"mz"	"KEGGID"	"Name"	"Formula"	"MonoisotopicMass"	"Adduct"	"AdductMass"
"802205"	18.0106	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M"	0
"979385"	-1.00779	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-H2O-H"	-19.01839
"77477"	10.9997906666667	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M-3H"	-3.021828
"515945"	17.003324	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M-3H"	-3.021828
"883907"	4.99625733333333	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-3H"	-3.021828
"2845"	17.003324	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M-2H"	-2.014552
"444230"	26.008624	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M-2H"	-2.014552
"823124"	7.998024	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-2H"	-2.014552
"88584"	35.013924	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M-H"	-1.007276
"520735"	53.024524	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M-H"	-1.007276
"903762"	17.003324	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-H"	-1.007276
"53766"	52.040471	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M-2H+NH4"	16.019271
"493324"	70.051071	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M-2H+NH4"	16.019271
"870034"	34.029871	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-2H+NH4"	16.019271
"39027"	56.995866	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M-2H+Na"	20.974666
"473848"	75.006466	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M-2H+Na"	20.974666
"850190"	38.985266	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-2H+Na"	20.974666
"1620575"	38.985266	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Na-2H"	20.974666
"96012"	34.991663	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M-H+Cl"	33.962126
"536903"	43.996963	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M-H+Cl"	33.962126
"933344"	25.986363	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-H+Cl"	33.962126
"268621"	70.990602	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+Cl"	34.969402
"662255"	89.001202	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+Cl"	34.969402
"1275630"	52.980002	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Cl"	34.969402
"18187"	72.969806	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M-2H+K"	36.948606
"457989"	90.980406	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M-2H+K"	36.948606
"834574"	54.959206	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-2H+K"	36.948606
"1559031"	54.959206	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+K-2H"	36.948606
"945827"	63.008794	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-H+HCOOH"	44.998194
"364405"	81.019401	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+HCOOH-H"	44.998201
"348654"	95.035051	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+Hac-H"	59.013851
"1497851"	77.024451	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Hac-H"	59.013851
"962111"	84.990751	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-H+NaCOOH"	66.980151
"116490"	52.980002	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+2Cl"	69.938804
"554592"	61.985302	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+2Cl"	69.938804
"1027400"	43.974702	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2Cl"	69.938804
"1246250"	96.929485	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Br"	78.918885
"1305781"	98.985472	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Cl+HCOOH"	80.974872
"1320725"	120.967429	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Cl+NaCOOH"	102.956829
"912150"	130.996186	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M-H+CF3COOH"	112.985586
"1289701"	166.972864	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Cl+CF3COOH"	148.962264
"1367987"	-17.002076	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H-2H2O"	-35.012676
"1386706"	1.0079	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H-H2O"	-17.0027
"284936"	37.028476	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+H"	1.007276
"676625"	55.039076	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+H"	1.007276
"1352610"	19.017876	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H"	1.007276
"128051"	19.017876	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+2H"	2.014552
"566882"	28.023176	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+2H"	2.014552
"1039690"	10.012576	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2H"	2.014552
"205640"	13.0143426666667	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+3H"	3.021828
"645697"	19.017876	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+3H"	3.021828
"1166007"	7.01080933333333	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+3H"	3.021828
"427820"	54.055023	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+NH4"	18.033823
"788453"	72.065623	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+NH4"	18.033823
"1684784"	36.044423	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+NH4"	18.033823
"331966"	27.5311495	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+H+NH4"	19.041099
"725490"	36.5364495	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+H+NH4"	19.041099
"1479307"	18.5258495	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H+NH4"	19.041099
"400178"	59.010418	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+Na"	22.989218
"760082"	77.021018	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+Na"	22.989218
"1611463"	40.999818	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Na"	22.989218
"328064"	30.008847	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+H+Na"	23.996494
"717204"	39.014147	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+H+Na"	23.996494
"1476701"	21.003547	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H+Na"	23.996494
"1063177"	14.3381233333333	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2H+Na"	25.00377
"1272435"	51.044086	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+CH3OH+H"	33.033486
"391332"	74.984358	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+K"	38.963158
"753919"	92.994958	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+K"	38.963158
"1555351"	56.973758	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+K"	38.963158
"312780"	37.995817	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+H+K"	39.970434
"704472"	47.001117	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+H+K"	39.970434
"1459385"	28.990517	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H+K"	39.970434
"247256"	78.055026	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+ACN+H"	42.033826
"1221058"	60.044426	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+ACN+H"	42.033826
"1201662"	30.525851	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+ACN+2H"	43.041102
"198903"	80.99236	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+2Na-H"	44.97116
"631903"	99.00296	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+2Na-H"	44.97116
"1135408"	62.98176	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2Na-H"	44.97116
"175541"	40.999818	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+2Na"	45.978436
"614248"	50.005118	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+2Na"	45.978436
"1119579"	31.994518	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2Na"	45.978436
"1409663"	21.6654373333333	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H+2Na"	46.985712
"1433033"	65.023346	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H+HCOOH"	47.012746
"222729"	46.03284	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+3H2O+2H"	56.04448
"1510790"	79.07539	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+IsoProp+H"	61.06479
"411934"	48.986788	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+Na+K"	61.952376
"772565"	57.992088	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+Na+K"	61.952376
"1668168"	39.981488	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Na+K"	61.952376
"255414"	100.036968	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+ACN+Na"	64.015768
"1230309"	82.026368	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+ACN+Na"	64.015768
"1717009"	82.049893	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+NH4+HCOOH"	64.039293
"1188937"	28.9927513333333	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+3Na"	68.967654
"1654455"	87.005288	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Na+HCOOH"	68.994688
"167882"	112.94024	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+2K-H"	76.91904
"608537"	130.95084	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+2K-H"	76.91904
"1091955"	94.92964	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2K-H"	76.91904
"148769"	56.973758	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"2M+2K"	77.926316
"590520"	65.979058	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"3M+2K"	77.926316
"1077219"	47.968458	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2K"	77.926316
"1107147"	96.944192	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2K+H"	78.933592
"1342440"	97.031807	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+DMSO+H"	79.021207
"1016438"	101.070976	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2ACN+H"	83.060376
"1537844"	102.064608	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+IsoProp+Na+H"	84.054008
"996638"	51.039126	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+2ACN+2H"	84.067652
"1594422"	102.979228	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+K+HCOOH"	84.968628
"1415709"	133.010738	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+H+CF3COOH"	115.000138
"1149278"	71.552401	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+3ACN+2H"	125.094202
"1703206"	150.037285	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+NH4+CF3COOH"	132.026685
"1641044"	154.99268	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+Na+CF3COOH"	136.98208
"1578880"	170.96662	"C00001"	"H2O;Water"	"H2O"	"18.0106"	"M+K+CF3COOH"	152.95602
"801991"	506.9957	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M"	0
"979495"	487.97731	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H2O-H"	-19.01839
"76494"	336.989857333333	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-3H"	-3.021828
"514961"	505.988424	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-3H"	-3.021828
"886205"	167.991290666667	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-3H"	-3.021828
"3686"	505.988424	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H"	-2.014552
"451995"	759.486274	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H"	-2.014552
"825422"	252.490574	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H"	-2.014552
"92949"	1012.984124	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-H"	-1.007276
"526070"	1519.979824	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-H"	-1.007276
"903872"	505.988424	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H"	-1.007276
"52783"	1030.010671	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+NH4"	16.019271
"493437"	1537.006371	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+NH4"	16.019271
"866865"	523.014971	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+NH4"	16.019271
"35859"	1034.966066	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+Na"	20.974666
"473351"	1541.961766	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+Na"	20.974666
"849691"	527.970366	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+Na"	20.974666
"1619103"	527.970366	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na-2H"	20.974666
"95878"	523.976763	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-H+Cl"	33.962126
"535684"	777.474613	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-H+Cl"	33.962126
"928230"	270.478913	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+Cl"	33.962126
"268852"	1048.960802	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Cl"	34.969402
"661513"	1555.956502	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Cl"	34.969402
"1275741"	541.965102	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl"	34.969402
"19390"	1050.940006	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+K"	36.948606
"459318"	1557.935706	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+K"	36.948606
"833832"	543.944306	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+K"	36.948606
"1559145"	543.944306	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K-2H"	36.948606
"947030"	551.993894	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+HCOOH"	44.998194
"364150"	1058.989601	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+HCOOH-H"	44.998201
"349493"	1073.005251	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Hac-H"	59.013851
"1497961"	566.009551	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Hac-H"	59.013851
"965504"	573.975851	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+NaCOOH"	66.980151
"114779"	541.965102	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Cl"	69.938804
"556526"	795.462952	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Cl"	69.938804
"1028603"	288.467252	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Cl"	69.938804
"1245631"	585.914585	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Br"	78.918885
"1304676"	587.970572	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+HCOOH"	80.974872
"1320836"	609.952529	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+NaCOOH"	102.956829
"911523"	619.981286	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+CF3COOH"	112.985586
"1288674"	655.957964	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+CF3COOH"	148.962264
"1367369"	471.983024	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H-2H2O"	-35.012676
"1386815"	489.993	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H-H2O"	-17.0027
"285775"	1014.998676	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H"	1.007276
"676856"	1521.994376	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H"	1.007276
"1352719"	508.002976	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H"	1.007276
"126944"	508.002976	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2H"	2.014552
"567234"	761.500826	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2H"	2.014552
"1038220"	254.505126	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2H"	2.014552
"204900"	339.004409333333	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+3H"	3.021828
"646536"	508.002976	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+3H"	3.021828
"1165023"	170.005842666667	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3H"	3.021828
"425380"	1032.025223	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+NH4"	18.033823
"787470"	1539.020923	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+NH4"	18.033823
"1683803"	525.029523	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4"	18.033823
"331350"	516.5162495	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+NH4"	19.041099
"723287"	770.0140995	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+NH4"	19.041099
"1477109"	263.0183995	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+NH4"	19.041099
"399195"	1036.980618	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Na"	22.989218
"759099"	1543.976318	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Na"	22.989218
"1610479"	529.984918	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na"	22.989218
"323800"	518.993947	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+Na"	23.996494
"712939"	772.491797	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+Na"	23.996494
"1475270"	265.496097	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+Na"	23.996494
"1066568"	177.333156666667	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2H+Na"	25.00377
"1271529"	540.029186	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+CH3OH+H"	33.033486
"390105"	1052.954558	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+K"	38.963158
"751108"	1559.950258	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+K"	38.963158
"1554619"	545.958858	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K"	38.963158
"312521"	526.980917	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+K"	39.970434
"706160"	780.478767	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+K"	39.970434
"1458765"	273.483067	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+K"	39.970434
"248459"	1056.025226	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+ACN+H"	42.033826
"1218981"	549.029526	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+H"	42.033826
"1201769"	275.018401	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+2H"	43.041102
"194641"	1058.96256	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Na-H"	44.97116
"630920"	1565.95826	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Na-H"	44.97116
"1135519"	551.96686	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Na-H"	44.97116
"175531"	529.984918	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Na"	45.978436
"613872"	783.482768	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Na"	45.978436
"1116282"	276.487068	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Na"	45.978436
"1403214"	184.660470666667	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+2Na"	46.985712
"1432172"	554.008446	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+HCOOH"	47.012746
"228306"	535.01794	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+3H2O+2H"	56.04448
"1512359"	568.06049	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+IsoProp+H"	61.06479
"411680"	537.971888	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Na+K"	61.952376
"772675"	791.469738	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Na+K"	61.952376
"1669005"	284.474038	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+K"	61.952376
"253338"	1078.007168	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+ACN+Na"	64.015768
"1231512"	571.011468	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+Na"	64.015768
"1716026"	571.034993	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4+HCOOH"	64.039293
"1189047"	191.987784666667	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3Na"	68.967654
"1653472"	575.990388	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+HCOOH"	68.994688
"170177"	1090.91044	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2K-H"	76.91904
"609740"	1597.90614	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2K-H"	76.91904
"1094251"	583.91474	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K-H"	76.91904
"154350"	545.958858	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2K"	77.926316
"592816"	799.456708	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2K"	77.926316
"1078423"	292.461008	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K"	77.926316
"1107257"	585.929292	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K+H"	78.933592
"1343644"	586.016907	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+DMSO+H"	79.021207
"1015454"	590.056076	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2ACN+H"	83.060376
"1535767"	591.049708	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+IsoProp+Na+H"	84.054008
"996747"	295.531676	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2ACN+2H"	84.067652
"1595627"	591.964328	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K+HCOOH"	84.968628
"1414604"	621.995838	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+CF3COOH"	115.000138
"1147283"	316.044951	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3ACN+2H"	125.094202
"1705503"	639.022385	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4+CF3COOH"	132.026685
"1647350"	643.97778	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+CF3COOH"	136.98208
"1578990"	659.95172	"C00002"	"ATP;Adenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K+CF3COOH"	152.95602
"802793"	664.1169	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M"	0
"979605"	645.09851	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-H2O-H"	-19.01839
"71135"	441.737324	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M-3H"	-3.021828
"512883"	663.109624	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M-3H"	-3.021828
"893970"	220.365024	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-3H"	-3.021828
"11452"	663.109624	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M-2H"	-2.014552
"455022"	995.168074	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M-2H"	-2.014552
"832094"	331.051174	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-2H"	-2.014552
"92816"	1327.226524	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M-H"	-1.007276
"529460"	1991.343424	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M-H"	-1.007276
"905075"	663.109624	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-H"	-1.007276
"53986"	1344.253071	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M-2H+NH4"	16.019271
"495732"	2008.369971	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M-2H+NH4"	16.019271
"866976"	680.136171	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-2H+NH4"	16.019271
"42530"	1349.208466	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M-2H+Na"	20.974666
"473341"	2013.325366	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M-2H+Na"	20.974666
"849927"	685.091566	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-2H+Na"	20.974666
"1619948"	685.091566	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Na-2H"	20.974666
"95503"	681.097963	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M-H+Cl"	33.962126
"538954"	1013.156413	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M-H+Cl"	33.962126
"928217"	349.039513	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-H+Cl"	33.962126
"271029"	1363.203202	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+Cl"	34.969402
"661626"	2027.320102	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+Cl"	34.969402
"1275851"	699.086302	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Cl"	34.969402
"20594"	1365.182406	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M-2H+K"	36.948606
"460521"	2029.299306	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M-2H+K"	36.948606
"837230"	701.065506	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-2H+K"	36.948606
"1557802"	701.065506	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+K-2H"	36.948606
"944102"	709.115094	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-H+HCOOH"	44.998194
"362922"	1373.232001	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+HCOOH-H"	44.998201
"350697"	1387.247651	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+Hac-H"	59.013851
"1497344"	723.130751	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Hac-H"	59.013851
"963425"	731.097051	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-H+NaCOOH"	66.980151
"114160"	699.086302	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+2Cl"	69.938804
"557000"	1031.144752	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+2Cl"	69.938804
"1028713"	367.027852	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2Cl"	69.938804
"1246470"	743.035785	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Br"	78.918885
"1306731"	745.091772	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Cl+HCOOH"	80.974872
"1320946"	767.073729	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Cl+NaCOOH"	102.956829
"912369"	777.102486	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M-H+CF3COOH"	112.985586
"1289072"	813.079164	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Cl+CF3COOH"	148.962264
"1367240"	629.104224	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H-2H2O"	-35.012676
"1384737"	647.1142	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H-H2O"	-17.0027
"285153"	1329.241076	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+H"	1.007276
"676965"	1993.357976	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+H"	1.007276
"1351612"	665.124176	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H"	1.007276
"126689"	665.124176	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+2H"	2.014552
"567102"	997.182626	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+2H"	2.014552
"1038818"	333.065726	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2H"	2.014552
"204310"	443.751876	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+3H"	3.021828
"645917"	665.124176	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+3H"	3.021828
"1164405"	222.379576	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+3H"	3.021828
"425494"	1346.267623	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+NH4"	18.033823
"787584"	2010.384523	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+NH4"	18.033823
"1681562"	682.150723	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+NH4"	18.033823
"330122"	673.6374495	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+H+NH4"	19.041099
"723158"	1005.6958995	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+H+NH4"	19.041099
"1477336"	341.5789995	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H+NH4"	19.041099
"399305"	1351.223018	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+Na"	22.989218
"761396"	2015.339918	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+Na"	22.989218
"1611683"	687.106118	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Na"	22.989218
"325002"	676.115147	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+H+Na"	23.996494
"713049"	1008.173597	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+H+Na"	23.996494
"1474407"	344.056697	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H+Na"	23.996494
"1066557"	229.70689	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2H+Na"	25.00377
"1270547"	697.150386	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+CH3OH+H"	33.033486
"390215"	1367.196958	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+K"	38.963158
"752676"	2031.313858	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+K"	38.963158
"1554245"	703.080058	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+K"	38.963158
"313602"	684.102117	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+H+K"	39.970434
"706148"	1016.160567	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+H+K"	39.970434
"1461064"	352.043667	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H+K"	39.970434
"248566"	1370.267626	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+ACN+H"	42.033826
"1223462"	706.150726	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+ACN+H"	42.033826
"1204066"	353.579001	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+ACN+2H"	43.041102
"194750"	1373.20496	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+2Na-H"	44.97116
"632124"	2037.32186	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+2Na-H"	44.97116
"1136723"	709.08806	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2Na-H"	44.97116
"175641"	687.106118	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+2Na"	45.978436
"613417"	1019.164568	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+2Na"	45.978436
"1116274"	355.047668	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2Na"	45.978436
"1403324"	237.034204	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H+2Na"	46.985712
"1430823"	711.129646	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H+HCOOH"	47.012746
"227322"	692.13914	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+3H2O+2H"	56.04448
"1509918"	725.18169	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+IsoProp+H"	61.06479
"413975"	695.093088	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+Na+K"	61.952376
"770599"	1027.151538	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+Na+K"	61.952376
"1669115"	363.034638	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Na+K"	61.952376
"252355"	1392.249568	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+ACN+Na"	64.015768
"1228343"	728.132668	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+ACN+Na"	64.015768
"1716136"	728.156193	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+NH4+HCOOH"	64.039293
"1189156"	244.361518	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+3Na"	68.967654
"1654675"	733.111588	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Na+HCOOH"	68.994688
"170287"	1405.15284	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+2K-H"	76.91904
"610943"	2069.26974	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+2K-H"	76.91904
"1095454"	741.03594	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2K-H"	76.91904
"147899"	703.080058	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"2M+2K"	77.926316
"591832"	1035.138508	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"3M+2K"	77.926316
"1079627"	371.021608	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2K"	77.926316
"1106276"	743.050492	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2K+H"	78.933592
"1339380"	743.138107	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+DMSO+H"	79.021207
"1012285"	747.177276	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2ACN+H"	83.060376
"1531503"	748.170908	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+IsoProp+Na+H"	84.054008
"995767"	374.092276	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+2ACN+2H"	84.067652
"1589904"	749.085528	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+K+HCOOH"	84.968628
"1417025"	779.117038	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+H+CF3COOH"	115.000138
"1149500"	394.605551	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+3ACN+2H"	125.094202
"1705613"	796.143585	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+NH4+CF3COOH"	132.026685
"1646731"	801.09898	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+Na+CF3COOH"	136.98208
"1579100"	817.07292	"C00003"	"NAD;NAD;Nicotinamide adenine dinucleotide;DPN;Diphosphopyridine nucleotide;Nadide;beta-NAD"	"C21H28N7O14P2"	"664.1169"	"M+K+CF3COOH"	152.95602
"801849"	665.1248	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M"	0
"979715"	646.10641	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-H2O-H"	-19.01839
"71245"	442.409257333333	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M-3H"	-3.021828
"514086"	664.117524	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M-3H"	-3.021828
"889705"	220.700990666667	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-3H"	-3.021828
"11561"	664.117524	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M-2H"	-2.014552
"448934"	996.679924	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M-2H"	-2.014552
"830017"	331.555124	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-2H"	-2.014552
"91831"	1329.242324	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M-H"	-1.007276
"526289"	1994.367124	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M-H"	-1.007276
"907371"	664.117524	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-H"	-1.007276
"51909"	1346.268871	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M-2H+NH4"	16.019271
"491468"	2011.393671	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M-2H+NH4"	16.019271
"868177"	681.144071	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-2H+NH4"	16.019271
"32798"	1351.224266	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M-2H+Na"	20.974666
"473451"	2016.349066	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M-2H+Na"	20.974666
"849795"	686.099466	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-2H+Na"	20.974666
"1619327"	686.099466	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Na-2H"	20.974666
"94595"	682.105863	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M-H+Cl"	33.962126
"539064"	1014.668263	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M-H+Cl"	33.962126
"928934"	349.543463	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-H+Cl"	33.962126
"267490"	1365.219002	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+Cl"	34.969402
"661006"	2030.343802	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+Cl"	34.969402
"1274138"	700.094202	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Cl"	34.969402
"18517"	1367.198206	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M-2H+K"	36.948606
"458444"	2032.323006	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M-2H+K"	36.948606
"835517"	702.073406	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-2H+K"	36.948606
"1559005"	702.073406	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+K-2H"	36.948606
"945428"	710.122994	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-H+HCOOH"	44.998194
"361692"	1375.247801	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+HCOOH-H"	44.998201
"347526"	1389.263451	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+Hac-H"	59.013851
"1495994"	724.138651	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Hac-H"	59.013851
"962443"	732.104951	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-H+NaCOOH"	66.980151
"113174"	700.094202	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+2Cl"	69.938804
"552006"	1032.656602	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+2Cl"	69.938804
"1024084"	367.531802	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2Cl"	69.938804
"1245486"	744.043685	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Br"	78.918885
"1305014"	746.099672	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Cl+HCOOH"	80.974872
"1322149"	768.081629	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Cl+NaCOOH"	102.956829
"911656"	778.110386	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M-H+CF3COOH"	112.985586
"1288893"	814.087064	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Cl+CF3COOH"	148.962264
"1367415"	630.112124	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H-2H2O"	-35.012676
"1382887"	648.1221	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H-H2O"	-17.0027
"283180"	1331.256876	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+H"	1.007276
"676097"	1996.381676	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+H"	1.007276
"1351586"	666.132076	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H"	1.007276
"126138"	666.132076	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+2H"	2.014552
"567212"	998.694476	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+2H"	2.014552
"1037832"	333.569676	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2H"	2.014552
"204629"	444.423809333333	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+3H"	3.021828
"646026"	666.132076	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+3H"	3.021828
"1163050"	222.715542666667	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+3H"	3.021828
"427788"	1348.283423	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+NH4"	18.033823
"787693"	2013.408223	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+NH4"	18.033823
"1683292"	683.158623	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+NH4"	18.033823
"332300"	674.6453495	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+H+NH4"	19.041099
"723507"	1007.2077495	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+H+NH4"	19.041099
"1478783"	342.0829495	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H+NH4"	19.041099
"395040"	1353.238818	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+Na"	22.989218
"761505"	2018.363618	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+Na"	22.989218
"1613979"	688.114018	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Na"	22.989218
"324018"	677.123047	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+H+Na"	23.996494
"714252"	1009.685447	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+H+Na"	23.996494
"1474638"	344.560647	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H+Na"	23.996494
"1066546"	230.042856666667	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2H+Na"	25.00377
"1268468"	698.158286	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+CH3OH+H"	33.033486
"391054"	1369.212758	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+K"	38.963158
"752052"	2034.337558	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+K"	38.963158
"1551189"	704.087958	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+K"	38.963158
"313956"	685.110017	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+H+K"	39.970434
"705164"	1017.672417	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+H+K"	39.970434
"1456795"	352.547617	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H+K"	39.970434
"245396"	1372.283426	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+ACN+H"	42.033826
"1217012"	707.158626	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+ACN+H"	42.033826
"1203083"	354.082951	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+ACN+2H"	43.041102
"192674"	1375.22076	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+2Na-H"	44.97116
"631141"	2040.34556	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+2Na-H"	44.97116
"1134645"	710.09596	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2Na-H"	44.97116
"175751"	688.114018	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+2Na"	45.978436
"614217"	1020.676418	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+2Na"	45.978436
"1115670"	355.551618	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2Na"	45.978436
"1399181"	237.370170666667	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H+2Na"	46.985712
"1431539"	712.137546	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H+HCOOH"	47.012746
"223059"	693.14704	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+3H2O+2H"	56.04448
"1510390"	726.18959	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+IsoProp+H"	61.06479
"415178"	696.100988	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+Na+K"	61.952376
"770341"	1028.663388	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+Na+K"	61.952376
"1668132"	363.538588	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Na+K"	61.952376
"252821"	1394.265368	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+ACN+Na"	64.015768
"1228813"	729.140568	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+ACN+Na"	64.015768
"1714058"	729.164093	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+NH4+HCOOH"	64.039293
"1189266"	244.697484666667	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+3Na"	68.967654
"1654785"	734.119488	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Na+HCOOH"	68.994688
"170396"	1407.16864	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+2K-H"	76.91904
"609959"	2072.29344	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+2K-H"	76.91904
"1095564"	742.04384	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2K-H"	76.91904
"148009"	704.087958	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"2M+2K"	77.926316
"589756"	1036.650358	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"3M+2K"	77.926316
"1077549"	371.525558	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2K"	77.926316
"1104927"	744.058392	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2K+H"	78.933592
"1339854"	744.146007	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+DMSO+H"	79.021207
"1011302"	748.185176	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2ACN+H"	83.060376
"1532706"	749.178808	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+IsoProp+Na+H"	84.054008
"996970"	374.596226	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+2ACN+2H"	84.067652
"1588554"	750.093428	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+K+HCOOH"	84.968628
"1418228"	780.124938	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+H+CF3COOH"	115.000138
"1148517"	395.109501	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+3ACN+2H"	125.094202
"1705723"	797.151485	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+NH4+CF3COOH"	132.026685
"1647934"	802.10688	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+Na+CF3COOH"	136.98208
"1579210"	818.08082	"C00004"	"NADH;DPNH;Reduced nicotinamide adenine dinucleotide"	"C21H29N7O14P2"	"665.1248"	"M+K+CF3COOH"	152.95602
"803013"	745.0911	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M"	0
"979825"	726.07271	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-H2O-H"	-19.01839
"71355"	495.720124	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M-3H"	-3.021828
"514196"	744.083824	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M-3H"	-3.021828
"889816"	247.356424	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-3H"	-3.021828
"6204"	744.083824	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M-2H"	-2.014552
"449044"	1116.629374	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M-2H"	-2.014552
"827940"	371.538274	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-2H"	-2.014552
"89025"	1489.174924	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M-H"	-1.007276
"525306"	2234.266024	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M-H"	-1.007276
"906388"	744.083824	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-H"	-1.007276
"48739"	1506.201471	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M-2H+NH4"	16.019271
"490485"	2251.292571	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M-2H+NH4"	16.019271
"865370"	761.110371	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-2H+NH4"	16.019271
"32420"	1511.156866	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M-2H+Na"	20.974666
"471585"	2256.247966	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M-2H+Na"	20.974666
"849541"	766.065766	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-2H+Na"	20.974666
"1618581"	766.065766	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Na-2H"	20.974666
"94298"	762.072163	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M-H+Cl"	33.962126
"535894"	1134.617713	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M-H+Cl"	33.962126
"928680"	389.526613	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-H+Cl"	33.962126
"269788"	1525.151602	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+Cl"	34.969402
"660791"	2270.242702	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+Cl"	34.969402
"1274005"	780.060502	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Cl"	34.969402
"17897"	1527.130806	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M-2H+K"	36.948606
"458554"	2272.221906	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M-2H+K"	36.948606
"836720"	782.039706	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-2H+K"	36.948606
"1559479"	782.039706	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+K-2H"	36.948606
"944809"	790.089294	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-H+HCOOH"	44.998194
"361434"	1535.180401	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+HCOOH-H"	44.998201
"346013"	1549.196051	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+Hac-H"	59.013851
"1495011"	804.104951	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Hac-H"	59.013851
"960730"	812.071251	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-H+NaCOOH"	66.980151
"113649"	780.060502	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+2Cl"	69.938804
"552480"	1152.606052	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+2Cl"	69.938804
"1024194"	407.514952	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2Cl"	69.938804
"1243773"	824.009985	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Br"	78.918885
"1304517"	826.065972	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Cl+HCOOH"	80.974872
"1322988"	848.047929	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Cl+NaCOOH"	102.956829
"911732"	858.076686	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M-H+CF3COOH"	112.985586
"1289048"	894.053364	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Cl+CF3COOH"	148.962264
"1367095"	710.078424	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H-2H2O"	-35.012676
"1384466"	728.0884	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H-H2O"	-17.0027
"283088"	1491.189476	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+H"	1.007276
"676452"	2236.280576	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+H"	1.007276
"1351868"	746.098376	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H"	1.007276
"127269"	746.098376	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+2H"	2.014552
"566345"	1118.643926	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+2H"	2.014552
"1037939"	373.552826	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2H"	2.014552
"204867"	497.734676	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+3H"	3.021828
"646498"	746.098376	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+3H"	3.021828
"1164256"	249.370976	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+3H"	3.021828
"426808"	1508.216023	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+NH4"	18.033823
"787801"	2253.307123	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+NH4"	18.033823
"1686318"	763.124923	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+NH4"	18.033823
"333504"	754.6116495	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+H+NH4"	19.041099
"725196"	1127.1571995	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+H+NH4"	19.041099
"1478283"	382.0660995	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H+NH4"	19.041099
"395150"	1513.171418	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+Na"	22.989218
"762709"	2258.262518	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+Na"	22.989218
"1614089"	768.080318	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Na"	22.989218
"326315"	757.089347	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+H+Na"	23.996494
"715455"	1129.634897	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+H+Na"	23.996494
"1475599"	384.543797	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H+Na"	23.996494
"1068236"	256.69829	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2H+Na"	25.00377
"1267485"	778.124586	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+CH3OH+H"	33.033486
"388248"	1529.145358	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+K"	38.963158
"748152"	2274.236458	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+K"	38.963158
"1549113"	784.054258	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+K"	38.963158
"311756"	765.076317	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+H+K"	39.970434
"704179"	1137.621867	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+H+K"	39.970434
"1457998"	392.530767	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H+K"	39.970434
"240038"	1532.216026	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+ACN+H"	42.033826
"1219309"	787.124926	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+ACN+H"	42.033826
"1203193"	394.066101	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+ACN+2H"	43.041102
"192784"	1535.15336	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+2Na-H"	44.97116
"630522"	2280.24446	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+2Na-H"	44.97116
"1135119"	790.06226	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2Na-H"	44.97116
"175861"	768.080318	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+2Na"	45.978436
"614691"	1140.625868	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+2Na"	45.978436
"1118197"	395.534768	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2Na"	45.978436
"1400992"	264.025604	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H+2Na"	46.985712
"1430311"	792.103846	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H+HCOOH"	47.012746
"223169"	773.11334	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+3H2O+2H"	56.04448
"1509163"	806.15589	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+IsoProp+H"	61.06479
"413101"	776.067288	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+Na+K"	61.952376
"770816"	1148.612838	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+Na+K"	61.952376
"1668239"	403.521738	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Na+K"	61.952376
"252569"	1554.197968	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+ACN+Na"	64.015768
"1227099"	809.106868	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+ACN+Na"	64.015768
"1714290"	809.130393	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+NH4+HCOOH"	64.039293
"1186097"	271.352918	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+3Na"	68.967654
"1653802"	814.085788	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Na+HCOOH"	68.994688
"170506"	1567.10124	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+2K-H"	76.91904
"607883"	2312.19234	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+2K-H"	76.91904
"1096768"	822.01014	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2K-H"	76.91904
"149212"	784.054258	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"2M+2K"	77.926316
"590959"	1156.599808	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"3M+2K"	77.926316
"1078753"	411.508708	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2K"	77.926316
"1104309"	824.024692	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2K+H"	78.933592
"1340692"	824.112307	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+DMSO+H"	79.021207
"1011412"	828.151476	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2ACN+H"	83.060376
"1531721"	829.145108	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+IsoProp+Na+H"	84.054008
"992705"	414.579376	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+2ACN+2H"	84.067652
"1588665"	830.059728	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+K+HCOOH"	84.968628
"1417245"	860.091238	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+H+CF3COOH"	115.000138
"1147534"	435.092651	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+3ACN+2H"	125.094202
"1706926"	877.117785	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+NH4+CF3COOH"	132.026685
"1648044"	882.07318	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+Na+CF3COOH"	136.98208
"1579320"	898.04712	"C00005"	"NADPH;TPNH;Reduced nicotinamide adenine dinucleotide phosphate"	"C21H30N7O17P3"	"745.0911"	"M+K+CF3COOH"	152.95602
"809683"	744.0833	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M"	0
"979935"	725.06491	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-H2O-H"	-19.01839
"72558"	495.048257333333	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M-3H"	-3.021828
"516128"	743.076024	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M-3H"	-3.021828
"889925"	247.020490666667	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-3H"	-3.021828
"5220"	743.076024	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M-2H"	-2.014552
"450247"	1115.117674	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M-2H"	-2.014552
"825863"	371.034374	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-2H"	-2.014552
"85853"	1487.159324	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M-H"	-1.007276
"525416"	2231.242624	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M-H"	-1.007276
"904311"	743.076024	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-H"	-1.007276
"52128"	1504.185871	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M-2H+NH4"	16.019271
"492782"	2248.269171	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M-2H+NH4"	16.019271
"870584"	760.102571	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-2H+NH4"	16.019271
"38485"	1509.141266	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M-2H+Na"	20.974666
"476951"	2253.224566	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M-2H+Na"	20.974666
"849893"	765.057966	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-2H+Na"	20.974666
"1619181"	765.057966	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Na-2H"	20.974666
"94616"	761.064363	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M-H+Cl"	33.962126
"537097"	1133.106013	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M-H+Cl"	33.962126
"929883"	389.022713	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-H+Cl"	33.962126
"269898"	1523.136002	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+Cl"	34.969402
"660982"	2267.219302	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+Cl"	34.969402
"1273994"	779.052702	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Cl"	34.969402
"16791"	1525.115206	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M-2H+K"	36.948606
"459757"	2269.198506	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M-2H+K"	36.948606
"837923"	781.031906	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-2H+K"	36.948606
"1560318"	781.031906	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+K-2H"	36.948606
"945648"	789.081494	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-H+HCOOH"	44.998194
"362403"	1533.164801	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+HCOOH-H"	44.998201
"346405"	1547.180451	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+Hac-H"	59.013851
"1495121"	803.097151	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Hac-H"	59.013851
"959258"	811.063451	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-H+NaCOOH"	66.980151
"114123"	779.052702	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+2Cl"	69.938804
"554412"	1151.094352	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+2Cl"	69.938804
"1025033"	407.011052	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2Cl"	69.938804
"1241693"	823.002185	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Br"	78.918885
"1304627"	825.058172	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Cl+HCOOH"	80.974872
"1323098"	847.040129	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Cl+NaCOOH"	102.956829
"911558"	857.068886	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M-H+CF3COOH"	112.985586
"1288471"	893.045564	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Cl+CF3COOH"	148.962264
"1367192"	709.070624	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H-2H2O"	-35.012676
"1382906"	727.0806	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H-H2O"	-17.0027
"283003"	1489.173876	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+H"	1.007276
"675911"	2233.257176	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+H"	1.007276
"1351328"	745.090576	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H"	1.007276
"125783"	745.090576	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+2H"	2.014552
"565845"	1117.132226	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+2H"	2.014552
"1037066"	373.048926	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2H"	2.014552
"204338"	497.062809333333	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+3H"	3.021828
"645149"	745.090576	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+3H"	3.021828
"1164001"	249.035042666667	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+3H"	3.021828
"425825"	1506.200423	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+NH4"	18.033823
"787910"	2250.283723	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+NH4"	18.033823
"1683876"	762.117123	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+NH4"	18.033823
"332155"	753.6038495	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+H+NH4"	19.041099
"723603"	1125.6454995	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+H+NH4"	19.041099
"1477785"	381.5621995	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H+NH4"	19.041099
"395260"	1511.155818	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+Na"	22.989218
"759538"	2255.239118	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+Na"	22.989218
"1614198"	767.072518	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Na"	22.989218
"326425"	756.081547	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+H+Na"	23.996494
"716658"	1128.123197	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+H+Na"	23.996494
"1475952"	384.039897	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H+Na"	23.996494
"1067738"	256.362356666667	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2H+Na"	25.00377
"1268688"	777.116786	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+CH3OH+H"	33.033486
"390545"	1527.129758	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+K"	38.963158
"752635"	2271.213058	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+K"	38.963158
"1551406"	783.046458	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+K"	38.963158
"311497"	764.068517	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+H+K"	39.970434
"705992"	1136.110167	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+H+K"	39.970434
"1457015"	392.026867	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H+K"	39.970434
"241241"	1530.200426	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+ACN+H"	42.033826
"1220512"	786.117126	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+ACN+H"	42.033826
"1206583"	393.562201	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+ACN+2H"	43.041102
"196174"	1533.13776	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+2Na-H"	44.97116
"635735"	2277.22106	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+2Na-H"	44.97116
"1135960"	789.05446	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2Na-H"	44.97116
"182532"	767.072518	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+2Na"	45.978436
"618811"	1139.114168	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+2Na"	45.978436
"1121224"	395.030868	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2Na"	45.978436
"1405841"	263.689670666667	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H+2Na"	46.985712
"1435771"	791.096046	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H+HCOOH"	47.012746
"229839"	772.10554	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+3H2O+2H"	56.04448
"1510248"	805.14809	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+IsoProp+H"	61.06479
"414307"	775.059488	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+Na+K"	61.952376
"770804"	1147.101138	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+Na+K"	61.952376
"1666408"	403.017838	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Na+K"	61.952376
"253047"	1552.182368	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+ACN+Na"	64.015768
"1226484"	808.099068	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+ACN+Na"	64.015768
"1714036"	808.122593	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+NH4+HCOOH"	64.039293
"1186207"	271.016984666667	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+3Na"	68.967654
"1653912"	813.077988	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Na+HCOOH"	68.994688
"171710"	1565.08564	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+2K-H"	76.91904
"611272"	2309.16894	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+2K-H"	76.91904
"1099310"	821.00234	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2K-H"	76.91904
"152601"	783.046458	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"2M+2K"	77.926316
"596172"	1155.088108	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"3M+2K"	77.926316
"1083118"	411.004808	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2K"	77.926316
"1106605"	823.016892	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2K+H"	78.933592
"1342990"	823.104507	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+DMSO+H"	79.021207
"1010428"	827.143676	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2ACN+H"	83.060376
"1529645"	828.137308	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+IsoProp+Na+H"	84.054008
"990870"	414.075476	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+2ACN+2H"	84.067652
"1588533"	829.051928	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+K+HCOOH"	84.968628
"1417355"	859.083438	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+H+CF3COOH"	115.000138
"1148737"	434.588751	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+3ACN+2H"	125.094202
"1703756"	876.109985	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+NH4+CF3COOH"	132.026685
"1644874"	881.06538	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+Na+CF3COOH"	136.98208
"1579430"	897.03932	"C00006"	"NADP;NADP;Nicotinamide adenine dinucleotide phosphate;beta-Nicotinamide adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;beta-NADP"	"C21H29N7O17P3"	"744.0833"	"M+K+CF3COOH"	152.95602
"802139"	31.9898	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M"	0
"976765"	12.97141	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-H2O-H"	-19.01839
"73761"	20.3192573333333	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M-3H"	-3.021828
"515509"	30.982524	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M-3H"	-3.021828
"891128"	9.65599066666667	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-3H"	-3.021828
"7516"	30.982524	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M-2H"	-2.014552
"451450"	46.977424	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M-2H"	-2.014552
"825973"	14.987624	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-2H"	-2.014552
"84870"	62.972324	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M-H"	-1.007276
"526619"	94.962124	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M-H"	-1.007276
"907701"	30.982524	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-H"	-1.007276
"55518"	79.998871	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M-2H+NH4"	16.019271
"491798"	111.988671	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M-2H+NH4"	16.019271
"868506"	48.009071	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-2H+NH4"	16.019271
"33611"	84.954266	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M-2H+Na"	20.974666
"473902"	116.944066	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M-2H+Na"	20.974666
"848743"	52.964466	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-2H+Na"	20.974666
"1618800"	52.964466	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Na-2H"	20.974666
"94479"	48.970863	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M-H+Cl"	33.962126
"535138"	64.965763	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M-H+Cl"	33.962126
"928536"	32.975963	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-H+Cl"	33.962126
"269644"	98.949002	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+Cl"	34.969402
"661820"	130.938802	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+Cl"	34.969402
"1275197"	66.959202	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Cl"	34.969402
"16901"	100.928206	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M-2H+K"	36.948606
"461689"	132.918006	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M-2H+K"	36.948606
"839855"	68.938406	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-2H+K"	36.948606
"1560062"	68.938406	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+K-2H"	36.948606
"944299"	76.987994	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-H+HCOOH"	44.998194
"362148"	108.977801	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+HCOOH-H"	44.998201
"345877"	122.993451	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+Hac-H"	59.013851
"1493281"	91.003651	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Hac-H"	59.013851
"958883"	98.969951	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-H+NaCOOH"	66.980151
"113139"	66.959202	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+2Cl"	69.938804
"552699"	82.954102	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+2Cl"	69.938804
"1025143"	50.964302	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2Cl"	69.938804
"1242290"	110.908685	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Br"	78.918885
"1304856"	112.964672	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Cl+HCOOH"	80.974872
"1322477"	134.946629	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Cl+NaCOOH"	102.956829
"911750"	144.975386	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M-H+CF3COOH"	112.985586
"1289148"	180.952064	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Cl+CF3COOH"	148.962264
"1367380"	-3.022876	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H-2H2O"	-35.012676
"1382972"	14.9871	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H-H2O"	-17.0027
"282867"	64.986876	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+H"	1.007276
"675776"	96.976676	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+H"	1.007276
"1351378"	32.997076	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H"	1.007276
"126153"	32.997076	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+2H"	2.014552
"566321"	48.991976	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+2H"	2.014552
"1037073"	17.002176	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2H"	2.014552
"204377"	22.3338093333333	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+3H"	3.021828
"644896"	32.997076	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+3H"	3.021828
"1164113"	11.6705426666667	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+3H"	3.021828
"424355"	82.013423	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+NH4"	18.033823
"786926"	114.003223	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+NH4"	18.033823
"1682892"	50.023623	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+NH4"	18.033823
"330808"	41.5103495	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+H+NH4"	19.041099
"723594"	57.5052495	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+H+NH4"	19.041099
"1477288"	25.5154495	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H+NH4"	19.041099
"393222"	86.968818	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+Na"	22.989218
"759648"	118.958618	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+Na"	22.989218
"1615401"	54.979018	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Na"	22.989218
"327628"	43.988047	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+H+Na"	23.996494
"717861"	59.982947	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+H+Na"	23.996494
"1476758"	27.993147	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H+Na"	23.996494
"1067848"	18.9978566666667	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2H+Na"	25.00377
"1269891"	65.023286	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+CH3OH+H"	33.033486
"390655"	102.942758	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+K"	38.963158
"750559"	134.932558	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+K"	38.963158
"1552612"	70.952958	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+K"	38.963158
"313434"	51.975017	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+H+K"	39.970434
"703304"	67.969917	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+H+K"	39.970434
"1458217"	35.980117	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H+K"	39.970434
"240258"	106.013426	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+ACN+H"	42.033826
"1221716"	74.023626	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+ACN+H"	42.033826
"1205599"	37.515451	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+ACN+2H"	43.041102
"195191"	108.95076	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+2Na-H"	44.97116
"635845"	140.94056	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+2Na-H"	44.97116
"1137163"	76.96096	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2Na-H"	44.97116
"182642"	54.979018	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+2Na"	45.978436
"620015"	70.973918	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+2Na"	45.978436
"1120242"	38.984118	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2Na"	45.978436
"1403765"	26.3251706666667	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H+2Na"	46.985712
"1431262"	79.002546	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H+HCOOH"	47.012746
"223390"	60.01204	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+3H2O+2H"	56.04448
"1509630"	93.05459	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+IsoProp+H"	61.06479
"412231"	62.965988	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+Na+K"	61.952376
"770253"	78.960888	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+Na+K"	61.952376
"1666149"	46.971088	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Na+K"	61.952376
"251516"	127.995368	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+ACN+Na"	64.015768
"1226351"	96.005568	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+ACN+Na"	64.015768
"1713538"	96.029093	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+NH4+HCOOH"	64.039293
"1189596"	33.6524846666667	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+3Na"	68.967654
"1655115"	100.984488	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Na+HCOOH"	68.994688
"172433"	140.89864	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+2K-H"	76.91904
"611381"	172.88844	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+2K-H"	76.91904
"1098690"	108.90884	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2K-H"	76.91904
"152711"	70.952958	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"2M+2K"	77.926316
"595552"	86.947858	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"3M+2K"	77.926316
"1083226"	54.958058	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2K"	77.926316
"1112181"	110.923392	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2K+H"	78.933592
"1343099"	111.011007	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+DMSO+H"	79.021207
"1014910"	115.050176	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2ACN+H"	83.060376
"1530849"	116.043808	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+IsoProp+Na+H"	84.054008
"990980"	58.028726	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+2ACN+2H"	84.067652
"1591072"	116.958428	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+K+HCOOH"	84.968628
"1419652"	146.989938	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+H+CF3COOH"	115.000138
"1148847"	78.542001	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+3ACN+2H"	125.094202
"1707146"	164.016485	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+NH4+CF3COOH"	132.026685
"1644984"	168.97188	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+Na+CF3COOH"	136.98208
"1579540"	184.94582	"C00007"	"Oxygen;O2"	"O2"	"31.9898"	"M+K+CF3COOH"	152.95602
"801671"	427.0294	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M"	0
"976875"	408.01101	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H2O-H"	-19.01839
"72780"	283.678990666667	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-3H"	-3.021828
"515619"	426.022124	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-3H"	-3.021828
"884677"	141.335857333333	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-3H"	-3.021828
"5439"	426.022124	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H"	-2.014552
"453749"	639.536824	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H"	-2.014552
"822803"	212.507424	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H"	-2.014552
"86075"	853.051524	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H"	-1.007276
"526729"	1280.080924	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H"	-1.007276
"907447"	426.022124	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H"	-1.007276
"50162"	870.078071	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+NH4"	16.019271
"488870"	1297.107471	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+NH4"	16.019271
"865090"	443.048671	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+NH4"	16.019271
"31653"	875.033466	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+Na"	20.974666
"472916"	1302.062866	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+Na"	20.974666
"848650"	448.004066	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+Na"	20.974666
"1618445"	448.004066	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na-2H"	20.974666
"94958"	444.010463	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H+Cl"	33.962126
"535613"	657.525163	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H+Cl"	33.962126
"929010"	230.495763	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+Cl"	33.962126
"269025"	889.028202	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Cl"	34.969402
"662174"	1316.057602	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Cl"	34.969402
"1273847"	461.998802	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl"	34.969402
"17865"	891.007406	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+K"	36.948606
"459977"	1318.036806	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+K"	36.948606
"838144"	463.978006	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+K"	36.948606
"1559444"	463.978006	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K-2H"	36.948606
"946233"	472.027594	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+HCOOH"	44.998194
"363716"	899.057001	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+HCOOH-H"	44.998201
"346059"	913.072651	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Hac-H"	59.013851
"1493877"	486.043251	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Hac-H"	59.013851
"961059"	494.009551	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+NaCOOH"	66.980151
"111425"	461.998802	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Cl"	69.938804
"552809"	675.513502	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Cl"	69.938804
"1025982"	248.484102	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Cl"	69.938804
"1242643"	505.948285	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Br"	78.918885
"1305454"	508.004272	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+HCOOH"	80.974872
"1324046"	529.986229	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+NaCOOH"	102.956829
"912550"	540.014986	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+CF3COOH"	112.985586
"1289988"	575.991664	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+CF3COOH"	148.962264
"1367173"	392.016724	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-2H2O"	-35.012676
"1382800"	410.0267	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-H2O"	-17.0027
"283018"	855.066076	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H"	1.007276
"676053"	1282.095476	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H"	1.007276
"1351585"	428.036676	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H"	1.007276
"125976"	428.036676	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2H"	2.014552
"566306"	641.551376	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2H"	2.014552
"1038512"	214.521976	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H"	2.014552
"205072"	285.693542666667	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H"	3.021828
"645371"	428.036676	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+3H"	3.021828
"1165314"	143.350409333333	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3H"	3.021828
"424748"	872.092623	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+NH4"	18.033823
"786671"	1299.122023	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+NH4"	18.033823
"1682632"	445.063223	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4"	18.033823
"330913"	436.5499495	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+NH4"	19.041099
"722928"	650.0646495	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+NH4"	19.041099
"1477478"	223.0352495	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+NH4"	19.041099
"393048"	877.048018	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na"	22.989218
"754311"	1304.077418	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na"	22.989218
"1615511"	450.018618	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na"	22.989218
"323362"	439.027647	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+Na"	23.996494
"720892"	652.542347	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+Na"	23.996494
"1472159"	225.512947	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+Na"	23.996494
"1065770"	150.677723333333	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H+Na"	25.00377
"1272312"	460.062886	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+CH3OH+H"	33.033486
"389672"	893.021958	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+K"	38.963158
"749576"	1320.051358	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+K"	38.963158
"1553817"	465.992558	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K"	38.963158
"313179"	447.014617	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+K"	39.970434
"702321"	660.529317	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+K"	39.970434
"1458328"	233.499917	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+K"	39.970434
"240368"	896.092626	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+H"	42.033826
"1219639"	469.063226	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+H"	42.033826
"1205345"	235.035251	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+2H"	43.041102
"193115"	899.02996	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na-H"	44.97116
"631581"	1326.05936	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na-H"	44.97116
"1139460"	472.00056	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na-H"	44.97116
"174733"	450.018618	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na"	45.978436
"614293"	663.533318	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na"	45.978436
"1116219"	236.503918	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na"	45.978436
"1403876"	158.005037333333	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+2Na"	46.985712
"1430004"	474.042146	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+HCOOH"	47.012746
"220125"	455.05164	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H2O+2H"	56.04448
"1508632"	488.09419	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+H"	61.06479
"408746"	458.005588	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na+K"	61.952376
"770096"	671.520288	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na+K"	61.952376
"1665591"	244.490888	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+K"	61.952376
"252532"	918.074568	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+Na"	64.015768
"1226096"	491.045168	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+Na"	64.015768
"1714135"	491.068693	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+HCOOH"	64.039293
"1188613"	165.332351333333	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3Na"	68.967654
"1651944"	496.024088	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+HCOOH"	68.994688
"171929"	930.97784	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K-H"	76.91904
"608211"	1358.00724	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K-H"	76.91904
"1098800"	503.94844	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K-H"	76.91904
"150633"	465.992558	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K"	77.926316
"589100"	679.507258	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K"	77.926316
"1082361"	252.477858	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K"	77.926316
"1111198"	505.962992	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K+H"	78.933592
"1341025"	506.050607	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+DMSO+H"	79.021207
"1017208"	510.089776	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+H"	83.060376
"1535334"	511.083408	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+Na+H"	84.054008
"991212"	255.548526	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+2H"	84.067652
"1588266"	511.998028	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+HCOOH"	84.968628
"1418669"	542.029538	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+CF3COOH"	115.000138
"1149685"	276.061801	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3ACN+2H"	125.094202
"1703977"	559.056085	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+CF3COOH"	132.026685
"1645094"	564.01148	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+CF3COOH"	136.98208
"1579650"	579.98542	"C00008"	"ADP;Adenosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+CF3COOH"	152.95602
"802115"	97.9769	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M"	0
"978078"	78.95851	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-H2O-H"	-19.01839
"73983"	64.3106573333333	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M-3H"	-3.021828
"515729"	96.969624	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M-3H"	-3.021828
"884787"	31.6516906666667	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-3H"	-3.021828
"5549"	96.969624	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M-2H"	-2.014552
"450580"	145.958074	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M-2H"	-2.014552
"829109"	47.981174	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-2H"	-2.014552
"88372"	194.946524	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M-H"	-1.007276
"525746"	292.923424	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M-H"	-1.007276
"907193"	96.969624	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-H"	-1.007276
"53552"	211.973071	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M-2H+NH4"	16.019271
"490925"	309.949971	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M-2H+NH4"	16.019271
"865567"	113.996171	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-2H+NH4"	16.019271
"33347"	216.928466	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M-2H+Na"	20.974666
"477280"	314.905366	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M-2H+Na"	20.974666
"855082"	118.951566	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-2H+Na"	20.974666
"1618454"	118.951566	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Na-2H"	20.974666
"94447"	114.957963	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M-H+Cl"	33.962126
"534318"	163.946413	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M-H+Cl"	33.962126
"927095"	65.969513	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-H+Cl"	33.962126
"267220"	230.923202	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+Cl"	34.969402
"660017"	328.900102	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+Cl"	34.969402
"1272984"	132.946302	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Cl"	34.969402
"16106"	232.902406	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M-2H+K"	36.948606
"459723"	330.879306	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M-2H+K"	36.948606
"836432"	134.925506	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-2H+K"	36.948606
"1561013"	134.925506	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+K-2H"	36.948606
"944521"	142.975094	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-H+HCOOH"	44.998194
"363463"	240.952001	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+HCOOH-H"	44.998201
"346616"	254.967651	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+Hac-H"	59.013851
"1493988"	156.990751	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Hac-H"	59.013851
"961900"	164.957051	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-H+NaCOOH"	66.980151
"112266"	132.946302	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+2Cl"	69.938804
"553651"	181.934752	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+2Cl"	69.938804
"1024270"	83.957852	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2Cl"	69.938804
"1242266"	176.895785	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Br"	78.918885
"1304431"	178.951772	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Cl+HCOOH"	80.974872
"1320874"	200.933729	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Cl+NaCOOH"	102.956829
"912298"	210.962486	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M-H+CF3COOH"	112.985586
"1289371"	246.939164	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Cl+CF3COOH"	148.962264
"1367164"	62.964224	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H-2H2O"	-35.012676
"1383682"	80.9742	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H-H2O"	-17.0027
"283257"	196.961076	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+H"	1.007276
"675953"	294.937976	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+H"	1.007276
"1351321"	98.984176	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H"	1.007276
"125777"	98.984176	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+2H"	2.014552
"566297"	147.972626	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+2H"	2.014552
"1037408"	49.995726	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2H"	2.014552
"204820"	66.3252093333333	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+3H"	3.021828
"645114"	98.984176	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+3H"	3.021828
"1163728"	33.6662426666667	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+3H"	3.021828
"425661"	213.987623	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+NH4"	18.033823
"786899"	311.964523	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+NH4"	18.033823
"1681464"	116.010723	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+NH4"	18.033823
"330219"	107.4974495	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+H+NH4"	19.041099
"723806"	156.4858995	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+H+NH4"	19.041099
"1477303"	58.5089995	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H+NH4"	19.041099
"394129"	218.943018	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+Na"	22.989218
"758775"	316.919918	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+Na"	22.989218
"1614529"	120.966118	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Na"	22.989218
"325662"	109.975147	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+H+Na"	23.996494
"718450"	158.963597	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+H+Na"	23.996494
"1474823"	60.986697	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H+Na"	23.996494
"1064421"	40.9935566666667	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2H+Na"	25.00377
"1271697"	131.010386	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+CH3OH+H"	33.033486
"388689"	234.916958	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+K"	38.963158
"749686"	332.893858	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+K"	38.963158
"1552470"	136.940058	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+K"	38.963158
"312561"	117.962117	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+H+K"	39.970434
"700243"	166.950567	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+H+K"	39.970434
"1452970"	68.973667	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H+K"	39.970434
"240478"	237.987626	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+ACN+H"	42.033826
"1219749"	140.010726	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+ACN+H"	42.033826
"1206187"	70.509001	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+ACN+2H"	43.041102
"197600"	240.92496	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+2Na-H"	44.97116
"640442"	338.90186	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+2Na-H"	44.97116
"1137752"	142.94806	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2Na-H"	44.97116
"176301"	120.966118	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+2Na"	45.978436
"616955"	169.954568	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+2Na"	45.978436
"1122648"	71.977668	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2Na"	45.978436
"1403985"	48.3208706666667	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H+2Na"	46.985712
"1432822"	144.989646	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H+HCOOH"	47.012746
"220814"	125.99914	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+3H2O+2H"	56.04448
"1508711"	159.04169	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+IsoProp+H"	61.06479
"408555"	128.953088	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+Na+K"	61.952376
"770444"	177.941538	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+Na+K"	61.952376
"1669776"	79.964638	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Na+K"	61.952376
"252278"	259.969568	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+ACN+Na"	64.015768
"1226444"	161.992668	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+ACN+Na"	64.015768
"1714003"	162.016193	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+NH4+HCOOH"	64.039293
"1188723"	55.6481846666667	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+3Na"	68.967654
"1654240"	166.971588	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Na+HCOOH"	68.994688
"170946"	272.87284	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+2K-H"	76.91904
"608321"	370.84974	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+2K-H"	76.91904
"1095020"	174.89594	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2K-H"	76.91904
"146369"	136.940058	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"2M+2K"	77.926316
"588116"	185.928508	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"3M+2K"	77.926316
"1079191"	87.951608	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2K"	77.926316
"1110943"	176.910492	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2K+H"	78.933592
"1345506"	176.998107	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+DMSO+H"	79.021207
"1017318"	181.037276	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2ACN+H"	83.060376
"1535443"	182.030908	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+IsoProp+Na+H"	84.054008
"998612"	91.022276	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+2ACN+2H"	84.067652
"1588742"	182.945528	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+K+HCOOH"	84.968628
"1423152"	212.977038	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+H+CF3COOH"	115.000138
"1152347"	111.535551	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+3ACN+2H"	125.094202
"1708461"	230.003585	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+NH4+CF3COOH"	132.026685
"1648485"	234.95898	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+Na+CF3COOH"	136.98208
"1579760"	250.93292	"C00009"	"Orthophosphate;Phosphate;Phosphoric acid;Orthophosphoric acid"	"H3PO4"	"97.9769"	"M+K+CF3COOH"	152.95602
"803561"	767.1152	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M"	0
"978188"	748.09681	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-H2O-H"	-19.01839
"75186"	510.402857333333	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M-3H"	-3.021828
"516932"	766.107924	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M-3H"	-3.021828
"888178"	254.697790666667	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-3H"	-3.021828
"11129"	766.107924	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M-2H"	-2.014552
"449597"	1149.665524	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M-2H"	-2.014552
"829584"	382.550324	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-2H"	-2.014552
"91399"	1533.223124	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M-H"	-1.007276
"530962"	2300.338324	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M-H"	-1.007276
"908398"	766.107924	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-H"	-1.007276
"53662"	1550.249671	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M-2H+NH4"	16.019271
"491036"	2317.364871	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M-2H+NH4"	16.019271
"868838"	783.134471	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-2H+NH4"	16.019271
"34552"	1555.205066	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M-2H+Na"	20.974666
"471759"	2322.320266	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M-2H+Na"	20.974666
"848870"	788.089866	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-2H+Na"	20.974666
"1618767"	788.089866	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Na-2H"	20.974666
"94683"	784.096263	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M-H+Cl"	33.962126
"534365"	1167.653863	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M-H+Cl"	33.962126
"927099"	400.538663	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-H+Cl"	33.962126
"268516"	1569.199802	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+Cl"	34.969402
"660153"	2336.315002	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+Cl"	34.969402
"1273582"	802.084602	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Cl"	34.969402
"16500"	1571.179006	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M-2H+K"	36.948606
"459105"	2338.294206	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M-2H+K"	36.948606
"836178"	804.063806	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-2H+K"	36.948606
"1561124"	804.063806	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+K-2H"	36.948606
"947184"	812.113394	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-H+HCOOH"	44.998194
"362114"	1579.228601	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+HCOOH-H"	44.998201
"350374"	1593.244251	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+Hac-H"	59.013851
"1496291"	826.129051	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Hac-H"	59.013851
"965292"	834.095351	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-H+NaCOOH"	66.980151
"115294"	802.084602	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+2Cl"	69.938804
"558137"	1185.642202	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+2Cl"	69.938804
"1026203"	418.527002	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2Cl"	69.938804
"1243229"	846.034085	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Br"	78.918885
"1304948"	848.090072	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Cl+HCOOH"	80.974872
"1321105"	870.072029	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Cl+NaCOOH"	102.956829
"914596"	880.100786	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M-H+CF3COOH"	112.985586
"1291301"	916.077464	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Cl+CF3COOH"	148.962264
"1367396"	732.102524	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H-2H2O"	-35.012676
"1384042"	750.1125	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H-H2O"	-17.0027
"285191"	1535.237676	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+H"	1.007276
"675712"	2302.352876	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+H"	1.007276
"1351447"	768.122476	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H"	1.007276
"125747"	768.122476	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+2H"	2.014552
"566528"	1151.680076	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+2H"	2.014552
"1037758"	384.564876	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2H"	2.014552
"204289"	512.417409333333	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+3H"	3.021828
"644854"	768.122476	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+3H"	3.021828
"1164441"	256.712342666667	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+3H"	3.021828
"426618"	1552.264223	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+NH4"	18.033823
"786883"	2319.379423	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+NH4"	18.033823
"1682854"	785.149023	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+NH4"	18.033823
"330771"	776.6357495	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+H+NH4"	19.041099
"723801"	1160.1933495	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+H+NH4"	19.041099
"1478229"	393.0781495	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H+NH4"	19.041099
"393387"	1557.219618	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+Na"	22.989218
"763259"	2324.334818	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+Na"	22.989218
"1617435"	790.104418	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Na"	22.989218
"328324"	779.113447	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+H+Na"	23.996494
"722087"	1162.671047	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+H+Na"	23.996494
"1476402"	395.555847	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H+Na"	23.996494
"1065626"	264.039656666667	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2H+Na"	25.00377
"1271319"	800.148686	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+CH3OH+H"	33.033486
"391718"	1573.193558	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+K"	38.963158
"751985"	2340.308758	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+K"	38.963158
"1552944"	806.078358	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+K"	38.963158
"313037"	787.100417	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+H+K"	39.970434
"703635"	1170.658017	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+H+K"	39.970434
"1458184"	403.542817	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H+K"	39.970434
"248608"	1576.264226	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+ACN+H"	42.033826
"1219859"	809.149026	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+ACN+H"	42.033826
"1205569"	405.078151	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+ACN+2H"	43.041102
"200991"	1579.20156	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+2Na-H"	44.97116
"641282"	2346.31676	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+2Na-H"	44.97116
"1134581"	812.08636	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2Na-H"	44.97116
"177505"	790.104418	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+2Na"	45.978436
"618159"	1173.662018	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+2Na"	45.978436
"1119477"	406.546818	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2Na"	45.978436
"1401909"	271.366970666667	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H+2Na"	46.985712
"1434026"	814.127946	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H+HCOOH"	47.012746
"223720"	795.13744	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+3H2O+2H"	56.04448
"1511782"	828.17999	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+IsoProp+H"	61.06479
"415841"	798.091388	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+Na+K"	61.952376
"774650"	1181.648988	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+Na+K"	61.952376
"1672072"	414.533788	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Na+K"	61.952376
"252395"	1598.246168	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+ACN+Na"	64.015768
"1226198"	831.130968	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+ACN+Na"	64.015768
"1715086"	831.154493	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+NH4+HCOOH"	64.039293
"1184459"	278.694284666667	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+3Na"	68.967654
"1652527"	836.109888	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Na+HCOOH"	68.994688
"172028"	1611.14944	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+2K-H"	76.91904
"608431"	2378.26464	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+2K-H"	76.91904
"1098410"	844.03424	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2K-H"	76.91904
"149759"	806.078358	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"2M+2K"	77.926316
"589320"	1189.635958	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"3M+2K"	77.926316
"1074926"	422.520758	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2K"	77.926316
"1101578"	846.048792	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2K+H"	78.933592
"1343431"	846.136407	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+DMSO+H"	79.021207
"1015241"	850.175576	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2ACN+H"	83.060376
"1536646"	851.169208	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+IsoProp+Na+H"	84.054008
"991068"	425.591426	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+2ACN+2H"	84.067652
"1588855"	852.083828	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+K+HCOOH"	84.968628
"1423263"	882.115338	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+H+CF3COOH"	115.000138
"1152457"	446.104701	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+3ACN+2H"	125.094202
"1711851"	899.141885	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+NH4+CF3COOH"	132.026685
"1647502"	904.09728	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+Na+CF3COOH"	136.98208
"1579870"	920.07122	"C00010"	"CoA;Coenzyme A;CoA-SH"	"C21H36N7O16P3S"	"767.1152"	"M+K+CF3COOH"	152.95602
"805859"	43.9898	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M"	0
"980485"	24.97141	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-H2O-H"	-19.01839
"74203"	28.3192573333333	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M-3H"	-3.021828
"515949"	42.982524	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M-3H"	-3.021828
"895586"	13.6559906666667	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-3H"	-3.021828
"14520"	42.982524	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M-2H"	-2.014552
"454690"	64.977424	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M-2H"	-2.014552
"831520"	20.987624	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-2H"	-2.014552
"93212"	86.972324	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M-H"	-1.007276
"531440"	130.962124	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M-H"	-1.007276
"905961"	42.982524	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-H"	-1.007276
"55959"	103.998871	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M-2H+NH4"	16.019271
"494427"	147.988671	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M-2H+NH4"	16.019271
"866762"	60.009071	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-2H+NH4"	16.019271
"37943"	108.954266	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M-2H+Na"	20.974666
"471907"	152.944066	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M-2H+Na"	20.974666
"854211"	64.964466	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-2H+Na"	20.974666
"1619162"	64.964466	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Na-2H"	20.974666
"94795"	60.970863	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M-H+Cl"	33.962126
"534962"	82.965763	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M-H+Cl"	33.962126
"928112"	38.975963	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-H+Cl"	33.962126
"267883"	122.949002	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+Cl"	34.969402
"660916"	166.938802	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+Cl"	34.969402
"1273813"	78.959202	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Cl"	34.969402
"17220"	124.928206	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M-2H+K"	36.948606
"464318"	168.918006	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M-2H+K"	36.948606
"841029"	80.938406	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-2H+K"	36.948606
"1561234"	80.938406	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+K-2H"	36.948606
"948024"	88.987994	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-H+HCOOH"	44.998194
"367333"	132.977801	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+HCOOH-H"	44.998201
"349393"	146.993451	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+Hac-H"	59.013851
"1496771"	103.003651	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Hac-H"	59.013851
"968684"	110.969951	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-H+NaCOOH"	66.980151
"116499"	78.959202	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+2Cl"	69.938804
"559705"	100.954102	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+2Cl"	69.938804
"1025219"	56.964302	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2Cl"	69.938804
"1243339"	122.908685	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Br"	78.918885
"1304692"	124.964672	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Cl+HCOOH"	80.974872
"1320365"	146.946629	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Cl+NaCOOH"	102.956829
"913246"	156.975386	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M-H+CF3COOH"	112.985586
"1290683"	192.952064	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Cl+CF3COOH"	148.962264
"1367871"	8.977124	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H-2H2O"	-35.012676
"1383422"	26.9871	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H-H2O"	-17.0027
"283843"	88.986876	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+H"	1.007276
"676984"	132.976676	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+H"	1.007276
"1351555"	44.997076	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H"	1.007276
"126100"	44.997076	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+2H"	2.014552
"566108"	66.991976	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+2H"	2.014552
"1037385"	23.002176	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2H"	2.014552
"204915"	30.3338093333333	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+3H"	3.021828
"645085"	44.997076	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+3H"	3.021828
"1163581"	15.6705426666667	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+3H"	3.021828
"425515"	106.013423	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+NH4"	18.033823
"787481"	150.003223	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+NH4"	18.033823
"1682113"	62.023623	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+NH4"	18.033823
"330276"	53.5103495	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+H+NH4"	19.041099
"723305"	75.5052495	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+H+NH4"	19.041099
"1478095"	31.5154495	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H+NH4"	19.041099
"393740"	110.968818	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+Na"	22.989218
"762276"	154.958618	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+Na"	22.989218
"1613655"	66.979018	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Na"	22.989218
"325882"	55.988047	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+H+Na"	23.996494
"720856"	77.982947	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+H+Na"	23.996494
"1474678"	33.993147	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H+Na"	23.996494
"1065370"	22.9978566666667	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2H+Na"	25.00377
"1268143"	77.023286	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+CH3OH+H"	33.033486
"389633"	126.942758	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+K"	38.963158
"752095"	170.932558	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+K"	38.963158
"1554148"	82.952958	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+K"	38.963158
"313147"	63.975017	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+H+K"	39.970434
"704474"	85.969917	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+H+K"	39.970434
"1457566"	41.980117	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H+K"	39.970434
"247261"	130.013426	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+ACN+H"	42.033826
"1216689"	86.023626	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+ACN+H"	42.033826
"1208230"	43.515451	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+ACN+2H"	43.041102
"199643"	132.95076	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+2Na-H"	44.97116
"642121"	176.94056	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+2Na-H"	44.97116
"1133599"	88.96096	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2Na-H"	44.97116
"175429"	66.979018	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+2Na"	45.978436
"621550"	88.973918	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+2Na"	45.978436
"1118494"	44.984118	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2Na"	45.978436
"1405299"	30.3251706666667	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H+2Na"	46.985712
"1433407"	91.002546	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H+HCOOH"	47.012746
"222738"	72.01204	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+3H2O+2H"	56.04448
"1514079"	105.05459	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+IsoProp+H"	61.06479
"417044"	74.965988	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+Na+K"	61.952376
"773666"	96.960888	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+Na+K"	61.952376
"1671091"	52.971088	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Na+K"	61.952376
"252623"	151.995368	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+ACN+Na"	64.015768
"1227034"	108.005568	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+ACN+Na"	64.015768
"1713370"	108.029093	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+NH4+HCOOH"	64.039293
"1183476"	37.6524846666667	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+3Na"	68.967654
"1652273"	112.984488	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Na+HCOOH"	68.994688
"160231"	164.89864	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+2K-H"	76.91904
"606352"	208.88844	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+2K-H"	76.91904
"1095240"	120.90884	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2K-H"	76.91904
"147682"	82.952958	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"2M+2K"	77.926316
"589431"	104.947858	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"3M+2K"	77.926316
"1075036"	60.958058	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2K"	77.926316
"1104968"	122.923392	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2K+H"	78.933592
"1344635"	123.011007	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+DMSO+H"	79.021207
"1016444"	127.050176	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2ACN+H"	83.060376
"1536393"	128.043808	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+IsoProp+Na+H"	84.054008
"993365"	64.028726	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+2ACN+2H"	84.067652
"1592245"	128.958428	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+K+HCOOH"	84.968628
"1426653"	158.989938	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+H+CF3COOH"	115.000138
"1156941"	84.542001	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+3ACN+2H"	125.094202
"1711597"	176.016485	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+NH4+CF3COOH"	132.026685
"1648341"	180.97188	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+Na+CF3COOH"	136.98208
"1579980"	196.94582	"C00011"	"CO2;Carbon dioxide"	"CO2"	"43.9898"	"M+K+CF3COOH"	152.95602
"803784"	177.9432	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M"	0
"988257"	158.92481	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-H2O-H"	-19.01839
"71031"	117.621524	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M-3H"	-3.021828
"516062"	176.935924	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M-3H"	-3.021828
"892772"	58.307124	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-3H"	-3.021828
"11345"	176.935924	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M-2H"	-2.014552
"447629"	265.907524	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M-2H"	-2.014552
"821056"	87.964324	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-2H"	-2.014552
"83236"	354.879124	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M-H"	-1.007276
"529360"	532.822324	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M-H"	-1.007276
"898776"	176.935924	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-H"	-1.007276
"56067"	371.905671	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M-2H+NH4"	16.019271
"498546"	549.848871	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M-2H+NH4"	16.019271
"872335"	193.962471	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-2H+NH4"	16.019271
"36956"	376.861066	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M-2H+Na"	20.974666
"476516"	554.804266	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M-2H+Na"	20.974666
"848767"	198.917866	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-2H+Na"	20.974666
"1619475"	198.917866	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Na-2H"	20.974666
"95634"	194.924263	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M-H+Cl"	33.962126
"535319"	283.895863	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M-H+Cl"	33.962126
"928100"	105.952663	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-H+Cl"	33.962126
"267755"	390.855802	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+Cl"	34.969402
"660416"	568.799002	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+Cl"	34.969402
"1273925"	212.912602	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Cl"	34.969402
"16349"	392.835006	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M-2H+K"	36.948606
"467710"	570.778206	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M-2H+K"	36.948606
"843324"	214.891806	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-2H+K"	36.948606
"1563531"	214.891806	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+K-2H"	36.948606
"947042"	222.941394	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-H+HCOOH"	44.998194
"370358"	400.884601	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+HCOOH-H"	44.998201
"353151"	414.900251	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+Hac-H"	59.013851
"1505265"	236.957051	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Hac-H"	59.013851
"966609"	244.923351	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-H+NaCOOH"	66.980151
"117702"	212.912602	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+2Cl"	69.938804
"557263"	301.884202	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+2Cl"	69.938804
"1029341"	123.941002	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2Cl"	69.938804
"1246365"	256.862085	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Br"	78.918885
"1307719"	258.918072	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Cl+HCOOH"	80.974872
"1323761"	280.900029	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Cl+NaCOOH"	102.956829
"913360"	290.928786	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M-H+CF3COOH"	112.985586
"1290793"	326.905464	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Cl+CF3COOH"	148.962264
"1367169"	142.930524	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H-2H2O"	-35.012676
"1383162"	160.9405	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H-H2O"	-17.0027
"283705"	356.893676	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+H"	1.007276
"676615"	534.836876	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+H"	1.007276
"1351497"	178.950476	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H"	1.007276
"126218"	178.950476	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+2H"	2.014552
"567116"	267.922076	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+2H"	2.014552
"1037168"	89.978876	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2H"	2.014552
"205035"	119.636076	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+3H"	3.021828
"645203"	178.950476	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+3H"	3.021828
"1163325"	60.321676	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+3H"	3.021828
"426481"	373.920223	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+NH4"	18.033823
"786374"	551.863423	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+NH4"	18.033823
"1681982"	195.977023	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+NH4"	18.033823
"330172"	187.4637495	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+H+NH4"	19.041099
"723166"	276.4353495	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+H+NH4"	19.041099
"1478693"	98.4921495	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H+NH4"	19.041099
"394093"	378.875618	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+Na"	22.989218
"754722"	556.818818	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+Na"	22.989218
"1605381"	200.932418	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Na"	22.989218
"320522"	189.941447	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+H+Na"	23.996494
"713306"	278.913047	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+H+Na"	23.996494
"1467860"	100.969847	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H+Na"	23.996494
"1063294"	67.64899	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2H+Na"	25.00377
"1266066"	210.976686	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+CH3OH+H"	33.033486
"386827"	394.849558	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+K"	38.963158
"747831"	572.792758	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+K"	38.963158
"1549882"	216.906358	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+K"	38.963158
"307058"	197.928417	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+H+K"	39.970434
"700573"	286.900017	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+H+K"	39.970434
"1455487"	108.956817	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H+K"	39.970434
"248462"	397.920226	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+ACN+H"	42.033826
"1218984"	219.977026	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+ACN+H"	42.033826
"1200681"	110.492151	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+ACN+2H"	43.041102
"197930"	400.85756	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+2Na-H"	44.97116
"630932"	578.80076	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+2Na-H"	44.97116
"1143547"	222.91436	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2Na-H"	44.97116
"181005"	200.932418	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+2Na"	45.978436
"620568"	289.904018	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+2Na"	45.978436
"1121157"	111.960818	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2Na"	45.978436
"1407597"	74.976304	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H+2Na"	46.985712
"1441901"	224.955946	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H+HCOOH"	47.012746
"227222"	205.96544	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+3H2O+2H"	56.04448
"1516377"	239.00799	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+IsoProp+H"	61.06479
"412780"	208.919388	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+Na+K"	61.952376
"771952"	297.890988	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+Na+K"	61.952376
"1667793"	119.947788	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Na+K"	61.952376
"252975"	419.902168	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+ACN+Na"	64.015768
"1226294"	241.958968	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+ACN+Na"	64.015768
"1713245"	241.982493	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+NH4+HCOOH"	64.039293
"1180298"	82.303618	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+3Na"	68.967654
"1650681"	246.937888	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Na+HCOOH"	68.994688
"160341"	432.80544	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+2K-H"	76.91904
"605371"	610.74864	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+2K-H"	76.91904
"1086602"	254.86224	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2K-H"	76.91904
"151075"	216.906358	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"2M+2K"	77.926316
"585168"	305.877958	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"3M+2K"	77.926316
"1078426"	127.934758	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2K"	77.926316
"1111638"	256.876792	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2K+H"	78.933592
"1343646"	256.964407	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+DMSO+H"	79.021207
"1012178"	261.003576	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2ACN+H"	83.060376
"1534680"	261.997208	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+IsoProp+Na+H"	84.054008
"991288"	131.005426	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+2ACN+2H"	84.067652
"1587978"	262.911828	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+K+HCOOH"	84.968628
"1420202"	292.943338	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+H+CF3COOH"	115.000138
"1153770"	151.518701	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+3ACN+2H"	125.094202
"1709883"	309.969885	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+NH4+CF3COOH"	132.026685
"1645534"	314.92528	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+Na+CF3COOH"	136.98208
"1580090"	330.89922	"C00013"	"Diphosphate;Diphosphoric acid;Pyrophosphate;Pyrophosphoric acid;PPi"	"H4P2O7"	"177.9432"	"M+K+CF3COOH"	152.95602
"803894"	17.0265	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M"	0
"988367"	-1.99189	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-H2O-H"	-19.01839
"71141"	10.343724	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M-3H"	-3.021828
"517264"	16.019224	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M-3H"	-3.021828
"893610"	4.668224	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-3H"	-3.021828
"9268"	16.019224	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M-2H"	-2.014552
"448832"	24.532474	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M-2H"	-2.014552
"822261"	7.505974	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-2H"	-2.014552
"83346"	33.045724	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M-H"	-1.007276
"530563"	50.072224	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M-H"	-1.007276
"906177"	16.019224	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-H"	-1.007276
"56177"	50.072271	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M-2H+NH4"	16.019271
"497562"	67.098771	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M-2H+NH4"	16.019271
"872445"	33.045771	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-2H+NH4"	16.019271
"37066"	55.027666	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M-2H+Na"	20.974666
"476626"	72.054166	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M-2H+Na"	20.974666
"849444"	38.001166	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-2H+Na"	20.974666
"1618932"	38.001166	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Na-2H"	20.974666
"95379"	34.007563	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M-H+Cl"	33.962126
"535185"	42.520813	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M-H+Cl"	33.962126
"927483"	25.494313	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-H+Cl"	33.962126
"267983"	69.022402	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+Cl"	34.969402
"660649"	86.048902	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+Cl"	34.969402
"1273172"	51.995902	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Cl"	34.969402
"15824"	71.001606	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M-2H+K"	36.948606
"465632"	88.028106	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M-2H+K"	36.948606
"836871"	53.975106	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-2H+K"	36.948606
"1563641"	53.975106	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+K-2H"	36.948606
"951526"	62.024694	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-H+HCOOH"	44.998194
"370469"	79.051201	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+HCOOH-H"	44.998201
"353623"	93.066851	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+Hac-H"	59.013851
"1500270"	76.040351	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Hac-H"	59.013851
"968904"	84.006651	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-H+NaCOOH"	66.980151
"115623"	51.995902	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+2Cl"	69.938804
"553727"	60.509152	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+2Cl"	69.938804
"1025806"	43.482652	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2Cl"	69.938804
"1243559"	95.945385	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Br"	78.918885
"1307102"	98.001372	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Cl+HCOOH"	80.974872
"1322047"	119.983329	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Cl+NaCOOH"	102.956829
"914560"	130.012086	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M-H+CF3COOH"	112.985586
"1288917"	165.988764	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Cl+CF3COOH"	148.962264
"1367197"	-17.986176	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H-2H2O"	-35.012676
"1383114"	0.0237999999999978	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H-H2O"	-17.0027
"283694"	35.060276	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+H"	1.007276
"676034"	52.086776	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+H"	1.007276
"1351362"	18.033776	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H"	1.007276
"126209"	18.033776	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+2H"	2.014552
"565891"	26.547026	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+2H"	2.014552
"1037283"	9.520526	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2H"	2.014552
"205026"	12.358276	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+3H"	3.021828
"644951"	18.033776	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+3H"	3.021828
"1162867"	6.682776	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+3H"	3.021828
"425134"	52.086823	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+NH4"	18.033823
"786849"	69.113323	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+NH4"	18.033823
"1681326"	35.060323	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+NH4"	18.033823
"330024"	26.5470495	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+H+NH4"	19.041099
"723075"	35.0602995	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+H+NH4"	19.041099
"1479169"	18.0337995	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H+NH4"	19.041099
"395296"	57.042218	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+Na"	22.989218
"755077"	74.068718	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+Na"	22.989218
"1608407"	40.015718	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Na"	22.989218
"320632"	29.024747	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+H+Na"	23.996494
"713052"	37.537997	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+H+Na"	23.996494
"1473436"	20.511497	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H+Na"	23.996494
"1063404"	14.01009	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2H+Na"	25.00377
"1266175"	50.059986	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+CH3OH+H"	33.033486
"384750"	73.016158	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+K"	38.963158
"747942"	90.042658	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+K"	38.963158
"1547807"	55.989658	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+K"	38.963158
"309354"	37.011717	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+H+K"	39.970434
"702870"	45.524967	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+H+K"	39.970434
"1455597"	28.498467	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H+K"	39.970434
"249671"	76.086826	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+ACN+H"	42.033826
"1219094"	59.060326	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+ACN+H"	42.033826
"1205895"	30.033801	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+ACN+2H"	43.041102
"201320"	79.02416	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+2Na-H"	44.97116
"638695"	96.05066	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+2Na-H"	44.97116
"1136003"	61.99766	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2Na-H"	44.97116
"180024"	40.015718	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+2Na"	45.978436
"626146"	48.528968	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+2Na"	45.978436
"1123091"	31.502468	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2Na"	45.978436
"1410986"	21.337404	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H+2Na"	46.985712
"1440918"	64.039246	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H+HCOOH"	47.012746
"228426"	45.04874	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+3H2O+2H"	56.04448
"1519766"	78.09129	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+IsoProp+H"	61.06479
"419452"	48.002688	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+Na+K"	61.952376
"776075"	56.515938	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+Na+K"	61.952376
"1668031"	39.489438	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Na+K"	61.952376
"252357"	98.068768	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+ACN+Na"	64.015768
"1226892"	81.042268	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+ACN+Na"	64.015768
"1713193"	81.065793	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+NH4+HCOOH"	64.039293
"1179558"	28.664718	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+3Na"	68.967654
"1651398"	86.021188	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Na+HCOOH"	68.994688
"163731"	110.97204	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+2K-H"	76.91904
"608761"	127.99854	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+2K-H"	76.91904
"1087805"	93.94554	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2K-H"	76.91904
"147905"	55.989658	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"2M+2K"	77.926316
"585277"	64.502908	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"3M+2K"	77.926316
"1071973"	47.476408	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2K"	77.926316
"1109559"	95.960092	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2K+H"	78.933592
"1340476"	96.047707	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+DMSO+H"	79.021207
"1012288"	100.086876	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2ACN+H"	83.060376
"1534790"	101.080508	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+IsoProp+Na+H"	84.054008
"993585"	50.547076	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+2ACN+2H"	84.067652
"1587721"	101.995128	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+K+HCOOH"	84.968628
"1419217"	132.026638	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+H+CF3COOH"	115.000138
"1153880"	71.060351	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+3ACN+2H"	125.094202
"1704525"	149.053185	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+NH4+CF3COOH"	132.026685
"1645644"	154.00858	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+Na+CF3COOH"	136.98208
"1580200"	169.98252	"C00014"	"Ammonia;NH3"	"NH3"	"17.0265"	"M+K+CF3COOH"	152.95602
"801484"	404.0022	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M"	0
"986290"	384.98381	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-H2O-H"	-19.01839
"71251"	268.327524	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M-3H"	-3.021828
"516281"	402.994924	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M-3H"	-3.021828
"887520"	133.660124	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-3H"	-3.021828
"9378"	402.994924	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M-2H"	-2.014552
"447849"	604.996024	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M-2H"	-2.014552
"820548"	200.993824	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-2H"	-2.014552
"82362"	806.997124	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M-H"	-1.007276
"528486"	1210.999324	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M-H"	-1.007276
"906286"	402.994924	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-H"	-1.007276
"56287"	824.023671	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M-2H+NH4"	16.019271
"495849"	1228.025871	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M-2H+NH4"	16.019271
"872555"	420.021471	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-2H+NH4"	16.019271
"37176"	828.979066	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M-2H+Na"	20.974666
"477830"	1232.981266	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M-2H+Na"	20.974666
"850165"	424.976866	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-2H+Na"	20.974666
"1618638"	424.976866	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Na-2H"	20.974666
"95491"	420.983263	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M-H+Cl"	33.962126
"535051"	622.984363	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M-H+Cl"	33.962126
"927264"	218.982163	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-H+Cl"	33.962126
"267485"	842.973802	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+Cl"	34.969402
"660147"	1246.976002	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+Cl"	34.969402
"1273402"	438.971602	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Cl"	34.969402
"15876"	844.953006	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M-2H+K"	36.948606
"460637"	1248.955206	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M-2H+K"	36.948606
"836252"	440.950806	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-2H+K"	36.948606
"1561565"	440.950806	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+K-2H"	36.948606
"947264"	449.000394	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-H+HCOOH"	44.998194
"366571"	853.002601	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+HCOOH-H"	44.998201
"349361"	867.018251	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+Hac-H"	59.013851
"1498194"	463.016051	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Hac-H"	59.013851
"966828"	470.982351	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-H+NaCOOH"	66.980151
"113911"	438.971602	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+2Cl"	69.938804
"553472"	640.972702	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+2Cl"	69.938804
"1026281"	236.970502	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2Cl"	69.938804
"1243669"	482.921085	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Br"	78.918885
"1306117"	484.977072	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Cl+HCOOH"	80.974872
"1322157"	506.959029	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Cl+NaCOOH"	102.956829
"913576"	516.987786	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M-H+CF3COOH"	112.985586
"1289190"	552.964464	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Cl+CF3COOH"	148.962264
"1372457"	368.989524	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H-2H2O"	-35.012676
"1384484"	386.9995	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H-H2O"	-17.0027
"283274"	809.011676	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+H"	1.007276
"675986"	1213.013876	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+H"	1.007276
"1351640"	405.009476	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H"	1.007276
"125811"	405.009476	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+2H"	2.014552
"565698"	607.010576	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+2H"	2.014552
"1037079"	203.008376	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2H"	2.014552
"205013"	270.342076	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+3H"	3.021828
"645304"	405.009476	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+3H"	3.021828
"1163178"	135.674676	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+3H"	3.021828
"425001"	826.038223	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+NH4"	18.033823
"786596"	1230.040423	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+NH4"	18.033823
"1681506"	422.036023	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+NH4"	18.033823
"330356"	413.5227495	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+H+NH4"	19.041099
"723024"	615.5238495	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+H+NH4"	19.041099
"1477221"	211.5216495	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H+NH4"	19.041099
"393215"	830.993618	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+Na"	22.989218
"755675"	1234.995818	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+Na"	22.989218
"1607424"	426.991418	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Na"	22.989218
"315273"	416.000447	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+H+Na"	23.996494
"712069"	618.001547	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+H+Na"	23.996494
"1469170"	213.999347	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H+Na"	23.996494
"1058043"	143.00199	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2H+Na"	25.00377
"1265191"	437.035686	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+CH3OH+H"	33.033486
"383035"	846.967558	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+K"	38.963158
"746959"	1250.969758	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+K"	38.963158
"1549011"	442.965358	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+K"	38.963158
"307279"	423.987417	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+H+K"	39.970434
"702981"	625.988517	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+H+K"	39.970434
"1456802"	221.986317	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H+K"	39.970434
"245401"	850.038226	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+ACN+H"	42.033826
"1223581"	446.036026	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+ACN+H"	42.033826
"1208923"	223.521651	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+ACN+2H"	43.041102
"202527"	852.97556	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+2Na-H"	44.97116
"634431"	1256.97776	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+2Na-H"	44.97116
"1135021"	448.97336	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2Na-H"	44.97116
"176124"	426.991418	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+2Na"	45.978436
"622976"	628.992518	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+2Na"	45.978436
"1121377"	224.990318	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2Na"	45.978436
"1407816"	150.329304	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H+2Na"	46.985712
"1434467"	451.014946	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H+HCOOH"	47.012746
"228535"	432.02444	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+3H2O+2H"	56.04448
"1516595"	465.06699	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+IsoProp+H"	61.06479
"418470"	434.978388	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+Na+K"	61.952376
"776548"	636.979488	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+Na+K"	61.952376
"1667044"	232.977288	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Na+K"	61.952376
"251438"	872.020168	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+ACN+Na"	64.015768
"1225906"	468.017968	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+ACN+Na"	64.015768
"1713345"	468.041493	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+NH4+HCOOH"	64.039293
"1179062"	157.656618	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+3Na"	68.967654
"1650536"	472.996888	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Na+HCOOH"	68.994688
"164934"	884.92344	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+2K-H"	76.91904
"609963"	1288.92564	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+2K-H"	76.91904
"1089008"	480.92124	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2K-H"	76.91904
"148013"	442.965358	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"2M+2K"	77.926316
"586480"	644.966458	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"3M+2K"	77.926316
"1079741"	240.964258	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2K"	77.926316
"1109670"	482.935792	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2K+H"	78.933592
"1340586"	483.023407	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+DMSO+H"	79.021207
"1012396"	487.062576	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2ACN+H"	83.060376
"1533804"	488.056208	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+IsoProp+Na+H"	84.054008
"992601"	244.034926	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+2ACN+2H"	84.067652
"1589291"	488.970828	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+K+HCOOH"	84.968628
"1420420"	519.002338	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+H+CF3COOH"	115.000138
"1153990"	264.548201	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+3ACN+2H"	125.094202
"1704635"	536.028885	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+NH4+CF3COOH"	132.026685
"1645754"	540.98428	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+Na+CF3COOH"	136.98208
"1580310"	556.95822	"C00015"	"UDP;Uridine 5-diphosphate"	"C9H14N2O12P2"	"404.0022"	"M+K+CF3COOH"	152.95602
"803020"	785.1571	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M"	0
"984213"	766.13871	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-H2O-H"	-19.01839
"68081"	522.430790666667	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M-3H"	-3.021828
"509828"	784.149824	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M-3H"	-3.021828
"881433"	260.711757333333	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-3H"	-3.021828
"5113"	784.149824	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M-2H"	-2.014552
"446866"	1176.728374	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M-2H"	-2.014552
"818107"	391.571274	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-2H"	-2.014552
"81379"	1569.306924	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M-H"	-1.007276
"525316"	2354.464024	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M-H"	-1.007276
"905303"	784.149824	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-H"	-1.007276
"56397"	1586.333471	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M-2H+NH4"	16.019271
"495958"	2371.490571	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M-2H+NH4"	16.019271
"871572"	801.176371	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-2H+NH4"	16.019271
"37285"	1591.288866	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M-2H+Na"	20.974666
"477940"	2376.445966	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M-2H+Na"	20.974666
"852461"	806.131766	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-2H+Na"	20.974666
"1618587"	806.131766	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Na-2H"	20.974666
"94831"	802.138163	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M-H+Cl"	33.962126
"534716"	1194.716713	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M-H+Cl"	33.962126
"927070"	409.559613	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-H+Cl"	33.962126
"267343"	1605.283602	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+Cl"	34.969402
"660009"	2390.440702	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+Cl"	34.969402
"1272837"	820.126502	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Cl"	34.969402
"15827"	1607.262806	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M-2H+K"	36.948606
"456001"	2392.419906	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M-2H+K"	36.948606
"835267"	822.105706	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-2H+K"	36.948606
"1557663"	822.105706	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+K-2H"	36.948606
"945184"	830.155294	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-H+HCOOH"	44.998194
"362306"	1615.312401	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+HCOOH-H"	44.998201
"347648"	1629.328051	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+Hac-H"	59.013851
"1495021"	844.170951	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Hac-H"	59.013851
"960372"	852.137251	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-H+NaCOOH"	66.980151
"111467"	820.126502	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+2Cl"	69.938804
"551393"	1212.705052	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+2Cl"	69.938804
"1022742"	427.547952	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2Cl"	69.938804
"1241438"	864.075985	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Br"	78.918885
"1305374"	866.131972	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Cl+HCOOH"	80.974872
"1320440"	888.113929	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Cl+NaCOOH"	102.956829
"913079"	898.142686	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M-H+CF3COOH"	112.985586
"1288532"	934.119364	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Cl+CF3COOH"	148.962264
"1367453"	750.144424	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H-2H2O"	-35.012676
"1383413"	768.1544	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H-H2O"	-17.0027
"283182"	1571.321476	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+H"	1.007276
"675970"	2356.478576	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+H"	1.007276
"1351789"	786.164376	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H"	1.007276
"125776"	786.164376	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+2H"	2.014552
"566113"	1178.742926	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+2H"	2.014552
"1037462"	393.585826	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2H"	2.014552
"206583"	524.445342666667	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+3H"	3.021828
"645416"	786.164376	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+3H"	3.021828
"1163410"	262.726309333333	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+3H"	3.021828
"425719"	1588.348023	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+NH4"	18.033823
"787073"	2373.505123	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+NH4"	18.033823
"1681906"	803.190923	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+NH4"	18.033823
"330951"	794.6776495	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+H+NH4"	19.041099
"724107"	1187.2561995	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+H+NH4"	19.041099
"1477928"	402.0990995	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H+NH4"	19.041099
"393450"	1593.303418	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+Na"	22.989218
"756150"	2378.460518	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+Na"	22.989218
"1603030"	808.146318	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Na"	22.989218
"316112"	797.155347	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+H+Na"	23.996494
"709992"	1189.733897	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+H+Na"	23.996494
"1461989"	404.576797	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H+Na"	23.996494
"1058517"	270.053623333333	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2H+Na"	25.00377
"1265300"	818.190586	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+CH3OH+H"	33.033486
"380592"	1609.277358	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+K"	38.963158
"748157"	2394.434458	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+K"	38.963158
"1545837"	824.120258	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+K"	38.963158
"306293"	805.142317	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+H+K"	39.970434
"700905"	1197.720867	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+H+K"	39.970434
"1451444"	412.563767	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H+K"	39.970434
"243325"	1612.348026	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+ACN+H"	42.033826
"1216033"	827.190926	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+ACN+H"	42.033826
"1206118"	414.099101	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+ACN+2H"	43.041102
"196073"	1615.28536	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+2Na-H"	44.97116
"631622"	2400.44246	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+2Na-H"	44.97116
"1134034"	830.12826	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2Na-H"	44.97116
"174045"	808.146318	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+2Na"	45.978436
"613119"	1200.724868	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+2Na"	45.978436
"1118936"	415.567768	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2Na"	45.978436
"1399542"	277.380937333333	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H+2Na"	46.985712
"1433483"	832.169846	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H+HCOOH"	47.012746
"225364"	813.17934	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+3H2O+2H"	56.04448
"1509779"	846.22189	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+IsoProp+H"	61.06479
"410924"	816.133288	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+Na+K"	61.952376
"770945"	1208.711838	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+Na+K"	61.952376
"1665810"	423.554738	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Na+K"	61.952376
"252087"	1634.329968	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+ACN+Na"	64.015768
"1226010"	849.172868	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+ACN+Na"	64.015768
"1712915"	849.196393	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+NH4+HCOOH"	64.039293
"1179039"	284.708251333333	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+3Na"	68.967654
"1652338"	854.151788	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Na+HCOOH"	68.994688
"161033"	1647.23324	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+2K-H"	76.91904
"610073"	2432.39034	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+2K-H"	76.91904
"1089118"	862.07614	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2K-H"	76.91904
"148123"	824.120258	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"2M+2K"	77.926316
"587683"	1216.698808	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"3M+2K"	77.926316
"1076571"	431.541708	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2K"	77.926316
"1105406"	864.090692	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2K+H"	78.933592
"1340696"	864.178307	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+DMSO+H"	79.021207
"1010319"	868.217476	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2ACN+H"	83.060376
"1530634"	869.211108	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+IsoProp+Na+H"	84.054008
"991618"	434.612376	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+2ACN+2H"	84.067652
"1587820"	870.125728	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+K+HCOOH"	84.968628
"1418344"	900.157238	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+H+CF3COOH"	115.000138
"1154100"	455.125651	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+3ACN+2H"	125.094202
"1704745"	917.183785	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+NH4+CF3COOH"	132.026685
"1644771"	922.13918	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+Na+CF3COOH"	136.98208
"1580420"	938.11312	"C00016"	"FAD;Flavin adenine dinucleotide"	"C27H33N9O15P2"	"785.1571"	"M+K+CF3COOH"	152.95602
"805318"	247.0246	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M"	0
"984323"	228.00621	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-H2O-H"	-19.01839
"69285"	163.675790666667	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M-3H"	-3.021828
"511033"	246.017324	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M-3H"	-3.021828
"888836"	81.3342573333333	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-3H"	-3.021828
"9600"	246.017324	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M-2H"	-2.014552
"449164"	369.529624	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M-2H"	-2.014552
"821498"	122.505024	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-2H"	-2.014552
"84770"	493.041924	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M-H"	-1.007276
"525426"	740.066524	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M-H"	-1.007276
"902133"	246.017324	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-H"	-1.007276
"49218"	510.068471	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M-2H+NH4"	16.019271
"492787"	757.093071	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M-2H+NH4"	16.019271
"871683"	263.043871	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-2H+NH4"	16.019271
"34116"	515.023866	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M-2H+Na"	20.974666
"471730"	762.048466	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M-2H+Na"	20.974666
"848920"	267.999266	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-2H+Na"	20.974666
"1618735"	267.999266	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Na-2H"	20.974666
"94532"	264.005663	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M-H+Cl"	33.962126
"534457"	387.517963	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M-H+Cl"	33.962126
"927564"	140.493363	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-H+Cl"	33.962126
"267503"	529.018602	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+Cl"	34.969402
"660243"	776.043202	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+Cl"	34.969402
"1273134"	281.994002	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Cl"	34.969402
"16058"	530.997806	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M-2H+K"	36.948606
"459036"	778.022406	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M-2H+K"	36.948606
"834648"	283.973206	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-2H+K"	36.948606
"1556393"	283.973206	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+K-2H"	36.948606
"944196"	292.022794	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-H+HCOOH"	44.998194
"362410"	539.047401	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+HCOOH-H"	44.998201
"345789"	553.063051	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+Hac-H"	59.013851
"1493421"	306.038451	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Hac-H"	59.013851
"959751"	314.004751	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-H+NaCOOH"	66.980151
"110722"	281.994002	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+2Cl"	69.938804
"551133"	405.506302	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+2Cl"	69.938804
"1021346"	158.481702	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2Cl"	69.938804
"1241818"	325.943485	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Br"	78.918885
"1304755"	327.999472	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Cl+HCOOH"	80.974872
"1319893"	349.981429	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Cl+NaCOOH"	102.956829
"911726"	360.010186	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M-H+CF3COOH"	112.985586
"1288677"	395.986864	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Cl+CF3COOH"	148.962264
"1367036"	212.011924	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H-2H2O"	-35.012676
"1382804"	230.0219	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H-H2O"	-17.0027
"283127"	495.056476	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+H"	1.007276
"675758"	742.081076	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+H"	1.007276
"1351867"	248.031876	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H"	1.007276
"127148"	248.031876	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+2H"	2.014552
"569263"	371.544176	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+2H"	2.014552
"1038062"	124.519576	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2H"	2.014552
"204989"	165.690342666667	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+3H"	3.021828
"644670"	248.031876	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+3H"	3.021828
"1162885"	83.3488093333333	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+3H"	3.021828
"425819"	512.083023	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+NH4"	18.033823
"787189"	759.107623	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+NH4"	18.033823
"1681570"	265.058423	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+NH4"	18.033823
"330337"	256.5451495	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+H+NH4"	19.041099
"723157"	380.0574495	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+H+NH4"	19.041099
"1479863"	133.0328495	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H+NH4"	19.041099
"393193"	517.038418	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+Na"	22.989218
"755042"	764.063018	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+Na"	22.989218
"1605090"	270.013818	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Na"	22.989218
"324242"	259.022847	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+H+Na"	23.996494
"713383"	382.535147	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+H+Na"	23.996494
"1469393"	135.510547	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H+Na"	23.996494
"1062639"	90.6761233333333	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2H+Na"	25.00377
"1265411"	280.058086	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+CH3OH+H"	33.033486
"383987"	533.012358	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+K"	38.963158
"752640"	780.036958	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+K"	38.963158
"1549230"	285.987758	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+K"	38.963158
"309686"	267.009817	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+H+K"	39.970434
"695546"	390.522117	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+H+K"	39.970434
"1451555"	143.497517	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H+K"	39.970434
"237967"	536.083026	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+ACN+H"	42.033826
"1213957"	289.058426	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+ACN+H"	42.033826
"1203309"	145.032851	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+ACN+2H"	43.041102
"192534"	539.02036	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+2Na-H"	44.97116
"628851"	786.04496	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+2Na-H"	44.97116
"1133779"	291.99576	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2Na-H"	44.97116
"174154"	270.013818	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+2Na"	45.978436
"614808"	393.526118	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+2Na"	45.978436
"1116611"	146.501518	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2Na"	45.978436
"1398874"	98.0034373333333	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H+2Na"	46.985712
"1430467"	294.037346	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H+HCOOH"	47.012746
"220409"	275.04684	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+3H2O+2H"	56.04448
"1511713"	308.08939	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+IsoProp+H"	61.06479
"408838"	278.000788	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+Na+K"	61.952376
"770685"	401.513088	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+Na+K"	61.952376
"1666283"	154.488488	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Na+K"	61.952376
"251539"	558.064968	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+ACN+Na"	64.015768
"1226494"	311.040368	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+ACN+Na"	64.015768
"1716480"	311.063893	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+NH4+HCOOH"	64.039293
"1181835"	105.330751333333	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+3Na"	68.967654
"1655012"	316.019288	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Na+HCOOH"	68.994688
"162968"	570.96824	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+2K-H"	76.91904
"608725"	817.99284	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+2K-H"	76.91904
"1092509"	323.94364	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2K-H"	76.91904
"143856"	285.987758	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"2M+2K"	77.926316
"582322"	409.500058	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"3M+2K"	77.926316
"1076681"	162.475458	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2K"	77.926316
"1101384"	325.958192	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2K+H"	78.933592
"1337889"	326.045807	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+DMSO+H"	79.021207
"1008241"	330.084976	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2ACN+H"	83.060376
"1528559"	331.078608	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+IsoProp+Na+H"	84.054008
"991115"	165.546126	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+2ACN+2H"	84.067652
"1587810"	331.993228	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+K+HCOOH"	84.968628
"1414480"	362.024738	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+H+CF3COOH"	115.000138
"1154210"	186.059401	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+3ACN+2H"	125.094202
"1709232"	379.051285	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+NH4+CF3COOH"	132.026685
"1644881"	384.00668	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+Na+CF3COOH"	136.98208
"1573970"	399.98062	"C00018"	"Pyridoxal phosphate;Pyridoxal 5-phosphate;Pyridoxal 5-phosphate;PLP"	"C8H10NO6P"	"247.0246"	"M+K+CF3COOH"	152.95602
"810897"	398.1372	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M"	0
"987716"	379.11881	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-H2O-H"	-19.01839
"73770"	264.417524	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M-3H"	-3.021828
"511147"	397.129924	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M-3H"	-3.021828
"887856"	131.705124	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-3H"	-3.021828
"9711"	397.129924	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M-2H"	-2.014552
"450367"	596.198524	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M-2H"	-2.014552
"828169"	198.061324	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-2H"	-2.014552
"88163"	795.267124	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M-H"	-1.007276
"522619"	1193.404324	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M-H"	-1.007276
"901150"	397.129924	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-H"	-1.007276
"53337"	812.293671	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M-2H+NH4"	16.019271
"495085"	1210.430871	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M-2H+NH4"	16.019271
"872888"	414.156471	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-2H+NH4"	16.019271
"38602"	817.249066	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M-2H+Na"	20.974666
"474881"	1215.386266	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M-2H+Na"	20.974666
"851590"	419.111866	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-2H+Na"	20.974666
"1621124"	419.111866	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Na-2H"	20.974666
"95464"	415.118263	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M-H+Cl"	33.962126
"535388"	614.186863	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M-H+Cl"	33.962126
"927927"	216.049663	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-H+Cl"	33.962126
"268066"	831.243802	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+Cl"	34.969402
"663164"	1229.381002	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+Cl"	34.969402
"1277026"	433.106602	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Cl"	34.969402
"17394"	833.223006	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M-2H+K"	36.948606
"460607"	1231.360206	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M-2H+K"	36.948606
"835124"	435.085806	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-2H+K"	36.948606
"1558247"	435.085806	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+K-2H"	36.948606
"944309"	443.135394	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-H+HCOOH"	44.998194
"361910"	841.272601	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+HCOOH-H"	44.998201
"346158"	855.288251	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+Hac-H"	59.013851
"1493533"	457.151051	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Hac-H"	59.013851
"960593"	465.117351	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-H+NaCOOH"	66.980151
"113881"	433.106602	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+2Cl"	69.938804
"552705"	632.175202	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+2Cl"	69.938804
"1022967"	234.038002	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2Cl"	69.938804
"1244369"	477.056085	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Br"	78.918885
"1307910"	479.112072	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Cl+HCOOH"	80.974872
"1323217"	501.094029	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Cl+NaCOOH"	102.956829
"912815"	511.122786	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M-H+CF3COOH"	112.985586
"1288712"	547.099464	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Cl+CF3COOH"	148.962264
"1367315"	363.124524	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H-2H2O"	-35.012676
"1383399"	381.1345	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H-H2O"	-17.0027
"283525"	797.281676	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+H"	1.007276
"675700"	1195.418876	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+H"	1.007276
"1354740"	399.144476	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H"	1.007276
"126532"	399.144476	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+2H"	2.014552
"572656"	598.213076	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+2H"	2.014552
"1043643"	200.075876	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2H"	2.014552
"207170"	266.432076	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+3H"	3.021828
"644579"	399.144476	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+3H"	3.021828
"1163030"	133.719676	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+3H"	3.021828
"424438"	814.308223	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+NH4"	18.033823
"786204"	1212.445423	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+NH4"	18.033823
"1681308"	416.171023	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+NH4"	18.033823
"331544"	407.6577495	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+H+NH4"	19.041099
"723031"	606.7263495	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+H+NH4"	19.041099
"1479973"	208.5891495	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H+NH4"	19.041099
"394280"	819.263618	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+Na"	22.989218
"755397"	1217.400818	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+Na"	22.989218
"1612128"	421.126418	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Na"	22.989218
"323259"	410.135447	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+H+Na"	23.996494
"711306"	609.204047	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+H+Na"	23.996494
"1469501"	211.066847	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H+Na"	23.996494
"1059467"	141.04699	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2H+Na"	25.00377
"1263333"	431.170686	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+CH3OH+H"	33.033486
"381903"	835.237558	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+K"	38.963158
"748376"	1233.374758	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+K"	38.963158
"1552617"	437.100358	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+K"	38.963158
"309797"	418.122417	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+H+K"	39.970434
"700031"	617.191017	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+H+K"	39.970434
"1457132"	219.053817	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H+K"	39.970434
"243546"	838.308226	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+ACN+H"	42.033826
"1221359"	440.171026	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+ACN+H"	42.033826
"1204513"	220.589151	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+ACN+2H"	43.041102
"199574"	841.24556	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+2Na-H"	44.97116
"640228"	1239.38276	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+2Na-H"	44.97116
"1132675"	443.10836	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2Na-H"	44.97116
"174629"	421.126418	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+2Na"	45.978436
"613948"	620.195018	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+2Na"	45.978436
"1117696"	222.057818	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2Na"	45.978436
"1399398"	148.374304	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H+2Na"	46.985712
"1430460"	445.149946	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H+HCOOH"	47.012746
"224855"	426.15944	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+3H2O+2H"	56.04448
"1513649"	459.20199	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+IsoProp+H"	61.06479
"410780"	429.113388	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+Na+K"	61.952376
"772505"	628.181988	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+Na+K"	61.952376
"1665623"	230.044788	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Na+K"	61.952376
"251824"	860.290168	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+ACN+Na"	64.015768
"1233171"	462.152968	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+ACN+Na"	64.015768
"1716227"	462.176493	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+NH4+HCOOH"	64.039293
"1183041"	155.701618	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+3Na"	68.967654
"1655486"	467.131888	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Na+HCOOH"	68.994688
"167453"	873.19344	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+2K-H"	76.91904
"607748"	1271.33064	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+2K-H"	76.91904
"1086788"	475.05624	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2K-H"	76.91904
"143359"	437.100358	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"2M+2K"	77.926316
"582800"	636.168958	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"3M+2K"	77.926316
"1070955"	238.031758	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2K"	77.926316
"1104534"	477.070792	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2K+H"	78.933592
"1336542"	477.158407	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+DMSO+H"	79.021207
"1009447"	481.197576	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2ACN+H"	83.060376
"1525628"	482.191208	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+IsoProp+Na+H"	84.054008
"990739"	241.102426	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+2ACN+2H"	84.067652
"1587104"	483.105828	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+K+HCOOH"	84.968628
"1414247"	513.137338	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+H+CF3COOH"	115.000138
"1148121"	261.615701	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+3ACN+2H"	125.094202
"1699133"	530.163885	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+NH4+CF3COOH"	132.026685
"1642804"	535.11928	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+Na+CF3COOH"	136.98208
"1574080"	551.09322	"C00019"	"S-Adenosyl-L-methionine;S-Adenosylmethionine;AdoMet;SAM"	"C15H22N6O5S"	"398.1372"	"M+K+CF3COOH"	152.95602
"801635"	347.0631	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M"	0
"989830"	328.04471	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H2O-H"	-19.01839
"73879"	230.368124	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-3H"	-3.021828
"510164"	346.055824	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-3H"	-3.021828
"887966"	114.680424	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-3H"	-3.021828
"14194"	346.055824	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H"	-2.014552
"448290"	519.587374	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H"	-2.014552
"826092"	172.524274	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H"	-2.014552
"90459"	693.118924	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H"	-1.007276
"524553"	1040.182024	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H"	-1.007276
"904541"	346.055824	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H"	-1.007276
"53448"	710.145471	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+NH4"	16.019271
"496289"	1057.208571	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+NH4"	16.019271
"875185"	363.082371	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+NH4"	16.019271
"39806"	715.100866	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+Na"	20.974666
"476084"	1062.163966	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+Na"	20.974666
"851700"	368.037766	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+Na"	20.974666
"1623421"	368.037766	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na-2H"	20.974666
"95938"	364.044163	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H+Cl"	33.962126
"538780"	537.575713	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H+Cl"	33.962126
"930472"	190.512613	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+Cl"	33.962126
"269029"	729.095602	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Cl"	34.969402
"662909"	1076.158702	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Cl"	34.969402
"1277501"	382.032502	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl"	34.969402
"20420"	731.074806	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+K"	36.948606
"459259"	1078.137906	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+K"	36.948606
"834020"	384.011706	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+K"	36.948606
"1556902"	384.011706	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K-2H"	36.948606
"943327"	392.061294	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+HCOOH"	44.998194
"361901"	739.124401	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+HCOOH-H"	44.998201
"346389"	753.140051	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Hac-H"	59.013851
"1493643"	406.076951	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Hac-H"	59.013851
"958757"	414.043251	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+NaCOOH"	66.980151
"111071"	382.032502	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Cl"	69.938804
"550071"	555.564052	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Cl"	69.938804
"1022348"	208.500952	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Cl"	69.938804
"1244116"	425.981985	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Br"	78.918885
"1306563"	428.037972	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+HCOOH"	80.974872
"1321870"	450.019929	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+NaCOOH"	102.956829
"912200"	460.048686	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+CF3COOH"	112.985586
"1289026"	496.025364	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+CF3COOH"	148.962264
"1367074"	312.050424	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-2H2O"	-35.012676
"1383462"	330.0604	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-H2O"	-17.0027
"282943"	695.133476	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H"	1.007276
"675822"	1042.196576	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H"	1.007276
"1351681"	348.070376	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H"	1.007276
"125821"	348.070376	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2H"	2.014552
"565940"	521.601926	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2H"	2.014552
"1042660"	174.538826	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H"	2.014552
"204330"	232.382676	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H"	3.021828
"644396"	348.070376	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+3H"	3.021828
"1162895"	116.694976	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3H"	3.021828
"424302"	712.160023	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+NH4"	18.033823
"785711"	1059.223123	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+NH4"	18.033823
"1681794"	365.096923	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4"	18.033823
"330072"	356.5836495	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+NH4"	19.041099
"723262"	530.1151995	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+NH4"	19.041099
"1478017"	183.0520995	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+NH4"	19.041099
"395484"	717.115418	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na"	22.989218
"758666"	1064.178518	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na"	22.989218
"1605676"	370.052318	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na"	22.989218
"318995"	359.061347	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+Na"	23.996494
"710684"	532.592897	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+Na"	23.996494
"1467423"	185.529797	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+Na"	23.996494
"1057752"	124.02229	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H+Na"	25.00377
"1260158"	380.096586	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+CH3OH+H"	33.033486
"383107"	733.089358	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+K"	38.963158
"748486"	1080.152458	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+K"	38.963158
"1550541"	386.026258	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K"	38.963158
"312094"	367.048317	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+K"	39.970434
"701233"	540.579867	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+K"	39.970434
"1457242"	193.516767	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+K"	39.970434
"241470"	736.160026	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+H"	42.033826
"1217460"	389.096926	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+H"	42.033826
"1202437"	195.052101	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+2H"	43.041102
"199684"	739.09736	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na-H"	44.97116
"639610"	1086.16046	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na-H"	44.97116
"1132419"	392.03426	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na-H"	44.97116
"174251"	370.052318	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na"	45.978436
"613937"	543.583868	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na"	45.978436
"1116833"	196.520768	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na"	45.978436
"1398897"	131.349604	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+2Na"	46.985712
"1431624"	394.075846	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+HCOOH"	47.012746
"223141"	375.08534	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H2O+2H"	56.04448
"1513759"	408.12789	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+H"	61.06479
"411618"	378.039288	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na+K"	61.952376
"772615"	551.570838	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na+K"	61.952376
"1665815"	204.507738	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+K"	61.952376
"251727"	758.141968	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+Na"	64.015768
"1230002"	411.078868	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+Na"	64.015768
"1716703"	411.102393	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+HCOOH"	64.039293
"1183515"	138.676918	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3Na"	68.967654
"1655596"	416.057788	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+HCOOH"	68.994688
"167563"	771.04524	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K-H"	76.91904
"608584"	1118.10834	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K-H"	76.91904
"1090907"	423.98214	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K-H"	76.91904
"142009"	386.026258	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K"	77.926316
"582421"	559.557808	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K"	77.926316
"1069850"	212.494708	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K"	77.926316
"1104644"	425.996692	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K+H"	78.933592
"1336893"	426.084307	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+DMSO+H"	79.021207
"1009557"	430.123476	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+H"	83.060376
"1526591"	431.117108	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+Na+H"	84.054008
"990970"	215.565376	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+2H"	84.067652
"1587906"	432.031728	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+HCOOH"	84.968628
"1414195"	462.063238	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+CF3COOH"	115.000138
"1149324"	236.078651	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3ACN+2H"	125.094202
"1698879"	479.089785	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+CF3COOH"	132.026685
"1646194"	484.04518	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+CF3COOH"	136.98208
"1574190"	500.01912	"C00020"	"AMP;Adenosine 5-monophosphate;Adenylic acid;Adenylate;5-AMP;5-Adenylic acid;5-Adenosine monophosphate;Adenosine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+CF3COOH"	152.95602
"801527"	384.1216	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M"	0
"989515"	365.10321	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-H2O-H"	-19.01839
"73989"	255.073790666667	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M-3H"	-3.021828
"512462"	383.114324	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M-3H"	-3.021828
"889170"	127.033257333333	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-3H"	-3.021828
"11025"	383.114324	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M-2H"	-2.014552
"448400"	575.175124	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M-2H"	-2.014552
"827296"	191.053524	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-2H"	-2.014552
"89476"	767.235924	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M-H"	-1.007276
"526850"	1151.357524	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M-H"	-1.007276
"901371"	383.114324	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-H"	-1.007276
"55745"	784.262471	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M-2H+NH4"	16.019271
"497492"	1168.384071	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M-2H+NH4"	16.019271
"875294"	400.140871	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-2H+NH4"	16.019271
"39916"	789.217866	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M-2H+Na"	20.974666
"475465"	1173.339466	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M-2H+Na"	20.974666
"852175"	405.096266	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-2H+Na"	20.974666
"1623166"	405.096266	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Na-2H"	20.974666
"96777"	401.102663	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M-H+Cl"	33.962126
"538526"	593.163463	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M-H+Cl"	33.962126
"930582"	209.041863	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-H+Cl"	33.962126
"270234"	803.212602	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+Cl"	34.969402
"662654"	1187.334202	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+Cl"	34.969402
"1276519"	419.091002	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Cl"	34.969402
"20166"	805.191806	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M-2H+K"	36.948606
"459368"	1189.313406	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M-2H+K"	36.948606
"834617"	421.070206	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-2H+K"	36.948606
"1558107"	421.070206	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+K-2H"	36.948606
"944894"	429.119794	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-H+HCOOH"	44.998194
"362013"	813.241401	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+HCOOH-H"	44.998201
"346176"	827.257051	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+Hac-H"	59.013851
"1494241"	443.135451	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Hac-H"	59.013851
"959111"	451.101751	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-H+NaCOOH"	66.980151
"110693"	419.091002	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+2Cl"	69.938804
"550616"	611.151802	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+2Cl"	69.938804
"1023918"	227.030202	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2Cl"	69.938804
"1244590"	463.040485	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Br"	78.918885
"1311047"	465.096472	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Cl+HCOOH"	80.974872
"1320279"	487.078429	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Cl+NaCOOH"	102.956829
"911945"	497.107186	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M-H+CF3COOH"	112.985586
"1289381"	533.083864	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Cl+CF3COOH"	148.962264
"1367905"	349.108924	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H-2H2O"	-35.012676
"1382791"	367.1189	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H-H2O"	-17.0027
"283062"	769.250476	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+H"	1.007276
"676420"	1153.372076	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+H"	1.007276
"1351544"	385.128876	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H"	1.007276
"125973"	385.128876	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+2H"	2.014552
"565853"	577.189676	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+2H"	2.014552
"1039489"	193.068076	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2H"	2.014552
"205203"	257.088342666667	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+3H"	3.021828
"645246"	385.128876	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+3H"	3.021828
"1163362"	129.047809333333	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+3H"	3.021828
"425309"	786.277023	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+NH4"	18.033823
"785809"	1170.398623	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+NH4"	18.033823
"1681413"	402.155423	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+NH4"	18.033823
"330385"	393.6421495	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+H+NH4"	19.041099
"723209"	585.7029495	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+H+NH4"	19.041099
"1477438"	201.5813495	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H+NH4"	19.041099
"396692"	791.232418	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+Na"	22.989218
"760968"	1175.354018	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+Na"	22.989218
"1615265"	407.110818	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Na"	22.989218
"319105"	396.119847	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+H+Na"	23.996494
"710432"	588.180647	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+H+Na"	23.996494
"1470814"	204.059047	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H+Na"	23.996494
"1059685"	136.375123333333	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2H+Na"	25.00377
"1263554"	417.155086	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+CH3OH+H"	33.033486
"384310"	807.206358	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+K"	38.963158
"747502"	1191.327958	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+K"	38.963158
"1545180"	423.084758	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+K"	38.963158
"308922"	404.106817	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+H+K"	39.970434
"699157"	596.167617	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+H+K"	39.970434
"1451883"	212.046017	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H+K"	39.970434
"244857"	810.277026	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+ACN+H"	42.033826
"1215379"	426.155426	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+ACN+H"	42.033826
"1201450"	213.581351	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+ACN+2H"	43.041102
"200158"	813.21436	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+2Na-H"	44.97116
"638263"	1197.33596	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+2Na-H"	44.97116
"1139582"	429.09276	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2Na-H"	44.97116
"173995"	407.110818	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+2Na"	45.978436
"616599"	599.171618	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+2Na"	45.978436
"1121927"	215.050018	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2Na"	45.978436
"1403994"	143.702437333333	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H+2Na"	46.985712
"1432462"	431.134346	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H+HCOOH"	47.012746
"224712"	412.14384	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+3H2O+2H"	56.04448
"1511681"	445.18639	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+IsoProp+H"	61.06479
"409905"	415.097788	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+Na+K"	61.952376
"770164"	607.158588	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+Na+K"	61.952376
"1666218"	223.036988	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Na+K"	61.952376
"251675"	832.258968	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+ACN+Na"	64.015768
"1230112"	448.137368	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+ACN+Na"	64.015768
"1715720"	448.160893	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+NH4+HCOOH"	64.039293
"1183625"	151.029751333333	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+3Na"	68.967654
"1652425"	453.116288	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Na+HCOOH"	68.994688
"163662"	845.16224	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+2K-H"	76.91904
"607964"	1229.28384	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+2K-H"	76.91904
"1091017"	461.04064	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2K-H"	76.91904
"141672"	423.084758	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"2M+2K"	77.926316
"581723"	615.145558	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"3M+2K"	77.926316
"1069111"	231.023958	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2K"	77.926316
"1100622"	463.055192	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2K+H"	78.933592
"1336398"	463.142807	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+DMSO+H"	79.021207
"1007481"	467.181976	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2ACN+H"	83.060376
"1527795"	468.175608	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+IsoProp+Na+H"	84.054008
"993148"	234.094626	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+2ACN+2H"	84.067652
"1587894"	469.090228	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+K+HCOOH"	84.968628
"1414523"	499.121738	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+H+CF3COOH"	115.000138
"1148705"	254.607901	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+3ACN+2H"	125.094202
"1698989"	516.148285	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+NH4+CF3COOH"	132.026685
"1646304"	521.10368	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+Na+CF3COOH"	136.98208
"1574300"	537.07762	"C00021"	"S-Adenosyl-L-homocysteine;S-Adenosylhomocysteine"	"C14H20N6O5S"	"384.1216"	"M+K+CF3COOH"	152.95602
"801867"	88.016	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M"	0
"989381"	68.99761	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-H2O-H"	-19.01839
"77258"	57.6700573333333	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M-3H"	-3.021828
"513665"	87.008724	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M-3H"	-3.021828
"892561"	28.3313906666667	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-3H"	-3.021828
"10041"	87.008724	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M-2H"	-2.014552
"447417"	131.016724	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M-2H"	-2.014552
"828500"	43.000724	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-2H"	-2.014552
"90680"	175.024724	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M-H"	-1.007276
"525869"	263.040724	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M-H"	-1.007276
"901484"	87.008724	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-H"	-1.007276
"58042"	192.051271	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M-2H+NH4"	16.019271
"497604"	280.067271	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M-2H+NH4"	16.019271
"877349"	104.035271	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-2H+NH4"	16.019271
"37839"	197.006666	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M-2H+Na"	20.974666
"478492"	285.022666	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M-2H+Na"	20.974666
"852285"	108.990666	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-2H+Na"	20.974666
"1621818"	108.990666	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Na-2H"	20.974666
"96887"	104.997063	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M-H+Cl"	33.962126
"534336"	149.005063	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M-H+Cl"	33.962126
"932152"	60.989063	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-H+Cl"	33.962126
"271803"	211.001402	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+Cl"	34.969402
"665319"	299.017402	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+Cl"	34.969402
"1278816"	122.985402	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Cl"	34.969402
"22464"	212.980606	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M-2H+K"	36.948606
"455787"	300.996606	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M-2H+K"	36.948606
"834365"	124.964606	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-2H+K"	36.948606
"1557124"	124.964606	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+K-2H"	36.948606
"943347"	133.014194	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-H+HCOOH"	44.998194
"361878"	221.030201	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+HCOOH-H"	44.998201
"345830"	235.045851	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+Hac-H"	59.013851
"1493380"	147.029851	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Hac-H"	59.013851
"958979"	154.996151	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-H+NaCOOH"	66.980151
"110133"	122.985402	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+2Cl"	69.938804
"550854"	166.993402	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+2Cl"	69.938804
"1023665"	78.977402	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2Cl"	69.938804
"1245430"	166.934885	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Br"	78.918885
"1308970"	168.990872	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Cl+HCOOH"	80.974872
"1324279"	190.972829	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Cl+NaCOOH"	102.956829
"913150"	201.001586	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M-H+CF3COOH"	112.985586
"1289129"	236.978264	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Cl+CF3COOH"	148.962264
"1375673"	53.003324	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H-2H2O"	-35.012676
"1385516"	71.0133	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H-H2O"	-17.0027
"283053"	177.039276	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+H"	1.007276
"676895"	265.055276	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+H"	1.007276
"1351580"	89.023276	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H"	1.007276
"126372"	89.023276	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+2H"	2.014552
"565707"	133.031276	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+2H"	2.014552
"1039599"	45.015276	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2H"	2.014552
"208593"	59.6846093333333	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+3H"	3.021828
"647060"	89.023276	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+3H"	3.021828
"1163031"	30.3459426666667	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+3H"	3.021828
"428458"	194.065823	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+NH4"	18.033823
"786044"	282.081823	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+NH4"	18.033823
"1681647"	106.049823	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+NH4"	18.033823
"330778"	97.5365495	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+H+NH4"	19.041099
"723568"	141.5445495	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+H+NH4"	19.041099
"1479212"	53.5285495	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H+NH4"	19.041099
"398988"	199.021218	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+Na"	22.989218
"759985"	287.037218	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+Na"	22.989218
"1615375"	111.005218	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Na"	22.989218
"319215"	100.014247	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+H+Na"	23.996494
"712361"	144.022247	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+H+Na"	23.996494
"1466548"	56.006247	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H+Na"	23.996494
"1058700"	37.6732566666667	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2H+Na"	25.00377
"1263662"	121.049486	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+CH3OH+H"	33.033486
"380045"	214.995158	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+K"	38.963158
"746517"	303.011158	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+K"	38.963158
"1546381"	126.979158	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+K"	38.963158
"307937"	108.001217	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+H+K"	39.970434
"694894"	152.009217	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+H+K"	39.970434
"1450899"	63.993217	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H+K"	39.970434
"239500"	218.065826	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+ACN+H"	42.033826
"1212209"	130.049826	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+ACN+H"	42.033826
"1197550"	65.528551	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+ACN+2H"	43.041102
"200268"	221.00316	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+2Na-H"	44.97116
"639465"	309.01916	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+2Na-H"	44.97116
"1141880"	132.98716	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2Na-H"	44.97116
"173254"	111.005218	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+2Na"	45.978436
"613428"	155.013218	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+2Na"	45.978436
"1115833"	66.997218	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2Na"	45.978436
"1399363"	45.0005706666667	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H+2Na"	46.985712
"1438405"	135.028746	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H+HCOOH"	47.012746
"224822"	116.03824	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+3H2O+2H"	56.04448
"1512519"	149.08079	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+IsoProp+H"	61.06479
"409204"	118.992188	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+Na+K"	61.952376
"769944"	163.000188	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+Na+K"	61.952376
"1666206"	74.984188	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Na+K"	61.952376
"251552"	240.047768	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+ACN+Na"	64.015768
"1229129"	152.031768	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+ACN+Na"	64.015768
"1714736"	152.055293	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+NH4+HCOOH"	64.039293
"1179725"	52.3278846666667	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+3Na"	68.967654
"1651442"	157.010688	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Na+HCOOH"	68.994688
"165595"	252.95104	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+2K-H"	76.91904
"603701"	340.96704	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+2K-H"	76.91904
"1086387"	164.93504	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2K-H"	76.91904
"141656"	126.979158	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"2M+2K"	77.926316
"581541"	170.987158	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"3M+2K"	77.926316
"1068609"	82.971158	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2K"	77.926316
"1100122"	166.949592	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2K+H"	78.933592
"1336012"	167.037207	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+DMSO+H"	79.021207
"1005677"	171.076376	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2ACN+H"	83.060376
"1526812"	172.070008	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+IsoProp+Na+H"	84.054008
"990341"	86.041826	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+2ACN+2H"	84.067652
"1587882"	172.984628	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+K+HCOOH"	84.968628
"1414635"	203.016138	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+H+CF3COOH"	115.000138
"1148086"	106.555101	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+3ACN+2H"	125.094202
"1699828"	220.042685	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+NH4+CF3COOH"	132.026685
"1646414"	224.99808	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+Na+CF3COOH"	136.98208
"1574410"	240.97202	"C00022"	"Pyruvate;Pyruvic acid;2-Oxopropanoate;2-Oxopropanoic acid;Pyroracemic acid"	"C3H4O3"	"88.016"	"M+K+CF3COOH"	152.95602
"801629"	55.9349	"C00023"	"Iron"	"Fe"	"55.9349"	"M"	0
"989126"	36.91651	"C00023"	"Iron"	"Fe"	"55.9349"	"M-H2O-H"	-19.01839
"72023"	36.2826573333333	"C00023"	"Iron"	"Fe"	"55.9349"	"2M-3H"	-3.021828
"517054"	54.927624	"C00023"	"Iron"	"Fe"	"55.9349"	"3M-3H"	-3.021828
"892670"	17.6376906666667	"C00023"	"Iron"	"Fe"	"55.9349"	"M-3H"	-3.021828
"12338"	54.927624	"C00023"	"Iron"	"Fe"	"55.9349"	"2M-2H"	-2.014552
"447526"	82.895074	"C00023"	"Iron"	"Fe"	"55.9349"	"3M-2H"	-2.014552
"829702"	26.960174	"C00023"	"Iron"	"Fe"	"55.9349"	"M-2H"	-2.014552
"89695"	110.862524	"C00023"	"Iron"	"Fe"	"55.9349"	"2M-H"	-1.007276
"531442"	166.797424	"C00023"	"Iron"	"Fe"	"55.9349"	"3M-H"	-1.007276
"910343"	54.927624	"C00023"	"Iron"	"Fe"	"55.9349"	"M-H"	-1.007276
"58155"	127.889071	"C00023"	"Iron"	"Fe"	"55.9349"	"2M-2H+NH4"	16.019271
"497713"	183.823971	"C00023"	"Iron"	"Fe"	"55.9349"	"3M-2H+NH4"	16.019271
"874421"	71.954171	"C00023"	"Iron"	"Fe"	"55.9349"	"M-2H+NH4"	16.019271
"43417"	132.844466	"C00023"	"Iron"	"Fe"	"55.9349"	"2M-2H+Na"	20.974666
"486623"	188.779366	"C00023"	"Iron"	"Fe"	"55.9349"	"3M-2H+Na"	20.974666
"857498"	76.909566	"C00023"	"Iron"	"Fe"	"55.9349"	"M-2H+Na"	20.974666
"1623750"	76.909566	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Na-2H"	20.974666
"96269"	72.915963	"C00023"	"Iron"	"Fe"	"55.9349"	"2M-H+Cl"	33.962126
"537287"	100.883413	"C00023"	"Iron"	"Fe"	"55.9349"	"3M-H+Cl"	33.962126
"937729"	44.948513	"C00023"	"Iron"	"Fe"	"55.9349"	"M-H+Cl"	33.962126
"275193"	146.839202	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+Cl"	34.969402
"668709"	202.774102	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+Cl"	34.969402
"1278926"	90.904302	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Cl"	34.969402
"23668"	148.818406	"C00023"	"Iron"	"Fe"	"55.9349"	"2M-2H+K"	36.948606
"461047"	204.753306	"C00023"	"Iron"	"Fe"	"55.9349"	"3M-2H+K"	36.948606
"836662"	92.883506	"C00023"	"Iron"	"Fe"	"55.9349"	"M-2H+K"	36.948606
"1561244"	92.883506	"C00023"	"Iron"	"Fe"	"55.9349"	"M+K-2H"	36.948606
"943294"	100.933094	"C00023"	"Iron"	"Fe"	"55.9349"	"M-H+HCOOH"	44.998194
"361868"	156.868001	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+HCOOH-H"	44.998201
"350132"	170.883651	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+Hac-H"	59.013851
"1495684"	114.948751	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Hac-H"	59.013851
"964319"	122.915051	"C00023"	"Iron"	"Fe"	"55.9349"	"M-H+NaCOOH"	66.980151
"119789"	90.904302	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+2Cl"	69.938804
"553881"	118.871752	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+2Cl"	69.938804
"1029241"	62.936852	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2Cl"	69.938804
"1251006"	134.853785	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Br"	78.918885
"1311267"	136.909772	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Cl+HCOOH"	80.974872
"1327670"	158.891729	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Cl+NaCOOH"	102.956829
"918727"	168.920486	"C00023"	"Iron"	"Fe"	"55.9349"	"M-H+CF3COOH"	112.985586
"1294341"	204.897164	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Cl+CF3COOH"	148.962264
"1375783"	20.922224	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H-2H2O"	-35.012676
"1392185"	38.9322	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H-H2O"	-17.0027
"284948"	112.877076	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+H"	1.007276
"677369"	168.811976	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+H"	1.007276
"1352623"	56.942176	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H"	1.007276
"127333"	56.942176	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+2H"	2.014552
"566041"	84.909626	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+2H"	2.014552
"1038980"	28.974726	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2H"	2.014552
"204320"	38.2972093333333	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+3H"	3.021828
"644413"	56.942176	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+3H"	3.021828
"1163592"	19.6522426666667	"C00023"	"Iron"	"Fe"	"55.9349"	"M+3H"	3.021828
"428568"	129.903623	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+NH4"	18.033823
"785670"	185.838523	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+NH4"	18.033823
"1681393"	73.968723	"C00023"	"Iron"	"Fe"	"55.9349"	"M+NH4"	18.033823
"331132"	65.4554495	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+H+NH4"	19.041099
"723312"	93.4228995	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+H+NH4"	19.041099
"1477862"	37.4879995	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H+NH4"	19.041099
"399098"	134.859018	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+Na"	22.989218
"759002"	190.793918	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+Na"	22.989218
"1609289"	78.924118	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Na"	22.989218
"316409"	67.933147	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+H+Na"	23.996494
"711742"	95.900597	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+H+Na"	23.996494
"1466658"	39.965697	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H+Na"	23.996494
"1057717"	26.9795566666667	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2H+Na"	25.00377
"1262678"	88.968386	"C00023"	"Iron"	"Fe"	"55.9349"	"M+CH3OH+H"	33.033486
"381248"	150.832958	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+K"	38.963158
"746627"	206.767858	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+K"	38.963158
"1544305"	94.898058	"C00023"	"Iron"	"Fe"	"55.9349"	"M+K"	38.963158
"303668"	75.920117	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+H+K"	39.970434
"699376"	103.887567	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+H+K"	39.970434
"1452102"	47.952667	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H+K"	39.970434
"239609"	153.903626	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+ACN+H"	42.033826
"1211589"	97.968726	"C00023"	"Iron"	"Fe"	"55.9349"	"M+ACN+H"	42.033826
"1199483"	49.488001	"C00023"	"Iron"	"Fe"	"55.9349"	"M+ACN+2H"	43.041102
"197826"	156.84096	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+2Na-H"	44.97116
"639575"	212.77586	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+2Na-H"	44.97116
"1138708"	100.90606	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2Na-H"	44.97116
"172874"	78.924118	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+2Na"	45.978436
"614631"	106.891568	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+2Na"	45.978436
"1117772"	50.956668	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2Na"	45.978436
"1399714"	34.3068706666667	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H+2Na"	46.985712
"1434142"	102.947646	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H+HCOOH"	47.012746
"220677"	83.95714	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+3H2O+2H"	56.04448
"1511901"	116.99969	"C00023"	"Iron"	"Fe"	"55.9349"	"M+IsoProp+H"	61.06479
"408550"	86.911088	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+Na+K"	61.952376
"770054"	114.878538	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+Na+K"	61.952376
"1665863"	58.943638	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Na+K"	61.952376
"251650"	175.885568	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+ACN+Na"	64.015768
"1230332"	119.950668	"C00023"	"Iron"	"Fe"	"55.9349"	"M+ACN+Na"	64.015768
"1715210"	119.974193	"C00023"	"Iron"	"Fe"	"55.9349"	"M+NH4+HCOOH"	64.039293
"1179835"	41.6341846666667	"C00023"	"Iron"	"Fe"	"55.9349"	"M+3Na"	68.967654
"1650456"	124.929588	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Na+HCOOH"	68.994688
"160237"	188.78884	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+2K-H"	76.91904
"601985"	244.72374	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+2K-H"	76.91904
"1089051"	132.85394	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2K-H"	76.91904
"142952"	94.898058	"C00023"	"Iron"	"Fe"	"55.9349"	"2M+2K"	77.926316
"581407"	122.865508	"C00023"	"Iron"	"Fe"	"55.9349"	"3M+2K"	77.926316
"1068844"	66.930608	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2K"	77.926316
"1100027"	134.868492	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2K+H"	78.933592
"1336253"	134.956107	"C00023"	"Iron"	"Fe"	"55.9349"	"M+DMSO+H"	79.021207
"1005674"	138.995276	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2ACN+H"	83.060376
"1526922"	139.988908	"C00023"	"Iron"	"Fe"	"55.9349"	"M+IsoProp+Na+H"	84.054008
"990284"	70.001276	"C00023"	"Iron"	"Fe"	"55.9349"	"M+2ACN+2H"	84.067652
"1587139"	140.903528	"C00023"	"Iron"	"Fe"	"55.9349"	"M+K+HCOOH"	84.968628
"1414419"	170.935038	"C00023"	"Iron"	"Fe"	"55.9349"	"M+H+CF3COOH"	115.000138
"1148560"	90.514551	"C00023"	"Iron"	"Fe"	"55.9349"	"M+3ACN+2H"	125.094202
"1702124"	187.961585	"C00023"	"Iron"	"Fe"	"55.9349"	"M+NH4+CF3COOH"	132.026685
"1646524"	192.91698	"C00023"	"Iron"	"Fe"	"55.9349"	"M+Na+CF3COOH"	136.98208
"1574884"	208.89092	"C00023"	"Iron"	"Fe"	"55.9349"	"M+K+CF3COOH"	152.95602
"804885"	809.1258	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M"	0
"988264"	790.10741	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-H2O-H"	-19.01839
"72133"	538.409924	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M-3H"	-3.021828
"513885"	808.118524	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M-3H"	-3.021828
"890594"	268.701324	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-3H"	-3.021828
"11355"	808.118524	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M-2H"	-2.014552
"450916"	1212.681424	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M-2H"	-2.014552
"827626"	403.555624	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-2H"	-2.014552
"90898"	1617.244324	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M-H"	-1.007276
"531431"	2426.370124	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M-H"	-1.007276
"910816"	808.118524	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-H"	-1.007276
"58265"	1634.270871	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M-2H+NH4"	16.019271
"497823"	2443.396671	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M-2H+NH4"	16.019271
"875624"	825.145071	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-2H+NH4"	16.019271
"44620"	1639.226266	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M-2H+Na"	20.974666
"484179"	2448.352066	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M-2H+Na"	20.974666
"855421"	830.100466	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-2H+Na"	20.974666
"1621673"	830.100466	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Na-2H"	20.974666
"94833"	826.106863	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M-H+Cl"	33.962126
"535329"	1230.669763	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M-H+Cl"	33.962126
"937839"	421.543963	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-H+Cl"	33.962126
"278583"	1653.221002	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+Cl"	34.969402
"668819"	2462.346802	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+Cl"	34.969402
"1279036"	844.095202	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Cl"	34.969402
"22684"	1655.200206	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M-2H+K"	36.948606
"461157"	2464.326006	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M-2H+K"	36.948606
"833492"	846.074406	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-2H+K"	36.948606
"1559168"	846.074406	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+K-2H"	36.948606
"942996"	854.123994	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-H+HCOOH"	44.998194
"362344"	1663.249801	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+HCOOH-H"	44.998201
"348055"	1677.265451	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+Hac-H"	59.013851
"1494822"	868.139651	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Hac-H"	59.013851
"964429"	876.105951	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-H+NaCOOH"	66.980151
"113338"	844.095202	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+2Cl"	69.938804
"556177"	1248.658102	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+2Cl"	69.938804
"1026070"	439.532302	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2Cl"	69.938804
"1252210"	888.044685	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Br"	78.918885
"1310282"	890.100672	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Cl+HCOOH"	80.974872
"1326685"	912.082629	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Cl+NaCOOH"	102.956829
"921024"	922.111386	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M-H+CF3COOH"	112.985586
"1294451"	958.088064	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Cl+CF3COOH"	148.962264
"1372612"	774.113124	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H-2H2O"	-35.012676
"1389015"	792.1231	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H-H2O"	-17.0027
"289796"	1619.258876	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+H"	1.007276
"680033"	2428.384676	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+H"	1.007276
"1353099"	810.133076	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H"	1.007276
"129270"	810.133076	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+2H"	2.014552
"566632"	1214.695976	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+2H"	2.014552
"1040913"	405.570176	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2H"	2.014552
"206626"	540.424476	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+3H"	3.021828
"646186"	810.133076	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+3H"	3.021828
"1163339"	270.715876	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+3H"	3.021828
"430865"	1636.285423	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+NH4"	18.033823
"790767"	2445.411223	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+NH4"	18.033823
"1682114"	827.159623	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+NH4"	18.033823
"332095"	818.6463495	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+H+NH4"	19.041099
"726705"	1223.2092495	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+H+NH4"	19.041099
"1480526"	414.0834495	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H+NH4"	19.041099
"395200"	1641.240818	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+Na"	22.989218
"762392"	2450.366618	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+Na"	22.989218
"1607212"	832.115018	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Na"	22.989218
"317973"	821.124047	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+H+Na"	23.996494
"710391"	1225.686947	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+H+Na"	23.996494
"1464941"	416.561147	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H+Na"	23.996494
"1056734"	278.04319	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2H+Na"	25.00377
"1259504"	842.159286	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+CH3OH+H"	33.033486
"379534"	1657.214758	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+K"	38.963158
"744551"	2466.340558	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+K"	38.963158
"1545509"	848.088958	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+K"	38.963158
"304872"	829.111017	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+H+K"	39.970434
"699486"	1233.673917	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+H+K"	39.970434
"1456587"	424.548117	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H+K"	39.970434
"240812"	1660.285426	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+ACN+H"	42.033826
"1216802"	851.159626	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+ACN+H"	42.033826
"1201779"	426.083451	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+ACN+2H"	43.041102
"193556"	1663.22276	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+2Na-H"	44.97116
"637498"	2472.34856	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+2Na-H"	44.97116
"1139911"	854.09696	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2Na-H"	44.97116
"174935"	832.115018	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+2Na"	45.978436
"615106"	1236.677918	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+2Na"	45.978436
"1118977"	427.552118	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2Na"	45.978436
"1401044"	285.370504	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H+2Na"	46.985712
"1435344"	856.138546	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H+HCOOH"	47.012746
"220781"	837.14804	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+3H2O+2H"	56.04448
"1512011"	870.19059	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+IsoProp+H"	61.06479
"410237"	840.101988	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+Na+K"	61.952376
"770979"	1244.664888	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+Na+K"	61.952376
"1666581"	435.539088	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Na+K"	61.952376
"252738"	1682.267368	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+ACN+Na"	64.015768
"1229349"	873.141568	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+ACN+Na"	64.015768
"1714227"	873.165093	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+NH4+HCOOH"	64.039293
"1179702"	292.697818	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+3Na"	68.967654
"1651661"	878.120488	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Na+HCOOH"	68.994688
"161075"	1695.17064	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+2K-H"	76.91904
"602824"	2504.29644	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+2K-H"	76.91904
"1088797"	886.04484	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2K-H"	76.91904
"142696"	848.088958	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"2M+2K"	77.926316
"582622"	1252.651858	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"3M+2K"	77.926316
"1068545"	443.526058	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2K"	77.926316
"1100091"	888.059392	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2K+H"	78.933592
"1336239"	888.147007	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+DMSO+H"	79.021207
"1005984"	892.186176	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2ACN+H"	83.060376
"1527032"	893.179808	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+IsoProp+Na+H"	84.054008
"992749"	446.596726	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+2ACN+2H"	84.067652
"1587129"	894.094428	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+K+HCOOH"	84.968628
"1414280"	924.125938	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+H+CF3COOH"	115.000138
"1147942"	467.110001	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+3ACN+2H"	125.094202
"1702234"	941.152485	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+NH4+CF3COOH"	132.026685
"1646634"	946.10788	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+Na+CF3COOH"	136.98208
"1574630"	962.08182	"C00024"	"Acetyl-CoA;Acetyl coenzyme A"	"C23H38N7O17P3S"	"809.1258"	"M+K+CF3COOH"	152.95602
"802320"	147.0532	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M"	0
"989467"	128.03481	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"73336"	97.0281906666667	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"512901"	146.045924	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"888516"	48.0104573333333	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"8184"	146.045924	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"448837"	219.572524	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"824453"	72.519324	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"89914"	293.099124	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"524006"	440.152324	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"908370"	146.045924	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"59466"	310.125671	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"501580"	457.178871	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"876827"	163.072471	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"42542"	315.081066	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"478822"	462.134266	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"856624"	168.027866	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1621783"	168.027866	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"95146"	164.034263	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"535069"	237.560863	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"939042"	90.507663	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"278693"	329.075802	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"668929"	476.129002	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1280239"	182.022602	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"23887"	331.055006	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"461267"	478.108206	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"833723"	184.001806	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1556724"	184.001806	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"947161"	192.051394	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"362333"	339.104601	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"346341"	353.120251	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1493471"	206.067051	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"961258"	214.033351	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"113447"	182.022602	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"558473"	255.549202	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1026180"	108.496002	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1251227"	225.972085	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1307112"	228.028072	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1323515"	250.010029	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"918947"	260.038786	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1293468"	296.015464	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1372722"	112.040524	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1386938"	130.0505	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"289906"	295.113676	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"676496"	442.166876	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1352359"	148.060476	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"126947"	148.060476	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"566623"	221.587076	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1039929"	74.533876	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"207829"	99.0427426666667	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"646296"	148.060476	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1163081"	50.0250093333333	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"424488"	312.140223	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"790877"	459.193423	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1681491"	165.087023	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"332205"	156.5737495	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"725721"	230.1003495	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1481729"	83.0471495	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"396767"	317.095618	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"762502"	464.148818	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1607321"	170.042418	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"318812"	159.051447	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"711960"	232.578047	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1464687"	85.524847	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1056111"	57.3523233333333	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1259611"	180.086686	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"378423"	333.069558	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"742470"	480.122758	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1542336"	186.016358	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"300606"	167.038417	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"696316"	240.565017	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1455603"	93.511817	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"240922"	336.140226	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1216912"	189.087026	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1202982"	95.047151	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"194760"	339.07756	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"639792"	486.13076	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1141110"	192.02436	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"174193"	170.042418	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"615219"	243.569018	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1117020"	96.515818	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1400425"	64.6796373333333	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1434361"	194.065946	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"220648"	175.07544	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1509446"	208.11799	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"409494"	178.029388	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"770728"	251.555988	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1666248"	104.502788	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"252484"	358.122168	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1230552"	211.068968	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1716159"	211.092493	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1179809"	72.0069513333333	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1651041"	216.047888	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"160092"	371.02544	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"600747"	518.07864	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1090000"	223.97224	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"143171"	186.016358	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"583098"	259.542958	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1068938"	112.489758	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1100444"	225.986792	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1336838"	226.074407	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1006093"	230.113576	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1527142"	231.107208	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"992495"	115.560426	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1587357"	232.021828	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1414841"	262.053338	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1147688"	136.073701	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1702344"	279.079885	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1646744"	284.03528	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1574740"	300.00922	"C00025"	"L-Glutamate;L-Glutamic acid;L-Glutaminic acid;Glutamate"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"810573"	146.0215	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M"	0
"989458"	127.00311	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-H2O-H"	-19.01839
"72353"	96.3403906666667	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M-3H"	-3.021828
"513010"	145.014224	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M-3H"	-3.021828
"891906"	47.6665573333333	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-3H"	-3.021828
"11574"	145.014224	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M-2H"	-2.014552
"446763"	218.024974	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M-2H"	-2.014552
"823471"	72.003474	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-2H"	-2.014552
"90024"	291.035724	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M-H"	-1.007276
"527397"	437.057224	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M-H"	-1.007276
"907387"	145.014224	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-H"	-1.007276
"60428"	308.062271	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M-2H+NH4"	16.019271
"500230"	454.083771	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M-2H+NH4"	16.019271
"871470"	162.040771	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-2H+NH4"	16.019271
"41556"	313.017666	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M-2H+Na"	20.974666
"484397"	459.039166	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M-2H+Na"	20.974666
"862200"	166.996166	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-2H+Na"	20.974666
"1622987"	166.996166	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Na-2H"	20.974666
"99516"	163.002563	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M-H+Cl"	33.962126
"534938"	236.013313	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M-H+Cl"	33.962126
"931497"	89.991813	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-H+Cl"	33.962126
"269325"	327.012402	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+Cl"	34.969402
"661383"	473.033902	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+Cl"	34.969402
"1280348"	180.990902	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Cl"	34.969402
"20718"	328.991606	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M-2H+K"	36.948606
"461377"	475.013106	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M-2H+K"	36.948606
"834805"	182.970106	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-2H+K"	36.948606
"1559386"	182.970106	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+K-2H"	36.948606
"953832"	191.019694	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-H+HCOOH"	44.998194
"368766"	337.041201	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+HCOOH-H"	44.998201
"349369"	351.056851	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+Hac-H"	59.013851
"1492919"	205.035351	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Hac-H"	59.013851
"964649"	213.001651	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-H+NaCOOH"	66.980151
"114651"	180.990902	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+2Cl"	69.938804
"557490"	254.001652	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+2Cl"	69.938804
"1026290"	107.980152	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2Cl"	69.938804
"1251337"	224.940385	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Br"	78.918885
"1307222"	226.996372	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Cl+HCOOH"	80.974872
"1323625"	248.978329	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Cl+NaCOOH"	102.956829
"919057"	259.007086	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M-H+CF3COOH"	112.985586
"1293578"	294.983764	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Cl+CF3COOH"	148.962264
"1376112"	111.008824	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H-2H2O"	-35.012676
"1392515"	129.0188	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H-H2O"	-17.0027
"295483"	293.050276	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+H"	1.007276
"683533"	439.071776	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+H"	1.007276
"1356602"	147.028776	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H"	1.007276
"127304"	147.028776	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+2H"	2.014552
"570145"	220.039526	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+2H"	2.014552
"1040039"	74.018026	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2H"	2.014552
"206846"	98.3549426666667	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+3H"	3.021828
"647499"	147.028776	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+3H"	3.021828
"1162947"	49.6811093333333	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+3H"	3.021828
"424515"	310.076823	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+NH4"	18.033823
"790987"	456.098323	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+NH4"	18.033823
"1681481"	164.055323	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+NH4"	18.033823
"333409"	155.5420495	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+H+NH4"	19.041099
"724008"	228.5527995	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+H+NH4"	19.041099
"1479652"	82.5312995	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H+NH4"	19.041099
"399427"	315.032218	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+Na"	22.989218
"758238"	461.053718	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+Na"	22.989218
"1609617"	169.010718	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Na"	22.989218
"317468"	158.019747	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+H+Na"	23.996494
"712072"	231.030497	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+H+Na"	23.996494
"1462975"	85.008997	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H+Na"	23.996494
"1056587"	57.0084233333333	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2H+Na"	25.00377
"1260452"	179.054986	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+CH3OH+H"	33.033486
"379750"	331.006158	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+K"	38.963158
"741855"	477.027658	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+K"	38.963158
"1544634"	184.984658	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+K"	38.963158
"301080"	166.006717	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+H+K"	39.970434
"699705"	239.017467	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+H+K"	39.970434
"1455348"	92.995967	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H+K"	39.970434
"241032"	334.076826	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+ACN+H"	42.033826
"1215928"	188.055326	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+ACN+H"	42.033826
"1197259"	94.531301	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+ACN+2H"	43.041102
"194870"	337.01416	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+2Na-H"	44.97116
"636622"	483.03566	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+2Na-H"	44.97116
"1136116"	190.99266	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2Na-H"	44.97116
"179048"	169.010718	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+2Na"	45.978436
"616422"	242.021468	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+2Na"	45.978436
"1121020"	95.999968	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2Na"	45.978436
"1401264"	64.3357373333333	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H+2Na"	46.985712
"1434473"	193.034246	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H+HCOOH"	47.012746
"223074"	174.04374	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+3H2O+2H"	56.04448
"1511498"	207.08629	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+IsoProp+H"	61.06479
"410821"	176.997688	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+Na+K"	61.952376
"771211"	250.008438	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+Na+K"	61.952376
"1666686"	103.986938	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Na+K"	61.952376
"252236"	356.058768	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+ACN+Na"	64.015768
"1232849"	210.037268	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+ACN+Na"	64.015768
"1716268"	210.060793	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+NH4+HCOOH"	64.039293
"1180894"	71.6630513333333	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+3Na"	68.967654
"1652975"	215.016188	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Na+HCOOH"	68.994688
"161295"	368.96204	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+2K-H"	76.91904
"605597"	514.98354	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+2K-H"	76.91904
"1090110"	222.94054	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2K-H"	76.91904
"150937"	184.984658	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"2M+2K"	77.926316
"582110"	257.995408	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"3M+2K"	77.926316
"1069904"	111.973908	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2K"	77.926316
"1100190"	224.955092	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2K+H"	78.933592
"1336948"	225.042707	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+DMSO+H"	79.021207
"1006812"	229.081876	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2ACN+H"	83.060376
"1528345"	230.075508	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+IsoProp+Na+H"	84.054008
"990656"	115.044576	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+2ACN+2H"	84.067652
"1587835"	230.990128	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+K+HCOOH"	84.968628
"1415324"	261.021638	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+H+CF3COOH"	115.000138
"1149622"	135.557851	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+3ACN+2H"	125.094202
"1703549"	278.048185	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+NH4+CF3COOH"	132.026685
"1646854"	283.00358	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+Na+CF3COOH"	136.98208
"1578130"	298.97752	"C00026"	"2-Oxoglutarate;Oxoglutaric acid;2-Ketoglutaric acid;alpha-Ketoglutaric acid"	"C5H6O5"	"146.0215"	"M+K+CF3COOH"	152.95602
"813967"	34.0055	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M"	0
"986408"	14.98711	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-H2O-H"	-19.01839
"64809"	21.6630573333333	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M-3H"	-3.021828
"514214"	32.998224	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M-3H"	-3.021828
"887643"	10.3278906666667	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-3H"	-3.021828
"7310"	32.998224	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M-2H"	-2.014552
"445778"	50.000974	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M-2H"	-2.014552
"825765"	15.995474	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-2H"	-2.014552
"84664"	67.003724	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M-H"	-1.007276
"527507"	101.009224	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M-H"	-1.007276
"903123"	32.998224	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-H"	-1.007276
"53124"	84.030271	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M-2H+NH4"	16.019271
"500339"	118.035771	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M-2H+NH4"	16.019271
"874860"	50.024771	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-2H+NH4"	16.019271
"45678"	88.985666	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M-2H+Na"	20.974666
"485240"	122.991166	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M-2H+Na"	20.974666
"853565"	54.980166	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-2H+Na"	20.974666
"1625284"	54.980166	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Na-2H"	20.974666
"94884"	50.986563	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M-H+Cl"	33.962126
"534604"	67.989313	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M-H+Cl"	33.962126
"927597"	33.983813	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-H+Cl"	33.962126
"271258"	102.980402	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+Cl"	34.969402
"663313"	136.985902	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+Cl"	34.969402
"1274985"	68.974902	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Cl"	34.969402
"19010"	104.959606	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M-2H+K"	36.948606
"459301"	138.965106	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M-2H+K"	36.948606
"833496"	70.954106	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-2H+K"	36.948606
"1560591"	70.954106	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+K-2H"	36.948606
"943001"	79.003694	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-H+HCOOH"	44.998194
"366689"	113.009201	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+HCOOH-H"	44.998201
"346563"	127.024851	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+Hac-H"	59.013851
"1493126"	93.019351	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Hac-H"	59.013851
"965853"	100.985651	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-H+NaCOOH"	66.980151
"115853"	68.974902	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+2Cl"	69.938804
"555413"	85.977652	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+2Cl"	69.938804
"1026399"	51.972152	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2Cl"	69.938804
"1249260"	112.924385	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Br"	78.918885
"1307332"	114.980372	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Cl+HCOOH"	80.974872
"1323735"	136.962329	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Cl+NaCOOH"	102.956829
"915887"	146.991086	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M-H+CF3COOH"	112.985586
"1300248"	182.967764	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Cl+CF3COOH"	148.962264
"1378409"	-1.007176	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H-2H2O"	-35.012676
"1395906"	17.0028	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H-H2O"	-17.0027
"296687"	69.018276	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+H"	1.007276
"680363"	103.023776	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+H"	1.007276
"1355618"	35.012776	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H"	1.007276
"127413"	35.012776	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+2H"	2.014552
"568068"	52.015526	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+2H"	2.014552
"1037961"	18.010026	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2H"	2.014552
"204521"	23.6776093333333	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+3H"	3.021828
"644565"	35.012776	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+3H"	3.021828
"1163908"	12.3424426666667	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+3H"	3.021828
"424867"	86.044823	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+NH4"	18.033823
"787816"	120.050323	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+NH4"	18.033823
"1686335"	52.039323	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+NH4"	18.033823
"333519"	43.5260495	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+H+NH4"	19.041099
"727034"	60.5287995	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+H+NH4"	19.041099
"1479761"	26.5232995	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H+NH4"	19.041099
"395160"	91.000218	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+Na"	22.989218
"758346"	125.005718	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+Na"	22.989218
"1606446"	56.994718	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Na"	22.989218
"320853"	46.003747	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+H+Na"	23.996494
"711088"	63.006497	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+H+Na"	23.996494
"1464182"	29.000997	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H+Na"	23.996494
"1054144"	19.6697566666667	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2H+Na"	25.00377
"1257642"	67.038986	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+CH3OH+H"	33.033486
"378413"	106.974158	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+K"	38.963158
"741598"	140.979658	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+K"	38.963158
"1540731"	72.968658	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+K"	38.963158
"298796"	53.990717	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+H+K"	39.970434
"698720"	70.993467	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+H+K"	39.970434
"1454727"	36.987967	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H+K"	39.970434
"240050"	110.044826	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+ACN+H"	42.033826
"1214946"	76.039326	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+ACN+H"	42.033826
"1199922"	38.523301	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+ACN+2H"	43.041102
"191703"	112.98216	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+2Na-H"	44.97116
"629805"	146.98766	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+2Na-H"	44.97116
"1142793"	78.97666	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2Na-H"	44.97116
"183895"	56.994718	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+2Na"	45.978436
"621998"	73.997468	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+2Na"	45.978436
"1122225"	39.991968	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2Na"	45.978436
"1410122"	26.9970706666667	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H+2Na"	46.985712
"1436768"	81.018246	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H+HCOOH"	47.012746
"226463"	62.02774	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+3H2O+2H"	56.04448
"1512338"	95.07029	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+IsoProp+H"	61.06479
"409839"	64.981688	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+Na+K"	61.952376
"771558"	81.984438	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+Na+K"	61.952376
"1666431"	47.978938	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Na+K"	61.952376
"256970"	132.026768	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+ACN+Na"	64.015768
"1230772"	98.021268	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+ACN+Na"	64.015768
"1716379"	98.044793	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+NH4+HCOOH"	64.039293
"1179912"	34.3243846666667	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+3Na"	68.967654
"1653087"	103.000188	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Na+HCOOH"	68.994688
"160678"	144.93004	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+2K-H"	76.91904
"598416"	178.93554	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+2K-H"	76.91904
"1085965"	110.92454	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2K-H"	76.91904
"141562"	72.968658	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"2M+2K"	77.926316
"582100"	89.971408	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"3M+2K"	77.926316
"1068521"	55.965908	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2K"	77.926316
"1099976"	112.939092	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2K+H"	78.933592
"1335755"	113.026707	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+DMSO+H"	79.021207
"1006435"	117.065876	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2ACN+H"	83.060376
"1524396"	118.059508	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+IsoProp+Na+H"	84.054008
"992715"	59.036576	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+2ACN+2H"	84.067652
"1587125"	118.974128	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+K+HCOOH"	84.968628
"1414332"	149.005638	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+H+CF3COOH"	115.000138
"1147904"	79.549851	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+3ACN+2H"	125.094202
"1698187"	166.032185	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+NH4+CF3COOH"	132.026685
"1641497"	170.98758	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+Na+CF3COOH"	136.98208
"1574960"	186.96152	"C00027"	"Hydrogen peroxide;H2O2;Oxydol"	"H2O2"	"34.0055"	"M+K+CF3COOH"	152.95602
"808607"	566.055	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M"	0
"978864"	547.03661	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-H2O-H"	-19.01839
"73667"	376.362724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M-3H"	-3.021828
"514323"	565.047724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M-3H"	-3.021828
"893587"	187.677724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-3H"	-3.021828
"5234"	565.047724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M-2H"	-2.014552
"446982"	848.075224	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M-2H"	-2.014552
"824784"	282.020224	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-2H"	-2.014552
"84775"	1131.102724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M-H"	-1.007276
"530778"	1697.157724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M-H"	-1.007276
"903233"	565.047724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-H"	-1.007276
"51411"	1148.129271	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M-2H+NH4"	16.019271
"491698"	1714.184271	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M-2H+NH4"	16.019271
"874970"	582.074271	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-2H+NH4"	16.019271
"42870"	1153.084666	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M-2H+Na"	20.974666
"484619"	1719.139666	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M-2H+Na"	20.974666
"852943"	587.029666	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-2H+Na"	20.974666
"1622476"	587.029666	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Na-2H"	20.974666
"98639"	583.036063	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M-H+Cl"	33.962126
"535647"	866.063563	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M-H+Cl"	33.962126
"930982"	300.008563	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-H+Cl"	33.962126
"268080"	1167.079402	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+Cl"	34.969402
"663788"	1733.134402	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+Cl"	34.969402
"1278381"	601.024402	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Cl"	34.969402
"23130"	1169.058606	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M-2H+K"	36.948606
"461598"	1735.113606	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M-2H+K"	36.948606
"839400"	603.003606	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-2H+K"	36.948606
"1565075"	603.003606	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+K-2H"	36.948606
"950771"	611.053194	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-H+HCOOH"	44.998194
"365707"	1177.108201	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+HCOOH-H"	44.998201
"349591"	1191.123851	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+Hac-H"	59.013851
"1500610"	625.068851	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Hac-H"	59.013851
"967058"	633.035151	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-H+NaCOOH"	66.980151
"122525"	601.024402	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+2Cl"	69.938804
"562814"	884.051902	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+2Cl"	69.938804
"1028698"	317.996902	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2Cl"	69.938804
"1252651"	644.973885	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Br"	78.918885
"1314004"	647.029872	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Cl+HCOOH"	80.974872
"1327126"	669.011829	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Cl+NaCOOH"	102.956829
"919276"	679.040586	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M-H+CF3COOH"	112.985586
"1294890"	715.017264	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Cl+CF3COOH"	148.962264
"1376333"	531.042324	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H-2H2O"	-35.012676
"1392737"	549.0523	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H-H2O"	-17.0027
"291330"	1133.117276	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+H"	1.007276
"680472"	1699.172276	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+H"	1.007276
"1354636"	567.062276	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H"	1.007276
"128618"	567.062276	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+2H"	2.014552
"569271"	850.089776	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+2H"	2.014552
"1041351"	284.034776	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2H"	2.014552
"208156"	378.377276	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+3H"	3.021828
"649904"	567.062276	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+3H"	3.021828
"1165110"	189.692276	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+3H"	3.021828
"428020"	1150.143823	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+NH4"	18.033823
"790113"	1716.198823	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+NH4"	18.033823
"1686445"	584.088823	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+NH4"	18.033823
"334723"	575.5755495	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+H+NH4"	19.041099
"727145"	858.6030495	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+H+NH4"	19.041099
"1484245"	292.5480495	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H+NH4"	19.041099
"396364"	1155.099218	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+Na"	22.989218
"758092"	1721.154218	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+Na"	22.989218
"1608741"	589.044218	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Na"	22.989218
"322056"	578.053247	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+H+Na"	23.996494
"712290"	861.080747	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+H+Na"	23.996494
"1463927"	295.025747	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H+Na"	23.996494
"1055713"	197.01959	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2H+Na"	25.00377
"1259214"	599.088486	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+CH3OH+H"	33.033486
"379980"	1171.073158	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+K"	38.963158
"739154"	1737.128158	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+K"	38.963158
"1541574"	605.018158	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+K"	38.963158
"299844"	586.040217	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+H+K"	39.970434
"702113"	869.067717	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+H+K"	39.970434
"1454838"	303.012717	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H+K"	39.970434
"245626"	1174.143826	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+ACN+H"	42.033826
"1215058"	608.088826	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+ACN+H"	42.033826
"1200033"	304.548051	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+ACN+2H"	43.041102
"191813"	1177.08116	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+2Na-H"	44.97116
"637936"	1743.13616	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+2Na-H"	44.97116
"1132691"	611.02616	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2Na-H"	44.97116
"178172"	589.044218	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+2Na"	45.978436
"623204"	872.071718	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+2Na"	45.978436
"1126710"	306.016718	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2Na"	45.978436
"1412418"	204.346904	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H+2Na"	46.985712
"1436879"	613.067746	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H+HCOOH"	47.012746
"229854"	594.07724	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+3H2O+2H"	56.04448
"1519011"	627.11979	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+IsoProp+H"	61.06479
"415416"	597.031188	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+Na+K"	61.952376
"770583"	880.058688	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+Na+K"	61.952376
"1667279"	314.003688	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Na+K"	61.952376
"253437"	1196.125768	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+ACN+Na"	64.015768
"1231249"	630.070768	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+ACN+Na"	64.015768
"1719042"	630.094293	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+NH4+HCOOH"	64.039293
"1180022"	211.674218	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+3Na"	68.967654
"1652467"	635.049688	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Na+HCOOH"	68.994688
"158235"	1209.02904	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+2K-H"	76.91904
"598160"	1775.08404	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+2K-H"	76.91904
"1085336"	642.97404	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2K-H"	76.91904
"142037"	605.018158	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"2M+2K"	77.926316
"583548"	888.045658	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"3M+2K"	77.926316
"1069507"	321.990658	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2K"	77.926316
"1100001"	644.988592	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2K+H"	78.933592
"1336074"	645.076207	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+DMSO+H"	79.021207
"1005936"	649.115376	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2ACN+H"	83.060376
"1526378"	650.109008	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+IsoProp+Na+H"	84.054008
"990264"	325.061326	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+2ACN+2H"	84.067652
"1587321"	651.023628	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+K+HCOOH"	84.968628
"1415417"	681.055138	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+H+CF3COOH"	115.000138
"1147083"	345.574601	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+3ACN+2H"	125.094202
"1697010"	698.081685	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+NH4+CF3COOH"	132.026685
"1636139"	703.03708	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+Na+CF3COOH"	136.98208
"1573977"	719.01102	"C00029"	"UDP-glucose;UDPglucose;UDP-D-glucose;Uridine diphosphate glucose;UDP-alpha-D-glucose"	"C15H24N2O17P2"	"566.055"	"M+K+CF3COOH"	152.95602
"816374"	180.0634	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M"	0
"975694"	161.04501	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"73779"	119.034990666667	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"511154"	179.056124	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"885676"	59.0138573333333	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8621"	179.056124	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"448181"	269.087824	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"823801"	89.024424	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"85979"	359.119524	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"524447"	539.182924	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"905531"	179.056124	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"51521"	376.146071	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"491811"	556.209471	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"872893"	196.082671	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"40793"	381.101466	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"481449"	561.164866	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"854875"	201.038066	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1626596"	201.038066	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"96928"	197.044463	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"539404"	287.076163	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"931095"	107.012763	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"271112"	395.096202	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"662074"	575.159602	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1275204"	215.032802	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"18493"	397.075406	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"458053"	577.138806	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"839509"	217.012006	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1562997"	217.012006	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"948694"	225.061594	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"365817"	405.125001	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351886"	419.140651	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1500718"	239.077251	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"971542"	247.043551	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"117166"	215.032802	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"560008"	305.064502	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1030995"	125.001102	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1251666"	258.982285	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1315207"	261.038272	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1327236"	283.020229	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919389"	293.048986	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1295002"	329.025664	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1377536"	145.050724	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1397949"	163.0607	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"293628"	361.134076	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"680583"	541.197476	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1356933"	181.070676	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"132008"	181.070676	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"574851"	271.102376	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1042556"	91.038976	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"209363"	121.049542666667	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"648922"	181.070676	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1164857"	61.0284093333333	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"429225"	378.160623	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"793504"	558.224023	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1686556"	198.097223	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"338114"	189.5839495	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"728348"	279.6156495	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1485449"	99.5522495	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"400120"	383.116018	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"760755"	563.179418	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1606668"	203.052618	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"319981"	192.061647	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"711310"	282.093347	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1463673"	102.029947	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1056191"	68.3557233333333	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1261509"	213.096886	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"380810"	399.089958	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"741081"	579.153358	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1544965"	219.026558	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"308705"	200.048617	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"701128"	290.080317	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1451666"	110.016917	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"245736"	402.160626	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1215166"	222.097226	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1198683"	111.552251	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"192287"	405.09796	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"639139"	585.16136	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1143377"	225.03456	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"183753"	203.052618	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624406"	293.084318	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1126819"	113.020918	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410343"	75.6830373333333	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1441364"	227.076146	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231062"	208.08564	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1519122"	241.12819	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"417713"	211.039588	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"773245"	301.071288	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1667753"	121.007888	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"255371"	424.142568	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1232088"	244.079168	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1719153"	244.102693	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1183048"	83.0103513333333	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1652215"	249.058088	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"157982"	437.04584	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"598516"	617.10924	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1088254"	256.98244	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"142883"	219.026558	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"582687"	309.058258	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1069255"	128.994858	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1100314"	258.996992	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1336915"	259.084607	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1008362"	263.123776	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1528675"	264.117408	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"990380"	132.065526	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1587315"	265.032028	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1414429"	295.063538	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1147395"	152.578801	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1697676"	312.090085	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1636250"	317.04548	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1581740"	333.01942	"C00031"	"D-Glucose;Grape sugar;Dextrose;Glucose;D-Glucopyranose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"805547"	616.1773	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M"	0
"984552"	597.15891	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-H2O-H"	-19.01839
"74981"	409.777590666667	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M-3H"	-3.021828
"513450"	615.170024	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M-3H"	-3.021828
"889066"	204.385157333333	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-3H"	-3.021828
"8731"	615.170024	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M-2H"	-2.014552
"447199"	923.258674	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M-2H"	-2.014552
"822818"	307.081374	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-2H"	-2.014552
"84996"	1231.347324	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M-H"	-1.007276
"525649"	1847.524624	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M-H"	-1.007276
"902357"	615.170024	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-H"	-1.007276
"53450"	1248.373871	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M-2H+NH4"	16.019271
"494108"	1864.551171	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M-2H+NH4"	16.019271
"873003"	632.196571	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-2H+NH4"	16.019271
"39810"	1253.329266	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M-2H+Na"	20.974666
"482651"	1869.506566	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M-2H+Na"	20.974666
"854985"	637.151966	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-2H+Na"	20.974666
"1631080"	637.151966	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Na-2H"	20.974666
"96673"	633.158363	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M-H+Cl"	33.962126
"539878"	941.247013	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M-H+Cl"	33.962126
"930473"	325.069713	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-H+Cl"	33.962126
"270856"	1267.324002	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+Cl"	34.969402
"662912"	1883.501302	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+Cl"	34.969402
"1274585"	651.146702	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Cl"	34.969402
"22253"	1269.303206	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M-2H+K"	36.948606
"457805"	1885.480506	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M-2H+K"	36.948606
"841806"	653.125906	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-2H+K"	36.948606
"1566388"	653.125906	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+K-2H"	36.948606
"953179"	661.175494	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-H+HCOOH"	44.998194
"369207"	1277.352801	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+HCOOH-H"	44.998201
"357463"	1291.368451	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+Hac-H"	59.013851
"1498641"	675.191151	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Hac-H"	59.013851
"969464"	683.157451	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-H+NaCOOH"	66.980151
"117276"	651.146702	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+2Cl"	69.938804
"560118"	959.235352	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+2Cl"	69.938804
"1027825"	343.058052	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2Cl"	69.938804
"1250684"	695.096185	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Br"	78.918885
"1316412"	697.152172	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Cl+HCOOH"	80.974872
"1325160"	719.134129	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Cl+NaCOOH"	102.956829
"919499"	729.162886	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M-H+CF3COOH"	112.985586
"1294019"	765.139564	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Cl+CF3COOH"	148.962264
"1375460"	581.164624	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H-2H2O"	-35.012676
"1396235"	599.1746	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H-H2O"	-17.0027
"290458"	1233.361876	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+H"	1.007276
"682881"	1849.539176	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+H"	1.007276
"1359230"	617.184576	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H"	1.007276
"133212"	617.184576	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+2H"	2.014552
"576054"	925.273226	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+2H"	2.014552
"1045946"	309.095926	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2H"	2.014552
"211660"	411.792142666667	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+3H"	3.021828
"649032"	617.184576	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+3H"	3.021828
"1168247"	206.399709333333	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+3H"	3.021828
"428242"	1250.388423	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+NH4"	18.033823
"793614"	1866.565723	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+NH4"	18.033823
"1687760"	634.211123	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+NH4"	18.033823
"337131"	625.6978495	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+H+NH4"	19.041099
"729551"	933.7864995	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+H+NH4"	19.041099
"1487746"	317.6091995	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H+NH4"	19.041099
"399867"	1255.343818	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+Na"	22.989218
"760867"	1871.521118	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+Na"	22.989218
"1606779"	639.166518	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Na"	22.989218
"317905"	628.175547	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+H+Na"	23.996494
"710692"	936.264197	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+H+Na"	23.996494
"1464145"	320.086897	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H+Na"	23.996494
"1056665"	213.727023333333	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2H+Na"	25.00377
"1258704"	649.210786	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+CH3OH+H"	33.033486
"383106"	1271.317758	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+K"	38.963158
"741191"	1887.495058	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+K"	38.963158
"1543981"	655.140458	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+K"	38.963158
"308815"	636.162517	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+H+K"	39.970434
"702332"	944.251167	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+H+K"	39.970434
"1451776"	328.073867	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H+K"	39.970434
"248033"	1274.388426	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+ACN+H"	42.033826
"1217463"	658.211126	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+ACN+H"	42.033826
"1199157"	329.609201	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+ACN+2H"	43.041102
"194220"	1277.32576	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+2Na-H"	44.97116
"635969"	1893.50306	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+2Na-H"	44.97116
"1146281"	661.14846	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2Na-H"	44.97116
"187751"	639.166518	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+2Na"	45.978436
"626704"	947.255168	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+2Na"	45.978436
"1126930"	331.077868	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2Na"	45.978436
"1412639"	221.054337333333	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H+2Na"	46.985712
"1437100"	663.190046	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H+HCOOH"	47.012746
"228981"	644.19954	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+3H2O+2H"	56.04448
"1521418"	677.24209	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+IsoProp+H"	61.06479
"417824"	647.153488	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+Na+K"	61.952376
"779912"	955.242138	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+Na+K"	61.952376
"1666766"	339.064838	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Na+K"	61.952376
"260584"	1296.370368	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+ACN+Na"	64.015768
"1232198"	680.193068	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+ACN+Na"	64.015768
"1719994"	680.216593	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+NH4+HCOOH"	64.039293
"1185346"	228.381651333333	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+3Na"	68.967654
"1654148"	685.171988	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Na+HCOOH"	68.994688
"162103"	1309.27364	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+2K-H"	76.91904
"600572"	1925.45094	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+2K-H"	76.91904
"1091644"	693.09634	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2K-H"	76.91904
"146274"	655.140458	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"2M+2K"	77.926316
"589116"	963.229108	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"3M+2K"	77.926316
"1070225"	347.051808	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2K"	77.926316
"1106837"	695.110892	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2K+H"	78.933592
"1336782"	695.198507	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+DMSO+H"	79.021207
"1008472"	699.237676	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2ACN+H"	83.060376
"1533160"	700.231308	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+IsoProp+Na+H"	84.054008
"991954"	350.122476	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+2ACN+2H"	84.067652
"1587426"	701.145928	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+K+HCOOH"	84.968628
"1417585"	731.177438	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+H+CF3COOH"	115.000138
"1147873"	370.635751	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+3ACN+2H"	125.094202
"1697788"	748.203985	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+NH4+CF3COOH"	132.026685
"1638547"	753.15938	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+Na+CF3COOH"	136.98208
"1581850"	769.13332	"C00032"	"Heme;Haem;Protoheme;Heme B;Protoheme IX"	"C34H32FeN4O4"	"616.1773"	"M+K+CF3COOH"	152.95602
"808937"	60.0211	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M"	0
"983569"	41.00271	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-H2O-H"	-19.01839
"70718"	39.0067906666667	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M-3H"	-3.021828
"512466"	59.013824	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M-3H"	-3.021828
"885894"	18.9997573333333	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-3H"	-3.021828
"6654"	59.013824	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M-2H"	-2.014552
"445122"	89.024374	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M-2H"	-2.014552
"824020"	29.003274	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-2H"	-2.014552
"87292"	119.034924	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M-H"	-1.007276
"527945"	179.056024	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M-H"	-1.007276
"905749"	59.013824	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-H"	-1.007276
"54653"	136.061471	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M-2H+NH4"	16.019271
"492029"	196.082571	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M-2H+NH4"	16.019271
"870926"	76.040371	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-2H+NH4"	16.019271
"42107"	141.016866	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M-2H+Na"	20.974666
"482761"	201.037966	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M-2H+Na"	20.974666
"857282"	80.995766	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-2H+Na"	20.974666
"1630097"	80.995766	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Na-2H"	20.974666
"101159"	77.002163	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M-H+Cl"	33.962126
"539622"	107.012713	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M-H+Cl"	33.962126
"932045"	46.991613	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-H+Cl"	33.962126
"271695"	155.011602	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+Cl"	34.969402
"663023"	215.032702	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+Cl"	34.969402
"1275423"	94.990502	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Cl"	34.969402
"22363"	156.990806	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M-2H+K"	36.948606
"457551"	217.011906	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M-2H+K"	36.948606
"836446"	96.969706	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-2H+K"	36.948606
"1559936"	96.969706	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+K-2H"	36.948606
"956568"	105.019294	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-H+HCOOH"	44.998194
"369317"	165.040401	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+HCOOH-H"	44.998201
"357573"	179.056051	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+Hac-H"	59.013851
"1498751"	119.034951	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Hac-H"	59.013851
"969574"	127.001251	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-H+NaCOOH"	66.980151
"120666"	94.990502	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+2Cl"	69.938804
"562414"	125.001052	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+2Cl"	69.938804
"1030121"	64.979952	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2Cl"	69.938804
"1252980"	138.939985	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Br"	78.918885
"1316522"	140.995972	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Cl+HCOOH"	80.974872
"1326363"	162.977929	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Cl+NaCOOH"	102.956829
"919609"	173.006686	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M-H+CF3COOH"	112.985586
"1298503"	208.983364	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Cl+CF3COOH"	148.962264
"1374476"	25.008424	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H-2H2O"	-35.012676
"1393065"	43.0184	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H-H2O"	-17.0027
"287288"	121.049476	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+H"	1.007276
"686271"	181.070576	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+H"	1.007276
"1359340"	61.028376	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H"	1.007276
"133322"	61.028376	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+2H"	2.014552
"575071"	91.038926	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+2H"	2.014552
"1042776"	31.017826	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2H"	2.014552
"209583"	41.0213426666667	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+3H"	3.021828
"649142"	61.028376	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+3H"	3.021828
"1166172"	21.0143093333333	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+3H"	3.021828
"430539"	138.076023	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+NH4"	18.033823
"793724"	198.097123	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+NH4"	18.033823
"1688963"	78.054923	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+NH4"	18.033823
"337241"	69.5416495	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+H+NH4"	19.041099
"730754"	99.5521995	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+H+NH4"	19.041099
"1487856"	39.5310995	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H+NH4"	19.041099
"402164"	143.031418	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+Na"	22.989218
"759884"	203.052518	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+Na"	22.989218
"1606889"	83.010318	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Na"	22.989218
"319108"	72.019347	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+H+Na"	23.996494
"709346"	102.029897	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+H+Na"	23.996494
"1464620"	42.008797	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H+Na"	23.996494
"1056045"	28.3416233333333	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2H+Na"	25.00377
"1258815"	93.054586	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+CH3OH+H"	33.033486
"378842"	159.005358	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+K"	38.963158
"743487"	219.026458	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+K"	38.963158
"1542998"	98.984258	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+K"	38.963158
"308925"	80.006317	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+H+K"	39.970434
"704628"	110.016867	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+H+K"	39.970434
"1451886"	49.995767	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H+K"	39.970434
"248143"	162.076026	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+ACN+H"	42.033826
"1221946"	102.054926	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+ACN+H"	42.033826
"1198903"	51.531101	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+ACN+2H"	43.041102
"196517"	165.01336	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+2Na-H"	44.97116
"639359"	225.03446	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+2Na-H"	44.97116
"1143960"	104.99226	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2Na-H"	44.97116
"188107"	83.010318	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+2Na"	45.978436
"626449"	113.020868	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+2Na"	45.978436
"1129225"	52.999768	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2Na"	45.978436
"1411655"	35.6689373333333	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H+2Na"	46.985712
"1440490"	107.033846	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H+HCOOH"	47.012746
"225810"	88.04334	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+3H2O+2H"	56.04448
"1517153"	121.08589	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+IsoProp+H"	61.06479
"416839"	90.997288	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+Na+K"	61.952376
"778927"	121.007838	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+Na+K"	61.952376
"1671981"	60.986738	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Na+K"	61.952376
"255217"	184.057968	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+ACN+Na"	64.015768
"1234494"	124.036868	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+ACN+Na"	64.015768
"1720104"	124.060393	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+NH4+HCOOH"	64.039293
"1187643"	42.9962513333333	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+3Na"	68.967654
"1655352"	129.015788	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Na+HCOOH"	68.994688
"164401"	196.96124	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+2K-H"	76.91904
"608336"	256.98234	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+2K-H"	76.91904
"1095035"	136.94014	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2K-H"	76.91904
"150758"	98.984258	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"2M+2K"	77.926316
"589226"	128.994808	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"3M+2K"	77.926316
"1074833"	68.973708	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2K"	77.926316
"1106948"	138.954692	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2K+H"	78.933592
"1341146"	139.042307	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+DMSO+H"	79.021207
"1008582"	143.081476	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2ACN+H"	83.060376
"1528895"	144.075108	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+IsoProp+Na+H"	84.054008
"997531"	72.044376	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+2ACN+2H"	84.067652
"1588145"	144.989728	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+K+HCOOH"	84.968628
"1415630"	175.021238	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+H+CF3COOH"	115.000138
"1147539"	92.557651	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+3ACN+2H"	125.094202
"1697656"	192.047785	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+NH4+CF3COOH"	132.026685
"1638657"	197.00318	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+Na+CF3COOH"	136.98208
"1581960"	212.97712	"C00033"	"Acetate;Acetic acid;Ethanoic acid"	"C2H4O2"	"60.0211"	"M+K+CF3COOH"	152.95602
"802487"	54.9381	"C00034"	"Manganese"	"Mn"	"54.9381"	"M"	0
"983679"	35.91971	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-H2O-H"	-19.01839
"70828"	35.618124	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M-3H"	-3.021828
"513670"	53.930824	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M-3H"	-3.021828
"884911"	17.305424	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-3H"	-3.021828
"3484"	53.930824	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M-2H"	-2.014552
"442680"	81.399874	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M-2H"	-2.014552
"821943"	26.461774	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-2H"	-2.014552
"86308"	108.868924	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M-H"	-1.007276
"526962"	163.807024	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M-H"	-1.007276
"908046"	53.930824	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-H"	-1.007276
"54765"	125.895471	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M-2H+NH4"	16.019271
"492868"	180.833571	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M-2H+NH4"	16.019271
"867754"	70.957371	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-2H+NH4"	16.019271
"41124"	130.850866	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M-2H+Na"	20.974666
"480684"	185.788966	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M-2H+Na"	20.974666
"857392"	75.912766	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-2H+Na"	20.974666
"1628020"	75.912766	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Na-2H"	20.974666
"97989"	71.919163	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M-H+Cl"	33.962126
"536452"	99.388213	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M-H+Cl"	33.962126
"929967"	44.450113	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-H+Cl"	33.962126
"270349"	144.845602	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+Cl"	34.969402
"662404"	199.783702	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+Cl"	34.969402
"1273714"	89.907502	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Cl"	34.969402
"21379"	146.824806	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M-2H+K"	36.948606
"460941"	201.762906	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M-2H+K"	36.948606
"833761"	91.886706	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-2H+K"	36.948606
"1556273"	91.886706	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+K-2H"	36.948606
"946838"	99.936294	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-H+HCOOH"	44.998194
"363959"	154.874401	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+HCOOH-H"	44.998201
"351123"	168.890051	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+Hac-H"	59.013851
"1498861"	113.951951	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Hac-H"	59.013851
"967497"	121.918251	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-H+NaCOOH"	66.980151
"119683"	89.907502	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+2Cl"	69.938804
"561431"	117.376552	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+2Cl"	69.938804
"1029137"	62.438452	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2Cl"	69.938804
"1253090"	133.856985	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Br"	78.918885
"1315538"	135.912972	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Cl+HCOOH"	80.974872
"1326473"	157.894929	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Cl+NaCOOH"	102.956829
"915345"	167.923686	"C00034"	"Manganese"	"Mn"	"54.9381"	"M-H+CF3COOH"	112.985586
"1294239"	203.900364	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Cl+CF3COOH"	148.962264
"1371306"	19.925424	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H-2H2O"	-35.012676
"1386615"	37.9354	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H-H2O"	-17.0027
"285211"	110.883476	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+H"	1.007276
"683101"	165.821576	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+H"	1.007276
"1359451"	55.945376	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H"	1.007276
"132339"	55.945376	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+2H"	2.014552
"575181"	83.414426	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+2H"	2.014552
"1042886"	28.476326	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2H"	2.014552
"209693"	37.632676	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+3H"	3.021828
"649253"	55.945376	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+3H"	3.021828
"1168469"	19.319976	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+3H"	3.021828
"431742"	127.910023	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+NH4"	18.033823
"794928"	182.848123	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+NH4"	18.033823
"1689073"	72.971923	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+NH4"	18.033823
"337351"	64.4586495	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+H+NH4"	19.041099
"729771"	91.9276995	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+H+NH4"	19.041099
"1487966"	36.9895995	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H+NH4"	19.041099
"402273"	132.865418	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+Na"	22.989218
"759991"	187.803518	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+Na"	22.989218
"1605904"	77.927318	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Na"	22.989218
"320311"	66.936347	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+H+Na"	23.996494
"709819"	94.405397	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+H+Na"	23.996494
"1465824"	39.467297	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H+Na"	23.996494
"1057248"	26.64729	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2H+Na"	25.00377
"1259653"	87.971586	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+CH3OH+H"	33.033486
"378952"	148.839358	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+K"	38.963158
"741411"	203.777458	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+K"	38.963158
"1542015"	93.901258	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+K"	38.963158
"309035"	74.923317	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+H+K"	39.970434
"703645"	102.392367	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+H+K"	39.970434
"1450903"	47.454267	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H+K"	39.970434
"248253"	151.910026	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+ACN+H"	42.033826
"1220963"	96.971926	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+ACN+H"	42.033826
"1200106"	48.989601	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+ACN+2H"	43.041102
"195534"	154.84736	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+2Na-H"	44.97116
"637283"	209.78546	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+2Na-H"	44.97116
"1142977"	99.90926	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2Na-H"	44.97116
"186998"	77.927318	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+2Na"	45.978436
"624737"	105.396368	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+2Na"	45.978436
"1124961"	50.458268	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2Na"	45.978436
"1408485"	33.974604	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H+2Na"	46.985712
"1440600"	101.950846	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H+HCOOH"	47.012746
"224827"	82.96034	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+3H2O+2H"	56.04448
"1517263"	116.00289	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+IsoProp+H"	61.06479
"414763"	85.914288	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+Na+K"	61.952376
"777944"	113.383338	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+Na+K"	61.952376
"1671361"	58.445238	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Na+K"	61.952376
"258607"	173.891968	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+ACN+Na"	64.015768
"1231322"	118.953868	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+ACN+Na"	64.015768
"1718020"	118.977393	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+NH4+HCOOH"	64.039293
"1184473"	41.301918	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+3Na"	68.967654
"1655462"	123.932788	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Na+HCOOH"	68.994688
"160136"	186.79524	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+2K-H"	76.91904
"606259"	241.73334	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+2K-H"	76.91904
"1089677"	131.85714	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2K-H"	76.91904
"149775"	93.901258	"C00034"	"Manganese"	"Mn"	"54.9381"	"2M+2K"	77.926316
"588243"	121.370308	"C00034"	"Manganese"	"Mn"	"54.9381"	"3M+2K"	77.926316
"1077130"	66.432208	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2K"	77.926316
"1108151"	133.871692	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2K+H"	78.933592
"1341256"	133.959307	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+DMSO+H"	79.021207
"1008692"	137.998476	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2ACN+H"	83.060376
"1524248"	138.992108	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+IsoProp+Na+H"	84.054008
"995454"	69.502876	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+2ACN+2H"	84.067652
"1587121"	139.906728	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+K+HCOOH"	84.968628
"1415252"	169.938238	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+H+CF3COOH"	115.000138
"1147852"	90.016151	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+3ACN+2H"	125.094202
"1698131"	186.964785	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+NH4+CF3COOH"	132.026685
"1638767"	191.92018	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+Na+CF3COOH"	136.98208
"1578790"	207.89412	"C00034"	"Manganese"	"Mn"	"54.9381"	"M+K+CF3COOH"	152.95602
"804783"	443.0243	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M"	0
"988531"	424.00591	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-H2O-H"	-19.01839
"77499"	294.342257333333	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M-3H"	-3.021828
"511595"	442.017024	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M-3H"	-3.021828
"886116"	146.667490666667	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-3H"	-3.021828
"9063"	442.017024	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M-2H"	-2.014552
"447530"	663.529174	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M-2H"	-2.014552
"825334"	220.504874	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-2H"	-2.014552
"91886"	885.041324	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M-H"	-1.007276
"528166"	1328.065624	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M-H"	-1.007276
"908155"	442.017024	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-H"	-1.007276
"54875"	902.067871	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M-2H+NH4"	16.019271
"495530"	1345.092171	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M-2H+NH4"	16.019271
"873333"	459.043571	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-2H+NH4"	16.019271
"44514"	907.023266	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M-2H+Na"	20.974666
"484076"	1350.047566	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M-2H+Na"	20.974666
"861874"	463.998966	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-2H+Na"	20.974666
"1627037"	463.998966	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Na-2H"	20.974666
"101379"	460.005363	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M-H+Cl"	33.962126
"539845"	681.517513	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M-H+Cl"	33.962126
"928984"	238.493213	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-H+Cl"	33.962126
"270093"	921.018002	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+Cl"	34.969402
"662880"	1364.042302	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+Cl"	34.969402
"1274309"	477.993702	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Cl"	34.969402
"21488"	922.997206	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M-2H+K"	36.948606
"459956"	1366.021506	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M-2H+K"	36.948606
"834478"	479.972906	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-2H+K"	36.948606
"1557967"	479.972906	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+K-2H"	36.948606
"946946"	488.022494	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-H+HCOOH"	44.998194
"367349"	931.046801	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+HCOOH-H"	44.998201
"351234"	945.062451	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+Hac-H"	59.013851
"1497879"	502.038151	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Hac-H"	59.013851
"966515"	510.004451	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-H+NaCOOH"	66.980151
"118699"	477.993702	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+2Cl"	69.938804
"558261"	699.505852	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+2Cl"	69.938804
"1029247"	256.481552	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2Cl"	69.938804
"1253200"	521.943185	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Br"	78.918885
"1311273"	523.999172	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Cl+HCOOH"	80.974872
"1326583"	545.981129	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Cl+NaCOOH"	102.956829
"912539"	556.009886	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M-H+CF3COOH"	112.985586
"1297629"	591.986564	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Cl+CF3COOH"	148.962264
"1367448"	408.011624	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H-2H2O"	-35.012676
"1383447"	426.0216	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H-H2O"	-17.0027
"288603"	887.055876	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+H"	1.007276
"679931"	1330.080176	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+H"	1.007276
"1360654"	444.031576	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H"	1.007276
"135730"	444.031576	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+2H"	2.014552
"576384"	665.543726	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+2H"	2.014552
"1044089"	222.519426	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2H"	2.014552
"215270"	296.356809333333	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+3H"	3.021828
"648271"	444.031576	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+3H"	3.021828
"1169676"	148.682042666667	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+3H"	3.021828
"434041"	904.082423	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+NH4"	18.033823
"797224"	1347.106723	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+NH4"	18.033823
"1690277"	461.058123	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+NH4"	18.033823
"336368"	452.5448495	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+H+NH4"	19.041099
"728788"	674.0569995	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+H+NH4"	19.041099
"1483703"	231.0326995	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H+NH4"	19.041099
"398008"	909.037818	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+Na"	22.989218
"756090"	1352.062118	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+Na"	22.989218
"1604916"	466.013518	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Na"	22.989218
"316408"	455.022547	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+H+Na"	23.996494
"708832"	676.534697	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+H+Na"	23.996494
"1462286"	233.510397	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H+Na"	23.996494
"1054075"	156.009356666667	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2H+Na"	25.00377
"1259397"	476.057786	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+CH3OH+H"	33.033486
"378696"	925.011758	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+K"	38.963158
"738804"	1368.036058	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+K"	38.963158
"1543218"	481.987458	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+K"	38.963158
"305865"	463.009517	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+H+K"	39.970434
"702662"	684.521667	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+H+K"	39.970434
"1448826"	241.497367	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H+K"	39.970434
"246906"	928.082426	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+ACN+H"	42.033826
"1218889"	485.058126	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+ACN+H"	42.033826
"1199491"	243.032701	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+ACN+2H"	43.041102
"195645"	931.01976	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+2Na-H"	44.97116
"638487"	1374.04406	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+2Na-H"	44.97116
"1144181"	487.99546	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2Na-H"	44.97116
"185285"	466.013518	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+2Na"	45.978436
"623752"	687.525668	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+2Na"	45.978436
"1127257"	244.501368	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2Na"	45.978436
"1408594"	163.336670666667	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H+2Na"	46.985712
"1440710"	490.037046	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H+HCOOH"	47.012746
"222750"	471.04654	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+3H2O+2H"	56.04448
"1511905"	504.08909	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+IsoProp+H"	61.06479
"413414"	474.000488	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+Na+K"	61.952376
"776962"	695.512638	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+Na+K"	61.952376
"1670377"	252.488338	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Na+K"	61.952376
"255074"	950.064368	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+ACN+Na"	64.015768
"1226322"	507.040068	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+ACN+Na"	64.015768
"1713263"	507.063593	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+NH4+HCOOH"	64.039293
"1185676"	170.663984666667	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+3Na"	68.967654
"1655572"	512.018988	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Na+HCOOH"	68.994688
"167537"	962.96764	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+2K-H"	76.91904
"607462"	1405.99194	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+2K-H"	76.91904
"1090880"	519.94334	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2K-H"	76.91904
"149885"	481.987458	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"2M+2K"	77.926316
"592727"	703.499608	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"3M+2K"	77.926316
"1077240"	260.475308	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2K"	77.926316
"1109355"	521.957892	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2K+H"	78.933592
"1344647"	522.045507	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+DMSO+H"	79.021207
"1015363"	526.084676	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2ACN+H"	83.060376
"1526926"	527.078308	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+IsoProp+Na+H"	84.054008
"995563"	263.545976	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+2ACN+2H"	84.067652
"1588246"	527.992928	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+K+HCOOH"	84.968628
"1415729"	558.024438	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+H+CF3COOH"	115.000138
"1148078"	284.059251	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+3ACN+2H"	125.094202
"1699946"	575.050985	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+NH4+CF3COOH"	132.026685
"1641064"	580.00638	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+Na+CF3COOH"	136.98208
"1575620"	595.98032	"C00035"	"GDP;Guanosine 5-diphosphate;Guanosine diphosphate"	"C10H15N5O11P2"	"443.0243"	"M+K+CF3COOH"	152.95602
"812548"	132.0059	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M"	0
"988272"	112.98751	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-H2O-H"	-19.01839
"71048"	86.9966573333333	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M-3H"	-3.021828
"512798"	130.998624	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M-3H"	-3.021828
"887319"	42.9946906666667	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-3H"	-3.021828
"5894"	130.998624	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M-2H"	-2.014552
"444362"	197.001574	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M-2H"	-2.014552
"826537"	64.995674	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-2H"	-2.014552
"90903"	263.004524	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M-H"	-1.007276
"528276"	395.010424	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M-H"	-1.007276
"906077"	130.998624	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-H"	-1.007276
"59358"	280.031071	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M-2H+NH4"	16.019271
"493453"	412.036971	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M-2H+NH4"	16.019271
"870526"	148.025171	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-2H+NH4"	16.019271
"36603"	284.986466	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M-2H+Na"	20.974666
"484184"	416.992366	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M-2H+Na"	20.974666
"854694"	152.980566	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-2H+Na"	20.974666
"1624960"	152.980566	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Na-2H"	20.974666
"101488"	148.986963	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M-H+Cl"	33.962126
"539955"	214.989913	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M-H+Cl"	33.962126
"930918"	82.984013	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-H+Cl"	33.962126
"271298"	298.981202	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+Cl"	34.969402
"662626"	430.987102	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+Cl"	34.969402
"1274419"	166.975302	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Cl"	34.969402
"24878"	300.960406	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M-2H+K"	36.948606
"458974"	432.966306	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M-2H+K"	36.948606
"835683"	168.954506	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-2H+K"	36.948606
"1555637"	168.954506	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+K-2H"	36.948606
"948149"	177.004094	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-H+HCOOH"	44.998194
"363208"	309.010001	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+HCOOH-H"	44.998201
"349156"	323.025651	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+Hac-H"	59.013851
"1496895"	191.019751	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Hac-H"	59.013851
"968811"	198.986051	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-H+NaCOOH"	66.980151
"117716"	166.975302	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+2Cl"	69.938804
"557277"	232.978252	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+2Cl"	69.938804
"1027169"	100.972352	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2Cl"	69.938804
"1247842"	210.924785	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Br"	78.918885
"1311383"	212.980772	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Cl+HCOOH"	80.974872
"1324506"	234.962729	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Cl+NaCOOH"	102.956829
"913378"	244.991486	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M-H+CF3COOH"	112.985586
"1288627"	280.968164	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Cl+CF3COOH"	148.962264
"1367104"	96.993224	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H-2H2O"	-35.012676
"1392306"	115.0032	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H-H2O"	-17.0027
"288713"	265.019076	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+H"	1.007276
"685509"	397.024976	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+H"	1.007276
"1360764"	133.013176	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H"	1.007276
"136933"	133.013176	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+2H"	2.014552
"569203"	199.016126	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+2H"	2.014552
"1043105"	67.010226	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2H"	2.014552
"213193"	89.0112093333333	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+3H"	3.021828
"649475"	133.013176	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+3H"	3.021828
"1168692"	45.0092426666667	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+3H"	3.021828
"430871"	282.045623	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+NH4"	18.033823
"791866"	414.051523	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+NH4"	18.033823
"1690387"	150.039723	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+NH4"	18.033823
"333198"	141.5264495	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+H+NH4"	19.041099
"726713"	207.5293995	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+H+NH4"	19.041099
"1481627"	75.5234995	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H+NH4"	19.041099
"398121"	287.001018	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+Na"	22.989218
"756199"	419.006918	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+Na"	22.989218
"1603569"	154.995118	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Na"	22.989218
"314939"	144.004147	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+H+Na"	23.996494
"707843"	210.007097	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+H+Na"	23.996494
"1461909"	78.001197	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H+Na"	23.996494
"1054667"	52.3365566666667	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2H+Na"	25.00377
"1258413"	165.039386	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+CH3OH+H"	33.033486
"377269"	302.974958	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+K"	38.963158
"738954"	434.980858	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+K"	38.963158
"1540158"	170.969058	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+K"	38.963158
"300498"	151.991117	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+H+K"	39.970434
"693289"	217.994067	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+H+K"	39.970434
"1446866"	85.988167	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H+K"	39.970434
"243005"	306.045626	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+ACN+H"	42.033826
"1216809"	174.039726	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+ACN+H"	42.033826
"1199601"	87.523501	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+ACN+2H"	43.041102
"195755"	308.98296	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+2Na-H"	44.97116
"638597"	440.98886	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+2Na-H"	44.97116
"1139918"	176.97706	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2Na-H"	44.97116
"185032"	154.995118	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+2Na"	45.978436
"623861"	220.998068	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+2Na"	45.978436
"1124087"	88.992168	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2Na"	45.978436
"1407610"	59.6638706666667	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H+2Na"	46.985712
"1441913"	179.018646	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H+HCOOH"	47.012746
"222860"	160.02814	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+3H2O+2H"	56.04448
"1509219"	193.07069	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+IsoProp+H"	61.06479
"413160"	162.982088	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+Na+K"	61.952376
"781445"	228.985038	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+Na+K"	61.952376
"1671580"	96.979138	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Na+K"	61.952376
"255185"	328.027568	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+ACN+Na"	64.015768
"1226432"	196.021668	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+ACN+Na"	64.015768
"1715323"	196.045193	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+NH4+HCOOH"	64.039293
"1181043"	66.9911846666667	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+3Na"	68.967654
"1656776"	201.000588	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Na+HCOOH"	68.994688
"163638"	340.93084	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+2K-H"	76.91904
"605386"	472.93674	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+2K-H"	76.91904
"1089897"	208.92494	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2K-H"	76.91904
"148902"	170.969058	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"2M+2K"	77.926316
"592837"	236.972008	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"3M+2K"	77.926316
"1077351"	104.966108	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2K"	77.926316
"1109465"	210.939492	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2K+H"	78.933592
"1341477"	211.027107	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+DMSO+H"	79.021207
"1010006"	215.066276	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2ACN+H"	83.060376
"1527036"	216.059908	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+IsoProp+Na+H"	84.054008
"997860"	108.036776	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+2ACN+2H"	84.067652
"1589084"	216.974528	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+K+HCOOH"	84.968628
"1416203"	247.006038	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+H+CF3COOH"	115.000138
"1148312"	128.550051	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+3ACN+2H"	125.094202
"1698961"	264.032585	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+NH4+CF3COOH"	132.026685
"1644454"	268.98798	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+Na+CF3COOH"	136.98208
"1575730"	284.96192	"C00036"	"Oxaloacetate;Oxalacetic acid;Oxaloacetic acid;2-Oxobutanedioic acid;2-Oxosuccinic acid;keto-Oxaloacetate"	"C4H4O5"	"132.0059"	"M+K+CF3COOH"	152.95602
"815575"	75.032	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M"	0
"986196"	56.01361	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-H2O-H"	-19.01839
"73345"	49.0140573333333	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M-3H"	-3.021828
"517159"	74.024724	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M-3H"	-3.021828
"892896"	24.0033906666667	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-3H"	-3.021828
"9284"	74.024724	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M-2H"	-2.014552
"447753"	111.540724	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M-2H"	-2.014552
"828833"	36.508724	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-2H"	-2.014552
"89920"	149.056724	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M-H"	-1.007276
"531303"	224.088724	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M-H"	-1.007276
"907282"	74.024724	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-H"	-1.007276
"60441"	166.083271	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M-2H+NH4"	16.019271
"496843"	241.115271	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M-2H+NH4"	16.019271
"877683"	91.051271	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-2H+NH4"	16.019271
"42547"	171.038666	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M-2H+Na"	20.974666
"485265"	246.070666	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M-2H+Na"	20.974666
"857722"	96.006666	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-2H+Na"	20.974666
"1628350"	96.006666	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Na-2H"	20.974666
"104878"	92.013063	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M-H+Cl"	33.962126
"541157"	129.529063	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M-H+Cl"	33.962126
"934676"	54.497063	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-H+Cl"	33.962126
"270312"	185.033402	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+Cl"	34.969402
"662007"	260.065402	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+Cl"	34.969402
"1274164"	110.001402	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Cl"	34.969402
"24989"	187.012606	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M-2H+K"	36.948606
"460178"	262.044606	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M-2H+K"	36.948606
"839074"	111.980606	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-2H+K"	36.948606
"1561469"	111.980606	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+K-2H"	36.948606
"952633"	120.030194	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-H+HCOOH"	44.998194
"367571"	195.062201	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+HCOOH-H"	44.998201
"352547"	209.077851	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+Hac-H"	59.013851
"1501377"	134.045851	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Hac-H"	59.013851
"970015"	142.012151	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-H+NaCOOH"	66.980151
"120012"	110.001402	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+2Cl"	69.938804
"558481"	147.517402	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+2Cl"	69.938804
"1032747"	72.485402	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2Cl"	69.938804
"1251232"	153.950885	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Br"	78.918885
"1314775"	156.006872	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Cl+HCOOH"	80.974872
"1327897"	177.988829	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Cl+NaCOOH"	102.956829
"916768"	188.017586	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M-H+CF3COOH"	112.985586
"1290560"	223.994264	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Cl+CF3COOH"	148.962264
"1367743"	40.019324	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H-2H2O"	-35.012676
"1390229"	58.0293	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H-H2O"	-17.0027
"289916"	151.071276	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+H"	1.007276
"685619"	226.103276	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+H"	1.007276
"1360874"	76.039276	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H"	1.007276
"137043"	76.039276	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+2H"	2.014552
"576604"	113.555276	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+2H"	2.014552
"1045402"	38.523276	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2H"	2.014552
"215490"	51.0286093333333	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+3H"	3.021828
"652865"	76.039276	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+3H"	3.021828
"1167707"	26.0179426666667	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+3H"	3.021828
"430981"	168.097823	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+NH4"	18.033823
"796350"	243.129823	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+NH4"	18.033823
"1690497"	93.065823	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+NH4"	18.033823
"334765"	84.5525495	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+H+NH4"	19.041099
"726823"	122.0685495	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+H+NH4"	19.041099
"1480643"	47.0365495	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H+NH4"	19.041099
"396044"	173.053218	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+Na"	22.989218
"757401"	248.085218	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+Na"	22.989218
"1604043"	98.021218	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Na"	22.989218
"315902"	87.030247	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+H+Na"	23.996494
"709050"	124.546247	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+H+Na"	23.996494
"1463598"	49.514247	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H+Na"	23.996494
"1055384"	33.3452566666667	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2H+Na"	25.00377
"1259616"	108.065486	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+CH3OH+H"	33.033486
"377586"	189.027158	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+K"	38.963158
"738864"	264.059158	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+K"	38.963158
"1540145"	113.995158	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+K"	38.963158
"300608"	95.017217	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+H+K"	39.970434
"692306"	132.533217	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+H+K"	39.970434
"1446003"	57.501217	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H+K"	39.970434
"239835"	192.097826	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+ACN+H"	42.033826
"1216919"	117.065826	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+ACN+H"	42.033826
"1197522"	59.036551	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+ACN+2H"	43.041102
"191121"	195.03516	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+2Na-H"	44.97116
"633235"	270.06716	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+2Na-H"	44.97116
"1136743"	120.00316	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2Na-H"	44.97116
"175660"	98.021218	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+2Na"	45.978436
"622877"	135.537218	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+2Na"	45.978436
"1125290"	60.505218	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2Na"	45.978436
"1404438"	40.6725706666667	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H+2Na"	46.985712
"1437649"	122.044746	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H+HCOOH"	47.012746
"222238"	103.05424	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+3H2O+2H"	56.04448
"1509571"	136.09679	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+IsoProp+H"	61.06479
"422747"	106.008188	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+Na+K"	61.952376
"782650"	143.524188	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+Na+K"	61.952376
"1669867"	68.492188	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Na+K"	61.952376
"255295"	214.079768	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+ACN+Na"	64.015768
"1226543"	139.047768	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+ACN+Na"	64.015768
"1714340"	139.071293	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+NH4+HCOOH"	64.039293
"1179689"	47.9998846666667	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+3Na"	68.967654
"1652144"	144.026688	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Na+HCOOH"	68.994688
"167028"	226.98304	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+2K-H"	76.91904
"606588"	302.01504	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+2K-H"	76.91904
"1084781"	151.95104	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2K-H"	76.91904
"150105"	113.995158	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"2M+2K"	77.926316
"589666"	151.511158	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"3M+2K"	77.926316
"1070898"	76.479158	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2K"	77.926316
"1105200"	153.965592	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2K+H"	78.933592
"1338305"	154.053207	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+DMSO+H"	79.021207
"1010115"	158.092376	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2ACN+H"	83.060376
"1531522"	159.086008	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+IsoProp+Na+H"	84.054008
"997970"	79.549826	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+2ACN+2H"	84.067652
"1590287"	160.000628	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+K+HCOOH"	84.968628
"1417043"	190.032138	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+H+CF3COOH"	115.000138
"1148787"	100.063101	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+3ACN+2H"	125.094202
"1699071"	207.058685	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+NH4+CF3COOH"	132.026685
"1641284"	212.01408	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+Na+CF3COOH"	136.98208
"1573653"	227.98802	"C00037"	"Glycine;Aminoacetic acid;Gly"	"C2H5NO2"	"75.032"	"M+K+CF3COOH"	152.95602
"806207"	63.9291	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M"	0
"985212"	44.91071	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-H2O-H"	-19.01839
"69081"	41.612124	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M-3H"	-3.021828
"513018"	62.921824	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M-3H"	-3.021828
"890821"	20.302424	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-3H"	-3.021828
"7208"	62.921824	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M-2H"	-2.014552
"445676"	94.886374	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M-2H"	-2.014552
"827850"	30.957274	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-2H"	-2.014552
"87842"	126.850924	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M-H"	-1.007276
"526309"	190.780024	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M-H"	-1.007276
"904110"	62.921824	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-H"	-1.007276
"59577"	143.877471	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M-2H+NH4"	16.019271
"498044"	207.806571	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M-2H+NH4"	16.019271
"870377"	79.948371	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-2H+NH4"	16.019271
"36092"	148.832866	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M-2H+Na"	20.974666
"474924"	212.761966	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M-2H+Na"	20.974666
"854549"	84.903766	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-2H+Na"	20.974666
"1622625"	84.903766	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Na-2H"	20.974666
"99884"	80.910163	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M-H+Cl"	33.962126
"537984"	112.874713	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M-H+Cl"	33.962126
"932597"	48.945613	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-H+Cl"	33.962126
"268963"	162.827602	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+Cl"	34.969402
"663210"	226.756702	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+Cl"	34.969402
"1273303"	98.898502	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Cl"	34.969402
"28379"	164.806806	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M-2H+K"	36.948606
"465754"	228.735906	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M-2H+K"	36.948606
"840277"	100.877706	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-2H+K"	36.948606
"1560485"	100.877706	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+K-2H"	36.948606
"954929"	108.927294	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-H+HCOOH"	44.998194
"369867"	172.856401	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+HCOOH-H"	44.998201
"354842"	186.872051	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+Hac-H"	59.013851
"1503673"	122.942951	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Hac-H"	59.013851
"966845"	130.909251	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-H+NaCOOH"	66.980151
"122308"	98.898502	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+2Cl"	69.938804
"559682"	130.863052	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+2Cl"	69.938804
"1030670"	66.933952	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2Cl"	69.938804
"1250247"	142.847985	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Br"	78.918885
"1309416"	144.903972	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Cl+HCOOH"	80.974872
"1320347"	166.885929	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Cl+NaCOOH"	102.956829
"914326"	176.914686	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M-H+CF3COOH"	112.985586
"1289085"	212.891364	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Cl+CF3COOH"	148.962264
"1367732"	28.916424	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H-2H2O"	-35.012676
"1385964"	46.9264	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H-H2O"	-17.0027
"287109"	128.865476	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+H"	1.007276
"680625"	192.794576	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+H"	1.007276
"1358797"	64.936376	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H"	1.007276
"137153"	64.936376	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+2H"	2.014552
"574528"	96.900926	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+2H"	2.014552
"1048793"	32.971826	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2H"	2.014552
"211227"	43.626676	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+3H"	3.021828
"652975"	64.936376	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+3H"	3.021828
"1167820"	22.316976	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+3H"	3.021828
"432185"	145.892023	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+NH4"	18.033823
"792087"	209.821123	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+NH4"	18.033823
"1687325"	81.962923	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+NH4"	18.033823
"334872"	73.4496495	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+H+NH4"	19.041099
"725108"	105.4141995	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+H+NH4"	19.041099
"1481115"	41.4850995	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H+NH4"	19.041099
"396154"	150.847418	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+Na"	22.989218
"756416"	214.776518	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+Na"	22.989218
"1604395"	86.918318	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Na"	22.989218
"316737"	75.927347	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+H+Na"	23.996494
"709889"	107.891897	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+H+Na"	23.996494
"1462979"	43.962797	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H+Na"	23.996494
"1055132"	29.64429	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2H+Na"	25.00377
"1260091"	96.962586	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+CH3OH+H"	33.033486
"378664"	166.821358	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+K"	38.963158
"740391"	230.750458	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+K"	38.963158
"1541714"	102.892258	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+K"	38.963158
"299017"	83.914317	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+H+K"	39.970434
"694601"	115.878867	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+H+K"	39.970434
"1446114"	51.949767	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H+K"	39.970434
"239945"	169.892026	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+ACN+H"	42.033826
"1213019"	105.962926	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+ACN+H"	42.033826
"1198360"	53.485101	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+ACN+2H"	43.041102
"191959"	172.82936	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+2Na-H"	44.97116
"633344"	236.75846	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+2Na-H"	44.97116
"1136850"	108.90026	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2Na-H"	44.97116
"174670"	86.918318	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+2Na"	45.978436
"623350"	118.882868	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+2Na"	45.978436
"1121024"	54.953768	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2Na"	45.978436
"1405642"	36.971604	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H+2Na"	46.985712
"1433017"	110.941846	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H+HCOOH"	47.012746
"225631"	91.95134	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+3H2O+2H"	56.04448
"1510408"	124.99389	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+IsoProp+H"	61.06479
"414110"	94.905288	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+Na+K"	61.952376
"784947"	126.869838	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+Na+K"	61.952376
"1670342"	62.940738	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Na+K"	61.952376
"255039"	191.873968	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+ACN+Na"	64.015768
"1227748"	127.944868	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+ACN+Na"	64.015768
"1714450"	127.968393	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+NH4+HCOOH"	64.039293
"1183818"	44.298918	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+3Na"	68.967654
"1652617"	132.923788	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Na+HCOOH"	68.994688
"168231"	204.77724	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+2K-H"	76.91904
"606698"	268.70634	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+2K-H"	76.91904
"1086836"	140.84814	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2K-H"	76.91904
"149122"	102.892258	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"2M+2K"	77.926316
"589776"	134.856808	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"3M+2K"	77.926316
"1072101"	70.927708	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2K"	77.926316
"1105310"	142.862692	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2K+H"	78.933592
"1340600"	142.950307	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+DMSO+H"	79.021207
"1008402"	146.989476	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2ACN+H"	83.060376
"1527256"	147.983108	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+IsoProp+Na+H"	84.054008
"995894"	73.998376	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+2ACN+2H"	84.067652
"1591491"	148.897728	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+K+HCOOH"	84.968628
"1417153"	178.929238	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+H+CF3COOH"	115.000138
"1149261"	94.511651	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+3ACN+2H"	125.094202
"1699181"	195.955785	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+NH4+CF3COOH"	132.026685
"1642487"	200.91118	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+Na+CF3COOH"	136.98208
"1573763"	216.88512	"C00038"	"Zinc cation;Zn2;Zn(II);Zinc ion"	"Zn"	"63.9291"	"M+K+CF3COOH"	152.95602
"801411"	89.0477	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M"	0
"984228"	70.02931	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"69191"	58.3578573333333	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"514219"	88.040424	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"892025"	28.6752906666667	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"12785"	88.040424	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"451250"	132.564274	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"823588"	43.516574	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"89046"	177.088124	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"525327"	266.135824	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"907500"	88.040424	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"58594"	194.114671	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"498155"	283.162371	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"870488"	105.066971	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"41670"	199.070066	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"476857"	288.117766	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"857938"	110.022366	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1622735"	110.022366	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"96711"	106.028763	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"536639"	150.552613	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"933802"	61.504913	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"273451"	213.064802	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"665874"	302.112502	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1276818"	124.017102	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"27396"	215.044006	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"465864"	304.091706	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"839293"	125.996306	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1557314"	125.996306	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"957598"	134.045894	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"372531"	223.093601	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"352769"	237.109251	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1499414"	148.061551	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"971331"	156.027851	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"120232"	124.017102	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"560889"	168.540952	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1027502"	79.493252	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1248173"	167.966585	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1306248"	170.022572	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1325929"	192.004529	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"911679"	202.033286	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1289687"	238.009964	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1367521"	54.035024	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1383071"	72.045	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"291231"	179.102676	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"677090"	268.150376	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1353438"	90.054976	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"135076"	90.054976	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"574639"	134.578826	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1047811"	45.531126	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"212433"	60.3724093333333	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"651994"	90.054976	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1166836"	30.6898426666667	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"429014"	196.129223	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"792196"	285.176923	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1686345"	107.081523	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"332435"	98.5682495	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"724128"	143.0920995	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1480865"	54.0443995	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"394077"	201.084618	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"754368"	290.132318	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1602799"	112.036918	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"315510"	101.045947	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"707573"	145.569797	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1462363"	56.522097	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1052974"	38.0171566666667	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1257402"	122.081186	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"377316"	217.058558	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"740498"	306.106258	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1540404"	128.010858	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"298656"	109.032917	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"691551"	153.556767	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1449630"	64.509067	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"240055"	220.129226	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1216047"	131.081526	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1197015"	66.044401	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
"188706"	223.06656	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+2Na-H"	44.97116
"635642"	312.11426	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+2Na-H"	44.97116
"1136960"	134.01886	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"174052"	112.036918	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"620543"	156.560768	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1126603"	67.513068	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1406846"	45.3444706666667	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1435679"	136.060446	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"222458"	117.06994	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1510158"	150.11249	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"411669"	120.023888	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"774486"	164.547738	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1666442"	75.500038	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"251990"	242.111168	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1226763"	153.063468	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1713338"	153.086993	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1179542"	52.6717846666667	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1657104"	158.042388	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"162871"	255.01444	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"605716"	344.06214	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1093508"	165.96674	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"144855"	128.010858	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"589886"	172.534708	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1075491"	83.487008	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1107606"	167.981292	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1345086"	168.068907	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1011427"	172.108076	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1529555"	173.101708	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"999284"	86.557676	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1600348"	174.016328	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1426008"	204.047838	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1153018"	107.070951	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1699291"	221.074385	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1634818"	226.02978	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1573876"	242.00372	"C00041"	"L-Alanine;L-2-Aminopropionic acid;L-alpha-Alanine"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"809710"	118.0266	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M"	0
"986525"	99.00821	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-H2O-H"	-19.01839
"75864"	77.677124	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M-3H"	-3.021828
"514330"	117.019324	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M-3H"	-3.021828
"889948"	38.334924	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-3H"	-3.021828
"13261"	117.019324	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M-2H"	-2.014552
"453429"	176.032624	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M-2H"	-2.014552
"826978"	58.006024	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-2H"	-2.014552
"88064"	235.045924	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M-H"	-1.007276
"523250"	353.072524	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M-H"	-1.007276
"909070"	117.019324	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-H"	-1.007276
"51417"	252.072471	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M-2H+NH4"	16.019271
"501184"	370.099071	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M-2H+NH4"	16.019271
"868778"	134.045871	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-2H+NH4"	16.019271
"37405"	257.027866	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M-2H+Na"	20.974666
"476965"	375.054466	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M-2H+Na"	20.974666
"851851"	139.001266	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-2H+Na"	20.974666
"1622113"	139.001266	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Na-2H"	20.974666
"98642"	135.007663	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M-H+Cl"	33.962126
"538568"	194.020963	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M-H+Cl"	33.962126
"929533"	75.994363	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-H+Cl"	33.962126
"269186"	271.022602	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+Cl"	34.969402
"671452"	389.049202	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+Cl"	34.969402
"1280574"	152.996002	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Cl"	34.969402
"27506"	273.001806	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M-2H+K"	36.948606
"468161"	391.028406	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M-2H+K"	36.948606
"841590"	154.975206	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-2H+K"	36.948606
"1556452"	154.975206	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+K-2H"	36.948606
"948588"	163.024794	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-H+HCOOH"	44.998194
"371182"	281.051401	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+HCOOH-H"	44.998201
"355066"	295.067051	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+Hac-H"	59.013851
"1499524"	177.040451	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Hac-H"	59.013851
"969618"	185.006751	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-H+NaCOOH"	66.980151
"118158"	152.996002	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+2Cl"	69.938804
"556626"	212.009302	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+2Cl"	69.938804
"1028706"	93.982702	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2Cl"	69.938804
"1247190"	196.945485	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Br"	78.918885
"1311827"	199.001472	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Cl+HCOOH"	80.974872
"1321669"	220.983429	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Cl+NaCOOH"	102.956829
"911996"	231.012186	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M-H+CF3COOH"	112.985586
"1288944"	266.988864	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Cl+CF3COOH"	148.962264
"1367589"	83.013924	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H-2H2O"	-35.012676
"1385091"	101.0239	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H-H2O"	-17.0027
"283320"	237.060476	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+H"	1.007276
"675820"	355.087076	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+H"	1.007276
"1354642"	119.033876	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H"	1.007276
"131906"	119.033876	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+2H"	2.014552
"570378"	178.047176	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+2H"	2.014552
"1042457"	60.020576	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2H"	2.014552
"212544"	79.691676	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+3H"	3.021828
"652104"	119.033876	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+3H"	3.021828
"1172416"	40.349476	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+3H"	3.021828
"434593"	254.087023	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+NH4"	18.033823
"797774"	372.113623	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+NH4"	18.033823
"1683539"	136.060423	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+NH4"	18.033823
"333640"	127.5471495	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+H+NH4"	19.041099
"726063"	186.5604495	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+H+NH4"	19.041099
"1478064"	68.5338495	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H+NH4"	19.041099
"393219"	259.042418	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+Na"	22.989218
"754697"	377.069018	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+Na"	22.989218
"1603201"	141.015818	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Na"	22.989218
"314775"	130.024847	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+H+Na"	23.996494
"708660"	189.038147	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+H+Na"	23.996494
"1462476"	71.011547	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H+Na"	23.996494
"1056454"	47.67679	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2H+Na"	25.00377
"1257275"	151.060086	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+CH3OH+H"	33.033486
"378521"	275.016358	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+K"	38.963158
"740973"	393.042958	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+K"	38.963158
"1541203"	156.989758	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+K"	38.963158
"299838"	138.011817	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+H+K"	39.970434
"691569"	197.025117	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+H+K"	39.970434
"1449376"	78.998517	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H+K"	39.970434
"240165"	278.087026	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+ACN+H"	42.033826
"1210479"	160.060426	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+ACN+H"	42.033826
"1200039"	80.533851	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+ACN+2H"	43.041102
"190356"	281.02436	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+2Na-H"	44.97116
"633564"	399.05096	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+2Na-H"	44.97116
"1133422"	162.99776	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2Na-H"	44.97116
"174526"	141.015818	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+2Na"	45.978436
"620289"	200.029118	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+2Na"	45.978436
"1124525"	82.002518	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2Na"	45.978436
"1405862"	55.004104	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H+2Na"	46.985712
"1435060"	165.039346	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H+HCOOH"	47.012746
"224026"	146.04884	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+3H2O+2H"	56.04448
"1513547"	179.09139	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+IsoProp+H"	61.06479
"411779"	149.002788	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+Na+K"	61.952376
"774231"	208.016088	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+Na+K"	61.952376
"1666911"	89.989488	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Na+K"	61.952376
"252455"	300.068968	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+ACN+Na"	64.015768
"1227230"	182.042368	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+ACN+Na"	64.015768
"1713687"	182.065893	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+NH4+HCOOH"	64.039293
"1181487"	62.331418	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+3Na"	68.967654
"1651498"	187.021288	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Na+HCOOH"	68.994688
"165170"	312.97224	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+2K-H"	76.91904
"611293"	430.99884	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+2K-H"	76.91904
"1096900"	194.94564	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2K-H"	76.91904
"150435"	156.989758	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"2M+2K"	77.926316
"586715"	216.003058	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"3M+2K"	77.926316
"1075603"	97.976458	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2K"	77.926316
"1107718"	196.960192	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2K+H"	78.933592
"1343010"	197.047807	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+DMSO+H"	79.021207
"1014820"	201.086976	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2ACN+H"	83.060376
"1532946"	202.080608	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+IsoProp+Na+H"	84.054008
"998302"	101.047126	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+2ACN+2H"	84.067652
"1602487"	202.995228	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+K+HCOOH"	84.968628
"1420653"	233.026738	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+H+CF3COOH"	115.000138
"1158597"	121.560401	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+3ACN+2H"	125.094202
"1697699"	250.053285	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+NH4+CF3COOH"	132.026685
"1634685"	255.00868	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+Na+CF3COOH"	136.98208
"1572893"	270.98262	"C00042"	"Succinate;Succinic acid;Butanedionic acid;Ethylenesuccinic acid"	"C4H6O4"	"118.0266"	"M+K+CF3COOH"	152.95602
"801582"	607.0816	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M"	0
"985541"	588.06321	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-H2O-H"	-19.01839
"74878"	403.713790666667	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M-3H"	-3.021828
"513345"	606.074324	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M-3H"	-3.021828
"887871"	201.353257333333	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-3H"	-3.021828
"13008"	606.074324	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H"	-2.014552
"450380"	909.615124	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H"	-2.014552
"825994"	302.533524	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H"	-2.014552
"82707"	1213.155924	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M-H"	-1.007276
"526641"	1820.237524	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M-H"	-1.007276
"904441"	606.074324	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-H"	-1.007276
"49339"	1230.182471	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+NH4"	16.019271
"497282"	1837.264071	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+NH4"	16.019271
"866700"	623.100871	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+NH4"	16.019271
"38610"	1235.137866	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+Na"	20.974666
"473792"	1842.219466	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+Na"	20.974666
"851961"	628.056266	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+Na"	20.974666
"1622588"	628.056266	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na-2H"	20.974666
"98754"	624.062663	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M-H+Cl"	33.962126
"537584"	927.603463	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M-H+Cl"	33.962126
"928909"	320.521863	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+Cl"	33.962126
"268926"	1249.132602	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Cl"	34.969402
"671562"	1856.214202	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Cl"	34.969402
"1279591"	642.051002	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl"	34.969402
"26523"	1251.111806	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+K"	36.948606
"467177"	1858.193406	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+K"	36.948606
"838419"	644.030206	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+K"	36.948606
"1566282"	644.030206	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+K-2H"	36.948606
"948698"	652.079794	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+HCOOH"	44.998194
"374939"	1259.161401	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+HCOOH-H"	44.998201
"354081"	1273.177051	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Hac-H"	59.013851
"1499634"	666.095451	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Hac-H"	59.013851
"969728"	674.061751	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+NaCOOH"	66.980151
"118268"	642.051002	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Cl"	69.938804
"556736"	945.591802	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Cl"	69.938804
"1027723"	338.510202	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Cl"	69.938804
"1247300"	686.000485	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Br"	78.918885
"1311937"	688.056472	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+HCOOH"	80.974872
"1322872"	710.038429	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+NaCOOH"	102.956829
"912227"	720.067186	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+CF3COOH"	112.985586
"1289905"	756.043864	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+CF3COOH"	148.962264
"1367581"	572.068924	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H-2H2O"	-35.012676
"1385201"	590.0789	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H-H2O"	-17.0027
"282980"	1215.170476	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H"	1.007276
"676051"	1822.252076	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H"	1.007276
"1354752"	608.088876	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H"	1.007276
"133109"	608.088876	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2H"	2.014552
"569394"	911.629676	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2H"	2.014552
"1040380"	304.548076	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2H"	2.014552
"210467"	405.728342666667	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+3H"	3.021828
"651121"	608.088876	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+3H"	3.021828
"1172524"	203.367809333333	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+3H"	3.021828
"429235"	1232.197023	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+NH4"	18.033823
"795696"	1839.278623	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+NH4"	18.033823
"1685471"	625.115423	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4"	18.033823
"334843"	616.6021495	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+NH4"	19.041099
"727262"	920.1429495	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+NH4"	19.041099
"1477564"	313.0613495	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+NH4"	19.041099
"393283"	1237.152418	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Na"	22.989218
"754525"	1844.234018	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Na"	22.989218
"1603151"	630.070818	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na"	22.989218
"315738"	619.079847	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+Na"	23.996494
"708284"	922.620647	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+Na"	23.996494
"1461493"	315.539047	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+Na"	23.996494
"1055470"	210.695123333333	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2H+Na"	25.00377
"1260062"	640.115086	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+CH3OH+H"	33.033486
"377618"	1253.126358	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+K"	38.963158
"739626"	1860.207958	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+K"	38.963158
"1540343"	646.044758	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+K"	38.963158
"298860"	627.066817	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+K"	39.970434
"692132"	930.607617	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+K"	39.970434
"1449850"	323.526017	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+K"	39.970434
"238452"	1256.197026	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+ACN+H"	42.033826
"1211523"	649.115426	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+H"	42.033826
"1200149"	325.061351	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+2H"	43.041102
"191194"	1259.13436	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Na-H"	44.97116
"635861"	1866.21596	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Na-H"	44.97116
"1135356"	652.05276	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Na-H"	44.97116
"175366"	630.070818	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Na"	45.978436
"616024"	933.611618	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Na"	45.978436
"1125728"	326.530018	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Na"	45.978436
"1402689"	218.022437333333	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+2Na"	46.985712
"1435170"	654.094346	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+HCOOH"	47.012746
"224133"	635.10384	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+3H2O+2H"	56.04448
"1513657"	668.14639	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+IsoProp+H"	61.06479
"418087"	638.057788	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Na+K"	61.952376
"774707"	941.598588	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Na+K"	61.952376
"1669579"	334.516988	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+K"	61.952376
"252447"	1278.178968	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+ACN+Na"	64.015768
"1226615"	671.097368	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+Na"	64.015768
"1713797"	671.120893	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4+HCOOH"	64.039293
"1181231"	225.349751333333	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+3Na"	68.967654
"1650759"	676.076288	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+HCOOH"	68.994688
"161998"	1291.08224	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2K-H"	76.91904
"602655"	1898.16384	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2K-H"	76.91904
"1097982"	684.00064	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K-H"	76.91904
"150545"	646.044758	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2K"	77.926316
"586825"	949.585558	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2K"	77.926316
"1075713"	342.503958	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K"	77.926316
"1105641"	686.015192	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K+H"	78.933592
"1342027"	686.102807	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+DMSO+H"	79.021207
"1014930"	690.141976	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2ACN+H"	83.060376
"1531963"	691.135608	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+IsoProp+Na+H"	84.054008
"996225"	345.574626	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+2ACN+2H"	84.067652
"1600570"	692.050228	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+K+HCOOH"	84.968628
"1420763"	722.081738	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+CF3COOH"	115.000138
"1158707"	366.087901	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+3ACN+2H"	125.094202
"1697688"	739.108285	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4+CF3COOH"	132.026685
"1634553"	744.06368	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+CF3COOH"	136.98208
"1573003"	760.03762	"C00043"	"UDP-N-acetyl-alpha-D-glucosamine;UDP-N-acetyl-D-glucosamine;UDP-N-acetylglucosamine"	"C17H27N3O17P2"	"607.0816"	"M+K+CF3COOH"	152.95602
"812117"	522.9907	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M"	0
"985651"	503.97231	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H2O-H"	-19.01839
"76084"	347.653190666667	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-3H"	-3.021828
"517830"	521.983424	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-3H"	-3.021828
"892355"	173.322957333333	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-3H"	-3.021828
"12389"	521.983424	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H"	-2.014552
"452677"	783.478774	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H"	-2.014552
"830476"	260.488074	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H"	-2.014552
"83909"	1044.974124	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-H"	-1.007276
"520552"	1567.964824	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-H"	-1.007276
"908924"	521.983424	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H"	-1.007276
"56738"	1062.000671	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+NH4"	16.019271
"497391"	1584.991371	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+NH4"	16.019271
"875193"	539.009971	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+NH4"	16.019271
"39813"	1066.956066	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+Na"	20.974666
"477185"	1589.946766	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+Na"	20.974666
"852435"	543.965366	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+Na"	20.974666
"1623427"	543.965366	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na-2H"	20.974666
"98864"	539.971763	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-H+Cl"	33.962126
"536601"	801.467113	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-H+Cl"	33.962126
"930110"	278.476413	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+Cl"	33.962126
"269769"	1080.950802	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Cl"	34.969402
"667296"	1603.941502	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Cl"	34.969402
"1280794"	557.960102	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl"	34.969402
"29793"	1082.930006	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+K"	36.948606
"467288"	1605.920706	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+K"	36.948606
"837436"	559.939306	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+K"	36.948606
"1563113"	559.939306	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K-2H"	36.948606
"947715"	567.988894	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+HCOOH"	44.998194
"375412"	1090.979601	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+HCOOH-H"	44.998201
"353099"	1104.995251	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Hac-H"	59.013851
"1505212"	582.004551	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Hac-H"	59.013851
"971295"	589.970851	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+NaCOOH"	66.980151
"117286"	557.960102	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Cl"	69.938804
"560128"	819.455452	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Cl"	69.938804
"1026740"	296.464752	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Cl"	69.938804
"1248504"	601.909585	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Br"	78.918885
"1312047"	603.965572	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+HCOOH"	80.974872
"1324075"	625.947529	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+NaCOOH"	102.956829
"913673"	635.976286	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+CF3COOH"	112.985586
"1290015"	671.952964	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+CF3COOH"	148.962264
"1368909"	487.978024	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H-2H2O"	-35.012676
"1385311"	505.988	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H-H2O"	-17.0027
"283176"	1046.988676	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H"	1.007276
"676811"	1569.979376	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H"	1.007276
"1354128"	523.997976	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H"	1.007276
"128845"	523.997976	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2H"	2.014552
"570962"	785.493326	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2H"	2.014552
"1043770"	262.502626	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2H"	2.014552
"213856"	349.667742666667	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+3H"	3.021828
"652323"	523.997976	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+3H"	3.021828
"1175187"	175.337509333333	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3H"	3.021828
"433719"	1064.015223	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+NH4"	18.033823
"795807"	1587.005923	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+NH4"	18.033823
"1685582"	541.024523	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4"	18.033823
"336048"	532.5112495	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+NH4"	19.041099
"728472"	794.0065995	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+NH4"	19.041099
"1478646"	271.0158995	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+NH4"	19.041099
"395139"	1068.970618	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Na"	22.989218
"756501"	1591.961318	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Na"	22.989218
"1603990"	545.979918	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na"	22.989218
"315846"	534.988947	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+Na"	23.996494
"709244"	796.484297	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+Na"	23.996494
"1464157"	273.493597	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+Na"	23.996494
"1055215"	182.664823333333	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2H+Na"	25.00377
"1262359"	556.024186	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+CH3OH+H"	33.033486
"378867"	1084.944558	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+K"	38.963158
"739372"	1607.935258	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+K"	38.963158
"1540330"	561.953858	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K"	38.963158
"298776"	542.975917	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+K"	39.970434
"692486"	804.471267	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+K"	39.970434
"1451782"	281.480567	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+K"	39.970434
"237468"	1088.015226	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+ACN+H"	42.033826
"1212240"	565.024526	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+H"	42.033826
"1200259"	283.015901	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+2H"	43.041102
"192036"	1090.95256	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Na-H"	44.97116
"635971"	1613.94326	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Na-H"	44.97116
"1135102"	567.96186	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Na-H"	44.97116
"175839"	545.979918	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Na"	45.978436
"617591"	807.475268	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Na"	45.978436
"1121097"	284.484568	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Na"	45.978436
"1403527"	189.992137333333	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+2Na"	46.985712
"1436372"	570.003446	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+HCOOH"	47.012746
"225338"	551.01294	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+3H2O+2H"	56.04448
"1510848"	584.05549	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+IsoProp+H"	61.06479
"418925"	553.966888	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Na+K"	61.952376
"777732"	815.462238	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Na+K"	61.952376
"1675156"	292.471538	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+K"	61.952376
"254746"	1109.997168	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+ACN+Na"	64.015768
"1227819"	587.006468	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+Na"	64.015768
"1713790"	587.029993	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4+HCOOH"	64.039293
"1184258"	197.319451333333	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3Na"	68.967654
"1653422"	591.985388	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+HCOOH"	68.994688
"163201"	1122.90044	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2K-H"	76.91904
"602765"	1645.89114	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2K-H"	76.91904
"1097849"	599.90974	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K-H"	76.91904
"150655"	561.953858	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2K"	77.926316
"589125"	823.449208	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2K"	77.926316
"1075824"	300.458508	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K"	77.926316
"1111220"	601.924292	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K+H"	78.933592
"1347605"	602.011907	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+DMSO+H"	79.021207
"1017958"	606.051076	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2ACN+H"	83.060376
"1534261"	607.044708	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+IsoProp+Na+H"	84.054008
"1001804"	303.529176	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2ACN+2H"	84.067652
"1601900"	607.959328	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K+HCOOH"	84.968628
"1421966"	637.990838	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+CF3COOH"	115.000138
"1161004"	324.042451	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3ACN+2H"	125.094202
"1698527"	655.017385	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4+CF3COOH"	132.026685
"1635271"	659.97278	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+CF3COOH"	136.98208
"1576394"	675.94672	"C00044"	"GTP;Guanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K+CF3COOH"	152.95602
"803481"	146.1055	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M"	0
"981388"	127.08711	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H2O-H"	-19.01839
"72911"	96.3963906666667	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-3H"	-3.021828
"515752"	145.098224	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-3H"	-3.021828
"895378"	47.6945573333333	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-3H"	-3.021828
"13956"	145.098224	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H"	-2.014552
"453880"	218.150974	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H"	-2.014552
"832743"	72.045474	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H"	-2.014552
"86206"	291.203724	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-H"	-1.007276
"533545"	437.309224	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-H"	-1.007276
"907940"	145.098224	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H"	-1.007276
"59034"	308.230271	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H+NH4"	16.019271
"497501"	454.335771	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H+NH4"	16.019271
"873115"	162.124771	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H+NH4"	16.019271
"37733"	313.185666	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H+Na"	20.974666
"479482"	459.291166	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H+Na"	20.974666
"851818"	167.080166	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H+Na"	20.974666
"1622443"	167.080166	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na-2H"	20.974666
"95695"	163.086563	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-H+Cl"	33.962126
"542913"	236.139313	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-H+Cl"	33.962126
"936430"	90.033813	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+Cl"	33.962126
"282606"	327.180402	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Cl"	34.969402
"675150"	473.285902	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+Cl"	34.969402
"1288120"	181.074902	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl"	34.969402
"28930"	329.159606	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H+K"	36.948606
"459744"	475.265106	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H+K"	36.948606
"836456"	183.054106	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H+K"	36.948606
"1563224"	183.054106	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K-2H"	36.948606
"954389"	191.103694	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+HCOOH"	44.998194
"373334"	337.209201	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+HCOOH-H"	44.998201
"355395"	351.224851	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Hac-H"	59.013851
"1505322"	205.119351	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Hac-H"	59.013851
"971769"	213.085651	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+NaCOOH"	66.980151
"121770"	181.074902	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2Cl"	69.938804
"561330"	254.127652	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2Cl"	69.938804
"1032317"	108.022152	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2Cl"	69.938804
"1254082"	225.024385	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Br"	78.918885
"1314344"	227.080372	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl+HCOOH"	80.974872
"1324185"	249.062329	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl+NaCOOH"	102.956829
"917429"	259.091086	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+CF3COOH"	112.985586
"1295231"	295.067764	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl+CF3COOH"	148.962264
"1367237"	111.092824	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H-2H2O"	-35.012676
"1391985"	129.1028	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H-H2O"	-17.0027
"287297"	293.218276	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H"	1.007276
"680812"	439.323776	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H"	1.007276
"1363725"	147.112776	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H"	1.007276
"134423"	147.112776	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2H"	2.014552
"573988"	220.165526	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2H"	2.014552
"1043150"	74.060026	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2H"	2.014552
"213968"	98.4109426666667	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+3H"	3.021828
"651340"	147.112776	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+3H"	3.021828
"1169462"	49.7091093333333	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+3H"	3.021828
"432741"	310.244823	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+NH4"	18.033823
"791550"	456.350323	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+NH4"	18.033823
"1691161"	164.139323	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+NH4"	18.033823
"339439"	155.6260495	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H+NH4"	19.041099
"729675"	228.6787995	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H+NH4"	19.041099
"1480213"	82.5732995	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+NH4"	19.041099
"393790"	315.200218	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Na"	22.989218
"756607"	461.305718	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+Na"	22.989218
"1603002"	169.094718	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na"	22.989218
"314415"	158.103747	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H+Na"	23.996494
"707650"	231.156497	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H+Na"	23.996494
"1462443"	85.050997	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+Na"	23.996494
"1054350"	57.0364233333333	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2H+Na"	25.00377
"1258218"	179.138986	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+CH3OH+H"	33.033486
"378005"	331.174158	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+K"	38.963158
"745327"	477.279658	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+K"	38.963158
"1541546"	185.068658	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K"	38.963158
"312214"	166.090717	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H+K"	39.970434
"702448"	239.143467	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H+K"	39.970434
"1451893"	93.037967	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+K"	39.970434
"247059"	334.244826	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+ACN+H"	42.033826
"1219766"	188.139326	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+ACN+H"	42.033826
"1198182"	94.573301	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+ACN+2H"	43.041102
"190322"	337.18216	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2Na-H"	44.97116
"637177"	483.28766	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2Na-H"	44.97116
"1134120"	191.07666	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2Na-H"	44.97116
"177777"	169.094718	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2Na"	45.978436
"618065"	242.147468	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2Na"	45.978436
"1118649"	96.041968	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2Na"	45.978436
"1401086"	64.3637373333333	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+2Na"	46.985712
"1433934"	193.118246	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+HCOOH"	47.012746
"229099"	174.12774	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+3H2O+2H"	56.04448
"1516068"	207.17029	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+IsoProp+H"	61.06479
"419034"	177.081688	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Na+K"	61.952376
"773103"	250.134438	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+Na+K"	61.952376
"1667609"	104.028938	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na+K"	61.952376
"254131"	356.226768	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+ACN+Na"	64.015768
"1234505"	210.121268	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+ACN+Na"	64.015768
"1720109"	210.144793	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+NH4+HCOOH"	64.039293
"1186559"	71.6910513333333	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+3Na"	68.967654
"1657545"	215.100188	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na+HCOOH"	68.994688
"166593"	369.13004	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2K-H"	76.91904
"605063"	515.23554	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2K-H"	76.91904
"1098204"	223.02454	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2K-H"	76.91904
"156766"	185.068658	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2K"	77.926316
"595795"	258.121408	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2K"	77.926316
"1074839"	112.015908	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2K"	77.926316
"1110235"	225.039092	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2K+H"	78.933592
"1342246"	225.126707	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+DMSO+H"	79.021207
"1014057"	229.165876	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2ACN+H"	83.060376
"1532183"	230.159508	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+IsoProp+Na+H"	84.054008
"1000819"	115.086576	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2ACN+2H"	84.067652
"1600426"	231.074128	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K+HCOOH"	84.968628
"1417701"	261.105638	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+CF3COOH"	115.000138
"1147993"	135.599851	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+3ACN+2H"	125.094202
"1699734"	278.132185	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+NH4+CF3COOH"	132.026685
"1644138"	283.08758	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na+CF3COOH"	136.98208
"1576507"	299.06152	"C00047"	"L-Lysine;Lysine acid;26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K+CF3COOH"	152.95602
"803591"	74.0004	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M"	0
"979311"	54.98201	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-H2O-H"	-19.01839
"74115"	48.326324	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M-3H"	-3.021828
"513675"	72.993124	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M-3H"	-3.021828
"892570"	23.659524	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-3H"	-3.021828
"11150"	72.993124	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M-2H"	-2.014552
"450710"	109.993324	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M-2H"	-2.014552
"827417"	35.992924	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-2H"	-2.014552
"91419"	146.993524	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M-H"	-1.007276
"519436"	220.993924	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M-H"	-1.007276
"905865"	72.993124	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-H"	-1.007276
"55866"	164.020071	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M-2H+NH4"	16.019271
"496517"	238.020471	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M-2H+NH4"	16.019271
"873225"	90.019671	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-2H+NH4"	16.019271
"41125"	168.975466	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M-2H+Na"	20.974666
"476310"	242.975866	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M-2H+Na"	20.974666
"858487"	94.975066	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-2H+Na"	20.974666
"1619997"	94.975066	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Na-2H"	20.974666
"96889"	90.981463	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M-H+Cl"	33.962126
"538277"	127.981663	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M-H+Cl"	33.962126
"927697"	53.981263	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-H+Cl"	33.962126
"280565"	182.970202	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+Cl"	34.969402
"669705"	256.970602	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+Cl"	34.969402
"1284294"	108.969802	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Cl"	34.969402
"25758"	184.949406	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M-2H+K"	36.948606
"463133"	258.949806	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M-2H+K"	36.948606
"839846"	110.949006	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-2H+K"	36.948606
"1565521"	110.949006	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+K-2H"	36.948606
"947935"	118.998594	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-H+HCOOH"	44.998194
"368339"	192.999001	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+HCOOH-H"	44.998201
"353318"	207.014651	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+Hac-H"	59.013851
"1501056"	133.014251	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Hac-H"	59.013851
"967505"	140.980551	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-H+NaCOOH"	66.980151
"120787"	108.969802	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+2Cl"	69.938804
"561440"	145.970002	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+2Cl"	69.938804
"1030240"	71.969602	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2Cl"	69.938804
"1252005"	152.919285	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Br"	78.918885
"1312267"	154.975272	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Cl+HCOOH"	80.974872
"1329762"	176.957229	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Cl+NaCOOH"	102.956829
"918632"	186.985986	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M-H+CF3COOH"	112.985586
"1295342"	222.962664	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Cl+CF3COOH"	148.962264
"1370224"	38.987724	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H-2H2O"	-35.012676
"1393190"	56.9977	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H-H2O"	-17.0027
"289594"	149.008076	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+H"	1.007276
"680922"	223.008476	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+H"	1.007276
"1364200"	75.007676	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H"	1.007276
"133440"	75.007676	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+2H"	2.014552
"574098"	112.007876	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+2H"	2.014552
"1042897"	38.007476	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2H"	2.014552
"210799"	50.340876	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+3H"	3.021828
"651451"	75.007676	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+3H"	3.021828
"1167389"	25.674076	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+3H"	3.021828
"430665"	166.034623	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+NH4"	18.033823
"789473"	240.035023	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+NH4"	18.033823
"1690178"	92.034223	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+NH4"	18.033823
"336269"	83.5209495	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+H+NH4"	19.041099
"727598"	120.5211495	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+H+NH4"	19.041099
"1480324"	46.5207495	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H+NH4"	19.041099
"394629"	170.990018	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+Na"	22.989218
"757812"	244.990418	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+Na"	22.989218
"1603722"	96.989618	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Na"	22.989218
"314356"	85.998647	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+H+Na"	23.996494
"707396"	122.998847	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+H+Na"	23.996494
"1461538"	48.998447	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H+Na"	23.996494
"1052891"	33.00139	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2H+Na"	25.00377
"1257114"	107.033886	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+CH3OH+H"	33.033486
"377996"	186.963958	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+K"	38.963158
"745437"	260.964358	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+K"	38.963158
"1541292"	112.963558	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+K"	38.963158
"305764"	93.985617	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+H+K"	39.970434
"701465"	130.985817	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+H+K"	39.970434
"1452003"	56.985417	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H+K"	39.970434
"239510"	190.034626	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+ACN+H"	42.033826
"1212220"	116.034226	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+ACN+H"	42.033826
"1197193"	58.520751	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+ACN+2H"	43.041102
"191158"	192.97196	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+2Na-H"	44.97116
"637287"	266.97236	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+2Na-H"	44.97116
"1133620"	118.97156	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2Na-H"	44.97116
"176063"	96.989618	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+2Na"	45.978436
"617446"	133.989818	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+2Na"	45.978436
"1119487"	59.989418	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2Na"	45.978436
"1401560"	40.328704	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H+2Na"	46.985712
"1436231"	121.013146	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H+HCOOH"	47.012746
"222645"	102.02264	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+3H2O+2H"	56.04448
"1513991"	135.06519	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+IsoProp+H"	61.06479
"414770"	104.976588	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+Na+K"	61.952376
"772852"	141.976788	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+Na+K"	61.952376
"1667719"	67.976388	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Na+K"	61.952376
"253147"	212.016568	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+ACN+Na"	64.015768
"1234615"	138.016168	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+ACN+Na"	64.015768
"1719126"	138.039693	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+NH4+HCOOH"	64.039293
"1186669"	47.656018	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+3Na"	68.967654
"1657655"	142.995088	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Na+HCOOH"	68.994688
"165610"	224.91984	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+2K-H"	76.91904
"606266"	298.92024	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+2K-H"	76.91904
"1096248"	150.91944	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2K-H"	76.91904
"156347"	112.963558	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"2M+2K"	77.926316
"595299"	149.963758	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"3M+2K"	77.926316
"1078229"	75.963358	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2K"	77.926316
"1111437"	152.933992	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2K+H"	78.933592
"1342356"	153.021607	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+DMSO+H"	79.021207
"1017447"	157.060776	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2ACN+H"	83.060376
"1534480"	158.054408	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+IsoProp+Na+H"	84.054008
"1002023"	79.034026	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+2ACN+2H"	84.067652
"1598714"	158.969028	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+K+HCOOH"	84.968628
"1419998"	189.000538	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+H+CF3COOH"	115.000138
"1147375"	99.547301	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+3ACN+2H"	125.094202
"1698749"	206.027085	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+NH4+CF3COOH"	132.026685
"1644248"	210.98248	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+Na+CF3COOH"	136.98208
"1576617"	226.95642	"C00048"	"Glyoxylate;Glyoxalate;Glyoxylic acid"	"C2H2O3"	"74.0004"	"M+K+CF3COOH"	152.95602
"803701"	133.0375	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M"	0
"980514"	114.01911	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-H2O-H"	-19.01839
"74225"	87.6843906666667	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M-3H"	-3.021828
"512693"	132.030224	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M-3H"	-3.021828
"894867"	43.3385573333333	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-3H"	-3.021828
"11260"	132.030224	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M-2H"	-2.014552
"453009"	198.548974	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M-2H"	-2.014552
"828621"	65.511474	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-2H"	-2.014552
"91896"	265.067724	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M-H"	-1.007276
"529268"	398.105224	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M-H"	-1.007276
"911205"	132.030224	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-H"	-1.007276
"60595"	282.094271	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M-2H+NH4"	16.019271
"500153"	415.131771	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M-2H+NH4"	16.019271
"877226"	149.056771	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-2H+NH4"	16.019271
"39049"	287.049666	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M-2H+Na"	20.974666
"479702"	420.087166	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M-2H+Na"	20.974666
"859692"	154.012166	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-2H+Na"	20.974666
"1623390"	154.012166	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Na-2H"	20.974666
"98824"	150.018563	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M-H+Cl"	33.962126
"539846"	216.537313	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M-H+Cl"	33.962126
"930445"	83.499813	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-H+Cl"	33.962126
"280554"	301.044402	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+Cl"	34.969402
"672002"	434.081902	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+Cl"	34.969402
"1282218"	168.006902	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Cl"	34.969402
"28055"	303.023606	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M-2H+K"	36.948606
"466524"	436.061106	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M-2H+K"	36.948606
"839956"	169.986106	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-2H+K"	36.948606
"1565631"	169.986106	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+K-2H"	36.948606
"950232"	178.035694	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-H+HCOOH"	44.998194
"373552"	311.073201	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+HCOOH-H"	44.998201
"355615"	325.088851	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+Hac-H"	59.013851
"1500073"	192.051351	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Hac-H"	59.013851
"968708"	200.017651	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-H+NaCOOH"	66.980151
"123084"	168.006902	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+2Cl"	69.938804
"563373"	234.525652	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+2Cl"	69.938804
"1032537"	101.488152	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2Cl"	69.938804
"1254667"	211.956385	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Br"	78.918885
"1312377"	214.012372	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Cl+HCOOH"	80.974872
"1329872"	235.994329	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Cl+NaCOOH"	102.956829
"919835"	246.023086	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M-H+CF3COOH"	112.985586
"1294359"	281.999764	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Cl+CF3COOH"	148.962264
"1370334"	98.024824	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H-2H2O"	-35.012676
"1393300"	116.0348	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H-H2O"	-17.0027
"289704"	267.082276	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+H"	1.007276
"681032"	400.119776	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+H"	1.007276
"1364677"	134.044776	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H"	1.007276
"134644"	134.044776	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+2H"	2.014552
"577491"	200.563526	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+2H"	2.014552
"1050180"	67.526026	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2H"	2.014552
"210909"	89.6989426666667	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+3H"	3.021828
"653747"	134.044776	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+3H"	3.021828
"1170779"	45.3531093333333	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+3H"	3.021828
"429682"	284.108823	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+NH4"	18.033823
"791771"	417.146323	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+NH4"	18.033823
"1685916"	151.071323	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+NH4"	18.033823
"332370"	142.5580495	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+H+NH4"	19.041099
"727709"	209.0767995	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+H+NH4"	19.041099
"1480433"	76.0392995	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H+NH4"	19.041099
"394012"	289.064218	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+Na"	22.989218
"761203"	422.101718	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+Na"	22.989218
"1610394"	156.026718	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Na"	22.989218
"317152"	145.035747	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+H+Na"	23.996494
"712853"	211.554497	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+H+Na"	23.996494
"1466673"	78.516997	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H+Na"	23.996494
"1056635"	52.6804233333333	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2H+Na"	25.00377
"1260501"	166.070986	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+CH3OH+H"	33.033486
"378104"	305.038158	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+K"	38.963158
"745547"	438.075658	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+K"	38.963158
"1541038"	172.000658	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+K"	38.963158
"305872"	153.022717	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+H+K"	39.970434
"698293"	219.541467	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+H+K"	39.970434
"1452112"	86.503967	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H+K"	39.970434
"238527"	308.108826	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+ACN+H"	42.033826
"1210872"	175.071326	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+ACN+H"	42.033826
"1195845"	88.039301	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+ACN+2H"	43.041102
"191632"	311.04616	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+2Na-H"	44.97116
"637398"	444.08366	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+2Na-H"	44.97116
"1137622"	178.00866	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2Na-H"	44.97116
"178728"	156.026718	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+2Na"	45.978436
"617557"	222.545468	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+2Na"	45.978436
"1121063"	89.507968	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2Na"	45.978436
"1402402"	60.0077373333333	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H+2Na"	46.985712
"1435248"	180.050246	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H+HCOOH"	47.012746
"227131"	161.05974	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+3H2O+2H"	56.04448
"1511546"	194.10229	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+IsoProp+H"	61.06479
"415973"	164.013688	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+Na+K"	61.952376
"775144"	230.532438	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+Na+K"	61.952376
"1669289"	97.494938	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Na+K"	61.952376
"253256"	330.090768	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+ACN+Na"	64.015768
"1234725"	197.053268	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+ACN+Na"	64.015768
"1719236"	197.076793	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+NH4+HCOOH"	64.039293
"1180946"	67.3350513333333	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+3Na"	68.967654
"1661045"	202.032188	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Na+HCOOH"	68.994688
"165720"	342.99404	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+2K-H"	76.91904
"603096"	476.03154	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+2K-H"	76.91904
"1093076"	209.95654	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2K-H"	76.91904
"149891"	172.000658	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"2M+2K"	77.926316
"591643"	238.519408	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"3M+2K"	77.926316
"1077247"	105.481908	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2K"	77.926316
"1107172"	211.971092	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2K+H"	78.933592
"1343560"	212.058707	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+DMSO+H"	79.021207
"1014275"	216.097876	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2ACN+H"	83.060376
"1533496"	217.091508	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+IsoProp+Na+H"	84.054008
"999945"	108.552576	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+2ACN+2H"	84.067652
"1597730"	218.006128	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+K+HCOOH"	84.968628
"1422296"	248.037638	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+H+CF3COOH"	115.000138
"1147136"	129.065851	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+3ACN+2H"	125.094202
"1697036"	265.064185	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+NH4+CF3COOH"	132.026685
"1644358"	270.01958	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+Na+CF3COOH"	136.98208
"1576727"	285.99352	"C00049"	"L-Aspartate;L-Aspartic acid;2-Aminosuccinic acid;L-Asp"	"C4H7NO4"	"133.0375"	"M+K+CF3COOH"	152.95602
"810372"	307.0838	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M"	0
"980624"	288.06541	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-H2O-H"	-19.01839
"67777"	203.715257333333	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M-3H"	-3.021828
"512804"	306.076524	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M-3H"	-3.021828
"892791"	101.353990666667	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-3H"	-3.021828
"12459"	306.076524	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M-2H"	-2.014552
"454095"	459.618424	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M-2H"	-2.014552
"830683"	152.534624	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-2H"	-2.014552
"92494"	613.160324	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M-H"	-1.007276
"532414"	920.244124	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M-H"	-1.007276
"909489"	306.076524	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-H"	-1.007276
"60825"	630.186871	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M-2H+NH4"	16.019271
"500749"	937.270671	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M-2H+NH4"	16.019271
"875633"	323.103071	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-2H+NH4"	16.019271
"45847"	635.142266	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M-2H+Na"	20.974666
"485283"	942.226066	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M-2H+Na"	20.974666
"861991"	328.058466	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-2H+Na"	20.974666
"1626054"	328.058466	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Na-2H"	20.974666
"102585"	324.064863	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M-H+Cl"	33.962126
"536676"	477.606763	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M-H+Cl"	33.962126
"931292"	170.522963	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-H+Cl"	33.962126
"274224"	649.137002	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+Cl"	34.969402
"669927"	956.220802	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+Cl"	34.969402
"1281237"	342.053202	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Cl"	34.969402
"25980"	651.116206	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M-2H+K"	36.948606
"456430"	958.200006	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M-2H+K"	36.948606
"843346"	344.032406	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-2H+K"	36.948606
"1565740"	344.032406	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+K-2H"	36.948606
"954354"	352.081994	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-H+HCOOH"	44.998194
"366372"	659.165801	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+HCOOH-H"	44.998201
"357545"	673.181451	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+Hac-H"	59.013851
"1497996"	366.097651	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Hac-H"	59.013851
"966630"	374.063951	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-H+NaCOOH"	66.980151
"118818"	342.053202	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+2Cl"	69.938804
"561661"	495.595102	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+2Cl"	69.938804
"1028273"	188.511302	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2Cl"	69.938804
"1246757"	386.002685	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Br"	78.918885
"1315764"	388.058672	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Cl+HCOOH"	80.974872
"1331074"	410.040629	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Cl+NaCOOH"	102.956829
"923225"	420.069386	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M-H+CF3COOH"	112.985586
"1295565"	456.046064	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Cl+CF3COOH"	148.962264
"1374820"	272.071124	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H-2H2O"	-35.012676
"1391223"	290.0811	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H-H2O"	-17.0027
"287628"	615.174876	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+H"	1.007276
"689532"	922.258676	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+H"	1.007276
"1365513"	308.091076	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H"	1.007276
"138772"	308.091076	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+2H"	2.014552
"579056"	461.632976	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+2H"	2.014552
"1049312"	154.549176	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2H"	2.014552
"214295"	205.729809333333	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+3H"	3.021828
"650578"	308.091076	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+3H"	3.021828
"1165428"	103.368542666667	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+3H"	3.021828
"429794"	632.201423	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+NH4"	18.033823
"789692"	939.285223	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+NH4"	18.033823
"1685292"	325.117623	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+NH4"	18.033823
"334301"	316.6043495	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+H+NH4"	19.041099
"725628"	470.1462495	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+H+NH4"	19.041099
"1488198"	163.0624495	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H+NH4"	19.041099
"397039"	637.156818	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+Na"	22.989218
"759127"	944.240618	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+Na"	22.989218
"1614879"	330.073018	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Na"	22.989218
"316533"	319.082047	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+H+Na"	23.996494
"710777"	472.623947	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+H+Na"	23.996494
"1461801"	165.540147	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H+Na"	23.996494
"1053467"	110.695856666667	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2H+Na"	25.00377
"1257333"	340.117286	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+CH3OH+H"	33.033486
"377489"	653.130758	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+K"	38.963158
"745657"	960.214558	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+K"	38.963158
"1547716"	346.046958	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+K"	38.963158
"305987"	327.069017	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+H+K"	39.970434
"699500"	480.610917	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+H+K"	39.970434
"1453319"	173.527117	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H+K"	39.970434
"245202"	656.201426	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+ACN+H"	42.033826
"1215722"	349.117626	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+ACN+H"	42.033826
"1197419"	175.062451	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+ACN+2H"	43.041102
"200134"	659.13876	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+2Na-H"	44.97116
"634226"	966.22256	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+2Na-H"	44.97116
"1133720"	352.05496	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2Na-H"	44.97116
"179930"	330.073018	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+2Na"	45.978436
"614383"	483.614918	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+2Na"	45.978436
"1128466"	176.531118	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2Na"	45.978436
"1406523"	118.023170666667	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H+2Na"	46.985712
"1434264"	354.096546	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H+HCOOH"	47.012746
"222864"	335.10604	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+3H2O+2H"	56.04448
"1509830"	368.14859	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+IsoProp+H"	61.06479
"416083"	338.059988	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+Na+K"	61.952376
"773801"	491.601888	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+Na+K"	61.952376
"1667580"	184.518088	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Na+K"	61.952376
"259939"	678.183368	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+ACN+Na"	64.015768
"1236294"	371.099568	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+ACN+Na"	64.015768
"1722628"	371.123093	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+NH4+HCOOH"	64.039293
"1193449"	125.350484666667	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+3Na"	68.967654
"1657873"	376.078488	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Na+HCOOH"	68.994688
"169111"	691.08664	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+2K-H"	76.91904
"605391"	998.17044	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+2K-H"	76.91904
"1089903"	384.00284	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2K-H"	76.91904
"153284"	346.046958	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"2M+2K"	77.926316
"596125"	499.588858	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"3M+2K"	77.926316
"1078448"	192.505058	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2K"	77.926316
"1107282"	386.017392	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2K+H"	78.933592
"1345854"	386.105007	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+DMSO+H"	79.021207
"1014385"	390.144176	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2ACN+H"	83.060376
"1531419"	391.137808	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+IsoProp+Na+H"	84.054008
"998963"	195.575726	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+2ACN+2H"	84.067652
"1592374"	392.052428	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+K+HCOOH"	84.968628
"1415485"	422.083938	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+H+CF3COOH"	115.000138
"1149421"	216.089001	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+3ACN+2H"	125.094202
"1707724"	439.110485	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+NH4+CF3COOH"	132.026685
"1642281"	444.06588	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+Na+CF3COOH"	136.98208
"1583399"	460.03982	"C00051"	"Glutathione;5-L-Glutamyl-L-cysteinylglycine;N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine;gamma-L-Glutamyl-L-cysteinyl-glycine;GSH;Reduced glutathione"	"C10H17N3O6S"	"307.0838"	"M+K+CF3COOH"	152.95602
"803922"	566.055	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M"	0
"977454"	547.03661	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-H2O-H"	-19.01839
"68980"	376.362724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M-3H"	-3.021828
"510726"	565.047724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M-3H"	-3.021828
"890714"	187.677724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-3H"	-3.021828
"13662"	565.047724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M-2H"	-2.014552
"455497"	848.075224	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M-2H"	-2.014552
"831638"	282.020224	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-2H"	-2.014552
"92971"	1131.102724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M-H"	-1.007276
"533984"	1697.157724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M-H"	-1.007276
"910939"	565.047724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-H"	-1.007276
"59475"	1148.129271	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M-2H+NH4"	16.019271
"499764"	1714.184271	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M-2H+NH4"	16.019271
"874286"	582.074271	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-2H+NH4"	16.019271
"46890"	1153.084666	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M-2H+Na"	20.974666
"485393"	1719.139666	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M-2H+Na"	20.974666
"862830"	587.029666	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-2H+Na"	20.974666
"1626164"	587.029666	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Na-2H"	20.974666
"97956"	583.036063	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M-H+Cl"	33.962126
"537882"	866.063563	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M-H+Cl"	33.962126
"931402"	300.008563	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-H+Cl"	33.962126
"277613"	1167.079402	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+Cl"	34.969402
"670035"	1733.134402	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+Cl"	34.969402
"1284262"	601.024402	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Cl"	34.969402
"27183"	1169.058606	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M-2H+K"	36.948606
"456297"	1735.113606	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M-2H+K"	36.948606
"845642"	603.003606	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-2H+K"	36.948606
"1566943"	603.003606	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+K-2H"	36.948606
"955193"	611.053194	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-H+HCOOH"	44.998194
"367575"	1177.108201	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+HCOOH-H"	44.998201
"357655"	1191.123851	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+Hac-H"	59.013851
"1502479"	625.068851	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Hac-H"	59.013851
"969655"	633.035151	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-H+NaCOOH"	66.980151
"120021"	601.024402	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+2Cl"	69.938804
"563958"	884.051902	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+2Cl"	69.938804
"1030570"	317.996902	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2Cl"	69.938804
"1250148"	644.973885	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Br"	78.918885
"1317334"	647.029872	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Cl+HCOOH"	80.974872
"1333736"	669.011829	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Cl+NaCOOH"	102.956829
"923335"	679.040586	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M-H+CF3COOH"	112.985586
"1300047"	715.017264	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Cl+CF3COOH"	148.962264
"1378209"	531.042324	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H-2H2O"	-35.012676
"1394612"	549.0523	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H-H2O"	-17.0027
"292111"	1133.117276	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+H"	1.007276
"689279"	1699.172276	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+H"	1.007276
"1365624"	567.062276	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H"	1.007276
"139246"	567.062276	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+2H"	2.014552
"578802"	850.089776	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+2H"	2.014552
"1049422"	284.034776	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2H"	2.014552
"214405"	378.377276	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+3H"	3.021828
"652875"	567.062276	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+3H"	3.021828
"1167725"	189.692276	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+3H"	3.021828
"433184"	1150.143823	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+NH4"	18.033823
"793083"	1716.198823	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+NH4"	18.033823
"1685042"	584.088823	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+NH4"	18.033823
"334047"	575.5755495	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+H+NH4"	19.041099
"735581"	858.6030495	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+H+NH4"	19.041099
"1490132"	292.5480495	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H+NH4"	19.041099
"397147"	1155.099218	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+Na"	22.989218
"764704"	1721.154218	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+Na"	22.989218
"1617867"	589.044218	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Na"	22.989218
"319560"	578.053247	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+H+Na"	23.996494
"716354"	861.080747	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+H+Na"	23.996494
"1461910"	295.025747	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H+Na"	23.996494
"1052885"	197.01959	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2H+Na"	25.00377
"1257201"	599.088486	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+CH3OH+H"	33.033486
"379303"	1171.073158	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+K"	38.963158
"749777"	1737.128158	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+K"	38.963158
"1548917"	605.018158	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+K"	38.963158
"303909"	586.040217	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+H+K"	39.970434
"700703"	869.067717	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+H+K"	39.970434
"1451242"	303.012717	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H+K"	39.970434
"242030"	1174.143826	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+ACN+H"	42.033826
"1211822"	608.088826	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+ACN+H"	42.033826
"1197891"	304.548051	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+ACN+2H"	43.041102
"200243"	1177.08116	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+2Na-H"	44.97116
"636523"	1743.13616	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+2Na-H"	44.97116
"1135655"	611.02616	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2Na-H"	44.97116
"178216"	589.044218	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+2Na"	45.978436
"616681"	872.071718	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+2Na"	45.978436
"1126389"	306.016718	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2Na"	45.978436
"1405539"	204.346904	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H+2Na"	46.985712
"1432184"	613.067746	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H+HCOOH"	47.012746
"222608"	594.07724	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+3H2O+2H"	56.04448
"1512494"	627.11979	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+IsoProp+H"	61.06479
"412913"	597.031188	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+Na+K"	61.952376
"771359"	880.058688	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+Na+K"	61.952376
"1666595"	314.003688	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Na+K"	61.952376
"260049"	1196.125768	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+ACN+Na"	64.015768
"1238955"	630.070768	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+ACN+Na"	64.015768
"1722738"	630.094293	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+NH4+HCOOH"	64.039293
"1193438"	211.674218	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+3Na"	68.967654
"1660169"	635.049688	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Na+HCOOH"	68.994688
"172015"	1209.02904	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+2K-H"	76.91904
"601126"	1775.08404	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+2K-H"	76.91904
"1090013"	642.97404	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2K-H"	76.91904
"149015"	605.018158	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"2M+2K"	77.926316
"590762"	888.045658	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"3M+2K"	77.926316
"1079650"	321.990658	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2K"	77.926316
"1106299"	644.988592	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2K+H"	78.933592
"1345964"	645.076207	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+DMSO+H"	79.021207
"1013402"	649.115376	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2ACN+H"	83.060376
"1532622"	650.109008	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+IsoProp+Na+H"	84.054008
"999072"	325.061326	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+2ACN+2H"	84.067652
"1592484"	651.023628	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+K+HCOOH"	84.968628
"1417054"	681.055138	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+H+CF3COOH"	115.000138
"1148437"	345.574601	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+3ACN+2H"	125.094202
"1710023"	698.081685	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+NH4+CF3COOH"	132.026685
"1646766"	703.03708	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+Na+CF3COOH"	136.98208
"1583509"	719.01102	"C00052"	"UDP-alpha-D-galactose;UDP-D-galactose;UDP-galactose;UDP-D-galactopyranose;UDP-alpha-D-galactopyranose"	"C15H24N2O17P2"	"566.055"	"M+K+CF3COOH"	152.95602
"804032"	506.9862	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M"	0
"977564"	487.96781	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-H2O-H"	-19.01839
"69090"	336.983524	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M-3H"	-3.021828
"513024"	505.978924	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M-3H"	-3.021828
"894104"	167.988124	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-3H"	-3.021828
"14263"	505.978924	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M-2H"	-2.014552
"454189"	759.472024	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M-2H"	-2.014552
"831627"	252.485824	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-2H"	-2.014552
"93321"	1012.965124	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M-H"	-1.007276
"533732"	1519.951324	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M-H"	-1.007276
"910804"	505.978924	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-H"	-1.007276
"61896"	1029.991671	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M-2H+NH4"	16.019271
"502759"	1536.977871	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M-2H+NH4"	16.019271
"879382"	523.005471	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-2H+NH4"	16.019271
"46513"	1034.947066	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M-2H+Na"	20.974666
"486995"	1541.933266	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M-2H+Na"	20.974666
"862210"	527.960866	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-2H+Na"	20.974666
"1627367"	527.960866	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Na-2H"	20.974666
"99525"	523.967263	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M-H+Cl"	33.962126
"540179"	777.460363	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M-H+Cl"	33.962126
"933699"	270.474163	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-H+Cl"	33.962126
"277723"	1048.941802	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+Cl"	34.969402
"670145"	1555.928002	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+Cl"	34.969402
"1285102"	541.955602	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Cl"	34.969402
"29116"	1050.921006	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M-2H+K"	36.948606
"465762"	1557.907206	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M-2H+K"	36.948606
"845752"	543.934806	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-2H+K"	36.948606
"1568147"	543.934806	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+K-2H"	36.948606
"955667"	551.984394	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-H+HCOOH"	44.998194
"368779"	1058.970601	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+HCOOH-H"	44.998201
"358129"	1072.986251	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+Hac-H"	59.013851
"1502589"	566.000051	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Hac-H"	59.013851
"971223"	573.966351	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-H+NaCOOH"	66.980151
"120132"	541.955602	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+2Cl"	69.938804
"564067"	795.448702	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+2Cl"	69.938804
"1036147"	288.462502	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2Cl"	69.938804
"1254632"	585.905085	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Br"	78.918885
"1315985"	587.961072	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Cl+HCOOH"	80.974872
"1330201"	609.943029	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Cl+NaCOOH"	102.956829
"917977"	619.971786	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M-H+CF3COOH"	112.985586
"1300158"	655.948464	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Cl+CF3COOH"	148.962264
"1379413"	471.973524	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H-2H2O"	-35.012676
"1395816"	489.9835	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H-H2O"	-17.0027
"292221"	1014.979676	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+H"	1.007276
"688657"	1521.965876	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+H"	1.007276
"1362086"	507.993476	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H"	1.007276
"137530"	507.993476	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+2H"	2.014552
"578547"	761.486576	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+2H"	2.014552
"1049532"	254.500376	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2H"	2.014552
"214515"	338.998076	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+3H"	3.021828
"655172"	507.993476	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+3H"	3.021828
"1174395"	170.002676	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+3H"	3.021828
"436574"	1032.006223	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+NH4"	18.033823
"792099"	1538.992423	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+NH4"	18.033823
"1688429"	525.020023	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+NH4"	18.033823
"335616"	516.5067495	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+H+NH4"	19.041099
"734598"	769.9998495	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+H+NH4"	19.041099
"1488418"	263.0136495	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H+NH4"	19.041099
"397622"	1036.961618	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+Na"	22.989218
"759348"	1543.947818	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+Na"	22.989218
"1615828"	529.975418	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Na"	22.989218
"326230"	518.984447	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+H+Na"	23.996494
"713183"	772.477547	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+H+Na"	23.996494
"1461896"	265.491347	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H+Na"	23.996494
"1054781"	177.32999	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2H+Na"	25.00377
"1257793"	540.019686	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+CH3OH+H"	33.033486
"378926"	1052.935558	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+K"	38.963158
"749158"	1559.921758	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+K"	38.963158
"1551214"	545.949358	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+K"	38.963158
"307299"	526.971417	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+H+K"	39.970434
"699719"	780.464517	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+H+K"	39.970434
"1452445"	273.478317	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H+K"	39.970434
"242140"	1056.006226	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+ACN+H"	42.033826
"1213024"	549.020026	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+ACN+H"	42.033826
"1198000"	275.013651	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+ACN+2H"	43.041102
"200353"	1058.94356	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+2Na-H"	44.97116
"636633"	1565.92976	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+2Na-H"	44.97116
"1135765"	551.95736	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2Na-H"	44.97116
"180149"	529.975418	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+2Na"	45.978436
"617155"	783.468518	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+2Na"	45.978436
"1124312"	276.482318	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2Na"	45.978436
"1405649"	184.657304	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H+2Na"	46.985712
"1433385"	553.998946	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H+HCOOH"	47.012746
"222717"	535.00844	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+3H2O+2H"	56.04448
"1512968"	568.05099	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+IsoProp+H"	61.06479
"410832"	537.962388	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+Na+K"	61.952376
"776208"	791.455488	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+Na+K"	61.952376
"1669260"	284.469288	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Na+K"	61.952376
"262346"	1077.988168	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+ACN+Na"	64.015768
"1239794"	571.001968	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+ACN+Na"	64.015768
"1726128"	571.025493	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+NH4+HCOOH"	64.039293
"1193751"	191.984618	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+3Na"	68.967654
"1660280"	575.980888	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Na+HCOOH"	68.994688
"172574"	1090.89144	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+2K-H"	76.91904
"605611"	1597.87764	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+2K-H"	76.91904
"1090123"	583.90524	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2K-H"	76.91904
"149125"	545.949358	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"2M+2K"	77.926316
"590872"	799.442458	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"3M+2K"	77.926316
"1075386"	292.456258	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2K"	77.926316
"1111875"	585.919792	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2K+H"	78.933592
"1347168"	586.007407	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+DMSO+H"	79.021207
"1014605"	590.046576	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2ACN+H"	83.060376
"1531639"	591.040208	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+IsoProp+Na+H"	84.054008
"1001369"	295.526926	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+2ACN+2H"	84.067652
"1591500"	591.954828	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+K+HCOOH"	84.968628
"1416071"	621.986338	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+H+CF3COOH"	115.000138
"1148548"	316.040201	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+3ACN+2H"	125.094202
"1711955"	639.012885	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+NH4+CF3COOH"	132.026685
"1648335"	643.96828	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+Na+CF3COOH"	136.98208
"1583619"	659.94222	"C00053"	"3-Phosphoadenylyl sulfate;3-Phosphoadenosine 5-phosphosulfate;3-Phospho-5-adenylyl sulfate;PAPS"	"C10H15N5O13P2S"	"506.9862"	"M+K+CF3COOH"	152.95602
"813983"	427.0294	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M"	0
"980955"	408.01101	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-H2O-H"	-19.01839
"71386"	283.678990666667	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M-3H"	-3.021828
"509853"	426.022124	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M-3H"	-3.021828
"894948"	141.335857333333	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-3H"	-3.021828
"14616"	426.022124	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H"	-2.014552
"451262"	639.536824	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H"	-2.014552
"832102"	212.507424	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H"	-2.014552
"93063"	853.051524	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H"	-1.007276
"534132"	1280.080924	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H"	-1.007276
"909697"	426.022124	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-H"	-1.007276
"62622"	870.078071	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+NH4"	16.019271
"501690"	1297.107471	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+NH4"	16.019271
"879585"	443.048671	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+NH4"	16.019271
"46836"	875.033466	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+Na"	20.974666
"483064"	1302.062866	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+Na"	20.974666
"863541"	448.004066	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+Na"	20.974666
"1623105"	448.004066	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na-2H"	20.974666
"98542"	444.010463	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H+Cl"	33.962126
"541384"	657.525163	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H+Cl"	33.962126
"934902"	230.495763	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+Cl"	33.962126
"277833"	889.028202	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Cl"	34.969402
"670255"	1316.057602	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Cl"	34.969402
"1287400"	461.998802	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl"	34.969402
"28498"	891.007406	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+K"	36.948606
"465508"	1318.036806	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+K"	36.948606
"845134"	463.978006	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+K"	36.948606
"1568258"	463.978006	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+K-2H"	36.948606
"950309"	472.027594	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+HCOOH"	44.998194
"372170"	899.057001	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+HCOOH-H"	44.998201
"356055"	913.072651	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Hac-H"	59.013851
"1505980"	486.043251	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Hac-H"	59.013851
"973522"	494.009551	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+NaCOOH"	66.980151
"125270"	461.998802	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Cl"	69.938804
"565397"	675.513502	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Cl"	69.938804
"1036257"	248.484102	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Cl"	69.938804
"1255472"	505.948285	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Br"	78.918885
"1317191"	508.004272	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+HCOOH"	80.974872
"1333231"	529.986229	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+NaCOOH"	102.956829
"923194"	540.014986	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+CF3COOH"	112.985586
"1300632"	575.991664	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+CF3COOH"	148.962264
"1378795"	392.016724	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-2H2O"	-35.012676
"1395927"	410.0267	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-H2O"	-17.0027
"295247"	855.066076	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H"	1.007276
"688768"	1282.095476	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H"	1.007276
"1364749"	428.036676	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H"	1.007276
"140559"	428.036676	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2H"	2.014552
"579755"	641.551376	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2H"	2.014552
"1051106"	214.521976	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H"	2.014552
"218273"	285.693542666667	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H"	3.021828
"650907"	428.036676	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+3H"	3.021828
"1171225"	143.350409333333	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+3H"	3.021828
"435591"	872.092623	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+NH4"	18.033823
"790023"	1299.122023	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+NH4"	18.033823
"1685260"	445.063223	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4"	18.033823
"334633"	436.5499495	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+NH4"	19.041099
"727419"	650.0646495	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+NH4"	19.041099
"1479782"	223.0352495	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+NH4"	19.041099
"395185"	877.048018	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na"	22.989218
"761647"	1304.077418	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na"	22.989218
"1604518"	450.018618	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na"	22.989218
"316499"	439.027647	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+Na"	23.996494
"708188"	652.542347	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+Na"	23.996494
"1462372"	225.512947	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+Na"	23.996494
"1052899"	150.677723333333	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H+Na"	25.00377
"1257378"	460.062886	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+CH3OH+H"	33.033486
"379158"	893.021958	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+K"	38.963158
"745988"	1320.051358	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+K"	38.963158
"1544764"	465.992558	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+K"	38.963158
"306317"	447.014617	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+K"	39.970434
"700923"	660.529317	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+K"	39.970434
"1454742"	233.499917	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+K"	39.970434
"243343"	896.092626	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+H"	42.033826
"1212040"	469.063226	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+H"	42.033826
"1195923"	235.035251	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+2H"	43.041102
"200463"	899.02996	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na-H"	44.97116
"634556"	1326.05936	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na-H"	44.97116
"1135875"	472.00056	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na-H"	44.97116
"180257"	450.018618	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na"	45.978436
"617997"	663.533318	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na"	45.978436
"1118950"	236.503918	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na"	45.978436
"1401385"	158.005037333333	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+2Na"	46.985712
"1432039"	474.042146	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+HCOOH"	47.012746
"221370"	455.05164	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H2O+2H"	56.04448
"1511621"	488.09419	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+H"	61.06479
"410942"	458.005588	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na+K"	61.952376
"774133"	671.520288	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na+K"	61.952376
"1669370"	244.490888	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+K"	61.952376
"267077"	918.074568	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+Na"	64.015768
"1241310"	491.045168	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+Na"	64.015768
"1726238"	491.068693	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+HCOOH"	64.039293
"1193982"	165.332351333333	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+3Na"	68.967654
"1663671"	496.024088	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+HCOOH"	68.994688
"172685"	930.97784	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K-H"	76.91904
"609001"	1358.00724	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K-H"	76.91904
"1093513"	503.94844	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K-H"	76.91904
"152515"	465.992558	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K"	77.926316
"589889"	679.507258	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K"	77.926316
"1082058"	252.477858	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K"	77.926316
"1114051"	505.962992	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K+H"	78.933592
"1349465"	506.050607	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+DMSO+H"	79.021207
"1015808"	510.089776	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+H"	83.060376
"1532841"	511.083408	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+Na+H"	84.054008
"999292"	255.548526	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+2H"	84.067652
"1593796"	511.998028	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+HCOOH"	84.968628
"1418365"	542.029538	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+CF3COOH"	115.000138
"1155213"	276.061801	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+3ACN+2H"	125.094202
"1709148"	559.056085	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+CF3COOH"	132.026685
"1649173"	564.01148	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+CF3COOH"	136.98208
"1583729"	579.98542	"C00054"	"Adenosine 35-bisphosphate;PAP;3-Phosphoadenylate;Phosphoadenosine phosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+CF3COOH"	152.95602
"804252"	323.0519	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M"	0
"981065"	304.03351	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-H2O-H"	-19.01839
"66029"	214.360657333333	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M-3H"	-3.021828
"506683"	322.044624	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M-3H"	-3.021828
"893598"	106.676690666667	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-3H"	-3.021828
"12901"	322.044624	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M-2H"	-2.014552
"451371"	483.570574	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M-2H"	-2.014552
"830629"	160.518674	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-2H"	-2.014552
"90257"	645.096524	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M-H"	-1.007276
"533099"	968.148424	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M-H"	-1.007276
"908712"	322.044624	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-H"	-1.007276
"59807"	662.123071	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M-2H+NH4"	16.019271
"501068"	985.174971	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M-2H+NH4"	16.019271
"879238"	339.071171	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-2H+NH4"	16.019271
"45435"	667.078466	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M-2H+Na"	20.974666
"480257"	990.130366	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M-2H+Na"	20.974666
"859152"	344.026566	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-2H+Na"	20.974666
"1618875"	344.026566	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Na-2H"	20.974666
"96465"	340.032963	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M-H+Cl"	33.962126
"536027"	501.558913	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M-H+Cl"	33.962126
"936104"	178.507013	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-H+Cl"	33.962126
"274662"	681.073202	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+Cl"	34.969402
"670365"	1004.125102	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+Cl"	34.969402
"1282769"	358.021302	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Cl"	34.969402
"27513"	683.052406	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M-2H+K"	36.948606
"463795"	1006.104306	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M-2H+K"	36.948606
"842692"	360.000506	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-2H+K"	36.948606
"1562900"	360.000506	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+K-2H"	36.948606
"948596"	368.050094	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-H+HCOOH"	44.998194
"370092"	691.102001	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+HCOOH-H"	44.998201
"352885"	705.117651	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+Hac-H"	59.013851
"1505726"	382.065751	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Hac-H"	59.013851
"973755"	390.032051	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-H+NaCOOH"	66.980151
"125556"	358.021302	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+2Cl"	69.938804
"565382"	519.547252	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+2Cl"	69.938804
"1035639"	196.495352	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2Cl"	69.938804
"1255947"	401.970785	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Br"	78.918885
"1314020"	404.026772	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Cl+HCOOH"	80.974872
"1332609"	426.008729	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Cl+NaCOOH"	102.956829
"924764"	436.037486	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M-H+CF3COOH"	112.985586
"1297096"	472.014164	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Cl+CF3COOH"	148.962264
"1379634"	288.039224	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H-2H2O"	-35.012676
"1391662"	306.0492	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H-H2O"	-17.0027
"289161"	647.111076	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+H"	1.007276
"685957"	970.162976	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+H"	1.007276
"1364131"	324.059176	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H"	1.007276
"141034"	324.059176	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+2H"	2.014552
"577677"	485.585126	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+2H"	2.014552
"1046838"	162.533226	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2H"	2.014552
"209268"	216.375209333333	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+3H"	3.021828
"651017"	324.059176	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+3H"	3.021828
"1164775"	108.691242666667	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+3H"	3.021828
"426954"	664.137623	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+NH4"	18.033823
"787942"	987.189523	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+NH4"	18.033823
"1682210"	341.085723	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+NH4"	18.033823
"331097"	332.5724495	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+H+NH4"	19.041099
"722853"	494.0983995	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+H+NH4"	19.041099
"1479164"	171.0464995	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H+NH4"	19.041099
"396389"	669.093018	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+Na"	22.989218
"760663"	992.144918	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+Na"	22.989218
"1603413"	346.041118	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Na"	22.989218
"315516"	335.050147	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+H+Na"	23.996494
"707565"	496.576097	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+H+Na"	23.996494
"1463574"	173.524197	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H+Na"	23.996494
"1053092"	116.018556666667	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2H+Na"	25.00377
"1257158"	356.085386	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+CH3OH+H"	33.033486
"377214"	685.066958	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+K"	38.963158
"745004"	1008.118858	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+K"	38.963158
"1544873"	362.015058	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+K"	38.963158
"303145"	343.037117	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+H+K"	39.970434
"696659"	504.563067	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+H+K"	39.970434
"1451572"	181.511167	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H+K"	39.970434
"243453"	688.137626	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+ACN+H"	42.033826
"1211174"	365.085726	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+ACN+H"	42.033826
"1194487"	183.046501	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+ACN+2H"	43.041102
"193282"	691.07496	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+2Na-H"	44.97116
"632843"	1014.12686	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+2Na-H"	44.97116
"1133065"	368.02306	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2Na-H"	44.97116
"177814"	346.041118	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+2Na"	45.978436
"614452"	507.567068	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+2Na"	45.978436
"1115776"	184.515168	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2Na"	45.978436
"1398943"	123.345870666667	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H+2Na"	46.985712
"1431782"	370.064646	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H+HCOOH"	47.012746
"220747"	351.07414	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+3H2O+2H"	56.04448
"1508807"	384.11669	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+IsoProp+H"	61.06479
"408658"	354.028088	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+Na+K"	61.952376
"771326"	515.554038	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+Na+K"	61.952376
"1666320"	192.502138	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Na+K"	61.952376
"265482"	710.119568	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+ACN+Na"	64.015768
"1241244"	387.067668	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+ACN+Na"	64.015768
"1725255"	387.091193	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+NH4+HCOOH"	64.039293
"1191701"	130.673184666667	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+3Na"	68.967654
"1663781"	392.046588	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Na+HCOOH"	68.994688
"172836"	723.02284	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+2K-H"	76.91904
"609111"	1046.07474	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+2K-H"	76.91904
"1090343"	399.97094	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2K-H"	76.91904
"150438"	362.015058	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"2M+2K"	77.926316
"591092"	523.541008	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"3M+2K"	77.926316
"1083020"	200.489108	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2K"	77.926316
"1114161"	401.985492	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2K+H"	78.933592
"1346295"	402.073107	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+DMSO+H"	79.021207
"1013733"	406.112276	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2ACN+H"	83.060376
"1530764"	407.105908	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+IsoProp+Na+H"	84.054008
"997216"	203.559776	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+2ACN+2H"	84.067652
"1590625"	408.020528	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+K+HCOOH"	84.968628
"1417382"	438.052038	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+H+CF3COOH"	115.000138
"1148763"	224.073051	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+3ACN+2H"	125.094202
"1708165"	455.078585	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+NH4+CF3COOH"	132.026685
"1648190"	460.03398	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+Na+CF3COOH"	136.98208
"1583839"	476.00792	"C00055"	"CMP;Cytidine-5-monophosphate;Cytidylic acid"	"C9H14N3O8P"	"323.0519"	"M+K+CF3COOH"	152.95602
"804362"	46.0055	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M"	0
"980082"	26.98711	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-H2O-H"	-19.01839
"65046"	29.6630573333333	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M-3H"	-3.021828
"504606"	44.998224	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M-3H"	-3.021828
"890061"	14.3278906666667	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-3H"	-3.021828
"11917"	44.998224	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M-2H"	-2.014552
"450387"	68.000974	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M-2H"	-2.014552
"830497"	21.995474	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-2H"	-2.014552
"87086"	91.003724	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M-H"	-1.007276
"532601"	137.009224	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M-H"	-1.007276
"908580"	44.998224	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-H"	-1.007276
"60646"	108.030271	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M-2H+NH4"	16.019271
"498382"	154.035771	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M-2H+NH4"	16.019271
"877524"	62.024771	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-2H+NH4"	16.019271
"44331"	112.985666	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M-2H+Na"	20.974666
"480367"	158.991166	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M-2H+Na"	20.974666
"857075"	66.980166	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-2H+Na"	20.974666
"1618783"	66.980166	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Na-2H"	20.974666
"98762"	62.986563	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M-H+Cl"	33.962126
"536137"	85.989313	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M-H+Cl"	33.962126
"936214"	39.983813	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-H+Cl"	33.962126
"276595"	126.980402	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+Cl"	34.969402
"670475"	172.985902	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+Cl"	34.969402
"1283973"	80.974902	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Cl"	34.969402
"28717"	128.959606	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M-2H+K"	36.948606
"466092"	174.965106	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M-2H+K"	36.948606
"842802"	82.954106	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-2H+K"	36.948606
"1565926"	82.954106	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+K-2H"	36.948606
"948706"	91.003694	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-H+HCOOH"	44.998194
"370931"	137.009201	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+HCOOH-H"	44.998201
"356273"	151.024851	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+Hac-H"	59.013851
"1507783"	105.019351	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Hac-H"	59.013851
"972284"	112.985651	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-H+NaCOOH"	66.980151
"124838"	80.974902	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+2Cl"	69.938804
"564764"	103.977652	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+2Cl"	69.938804
"1035385"	57.972152	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2Cl"	69.938804
"1256424"	124.924385	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Br"	78.918885
"1315953"	126.980372	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Cl+HCOOH"	80.974872
"1332356"	148.962329	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Cl+NaCOOH"	102.956829
"924145"	158.991086	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M-H+CF3COOH"	112.985586
"1295019"	194.967764	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Cl+CF3COOH"	148.962264
"1381082"	10.992824	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H-2H2O"	-35.012676
"1391772"	29.0028	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H-H2O"	-17.0027
"289271"	93.018276	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+H"	1.007276
"684974"	139.023776	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+H"	1.007276
"1364241"	47.012776	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H"	1.007276
"140658"	47.012776	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+2H"	2.014552
"578880"	70.015526	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+2H"	2.014552
"1046948"	24.010026	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2H"	2.014552
"214481"	31.6776093333333	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+3H"	3.021828
"648941"	47.012776	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+3H"	3.021828
"1164885"	16.3424426666667	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+3H"	3.021828
"427064"	110.044823	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+NH4"	18.033823
"788054"	156.050323	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+NH4"	18.033823
"1682927"	64.039323	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+NH4"	18.033823
"330964"	55.5260495	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+H+NH4"	19.041099
"723990"	78.5287995	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+H+NH4"	19.041099
"1478544"	32.5232995	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H+NH4"	19.041099
"399779"	115.000218	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+Na"	22.989218
"760775"	161.005718	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+Na"	22.989218
"1603641"	68.994718	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Na"	22.989218
"314349"	58.003747	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+H+Na"	23.996494
"707466"	81.006497	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+H+Na"	23.996494
"1462225"	35.000997	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H+Na"	23.996494
"1053525"	23.6697566666667	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2H+Na"	25.00377
"1257511"	79.038986	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+CH3OH+H"	33.033486
"377664"	130.974158	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+K"	38.963158
"738902"	176.979658	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+K"	38.963158
"1543156"	84.968658	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+K"	38.963158
"302155"	65.990717	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+H+K"	39.970434
"696403"	88.993467	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+H+K"	39.970434
"1450952"	42.987967	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H+K"	39.970434
"239188"	134.044826	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+ACN+H"	42.033826
"1211165"	88.039326	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+ACN+H"	42.033826
"1194798"	44.523301	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+ACN+2H"	43.041102
"193391"	136.98216	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+2Na-H"	44.97116
"633683"	182.98766	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+2Na-H"	44.97116
"1133541"	90.97666	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2Na-H"	44.97116
"177195"	68.994718	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+2Na"	45.978436
"616755"	91.997468	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+2Na"	45.978436
"1119168"	45.991968	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2Na"	45.978436
"1399649"	30.9970706666667	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H+2Na"	46.985712
"1432256"	93.018246	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H+HCOOH"	47.012746
"221948"	74.02774	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+3H2O+2H"	56.04448
"1508714"	107.07029	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+IsoProp+H"	61.06479
"409050"	76.981688	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+Na+K"	61.952376
"771537"	99.984438	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+Na+K"	61.952376
"1666300"	53.978938	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Na+K"	61.952376
"265228"	156.026768	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+ACN+Na"	64.015768
"1241291"	110.021268	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+ACN+Na"	64.015768
"1724271"	110.044793	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+NH4+HCOOH"	64.039293
"1190718"	38.3243846666667	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+3Na"	68.967654
"1663649"	115.000188	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Na+HCOOH"	68.994688
"172706"	168.93004	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+2K-H"	76.91904
"604848"	214.93554	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+2K-H"	76.91904
"1090453"	122.92454	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2K-H"	76.91904
"149455"	84.968658	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"2M+2K"	77.926316
"590109"	107.971408	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"3M+2K"	77.926316
"1081186"	61.965908	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2K"	77.926316
"1113179"	124.939092	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2K+H"	78.933592
"1346404"	125.026707	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+DMSO+H"	79.021207
"1014936"	129.065876	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2ACN+H"	83.060376
"1531968"	130.059508	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+IsoProp+Na+H"	84.054008
"998419"	65.036576	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+2ACN+2H"	84.067652
"1590735"	130.974128	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+K+HCOOH"	84.968628
"1417492"	161.005638	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+H+CF3COOH"	115.000138
"1148872"	85.549851	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+3ACN+2H"	125.094202
"1708275"	178.032185	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+NH4+CF3COOH"	132.026685
"1648300"	182.98758	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+Na+CF3COOH"	136.98208
"1583949"	198.96152	"C00058"	"Formate;Methanoic acid;Formic acid"	"CH2O2"	"46.0055"	"M+K+CF3COOH"	152.95602
"804472"	97.9674	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M"	0
"980192"	78.94901	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-H2O-H"	-19.01839
"65156"	64.304324	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M-3H"	-3.021828
"504716"	96.960124	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M-3H"	-3.021828
"890171"	31.648524	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-3H"	-3.021828
"12027"	96.960124	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M-2H"	-2.014552
"451591"	145.943824	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M-2H"	-2.014552
"831456"	47.976424	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-2H"	-2.014552
"87197"	194.927524	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M-H"	-1.007276
"532712"	292.894924	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M-H"	-1.007276
"907839"	96.960124	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-H"	-1.007276
"57840"	211.954071	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M-2H+NH4"	16.019271
"500074"	309.921471	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M-2H+NH4"	16.019271
"877755"	113.986671	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-2H+NH4"	16.019271
"40915"	216.909466	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M-2H+Na"	20.974666
"481570"	314.876866	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M-2H+Na"	20.974666
"858278"	118.942066	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-2H+Na"	20.974666
"1620516"	118.942066	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Na-2H"	20.974666
"99965"	114.948463	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M-H+Cl"	33.962126
"536247"	163.932163	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M-H+Cl"	33.962126
"930856"	65.964763	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-H+Cl"	33.962126
"272693"	230.904202	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+Cl"	34.969402
"664025"	328.871602	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+Cl"	34.969402
"1280801"	132.936802	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Cl"	34.969402
"22264"	232.883406	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M-2H+K"	36.948606
"459641"	330.850806	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M-2H+K"	36.948606
"841818"	134.916006	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-2H+K"	36.948606
"1566400"	134.916006	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+K-2H"	36.948606
"948816"	142.965594	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-H+HCOOH"	44.998194
"371405"	240.933001	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+HCOOH-H"	44.998201
"356383"	254.948651	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+Hac-H"	59.013851
"1506315"	156.981251	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Hac-H"	59.013851
"972030"	164.947551	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-H+NaCOOH"	66.980151
"122763"	132.936802	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+2Cl"	69.938804
"563417"	181.920502	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+2Cl"	69.938804
"1034036"	83.953102	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2Cl"	69.938804
"1254347"	176.886285	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Br"	78.918885
"1315334"	178.942272	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Cl+HCOOH"	80.974872
"1332465"	200.924229	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Cl+NaCOOH"	102.956829
"920608"	210.952986	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M-H+CF3COOH"	112.985586
"1301325"	246.929664	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Cl+CF3COOH"	148.962264
"1374383"	62.954724	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H-2H2O"	-35.012676
"1391882"	80.9647	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H-H2O"	-17.0027
"287192"	196.942076	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+H"	1.007276
"680709"	294.909476	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+H"	1.007276
"1360339"	98.974676	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H"	1.007276
"140160"	98.974676	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+2H"	2.014552
"579354"	147.958376	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+2H"	2.014552
"1049245"	49.990976	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2H"	2.014552
"211675"	66.318876	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+3H"	3.021828
"648321"	98.974676	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+3H"	3.021828
"1164995"	33.663076	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+3H"	3.021828
"427174"	213.968623	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+NH4"	18.033823
"790350"	311.936023	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+NH4"	18.033823
"1684495"	116.001223	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+NH4"	18.033823
"331682"	107.4879495	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+H+NH4"	19.041099
"725200"	156.4716495	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+H+NH4"	19.041099
"1479020"	58.5042495	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H+NH4"	19.041099
"400984"	218.924018	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+Na"	22.989218
"761979"	316.891418	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+Na"	22.989218
"1603509"	120.956618	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Na"	22.989218
"315733"	109.965647	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+H+Na"	23.996494
"708274"	158.949347	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+H+Na"	23.996494
"1462701"	60.981947	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H+Na"	23.996494
"1053557"	40.99039	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2H+Na"	25.00377
"1257864"	131.000886	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+CH3OH+H"	33.033486
"378022"	234.897958	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+K"	38.963158
"739499"	332.865358	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+K"	38.963158
"1542170"	136.930558	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+K"	38.963158
"298981"	117.952617	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+H+K"	39.970434
"693226"	166.936317	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+H+K"	39.970434
"1451424"	68.968917	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H+K"	39.970434
"237350"	237.968626	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+ACN+H"	42.033826
"1210421"	140.001226	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+ACN+H"	42.033826
"1195519"	70.504251	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+ACN+2H"	43.041102
"194230"	240.90596	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+2Na-H"	44.97116
"634885"	338.87336	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+2Na-H"	44.97116
"1135474"	142.93856	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2Na-H"	44.97116
"176209"	120.956618	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+2Na"	45.978436
"614312"	169.940318	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+2Na"	45.978436
"1117817"	71.972918	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2Na"	45.978436
"1400247"	48.317704	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H+2Na"	46.985712
"1432368"	144.980146	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H+HCOOH"	47.012746
"222059"	125.98964	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+3H2O+2H"	56.04448
"1510485"	159.03219	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+IsoProp+H"	61.06479
"410172"	128.943588	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+Na+K"	61.952376
"770438"	177.927288	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+Na+K"	61.952376
"1666896"	79.959888	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Na+K"	61.952376
"264610"	259.950568	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+ACN+Na"	64.015768
"1241087"	161.983168	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+ACN+Na"	64.015768
"1724746"	162.006693	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+NH4+HCOOH"	64.039293
"1190828"	55.645018	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+3Na"	68.967654
"1663880"	166.962088	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Na+HCOOH"	68.994688
"172083"	272.85384	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+2K-H"	76.91904
"604958"	370.82124	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+2K-H"	76.91904
"1091656"	174.88644	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2K-H"	76.91904
"151751"	136.930558	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"2M+2K"	77.926316
"592406"	185.914258	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"3M+2K"	77.926316
"1081297"	87.946858	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2K"	77.926316
"1114388"	176.900992	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2K+H"	78.933592
"1347607"	176.988607	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+DMSO+H"	79.021207
"1017232"	181.027776	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2ACN+H"	83.060376
"1530985"	182.021408	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+IsoProp+Na+H"	84.054008
"999623"	91.017526	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+2ACN+2H"	84.067652
"1593031"	182.936028	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+K+HCOOH"	84.968628
"1416508"	212.967538	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+H+CF3COOH"	115.000138
"1148617"	111.530801	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+3ACN+2H"	125.094202
"1708385"	229.994085	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+NH4+CF3COOH"	132.026685
"1649139"	234.94948	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+Na+CF3COOH"	136.98208
"1584059"	250.92342	"C00059"	"Sulfate;Sulfuric acid"	"H2SO4"	"97.9674"	"M+K+CF3COOH"	152.95602
"804583"	456.1046	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M"	0
"979211"	437.08621	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-H2O-H"	-19.01839
"64535"	303.062457333333	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M-3H"	-3.021828
"511385"	455.097324	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M-3H"	-3.021828
"891373"	151.027590666667	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-3H"	-3.021828
"11040"	455.097324	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M-2H"	-2.014552
"447321"	683.149624	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M-2H"	-2.014552
"828401"	227.045024	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-2H"	-2.014552
"89489"	911.201924	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M-H"	-1.007276
"530143"	1367.306524	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M-H"	-1.007276
"911035"	455.097324	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-H"	-1.007276
"54664"	928.228471	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M-2H+NH4"	16.019271
"498599"	1384.333071	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M-2H+NH4"	16.019271
"873120"	472.123871	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-2H+NH4"	16.019271
"46128"	933.183866	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M-2H+Na"	20.974666
"478397"	1389.288466	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M-2H+Na"	20.974666
"852552"	477.079266	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-2H+Na"	20.974666
"1626828"	477.079266	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Na-2H"	20.974666
"97890"	473.085663	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M-H+Cl"	33.962126
"540732"	701.137963	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M-H+Cl"	33.962126
"934247"	245.033363	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-H+Cl"	33.962126
"271713"	947.178602	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+Cl"	34.969402
"661947"	1403.283202	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+Cl"	34.969402
"1284194"	491.074002	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Cl"	34.969402
"24563"	949.157806	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M-2H+K"	36.948606
"459750"	1405.262406	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M-2H+K"	36.948606
"837552"	493.053206	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-2H+K"	36.948606
"1566510"	493.053206	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+K-2H"	36.948606
"954392"	501.102794	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-H+HCOOH"	44.998194
"375888"	957.207401	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+HCOOH-H"	44.998201
"359775"	971.223051	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+Hac-H"	59.013851
"1506422"	515.118451	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Hac-H"	59.013851
"971409"	523.084751	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-H+NaCOOH"	66.980151
"123238"	491.074002	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+2Cl"	69.938804
"562431"	719.126302	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+2Cl"	69.938804
"1034874"	263.021702	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2Cl"	69.938804
"1250806"	535.023485	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Br"	78.918885
"1314348"	537.079472	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Cl+HCOOH"	80.974872
"1327472"	559.061429	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Cl+NaCOOH"	102.956829
"919621"	569.090186	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M-H+CF3COOH"	112.985586
"1297423"	605.066864	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Cl+CF3COOH"	148.962264
"1372308"	421.091924	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H-2H2O"	-35.012676
"1390898"	439.1019	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H-H2O"	-17.0027
"291680"	913.216476	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+H"	1.007276
"683008"	1369.321076	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+H"	1.007276
"1361183"	457.111876	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H"	1.007276
"134435"	457.111876	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+2H"	2.014552
"575090"	685.164176	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+2H"	2.014552
"1040603"	229.059576	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2H"	2.014552
"211791"	305.077009333333	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+3H"	3.021828
"652446"	457.111876	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+3H"	3.021828
"1168384"	153.042142666667	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+3H"	3.021828
"427284"	930.243023	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+NH4"	18.033823
"792653"	1386.347623	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+NH4"	18.033823
"1683149"	474.138423	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+NH4"	18.033823
"335069"	465.6251495	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+H+NH4"	19.041099
"726763"	693.6774495	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+H+NH4"	19.041099
"1478151"	237.5728495	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H+NH4"	19.041099
"393187"	935.198418	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+Na"	22.989218
"758070"	1391.303018	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+Na"	22.989218
"1605077"	479.093818	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Na"	22.989218
"316207"	468.102847	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+H+Na"	23.996494
"707897"	696.155147	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+H+Na"	23.996494
"1462444"	240.050547	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H+Na"	23.996494
"1053057"	160.369456666667	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2H+Na"	25.00377
"1257162"	489.138086	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+CH3OH+H"	33.033486
"377528"	951.172358	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+K"	38.963158
"740224"	1407.276958	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+K"	38.963158
"1541916"	495.067758	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+K"	38.963158
"299456"	476.089817	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+H+K"	39.970434
"694434"	704.142117	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+H+K"	39.970434
"1447160"	248.037517	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H+K"	39.970434
"237585"	954.243026	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+ACN+H"	42.033826
"1210292"	498.138426	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+ACN+H"	42.033826
"1199648"	249.572851	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+ACN+2H"	43.041102
"194343"	957.18036	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+2Na-H"	44.97116
"633174"	1413.28496	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+2Na-H"	44.97116
"1133761"	501.07576	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2Na-H"	44.97116
"174494"	479.093818	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+2Na"	45.978436
"614060"	707.146118	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+2Na"	45.978436
"1117199"	251.041518	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2Na"	45.978436
"1399629"	167.696770666667	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H+2Na"	46.985712
"1432110"	503.117346	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H+HCOOH"	47.012746
"221440"	484.12684	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+3H2O+2H"	56.04448
"1509866"	517.16939	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+IsoProp+H"	61.06479
"410282"	487.080788	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+Na+K"	61.952376
"770673"	715.133088	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+Na+K"	61.952376
"1676014"	259.028488	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Na+K"	61.952376
"259615"	976.224968	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+ACN+Na"	64.015768
"1232687"	520.120368	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+ACN+Na"	64.015768
"1721210"	520.143893	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+NH4+HCOOH"	64.039293
"1188751"	175.024084666667	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+3Na"	68.967654
"1661924"	525.099288	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Na+HCOOH"	68.994688
"165508"	989.12824	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+2K-H"	76.91904
"605068"	1445.23284	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+2K-H"	76.91904
"1090672"	533.02364	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2K-H"	76.91904
"154049"	495.067758	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"2M+2K"	77.926316
"594705"	723.120058	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"3M+2K"	77.926316
"1080312"	267.015458	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2K"	77.926316
"1110240"	535.038192	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2K+H"	78.933592
"1346628"	535.125807	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+DMSO+H"	79.021207
"1014064"	539.164976	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2ACN+H"	83.060376
"1531098"	540.158608	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+IsoProp+Na+H"	84.054008
"997545"	270.086126	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+2ACN+2H"	84.067652
"1588043"	541.073228	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+K+HCOOH"	84.968628
"1415525"	571.104738	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+H+CF3COOH"	115.000138
"1160768"	290.599401	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+3ACN+2H"	125.094202
"1708495"	588.131285	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+NH4+CF3COOH"	132.026685
"1643051"	593.08668	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+Na+CF3COOH"	136.98208
"1584170"	609.06062	"C00061"	"FMN;Riboflavin-5-phosphate;Flavin mononucleotide"	"C17H21N4O9P"	"456.1046"	"M+K+CF3COOH"	152.95602
"804693"	174.1117	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M"	0
"979321"	155.09331	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-H2O-H"	-19.01839
"63551"	115.067190666667	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M-3H"	-3.021828
"506026"	173.104424	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M-3H"	-3.021828
"890390"	57.0299573333333	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-3H"	-3.021828
"8964"	173.104424	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M-2H"	-2.014552
"448525"	260.160274	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M-2H"	-2.014552
"825232"	86.048574	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-2H"	-2.014552
"89599"	347.216124	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M-H"	-1.007276
"530253"	521.327824	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M-H"	-1.007276
"910613"	173.104424	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-H"	-1.007276
"53680"	364.242671	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M-2H+NH4"	16.019271
"497616"	538.354371	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M-2H+NH4"	16.019271
"873230"	190.130971	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-2H+NH4"	16.019271
"46480"	369.198066	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M-2H+Na"	20.974666
"475955"	543.309766	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M-2H+Na"	20.974666
"851933"	195.086366	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-2H+Na"	20.974666
"1625845"	195.086366	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Na-2H"	20.974666
"96907"	191.092763	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M-H+Cl"	33.962126
"539749"	278.148613	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M-H+Cl"	33.962126
"933264"	104.036913	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-H+Cl"	33.962126
"269637"	383.192802	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+Cl"	34.969402
"663150"	557.304502	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+Cl"	34.969402
"1279929"	209.081102	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Cl"	34.969402
"23580"	385.172006	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M-2H+K"	36.948606
"459860"	559.283706	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M-2H+K"	36.948606
"835475"	211.060306	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-2H+K"	36.948606
"1563340"	211.060306	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+K-2H"	36.948606
"954502"	219.109894	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-H+HCOOH"	44.998194
"368343"	393.221601	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+HCOOH-H"	44.998201
"359884"	407.237251	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+Hac-H"	59.013851
"1506896"	233.125551	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Hac-H"	59.013851
"973341"	241.091851	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-H+NaCOOH"	66.980151
"123348"	209.081102	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+2Cl"	69.938804
"562906"	296.136952	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+2Cl"	69.938804
"1034256"	122.025252	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2Cl"	69.938804
"1250916"	253.030585	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Br"	78.918885
"1314458"	255.086572	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Cl+HCOOH"	80.974872
"1332684"	277.068529	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Cl+NaCOOH"	102.956829
"919731"	287.097286	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M-H+CF3COOH"	112.985586
"1297533"	323.073964	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Cl+CF3COOH"	148.962264
"1370592"	139.099024	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H-2H2O"	-35.012676
"1386267"	157.109	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H-H2O"	-17.0027
"291790"	349.230676	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+H"	1.007276
"682025"	523.342376	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+H"	1.007276
"1361293"	175.118976	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H"	1.007276
"134909"	175.118976	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+2H"	2.014552
"573010"	262.174826	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+2H"	2.014552
"1039619"	88.063126	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2H"	2.014552
"208621"	117.081742666667	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+3H"	3.021828
"652556"	175.118976	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+3H"	3.021828
"1165214"	59.0445093333333	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+3H"	3.021828
"427394"	366.257223	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+NH4"	18.033823
"792763"	540.368923	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+NH4"	18.033823
"1683260"	192.145523	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+NH4"	18.033823
"334086"	183.6322495	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+H+NH4"	19.041099
"725412"	270.6880995	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+H+NH4"	19.041099
"1478504"	96.5763995	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H+NH4"	19.041099
"393052"	371.212618	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+Na"	22.989218
"754655"	545.324318	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+Na"	22.989218
"1602751"	197.100918	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Na"	22.989218
"316317"	186.109947	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+H+Na"	23.996494
"709467"	273.165797	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+H+Na"	23.996494
"1461498"	99.054097	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H+Na"	23.996494
"1052799"	66.3718233333333	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2H+Na"	25.00377
"1257153"	207.145186	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+CH3OH+H"	33.033486
"377172"	387.186558	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+K"	38.963158
"738587"	561.298258	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+K"	38.963158
"1542390"	213.074858	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+K"	38.963158
"302118"	194.096917	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+H+K"	39.970434
"693447"	281.152767	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+H+K"	39.970434
"1446903"	107.041067	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H+K"	39.970434
"236236"	390.257226	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+ACN+H"	42.033826
"1210403"	216.145526	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+ACN+H"	42.033826
"1196841"	108.576401	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+ACN+2H"	43.041102
"189709"	393.19456	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+2Na-H"	44.97116
"631217"	567.30626	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+2Na-H"	44.97116
"1132170"	219.08286	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2Na-H"	44.97116
"174602"	197.100918	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+2Na"	45.978436
"614648"	284.156768	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+2Na"	45.978436
"1117182"	110.045068	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2Na"	45.978436
"1399128"	73.6991373333333	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H+2Na"	46.985712
"1430434"	221.124446	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H+HCOOH"	47.012746
"220168"	202.13394	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+3H2O+2H"	56.04448
"1509248"	235.17649	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+IsoProp+H"	61.06479
"409297"	205.087888	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+Na+K"	61.952376
"770302"	292.143738	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+Na+K"	61.952376
"1676122"	118.032038	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Na+K"	61.952376
"257902"	412.239168	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+ACN+Na"	64.015768
"1231704"	238.127468	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+ACN+Na"	64.015768
"1719497"	238.150993	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+NH4+HCOOH"	64.039293
"1185581"	81.0264513333333	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+3Na"	68.967654
"1660941"	243.106388	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Na+HCOOH"	68.994688
"165618"	425.14244	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+2K-H"	76.91904
"605178"	599.25414	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+2K-H"	76.91904
"1090417"	251.03074	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2K-H"	76.91904
"153066"	213.074858	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"2M+2K"	77.926316
"592628"	300.130708	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"3M+2K"	77.926316
"1079329"	126.019008	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2K"	77.926316
"1109257"	253.045292	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2K+H"	78.933592
"1345645"	253.132907	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+DMSO+H"	79.021207
"1014174"	257.172076	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2ACN+H"	83.060376
"1527928"	258.165708	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+IsoProp+Na+H"	84.054008
"994375"	129.089676	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+2ACN+2H"	84.067652
"1587341"	259.080328	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+K+HCOOH"	84.968628
"1415635"	289.111838	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+H+CF3COOH"	115.000138
"1161242"	149.602951	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+3ACN+2H"	125.094202
"1709698"	306.138385	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+NH4+CF3COOH"	132.026685
"1643161"	311.09378	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+Na+CF3COOH"	136.98208
"1584280"	327.06772	"C00062"	"L-Arginine;(S)-2-Amino-5-guanidinovaleric acid;L-Arg"	"C6H14N4O2"	"174.1117"	"M+K+CF3COOH"	152.95602
"812458"	482.9845	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M"	0
"978338"	463.96611	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-H2O-H"	-19.01839
"63421"	320.982390666667	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M-3H"	-3.021828
"508326"	481.977224	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M-3H"	-3.021828
"893783"	159.987557333333	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-3H"	-3.021828
"11263"	481.977224	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M-2H"	-2.014552
"450826"	723.469474	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M-2H"	-2.014552
"825343"	240.484974	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-2H"	-2.014552
"91533"	964.961724	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M-H"	-1.007276
"532551"	1447.946224	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M-H"	-1.007276
"907075"	481.977224	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-H"	-1.007276
"62057"	981.988271	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M-2H+NH4"	16.019271
"499915"	1464.972771	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M-2H+NH4"	16.019271
"874435"	499.003771	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-2H+NH4"	16.019271
"44526"	986.943666	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M-2H+Na"	20.974666
"475339"	1469.928166	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M-2H+Na"	20.974666
"852043"	503.959166	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-2H+Na"	20.974666
"1625954"	503.959166	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Na-2H"	20.974666
"99205"	499.965563	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M-H+Cl"	33.962126
"540954"	741.457813	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M-H+Cl"	33.962126
"931187"	258.473313	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-H+Cl"	33.962126
"273026"	1000.938402	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+Cl"	34.969402
"665446"	1483.922902	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+Cl"	34.969402
"1276757"	517.953902	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Cl"	34.969402
"24784"	1002.917606	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M-2H+K"	36.948606
"461065"	1485.902106	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M-2H+K"	36.948606
"837774"	519.933106	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-2H+K"	36.948606
"1565635"	519.933106	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+K-2H"	36.948606
"958455"	527.982694	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-H+HCOOH"	44.998194
"373922"	1010.967201	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+HCOOH-H"	44.998201
"358537"	1024.982851	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+Hac-H"	59.013851
"1502264"	541.998351	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Hac-H"	59.013851
"972726"	549.964651	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-H+NaCOOH"	66.980151
"125167"	517.953902	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+2Cl"	69.938804
"563387"	759.446152	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+2Cl"	69.938804
"1034729"	276.461652	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2Cl"	69.938804
"1254676"	561.903385	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Br"	78.918885
"1316757"	563.959372	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Cl+HCOOH"	80.974872
"1333160"	585.941329	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Cl+NaCOOH"	102.956829
"918748"	595.970086	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M-H+CF3COOH"	112.985586
"1295457"	631.946764	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Cl+CF3COOH"	148.962264
"1370339"	447.971824	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H-2H2O"	-35.012676
"1390018"	465.9818	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H-H2O"	-17.0027
"290806"	966.976276	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+H"	1.007276
"684321"	1449.960776	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+H"	1.007276
"1357391"	483.991776	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H"	1.007276
"132467"	483.991776	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+2H"	2.014552
"573121"	725.484026	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+2H"	2.014552
"1039728"	242.499526	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2H"	2.014552
"208730"	322.996942666667	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+3H"	3.021828
"652666"	483.991776	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+3H"	3.021828
"1167510"	162.002109333333	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+3H"	3.021828
"426409"	984.002823	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+NH4"	18.033823
"789593"	1466.987323	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+NH4"	18.033823
"1683371"	501.018323	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+NH4"	18.033823
"332736"	492.5050495	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+H+NH4"	19.041099
"724065"	733.9972995	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+H+NH4"	19.041099
"1477641"	251.0127995	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H+NH4"	19.041099
"394137"	988.958218	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+Na"	22.989218
"757923"	1471.942718	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+Na"	22.989218
"1604080"	505.973718	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Na"	22.989218
"315333"	494.982747	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+H+Na"	23.996494
"707422"	736.474997	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+H+Na"	23.996494
"1461687"	253.490497	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H+Na"	23.996494
"1052946"	169.329423333333	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2H+Na"	25.00377
"1257259"	516.017986	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+CH3OH+H"	33.033486
"377372"	1004.932158	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+K"	38.963158
"738894"	1487.916658	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+K"	38.963158
"1541041"	521.947658	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+K"	38.963158
"300041"	502.969717	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+H+K"	39.970434
"691570"	744.461967	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+H+K"	39.970434
"1445677"	261.477467	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H+K"	39.970434
"236348"	1008.002826	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+ACN+H"	42.033826
"1210877"	525.018326	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+ACN+H"	42.033826
"1197317"	263.012801	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+ACN+2H"	43.041102
"190549"	1010.94016	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+2Na-H"	44.97116
"630840"	1493.92466	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+2Na-H"	44.97116
"1133738"	527.95566	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2Na-H"	44.97116
"176542"	505.973718	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+2Na"	45.978436
"614644"	747.465968	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+2Na"	45.978436
"1118148"	264.481468	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2Na"	45.978436
"1399120"	176.656737333333	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H+2Na"	46.985712
"1430754"	529.997246	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H+HCOOH"	47.012746
"220687"	511.00674	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+3H2O+2H"	56.04448
"1509965"	544.04929	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+IsoProp+H"	61.06479
"409652"	513.960688	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+Na+K"	61.952376
"771861"	755.452938	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+Na+K"	61.952376
"1672222"	272.468438	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Na+K"	61.952376
"258742"	1029.984768	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+ACN+Na"	64.015768
"1231814"	547.000268	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+ACN+Na"	64.015768
"1721430"	547.023793	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+NH4+HCOOH"	64.039293
"1183504"	183.984051333333	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+3Na"	68.967654
"1656676"	551.979188	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Na+HCOOH"	68.994688
"160988"	1042.88804	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+2K-H"	76.91904
"605287"	1525.87254	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+2K-H"	76.91904
"1089801"	559.90354	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2K-H"	76.91904
"153177"	521.947658	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"2M+2K"	77.926316
"587274"	763.439908	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"3M+2K"	77.926316
"1076153"	280.455408	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2K"	77.926316
"1108273"	561.918092	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2K+H"	78.933592
"1342473"	562.005707	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+DMSO+H"	79.021207
"1012096"	566.044876	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2ACN+H"	83.060376
"1533504"	567.038508	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+IsoProp+Na+H"	84.054008
"996672"	283.526076	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+2ACN+2H"	84.067652
"1587291"	567.953128	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+K+HCOOH"	84.968628
"1415745"	597.984638	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+H+CF3COOH"	115.000138
"1160256"	304.039351	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+3ACN+2H"	125.094202
"1706528"	615.011185	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+NH4+CF3COOH"	132.026685
"1645458"	619.96658	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+Na+CF3COOH"	136.98208
"1584390"	635.94052	"C00063"	"CTP;Cytidine 5-triphosphate;Cytidine triphosphate"	"C9H16N3O14P3"	"482.9845"	"M+K+CF3COOH"	152.95602
"804913"	146.0691	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M"	0
"981729"	127.05071	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H2O-H"	-19.01839
"71065"	96.372124	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-3H"	-3.021828
"509532"	145.061824	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-3H"	-3.021828
"890611"	47.682424	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-3H"	-3.021828
"9189"	145.061824	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H"	-2.014552
"450937"	218.096374	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H"	-2.014552
"826551"	72.027274	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H"	-2.014552
"89823"	291.130924	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-H"	-1.007276
"531207"	437.200024	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-H"	-1.007276
"902814"	145.061824	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H"	-1.007276
"59738"	308.157471	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+NH4"	16.019271
"499662"	454.226571	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+NH4"	16.019271
"875640"	162.088371	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+NH4"	16.019271
"43542"	313.112866	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+Na"	20.974666
"480917"	459.181966	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+Na"	20.974666
"851062"	167.043766	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+Na"	20.974666
"1626064"	167.043766	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na-2H"	20.974666
"102595"	163.050163	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-H+Cl"	33.962126
"538878"	236.084713	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-H+Cl"	33.962126
"933489"	90.015613	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+Cl"	33.962126
"273137"	327.107602	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Cl"	34.969402
"666651"	473.176702	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Cl"	34.969402
"1279054"	181.038502	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl"	34.969402
"20519"	329.086806	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+K"	36.948606
"465548"	475.155906	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+K"	36.948606
"840069"	183.017706	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+K"	36.948606
"1563558"	183.017706	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K-2H"	36.948606
"951443"	191.067294	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+HCOOH"	44.998194
"368566"	337.136401	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+HCOOH-H"	44.998201
"359739"	351.152051	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Hac-H"	59.013851
"1506754"	205.082951	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Hac-H"	59.013851
"970650"	213.049251	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+NaCOOH"	66.980151
"123568"	181.038502	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Cl"	69.938804
"563861"	254.073052	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Cl"	69.938804
"1035205"	108.003952	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Cl"	69.938804
"1253690"	224.987985	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Br"	78.918885
"1317234"	227.043972	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+HCOOH"	80.974872
"1329989"	249.025929	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+NaCOOH"	102.956829
"923233"	259.054686	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+CF3COOH"	112.985586
"1293381"	295.031364	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+CF3COOH"	148.962264
"1370450"	111.056424	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H-2H2O"	-35.012676
"1385030"	129.0664	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H-H2O"	-17.0027
"293103"	293.145476	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H"	1.007276
"684431"	439.214576	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H"	1.007276
"1357500"	147.076376	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H"	1.007276
"135493"	147.076376	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2H"	2.014552
"574323"	220.110926	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2H"	2.014552
"1040205"	74.041826	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2H"	2.014552
"207746"	98.386676	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+3H"	3.021828
"652776"	147.076376	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+3H"	3.021828
"1167620"	49.696976	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3H"	3.021828
"427612"	310.172023	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+NH4"	18.033823
"792984"	456.241123	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+NH4"	18.033823
"1683847"	164.102923	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4"	18.033823
"331267"	155.5896495	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+NH4"	19.041099
"723692"	228.6241995	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+NH4"	19.041099
"1480556"	82.5550995	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+NH4"	19.041099
"397048"	315.127418	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Na"	22.989218
"755607"	461.196518	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Na"	22.989218
"1606502"	169.058318	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na"	22.989218
"321641"	158.067347	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+Na"	23.996494
"707618"	231.101897	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+Na"	23.996494
"1461918"	85.032797	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+Na"	23.996494
"1053351"	57.02429	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2H+Na"	25.00377
"1257295"	179.102586	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+CH3OH+H"	33.033486
"378343"	331.101358	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+K"	38.963158
"740918"	477.170458	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+K"	38.963158
"1542245"	185.032258	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K"	38.963158
"301245"	166.054317	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+K"	39.970434
"692576"	239.088867	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+K"	39.970434
"1445664"	93.019767	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+K"	39.970434
"237914"	334.172026	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+ACN+H"	42.033826
"1210259"	188.102926	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+H"	42.033826
"1195965"	94.555101	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+2H"	43.041102
"191022"	337.10936	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Na-H"	44.97116
"631314"	483.17846	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Na-H"	44.97116
"1133727"	191.04026	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Na-H"	44.97116
"173856"	169.058318	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Na"	45.978436
"614388"	242.092868	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Na"	45.978436
"1116920"	96.023768	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Na"	45.978436
"1399476"	64.351604	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+2Na"	46.985712
"1432082"	193.081846	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+HCOOH"	47.012746
"221406"	174.09134	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+3H2O+2H"	56.04448
"1510927"	207.13389	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+IsoProp+H"	61.06479
"409884"	177.045288	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Na+K"	61.952376
"771972"	250.079838	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Na+K"	61.952376
"1672334"	104.010738	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+K"	61.952376
"259947"	356.153968	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+ACN+Na"	64.015768
"1236301"	210.084868	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+Na"	64.015768
"1724458"	210.108393	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4+HCOOH"	64.039293
"1189812"	71.678918	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3Na"	68.967654
"1658972"	215.063788	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+HCOOH"	68.994688
"169846"	369.05724	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2K-H"	76.91904
"607586"	515.12634	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2K-H"	76.91904
"1097566"	222.98814	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K-H"	76.91904
"151102"	185.032258	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2K"	77.926316
"589567"	258.066808	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2K"	77.926316
"1077358"	111.997708	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K"	77.926316
"1110568"	225.002692	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K+H"	78.933592
"1348050"	225.090307	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+DMSO+H"	79.021207
"1018768"	229.129476	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2ACN+H"	83.060376
"1537988"	230.123108	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+IsoProp+Na+H"	84.054008
"996782"	115.068376	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2ACN+2H"	84.067652
"1587316"	231.037728	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K+HCOOH"	84.968628
"1415855"	261.069238	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+CF3COOH"	115.000138
"1160366"	135.581651	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3ACN+2H"	125.094202
"1711621"	278.095785	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4+CF3COOH"	132.026685
"1645568"	283.05118	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+CF3COOH"	136.98208
"1584500"	299.02512	"C00064"	"L-Glutamine;L-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K+CF3COOH"	152.95602
"805023"	105.0426	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M"	0
"979651"	86.02421	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-H2O-H"	-19.01839
"67893"	69.021124	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M-3H"	-3.021828
"505265"	104.035324	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M-3H"	-3.021828
"886347"	34.006924	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-3H"	-3.021828
"10390"	104.035324	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M-2H"	-2.014552
"446672"	156.556624	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M-2H"	-2.014552
"827753"	51.514024	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-2H"	-2.014552
"88838"	209.077924	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M-H"	-1.007276
"530589"	314.120524	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M-H"	-1.007276
"902923"	104.035324	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-H"	-1.007276
"52922"	226.104471	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M-2H+NH4"	16.019271
"499042"	331.147071	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M-2H+NH4"	16.019271
"874656"	121.061871	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-2H+NH4"	16.019271
"33810"	231.059866	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M-2H+Na"	20.974666
"475560"	336.102466	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M-2H+Na"	20.974666
"850442"	126.017266	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-2H+Na"	20.974666
"1620707"	126.017266	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Na-2H"	20.974666
"104892"	122.023663	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M-H+Cl"	33.962126
"542268"	174.544963	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M-H+Cl"	33.962126
"934692"	69.502363	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-H+Cl"	33.962126
"274340"	245.054602	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+Cl"	34.969402
"668947"	350.097202	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+Cl"	34.969402
"1279164"	140.012002	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Cl"	34.969402
"20628"	247.033806	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M-2H+K"	36.948606
"465658"	352.076406	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M-2H+K"	36.948606
"840180"	141.991206	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-2H+K"	36.948606
"1563668"	141.991206	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+K-2H"	36.948606
"953739"	150.040794	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-H+HCOOH"	44.998194
"373048"	255.083401	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+HCOOH-H"	44.998201
"358026"	269.099051	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+Hac-H"	59.013851
"1504673"	164.056451	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Hac-H"	59.013851
"966743"	172.022751	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-H+NaCOOH"	66.980151
"120027"	140.012002	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+2Cl"	69.938804
"562873"	192.533302	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+2Cl"	69.938804
"1034583"	87.490702	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2Cl"	69.938804
"1254162"	183.961485	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Br"	78.918885
"1317344"	186.017472	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Cl+HCOOH"	80.974872
"1333744"	207.999429	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Cl+NaCOOH"	102.956829
"922249"	218.028186	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M-H+CF3COOH"	112.985586
"1294583"	254.004864	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Cl+CF3COOH"	148.962264
"1370559"	70.029924	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H-2H2O"	-35.012676
"1386232"	88.0399	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H-H2O"	-17.0027
"289931"	211.092476	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+H"	1.007276
"683446"	316.135076	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+H"	1.007276
"1359796"	106.049876	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H"	1.007276
"131593"	106.049876	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+2H"	2.014552
"571152"	158.571176	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+2H"	2.014552
"1044323"	53.528576	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2H"	2.014552
"207491"	71.035676	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+3H"	3.021828
"652886"	106.049876	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+3H"	3.021828
"1167730"	36.021476	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+3H"	3.021828
"428816"	228.119023	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+NH4"	18.033823
"796010"	333.161623	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+NH4"	18.033823
"1685050"	123.076423	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+NH4"	18.033823
"331139"	114.5631495	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+H+NH4"	19.041099
"723925"	167.0844495	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+H+NH4"	19.041099
"1480666"	62.0418495	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H+NH4"	19.041099
"397158"	233.074418	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+Na"	22.989218
"755595"	338.117018	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+Na"	22.989218
"1604060"	128.031818	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Na"	22.989218
"317377"	117.040847	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+H+Na"	23.996494
"710889"	169.562147	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+H+Na"	23.996494
"1461669"	64.519547	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H+Na"	23.996494
"1055774"	43.34879	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2H+Na"	25.00377
"1257810"	138.076086	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+CH3OH+H"	33.033486
"380034"	249.048358	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+K"	38.963158
"741393"	354.090958	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+K"	38.963158
"1543448"	144.005758	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+K"	38.963158
"302084"	125.027817	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+H+K"	39.970434
"693777"	177.549117	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+H+K"	39.970434
"1446382"	72.506517	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H+K"	39.970434
"238026"	252.119026	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+ACN+H"	42.033826
"1211097"	147.076426	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+ACN+H"	42.033826
"1198627"	74.041851	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+ACN+2H"	43.041102
"190038"	255.05636	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+2Na-H"	44.97116
"632153"	360.09896	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+2Na-H"	44.97116
"1135660"	150.01376	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2Na-H"	44.97116
"177857"	128.031818	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+2Na"	45.978436
"614377"	180.553118	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+2Na"	45.978436
"1119101"	75.510518	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2Na"	45.978436
"1398977"	50.676104	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H+2Na"	46.985712
"1432192"	152.055346	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H+HCOOH"	47.012746
"221638"	133.06484	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+3H2O+2H"	56.04448
"1510672"	166.10739	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+IsoProp+H"	61.06479
"409997"	136.018788	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+Na+K"	61.952376
"771840"	188.540088	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+Na+K"	61.952376
"1671351"	83.497488	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Na+K"	61.952376
"261150"	274.100968	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+ACN+Na"	64.015768
"1237139"	169.058368	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+ACN+Na"	64.015768
"1722746"	169.081893	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+NH4+HCOOH"	64.039293
"1191379"	58.003418	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+3Na"	68.967654
"1659083"	174.037288	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Na+HCOOH"	68.994688
"169227"	287.00424	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+2K-H"	76.91904
"608790"	392.04684	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+2K-H"	76.91904
"1094397"	181.96164	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2K-H"	76.91904
"152306"	144.005758	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"2M+2K"	77.926316
"589678"	196.527058	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"3M+2K"	77.926316
"1075282"	91.484458	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2K"	77.926316
"1111771"	183.976192	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2K+H"	78.933592
"1349251"	184.063807	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+DMSO+H"	79.021207
"1018878"	188.102976	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2ACN+H"	83.060376
"1538828"	189.096608	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+IsoProp+Na+H"	84.054008
"996891"	94.555126	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+2ACN+2H"	84.067652
"1588114"	190.011228	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+K+HCOOH"	84.968628
"1414626"	220.042738	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+H+CF3COOH"	115.000138
"1159383"	115.068401	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+3ACN+2H"	125.094202
"1711368"	237.069285	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+NH4+CF3COOH"	132.026685
"1645678"	242.02468	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+Na+CF3COOH"	136.98208
"1584610"	257.99862	"C00065"	"L-Serine;L-2-Amino-3-hydroxypropionic acid;L-3-Hydroxy-alanine;Serine"	"C3H7NO3"	"105.0426"	"M+K+CF3COOH"	152.95602
"805134"	30.0106	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M"	0
"981949"	10.99221	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-H2O-H"	-19.01839
"71284"	18.9997906666667	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M-3H"	-3.021828
"510843"	29.003324	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M-3H"	-3.021828
"891925"	8.99625733333333	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-3H"	-3.021828
"14512"	29.003324	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M-2H"	-2.014552
"452249"	44.008624	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M-2H"	-2.014552
"827863"	13.998024	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-2H"	-2.014552
"88949"	59.013924	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M-H"	-1.007276
"529973"	89.024524	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M-H"	-1.007276
"903034"	29.003324	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-H"	-1.007276
"59230"	76.040471	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M-2H+NH4"	16.019271
"496968"	106.051071	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M-2H+NH4"	16.019271
"870394"	46.029871	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-2H+NH4"	16.019271
"38296"	80.995866	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M-2H+Na"	20.974666
"474936"	111.006466	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M-2H+Na"	20.974666
"851281"	50.985266	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-2H+Na"	20.974666
"1620817"	50.985266	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Na-2H"	20.974666
"106095"	46.991663	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M-H+Cl"	33.962126
"542377"	61.996963	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M-H+Cl"	33.962126
"936989"	31.986363	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-H+Cl"	33.962126
"277732"	94.990602	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+Cl"	34.969402
"664685"	125.001202	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+Cl"	34.969402
"1277087"	64.980002	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Cl"	34.969402
"21831"	96.969806	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M-2H+K"	36.948606
"467951"	126.980406	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M-2H+K"	36.948606
"836277"	66.959206	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-2H+K"	36.948606
"1561588"	66.959206	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+K-2H"	36.948606
"954941"	75.008794	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-H+HCOOH"	44.998194
"372065"	105.019401	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+HCOOH-H"	44.998201
"351572"	119.035051	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+Hac-H"	59.013851
"1503688"	89.024451	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Hac-H"	59.013851
"969411"	96.990751	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-H+NaCOOH"	66.980151
"120137"	64.980002	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+2Cl"	69.938804
"557509"	79.985302	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+2Cl"	69.938804
"1031778"	49.974702	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2Cl"	69.938804
"1248079"	108.929485	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Br"	78.918885
"1317454"	110.985472	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Cl+HCOOH"	80.974872
"1334219"	132.967429	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Cl+NaCOOH"	102.956829
"925276"	142.996186	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M-H+CF3COOH"	112.985586
"1296880"	178.972864	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Cl+CF3COOH"	148.962264
"1371764"	-5.002076	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H-2H2O"	-35.012676
"1387071"	13.0079	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H-H2O"	-17.0027
"285666"	61.028476	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+H"	1.007276
"679181"	91.039076	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+H"	1.007276
"1353343"	31.017876	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H"	1.007276
"137168"	31.017876	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+2H"	2.014552
"574179"	46.023176	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+2H"	2.014552
"1043340"	16.012576	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2H"	2.014552
"211245"	21.0143426666667	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+3H"	3.021828
"652997"	31.017876	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+3H"	3.021828
"1172215"	11.0108093333333	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+3H"	3.021828
"432206"	78.055023	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+NH4"	18.033823
"788830"	108.065623	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+NH4"	18.033823
"1684427"	48.044423	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+NH4"	18.033823
"331616"	39.5311495	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+H+NH4"	19.041099
"724765"	54.5364495	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+H+NH4"	19.041099
"1480775"	24.5258495	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H+NH4"	19.041099
"395801"	83.010418	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+Na"	22.989218
"755704"	113.021018	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+Na"	22.989218
"1604047"	52.999818	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Na"	22.989218
"314807"	42.008847	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+H+Na"	23.996494
"707709"	57.014147	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+H+Na"	23.996494
"1461570"	27.003547	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H+Na"	23.996494
"1056245"	18.3381233333333	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2H+Na"	25.00377
"1257922"	63.044086	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+CH3OH+H"	33.033486
"378324"	98.984358	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+K"	38.963158
"742237"	128.994958	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+K"	38.963158
"1542102"	68.973758	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+K"	38.963158
"301465"	49.995817	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+H+K"	39.970434
"693522"	65.001117	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+H+K"	39.970434
"1449171"	34.990517	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H+K"	39.970434
"237405"	102.055026	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+ACN+H"	42.033826
"1214123"	72.044426	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+ACN+H"	42.033826
"1197279"	36.525851	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+ACN+2H"	43.041102
"191246"	104.99236	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+2Na-H"	44.97116
"634453"	135.00296	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+2Na-H"	44.97116
"1136866"	74.98176	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2Na-H"	44.97116
"181250"	52.999818	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+2Na"	45.978436
"615337"	68.005118	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+2Na"	45.978436
"1119205"	37.994518	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2Na"	45.978436
"1399452"	25.6654373333333	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H+2Na"	46.985712
"1432302"	77.023346	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H+HCOOH"	47.012746
"221631"	58.03284	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+3H2O+2H"	56.04448
"1510417"	91.07539	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+IsoProp+H"	61.06479
"410839"	60.986788	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+Na+K"	61.952376
"781326"	75.992088	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+Na+K"	61.952376
"1674740"	45.981488	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Na+K"	61.952376
"259071"	124.036968	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+ACN+Na"	64.015768
"1235061"	94.026368	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+ACN+Na"	64.015768
"1720667"	94.049893	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+NH4+HCOOH"	64.039293
"1188209"	32.9927513333333	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+3Na"	68.967654
"1661382"	99.005288	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Na+HCOOH"	68.994688
"167150"	136.94024	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+2K-H"	76.91904
"608900"	166.95084	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+2K-H"	76.91904
"1094507"	106.92964	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2K-H"	76.91904
"151323"	68.973758	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"2M+2K"	77.926316
"590881"	83.979058	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"3M+2K"	77.926316
"1081955"	53.968458	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2K"	77.926316
"1114316"	108.944192	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2K+H"	78.933592
"1348269"	109.031807	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+DMSO+H"	79.021207
"1018866"	113.070976	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2ACN+H"	83.060376
"1536020"	114.064608	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+IsoProp+Na+H"	84.054008
"991901"	57.039126	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+2ACN+2H"	84.067652
"1588709"	114.979228	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+K+HCOOH"	84.968628
"1416080"	145.010738	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+H+CF3COOH"	115.000138
"1159493"	77.552401	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+3ACN+2H"	125.094202
"1712572"	162.037285	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+NH4+CF3COOH"	132.026685
"1649557"	166.99268	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+Na+CF3COOH"	136.98208
"1574880"	182.96662	"C00067"	"Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin"	"CH2O"	"30.0106"	"M+K+CF3COOH"	152.95602
"805244"	425.045	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M"	0
"982059"	406.02661	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-H2O-H"	-19.01839
"71394"	282.356057333333	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M-3H"	-3.021828
"510953"	424.037724	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M-3H"	-3.021828
"889848"	140.674390666667	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-3H"	-3.021828
"10610"	424.037724	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M-2H"	-2.014552
"453452"	636.560224	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M-2H"	-2.014552
"832226"	211.515224	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-2H"	-2.014552
"92339"	849.082724	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M-H"	-1.007276
"531539"	1274.127724	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M-H"	-1.007276
"903144"	424.037724	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-H"	-1.007276
"58609"	866.109271	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M-2H+NH4"	16.019271
"501087"	1291.154271	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M-2H+NH4"	16.019271
"871600"	441.064271	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-2H+NH4"	16.019271
"44970"	871.064666	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M-2H+Na"	20.974666
"479056"	1296.109666	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M-2H+Na"	20.974666
"852484"	446.019666	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-2H+Na"	20.974666
"1623114"	446.019666	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Na-2H"	20.974666
"99645"	442.026063	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M-H+Cl"	33.962126
"541393"	654.548563	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M-H+Cl"	33.962126
"939650"	229.503563	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-H+Cl"	33.962126
"275655"	885.059402	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+Cl"	34.969402
"666981"	1310.104402	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+Cl"	34.969402
"1279383"	460.014402	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Cl"	34.969402
"21941"	887.038606	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M-2H+K"	36.948606
"468061"	1312.083606	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M-2H+K"	36.948606
"836386"	461.993606	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-2H+K"	36.948606
"1561699"	461.993606	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+K-2H"	36.948606
"957239"	470.043194	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-H+HCOOH"	44.998194
"372175"	895.088201	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+HCOOH-H"	44.998201
"351681"	909.103851	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+Hac-H"	59.013851
"1506714"	484.058851	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Hac-H"	59.013851
"969521"	492.025151	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-H+NaCOOH"	66.980151
"122434"	460.014402	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+2Cl"	69.938804
"558712"	672.536902	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+2Cl"	69.938804
"1032981"	247.491902	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2Cl"	69.938804
"1247096"	503.963885	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Br"	78.918885
"1313917"	506.019872	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Cl+HCOOH"	80.974872
"1332506"	528.001829	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Cl+NaCOOH"	102.956829
"924657"	538.030586	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M-H+CF3COOH"	112.985586
"1296990"	574.007264	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Cl+CF3COOH"	148.962264
"1370780"	390.032324	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H-2H2O"	-35.012676
"1386451"	408.0423	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H-H2O"	-17.0027
"286504"	851.097276	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+H"	1.007276
"679290"	1276.142276	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+H"	1.007276
"1353816"	426.052276	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H"	1.007276
"136186"	426.052276	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+2H"	2.014552
"573560"	638.574776	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+2H"	2.014552
"1039804"	213.529776	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2H"	2.014552
"210261"	284.370609333333	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+3H"	3.021828
"648733"	426.052276	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+3H"	3.021828
"1170138"	142.688942666667	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+3H"	3.021828
"430129"	868.123823	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+NH4"	18.033823
"788940"	1293.168823	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+NH4"	18.033823
"1685266"	443.078823	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+NH4"	18.033823
"331725"	434.5655495	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+H+NH4"	19.041099
"725970"	647.0880495	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+H+NH4"	19.041099
"1480156"	222.0430495	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H+NH4"	19.041099
"395912"	873.079218	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+Na"	22.989218
"755087"	1298.124218	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+Na"	22.989218
"1604279"	448.034218	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Na"	22.989218
"314424"	437.043247	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+H+Na"	23.996494
"707205"	649.565747	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+H+Na"	23.996494
"1461512"	224.520747	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H+Na"	23.996494
"1055262"	150.016256666667	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2H+Na"	25.00377
"1258762"	458.078486	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+CH3OH+H"	33.033486
"378070"	889.053158	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+K"	38.963158
"738941"	1314.098158	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+K"	38.963158
"1542212"	464.008158	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+K"	38.963158
"302669"	445.030217	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+H+K"	39.970434
"692417"	657.552717	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+H+K"	39.970434
"1446601"	232.507717	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H+K"	39.970434
"236422"	892.123826	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+ACN+H"	42.033826
"1211680"	467.078826	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+ACN+H"	42.033826
"1195931"	234.043051	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+ACN+2H"	43.041102
"190261"	895.06116	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+2Na-H"	44.97116
"638937"	1320.10616	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+2Na-H"	44.97116
"1139164"	470.01616	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2Na-H"	44.97116
"181360"	448.034218	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+2Na"	45.978436
"617640"	660.556718	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+2Na"	45.978436
"1116765"	235.511718	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2Na"	45.978436
"1399566"	157.343570666667	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H+2Na"	46.985712
"1433505"	472.057746	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H+HCOOH"	47.012746
"221374"	453.06724	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+3H2O+2H"	56.04448
"1509434"	486.10979	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+IsoProp+H"	61.06479
"409852"	456.021188	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+Na+K"	61.952376
"782529"	668.543688	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+Na+K"	61.952376
"1675942"	243.498688	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Na+K"	61.952376
"261367"	914.105768	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+ACN+Na"	64.015768
"1235171"	489.060768	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+ACN+Na"	64.015768
"1721870"	489.084293	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+NH4+HCOOH"	64.039293
"1187225"	164.670884666667	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+3Na"	68.967654
"1661492"	494.039688	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Na+HCOOH"	68.994688
"168353"	927.00904	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+2K-H"	76.91904
"607916"	1352.05404	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+2K-H"	76.91904
"1096803"	501.96404	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2K-H"	76.91904
"154713"	464.008158	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"2M+2K"	77.926316
"593178"	676.530658	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"3M+2K"	77.926316
"1083773"	251.485658	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2K"	77.926316
"1115120"	503.978592	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2K+H"	78.933592
"1350326"	504.066207	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+DMSO+H"	79.021207
"1020560"	508.105376	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2ACN+H"	83.060376
"1536130"	509.099008	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+IsoProp+Na+H"	84.054008
"997112"	254.556326	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+2ACN+2H"	84.067652
"1590521"	510.013628	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+K+HCOOH"	84.968628
"1416190"	540.045138	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+H+CF3COOH"	115.000138
"1159603"	275.069601	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+3ACN+2H"	125.094202
"1711224"	557.071685	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+NH4+CF3COOH"	132.026685
"1649181"	562.02708	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+Na+CF3COOH"	136.98208
"1574990"	578.00102	"C00068"	"Thiamin diphosphate;Thiamine diphosphate;Thiamin pyrophosphate;TPP;ThPP"	"C12H19N4O7P2S"	"425.045"	"M+K+CF3COOH"	152.95602
"805355"	62.9296	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M"	0
"982168"	43.91121	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-H2O-H"	-19.01839
"75879"	40.9457906666667	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M-3H"	-3.021828
"513251"	61.922324	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M-3H"	-3.021828
"891051"	19.9692573333333	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-3H"	-3.021828
"15094"	61.922324	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M-2H"	-2.014552
"450280"	93.387124	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M-2H"	-2.014552
"830272"	30.457524	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-2H"	-2.014552
"92092"	124.851924	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M-H"	-1.007276
"530557"	187.781524	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M-H"	-1.007276
"904342"	61.922324	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-H"	-1.007276
"61399"	141.878471	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M-2H+NH4"	16.019271
"501444"	204.808071	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M-2H+NH4"	16.019271
"877177"	78.948871	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-2H+NH4"	16.019271
"38513"	146.833866	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M-2H+Na"	20.974666
"479166"	209.763466	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M-2H+Na"	20.974666
"853690"	83.904266	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-2H+Na"	20.974666
"1621038"	83.904266	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Na-2H"	20.974666
"101943"	79.910663	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M-H+Cl"	33.962126
"538222"	111.375463	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M-H+Cl"	33.962126
"939762"	48.445863	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-H+Cl"	33.962126
"279045"	160.828602	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+Cl"	34.969402
"668184"	223.758202	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+Cl"	34.969402
"1279495"	97.899002	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Cl"	34.969402
"26425"	162.807806	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M-2H+K"	36.948606
"468172"	225.737406	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M-2H+K"	36.948606
"842695"	99.878206	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-2H+K"	36.948606
"1565091"	99.878206	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+K-2H"	36.948606
"952975"	107.927794	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-H+HCOOH"	44.998194
"374472"	170.857401	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+HCOOH-H"	44.998201
"357263"	184.873051	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+Hac-H"	59.013851
"1501724"	121.943451	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Hac-H"	59.013851
"970359"	129.909751	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-H+NaCOOH"	66.980151
"120358"	97.899002	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+2Cl"	69.938804
"561742"	129.363802	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+2Cl"	69.938804
"1034916"	66.434202	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2Cl"	69.938804
"1248299"	141.848485	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Br"	78.918885
"1315118"	143.904472	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Cl+HCOOH"	80.974872
"1332980"	165.886429	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Cl+NaCOOH"	102.956829
"922579"	175.915186	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M-H+CF3COOH"	112.985586
"1293821"	211.891864	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Cl+CF3COOH"	148.962264
"1373078"	27.916924	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H-2H2O"	-35.012676
"1386563"	45.9269	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H-H2O"	-17.0027
"286977"	126.866476	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+H"	1.007276
"678671"	189.796076	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+H"	1.007276
"1356845"	63.936876	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H"	1.007276
"129002"	63.936876	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+2H"	2.014552
"570389"	95.401676	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+2H"	2.014552
"1040285"	32.472076	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2H"	2.014552
"212562"	42.9603426666667	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+3H"	3.021828
"647751"	63.936876	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+3H"	3.021828
"1170248"	21.9838093333333	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+3H"	3.021828
"432426"	143.893023	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+NH4"	18.033823
"790144"	206.822623	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+NH4"	18.033823
"1681856"	80.963423	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+NH4"	18.033823
"332569"	72.4501495	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+H+NH4"	19.041099
"722952"	103.9149495	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+H+NH4"	19.041099
"1484276"	40.9853495	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H+NH4"	19.041099
"392983"	148.848418	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+Na"	22.989218
"754467"	211.778018	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+Na"	22.989218
"1602925"	85.918818	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Na"	22.989218
"314302"	74.927847	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+H+Na"	23.996494
"707141"	106.392647	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+H+Na"	23.996494
"1463952"	43.463047	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H+Na"	23.996494
"1054279"	29.3111233333333	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2H+Na"	25.00377
"1259971"	95.963086	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+CH3OH+H"	33.033486
"378909"	164.822358	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+K"	38.963158
"738930"	227.751958	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+K"	38.963158
"1540246"	101.892758	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+K"	38.963158
"299493"	82.914817	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+H+K"	39.970434
"692647"	114.379617	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+H+K"	39.970434
"1448290"	51.450017	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H+K"	39.970434
"236892"	167.893026	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+ACN+H"	42.033826
"1210691"	104.963426	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+ACN+H"	42.033826
"1195310"	52.985351	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+ACN+2H"	43.041102
"189108"	170.83036	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+2Na-H"	44.97116
"630663"	233.75996	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+2Na-H"	44.97116
"1133072"	107.90076	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2Na-H"	44.97116
"173448"	85.918818	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+2Na"	45.978436
"613071"	117.383618	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+2Na"	45.978436
"1116143"	54.454018	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2Na"	45.978436
"1399056"	36.6384373333333	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H+2Na"	46.985712
"1431054"	109.942346	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H+HCOOH"	47.012746
"220147"	90.95184	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+3H2O+2H"	56.04448
"1508627"	123.99439	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+IsoProp+H"	61.06479
"410332"	93.905788	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+Na+K"	61.952376
"780816"	125.370588	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+Na+K"	61.952376
"1670587"	62.440988	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Na+K"	61.952376
"256010"	189.874968	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+ACN+Na"	64.015768
"1234188"	126.945368	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+ACN+Na"	64.015768
"1723075"	126.968893	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+NH4+HCOOH"	64.039293
"1186243"	43.9657513333333	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+3Na"	68.967654
"1658323"	131.924288	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Na+HCOOH"	68.994688
"168467"	202.77824	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+2K-H"	76.91904
"605840"	265.70784	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+2K-H"	76.91904
"1097641"	139.84864	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2K-H"	76.91904
"156765"	101.892758	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"2M+2K"	77.926316
"595474"	133.357558	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"3M+2K"	77.926316
"1078892"	70.427958	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2K"	77.926316
"1107727"	141.863192	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2K+H"	78.933592
"1350311"	141.950807	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+DMSO+H"	79.021207
"1020422"	145.989976	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2ACN+H"	83.060376
"1528587"	146.983608	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+IsoProp+Na+H"	84.054008
"992847"	73.498626	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+2ACN+2H"	84.067652
"1598297"	147.898228	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+K+HCOOH"	84.968628
"1428698"	177.929738	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+H+CF3COOH"	115.000138
"1159718"	94.011901	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+3ACN+2H"	125.094202
"1708172"	194.956285	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+NH4+CF3COOH"	132.026685
"1640544"	199.91168	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+Na+CF3COOH"	136.98208
"1575101"	215.88562	"C00070"	"Copper;Cu;Cu2;Cu(II)"	"Cu"	"62.9296"	"M+K+CF3COOH"	152.95602
"815307"	176.0321	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M"	0
"988477"	157.01371	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"75988"	116.347457333333	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"515549"	175.024824	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"891163"	57.6700906666667	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"8646"	175.024824	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"451487"	263.040874	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"830018"	87.008774	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"91836"	351.056924	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"531025"	527.089024	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"909678"	175.024824	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"58828"	368.083471	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"500332"	544.115571	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"865985"	192.051371	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"34616"	373.038866	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"472348"	549.070966	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"855989"	197.006766	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1624430"	197.006766	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"105335"	193.013163	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"543803"	281.029213	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"940237"	104.997113	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"278061"	387.033602	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"672669"	563.065702	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1286165"	211.001502	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"29697"	389.012806	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"469747"	565.044906	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"843899"	212.980706	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1568481"	212.980706	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"956002"	221.030294	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"371299"	397.062401	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"357372"	411.078051	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1507547"	235.045951	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"971196"	243.012251	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"121558"	211.001502	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"563676"	299.017552	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1033205"	122.985452	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1253509"	254.950985	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1316323"	257.006972	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1329445"	278.988929	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"919414"	289.017686	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1293934"	324.994364	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1377562"	141.019424	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1387403"	159.0294	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"285265"	353.071476	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"680605"	529.103576	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1362060"	177.039376	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"138232"	177.039376	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"571596"	265.055426	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1041491"	89.023326	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"212673"	118.362009333333	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"651142"	177.039376	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1170358"	59.6846426666667	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"434359"	370.098023	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"789161"	546.130123	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1686585"	194.065923	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"330326"	185.5526495	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"729473"	273.5686995	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1477577"	97.5365995	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"395409"	375.053418	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"756402"	551.085518	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1606689"	199.021318	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"314304"	188.030347	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"707270"	276.046397	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1464062"	100.014297	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1054024"	67.0119566666667	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1258254"	209.065586	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"379018"	391.027358	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"740380"	567.059458	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1540605"	214.995258	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"300698"	196.017317	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"692756"	284.033367	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1447305"	108.001267	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"237004"	394.098026	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1211897"	218.065926	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1196150"	109.536601	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"188815"	397.03536	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"632230"	573.06746	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1134276"	221.00326	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"174650"	199.021318	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"613359"	287.037368	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1116008"	111.005268	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1398719"	74.3392706666667	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1430554"	223.044846	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"220407"	204.05434	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1509667"	237.09689	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"411543"	207.008288	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"782748"	295.024338	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1676165"	118.992238	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"260501"	416.079968	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1238314"	240.047868	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1727199"	240.071393	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1189636"	81.6665846666667	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1662811"	245.026788	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"166391"	428.98324	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"611055"	605.01534	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1097025"	252.95114	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"154935"	214.995258	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"597077"	303.011308	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1083996"	126.979208	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1115469"	254.965692	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1349573"	255.053307	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1006566"	259.092476	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1527611"	260.086108	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"996251"	130.049876	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1587956"	261.000728	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1414830"	291.032238	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1151073"	150.563151	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1702817"	308.058785	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1640655"	313.01418	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1585053"	328.98812	"C00072"	"Ascorbate;Ascorbic acid;L-Ascorbate;L-Ascorbic acid;Vitamin C"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"802296"	149.051	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M"	0
"976921"	130.03261	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-H2O-H"	-19.01839
"70630"	98.3600573333333	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M-3H"	-3.021828
"508004"	148.043724	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M-3H"	-3.021828
"893460"	48.6763906666667	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-3H"	-3.021828
"12036"	148.043724	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M-2H"	-2.014552
"451596"	222.569224	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M-2H"	-2.014552
"830494"	73.518224	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-2H"	-2.014552
"92186"	297.094724	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M-H"	-1.007276
"531135"	446.145724	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M-H"	-1.007276
"906750"	148.043724	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-H"	-1.007276
"55656"	314.121271	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+NH4"	16.019271
"493029"	463.172271	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+NH4"	16.019271
"865122"	165.070271	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-2H+NH4"	16.019271
"32176"	319.076666	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+Na"	20.974666
"472578"	468.127666	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+Na"	20.974666
"855006"	170.025666	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-2H+Na"	20.974666
"1630013"	170.025666	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Na-2H"	20.974666
"105451"	166.032063	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M-H+Cl"	33.962126
"548538"	240.557563	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M-H+Cl"	33.962126
"941077"	91.506563	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-H+Cl"	33.962126
"277447"	333.071402	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+Cl"	34.969402
"672785"	482.122402	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+Cl"	34.969402
"1287504"	184.020402	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Cl"	34.969402
"28471"	335.050606	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+K"	36.948606
"469129"	484.101606	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+K"	36.948606
"846198"	185.999606	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-2H+K"	36.948606
"1568956"	185.999606	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+K-2H"	36.948606
"955384"	194.049194	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-H+HCOOH"	44.998194
"373602"	343.100201	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+HCOOH-H"	44.998201
"357483"	357.115851	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+Hac-H"	59.013851
"1504494"	208.064851	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Hac-H"	59.013851
"972767"	216.031151	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-H+NaCOOH"	66.980151
"119850"	184.020402	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+2Cl"	69.938804
"561963"	258.545902	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+2Cl"	69.938804
"1034773"	109.494902	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2Cl"	69.938804
"1250700"	227.969885	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Br"	78.918885
"1312059"	230.025872	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+HCOOH"	80.974872
"1329920"	252.007829	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+NaCOOH"	102.956829
"922805"	262.036586	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M-H+CF3COOH"	112.985586
"1296230"	298.013264	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+CF3COOH"	148.962264
"1374392"	114.038324	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H-2H2O"	-35.012676
"1386420"	132.0483	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H-H2O"	-17.0027
"288291"	299.109276	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+H"	1.007276
"678161"	448.160276	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+H"	1.007276
"1357066"	150.058276	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H"	1.007276
"138342"	150.058276	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+2H"	2.014552
"571706"	224.583776	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+2H"	2.014552
"1041601"	75.532776	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2H"	2.014552
"209503"	100.374609333333	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+3H"	3.021828
"656719"	150.058276	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+3H"	3.021828
"1172290"	50.6909426666667	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+3H"	3.021828
"435926"	316.135823	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+NH4"	18.033823
"791457"	465.186823	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+NH4"	18.033823
"1689975"	167.084823	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+NH4"	18.033823
"332787"	158.5715495	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+H+NH4"	19.041099
"729583"	233.0970495	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+H+NH4"	19.041099
"1477562"	84.0460495	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H+NH4"	19.041099
"394790"	321.091218	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+Na"	22.989218
"755291"	470.142218	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+Na"	22.989218
"1603265"	172.040218	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Na"	22.989218
"314636"	161.049247	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+H+Na"	23.996494
"707462"	235.574747	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+H+Na"	23.996494
"1462228"	86.523747	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H+Na"	23.996494
"1054138"	58.0182566666667	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2H+Na"	25.00377
"1260191"	182.084486	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+CH3OH+H"	33.033486
"378639"	337.065158	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+K"	38.963158
"740851"	486.116158	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+K"	38.963158
"1541442"	188.014158	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+K"	38.963158
"300442"	169.036217	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+H+K"	39.970434
"694324"	243.561717	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+H+K"	39.970434
"1448509"	94.510717	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H+K"	39.970434
"238570"	340.135826	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+ACN+H"	42.033826
"1212738"	191.084826	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+H"	42.033826
"1196989"	96.046051	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+2H"	43.041102
"190951"	343.07316	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+2Na-H"	44.97116
"631976"	492.12416	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+2Na-H"	44.97116
"1134750"	194.02216	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2Na-H"	44.97116
"175124"	172.040218	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+2Na"	45.978436
"615050"	246.565718	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+2Na"	45.978436
"1116609"	97.514718	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2Na"	45.978436
"1399035"	65.3455706666667	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H+2Na"	46.985712
"1430296"	196.063746	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H+HCOOH"	47.012746
"220598"	177.07324	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+3H2O+2H"	56.04448
"1512691"	210.11579	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+IsoProp+H"	61.06479
"411288"	180.027188	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+Na+K"	61.952376
"771191"	254.552688	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+Na+K"	61.952376
"1672990"	105.501688	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Na+K"	61.952376
"262793"	362.117768	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+ACN+Na"	64.015768
"1236230"	213.066768	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+Na"	64.015768
"1724389"	213.090293	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+NH4+HCOOH"	64.039293
"1191203"	72.6728846666667	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+3Na"	68.967654
"1661824"	218.045688	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Na+HCOOH"	68.994688
"168684"	375.02104	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+2K-H"	76.91904
"607155"	524.07204	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+2K-H"	76.91904
"1096042"	225.97004	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2K-H"	76.91904
"154803"	188.014158	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"2M+2K"	77.926316
"596311"	262.539658	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"3M+2K"	77.926316
"1081304"	113.488658	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2K"	77.926316
"1114271"	227.984592	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2K+H"	78.933592
"1350046"	228.072207	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+DMSO+H"	79.021207
"1005740"	232.111376	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2ACN+H"	83.060376
"1527721"	233.105008	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+IsoProp+Na+H"	84.054008
"998549"	116.559326	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+2ACN+2H"	84.067652
"1595238"	234.019628	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+K+HCOOH"	84.968628
"1417616"	264.051138	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+H+CF3COOH"	115.000138
"1152278"	137.072601	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+3ACN+2H"	125.094202
"1702927"	281.077685	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+NH4+CF3COOH"	132.026685
"1640765"	286.03308	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+Na+CF3COOH"	136.98208
"1585163"	302.00702	"C00073"	"L-Methionine;Methionine;L-2-Amino-4methylthiobutyric acid"	"C5H11NO2S"	"149.051"	"M+K+CF3COOH"	152.95602
"812247"	167.9824	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M"	0
"983592"	148.96401	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-H2O-H"	-19.01839
"72928"	110.980990666667	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M-3H"	-3.021828
"515769"	166.975124	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M-3H"	-3.021828
"893570"	54.9868573333333	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-3H"	-3.021828
"7770"	166.975124	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M-2H"	-2.014552
"452798"	250.966324	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M-2H"	-2.014552
"828412"	82.983924	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-2H"	-2.014552
"85122"	334.957524	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M-H"	-1.007276
"530152"	502.939924	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M-H"	-1.007276
"905766"	166.975124	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-H"	-1.007276
"60871"	351.984071	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M-2H+NH4"	16.019271
"498607"	519.966471	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M-2H+NH4"	16.019271
"864991"	184.001671	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-2H+NH4"	16.019271
"32770"	356.939466	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M-2H+Na"	20.974666
"472569"	524.921866	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M-2H+Na"	20.974666
"849399"	188.957066	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-2H+Na"	20.974666
"1626839"	188.957066	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Na-2H"	20.974666
"109455"	184.963463	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M-H+Cl"	33.962126
"546579"	268.954663	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M-H+Cl"	33.962126
"940094"	100.972263	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-H+Cl"	33.962126
"277192"	370.934202	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+Cl"	34.969402
"673259"	538.916602	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+Cl"	34.969402
"1288272"	202.951802	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Cl"	34.969402
"30043"	372.913406	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M-2H+K"	36.948606
"470461"	540.895806	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M-2H+K"	36.948606
"847405"	204.931006	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-2H+K"	36.948606
"1569432"	204.931006	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+K-2H"	36.948606
"957448"	212.980594	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-H+HCOOH"	44.998194
"375167"	380.963001	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+HCOOH-H"	44.998201
"357228"	394.978651	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+Hac-H"	59.013851
"1505699"	226.996251	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Hac-H"	59.013851
"973733"	234.962551	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-H+NaCOOH"	66.980151
"122149"	202.951802	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+2Cl"	69.938804
"562437"	286.943002	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+2Cl"	69.938804
"1035613"	118.960602	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2Cl"	69.938804
"1254460"	246.901285	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Br"	78.918885
"1315085"	248.957272	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Cl+HCOOH"	80.974872
"1332218"	270.939229	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Cl+NaCOOH"	102.956829
"922915"	280.967986	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M-H+CF3COOH"	112.985586
"1297435"	316.944664	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Cl+CF3COOH"	148.962264
"1377784"	132.969724	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H-2H2O"	-35.012676
"1390905"	150.9797	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H-H2O"	-17.0027
"287311"	336.972076	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+H"	1.007276
"679732"	504.954476	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+H"	1.007276
"1361187"	168.989676	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H"	1.007276
"138452"	168.989676	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+2H"	2.014552
"576191"	252.980876	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+2H"	2.014552
"1042804"	84.998476	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2H"	2.014552
"209613"	112.995542666667	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+3H"	3.021828
"657558"	168.989676	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+3H"	3.021828
"1174953"	57.0014093333333	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+3H"	3.021828
"437496"	353.998623	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+NH4"	18.033823
"798857"	521.981023	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+NH4"	18.033823
"1691180"	186.016223	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+NH4"	18.033823
"342737"	177.5029495	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+H+NH4"	19.041099
"732974"	261.4941495	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+H+NH4"	19.041099
"1482418"	93.5117495	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H+NH4"	19.041099
"398910"	358.954018	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+Na"	22.989218
"757716"	526.936418	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+Na"	22.989218
"1604113"	190.971618	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Na"	22.989218
"315122"	179.980647	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+H+Na"	23.996494
"707657"	263.971847	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+H+Na"	23.996494
"1462336"	95.989447	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H+Na"	23.996494
"1053071"	64.3287233333333	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2H+Na"	25.00377
"1257750"	201.015886	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+CH3OH+H"	33.033486
"377900"	374.927958	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+K"	38.963158
"740230"	542.910358	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+K"	38.963158
"1541189"	206.945558	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+K"	38.963158
"299823"	187.967617	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+H+K"	39.970434
"692613"	271.958817	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+H+K"	39.970434
"1447527"	103.976417	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H+K"	39.970434
"239048"	377.998626	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+ACN+H"	42.033826
"1212852"	210.016226	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+ACN+H"	42.033826
"1197097"	105.511751	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+ACN+2H"	43.041102
"191064"	380.93596	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+2Na-H"	44.97116
"632817"	548.91836	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+2Na-H"	44.97116
"1135229"	212.95356	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2Na-H"	44.97116
"174144"	190.971618	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+2Na"	45.978436
"614068"	274.962818	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+2Na"	45.978436
"1118308"	106.980418	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2Na"	45.978436
"1399517"	71.6560373333333	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H+2Na"	46.985712
"1430462"	214.995146	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H+HCOOH"	47.012746
"220472"	196.00464	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+3H2O+2H"	56.04448
"1511710"	229.04719	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+IsoProp+H"	61.06479
"409252"	198.958588	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+Na+K"	61.952376
"770690"	282.949788	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+Na+K"	61.952376
"1670913"	114.967388	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Na+K"	61.952376
"253786"	399.980568	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+ACN+Na"	64.015768
"1230503"	231.998168	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+ACN+Na"	64.015768
"1716843"	232.021693	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+NH4+HCOOH"	64.039293
"1190947"	78.9833513333333	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+3Na"	68.967654
"1661934"	236.977088	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Na+HCOOH"	68.994688
"170981"	412.88384	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+2K-H"	76.91904
"607265"	580.86624	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+2K-H"	76.91904
"1096152"	244.90144	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2K-H"	76.91904
"154062"	206.945558	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"2M+2K"	77.926316
"595324"	290.936758	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"3M+2K"	77.926316
"1080321"	122.954358	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2K"	77.926316
"1110249"	246.915992	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2K+H"	78.933592
"1349670"	247.003607	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+DMSO+H"	79.021207
"1006665"	251.042776	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2ACN+H"	83.060376
"1531111"	252.036408	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+IsoProp+Na+H"	84.054008
"999387"	126.025026	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+2ACN+2H"	84.067652
"1594254"	252.951028	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+K+HCOOH"	84.968628
"1418820"	282.982538	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+H+CF3COOH"	115.000138
"1152388"	146.538301	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+3ACN+2H"	125.094202
"1703037"	300.009085	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+NH4+CF3COOH"	132.026685
"1640875"	304.96448	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+Na+CF3COOH"	136.98208
"1585273"	320.93842	"C00074"	"Phosphoenolpyruvate;Phosphoenolpyruvic acid;PEP"	"C3H5O6P"	"167.9824"	"M+K+CF3COOH"	152.95602
"803244"	483.9685	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M"	0
"977141"	464.95011	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-H2O-H"	-19.01839
"73037"	321.638390666667	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M-3H"	-3.021828
"511504"	482.961224	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M-3H"	-3.021828
"891493"	160.315557333333	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-3H"	-3.021828
"4600"	482.961224	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M-2H"	-2.014552
"445254"	724.945474	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M-2H"	-2.014552
"828522"	240.976974	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-2H"	-2.014552
"85232"	966.929724	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M-H"	-1.007276
"528075"	1450.898224	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M-H"	-1.007276
"900408"	482.961224	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-H"	-1.007276
"49311"	983.956271	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M-2H+NH4"	16.019271
"496530"	1467.924771	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M-2H+NH4"	16.019271
"864614"	499.987771	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-2H+NH4"	16.019271
"32142"	988.911666	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M-2H+Na"	20.974666
"472918"	1472.880166	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M-2H+Na"	20.974666
"848904"	504.943166	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-2H+Na"	20.974666
"1626949"	504.943166	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Na-2H"	20.974666
"109564"	500.949563	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M-H+Cl"	33.962126
"549817"	742.933813	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M-H+Cl"	33.962126
"942354"	258.965313	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-H+Cl"	33.962126
"277302"	1002.906402	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+Cl"	34.969402
"673004"	1486.874902	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+Cl"	34.969402
"1287975"	518.937902	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Cl"	34.969402
"31189"	1004.885606	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M-2H+K"	36.948606
"470803"	1488.854106	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M-2H+K"	36.948606
"848241"	520.917106	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-2H+K"	36.948606
"1569542"	520.917106	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+K-2H"	36.948606
"957424"	528.966694	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-H+HCOOH"	44.998194
"376369"	1012.935201	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+HCOOH-H"	44.998201
"358795"	1026.950851	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+Hac-H"	59.013851
"1506535"	542.982351	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Hac-H"	59.013851
"973111"	550.948651	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-H+NaCOOH"	66.980151
"122623"	518.937902	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+2Cl"	69.938804
"560723"	760.922152	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+2Cl"	69.938804
"1034994"	276.953652	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2Cl"	69.938804
"1253841"	562.887385	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Br"	78.918885
"1315559"	564.943372	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Cl+HCOOH"	80.974872
"1331598"	586.925329	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Cl+NaCOOH"	102.956829
"923025"	596.954086	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M-H+CF3COOH"	112.985586
"1294266"	632.930764	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Cl+CF3COOH"	148.962264
"1376437"	448.955824	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H-2H2O"	-35.012676
"1389922"	466.9658	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H-H2O"	-17.0027
"286328"	968.944276	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+H"	1.007276
"679842"	1452.912776	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+H"	1.007276
"1360568"	484.975776	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H"	1.007276
"138562"	484.975776	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+2H"	2.014552
"570833"	726.960026	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+2H"	2.014552
"1041821"	242.991526	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2H"	2.014552
"209723"	323.652942666667	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+3H"	3.021828
"656939"	484.975776	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+3H"	3.021828
"1169595"	162.330109333333	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+3H"	3.021828
"437970"	985.970823	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+NH4"	18.033823
"798238"	1469.939323	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+NH4"	18.033823
"1693476"	502.002323	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+NH4"	18.033823
"342847"	493.4890495	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+H+NH4"	19.041099
"733084"	735.4732995	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+H+NH4"	19.041099
"1481435"	251.5047995	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H+NH4"	19.041099
"397927"	990.926218	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+Na"	22.989218
"757826"	1474.894718	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+Na"	22.989218
"1604831"	506.957718	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Na"	22.989218
"315231"	495.966747	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+H+Na"	23.996494
"707405"	737.950997	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+H+Na"	23.996494
"1462324"	253.982497	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H+Na"	23.996494
"1053504"	169.657423333333	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2H+Na"	25.00377
"1257858"	517.001986	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+CH3OH+H"	33.033486
"377888"	1006.900158	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+K"	38.963158
"740095"	1490.868658	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+K"	38.963158
"1541054"	522.931658	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+K"	38.963158
"299445"	503.953717	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+H+K"	39.970434
"691707"	745.937967	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+H+K"	39.970434
"1446540"	261.969467	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H+K"	39.970434
"236968"	1009.970826	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+ACN+H"	42.033826
"1211134"	526.002326	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+ACN+H"	42.033826
"1196475"	263.504801	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+ACN+2H"	43.041102
"189718"	1012.90816	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+2Na-H"	44.97116
"629516"	1496.87666	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+2Na-H"	44.97116
"1132663"	528.93966	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2Na-H"	44.97116
"173157"	506.957718	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+2Na"	45.978436
"613814"	748.941968	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+2Na"	45.978436
"1118782"	264.973468	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2Na"	45.978436
"1398538"	176.984737333333	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H+2Na"	46.985712
"1430774"	530.981246	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H+HCOOH"	47.012746
"220081"	511.99074	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+3H2O+2H"	56.04448
"1512184"	545.03329	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+IsoProp+H"	61.06479
"409685"	514.944688	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+Na+K"	61.952376
"770122"	756.928938	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+Na+K"	61.952376
"1671023"	272.960438	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Na+K"	61.952376
"253165"	1031.952768	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+ACN+Na"	64.015768
"1229154"	547.984268	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+ACN+Na"	64.015768
"1715124"	548.007793	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+NH4+HCOOH"	64.039293
"1182305"	184.312051333333	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+3Na"	68.967654
"1657667"	552.963188	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Na+HCOOH"	68.994688
"165624"	1044.85604	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+2K-H"	76.91904
"608467"	1528.82454	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+2K-H"	76.91904
"1091888"	560.88754	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2K-H"	76.91904
"154172"	522.931658	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"2M+2K"	77.926316
"595798"	764.915908	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"3M+2K"	77.926316
"1079338"	280.947408	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2K"	77.926316
"1110359"	562.902092	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2K+H"	78.933592
"1348929"	562.989707	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+DMSO+H"	79.021207
"1007626"	567.028876	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2ACN+H"	83.060376
"1532315"	568.022508	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+IsoProp+Na+H"	84.054008
"1001321"	284.018076	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+2ACN+2H"	84.067652
"1596551"	568.937128	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+K+HCOOH"	84.968628
"1418930"	598.968638	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+H+CF3COOH"	115.000138
"1152498"	304.531351	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+3ACN+2H"	125.094202
"1703147"	615.995185	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+NH4+CF3COOH"	132.026685
"1640985"	620.95058	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+Na+CF3COOH"	136.98208
"1585383"	636.92452	"C00075"	"UTP;Uridine 5-triphosphate;Uridine triphosphate"	"C9H15N2O15P3"	"483.9685"	"M+K+CF3COOH"	152.95602
"804083"	39.9626	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M"	0
"978343"	20.94421	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-H2O-H"	-19.01839
"67680"	25.6344573333333	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M-3H"	-3.021828
"508334"	38.955324	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M-3H"	-3.021828
"885043"	12.3135906666667	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-3H"	-3.021828
"2523"	38.955324	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M-2H"	-2.014552
"443176"	58.936624	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M-2H"	-2.014552
"825352"	18.974024	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-2H"	-2.014552
"82062"	78.917924	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M-H"	-1.007276
"523811"	118.880524	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M-H"	-1.007276
"895898"	38.955324	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-H"	-1.007276
"47965"	95.944471	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M-2H+NH4"	16.019271
"490080"	135.907071	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M-2H+NH4"	16.019271
"865810"	55.981871	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-2H+NH4"	16.019271
"33344"	100.899866	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M-2H+Na"	20.974666
"472061"	140.862466	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M-2H+Na"	20.974666
"848507"	60.937266	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-2H+Na"	20.974666
"1618554"	60.937266	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Na-2H"	20.974666
"104682"	56.943663	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M-H+Cl"	33.962126
"544246"	76.924963	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M-H+Cl"	33.962126
"937760"	36.962363	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-H+Cl"	33.962126
"276318"	114.894602	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+Cl"	34.969402
"667647"	154.857202	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+Cl"	34.969402
"1285516"	74.932002	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Cl"	34.969402
"28071"	116.873806	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M-2H+K"	36.948606
"464351"	156.836406	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M-2H+K"	36.948606
"845433"	76.911206	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-2H+K"	36.948606
"1565642"	76.911206	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+K-2H"	36.948606
"955711"	84.960794	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-H+HCOOH"	44.998194
"372833"	124.923401	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+HCOOH-H"	44.998201
"354532"	138.939051	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+Hac-H"	59.013851
"1503364"	98.976451	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Hac-H"	59.013851
"964348"	106.942751	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-H+NaCOOH"	66.980151
"114713"	74.932002	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+2Cl"	69.938804
"559374"	94.913302	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+2Cl"	69.938804
"1028176"	54.950702	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2Cl"	69.938804
"1252127"	118.881485	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Br"	78.918885
"1310201"	120.937472	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Cl+HCOOH"	80.974872
"1325144"	142.919429	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Cl+NaCOOH"	102.956829
"920948"	152.948186	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M-H+CF3COOH"	112.985586
"1295469"	188.924864	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Cl+CF3COOH"	148.962264
"1373631"	4.949924	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H-2H2O"	-35.012676
"1388939"	22.9599	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H-H2O"	-17.0027
"287531"	80.932476	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+H"	1.007276
"678859"	120.895076	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+H"	1.007276
"1357034"	40.969876	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H"	1.007276
"135392"	40.969876	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+2H"	2.014552
"573131"	60.951176	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+2H"	2.014552
"1037312"	20.988576	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2H"	2.014552
"205824"	27.6490093333333	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+3H"	3.021828
"655956"	40.969876	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+3H"	3.021828
"1166425"	14.3281426666667	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+3H"	3.021828
"431884"	97.959023	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+NH4"	18.033823
"797255"	137.921623	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+NH4"	18.033823
"1691402"	57.996423	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+NH4"	18.033823
"340772"	49.4831495	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+H+NH4"	19.041099
"728821"	69.4644495	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+H+NH4"	19.041099
"1481545"	29.5018495	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H+NH4"	19.041099
"398037"	102.914418	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+Na"	22.989218
"756843"	142.877018	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+Na"	22.989218
"1603969"	62.951818	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Na"	22.989218
"314266"	51.960847	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+H+Na"	23.996494
"707093"	71.942147	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+H+Na"	23.996494
"1461445"	31.979547	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H+Na"	23.996494
"1052912"	21.6554566666667	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2H+Na"	25.00377
"1257195"	72.996086	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+CH3OH+H"	33.033486
"377124"	118.888358	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+K"	38.963158
"738664"	158.850958	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+K"	38.963158
"1539939"	78.925758	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+K"	38.963158
"298617"	59.947817	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+H+K"	39.970434
"691388"	79.929117	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+H+K"	39.970434
"1445656"	39.966517	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H+K"	39.970434
"237079"	121.959026	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+ACN+H"	42.033826
"1211247"	81.996426	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+ACN+H"	42.033826
"1194763"	41.501851	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+ACN+2H"	43.041102
"190065"	124.89636	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+2Na-H"	44.97116
"630112"	164.85896	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+2Na-H"	44.97116
"1132652"	84.93376	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2Na-H"	44.97116
"173428"	62.951818	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+2Na"	45.978436
"613438"	82.933118	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+2Na"	45.978436
"1116338"	42.970518	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2Na"	45.978436
"1398634"	28.9827706666667	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H+2Na"	46.985712
"1431249"	86.975346	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H+HCOOH"	47.012746
"220164"	67.98484	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+3H2O+2H"	56.04448
"1512658"	101.02739	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+IsoProp+H"	61.06479
"410524"	70.938788	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+Na+K"	61.952376
"770258"	90.920088	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+Na+K"	61.952376
"1668946"	50.957488	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Na+K"	61.952376
"251731"	143.940968	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+ACN+Na"	64.015768
"1225861"	103.978368	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+ACN+Na"	64.015768
"1713042"	104.001893	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+NH4+HCOOH"	64.039293
"1179008"	36.3100846666667	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+3Na"	68.967654
"1652310"	108.957288	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Na+HCOOH"	68.994688
"163545"	156.84424	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+2K-H"	76.91904
"603106"	196.80684	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+2K-H"	76.91904
"1092362"	116.88164	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2K-H"	76.91904
"153188"	78.925758	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"2M+2K"	77.926316
"593842"	98.907058	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"3M+2K"	77.926316
"1080541"	58.944458	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2K"	77.926316
"1110469"	118.896192	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2K+H"	78.933592
"1350132"	118.983807	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+DMSO+H"	79.021207
"1007978"	123.022976	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2ACN+H"	83.060376
"1530237"	124.016608	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+IsoProp+Na+H"	84.054008
"1004229"	62.015126	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+2ACN+2H"	84.067652
"1602132"	124.931228	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+K+HCOOH"	84.968628
"1424508"	154.962738	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+H+CF3COOH"	115.000138
"1161356"	82.528401	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+3ACN+2H"	125.094202
"1705445"	171.989285	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+NH4+CF3COOH"	132.026685
"1641095"	176.94468	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+Na+CF3COOH"	136.98208
"1585493"	192.91862	"C00076"	"Calcium cation;Ca2;Calcium(2);Calcium ion"	"Ca"	"39.9626"	"M+K+CF3COOH"	152.95602
"806016"	132.0899	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M"	0
"976266"	113.07151	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H2O-H"	-19.01839
"64508"	87.0526573333333	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-3H"	-3.021828
"508443"	131.082624	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-3H"	-3.021828
"885152"	43.0226906666667	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-3H"	-3.021828
"525"	131.082624	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H"	-2.014552
"442194"	197.127574	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H"	-2.014552
"822182"	65.037674	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H"	-2.014552
"82172"	263.172524	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-H"	-1.007276
"518567"	395.262424	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-H"	-1.007276
"895837"	131.082624	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H"	-1.007276
"47465"	280.199071	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+NH4"	16.019271
"487629"	412.288971	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+NH4"	16.019271
"864702"	148.109171	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+NH4"	16.019271
"31671"	285.154466	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+Na"	20.974666
"471595"	417.244366	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+Na"	20.974666
"848505"	153.064566	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+Na"	20.974666
"1618483"	153.064566	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na-2H"	20.974666
"103699"	149.070963	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-H+Cl"	33.962126
"545085"	215.115913	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-H+Cl"	33.962126
"937870"	83.026013	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+Cl"	33.962126
"275335"	299.149202	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Cl"	34.969402
"666664"	431.239102	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Cl"	34.969402
"1285626"	167.059302	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl"	34.969402
"23809"	301.128406	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+K"	36.948606
"468836"	433.218306	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+K"	36.948606
"842993"	169.038506	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+K"	36.948606
"1569032"	169.038506	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K-2H"	36.948606
"956550"	177.088094	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+HCOOH"	44.998194
"369663"	309.178001	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+HCOOH-H"	44.998201
"354642"	323.193651	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Hac-H"	59.013851
"1503474"	191.103751	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Hac-H"	59.013851
"967738"	199.070051	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+NaCOOH"	66.980151
"118832"	167.059302	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Cl"	69.938804
"558391"	233.104252	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Cl"	69.938804
"1031566"	101.014352	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Cl"	69.938804
"1251144"	211.008785	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Br"	78.918885
"1311404"	213.064772	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+HCOOH"	80.974872
"1327075"	235.046729	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+NaCOOH"	102.956829
"918871"	245.075486	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+CF3COOH"	112.985586
"1294485"	281.052164	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+CF3COOH"	148.962264
"1373741"	97.077224	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H-2H2O"	-35.012676
"1386862"	115.0872	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H-H2O"	-17.0027
"288734"	265.187076	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H"	1.007276
"680062"	397.276976	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H"	1.007276
"1354228"	133.097176	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H"	1.007276
"133315"	133.097176	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2H"	2.014552
"572148"	199.142126	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2H"	2.014552
"1037664"	67.052226	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2H"	2.014552
"205569"	89.0672093333333	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+3H"	3.021828
"656066"	133.097176	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+3H"	3.021828
"1166535"	45.0372426666667	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3H"	3.021828
"431994"	282.213623	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+NH4"	18.033823
"796272"	414.303523	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+NH4"	18.033823
"1691512"	150.123723	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4"	18.033823
"341247"	141.6104495	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+NH4"	19.041099
"727108"	207.6553995	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+NH4"	19.041099
"1480561"	75.5654995	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+NH4"	19.041099
"399240"	287.169018	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Na"	22.989218
"756953"	419.258918	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Na"	22.989218
"1609425"	155.079118	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na"	22.989218
"314841"	144.088147	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+Na"	23.996494
"708359"	210.133097	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+Na"	23.996494
"1461562"	78.043197	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+Na"	23.996494
"1053637"	52.3645566666667	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2H+Na"	25.00377
"1258436"	165.123386	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+CH3OH+H"	33.033486
"377779"	303.142958	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+K"	38.963158
"740559"	435.232858	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+K"	38.963158
"1540544"	171.053058	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K"	38.963158
"299422"	152.075117	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+K"	39.970434
"691799"	218.120067	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+K"	39.970434
"1445734"	86.030167	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+K"	39.970434
"237918"	306.213626	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+ACN+H"	42.033826
"1211356"	174.123726	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+H"	42.033826
"1195603"	87.565501	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+2H"	43.041102
"189447"	309.15096	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Na-H"	44.97116
"629374"	441.24086	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Na-H"	44.97116
"1131992"	177.06106	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Na-H"	44.97116
"172894"	155.079118	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Na"	45.978436
"613187"	221.124068	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Na"	45.978436
"1115958"	89.034168	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Na"	45.978436
"1398474"	59.6918706666667	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+2Na"	46.985712
"1430629"	179.102646	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+HCOOH"	47.012746
"220052"	160.11214	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+3H2O+2H"	56.04448
"1512768"	193.15469	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+IsoProp+H"	61.06479
"411727"	163.066088	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Na+K"	61.952376
"770123"	229.111038	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Na+K"	61.952376
"1671243"	97.021138	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+K"	61.952376
"251609"	328.195568	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+ACN+Na"	64.015768
"1227918"	196.105668	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+Na"	64.015768
"1714980"	196.129193	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4+HCOOH"	64.039293
"1181430"	67.0191846666667	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3Na"	68.967654
"1651325"	201.084588	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+HCOOH"	68.994688
"157821"	341.09884	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2K-H"	76.91904
"603216"	473.18874	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2K-H"	76.91904
"1091379"	209.00894	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K-H"	76.91904
"147831"	171.053058	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2K"	77.926316
"588484"	237.098008	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2K"	77.926316
"1076277"	105.008108	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K"	77.926316
"1109486"	211.023492	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K+H"	78.933592
"1345868"	211.111107	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+DMSO+H"	79.021207
"1007846"	215.150276	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2ACN+H"	83.060376
"1533628"	216.143908	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+IsoProp+Na+H"	84.054008
"1004094"	108.078776	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2ACN+2H"	84.067652
"1601754"	217.058528	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K+HCOOH"	84.968628
"1424618"	247.090038	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+CF3COOH"	115.000138
"1159279"	128.592051	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3ACN+2H"	125.094202
"1705555"	264.116585	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4+CF3COOH"	132.026685
"1641205"	269.07198	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+CF3COOH"	136.98208
"1585603"	285.04592	"C00077"	"L-Ornithine;(S)-25-Diaminovaleric acid;(S)-25-Diaminopentanoic acid;(S)-25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K+CF3COOH"	152.95602
"806127"	204.0899	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M"	0
"976377"	185.07151	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H2O-H"	-19.01839
"67900"	135.052657333333	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-3H"	-3.021828
"508554"	203.082624	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-3H"	-3.021828
"884168"	67.0226906666667	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-3H"	-3.021828
"2744"	203.082624	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H"	-2.014552
"445585"	305.127574	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H"	-2.014552
"822292"	101.037674	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H"	-2.014552
"80096"	407.172524	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-H"	-1.007276
"519899"	611.262424	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-H"	-1.007276
"898551"	203.082624	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H"	-1.007276
"47578"	424.199071	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H+NH4"	16.019271
"487862"	628.288971	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H+NH4"	16.019271
"865055"	220.109171	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H+NH4"	16.019271
"31865"	429.154466	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H+Na"	20.974666
"471827"	633.244366	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H+Na"	20.974666
"848779"	225.064566	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H+Na"	20.974666
"1618884"	225.064566	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na-2H"	20.974666
"106361"	221.070963	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-H+Cl"	33.962126
"547990"	323.115913	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-H+Cl"	33.962126
"940655"	119.026013	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+Cl"	33.962126
"277632"	443.149202	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Cl"	34.969402
"667867"	647.239102	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+Cl"	34.969402
"1285371"	239.059302	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl"	34.969402
"27927"	445.128406	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H+K"	36.948606
"466394"	649.218306	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H+K"	36.948606
"844560"	241.038506	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H+K"	36.948606
"1565862"	241.038506	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K-2H"	36.948606
"953743"	249.088094	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+HCOOH"	44.998194
"368679"	453.178001	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+HCOOH-H"	44.998201
"350378"	467.193651	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Hac-H"	59.013851
"1502491"	263.103751	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Hac-H"	59.013851
"971859"	271.070051	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+NaCOOH"	66.980151
"117849"	239.059302	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2Cl"	69.938804
"561053"	341.104252	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2Cl"	69.938804
"1032406"	137.014352	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2Cl"	69.938804
"1250890"	283.008785	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Br"	78.918885
"1311515"	285.064772	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl+HCOOH"	80.974872
"1325731"	307.046729	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl+NaCOOH"	102.956829
"917888"	317.075486	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+CF3COOH"	112.985586
"1293500"	353.052164	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl+CF3COOH"	148.962264
"1372754"	169.077224	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H-2H2O"	-35.012676
"1386241"	187.0872	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H-H2O"	-17.0027
"286655"	409.187076	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H"	1.007276
"677981"	613.276976	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H"	1.007276
"1356524"	205.097176	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H"	1.007276
"133789"	205.097176	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2H"	2.014552
"572258"	307.142126	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2H"	2.014552
"1040694"	103.052226	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2H"	2.014552
"208960"	137.067209333333	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+3H"	3.021828
"649614"	205.097176	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+3H"	3.021828
"1166645"	69.0372426666667	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+3H"	3.021828
"426636"	426.213623	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+NH4"	18.033823
"796381"	630.303523	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+NH4"	18.033823
"1694899"	222.123723	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+NH4"	18.033823
"343544"	213.6104495	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H+NH4"	19.041099
"730134"	315.6553995	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H+NH4"	19.041099
"1481765"	111.5654995	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+NH4"	19.041099
"399350"	431.169018	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Na"	22.989218
"763623"	635.258918	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+Na"	22.989218
"1616340"	227.079118	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na"	22.989218
"319574"	216.088147	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H+Na"	23.996494
"718555"	318.133097	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H+Na"	23.996494
"1461762"	114.043197	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+Na"	23.996494
"1053470"	76.3645566666667	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2H+Na"	25.00377
"1258183"	237.123386	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+CH3OH+H"	33.033486
"377855"	447.142958	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+K"	38.963158
"740305"	651.232858	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+K"	38.963158
"1542358"	243.053058	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K"	38.963158
"299534"	224.075117	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H+K"	39.970434
"691951"	326.120067	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H+K"	39.970434
"1446267"	122.030167	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+K"	39.970434
"237664"	450.213626	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+ACN+H"	42.033826
"1211105"	246.123726	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+ACN+H"	42.033826
"1198633"	123.565501	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+ACN+2H"	43.041102
"190409"	453.15096	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2Na-H"	44.97116
"629037"	657.24086	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2Na-H"	44.97116
"1131658"	249.06106	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2Na-H"	44.97116
"173979"	227.079118	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2Na"	45.978436
"616335"	329.124068	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2Na"	45.978436
"1115786"	125.034168	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2Na"	45.978436
"1398561"	83.6918706666667	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+2Na"	46.985712
"1430295"	251.102646	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+HCOOH"	47.012746
"220009"	232.11214	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+3H2O+2H"	56.04448
"1515430"	265.15469	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+IsoProp+H"	61.06479
"411473"	235.066088	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Na+K"	61.952376
"770482"	337.111038	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+Na+K"	61.952376
"1671353"	133.021138	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na+K"	61.952376
"251437"	472.195568	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+ACN+Na"	64.015768
"1225640"	268.105668	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+ACN+Na"	64.015768
"1712950"	268.129193	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+NH4+HCOOH"	64.039293
"1179392"	91.0191846666667	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+3Na"	68.967654
"1651798"	273.084588	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na+HCOOH"	68.994688
"159025"	485.09884	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2K-H"	76.91904
"603326"	689.18874	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2K-H"	76.91904
"1091489"	281.00894	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2K-H"	76.91904
"150128"	243.053058	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2K"	77.926316
"588595"	345.098008	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2K"	77.926316
"1077481"	141.008108	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2K"	77.926316
"1109595"	283.023492	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2K+H"	78.933592
"1347072"	283.111107	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+DMSO+H"	79.021207
"1011238"	287.150276	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2ACN+H"	83.060376
"1529363"	288.143908	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+IsoProp+Na+H"	84.054008
"1004570"	144.078776	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2ACN+2H"	84.067652
"1601622"	289.058528	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K+HCOOH"	84.968628
"1428376"	319.090038	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+CF3COOH"	115.000138
"1162063"	164.592051	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+3ACN+2H"	125.094202
"1705665"	336.116585	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+NH4+CF3COOH"	132.026685
"1646783"	341.07198	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na+CF3COOH"	136.98208
"1585713"	357.04592	"C00078"	"L-Tryptophan;Tryptophan;(S)-alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K+CF3COOH"	152.95602
"807329"	165.079	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M"	0
"974430"	146.06061	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"63079"	109.045390666667	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"502872"	164.071724	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"880180"	54.0190573333333	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"1752"	164.071724	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"440097"	246.611224	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"817291"	81.532224	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"79595"	329.150724	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"518611"	494.229724	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"895983"	164.071724	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"49383"	346.177271	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"489675"	511.256271	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"865652"	181.098271	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"32095"	351.132666	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"472631"	516.211666	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"849826"	186.053666	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1619237"	186.053666	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"103919"	182.060063	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"544572"	264.599563	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"935898"	99.520563	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"274461"	365.127402	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"671620"	530.206402	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1285117"	200.048402	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"21843"	367.106606	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"463590"	532.185606	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"842484"	202.027606	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1562691"	202.027606	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"952761"	210.077194	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"369883"	375.156201	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"353768"	389.171851	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1501143"	224.092851	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"970508"	232.059151	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"120875"	200.048402	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"561528"	282.587902	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1034337"	117.508902	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1250999"	243.997885	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1313811"	246.053872	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1330214"	268.035829	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"917998"	278.064586	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1294703"	314.041264	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1375050"	130.066324	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1390359"	148.0763	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"288954"	331.165276	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"681375"	496.244276	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1355541"	166.086276	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"132807"	166.086276	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"569089"	248.625776	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1041169"	83.546776	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"206882"	111.059942666667	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"647538"	166.086276	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1163596"	56.0336093333333	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"425653"	348.191823	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"794304"	513.270823	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1694647"	183.112823	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"343287"	174.5995495	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"730244"	257.1390495	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1489529"	92.0600495	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"402741"	353.147218	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"763733"	518.226218	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1618407"	188.068218	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"321871"	177.077247	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"718665"	259.616747	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1463737"	94.537747	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1055889"	63.3609233333333	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1259754"	198.112486	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"380880"	369.121158	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"741146"	534.200158	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1542105"	204.042158	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"299282"	185.064217	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"693162"	267.603717	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1446373"	102.524717	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"237044"	372.191826	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1212308"	207.112826	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1196919"	104.060051	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"189792"	375.12916	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"630445"	540.20816	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1131962"	210.05016	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"173723"	188.068218	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"614255"	270.607718	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1115937"	105.528718	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1398848"	70.6882373333333	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1430728"	212.091746	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"221146"	193.10124	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1512260"	226.14379	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"410490"	196.055188	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"770144"	278.594688	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1668183"	113.515688	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"251595"	394.173768	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1226072"	229.094768	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1712827"	229.118293	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1179820"	78.0155513333333	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1650450"	234.073688	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"158771"	407.07704	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"602343"	572.15604	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1097069"	241.99804	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"152424"	204.042158	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"590890"	286.581658	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1077590"	121.502658	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1104238"	244.012592	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1343901"	244.100207	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1012441"	248.139376	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1528380"	249.133008	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"1005491"	124.573326	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1601004"	250.047628	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1429342"	280.079138	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1162537"	145.086601	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1706868"	297.105685	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1641425"	302.06108	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1585823"	318.03502	"C00079"	"L-Phenylalanine;(S)-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"807440"	1.0078	"C00080"	"H;Hydron"	"H"	"1.0078"	"M"	0
"976597"	-18.01059	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-H2O-H"	-19.01839
"63028"	-0.335409333333333	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M-3H"	-3.021828
"503668"	0.000523999999999969	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M-3H"	-3.021828
"882196"	-0.671342666666667	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-3H"	-3.021828
"2226"	0.000523999999999969	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M-2H"	-2.014552
"441181"	0.504424	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M-2H"	-2.014552
"818498"	-0.503376	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-2H"	-2.014552
"80677"	1.008324	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M-H"	-1.007276
"519876"	2.016124	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M-H"	-1.007276
"897309"	0.000523999999999969	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-H"	-1.007276
"52048"	18.034871	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M-2H+NH4"	16.019271
"490879"	19.042671	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M-2H+NH4"	16.019271
"865277"	17.027071	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-2H+NH4"	16.019271
"32573"	22.990266	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M-2H+Na"	20.974666
"472135"	23.998066	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M-2H+Na"	20.974666
"851520"	21.982466	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-2H+Na"	20.974666
"1620080"	21.982466	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Na-2H"	20.974666
"106217"	17.988863	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M-H+Cl"	33.962126
"547601"	18.492763	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M-H+Cl"	33.962126
"938562"	17.484963	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-H+Cl"	33.962126
"276758"	36.985002	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+Cl"	34.969402
"669543"	37.992802	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+Cl"	34.969402
"1284498"	35.977202	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Cl"	34.969402
"24140"	38.964206	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M-2H+K"	36.948606
"463700"	39.972006	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M-2H+K"	36.948606
"844417"	37.956406	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-2H+K"	36.948606
"1562801"	37.956406	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+K-2H"	36.948606
"954329"	46.005994	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-H+HCOOH"	44.998194
"371815"	47.013801	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+HCOOH-H"	44.998201
"351691"	61.029451	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+Hac-H"	59.013851
"1503075"	60.021651	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Hac-H"	59.013851
"969524"	67.987951	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-H+NaCOOH"	66.980151
"119891"	35.977202	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+2Cl"	69.938804
"562367"	36.481102	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+2Cl"	69.938804
"1033354"	35.473302	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2Cl"	69.938804
"1249286"	79.926685	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Br"	78.918885
"1312829"	81.982672	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Cl+HCOOH"	80.974872
"1328139"	103.964629	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Cl+NaCOOH"	102.956829
"917015"	113.993386	"C00080"	"H;Hydron"	"H"	"1.0078"	"M-H+CF3COOH"	112.985586
"1293722"	149.970064	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Cl+CF3COOH"	148.962264
"1372609"	-34.004876	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H-2H2O"	-35.012676
"1388284"	-15.9949	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H-H2O"	-17.0027
"286150"	3.022876	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+H"	1.007276
"683672"	4.030676	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+H"	1.007276
"1355284"	2.015076	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H"	1.007276
"136197"	2.015076	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+2H"	2.014552
"575761"	2.518976	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+2H"	2.014552
"1042372"	1.511176	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2H"	2.014552
"208450"	1.67914266666667	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+3H"	3.021828
"646918"	2.015076	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+3H"	3.021828
"1171239"	1.34320933333333	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+3H"	3.021828
"432325"	20.049423	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+NH4"	18.033823
"794413"	21.057223	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+NH4"	18.033823
"1692933"	19.041623	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+NH4"	18.033823
"343397"	10.5283495	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+H+NH4"	19.041099
"730353"	11.0322495	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+H+NH4"	19.041099
"1485266"	10.0244495	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H+NH4"	19.041099
"398478"	25.004818	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+Na"	22.989218
"760561"	26.012618	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+Na"	22.989218
"1618375"	23.997018	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Na"	22.989218
"321981"	13.006047	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+H+Na"	23.996494
"719868"	13.509947	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+H+Na"	23.996494
"1462881"	12.502147	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H+Na"	23.996494
"1054542"	8.67052333333333	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2H+Na"	25.00377
"1259866"	34.041286	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+CH3OH+H"	33.033486
"379898"	40.978758	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+K"	38.963158
"739919"	41.986558	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+K"	38.963158
"1542582"	39.970958	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+K"	38.963158
"300854"	20.993017	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+H+K"	39.970434
"694368"	21.496917	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+H+K"	39.970434
"1446610"	20.489117	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H+K"	39.970434
"240073"	44.049426	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+ACN+H"	42.033826
"1213876"	43.041626	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+ACN+H"	42.033826
"1197029"	22.024451	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+ACN+2H"	43.041102
"192818"	46.98676	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+2Na-H"	44.97116
"629827"	47.99456	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+2Na-H"	44.97116
"1131795"	45.97896	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2Na-H"	44.97116
"175171"	23.997018	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+2Na"	45.978436
"619836"	24.500918	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+2Na"	45.978436
"1117021"	23.493118	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2Na"	45.978436
"1399325"	15.9978373333333	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H+2Na"	46.985712
"1434608"	48.020546	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H+HCOOH"	47.012746
"220894"	29.03004	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+3H2O+2H"	56.04448
"1518930"	62.07259	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+IsoProp+H"	61.06479
"410600"	31.983988	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+Na+K"	61.952376
"771593"	32.487888	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+Na+K"	61.952376
"1666469"	31.480088	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Na+K"	61.952376
"252136"	66.031368	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+ACN+Na"	64.015768
"1227876"	65.023568	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+ACN+Na"	64.015768
"1714214"	65.047093	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+NH4+HCOOH"	64.039293
"1179328"	23.3251513333333	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+3Na"	68.967654
"1651653"	70.002488	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Na+HCOOH"	68.994688
"158759"	78.93464	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+2K-H"	76.91904
"603546"	79.94244	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+2K-H"	76.91904
"1088428"	77.92684	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2K-H"	76.91904
"143785"	39.970958	"C00080"	"H;Hydron"	"H"	"1.0078"	"2M+2K"	77.926316
"587719"	40.474858	"C00080"	"H;Hydron"	"H"	"1.0078"	"3M+2K"	77.926316
"1069802"	39.467058	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2K"	77.926316
"1104347"	79.941392	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2K+H"	78.933592
"1341822"	80.029007	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+DMSO+H"	79.021207
"1006227"	84.068176	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2ACN+H"	83.060376
"1524517"	85.061808	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+IsoProp+Na+H"	84.054008
"1005240"	42.537726	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+2ACN+2H"	84.067652
"1601843"	85.976428	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+K+HCOOH"	84.968628
"1428599"	116.007938	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+H+CF3COOH"	115.000138
"1162532"	63.051001	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+3ACN+2H"	125.094202
"1705885"	133.034485	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+NH4+CF3COOH"	132.026685
"1641535"	137.98988	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+Na+CF3COOH"	136.98208
"1576092"	153.96382	"C00080"	"H;Hydron"	"H"	"1.0078"	"M+K+CF3COOH"	152.95602
"809736"	507.9798	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M"	0
"975613"	488.96141	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-H2O-H"	-19.01839
"63976"	337.645924	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M-3H"	-3.021828
"504019"	506.972524	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M-3H"	-3.021828
"882668"	168.319324	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-3H"	-3.021828
"2702"	506.972524	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M-2H"	-2.014552
"442261"	760.962424	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M-2H"	-2.014552
"818972"	252.982624	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-2H"	-2.014552
"84797"	1014.952324	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M-H"	-1.007276
"521803"	1522.932124	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M-H"	-1.007276
"898148"	506.972524	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-H"	-1.007276
"53253"	1031.978871	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M-2H+NH4"	16.019271
"490627"	1539.958671	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M-2H+NH4"	16.019271
"864783"	523.999071	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-2H+NH4"	16.019271
"33049"	1036.934266	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M-2H+Na"	20.974666
"473705"	1544.914066	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M-2H+Na"	20.974666
"850777"	528.954466	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-2H+Na"	20.974666
"1619583"	528.954466	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Na-2H"	20.974666
"104868"	524.960863	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M-H+Cl"	33.962126
"546981"	778.950763	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M-H+Cl"	33.962126
"938308"	270.970963	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-H+Cl"	33.962126
"271401"	1050.929002	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+Cl"	34.969402
"667101"	1558.908802	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+Cl"	34.969402
"1284607"	542.949202	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Cl"	34.969402
"24250"	1052.908206	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M-2H+K"	36.948606
"463809"	1560.888006	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M-2H+K"	36.948606
"844891"	544.928406	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-2H+K"	36.948606
"1562911"	544.928406	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+K-2H"	36.948606
"952616"	552.977994	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-H+HCOOH"	44.998194
"371925"	1060.957801	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+HCOOH-H"	44.998201
"350708"	1074.973451	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+Hac-H"	59.013851
"1504279"	566.993651	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Hac-H"	59.013851
"969269"	574.959951	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-H+NaCOOH"	66.980151
"119272"	542.949202	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+2Cl"	69.938804
"559926"	796.939102	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+2Cl"	69.938804
"1036016"	288.959302	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2Cl"	69.938804
"1255230"	586.898685	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Br"	78.918885
"1315126"	588.954672	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Cl+HCOOH"	80.974872
"1330435"	610.936629	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Cl+NaCOOH"	102.956829
"917125"	620.965386	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M-H+CF3COOH"	112.985586
"1294925"	656.942064	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Cl+CF3COOH"	148.962264
"1371626"	472.967124	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H-2H2O"	-35.012676
"1388396"	490.9771	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H-H2O"	-17.0027
"288083"	1016.966876	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+H"	1.007276
"686699"	1524.946676	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+H"	1.007276
"1356853"	508.987076	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H"	1.007276
"138494"	508.987076	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+2H"	2.014552
"572591"	762.976976	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+2H"	2.014552
"1044669"	254.997176	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2H"	2.014552
"207466"	339.660476	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+3H"	3.021828
"648485"	508.987076	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+3H"	3.021828
"1165882"	170.333876	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+3H"	3.021828
"432437"	1033.993423	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+NH4"	18.033823
"797805"	1541.973223	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+NH4"	18.033823
"1693041"	526.013623	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+NH4"	18.033823
"342415"	517.5003495	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+H+NH4"	19.041099
"728273"	771.4902495	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+H+NH4"	19.041099
"1485374"	263.5104495	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H+NH4"	19.041099
"401867"	1038.948818	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+Na"	22.989218
"766140"	1546.928618	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+Na"	22.989218
"1618088"	530.969018	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Na"	22.989218
"318811"	519.978047	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+H+Na"	23.996494
"714511"	773.967947	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+H+Na"	23.996494
"1463234"	265.988147	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H+Na"	23.996494
"1054042"	177.66119	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2H+Na"	25.00377
"1258153"	541.013286	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+CH3OH+H"	33.033486
"378185"	1054.922758	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+K"	38.963158
"739543"	1562.902558	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+K"	38.963158
"1543422"	546.942958	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+K"	38.963158
"303151"	527.965017	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+H+K"	39.970434
"694479"	781.954917	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+H+K"	39.970434
"1447572"	273.975117	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H+K"	39.970434
"240183"	1057.993426	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+ACN+H"	42.033826
"1213987"	550.013626	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+ACN+H"	42.033826
"1196411"	275.510451	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+ACN+2H"	43.041102
"191105"	1060.93076	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+2Na-H"	44.97116
"628965"	1568.91056	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+2Na-H"	44.97116
"1133812"	552.95096	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2Na-H"	44.97116
"174309"	530.969018	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+2Na"	45.978436
"618123"	784.958918	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+2Na"	45.978436
"1117253"	276.979118	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2Na"	45.978436
"1399436"	184.988504	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H+2Na"	46.985712
"1432529"	554.992546	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H+HCOOH"	47.012746
"220438"	536.00204	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+3H2O+2H"	56.04448
"1517947"	569.04459	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+IsoProp+H"	61.06479
"409980"	538.955988	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+Na+K"	61.952376
"770973"	792.945888	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+Na+K"	61.952376
"1667307"	284.966088	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Na+K"	61.952376
"251881"	1079.975368	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+ACN+Na"	64.015768
"1227017"	571.995568	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+ACN+Na"	64.015768
"1713595"	572.019093	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+NH4+HCOOH"	64.039293
"1179195"	192.315818	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+3Na"	68.967654
"1651764"	576.974488	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Na+HCOOH"	68.994688
"160815"	1092.87864	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+2K-H"	76.91904
"600376"	1600.85844	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+2K-H"	76.91904
"1089267"	584.89884	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2K-H"	76.91904
"143893"	546.942958	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"2M+2K"	77.926316
"587829"	800.932858	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"3M+2K"	77.926316
"1070277"	292.953058	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2K"	77.926316
"1104457"	586.913392	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2K+H"	78.933592
"1340838"	587.001007	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+DMSO+H"	79.021207
"1006824"	591.040176	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2ACN+H"	83.060376
"1527507"	592.033808	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+IsoProp+Na+H"	84.054008
"993953"	296.023726	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+2ACN+2H"	84.067652
"1601955"	592.948428	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+K+HCOOH"	84.968628
"1429436"	622.979938	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+H+CF3COOH"	115.000138
"1161907"	316.537001	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+3ACN+2H"	125.094202
"1705995"	640.006485	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+NH4+CF3COOH"	132.026685
"1641645"	644.96188	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+Na+CF3COOH"	136.98208
"1576202"	660.93582	"C00081"	"ITP;Inosine 5-triphosphate;Inosine triphosphate;Inosine tripolyphosphate"	"C10H15N4O14P3"	"507.9798"	"M+K+CF3COOH"	152.95602
"806566"	181.0739	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M"	0
"976815"	162.05551	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"64693"	119.708657333333	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"504250"	180.066624	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"882780"	59.3506906666667	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"2449"	180.066624	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"442008"	270.603574	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"820540"	89.529674	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"82721"	361.140524	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"523006"	542.214424	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"898988"	180.066624	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"51540"	378.167071	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"491828"	559.240971	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"864412"	197.093171	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"32795"	383.122466	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"473815"	564.196366	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"851616"	202.048566	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1620059"	202.048566	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"102061"	198.054963	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"545632"	288.591913	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"936230"	107.518013	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"276974"	397.117202	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"669396"	578.191102	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1283258"	216.043302	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"28366"	399.096406	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"465012"	580.170306	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"841721"	218.022506	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1560833"	218.022506	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"950901"	226.072094	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"370211"	407.146001	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"350814"	421.161651	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1500009"	240.087751	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"965004"	248.054051	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"118289"	216.043302	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"561857"	306.580252	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1031020"	125.506352	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1253881"	259.992785	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1315236"	262.048772	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1325078"	284.030729	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"917235"	294.059486	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1292849"	330.036164	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1370279"	146.061224	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1388506"	164.0712	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"288193"	363.155076	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"687174"	544.228976	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1354773"	182.081176	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"136417"	182.081176	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"570514"	272.618126	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1040406"	91.544226	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"206847"	121.723209333333	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"647138"	182.081176	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1165992"	61.3652426666667	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"432547"	380.181623	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"797915"	561.255523	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1694244"	199.107723	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"342525"	190.5944495	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"731663"	281.1313995	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1485484"	100.0574995	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"398697"	385.137018	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"766250"	566.210918	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1617510"	204.063118	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"317097"	193.072147	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"714621"	283.609097	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1461883"	102.535197	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1053667"	68.6925566666667	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1257897"	214.107386	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"377687"	401.110958	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"739410"	582.184858	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1542438"	220.037058	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"305447"	201.059117	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"697869"	291.596067	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1445938"	110.522167	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"239200"	404.181626	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1211908"	223.107726	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1195063"	112.057501	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"189759"	407.11896	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"629193"	588.19286	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1131382"	226.04506	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"172857"	204.063118	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"618597"	294.600068	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1118093"	113.526168	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1399428"	76.0198706666667	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1431545"	228.086646	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"220035"	209.09614	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1515870"	242.13869	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"411913"	212.050088	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"773270"	302.587038	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1667296"	121.513138	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"252478"	426.163568	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1226279"	245.089668	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1715533"	245.113193	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1185261"	83.3471846666667	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1652967"	250.068588	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"162018"	439.06684	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"601577"	620.14074	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1090464"	257.99294	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"145458"	220.037058	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"585752"	310.574008	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1071359"	129.500108	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1104567"	260.007492	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1344228"	260.095107	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1006934"	264.134276	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1525915"	265.127908	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"994063"	132.570776	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1602429"	266.042528	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1428818"	296.074038	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1159830"	153.084051	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1707199"	313.100585	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1641755"	318.05598	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1576312"	334.02992	"C00082"	"L-Tyrosine;(S)-3-(p-Hydroxyphenyl)alanine;(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid;Tyrosine"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"806676"	853.1156	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M"	0
"974740"	834.09721	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-H2O-H"	-19.01839
"63021"	567.736457333333	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M-3H"	-3.021828
"504727"	852.108324	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M-3H"	-3.021828
"880826"	283.364590666667	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-3H"	-3.021828
"2561"	852.108324	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M-2H"	-2.014552
"440908"	1278.666124	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M-2H"	-2.014552
"818464"	425.550524	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-2H"	-2.014552
"82831"	1705.223924	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M-H"	-1.007276
"524575"	2558.339524	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M-H"	-1.007276
"899097"	852.108324	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-H"	-1.007276
"48247"	1722.250471	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M-2H+NH4"	16.019271
"488780"	2575.366071	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M-2H+NH4"	16.019271
"864639"	869.134871	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-2H+NH4"	16.019271
"31680"	1727.205866	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M-2H+Na"	20.974666
"471860"	2580.321466	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M-2H+Na"	20.974666
"850634"	874.090266	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-2H+Na"	20.974666
"1619561"	874.090266	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Na-2H"	20.974666
"99984"	870.096663	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M-H+Cl"	33.962126
"545013"	1296.654463	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M-H+Cl"	33.962126
"935247"	443.538863	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-H+Cl"	33.962126
"276720"	1741.200602	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+Cl"	34.969402
"672057"	2594.316202	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+Cl"	34.969402
"1284095"	888.085002	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Cl"	34.969402
"30791"	1743.179806	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M-2H+K"	36.948606
"470839"	2596.295406	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M-2H+K"	36.948606
"845108"	890.064206	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-2H+K"	36.948606
"1565314"	890.064206	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+K-2H"	36.948606
"952105"	898.113794	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-H+HCOOH"	44.998194
"373237"	1751.229401	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+HCOOH-H"	44.998201
"350196"	1765.245051	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+Hac-H"	59.013851
"1500119"	912.129451	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Hac-H"	59.013851
"963291"	920.095751	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-H+NaCOOH"	66.980151
"120585"	888.085002	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+2Cl"	69.938804
"558686"	1314.642802	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+2Cl"	69.938804
"1031131"	461.527202	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2Cl"	69.938804
"1251803"	932.034485	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Br"	78.918885
"1312066"	934.090472	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Cl+HCOOH"	80.974872
"1327374"	956.072429	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Cl+NaCOOH"	102.956829
"917345"	966.101186	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M-H+CF3COOH"	112.985586
"1294052"	1002.077864	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Cl+CF3COOH"	148.962264
"1373305"	818.102924	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H-2H2O"	-35.012676
"1388616"	836.1129	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H-H2O"	-17.0027
"288303"	1707.238476	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+H"	1.007276
"689836"	2560.354076	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+H"	1.007276
"1355248"	854.122876	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H"	1.007276
"136527"	854.122876	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+2H"	2.014552
"569531"	1280.680676	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+2H"	2.014552
"1041609"	427.565076	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2H"	2.014552
"207686"	569.751009333333	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+3H"	3.021828
"649070"	854.122876	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+3H"	3.021828
"1163913"	285.379142666667	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+3H"	3.021828
"428282"	1724.265023	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+NH4"	18.033823
"794745"	2577.380623	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+NH4"	18.033823
"1692168"	871.149423	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+NH4"	18.033823
"340449"	862.6361495	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+H+NH4"	19.041099
"733960"	1289.1939495	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+H+NH4"	19.041099
"1483407"	436.0783495	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H+NH4"	19.041099
"396620"	1729.220418	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+Na"	22.989218
"766360"	2582.336018	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+Na"	22.989218
"1615188"	876.104818	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Na"	22.989218
"317936"	865.113847	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+H+Na"	23.996494
"713637"	1291.671647	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+H+Na"	23.996494
"1463814"	438.556047	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H+Na"	23.996494
"1054145"	292.706456666667	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2H+Na"	25.00377
"1258739"	886.149086	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+CH3OH+H"	33.033486
"378407"	1745.194358	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+K"	38.963158
"739400"	2598.309958	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+K"	38.963158
"1542183"	892.078758	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+K"	38.963158
"305557"	873.100817	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+H+K"	39.970434
"697979"	1299.658617	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+H+K"	39.970434
"1446816"	446.543017	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H+K"	39.970434
"239310"	1748.265026	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+ACN+H"	42.033826
"1212019"	895.149426	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+ACN+H"	42.033826
"1196997"	448.078351	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+ACN+2H"	43.041102
"190962"	1751.20236	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+2Na-H"	44.97116
"631617"	2604.31796	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+2Na-H"	44.97116
"1134396"	898.08676	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2Na-H"	44.97116
"176959"	876.104818	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+2Na"	45.978436
"617250"	1302.662618	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+2Na"	45.978436
"1116501"	449.547018	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2Na"	45.978436
"1401360"	300.033770666667	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H+2Na"	46.985712
"1433478"	900.128346	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H+HCOOH"	47.012746
"220862"	881.13784	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+3H2O+2H"	56.04448
"1509049"	914.18039	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+IsoProp+H"	61.06479
"412384"	884.091788	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+Na+K"	61.952376
"773016"	1310.649588	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+Na+K"	61.952376
"1667528"	457.533988	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Na+K"	61.952376
"252587"	1770.246968	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+ACN+Na"	64.015768
"1226754"	917.131368	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+ACN+Na"	64.015768
"1714910"	917.154893	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+NH4+HCOOH"	64.039293
"1180998"	307.361084666667	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+3Na"	68.967654
"1654536"	922.110288	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Na+HCOOH"	68.994688
"161397"	1783.15024	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+2K-H"	76.91904
"599013"	2636.26584	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+2K-H"	76.91904
"1087658"	930.03464	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2K-H"	76.91904
"143138"	892.078758	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"2M+2K"	77.926316
"585862"	1318.636558	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"3M+2K"	77.926316
"1071469"	465.520958	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2K"	77.926316
"1103583"	932.049192	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2K+H"	78.933592
"1341062"	932.136807	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+DMSO+H"	79.021207
"1005781"	936.175976	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2ACN+H"	83.060376
"1528819"	937.169608	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+IsoProp+Na+H"	84.054008
"991253"	468.591626	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+2ACN+2H"	84.067652
"1602662"	938.084228	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+K+HCOOH"	84.968628
"1427467"	968.115738	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+H+CF3COOH"	115.000138
"1157753"	489.104901	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+3ACN+2H"	125.094202
"1707308"	985.142285	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+NH4+CF3COOH"	132.026685
"1638585"	990.09768	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+Na+CF3COOH"	136.98208
"1576422"	1006.07162	"C00083"	"Malonyl-CoA;Malonyl coenzyme A"	"C24H38N7O19P3S"	"853.1156"	"M+K+CF3COOH"	152.95602
"806786"	44.0262	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M"	0
"977036"	25.00781	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-H2O-H"	-19.01839
"68558"	28.343524	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M-3H"	-3.021828
"505930"	43.018924	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M-3H"	-3.021828
"887013"	13.668124	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-3H"	-3.021828
"2304"	43.018924	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M-2H"	-2.014552
"442963"	65.032024	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M-2H"	-2.014552
"818940"	21.005824	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-2H"	-2.014552
"84034"	87.045124	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M-H"	-1.007276
"522498"	131.071324	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M-H"	-1.007276
"898118"	43.018924	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-H"	-1.007276
"51398"	104.071671	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M-2H+NH4"	16.019271
"488162"	148.097871	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M-2H+NH4"	16.019271
"865110"	60.045471	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-2H+NH4"	16.019271
"31718"	109.027066	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M-2H+Na"	20.974666
"474039"	153.053266	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M-2H+Na"	20.974666
"850747"	65.000866	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-2H+Na"	20.974666
"1619188"	65.000866	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Na-2H"	20.974666
"106291"	61.007263	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M-H+Cl"	33.962126
"547918"	83.020363	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M-H+Cl"	33.962126
"941801"	38.994163	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-H+Cl"	33.962126
"281083"	123.021802	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+Cl"	34.969402
"674234"	167.048002	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+Cl"	34.969402
"1287008"	78.995602	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Cl"	34.969402
"31187"	125.001006	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M-2H+K"	36.948606
"470706"	169.027206	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M-2H+K"	36.948606
"846677"	80.974806	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-2H+K"	36.948606
"1566520"	80.974806	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+K-2H"	36.948606
"951123"	89.024394	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-H+HCOOH"	44.998194
"371524"	133.050601	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+HCOOH-H"	44.998201
"353220"	147.066251	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+Hac-H"	59.013851
"1499866"	103.040051	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Hac-H"	59.013851
"965224"	111.006351	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-H+NaCOOH"	66.980151
"119966"	78.995602	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+2Cl"	69.938804
"558067"	101.008702	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+2Cl"	69.938804
"1034157"	56.982502	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2Cl"	69.938804
"1254465"	122.945085	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Br"	78.918885
"1316549"	125.001072	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Cl+HCOOH"	80.974872
"1328579"	146.983029	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Cl+NaCOOH"	102.956829
"917455"	157.011786	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M-H+CF3COOH"	112.985586
"1295256"	192.988464	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Cl+CF3COOH"	148.962264
"1374508"	9.013524	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H-2H2O"	-35.012676
"1393099"	27.0235	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H-H2O"	-17.0027
"294973"	89.059676	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+H"	1.007276
"686302"	133.085876	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+H"	1.007276
"1361555"	45.033476	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H"	1.007276
"130076"	45.033476	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+2H"	2.014552
"572918"	67.046576	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+2H"	2.014552
"1046092"	23.020376	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2H"	2.014552
"208526"	30.358076	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+3H"	3.021828
"655740"	45.033476	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+3H"	3.021828
"1168397"	15.682676	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+3H"	3.021828
"433859"	106.086223	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+NH4"	18.033823
"800931"	150.112423	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+NH4"	18.033823
"1695558"	62.060023	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+NH4"	18.033823
"342381"	53.5467495	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+H+NH4"	19.041099
"732977"	75.5598495	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+H+NH4"	19.041099
"1482424"	31.5336495	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H+NH4"	19.041099
"402197"	111.041618	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+Na"	22.989218
"765377"	155.067818	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+Na"	22.989218
"1615663"	67.015418	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Na"	22.989218
"324606"	56.024447	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+H+Na"	23.996494
"714841"	78.037547	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+H+Na"	23.996494
"1465017"	34.011347	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H+Na"	23.996494
"1055712"	23.00999	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2H+Na"	25.00377
"1260307"	77.059686	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+CH3OH+H"	33.033486
"379974"	127.015558	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+K"	38.963158
"739997"	171.041758	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+K"	38.963158
"1541562"	82.989358	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+K"	38.963158
"304574"	64.011417	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+H+K"	39.970434
"695902"	86.024517	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+H+K"	39.970434
"1446562"	41.998317	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H+K"	39.970434
"239419"	130.086226	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+ACN+H"	42.033826
"1211157"	86.060026	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+ACN+H"	42.033826
"1197108"	43.533651	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+ACN+2H"	43.041102
"189978"	133.02356	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+2Na-H"	44.97116
"630023"	177.04976	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+2Na-H"	44.97116
"1133767"	88.99736	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2Na-H"	44.97116
"178894"	67.015418	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+2Na"	45.978436
"619185"	89.028518	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+2Na"	45.978436
"1121597"	45.002318	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2Na"	45.978436
"1405118"	30.337304	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H+2Na"	46.985712
"1434682"	91.038946	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H+HCOOH"	47.012746
"220442"	72.04844	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+3H2O+2H"	56.04448
"1509280"	105.09099	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+IsoProp+H"	61.06479
"412130"	75.002388	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+Na+K"	61.952376
"773491"	97.015488	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+Na+K"	61.952376
"1668729"	52.989288	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Na+K"	61.952376
"253426"	152.068168	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+ACN+Na"	64.015768
"1226742"	108.041968	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+ACN+Na"	64.015768
"1716119"	108.065493	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+NH4+HCOOH"	64.039293
"1183296"	37.664618	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+3Na"	68.967654
"1651364"	113.020888	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Na+HCOOH"	68.994688
"160414"	164.97144	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+2K-H"	76.91904
"598273"	208.99764	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+2K-H"	76.91904
"1089591"	120.94524	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2K-H"	76.91904
"145319"	82.989358	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"2M+2K"	77.926316
"589253"	105.002458	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"3M+2K"	77.926316
"1075954"	60.976258	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2K"	77.926316
"1104788"	122.959792	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2K+H"	78.933592
"1341172"	123.047407	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+DMSO+H"	79.021207
"1006669"	127.086576	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2ACN+H"	83.060376
"1526864"	128.080208	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+IsoProp+Na+H"	84.054008
"993187"	64.046926	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+2ACN+2H"	84.067652
"1597543"	128.994828	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+K+HCOOH"	84.968628
"1425388"	159.026338	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+H+CF3COOH"	115.000138
"1155676"	84.560201	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+3ACN+2H"	125.094202
"1704138"	176.052885	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+NH4+CF3COOH"	132.026685
"1641975"	181.00828	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+Na+CF3COOH"	136.98208
"1576532"	196.98222	"C00084"	"Acetaldehyde;Ethanal"	"C2H4O"	"44.0262"	"M+K+CF3COOH"	152.95602
"806896"	260.0297	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M"	0
"976174"	241.01131	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"64294"	172.345857333333	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"504581"	259.022424	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"881168"	85.6692906666667	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"1809"	259.022424	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"441614"	389.037274	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"817832"	129.007574	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"81957"	519.052124	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"520786"	779.081824	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"901508"	259.022424	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"48712"	536.078671	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"489366"	796.108371	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"864736"	276.048971	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"31559"	541.034066	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"473056"	801.063766	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"850126"	281.004366	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1620390"	281.004366	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"106401"	277.010763	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"547056"	407.025613	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"942154"	146.995913	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"282169"	555.028802	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"674465"	815.058502	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1287855"	294.999102	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"30852"	557.008006	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"470937"	817.037706	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"847879"	296.978306	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1569547"	296.978306	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"954513"	305.027894	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"373458"	565.057601	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"356612"	579.073251	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1501071"	319.043551	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"965334"	327.009851	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"118618"	294.999102	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"555991"	425.013952	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1034267"	164.984252	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1254575"	338.948585	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1317997"	341.004572	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1333062"	362.986529	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"918658"	373.015286	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1296458"	408.991964	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1377899"	225.017024	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1396491"	243.027	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"288523"	521.066676	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"683133"	781.096376	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1356197"	261.036976	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"132368"	261.036976	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"570839"	391.051826	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1047296"	131.022126	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"214102"	174.360409333333	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"651475"	261.036976	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1170694"	87.6838426666667	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"432873"	538.093223	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"791682"	798.122923	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1691295"	278.063523	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"339573"	269.5502495	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"735274"	399.5650995	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1485813"	139.5353995	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"394651"	543.048618	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"764393"	803.078318	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1617960"	283.018918	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"323624"	272.027947	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"714951"	402.042797	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1463426"	142.013097	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1056186"	95.0111566666667	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1259322"	293.063186	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"378990"	559.022558	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"741082"	819.052258	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1543134"	298.992858	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"303591"	280.014917	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"694189"	410.029767	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1449836"	150.000067	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"239532"	562.093226	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1211390"	302.063526	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1199407"	151.535401	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"191549"	565.03056	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"631110"	825.06026	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1131935"	305.00086	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"180824"	283.018918	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"620385"	413.033768	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1123893"	153.004068	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1403405"	102.338470666667	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1431387"	307.042446	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"220840"	288.05194	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1514009"	321.09449	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"411147"	291.005888	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"771777"	421.020738	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1668109"	160.991038	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"252808"	584.075168	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1229162"	324.045468	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1716229"	324.068993	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1183406"	109.665784666667	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1651840"	329.024388	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"161618"	596.97844	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"600085"	857.00814	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1089336"	336.94874	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"145429"	298.992858	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"589363"	429.007708	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1076064"	168.978008	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1107085"	338.963292	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1341283"	339.050907	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1006291"	343.090076	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1527944"	344.083708	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"992204"	172.048676	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1588165"	344.998328	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1424405"	375.029838	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1155786"	192.561951	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1704248"	392.056385	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1642085"	397.01178	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1576642"	412.98572	"C00085"	"D-Fructose 6-phosphate;D-Fructose 6-phosphoric acid;Neuberg ester"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"810287"	60.0324	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M"	0
"977259"	41.01401	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-H2O-H"	-19.01839
"66957"	39.014324	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M-3H"	-3.021828
"509432"	59.025124	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M-3H"	-3.021828
"889420"	19.003524	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-3H"	-3.021828
"7997"	59.025124	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M-2H"	-2.014552
"450837"	89.041324	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M-2H"	-2.014552
"827545"	29.008924	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-2H"	-2.014552
"90455"	119.057524	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M-H"	-1.007276
"528922"	179.089924	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M-H"	-1.007276
"904904"	59.025124	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-H"	-1.007276
"53808"	136.084071	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M-2H+NH4"	16.019271
"495557"	196.116471	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M-2H+NH4"	16.019271
"868982"	76.051671	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-2H+NH4"	16.019271
"36886"	141.039466	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M-2H+Na"	20.974666
"474258"	201.071866	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M-2H+Na"	20.974666
"852060"	81.007066	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-2H+Na"	20.974666
"1621596"	81.007066	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Na-2H"	20.974666
"106511"	77.013463	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M-H+Cl"	33.962126
"549843"	107.029663	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M-H+Cl"	33.962126
"942148"	46.997263	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-H+Cl"	33.962126
"282605"	155.034202	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+Cl"	34.969402
"675351"	215.066602	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+Cl"	34.969402
"1288200"	95.001802	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Cl"	34.969402
"30752"	157.013406	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M-2H+K"	36.948606
"468005"	217.045806	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M-2H+K"	36.948606
"845809"	96.981006	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-2H+K"	36.948606
"1566743"	96.981006	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+K-2H"	36.948606
"954264"	105.030594	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-H+HCOOH"	44.998194
"373209"	165.063001	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+HCOOH-H"	44.998201
"358549"	179.078651	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+Hac-H"	59.013851
"1503372"	119.046251	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Hac-H"	59.013851
"967267"	127.012551	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-H+NaCOOH"	66.980151
"119822"	95.001802	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+2Cl"	69.938804
"562663"	125.018002	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+2Cl"	69.938804
"1035352"	64.985602	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2Cl"	69.938804
"1255418"	138.951285	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Br"	78.918885
"1313490"	141.007272	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Cl+HCOOH"	80.974872
"1328800"	162.989229	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Cl+NaCOOH"	102.956829
"917675"	173.017986	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M-H+CF3COOH"	112.985586
"1295476"	208.994664	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Cl+CF3COOH"	148.962264
"1379107"	25.019724	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H-2H2O"	-35.012676
"1394416"	43.0297	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H-H2O"	-17.0027
"293009"	121.072076	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+H"	1.007276
"688711"	181.104476	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+H"	1.007276
"1360684"	61.039676	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H"	1.007276
"131387"	61.039676	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+2H"	2.014552
"575324"	91.055876	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+2H"	2.014552
"1046312"	31.023476	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2H"	2.014552
"212025"	41.028876	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+3H"	3.021828
"653774"	61.039676	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+3H"	3.021828
"1174085"	21.018076	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+3H"	3.021828
"428610"	138.098623	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+NH4"	18.033823
"789241"	198.131023	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+NH4"	18.033823
"1688125"	78.066223	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+NH4"	18.033823
"337497"	69.5529495	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+H+NH4"	19.041099
"731011"	99.5691495	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+H+NH4"	19.041099
"1483373"	39.5367495	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H+NH4"	19.041099
"395127"	143.054018	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+Na"	22.989218
"761226"	203.086418	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+Na"	22.989218
"1606408"	83.021618	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Na"	22.989218
"318629"	72.030647	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+H+Na"	23.996494
"712875"	102.046847	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+H+Na"	23.996494
"1463293"	42.014447	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H+Na"	23.996494
"1057025"	28.34539	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2H+Na"	25.00377
"1260161"	93.065886	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+CH3OH+H"	33.033486
"379102"	159.027958	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+K"	38.963158
"740462"	219.060358	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+K"	38.963158
"1541055"	98.995558	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+K"	38.963158
"299327"	80.017617	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+H+K"	39.970434
"693936"	110.033817	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+H+K"	39.970434
"1452134"	50.001417	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H+K"	39.970434
"237455"	162.098626	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+ACN+H"	42.033826
"1212353"	102.066226	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+ACN+H"	42.033826
"1205717"	51.536751	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+ACN+2H"	43.041102
"194941"	165.03596	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+2Na-H"	44.97116
"635959"	225.06836	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+2Na-H"	44.97116
"1142019"	105.00356	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2Na-H"	44.97116
"176559"	83.021618	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+2Na"	45.978436
"621588"	113.037818	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+2Na"	45.978436
"1126189"	53.005418	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2Na"	45.978436
"1402421"	35.672704	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H+2Na"	46.985712
"1435266"	107.045146	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H+HCOOH"	47.012746
"221680"	88.05464	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+3H2O+2H"	56.04448
"1511931"	121.09719	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+IsoProp+H"	61.06479
"411620"	91.008588	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+Na+K"	61.952376
"771887"	121.024788	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+Na+K"	61.952376
"1667126"	60.992388	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Na+K"	61.952376
"253283"	184.080568	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+ACN+Na"	64.015768
"1227450"	124.048168	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+ACN+Na"	64.015768
"1722536"	124.071693	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+NH4+HCOOH"	64.039293
"1188984"	43.000018	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+3Na"	68.967654
"1664712"	129.027088	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Na+HCOOH"	68.994688
"170114"	196.98384	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+2K-H"	76.91904
"604207"	257.01624	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+2K-H"	76.91904
"1097467"	136.95144	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2K-H"	76.91904
"146629"	98.995558	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"2M+2K"	77.926316
"588379"	129.011758	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"3M+2K"	77.926316
"1076173"	68.979358	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2K"	77.926316
"1108288"	138.965992	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2K+H"	78.933592
"1343580"	139.053607	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+DMSO+H"	79.021207
"1013206"	143.092776	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2ACN+H"	83.060376
"1533517"	144.086408	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+IsoProp+Na+H"	84.054008
"994498"	72.050026	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+2ACN+2H"	84.067652
"1597751"	145.001028	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+K+HCOOH"	84.968628
"1419042"	175.032538	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+H+CF3COOH"	115.000138
"1147634"	92.563301	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+3ACN+2H"	125.094202
"1704358"	192.059085	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+NH4+CF3COOH"	132.026685
"1642195"	197.01448	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+Na+CF3COOH"	136.98208
"1576752"	212.98842	"C00086"	"Urea;Carbamide"	"CH4N2O"	"60.0324"	"M+K+CF3COOH"	152.95602
"807116"	31.9721	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M"	0
"980649"	12.95371	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-H2O-H"	-19.01839
"63297"	20.3074573333333	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M-3H"	-3.021828
"503342"	30.964824	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M-3H"	-3.021828
"880079"	9.65009066666667	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-3H"	-3.021828
"3733"	30.964824	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M-2H"	-2.014552
"444387"	46.950874	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M-2H"	-2.014552
"824375"	14.978774	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-2H"	-2.014552
"83639"	62.936924	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M-H"	-1.007276
"522835"	94.909024	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M-H"	-1.007276
"900639"	30.964824	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-H"	-1.007276
"51731"	79.963471	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M-2H+NH4"	16.019271
"495667"	111.935571	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M-2H+NH4"	16.019271
"870186"	47.991371	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-2H+NH4"	16.019271
"34810"	84.918866	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M-2H+Na"	20.974666
"475459"	116.890966	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M-2H+Na"	20.974666
"852168"	52.946766	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-2H+Na"	20.974666
"1620975"	52.946766	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Na-2H"	20.974666
"106621"	48.953163	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M-H+Cl"	33.962126
"549710"	64.939213	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M-H+Cl"	33.962126
"942622"	32.967113	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-H+Cl"	33.962126
"282270"	98.913602	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+Cl"	34.969402
"674810"	130.885702	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+Cl"	34.969402
"1285633"	66.941502	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Cl"	34.969402
"27094"	100.892806	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M-2H+K"	36.948606
"467022"	132.864906	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M-2H+K"	36.948606
"848427"	68.920706	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-2H+K"	36.948606
"1564667"	68.920706	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+K-2H"	36.948606
"955832"	76.970294	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-H+HCOOH"	44.998194
"373319"	108.942401	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+HCOOH-H"	44.998201
"358659"	122.958051	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+Hac-H"	59.013851
"1504941"	90.985951	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Hac-H"	59.013851
"969202"	98.952251	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-H+NaCOOH"	66.980151
"119567"	66.941502	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+2Cl"	69.938804
"558397"	82.927552	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+2Cl"	69.938804
"1035582"	50.955452	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2Cl"	69.938804
"1254797"	110.890985	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Br"	78.918885
"1311413"	112.946972	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Cl+HCOOH"	80.974872
"1331097"	134.928929	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Cl+NaCOOH"	102.956829
"917785"	144.957686	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M-H+CF3COOH"	112.985586
"1295586"	180.934364	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Cl+CF3COOH"	148.962264
"1378123"	-3.040576	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H-2H2O"	-35.012676
"1395619"	14.9694	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H-H2O"	-17.0027
"295305"	64.951476	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+H"	1.007276
"687727"	96.923576	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+H"	1.007276
"1362983"	32.979376	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H"	1.007276
"131498"	32.979376	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+2H"	2.014552
"573247"	48.965426	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+2H"	2.014552
"1048609"	16.993326	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2H"	2.014552
"214324"	22.3220093333333	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+3H"	3.021828
"652791"	32.979376	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+3H"	3.021828
"1174195"	11.6646426666667	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+3H"	3.021828
"430907"	81.978023	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+NH4"	18.033823
"791904"	113.950123	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+NH4"	18.033823
"1688235"	50.005923	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+NH4"	18.033823
"337607"	41.4926495	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+H+NH4"	19.041099
"728203"	57.4786995	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+H+NH4"	19.041099
"1483118"	25.5065995	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H+NH4"	19.041099
"394873"	86.933418	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+Na"	22.989218
"761336"	118.905518	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+Na"	22.989218
"1607613"	54.961318	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Na"	22.989218
"319469"	43.970347	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+H+Na"	23.996494
"714078"	59.956397	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+H+Na"	23.996494
"1462795"	27.984297	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H+Na"	23.996494
"1056042"	18.9919566666667	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2H+Na"	25.00377
"1258448"	65.005586	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+CH3OH+H"	33.033486
"377261"	102.907358	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+K"	38.963158
"738744"	134.879458	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+K"	38.963158
"1541165"	70.935258	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+K"	38.963158
"300532"	51.957317	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+H+K"	39.970434
"694046"	67.943367	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+H+K"	39.970434
"1452245"	35.971267	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H+K"	39.970434
"240846"	105.978026	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+ACN+H"	42.033826
"1211370"	74.005926	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+ACN+H"	42.033826
"1199264"	37.506601	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+ACN+2H"	43.041102
"192864"	108.91536	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+2Na-H"	44.97116
"636069"	140.88746	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+2Na-H"	44.97116
"1140669"	76.94326	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2Na-H"	44.97116
"175331"	54.961318	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+2Na"	45.978436
"618053"	70.947368	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+2Na"	45.978436
"1118277"	38.975268	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2Na"	45.978436
"1402167"	26.3192706666667	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H+2Na"	46.985712
"1435012"	78.984846	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H+HCOOH"	47.012746
"221060"	59.99434	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+3H2O+2H"	56.04448
"1512041"	93.03689	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+IsoProp+H"	61.06479
"411731"	62.948288	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+Na+K"	61.952376
"772729"	78.934338	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+Na+K"	61.952376
"1667964"	46.962238	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Na+K"	61.952376
"252662"	127.959968	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+ACN+Na"	64.015768
"1228653"	95.987868	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+ACN+Na"	64.015768
"1716449"	96.011393	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+NH4+HCOOH"	64.039293
"1184355"	33.6465846666667	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+3Na"	68.967654
"1660082"	100.966788	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Na+HCOOH"	68.994688
"169860"	140.86324	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+2K-H"	76.91904
"600305"	172.83534	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+2K-H"	76.91904
"1092110"	108.89114	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2K-H"	76.91904
"150019"	70.935258	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"2M+2K"	77.926316
"590674"	86.921308	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"3M+2K"	77.926316
"1076281"	54.949208	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2K"	77.926316
"1104024"	110.905692	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2K+H"	78.933592
"1342595"	110.993307	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+DMSO+H"	79.021207
"1012223"	115.032476	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2ACN+H"	83.060376
"1529254"	116.026108	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+IsoProp+Na+H"	84.054008
"992421"	58.019876	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+2ACN+2H"	84.067652
"1590207"	116.940728	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+K+HCOOH"	84.968628
"1419152"	146.972238	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+H+CF3COOH"	115.000138
"1147501"	78.533151	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+3ACN+2H"	125.094202
"1704468"	163.998785	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+NH4+CF3COOH"	132.026685
"1642305"	168.95418	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+Na+CF3COOH"	136.98208
"1576862"	184.92812	"C00087"	"Sulfur;S;Elemental sulfur"	"S"	"31.9721"	"M+K+CF3COOH"	152.95602
"807226"	47.0007	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M"	0
"980759"	27.98231	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-H2O-H"	-19.01839
"63530"	30.326524	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M-3H"	-3.021828
"503164"	45.993424	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M-3H"	-3.021828
"880405"	14.659624	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-3H"	-3.021828
"1656"	45.993424	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M-2H"	-2.014552
"442310"	69.493774	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M-2H"	-2.014552
"821205"	22.493074	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-2H"	-2.014552
"80833"	92.994124	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M-H"	-1.007276
"519784"	139.994824	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M-H"	-1.007276
"900749"	45.993424	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-H"	-1.007276
"52938"	110.020671	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M-2H+NH4"	16.019271
"495777"	157.021371	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M-2H+NH4"	16.019271
"866285"	63.019971	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-2H+NH4"	16.019271
"37105"	114.976066	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M-2H+Na"	20.974666
"474477"	161.976766	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M-2H+Na"	20.974666
"848997"	67.975366	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-2H+Na"	20.974666
"1619627"	67.975366	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Na-2H"	20.974666
"103815"	63.981763	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M-H+Cl"	33.962126
"549089"	87.482113	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M-H+Cl"	33.962126
"942445"	40.481413	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-H+Cl"	33.962126
"281770"	128.970802	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+Cl"	34.969402
"674798"	175.971502	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+Cl"	34.969402
"1285623"	81.970102	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Cl"	34.969402
"27204"	130.950006	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M-2H+K"	36.948606
"468587"	177.950706	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M-2H+K"	36.948606
"844569"	83.949306	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-2H+K"	36.948606
"1562590"	83.949306	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+K-2H"	36.948606
"954849"	91.998894	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-H+HCOOH"	44.998194
"374158"	138.999601	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+HCOOH-H"	44.998201
"358769"	153.015251	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+Hac-H"	59.013851
"1505780"	106.014551	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Hac-H"	59.013851
"968947"	113.980851	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-H+NaCOOH"	66.980151
"118220"	81.970102	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+2Cl"	69.938804
"558507"	105.470452	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+2Cl"	69.938804
"1031319"	58.469752	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2Cl"	69.938804
"1253084"	125.919585	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Br"	78.918885
"1308243"	127.975572	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Cl+HCOOH"	80.974872
"1326834"	149.957529	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Cl+NaCOOH"	102.956829
"917895"	159.986286	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M-H+CF3COOH"	112.985586
"1295696"	195.962964	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Cl+CF3COOH"	148.962264
"1380419"	11.988024	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H-2H2O"	-35.012676
"1394635"	29.998	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H-H2O"	-17.0027
"294322"	95.008676	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+H"	1.007276
"686744"	142.009376	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+H"	1.007276
"1365279"	48.007976	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H"	1.007276
"131608"	48.007976	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+2H"	2.014552
"568253"	71.508326	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+2H"	2.014552
"1046531"	24.507626	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2H"	2.014552
"215527"	32.341076	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+3H"	3.021828
"655087"	48.007976	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+3H"	3.021828
"1169931"	16.674176	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+3H"	3.021828
"429923"	112.035223	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+NH4"	18.033823
"790555"	159.035923	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+NH4"	18.033823
"1688345"	65.034523	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+NH4"	18.033823
"337717"	56.5212495	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+H+NH4"	19.041099
"728313"	80.0215995	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+H+NH4"	19.041099
"1482134"	33.0208995	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H+NH4"	19.041099
"394618"	116.990618	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+Na"	22.989218
"761445"	163.991318	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+Na"	22.989218
"1605535"	69.989918	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Na"	22.989218
"322858"	58.998947	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+H+Na"	23.996494
"716375"	82.499297	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+H+Na"	23.996494
"1463636"	35.498597	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H+Na"	23.996494
"1055786"	24.00149	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2H+Na"	25.00377
"1257501"	80.034186	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+CH3OH+H"	33.033486
"378226"	132.964558	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+K"	38.963158
"741775"	179.965258	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+K"	38.963158
"1540379"	85.963858	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+K"	38.963158
"299057"	66.985917	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+H+K"	39.970434
"692204"	90.486267	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+H+K"	39.970434
"1449073"	43.485567	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H+K"	39.970434
"238769"	136.035226	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+ACN+H"	42.033826
"1210626"	89.034526	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+ACN+H"	42.033826
"1195728"	45.020901	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+ACN+2H"	43.041102
"192974"	138.97256	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+2Na-H"	44.97116
"635451"	185.97326	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+2Na-H"	44.97116
"1136405"	91.97186	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2Na-H"	44.97116
"174346"	69.989918	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+2Na"	45.978436
"614272"	93.490268	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+2Na"	45.978436
"1116194"	46.489568	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2Na"	45.978436
"1398867"	31.328804	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H+2Na"	46.985712
"1430135"	94.013446	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H+HCOOH"	47.012746
"220355"	75.02294	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+3H2O+2H"	56.04448
"1512880"	108.06549	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+IsoProp+H"	61.06479
"411112"	77.976888	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+Na+K"	61.952376
"773932"	101.477238	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+Na+K"	61.952376
"1669167"	54.476538	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Na+K"	61.952376
"252041"	158.017168	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+ACN+Na"	64.015768
"1229492"	111.016468	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+ACN+Na"	64.015768
"1715465"	111.039993	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+NH4+HCOOH"	64.039293
"1184101"	38.656118	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+3Na"	68.967654
"1658369"	115.995388	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Na+HCOOH"	68.994688
"166691"	170.92044	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+2K-H"	76.91904
"599321"	217.92114	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+2K-H"	76.91904
"1094406"	123.91974	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2K-H"	76.91904
"146849"	85.963858	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"2M+2K"	77.926316
"586410"	109.464208	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"3M+2K"	77.926316
"1076391"	62.463508	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2K"	77.926316
"1103041"	125.934292	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2K+H"	78.933592
"1341611"	126.021907	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+DMSO+H"	79.021207
"1012333"	130.061076	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2ACN+H"	83.060376
"1529364"	131.054708	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+IsoProp+Na+H"	84.054008
"992531"	65.534176	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+2ACN+2H"	84.067652
"1590317"	131.969328	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+K+HCOOH"	84.968628
"1420355"	162.000838	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+H+CF3COOH"	115.000138
"1151742"	86.047451	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+3ACN+2H"	125.094202
"1701298"	179.027385	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+NH4+CF3COOH"	132.026685
"1642415"	183.98278	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+Na+CF3COOH"	136.98208
"1576972"	199.95672	"C00088"	"Nitrite"	"HNO2"	"47.0007"	"M+K+CF3COOH"	152.95602
"807336"	342.1162	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M"	0
"978682"	323.09781	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"64370"	227.070190666667	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"504658"	341.108924	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"885378"	113.031457333333	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"6140"	341.108924	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"446793"	512.167024	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"824595"	170.050824	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"86775"	683.225124	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"529616"	1025.341324	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"905233"	341.108924	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"56328"	700.251671	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"492608"	1042.367871	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"868219"	358.135471	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"37216"	705.207066	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"473859"	1047.323266	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"850204"	363.090866	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1620105"	363.090866	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"107205"	359.097263	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"548717"	530.155363	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"942358"	188.039163	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"280664"	719.201802	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"674179"	1061.318002	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1287071"	377.085602	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"28410"	721.181006	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"469064"	1063.297206	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"845773"	379.064806	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1563794"	379.064806	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"955687"	387.114394	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"375362"	729.230601	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"357424"	743.246251	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1505527"	401.130051	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"968695"	409.096351	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"117966"	377.085602	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"560443"	548.143702	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1026328"	206.027502	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1244812"	421.035085	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1312727"	423.091072	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1329133"	445.073029	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"921285"	455.101786	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1297993"	491.078464	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1377250"	307.103524	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1394746"	325.1135	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"291154"	685.239676	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"687947"	1027.355876	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1362110"	343.123476	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"131718"	343.123476	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"570550"	514.181576	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1046641"	172.065376	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"214543"	229.084742666667	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"647904"	343.123476	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1170042"	115.046009333333	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"431494"	702.266223	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795408"	1044.382423	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1692833"	360.150023	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"338922"	351.6367495	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"733530"	522.6948495	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1488444"	180.5786495	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"394730"	707.221618	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"758275"	1049.337818	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1614028"	365.105418	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"326252"	354.114447	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"717579"	525.172547	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1465933"	183.056347	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1055535"	122.373323333333	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1261951"	375.149686	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"377728"	723.195558	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"739335"	1065.311758	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1541752"	381.079358	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"299293"	362.101417	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"696457"	533.159517	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1448092"	191.043317	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"238882"	726.266226	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1210370"	384.150026	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1196933"	192.578651	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"198188"	729.20356	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"636656"	1071.31976	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1137609"	387.08736	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"173360"	365.105418	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"613653"	536.163518	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1117768"	194.047318	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1398856"	129.700637333333	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1431222"	389.128946	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"222742"	370.13844	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1517730"	403.18099	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"411590"	373.092388	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"771854"	544.150488	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1667091"	202.034288	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"252516"	748.248168	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1228510"	406.131968	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1721775"	406.155493	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1181294"	137.027951333333	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1658114"	411.110888	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"168257"	761.15144	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"598339"	1103.26764	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1089050"	419.03524	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"143316"	381.079358	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"583361"	552.137458	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1074315"	210.021258	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1110078"	421.049792	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1343911"	421.137407	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1009163"	425.176576	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1534577"	426.170208	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1000295"	213.091926	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1592613"	427.084828	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1418279"	457.116338	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1149663"	233.605201	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1704688"	474.142885	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1642525"	479.09828	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1577082"	495.07222	"C00089"	"Sucrose;Cane sugar;Saccharose;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"807446"	110.0368	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M"	0
"978792"	91.01841	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-H2O-H"	-19.01839
"64846"	72.3505906666667	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M-3H"	-3.021828
"508780"	109.029524	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M-3H"	-3.021828
"886582"	35.6716573333333	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-3H"	-3.021828
"6251"	109.029524	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M-2H"	-2.014552
"446904"	164.047924	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M-2H"	-2.014552
"821789"	54.011124	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-2H"	-2.014552
"83605"	219.066324	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M-H"	-1.007276
"528269"	329.103124	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M-H"	-1.007276
"905343"	109.029524	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-H"	-1.007276
"56438"	236.092871	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M-2H+NH4"	16.019271
"492718"	346.129671	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M-2H+NH4"	16.019271
"869424"	126.056071	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-2H+NH4"	16.019271
"35140"	241.048266	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M-2H+Na"	20.974666
"473969"	351.085066	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M-2H+Na"	20.974666
"851405"	131.011466	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-2H+Na"	20.974666
"1620215"	131.011466	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Na-2H"	20.974666
"101848"	127.017863	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M-H+Cl"	33.962126
"544691"	182.036263	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M-H+Cl"	33.962126
"941739"	71.999463	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-H+Cl"	33.962126
"278950"	255.043002	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+Cl"	34.969402
"672464"	365.079802	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+Cl"	34.969402
"1284870"	145.006202	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Cl"	34.969402
"28520"	257.022206	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M-2H+K"	36.948606
"464798"	367.059006	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M-2H+K"	36.948606
"841509"	146.985406	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-2H+K"	36.948606
"1563904"	146.985406	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+K-2H"	36.948606
"955433"	155.034994	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-H+HCOOH"	44.998194
"372920"	265.071801	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+HCOOH-H"	44.998201
"354981"	279.087451	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+Hac-H"	59.013851
"1502721"	169.050651	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Hac-H"	59.013851
"966982"	177.016951	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-H+NaCOOH"	66.980151
"114796"	145.006202	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+2Cl"	69.938804
"555449"	200.024602	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+2Cl"	69.938804
"1022185"	89.987802	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2Cl"	69.938804
"1242128"	188.955685	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Br"	78.918885
"1306276"	191.011672	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Cl+HCOOH"	80.974872
"1325963"	212.993629	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Cl+NaCOOH"	102.956829
"918115"	223.022386	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M-H+CF3COOH"	112.985586
"1295916"	258.999064	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Cl+CF3COOH"	148.962264
"1375173"	75.024124	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H-2H2O"	-35.012676
"1392669"	93.0341	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H-H2O"	-17.0027
"293451"	221.080876	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+H"	1.007276
"686964"	331.117676	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+H"	1.007276
"1360033"	111.044076	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H"	1.007276
"130735"	111.044076	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+2H"	2.014552
"575763"	166.062476	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+2H"	2.014552
"1040190"	56.025676	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2H"	2.014552
"212465"	74.3651426666667	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+3H"	3.021828
"646923"	111.044076	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+3H"	3.021828
"1170154"	37.6862093333333	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+3H"	3.021828
"433427"	238.107423	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+NH4"	18.033823
"796612"	348.144223	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+NH4"	18.033823
"1695130"	128.070623	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+NH4"	18.033823
"339032"	119.5573495	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+H+NH4"	19.041099
"733641"	174.5757495	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+H+NH4"	19.041099
"1489646"	64.5389495	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H+NH4"	19.041099
"393382"	243.062818	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+Na"	22.989218
"758385"	353.099618	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+Na"	22.989218
"1613044"	133.026018	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Na"	22.989218
"323082"	122.035047	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+H+Na"	23.996494
"716596"	177.053447	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+H+Na"	23.996494
"1466408"	67.016647	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H+Na"	23.996494
"1055647"	45.0135233333333	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2H+Na"	25.00377
"1263153"	143.070286	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+CH3OH+H"	33.033486
"378570"	259.036758	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+K"	38.963158
"740540"	369.073558	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+K"	38.963158
"1540648"	148.999958	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+K"	38.963158
"299769"	130.022017	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+H+K"	39.970434
"696568"	185.040417	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+H+K"	39.970434
"1448203"	75.003617	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H+K"	39.970434
"237899"	262.107426	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+ACN+H"	42.033826
"1210845"	152.070626	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+ACN+H"	42.033826
"1197043"	76.538951	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+ACN+2H"	43.041102
"198298"	265.04476	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+2Na-H"	44.97116
"640046"	375.08156	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+2Na-H"	44.97116
"1138812"	155.00796	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2Na-H"	44.97116
"177364"	133.026018	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+2Na"	45.978436
"616559"	188.044418	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+2Na"	45.978436
"1117148"	78.007618	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2Na"	45.978436
"1399699"	52.3408373333333	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H+2Na"	46.985712
"1432425"	157.049546	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H+HCOOH"	47.012746
"227591"	138.05904	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+3H2O+2H"	56.04448
"1514559"	171.10159	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+IsoProp+H"	61.06479
"412065"	141.012988	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+Na+K"	61.952376
"771112"	196.031388	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+Na+K"	61.952376
"1667201"	85.994588	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Na+K"	61.952376
"252868"	284.089368	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+ACN+Na"	64.015768
"1230078"	174.052568	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+ACN+Na"	64.015768
"1716415"	174.076093	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+NH4+HCOOH"	64.039293
"1182132"	59.6681513333333	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+3Na"	68.967654
"1653120"	179.031488	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Na+HCOOH"	68.994688
"161440"	296.99264	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+2K-H"	76.91904
"599542"	407.02944	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+2K-H"	76.91904
"1084330"	186.95584	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2K-H"	76.91904
"144153"	148.999958	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"2M+2K"	77.926316
"582985"	204.018358	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"3M+2K"	77.926316
"1071145"	93.981558	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2K"	77.926316
"1102169"	188.970392	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2K+H"	78.933592
"1338552"	189.058007	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+DMSO+H"	79.021207
"1006107"	193.097176	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2ACN+H"	83.060376
"1528490"	194.090808	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+IsoProp+Na+H"	84.054008
"994937"	97.052226	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+2ACN+2H"	84.067652
"1589442"	195.005428	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+K+HCOOH"	84.968628
"1415470"	225.036938	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+H+CF3COOH"	115.000138
"1148313"	117.565501	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+3ACN+2H"	125.094202
"1704797"	242.063485	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+NH4+CF3COOH"	132.026685
"1642635"	247.01888	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+Na+CF3COOH"	136.98208
"1577192"	262.99282	"C00090"	"Catechol;12-Benzenediol;o-Benzenediol;12-Dihydroxybenzene;Brenzcatechin;Pyrocatechol"	"C6H6O2"	"110.0368"	"M+K+CF3COOH"	152.95602
"814120"	867.1313	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M"	0
"983278"	848.11291	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-H2O-H"	-19.01839
"70426"	577.080257333333	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M-3H"	-3.021828
"507799"	866.124024	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M-3H"	-3.021828
"883413"	288.036490666667	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-3H"	-3.021828
"9641"	866.124024	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M-2H"	-2.014552
"453212"	1299.689674	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M-2H"	-2.014552
"824819"	432.558374	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-2H"	-2.014552
"84810"	1733.255324	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M-H"	-1.007276
"525463"	2600.386624	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M-H"	-1.007276
"905452"	866.124024	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-H"	-1.007276
"49987"	1750.281871	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+NH4"	16.019271
"492828"	2617.413171	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+NH4"	16.019271
"870627"	883.150571	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-2H+NH4"	16.019271
"36343"	1755.237266	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+Na"	20.974666
"475904"	2622.368566	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+Na"	20.974666
"849813"	888.105966	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-2H+Na"	20.974666
"1621054"	888.105966	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Na-2H"	20.974666
"103051"	884.112363	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M-H+Cl"	33.962126
"544801"	1317.678013	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M-H+Cl"	33.962126
"942698"	450.546713	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-H+Cl"	33.962126
"279060"	1769.232002	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+Cl"	34.969402
"672574"	2636.363302	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+Cl"	34.969402
"1284980"	902.100702	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Cl"	34.969402
"29602"	1771.211206	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+K"	36.948606
"466001"	2638.342506	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+K"	36.948606
"841619"	904.079906	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-2H+K"	36.948606
"1565108"	904.079906	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+K-2H"	36.948606
"955178"	912.129494	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-H+HCOOH"	44.998194
"371207"	1779.260801	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+HCOOH-H"	44.998201
"351810"	1793.276451	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+Hac-H"	59.013851
"1500644"	926.145151	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Hac-H"	59.013851
"968188"	934.111451	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-H+NaCOOH"	66.980151
"118185"	902.100702	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+2Cl"	69.938804
"557746"	1335.666352	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+2Cl"	69.938804
"1026546"	468.535052	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2Cl"	69.938804
"1241626"	946.050185	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Br"	78.918885
"1305168"	948.106172	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+HCOOH"	80.974872
"1320969"	970.088129	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+NaCOOH"	102.956829
"915309"	980.116886	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M-H+CF3COOH"	112.985586
"1292746"	1016.093564	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+CF3COOH"	148.962264
"1375283"	832.118624	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H-2H2O"	-35.012676
"1391686"	850.1286	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H-H2O"	-17.0027
"293561"	1735.269876	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+H"	1.007276
"685981"	2602.401176	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+H"	1.007276
"1360143"	868.138576	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H"	1.007276
"131938"	868.138576	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+2H"	2.014552
"572592"	1301.704226	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+2H"	2.014552
"1039935"	434.572926	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2H"	2.014552
"207472"	579.094809333333	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+3H"	3.021828
"645210"	868.138576	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+3H"	3.021828
"1167347"	290.051042666667	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+3H"	3.021828
"433901"	1752.296423	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+NH4"	18.033823
"795628"	2619.427723	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+NH4"	18.033823
"1693782"	885.165123	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+NH4"	18.033823
"339142"	876.6518495	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+H+NH4"	19.041099
"734844"	1310.2174995	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+H+NH4"	19.041099
"1488663"	443.0861995	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H+NH4"	19.041099
"395678"	1757.251818	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+Na"	22.989218
"760682"	2624.383118	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+Na"	22.989218
"1610967"	890.120518	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Na"	22.989218
"323192"	879.129547	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+H+Na"	23.996494
"716706"	1312.695197	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+H+Na"	23.996494
"1465424"	445.563897	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H+Na"	23.996494
"1054178"	297.378356666667	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2H+Na"	25.00377
"1263263"	900.164786	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+CH3OH+H"	33.033486
"379653"	1773.225758	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+K"	38.963158
"741015"	2640.357058	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+K"	38.963158
"1541610"	906.094458	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+K"	38.963158
"298675"	887.116517	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+H+K"	39.970434
"695585"	1320.682167	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+H+K"	39.970434
"1449406"	453.550867	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H+K"	39.970434
"238008"	1776.296426	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+H"	42.033826
"1210384"	909.165126	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+H"	42.033826
"1196789"	455.086201	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+2H"	43.041102
"198408"	1779.23376	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na-H"	44.97116
"640522"	2646.36506	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na-H"	44.97116
"1140381"	912.10246	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2Na-H"	44.97116
"177838"	890.120518	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na"	45.978436
"615940"	1323.686168	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na"	45.978436
"1119444"	456.554868	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2Na"	45.978436
"1400052"	304.705670666667	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H+2Na"	46.985712
"1432049"	914.144046	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H+HCOOH"	47.012746
"228794"	895.15354	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+3H2O+2H"	56.04448
"1514669"	928.19609	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+H"	61.06479
"412171"	898.107488	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+Na+K"	61.952376
"774262"	1331.673138	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+Na+K"	61.952376
"1666824"	464.541838	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Na+K"	61.952376
"253342"	1798.278368	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+Na"	64.015768
"1232008"	931.147068	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+Na"	64.015768
"1718348"	931.170593	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+HCOOH"	64.039293
"1182969"	312.032984666667	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+3Na"	68.967654
"1652135"	936.125988	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Na+HCOOH"	68.994688
"159363"	1811.18164	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+2K-H"	76.91904
"598796"	2678.31294	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+2K-H"	76.91904
"1084525"	944.05034	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2K-H"	76.91904
"142797"	906.094458	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"2M+2K"	77.926316
"583460"	1339.660108	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"3M+2K"	77.926316
"1072348"	472.528808	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2K"	77.926316
"1105559"	946.064892	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2K+H"	78.933592
"1338662"	946.152507	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+DMSO+H"	79.021207
"1006337"	950.191676	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+H"	83.060376
"1526412"	951.185308	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+Na+H"	84.054008
"990913"	475.599476	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+2H"	84.067652
"1589552"	952.099928	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+K+HCOOH"	84.968628
"1414850"	982.131438	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+H+CF3COOH"	115.000138
"1149883"	496.112751	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+3ACN+2H"	125.094202
"1704905"	999.157985	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+CF3COOH"	132.026685
"1636182"	1004.11338	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+Na+CF3COOH"	136.98208
"1577302"	1020.08732	"C00091"	"Succinyl-CoA;Succinyl coenzyme A"	"C25H40N7O19P3S"	"867.1313"	"M+K+CF3COOH"	152.95602
"807666"	260.0297	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M"	0
"983388"	241.01131	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"70536"	172.345857333333	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"511189"	259.022424	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"885710"	85.6692906666667	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"9751"	259.022424	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"450406"	389.037274	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"824929"	129.007574	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"83097"	519.052124	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"527760"	779.081824	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"902282"	259.022424	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"54470"	536.078671	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"495125"	796.108371	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"872924"	276.048971	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"36454"	541.034066	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"474921"	801.063766	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"849438"	281.004366	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1622621"	281.004366	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"104255"	277.010763	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"549815"	407.025613	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"942603"	146.995913	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"281965"	555.028802	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"672684"	815.058502	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1285090"	294.999102	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"26553"	557.008006	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"468298"	817.037706	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"842823"	296.978306	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1564123"	296.978306	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"953101"	305.027894	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"373504"	565.057601	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"354107"	579.073251	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1500751"	319.043551	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"968296"	327.009851	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"116107"	294.999102	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"555669"	425.013952	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1027747"	164.984252	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1242590"	338.948585	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1305767"	341.004572	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1321076"	362.986529	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"915419"	373.015286	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1291397"	408.991964	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1375393"	225.017024	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1391795"	243.027	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"293671"	521.066676	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"683904"	781.096376	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1360253"	261.036976	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"130955"	261.036976	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"571609"	391.051826	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040409"	131.022126	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"209405"	174.360409333333	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"646777"	261.036976	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1168551"	87.6838426666667	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"433647"	538.093223	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"796831"	798.122923	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1692070"	278.063523	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"340345"	269.5502495	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"734954"	399.5650995	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1489869"	139.5353995	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"396518"	543.048618	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"757875"	803.078318	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1611076"	283.018918	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"318928"	272.027947	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"716816"	402.042797	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1464074"	142.013097	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1056230"	95.0111566666667	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1259364"	293.063186	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"377941"	559.022558	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"740397"	819.052258	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1540097"	298.992858	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"298704"	280.014917	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"692413"	410.029767	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1448422"	150.000067	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"239211"	562.093226	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1212281"	302.063526	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1196899"	151.535401	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"198518"	565.03056	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"639905"	825.06026	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1140491"	305.00086	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"177947"	283.018918	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"615685"	413.033768	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1118460"	153.004068	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1399917"	102.338470666667	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1433737"	307.042446	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"225622"	288.05194	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1510402"	321.09449	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"414468"	291.005888	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"774372"	421.020738	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1667057"	160.991038	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"252968"	584.075168	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1231026"	324.045468	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1718458"	324.068993	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1184173"	109.665784666667	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1653339"	329.024388	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"159473"	596.97844	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"599759"	857.00814	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1086826"	336.94874	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"141941"	298.992858	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"582962"	429.007708	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1071365"	168.978008	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1105669"	338.963292	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1339865"	339.050907	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1008398"	343.090076	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1527615"	344.083708	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"990534"	172.048676	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1589662"	344.998328	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1416421"	375.029838	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1149993"	192.561951	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1705015"	392.056385	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1635198"	397.01178	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1577412"	412.98572	"C00092"	"D-Glucose 6-phosphate;Glucose 6-phosphate;Robison ester"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"807776"	172.0137	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M"	0
"983498"	152.99531	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H2O-H"	-19.01839
"70646"	113.668524	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-3H"	-3.021828
"511299"	171.006424	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-3H"	-3.021828
"885820"	56.330624	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-3H"	-3.021828
"9861"	171.006424	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H"	-2.014552
"450152"	257.013274	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H"	-2.014552
"825039"	84.999574	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H"	-2.014552
"80655"	343.020124	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-H"	-1.007276
"530786"	515.033824	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-H"	-1.007276
"898382"	171.006424	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H"	-1.007276
"53487"	360.046671	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+NH4"	16.019271
"493048"	532.060371	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+NH4"	16.019271
"869754"	188.032971	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+NH4"	16.019271
"36564"	365.002066	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+Na"	20.974666
"473937"	537.015766	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+Na"	20.974666
"849300"	192.988366	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+Na"	20.974666
"1626743"	192.988366	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na-2H"	20.974666
"103272"	188.994763	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-H+Cl"	33.962126
"548304"	275.001613	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-H+Cl"	33.962126
"941455"	102.987913	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+Cl"	33.962126
"280981"	378.996802	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Cl"	34.969402
"672793"	551.010502	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+Cl"	34.969402
"1286295"	206.983102	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl"	34.969402
"26663"	380.976006	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+K"	36.948606
"470965"	552.989706	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+K"	36.948606
"845485"	208.962306	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+K"	36.948606
"1569337"	208.962306	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K-2H"	36.948606
"954305"	217.011894	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+HCOOH"	44.998194
"373615"	389.025601	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+HCOOH-H"	44.998201
"354217"	403.041251	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Hac-H"	59.013851
"1500861"	231.027551	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Hac-H"	59.013851
"968406"	238.993851	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+NaCOOH"	66.980151
"112938"	206.983102	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Cl"	69.938804
"556872"	292.989952	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Cl"	69.938804
"1028588"	120.976252	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2Cl"	69.938804
"1241485"	250.932585	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Br"	78.918885
"1305877"	252.988572	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+HCOOH"	80.974872
"1322280"	274.970529	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+NaCOOH"	102.956829
"912613"	284.999286	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+CF3COOH"	112.985586
"1292966"	320.975964	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+CF3COOH"	148.962264
"1375503"	137.001024	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H-2H2O"	-35.012676
"1391905"	155.011	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H-H2O"	-17.0027
"290501"	345.034676	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H"	1.007276
"682921"	517.048376	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H"	1.007276
"1363643"	173.020976	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H"	1.007276
"128878"	173.020976	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2H"	2.014552
"572813"	259.027826	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2H"	2.014552
"1043799"	87.014126	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2H"	2.014552
"212794"	115.683076	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+3H"	3.021828
"644821"	173.020976	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+3H"	3.021828
"1164286"	58.345176	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+3H"	3.021828
"431570"	362.061223	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+NH4"	18.033823
"794754"	534.074923	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+NH4"	18.033823
"1691085"	190.047523	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4"	18.033823
"341548"	181.5342495	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+NH4"	19.041099
"735064"	267.5410995	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+NH4"	19.041099
"1489979"	95.5273995	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+NH4"	19.041099
"393348"	367.016618	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Na"	22.989218
"756528"	539.030318	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+Na"	22.989218
"1612281"	195.002918	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na"	22.989218
"320132"	184.011947	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+Na"	23.996494
"716926"	270.018797	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+Na"	23.996494
"1468559"	98.005097	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+Na"	23.996494
"1054153"	65.67249	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2H+Na"	25.00377
"1257245"	205.047186	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+CH3OH+H"	33.033486
"379144"	382.990558	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+K"	38.963158
"740869"	555.004258	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+K"	38.963158
"1540735"	210.976858	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K"	38.963158
"300098"	191.998917	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+K"	39.970434
"691793"	278.005767	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+K"	39.970434
"1449626"	105.992067	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+K"	39.970434
"241511"	386.061226	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+ACN+H"	42.033826
"1211420"	214.047526	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+H"	42.033826
"1197009"	107.527401	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+2H"	43.041102
"198628"	388.99856	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Na-H"	44.97116
"636002"	561.01226	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Na-H"	44.97116
"1140601"	216.98486	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2Na-H"	44.97116
"179518"	195.002918	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Na"	45.978436
"613243"	281.009768	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Na"	45.978436
"1118935"	108.996068	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2Na"	45.978436
"1400637"	72.999804	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+2Na"	46.985712
"1432024"	219.026446	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+HCOOH"	47.012746
"230107"	200.03594	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+3H2O+2H"	56.04448
"1515982"	233.07849	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+IsoProp+H"	61.06479
"412389"	202.989888	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Na+K"	61.952376
"774481"	288.996738	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+Na+K"	61.952376
"1670816"	116.983038	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+K"	61.952376
"252959"	408.043168	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+ACN+Na"	64.015768
"1231136"	236.029468	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+Na"	64.015768
"1718568"	236.052993	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4+HCOOH"	64.039293
"1183192"	80.327118	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+3Na"	68.967654
"1655273"	241.008388	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+HCOOH"	68.994688
"164323"	420.94644	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2K-H"	76.91904
"598412"	592.96014	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2K-H"	76.91904
"1089486"	248.93274	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2K-H"	76.91904
"145211"	210.976858	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2K"	77.926316
"581608"	296.983708	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2K"	77.926316
"1069161"	124.970008	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2K"	77.926316
"1105779"	250.947292	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2K+H"	78.933592
"1343258"	251.034907	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+DMSO+H"	79.021207
"1008507"	255.074076	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2ACN+H"	83.060376
"1528820"	256.067708	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+IsoProp+Na+H"	84.054008
"991013"	128.040676	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2ACN+2H"	84.067652
"1589774"	256.982328	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K+HCOOH"	84.968628
"1416163"	287.013838	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+CF3COOH"	115.000138
"1150103"	148.553951	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+3ACN+2H"	125.094202
"1705125"	304.040385	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4+CF3COOH"	132.026685
"1637495"	308.99578	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+CF3COOH"	136.98208
"1577522"	324.96972	"C00093"	"sn-Glycerol 3-phosphate;Glycerophosphoric acid;D-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K+CF3COOH"	152.95602
"807886"	81.9725	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M"	0
"983608"	62.95411	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-H2O-H"	-19.01839
"70756"	53.6410573333333	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M-3H"	-3.021828
"508129"	80.965224	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M-3H"	-3.021828
"883743"	26.3168906666667	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-3H"	-3.021828
"9971"	80.965224	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M-2H"	-2.014552
"453906"	121.951474	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M-2H"	-2.014552
"825149"	39.978974	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-2H"	-2.014552
"81859"	162.937724	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M-H"	-1.007276
"531260"	244.910224	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M-H"	-1.007276
"901409"	80.965224	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-H"	-1.007276
"55419"	179.964271	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M-2H+NH4"	16.019271
"493157"	261.936771	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M-2H+NH4"	16.019271
"873142"	97.991771	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-2H+NH4"	16.019271
"38859"	184.919666	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M-2H+Na"	20.974666
"478419"	266.892166	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M-2H+Na"	20.974666
"849776"	102.947166	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-2H+Na"	20.974666
"1631225"	102.947166	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Na-2H"	20.974666
"103379"	98.953563	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M-H+Cl"	33.962126
"546954"	139.939813	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M-H+Cl"	33.962126
"938646"	57.967313	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-H+Cl"	33.962126
"279390"	198.914402	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+Cl"	34.969402
"669623"	280.886902	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+Cl"	34.969402
"1285311"	116.941902	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Cl"	34.969402
"29689"	200.893606	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M-2H+K"	36.948606
"470467"	282.866106	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M-2H+K"	36.948606
"846810"	118.921106	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-2H+K"	36.948606
"1569812"	118.921106	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+K-2H"	36.948606
"955507"	126.970694	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-H+HCOOH"	44.998194
"372632"	208.943201	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+HCOOH-H"	44.998201
"355418"	222.958851	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+Hac-H"	59.013851
"1498784"	140.986351	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Hac-H"	59.013851
"968517"	148.952651	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-H+NaCOOH"	66.980151
"113048"	116.941902	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+2Cl"	69.938804
"553701"	157.928152	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+2Cl"	69.938804
"1032342"	75.955652	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2Cl"	69.938804
"1241836"	160.891385	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Br"	78.918885
"1305379"	162.947372	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Cl+HCOOH"	80.974872
"1322027"	184.929329	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Cl+NaCOOH"	102.956829
"914181"	194.958086	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M-H+CF3COOH"	112.985586
"1296356"	230.934764	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Cl+CF3COOH"	148.962264
"1378893"	46.959824	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H-2H2O"	-35.012676
"1388735"	64.9698	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H-H2O"	-17.0027
"293892"	164.952276	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+H"	1.007276
"687406"	246.924776	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+H"	1.007276
"1360475"	82.979776	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H"	1.007276
"135549"	82.979776	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+2H"	2.014552
"572923"	123.966026	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+2H"	2.014552
"1045002"	41.993526	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2H"	2.014552
"212903"	55.6556093333333	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+3H"	3.021828
"645174"	82.979776	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+3H"	3.021828
"1164030"	28.3314426666667	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+3H"	3.021828
"431680"	181.978823	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+NH4"	18.033823
"793770"	263.951323	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+NH4"	18.033823
"1689008"	100.006323	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+NH4"	18.033823
"341658"	91.4930495	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+H+NH4"	19.041099
"735174"	132.4792995	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+H+NH4"	19.041099
"1491668"	50.5067995	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H+NH4"	19.041099
"395645"	186.934218	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+Na"	22.989218
"761011"	268.906718	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+Na"	22.989218
"1611297"	104.961718	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Na"	22.989218
"318052"	93.970747	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+H+Na"	23.996494
"717036"	134.956997	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+H+Na"	23.996494
"1468669"	52.984497	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H+Na"	23.996494
"1056451"	35.6587566666667	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2H+Na"	25.00377
"1257517"	115.005986	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+CH3OH+H"	33.033486
"378890"	202.908158	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+K"	38.963158
"740979"	284.880658	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+K"	38.963158
"1541938"	120.935658	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+K"	38.963158
"301301"	101.957717	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+H+K"	39.970434
"691697"	142.943967	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+H+K"	39.970434
"1449736"	60.971467	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H+K"	39.970434
"242714"	205.978826	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+ACN+H"	42.033826
"1212505"	124.006326	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+ACN+H"	42.033826
"1205503"	62.506801	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+ACN+2H"	43.041102
"198738"	208.91616	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+2Na-H"	44.97116
"638299"	290.88866	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+2Na-H"	44.97116
"1140711"	126.94366	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2Na-H"	44.97116
"180722"	104.961718	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+2Na"	45.978436
"615176"	145.947968	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+2Na"	45.978436
"1118316"	63.975468	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2Na"	45.978436
"1400747"	42.9860706666667	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H+2Na"	46.985712
"1432133"	128.985246	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H+HCOOH"	47.012746
"224749"	109.99474	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+3H2O+2H"	56.04448
"1516092"	143.03729	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+IsoProp+H"	61.06479
"412499"	112.948688	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+Na+K"	61.952376
"773497"	153.934938	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+Na+K"	61.952376
"1669098"	71.962438	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Na+K"	61.952376
"255255"	227.960768	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+ACN+Na"	64.015768
"1228691"	145.988268	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+ACN+Na"	64.015768
"1715391"	146.011793	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+NH4+HCOOH"	64.039293
"1185488"	50.3133846666667	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+3Na"	68.967654
"1653558"	150.967188	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Na+HCOOH"	68.994688
"162607"	240.86404	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+2K-H"	76.91904
"599977"	322.83654	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+2K-H"	76.91904
"1087773"	158.89154	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2K-H"	76.91904
"142525"	120.935658	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"2M+2K"	77.926316
"581960"	161.921908	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"3M+2K"	77.926316
"1071583"	79.949408	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2K"	77.926316
"1102607"	160.906092	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2K+H"	78.933592
"1344826"	160.993707	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+DMSO+H"	79.021207
"1006916"	165.032876	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2ACN+H"	83.060376
"1527836"	166.026508	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+IsoProp+Na+H"	84.054008
"990162"	83.020076	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+2ACN+2H"	84.067652
"1588182"	166.941128	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+K+HCOOH"	84.968628
"1415546"	196.972638	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+H+CF3COOH"	115.000138
"1148389"	103.533351	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+3ACN+2H"	125.094202
"1701955"	213.999185	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+NH4+CF3COOH"	132.026685
"1637605"	218.95458	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+Na+CF3COOH"	136.98208
"1577632"	234.92852	"C00094"	"Sulfite;Sulfurous acid"	"H2SO3"	"81.9725"	"M+K+CF3COOH"	152.95602
"807996"	180.0634	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M"	0
"984811"	161.04501	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"70866"	119.034990666667	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"506050"	179.056124	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"884945"	59.0138573333333	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"6801"	179.056124	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"450371"	269.087824	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"823072"	89.024424	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"90716"	359.119524	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"525903"	539.182924	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"902612"	179.056124	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"56986"	376.146071	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"496547"	556.209471	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"873252"	196.082671	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"38967"	381.101466	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"478529"	561.164866	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"849763"	201.038066	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1620029"	201.038066	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"102396"	197.044463	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"541957"	287.076163	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"937661"	107.012763	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"274033"	395.096202	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"671920"	575.159602	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1278856"	215.032802	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"27974"	397.075406	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"468265"	577.138806	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"846068"	217.012006	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1569557"	217.012006	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"951242"	225.061594	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"372739"	405.125001	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351154"	419.140651	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1497801"	239.077251	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"969717"	247.043551	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"113158"	215.032802	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"553811"	305.064502	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1031359"	125.001102	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1242671"	258.982285	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1304639"	261.038272	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1323229"	283.020229	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"914291"	293.048986	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296466"	329.025664	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1379003"	145.050724	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1388845"	163.0607	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"294002"	361.134076	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"682049"	541.197476	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1362773"	181.070676	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"133473"	181.070676	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"573033"	271.102376	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1045111"	91.038976	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"211920"	121.049542666667	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"645281"	181.070676	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1163893"	61.0284093333333	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"431789"	378.160623	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791692"	558.224023	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1686930"	198.097223	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"337393"	189.5839495	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"732003"	279.6156495	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1485822"	99.5522495	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"396847"	383.116018	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"757838"	563.179418	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1608126"	203.052618	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"317434"	192.061647	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"714959"	282.093347	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1462945"	102.029947	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1053236"	68.3557233333333	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1257785"	213.096886	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"377905"	399.089958	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"739263"	579.153358	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1540952"	219.026558	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"298974"	200.048617	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"692375"	290.080317	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1448753"	110.016917	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"243917"	402.160626	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1213708"	222.097226	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1205977"	111.552251	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"198848"	405.09796	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"638409"	585.16136	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1136444"	225.03456	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"176823"	203.052618	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"616016"	293.084318	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1120617"	113.020918	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1399115"	75.6830373333333	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1430785"	227.076146	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"223766"	208.08564	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1514016"	241.12819	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"412609"	211.039588	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"782355"	301.071288	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1668844"	121.007888	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"255729"	424.142568	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1228437"	244.079168	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1715501"	244.102693	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1186691"	83.0103513333333	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1655489"	249.058088	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"162717"	437.04584	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"600453"	617.10924	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1088247"	256.98244	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"142514"	219.026558	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"582196"	309.058258	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1072787"	128.994858	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1102719"	258.996992	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1344936"	259.084607	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1008729"	263.123776	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1526853"	264.117408	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"992210"	132.065526	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1588656"	265.032028	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1416385"	295.063538	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1148863"	152.578801	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1702065"	312.090085	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1638808"	317.04548	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1577742"	333.01942	"C00095"	"D-Fructose;Levulose;Fruit sugar;D-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"808106"	605.0772	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M"	0
"984921"	586.05881	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-H2O-H"	-19.01839
"70976"	402.377524	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M-3H"	-3.021828
"503486"	604.069924	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M-3H"	-3.021828
"881774"	200.685124	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-3H"	-3.021828
"6911"	604.069924	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M-2H"	-2.014552
"447565"	906.608524	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M-2H"	-2.014552
"820995"	301.531324	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-2H"	-2.014552
"87546"	1209.147124	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M-H"	-1.007276
"526013"	1814.224324	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M-H"	-1.007276
"904910"	604.069924	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-H"	-1.007276
"52723"	1226.173671	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+NH4"	16.019271
"497751"	1831.250871	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+NH4"	16.019271
"870083"	621.096471	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-2H+NH4"	16.019271
"40171"	1231.129066	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+Na"	20.974666
"478640"	1836.206266	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+Na"	20.974666
"851335"	626.051866	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-2H+Na"	20.974666
"1620869"	626.051866	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Na-2H"	20.974666
"101413"	622.058263	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M-H+Cl"	33.962126
"538058"	924.596863	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M-H+Cl"	33.962126
"938864"	319.519663	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-H+Cl"	33.962126
"274142"	1245.123802	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+Cl"	34.969402
"672031"	1850.201002	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+Cl"	34.969402
"1282247"	640.046602	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Cl"	34.969402
"29177"	1247.103006	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+K"	36.948606
"469832"	1852.180206	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+K"	36.948606
"846542"	642.025806	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-2H+K"	36.948606
"1571198"	642.025806	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+K-2H"	36.948606
"955728"	650.075394	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-H+HCOOH"	44.998194
"373942"	1255.152601	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+HCOOH-H"	44.998201
"352358"	1269.168251	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+Hac-H"	59.013851
"1496817"	664.091051	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Hac-H"	59.013851
"970921"	672.057351	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-H+NaCOOH"	66.980151
"113268"	640.046602	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+2Cl"	69.938804
"557202"	942.585202	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+2Cl"	69.938804
"1029282"	337.508002	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2Cl"	69.938804
"1242661"	683.996085	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Br"	78.918885
"1306568"	686.052072	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+HCOOH"	80.974872
"1321152"	708.034029	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+NaCOOH"	102.956829
"915494"	718.062786	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M-H+CF3COOH"	112.985586
"1292929"	754.039464	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+CF3COOH"	148.962264
"1374738"	570.064524	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H-2H2O"	-35.012676
"1385674"	588.0745	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H-H2O"	-17.0027
"289737"	1211.161676	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+H"	1.007276
"681067"	1816.238876	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+H"	1.007276
"1359602"	606.084476	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H"	1.007276
"136865"	606.084476	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+2H"	2.014552
"570228"	908.623076	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+2H"	2.014552
"1045224"	303.545876	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2H"	2.014552
"210938"	404.392076	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+3H"	3.021828
"645391"	606.084476	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+3H"	3.021828
"1163638"	202.699676	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+3H"	3.021828
"428983"	1228.188223	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+NH4"	18.033823
"793988"	1833.265423	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+NH4"	18.033823
"1688134"	623.111023	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+NH4"	18.033823
"334587"	614.5977495	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+H+NH4"	19.041099
"727372"	917.1363495	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+H+NH4"	19.041099
"1483745"	312.0591495	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H+NH4"	19.041099
"394036"	1233.143618	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+Na"	22.989218
"757219"	1838.220818	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+Na"	22.989218
"1606045"	628.066418	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Na"	22.989218
"319368"	617.075447	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+H+Na"	23.996494
"711789"	919.614047	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+H+Na"	23.996494
"1464514"	314.536847	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H+Na"	23.996494
"1053509"	210.02699	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2H+Na"	25.00377
"1257490"	638.110686	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+CH3OH+H"	33.033486
"377325"	1249.117558	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+K"	38.963158
"738802"	1854.194758	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+K"	38.963158
"1540699"	644.040358	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+K"	38.963158
"298924"	625.062417	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+H+K"	39.970434
"695038"	927.601017	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+H+K"	39.970434
"1451049"	322.523817	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H+K"	39.970434
"245121"	1252.188226	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+H"	42.033826
"1214547"	647.111026	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+H"	42.033826
"1206087"	324.059151	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+2H"	43.041102
"198958"	1255.12556	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na-H"	44.97116
"638519"	1860.20276	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na-H"	44.97116
"1137282"	650.04836	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2Na-H"	44.97116
"177661"	628.066418	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na"	45.978436
"617219"	930.605018	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na"	45.978436
"1119631"	325.527818	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2Na"	45.978436
"1403154"	217.354304	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H+2Na"	46.985712
"1433447"	652.089946	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H+HCOOH"	47.012746
"223876"	633.09944	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+3H2O+2H"	56.04448
"1511939"	666.14199	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+H"	61.06479
"409438"	636.053388	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+Na+K"	61.952376
"777362"	938.591988	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+Na+K"	61.952376
"1666761"	333.514788	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Na+K"	61.952376
"253286"	1274.170168	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+Na"	64.015768
"1226359"	669.092968	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+Na"	64.015768
"1713788"	669.116493	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+HCOOH"	64.039293
"1185708"	224.681618	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+3Na"	68.967654
"1655234"	674.071888	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Na+HCOOH"	68.994688
"161734"	1287.07344	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+2K-H"	76.91904
"600566"	1892.15064	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+2K-H"	76.91904
"1087265"	681.99624	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2K-H"	76.91904
"148820"	644.040358	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"2M+2K"	77.926316
"584008"	946.578958	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"3M+2K"	77.926316
"1073990"	341.501758	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2K"	77.926316
"1102824"	684.010792	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2K+H"	78.933592
"1337021"	684.098407	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+DMSO+H"	79.021207
"1008839"	688.137576	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+H"	83.060376
"1528056"	689.131208	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+Na+H"	84.054008
"993413"	344.572426	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+2H"	84.067652
"1588766"	690.045828	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+K+HCOOH"	84.968628
"1415402"	720.077338	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+H+CF3COOH"	115.000138
"1147881"	365.085701	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+3ACN+2H"	125.094202
"1705455"	737.103885	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+CF3COOH"	132.026685
"1638918"	742.05928	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+Na+CF3COOH"	136.98208
"1577852"	758.03322	"C00096"	"GDP-mannose;GDP-D-mannose;GDP-alpha-D-mannose"	"C16H25N5O16P2"	"605.0772"	"M+K+CF3COOH"	152.95602
"808216"	121.0197	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M"	0
"987218"	102.00131	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H2O-H"	-19.01839
"74367"	79.672524	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-3H"	-3.021828
"508459"	120.012424	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-3H"	-3.021828
"882980"	39.332624	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-3H"	-3.021828
"12489"	120.012424	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H"	-2.014552
"450955"	180.522274	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H"	-2.014552
"820011"	59.502574	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H"	-2.014552
"93853"	241.032124	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-H"	-1.007276
"529404"	362.051824	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-H"	-1.007276
"902834"	120.012424	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H"	-1.007276
"56116"	258.058671	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+NH4"	16.019271
"493488"	379.078371	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+NH4"	16.019271
"873476"	137.038971	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+NH4"	16.019271
"37004"	263.014066	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+Na"	20.974666
"483125"	384.033766	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+Na"	20.974666
"851445"	141.994366	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+Na"	20.974666
"1623896"	141.994366	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na-2H"	20.974666
"100430"	138.000763	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-H+Cl"	33.962126
"537804"	198.510613	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-H+Cl"	33.962126
"936789"	77.490913	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+Cl"	33.962126
"275346"	277.008802	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Cl"	34.969402
"672141"	398.028502	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Cl"	34.969402
"1282357"	155.989102	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl"	34.969402
"19446"	278.988006	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+K"	36.948606
"461192"	400.007706	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+K"	36.948606
"837901"	157.968306	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+K"	36.948606
"1569047"	157.968306	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K-2H"	36.948606
"955838"	166.017894	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+HCOOH"	44.998194
"372961"	287.037601	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+HCOOH-H"	44.998201
"352470"	301.053251	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Hac-H"	59.013851
"1498020"	180.033551	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Hac-H"	59.013851
"969937"	187.999851	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+NaCOOH"	66.980151
"119937"	155.989102	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Cl"	69.938804
"550873"	216.498952	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Cl"	69.938804
"1026113"	95.479252	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Cl"	69.938804
"1248977"	199.938585	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Br"	78.918885
"1305225"	201.994572	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+HCOOH"	80.974872
"1320899"	223.976529	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+NaCOOH"	102.956829
"918884"	234.005286	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+CF3COOH"	112.985586
"1294500"	269.981964	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+CF3COOH"	148.962264
"1374849"	86.007024	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H-2H2O"	-35.012676
"1389066"	104.017	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H-H2O"	-17.0027
"287661"	243.046676	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H"	1.007276
"678990"	364.066376	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H"	1.007276
"1360805"	122.026976	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H"	1.007276
"138069"	122.026976	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2H"	2.014552
"573255"	182.536826	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2H"	2.014552
"1045334"	61.517126	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2H"	2.014552
"215422"	81.687076	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+3H"	3.021828
"645866"	122.026976	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+3H"	3.021828
"1164719"	41.347176	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3H"	3.021828
"429093"	260.073223	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+NH4"	18.033823
"791914"	381.092923	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+NH4"	18.033823
"1688244"	139.053523	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4"	18.033823
"337613"	130.5402495	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+NH4"	19.041099
"727481"	191.0500995	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+NH4"	19.041099
"1483855"	70.0303995	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+NH4"	19.041099
"397069"	265.028618	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Na"	22.989218
"760248"	386.048318	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Na"	22.989218
"1607253"	144.008918	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na"	22.989218
"317290"	133.017947	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+Na"	23.996494
"715180"	193.527797	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+Na"	23.996494
"1467906"	72.508097	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+Na"	23.996494
"1053374"	48.67449	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2H+Na"	25.00377
"1258092"	154.053186	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+CH3OH+H"	33.033486
"377759"	281.002558	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+K"	38.963158
"741309"	402.022258	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+K"	38.963158
"1542635"	159.982858	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K"	38.963158
"302728"	141.004917	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+K"	39.970434
"696242"	201.514767	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+K"	39.970434
"1452255"	80.495067	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+K"	39.970434
"246324"	284.073226	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+ACN+H"	42.033826
"1223044"	163.053526	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+H"	42.033826
"1208751"	82.030401	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+2H"	43.041102
"203447"	287.01056	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Na-H"	44.97116
"643009"	408.03026	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Na-H"	44.97116
"1145903"	165.99086	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Na-H"	44.97116
"181053"	144.008918	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Na"	45.978436
"617332"	204.518768	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Na"	45.978436
"1123025"	83.499068	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Na"	45.978436
"1402174"	56.001804	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+2Na"	46.985712
"1433196"	168.032446	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+HCOOH"	47.012746
"222892"	149.04194	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+3H2O+2H"	56.04448
"1510956"	182.08449	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+IsoProp+H"	61.06479
"409184"	151.995888	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Na+K"	61.952376
"774556"	212.505738	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Na+K"	61.952376
"1667970"	91.486038	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+K"	61.952376
"252055"	306.055168	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+ACN+Na"	64.015768
"1232303"	185.035468	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+Na"	64.015768
"1715358"	185.058993	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4+HCOOH"	64.039293
"1183266"	63.329118	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3Na"	68.967654
"1654979"	190.014388	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+HCOOH"	68.994688
"160385"	318.95844	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2K-H"	76.91904
"603225"	439.97814	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2K-H"	76.91904
"1091020"	197.93874	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K-H"	76.91904
"142854"	159.982858	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2K"	77.926316
"583024"	220.492708	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2K"	77.926316
"1073000"	99.473008	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K"	77.926316
"1101836"	199.953292	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K+H"	78.933592
"1342604"	200.040907	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+DMSO+H"	79.021207
"1013324"	204.080076	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2ACN+H"	83.060376
"1527075"	205.073708	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+IsoProp+Na+H"	84.054008
"992794"	102.543676	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2ACN+2H"	84.067652
"1590215"	205.988328	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K+HCOOH"	84.968628
"1415269"	236.019838	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+CF3COOH"	115.000138
"1149084"	123.056951	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3ACN+2H"	125.094202
"1705565"	253.046385	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4+CF3COOH"	132.026685
"1639028"	258.00178	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+CF3COOH"	136.98208
"1577962"	273.97572	"C00097"	"L-Cysteine;L-2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K+CF3COOH"	152.95602
"805047"	89.0477	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M"	0
"986964"	70.02931	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"76300"	58.3578573333333	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"512942"	88.040424	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"885276"	28.6752906666667	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"7130"	88.040424	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"452158"	132.564274	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"825589"	43.516574	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"88860"	177.088124	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"528422"	266.135824	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"905132"	88.040424	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"58413"	194.114671	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"496875"	283.162371	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"874677"	105.066971	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"42578"	199.070066	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"476670"	288.117766	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"853744"	110.022366	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1629482"	110.022366	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"98355"	106.028763	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"543383"	150.552613	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"935804"	61.504913	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"273269"	213.064802	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"665691"	302.112502	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1275908"	124.017102	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"18098"	215.044006	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"458752"	304.091706	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"843483"	125.996306	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1563692"	125.996306	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"949386"	134.045894	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"366508"	223.093601	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"350393"	237.109251	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1495945"	148.061551	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"961300"	156.027851	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"116767"	124.017102	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"554144"	168.540952	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1029510"	79.493252	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1246901"	167.966585	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1304973"	170.022572	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1325754"	192.004529	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"915716"	202.033286	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1290601"	238.009964	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1372771"	54.035024	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1389176"	72.045	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"294332"	179.102676	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"683470"	268.150376	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1354719"	90.054976	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"139271"	90.054976	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"572272"	134.578826	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1045444"	45.531126	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"207882"	60.3724093333333	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"644887"	90.054976	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1164103"	30.6898426666667	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"431027"	196.129223	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"790929"	285.176923	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1690539"	107.081523	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"336632"	98.5682495	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"726134"	143.0920995	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1479590"	54.0443995	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"395713"	201.084618	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"756709"	290.132318	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1604810"	112.036918	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"317402"	101.045947	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"714197"	145.569797	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1461824"	56.522097	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1052956"	38.0171566666667	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1258201"	122.081186	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"380423"	217.058558	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"743606"	306.106258	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1540555"	128.010858	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"302837"	109.032917	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"698542"	153.556767	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1456739"	64.509067	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"244247"	220.129226	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1223034"	131.081526	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1209226"	66.044401	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
"202218"	223.06656	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+2Na-H"	44.97116
"644050"	312.11426	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+2Na-H"	44.97116
"1142247"	134.01886	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"183349"	112.036918	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"624975"	156.560768	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1123134"	67.513068	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1406656"	45.3444706666667	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1434035"	136.060446	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"222274"	117.06994	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1514713"	150.11249	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"415132"	120.023888	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"777220"	164.547738	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1668445"	75.500038	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"252048"	242.111168	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1230590"	153.063468	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1716197"	153.086993	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1184834"	52.6717846666667	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1652540"	158.042388	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"158674"	255.01444	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"599690"	344.06214	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1084400"	165.96674	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"143571"	128.010858	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"582525"	172.534708	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1072017"	83.487008	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1100250"	167.981292	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1340530"	168.068907	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1012340"	172.108076	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1531558"	173.101708	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"994726"	86.557676	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1591423"	174.016328	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1416356"	204.047838	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1158313"	107.070951	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1705677"	221.074385	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1646796"	226.02978	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1578073"	242.00372	"C00099"	"beta-Alanine;3-Aminopropionic acid;3-Aminopropanoate"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"802241"	823.1414	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M"	0
"987438"	804.12301	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-H2O-H"	-19.01839
"73493"	547.753657333333	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M-3H"	-3.021828
"509772"	822.134124	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M-3H"	-3.021828
"885386"	273.373190666667	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-3H"	-3.021828
"8334"	822.134124	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M-2H"	-2.014552
"451175"	1233.704824	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M-2H"	-2.014552
"831411"	410.563424	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-2H"	-2.014552
"91158"	1645.275524	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M-H"	-1.007276
"527439"	2468.416924	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M-H"	-1.007276
"905243"	822.134124	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-H"	-1.007276
"57430"	1662.302071	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M-2H+NH4"	16.019271
"500757"	2485.443471	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M-2H+NH4"	16.019271
"875883"	839.160671	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-2H+NH4"	16.019271
"45735"	1667.257466	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M-2H+Na"	20.974666
"480061"	2490.398866	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M-2H+Na"	20.974666
"856772"	844.116066	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-2H+Na"	20.974666
"1629228"	844.116066	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Na-2H"	20.974666
"99559"	840.122463	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M-H+Cl"	33.962126
"541306"	1251.693163	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M-H+Cl"	33.962126
"935914"	428.551763	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-H+Cl"	33.962126
"274471"	1681.252202	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+Cl"	34.969402
"662521"	2504.393602	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+Cl"	34.969402
"1276017"	858.110802	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Cl"	34.969402
"22948"	1683.231406	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M-2H+K"	36.948606
"457404"	2506.372806	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M-2H+K"	36.948606
"833749"	860.090006	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-2H+K"	36.948606
"1567084"	860.090006	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+K-2H"	36.948606
"956061"	868.139594	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-H+HCOOH"	44.998194
"367713"	1691.281001	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+HCOOH-H"	44.998201
"358158"	1705.296651	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+Hac-H"	59.013851
"1504804"	882.155251	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Hac-H"	59.013851
"971983"	890.121551	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-H+NaCOOH"	66.980151
"121251"	858.110802	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+2Cl"	69.938804
"552431"	1269.681502	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+2Cl"	69.938804
"1031807"	446.540102	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2Cl"	69.938804
"1247011"	902.060285	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Br"	78.918885
"1305083"	904.116272	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Cl+HCOOH"	80.974872
"1326956"	926.098229	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Cl+NaCOOH"	102.956829
"914734"	936.126986	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M-H+CF3COOH"	112.985586
"1291440"	972.103664	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Cl+CF3COOH"	148.962264
"1370695"	788.128724	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H-2H2O"	-35.012676
"1387101"	806.1387	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H-H2O"	-17.0027
"291159"	1647.290076	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+H"	1.007276
"680300"	2470.431476	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+H"	1.007276
"1358837"	824.148676	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H"	1.007276
"130632"	824.148676	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+2H"	2.014552
"577849"	1235.719376	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+2H"	2.014552
"1042274"	412.577976	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2H"	2.014552
"205678"	549.768209333333	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+3H"	3.021828
"650834"	824.148676	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+3H"	3.021828
"1168959"	275.387742666667	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+3H"	3.021828
"429678"	1664.316623	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+NH4"	18.033823
"795413"	2487.458023	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+NH4"	18.033823
"1689558"	841.175223	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+NH4"	18.033823
"338929"	832.6619495	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+H+NH4"	19.041099
"731350"	1244.2326495	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+H+NH4"	19.041099
"1485169"	421.0912495	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H+NH4"	19.041099
"400568"	1669.272018	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+Na"	22.989218
"756096"	2492.413418	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+Na"	22.989218
"1606382"	846.130618	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Na"	22.989218
"320793"	835.139647	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+H+Na"	23.996494
"711027"	1246.710347	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+H+Na"	23.996494
"1461852"	423.568947	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H+Na"	23.996494
"1053720"	282.715056666667	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2H+Na"	25.00377
"1258802"	856.174886	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+CH3OH+H"	33.033486
"380534"	1685.245958	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+K"	38.963158
"743717"	2508.387358	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+K"	38.963158
"1543585"	862.104558	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+K"	38.963158
"305138"	843.126617	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+H+K"	39.970434
"698657"	1254.697317	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+H+K"	39.970434
"1459649"	431.555917	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H+K"	39.970434
"248370"	1688.316626	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+ACN+H"	42.033826
"1221447"	865.175226	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+ACN+H"	42.033826
"1207881"	433.091251	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+ACN+2H"	43.041102
"202092"	1691.25396	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+2Na-H"	44.97116
"641771"	2514.39536	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+2Na-H"	44.97116
"1141262"	868.11256	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2Na-H"	44.97116
"184188"	846.130618	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+2Na"	45.978436
"627154"	1257.701318	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+2Na"	45.978436
"1128347"	434.559918	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2Na"	45.978436
"1406768"	290.042370666667	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H+2Na"	46.985712
"1442167"	870.154146	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H+HCOOH"	47.012746
"226395"	851.16364	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+3H2O+2H"	56.04448
"1515552"	884.20619	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+IsoProp+H"	61.06479
"416336"	854.117588	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+Na+K"	61.952376
"779517"	1265.688288	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+Na+K"	61.952376
"1671472"	442.546888	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Na+K"	61.952376
"257992"	1710.298568	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+ACN+Na"	64.015768
"1229975"	887.157168	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+ACN+Na"	64.015768
"1718498"	887.180693	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+NH4+HCOOH"	64.039293
"1184948"	297.369684666667	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+3Na"	68.967654
"1654841"	892.136088	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Na+HCOOH"	68.994688
"159516"	1723.20184	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+2K-H"	76.91904
"602356"	2546.34324	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+2K-H"	76.91904
"1087233"	900.06044	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2K-H"	76.91904
"143684"	862.104558	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"2M+2K"	77.926316
"583245"	1273.675258	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"3M+2K"	77.926316
"1069210"	450.533858	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2K"	77.926316
"1101333"	902.074992	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2K+H"	78.933592
"1336748"	902.162607	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+DMSO+H"	79.021207
"1006977"	906.201776	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2ACN+H"	83.060376
"1525104"	907.195408	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+IsoProp+Na+H"	84.054008
"991553"	453.604526	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+2ACN+2H"	84.067652
"1593720"	908.110028	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+K+HCOOH"	84.968628
"1415008"	938.141538	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+H+CF3COOH"	115.000138
"1158423"	474.117801	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+3ACN+2H"	125.094202
"1705787"	955.168085	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+NH4+CF3COOH"	132.026685
"1646906"	960.12348	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+Na+CF3COOH"	136.98208
"1578183"	976.09742	"C00100"	"Propanoyl-CoA;Propionyl-CoA;Propionyl coenzyme A"	"C24H40N7O17P3S"	"823.1414"	"M+K+CF3COOH"	152.95602
"810735"	445.171	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M"	0
"987184"	426.15261	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-H2O-H"	-19.01839
"73603"	295.773390666667	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M-3H"	-3.021828
"509882"	444.163724	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M-3H"	-3.021828
"885496"	147.383057333333	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-3H"	-3.021828
"8444"	444.163724	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M-2H"	-2.014552
"451284"	666.749224	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M-2H"	-2.014552
"830911"	221.578224	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-2H"	-2.014552
"91268"	889.334724	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M-H"	-1.007276
"527549"	1334.505724	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M-H"	-1.007276
"908268"	444.163724	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-H"	-1.007276
"60821"	906.361271	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M-2H+NH4"	16.019271
"501842"	1351.532271	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M-2H+NH4"	16.019271
"874900"	461.190271	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-2H+NH4"	16.019271
"43169"	911.316666	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M-2H+Na"	20.974666
"479078"	1356.487666	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M-2H+Na"	20.974666
"856881"	466.145666	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-2H+Na"	20.974666
"1628609"	466.145666	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Na-2H"	20.974666
"97846"	462.152063	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M-H+Cl"	33.962126
"536314"	684.737563	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M-H+Cl"	33.962126
"932745"	239.566563	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-H+Cl"	33.962126
"276768"	925.311402	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+Cl"	34.969402
"663724"	1370.482402	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+Cl"	34.969402
"1277220"	480.140402	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Cl"	34.969402
"19777"	927.290606	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M-2H+K"	36.948606
"457636"	1372.461606	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M-2H+K"	36.948606
"833249"	482.119606	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-2H+K"	36.948606
"1555809"	482.119606	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+K-2H"	36.948606
"953984"	490.169194	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-H+HCOOH"	44.998194
"372198"	935.340201	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+HCOOH-H"	44.998201
"354988"	949.355851	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+Hac-H"	59.013851
"1503821"	504.184851	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Hac-H"	59.013851
"972458"	512.151151	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-H+NaCOOH"	66.980151
"124642"	480.140402	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+2Cl"	69.938804
"555457"	702.725902	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+2Cl"	69.938804
"1034834"	257.554902	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2Cl"	69.938804
"1246028"	524.089885	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Br"	78.918885
"1311755"	526.145872	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Cl+HCOOH"	80.974872
"1329252"	548.127829	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Cl+NaCOOH"	102.956829
"919217"	558.156586	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M-H+CF3COOH"	112.985586
"1293739"	594.133264	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Cl+CF3COOH"	148.962264
"1372994"	410.158324	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H-2H2O"	-35.012676
"1388305"	428.1683	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H-H2O"	-17.0027
"292363"	891.349276	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+H"	1.007276
"682598"	1336.520276	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+H"	1.007276
"1360042"	446.178276	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H"	1.007276
"136211"	446.178276	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+2H"	2.014552
"574679"	668.763776	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+2H"	2.014552
"1045665"	223.592776	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2H"	2.014552
"205911"	297.787942666667	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+3H"	3.021828
"650944"	446.178276	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+3H"	3.021828
"1167246"	149.397609333333	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+3H"	3.021828
"432341"	908.375823	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+NH4"	18.033823
"795524"	1353.546823	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+NH4"	18.033823
"1687480"	463.204823	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+NH4"	18.033823
"339039"	454.6915495	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+H+NH4"	19.041099
"728179"	677.2770495	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+H+NH4"	19.041099
"1480906"	232.1060495	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H+NH4"	19.041099
"397398"	913.331218	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+Na"	22.989218
"757301"	1358.502218	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+Na"	22.989218
"1606491"	468.160218	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Na"	22.989218
"317622"	457.169247	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+H+Na"	23.996494
"710040"	679.754747	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+H+Na"	23.996494
"1463136"	234.583747	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H+Na"	23.996494
"1053831"	156.724923333333	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2H+Na"	25.00377
"1259518"	478.204486	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+CH3OH+H"	33.033486
"379553"	929.305158	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+K"	38.963158
"742735"	1374.476158	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+K"	38.963158
"1544791"	484.134158	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+K"	38.963158
"306342"	465.156217	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+H+K"	39.970434
"702047"	687.741717	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+H+K"	39.970434
"1459880"	242.570717	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H+K"	39.970434
"249575"	932.375826	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+ACN+H"	42.033826
"1222651"	487.204826	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+ACN+H"	42.033826
"1207625"	244.106051	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+ACN+2H"	43.041102
"202445"	935.31316	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+2Na-H"	44.97116
"642732"	1380.48416	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+2Na-H"	44.97116
"1142467"	490.14216	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2Na-H"	44.97116
"187707"	468.160218	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+2Na"	45.978436
"625317"	690.745718	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+2Na"	45.978436
"1128822"	245.574718	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2Na"	45.978436
"1409065"	164.052237333333	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H+2Na"	46.985712
"1440091"	492.183746	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H+HCOOH"	47.012746
"227599"	473.19324	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+3H2O+2H"	56.04448
"1516755"	506.23579	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+IsoProp+H"	61.06479
"414257"	476.147188	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+Na+K"	61.952376
"773063"	698.732688	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+Na+K"	61.952376
"1667572"	253.561688	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Na+K"	61.952376
"253728"	954.357768	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+ACN+Na"	64.015768
"1231177"	509.186768	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+ACN+Na"	64.015768
"1717147"	509.210293	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+NH4+HCOOH"	64.039293
"1185058"	171.379551333333	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+3Na"	68.967654
"1653858"	514.165688	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Na+HCOOH"	68.994688
"158533"	967.26104	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+2K-H"	76.91904
"601373"	1412.43204	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+2K-H"	76.91904
"1085885"	522.09004	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2K-H"	76.91904
"142701"	484.134158	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"2M+2K"	77.926316
"581652"	706.719658	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"3M+2K"	77.926316
"1068957"	261.548658	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2K"	77.926316
"1111285"	524.104592	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2K+H"	78.933592
"1336372"	524.192207	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+DMSO+H"	79.021207
"1007331"	528.231376	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2ACN+H"	83.060376
"1524968"	529.225008	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+IsoProp+Na+H"	84.054008
"991663"	264.619326	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+2ACN+2H"	84.067652
"1594923"	530.139628	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+K+HCOOH"	84.968628
"1415118"	560.171138	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+H+CF3COOH"	115.000138
"1158533"	285.132601	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+3ACN+2H"	125.094202
"1705897"	577.197685	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+NH4+CF3COOH"	132.026685
"1647016"	582.15308	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+Na+CF3COOH"	136.98208
"1578293"	598.12702	"C00101"	"Tetrahydrofolate;5678-Tetrahydrofolate;Tetrahydrofolic acid;THF;(6S)-Tetrahydrofolate;(6S)-Tetrahydrofolic acid;(6S)-THFA"	"C19H23N7O6"	"445.171"	"M+K+CF3COOH"	152.95602
"803189"	266.9854	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M"	0
"987658"	247.96701	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-H2O-H"	-19.01839
"68245"	176.982990666667	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M-3H"	-3.021828
"512179"	265.978124	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M-3H"	-3.021828
"886700"	87.9878573333333	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-3H"	-3.021828
"9647"	265.978124	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M-2H"	-2.014552
"453461"	399.470824	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M-2H"	-2.014552
"829199"	132.485424	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-2H"	-2.014552
"92473"	532.963524	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M-H"	-1.007276
"532034"	799.948924	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M-H"	-1.007276
"909473"	265.978124	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-H"	-1.007276
"61905"	549.990071	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M-2H+NH4"	16.019271
"502073"	816.975471	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M-2H+NH4"	16.019271
"876835"	283.004671	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-2H+NH4"	16.019271
"45832"	554.945466	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M-2H+Na"	20.974666
"478095"	821.930866	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M-2H+Na"	20.974666
"860272"	287.960066	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-2H+Na"	20.974666
"1630541"	287.960066	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Na-2H"	20.974666
"101966"	283.966463	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M-H+Cl"	33.962126
"537153"	417.459163	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M-H+Cl"	33.962126
"936135"	150.473763	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-H+Cl"	33.962126
"276878"	568.940202	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+Cl"	34.969402
"669302"	835.925602	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+Cl"	34.969402
"1276238"	301.954802	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Cl"	34.969402
"23168"	570.919406	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M-2H+K"	36.948606
"461635"	837.904806	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M-2H+K"	36.948606
"837249"	303.934006	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-2H+K"	36.948606
"1558553"	303.934006	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+K-2H"	36.948606
"954095"	311.983594	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-H+HCOOH"	44.998194
"370121"	578.969001	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+HCOOH-H"	44.998201
"359472"	592.984651	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+Hac-H"	59.013851
"1505755"	325.999251	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Hac-H"	59.013851
"973178"	333.965551	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-H+NaCOOH"	66.980151
"122566"	301.954802	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+2Cl"	69.938804
"555567"	435.447502	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+2Cl"	69.938804
"1029839"	168.462102	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2Cl"	69.938804
"1247231"	345.904285	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Br"	78.918885
"1311865"	347.960272	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Cl+HCOOH"	80.974872
"1328269"	369.942229	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Cl+NaCOOH"	102.956829
"918234"	379.970986	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M-H+CF3COOH"	112.985586
"1291299"	415.947664	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Cl+CF3COOH"	148.962264
"1369095"	231.972724	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H-2H2O"	-35.012676
"1389507"	249.9827	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H-H2O"	-17.0027
"287370"	534.978076	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+H"	1.007276
"684896"	801.963476	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+H"	1.007276
"1357963"	267.992676	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H"	1.007276
"131948"	267.992676	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+2H"	2.014552
"576975"	401.485376	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+2H"	2.014552
"1041036"	134.499976	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2H"	2.014552
"205778"	178.997542666667	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+3H"	3.021828
"647774"	267.992676	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+3H"	3.021828
"1165166"	90.0024093333333	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+3H"	3.021828
"431358"	552.004623	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+NH4"	18.033823
"793447"	818.990023	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+NH4"	18.033823
"1687590"	285.019223	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+NH4"	18.033823
"335868"	276.5059495	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+H+NH4"	19.041099
"726102"	409.9986495	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+H+NH4"	19.041099
"1484296"	143.0132495	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H+NH4"	19.041099
"393006"	556.960018	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+Na"	22.989218
"754493"	823.945418	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+Na"	22.989218
"1603028"	289.974618	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Na"	22.989218
"314571"	278.983647	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+H+Na"	23.996494
"707596"	412.476347	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+H+Na"	23.996494
"1461665"	145.490947	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H+Na"	23.996494
"1053699"	97.3297233333333	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2H+Na"	25.00377
"1259265"	300.018886	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+CH3OH+H"	33.033486
"381852"	572.933958	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+K"	38.963158
"743937"	839.919358	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+K"	38.963158
"1545994"	305.948558	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+K"	38.963158
"310463"	286.970617	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+H+K"	39.970434
"705437"	420.463317	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+H+K"	39.970434
"1460963"	153.477917	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H+K"	39.970434
"251147"	576.004626	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+ACN+H"	42.033826
"1224829"	309.019226	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+ACN+H"	42.033826
"1208465"	155.013251	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+ACN+2H"	43.041102
"203407"	578.94196	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+2Na-H"	44.97116
"641262"	845.92736	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+2Na-H"	44.97116
"1145858"	311.95656	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2Na-H"	44.97116
"185870"	289.974618	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+2Na"	45.978436
"628190"	423.467318	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+2Na"	45.978436
"1126746"	156.481918	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2Na"	45.978436
"1409904"	104.657037333333	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H+2Na"	46.985712
"1436919"	313.998146	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H+HCOOH"	47.012746
"227709"	295.00764	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+3H2O+2H"	56.04448
"1516869"	328.05019	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+IsoProp+H"	61.06479
"411451"	297.961588	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+Na+K"	61.952376
"771350"	431.454288	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+Na+K"	61.952376
"1668051"	164.468888	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Na+K"	61.952376
"254937"	597.986568	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+ACN+Na"	64.015768
"1230196"	331.001168	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+ACN+Na"	64.015768
"1718718"	331.024693	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+NH4+HCOOH"	64.039293
"1182252"	111.984351333333	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+3Na"	68.967654
"1651782"	335.980088	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Na+HCOOH"	68.994688
"166298"	610.88984	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+2K-H"	76.91904
"600391"	877.87524	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+2K-H"	76.91904
"1087090"	343.90444	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2K-H"	76.91904
"149373"	305.948558	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"2M+2K"	77.926316
"582614"	439.441258	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"3M+2K"	77.926316
"1069676"	172.455858	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2K"	77.926316
"1103376"	345.918992	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2K+H"	78.933592
"1336107"	346.006607	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+DMSO+H"	79.021207
"1006101"	350.045776	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2ACN+H"	83.060376
"1524710"	351.039408	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+IsoProp+Na+H"	84.054008
"990674"	175.526526	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+2ACN+2H"	84.067652
"1588832"	351.954028	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+K+HCOOH"	84.968628
"1417414"	381.985538	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+H+CF3COOH"	115.000138
"1158643"	196.039801	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+3ACN+2H"	125.094202
"1706007"	399.012085	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+NH4+CF3COOH"	132.026685
"1647126"	403.96748	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+Na+CF3COOH"	136.98208
"1578403"	419.94142	"C00102"	"26-Dichloroindophenol;26-Dichlorophenolindophenol;DCIP"	"C12H7Cl2NO2"	"266.9854"	"M+K+CF3COOH"	152.95602
"810955"	260.0297	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"987768"	241.01131	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"68355"	172.345857333333	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"512289"	259.022424	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"890090"	85.6692906666667	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"8664"	259.022424	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"453693"	389.037274	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"829310"	129.007574	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"91491"	519.052124	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"532996"	779.081824	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"909947"	259.022424	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"62133"	536.078671	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"502344"	796.108371	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"877310"	276.048971	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"45577"	541.034066	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"482580"	801.063766	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"859289"	281.004366	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1631014"	281.004366	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"103168"	277.010763	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"540545"	407.025613	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"935151"	146.995913	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"276989"	555.028802	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"669412"	815.058502	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1282909"	294.999102	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"23279"	557.008006	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"459558"	817.037706	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"835171"	296.978306	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1561943"	296.978306	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"954204"	305.027894	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"369137"	565.057601	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"359582"	579.073251	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1505134"	319.043551	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"973164"	327.009851	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"122675"	294.999102	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"555677"	425.013952	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1026669"	164.984252	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1244059"	338.948585	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1311975"	341.004572	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1326192"	362.986529	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"912877"	373.015286	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1295055"	408.991964	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1370299"	225.017024	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1390712"	243.027	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"286388"	521.066676	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"679172"	781.096376	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1360261"	261.036976	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"132059"	261.036976	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"575992"	391.051826	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1039691"	131.022126	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"206497"	174.360409333333	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"650070"	261.036976	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1165276"	87.6838426666667	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"431468"	538.093223	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"793558"	798.122923	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1688795"	278.063523	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"338165"	269.5502495	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"731680"	399.5650995	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1486594"	139.5353995	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"393730"	543.048618	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"756427"	803.078318	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1607806"	283.018918	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"314805"	272.027947	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"707955"	402.042797	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1462504"	142.013097	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054053"	95.0111566666667	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1261199"	293.063186	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"380868"	559.022558	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"746239"	819.052258	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1548292"	298.992858	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"313815"	280.014917	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"706280"	410.029767	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1461307"	150.000067	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"251254"	562.093226	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1225461"	302.063526	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1209633"	151.535401	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"204090"	565.03056	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"643993"	825.06026	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1146753"	305.00086	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"187924"	283.018918	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"625539"	413.033768	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1128679"	153.004068	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1409285"	102.338470666667	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1437029"	307.042446	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"231099"	288.05194	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1514792"	321.09449	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"413386"	291.005888	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"772189"	421.020738	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1668162"	160.991038	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"257233"	584.075168	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1231037"	324.045468	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1717735"	324.068993	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1187466"	109.665784666667	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1655172"	329.024388	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"168594"	596.97844	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"602688"	857.00814	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1092667"	336.94874	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"150577"	298.992858	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"584669"	429.007708	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1069660"	168.978008	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1100319"	338.963292	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1336096"	339.050907	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1006453"	343.090076	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1525918"	344.083708	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"990907"	172.048676	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1590768"	344.998328	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1425179"	375.029838	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1153284"	192.561951	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1702835"	392.056385	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1635570"	397.01178	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1578513"	412.98572	"C00103"	"D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"803410"	428.0134	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M"	0
"985690"	408.99501	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-H2O-H"	-19.01839
"68465"	284.334990666667	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M-3H"	-3.021828
"509118"	427.006124	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M-3H"	-3.021828
"888012"	141.663857333333	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-3H"	-3.021828
"8774"	427.006124	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M-2H"	-2.014552
"451614"	641.012824	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M-2H"	-2.014552
"831972"	212.999424	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-2H"	-2.014552
"89415"	855.019524	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M-H"	-1.007276
"533714"	1283.032924	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M-H"	-1.007276
"911194"	427.006124	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-H"	-1.007276
"62570"	872.046071	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M-2H+NH4"	16.019271
"502048"	1300.059471	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M-2H+NH4"	16.019271
"878879"	444.032671	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-2H+NH4"	16.019271
"44957"	877.001466	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M-2H+Na"	20.974666
"481597"	1305.014866	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M-2H+Na"	20.974666
"857212"	448.988066	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-2H+Na"	20.974666
"1627844"	448.988066	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Na-2H"	20.974666
"99999"	444.994463	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M-H+Cl"	33.962126
"536644"	659.001163	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M-H+Cl"	33.962126
"931982"	230.987763	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-H+Cl"	33.962126
"274184"	890.996202	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+Cl"	34.969402
"671710"	1319.009602	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+Cl"	34.969402
"1283019"	462.982802	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Cl"	34.969402
"23389"	892.975406	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M-2H+K"	36.948606
"458575"	1320.988806	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M-2H+K"	36.948606
"834795"	464.962006	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-2H+K"	36.948606
"1562053"	464.962006	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+K-2H"	36.948606
"955042"	473.011594	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-H+HCOOH"	44.998194
"370341"	901.025001	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+HCOOH-H"	44.998201
"356411"	915.040651	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+Hac-H"	59.013851
"1501964"	487.027251	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Hac-H"	59.013851
"971329"	494.993551	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-H+NaCOOH"	66.980151
"119505"	462.982802	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+2Cl"	69.938804
"555787"	676.989502	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+2Cl"	69.938804
"1023863"	248.976102	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2Cl"	69.938804
"1243440"	506.932285	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Br"	78.918885
"1312085"	508.988272	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Cl+HCOOH"	80.974872
"1323021"	530.970229	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Cl+NaCOOH"	102.956829
"914445"	540.998986	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M-H+CF3COOH"	112.985586
"1297352"	576.975664	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Cl+CF3COOH"	148.962264
"1368222"	393.000724	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H-2H2O"	-35.012676
"1387907"	411.0107	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H-H2O"	-17.0027
"286134"	857.034076	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+H"	1.007276
"684022"	1285.047476	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+H"	1.007276
"1360371"	429.020676	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H"	1.007276
"135447"	429.020676	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+2H"	2.014552
"573915"	643.027376	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+2H"	2.014552
"1041623"	215.013976	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2H"	2.014552
"206608"	286.349542666667	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+3H"	3.021828
"649087"	429.020676	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+3H"	3.021828
"1165145"	143.678409333333	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+3H"	3.021828
"432673"	874.060623	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+NH4"	18.033823
"794762"	1302.074023	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+NH4"	18.033823
"1691092"	446.047223	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+NH4"	18.033823
"338275"	437.5339495	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+H+NH4"	19.041099
"731790"	651.5406495	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+H+NH4"	19.041099
"1486704"	223.5272495	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H+NH4"	19.041099
"393597"	879.016018	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+Na"	22.989218
"756537"	1307.029418	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+Na"	22.989218
"1606823"	451.002618	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Na"	22.989218
"314465"	440.011647	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+H+Na"	23.996494
"708431"	654.018347	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+H+Na"	23.996494
"1462615"	226.004947	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H+Na"	23.996494
"1054162"	151.005723333333	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2H+Na"	25.00377
"1260214"	461.046886	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+CH3OH+H"	33.033486
"382070"	894.989958	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+K"	38.963158
"743064"	1323.003358	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+K"	38.963158
"1546214"	466.976558	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+K"	38.963158
"312506"	447.998617	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+H+K"	39.970434
"706225"	662.005317	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+H+K"	39.970434
"1460981"	233.991917	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H+K"	39.970434
"251129"	898.060626	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+ACN+H"	42.033826
"1224924"	470.047226	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+ACN+H"	42.033826
"1209581"	235.527251	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+ACN+2H"	43.041102
"203871"	900.99796	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+2Na-H"	44.97116
"643917"	1329.01136	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+2Na-H"	44.97116
"1147049"	472.98456	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2Na-H"	44.97116
"182809"	451.002618	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+2Na"	45.978436
"623462"	665.009318	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+2Na"	45.978436
"1128789"	236.995918	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2Na"	45.978436
"1409395"	158.333037333333	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H+2Na"	46.985712
"1438233"	475.026146	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H+HCOOH"	47.012746
"226834"	456.03564	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+3H2O+2H"	56.04448
"1512715"	489.07819	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+IsoProp+H"	61.06479
"413496"	458.989588	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+Na+K"	61.952376
"773394"	672.996288	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+Na+K"	61.952376
"1670824"	244.982888	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Na+K"	61.952376
"257344"	920.042568	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+ACN+Na"	64.015768
"1234427"	492.029168	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+ACN+Na"	64.015768
"1718940"	492.052693	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+NH4+HCOOH"	64.039293
"1187576"	165.660351333333	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+3Na"	68.967654
"1659656"	497.008088	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Na+HCOOH"	68.994688
"165424"	932.94584	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+2K-H"	76.91904
"606078"	1360.95924	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+2K-H"	76.91904
"1096057"	504.93244	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2K-H"	76.91904
"150687"	466.976558	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"2M+2K"	77.926316
"584779"	680.983258	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"3M+2K"	77.926316
"1069896"	252.969858	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2K"	77.926316
"1100553"	506.946992	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2K+H"	78.933592
"1337060"	507.034607	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+DMSO+H"	79.021207
"1006809"	511.073776	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2ACN+H"	83.060376
"1524807"	512.067408	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+IsoProp+Na+H"	84.054008
"990895"	256.040526	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+2ACN+2H"	84.067652
"1589053"	512.982028	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+K+HCOOH"	84.968628
"1425288"	543.013538	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+H+CF3COOH"	115.000138
"1152301"	276.553801	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+3ACN+2H"	125.094202
"1702945"	560.040085	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+NH4+CF3COOH"	132.026685
"1635316"	564.99548	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+Na+CF3COOH"	136.98208
"1578623"	580.96942	"C00104"	"IDP;Inosine 5-diphosphate;Inosine diphosphate"	"C10H14N4O11P2"	"428.0134"	"M+K+CF3COOH"	152.95602
"805707"	324.0359	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M"	0
"983614"	305.01751	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-H2O-H"	-19.01839
"67482"	215.016657333333	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M-3H"	-3.021828
"510321"	323.028624	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M-3H"	-3.021828
"887029"	107.004690666667	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-3H"	-3.021828
"13504"	323.028624	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M-2H"	-2.014552
"449539"	485.046574	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M-2H"	-2.014552
"828436"	161.010674	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-2H"	-2.014552
"87337"	647.064524	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M-H"	-1.007276
"532364"	971.100424	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M-H"	-1.007276
"909803"	323.028624	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-H"	-1.007276
"62114"	664.091071	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M-2H+NH4"	16.019271
"501673"	988.126971	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M-2H+NH4"	16.019271
"877531"	340.055171	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-2H+NH4"	16.019271
"45432"	669.046466	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M-2H+Na"	20.974666
"483896"	993.082366	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M-2H+Na"	20.974666
"855136"	345.010566	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-2H+Na"	20.974666
"1627955"	345.010566	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Na-2H"	20.974666
"101202"	341.016963	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M-H+Cl"	33.962126
"539672"	503.034913	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M-H+Cl"	33.962126
"930999"	178.999013	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-H+Cl"	33.962126
"275025"	683.041202	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+Cl"	34.969402
"669633"	1007.077102	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+Cl"	34.969402
"1283129"	359.005302	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Cl"	34.969402
"23499"	685.020406	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M-2H+K"	36.948606
"457592"	1009.056306	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M-2H+K"	36.948606
"833447"	360.984506	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-2H+K"	36.948606
"1562163"	360.984506	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+K-2H"	36.948606
"954423"	369.034094	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-H+HCOOH"	44.998194
"370451"	693.070001	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+HCOOH-H"	44.998201
"356521"	707.085651	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+Hac-H"	59.013851
"1504627"	383.049751	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Hac-H"	59.013851
"971076"	391.016051	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-H+NaCOOH"	66.980151
"121803"	359.005302	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+2Cl"	69.938804
"552617"	521.023252	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+2Cl"	69.938804
"1023973"	196.987352	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2Cl"	69.938804
"1242821"	402.954785	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Br"	78.918885
"1311102"	405.010772	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Cl+HCOOH"	80.974872
"1323496"	426.992729	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Cl+NaCOOH"	102.956829
"916744"	437.021486	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M-H+CF3COOH"	112.985586
"1298192"	472.998164	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Cl+CF3COOH"	148.962264
"1370156"	289.023224	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H-2H2O"	-35.012676
"1388017"	307.0332	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H-H2O"	-17.0027
"288433"	649.079076	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+H"	1.007276
"677936"	973.114976	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+H"	1.007276
"1360483"	325.043176	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H"	1.007276
"132278"	325.043176	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+2H"	2.014552
"576213"	487.061126	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+2H"	2.014552
"1041734"	163.025226	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2H"	2.014552
"208541"	217.031209333333	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+3H"	3.021828
"649197"	325.043176	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+3H"	3.021828
"1166229"	109.019242666667	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+3H"	3.021828
"430598"	666.105623	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+NH4"	18.033823
"794872"	990.141523	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+NH4"	18.033823
"1689017"	342.069723	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+NH4"	18.033823
"342759"	333.5564495	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+H+NH4"	19.041099
"732994"	495.5743995	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+H+NH4"	19.041099
"1487908"	171.5384995	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H+NH4"	19.041099
"397838"	671.061018	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+Na"	22.989218
"759928"	995.096918	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+Na"	22.989218
"1606933"	347.025118	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Na"	22.989218
"316239"	336.034147	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+H+Na"	23.996494
"709753"	498.052097	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+H+Na"	23.996494
"1461996"	174.016197	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H+Na"	23.996494
"1056459"	116.346556666667	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2H+Na"	25.00377
"1261418"	357.069386	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+CH3OH+H"	33.033486
"379993"	687.034958	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+K"	38.963158
"743177"	1011.070858	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+K"	38.963158
"1547417"	362.999058	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+K"	38.963158
"307877"	344.021117	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+H+K"	39.970434
"705039"	506.039067	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+H+K"	39.970434
"1457401"	182.003167	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H+K"	39.970434
"250624"	690.105626	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+ACN+H"	42.033826
"1223942"	366.069726	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+ACN+H"	42.033826
"1209817"	183.538501	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+ACN+2H"	43.041102
"203372"	693.04296	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+2Na-H"	44.97116
"643419"	1017.07886	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+2Na-H"	44.97116
"1146195"	369.00706	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2Na-H"	44.97116
"187054"	347.025118	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+2Na"	45.978436
"623572"	509.043068	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+2Na"	45.978436
"1129263"	185.007168	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2Na"	45.978436
"1409505"	123.673870666667	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H+2Na"	46.985712
"1435427"	371.048646	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H+HCOOH"	47.012746
"225849"	352.05814	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+3H2O+2H"	56.04448
"1515012"	385.10069	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+H"	61.06479
"413606"	355.012088	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+Na+K"	61.952376
"773506"	517.030038	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+Na+K"	61.952376
"1669110"	192.994138	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Na+K"	61.952376
"257453"	712.087568	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+ACN+Na"	64.015768
"1234537"	388.051668	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+ACN+Na"	64.015768
"1719050"	388.075193	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+NH4+HCOOH"	64.039293
"1186594"	131.001184666667	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+3Na"	68.967654
"1655390"	393.030588	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Na+HCOOH"	68.994688
"164441"	724.99084	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+2K-H"	76.91904
"605824"	1049.02674	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+2K-H"	76.91904
"1092523"	400.95494	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2K-H"	76.91904
"150433"	362.999058	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"2M+2K"	77.926316
"585618"	525.017008	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"3M+2K"	77.926316
"1070494"	200.981108	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2K"	77.926316
"1102613"	402.969492	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2K+H"	78.933592
"1336314"	403.057107	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+DMSO+H"	79.021207
"1006555"	407.096276	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2ACN+H"	83.060376
"1524923"	408.089908	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+Na+H"	84.054008
"993196"	204.051776	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+2ACN+2H"	84.067652
"1590988"	409.004528	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+K+HCOOH"	84.968628
"1425398"	439.036038	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+H+CF3COOH"	115.000138
"1156784"	224.565051	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+3ACN+2H"	125.094202
"1697708"	456.062585	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+NH4+CF3COOH"	132.026685
"1636519"	461.01798	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+Na+CF3COOH"	136.98208
"1578733"	476.99192	"C00105"	"UMP;Uridylic acid;Uridine monophosphate;Uridine 5-monophosphate;5Uridylic acid"	"C9H13N2O9P"	"324.0359"	"M+K+CF3COOH"	152.95602
"811285"	112.0273	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M"	0
"981537"	93.00891	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-H2O-H"	-19.01839
"70871"	73.6775906666667	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M-3H"	-3.021828
"511524"	111.020024	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M-3H"	-3.021828
"887139"	36.3351573333333	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-3H"	-3.021828
"11184"	111.020024	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M-2H"	-2.014552
"450745"	167.033674	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M-2H"	-2.014552
"828548"	55.006374	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-2H"	-2.014552
"92310"	223.047324	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M-H"	-1.007276
"533454"	335.074624	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M-H"	-1.007276
"906997"	111.020024	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-H"	-1.007276
"61374"	240.073871	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M-2H+NH4"	16.019271
"502151"	352.101171	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M-2H+NH4"	16.019271
"877399"	128.046571	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-2H+NH4"	16.019271
"45423"	245.029266	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M-2H+Na"	20.974666
"482913"	357.056566	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M-2H+Na"	20.974666
"861081"	133.001966	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-2H+Na"	20.974666
"1630252"	133.001966	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Na-2H"	20.974666
"103500"	129.008363	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M-H+Cl"	33.962126
"540876"	185.022013	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M-H+Cl"	33.962126
"932204"	72.994713	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-H+Cl"	33.962126
"278052"	259.024002	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+Cl"	34.969402
"671932"	371.051302	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+Cl"	34.969402
"1285793"	146.996702	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Cl"	34.969402
"27984"	261.003206	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M-2H+K"	36.948606
"464263"	373.030506	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M-2H+K"	36.948606
"842064"	148.975906	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-2H+K"	36.948606
"1564460"	148.975906	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+K-2H"	36.948606
"950157"	157.025494	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-H+HCOOH"	44.998194
"369467"	269.052801	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+HCOOH-H"	44.998201
"354445"	283.068451	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+Hac-H"	59.013851
"1507655"	171.041151	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Hac-H"	59.013851
"969364"	179.007451	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-H+NaCOOH"	66.980151
"119727"	146.996702	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+2Cl"	69.938804
"554914"	203.010352	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+2Cl"	69.938804
"1024083"	90.983052	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2Cl"	69.938804
"1242079"	190.946185	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Br"	78.918885
"1307932"	193.002172	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Cl+HCOOH"	80.974872
"1322513"	214.984129	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Cl+NaCOOH"	102.956829
"919770"	225.012886	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M-H+CF3COOH"	112.985586
"1298302"	260.989564	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Cl+CF3COOH"	148.962264
"1379016"	77.014624	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H-2H2O"	-35.012676
"1391045"	95.0246	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H-H2O"	-17.0027
"287454"	225.061876	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+H"	1.007276
"682060"	337.089176	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+H"	1.007276
"1362782"	113.034576	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H"	1.007276
"132392"	113.034576	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+2H"	2.014552
"573045"	169.048226	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+2H"	2.014552
"1045125"	57.020926	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2H"	2.014552
"209747"	75.6921426666667	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+3H"	3.021828
"651495"	113.034576	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+3H"	3.021828
"1168529"	38.3497093333333	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+3H"	3.021828
"427429"	242.088423	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+NH4"	18.033823
"790611"	354.115723	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+NH4"	18.033823
"1684027"	130.061123	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+NH4"	18.033823
"335220"	121.5478495	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+H+NH4"	19.041099
"728733"	177.5614995	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+H+NH4"	19.041099
"1489114"	65.5341995	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H+NH4"	19.041099
"399044"	247.043818	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+Na"	22.989218
"763321"	359.071118	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+Na"	22.989218
"1614698"	135.016518	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Na"	22.989218
"319269"	124.025547	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+H+Na"	23.996494
"712785"	180.039197	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+H+Na"	23.996494
"1464418"	68.011897	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H+Na"	23.996494
"1059851"	45.6770233333333	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2H+Na"	25.00377
"1268094"	145.060786	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+CH3OH+H"	33.033486
"382292"	263.017758	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+K"	38.963158
"748757"	375.045058	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+K"	38.963158
"1551175"	150.990458	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+K"	38.963158
"308716"	132.012517	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+H+K"	39.970434
"705150"	188.026167	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+H+K"	39.970434
"1460432"	75.998867	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H+K"	39.970434
"250734"	266.088426	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+ACN+H"	42.033826
"1225033"	154.061126	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+ACN+H"	42.033826
"1209040"	77.534201	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+ACN+2H"	43.041102
"203772"	269.02576	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+2Na-H"	44.97116
"643168"	381.05306	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+2Na-H"	44.97116
"1146548"	156.99846	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2Na-H"	44.97116
"186314"	135.016518	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+2Na"	45.978436
"625145"	191.030168	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+2Na"	45.978436
"1129745"	79.002868	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2Na"	45.978436
"1410350"	53.0043373333333	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H+2Na"	46.985712
"1440281"	159.040046	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H+HCOOH"	47.012746
"230341"	140.04954	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+3H2O+2H"	56.04448
"1516215"	173.09209	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+IsoProp+H"	61.06479
"414809"	143.003488	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+Na+K"	61.952376
"774709"	199.017138	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+Na+K"	61.952376
"1671042"	86.989838	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Na+K"	61.952376
"260481"	288.070368	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+ACN+Na"	64.015768
"1234649"	176.043068	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+ACN+Na"	64.015768
"1718797"	176.066593	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+NH4+HCOOH"	64.039293
"1187435"	60.3316513333333	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+3Na"	68.967654
"1659877"	181.021988	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Na+HCOOH"	68.994688
"171479"	300.97364	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+2K-H"	76.91904
"600832"	413.00094	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+2K-H"	76.91904
"1092999"	188.94634	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2K-H"	76.91904
"148356"	150.990458	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"2M+2K"	77.926316
"589374"	207.004108	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"3M+2K"	77.926316
"1075709"	94.976808	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2K"	77.926316
"1102724"	190.960892	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2K+H"	78.933592
"1339108"	191.048507	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+DMSO+H"	79.021207
"1006055"	195.087676	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2ACN+H"	83.060376
"1525154"	196.081308	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+IsoProp+Na+H"	84.054008
"998773"	98.047476	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+2ACN+2H"	84.067652
"1588299"	196.995928	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+K+HCOOH"	84.968628
"1417850"	227.027438	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+H+CF3COOH"	115.000138
"1153614"	118.560751	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+3ACN+2H"	125.094202
"1703165"	244.053985	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+NH4+CF3COOH"	132.026685
"1635171"	249.00938	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+Na+CF3COOH"	136.98208
"1578843"	264.98332	"C00106"	"Uracil"	"C4H4N2O2"	"112.0273"	"M+K+CF3COOH"	152.95602
"808115"	137.0477	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M"	0
"984928"	118.02931	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H2O-H"	-19.01839
"67701"	90.3578573333333	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-3H"	-3.021828
"508355"	136.040424	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-3H"	-3.021828
"886157"	44.6752906666667	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-3H"	-3.021828
"9106"	136.040424	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H"	-2.014552
"449759"	204.564274	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H"	-2.014552
"825374"	67.516574	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H"	-2.014552
"85368"	273.088124	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-H"	-1.007276
"526023"	410.135824	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-H"	-1.007276
"906010"	136.040424	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H"	-1.007276
"56012"	290.114671	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H+NH4"	16.019271
"496665"	427.162371	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H+NH4"	16.019271
"875559"	153.066971	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H+NH4"	16.019271
"44553"	295.070066	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H+Na"	20.974666
"478646"	432.117766	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H+Na"	20.974666
"856448"	158.022366	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H+Na"	20.974666
"1627082"	158.022366	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na-2H"	20.974666
"100333"	154.028763	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-H+Cl"	33.962126
"538798"	222.552613	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-H+Cl"	33.962126
"933406"	85.504913	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+Cl"	33.962126
"276337"	309.064802	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Cl"	34.969402
"673133"	446.112502	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+Cl"	34.969402
"1280068"	172.017102	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl"	34.969402
"23719"	311.044006	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H+K"	36.948606
"462186"	448.091706	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H+K"	36.948606
"843270"	173.996306	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H+K"	36.948606
"1563476"	173.996306	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K-2H"	36.948606
"950266"	182.045894	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+HCOOH"	44.998194
"370668"	319.093601	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+HCOOH-H"	44.998201
"351272"	333.109251	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Hac-H"	59.013851
"1503387"	196.061551	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Hac-H"	59.013851
"961449"	204.027851	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+NaCOOH"	66.980151
"112184"	172.017102	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2Cl"	69.938804
"552111"	240.540952	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2Cl"	69.938804
"1025287"	103.493252	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2Cl"	69.938804
"1243770"	215.966585	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Br"	78.918885
"1311326"	218.022572	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl+HCOOH"	80.974872
"1324813"	240.004529	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl+NaCOOH"	102.956829
"914412"	250.033286	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+CF3COOH"	112.985586
"1295494"	286.009964	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl+CF3COOH"	148.962264
"1375843"	102.035024	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H-2H2O"	-35.012676
"1387873"	120.045	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H-H2O"	-17.0027
"291933"	275.102676	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H"	1.007276
"679252"	412.150376	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H"	1.007276
"1358518"	138.054976	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H"	1.007276
"129220"	138.054976	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2H"	2.014552
"570969"	206.578826	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2H"	2.014552
"1039402"	69.531126	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2H"	2.014552
"212045"	92.3724093333333	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+3H"	3.021828
"647231"	138.054976	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+3H"	3.021828
"1173014"	46.6898426666667	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+3H"	3.021828
"428633"	292.129223	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+NH4"	18.033823
"791815"	429.176923	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+NH4"	18.033823
"1687053"	155.081523	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+NH4"	18.033823
"334236"	146.5682495	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H+NH4"	19.041099
"733218"	215.0920995	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H+NH4"	19.041099
"1489221"	78.0443995	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+NH4"	19.041099
"401341"	297.084618	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Na"	22.989218
"761241"	434.132318	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+Na"	22.989218
"1610434"	160.036918	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na"	22.989218
"320472"	149.045947	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H+Na"	23.996494
"715080"	217.569797	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H+Na"	23.996494
"1467810"	80.522097	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+Na"	23.996494
"1061784"	54.0171566666667	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2H+Na"	25.00377
"1264922"	170.081186	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+CH3OH+H"	33.033486
"385684"	313.058558	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+K"	38.963158
"749961"	450.106258	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+K"	38.963158
"1551652"	176.010858	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K"	38.963158
"307006"	157.032917	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H+K"	39.970434
"705989"	225.556767	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H+K"	39.970434
"1460748"	88.509067	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+K"	39.970434
"250606"	316.129226	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+ACN+H"	42.033826
"1224976"	179.081526	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+ACN+H"	42.033826
"1209025"	90.044401	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+ACN+2H"	43.041102
"203959"	319.06656	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2Na-H"	44.97116
"643516"	456.11426	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2Na-H"	44.97116
"1145686"	182.01886	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2Na-H"	44.97116
"186790"	160.036918	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2Na"	45.978436
"626348"	228.560768	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2Na"	45.978436
"1129126"	91.513068	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2Na"	45.978436
"1411913"	61.3444706666667	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+2Na"	46.985712
"1441480"	184.060446	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+HCOOH"	47.012746
"229355"	165.06994	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+3H2O+2H"	56.04448
"1519244"	198.11249	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+IsoProp+H"	61.06479
"421848"	168.023888	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Na+K"	61.952376
"780290"	236.547738	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+Na+K"	61.952376
"1676984"	99.500038	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na+K"	61.952376
"261319"	338.111168	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+ACN+Na"	64.015768
"1238039"	201.063468	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+ACN+Na"	64.015768
"1724738"	201.086993	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+NH4+HCOOH"	64.039293
"1190824"	68.6717846666667	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+3Na"	68.967654
"1659987"	206.042388	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na+HCOOH"	68.994688
"170494"	351.01444	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2K-H"	76.91904
"609690"	488.06214	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2K-H"	76.91904
"1093470"	213.96674	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2K-H"	76.91904
"145550"	176.010858	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2K"	77.926316
"590578"	244.534708	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2K"	77.926316
"1070230"	107.487008	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2K"	77.926316
"1101249"	215.981292	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2K+H"	78.933592
"1340310"	216.068907	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+DMSO+H"	79.021207
"1007502"	220.108076	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2ACN+H"	83.060376
"1524532"	221.101708	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+IsoProp+Na+H"	84.054008
"994518"	110.557676	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2ACN+2H"	84.067652
"1597770"	222.016328	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K+HCOOH"	84.968628
"1417970"	252.047838	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+CF3COOH"	115.000138
"1148621"	131.070951	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+3ACN+2H"	125.094202
"1706559"	269.074385	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+NH4+CF3COOH"	132.026685
"1642209"	274.02978	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na+CF3COOH"	136.98208
"1578954"	290.00372	"C00108"	"Anthranilate;Anthranilic acid;o-Aminobenzoic acid;Vitamin L1;2-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K+CF3COOH"	152.95602
"814787"	102.0317	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M"	0
"985038"	83.01331	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-H2O-H"	-19.01839
"66718"	67.0138573333333	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M-3H"	-3.021828
"506277"	101.024424	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M-3H"	-3.021828
"886267"	33.0032906666667	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-3H"	-3.021828
"9216"	101.024424	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M-2H"	-2.014552
"443308"	152.040274	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M-2H"	-2.014552
"823298"	50.008574	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-2H"	-2.014552
"86573"	203.056124	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M-H"	-1.007276
"527228"	305.087824	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M-H"	-1.007276
"907216"	101.024424	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-H"	-1.007276
"55029"	220.082671	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M-2H+NH4"	16.019271
"496774"	322.114371	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M-2H+NH4"	16.019271
"873486"	118.050971	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-2H+NH4"	16.019271
"40288"	225.038066	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M-2H+Na"	20.974666
"477662"	327.069766	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M-2H+Na"	20.974666
"856558"	123.006366	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-2H+Na"	20.974666
"1629380"	123.006366	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Na-2H"	20.974666
"101536"	119.012763	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M-H+Cl"	33.962126
"543282"	170.028613	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M-H+Cl"	33.962126
"938983"	67.996913	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-H+Cl"	33.962126
"280822"	239.032802	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+Cl"	34.969402
"673243"	341.064502	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+Cl"	34.969402
"1283458"	137.001102	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Cl"	34.969402
"23829"	241.012006	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M-2H+K"	36.948606
"464484"	343.043706	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M-2H+K"	36.948606
"841194"	138.980306	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-2H+K"	36.948606
"1568692"	138.980306	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+K-2H"	36.948606
"949284"	147.029894	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-H+HCOOH"	44.998194
"371873"	249.061601	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+HCOOH-H"	44.998201
"354664"	263.077251	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+Hac-H"	59.013851
"1504591"	161.045551	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Hac-H"	59.013851
"969945"	169.011851	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-H+NaCOOH"	66.980151
"114481"	137.001102	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+2Cl"	69.938804
"552222"	188.016952	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+2Cl"	69.938804
"1026490"	85.985252	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2Cl"	69.938804
"1243515"	180.950585	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Br"	78.918885
"1311436"	183.006572	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Cl+HCOOH"	80.974872
"1324923"	204.988529	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Cl+NaCOOH"	102.956829
"915249"	215.017286	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M-H+CF3COOH"	112.985586
"1297791"	250.993964	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Cl+CF3COOH"	148.962264
"1371581"	67.019024	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H-2H2O"	-35.012676
"1389077"	85.029	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H-H2O"	-17.0027
"284755"	205.070676	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+H"	1.007276
"682280"	307.102376	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+H"	1.007276
"1353163"	103.038976	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H"	1.007276
"134800"	103.038976	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+2H"	2.014552
"573267"	154.054826	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+2H"	2.014552
"1047534"	52.023126	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2H"	2.014552
"209969"	69.0284093333333	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+3H"	3.021828
"655728"	103.038976	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+3H"	3.021828
"1165471"	35.0178426666667	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+3H"	3.021828
"430930"	222.097223	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+NH4"	18.033823
"794112"	324.128923	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+NH4"	18.033823
"1687163"	120.065523	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+NH4"	18.033823
"338720"	111.5522495	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+H+NH4"	19.041099
"735151"	162.5680995	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+H+NH4"	19.041099
"1484960"	60.5363995	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H+NH4"	19.041099
"399268"	227.052618	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+Na"	22.989218
"763540"	329.084318	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+Na"	22.989218
"1610547"	125.020918	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Na"	22.989218
"320586"	114.029947	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+H+Na"	23.996494
"716284"	165.045797	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+H+Na"	23.996494
"1467921"	63.014097	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H+Na"	23.996494
"1062260"	42.3451566666667	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2H+Na"	25.00377
"1270500"	135.065186	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+CH3OH+H"	33.033486
"386888"	243.026558	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+K"	38.963158
"752988"	345.058258	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+K"	38.963158
"1552126"	140.994858	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+K"	38.963158
"313314"	122.016917	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+H+K"	39.970434
"703911"	173.032767	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+H+K"	39.970434
"1461185"	71.001067	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H+K"	39.970434
"251206"	246.097226	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+ACN+H"	42.033826
"1225174"	144.065526	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+ACN+H"	42.033826
"1209542"	72.536401	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+ACN+2H"	43.041102
"203952"	249.03456	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+2Na-H"	44.97116
"644218"	351.06626	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+2Na-H"	44.97116
"1146038"	147.00286	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2Na-H"	44.97116
"186896"	125.020918	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+2Na"	45.978436
"627307"	176.036768	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+2Na"	45.978436
"1129602"	74.005068	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2Na"	45.978436
"1412756"	49.6724706666667	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H+2Na"	46.985712
"1443053"	149.044446	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H+HCOOH"	47.012746
"227278"	130.05394	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+3H2O+2H"	56.04448
"1514249"	163.09649	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+IsoProp+H"	61.06479
"420498"	133.007888	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+Na+K"	61.952376
"780400"	184.023738	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+Na+K"	61.952376
"1675636"	81.992038	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Na+K"	61.952376
"258877"	268.079168	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+ACN+Na"	64.015768
"1235961"	166.047468	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+ACN+Na"	64.015768
"1723754"	166.070993	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+NH4+HCOOH"	64.039293
"1190570"	56.9997846666667	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+3Na"	68.967654
"1660096"	171.026388	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Na+HCOOH"	68.994688
"169146"	280.98244	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+2K-H"	76.91904
"603240"	383.01414	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+2K-H"	76.91904
"1095770"	178.95074	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2K-H"	76.91904
"148941"	140.994858	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"2M+2K"	77.926316
"590324"	192.010708	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"3M+2K"	77.926316
"1070829"	89.979008	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2K"	77.926316
"1105128"	180.965292	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2K+H"	78.933592
"1339328"	181.052907	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+DMSO+H"	79.021207
"1008099"	185.092076	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2ACN+H"	83.060376
"1524767"	186.085708	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+IsoProp+Na+H"	84.054008
"990075"	93.049676	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+2ACN+2H"	84.067652
"1601160"	187.000328	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+K+HCOOH"	84.968628
"1419164"	217.031838	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+H+CF3COOH"	115.000138
"1148731"	113.562951	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+3ACN+2H"	125.094202
"1702294"	234.058385	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+NH4+CF3COOH"	132.026685
"1643412"	239.01378	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+Na+CF3COOH"	136.98208
"1579064"	254.98772	"C00109"	"2-Oxobutanoate;2-Ketobutyric acid;2-Oxobutyric acid;2-Oxobutyrate;2-Oxobutanoic acid;alpha-Ketobutyric acid;alpha-Ketobutyrate"	"C4H6O3"	"102.0317"	"M+K+CF3COOH"	152.95602
"809429"	169.998	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M"	0
"979681"	150.97961	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-H2O-H"	-19.01839
"72297"	112.324724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M-3H"	-3.021828
"508578"	168.990724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M-3H"	-3.021828
"884191"	55.658724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-3H"	-3.021828
"578"	168.990724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M-2H"	-2.014552
"441231"	253.989724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M-2H"	-2.014552
"824502"	83.991724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-2H"	-2.014552
"87775"	338.988724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M-H"	-1.007276
"527336"	508.986724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M-H"	-1.007276
"905136"	168.990724	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-H"	-1.007276
"51854"	356.015271	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M-2H+NH4"	16.019271
"497977"	526.013271	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M-2H+NH4"	16.019271
"875780"	186.017271	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-2H+NH4"	16.019271
"37121"	360.970666	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M-2H+Na"	20.974666
"479961"	530.968666	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M-2H+Na"	20.974666
"859958"	190.972666	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-2H+Na"	20.974666
"1622931"	190.972666	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Na-2H"	20.974666
"97271"	186.979063	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M-H+Cl"	33.962126
"542299"	271.978063	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M-H+Cl"	33.962126
"935813"	101.980063	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-H+Cl"	33.962126
"271090"	374.965402	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+Cl"	34.969402
"674448"	544.963402	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+Cl"	34.969402
"1286853"	204.967402	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Cl"	34.969402
"27220"	376.944606	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M-2H+K"	36.948606
"467874"	546.942606	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M-2H+K"	36.948606
"844585"	206.946606	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-2H+K"	36.948606
"1568074"	206.946606	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+K-2H"	36.948606
"954862"	214.996194	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-H+HCOOH"	44.998194
"367613"	384.994201	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+HCOOH-H"	44.998201
"354778"	399.009851	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+Hac-H"	59.013851
"1504702"	229.011851	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Hac-H"	59.013851
"968963"	236.978151	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-H+NaCOOH"	66.980151
"118970"	204.967402	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+2Cl"	69.938804
"555980"	289.966402	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+2Cl"	69.938804
"1029883"	119.968402	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2Cl"	69.938804
"1247277"	248.916885	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Br"	78.918885
"1304336"	250.972872	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Cl+HCOOH"	80.974872
"1324304"	272.954829	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Cl+NaCOOH"	102.956829
"914633"	282.983586	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M-H+CF3COOH"	112.985586
"1296808"	318.960264	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Cl+CF3COOH"	148.962264
"1374971"	134.985324	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H-2H2O"	-35.012676
"1393197"	152.9953	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H-H2O"	-17.0027
"284866"	341.003276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+H"	1.007276
"679109"	511.001276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+H"	1.007276
"1362753"	171.005276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H"	1.007276
"134910"	171.005276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+2H"	2.014552
"570459"	256.004276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+2H"	2.014552
"1042177"	86.006276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2H"	2.014552
"210079"	114.339276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+3H"	3.021828
"654015"	171.005276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+3H"	3.021828
"1169955"	57.673276	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+3H"	3.021828
"432135"	358.029823	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+NH4"	18.033823
"792037"	528.027823	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+NH4"	18.033823
"1687274"	188.031823	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+NH4"	18.033823
"337736"	179.5185495	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+H+NH4"	19.041099
"734530"	264.5175495	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+H+NH4"	19.041099
"1486164"	94.5195495	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H+NH4"	19.041099
"399373"	362.985218	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+Na"	22.989218
"760371"	532.983218	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+Na"	22.989218
"1609562"	192.987218	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Na"	22.989218
"320690"	181.996247	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+H+Na"	23.996494
"712020"	266.995247	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+H+Na"	23.996494
"1463777"	96.997247	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H+Na"	23.996494
"1063464"	65.00059	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2H+Na"	25.00377
"1264048"	203.031486	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+CH3OH+H"	33.033486
"386998"	378.959158	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+K"	38.963158
"749088"	548.957158	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+K"	38.963158
"1546770"	208.961158	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+K"	38.963158
"310508"	189.983217	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+H+K"	39.970434
"704021"	274.982217	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+H+K"	39.970434
"1454560"	104.984217	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H+K"	39.970434
"247171"	382.029826	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+ACN+H"	42.033826
"1224746"	212.031826	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+ACN+H"	42.033826
"1209607"	106.519551	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+ACN+2H"	43.041102
"203852"	384.96716	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+2Na-H"	44.97116
"643129"	554.96516	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+2Na-H"	44.97116
"1144812"	214.96916	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2Na-H"	44.97116
"185912"	192.987218	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+2Na"	45.978436
"624742"	277.986218	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+2Na"	45.978436
"1126423"	107.988218	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2Na"	45.978436
"1406307"	72.327904	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H+2Na"	46.985712
"1433322"	217.010746	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H+HCOOH"	47.012746
"222650"	198.02024	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+3H2O+2H"	56.04448
"1511075"	231.06279	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+IsoProp+H"	61.06479
"418417"	200.974188	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+Na+K"	61.952376
"772854"	285.973188	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+Na+K"	61.952376
"1672467"	115.975188	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Na+K"	61.952376
"264096"	404.011768	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+ACN+Na"	64.015768
"1236071"	234.013768	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+ACN+Na"	64.015768
"1723864"	234.037293	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+NH4+HCOOH"	64.039293
"1191409"	79.655218	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+3Na"	68.967654
"1663126"	238.992688	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Na+HCOOH"	68.994688
"169259"	416.91504	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+2K-H"	76.91904
"607724"	586.91304	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+2K-H"	76.91904
"1098556"	246.91704	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2K-H"	76.91904
"155976"	208.961158	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"2M+2K"	77.926316
"596391"	293.960158	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"3M+2K"	77.926316
"1074218"	123.962158	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2K"	77.926316
"1107425"	248.931592	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2K+H"	78.933592
"1348185"	249.019207	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+DMSO+H"	79.021207
"1010155"	253.058376	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2ACN+H"	83.060376
"1524295"	254.052008	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+IsoProp+Na+H"	84.054008
"992547"	127.032826	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+2ACN+2H"	84.067652
"1597990"	254.966628	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+K+HCOOH"	84.968628
"1417097"	284.998138	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+H+CF3COOH"	115.000138
"1160509"	147.546101	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+3ACN+2H"	125.094202
"1708968"	302.024685	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+NH4+CF3COOH"	132.026685
"1641336"	306.98008	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+Na+CF3COOH"	136.98208
"1579175"	322.95402	"C00111"	"Glycerone phosphate;Dihydroxyacetone phosphate;3-Hydroxy-2-oxopropyl phosphate"	"C3H7O6P"	"169.998"	"M+K+CF3COOH"	152.95602
"809539"	403.0182	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M"	0
"979791"	383.99981	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-H2O-H"	-19.01839
"73500"	267.671524	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M-3H"	-3.021828
"513061"	402.010924	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M-3H"	-3.021828
"887583"	133.332124	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-3H"	-3.021828
"6158"	402.010924	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M-2H"	-2.014552
"447904"	603.520024	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M-2H"	-2.014552
"825708"	200.501824	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-2H"	-2.014552
"87886"	805.029124	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M-H"	-1.007276
"527449"	1208.047324	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M-H"	-1.007276
"907433"	402.010924	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-H"	-1.007276
"60228"	822.055671	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M-2H+NH4"	16.019271
"498090"	1225.073871	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M-2H+NH4"	16.019271
"875527"	419.037471	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-2H+NH4"	16.019271
"38325"	827.011066	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M-2H+Na"	20.974666
"477885"	1230.029266	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M-2H+Na"	20.974666
"854600"	423.992866	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-2H+Na"	20.974666
"1625227"	423.992866	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Na-2H"	20.974666
"101757"	419.999263	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M-H+Cl"	33.962126
"539129"	621.508363	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M-H+Cl"	33.962126
"939204"	218.490163	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-H+Cl"	33.962126
"273388"	841.005802	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+Cl"	34.969402
"673099"	1244.024002	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+Cl"	34.969402
"1285867"	437.987602	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Cl"	34.969402
"25144"	842.985006	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M-2H+K"	36.948606
"469079"	1246.003206	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M-2H+K"	36.948606
"846882"	439.966806	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-2H+K"	36.948606
"1569277"	439.966806	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+K-2H"	36.948606
"954972"	448.016394	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-H+HCOOH"	44.998194
"369910"	851.034601	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+HCOOH-H"	44.998201
"354888"	865.050251	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+Hac-H"	59.013851
"1507000"	462.032051	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Hac-H"	59.013851
"973935"	469.998351	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-H+NaCOOH"	66.980151
"116894"	437.987602	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+2Cl"	69.938804
"558642"	639.496702	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+2Cl"	69.938804
"1034002"	236.478502	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2Cl"	69.938804
"1251396"	481.937085	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Br"	78.918885
"1307284"	483.993072	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Cl+HCOOH"	80.974872
"1323322"	505.975029	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Cl+NaCOOH"	102.956829
"919120"	516.003786	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M-H+CF3COOH"	112.985586
"1301294"	551.980464	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Cl+CF3COOH"	148.962264
"1375083"	368.005524	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H-2H2O"	-35.012676
"1384196"	386.0155	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H-H2O"	-17.0027
"284612"	807.043676	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+H"	1.007276
"679220"	1210.061876	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+H"	1.007276
"1364686"	404.025476	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H"	1.007276
"133562"	404.025476	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+2H"	2.014552
"569112"	605.534576	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+2H"	2.014552
"1039007"	202.516376	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2H"	2.014552
"216022"	269.686076	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+3H"	3.021828
"653762"	404.025476	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+3H"	3.021828
"1170065"	135.346676	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+3H"	3.021828
"433338"	824.070223	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+NH4"	18.033823
"795427"	1227.088423	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+NH4"	18.033823
"1689572"	421.052023	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+NH4"	18.033823
"338576"	412.5387495	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+H+NH4"	19.041099
"736832"	614.0478495	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+H+NH4"	19.041099
"1487734"	211.0296495	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H+NH4"	19.041099
"398391"	829.025618	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+Na"	22.989218
"763762"	1232.043818	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+Na"	22.989218
"1611861"	426.007418	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Na"	22.989218
"322991"	415.016447	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+H+Na"	23.996494
"712131"	616.525547	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+H+Na"	23.996494
"1470328"	213.507347	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H+Na"	23.996494
"1062481"	142.67399	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2H+Na"	25.00377
"1268533"	436.051686	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+CH3OH+H"	33.033486
"387108"	844.999558	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+K"	38.963158
"749931"	1248.017758	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+K"	38.963158
"1551981"	441.981358	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+K"	38.963158
"308795"	423.003417	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+H+K"	39.970434
"701580"	624.512517	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+H+K"	39.970434
"1455399"	221.494317	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H+K"	39.970434
"246553"	848.070226	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+ACN+H"	42.033826
"1223637"	445.052026	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+ACN+H"	42.033826
"1209227"	223.029651	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+ACN+2H"	43.041102
"204043"	851.00756	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+2Na-H"	44.97116
"643481"	1254.02576	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+2Na-H"	44.97116
"1145285"	447.98936	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2Na-H"	44.97116
"185534"	426.007418	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+2Na"	45.978436
"625219"	627.516518	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+2Na"	45.978436
"1126536"	224.498318	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2Na"	45.978436
"1408605"	150.001304	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H+2Na"	46.985712
"1432337"	450.030946	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H+HCOOH"	47.012746
"223126"	431.04044	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+3H2O+2H"	56.04448
"1513375"	464.08299	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+IsoProp+H"	61.06479
"411967"	433.994388	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+Na+K"	61.952376
"778435"	635.503488	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+Na+K"	61.952376
"1676954"	232.485288	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Na+K"	61.952376
"264571"	870.052168	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+ACN+Na"	64.015768
"1238734"	467.033968	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+ACN+Na"	64.015768
"1723975"	467.057493	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+NH4+HCOOH"	64.039293
"1192249"	157.328618	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+3Na"	68.967654
"1663603"	472.012888	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Na+HCOOH"	68.994688
"170463"	882.95544	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+2K-H"	76.91904
"609657"	1285.97364	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+2K-H"	76.91904
"1098790"	479.93724	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2K-H"	76.91904
"156087"	441.981358	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"2M+2K"	77.926316
"596138"	643.490458	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"3M+2K"	77.926316
"1080889"	240.472258	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2K"	77.926316
"1114099"	481.951792	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2K+H"	78.933592
"1345015"	482.039407	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+DMSO+H"	79.021207
"1011358"	486.078576	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2ACN+H"	83.060376
"1525476"	487.072208	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+IsoProp+Na+H"	84.054008
"992657"	243.542926	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+2ACN+2H"	84.067652
"1587521"	487.986828	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+K+HCOOH"	84.968628
"1415744"	518.018338	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+H+CF3COOH"	115.000138
"1147856"	264.056201	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+3ACN+2H"	125.094202
"1699230"	535.044885	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+NH4+CF3COOH"	132.026685
"1641446"	540.00028	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+Na+CF3COOH"	136.98208
"1579285"	555.97422	"C00112"	"CDP;Cytidine 5-diphosphate;Cytidine diphosphate"	"C9H15N3O11P2"	"403.0182"	"M+K+CF3COOH"	152.95602
"809649"	330.0124	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M"	0
"985369"	310.99401	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-H2O-H"	-19.01839
"74706"	219.000990666667	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M-3H"	-3.021828
"509892"	329.005124	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M-3H"	-3.021828
"886599"	108.996857333333	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-3H"	-3.021828
"2990"	329.005124	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M-2H"	-2.014552
"444733"	494.011324	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M-2H"	-2.014552
"822537"	163.998924	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-2H"	-2.014552
"84716"	659.017524	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M-H"	-1.007276
"524277"	989.029924	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M-H"	-1.007276
"903168"	329.005124	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-H"	-1.007276
"58637"	676.044071	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M-2H+NH4"	16.019271
"497106"	1006.056471	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M-2H+NH4"	16.019271
"872718"	346.031671	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-2H+NH4"	16.019271
"33333"	680.999466	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M-2H+Na"	20.974666
"472893"	1011.011866	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M-2H+Na"	20.974666
"859085"	350.987066	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-2H+Na"	20.974666
"1624244"	350.987066	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Na-2H"	20.974666
"107334"	346.993463	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M-H+Cl"	33.962126
"545801"	511.999663	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M-H+Cl"	33.962126
"939315"	181.987263	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-H+Cl"	33.962126
"278966"	694.994202	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+Cl"	34.969402
"672482"	1025.006602	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+Cl"	34.969402
"1283791"	364.981802	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Cl"	34.969402
"28172"	696.973406	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M-2H+K"	36.948606
"470286"	1026.985806	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M-2H+K"	36.948606
"846992"	366.961006	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-2H+K"	36.948606
"1567928"	366.961006	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+K-2H"	36.948606
"954718"	375.010594	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-H+HCOOH"	44.998194
"370020"	705.023001	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+HCOOH-H"	44.998201
"359374"	719.038651	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+Hac-H"	59.013851
"1507357"	389.026251	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Hac-H"	59.013851
"966998"	396.992551	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-H+NaCOOH"	66.980151
"114817"	364.981802	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+2Cl"	69.938804
"558752"	529.988002	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+2Cl"	69.938804
"1033020"	199.975602	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2Cl"	69.938804
"1251507"	408.931285	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Br"	78.918885
"1308124"	410.987272	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Cl+HCOOH"	80.974872
"1324890"	432.969229	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Cl+NaCOOH"	102.956829
"922510"	442.997986	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M-H+CF3COOH"	112.985586
"1297031"	478.974664	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Cl+CF3COOH"	148.962264
"1375194"	294.999724	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H-2H2O"	-35.012676
"1385765"	313.0097	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H-H2O"	-17.0027
"288004"	661.032076	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+H"	1.007276
"678603"	991.044476	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+H"	1.007276
"1364067"	331.019676	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H"	1.007276
"135496"	331.019676	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+2H"	2.014552
"571411"	496.025876	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+2H"	2.014552
"1043492"	166.013476	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2H"	2.014552
"215403"	221.015542666667	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+3H"	3.021828
"652051"	331.019676	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+3H"	3.021828
"1165802"	111.011409333333	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+3H"	3.021828
"434542"	678.058623	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+NH4"	18.033823
"791164"	1008.071023	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+NH4"	18.033823
"1692234"	348.046223	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+NH4"	18.033823
"334679"	339.5329495	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+H+NH4"	19.041099
"729285"	504.5391495	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+H+NH4"	19.041099
"1487115"	174.5267495	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H+NH4"	19.041099
"401782"	683.014018	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+Na"	22.989218
"766425"	1013.026418	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+Na"	22.989218
"1613795"	353.001618	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Na"	22.989218
"319823"	342.010647	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+H+Na"	23.996494
"713337"	507.016847	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+H+Na"	23.996494
"1470074"	177.004447	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H+Na"	23.996494
"1058217"	118.338723333333	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2H+Na"	25.00377
"1260990"	363.045886	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+CH3OH+H"	33.033486
"382847"	698.987958	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+K"	38.963158
"750042"	1029.000358	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+K"	38.963158
"1549177"	368.975558	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+K"	38.963158
"307446"	349.997617	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+H+K"	39.970434
"697680"	515.003817	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+H+K"	39.970434
"1454781"	184.991417	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H+K"	39.970434
"250439"	702.058626	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+ACN+H"	42.033826
"1224723"	372.046226	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+ACN+H"	42.033826
"1208731"	186.526751	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+ACN+2H"	43.041102
"202326"	704.99596	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+2Na-H"	44.97116
"642499"	1035.00836	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+2Na-H"	44.97116
"1145028"	374.98356	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2Na-H"	44.97116
"185523"	353.001618	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+2Na"	45.978436
"626058"	518.007818	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+2Na"	45.978436
"1124460"	187.995418	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2Na"	45.978436
"1407988"	125.666037333333	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H+2Na"	46.985712
"1433540"	377.025146	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H+HCOOH"	47.012746
"222143"	358.03464	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+3H2O+2H"	56.04448
"1511299"	391.07719	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+IsoProp+H"	61.06479
"410988"	360.988588	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+Na+K"	61.952376
"782923"	525.994788	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+Na+K"	61.952376
"1677428"	195.982388	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Na+K"	61.952376
"265047"	724.040568	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+ACN+Na"	64.015768
"1235198"	394.028168	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+ACN+Na"	64.015768
"1727864"	394.051693	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+NH4+HCOOH"	64.039293
"1193823"	132.993351333333	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+3Na"	68.967654
"1664077"	399.007088	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Na+HCOOH"	68.994688
"172272"	736.94384	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+2K-H"	76.91904
"611590"	1066.95624	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+2K-H"	76.91904
"1096465"	406.93144	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2K-H"	76.91904
"155832"	368.975558	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"2M+2K"	77.926316
"594299"	533.981758	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"3M+2K"	77.926316
"1081000"	203.969358	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2K"	77.926316
"1103274"	408.945992	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2K+H"	78.933592
"1337837"	409.033607	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+DMSO+H"	79.021207
"1010375"	413.072776	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2ACN+H"	83.060376
"1527412"	414.066408	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+IsoProp+Na+H"	84.054008
"993861"	207.040026	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+2ACN+2H"	84.067652
"1588363"	414.981028	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+K+HCOOH"	84.968628
"1415123"	445.012538	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+H+CF3COOH"	115.000138
"1149789"	227.553301	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+3ACN+2H"	125.094202
"1697154"	462.039085	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+NH4+CF3COOH"	132.026685
"1641556"	466.99448	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+Na+CF3COOH"	136.98208
"1579395"	482.96842	"C00113"	"PQQ;Pyrrolo-quinoline quinone;Pyrroloquinoline-quinone;Pyrroloquinoline quinone;45-Dioxo-45-dihydro-1H-pyrrolo23-fquinoline-279-tricarboxylate;Methoxatin"	"C14H6N2O8"	"330.0124"	"M+K+CF3COOH"	152.95602
"809759"	104.1075	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M"	0
"978918"	85.08911	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-H2O-H"	-19.01839
"77731"	68.397724	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M-3H"	-3.021828
"510002"	103.100224	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M-3H"	-3.021828
"886709"	33.695224	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-3H"	-3.021828
"5286"	103.100224	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M-2H"	-2.014552
"444843"	155.153974	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M-2H"	-2.014552
"821555"	51.046474	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-2H"	-2.014552
"85919"	207.207724	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M-H"	-1.007276
"524386"	311.315224	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M-H"	-1.007276
"904371"	103.100224	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-H"	-1.007276
"56560"	224.234271	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M-2H+NH4"	16.019271
"495030"	328.341771	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M-2H+NH4"	16.019271
"872829"	120.126771	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-2H+NH4"	16.019271
"33443"	229.189666	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M-2H+Na"	20.974666
"474824"	333.297166	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M-2H+Na"	20.974666
"860288"	125.082166	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-2H+Na"	20.974666
"1625447"	125.082166	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Na-2H"	20.974666
"107444"	121.088563	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M-H+Cl"	33.962126
"545911"	173.142313	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M-H+Cl"	33.962126
"941612"	69.034813	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-H+Cl"	33.962126
"281389"	243.184402	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+Cl"	34.969402
"672593"	347.291902	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+Cl"	34.969402
"1282809"	139.076902	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Cl"	34.969402
"29740"	245.163606	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M-2H+K"	36.948606
"470030"	349.271106	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M-2H+K"	36.948606
"847102"	141.056106	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-2H+K"	36.948606
"1566945"	141.056106	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+K-2H"	36.948606
"953735"	149.105694	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-H+HCOOH"	44.998194
"370130"	253.213201	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+HCOOH-H"	44.998201
"360213"	267.228851	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+Hac-H"	59.013851
"1507468"	163.121351	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Hac-H"	59.013851
"970758"	171.087651	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-H+NaCOOH"	66.980151
"114927"	139.076902	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+2Cl"	69.938804
"558862"	191.130652	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+2Cl"	69.938804
"1030942"	87.023152	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2Cl"	69.938804
"1251982"	183.026385	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Br"	78.918885
"1311881"	185.082372	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Cl+HCOOH"	80.974872
"1328282"	207.064329	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Cl+NaCOOH"	102.956829
"923350"	217.093086	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M-H+CF3COOH"	112.985586
"1301515"	253.069764	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Cl+CF3COOH"	148.962264
"1379314"	69.094824	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H-2H2O"	-35.012676
"1391708"	87.1048	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H-H2O"	-17.0027
"291394"	209.222276	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+H"	1.007276
"684909"	313.329776	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+H"	1.007276
"1361259"	105.114776	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H"	1.007276
"138524"	105.114776	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+2H"	2.014552
"574802"	157.168526	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+2H"	2.014552
"1041416"	53.061026	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2H"	2.014552
"216607"	70.412276	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+3H"	3.021828
"653255"	105.114776	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+3H"	3.021828
"1168099"	35.709776	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+3H"	3.021828
"434653"	226.248823	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+NH4"	18.033823
"792368"	330.356323	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+NH4"	18.033823
"1693802"	122.141323	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+NH4"	18.033823
"334790"	113.6280495	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+H+NH4"	19.041099
"730490"	165.6817995	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+H+NH4"	19.041099
"1489777"	61.5742995	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H+NH4"	19.041099
"401892"	231.204218	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+Na"	22.989218
"766898"	335.311718	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+Na"	22.989218
"1612082"	127.096718	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Na"	22.989218
"322121"	116.105747	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+H+Na"	23.996494
"711261"	168.159497	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+H+Na"	23.996494
"1467268"	64.051997	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H+Na"	23.996494
"1058327"	43.03709	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2H+Na"	25.00377
"1261100"	137.140986	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+CH3OH+H"	33.033486
"386236"	247.178158	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+K"	38.963158
"750515"	351.285658	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+K"	38.963158
"1552565"	143.070658	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+K"	38.963158
"309742"	124.092717	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+H+K"	39.970434
"699977"	176.146467	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+H+K"	39.970434
"1453798"	72.038967	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H+K"	39.970434
"250787"	250.248826	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+ACN+H"	42.033826
"1225200"	146.141326	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+ACN+H"	42.033826
"1208845"	73.574301	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+ACN+2H"	43.041102
"202923"	253.18616	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+2Na-H"	44.97116
"642851"	357.29366	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+2Na-H"	44.97116
"1145503"	149.07866	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2Na-H"	44.97116
"184783"	127.096718	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+2Na"	45.978436
"624345"	179.150468	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+2Na"	45.978436
"1124570"	75.042968	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2Na"	45.978436
"1410285"	50.364404	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H+2Na"	46.985712
"1431464"	151.120246	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H+HCOOH"	47.012746
"220552"	132.12974	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+3H2O+2H"	56.04448
"1509223"	165.17229	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+IsoProp+H"	61.06479
"413284"	135.083688	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+Na+K"	61.952376
"783762"	187.137438	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+Na+K"	61.952376
"1678266"	83.029938	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Na+K"	61.952376
"265154"	272.230768	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+ACN+Na"	64.015768
"1236402"	168.123268	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+ACN+Na"	64.015768
"1726028"	168.146793	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+NH4+HCOOH"	64.039293
"1193198"	57.691718	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+3Na"	68.967654
"1663820"	173.102188	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Na+HCOOH"	68.994688
"171532"	285.13404	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+2K-H"	76.91904
"610969"	389.24154	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+2K-H"	76.91904
"1099376"	181.02654	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2K-H"	76.91904
"156070"	143.070658	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"2M+2K"	77.926316
"596354"	195.124408	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"3M+2K"	77.926316
"1078923"	91.016908	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2K"	77.926316
"1114199"	183.041092	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2K+H"	78.933592
"1341959"	183.128707	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+DMSO+H"	79.021207
"1012672"	187.167876	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2ACN+H"	83.060376
"1526429"	188.161508	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+IsoProp+Na+H"	84.054008
"993970"	94.087576	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+2ACN+2H"	84.067652
"1588837"	189.076128	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+K+HCOOH"	84.968628
"1415356"	219.107638	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+H+CF3COOH"	115.000138
"1147833"	114.600851	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+3ACN+2H"	125.094202
"1700544"	236.134185	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+NH4+CF3COOH"	132.026685
"1641666"	241.08958	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+Na+CF3COOH"	136.98208
"1579505"	257.06352	"C00114"	"Choline;Bilineurine"	"C5H14NO"	"104.1075"	"M+K+CF3COOH"	152.95602
"809869"	92.0473	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M"	0
"979028"	73.02891	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-H2O-H"	-19.01839
"76019"	60.3575906666667	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M-3H"	-3.021828
"511205"	91.040024	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M-3H"	-3.021828
"887912"	29.6751573333333	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-3H"	-3.021828
"7582"	91.040024	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M-2H"	-2.014552
"443859"	137.063674	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M-2H"	-2.014552
"827130"	45.016374	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-2H"	-2.014552
"87121"	183.087324	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M-H"	-1.007276
"528869"	275.134624	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M-H"	-1.007276
"908856"	91.040024	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-H"	-1.007276
"54484"	200.113871	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M-2H+NH4"	16.019271
"491862"	292.161171	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M-2H+NH4"	16.019271
"875127"	108.066571	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-2H+NH4"	16.019271
"35740"	205.069266	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M-2H+Na"	20.974666
"479308"	297.116566	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M-2H+Na"	20.974666
"856024"	113.021966	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-2H+Na"	20.974666
"1625557"	113.021966	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Na-2H"	20.974666
"104274"	109.028363	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M-H+Cl"	33.962126
"539461"	155.052013	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M-H+Cl"	33.962126
"932977"	63.004713	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-H+Cl"	33.962126
"281984"	219.064002	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+Cl"	34.969402
"671610"	311.111302	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+Cl"	34.969402
"1286812"	127.016702	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Cl"	34.969402
"29486"	221.043206	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M-2H+K"	36.948606
"469775"	313.090506	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M-2H+K"	36.948606
"846484"	128.995906	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-2H+K"	36.948606
"1561951"	128.995906	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+K-2H"	36.948606
"950927"	137.045494	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-H+HCOOH"	44.998194
"370240"	229.092801	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+HCOOH-H"	44.998201
"359598"	243.108451	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+Hac-H"	59.013851
"1505879"	151.061151	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Hac-H"	59.013851
"967225"	159.027451	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-H+NaCOOH"	66.980151
"114672"	127.016702	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+2Cl"	69.938804
"557879"	173.040352	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+2Cl"	69.938804
"1031052"	80.993052	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2Cl"	69.938804
"1249541"	170.966185	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Br"	78.918885
"1313084"	173.022172	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Cl+HCOOH"	80.974872
"1329487"	195.004129	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Cl+NaCOOH"	102.956829
"920546"	205.032886	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M-H+CF3COOH"	112.985586
"1298347"	241.009564	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Cl+CF3COOH"	148.962264
"1379789"	57.034624	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H-2H2O"	-35.012676
"1389632"	75.0446	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H-H2O"	-17.0027
"293690"	185.101876	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+H"	1.007276
"681739"	277.149176	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+H"	1.007276
"1363193"	93.054576	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H"	1.007276
"138998"	93.054576	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+2H"	2.014552
"572725"	139.078226	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+2H"	2.014552
"1044807"	47.030926	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2H"	2.014552
"215989"	62.3721426666667	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+3H"	3.021828
"654095"	93.054576	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+3H"	3.021828
"1167117"	31.6897093333333	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+3H"	3.021828
"433671"	202.128423	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+NH4"	18.033823
"793572"	294.175723	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+NH4"	18.033823
"1696464"	110.081123	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+NH4"	18.033823
"338180"	101.5678495	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+H+NH4"	19.041099
"736793"	147.5914995	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+H+NH4"	19.041099
"1488791"	55.5441995	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H+NH4"	19.041099
"399816"	207.083818	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+Na"	22.989218
"765186"	299.131118	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+Na"	22.989218
"1612192"	115.036518	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Na"	22.989218
"321138"	104.045547	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+H+Na"	23.996494
"711371"	150.069197	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+H+Na"	23.996494
"1470658"	58.021897	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H+Na"	23.996494
"1060624"	39.0170233333333	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2H+Na"	25.00377
"1263397"	125.080786	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+CH3OH+H"	33.033486
"385255"	223.057758	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+K"	38.963158
"752813"	315.105058	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+K"	38.963158
"1552675"	131.010458	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+K"	38.963158
"308758"	112.032517	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+H+K"	39.970434
"702275"	158.056167	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+H+K"	39.970434
"1459376"	66.008867	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H+K"	39.970434
"251222"	226.128426	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+ACN+H"	42.033826
"1225273"	134.081126	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+ACN+H"	42.033826
"1209075"	67.544201	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+ACN+2H"	43.041102
"199628"	229.06576	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+2Na-H"	44.97116
"643568"	321.11306	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+2Na-H"	44.97116
"1144884"	137.01846	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2Na-H"	44.97116
"185987"	115.036518	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+2Na"	45.978436
"624455"	161.060168	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+2Na"	45.978436
"1126869"	69.012868	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2Na"	45.978436
"1410395"	46.3443373333333	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H+2Na"	46.985712
"1432666"	139.060046	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H+HCOOH"	47.012746
"225641"	120.06954	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+3H2O+2H"	56.04448
"1511519"	153.11209	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+IsoProp+H"	61.06479
"415580"	123.023488	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+Na+K"	61.952376
"784962"	169.047138	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+Na+K"	61.952376
"1677283"	76.999838	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Na+K"	61.952376
"264535"	248.110368	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+ACN+Na"	64.015768
"1235420"	156.063068	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+ACN+Na"	64.015768
"1726137"	156.086593	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+NH4+HCOOH"	64.039293
"1193430"	53.6716513333333	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+3Na"	68.967654
"1664418"	161.041988	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Na+HCOOH"	68.994688
"166417"	261.01364	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+2K-H"	76.91904
"611448"	353.06094	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+2K-H"	76.91904
"1099608"	168.96634	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2K-H"	76.91904
"155814"	131.010458	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"2M+2K"	77.926316
"594519"	177.034108	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"3M+2K"	77.926316
"1076846"	84.986808	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2K"	77.926316
"1111151"	170.980892	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2K+H"	78.933592
"1340976"	171.068507	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+DMSO+H"	79.021207
"1009866"	175.107676	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2ACN+H"	83.060376
"1526903"	176.101308	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+IsoProp+Na+H"	84.054008
"994079"	88.057476	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+2ACN+2H"	84.067652
"1587854"	177.015928	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+K+HCOOH"	84.968628
"1414250"	207.047438	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+H+CF3COOH"	115.000138
"1150009"	108.570751	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+3ACN+2H"	125.094202
"1698465"	224.073985	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+NH4+CF3COOH"	132.026685
"1641776"	229.02938	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+Na+CF3COOH"	136.98208
"1579615"	245.00332	"C00116"	"Glycerol;Glycerin;123-Trihydroxypropane;123-Propanetriol"	"C3H8O3"	"92.0473"	"M+K+CF3COOH"	152.95602
"809979"	230.0192	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"980231"	211.00081	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"78302"	152.338857333333	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"514595"	229.011924	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"891302"	75.6657906666667	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"7690"	229.011924	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"446156"	344.021524	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"830520"	114.002324	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"88324"	459.031124	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"533111"	689.050324	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"906780"	229.011924	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"60061"	476.057671	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"494154"	706.076871	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"871955"	246.038471	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"42045"	481.013066	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"479419"	711.032266	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"857227"	250.993866	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1625667"	250.993866	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"105477"	247.000263	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"540664"	362.009863	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"936367"	131.990663	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"280392"	495.007802	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"674515"	725.027002	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1285222"	264.988602	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"30085"	496.987006	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"469156"	727.006206	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"846958"	266.967806	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1563154"	266.967806	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"950673"	275.017394	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"370350"	505.036601	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"355328"	519.052251	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1504532"	289.033051	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"972436"	296.999351	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"115511"	264.988602	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"555802"	379.998202	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1027881"	149.979002	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1248558"	308.938085	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1313194"	310.994072	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1329597"	332.976029	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"923571"	343.004786	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1299550"	378.981464	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1380264"	195.006524	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1393021"	213.0165	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"294165"	461.045676	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"681849"	691.064876	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1364761"	231.026476	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"138015"	231.026476	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"574658"	346.036076	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1046740"	116.016876	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"216099"	154.353409333333	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"654569"	231.026476	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1169414"	77.6803426666667	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"434874"	478.072223	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"794775"	708.091423	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1695480"	248.053023	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"335010"	239.5397495	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"736174"	354.5493495	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1486715"	124.5301495	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"401019"	483.027618	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"763110"	713.046818	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1611209"	253.008418	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"323435"	242.017447	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"709295"	357.027047	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1470769"	127.007847	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1058547"	85.0076566666667	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1264601"	263.052686	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"387552"	499.001558	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"749641"	729.020758	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1552785"	268.982358	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"308868"	250.004417	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"702385"	365.014017	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1458758"	134.994817	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"250521"	502.072226	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1224446"	272.053026	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1208326"	136.530151	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"198644"	505.00956	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"642579"	735.02876	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1144993"	274.99036	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"182817"	253.008418	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"624565"	368.018018	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1128072"	137.998818	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1411598"	92.3349706666667	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1431317"	277.031946	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"223565"	258.04144	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1512722"	291.08399	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"414597"	260.995388	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"784344"	376.004988	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1679579"	145.985788	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"266466"	524.054168	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1238809"	294.034968	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1727340"	294.058493	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1193908"	99.6622846666667	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1664771"	299.013888	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"171994"	536.95744	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"612167"	766.97664	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1098867"	306.93824	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"156533"	268.982358	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"594629"	383.991958	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1076956"	153.972758	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1111261"	308.952792	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1341086"	309.040407	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1008154"	313.079576	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1527377"	314.073208	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"991399"	157.043426	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1589062"	314.987828	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1419830"	345.019338	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1153399"	177.556701	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1700763"	362.045885	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1640793"	367.00128	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1579725"	382.97522	"C00117"	"D-Ribose 5-phosphate;Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"810089"	169.998	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M"	0
"982527"	150.97961	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H2O-H"	-19.01839
"66395"	112.324724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-3H"	-3.021828
"515434"	168.990724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-3H"	-3.021828
"890318"	55.658724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-3H"	-3.021828
"5612"	168.990724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H"	-2.014552
"444079"	253.989724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H"	-2.014552
"827350"	83.991724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H"	-2.014552
"87340"	338.988724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-H"	-1.007276
"531276"	508.986724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-H"	-1.007276
"903610"	168.990724	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H"	-1.007276
"56892"	356.015271	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H+NH4"	16.019271
"492077"	526.013271	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H+NH4"	16.019271
"872065"	186.017271	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H+NH4"	16.019271
"35595"	360.970666	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H+Na"	20.974666
"476249"	530.968666	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H+Na"	20.974666
"858430"	190.972666	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H+Na"	20.974666
"1626870"	190.972666	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na-2H"	20.974666
"102306"	186.979063	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-H+Cl"	33.962126
"539680"	271.978063	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-H+Cl"	33.962126
"936477"	101.980063	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+Cl"	33.962126
"279408"	374.965402	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Cl"	34.969402
"667456"	544.963402	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+Cl"	34.969402
"1286420"	204.967402	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl"	34.969402
"28977"	376.944606	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H+K"	36.948606
"465256"	546.942606	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H+K"	36.948606
"845245"	206.946606	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H+K"	36.948606
"1561077"	206.946606	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K-2H"	36.948606
"951147"	214.996194	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+HCOOH"	44.998194
"372282"	384.994201	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+HCOOH-H"	44.998201
"355438"	399.009851	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Hac-H"	59.013851
"1504641"	229.011851	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Hac-H"	59.013851
"971815"	236.978151	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+NaCOOH"	66.980151
"113433"	204.967402	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2Cl"	69.938804
"555908"	289.966402	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2Cl"	69.938804
"1027991"	119.968402	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2Cl"	69.938804
"1251946"	248.916885	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Br"	78.918885
"1314396"	250.972872	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl+HCOOH"	80.974872
"1329705"	272.954829	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl+NaCOOH"	102.956829
"924044"	282.983586	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+CF3COOH"	112.985586
"1301845"	318.960264	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl+CF3COOH"	148.962264
"1379279"	134.985324	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H-2H2O"	-35.012676
"1392767"	152.9953	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H-H2O"	-17.0027
"294639"	341.003276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H"	1.007276
"685240"	511.001276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H"	1.007276
"1362685"	171.005276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H"	1.007276
"138853"	171.005276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2H"	2.014552
"572946"	256.004276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2H"	2.014552
"1049402"	86.006276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2H"	2.014552
"216209"	114.339276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+3H"	3.021828
"654678"	171.005276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+3H"	3.021828
"1172805"	57.673276	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+3H"	3.021828
"428424"	358.029823	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+NH4"	18.033823
"793792"	528.027823	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+NH4"	18.033823
"1693404"	188.031823	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+NH4"	18.033823
"337306"	179.5185495	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H+NH4"	19.041099
"734098"	264.5175495	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H+NH4"	19.041099
"1486825"	94.5195495	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+NH4"	19.041099
"397850"	362.985218	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Na"	22.989218
"762127"	532.983218	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+Na"	22.989218
"1610226"	192.987218	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na"	22.989218
"321358"	181.996247	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H+Na"	23.996494
"710499"	266.995247	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H+Na"	23.996494
"1468692"	96.997247	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+Na"	23.996494
"1057564"	65.00059	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2H+Na"	25.00377
"1262524"	203.031486	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+CH3OH+H"	33.033486
"387661"	378.959158	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+K"	38.963158
"750844"	548.957158	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+K"	38.963158
"1550708"	208.961158	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K"	38.963158
"308978"	189.983217	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H+K"	39.970434
"702495"	274.982217	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H+K"	39.970434
"1457775"	104.984217	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+K"	39.970434
"248564"	382.029826	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+ACN+H"	42.033826
"1220908"	212.031826	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+ACN+H"	42.033826
"1206613"	106.519551	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+ACN+2H"	43.041102
"196568"	384.96716	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2Na-H"	44.97116
"640503"	554.96516	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2Na-H"	44.97116
"1142189"	214.96916	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2Na-H"	44.97116
"183292"	192.987218	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2Na"	45.978436
"623947"	277.986218	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2Na"	45.978436
"1125631"	107.988218	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2Na"	45.978436
"1411708"	72.327904	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+2Na"	46.985712
"1431791"	217.010746	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+HCOOH"	47.012746
"221486"	198.02024	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+3H2O+2H"	56.04448
"1510646"	231.06279	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+IsoProp+H"	61.06479
"414707"	200.974188	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Na+K"	61.952376
"785182"	285.973188	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+Na+K"	61.952376
"1674220"	115.975188	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na+K"	61.952376
"265483"	404.011768	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+ACN+Na"	64.015768
"1238919"	234.013768	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+ACN+Na"	64.015768
"1728098"	234.037293	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+NH4+HCOOH"	64.039293
"1194015"	79.655218	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+3Na"	68.967654
"1658683"	238.992688	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na+HCOOH"	68.994688
"163357"	416.91504	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2K-H"	76.91904
"611423"	586.91304	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2K-H"	76.91904
"1096175"	246.91704	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2K-H"	76.91904
"154089"	208.961158	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2K"	77.926316
"591459"	293.960158	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2K"	77.926316
"1073421"	123.962158	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2K"	77.926316
"1111371"	248.931592	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2K+H"	78.933592
"1341196"	249.019207	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+DMSO+H"	79.021207
"1007900"	253.058376	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2ACN+H"	83.060376
"1526393"	254.052008	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+IsoProp+Na+H"	84.054008
"993210"	127.032826	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2ACN+2H"	84.067652
"1589901"	254.966628	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K+HCOOH"	84.968628
"1419940"	284.998138	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+CF3COOH"	115.000138
"1153509"	147.546101	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+3ACN+2H"	125.094202
"1700873"	302.024685	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+NH4+CF3COOH"	132.026685
"1640903"	306.98008	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na+CF3COOH"	136.98208
"1579835"	322.95402	"C00118"	"D-Glyceraldehyde 3-phosphate;(2R)-2-Hydroxy-3-(phosphonooxy)-propanal;Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K+CF3COOH"	152.95602
"810199"	389.9518	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M"	0
"981544"	370.93341	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-H2O-H"	-19.01839
"65412"	258.960590666667	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M-3H"	-3.021828
"514815"	388.944524	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M-3H"	-3.021828
"889335"	128.976657333333	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-3H"	-3.021828
"3535"	388.944524	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M-2H"	-2.014552
"442002"	583.920424	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M-2H"	-2.014552
"825273"	193.968624	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-2H"	-2.014552
"86358"	778.896324	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M-H"	-1.007276
"529200"	1168.848124	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M-H"	-1.007276
"908094"	388.944524	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-H"	-1.007276
"58097"	795.922871	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M-2H+NH4"	16.019271
"496562"	1185.874671	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M-2H+NH4"	16.019271
"872176"	405.971071	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-2H+NH4"	16.019271
"35706"	800.878266	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M-2H+Na"	20.974666
"473443"	1190.830066	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M-2H+Na"	20.974666
"858540"	410.926466	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-2H+Na"	20.974666
"1629167"	410.926466	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Na-2H"	20.974666
"102416"	406.932863	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M-H+Cl"	33.962126
"543071"	601.908763	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M-H+Cl"	33.962126
"939139"	211.956963	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-H+Cl"	33.962126
"280247"	814.873002	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+Cl"	34.969402
"670846"	1204.824802	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+Cl"	34.969402
"1285074"	424.921202	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Cl"	34.969402
"26901"	816.852206	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M-2H+K"	36.948606
"467918"	1206.804006	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M-2H+K"	36.948606
"847907"	426.900406	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-2H+K"	36.948606
"1564467"	426.900406	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+K-2H"	36.948606
"954173"	434.949994	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-H+HCOOH"	44.998194
"372392"	824.901801	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+HCOOH-H"	44.998201
"354454"	838.917451	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+Hac-H"	59.013851
"1506204"	448.965651	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Hac-H"	59.013851
"969376"	456.931951	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-H+NaCOOH"	66.980151
"115001"	424.921202	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+2Cl"	69.938804
"553102"	619.897102	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+2Cl"	69.938804
"1022265"	229.945302	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2Cl"	69.938804
"1252785"	468.870685	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Br"	78.918885
"1314506"	470.926672	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Cl+HCOOH"	80.974872
"1332001"	492.908629	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Cl+NaCOOH"	102.956829
"920873"	502.937386	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M-H+CF3COOH"	112.985586
"1301591"	538.914064	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Cl+CF3COOH"	148.962264
"1377566"	354.939124	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H-2H2O"	-35.012676
"1391053"	372.9491	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H-H2O"	-17.0027
"291834"	780.910876	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+H"	1.007276
"688633"	1170.862676	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+H"	1.007276
"1363523"	390.959076	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H"	1.007276
"139690"	390.959076	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+2H"	2.014552
"574149"	585.934976	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+2H"	2.014552
"1049877"	195.983176	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2H"	2.014552
"218508"	260.975142666667	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+3H"	3.021828
"653696"	390.959076	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+3H"	3.021828
"1168542"	130.991209333333	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+3H"	3.021828
"430718"	797.937423	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+NH4"	18.033823
"793901"	1187.889223	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+NH4"	18.033823
"1693514"	407.985623	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+NH4"	18.033823
"337416"	399.4723495	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+H+NH4"	19.041099
"733114"	594.4482495	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+H+NH4"	19.041099
"1486936"	204.4964495	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H+NH4"	19.041099
"399054"	802.892818	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+Na"	22.989218
"760050"	1192.844618	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+Na"	22.989218
"1610338"	412.941018	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Na"	22.989218
"322563"	401.950047	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+H+Na"	23.996494
"714982"	596.925947	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+H+Na"	23.996494
"1467709"	206.974147	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H+Na"	23.996494
"1062048"	138.318523333333	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2H+Na"	25.00377
"1263728"	422.985286	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+CH3OH+H"	33.033486
"388867"	818.866758	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+K"	38.963158
"749861"	1208.818558	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+K"	38.963158
"1549725"	428.914958	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+K"	38.963158
"306901"	409.937017	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+H+K"	39.970434
"704429"	604.912917	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+H+K"	39.970434
"1460681"	214.961117	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H+K"	39.970434
"249038"	821.937426	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+ACN+H"	42.033826
"1222111"	431.985626	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+ACN+H"	42.033826
"1206359"	216.496451	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+ACN+2H"	43.041102
"199595"	824.87476	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+2Na-H"	44.97116
"640613"	1214.82656	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+2Na-H"	44.97116
"1139747"	434.92296	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2Na-H"	44.97116
"183768"	412.941018	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+2Na"	45.978436
"624057"	607.916918	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+2Na"	45.978436
"1125009"	217.965118	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2Na"	45.978436
"1407078"	145.645837333333	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H+2Na"	46.985712
"1432994"	436.964546	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H+HCOOH"	47.012746
"221596"	417.97404	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+3H2O+2H"	56.04448
"1511848"	451.01659	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+IsoProp+H"	61.06479
"410078"	420.927988	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+Na+K"	61.952376
"784806"	615.903888	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+Na+K"	61.952376
"1673966"	225.952088	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Na+K"	61.952376
"266932"	843.919368	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+ACN+Na"	64.015768
"1239030"	453.967568	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+ACN+Na"	64.015768
"1727923"	453.991093	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+NH4+HCOOH"	64.039293
"1193961"	152.973151333333	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+3Na"	68.967654
"1656606"	458.946488	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Na+HCOOH"	68.994688
"163467"	856.82264	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+2K-H"	76.91904
"612142"	1246.77444	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+2K-H"	76.91904
"1096285"	466.87084	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2K-H"	76.91904
"156265"	428.914958	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"2M+2K"	77.926316
"594728"	623.890858	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"3M+2K"	77.926316
"1076083"	233.939058	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2K"	77.926316
"1114156"	468.885392	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2K+H"	78.933592
"1344586"	468.973007	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+DMSO+H"	79.021207
"1012023"	473.012176	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2ACN+H"	83.060376
"1527963"	474.005808	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+IsoProp+Na+H"	84.054008
"991008"	237.009726	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+2ACN+2H"	84.067652
"1593291"	474.920428	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+K+HCOOH"	84.968628
"1418956"	504.951938	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+H+CF3COOH"	115.000138
"1153619"	257.523001	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+3ACN+2H"	125.094202
"1702076"	521.978485	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+NH4+CF3COOH"	132.026685
"1641013"	526.93388	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+Na+CF3COOH"	136.98208
"1579945"	542.90782	"C00119"	"5-Phospho-alpha-D-ribose 1-diphosphate;5-Phosphoribosyl diphosphate;5-Phosphoribosyl 1-pyrophosphate;PRPP"	"C5H13O14P3"	"389.9518"	"M+K+CF3COOH"	152.95602
"801684"	244.0882	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M"	0
"980566"	225.06981	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-H2O-H"	-19.01839
"68806"	161.718190666667	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M-3H"	-3.021828
"510552"	243.080924	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M-3H"	-3.021828
"889447"	80.3554573333333	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-3H"	-3.021828
"5836"	243.080924	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M-2H"	-2.014552
"445395"	365.125024	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M-2H"	-2.014552
"819915"	121.036824	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-2H"	-2.014552
"83183"	487.169124	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M-H"	-1.007276
"523841"	731.257324	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M-H"	-1.007276
"904924"	243.080924	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-H"	-1.007276
"50550"	504.195671	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M-2H+NH4"	16.019271
"490111"	748.283871	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M-2H+NH4"	16.019271
"867914"	260.107471	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-2H+NH4"	16.019271
"34725"	509.151066	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M-2H+Na"	20.974666
"471734"	753.239266	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M-2H+Na"	20.974666
"850995"	265.062866	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-2H+Na"	20.974666
"1625999"	265.062866	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Na-2H"	20.974666
"102530"	261.069263	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M-H+Cl"	33.962126
"538809"	383.113363	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M-H+Cl"	33.962126
"931231"	139.025163	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-H+Cl"	33.962126
"270882"	523.145802	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+Cl"	34.969402
"663302"	767.234002	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+Cl"	34.969402
"1273231"	279.057602	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Cl"	34.969402
"18381"	525.125006	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M-2H+K"	36.948606
"458915"	769.213206	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M-2H+K"	36.948606
"841458"	281.036806	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-2H+K"	36.948606
"1559111"	281.036806	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+K-2H"	36.948606
"947727"	289.086394	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-H+HCOOH"	44.998194
"363754"	533.174601	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+HCOOH-H"	44.998201
"350918"	547.190251	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+Hac-H"	59.013851
"1497564"	303.102051	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Hac-H"	59.013851
"958501"	311.068351	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-H+NaCOOH"	66.980151
"110066"	279.057602	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+2Cl"	69.938804
"560512"	401.101702	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+2Cl"	69.938804
"1031496"	157.013502	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2Cl"	69.938804
"1248521"	323.007085	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Br"	78.918885
"1308780"	325.063072	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Cl+HCOOH"	80.974872
"1325551"	347.045029	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Cl+NaCOOH"	102.956829
"917701"	357.073786	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M-H+CF3COOH"	112.985586
"1295504"	393.050464	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Cl+CF3COOH"	148.962264
"1372208"	209.075524	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H-2H2O"	-35.012676
"1386058"	227.0855	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H-H2O"	-17.0027
"288663"	489.183676	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+H"	1.007276
"679988"	733.271876	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+H"	1.007276
"1358529"	245.095476	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H"	1.007276
"129232"	245.095476	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+2H"	2.014552
"575355"	367.139576	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+2H"	2.014552
"1048527"	123.051376	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2H"	2.014552
"212057"	163.732742666667	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+3H"	3.021828
"649432"	245.095476	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+3H"	3.021828
"1170836"	82.3700093333333	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+3H"	3.021828
"429737"	506.210223	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+NH4"	18.033823
"789636"	750.298423	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+NH4"	18.033823
"1691431"	262.122023	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+NH4"	18.033823
"334240"	253.6087495	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+H+NH4"	19.041099
"728849"	375.6528495	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+H+NH4"	19.041099
"1480483"	131.5646495	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H+NH4"	19.041099
"398071"	511.165618	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+Na"	22.989218
"756878"	755.253818	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+Na"	22.989218
"1604128"	267.077418	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Na"	22.989218
"318297"	256.086447	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+H+Na"	23.996494
"708165"	378.130547	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+H+Na"	23.996494
"1464540"	134.042347	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H+Na"	23.996494
"1061066"	89.6973233333333	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2H+Na"	25.00377
"1267120"	277.121686	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+CH3OH+H"	33.033486
"388975"	527.139558	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+K"	38.963158
"751062"	771.227758	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+K"	38.963158
"1553117"	283.051358	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+K"	38.963158
"313577"	264.073417	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+H+K"	39.970434
"705998"	386.117517	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+H+K"	39.970434
"1460790"	142.029317	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H+K"	39.970434
"248421"	530.210226	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+ACN+H"	42.033826
"1222224"	286.122026	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+ACN+H"	42.033826
"1207929"	143.564651	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+ACN+2H"	43.041102
"198979"	533.14756	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+2Na-H"	44.97116
"639996"	777.23576	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+2Na-H"	44.97116
"1143501"	289.05936	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2Na-H"	44.97116
"184606"	267.077418	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+2Na"	45.978436
"625623"	389.121518	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+2Na"	45.978436
"1127672"	145.033318	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2Na"	45.978436
"1410474"	97.0246373333333	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H+2Na"	46.985712
"1438578"	291.100946	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H+HCOOH"	47.012746
"227180"	272.11044	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+3H2O+2H"	56.04448
"1517431"	305.15299	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+IsoProp+H"	61.06479
"417117"	275.064388	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+Na+K"	61.952376
"779205"	397.108488	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+Na+K"	61.952376
"1673352"	153.020288	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Na+K"	61.952376
"264613"	552.192168	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+ACN+Na"	64.015768
"1234771"	308.103968	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+ACN+Na"	64.015768
"1724021"	308.127493	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+NH4+HCOOH"	64.039293
"1191199"	104.351951333333	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+3Na"	68.967654
"1662183"	313.082888	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Na+HCOOH"	68.994688
"171111"	565.09544	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+2K-H"	76.91904
"607507"	809.18364	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+2K-H"	76.91904
"1093116"	321.00724	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2K-H"	76.91904
"154309"	283.051358	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"2M+2K"	77.926316
"588400"	405.095458	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"3M+2K"	77.926316
"1076194"	161.007258	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2K"	77.926316
"1103936"	323.021792	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2K+H"	78.933592
"1339228"	323.109407	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+DMSO+H"	79.021207
"1011038"	327.148576	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2ACN+H"	83.060376
"1525887"	328.142208	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+IsoProp+Na+H"	84.054008
"991481"	164.077926	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+2ACN+2H"	84.067652
"1593403"	329.056828	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+K+HCOOH"	84.968628
"1415783"	359.088338	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+H+CF3COOH"	115.000138
"1149355"	184.591201	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+3ACN+2H"	125.094202
"1699999"	376.114885	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+NH4+CF3COOH"	132.026685
"1641123"	381.07028	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+Na+CF3COOH"	136.98208
"1580055"	397.04422	"C00120"	"Biotin;D-Biotin;Vitamin H;Coenzyme R"	"C10H16N2O3S"	"244.0882"	"M+K+CF3COOH"	152.95602
"809326"	150.0528	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M"	0
"980676"	131.03441	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"70009"	99.027924	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"508475"	149.045524	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"885182"	49.010324	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"1570"	149.045524	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"441493"	224.071924	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"819292"	74.019124	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"79895"	299.098324	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"521037"	449.151124	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"898105"	149.045524	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"49569"	316.124871	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"490218"	466.177671	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"866565"	166.072071	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"34102"	321.080266	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"474399"	471.133066	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"855480"	171.027466	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1626111"	171.027466	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"102640"	167.033863	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"541108"	242.060263	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"929519"	92.007463	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"269169"	335.075002	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"662319"	485.127802	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1275085"	185.022202	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"16548"	337.054206	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"462305"	487.107006	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"836826"	187.001406	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1559222"	187.001406	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"948566"	195.050994	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"366053"	345.103801	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"351029"	359.119451	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1497311"	209.066651	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"959991"	217.032951	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"110720"	185.022202	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"559528"	260.048602	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1028328"	109.995802	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1247902"	228.971685	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1310350"	231.027672	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1324200"	253.009629	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"916354"	263.038386	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1289902"	299.015064	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1372317"	115.040124	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1386171"	133.0501	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"285126"	301.112876	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"682652"	451.165676	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1360828"	151.060076	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"130436"	151.060076	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"576558"	226.086476	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1046453"	76.033676	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"212167"	101.042476	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"653913"	151.060076	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1166573"	51.024876	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"427291"	318.139423	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"791933"	468.192223	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1688264"	168.086623	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"336538"	159.5733495	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"724953"	234.5997495	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1481688"	84.5469495	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"397084"	323.094818	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"756992"	473.147618	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1605092"	173.042018	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"316221"	162.051047	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"709007"	237.077447	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1462099"	87.024647	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1062270"	58.35219	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1266136"	183.086286	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"387991"	339.068758	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"752269"	489.121558	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1554324"	189.015958	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"312595"	170.038017	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"704653"	245.064417	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1455556"	95.011617	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"245251"	342.139426	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1220147"	192.086626	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1204028"	96.546951	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"199089"	345.07676	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"637554"	495.12956	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1143246"	195.02396	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"182163"	173.042018	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"626097"	248.068418	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1126322"	98.015618	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1411314"	65.679504	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1441243"	197.065546	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"230939"	178.07504	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1517541"	211.11759	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"418685"	181.028988	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"777860"	256.055388	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1674191"	106.002588	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"258524"	364.121368	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1236337"	214.068568	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1721575"	214.092093	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1190212"	73.006818	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1662656"	219.047488	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"172603"	377.02464	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"608714"	527.07744	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1093226"	226.97184	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"154418"	189.015958	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"595563"	264.042358	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1076304"	113.989558	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1103681"	228.986392	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1339339"	229.074007	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1010055"	233.113176	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1525510"	234.106808	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"992445"	117.060226	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1592419"	235.021428	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1415893"	265.052938	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1152744"	137.573501	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1703391"	282.079485	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1647791"	287.03488	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1580165"	303.00882	"C00121"	"D-Ribose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"809436"	116.011	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M"	0
"980785"	96.99261	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H2O-H"	-19.01839
"67932"	76.3333906666667	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-3H"	-3.021828
"509678"	115.003724	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-3H"	-3.021828
"883105"	37.6630573333333	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-3H"	-3.021828
"1679"	115.003724	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H"	-2.014552
"441239"	173.009224	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H"	-2.014552
"817944"	56.998224	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H"	-2.014552
"78992"	231.014724	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-H"	-1.007276
"519321"	347.025724	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-H"	-1.007276
"897123"	115.003724	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H"	-1.007276
"48583"	248.041271	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H+NH4"	16.019271
"489962"	364.052271	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H+NH4"	16.019271
"866671"	132.030271	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H+NH4"	16.019271
"32994"	252.996666	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H+Na"	20.974666
"475601"	369.007666	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H+Na"	20.974666
"858876"	136.985666	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H+Na"	20.974666
"1622942"	136.985666	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na-2H"	20.974666
"97282"	132.992063	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-H+Cl"	33.962126
"539029"	190.997563	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-H+Cl"	33.962126
"932544"	74.986563	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+Cl"	33.962126
"272193"	266.991402	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Cl"	34.969402
"662429"	383.002402	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+Cl"	34.969402
"1273124"	150.980402	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl"	34.969402
"16038"	268.970606	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H+K"	36.948606
"459134"	384.981606	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H+K"	36.948606
"833775"	152.959606	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H+K"	36.948606
"1558238"	152.959606	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K-2H"	36.948606
"946120"	161.009194	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+HCOOH"	44.998194
"366525"	277.020201	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+HCOOH-H"	44.998201
"350407"	291.035851	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Hac-H"	59.013851
"1495961"	175.024851	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Hac-H"	59.013851
"958885"	182.991151	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+NaCOOH"	66.980151
"118617"	150.980402	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2Cl"	69.938804
"554171"	208.985902	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2Cl"	69.938804
"1029532"	92.974902	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2Cl"	69.938804
"1251294"	194.929885	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Br"	78.918885
"1313742"	196.985872	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl+HCOOH"	80.974872
"1327957"	218.967829	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl+NaCOOH"	102.956829
"915734"	228.996586	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+CF3COOH"	112.985586
"1292445"	264.973264	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl+CF3COOH"	148.962264
"1370238"	80.998324	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H-2H2O"	-35.012676
"1388102"	99.0083	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H-H2O"	-17.0027
"287790"	233.029276	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H"	1.007276
"681309"	349.040276	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H"	1.007276
"1362033"	117.018276	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H"	1.007276
"139295"	117.018276	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2H"	2.014552
"576668"	175.023776	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2H"	2.014552
"1046564"	59.012776	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2H"	2.014552
"215555"	78.3479426666667	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+3H"	3.021828
"657303"	117.018276	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+3H"	3.021828
"1166683"	39.6776093333333	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+3H"	3.021828
"434329"	250.055823	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+NH4"	18.033823
"792043"	366.066823	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+NH4"	18.033823
"1688373"	134.044823	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+NH4"	18.033823
"334099"	125.5315495	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H+NH4"	19.041099
"724696"	183.5370495	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H+NH4"	19.041099
"1478638"	67.5260495	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+NH4"	19.041099
"394648"	255.011218	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Na"	22.989218
"759291"	371.022218	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+Na"	22.989218
"1603254"	139.000218	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na"	22.989218
"317789"	128.009247	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H+Na"	23.996494
"709480"	186.014747	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H+Na"	23.996494
"1469134"	70.003747	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+Na"	23.996494
"1057276"	47.0049233333333	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2H+Na"	25.00377
"1266244"	149.044486	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+CH3OH+H"	33.033486
"388830"	270.985158	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+K"	38.963158
"749099"	386.996158	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+K"	38.963158
"1552248"	154.974158	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K"	38.963158
"314001"	135.996217	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H+K"	39.970434
"704760"	194.001717	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H+K"	39.970434
"1453479"	77.990717	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+K"	39.970434
"246455"	274.055826	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+ACN+H"	42.033826
"1215878"	158.044826	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+ACN+H"	42.033826
"1203043"	79.526051	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+ACN+2H"	43.041102
"194824"	276.99316	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2Na-H"	44.97116
"636570"	393.00416	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2Na-H"	44.97116
"1142991"	160.98216	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2Na-H"	44.97116
"184461"	139.000218	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2Na"	45.978436
"624021"	197.005718	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2Na"	45.978436
"1122064"	80.994718	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2Na"	45.978436
"1411422"	54.3322373333333	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+2Na"	46.985712
"1440622"	163.023746	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+HCOOH"	47.012746
"231776"	144.03324	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+3H2O+2H"	56.04448
"1519838"	177.07579	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+IsoProp+H"	61.06479
"418432"	146.987188	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Na+K"	61.952376
"781980"	204.992688	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+Na+K"	61.952376
"1677581"	88.981688	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na+K"	61.952376
"260092"	296.037768	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+ACN+Na"	64.015768
"1236081"	180.026768	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+ACN+Na"	64.015768
"1723145"	180.050293	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+NH4+HCOOH"	64.039293
"1190321"	61.6595513333333	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+3Na"	68.967654
"1662765"	185.005688	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na+HCOOH"	68.994688
"169991"	308.94104	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2K-H"	76.91904
"611982"	424.95204	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2K-H"	76.91904
"1091150"	192.93004	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2K-H"	76.91904
"147965"	154.974158	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2K"	77.926316
"595182"	212.979658	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2K"	77.926316
"1073134"	96.968658	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2K"	77.926316
"1103065"	194.944592	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2K+H"	78.933592
"1339813"	195.032207	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+DMSO+H"	79.021207
"1010167"	199.071376	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2ACN+H"	83.060376
"1525620"	200.065008	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+IsoProp+Na+H"	84.054008
"999119"	100.039326	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2ACN+2H"	84.067652
"1590345"	200.979628	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K+HCOOH"	84.968628
"1418190"	231.011138	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+CF3COOH"	115.000138
"1150666"	120.552601	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+3ACN+2H"	125.094202
"1699490"	248.037685	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+NH4+CF3COOH"	132.026685
"1636966"	252.99308	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na+CF3COOH"	136.98208
"1580274"	268.96702	"C00122"	"Fumarate;Fumaric acid;trans-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K+CF3COOH"	152.95602
"816986"	131.0946	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M"	0
"988551"	112.07621	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"70232"	86.389124	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"510885"	130.087324	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"890873"	42.690924	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"10177"	130.087324	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"450100"	195.634624	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"823527"	64.540024	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"79387"	261.181924	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"518950"	392.276524	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"895786"	130.087324	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"47476"	278.208471	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"489474"	409.303071	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"866062"	147.113871	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"35058"	283.163866	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"471943"	414.258466	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"855704"	152.069266	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1632532"	152.069266	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"107237"	148.075663	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"543515"	213.622963	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"933748"	82.528363	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"269388"	297.158602	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"664725"	428.253202	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1272852"	166.064002	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"16768"	299.137806	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"459244"	430.232406	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"833764"	168.043206	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1557255"	168.043206	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"946594"	176.092794	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"365541"	307.187401	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"350153"	321.203051	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1495706"	190.108451	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"959237"	198.074751	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"120186"	166.064002	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"556469"	231.611302	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1029642"	100.516702	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1252133"	210.013485	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1313853"	212.069472	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1328067"	234.051429	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"915845"	244.080186	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1291461"	280.056864	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1368527"	96.081924	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1384564"	114.0919	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"290088"	263.196476	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"688709"	394.291076	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1357770"	132.101876	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"139406"	132.101876	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"577874"	197.649176	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1046673"	66.554576	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"216396"	88.403676	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"655228"	132.101876	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1166793"	44.705476	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"432253"	280.223023	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"793249"	411.317623	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1688482"	149.128423	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"335668"	140.6151495	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"726268"	206.1624495	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1478628"	75.0678495	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"396217"	285.178418	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"756849"	416.273018	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1602876"	154.083818	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"318265"	143.092847	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"712873"	208.640147	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1468151"	77.545547	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1062490"	52.03279	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1267450"	164.128086	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"391857"	301.152358	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"745928"	432.246958	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1552356"	170.057758	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"307345"	151.079817	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"704141"	216.627117	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1452496"	85.532517	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"243283"	304.223026	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1217082"	173.128426	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1199874"	87.067851	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"193838"	307.16036	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"635587"	438.25496	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1139092"	176.06576	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"182383"	154.083818	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"620849"	219.631118	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1117796"	88.536518	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1410073"	59.360104	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1440732"	178.107346	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"230793"	159.11684	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1519949"	192.15939	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"420729"	162.070788	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"782092"	227.618088	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1678058"	96.523488	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"263850"	326.204968	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1237650"	195.110368	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1725808"	195.133893	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1192984"	66.687418	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1664701"	200.089288	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"172745"	339.10824	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"611485"	470.20284	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1093447"	208.01364	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"153542"	170.057758	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"595293"	235.605058	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1076524"	104.510458	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1106456"	210.028192	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1338828"	210.115807	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1011371"	214.154976	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1527315"	215.148608	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"993765"	107.581126	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1594829"	216.063228	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1420492"	246.094738	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1157342"	128.094401	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1700333"	263.121285	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1643639"	268.07668	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1580384"	284.05062	"C00123"	"L-Leucine;2-Amino-4-methylvaleric acid;(2S)-alpha-2-Amino-4-methylvaleric acid;(2S)-alpha-Leucine"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"810754"	180.0634	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M"	0
"975537"	161.04501	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"67059"	119.034990666667	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"507713"	179.056124	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"883327"	59.0138573333333	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"4089"	179.056124	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"440278"	269.087824	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"817351"	89.024424	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"78960"	359.119524	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"519059"	539.182924	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"895844"	179.056124	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"48429"	376.146071	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"487310"	556.209471	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"864267"	196.082671	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"34075"	381.101466	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"478009"	561.164866	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"853624"	201.038066	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1623157"	201.038066	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"94334"	197.044463	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"534424"	287.076163	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"927330"	107.012763	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"267177"	395.096202	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"660016"	575.159602	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1273015"	215.032802	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"16508"	397.075406	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"456800"	577.138806	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"833750"	217.012006	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1556634"	217.012006	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"943175"	225.061594	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"362123"	405.125001	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"346615"	419.140651	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1493427"	239.077251	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"969196"	247.043551	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"123581"	215.032802	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"559859"	305.064502	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1025378"	125.001102	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1248238"	258.982285	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1313967"	261.038272	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1331463"	283.020229	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919239"	293.048986	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1293761"	329.025664	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1369733"	145.050724	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1385043"	163.0607	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"292385"	361.134076	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"686996"	541.197476	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1360067"	181.070676	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"139518"	181.070676	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"579806"	271.102376	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1045692"	91.038976	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"216872"	121.049542666667	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"657527"	181.070676	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1167267"	61.0284093333333	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"431269"	378.160623	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791902"	558.224023	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1688593"	198.097223	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"336872"	189.5839495	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"724556"	279.6156495	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1480196"	99.5522495	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"396691"	383.116018	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"756594"	563.179418	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1605056"	203.052618	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"318741"	192.061647	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"709702"	282.093347	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1463886"	102.029947	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1057497"	68.3557233333333	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1264278"	213.096886	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"384675"	399.089958	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"743853"	579.153358	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1545905"	219.026558	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"305269"	200.048617	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"700971"	290.080317	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1455887"	110.016917	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"239020"	402.160626	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1216096"	222.097226	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1202175"	111.552251	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"191034"	405.09796	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"633509"	585.16136	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1137015"	225.03456	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"179211"	203.052618	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"618772"	293.084318	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1120098"	113.020918	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1409092"	75.6830373333333	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1442302"	227.076146	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"234430"	208.08564	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520059"	241.12819	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"421934"	211.039588	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"779285"	301.071288	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1675617"	121.007888	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"262136"	424.142568	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1238854"	244.079168	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1727377"	244.102693	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1192851"	83.0103513333333	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1663229"	249.058088	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"172159"	437.04584	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"607951"	617.10924	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1095745"	256.98244	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"149278"	219.026558	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"586652"	309.058258	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1073357"	128.994858	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1106566"	258.996992	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1337844"	259.084607	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1009296"	263.123776	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1528519"	264.117408	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"992050"	132.065526	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1588377"	265.032028	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1417319"	295.063538	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1154168"	152.578801	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1710285"	312.090085	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1641561"	317.04548	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1580495"	333.01942	"C00124"	"D-Galactose;D-Galactopyranose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"814872"	612.152	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M"	0
"977836"	593.13361	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-H2O-H"	-19.01839
"64985"	407.094057333333	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M-3H"	-3.021828
"503815"	611.144724	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M-3H"	-3.021828
"880886"	203.043390666667	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-3H"	-3.021828
"3105"	611.144724	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M-2H"	-2.014552
"443759"	917.220724	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M-2H"	-2.014552
"817552"	305.068724	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-2H"	-2.014552
"80462"	1223.296724	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M-H"	-1.007276
"519291"	1835.448724	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M-H"	-1.007276
"896476"	611.144724	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-H"	-1.007276
"52200"	1240.323271	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M-2H+NH4"	16.019271
"495042"	1852.475271	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M-2H+NH4"	16.019271
"869564"	628.171271	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-2H+NH4"	16.019271
"37468"	1245.278666	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M-2H+Na"	20.974666
"475935"	1857.430666	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M-2H+Na"	20.974666
"857017"	633.126666	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-2H+Na"	20.974666
"1627645"	633.126666	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Na-2H"	20.974666
"104175"	629.133063	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M-H+Cl"	33.962126
"539360"	935.209063	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M-H+Cl"	33.962126
"927123"	323.057063	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-H+Cl"	33.962126
"267448"	1259.273402	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+Cl"	34.969402
"660562"	1871.425402	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+Cl"	34.969402
"1272826"	647.121402	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Cl"	34.969402
"16247"	1261.252606	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M-2H+K"	36.948606
"455708"	1873.404606	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M-2H+K"	36.948606
"832813"	649.100606	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-2H+K"	36.948606
"1555888"	649.100606	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+K-2H"	36.948606
"944630"	657.150194	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-H+HCOOH"	44.998194
"365034"	1269.302201	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+HCOOH-H"	44.998201
"350012"	1283.317851	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+Hac-H"	59.013851
"1496296"	671.165851	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Hac-H"	59.013851
"967121"	679.132151	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-H+NaCOOH"	66.980151
"114215"	647.121402	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+2Cl"	69.938804
"555597"	953.197402	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+2Cl"	69.938804
"1025488"	341.045402	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2Cl"	69.938804
"1246161"	691.070885	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Br"	78.918885
"1314075"	693.126872	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Cl+HCOOH"	80.974872
"1328292"	715.108829	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Cl+NaCOOH"	102.956829
"916068"	725.137586	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M-H+CF3COOH"	112.985586
"1292777"	761.114264	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Cl+CF3COOH"	148.962264
"1369846"	577.139324	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H-2H2O"	-35.012676
"1391717"	595.1493	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H-H2O"	-17.0027
"292498"	1225.311276	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+H"	1.007276
"688203"	1837.463276	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+H"	1.007276
"1359086"	613.159276	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H"	1.007276
"137440"	613.159276	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+2H"	2.014552
"573721"	919.235276	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+2H"	2.014552
"1043613"	307.083276	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2H"	2.014552
"214793"	409.108609333333	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+3H"	3.021828
"654354"	613.159276	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+3H"	3.021828
"1174669"	205.057942666667	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+3H"	3.021828
"436848"	1242.337823	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+NH4"	18.033823
"793469"	1854.489823	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+NH4"	18.033823
"1685788"	630.185823	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+NH4"	18.033823
"333704"	621.6725495	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+H+NH4"	19.041099
"724666"	927.7485495	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+H+NH4"	19.041099
"1478122"	315.5965495	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H+NH4"	19.041099
"394980"	1247.293218	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+Na"	22.989218
"754715"	1859.445218	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+Na"	22.989218
"1604799"	635.141218	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Na"	22.989218
"315324"	624.150247	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+H+Na"	23.996494
"708353"	930.226247	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+H+Na"	23.996494
"1461927"	318.074247	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H+Na"	23.996494
"1053714"	212.385256666667	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2H+Na"	25.00377
"1258190"	645.185486	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+CH3OH+H"	33.033486
"380412"	1263.267158	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+K"	38.963158
"740313"	1875.419158	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+K"	38.963158
"1542370"	651.115158	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+K"	38.963158
"305380"	632.137217	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+H+K"	39.970434
"698896"	938.213217	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+H+K"	39.970434
"1453810"	326.061217	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H+K"	39.970434
"245691"	1266.337826	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+ACN+H"	42.033826
"1212201"	654.185826	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+ACN+H"	42.033826
"1202285"	327.596551	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+ACN+2H"	43.041102
"190781"	1269.27516	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+2Na-H"	44.97116
"629734"	1881.42716	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+2Na-H"	44.97116
"1132875"	657.12316	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2Na-H"	44.97116
"174949"	635.141218	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+2Na"	45.978436
"614510"	941.217218	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+2Na"	45.978436
"1127502"	329.065218	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2Na"	45.978436
"1409205"	219.712570666667	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H+2Na"	46.985712
"1440957"	659.164746	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H+HCOOH"	47.012746
"233450"	640.17424	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+3H2O+2H"	56.04448
"1521634"	673.21679	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+IsoProp+H"	61.06479
"417672"	643.128188	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+Na+K"	61.952376
"782676"	949.204188	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+Na+K"	61.952376
"1674996"	337.052188	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Na+K"	61.952376
"262610"	1288.319768	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+ACN+Na"	64.015768
"1237140"	676.167768	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+ACN+Na"	64.015768
"1726390"	676.191293	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+NH4+HCOOH"	64.039293
"1188464"	227.039884666667	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+3Na"	68.967654
"1658357"	681.146688	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Na+HCOOH"	68.994688
"169593"	1301.22304	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+2K-H"	76.91904
"608060"	1913.37504	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+2K-H"	76.91904
"1092573"	689.07104	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2K-H"	76.91904
"154858"	651.115158	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"2M+2K"	77.926316
"586762"	957.191158	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"3M+2K"	77.926316
"1074561"	345.039158	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2K"	77.926316
"1106676"	691.085592	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2K+H"	78.933592
"1338684"	691.173207	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+DMSO+H"	79.021207
"1007221"	695.212376	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2ACN+H"	83.060376
"1530817"	696.206008	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+IsoProp+Na+H"	84.054008
"993985"	348.109826	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+2ACN+2H"	84.067652
"1593956"	697.120628	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+K+HCOOH"	84.968628
"1423995"	727.152138	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+H+CF3COOH"	115.000138
"1159387"	368.623101	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+3ACN+2H"	125.094202
"1711369"	744.178685	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+NH4+CF3COOH"	132.026685
"1643859"	749.13408	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+Na+CF3COOH"	136.98208
"1580607"	765.10802	"C00127"	"Glutathione disulfide;GSSG;Oxiglutatione;Oxidized glutathione"	"C20H32N6O12S2"	"612.152"	"M+K+CF3COOH"	152.95602
"801450"	614.1473	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M"	0
"981228"	595.12891	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-H2O-H"	-19.01839
"62969"	408.424257333333	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M-3H"	-3.021828
"504288"	613.140024	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M-3H"	-3.021828
"880145"	203.708490666667	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-3H"	-3.021828
"782"	613.140024	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M-2H"	-2.014552
"440953"	920.213674	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M-2H"	-2.014552
"818025"	306.066374	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-2H"	-2.014552
"78606"	1227.287324	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M-H"	-1.007276
"519155"	1841.434624	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M-H"	-1.007276
"896101"	613.140024	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-H"	-1.007276
"51217"	1244.313871	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M-2H+NH4"	16.019271
"492966"	1858.461171	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M-2H+NH4"	16.019271
"867487"	630.166571	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-2H+NH4"	16.019271
"37578"	1249.269266	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M-2H+Na"	20.974666
"478231"	1863.416566	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M-2H+Na"	20.974666
"857127"	635.121966	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-2H+Na"	20.974666
"1626662"	635.121966	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Na-2H"	20.974666
"103192"	631.128363	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M-H+Cl"	33.962126
"539470"	938.202013	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M-H+Cl"	33.962126
"927550"	324.054713	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-H+Cl"	33.962126
"267643"	1263.264002	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+Cl"	34.969402
"661036"	1877.411302	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+Cl"	34.969402
"1273682"	649.116702	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Cl"	34.969402
"16725"	1265.243206	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M-2H+K"	36.948606
"456244"	1879.390506	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M-2H+K"	36.948606
"834576"	651.095906	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-2H+K"	36.948606
"1556126"	651.095906	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+K-2H"	36.948606
"944740"	659.145494	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-H+HCOOH"	44.998194
"364049"	1273.292801	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+HCOOH-H"	44.998201
"346475"	1287.308451	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+Hac-H"	59.013851
"1493482"	673.161151	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Hac-H"	59.013851
"960665"	681.127451	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-H+NaCOOH"	66.980151
"115054"	649.116702	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+2Cl"	69.938804
"556802"	956.190352	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+2Cl"	69.938804
"1028878"	342.043052	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2Cl"	69.938804
"1247364"	693.066185	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Br"	78.918885
"1307625"	695.122172	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Cl+HCOOH"	80.974872
"1327309"	717.104129	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Cl+NaCOOH"	102.956829
"917272"	727.132886	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M-H+CF3COOH"	112.985586
"1296167"	763.109564	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Cl+CF3COOH"	148.962264
"1369956"	579.134624	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H-2H2O"	-35.012676
"1388547"	597.1446	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H-H2O"	-17.0027
"292608"	1229.301876	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+H"	1.007276
"686126"	1843.449176	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+H"	1.007276
"1355916"	615.154576	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H"	1.007276
"137550"	615.154576	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+2H"	2.014552
"573830"	922.228226	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+2H"	2.014552
"1047003"	308.080926	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2H"	2.014552
"215999"	410.438809333333	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+3H"	3.021828
"653374"	615.154576	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+3H"	3.021828
"1173683"	205.723042666667	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+3H"	3.021828
"433675"	1246.328423	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+NH4"	18.033823
"791758"	1860.475723	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+NH4"	18.033823
"1687721"	632.181123	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+NH4"	18.033823
"334180"	623.6678495	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+H+NH4"	19.041099
"724047"	930.7414995	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+H+NH4"	19.041099
"1480055"	316.5941995	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H+NH4"	19.041099
"395454"	1251.283818	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+Na"	22.989218
"756813"	1865.431118	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+Na"	22.989218
"1604908"	637.136518	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Na"	22.989218
"315191"	626.145547	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+H+Na"	23.996494
"708462"	933.219197	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+H+Na"	23.996494
"1463377"	319.071897	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H+Na"	23.996494
"1054311"	213.050356666667	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2H+Na"	25.00377
"1259032"	647.180786	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+CH3OH+H"	33.033486
"384170"	1267.257758	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+K"	38.963158
"744073"	1881.405058	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+K"	38.963158
"1545034"	653.110458	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+K"	38.963158
"308771"	634.132517	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+H+K"	39.970434
"701194"	941.206167	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+H+K"	39.970434
"1453921"	327.058867	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H+K"	39.970434
"244710"	1270.328426	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+ACN+H"	42.033826
"1217419"	656.181126	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+ACN+H"	42.033826
"1199116"	328.594201	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+ACN+2H"	43.041102
"191986"	1273.26576	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+2Na-H"	44.97116
"631545"	1887.41306	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+2Na-H"	44.97116
"1133226"	659.11846	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2Na-H"	44.97116
"173356"	637.136518	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+2Na"	45.978436
"613037"	944.210168	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+2Na"	45.978436
"1126883"	330.062868	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2Na"	45.978436
"1408587"	220.377670666667	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H+2Na"	46.985712
"1440339"	661.160046	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H+HCOOH"	47.012746
"232585"	642.16954	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+3H2O+2H"	56.04448
"1520648"	675.21209	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+IsoProp+H"	61.06479
"416686"	645.123488	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+Na+K"	61.952376
"774400"	952.197138	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+Na+K"	61.952376
"1670732"	338.049838	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Na+K"	61.952376
"260532"	1292.310368	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+ACN+Na"	64.015768
"1237614"	678.163068	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+ACN+Na"	64.015768
"1723219"	678.186593	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+NH4+HCOOH"	64.039293
"1189304"	227.704984666667	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+3Na"	68.967654
"1663207"	683.141988	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Na+HCOOH"	68.994688
"165330"	1305.21364	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+2K-H"	76.91904
"605983"	1919.36094	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+2K-H"	76.91904
"1090498"	691.06634	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2K-H"	76.91904
"151689"	653.110458	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"2M+2K"	77.926316
"586874"	960.184108	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"3M+2K"	77.926316
"1073575"	346.036808	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2K"	77.926316
"1102775"	693.080892	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2K+H"	78.933592
"1336608"	693.168507	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+DMSO+H"	79.021207
"1007813"	697.207676	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2ACN+H"	83.060376
"1528739"	698.201308	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+IsoProp+Na+H"	84.054008
"989954"	349.107476	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+2ACN+2H"	84.067652
"1594066"	699.115928	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+K+HCOOH"	84.968628
"1424105"	729.147438	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+H+CF3COOH"	115.000138
"1159497"	369.620751	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+3ACN+2H"	125.094202
"1710507"	746.173985	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+NH4+CF3COOH"	132.026685
"1642876"	751.12938	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+Na+CF3COOH"	136.98208
"1580717"	767.10332	"C00128"	"CMP-N-acetylneuraminate;CMP-N-acetyl-beta-neuraminate"	"C20H31N4O16P"	"614.1473"	"M+K+CF3COOH"	152.95602
"801617"	246.0058	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M"	0
"984618"	226.98741	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H2O-H"	-19.01839
"65205"	162.996590666667	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-3H"	-3.021828
"503672"	244.998524	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-3H"	-3.021828
"880619"	80.9946573333333	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-3H"	-3.021828
"894"	244.998524	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H"	-2.014552
"442887"	368.001424	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H"	-2.014552
"817890"	121.995624	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H"	-2.014552
"79463"	491.004324	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-H"	-1.007276
"519144"	737.010124	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-H"	-1.007276
"896212"	244.998524	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H"	-1.007276
"51327"	508.030871	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H+NH4"	16.019271
"493076"	754.036671	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H+NH4"	16.019271
"867597"	262.025071	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H+NH4"	16.019271
"39874"	512.986266	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H+Na"	20.974666
"478342"	758.992066	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H+Na"	20.974666
"856144"	266.980466	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H+Na"	20.974666
"1627865"	266.980466	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na-2H"	20.974666
"103301"	262.986863	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-H+Cl"	33.962126
"539580"	385.989763	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-H+Cl"	33.962126
"927622"	139.983963	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+Cl"	33.962126
"267634"	526.981002	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Cl"	34.969402
"661022"	772.986802	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+Cl"	34.969402
"1273550"	280.975202	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl"	34.969402
"16713"	528.960206	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H+K"	36.948606
"456883"	774.966006	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H+K"	36.948606
"835660"	282.954406	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H+K"	36.948606
"1556597"	282.954406	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K-2H"	36.948606
"944122"	291.003994	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+HCOOH"	44.998194
"365618"	537.009801	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+HCOOH-H"	44.998201
"347676"	551.025451	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Hac-H"	59.013851
"1494077"	305.019651	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Hac-H"	59.013851
"960411"	312.985951	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+NaCOOH"	66.980151
"122818"	280.975202	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2Cl"	69.938804
"558005"	403.978102	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2Cl"	69.938804
"1028989"	157.972302	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2Cl"	69.938804
"1248567"	324.924685	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Br"	78.918885
"1313202"	326.980672	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl+HCOOH"	80.974872
"1329606"	348.962629	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl+NaCOOH"	102.956829
"917383"	358.991386	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+CF3COOH"	112.985586
"1296278"	394.968064	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl+CF3COOH"	148.962264
"1373346"	210.993124	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H-2H2O"	-35.012676
"1388657"	229.0031	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H-H2O"	-17.0027
"291625"	493.018876	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H"	1.007276
"686236"	739.024676	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H"	1.007276
"1354933"	247.013076	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H"	1.007276
"135474"	247.013076	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2H"	2.014552
"570661"	370.015976	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2H"	2.014552
"1044927"	124.010176	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2H"	2.014552
"216110"	165.011142666667	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+3H"	3.021828
"656764"	247.013076	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+3H"	3.021828
"1167236"	83.0092093333333	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+3H"	3.021828
"430507"	510.045423	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+NH4"	18.033823
"793690"	756.051223	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+NH4"	18.033823
"1686738"	264.039623	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+NH4"	18.033823
"332833"	255.5263495	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H+NH4"	19.041099
"723795"	378.5292495	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H+NH4"	19.041099
"1479437"	132.5234495	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+NH4"	19.041099
"393742"	515.000818	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Na"	22.989218
"756193"	761.006618	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+Na"	22.989218
"1606840"	268.995018	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na"	22.989218
"315790"	258.004047	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H+Na"	23.996494
"708573"	381.006947	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H+Na"	23.996494
"1463123"	135.001147	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+Na"	23.996494
"1056366"	90.3365233333333	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2H+Na"	25.00377
"1259142"	279.039286	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+CH3OH+H"	33.033486
"385373"	530.974758	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+K"	38.963158
"745276"	776.980558	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+K"	38.963158
"1544050"	284.968958	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K"	38.963158
"306694"	265.991017	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H+K"	39.970434
"700210"	388.993917	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H+K"	39.970434
"1451845"	142.988117	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+K"	39.970434
"245912"	534.045426	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+ACN+H"	42.033826
"1220809"	288.039626	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+ACN+H"	42.033826
"1198133"	144.523451	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+ACN+2H"	43.041102
"194283"	536.98276	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2Na-H"	44.97116
"634934"	782.98856	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2Na-H"	44.97116
"1136251"	290.97696	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2Na-H"	44.97116
"176262"	268.995018	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2Na"	45.978436
"615092"	391.997918	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2Na"	45.978436
"1125900"	145.992118	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2Na"	45.978436
"1407238"	97.6638373333333	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+2Na"	46.985712
"1441177"	293.018546	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+HCOOH"	47.012746
"229050"	274.02804	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+3H2O+2H"	56.04448
"1519299"	307.07059	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+IsoProp+H"	61.06479
"415703"	276.981988	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Na+K"	61.952376
"773417"	399.984888	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+Na+K"	61.952376
"1668655"	153.979088	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na+K"	61.952376
"260642"	556.027368	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+ACN+Na"	64.015768
"1232257"	310.021568	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+ACN+Na"	64.015768
"1720049"	310.045093	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+NH4+HCOOH"	64.039293
"1185405"	104.991151333333	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+3Na"	68.967654
"1665225"	315.000488	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na+HCOOH"	68.994688
"168720"	568.93064	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2K-H"	76.91904
"611075"	814.93644	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2K-H"	76.91904
"1093888"	322.92484	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2K-H"	76.91904
"151799"	284.968958	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2K"	77.926316
"586984"	407.971858	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2K"	77.926316
"1072590"	161.966058	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2K"	77.926316
"1103615"	324.939392	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2K+H"	78.933592
"1338540"	325.027007	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+DMSO+H"	79.021207
"1007798"	329.066176	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2ACN+H"	83.060376
"1527755"	330.059808	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+IsoProp+Na+H"	84.054008
"990426"	165.036726	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2ACN+2H"	84.067652
"1593083"	330.974428	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K+HCOOH"	84.968628
"1422029"	361.005938	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+CF3COOH"	115.000138
"1160701"	185.550001	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+3ACN+2H"	125.094202
"1710253"	378.032485	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+NH4+CF3COOH"	132.026685
"1644079"	382.98788	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na+CF3COOH"	136.98208
"1580827"	398.96182	"C00129"	"Isopentenyl diphosphate;delta3-Isopentenyl diphosphate;delta3-Methyl-3-butenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K+CF3COOH"	152.95602
"802076"	348.0471	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M"	0
"980353"	329.02871	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-H2O-H"	-19.01839
"67502"	231.024124	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M-3H"	-3.021828
"503782"	347.039824	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M-3H"	-3.021828
"880970"	115.008424	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-3H"	-3.021828
"1611"	347.039824	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M-2H"	-2.014552
"441904"	521.063374	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M-2H"	-2.014552
"817881"	173.016274	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-2H"	-2.014552
"79453"	695.086924	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M-H"	-1.007276
"518930"	1043.134024	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M-H"	-1.007276
"897420"	347.039824	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-H"	-1.007276
"54719"	712.113471	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M-2H+NH4"	16.019271
"497926"	1060.160571	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M-2H+NH4"	16.019271
"874269"	364.066371	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-2H+NH4"	16.019271
"39984"	717.068866	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M-2H+Na"	20.974666
"478452"	1065.115966	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M-2H+Na"	20.974666
"857347"	369.021766	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-2H+Na"	20.974666
"1629799"	369.021766	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Na-2H"	20.974666
"102318"	365.028163	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M-H+Cl"	33.962126
"542972"	539.051713	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M-H+Cl"	33.962126
"932112"	191.004613	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-H+Cl"	33.962126
"268602"	731.063602	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+Cl"	34.969402
"664912"	1079.110702	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+Cl"	34.969402
"1273182"	383.016502	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Cl"	34.969402
"16098"	733.042806	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M-2H+K"	36.948606
"456392"	1081.089906	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M-2H+K"	36.948606
"836866"	384.995706	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-2H+K"	36.948606
"1559990"	384.995706	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+K-2H"	36.948606
"946413"	393.045294	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-H+HCOOH"	44.998194
"365364"	741.092401	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+HCOOH-H"	44.998201
"348518"	755.108051	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+Hac-H"	59.013851
"1496627"	407.060951	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Hac-H"	59.013851
"960523"	415.027251	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-H+NaCOOH"	66.980151
"119644"	383.016502	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+2Cl"	69.938804
"564802"	557.040052	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+2Cl"	69.938804
"1034570"	208.992952	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2Cl"	69.938804
"1253053"	426.965985	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Br"	78.918885
"1307848"	429.021972	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Cl+HCOOH"	80.974872
"1327531"	451.003929	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Cl+NaCOOH"	102.956829
"924055"	461.032686	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M-H+CF3COOH"	112.985586
"1299670"	497.009364	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Cl+CF3COOH"	148.962264
"1374551"	313.034424	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H-2H2O"	-35.012676
"1392048"	331.0444	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H-H2O"	-17.0027
"292828"	697.101476	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+H"	1.007276
"684160"	1045.148576	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+H"	1.007276
"1356137"	349.054376	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H"	1.007276
"133397"	349.054376	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+2H"	2.014552
"570041"	523.077926	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+2H"	2.014552
"1041393"	175.030826	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2H"	2.014552
"215857"	233.038676	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+3H"	3.021828
"654688"	349.054376	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+3H"	3.021828
"1167346"	117.022976	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+3H"	3.021828
"426971"	714.128023	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+NH4"	18.033823
"789790"	1062.175123	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+NH4"	18.033823
"1689035"	366.080923	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+NH4"	18.033823
"333305"	357.5676495	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+H+NH4"	19.041099
"722967"	531.5911995	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+H+NH4"	19.041099
"1480637"	183.5440995	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H+NH4"	19.041099
"396402"	719.083418	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+Na"	22.989218
"759219"	1067.130518	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+Na"	22.989218
"1606222"	371.036318	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Na"	22.989218
"317720"	360.045347	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+H+Na"	23.996494
"710507"	534.068897	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+H+Na"	23.996494
"1466512"	186.021797	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H+Na"	23.996494
"1060849"	124.35029	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2H+Na"	25.00377
"1259978"	381.080586	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+CH3OH+H"	33.033486
"378556"	735.057358	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+K"	38.963158
"739917"	1083.104458	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+K"	38.963158
"1545252"	387.010258	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+K"	38.963158
"307897"	368.032317	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+H+K"	39.970434
"698133"	542.055867	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+H+K"	39.970434
"1454142"	194.008767	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H+K"	39.970434
"244929"	738.128026	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+ACN+H"	42.033826
"1221648"	390.080926	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+ACN+H"	42.033826
"1205529"	195.544101	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+ACN+2H"	43.041102
"193302"	741.06536	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+2Na-H"	44.97116
"636138"	1089.11246	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+2Na-H"	44.97116
"1137458"	393.01826	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2Na-H"	44.97116
"176373"	371.036318	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+2Na"	45.978436
"615932"	545.059868	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+2Na"	45.978436
"1124917"	197.012768	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2Na"	45.978436
"1410267"	131.677604	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H+2Na"	46.985712
"1444570"	395.059846	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H+HCOOH"	47.012746
"232080"	376.06934	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+3H2O+2H"	56.04448
"1518319"	409.11189	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+IsoProp+H"	61.06479
"416907"	379.023288	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+Na+K"	61.952376
"775715"	553.046838	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+Na+K"	61.952376
"1674233"	204.999738	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Na+K"	61.952376
"264033"	760.109968	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+ACN+Na"	64.015768
"1236743"	412.062868	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+ACN+Na"	64.015768
"1728101"	412.086393	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+NH4+HCOOH"	64.039293
"1189889"	139.004918	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+3Na"	68.967654
"1664886"	417.041788	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Na+HCOOH"	68.994688
"166646"	773.01324	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+2K-H"	76.91904
"607297"	1121.06034	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+2K-H"	76.91904
"1099591"	424.96614	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2K-H"	76.91904
"155189"	387.010258	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"2M+2K"	77.926316
"595722"	561.033808	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"3M+2K"	77.926316
"1077074"	212.986708	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2K"	77.926316
"1109193"	426.980692	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2K+H"	78.933592
"1338045"	427.068307	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+DMSO+H"	79.021207
"1009733"	431.107476	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2ACN+H"	83.060376
"1525920"	432.101108	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+IsoProp+Na+H"	84.054008
"990419"	216.057376	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+2ACN+2H"	84.067652
"1589913"	433.015728	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+K+HCOOH"	84.968628
"1422139"	463.047238	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+H+CF3COOH"	115.000138
"1160810"	236.570651	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+3ACN+2H"	125.094202
"1707445"	480.073785	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+NH4+CF3COOH"	132.026685
"1639815"	485.02918	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+Na+CF3COOH"	136.98208
"1580937"	501.00312	"C00130"	"IMP;Inosinic acid;Inosine monophosphate;Inosine 5-monophosphate;Inosine 5-phosphate;5-Inosinate;5-Inosinic acid;5-Inosine monophosphate;5-IMP"	"C10H13N4O8P"	"348.0471"	"M+K+CF3COOH"	152.95602
"809113"	491.0008	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M"	0
"979369"	471.98241	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-H2O-H"	-19.01839
"68705"	326.326590666667	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M-3H"	-3.021828
"509357"	489.993524	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M-3H"	-3.021828
"889347"	162.659657333333	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-3H"	-3.021828
"3546"	489.993524	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M-2H"	-2.014552
"443469"	735.493924	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M-2H"	-2.014552
"817303"	244.493124	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-2H"	-2.014552
"79443"	980.994324	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M-H"	-1.007276
"518996"	1471.995124	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M-H"	-1.007276
"897531"	489.993524	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-H"	-1.007276
"53734"	998.020871	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M-2H+NH4"	16.019271
"498037"	1489.021671	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M-2H+NH4"	16.019271
"866724"	507.020071	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-2H+NH4"	16.019271
"40095"	1002.976266	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M-2H+Na"	20.974666
"478562"	1493.977066	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M-2H+Na"	20.974666
"856366"	511.975466	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-2H+Na"	20.974666
"1622617"	511.975466	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Na-2H"	20.974666
"99146"	507.981863	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M-H+Cl"	33.962126
"539800"	753.482263	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M-H+Cl"	33.962126
"932222"	262.481463	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-H+Cl"	33.962126
"270412"	1016.971002	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+Cl"	34.969402
"660071"	1507.971802	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+Cl"	34.969402
"1277789"	525.970202	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Cl"	34.969402
"21072"	1018.950206	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M-2H+K"	36.948606
"460998"	1509.951006	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M-2H+K"	36.948606
"838434"	527.949406	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-2H+K"	36.948606
"1558278"	527.949406	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+K-2H"	36.948606
"943974"	535.998994	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-H+HCOOH"	44.998194
"369487"	1026.999801	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+HCOOH-H"	44.998201
"352277"	1041.015451	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+Hac-H"	59.013851
"1501110"	550.014651	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Hac-H"	59.013851
"963186"	557.980951	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-H+NaCOOH"	66.980151
"123039"	525.970202	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+2Cl"	69.938804
"562599"	771.470602	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+2Cl"	69.938804
"1035408"	280.469802	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2Cl"	69.938804
"1256854"	569.919685	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Br"	78.918885
"1316706"	571.975672	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Cl+HCOOH"	80.974872
"1332744"	593.957629	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Cl+NaCOOH"	102.956829
"923072"	603.986386	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M-H+CF3COOH"	112.985586
"1299780"	639.963064	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Cl+CF3COOH"	148.962264
"1376848"	455.988124	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H-2H2O"	-35.012676
"1388878"	473.9981	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H-H2O"	-17.0027
"292942"	983.008876	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+H"	1.007276
"690104"	1474.009676	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+H"	1.007276
"1360619"	492.008076	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H"	1.007276
"137880"	492.008076	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+2H"	2.014552
"577442"	737.508476	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+2H"	2.014552
"1048429"	246.507676	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2H"	2.014552
"219614"	328.341142666667	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+3H"	3.021828
"659932"	492.008076	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+3H"	3.021828
"1175111"	164.674209333333	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+3H"	3.021828
"427082"	1000.035423	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+NH4"	18.033823
"795003"	1491.036223	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+NH4"	18.033823
"1689147"	509.034623	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+NH4"	18.033823
"337425"	500.5213495	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+H+NH4"	19.041099
"728023"	746.0217495	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+H+NH4"	19.041099
"1483665"	255.0209495	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H+NH4"	19.041099
"399066"	1004.990818	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+Na"	22.989218
"762246"	1495.991618	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+Na"	22.989218
"1610344"	513.990018	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Na"	22.989218
"318196"	502.999047	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+H+Na"	23.996494
"717177"	748.499447	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+H+Na"	23.996494
"1470999"	257.498647	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H+Na"	23.996494
"1063149"	172.001523333333	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2H+Na"	25.00377
"1265923"	524.034286	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+CH3OH+H"	33.033486
"385592"	1020.964758	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+K"	38.963158
"745495"	1511.965558	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+K"	38.963158
"1548643"	529.963958	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+K"	38.963158
"305821"	510.986017	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+H+K"	39.970434
"699335"	756.486417	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+H+K"	39.970434
"1455343"	265.485617	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H+K"	39.970434
"245039"	1024.035426	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+ACN+H"	42.033826
"1222121"	533.034626	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+ACN+H"	42.033826
"1206008"	267.020951	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+ACN+2H"	43.041102
"197421"	1026.97276	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+2Na-H"	44.97116
"637345"	1517.97356	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+2Na-H"	44.97116
"1143401"	535.97196	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2Na-H"	44.97116
"181950"	513.990018	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+2Na"	45.978436
"623699"	759.490418	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+2Na"	45.978436
"1127215"	268.489618	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2Na"	45.978436
"1405271"	179.328837333333	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H+2Na"	46.985712
"1443584"	538.013546	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H+HCOOH"	47.012746
"232918"	519.02304	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+3H2O+2H"	56.04448
"1517331"	552.06559	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+IsoProp+H"	61.06479
"419204"	521.976988	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+Na+K"	61.952376
"776918"	767.477388	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+Na+K"	61.952376
"1673249"	276.476588	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Na+K"	61.952376
"257583"	1046.017368	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+ACN+Na"	64.015768
"1236853"	555.016568	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+ACN+Na"	64.015768
"1727927"	555.040093	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+NH4+HCOOH"	64.039293
"1190729"	186.656151333333	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+3Na"	68.967654
"1665413"	559.995488	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Na+HCOOH"	68.994688
"171493"	1058.92064	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+2K-H"	76.91904
"607409"	1549.92144	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+2K-H"	76.91904
"1095202"	567.91984	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2K-H"	76.91904
"154205"	529.963958	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"2M+2K"	77.926316
"592670"	775.464358	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"3M+2K"	77.926316
"1075001"	284.463558	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2K"	77.926316
"1112583"	569.934392	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2K+H"	78.933592
"1343502"	570.022007	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+DMSO+H"	79.021207
"1007050"	574.061176	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2ACN+H"	83.060376
"1524569"	575.054808	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+IsoProp+Na+H"	84.054008
"997707"	287.534226	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+2ACN+2H"	84.067652
"1598776"	575.969428	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+K+HCOOH"	84.968628
"1425529"	606.000938	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+H+CF3COOH"	115.000138
"1159827"	308.047501	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+3ACN+2H"	125.094202
"1704274"	623.027485	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+NH4+CF3COOH"	132.026685
"1641019"	627.98288	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+Na+CF3COOH"	136.98208
"1581045"	643.95682	"C00131"	"dATP;2-Deoxyadenosine 5-triphosphate;Deoxyadenosine 5-triphosphate;Deoxyadenosine triphosphate"	"C10H16N5O12P3"	"491.0008"	"M+K+CF3COOH"	152.95602
"801706"	32.0262	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M"	0
"975104"	13.00781	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-H2O-H"	-19.01839
"65535"	20.343524	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M-3H"	-3.021828
"505095"	31.018924	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M-3H"	-3.021828
"888364"	9.668124	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-3H"	-3.021828
"146"	31.018924	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M-2H"	-2.014552
"441030"	47.032024	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M-2H"	-2.014552
"817095"	15.005824	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-2H"	-2.014552
"78820"	63.045124	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M-H"	-1.007276
"518547"	95.071324	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M-H"	-1.007276
"895663"	31.018924	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-H"	-1.007276
"52751"	80.071671	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M-2H+NH4"	16.019271
"491221"	112.097871	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M-2H+NH4"	16.019271
"866833"	48.045471	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-2H+NH4"	16.019271
"35829"	85.027066	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M-2H+Na"	20.974666
"478672"	117.053266	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M-2H+Na"	20.974666
"856476"	53.000866	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-2H+Na"	20.974666
"1623822"	53.000866	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Na-2H"	20.974666
"105818"	49.007263	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M-H+Cl"	33.962126
"541005"	65.020363	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M-H+Cl"	33.962126
"931239"	32.994163	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-H+Cl"	33.962126
"269064"	99.021802	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+Cl"	34.969402
"661850"	131.048002	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+Cl"	34.969402
"1277170"	66.995602	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Cl"	34.969402
"15912"	101.001006	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M-2H+K"	36.948606
"462201"	133.027206	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M-2H+K"	36.948606
"837452"	68.974806	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-2H+K"	36.948606
"1556201"	68.974806	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+K-2H"	36.948606
"943106"	77.024394	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-H+HCOOH"	44.998194
"372877"	109.050601	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+HCOOH-H"	44.998201
"352386"	123.066251	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+Hac-H"	59.013851
"1505235"	91.040051	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Hac-H"	59.013851
"966584"	99.006351	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-H+NaCOOH"	66.980151
"121694"	66.995602	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+2Cl"	69.938804
"562710"	83.008702	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+2Cl"	69.938804
"1034789"	50.982502	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2Cl"	69.938804
"1256434"	110.945085	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Br"	78.918885
"1319247"	113.001072	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Cl+HCOOH"	80.974872
"1332855"	134.983029	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Cl+NaCOOH"	102.956829
"922089"	145.011786	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M-H+CF3COOH"	112.985586
"1299891"	180.988464	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Cl+CF3COOH"	148.962264
"1378051"	-2.986476	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H-2H2O"	-35.012676
"1391175"	15.0235	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H-H2O"	-17.0027
"295240"	65.059676	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+H"	1.007276
"683287"	97.085876	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+H"	1.007276
"1358543"	33.033476	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H"	1.007276
"135806"	33.033476	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+2H"	2.014552
"568076"	49.046576	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+2H"	2.014552
"1044166"	17.020376	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2H"	2.014552
"218264"	22.358076	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+3H"	3.021828
"658554"	33.033476	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+3H"	3.021828
"1173032"	11.682676	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+3H"	3.021828
"434118"	82.086223	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+NH4"	18.033823
"794019"	114.112423	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+NH4"	18.033823
"1684883"	50.060023	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+NH4"	18.033823
"335347"	41.5467495	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+H+NH4"	19.041099
"724850"	57.5598495	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+H+NH4"	19.041099
"1480497"	25.5336495	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H+NH4"	19.041099
"398082"	87.041618	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+Na"	22.989218
"756891"	119.067818	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+Na"	22.989218
"1605351"	55.015418	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Na"	22.989218
"319402"	44.024447	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+H+Na"	23.996494
"711821"	60.037547	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+H+Na"	23.996494
"1466733"	28.011347	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H+Na"	23.996494
"1061074"	19.00999	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2H+Na"	25.00377
"1262754"	65.059686	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+CH3OH+H"	33.033486
"382424"	103.015558	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+K"	38.963158
"749980"	135.041758	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+K"	38.963158
"1547661"	70.989358	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+K"	38.963158
"307024"	52.011417	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+H+K"	39.970434
"695073"	68.024517	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+H+K"	39.970434
"1456545"	35.998317	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H+K"	39.970434
"245149"	106.086226	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+ACN+H"	42.033826
"1218953"	74.060026	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+ACN+H"	42.033826
"1202471"	37.533651	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+ACN+2H"	43.041102
"197893"	109.02356	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+2Na-H"	44.97116
"637455"	141.04976	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+2Na-H"	44.97116
"1143146"	76.99736	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2Na-H"	44.97116
"179873"	55.015418	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+2Na"	45.978436
"626007"	71.028518	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+2Na"	45.978436
"1131330"	39.002318	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2Na"	45.978436
"1410485"	26.337304	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H+2Na"	46.985712
"1441508"	79.038946	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H+HCOOH"	47.012746
"233757"	60.04844	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+3H2O+2H"	56.04448
"1520725"	93.09099	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+IsoProp+H"	61.06479
"420409"	63.002388	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+Na+K"	61.952376
"775936"	79.015488	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+Na+K"	61.952376
"1672266"	46.989288	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Na+K"	61.952376
"256603"	128.068168	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+ACN+Na"	64.015768
"1232589"	96.041968	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+ACN+Na"	64.015768
"1724757"	96.065493	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+NH4+HCOOH"	64.039293
"1187925"	33.664618	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+3Na"	68.967654
"1665505"	101.020888	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Na+HCOOH"	68.994688
"170145"	140.97144	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+2K-H"	76.91904
"608614"	172.99764	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+2K-H"	76.91904
"1098351"	108.94524	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2K-H"	76.91904
"152128"	70.989358	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"2M+2K"	77.926316
"593874"	87.002458	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"3M+2K"	77.926316
"1076203"	54.976258	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2K"	77.926316
"1105038"	110.959792	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2K+H"	78.933592
"1341426"	111.047407	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+DMSO+H"	79.021207
"1012144"	115.086576	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2ACN+H"	83.060376
"1525288"	116.080208	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+IsoProp+Na+H"	84.054008
"991007"	58.046926	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+2ACN+2H"	84.067652
"1599981"	116.994828	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+K+HCOOH"	84.968628
"1425640"	147.026338	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+H+CF3COOH"	115.000138
"1160301"	78.560201	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+3ACN+2H"	125.094202
"1709852"	164.052885	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+NH4+CF3COOH"	132.026685
"1641129"	169.00828	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+Na+CF3COOH"	136.98208
"1581157"	184.98222	"C00132"	"Methanol;Methyl alcohol;CH3OH"	"CH4O"	"32.0262"	"M+K+CF3COOH"	152.95602
"802772"	89.0477	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M"	0
"974847"	70.02931	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"65643"	58.3578573333333	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"505933"	88.040424	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"881182"	28.6752906666667	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"647"	88.040424	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"444419"	132.564274	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"817725"	43.516574	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"80027"	177.088124	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"519463"	266.135824	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"896291"	88.040424	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"49582"	194.114671	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"491331"	283.162371	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"865850"	105.066971	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"38127"	199.070066	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"478782"	288.117766	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"854034"	110.022366	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1623932"	110.022366	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"108115"	106.028763	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"539291"	150.552613	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"932077"	61.504913	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"273184"	213.064802	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"664512"	302.112502	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1282019"	124.017102	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"22752"	215.044006	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"464501"	304.091706	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"842302"	125.996306	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1566883"	125.996306	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"948569"	134.045894	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"373720"	223.093601	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"353227"	237.109251	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1501336"	148.061551	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"969246"	156.027851	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"122533"	124.017102	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"561727"	168.540952	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1033806"	79.493252	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1254479"	167.966585	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1318992"	170.022572	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1333329"	192.004529	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"925237"	202.033286	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1300001"	238.009964	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1378161"	54.035024	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1390192"	72.045	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"289883"	179.102676	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"684490"	268.150376	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1357558"	90.054976	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"129354"	90.054976	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"571102"	134.578826	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1041360"	45.531126	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"216916"	60.3724093333333	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"649915"	90.054976	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1173144"	30.6898426666667	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"434228"	196.129223	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"795224"	285.176923	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1684626"	107.081523	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"338738"	98.5682495	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"724597"	143.0920995	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1480972"	54.0443995	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"395276"	201.084618	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"756272"	290.132318	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1605462"	112.036918	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"318419"	101.045947	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"710839"	145.569797	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1466848"	56.522097	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1054625"	38.0171566666667	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1261771"	122.081186	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"383629"	217.058558	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"750457"	306.106258	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1552145"	128.010858	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"306043"	109.032917	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"701745"	153.556767	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1454469"	64.509067	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"245259"	220.129226	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1220157"	131.081526	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1207688"	66.044401	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
"199098"	223.06656	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+2Na-H"	44.97116
"638658"	312.11426	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+2Na-H"	44.97116
"1143258"	134.01886	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"182170"	112.036918	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"625022"	156.560768	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1130601"	67.513068	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1413146"	45.3444706666667	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1443805"	136.060446	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"232407"	117.06994	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1519739"	150.11249	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"419425"	120.023888	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"781514"	164.547738	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1676754"	75.500038	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"261087"	242.111168	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1238901"	153.063468	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1723776"	153.086993	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1191320"	52.6717846666667	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1662669"	158.042388	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"169896"	255.01444	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"610914"	344.06214	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1097616"	165.96674	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"154432"	128.010858	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"596299"	172.534708	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1081054"	83.487008	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1113775"	167.981292	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1345909"	168.068907	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1016626"	172.108076	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1527099"	173.101708	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"994637"	86.557676	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1588531"	174.016328	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1418089"	204.047838	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1149105"	107.070951	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1709598"	221.074385	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1641239"	226.02978	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1581267"	242.00372	"C00133"	"D-Alanine;D-2-Aminopropionic acid;D-Ala"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"810541"	88.1	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M"	0
"979699"	69.08161	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-H2O-H"	-19.01839
"66847"	57.7260573333333	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M-3H"	-3.021828
"505679"	87.092724	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M-3H"	-3.021828
"885303"	28.3593906666667	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-3H"	-3.021828
"4971"	87.092724	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M-2H"	-2.014552
"443439"	131.142724	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M-2H"	-2.014552
"821241"	43.042724	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-2H"	-2.014552
"83419"	175.192724	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M-H"	-1.007276
"519209"	263.292724	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M-H"	-1.007276
"896893"	87.092724	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-H"	-1.007276
"55160"	192.219271	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M-2H+NH4"	16.019271
"492534"	280.319271	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M-2H+NH4"	16.019271
"876897"	104.119271	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-2H+NH4"	16.019271
"38238"	197.174666	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M-2H+Na"	20.974666
"478892"	285.274666	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M-2H+Na"	20.974666
"863626"	109.074666	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-2H+Na"	20.974666
"1627322"	109.074666	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Na-2H"	20.974666
"108593"	105.081063	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M-H+Cl"	33.962126
"546693"	149.131063	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M-H+Cl"	33.962126
"936927"	61.031063	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-H+Cl"	33.962126
"273295"	211.169402	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+Cl"	34.969402
"666808"	299.269402	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+Cl"	34.969402
"1280307"	123.069402	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Cl"	34.969402
"22864"	213.148606	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M-2H+K"	36.948606
"466798"	301.248606	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M-2H+K"	36.948606
"842412"	125.048606	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-2H+K"	36.948606
"1564807"	125.048606	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+K-2H"	36.948606
"955249"	133.098194	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-H+HCOOH"	44.998194
"368726"	221.198201	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+HCOOH-H"	44.998201
"355893"	235.213851	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+Hac-H"	59.013851
"1500359"	147.113851	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Hac-H"	59.013851
"966810"	155.080151	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-H+NaCOOH"	66.980151
"120093"	123.069402	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+2Cl"	69.938804
"560749"	167.119402	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+2Cl"	69.938804
"1028454"	79.019402	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2Cl"	69.938804
"1250218"	167.018885	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Br"	78.918885
"1316671"	169.074872	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Cl+HCOOH"	80.974872
"1333075"	191.056829	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Cl+NaCOOH"	102.956829
"926322"	201.085586	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M-H+CF3COOH"	112.985586
"1302302"	237.062264	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Cl+CF3COOH"	148.962264
"1378273"	53.087324	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H-2H2O"	-35.012676
"1389213"	71.0973	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H-H2O"	-17.0027
"286713"	177.207276	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+H"	1.007276
"682414"	265.307276	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+H"	1.007276
"1355482"	89.107276	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H"	1.007276
"127398"	89.107276	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+2H"	2.014552
"568660"	133.157276	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+2H"	2.014552
"1041105"	45.057276	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2H"	2.014552
"216662"	59.7406093333333	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+3H"	3.021828
"654033"	89.107276	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+3H"	3.021828
"1167783"	30.3739426666667	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+3H"	3.021828
"432151"	194.233823	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+NH4"	18.033823
"789866"	282.333823	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+NH4"	18.033823
"1683034"	106.133823	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+NH4"	18.033823
"335568"	97.6205495	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+H+NH4"	19.041099
"727988"	141.6705495	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+H+NH4"	19.041099
"1480712"	53.5705495	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H+NH4"	19.041099
"396117"	199.189218	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+Na"	22.989218
"759297"	287.289218	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+Na"	22.989218
"1607031"	111.089218	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Na"	22.989218
"319619"	100.098247	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+H+Na"	23.996494
"713138"	144.148247	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+H+Na"	23.996494
"1469144"	56.048247	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H+Na"	23.996494
"1062389"	37.7012566666667	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2H+Na"	25.00377
"1266255"	121.133486	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+CH3OH+H"	33.033486
"385925"	215.163158	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+K"	38.963158
"751660"	303.263158	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+K"	38.963158
"1550070"	127.063158	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+K"	38.963158
"306151"	108.085217	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+H+K"	39.970434
"701852"	152.135217	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+H+K"	39.970434
"1454581"	64.035217	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H+K"	39.970434
"247556"	218.233826	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+ACN+H"	42.033826
"1220267"	130.133826	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+ACN+H"	42.033826
"1208892"	65.570551	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+ACN+2H"	43.041102
"201032"	221.17116	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+2Na-H"	44.97116
"641323"	309.27116	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+2Na-H"	44.97116
"1142272"	133.07116	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2Na-H"	44.97116
"176094"	111.089218	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+2Na"	45.978436
"627198"	155.139218	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+2Na"	45.978436
"1130711"	67.039218	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2Na"	45.978436
"1413134"	45.0285706666667	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H+2Na"	46.985712
"1443915"	135.112746	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H+HCOOH"	47.012746
"233972"	116.12224	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+3H2O+2H"	56.04448
"1523133"	149.16479	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+IsoProp+H"	61.06479
"423187"	119.076188	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+Na+K"	61.952376
"784788"	163.126188	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+Na+K"	61.952376
"1679421"	75.026188	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Na+K"	61.952376
"266304"	240.215768	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+ACN+Na"	64.015768
"1236823"	152.115768	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+ACN+Na"	64.015768
"1725712"	152.139293	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+NH4+HCOOH"	64.039293
"1190336"	52.3558846666667	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+3Na"	68.967654
"1663756"	157.094688	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Na+HCOOH"	68.994688
"171469"	253.11904	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+2K-H"	76.91904
"612478"	341.21904	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+2K-H"	76.91904
"1096627"	165.01904	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2K-H"	76.91904
"156363"	127.063158	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"2M+2K"	77.926316
"593006"	171.113158	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"3M+2K"	77.926316
"1077517"	83.013158	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2K"	77.926316
"1109635"	167.033592	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2K+H"	78.933592
"1339459"	167.121207	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+DMSO+H"	79.021207
"1009082"	171.160376	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2ACN+H"	83.060376
"1525263"	172.154008	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+IsoProp+Na+H"	84.054008
"990861"	86.083826	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+2ACN+2H"	84.067652
"1588282"	173.068628	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+K+HCOOH"	84.968628
"1414468"	203.100138	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+H+CF3COOH"	115.000138
"1147757"	106.597101	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+3ACN+2H"	125.094202
"1701324"	220.126685	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+NH4+CF3COOH"	132.026685
"1642444"	225.08208	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+Na+CF3COOH"	136.98208
"1581377"	241.05602	"C00134"	"Putrescine;14-Butanediamine;14-Diaminobutane;Tetramethylenediamine;Butane-14-diamine"	"C4H12N2"	"88.1"	"M+K+CF3COOH"	152.95602
"805180"	155.0695	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M"	0
"981996"	136.05111	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H2O-H"	-19.01839
"71330"	102.372390666667	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-3H"	-3.021828
"511984"	154.062224	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-3H"	-3.021828
"883590"	50.6825573333333	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-3H"	-3.021828
"2893"	154.062224	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H"	-2.014552
"446829"	231.596974	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H"	-2.014552
"826818"	76.527474	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H"	-2.014552
"86811"	309.131724	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-H"	-1.007276
"525279"	464.201224	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-H"	-1.007276
"901987"	154.062224	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H"	-1.007276
"58550"	326.158271	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+NH4"	16.019271
"492644"	481.227771	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+NH4"	16.019271
"873727"	171.088771	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+NH4"	16.019271
"44909"	331.113666	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+Na"	20.974666
"485442"	486.183166	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+Na"	20.974666
"863005"	176.044166	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+Na"	20.974666
"1632900"	176.044166	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na-2H"	20.974666
"108336"	172.050563	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-H+Cl"	33.962126
"541334"	249.585313	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-H+Cl"	33.962126
"937037"	94.515813	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+Cl"	33.962126
"275592"	345.108402	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Cl"	34.969402
"669107"	500.177902	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Cl"	34.969402
"1279325"	190.038902	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl"	34.969402
"24069"	347.087606	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+K"	36.948606
"469094"	502.157106	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+K"	36.948606
"841429"	192.018106	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+K"	36.948606
"1568199"	192.018106	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K-2H"	36.948606
"956452"	200.067694	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+HCOOH"	44.998194
"369929"	355.137201	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+HCOOH-H"	44.998201
"360016"	369.152851	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Hac-H"	59.013851
"1505566"	214.083351	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Hac-H"	59.013851
"971285"	222.049651	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+NaCOOH"	66.980151
"124328"	190.038902	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Cl"	69.938804
"560851"	267.573652	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Cl"	69.938804
"1033665"	112.504152	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Cl"	69.938804
"1252514"	233.988385	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Br"	78.918885
"1316056"	236.044372	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+HCOOH"	80.974872
"1332459"	258.026329	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+NaCOOH"	102.956829
"926432"	268.055086	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+CF3COOH"	112.985586
"1302411"	304.031764	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+CF3COOH"	148.962264
"1380937"	120.056824	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H-2H2O"	-35.012676
"1391510"	138.0668	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H-H2O"	-17.0027
"290103"	311.146276	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H"	1.007276
"682524"	466.215776	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H"	1.007276
"1353770"	156.076776	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H"	1.007276
"129208"	156.076776	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2H"	2.014552
"568041"	233.611526	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2H"	2.014552
"1040121"	78.542026	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2H"	2.014552
"215677"	104.386942666667	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+3H"	3.021828
"653051"	156.076776	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+3H"	3.021828
"1168622"	52.6971093333333	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3H"	3.021828
"432261"	328.172823	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+NH4"	18.033823
"791796"	483.242323	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+NH4"	18.033823
"1686305"	173.103323	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4"	18.033823
"340781"	164.5900495	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+NH4"	19.041099
"730651"	242.1247995	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+NH4"	19.041099
"1483739"	87.0552995	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+NH4"	19.041099
"396953"	333.128218	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Na"	22.989218
"761593"	488.197718	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Na"	22.989218
"1612973"	178.058718	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na"	22.989218
"320822"	167.067747	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+Na"	23.996494
"714340"	244.602497	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+Na"	23.996494
"1467065"	89.532997	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+Na"	23.996494
"1059219"	60.0244233333333	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2H+Na"	25.00377
"1261992"	188.102986	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+CH3OH+H"	33.033486
"382754"	349.102158	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+K"	38.963158
"749219"	504.171658	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+K"	38.963158
"1551274"	194.032658	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K"	38.963158
"310636"	175.054717	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+K"	39.970434
"701962"	252.589467	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+K"	39.970434
"1457971"	97.519967	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+K"	39.970434
"250995"	352.172826	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+ACN+H"	42.033826
"1221470"	197.103326	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+H"	42.033826
"1209247"	99.055301	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+2H"	43.041102
"199318"	355.11016	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Na-H"	44.97116
"639609"	510.17966	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Na-H"	44.97116
"1143477"	200.04066	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Na-H"	44.97116
"182401"	178.058718	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Na"	45.978436
"626335"	255.593468	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Na"	45.978436
"1131105"	100.523968	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Na"	45.978436
"1406803"	67.3517373333333	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+2Na"	46.985712
"1441107"	202.082246	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+HCOOH"	47.012746
"224240"	183.09174	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+3H2O+2H"	56.04448
"1523607"	216.13429	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+IsoProp+H"	61.06479
"423543"	186.045688	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Na+K"	61.952376
"785141"	263.580438	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Na+K"	61.952376
"1680260"	108.510938	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+K"	61.952376
"264588"	374.154768	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+ACN+Na"	64.015768
"1240214"	219.085268	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+Na"	64.015768
"1727162"	219.108793	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4+HCOOH"	64.039293
"1192270"	74.6790513333333	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3Na"	68.967654
"1664597"	224.064188	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+HCOOH"	68.994688
"171211"	387.05804	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2K-H"	76.91904
"612185"	542.12754	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2K-H"	76.91904
"1098682"	231.98854	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K-H"	76.91904
"155619"	194.032658	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2K"	77.926316
"594210"	271.567408	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2K"	77.926316
"1082730"	116.497908	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K"	77.926316
"1113022"	234.003092	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K+H"	78.933592
"1341756"	234.090707	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+DMSO+H"	79.021207
"1008098"	238.129876	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2ACN+H"	83.060376
"1527317"	239.123508	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+IsoProp+Na+H"	84.054008
"992673"	119.568576	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2ACN+2H"	84.067652
"1588024"	240.038128	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K+HCOOH"	84.968628
"1415148"	270.069638	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+CF3COOH"	115.000138
"1147864"	140.081851	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3ACN+2H"	125.094202
"1701434"	287.096185	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4+CF3COOH"	132.026685
"1640367"	292.05158	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+CF3COOH"	136.98208
"1581487"	308.02552	"C00135"	"L-Histidine;(S)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K+CF3COOH"	152.95602
"802010"	837.1571	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M"	0
"975546"	818.13871	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H2O-H"	-19.01839
"64151"	557.097457333333	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-3H"	-3.021828
"506628"	836.149824	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-3H"	-3.021828
"883336"	278.045090666667	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-3H"	-3.021828
"8474"	836.149824	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H"	-2.014552
"445847"	1254.728374	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H"	-2.014552
"819275"	417.571274	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H"	-2.014552
"82183"	1673.306924	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-H"	-1.007276
"525389"	2510.464024	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-H"	-1.007276
"910242"	836.149824	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H"	-1.007276
"55382"	1690.333471	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H+NH4"	16.019271
"501870"	2527.490571	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H+NH4"	16.019271
"876634"	853.176371	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H+NH4"	16.019271
"44898"	1695.288866	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H+Na"	20.974666
"479115"	2532.445966	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H+Na"	20.974666
"863478"	858.131766	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H+Na"	20.974666
"1633983"	858.131766	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na-2H"	20.974666
"104071"	854.138163	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-H+Cl"	33.962126
"540352"	1272.716713	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-H+Cl"	33.962126
"937148"	435.559613	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+Cl"	33.962126
"273517"	1709.283602	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Cl"	34.969402
"668125"	2546.440702	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+Cl"	34.969402
"1282715"	872.126502	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl"	34.969402
"24177"	1711.262806	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H+K"	36.948606
"468111"	2548.419906	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H+K"	36.948606
"844821"	874.105706	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H+K"	36.948606
"1566126"	874.105706	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K-2H"	36.948606
"950728"	882.155294	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+HCOOH"	44.998194
"373683"	1719.312401	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+HCOOH-H"	44.998201
"351735"	1733.328051	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Hac-H"	59.013851
"1500575"	896.170951	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Hac-H"	59.013851
"970307"	904.137251	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+NaCOOH"	66.980151
"117030"	872.126502	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2Cl"	69.938804
"563154"	1290.705052	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2Cl"	69.938804
"1031952"	453.547952	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2Cl"	69.938804
"1251524"	916.075985	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Br"	78.918885
"1319079"	918.131972	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl+HCOOH"	80.974872
"1329284"	940.113929	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl+NaCOOH"	102.956829
"924352"	950.142686	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+CF3COOH"	112.985586
"1297052"	986.119364	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl+CF3COOH"	148.962264
"1370115"	802.144424	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H-2H2O"	-35.012676
"1386152"	820.1544	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H-H2O"	-17.0027
"286931"	1675.321476	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H"	1.007276
"680446"	2512.478576	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H"	1.007276
"1353880"	838.164376	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H"	1.007276
"132967"	838.164376	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2H"	2.014552
"578721"	1256.742926	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2H"	2.014552
"1050072"	419.585826	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2H"	2.014552
"215786"	559.112009333333	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+3H"	3.021828
"649513"	838.164376	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+3H"	3.021828
"1172377"	280.059642666667	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+3H"	3.021828
"428360"	1692.348023	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+NH4"	18.033823
"791174"	2529.505123	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+NH4"	18.033823
"1687871"	855.190923	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+NH4"	18.033823
"334325"	846.6776495	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H+NH4"	19.041099
"725290"	1265.2561995	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H+NH4"	19.041099
"1481297"	428.0990995	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+NH4"	19.041099
"396332"	1697.303418	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Na"	22.989218
"759151"	2534.460518	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+Na"	22.989218
"1607977"	860.146318	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na"	22.989218
"318015"	849.155347	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H+Na"	23.996494
"711168"	1267.733897	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H+Na"	23.996494
"1463530"	430.576797	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+Na"	23.996494
"1056050"	287.386956666667	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2H+Na"	25.00377
"1259916"	870.190586	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+CH3OH+H"	33.033486
"383961"	1713.277358	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+K"	38.963158
"742770"	2550.434458	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+K"	38.963158
"1555396"	876.120258	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K"	38.963158
"309652"	857.142317	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H+K"	39.970434
"700979"	1275.720867	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H+K"	39.970434
"1452614"	438.563767	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+K"	39.970434
"251397"	1716.348026	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+ACN+H"	42.033826
"1217207"	879.190926	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+ACN+H"	42.033826
"1199999"	440.099101	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+ACN+2H"	43.041102
"199066"	1719.28536	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2Na-H"	44.97116
"639715"	2556.44246	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2Na-H"	44.97116
"1136300"	882.12826	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2Na-H"	44.97116
"187616"	860.146318	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2Na"	45.978436
"627909"	1278.724868	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2Na"	45.978436
"1129831"	441.567768	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2Na"	45.978436
"1406915"	294.714270666667	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+2Na"	46.985712
"1435749"	884.169846	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+HCOOH"	47.012746
"229820"	865.17934	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+3H2O+2H"	56.04448
"1515695"	898.22189	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+IsoProp+H"	61.06479
"424145"	868.133288	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Na+K"	61.952376
"785007"	1286.711838	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+Na+K"	61.952376
"1680982"	449.554738	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na+K"	61.952376
"266037"	1738.329968	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+ACN+Na"	64.015768
"1240571"	901.172868	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+ACN+Na"	64.015768
"1727959"	901.196393	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+NH4+HCOOH"	64.039293
"1192379"	302.041584666667	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+3Na"	68.967654
"1664094"	906.151788	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na+HCOOH"	68.994688
"170952"	1751.23324	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2K-H"	76.91904
"610876"	2588.39034	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2K-H"	76.91904
"1096852"	914.07614	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2K-H"	76.91904
"156094"	876.120258	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2K"	77.926316
"592133"	1294.698808	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2K"	77.926316
"1081019"	457.541708	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2K"	77.926316
"1111315"	916.090692	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2K+H"	78.933592
"1337492"	916.178307	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+DMSO+H"	79.021207
"1007237"	920.217476	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2ACN+H"	83.060376
"1525362"	921.211108	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+IsoProp+Na+H"	84.054008
"990062"	460.612376	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2ACN+2H"	84.067652
"1593856"	922.125728	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K+HCOOH"	84.968628
"1419513"	952.157238	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+CF3COOH"	115.000138
"1149806"	481.125651	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+3ACN+2H"	125.094202
"1705921"	969.183785	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+NH4+CF3COOH"	132.026685
"1643760"	974.13918	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na+CF3COOH"	136.98208
"1581597"	990.11312	"C00136"	"Butanoyl-CoA;Butyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K+CF3COOH"	152.95602
"805400"	180.0634	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M"	0
"982217"	161.04501	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"69365"	119.034990666667	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"508925"	179.056124	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"886726"	59.0138573333333	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8584"	179.056124	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444864"	269.087824	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"821572"	89.024424	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"88127"	359.119524	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"528780"	539.182924	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"910352"	179.056124	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"60960"	376.146071	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"500400"	556.209471	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"873950"	196.082671	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"41850"	381.101466	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"479225"	561.164866	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"860307"	201.038066	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1631785"	201.038066	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"106368"	197.044463	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"547020"	287.076163	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"938347"	107.012763	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"277996"	395.096202	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"672605"	575.159602	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1282823"	215.032802	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"30362"	397.075406	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"464940"	577.138806	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"844928"	217.012006	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1561861"	217.012006	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"944276"	225.061594	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"369054"	405.125001	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351845"	419.140651	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1504691"	239.077251	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"972601"	247.043551	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"121508"	215.032802	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"563263"	305.064502	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1032061"	125.001102	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1250542"	258.982285	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1318824"	261.038272	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1329394"	283.020229	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"926285"	293.048986	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1298255"	329.025664	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1376421"	145.050724	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1386262"	163.0607	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"287042"	361.134076	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"680557"	541.197476	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1354720"	181.070676	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"131983"	181.070676	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"575915"	271.102376	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1050185"	91.038976	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"217356"	121.049542666667	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"654360"	181.070676	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1174675"	61.0284093333333	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"430294"	378.160623	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791286"	558.224023	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1684335"	198.097223	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"335530"	189.5839495	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"728316"	279.6156495	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1482864"	99.5522495	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"396806"	383.116018	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"759623"	563.179418	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1608087"	203.052618	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"318857"	192.061647	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"711279"	282.093347	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1464006"	102.029947	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1058345"	68.3557233333333	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1260027"	213.096886	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"381884"	399.089958	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"746160"	579.153358	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1548215"	219.026558	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"309762"	200.048617	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"701090"	290.080317	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1454912"	110.016917	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"251139"	402.160626	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1224124"	222.097226	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1205937"	111.552251	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"202335"	405.09796	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"639825"	585.16136	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1135683"	225.03456	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"187847"	203.052618	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"627048"	293.084318	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1130067"	113.020918	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410305"	75.6830373333333	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1435859"	227.076146	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231023"	208.08564	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1515805"	241.12819	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"424005"	211.039588	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"783778"	301.071288	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1680969"	121.007888	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265540"	424.142568	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1240440"	244.079168	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1727874"	244.102693	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1193585"	83.0103513333333	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1663841"	249.058088	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"171794"	437.04584	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"609531"	617.10924	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1097330"	256.98244	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"154867"	219.026558	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"594066"	309.058258	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1081496"	128.994858	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1110695"	258.996992	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1340882"	259.084607	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1008318"	263.123776	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1524500"	264.117408	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"990109"	132.065526	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1595058"	265.032028	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1416707"	295.063538	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1151009"	152.578801	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1706031"	312.090085	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1643870"	317.04548	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1581707"	333.01942	"C00137"	"myo-Inositol;D-myo-Inositol;1D-myo-Inositol;L-myo-Inositol;1L-myo-Inositol;meso-Inositol;Inositol;Dambose;Cyclohexitol;Meat sugar;Bios I"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"802960"	221.0899	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M"	0
"979046"	202.07151	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"64735"	146.385990666667	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"507944"	220.082624	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"883558"	72.6893573333333	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"3230"	220.082624	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"446069"	330.627574	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"829339"	109.537674	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"91520"	441.172524	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"531079"	662.262424	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"909976"	220.082624	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"61927"	458.199071	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"500631"	679.288971	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"876249"	237.109171	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"41963"	463.154466	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"479335"	684.244366	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"860418"	242.064566	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1625577"	242.064566	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"104291"	238.070963	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"546037"	348.615913	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"932991"	127.526013	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"279202"	477.149202	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"671622"	698.239102	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1279653"	256.059302	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"28771"	479.128406	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"466144"	700.218306	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"842851"	258.038506	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1564161"	258.038506	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"952043"	266.088094	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"374634"	487.178001	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"350864"	501.193651	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1499696"	280.103751	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"961770"	288.070051	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"124171"	256.059302	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"558996"	366.604252	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1029981"	145.514352	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1250654"	300.008785	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1314195"	302.064772	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1329507"	324.046729	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"919472"	334.075486	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1299464"	370.052164	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1369970"	186.077224	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1384184"	204.0872	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"284236"	443.187076	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"680667"	664.276976	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1354830"	222.097176	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"129176"	222.097176	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"570193"	332.642126	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1047011"	111.552226	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"211267"	148.400542666667	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"654470"	222.097176	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1175757"	74.7039093333333	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"429307"	460.213623	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"793219"	681.303523	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1685176"	239.123723	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"334183"	230.6104495	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"726971"	341.1553995	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1482250"	120.0654995	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"397284"	465.169018	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"759739"	686.258918	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1605654"	244.079118	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"318969"	233.088147	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"710301"	343.633097	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1464120"	122.543197	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1059554"	82.0312233333333	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1263419"	254.123386	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"384180"	481.142958	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"746270"	702.232858	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1547232"	260.053058	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"305498"	241.075117	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"701202"	351.620067	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1451740"	130.530167	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"250920"	484.213626	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1220342"	263.123726	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1203494"	132.065501	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"199648"	487.15096	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"635928"	708.24086	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1146496"	266.06106	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"187966"	244.079118	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"627402"	354.624068	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1127986"	133.534168	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1408230"	89.3585373333333	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1444117"	268.102646	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"235395"	249.11214	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1523098"	282.15469	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"423384"	252.066088	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"785110"	362.611038	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1680715"	141.521138	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"266382"	506.195568	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1240433"	285.105668	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1727128"	285.129193	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1191869"	96.6858513333333	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1664679"	290.084588	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"170080"	519.09884	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"611098"	740.18874	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1098894"	298.00894	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"151334"	260.053058	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"589072"	370.598008	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1080148"	149.508108	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1103518"	300.023492	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1338804"	300.111107	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1006605"	304.150276	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1525829"	305.143908	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"994098"	152.578776	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1592984"	306.058528	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1420827"	336.090038	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1151119"	173.092051	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1708330"	353.116585	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1647260"	358.07198	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1572339"	374.04592	"C00140"	"N-Acetyl-D-glucosamine;N-Acetylchitosamine;2-Acetamido-2-deoxy-D-glucose;GlcNAc"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"802342"	116.0473	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M"	0
"976969"	97.02891	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-H2O-H"	-19.01839
"64481"	76.3575906666667	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M-3H"	-3.021828
"504774"	115.040024	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M-3H"	-3.021828
"882575"	37.6751573333333	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-3H"	-3.021828
"3340"	115.040024	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M-2H"	-2.014552
"447272"	173.063674	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M-2H"	-2.014552
"827263"	57.016374	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-2H"	-2.014552
"88350"	231.087324	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M-H"	-1.007276
"525721"	347.134624	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M-H"	-1.007276
"902431"	115.040024	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-H"	-1.007276
"52796"	248.113871	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M-2H+NH4"	16.019271
"499647"	364.161171	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M-2H+NH4"	16.019271
"876359"	132.066571	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-2H+NH4"	16.019271
"42073"	253.069266	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M-2H+Na"	20.974666
"479445"	369.116566	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M-2H+Na"	20.974666
"857248"	137.021966	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-2H+Na"	20.974666
"1623135"	137.021966	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Na-2H"	20.974666
"103308"	133.028363	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M-H+Cl"	33.962126
"542866"	191.052013	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M-H+Cl"	33.962126
"930915"	75.004713	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-H+Cl"	33.962126
"278218"	267.064002	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+Cl"	34.969402
"670638"	383.111302	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+Cl"	34.969402
"1281950"	151.016702	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Cl"	34.969402
"27787"	269.043206	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M-2H+K"	36.948606
"465160"	385.090506	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M-2H+K"	36.948606
"842961"	152.995906	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-2H+K"	36.948606
"1564271"	152.995906	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+K-2H"	36.948606
"952153"	161.045494	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-H+HCOOH"	44.998194
"372193"	277.092801	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+HCOOH-H"	44.998201
"354254"	291.108451	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+Hac-H"	59.013851
"1499806"	175.061151	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Hac-H"	59.013851
"960786"	183.027451	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-H+NaCOOH"	66.980151
"123916"	151.016702	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+2Cl"	69.938804
"558011"	209.040352	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+2Cl"	69.938804
"1031185"	92.993052	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2Cl"	69.938804
"1250764"	194.966185	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Br"	78.918885
"1308838"	197.022172	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Cl+HCOOH"	80.974872
"1326337"	219.004129	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Cl+NaCOOH"	102.956829
"925048"	229.032886	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M-H+CF3COOH"	112.985586
"1298481"	265.009564	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Cl+CF3COOH"	148.962264
"1368987"	81.034624	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H-2H2O"	-35.012676
"1385021"	99.0446	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H-H2O"	-17.0027
"284346"	233.101876	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+H"	1.007276
"676038"	349.149176	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+H"	1.007276
"1352142"	117.054576	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H"	1.007276
"128190"	117.054576	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+2H"	2.014552
"568481"	175.078226	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+2H"	2.014552
"1043112"	59.030926	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2H"	2.014552
"208825"	78.3721426666667	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+3H"	3.021828
"654581"	117.054576	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+3H"	3.021828
"1173801"	39.6897093333333	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+3H"	3.021828
"428324"	250.128423	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+NH4"	18.033823
"792966"	366.175723	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+NH4"	18.033823
"1688202"	134.081123	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+NH4"	18.033823
"334293"	125.5678495	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+H+NH4"	19.041099
"725988"	183.5914995	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+H+NH4"	19.041099
"1479809"	67.5441995	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H+NH4"	19.041099
"396301"	255.083818	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+Na"	22.989218
"757663"	371.131118	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+Na"	22.989218
"1607951"	139.036518	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Na"	22.989218
"321266"	128.045547	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+H+Na"	23.996494
"712597"	186.069197	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+H+Na"	23.996494
"1466417"	70.021897	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H+Na"	23.996494
"1059664"	47.0170233333333	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2H+Na"	25.00377
"1264622"	149.080786	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+CH3OH+H"	33.033486
"387570"	271.057758	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+K"	38.963158
"746380"	387.105058	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+K"	38.963158
"1547342"	155.010458	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+K"	38.963158
"306701"	136.032517	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+H+K"	39.970434
"701312"	194.056167	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+H+K"	39.970434
"1460965"	78.008867	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H+K"	39.970434
"250784"	274.128426	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+ACN+H"	42.033826
"1219722"	158.081126	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+ACN+H"	42.033826
"1202510"	79.544201	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+ACN+2H"	43.041102
"198664"	277.06576	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+2Na-H"	44.97116
"636037"	393.11306	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+2Na-H"	44.97116
"1146485"	161.01846	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2Na-H"	44.97116
"187591"	139.036518	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+2Na"	45.978436
"627998"	197.060168	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+2Na"	45.978436
"1127003"	81.012868	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2Na"	45.978436
"1408340"	54.3443373333333	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H+2Na"	46.985712
"1444468"	163.060046	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H+HCOOH"	47.012746
"235142"	144.06954	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+3H2O+2H"	56.04448
"1522966"	177.11209	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+IsoProp+H"	61.06479
"423006"	147.023488	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+Na+K"	61.952376
"784978"	205.047138	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+Na+K"	61.952376
"1680461"	88.999838	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Na+K"	61.952376
"266127"	296.110368	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+ACN+Na"	64.015768
"1240948"	180.063068	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+ACN+Na"	64.015768
"1727357"	180.086593	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+NH4+HCOOH"	64.039293
"1191616"	61.6716513333333	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+3Na"	68.967654
"1663330"	185.041988	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Na+HCOOH"	68.994688
"170192"	309.01364	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+2K-H"	76.91904
"610845"	425.06094	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+2K-H"	76.91904
"1097182"	192.96634	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2K-H"	76.91904
"151080"	155.010458	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"2M+2K"	77.926316
"592098"	213.034108	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"3M+2K"	77.926316
"1079892"	96.986808	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2K"	77.926316
"1104721"	194.980892	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2K+H"	78.933592
"1337822"	195.068507	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+DMSO+H"	79.021207
"1006349"	199.107676	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2ACN+H"	83.060376
"1525696"	200.101308	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+IsoProp+Na+H"	84.054008
"991292"	100.057476	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+2ACN+2H"	84.067652
"1594187"	201.015928	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+K+HCOOH"	84.968628
"1420937"	231.047438	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+H+CF3COOH"	115.000138
"1151229"	120.570751	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+3ACN+2H"	125.094202
"1708440"	248.073985	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+NH4+CF3COOH"	132.026685
"1644090"	253.02938	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+Na+CF3COOH"	136.98208
"1571351"	269.00332	"C00141"	"3-Methyl-2-oxobutanoic acid;3-Methyl-2-oxobutyric acid;3-Methyl-2-oxobutanoate;2-Oxo-3-methylbutanoate;2-Oxoisovalerate;2-Oxoisopentanoate;alpha-Ketovaline;2-Ketovaline;2-Keto-3-methylbutyric acid"	"C5H8O3"	"116.0473"	"M+K+CF3COOH"	152.95602
"802452"	457.171	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M"	0
"977079"	438.15261	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-H2O-H"	-19.01839
"64591"	303.773390666667	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M-3H"	-3.021828
"507071"	456.163724	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M-3H"	-3.021828
"884871"	151.383057333333	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-3H"	-3.021828
"5637"	456.163724	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M-2H"	-2.014552
"446289"	684.749224	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M-2H"	-2.014552
"827373"	227.578224	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-2H"	-2.014552
"85178"	913.334724	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M-H"	-1.007276
"524734"	1370.505724	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M-H"	-1.007276
"903633"	456.163724	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-H"	-1.007276
"48771"	930.361271	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M-2H+NH4"	16.019271
"491373"	1387.532271	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M-2H+NH4"	16.019271
"876469"	473.190271	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-2H+NH4"	16.019271
"42182"	935.316666	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M-2H+Na"	20.974666
"476639"	1392.487666	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M-2H+Na"	20.974666
"854806"	478.145666	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-2H+Na"	20.974666
"1625797"	478.145666	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Na-2H"	20.974666
"100138"	474.152063	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M-H+Cl"	33.962126
"542976"	702.737563	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M-H+Cl"	33.962126
"937584"	245.566563	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-H+Cl"	33.962126
"277234"	949.311402	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+Cl"	34.969402
"672936"	1406.482402	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+Cl"	34.969402
"1279873"	492.140402	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Cl"	34.969402
"25708"	951.290606	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M-2H+K"	36.948606
"463083"	1408.461606	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M-2H+K"	36.948606
"839791"	494.119606	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-2H+K"	36.948606
"1564381"	494.119606	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+K-2H"	36.948606
"950076"	502.169194	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-H+HCOOH"	44.998194
"372667"	959.340201	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+HCOOH-H"	44.998201
"354364"	973.355851	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+Hac-H"	59.013851
"1498823"	516.184851	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Hac-H"	59.013851
"960896"	524.151151	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-H+NaCOOH"	66.980151
"117458"	492.140402	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+2Cl"	69.938804
"563586"	720.725902	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+2Cl"	69.938804
"1028014"	263.554902	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2Cl"	69.938804
"1245407"	536.089885	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Br"	78.918885
"1306395"	538.145872	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Cl+HCOOH"	80.974872
"1327540"	560.127829	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Cl+NaCOOH"	102.956829
"919691"	570.156586	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M-H+CF3COOH"	112.985586
"1296403"	606.133264	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Cl+CF3COOH"	148.962264
"1367228"	422.158324	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H-2H2O"	-35.012676
"1384402"	440.1683	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H-H2O"	-17.0027
"283359"	915.349276	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+H"	1.007276
"676021"	1372.520276	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+H"	1.007276
"1351763"	458.178276	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H"	1.007276
"127205"	458.178276	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+2H"	2.014552
"567130"	686.763776	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+2H"	2.014552
"1039576"	229.592776	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2H"	2.014552
"207842"	305.787942666667	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+3H"	3.021828
"651045"	458.178276	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+3H"	3.021828
"1166984"	153.397609333333	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+3H"	3.021828
"425029"	932.375823	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+NH4"	18.033823
"787971"	1389.546823	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+NH4"	18.033823
"1683936"	475.204823	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+NH4"	18.033823
"330755"	466.6915495	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+H+NH4"	19.041099
"723544"	695.2770495	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+H+NH4"	19.041099
"1479192"	238.1060495	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H+NH4"	19.041099
"394225"	937.331218	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+Na"	22.989218
"754857"	1394.502218	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+Na"	22.989218
"1604414"	480.160218	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Na"	22.989218
"315056"	469.169247	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+H+Na"	23.996494
"709426"	697.754747	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+H+Na"	23.996494
"1464338"	240.583747	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H+Na"	23.996494
"1055400"	160.724923333333	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2H+Na"	25.00377
"1259991"	490.204486	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+CH3OH+H"	33.033486
"384399"	953.305158	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+K"	38.963158
"743210"	1410.476158	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+K"	38.963158
"1547451"	496.134158	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+K"	38.963158
"302436"	477.156217	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+H+K"	39.970434
"697047"	705.741717	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+H+K"	39.970434
"1458521"	248.570717	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H+K"	39.970434
"247123"	956.375826	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+ACN+H"	42.033826
"1216551"	499.204826	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+ACN+H"	42.033826
"1200434"	250.106051	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+ACN+2H"	43.041102
"196586"	959.31316	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+2Na-H"	44.97116
"631773"	1416.48416	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+2Na-H"	44.97116
"1146102"	502.14216	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2Na-H"	44.97116
"187824"	480.160218	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+2Na"	45.978436
"627984"	708.745718	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+2Na"	45.978436
"1127113"	251.574718	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2Na"	45.978436
"1408450"	168.052237333333	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H+2Na"	46.985712
"1442389"	504.183746	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H+HCOOH"	47.012746
"235332"	485.19324	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+3H2O+2H"	56.04448
"1523761"	518.23579	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+IsoProp+H"	61.06479
"423115"	488.147188	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+Na+K"	61.952376
"785083"	716.732688	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+Na+K"	61.952376
"1680928"	259.561688	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Na+K"	61.952376
"264774"	978.357768	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+ACN+Na"	64.015768
"1238942"	521.186768	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+ACN+Na"	64.015768
"1727465"	521.210293	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+NH4+HCOOH"	64.039293
"1190996"	175.379551333333	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+3Na"	68.967654
"1662346"	526.165688	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Na+HCOOH"	68.994688
"169937"	991.26104	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+2K-H"	76.91904
"610955"	1448.43204	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+2K-H"	76.91904
"1097291"	534.09004	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2K-H"	76.91904
"151554"	496.134158	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"2M+2K"	77.926316
"590386"	724.719658	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"3M+2K"	77.926316
"1079272"	267.548658	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2K"	77.926316
"1104830"	536.104592	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2K+H"	78.933592
"1336836"	536.192207	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+DMSO+H"	79.021207
"1007067"	540.231376	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2ACN+H"	83.060376
"1524951"	541.225008	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+IsoProp+Na+H"	84.054008
"990790"	270.619326	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+2ACN+2H"	84.067652
"1594297"	542.139628	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+K+HCOOH"	84.968628
"1421047"	572.171138	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+H+CF3COOH"	115.000138
"1150246"	291.132601	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+3ACN+2H"	125.094202
"1708550"	589.197685	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+NH4+CF3COOH"	132.026685
"1644200"	594.15308	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+Na+CF3COOH"	136.98208
"1571830"	610.12702	"C00143"	"510-Methylenetetrahydrofolate;(6R)-510-Methylenetetrahydrofolate;510-Methylene-THF"	"C20H23N7O6"	"457.171"	"M+K+CF3COOH"	152.95602
"803655"	363.058	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M"	0
"980470"	344.03961	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-H2O-H"	-19.01839
"65794"	241.031390666667	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M-3H"	-3.021828
"507181"	362.050724	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M-3H"	-3.021828
"882794"	120.012057333333	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-3H"	-3.021828
"7934"	362.050724	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M-2H"	-2.014552
"448587"	543.579724	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M-2H"	-2.014552
"829669"	180.521724	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-2H"	-2.014552
"85288"	725.108724	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M-H"	-1.007276
"531045"	1088.166724	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M-H"	-1.007276
"907024"	362.050724	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-H"	-1.007276
"53016"	742.135271	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M-2H+NH4"	16.019271
"498774"	1105.193271	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M-2H+NH4"	16.019271
"876579"	379.077271	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-2H+NH4"	16.019271
"42292"	747.090666	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M-2H+Na"	20.974666
"481854"	1110.148666	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M-2H+Na"	20.974666
"856375"	384.032666	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-2H+Na"	20.974666
"1625908"	384.032666	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Na-2H"	20.974666
"97697"	380.039063	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M-H+Cl"	33.962126
"548435"	561.568063	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M-H+Cl"	33.962126
"940975"	198.510063	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-H+Cl"	33.962126
"277345"	761.085402	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+Cl"	34.969402
"670860"	1124.143402	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+Cl"	34.969402
"1281077"	398.027402	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Cl"	34.969402
"25821"	763.064606	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M-2H+K"	36.948606
"467568"	1126.122606	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M-2H+K"	36.948606
"845369"	400.006606	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-2H+K"	36.948606
"1564491"	400.006606	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+K-2H"	36.948606
"950186"	408.056194	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-H+HCOOH"	44.998194
"368401"	771.114201	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+HCOOH-H"	44.998201
"354474"	785.129851	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+Hac-H"	59.013851
"1498933"	422.071851	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Hac-H"	59.013851
"960034"	430.038151	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-H+NaCOOH"	66.980151
"117568"	398.027402	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+2Cl"	69.938804
"562604"	579.556402	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+2Cl"	69.938804
"1031405"	216.498402	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2Cl"	69.938804
"1249891"	441.976885	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Br"	78.918885
"1311245"	444.032872	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Cl+HCOOH"	80.974872
"1330930"	466.014829	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Cl+NaCOOH"	102.956829
"920166"	476.043586	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M-H+CF3COOH"	112.985586
"1297606"	512.020264	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Cl+CF3COOH"	148.962264
"1370664"	328.045324	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H-2H2O"	-35.012676
"1384880"	346.0553	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H-H2O"	-17.0027
"284930"	727.123276	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+H"	1.007276
"677350"	1090.181276	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+H"	1.007276
"1355161"	364.065276	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H"	1.007276
"133516"	364.065276	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+2H"	2.014552
"569798"	545.594276	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+2H"	2.014552
"1041148"	182.536276	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2H"	2.014552
"208681"	243.045942666667	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+3H"	3.021828
"651522"	364.065276	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+3H"	3.021828
"1170739"	122.026609333333	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+3H"	3.021828
"430733"	744.149823	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+NH4"	18.033823
"793185"	1107.207823	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+NH4"	18.033823
"1685141"	381.091823	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+NH4"	18.033823
"333786"	372.5785495	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+H+NH4"	19.041099
"724386"	554.1075495	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+H+NH4"	19.041099
"1481489"	191.0495495	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H+NH4"	19.041099
"396890"	749.105218	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+Na"	22.989218
"757158"	1112.163218	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+Na"	22.989218
"1605985"	386.047218	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Na"	22.989218
"318208"	375.056247	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+H+Na"	23.996494
"715005"	556.585247	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+H+Na"	23.996494
"1467734"	193.527247	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H+Na"	23.996494
"1057697"	129.353923333333	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2H+Na"	25.00377
"1264841"	396.091486	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+CH3OH+H"	33.033486
"384509"	765.079158	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+K"	38.963158
"746600"	1128.137158	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+K"	38.963158
"1549386"	402.021158	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+K"	38.963158
"310205"	383.043217	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+H+K"	39.970434
"702624"	564.572217	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+H+K"	39.970434
"1457903"	201.514217	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H+K"	39.970434
"247963"	768.149826	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+ACN+H"	42.033826
"1221402"	405.091826	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+ACN+H"	42.033826
"1201636"	203.049551	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+ACN+2H"	43.041102
"197789"	771.08716	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+2Na-H"	44.97116
"634068"	1134.14516	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+2Na-H"	44.97116
"1146333"	408.02916	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2Na-H"	44.97116
"188512"	386.047218	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+2Na"	45.978436
"626633"	567.576218	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+2Na"	45.978436
"1127223"	204.518218	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2Na"	45.978436
"1413951"	136.681237333333	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H+2Na"	46.985712
"1445428"	410.070746	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H+HCOOH"	47.012746
"235247"	391.08024	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+3H2O+2H"	56.04448
"1524146"	424.12279	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+IsoProp+H"	61.06479
"421403"	394.034188	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+Na+K"	61.952376
"784465"	575.563188	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+Na+K"	61.952376
"1679823"	212.505188	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Na+K"	61.952376
"264155"	790.131768	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+ACN+Na"	64.015768
"1240513"	427.073768	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+ACN+Na"	64.015768
"1725389"	427.097293	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+NH4+HCOOH"	64.039293
"1187827"	144.008551333333	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+3Na"	68.967654
"1662459"	432.052688	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Na+HCOOH"	68.994688
"167864"	803.03504	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+2K-H"	76.91904
"608518"	1166.09304	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+2K-H"	76.91904
"1094851"	439.97704	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2K-H"	76.91904
"152757"	402.021158	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"2M+2K"	77.926316
"592683"	583.550158	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"3M+2K"	77.926316
"1080475"	220.492158	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2K"	77.926316
"1110406"	441.991592	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2K+H"	78.933592
"1348980"	442.079207	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+DMSO+H"	79.021207
"1016413"	446.118376	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2ACN+H"	83.060376
"1536365"	447.112008	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+IsoProp+Na+H"	84.054008
"990899"	223.562826	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+2ACN+2H"	84.067652
"1587344"	448.026628	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+K+HCOOH"	84.968628
"1416777"	478.058138	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+H+CF3COOH"	115.000138
"1151446"	244.076101	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+3ACN+2H"	125.094202
"1703191"	495.084685	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+NH4+CF3COOH"	132.026685
"1647590"	500.04008	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+Na+CF3COOH"	136.98208
"1571697"	516.01402	"C00144"	"GMP;Guanosine 5-phosphate;Guanosine monophosphate;Guanosine 5-monophosphate;Guanylic acid"	"C10H14N5O8P"	"363.058"	"M+K+CF3COOH"	152.95602
"802675"	94.0419	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M"	0
"974215"	75.02351	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-H2O-H"	-19.01839
"67730"	61.687324	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M-3H"	-3.021828
"507291"	93.034624	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M-3H"	-3.021828
"887282"	30.340024	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-3H"	-3.021828
"8044"	93.034624	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M-2H"	-2.014552
"448697"	140.055574	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M-2H"	-2.014552
"827592"	46.013674	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-2H"	-2.014552
"89773"	187.076524	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M-H"	-1.007276
"531519"	281.118424	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M-H"	-1.007276
"907134"	93.034624	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-H"	-1.007276
"53126"	204.103071	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M-2H+NH4"	16.019271
"497791"	298.144971	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M-2H+NH4"	16.019271
"871218"	110.061171	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-2H+NH4"	16.019271
"39119"	209.058466	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M-2H+Na"	20.974666
"474669"	303.100366	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M-2H+Na"	20.974666
"854660"	115.016566	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-2H+Na"	20.974666
"1628202"	115.016566	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Na-2H"	20.974666
"104731"	111.022963	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M-H+Cl"	33.962126
"538824"	158.043913	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M-H+Cl"	33.962126
"930152"	64.002013	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-H+Cl"	33.962126
"275270"	223.053202	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+Cl"	34.969402
"664409"	317.095102	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+Cl"	34.969402
"1283376"	129.011302	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Cl"	34.969402
"20464"	225.032406	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M-2H+K"	36.948606
"463303"	319.074306	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M-2H+K"	36.948606
"837825"	130.990506	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-2H+K"	36.948606
"1558035"	130.990506	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+K-2H"	36.948606
"955767"	139.040094	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-H+HCOOH"	44.998194
"370703"	233.082001	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+HCOOH-H"	44.998201
"358596"	247.097651	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+Hac-H"	59.013851
"1504147"	153.055751	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Hac-H"	59.013851
"968774"	161.022051	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-H+NaCOOH"	66.980151
"117682"	129.011302	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+2Cl"	69.938804
"560526"	176.032252	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+2Cl"	69.938804
"1030420"	81.990352	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2Cl"	69.938804
"1249999"	172.960785	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Br"	78.918885
"1304228"	175.016772	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Cl+HCOOH"	80.974872
"1324478"	196.998729	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Cl+NaCOOH"	102.956829
"922829"	207.027486	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M-H+CF3COOH"	112.985586
"1296622"	243.004164	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Cl+CF3COOH"	148.962264
"1368952"	59.029224	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H-2H2O"	-35.012676
"1387177"	77.0392	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H-H2O"	-17.0027
"283460"	189.091076	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+H"	1.007276
"677827"	283.132976	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+H"	1.007276
"1354176"	95.049176	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H"	1.007276
"129255"	95.049176	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+2H"	2.014552
"572095"	142.070126	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+2H"	2.014552
"1040161"	48.028226	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2H"	2.014552
"209154"	63.701876	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+3H"	3.021828
"647256"	95.049176	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+3H"	3.021828
"1167573"	32.354576	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+3H"	3.021828
"429020"	206.117623	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+NH4"	18.033823
"790016"	300.159523	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+NH4"	18.033823
"1683430"	112.075723	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+NH4"	18.033823
"332437"	103.5624495	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+H+NH4"	19.041099
"727778"	150.5833995	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+H+NH4"	19.041099
"1480509"	56.5414995	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H+NH4"	19.041099
"397000"	211.073018	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+Na"	22.989218
"759090"	305.114918	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+Na"	22.989218
"1606095"	117.031118	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Na"	22.989218
"317224"	106.040147	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+H+Na"	23.996494
"714021"	153.061097	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+H+Na"	23.996494
"1466748"	59.019197	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H+Na"	23.996494
"1056715"	39.68189	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2H+Na"	25.00377
"1262765"	127.075386	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+CH3OH+H"	33.033486
"380247"	227.046958	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+K"	38.963158
"746712"	321.088858	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+K"	38.963158
"1542200"	133.005058	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+K"	38.963158
"308124"	114.027117	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+H+K"	39.970434
"701640"	161.048067	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+H+K"	39.970434
"1454367"	67.006167	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H+K"	39.970434
"247343"	230.117626	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+ACN+H"	42.033826
"1216772"	136.075726	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+ACN+H"	42.033826
"1203934"	68.541501	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+ACN+2H"	43.041102
"192434"	233.05496	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+2Na-H"	44.97116
"642697"	327.09686	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+2Na-H"	44.97116
"1145839"	139.01306	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2Na-H"	44.97116
"188531"	117.031118	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+2Na"	45.978436
"626013"	164.052068	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+2Na"	45.978436
"1125146"	70.010168	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2Na"	45.978436
"1413411"	47.009204	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H+2Na"	46.985712
"1445549"	141.054646	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H+HCOOH"	47.012746
"235626"	122.06414	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+3H2O+2H"	56.04448
"1516358"	155.10669	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+IsoProp+H"	61.06479
"422606"	125.018088	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+Na+K"	61.952376
"785224"	172.039038	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+Na+K"	61.952376
"1676652"	77.997138	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Na+K"	61.952376
"263902"	252.099568	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+ACN+Na"	64.015768
"1237703"	158.057668	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+ACN+Na"	64.015768
"1724768"	158.081193	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+NH4+HCOOH"	64.039293
"1191945"	54.336518	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+3Na"	68.967654
"1658924"	163.036588	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Na+HCOOH"	68.994688
"169064"	265.00284	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+2K-H"	76.91904
"609717"	359.04474	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+2K-H"	76.91904
"1095323"	170.96094	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2K-H"	76.91904
"153598"	133.005058	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"2M+2K"	77.926316
"592431"	180.026008	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"3M+2K"	77.926316
"1080590"	85.984108	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2K"	77.926316
"1111612"	172.975492	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2K+H"	78.933592
"1343619"	173.063107	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+DMSO+H"	79.021207
"1019078"	177.102276	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2ACN+H"	83.060376
"1526993"	178.095908	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+IsoProp+Na+H"	84.054008
"990522"	89.054776	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+2ACN+2H"	84.067652
"1588066"	179.010528	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+K+HCOOH"	84.968628
"1420175"	209.042038	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+H+CF3COOH"	115.000138
"1149374"	109.568051	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+3ACN+2H"	125.094202
"1701114"	226.068585	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+NH4+CF3COOH"	132.026685
"1644421"	231.02398	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+Na+CF3COOH"	136.98208
"1585540"	246.99792	"C00146"	"Phenol;Benzenol;Hydroxybenzene;Phenic acid;Phenylic acid"	"C6H6O"	"94.0419"	"M+K+CF3COOH"	152.95602
"808251"	135.0545	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M"	0
"979598"	116.03611	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-H2O-H"	-19.01839
"70028"	89.0290573333333	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M-3H"	-3.021828
"507401"	134.047224	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M-3H"	-3.021828
"887392"	44.0108906666667	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-3H"	-3.021828
"5966"	134.047224	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M-2H"	-2.014552
"448807"	201.574474	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M-2H"	-2.014552
"826609"	66.519974	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-2H"	-2.014552
"86601"	269.101724	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M-H"	-1.007276
"531387"	404.156224	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M-H"	-1.007276
"907244"	134.047224	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-H"	-1.007276
"57247"	286.128271	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M-2H+NH4"	16.019271
"495714"	421.182771	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M-2H+NH4"	16.019271
"875703"	151.073771	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-2H+NH4"	16.019271
"35949"	291.083666	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M-2H+Na"	20.974666
"474779"	426.138166	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M-2H+Na"	20.974666
"854406"	156.029166	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-2H+Na"	20.974666
"1625032"	156.029166	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Na-2H"	20.974666
"101560"	152.035563	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M-H+Cl"	33.962126
"538934"	219.562813	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M-H+Cl"	33.962126
"932449"	84.508313	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-H+Cl"	33.962126
"274286"	305.078402	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+Cl"	34.969402
"664154"	440.132902	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+Cl"	34.969402
"1280206"	170.023902	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Cl"	34.969402
"18386"	307.057606	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M-2H+K"	36.948606
"462319"	442.112106	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M-2H+K"	36.948606
"835748"	172.003106	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-2H+K"	36.948606
"1559238"	172.003106	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+K-2H"	36.948606
"955148"	180.052694	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-H+HCOOH"	44.998194
"368626"	315.107201	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+HCOOH-H"	44.998201
"359435"	329.122851	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+Hac-H"	59.013851
"1503528"	194.068351	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Hac-H"	59.013851
"968884"	202.034651	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-H+NaCOOH"	66.980151
"117793"	170.023902	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+2Cl"	69.938804
"559543"	237.551152	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+2Cl"	69.938804
"1029437"	102.496652	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2Cl"	69.938804
"1250109"	213.973385	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Br"	78.918885
"1307091"	216.029372	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Cl+HCOOH"	80.974872
"1324588"	238.011329	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Cl+NaCOOH"	102.956829
"920021"	248.040086	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M-H+CF3COOH"	112.985586
"1297825"	284.016764	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Cl+CF3COOH"	148.962264
"1369062"	100.041824	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H-2H2O"	-35.012676
"1387288"	118.0518	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H-H2O"	-17.0027
"287704"	271.116276	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+H"	1.007276
"681220"	406.170776	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+H"	1.007276
"1352829"	136.061776	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H"	1.007276
"129364"	136.061776	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+2H"	2.014552
"570017"	203.589026	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+2H"	2.014552
"1044282"	68.534526	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2H"	2.014552
"212181"	91.0436093333333	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+3H"	3.021828
"650649"	136.061776	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+3H"	3.021828
"1166587"	46.0254426666667	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+3H"	3.021828
"427673"	288.142823	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+NH4"	18.033823
"789761"	423.197323	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+NH4"	18.033823
"1684999"	153.088323	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+NH4"	18.033823
"331817"	144.5750495	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+H+NH4"	19.041099
"726795"	212.1022995	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+H+NH4"	19.041099
"1480619"	77.0477995	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H+NH4"	19.041099
"394924"	293.098218	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+Na"	22.989218
"760293"	428.152718	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+Na"	22.989218
"1606204"	158.043718	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Na"	22.989218
"318428"	147.052747	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+H+Na"	23.996494
"714130"	214.579997	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+H+Na"	23.996494
"1467952"	79.525497	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H+Na"	23.996494
"1061198"	53.3527566666667	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2H+Na"	25.00377
"1263969"	168.087986	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+CH3OH+H"	33.033486
"384731"	309.072158	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+K"	38.963158
"746822"	444.126658	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+K"	38.963158
"1548871"	174.017658	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+K"	38.963158
"308234"	155.039717	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+H+K"	39.970434
"701750"	222.566967	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+H+K"	39.970434
"1454478"	87.512467	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H+K"	39.970434
"247453"	312.142826	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+ACN+H"	42.033826
"1215791"	177.088326	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+ACN+H"	42.033826
"1202952"	89.047801	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+ACN+2H"	43.041102
"192545"	315.08016	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+2Na-H"	44.97116
"641593"	450.13466	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+2Na-H"	44.97116
"1144009"	180.02566	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2Na-H"	44.97116
"184384"	158.043718	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+2Na"	45.978436
"627221"	225.570968	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+2Na"	45.978436
"1130363"	90.516468	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2Na"	45.978436
"1412066"	60.6800706666667	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H+2Na"	46.985712
"1445236"	182.067246	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H+HCOOH"	47.012746
"235175"	163.07674	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+3H2O+2H"	56.04448
"1517928"	196.11929	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+IsoProp+H"	61.06479
"420896"	166.030688	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+Na+K"	61.952376
"781529"	233.557938	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+Na+K"	61.952376
"1678588"	98.503438	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Na+K"	61.952376
"265473"	334.124768	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+ACN+Na"	64.015768
"1238180"	199.070268	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+ACN+Na"	64.015768
"1725608"	199.093793	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+NH4+HCOOH"	64.039293
"1191329"	68.0073846666667	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+3Na"	68.967654
"1659403"	204.049188	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Na+HCOOH"	68.994688
"169905"	347.02804	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+2K-H"	76.91904
"610560"	482.08254	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+2K-H"	76.91904
"1095435"	211.97354	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2K-H"	76.91904
"152616"	174.017658	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"2M+2K"	77.926316
"591812"	241.544908	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"3M+2K"	77.926316
"1082158"	106.490408	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2K"	77.926316
"1111722"	213.988092	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2K+H"	78.933592
"1345191"	214.075707	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+DMSO+H"	79.021207
"1020040"	218.114876	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2ACN+H"	83.060376
"1530384"	219.108508	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+IsoProp+Na+H"	84.054008
"990634"	109.561076	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+2ACN+2H"	84.067652
"1588541"	220.023128	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+K+HCOOH"	84.968628
"1422475"	250.054638	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+H+CF3COOH"	115.000138
"1156046"	130.074351	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+3ACN+2H"	125.094202
"1706692"	267.081185	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+NH4+CF3COOH"	132.026685
"1644531"	272.03658	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+Na+CF3COOH"	136.98208
"1582370"	288.01052	"C00147"	"Adenine;6-Aminopurine"	"C5H5N5"	"135.0545"	"M+K+CF3COOH"	152.95602
"801756"	115.0633	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M"	0
"975081"	96.04491	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-H2O-H"	-19.01839
"70138"	75.7015906666667	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M-3H"	-3.021828
"508604"	114.056024	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M-3H"	-3.021828
"887502"	37.3471573333333	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-3H"	-3.021828
"6076"	114.056024	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M-2H"	-2.014552
"447824"	171.587674	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M-2H"	-2.014552
"825626"	56.524374	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-2H"	-2.014552
"86711"	229.119324	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M-H"	-1.007276
"530646"	344.182624	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M-H"	-1.007276
"905169"	114.056024	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-H"	-1.007276
"59182"	246.145871	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M-2H+NH4"	16.019271
"494731"	361.209171	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M-2H+NH4"	16.019271
"871441"	131.082571	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-2H+NH4"	16.019271
"39339"	251.101266	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M-2H+Na"	20.974666
"475984"	366.164566	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M-2H+Na"	20.974666
"856702"	136.037966	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-2H+Na"	20.974666
"1629515"	136.037966	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Na-2H"	20.974666
"104948"	132.044363	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M-H+Cl"	33.962126
"542324"	189.576013	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M-H+Cl"	33.962126
"940211"	74.512713	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-H+Cl"	33.962126
"275488"	265.096002	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+Cl"	34.969402
"673620"	380.159302	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+Cl"	34.969402
"1284322"	150.032702	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Cl"	34.969402
"23961"	267.075206	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M-2H+K"	36.948606
"460241"	382.138506	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M-2H+K"	36.948606
"834761"	152.011906	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-2H+K"	36.948606
"1559348"	152.011906	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+K-2H"	36.948606
"953436"	160.061494	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-H+HCOOH"	44.998194
"366548"	275.124801	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+HCOOH-H"	44.998201
"355901"	289.140451	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+Hac-H"	59.013851
"1501453"	174.077151	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Hac-H"	59.013851
"964616"	182.043451	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-H+NaCOOH"	66.980151
"116805"	150.032702	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+2Cl"	69.938804
"551631"	207.564352	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+2Cl"	69.938804
"1026264"	92.501052	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2Cl"	69.938804
"1245116"	193.982185	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Br"	78.918885
"1305375"	196.038172	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Cl+HCOOH"	80.974872
"1321413"	218.020129	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Cl+NaCOOH"	102.956829
"915754"	228.048886	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M-H+CF3COOH"	112.985586
"1293926"	264.025564	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Cl+CF3COOH"	148.962264
"1367161"	80.050624	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H-2H2O"	-35.012676
"1384480"	98.0606	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H-H2O"	-17.0027
"282984"	231.133876	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+H"	1.007276
"678413"	346.197176	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+H"	1.007276
"1353303"	116.070576	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H"	1.007276
"128381"	116.070576	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+2H"	2.014552
"569033"	173.602226	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+2H"	2.014552
"1042205"	58.538926	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2H"	2.014552
"211197"	77.7161426666667	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+3H"	3.021828
"647112"	116.070576	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+3H"	3.021828
"1166696"	39.3617093333333	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+3H"	3.021828
"426323"	248.160423	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+NH4"	18.033823
"788410"	363.223723	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+NH4"	18.033823
"1683647"	133.097123	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+NH4"	18.033823
"331925"	124.5838495	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+H+NH4"	19.041099
"725812"	182.1154995	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+H+NH4"	19.041099
"1484008"	67.0521995	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H+NH4"	19.041099
"398313"	253.115818	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+Na"	22.989218
"761496"	368.179118	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+Na"	22.989218
"1603150"	138.052518	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Na"	22.989218
"319631"	127.061547	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+H+Na"	23.996494
"715333"	184.593197	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+H+Na"	23.996494
"1464779"	69.529897	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H+Na"	23.996494
"1062401"	46.6890233333333	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2H+Na"	25.00377
"1264079"	148.096786	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+CH3OH+H"	33.033486
"384841"	269.089758	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+K"	38.963158
"748027"	384.153058	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+K"	38.963158
"1546795"	154.026458	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+K"	38.963158
"311629"	135.048517	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+H+K"	39.970434
"700766"	192.580167	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+H+K"	39.970434
"1457868"	77.516867	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H+K"	39.970434
"247563"	272.160426	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+ACN+H"	42.033826
"1218085"	157.097126	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+ACN+H"	42.033826
"1205249"	79.052201	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+ACN+2H"	43.041102
"193748"	275.09776	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+2Na-H"	44.97116
"633679"	390.16106	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+2Na-H"	44.97116
"1143390"	160.03446	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2Na-H"	44.97116
"186680"	138.052518	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+2Na"	45.978436
"625510"	195.584168	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+2Na"	45.978436
"1126827"	80.520868	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2Na"	45.978436
"1412176"	54.0163373333333	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H+2Na"	46.985712
"1443926"	162.076046	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H+HCOOH"	47.012746
"234351"	143.08554	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+3H2O+2H"	56.04448
"1517310"	176.12809	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+IsoProp+H"	61.06479
"420642"	146.039488	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+Na+K"	61.952376
"782367"	203.571138	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+Na+K"	61.952376
"1679793"	88.507838	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Na+K"	61.952376
"265583"	294.142368	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+ACN+Na"	64.015768
"1239749"	179.079068	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+ACN+Na"	64.015768
"1722804"	179.102593	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+NH4+HCOOH"	64.039293
"1189983"	61.3436513333333	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+3Na"	68.967654
"1659513"	184.057988	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Na+HCOOH"	68.994688
"168561"	307.04564	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+2K-H"	76.91904
"609576"	422.10894	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+2K-H"	76.91904
"1095180"	191.98234	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2K-H"	76.91904
"152363"	154.026458	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"2M+2K"	77.926316
"594476"	211.558108	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"3M+2K"	77.926316
"1081541"	96.494808	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2K"	77.926316
"1114389"	193.996892	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2K+H"	78.933592
"1346394"	194.084507	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+DMSO+H"	79.021207
"1019058"	198.123676	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2ACN+H"	83.060376
"1532682"	199.117308	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+IsoProp+Na+H"	84.054008
"990623"	99.565476	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+2ACN+2H"	84.067652
"1587049"	200.031928	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+K+HCOOH"	84.968628
"1419299"	230.063438	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+H+CF3COOH"	115.000138
"1156156"	120.078751	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+3ACN+2H"	125.094202
"1706802"	247.089985	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+NH4+CF3COOH"	132.026685
"1644641"	252.04538	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+Na+CF3COOH"	136.98208
"1582480"	268.01932	"C00148"	"L-Proline;2-Pyrrolidinecarboxylic acid"	"C5H9NO2"	"115.0633"	"M+K+CF3COOH"	152.95602
"801866"	134.0215	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M"	0
"984192"	115.00311	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-H2O-H"	-19.01839
"73529"	88.3403906666667	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M-3H"	-3.021828
"510902"	133.014224	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M-3H"	-3.021828
"889798"	43.6665573333333	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-3H"	-3.021828
"11654"	133.014224	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M-2H"	-2.014552
"449028"	200.024974	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M-2H"	-2.014552
"823547"	66.003474	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-2H"	-2.014552
"87916"	267.035724	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M-H"	-1.007276
"528570"	401.057224	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M-H"	-1.007276
"907467"	133.014224	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-H"	-1.007276
"60747"	284.062271	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M-2H+NH4"	16.019271
"494841"	418.083771	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M-2H+NH4"	16.019271
"872644"	150.040771	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-2H+NH4"	16.019271
"37627"	289.017666	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M-2H+Na"	20.974666
"475001"	423.039166	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M-2H+Na"	20.974666
"853896"	154.996166	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-2H+Na"	20.974666
"1625251"	154.996166	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Na-2H"	20.974666
"102875"	151.002563	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M-H+Cl"	33.962126
"539155"	218.013313	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M-H+Cl"	33.962126
"937039"	83.991813	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-H+Cl"	33.962126
"277784"	303.012402	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+Cl"	34.969402
"666924"	437.033902	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+Cl"	34.969402
"1280422"	168.990902	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Cl"	34.969402
"21886"	304.991606	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M-2H+K"	36.948606
"459986"	439.013106	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M-2H+K"	36.948606
"836332"	170.970106	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-2H+K"	36.948606
"1562738"	170.970106	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+K-2H"	36.948606
"953546"	179.019694	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-H+HCOOH"	44.998194
"365565"	313.041201	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+HCOOH-H"	44.998201
"354915"	327.056851	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+Hac-H"	59.013851
"1501561"	193.035351	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Hac-H"	59.013851
"966917"	201.001651	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-H+NaCOOH"	66.980151
"119102"	168.990902	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+2Cl"	69.938804
"552472"	236.001652	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+2Cl"	69.938804
"1025281"	101.980152	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2Cl"	69.938804
"1242428"	212.940385	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Br"	78.918885
"1305117"	214.996372	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Cl+HCOOH"	80.974872
"1321155"	236.978329	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Cl+NaCOOH"	102.956829
"916959"	247.007086	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M-H+CF3COOH"	112.985586
"1292574"	282.983764	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Cl+CF3COOH"	148.962264
"1368551"	99.008824	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H-2H2O"	-35.012676
"1386049"	117.0188	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H-H2O"	-17.0027
"284029"	269.050276	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+H"	1.007276
"675963"	403.071776	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+H"	1.007276
"1354867"	135.028776	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H"	1.007276
"131766"	135.028776	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+2H"	2.014552
"568046"	202.039526	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+2H"	2.014552
"1043407"	68.018026	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2H"	2.014552
"211306"	90.3549426666667	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+3H"	3.021828
"645757"	135.028776	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+3H"	3.021828
"1168991"	45.6811093333333	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+3H"	3.021828
"427161"	286.076823	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+NH4"	18.033823
"789612"	420.098323	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+NH4"	18.033823
"1683393"	152.055323	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+NH4"	18.033823
"331310"	143.5420495	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+H+NH4"	19.041099
"725924"	210.5527995	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+H+NH4"	19.041099
"1480112"	76.5312995	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H+NH4"	19.041099
"397333"	291.032218	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+Na"	22.989218
"760512"	425.053718	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+Na"	22.989218
"1610800"	157.010718	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Na"	22.989218
"323025"	146.019747	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+H+Na"	23.996494
"713259"	213.030497	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+H+Na"	23.996494
"1468174"	79.008997	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H+Na"	23.996494
"1059230"	53.0084233333333	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2H+Na"	25.00377
"1267472"	167.054986	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+CH3OH+H"	33.033486
"383862"	307.006158	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+K"	38.963158
"750322"	441.027658	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+K"	38.963158
"1549092"	172.984658	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+K"	38.963158
"309550"	154.006717	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+H+K"	39.970434
"699783"	221.017467	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+H+K"	39.970434
"1453604"	86.995967	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H+K"	39.970434
"245487"	310.076826	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+ACN+H"	42.033826
"1218195"	176.055326	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+ACN+H"	42.033826
"1198068"	88.531301	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+ACN+2H"	43.041102
"194949"	313.01416	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+2Na-H"	44.97116
"637801"	447.03566	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+2Na-H"	44.97116
"1144956"	178.99266	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2Na-H"	44.97116
"186421"	157.010718	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+2Na"	45.978436
"625979"	224.021468	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+2Na"	45.978436
"1124380"	89.999968	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2Na"	45.978436
"1405720"	60.3357373333333	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H+2Na"	46.985712
"1438930"	181.034246	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H+HCOOH"	47.012746
"232274"	162.04374	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+3H2O+2H"	56.04448
"1517781"	195.08629	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+IsoProp+H"	61.06479
"418562"	164.997688	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+Na+K"	61.952376
"781744"	232.008438	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+Na+K"	61.952376
"1675889"	97.986938	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Na+K"	61.952376
"263506"	332.058768	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+ACN+Na"	64.015768
"1236214"	198.037268	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+ACN+Na"	64.015768
"1721092"	198.060793	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+NH4+HCOOH"	64.039293
"1189363"	67.6630513333333	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+3Na"	68.967654
"1661081"	203.016188	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Na+HCOOH"	68.994688
"167211"	344.96204	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+2K-H"	76.91904
"610780"	478.98354	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+2K-H"	76.91904
"1096385"	210.94054	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2K-H"	76.91904
"151379"	172.984658	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"2M+2K"	77.926316
"592032"	239.995408	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"3M+2K"	77.926316
"1082379"	105.973908	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2K"	77.926316
"1113890"	212.955092	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2K+H"	78.933592
"1347599"	213.042707	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+DMSO+H"	79.021207
"1010293"	217.081876	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2ACN+H"	83.060376
"1525503"	218.075508	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+IsoProp+Na+H"	84.054008
"991344"	109.044576	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+2ACN+2H"	84.067652
"1587664"	218.990128	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+K+HCOOH"	84.968628
"1418316"	249.021638	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+H+CF3COOH"	115.000138
"1148611"	129.557851	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+3ACN+2H"	125.094202
"1706912"	266.048185	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+NH4+CF3COOH"	132.026685
"1644751"	271.00358	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+Na+CF3COOH"	136.98208
"1585870"	286.97752	"C00149"	"(S)-Malate;L-Malate;L-Apple acid;L-Malic acid;L-2-Hydroxybutanedioic acid;Malate;Malic acid"	"C4H6O5"	"134.0215"	"M+K+CF3COOH"	152.95602
"801366"	97.9054	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M"	0
"974265"	78.88701	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-H2O-H"	-19.01839
"78506"	64.2629906666667	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M-3H"	-3.021828
"513199"	96.898124	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M-3H"	-3.021828
"893919"	31.6278573333333	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-3H"	-3.021828
"14681"	96.898124	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M-2H"	-2.014552
"449138"	145.850824	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M-2H"	-2.014552
"823659"	47.945424	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-2H"	-2.014552
"88026"	194.803524	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M-H"	-1.007276
"528681"	292.708924	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M-H"	-1.007276
"908672"	96.898124	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-H"	-1.007276
"57580"	211.830071	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M-2H+NH4"	16.019271
"498233"	309.735471	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M-2H+NH4"	16.019271
"870568"	113.924671	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-2H+NH4"	16.019271
"38468"	216.785466	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M-2H+Na"	20.974666
"476935"	314.690866	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M-2H+Na"	20.974666
"853643"	118.880066	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-2H+Na"	20.974666
"1625362"	118.880066	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Na-2H"	20.974666
"102986"	114.886463	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M-H+Cl"	33.962126
"539265"	163.839163	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M-H+Cl"	33.962126
"932778"	65.933763	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-H+Cl"	33.962126
"276802"	230.780202	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+Cl"	34.969402
"664848"	328.685602	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+Cl"	34.969402
"1278346"	132.874802	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Cl"	34.969402
"20902"	232.759406	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M-2H+K"	36.948606
"461557"	330.664806	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M-2H+K"	36.948606
"839360"	134.854006	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-2H+K"	36.948606
"1562848"	134.854006	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+K-2H"	36.948606
"954020"	142.903594	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-H+HCOOH"	44.998194
"365676"	240.809001	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+HCOOH-H"	44.998201
"352840"	254.824651	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+Hac-H"	59.013851
"1500580"	156.919251	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Hac-H"	59.013851
"967027"	164.885551	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-H+NaCOOH"	66.980151
"119212"	132.874802	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+2Cl"	69.938804
"554406"	181.827502	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+2Cl"	69.938804
"1026485"	83.922102	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2Cl"	69.938804
"1241567"	176.824285	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Br"	78.918885
"1304499"	178.880272	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Cl+HCOOH"	80.974872
"1320905"	200.862229	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Cl+NaCOOH"	102.956829
"913058"	210.890986	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M-H+CF3COOH"	112.985586
"1292320"	246.867664	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Cl+CF3COOH"	148.962264
"1368659"	62.892724	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H-2H2O"	-35.012676
"1384332"	80.9027	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H-H2O"	-17.0027
"283777"	196.818076	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+H"	1.007276
"676156"	294.723476	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+H"	1.007276
"1356802"	98.912676	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H"	1.007276
"128230"	98.912676	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+2H"	2.014552
"567790"	147.865376	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+2H"	2.014552
"1038779"	49.959976	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2H"	2.014552
"207404"	66.2775426666667	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+3H"	3.021828
"644775"	98.912676	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+3H"	3.021828
"1166183"	33.6424093333333	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+3H"	3.021828
"424718"	213.844623	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+NH4"	18.033823
"786443"	311.750023	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+NH4"	18.033823
"1682168"	115.939223	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+NH4"	18.033823
"330691"	107.4259495	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+H+NH4"	19.041099
"728224"	156.3786495	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+H+NH4"	19.041099
"1480584"	58.4732495	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H+NH4"	19.041099
"395984"	218.800018	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+Na"	22.989218
"757709"	316.705418	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+Na"	22.989218
"1607630"	120.894618	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Na"	22.989218
"317667"	109.903647	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+H+Na"	23.996494
"711183"	158.856347	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+H+Na"	23.996494
"1468283"	60.950947	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H+Na"	23.996494
"1060434"	40.9697233333333	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2H+Na"	25.00377
"1263206"	130.938886	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+CH3OH+H"	33.033486
"386156"	234.773958	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+K"	38.963158
"751527"	332.679358	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+K"	38.963158
"1550296"	136.868558	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+K"	38.963158
"311848"	117.890617	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+H+K"	39.970434
"693333"	166.843317	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+H+K"	39.970434
"1452621"	68.937917	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H+K"	39.970434
"245597"	237.844626	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+ACN+H"	42.033826
"1213931"	139.939226	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+ACN+H"	42.033826
"1201095"	70.473251	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+ACN+2H"	43.041102
"192143"	240.78196	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+2Na-H"	44.97116
"643017"	338.68736	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+2Na-H"	44.97116
"1144699"	142.87656	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2Na-H"	44.97116
"185805"	120.894618	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+2Na"	45.978436
"626453"	169.847318	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+2Na"	45.978436
"1125587"	71.941918	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2Na"	45.978436
"1402548"	48.2970373333333	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H+2Na"	46.985712
"1437946"	144.918146	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H+HCOOH"	47.012746
"231289"	125.92764	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+3H2O+2H"	56.04448
"1515707"	158.97019	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+IsoProp+H"	61.06479
"416486"	128.881588	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+Na+K"	61.952376
"779669"	177.834288	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+Na+K"	61.952376
"1678555"	79.928888	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Na+K"	61.952376
"265072"	259.826568	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+ACN+Na"	64.015768
"1235229"	161.921168	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+ACN+Na"	64.015768
"1721930"	161.944693	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+NH4+HCOOH"	64.039293
"1191659"	55.6243513333333	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+3Na"	68.967654
"1662284"	166.900088	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Na+HCOOH"	68.994688
"168411"	272.72984	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+2K-H"	76.91904
"607972"	370.63524	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+2K-H"	76.91904
"1095401"	174.82444	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2K-H"	76.91904
"152948"	136.868558	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"2M+2K"	77.926316
"595792"	185.821258	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"3M+2K"	77.926316
"1082127"	87.915858	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2K"	77.926316
"1114607"	176.838992	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2K+H"	78.933592
"1349167"	176.926607	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+DMSO+H"	79.021207
"1010403"	180.965776	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2ACN+H"	83.060376
"1524519"	181.959408	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+IsoProp+Na+H"	84.054008
"991089"	90.986526	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+2ACN+2H"	84.067652
"1587293"	182.874028	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+K+HCOOH"	84.968628
"1417333"	212.905538	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+H+CF3COOH"	115.000138
"1148354"	111.499801	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+3ACN+2H"	125.094202
"1707022"	229.932085	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+NH4+CF3COOH"	132.026685
"1644861"	234.88748	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+Na+CF3COOH"	136.98208
"1585980"	250.86142	"C00150"	"Molybdenum"	"Mo"	"97.9054"	"M+K+CF3COOH"	152.95602
"803224"	132.0535	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M"	0
"974568"	113.03511	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"73752"	87.0283906666667	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"513312"	131.046224	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"886738"	43.0105573333333	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"5314"	131.046224	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"441229"	197.072974	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"825958"	65.019474	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"85950"	263.099724	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"523323"	395.153224	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"901125"	131.046224	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"55500"	280.126271	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"493966"	412.179771	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"871768"	148.072771	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"36754"	285.081666	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"475221"	417.135166	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"854845"	153.028166	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1620370"	153.028166	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"97625"	149.034563	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"539373"	215.061313	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"935073"	83.007813	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"269255"	299.076402	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"667145"	431.129902	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1280642"	167.022902	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"24293"	301.055606	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"459116"	433.109106	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"839473"	169.002106	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1564058"	169.002106	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"950847"	177.051694	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"367971"	309.105201	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"354042"	323.120851	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1496678"	191.067351	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"960208"	199.033651	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"112396"	167.022902	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"552327"	233.049652	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1022218"	100.996152	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1241470"	210.972385	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1304319"	213.028372	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1320115"	235.010329	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"911501"	245.039086	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1292067"	281.015764	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1367149"	97.040824	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1384809"	115.0508	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"284130"	265.114276	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"678377"	397.167776	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1355818"	133.060776	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"127247"	133.060776	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"567174"	199.087526	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1037466"	67.034026	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"204478"	89.0429426666667	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"644440"	133.060776	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1164109"	45.0251093333333	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"425559"	282.140823	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"786558"	414.194323	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1681626"	150.087323	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"331167"	141.5740495	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"726510"	207.6007995	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1477096"	75.5472995	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"398644"	287.096218	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"756722"	419.149718	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1603848"	155.042718	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"318139"	144.051747	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"708494"	210.078497	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1462436"	78.024997	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1059452"	52.3524233333333	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1261132"	165.086986	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"386266"	303.070158	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"743979"	435.123658	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1547125"	171.016658	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"301388"	152.038717	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"693444"	218.065467	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1448358"	86.011967	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"238054"	306.140826	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1211853"	174.087326	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1197928"	87.547301	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"194084"	309.07816	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"642157"	441.13166	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1140071"	177.02466	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"182267"	155.042718	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"620005"	221.069468	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1119133"	89.015968	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1403753"	59.6797373333333	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1439151"	179.066246	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"226660"	160.07574	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1512536"	193.11829	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"416595"	163.029688	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"774310"	229.056438	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1672828"	97.002938	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"258253"	328.122768	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1230964"	196.069268	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1723861"	196.092793	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1190676"	67.0070513333333	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1658377"	201.048188	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"167428"	341.02604	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"610998"	473.07954	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1093687"	208.97254	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"150140"	171.016658	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"592253"	237.043408	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1081873"	104.989908	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1106695"	210.987092	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1336028"	211.074707	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1006137"	215.113876	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1524545"	216.107508	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"990385"	108.060576	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1593975"	217.022128	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1420729"	247.053638	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1152112"	128.573851	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1710416"	264.080185	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1648254"	269.03558	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1582811"	285.00952	"C00152"	"L-Asparagine;2-Aminosuccinamic acid"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"803334"	122.048	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M"	0
"974759"	103.02961	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-H2O-H"	-19.01839
"74955"	80.3580573333333	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M-3H"	-3.021828
"513422"	121.040724	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M-3H"	-3.021828
"885755"	39.6753906666667	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-3H"	-3.021828
"8703"	121.040724	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M-2H"	-2.014552
"443891"	182.064724	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M-2H"	-2.014552
"826068"	60.016724	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-2H"	-2.014552
"86061"	243.088724	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M-H"	-1.007276
"525620"	365.136724	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M-H"	-1.007276
"901236"	121.040724	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-H"	-1.007276
"54517"	260.115271	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M-2H+NH4"	16.019271
"492983"	382.163271	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M-2H+NH4"	16.019271
"874065"	138.067271	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-2H+NH4"	16.019271
"36864"	265.070666	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M-2H+Na"	20.974666
"475330"	387.118666	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M-2H+Na"	20.974666
"850579"	143.022666	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-2H+Na"	20.974666
"1620479"	143.022666	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Na-2H"	20.974666
"96276"	139.029063	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M-H+Cl"	33.962126
"537295"	200.053063	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M-H+Cl"	33.962126
"928620"	78.005063	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-H+Cl"	33.962126
"268636"	279.065402	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+Cl"	34.969402
"666161"	401.113402	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+Cl"	34.969402
"1274555"	157.017402	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Cl"	34.969402
"22216"	281.044606	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M-2H+K"	36.948606
"457405"	403.092606	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M-2H+K"	36.948606
"839583"	158.996606	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-2H+K"	36.948606
"1564168"	158.996606	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+K-2H"	36.948606
"954238"	167.046194	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-H+HCOOH"	44.998194
"366988"	289.094201	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+HCOOH-H"	44.998201
"354152"	303.109851	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+Hac-H"	59.013851
"1497519"	181.061851	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Hac-H"	59.013851
"961411"	189.028151	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-H+NaCOOH"	66.980151
"115422"	157.017402	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+2Cl"	69.938804
"554624"	218.041402	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+2Cl"	69.938804
"1022330"	95.993402	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2Cl"	69.938804
"1241377"	200.966885	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Br"	78.918885
"1304357"	203.022872	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Cl+HCOOH"	80.974872
"1319911"	225.004829	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Cl+NaCOOH"	102.956829
"911817"	235.033586	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M-H+CF3COOH"	112.985586
"1290717"	271.010264	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Cl+CF3COOH"	148.962264
"1367783"	87.035324	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H-2H2O"	-35.012676
"1386012"	105.0453	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H-H2O"	-17.0027
"284970"	245.103276	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+H"	1.007276
"677026"	367.151276	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+H"	1.007276
"1354104"	123.055276	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H"	1.007276
"128816"	123.055276	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+2H"	2.014552
"567648"	184.079276	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+2H"	2.014552
"1038020"	62.031276	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2H"	2.014552
"205681"	82.3726093333333	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+3H"	3.021828
"646329"	123.055276	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+3H"	3.021828
"1164585"	41.6899426666667	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+3H"	3.021828
"425305"	262.129823	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+NH4"	18.033823
"787030"	384.177823	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+NH4"	18.033823
"1681778"	140.081823	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+NH4"	18.033823
"331276"	131.5685495	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+H+NH4"	19.041099
"723820"	192.5925495	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+H+NH4"	19.041099
"1477878"	70.5445495	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H+NH4"	19.041099
"395473"	267.085218	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+Na"	22.989218
"755006"	389.133218	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+Na"	22.989218
"1602979"	145.037218	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Na"	22.989218
"314970"	134.046247	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+H+Na"	23.996494
"708483"	195.070247	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+H+Na"	23.996494
"1461692"	73.022247	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H+Na"	23.996494
"1058469"	49.0172566666667	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2H+Na"	25.00377
"1259420"	155.081486	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+CH3OH+H"	33.033486
"383096"	283.059158	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+K"	38.963158
"741173"	405.107158	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+K"	38.963158
"1546142"	161.011158	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+K"	38.963158
"299309"	142.033217	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+H+K"	39.970434
"693553"	203.057217	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+H+K"	39.970434
"1446280"	81.009217	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H+K"	39.970434
"237071"	286.129826	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+ACN+H"	42.033826
"1213058"	164.081826	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+ACN+H"	42.033826
"1196945"	82.544551	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+ACN+2H"	43.041102
"191279"	289.06716	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+2Na-H"	44.97116
"641413"	411.11516	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+2Na-H"	44.97116
"1140545"	167.01916	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2Na-H"	44.97116
"179461"	145.037218	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+2Na"	45.978436
"620115"	206.061218	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+2Na"	45.978436
"1120339"	84.013218	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2Na"	45.978436
"1403862"	56.3445706666667	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H+2Na"	46.985712
"1439260"	169.060746	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H+HCOOH"	47.012746
"223490"	150.07024	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+3H2O+2H"	56.04448
"1518113"	183.11279	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+IsoProp+H"	61.06479
"416705"	153.024188	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+Na+K"	61.952376
"776605"	214.048188	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+Na+K"	61.952376
"1674033"	92.000188	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Na+K"	61.952376
"258366"	308.111768	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+ACN+Na"	64.015768
"1231075"	186.063768	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+ACN+Na"	64.015768
"1722151"	186.087293	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+NH4+HCOOH"	64.039293
"1184225"	63.6718846666667	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+3Na"	68.967654
"1658488"	191.042688	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Na+HCOOH"	68.994688
"167538"	321.01504	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+2K-H"	76.91904
"604911"	443.06304	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+2K-H"	76.91904
"1093799"	198.96704	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2K-H"	76.91904
"152802"	161.011158	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"2M+2K"	77.926316
"592363"	222.035158	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"3M+2K"	77.926316
"1081253"	99.987158	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2K"	77.926316
"1110087"	200.981592	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2K+H"	78.933592
"1335894"	201.069207	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+DMSO+H"	79.021207
"1006610"	205.108376	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2ACN+H"	83.060376
"1525102"	206.102008	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+IsoProp+Na+H"	84.054008
"990576"	103.057826	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+2ACN+2H"	84.067652
"1594085"	207.016628	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+K+HCOOH"	84.968628
"1417557"	237.048138	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+H+CF3COOH"	115.000138
"1152222"	123.571101	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+3ACN+2H"	125.094202
"1710526"	254.074685	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+NH4+CF3COOH"	132.026685
"1648364"	259.03008	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+Na+CF3COOH"	136.98208
"1582921"	275.00402	"C00153"	"Nicotinamide;Nicotinic acid amide;Niacinamide;Vitamin PP"	"C6H6N2O"	"122.048"	"M+K+CF3COOH"	152.95602
"803444"	1005.3449	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M"	0
"975152"	986.32651	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H2O-H"	-19.01839
"76158"	669.222657333333	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-3H"	-3.021828
"515721"	1004.337624	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-3H"	-3.021828
"891333"	334.107690666667	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-3H"	-3.021828
"6627"	1004.337624	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H"	-2.014552
"448376"	1507.010074	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H"	-2.014552
"826178"	501.665174	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H"	-2.014552
"86172"	2009.682524	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-H"	-1.007276
"530107"	3015.027424	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-H"	-1.007276
"907910"	1004.337624	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H"	-1.007276
"49525"	2026.709071	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H+NH4"	16.019271
"495283"	3032.053971	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H+NH4"	16.019271
"870898"	1021.364171	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H+NH4"	16.019271
"36612"	2031.664466	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H+Na"	20.974666
"473981"	3037.009366	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H+Na"	20.974666
"852150"	1026.319566	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H+Na"	20.974666
"1622413"	1026.319566	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na-2H"	20.974666
"95663"	1022.325963	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-H+Cl"	33.962126
"537408"	1524.998413	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-H+Cl"	33.962126
"932015"	519.653513	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+Cl"	33.962126
"269479"	2045.659202	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Cl"	34.969402
"665179"	3051.004102	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+Cl"	34.969402
"1277586"	1040.314302	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl"	34.969402
"23420"	2047.638406	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H+K"	36.948606
"459702"	3052.983306	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H+K"	36.948606
"839693"	1042.293506	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H+K"	36.948606
"1568654"	1042.293506	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K-2H"	36.948606
"952162"	1050.343094	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+HCOOH"	44.998194
"367098"	2055.688001	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+HCOOH-H"	44.998201
"352076"	2069.703651	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Hac-H"	59.013851
"1496171"	1064.358751	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Hac-H"	59.013851
"961888"	1072.325051	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+NaCOOH"	66.980151
"115168"	1040.314302	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2Cl"	69.938804
"553639"	1542.986752	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2Cl"	69.938804
"1025720"	537.641852	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2Cl"	69.938804
"1243479"	1084.263785	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Br"	78.918885
"1305925"	1086.319772	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl+HCOOH"	80.974872
"1321965"	1108.301729	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl+NaCOOH"	102.956829
"914117"	1118.330486	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+CF3COOH"	112.985586
"1290465"	1154.307164	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl+CF3COOH"	148.962264
"1367895"	970.332224	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H-2H2O"	-35.012676
"1386488"	988.3422	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H-H2O"	-17.0027
"285083"	2011.697076	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H"	1.007276
"677502"	3017.041976	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H"	1.007276
"1353852"	1006.352176	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H"	1.007276
"128561"	1006.352176	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2H"	2.014552
"568122"	1509.024626	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2H"	2.014552
"1038134"	503.679726	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2H"	2.014552
"205427"	671.237209333333	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+3H"	3.021828
"647296"	1006.352176	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+3H"	3.021828
"1165789"	336.122242666667	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+3H"	3.021828
"425182"	2028.723623	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+NH4"	18.033823
"787151"	3034.068523	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+NH4"	18.033823
"1683845"	1023.378723	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+NH4"	18.033823
"331393"	1014.8654495	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H+NH4"	19.041099
"726732"	1517.5378995	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H+NH4"	19.041099
"1479461"	512.1929995	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+NH4"	19.041099
"395586"	2033.679018	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Na"	22.989218
"756581"	3039.023918	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+Na"	22.989218
"1603216"	1028.334118	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na"	22.989218
"314713"	1017.343147	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H+Na"	23.996494
"708959"	1520.015597	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H+Na"	23.996494
"1461438"	514.670697	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+Na"	23.996494
"1054568"	343.449556666667	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2H+Na"	25.00377
"1260258"	1038.378386	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+CH3OH+H"	33.033486
"380653"	2049.652958	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+K"	38.963158
"739581"	3054.997858	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+K"	38.963158
"1548440"	1044.308058	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K"	38.963158
"300149"	1025.330117	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H+K"	39.970434
"692935"	1528.002567	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H+K"	39.970434
"1448578"	522.657667	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+K"	39.970434
"237544"	2052.723626	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+ACN+H"	42.033826
"1213168"	1047.378726	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+ACN+H"	42.033826
"1198151"	524.193001	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+ACN+2H"	43.041102
"193214"	2055.66096	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2Na-H"	44.97116
"639336"	3061.00586	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2Na-H"	44.97116
"1140658"	1050.31606	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2Na-H"	44.97116
"182853"	1028.334118	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2Na"	45.978436
"614759"	1531.006568	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2Na"	45.978436
"1120451"	525.661668	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2Na"	45.978436
"1403976"	350.776870666667	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+2Na"	46.985712
"1439371"	1052.357646	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+HCOOH"	47.012746
"230161"	1033.36714	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+3H2O+2H"	56.04448
"1513851"	1066.40969	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+IsoProp+H"	61.06479
"412444"	1036.321088	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Na+K"	61.952376
"775628"	1538.993538	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+Na+K"	61.952376
"1676332"	533.648638	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na+K"	61.952376
"259574"	2074.705568	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+ACN+Na"	64.015768
"1235562"	1069.360668	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+ACN+Na"	64.015768
"1718981"	1069.384193	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+NH4+HCOOH"	64.039293
"1188708"	358.104184666667	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+3Na"	68.967654
"1659694"	1074.339588	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na+HCOOH"	68.994688
"166558"	2087.60884	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2K-H"	76.91904
"603929"	3092.95374	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2K-H"	76.91904
"1089538"	1082.26394	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2K-H"	76.91904
"152914"	1044.308058	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2K"	77.926316
"593568"	1546.980508	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2K"	77.926316
"1076989"	541.635608	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2K"	77.926316
"1112384"	1084.278492	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2K+H"	78.933592
"1335841"	1084.366107	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+DMSO+H"	79.021207
"1006721"	1088.405276	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2ACN+H"	83.060376
"1527771"	1089.398908	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+IsoProp+Na+H"	84.054008
"995313"	544.706276	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2ACN+2H"	84.067652
"1590915"	1090.313528	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K+HCOOH"	84.968628
"1415235"	1120.345038	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+CF3COOH"	115.000138
"1148199"	565.219551	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+3ACN+2H"	125.094202
"1702977"	1137.371585	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+NH4+CF3COOH"	132.026685
"1645194"	1142.32698	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na+CF3COOH"	136.98208
"1583031"	1158.30092	"C00154"	"Palmitoyl-CoA;Hexadecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K+CF3COOH"	152.95602
"801852"	135.0354	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M"	0
"975259"	116.01701	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-H2O-H"	-19.01839
"64594"	89.016324	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M-3H"	-3.021828
"517856"	134.028124	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M-3H"	-3.021828
"891443"	44.004524	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-3H"	-3.021828
"5644"	134.028124	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M-2H"	-2.014552
"449579"	201.545824	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M-2H"	-2.014552
"827381"	66.510424	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-2H"	-2.014552
"89562"	269.063524	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M-H"	-1.007276
"530215"	404.098924	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M-H"	-1.007276
"908016"	134.028124	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-H"	-1.007276
"50363"	286.090071	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M-2H+NH4"	16.019271
"493206"	421.125471	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M-2H+NH4"	16.019271
"868821"	151.054671	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-2H+NH4"	16.019271
"35259"	291.045466	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M-2H+Na"	20.974666
"475548"	426.080866	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M-2H+Na"	20.974666
"851896"	156.010066	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-2H+Na"	20.974666
"1622523"	156.010066	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Na-2H"	20.974666
"97224"	152.016463	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M-H+Cl"	33.962126
"537519"	219.534163	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M-H+Cl"	33.962126
"933219"	84.498763	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-H+Cl"	33.962126
"269589"	305.040202	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+Cl"	34.969402
"667476"	440.075602	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+Cl"	34.969402
"1278789"	170.004802	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Cl"	34.969402
"24624"	307.019406	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M-2H+K"	36.948606
"460906"	442.054806	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M-2H+K"	36.948606
"839803"	171.984006	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-2H+K"	36.948606
"1569129"	171.984006	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+K-2H"	36.948606
"952272"	180.033594	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-H+HCOOH"	44.998194
"370488"	315.069001	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+HCOOH-H"	44.998201
"355466"	329.084651	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+Hac-H"	59.013851
"1498103"	194.049251	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Hac-H"	59.013851
"966371"	202.015551	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-H+NaCOOH"	66.980151
"115278"	170.004802	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+2Cl"	69.938804
"554843"	237.522502	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+2Cl"	69.938804
"1026923"	102.487102	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2Cl"	69.938804
"1246139"	213.954285	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Br"	78.918885
"1306401"	216.010272	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Cl+HCOOH"	80.974872
"1320616"	237.992229	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Cl+NaCOOH"	102.956829
"913133"	248.020986	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M-H+CF3COOH"	112.985586
"1292760"	283.997664	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Cl+CF3COOH"	148.962264
"1369098"	100.022724	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H-2H2O"	-35.012676
"1385140"	118.0327	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H-H2O"	-17.0027
"286650"	271.078076	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+H"	1.007276
"677612"	406.113476	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+H"	1.007276
"1353596"	136.042676	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H"	1.007276
"130131"	136.042676	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+2H"	2.014552
"570785"	203.560376	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+2H"	2.014552
"1038125"	68.524976	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2H"	2.014552
"206390"	91.030876	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+3H"	3.021828
"645584"	136.042676	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+3H"	3.021828
"1163103"	46.019076	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+3H"	3.021828
"429543"	288.104623	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+NH4"	18.033823
"788354"	423.140023	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+NH4"	18.033823
"1684684"	153.069223	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+NH4"	18.033823
"332232"	144.5559495	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+H+NH4"	19.041099
"726839"	212.0736495	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+H+NH4"	19.041099
"1481390"	77.0382495	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H+NH4"	19.041099
"395694"	293.060018	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+Na"	22.989218
"757055"	428.095418	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+Na"	22.989218
"1604179"	158.024618	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Na"	22.989218
"315063"	147.033647	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+H+Na"	23.996494
"707971"	214.551347	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+H+Na"	23.996494
"1463619"	79.515947	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H+Na"	23.996494
"1053217"	53.34639	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2H+Na"	25.00377
"1258908"	168.068886	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+CH3OH+H"	33.033486
"379305"	309.033958	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+K"	38.963158
"740663"	444.069358	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+K"	38.963158
"1542353"	173.998558	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+K"	38.963158
"300257"	155.020617	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+H+K"	39.970434
"692068"	222.538317	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+H+K"	39.970434
"1446863"	87.502917	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H+K"	39.970434
"236439"	312.104626	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+ACN+H"	42.033826
"1210728"	177.069226	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+ACN+H"	42.033826
"1198261"	89.038251	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+ACN+2H"	43.041102
"195511"	315.04196	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+2Na-H"	44.97116
"640540"	450.07736	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+2Na-H"	44.97116
"1144901"	180.00656	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2Na-H"	44.97116
"181870"	158.024618	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+2Na"	45.978436
"618149"	225.542318	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+2Na"	45.978436
"1123841"	90.506918	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2Na"	45.978436
"1405179"	60.673704	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H+2Na"	46.985712
"1438388"	182.048146	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H+HCOOH"	47.012746
"230271"	163.05764	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+3H2O+2H"	56.04448
"1519428"	196.10019	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+IsoProp+H"	61.06479
"413647"	166.011588	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+Na+K"	61.952376
"779018"	233.529288	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+Na+K"	61.952376
"1676442"	98.493888	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Na+K"	61.952376
"260777"	334.086568	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+ACN+Na"	64.015768
"1234579"	199.051168	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+ACN+Na"	64.015768
"1719092"	199.074693	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+NH4+HCOOH"	64.039293
"1189911"	68.001018	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+3Na"	68.967654
"1659804"	204.030088	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Na+HCOOH"	68.994688
"168855"	346.98984	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+2K-H"	76.91904
"606226"	482.02524	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+2K-H"	76.91904
"1090741"	211.95444	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2K-H"	76.91904
"151930"	173.998558	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"2M+2K"	77.926316
"593678"	241.516258	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"3M+2K"	77.926316
"1077099"	106.480858	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2K"	77.926316
"1113463"	213.968992	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2K+H"	78.933592
"1336236"	214.056607	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+DMSO+H"	79.021207
"1006589"	218.095776	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2ACN+H"	83.060376
"1530067"	219.089408	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+IsoProp+Na+H"	84.054008
"996516"	109.551526	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+2ACN+2H"	84.067652
"1591025"	220.004028	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+K+HCOOH"	84.968628
"1416682"	250.035538	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+H+CF3COOH"	115.000138
"1148795"	130.064801	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+3ACN+2H"	125.094202
"1701994"	267.062085	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+NH4+CF3COOH"	132.026685
"1645304"	272.01748	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+Na+CF3COOH"	136.98208
"1583141"	287.99142	"C00155"	"L-Homocysteine;L-2-Amino-4-mercaptobutyric acid;Homocysteine"	"C4H9NO2S"	"135.0354"	"M+K+CF3COOH"	152.95602
"802570"	138.0317	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M"	0
"975491"	119.01331	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-H2O-H"	-19.01839
"65799"	91.0138573333333	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M-3H"	-3.021828
"514848"	137.024424	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M-3H"	-3.021828
"888273"	45.0032906666667	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-3H"	-3.021828
"3566"	137.024424	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M-2H"	-2.014552
"449689"	206.040274	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M-2H"	-2.014552
"821294"	68.008574	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-2H"	-2.014552
"89672"	275.056124	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M-H"	-1.007276
"530325"	413.087824	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M-H"	-1.007276
"908126"	137.024424	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-H"	-1.007276
"52663"	292.082671	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M-2H+NH4"	16.019271
"494409"	430.114371	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M-2H+NH4"	16.019271
"873305"	154.050971	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-2H+NH4"	16.019271
"36100"	297.038066	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M-2H+Na"	20.974666
"475661"	435.069766	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M-2H+Na"	20.974666
"855286"	159.006366	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-2H+Na"	20.974666
"1622633"	159.006366	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Na-2H"	20.974666
"99161"	155.012763	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M-H+Cl"	33.962126
"539814"	224.028613	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M-H+Cl"	33.962126
"932235"	85.996913	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-H+Cl"	33.962126
"271157"	311.032802	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+Cl"	34.969402
"668680"	449.064502	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+Cl"	34.969402
"1278534"	173.001102	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Cl"	34.969402
"29108"	313.012006	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M-2H+K"	36.948606
"462109"	451.043706	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M-2H+K"	36.948606
"839913"	174.980306	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-2H+K"	36.948606
"1570535"	174.980306	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+K-2H"	36.948606
"957648"	183.029894	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-H+HCOOH"	44.998194
"373878"	321.061601	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+HCOOH-H"	44.998201
"355576"	335.077251	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+Hac-H"	59.013851
"1497483"	197.045551	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Hac-H"	59.013851
"963201"	205.011851	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-H+NaCOOH"	66.980151
"115388"	173.001102	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+2Cl"	69.938804
"560420"	242.016952	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+2Cl"	69.938804
"1029220"	103.985252	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2Cl"	69.938804
"1241996"	216.950585	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Br"	78.918885
"1308700"	219.006572	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Cl+HCOOH"	80.974872
"1324007"	240.988529	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Cl+NaCOOH"	102.956829
"915795"	251.017286	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M-H+CF3COOH"	112.985586
"1292507"	286.993964	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Cl+CF3COOH"	148.962264
"1372491"	103.019024	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H-2H2O"	-35.012676
"1384886"	121.029	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H-H2O"	-17.0027
"287492"	277.070676	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+H"	1.007276
"676997"	415.102376	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+H"	1.007276
"1352249"	139.038976	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H"	1.007276
"127327"	139.038976	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+2H"	2.014552
"570898"	208.054826	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+2H"	2.014552
"1037383"	70.023126	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2H"	2.014552
"205045"	93.0284093333333	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+3H"	3.021828
"647522"	139.038976	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+3H"	3.021828
"1164550"	47.0178426666667	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+3H"	3.021828
"428560"	294.097223	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+NH4"	18.033823
"787371"	432.128923	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+NH4"	18.033823
"1683701"	156.065523	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+NH4"	18.033823
"334165"	147.5522495	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+H+NH4"	19.041099
"726952"	216.5680995	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+H+NH4"	19.041099
"1481500"	78.5363995	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H+NH4"	19.041099
"395439"	299.052618	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+Na"	22.989218
"757894"	437.084318	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+Na"	22.989218
"1603195"	161.020918	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Na"	22.989218
"314929"	150.029947	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+H+Na"	23.996494
"707837"	219.045797	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+H+Na"	23.996494
"1462268"	81.014097	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H+Na"	23.996494
"1053322"	54.3451566666667	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2H+Na"	25.00377
"1258530"	171.065186	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+CH3OH+H"	33.033486
"377223"	315.026558	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+K"	38.963158
"745512"	453.058258	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+K"	38.963158
"1550846"	176.994858	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+K"	38.963158
"300003"	158.016917	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+H+K"	39.970434
"692790"	227.032767	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+H+K"	39.970434
"1448796"	89.001067	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H+K"	39.970434
"240683"	318.097226	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+ACN+H"	42.033826
"1213388"	180.065526	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+ACN+H"	42.033826
"1199464"	90.536401	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+ACN+2H"	43.041102
"195621"	321.03456	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+2Na-H"	44.97116
"641743"	459.06626	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+2Na-H"	44.97116
"1144160"	183.00286	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2Na-H"	44.97116
"181980"	161.020918	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+2Na"	45.978436
"620446"	230.036768	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+2Na"	45.978436
"1123951"	92.005068	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2Na"	45.978436
"1410756"	61.6724706666667	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H+2Na"	46.985712
"1440685"	185.044446	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H+HCOOH"	47.012746
"230381"	166.05394	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+3H2O+2H"	56.04448
"1518446"	199.09649	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+IsoProp+H"	61.06479
"419224"	169.007888	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+Na+K"	61.952376
"778036"	238.023738	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+Na+K"	61.952376
"1676553"	99.992038	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Na+K"	61.952376
"261980"	340.079168	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+ACN+Na"	64.015768
"1235783"	202.047468	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+ACN+Na"	64.015768
"1725762"	202.070993	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+NH4+HCOOH"	64.039293
"1192208"	68.9997846666667	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+3Na"	68.967654
"1661008"	207.026388	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Na+HCOOH"	68.994688
"172370"	352.98244	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+2K-H"	76.91904
"608524"	491.01414	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+2K-H"	76.91904
"1095225"	214.95074	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2K-H"	76.91904
"156172"	176.994858	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"2M+2K"	77.926316
"594761"	246.010708	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"3M+2K"	77.926316
"1081583"	107.979008	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2K"	77.926316
"1113574"	216.965292	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2K+H"	78.933592
"1338411"	217.052907	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+DMSO+H"	79.021207
"1007429"	221.092076	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2ACN+H"	83.060376
"1530177"	222.085708	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+IsoProp+Na+H"	84.054008
"996626"	111.049676	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+2ACN+2H"	84.067652
"1591135"	223.000328	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+K+HCOOH"	84.968628
"1416791"	253.031838	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+H+CF3COOH"	115.000138
"1149998"	131.562951	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+3ACN+2H"	125.094202
"1702104"	270.058385	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+NH4+CF3COOH"	132.026685
"1644321"	275.01378	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+Na+CF3COOH"	136.98208
"1583251"	290.98772	"C00156"	"4-Hydroxybenzoate;Hydroxybenzoic acid;4-Hydroxybenzoic acid;Hydroxybenzenecarboxylic acid"	"C7H6O3"	"138.0317"	"M+K+CF3COOH"	152.95602
"803775"	192.027	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M"	0
"974245"	173.00861	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"78198"	127.010724	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"513865"	191.019724	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"888384"	63.001724	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"12430"	191.019724	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"453082"	287.033224	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"828698"	95.006224	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"91971"	383.046724	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"527155"	575.073724	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"898031"	191.019724	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"52771"	400.073271	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"497796"	592.100271	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"873412"	208.046271	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"40218"	405.028666	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"480872"	597.055666	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"852112"	213.001666	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1620553"	213.001666	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"99269"	209.008063	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"536643"	305.021563	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"929063"	112.994563	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"272361"	419.023402	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"667698"	611.050402	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1283381"	226.996402	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"25937"	421.002606	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"460033"	613.029606	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"842215"	228.975606	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1558411"	228.975606	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"948121"	237.025194	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"363417"	429.052201	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"350217"	443.067851	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1495771"	251.040851	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"962219"	259.007151	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"116598"	226.996402	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"558347"	323.009902	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1024961"	130.982902	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1244903"	270.945885	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1309538"	273.001872	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1324485"	294.983829	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"915910"	305.012586	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1289334"	340.989264	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1370781"	157.014324	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1387184"	175.0243	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"284681"	385.061276	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"677103"	577.088276	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1356368"	193.034276	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H"	1.007276
"131808"	193.034276	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"566991"	289.047776	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1037737"	97.020776	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"205885"	129.025276	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"645450"	193.034276	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1163208"	65.016276	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"426487"	402.087823	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"789668"	594.114823	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1684174"	210.060823	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"335370"	201.5475495	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"725969"	297.5610495	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1481613"	105.5340495	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"394820"	407.043218	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"759100"	599.070218	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1605012"	215.016218	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"315411"	204.025247	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"710019"	300.038747	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1464571"	108.011747	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1053804"	72.34359	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1261682"	225.060486	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"377320"	423.017158	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"738815"	615.044158	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1540505"	230.990158	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+K"	38.963158
"300117"	212.012217	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"693632"	308.025717	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1449640"	115.998717	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"237876"	426.087826	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1215695"	234.060826	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1202863"	117.534051	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"200107"	429.02516	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"639667"	621.05216	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1144267"	236.99816	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"180997"	215.016218	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"622743"	311.029718	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1124062"	119.002718	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1410866"	79.670904	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1436422"	239.039746	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"230491"	220.04924	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1515275"	253.09179	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"417149"	223.003188	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"775230"	319.016688	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1673383"	126.989688	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"259907"	448.069768	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1235895"	256.042768	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1723687"	256.066293	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1192320"	86.998218	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1661121"	261.021688	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"166887"	460.97304	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"608636"	653.00004	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1094241"	268.94604	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"155432"	230.990158	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"595724"	327.003658	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1078407"	134.976658	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1107243"	270.960592	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1339252"	271.048207	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1008512"	275.087376	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1526274"	276.081008	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"994550"	138.047326	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1590513"	276.995628	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1415805"	307.027138	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1162386"	158.560601	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1710607"	324.053685	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1648808"	329.00908	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1583362"	344.98302	"C00158"	"Citrate;Citric acid;2-Hydroxy-123-propanetricarboxylic acid;2-Hydroxytricarballylic acid"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"807165"	180.0634	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M"	0
"974303"	161.04501	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"62881"	119.034990666667	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"502866"	179.056124	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"886304"	59.0138573333333	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"12540"	179.056124	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"451006"	269.087824	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"827715"	89.024424	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"90625"	359.119524	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"530546"	539.182924	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"907253"	179.056124	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"58348"	376.146071	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"489161"	556.209471	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"868056"	196.082671	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"35956"	381.101466	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"475515"	561.164866	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"850402"	201.038066	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1619932"	201.038066	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"95373"	197.044463	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"536753"	287.076163	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"928079"	107.012763	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"268825"	395.096202	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"663433"	575.159602	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1283494"	215.032802	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"17665"	397.075406	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"462332"	577.138806	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"843418"	217.012006	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1559614"	217.012006	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"947135"	225.061594	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"368630"	405.125001	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"349231"	419.140651	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1494181"	239.077251	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"964881"	247.043551	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"115613"	215.032802	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"558457"	305.064502	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1023613"	125.001102	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1246837"	258.982285	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1307826"	261.038272	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1325690"	283.020229	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"915656"	293.048986	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1291632"	329.025664	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1375995"	145.050724	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1389118"	163.0607	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"286617"	361.134076	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"679039"	541.197476	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1353929"	181.070676	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"131556"	181.070676	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"566131"	271.102376	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1037481"	91.038976	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"205995"	121.049542666667	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"646289"	181.070676	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1165507"	61.0284093333333	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"426597"	378.160623	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"789778"	558.224023	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1681979"	198.097223	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"333298"	189.5839495	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"726812"	279.6156495	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1480631"	99.5522495	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"397124"	383.116018	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"758118"	563.179418	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1605364"	203.052618	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"315522"	192.061647	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"710130"	282.093347	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1465042"	102.029947	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1056464"	68.3557233333333	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1258507"	213.096886	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"377441"	399.089958	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"741361"	579.153358	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1541228"	219.026558	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"302050"	200.048617	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"693742"	290.080317	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1447929"	110.016917	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"238720"	402.160626	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1220181"	222.097226	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1206252"	111.552251	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"202040"	405.09796	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"640871"	585.16136	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1142920"	225.03456	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"178920"	203.052618	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"625771"	293.084318	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1128550"	113.020918	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1412071"	75.6830373333333	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1443095"	227.076146	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"230606"	208.08564	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1513202"	241.12819	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"420543"	211.039588	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"779351"	301.071288	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1675684"	121.007888	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"263296"	424.142568	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1232726"	244.079168	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1725985"	244.102693	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1190244"	83.0103513333333	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1655398"	249.058088	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"171249"	437.04584	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"606560"	617.10924	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1096538"	256.98244	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"157030"	219.026558	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"596846"	309.058258	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1079611"	128.994858	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1106259"	258.996992	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1337905"	259.084607	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1010445"	263.123776	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1530398"	264.117408	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"994658"	132.065526	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1592447"	265.032028	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1419197"	295.063538	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1148029"	152.578801	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1710353"	312.090085	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1649648"	317.04548	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1583472"	333.01942	"C00159"	"D-Mannose;Mannose;Seminose;Carubinose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"803995"	76.016	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M"	0
"975699"	56.99761	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-H2O-H"	-19.01839
"63167"	49.6700573333333	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M-3H"	-3.021828
"503069"	75.008724	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M-3H"	-3.021828
"880072"	24.3313906666667	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-3H"	-3.021828
"12650"	75.008724	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M-2H"	-2.014552
"452209"	113.016724	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M-2H"	-2.014552
"827825"	37.000724	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-2H"	-2.014552
"91096"	151.024724	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M-H"	-1.007276
"529562"	227.040724	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M-H"	-1.007276
"908456"	75.008724	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-H"	-1.007276
"58458"	168.051271	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M-2H+NH4"	16.019271
"498017"	244.067271	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M-2H+NH4"	16.019271
"869259"	92.035271	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-2H+NH4"	16.019271
"36065"	173.006666	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M-2H+Na"	20.974666
"475259"	249.022666	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M-2H+Na"	20.974666
"852335"	96.990666	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-2H+Na"	20.974666
"1619679"	96.990666	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Na-2H"	20.974666
"95117"	92.997063	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M-H+Cl"	33.962126
"535769"	131.005063	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M-H+Cl"	33.962126
"929284"	54.989063	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-H+Cl"	33.962126
"270028"	187.001402	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+Cl"	34.969402
"663543"	263.017402	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+Cl"	34.969402
"1281418"	110.985402	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Cl"	34.969402
"18504"	188.980606	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M-2H+K"	36.948606
"461348"	264.996606	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M-2H+K"	36.948606
"840249"	112.964606	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-2H+K"	36.948606
"1558631"	112.964606	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+K-2H"	36.948606
"944692"	121.014194	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-H+HCOOH"	44.998194
"363635"	197.030201	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+HCOOH-H"	44.998201
"348613"	211.045851	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+Hac-H"	59.013851
"1494170"	135.029851	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Hac-H"	59.013851
"964628"	142.996151	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-H+NaCOOH"	66.980151
"116087"	110.985402	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+2Cl"	69.938804
"558931"	148.993402	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+2Cl"	69.938804
"1024452"	72.977402	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2Cl"	69.938804
"1245852"	154.934885	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Br"	78.918885
"1308665"	156.990872	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Cl+HCOOH"	80.974872
"1329080"	178.972829	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Cl+NaCOOH"	102.956829
"917954"	189.001586	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M-H+CF3COOH"	112.985586
"1299035"	224.978264	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Cl+CF3COOH"	148.962264
"1373919"	41.003324	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H-2H2O"	-35.012676
"1390322"	59.0133	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H-H2O"	-17.0027
"286363"	153.039276	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+H"	1.007276
"677692"	229.055276	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+H"	1.007276
"1353313"	77.023276	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H"	1.007276
"133853"	77.023276	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+2H"	2.014552
"566486"	115.031276	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+2H"	2.014552
"1037161"	39.015276	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2H"	2.014552
"205741"	51.6846093333333	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+3H"	3.021828
"647493"	77.023276	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+3H"	3.021828
"1167804"	26.3459426666667	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+3H"	3.021828
"428893"	170.065823	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+NH4"	18.033823
"790981"	246.081823	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+NH4"	18.033823
"1686219"	94.049823	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+NH4"	18.033823
"334501"	85.5365495	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+H+NH4"	19.041099
"725829"	123.5445495	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+H+NH4"	19.041099
"1482926"	47.5285495	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H+NH4"	19.041099
"398326"	175.021218	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+Na"	22.989218
"759321"	251.037218	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+Na"	22.989218
"1603652"	99.005218	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Na"	22.989218
"316728"	88.014247	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+H+Na"	23.996494
"712065"	126.022247	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+H+Na"	23.996494
"1465885"	50.006247	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H+Na"	23.996494
"1056212"	33.6732566666667	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2H+Na"	25.00377
"1261900"	109.049486	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+CH3OH+H"	33.033486
"378651"	190.995158	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+K"	38.963158
"743658"	267.011158	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+K"	38.963158
"1544979"	114.979158	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+K"	38.963158
"301791"	96.001217	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+H+K"	39.970434
"694945"	134.009217	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+H+K"	39.970434
"1449861"	57.993217	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H+K"	39.970434
"241016"	194.065826	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+ACN+H"	42.033826
"1217011"	118.049826	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+ACN+H"	42.033826
"1205269"	59.528551	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+ACN+2H"	43.041102
"200326"	197.00316	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+2Na-H"	44.97116
"637701"	273.01916	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+2Na-H"	44.97116
"1143395"	120.98716	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2Na-H"	44.97116
"179030"	99.005218	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+2Na"	45.978436
"621871"	137.013218	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+2Na"	45.978436
"1124286"	60.997218	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2Na"	45.978436
"1408537"	41.0005706666667	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H+2Na"	46.985712
"1438830"	123.028746	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H+HCOOH"	47.012746
"228525"	104.03824	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+3H2O+2H"	56.04448
"1515497"	137.08079	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+IsoProp+H"	61.06479
"420653"	106.992188	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+Na+K"	61.952376
"773264"	145.000188	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+Na+K"	61.952376
"1675795"	68.984188	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Na+K"	61.952376
"262313"	216.047768	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+ACN+Na"	64.015768
"1235023"	140.031768	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+ACN+Na"	64.015768
"1723908"	140.055293	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+NH4+HCOOH"	64.039293
"1190354"	48.3278846666667	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+3Na"	68.967654
"1658062"	145.010688	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Na+HCOOH"	68.994688
"167107"	228.95104	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+2K-H"	76.91904
"607763"	304.96704	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+2K-H"	76.91904
"1094462"	152.93504	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2K-H"	76.91904
"156381"	114.979158	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"2M+2K"	77.926316
"596064"	152.987158	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"3M+2K"	77.926316
"1079721"	76.971158	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2K"	77.926316
"1112691"	154.949592	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2K+H"	78.933592
"1346034"	155.037207	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+DMSO+H"	79.021207
"1016754"	159.076376	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2ACN+H"	83.060376
"1525883"	160.070008	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+IsoProp+Na+H"	84.054008
"990998"	80.041826	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+2ACN+2H"	84.067652
"1592554"	160.984628	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+K+HCOOH"	84.968628
"1419307"	191.016138	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+H+CF3COOH"	115.000138
"1147894"	100.555101	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+3ACN+2H"	125.094202
"1710097"	208.042685	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+NH4+CF3COOH"	132.026685
"1649029"	212.99808	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+Na+CF3COOH"	136.98208
"1583582"	228.97202	"C00160"	"Glycolate;Glycolic acid;Hydroxyacetic acid"	"C2H4O3"	"76.016"	"M+K+CF3COOH"	152.95602
"804107"	74.0368	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M"	0
"975452"	55.01841	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"65882"	48.3505906666667	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"517357"	73.029524	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"894068"	23.6716573333333	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"11672"	73.029524	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"452323"	110.047924	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"829759"	36.011124	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"89021"	147.066324	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"524207"	221.103124	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"897267"	73.029524	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"49332"	164.092871	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"490106"	238.129671	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"867180"	90.056071	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"35081"	169.048266	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"474275"	243.085066	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"851713"	95.011466	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1620884"	95.011466	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"95594"	91.017863	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"535757"	128.036263	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"928666"	53.999463	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"267956"	183.043002	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"663659"	257.079802	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1276062"	109.006202	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"18627"	185.022206	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"461467"	259.059006	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"842549"	110.985406	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1563848"	110.985406	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"948452"	119.034994	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"363391"	193.071801	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"350552"	207.087451	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1499749"	133.050651	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"963282"	141.016951	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"112920"	109.006202	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"550900"	146.024602	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1022738"	71.987802	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1246331"	152.955685	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1307323"	155.011672	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1325548"	176.993629	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"914786"	187.022386	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1289910"	222.999064	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1367419"	39.024124	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1384596"	57.0341	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"284281"	149.080876	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"676012"	223.117676	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1352566"	75.044076	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"127405"	75.044076	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"569518"	112.062476	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1038323"	38.025676	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"204767"	50.3651426666667	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"645417"	75.044076	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1166824"	25.6862093333333	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"425723"	166.107423	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"791091"	240.144223	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1683049"	92.070623	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"335705"	83.5573495	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"725938"	120.5757495	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1483036"	46.5389495	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"398436"	171.062818	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"761618"	245.099618	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1606436"	97.026018	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"315745"	86.035047	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"713269"	123.053447	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1465996"	49.016647	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1057049"	33.0135233333333	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1260549"	107.070286	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"380590"	187.036758	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"743774"	261.073558	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1543275"	112.999958	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"304101"	94.022017	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"692507"	131.040417	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1448155"	57.003617	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"248796"	190.107426	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1222597"	116.070626	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1206479"	58.538951	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"199347"	193.04476	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"638907"	267.08156	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1140224"	119.00796	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"179140"	97.026018	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"613312"	134.044418	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1116494"	60.007618	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1399655"	40.3408373333333	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1431162"	121.049546	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"226450"	102.05904	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1511233"	135.10159	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"414201"	105.012988	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"770944"	142.031388	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1667518"	67.994588	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"255864"	212.089368	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1228933"	138.052568	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1721827"	138.076093	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1186089"	47.6681513333333	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1659262"	143.031488	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"168309"	224.99264	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"605681"	299.02944	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1094570"	150.95584	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"151388"	112.999958	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"582436"	150.018358	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1071086"	75.981558	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1101009"	152.970392	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1339595"	153.058007	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1009213"	157.097176	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1528430"	158.090808	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"991961"	79.052226	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1594858"	159.005428	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1427816"	189.036938	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1160656"	99.565501	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1710937"	206.063485	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1646952"	211.01888	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1583693"	226.99282	"C00163"	"Propanoate;Propionate;Propanoic acid;Propionic acid"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"807497"	102.0317	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M"	0
"978842"	83.01331	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-H2O-H"	-19.01839
"67085"	67.0138573333333	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M-3H"	-3.021828
"518278"	101.024424	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M-3H"	-3.021828
"894787"	33.0032906666667	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-3H"	-3.021828
"5219"	101.024424	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M-2H"	-2.014552
"455187"	152.040274	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M-2H"	-2.014552
"832056"	50.008574	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-2H"	-2.014552
"90225"	203.056124	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M-H"	-1.007276
"527598"	305.087824	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M-H"	-1.007276
"901023"	101.024424	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-H"	-1.007276
"54306"	220.082671	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M-2H+NH4"	16.019271
"490586"	322.114371	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M-2H+NH4"	16.019271
"872760"	118.050971	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-2H+NH4"	16.019271
"37380"	225.038066	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M-2H+Na"	20.974666
"474388"	327.069766	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M-2H+Na"	20.974666
"851462"	123.006366	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-2H+Na"	20.974666
"1620388"	123.006366	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Na-2H"	20.974666
"96434"	119.012763	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M-H+Cl"	33.962126
"535385"	170.028613	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M-H+Cl"	33.962126
"931694"	67.996913	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-H+Cl"	33.962126
"269160"	239.032802	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+Cl"	34.969402
"663769"	341.064502	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+Cl"	34.969402
"1276172"	137.001102	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Cl"	34.969402
"22018"	241.012006	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M-2H+K"	36.948606
"462670"	343.043706	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M-2H+K"	36.948606
"842658"	138.980306	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-2H+K"	36.948606
"1566144"	138.980306	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+K-2H"	36.948606
"949655"	147.029894	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-H+HCOOH"	44.998194
"367144"	249.061601	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+HCOOH-H"	44.998201
"350298"	263.077251	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+Hac-H"	59.013851
"1500588"	161.045551	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Hac-H"	59.013851
"964485"	169.011851	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-H+NaCOOH"	66.980151
"111571"	137.001102	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+2Cl"	69.938804
"552954"	188.016952	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+2Cl"	69.938804
"1022848"	85.985252	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2Cl"	69.938804
"1243156"	180.950585	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Br"	78.918885
"1305485"	183.006572	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Cl+HCOOH"	80.974872
"1320469"	204.988529	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Cl+NaCOOH"	102.956829
"915260"	215.017286	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M-H+CF3COOH"	112.985586
"1290871"	250.993964	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Cl+CF3COOH"	148.962264
"1368546"	67.019024	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H-2H2O"	-35.012676
"1384098"	85.029	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H-H2O"	-17.0027
"285124"	205.070676	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+H"	1.007276
"675831"	307.102376	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+H"	1.007276
"1351945"	103.038976	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H"	1.007276
"129338"	103.038976	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+2H"	2.014552
"571450"	154.054826	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+2H"	2.014552
"1042442"	52.023126	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2H"	2.014552
"208155"	69.0284093333333	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+3H"	3.021828
"646985"	103.038976	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+3H"	3.021828
"1168027"	35.0178426666667	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+3H"	3.021828
"430206"	222.097223	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+NH4"	18.033823
"789013"	324.128923	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+NH4"	18.033823
"1685345"	120.065523	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+NH4"	18.033823
"335812"	111.5522495	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+H+NH4"	19.041099
"728233"	162.5680995	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+H+NH4"	19.041099
"1483145"	60.5363995	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H+NH4"	19.041099
"399640"	227.052618	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+Na"	22.989218
"762821"	329.084318	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+Na"	22.989218
"1609828"	125.020918	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Na"	22.989218
"323146"	114.029947	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+H+Na"	23.996494
"713379"	165.045797	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+H+Na"	23.996494
"1470480"	63.014097	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H+Na"	23.996494
"1056067"	42.3451566666667	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2H+Na"	25.00377
"1258473"	135.065186	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+CH3OH+H"	33.033486
"382886"	243.026558	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+K"	38.963158
"748257"	345.058258	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+K"	38.963158
"1545938"	140.994858	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+K"	38.963158
"306397"	122.016917	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+H+K"	39.970434
"696627"	173.032767	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+H+K"	39.970434
"1453734"	71.001067	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H+K"	39.970434
"248542"	246.097226	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+ACN+H"	42.033826
"1222343"	144.065526	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+ACN+H"	42.033826
"1204401"	72.536401	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+ACN+2H"	43.041102
"200553"	249.03456	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+2Na-H"	44.97116
"640109"	351.06626	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+2Na-H"	44.97116
"1141427"	147.00286	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2Na-H"	44.97116
"175970"	125.020918	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+2Na"	45.978436
"614436"	176.036768	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+2Na"	45.978436
"1121222"	74.005068	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2Na"	45.978436
"1402560"	49.6724706666667	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H+2Na"	46.985712
"1435769"	149.044446	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H+HCOOH"	47.012746
"220604"	130.05394	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+3H2O+2H"	56.04448
"1509882"	163.09649	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+IsoProp+H"	61.06479
"412124"	133.007888	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+Na+K"	61.952376
"774212"	184.023738	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+Na+K"	61.952376
"1666654"	81.992038	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Na+K"	61.952376
"255973"	268.079168	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+ACN+Na"	64.015768
"1227585"	166.047468	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+ACN+Na"	64.015768
"1715741"	166.070993	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+NH4+HCOOH"	64.039293
"1180730"	56.9997846666667	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+3Na"	68.967654
"1654268"	171.026388	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Na+HCOOH"	68.994688
"166232"	280.98244	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+2K-H"	76.91904
"600323"	383.01414	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+2K-H"	76.91904
"1093585"	178.95074	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2K-H"	76.91904
"149308"	140.994858	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"2M+2K"	77.926316
"582059"	192.010708	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"3M+2K"	77.926316
"1070832"	89.979008	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2K"	77.926316
"1100106"	180.965292	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2K+H"	78.933592
"1339704"	181.052907	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+DMSO+H"	79.021207
"1008598"	185.092076	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2ACN+H"	83.060376
"1528543"	186.085708	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+IsoProp+Na+H"	84.054008
"992803"	93.049676	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+2ACN+2H"	84.067652
"1589495"	187.000328	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+K+HCOOH"	84.968628
"1426834"	217.031838	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+H+CF3COOH"	115.000138
"1159672"	113.562951	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+3ACN+2H"	125.094202
"1708131"	234.058385	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+NH4+CF3COOH"	132.026685
"1648883"	239.01378	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+Na+CF3COOH"	136.98208
"1583803"	254.98772	"C00164"	"Acetoacetate;3-Oxobutanoic acid;beta-Ketobutyric acid;Acetoacetic acid"	"C4H6O3"	"102.0317"	"M+K+CF3COOH"	152.95602
"804328"	164.0473	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M"	0
"984423"	145.02891	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"70478"	108.357590666667	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"518383"	163.040024	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"895263"	53.6751573333333	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"14076"	163.040024	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"453271"	245.063674	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"828157"	81.016374	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"89241"	327.087324	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"530988"	491.134624	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"902228"	163.040024	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"52228"	344.113871	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"496161"	508.161171	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"870683"	180.066571	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"34572"	349.069266	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"474498"	513.116566	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"850482"	185.021966	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1621102"	185.021966	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"99825"	181.028363	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"540479"	263.052013	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"928527"	99.004713	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"276927"	363.064002	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"667161"	527.111302	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1277751"	199.016702	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"17996"	365.043206	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"461687"	529.090506	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"839488"	200.995906	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1564071"	200.995906	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"950133"	209.045494	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"369443"	373.092801	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"351503"	387.108451	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1499609"	223.061151	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"964969"	231.027451	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"114966"	199.016702	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"556717"	281.040352	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1025148"	116.993052	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1249470"	242.966185	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1313013"	245.022172	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1330510"	267.004129	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"913186"	277.032886	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1292810"	313.009564	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1372063"	129.034624	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1382747"	147.0446	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"284507"	329.101876	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"680576"	493.149176	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1360208"	165.054576	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"132002"	165.054576	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"571564"	247.078226	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1042552"	83.030926	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"208265"	110.372142666667	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"647825"	165.054576	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1168137"	55.6897093333333	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"427036"	346.128423	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"793498"	510.175723	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1687642"	182.081123	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"338107"	173.5678495	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"730527"	255.5914995	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1483255"	91.5441995	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"401934"	351.083818	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"764022"	515.131118	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1613214"	187.036518	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"319971"	176.045547	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"710204"	258.069197	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1463052"	94.021897	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1054111"	63.0170233333333	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1265519"	197.080786	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"388101"	367.057758	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"746186"	531.105058	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1548240"	203.010458	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"304320"	184.032517	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"696744"	266.056167	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1456044"	102.008867	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"245738"	370.128426	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1223546"	206.081126	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1206334"	103.544201	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"198473"	373.06576	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"638033"	537.11306	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1132791"	209.01846	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"177173"	187.036518	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"615032"	269.060168	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1121336"	105.012868	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1399023"	70.3443373333333	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1435154"	211.060046	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"225578"	192.06954	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1509386"	225.11209	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"408563"	195.023488	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"773231"	277.047138	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1667008"	112.999838	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"256446"	392.110368	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1227331"	228.063068	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1713539"	228.086593	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1179745"	77.6716513333333	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1651826"	233.041988	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"157957"	405.01364	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"598247"	569.06094	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1084945"	240.96634	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"143222"	203.010458	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"582170"	285.034108	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1069360"	120.986808	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1107805"	242.980892	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1339815"	243.068507	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1009434"	247.107676	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1525370"	248.101308	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"991827"	124.057476	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1601286"	249.015928	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1427307"	279.047438	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1160876"	144.570751	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1712009"	296.073985	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1648630"	301.02938	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1583915"	317.00332	"C00166"	"Phenylpyruvate;Phenylpyruvic acid;alpha-Ketohydrocinnamic acid;keto-Phenylpyruvate;3-Phenyl-2-oxopropanoate;2-Oxo-3-phenylpropanoate"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"804438"	580.0343	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M"	0
"981252"	561.01591	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-H2O-H"	-19.01839
"65120"	385.682257333333	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M-3H"	-3.021828
"515621"	579.027024	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M-3H"	-3.021828
"892329"	192.337490666667	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-3H"	-3.021828
"13095"	579.027024	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H"	-2.014552
"450464"	869.044174	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H"	-2.014552
"826081"	289.009874	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-2H"	-2.014552
"88258"	1159.061324	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M-H"	-1.007276
"530005"	1739.095624	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M-H"	-1.007276
"902338"	579.027024	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-H"	-1.007276
"51245"	1176.087871	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+NH4"	16.019271
"491898"	1756.122171	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+NH4"	16.019271
"872980"	596.053571	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-2H+NH4"	16.019271
"32863"	1181.043266	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+Na"	20.974666
"473151"	1761.077566	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+Na"	20.974666
"849499"	601.008966	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-2H+Na"	20.974666
"1619759"	601.008966	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Na-2H"	20.974666
"99935"	597.015363	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M-H+Cl"	33.962126
"543869"	887.032513	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M-H+Cl"	33.962126
"929730"	306.998213	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-H+Cl"	33.962126
"275944"	1195.038002	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+Cl"	34.969402
"663991"	1775.072302	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+Cl"	34.969402
"1278954"	615.003702	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl"	34.969402
"17013"	1197.017206	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+K"	36.948606
"461797"	1777.051506	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+K"	36.948606
"839598"	616.982906	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-2H+K"	36.948606
"1561994"	616.982906	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+K-2H"	36.948606
"950972"	625.032494	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-H+HCOOH"	44.998194
"369189"	1205.066801	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+HCOOH-H"	44.998201
"351978"	1219.082451	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+Hac-H"	59.013851
"1498626"	639.048151	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Hac-H"	59.013851
"963986"	647.014451	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-H+NaCOOH"	66.980151
"114347"	615.003702	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+2Cl"	69.938804
"554641"	905.020852	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+2Cl"	69.938804
"1025258"	324.986552	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2Cl"	69.938804
"1247394"	658.953185	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Br"	78.918885
"1315311"	661.009172	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+HCOOH"	80.974872
"1328434"	682.991129	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+NaCOOH"	102.956829
"916213"	693.019886	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M-H+CF3COOH"	112.985586
"1291827"	728.996564	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+CF3COOH"	148.962264
"1369621"	545.021624	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H-2H2O"	-35.012676
"1384202"	563.0316	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H-H2O"	-17.0027
"282865"	1161.075876	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+H"	1.007276
"676427"	1741.110176	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+H"	1.007276
"1353757"	581.041576	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H"	1.007276
"125793"	581.041576	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+2H"	2.014552
"569488"	871.058726	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+2H"	2.014552
"1037557"	291.024426	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2H"	2.014552
"206187"	387.696809333333	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+3H"	3.021828
"644407"	581.041576	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+3H"	3.021828
"1167153"	194.352042666667	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+3H"	3.021828
"429332"	1178.102423	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+NH4"	18.033823
"794701"	1758.136723	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+NH4"	18.033823
"1688845"	598.068123	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+NH4"	18.033823
"334937"	589.5548495	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+H+NH4"	19.041099
"729544"	879.5719995	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+H+NH4"	19.041099
"1481180"	299.5376995	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H+NH4"	19.041099
"400952"	1183.057818	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+Na"	22.989218
"760852"	1763.092118	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+Na"	22.989218
"1610045"	603.023518	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Na"	22.989218
"322269"	592.032547	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+H+Na"	23.996494
"713595"	882.049697	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+H+Na"	23.996494
"1461334"	302.015397	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H+Na"	23.996494
"1053369"	201.679356666667	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2H+Na"	25.00377
"1261250"	613.067786	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+CH3OH+H"	33.033486
"384201"	1199.031758	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+K"	38.963158
"746295"	1779.066058	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+K"	38.963158
"1546164"	618.997458	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+K"	38.963158
"306616"	600.019517	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+H+K"	39.970434
"696854"	890.036667	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+H+K"	39.970434
"1460161"	310.002367	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H+K"	39.970434
"249492"	1202.102426	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+ACN+H"	42.033826
"1222563"	622.068126	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+H"	42.033826
"1204622"	311.537701	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+2H"	43.041102
"196397"	1205.03976	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+2Na-H"	44.97116
"637050"	1785.07406	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+2Na-H"	44.97116
"1135088"	625.00546	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2Na-H"	44.97116
"177283"	603.023518	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+2Na"	45.978436
"613806"	893.040668	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+2Na"	45.978436
"1117190"	313.006368	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2Na"	45.978436
"1400713"	209.006670666667	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H+2Na"	46.985712
"1435629"	627.047046	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H+HCOOH"	47.012746
"226782"	608.05654	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+3H2O+2H"	56.04448
"1509741"	641.09909	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+IsoProp+H"	61.06479
"409665"	611.010488	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+Na+K"	61.952376
"776621"	901.027638	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+Na+K"	61.952376
"1667483"	320.993338	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Na+K"	61.952376
"256556"	1224.084368	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+ACN+Na"	64.015768
"1227441"	644.050068	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+Na"	64.015768
"1713000"	644.073593	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+NH4+HCOOH"	64.039293
"1179372"	216.333984666667	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+3Na"	68.967654
"1653760"	649.028988	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Na+HCOOH"	68.994688
"158434"	1236.98764	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+2K-H"	76.91904
"600180"	1817.02194	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+2K-H"	76.91904
"1086150"	656.95334	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2K-H"	76.91904
"142968"	618.997458	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"2M+2K"	77.926316
"582159"	909.014608	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"3M+2K"	77.926316
"1068701"	328.980308	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2K"	77.926316
"1104635"	658.967892	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2K+H"	78.933592
"1338101"	659.055507	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+DMSO+H"	79.021207
"1005935"	663.094676	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2ACN+H"	83.060376
"1524386"	664.088308	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+IsoProp+Na+H"	84.054008
"997404"	332.050976	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+2ACN+2H"	84.067652
"1599569"	665.002928	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+K+HCOOH"	84.968628
"1425230"	695.034438	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+H+CF3COOH"	115.000138
"1162078"	352.564251	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+3ACN+2H"	125.094202
"1709444"	712.060985	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+NH4+CF3COOH"	132.026685
"1649104"	717.01638	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+Na+CF3COOH"	136.98208
"1584025"	732.99032	"C00167"	"UDP-glucuronate;UDPglucuronate;UDP-D-glucuronate;UDP-alpha-D-glucuronate"	"C15H22N2O18P2"	"580.0343"	"M+K+CF3COOH"	152.95602
"807828"	104.011	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M"	0
"981362"	84.99261	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-H2O-H"	-19.01839
"65230"	68.3333906666667	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M-3H"	-3.021828
"517917"	103.003724	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M-3H"	-3.021828
"891344"	33.6630573333333	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-3H"	-3.021828
"14418"	103.003724	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M-2H"	-2.014552
"449479"	155.009224	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M-2H"	-2.014552
"826191"	50.998224	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-2H"	-2.014552
"89827"	207.014724	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M-H"	-1.007276
"528658"	311.025724	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M-H"	-1.007276
"902448"	103.003724	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-H"	-1.007276
"52448"	224.041271	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M-2H+NH4"	16.019271
"492007"	328.052271	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M-2H+NH4"	16.019271
"874183"	120.030271	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-2H+NH4"	16.019271
"32608"	228.996666	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M-2H+Na"	20.974666
"473991"	333.007666	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M-2H+Na"	20.974666
"850702"	124.985666	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-2H+Na"	20.974666
"1620234"	124.985666	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Na-2H"	20.974666
"100045"	120.992063	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M-H+Cl"	33.962126
"543979"	172.997563	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M-H+Cl"	33.962126
"929840"	68.986563	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-H+Cl"	33.962126
"277147"	242.991402	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+Cl"	34.969402
"664101"	347.002402	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+Cl"	34.969402
"1276878"	138.980402	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Cl"	34.969402
"16881"	244.970606	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M-2H+K"	36.948606
"461908"	348.981606	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M-2H+K"	36.948606
"841895"	140.959606	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-2H+K"	36.948606
"1562105"	140.959606	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+K-2H"	36.948606
"948896"	149.009194	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-H+HCOOH"	44.998194
"369300"	253.020201	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+HCOOH-H"	44.998201
"354275"	267.035851	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+Hac-H"	59.013851
"1500922"	163.024851	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Hac-H"	59.013851
"966282"	170.991151	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-H+NaCOOH"	66.980151
"112999"	138.980402	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+2Cl"	69.938804
"555844"	190.985902	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+2Cl"	69.938804
"1025369"	86.974902	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2Cl"	69.938804
"1249691"	182.929885	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Br"	78.918885
"1315421"	184.985872	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Cl+HCOOH"	80.974872
"1331825"	206.967829	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Cl+NaCOOH"	102.956829
"918510"	216.996586	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M-H+CF3COOH"	112.985586
"1293030"	252.973264	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Cl+CF3COOH"	148.962264
"1369367"	68.998324	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H-2H2O"	-35.012676
"1388687"	87.0083	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H-H2O"	-17.0027
"283999"	209.029276	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+H"	1.007276
"677147"	313.040276	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+H"	1.007276
"1357145"	105.018276	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H"	1.007276
"127118"	105.018276	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+2H"	2.014552
"567411"	157.023776	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+2H"	2.014552
"1039855"	53.012776	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2H"	2.014552
"207391"	70.3479426666667	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+3H"	3.021828
"648045"	105.018276	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+3H"	3.021828
"1167264"	35.6776093333333	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+3H"	3.021828
"427256"	226.055823	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+NH4"	18.033823
"792624"	330.066823	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+NH4"	18.033823
"1688955"	122.044823	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+NH4"	18.033823
"338328"	113.5315495	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+H+NH4"	19.041099
"728562"	165.5370495	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+H+NH4"	19.041099
"1481290"	61.5260495	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H+NH4"	19.041099
"398874"	231.011218	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+Na"	22.989218
"757682"	335.022218	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+Na"	22.989218
"1606875"	127.000218	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Na"	22.989218
"316911"	116.009247	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+H+Na"	23.996494
"713705"	168.014747	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+H+Na"	23.996494
"1461933"	64.003747	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H+Na"	23.996494
"1054328"	43.0049233333333	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2H+Na"	25.00377
"1261360"	137.044486	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+CH3OH+H"	33.033486
"385402"	246.985158	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+K"	38.963158
"745311"	350.996158	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+K"	38.963158
"1548456"	142.974158	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+K"	38.963158
"305632"	123.996217	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+H+K"	39.970434
"698057"	176.001717	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+H+K"	39.970434
"1456255"	71.990717	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H+K"	39.970434
"245953"	250.055826	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+ACN+H"	42.033826
"1221941"	146.044826	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+ACN+H"	42.033826
"1204365"	73.526051	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+ACN+2H"	43.041102
"196507"	252.99316	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+2Na-H"	44.97116
"634973"	357.00416	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+2Na-H"	44.97116
"1135198"	148.98216	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2Na-H"	44.97116
"176420"	127.000218	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+2Na"	45.978436
"614888"	179.005718	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+2Na"	45.978436
"1116160"	74.994718	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2Na"	45.978436
"1398837"	50.3322373333333	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H+2Na"	46.985712
"1433188"	151.023746	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H+HCOOH"	47.012746
"226892"	132.03324	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+3H2O+2H"	56.04448
"1509487"	165.07579	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+IsoProp+H"	61.06479
"408597"	134.987188	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+Na+K"	61.952376
"772354"	186.992688	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+Na+K"	61.952376
"1666135"	82.981688	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Na+K"	61.952376
"256302"	272.037768	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+ACN+Na"	64.015768
"1227551"	168.026768	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+ACN+Na"	64.015768
"1712783"	168.050293	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+NH4+HCOOH"	64.039293
"1179724"	57.6595513333333	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+3Na"	68.967654
"1652776"	173.005688	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Na+HCOOH"	68.994688
"157448"	284.94104	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+2K-H"	76.91904
"599925"	388.95204	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+2K-H"	76.91904
"1086626"	180.93004	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2K-H"	76.91904
"141899"	142.974158	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"2M+2K"	77.926316
"583242"	194.979658	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"3M+2K"	77.926316
"1068691"	90.968658	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2K"	77.926316
"1104745"	182.944592	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2K+H"	78.933592
"1338211"	183.032207	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+DMSO+H"	79.021207
"1006372"	187.071376	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2ACN+H"	83.060376
"1525956"	188.065008	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+IsoProp+Na+H"	84.054008
"996421"	94.039326	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+2ACN+2H"	84.067652
"1600773"	188.979628	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+K+HCOOH"	84.968628
"1426434"	219.011138	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+H+CF3COOH"	115.000138
"1161096"	114.552601	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+3ACN+2H"	125.094202
"1712228"	236.037685	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+NH4+CF3COOH"	132.026685
"1649576"	240.99308	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+Na+CF3COOH"	136.98208
"1584135"	256.96702	"C00168"	"Hydroxypyruvate;Hydroxypyruvic acid;3-Hydroxypyruvate;3-Hydroxypyruvic acid"	"C3H4O4"	"104.011"	"M+K+CF3COOH"	152.95602
"807938"	140.9827	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M"	0
"981472"	121.96431	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-H2O-H"	-19.01839
"64368"	92.9811906666666	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M-3H"	-3.021828
"517908"	139.975424	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M-3H"	-3.021828
"894372"	45.9869573333333	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-3H"	-3.021828
"14406"	139.975424	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M-2H"	-2.014552
"449590"	210.466774	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M-2H"	-2.014552
"828487"	69.484074	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-2H"	-2.014552
"90301"	280.958124	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M-H"	-1.007276
"528037"	421.940824	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M-H"	-1.007276
"905838"	139.975424	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-H"	-1.007276
"59118"	297.984671	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M-2H+NH4"	16.019271
"499412"	438.967371	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M-2H+NH4"	16.019271
"876481"	157.001971	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-2H+NH4"	16.019271
"37821"	302.940066	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M-2H+Na"	20.974666
"476287"	443.922766	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M-2H+Na"	20.974666
"851905"	161.957366	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-2H+Na"	20.974666
"1623626"	161.957366	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Na-2H"	20.974666
"100155"	157.963763	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M-H+Cl"	33.962126
"540809"	228.455113	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M-H+Cl"	33.962126
"937603"	87.472413	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-H+Cl"	33.962126
"278350"	316.934802	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+Cl"	34.969402
"672597"	457.917502	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+Cl"	34.969402
"1276623"	175.952102	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Cl"	34.969402
"17355"	318.914006	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M-2H+K"	36.948606
"456547"	459.896706	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M-2H+K"	36.948606
"842005"	177.931306	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-2H+K"	36.948606
"1558934"	177.931306	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+K-2H"	36.948606
"949006"	185.980894	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-H+HCOOH"	44.998194
"371598"	326.963601	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+HCOOH-H"	44.998201
"354387"	340.979251	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+Hac-H"	59.013851
"1498846"	199.996551	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Hac-H"	59.013851
"967490"	207.962851	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-H+NaCOOH"	66.980151
"115302"	175.952102	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+2Cl"	69.938804
"558143"	246.443452	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+2Cl"	69.938804
"1028035"	105.460752	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2Cl"	69.938804
"1249801"	219.901585	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Br"	78.918885
"1315900"	221.957572	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Cl+HCOOH"	80.974872
"1331572"	243.939529	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Cl+NaCOOH"	102.956829
"919715"	253.968286	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M-H+CF3COOH"	112.985586
"1299340"	289.944964	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Cl+CF3COOH"	148.962264
"1372397"	105.970024	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H-2H2O"	-35.012676
"1394265"	123.98	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H-H2O"	-17.0027
"283382"	282.972676	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+H"	1.007276
"685278"	423.955376	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+H"	1.007276
"1362723"	141.989976	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H"	1.007276
"126741"	141.989976	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+2H"	2.014552
"568617"	212.481326	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+2H"	2.014552
"1041059"	71.498626	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2H"	2.014552
"207869"	94.9957426666667	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+3H"	3.021828
"650344"	141.989976	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+3H"	3.021828
"1168468"	48.0015093333333	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+3H"	3.021828
"429554"	299.999223	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+NH4"	18.033823
"790552"	440.981923	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+NH4"	18.033823
"1686882"	159.016523	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+NH4"	18.033823
"335161"	150.5032495	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+H+NH4"	19.041099
"729769"	220.9945995	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+H+NH4"	19.041099
"1485777"	80.0118995	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H+NH4"	19.041099
"406281"	304.954618	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+Na"	22.989218
"766546"	445.937318	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+Na"	22.989218
"1611364"	163.971918	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Na"	22.989218
"327963"	152.980947	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+H+Na"	23.996494
"717467"	223.472297	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+H+Na"	23.996494
"1467636"	82.489597	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H+Na"	23.996494
"1056508"	55.3288233333333	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2H+Na"	25.00377
"1262563"	174.016186	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+CH3OH+H"	33.033486
"385512"	320.928558	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+K"	38.963158
"746514"	461.911258	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+K"	38.963158
"1550750"	179.945858	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+K"	38.963158
"306835"	160.967917	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+H+K"	39.970434
"697073"	231.459267	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+H+K"	39.970434
"1457461"	90.476567	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H+K"	39.970434
"246063"	323.999226	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+ACN+H"	42.033826
"1221322"	183.016526	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+ACN+H"	42.033826
"1205571"	92.011901	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+ACN+2H"	43.041102
"198804"	326.93656	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+2Na-H"	44.97116
"639095"	467.91926	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+2Na-H"	44.97116
"1139683"	185.95386	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2Na-H"	44.97116
"182973"	163.971918	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+2Na"	45.978436
"623992"	234.463268	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+2Na"	45.978436
"1126041"	93.480568	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2Na"	45.978436
"1407376"	62.6561373333333	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H+2Na"	46.985712
"1440589"	187.995446	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H+HCOOH"	47.012746
"229190"	169.00494	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+3H2O+2H"	56.04448
"1521627"	202.04749	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+IsoProp+H"	61.06479
"421314"	171.958888	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+Na+K"	61.952376
"781217"	242.450238	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+Na+K"	61.952376
"1676454"	101.467538	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Na+K"	61.952376
"261880"	345.981168	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+ACN+Na"	64.015768
"1235683"	204.998468	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+ACN+Na"	64.015768
"1719100"	205.021993	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+NH4+HCOOH"	64.039293
"1184455"	69.9834513333333	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+3Na"	68.967654
"1653253"	209.977388	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Na+HCOOH"	68.994688
"163394"	358.88444	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+2K-H"	76.91904
"604048"	499.86714	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+2K-H"	76.91904
"1090748"	217.90174	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2K-H"	76.91904
"146467"	179.945858	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"2M+2K"	77.926316
"587122"	250.437208	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"3M+2K"	77.926316
"1071637"	109.454508	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2K"	77.926316
"1103758"	219.916292	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2K+H"	78.933592
"1339046"	220.003907	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+DMSO+H"	79.021207
"1007209"	224.043076	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2ACN+H"	83.060376
"1527159"	225.036708	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+IsoProp+Na+H"	84.054008
"996531"	112.525176	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+2ACN+2H"	84.067652
"1597603"	225.951328	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+K+HCOOH"	84.968628
"1424354"	255.982838	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+H+CF3COOH"	115.000138
"1154641"	133.038451	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+3ACN+2H"	125.094202
"1710755"	273.009385	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+NH4+CF3COOH"	132.026685
"1643125"	277.96478	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+Na+CF3COOH"	136.98208
"1584245"	293.93872	"C00169"	"Carbamoyl phosphate"	"CH4NO5P"	"140.9827"	"M+K+CF3COOH"	152.95602
"804768"	297.0896	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M"	0
"981582"	278.07121	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-H2O-H"	-19.01839
"63745"	197.052457333333	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M-3H"	-3.021828
"508292"	296.082324	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M-3H"	-3.021828
"892659"	98.0225906666667	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-3H"	-3.021828
"11234"	296.082324	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M-2H"	-2.014552
"450793"	444.627124	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M-2H"	-2.014552
"824220"	147.537524	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-2H"	-2.014552
"90772"	593.171924	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M-H"	-1.007276
"524866"	890.261524	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M-H"	-1.007276
"902667"	296.082324	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-H"	-1.007276
"54854"	610.198471	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M-2H+NH4"	16.019271
"495509"	907.288071	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M-2H+NH4"	16.019271
"873310"	313.108871	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-2H+NH4"	16.019271
"37930"	615.153866	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M-2H+Na"	20.974666
"477490"	912.243466	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M-2H+Na"	20.974666
"852015"	318.064266	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-2H+Na"	20.974666
"1623736"	318.064266	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Na-2H"	20.974666
"103545"	314.070663	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M-H+Cl"	33.962126
"544199"	462.615463	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M-H+Cl"	33.962126
"940629"	165.525863	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-H+Cl"	33.962126
"277367"	629.148602	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+Cl"	34.969402
"672706"	926.238202	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+Cl"	34.969402
"1277098"	332.059002	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Cl"	34.969402
"17829"	631.127806	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M-2H+K"	36.948606
"456660"	928.217406	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M-2H+K"	36.948606
"838836"	334.038206	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-2H+K"	36.948606
"1560138"	334.038206	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+K-2H"	36.948606
"950209"	342.087794	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-H+HCOOH"	44.998194
"371709"	639.177401	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+HCOOH-H"	44.998201
"354862"	653.193051	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+Hac-H"	59.013851
"1502600"	356.103451	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Hac-H"	59.013851
"967598"	364.069751	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-H+NaCOOH"	66.980151
"116506"	332.059002	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+2Cl"	69.938804
"557160"	480.603802	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+2Cl"	69.938804
"1028145"	183.514202	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2Cl"	69.938804
"1248818"	376.008485	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Br"	78.918885
"1315644"	378.064472	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Cl+HCOOH"	80.974872
"1334597"	400.046429	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Cl+NaCOOH"	102.956829
"925292"	410.075186	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M-H+CF3COOH"	112.985586
"1299814"	446.051864	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Cl+CF3COOH"	148.962264
"1372507"	262.076924	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H-2H2O"	-35.012676
"1397656"	280.0869	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H-H2O"	-17.0027
"284220"	595.186476	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+H"	1.007276
"688668"	892.276076	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+H"	1.007276
"1360647"	298.096876	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H"	1.007276
"125877"	298.096876	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+2H"	2.014552
"572008"	446.641676	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+2H"	2.014552
"1040807"	149.552076	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2H"	2.014552
"207612"	199.067009333333	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+3H"	3.021828
"650453"	298.096876	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+3H"	3.021828
"1168578"	100.037142666667	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+3H"	3.021828
"428570"	612.213023	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+NH4"	18.033823
"790658"	909.302623	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+NH4"	18.033823
"1684802"	315.123423	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+NH4"	18.033823
"334173"	306.6101495	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+H+NH4"	19.041099
"730968"	455.1549495	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+H+NH4"	19.041099
"1486975"	158.0653495	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H+NH4"	19.041099
"399095"	617.168418	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+Na"	22.989218
"760090"	914.258018	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+Na"	22.989218
"1607094"	320.078818	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Na"	22.989218
"321505"	309.087847	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+H+Na"	23.996494
"712832"	457.632647	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+H+Na"	23.996494
"1465560"	160.543047	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H+Na"	23.996494
"1063181"	107.364456666667	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2H+Na"	25.00377
"1261579"	330.123086	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+CH3OH+H"	33.033486
"381249"	633.142358	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+K"	38.963158
"745531"	930.231958	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+K"	38.963158
"1546491"	336.052758	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+K"	38.963158
"306946"	317.074817	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+H+K"	39.970434
"699368"	465.619617	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+H+K"	39.970434
"1459392"	168.530017	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H+K"	39.970434
"247267"	636.213026	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+ACN+H"	42.033826
"1221797"	339.123426	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+ACN+H"	42.033826
"1203860"	170.065351	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+ACN+2H"	43.041102
"194541"	639.15036	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+2Na-H"	44.97116
"634101"	936.23996	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+2Na-H"	44.97116
"1135419"	342.06076	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2Na-H"	44.97116
"178708"	320.078818	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+2Na"	45.978436
"621552"	468.623618	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+2Na"	45.978436
"1126150"	171.534018	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2Na"	45.978436
"1406392"	114.691770666667	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H+2Na"	46.985712
"1435231"	344.102346	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H+HCOOH"	47.012746
"231125"	325.11184	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+3H2O+2H"	56.04448
"1517363"	358.15439	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+IsoProp+H"	61.06479
"418143"	328.065788	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+Na+K"	61.952376
"779138"	476.610588	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+Na+K"	61.952376
"1672192"	179.520988	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Na+K"	61.952376
"257617"	658.194968	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+ACN+Na"	64.015768
"1229231"	361.105368	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+ACN+Na"	64.015768
"1719210"	361.128893	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+NH4+HCOOH"	64.039293
"1182378"	122.019084666667	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+3Na"	68.967654
"1652271"	366.084288	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Na+HCOOH"	68.994688
"163505"	671.09824	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+2K-H"	76.91904
"601971"	968.18784	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+2K-H"	76.91904
"1085388"	374.00864	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2K-H"	76.91904
"144390"	336.052758	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"2M+2K"	77.926316
"583222"	484.597558	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"3M+2K"	77.926316
"1070651"	187.507958	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2K"	77.926316
"1101312"	376.023192	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2K+H"	78.933592
"1337334"	376.110807	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+DMSO+H"	79.021207
"1006593"	380.149976	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2ACN+H"	83.060376
"1528003"	381.143608	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+IsoProp+Na+H"	84.054008
"996641"	190.578626	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+2ACN+2H"	84.067652
"1598806"	382.058228	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+K+HCOOH"	84.968628
"1424464"	412.089738	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+H+CF3COOH"	115.000138
"1154751"	211.091901	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+3ACN+2H"	125.094202
"1708676"	429.116285	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+NH4+CF3COOH"	132.026685
"1643235"	434.07168	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+Na+CF3COOH"	136.98208
"1584355"	450.04562	"C00170"	"5-Methylthioadenosine;Methylthioadenosine;S-Methyl-5-thioadenosine;5-Methylthioadenosine;5-Deoxy-5-(methylthio)adenosine;Thiomethyladenosine;MTA"	"C11H15N5O3S"	"297.0896"	"M+K+CF3COOH"	152.95602
"813630"	58.9332	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M"	0
"984978"	39.91481	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-H2O-H"	-19.01839
"71033"	38.281524	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M-3H"	-3.021828
"517154"	57.925924	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M-3H"	-3.021828
"893500"	18.637124	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-3H"	-3.021828
"12438"	57.925924	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M-2H"	-2.014552
"451999"	87.392524	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M-2H"	-2.014552
"828705"	28.459324	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-2H"	-2.014552
"83234"	116.859124	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M-H"	-1.007276
"521699"	175.792324	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M-H"	-1.007276
"899503"	57.925924	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-H"	-1.007276
"48653"	133.885671	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M-2H+NH4"	16.019271
"488454"	192.818871	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M-2H+NH4"	16.019271
"873427"	74.952471	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-2H+NH4"	16.019271
"36953"	138.841066	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M-2H+Na"	20.974666
"481982"	197.774266	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M-2H+Na"	20.974666
"858691"	79.907866	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-2H+Na"	20.974666
"1627133"	79.907866	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Na-2H"	20.974666
"103662"	75.914263	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M-H+Cl"	33.962126
"541039"	105.380863	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M-H+Cl"	33.962126
"929086"	46.447663	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-H+Cl"	33.962126
"269832"	152.835802	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+Cl"	34.969402
"668815"	211.769002	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+Cl"	34.969402
"1280123"	93.902602	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Cl"	34.969402
"20494"	154.815006	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M-2H+K"	36.948606
"470996"	213.748206	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M-2H+K"	36.948606
"847337"	95.881806	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-2H+K"	36.948606
"1569373"	95.881806	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+K-2H"	36.948606
"951420"	103.931394	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-H+HCOOH"	44.998194
"368545"	162.864601	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+HCOOH-H"	44.998201
"356442"	176.880251	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+Hac-H"	59.013851
"1504911"	117.947051	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Hac-H"	59.013851
"968806"	125.913351	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-H+NaCOOH"	66.980151
"119901"	93.902602	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+2Cl"	69.938804
"555087"	123.369202	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+2Cl"	69.938804
"1028261"	64.436002	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2Cl"	69.938804
"1251120"	137.852085	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Br"	78.918885
"1315755"	139.908072	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Cl+HCOOH"	80.974872
"1329970"	161.890029	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Cl+NaCOOH"	102.956829
"924309"	171.918786	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M-H+CF3COOH"	112.985586
"1293362"	207.895464	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Cl+CF3COOH"	148.962264
"1378085"	23.920524	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H-2H2O"	-35.012676
"1383552"	41.9305	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H-H2O"	-17.0027
"289802"	118.873676	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+H"	1.007276
"689520"	177.806876	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+H"	1.007276
"1362952"	59.940476	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H"	1.007276
"133653"	59.940476	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+2H"	2.014552
"568836"	89.407076	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+2H"	2.014552
"1040915"	30.473876	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2H"	2.014552
"209909"	40.296076	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+3H"	3.021828
"653843"	59.940476	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+3H"	3.021828
"1166502"	20.651676	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+3H"	3.021828
"427586"	135.900223	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+NH4"	18.033823
"786758"	194.833423	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+NH4"	18.033823
"1687098"	76.967023	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+NH4"	18.033823
"334283"	68.4537495	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+H+NH4"	19.041099
"727798"	97.9203495	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+H+NH4"	19.041099
"1482712"	38.9871495	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H+NH4"	19.041099
"397017"	140.855618	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+Na"	22.989218
"756189"	199.788818	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+Na"	22.989218
"1609392"	81.922418	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Na"	22.989218
"319432"	70.931447	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+H+Na"	23.996494
"718424"	100.398047	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+H+Na"	23.996494
"1474432"	41.464847	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H+Na"	23.996494
"1068090"	27.97899	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2H+Na"	25.00377
"1268263"	91.966686	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+CH3OH+H"	33.033486
"386838"	156.829558	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+K"	38.963158
"745645"	215.762758	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+K"	38.963158
"1553168"	97.896358	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+K"	38.963158
"312899"	78.918417	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+H+K"	39.970434
"704228"	108.385017	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+H+K"	39.970434
"1457683"	49.451817	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H+K"	39.970434
"247378"	159.900226	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+ACN+H"	42.033826
"1222635"	100.967026	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+ACN+H"	42.033826
"1206155"	50.987151	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+ACN+2H"	43.041102
"195746"	162.83756	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+2Na-H"	44.97116
"636399"	221.77076	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+2Na-H"	44.97116
"1138810"	103.90436	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2Na-H"	44.97116
"182103"	81.922418	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+2Na"	45.978436
"622759"	111.389018	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+2Na"	45.978436
"1125903"	52.455818	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2Na"	45.978436
"1405414"	35.306304	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H+2Na"	46.985712
"1437529"	105.945946	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H+HCOOH"	47.012746
"226130"	86.95544	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+3H2O+2H"	56.04448
"1517476"	119.99799	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+IsoProp+H"	61.06479
"411695"	89.909388	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+Na+K"	61.952376
"772690"	119.375988	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+Na+K"	61.952376
"1669021"	60.442788	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Na+K"	61.952376
"254447"	181.882168	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+ACN+Na"	64.015768
"1228250"	122.948968	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+ACN+Na"	64.015768
"1713971"	122.972493	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+NH4+HCOOH"	64.039293
"1178803"	42.633618	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+3Na"	68.967654
"1650920"	127.927888	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Na+HCOOH"	68.994688
"160329"	194.78544	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+2K-H"	76.91904
"600617"	253.71864	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+2K-H"	76.91904
"1085871"	135.85224	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2K-H"	76.91904
"143411"	97.896358	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"2M+2K"	77.926316
"584432"	127.362958	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"3M+2K"	77.926316
"1070280"	68.429758	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2K"	77.926316
"1102518"	137.866792	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2K+H"	78.933592
"1341464"	137.954407	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+DMSO+H"	79.021207
"1011093"	141.993576	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2ACN+H"	83.060376
"1532500"	142.987208	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+IsoProp+Na+H"	84.054008
"996760"	71.500426	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+2ACN+2H"	84.067652
"1598916"	143.901828	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+K+HCOOH"	84.968628
"1416923"	173.933338	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+H+CF3COOH"	115.000138
"1150492"	92.013701	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+3ACN+2H"	125.094202
"1698948"	190.959885	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+NH4+CF3COOH"	132.026685
"1637881"	195.91528	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+Na+CF3COOH"	136.98208
"1584468"	211.88922	"C00175"	"Cobalt ion;Cobalt(2);Co2;Co(II)"	"Co"	"58.9332"	"M+K+CF3COOH"	152.95602
"814834"	26.0031	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M"	0
"986182"	6.98471	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-H2O-H"	-19.01839
"77704"	16.328124	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M-3H"	-3.021828
"517995"	24.995824	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M-3H"	-3.021828
"888504"	7.660424	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-3H"	-3.021828
"13640"	24.995824	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M-2H"	-2.014552
"452108"	37.997374	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M-2H"	-2.014552
"828815"	11.994274	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-2H"	-2.014552
"89901"	50.998924	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M-H"	-1.007276
"525088"	77.002024	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M-H"	-1.007276
"897423"	24.995824	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-H"	-1.007276
"55081"	68.025471	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M-2H+NH4"	16.019271
"492455"	94.028571	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M-2H+NH4"	16.019271
"868067"	42.022371	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-2H+NH4"	16.019271
"37061"	72.980866	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M-2H+Na"	20.974666
"482091"	98.983966	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M-2H+Na"	20.974666
"859533"	46.977766	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-2H+Na"	20.974666
"1627243"	46.977766	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Na-2H"	20.974666
"101589"	42.984163	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M-H+Cl"	33.962126
"542243"	55.985713	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M-H+Cl"	33.962126
"931385"	29.982613	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-H+Cl"	33.962126
"275410"	86.975602	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+Cl"	34.969402
"668925"	112.978702	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+Cl"	34.969402
"1273300"	60.972502	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Cl"	34.969402
"21697"	88.954806	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M-2H+K"	36.948606
"470375"	114.957906	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M-2H+K"	36.948606
"842344"	62.951706	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-2H+K"	36.948606
"1564741"	62.951706	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+K-2H"	36.948606
"954811"	71.001294	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-H+HCOOH"	44.998194
"368653"	97.004401	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+HCOOH-H"	44.998201
"349254"	111.020051	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+Hac-H"	59.013851
"1504290"	85.016951	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Hac-H"	59.013851
"969645"	92.983251	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-H+NaCOOH"	66.980151
"122562"	60.972502	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+2Cl"	69.938804
"557385"	73.974052	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+2Cl"	69.938804
"1031650"	47.970952	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2Cl"	69.938804
"1253415"	104.921985	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Br"	78.918885
"1319472"	106.977972	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Cl+HCOOH"	80.974872
"1332266"	128.959929	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Cl+NaCOOH"	102.956829
"922232"	138.988686	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M-H+CF3COOH"	112.985586
"1298940"	174.965364	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Cl+CF3COOH"	148.962264
"1378195"	-9.009576	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H-2H2O"	-35.012676
"1385851"	9.0004	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H-H2O"	-17.0027
"293194"	53.013476	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+H"	1.007276
"691049"	79.016576	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+H"	1.007276
"1365250"	27.010376	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H"	1.007276
"138138"	27.010376	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+2H"	2.014552
"568946"	40.011926	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+2H"	2.014552
"1042119"	14.008826	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2H"	2.014552
"210019"	18.342676	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+3H"	3.021828
"652860"	27.010376	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+3H"	3.021828
"1169891"	9.674976	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+3H"	3.021828
"428790"	70.040023	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+NH4"	18.033823
"787597"	96.043123	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+NH4"	18.033823
"1683928"	44.036923	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+NH4"	18.033823
"334393"	35.5236495	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+H+NH4"	19.041099
"727908"	48.5251995	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+H+NH4"	19.041099
"1482822"	22.5220995	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H+NH4"	19.041099
"402595"	74.995418	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+Na"	22.989218
"755935"	100.998518	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+Na"	22.989218
"1610601"	48.992318	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Na"	22.989218
"320635"	38.001347	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+H+Na"	23.996494
"718534"	51.002897	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+H+Na"	23.996494
"1466887"	24.999797	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H+Na"	23.996494
"1056851"	17.00229	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2H+Na"	25.00377
"1268009"	59.036586	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+CH3OH+H"	33.033486
"380385"	90.969358	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+K"	38.963158
"749039"	116.972458	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+K"	38.963158
"1553281"	64.966258	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+K"	38.963158
"312282"	45.988317	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+H+K"	39.970434
"703972"	58.989867	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+H+K"	39.970434
"1457793"	32.986767	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H+K"	39.970434
"245302"	94.040026	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+ACN+H"	42.033826
"1218007"	68.036926	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+ACN+H"	42.033826
"1206265"	34.522101	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+ACN+2H"	43.041102
"199137"	96.97736	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+2Na-H"	44.97116
"636509"	122.98046	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+2Na-H"	44.97116
"1140015"	70.97426	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2Na-H"	44.97116
"185493"	48.992318	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+2Na"	45.978436
"624328"	61.993868	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+2Na"	45.978436
"1124191"	35.990768	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2Na"	45.978436
"1407712"	24.329604	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H+2Na"	46.985712
"1440919"	73.015846	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H+HCOOH"	47.012746
"227336"	54.02534	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+3H2O+2H"	56.04448
"1519408"	87.06789	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+IsoProp+H"	61.06479
"412898"	56.979288	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+Na+K"	61.952376
"774989"	69.980838	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+Na+K"	61.952376
"1671320"	43.977738	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Na+K"	61.952376
"254070"	116.021968	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+ACN+Na"	64.015768
"1227386"	90.018868	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+ACN+Na"	64.015768
"1713962"	90.042393	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+NH4+HCOOH"	64.039293
"1178913"	31.656918	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+3Na"	68.967654
"1650342"	94.997788	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Na+HCOOH"	68.994688
"159587"	128.92524	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+2K-H"	76.91904
"598300"	154.92834	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+2K-H"	76.91904
"1085982"	102.92214	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2K-H"	76.91904
"144617"	64.966258	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"2M+2K"	77.926316
"583934"	77.967808	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"3M+2K"	77.926316
"1071606"	51.964708	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2K"	77.926316
"1110659"	104.936692	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2K+H"	78.933592
"1341579"	105.024307	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+DMSO+H"	79.021207
"1015579"	109.063476	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2ACN+H"	83.060376
"1532611"	110.057108	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+IsoProp+Na+H"	84.054008
"999058"	55.035376	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+2ACN+2H"	84.067652
"1595747"	110.971728	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+K+HCOOH"	84.968628
"1418127"	141.003238	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+H+CF3COOH"	115.000138
"1151697"	75.548651	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+3ACN+2H"	125.094202
"1699425"	158.029785	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+NH4+CF3COOH"	132.026685
"1640178"	162.98518	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+Na+CF3COOH"	136.98208
"1584580"	178.95912	"C00177"	"Cyanide ion;Prussiate;CN-;Cyano;Cyanide"	"CN"	"26.0031"	"M+K+CF3COOH"	152.95602
"814946"	126.0429	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M"	0
"988481"	107.02451	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-H2O-H"	-19.01839
"78182"	83.021324	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M-3H"	-3.021828
"517986"	125.035624	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M-3H"	-3.021828
"894812"	41.007024	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-3H"	-3.021828
"13750"	125.035624	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M-2H"	-2.014552
"452947"	188.057074	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M-2H"	-2.014552
"828925"	62.014174	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-2H"	-2.014552
"88919"	251.078524	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M-H"	-1.007276
"526292"	377.121424	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M-H"	-1.007276
"897533"	125.035624	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-H"	-1.007276
"54098"	268.105071	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M-2H+NH4"	16.019271
"494752"	394.147971	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M-2H+NH4"	16.019271
"867084"	142.062171	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-2H+NH4"	16.019271
"34985"	273.060466	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M-2H+Na"	20.974666
"481108"	399.103366	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M-2H+Na"	20.974666
"857820"	147.017566	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-2H+Na"	20.974666
"1627354"	147.017566	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Na-2H"	20.974666
"101698"	143.023963	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M-H+Cl"	33.962126
"544540"	206.045413	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M-H+Cl"	33.962126
"933682"	80.002513	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-H+Cl"	33.962126
"273333"	287.055202	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+Cl"	34.969402
"666848"	413.098102	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+Cl"	34.969402
"1276332"	161.012302	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Cl"	34.969402
"19983"	289.034406	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M-2H+K"	36.948606
"463557"	415.077306	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M-2H+K"	36.948606
"839171"	162.991506	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-2H+K"	36.948606
"1561569"	162.991506	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+K-2H"	36.948606
"954921"	171.041094	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-H+HCOOH"	44.998194
"368764"	297.084001	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+HCOOH-H"	44.998201
"354832"	311.099651	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+Hac-H"	59.013851
"1506223"	185.056751	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Hac-H"	59.013851
"972549"	193.023051	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-H+NaCOOH"	66.980151
"125224"	161.012302	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+2Cl"	69.938804
"557495"	224.033752	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+2Cl"	69.938804
"1033949"	97.990852	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2Cl"	69.938804
"1256768"	204.961785	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Br"	78.918885
"1317800"	207.017772	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Cl+HCOOH"	80.974872
"1333470"	228.999729	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Cl+NaCOOH"	102.956829
"921249"	239.028486	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M-H+CF3COOH"	112.985586
"1300143"	275.005164	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Cl+CF3COOH"	148.962264
"1378305"	91.030224	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H-2H2O"	-35.012676
"1384865"	109.0402	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H-H2O"	-17.0027
"294399"	253.093076	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+H"	1.007276
"686825"	379.135976	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+H"	1.007276
"1363175"	127.050176	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H"	1.007276
"138250"	127.050176	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+2H"	2.014552
"568691"	190.071626	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+2H"	2.014552
"1042229"	64.028726	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2H"	2.014552
"210494"	85.035876	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+3H"	3.021828
"649690"	127.050176	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+3H"	3.021828
"1168909"	43.021576	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+3H"	3.021828
"427806"	270.119623	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+NH4"	18.033823
"787707"	396.162523	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+NH4"	18.033823
"1684038"	144.076723	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+NH4"	18.033823
"334503"	135.5634495	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+H+NH4"	19.041099
"728018"	198.5848995	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+H+NH4"	19.041099
"1480745"	72.5419995	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H+NH4"	19.041099
"402705"	275.075018	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+Na"	22.989218
"758232"	401.117918	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+Na"	22.989218
"1608521"	149.032118	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Na"	22.989218
"319287"	138.041147	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+H+Na"	23.996494
"715364"	201.062597	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+H+Na"	23.996494
"1466997"	75.019697	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H+Na"	23.996494
"1059150"	50.34889	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2H+Na"	25.00377
"1267390"	159.076386	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+CH3OH+H"	33.033486
"382684"	291.048958	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+K"	38.963158
"750242"	417.091858	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+K"	38.963158
"1551934"	165.006058	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+K"	38.963158
"313119"	146.028117	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+H+K"	39.970434
"701896"	209.049567	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+H+K"	39.970434
"1458267"	83.006667	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H+K"	39.970434
"246504"	294.119626	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+ACN+H"	42.033826
"1221397"	168.076726	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+ACN+H"	42.033826
"1205280"	84.542001	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+ACN+2H"	43.041102
"195967"	297.05696	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+2Na-H"	44.97116
"635526"	423.09986	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+2Na-H"	44.97116
"1140125"	171.01406	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2Na-H"	44.97116
"179041"	149.032118	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+2Na"	45.978436
"622978"	212.053568	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+2Na"	45.978436
"1120648"	86.010668	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2Na"	45.978436
"1411102"	57.676204	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H+2Na"	46.985712
"1437749"	173.055646	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H+HCOOH"	47.012746
"229633"	154.06514	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+3H2O+2H"	56.04448
"1517697"	187.10769	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+IsoProp+H"	61.06479
"415195"	157.019088	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+Na+K"	61.952376
"778378"	220.040538	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+Na+K"	61.952376
"1671429"	93.997638	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Na+K"	61.952376
"253938"	316.101568	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+ACN+Na"	64.015768
"1226646"	190.058668	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+ACN+Na"	64.015768
"1713101"	190.082193	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+NH4+HCOOH"	64.039293
"1179550"	65.003518	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+3Na"	68.967654
"1650532"	195.037588	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Na+HCOOH"	68.994688
"159455"	329.00484	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+2K-H"	76.91904
"597683"	455.04774	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+2K-H"	76.91904
"1086210"	202.96194	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2K-H"	76.91904
"141930"	165.006058	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"2M+2K"	77.926316
"581976"	228.027508	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"3M+2K"	77.926316
"1070258"	101.984608	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2K"	77.926316
"1110769"	204.976492	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2K+H"	78.933592
"1343878"	205.064107	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+DMSO+H"	79.021207
"1010220"	209.103276	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2ACN+H"	83.060376
"1531628"	210.096908	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+IsoProp+Na+H"	84.054008
"1000262"	105.055276	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+2ACN+2H"	84.067652
"1598045"	211.011528	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+K+HCOOH"	84.968628
"1422613"	241.043038	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+H+CF3COOH"	115.000138
"1151807"	125.568551	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+3ACN+2H"	125.094202
"1702452"	258.069585	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+NH4+CF3COOH"	132.026685
"1643569"	263.02498	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+Na+CF3COOH"	136.98208
"1584690"	278.99892	"C00178"	"Thymine;5-Methyluracil"	"C5H6N2O2"	"126.0429"	"M+K+CF3COOH"	152.95602
"813961"	130.1218	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M"	0
"987496"	111.10341	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-H2O-H"	-19.01839
"73550"	85.7405906666667	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M-3H"	-3.021828
"514203"	129.114524	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M-3H"	-3.021828
"889819"	42.3666573333333	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-3H"	-3.021828
"9488"	129.114524	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M-2H"	-2.014552
"450144"	194.175424	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M-2H"	-2.014552
"821384"	64.053624	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-2H"	-2.014552
"83564"	259.236324	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M-H"	-1.007276
"524219"	389.358124	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M-H"	-1.007276
"896548"	129.114524	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-H"	-1.007276
"47520"	276.262871	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M-2H+NH4"	16.019271
"489393"	406.384671	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M-2H+NH4"	16.019271
"873757"	146.141071	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-2H+NH4"	16.019271
"42389"	281.218266	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M-2H+Na"	20.974666
"474658"	411.340066	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M-2H+Na"	20.974666
"856838"	151.096466	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-2H+Na"	20.974666
"1627467"	151.096466	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Na-2H"	20.974666
"103996"	147.102863	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M-H+Cl"	33.962126
"542464"	212.163763	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M-H+Cl"	33.962126
"937072"	82.041963	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-H+Cl"	33.962126
"273443"	295.213002	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+Cl"	34.969402
"669145"	425.334802	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+Cl"	34.969402
"1276446"	165.091202	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Cl"	34.969402
"26295"	297.192206	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M-2H+K"	36.948606
"465855"	427.314006	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M-2H+K"	36.948606
"844756"	167.070406	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-2H+K"	36.948606
"1558400"	167.070406	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+K-2H"	36.948606
"956125"	175.119994	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-H+HCOOH"	44.998194
"374342"	305.241801	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+HCOOH-H"	44.998201
"356043"	319.257451	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+Hac-H"	59.013851
"1503417"	189.135651	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Hac-H"	59.013851
"968042"	197.101951	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-H+NaCOOH"	66.980151
"122416"	165.091202	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+2Cl"	69.938804
"560886"	230.152102	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+2Cl"	69.938804
"1032966"	100.030302	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2Cl"	69.938804
"1252543"	209.040685	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Br"	78.918885
"1313899"	211.096672	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Cl+HCOOH"	80.974872
"1330300"	233.078629	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Cl+NaCOOH"	102.956829
"919171"	243.107386	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M-H+CF3COOH"	112.985586
"1296973"	279.084064	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Cl+CF3COOH"	148.962264
"1376228"	95.109124	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H-2H2O"	-35.012676
"1383397"	113.1191	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H-H2O"	-17.0027
"293420"	261.250876	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+H"	1.007276
"686935"	391.372676	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+H"	1.007276
"1364375"	131.129076	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H"	1.007276
"130702"	131.129076	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+2H"	2.014552
"568073"	196.189976	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+2H"	2.014552
"1041246"	66.068176	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2H"	2.014552
"208418"	87.7551426666667	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+3H"	3.021828
"649800"	131.129076	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+3H"	3.021828
"1167926"	44.3812093333333	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+3H"	3.021828
"429010"	278.277423	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+NH4"	18.033823
"788911"	408.399223	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+NH4"	18.033823
"1689615"	148.155623	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+NH4"	18.033823
"338988"	139.6423495	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+H+NH4"	19.041099
"728128"	204.7032495	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+H+NH4"	19.041099
"1483042"	74.5814495	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H+NH4"	19.041099
"396254"	283.232818	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+Na"	22.989218
"758343"	413.354618	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+Na"	22.989218
"1606445"	153.111018	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Na"	22.989218
"321961"	142.120047	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+H+Na"	23.996494
"716568"	207.180947	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+H+Na"	23.996494
"1472577"	77.059147	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H+Na"	23.996494
"1060355"	51.7085233333333	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2H+Na"	25.00377
"1268230"	163.155286	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+CH3OH+H"	33.033486
"380607"	299.206758	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+K"	38.963158
"749260"	429.328558	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+K"	38.963158
"1551315"	169.084958	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+K"	38.963158
"308491"	150.107017	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+H+K"	39.970434
"699816"	215.167917	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+H+K"	39.970434
"1454731"	85.046117	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H+K"	39.970434
"244427"	302.277426	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+ACN+H"	42.033826
"1220415"	172.155626	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+ACN+H"	42.033826
"1202113"	86.581451	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+ACN+2H"	43.041102
"197171"	305.21476	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+2Na-H"	44.97116
"629804"	435.33656	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+2Na-H"	44.97116
"1134769"	175.09296	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2Na-H"	44.97116
"177329"	153.111018	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+2Na"	45.978436
"623088"	218.171918	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+2Na"	45.978436
"1129150"	88.050118	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2Na"	45.978436
"1411215"	59.0358373333333	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H+2Na"	46.985712
"1442235"	177.134546	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H+HCOOH"	47.012746
"230476"	158.14404	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+3H2O+2H"	56.04448
"1517808"	191.18659	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+IsoProp+H"	61.06479
"418587"	161.097988	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+Na+K"	61.952376
"776302"	226.158888	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+Na+K"	61.952376
"1673726"	96.037088	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Na+K"	61.952376
"252226"	324.259368	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+ACN+Na"	64.015768
"1227851"	194.137568	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+ACN+Na"	64.015768
"1713093"	194.161093	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+NH4+HCOOH"	64.039293
"1178545"	66.3631513333333	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+3Na"	68.967654
"1649936"	199.116488	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Na+HCOOH"	68.994688
"157265"	337.16264	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+2K-H"	76.91904
"598895"	467.28444	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+2K-H"	76.91904
"1085834"	207.04084	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2K-H"	76.91904
"142042"	169.084958	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"2M+2K"	77.926316
"582696"	234.145858	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"3M+2K"	77.926316
"1069157"	104.024058	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2K"	77.926316
"1109786"	209.055392	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2K+H"	78.933592
"1336938"	209.143007	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+DMSO+H"	79.021207
"1013613"	213.182176	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2ACN+H"	83.060376
"1530644"	214.175808	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+IsoProp+Na+H"	84.054008
"995999"	107.094726	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+2ACN+2H"	84.067652
"1591595"	215.090428	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+K+HCOOH"	84.968628
"1417619"	245.121938	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+H+CF3COOH"	115.000138
"1155199"	127.608001	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+3ACN+2H"	125.094202
"1705843"	262.148485	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+NH4+CF3COOH"	132.026685
"1649846"	267.10388	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+Na+CF3COOH"	136.98208
"1584799"	283.07782	"C00179"	"Agmatine;(4-Aminobutyl) guanidine"	"C5H14N4"	"130.1218"	"M+K+CF3COOH"	152.95602
"812980"	122.0368	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M"	0
"986512"	103.01841	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-H2O-H"	-19.01839
"72566"	80.3505906666667	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M-3H"	-3.021828
"509941"	121.029524	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M-3H"	-3.021828
"889929"	39.6716573333333	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-3H"	-3.021828
"9597"	121.029524	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M-2H"	-2.014552
"444786"	182.047924	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M-2H"	-2.014552
"820401"	60.011124	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-2H"	-2.014552
"79301"	243.066324	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M-H"	-1.007276
"524329"	365.103124	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M-H"	-1.007276
"907234"	121.029524	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-H"	-1.007276
"55411"	260.092871	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M-2H+NH4"	16.019271
"497159"	382.129671	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M-2H+NH4"	16.019271
"870588"	138.056071	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-2H+NH4"	16.019271
"37397"	265.048266	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M-2H+Na"	20.974666
"480237"	387.085066	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M-2H+Na"	20.974666
"863148"	143.011466	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-2H+Na"	20.974666
"1632803"	143.011466	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Na-2H"	20.974666
"105201"	139.017863	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M-H+Cl"	33.962126
"546950"	200.036263	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M-H+Cl"	33.962126
"938277"	77.999463	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-H+Cl"	33.962126
"275740"	279.043002	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+Cl"	34.969402
"665607"	401.079802	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+Cl"	34.969402
"1286645"	157.006202	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Cl"	34.969402
"25311"	281.022206	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M-2H+K"	36.948606
"469126"	403.059006	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M-2H+K"	36.948606
"844861"	158.985406	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-2H+K"	36.948606
"1570541"	158.985406	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+K-2H"	36.948606
"955512"	167.034994	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-H+HCOOH"	44.998194
"375187"	289.071801	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+HCOOH-H"	44.998201
"359070"	303.087451	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+Hac-H"	59.013851
"1504622"	181.050651	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Hac-H"	59.013851
"969247"	189.016951	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-H+NaCOOH"	66.980151
"123985"	157.006202	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+2Cl"	69.938804
"557715"	218.024602	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+2Cl"	69.938804
"1036721"	95.987802	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2Cl"	69.938804
"1252656"	200.955685	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Br"	78.918885
"1316198"	203.011672	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Cl+HCOOH"	80.974872
"1333692"	224.993629	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Cl+NaCOOH"	102.956829
"923657"	235.022386	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M-H+CF3COOH"	112.985586
"1300366"	270.999064	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Cl+CF3COOH"	148.962264
"1378529"	87.024124	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H-2H2O"	-35.012676
"1394935"	105.0341	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H-H2O"	-17.0027
"293529"	245.080876	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+H"	1.007276
"690325"	367.117676	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+H"	1.007276
"1360115"	123.044076	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H"	1.007276
"138471"	123.044076	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+2H"	2.014552
"578030"	184.062476	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+2H"	2.014552
"1047922"	62.025676	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2H"	2.014552
"216188"	82.3651426666667	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+3H"	3.021828
"658298"	123.044076	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+3H"	3.021828
"1169133"	41.6862093333333	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+3H"	3.021828
"429124"	262.107423	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+NH4"	18.033823
"793399"	384.144223	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+NH4"	18.033823
"1691916"	140.070623	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+NH4"	18.033823
"339101"	131.5573495	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+H+NH4"	19.041099
"733707"	192.5757495	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+H+NH4"	19.041099
"1486432"	70.5389495	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H+NH4"	19.041099
"398554"	267.062818	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+Na"	22.989218
"760642"	389.099618	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+Na"	22.989218
"1610940"	145.026018	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Na"	22.989218
"326444"	134.035047	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+H+Na"	23.996494
"716678"	195.053447	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+H+Na"	23.996494
"1468312"	73.016647	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H+Na"	23.996494
"1060464"	49.0135233333333	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2H+Na"	25.00377
"1262143"	155.070286	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+CH3OH+H"	33.033486
"387649"	283.036758	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+K"	38.963158
"748278"	405.073558	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+K"	38.963158
"1548144"	160.999958	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+K"	38.963158
"305684"	142.022017	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+H+K"	39.970434
"702115"	203.040417	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+H+K"	39.970434
"1457028"	81.003617	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H+K"	39.970434
"245631"	286.107426	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+ACN+H"	42.033826
"1219433"	164.070626	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+ACN+H"	42.033826
"1203314"	82.538951	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+ACN+2H"	43.041102
"193997"	289.04476	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+2Na-H"	44.97116
"637934"	411.08156	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+2Na-H"	44.97116
"1141441"	167.00796	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2Na-H"	44.97116
"186434"	145.026018	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+2Na"	45.978436
"621012"	206.044418	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+2Na"	45.978436
"1129624"	84.007618	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2Na"	45.978436
"1413269"	56.3408373333333	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H+2Na"	46.985712
"1442348"	169.049546	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H+HCOOH"	47.012746
"229853"	150.05904	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+3H2O+2H"	56.04448
"1520106"	183.10159	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+IsoProp+H"	61.06479
"420522"	153.012988	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+Na+K"	61.952376
"782608"	214.031388	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+Na+K"	61.952376
"1673836"	91.994588	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Na+K"	61.952376
"257076"	308.089368	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+ACN+Na"	64.015768
"1228690"	186.052568	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+ACN+Na"	64.015768
"1716485"	186.076093	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+NH4+HCOOH"	64.039293
"1181836"	63.6681513333333	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+3Na"	68.967654
"1651729"	191.031488	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Na+HCOOH"	68.994688
"165891"	320.99264	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+2K-H"	76.91904
"603624"	443.02944	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+2K-H"	76.91904
"1087770"	198.95584	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2K-H"	76.91904
"150422"	160.999958	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"2M+2K"	77.926316
"586700"	222.018358	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"3M+2K"	77.926316
"1071224"	99.981558	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2K"	77.926316
"1099915"	200.970392	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2K+H"	78.933592
"1335953"	201.058007	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+DMSO+H"	79.021207
"1007281"	205.097176	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2ACN+H"	83.060376
"1524432"	206.090808	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+IsoProp+Na+H"	84.054008
"990034"	103.052226	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+2ACN+2H"	84.067652
"1587326"	207.005428	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+K+HCOOH"	84.968628
"1423925"	237.036938	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+H+CF3COOH"	115.000138
"1152027"	123.565501	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+3ACN+2H"	125.094202
"1705953"	254.063485	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+NH4+CF3COOH"	132.026685
"1640511"	259.01888	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+Na+CF3COOH"	136.98208
"1584910"	274.99282	"C00180"	"Benzoate;Benzoic acid;Benzenecarboxylic acid;Phenylformic acid;Dracylic acid"	"C7H6O2"	"122.0368"	"M+K+CF3COOH"	152.95602
"811994"	150.0528	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M"	0
"987717"	131.03441	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"74864"	99.027924	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"512242"	149.045524	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"888950"	49.010324	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"5337"	149.045524	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"449273"	224.071924	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"820514"	74.019124	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"93027"	299.098324	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"528815"	449.151124	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"908802"	149.045524	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"57709"	316.124871	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"495081"	466.177671	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"875076"	166.072071	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"41883"	321.080266	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"483631"	471.133066	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"863258"	171.027466	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1633155"	171.027466	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"106405"	167.033863	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"544872"	242.060263	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"937295"	92.007463	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"276945"	335.075002	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"669368"	485.127802	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1286146"	185.022202	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"27611"	337.054206	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"467171"	487.107006	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"839505"	187.001406	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1556431"	187.001406	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"948691"	195.050994	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"374204"	345.103801	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"359181"	359.119451	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1504002"	209.066651	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"970451"	217.032951	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"122639"	185.022202	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"558920"	260.048602	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1029908"	109.995802	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1250579"	228.971685	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1316307"	231.027672	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1333438"	253.009629	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"925347"	263.038386	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1300476"	299.015064	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1377545"	115.040124	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1394685"	133.0501	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"294371"	301.112876	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"690440"	451.165676	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1358038"	151.060076	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"133112"	151.060076	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"579231"	226.086476	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1048761"	76.033676	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"213744"	101.042476	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"651118"	151.060076	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1169243"	51.024876	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"432514"	318.139423	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"796790"	468.192223	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1692026"	168.086623	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"339210"	159.5733495	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"735639"	234.5997495	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1488731"	84.5469495	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"401943"	323.094818	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"764032"	473.147618	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1613240"	173.042018	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"327285"	162.051047	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"716790"	237.077447	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1469516"	87.024647	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1063855"	58.35219	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1264436"	183.086286	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"388128"	339.068758	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"749486"	489.121558	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1550080"	189.015958	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"310898"	170.038017	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"703685"	245.064417	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1453859"	95.011617	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"248295"	342.139426	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1219544"	192.086626	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1203427"	96.546951	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"197391"	345.07676	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"633671"	495.12956	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1142645"	195.02396	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"184842"	173.042018	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"627442"	248.068418	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1129008"	98.015618	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1411434"	65.679504	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1442095"	197.065546	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"227782"	178.07504	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1514752"	211.11759	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"417717"	181.028988	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"777620"	256.055388	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1677229"	106.002588	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"258280"	364.121368	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1229897"	214.068568	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1717689"	214.092093	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1180489"	73.006818	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1654025"	219.047488	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"166728"	377.02464	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"603735"	527.07744	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1088245"	226.97184	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"151625"	189.015958	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"584987"	264.042358	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1071334"	113.989558	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1100528"	228.986392	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1336309"	229.074007	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1010553"	233.113176	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1527584"	234.106808	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"990258"	117.060226	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1588536"	235.021428	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1415655"	265.052938	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1152139"	137.573501	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1707158"	282.079485	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1640621"	287.03488	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1585020"	303.00882	"C00181"	"D-Xylose;Wood sugar"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"812104"	666.2219	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M"	0
"982356"	647.20351	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"77973"	443.140657333333	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"512344"	665.214624	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"886873"	221.066690666667	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"5447"	665.214624	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"447196"	998.325574	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"822810"	332.103674	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"94029"	1331.436524	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"528925"	1997.658424	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"906725"	665.214624	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"56725"	1348.463071	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"495191"	2014.684971	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"872996"	682.241171	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"41993"	1353.418466	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"483741"	2019.640366	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"862517"	687.196566	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1633793"	687.196566	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"103235"	683.202963	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"544982"	1016.313913	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"937404"	350.092013	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"279242"	1367.413202	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"670568"	2033.635102	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1284064"	701.191302	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"25534"	1369.392406	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"468374"	2035.614306	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"843989"	703.170506	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1556906"	703.170506	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"947708"	711.220094	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"364829"	1377.442001	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"359652"	1391.457651	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1504109"	725.235751	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"971294"	733.202051	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"120564"	701.191302	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"564137"	1034.302252	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1032206"	368.080352	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1253971"	745.140785	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1318242"	747.196772	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1334278"	769.178729	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"924607"	779.207486	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1301683"	815.184164	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1378748"	631.209224	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1397109"	649.2192	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"296555"	1333.451076	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"688732"	1999.672976	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1364347"	667.229176	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"138691"	667.229176	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"579711"	1000.340126	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1051792"	334.118226	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"219205"	445.155209333333	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"655968"	667.229176	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1173727"	223.081242666667	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"433718"	1350.477623	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"797993"	2016.699523	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1693595"	684.255723	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"340413"	675.7424495	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"733927"	1008.8533995	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1491029"	342.6314995	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"400961"	1355.433018	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"764142"	2021.654918	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1615904"	689.211118	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"327762"	678.220147	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"720911"	1011.331097	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1475095"	345.109197	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1063965"	230.408556666667	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1265643"	699.255386	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"389695"	1371.406958	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"749594"	2037.628858	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1553470"	705.185058	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"312103"	686.207117	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"704890"	1019.318067	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1456156"	353.096167	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"248040"	1374.477626	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1220748"	708.255726	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1203537"	354.631501	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"198594"	1377.41496	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"634143"	2043.63686	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1138380"	711.19306	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"178390"	689.211118	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"622325"	1022.322068	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1120362"	356.100168	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1410451"	237.735870666667	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1442570"	713.234646	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"231171"	694.24414	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1518141"	727.28669	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"420013"	697.198088	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"775176"	1030.309038	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1672965"	364.087138	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"254015"	1396.459568	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1228183"	730.237668	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1716340"	730.261193	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1180235"	245.063184666667	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1650732"	735.216588	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"166473"	1409.36284	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"603845"	2075.58474	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1087990"	743.14094	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"150642"	705.185058	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"583638"	1038.296008	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1075817"	372.074108	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1103560"	745.155492	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1338851"	745.243107	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1015035"	749.282276	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1533162"	750.275908	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"991956"	375.144776	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1588647"	751.190528	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1418682"	781.222038	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1156623"	395.658051	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1709456"	798.248585	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1647293"	803.20398	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1585130"	819.17792	"C00182"	"Glycogen"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"814401"	117.079	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M"	0
"985746"	98.06061	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"71801"	77.0453906666667	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"509174"	116.071724	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"886975"	38.0190573333333	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"3368"	116.071724	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"446211"	174.611224	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"822920"	57.532224	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"92756"	233.150724	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"529033"	350.229724	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"905742"	116.071724	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"55742"	250.177271	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"493113"	367.256271	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"877967"	133.098271	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"42103"	255.132666	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"482755"	372.211666	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"860561"	138.053666	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1634093"	138.053666	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"104438"	134.060063	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"546185"	192.599563	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"936421"	75.520563	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"279354"	269.127402	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"671771"	386.206402	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1285268"	152.048402	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"28924"	271.106606	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"471199"	388.185606	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"846285"	154.027606	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1562119"	154.027606	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"951098"	162.077194	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"363845"	279.156201	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"359762"	293.171851	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1504217"	176.092851	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"973959"	184.059151	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"125294"	152.048402	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"565222"	210.587902	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1036692"	93.508902	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1256838"	195.997885	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1318958"	198.053872	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1334386"	220.035829	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"924717"	230.064586	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1301796"	266.041264	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1379952"	82.066324	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1396369"	100.0763	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"296420"	235.165276	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"690299"	352.244276	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1363367"	118.086276	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"136254"	118.086276	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"580188"	176.625776	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1050445"	59.546776	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"218708"	79.0599426666667	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"656806"	118.086276	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1176631"	40.0336093333333	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"433827"	252.191823	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"798103"	369.270823	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1693340"	135.112823	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"339429"	126.5995495	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"735130"	185.1390495	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1487858"	68.0600495	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"404351"	257.147218	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"763157"	374.226218	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1617472"	140.068218	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"327871"	129.077247	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"720292"	187.616747	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1474112"	70.537747	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1064076"	47.3609233333333	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1266846"	150.112486	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"391996"	273.121158	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"752619"	390.200158	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1554674"	156.042158	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"313914"	137.064217	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"706783"	195.603717	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1457360"	78.524717	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"248149"	276.191826	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1220858"	159.112826	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1203645"	80.060051	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"198704"	279.12916	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"633891"	396.20816	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1138490"	162.05016	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"178133"	140.068218	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"624622"	198.607718	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1122660"	81.528718	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1406184"	54.6882373333333	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1443772"	164.091746	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"233467"	145.10124	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1521531"	178.14379	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"420123"	148.055188	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"776745"	206.594688	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1667607"	89.515688	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"256678"	298.173768	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1227565"	181.094768	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1716450"	181.118293	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1179494"	62.0155513333333	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1651329"	186.073688	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"157621"	311.07704	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"597751"	428.15604	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1084652"	193.99804	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"141873"	156.042158	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"584114"	214.581658	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1079206"	97.502658	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1108044"	196.012592	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1347708"	196.100207	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1017333"	200.139376	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1536552"	201.133008	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"994254"	100.573326	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1593132"	202.047628	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1420978"	232.079138	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1156733"	121.086601	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1709566"	249.105685	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1647403"	254.06108	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1585240"	270.03502	"C00183"	"L-Valine;2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"815604"	90.0317	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M"	0
"985856"	71.01331	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"71911"	59.0138573333333	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"509284"	89.024424	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"887085"	29.0032906666667	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"3472"	89.024424	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"440721"	134.040274	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"817507"	44.008574	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"91773"	179.056124	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"529143"	269.087824	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"905852"	89.024424	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"56945"	196.082671	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"493223"	286.114371	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"872120"	106.050971	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"44399"	201.038066	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"483958"	291.069766	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"860666"	111.006366	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1629110"	111.006366	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"104548"	107.012763	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"545201"	152.028613	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"937261"	61.996913	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"276180"	215.032802	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"673340"	305.064502	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1285986"	125.001102	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"24659"	217.012006	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"460208"	307.043706	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"846031"	126.980306	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1563323"	126.980306	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"944646"	135.029894	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"361560"	225.061601	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"359144"	239.077251	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1501047"	149.045551	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"973943"	157.011851	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"123580"	125.001102	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"564113"	170.016952	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1035586"	79.985252	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1256256"	168.950585	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1319429"	171.006572	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1334858"	192.988529	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"923000"	203.017286	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1299713"	238.993964	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1380062"	55.019024	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1396478"	73.029	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"296894"	181.070676	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"688222"	271.102376	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1363110"	91.038976	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"136361"	91.038976	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"580178"	136.054826	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1050554"	46.023126	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"217604"	61.0284093333333	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"656552"	91.038976	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1172854"	31.0178426666667	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"435031"	198.097223	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"797119"	288.128923	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1692356"	108.065523	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"338446"	99.5522495	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"734147"	144.5680995	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1487968"	54.5363995	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"403367"	203.052618	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"762174"	293.084318	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1617219"	113.020918	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"327618"	102.029947	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"719310"	147.045797	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1472036"	57.014097	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1063822"	38.3451566666667	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1265863"	123.065186	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"391984"	219.026558	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"750907"	309.058258	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1552962"	128.994858	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"312323"	110.016917	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"706568"	155.032767	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1456377"	65.001067	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"247166"	222.097226	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1220968"	132.065526	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1202662"	66.536401	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"197721"	225.03456	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"634000"	315.06626	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1138600"	135.00286	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"177878"	113.020918	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"624732"	158.036768	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1121677"	68.005068	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1405201"	45.6724706666667	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1443882"	137.044446	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"230297"	118.05394	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1521277"	151.09649	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"418046"	121.007888	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"777583"	166.023738	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1668081"	75.992038	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"257152"	244.079168	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1228039"	154.047468	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1715467"	154.070993	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1178872"	52.9997846666667	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1650466"	159.026388	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"157934"	256.98244	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"597860"	347.01414	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1084802"	166.95074	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"142832"	128.994858	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"584224"	174.010708	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1073848"	83.979008	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1108154"	168.965292	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1347818"	169.052907	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1020116"	173.092076	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1538727"	174.085708	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"993271"	87.049676	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1593241"	175.000328	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1421088"	205.031838	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1156843"	107.562951	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1710769"	222.058385	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1647513"	227.01378	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1585350"	242.98772	"C00184"	"Glycerone;Dihydroxyacetone;13-Dihydroxyacetone;13-Dihydroxy-2-propanone;13-Dihydroxypropan-2-one"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"812434"	342.1162	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M"	0
"982686"	323.09781	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"68741"	227.070190666667	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"507206"	341.108924	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"881727"	113.031457333333	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"2488"	341.108924	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"441195"	512.167024	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"817415"	170.050824	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"79350"	683.225124	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"527066"	1025.341324	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"903774"	341.108924	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"53774"	700.251671	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"488959"	1042.367871	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"866763"	358.135471	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"43415"	705.207066	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"479694"	1047.323266	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"860776"	363.090866	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1633475"	363.090866	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"106848"	359.097263	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"547745"	530.155363	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"939922"	188.039163	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"279570"	719.201802	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"674543"	1061.318002	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1287804"	377.085602	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"26956"	721.181006	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"465421"	1063.297206	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"844318"	379.064806	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1564525"	379.064806	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"946942"	387.114394	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"362604"	729.230601	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"349043"	743.246251	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1500063"	401.130051	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"974198"	409.096351	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"123811"	377.085602	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"563980"	548.143702	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1036059"	206.027502	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1255758"	421.035085	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1318936"	423.091072	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1334239"	445.073029	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"925297"	455.101786	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1294354"	491.078464	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1379078"	307.103524	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1397439"	325.1135	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"294454"	685.239676	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"687602"	1027.355876	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1359574"	343.123476	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"137568"	343.123476	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"579679"	514.181576	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1049571"	172.065376	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"218560"	229.084742666667	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"654839"	343.123476	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1171870"	115.046009333333	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"435140"	702.266223	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"797227"	1044.382423	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1691371"	360.150023	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"339649"	351.6367495	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"736445"	522.6948495	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1490266"	180.5786495	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"398010"	707.221618	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"759004"	1049.337818	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1615871"	365.105418	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"325543"	354.114447	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"718692"	525.172547	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1472146"	183.056347	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1064296"	122.373323333333	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1264880"	375.149686	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"389664"	723.195558	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"751747"	1065.311758	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1551615"	381.079358	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"311705"	362.101417	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"703036"	533.159517	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1455393"	191.043317	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"247276"	726.266226	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1221079"	384.150026	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1201680"	192.578651	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"196738"	729.20356	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"635204"	1071.31976	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1138711"	387.08736	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"177988"	365.105418	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"624842"	536.163518	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1121787"	194.047318	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1405311"	129.700637333333	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1442533"	389.128946	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"227127"	370.13844	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1517377"	403.18099	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"417063"	373.092388	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"776236"	544.150488	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1671107"	202.034288	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"259085"	748.248168	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1232159"	406.131968	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1715576"	406.155493	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1179349"	137.027951333333	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1650698"	411.110888	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"157249"	761.15144	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"597198"	1103.26764	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1084427"	419.03524	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"142579"	381.079358	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"581385"	552.137458	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1078332"	210.021258	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1112638"	421.049792	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1347928"	421.137407	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1019618"	425.176576	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1538351"	426.170208	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"997754"	213.091926	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1591165"	427.084828	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1422291"	457.116338	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1155859"	233.605201	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1711852"	474.142885	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1648716"	479.09828	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1585460"	495.07222	"C00185"	"Cellobiose;1-beta-D-Glucopyranosyl-4-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"809264"	90.0317	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M"	0
"979516"	71.01331	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"72131"	59.0138573333333	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"508409"	89.024424	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"880133"	29.0032906666667	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"1504"	89.024424	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"442157"	134.040274	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"818864"	44.008574	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"81039"	179.056124	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"520963"	269.087824	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"899874"	89.024424	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"52791"	196.082671	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"488704"	286.114371	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"866994"	106.050971	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"43525"	201.038066	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"481991"	291.069766	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"860886"	111.006366	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1633097"	111.006366	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"108046"	107.012763	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"549271"	152.028613	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"940033"	61.996913	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"278587"	215.032802	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"675424"	305.064502	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1287873"	125.001102	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"27066"	217.012006	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"465531"	307.043706	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"842242"	126.980306	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1561355"	126.980306	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"944865"	135.029894	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"361482"	225.061601	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"352433"	239.077251	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1501266"	149.045551	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"972826"	157.011851	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"125136"	125.001102	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"563477"	170.016952	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1036654"	79.985252	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1256598"	168.950585	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1316853"	171.006572	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1333255"	192.988529	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"922127"	203.017286	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1302119"	238.993964	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1379188"	55.019024	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1397054"	73.029	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"296022"	181.070676	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"688073"	271.102376	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1360776"	91.038976	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"138040"	91.038976	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"578694"	136.054826	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1051135"	46.023126	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"217941"	61.0284093333333	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"652762"	91.038976	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1174166"	31.0178426666667	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"434156"	198.097223	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"796973"	288.128923	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1693668"	108.065523	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"341946"	99.5522495	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"735461"	144.5680995	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1487098"	54.5363995	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"398120"	203.052618	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"761301"	293.084318	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1614888"	113.020918	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"328204"	102.029947	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"717708"	147.045797	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1471161"	57.014097	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1060032"	38.3451566666667	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1267176"	123.065186	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"389409"	219.026558	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"753314"	309.058258	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1552457"	128.994858	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"312544"	110.016917	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"704604"	155.032767	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1456596"	65.001067	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"244106"	222.097226	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1221189"	132.065526	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1202883"	66.536401	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"196848"	225.03456	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"635314"	315.06626	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1138821"	135.00286	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"177370"	113.020918	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"626654"	158.036768	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1121897"	68.005068	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1406514"	45.6724706666667	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1441550"	137.044446	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"227237"	118.05394	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1517487"	151.09649	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"417173"	121.007888	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"775616"	166.023738	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1671217"	75.992038	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"259195"	244.079168	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1231175"	154.047468	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1714593"	154.070993	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1179582"	52.9997846666667	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1651295"	159.026388	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"157550"	256.98244	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"597592"	347.01414	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1084783"	166.95074	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"143052"	128.994858	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"581600"	174.010708	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1078440"	83.979008	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1112749"	168.965292	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1348039"	169.052907	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1020458"	173.092076	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1536881"	174.085708	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"996771"	87.049676	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1594554"	175.000328	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1419121"	205.031838	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1155969"	107.562951	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1710990"	222.058385	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1648826"	227.01378	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1585570"	242.98772	"C00186"	"(S)-Lactate;L-Lactate;L-Lactic acid"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"812654"	386.3549	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M"	0
"982906"	367.33651	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"72241"	256.562657333333	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"507426"	385.347624	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"882669"	127.777690666667	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"1615"	385.347624	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"442267"	578.525074	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"819338"	192.170174	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"82971"	771.702524	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"520710"	1158.057424	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"898526"	385.347624	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"49985"	788.729071	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"489301"	1175.083971	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"866983"	402.374171	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"41447"	793.684466	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"476633"	1180.039366	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"863183"	407.329566	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1633449"	407.329566	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"108887"	403.335963	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"549923"	596.513413	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"941966"	210.158513	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"280885"	807.679202	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"674763"	1194.034102	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1287775"	421.324302	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"29362"	809.658406	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"463454"	1196.013306	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"844538"	423.303506	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1563652"	423.303506	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"947162"	431.353094	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"362217"	817.708001	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"354729"	831.723651	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1505021"	445.368751	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"974166"	453.335051	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"125692"	421.324302	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"563587"	614.501752	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1035545"	228.146852	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1257037"	465.273785	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1319150"	467.329772	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1333365"	489.311729	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"925153"	499.340486	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1303322"	535.317164	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1382336"	351.342224	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1398273"	369.3522	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"297589"	773.717076	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"690737"	1160.071976	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1359794"	387.362176	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H"	1.007276
"140948"	387.362176	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"579171"	580.539626	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1050521"	194.184726	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"218420"	258.577209333333	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"657975"	387.362176	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1175372"	129.792242666667	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"437184"	790.743623	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"797812"	1177.098523	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1693779"	404.388723	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"342057"	395.8754495	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"737395"	589.0528995	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1490485"	202.6979995	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"402605"	795.699018	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"763598"	1182.053918	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1615723"	409.344118	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"328678"	398.353147	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"719640"	591.530597	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1471271"	205.175697	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1063421"	137.119556666667	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1270201"	419.388386	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"392437"	811.672958	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"751967"	1198.027858	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1555115"	425.318058	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K"	38.963158
"312651"	406.340117	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"703979"	599.517567	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1456706"	213.162667	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"248224"	814.743626	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1222392"	428.388726	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1202992"	214.698001	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"192582"	817.68096	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"633237"	1204.03586	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1138931"	431.32606	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"176752"	409.344118	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"627249"	602.521568	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1122007"	216.166668	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1403707"	144.446870666667	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1442023"	433.367646	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"231721"	414.37714	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1519785"	447.41969	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"418377"	417.331088	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"778279"	610.508538	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1671694"	224.153638	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"257118"	836.725568	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1228369"	450.370668	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1715796"	450.394193	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1178714"	151.774184666667	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1651036"	455.349588	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"157901"	849.62884	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"597824"	1235.98374	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1085131"	463.27394	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"144011"	425.318058	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"581872"	618.495508	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1081831"	232.140608	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1114683"	465.288492	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1348878"	465.376107	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1020895"	469.415276	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1537599"	470.408908	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"996881"	235.211276	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1596851"	471.323528	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1424698"	501.355038	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1159359"	255.724551	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1711830"	518.381585	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1648572"	523.33698	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1585680"	539.31092	"C00187"	"Cholesterol;Cholest-5-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"811671"	119.0582	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M"	0
"979736"	100.03981	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"69071"	78.3648573333333	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"504254"	118.050924	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"880515"	38.6787906666667	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"1724"	118.050924	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"441646"	177.580024	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"819080"	58.521824	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"79801"	237.109124	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"518649"	356.167324	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"900093"	118.050924	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"49365"	254.135671	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"489045"	373.193871	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"867093"	135.077471	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"42650"	259.091066	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"476743"	378.149266	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"857826"	140.032866	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1633519"	140.032866	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"108266"	136.039263	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"545640"	195.568363	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"935875"	76.510163	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"280994"	273.085802	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"672319"	392.144002	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1288131"	154.027602	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"31057"	275.065006	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"464658"	394.123206	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"839179"	156.006806	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1568136"	156.006806	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"949458"	164.056394	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"362569"	283.114601	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"352652"	297.130251	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1506224"	178.072051	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"970120"	186.038351	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"122311"	154.027602	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"558588"	213.556702	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1030667"	94.498502	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1244778"	197.977085	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1309415"	200.033072	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1325817"	222.015029	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"914689"	232.043786	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1296868"	268.020464	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1380503"	84.045524	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1394718"	102.0555	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"297333"	239.123676	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"691178"	358.181876	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1366790"	120.065476	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"140813"	120.065476	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"579276"	179.594576	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1048800"	60.536376	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"213421"	80.3794093333333	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"658085"	120.065476	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1177305"	40.6933426666667	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"436565"	256.150223	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"796463"	375.208423	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1689516"	137.092023	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"338886"	128.5787495	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"729120"	188.1078495	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1490593"	69.0496495	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"401620"	261.105618	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"765894"	380.163818	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1614011"	142.047418	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"324049"	131.056447	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"718652"	190.585547	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1470285"	71.527347	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1059156"	48.0206566666667	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1263020"	152.091686	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"392719"	277.079558	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"751711"	396.137758	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1553766"	158.021358	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"312761"	139.043417	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"702996"	198.572517	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1450618"	79.514317	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"245418"	280.150226	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1221408"	161.092026	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1200915"	81.049651	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"193420"	283.08756	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"634439"	402.14576	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1138311"	164.02936	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"177226"	142.047418	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"622255"	201.576518	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1124304"	82.518318	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1401630"	55.3479706666667	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1434110"	166.070946	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"231832"	147.08044	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1520989"	180.12299	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"420674"	150.034388	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"780574"	209.563488	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1672895"	90.505288	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"256498"	302.132168	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1231031"	183.073968	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1720645"	183.097493	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1179435"	62.6752846666667	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1650908"	188.052888	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"158375"	315.03544	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"598906"	434.09364	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1086824"	195.97724	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"143640"	158.021358	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"582590"	217.550458	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1082913"	98.492258	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1114427"	197.991792	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1350814"	198.079407	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1016788"	202.118576	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1532726"	203.112208	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"1003552"	101.562926	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1596962"	204.026828	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1424808"	234.058338	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1158376"	122.076201	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1710116"	251.084885	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1648926"	256.04028	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1585790"	272.01422	"C00188"	"L-Threonine;2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"811781"	61.0528	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M"	0
"979846"	42.03441	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-H2O-H"	-19.01839
"66994"	39.6945906666667	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M-3H"	-3.021828
"504000"	60.045524	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M-3H"	-3.021828
"880260"	19.3436573333333	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-3H"	-3.021828
"100"	60.045524	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M-2H"	-2.014552
"440783"	90.571924	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M-2H"	-2.014552
"817975"	29.519124	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-2H"	-2.014552
"78649"	121.098324	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M-H"	-1.007276
"519220"	182.151124	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M-H"	-1.007276
"900933"	60.045524	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-H"	-1.007276
"48017"	138.124871	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M-2H+NH4"	16.019271
"489399"	199.177671	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M-2H+NH4"	16.019271
"864272"	77.072071	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-2H+NH4"	16.019271
"31519"	143.080266	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M-2H+Na"	20.974666
"471701"	204.133066	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M-2H+Na"	20.974666
"857936"	82.027466	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-2H+Na"	20.974666
"1628563"	82.027466	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Na-2H"	20.974666
"107283"	78.033863	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M-H+Cl"	33.962126
"542470"	108.560263	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M-H+Cl"	33.962126
"932705"	47.507463	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-H+Cl"	33.962126
"278916"	157.075002	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+Cl"	34.969402
"672429"	218.127802	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+Cl"	34.969402
"1287143"	96.022202	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Cl"	34.969402
"28489"	159.054206	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M-2H+K"	36.948606
"463674"	220.107006	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M-2H+K"	36.948606
"843664"	98.001406	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-2H+K"	36.948606
"1567153"	98.001406	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+K-2H"	36.948606
"952849"	106.050994	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-H+HCOOH"	44.998194
"364502"	167.103801	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+HCOOH-H"	44.998201
"352762"	181.119451	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+Hac-H"	59.013851
"1504876"	120.066651	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Hac-H"	59.013851
"971324"	128.032951	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-H+NaCOOH"	66.980151
"122421"	96.022202	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+2Cl"	69.938804
"558698"	126.548602	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+2Cl"	69.938804
"1027497"	65.495802	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2Cl"	69.938804
"1244888"	139.971685	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Br"	78.918885
"1310618"	142.027672	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Cl+HCOOH"	80.974872
"1322647"	164.009629	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Cl+NaCOOH"	102.956829
"914799"	174.038386	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M-H+CF3COOH"	112.985586
"1294791"	210.015064	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Cl+CF3COOH"	148.962264
"1382073"	26.040124	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H-2H2O"	-35.012676
"1397380"	44.0501	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H-H2O"	-17.0027
"298172"	123.112876	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+H"	1.007276
"691201"	184.165676	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+H"	1.007276
"1366091"	62.060076	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H"	1.007276
"141395"	62.060076	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+2H"	2.014552
"579752"	92.586476	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+2H"	2.014552
"1045630"	31.533676	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2H"	2.014552
"214623"	41.7091426666667	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+3H"	3.021828
"657101"	62.060076	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+3H"	3.021828
"1177414"	21.3582093333333	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+3H"	3.021828
"437768"	140.139423	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+NH4"	18.033823
"794388"	201.192223	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+NH4"	18.033823
"1689626"	79.086623	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+NH4"	18.033823
"338996"	70.5733495	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+H+NH4"	19.041099
"725950"	101.0997495	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+H+NH4"	19.041099
"1490703"	40.0469495	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H+NH4"	19.041099
"396262"	145.094818	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+Na"	22.989218
"762725"	206.147618	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+Na"	22.989218
"1614850"	84.042018	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Na"	22.989218
"324159"	73.051047	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+H+Na"	23.996494
"715483"	103.577447	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+H+Na"	23.996494
"1469302"	42.524647	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H+Na"	23.996494
"1059266"	28.6855233333333	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2H+Na"	25.00377
"1262037"	94.086286	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+CH3OH+H"	33.033486
"392249"	161.068758	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+K"	38.963158
"752186"	222.121558	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+K"	38.963158
"1553146"	100.015958	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+K"	38.963158
"312507"	81.038017	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+H+K"	39.970434
"704928"	111.564417	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+H+K"	39.970434
"1451457"	50.511617	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H+K"	39.970434
"246621"	164.139426	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+ACN+H"	42.033826
"1218237"	103.086626	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+ACN+H"	42.033826
"1199930"	52.046951	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+ACN+2H"	43.041102
"189884"	167.07676	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+2Na-H"	44.97116
"637829"	228.12956	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+2Na-H"	44.97116
"1139151"	106.02396	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2Na-H"	44.97116
"178065"	84.042018	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+2Na"	45.978436
"620178"	114.568418	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+2Na"	45.978436
"1124414"	53.515618	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2Na"	45.978436
"1402833"	36.0128373333333	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H+2Na"	46.985712
"1434220"	108.065546	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H+HCOOH"	47.012746
"231940"	89.07504	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+3H2O+2H"	56.04448
"1520004"	122.11759	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+IsoProp+H"	61.06479
"418597"	92.028988	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+Na+K"	61.952376
"780683"	122.555388	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+Na+K"	61.952376
"1672641"	61.502588	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Na+K"	61.952376
"255515"	186.121368	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+ACN+Na"	64.015768
"1227131"	125.068568	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+ACN+Na"	64.015768
"1713826"	125.092093	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+NH4+HCOOH"	64.039293
"1179300"	43.3401513333333	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+3Na"	68.967654
"1650771"	130.047488	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Na+HCOOH"	68.994688
"157880"	199.02464	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+2K-H"	76.91904
"597677"	260.07744	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+2K-H"	76.91904
"1085350"	137.97184	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2K-H"	76.91904
"142651"	100.015958	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"2M+2K"	77.926316
"581427"	130.542358	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"3M+2K"	77.926316
"1082051"	69.489558	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2K"	77.926316
"1114537"	139.986392	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2K+H"	78.933592
"1350680"	140.074007	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+DMSO+H"	79.021207
"1019572"	144.113176	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2ACN+H"	83.060376
"1535023"	145.106808	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+IsoProp+Na+H"	84.054008
"1003541"	72.560226	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+2ACN+2H"	84.067652
"1597072"	146.021428	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+K+HCOOH"	84.968628
"1422731"	176.052938	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+H+CF3COOH"	115.000138
"1156298"	93.073501	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+3ACN+2H"	125.094202
"1711319"	193.079485	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+NH4+CF3COOH"	132.026685
"1648792"	198.03488	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+Na+CF3COOH"	136.98208
"1585900"	214.00882	"C00189"	"Ethanolamine;Aminoethanol;2-Hydroxyethylamine"	"C2H7NO"	"61.0528"	"M+K+CF3COOH"	152.95602
"812984"	536.0445	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M"	0
"979956"	517.02611	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-H2O-H"	-19.01839
"66374"	356.355724	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M-3H"	-3.021828
"505932"	535.037224	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M-3H"	-3.021828
"881181"	177.674224	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-3H"	-3.021828
"972"	535.037224	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M-2H"	-2.014552
"441503"	803.059474	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M-2H"	-2.014552
"817964"	267.014974	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-2H"	-2.014552
"78923"	1071.081724	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M-H"	-1.007276
"519089"	1607.126224	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M-H"	-1.007276
"899949"	535.037224	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-H"	-1.007276
"51407"	1088.108271	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+NH4"	16.019271
"488049"	1624.152771	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+NH4"	16.019271
"864862"	552.063771	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-2H+NH4"	16.019271
"31917"	1093.063666	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+Na"	20.974666
"471523"	1629.108166	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+Na"	20.974666
"858046"	557.019166	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-2H+Na"	20.974666
"1621016"	557.019166	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Na-2H"	20.974666
"107758"	553.025563	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M-H+Cl"	33.962126
"545860"	821.047813	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M-H+Cl"	33.962126
"939375"	285.003313	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-H+Cl"	33.962126
"281821"	1107.058402	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+Cl"	34.969402
"671446"	1643.102902	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+Cl"	34.969402
"1286767"	571.013902	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Cl"	34.969402
"29692"	1109.037606	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+K"	36.948606
"467064"	1645.082106	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+K"	36.948606
"844867"	572.993106	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-2H+K"	36.948606
"1569087"	572.993106	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+K-2H"	36.948606
"952960"	581.042694	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-H+HCOOH"	44.998194
"364613"	1117.087201	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+HCOOH-H"	44.998201
"351779"	1131.102851	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+Hac-H"	59.013851
"1502799"	595.058351	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Hac-H"	59.013851
"971434"	603.024651	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-H+NaCOOH"	66.980151
"122531"	571.013902	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+2Cl"	69.938804
"558808"	839.036152	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+2Cl"	69.938804
"1027607"	302.991652	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2Cl"	69.938804
"1243904"	614.963385	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Br"	78.918885
"1308542"	617.019372	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+HCOOH"	80.974872
"1326037"	639.001329	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+NaCOOH"	102.956829
"914909"	649.030086	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M-H+CF3COOH"	112.985586
"1294898"	685.006764	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+CF3COOH"	148.962264
"1370878"	501.031824	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H-2H2O"	-35.012676
"1393843"	519.0418	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H-H2O"	-17.0027
"297918"	1073.096276	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+H"	1.007276
"691067"	1609.140776	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+H"	1.007276
"1366443"	537.051776	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H"	1.007276
"140912"	537.051776	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+2H"	2.014552
"579862"	805.074026	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+2H"	2.014552
"1045740"	269.029526	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2H"	2.014552
"214733"	358.370276	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+3H"	3.021828
"656482"	537.051776	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+3H"	3.021828
"1177888"	179.688776	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+3H"	3.021828
"435692"	1090.122823	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+NH4"	18.033823
"795592"	1626.167323	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+NH4"	18.033823
"1688644"	554.078323	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+NH4"	18.033823
"335827"	545.5650495	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+H+NH4"	19.041099
"730433"	813.5872995	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+H+NH4"	19.041099
"1488627"	277.5427995	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H+NH4"	19.041099
"398560"	1095.078218	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+Na"	22.989218
"762835"	1631.122718	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+Na"	22.989218
"1614232"	559.033718	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Na"	22.989218
"323906"	548.042747	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+H+Na"	23.996494
"717416"	816.064997	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+H+Na"	23.996494
"1466133"	280.020497	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H+Na"	23.996494
"1058283"	187.01609	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2H+Na"	25.00377
"1262147"	569.077986	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+CH3OH+H"	33.033486
"391548"	1111.052158	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+K"	38.963158
"749379"	1647.096658	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+K"	38.963158
"1550341"	575.007658	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+K"	38.963158
"309702"	556.029717	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+H+K"	39.970434
"702123"	824.051967	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+H+K"	39.970434
"1454847"	288.007467	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H+K"	39.970434
"247097"	1114.122826	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+H"	42.033826
"1218348"	578.078326	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+H"	42.033826
"1200040"	289.542801	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+2H"	43.041102
"190843"	1117.06016	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na-H"	44.97116
"640125"	1653.10466	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na-H"	44.97116
"1139261"	581.01566	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2Na-H"	44.97116
"179268"	559.033718	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na"	45.978436
"617737"	827.055968	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na"	45.978436
"1123430"	291.011468	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2Na"	45.978436
"1405130"	194.343404	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H+2Na"	46.985712
"1435788"	583.057246	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H+HCOOH"	47.012746
"230594"	564.06674	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+3H2O+2H"	56.04448
"1514649"	597.10929	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+H"	61.06479
"415428"	567.020688	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+Na+K"	61.952376
"777513"	835.042938	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+Na+K"	61.952376
"1668376"	298.998438	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Na+K"	61.952376
"254893"	1136.104768	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+Na"	64.015768
"1226992"	600.060268	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+Na"	64.015768
"1714055"	600.083793	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+HCOOH"	64.039293
"1179002"	201.670718	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+3Na"	68.967654
"1650232"	605.039188	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Na+HCOOH"	68.994688
"157741"	1149.00804	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+2K-H"	76.91904
"598272"	1685.05254	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+2K-H"	76.91904
"1085946"	612.96354	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2K-H"	76.91904
"142518"	575.007658	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"2M+2K"	77.926316
"581674"	843.029908	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"3M+2K"	77.926316
"1079975"	306.985408	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2K"	77.926316
"1115598"	614.978092	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2K+H"	78.933592
"1350424"	615.065707	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+DMSO+H"	79.021207
"1020412"	619.104876	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+H"	83.060376
"1538171"	620.098508	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+Na+H"	84.054008
"1002679"	310.056076	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+2H"	84.067652
"1596089"	621.013128	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+K+HCOOH"	84.968628
"1420654"	651.044638	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+H+CF3COOH"	115.000138
"1157501"	330.569351	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+3ACN+2H"	125.094202
"1712158"	668.071185	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+CF3COOH"	132.026685
"1648902"	673.02658	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+Na+CF3COOH"	136.98208
"1586010"	689.00052	"C00190"	"UDP-D-xylose;UDP-xylose;UDP-alpha-D-xylose"	"C14H22N2O16P2"	"536.0445"	"M+K+CF3COOH"	152.95602
"812001"	194.0427	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M"	0
"980066"	175.02431	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"64418"	128.354524	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"503976"	193.035424	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"883476"	63.673624	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"5332"	193.035424	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"442097"	290.056774	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"818561"	96.014074	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"79644"	387.078124	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"518961"	581.120824	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"898965"	193.035424	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"48479"	404.104671	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"489982"	598.147371	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"866078"	210.061971	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"33132"	409.060066	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"472449"	603.102766	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"858156"	215.017366	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1621125"	215.017366	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"104222"	211.023763	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"544877"	308.045113	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"939485"	114.002413	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"278043"	423.054802	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"671556"	617.097502	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1286998"	229.012102	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"28709"	425.034006	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"464988"	619.076706	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"843884"	230.991306	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1569196"	230.991306	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"953800"	239.040894	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"368004"	433.083601	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"351889"	447.099251	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1501816"	253.056551	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"971544"	261.022851	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"122642"	229.012102	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"562200"	326.033452	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1030997"	131.990752	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1249483"	272.961585	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1311929"	275.017572	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1328335"	296.999529	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"916112"	307.028286	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1293185"	343.004964	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1372081"	159.030024	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1393953"	177.04	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"297662"	389.092676	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"690690"	583.135376	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1365946"	195.049976	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"140293"	195.049976	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"580660"	292.071326	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1045850"	98.028626	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"214843"	130.369076	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"654405"	195.049976	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1176176"	65.688176	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"433614"	406.119223	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"793515"	600.161923	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1687660"	212.076523	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"337030"	203.5632495	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"731638"	300.5845995	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1489830"	106.5418995	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"401950"	411.074618	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"766226"	605.117318	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1612152"	217.031918	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"324376"	206.040947	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"712422"	303.062297	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1462963"	109.019597	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1057298"	73.01549	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1260066"	227.076186	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"391537"	427.048558	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"748396"	621.091258	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1550451"	233.005858	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"308355"	214.027917	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"698953"	311.049267	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1451678"	117.006567	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"245748"	430.119226	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1216271"	236.076526	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1197964"	118.541901	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"190833"	433.05656	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"638049"	627.09926	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1137181"	239.01386	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"179378"	217.031918	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"617118"	314.053268	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1123540"	120.010568	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1407064"	80.342804	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1435900"	241.055446	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"227786"	222.06494	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1517309"	255.10749	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"416629"	225.018888	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"778718"	322.040238	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1667149"	127.997538	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"257192"	452.101168	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1227346"	258.058468	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1714533"	258.081993	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1179884"	87.670118	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1650302"	263.037388	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"158096"	465.00444	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"598629"	659.04714	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1086785"	270.96174	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"142751"	233.005858	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"582918"	330.027208	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1080085"	135.984508	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1115368"	272.976292	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1350533"	273.063907	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1020278"	277.103076	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1536335"	278.096708	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1002788"	139.055176	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1596198"	279.011328	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1418577"	309.042838	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1154331"	159.568451	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1709351"	326.069385	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1649376"	331.02478	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1586120"	346.99872	"C00191"	"D-Glucuronate;Glucuronic acid;Glucuronate"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"812111"	33.0215	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M"	0
"981269"	14.00311	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-H2O-H"	-19.01839
"64406"	21.0070573333333	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M-3H"	-3.021828
"503964"	32.014224	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M-3H"	-3.021828
"881400"	9.99989066666667	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-3H"	-3.021828
"462"	32.014224	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M-2H"	-2.014552
"441722"	48.524974	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M-2H"	-2.014552
"817577"	15.503474	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-2H"	-2.014552
"78817"	65.035724	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M-H"	-1.007276
"518702"	98.057224	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M-H"	-1.007276
"902355"	32.014224	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-H"	-1.007276
"51263"	82.062271	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M-2H+NH4"	16.019271
"489728"	115.083771	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M-2H+NH4"	16.019271
"865705"	49.040771	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-2H+NH4"	16.019271
"32268"	87.017666	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M-2H+Na"	20.974666
"473533"	120.039166	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M-2H+Na"	20.974666
"859360"	53.996166	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-2H+Na"	20.974666
"1621965"	53.996166	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Na-2H"	20.974666
"102145"	50.002563	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M-H+Cl"	33.962126
"539884"	66.513313	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M-H+Cl"	33.962126
"938501"	33.491813	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-H+Cl"	33.962126
"281313"	101.012402	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+Cl"	34.969402
"671667"	134.033902	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+Cl"	34.969402
"1287350"	67.990902	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Cl"	34.969402
"30524"	102.991606	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M-2H+K"	36.948606
"470813"	136.013106	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M-2H+K"	36.948606
"847642"	69.970106	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-2H+K"	36.948606
"1570399"	69.970106	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+K-2H"	36.948606
"957193"	78.019694	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-H+HCOOH"	44.998194
"371395"	111.041201	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+HCOOH-H"	44.998201
"351999"	125.056851	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+Hac-H"	59.013851
"1499740"	92.035351	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Hac-H"	59.013851
"967281"	100.001651	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-H+NaCOOH"	66.980151
"122751"	67.990902	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+2Cl"	69.938804
"564133"	84.501652	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+2Cl"	69.938804
"1026734"	51.480152	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2Cl"	69.938804
"1248499"	111.940385	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Br"	78.918885
"1310946"	113.996372	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Cl+HCOOH"	80.974872
"1327352"	135.978329	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Cl+NaCOOH"	102.956829
"921691"	146.007086	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M-H+CF3COOH"	112.985586
"1297305"	181.983764	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Cl+CF3COOH"	148.962264
"1370004"	-1.991176	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H-2H2O"	-35.012676
"1394063"	16.0188	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H-H2O"	-17.0027
"297651"	67.050276	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+H"	1.007276
"690803"	100.071776	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+H"	1.007276
"1365690"	34.028776	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H"	1.007276
"140159"	34.028776	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+2H"	2.014552
"579717"	50.539526	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+2H"	2.014552
"1045960"	17.518026	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2H"	2.014552
"213860"	23.0216093333333	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+3H"	3.021828
"656702"	34.028776	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+3H"	3.021828
"1177623"	12.0144426666667	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+3H"	3.021828
"432631"	84.076823	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+NH4"	18.033823
"793625"	117.098323	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+NH4"	18.033823
"1689956"	51.055323	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+NH4"	18.033823
"336047"	42.5420495	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+H+NH4"	19.041099
"730655"	59.0527995	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+H+NH4"	19.041099
"1485567"	26.0312995	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H+NH4"	19.041099
"402061"	89.032218	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+Na"	22.989218
"767066"	122.053718	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+Na"	22.989218
"1610074"	56.010718	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Na"	22.989218
"322298"	45.019747	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+H+Na"	23.996494
"712531"	61.530497	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+H+Na"	23.996494
"1464164"	28.508997	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H+Na"	23.996494
"1055947"	19.3417566666667	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2H+Na"	25.00377
"1259446"	66.054986	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+CH3OH+H"	33.033486
"383135"	105.006158	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+K"	38.963158
"751787"	138.027658	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+K"	38.963158
"1552385"	71.984658	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+K"	38.963158
"308829"	53.006717	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+H+K"	39.970434
"700885"	69.517467	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+H+K"	39.970434
"1457254"	36.495967	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H+K"	39.970434
"246224"	108.076826	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+ACN+H"	42.033826
"1219661"	75.055326	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+ACN+H"	42.033826
"1202447"	38.031301	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+ACN+2H"	43.041102
"193130"	111.01416	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+2Na-H"	44.97116
"639252"	144.03566	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+2Na-H"	44.97116
"1138384"	77.99266	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2Na-H"	44.97116
"180581"	56.010718	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+2Na"	45.978436
"619050"	72.521468	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+2Na"	45.978436
"1123650"	39.499968	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2Na"	45.978436
"1408267"	26.6690706666667	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H+2Na"	46.985712
"1441476"	80.034246	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H+HCOOH"	47.012746
"231176"	61.04374	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+3H2O+2H"	56.04448
"1518876"	94.08629	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+IsoProp+H"	61.06479
"418926"	63.997688	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+Na+K"	61.952376
"782106"	80.508438	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+Na+K"	61.952376
"1669689"	47.486938	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Na+K"	61.952376
"261675"	130.058768	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+ACN+Na"	64.015768
"1227821"	97.037268	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+ACN+Na"	64.015768
"1716707"	97.060793	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+NH4+HCOOH"	64.039293
"1178698"	33.9963846666667	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+3Na"	68.967654
"1650373"	102.016188	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Na+HCOOH"	68.994688
"158207"	142.96204	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+2K-H"	76.91904
"598495"	175.98354	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+2K-H"	76.91904
"1084950"	109.94054	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2K-H"	76.91904
"143104"	71.984658	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"2M+2K"	77.926316
"582178"	88.495408	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"3M+2K"	77.926316
"1079102"	55.473908	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2K"	77.926316
"1115485"	111.955092	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2K+H"	78.933592
"1351178"	112.042707	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+DMSO+H"	79.021207
"1019902"	116.081876	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2ACN+H"	83.060376
"1536445"	117.075508	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+IsoProp+Na+H"	84.054008
"1002900"	58.544576	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+2ACN+2H"	84.067652
"1598496"	117.990128	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+K+HCOOH"	84.968628
"1428530"	148.021638	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+H+CF3COOH"	115.000138
"1161002"	79.057851	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+3ACN+2H"	125.094202
"1707275"	165.048185	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+NH4+CF3COOH"	132.026685
"1649486"	170.00358	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+Na+CF3COOH"	136.98208
"1586230"	185.97752	"C00192"	"Hydroxylamine;NH2OH"	"NH3O"	"33.0215"	"M+K+CF3COOH"	152.95602
"810034"	106.0419	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M"	0
"982473"	87.02351	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-H2O-H"	-19.01839
"65247"	69.687324	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M-3H"	-3.021828
"503711"	105.034624	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M-3H"	-3.021828
"881510"	34.340024	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-3H"	-3.021828
"328"	105.034624	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M-2H"	-2.014552
"442925"	158.055574	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M-2H"	-2.014552
"817313"	52.013674	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-2H"	-2.014552
"78766"	211.076524	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M-H"	-1.007276
"518690"	317.118424	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M-H"	-1.007276
"901375"	105.034624	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-H"	-1.007276
"52469"	228.103071	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M-2H+NH4"	16.019271
"490933"	334.144971	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M-2H+NH4"	16.019271
"868733"	122.061171	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-2H+NH4"	16.019271
"32746"	233.058466	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M-2H+Na"	20.974666
"473400"	339.100366	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M-2H+Na"	20.974666
"859470"	127.016566	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-2H+Na"	20.974666
"1622806"	127.016566	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Na-2H"	20.974666
"105536"	123.022963	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M-H+Cl"	33.962126
"540724"	176.043913	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M-H+Cl"	33.962126
"934238"	70.002013	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-H+Cl"	33.962126
"282564"	247.053202	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+Cl"	34.969402
"674331"	353.095102	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+Cl"	34.969402
"1286367"	141.011302	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Cl"	34.969402
"31345"	249.032406	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M-2H+K"	36.948606
"471373"	355.074306	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M-2H+K"	36.948606
"848120"	142.990506	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-2H+K"	36.948606
"1570512"	142.990506	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+K-2H"	36.948606
"957666"	151.040094	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-H+HCOOH"	44.998194
"371506"	257.082001	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+HCOOH-H"	44.998201
"351013"	271.097651	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+Hac-H"	59.013851
"1502033"	165.055751	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Hac-H"	59.013851
"967391"	173.022051	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-H+NaCOOH"	66.980151
"115201"	141.011302	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+2Cl"	69.938804
"558042"	194.032252	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+2Cl"	69.938804
"1024654"	87.990352	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2Cl"	69.938804
"1248609"	184.960785	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Br"	78.918885
"1307775"	187.016772	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Cl+HCOOH"	80.974872
"1321991"	208.998729	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Cl+NaCOOH"	102.956829
"920708"	219.027486	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M-H+CF3COOH"	112.985586
"1298510"	255.004164	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Cl+CF3COOH"	148.962264
"1375581"	71.029224	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H-2H2O"	-35.012676
"1395632"	89.0392	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H-H2O"	-17.0027
"298354"	213.091076	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+H"	1.007276
"690545"	319.132976	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+H"	1.007276
"1363732"	107.049176	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H"	1.007276
"140998"	107.049176	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+2H"	2.014552
"579827"	160.070126	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+2H"	2.014552
"1050084"	54.028226	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2H"	2.014552
"216159"	71.701876	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+3H"	3.021828
"656813"	107.049176	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+3H"	3.021828
"1177855"	36.354576	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+3H"	3.021828
"433835"	230.117623	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+NH4"	18.033823
"792642"	336.159523	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+NH4"	18.033823
"1688973"	124.075723	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+NH4"	18.033823
"337251"	115.5624495	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+H+NH4"	19.041099
"730765"	168.5833995	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+H+NH4"	19.041099
"1488957"	62.5414995	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H+NH4"	19.041099
"402172"	235.073018	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+Na"	22.989218
"766446"	341.114918	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+Na"	22.989218
"1613465"	129.031118	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Na"	22.989218
"319128"	118.040147	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+H+Na"	23.996494
"713733"	171.061097	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+H+Na"	23.996494
"1467553"	65.019197	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H+Na"	23.996494
"1054600"	43.68189	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2H+Na"	25.00377
"1258463"	139.075386	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+CH3OH+H"	33.033486
"384338"	251.046958	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+K"	38.963158
"750803"	357.088858	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+K"	38.963158
"1550674"	145.005058	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+K"	38.963158
"307845"	126.027117	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+H+K"	39.970434
"704639"	179.048067	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+H+K"	39.970434
"1457363"	73.006167	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H+K"	39.970434
"247060"	254.117626	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+ACN+H"	42.033826
"1220861"	148.075726	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+ACN+H"	42.033826
"1203650"	74.541501	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+ACN+2H"	43.041102
"195427"	257.05496	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+2Na-H"	44.97116
"639362"	363.09686	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+2Na-H"	44.97116
"1138494"	151.01306	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2Na-H"	44.97116
"179598"	129.031118	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+2Na"	45.978436
"620253"	182.052068	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+2Na"	45.978436
"1118290"	76.010168	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2Na"	45.978436
"1406189"	51.009204	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H+2Na"	46.985712
"1443771"	153.054646	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H+HCOOH"	47.012746
"232379"	134.06414	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+3H2O+2H"	56.04448
"1518258"	167.10669	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+IsoProp+H"	61.06479
"420129"	137.018088	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+Na+K"	61.952376
"781123"	190.039038	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+Na+K"	61.952376
"1674174"	83.997138	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Na+K"	61.952376
"262879"	276.099568	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+ACN+Na"	64.015768
"1226837"	170.057668	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+ACN+Na"	64.015768
"1716818"	170.081193	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+NH4+HCOOH"	64.039293
"1179252"	58.336518	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+3Na"	68.967654
"1650240"	175.036588	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Na+HCOOH"	68.994688
"158561"	289.00284	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+2K-H"	76.91904
"597385"	395.04474	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+2K-H"	76.91904
"1084651"	182.96094	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2K-H"	76.91904
"141526"	145.005058	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"2M+2K"	77.926316
"581449"	198.026008	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"3M+2K"	77.926316
"1079210"	91.984108	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2K"	77.926316
"1115106"	184.975492	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2K+H"	78.933592
"1349901"	185.063107	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+DMSO+H"	79.021207
"1020133"	189.102276	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2ACN+H"	83.060376
"1536191"	190.095908	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+IsoProp+Na+H"	84.054008
"997543"	95.054776	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+2ACN+2H"	84.067652
"1598605"	191.010528	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+K+HCOOH"	84.968628
"1429369"	221.042038	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+H+CF3COOH"	115.000138
"1158926"	115.568051	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+3ACN+2H"	125.094202
"1706291"	238.068585	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+NH4+CF3COOH"	132.026685
"1649596"	243.02398	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+Na+CF3COOH"	136.98208
"1586340"	258.99792	"C00193"	"Aromatic aldehyde"	"C7H6O"	"106.0419"	"M+K+CF3COOH"	152.95602
"806863"	1578.6583	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M"	0
"982583"	1559.63991	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-H2O-H"	-19.01839
"63897"	1051.43159066667	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M-3H"	-3.021828
"503820"	1577.651024	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M-3H"	-3.021828
"880157"	525.212157333333	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-3H"	-3.021828
"478"	1577.651024	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M-2H"	-2.014552
"440402"	2366.980174	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M-2H"	-2.014552
"817671"	788.321874	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-2H"	-2.014552
"79244"	3156.309324	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M-H"	-1.007276
"519280"	4734.967624	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M-H"	-1.007276
"901485"	1577.651024	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-H"	-1.007276
"54767"	3173.335871	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M-2H+NH4"	16.019271
"489341"	4751.994171	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M-2H+NH4"	16.019271
"868843"	1594.677571	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-2H+NH4"	16.019271
"32613"	3178.291266	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M-2H+Na"	20.974666
"472538"	4756.949566	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M-2H+Na"	20.974666
"857393"	1599.632966	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-2H+Na"	20.974666
"1622916"	1599.632966	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Na-2H"	20.974666
"99085"	1595.639363	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M-H+Cl"	33.962126
"540834"	2384.968513	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M-H+Cl"	33.962126
"938723"	806.310213	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-H+Cl"	33.962126
"281901"	3192.286002	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+Cl"	34.969402
"674683"	4770.944302	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+Cl"	34.969402
"1285384"	1613.627702	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Cl"	34.969402
"29772"	3194.265206	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M-2H+K"	36.948606
"470790"	4772.923506	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M-2H+K"	36.948606
"848419"	1615.606906	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-2H+K"	36.948606
"1567703"	1615.606906	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+K-2H"	36.948606
"956679"	1623.656494	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-H+HCOOH"	44.998194
"371614"	3202.314801	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+HCOOH-H"	44.998201
"351125"	3216.330451	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+Hac-H"	59.013851
"1501052"	1637.672151	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Hac-H"	59.013851
"970417"	1645.638451	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-H+NaCOOH"	66.980151
"117501"	1613.627702	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+2Cl"	69.938804
"555966"	2402.956852	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+2Cl"	69.938804
"1022942"	824.298552	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2Cl"	69.938804
"1241910"	1657.577185	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Br"	78.918885
"1305694"	1659.633172	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Cl+HCOOH"	80.974872
"1321007"	1681.615129	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Cl+NaCOOH"	102.956829
"925193"	1691.643886	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M-H+CF3COOH"	112.985586
"1298620"	1727.620564	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Cl+CF3COOH"	148.962264
"1375691"	1543.645624	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H-2H2O"	-35.012676
"1395742"	1561.6556	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H-H2O"	-17.0027
"297385"	3158.323876	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+H"	1.007276
"690656"	4736.982176	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+H"	1.007276
"1363478"	1579.665576	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H"	1.007276
"140749"	1579.665576	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+2H"	2.014552
"579572"	2368.994726	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+2H"	2.014552
"1050559"	790.336426	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2H"	2.014552
"215905"	1053.44614266667	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+3H"	3.021828
"656923"	1579.665576	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+3H"	3.021828
"1169581"	527.226709333333	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+3H"	3.021828
"433945"	3175.350423	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+NH4"	18.033823
"794939"	4754.008723	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+NH4"	18.033823
"1689083"	1596.692123	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+NH4"	18.033823
"337361"	1588.1788495	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+H+NH4"	19.041099
"733062"	2377.5079995	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+H+NH4"	19.041099
"1487974"	798.8496995	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H+NH4"	19.041099
"402282"	3180.305818	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+Na"	22.989218
"765463"	4758.964118	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+Na"	22.989218
"1608108"	1601.647518	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Na"	22.989218
"321424"	1590.656547	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+H+Na"	23.996494
"712749"	2379.985697	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+H+Na"	23.996494
"1467663"	801.327397	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H+Na"	23.996494
"1053981"	534.554023333333	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2H+Na"	25.00377
"1257167"	1611.691786	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+CH3OH+H"	33.033486
"386634"	3196.279758	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+K"	38.963158
"750912"	4774.938058	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+K"	38.963158
"1549691"	1617.621458	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+K"	38.963158
"309048"	1598.643517	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+H+K"	39.970434
"698188"	2387.972667	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+H+K"	39.970434
"1454193"	809.314367	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H+K"	39.970434
"243889"	3199.350426	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+ACN+H"	42.033826
"1217691"	1620.692126	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+ACN+H"	42.033826
"1202667"	810.849701	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+ACN+2H"	43.041102
"191162"	3202.28776	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+2Na-H"	44.97116
"636192"	4780.94606	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+2Na-H"	44.97116
"1137511"	1623.62946	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2Na-H"	44.97116
"177885"	1601.647518	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+2Na"	45.978436
"620363"	2390.976668	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+2Na"	45.978436
"1118400"	812.318368	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2Na"	45.978436
"1406297"	541.881337333333	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H+2Na"	46.985712
"1440601"	1625.671046	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H+HCOOH"	47.012746
"228115"	1606.68054	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+3H2O+2H"	56.04448
"1517272"	1639.72309	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+IsoProp+H"	61.06479
"415865"	1609.634488	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+Na+K"	61.952376
"779045"	2398.963638	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+Na+K"	61.952376
"1672097"	820.305338	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Na+K"	61.952376
"258615"	3221.332368	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+ACN+Na"	64.015768
"1228040"	1642.674068	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+ACN+Na"	64.015768
"1716198"	1642.697593	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+NH4+HCOOH"	64.039293
"1178503"	549.208651333333	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+3Na"	68.967654
"1649867"	1647.652988	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Na+HCOOH"	68.994688
"157362"	3234.23564	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+2K-H"	76.91904
"597493"	4812.89394	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+2K-H"	76.91904
"1084228"	1655.57734	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2K-H"	76.91904
"141452"	1617.621458	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"2M+2K"	77.926316
"581543"	2406.950608	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"3M+2K"	77.926316
"1081506"	828.292308	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2K"	77.926316
"1115607"	1657.591892	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2K+H"	78.933592
"1348918"	1657.679507	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+DMSO+H"	79.021207
"1019271"	1661.718676	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2ACN+H"	83.060376
"1536665"	1662.712308	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+IsoProp+Na+H"	84.054008
"998747"	831.362976	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+2ACN+2H"	84.067652
"1596529"	1663.626928	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+K+HCOOH"	84.968628
"1429115"	1693.658438	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+H+CF3COOH"	115.000138
"1161588"	851.876251	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+3ACN+2H"	125.094202
"1709681"	1710.684985	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+NH4+CF3COOH"	132.026685
"1649465"	1715.64038	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+Na+CF3COOH"	136.98208
"1586450"	1731.61432	"C00194"	"Cobamide coenzyme;Adenosylcobalamin;Adenosylcob(III)alamin;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;56-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;(5-Deoxy-5-adenosyl)cobamide coenzyme;(56-Dimethylbenzimidazolyl)cobamide coenzyme;alpha-(56-Dimethylbenzimidazolyl)cobamide coenzyme;5-Deoxy-5-adenosylcobalamin;5-Deoxy-5-adenosyl vitamin B12;5-Deoxy-5-adenosyl-56-dimethylbenzimidazolylcobamide;56-Dimethylbenzimidazolyl-Co-5-deoxy-5-adenosylcobamide;Calomide;Cobalamin coenzyme;Coenzyme B12;DMBC coenzyme;Dibencozide;Funacomide"	"C72H100CoN18O17P"	"1578.6583"	"M+K+CF3COOH"	152.95602
"813535"	154.0266	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M"	0
"984879"	135.00821	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-H2O-H"	-19.01839
"66557"	101.677124	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M-3H"	-3.021828
"506116"	153.019324	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M-3H"	-3.021828
"880636"	50.334924	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-3H"	-3.021828
"2493"	153.019324	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M-2H"	-2.014552
"441323"	230.032624	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M-2H"	-2.014552
"819857"	76.006024	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-2H"	-2.014552
"80943"	307.045924	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M-H"	-1.007276
"533277"	461.072524	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M-H"	-1.007276
"902690"	153.019324	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-H"	-1.007276
"55970"	324.072471	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M-2H+NH4"	16.019271
"492247"	478.099071	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M-2H+NH4"	16.019271
"867498"	170.045871	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-2H+NH4"	16.019271
"40140"	329.027866	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M-2H+Na"	20.974666
"481887"	483.054466	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M-2H+Na"	20.974666
"860783"	175.001266	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-2H+Na"	20.974666
"1630323"	175.001266	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Na-2H"	20.974666
"102478"	171.007663	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M-H+Cl"	33.962126
"546411"	248.020963	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M-H+Cl"	33.962126
"937740"	93.994363	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-H+Cl"	33.962126
"281404"	343.022602	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+Cl"	34.969402
"673460"	497.049202	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+Cl"	34.969402
"1287326"	188.996002	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Cl"	34.969402
"31398"	345.001806	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M-2H+K"	36.948606
"471272"	499.028406	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M-2H+K"	36.948606
"848362"	190.975206	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-2H+K"	36.948606
"1571257"	190.975206	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+K-2H"	36.948606
"958328"	199.024794	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-H+HCOOH"	44.998194
"369539"	353.051401	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+HCOOH-H"	44.998201
"357800"	367.067051	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+Hac-H"	59.013851
"1500068"	213.040451	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Hac-H"	59.013851
"969434"	221.006751	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-H+NaCOOH"	66.980151
"116518"	188.996002	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+2Cl"	69.938804
"556077"	266.009302	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+2Cl"	69.938804
"1027063"	111.982702	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2Cl"	69.938804
"1246641"	232.945485	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Br"	78.918885
"1309092"	235.001472	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Cl+HCOOH"	80.974872
"1332788"	256.983429	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Cl+NaCOOH"	102.956829
"924942"	267.012186	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M-H+CF3COOH"	112.985586
"1302381"	302.988864	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Cl+CF3COOH"	148.962264
"1378720"	119.013924	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H-2H2O"	-35.012676
"1397930"	137.0239	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H-H2O"	-17.0027
"297741"	309.060476	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+H"	1.007276
"691092"	463.087076	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+H"	1.007276
"1365778"	155.033876	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H"	1.007276
"140125"	155.033876	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+2H"	2.014552
"578955"	232.047176	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+2H"	2.014552
"1049576"	78.020576	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2H"	2.014552
"216014"	103.691676	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+3H"	3.021828
"652657"	155.033876	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+3H"	3.021828
"1175159"	52.349476	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+3H"	3.021828
"428222"	326.087023	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+NH4"	18.033823
"791769"	480.113623	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+NH4"	18.033823
"1691380"	172.060423	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+NH4"	18.033823
"339658"	163.5471495	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+H+NH4"	19.041099
"735359"	240.5604495	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+H+NH4"	19.041099
"1485902"	86.5338495	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H+NH4"	19.041099
"404216"	331.042418	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+Na"	22.989218
"767775"	485.069018	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+Na"	22.989218
"1617089"	177.015818	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Na"	22.989218
"323357"	166.024847	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+H+Na"	23.996494
"713951"	243.038147	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+H+Na"	23.996494
"1469963"	89.011547	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H+Na"	23.996494
"1061018"	59.67679	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2H+Na"	25.00377
"1265987"	187.060086	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+CH3OH+H"	33.033486
"385654"	347.016358	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+K"	38.963158
"744464"	501.042958	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+K"	38.963158
"1544696"	192.989758	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+K"	38.963158
"303691"	174.011817	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+H+K"	39.970434
"695018"	251.025117	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+H+K"	39.970434
"1455397"	96.998517	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H+K"	39.970434
"245822"	350.087026	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+ACN+H"	42.033826
"1217800"	196.060426	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+ACN+H"	42.033826
"1197309"	98.533851	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+ACN+2H"	43.041102
"197836"	353.02436	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+2Na-H"	44.97116
"638490"	507.05096	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+2Na-H"	44.97116
"1141995"	198.99776	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2Na-H"	44.97116
"180911"	177.015818	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+2Na"	45.978436
"620472"	254.029118	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+2Na"	45.978436
"1123978"	100.002518	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2Na"	45.978436
"1406407"	67.004104	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H+2Na"	46.985712
"1439627"	201.039346	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H+HCOOH"	47.012746
"231508"	182.04884	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+3H2O+2H"	56.04448
"1519569"	215.09139	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+IsoProp+H"	61.06479
"417069"	185.002788	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+Na+K"	61.952376
"781710"	262.016088	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+Na+K"	61.952376
"1672208"	107.989488	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Na+K"	61.952376
"255447"	372.068968	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+ACN+Na"	64.015768
"1228153"	218.042368	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+ACN+Na"	64.015768
"1718495"	218.065893	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+NH4+HCOOH"	64.039293
"1182032"	74.331418	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+3Na"	68.967654
"1650379"	223.021288	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Na+HCOOH"	68.994688
"158422"	384.97224	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+2K-H"	76.91904
"597984"	538.99884	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+2K-H"	76.91904
"1085891"	230.94564	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2K-H"	76.91904
"148792"	192.989758	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"2M+2K"	77.926316
"590541"	270.003058	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"3M+2K"	77.926316
"1076159"	115.976458	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2K"	77.926316
"1109366"	232.960192	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2K+H"	78.933592
"1346844"	233.047807	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+DMSO+H"	79.021207
"1019746"	237.086976	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2ACN+H"	83.060376
"1533500"	238.080608	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+IsoProp+Na+H"	84.054008
"997762"	119.047126	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+2ACN+2H"	84.067652
"1595547"	238.995228	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+K+HCOOH"	84.968628
"1426674"	269.026738	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+H+CF3COOH"	115.000138
"1162067"	139.560401	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+3ACN+2H"	125.094202
"1711983"	286.053285	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+NH4+CF3COOH"	132.026685
"1648726"	291.00868	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+Na+CF3COOH"	136.98208
"1586561"	306.98262	"C00196"	"23-Dihydroxybenzoate;23-Dihydroxybenzoic acid"	"C7H6O4"	"154.0266"	"M+K+CF3COOH"	152.95602
"812552"	185.9929	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M"	0
"976242"	166.97451	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H2O-H"	-19.01839
"63062"	122.987990666667	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-3H"	-3.021828
"503186"	184.985624	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-3H"	-3.021828
"880051"	60.9903573333333	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-3H"	-3.021828
"168"	184.985624	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H"	-2.014552
"440572"	277.982074	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H"	-2.014552
"819237"	91.989174	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H"	-2.014552
"80201"	370.978524	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-H"	-1.007276
"533019"	556.971424	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-H"	-1.007276
"901706"	184.985624	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H"	-1.007276
"53164"	388.005071	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H+NH4"	16.019271
"492357"	573.997971	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H+NH4"	16.019271
"868701"	202.012171	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H+NH4"	16.019271
"41343"	392.960466	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H+Na"	20.974666
"478718"	578.953366	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H+Na"	20.974666
"859800"	206.967566	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H+Na"	20.974666
"1631530"	206.967566	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na-2H"	20.974666
"104774"	202.973963	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-H+Cl"	33.962126
"542146"	295.970413	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-H+Cl"	33.962126
"940403"	109.977513	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+Cl"	33.962126
"280779"	406.955202	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Cl"	34.969402
"671013"	592.948102	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+Cl"	34.969402
"1286343"	220.962302	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl"	34.969402
"29262"	408.934406	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H+K"	36.948606
"470279"	594.927306	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H+K"	36.948606
"847354"	222.941506	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H+K"	36.948606
"1569748"	222.941506	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K-2H"	36.948606
"956900"	230.991094	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+HCOOH"	44.998194
"366368"	416.984001	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+HCOOH-H"	44.998201
"352439"	430.999651	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Hac-H"	59.013851
"1497991"	245.006751	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Hac-H"	59.013851
"963346"	252.973051	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+NaCOOH"	66.980151
"118813"	220.962302	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2Cl"	69.938804
"556187"	313.958752	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2Cl"	69.938804
"1026079"	127.965852	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2Cl"	69.938804
"1244563"	264.911785	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Br"	78.918885
"1309202"	266.967772	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl+HCOOH"	80.974872
"1333627"	288.949729	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl+NaCOOH"	102.956829
"925782"	298.978486	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+CF3COOH"	112.985586
"1302856"	334.955164	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl+CF3COOH"	148.962264
"1379922"	150.980224	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H-2H2O"	-35.012676
"1398046"	168.9902	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H-H2O"	-17.0027
"298259"	372.993076	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H"	1.007276
"690268"	558.985976	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H"	1.007276
"1366015"	187.000176	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H"	1.007276
"140236"	187.000176	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2H"	2.014552
"580766"	279.996626	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2H"	2.014552
"1051143"	94.003726	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2H"	2.014552
"216852"	125.002542666667	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+3H"	3.021828
"652767"	187.000176	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+3H"	3.021828
"1174904"	63.0049093333333	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+3H"	3.021828
"429061"	390.019623	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+NH4"	18.033823
"795159"	576.012523	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+NH4"	18.033823
"1694771"	204.026723	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+NH4"	18.033823
"340861"	195.5134495	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H+NH4"	19.041099
"735469"	288.5098995	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H+NH4"	19.041099
"1488928"	102.5169995	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+NH4"	19.041099
"406150"	394.975018	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Na"	22.989218
"763144"	580.967918	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+Na"	22.989218
"1617202"	208.982118	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na"	22.989218
"322737"	197.991147	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H+Na"	23.996494
"712968"	290.987597	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H+Na"	23.996494
"1467883"	104.994697	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+Na"	23.996494
"1061128"	70.3322233333333	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2H+Na"	25.00377
"1266094"	219.026386	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+CH3OH+H"	33.033486
"388679"	410.948958	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+K"	38.963158
"746760"	596.941858	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+K"	38.963158
"1546624"	224.956058	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K"	38.963158
"308174"	205.978117	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H+K"	39.970434
"697314"	298.974567	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H+K"	39.970434
"1453321"	112.981667	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+K"	39.970434
"243019"	414.019626	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+ACN+H"	42.033826
"1220097"	228.026726	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+ACN+H"	42.033826
"1198512"	114.517001	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+ACN+2H"	43.041102
"199039"	416.95696	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2Na-H"	44.97116
"636413"	602.94986	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2Na-H"	44.97116
"1142105"	230.96406	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2Na-H"	44.97116
"181021"	208.982118	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2Na"	45.978436
"620582"	301.978568	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2Na"	45.978436
"1122994"	115.985668	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2Na"	45.978436
"1406517"	77.6595373333333	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+2Na"	46.985712
"1443017"	233.005646	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+HCOOH"	47.012746
"231618"	214.01514	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+3H2O+2H"	56.04448
"1521503"	247.05769	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+IsoProp+H"	61.06479
"419368"	216.969088	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Na+K"	61.952376
"781455"	309.965538	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+Na+K"	61.952376
"1672318"	123.972638	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na+K"	61.952376
"258837"	436.001568	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+ACN+Na"	64.015768
"1228263"	250.008668	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+ACN+Na"	64.015768
"1717877"	250.032193	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+NH4+HCOOH"	64.039293
"1180682"	84.9868513333333	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+3Na"	68.967654
"1650330"	254.987588	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na+HCOOH"	68.994688
"158166"	448.90484	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2K-H"	76.91904
"597364"	634.89774	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2K-H"	76.91904
"1084339"	262.91194	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2K-H"	76.91904
"146715"	224.956058	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2K"	77.926316
"590651"	317.952508	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2K"	77.926316
"1079548"	131.959608	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2K"	77.926316
"1111662"	264.926492	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2K+H"	78.933592
"1345859"	265.014107	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+DMSO+H"	79.021207
"1018762"	269.053276	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2ACN+H"	83.060376
"1533611"	270.046908	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+IsoProp+Na+H"	84.054008
"997873"	135.030276	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2ACN+2H"	84.067652
"1596749"	270.961528	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K+HCOOH"	84.968628
"1426784"	300.993038	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+CF3COOH"	115.000138
"1161450"	155.543551	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+3ACN+2H"	125.094202
"1712216"	318.019585	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+NH4+CF3COOH"	132.026685
"1648471"	322.97498	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na+CF3COOH"	136.98208
"1586671"	338.94892	"C00197"	"3-Phospho-D-glycerate;D-Glycerate 3-phosphate;3-Phospho-(R)-glycerate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K+CF3COOH"	152.95602
"810475"	178.0477	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M"	0
"978538"	159.02931	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"63862"	117.691190666667	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"505242"	177.040424	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"881222"	58.3419573333333	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"761"	177.040424	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"440324"	266.064274	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"817641"	88.016574	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"79457"	355.088124	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"524010"	533.135824	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"904001"	177.040424	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51448"	372.114671	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"493560"	550.162371	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"869175"	194.066971	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"41452"	377.070066	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"482107"	555.117766	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"858816"	199.022366	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1630543"	199.022366	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"105977"	195.028763	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"548454"	284.052613	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"942218"	106.004913	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"279795"	391.064802	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"675504"	569.112502	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1287547"	213.017102	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"30954"	393.044006	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"470389"	571.091706	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"848034"	214.996306	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1569493"	214.996306	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"955917"	223.045894	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"368665"	401.093601	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"351456"	415.109251	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1498101"	237.061551	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"973422"	245.027851	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"123665"	213.017102	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"564320"	302.040952	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1030565"	123.993252	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1255611"	256.966585	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1309312"	259.022572	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1335362"	281.004529	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"926909"	291.033286	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1302239"	327.009964	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1382507"	143.035024	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1396803"	161.045	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"297596"	357.102676	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"690380"	535.150376	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1365637"	179.054976	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"140593"	179.054976	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"580030"	268.078826	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1050167"	90.031126	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"218791"	119.705742666667	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"658592"	179.054976	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1177933"	60.3565093333333	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"436830"	374.129223	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"795273"	552.176923	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1694518"	196.081523	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"343526"	187.5682495	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"737406"	276.5920995	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1489039"	98.5443995	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"408413"	379.084618	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"762525"	557.132318	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1617796"	201.036918	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"322847"	190.045947	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"716360"	279.069797	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1467992"	101.022097	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1060144"	67.6838233333333	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1267297"	211.081186	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"391339"	395.058558	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"747962"	573.106258	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1547827"	217.010858	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"306096"	198.032917	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"696330"	287.056767	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1452338"	109.009067	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"245315"	398.129226	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1219116"	220.081526	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1201903"	110.544401	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"199149"	401.06656	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"641991"	579.11426	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1143310"	223.01886	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"180039"	201.036918	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"625068"	290.060768	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1124198"	112.013068	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1407722"	75.0111373333333	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1442033"	225.060446	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"232820"	206.06994	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1518696"	239.11249	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"421662"	209.023888	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"782657"	298.047738	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1675708"	120.000038	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"262227"	420.111168	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1228740"	242.063468	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1716530"	242.086993	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1180796"	82.3384513333333	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1653605"	247.042388	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"157428"	433.01444	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"600027"	611.06214	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1084414"	254.96674	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"146825"	217.010858	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"590761"	306.034708	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1079655"	127.987008	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1115419"	256.981292	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1348154"	257.068907	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1019963"	261.108076	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1534816"	262.101708	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1004419"	131.057676	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1601839"	263.016328	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1426894"	293.047838	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1158273"	151.570951	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1711963"	310.074385	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1648946"	315.02978	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1586781"	331.00372	"C00198"	"D-Glucono-15-lactone;Gluconic lactone;Gluconic acid lactone;15-Gluconolactone;delta-Gluconolactone;D-Gluconolactone;Gluconolactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"810585"	230.0192	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"980837"	211.00081	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"66162"	152.338857333333	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"504140"	229.011924	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"881697"	75.6657906666667	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"1851"	229.011924	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"440395"	344.021524	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"817348"	114.002324	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"82372"	459.031124	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"525214"	689.050324	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"905206"	229.011924	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"55206"	476.057671	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"494768"	706.076871	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"879255"	246.038471	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"41564"	481.013066	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"486730"	711.032266	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"864041"	250.993866	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1632965"	250.993866	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"109979"	247.000263	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"549940"	362.009863	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"942657"	131.990663	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"281612"	495.007802	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"674888"	725.027002	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1288432"	264.988602	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"30213"	496.987006	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"471346"	727.006206	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"846479"	266.967806	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1571273"	266.967806	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"957732"	275.017394	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"373149"	505.036601	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"354846"	519.052251	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1502585"	289.033051	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"973168"	296.999351	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"125478"	264.988602	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"564065"	379.998202	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1030675"	149.979002	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1255721"	308.938085	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1309422"	310.994072	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1333847"	332.976029	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"927049"	343.004786	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1302713"	378.981464	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1380148"	195.006524	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1396551"	213.0165	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"298528"	461.045676	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"691018"	691.064876	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1365747"	231.026476	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"138634"	231.026476	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"580872"	346.036076	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1050280"	116.016876	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"218906"	154.353409333333	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"659438"	231.026476	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1177321"	77.6803426666667	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"439134"	478.072223	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"798666"	708.091423	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1695361"	248.053023	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"343272"	239.5397495	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"738210"	354.5493495	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1489513"	124.5301495	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"397257"	483.027618	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"769697"	713.046818	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1618374"	253.008418	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"329158"	242.017447	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"722188"	357.027047	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1473575"	127.007847	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1061353"	85.0076566666667	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1265220"	263.052686	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"392180"	499.001558	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"748072"	729.020758	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1547938"	268.982358	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"311680"	250.004417	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"704097"	365.014017	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1456826"	134.994817	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"249799"	502.072226	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1220320"	272.053026	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1209064"	136.530151	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"200354"	505.00956	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"643805"	735.02876	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1146582"	274.99036	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"185624"	253.008418	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"627002"	368.018018	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1124310"	137.998818	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1408927"	92.3349706666667	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1441050"	277.031946	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"234026"	258.04144	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1520996"	291.08399	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"417401"	260.995388	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"783497"	376.004988	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1674729"	145.985788	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"255779"	524.054168	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1226662"	294.034968	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1714457"	294.058493	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1190386"	99.6622846666667	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1653717"	299.013888	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"163859"	536.95744	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"608887"	766.97664	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1091212"	306.93824	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"151311"	268.982358	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"590871"	383.991958	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1081832"	153.972758	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1111880"	308.952792	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1350087"	309.040407	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1021216"	313.079576	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1536019"	314.073208	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"1003558"	157.043426	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1601829"	314.987828	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1429191"	345.019338	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1160569"	177.556701	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1712552"	362.045885	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1649422"	367.00128	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1586890"	382.97522	"C00199"	"D-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"809602"	306.0674	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M"	0
"978760"	287.04901	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-H2O-H"	-19.01839
"63356"	203.037657333333	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M-3H"	-3.021828
"502977"	305.060124	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M-3H"	-3.021828
"879946"	101.015190666667	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-3H"	-3.021828
"71"	305.060124	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M-2H"	-2.014552
"439993"	458.093824	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M-2H"	-2.014552
"817174"	152.026424	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-2H"	-2.014552
"80292"	611.127524	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M-H"	-1.007276
"518534"	917.194924	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M-H"	-1.007276
"900573"	305.060124	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-H"	-1.007276
"50212"	628.154071	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M-2H+NH4"	16.019271
"494878"	934.221471	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M-2H+NH4"	16.019271
"877784"	322.086671	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-2H+NH4"	16.019271
"40581"	633.109466	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M-2H+Na"	20.974666
"487009"	939.176866	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M-2H+Na"	20.974666
"862320"	327.042066	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-2H+Na"	20.974666
"1634086"	327.042066	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Na-2H"	20.974666
"109604"	323.048463	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M-H+Cl"	33.962126
"548202"	476.082163	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M-H+Cl"	33.962126
"942639"	170.014763	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-H+Cl"	33.962126
"282330"	647.104202	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+Cl"	34.969402
"675363"	953.171602	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+Cl"	34.969402
"1288466"	341.036802	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Cl"	34.969402
"31304"	649.083406	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M-2H+K"	36.948606
"471286"	955.150806	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M-2H+K"	36.948606
"848299"	343.016006	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-2H+K"	36.948606
"1571291"	343.016006	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+K-2H"	36.948606
"957234"	351.065594	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-H+HCOOH"	44.998194
"372166"	657.133001	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+HCOOH-H"	44.998201
"354956"	671.148651	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+Hac-H"	59.013851
"1502695"	365.081251	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Hac-H"	59.013851
"972670"	373.047551	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-H+NaCOOH"	66.980151
"125429"	341.036802	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+2Cl"	69.938804
"565147"	494.070502	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+2Cl"	69.938804
"1030785"	188.003102	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2Cl"	69.938804
"1255467"	384.986285	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Br"	78.918885
"1309532"	387.042272	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Cl+HCOOH"	80.974872
"1333589"	409.024229	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Cl+NaCOOH"	102.956829
"926975"	419.052986	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M-H+CF3COOH"	112.985586
"1303918"	455.029664	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Cl+CF3COOH"	148.962264
"1380622"	271.054724	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H-2H2O"	-35.012676
"1396296"	289.0647	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H-H2O"	-17.0027
"298219"	613.142076	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+H"	1.007276
"690603"	919.209476	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+H"	1.007276
"1365859"	307.074676	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H"	1.007276
"139474"	307.074676	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+2H"	2.014552
"580131"	460.108376	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+2H"	2.014552
"1050754"	154.040976	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2H"	2.014552
"218646"	205.052209333333	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+3H"	3.021828
"657843"	307.074676	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+3H"	3.021828
"1177915"	103.029742666667	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+3H"	3.021828
"439773"	630.168623	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+NH4"	18.033823
"800357"	936.236023	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+NH4"	18.033823
"1694014"	324.101223	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+NH4"	18.033823
"343384"	315.5879495	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+H+NH4"	19.041099
"735805"	468.6216495	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+H+NH4"	19.041099
"1487436"	162.5542495	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H+NH4"	19.041099
"395421"	635.124018	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+Na"	22.989218
"769833"	941.191418	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+Na"	22.989218
"1618327"	329.056618	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Na"	22.989218
"329269"	318.065647	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+H+Na"	23.996494
"722098"	471.099347	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+H+Na"	23.996494
"1473685"	165.031947	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H+Na"	23.996494
"1063649"	110.357056666667	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2H+Na"	25.00377
"1263143"	339.100886	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+CH3OH+H"	33.033486
"389373"	651.097958	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+K"	38.963158
"745995"	957.165358	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+K"	38.963158
"1550234"	345.030558	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+K"	38.963158
"313936"	326.052617	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+H+K"	39.970434
"704207"	479.086317	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+H+K"	39.970434
"1458028"	173.018917	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H+K"	39.970434
"249545"	654.168626	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+ACN+H"	42.033826
"1221524"	348.101226	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+ACN+H"	42.033826
"1206500"	174.554251	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+ACN+2H"	43.041102
"201557"	657.10596	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+2Na-H"	44.97116
"640026"	963.17336	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+2Na-H"	44.97116
"1144505"	351.03856	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2Na-H"	44.97116
"185732"	329.056618	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+2Na"	45.978436
"624197"	482.090318	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+2Na"	45.978436
"1125513"	176.022918	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2Na"	45.978436
"1409037"	117.684370666667	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H+2Na"	46.985712
"1441160"	353.080146	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H+HCOOH"	47.012746
"231950"	334.08964	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+3H2O+2H"	56.04448
"1523172"	367.13219	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+IsoProp+H"	61.06479
"419333"	337.043588	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+Na+K"	61.952376
"782878"	490.077288	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+Na+K"	61.952376
"1677025"	184.009888	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Na+K"	61.952376
"259169"	676.150568	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+ACN+Na"	64.015768
"1227869"	370.083168	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+ACN+Na"	64.015768
"1714203"	370.106693	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+NH4+HCOOH"	64.039293
"1189403"	125.011684666667	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+3Na"	68.967654
"1656013"	375.062088	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Na+HCOOH"	68.994688
"163970"	689.05384	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+2K-H"	76.91904
"608997"	995.12124	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+2K-H"	76.91904
"1091322"	382.98644	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2K-H"	76.91904
"151421"	345.030558	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"2M+2K"	77.926316
"590981"	498.064258	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"3M+2K"	77.926316
"1082063"	191.996858	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2K"	77.926316
"1114786"	385.000992	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2K+H"	78.933592
"1351261"	385.088607	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+DMSO+H"	79.021207
"1021160"	389.127776	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2ACN+H"	83.060376
"1539286"	390.121408	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+IsoProp+Na+H"	84.054008
"1004643"	195.067526	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+2ACN+2H"	84.067652
"1601696"	391.036028	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+K+HCOOH"	84.968628
"1429764"	421.067538	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+H+CF3COOH"	115.000138
"1160679"	215.580801	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+3ACN+2H"	125.094202
"1712502"	438.094085	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+NH4+CF3COOH"	132.026685
"1649653"	443.04948	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+Na+CF3COOH"	136.98208
"1587000"	459.02342	"C00200"	"Phenazine methosulfate;N-Methylphenazonium methosulfate;5-Methylphenazinium methyl sulphate"	"C13H11N2CH3SO4"	"306.0674"	"M+K+CF3COOH"	152.95602
"807525"	184.0665	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M"	0
"974508"	165.04811	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-H2O-H"	-19.01839
"63461"	121.703724	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M-3H"	-3.021828
"504116"	183.059224	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M-3H"	-3.021828
"880456"	60.348224	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-3H"	-3.021828
"856"	183.059224	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M-2H"	-2.014552
"441880"	275.092474	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M-2H"	-2.014552
"822603"	91.025974	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-2H"	-2.014552
"83686"	367.125724	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M-H"	-1.007276
"522880"	551.192224	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M-H"	-1.007276
"902146"	183.059224	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-H"	-1.007276
"51780"	384.152271	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M-2H+NH4"	16.019271
"491705"	568.218771	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M-2H+NH4"	16.019271
"867318"	200.085771	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-2H+NH4"	16.019271
"40690"	389.107666	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M-2H+Na"	20.974666
"480252"	573.174166	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M-2H+Na"	20.974666
"858058"	205.041166	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-2H+Na"	20.974666
"1630508"	205.041166	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Na-2H"	20.974666
"107399"	201.047563	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M-H+Cl"	33.962126
"539305"	293.080813	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M-H+Cl"	33.962126
"937194"	109.014313	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-H+Cl"	33.962126
"281466"	403.102402	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+Cl"	34.969402
"674742"	587.168902	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+Cl"	34.969402
"1288323"	219.035902	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Cl"	34.969402
"30755"	405.081606	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M-2H+K"	36.948606
"470721"	589.148106	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M-2H+K"	36.948606
"847065"	221.015106	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-2H+K"	36.948606
"1569460"	221.015106	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+K-2H"	36.948606
"950779"	229.064694	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-H+HCOOH"	44.998194
"371913"	413.131201	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+HCOOH-H"	44.998201
"350690"	427.146851	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+Hac-H"	59.013851
"1499525"	243.080351	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Hac-H"	59.013851
"963785"	251.046651	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-H+NaCOOH"	66.980151
"113784"	219.035902	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+2Cl"	69.938804
"552252"	311.069152	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+2Cl"	69.938804
"1027614"	127.002652	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2Cl"	69.938804
"1249379"	262.985385	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Br"	78.918885
"1309642"	265.041372	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Cl+HCOOH"	80.974872
"1335131"	287.023329	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Cl+NaCOOH"	102.956829
"924400"	297.052086	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M-H+CF3COOH"	112.985586
"1302932"	333.028764	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Cl+CF3COOH"	148.962264
"1380731"	149.053824	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H-2H2O"	-35.012676
"1394218"	167.0638	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H-H2O"	-17.0027
"294637"	369.140276	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+H"	1.007276
"689246"	553.206776	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+H"	1.007276
"1366885"	185.073776	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H"	1.007276
"140307"	185.073776	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+2H"	2.014552
"580840"	277.107026	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+2H"	2.014552
"1051581"	93.040526	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2H"	2.014552
"211462"	123.718276	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+3H"	3.021828
"652114"	185.073776	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+3H"	3.021828
"1168053"	62.362776	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+3H"	3.021828
"431324"	386.166823	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+NH4"	18.033823
"789039"	570.233323	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+NH4"	18.033823
"1688648"	202.100323	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+NH4"	18.033823
"335834"	193.5870495	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+H+NH4"	19.041099
"733365"	285.6202995	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+H+NH4"	19.041099
"1485361"	101.5537995	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H+NH4"	19.041099
"405139"	391.122218	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+Na"	22.989218
"760668"	575.188718	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+Na"	22.989218
"1610955"	207.055718	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Na"	22.989218
"320989"	196.064747	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+H+Na"	23.996494
"708306"	288.097997	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+H+Na"	23.996494
"1461400"	104.031497	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H+Na"	23.996494
"1066801"	69.69009	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2H+Na"	25.00377
"1272454"	217.099986	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+CH3OH+H"	33.033486
"391795"	407.096158	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+K"	38.963158
"742824"	591.162658	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+K"	38.963158
"1548158"	223.029658	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+K"	38.963158
"306428"	204.051717	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+H+K"	39.970434
"697755"	296.084967	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+H+K"	39.970434
"1452667"	112.018467	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H+K"	39.970434
"243456"	410.166826	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+ACN+H"	42.033826
"1217257"	226.100326	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+ACN+H"	42.033826
"1200410"	113.553801	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+ACN+2H"	43.041102
"193281"	413.10416	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+2Na-H"	44.97116
"636853"	597.17066	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+2Na-H"	44.97116
"1138171"	229.03766	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2Na-H"	44.97116
"178179"	207.055718	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+2Na"	45.978436
"616281"	299.088968	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+2Na"	45.978436
"1120151"	115.022468	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2Na"	45.978436
"1404781"	77.017404	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H+2Na"	46.985712
"1435802"	231.079246	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H+HCOOH"	47.012746
"224402"	212.08874	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+3H2O+2H"	56.04448
"1513560"	245.13129	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+IsoProp+H"	61.06479
"417984"	215.042688	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+Na+K"	61.952376
"776431"	307.075938	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+Na+K"	61.952376
"1671666"	123.009438	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Na+K"	61.952376
"254905"	432.148768	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+ACN+Na"	64.015768
"1228340"	248.082268	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+ACN+Na"	64.015768
"1713578"	248.105793	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+NH4+HCOOH"	64.039293
"1179663"	84.344718	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+3Na"	68.967654
"1650283"	253.061188	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Na+HCOOH"	68.994688
"158610"	445.05204	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+2K-H"	76.91904
"599262"	629.11854	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+2K-H"	76.91904
"1084242"	260.98554	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2K-H"	76.91904
"152625"	223.029658	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"2M+2K"	77.926316
"595472"	315.062908	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"3M+2K"	77.926316
"1083023"	130.996408	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2K"	77.926316
"1108820"	263.000092	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2K+H"	78.933592
"1348485"	263.087707	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+DMSO+H"	79.021207
"1020419"	267.126876	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2ACN+H"	83.060376
"1535143"	268.120508	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+IsoProp+Na+H"	84.054008
"998312"	134.067076	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+2ACN+2H"	84.067652
"1598283"	269.035128	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+K+HCOOH"	84.968628
"1427222"	299.066638	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+H+CF3COOH"	115.000138
"1158603"	154.580351	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+3ACN+2H"	125.094202
"1710342"	316.093185	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+NH4+CF3COOH"	132.026685
"1642712"	321.04858	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+Na+CF3COOH"	136.98208
"1573989"	337.02252	"C00202"	"Isoflurophate;Diisopropyl fluorophosphate;DFP"	"C6H14FO3P"	"184.0665"	"M+K+CF3COOH"	152.95602
"804357"	607.0816	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M"	0
"974970"	588.06321	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-H2O-H"	-19.01839
"66131"	403.713790666667	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M-3H"	-3.021828
"505689"	606.074324	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M-3H"	-3.021828
"880814"	201.353257333333	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-3H"	-3.021828
"1453"	606.074324	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H"	-2.014552
"441988"	909.615124	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H"	-2.014552
"821984"	302.533524	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H"	-2.014552
"81974"	1213.155924	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M-H"	-1.007276
"521897"	1820.237524	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M-H"	-1.007276
"898241"	606.074324	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-H"	-1.007276
"51892"	1230.182471	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+NH4"	16.019271
"492910"	1837.264071	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+NH4"	16.019271
"867428"	623.100871	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+NH4"	16.019271
"32779"	1235.137866	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+Na"	20.974666
"480362"	1842.219466	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+Na"	20.974666
"862544"	628.056266	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+Na"	20.974666
"1629889"	628.056266	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na-2H"	20.974666
"104231"	624.062663	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M-H+Cl"	33.962126
"543791"	927.603463	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M-H+Cl"	33.962126
"938400"	320.521863	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+Cl"	33.962126
"279873"	1249.132602	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Cl"	34.969402
"672674"	1856.214202	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Cl"	34.969402
"1286170"	642.051002	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl"	34.969402
"29815"	1251.111806	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+K"	36.948606
"470835"	1858.193406	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+K"	36.948606
"847176"	644.030206	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+K"	36.948606
"1568841"	644.030206	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+K-2H"	36.948606
"950889"	652.079794	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+HCOOH"	44.998194
"371659"	1259.161401	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+HCOOH-H"	44.998201
"350800"	1273.177051	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Hac-H"	59.013851
"1499635"	666.095451	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Hac-H"	59.013851
"963895"	674.061751	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+NaCOOH"	66.980151
"114986"	642.051002	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Cl"	69.938804
"553453"	945.591802	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Cl"	69.938804
"1025537"	338.510202	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Cl"	69.938804
"1252771"	686.000485	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Br"	78.918885
"1309752"	688.056472	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+HCOOH"	80.974872
"1334917"	710.038429	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+NaCOOH"	102.956829
"925968"	720.067186	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+CF3COOH"	112.985586
"1302311"	756.043864	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+CF3COOH"	148.962264
"1380112"	572.068924	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H-2H2O"	-35.012676
"1394328"	590.0789	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H-H2O"	-17.0027
"295840"	1215.170476	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H"	1.007276
"689356"	1822.252076	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H"	1.007276
"1363516"	608.088876	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H"	1.007276
"137135"	608.088876	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2H"	2.014552
"578519"	911.629676	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2H"	2.014552
"1050598"	304.548076	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2H"	2.014552
"211572"	405.728342666667	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+3H"	3.021828
"648944"	608.088876	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+3H"	3.021828
"1171443"	203.367809333333	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+3H"	3.021828
"433621"	1232.197023	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+NH4"	18.033823
"790243"	1839.278623	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+NH4"	18.033823
"1688758"	625.115423	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4"	18.033823
"335944"	616.6021495	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+NH4"	19.041099
"734932"	920.1429495	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+NH4"	19.041099
"1483284"	313.0613495	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+NH4"	19.041099
"405981"	1237.152418	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Na"	22.989218
"761872"	1844.234018	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Na"	22.989218
"1607782"	630.070818	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na"	22.989218
"318912"	619.079847	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+Na"	23.996494
"708052"	922.620647	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+Na"	23.996494
"1461693"	315.539047	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+Na"	23.996494
"1067645"	210.695123333333	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2H+Na"	25.00377
"1270658"	640.115086	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+CH3OH+H"	33.033486
"391418"	1253.126358	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+K"	38.963158
"753389"	1860.207958	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+K"	38.963158
"1553741"	646.044758	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+K"	38.963158
"308726"	627.066817	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+K"	39.970434
"701147"	930.607617	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+K"	39.970434
"1456060"	323.526017	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+K"	39.970434
"239556"	1256.197026	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+ACN+H"	42.033826
"1214452"	649.115426	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+H"	42.033826
"1198335"	325.061351	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+2H"	43.041102
"196312"	1259.13436	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Na-H"	44.97116
"634778"	1866.21596	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Na-H"	44.97116
"1137554"	652.05276	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Na-H"	44.97116
"179387"	630.070818	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Na"	45.978436
"616028"	933.611618	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Na"	45.978436
"1121355"	326.530018	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Na"	45.978436
"1405985"	218.022437333333	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+2Na"	46.985712
"1432996"	654.094346	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+HCOOH"	47.012746
"224515"	635.10384	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+3H2O+2H"	56.04448
"1512576"	668.14639	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+IsoProp+H"	61.06479
"414448"	638.057788	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Na+K"	61.952376
"773261"	941.598588	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Na+K"	61.952376
"1670683"	334.516988	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+K"	61.952376
"253917"	1278.178968	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+ACN+Na"	64.015768
"1227113"	671.097368	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+Na"	64.015768
"1718799"	671.120893	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4+HCOOH"	64.039293
"1179779"	225.349751333333	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+3Na"	68.967654
"1658786"	676.076288	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+HCOOH"	68.994688
"162001"	1291.08224	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2K-H"	76.91904
"598280"	1898.16384	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2K-H"	76.91904
"1090448"	684.00064	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K-H"	76.91904
"152735"	646.044758	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2K"	77.926316
"595461"	949.585558	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2K"	77.926316
"1083500"	342.503958	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K"	77.926316
"1108930"	686.015192	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K+H"	78.933592
"1348596"	686.102807	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+DMSO+H"	79.021207
"1017126"	690.141976	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2ACN+H"	83.060376
"1536347"	691.135608	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+IsoProp+Na+H"	84.054008
"998422"	345.574626	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+2ACN+2H"	84.067652
"1594019"	692.050228	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+K+HCOOH"	84.968628
"1425146"	722.081738	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+CF3COOH"	115.000138
"1157621"	366.087901	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+3ACN+2H"	125.094202
"1699518"	739.108285	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4+CF3COOH"	132.026685
"1640634"	744.06368	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+CF3COOH"	136.98208
"1574099"	760.03762	"C00203"	"UDP-N-acetyl-D-galactosamine;UDP-N-acetyl-alpha-D-galactosamine"	"C17H27N3O17P2"	"607.0816"	"M+K+CF3COOH"	152.95602
"813213"	178.0477	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M"	0
"981279"	159.02931	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"70613"	117.691190666667	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"510173"	177.040424	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"883598"	58.3419573333333	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"2536"	177.040424	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"443193"	266.064274	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"825009"	88.016574	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"83541"	355.088124	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"522371"	533.135824	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"901267"	177.040424	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"55648"	372.114671	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"495206"	550.162371	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"869725"	194.066971	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"40910"	377.070066	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"483754"	555.117766	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"859374"	199.022366	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1628906"	199.022366	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"102154"	195.028763	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"547060"	284.052613	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"940576"	106.004913	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"278160"	391.064802	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"673756"	569.112502	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1285184"	213.017102	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"28100"	393.044006	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"469118"	571.091706	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"846919"	214.996306	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1564210"	214.996306	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"952094"	223.045894	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"374686"	401.093601	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"352006"	415.109251	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1497558"	237.061551	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"967286"	245.027851	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"112909"	213.017102	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"551743"	302.040952	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1025647"	123.993252	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1253974"	256.966585	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1310955"	259.022572	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1334903"	281.004529	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"924258"	291.033286	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1300234"	327.009964	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1380102"	143.035024	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1393345"	161.045	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"294857"	357.102676	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"689101"	535.150376	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1364963"	179.054976	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"140525"	179.054976	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"578264"	268.078826	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1049979"	90.031126	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"216422"	119.705742666667	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"652335"	179.054976	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1174833"	60.3565093333333	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"433731"	374.129223	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"789260"	552.176923	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1686682"	196.081523	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"334961"	187.5682495	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"733949"	276.5920995	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1483394"	98.5443995	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"406094"	379.084618	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"763077"	557.132318	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1607894"	201.036918	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"320116"	190.045947	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"708647"	279.069797	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1461483"	101.022097	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1066176"	67.6838233333333	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1272226"	211.081186	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"391528"	395.058558	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"752890"	573.106258	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1554579"	217.010858	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"309929"	198.032917	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"702350"	287.056767	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1456170"	109.009067	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"240030"	398.129226	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1214925"	220.081526	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1200268"	110.544401	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"196422"	401.06656	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"635982"	579.11426	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1137664"	223.01886	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"179497"	201.036918	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"616138"	290.060768	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1122194"	112.013068	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1406095"	75.0111373333333	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1433106"	225.060446	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"224625"	206.06994	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1511590"	239.11249	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"412004"	209.023888	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"772273"	298.047738	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1668603"	120.000038	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"252934"	420.111168	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1227464"	242.063468	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1717816"	242.086993	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1183169"	82.3384513333333	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1657803"	247.042388	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"163204"	433.01444	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"599118"	611.06214	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1089465"	254.96674	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"153938"	217.010858	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"596182"	306.034708	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1084059"	127.987008	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1114024"	256.981292	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1347613"	257.068907	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1016143"	261.108076	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1536459"	262.101708	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"998532"	131.057676	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1595222"	263.016328	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1423070"	293.047838	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1157732"	151.570951	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1705096"	310.074385	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1642932"	315.02978	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1574209"	331.00372	"C00204"	"2-Dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"807857"	411.0345	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M"	0
"980295"	392.01611	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-H2O-H"	-19.01839
"72909"	273.015724	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M-3H"	-3.021828
"510283"	410.027224	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M-3H"	-3.021828
"888085"	136.004224	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-3H"	-3.021828
"9944"	410.027224	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M-2H"	-2.014552
"455669"	615.544474	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M-2H"	-2.014552
"831682"	204.509974	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-2H"	-2.014552
"89486"	821.061724	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M-H"	-1.007276
"525765"	1232.096224	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M-H"	-1.007276
"899556"	410.027224	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-H"	-1.007276
"57943"	838.088271	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M-2H+NH4"	16.019271
"495316"	1249.122771	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M-2H+NH4"	16.019271
"878225"	427.053771	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-2H+NH4"	16.019271
"45397"	843.043666	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M-2H+Na"	20.974666
"482779"	1254.078166	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M-2H+Na"	20.974666
"860579"	432.009166	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-2H+Na"	20.974666
"1625737"	432.009166	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Na-2H"	20.974666
"102265"	428.015563	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M-H+Cl"	33.962126
"541828"	633.532813	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M-H+Cl"	33.962126
"935342"	222.498313	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-H+Cl"	33.962126
"281080"	857.038402	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+Cl"	34.969402
"673987"	1268.072902	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+Cl"	34.969402
"1286389"	446.003902	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Cl"	34.969402
"29669"	859.017606	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M-2H+K"	36.948606
"469593"	1270.052106	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M-2H+K"	36.948606
"845937"	447.983106	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-2H+K"	36.948606
"1570525"	447.983106	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+K-2H"	36.948606
"956578"	456.032694	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-H+HCOOH"	44.998194
"375162"	867.067201	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+HCOOH-H"	44.998201
"359408"	881.082851	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+Hac-H"	59.013851
"1506419"	470.048351	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Hac-H"	59.013851
"970676"	478.014651	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-H+NaCOOH"	66.980151
"122865"	446.003902	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+2Cl"	69.938804
"559145"	651.521152	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+2Cl"	69.938804
"1031225"	240.486652	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2Cl"	69.938804
"1255183"	489.953385	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Br"	78.918885
"1319464"	492.009372	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Cl+HCOOH"	80.974872
"1331850"	513.991329	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Cl+NaCOOH"	102.956829
"923639"	524.020086	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M-H+CF3COOH"	112.985586
"1303855"	559.996764	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Cl+CF3COOH"	148.962264
"1381921"	376.021824	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H-2H2O"	-35.012676
"1398448"	394.0318	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H-H2O"	-17.0027
"298325"	823.076276	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+H"	1.007276
"689575"	1234.110776	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+H"	1.007276
"1366737"	412.041776	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H"	1.007276
"141279"	412.041776	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+2H"	2.014552
"576552"	617.559026	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+2H"	2.014552
"1052407"	206.524526	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2H"	2.014552
"216169"	275.030276	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+3H"	3.021828
"655727"	412.041776	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+3H"	3.021828
"1168385"	138.018776	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+3H"	3.021828
"433844"	840.102823	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+NH4"	18.033823
"790464"	1251.137323	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+NH4"	18.033823
"1691169"	429.068323	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+NH4"	18.033823
"343099"	420.5550495	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+H+NH4"	19.041099
"728593"	626.0722995	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+H+NH4"	19.041099
"1492388"	215.0377995	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H+NH4"	19.041099
"407296"	845.058218	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+Na"	22.989218
"767561"	1256.092718	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+Na"	22.989218
"1610191"	434.023718	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Na"	22.989218
"323507"	423.032747	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+H+Na"	23.996494
"710460"	628.549997	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+H+Na"	23.996494
"1476042"	217.515497	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H+Na"	23.996494
"1067586"	145.34609	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2H+Na"	25.00377
"1271815"	444.067986	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+CH3OH+H"	33.033486
"392455"	861.032158	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+K"	38.963158
"753817"	1272.066658	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+K"	38.963158
"1553962"	449.997658	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+K"	38.963158
"312960"	431.019717	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+H+K"	39.970434
"705378"	636.536967	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+H+K"	39.970434
"1455187"	225.502467	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H+K"	39.970434
"241602"	864.102826	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+ACN+H"	42.033826
"1219778"	453.068326	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+ACN+H"	42.033826
"1204757"	227.037801	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+ACN+2H"	43.041102
"196534"	867.04016	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+2Na-H"	44.97116
"633907"	1278.07466	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+2Na-H"	44.97116
"1140693"	456.00566	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2Na-H"	44.97116
"180701"	434.023718	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+2Na"	45.978436
"619165"	639.540968	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+2Na"	45.978436
"1123772"	228.506468	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2Na"	45.978436
"1404016"	152.673404	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H+2Na"	46.985712
"1436132"	458.047246	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H+HCOOH"	47.012746
"224735"	439.05674	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+3H2O+2H"	56.04448
"1511337"	472.09929	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+IsoProp+H"	61.06479
"418683"	442.010688	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+Na+K"	61.952376
"773480"	647.527938	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+Na+K"	61.952376
"1668349"	236.493438	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Na+K"	61.952376
"256331"	886.084768	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+ACN+Na"	64.015768
"1236335"	475.050268	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+ACN+Na"	64.015768
"1721209"	475.073793	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+NH4+HCOOH"	64.039293
"1181092"	160.000718	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+3Na"	68.967654
"1659736"	480.029188	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Na+HCOOH"	68.994688
"162221"	898.98804	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+2K-H"	76.91904
"606158"	1310.02254	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+2K-H"	76.91904
"1099060"	487.95354	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2K-H"	76.91904
"156733"	449.997658	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"2M+2K"	77.926316
"595561"	655.514908	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"3M+2K"	77.926316
"1081410"	244.480408	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2K"	77.926316
"1111338"	489.968092	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2K+H"	78.933592
"1346630"	490.055707	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+DMSO+H"	79.021207
"1019294"	494.094876	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2ACN+H"	83.060376
"1531099"	495.088508	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+IsoProp+Na+H"	84.054008
"999732"	247.551076	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+2ACN+2H"	84.067652
"1595332"	496.003128	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+K+HCOOH"	84.968628
"1426459"	526.034638	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+H+CF3COOH"	115.000138
"1154561"	268.064351	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+3ACN+2H"	125.094202
"1705205"	543.061185	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+NH4+CF3COOH"	132.026685
"1643042"	548.01658	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+Na+CF3COOH"	136.98208
"1574320"	563.99052	"C00206"	"dADP;2-Deoxyadenosine 5-diphosphate"	"C10H15N5O9P2"	"411.0345"	"M+K+CF3COOH"	152.95602
"807966"	58.0419	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M"	0
"976029"	39.02351	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-H2O-H"	-19.01839
"68646"	37.687324	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M-3H"	-3.021828
"507112"	57.034624	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M-3H"	-3.021828
"883820"	18.340024	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-3H"	-3.021828
"8961"	57.034624	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M-2H"	-2.014552
"455453"	86.055574	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M-2H"	-2.014552
"829606"	28.013674	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-2H"	-2.014552
"87410"	115.076524	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M-H"	-1.007276
"522594"	173.118424	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M-H"	-1.007276
"897844"	57.034624	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-H"	-1.007276
"56960"	132.103071	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M-2H+NH4"	16.019271
"495426"	190.144971	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M-2H+NH4"	16.019271
"877606"	74.061171	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-2H+NH4"	16.019271
"45386"	137.058466	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M-2H+Na"	20.974666
"481796"	195.100366	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M-2H+Na"	20.974666
"858502"	79.016566	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-2H+Na"	20.974666
"1624754"	79.016566	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Na-2H"	20.974666
"102375"	75.022963	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M-H+Cl"	33.962126
"540845"	104.043913	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M-H+Cl"	33.962126
"934359"	46.002013	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-H+Cl"	33.962126
"282042"	151.053202	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+Cl"	34.969402
"674462"	209.095102	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+Cl"	34.969402
"1287834"	93.011302	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Cl"	34.969402
"29050"	153.032406	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M-2H+K"	36.948606
"470431"	211.074306	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M-2H+K"	36.948606
"844222"	94.990506	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-2H+K"	36.948606
"1570957"	94.990506	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+K-2H"	36.948606
"955595"	103.040094	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-H+HCOOH"	44.998194
"375636"	161.082001	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+HCOOH-H"	44.998201
"358788"	175.097651	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+Hac-H"	59.013851
"1503246"	117.055751	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Hac-H"	59.013851
"967506"	125.022051	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-H+NaCOOH"	66.980151
"122975"	93.011302	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+2Cl"	69.938804
"559255"	122.032252	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+2Cl"	69.938804
"1031335"	63.990352	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2Cl"	69.938804
"1254566"	136.960785	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Br"	78.918885
"1318474"	139.016772	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Cl+HCOOH"	80.974872
"1331960"	160.998729	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Cl+NaCOOH"	102.956829
"921561"	171.027486	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M-H+CF3COOH"	112.985586
"1304168"	207.004164	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Cl+CF3COOH"	148.962264
"1381539"	23.029224	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H-2H2O"	-35.012676
"1398417"	41.0392	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H-H2O"	-17.0027
"298432"	117.091076	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+H"	1.007276
"689321"	175.132976	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+H"	1.007276
"1364941"	59.049176	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H"	1.007276
"141372"	59.049176	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+2H"	2.014552
"577391"	88.070126	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+2H"	2.014552
"1051663"	30.028226	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2H"	2.014552
"217007"	39.701876	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+3H"	3.021828
"655837"	59.049176	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+3H"	3.021828
"1168495"	20.354576	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+3H"	3.021828
"427393"	134.117623	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+NH4"	18.033823
"790574"	192.159523	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+NH4"	18.033823
"1691279"	76.075723	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+NH4"	18.033823
"341750"	67.5624495	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+H+NH4"	19.041099
"728703"	96.5833995	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+H+NH4"	19.041099
"1492535"	38.5414995	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H+NH4"	19.041099
"406312"	139.073018	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+Na"	22.989218
"766578"	197.114918	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+Na"	22.989218
"1605927"	81.031118	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Na"	22.989218
"318149"	70.040147	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+H+Na"	23.996494
"710570"	99.061097	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+H+Na"	23.996494
"1476674"	41.019197	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H+Na"	23.996494
"1066394"	27.68189	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2H+Na"	25.00377
"1269170"	91.075386	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+CH3OH+H"	33.033486
"391023"	155.046958	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+K"	38.963158
"753115"	213.088858	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+K"	38.963158
"1554072"	97.005058	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+K"	38.963158
"313069"	78.027117	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+H+K"	39.970434
"703666"	107.048067	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+H+K"	39.970434
"1455297"	49.006167	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H+K"	39.970434
"241712"	158.117626	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+ACN+H"	42.033826
"1217702"	100.075726	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+ACN+H"	42.033826
"1203774"	50.541501	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+ACN+2H"	43.041102
"195551"	161.05496	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+2Na-H"	44.97116
"634017"	219.09686	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+2Na-H"	44.97116
"1135335"	103.01306	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2Na-H"	44.97116
"181905"	81.031118	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+2Na"	45.978436
"614292"	110.052068	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+2Na"	45.978436
"1116345"	52.010168	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2Na"	45.978436
"1399385"	35.009204	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H+2Na"	46.985712
"1431137"	105.054646	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H+HCOOH"	47.012746
"223022"	86.06414	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+3H2O+2H"	56.04448
"1508667"	119.10669	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+IsoProp+H"	61.06479
"411865"	89.018088	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+Na+K"	61.952376
"773590"	118.039038	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+Na+K"	61.952376
"1668095"	59.997138	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Na+K"	61.952376
"254618"	180.099568	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+ACN+Na"	64.015768
"1234986"	122.057668	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+ACN+Na"	64.015768
"1722412"	122.081193	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+NH4+HCOOH"	64.039293
"1180473"	42.336518	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+3Na"	68.967654
"1659846"	127.036588	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Na+HCOOH"	68.994688
"160508"	193.00284	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+2K-H"	76.91904
"606268"	251.04474	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+2K-H"	76.91904
"1098319"	134.96094	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2K-H"	76.91904
"156968"	97.005058	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"2M+2K"	77.926316
"595913"	126.026008	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"3M+2K"	77.926316
"1081520"	67.984108	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2K"	77.926316
"1111448"	136.975492	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2K+H"	78.933592
"1346740"	137.063107	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+DMSO+H"	79.021207
"1016366"	141.102276	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2ACN+H"	83.060376
"1532304"	142.095908	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+IsoProp+Na+H"	84.054008
"1002030"	71.054776	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+2ACN+2H"	84.067652
"1598723"	143.010528	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+K+HCOOH"	84.968628
"1426569"	173.042038	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+H+CF3COOH"	115.000138
"1154671"	91.568051	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+3ACN+2H"	125.094202
"1705315"	190.068585	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+NH4+CF3COOH"	132.026685
"1643152"	195.02398	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+Na+CF3COOH"	136.98208
"1574430"	210.99792	"C00207"	"Acetone;Dimethyl ketone;2-Propanone"	"C3H6O"	"58.0419"	"M+K+CF3COOH"	152.95602
"813545"	342.1162	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M"	0
"983800"	323.09781	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"69853"	227.070190666667	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"509412"	341.108924	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"882837"	113.031457333333	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"4696"	341.108924	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"454834"	512.167024	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"829352"	170.050824	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"87520"	683.225124	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"522704"	1025.341324	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"898318"	341.108924	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"62303"	700.251671	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"497725"	1042.367871	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"879379"	358.135471	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"46553"	705.207066	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"480813"	1047.323266	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"860799"	363.090866	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1624864"	363.090866	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"102485"	359.097263	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"544236"	530.155363	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"936657"	188.039163	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"282558"	719.201802	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"674814"	1061.318002	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1287703"	377.085602	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"29160"	721.181006	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"467626"	1063.297206	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"842147"	379.064806	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1571164"	379.064806	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"953518"	387.114394	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"376719"	729.230601	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"357805"	743.246251	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1503356"	401.130051	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"967616"	409.096351	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"116524"	377.085602	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"559365"	548.143702	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1024883"	206.027502	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1255770"	421.035085	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1318220"	423.091072	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1332068"	445.073029	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"922035"	455.101786	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1303131"	491.078464	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1381284"	307.103524	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1398142"	325.1135	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"297375"	685.239676	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"689431"	1027.355876	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1365416"	343.123476	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"139035"	343.123476	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"576407"	514.181576	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1050314"	172.065376	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"214930"	229.084742666667	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"652667"	343.123476	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1170792"	115.046009333333	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"430783"	702.266223	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"793964"	1044.382423	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1689202"	360.150023	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"332739"	351.6367495	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"723344"	522.6948495	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1488838"	180.5786495	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"405330"	707.221618	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"764501"	1049.337818	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1604944"	365.105418	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"317166"	354.114447	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"707641"	525.172547	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1476784"	183.056347	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1065408"	122.373323333333	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1272395"	375.149686	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"387849"	723.195558	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"754141"	1065.311758	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1554544"	381.079358	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"313543"	362.101417	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"703776"	533.159517	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1455407"	191.043317	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"240729"	726.266226	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1215625"	384.150026	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1202792"	192.578651	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"195661"	729.20356	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"635220"	1071.31976	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1137632"	387.08736	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"182015"	365.105418	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"616834"	536.163518	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1118525"	194.047318	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1399253"	129.700637333333	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1430268"	389.128946	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"221796"	370.13844	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1509483"	403.18099	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"411611"	373.092388	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"771388"	544.150488	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1665691"	202.034288	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"253999"	748.248168	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1234731"	406.131968	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1721428"	406.155493	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1183500"	137.027951333333	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1659956"	411.110888	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"160618"	761.15144	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"606378"	1103.26764	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1098550"	419.03524	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"157094"	381.079358	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"595781"	552.137458	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1080537"	210.021258	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1113749"	421.049792	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1350133"	421.137407	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1018665"	425.176576	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1526946"	426.170208	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"998862"	213.091926	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1594459"	427.084828	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1423399"	457.116338	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1151500"	233.605201	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1699957"	474.142885	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1643262"	479.09828	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1574540"	495.07222	"C00208"	"Maltose;Malt sugar;alpha-D-Glucopyranosyl-(1-4)-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"808186"	89.9953	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M"	0
"986096"	70.97691	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-H2O-H"	-19.01839
"71056"	58.9895906666667	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M-3H"	-3.021828
"509522"	88.988024	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M-3H"	-3.021828
"882947"	28.9911573333333	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-3H"	-3.021828
"5899"	88.988024	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M-2H"	-2.014552
"453731"	133.985674	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M-2H"	-2.014552
"829826"	43.990374	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-2H"	-2.014552
"87630"	178.983324	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M-H"	-1.007276
"523907"	268.978624	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M-H"	-1.007276
"899522"	88.988024	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-H"	-1.007276
"50612"	196.009871	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M-2H+NH4"	16.019271
"499294"	286.005171	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M-2H+NH4"	16.019271
"876368"	106.014571	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-2H+NH4"	16.019271
"42446"	200.965266	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M-2H+Na"	20.974666
"480924"	290.960566	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M-2H+Na"	20.974666
"859816"	110.969966	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-2H+Na"	20.974666
"1627161"	110.969966	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Na-2H"	20.974666
"103689"	106.976363	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M-H+Cl"	33.962126
"544345"	151.974013	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M-H+Cl"	33.962126
"936769"	61.978713	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-H+Cl"	33.962126
"282666"	214.960002	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+Cl"	34.969402
"675534"	304.955302	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+Cl"	34.969402
"1288355"	124.964702	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Cl"	34.969402
"27449"	216.939206	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M-2H+K"	36.948606
"466642"	306.934506	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M-2H+K"	36.948606
"845537"	126.943906	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-2H+K"	36.948606
"1567571"	126.943906	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+K-2H"	36.948606
"952535"	134.993494	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-H+HCOOH"	44.998194
"374033"	224.988801	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+HCOOH-H"	44.998201
"356822"	239.004451	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+Hac-H"	59.013851
"1501279"	149.009151	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Hac-H"	59.013851
"967726"	156.975451	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-H+NaCOOH"	66.980151
"117727"	124.964702	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+2Cl"	69.938804
"557289"	169.962352	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+2Cl"	69.938804
"1023900"	79.967052	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2Cl"	69.938804
"1254787"	168.914185	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Br"	78.918885
"1317235"	170.970172	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Cl+HCOOH"	80.974872
"1332179"	192.952129	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Cl+NaCOOH"	102.956829
"923968"	202.980886	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M-H+CF3COOH"	112.985586
"1303360"	238.957564	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Cl+CF3COOH"	148.962264
"1380300"	54.982624	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H-2H2O"	-35.012676
"1398050"	72.9926	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H-H2O"	-17.0027
"297973"	180.997876	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+H"	1.007276
"689541"	270.993176	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+H"	1.007276
"1363704"	91.002576	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H"	1.007276
"135498"	91.002576	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+2H"	2.014552
"579067"	136.000226	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+2H"	2.014552
"1050425"	46.004926	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2H"	2.014552
"213947"	61.0041426666667	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+3H"	3.021828
"652777"	91.002576	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+3H"	3.021828
"1171995"	31.0057093333333	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+3H"	3.021828
"430893"	198.024423	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+NH4"	18.033823
"794074"	288.019723	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+NH4"	18.033823
"1692592"	108.029123	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+NH4"	18.033823
"334672"	99.5158495	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+H+NH4"	19.041099
"726005"	144.5134995	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+H+NH4"	19.041099
"1488948"	54.5181995	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H+NH4"	19.041099
"405804"	202.979818	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+Na"	22.989218
"762425"	292.975118	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+Na"	22.989218
"1603026"	112.984518	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Na"	22.989218
"317276"	101.993547	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+H+Na"	23.996494
"708968"	146.991197	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+H+Na"	23.996494
"1475922"	56.995897	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H+Na"	23.996494
"1065518"	38.3330233333333	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2H+Na"	25.00377
"1272470"	123.028786	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+CH3OH+H"	33.033486
"389052"	218.953758	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+K"	38.963158
"753211"	308.949058	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+K"	38.963158
"1553561"	128.958458	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+K"	38.963158
"311103"	109.980517	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+H+K"	39.970434
"703159"	154.978167	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+H+K"	39.970434
"1455517"	64.982867	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H+K"	39.970434
"244119"	222.024426	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+ACN+H"	42.033826
"1219016"	132.029126	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+ACN+H"	42.033826
"1205819"	66.518201	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+ACN+2H"	43.041102
"197959"	224.96176	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+2Na-H"	44.97116
"638612"	314.95706	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+2Na-H"	44.97116
"1141022"	134.96646	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2Na-H"	44.97116
"175563"	112.984518	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+2Na"	45.978436
"615123"	157.982168	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+2Na"	45.978436
"1118635"	67.986868	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2Na"	45.978436
"1402158"	45.6603373333333	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H+2Na"	46.985712
"1430993"	137.008046	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H+HCOOH"	47.012746
"222027"	118.01754	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+3H2O+2H"	56.04448
"1508628"	151.06009	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+IsoProp+H"	61.06479
"411721"	120.971488	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+Na+K"	61.952376
"769951"	165.969138	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+Na+K"	61.952376
"1665879"	75.973838	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Na+K"	61.952376
"253381"	244.006368	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+ACN+Na"	64.015768
"1227543"	154.011068	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+ACN+Na"	64.015768
"1722631"	154.034593	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+NH4+HCOOH"	64.039293
"1186890"	52.9876513333333	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+3Na"	68.967654
"1660066"	158.989988	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Na+HCOOH"	68.994688
"162550"	256.90964	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+2K-H"	76.91904
"606488"	346.90494	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+2K-H"	76.91904
"1098908"	166.91434	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2K-H"	76.91904
"156576"	128.958458	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"2M+2K"	77.926316
"595891"	173.956108	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"3M+2K"	77.926316
"1079552"	83.960808	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2K"	77.926316
"1114225"	168.928892	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2K+H"	78.933592
"1349879"	169.016507	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+DMSO+H"	79.021207
"1017682"	173.055676	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2ACN+H"	83.060376
"1528149"	174.049308	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+IsoProp+Na+H"	84.054008
"997878"	87.031476	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+2ACN+2H"	84.067652
"1594569"	174.963928	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+K+HCOOH"	84.968628
"1423509"	204.995438	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+H+CF3COOH"	115.000138
"1151610"	107.544751	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+3ACN+2H"	125.094202
"1697881"	222.021985	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+NH4+CF3COOH"	132.026685
"1640092"	226.97738	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+Na+CF3COOH"	136.98208
"1574650"	242.95132	"C00209"	"Oxalate;Oxalic acid;Ethanedioic acid"	"C2H2O4"	"89.9953"	"M+K+CF3COOH"	152.95602
"816563"	267.0968	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M"	0
"987298"	248.07841	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-H2O-H"	-19.01839
"75542"	177.057257333333	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M-3H"	-3.021828
"516566"	266.089524	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M-3H"	-3.021828
"891818"	88.0249906666667	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-3H"	-3.021828
"12577"	266.089524	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M-2H"	-2.014552
"452139"	399.637924	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M-2H"	-2.014552
"829575"	132.541124	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-2H"	-2.014552
"92115"	533.186324	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M-H"	-1.007276
"528393"	800.283124	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M-H"	-1.007276
"909479"	266.089524	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-H"	-1.007276
"60577"	550.212871	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M-2H+NH4"	16.019271
"497951"	817.309671	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M-2H+NH4"	16.019271
"873569"	283.116071	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-2H+NH4"	16.019271
"41470"	555.168266	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M-2H+Na"	20.974666
"482123"	822.265066	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M-2H+Na"	20.974666
"858833"	288.071466	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-2H+Na"	20.974666
"1628367"	288.071466	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Na-2H"	20.974666
"105629"	284.077863	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M-H+Cl"	33.962126
"548963"	417.626263	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M-H+Cl"	33.962126
"941994"	150.529463	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-H+Cl"	33.962126
"282377"	569.163002	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+Cl"	34.969402
"675322"	836.259802	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+Cl"	34.969402
"1288132"	302.066202	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Cl"	34.969402
"29627"	571.142206	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M-2H+K"	36.948606
"468578"	838.239006	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M-2H+K"	36.948606
"842371"	304.045406	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-2H+K"	36.948606
"1569869"	304.045406	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+K-2H"	36.948606
"956295"	312.094994	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-H+HCOOH"	44.998194
"371959"	579.191801	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+HCOOH-H"	44.998201
"356935"	593.207451	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+Hac-H"	59.013851
"1506133"	326.110651	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Hac-H"	59.013851
"973673"	334.076951	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-H+NaCOOH"	66.980151
"123674"	302.066202	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+2Cl"	69.938804
"564336"	435.614602	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+2Cl"	69.938804
"1033497"	168.517802	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2Cl"	69.938804
"1253804"	346.015685	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Br"	78.918885
"1316990"	348.071672	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Cl+HCOOH"	80.974872
"1326832"	370.053629	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Cl+NaCOOH"	102.956829
"923357"	380.082386	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M-H+CF3COOH"	112.985586
"1294599"	416.059064	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Cl+CF3COOH"	148.962264
"1373854"	232.084124	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H-2H2O"	-35.012676
"1396455"	250.0941	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H-H2O"	-17.0027
"295047"	535.200876	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+H"	1.007276
"689656"	802.297676	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+H"	1.007276
"1366613"	268.104076	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H"	1.007276
"138166"	268.104076	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+2H"	2.014552
"578455"	401.652476	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+2H"	2.014552
"1048714"	134.555676	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2H"	2.014552
"215523"	179.071809333333	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+3H"	3.021828
"657266"	268.104076	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+3H"	3.021828
"1173933"	90.0395426666667	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+3H"	3.021828
"435381"	552.227423	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+NH4"	18.033823
"793095"	819.324223	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+NH4"	18.033823
"1688335"	285.130623	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+NH4"	18.033823
"338805"	276.6173495	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+H+NH4"	19.041099
"733415"	410.1657495	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+H+NH4"	19.041099
"1490880"	143.0689495	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H+NH4"	19.041099
"407009"	557.182818	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+Na"	22.989218
"766908"	824.279618	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+Na"	22.989218
"1605528"	290.086018	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Na"	22.989218
"329270"	279.095047	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+H+Na"	23.996494
"718570"	412.643447	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+H+Na"	23.996494
"1473480"	145.546647	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H+Na"	23.996494
"1067580"	97.3668566666666	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2H+Na"	25.00377
"1268403"	300.130286	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+CH3OH+H"	33.033486
"390258"	573.156758	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+K"	38.963158
"752348"	840.253558	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+K"	38.963158
"1552216"	306.059958	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+K"	38.963158
"310120"	287.082017	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+H+K"	39.970434
"700718"	420.630417	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+H+K"	39.970434
"1457455"	153.533617	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H+K"	39.970434
"247150"	576.227426	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+ACN+H"	42.033826
"1222050"	309.130626	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+ACN+H"	42.033826
"1205199"	155.068951	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+ACN+2H"	43.041102
"198069"	579.16476	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+2Na-H"	44.97116
"636536"	846.26156	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+2Na-H"	44.97116
"1140040"	312.06796	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2Na-H"	44.97116
"184793"	290.086018	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+2Na"	45.978436
"622896"	423.634418	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+2Na"	45.978436
"1125309"	156.537618	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2Na"	45.978436
"1409928"	104.694170666667	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H+2Na"	46.985712
"1441680"	314.109546	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H+HCOOH"	47.012746
"232835"	295.11904	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+3H2O+2H"	56.04448
"1520896"	328.16159	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+IsoProp+H"	61.06479
"417300"	298.072988	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+Na+K"	61.952376
"775016"	431.621388	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+Na+K"	61.952376
"1677908"	164.524588	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Na+K"	61.952376
"260053"	598.209368	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+ACN+Na"	64.015768
"1239323"	331.112568	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+ACN+Na"	64.015768
"1723835"	331.136093	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+NH4+HCOOH"	64.039293
"1192838"	112.021484666667	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+3Na"	68.967654
"1662369"	336.091488	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Na+HCOOH"	68.994688
"171417"	611.11264	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+2K-H"	76.91904
"605513"	878.20944	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+2K-H"	76.91904
"1095492"	344.01584	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2K-H"	76.91904
"156562"	306.059958	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"2M+2K"	77.926316
"595149"	439.608358	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"3M+2K"	77.926316
"1078568"	172.511558	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2K"	77.926316
"1110686"	346.030392	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2K+H"	78.933592
"1342696"	346.118007	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+DMSO+H"	79.021207
"1014506"	350.157176	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2ACN+H"	83.060376
"1532631"	351.150808	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+IsoProp+Na+H"	84.054008
"1000171"	175.582226	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+2ACN+2H"	84.067652
"1592489"	352.065428	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+K+HCOOH"	84.968628
"1418148"	382.096938	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+H+CF3COOH"	115.000138
"1150623"	196.095501	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+3ACN+2H"	125.094202
"1706735"	399.123485	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+NH4+CF3COOH"	132.026685
"1636922"	404.07888	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+Na+CF3COOH"	136.98208
"1572206"	420.05282	"C00212"	"Adenosine"	"C10H13N5O4"	"267.0968"	"M+K+CF3COOH"	152.95602
"814970"	89.0477	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M"	0
"985221"	70.02931	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"74559"	58.3578573333333	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"518179"	88.040424	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"894806"	28.6752906666667	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"14752"	88.040424	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"454436"	132.564274	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"830048"	43.516574	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"93076"	177.088124	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"525223"	266.135824	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"907402"	88.040424	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"60687"	194.114671	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"500248"	283.162371	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"873679"	105.066971	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"41580"	199.070066	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"482233"	288.117766	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"858943"	110.022366	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1628477"	110.022366	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"105739"	106.028763	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"549236"	150.552613	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"941372"	61.504913	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"282368"	213.064802	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"675110"	302.112502	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1287872"	124.017102	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"28400"	215.044006	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"467959"	304.091706	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"843211"	125.996306	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1567064"	125.996306	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"955312"	134.045894	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"373529"	223.093601	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"354857"	237.109251	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1502596"	148.061551	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"969042"	156.027851	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"122691"	124.017102	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"562978"	168.540952	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1035065"	79.493252	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1254279"	167.966585	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1319851"	170.022572	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1326942"	192.004529	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"926386"	202.033286	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1294709"	238.009964	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1376151"	54.035024	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1396928"	72.045	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"295522"	179.102676	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"686851"	268.150376	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1364658"	90.054976	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"139369"	90.054976	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"580753"	134.578826	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1051010"	45.531126	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"216725"	60.3724093333333	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"655554"	90.054976	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1172950"	30.6898426666667	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"435491"	196.129223	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"789925"	285.176923	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1684071"	107.081523	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"338915"	98.5682495	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"732431"	143.0920995	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1491718"	54.0443995	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"405662"	201.084618	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"769204"	290.132318	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1606731"	112.036918	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"329788"	101.045947	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"722566"	145.569797	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1475411"	56.522097	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1064645"	38.0171566666667	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1270699"	122.081186	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"391461"	217.058558	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"753795"	306.106258	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1553419"	128.010858	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"310592"	109.032917	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"700825"	153.556767	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1458659"	64.509067	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"249083"	220.129226	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1223613"	131.081526	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1206401"	66.044401	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
"194899"	223.06656	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+2Na-H"	44.97116
"637739"	312.11426	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+2Na-H"	44.97116
"1137963"	134.01886	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"185267"	112.036918	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"623005"	156.560768	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1124326"	67.513068	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1407851"	45.3444706666667	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1435591"	136.060446	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"228566"	117.06994	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1517723"	150.11249	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"417410"	120.023888	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"775126"	164.547738	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1675831"	75.500038	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"259070"	242.111168	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1238705"	153.063468	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1725038"	153.086993	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1190031"	52.6717846666667	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1660292"	158.042388	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"171528"	255.01444	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"604529"	344.06214	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1095602"	165.96674	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"151325"	128.010858	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"595259"	172.534708	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1078677"	83.487008	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1111888"	167.981292	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1341713"	168.068907	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1011336"	172.108076	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1533834"	173.101708	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"1000281"	86.557676	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1592599"	174.016328	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1418258"	204.047838	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1149640"	107.070951	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1705752"	221.074385	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1637032"	226.02978	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1571952"	242.00372	"C00213"	"Sarcosine;N-Methylglycine"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"815080"	242.0903	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M"	0
"985331"	223.07191	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-H2O-H"	-19.01839
"75763"	160.386257333333	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M-3H"	-3.021828
"518332"	241.083024	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M-3H"	-3.021828
"895321"	79.6894906666667	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-3H"	-3.021828
"15235"	241.083024	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M-2H"	-2.014552
"455152"	362.128174	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M-2H"	-2.014552
"829064"	120.037874	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-2H"	-2.014552
"91241"	483.173324	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M-H"	-1.007276
"525333"	725.263624	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M-H"	-1.007276
"906417"	241.083024	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-H"	-1.007276
"59700"	500.199871	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M-2H+NH4"	16.019271
"501206"	742.290171	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M-2H+NH4"	16.019271
"873789"	258.109571	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-2H+NH4"	16.019271
"41690"	505.155266	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M-2H+Na"	20.974666
"482343"	747.245566	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M-2H+Na"	20.974666
"856863"	263.064966	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-2H+Na"	20.974666
"1627491"	263.064966	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Na-2H"	20.974666
"106943"	259.071363	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M-H+Cl"	33.962126
"549897"	380.116513	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M-H+Cl"	33.962126
"942334"	138.026213	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-H+Cl"	33.962126
"282105"	519.150002	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+Cl"	34.969402
"675498"	761.240302	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+Cl"	34.969402
"1285954"	277.059702	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Cl"	34.969402
"27417"	521.129206	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M-2H+K"	36.948606
"468433"	763.219506	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M-2H+K"	36.948606
"842592"	279.038906	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-2H+K"	36.948606
"1566810"	279.038906	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+K-2H"	36.948606
"955058"	287.088494	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-H+HCOOH"	44.998194
"374003"	529.178801	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+HCOOH-H"	44.998201
"356789"	543.194451	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+Hac-H"	59.013851
"1503799"	301.104151	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Hac-H"	59.013851
"969153"	309.070451	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-H+NaCOOH"	66.980151
"123165"	277.059702	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+2Cl"	69.938804
"563454"	398.104852	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+2Cl"	69.938804
"1033715"	156.014552	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2Cl"	69.938804
"1251837"	321.009185	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Br"	78.918885
"1317935"	323.065172	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Cl+HCOOH"	80.974872
"1325958"	345.047129	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Cl+NaCOOH"	102.956829
"919203"	355.075886	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M-H+CF3COOH"	112.985586
"1294819"	391.052564	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Cl+CF3COOH"	148.962264
"1369701"	207.077624	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H-2H2O"	-35.012676
"1389383"	225.0876	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H-H2O"	-17.0027
"293443"	485.187876	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+H"	1.007276
"687688"	727.278176	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+H"	1.007276
"1365857"	243.097576	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H"	1.007276
"140207"	243.097576	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+2H"	2.014552
"577580"	364.142726	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+2H"	2.014552
"1047836"	122.052426	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2H"	2.014552
"212454"	162.400809333333	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+3H"	3.021828
"652013"	243.097576	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+3H"	3.021828
"1175245"	81.7040426666667	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+3H"	3.021828
"435599"	502.214423	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+NH4"	18.033823
"793315"	744.304723	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+NH4"	18.033823
"1686368"	260.124123	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+NH4"	18.033823
"339025"	251.6108495	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+H+NH4"	19.041099
"736915"	372.6559995	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+H+NH4"	19.041099
"1488549"	130.5656995	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H+NH4"	19.041099
"408203"	507.169818	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+Na"	22.989218
"768221"	749.260118	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+Na"	22.989218
"1608663"	265.079518	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Na"	22.989218
"329912"	254.088547	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+H+Na"	23.996494
"722740"	375.133697	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+H+Na"	23.996494
"1476861"	133.043397	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H+Na"	23.996494
"1064755"	89.0313566666667	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2H+Na"	25.00377
"1269716"	275.123786	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+CH3OH+H"	33.033486
"390114"	523.143758	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+K"	38.963158
"753907"	765.234058	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+K"	38.963158
"1554622"	281.053458	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+K"	38.963158
"312767"	262.075517	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+H+K"	39.970434
"700935"	383.120667	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+H+K"	39.970434
"1461079"	141.030367	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H+K"	39.970434
"249193"	526.214426	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+ACN+H"	42.033826
"1222630"	284.124126	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+ACN+H"	42.033826
"1208213"	142.565701	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+ACN+2H"	43.041102
"198288"	529.15176	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+2Na-H"	44.97116
"638942"	771.24206	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+2Na-H"	44.97116
"1138073"	287.06146	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2Na-H"	44.97116
"184647"	265.079518	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+2Na"	45.978436
"623115"	386.124668	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+2Na"	45.978436
"1121155"	144.034368	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2Na"	45.978436
"1406866"	96.3586706666667	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H+2Na"	46.985712
"1435701"	289.103046	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H+HCOOH"	47.012746
"225396"	270.11254	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+3H2O+2H"	56.04448
"1517833"	303.15509	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+IsoProp+H"	61.06479
"418613"	273.066488	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+Na+K"	61.952376
"773047"	394.111638	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+Na+K"	61.952376
"1672660"	152.021338	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Na+K"	61.952376
"256992"	548.196368	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+ACN+Na"	64.015768
"1232981"	306.106068	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+ACN+Na"	64.015768
"1720774"	306.129593	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+NH4+HCOOH"	64.039293
"1191598"	103.685984666667	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+3Na"	68.967654
"1664897"	311.084988	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Na+HCOOH"	68.994688
"169452"	561.09964	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+2K-H"	76.91904
"612291"	803.18994	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+2K-H"	76.91904
"1096805"	319.00934	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2K-H"	76.91904
"151435"	281.053458	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"2M+2K"	77.926316
"595248"	402.098608	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"3M+2K"	77.926316
"1078787"	160.008308	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2K"	77.926316
"1111998"	321.023892	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2K+H"	78.933592
"1342916"	321.111507	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+DMSO+H"	79.021207
"1014727"	325.150676	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2ACN+H"	83.060376
"1532851"	326.144308	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+IsoProp+Na+H"	84.054008
"1002578"	163.078976	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+2ACN+2H"	84.067652
"1598176"	327.058928	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+K+HCOOH"	84.968628
"1427116"	357.090438	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+H+CF3COOH"	115.000138
"1155218"	183.592251	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+3ACN+2H"	125.094202
"1710236"	374.116985	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+NH4+CF3COOH"	132.026685
"1640422"	379.07238	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+Na+CF3COOH"	136.98208
"1572790"	395.04632	"C00214"	"Thymidine;Deoxythymidine"	"C10H14N2O5"	"242.0903"	"M+K+CF3COOH"	152.95602
"814098"	150.0528	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M"	0
"989704"	131.03441	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"78374"	99.027924	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"518197"	149.045524	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"895521"	49.010324	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"15657"	149.045524	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"455019"	224.071924	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"829175"	74.019124	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"90987"	299.098324	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"525445"	449.151124	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"908717"	149.045524	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"61636"	316.124871	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"495000"	466.177671	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"868430"	166.072071	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"41800"	321.080266	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"484640"	471.133066	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"860257"	171.027466	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1630160"	171.027466	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"105596"	167.033863	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"549537"	242.060263	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"942362"	92.007463	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"282834"	335.075002	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"675643"	485.127802	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1286792"	185.022202	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"30809"	337.054206	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"465996"	487.107006	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"842703"	187.001406	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1564005"	187.001406	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"954076"	195.050994	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"374114"	345.103801	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"358726"	359.119451	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1504276"	209.066651	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"972183"	217.032951	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"123279"	185.022202	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"562841"	260.048602	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1035655"	109.995802	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1253778"	228.971685	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1311851"	231.027672	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1330440"	253.009629	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"922592"	263.038386	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1297113"	299.015064	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1375277"	115.040124	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1394961"	133.0501	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"291367"	301.112876	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"688894"	451.165676	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1365848"	151.060076	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"140317"	151.060076	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"579877"	226.086476	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1049769"	76.033676	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"215844"	101.042476	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"652125"	151.060076	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1174625"	51.024876	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"432431"	318.139423	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"797804"	468.192223	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1682106"	168.086623	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"332572"	159.5733495	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"730460"	234.5997495	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1487562"	84.5469495	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"400775"	323.094818	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"759947"	473.147618	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1617048"	173.042018	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"327566"	162.051047	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"722584"	237.077447	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1476281"	87.024647	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1067058"	58.35219	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1269826"	183.086286	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"390587"	339.068758	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"751583"	489.121558	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1551448"	189.015958	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"311904"	170.038017	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"705419"	245.064417	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1460699"	95.011617	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"246752"	342.139426	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1220553"	192.086626	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1203341"	96.546951	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"191838"	345.07676	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"630304"	495.12956	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1139283"	195.02396	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"184758"	173.042018	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"621038"	248.068418	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1123452"	98.015618	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1409164"	65.679504	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1440186"	197.065546	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"233163"	178.07504	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1520131"	211.11759	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"418724"	181.028988	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"772792"	256.055388	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1673863"	106.002588	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"260383"	364.121368	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1231997"	214.068568	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1718697"	214.092093	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1194093"	73.006818	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1663794"	219.047488	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"168469"	377.02464	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"602562"	527.07744	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1091449"	226.97184	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"151545"	189.015958	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"590011"	264.042358	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1078900"	113.989558	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1108831"	228.986392	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1345216"	229.074007	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1011557"	233.113176	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1531868"	234.106808	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"993943"	117.060226	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1589903"	235.021428	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1419573"	265.052938	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1150225"	137.573501	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1709253"	282.079485	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1635066"	287.03488	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1571445"	303.00882	"C00216"	"D-Arabinose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"813115"	147.0532	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M"	0
"989862"	128.03481	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"78288"	97.0281906666667	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"517985"	146.045924	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"895181"	48.0104573333333	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"12896"	146.045924	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"455251"	219.572524	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"828191"	72.519324	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"84901"	293.099124	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"525555"	440.152324	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"910168"	146.045924	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"60653"	310.125671	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"498391"	457.178871	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"872912"	163.072471	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"42276"	315.081066	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"483658"	462.134266	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"862918"	168.027866	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1631729"	168.027866	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"107529"	164.034263	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"548184"	237.560863	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"942595"	90.507663	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"282776"	329.075802	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"675517"	476.129002	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1288246"	182.022602	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"31128"	331.055006	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"463920"	478.108206	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"836982"	184.001806	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1560835"	184.001806	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"954186"	192.051394	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"374588"	339.104601	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"358836"	353.120251	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1506210"	206.067051	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"973389"	214.033351	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"125339"	182.022602	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"564776"	255.549202	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1034669"	108.496002	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1252428"	225.972085	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1311962"	228.028072	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1325084"	250.010029	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"917236"	260.038786	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1293944"	296.015464	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1373199"	112.040524	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1386323"	130.0505	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"289291"	295.113676	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"687180"	442.166876	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1365712"	148.060476	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"138969"	148.060476	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"577071"	221.587076	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1049150"	74.533876	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"215954"	99.0427426666667	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"654421"	148.060476	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1171454"	50.0250093333333	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"431447"	312.140223	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"797914"	459.193423	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1682581"	165.087023	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"332682"	156.5737495	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"727290"	230.1003495	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1487672"	83.0471495	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"403072"	317.095618	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"762974"	464.148818	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1616544"	170.042418	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"328528"	159.051447	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"722693"	232.578047	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1475863"	85.524847	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1066923"	57.3523233333333	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1270908"	180.086686	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"389605"	333.069558	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"751331"	480.122758	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1551558"	186.016358	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"312015"	167.038417	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"702251"	240.565017	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1457163"	93.511817	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"246865"	336.140226	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1220664"	189.087026	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1203454"	95.047151	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"193406"	339.07756	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"633693"	486.13076	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1139757"	192.02436	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"184869"	170.042418	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"621148"	243.569018	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1124656"	96.515818	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1409274"	64.6796373333333	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1441389"	194.065946	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"231085"	175.07544	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1521700"	208.11799	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"418834"	178.029388	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"773266"	251.555988	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1669597"	104.502788	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"255749"	358.122168	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1231010"	211.068968	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1716981"	211.092493	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1193888"	72.0069513333333	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1665125"	216.047888	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"172828"	371.02544	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"604859"	518.07864	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1098119"	223.97224	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"155787"	186.016358	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"594374"	259.542958	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1079010"	112.489758	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1106754"	225.986792	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1342045"	226.074407	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1011666"	230.113576	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1531977"	231.107208	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"995146"	115.560426	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1591836"	232.021828	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1417496"	262.053338	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1153252"	136.073701	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1707176"	279.079885	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1636269"	284.03528	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1571676"	300.00922	"C00217"	"D-Glutamate;D-Glutamic acid;D-Glutaminic acid;D-2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"813225"	31.0422	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M"	0
"987733"	12.02381	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-H2O-H"	-19.01839
"76826"	19.687524	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M-3H"	-3.021828
"518092"	30.034924	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M-3H"	-3.021828
"894077"	9.340124	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-3H"	-3.021828
"13127"	30.034924	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M-2H"	-2.014552
"454917"	45.556024	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M-2H"	-2.014552
"827208"	14.513824	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-2H"	-2.014552
"88291"	61.077124	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M-H"	-1.007276
"523478"	92.119324	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M-H"	-1.007276
"908213"	30.034924	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-H"	-1.007276
"58943"	78.103671	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M-2H+NH4"	16.019271
"497407"	109.145871	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M-2H+NH4"	16.019271
"870835"	47.061471	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-2H+NH4"	16.019271
"38739"	83.059066	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M-2H+Na"	20.974666
"483768"	114.101266	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M-2H+Na"	20.974666
"861572"	52.016866	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-2H+Na"	20.974666
"1632812"	52.016866	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Na-2H"	20.974666
"109305"	48.023263	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M-H+Cl"	33.962126
"548906"	63.544363	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M-H+Cl"	33.962126
"942058"	32.502163	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-H+Cl"	33.962126
"281468"	97.053802	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+Cl"	34.969402
"674617"	128.096002	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+Cl"	34.969402
"1288239"	66.011602	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Cl"	34.969402
"30548"	99.033006	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M-2H+K"	36.948606
"468036"	130.075206	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M-2H+K"	36.948606
"837092"	67.990806	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-2H+K"	36.948606
"1567505"	67.990806	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+K-2H"	36.948606
"954295"	76.040394	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-H+HCOOH"	44.998194
"376521"	107.082601	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+HCOOH-H"	44.998201
"360405"	121.098251	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+Hac-H"	59.013851
"1507779"	90.056051	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Hac-H"	59.013851
"973135"	98.022351	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-H+NaCOOH"	66.980151
"123133"	66.011602	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+2Cl"	69.938804
"564160"	81.532702	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+2Cl"	69.938804
"1036239"	50.490502	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2Cl"	69.938804
"1251081"	109.961085	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Br"	78.918885
"1310979"	112.017072	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Cl+HCOOH"	80.974872
"1324100"	133.999029	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Cl+NaCOOH"	102.956829
"915159"	144.027786	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M-H+CF3COOH"	112.985586
"1294054"	180.004464	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Cl+CF3COOH"	148.962264
"1373309"	-3.970476	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H-2H2O"	-35.012676
"1389713"	14.0395	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H-H2O"	-17.0027
"289401"	63.091676	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+H"	1.007276
"685103"	94.133876	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+H"	1.007276
"1364367"	32.049476	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H"	1.007276
"139079"	32.049476	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+2H"	2.014552
"576089"	47.570576	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+2H"	2.014552
"1049260"	16.528376	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2H"	2.014552
"217157"	21.702076	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+3H"	3.021828
"655624"	32.049476	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+3H"	3.021828
"1175937"	11.354676	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+3H"	3.021828
"437024"	80.118223	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+NH4"	18.033823
"797658"	111.160423	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+NH4"	18.033823
"1683419"	49.076023	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+NH4"	18.033823
"334978"	40.5627495	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+H+NH4"	19.041099
"727400"	56.0838495	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+H+NH4"	19.041099
"1483409"	25.0416495	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H+NH4"	19.041099
"405369"	85.073618	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+Na"	22.989218
"763084"	116.115818	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+Na"	22.989218
"1615561"	54.031418	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Na"	22.989218
"329005"	43.040447	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+H+Na"	23.996494
"722240"	58.561547	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+H+Na"	23.996494
"1475002"	27.519347	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H+Na"	23.996494
"1065454"	18.68199	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2H+Na"	25.00377
"1269318"	64.075686	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+CH3OH+H"	33.033486
"388987"	101.047558	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+K"	38.963158
"750714"	132.089758	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+K"	38.963158
"1553127"	70.005358	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+K"	38.963158
"311397"	51.027417	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+H+K"	39.970434
"701265"	66.548517	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+H+K"	39.970434
"1456177"	35.506317	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H+K"	39.970434
"245876"	104.118226	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+ACN+H"	42.033826
"1219678"	73.076026	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+ACN+H"	42.033826
"1202107"	37.041651	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+ACN+2H"	43.041102
"194245"	107.05556	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+2Na-H"	44.97116
"635990"	138.09776	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+2Na-H"	44.97116
"1138410"	76.01336	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2Na-H"	44.97116
"183522"	54.031418	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+2Na"	45.978436
"622352"	69.552518	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+2Na"	45.978436
"1123673"	38.510318	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2Na"	45.978436
"1407197"	26.009304	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H+2Na"	46.985712
"1439678"	78.054946	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H+HCOOH"	47.012746
"230831"	59.06444	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+3H2O+2H"	56.04448
"1520716"	92.10699	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+IsoProp+H"	61.06479
"415664"	62.018388	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+Na+K"	61.952376
"771918"	77.539488	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+Na+K"	61.952376
"1668249"	46.497288	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Na+K"	61.952376
"256224"	126.100168	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+ACN+Na"	64.015768
"1229296"	95.057968	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+ACN+Na"	64.015768
"1717454"	95.081493	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+NH4+HCOOH"	64.039293
"1186461"	33.336618	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+3Na"	68.967654
"1662921"	100.036888	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Na+HCOOH"	68.994688
"169782"	139.00344	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+2K-H"	76.91904
"609343"	170.04564	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+2K-H"	76.91904
"1098108"	107.96124	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2K-H"	76.91904
"154561"	70.005358	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"2M+2K"	77.926316
"593391"	85.526458	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"3M+2K"	77.926316
"1079120"	54.484258	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2K"	77.926316
"1106864"	109.975792	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2K+H"	78.933592
"1339965"	110.063407	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+DMSO+H"	79.021207
"1009588"	114.102576	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2ACN+H"	83.060376
"1532087"	115.096208	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+IsoProp+Na+H"	84.054008
"994163"	57.554926	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+2ACN+2H"	84.067652
"1589758"	116.010828	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+K+HCOOH"	84.968628
"1416512"	146.042338	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+H+CF3COOH"	115.000138
"1152268"	78.068201	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+3ACN+2H"	125.094202
"1707286"	163.068885	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+NH4+CF3COOH"	132.026685
"1635286"	168.02428	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+Na+CF3COOH"	136.98208
"1572758"	183.99822	"C00218"	"Methylamine;Methanamine"	"CH5N"	"31.0422"	"M+K+CF3COOH"	152.95602
"813335"	304.2402	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M"	0
"989553"	285.22181	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"77996"	201.819524	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"517599"	303.232924	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"895036"	100.406124	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"13237"	303.232924	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"452797"	455.353024	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"827318"	151.112824	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"88401"	607.473124	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"526870"	911.713324	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"908684"	303.232924	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"55770"	624.499671	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"496423"	928.739871	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"870945"	320.259471	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"38849"	629.455066	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"481690"	933.695266	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"862410"	325.214866	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1634078"	325.214866	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"109950"	321.221263	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"549630"	473.341363	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"942293"	169.101163	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"282313"	643.449802	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"675099"	947.690002	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1288227"	339.209602	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"29808"	645.429006	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"470336"	949.669206	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"843035"	341.188806	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1569438"	341.188806	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"950032"	349.238394	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"374812"	653.478601	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"359790"	667.494251	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1507896"	363.254051	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"973369"	371.220351	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"123608"	339.209602	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"564389"	491.329702	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1035495"	187.089502	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1256960"	383.159085	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1319107"	385.215072	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1330772"	407.197029	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"925110"	417.225786	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1297445"	453.202464	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1379981"	269.227524	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1395290"	287.2375	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"292791"	609.487676	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"690928"	913.727876	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1366542"	305.247476	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"139916"	305.247476	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"581061"	457.367576	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1051556"	153.127376	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"217267"	203.834076	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"655734"	305.247476	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1177141"	102.420676	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"439199"	626.514223	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"799226"	930.754423	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1683531"	322.274023	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"332173"	313.7607495	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"726782"	465.8808495	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1481696"	161.6406495	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"404385"	631.469618	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"765381"	935.709818	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1616643"	327.229418	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"329684"	316.238447	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"722511"	468.358547	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1475113"	164.118347	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1067752"	109.74799	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1271864"	337.273686	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"390191"	647.443558	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"753011"	951.683758	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1553602"	343.203358	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"311142"	324.225417	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"700282"	476.345517	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1457381"	172.105317	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"245986"	650.514226	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1219788"	346.274026	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1204768"	173.640651	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"200552"	653.45156	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"636100"	957.69176	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1136699"	349.21136	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"184727"	327.229418	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"625744"	479.349518	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1128157"	175.109318	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1406212"	117.075304	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1435412"	351.252946	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"226201"	332.26244	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1514994"	365.30499	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"412126"	335.216388	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"771663"	487.336488	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1667994"	183.096288	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"252689"	672.496168	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1227220"	368.255968	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1718658"	368.279493	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1185475"	124.402618	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1663397"	373.234888	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"170623"	685.39944	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"608726"	989.63964	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1097977"	381.15924	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"155521"	343.203358	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"592529"	495.323458	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1077043"	191.083258	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1108064"	383.173792	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1340076"	383.261407	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1008606"	387.300576	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1530010"	388.294208	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"994273"	194.153926	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1589868"	389.208828	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1416622"	419.240338	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1150191"	214.667201	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1705209"	436.266885	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1635760"	441.22228	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1572504"	457.19622	"C00219"	"Arachidonate;Arachidonic acid;(5Z8Z11Z14Z)-Icosatetraenoic acid;cis-581114-Eicosatetraenoic acid"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"814538"	319.091	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M"	0
"988074"	300.07261	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-H2O-H"	-19.01839
"77410"	211.720057333333	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M-3H"	-3.021828
"517700"	318.083724	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M-3H"	-3.021828
"895605"	105.356390666667	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-3H"	-3.021828
"10067"	318.083724	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M-2H"	-2.014552
"451814"	477.629224	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M-2H"	-2.014552
"826335"	158.538224	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-2H"	-2.014552
"85231"	637.174724	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M-H"	-1.007276
"524794"	956.265724	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M-H"	-1.007276
"908064"	318.083724	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-H"	-1.007276
"59158"	654.201271	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M-2H+NH4"	16.019271
"493253"	973.292271	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M-2H+NH4"	16.019271
"866194"	335.110271	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-2H+NH4"	16.019271
"38959"	659.156666	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M-2H+Na"	20.974666
"481800"	978.247666	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M-2H+Na"	20.974666
"855228"	340.065666	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-2H+Na"	20.974666
"1632423"	340.065666	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Na-2H"	20.974666
"109409"	336.072063	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M-H+Cl"	33.962126
"549010"	495.617563	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M-H+Cl"	33.962126
"941552"	176.526563	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-H+Cl"	33.962126
"282055"	673.151402	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+Cl"	34.969402
"674964"	992.242402	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+Cl"	34.969402
"1287735"	354.060402	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Cl"	34.969402
"30645"	675.130606	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M-2H+K"	36.948606
"470445"	994.221606	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M-2H+K"	36.948606
"847640"	356.039606	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-2H+K"	36.948606
"1568818"	356.039606	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+K-2H"	36.948606
"957430"	364.089194	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-H+HCOOH"	44.998194
"375648"	683.180201	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+HCOOH-H"	44.998201
"360629"	697.195851	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+Hac-H"	59.013851
"1507886"	378.104851	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Hac-H"	59.013851
"973112"	386.071151	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-H+NaCOOH"	66.980151
"122989"	354.060402	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+2Cl"	69.938804
"564863"	513.605902	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+2Cl"	69.938804
"1035241"	194.514902	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2Cl"	69.938804
"1256728"	398.009885	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Br"	78.918885
"1319302"	400.065872	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Cl+HCOOH"	80.974872
"1334162"	422.047829	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Cl+NaCOOH"	102.956829
"926438"	432.076586	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M-H+CF3COOH"	112.985586
"1302901"	468.053264	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Cl+CF3COOH"	148.962264
"1382238"	284.078324	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H-2H2O"	-35.012676
"1397588"	302.0883	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H-H2O"	-17.0027
"296181"	639.189276	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+H"	1.007276
"691161"	958.280276	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+H"	1.007276
"1366939"	320.098276	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H"	1.007276
"140026"	320.098276	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+2H"	2.014552
"581373"	479.643776	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+2H"	2.014552
"1052739"	160.552776	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2H"	2.014552
"216284"	213.734609333333	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+3H"	3.021828
"654751"	320.098276	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+3H"	3.021828
"1176157"	107.370942666667	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+3H"	3.021828
"437973"	656.215823	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+NH4"	18.033823
"799336"	975.306823	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+NH4"	18.033823
"1684005"	337.124823	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+NH4"	18.033823
"333375"	328.6115495	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+H+NH4"	19.041099
"724825"	488.1570495	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+H+NH4"	19.041099
"1481804"	169.0660495	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H+NH4"	19.041099
"398298"	661.171218	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+Na"	22.989218
"760387"	980.262218	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+Na"	22.989218
"1613594"	342.080218	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Na"	22.989218
"328008"	331.089247	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+H+Na"	23.996494
"722213"	490.634747	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+H+Na"	23.996494
"1475344"	171.543747	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H+Na"	23.996494
"1067497"	114.698256666667	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2H+Na"	25.00377
"1271362"	352.124486	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+CH3OH+H"	33.033486
"388479"	677.145158	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+K"	38.963158
"752755"	996.236158	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+K"	38.963158
"1552982"	358.054158	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+K"	38.963158
"309065"	339.076217	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+H+K"	39.970434
"700391"	498.621717	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+H+K"	39.970434
"1457491"	179.530717	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H+K"	39.970434
"245000"	680.215826	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+ACN+H"	42.033826
"1217712"	361.124826	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+ACN+H"	42.033826
"1200498"	181.066051	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+ACN+2H"	43.041102
"198476"	683.15316	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+2Na-H"	44.97116
"636210"	1002.24416	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+2Na-H"	44.97116
"1137900"	364.06216	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2Na-H"	44.97116
"184836"	342.080218	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+2Na"	45.978436
"624760"	501.625718	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+2Na"	45.978436
"1128631"	182.534718	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2Na"	45.978436
"1407050"	122.025570666667	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H+2Na"	46.985712
"1435522"	366.103746	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H+HCOOH"	47.012746
"225947"	347.11324	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+3H2O+2H"	56.04448
"1515104"	380.15579	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+IsoProp+H"	61.06479
"411143"	350.067188	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+Na+K"	61.952376
"771408"	509.612688	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+Na+K"	61.952376
"1668104"	190.521688	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Na+K"	61.952376
"252799"	702.197768	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+ACN+Na"	64.015768
"1227330"	383.106768	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+ACN+Na"	64.015768
"1716582"	383.130293	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+NH4+HCOOH"	64.039293
"1186678"	129.352884666667	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+3Na"	68.967654
"1663141"	388.085688	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Na+HCOOH"	68.994688
"171095"	715.10104	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+2K-H"	76.91904
"610293"	1034.19204	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+2K-H"	76.91904
"1098451"	396.01004	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2K-H"	76.91904
"156238"	358.054158	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"2M+2K"	77.926316
"592639"	517.599658	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"3M+2K"	77.926316
"1076060"	198.508658	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2K"	77.926316
"1107081"	398.024592	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2K+H"	78.933592
"1341279"	398.112207	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+DMSO+H"	79.021207
"1009809"	402.151376	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2ACN+H"	83.060376
"1530120"	403.145008	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+IsoProp+Na+H"	84.054008
"992196"	201.579326	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+2ACN+2H"	84.067652
"1589977"	404.059628	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+K+HCOOH"	84.968628
"1416732"	434.091138	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+H+CF3COOH"	115.000138
"1152488"	222.092601	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+3ACN+2H"	125.094202
"1705319"	451.117685	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+NH4+CF3COOH"	132.026685
"1635506"	456.07308	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+Na+CF3COOH"	136.98208
"1572614"	472.04702	"C00220"	"Methylene blue;Methylthioninium chloride"	"C16H18N3SCl"	"319.091"	"M+K+CF3COOH"	152.95602
"813555"	180.0634	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M"	0
"984902"	161.04501	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"77520"	119.034990666667	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"514893"	179.056124	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"894965"	59.0138573333333	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"6895"	179.056124	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"441717"	269.087824	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"822070"	89.024424	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"85340"	359.119524	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"519797"	539.182924	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"898330"	179.056124	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"52706"	376.146071	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"490083"	556.209471	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"864269"	196.082671	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"31724"	381.101466	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"474255"	561.164866	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"855338"	201.038066	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1633621"	201.038066	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"108332"	197.044463	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"548259"	287.076163	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"942633"	107.012763	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"282649"	395.096202	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"675313"	575.159602	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1288275"	215.032802	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"30950"	397.075406	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"470915"	577.138806	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"846530"	217.012006	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1571113"	217.012006	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"956806"	225.061594	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"372834"	405.125001	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"357450"	419.140651	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1505190"	239.077251	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"973790"	247.043551	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"123099"	215.032802	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"563391"	305.064502	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1030366"	125.001102	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1256512"	258.982285	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1319324"	261.038272	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1334758"	283.020229	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919862"	293.048986	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1300945"	329.025664	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1378012"	145.050724	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1392229"	163.0607	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"291916"	361.134076	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"688712"	541.197476	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1365790"	181.070676	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"139042"	181.070676	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"573135"	271.102376	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1044121"	91.038976	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"208739"	121.049542666667	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"647203"	181.070676	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1172985"	61.0284093333333	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"436262"	378.160623	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"795073"	558.224023	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1681432"	198.097223	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"330187"	189.5839495	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"723017"	279.6156495	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1477130"	99.5522495	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"392895"	383.116018	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"754259"	563.179418	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1613704"	203.052618	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"325928"	192.061647	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"721270"	282.093347	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1475454"	102.029947	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1067611"	68.3557233333333	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1271108"	213.096886	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"388589"	399.089958	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"749585"	579.153358	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1553092"	219.026558	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"309175"	200.048617	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"700501"	290.080317	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1455414"	110.016917	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"244017"	402.160626	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1218914"	222.097226	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1200608"	111.552251	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"198950"	405.09796	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"636320"	585.16136	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1142022"	225.03456	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"185310"	203.052618	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"623776"	293.084318	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1128375"	113.020918	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1406432"	75.6830373333333	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1435996"	227.076146	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"226057"	208.08564	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1515214"	241.12819	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"412710"	211.039588	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"770425"	301.071288	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1668213"	121.007888	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"251768"	424.142568	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1227440"	244.079168	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1715599"	244.102693	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1182415"	83.0103513333333	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1661060"	249.058088	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"166830"	437.04584	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"607487"	617.10924	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1098197"	256.98244	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"154282"	219.026558	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"592749"	309.058258	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1078356"	128.994858	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1107190"	258.996992	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1339203"	259.084607	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1012105"	263.123776	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1529137"	264.117408	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"992306"	132.065526	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1590087"	265.032028	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1416112"	295.063538	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1150411"	152.578801	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1704335"	312.090085	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1635615"	317.04548	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1572358"	333.01942	"C00221"	"beta-D-Glucose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"815489"	88.016	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M"	0
"985012"	68.99761	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-H2O-H"	-19.01839
"75443"	57.6700573333333	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M-3H"	-3.021828
"515003"	87.008724	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M-3H"	-3.021828
"894750"	28.3313906666667	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-3H"	-3.021828
"7005"	87.008724	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M-2H"	-2.014552
"442192"	131.016724	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M-2H"	-2.014552
"821087"	43.000724	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-2H"	-2.014552
"82170"	175.024724	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M-H"	-1.007276
"522823"	263.040724	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M-H"	-1.007276
"900619"	87.008724	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-H"	-1.007276
"51718"	192.051271	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M-2H+NH4"	16.019271
"495660"	280.067271	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M-2H+NH4"	16.019271
"864256"	104.035271	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-2H+NH4"	16.019271
"31531"	197.006666	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M-2H+Na"	20.974666
"474365"	285.022666	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M-2H+Na"	20.974666
"856541"	108.990666	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-2H+Na"	20.974666
"1631545"	108.990666	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Na-2H"	20.974666
"108442"	104.997063	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M-H+Cl"	33.962126
"548975"	149.005063	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M-H+Cl"	33.962126
"942618"	60.989063	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-H+Cl"	33.962126
"282509"	211.001402	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+Cl"	34.969402
"675530"	299.017402	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+Cl"	34.969402
"1288308"	122.985402	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Cl"	34.969402
"30371"	212.980606	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M-2H+K"	36.948606
"469568"	300.996606	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M-2H+K"	36.948606
"847006"	124.964606	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-2H+K"	36.948606
"1570738"	124.964606	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+K-2H"	36.948606
"955823"	133.014194	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-H+HCOOH"	44.998194
"369664"	221.030201	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+HCOOH-H"	44.998201
"356831"	235.045851	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+Hac-H"	59.013851
"1505299"	147.029851	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Hac-H"	59.013851
"972845"	154.996151	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-H+NaCOOH"	66.980151
"123209"	122.985402	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+2Cl"	69.938804
"562772"	166.993402	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+2Cl"	69.938804
"1025009"	78.977402	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2Cl"	69.938804
"1246775"	166.934885	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Br"	78.918885
"1319070"	168.990872	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Cl+HCOOH"	80.974872
"1335110"	190.972829	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Cl+NaCOOH"	102.956829
"923252"	201.001586	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M-H+CF3COOH"	112.985586
"1302149"	236.978264	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Cl+CF3COOH"	148.962264
"1378122"	53.003324	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H-2H2O"	-35.012676
"1393432"	71.0133	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H-H2O"	-17.0027
"292026"	177.039276	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+H"	1.007276
"688822"	265.055276	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+H"	1.007276
"1366263"	89.023276	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H"	1.007276
"135872"	89.023276	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+2H"	2.014552
"573245"	133.031276	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+2H"	2.014552
"1040951"	45.015276	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2H"	2.014552
"207756"	59.6846093333333	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+3H"	3.021828
"646220"	89.023276	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+3H"	3.021828
"1164346"	30.3459426666667	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+3H"	3.021828
"437465"	194.065823	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+NH4"	18.033823
"791903"	282.081823	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+NH4"	18.033823
"1681312"	106.049823	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+NH4"	18.033823
"330100"	97.5365495	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+H+NH4"	19.041099
"722810"	141.5445495	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+H+NH4"	19.041099
"1478009"	53.5285495	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H+NH4"	19.041099
"393042"	199.021218	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+Na"	22.989218
"754474"	287.037218	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+Na"	22.989218
"1612719"	111.005218	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Na"	22.989218
"326038"	100.014247	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+H+Na"	23.996494
"721740"	144.022247	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+H+Na"	23.996494
"1475561"	56.006247	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H+Na"	23.996494
"1066259"	37.6732566666667	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2H+Na"	25.00377
"1271948"	121.049486	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+CH3OH+H"	33.033486
"390156"	214.995158	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+K"	38.963158
"751151"	303.011158	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+K"	38.963158
"1552108"	126.979158	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+K"	38.963158
"309285"	108.001217	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+H+K"	39.970434
"699518"	152.009217	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+H+K"	39.970434
"1456617"	63.993217	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H+K"	39.970434
"245220"	218.065826	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+ACN+H"	42.033826
"1220116"	130.049826	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+ACN+H"	42.033826
"1197438"	65.528551	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+ACN+2H"	43.041102
"197967"	221.00316	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+2Na-H"	44.97116
"635337"	309.01916	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+2Na-H"	44.97116
"1139945"	132.98716	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2Na-H"	44.97116
"184326"	111.005218	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+2Na"	45.978436
"624979"	155.013218	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+2Na"	45.978436
"1128485"	66.997218	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2Na"	45.978436
"1406543"	45.0005706666667	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H+2Na"	46.985712
"1438658"	135.028746	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H+HCOOH"	47.012746
"229447"	116.03824	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+3H2O+2H"	56.04448
"1513137"	149.08079	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+IsoProp+H"	61.06479
"413915"	118.992188	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+Na+K"	61.952376
"771628"	163.000188	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+Na+K"	61.952376
"1665806"	74.984188	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Na+K"	61.952376
"251717"	240.047768	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+ACN+Na"	64.015768
"1227550"	152.031768	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+ACN+Na"	64.015768
"1713884"	152.055293	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+NH4+HCOOH"	64.039293
"1182525"	52.3278846666667	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+3Na"	68.967654
"1661170"	157.010688	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Na+HCOOH"	68.994688
"168033"	252.95104	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+2K-H"	76.91904
"607597"	340.96704	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+2K-H"	76.91904
"1097455"	164.93504	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2K-H"	76.91904
"150018"	126.979158	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"2M+2K"	77.926316
"588485"	170.987158	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"3M+2K"	77.926316
"1078466"	82.971158	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2K"	77.926316
"1107301"	166.949592	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2K+H"	78.933592
"1339313"	167.037207	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+DMSO+H"	79.021207
"1007842"	171.076376	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2ACN+H"	83.060376
"1529246"	172.070008	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+IsoProp+Na+H"	84.054008
"991686"	86.041826	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+2ACN+2H"	84.067652
"1590197"	172.984628	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+K+HCOOH"	84.968628
"1414358"	203.016138	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+H+CF3COOH"	115.000138
"1149428"	106.555101	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+3ACN+2H"	125.094202
"1702258"	220.042685	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+NH4+CF3COOH"	132.026685
"1635725"	224.99808	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+Na+CF3COOH"	136.98208
"1572470"	240.97202	"C00222"	"3-Oxopropanoate;Malonate semialdehyde"	"C3H4O3"	"88.016"	"M+K+CF3COOH"	152.95602
"815597"	913.152	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M"	0
"986216"	894.13361	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-H2O-H"	-19.01839
"72273"	607.760724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M-3H"	-3.021828
"515113"	912.144724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M-3H"	-3.021828
"894981"	303.376724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-3H"	-3.021828
"9303"	912.144724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M-2H"	-2.014552
"445583"	1368.720724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M-2H"	-2.014552
"817917"	455.568724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-2H"	-2.014552
"82280"	1825.296724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M-H"	-1.007276
"522933"	2738.448724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M-H"	-1.007276
"898543"	912.144724	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-H"	-1.007276
"51828"	1842.323271	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M-2H+NH4"	16.019271
"496862"	2755.475271	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M-2H+NH4"	16.019271
"864332"	929.171271	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-2H+NH4"	16.019271
"34914"	1847.278666	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M-2H+Na"	20.974666
"475568"	2760.430666	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M-2H+Na"	20.974666
"856651"	934.126666	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-2H+Na"	20.974666
"1631656"	934.126666	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Na-2H"	20.974666
"106730"	930.133063	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M-H+Cl"	33.962126
"549375"	1386.709063	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M-H+Cl"	33.962126
"942201"	473.557063	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-H+Cl"	33.962126
"282379"	1861.273402	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+Cl"	34.969402
"674799"	2774.425402	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+Cl"	34.969402
"1288056"	948.121402	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Cl"	34.969402
"29998"	1863.252606	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M-2H+K"	36.948606
"468948"	2776.404606	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M-2H+K"	36.948606
"848089"	950.100606	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-2H+K"	36.948606
"1568050"	950.100606	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+K-2H"	36.948606
"955933"	958.150194	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-H+HCOOH"	44.998194
"373054"	1871.302201	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+HCOOH-H"	44.998201
"352564"	1885.317851	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+Hac-H"	59.013851
"1500300"	972.165851	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Hac-H"	59.013851
"968934"	980.132151	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-H+NaCOOH"	66.980151
"120032"	948.121402	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+2Cl"	69.938804
"562154"	1404.697402	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+2Cl"	69.938804
"1028399"	491.545402	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2Cl"	69.938804
"1249072"	992.070885	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Br"	78.918885
"1316263"	994.126872	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Cl+HCOOH"	80.974872
"1331209"	1016.108829	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Cl+NaCOOH"	102.956829
"926647"	1026.137586	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M-H+CF3COOH"	112.985586
"1303354"	1062.114264	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Cl+CF3COOH"	148.962264
"1381516"	878.139324	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H-2H2O"	-35.012676
"1393542"	896.1493	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H-H2O"	-17.0027
"294323"	1827.311276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+H"	1.007276
"690028"	2740.463276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+H"	1.007276
"1365281"	914.159276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H"	1.007276
"140356"	914.159276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+2H"	2.014552
"577730"	1370.735276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+2H"	2.014552
"1047622"	457.583276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2H"	2.014552
"210055"	609.775276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+3H"	3.021828
"652893"	914.159276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+3H"	3.021828
"1173205"	305.391276	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+3H"	3.021828
"437575"	1844.337823	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+NH4"	18.033823
"798573"	2757.489823	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+NH4"	18.033823
"1681447"	931.185823	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+NH4"	18.033823
"330661"	922.6725495	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+H+NH4"	19.041099
"722922"	1379.2485495	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+H+NH4"	19.041099
"1477998"	466.0965495	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H+NH4"	19.041099
"395710"	1849.293218	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+Na"	22.989218
"757434"	2762.445218	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+Na"	22.989218
"1611736"	936.141218	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Na"	22.989218
"326148"	925.150247	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+H+Na"	23.996494
"718571"	1381.726247	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+H+Na"	23.996494
"1475309"	468.574247	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H+Na"	23.996494
"1065885"	312.71859	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2H+Na"	25.00377
"1271088"	946.185486	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+CH3OH+H"	33.033486
"391359"	1865.267158	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+K"	38.963158
"750897"	2778.419158	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+K"	38.963158
"1552218"	952.115158	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+K"	38.963158
"310488"	933.137217	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+H+K"	39.970434
"699628"	1389.713217	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+H+K"	39.970434
"1455635"	476.561217	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H+K"	39.970434
"242050"	1868.337826	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+ACN+H"	42.033826
"1219133"	955.185826	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+ACN+H"	42.033826
"1197548"	478.096551	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+ACN+2H"	43.041102
"195160"	1871.27516	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+2Na-H"	44.97116
"635447"	2784.42716	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+2Na-H"	44.97116
"1141148"	958.12316	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2Na-H"	44.97116
"183342"	936.141218	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+2Na"	45.978436
"620350"	1392.717218	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+2Na"	45.978436
"1126409"	479.565218	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2Na"	45.978436
"1406654"	320.045904	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H+2Na"	46.985712
"1442415"	960.164746	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H+HCOOH"	47.012746
"232110"	941.17424	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+3H2O+2H"	56.04448
"1516527"	974.21679	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+IsoProp+H"	61.06479
"414026"	944.128188	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+Na+K"	61.952376
"776113"	1400.704188	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+Na+K"	61.952376
"1665633"	487.552188	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Na+K"	61.952376
"251467"	1890.319768	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+ACN+Na"	64.015768
"1225708"	977.167768	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+ACN+Na"	64.015768
"1713506"	977.191293	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+NH4+HCOOH"	64.039293
"1181540"	327.373218	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+3Na"	68.967654
"1661281"	982.146688	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Na+HCOOH"	68.994688
"168145"	1903.22304	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+2K-H"	76.91904
"609898"	2816.37504	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+2K-H"	76.91904
"1096231"	990.07104	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2K-H"	76.91904
"154508"	952.115158	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"2M+2K"	77.926316
"590783"	1408.691158	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"3M+2K"	77.926316
"1072016"	495.539158	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2K"	77.926316
"1104132"	992.085592	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2K+H"	78.933592
"1335856"	992.173207	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+DMSO+H"	79.021207
"1007951"	996.212376	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2ACN+H"	83.060376
"1526076"	997.206008	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+IsoProp+Na+H"	84.054008
"990134"	498.609826	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+2ACN+2H"	84.067652
"1589214"	998.120628	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+K+HCOOH"	84.968628
"1418155"	1028.152138	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+H+CF3COOH"	115.000138
"1151724"	519.123101	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+3ACN+2H"	125.094202
"1704556"	1045.178685	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+NH4+CF3COOH"	132.026685
"1635834"	1050.13408	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+Na+CF3COOH"	136.98208
"1572944"	1066.10802	"C00223"	"p-Coumaroyl-CoA;4-Coumaroyl-CoA;4-Hydroxycinnamoyl-CoA"	"C30H42N7O18P3S"	"913.152"	"M+K+CF3COOH"	152.95602
"816073"	427.0199	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M"	0
"986691"	408.00151	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-H2O-H"	-19.01839
"72383"	283.672657333333	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M-3H"	-3.021828
"515223"	426.012624	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M-3H"	-3.021828
"891933"	141.332690666667	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-3H"	-3.021828
"9413"	426.012624	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M-2H"	-2.014552
"446786"	639.522574	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M-2H"	-2.014552
"820213"	212.502674	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-2H"	-2.014552
"82390"	853.032524	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M-H"	-1.007276
"523043"	1280.052424	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M-H"	-1.007276
"898288"	426.012624	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-H"	-1.007276
"51938"	870.059071	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M-2H+NH4"	16.019271
"488709"	1297.078971	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M-2H+NH4"	16.019271
"864805"	443.039171	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-2H+NH4"	16.019271
"35024"	875.014466	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M-2H+Na"	20.974666
"472760"	1302.034366	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M-2H+Na"	20.974666
"856761"	447.994566	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-2H+Na"	20.974666
"1633548"	447.994566	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Na-2H"	20.974666
"108662"	444.000963	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M-H+Cl"	33.962126
"548830"	657.510913	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M-H+Cl"	33.962126
"940279"	230.491013	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-H+Cl"	33.962126
"281269"	889.009202	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+Cl"	34.969402
"674788"	1316.029102	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+Cl"	34.969402
"1288046"	461.989302	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Cl"	34.969402
"29987"	890.988406	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M-2H+K"	36.948606
"466871"	1318.008306	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M-2H+K"	36.948606
"844672"	463.968506	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-2H+K"	36.948606
"1564878"	463.968506	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+K-2H"	36.948606
"956044"	472.018094	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-H+HCOOH"	44.998194
"372072"	899.038001	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+HCOOH-H"	44.998201
"353767"	913.053651	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+Hac-H"	59.013851
"1498588"	486.033751	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Hac-H"	59.013851
"969044"	494.000051	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-H+NaCOOH"	66.980151
"120871"	461.989302	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+2Cl"	69.938804
"563720"	675.499252	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+2Cl"	69.938804
"1032882"	248.479352	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2Cl"	69.938804
"1245902"	505.938785	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Br"	78.918885
"1316737"	507.994772	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Cl+HCOOH"	80.974872
"1332411"	529.976729	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Cl+NaCOOH"	102.956829
"922375"	540.005486	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M-H+CF3COOH"	112.985586
"1296900"	575.982164	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Cl+CF3COOH"	148.962264
"1378342"	392.007224	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H-2H2O"	-35.012676
"1392559"	410.0172	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H-H2O"	-17.0027
"295526"	855.047076	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+H"	1.007276
"690135"	1282.066976	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+H"	1.007276
"1363202"	428.027176	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H"	1.007276
"133905"	428.027176	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+2H"	2.014552
"578933"	641.537126	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+2H"	2.014552
"1049918"	214.517226	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2H"	2.014552
"210529"	285.687209333333	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+3H"	3.021828
"650817"	428.027176	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+3H"	3.021828
"1172223"	143.347242666667	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+3H"	3.021828
"433309"	872.073623	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+NH4"	18.033823
"798683"	1299.093523	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+NH4"	18.033823
"1682253"	445.053723	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+NH4"	18.033823
"330770"	436.5404495	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+H+NH4"	19.041099
"723439"	650.0503995	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+H+NH4"	19.041099
"1477863"	223.0304995	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H+NH4"	19.041099
"396549"	877.029018	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+Na"	22.989218
"758274"	1304.048918	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+Na"	22.989218
"1610753"	450.009118	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Na"	22.989218
"325165"	439.018147	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+H+Na"	23.996494
"719774"	652.528097	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+H+Na"	23.996494
"1476147"	225.508197	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H+Na"	23.996494
"1067331"	150.674556666667	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2H+Na"	25.00377
"1271684"	460.053386	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+CH3OH+H"	33.033486
"391105"	893.002958	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+K"	38.963158
"752100"	1320.022858	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+K"	38.963158
"1552328"	465.983058	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+K"	38.963158
"310598"	447.005117	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+H+K"	39.970434
"699738"	660.515067	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+H+K"	39.970434
"1455381"	233.495167	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H+K"	39.970434
"243253"	896.073626	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+ACN+H"	42.033826
"1213774"	469.053726	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+ACN+H"	42.033826
"1197658"	235.030501	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+ACN+2H"	43.041102
"195996"	899.01096	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+2Na-H"	44.97116
"630332"	1326.03086	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+2Na-H"	44.97116
"1141258"	471.99106	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2Na-H"	44.97116
"183452"	450.009118	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+2Na"	45.978436
"625201"	663.519068	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+2Na"	45.978436
"1127614"	236.499168	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2Na"	45.978436
"1406400"	158.001870666667	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H+2Na"	46.985712
"1443254"	474.032646	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H+HCOOH"	47.012746
"229304"	455.04214	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+3H2O+2H"	56.04448
"1518460"	488.08469	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+IsoProp+H"	61.06479
"414136"	457.996088	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+Na+K"	61.952376
"772943"	671.506038	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+Na+K"	61.952376
"1667207"	244.486138	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Na+K"	61.952376
"251822"	918.055568	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+ACN+Na"	64.015768
"1225827"	491.035668	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+ACN+Na"	64.015768
"1713616"	491.059193	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+NH4+HCOOH"	64.039293
"1180187"	165.329184666667	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+3Na"	68.967654
"1653732"	496.014588	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Na+HCOOH"	68.994688
"168254"	930.95884	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+2K-H"	76.91904
"610736"	1357.97874	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+2K-H"	76.91904
"1098527"	503.93894	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2K-H"	76.91904
"156076"	465.983058	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"2M+2K"	77.926316
"589800"	679.493008	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"3M+2K"	77.926316
"1072127"	252.473108	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2K"	77.926316
"1107523"	505.953492	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2K+H"	78.933592
"1336128"	506.041107	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+DMSO+H"	79.021207
"1006480"	510.080276	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2ACN+H"	83.060376
"1526187"	511.073908	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+IsoProp+Na+H"	84.054008
"990325"	255.543776	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+2ACN+2H"	84.067652
"1587420"	511.988528	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+K+HCOOH"	84.968628
"1418265"	542.020038	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+H+CF3COOH"	115.000138
"1151835"	276.057051	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+3ACN+2H"	125.094202
"1703572"	559.046585	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+NH4+CF3COOH"	132.026685
"1637037"	564.00198	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+Na+CF3COOH"	136.98208
"1571474"	579.97592	"C00224"	"Adenylyl sulfate;Adenosine 5-phosphosulfate;APS;5-Adenylyl sulfate"	"C10H14N5O10PS"	"427.0199"	"M+K+CF3COOH"	152.95602
"816508"	256.0534	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M"	0
"985343"	237.03501	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-H2O-H"	-19.01839
"73587"	169.694990666667	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M-3H"	-3.021828
"515334"	255.046124	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M-3H"	-3.021828
"890949"	84.3438573333333	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-3H"	-3.021828
"10617"	255.046124	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M-2H"	-2.014552
"447989"	383.072824	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M-2H"	-2.014552
"820323"	127.019424	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-2H"	-2.014552
"82500"	511.099524	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M-H"	-1.007276
"525339"	767.152924	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M-H"	-1.007276
"898400"	255.046124	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-H"	-1.007276
"54234"	528.126071	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M-2H+NH4"	16.019271
"490520"	784.179471	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M-2H+NH4"	16.019271
"865771"	272.072671	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-2H+NH4"	16.019271
"36228"	533.081466	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M-2H+Na"	20.974666
"474695"	789.134866	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M-2H+Na"	20.974666
"856871"	277.028066	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-2H+Na"	20.974666
"1631511"	277.028066	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Na-2H"	20.974666
"109710"	273.034463	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M-H+Cl"	33.962126
"548821"	401.061163	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M-H+Cl"	33.962126
"940390"	145.007763	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-H+Cl"	33.962126
"282519"	547.076202	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+Cl"	34.969402
"675024"	803.129602	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+Cl"	34.969402
"1288234"	291.022802	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Cl"	34.969402
"29609"	549.055406	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M-2H+K"	36.948606
"469168"	805.108806	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M-2H+K"	36.948606
"846969"	293.002006	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-2H+K"	36.948606
"1570458"	293.002006	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+K-2H"	36.948606
"956883"	301.051594	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-H+HCOOH"	44.998194
"374369"	557.105001	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+HCOOH-H"	44.998201
"353513"	571.120651	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+Hac-H"	59.013851
"1498698"	315.067251	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Hac-H"	59.013851
"964783"	323.033551	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-H+NaCOOH"	66.980151
"118064"	291.022802	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+2Cl"	69.938804
"560915"	419.049502	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+2Cl"	69.938804
"1032993"	162.996102	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2Cl"	69.938804
"1244919"	334.972285	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Br"	78.918885
"1318305"	337.028272	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Cl+HCOOH"	80.974872
"1331426"	359.010229	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Cl+NaCOOH"	102.956829
"921392"	369.038986	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M-H+CF3COOH"	112.985586
"1297010"	405.015664	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Cl+CF3COOH"	148.962264
"1380640"	221.040724	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H-2H2O"	-35.012676
"1393762"	239.0507	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H-H2O"	-17.0027
"294543"	513.114076	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+H"	1.007276
"689882"	769.167476	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+H"	1.007276
"1364406"	257.060676	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H"	1.007276
"138388"	257.060676	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+2H"	2.014552
"574670"	385.087376	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+2H"	2.014552
"1047842"	129.033976	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2H"	2.014552
"213556"	171.709542666667	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+3H"	3.021828
"654208"	257.060676	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+3H"	3.021828
"1177681"	86.3584093333333	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+3H"	3.021828
"432323"	530.140623	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+NH4"	18.033823
"793326"	786.194023	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+NH4"	18.033823
"1681550"	274.087223	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+NH4"	18.033823
"330400"	265.5739495	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+H+NH4"	19.041099
"723785"	393.6006495	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+H+NH4"	19.041099
"1478707"	137.5472495	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H+NH4"	19.041099
"398483"	535.096018	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+Na"	22.989218
"761664"	791.149418	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+Na"	22.989218
"1611956"	279.042618	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Na"	22.989218
"325275"	268.051647	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+H+Na"	23.996494
"717697"	396.078347	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+H+Na"	23.996494
"1473705"	140.024947	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H+Na"	23.996494
"1067441"	93.6857233333333	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2H+Na"	25.00377
"1271791"	289.086886	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+CH3OH+H"	33.033486
"392189"	551.069958	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+K"	38.963158
"752945"	807.123358	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+K"	38.963158
"1551346"	295.016558	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+K"	38.963158
"308522"	276.038617	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+H+K"	39.970434
"700942"	404.065317	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+H+K"	39.970434
"1454763"	148.011917	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H+K"	39.970434
"243363"	554.140626	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+ACN+H"	42.033826
"1216071"	298.087226	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+ACN+H"	42.033826
"1201048"	149.547251	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+ACN+2H"	43.041102
"197202"	557.07796	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+2Na-H"	44.97116
"637855"	813.13136	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+2Na-H"	44.97116
"1143921"	301.02456	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2Na-H"	44.97116
"185385"	279.042618	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+2Na"	45.978436
"624582"	407.069318	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+2Na"	45.978436
"1127359"	151.015918	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2Na"	45.978436
"1411613"	101.013037333333	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H+2Na"	46.985712
"1445274"	303.066146	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H+HCOOH"	47.012746
"235252"	284.07564	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+3H2O+2H"	56.04448
"1521485"	317.11819	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+IsoProp+H"	61.06479
"415339"	287.029588	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+Na+K"	61.952376
"774146"	415.056288	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+Na+K"	61.952376
"1668289"	159.002888	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Na+K"	61.952376
"253710"	576.122568	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+ACN+Na"	64.015768
"1227517"	320.069168	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+ACN+Na"	64.015768
"1716398"	320.092693	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+NH4+HCOOH"	64.039293
"1182848"	108.340351333333	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+3Na"	68.967654
"1653842"	325.048088	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Na+HCOOH"	68.994688
"168364"	589.02584	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+2K-H"	76.91904
"610484"	845.07924	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+2K-H"	76.91904
"1095357"	332.97244	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2K-H"	76.91904
"151079"	295.016558	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"2M+2K"	77.926316
"592828"	423.043258	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"3M+2K"	77.926316
"1078798"	166.989858	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2K"	77.926316
"1113468"	334.986992	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2K+H"	78.933592
"1339643"	335.074607	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+DMSO+H"	79.021207
"1007079"	339.113776	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2ACN+H"	83.060376
"1528485"	340.107408	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+IsoProp+Na+H"	84.054008
"989998"	170.060526	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+2ACN+2H"	84.067652
"1587204"	341.022028	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+K+HCOOH"	84.968628
"1414367"	371.053538	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+H+CF3COOH"	115.000138
"1148666"	190.573801	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+3ACN+2H"	125.094202
"1703683"	388.080085	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+NH4+CF3COOH"	132.026685
"1634962"	393.03548	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+Na+CF3COOH"	136.98208
"1572801"	409.00942	"C00225"	"Methyl viologen;Paraquat dichloride;11-Dimethyl-44-bipyridinium dichloride"	"C12H14N22Cl"	"256.0534"	"M+K+CF3COOH"	152.95602
"815198"	139.9875	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M"	0
"986547"	120.96911	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-H2O-H"	-19.01839
"75883"	92.317724	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M-3H"	-3.021828
"515444"	138.980224	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M-3H"	-3.021828
"892153"	45.655224	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-3H"	-3.021828
"11819"	138.980224	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M-2H"	-2.014552
"453201"	208.973974	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M-2H"	-2.014552
"824805"	68.986474	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-2H"	-2.014552
"84796"	278.967724	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M-H"	-1.007276
"520709"	418.955224	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M-H"	-1.007276
"902158"	138.980224	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-H"	-1.007276
"48029"	295.994271	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M-2H+NH4"	16.019271
"488196"	435.981771	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M-2H+NH4"	16.019271
"864666"	156.006771	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-2H+NH4"	16.019271
"32324"	300.949666	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M-2H+Na"	20.974666
"479911"	440.937166	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M-2H+Na"	20.974666
"854796"	160.962166	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-2H+Na"	20.974666
"1631256"	160.962166	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Na-2H"	20.974666
"107057"	156.968563	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M-H+Cl"	33.962126
"549172"	226.962313	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M-H+Cl"	33.962126
"942732"	86.974813	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-H+Cl"	33.962126
"281850"	314.944402	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+Cl"	34.969402
"674959"	454.931902	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+Cl"	34.969402
"1287524"	174.956902	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Cl"	34.969402
"30689"	316.923606	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M-2H+K"	36.948606
"470735"	456.911106	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M-2H+K"	36.948606
"847809"	176.936106	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-2H+K"	36.948606
"1571237"	176.936106	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+K-2H"	36.948606
"958405"	184.985694	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-H+HCOOH"	44.998194
"376547"	324.973201	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+HCOOH-H"	44.998201
"355446"	338.988851	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+Hac-H"	59.013851
"1506832"	199.001351	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Hac-H"	59.013851
"971823"	206.967651	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-H+NaCOOH"	66.980151
"118182"	174.956902	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+2Cl"	69.938804
"555555"	244.950652	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+2Cl"	69.938804
"1025451"	104.963152	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2Cl"	69.938804
"1252686"	218.906385	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Br"	78.918885
"1314040"	220.962372	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Cl+HCOOH"	80.974872
"1330445"	242.944329	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Cl+NaCOOH"	102.956829
"925513"	252.973086	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M-H+CF3COOH"	112.985586
"1298212"	288.949764	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Cl+CF3COOH"	148.962264
"1376375"	104.974824	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H-2H2O"	-35.012676
"1393871"	122.9848	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H-H2O"	-17.0027
"295746"	280.982276	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+H"	1.007276
"683792"	420.969776	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+H"	1.007276
"1363421"	140.994776	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H"	1.007276
"135218"	140.994776	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+2H"	2.014552
"573687"	210.988526	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+2H"	2.014552
"1044672"	71.001026	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2H"	2.014552
"213665"	94.332276	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+3H"	3.021828
"652132"	140.994776	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+3H"	3.021828
"1171351"	47.669776	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+3H"	3.021828
"430253"	298.008823	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+NH4"	18.033823
"787723"	437.996323	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+NH4"	18.033823
"1681417"	158.021323	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+NH4"	18.033823
"334763"	149.5080495	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+H+NH4"	19.041099
"723045"	219.5017995	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+H+NH4"	19.041099
"1479910"	79.5142995	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H+NH4"	19.041099
"399686"	302.964218	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+Na"	22.989218
"766154"	442.951718	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+Na"	22.989218
"1612066"	162.976718	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Na"	22.989218
"322102"	151.985747	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+H+Na"	23.996494
"715619"	221.979497	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+H+Na"	23.996494
"1472723"	81.991997	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H+Na"	23.996494
"1062688"	54.99709	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2H+Na"	25.00377
"1270568"	173.020986	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+CH3OH+H"	33.033486
"390967"	318.938158	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+K"	38.963158
"751958"	458.925658	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+K"	38.963158
"1545990"	178.950658	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+K"	38.963158
"306443"	159.972717	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+H+K"	39.970434
"698865"	229.966467	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+H+K"	39.970434
"1455968"	89.978967	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H+K"	39.970434
"246391"	322.008826	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+ACN+H"	42.033826
"1220556"	182.021326	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+ACN+H"	42.033826
"1202251"	91.514301	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+ACN+2H"	43.041102
"197312"	324.94616	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+2Na-H"	44.97116
"633600"	464.93366	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+2Na-H"	44.97116
"1144032"	184.95866	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2Na-H"	44.97116
"185135"	162.976718	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+2Na"	45.978436
"625060"	232.970468	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+2Na"	45.978436
"1128930"	92.982968	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2Na"	45.978436
"1406985"	62.324404	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H+2Na"	46.985712
"1443841"	187.000246	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H+HCOOH"	47.012746
"234874"	168.00974	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+3H2O+2H"	56.04448
"1520501"	201.05229	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+IsoProp+H"	61.06479
"421647"	170.963688	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+Na+K"	61.952376
"776444"	240.957438	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+Na+K"	61.952376
"1668398"	100.969938	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Na+K"	61.952376
"253826"	343.990768	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+ACN+Na"	64.015768
"1227627"	204.003268	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+ACN+Na"	64.015768
"1715416"	204.026793	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+NH4+HCOOH"	64.039293
"1186248"	69.651718	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+3Na"	68.967654
"1659424"	208.982188	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Na+HCOOH"	68.994688
"167378"	356.89404	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+2K-H"	76.91904
"607674"	496.88154	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+2K-H"	76.91904
"1092551"	216.90654	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2K-H"	76.91904
"151190"	178.950658	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"2M+2K"	77.926316
"591846"	248.944408	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"3M+2K"	77.926316
"1073441"	108.956908	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2K"	77.926316
"1100572"	218.921092	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2K+H"	78.933592
"1337934"	219.008707	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+DMSO+H"	79.021207
"1006092"	223.047876	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2ACN+H"	83.060376
"1525803"	224.041508	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+IsoProp+Na+H"	84.054008
"990296"	112.027576	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+2ACN+2H"	84.067652
"1587232"	224.956128	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+K+HCOOH"	84.968628
"1414593"	254.987638	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+H+CF3COOH"	115.000138
"1148774"	132.540851	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+3ACN+2H"	125.094202
"1699422"	272.014185	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+NH4+CF3COOH"	132.026685
"1638357"	276.96958	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+Na+CF3COOH"	136.98208
"1572182"	292.94352	"C00227"	"Acetyl phosphate"	"C2H5O5P"	"139.9875"	"M+K+CF3COOH"	152.95602
"809841"	154.0266	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M"	0
"989750"	135.00821	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-H2O-H"	-19.01839
"76965"	101.677124	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M-3H"	-3.021828
"516283"	153.019324	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M-3H"	-3.021828
"893600"	50.334924	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-3H"	-3.021828
"14116"	153.019324	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M-2H"	-2.014552
"449300"	230.032624	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M-2H"	-2.014552
"827101"	76.006024	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-2H"	-2.014552
"79800"	307.045924	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M-H"	-1.007276
"519360"	461.072524	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M-H"	-1.007276
"897530"	153.019324	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-H"	-1.007276
"47187"	324.072471	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M-2H+NH4"	16.019271
"490017"	478.099071	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M-2H+NH4"	16.019271
"866725"	170.045871	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-2H+NH4"	16.019271
"38637"	329.027866	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M-2H+Na"	20.974666
"481114"	483.054466	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M-2H+Na"	20.974666
"852718"	175.001266	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-2H+Na"	20.974666
"1628451"	175.001266	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Na-2H"	20.974666
"105708"	171.007663	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M-H+Cl"	33.962126
"547091"	248.020963	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M-H+Cl"	33.962126
"939146"	93.994363	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-H+Cl"	33.962126
"279162"	343.022602	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+Cl"	34.969402
"669400"	497.049202	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+Cl"	34.969402
"1277428"	188.996002	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Cl"	34.969402
"23264"	345.001806	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M-2H+K"	36.948606
"462827"	499.028406	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M-2H+K"	36.948606
"840628"	190.975206	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-2H+K"	36.948606
"1565208"	190.975206	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+K-2H"	36.948606
"953820"	199.024794	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-H+HCOOH"	44.998194
"371308"	353.051401	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+HCOOH-H"	44.998201
"358474"	367.067051	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+Hac-H"	59.013851
"1505121"	213.040451	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Hac-H"	59.013851
"970476"	221.006751	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-H+NaCOOH"	66.980151
"115013"	188.996002	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+2Cl"	69.938804
"552389"	266.009302	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+2Cl"	69.938804
"1026655"	111.982702	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2Cl"	69.938804
"1252796"	232.945485	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Br"	78.918885
"1314151"	235.001472	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Cl+HCOOH"	80.974872
"1327274"	256.983429	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Cl+NaCOOH"	102.956829
"922706"	267.012186	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M-H+CF3COOH"	112.985586
"1302696"	302.988864	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Cl+CF3COOH"	148.962264
"1371015"	119.013924	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H-2H2O"	-35.012676
"1396165"	137.0239	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H-H2O"	-17.0027
"294759"	309.060476	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+H"	1.007276
"686087"	463.087076	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+H"	1.007276
"1362436"	155.033876	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H"	1.007276
"136421"	155.033876	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+2H"	2.014552
"574888"	232.047176	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+2H"	2.014552
"1048061"	78.020576	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2H"	2.014552
"213774"	103.691676	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+3H"	3.021828
"651150"	155.033876	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+3H"	3.021828
"1170370"	52.349476	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+3H"	3.021828
"425012"	326.087023	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+NH4"	18.033823
"787712"	480.113623	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+NH4"	18.033823
"1683313"	172.060423	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+NH4"	18.033823
"332686"	163.5471495	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+H+NH4"	19.041099
"723283"	240.5604495	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+H+NH4"	19.041099
"1480020"	86.5338495	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H+NH4"	19.041099
"406005"	331.042418	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+Na"	22.989218
"766998"	485.069018	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+Na"	22.989218
"1614366"	177.015818	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Na"	22.989218
"323309"	166.024847	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+H+Na"	23.996494
"721202"	243.038147	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+H+Na"	23.996494
"1475754"	89.011547	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H+Na"	23.996494
"1067176"	59.67679	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2H+Na"	25.00377
"1272014"	187.060086	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+CH3OH+H"	33.033486
"391926"	347.016358	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+K"	38.963158
"751337"	501.042958	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+K"	38.963158
"1547194"	192.989758	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+K"	38.963158
"305463"	174.011817	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+H+K"	39.970434
"697884"	251.025117	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+H+K"	39.970434
"1452798"	96.998517	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H+K"	39.970434
"245772"	350.087026	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+ACN+H"	42.033826
"1217385"	196.060426	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+ACN+H"	42.033826
"1207105"	98.533851	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+ACN+2H"	43.041102
"199252"	353.02436	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+2Na-H"	44.97116
"640271"	507.05096	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+2Na-H"	44.97116
"1139402"	198.99776	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2Na-H"	44.97116
"184513"	177.015818	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+2Na"	45.978436
"625898"	254.029118	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+2Na"	45.978436
"1125759"	100.002518	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2Na"	45.978436
"1410012"	67.004104	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H+2Na"	46.985712
"1443951"	201.039346	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H+HCOOH"	47.012746
"234010"	182.04884	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+3H2O+2H"	56.04448
"1522800"	215.09139	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+IsoProp+H"	61.06479
"422486"	185.002788	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+Na+K"	61.952376
"775460"	262.016088	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+Na+K"	61.952376
"1672886"	107.989488	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Na+K"	61.952376
"255395"	372.068968	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+ACN+Na"	64.015768
"1228103"	218.042368	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+ACN+Na"	64.015768
"1721004"	218.065893	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+NH4+HCOOH"	64.039293
"1183076"	74.331418	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+3Na"	68.967654
"1652971"	223.021288	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Na+HCOOH"	68.994688
"167497"	384.97224	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+2K-H"	76.91904
"608514"	538.99884	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+2K-H"	76.91904
"1098496"	230.94564	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2K-H"	76.91904
"153854"	192.989758	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"2M+2K"	77.926316
"591226"	270.003058	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"3M+2K"	77.926316
"1071366"	115.976458	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2K"	77.926316
"1101047"	232.960192	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2K+H"	78.933592
"1337677"	233.047807	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+DMSO+H"	79.021207
"1006446"	237.086976	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2ACN+H"	83.060376
"1525417"	238.080608	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+IsoProp+Na+H"	84.054008
"996250"	119.047126	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+2ACN+2H"	84.067652
"1587467"	238.995228	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+K+HCOOH"	84.968628
"1414701"	269.026738	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+H+CF3COOH"	115.000138
"1148890"	139.560401	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+3ACN+2H"	125.094202
"1698076"	286.053285	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+NH4+CF3COOH"	132.026685
"1636281"	291.00868	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+Na+CF3COOH"	136.98208
"1571927"	306.98262	"C00230"	"34-Dihydroxybenzoate;34-Dihydroxybenzoic acid;Protocatechuate;Protocatechuic acid"	"C7H6O4"	"154.0266"	"M+K+CF3COOH"	152.95602
"809951"	230.0192	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"989195"	211.00081	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"77562"	152.338857333333	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"515665"	229.011924	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"893833"	75.6657906666667	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"12770"	229.011924	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"452690"	344.021524	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"829398"	114.002324	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"78857"	459.031124	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"519471"	689.050324	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"895664"	229.011924	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"47171"	476.057671	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"489763"	706.076871	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"867564"	246.038471	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"37654"	481.013066	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"482682"	711.032266	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"852828"	250.993866	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1628925"	250.993866	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"106182"	247.000263	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"541732"	362.009863	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"934152"	131.990663	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"278907"	495.007802	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"668417"	725.027002	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1278632"	264.988602	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"25560"	496.987006	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"462936"	727.006206	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"835999"	266.967806	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1563131"	266.967806	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"951014"	275.017394	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"365951"	505.036601	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"356394"	519.052251	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1503771"	289.033051	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"970586"	296.999351	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"115123"	264.988602	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"552499"	379.998202	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1025672"	149.979002	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1252906"	308.938085	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1314261"	310.994072	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1330664"	332.976029	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"922816"	343.004786	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1300985"	378.981464	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1371125"	195.006524	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1396275"	213.0165	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"295963"	461.045676	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"686197"	691.064876	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1360360"	231.026476	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"135438"	231.026476	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"574998"	346.036076	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1047078"	116.016876	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"212791"	154.353409333333	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"651260"	231.026476	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1170480"	77.6803426666667	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"424513"	478.072223	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"786365"	708.091423	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1683059"	248.053023	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"332067"	239.5397495	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"723151"	354.5493495	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1479036"	124.5301495	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"406480"	483.027618	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"767474"	713.046818	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1614476"	253.008418	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"324512"	242.017447	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"719491"	357.027047	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1473313"	127.007847	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1065830"	85.0076566666667	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1270424"	263.052686	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"391550"	499.001558	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"751083"	729.020758	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1547304"	268.982358	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"306666"	250.004417	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"699087"	365.014017	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1451815"	134.994817	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"244789"	502.072226	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1218588"	272.053026	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1207216"	136.530151	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"200455"	505.00956	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"640380"	735.02876	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1139512"	274.99036	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"184259"	253.008418	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"625643"	368.018018	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1128056"	137.998818	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1410486"	92.3349706666667	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1445115"	277.031946	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"233391"	258.04144	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1522910"	291.08399	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"421503"	260.995388	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"775570"	376.004988	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1669716"	145.985788	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"255141"	524.054168	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1227849"	294.034968	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1717833"	294.058493	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1178494"	99.6622846666667	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1650040"	299.013888	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"167607"	536.95744	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"608624"	766.97664	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1098606"	306.93824	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"152507"	268.982358	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"590972"	383.991958	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1070383"	153.972758	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1100671"	308.952792	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1337908"	309.040407	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1006680"	313.079576	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1524555"	314.073208	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"994173"	157.043426	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1587089"	314.987828	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1414254"	345.019338	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1148271"	177.556701	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1698916"	362.045885	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1638578"	367.00128	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1572401"	382.97522	"C00231"	"D-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"810061"	102.0317	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M"	0
"986874"	83.01331	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-H2O-H"	-19.01839
"78243"	67.0138573333333	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M-3H"	-3.021828
"518127"	101.024424	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M-3H"	-3.021828
"894426"	33.0032906666667	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-3H"	-3.021828
"15348"	101.024424	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M-2H"	-2.014552
"452800"	152.040274	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M-2H"	-2.014552
"829508"	50.008574	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-2H"	-2.014552
"80141"	203.056124	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M-H"	-1.007276
"520066"	305.087824	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M-H"	-1.007276
"896657"	101.024424	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-H"	-1.007276
"52497"	220.082671	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M-2H+NH4"	16.019271
"499716"	322.114371	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M-2H+NH4"	16.019271
"872047"	118.050971	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-2H+NH4"	16.019271
"42866"	225.038066	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M-2H+Na"	20.974666
"483885"	327.069766	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M-2H+Na"	20.974666
"861689"	123.006366	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-2H+Na"	20.974666
"1632925"	123.006366	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Na-2H"	20.974666
"108848"	119.012763	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M-H+Cl"	33.962126
"549502"	170.028613	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M-H+Cl"	33.962126
"940339"	67.996913	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-H+Cl"	33.962126
"282429"	239.032802	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+Cl"	34.969402
"671807"	341.064502	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+Cl"	34.969402
"1280930"	137.001102	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Cl"	34.969402
"26764"	241.012006	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M-2H+K"	36.948606
"464139"	343.043706	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M-2H+K"	36.948606
"843034"	138.980306	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-2H+K"	36.948606
"1566521"	138.980306	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+K-2H"	36.948606
"954404"	147.029894	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-H+HCOOH"	44.998194
"368248"	249.061601	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+HCOOH-H"	44.998201
"359422"	263.077251	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+Hac-H"	59.013851
"1503152"	161.045551	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Hac-H"	59.013851
"966324"	169.011851	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-H+NaCOOH"	66.980151
"113045"	137.001102	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+2Cl"	69.938804
"552609"	188.016952	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+2Cl"	69.938804
"1024689"	85.985252	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2Cl"	69.938804
"1248641"	180.950585	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Br"	78.918885
"1309996"	183.006572	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Cl+HCOOH"	80.974872
"1326399"	204.988529	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Cl+NaCOOH"	102.956829
"920739"	215.017286	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M-H+CF3COOH"	112.985586
"1298542"	250.993964	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Cl+CF3COOH"	148.962264
"1381076"	67.019024	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H-2H2O"	-35.012676
"1390918"	85.029	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H-H2O"	-17.0027
"297532"	205.070676	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+H"	1.007276
"689588"	307.102376	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+H"	1.007276
"1365937"	103.038976	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H"	1.007276
"138828"	103.038976	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+2H"	2.014552
"574016"	154.054826	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+2H"	2.014552
"1050469"	52.023126	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2H"	2.014552
"212902"	69.0284093333333	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+3H"	3.021828
"655744"	103.038976	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+3H"	3.021828
"1171683"	35.0178426666667	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+3H"	3.021828
"426202"	222.097223	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+NH4"	18.033823
"786590"	324.128923	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+NH4"	18.033823
"1684628"	120.065523	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+NH4"	18.033823
"331812"	111.5522495	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+H+NH4"	19.041099
"728973"	162.5680995	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+H+NH4"	19.041099
"1480969"	60.5363995	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H+NH4"	19.041099
"407684"	227.052618	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+Na"	22.989218
"768316"	329.084318	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+Na"	22.989218
"1616408"	125.020918	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Na"	22.989218
"325715"	114.029947	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+H+Na"	23.996494
"715949"	165.045797	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+H+Na"	23.996494
"1471956"	63.014097	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H+Na"	23.996494
"1064108"	42.3451566666667	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2H+Na"	25.00377
"1269803"	135.065186	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+CH3OH+H"	33.033486
"390565"	243.026558	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+K"	38.963158
"750463"	345.058258	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+K"	38.963158
"1553249"	140.994858	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+K"	38.963158
"308963"	122.016917	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+H+K"	39.970434
"702475"	173.032767	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+H+K"	39.970434
"1456661"	71.001067	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H+K"	39.970434
"247449"	246.097226	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+ACN+H"	42.033826
"1216511"	144.065526	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+ACN+H"	42.033826
"1207325"	72.536401	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+ACN+2H"	43.041102
"200202"	249.03456	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+2Na-H"	44.97116
"642316"	351.06626	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+2Na-H"	44.97116
"1146434"	147.00286	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2Na-H"	44.97116
"186923"	125.020918	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+2Na"	45.978436
"627702"	176.036768	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+2Na"	45.978436
"1128896"	74.005068	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2Na"	45.978436
"1413029"	49.6724706666667	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H+2Na"	46.985712
"1443810"	149.044446	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H+HCOOH"	47.012746
"234838"	130.05394	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+3H2O+2H"	56.04448
"1519373"	163.09649	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+IsoProp+H"	61.06479
"423311"	133.007888	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+Na+K"	61.952376
"775680"	184.023738	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+Na+K"	61.952376
"1670919"	81.992038	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Na+K"	61.952376
"254886"	268.079168	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+ACN+Na"	64.015768
"1227958"	166.047468	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+ACN+Na"	64.015768
"1721224"	166.070993	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+NH4+HCOOH"	64.039293
"1181838"	56.9997846666667	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+3Na"	68.967654
"1650676"	171.026388	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Na+HCOOH"	68.994688
"171001"	280.98244	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+2K-H"	76.91904
"608374"	383.01414	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+2K-H"	76.91904
"1095804"	178.95074	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2K-H"	76.91904
"153712"	140.994858	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"2M+2K"	77.926316
"593636"	192.010708	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"3M+2K"	77.926316
"1074138"	89.979008	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2K"	77.926316
"1105888"	180.965292	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2K+H"	78.933592
"1337900"	181.052907	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+DMSO+H"	79.021207
"1008614"	185.092076	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2ACN+H"	83.060376
"1525647"	186.085708	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+IsoProp+Na+H"	84.054008
"991003"	93.049676	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+2ACN+2H"	84.067652
"1589877"	187.000328	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+K+HCOOH"	84.968628
"1416629"	217.031838	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+H+CF3COOH"	115.000138
"1151298"	113.562951	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+3ACN+2H"	125.094202
"1704131"	234.058385	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+NH4+CF3COOH"	132.026685
"1635408"	239.01378	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+Na+CF3COOH"	136.98208
"1572150"	254.98772	"C00232"	"Succinate semialdehyde;Succinic semialdehyde;4-Oxobutanoate"	"C4H6O3"	"102.0317"	"M+K+CF3COOH"	152.95602
"810171"	130.063	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M"	0
"980423"	111.04461	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"75229"	85.7013906666667	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"514789"	129.055724	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"891498"	42.3470573333333	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"15174"	129.055724	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"449630"	194.087224	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"824150"	64.024224	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"79522"	259.118724	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"519080"	389.181724	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"898228"	129.055724	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"49327"	276.145271	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"499460"	406.208271	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"872157"	146.082271	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"44433"	281.100666	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"483995"	411.163666	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"863380"	151.037666	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1632427"	151.037666	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"108958"	147.044063	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"549005"	212.075563	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"939841"	82.012563	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"281932"	295.095402	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"670824"	425.158402	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1281040"	165.032402	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"26874"	297.074606	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"464249"	427.137606	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"843144"	167.011606	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1567725"	167.011606	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"955244"	175.061194	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"370545"	305.124201	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"359532"	319.139851	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1502533"	189.076851	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"966434"	197.043151	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"113155"	165.032402	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"552719"	230.063902	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1024799"	100.000902	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1242551"	208.981885	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1309013"	211.037872	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1325416"	233.019829	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"920849"	243.048586	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1295371"	279.025264	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1374626"	95.050324	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1387748"	113.0603	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"297886"	261.133276	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"689698"	391.196276	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1366047"	131.070276	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H"	1.007276
"137845"	131.070276	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"574126"	196.101776	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1049486"	66.038776	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"214105"	87.7159426666667	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"653668"	131.070276	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1169608"	44.3616093333333	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"424975"	278.159823	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"786212"	408.222823	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1682302"	148.096823	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"330702"	139.5835495	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"723238"	204.6150495	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1478281"	74.5520495	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"407311"	283.115218	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"767698"	413.178218	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1613602"	153.052218	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"322545"	142.061247	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"716059"	207.092747	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1469880"	77.029747	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1063125"	51.6889233333333	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1266990"	163.096486	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"389213"	299.089158	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"750937"	429.152158	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1553359"	169.026158	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+K"	38.963158
"306886"	150.048217	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"701492"	215.079717	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1455312"	85.016717	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"245006"	302.159826	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1217717"	172.096826	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1201602"	86.552051	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"200676"	305.09716	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"642062"	435.16016	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1146540"	175.03416	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"187397"	153.052218	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"627692"	218.083718	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1131158"	88.020718	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1413260"	59.0162373333333	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1445014"	177.075746	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"234707"	158.08524	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1523860"	191.12779	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"420264"	161.039188	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"773968"	226.070688	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1668477"	96.007688	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"256455"	324.141768	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1230257"	194.078768	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1721334"	194.102293	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1181948"	66.3435513333333	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1650500"	199.057688	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"171476"	337.04504	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"610670"	467.10804	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1097370"	206.98204	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"150541"	169.026158	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"595568"	234.057658	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1073883"	103.994658	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1102718"	208.996592	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1338010"	209.084207	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1007631"	213.123376	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1525757"	214.117008	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"992206"	107.065326	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1588894"	215.031628	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1416739"	245.063138	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1150315"	127.578601	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1704241"	262.089685	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1635518"	267.04508	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1572260"	283.01902	"C00233"	"4-Methyl-2-oxopentanoate;2-Oxoisocaproate"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"812468"	473.1659	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M"	0
"987093"	454.14751	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-H2O-H"	-19.01839
"78135"	314.436657333333	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M-3H"	-3.021828
"517086"	472.158624	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M-3H"	-3.021828
"895295"	156.714690666667	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-3H"	-3.021828
"14555"	472.158624	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M-2H"	-2.014552
"449740"	708.741574	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M-2H"	-2.014552
"824260"	235.575674	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-2H"	-2.014552
"78784"	945.324524	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M-H"	-1.007276
"518701"	1418.490424	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M-H"	-1.007276
"900525"	472.158624	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-H"	-1.007276
"49072"	962.351071	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M-2H+NH4"	16.019271
"491186"	1435.516971	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M-2H+NH4"	16.019271
"871174"	489.185171	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-2H+NH4"	16.019271
"40169"	967.306466	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M-2H+Na"	20.974666
"484105"	1440.472366	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M-2H+Na"	20.974666
"862881"	494.140566	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-2H+Na"	20.974666
"1632173"	494.140566	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Na-2H"	20.974666
"109679"	490.146963	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M-H+Cl"	33.962126
"549565"	726.729913	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M-H+Cl"	33.962126
"939951"	253.564013	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-H+Cl"	33.962126
"282365"	981.301202	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+Cl"	34.969402
"672393"	1454.467102	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+Cl"	34.969402
"1286254"	508.135302	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Cl"	34.969402
"26984"	983.280406	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M-2H+K"	36.948606
"467277"	1456.446306	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M-2H+K"	36.948606
"847631"	510.114506	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-2H+K"	36.948606
"1568929"	510.114506	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+K-2H"	36.948606
"957179"	518.164094	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-H+HCOOH"	44.998194
"372844"	991.330001	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+HCOOH-H"	44.998201
"359643"	1005.345651	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+Hac-H"	59.013851
"1505560"	532.179751	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Hac-H"	59.013851
"969825"	540.146051	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-H+NaCOOH"	66.980151
"115452"	508.135302	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+2Cl"	69.938804
"556109"	744.718252	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+2Cl"	69.938804
"1028189"	271.552352	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2Cl"	69.938804
"1243393"	552.084785	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Br"	78.918885
"1312403"	554.140772	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Cl+HCOOH"	80.974872
"1328806"	576.122729	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Cl+NaCOOH"	102.956829
"920959"	586.151486	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M-H+CF3COOH"	112.985586
"1292928"	622.128164	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Cl+CF3COOH"	148.962264
"1372548"	438.153224	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H-2H2O"	-35.012676
"1384577"	456.1632	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H-H2O"	-17.0027
"288639"	947.339076	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+H"	1.007276
"687621"	1420.504976	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+H"	1.007276
"1363969"	474.173176	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H"	1.007276
"137953"	474.173176	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+2H"	2.014552
"574233"	710.756126	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+2H"	2.014552
"1048501"	237.590226	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2H"	2.014552
"215310"	316.451209333333	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+3H"	3.021828
"647213"	474.173176	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+3H"	3.021828
"1168256"	158.729242666667	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+3H"	3.021828
"426061"	964.365623	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+NH4"	18.033823
"786446"	1437.531523	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+NH4"	18.033823
"1682415"	491.199723	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+NH4"	18.033823
"332029"	482.6864495	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+H+NH4"	19.041099
"724085"	719.2693995	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+H+NH4"	19.041099
"1477144"	246.1034995	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H+NH4"	19.041099
"402430"	969.321018	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+Na"	22.989218
"768529"	1442.486918	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+Na"	22.989218
"1612617"	496.155118	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Na"	22.989218
"318277"	485.164147	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+H+Na"	23.996494
"708632"	721.747097	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+H+Na"	23.996494
"1466706"	248.581197	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H+Na"	23.996494
"1055577"	166.056556666667	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2H+Na"	25.00377
"1260535"	506.199386	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+CH3OH+H"	33.033486
"386769"	985.294958	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+K"	38.963158
"742298"	1458.460858	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+K"	38.963158
"1552007"	512.129058	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+K"	38.963158
"311368"	493.151117	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+H+K"	39.970434
"700508"	729.734067	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+H+K"	39.970434
"1455422"	256.568167	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H+K"	39.970434
"244022"	988.365626	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+ACN+H"	42.033826
"1221107"	515.199726	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+ACN+H"	42.033826
"1203899"	258.103501	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+ACN+2H"	43.041102
"202240"	991.30296	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+2Na-H"	44.97116
"642533"	1464.46886	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+2Na-H"	44.97116
"1143123"	518.13706	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2Na-H"	44.97116
"186412"	496.155118	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+2Na"	45.978436
"627068"	732.738068	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+2Na"	45.978436
"1129479"	259.572168	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2Na"	45.978436
"1413696"	173.383870666667	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H+2Na"	46.985712
"1444753"	520.178646	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H+HCOOH"	47.012746
"234448"	501.18814	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+3H2O+2H"	56.04448
"1518501"	534.23069	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+IsoProp+H"	61.06479
"418187"	504.142088	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+Na+K"	61.952376
"781367"	740.725038	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+Na+K"	61.952376
"1672230"	267.559138	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Na+K"	61.952376
"259843"	1010.347568	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+ACN+Na"	64.015768
"1228178"	537.181668	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+ACN+Na"	64.015768
"1725453"	537.205193	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+NH4+HCOOH"	64.039293
"1180965"	180.711184666667	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+3Na"	68.967654
"1653045"	542.160588	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Na+HCOOH"	68.994688
"172158"	1023.25084	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+2K-H"	76.91904
"611875"	1496.41674	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+2K-H"	76.91904
"1098942"	550.08494	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2K-H"	76.91904
"155025"	512.129058	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"2M+2K"	77.926316
"590940"	748.712008	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"3M+2K"	77.926316
"1073993"	275.546108	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2K"	77.926316
"1102829"	552.099492	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2K+H"	78.933592
"1339213"	552.187107	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+DMSO+H"	79.021207
"1009928"	556.226276	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2ACN+H"	83.060376
"1531335"	557.219908	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+IsoProp+Na+H"	84.054008
"994504"	278.616776	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+2ACN+2H"	84.067652
"1591192"	558.134528	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+K+HCOOH"	84.968628
"1417944"	588.166038	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+H+CF3COOH"	115.000138
"1153705"	299.130051	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+3ACN+2H"	125.094202
"1706538"	605.192585	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+NH4+CF3COOH"	132.026685
"1638908"	610.14798	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+Na+CF3COOH"	136.98208
"1573463"	626.12192	"C00234"	"10-Formyltetrahydrofolate;10-Formyl-THF"	"C20H23N7O7"	"473.1659"	"M+K+CF3COOH"	152.95602
"810391"	246.0058	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M"	0
"980643"	226.98741	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H2O-H"	-19.01839
"74354"	162.996590666667	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-3H"	-3.021828
"511729"	244.998524	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-3H"	-3.021828
"893903"	80.9946573333333	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-3H"	-3.021828
"12477"	244.998524	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H"	-2.014552
"450945"	368.001424	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H"	-2.014552
"824372"	121.995624	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H"	-2.014552
"78847"	491.004324	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-H"	-1.007276
"518642"	737.010124	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-H"	-1.007276
"899542"	244.998524	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H"	-1.007276
"49182"	508.030871	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H+NH4"	16.019271
"488377"	754.036671	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H+NH4"	16.019271
"866178"	262.025071	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H+NH4"	16.019271
"32132"	512.986266	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H+Na"	20.974666
"477652"	758.992066	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H+Na"	20.974666
"862991"	266.980466	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H+Na"	20.974666
"1633378"	266.980466	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na-2H"	20.974666
"109628"	262.986863	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-H+Cl"	33.962126
"549708"	385.989763	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-H+Cl"	33.962126
"937874"	139.983963	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+Cl"	33.962126
"282601"	526.981002	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Cl"	34.969402
"672867"	772.986802	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+Cl"	34.969402
"1287093"	280.975202	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl"	34.969402
"27095"	528.960206	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M-2H+K"	36.948606
"465562"	774.966006	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M-2H+K"	36.948606
"844823"	282.954406	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-2H+K"	36.948606
"1567945"	282.954406	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K-2H"	36.948606
"957532"	291.003994	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+HCOOH"	44.998194
"375141"	537.009801	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+HCOOH-H"	44.998201
"359753"	551.025451	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Hac-H"	59.013851
"1507859"	305.019651	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Hac-H"	59.013851
"963373"	312.985951	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+NaCOOH"	66.980151
"112281"	280.975202	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2Cl"	69.938804
"556219"	403.978102	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2Cl"	69.938804
"1025019"	157.972302	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2Cl"	69.938804
"1252251"	324.924685	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Br"	78.918885
"1312514"	326.980672	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl+HCOOH"	80.974872
"1325636"	348.962629	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl+NaCOOH"	102.956829
"921069"	358.991386	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M-H+CF3COOH"	112.985586
"1293038"	394.968064	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Cl+CF3COOH"	148.962264
"1371565"	210.993124	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H-2H2O"	-35.012676
"1387967"	229.0031	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H-H2O"	-17.0027
"289842"	493.018876	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H"	1.007276
"688824"	739.024676	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H"	1.007276
"1364079"	247.013076	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H"	1.007276
"138064"	247.013076	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2H"	2.014552
"576530"	370.015976	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2H"	2.014552
"1047518"	124.010176	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2H"	2.014552
"216513"	165.011142666667	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+3H"	3.021828
"646959"	247.013076	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+3H"	3.021828
"1168001"	83.0092093333333	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+3H"	3.021828
"426171"	510.045423	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+NH4"	18.033823
"787530"	756.051223	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+NH4"	18.033823
"1683133"	264.039623	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+NH4"	18.033823
"331045"	255.5263495	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H+NH4"	19.041099
"724562"	378.5292495	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H+NH4"	19.041099
"1477152"	132.5234495	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+NH4"	19.041099
"401447"	515.000818	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Na"	22.989218
"766816"	761.006618	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+Na"	22.989218
"1611634"	268.995018	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na"	22.989218
"316200"	258.004047	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H+Na"	23.996494
"707891"	381.006947	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H+Na"	23.996494
"1465723"	135.001147	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+Na"	23.996494
"1055687"	90.3365233333333	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2H+Na"	25.00377
"1261740"	279.039286	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+CH3OH+H"	33.033486
"384693"	530.974758	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+K"	38.963158
"750063"	776.980558	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+K"	38.963158
"1555035"	284.968958	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K"	38.963158
"311846"	265.991017	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+H+K"	39.970434
"703900"	388.993917	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+H+K"	39.970434
"1455532"	142.988117	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+K"	39.970434
"245227"	534.045426	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+ACN+H"	42.033826
"1220123"	288.039626	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+ACN+H"	42.033826
"1204009"	144.523451	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+ACN+2H"	43.041102
"202230"	536.98276	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2Na-H"	44.97116
"640458"	782.98856	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2Na-H"	44.97116
"1146393"	290.97696	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2Na-H"	44.97116
"187863"	268.995018	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2Na"	45.978436
"624992"	391.997918	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2Na"	45.978436
"1129834"	145.992118	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2Na"	45.978436
"1412628"	97.6638373333333	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+2Na"	46.985712
"1444135"	293.018546	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+HCOOH"	47.012746
"234437"	274.02804	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+3H2O+2H"	56.04448
"1516424"	307.07059	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+IsoProp+H"	61.06479
"416110"	276.981988	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+Na+K"	61.952376
"779291"	399.984888	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+Na+K"	61.952376
"1674526"	153.979088	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na+K"	61.952376
"259952"	556.027368	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+ACN+Na"	64.015768
"1230478"	310.021568	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+ACN+Na"	64.015768
"1720460"	310.045093	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+NH4+HCOOH"	64.039293
"1178844"	104.991151333333	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+3Na"	68.967654
"1653155"	315.000488	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na+HCOOH"	68.994688
"169870"	568.93064	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2K-H"	76.91904
"611865"	814.93644	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2K-H"	76.91904
"1096497"	322.92484	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2K-H"	76.91904
"152583"	284.968958	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"2M+2K"	77.926316
"591777"	407.971858	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"3M+2K"	77.926316
"1081392"	161.966058	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2K"	77.926316
"1113871"	324.939392	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2K+H"	78.933592
"1341507"	325.027007	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+DMSO+H"	79.021207
"1008948"	329.066176	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2ACN+H"	83.060376
"1530353"	330.059808	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+IsoProp+Na+H"	84.054008
"992429"	165.036726	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+2ACN+2H"	84.067652
"1591304"	330.974428	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K+HCOOH"	84.968628
"1418055"	361.005938	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+H+CF3COOH"	115.000138
"1153815"	185.550001	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+3ACN+2H"	125.094202
"1706648"	378.032485	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+NH4+CF3COOH"	132.026685
"1639018"	382.98788	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+Na+CF3COOH"	136.98208
"1572844"	398.96182	"C00235"	"Dimethylallyl diphosphate;2-Isopentenyl diphosphate;delta2-Isopentenyl diphosphate;Dimethylallyl pyrophosphate;DMAPP;Monoprenyl diphosphate;Prenyl diphosphate"	"C5H12O7P2"	"246.0058"	"M+K+CF3COOH"	152.95602
"810501"	265.9593	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M"	0
"980753"	246.94091	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-H2O-H"	-19.01839
"74464"	176.298924	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M-3H"	-3.021828
"511839"	264.952024	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M-3H"	-3.021828
"891463"	87.645824	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-3H"	-3.021828
"12587"	264.952024	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M-2H"	-2.014552
"452148"	397.931674	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M-2H"	-2.014552
"824482"	131.972374	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-2H"	-2.014552
"78795"	530.911324	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M-H"	-1.007276
"519160"	796.870624	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M-H"	-1.007276
"895836"	264.952024	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-H"	-1.007276
"48198"	547.937871	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M-2H+NH4"	16.019271
"487200"	813.897171	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M-2H+NH4"	16.019271
"864585"	281.978571	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-2H+NH4"	16.019271
"31757"	552.893266	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M-2H+Na"	20.974666
"476669"	818.852566	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M-2H+Na"	20.974666
"862737"	286.933966	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-2H+Na"	20.974666
"1632031"	286.933966	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Na-2H"	20.974666
"108925"	282.940363	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M-H+Cl"	33.962126
"547509"	415.920013	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M-H+Cl"	33.962126
"937984"	149.960713	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-H+Cl"	33.962126
"282748"	566.888002	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+Cl"	34.969402
"671155"	832.847302	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+Cl"	34.969402
"1285381"	300.928702	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Cl"	34.969402
"23925"	568.867206	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M-2H+K"	36.948606
"465672"	834.826506	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M-2H+K"	36.948606
"844568"	302.907906	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-2H+K"	36.948606
"1566962"	302.907906	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+K-2H"	36.948606
"957278"	310.957494	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-H+HCOOH"	44.998194
"373792"	576.916801	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+HCOOH-H"	44.998201
"356947"	590.932451	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+Hac-H"	59.013851
"1506147"	324.973151	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Hac-H"	59.013851
"966763"	332.939451	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-H+NaCOOH"	66.980151
"112390"	300.928702	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+2Cl"	69.938804
"552316"	433.908352	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+2Cl"	69.938804
"1028410"	167.949052	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2Cl"	69.938804
"1252362"	344.878185	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Br"	78.918885
"1315904"	346.934172	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Cl+HCOOH"	80.974872
"1325746"	368.916129	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Cl+NaCOOH"	102.956829
"921179"	378.944886	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M-H+CF3COOH"	112.985586
"1292784"	414.921564	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Cl+CF3COOH"	148.962264
"1369488"	230.946624	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H-2H2O"	-35.012676
"1388077"	248.9566	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H-H2O"	-17.0027
"286672"	532.925876	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+H"	1.007276
"685654"	798.885176	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+H"	1.007276
"1360909"	266.966576	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H"	1.007276
"139265"	266.966576	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+2H"	2.014552
"574453"	399.946226	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+2H"	2.014552
"1047628"	133.986926	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2H"	2.014552
"214435"	178.313476	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+3H"	3.021828
"647798"	266.966576	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+3H"	3.021828
"1168111"	89.660376	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+3H"	3.021828
"425671"	549.952423	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+NH4"	18.033823
"786912"	815.911723	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+NH4"	18.033823
"1682876"	283.993123	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+NH4"	18.033823
"331153"	275.4798495	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+H+NH4"	19.041099
"723492"	408.4594995	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+H+NH4"	19.041099
"1477310"	142.5001995	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H+NH4"	19.041099
"401557"	554.907818	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+Na"	22.989218
"761457"	820.867118	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+Na"	22.989218
"1609556"	288.948518	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Na"	22.989218
"316310"	277.957547	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+H+Na"	23.996494
"709091"	410.937197	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+H+Na"	23.996494
"1463643"	144.977897	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H+Na"	23.996494
"1053967"	96.98769	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2H+Na"	25.00377
"1257839"	298.992786	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+CH3OH+H"	33.033486
"386989"	570.881758	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+K"	38.963158
"741423"	836.841058	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+K"	38.963158
"1553321"	304.922458	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+K"	38.963158
"312320"	285.944517	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+H+K"	39.970434
"702916"	418.924167	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+H+K"	39.970434
"1455641"	152.964867	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H+K"	39.970434
"245336"	573.952426	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+ACN+H"	42.033826
"1216221"	307.993126	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+ACN+H"	42.033826
"1201930"	154.500201	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+ACN+2H"	43.041102
"202098"	576.88976	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+2Na-H"	44.97116
"642025"	842.84906	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+2Na-H"	44.97116
"1145777"	310.93046	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2Na-H"	44.97116
"187730"	288.948518	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+2Na"	45.978436
"626559"	421.928168	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+2Na"	45.978436
"1129338"	155.968868	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2Na"	45.978436
"1411035"	104.315004	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H+2Na"	46.985712
"1444369"	312.972046	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H+HCOOH"	47.012746
"234790"	293.98154	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+3H2O+2H"	56.04448
"1514711"	327.02409	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+IsoProp+H"	61.06479
"416220"	296.935488	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+Na+K"	61.952376
"780494"	429.915138	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+Na+K"	61.952376
"1675729"	163.955838	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Na+K"	61.952376
"258969"	595.934368	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+ACN+Na"	64.015768
"1231681"	329.975068	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+ACN+Na"	64.015768
"1716925"	329.998593	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+NH4+HCOOH"	64.039293
"1179358"	111.642318	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+3Na"	68.967654
"1650712"	334.953988	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Na+HCOOH"	68.994688
"171073"	608.83764	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+2K-H"	76.91904
"612097"	874.79694	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+2K-H"	76.91904
"1098429"	342.87834	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2K-H"	76.91904
"152693"	304.922458	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"2M+2K"	77.926316
"591887"	437.902108	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"3M+2K"	77.926316
"1081502"	171.942808	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2K"	77.926316
"1113617"	344.892892	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2K+H"	78.933592
"1341617"	344.980507	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+DMSO+H"	79.021207
"1010152"	349.019676	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2ACN+H"	83.060376
"1530463"	350.013308	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+IsoProp+Na+H"	84.054008
"994725"	175.013476	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+2ACN+2H"	84.067652
"1592507"	350.927928	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+K+HCOOH"	84.968628
"1418165"	380.959438	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+H+CF3COOH"	115.000138
"1155018"	195.526751	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+3ACN+2H"	125.094202
"1706758"	397.985985	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+NH4+CF3COOH"	132.026685
"1639128"	402.94138	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+Na+CF3COOH"	136.98208
"1574047"	418.91532	"C00236"	"3-Phospho-D-glyceroyl phosphate;13-Bisphospho-D-glycerate;(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid;D-Glycerate 13-diphosphate"	"C3H8O10P2"	"265.9593"	"M+K+CF3COOH"	152.95602
"810611"	27.9949	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M"	0
"979770"	8.97651	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-H2O-H"	-19.01839
"74574"	17.6559906666667	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M-3H"	-3.021828
"516322"	26.987624	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M-3H"	-3.021828
"893030"	8.32435733333333	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-3H"	-3.021828
"14884"	26.987624	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M-2H"	-2.014552
"448979"	40.985074	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M-2H"	-2.014552
"824592"	12.990174	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-2H"	-2.014552
"79231"	54.982524	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M-H"	-1.007276
"519763"	82.977424	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M-H"	-1.007276
"896107"	26.987624	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-H"	-1.007276
"50859"	72.009071	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M-2H+NH4"	16.019271
"487746"	100.003971	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M-2H+NH4"	16.019271
"869315"	44.014171	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-2H+NH4"	16.019271
"32107"	76.964466	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M-2H+Na"	20.974666
"476779"	104.959366	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M-2H+Na"	20.974666
"863335"	48.969566	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-2H+Na"	20.974666
"1632748"	48.969566	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Na-2H"	20.974666
"108790"	44.975963	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M-H+Cl"	33.962126
"547861"	58.973413	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M-H+Cl"	33.962126
"938094"	30.978513	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-H+Cl"	33.962126
"281882"	90.959202	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+Cl"	34.969402
"671265"	118.954102	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+Cl"	34.969402
"1287437"	62.964302	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Cl"	34.969402
"26222"	92.938406	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M-2H+K"	36.948606
"466876"	120.933306	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M-2H+K"	36.948606
"845771"	64.943506	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-2H+K"	36.948606
"1568894"	64.943506	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+K-2H"	36.948606
"957023"	72.993094	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-H+HCOOH"	44.998194
"373537"	100.988001	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+HCOOH-H"	44.998201
"358514"	115.003651	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+Hac-H"	59.013851
"1505528"	87.008751	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Hac-H"	59.013851
"963592"	94.975051	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-H+NaCOOH"	66.980151
"114687"	62.964302	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+2Cl"	69.938804
"555339"	76.961752	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+2Cl"	69.938804
"1028514"	48.966852	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2Cl"	69.938804
"1243719"	106.913785	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Br"	78.918885
"1309452"	108.969772	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Cl+HCOOH"	80.974872
"1323668"	130.951729	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Cl+NaCOOH"	102.956829
"915820"	140.980486	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M-H+CF3COOH"	112.985586
"1295810"	176.957164	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Cl+CF3COOH"	148.962264
"1378347"	-7.017776	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H-2H2O"	-35.012676
"1393653"	10.9922	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H-H2O"	-17.0027
"286782"	56.997076	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+H"	1.007276
"682484"	84.991976	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+H"	1.007276
"1361019"	29.002176	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H"	1.007276
"139376"	29.002176	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+2H"	2.014552
"579788"	42.999626	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+2H"	2.014552
"1047738"	15.004726	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2H"	2.014552
"217826"	19.6705426666667	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+3H"	3.021828
"653011"	29.002176	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+3H"	3.021828
"1169315"	10.3389093333333	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+3H"	3.021828
"425781"	74.023623	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+NH4"	18.033823
"789937"	102.018523	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+NH4"	18.033823
"1682623"	46.028723	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+NH4"	18.033823
"331992"	37.5154495	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+H+NH4"	19.041099
"723561"	51.5128995	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+H+NH4"	19.041099
"1478963"	23.5179995	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H+NH4"	19.041099
"402760"	78.979018	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+Na"	22.989218
"761567"	106.973918	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+Na"	22.989218
"1609666"	50.984118	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Na"	22.989218
"316419"	39.993147	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+H+Na"	23.996494
"709936"	53.990597	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+H+Na"	23.996494
"1464850"	25.995697	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H+Na"	23.996494
"1056270"	17.6662233333333	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2H+Na"	25.00377
"1259406"	61.028386	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+CH3OH+H"	33.033486
"388921"	94.952958	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+K"	38.963158
"742626"	122.947858	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+K"	38.963158
"1546866"	66.958058	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+K"	38.963158
"302946"	47.980117	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+H+K"	39.970434
"697555"	61.977567	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+H+K"	39.970434
"1451376"	33.982667	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H+K"	39.970434
"244352"	98.023626	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+ACN+H"	42.033826
"1217062"	70.028726	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+ACN+H"	42.033826
"1202040"	35.518001	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+ACN+2H"	43.041102
"203058"	100.96096	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+2Na-H"	44.97116
"639948"	128.95586	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+2Na-H"	44.97116
"1144427"	72.96606	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2Na-H"	44.97116
"182369"	50.984118	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+2Na"	45.978436
"621931"	64.981568	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+2Na"	45.978436
"1125436"	36.986668	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2Na"	45.978436
"1412973"	24.9935373333333	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H+2Na"	46.985712
"1443873"	75.007646	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H+HCOOH"	47.012746
"232957"	56.01714	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+3H2O+2H"	56.04448
"1515551"	89.05969	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+IsoProp+H"	61.06479
"418517"	58.971088	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+Na+K"	61.952376
"779510"	72.968538	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+Na+K"	61.952376
"1674746"	44.973638	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Na+K"	61.952376
"253611"	120.005568	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+ACN+Na"	64.015768
"1232884"	92.010668	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+ACN+Na"	64.015768
"1723960"	92.034193	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+NH4+HCOOH"	64.039293
"1179593"	32.3208513333333	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+3Na"	68.967654
"1650822"	96.989588	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Na+HCOOH"	68.994688
"171062"	132.90884	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+2K-H"	76.91904
"606733"	160.90374	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+2K-H"	76.91904
"1098173"	104.91394	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2K-H"	76.91904
"154623"	66.958058	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"2M+2K"	77.926316
"593819"	80.955508	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"3M+2K"	77.926316
"1079789"	52.960608	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2K"	77.926316
"1113850"	106.928492	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2K+H"	78.933592
"1345007"	107.016107	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+DMSO+H"	79.021207
"1008068"	111.055276	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2ACN+H"	83.060376
"1528381"	112.048908	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+IsoProp+Na+H"	84.054008
"994835"	56.031276	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+2ACN+2H"	84.067652
"1591524"	112.963528	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+K+HCOOH"	84.968628
"1418275"	142.995038	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+H+CF3COOH"	115.000138
"1154035"	76.544551	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+3ACN+2H"	125.094202
"1707961"	160.021585	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+NH4+CF3COOH"	132.026685
"1639238"	164.97698	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+Na+CF3COOH"	136.98208
"1573793"	180.95092	"C00237"	"CO;Carbon monoxide"	"CO"	"27.9949"	"M+K+CF3COOH"	152.95602
"810721"	38.9637	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M"	0
"979880"	19.94531	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-H2O-H"	-19.01839
"74684"	24.968524	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M-3H"	-3.021828
"514975"	37.956424	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M-3H"	-3.021828
"892412"	11.980624	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-3H"	-3.021828
"9528"	37.956424	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M-2H"	-2.014552
"449818"	57.438274	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M-2H"	-2.014552
"827618"	18.474574	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-2H"	-2.014552
"80318"	76.920124	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M-H"	-1.007276
"519022"	115.883824	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M-H"	-1.007276
"896217"	37.956424	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-H"	-1.007276
"49388"	93.946671	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M-2H+NH4"	16.019271
"487855"	132.910371	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M-2H+NH4"	16.019271
"867359"	54.982971	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-2H+NH4"	16.019271
"32461"	98.902066	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M-2H+Na"	20.974666
"473851"	137.865766	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M-2H+Na"	20.974666
"861254"	59.938366	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-2H+Na"	20.974666
"1633546"	59.938366	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Na-2H"	20.974666
"109835"	55.944763	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M-H+Cl"	33.962126
"547971"	75.426613	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M-H+Cl"	33.962126
"937111"	36.462913	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-H+Cl"	33.962126
"281867"	112.896802	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+Cl"	34.969402
"671374"	151.860502	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+Cl"	34.969402
"1283776"	73.933102	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Cl"	34.969402
"27424"	114.876006	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M-2H+K"	36.948606
"465892"	153.839706	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M-2H+K"	36.948606
"843692"	75.912306	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-2H+K"	36.948606
"1568637"	75.912306	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+K-2H"	36.948606
"952876"	83.961894	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-H+HCOOH"	44.998194
"372185"	122.925601	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+HCOOH-H"	44.998201
"358257"	136.941251	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+Hac-H"	59.013851
"1504539"	97.977551	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Hac-H"	59.013851
"962607"	105.943851	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-H+NaCOOH"	66.980151
"110253"	73.933102	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+2Cl"	69.938804
"550100"	93.414952	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+2Cl"	69.938804
"1026436"	54.451252	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2Cl"	69.938804
"1243827"	117.882585	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Br"	78.918885
"1310655"	119.938572	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Cl+HCOOH"	80.974872
"1325964"	141.920529	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Cl+NaCOOH"	102.956829
"915929"	151.949286	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M-H+CF3COOH"	112.985586
"1292637"	187.925964	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Cl+CF3COOH"	148.962264
"1371893"	3.951024	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H-2H2O"	-35.012676
"1390483"	21.961	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H-H2O"	-17.0027
"287985"	78.934676	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+H"	1.007276
"677490"	117.898376	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+H"	1.007276
"1355662"	39.970976	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H"	1.007276
"135112"	39.970976	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+2H"	2.014552
"570296"	59.452826	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+2H"	2.014552
"1046750"	20.489126	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2H"	2.014552
"216838"	26.983076	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+3H"	3.021828
"653119"	39.970976	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+3H"	3.021828
"1170519"	13.995176	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+3H"	3.021828
"425406"	95.961223	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+NH4"	18.033823
"787496"	134.924923	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+NH4"	18.033823
"1684556"	56.997523	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+NH4"	18.033823
"332103"	48.4842495	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+H+NH4"	19.041099
"722940"	67.9660995	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+H+NH4"	19.041099
"1477981"	29.0023995	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H+NH4"	19.041099
"400684"	100.916618	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+Na"	22.989218
"761677"	139.880318	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+Na"	22.989218
"1609776"	61.952918	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Na"	22.989218
"321999"	50.961947	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+H+Na"	23.996494
"716608"	70.443797	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+H+Na"	23.996494
"1466054"	31.480097	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H+Na"	23.996494
"1054558"	21.32249	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2H+Na"	25.00377
"1259516"	71.997186	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+CH3OH+H"	33.033486
"388667"	116.890558	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+K"	38.963158
"743829"	155.854258	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+K"	38.963158
"1548069"	77.926858	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+K"	38.963158
"306337"	58.948917	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+H+K"	39.970434
"696572"	78.430767	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+H+K"	39.970434
"1451486"	39.467067	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H+K"	39.970434
"244462"	119.961226	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+ACN+H"	42.033826
"1218265"	80.997526	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+ACN+H"	42.033826
"1203243"	41.002401	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+ACN+2H"	43.041102
"203052"	122.89856	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+2Na-H"	44.97116
"642123"	161.86226	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+2Na-H"	44.97116
"1146241"	83.93486	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2Na-H"	44.97116
"185759"	61.952918	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+2Na"	45.978436
"623863"	81.434768	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+2Na"	45.978436
"1126639"	42.471068	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2Na"	45.978436
"1411257"	28.649804	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H+2Na"	46.985712
"1443007"	85.976446	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H+HCOOH"	47.012746
"230879"	66.98594	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+3H2O+2H"	56.04448
"1513838"	100.02849	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+IsoProp+H"	61.06479
"418627"	69.939888	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+Na+K"	61.952376
"776340"	89.421738	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+Na+K"	61.952376
"1675949"	50.458038	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Na+K"	61.952376
"255908"	141.943168	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+ACN+Na"	64.015768
"1229708"	102.979468	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+ACN+Na"	64.015768
"1713377"	103.002993	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+NH4+HCOOH"	64.039293
"1179459"	35.977118	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+3Na"	68.967654
"1652025"	107.958388	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Na+HCOOH"	68.994688
"168742"	154.84644	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+2K-H"	76.91904
"608300"	193.81014	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+2K-H"	76.91904
"1097553"	115.88274	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2K-H"	76.91904
"154369"	77.926858	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"2M+2K"	77.926316
"595023"	97.408708	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"3M+2K"	77.926316
"1079899"	58.445008	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2K"	77.926316
"1108734"	117.897292	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2K+H"	78.933592
"1338557"	117.984907	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+DMSO+H"	79.021207
"1005652"	122.024076	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2ACN+H"	83.060376
"1527398"	123.017708	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+IsoProp+Na+H"	84.054008
"993852"	61.515676	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+2ACN+2H"	84.067652
"1589447"	123.932328	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+K+HCOOH"	84.968628
"1416198"	153.963838	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+H+CF3COOH"	115.000138
"1155238"	82.028951	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+3ACN+2H"	125.094202
"1706978"	170.990385	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+NH4+CF3COOH"	132.026685
"1639348"	175.94578	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+Na+CF3COOH"	136.98208
"1572081"	191.91972	"C00238"	"Potassium cation;K;Potassium(1);Potassium ion"	"K"	"38.9637"	"M+K+CF3COOH"	152.95602
"809738"	307.0569	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M"	0
"979990"	288.03851	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-H2O-H"	-19.01839
"74794"	203.697324	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M-3H"	-3.021828
"516542"	306.049624	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M-3H"	-3.021828
"892886"	101.345024	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-3H"	-3.021828
"7452"	306.049624	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M-2H"	-2.014552
"449199"	459.578074	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M-2H"	-2.014552
"826999"	152.521174	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-2H"	-2.014552
"80428"	613.106524	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M-H"	-1.007276
"519621"	920.163424	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M-H"	-1.007276
"898156"	306.049624	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-H"	-1.007276
"50349"	630.133071	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M-2H+NH4"	16.019271
"489546"	937.189971	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M-2H+NH4"	16.019271
"868441"	323.076171	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-2H+NH4"	16.019271
"32696"	635.088466	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M-2H+Na"	20.974666
"473960"	942.145366	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M-2H+Na"	20.974666
"860271"	328.031566	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-2H+Na"	20.974666
"1633899"	328.031566	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Na-2H"	20.974666
"109976"	324.037963	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M-H+Cl"	33.962126
"547960"	477.566413	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M-H+Cl"	33.962126
"938314"	170.509513	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-H+Cl"	33.962126
"282709"	649.083202	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+Cl"	34.969402
"671484"	956.140102	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+Cl"	34.969402
"1283886"	342.026302	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Cl"	34.969402
"26441"	651.062406	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M-2H+K"	36.948606
"468188"	958.119306	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M-2H+K"	36.948606
"846717"	344.005506	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-2H+K"	36.948606
"1570204"	344.005506	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+K-2H"	36.948606
"955903"	352.055094	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-H+HCOOH"	44.998194
"375211"	659.112001	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+HCOOH-H"	44.998201
"358366"	673.127651	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+Hac-H"	59.013851
"1502825"	366.070751	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Hac-H"	59.013851
"963810"	374.037051	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-H+NaCOOH"	66.980151
"114905"	342.026302	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+2Cl"	69.938804
"550693"	495.554752	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+2Cl"	69.938804
"1025452"	188.497852	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2Cl"	69.938804
"1242597"	385.975785	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Br"	78.918885
"1310765"	388.031772	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Cl+HCOOH"	80.974872
"1326074"	410.013729	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Cl+NaCOOH"	102.956829
"916039"	420.042486	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M-H+CF3COOH"	112.985586
"1290195"	456.019164	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Cl+CF3COOH"	148.962264
"1372003"	272.044224	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H-2H2O"	-35.012676
"1390593"	290.0542	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H-H2O"	-17.0027
"288095"	615.121076	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+H"	1.007276
"676383"	922.177976	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+H"	1.007276
"1355772"	308.064176	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H"	1.007276
"135222"	308.064176	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+2H"	2.014552
"569677"	461.592626	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+2H"	2.014552
"1043580"	154.535726	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2H"	2.014552
"214761"	205.711876	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+3H"	3.021828
"649949"	308.064176	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+3H"	3.021828
"1170629"	103.359576	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+3H"	3.021828
"426247"	632.147623	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+NH4"	18.033823
"790886"	939.204523	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+NH4"	18.033823
"1683210"	325.090723	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+NH4"	18.033823
"334037"	316.5774495	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+H+NH4"	19.041099
"725727"	470.1058995	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+H+NH4"	19.041099
"1479550"	163.0489995	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H+NH4"	19.041099
"398607"	637.103018	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+Na"	22.989218
"763976"	944.159918	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+Na"	22.989218
"1609888"	330.046118	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Na"	22.989218
"324296"	319.055147	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+H+Na"	23.996494
"710156"	472.583597	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+H+Na"	23.996494
"1466164"	165.526697	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H+Na"	23.996494
"1054668"	110.68689	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2H+Na"	25.00377
"1257923"	340.090386	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+CH3OH+H"	33.033486
"389141"	653.076958	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+K"	38.963158
"742846"	960.133858	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+K"	38.963158
"1547086"	346.020058	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+K"	38.963158
"307540"	327.042117	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+H+K"	39.970434
"696682"	480.570567	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+H+K"	39.970434
"1451596"	173.513667	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H+K"	39.970434
"243479"	656.147626	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+ACN+H"	42.033826
"1217282"	349.090726	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+ACN+H"	42.033826
"1203353"	175.049001	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+ACN+2H"	43.041102
"203648"	659.08496	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+2Na-H"	44.97116
"642962"	966.14186	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+2Na-H"	44.97116
"1145751"	352.02806	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2Na-H"	44.97116
"183682"	330.046118	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+2Na"	45.978436
"623244"	483.574568	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+2Na"	45.978436
"1125656"	176.517668	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2Na"	45.978436
"1411366"	118.014204	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H+2Na"	46.985712
"1443480"	354.069646	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H+HCOOH"	47.012746
"229531"	335.07914	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+3H2O+2H"	56.04448
"1514677"	368.12169	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+IsoProp+H"	61.06479
"416550"	338.033088	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+Na+K"	61.952376
"779729"	491.561538	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+Na+K"	61.952376
"1672779"	184.504638	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Na+K"	61.952376
"253831"	678.129568	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+ACN+Na"	64.015768
"1230912"	371.072668	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+ACN+Na"	64.015768
"1715432"	371.096193	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+NH4+HCOOH"	64.039293
"1180056"	125.341518	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+3Na"	68.967654
"1651890"	376.051588	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Na+HCOOH"	68.994688
"169945"	691.03284	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+2K-H"	76.91904
"609138"	998.08974	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+2K-H"	76.91904
"1096934"	383.97594	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2K-H"	76.91904
"153750"	346.020058	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"2M+2K"	77.926316
"595132"	499.548508	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"3M+2K"	77.926316
"1079642"	192.491608	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2K"	77.926316
"1108844"	385.990492	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2K+H"	78.933592
"1338667"	386.078107	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+DMSO+H"	79.021207
"1007437"	390.117276	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2ACN+H"	83.060376
"1524954"	391.110908	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+IsoProp+Na+H"	84.054008
"997242"	195.562276	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+2ACN+2H"	84.067652
"1589557"	392.025528	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+K+HCOOH"	84.968628
"1416308"	422.057038	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+H+CF3COOH"	115.000138
"1155348"	216.075551	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+3ACN+2H"	125.094202
"1707088"	439.083585	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+NH4+CF3COOH"	132.026685
"1639458"	444.03898	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+Na+CF3COOH"	136.98208
"1572920"	460.01292	"C00239"	"dCMP;Deoxycytidylic acid;Deoxycytidine monophosphate;Deoxycytidylate;2-Deoxycytidine 5-monophosphate"	"C9H14N3O7P"	"307.0569"	"M+K+CF3COOH"	152.95602
"807663"	151.0494	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M"	0
"977913"	132.03101	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-H2O-H"	-19.01839
"69435"	99.692324	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M-3H"	-3.021828
"511183"	150.042124	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M-3H"	-3.021828
"891172"	49.342524	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-3H"	-3.021828
"10839"	150.042124	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M-2H"	-2.014552
"447121"	225.566824	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M-2H"	-2.014552
"820912"	74.517424	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-2H"	-2.014552
"87105"	301.091524	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M-H"	-1.007276
"527765"	452.140924	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M-H"	-1.007276
"903378"	150.042124	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-H"	-1.007276
"56660"	318.118071	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M-2H+NH4"	16.019271
"496223"	469.167471	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M-2H+NH4"	16.019271
"879496"	167.068671	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-2H+NH4"	16.019271
"46803"	323.073466	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M-2H+Na"	20.974666
"485389"	474.122866	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M-2H+Na"	20.974666
"863797"	172.024066	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-2H+Na"	20.974666
"1633813"	172.024066	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Na-2H"	20.974666
"109656"	168.030463	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M-H+Cl"	33.962126
"549373"	243.555163	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M-H+Cl"	33.962126
"939521"	92.505763	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-H+Cl"	33.962126
"282339"	337.068202	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+Cl"	34.969402
"675324"	488.117602	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+Cl"	34.969402
"1285093"	186.018802	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Cl"	34.969402
"23273"	339.047406	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M-2H+K"	36.948606
"463924"	490.096806	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M-2H+K"	36.948606
"840634"	187.998006	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-2H+K"	36.948606
"1564122"	187.998006	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+K-2H"	36.948606
"954194"	196.047594	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-H+HCOOH"	44.998194
"370222"	347.097001	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+HCOOH-H"	44.998201
"347913"	361.112651	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+Hac-H"	59.013851
"1498570"	210.063251	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Hac-H"	59.013851
"960280"	218.029551	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-H+NaCOOH"	66.980151
"110399"	186.018802	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+2Cl"	69.938804
"552028"	261.543502	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+2Cl"	69.938804
"1028850"	110.494102	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2Cl"	69.938804
"1252802"	229.968285	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Br"	78.918885
"1313063"	232.024272	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Cl+HCOOH"	80.974872
"1323632"	254.006229	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Cl+NaCOOH"	102.956829
"916513"	264.034986	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M-H+CF3COOH"	112.985586
"1293222"	300.011664	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Cl+CF3COOH"	148.962264
"1379776"	116.036724	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H-2H2O"	-35.012676
"1397880"	134.0467	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H-H2O"	-17.0027
"290396"	303.106076	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+H"	1.007276
"680630"	454.155476	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+H"	1.007276
"1359165"	152.056676	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H"	1.007276
"134242"	152.056676	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+2H"	2.014552
"570885"	227.581376	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+2H"	2.014552
"1041507"	76.531976	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2H"	2.014552
"206973"	101.706876	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+3H"	3.021828
"649337"	152.056676	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+3H"	3.021828
"1164180"	51.357076	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+3H"	3.021828
"425266"	320.132623	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+NH4"	18.033823
"787716"	471.182023	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+NH4"	18.033823
"1682955"	169.083223	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+NH4"	18.033823
"331594"	160.5699495	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+H+NH4"	19.041099
"736790"	236.0946495	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+H+NH4"	19.041099
"1492069"	85.0452495	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H+NH4"	19.041099
"407831"	325.088018	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+Na"	22.989218
"761900"	476.137418	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+Na"	22.989218
"1616560"	174.038618	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Na"	22.989218
"326234"	163.047647	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+H+Na"	23.996494
"717925"	238.572347	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+H+Na"	23.996494
"1473933"	87.522947	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H+Na"	23.996494
"1064991"	58.68439	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2H+Na"	25.00377
"1268126"	184.082886	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+CH3OH+H"	33.033486
"385242"	341.061958	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+K"	38.963158
"749154"	492.111358	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+K"	38.963158
"1554611"	190.012558	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+K"	38.963158
"308747"	171.034617	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+H+K"	39.970434
"705544"	246.559317	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+H+K"	39.970434
"1458636"	95.509917	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H+K"	39.970434
"251213"	344.132626	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+ACN+H"	42.033826
"1220680"	193.083226	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+ACN+H"	42.033826
"1204563"	97.045251	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+ACN+2H"	43.041102
"204053"	347.06996	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+2Na-H"	44.97116
"643558"	498.11936	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+2Na-H"	44.97116
"1146917"	196.02056	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2Na-H"	44.97116
"188317"	174.038618	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+2Na"	45.978436
"628089"	249.563318	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+2Na"	45.978436
"1130500"	98.513918	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2Na"	45.978436
"1414135"	66.011704	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H+2Na"	46.985712
"1445170"	198.062146	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H+HCOOH"	47.012746
"231828"	179.07164	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+3H2O+2H"	56.04448
"1515880"	212.11419	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+IsoProp+H"	61.06479
"414473"	182.025588	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+Na+K"	61.952376
"774375"	257.550288	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+Na+K"	61.952376
"1671797"	106.500888	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Na+K"	61.952376
"259415"	366.114568	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+ACN+Na"	64.015768
"1234314"	215.065168	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+ACN+Na"	64.015768
"1719919"	215.088693	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+NH4+HCOOH"	64.039293
"1191846"	73.339018	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+3Na"	68.967654
"1664777"	220.044088	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Na+HCOOH"	68.994688
"171890"	379.01784	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+2K-H"	76.91904
"610348"	530.06724	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+2K-H"	76.91904
"1099114"	227.96844	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2K-H"	76.91904
"154956"	190.012558	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"2M+2K"	77.926316
"594395"	265.537258	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"3M+2K"	77.926316
"1076840"	114.487858	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2K"	77.926316
"1108955"	229.982992	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2K+H"	78.933592
"1340969"	230.070607	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+DMSO+H"	79.021207
"1012783"	234.109776	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2ACN+H"	83.060376
"1530908"	235.103408	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+IsoProp+Na+H"	84.054008
"999542"	117.558526	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+2ACN+2H"	84.067652
"1598421"	236.018028	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+K+HCOOH"	84.968628
"1426268"	266.049538	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+H+CF3COOH"	115.000138
"1156557"	138.071801	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+3ACN+2H"	125.094202
"1710481"	283.076085	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+NH4+CF3COOH"	132.026685
"1642851"	288.03148	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+Na+CF3COOH"	136.98208
"1580688"	304.00542	"C00242"	"Guanine;2-Amino-6-hydroxypurine"	"C5H5N5O"	"151.0494"	"M+K+CF3COOH"	152.95602
"807773"	342.1162	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M"	0
"975837"	323.09781	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"68452"	227.070190666667	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"510198"	341.108924	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"888001"	113.031457333333	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"4387"	341.108924	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443950"	512.167024	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"818470"	170.050824	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"83934"	683.225124	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"527875"	1025.341324	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"902395"	341.108924	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"51301"	700.251671	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"495240"	1042.367871	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"875227"	358.135471	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"46919"	705.207066	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"486804"	1047.323266	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"863784"	363.090866	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1633680"	363.090866	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"107286"	359.097263	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"545756"	530.155363	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"937445"	188.039163	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"282204"	719.201802	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"675354"	1061.318002	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1285203"	377.085602	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"22290"	721.181006	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"462941"	1063.297206	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"842931"	379.064806	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1564231"	379.064806	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"954304"	387.114394	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"371425"	729.230601	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"347659"	743.246251	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1498680"	401.130051	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"960026"	409.096351	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"110468"	377.085602	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"551046"	548.143702	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1028960"	206.027502	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1252912"	421.035085	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1313173"	423.091072	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1321921"	445.073029	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"916259"	455.101786	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1290781"	491.078464	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1381346"	307.103524	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1395193"	325.1135	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"290506"	685.239676	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"680740"	1027.355876	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1352714"	343.123476	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"127789"	343.123476	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"569902"	514.181576	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1038334"	172.065376	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"204899"	229.084742666667	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"649084"	343.123476	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1166480"	115.046009333333	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"427930"	702.266223	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"787465"	1044.382423	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1682090"	360.150023	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"331340"	351.6367495	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"738128"	522.6948495	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1491815"	180.5786495	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"406482"	707.221618	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"769304"	1049.337818	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1617767"	365.105418	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"327439"	354.114447	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"718037"	525.172547	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1473315"	183.056347	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1064009"	122.373323333333	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1267509"	375.149686	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"386445"	723.195558	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"746348"	1065.311758	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1553871"	381.079358	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"308493"	362.101417	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"704561"	533.159517	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1457653"	191.043317	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"251121"	726.266226	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1220790"	384.150026	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1202487"	192.578651	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"203742"	729.20356	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"643305"	1071.31976	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1147012"	387.08736	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"188428"	365.105418	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"627712"	536.163518	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1129517"	194.047318	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1413894"	129.700637333333	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1443699"	389.128946	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"232302"	370.13844	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1517084"	403.18099	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"412032"	373.092388	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"773757"	544.150488	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1670814"	202.034288	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"256610"	748.248168	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1234424"	406.131968	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1717113"	406.155493	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1194149"	137.027951333333	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1665490"	411.110888	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"172652"	761.15144	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"612639"	1103.26764	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1099826"	419.03524	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"156038"	381.079358	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"594626"	552.137458	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1076950"	210.021258	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1109065"	421.049792	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1342172"	421.137407	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1015080"	425.176576	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1533204"	426.170208	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"997465"	213.091926	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1601811"	427.084828	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1426378"	457.116338	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1156667"	233.605201	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1710591"	474.142885	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1642961"	479.09828	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1580798"	495.07222	"C00243"	"Lactose;1-beta-D-Galactopyranosyl-4-D-glucopyranose;beta-D-Gal-(1-4)-D-Glc;Milk sugar"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"807883"	62.9956	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M"	0
"978133"	43.97721	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-H2O-H"	-19.01839
"70747"	40.9897906666667	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M-3H"	-3.021828
"510307"	61.988324	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M-3H"	-3.021828
"887017"	19.9912573333333	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-3H"	-3.021828
"4497"	61.988324	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M-2H"	-2.014552
"445153"	93.486124	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M-2H"	-2.014552
"817159"	30.490524	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-2H"	-2.014552
"87324"	124.983924	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M-H"	-1.007276
"523610"	187.979524	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M-H"	-1.007276
"904692"	61.988324	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-H"	-1.007276
"53597"	142.010471	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M-2H+NH4"	16.019271
"491336"	205.006071	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M-2H+NH4"	16.019271
"872056"	79.014871	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-2H+NH4"	16.019271
"46407"	146.965866	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M-2H+Na"	20.974666
"486910"	209.961466	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M-2H+Na"	20.974666
"863938"	83.970266	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-2H+Na"	20.974666
"1633302"	83.970266	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Na-2H"	20.974666
"107396"	79.976663	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M-H+Cl"	33.962126
"546959"	111.474463	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M-H+Cl"	33.962126
"937555"	48.478863	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-H+Cl"	33.962126
"281100"	160.960602	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+Cl"	34.969402
"674613"	223.956202	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+Cl"	34.969402
"1282032"	97.965002	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Cl"	34.969402
"22400"	162.939806	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M-2H+K"	36.948606
"461958"	225.935406	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M-2H+K"	36.948606
"843041"	99.944206	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-2H+K"	36.948606
"1562154"	99.944206	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+K-2H"	36.948606
"955506"	107.993794	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-H+HCOOH"	44.998194
"371534"	170.989401	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+HCOOH-H"	44.998201
"346796"	185.005051	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+Hac-H"	59.013851
"1495509"	122.009451	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Hac-H"	59.013851
"958834"	129.975751	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-H+NaCOOH"	66.980151
"111958"	97.965002	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+2Cl"	69.938804
"550908"	129.462802	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+2Cl"	69.938804
"1029070"	66.467202	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2Cl"	69.938804
"1253022"	141.914485	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Br"	78.918885
"1313283"	143.970472	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Cl+HCOOH"	80.974872
"1323125"	165.952429	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Cl+NaCOOH"	102.956829
"916369"	175.981186	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M-H+CF3COOH"	112.985586
"1293078"	211.957864	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Cl+CF3COOH"	148.962264
"1371243"	27.982924	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H-2H2O"	-35.012676
"1392023"	45.9929	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H-H2O"	-17.0027
"290616"	126.998476	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+H"	1.007276
"681943"	189.994076	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+H"	1.007276
"1353552"	64.002876	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H"	1.007276
"129357"	64.002876	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+2H"	2.014552
"569648"	95.500676	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+2H"	2.014552
"1039173"	32.505076	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2H"	2.014552
"204524"	43.0043426666667	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+3H"	3.021828
"652474"	64.002876	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+3H"	3.021828
"1166226"	22.0058093333333	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+3H"	3.021828
"428040"	144.025023	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+NH4"	18.033823
"787576"	207.020623	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+NH4"	18.033823
"1683540"	81.029423	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+NH4"	18.033823
"331451"	72.5161495	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+H+NH4"	19.041099
"737502"	104.0139495	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+H+NH4"	19.041099
"1490102"	41.0183495	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H+NH4"	19.041099
"405499"	148.980418	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+Na"	22.989218
"768806"	211.976018	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+Na"	22.989218
"1616783"	85.984818	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Na"	22.989218
"326820"	74.993847	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+H+Na"	23.996494
"717783"	106.491647	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+H+Na"	23.996494
"1472331"	43.496047	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H+Na"	23.996494
"1063754"	29.3331233333333	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2H+Na"	25.00377
"1268346"	96.029086	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+CH3OH+H"	33.033486
"385462"	164.954358	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+K"	38.963158
"746458"	227.949958	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+K"	38.963158
"1553739"	101.958758	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+K"	38.963158
"312615"	82.980817	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+H+K"	39.970434
"705402"	114.478617	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+H+K"	39.970434
"1458856"	51.483017	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H+K"	39.970434
"250500"	168.025026	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+ACN+H"	42.033826
"1220536"	105.029426	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+ACN+H"	42.033826
"1205877"	53.018351	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+ACN+2H"	43.041102
"202759"	170.96236	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+2Na-H"	44.97116
"643659"	233.95796	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+2Na-H"	44.97116
"1146802"	107.96676	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2Na-H"	44.97116
"188369"	85.984818	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+2Na"	45.978436
"626611"	117.482618	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+2Na"	45.978436
"1130239"	54.487018	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2Na"	45.978436
"1408414"	36.6604373333333	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H+2Na"	46.985712
"1440530"	110.008346	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H+HCOOH"	47.012746
"222571"	91.01784	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+3H2O+2H"	56.04448
"1512092"	124.06039	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+IsoProp+H"	61.06479
"412872"	93.971788	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+Na+K"	61.952376
"775688"	125.469588	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+Na+K"	61.952376
"1672017"	62.473988	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Na+K"	61.952376
"256353"	190.006968	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+ACN+Na"	64.015768
"1234170"	127.011368	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+ACN+Na"	64.015768
"1717587"	127.034893	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+NH4+HCOOH"	64.039293
"1194123"	43.9877513333333	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+3Na"	68.967654
"1665566"	131.990288	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Na+HCOOH"	68.994688
"172838"	202.91024	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+2K-H"	76.91904
"612638"	265.90584	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+2K-H"	76.91904
"1099857"	139.91464	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2K-H"	76.91904
"156148"	101.958758	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"2M+2K"	77.926316
"594615"	133.456558	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"3M+2K"	77.926316
"1073780"	70.460958	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2K"	77.926316
"1104802"	141.929192	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2K+H"	78.933592
"1342282"	142.016807	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+DMSO+H"	79.021207
"1014097"	146.055976	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2ACN+H"	83.060376
"1531128"	147.049608	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+IsoProp+Na+H"	84.054008
"997575"	73.531626	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+2ACN+2H"	84.067652
"1601921"	147.964228	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+K+HCOOH"	84.968628
"1424301"	177.995738	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+H+CF3COOH"	115.000138
"1156777"	94.044901	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+3ACN+2H"	125.094202
"1710701"	195.022285	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+NH4+CF3COOH"	132.026685
"1646351"	199.97768	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+Na+CF3COOH"	136.98208
"1580908"	215.95162	"C00244"	"Nitrate;Nitric acid"	"HNO3"	"62.9956"	"M+K+CF3COOH"	152.95602
"807993"	125.0147	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M"	0
"976421"	105.99631	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-H2O-H"	-19.01839
"69764"	82.3358573333333	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M-3H"	-3.021828
"509325"	124.007424	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M-3H"	-3.021828
"889316"	40.6642906666667	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-3H"	-3.021828
"10076"	124.007424	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M-2H"	-2.014552
"445263"	186.514774	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M-2H"	-2.014552
"819783"	61.500074	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-2H"	-2.014552
"87434"	249.022124	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M-H"	-1.007276
"527002"	374.036824	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M-H"	-1.007276
"902616"	124.007424	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-H"	-1.007276
"52978"	266.048671	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M-2H+NH4"	16.019271
"492538"	391.063371	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M-2H+NH4"	16.019271
"872166"	141.033971	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-2H+NH4"	16.019271
"43348"	271.004066	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M-2H+Na"	20.974666
"480721"	396.018766	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M-2H+Na"	20.974666
"856338"	145.989366	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-2H+Na"	20.974666
"1625872"	145.989366	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Na-2H"	20.974666
"100212"	141.995763	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M-H+Cl"	33.962126
"541959"	204.503113	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M-H+Cl"	33.962126
"934385"	79.488413	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-H+Cl"	33.962126
"275128"	284.998802	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+Cl"	34.969402
"665362"	410.013502	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+Cl"	34.969402
"1284328"	159.984102	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Cl"	34.969402
"22510"	286.978006	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M-2H+K"	36.948606
"457695"	411.992706	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M-2H+K"	36.948606
"838777"	161.963306	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-2H+K"	36.948606
"1562264"	161.963306	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+K-2H"	36.948606
"947963"	170.012894	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-H+HCOOH"	44.998194
"368364"	295.027601	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+HCOOH-H"	44.998201
"346785"	309.043251	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+Hac-H"	59.013851
"1493309"	184.028551	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Hac-H"	59.013851
"958592"	191.994851	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-H+NaCOOH"	66.980151
"110608"	159.984102	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+2Cl"	69.938804
"551255"	222.491452	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+2Cl"	69.938804
"1029180"	97.476752	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2Cl"	69.938804
"1253132"	203.933585	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Br"	78.918885
"1312300"	205.989572	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Cl+HCOOH"	80.974872
"1325421"	227.971529	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Cl+NaCOOH"	102.956829
"915386"	238.000286	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M-H+CF3COOH"	112.985586
"1290757"	273.976964	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Cl+CF3COOH"	148.962264
"1370260"	90.002024	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H-2H2O"	-35.012676
"1383623"	108.012	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H-H2O"	-17.0027
"289633"	251.036676	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+H"	1.007276
"680231"	376.051376	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+H"	1.007276
"1354392"	126.021976	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H"	1.007276
"127645"	126.021976	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+2H"	2.014552
"568665"	188.529326	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+2H"	2.014552
"1037944"	63.514626	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2H"	2.014552
"206094"	84.3504093333333	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+3H"	3.021828
"645294"	126.021976	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+3H"	3.021828
"1166700"	42.6788426666667	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+3H"	3.021828
"428515"	268.063223	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+NH4"	18.033823
"787319"	393.077923	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+NH4"	18.033823
"1683283"	143.048523	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+NH4"	18.033823
"333024"	134.5352495	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+H+NH4"	19.041099
"738220"	197.0425995	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+H+NH4"	19.041099
"1488025"	72.0278995	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H+NH4"	19.041099
"401235"	273.018618	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+Na"	22.989218
"767335"	398.033318	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+Na"	22.989218
"1615071"	148.003918	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Na"	22.989218
"325108"	137.012947	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+H+Na"	23.996494
"718257"	199.520297	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+H+Na"	23.996494
"1472441"	74.505597	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H+Na"	23.996494
"1064593"	50.0061566666667	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2H+Na"	25.00377
"1268092"	158.048186	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+CH3OH+H"	33.033486
"385572"	288.992558	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+K"	38.963158
"753751"	414.007258	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+K"	38.963158
"1555197"	163.977858	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+K"	38.963158
"313703"	144.999917	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+H+K"	39.970434
"706613"	207.507267	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+H+K"	39.970434
"1460435"	82.492567	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H+K"	39.970434
"250855"	292.063226	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+ACN+H"	42.033826
"1224658"	167.048526	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+ACN+H"	42.033826
"1208422"	84.027901	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+ACN+2H"	43.041102
"203479"	295.00056	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+2Na-H"	44.97116
"643816"	420.01526	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+2Na-H"	44.97116
"1146189"	169.98586	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2Na-H"	44.97116
"186797"	148.003918	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+2Na"	45.978436
"627700"	210.511268	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+2Na"	45.978436
"1127556"	85.496568	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2Na"	45.978436
"1406339"	57.3334706666667	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H+2Na"	46.985712
"1437362"	172.027446	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H+HCOOH"	47.012746
"228150"	153.03694	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+3H2O+2H"	56.04448
"1512930"	186.07949	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+IsoProp+H"	61.06479
"412982"	155.990888	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+Na+K"	61.952376
"775798"	218.498238	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+Na+K"	61.952376
"1668846"	93.483538	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Na+K"	61.952376
"256464"	314.045168	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+ACN+Na"	64.015768
"1233916"	189.030468	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+ACN+Na"	64.015768
"1718061"	189.053993	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+NH4+HCOOH"	64.039293
"1194041"	64.6607846666667	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+3Na"	68.967654
"1665115"	194.009388	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Na+HCOOH"	68.994688
"172669"	326.94844	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+2K-H"	76.91904
"612741"	451.96314	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+2K-H"	76.91904
"1099695"	201.93374	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2K-H"	76.91904
"155895"	163.977858	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"2M+2K"	77.926316
"596429"	226.485208	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"3M+2K"	77.926316
"1077172"	101.470508	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2K"	77.926316
"1106005"	203.948292	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2K+H"	78.933592
"1342392"	204.035907	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+DMSO+H"	79.021207
"1010920"	208.075076	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2ACN+H"	83.060376
"1531238"	209.068708	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+IsoProp+Na+H"	84.054008
"997685"	104.541176	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+2ACN+2H"	84.067652
"1602032"	209.983328	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+K+HCOOH"	84.968628
"1427692"	240.014838	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+H+CF3COOH"	115.000138
"1162319"	125.054451	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+3ACN+2H"	125.094202
"1707531"	257.041385	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+NH4+CF3COOH"	132.026685
"1648648"	261.99678	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+Na+CF3COOH"	136.98208
"1581018"	277.97072	"C00245"	"Taurine;2-Aminoethanesulfonic acid;Aminoethylsulfonic acid"	"C2H7NO3S"	"125.0147"	"M+K+CF3COOH"	152.95602
"804823"	88.0524	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M"	0
"978354"	69.03401	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"69874"	57.694324	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"508342"	87.045124	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"886144"	28.343524	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"6906"	87.045124	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"444280"	131.071324	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"819163"	43.018924	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"87544"	175.097524	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"528205"	263.149924	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"907099"	87.045124	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"50901"	192.124071	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"492284"	280.176471	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"874462"	104.071671	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"37260"	197.079466	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"481924"	285.131866	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"860456"	109.027066	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1628897"	109.027066	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"102508"	105.033463	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"544255"	149.059663	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"934495"	61.007263	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"270864"	211.074202	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"662192"	299.126602	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1282251"	123.021802	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"22620"	213.053406	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"459991"	301.105806	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"839980"	125.001006	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1559094"	125.001006	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"951353"	133.050594	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"371754"	221.103001	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"346645"	235.118651	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1493169"	147.066251	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"958685"	155.032551	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"110839"	123.021802	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"550633"	167.048002	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1029290"	78.995602	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1246680"	166.971285	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1306941"	169.027272	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1323344"	191.009229	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"912212"	201.037986	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1289650"	237.014664	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1371463"	53.039724	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1384706"	71.0497	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"289743"	177.112076	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"681070"	265.164476	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1356688"	89.059676	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"128848"	89.059676	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"569503"	133.085876	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1038660"	45.033476	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"206568"	59.708876	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"648684"	89.059676	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1167539"	30.358076	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"428624"	194.138623	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"789617"	282.191023	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1684124"	106.086223	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"335323"	97.5729495	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"736873"	141.5991495	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1488865"	53.5467495	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"406450"	199.094018	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"766352"	287.146418	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1614087"	111.041618	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"325218"	100.050647	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"718003"	144.076847	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1475101"	56.024447	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1066524"	37.68539	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1268931"	121.085886	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"386775"	215.067958	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"753903"	303.120358	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1554941"	127.015558	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"314019"	108.037617	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"706928"	152.063817	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1460864"	64.011417	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"249868"	218.138626	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1225587"	130.086226	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1208650"	65.546751	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"201156"	221.07596	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"643394"	309.12836	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1146919"	133.02356	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"186785"	111.041618	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"628052"	155.067818	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1127297"	67.015418	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1407542"	45.012704	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1437471"	135.065146	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"228260"	116.07464	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1515227"	149.11719	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"414914"	119.028588	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"775179"	163.054788	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1668225"	75.002388	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"255114"	240.120568	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1235483"	152.068168	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1719265"	152.091693	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1193381"	52.340018	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1665064"	157.047088	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"172330"	253.02384	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"611893"	341.07624	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1099274"	164.97144	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"155033"	127.015558	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"596297"	171.041758	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1078376"	82.989358	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1110488"	166.985992	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1341409"	167.073607	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1009937"	171.112776	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1532441"	172.106408	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"997795"	86.060026	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1599954"	173.021028	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1427802"	203.052538	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1162510"	106.573301	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1707641"	220.079085	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1649650"	225.03448	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1581128"	241.00842	"C00246"	"Butanoic acid;Butanoate;Butyrate;Butyric acid"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"808213"	180.0634	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M"	0
"978464"	161.04501	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"68891"	119.034990666667	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"508452"	179.056124	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"887347"	59.0138573333333	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8109"	179.056124	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444390"	269.087824	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"818910"	89.024424	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"87654"	359.119524	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"522847"	539.182924	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"900647"	179.056124	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"48824"	376.146071	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"490208"	556.209471	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"872385"	196.082671	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"34816"	381.101466	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"480941"	561.164866	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"857650"	201.038066	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1628278"	201.038066	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"102618"	197.044463	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"537437"	287.076163	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"933512"	107.012763	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"268787"	395.096202	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"662302"	575.159602	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1282361"	215.032802	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"26010"	397.075406	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"456943"	577.138806	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"840090"	217.012006	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1559204"	217.012006	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"949276"	225.061594	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"371864"	405.125001	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"349187"	419.140651	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1493286"	239.077251	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"959370"	247.043551	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"110025"	215.032802	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"551112"	305.064502	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1029400"	125.001102	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1244604"	258.982285	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1307051"	261.038272	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1323454"	283.020229	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"916698"	293.048986	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1292314"	329.025664	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1369385"	145.050724	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1382789"	163.0607	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"289853"	361.134076	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"681543"	541.197476	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1356434"	181.070676	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"130417"	181.070676	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"570342"	271.102376	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1038404"	91.038976	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"206305"	121.049542666667	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"648794"	181.070676	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1166556"	61.0284093333333	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"427640"	378.160623	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"789729"	558.224023	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1684598"	198.097223	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"336527"	189.5839495	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"737589"	279.6156495	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1489339"	99.5522495	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"405830"	383.116018	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"766462"	563.179418	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1615654"	203.052618	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"326056"	192.061647	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"720661"	282.093347	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1473387"	102.029947	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1064082"	68.3557233333333	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1269405"	213.096886	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"389074"	399.089958	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"754124"	579.153358	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1555218"	219.026558	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"314086"	200.048617	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"706586"	290.080317	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1459554"	110.016917	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"248518"	402.160626	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1225409"	222.097226	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1206574"	111.552251	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"202359"	405.09796	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"643140"	585.16136	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1146403"	225.03456	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"186530"	203.052618	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"627552"	293.084318	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1128500"	113.020918	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1409838"	75.6830373333333	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1436489"	227.076146	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"228370"	208.08564	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1518618"	241.12819	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"413932"	211.039588	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"775288"	301.071288	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1668701"	121.007888	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"254860"	424.142568	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1232677"	244.079168	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1717189"	244.102693	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1191302"	83.0103513333333	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1665132"	249.058088	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"172523"	437.04584	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"612690"	617.10924	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1099298"	256.98244	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"155385"	219.026558	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"592880"	309.058258	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1077392"	128.994858	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1109141"	258.996992	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1341519"	259.084607	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1009318"	263.123776	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1534738"	264.117408	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"995718"	132.065526	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1596784"	265.032028	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1429620"	295.063538	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1162740"	152.578801	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1708844"	312.090085	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1646681"	317.04548	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1581238"	333.01942	"C00247"	"L-Sorbose;L-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"808323"	205.0595	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M"	0
"976387"	186.04111	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-H2O-H"	-19.01839
"67908"	135.699057333333	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M-3H"	-3.021828
"508561"	204.052224	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M-3H"	-3.021828
"886364"	67.3458906666667	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-3H"	-3.021828
"10405"	204.052224	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M-2H"	-2.014552
"442313"	306.581974	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M-2H"	-2.014552
"817802"	101.522474	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-2H"	-2.014552
"87764"	409.111724	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M-H"	-1.007276
"524050"	614.171224	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M-H"	-1.007276
"900757"	204.052224	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-H"	-1.007276
"52944"	426.138271	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M-2H+NH4"	16.019271
"493598"	631.197771	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M-2H+NH4"	16.019271
"871401"	221.078771	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-2H+NH4"	16.019271
"39299"	431.093666	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M-2H+Na"	20.974666
"475578"	636.153166	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M-2H+Na"	20.974666
"855569"	226.034166	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-2H+Na"	20.974666
"1624371"	226.034166	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Na-2H"	20.974666
"100534"	222.040563	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M-H+Cl"	33.962126
"541190"	324.570313	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M-H+Cl"	33.962126
"934712"	119.510813	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-H+Cl"	33.962126
"274361"	445.088402	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+Cl"	34.969402
"662408"	650.147902	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+Cl"	34.969402
"1279191"	240.028902	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Cl"	34.969402
"22840"	447.067606	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M-2H+K"	36.948606
"457660"	652.127106	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M-2H+K"	36.948606
"839107"	242.008106	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-2H+K"	36.948606
"1559314"	242.008106	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+K-2H"	36.948606
"946104"	250.057694	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-H+HCOOH"	44.998194
"363226"	455.117201	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+HCOOH-H"	44.998201
"348205"	469.132851	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+Hac-H"	59.013851
"1495219"	264.073351	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Hac-H"	59.013851
"960573"	272.039651	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-H+NaCOOH"	66.980151
"110938"	240.028902	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+2Cl"	69.938804
"551710"	342.558652	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+2Cl"	69.938804
"1026230"	137.499152	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2Cl"	69.938804
"1243621"	283.978385	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Br"	78.918885
"1307161"	286.034372	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Cl+HCOOH"	80.974872
"1326844"	308.016329	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Cl+NaCOOH"	102.956829
"916808"	318.045086	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M-H+CF3COOH"	112.985586
"1295703"	354.021764	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Cl+CF3COOH"	148.962264
"1370588"	170.046824	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H-2H2O"	-35.012676
"1383710"	188.0568	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H-H2O"	-17.0027
"289963"	411.126276	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+H"	1.007276
"681289"	616.185776	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+H"	1.007276
"1353264"	206.066776	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H"	1.007276
"130527"	206.066776	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+2H"	2.014552
"570088"	308.596526	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+2H"	2.014552
"1039243"	103.537026	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2H"	2.014552
"205807"	137.713609333333	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+3H"	3.021828
"647811"	206.066776	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+3H"	3.021828
"1166666"	69.3604426666667	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+3H"	3.021828
"425928"	428.152823	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+NH4"	18.033823
"789839"	633.212323	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+NH4"	18.033823
"1683980"	223.093323	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+NH4"	18.033823
"335544"	214.5800495	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+H+NH4"	19.041099
"738266"	317.1097995	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+H+NH4"	19.041099
"1489450"	112.0502995	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H+NH4"	19.041099
"403754"	433.108218	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+Na"	22.989218
"763657"	638.167718	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+Na"	22.989218
"1616129"	228.048718	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Na"	22.989218
"325073"	217.057747	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+H+Na"	23.996494
"718585"	319.587497	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+H+Na"	23.996494
"1473133"	114.527997	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H+Na"	23.996494
"1064192"	76.6877566666667	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2H+Na"	25.00377
"1269151"	238.092986	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+CH3OH+H"	33.033486
"390277"	449.082158	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+K"	38.963158
"754120"	654.141658	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+K"	38.963158
"1555539"	244.022658	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+K"	38.963158
"313664"	225.044717	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+H+K"	39.970434
"706573"	327.574467	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+H+K"	39.970434
"1458205"	122.514967	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H+K"	39.970434
"246441"	452.152826	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+ACN+H"	42.033826
"1224260"	247.093326	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+ACN+H"	42.033826
"1208872"	124.050301	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+ACN+2H"	43.041102
"200647"	455.09016	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+2Na-H"	44.97116
"642763"	660.14966	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+2Na-H"	44.97116
"1145783"	250.03066	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2Na-H"	44.97116
"184453"	228.048718	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+2Na"	45.978436
"625109"	330.578468	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+2Na"	45.978436
"1128977"	125.518968	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2Na"	45.978436
"1408853"	84.0150706666667	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H+2Na"	46.985712
"1435503"	252.072246	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H+HCOOH"	47.012746
"226294"	233.08174	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+3H2O+2H"	56.04448
"1514355"	266.12429	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+IsoProp+H"	61.06479
"412219"	236.035688	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+Na+K"	61.952376
"776125"	338.565438	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+Na+K"	61.952376
"1670997"	133.505938	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Na+K"	61.952376
"255697"	474.134768	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+ACN+Na"	64.015768
"1227313"	269.075268	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+ACN+Na"	64.015768
"1714742"	269.098793	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+NH4+HCOOH"	64.039293
"1190311"	91.3423846666667	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+3Na"	68.967654
"1665290"	274.054188	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Na+HCOOH"	68.994688
"172509"	487.03804	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+2K-H"	76.91904
"612765"	692.09754	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+2K-H"	76.91904
"1099530"	281.97854	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2K-H"	76.91904
"155131"	244.022658	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"2M+2K"	77.926316
"591897"	346.552408	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"3M+2K"	77.926316
"1078595"	141.492908	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2K"	77.926316
"1109615"	283.993092	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2K+H"	78.933592
"1342722"	284.080707	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+DMSO+H"	79.021207
"1009428"	288.119876	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2ACN+H"	83.060376
"1537035"	289.113508	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+IsoProp+Na+H"	84.054008
"999108"	144.563576	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+2ACN+2H"	84.067652
"1595801"	290.028128	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+K+HCOOH"	84.968628
"1429730"	320.059638	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+H+CF3COOH"	115.000138
"1162729"	165.076851	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+3ACN+2H"	125.094202
"1708954"	337.086185	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+NH4+CF3COOH"	132.026685
"1646791"	342.04158	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+Na+CF3COOH"	136.98208
"1581348"	358.01552	"C00248"	"Lipoamide;Thioctic acid amide"	"C8H15NOS2"	"205.0595"	"M+K+CF3COOH"	152.95602
"811713"	256.2402	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M"	0
"981965"	237.22181	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-H2O-H"	-19.01839
"74579"	169.819524	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M-3H"	-3.021828
"508672"	255.232924	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M-3H"	-3.021828
"887567"	84.406124	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-3H"	-3.021828
"10516"	255.232924	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M-2H"	-2.014552
"444610"	383.353024	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M-2H"	-2.014552
"818765"	127.112824	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-2H"	-2.014552
"86781"	511.473124	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M-H"	-1.007276
"529620"	767.713324	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M-H"	-1.007276
"904147"	255.232924	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-H"	-1.007276
"54148"	528.499671	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M-2H+NH4"	16.019271
"492249"	784.739871	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M-2H+NH4"	16.019271
"871511"	272.259471	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-2H+NH4"	16.019271
"41599"	533.455066	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M-2H+Na"	20.974666
"478240"	789.695266	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M-2H+Na"	20.974666
"857867"	277.214866	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-2H+Na"	20.974666
"1626305"	277.214866	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Na-2H"	20.974666
"102835"	273.221263	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M-H+Cl"	33.962126
"540211"	401.341363	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M-H+Cl"	33.962126
"930448"	145.101163	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-H+Cl"	33.962126
"272286"	547.449802	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+Cl"	34.969402
"666892"	803.690002	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+Cl"	34.969402
"1276019"	291.209602	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Cl"	34.969402
"16630"	549.429006	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M-2H+K"	36.948606
"457043"	805.669206	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M-2H+K"	36.948606
"834845"	293.188806	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-2H+K"	36.948606
"1555899"	293.188806	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+K-2H"	36.948606
"951683"	301.238394	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-H+HCOOH"	44.998194
"363336"	557.478601	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+HCOOH-H"	44.998201
"349408"	571.494251	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+Hac-H"	59.013851
"1499338"	315.254051	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Hac-H"	59.013851
"959342"	323.220351	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-H+NaCOOH"	66.980151
"111412"	291.209602	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+2Cl"	69.938804
"551334"	419.329702	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+2Cl"	69.938804
"1029620"	163.089502	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2Cl"	69.938804
"1243731"	335.159085	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Br"	78.918885
"1308364"	337.215072	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Cl+HCOOH"	80.974872
"1325861"	359.197029	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Cl+NaCOOH"	102.956829
"918011"	369.225786	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M-H+CF3COOH"	112.985586
"1298000"	405.202464	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Cl+CF3COOH"	148.962264
"1370698"	221.227524	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H-2H2O"	-35.012676
"1383820"	239.2375	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H-H2O"	-17.0027
"290073"	513.487676	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+H"	1.007276
"681399"	769.727876	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+H"	1.007276
"1356655"	257.247476	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H"	1.007276
"128450"	257.247476	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+2H"	2.014552
"567642"	385.367576	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+2H"	2.014552
"1038870"	129.127376	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2H"	2.014552
"206529"	171.834076	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+3H"	3.021828
"646464"	257.247476	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+3H"	3.021828
"1170056"	86.420676	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+3H"	3.021828
"427861"	530.514223	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+NH4"	18.033823
"788856"	786.754423	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+NH4"	18.033823
"1687370"	274.274023	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+NH4"	18.033823
"335654"	265.7607495	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+H+NH4"	19.041099
"736107"	393.8808495	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+H+NH4"	19.041099
"1488832"	137.6406495	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H+NH4"	19.041099
"405322"	535.469618	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+Na"	22.989218
"764860"	791.709818	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+Na"	22.989218
"1611866"	279.229418	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Na"	22.989218
"321900"	268.238447	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+H+Na"	23.996494
"717599"	396.358547	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+H+Na"	23.996494
"1465951"	140.118347	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H+Na"	23.996494
"1061386"	93.74799	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2H+Na"	25.00377
"1263064"	289.273686	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+CH3OH+H"	33.033486
"386741"	551.443558	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+K"	38.963158
"748102"	807.683758	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+K"	38.963158
"1553807"	295.203358	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+K"	38.963158
"312438"	276.225417	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+H+K"	39.970434
"705224"	404.345517	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+H+K"	39.970434
"1455398"	148.105317	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H+K"	39.970434
"239988"	554.514226	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+ACN+H"	42.033826
"1223398"	298.274026	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+ACN+H"	42.033826
"1209513"	149.640651	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+ACN+2H"	43.041102
"203191"	557.45156	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+2Na-H"	44.97116
"643848"	813.69176	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+2Na-H"	44.97116
"1145893"	301.21136	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2Na-H"	44.97116
"186753"	279.229418	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+2Na"	45.978436
"627167"	407.349518	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+2Na"	45.978436
"1128601"	151.109318	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2Na"	45.978436
"1411151"	101.075304	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H+2Na"	46.985712
"1441080"	303.252946	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H+HCOOH"	47.012746
"228590"	284.26244	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+3H2O+2H"	56.04448
"1517745"	317.30499	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+IsoProp+H"	61.06479
"417432"	287.216388	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+Na+K"	61.952376
"775507"	415.336488	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+Na+K"	61.952376
"1673660"	159.096288	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Na+K"	61.952376
"257997"	576.496168	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+ACN+Na"	64.015768
"1229614"	320.255968	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+ACN+Na"	64.015768
"1715949"	320.279493	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+NH4+HCOOH"	64.039293
"1189328"	108.402618	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+3Na"	68.967654
"1665546"	325.234888	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Na+HCOOH"	68.994688
"172796"	589.39944	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+2K-H"	76.91904
"611971"	845.63964	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+2K-H"	76.91904
"1097451"	333.15924	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2K-H"	76.91904
"150258"	295.203358	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"2M+2K"	77.926316
"586538"	423.323458	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"3M+2K"	77.926316
"1073235"	167.083258	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2K"	77.926316
"1108634"	335.173792	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2K+H"	78.933592
"1342830"	335.261407	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+DMSO+H"	79.021207
"1009171"	339.300576	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2ACN+H"	83.060376
"1538238"	340.294208	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+IsoProp+Na+H"	84.054008
"1002498"	170.153926	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+2ACN+2H"	84.067652
"1597004"	341.208828	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+K+HCOOH"	84.968628
"1425945"	371.240338	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+H+CF3COOH"	115.000138
"1156233"	190.667201	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+3ACN+2H"	125.094202
"1709064"	388.266885	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+NH4+CF3COOH"	132.026685
"1643621"	393.22228	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+Na+CF3COOH"	136.98208
"1581458"	409.19622	"C00249"	"Hexadecanoic acid;Hexadecanoate;Hexadecylic acid;Palmitic acid;Palmitate;Cetylic acid"	"C16H32O2"	"256.2402"	"M+K+CF3COOH"	152.95602
"808543"	167.0582	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M"	0
"978794"	148.03981	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"68128"	110.364857333333	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"508782"	166.050924	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"886583"	54.6787906666667	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"5158"	166.050924	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"444720"	249.580024	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"820698"	82.521824	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"87984"	333.109124	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"529730"	500.167324	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"902071"	166.050924	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"53165"	350.135671	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"493818"	517.193871	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"871619"	183.077471	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"43532"	355.091066	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"479079"	522.149266	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"859070"	188.032866	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1626416"	188.032866	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"104036"	184.039263	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"540320"	267.568363	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"933835"	100.510163	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"273483"	369.085802	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"665910"	536.144002	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1276129"	202.027602	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"17591"	371.065006	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"457150"	538.123206	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"833982"	204.006806	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1555841"	204.006806	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"949606"	212.056394	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"362472"	379.114601	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"349518"	393.130251	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1499448"	226.072051	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"959574"	234.038351	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"111158"	202.027602	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"552902"	285.556702	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1028637"	118.498502	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1244934"	245.977085	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1308474"	248.033072	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1324878"	270.015029	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"917028"	280.043786	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1298110"	316.020464	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1368986"	132.045524	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1383565"	150.0555	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"290183"	335.123676	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"680416"	502.181876	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1355672"	168.065476	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"127831"	168.065476	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"567391"	251.594576	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1042385"	84.536376	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"207368"	112.379409333333	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"646934"	168.065476	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1167979"	56.6933426666667	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"427240"	352.150223	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"787867"	519.208423	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1683832"	185.092023	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"335760"	176.5787495	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"736579"	260.1078495	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1490399"	93.0496495	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"406525"	357.105618	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"766792"	524.163818	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1614161"	190.047418	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"323103"	179.056447	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"716615"	262.585547	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1467156"	95.527347	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1061496"	64.0206566666667	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1266455"	200.091686	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"387216"	373.079558	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"749304"	540.137758	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1554524"	206.021358	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"309628"	187.043417	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"703511"	270.572517	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1455871"	103.514317	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"244472"	376.150226	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1224114"	209.092026	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1208973"	105.049651	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"201233"	379.08756	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"643107"	546.14576	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1146001"	212.02936	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"187229"	190.047418	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"626061"	273.576518	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1127739"	106.518318	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1410896"	71.3479706666667	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1441919"	214.070946	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"224326"	195.08044	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1515668"	228.12299	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"415353"	198.034388	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"775617"	281.563488	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1673769"	114.505288	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"258107"	398.132168	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1235924"	231.073968	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1717519"	231.097493	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1188345"	78.6752846666667	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1665489"	236.052888	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"172403"	411.03544	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"612571"	578.09364	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1093552"	243.97724	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"147088"	206.021358	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"583732"	289.550458	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1074438"	122.492258	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1109837"	245.991792	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1342940"	246.079407	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1009281"	250.118576	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1536891"	251.112208	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"1000422"	125.562926	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1597114"	252.026828	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1427149"	282.058338	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1158530"	146.076201	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1705894"	299.084885	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1640450"	304.04028	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1581568"	320.01422	"C00250"	"Pyridoxal"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"808653"	226.0477	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M"	0
"982184"	207.02931	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-H2O-H"	-19.01839
"71518"	149.691190666667	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M-3H"	-3.021828
"506704"	225.040424	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M-3H"	-3.021828
"886693"	74.3419573333333	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-3H"	-3.021828
"5267"	225.040424	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M-2H"	-2.014552
"444830"	338.064274	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M-2H"	-2.014552
"820807"	112.016574	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-2H"	-2.014552
"89188"	451.088124	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M-H"	-1.007276
"528747"	677.135824	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M-H"	-1.007276
"902181"	225.040424	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-H"	-1.007276
"53275"	468.114671	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M-2H+NH4"	16.019271
"499396"	694.162371	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M-2H+NH4"	16.019271
"871730"	242.066971	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-2H+NH4"	16.019271
"42912"	473.070066	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M-2H+Na"	20.974666
"480283"	699.117766	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M-2H+Na"	20.974666
"859179"	247.022366	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-2H+Na"	20.974666
"1628713"	247.022366	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Na-2H"	20.974666
"101960"	243.028763	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M-H+Cl"	33.962126
"540430"	356.052613	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M-H+Cl"	33.962126
"933945"	130.004913	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-H+Cl"	33.962126
"273593"	487.064802	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+Cl"	34.969402
"669300"	713.112502	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+Cl"	34.969402
"1276239"	261.017102	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Cl"	34.969402
"17701"	489.044006	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M-2H+K"	36.948606
"458356"	715.091706	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M-2H+K"	36.948606
"838345"	262.996306	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-2H+K"	36.948606
"1557457"	262.996306	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+K-2H"	36.948606
"948623"	271.045894	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-H+HCOOH"	44.998194
"361851"	497.093601	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+HCOOH-H"	44.998201
"349628"	511.109251	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+Hac-H"	59.013851
"1498464"	285.061551	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Hac-H"	59.013851
"960171"	293.027851	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-H+NaCOOH"	66.980151
"112360"	261.017102	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+2Cl"	69.938804
"551919"	374.040952	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+2Cl"	69.938804
"1029840"	147.993252	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2Cl"	69.938804
"1245044"	304.966585	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Br"	78.918885
"1308584"	307.022572	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Cl+HCOOH"	80.974872
"1327174"	329.004529	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Cl+NaCOOH"	102.956829
"918231"	339.033286	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M-H+CF3COOH"	112.985586
"1294940"	375.009964	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Cl+CF3COOH"	148.962264
"1368367"	191.035024	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H-2H2O"	-35.012676
"1385134"	209.045	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H-H2O"	-17.0027
"290292"	453.102676	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+H"	1.007276
"681619"	679.150376	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+H"	1.007276
"1355781"	227.054976	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H"	1.007276
"126115"	227.054976	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+2H"	2.014552
"567862"	340.078826	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+2H"	2.014552
"1050148"	114.031126	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2H"	2.014552
"210759"	151.705742666667	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+3H"	3.021828
"646313"	227.054976	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+3H"	3.021828
"1166992"	76.3565093333333	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+3H"	3.021828
"428079"	470.129223	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+NH4"	18.033823
"789070"	696.176923	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+NH4"	18.033823
"1682848"	244.081523	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+NH4"	18.033823
"335869"	235.5682495	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+H+NH4"	19.041099
"728296"	348.5920995	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+H+NH4"	19.041099
"1491964"	122.5443995	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H+NH4"	19.041099
"406267"	475.084618	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+Na"	22.989218
"758515"	701.132318	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+Na"	22.989218
"1616092"	249.036918	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Na"	22.989218
"323213"	238.045947	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+H+Na"	23.996494
"715632"	351.069797	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+H+Na"	23.996494
"1467263"	125.022097	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H+Na"	23.996494
"1061606"	83.6838233333333	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2H+Na"	25.00377
"1266565"	259.081186	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+CH3OH+H"	33.033486
"384046"	491.058558	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+K"	38.963158
"749414"	717.106258	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+K"	38.963158
"1550375"	265.010858	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+K"	38.963158
"309738"	246.032917	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+H+K"	39.970434
"703984"	359.056767	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+H+K"	39.970434
"1455982"	133.009067	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H+K"	39.970434
"246769"	494.129226	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+ACN+H"	42.033826
"1221671"	268.081526	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+ACN+H"	42.033826
"1208592"	134.544401	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+ACN+2H"	43.041102
"198426"	497.06656	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+2Na-H"	44.97116
"641266"	723.11426	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+2Na-H"	44.97116
"1145743"	271.01886	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2Na-H"	44.97116
"185874"	249.036918	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+2Na"	45.978436
"626529"	362.060768	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+2Na"	45.978436
"1127849"	136.013068	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2Na"	45.978436
"1412829"	91.0111373333333	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H+2Na"	46.985712
"1442392"	273.060446	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H+HCOOH"	47.012746
"229898"	254.06994	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+3H2O+2H"	56.04448
"1521242"	287.11249	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+IsoProp+H"	61.06479
"415464"	257.023888	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+Na+K"	61.952376
"778643"	370.047738	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+Na+K"	61.952376
"1673879"	144.000038	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Na+K"	61.952376
"258217"	516.111168	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+ACN+Na"	64.015768
"1235305"	290.063468	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+ACN+Na"	64.015768
"1717629"	290.086993	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+NH4+HCOOH"	64.039293
"1188455"	98.3384513333333	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+3Na"	68.967654
"1661630"	295.042388	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Na+HCOOH"	68.994688
"166303"	529.01444	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+2K-H"	76.91904
"610606"	755.06214	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+2K-H"	76.91904
"1099006"	302.96674	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2K-H"	76.91904
"147192"	265.010858	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"2M+2K"	77.926316
"591127"	378.034708	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"3M+2K"	77.926316
"1075639"	151.987008	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2K"	77.926316
"1100704"	304.981292	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2K+H"	78.933592
"1341957"	305.068907	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+DMSO+H"	79.021207
"1010849"	309.108076	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2ACN+H"	83.060376
"1537365"	310.101708	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+IsoProp+Na+H"	84.054008
"1003691"	155.057676	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+2ACN+2H"	84.067652
"1597224"	311.016328	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+K+HCOOH"	84.968628
"1427259"	341.047838	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+H+CF3COOH"	115.000138
"1158640"	175.570951	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+3ACN+2H"	125.094202
"1706004"	358.074385	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+NH4+CF3COOH"	132.026685
"1640560"	363.02978	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+Na+CF3COOH"	136.98208
"1581678"	379.00372	"C00251"	"Chorismate;Chorismic acid;(3R4R)-3-(1-Carboxyethenyl)oxy-4-hydroxycyclohexa-15-diene-1-carboxylate"	"C10H10O6"	"226.0477"	"M+K+CF3COOH"	152.95602
"808763"	342.1162	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M"	0
"982294"	323.09781	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"71628"	227.070190666667	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"506083"	341.108924	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"886803"	113.031457333333	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"3553"	341.108924	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"444940"	512.167024	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"822010"	170.050824	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"89298"	683.225124	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"528857"	1025.341324	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"901198"	341.108924	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"53385"	700.251671	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"498412"	1042.367871	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"872933"	358.135471	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"38646"	705.207066	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"481486"	1047.323266	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"857103"	363.090866	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1626636"	363.090866	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"102069"	359.097263	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"539810"	530.155363	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"936239"	188.039163	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"273703"	719.201802	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"668315"	1061.318002	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1275249"	377.085602	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"19268"	721.181006	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"458099"	1063.297206	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"838455"	379.064806	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1557929"	379.064806	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"949826"	387.114394	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"361963"	729.230601	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"349738"	743.246251	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1500031"	401.130051	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"962833"	409.096351	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"114294"	377.085602	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"552396"	548.143702	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1023752"	206.027502	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1245154"	421.035085	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1307601"	423.091072	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1328378"	445.073029	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"917247"	455.101786	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1296143"	491.078464	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1368113"	307.103524	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1384516"	325.1135	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"286389"	685.239676	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"679543"	1027.355876	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1352974"	343.123476	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"126224"	343.123476	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"567974"	514.181576	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1043698"	172.065376	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"208317"	229.084742666667	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"645330"	343.123476	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1166374"	115.046009333333	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"428189"	702.266223	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"789180"	1044.382423	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1682594"	360.150023	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"335250"	351.6367495	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"726216"	522.6948495	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1481134"	180.5786495	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"396535"	707.221618	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"759717"	1049.337818	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1611097"	365.105418	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"321134"	354.114447	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"713554"	525.172547	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1468465"	183.056347	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1062809"	122.373323333333	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1267768"	375.149686	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"387435"	723.195558	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"748430"	1065.311758	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1551578"	381.079358	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"309846"	362.101417	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"701176"	533.159517	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1459979"	191.043317	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"249795"	726.266226	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1224941"	384.150026	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1206757"	192.578651	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"198536"	729.20356	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"639189"	1071.31976	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1146746"	387.08736	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"187077"	365.105418	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"626275"	536.163518	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1130144"	194.047318	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1413668"	129.700637333333	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1443961"	389.128946	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"234020"	370.13844	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1521352"	403.18099	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"417759"	373.092388	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"777660"	544.150488	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1673989"	202.034288	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"257234"	748.248168	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1229942"	406.131968	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1719926"	406.155493	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1187469"	137.027951333333	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1661738"	411.110888	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"167507"	761.15144	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"611934"	1103.26764	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1094861"	419.03524	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"148395"	381.079358	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"594396"	552.137458	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1075749"	210.021258	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1101665"	421.049792	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1340974"	421.137407	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1013876"	425.176576	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1535288"	426.170208	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1004410"	213.091926	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1597334"	427.084828	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1429556"	457.116338	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1162030"	233.605201	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1709394"	474.142885	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1640670"	479.09828	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1581788"	495.07222	"C00252"	"Isomaltose;Brachiose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"808873"	123.032	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M"	0
"979124"	104.01361	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H2O-H"	-19.01839
"71738"	81.0140573333333	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-3H"	-3.021828
"503886"	122.024724	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-3H"	-3.021828
"886913"	40.0033906666667	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-3H"	-3.021828
"2206"	122.024724	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H"	-2.014552
"445050"	183.540724	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H"	-2.014552
"821756"	60.508724	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H"	-2.014552
"89408"	245.056724	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-H"	-1.007276
"527874"	368.088724	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-H"	-1.007276
"901308"	122.024724	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H"	-1.007276
"52402"	262.083271	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H+NH4"	16.019271
"495242"	385.115271	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H+NH4"	16.019271
"870857"	139.051271	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H+NH4"	16.019271
"38757"	267.038666	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H+Na"	20.974666
"480503"	390.070666	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H+Na"	20.974666
"857213"	144.006666	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H+Na"	20.974666
"1627840"	144.006666	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na-2H"	20.974666
"101086"	140.013063	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-H+Cl"	33.962126
"538463"	201.529063	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-H+Cl"	33.962126
"934163"	78.497063	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+Cl"	33.962126
"272720"	281.033402	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Cl"	34.969402
"662593"	404.065402	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+Cl"	34.969402
"1275363"	158.001402	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl"	34.969402
"21201"	283.012606	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H+K"	36.948606
"457845"	406.044606	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H+K"	36.948606
"835285"	159.980606	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H+K"	36.948606
"1557553"	159.980606	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K-2H"	36.948606
"944468"	168.030194	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+HCOOH"	44.998194
"361951"	291.062201	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+HCOOH-H"	44.998201
"349848"	305.077851	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Hac-H"	59.013851
"1499412"	182.045851	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Hac-H"	59.013851
"962579"	190.012151	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+NaCOOH"	66.980151
"112944"	158.001402	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2Cl"	69.938804
"553965"	219.517402	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2Cl"	69.938804
"1024220"	96.485402	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2Cl"	69.938804
"1246351"	201.950885	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Br"	78.918885
"1308804"	204.006872	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl+HCOOH"	80.974872
"1323019"	225.988829	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl+NaCOOH"	102.956829
"915170"	236.017586	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+CF3COOH"	112.985586
"1288755"	271.994264	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl+CF3COOH"	148.962264
"1367491"	88.019324	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H-2H2O"	-35.012676
"1384990"	106.0293	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H-H2O"	-17.0027
"289415"	247.071276	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H"	1.007276
"684025"	370.103276	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H"	1.007276
"1354907"	124.039276	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H"	1.007276
"127794"	124.039276	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2H"	2.014552
"568813"	185.555276	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2H"	2.014552
"1043808"	62.523276	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2H"	2.014552
"207335"	83.0286093333333	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+3H"	3.021828
"646170"	124.039276	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+3H"	3.021828
"1167577"	42.0179426666667	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+3H"	3.021828
"428299"	264.097823	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+NH4"	18.033823
"788927"	387.129823	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+NH4"	18.033823
"1681976"	141.065823	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+NH4"	18.033823
"334996"	132.5525495	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H+NH4"	19.041099
"728512"	194.0685495	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H+NH4"	19.041099
"1482334"	71.0365495	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+NH4"	19.041099
"399923"	269.053218	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Na"	22.989218
"760918"	392.085218	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+Na"	22.989218
"1611205"	146.021218	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na"	22.989218
"322337"	135.030247	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H+Na"	23.996494
"712568"	196.546247	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H+Na"	23.996494
"1465294"	73.514247	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+Na"	23.996494
"1061825"	49.3452566666667	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2H+Na"	25.00377
"1263504"	156.065486	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+CH3OH+H"	33.033486
"386452"	285.027158	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+K"	38.963158
"746353"	408.059158	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+K"	38.963158
"1548408"	161.995158	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K"	38.963158
"304489"	143.017217	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H+K"	39.970434
"702379"	204.533217	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H+K"	39.970434
"1457292"	81.501217	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+K"	39.970434
"249540"	288.097826	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+ACN+H"	42.033826
"1221890"	165.065826	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+ACN+H"	42.033826
"1199213"	83.036551	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+ACN+2H"	43.041102
"198646"	291.03516	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2Na-H"	44.97116
"639300"	414.06716	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2Na-H"	44.97116
"1146734"	168.00316	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2Na-H"	44.97116
"186097"	146.021218	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2Na"	45.978436
"626750"	207.537218	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2Na"	45.978436
"1128796"	84.505218	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2Na"	45.978436
"1411956"	56.6725706666667	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+2Na"	46.985712
"1442612"	170.044746	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+HCOOH"	47.012746
"231214"	151.05424	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+3H2O+2H"	56.04448
"1521462"	184.09679	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+IsoProp+H"	61.06479
"417869"	154.008188	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Na+K"	61.952376
"779957"	215.524188	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+Na+K"	61.952376
"1674099"	92.492188	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na+K"	61.952376
"259532"	310.079768	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+ACN+Na"	64.015768
"1230052"	187.047768	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+ACN+Na"	64.015768
"1718943"	187.071293	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+NH4+HCOOH"	64.039293
"1187579"	63.9998846666667	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+3Na"	68.967654
"1662941"	192.026688	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na+HCOOH"	68.994688
"168710"	322.98304	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2K-H"	76.91904
"611921"	446.01504	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2K-H"	76.91904
"1098250"	199.95104	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2K-H"	76.91904
"147412"	161.995158	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2K"	77.926316
"594627"	223.511158	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2K"	77.926316
"1071484"	100.479158	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2K"	77.926316
"1101045"	201.965592	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2K+H"	78.933592
"1339990"	202.053207	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+DMSO+H"	79.021207
"1011069"	206.092376	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2ACN+H"	83.060376
"1535398"	207.086008	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+IsoProp+Na+H"	84.054008
"1005007"	103.549826	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2ACN+2H"	84.067652
"1597444"	208.000628	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K+HCOOH"	84.968628
"1428572"	238.032138	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+CF3COOH"	115.000138
"1161776"	124.063101	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+3ACN+2H"	125.094202
"1708411"	255.058685	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+NH4+CF3COOH"	132.026685
"1640780"	260.01408	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na+CF3COOH"	136.98208
"1581898"	275.98802	"C00253"	"Nicotinate;Nicotinic acid;Niacin;3-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K+CF3COOH"	152.95602
"808983"	226.0477	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M"	0
"975954"	207.02931	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-H2O-H"	-19.01839
"68568"	149.691190666667	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M-3H"	-3.021828
"505211"	225.040424	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M-3H"	-3.021828
"882284"	74.3419573333333	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-3H"	-3.021828
"5597"	225.040424	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M-2H"	-2.014552
"442973"	338.064274	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M-2H"	-2.014552
"824052"	112.016574	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-2H"	-2.014552
"89518"	451.088124	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M-H"	-1.007276
"527984"	677.135824	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M-H"	-1.007276
"899232"	225.040424	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-H"	-1.007276
"50689"	468.114671	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M-2H+NH4"	16.019271
"492071"	694.162371	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M-2H+NH4"	16.019271
"869872"	242.066971	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-2H+NH4"	16.019271
"37774"	473.070066	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M-2H+Na"	20.974666
"477333"	699.117766	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M-2H+Na"	20.974666
"857324"	247.022366	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-2H+Na"	20.974666
"1626857"	247.022366	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Na-2H"	20.974666
"97916"	243.028763	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M-H+Cl"	33.962126
"537480"	356.052613	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M-H+Cl"	33.962126
"930994"	130.004913	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-H+Cl"	33.962126
"270644"	487.064802	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+Cl"	34.969402
"664162"	713.112502	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+Cl"	34.969402
"1274746"	261.017102	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Cl"	34.969402
"23498"	489.044006	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M-2H+K"	36.948606
"456250"	715.091706	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M-2H+K"	36.948606
"835395"	262.996306	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-2H+K"	36.948606
"1557421"	262.996306	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+K-2H"	36.948606
"945671"	271.045894	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-H+HCOOH"	44.998194
"361854"	497.093601	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+HCOOH-H"	44.998201
"349958"	511.109251	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+Hac-H"	59.013851
"1494784"	285.061551	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Hac-H"	59.013851
"962325"	293.027851	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-H+NaCOOH"	66.980151
"111233"	261.017102	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+2Cl"	69.938804
"553711"	374.040952	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+2Cl"	69.938804
"1024697"	147.993252	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2Cl"	69.938804
"1247556"	304.966585	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Br"	78.918885
"1308914"	307.022572	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Cl+HCOOH"	80.974872
"1323129"	329.004529	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Cl+NaCOOH"	102.956829
"914187"	339.033286	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M-H+CF3COOH"	112.985586
"1289801"	375.009964	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Cl+CF3COOH"	148.962264
"1367967"	191.035024	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H-2H2O"	-35.012676
"1389838"	209.045	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H-H2O"	-17.0027
"291711"	453.102676	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+H"	1.007276
"683038"	679.150376	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+H"	1.007276
"1355017"	227.054976	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H"	1.007276
"126932"	227.054976	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+2H"	2.014552
"572933"	340.078826	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+2H"	2.014552
"1047198"	114.031126	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2H"	2.014552
"209632"	151.705742666667	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+3H"	3.021828
"646280"	227.054976	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+3H"	3.021828
"1167323"	76.3565093333333	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+3H"	3.021828
"426223"	470.129223	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+NH4"	18.033823
"788309"	696.176923	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+NH4"	18.033823
"1682816"	244.081523	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+NH4"	18.033823
"331826"	235.5682495	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+H+NH4"	19.041099
"725342"	348.5920995	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+H+NH4"	19.041099
"1480257"	122.5443995	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H+NH4"	19.041099
"395654"	475.084618	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+Na"	22.989218
"756652"	701.132318	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+Na"	22.989218
"1606938"	249.036918	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Na"	22.989218
"316976"	238.045947	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+H+Na"	23.996494
"713772"	351.069797	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+H+Na"	23.996494
"1468685"	125.022097	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H+Na"	23.996494
"1059749"	83.6838233333333	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2H+Na"	25.00377
"1263614"	259.081186	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+CH3OH+H"	33.033486
"386562"	491.058558	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+K"	38.963158
"744276"	717.106258	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+K"	38.963158
"1547424"	265.010858	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+K"	38.963158
"306785"	246.032917	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+H+K"	39.970434
"700302"	359.056767	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+H+K"	39.970434
"1459590"	133.009067	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H+K"	39.970434
"251154"	494.129226	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+ACN+H"	42.033826
"1218720"	268.081526	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+ACN+H"	42.033826
"1198230"	134.544401	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+ACN+2H"	43.041102
"197663"	497.06656	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+2Na-H"	44.97116
"638317"	723.11426	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+2Na-H"	44.97116
"1140728"	271.01886	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2Na-H"	44.97116
"182563"	249.036918	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+2Na"	45.978436
"621029"	362.060768	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+2Na"	45.978436
"1125993"	136.013068	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2Na"	45.978436
"1409152"	91.0111373333333	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H+2Na"	46.985712
"1440901"	273.060446	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H+HCOOH"	47.012746
"231690"	254.06994	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+3H2O+2H"	56.04448
"1519023"	287.11249	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+IsoProp+H"	61.06479
"417978"	257.023888	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+Na+K"	61.952376
"782619"	370.047738	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+Na+K"	61.952376
"1674209"	144.000038	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Na+K"	61.952376
"259642"	516.111168	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+ACN+Na"	64.015768
"1231256"	290.063468	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+ACN+Na"	64.015768
"1717959"	290.086993	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+NH4+HCOOH"	64.039293
"1184407"	98.3384513333333	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+3Na"	68.967654
"1659769"	295.042388	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Na+HCOOH"	68.994688
"166630"	529.01444	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+2K-H"	76.91904
"611662"	755.06214	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+2K-H"	76.91904
"1096173"	302.96674	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2K-H"	76.91904
"146426"	265.010858	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"2M+2K"	77.926316
"585260"	378.034708	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"3M+2K"	77.926316
"1071594"	151.987008	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2K"	77.926316
"1101156"	304.981292	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2K+H"	78.933592
"1339370"	305.068907	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+DMSO+H"	79.021207
"1009357"	309.108076	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2ACN+H"	83.060376
"1538911"	310.101708	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+IsoProp+Na+H"	84.054008
"1005320"	155.057676	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+2ACN+2H"	84.067652
"1597554"	311.016328	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+K+HCOOH"	84.968628
"1429412"	341.047838	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+H+CF3COOH"	115.000138
"1160793"	175.570951	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+3ACN+2H"	125.094202
"1706334"	358.074385	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+NH4+CF3COOH"	132.026685
"1640890"	363.02978	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+Na+CF3COOH"	136.98208
"1582008"	379.00372	"C00254"	"Prephenate;Prephenic acid"	"C10H10O6"	"226.0477"	"M+K+CF3COOH"	152.95602
"809093"	376.1383	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M"	0
"978250"	357.11991	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-H2O-H"	-19.01839
"68678"	249.751590666667	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M-3H"	-3.021828
"503865"	375.131024	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M-3H"	-3.021828
"883854"	124.372157333333	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-3H"	-3.021828
"11175"	375.131024	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M-2H"	-2.014552
"449643"	563.200174	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M-2H"	-2.014552
"824163"	187.061874	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-2H"	-2.014552
"89628"	751.269324	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M-H"	-1.007276
"528094"	1127.407624	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M-H"	-1.007276
"903710"	375.131024	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-H"	-1.007276
"53709"	768.295871	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M-2H+NH4"	16.019271
"494368"	1144.434171	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M-2H+NH4"	16.019271
"871077"	392.157571	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-2H+NH4"	16.019271
"37885"	773.251266	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M-2H+Na"	20.974666
"478537"	1149.389566	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M-2H+Na"	20.974666
"859622"	397.112966	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-2H+Na"	20.974666
"1628061"	397.112966	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Na-2H"	20.974666
"96932"	393.119363	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M-H+Cl"	33.962126
"537590"	581.188513	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M-H+Cl"	33.962126
"930011"	205.050213	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-H+Cl"	33.962126
"269661"	787.246002	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+Cl"	34.969402
"663179"	1163.384302	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+Cl"	34.969402
"1276679"	411.107702	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Cl"	34.969402
"29684"	789.225206	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M-2H+K"	36.948606
"456849"	1165.363506	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M-2H+K"	36.948606
"835505"	413.086906	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-2H+K"	36.948606
"1556804"	413.086906	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+K-2H"	36.948606
"946875"	421.136494	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-H+HCOOH"	44.998194
"361654"	797.274801	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+HCOOH-H"	44.998201
"350068"	811.290451	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+Hac-H"	59.013851
"1498905"	435.152151	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Hac-H"	59.013851
"963165"	443.118451	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-H+NaCOOH"	66.980151
"112074"	411.107702	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+2Cl"	69.938804
"552728"	599.176852	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+2Cl"	69.938804
"1030274"	223.038552	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2Cl"	69.938804
"1250946"	455.057185	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Br"	78.918885
"1309022"	457.113172	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Cl+HCOOH"	80.974872
"1321053"	479.095129	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Cl+NaCOOH"	102.956829
"912350"	489.123886	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M-H+CF3COOH"	112.985586
"1291003"	525.100564	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Cl+CF3COOH"	148.962264
"1367707"	341.125624	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H-2H2O"	-35.012676
"1387760"	359.1356	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H-H2O"	-17.0027
"294374"	753.283876	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+H"	1.007276
"686794"	1129.422176	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+H"	1.007276
"1360591"	377.145576	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H"	1.007276
"131297"	377.145576	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+2H"	2.014552
"573043"	565.214726	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+2H"	2.014552
"1045122"	189.076426	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2H"	2.014552
"214845"	251.766142666667	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+3H"	3.021828
"645662"	377.145576	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+3H"	3.021828
"1167433"	126.386709333333	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+3H"	3.021828
"430706"	770.310423	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+NH4"	18.033823
"789513"	1146.448723	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+NH4"	18.033823
"1689124"	394.172123	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+NH4"	18.033823
"331936"	385.6588495	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+H+NH4"	19.041099
"725452"	573.7279995	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+H+NH4"	19.041099
"1481460"	197.5896995	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H+NH4"	19.041099
"394306"	775.265818	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+Na"	22.989218
"756759"	1151.404118	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+Na"	22.989218
"1604861"	399.127518	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Na"	22.989218
"317086"	388.136547	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+H+Na"	23.996494
"713882"	576.205697	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+H+Na"	23.996494
"1465515"	200.067397	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H+Na"	23.996494
"1059859"	133.714023333333	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2H+Na"	25.00377
"1262631"	409.171786	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+CH3OH+H"	33.033486
"383392"	791.239758	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+K"	38.963158
"750584"	1167.378058	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+K"	38.963158
"1553367"	415.101458	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+K"	38.963158
"309448"	396.123517	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+H+K"	39.970434
"704422"	584.192667	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+H+K"	39.970434
"1459700"	208.054367	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H+K"	39.970434
"250738"	794.310426	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+ACN+H"	42.033826
"1222110"	418.172126	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+ACN+H"	42.033826
"1201620"	209.589701	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+ACN+2H"	43.041102
"197773"	797.24776	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+2Na-H"	44.97116
"638427"	1173.38606	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+2Na-H"	44.97116
"1141933"	421.10946	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2Na-H"	44.97116
"181580"	399.127518	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+2Na"	45.978436
"621868"	587.196668	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+2Na"	45.978436
"1127560"	211.058368	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2Na"	45.978436
"1411449"	141.041337333333	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H+2Na"	46.985712
"1441011"	423.151046	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H+HCOOH"	47.012746
"231800"	404.16054	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+3H2O+2H"	56.04448
"1522779"	437.20309	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+IsoProp+H"	61.06479
"419912"	407.114488	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+Na+K"	61.952376
"781637"	595.183638	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+Na+K"	61.952376
"1676871"	219.045338	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Na+K"	61.952376
"255735"	816.292368	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+ACN+Na"	64.015768
"1230997"	440.154068	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+ACN+Na"	64.015768
"1716602"	440.177593	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+NH4+HCOOH"	64.039293
"1183424"	148.368651333333	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+3Na"	68.967654
"1661701"	445.132988	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Na+HCOOH"	68.994688
"166740"	829.19564	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+2K-H"	76.91904
"611530"	1205.33394	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+2K-H"	76.91904
"1097376"	453.05734	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2K-H"	76.91904
"147629"	415.101458	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"2M+2K"	77.926316
"586099"	603.170608	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"3M+2K"	77.926316
"1070610"	227.032308	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2K"	77.926316
"1101143"	455.071892	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2K+H"	78.933592
"1340210"	455.159507	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+DMSO+H"	79.021207
"1008008"	459.198676	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2ACN+H"	83.060376
"1538412"	460.192308	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+IsoProp+Na+H"	84.054008
"994408"	230.102976	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+2ACN+2H"	84.067652
"1597664"	461.106928	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+K+HCOOH"	84.968628
"1428793"	491.138438	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+H+CF3COOH"	115.000138
"1161268"	250.616251	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+3ACN+2H"	125.094202
"1708631"	508.164985	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+NH4+CF3COOH"	132.026685
"1641000"	513.12038	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+Na+CF3COOH"	136.98208
"1582118"	529.09432	"C00255"	"Riboflavin;Lactoflavin;78-Dimethyl-10-ribitylisoalloxazine;Vitamin B2"	"C17H20N4O6"	"376.1383"	"M+K+CF3COOH"	152.95602
"812484"	90.0317	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M"	0
"982736"	71.01331	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"72071"	59.0138573333333	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"510537"	89.024424	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"892713"	29.0032906666667	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"9100"	89.024424	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"448660"	134.040274	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"827558"	44.008574	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"89739"	179.056124	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"528206"	269.087824	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"906009"	89.024424	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"62091"	196.082671	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"501523"	286.114371	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"875555"	106.050971	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"36893"	201.038066	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"479740"	291.069766	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"857543"	111.006366	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1627074"	111.006366	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"105795"	107.012763	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"545356"	152.028613	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"935590"	61.996913	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"269773"	215.032802	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"663291"	305.064502	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1276791"	125.001102	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"17281"	217.012006	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"467656"	307.043706	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"837802"	126.980306	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1558008"	126.980306	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"944799"	135.029894	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"364107"	225.061601	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"357471"	239.077251	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1497921"	149.045551	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"962185"	157.011851	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"112915"	125.001102	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"552476"	170.016952	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1022732"	79.985252	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1242672"	168.950585	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1305849"	171.006572	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1321525"	192.988529	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"912706"	203.017286	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1289656"	238.993964	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1369277"	55.019024	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1387869"	73.029	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"294120"	181.070676	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"684354"	271.102376	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1357422"	91.038976	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"135779"	91.038976	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"575339"	136.054826	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1050700"	46.023126	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"214225"	61.0284093333333	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"649417"	91.038976	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1168638"	31.0178426666667	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"428630"	198.097223	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"790719"	288.128923	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1688141"	108.065523	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"335326"	99.5522495	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"729941"	144.5680995	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1483760"	54.5363995	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"398064"	203.052618	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"759062"	293.084318	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1607159"	113.020918	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"317197"	102.029947	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"711805"	147.045797	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1467813"	57.014097	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1059969"	38.3451566666667	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1263832"	123.065186	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"381313"	219.026558	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"747776"	309.058258	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1546551"	128.994858	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"304819"	110.016917	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"700157"	155.032767	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1456164"	65.001067	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"249507"	222.097226	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1222220"	132.065526	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1203916"	66.536401	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"196789"	225.03456	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"641089"	315.06626	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1143139"	135.00286	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"183513"	113.020918	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"625625"	158.036768	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1127306"	68.005068	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1411195"	45.6724706666667	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1443675"	137.044446	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"235438"	118.05394	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1523255"	151.09649	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"423671"	121.007888	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"783571"	166.023738	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1676618"	75.992038	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"260950"	244.079168	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1236578"	154.047468	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1723277"	154.070993	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1186814"	52.9997846666667	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1657802"	159.026388	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"165757"	256.98244	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"610788"	347.01414	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1095297"	166.95074	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"143366"	128.994858	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"586573"	174.010708	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1068728"	83.979008	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1100645"	168.965292	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1336909"	169.052907	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1008118"	173.092076	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1538643"	174.085708	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"996705"	87.049676	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1597774"	175.000328	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1427810"	205.031838	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1161743"	107.562951	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1708741"	222.058385	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1641110"	227.01378	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1582228"	242.98772	"C00256"	"(R)-Lactate;D-Lactate;D-Lactic acid;D-2-Hydroxypropanoic acid;D-2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"809313"	196.0583	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M"	0
"974824"	177.03991	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"62939"	129.698257333333	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"502884"	195.051024	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"880794"	64.3454906666667	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"1555"	195.051024	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"442210"	293.080174	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"824383"	97.021874	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"85476"	391.109324	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"526129"	587.167624	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"908306"	195.051024	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"61586"	408.135871	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"496772"	604.194171	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"868011"	212.077571	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"35182"	413.091266	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"478756"	609.149566	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"853277"	217.032966	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1620623"	217.032966	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"100435"	213.039363	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"546560"	311.068513	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"928530"	115.010213	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"268057"	427.086002	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"666681"	623.144302	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1276901"	231.027702	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"17633"	429.065206	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"457925"	625.123506	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"836819"	233.006906	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1557753"	233.006906	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"947096"	241.056494	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"364581"	437.114801	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"354665"	451.130451	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1496936"	255.072151	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"961200"	263.038451	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"112295"	231.027702	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"555502"	329.056852	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1023207"	132.998552	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1243513"	274.977185	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1309241"	277.033172	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1320662"	299.015129	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"917799"	309.043886	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1289767"	345.020564	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1368656"	161.045624	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1387249"	179.0556	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"294231"	393.123876	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"687016"	589.182176	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1360812"	197.065576	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"135525"	197.065576	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"576545"	295.094726	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1045340"	99.036426	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"213971"	131.712809333333	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"651713"	197.065576	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1166563"	66.3600426666667	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"427647"	410.150423	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"786820"	606.208723	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1689346"	214.092123	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"337626"	205.5788495	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"728958"	303.6079995	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1484963"	107.5496995	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"395988"	415.105818	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"760265"	611.164118	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1605082"	219.047518	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"317307"	208.056547	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"710822"	306.085697	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1463549"	110.027397	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1057892"	73.6873566666667	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1262849"	229.091786	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"383610"	431.079758	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"750073"	627.138058	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1546660"	235.021458	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"304929"	216.043517	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"702089"	314.072667	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1456637"	118.014367	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"249860"	434.150426	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1222331"	238.092126	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1204027"	119.549701	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"196900"	437.08776	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"638645"	633.14606	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1144341"	241.02946	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"184350"	219.047518	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"625734"	317.076668	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1127049"	121.018368	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1407657"	81.0146706666667	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1442325"	243.071046	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"232752"	224.08054	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1521177"	257.12309	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"421226"	227.034488	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"782221"	325.063638	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1674539"	129.005338	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"261061"	456.132368	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1233769"	260.074068	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1721561"	260.097593	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1188748"	88.3419846666667	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1656819"	265.052988	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"164774"	469.03564	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"610898"	665.09394	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1094314"	272.97734	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"143476"	235.021458	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"586683"	333.050608	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1069039"	136.992308	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1100264"	274.991892	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1336654"	275.079507	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1008228"	279.118676	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1527084"	280.112308	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"993899"	140.062976	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1601164"	281.026928	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1427920"	311.058438	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1161488"	160.576251	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1708851"	328.084985	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1641220"	333.04038	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1582338"	349.01432	"C00257"	"D-Gluconic acid;D-Gluconate;D-gluco-Hexonic acid"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"809423"	106.0266	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M"	0
"979674"	87.00821	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-H2O-H"	-19.01839
"69008"	69.677124	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M-3H"	-3.021828
"514037"	105.019324	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M-3H"	-3.021828
"892933"	34.334924	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-3H"	-3.021828
"14787"	105.019324	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M-2H"	-2.014552
"451066"	158.032624	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M-2H"	-2.014552
"831054"	52.006024	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-2H"	-2.014552
"83399"	211.045924	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M-H"	-1.007276
"528426"	317.072524	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M-H"	-1.007276
"905135"	105.019324	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-H"	-1.007276
"59509"	228.072471	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M-2H+NH4"	16.019271
"496882"	334.099071	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M-2H+NH4"	16.019271
"872494"	122.045871	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-2H+NH4"	16.019271
"37479"	233.027866	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M-2H+Na"	20.974666
"477773"	339.054466	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M-2H+Na"	20.974666
"854480"	127.001266	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-2H+Na"	20.974666
"1621096"	127.001266	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Na-2H"	20.974666
"101638"	123.007663	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M-H+Cl"	33.962126
"544484"	176.020963	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M-H+Cl"	33.962126
"935810"	69.994363	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-H+Cl"	33.962126
"267923"	247.022602	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+Cl"	34.969402
"664604"	353.049202	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+Cl"	34.969402
"1277011"	140.996002	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Cl"	34.969402
"20660"	249.001806	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M-2H+K"	36.948606
"464595"	355.028406	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M-2H+K"	36.948606
"836929"	142.975206	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-2H+K"	36.948606
"1562602"	142.975206	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+K-2H"	36.948606
"951582"	151.024794	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-H+HCOOH"	44.998194
"368701"	257.051401	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+HCOOH-H"	44.998201
"356962"	271.067051	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+Hac-H"	59.013851
"1499232"	165.040451	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Hac-H"	59.013851
"967869"	173.006751	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-H+NaCOOH"	66.980151
"121152"	140.996002	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+2Cl"	69.938804
"553425"	194.009302	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+2Cl"	69.938804
"1022223"	87.982702	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2Cl"	69.938804
"1248362"	184.945485	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Br"	78.918885
"1309352"	187.001472	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Cl+HCOOH"	80.974872
"1321746"	208.983429	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Cl+NaCOOH"	102.956829
"921189"	219.012186	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M-H+CF3COOH"	112.985586
"1291700"	254.988864	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Cl+CF3COOH"	148.962264
"1370589"	71.013924	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H-2H2O"	-35.012676
"1387723"	89.0239	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H-H2O"	-17.0027
"293246"	213.060476	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+H"	1.007276
"684573"	319.087076	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+H"	1.007276
"1362381"	107.033876	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H"	1.007276
"130532"	107.033876	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+2H"	2.014552
"578477"	160.047176	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+2H"	2.014552
"1047637"	54.020576	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2H"	2.014552
"214810"	71.691676	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+3H"	3.021828
"648543"	107.033876	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+3H"	3.021828
"1169951"	36.349476	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+3H"	3.021828
"429943"	230.087023	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+NH4"	18.033823
"794220"	336.113623	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+NH4"	18.033823
"1693830"	124.060423	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+NH4"	18.033823
"335549"	115.5471495	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+H+NH4"	19.041099
"729061"	168.5604495	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+H+NH4"	19.041099
"1481786"	62.5338495	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H+NH4"	19.041099
"395731"	235.042418	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+Na"	22.989218
"757091"	341.069018	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+Na"	22.989218
"1606283"	129.015818	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Na"	22.989218
"319600"	118.024847	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+H+Na"	23.996494
"712019"	171.038147	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+H+Na"	23.996494
"1468025"	65.011547	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H+Na"	23.996494
"1059090"	43.67679	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2H+Na"	25.00377
"1262956"	139.060086	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+CH3OH+H"	33.033486
"379709"	251.016358	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+K"	38.963158
"747996"	357.042958	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+K"	38.963158
"1548956"	144.989758	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+K"	38.963158
"310505"	126.011817	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+H+K"	39.970434
"698551"	179.025117	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+H+K"	39.970434
"1450186"	72.998517	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H+K"	39.970434
"245349"	254.087026	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+ACN+H"	42.033826
"1221348"	148.060426	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+ACN+H"	42.033826
"1205229"	74.533851	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+ACN+2H"	43.041102
"199559"	257.02436	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+2Na-H"	44.97116
"639483"	363.05096	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+2Na-H"	44.97116
"1140076"	150.99776	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2Na-H"	44.97116
"184094"	129.015818	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+2Na"	45.978436
"624749"	182.029118	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+2Na"	45.978436
"1127524"	76.002518	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2Na"	45.978436
"1410319"	51.004104	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H+2Na"	46.985712
"1441342"	153.039346	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H+HCOOH"	47.012746
"231402"	134.04884	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+3H2O+2H"	56.04448
"1520195"	167.09139	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+IsoProp+H"	61.06479
"419149"	137.002788	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+Na+K"	61.952376
"778319"	190.016088	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+Na+K"	61.952376
"1671369"	83.989488	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Na+K"	61.952376
"258984"	276.068968	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+ACN+Na"	64.015768
"1228773"	170.042368	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+ACN+Na"	64.015768
"1716928"	170.065893	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+NH4+HCOOH"	64.039293
"1190681"	58.331418	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+3Na"	68.967654
"1656929"	175.021288	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Na+HCOOH"	68.994688
"164884"	288.97224	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+2K-H"	76.91904
"611373"	394.99884	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+2K-H"	76.91904
"1095517"	182.94564	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2K-H"	76.91904
"143950"	144.989758	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"2M+2K"	77.926316
"584606"	198.003058	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"3M+2K"	77.926316
"1069236"	91.976458	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2K"	77.926316
"1101959"	184.960192	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2K+H"	78.933592
"1337253"	185.047807	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+DMSO+H"	79.021207
"1008338"	189.086976	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2ACN+H"	83.060376
"1528287"	190.080608	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+IsoProp+Na+H"	84.054008
"994738"	95.047126	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+2ACN+2H"	84.067652
"1594713"	190.995228	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+K+HCOOH"	84.968628
"1425842"	221.026738	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+H+CF3COOH"	115.000138
"1159410"	115.560401	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+3ACN+2H"	125.094202
"1710054"	238.053285	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+NH4+CF3COOH"	132.026685
"1641330"	243.00868	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+Na+CF3COOH"	136.98208
"1582448"	258.98262	"C00258"	"D-Glycerate;Glycerate;(R)-Glycerate;Glyceric acid"	"C3H6O4"	"106.0266"	"M+K+CF3COOH"	152.95602
"816094"	150.0528	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M"	0
"986345"	131.03441	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"72399"	99.027924	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"513052"	149.045524	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"887573"	49.010324	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"11616"	149.045524	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"444617"	224.071924	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"826791"	74.019124	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"91164"	299.098324	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"528536"	449.151124	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"909135"	149.045524	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"59619"	316.124871	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"494805"	466.177671	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"870417"	166.072071	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"37589"	321.080266	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"480801"	471.133066	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"853497"	171.027466	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1623027"	171.027466	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"100655"	167.033863	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"544594"	242.060263	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"932640"	92.007463	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"267910"	335.075002	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"663621"	485.127802	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1277121"	185.022202	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"21863"	337.054206	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"466893"	487.107006	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"838133"	187.001406	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1560525"	187.001406	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"951692"	195.050994	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"367718"	345.103801	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"358895"	359.119451	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1502624"	209.066651	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"969073"	217.032951	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"125630"	185.022202	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"553536"	260.048602	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1024520"	109.995802	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1248108"	228.971685	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1309462"	231.027672	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1323679"	253.009629	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"923488"	263.038386	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1294727"	299.015064	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1369242"	115.040124	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1390388"	133.0501	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"296642"	301.112876	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"687599"	451.165676	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1362493"	151.060076	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"136841"	151.060076	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"578224"	226.086476	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1047749"	76.033676	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"215284"	101.042476	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"650841"	151.060076	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1173341"	51.024876	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"432241"	318.139423	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"796882"	468.192223	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1692120"	168.086623	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"343318"	159.5733495	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"726987"	234.5997495	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1481898"	84.5469495	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"398393"	323.094818	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"761575"	473.147618	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1608580"	173.042018	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"318617"	162.051047	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"711039"	237.077447	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1463765"	87.024647	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1058106"	58.35219	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1259056"	183.086286	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"378604"	339.068758	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"747013"	489.121558	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1545786"	189.015958	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"308064"	170.038017	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"697569"	245.064417	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1449203"	95.011617	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"243272"	342.139426	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1223643"	192.086626	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1204247"	96.546951	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"200033"	345.07676	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"641048"	495.12956	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1139091"	195.02396	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"181291"	173.042018	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"621942"	248.068418	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1124354"	98.015618	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1405689"	65.679504	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1442181"	197.065546	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"231878"	178.07504	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1519572"	211.11759	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"419987"	181.028988	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"777335"	256.055388	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1671479"	106.002588	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259094"	364.121368	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1227060"	214.068568	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1713552"	214.092093	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1191886"	73.006818	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1657040"	219.047488	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"166088"	377.02464	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"607836"	527.07744	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1095630"	226.97184	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"145885"	189.015958	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"582166"	264.042358	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1071050"	113.989558	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1103164"	228.986392	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1338457"	229.074007	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1011365"	233.113176	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1524425"	234.106808	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"993755"	117.060226	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1599198"	235.021428	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1422672"	265.052938	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1159522"	137.573501	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1710164"	282.079485	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1641440"	287.03488	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1582558"	303.00882	"C00259"	"L-Arabinose;L-Arabinopyranose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"809643"	106.0419	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M"	0
"979894"	87.02351	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-H2O-H"	-19.01839
"65948"	69.687324	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M-3H"	-3.021828
"507694"	105.034624	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M-3H"	-3.021828
"889869"	34.340024	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-3H"	-3.021828
"11724"	105.034624	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M-2H"	-2.014552
"446912"	158.055574	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M-2H"	-2.014552
"823620"	52.013674	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-2H"	-2.014552
"86901"	211.076524	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M-H"	-1.007276
"528646"	317.118424	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M-H"	-1.007276
"906451"	105.034624	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-H"	-1.007276
"59729"	228.103071	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M-2H+NH4"	16.019271
"498195"	334.144971	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M-2H+NH4"	16.019271
"871621"	122.061171	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-2H+NH4"	16.019271
"39521"	233.058466	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M-2H+Na"	20.974666
"481267"	339.100366	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M-2H+Na"	20.974666
"852512"	127.016566	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-2H+Na"	20.974666
"1623136"	127.016566	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Na-2H"	20.974666
"96393"	123.022963	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M-H+Cl"	33.962126
"541425"	176.043913	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M-H+Cl"	33.962126
"930564"	70.002013	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-H+Cl"	33.962126
"267535"	247.053202	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+Cl"	34.969402
"663731"	353.095102	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+Cl"	34.969402
"1280511"	141.011302	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Cl"	34.969402
"24160"	249.032406	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M-2H+K"	36.948606
"468826"	355.074306	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M-2H+K"	36.948606
"838243"	142.990506	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-2H+K"	36.948606
"1558449"	142.990506	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+K-2H"	36.948606
"951802"	151.040094	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-H+HCOOH"	44.998194
"366735"	257.082001	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+HCOOH-H"	44.998201
"359005"	271.097651	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+Hac-H"	59.013851
"1499454"	165.055751	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Hac-H"	59.013851
"972464"	173.022051	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-H+NaCOOH"	66.980151
"123559"	141.011302	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+2Cl"	69.938804
"552184"	194.032252	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+2Cl"	69.938804
"1024267"	87.990352	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2Cl"	69.938804
"1243236"	184.960785	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Br"	78.918885
"1306293"	187.016772	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Cl+HCOOH"	80.974872
"1323787"	208.998729	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Cl+NaCOOH"	102.956829
"911929"	219.027486	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M-H+CF3COOH"	112.985586
"1293744"	255.004164	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Cl+CF3COOH"	148.962264
"1370811"	71.029224	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H-2H2O"	-35.012676
"1390498"	89.0392	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H-H2O"	-17.0027
"296023"	213.091076	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+H"	1.007276
"687709"	319.132976	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+H"	1.007276
"1364428"	107.049176	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H"	1.007276
"138774"	107.049176	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+2H"	2.014552
"577239"	160.070126	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+2H"	2.014552
"1050047"	54.028226	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2H"	2.014552
"216126"	71.701876	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+3H"	3.021828
"650951"	107.049176	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+3H"	3.021828
"1173451"	36.354576	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+3H"	3.021828
"432351"	230.117623	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+NH4"	18.033823
"796992"	336.159523	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+NH4"	18.033823
"1691866"	124.075723	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+NH4"	18.033823
"343793"	115.5624495	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+H+NH4"	19.041099
"727461"	168.5833995	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+H+NH4"	19.041099
"1484195"	62.5414995	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H+NH4"	19.041099
"398504"	235.073018	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+Na"	22.989218
"760591"	341.114918	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+Na"	22.989218
"1609784"	129.031118	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Na"	22.989218
"319821"	118.040147	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+H+Na"	23.996494
"712243"	171.061097	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+H+Na"	23.996494
"1466064"	65.019197	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H+Na"	23.996494
"1060404"	43.68189	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2H+Na"	25.00377
"1263177"	139.075386	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+CH3OH+H"	33.033486
"379566"	251.046958	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+K"	38.963158
"749675"	357.088858	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+K"	38.963158
"1552095"	145.005058	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+K"	38.963158
"308904"	126.027117	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+H+K"	39.970434
"702420"	179.048067	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+H+K"	39.970434
"1449313"	73.006167	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H+K"	39.970434
"243382"	254.117626	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+ACN+H"	42.033826
"1221568"	148.075726	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+ACN+H"	42.033826
"1203265"	74.541501	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+ACN+2H"	43.041102
"197229"	257.05496	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+2Na-H"	44.97116
"641159"	363.09686	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+2Na-H"	44.97116
"1140293"	151.01306	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2Na-H"	44.97116
"178116"	129.031118	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+2Na"	45.978436
"619865"	182.052068	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+2Na"	45.978436
"1123370"	76.010168	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2Na"	45.978436
"1407987"	51.009204	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H+2Na"	46.985712
"1440101"	153.054646	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H+HCOOH"	47.012746
"231257"	134.06414	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+3H2O+2H"	56.04448
"1517859"	167.10669	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+IsoProp+H"	61.06479
"418640"	137.018088	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+Na+K"	61.952376
"780727"	190.039038	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+Na+K"	61.952376
"1671590"	83.997138	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Na+K"	61.952376
"258111"	276.099568	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+ACN+Na"	64.015768
"1229726"	170.057668	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+ACN+Na"	64.015768
"1716420"	170.081193	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+NH4+HCOOH"	64.039293
"1192606"	58.336518	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+3Na"	68.967654
"1662618"	175.036588	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Na+HCOOH"	68.994688
"167293"	289.00284	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+2K-H"	76.91904
"606853"	395.04474	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+2K-H"	76.91904
"1093554"	182.96094	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2K-H"	76.91904
"148182"	145.005058	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"2M+2K"	77.926316
"586650"	198.026008	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"3M+2K"	77.926316
"1070066"	91.984108	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2K"	77.926316
"1102181"	184.975492	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2K+H"	78.933592
"1338567"	185.063107	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+DMSO+H"	79.021207
"1008194"	189.102276	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2ACN+H"	83.060376
"1525951"	190.095908	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+IsoProp+Na+H"	84.054008
"991670"	95.054776	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+2ACN+2H"	84.067652
"1594934"	191.010528	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+K+HCOOH"	84.968628
"1424968"	221.042038	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+H+CF3COOH"	115.000138
"1156352"	115.568051	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+3ACN+2H"	125.094202
"1708088"	238.068585	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+NH4+CF3COOH"	132.026685
"1641550"	243.02398	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+Na+CF3COOH"	136.98208
"1582668"	258.99792	"C00261"	"Benzaldehyde;Benzoic aldehyde"	"C7H6O"	"106.0419"	"M+K+CF3COOH"	152.95602
"809753"	136.0385	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M"	0
"977088"	117.02011	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-H2O-H"	-19.01839
"66058"	89.6850573333333	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M-3H"	-3.021828
"507804"	135.031224	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M-3H"	-3.021828
"886698"	44.3388906666667	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-3H"	-3.021828
"11834"	135.031224	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M-2H"	-2.014552
"445930"	203.050474	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M-2H"	-2.014552
"823731"	67.011974	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-2H"	-2.014552
"87010"	271.069724	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M-H"	-1.007276
"528756"	407.108224	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M-H"	-1.007276
"906561"	135.031224	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-H"	-1.007276
"59839"	288.096271	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M-2H+NH4"	16.019271
"498305"	424.134771	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M-2H+NH4"	16.019271
"873918"	152.057771	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-2H+NH4"	16.019271
"40725"	293.051666	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M-2H+Na"	20.974666
"482471"	429.090166	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M-2H+Na"	20.974666
"855899"	157.013166	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-2H+Na"	20.974666
"1625432"	157.013166	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Na-2H"	20.974666
"96502"	153.019563	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M-H+Cl"	33.962126
"541535"	221.038813	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M-H+Cl"	33.962126
"928851"	85.000313	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-H+Cl"	33.962126
"267769"	307.046402	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+Cl"	34.969402
"664205"	443.084902	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+Cl"	34.969402
"1280621"	171.007902	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Cl"	34.969402
"23177"	309.025606	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M-2H+K"	36.948606
"469300"	445.064106	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M-2H+K"	36.948606
"838353"	172.987106	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-2H+K"	36.948606
"1558559"	172.987106	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+K-2H"	36.948606
"951912"	181.036694	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-H+HCOOH"	44.998194
"369032"	317.075201	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+HCOOH-H"	44.998201
"357292"	331.090851	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+Hac-H"	59.013851
"1499564"	195.052351	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Hac-H"	59.013851
"971481"	203.018651	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-H+NaCOOH"	66.980151
"122576"	171.007902	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+2Cl"	69.938804
"553755"	239.027152	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+2Cl"	69.938804
"1022552"	102.988652	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2Cl"	69.938804
"1242496"	214.957385	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Br"	78.918885
"1307495"	217.013372	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Cl+HCOOH"	80.974872
"1322803"	238.995329	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Cl+NaCOOH"	102.956829
"912404"	249.024086	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M-H+CF3COOH"	112.985586
"1293854"	285.000764	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Cl+CF3COOH"	148.962264
"1371285"	101.025824	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H-2H2O"	-35.012676
"1388417"	119.0358	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H-H2O"	-17.0027
"291387"	273.084276	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+H"	1.007276
"687090"	409.122776	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+H"	1.007276
"1366724"	137.045776	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H"	1.007276
"138154"	137.045776	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+2H"	2.014552
"576985"	205.065026	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+2H"	2.014552
"1049794"	69.026526	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2H"	2.014552
"215508"	91.6996093333333	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+3H"	3.021828
"652155"	137.045776	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+3H"	3.021828
"1171375"	46.3534426666667	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+3H"	3.021828
"433553"	290.110823	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+NH4"	18.033823
"796742"	426.149323	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+NH4"	18.033823
"1691976"	154.072323	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+NH4"	18.033823
"344630"	145.5590495	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+H+NH4"	19.041099
"728299"	213.5782995	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+H+NH4"	19.041099
"1484307"	77.5397995	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H+NH4"	19.041099
"398612"	295.066218	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+Na"	22.989218
"756329"	431.104718	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+Na"	22.989218
"1606614"	159.027718	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Na"	22.989218
"316652"	148.036747	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+H+Na"	23.996494
"710168"	216.055997	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+H+Na"	23.996494
"1466175"	80.017497	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H+Na"	23.996494
"1058326"	53.6807566666667	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2H+Na"	25.00377
"1261098"	169.071986	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+CH3OH+H"	33.033486
"384050"	311.040158	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+K"	38.963158
"747233"	447.078658	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+K"	38.963158
"1552566"	175.001658	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+K"	38.963158
"307554"	156.023717	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+H+K"	39.970434
"698883"	224.042967	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+H+K"	39.970434
"1449422"	88.004467	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H+K"	39.970434
"243492"	314.110826	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+ACN+H"	42.033826
"1220585"	178.072326	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+ACN+H"	42.033826
"1204468"	89.539801	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+ACN+2H"	43.041102
"198432"	317.04816	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+2Na-H"	44.97116
"641269"	453.08666	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+2Na-H"	44.97116
"1139311"	181.00966	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2Na-H"	44.97116
"183693"	159.027718	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+2Na"	45.978436
"621068"	227.046968	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+2Na"	45.978436
"1123481"	91.008468	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2Na"	45.978436
"1407005"	61.0080706666667	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H+2Na"	46.985712
"1438024"	183.051246	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H+HCOOH"	47.012746
"233918"	164.06074	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+3H2O+2H"	56.04448
"1517969"	197.10329	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+IsoProp+H"	61.06479
"418750"	167.014688	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+Na+K"	61.952376
"780837"	235.033938	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+Na+K"	61.952376
"1671700"	98.995438	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Na+K"	61.952376
"259314"	336.092768	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+ACN+Na"	64.015768
"1229836"	200.054268	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+ACN+Na"	64.015768
"1716167"	200.077793	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+NH4+HCOOH"	64.039293
"1191740"	68.3353846666667	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+3Na"	68.967654
"1665037"	205.033188	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Na+HCOOH"	68.994688
"166309"	348.99604	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+2K-H"	76.91904
"604777"	485.03454	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+2K-H"	76.91904
"1098768"	212.95754	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2K-H"	76.91904
"148292"	175.001658	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"2M+2K"	77.926316
"586760"	243.020908	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"3M+2K"	77.926316
"1073091"	106.982408	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2K"	77.926316
"1100585"	214.972092	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2K+H"	78.933592
"1338312"	215.059707	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+DMSO+H"	79.021207
"1009398"	219.098876	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2ACN+H"	83.060376
"1526427"	220.092508	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+IsoProp+Na+H"	84.054008
"992508"	110.053076	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+2ACN+2H"	84.067652
"1598324"	221.007128	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+K+HCOOH"	84.968628
"1426172"	251.038638	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+H+CF3COOH"	115.000138
"1158647"	130.566351	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+3ACN+2H"	125.094202
"1709291"	268.065185	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+NH4+CF3COOH"	132.026685
"1641660"	273.02058	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+Na+CF3COOH"	136.98208
"1582778"	288.99452	"C00262"	"Hypoxanthine;Purine-6-ol"	"C5H4N4O"	"136.0385"	"M+K+CF3COOH"	152.95602
"809863"	119.0582	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M"	0
"977927"	100.03981	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"69448"	78.3648573333333	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"507914"	118.050924	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"887901"	38.6787906666667	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"11944"	118.050924	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"444944"	177.580024	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"821654"	58.521824	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"86025"	237.109124	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"523763"	356.167324	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"905578"	118.050924	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"54482"	254.135671	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"492948"	373.193871	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"871840"	135.077471	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"37554"	259.091066	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"479300"	378.149266	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"853825"	140.032866	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1626634"	140.032866	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"98070"	136.039263	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"544925"	195.568363	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"935157"	76.510163	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"268972"	273.085802	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"663951"	392.144002	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1281825"	154.027602	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"27661"	275.065006	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"467223"	394.123206	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"838463"	156.006806	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1559033"	156.006806	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"949835"	164.056394	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"369142"	283.114601	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"354121"	297.130251	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1500767"	178.072051	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"973777"	186.038351	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"123779"	154.027602	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"555688"	213.556702	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1025214"	94.498502	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1242970"	197.977085	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1307605"	200.033072	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1322549"	222.015029	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"911541"	232.043786	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1295057"	268.020464	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1369572"	84.045524	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1387433"	102.0555	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"288217"	239.123676	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"683920"	358.181876	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1366710"	120.065476	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"136439"	120.065476	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"574543"	179.594576	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1049904"	60.536376	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"217805"	80.3794093333333	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"650078"	120.065476	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1173672"	40.6933426666667	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"430383"	256.150223	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"798673"	375.208423	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1692816"	137.092023	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"344742"	128.5787495	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"729501"	188.1078495	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1482231"	69.0496495	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"398722"	261.105618	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"757532"	380.163818	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1606724"	142.047418	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"315669"	131.056447	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"711372"	190.585547	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1466285"	71.527347	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1059530"	48.0206566666667	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1263395"	152.091686	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"381245"	277.079558	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"750623"	396.137758	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1552676"	158.021358	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"307664"	139.043417	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"700086"	198.572517	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1450626"	79.514317	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"245789"	280.150226	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1220695"	161.092026	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1206765"	81.049651	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"198543"	283.08756	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"641381"	402.14576	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1140514"	164.02936	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"183802"	142.047418	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"621178"	201.576518	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1124683"	82.518318	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1408208"	55.3479706666667	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1440320"	166.070946	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"234028"	147.08044	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1520266"	180.12299	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"421775"	150.034388	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"777667"	209.563488	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1668530"	90.505288	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"256144"	302.132168	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1230310"	183.073968	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1716643"	183.097493	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1191850"	62.6752846666667	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1664781"	188.052888	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"169699"	315.03544	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"605975"	434.09364	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1098514"	195.97724	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"148402"	158.021358	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"589057"	217.550458	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1072473"	98.492258	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1101182"	197.991792	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1338057"	198.079407	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1010601"	202.118576	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1527995"	203.112208	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"991889"	101.562926	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1598434"	204.026828	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1425187"	234.058338	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1156570"	122.076201	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1708308"	251.084885	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1638490"	256.04028	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1582888"	272.01422	"C00263"	"L-Homoserine;2-Amino-4-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"803777"	154.0122	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M"	0
"979131"	134.99381	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-H2O-H"	-19.01839
"69559"	101.667524	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M-3H"	-3.021828
"506932"	153.004924	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M-3H"	-3.021828
"891294"	50.330124	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-3H"	-3.021828
"6588"	153.004924	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M-2H"	-2.014552
"441777"	230.011024	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M-2H"	-2.014552
"830519"	75.998824	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-2H"	-2.014552
"89417"	307.017124	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M-H"	-1.007276
"528979"	461.029324	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M-H"	-1.007276
"904593"	153.004924	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-H"	-1.007276
"60060"	324.043671	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M-2H+NH4"	16.019271
"498526"	478.055871	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M-2H+NH4"	16.019271
"866848"	170.031471	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-2H+NH4"	16.019271
"37299"	328.999066	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M-2H+Na"	20.974666
"475766"	483.011266	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M-2H+Na"	20.974666
"852836"	174.986866	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-2H+Na"	20.974666
"1628945"	174.986866	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Na-2H"	20.974666
"104383"	170.993263	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M-H+Cl"	33.962126
"542848"	247.999363	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M-H+Cl"	33.962126
"931258"	93.987163	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-H+Cl"	33.962126
"282375"	342.993802	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+Cl"	34.969402
"670622"	497.006002	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+Cl"	34.969402
"1279749"	188.981602	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Cl"	34.969402
"21213"	344.973006	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M-2H+K"	36.948606
"465146"	498.985206	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M-2H+K"	36.948606
"841854"	190.960806	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-2H+K"	36.948606
"1567166"	190.960806	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+K-2H"	36.948606
"951767"	199.010394	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-H+HCOOH"	44.998194
"370348"	353.022601	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+HCOOH-H"	44.998201
"352773"	367.038251	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+Hac-H"	59.013851
"1497236"	213.026051	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Hac-H"	59.013851
"962224"	220.992351	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-H+NaCOOH"	66.980151
"118427"	188.981602	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+2Cl"	69.938804
"552881"	265.987702	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+2Cl"	69.938804
"1027513"	111.975502	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2Cl"	69.938804
"1246361"	232.931085	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Br"	78.918885
"1310267"	234.987072	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Cl+HCOOH"	80.974872
"1321324"	256.969029	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Cl+NaCOOH"	102.956829
"920649"	266.997786	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M-H+CF3COOH"	112.985586
"1296263"	302.974464	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Cl+CF3COOH"	148.962264
"1368954"	118.999524	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H-2H2O"	-35.012676
"1398290"	137.0095	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H-H2O"	-17.0027
"298215"	309.031676	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+H"	1.007276
"689499"	463.043876	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+H"	1.007276
"1360745"	155.019476	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H"	1.007276
"133268"	155.019476	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+2H"	2.014552
"573922"	232.025576	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+2H"	2.014552
"1049647"	78.013376	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2H"	2.014552
"215732"	103.682076	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+3H"	3.021828
"658576"	155.019476	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+3H"	3.021828
"1175607"	52.344676	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+3H"	3.021828
"433778"	326.058223	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+NH4"	18.033823
"796960"	480.070423	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+NH4"	18.033823
"1688917"	172.046023	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+NH4"	18.033823
"337191"	163.5327495	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+H+NH4"	19.041099
"729613"	240.5388495	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+H+NH4"	19.041099
"1479790"	86.5266495	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H+NH4"	19.041099
"397739"	331.013618	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+Na"	22.989218
"755333"	485.025818	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+Na"	22.989218
"1606838"	177.001418	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Na"	22.989218
"319056"	166.010447	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+H+Na"	23.996494
"711478"	243.016547	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+H+Na"	23.996494
"1465300"	89.004347	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H+Na"	23.996494
"1056361"	59.67199	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2H+Na"	25.00377
"1261319"	187.045686	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+CH3OH+H"	33.033486
"385363"	346.987558	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+K"	38.963158
"747455"	500.999758	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+K"	38.963158
"1547319"	192.975358	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+K"	38.963158
"306680"	173.997417	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+H+K"	39.970434
"702386"	251.003517	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+H+K"	39.970434
"1457301"	96.991317	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H+K"	39.970434
"247004"	350.058226	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+ACN+H"	42.033826
"1220806"	196.046026	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+ACN+H"	42.033826
"1206510"	98.526651	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+ACN+2H"	43.041102
"201929"	352.99556	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+2Na-H"	44.97116
"634931"	507.00776	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+2Na-H"	44.97116
"1138435"	198.98336	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2Na-H"	44.97116
"182822"	177.001418	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+2Na"	45.978436
"621288"	254.007518	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+2Na"	45.978436
"1119326"	99.995318	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2Na"	45.978436
"1407222"	66.999304	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H+2Na"	46.985712
"1442619"	201.024946	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H+HCOOH"	47.012746
"230128"	182.03444	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+3H2O+2H"	56.04448
"1516003"	215.07699	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+IsoProp+H"	61.06479
"418605"	184.988388	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+Na+K"	61.952376
"773403"	261.994488	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+Na+K"	61.952376
"1675202"	107.982288	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Na+K"	61.952376
"252001"	372.040168	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+ACN+Na"	64.015768
"1227498"	218.027968	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+ACN+Na"	64.015768
"1728151"	218.051493	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+NH4+HCOOH"	64.039293
"1193057"	74.326618	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+3Na"	68.967654
"1665526"	223.006888	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Na+HCOOH"	68.994688
"165433"	384.94344	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+2K-H"	76.91904
"610466"	538.95564	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+2K-H"	76.91904
"1094978"	230.93124	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2K-H"	76.91904
"146327"	192.975358	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"2M+2K"	77.926316
"589168"	269.981458	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"3M+2K"	77.926316
"1071856"	115.969258	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2K"	77.926316
"1104703"	232.945792	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2K+H"	78.933592
"1338538"	233.033407	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+DMSO+H"	79.021207
"1008526"	237.072576	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2ACN+H"	83.060376
"1528835"	238.066208	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+IsoProp+Na+H"	84.054008
"999669"	119.039926	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+2ACN+2H"	84.067652
"1591984"	238.980828	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+K+HCOOH"	84.968628
"1427487"	269.012338	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+H+CF3COOH"	115.000138
"1157776"	139.553201	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+3ACN+2H"	125.094202
"1710604"	286.038885	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+NH4+CF3COOH"	132.026685
"1641881"	290.99428	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+Na+CF3COOH"	136.98208
"1573158"	306.96822	"C00265"	"Dithiothreitol;14-Dithiothreitol;threo-14-Dimercapto-23-butanediol;DL-threo-14-Dimercapto-23-butanediol"	"C4H10O2S2"	"154.0122"	"M+K+CF3COOH"	152.95602
"803523"	60.0211	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M"	0
"978148"	41.00271	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-H2O-H"	-19.01839
"66389"	39.0067906666667	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M-3H"	-3.021828
"507041"	59.013824	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M-3H"	-3.021828
"887031"	18.9997573333333	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-3H"	-3.021828
"9978"	59.013824	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M-2H"	-2.014552
"442980"	89.024374	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M-2H"	-2.014552
"825162"	29.003274	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-2H"	-2.014552
"87339"	119.034924	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M-H"	-1.007276
"526902"	179.056024	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M-H"	-1.007276
"902516"	59.013824	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-H"	-1.007276
"56890"	136.061471	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M-2H+NH4"	16.019271
"496449"	196.082571	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M-2H+NH4"	16.019271
"866595"	76.040371	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-2H+NH4"	16.019271
"35952"	141.016866	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M-2H+Na"	20.974666
"475149"	201.037966	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M-2H+Na"	20.974666
"855133"	80.995766	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-2H+Na"	20.974666
"1622846"	80.995766	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Na-2H"	20.974666
"101197"	77.002163	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M-H+Cl"	33.962126
"537841"	107.012713	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M-H+Cl"	33.962126
"929545"	46.991613	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-H+Cl"	33.962126
"280499"	155.011602	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+Cl"	34.969402
"670732"	215.032702	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+Cl"	34.969402
"1277671"	94.990502	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Cl"	34.969402
"23509"	156.990806	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M-2H+K"	36.948606
"459788"	217.011906	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M-2H+K"	36.948606
"838684"	96.969706	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-2H+K"	36.948606
"1565452"	96.969706	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+K-2H"	36.948606
"947867"	105.019294	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-H+HCOOH"	44.998194
"370458"	165.040401	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+HCOOH-H"	44.998201
"352155"	179.056051	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+Hac-H"	59.013851
"1497710"	119.034951	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Hac-H"	59.013851
"961970"	127.001251	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-H+NaCOOH"	66.980151
"115257"	94.990502	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+2Cl"	69.938804
"553720"	125.001052	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+2Cl"	69.938804
"1025800"	64.979952	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2Cl"	69.938804
"1242459"	138.939985	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Br"	78.918885
"1309285"	140.995972	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Cl+HCOOH"	80.974872
"1320461"	162.977929	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Cl+NaCOOH"	102.956829
"921852"	173.006686	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M-H+CF3COOH"	112.985586
"1297466"	208.983364	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Cl+CF3COOH"	148.962264
"1369428"	25.008424	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H-2H2O"	-35.012676
"1398112"	43.0184	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H-H2O"	-17.0027
"291718"	121.049476	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+H"	1.007276
"685231"	181.070576	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+H"	1.007276
"1360490"	61.028376	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H"	1.007276
"130099"	61.028376	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+2H"	2.014552
"575491"	91.038926	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+2H"	2.014552
"1049758"	31.017826	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2H"	2.014552
"212927"	41.0213426666667	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+3H"	3.021828
"659051"	61.028376	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+3H"	3.021828
"1176081"	21.0143093333333	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+3H"	3.021828
"433888"	138.076023	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+NH4"	18.033823
"797070"	198.097123	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+NH4"	18.033823
"1689027"	78.054923	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+NH4"	18.033823
"336209"	69.5416495	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+H+NH4"	19.041099
"728631"	99.5521995	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+H+NH4"	19.041099
"1480265"	39.5310995	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H+NH4"	19.041099
"397849"	143.031418	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+Na"	22.989218
"754429"	203.052518	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+Na"	22.989218
"1606948"	83.010318	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Na"	22.989218
"316981"	72.019347	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+H+Na"	23.996494
"712681"	102.029897	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+H+Na"	23.996494
"1463344"	42.008797	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H+Na"	23.996494
"1054406"	28.3416233333333	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2H+Na"	25.00377
"1263616"	93.054586	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+CH3OH+H"	33.033486
"380005"	159.005358	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+K"	38.963158
"747565"	219.026458	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+K"	38.963158
"1548521"	98.984258	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+K"	38.963158
"305697"	80.006317	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+H+K"	39.970434
"703225"	110.016867	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+H+K"	39.970434
"1455222"	49.995767	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H+K"	39.970434
"247114"	162.076026	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+ACN+H"	42.033826
"1222376"	102.054926	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+ACN+H"	42.033826
"1206621"	51.531101	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+ACN+2H"	43.041102
"202039"	165.01336	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+2Na-H"	44.97116
"638321"	225.03446	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+2Na-H"	44.97116
"1140732"	104.99226	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2Na-H"	44.97116
"180745"	83.010318	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+2Na"	45.978436
"620304"	113.020868	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+2Na"	45.978436
"1118343"	52.999768	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2Na"	45.978436
"1405146"	35.6689373333333	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H+2Na"	46.985712
"1439449"	107.033846	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H+HCOOH"	47.012746
"231331"	88.04334	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+3H2O+2H"	56.04448
"1517206"	121.08589	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+IsoProp+H"	61.06479
"418715"	90.997288	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+Na+K"	61.952376
"772420"	121.007838	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+Na+K"	61.952376
"1674948"	60.986738	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Na+K"	61.952376
"252111"	184.057968	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+ACN+Na"	64.015768
"1228337"	124.036868	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+ACN+Na"	64.015768
"1728368"	124.060393	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+NH4+HCOOH"	64.039293
"1193163"	42.9962513333333	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+3Na"	68.967654
"1659771"	129.015788	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Na+HCOOH"	68.994688
"164447"	196.96124	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+2K-H"	76.91904
"605101"	256.98234	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+2K-H"	76.91904
"1093993"	136.94014	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2K-H"	76.91904
"144251"	98.984258	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"2M+2K"	77.926316
"590371"	128.994808	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"3M+2K"	77.926316
"1073059"	68.973708	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2K"	77.926316
"1104813"	138.954692	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2K+H"	78.933592
"1339013"	139.042307	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+DMSO+H"	79.021207
"1008635"	143.081476	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2ACN+H"	83.060376
"1527122"	144.075108	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+IsoProp+Na+H"	84.054008
"999779"	72.044376	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+2ACN+2H"	84.067652
"1595374"	144.989728	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+K+HCOOH"	84.968628
"1426503"	175.021238	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+H+CF3COOH"	115.000138
"1160073"	92.557651	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+3ACN+2H"	125.094202
"1710714"	192.047785	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+NH4+CF3COOH"	132.026685
"1641991"	197.00318	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+Na+CF3COOH"	136.98208
"1573268"	212.97712	"C00266"	"Glycolaldehyde;Hydroxyacetaldehyde"	"C2H4O2"	"60.0211"	"M+K+CF3COOH"	152.95602
"804726"	180.0634	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M"	0
"981538"	161.04501	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"68685"	119.034990666667	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"510432"	179.056124	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"893704"	59.0138573333333	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"10088"	179.056124	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"448557"	269.087824	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"821992"	89.024424	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"83076"	359.119524	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"529199"	539.182924	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"901533"	179.056124	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"57000"	376.146071	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"494373"	556.209471	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"868894"	196.082671	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"36064"	381.101466	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"474895"	561.164866	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"855243"	201.038066	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1624777"	201.038066	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"99121"	197.044463	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"537586"	287.076163	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"933301"	107.012763	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"277328"	395.096202	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"667562"	575.159602	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1277781"	215.032802	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"23619"	397.075406	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"462085"	577.138806	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"839887"	217.012006	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1562282"	217.012006	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"947977"	225.061594	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"369475"	405.125001	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"355545"	419.140651	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1496723"	239.077251	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"960620"	247.043551	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"112080"	215.032802	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"552008"	305.064502	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1023721"	125.001102	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1242205"	258.982285	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1304407"	261.038272	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1321423"	283.020229	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"918682"	293.048986	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1298670"	329.025664	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1369174"	145.050724	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1397859"	163.0607	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"291828"	361.134076	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"685341"	541.197476	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1357317"	181.070676	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"135676"	181.070676	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"576329"	271.102376	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1049867"	91.038976	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"215952"	121.049542666667	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"658795"	181.070676	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1177284"	61.0284093333333	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"435090"	378.160623	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"793899"	558.224023	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1689138"	198.097223	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"335226"	189.5839495	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"726555"	279.6156495	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1480375"	99.5522495	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"396866"	383.116018	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"755432"	563.179418	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1604872"	203.052618	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"318184"	192.061647	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"712790"	282.093347	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1463335"	102.029947	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1054395"	68.3557233333333	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1263727"	213.096886	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"380115"	399.089958	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"746581"	579.153358	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1547537"	219.026558	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"304714"	200.048617	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"703335"	290.080317	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1458248"	110.016917	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"243941"	402.160626	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1222483"	222.097226	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1206366"	111.552251	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"198869"	405.09796	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"638431"	585.16136	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1140842"	225.03456	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"178668"	203.052618	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"616040"	293.084318	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1118453"	113.020918	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1403068"	75.6830373333333	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1439559"	227.076146	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231077"	208.08564	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1517316"	241.12819	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415909"	211.039588	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"772530"	301.071288	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1672142"	121.007888	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"252464"	424.142568	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1230998"	244.079168	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1728247"	244.102693	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1192910"	83.0103513333333	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1658793"	249.058088	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"164558"	437.04584	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"606303"	617.10924	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1094103"	256.98244	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"144361"	219.026558	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"592668"	309.058258	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1072805"	128.994858	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1106017"	258.996992	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1340217"	259.084607	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1007652"	263.123776	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1527962"	264.117408	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"999889"	132.065526	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1595484"	265.032028	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1425520"	295.063538	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1160182"	152.578801	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1709731"	312.090085	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1642101"	317.04548	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1574471"	333.01942	"C00267"	"alpha-D-Glucose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"803743"	239.1018	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M"	0
"980555"	220.08341	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-H2O-H"	-19.01839
"73169"	158.393924	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M-3H"	-3.021828
"513822"	238.094524	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M-3H"	-3.021828
"893085"	78.693324	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-3H"	-3.021828
"10199"	238.094524	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M-2H"	-2.014552
"448667"	357.645424	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M-2H"	-2.014552
"824289"	118.543624	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-2H"	-2.014552
"82093"	477.196324	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M-H"	-1.007276
"528216"	716.298124	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M-H"	-1.007276
"904923"	238.094524	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-H"	-1.007276
"57111"	494.222871	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M-2H+NH4"	16.019271
"497764"	733.324671	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M-2H+NH4"	16.019271
"870098"	255.121071	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-2H+NH4"	16.019271
"36904"	499.178266	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M-2H+Na"	20.974666
"477920"	738.280066	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M-2H+Na"	20.974666
"855356"	260.076466	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-2H+Na"	20.974666
"1623798"	260.076466	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Na-2H"	20.974666
"99233"	256.082863	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M-H+Cl"	33.962126
"538063"	375.633763	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M-H+Cl"	33.962126
"933411"	136.531963	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-H+Cl"	33.962126
"274158"	513.173002	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+Cl"	34.969402
"661112"	752.274802	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+Cl"	34.969402
"1274975"	274.071202	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Cl"	34.969402
"27010"	515.152206	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M-2H+K"	36.948606
"462195"	754.254006	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M-2H+K"	36.948606
"842184"	276.050406	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-2H+K"	36.948606
"1564580"	276.050406	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+K-2H"	36.948606
"949181"	284.099994	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-H+HCOOH"	44.998194
"365577"	523.201801	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+HCOOH-H"	44.998201
"350188"	537.217451	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+Hac-H"	59.013851
"1493430"	298.115651	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Hac-H"	59.013851
"960731"	306.081951	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-H+NaCOOH"	66.980151
"110527"	274.071202	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+2Cl"	69.938804
"553939"	393.622102	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+2Cl"	69.938804
"1021765"	154.520302	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2Cl"	69.938804
"1241951"	318.020685	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Br"	78.918885
"1305858"	320.076672	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Cl+HCOOH"	80.974872
"1321895"	342.058629	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Cl+NaCOOH"	102.956829
"913686"	352.087386	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M-H+CF3COOH"	112.985586
"1289294"	388.064064	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Cl+CF3COOH"	148.962264
"1367703"	204.089124	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H-2H2O"	-35.012676
"1393711"	222.0991	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H-H2O"	-17.0027
"294127"	479.210876	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+H"	1.007276
"679985"	718.312676	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+H"	1.007276
"1358522"	240.109076	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H"	1.007276
"133600"	240.109076	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+2H"	2.014552
"574253"	359.659976	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+2H"	2.014552
"1046698"	120.558176	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2H"	2.014552
"215334"	160.408476	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+3H"	3.021828
"657812"	240.109076	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+3H"	3.021828
"1175209"	80.707876	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+3H"	3.021828
"433013"	496.237423	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+NH4"	18.033823
"792917"	735.339223	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+NH4"	18.033823
"1688151"	257.135623	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+NH4"	18.033823
"336431"	248.6223495	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+H+NH4"	19.041099
"726663"	368.1732495	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+H+NH4"	19.041099
"1479391"	129.0714495	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H+NH4"	19.041099
"396976"	501.192818	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+Na"	22.989218
"756877"	740.294618	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+Na"	22.989218
"1605346"	262.091018	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Na"	22.989218
"315744"	251.100047	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+H+Na"	23.996494
"710716"	370.650947	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+H+Na"	23.996494
"1463809"	131.549147	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H+Na"	23.996494
"1058879"	88.03519	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2H+Na"	25.00377
"1263838"	272.135286	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+CH3OH+H"	33.033486
"384599"	517.166758	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+K"	38.963158
"746691"	756.268558	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+K"	38.963158
"1547648"	278.064958	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+K"	38.963158
"307012"	259.087017	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+H+K"	39.970434
"704904"	378.637917	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+H+K"	39.970434
"1457265"	139.536117	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H+K"	39.970434
"240773"	520.237426	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+H"	42.033826
"1218948"	281.135626	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+ACN+H"	42.033826
"1202831"	141.071451	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+ACN+2H"	43.041102
"201167"	523.17476	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+2Na-H"	44.97116
"636354"	762.27656	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+2Na-H"	44.97116
"1138765"	284.07296	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2Na-H"	44.97116
"174403"	262.091018	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+2Na"	45.978436
"619065"	381.641918	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+2Na"	45.978436
"1118562"	142.540118	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2Na"	45.978436
"1405366"	95.362504	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H+2Na"	46.985712
"1439670"	286.114546	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H+HCOOH"	47.012746
"228272"	267.12404	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+3H2O+2H"	56.04448
"1519249"	300.16659	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+H"	61.06479
"416019"	270.077988	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+Na+K"	61.952376
"775920"	389.628888	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+Na+K"	61.952376
"1671156"	150.527088	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Na+K"	61.952376
"255488"	542.219368	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+Na"	64.015768
"1232567"	303.117568	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+ACN+Na"	64.015768
"1727546"	303.141093	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+NH4+HCOOH"	64.039293
"1192654"	102.689818	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+3Na"	68.967654
"1662184"	308.096488	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Na+HCOOH"	68.994688
"166854"	555.12264	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+2K-H"	76.91904
"604228"	794.22444	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+2K-H"	76.91904
"1092026"	316.02084	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2K-H"	76.91904
"144471"	278.064958	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"2M+2K"	77.926316
"590591"	397.615858	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"3M+2K"	77.926316
"1072915"	158.514058	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2K"	77.926316
"1103940"	318.035392	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2K+H"	78.933592
"1341420"	318.123007	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+DMSO+H"	79.021207
"1007762"	322.162176	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+H"	83.060376
"1528071"	323.155808	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+Na+H"	84.054008
"997812"	161.584726	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+2H"	84.067652
"1597781"	324.070428	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+K+HCOOH"	84.968628
"1426720"	354.101938	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+H+CF3COOH"	115.000138
"1157008"	182.098001	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+3ACN+2H"	125.094202
"1702185"	371.128485	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+NH4+CF3COOH"	132.026685
"1642211"	376.08388	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+Na+CF3COOH"	136.98208
"1573488"	392.05782	"C00268"	"Dihydrobiopterin;67-Dihydrobiopterin;Quinoid-dihydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-78-dihydro-6H-pterin"	"C9H13N5O3"	"239.1018"	"M+K+CF3COOH"	152.95602
"807135"	309.106	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M"	0
"975563"	290.08761	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-H2O-H"	-19.01839
"66721"	205.063390666667	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M-3H"	-3.021828
"509561"	308.098724	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M-3H"	-3.021828
"885175"	102.028057333333	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-3H"	-3.021828
"2659"	308.098724	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H"	-2.014552
"444411"	462.651724	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H"	-2.014552
"820024"	153.545724	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H"	-2.014552
"85486"	617.204724	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M-H"	-1.007276
"528326"	926.310724	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M-H"	-1.007276
"902848"	308.098724	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-H"	-1.007276
"51755"	634.231271	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+NH4"	16.019271
"497875"	943.337271	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+NH4"	16.019271
"870208"	325.125271	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+NH4"	16.019271
"35922"	639.186666	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+Na"	20.974666
"475115"	948.292666	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+Na"	20.974666
"854737"	330.080666	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+Na"	20.974666
"1624998"	330.080666	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na-2H"	20.974666
"98247"	326.087063	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M-H+Cl"	33.962126
"543289"	480.640063	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M-H+Cl"	33.962126
"929152"	171.534063	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+Cl"	33.962126
"270989"	653.181402	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Cl"	34.969402
"665600"	962.287402	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Cl"	34.969402
"1276911"	344.075402	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl"	34.969402
"21653"	655.160606	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+K"	36.948606
"457445"	964.266606	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+K"	36.948606
"841568"	346.054606	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+K"	36.948606
"1563597"	346.054606	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+K-2H"	36.948606
"950753"	354.104194	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+HCOOH"	44.998194
"364958"	663.210201	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+HCOOH-H"	44.998201
"349206"	677.225851	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Hac-H"	59.013851
"1494394"	368.119851	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Hac-H"	59.013851
"959139"	376.086151	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+NaCOOH"	66.980151
"111937"	344.075402	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Cl"	69.938804
"552957"	498.628402	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Cl"	69.938804
"1023579"	189.522402	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Cl"	69.938804
"1241572"	388.024885	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Br"	78.918885
"1304752"	390.080872	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+HCOOH"	80.974872
"1327843"	412.062829	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+NaCOOH"	102.956829
"915255"	422.091586	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+CF3COOH"	112.985586
"1298527"	458.068264	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+CF3COOH"	148.962264
"1379971"	274.093324	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H-2H2O"	-35.012676
"1396739"	292.1033	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H-H2O"	-17.0027
"294237"	619.219276	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H"	1.007276
"679005"	928.325276	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H"	1.007276
"1361549"	310.113276	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H"	1.007276
"133709"	310.113276	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2H"	2.014552
"573633"	464.666276	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2H"	2.014552
"1047542"	155.560276	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2H"	2.014552
"216537"	207.077942666667	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+3H"	3.021828
"656827"	310.113276	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+3H"	3.021828
"1174224"	104.042609333333	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+3H"	3.021828
"430934"	636.245823	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+NH4"	18.033823
"793025"	945.351823	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+NH4"	18.033823
"1686075"	327.139823	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4"	18.033823
"331313"	318.6265495	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+NH4"	19.041099
"723976"	473.1795495	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+NH4"	19.041099
"1479499"	164.0735495	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+NH4"	19.041099
"396358"	641.201218	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Na"	22.989218
"756258"	950.307218	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Na"	22.989218
"1604478"	332.095218	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na"	22.989218
"318407"	321.104247	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+Na"	23.996494
"710826"	475.657247	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+Na"	23.996494
"1462825"	166.551247	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+Na"	23.996494
"1053885"	111.369923333333	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2H+Na"	25.00377
"1260668"	342.139486	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+CH3OH+H"	33.033486
"381429"	657.175158	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+K"	38.963158
"744614"	966.281158	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+K"	38.963158
"1554322"	348.069158	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+K"	38.963158
"309314"	329.091217	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+K"	39.970434
"701734"	483.644217	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+K"	39.970434
"1451188"	174.538217	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+K"	39.970434
"239789"	660.245826	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+ACN+H"	42.033826
"1212497"	351.139826	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+H"	42.033826
"1202941"	176.073551	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+2H"	43.041102
"192531"	663.18316	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Na-H"	44.97116
"634278"	972.28916	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Na-H"	44.97116
"1138878"	354.07716	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Na-H"	44.97116
"177794"	332.095218	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Na"	45.978436
"616261"	486.648218	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Na"	45.978436
"1120859"	177.542218	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Na"	45.978436
"1401101"	118.697237333333	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+2Na"	46.985712
"1432488"	356.118746	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+HCOOH"	47.012746
"227286"	337.12824	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+3H2O+2H"	56.04448
"1517536"	370.17079	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+IsoProp+H"	61.06479
"417223"	340.082188	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Na+K"	61.952376
"776031"	494.635188	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Na+K"	61.952376
"1667621"	185.529188	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+K"	61.952376
"256689"	682.227768	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+ACN+Na"	64.015768
"1240917"	373.121768	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+Na"	64.015768
"1727046"	373.145293	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4+HCOOH"	64.039293
"1189847"	126.024551333333	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+3Na"	68.967654
"1662293"	378.100688	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+HCOOH"	68.994688
"162593"	695.13104	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2K-H"	76.91904
"604344"	1004.23704	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2K-H"	76.91904
"1091045"	386.02504	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K-H"	76.91904
"151142"	348.069158	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2K"	77.926316
"587422"	502.622158	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2K"	77.926316
"1081777"	193.516158	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K"	77.926316
"1107334"	388.039592	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K+H"	78.933592
"1342625"	388.127207	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+DMSO+H"	79.021207
"1008967"	392.166376	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2ACN+H"	83.060376
"1530383"	393.160008	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+IsoProp+Na+H"	84.054008
"995735"	196.586826	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+2ACN+2H"	84.067652
"1594613"	394.074628	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+K+HCOOH"	84.968628
"1423552"	424.106138	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+CF3COOH"	115.000138
"1160400"	217.100101	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+3ACN+2H"	125.094202
"1709953"	441.132685	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4+CF3COOH"	132.026685
"1647426"	446.08808	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+CF3COOH"	136.98208
"1583440"	462.06202	"C00270"	"N-Acetylneuraminate;N-Acetylneuraminic acid;5-Acetamido-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;Neu5Ac"	"C11H19NO9"	"309.106"	"M+K+CF3COOH"	152.95602
"807245"	241.1175	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M"	0
"975551"	222.09911	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H2O-H"	-19.01839
"67924"	159.737724	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-3H"	-3.021828
"512951"	240.110224	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-3H"	-3.021828
"889659"	79.365224	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-3H"	-3.021828
"4955"	240.110224	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H"	-2.014552
"447801"	360.668974	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H"	-2.014552
"820134"	119.551474	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H"	-2.014552
"82316"	481.227724	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-H"	-1.007276
"527343"	722.345224	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-H"	-1.007276
"901865"	240.110224	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H"	-1.007276
"50772"	498.254271	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H+NH4"	16.019271
"495798"	739.371771	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H+NH4"	16.019271
"869225"	257.136771	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H+NH4"	16.019271
"36032"	503.209666	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H+Na"	20.974666
"477411"	744.327166	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H+Na"	20.974666
"855575"	262.092166	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H+Na"	20.974666
"1624014"	262.092166	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na-2H"	20.974666
"98357"	258.098563	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-H+Cl"	33.962126
"544492"	378.657313	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-H+Cl"	33.962126
"928166"	137.539813	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+Cl"	33.962126
"271098"	517.204402	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Cl"	34.969402
"661212"	758.321902	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+Cl"	34.969402
"1277021"	276.086902	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl"	34.969402
"19576"	519.183606	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H+K"	36.948606
"456462"	760.301106	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H+K"	36.948606
"841678"	278.066106	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H+K"	36.948606
"1560427"	278.066106	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K-2H"	36.948606
"946853"	286.115694	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+HCOOH"	44.998194
"362515"	527.233201	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+HCOOH-H"	44.998201
"347129"	541.248851	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Hac-H"	59.013851
"1492794"	300.131351	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Hac-H"	59.013851
"958626"	308.097651	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+NaCOOH"	66.980151
"111317"	276.086902	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2Cl"	69.938804
"551973"	396.645652	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2Cl"	69.938804
"1022229"	155.528152	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2Cl"	69.938804
"1242535"	320.036385	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Br"	78.918885
"1304616"	322.092372	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl+HCOOH"	80.974872
"1325037"	344.074329	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl+NaCOOH"	102.956829
"911591"	354.103086	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+CF3COOH"	112.985586
"1289155"	390.079764	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl+CF3COOH"	148.962264
"1379717"	206.104824	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H-2H2O"	-35.012676
"1391381"	224.1148	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H-H2O"	-17.0027
"289972"	483.242276	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H"	1.007276
"681301"	724.359776	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H"	1.007276
"1361295"	242.124776	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H"	1.007276
"132726"	242.124776	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2H"	2.014552
"574107"	362.683526	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2H"	2.014552
"1048747"	121.566026	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2H"	2.014552
"218836"	161.752276	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+3H"	3.021828
"655114"	242.124776	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+3H"	3.021828
"1174334"	81.379776	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+3H"	3.021828
"433232"	500.268823	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+NH4"	18.033823
"795323"	741.386323	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+NH4"	18.033823
"1682904"	259.151323	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+NH4"	18.033823
"333733"	250.6380495	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H+NH4"	19.041099
"723481"	371.1967995	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H+NH4"	19.041099
"1479610"	130.0792995	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+NH4"	19.041099
"394647"	505.224218	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Na"	22.989218
"756370"	746.341718	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+Na"	22.989218
"1604224"	264.106718	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na"	22.989218
"317785"	253.115747	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H+Na"	23.996494
"711301"	373.674497	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H+Na"	23.996494
"1465123"	132.556997	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+Na"	23.996494
"1055452"	88.70709	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2H+Na"	25.00377
"1262963"	274.150986	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+CH3OH+H"	33.033486
"382632"	521.198158	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+K"	38.963158
"745819"	762.315658	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+K"	38.963158
"1553340"	280.080658	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K"	38.963158
"308331"	261.102717	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H+K"	39.970434
"702938"	381.661467	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H+K"	39.970434
"1452391"	140.543967	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+K"	39.970434
"237712"	524.268826	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+ACN+H"	42.033826
"1215888"	283.151326	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+ACN+H"	42.033826
"1204875"	142.079301	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+ACN+2H"	43.041102
"195922"	527.20616	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2Na-H"	44.97116
"637669"	768.32366	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2Na-H"	44.97116
"1138988"	286.08866	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2Na-H"	44.97116
"177904"	264.106718	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2Na"	45.978436
"617464"	384.665468	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2Na"	45.978436
"1120969"	143.547968	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2Na"	45.978436
"1401577"	96.034404	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+2Na"	46.985712
"1433693"	288.130246	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+HCOOH"	47.012746
"225210"	269.13974	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+3H2O+2H"	56.04448
"1518740"	302.18229	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+IsoProp+H"	61.06479
"417333"	272.093688	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Na+K"	61.952376
"776141"	392.652438	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+Na+K"	61.952376
"1670284"	151.534938	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na+K"	61.952376
"258986"	546.250768	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+ACN+Na"	64.015768
"1240582"	305.133268	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+ACN+Na"	64.015768
"1727279"	305.156793	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+NH4+HCOOH"	64.039293
"1189959"	103.361718	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+3Na"	68.967654
"1662403"	310.112188	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na+HCOOH"	68.994688
"167077"	559.15404	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2K-H"	76.91904
"607735"	800.27154	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2K-H"	76.91904
"1091156"	318.03654	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2K-H"	76.91904
"145785"	280.080658	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2K"	77.926316
"587532"	400.639408	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2K"	77.926316
"1079700"	159.521908	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2K"	77.926316
"1101246"	320.051092	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2K+H"	78.933592
"1341641"	320.138707	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+DMSO+H"	79.021207
"1010170"	324.177876	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2ACN+H"	83.060376
"1532678"	325.171508	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+IsoProp+Na+H"	84.054008
"1000218"	162.592576	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2ACN+2H"	84.067652
"1594722"	326.086128	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K+HCOOH"	84.968628
"1423662"	356.117638	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+CF3COOH"	115.000138
"1160510"	183.105851	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+3ACN+2H"	125.094202
"1708969"	373.144185	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+NH4+CF3COOH"	132.026685
"1639152"	378.09958	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na+CF3COOH"	136.98208
"1583550"	394.07352	"C00272"	"Tetrahydrobiopterin;5678-Tetrahydrobiopterin;2-Amino-6-(12-dihydroxypropyl)-5678-tetrahydoro-4(1H)-pteridinone;L-erythro-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K+CF3COOH"	152.95602
"810635"	178.0477	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M"	0
"978699"	159.02931	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"71314"	117.691190666667	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"515248"	177.040424	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"888676"	58.3419573333333	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"3971"	177.040424	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"443537"	266.064274	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"823524"	88.016574	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"84614"	355.088124	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"523080"	533.135824	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"899790"	177.040424	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51977"	372.114671	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"491535"	550.162371	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"872617"	194.066971	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"37237"	377.070066	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"473877"	555.117766	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"853865"	199.022366	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1620849"	199.022366	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"97374"	195.028763	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"544602"	284.052613	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"927912"	106.004913	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"271208"	391.064802	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"662539"	569.112502	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1277131"	213.017102	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"19686"	393.044006	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"456451"	571.091706	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"840330"	214.996306	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1562724"	214.996306	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"948422"	223.045894	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"365179"	401.093601	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"346508"	415.109251	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1492991"	237.061551	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"960696"	245.027851	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"111062"	213.017102	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"550501"	302.040952	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1022338"	123.993252	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1241708"	256.966585	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1305092"	259.022572	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1324783"	281.004529	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"912188"	291.033286	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1289266"	327.009964	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1379827"	143.035024	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1391491"	161.045	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"291178"	357.102676	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"682141"	535.150376	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1358126"	179.054976	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"130649"	179.054976	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"575677"	268.078826	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1051776"	90.031126	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"216395"	119.705742666667	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"656321"	179.054976	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1170073"	60.3565093333333	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"434437"	374.129223	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"794341"	552.176923	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1686297"	196.081523	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"333846"	187.5682495	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"725540"	276.5920995	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1480089"	98.5443995	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"395489"	379.084618	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"755755"	557.132318	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1603040"	201.036918	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"315712"	190.045947	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"709226"	279.069797	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1465234"	101.022097	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1059938"	67.6838233333333	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1263072"	211.081186	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"387846"	395.058558	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"745926"	573.106258	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1547982"	217.010858	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"307343"	198.032917	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"695390"	287.056767	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1454687"	109.009067	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"245475"	398.129226	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1217091"	220.081526	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1204985"	110.544401	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"198220"	401.06656	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"638872"	579.11426	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1138005"	223.01886	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"178014"	201.036918	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"618668"	290.060768	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1123267"	112.013068	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1400472"	75.0111373333333	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1433439"	225.060446	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"227507"	206.06994	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1520309"	239.11249	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"420360"	209.023888	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"782449"	298.047738	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1671488"	120.000038	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"256911"	420.111168	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1240083"	242.063468	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1728323"	242.086993	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1192256"	82.3384513333333	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1662513"	247.042388	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"168280"	433.01444	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"610033"	611.06214	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1091265"	254.96674	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"154643"	217.010858	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"596026"	306.034708	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1076529"	127.987008	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1101477"	256.981292	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1343938"	257.068907	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1011374"	261.108076	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1533875"	262.101708	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1004335"	131.057676	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1600300"	263.016328	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1428147"	293.047838	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1160620"	151.570951	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1705795"	310.074385	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1640355"	315.02978	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1583660"	331.00372	"C00273"	"5-Dehydro-D-fructose"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"807465"	260.0297	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"974597"	241.01131	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"70332"	172.345857333333	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"508798"	259.022424	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"882225"	85.6692906666667	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"312"	259.022424	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"445833"	389.037274	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"817312"	129.007574	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"78806"	519.052124	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"518542"	779.081824	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"897712"	259.022424	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"47384"	536.078671	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"487510"	796.108371	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"865796"	276.048971	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"31998"	541.034066	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"471842"	801.063766	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"849599"	281.004366	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1618847"	281.004366	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"97491"	277.010763	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"542525"	407.025613	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"927132"	146.995913	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"267386"	555.028802	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"660013"	815.058502	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1272776"	294.999102	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"16017"	557.008006	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"456195"	817.037706	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"832823"	296.978306	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1555729"	296.978306	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"950719"	305.027894	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"364561"	565.057601	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"345927"	579.073251	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1493019"	319.043551	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"958696"	327.009851	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"110033"	294.999102	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"550248"	425.013952	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1021593"	164.984252	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1241399"	338.948585	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1305201"	341.004572	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1327080"	362.986529	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"913033"	373.015286	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1294846"	408.991964	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1381031"	225.017024	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1388320"	243.027	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"289101"	521.066676	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"684803"	781.096376	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1358600"	261.036976	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"130759"	261.036976	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"575787"	391.051826	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1051157"	131.022126	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"214686"	174.360409333333	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"653153"	261.036976	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1172370"	87.6838426666667	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"433455"	538.093223	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"793358"	798.122923	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1687864"	278.063523	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"334320"	269.5502495	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"726379"	399.5650995	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1479471"	139.5353995	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"395598"	543.048618	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"754890"	803.078318	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1602942"	283.018918	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"314605"	272.027947	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"707511"	402.042797	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1462792"	142.013097	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1057131"	95.0111566666667	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1263182"	293.063186	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"380665"	559.022558	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"747129"	819.052258	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1545904"	298.992858	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"301986"	280.014917	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"694770"	410.029767	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1450421"	150.000067	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"242304"	562.093226	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1212827"	302.063526	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1199989"	151.535401	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"193954"	565.03056	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"630356"	825.06026	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1135927"	305.00086	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"176057"	283.018918	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"618777"	413.033768	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1119001"	153.004068	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1400703"	102.338470666667	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1430466"	307.042446	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"226524"	288.05194	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1515680"	321.09449	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"420469"	291.005888	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"776361"	421.020738	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1668317"	160.991038	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"252648"	584.075168	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1240071"	324.045468	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1727621"	324.068993	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1190545"	109.665784666667	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1660437"	329.024388	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"169483"	596.97844	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"611237"	857.00814	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1091376"	336.94874	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"150379"	298.992858	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"591032"	429.007708	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1071172"	168.978008	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1101465"	338.963292	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1341861"	339.050907	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1007110"	343.090076	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1530705"	344.083708	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1000435"	172.048676	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1598222"	344.998328	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1428985"	375.029838	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1160730"	192.561951	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1708092"	392.056385	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1636452"	397.01178	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1583770"	412.98572	"C00275"	"D-Mannose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"807575"	200.0086	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M"	0
"977826"	180.99021	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H2O-H"	-19.01839
"70442"	132.331790666667	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-3H"	-3.021828
"511095"	199.001324	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-3H"	-3.021828
"885615"	65.6622573333333	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-3H"	-3.021828
"6378"	199.001324	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H"	-2.014552
"445943"	299.005624	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H"	-2.014552
"817790"	98.997024	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H"	-2.014552
"79037"	399.009924	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H"	-1.007276
"519281"	599.018524	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H"	-1.007276
"897092"	199.001324	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H"	-1.007276
"49271"	416.036471	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+NH4"	16.019271
"488469"	616.045071	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+NH4"	16.019271
"865542"	216.027871	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+NH4"	16.019271
"32715"	420.991866	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+Na"	20.974666
"472759"	621.000466	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+Na"	20.974666
"849345"	220.983266	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+Na"	20.974666
"1619970"	220.983266	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na-2H"	20.974666
"97601"	216.989663	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H+Cl"	33.962126
"537161"	316.993963	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H+Cl"	33.962126
"927196"	116.985363	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+Cl"	33.962126
"267780"	434.986602	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Cl"	34.969402
"662394"	634.995202	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Cl"	34.969402
"1273003"	234.978002	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl"	34.969402
"16048"	436.965806	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+K"	36.948606
"455840"	636.974406	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+K"	36.948606
"833987"	236.957206	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+K"	36.948606
"1556135"	236.957206	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K-2H"	36.948606
"946818"	245.006794	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+HCOOH"	44.998194
"365035"	445.015401	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+HCOOH-H"	44.998201
"346726"	459.031051	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Hac-H"	59.013851
"1494104"	259.022451	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Hac-H"	59.013851
"959819"	266.988751	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+NaCOOH"	66.980151
"112013"	234.978002	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Cl"	69.938804
"551208"	334.982302	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Cl"	69.938804
"1022923"	134.973702	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Cl"	69.938804
"1241772"	278.927485	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Br"	78.918885
"1305312"	280.983472	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+HCOOH"	80.974872
"1322814"	302.965429	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+NaCOOH"	102.956829
"912779"	312.994186	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+CF3COOH"	112.985586
"1293863"	348.970864	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+CF3COOH"	148.962264
"1378588"	164.995924	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-2H2O"	-35.012676
"1391711"	183.0059	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-H2O"	-17.0027
"292489"	401.024476	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H"	1.007276
"684912"	601.033076	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H"	1.007276
"1359074"	201.015876	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H"	1.007276
"130869"	201.015876	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2H"	2.014552
"573709"	301.020176	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2H"	2.014552
"1052368"	101.011576	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H"	2.014552
"218802"	134.346342666667	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H"	3.021828
"658368"	201.015876	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+3H"	3.021828
"1173572"	67.6768093333333	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3H"	3.021828
"434658"	418.051023	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+NH4"	18.033823
"796747"	618.059623	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+NH4"	18.033823
"1685787"	218.042423	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4"	18.033823
"332972"	209.5291495	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+NH4"	19.041099
"727584"	309.5334495	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+NH4"	19.041099
"1480674"	109.5248495	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+NH4"	19.041099
"394615"	423.006418	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na"	22.989218
"756704"	623.015018	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na"	22.989218
"1603585"	222.997818	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na"	22.989218
"315931"	212.006847	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+Na"	23.996494
"708717"	312.011147	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+Na"	23.996494
"1464359"	112.002547	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+Na"	23.996494
"1058698"	75.0041233333333	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H+Na"	25.00377
"1259646"	233.042086	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+CH3OH+H"	33.033486
"384055"	438.980358	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+K"	38.963158
"745052"	638.988958	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+K"	38.963158
"1543098"	238.971758	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K"	38.963158
"301730"	219.993817	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+K"	39.970434
"693787"	319.998117	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+K"	39.970434
"1451624"	119.989517	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+K"	39.970434
"243507"	442.051026	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+H"	42.033826
"1214030"	242.042426	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+H"	42.033826
"1200101"	121.524851	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+2H"	43.041102
"196251"	444.98836	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na-H"	44.97116
"633625"	644.99696	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na-H"	44.97116
"1132269"	244.97976	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na-H"	44.97116
"177139"	222.997818	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na"	45.978436
"617791"	323.002118	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na"	45.978436
"1118017"	122.993518	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na"	45.978436
"1401543"	82.3314373333333	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+2Na"	46.985712
"1430500"	247.021346	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+HCOOH"	47.012746
"222260"	228.03084	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H2O+2H"	56.04448
"1512509"	261.07339	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+H"	61.06479
"413289"	230.984788	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na+K"	61.952376
"773190"	330.989088	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na+K"	61.952376
"1667333"	130.980488	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+K"	61.952376
"253851"	464.032968	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+Na"	64.015768
"1240058"	264.024368	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+Na"	64.015768
"1727374"	264.047893	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+HCOOH"	64.039293
"1193454"	89.6587513333333	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3Na"	68.967654
"1662733"	269.003288	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+HCOOH"	68.994688
"172024"	476.93624	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K-H"	76.91904
"610982"	676.94484	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K-H"	76.91904
"1092579"	276.92764	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K-H"	76.91904
"148302"	238.971758	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K"	77.926316
"584582"	338.976058	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K"	77.926316
"1070553"	138.967458	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K"	77.926316
"1100847"	278.942192	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K+H"	78.933592
"1343064"	279.029807	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+DMSO+H"	79.021207
"1007220"	283.068976	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+H"	83.060376
"1533001"	284.062608	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+Na+H"	84.054008
"1001638"	142.038126	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+2H"	84.067652
"1600518"	284.977228	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+HCOOH"	84.968628
"1427637"	315.008738	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+CF3COOH"	115.000138
"1159746"	162.551401	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3ACN+2H"	125.094202
"1708202"	332.035285	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+CF3COOH"	132.026685
"1636198"	336.99068	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+CF3COOH"	136.98208
"1583880"	352.96462	"C00279"	"D-Erythrose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+CF3COOH"	152.95602
"807686"	286.1933	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M"	0
"981218"	267.17491	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H2O-H"	-19.01839
"71647"	189.788257333333	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-3H"	-3.021828
"515579"	285.186024	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-3H"	-3.021828
"892286"	94.3904906666667	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-3H"	-3.021828
"7584"	285.186024	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H"	-2.014552
"446053"	428.282674	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H"	-2.014552
"819480"	142.089374	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H"	-2.014552
"78986"	571.379324	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-H"	-1.007276
"520123"	857.572624	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-H"	-1.007276
"896464"	285.186024	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H"	-1.007276
"49019"	588.405871	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H+NH4"	16.019271
"488218"	874.599171	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H+NH4"	16.019271
"866382"	302.212571	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H+NH4"	16.019271
"33677"	593.361266	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H+Na"	20.974666
"473720"	879.554566	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H+Na"	20.974666
"851036"	307.167966	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H+Na"	20.974666
"1619718"	307.167966	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na-2H"	20.974666
"97711"	303.174363	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-H+Cl"	33.962126
"538368"	446.271013	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-H+Cl"	33.962126
"939540"	160.077713	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+Cl"	33.962126
"269348"	607.356002	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Cl"	34.969402
"665420"	893.549302	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+Cl"	34.969402
"1273039"	321.162702	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl"	34.969402
"16522"	609.335206	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H+K"	36.948606
"456124"	895.528506	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H+K"	36.948606
"834097"	323.141906	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H+K"	36.948606
"1556854"	323.141906	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K-2H"	36.948606
"946564"	331.191494	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+HCOOH"	44.998194
"364781"	617.384801	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+HCOOH-H"	44.998201
"347202"	631.400451	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Hac-H"	59.013851
"1493723"	345.207151	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Hac-H"	59.013851
"960046"	353.173451	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+NaCOOH"	66.980151
"111504"	321.162702	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2Cl"	69.938804
"550383"	464.259352	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2Cl"	69.938804
"1021609"	178.066052	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2Cl"	69.938804
"1241552"	365.112185	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Br"	78.918885
"1305542"	367.168172	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl+HCOOH"	80.974872
"1321459"	389.150129	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl+NaCOOH"	102.956829
"914339"	399.178886	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+CF3COOH"	112.985586
"1288864"	435.155564	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl+CF3COOH"	148.962264
"1368481"	251.180624	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H-2H2O"	-35.012676
"1385253"	269.1906	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H-H2O"	-17.0027
"292599"	573.393876	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H"	1.007276
"688302"	859.587176	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H"	1.007276
"1362100"	287.200576	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H"	1.007276
"136446"	287.200576	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2H"	2.014552
"576007"	430.297226	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2H"	2.014552
"1052355"	144.103926	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2H"	2.014552
"218185"	191.802809333333	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+3H"	3.021828
"656654"	287.200576	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+3H"	3.021828
"1172589"	96.4050426666667	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+3H"	3.021828
"434770"	590.420423	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+NH4"	18.033823
"799042"	876.613723	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+NH4"	18.033823
"1685898"	304.227123	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+NH4"	18.033823
"334176"	295.7138495	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H+NH4"	19.041099
"728423"	438.8104995	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H+NH4"	19.041099
"1480784"	152.6171995	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+NH4"	19.041099
"395089"	595.375818	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Na"	22.989218
"757178"	881.569118	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+Na"	22.989218
"1604546"	309.182518	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na"	22.989218
"315677"	298.191547	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H+Na"	23.996494
"709193"	441.288197	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H+Na"	23.996494
"1465200"	155.094897	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+Na"	23.996494
"1059538"	103.732356666667	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2H+Na"	25.00377
"1262310"	319.226786	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+CH3OH+H"	33.033486
"383072"	611.349758	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+K"	38.963158
"747349"	897.543058	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+K"	38.963158
"1541751"	325.156458	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K"	38.963158
"301113"	306.178517	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H+K"	39.970434
"696813"	449.275167	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H+K"	39.970434
"1451734"	163.081867	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+K"	39.970434
"239244"	614.420426	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+ACN+H"	42.033826
"1213044"	328.227126	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+ACN+H"	42.033826
"1194862"	164.617201	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+ACN+2H"	43.041102
"190894"	617.35776	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2Na-H"	44.97116
"629966"	903.55106	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2Na-H"	44.97116
"1133228"	331.16446	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2Na-H"	44.97116
"178342"	309.182518	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2Na"	45.978436
"616807"	452.279168	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2Na"	45.978436
"1118127"	166.085868	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2Na"	45.978436
"1399825"	111.059670666667	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+2Na"	46.985712
"1432671"	333.206046	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+HCOOH"	47.012746
"222369"	314.21554	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+3H2O+2H"	56.04448
"1511524"	347.25809	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+IsoProp+H"	61.06479
"417770"	317.169488	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Na+K"	61.952376
"777670"	460.266138	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+Na+K"	61.952376
"1671813"	174.072838	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na+K"	61.952376
"257239"	636.402368	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+ACN+Na"	64.015768
"1240047"	350.209068	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+ACN+Na"	64.015768
"1726869"	350.232593	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+NH4+HCOOH"	64.039293
"1193559"	118.386984666667	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+3Na"	68.967654
"1659563"	355.187988	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na+HCOOH"	68.994688
"167517"	649.30564	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2K-H"	76.91904
"608172"	935.49894	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2K-H"	76.91904
"1094876"	363.11234	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2K-H"	76.91904
"148412"	325.156458	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2K"	77.926316
"589066"	468.253108	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2K"	77.926316
"1076860"	182.059808	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2K"	77.926316
"1105697"	365.126892	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2K+H"	78.933592
"1339894"	365.214507	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+DMSO+H"	79.021207
"1013891"	369.253676	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2ACN+H"	83.060376
"1532018"	370.247308	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+IsoProp+Na+H"	84.054008
"999561"	185.130476	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2ACN+2H"	84.067652
"1597345"	371.161928	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K+HCOOH"	84.968628
"1428840"	401.193438	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+CF3COOH"	115.000138
"1158762"	205.643751	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+3ACN+2H"	125.094202
"1708313"	418.219985	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+NH4+CF3COOH"	132.026685
"1639589"	423.17538	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na+CF3COOH"	136.98208
"1583990"	439.14932	"C00280"	"Androstenedione;Androst-4-ene-317-dione;4-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K+CF3COOH"	152.95602
"811075"	2.0157	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M"	0
"981328"	-17.00269	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-H2O-H"	-19.01839
"73943"	0.336524	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M-3H"	-3.021828
"515688"	1.008424	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M-3H"	-3.021828
"893490"	-0.335376	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-3H"	-3.021828
"9880"	1.008424	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M-2H"	-2.014552
"445070"	2.016274	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M-2H"	-2.014552
"822869"	0.000573999999999852	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-2H"	-2.014552
"82862"	3.024124	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M-H"	-1.007276
"520602"	5.039824	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M-H"	-1.007276
"896579"	1.008424	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-H"	-1.007276
"53504"	20.050671	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M-2H+NH4"	16.019271
"493066"	22.066371	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M-2H+NH4"	16.019271
"868681"	18.034971	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-2H+NH4"	16.019271
"35852"	25.006066	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M-2H+Na"	20.974666
"476141"	27.021766	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M-2H+Na"	20.974666
"853940"	22.990366	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-2H+Na"	20.974666
"1620924"	22.990366	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Na-2H"	20.974666
"97821"	18.996763	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M-H+Cl"	33.962126
"541758"	20.004613	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M-H+Cl"	33.962126
"934181"	17.988913	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-H+Cl"	33.962126
"269092"	39.000802	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+Cl"	34.969402
"664436"	41.016502	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+Cl"	34.969402
"1273673"	36.985102	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Cl"	34.969402
"16715"	40.980006	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M-2H+K"	36.948606
"457133"	42.995706	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M-2H+K"	36.948606
"834323"	38.964306	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-2H+K"	36.948606
"1558788"	38.964306	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+K-2H"	36.948606
"947402"	47.013894	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-H+HCOOH"	44.998194
"363065"	49.029601	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+HCOOH-H"	44.998201
"348037"	63.045251	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+Hac-H"	59.013851
"1495408"	61.029551	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Hac-H"	59.013851
"961130"	68.995851	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-H+NaCOOH"	66.980151
"111736"	36.985102	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+2Cl"	69.938804
"550817"	37.992952	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+2Cl"	69.938804
"1022045"	35.977252	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2Cl"	69.938804
"1242960"	80.934585	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Br"	78.918885
"1307352"	82.990572	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Cl+HCOOH"	80.974872
"1322663"	104.972529	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Cl+NaCOOH"	102.956829
"915178"	115.001286	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M-H+CF3COOH"	112.985586
"1292982"	150.977964	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Cl+CF3COOH"	148.962264
"1371144"	-32.996976	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H-2H2O"	-35.012676
"1387549"	-14.987	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H-H2O"	-17.0027
"285778"	5.038676	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+H"	1.007276
"680022"	7.054376	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+H"	1.007276
"1360389"	3.022976	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H"	1.007276
"136192"	3.022976	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+2H"	2.014552
"577210"	4.030826	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+2H"	2.014552
"1052668"	2.015126	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2H"	2.014552
"217202"	2.351076	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+3H"	3.021828
"656763"	3.022976	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+3H"	3.021828
"1172700"	1.679176	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+3H"	3.021828
"434879"	22.065223	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+NH4"	18.033823
"792593"	24.080923	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+NH4"	18.033823
"1684915"	20.049523	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+NH4"	18.033823
"336109"	11.5362495	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+H+NH4"	19.041099
"728533"	12.5440995	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+H+NH4"	19.041099
"1480166"	10.5283995	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H+NH4"	19.041099
"395928"	27.020618	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+Na"	22.989218
"755831"	29.036318	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+Na"	22.989218
"1606478"	25.004918	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Na"	22.989218
"317609"	14.013947	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+H+Na"	23.996494
"709304"	15.021797	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+H+Na"	23.996494
"1465310"	13.006097	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H+Na"	23.996494
"1058555"	9.00649	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2H+Na"	25.00377
"1262419"	35.049186	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+CH3OH+H"	33.033486
"383182"	42.994558	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+K"	38.963158
"744179"	45.010258	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+K"	38.963158
"1541861"	40.978858	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+K"	38.963158
"299642"	22.000917	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+H+K"	39.970434
"699110"	23.008767	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+H+K"	39.970434
"1449657"	20.993067	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H+K"	39.970434
"239357"	46.065226	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+ACN+H"	42.033826
"1210969"	44.049526	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+ACN+H"	42.033826
"1195335"	22.528401	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+ACN+2H"	43.041102
"191368"	49.00256	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+2Na-H"	44.97116
"630564"	51.01826	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+2Na-H"	44.97116
"1137348"	46.98686	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2Na-H"	44.97116
"181731"	25.004918	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+2Na"	45.978436
"621290"	26.012768	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+2Na"	45.978436
"1124797"	23.997068	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2Na"	45.978436
"1403946"	16.333804	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H+2Na"	46.985712
"1437155"	49.028446	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H+HCOOH"	47.012746
"226852"	30.03794	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+3H2O+2H"	56.04448
"1519287"	63.08049	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+IsoProp+H"	61.06479
"423226"	32.991888	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+Na+K"	61.952376
"783247"	33.999738	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+Na+K"	61.952376
"1679214"	31.984038	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Na+K"	61.952376
"263546"	68.047168	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+ACN+Na"	64.015768
"1238819"	66.031468	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+ACN+Na"	64.015768
"1725516"	66.054993	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+NH4+HCOOH"	64.039293
"1192699"	23.661118	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+3Na"	68.967654
"1664412"	71.010388	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Na+HCOOH"	68.994688
"171637"	80.95044	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+2K-H"	76.91904
"612536"	82.96614	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+2K-H"	76.91904
"1094985"	78.93474	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2K-H"	76.91904
"149614"	40.978858	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"2M+2K"	77.926316
"585896"	41.986708	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"3M+2K"	77.926316
"1071136"	39.971008	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2K"	77.926316
"1105807"	80.949292	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2K+H"	78.933592
"1337087"	81.036907	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+DMSO+H"	79.021207
"1014001"	85.076076	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2ACN+H"	83.060376
"1532128"	86.069708	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+IsoProp+Na+H"	84.054008
"995296"	43.041676	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+2ACN+2H"	84.067652
"1596362"	86.984328	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+K+HCOOH"	84.968628
"1422023"	117.015838	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+H+CF3COOH"	115.000138
"1155591"	63.554951	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+3ACN+2H"	125.094202
"1705142"	134.042385	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+NH4+CF3COOH"	132.026685
"1634594"	138.99778	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+Na+CF3COOH"	136.98208
"1584100"	154.97172	"C00282"	"Hydrogen;H2"	"H2"	"2.0157"	"M+K+CF3COOH"	152.95602
"811189"	33.9877	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M"	0
"981440"	14.96931	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-H2O-H"	-19.01839
"76241"	21.6511906666667	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M-3H"	-3.021828
"516893"	32.980424	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M-3H"	-3.021828
"893602"	10.3219573333333	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-3H"	-3.021828
"13272"	32.980424	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M-2H"	-2.014552
"447365"	49.974274	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M-2H"	-2.014552
"821891"	15.986574	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-2H"	-2.014552
"85160"	66.968124	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M-H"	-1.007276
"522898"	100.955824	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M-H"	-1.007276
"898150"	32.980424	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-H"	-1.007276
"50701"	83.994671	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M-2H+NH4"	16.019271
"493177"	117.982371	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M-2H+NH4"	16.019271
"869885"	50.006971	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-2H+NH4"	16.019271
"34504"	88.950066	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M-2H+Na"	20.974666
"473700"	122.937766	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M-2H+Na"	20.974666
"852964"	54.962366	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-2H+Na"	20.974666
"1619579"	54.962366	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Na-2H"	20.974666
"105590"	50.968763	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M-H+Cl"	33.962126
"540775"	67.962613	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M-H+Cl"	33.962126
"938667"	33.974913	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-H+Cl"	33.962126
"276863"	102.944802	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+Cl"	34.969402
"664546"	136.932502	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+Cl"	34.969402
"1275127"	68.957102	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Cl"	34.969402
"20598"	104.924006	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M-2H+K"	36.948606
"460524"	138.911706	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M-2H+K"	36.948606
"838690"	70.936306	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-2H+K"	36.948606
"1561084"	70.936306	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+K-2H"	36.948606
"948972"	78.985894	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-H+HCOOH"	44.998194
"365365"	112.973601	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+HCOOH-H"	44.998201
"346694"	126.989251	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+Hac-H"	59.013851
"1493337"	93.001551	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Hac-H"	59.013851
"959784"	100.967851	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-H+NaCOOH"	66.980151
"111611"	68.957102	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+2Cl"	69.938804
"552994"	85.950952	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+2Cl"	69.938804
"1022886"	51.963252	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2Cl"	69.938804
"1242829"	112.906585	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Br"	78.918885
"1306007"	114.962572	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Cl+HCOOH"	80.974872
"1323139"	136.944529	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Cl+NaCOOH"	102.956829
"912864"	146.973286	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M-H+CF3COOH"	112.985586
"1290545"	182.949964	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Cl+CF3COOH"	148.962264
"1371985"	-1.024976	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H-2H2O"	-35.012676
"1388754"	16.985	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H-H2O"	-17.0027
"286254"	68.982676	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+H"	1.007276
"684142"	102.970376	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+H"	1.007276
"1357211"	34.994976	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H"	1.007276
"134478"	34.994976	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+2H"	2.014552
"578414"	51.988826	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+2H"	2.014552
"1051599"	18.001126	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2H"	2.014552
"217311"	23.6657426666667	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+3H"	3.021828
"657600"	34.994976	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+3H"	3.021828
"1170624"	12.3365093333333	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+3H"	3.021828
"430616"	86.009223	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+NH4"	18.033823
"793069"	119.996923	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+NH4"	18.033823
"1687212"	52.021523	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+NH4"	18.033823
"334396"	43.5082495	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+H+NH4"	19.041099
"726454"	60.5020995	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+H+NH4"	19.041099
"1481365"	26.5143995	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H+NH4"	19.041099
"396036"	90.964618	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+Na"	22.989218
"757396"	124.952318	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+Na"	22.989218
"1608045"	56.976918	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Na"	22.989218
"318086"	45.985947	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+H+Na"	23.996494
"710508"	62.979797	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+H+Na"	23.996494
"1467606"	28.992097	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H+Na"	23.996494
"1059756"	19.6638233333333	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2H+Na"	25.00377
"1261437"	67.021186	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+CH3OH+H"	33.033486
"379648"	106.938558	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+K"	38.963158
"743197"	140.926258	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+K"	38.963158
"1542332"	72.950858	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+K"	38.963158
"302427"	53.972917	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+H+K"	39.970434
"705784"	70.966767	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+H+K"	39.970434
"1450861"	36.979067	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H+K"	39.970434
"239467"	110.009226	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+ACN+H"	42.033826
"1211078"	76.021526	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+ACN+H"	42.033826
"1197149"	38.514401	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+ACN+2H"	43.041102
"192208"	112.94656	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+2Na-H"	44.97116
"637232"	146.93426	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+2Na-H"	44.97116
"1138550"	78.95886	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2Na-H"	44.97116
"181840"	56.976918	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+2Na"	45.978436
"617027"	73.970768	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+2Na"	45.978436
"1126000"	39.983068	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2Na"	45.978436
"1411347"	26.9911373333333	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H+2Na"	46.985712
"1440548"	81.000446	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H+HCOOH"	47.012746
"232429"	62.00994	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+3H2O+2H"	56.04448
"1520491"	95.05249	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+IsoProp+H"	61.06479
"421269"	64.963888	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+Na+K"	61.952376
"784087"	81.957738	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+Na+K"	61.952376
"1675315"	47.970038	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Na+K"	61.952376
"262928"	131.991168	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+ACN+Na"	64.015768
"1240631"	98.003468	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+ACN+Na"	64.015768
"1725992"	98.026993	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+NH4+HCOOH"	64.039293
"1193173"	34.3184513333333	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+3Na"	68.967654
"1665553"	102.982388	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Na+HCOOH"	68.994688
"171747"	144.89444	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+2K-H"	76.91904
"612747"	178.88214	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+2K-H"	76.91904
"1091815"	110.90674	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2K-H"	76.91904
"154099"	72.950858	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"2M+2K"	77.926316
"590381"	89.944708	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"3M+2K"	77.926316
"1073800"	55.957008	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2K"	77.926316
"1104820"	112.921292	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2K+H"	78.933592
"1345579"	113.008907	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+DMSO+H"	79.021207
"1016296"	117.048076	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2ACN+H"	83.060376
"1530047"	118.041708	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+IsoProp+Na+H"	84.054008
"993219"	59.027676	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+2ACN+2H"	84.067652
"1591005"	118.956328	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+K+HCOOH"	84.968628
"1421039"	148.987838	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+H+CF3COOH"	115.000138
"1158985"	79.540951	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+3ACN+2H"	125.094202
"1706346"	166.014385	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+NH4+CF3COOH"	132.026685
"1641998"	170.96978	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+Na+CF3COOH"	136.98208
"1584210"	186.94372	"C00283"	"Hydrogen sulfide;Hydrogen-sulfide;H2S;Sulfide"	"H2S"	"33.9877"	"M+K+CF3COOH"	152.95602
"813486"	292.0907	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M"	0
"989574"	273.07231	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-H2O-H"	-19.01839
"77329"	193.719857333333	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M-3H"	-3.021828
"511541"	291.083424	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M-3H"	-3.021828
"891529"	96.3562906666667	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-3H"	-3.021828
"7915"	291.083424	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M-2H"	-2.014552
"448573"	437.128774	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M-2H"	-2.014552
"826375"	145.038074	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-2H"	-2.014552
"87462"	583.174124	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M-H"	-1.007276
"521556"	875.264824	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M-H"	-1.007276
"898260"	291.083424	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-H"	-1.007276
"48018"	600.200671	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M-2H+NH4"	16.019271
"488917"	892.291371	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M-2H+NH4"	16.019271
"868904"	308.109971	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-2H+NH4"	16.019271
"34615"	605.156066	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M-2H+Na"	20.974666
"476367"	897.246766	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M-2H+Na"	20.974666
"853074"	313.065366	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-2H+Na"	20.974666
"1619689"	313.065366	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Na-2H"	20.974666
"100232"	309.071763	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M-H+Cl"	33.962126
"540885"	455.117113	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M-H+Cl"	33.962126
"938049"	163.026413	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-H+Cl"	33.962126
"276243"	619.150802	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+Cl"	34.969402
"664656"	911.241502	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+Cl"	34.969402
"1278883"	327.060102	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Cl"	34.969402
"21438"	621.130006	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M-2H+K"	36.948606
"461002"	913.220706	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M-2H+K"	36.948606
"836978"	329.039306	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-2H+K"	36.948606
"1561560"	329.039306	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+K-2H"	36.948606
"949084"	337.088894	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-H+HCOOH"	44.998194
"371674"	629.179601	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+HCOOH-H"	44.998201
"351182"	643.195251	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+Hac-H"	59.013851
"1495275"	351.104551	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Hac-H"	59.013851
"966462"	359.070851	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-H+NaCOOH"	66.980151
"111357"	327.060102	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+2Cl"	69.938804
"553471"	473.105452	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+2Cl"	69.938804
"1024819"	181.014752	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2Cl"	69.938804
"1244764"	371.009585	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Br"	78.918885
"1305756"	373.065572	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Cl+HCOOH"	80.974872
"1321431"	395.047529	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Cl+NaCOOH"	102.956829
"915772"	405.076286	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M-H+CF3COOH"	112.985586
"1290652"	441.052964	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Cl+CF3COOH"	148.962264
"1372464"	257.078024	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H-2H2O"	-35.012676
"1392147"	275.088	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H-H2O"	-17.0027
"292928"	585.188676	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+H"	1.007276
"683162"	877.279376	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+H"	1.007276
"1362426"	293.097976	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H"	1.007276
"136776"	293.097976	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+2H"	2.014552
"578526"	439.143326	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+2H"	2.014552
"1048428"	147.052626	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2H"	2.014552
"219126"	195.734409333333	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+3H"	3.021828
"655890"	293.097976	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+3H"	3.021828
"1170735"	98.3708426666667	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+3H"	3.021828
"430728"	602.215223	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+NH4"	18.033823
"796827"	894.305923	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+NH4"	18.033823
"1686229"	310.124523	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+NH4"	18.033823
"336335"	301.6112495	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+H+NH4"	19.041099
"727661"	447.6565995	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+H+NH4"	19.041099
"1484762"	155.5658995	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H+NH4"	19.041099
"397975"	607.170618	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+Na"	22.989218
"760063"	899.261318	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+Na"	22.989218
"1609255"	315.079918	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Na"	22.989218
"320384"	304.088947	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+H+Na"	23.996494
"713898"	450.134297	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+H+Na"	23.996494
"1466627"	158.043597	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H+Na"	23.996494
"1057685"	105.698156666667	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2H+Na"	25.00377
"1263738"	325.124186	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+CH3OH+H"	33.033486
"382312"	623.144558	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+K"	38.963158
"748777"	915.235258	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+K"	38.963158
"1549737"	331.053858	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+K"	38.963158
"304727"	312.075917	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+H+K"	39.970434
"700429"	458.121267	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+H+K"	39.970434
"1458994"	166.030567	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H+K"	39.970434
"246138"	626.215226	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+ACN+H"	42.033826
"1219940"	334.124526	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+ACN+H"	42.033826
"1200542"	167.565901	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+ACN+2H"	43.041102
"195598"	629.15256	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+2Na-H"	44.97116
"634064"	921.24326	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+2Na-H"	44.97116
"1141216"	337.06186	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2Na-H"	44.97116
"184140"	315.079918	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+2Na"	45.978436
"626615"	461.125268	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+2Na"	45.978436
"1125018"	169.034568	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2Na"	45.978436
"1409635"	113.025470666667	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H+2Na"	46.985712
"1437375"	339.103446	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H+HCOOH"	47.012746
"225979"	320.11294	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+3H2O+2H"	56.04448
"1515137"	353.15549	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+IsoProp+H"	61.06479
"417011"	323.066888	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+Na+K"	61.952376
"779100"	469.112238	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+Na+K"	61.952376
"1678345"	177.021538	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Na+K"	61.952376
"258671"	648.197168	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+ACN+Na"	64.015768
"1239770"	356.106468	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+ACN+Na"	64.015768
"1728407"	356.129993	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+NH4+HCOOH"	64.039293
"1192189"	120.352784666667	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+3Na"	68.967654
"1660988"	361.085388	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Na+HCOOH"	68.994688
"171494"	661.10044	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+2K-H"	76.91904
"610690"	953.19114	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+2K-H"	76.91904
"1098116"	369.00974	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2K-H"	76.91904
"155905"	331.053858	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"2M+2K"	77.926316
"589400"	477.099208	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"3M+2K"	77.926316
"1071724"	185.008508	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2K"	77.926316
"1109307"	371.024292	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2K+H"	78.933592
"1344597"	371.111907	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+DMSO+H"	79.021207
"1013128"	375.151076	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2ACN+H"	83.060376
"1537813"	376.144708	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+IsoProp+Na+H"	84.054008
"993330"	188.079176	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+2ACN+2H"	84.067652
"1591115"	377.059328	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+K+HCOOH"	84.968628
"1422243"	407.090838	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+H+CF3COOH"	115.000138
"1159092"	208.592451	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+3ACN+2H"	125.094202
"1706456"	424.117385	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+NH4+CF3COOH"	132.026685
"1642108"	429.07278	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+Na+CF3COOH"	136.98208
"1584320"	445.04672	"C00284"	"EDTA;Ethylenediaminetetraacetic acid;Edetic acid"	"C10H16N2O8"	"292.0907"	"M+K+CF3COOH"	152.95602
"814685"	506.9957	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M"	0
"981660"	487.97731	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H2O-H"	-19.01839
"75368"	336.989857333333	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-3H"	-3.021828
"514927"	505.988424	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-3H"	-3.021828
"892728"	167.991290666667	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-3H"	-3.021828
"8024"	505.988424	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H"	-2.014552
"443211"	759.486274	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H"	-2.014552
"822111"	252.490574	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H"	-2.014552
"79549"	1012.984124	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-H"	-1.007276
"519839"	1519.979824	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-H"	-1.007276
"896059"	505.988424	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H"	-1.007276
"47884"	1030.010671	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+NH4"	16.019271
"490119"	1537.006371	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+NH4"	16.019271
"866828"	523.014971	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+NH4"	16.019271
"31808"	1034.966066	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+Na"	20.974666
"472097"	1541.961766	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+Na"	20.974666
"852091"	527.970366	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+Na"	20.974666
"1618461"	527.970366	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na-2H"	20.974666
"95964"	523.976763	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-H+Cl"	33.962126
"540995"	777.474613	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-H+Cl"	33.962126
"932323"	270.478913	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+Cl"	33.962126
"275624"	1048.960802	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Cl"	34.969402
"668771"	1555.956502	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Cl"	34.969402
"1284457"	541.965102	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl"	34.969402
"20819"	1050.940006	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+K"	36.948606
"461840"	1557.935706	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+K"	36.948606
"839640"	543.944306	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+K"	36.948606
"1560575"	543.944306	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K-2H"	36.948606
"949194"	551.993894	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+HCOOH"	44.998194
"371419"	1058.989601	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+HCOOH-H"	44.998201
"354572"	1073.005251	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Hac-H"	59.013851
"1495749"	566.009551	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Hac-H"	59.013851
"964385"	573.975851	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+NaCOOH"	66.980151
"112197"	541.965102	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Cl"	69.938804
"555041"	795.462952	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Cl"	69.938804
"1026023"	288.467252	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Cl"	69.938804
"1244511"	585.914585	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Br"	78.918885
"1306955"	587.970572	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+HCOOH"	80.974872
"1320928"	609.952529	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+NaCOOH"	102.956829
"914052"	619.981286	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+CF3COOH"	112.985586
"1290398"	655.957964	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+CF3COOH"	148.962264
"1371115"	471.983024	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H-2H2O"	-35.012676
"1388977"	489.993	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H-H2O"	-17.0027
"293038"	1014.998676	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H"	1.007276
"678896"	1521.994376	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H"	1.007276
"1359620"	508.002976	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H"	1.007276
"131415"	508.002976	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2H"	2.014552
"570247"	761.500826	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2H"	2.014552
"1052660"	254.505126	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2H"	2.014552
"219477"	339.004409333333	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+3H"	3.021828
"654902"	508.002976	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+3H"	3.021828
"1175221"	170.005842666667	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3H"	3.021828
"438126"	1032.025223	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+NH4"	18.033823
"795115"	1539.020923	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+NH4"	18.033823
"1682085"	525.029523	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4"	18.033823
"338631"	516.5162495	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+NH4"	19.041099
"725219"	770.0140995	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+NH4"	19.041099
"1479768"	263.0183995	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+NH4"	19.041099
"396992"	1036.980618	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Na"	22.989218
"759079"	1543.976318	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Na"	22.989218
"1605355"	529.984918	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na"	22.989218
"318308"	518.993947	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+Na"	23.996494
"712915"	772.491797	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+Na"	23.996494
"1466737"	265.496097	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+Na"	23.996494
"1054515"	177.333156666667	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2H+Na"	25.00377
"1261660"	540.029186	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+CH3OH+H"	33.033486
"381329"	1052.954558	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+K"	38.963158
"750710"	1559.950258	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+K"	38.963158
"1548753"	545.958858	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K"	38.963158
"304837"	526.980917	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+K"	39.970434
"700539"	780.478767	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+K"	39.970434
"1457648"	273.483067	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+K"	39.970434
"244062"	1056.025226	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+ACN+H"	42.033826
"1218956"	549.029526	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+H"	42.033826
"1205026"	275.018401	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+2H"	43.041102
"194616"	1058.96256	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Na-H"	44.97116
"631989"	1565.95826	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Na-H"	44.97116
"1138775"	551.96686	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Na-H"	44.97116
"184979"	529.984918	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Na"	45.978436
"623811"	783.482768	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Na"	45.978436
"1126951"	276.487068	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Na"	45.978436
"1408652"	184.660470666667	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+2Na"	46.985712
"1440403"	554.008446	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+HCOOH"	47.012746
"226090"	535.01794	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+3H2O+2H"	56.04448
"1514153"	568.06049	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+IsoProp+H"	61.06479
"417850"	537.971888	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Na+K"	61.952376
"777753"	791.469738	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Na+K"	61.952376
"1679185"	284.474038	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+K"	61.952376
"262791"	1078.007168	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+ACN+Na"	64.015768
"1240977"	571.011468	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+Na"	64.015768
"1726586"	571.034993	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4+HCOOH"	64.039293
"1193028"	191.987784666667	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3Na"	68.967654
"1664748"	575.990388	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+HCOOH"	68.994688
"172537"	1090.91044	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2K-H"	76.91904
"609705"	1597.90614	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2K-H"	76.91904
"1098834"	583.91474	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K-H"	76.91904
"155042"	545.958858	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2K"	77.926316
"591697"	799.456708	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2K"	77.926316
"1071834"	292.461008	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K"	77.926316
"1108324"	585.929292	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K+H"	78.933592
"1343614"	586.016907	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+DMSO+H"	79.021207
"1016519"	590.056076	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2ACN+H"	83.060376
"1537196"	591.049708	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+IsoProp+Na+H"	84.054008
"995627"	295.531676	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2ACN+2H"	84.067652
"1590131"	591.964328	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K+HCOOH"	84.968628
"1416885"	621.995838	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+CF3COOH"	115.000138
"1155922"	316.044951	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3ACN+2H"	125.094202
"1706566"	639.022385	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4+CF3COOH"	132.026685
"1643311"	643.97778	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+CF3COOH"	136.98208
"1584430"	659.95172	"C00286"	"dGTP;2-Deoxyguanosine 5-triphosphate;Deoxyguanosine 5-triphosphate;Deoxyguanosine triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K+CF3COOH"	152.95602
"814795"	60.9926	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M"	0
"987238"	41.97421	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-H2O-H"	-19.01839
"75479"	39.6544573333333	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M-3H"	-3.021828
"517227"	59.985324	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M-3H"	-3.021828
"891747"	19.3235906666667	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-3H"	-3.021828
"13603"	59.985324	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M-2H"	-2.014552
"446602"	90.481624	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M-2H"	-2.014552
"822220"	29.489024	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-2H"	-2.014552
"85489"	120.977924	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M-H"	-1.007276
"522866"	181.970524	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M-H"	-1.007276
"901761"	59.985324	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-H"	-1.007276
"55042"	138.004471	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M-2H+NH4"	16.019271
"493510"	198.997071	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M-2H+NH4"	16.019271
"866086"	77.011871	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-2H+NH4"	16.019271
"34840"	142.959866	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M-2H+Na"	20.974666
"478774"	203.952466	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M-2H+Na"	20.974666
"858764"	81.967266	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-2H+Na"	20.974666
"1623925"	81.967266	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Na-2H"	20.974666
"105920"	77.973663	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M-H+Cl"	33.962126
"541106"	108.469963	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M-H+Cl"	33.962126
"937901"	47.477363	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-H+Cl"	33.962126
"276463"	156.954602	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+Cl"	34.969402
"669977"	217.947202	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+Cl"	34.969402
"1284569"	95.962002	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Cl"	34.969402
"27129"	158.933806	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M-2H+K"	36.948606
"466326"	219.926406	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M-2H+K"	36.948606
"846315"	97.941206	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-2H+K"	36.948606
"1564700"	97.941206	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+K-2H"	36.948606
"951492"	105.990794	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-H+HCOOH"	44.998194
"375422"	166.983401	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+HCOOH-H"	44.998201
"356507"	180.999051	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+Hac-H"	59.013851
"1496954"	120.006451	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Hac-H"	59.013851
"967776"	127.972751	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-H+NaCOOH"	66.980151
"113768"	95.962002	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+2Cl"	69.938804
"559524"	126.458302	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+2Cl"	69.938804
"1033426"	65.465702	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2Cl"	69.938804
"1253370"	139.911485	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Br"	78.918885
"1309619"	141.967472	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Cl+HCOOH"	80.974872
"1321649"	163.949429	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Cl+NaCOOH"	102.956829
"913555"	173.978186	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M-H+CF3COOH"	112.985586
"1290146"	209.954864	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Cl+CF3COOH"	148.962264
"1373777"	25.979924	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H-2H2O"	-35.012676
"1389088"	43.9899	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H-H2O"	-17.0027
"292055"	122.992476	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+H"	1.007276
"686667"	183.985076	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+H"	1.007276
"1365200"	61.999876	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H"	1.007276
"140275"	61.999876	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+2H"	2.014552
"577649"	92.496176	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+2H"	2.014552
"1052132"	31.503576	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2H"	2.014552
"216553"	41.6690093333333	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+3H"	3.021828
"658664"	61.999876	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+3H"	3.021828
"1168769"	21.3381426666667	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+3H"	3.021828
"433136"	140.019023	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+NH4"	18.033823
"793038"	201.011623	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+NH4"	18.033823
"1683898"	79.026423	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+NH4"	18.033823
"335462"	70.5131495	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+H+NH4"	19.041099
"731163"	101.0094495	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+H+NH4"	19.041099
"1481703"	40.0168495	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H+NH4"	19.041099
"398195"	144.974418	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+Na"	22.989218
"755910"	205.967018	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+Na"	22.989218
"1606195"	83.981818	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Na"	22.989218
"316231"	72.990847	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+H+Na"	23.996494
"709745"	103.487147	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+H+Na"	23.996494
"1463566"	42.494547	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H+Na"	23.996494
"1056810"	28.6654566666667	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2H+Na"	25.00377
"1261769"	94.026086	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+CH3OH+H"	33.033486
"384719"	160.948358	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+K"	38.963158
"748997"	221.940958	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+K"	38.963158
"1549958"	99.955758	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+K"	38.963158
"307135"	80.977817	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+H+K"	39.970434
"702836"	111.474117	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+H+K"	39.970434
"1455570"	50.481517	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H+K"	39.970434
"244171"	164.019026	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+ACN+H"	42.033826
"1217973"	103.026426	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+ACN+H"	42.033826
"1199669"	52.016851	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+ACN+2H"	43.041102
"194726"	166.95636	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+2Na-H"	44.97116
"636474"	227.94896	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+2Na-H"	44.97116
"1141072"	105.96376	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2Na-H"	44.97116
"183269"	83.981818	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+2Na"	45.978436
"625381"	114.478118	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+2Na"	45.978436
"1126334"	53.485518	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2Na"	45.978436
"1408765"	35.9927706666667	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H+2Na"	46.985712
"1439786"	108.005346	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H+HCOOH"	47.012746
"226203"	89.01484	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+3H2O+2H"	56.04448
"1517180"	122.05739	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+IsoProp+H"	61.06479
"419054"	91.968788	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+Na+K"	61.952376
"782237"	122.465088	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+Na+K"	61.952376
"1678930"	61.472488	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Na+K"	61.952376
"262901"	186.000968	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+ACN+Na"	64.015768
"1239635"	125.008368	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+ACN+Na"	64.015768
"1725606"	125.031893	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+NH4+HCOOH"	64.039293
"1191688"	43.3200846666667	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+3Na"	68.967654
"1663039"	129.987288	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Na+HCOOH"	68.994688
"170632"	198.90424	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+2K-H"	76.91904
"611885"	259.89684	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+2K-H"	76.91904
"1099070"	137.91164	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2K-H"	76.91904
"156740"	99.955758	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"2M+2K"	77.926316
"589257"	130.452058	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"3M+2K"	77.926316
"1070852"	69.459458	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2K"	77.926316
"1102969"	139.926192	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2K+H"	78.933592
"1341541"	140.013807	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+DMSO+H"	79.021207
"1014443"	144.052976	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2ACN+H"	83.060376
"1533661"	145.046608	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+IsoProp+Na+H"	84.054008
"995734"	72.530126	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+2ACN+2H"	84.067652
"1593518"	145.961228	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+K+HCOOH"	84.968628
"1414923"	175.992738	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+H+CF3COOH"	115.000138
"1149467"	93.043401	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+3ACN+2H"	125.094202
"1703396"	193.019285	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+NH4+CF3COOH"	132.026685
"1643421"	197.97468	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+Na+CF3COOH"	136.98208
"1574699"	213.94862	"C00288"	"HCO3-;Bicarbonate;Hydrogen carbonate;Acid carbonate"	"HCO3"	"60.9926"	"M+K+CF3COOH"	152.95602
"811626"	57.9353	"C00291"	"Nickel"	"Ni"	"57.9353"	"M"	0
"989510"	38.91691	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-H2O-H"	-19.01839
"74494"	37.6162573333333	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M-3H"	-3.021828
"511868"	56.928024	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M-3H"	-3.021828
"891858"	18.3044906666667	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-3H"	-3.021828
"9342"	56.928024	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M-2H"	-2.014552
"444528"	85.895674	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M-2H"	-2.014552
"822330"	27.960374	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-2H"	-2.014552
"87791"	114.863324	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M-H"	-1.007276
"527352"	172.798624	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M-H"	-1.007276
"899685"	56.928024	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-H"	-1.007276
"52968"	131.889871	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M-2H+NH4"	16.019271
"490341"	189.825171	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M-2H+NH4"	16.019271
"865709"	73.954571	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-2H+NH4"	16.019271
"34950"	136.845266	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M-2H+Na"	20.974666
"479980"	194.780566	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M-2H+Na"	20.974666
"857782"	78.909966	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-2H+Na"	20.974666
"1631327"	78.909966	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Na-2H"	20.974666
"106033"	74.916363	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M-H+Cl"	33.962126
"544499"	103.884013	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M-H+Cl"	33.962126
"940933"	45.948713	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-H+Cl"	33.962126
"280948"	150.840002	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+Cl"	34.969402
"672276"	208.775302	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+Cl"	34.969402
"1284679"	92.904702	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Cl"	34.969402
"23959"	152.819206	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M-2H+K"	36.948606
"467894"	210.754506	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M-2H+K"	36.948606
"839136"	94.883906	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-2H+K"	36.948606
"1565905"	94.883906	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+K-2H"	36.948606
"952331"	102.933494	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-H+HCOOH"	44.998194
"375286"	160.868801	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+HCOOH-H"	44.998201
"356252"	174.884451	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+Hac-H"	59.013851
"1497062"	116.949151	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Hac-H"	59.013851
"967886"	124.915451	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-H+NaCOOH"	66.980151
"120803"	92.904702	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+2Cl"	69.938804
"560727"	121.872352	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+2Cl"	69.938804
"1031713"	63.937052	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2Cl"	69.938804
"1245824"	136.854185	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Br"	78.918885
"1307177"	138.910172	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Cl+HCOOH"	80.974872
"1321391"	160.892129	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Cl+NaCOOH"	102.956829
"914274"	170.920886	"C00291"	"Nickel"	"Ni"	"57.9353"	"M-H+CF3COOH"	112.985586
"1291349"	206.897564	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Cl+CF3COOH"	148.962264
"1376078"	22.922624	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H-2H2O"	-35.012676
"1385918"	40.9326	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H-H2O"	-17.0027
"292165"	116.877876	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+H"	1.007276
"691029"	174.813176	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+H"	1.007276
"1364217"	58.942576	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H"	1.007276
"139297"	58.942576	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+2H"	2.014552
"580323"	87.910226	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+2H"	2.014552
"1039281"	29.974926	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2H"	2.014552
"215932"	39.6308093333333	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+3H"	3.021828
"655127"	58.942576	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+3H"	3.021828
"1174348"	20.3190426666667	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+3H"	3.021828
"432152"	133.904423	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+NH4"	18.033823
"789864"	191.839723	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+NH4"	18.033823
"1685830"	75.969123	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+NH4"	18.033823
"331557"	67.4558495	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+H+NH4"	19.041099
"724707"	96.4234995	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+H+NH4"	19.041099
"1480717"	38.4881995	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H+NH4"	19.041099
"397571"	138.859818	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+Na"	22.989218
"757113"	196.795118	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+Na"	22.989218
"1605576"	80.924518	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Na"	22.989218
"317433"	69.933547	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+H+Na"	23.996494
"709856"	98.901197	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+H+Na"	23.996494
"1465864"	40.965897	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H+Na"	23.996494
"1055828"	27.6463566666667	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2H+Na"	25.00377
"1260788"	90.968786	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+CH3OH+H"	33.033486
"384830"	154.833758	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+K"	38.963158
"750930"	212.769058	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+K"	38.963158
"1552256"	96.898458	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+K"	38.963158
"308338"	77.920517	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+H+K"	39.970434
"701860"	106.888167	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+H+K"	39.970434
"1454586"	48.952867	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H+K"	39.970434
"246469"	157.904426	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+ACN+H"	42.033826
"1220270"	99.969126	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+ACN+H"	42.033826
"1204153"	50.488201	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+ACN+2H"	43.041102
"201398"	160.84176	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+2Na-H"	44.97116
"639864"	218.77706	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+2Na-H"	44.97116
"1144828"	102.90646	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2Na-H"	44.97116
"187027"	80.924518	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+2Na"	45.978436
"625857"	109.892168	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+2Na"	45.978436
"1126445"	51.956868	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2Na"	45.978436
"1412157"	34.9736706666667	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H+2Na"	46.985712
"1443175"	104.948046	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H+HCOOH"	47.012746
"233239"	85.95754	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+3H2O+2H"	56.04448
"1523369"	119.00009	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+IsoProp+H"	61.06479
"424029"	88.911488	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+Na+K"	61.952376
"785435"	117.879138	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+Na+K"	61.952376
"1680016"	59.943838	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Na+K"	61.952376
"264481"	179.886368	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+ACN+Na"	64.015768
"1239743"	121.951068	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+ACN+Na"	64.015768
"1726080"	121.974593	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+NH4+HCOOH"	64.039293
"1191433"	42.3009846666667	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+3Na"	68.967654
"1662422"	126.929988	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Na+HCOOH"	68.994688
"171470"	192.78964	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+2K-H"	76.91904
"611993"	250.72494	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+2K-H"	76.91904
"1099542"	134.85434	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2K-H"	76.91904
"152722"	96.898458	"C00291"	"Nickel"	"Ni"	"57.9353"	"2M+2K"	77.926316
"594466"	125.866108	"C00291"	"Nickel"	"Ni"	"57.9353"	"3M+2K"	77.926316
"1082746"	67.930808	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2K"	77.926316
"1108545"	136.868892	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2K+H"	78.933592
"1346023"	136.956507	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+DMSO+H"	79.021207
"1017831"	140.995676	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2ACN+H"	83.060376
"1531583"	141.989308	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+IsoProp+Na+H"	84.054008
"995845"	71.001476	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+2ACN+2H"	84.067652
"1589621"	142.903928	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+K+HCOOH"	84.968628
"1422573"	172.935438	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+H+CF3COOH"	115.000138
"1156144"	91.514751	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+3ACN+2H"	125.094202
"1707882"	189.961985	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+NH4+CF3COOH"	132.026685
"1644625"	194.91738	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+Na+CF3COOH"	136.98208
"1584651"	210.89132	"C00291"	"Nickel"	"Ni"	"57.9353"	"M+K+CF3COOH"	152.95602
"815016"	93.0578	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M"	0
"983081"	74.03941	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-H2O-H"	-19.01839
"68044"	61.0312573333333	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M-3H"	-3.021828
"517449"	92.050524	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M-3H"	-3.021828
"893061"	30.0119906666667	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-3H"	-3.021828
"9452"	92.050524	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M-2H"	-2.014552
"443545"	138.579424	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M-2H"	-2.014552
"819160"	45.521624	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-2H"	-2.014552
"86808"	185.108324	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M-H"	-1.007276
"528557"	278.166124	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M-H"	-1.007276
"903077"	92.050524	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-H"	-1.007276
"55265"	202.134871	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M-2H+NH4"	16.019271
"489358"	295.192671	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M-2H+NH4"	16.019271
"868252"	109.077071	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-2H+NH4"	16.019271
"36153"	207.090266	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M-2H+Na"	20.974666
"484099"	300.148066	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M-2H+Na"	20.974666
"863729"	114.032466	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-2H+Na"	20.974666
"1631800"	114.032466	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Na-2H"	20.974666
"106142"	110.038863	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M-H+Cl"	33.962126
"546796"	156.567763	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M-H+Cl"	33.962126
"942714"	63.509963	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-H+Cl"	33.962126
"281788"	221.085002	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+Cl"	34.969402
"673478"	314.142802	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+Cl"	34.969402
"1287706"	128.027202	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Cl"	34.969402
"26256"	223.064206	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M-2H+K"	36.948606
"466910"	316.122006	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M-2H+K"	36.948606
"846536"	130.006406	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-2H+K"	36.948606
"1563829"	130.006406	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+K-2H"	36.948606
"953900"	138.055994	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-H+HCOOH"	44.998194
"374667"	231.113801	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+HCOOH-H"	44.998201
"356362"	245.129451	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+Hac-H"	59.013851
"1500455"	152.071651	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Hac-H"	59.013851
"970550"	160.037951	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-H+NaCOOH"	66.980151
"122007"	128.027202	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+2Cl"	69.938804
"559743"	174.556102	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+2Cl"	69.938804
"1035105"	81.498302	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2Cl"	69.938804
"1255416"	171.976685	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Br"	78.918885
"1313850"	174.032672	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Cl+HCOOH"	80.974872
"1330982"	196.014629	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Cl+NaCOOH"	102.956829
"915843"	206.043386	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M-H+CF3COOH"	112.985586
"1290367"	242.020064	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Cl+CF3COOH"	148.962264
"1370716"	58.045124	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H-2H2O"	-35.012676
"1388215"	76.0551	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H-H2O"	-17.0027
"293368"	187.122876	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+H"	1.007276
"690412"	280.180676	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+H"	1.007276
"1364330"	94.065076	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H"	1.007276
"140990"	94.065076	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+2H"	2.014552
"580436"	140.593976	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+2H"	2.014552
"1044496"	47.536176	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2H"	2.014552
"217500"	63.0458093333333	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+3H"	3.021828
"654874"	94.065076	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+3H"	3.021828
"1175552"	32.0265426666667	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+3H"	3.021828
"435178"	204.149423	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+NH4"	18.033823
"790338"	297.207223	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+NH4"	18.033823
"1687033"	111.091623	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+NH4"	18.033823
"332033"	102.5783495	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+H+NH4"	19.041099
"726639"	149.1072495	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+H+NH4"	19.041099
"1480462"	56.0494495	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H+NH4"	19.041099
"397319"	209.104818	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+Na"	22.989218
"760501"	302.162618	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+Na"	22.989218
"1606415"	116.047018	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Na"	22.989218
"318636"	105.056047	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+H+Na"	23.996494
"712152"	151.584947	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+H+Na"	23.996494
"1463788"	58.527147	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H+Na"	23.996494
"1058124"	39.3538566666667	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2H+Na"	25.00377
"1260898"	126.091286	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+CH3OH+H"	33.033486
"383846"	225.078758	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+K"	38.963158
"749218"	318.136558	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+K"	38.963158
"1552731"	132.020958	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+K"	38.963158
"309541"	113.043017	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+H+K"	39.970434
"701969"	159.571917	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+H+K"	39.970434
"1455790"	66.514117	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H+K"	39.970434
"245485"	228.149426	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+ACN+H"	42.033826
"1222567"	135.091626	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+ACN+H"	42.033826
"1205356"	68.049451	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+ACN+2H"	43.041102
"200415"	231.08676	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+2Na-H"	44.97116
"640341"	324.14456	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+2Na-H"	44.97116
"1138015"	138.02896	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2Na-H"	44.97116
"184948"	116.047018	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+2Na"	45.978436
"623779"	162.575918	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+2Na"	45.978436
"1131206"	69.518118	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2Na"	45.978436
"1412875"	46.6811706666667	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H+2Na"	46.985712
"1442560"	140.070546	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H+HCOOH"	47.012746
"228610"	121.08004	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+3H2O+2H"	56.04448
"1520682"	154.12259	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+IsoProp+H"	61.06479
"420369"	124.033988	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+Na+K"	61.952376
"783551"	170.562888	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+Na+K"	61.952376
"1678787"	77.505088	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Na+K"	61.952376
"266053"	250.131368	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+ACN+Na"	64.015768
"1239126"	157.073568	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+ACN+Na"	64.015768
"1728015"	157.097093	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+NH4+HCOOH"	64.039293
"1193610"	54.0084846666667	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+3Na"	68.967654
"1663989"	162.052488	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Na+HCOOH"	68.994688
"172308"	263.03464	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+2K-H"	76.91904
"611861"	356.09244	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+2K-H"	76.91904
"1098805"	169.97684	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2K-H"	76.91904
"154292"	132.020958	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"2M+2K"	77.926316
"593851"	178.549858	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"3M+2K"	77.926316
"1080913"	85.492058	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2K"	77.926316
"1110844"	171.991392	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2K+H"	78.933592
"1344678"	172.079007	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+DMSO+H"	79.021207
"1018308"	176.118176	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2ACN+H"	83.060376
"1536065"	177.111808	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+IsoProp+Na+H"	84.054008
"995953"	88.562726	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+2ACN+2H"	84.067652
"1591554"	178.026428	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+K+HCOOH"	84.968628
"1419402"	208.057938	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+H+CF3COOH"	115.000138
"1151877"	109.076001	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+3ACN+2H"	125.094202
"1705802"	225.084485	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+NH4+CF3COOH"	132.026685
"1644735"	230.03988	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+Na+CF3COOH"	136.98208
"1584761"	246.01382	"C00292"	"Aniline;Phenylamine;Benzenamine;Arylamine"	"C6H7N"	"93.0578"	"M+K+CF3COOH"	152.95602
"808566"	268.0808	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M"	0
"978818"	249.06241	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-H2O-H"	-19.01839
"71434"	177.713257333333	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M-3H"	-3.021828
"516466"	267.073524	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M-3H"	-3.021828
"892078"	88.3529906666667	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-3H"	-3.021828
"10656"	267.073524	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M-2H"	-2.014552
"444749"	401.113924	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M-2H"	-2.014552
"818298"	133.033124	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-2H"	-2.014552
"86918"	535.154324	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M-H"	-1.007276
"527573"	803.235124	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M-H"	-1.007276
"903187"	267.073524	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-H"	-1.007276
"55375"	552.180871	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M-2H+NH4"	16.019271
"489468"	820.261671	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M-2H+NH4"	16.019271
"869457"	284.100071	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-2H+NH4"	16.019271
"41731"	557.136266	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M-2H+Na"	20.974666
"480199"	825.217066	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M-2H+Na"	20.974666
"862376"	289.055466	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-2H+Na"	20.974666
"1630817"	289.055466	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Na-2H"	20.974666
"109537"	285.061863	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M-H+Cl"	33.962126
"546543"	419.102263	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M-H+Cl"	33.962126
"942661"	151.021463	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-H+Cl"	33.962126
"281897"	571.131002	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+Cl"	34.969402
"673588"	839.211802	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+Cl"	34.969402
"1285992"	303.050202	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Cl"	34.969402
"29647"	573.110206	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M-2H+K"	36.948606
"468480"	841.191006	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M-2H+K"	36.948606
"848332"	305.029406	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-2H+K"	36.948606
"1561753"	305.029406	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+K-2H"	36.948606
"957292"	313.078994	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-H+HCOOH"	44.998194
"376767"	581.159801	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+HCOOH-H"	44.998201
"355014"	595.175451	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+Hac-H"	59.013851
"1502753"	327.094651	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Hac-H"	59.013851
"970660"	335.060951	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-H+NaCOOH"	66.980151
"120293"	303.050202	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+2Cl"	69.938804
"562771"	437.090602	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+2Cl"	69.938804
"1030840"	169.009802	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2Cl"	69.938804
"1246045"	346.999685	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Br"	78.918885
"1313959"	349.055672	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Cl+HCOOH"	80.974872
"1322705"	371.037629	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Cl+NaCOOH"	102.956829
"914130"	381.066386	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M-H+CF3COOH"	112.985586
"1292663"	417.043064	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Cl+CF3COOH"	148.962264
"1369004"	233.068124	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H-2H2O"	-35.012676
"1392699"	251.0781	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H-H2O"	-17.0027
"293478"	537.168876	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+H"	1.007276
"686993"	805.249676	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+H"	1.007276
"1364440"	269.088076	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H"	1.007276
"140820"	269.088076	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+2H"	2.014552
"578726"	403.128476	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+2H"	2.014552
"1045700"	135.047676	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2H"	2.014552
"216518"	179.727809333333	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+3H"	3.021828
"654255"	269.088076	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+3H"	3.021828
"1176026"	90.3675426666667	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+3H"	3.021828
"434559"	554.195423	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+NH4"	18.033823
"790446"	822.276223	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+NH4"	18.033823
"1687143"	286.114623	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+NH4"	18.033823
"332506"	277.6013495	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+H+NH4"	19.041099
"728207"	411.6417495	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+H+NH4"	19.041099
"1481663"	143.5609495	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H+NH4"	19.041099
"397428"	559.150818	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+Na"	22.989218
"758424"	827.231618	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+Na"	22.989218
"1605432"	291.070018	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Na"	22.989218
"317653"	280.079047	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+H+Na"	23.996494
"710073"	414.119447	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+H+Na"	23.996494
"1466808"	146.038647	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H+Na"	23.996494
"1056048"	97.6948566666667	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2H+Na"	25.00377
"1259915"	301.114286	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+CH3OH+H"	33.033486
"382864"	575.124758	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+K"	38.963158
"746048"	843.205558	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+K"	38.963158
"1548101"	307.043958	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+K"	38.963158
"307464"	288.066017	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+H+K"	39.970434
"700987"	422.106417	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+H+K"	39.970434
"1452620"	154.025617	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H+K"	39.970434
"247783"	578.195426	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+ACN+H"	42.033826
"1223407"	310.114626	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+ACN+H"	42.033826
"1205466"	155.560951	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+ACN+2H"	43.041102
"199431"	581.13276	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+2Na-H"	44.97116
"637898"	849.21356	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+2Na-H"	44.97116
"1142133"	313.05196	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2Na-H"	44.97116
"186153"	291.070018	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+2Na"	45.978436
"624253"	425.110418	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+2Na"	45.978436
"1130926"	157.029618	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2Na"	45.978436
"1411647"	105.022170666667	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H+2Na"	46.985712
"1441211"	315.093546	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H+HCOOH"	47.012746
"228720"	296.10304	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+3H2O+2H"	56.04448
"1520063"	329.14559	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+IsoProp+H"	61.06479
"419750"	299.056988	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+Na+K"	61.952376
"782932"	433.097388	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+Na+K"	61.952376
"1678532"	165.016588	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Na+K"	61.952376
"266649"	600.177368	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+ACN+Na"	64.015768
"1241146"	332.096568	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+ACN+Na"	64.015768
"1728265"	332.120093	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+NH4+HCOOH"	64.039293
"1193922"	112.349484666667	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+3Na"	68.967654
"1665315"	337.075488	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Na+HCOOH"	68.994688
"171685"	613.08064	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+2K-H"	76.91904
"612702"	881.16144	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+2K-H"	76.91904
"1099281"	344.99984	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2K-H"	76.91904
"154400"	307.043958	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"2M+2K"	77.926316
"595054"	441.084358	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"3M+2K"	77.926316
"1083211"	173.003558	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2K"	77.926316
"1109496"	347.014392	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2K+H"	78.933592
"1345152"	347.102007	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+DMSO+H"	79.021207
"1017325"	351.141176	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2ACN+H"	83.060376
"1536175"	352.134808	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+IsoProp+Na+H"	84.054008
"1002624"	176.074226	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+2ACN+2H"	84.067652
"1592757"	353.049428	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+K+HCOOH"	84.968628
"1422792"	383.080938	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+H+CF3COOH"	115.000138
"1151987"	196.587501	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+3ACN+2H"	125.094202
"1698257"	400.107485	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+NH4+CF3COOH"	132.026685
"1644845"	405.06288	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+Na+CF3COOH"	136.98208
"1584871"	421.03682	"C00294"	"Inosine"	"C10H12N4O5"	"268.0808"	"M+K+CF3COOH"	152.95602
"810864"	156.0171	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M"	0
"989504"	136.99871	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-H2O-H"	-19.01839
"77382"	103.004124	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M-3H"	-3.021828
"516576"	155.009824	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M-3H"	-3.021828
"891095"	50.998424	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-3H"	-3.021828
"6392"	155.009824	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M-2H"	-2.014552
"448140"	233.018374	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M-2H"	-2.014552
"825944"	77.001274	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-2H"	-2.014552
"85935"	311.026924	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M-H"	-1.007276
"525495"	467.044024	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M-H"	-1.007276
"900016"	155.009824	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-H"	-1.007276
"57671"	328.053471	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M-2H+NH4"	16.019271
"495046"	484.070571	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M-2H+NH4"	16.019271
"873940"	172.036371	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-2H+NH4"	16.019271
"41841"	333.008866	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M-2H+Na"	20.974666
"482495"	489.025966	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M-2H+Na"	20.974666
"862486"	176.991766	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-2H+Na"	20.974666
"1629834"	176.991766	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Na-2H"	20.974666
"109528"	172.998163	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M-H+Cl"	33.962126
"547382"	251.006713	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M-H+Cl"	33.962126
"941267"	94.989613	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-H+Cl"	33.962126
"281766"	347.003602	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+Cl"	34.969402
"673456"	503.020702	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+Cl"	34.969402
"1287321"	190.986502	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Cl"	34.969402
"23191"	348.982806	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M-2H+K"	36.948606
"470409"	504.999906	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M-2H+K"	36.948606
"846024"	192.965706	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-2H+K"	36.948606
"1558579"	192.965706	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+K-2H"	36.948606
"948648"	201.015294	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-H+HCOOH"	44.998194
"366865"	357.032401	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+HCOOH-H"	44.998201
"350748"	371.048051	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+Hac-H"	59.013851
"1496301"	215.030951	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Hac-H"	59.013851
"962015"	222.997251	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-H+NaCOOH"	66.980151
"114205"	190.986502	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+2Cl"	69.938804
"554495"	268.995052	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+2Cl"	69.938804
"1028762"	112.977952	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2Cl"	69.938804
"1246153"	234.935985	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Br"	78.918885
"1314069"	236.991972	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Cl+HCOOH"	80.974872
"1320630"	258.973929	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Cl+NaCOOH"	102.956829
"912052"	269.002686	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M-H+CF3COOH"	112.985586
"1290588"	304.979364	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Cl+CF3COOH"	148.962264
"1370939"	121.004424	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H-2H2O"	-35.012676
"1384061"	139.0144	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H-H2O"	-17.0027
"298091"	313.041476	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+H"	1.007276
"689292"	469.058576	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+H"	1.007276
"1366964"	157.024376	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H"	1.007276
"141092"	157.024376	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+2H"	2.014552
"577379"	235.032926	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+2H"	2.014552
"1042165"	79.015826	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2H"	2.014552
"209337"	105.018676	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+3H"	3.021828
"656188"	157.024376	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+3H"	3.021828
"1168118"	53.012976	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+3H"	3.021828
"430291"	330.068023	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+NH4"	18.033823
"793474"	486.085123	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+NH4"	18.033823
"1685794"	174.050923	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+NH4"	18.033823
"334074"	165.5376495	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+H+NH4"	19.041099
"728683"	243.5461995	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+H+NH4"	19.041099
"1482141"	87.5290995	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H+NH4"	19.041099
"399725"	335.023418	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+Na"	22.989218
"758534"	491.040518	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+Na"	22.989218
"1606267"	179.006318	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Na"	22.989218
"317763"	168.015347	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+H+Na"	23.996494
"712370"	246.023897	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+H+Na"	23.996494
"1465461"	90.006797	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H+Na"	23.996494
"1054699"	60.34029	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2H+Na"	25.00377
"1257192"	189.050586	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+CH3OH+H"	33.033486
"389536"	350.997358	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+K"	38.963158
"749440"	507.014458	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+K"	38.963158
"1550399"	194.980258	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+K"	38.963158
"311952"	176.002317	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+H+K"	39.970434
"698909"	254.010867	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+H+K"	39.970434
"1450542"	97.993767	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H+K"	39.970434
"241330"	354.068026	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+ACN+H"	42.033826
"1215133"	198.050926	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+ACN+H"	42.033826
"1201203"	99.529101	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+ACN+2H"	43.041102
"196261"	357.00536	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+2Na-H"	44.97116
"639466"	513.02246	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+2Na-H"	44.97116
"1136046"	200.98826	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2Na-H"	44.97116
"179336"	179.006318	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+2Na"	45.978436
"628264"	257.014868	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+2Na"	45.978436
"1128598"	100.997768	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2Na"	45.978436
"1413222"	67.667604	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H+2Na"	46.985712
"1445376"	203.029846	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H+HCOOH"	47.012746
"232840"	184.03934	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+3H2O+2H"	56.04448
"1523457"	217.08189	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+IsoProp+H"	61.06479
"422657"	186.993288	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+Na+K"	61.952376
"783648"	265.001838	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+Na+K"	61.952376
"1679007"	108.984738	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Na+K"	61.952376
"266640"	376.049968	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+ACN+Na"	64.015768
"1240892"	220.032868	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+ACN+Na"	64.015768
"1727993"	220.056393	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+NH4+HCOOH"	64.039293
"1193588"	74.994918	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+3Na"	68.967654
"1664938"	225.011788	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Na+HCOOH"	68.994688
"172163"	388.95324	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+2K-H"	76.91904
"610990"	544.97034	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+2K-H"	76.91904
"1098057"	232.93614	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2K-H"	76.91904
"154504"	194.980258	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"2M+2K"	77.926316
"594803"	272.988808	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"3M+2K"	77.926316
"1082472"	116.971708	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2K"	77.926316
"1111064"	234.950692	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2K+H"	78.933592
"1343803"	235.038307	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+DMSO+H"	79.021207
"1016706"	239.077476	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2ACN+H"	83.060376
"1535194"	240.071108	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+IsoProp+Na+H"	84.054008
"1000550"	120.042376	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+2ACN+2H"	84.067652
"1590679"	240.985728	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+K+HCOOH"	84.968628
"1417435"	271.017238	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+H+CF3COOH"	115.000138
"1153191"	140.555651	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+3ACN+2H"	125.094202
"1703836"	288.043785	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+NH4+CF3COOH"	132.026685
"1642768"	292.99918	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+Na+CF3COOH"	136.98208
"1584981"	308.97312	"C00295"	"Orotate;Orotic acid;Uracil-6-carboxylic acid"	"C5H4N2O4"	"156.0171"	"M+K+CF3COOH"	152.95602
"808786"	192.0634	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M"	0
"979038"	173.04501	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-H2O-H"	-19.01839
"71655"	127.034990666667	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M-3H"	-3.021828
"518438"	191.056124	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M-3H"	-3.021828
"895625"	63.0138573333333	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-3H"	-3.021828
"7597"	191.056124	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M-2H"	-2.014552
"444970"	287.087824	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M-2H"	-2.014552
"827148"	95.024424	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-2H"	-2.014552
"83858"	383.119524	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M-H"	-1.007276
"528887"	575.182924	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M-H"	-1.007276
"906689"	191.056124	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-H"	-1.007276
"57781"	400.146071	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M-2H+NH4"	16.019271
"496250"	592.209471	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M-2H+NH4"	16.019271
"872959"	208.082671	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-2H+NH4"	16.019271
"43046"	405.101466	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M-2H+Na"	20.974666
"482605"	597.164866	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M-2H+Na"	20.974666
"863571"	213.038066	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-2H+Na"	20.974666
"1633224"	213.038066	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Na-2H"	20.974666
"108296"	209.044463	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M-H+Cl"	33.962126
"548585"	305.076163	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M-H+Cl"	33.962126
"939549"	113.012763	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-H+Cl"	33.962126
"282490"	419.096202	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+Cl"	34.969402
"674907"	611.159602	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+Cl"	34.969402
"1287313"	227.032802	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Cl"	34.969402
"30230"	421.075406	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M-2H+K"	36.948606
"467238"	613.138806	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M-2H+K"	36.948606
"845042"	229.012006	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-2H+K"	36.948606
"1559783"	229.012006	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+K-2H"	36.948606
"946936"	237.061594	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-H+HCOOH"	44.998194
"368069"	429.125001	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+HCOOH-H"	44.998201
"353045"	443.140651	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+Hac-H"	59.013851
"1495318"	251.077251	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Hac-H"	59.013851
"963950"	259.043551	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-H+NaCOOH"	66.980151
"113953"	227.032802	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+2Cl"	69.938804
"556794"	323.064502	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+2Cl"	69.938804
"1025594"	131.001102	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2Cl"	69.938804
"1254649"	270.982285	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Br"	78.918885
"1311993"	273.038272	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Cl+HCOOH"	80.974872
"1322563"	295.020229	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Cl+NaCOOH"	102.956829
"913990"	305.048986	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M-H+CF3COOH"	112.985586
"1291794"	341.025664	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Cl+CF3COOH"	148.962264
"1371049"	157.050724	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H-2H2O"	-35.012676
"1386359"	175.0607	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H-H2O"	-17.0027
"296982"	385.134076	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+H"	1.007276
"683934"	577.197476	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+H"	1.007276
"1367009"	193.070676	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H"	1.007276
"141298"	193.070676	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+2H"	2.014552
"577490"	289.102376	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+2H"	2.014552
"1041547"	97.038976	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2H"	2.014552
"211635"	129.049542666667	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+3H"	3.021828
"655569"	193.070676	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+3H"	3.021828
"1170415"	65.0284093333333	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+3H"	3.021828
"432224"	402.160623	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+NH4"	18.033823
"794678"	594.224023	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+NH4"	18.033823
"1685905"	210.097223	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+NH4"	18.033823
"333454"	201.5839495	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+H+NH4"	19.041099
"729524"	297.6156495	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+H+NH4"	19.041099
"1482252"	105.5522495	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H+NH4"	19.041099
"396558"	407.116018	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+Na"	22.989218
"757558"	599.179418	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+Na"	22.989218
"1607836"	215.052618	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Na"	22.989218
"317875"	204.061647	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+H+Na"	23.996494
"711393"	300.093347	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+H+Na"	23.996494
"1465214"	108.029947	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H+Na"	23.996494
"1058460"	72.3557233333333	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2H+Na"	25.00377
"1264513"	225.096886	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+CH3OH+H"	33.033486
"387461"	423.089958	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+K"	38.963158
"749918"	615.153358	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+K"	38.963158
"1549419"	231.026558	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+K"	38.963158
"312671"	212.048617	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+H+K"	39.970434
"692090"	308.080317	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+H+K"	39.970434
"1451744"	116.016917	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H+K"	39.970434
"244718"	426.160626	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+ACN+H"	42.033826
"1217428"	234.097226	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+ACN+H"	42.033826
"1205686"	117.552251	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+ACN+2H"	43.041102
"199652"	429.09796	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+2Na-H"	44.97116
"641398"	621.16136	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+2Na-H"	44.97116
"1139438"	237.03456	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2Na-H"	44.97116
"181634"	215.052618	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+2Na"	45.978436
"627393"	311.084318	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+2Na"	45.978436
"1130413"	119.020918	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2Na"	45.978436
"1412964"	79.6830373333333	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H+2Na"	46.985712
"1444358"	239.076146	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H+HCOOH"	47.012746
"233317"	220.08564	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+3H2O+2H"	56.04448
"1522841"	253.12819	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+IsoProp+H"	61.06479
"423748"	223.039588	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+Na+K"	61.952376
"784493"	319.071288	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+Na+K"	61.952376
"1679972"	127.007888	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Na+K"	61.952376
"266386"	448.142568	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+ACN+Na"	64.015768
"1241000"	256.079168	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+ACN+Na"	64.015768
"1727495"	256.102693	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+NH4+HCOOH"	64.039293
"1193578"	87.0103513333333	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+3Na"	68.967654
"1663593"	261.058088	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Na+HCOOH"	68.994688
"172273"	461.04584	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+2K-H"	76.91904
"611714"	653.10924	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+2K-H"	76.91904
"1098531"	268.98244	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2K-H"	76.91904
"155713"	231.026558	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"2M+2K"	77.926316
"595275"	327.058258	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"3M+2K"	77.926316
"1083432"	134.994858	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2K"	77.926316
"1110809"	270.996992	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2K+H"	78.933592
"1345006"	271.084607	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+DMSO+H"	79.021207
"1018639"	275.123776	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2ACN+H"	83.060376
"1534941"	276.117408	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+IsoProp+Na+H"	84.054008
"1001754"	138.065526	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+2ACN+2H"	84.067652
"1598441"	277.032028	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+K+HCOOH"	84.968628
"1421914"	307.063538	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+H+CF3COOH"	115.000138
"1154391"	158.578801	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+3ACN+2H"	125.094202
"1705037"	324.090085	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+NH4+CF3COOH"	132.026685
"1642878"	329.04548	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+Na+CF3COOH"	136.98208
"1585091"	345.01942	"C00296"	"Quinate;Quinic acid;Kinic acid;Chinic acid;L-Quinic acid;L-Quinate;(-)-Quinic acid"	"C7H12O6"	"192.0634"	"M+K+CF3COOH"	152.95602
"814366"	244.0695	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M"	0
"989320"	225.05111	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-H2O-H"	-19.01839
"76143"	161.705724	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M-3H"	-3.021828
"516433"	243.062224	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M-3H"	-3.021828
"886946"	80.349224	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-3H"	-3.021828
"10989"	243.062224	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M-2H"	-2.014552
"454317"	365.096974	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M-2H"	-2.014552
"831149"	121.027474	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-2H"	-2.014552
"91261"	487.131724	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M-H"	-1.007276
"532036"	731.201224	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M-H"	-1.007276
"907528"	243.062224	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-H"	-1.007276
"57891"	504.158271	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M-2H+NH4"	16.019271
"494172"	748.227771	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M-2H+NH4"	16.019271
"873432"	260.088771	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-2H+NH4"	16.019271
"40968"	509.113666	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M-2H+Na"	20.974666
"477250"	753.183166	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M-2H+Na"	20.974666
"859062"	265.044166	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-2H+Na"	20.974666
"1628959"	265.044166	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Na-2H"	20.974666
"102209"	261.050563	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M-H+Cl"	33.962126
"546873"	383.085313	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M-H+Cl"	33.962126
"941727"	139.015813	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-H+Cl"	33.962126
"281256"	523.108402	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+Cl"	34.969402
"673919"	767.177902	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+Cl"	34.969402
"1275392"	279.038902	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Cl"	34.969402
"25602"	525.087606	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M-2H+K"	36.948606
"459696"	769.157106	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M-2H+K"	36.948606
"836403"	281.018106	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-2H+K"	36.948606
"1558069"	281.018106	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+K-2H"	36.948606
"947775"	289.067694	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-H+HCOOH"	44.998194
"367084"	533.137201	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+HCOOH-H"	44.998201
"353154"	547.152851	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+Hac-H"	59.013851
"1496520"	303.083351	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Hac-H"	59.013851
"964061"	311.049651	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-H+NaCOOH"	66.980151
"115156"	279.038902	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+2Cl"	69.938804
"555810"	401.073652	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+2Cl"	69.938804
"1030077"	157.004152	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2Cl"	69.938804
"1246373"	322.988385	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Br"	78.918885
"1307363"	325.044372	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Cl+HCOOH"	80.974872
"1323037"	347.026329	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Cl+NaCOOH"	102.956829
"916284"	357.055086	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M-H+CF3COOH"	112.985586
"1292261"	393.031764	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Cl+CF3COOH"	148.962264
"1369694"	209.056824	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H-2H2O"	-35.012676
"1386098"	227.0668	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H-H2O"	-17.0027
"284080"	489.146276	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+H"	1.007276
"680761"	733.215776	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+H"	1.007276
"1363684"	245.076776	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H"	1.007276
"138763"	245.076776	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+2H"	2.014552
"581118"	367.111526	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+2H"	2.014552
"1039832"	123.042026	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2H"	2.014552
"211013"	163.720276	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+3H"	3.021828
"650208"	245.076776	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+3H"	3.021828
"1168699"	82.363776	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+3H"	3.021828
"431240"	506.172823	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+NH4"	18.033823
"792603"	750.242323	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+NH4"	18.033823
"1691121"	262.103323	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+NH4"	18.033823
"342681"	253.5900495	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+H+NH4"	19.041099
"731820"	375.6247995	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+H+NH4"	19.041099
"1484549"	131.5552995	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H+NH4"	19.041099
"394847"	511.128218	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+Na"	22.989218
"757664"	755.197718	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+Na"	22.989218
"1605760"	267.058718	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Na"	22.989218
"317985"	256.067747	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+H+Na"	23.996494
"720249"	378.102497	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+H+Na"	23.996494
"1467508"	134.032997	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H+Na"	23.996494
"1058570"	89.69109	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2H+Na"	25.00377
"1265716"	277.102986	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+CH3OH+H"	33.033486
"387571"	527.102158	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+K"	38.963158
"749660"	771.171658	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+K"	38.963158
"1540778"	283.032658	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+K"	38.963158
"306705"	264.054717	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+H+K"	39.970434
"694386"	386.089467	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+H+K"	39.970434
"1454040"	142.019967	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H+K"	39.970434
"244828"	530.172826	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+ACN+H"	42.033826
"1220816"	286.103326	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+ACN+H"	42.033826
"1202511"	143.555301	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+ACN+2H"	43.041102
"196476"	533.11016	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+2Na-H"	44.97116
"638224"	777.17966	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+2Na-H"	44.97116
"1141730"	289.04066	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2Na-H"	44.97116
"184658"	267.058718	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+2Na"	45.978436
"626650"	389.093468	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+2Na"	45.978436
"1119704"	145.023968	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2Na"	45.978436
"1411978"	97.018404	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H+2Na"	46.985712
"1443001"	291.082246	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H+HCOOH"	47.012746
"232696"	272.09174	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+3H2O+2H"	56.04448
"1522949"	305.13429	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+IsoProp+H"	61.06479
"422515"	275.045688	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+Na+K"	61.952376
"784863"	397.080438	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+Na+K"	61.952376
"1680707"	153.010938	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Na+K"	61.952376
"266488"	552.154768	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+ACN+Na"	64.015768
"1240537"	308.085268	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+ACN+Na"	64.015768
"1728047"	308.108793	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+NH4+HCOOH"	64.039293
"1193077"	104.345718	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+3Na"	68.967654
"1664187"	313.064188	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Na+HCOOH"	68.994688
"171050"	565.05804	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+2K-H"	76.91904
"609390"	809.12754	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+2K-H"	76.91904
"1093537"	320.98854	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2K-H"	76.91904
"153633"	283.032658	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"2M+2K"	77.926316
"588822"	405.067408	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"3M+2K"	77.926316
"1077708"	160.997908	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2K"	77.926316
"1108003"	323.003092	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2K+H"	78.933592
"1346210"	323.090707	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+DMSO+H"	79.021207
"1016927"	327.129876	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2ACN+H"	83.060376
"1533228"	328.123508	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+IsoProp+Na+H"	84.054008
"999675"	164.068576	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+2ACN+2H"	84.067652
"1597458"	329.038128	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+K+HCOOH"	84.968628
"1420932"	359.069638	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+H+CF3COOH"	115.000138
"1150129"	184.581851	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+3ACN+2H"	125.094202
"1705152"	376.096185	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+NH4+CF3COOH"	132.026685
"1636427"	381.05158	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+Na+CF3COOH"	136.98208
"1574265"	397.02552	"C00299"	"Uridine"	"C9H12N2O6"	"244.0695"	"M+K+CF3COOH"	152.95602
"816665"	131.0695	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M"	0
"989103"	112.05111	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-H2O-H"	-19.01839
"77346"	86.3723906666667	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M-3H"	-3.021828
"518207"	130.062224	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M-3H"	-3.021828
"887056"	42.6825573333333	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-3H"	-3.021828
"14016"	130.062224	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M-2H"	-2.014552
"451754"	195.596974	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M-2H"	-2.014552
"826274"	64.527474	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-2H"	-2.014552
"89547"	261.131724	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M-H"	-1.007276
"529108"	392.201224	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M-H"	-1.007276
"906909"	130.062224	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-H"	-1.007276
"58001"	278.158271	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M-2H+NH4"	16.019271
"495375"	409.227771	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M-2H+NH4"	16.019271
"874270"	147.088771	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-2H+NH4"	16.019271
"41078"	283.113666	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M-2H+Na"	20.974666
"476267"	414.183166	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M-2H+Na"	20.974666
"854069"	152.044166	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-2H+Na"	20.974666
"1627975"	152.044166	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Na-2H"	20.974666
"101225"	148.050563	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M-H+Cl"	33.962126
"540786"	213.585313	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M-H+Cl"	33.962126
"939770"	82.515813	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-H+Cl"	33.962126
"276139"	297.108402	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+Cl"	34.969402
"674029"	428.177902	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+Cl"	34.969402
"1276596"	166.038902	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Cl"	34.969402
"24619"	299.087606	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M-2H+K"	36.948606
"460900"	430.157106	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M-2H+K"	36.948606
"834692"	168.018106	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-2H+K"	36.948606
"1563283"	168.018106	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+K-2H"	36.948606
"947887"	176.067694	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-H+HCOOH"	44.998194
"367196"	307.137201	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+HCOOH-H"	44.998201
"354358"	321.152851	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+Hac-H"	59.013851
"1495537"	190.083351	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Hac-H"	59.013851
"964171"	198.049651	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-H+NaCOOH"	66.980151
"115266"	166.038902	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+2Cl"	69.938804
"557014"	231.573652	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+2Cl"	69.938804
"1031280"	100.504152	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2Cl"	69.938804
"1245391"	209.988385	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Br"	78.918885
"1310025"	212.044372	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Cl+HCOOH"	80.974872
"1323149"	234.026329	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Cl+NaCOOH"	102.956829
"916394"	244.055086	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M-H+CF3COOH"	112.985586
"1289820"	280.031764	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Cl+CF3COOH"	148.962264
"1369805"	96.056824	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H-2H2O"	-35.012676
"1385479"	114.0668	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H-H2O"	-17.0027
"284433"	263.146276	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+H"	1.007276
"678684"	394.215776	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+H"	1.007276
"1364887"	132.076776	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H"	1.007276
"140325"	132.076776	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+2H"	2.014552
"579156"	197.611526	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+2H"	2.014552
"1048320"	66.542026	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2H"	2.014552
"218046"	88.3869426666667	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+3H"	3.021828
"652507"	132.076776	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+3H"	3.021828
"1164068"	44.6971093333333	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+3H"	3.021828
"428434"	280.172823	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+NH4"	18.033823
"793439"	411.242323	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+NH4"	18.033823
"1690137"	149.103323	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+NH4"	18.033823
"336229"	140.5900495	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+H+NH4"	19.041099
"728649"	206.1247995	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+H+NH4"	19.041099
"1484656"	75.0552995	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H+NH4"	19.041099
"396773"	285.128218	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+Na"	22.989218
"758861"	416.197718	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+Na"	22.989218
"1603803"	154.058718	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Na"	22.989218
"319188"	143.067747	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+H+Na"	23.996494
"711607"	208.602497	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+H+Na"	23.996494
"1465430"	77.532997	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H+Na"	23.996494
"1060862"	52.0244233333333	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2H+Na"	25.00377
"1264728"	164.102986	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+CH3OH+H"	33.033486
"382210"	301.102158	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+K"	38.963158
"748674"	432.171658	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+K"	38.963158
"1544170"	170.032658	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+K"	38.963158
"299401"	151.054717	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+H+K"	39.970434
"695226"	216.589467	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+H+K"	39.970434
"1449774"	85.519967	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H+K"	39.970434
"242752"	304.172826	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+ACN+H"	42.033826
"1216555"	173.103326	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+ACN+H"	42.033826
"1200437"	87.055301	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+ACN+2H"	43.041102
"197680"	307.11016	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+2Na-H"	44.97116
"636151"	438.17966	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+2Na-H"	44.97116
"1137470"	176.04066	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2Na-H"	44.97116
"178572"	154.058718	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+2Na"	45.978436
"626881"	219.593468	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+2Na"	45.978436
"1121638"	88.523968	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2Na"	45.978436
"1409536"	59.3517373333333	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H+2Na"	46.985712
"1440924"	178.082246	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H+HCOOH"	47.012746
"230254"	159.09174	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+3H2O+2H"	56.04448
"1523706"	192.13429	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+IsoProp+H"	61.06479
"423107"	162.045688	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+Na+K"	61.952376
"785333"	227.580438	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+Na+K"	61.952376
"1679346"	96.510938	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Na+K"	61.952376
"266232"	326.154768	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+ACN+Na"	64.015768
"1238575"	195.085268	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+ACN+Na"	64.015768
"1727829"	195.108793	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+NH4+HCOOH"	64.039293
"1192819"	66.6790513333333	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+3Na"	68.967654
"1664903"	200.064188	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Na+HCOOH"	68.994688
"170302"	339.05804	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+2K-H"	76.91904
"608042"	470.12754	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+2K-H"	76.91904
"1094741"	207.98854	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2K-H"	76.91904
"151557"	170.032658	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"2M+2K"	77.926316
"587111"	235.567408	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"3M+2K"	77.926316
"1077090"	104.497908	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2K"	77.926316
"1107020"	210.003092	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2K+H"	78.933592
"1346320"	210.090707	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+DMSO+H"	79.021207
"1017037"	214.129876	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2ACN+H"	83.060376
"1530056"	215.123508	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+IsoProp+Na+H"	84.054008
"1001610"	107.568576	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+2ACN+2H"	84.067652
"1588822"	216.038128	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+K+HCOOH"	84.968628
"1418858"	246.069638	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+H+CF3COOH"	115.000138
"1148169"	128.081851	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+3ACN+2H"	125.094202
"1698699"	263.096185	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+NH4+CF3COOH"	132.026685
"1638724"	268.05158	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+Na+CF3COOH"	136.98208
"1572552"	284.02552	"C00300"	"Creatine;alpha-Methylguanidino acetic acid;Methylglycocyamine"	"C4H9N3O2"	"131.0695"	"M+K+CF3COOH"	152.95602
"816964"	559.0717	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M"	0
"989213"	540.05331	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-H2O-H"	-19.01839
"78477"	371.707190666667	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M-3H"	-3.021828
"518496"	558.064424	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M-3H"	-3.021828
"887166"	185.349957333333	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-3H"	-3.021828
"11210"	558.064424	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H"	-2.014552
"449677"	837.600274	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H"	-2.014552
"826384"	278.528574	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H"	-2.014552
"89657"	1117.136124	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M-H"	-1.007276
"531040"	1676.207824	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M-H"	-1.007276
"907019"	558.064424	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-H"	-1.007276
"58477"	1134.162671	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H+NH4"	16.019271
"495485"	1693.234371	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H+NH4"	16.019271
"870007"	575.090971	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H+NH4"	16.019271
"39001"	1139.118066	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H+Na"	20.974666
"483667"	1698.189766	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H+Na"	20.974666
"857460"	580.046366	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H+Na"	20.974666
"1631731"	580.046366	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na-2H"	20.974666
"104615"	576.052763	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M-H+Cl"	33.962126
"547093"	855.588613	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M-H+Cl"	33.962126
"939880"	296.516913	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+Cl"	33.962126
"277342"	1153.112802	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Cl"	34.969402
"674139"	1712.184502	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+Cl"	34.969402
"1279986"	594.041102	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl"	34.969402
"24730"	1155.092006	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H+K"	36.948606
"462104"	1714.163706	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H+K"	36.948606
"836624"	596.020306	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H+K"	36.948606
"1564487"	596.020306	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+K-2H"	36.948606
"950183"	604.069894	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+HCOOH"	44.998194
"368399"	1163.141601	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+HCOOH-H"	44.998201
"357748"	1177.157251	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Hac-H"	59.013851
"1495646"	618.085551	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Hac-H"	59.013851
"967560"	626.051851	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+NaCOOH"	66.980151
"117562"	594.041102	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2Cl"	69.938804
"557124"	873.576952	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2Cl"	69.938804
"1030297"	314.505252	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2Cl"	69.938804
"1247686"	637.990585	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Br"	78.918885
"1313415"	640.046572	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl+HCOOH"	80.974872
"1323259"	662.028529	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl+NaCOOH"	102.956829
"914317"	672.057286	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+CF3COOH"	112.985586
"1291025"	708.033964	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl+CF3COOH"	148.962264
"1370282"	524.059024	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H-2H2O"	-35.012676
"1384496"	542.069	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H-H2O"	-17.0027
"284543"	1119.150676	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H"	1.007276
"678794"	1678.222376	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H"	1.007276
"1364990"	560.078976	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H"	1.007276
"141040"	560.078976	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2H"	2.014552
"580722"	839.614826	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2H"	2.014552
"1051709"	280.543126	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2H"	2.014552
"218761"	373.721742666667	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+3H"	3.021828
"658452"	560.078976	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+3H"	3.021828
"1168917"	187.364509333333	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+3H"	3.021828
"431460"	1136.177223	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+NH4"	18.033823
"792822"	1695.248923	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+NH4"	18.033823
"1695349"	577.105523	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+NH4"	18.033823
"338525"	568.5922495	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H+NH4"	19.041099
"733133"	848.1280995	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H+NH4"	19.041099
"1489142"	289.0563995	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+NH4"	19.041099
"401256"	1141.132618	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Na"	22.989218
"758972"	1700.204318	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+Na"	22.989218
"1609259"	582.060918	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na"	22.989218
"321484"	571.069947	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H+Na"	23.996494
"711718"	850.605797	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H+Na"	23.996494
"1469914"	291.534097	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+Na"	23.996494
"1060972"	194.691823333333	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2H+Na"	25.00377
"1268483"	592.105186	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+CH3OH+H"	33.033486
"382320"	1157.106558	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+K"	38.963158
"751700"	1716.178258	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+K"	38.963158
"1544281"	598.034858	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+K"	38.963158
"304738"	579.056917	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H+K"	39.970434
"701532"	858.592767	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H+K"	39.970434
"1450978"	299.521067	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+K"	39.970434
"248330"	1160.177226	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+ACN+H"	42.033826
"1219945"	601.105526	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+ACN+H"	42.033826
"1206745"	301.056401	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+ACN+2H"	43.041102
"199614"	1163.11456	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2Na-H"	44.97116
"638446"	1722.18626	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2Na-H"	44.97116
"1138671"	604.04286	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2Na-H"	44.97116
"188364"	582.060918	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2Na"	45.978436
"622615"	861.596768	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2Na"	45.978436
"1122839"	302.525068	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2Na"	45.978436
"1406366"	202.019137333333	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+2Na"	46.985712
"1441762"	606.084446	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+HCOOH"	47.012746
"229270"	587.09394	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+3H2O+2H"	56.04448
"1520614"	620.13649	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+IsoProp+H"	61.06479
"421393"	590.047888	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Na+K"	61.952376
"785464"	869.583738	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+Na+K"	61.952376
"1681044"	310.512038	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na+K"	61.952376
"266220"	1182.159168	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+ACN+Na"	64.015768
"1239777"	623.087468	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+ACN+Na"	64.015768
"1727899"	623.110993	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+NH4+HCOOH"	64.039293
"1193658"	209.346451333333	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+3Na"	68.967654
"1665258"	628.066388	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na+HCOOH"	68.994688
"172479"	1195.06244	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2K-H"	76.91904
"606331"	1754.13414	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2K-H"	76.91904
"1095216"	635.99074	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2K-H"	76.91904
"154218"	598.034858	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2K"	77.926316
"587220"	877.570708	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2K"	77.926316
"1076107"	318.499008	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2K"	77.926316
"1107129"	638.005292	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2K+H"	78.933592
"1344607"	638.092907	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+DMSO+H"	79.021207
"1015325"	642.132076	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2ACN+H"	83.060376
"1532352"	643.125708	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+IsoProp+Na+H"	84.054008
"1001718"	321.569676	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+2ACN+2H"	84.067652
"1593305"	644.040328	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+K+HCOOH"	84.968628
"1418966"	674.071838	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+CF3COOH"	115.000138
"1148278"	342.082951	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+3ACN+2H"	125.094202
"1698809"	691.098385	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+NH4+CF3COOH"	132.026685
"1638834"	696.05378	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na+CF3COOH"	136.98208
"1572663"	712.02772	"C00301"	"ADP-ribose;ADP-D-ribose;Adenosine diphosphate ribose"	"C15H23N5O14P2"	"559.0717"	"M+K+CF3COOH"	152.95602
"816156"	147.0532	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M"	0
"987137"	128.03481	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"77083"	97.0281906666667	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"517130"	146.045924	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"881322"	48.0104573333333	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"1600"	146.045924	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"442496"	219.572524	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"822119"	72.519324	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"79925"	293.099124	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"522767"	440.152324	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"898381"	146.045924	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"54941"	310.125671	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"492315"	457.178871	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"867930"	163.072471	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"34738"	315.081066	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"474298"	462.134266	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"851010"	168.027866	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1619448"	168.027866	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"95978"	164.034263	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"542100"	237.560863	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"936709"	90.507663	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"275265"	329.075802	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"666593"	476.129002	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1279003"	182.022602	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"27027"	331.055006	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"462214"	478.108206	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"840017"	184.001806	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1563505"	184.001806	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"948107"	192.051394	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"368509"	339.104601	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"354578"	353.120251	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1495757"	206.067051	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"969857"	214.033351	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"114393"	182.022602	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"556141"	255.549202	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1031866"	108.496002	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1248890"	225.972085	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1309152"	228.028072	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1323368"	250.010029	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"914427"	260.038786	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1291499"	296.015464	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1368933"	112.040524	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1385334"	130.0505	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"285751"	295.113676	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"675866"	442.166876	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1354166"	148.060476	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"130335"	148.060476	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"573177"	221.587076	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1050726"	74.533876	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"216807"	99.0427426666667	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"657104"	148.060476	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1167205"	50.0250093333333	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"430842"	312.140223	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"791838"	459.193423	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1693637"	165.087023	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"340822"	156.5737495	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"734335"	230.1003495	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1489252"	83.0471495	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"401366"	317.095618	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"759082"	464.148818	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1609368"	170.042418	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"321594"	159.051447	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"712921"	232.578047	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1472211"	85.524847	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1056708"	57.3523233333333	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1269321"	180.086686	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"382430"	333.069558	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"751446"	480.122758	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1545485"	186.016358	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"299745"	167.038417	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"698363"	240.565017	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1451089"	93.511817	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"248805"	336.140226	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1220056"	189.087026	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1207584"	95.047151	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"198632"	339.07756	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"641839"	486.13076	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1139876"	192.02436	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"186691"	170.042418	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"622725"	243.569018	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1119670"	96.515818	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1406476"	64.6796373333333	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1440779"	194.065946	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"227193"	175.07544	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1519995"	208.11799	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"418222"	178.029388	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"785505"	251.555988	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1681257"	104.502788	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"263899"	358.122168	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1238430"	211.068968	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1727969"	211.092493	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1193405"	72.0069513333333	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1665001"	216.047888	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"171981"	371.02544	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"609721"	518.07864	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1096420"	223.97224	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"152144"	186.016358	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"585144"	259.542958	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1077311"	112.489758	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1107240"	225.986792	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1346905"	226.074407	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1017622"	230.113576	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1532462"	231.107208	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"1001099"	115.560426	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1588189"	232.021828	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1420169"	262.053338	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1147780"	136.073701	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1698915"	279.079885	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1635664"	284.03528	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1572409"	300.00922	"C00302"	"Glutamate;Glutaminic acid;2-Aminoglutaric acid"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"815904"	146.0691	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M"	0
"988710"	127.05071	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H2O-H"	-19.01839
"76951"	96.372124	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-3H"	-3.021828
"511776"	145.061824	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-3H"	-3.021828
"883015"	47.682424	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-3H"	-3.021828
"2681"	145.061824	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H"	-2.014552
"444429"	218.096374	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H"	-2.014552
"822231"	72.027274	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H"	-2.014552
"82223"	291.130924	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-H"	-1.007276
"522879"	437.200024	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-H"	-1.007276
"898491"	145.061824	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H"	-1.007276
"55057"	308.157471	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+NH4"	16.019271
"493523"	454.226571	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+NH4"	16.019271
"870232"	162.088371	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+NH4"	16.019271
"39228"	313.112866	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+Na"	20.974666
"476600"	459.181966	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+Na"	20.974666
"851850"	167.043766	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+Na"	20.974666
"1621022"	167.043766	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na-2H"	20.974666
"98280"	163.050163	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-H+Cl"	33.962126
"536382"	236.084713	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-H+Cl"	33.962126
"935729"	90.015613	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+Cl"	33.962126
"275380"	327.107602	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Cl"	34.969402
"667801"	473.176702	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Cl"	34.969402
"1279113"	181.038502	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl"	34.969402
"20577"	329.086806	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+K"	36.948606
"457951"	475.155906	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+K"	36.948606
"840126"	183.017706	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+K"	36.948606
"1560335"	183.017706	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K-2H"	36.948606
"951499"	191.067294	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+HCOOH"	44.998194
"368621"	337.136401	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+HCOOH-H"	44.998201
"353596"	351.152051	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Hac-H"	59.013851
"1501335"	205.082951	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Hac-H"	59.013851
"967782"	213.049251	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+NaCOOH"	66.980151
"112682"	181.038502	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Cl"	69.938804
"555159"	254.073052	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Cl"	69.938804
"1023957"	108.003952	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Cl"	69.938804
"1247914"	224.987985	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Br"	78.918885
"1305986"	227.043972	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+HCOOH"	80.974872
"1321659"	249.025929	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+NaCOOH"	102.956829
"913444"	259.054686	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+CF3COOH"	112.985586
"1296717"	295.031364	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+CF3COOH"	148.962264
"1371597"	111.056424	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H-2H2O"	-35.012676
"1386908"	129.0664	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H-H2O"	-17.0027
"285496"	293.145476	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H"	1.007276
"680113"	439.214576	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H"	1.007276
"1361940"	147.076376	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H"	1.007276
"137016"	147.076376	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2H"	2.014552
"573295"	220.110926	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2H"	2.014552
"1039909"	74.041826	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2H"	2.014552
"207078"	98.386676	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+3H"	3.021828
"645908"	147.076376	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+3H"	3.021828
"1165129"	49.696976	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3H"	3.021828
"426945"	310.172023	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+NH4"	18.033823
"786483"	456.241123	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+NH4"	18.033823
"1683178"	164.102923	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4"	18.033823
"332187"	155.5896495	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+NH4"	19.041099
"725701"	228.6241995	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+NH4"	19.041099
"1480616"	82.5550995	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+NH4"	19.041099
"394922"	315.127418	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Na"	22.989218
"755188"	461.196518	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Na"	22.989218
"1604381"	169.058318	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na"	22.989218
"316242"	158.067347	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+Na"	23.996494
"711944"	231.101897	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+Na"	23.996494
"1469048"	85.032797	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+Na"	23.996494
"1053058"	57.02429	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2H+Na"	25.00377
"1261784"	179.102586	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+CH3OH+H"	33.033486
"377927"	331.101358	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+K"	38.963158
"741354"	477.170458	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+K"	38.963158
"1542677"	185.032258	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K"	38.963158
"299043"	166.054317	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+K"	39.970434
"695556"	239.088867	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+K"	39.970434
"1451200"	93.019767	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+K"	39.970434
"246361"	334.172026	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+ACN+H"	42.033826
"1217977"	188.102926	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+H"	42.033826
"1201860"	94.555101	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+2H"	43.041102
"193639"	337.10936	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Na-H"	44.97116
"636480"	483.17846	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Na-H"	44.97116
"1139986"	191.04026	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Na-H"	44.97116
"177808"	169.058318	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Na"	45.978436
"620649"	242.092868	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Na"	45.978436
"1124156"	96.023768	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Na"	45.978436
"1409867"	64.351604	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+2Na"	46.985712
"1443078"	193.081846	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+HCOOH"	47.012746
"232774"	174.09134	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+3H2O+2H"	56.04448
"1519742"	207.13389	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+IsoProp+H"	61.06479
"422717"	177.045288	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Na+K"	61.952376
"781162"	250.079838	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Na+K"	61.952376
"1676033"	104.010738	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+K"	61.952376
"261459"	356.153968	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+ACN+Na"	64.015768
"1239637"	210.084868	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+Na"	64.015768
"1721597"	210.108393	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4+HCOOH"	64.039293
"1189139"	71.678918	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3Na"	68.967654
"1658669"	215.063788	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+HCOOH"	68.994688
"162614"	369.05724	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2K-H"	76.91904
"605091"	515.12634	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2K-H"	76.91904
"1091793"	222.98814	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K-H"	76.91904
"148606"	185.032258	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2K"	77.926316
"584157"	258.066808	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2K"	77.926316
"1070856"	111.997708	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K"	77.926316
"1104065"	225.002692	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K+H"	78.933592
"1345190"	225.090307	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+DMSO+H"	79.021207
"1016636"	229.129476	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2ACN+H"	83.060376
"1532938"	230.123108	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+IsoProp+Na+H"	84.054008
"994647"	115.068376	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2ACN+2H"	84.067652
"1591337"	231.037728	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K+HCOOH"	84.968628
"1419186"	261.069238	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+CF3COOH"	115.000138
"1152756"	135.581651	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3ACN+2H"	125.094202
"1699027"	278.095785	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4+CF3COOH"	132.026685
"1636867"	283.05118	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+CF3COOH"	136.98208
"1572519"	299.02512	"C00303"	"Glutamine;2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K+CF3COOH"	152.95602
"813823"	23.985	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M"	0
"989422"	4.96661	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-H2O-H"	-19.01839
"72321"	14.982724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M-3H"	-3.021828
"507510"	22.977724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M-3H"	-3.021828
"887500"	6.987724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-3H"	-3.021828
"13729"	22.977724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M-2H"	-2.014552
"443809"	34.970224	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M-2H"	-2.014552
"820155"	10.985224	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-2H"	-2.014552
"82334"	46.962724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M-H"	-1.007276
"525175"	70.947724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M-H"	-1.007276
"902977"	22.977724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-H"	-1.007276
"59540"	63.989271	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M-2H+NH4"	16.019271
"496917"	87.974271	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M-2H+NH4"	16.019271
"869247"	40.004271	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-2H+NH4"	16.019271
"33867"	68.944666	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M-2H+Na"	20.974666
"477804"	92.929666	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M-2H+Na"	20.974666
"851599"	44.959666	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-2H+Na"	20.974666
"1619429"	44.959666	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Na-2H"	20.974666
"95591"	40.966063	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M-H+Cl"	33.962126
"536859"	52.958563	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M-H+Cl"	33.962126
"928547"	28.973563	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-H+Cl"	33.962126
"272211"	82.939402	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+Cl"	34.969402
"663168"	106.924402	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+Cl"	34.969402
"1278133"	58.954402	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Cl"	34.969402
"25063"	84.918606	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M-2H+K"	36.948606
"465715"	108.903606	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M-2H+K"	36.948606
"839144"	60.933606	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-2H+K"	36.948606
"1558260"	60.933606	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+K-2H"	36.948606
"955986"	68.983194	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-H+HCOOH"	44.998194
"368731"	92.968201	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+HCOOH-H"	44.998201
"351521"	106.983851	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+Hac-H"	59.013851
"1504725"	82.998851	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Hac-H"	59.013851
"962429"	90.965151	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-H+NaCOOH"	66.980151
"112430"	58.954402	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+2Cl"	69.938804
"551261"	70.946902	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+2Cl"	69.938804
"1026259"	46.961902	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2Cl"	69.938804
"1243648"	102.903885	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Br"	78.918885
"1308284"	104.959872	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Cl+HCOOH"	80.974872
"1325781"	126.941829	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Cl+NaCOOH"	102.956829
"915745"	136.970586	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M-H+CF3COOH"	112.985586
"1295734"	172.947264	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Cl+CF3COOH"	148.962264
"1370618"	-11.027676	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H-2H2O"	-35.012676
"1385926"	6.9823	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H-H2O"	-17.0027
"291083"	48.977276	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+H"	1.007276
"680228"	72.962276	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+H"	1.007276
"1354390"	24.992276	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H"	1.007276
"126795"	24.992276	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+2H"	2.014552
"570125"	36.984776	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+2H"	2.014552
"1037660"	12.999776	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2H"	2.014552
"204879"	16.997276	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+3H"	3.021828
"644800"	24.992276	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+3H"	3.021828
"1163415"	9.002276	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+3H"	3.021828
"424984"	66.003823	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+NH4"	18.033823
"786467"	89.988823	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+NH4"	18.033823
"1683651"	42.018823	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+NH4"	18.033823
"331204"	33.5055495	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+H+NH4"	19.041099
"726904"	45.4980495	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+H+NH4"	19.041099
"1478534"	21.5130495	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H+NH4"	19.041099
"395032"	70.959218	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+Na"	22.989218
"757485"	94.944218	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+Na"	22.989218
"1605220"	46.974218	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Na"	22.989218
"319633"	35.983247	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+H+Na"	23.996494
"713148"	47.975747	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+H+Na"	23.996494
"1464783"	23.990747	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H+Na"	23.996494
"1056935"	16.32959	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2H+Na"	25.00377
"1259343"	57.018486	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+CH3OH+H"	33.033486
"378039"	86.933158	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+K"	38.963158
"740005"	110.918158	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+K"	38.963158
"1540723"	62.948158	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+K"	38.963158
"300694"	43.970217	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+H+K"	39.970434
"693114"	55.962717	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+H+K"	39.970434
"1452402"	31.977717	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H+K"	39.970434
"241004"	90.003826	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+ACN+H"	42.033826
"1211767"	66.018826	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+ACN+H"	42.033826
"1198689"	33.513051	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+ACN+2H"	43.041102
"192652"	92.94116	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+2Na-H"	44.97116
"633309"	116.92616	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+2Na-H"	44.97116
"1143375"	68.95616	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2Na-H"	44.97116
"182293"	46.974218	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+2Na"	45.978436
"627200"	58.966718	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+2Na"	45.978436
"1125360"	34.981718	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2Na"	45.978436
"1412164"	23.656904	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H+2Na"	46.985712
"1443556"	70.997746	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H+HCOOH"	47.012746
"231789"	52.00724	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+3H2O+2H"	56.04448
"1523141"	85.04979	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+IsoProp+H"	61.06479
"417725"	54.961188	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+Na+K"	61.952376
"779452"	66.953688	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+Na+K"	61.952376
"1677602"	42.968688	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Na+K"	61.952376
"263027"	111.985768	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+ACN+Na"	64.015768
"1238288"	88.000768	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+ACN+Na"	64.015768
"1726812"	88.024293	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+NH4+HCOOH"	64.039293
"1189614"	30.984218	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+3Na"	68.967654
"1661329"	92.979688	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Na+HCOOH"	68.994688
"165275"	124.88904	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+2K-H"	76.91904
"607389"	148.87404	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+2K-H"	76.91904
"1092268"	100.90404	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2K-H"	76.91904
"149814"	62.948158	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"2M+2K"	77.926316
"589740"	74.940658	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"3M+2K"	77.926316
"1071087"	50.955658	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2K"	77.926316
"1107459"	102.918592	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2K+H"	78.933592
"1345301"	103.006207	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+DMSO+H"	79.021207
"1014559"	107.045376	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2ACN+H"	83.060376
"1528310"	108.039008	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+IsoProp+Na+H"	84.054008
"995852"	54.026326	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+2ACN+2H"	84.067652
"1589260"	108.953628	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+K+HCOOH"	84.968628
"1414175"	138.985138	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+H+CF3COOH"	115.000138
"1147518"	74.539601	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+3ACN+2H"	125.094202
"1697194"	156.011685	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+NH4+CF3COOH"	132.026685
"1634382"	160.96708	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+Na+CF3COOH"	136.98208
"1585754"	176.94102	"C00305"	"Magnesium cation;Mg2;Magnesium(2);Magnesium ion"	"Mg"	"23.985"	"M+K+CF3COOH"	152.95602
"813933"	1059.5614	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M"	0
"989784"	1040.54301	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-H2O-H"	-19.01839
"69152"	705.366990666667	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M-3H"	-3.021828
"507620"	1058.554124	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M-3H"	-3.021828
"894170"	352.179857333333	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-3H"	-3.021828
"13839"	1058.554124	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M-2H"	-2.014552
"444648"	1588.334824	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M-2H"	-2.014552
"820265"	528.773424	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-2H"	-2.014552
"82444"	2118.115524	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M-H"	-1.007276
"529659"	3177.676924	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M-H"	-1.007276
"909648"	1058.554124	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-H"	-1.007276
"60743"	2135.142071	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M-2H+NH4"	16.019271
"498120"	3194.703471	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M-2H+NH4"	16.019271
"868631"	1075.580671	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-2H+NH4"	16.019271
"39447"	2140.097466	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M-2H+Na"	20.974666
"476821"	3199.658866	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M-2H+Na"	20.974666
"850489"	1080.536066	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-2H+Na"	20.974666
"1619903"	1080.536066	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Na-2H"	20.974666
"96067"	1076.542463	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M-H+Cl"	33.962126
"538055"	1606.323163	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M-H+Cl"	33.962126
"930846"	546.761763	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-H+Cl"	33.962126
"270491"	2154.092202	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+Cl"	34.969402
"665836"	3213.653602	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+Cl"	34.969402
"1283709"	1094.530802	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Cl"	34.969402
"18606"	2156.071406	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M-2H+K"	36.948606
"462544"	3215.632806	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M-2H+K"	36.948606
"840345"	1096.510006	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-2H+K"	36.948606
"1560552"	1096.510006	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+K-2H"	36.948606
"956825"	1104.559594	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-H+HCOOH"	44.998194
"369934"	2164.121001	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+HCOOH-H"	44.998201
"354910"	2178.136651	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+Hac-H"	59.013851
"1497181"	1118.575251	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Hac-H"	59.013851
"962537"	1126.541551	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-H+NaCOOH"	66.980151
"115820"	1094.530802	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+2Cl"	69.938804
"551856"	1624.311502	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+2Cl"	69.938804
"1024177"	564.750102	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2Cl"	69.938804
"1245944"	1138.480285	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Br"	78.918885
"1309487"	1140.536272	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Cl+HCOOH"	80.974872
"1323703"	1162.518229	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Cl+NaCOOH"	102.956829
"915855"	1172.546986	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M-H+CF3COOH"	112.985586
"1296937"	1208.523664	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Cl+CF3COOH"	148.962264
"1374007"	1024.548724	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H-2H2O"	-35.012676
"1386036"	1042.5587	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H-H2O"	-17.0027
"285722"	2120.130076	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+H"	1.007276
"680337"	3179.691476	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+H"	1.007276
"1353404"	1060.568676	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H"	1.007276
"128487"	1060.568676	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+2H"	2.014552
"569505"	1590.349376	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+2H"	2.014552
"1037814"	530.787976	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2H"	2.014552
"206570"	707.381542666667	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+3H"	3.021828
"646130"	1060.568676	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+3H"	3.021828
"1164982"	354.194409333333	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+3H"	3.021828
"426067"	2137.156623	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+NH4"	18.033823
"787186"	3196.718023	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+NH4"	18.033823
"1683395"	1077.595223	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+NH4"	18.033823
"332405"	1069.0819495	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+H+NH4"	19.041099
"725557"	1598.8626495	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+H+NH4"	19.041099
"1479373"	539.3012495	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H+NH4"	19.041099
"395142"	2142.112018	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+Na"	22.989218
"757595"	3201.673418	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+Na"	22.989218
"1606423"	1082.550618	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Na"	22.989218
"320836"	1071.559647	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+H+Na"	23.996494
"714351"	1601.340347	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+H+Na"	23.996494
"1468172"	541.778947	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H+Na"	23.996494
"1060324"	361.521723333333	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2H+Na"	25.00377
"1262368"	1092.594886	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+CH3OH+H"	33.033486
"380214"	2158.085958	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+K"	38.963158
"739872"	3217.647358	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+K"	38.963158
"1542899"	1098.524558	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+K"	38.963158
"302626"	1079.546617	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+H+K"	39.970434
"694318"	1609.327317	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+H+K"	39.970434
"1453605"	549.765917	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H+K"	39.970434
"241113"	2161.156626	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+ACN+H"	42.033826
"1217102"	1101.595226	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+ACN+H"	42.033826
"1200984"	551.301251	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+ACN+2H"	43.041102
"192764"	2164.09396	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+2Na-H"	44.97116
"638885"	3223.65536	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+2Na-H"	44.97116
"1143485"	1104.53256	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2Na-H"	44.97116
"183496"	1082.550618	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+2Na"	45.978436
"624149"	1612.331318	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+2Na"	45.978436
"1128750"	552.769918	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2Na"	45.978436
"1413246"	368.849037333333	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H+2Na"	46.985712
"1445453"	1106.574146	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H+HCOOH"	47.012746
"235186"	1087.58364	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+3H2O+2H"	56.04448
"1522887"	1120.62619	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+IsoProp+H"	61.06479
"418928"	1090.537588	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+Na+K"	61.952376
"780289"	1620.318288	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+Na+K"	61.952376
"1678073"	560.756888	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Na+K"	61.952376
"263865"	2183.138568	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+ACN+Na"	64.015768
"1238031"	1123.577168	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+ACN+Na"	64.015768
"1726193"	1123.600693	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+NH4+HCOOH"	64.039293
"1188993"	376.176351333333	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+3Na"	68.967654
"1660710"	1128.556088	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Na+HCOOH"	68.994688
"166112"	2196.04184	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+2K-H"	76.91904
"606769"	3255.60324	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+2K-H"	76.91904
"1092377"	1136.48044	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2K-H"	76.91904
"148830"	1098.524558	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"2M+2K"	77.926316
"587662"	1628.305258	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"3M+2K"	77.926316
"1074360"	568.743858	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2K"	77.926316
"1107566"	1138.494992	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2K+H"	78.933592
"1343952"	1138.582607	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+DMSO+H"	79.021207
"1014669"	1142.621776	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2ACN+H"	83.060376
"1530606"	1143.615408	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+IsoProp+Na+H"	84.054008
"995960"	571.814526	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+2ACN+2H"	84.067652
"1593744"	1144.530028	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+K+HCOOH"	84.968628
"1416488"	1174.561538	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+H+CF3COOH"	115.000138
"1149695"	592.327801	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+3ACN+2H"	125.094202
"1698153"	1191.588085	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+NH4+CF3COOH"	132.026685
"1634574"	1196.54348	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+Na+CF3COOH"	136.98208
"1585864"	1212.51742	"C00306"	"Bradykinin"	"C50H73N15O11"	"1059.5614"	"M+K+CF3COOH"	152.95602
"815136"	488.1073	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M"	0
"986124"	469.08891	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-H2O-H"	-19.01839
"65982"	324.397590666667	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M-3H"	-3.021828
"502885"	487.100024	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M-3H"	-3.021828
"883343"	161.695157333333	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-3H"	-3.021828
"3012"	487.100024	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M-2H"	-2.014552
"443667"	731.153674	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M-2H"	-2.014552
"822559"	243.046374	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-2H"	-2.014552
"83646"	975.207324	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M-H"	-1.007276
"521016"	1463.314624	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M-H"	-1.007276
"898089"	487.100024	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-H"	-1.007276
"54291"	992.233871	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M-2H+NH4"	16.019271
"489475"	1480.341171	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M-2H+NH4"	16.019271
"868377"	504.126571	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-2H+NH4"	16.019271
"36277"	997.189266	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M-2H+Na"	20.974666
"474744"	1485.296566	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M-2H+Na"	20.974666
"849996"	509.081966	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-2H+Na"	20.974666
"1619526"	509.081966	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Na-2H"	20.974666
"95692"	505.088363	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M-H+Cl"	33.962126
"537072"	749.142013	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M-H+Cl"	33.962126
"930591"	261.034713	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-H+Cl"	33.962126
"269872"	1011.184002	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+Cl"	34.969402
"665946"	1499.291302	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+Cl"	34.969402
"1282726"	523.076702	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Cl"	34.969402
"19082"	1013.163206	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M-2H+K"	36.948606
"462654"	1501.270506	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M-2H+K"	36.948606
"840455"	525.055906	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-2H+K"	36.948606
"1566129"	525.055906	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+K-2H"	36.948606
"952924"	533.105494	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-H+HCOOH"	44.998194
"373325"	1021.212801	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+HCOOH-H"	44.998201
"355020"	1035.228451	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+Hac-H"	59.013851
"1497291"	547.121151	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Hac-H"	59.013851
"959731"	555.087451	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-H+NaCOOH"	66.980151
"113014"	523.076702	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+2Cl"	69.938804
"551602"	767.130352	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+2Cl"	69.938804
"1025380"	279.023052	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2Cl"	69.938804
"1246054"	567.026185	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Br"	78.918885
"1308504"	569.082172	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Cl+HCOOH"	80.974872
"1323813"	591.064129	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Cl+NaCOOH"	102.956829
"915965"	601.092886	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M-H+CF3COOH"	112.985586
"1297047"	637.069564	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Cl+CF3COOH"	148.962264
"1373024"	453.094624	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H-2H2O"	-35.012676
"1386146"	471.1046	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H-H2O"	-17.0027
"284739"	977.221876	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+H"	1.007276
"677165"	1465.329176	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+H"	1.007276
"1356791"	489.114576	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H"	1.007276
"136249"	489.114576	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+2H"	2.014552
"573622"	733.168226	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+2H"	2.014552
"1037439"	245.060926	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2H"	2.014552
"206314"	326.412142666667	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+3H"	3.021828
"645509"	489.114576	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+3H"	3.021828
"1162985"	163.709709333333	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+3H"	3.021828
"425449"	994.248423	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+NH4"	18.033823
"786445"	1482.355723	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+NH4"	18.033823
"1682046"	506.141123	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+NH4"	18.033823
"331422"	497.6278495	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+H+NH4"	19.041099
"727126"	741.6814995	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+H+NH4"	19.041099
"1477784"	253.5741995	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H+NH4"	19.041099
"393792"	999.203818	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+Na"	22.989218
"754910"	1487.311118	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+Na"	22.989218
"1606533"	511.096518	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Na"	22.989218
"319852"	500.105547	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+H+Na"	23.996494
"711182"	744.159197	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+H+Na"	23.996494
"1468282"	256.051897	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H+Na"	23.996494
"1058247"	171.037023333333	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2H+Na"	25.00377
"1259197"	521.140786	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+CH3OH+H"	33.033486
"380324"	1015.177758	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+K"	38.963158
"738843"	1503.285058	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+K"	38.963158
"1541549"	527.070458	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+K"	38.963158
"302007"	508.092517	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+H+K"	39.970434
"693698"	752.146167	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+H+K"	39.970434
"1450435"	264.038867	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H+K"	39.970434
"240129"	1018.248426	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+ACN+H"	42.033826
"1215025"	530.141126	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+ACN+H"	42.033826
"1200003"	265.574201	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+ACN+2H"	43.041102
"192873"	1021.18576	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+2Na-H"	44.97116
"636808"	1509.29306	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+2Na-H"	44.97116
"1140314"	533.07846	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2Na-H"	44.97116
"182512"	511.096518	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+2Na"	45.978436
"624259"	755.150168	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+2Na"	45.978436
"1126673"	267.042868	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2Na"	45.978436
"1412993"	178.364337333333	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H+2Na"	46.985712
"1444511"	535.120046	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H+HCOOH"	47.012746
"235456"	516.12954	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+3H2O+2H"	56.04448
"1522633"	549.17209	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+IsoProp+H"	61.06479
"417580"	519.083488	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+Na+K"	61.952376
"778576"	763.137138	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+Na+K"	61.952376
"1678183"	275.029838	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Na+K"	61.952376
"264338"	1040.230368	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+ACN+Na"	64.015768
"1236684"	552.123068	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+ACN+Na"	64.015768
"1726666"	552.146593	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+NH4+HCOOH"	64.039293
"1190197"	185.691651333333	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+3Na"	68.967654
"1662278"	557.101988	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Na+HCOOH"	68.994688
"165129"	1053.13364	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+2K-H"	76.91904
"606879"	1541.24094	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+2K-H"	76.91904
"1092487"	565.02634	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2K-H"	76.91904
"150398"	527.070458	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"2M+2K"	77.926316
"589957"	771.124108	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"3M+2K"	77.926316
"1072283"	283.016808	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2K"	77.926316
"1105491"	567.040892	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2K+H"	78.933592
"1347342"	567.128507	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+DMSO+H"	79.021207
"1014779"	571.167676	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2ACN+H"	83.060376
"1535091"	572.161308	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+IsoProp+Na+H"	84.054008
"996070"	286.087476	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+2ACN+2H"	84.067652
"1592760"	573.075928	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+K+HCOOH"	84.968628
"1418422"	603.107438	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+H+CF3COOH"	115.000138
"1149076"	306.600751	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+3ACN+2H"	125.094202
"1697169"	620.133985	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+NH4+CF3COOH"	132.026685
"1634523"	625.08938	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+Na+CF3COOH"	136.98208
"1585974"	641.06332	"C00307"	"CDP-choline;Cytidine 5-diphosphocholine;Citicoline"	"C14H26N4O11P2"	"488.1073"	"M+K+CF3COOH"	152.95602
"815246"	176.0909	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M"	0
"987692"	157.07251	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-H2O-H"	-19.01839
"68279"	116.386657333333	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M-3H"	-3.021828
"503057"	175.083624	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M-3H"	-3.021828
"882361"	57.6896906666667	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-3H"	-3.021828
"2028"	175.083624	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M-2H"	-2.014552
"445964"	263.129074	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M-2H"	-2.014552
"821577"	87.038174	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-2H"	-2.014552
"83026"	351.174524	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M-H"	-1.007276
"522222"	527.265424	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M-H"	-1.007276
"897835"	175.083624	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-H"	-1.007276
"50754"	368.201071	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M-2H+NH4"	16.019271
"488976"	544.291971	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M-2H+NH4"	16.019271
"871763"	192.110171	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-2H+NH4"	16.019271
"42945"	373.156466	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M-2H+Na"	20.974666
"477405"	549.247366	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M-2H+Na"	20.974666
"850471"	197.065566	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-2H+Na"	20.974666
"1618593"	197.065566	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Na-2H"	20.974666
"95437"	193.071963	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M-H+Cl"	33.962126
"535237"	281.117413	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M-H+Cl"	33.962126
"929608"	105.026513	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-H+Cl"	33.962126
"267920"	387.151202	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+Cl"	34.969402
"666056"	563.242102	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+Cl"	34.969402
"1285752"	211.060302	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Cl"	34.969402
"25389"	389.130406	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M-2H+K"	36.948606
"464951"	565.221306	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M-2H+K"	36.948606
"839472"	213.039506	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-2H+K"	36.948606
"1566239"	213.039506	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+K-2H"	36.948606
"951941"	221.089094	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-H+HCOOH"	44.998194
"373435"	397.180001	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+HCOOH-H"	44.998201
"351851"	411.195651	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+Hac-H"	59.013851
"1497401"	235.104751	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Hac-H"	59.013851
"960569"	243.071051	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-H+NaCOOH"	66.980151
"113124"	211.060302	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+2Cl"	69.938804
"551591"	299.105752	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+2Cl"	69.938804
"1024761"	123.014852	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2Cl"	69.938804
"1246167"	255.009785	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Br"	78.918885
"1310802"	257.065772	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Cl+HCOOH"	80.974872
"1322830"	279.047729	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Cl+NaCOOH"	102.956829
"919357"	289.076486	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M-H+CF3COOH"	112.985586
"1296064"	325.053164	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Cl+CF3COOH"	148.962264
"1374227"	141.078224	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H-2H2O"	-35.012676
"1386256"	159.0882	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H-H2O"	-17.0027
"284849"	353.189076	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+H"	1.007276
"678367"	529.279976	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+H"	1.007276
"1355808"	177.098176	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H"	1.007276
"134173"	177.098176	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+2H"	2.014552
"572639"	265.143626	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+2H"	2.014552
"1037549"	89.052726	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2H"	2.014552
"206059"	118.401209333333	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+3H"	3.021828
"645011"	177.098176	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+3H"	3.021828
"1163504"	59.7042426666667	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+3H"	3.021828
"425924"	370.215623	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+NH4"	18.033823
"786555"	546.306523	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+NH4"	18.033823
"1681669"	194.124723	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+NH4"	18.033823
"332263"	185.6114495	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+H+NH4"	19.041099
"724318"	273.6568995	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+H+NH4"	19.041099
"1477771"	97.5659995	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H+NH4"	19.041099
"394633"	375.171018	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+Na"	22.989218
"759640"	551.261918	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+Na"	22.989218
"1605550"	199.080118	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Na"	22.989218
"319962"	188.089147	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+H+Na"	23.996494
"713478"	276.134597	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+H+Na"	23.996494
"1464383"	100.043697	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H+Na"	23.996494
"1059451"	67.0315566666667	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2H+Na"	25.00377
"1258579"	209.124386	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+CH3OH+H"	33.033486
"378247"	391.144958	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+K"	38.963158
"738643"	567.235858	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+K"	38.963158
"1541660"	215.054058	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+K"	38.963158
"298834"	196.076117	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+H+K"	39.970434
"694538"	284.121567	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+H+K"	39.970434
"1451638"	108.030667	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H+K"	39.970434
"240239"	394.215626	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+ACN+H"	42.033826
"1215136"	218.124726	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+ACN+H"	42.033826
"1200113"	109.566001	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+ACN+2H"	43.041102
"191892"	397.15296	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+2Na-H"	44.97116
"636918"	573.24386	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+2Na-H"	44.97116
"1140426"	221.06206	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2Na-H"	44.97116
"182623"	199.080118	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+2Na"	45.978436
"626557"	287.125568	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+2Na"	45.978436
"1129825"	111.034668	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2Na"	45.978436
"1412863"	74.3588706666667	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H+2Na"	46.985712
"1443531"	223.103646	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H+HCOOH"	47.012746
"234797"	204.11314	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+3H2O+2H"	56.04448
"1520552"	237.15569	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+IsoProp+H"	61.06479
"413318"	207.067088	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+Na+K"	61.952376
"777229"	295.112538	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+Na+K"	61.952376
"1671733"	119.021638	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Na+K"	61.952376
"263720"	416.197568	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+ACN+Na"	64.015768
"1238981"	240.106668	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+ACN+Na"	64.015768
"1724588"	240.130193	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+NH4+HCOOH"	64.039293
"1189213"	81.6861846666667	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+3Na"	68.967654
"1660929"	245.085588	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Na+HCOOH"	68.994688
"165240"	429.10084	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+2K-H"	76.91904
"608082"	605.19174	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+2K-H"	76.91904
"1092597"	253.00994	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2K-H"	76.91904
"150508"	215.054058	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"2M+2K"	77.926316
"593350"	303.099508	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"3M+2K"	77.926316
"1071300"	127.008608	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2K"	77.926316
"1102320"	255.024492	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2K+H"	78.933592
"1343079"	255.112107	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+DMSO+H"	79.021207
"1014892"	259.151276	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2ACN+H"	83.060376
"1535202"	260.144908	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+IsoProp+Na+H"	84.054008
"995087"	130.079276	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+2ACN+2H"	84.067652
"1591778"	261.059528	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+K+HCOOH"	84.968628
"1419626"	291.091038	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+H+CF3COOH"	115.000138
"1148821"	150.592551	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+3ACN+2H"	125.094202
"1697525"	308.117585	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+NH4+CF3COOH"	132.026685
"1634632"	313.07298	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+Na+CF3COOH"	136.98208
"1586084"	329.04692	"C00308"	"Canavanine;L-Canavanine;2-Amino-4-(guanidinooxy)butyric acid"	"C5H12N4O3"	"176.0909"	"M+K+CF3COOH"	152.95602
"815356"	150.0528	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M"	0
"986707"	131.03441	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"66202"	99.027924	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"503575"	149.045524	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"882471"	49.010324	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"1409"	149.045524	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"443887"	224.071924	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"820594"	74.019124	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"82043"	299.098324	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"522333"	449.151124	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"899404"	149.045524	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"50864"	316.124871	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"488965"	466.177671	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"871873"	166.072071	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"43055"	321.080266	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"477152"	471.133066	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"849844"	171.027466	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1619744"	171.027466	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"95180"	167.033863	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"536564"	242.060263	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"929715"	92.007463	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"268272"	335.075002	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"661063"	485.127802	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1277475"	185.022202	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"21127"	337.054206	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"462874"	487.107006	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"839582"	187.001406	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1566349"	187.001406	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"954237"	195.050994	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"370265"	345.103801	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"351961"	359.119451	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1502979"	209.066651	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"959950"	217.032951	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"113598"	185.022202	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"551700"	260.048602	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1023778"	109.995802	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1245184"	228.971685	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1310912"	231.027672	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1325127"	253.009629	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"919467"	263.038386	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1292895"	299.015064	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1374339"	115.040124	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1386366"	133.0501	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"284959"	301.112876	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"677746"	451.165676	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1355918"	151.060076	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"134285"	151.060076	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"574936"	226.086476	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1038149"	76.033676	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"206175"	101.042476	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"645851"	151.060076	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1164587"	51.024876	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"426398"	318.139423	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"787394"	468.192223	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1682021"	168.086623	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"331644"	159.5733495	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"724063"	234.5997495	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1477637"	84.5469495	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"393075"	323.094818	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"757928"	473.147618	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1604567"	173.042018	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"315335"	162.051047	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"708487"	237.077447	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1462062"	87.024647	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1053077"	58.35219	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1257228"	183.086286	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"377994"	339.068758	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"738586"	489.121558	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1540064"	189.015958	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"301131"	170.038017	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"693554"	245.064417	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1448467"	95.011617	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"241444"	342.139426	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1216340"	192.086626	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1200223"	96.546951	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"192001"	345.07676	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"635936"	495.12956	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1138350"	195.02396	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"182732"	173.042018	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"624480"	248.068418	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1126894"	98.015618	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1411998"	65.679504	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1444974"	197.065546	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"235515"	178.07504	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1522853"	211.11759	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"414521"	181.028988	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"778796"	256.055388	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1671845"	106.002588	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"262737"	364.121368	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1237632"	214.068568	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1722512"	214.092093	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1187500"	73.006818	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1659582"	219.047488	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"164258"	377.02464	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"606005"	527.07744	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1092707"	226.97184	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"154991"	189.015958	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"590180"	264.042358	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1072502"	113.989558	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1103525"	228.986392	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1344283"	229.074007	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1018282"	233.113176	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1533127"	234.106808	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"991917"	117.060226	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1591888"	235.021428	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1419735"	265.052938	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1147716"	137.573501	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1697874"	282.079485	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1638510"	287.03488	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1586194"	303.00882	"C00309"	"D-Ribulose;D-erythro-2-Pentulose;D-Arabinoketose;D-Arabinulose;D-Riboketose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"816199"	150.0528	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M"	0
"987182"	131.03441	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"73966"	99.027924	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"503807"	149.045524	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"882581"	49.010324	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"1155"	149.045524	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"442904"	224.071924	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"821068"	74.019124	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"81060"	299.098324	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"520985"	449.151124	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"897084"	149.045524	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"52068"	316.124871	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"489074"	466.177671	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"871983"	166.072071	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"43165"	321.080266	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"481637"	471.133066	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"850325"	171.027466	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1622412"	171.027466	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"98939"	167.033863	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"536674"	242.060263	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"933107"	92.007463	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"269480"	335.075002	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"670649"	485.127802	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1280865"	185.022202	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"23424"	337.054206	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"465171"	487.107006	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"839692"	187.001406	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1566459"	187.001406	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"954347"	195.050994	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"370375"	345.103801	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"360455"	359.119451	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1507099"	209.066651	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"962977"	217.032951	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"112980"	185.022202	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"551448"	260.048602	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1023161"	109.995802	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1244201"	228.971685	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1308835"	231.027672	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1325236"	253.009629	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"915202"	263.038386	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1293005"	299.015064	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1373356"	115.040124	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1388663"	133.0501	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"288349"	301.112876	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"677129"	451.165676	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1352747"	151.060076	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"137675"	151.060076	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"575046"	226.086476	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1039843"	76.033676	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"209565"	101.042476	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"645482"	151.060076	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1164089"	51.024876	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"427237"	318.139423	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"787504"	468.192223	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1683105"	168.086623	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"332484"	159.5733495	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"723930"	234.5997495	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1477749"	84.5469495	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"393633"	323.094818	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"756945"	473.147618	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1604677"	173.042018	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"316538"	162.051047	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"710781"	237.077447	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1464967"	87.024647	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1053960"	58.35219	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1259892"	183.086286	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"380290"	339.068758	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"738729"	489.121558	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1542607"	189.015958	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"304521"	170.038017	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"694757"	245.064417	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1450765"	95.011617	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"245928"	342.139426	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1214263"	192.086626	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1203614"	96.546951	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"196484"	345.07676	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"639327"	495.12956	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1140647"	195.02396	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"186122"	173.042018	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"625319"	248.068418	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1129801"	98.015618	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1409434"	65.679504	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1444713"	197.065546	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"233797"	178.07504	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1522597"	211.11759	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"417912"	181.028988	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"778907"	256.055388	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1670861"	106.002588	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"262849"	364.121368	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1235556"	214.068568	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1722257"	214.092093	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1186519"	73.006818	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1657506"	219.047488	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"163274"	377.02464	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"610491"	527.07744	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1093909"	226.97184	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"154008"	189.015958	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"595757"	264.042358	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1072612"	113.989558	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1108011"	228.986392	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1348770"	229.074007	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1019122"	233.113176	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1537612"	234.106808	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"994214"	117.060226	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1587744"	235.021428	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1415835"	265.052938	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1149042"	137.573501	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1698596"	282.079485	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1635340"	287.03488	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1576463"	303.00882	"C00310"	"D-Xylulose;D-threo-Pentulose;D-Lyxulose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"816673"	192.027	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M"	0
"986927"	173.00861	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"72981"	127.010724	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"504160"	191.019724	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"882691"	63.001724	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"900"	191.019724	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"440459"	287.033224	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"817895"	95.006224	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"79347"	383.046724	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"520116"	575.073724	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"896703"	191.019724	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"53271"	400.073271	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"488576"	592.100271	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"872093"	208.046271	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"43275"	405.028666	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"482477"	597.055666	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"852256"	213.001666	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1621788"	213.001666	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"97222"	209.008063	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"537878"	305.021563	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"936499"	112.994563	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"273965"	419.023402	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"664562"	611.050402	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1283163"	226.996402	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"24628"	421.002606	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"467469"	613.029606	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"843085"	228.975606	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1565479"	228.975606	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"951175"	237.025194	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"373765"	429.052201	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"354368"	443.067851	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1503200"	251.040851	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"966367"	259.007151	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"115640"	226.996402	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"554838"	323.009902	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1024363"	130.982902	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1244674"	270.945885	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1308216"	273.001872	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1322068"	294.983829	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"913125"	305.012586	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1292022"	340.989264	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1371281"	157.014324	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1390962"	175.0243	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"288459"	385.061276	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"677238"	577.088276	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1352855"	193.034276	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H"	1.007276
"137785"	193.034276	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"574063"	289.047776	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1040681"	97.020776	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"209675"	129.025276	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"647052"	193.034276	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1164565"	65.016276	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"426253"	402.087823	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"787979"	594.114823	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1682850"	210.060823	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"331864"	201.5475495	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"724284"	297.5610495	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1477155"	105.5340495	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"393503"	407.043218	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"758876"	599.070218	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1605880"	215.016218	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"317376"	204.025247	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"708337"	300.038747	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1463010"	108.011747	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1053826"	72.34359	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1257567"	225.060486	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"378209"	423.017158	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"738722"	615.044158	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1540769"	230.990158	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+K"	38.963158
"299891"	212.012217	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"695231"	308.025717	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1451967"	115.998717	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"239111"	426.087826	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1216560"	234.060826	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1198257"	117.534051	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"193313"	429.02516	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"636157"	621.05216	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1139663"	236.99816	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"179672"	215.016218	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"625793"	311.029718	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1126020"	119.002718	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1409544"	79.670904	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1445473"	239.039746	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"232449"	220.04924	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1522832"	253.09179	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"418022"	223.003188	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"781204"	319.016688	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1674252"	126.989688	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"262958"	448.069768	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1236759"	256.042768	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1724552"	256.066293	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1190273"	86.998218	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1659803"	261.021688	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"165572"	460.97304	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"612504"	653.00004	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1094019"	268.94604	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"151931"	230.990158	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"594652"	327.003658	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1074909"	134.976658	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1110305"	270.960592	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1347786"	271.048207	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1019232"	275.087376	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1532254"	276.081008	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"997604"	138.047326	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1588097"	276.995628	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1416674"	307.027138	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1149154"	158.560601	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1697977"	324.053685	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1635450"	329.00908	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1571466"	344.98302	"C00311"	"Isocitrate;Isocitric acid;1-Hydroxytricarballylic acid;1-Hydroxypropane-123-tricarboxylic acid"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"815693"	150.0528	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M"	0
"988860"	131.03441	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"70907"	99.027924	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"504999"	149.045524	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"880977"	49.010324	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"4657"	149.045524	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"441662"	224.071924	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"819465"	74.019124	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"81276"	299.098324	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"521934"	449.151124	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"897910"	149.045524	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"50101"	316.124871	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"490388"	466.177671	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"872203"	166.072071	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"43385"	321.080266	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"482954"	471.133066	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"850179"	171.027466	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1621170"	171.027466	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"100251"	167.033863	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"539082"	242.060263	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"935515"	92.007463	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"274439"	335.075002	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"670869"	485.127802	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1283273"	185.022202	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"20362"	337.054206	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"467579"	487.107006	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"846477"	187.001406	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1568869"	187.001406	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"951285"	195.050994	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"367312"	345.103801	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"356664"	359.119451	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1506590"	209.066651	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"966477"	217.032951	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"121946"	185.022202	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"558228"	260.048602	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1027028"	109.995802	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1246606"	228.971685	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1307230"	231.027672	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1324365"	253.009629	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"915422"	263.038386	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1292132"	299.015064	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1374671"	115.040124	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1396539"	133.0501	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"288571"	301.112876	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"678445"	451.165676	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1353698"	151.060076	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"133520"	151.060076	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"577822"	226.086476	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1041886"	76.033676	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"208693"	101.042476	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"649349"	151.060076	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1164191"	51.024876	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"427463"	318.139423	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"786998"	468.192223	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1683446"	168.086623	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"335256"	159.5733495	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"724032"	234.5997495	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1478214"	84.5469495	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"395803"	323.094818	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"758986"	473.147618	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1608179"	173.042018	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"314690"	162.051047	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"710635"	237.077447	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1462020"	87.024647	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1053318"	58.35219	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1257679"	183.086286	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"377549"	339.068758	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"741141"	489.121558	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1542831"	189.015958	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"300732"	170.038017	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"693519"	245.064417	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1450985"	95.011617	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"239223"	342.139426	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1216671"	192.086626	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1198002"	96.546951	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"193788"	345.07676	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"632982"	495.12956	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1135760"	195.02396	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"179415"	173.042018	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"620070"	248.068418	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1126130"	98.015618	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1409653"	65.679504	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1438489"	197.065546	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"235475"	178.07504	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1520628"	211.11759	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"419227"	181.028988	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"783871"	256.055388	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1677647"	106.002588	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"265987"	364.121368	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1239792"	214.068568	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1727705"	214.092093	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1191118"	73.006818	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1664289"	219.047488	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"171153"	377.02464	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"607430"	527.07744	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1097412"	226.97184	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"153137"	189.015958	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"593790"	264.042358	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1076112"	113.989558	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1109323"	228.986392	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1343520"	229.074007	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1013143"	233.113176	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1538559"	234.106808	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"994435"	117.060226	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1588571"	235.021428	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1420067"	265.052938	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1150358"	137.573501	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1704285"	282.079485	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1636655"	287.03488	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1571412"	303.00882	"C00312"	"L-Xylulose;L-threo-Pentulose;L-Lyxulose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"815436"	839.1	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M"	0
"987148"	820.08161	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-H2O-H"	-19.01839
"71017"	558.392724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M-3H"	-3.021828
"505474"	838.092724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M-3H"	-3.021828
"880314"	278.692724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-3H"	-3.021828
"6955"	838.092724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M-2H"	-2.014552
"444328"	1257.642724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M-2H"	-2.014552
"819212"	418.542724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-2H"	-2.014552
"82117"	1677.192724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M-H"	-1.007276
"520950"	2516.292724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M-H"	-1.007276
"896927"	838.092724	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-H"	-1.007276
"50211"	1694.219271	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M-2H+NH4"	16.019271
"489041"	2533.319271	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M-2H+NH4"	16.019271
"866115"	855.119271	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-2H+NH4"	16.019271
"42402"	1699.174666	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M-2H+Na"	20.974666
"483791"	2538.274666	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M-2H+Na"	20.974666
"850289"	860.074666	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-2H+Na"	20.974666
"1621281"	860.074666	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Na-2H"	20.974666
"99270"	856.081063	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M-H+Cl"	33.962126
"539923"	1275.631063	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M-H+Cl"	33.962126
"936720"	436.531063	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-H+Cl"	33.962126
"276373"	1713.169402	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+Cl"	34.969402
"667699"	2552.269402	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+Cl"	34.969402
"1280103"	874.069402	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Cl"	34.969402
"20474"	1715.148606	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M-2H+K"	36.948606
"458210"	2554.248606	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M-2H+K"	36.948606
"840024"	876.048606	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-2H+K"	36.948606
"1562418"	876.048606	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+K-2H"	36.948606
"953583"	884.098194	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-H+HCOOH"	44.998194
"374713"	1723.198201	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+HCOOH-H"	44.998201
"358231"	1737.213851	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+Hac-H"	59.013851
"1505242"	898.113851	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Hac-H"	59.013851
"964764"	906.080151	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-H+NaCOOH"	66.980151
"112214"	874.069402	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+2Cl"	69.938804
"555058"	1293.619402	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+2Cl"	69.938804
"1024951"	454.519402	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2Cl"	69.938804
"1243071"	918.018885	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Br"	78.918885
"1306977"	920.074872	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Cl+HCOOH"	80.974872
"1322288"	942.056829	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Cl+NaCOOH"	102.956829
"912374"	952.085586	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M-H+CF3COOH"	112.985586
"1292243"	988.062264	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Cl+CF3COOH"	148.962264
"1378059"	804.087324	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H-2H2O"	-35.012676
"1391182"	822.0973	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H-H2O"	-17.0027
"288681"	1679.207276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+H"	1.007276
"676729"	2518.307276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+H"	1.007276
"1353810"	840.107276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H"	1.007276
"133630"	840.107276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+2H"	2.014552
"574287"	1259.657276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+2H"	2.014552
"1038833"	420.557276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2H"	2.014552
"206249"	560.407276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+3H"	3.021828
"646902"	840.107276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+3H"	3.021828
"1166848"	280.707276	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+3H"	3.021828
"427572"	1696.233823	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+NH4"	18.033823
"787472"	2535.333823	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+NH4"	18.033823
"1682712"	857.133823	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+NH4"	18.033823
"330256"	848.6205495	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+H+NH4"	19.041099
"723892"	1268.1705495	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+H+NH4"	19.041099
"1477959"	429.0705495	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H+NH4"	19.041099
"392855"	1701.189218	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+Na"	22.989218
"755084"	2540.289218	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+Na"	22.989218
"1602764"	862.089218	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Na"	22.989218
"315283"	851.098247	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+H+Na"	23.996494
"708192"	1270.648247	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+H+Na"	23.996494
"1461767"	431.548247	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H+Na"	23.996494
"1056354"	288.03459	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2H+Na"	25.00377
"1258399"	872.133486	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+CH3OH+H"	33.033486
"377946"	1717.163158	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+K"	38.963158
"741617"	2556.263158	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+K"	38.963158
"1541848"	878.063158	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+K"	38.963158
"300115"	859.085217	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+H+K"	39.970434
"692533"	1278.635217	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+H+K"	39.970434
"1451095"	439.535217	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H+K"	39.970434
"239698"	1720.233826	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+ACN+H"	42.033826
"1215321"	881.133826	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+ACN+H"	42.033826
"1198112"	441.070551	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+ACN+2H"	43.041102
"193898"	1723.17116	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+2Na-H"	44.97116
"635281"	2562.27116	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+2Na-H"	44.97116
"1136602"	884.07116	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2Na-H"	44.97116
"179892"	862.089218	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+2Na"	45.978436
"623826"	1281.639218	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+2Na"	45.978436
"1120771"	442.539218	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2Na"	45.978436
"1407578"	295.361904	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H+2Na"	46.985712
"1436412"	886.112746	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H+HCOOH"	47.012746
"233763"	867.12224	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+3H2O+2H"	56.04448
"1520735"	900.16479	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+IsoProp+H"	61.06479
"421525"	870.076188	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+Na+K"	61.952376
"782520"	1289.626188	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+Na+K"	61.952376
"1678850"	450.526188	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Na+K"	61.952376
"265004"	1742.215768	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+ACN+Na"	64.015768
"1236982"	903.115768	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+ACN+Na"	64.015768
"1726599"	903.139293	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+NH4+HCOOH"	64.039293
"1191225"	302.689218	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+3Na"	68.967654
"1664398"	908.094688	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Na+HCOOH"	68.994688
"171263"	1755.11904	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+2K-H"	76.91904
"607540"	2594.21904	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+2K-H"	76.91904
"1092051"	916.01904	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2K-H"	76.91904
"154338"	878.063158	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"2M+2K"	77.926316
"592802"	1297.613158	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"3M+2K"	77.926316
"1081571"	458.513158	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2K"	77.926316
"1112712"	918.033592	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2K+H"	78.933592
"1341443"	918.121207	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+DMSO+H"	79.021207
"1009242"	922.160376	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2ACN+H"	83.060376
"1527004"	923.154008	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+IsoProp+Na+H"	84.054008
"992357"	461.583826	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+2ACN+2H"	84.067652
"1593423"	924.068628	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+K+HCOOH"	84.968628
"1419085"	954.100138	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+H+CF3COOH"	115.000138
"1151563"	482.097101	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+3ACN+2H"	125.094202
"1701113"	971.126685	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+NH4+CF3COOH"	132.026685
"1636765"	976.08208	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+Na+CF3COOH"	136.98208
"1571363"	992.05602	"C00313"	"Oxalyl-CoA"	"C23H36N7O19P3S"	"839.1"	"M+K+CF3COOH"	152.95602
"816154"	169.0739	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M"	0
"987623"	150.05551	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-H2O-H"	-19.01839
"75500"	111.708657333333	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M-3H"	-3.021828
"510688"	168.066624	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M-3H"	-3.021828
"879945"	55.3506906666667	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-3H"	-3.021828
"7065"	168.066624	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M-2H"	-2.014552
"443345"	252.603574	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M-2H"	-2.014552
"817864"	83.529674	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-2H"	-2.014552
"81134"	337.140524	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M-H"	-1.007276
"521790"	506.214424	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M-H"	-1.007276
"897763"	168.066624	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-H"	-1.007276
"49591"	354.167071	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M-2H+NH4"	16.019271
"488785"	523.240971	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M-2H+NH4"	16.019271
"865860"	185.093171	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-2H+NH4"	16.019271
"42512"	359.122466	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M-2H+Na"	20.974666
"483172"	528.196366	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M-2H+Na"	20.974666
"850766"	190.048566	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-2H+Na"	20.974666
"1619933"	190.048566	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Na-2H"	20.974666
"97192"	186.054963	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M-H+Cl"	33.962126
"536021"	270.591913	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M-H+Cl"	33.962126
"931362"	101.518013	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-H+Cl"	33.962126
"278670"	373.117202	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+Cl"	34.969402
"669996"	542.191102	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+Cl"	34.969402
"1280212"	204.043302	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Cl"	34.969402
"19491"	375.096406	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M-2H+K"	36.948606
"456864"	544.170306	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M-2H+K"	36.948606
"842321"	206.022506	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-2H+K"	36.948606
"1565808"	206.022506	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+K-2H"	36.948606
"955880"	214.072094	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-H+HCOOH"	44.998194
"374823"	383.146001	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+HCOOH-H"	44.998201
"357976"	397.161651	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+Hac-H"	59.013851
"1504259"	228.087751	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Hac-H"	59.013851
"964510"	236.054051	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-H+NaCOOH"	66.980151
"113053"	204.043302	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+2Cl"	69.938804
"555168"	288.580252	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+2Cl"	69.938804
"1022509"	119.506352	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2Cl"	69.938804
"1242453"	247.992785	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Br"	78.918885
"1305017"	250.048772	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Cl+HCOOH"	80.974872
"1319938"	272.030729	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Cl+NaCOOH"	102.956829
"911442"	282.059486	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M-H+CF3COOH"	112.985586
"1292353"	318.036164	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Cl+CF3COOH"	148.962264
"1374889"	134.061224	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H-2H2O"	-35.012676
"1390198"	152.0712	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H-H2O"	-17.0027
"284415"	339.155076	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+H"	1.007276
"675787"	508.228976	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+H"	1.007276
"1352460"	170.081176	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H"	1.007276
"129365"	170.081176	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+2H"	2.014552
"573301"	254.618126	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+2H"	2.014552
"1041011"	85.544226	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2H"	2.014552
"206357"	113.723209333333	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+3H"	3.021828
"650660"	170.081176	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+3H"	3.021828
"1164045"	57.3652426666667	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+3H"	3.021828
"425131"	356.181623	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+NH4"	18.033823
"788677"	525.255523	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+NH4"	18.033823
"1682822"	187.107723	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+NH4"	18.033823
"331100"	178.5944495	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+H+NH4"	19.041099
"722803"	263.1313995	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+H+NH4"	19.041099
"1477297"	94.0574995	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H+NH4"	19.041099
"392840"	361.137018	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+Na"	22.989218
"754380"	530.210918	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+Na"	22.989218
"1602794"	192.063118	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Na"	22.989218
"316247"	181.072147	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+H+Na"	23.996494
"708060"	265.609097	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+H+Na"	23.996494
"1462854"	96.535197	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H+Na"	23.996494
"1056832"	64.6925566666667	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2H+Na"	25.00377
"1259605"	202.107386	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+CH3OH+H"	33.033486
"382553"	377.110958	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+K"	38.963158
"744645"	546.184858	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+K"	38.963158
"1541595"	208.037058	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+K"	38.963158
"300956"	189.059117	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+H+K"	39.970434
"694103"	273.596067	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+H+K"	39.970434
"1451205"	104.522167	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H+K"	39.970434
"240536"	380.181626	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+ACN+H"	42.033826
"1217983"	211.107726	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+ACN+H"	42.033826
"1197492"	106.057501	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+ACN+2H"	43.041102
"191821"	383.11896	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+2Na-H"	44.97116
"632475"	552.19286	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+2Na-H"	44.97116
"1137076"	214.04506	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2Na-H"	44.97116
"178543"	192.063118	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+2Na"	45.978436
"621749"	276.600068	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+2Na"	45.978436
"1120517"	107.526168	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2Na"	45.978436
"1409148"	72.0198706666667	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H+2Na"	46.985712
"1437615"	216.086646	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H+HCOOH"	47.012746
"230960"	197.09614	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+3H2O+2H"	56.04448
"1520117"	230.13869	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+IsoProp+H"	61.06479
"422728"	200.050088	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+Na+K"	61.952376
"782629"	284.587038	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+Na+K"	61.952376
"1673493"	115.513138	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Na+K"	61.952376
"262199"	402.163568	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+ACN+Na"	64.015768
"1238187"	233.089668	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+ACN+Na"	64.015768
"1722701"	233.113193	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+NH4+HCOOH"	64.039293
"1189147"	79.3471846666667	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+3Na"	68.967654
"1662321"	238.068588	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Na+HCOOH"	68.994688
"170276"	415.06684	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+2K-H"	76.91904
"608747"	584.14074	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+2K-H"	76.91904
"1092162"	245.99294	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2K-H"	76.91904
"153355"	208.037058	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"2M+2K"	77.926316
"591823"	292.574008	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"3M+2K"	77.926316
"1083626"	123.500108	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2K"	77.926316
"1113309"	248.007492	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2K+H"	78.933592
"1342647"	248.095107	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+DMSO+H"	79.021207
"1011175"	252.134276	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2ACN+H"	83.060376
"1528208"	253.127908	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+IsoProp+Na+H"	84.054008
"992103"	126.570776	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+2ACN+2H"	84.067652
"1592440"	254.042528	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+K+HCOOH"	84.968628
"1418102"	284.074038	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+H+CF3COOH"	115.000138
"1151673"	147.084051	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+3ACN+2H"	125.094202
"1697943"	301.100585	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+NH4+CF3COOH"	132.026685
"1636875"	306.05598	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+Na+CF3COOH"	136.98208
"1573256"	322.02992	"C00314"	"Pyridoxine;Pyridoxol"	"C8H11NO3"	"169.0739"	"M+K+CF3COOH"	152.95602
"816794"	145.1579	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M"	0
"986276"	126.13951	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-H2O-H"	-19.01839
"76703"	95.7646573333333	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M-3H"	-3.021828
"510797"	144.150624	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M-3H"	-3.021828
"883133"	47.3786906666667	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-3H"	-3.021828
"8270"	144.150624	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M-2H"	-2.014552
"444549"	216.729574	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M-2H"	-2.014552
"821621"	71.571674	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-2H"	-2.014552
"81610"	289.308524	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M-H"	-1.007276
"521534"	434.466424	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M-H"	-1.007276
"897632"	144.150624	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-H"	-1.007276
"48849"	306.335071	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M-2H+NH4"	16.019271
"489624"	451.492971	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M-2H+NH4"	16.019271
"866334"	161.177171	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-2H+NH4"	16.019271
"41529"	311.290466	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M-2H+Na"	20.974666
"483282"	456.448366	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M-2H+Na"	20.974666
"850512"	166.132566	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-2H+Na"	20.974666
"1620044"	166.132566	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Na-2H"	20.974666
"96208"	162.138963	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M-H+Cl"	33.962126
"536861"	234.717913	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M-H+Cl"	33.962126
"934752"	89.560013	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-H+Cl"	33.962126
"278416"	325.285202	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+Cl"	34.969402
"670106"	470.443102	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+Cl"	34.969402
"1281415"	180.127302	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Cl"	34.969402
"16925"	327.264406	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M-2H+K"	36.948606
"457214"	472.422306	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M-2H+K"	36.948606
"840245"	182.106506	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-2H+K"	36.948606
"1561546"	182.106506	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+K-2H"	36.948606
"946146"	190.156094	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-H+HCOOH"	44.998194
"370924"	335.314001	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+HCOOH-H"	44.998201
"352623"	349.329651	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+Hac-H"	59.013851
"1500360"	204.171751	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Hac-H"	59.013851
"962433"	212.138051	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-H+NaCOOH"	66.980151
"111097"	180.127302	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+2Cl"	69.938804
"553092"	252.706252	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+2Cl"	69.938804
"1022984"	107.548352	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2Cl"	69.938804
"1242563"	224.076785	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Br"	78.918885
"1305048"	226.132772	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Cl+HCOOH"	80.974872
"1320319"	248.114729	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Cl+NaCOOH"	102.956829
"911698"	258.143486	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M-H+CF3COOH"	112.985586
"1292463"	294.120164	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Cl+CF3COOH"	148.962264
"1374999"	110.145224	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H-2H2O"	-35.012676
"1387028"	128.1552	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H-H2O"	-17.0027
"286712"	291.323076	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+H"	1.007276
"676583"	436.480976	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+H"	1.007276
"1352327"	146.165176	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H"	1.007276
"128383"	146.165176	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+2H"	2.014552
"572318"	218.744126	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+2H"	2.014552
"1041121"	73.586226	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2H"	2.014552
"205375"	97.7792093333334	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+3H"	3.021828
"649677"	146.165176	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+3H"	3.021828
"1165613"	49.3932426666667	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+3H"	3.021828
"425970"	308.349623	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+NH4"	18.033823
"788787"	453.507523	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+NH4"	18.033823
"1685119"	163.191723	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+NH4"	18.033823
"333397"	154.6784495	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+H+NH4"	19.041099
"724116"	227.2573995	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+H+NH4"	19.041099
"1477165"	82.0994995	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H+NH4"	19.041099
"393820"	313.305018	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+Na"	22.989218
"755062"	458.462918	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+Na"	22.989218
"1602828"	168.147118	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Na"	22.989218
"316357"	157.156147	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+H+Na"	23.996494
"707439"	229.735097	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+H+Na"	23.996494
"1461870"	84.577197	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H+Na"	23.996494
"1059128"	56.7205566666667	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2H+Na"	25.00377
"1259715"	178.191386	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+CH3OH+H"	33.033486
"384850"	329.278958	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+K"	38.963158
"741476"	474.436858	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+K"	38.963158
"1542434"	184.121058	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+K"	38.963158
"302159"	165.143117	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+H+K"	39.970434
"696036"	237.722067	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+H+K"	39.970434
"1454595"	92.564167	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H+K"	39.970434
"243198"	332.349626	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+ACN+H"	42.033826
"1217729"	187.191726	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+ACN+H"	42.033826
"1198332"	94.099501	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+ACN+2H"	43.041102
"191202"	335.28696	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+2Na-H"	44.97116
"632950"	480.44486	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+2Na-H"	44.97116
"1137186"	190.12906	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2Na-H"	44.97116
"178653"	168.147118	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+2Na"	45.978436
"624046"	240.726068	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+2Na"	45.978436
"1124273"	95.568168	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2Na"	45.978436
"1408529"	64.0478706666667	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H+2Na"	46.985712
"1438819"	192.170646	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H+HCOOH"	47.012746
"231070"	173.18014	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+3H2O+2H"	56.04448
"1520227"	206.22269	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+IsoProp+H"	61.06479
"416277"	176.134088	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+Na+K"	61.952376
"780552"	248.713038	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+Na+K"	61.952376
"1673603"	103.555138	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Na+K"	61.952376
"262309"	354.331568	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+ACN+Na"	64.015768
"1238299"	209.173668	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+ACN+Na"	64.015768
"1724997"	209.197193	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+NH4+HCOOH"	64.039293
"1187071"	71.3751846666667	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+3Na"	68.967654
"1660244"	214.152588	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Na+HCOOH"	68.994688
"167105"	367.23484	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+2K-H"	76.91904
"608857"	512.39274	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+2K-H"	76.91904
"1094459"	222.07694	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2K-H"	76.91904
"155411"	184.121058	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"2M+2K"	77.926316
"585732"	256.700008	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"3M+2K"	77.926316
"1081790"	111.542108	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2K"	77.926316
"1109654"	224.091492	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2K+H"	78.933592
"1338382"	224.179107	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+DMSO+H"	79.021207
"1012380"	228.218276	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2ACN+H"	83.060376
"1529412"	229.211908	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+IsoProp+Na+H"	84.054008
"991484"	114.612776	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+2ACN+2H"	84.067652
"1592548"	230.126528	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+K+HCOOH"	84.968628
"1420399"	260.158038	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+H+CF3COOH"	115.000138
"1151783"	135.126051	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+3ACN+2H"	125.094202
"1703521"	277.184585	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+NH4+CF3COOH"	132.026685
"1638078"	282.13998	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+Na+CF3COOH"	136.98208
"1573002"	298.11392	"C00315"	"Spermidine;N-(3-Aminopropyl)-14-butane-diamine"	"C7H19N3"	"145.1579"	"M+K+CF3COOH"	152.95602
"816909"	828.2747	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M"	0
"987844"	809.25631	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-H2O-H"	-19.01839
"76814"	551.175857333333	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M-3H"	-3.021828
"510907"	827.267424	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M-3H"	-3.021828
"883243"	275.084290666667	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-3H"	-3.021828
"8380"	827.267424	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M-2H"	-2.014552
"442473"	1241.404774	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M-2H"	-2.014552
"821367"	413.130074	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-2H"	-2.014552
"83906"	1655.542124	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M-H"	-1.007276
"522737"	2483.816824	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M-H"	-1.007276
"899808"	827.267424	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-H"	-1.007276
"52727"	1672.568671	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M-2H+NH4"	16.019271
"491922"	2500.843371	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M-2H+NH4"	16.019271
"866442"	844.293971	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-2H+NH4"	16.019271
"41639"	1677.524066	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M-2H+Na"	20.974666
"484487"	2505.798766	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M-2H+Na"	20.974666
"855725"	849.249366	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-2H+Na"	20.974666
"1624164"	849.249366	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Na-2H"	20.974666
"99599"	845.255763	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M-H+Cl"	33.962126
"543532"	1259.393113	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M-H+Cl"	33.962126
"937049"	431.118413	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-H+Cl"	33.962126
"280349"	1691.518802	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+Cl"	34.969402
"673376"	2519.793502	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+Cl"	34.969402
"1282618"	863.244102	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Cl"	34.969402
"16793"	1693.498006	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M-2H+K"	36.948606
"460363"	2521.772706	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M-2H+K"	36.948606
"842540"	865.223306	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-2H+K"	36.948606
"1563844"	865.223306	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+K-2H"	36.948606
"946257"	873.272894	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-H+HCOOH"	44.998194
"369941"	1701.547601	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+HCOOH-H"	44.998201
"353826"	1715.563251	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+Hac-H"	59.013851
"1500469"	887.288551	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Hac-H"	59.013851
"960721"	895.254851	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-H+NaCOOH"	66.980151
"114733"	863.244102	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+2Cl"	69.938804
"554294"	1277.381452	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+2Cl"	69.938804
"1027466"	449.106752	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2Cl"	69.938804
"1242305"	907.193585	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Br"	78.918885
"1307306"	909.249572	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Cl+HCOOH"	80.974872
"1321524"	931.231529	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Cl+NaCOOH"	102.956829
"915864"	941.260286	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M-H+CF3COOH"	112.985586
"1292573"	977.236964	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Cl+CF3COOH"	148.962264
"1375109"	793.262024	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H-2H2O"	-35.012676
"1390418"	811.272	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H-H2O"	-17.0027
"289009"	1657.556676	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+H"	1.007276
"683624"	2485.831376	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+H"	1.007276
"1354869"	829.281976	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H"	1.007276
"127031"	829.281976	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+2H"	2.014552
"572428"	1243.419326	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+2H"	2.014552
"1041231"	415.144626	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2H"	2.014552
"205242"	553.190409333333	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+3H"	3.021828
"650880"	829.281976	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+3H"	3.021828
"1164631"	277.098842666667	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+3H"	3.021828
"426080"	1674.583223	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+NH4"	18.033823
"792177"	2502.857923	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+NH4"	18.033823
"1686322"	846.308523	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+NH4"	18.033823
"336787"	837.7952495	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+H+NH4"	19.041099
"724469"	1251.9325995	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+H+NH4"	19.041099
"1484124"	423.6578995	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H+NH4"	19.041099
"395149"	1679.538618	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+Na"	22.989218
"760519"	2507.813318	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+Na"	22.989218
"1605336"	851.263918	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Na"	22.989218
"316589"	840.272947	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+H+Na"	23.996494
"712169"	1254.410297	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+H+Na"	23.996494
"1467084"	426.135597	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H+Na"	23.996494
"1055958"	284.426156666667	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2H+Na"	25.00377
"1265292"	861.308186	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+CH3OH+H"	33.033486
"384960"	1695.512558	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+K"	38.963158
"743769"	2523.787258	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+K"	38.963158
"1544730"	867.237858	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+K"	38.963158
"302269"	848.259917	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+H+K"	39.970434
"696511"	1262.397267	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+H+K"	39.970434
"1456528"	434.122567	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H+K"	39.970434
"243307"	1698.583226	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+ACN+H"	42.033826
"1222209"	870.308526	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+ACN+H"	42.033826
"1202087"	435.657901	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+ACN+2H"	43.041102
"193498"	1701.52056	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+2Na-H"	44.97116
"632695"	2529.79526	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+2Na-H"	44.97116
"1136566"	873.24586	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2Na-H"	44.97116
"180222"	851.263918	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+2Na"	45.978436
"627072"	1265.401268	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+2Na"	45.978436
"1120737"	437.126568	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2Na"	45.978436
"1403533"	291.753470666667	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H+2Na"	46.985712
"1441481"	875.287446	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H+HCOOH"	47.012746
"231180"	856.29694	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+3H2O+2H"	56.04448
"1518515"	889.33949	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+IsoProp+H"	61.06479
"416387"	859.250888	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+Na+K"	61.952376
"779569"	1273.388238	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+Na+K"	61.952376
"1673713"	445.113538	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Na+K"	61.952376
"260232"	1720.565168	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+ACN+Na"	64.015768
"1236952"	892.290468	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+ACN+Na"	64.015768
"1724014"	892.313993	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+NH4+HCOOH"	64.039293
"1188274"	299.080784666667	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+3Na"	68.967654
"1660354"	897.269388	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Na+HCOOH"	68.994688
"169401"	1733.46844	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+2K-H"	76.91904
"606780"	2561.74314	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+2K-H"	76.91904
"1090198"	905.19374	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2K-H"	76.91904
"153576"	867.237858	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"2M+2K"	77.926316
"589853"	1281.375208	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"3M+2K"	77.926316
"1080929"	453.100508	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2K"	77.926316
"1108667"	907.208292	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2K+H"	78.933592
"1341773"	907.295907	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+DMSO+H"	79.021207
"1012490"	911.335076	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2ACN+H"	83.060376
"1528429"	912.328708	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+IsoProp+Na+H"	84.054008
"991594"	456.171176	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+2ACN+2H"	84.067652
"1591565"	913.243328	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+K+HCOOH"	84.968628
"1420509"	943.274838	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+H+CF3COOH"	115.000138
"1151893"	476.684451	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+3ACN+2H"	125.094202
"1702538"	960.301385	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+NH4+CF3COOH"	132.026685
"1638188"	965.25678	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+Na+CF3COOH"	136.98208
"1572383"	981.23072	"C00317"	"Amylopectin"	"C30H52O26"	"828.2747"	"M+K+CF3COOH"	152.95602
"816848"	161.1052	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M"	0
"989411"	142.08681	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-H2O-H"	-19.01839
"78522"	106.396190666667	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M-3H"	-3.021828
"515391"	160.097924	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M-3H"	-3.021828
"886633"	52.6944573333333	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-3H"	-3.021828
"9583"	160.097924	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H"	-2.014552
"441853"	240.650524	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H"	-2.014552
"824757"	79.545324	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H"	-2.014552
"81466"	321.203124	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M-H"	-1.007276
"521390"	482.308324	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M-H"	-1.007276
"897367"	160.097924	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-H"	-1.007276
"49922"	338.229671	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H+NH4"	16.019271
"489116"	499.334871	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H+NH4"	16.019271
"865825"	177.124471	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H+NH4"	16.019271
"40656"	343.185066	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H+Na"	20.974666
"486791"	504.290266	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H+Na"	20.974666
"855835"	182.079866	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H+Na"	20.974666
"1624274"	182.079866	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na-2H"	20.974666
"100802"	178.086263	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M-H+Cl"	33.962126
"544736"	258.638863	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M-H+Cl"	33.962126
"936066"	97.533663	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+Cl"	33.962126
"280823"	357.179802	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Cl"	34.969402
"673607"	518.285002	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+Cl"	34.969402
"1282728"	196.074602	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl"	34.969402
"22007"	359.159006	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H+K"	36.948606
"464847"	520.264206	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H+K"	36.948606
"842650"	198.053806	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H+K"	36.948606
"1566140"	198.053806	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+K-2H"	36.948606
"947460"	206.103394	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+HCOOH"	44.998194
"372236"	367.208601	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+HCOOH-H"	44.998201
"355030"	381.224251	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Hac-H"	59.013851
"1500579"	220.119051	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Hac-H"	59.013851
"961925"	228.085351	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+NaCOOH"	66.980151
"117031"	196.074602	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2Cl"	69.938804
"555497"	276.627202	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2Cl"	69.938804
"1029762"	115.522002	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2Cl"	69.938804
"1242782"	240.024085	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Br"	78.918885
"1308509"	242.080072	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl+HCOOH"	80.974872
"1321998"	264.062029	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl+NaCOOH"	102.956829
"915245"	274.090786	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+CF3COOH"	112.985586
"1293047"	310.067464	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl+CF3COOH"	148.962264
"1375219"	126.092524	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H-2H2O"	-35.012676
"1389435"	144.1025	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H-H2O"	-17.0027
"288026"	323.217676	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H"	1.007276
"680086"	484.322876	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H"	1.007276
"1357895"	162.112476	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H"	1.007276
"134062"	162.112476	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2H"	2.014552
"569982"	242.665076	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2H"	2.014552
"1039510"	81.559876	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2H"	2.014552
"207049"	108.410742666667	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+3H"	3.021828
"644791"	162.112476	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+3H"	3.021828
"1164372"	54.7090093333333	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+3H"	3.021828
"425456"	340.244223	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+NH4"	18.033823
"787547"	501.349423	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+NH4"	18.033823
"1683879"	179.139023	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+NH4"	18.033823
"333617"	170.6257495	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H+NH4"	19.041099
"727131"	251.1783495	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H+NH4"	19.041099
"1477426"	90.0731495	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+NH4"	19.041099
"393188"	345.199618	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Na"	22.989218
"755525"	506.304818	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+Na"	22.989218
"1604108"	184.094418	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na"	22.989218
"315360"	173.103447	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H+Na"	23.996494
"708386"	253.656047	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H+Na"	23.996494
"1467194"	92.550847	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+Na"	23.996494
"1058254"	62.0363233333333	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2H+Na"	25.00377
"1265402"	194.138686	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+CH3OH+H"	33.033486
"381789"	361.173558	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+K"	38.963158
"740232"	522.278758	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+K"	38.963158
"1543378"	200.068358	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+K"	38.963158
"302010"	181.090417	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H+K"	39.970434
"698807"	261.643017	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H+K"	39.970434
"1453721"	100.537817	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+K"	39.970434
"242322"	364.244226	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+ACN+H"	42.033826
"1219404"	203.139026	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+ACN+H"	42.033826
"1198913"	102.073151	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+ACN+2H"	43.041102
"194337"	367.18156	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2Na-H"	44.97116
"632439"	528.28676	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2Na-H"	44.97116
"1132666"	206.07636	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2Na-H"	44.97116
"178145"	184.094418	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2Na"	45.978436
"620985"	264.647018	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2Na"	45.978436
"1119025"	103.541818	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2Na"	45.978436
"1400726"	69.3636373333333	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+2Na"	46.985712
"1436852"	208.117946	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+HCOOH"	47.012746
"229830"	189.12744	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+3H2O+2H"	56.04448
"1513519"	222.16999	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+IsoProp+H"	61.06479
"411028"	192.081388	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Na+K"	61.952376
"773117"	272.633988	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+Na+K"	61.952376
"1672729"	111.528788	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na+K"	61.952376
"260341"	386.226168	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+ACN+Na"	64.015768
"1236327"	225.120968	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+ACN+Na"	64.015768
"1720841"	225.144493	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+NH4+HCOOH"	64.039293
"1185104"	76.6909513333333	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+3Na"	68.967654
"1657184"	230.099888	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na+HCOOH"	68.994688
"166231"	399.12944	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2K-H"	76.91904
"603610"	560.23464	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2K-H"	76.91904
"1090308"	238.02424	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2K-H"	76.91904
"148217"	200.068358	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2K"	77.926316
"587777"	280.620958	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2K"	77.926316
"1079943"	119.515758	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2K"	77.926316
"1107684"	240.038792	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2K+H"	78.933592
"1342977"	240.126407	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+DMSO+H"	79.021207
"1010413"	244.165576	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2ACN+H"	83.060376
"1525862"	245.159208	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+IsoProp+Na+H"	84.054008
"994984"	122.586426	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+2ACN+2H"	84.067652
"1590582"	246.073828	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+K+HCOOH"	84.968628
"1415516"	276.105338	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+CF3COOH"	115.000138
"1152003"	143.099701	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+3ACN+2H"	125.094202
"1699367"	293.131885	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+NH4+CF3COOH"	132.026685
"1638297"	298.08728	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na+CF3COOH"	136.98208
"1572129"	314.06122	"C00318"	"L-Carnitine;L-gamma-Trimethyl-beta-hydroxybutyrobetaine;Vitamin BT;3-Carboxy-2-hydroxy-NNN-trimethyl-1-propanaminium hydroxide inner salt;Levocarnitine;(R)-Carnitine"	"C7H15NO3"	"161.1052"	"M+K+CF3COOH"	152.95602
"815862"	299.2824	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M"	0
"988791"	280.26401	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-H2O-H"	-19.01839
"75939"	198.514324	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M-3H"	-3.021828
"513315"	298.275124	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M-3H"	-3.021828
"880182"	98.753524	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-3H"	-3.021828
"3131"	298.275124	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M-2H"	-2.014552
"442692"	447.916324	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M-2H"	-2.014552
"824867"	148.633924	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-2H"	-2.014552
"79390"	597.557524	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M-H"	-1.007276
"519678"	896.839924	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M-H"	-1.007276
"898207"	298.275124	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-H"	-1.007276
"49667"	614.584071	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M-2H+NH4"	16.019271
"488009"	913.866471	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M-2H+NH4"	16.019271
"866299"	315.301671	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-2H+NH4"	16.019271
"39673"	619.539466	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M-2H+Na"	20.974666
"486655"	918.821866	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M-2H+Na"	20.974666
"859225"	320.257066	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-2H+Na"	20.974666
"1624384"	320.257066	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Na-2H"	20.974666
"102005"	316.263463	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M-H+Cl"	33.962126
"544846"	465.904663	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M-H+Cl"	33.962126
"937269"	166.622263	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-H+Cl"	33.962126
"280933"	633.534202	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+Cl"	34.969402
"671531"	932.816602	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+Cl"	34.969402
"1282838"	334.251802	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Cl"	34.969402
"22117"	635.513406	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M-2H+K"	36.948606
"462770"	934.795806	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M-2H+K"	36.948606
"840574"	336.231006	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-2H+K"	36.948606
"1564063"	336.231006	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+K-2H"	36.948606
"948663"	344.280594	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-H+HCOOH"	44.998194
"369064"	643.563001	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+HCOOH-H"	44.998201
"354046"	657.578651	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+Hac-H"	59.013851
"1499595"	358.296251	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Hac-H"	59.013851
"961671"	366.262551	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-H+NaCOOH"	66.980151
"117141"	334.251802	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+2Cl"	69.938804
"555608"	483.893002	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+2Cl"	69.938804
"1028779"	184.610602	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2Cl"	69.938804
"1243256"	378.201285	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Br"	78.918885
"1307526"	380.257272	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Cl+HCOOH"	80.974872
"1321379"	402.239229	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Cl+NaCOOH"	102.956829
"915355"	412.267986	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M-H+CF3COOH"	112.985586
"1292064"	448.244664	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Cl+CF3COOH"	148.962264
"1375329"	264.269724	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H-2H2O"	-35.012676
"1390638"	282.2797	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H-H2O"	-17.0027
"288136"	599.572076	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+H"	1.007276
"679468"	898.854476	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+H"	1.007276
"1359097"	300.289676	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H"	1.007276
"134172"	300.289676	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+2H"	2.014552
"572642"	449.930876	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+2H"	2.014552
"1040715"	150.648476	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2H"	2.014552
"210441"	200.528876	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+3H"	3.021828
"647819"	300.289676	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+3H"	3.021828
"1163391"	100.768076	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+3H"	3.021828
"425932"	616.598623	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+NH4"	18.033823
"787292"	915.881023	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+NH4"	18.033823
"1684354"	317.316223	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+NH4"	18.033823
"335915"	308.8029495	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+H+NH4"	19.041099
"727242"	458.4441495	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+H+NH4"	19.041099
"1477658"	159.1617495	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H+NH4"	19.041099
"393056"	621.554018	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+Na"	22.989218
"756365"	920.836418	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+Na"	22.989218
"1605556"	322.271618	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Na"	22.989218
"315349"	311.280647	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+H+Na"	23.996494
"708254"	460.921847	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+H+Na"	23.996494
"1469491"	161.639447	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H+Na"	23.996494
"1059457"	108.09539	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2H+Na"	25.00377
"1263325"	332.315886	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+CH3OH+H"	33.033486
"381899"	637.527958	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+K"	38.963158
"741801"	936.810358	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+K"	38.963158
"1544948"	338.245558	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+K"	38.963158
"302120"	319.267617	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+H+K"	39.970434
"700011"	468.908817	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+H+K"	39.970434
"1454924"	169.626417	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H+K"	39.970434
"243525"	640.598626	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+ACN+H"	42.033826
"1218421"	341.316226	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+ACN+H"	42.033826
"1197930"	171.161751	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+ACN+2H"	43.041102
"194082"	643.53596	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+2Na-H"	44.97116
"632549"	942.81836	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+2Na-H"	44.97116
"1134599"	344.25356	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2Na-H"	44.97116
"178255"	322.271618	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+2Na"	45.978436
"620001"	471.912818	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+2Na"	45.978436
"1118407"	172.630418	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2Na"	45.978436
"1401321"	115.422704	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H+2Na"	46.985712
"1436962"	346.295146	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H+HCOOH"	47.012746
"230669"	327.30464	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+3H2O+2H"	56.04448
"1511076"	360.34719	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+IsoProp+H"	61.06479
"411138"	330.258588	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+Na+K"	61.952376
"775414"	479.899788	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+Na+K"	61.952376
"1673933"	180.617388	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Na+K"	61.952376
"261546"	662.580568	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+ACN+Na"	64.015768
"1232065"	363.298168	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+ACN+Na"	64.015768
"1719858"	363.321693	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+NH4+HCOOH"	64.039293
"1184120"	122.750018	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+3Na"	68.967654
"1656200"	368.277088	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Na+HCOOH"	68.994688
"163061"	675.48384	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+2K-H"	76.91904
"605903"	974.76624	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+2K-H"	76.91904
"1090052"	376.20144	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2K-H"	76.91904
"149420"	338.245558	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"2M+2K"	77.926316
"588983"	487.886758	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"3M+2K"	77.926316
"1080052"	188.604358	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2K"	77.926316
"1108886"	378.215992	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2K+H"	78.933592
"1340900"	378.303607	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+DMSO+H"	79.021207
"1010524"	382.342776	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2ACN+H"	83.060376
"1525366"	383.336408	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+IsoProp+Na+H"	84.054008
"994001"	191.675026	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+2ACN+2H"	84.067652
"1588507"	384.251028	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+K+HCOOH"	84.968628
"1414530"	414.282538	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+H+CF3COOH"	115.000138
"1153206"	212.188301	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+3ACN+2H"	125.094202
"1700570"	431.309085	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+NH4+CF3COOH"	132.026685
"1636584"	436.26448	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+Na+CF3COOH"	136.98208
"1573332"	452.23842	"C00319"	"Sphingosine;Sphingenine;Sphingoid;Sphing-4-enine"	"C18H37NO2"	"299.2824"	"M+K+CF3COOH"	152.95602
"816587"	112.9367	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M"	0
"988903"	93.91831	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-H2O-H"	-19.01839
"77143"	74.2838573333333	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M-3H"	-3.021828
"510145"	111.929424	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M-3H"	-3.021828
"881385"	36.6382906666667	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-3H"	-3.021828
"1055"	111.929424	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M-2H"	-2.014552
"440980"	168.397774	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M-2H"	-2.014552
"823885"	55.461074	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-2H"	-2.014552
"79987"	224.866124	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M-H"	-1.007276
"520150"	337.802824	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M-H"	-1.007276
"898317"	111.929424	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-H"	-1.007276
"49046"	241.892671	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M-2H+NH4"	16.019271
"488239"	354.829371	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M-2H+NH4"	16.019271
"866043"	128.955971	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-2H+NH4"	16.019271
"32485"	246.848066	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M-2H+Na"	20.974666
"484693"	359.784766	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M-2H+Na"	20.974666
"856056"	133.911366	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-2H+Na"	20.974666
"1620122"	133.911366	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Na-2H"	20.974666
"97743"	129.917763	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M-H+Cl"	33.962126
"538397"	186.386113	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M-H+Cl"	33.962126
"930819"	73.449413	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-H+Cl"	33.962126
"279951"	260.842802	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+Cl"	34.969402
"669452"	373.779502	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+Cl"	34.969402
"1284042"	147.906102	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Cl"	34.969402
"23322"	262.822006	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M-2H+K"	36.948606
"463975"	375.758706	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M-2H+K"	36.948606
"842872"	149.885306	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-2H+K"	36.948606
"1565266"	149.885306	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+K-2H"	36.948606
"950960"	157.934894	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-H+HCOOH"	44.998194
"371361"	270.871601	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+HCOOH-H"	44.998201
"355247"	284.887251	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+Hac-H"	59.013851
"1500797"	171.950551	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Hac-H"	59.013851
"965061"	179.916851	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-H+NaCOOH"	66.980151
"120532"	147.906102	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+2Cl"	69.938804
"557904"	204.374452	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+2Cl"	69.938804
"1025609"	91.437752	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2Cl"	69.938804
"1248469"	191.855585	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Br"	78.918885
"1306541"	193.911572	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Cl+HCOOH"	80.974872
"1324041"	215.893529	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Cl+NaCOOH"	102.956829
"915101"	225.922286	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M-H+CF3COOH"	112.985586
"1292174"	261.898964	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Cl+CF3COOH"	148.962264
"1377262"	77.924024	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H-2H2O"	-35.012676
"1391841"	95.934	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H-H2O"	-17.0027
"289339"	226.880676	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+H"	1.007276
"682859"	339.817376	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+H"	1.007276
"1359207"	113.943976	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H"	1.007276
"134282"	113.943976	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+2H"	2.014552
"572752"	170.412326	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+2H"	2.014552
"1039368"	57.475626	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2H"	2.014552
"209458"	76.2984093333333	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+3H"	3.021828
"644525"	113.943976	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+3H"	3.021828
"1162928"	38.6528426666667	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+3H"	3.021828
"424825"	243.907223	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+NH4"	18.033823
"786674"	356.843923	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+NH4"	18.033823
"1681911"	130.970523	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+NH4"	18.033823
"331285"	122.4572495	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+H+NH4"	19.041099
"725529"	178.9255995	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+H+NH4"	19.041099
"1477321"	65.9888995	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H+NH4"	19.041099
"393078"	248.862618	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+Na"	22.989218
"754396"	361.799318	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+Na"	22.989218
"1602820"	135.925918	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Na"	22.989218
"314429"	124.934947	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+H+Na"	23.996494
"707260"	181.403297	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+H+Na"	23.996494
"1466321"	68.466597	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H+Na"	23.996494
"1056287"	45.9801566666667	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2H+Na"	25.00377
"1266715"	145.970186	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+CH3OH+H"	33.033486
"382009"	264.836558	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+K"	38.963158
"741911"	377.773258	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+K"	38.963158
"1542141"	151.899858	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+K"	38.963158
"298828"	132.921917	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+H+K"	39.970434
"693561"	189.390267	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+H+K"	39.970434
"1450661"	76.453567	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H+K"	39.970434
"243637"	267.907226	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+ACN+H"	42.033826
"1213065"	154.970526	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+ACN+H"	42.033826
"1199133"	77.988901	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+ACN+2H"	43.041102
"189817"	270.84456	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+2Na-H"	44.97116
"629379"	383.78126	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+2Na-H"	44.97116
"1132520"	157.90786	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2Na-H"	44.97116
"175812"	135.925918	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+2Na"	45.978436
"615737"	192.394268	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+2Na"	45.978436
"1120698"	79.457568	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2Na"	45.978436
"1401672"	53.3074706666667	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H+2Na"	46.985712
"1433792"	159.949446	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H+HCOOH"	47.012746
"231143"	140.95894	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+3H2O+2H"	56.04448
"1510458"	174.00149	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+IsoProp+H"	61.06479
"411248"	143.912888	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+Na+K"	61.952376
"771513"	200.381238	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+Na+K"	61.952376
"1671856"	87.444538	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Na+K"	61.952376
"260562"	289.889168	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+ACN+Na"	64.015768
"1231082"	176.952468	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+ACN+Na"	64.015768
"1718875"	176.975993	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+NH4+HCOOH"	64.039293
"1184230"	60.6347846666667	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+3Na"	68.967654
"1656310"	181.931388	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Na+HCOOH"	68.994688
"163171"	302.79244	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+2K-H"	76.91904
"606013"	415.72914	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+2K-H"	76.91904
"1091621"	189.85574	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2K-H"	76.91904
"151718"	151.899858	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"2M+2K"	77.926316
"590185"	208.368208	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"3M+2K"	77.926316
"1080162"	95.431508	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2K"	77.926316
"1108997"	191.870292	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2K+H"	78.933592
"1341010"	191.957907	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+DMSO+H"	79.021207
"1010634"	195.997076	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2ACN+H"	83.060376
"1526571"	196.990708	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+IsoProp+Na+H"	84.054008
"997391"	98.502176	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+2ACN+2H"	84.067652
"1589710"	197.905328	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+K+HCOOH"	84.968628
"1417559"	227.936838	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+H+CF3COOH"	115.000138
"1153316"	119.015451	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+3ACN+2H"	125.094202
"1700680"	244.963385	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+NH4+CF3COOH"	132.026685
"1637423"	249.91878	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+Na+CF3COOH"	136.98208
"1572105"	265.89272	"C00320"	"Thiosulfate;Hyposulfite"	"HS2O3"	"112.9367"	"M+K+CF3COOH"	152.95602
"816884"	160.0372	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M"	0
"988649"	141.01881	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-H2O-H"	-19.01839
"78406"	105.684190666667	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M-3H"	-3.021828
"508068"	159.029924	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M-3H"	-3.021828
"880766"	52.3384573333333	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-3H"	-3.021828
"2258"	159.029924	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M-2H"	-2.014552
"442183"	239.048524	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M-2H"	-2.014552
"823995"	79.011324	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-2H"	-2.014552
"80704"	319.067124	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M-H"	-1.007276
"520260"	479.104324	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M-H"	-1.007276
"898063"	159.029924	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-H"	-1.007276
"49157"	336.093671	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M-2H+NH4"	16.019271
"488107"	496.130871	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M-2H+NH4"	16.019271
"866517"	176.056471	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-2H+NH4"	16.019271
"33324"	341.049066	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M-2H+Na"	20.974666
"484560"	501.086266	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M-2H+Na"	20.974666
"852886"	181.011866	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-2H+Na"	20.974666
"1620232"	181.011866	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Na-2H"	20.974666
"100040"	177.018263	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M-H+Cl"	33.962126
"537414"	257.036863	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M-H+Cl"	33.962126
"934209"	96.999663	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-H+Cl"	33.962126
"280913"	355.043802	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+Cl"	34.969402
"669562"	515.081002	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+Cl"	34.969402
"1281965"	195.006602	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Cl"	34.969402
"25619"	357.023006	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M-2H+K"	36.948606
"466271"	517.060206	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M-2H+K"	36.948606
"842983"	196.985806	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-2H+K"	36.948606
"1564284"	196.985806	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+K-2H"	36.948606
"951070"	205.035394	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-H+HCOOH"	44.998194
"370378"	365.072601	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+HCOOH-H"	44.998201
"356450"	379.088251	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+Hac-H"	59.013851
"1500907"	219.051051	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Hac-H"	59.013851
"964078"	227.017351	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-H+NaCOOH"	66.980151
"122829"	195.006602	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+2Cl"	69.938804
"558016"	275.025202	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+2Cl"	69.938804
"1027907"	114.988002	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2Cl"	69.938804
"1248579"	238.956085	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Br"	78.918885
"1306652"	241.012072	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Cl+HCOOH"	80.974872
"1326338"	262.994029	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Cl+NaCOOH"	102.956829
"916304"	273.022786	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M-H+CF3COOH"	112.985586
"1291920"	308.999464	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Cl+CF3COOH"	148.962264
"1376643"	125.024524	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H-2H2O"	-35.012676
"1390858"	143.0345	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H-H2O"	-17.0027
"288356"	321.081676	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+H"	1.007276
"679686"	481.118876	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+H"	1.007276
"1352389"	161.044476	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H"	1.007276
"126736"	161.044476	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+2H"	2.014552
"569213"	241.063076	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+2H"	2.014552
"1043851"	81.025876	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2H"	2.014552
"209568"	107.698742666667	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+3H"	3.021828
"644673"	161.044476	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+3H"	3.021828
"1163733"	54.3530093333333	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+3H"	3.021828
"425542"	338.108223	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+NH4"	18.033823
"787511"	498.145423	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+NH4"	18.033823
"1682746"	178.071023	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+NH4"	18.033823
"332854"	169.5577495	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+H+NH4"	19.041099
"727825"	249.5763495	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+H+NH4"	19.041099
"1477391"	89.5391495	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H+NH4"	19.041099
"394857"	343.063618	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+Na"	22.989218
"755244"	503.100818	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+Na"	22.989218
"1603950"	183.026418	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Na"	22.989218
"315080"	172.035447	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+H+Na"	23.996494
"707372"	252.054047	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+H+Na"	23.996494
"1464607"	92.016847	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H+Na"	23.996494
"1055303"	61.6803233333333	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2H+Na"	25.00377
"1266825"	193.070686	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+CH3OH+H"	33.033486
"385399"	359.037558	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+K"	38.963158
"740196"	519.074758	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+K"	38.963158
"1540260"	199.000358	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+K"	38.963158
"299905"	180.022417	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+H+K"	39.970434
"698044"	260.041017	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+H+K"	39.970434
"1445789"	100.003817	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H+K"	39.970434
"240466"	362.108226	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+ACN+H"	42.033826
"1217547"	202.071026	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+ACN+H"	42.033826
"1197052"	101.539151	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+ACN+2H"	43.041102
"191383"	365.04556	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+2Na-H"	44.97116
"631672"	525.08276	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+2Na-H"	44.97116
"1134452"	205.00836	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2Na-H"	44.97116
"175193"	183.026418	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+2Na"	45.978436
"618035"	263.045018	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+2Na"	45.978436
"1120444"	103.007818	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2Na"	45.978436
"1399718"	69.0076373333333	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H+2Na"	46.985712
"1434995"	207.049946	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H+HCOOH"	47.012746
"231253"	188.05944	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+3H2O+2H"	56.04448
"1510568"	221.10199	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+IsoProp+H"	61.06479
"411359"	191.013388	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+Na+K"	61.952376
"775634"	271.031988	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+Na+K"	61.952376
"1671966"	110.994788	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Na+K"	61.952376
"259578"	384.090168	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+ACN+Na"	64.015768
"1230099"	224.052968	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+ACN+Na"	64.015768
"1718985"	224.076493	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+NH4+HCOOH"	64.039293
"1183247"	76.3349513333333	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+3Na"	68.967654
"1655327"	229.031888	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Na+HCOOH"	68.994688
"162187"	396.99344	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+2K-H"	76.91904
"606123"	557.03064	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+2K-H"	76.91904
"1092823"	236.95624	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2K-H"	76.91904
"150734"	199.000358	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"2M+2K"	77.926316
"591388"	279.018958	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"3M+2K"	77.926316
"1080272"	118.981758	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2K"	77.926316
"1103640"	238.970792	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2K+H"	78.933592
"1341120"	239.058407	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+DMSO+H"	79.021207
"1011838"	243.097576	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2ACN+H"	83.060376
"1526682"	244.091208	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+IsoProp+Na+H"	84.054008
"995315"	122.052426	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+2ACN+2H"	84.067652
"1589819"	245.005828	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+K+HCOOH"	84.968628
"1417669"	275.037338	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+H+CF3COOH"	115.000138
"1152333"	142.565701	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+3ACN+2H"	125.094202
"1700790"	292.063885	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+NH4+CF3COOH"	132.026685
"1637533"	297.01928	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+Na+CF3COOH"	136.98208
"1573188"	312.99322	"C00322"	"2-Oxoadipate;2-Oxoadipic acid"	"C6H8O5"	"160.0372"	"M+K+CF3COOH"	152.95602
"816806"	929.1469	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M"	0
"989838"	910.12851	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-H2O-H"	-19.01839
"76997"	618.423990666667	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M-3H"	-3.021828
"515833"	928.139624	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M-3H"	-3.021828
"882698"	308.708357333333	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-3H"	-3.021828
"2366"	928.139624	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M-2H"	-2.014552
"442290"	1392.713074	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M-2H"	-2.014552
"821917"	463.566174	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-2H"	-2.014552
"81175"	1857.286524	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M-H"	-1.007276
"521469"	2786.433424	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M-H"	-1.007276
"900362"	928.139624	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-H"	-1.007276
"52552"	1874.313071	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M-2H+NH4"	16.019271
"490653"	2803.459971	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M-2H+NH4"	16.019271
"869914"	945.166171	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-2H+NH4"	16.019271
"34170"	1879.268466	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M-2H+Na"	20.974666
"486130"	2808.415366	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M-2H+Na"	20.974666
"862473"	950.121566	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-2H+Na"	20.974666
"1627996"	950.121566	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Na-2H"	20.974666
"95777"	946.127963	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M-H+Cl"	33.962126
"540804"	1410.701413	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M-H+Cl"	33.962126
"932132"	481.554513	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-H+Cl"	33.962126
"281262"	1893.263202	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+Cl"	34.969402
"668579"	2822.410102	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+Cl"	34.969402
"1279888"	964.116302	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Cl"	34.969402
"28646"	1895.242406	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M-2H+K"	36.948606
"467478"	2824.389306	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M-2H+K"	36.948606
"845281"	966.095506	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-2H+K"	36.948606
"1563302"	966.095506	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+K-2H"	36.948606
"951185"	974.145094	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-H+HCOOH"	44.998194
"369400"	1903.292001	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+HCOOH-H"	44.998201
"352917"	1917.307651	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+Hac-H"	59.013851
"1502111"	988.160751	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Hac-H"	59.013851
"969651"	996.127051	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-H+NaCOOH"	66.980151
"118565"	964.116302	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+2Cl"	69.938804
"557033"	1428.689752	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+2Cl"	69.938804
"1028017"	499.542852	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2Cl"	69.938804
"1247596"	1008.065785	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Br"	78.918885
"1307129"	1010.121772	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Cl+HCOOH"	80.974872
"1324262"	1032.103729	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Cl+NaCOOH"	102.956829
"922979"	1042.132486	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M-H+CF3COOH"	112.985586
"1299687"	1078.109164	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Cl+CF3COOH"	148.962264
"1376753"	894.134224	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H-2H2O"	-35.012676
"1393156"	912.1442	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H-H2O"	-17.0027
"286646"	1859.301076	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+H"	1.007276
"681983"	2788.447976	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+H"	1.007276
"1355052"	930.154176	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H"	1.007276
"128304"	930.154176	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+2H"	2.014552
"570782"	1394.727626	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+2H"	2.014552
"1042138"	465.580726	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2H"	2.014552
"211864"	620.438542666667	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+3H"	3.021828
"648149"	930.154176	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+3H"	3.021828
"1168462"	310.722909333333	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+3H"	3.021828
"429544"	1876.327623	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+NH4"	18.033823
"791633"	2805.474523	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+NH4"	18.033823
"1686870"	947.180723	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+NH4"	18.033823
"333328"	938.6674495	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+H+NH4"	19.041099
"726479"	1403.2408995	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+H+NH4"	19.041099
"1480297"	474.0939995	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H+NH4"	19.041099
"395696"	1881.283018	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+Na"	22.989218
"755113"	2810.429918	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+Na"	22.989218
"1604426"	952.136118	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Na"	22.989218
"316649"	941.145147	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+H+Na"	23.996494
"708098"	1405.718597	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+H+Na"	23.996494
"1467634"	476.571697	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H+Na"	23.996494
"1057600"	318.050223333333	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2H+Na"	25.00377
"1271314"	962.180386	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+CH3OH+H"	33.033486
"389886"	1897.256958	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+K"	38.963158
"742131"	2826.403858	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+K"	38.963158
"1541997"	968.110058	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+K"	38.963158
"301359"	949.132117	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+H+K"	39.970434
"695966"	1413.705567	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+H+K"	39.970434
"1449057"	484.558667	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H+K"	39.970434
"241670"	1900.327626	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+ACN+H"	42.033826
"1213649"	971.180726	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+ACN+H"	42.033826
"1199353"	486.094001	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+ACN+2H"	43.041102
"190402"	1903.26496	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+2Na-H"	44.97116
"631421"	2832.41186	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+2Na-H"	44.97116
"1134562"	974.11806	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2Na-H"	44.97116
"175303"	952.136118	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+2Na"	45.978436
"615955"	1416.709568	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+2Na"	45.978436
"1119462"	487.562668	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2Na"	45.978436
"1402253"	325.377537333333	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H+2Na"	46.985712
"1432549"	976.159646	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H+HCOOH"	47.012746
"221275"	957.16914	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+3H2O+2H"	56.04448
"1512863"	990.21169	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+IsoProp+H"	61.06479
"419854"	960.123088	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+Na+K"	61.952376
"780120"	1424.696538	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+Na+K"	61.952376
"1677544"	495.549638	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Na+K"	61.952376
"261874"	1922.309568	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+ACN+Na"	64.015768
"1234583"	993.162668	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+ACN+Na"	64.015768
"1723468"	993.186193	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+NH4+HCOOH"	64.039293
"1186637"	332.704851333333	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+3Na"	68.967654
"1655437"	998.141588	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Na+HCOOH"	68.994688
"162297"	1935.21284	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+2K-H"	76.91904
"611579"	2864.35974	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+2K-H"	76.91904
"1095119"	1006.06594	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2K-H"	76.91904
"149749"	968.110058	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"2M+2K"	77.926316
"589309"	1432.683508	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"3M+2K"	77.926316
"1078196"	503.536608	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2K"	77.926316
"1107030"	1008.080492	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2K+H"	78.933592
"1341229"	1008.168107	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+DMSO+H"	79.021207
"1013042"	1012.207276	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2ACN+H"	83.060376
"1526064"	1013.200908	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+IsoProp+Na+H"	84.054008
"998709"	506.607276	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+2ACN+2H"	84.067652
"1597587"	1014.115528	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+K+HCOOH"	84.968628
"1419966"	1044.147038	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+H+CF3COOH"	115.000138
"1155723"	527.120551	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+3ACN+2H"	125.094202
"1703086"	1061.173585	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+NH4+CF3COOH"	132.026685
"1639830"	1066.12898	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+Na+CF3COOH"	136.98208
"1574391"	1082.10292	"C00323"	"Caffeoyl-CoA;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoyl-CoA"	"C30H42N7O19P3S"	"929.1469"	"M+K+CF3COOH"	152.95602
"816752"	211.9534	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M"	0
"988867"	192.93501	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-H2O-H"	-19.01839
"77474"	140.294990666667	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M-3H"	-3.021828
"506102"	210.946124	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M-3H"	-3.021828
"884997"	69.6438573333333	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-3H"	-3.021828
"2477"	210.946124	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M-2H"	-2.014552
"440695"	316.922824	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M-2H"	-2.014552
"819840"	104.969424	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-2H"	-2.014552
"81652"	422.899524	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M-H"	-1.007276
"524860"	634.852924	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M-H"	-1.007276
"902661"	210.946124	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-H"	-1.007276
"51569"	439.926071	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M-2H+NH4"	16.019271
"492222"	651.879471	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M-2H+NH4"	16.019271
"869295"	227.972671	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-2H+NH4"	16.019271
"36465"	444.881466	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M-2H+Na"	20.974666
"485143"	656.834866	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M-2H+Na"	20.974666
"862583"	232.928066	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-2H+Na"	20.974666
"1624826"	232.928066	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Na-2H"	20.974666
"98074"	228.934463	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M-H+Cl"	33.962126
"537635"	334.911163	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M-H+Cl"	33.962126
"934430"	122.957763	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-H+Cl"	33.962126
"281372"	458.876202	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+Cl"	34.969402
"671605"	670.829602	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+Cl"	34.969402
"1284372"	246.922802	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Cl"	34.969402
"28757"	460.855406	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M-2H+K"	36.948606
"468682"	672.808806	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M-2H+K"	36.948606
"843206"	248.902006	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-2H+K"	36.948606
"1565599"	248.902006	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+K-2H"	36.948606
"951296"	256.951594	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-H+HCOOH"	44.998194
"368418"	468.905001	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+HCOOH-H"	44.998201
"355580"	482.920651	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+Hac-H"	59.013851
"1503316"	270.967251	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Hac-H"	59.013851
"968669"	278.933551	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-H+NaCOOH"	66.980151
"123050"	246.922802	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+2Cl"	69.938804
"562609"	352.899502	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+2Cl"	69.938804
"1032501"	140.946102	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2Cl"	69.938804
"1248798"	290.872285	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Br"	78.918885
"1310156"	292.928272	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Cl+HCOOH"	80.974872
"1329840"	314.910229	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Cl+NaCOOH"	102.956829
"918711"	324.938986	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M-H+CF3COOH"	112.985586
"1299797"	360.915664	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Cl+CF3COOH"	148.962264
"1375770"	176.940724	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H-2H2O"	-35.012676
"1393266"	194.9507	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H-H2O"	-17.0027
"288578"	424.914076	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+H"	1.007276
"679908"	636.867476	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+H"	1.007276
"1356256"	212.960676	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H"	1.007276
"129147"	212.960676	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+2H"	2.014552
"568707"	318.937376	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+2H"	2.014552
"1044071"	106.983976	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2H"	2.014552
"211974"	142.309542666667	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+3H"	3.021828
"648259"	212.960676	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+3H"	3.021828
"1167479"	71.6584093333333	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+3H"	3.021828
"429655"	441.940623	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+NH4"	18.033823
"792836"	653.894023	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+NH4"	18.033823
"1685887"	229.987223	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+NH4"	18.033823
"335261"	221.4739495	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+H+NH4"	19.041099
"730962"	327.4506495	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+H+NH4"	19.041099
"1482595"	115.4972495	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H+NH4"	19.041099
"396901"	446.896018	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+Na"	22.989218
"756805"	658.849418	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+Na"	22.989218
"1609277"	234.942618	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Na"	22.989218
"315666"	223.951647	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+H+Na"	23.996494
"713924"	329.928347	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+H+Na"	23.996494
"1468837"	117.974947	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H+Na"	23.996494
"1062084"	78.9857233333333	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2H+Na"	25.00377
"1271787"	244.986886	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+CH3OH+H"	33.033486
"389995"	462.869958	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+K"	38.963158
"742242"	674.823358	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+K"	38.963158
"1541743"	250.916558	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+K"	38.963158
"302563"	231.938617	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+H+K"	39.970434
"696078"	337.915317	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+H+K"	39.970434
"1447343"	125.961917	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H+K"	39.970434
"238864"	465.940626	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+ACN+H"	42.033826
"1213759"	253.987226	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+ACN+H"	42.033826
"1200558"	127.497251	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+ACN+2H"	43.041102
"194521"	468.87796	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+2Na-H"	44.97116
"634083"	680.83136	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+2Na-H"	44.97116
"1135766"	256.92456	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2Na-H"	44.97116
"179056"	234.942618	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+2Na"	45.978436
"617521"	340.919318	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+2Na"	45.978436
"1121759"	128.965918	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2Na"	45.978436
"1401637"	86.3130373333333	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H+2Na"	46.985712
"1434481"	258.966146	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H+HCOOH"	47.012746
"223816"	239.97564	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+3H2O+2H"	56.04448
"1511880"	273.01819	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+IsoProp+H"	61.06479
"419235"	242.929588	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+Na+K"	61.952376
"781323"	348.906288	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+Na+K"	61.952376
"1677654"	136.952888	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Na+K"	61.952376
"258705"	487.922568	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+ACN+Na"	64.015768
"1232507"	275.969168	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+ACN+Na"	64.015768
"1720298"	275.992693	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+NH4+HCOOH"	64.039293
"1185654"	93.6403513333333	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+3Na"	68.967654
"1656640"	280.948088	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Na+HCOOH"	68.994688
"164592"	500.82584	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+2K-H"	76.91904
"607436"	712.77924	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+2K-H"	76.91904
"1094136"	288.87244	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2K-H"	76.91904
"147672"	250.916558	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"2M+2K"	77.926316
"589418"	356.893258	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"3M+2K"	77.926316
"1075024"	144.939858	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2K"	77.926316
"1109328"	290.886992	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2K+H"	78.933592
"1341338"	290.974607	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+DMSO+H"	79.021207
"1014240"	295.013776	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2ACN+H"	83.060376
"1528359"	296.007408	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+IsoProp+Na+H"	84.054008
"997723"	148.010526	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+2ACN+2H"	84.067652
"1594414"	296.922028	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+K+HCOOH"	84.968628
"1417159"	326.953538	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+H+CF3COOH"	115.000138
"1150364"	168.523801	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+3ACN+2H"	125.094202
"1698090"	343.980085	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+NH4+CF3COOH"	132.026685
"1636659"	348.93548	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+Na+CF3COOH"	136.98208
"1573408"	364.90942	"C00324"	"Ferricyanide;Hexacyanoferrate(III)"	"C6FeN6"	"211.9534"	"M+K+CF3COOH"	152.95602
"816835"	589.0822	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M"	0
"988976"	570.06381	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-H2O-H"	-19.01839
"78232"	391.714190666667	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M-3H"	-3.021828
"510585"	588.074924	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M-3H"	-3.021828
"884011"	195.353457333333	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-3H"	-3.021828
"880"	588.074924	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H"	-2.014552
"441049"	882.616024	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H"	-2.014552
"818854"	293.533824	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-2H"	-2.014552
"82129"	1177.157124	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M-H"	-1.007276
"522783"	1766.239324	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M-H"	-1.007276
"898760"	588.074924	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-H"	-1.007276
"50587"	1194.183671	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+NH4"	16.019271
"496708"	1783.265871	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+NH4"	16.019271
"870500"	605.101471	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-2H+NH4"	16.019271
"36211"	1199.139066	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+Na"	20.974666
"486226"	1788.221266	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+Na"	20.974666
"861964"	610.056866	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-2H+Na"	20.974666
"1627123"	610.056866	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Na-2H"	20.974666
"103652"	606.063263	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M-H+Cl"	33.962126
"544306"	900.604363	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M-H+Cl"	33.962126
"940009"	311.522163	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-H+Cl"	33.962126
"279660"	1213.133802	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+Cl"	34.969402
"670986"	1802.216002	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+Cl"	34.969402
"1284487"	624.051602	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl"	34.969402
"28137"	1215.113006	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+K"	36.948606
"466604"	1804.195206	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+K"	36.948606
"843315"	626.030806	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-2H+K"	36.948606
"1564615"	626.030806	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+K-2H"	36.948606
"951404"	634.080394	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-H+HCOOH"	44.998194
"369621"	1223.162601	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+HCOOH-H"	44.998201
"353503"	1237.178251	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+Hac-H"	59.013851
"1497595"	648.096051	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Hac-H"	59.013851
"965502"	656.062351	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-H+NaCOOH"	66.980151
"120973"	624.051602	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+2Cl"	69.938804
"562719"	918.592702	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+2Cl"	69.938804
"1031518"	329.510502	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2Cl"	69.938804
"1247816"	668.001085	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Br"	78.918885
"1308807"	670.057072	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+HCOOH"	80.974872
"1324118"	692.039029	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+NaCOOH"	102.956829
"913353"	702.067786	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M-H+CF3COOH"	112.985586
"1294438"	738.044464	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+CF3COOH"	148.962264
"1372598"	554.069524	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H-2H2O"	-35.012676
"1390096"	572.0795	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H-H2O"	-17.0027
"288688"	1179.171676	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+H"	1.007276
"681475"	1768.253876	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+H"	1.007276
"1357458"	590.089476	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H"	1.007276
"127793"	590.089476	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+2H"	2.014552
"569910"	884.630576	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+2H"	2.014552
"1040902"	295.548376	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2H"	2.014552
"207711"	393.728742666667	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+3H"	3.021828
"649463"	590.089476	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+3H"	3.021828
"1169776"	197.368009333333	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+3H"	3.021828
"427942"	1196.198223	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+NH4"	18.033823
"792945"	1785.280423	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+NH4"	18.033823
"1688186"	607.116023	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+NH4"	18.033823
"334279"	598.6027495	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+H+NH4"	19.041099
"728886"	893.1438495	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+H+NH4"	19.041099
"1483799"	304.0616495	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H+NH4"	19.041099
"395919"	1201.153618	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+Na"	22.989218
"759102"	1790.235818	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+Na"	22.989218
"1608293"	612.071418	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Na"	22.989218
"315533"	601.080447	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+H+Na"	23.996494
"710754"	895.621547	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+H+Na"	23.996494
"1468947"	306.539347	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H+Na"	23.996494
"1062194"	204.695323333333	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2H+Na"	25.00377
"1271532"	622.115686	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+CH3OH+H"	33.033486
"387919"	1217.127558	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+K"	38.963158
"740894"	1806.209758	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+K"	38.963158
"1542217"	628.045358	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+K"	38.963158
"303037"	609.067417	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+H+K"	39.970434
"692418"	903.608517	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+H+K"	39.970434
"1446846"	314.526317	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H+K"	39.970434
"239704"	1220.198226	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+H"	42.033826
"1212045"	631.116026	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+H"	42.033826
"1197388"	316.061651	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+2H"	43.041102
"193538"	1223.13556	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na-H"	44.97116
"635287"	1812.21776	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na-H"	44.97116
"1135513"	634.05336	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2Na-H"	44.97116
"176979"	612.071418	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na"	45.978436
"617265"	906.612518	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na"	45.978436
"1118587"	317.530318	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2Na"	45.978436
"1400289"	212.022637333333	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H+2Na"	46.985712
"1432040"	636.094946	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H+HCOOH"	47.012746
"222833"	617.10444	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+3H2O+2H"	56.04448
"1511990"	650.14699	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+H"	61.06479
"416064"	620.058388	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+Na+K"	61.952376
"780337"	914.599488	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+Na+K"	61.952376
"1677762"	325.517288	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Na+K"	61.952376
"260999"	1242.180168	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+Na"	64.015768
"1233710"	653.097968	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+Na"	64.015768
"1719317"	653.121493	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+HCOOH"	64.039293
"1190139"	219.349951333333	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+3Na"	68.967654
"1655657"	658.076888	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Na+HCOOH"	68.994688
"162518"	1255.08344	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+2K-H"	76.91904
"607546"	1844.16564	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+2K-H"	76.91904
"1090966"	666.00124	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2K-H"	76.91904
"148874"	628.045358	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"2M+2K"	77.926316
"590621"	922.586458	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"3M+2K"	77.926316
"1075135"	333.504258	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2K"	77.926316
"1110530"	668.015792	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2K+H"	78.933592
"1343635"	668.103407	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+DMSO+H"	79.021207
"1011800"	672.142576	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+H"	83.060376
"1530292"	673.136208	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+Na+H"	84.054008
"997833"	336.574926	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+2H"	84.067652
"1594526"	674.050828	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+K+HCOOH"	84.968628
"1417269"	704.082338	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+H+CF3COOH"	115.000138
"1152661"	357.088201	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+3ACN+2H"	125.094202
"1697715"	721.108885	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+CF3COOH"	132.026685
"1636771"	726.06428	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+Na+CF3COOH"	136.98208
"1575705"	742.03822	"C00325"	"GDP-L-fucose;GDP-beta-L-fucose"	"C16H25N5O15P2"	"589.0822"	"M+K+CF3COOH"	152.95602
"813727"	175.0957	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M"	0
"988723"	156.07731	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-H2O-H"	-19.01839
"71133"	115.723190666667	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M-3H"	-3.021828
"511788"	174.088424	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M-3H"	-3.021828
"884123"	57.3579573333333	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-3H"	-3.021828
"7071"	174.088424	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M-2H"	-2.014552
"445538"	261.636274	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M-2H"	-2.014552
"817872"	86.540574	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-2H"	-2.014552
"79356"	349.184124	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M-H"	-1.007276
"522892"	524.279824	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M-H"	-1.007276
"898507"	174.088424	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-H"	-1.007276
"51789"	366.210671	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M-2H+NH4"	16.019271
"492442"	541.306371	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M-2H+NH4"	16.019271
"871339"	191.114971	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-2H+NH4"	16.019271
"46780"	371.166066	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M-2H+Na"	20.974666
"484274"	546.261766	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M-2H+Na"	20.974666
"857700"	196.070366	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-2H+Na"	20.974666
"1621766"	196.070366	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Na-2H"	20.974666
"96106"	192.076763	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M-H+Cl"	33.962126
"541136"	279.624613	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M-H+Cl"	33.962126
"937932"	104.528913	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-H+Cl"	33.962126
"280502"	385.160802	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+Cl"	34.969402
"673286"	560.256502	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+Cl"	34.969402
"1282410"	210.065102	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Cl"	34.969402
"27154"	387.140006	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M-2H+K"	36.948606
"465623"	562.235706	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M-2H+K"	36.948606
"845612"	212.044306	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-2H+K"	36.948606
"1564727"	212.044306	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+K-2H"	36.948606
"950422"	220.093894	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-H+HCOOH"	44.998194
"366813"	395.189601	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+HCOOH-H"	44.998201
"351789"	409.205251	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+Hac-H"	59.013851
"1503540"	234.109551	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Hac-H"	59.013851
"966708"	242.075851	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-H+NaCOOH"	66.980151
"119990"	210.065102	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+2Cl"	69.938804
"559549"	297.612952	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+2Cl"	69.938804
"1030536"	122.517252	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2Cl"	69.938804
"1248292"	254.014585	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Br"	78.918885
"1312565"	256.070572	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Cl+HCOOH"	80.974872
"1326052"	278.052529	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Cl+NaCOOH"	102.956829
"921121"	288.081286	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M-H+CF3COOH"	112.985586
"1300017"	324.057964	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Cl+CF3COOH"	148.962264
"1378180"	140.083024	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H-2H2O"	-35.012676
"1392395"	158.093	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H-H2O"	-17.0027
"286613"	351.198676	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+H"	1.007276
"677937"	526.294376	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+H"	1.007276
"1354288"	176.102976	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H"	1.007276
"128271"	176.102976	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+2H"	2.014552
"567837"	263.650826	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+2H"	2.014552
"1039191"	88.555126	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2H"	2.014552
"208915"	117.737742666667	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+3H"	3.021828
"647386"	176.102976	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+3H"	3.021828
"1166604"	59.3725093333333	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+3H"	3.021828
"429875"	368.225223	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+NH4"	18.033823
"794150"	543.320923	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+NH4"	18.033823
"1689389"	193.129523	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+NH4"	18.033823
"334387"	184.6162495	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+H+NH4"	19.041099
"725349"	272.1640995	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+H+NH4"	19.041099
"1478686"	97.0683995	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H+NH4"	19.041099
"393596"	373.180618	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+Na"	22.989218
"755929"	548.276318	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+Na"	22.989218
"1602840"	198.084918	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Na"	22.989218
"314711"	187.093947	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+H+Na"	23.996494
"714145"	274.641797	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+H+Na"	23.996494
"1473435"	99.546097	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H+Na"	23.996494
"1068064"	66.6998233333333	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2H+Na"	25.00377
"1270914"	208.129186	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+CH3OH+H"	33.033486
"380738"	389.154558	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+K"	38.963158
"739545"	564.250258	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+K"	38.963158
"1541597"	214.058858	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+K"	38.963158
"299500"	195.080917	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+H+K"	39.970434
"692284"	282.628767	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+H+K"	39.970434
"1447200"	107.533067	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H+K"	39.970434
"237260"	392.225226	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+ACN+H"	42.033826
"1212520"	217.129526	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+ACN+H"	42.033826
"1197860"	109.068401	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+ACN+2H"	43.041102
"189067"	395.16256	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+2Na-H"	44.97116
"629925"	570.25826	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+2Na-H"	44.97116
"1131975"	220.06686	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2Na-H"	44.97116
"174537"	198.084918	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+2Na"	45.978436
"614829"	285.632768	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+2Na"	45.978436
"1116878"	110.537068	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2Na"	45.978436
"1399306"	74.0271373333333	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H+2Na"	46.985712
"1430250"	222.108446	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H+HCOOH"	47.012746
"222948"	203.11794	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+3H2O+2H"	56.04448
"1518675"	236.16049	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+IsoProp+H"	61.06479
"422368"	206.071888	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+Na+K"	61.952376
"779352"	293.619738	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+Na+K"	61.952376
"1672402"	118.524038	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Na+K"	61.952376
"258923"	414.207168	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+ACN+Na"	64.015768
"1232724"	239.111468	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+ACN+Na"	64.015768
"1718328"	239.134993	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+NH4+HCOOH"	64.039293
"1188061"	81.3544513333333	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+3Na"	68.967654
"1660141"	244.090388	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Na+HCOOH"	68.994688
"164815"	427.11044	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+2K-H"	76.91904
"603283"	602.20614	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+2K-H"	76.91904
"1088889"	252.01474	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2K-H"	76.91904
"148984"	214.058858	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"2M+2K"	77.926316
"588545"	301.606708	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"3M+2K"	77.926316
"1077431"	126.511008	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2K"	77.926316
"1112828"	254.029292	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2K+H"	78.933592
"1343744"	254.116907	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+DMSO+H"	79.021207
"1012275"	258.156076	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2ACN+H"	83.060376
"1530401"	259.149708	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+IsoProp+Na+H"	84.054008
"999036"	129.581676	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+2ACN+2H"	84.067652
"1589168"	260.064328	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+K+HCOOH"	84.968628
"1414826"	290.095838	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+H+CF3COOH"	115.000138
"1147786"	150.094951	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+3ACN+2H"	125.094202
"1697336"	307.122385	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+NH4+CF3COOH"	132.026685
"1639072"	312.07778	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+Na+CF3COOH"	136.98208
"1572536"	328.05172	"C00327"	"L-Citrulline;2-Amino-5-ureidovaleric acid;Citrulline"	"C6H13N3O3"	"175.0957"	"M+K+CF3COOH"	152.95602
"813837"	208.0848	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M"	0
"988470"	189.06641	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-H2O-H"	-19.01839
"73430"	137.715924	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M-3H"	-3.021828
"514085"	207.077524	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M-3H"	-3.021828
"889701"	68.354324	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-3H"	-3.021828
"9370"	207.077524	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M-2H"	-2.014552
"448928"	311.119924	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M-2H"	-2.014552
"821263"	103.035124	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-2H"	-2.014552
"79551"	415.162324	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M-H"	-1.007276
"521907"	623.247124	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M-H"	-1.007276
"902992"	207.077524	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-H"	-1.007276
"56274"	432.188871	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M-2H+NH4"	16.019271
"492552"	640.273671	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M-2H+NH4"	16.019271
"875824"	224.104071	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-2H+NH4"	16.019271
"44096"	437.144266	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M-2H+Na"	20.974666
"481105"	645.229066	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M-2H+Na"	20.974666
"853437"	229.059466	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-2H+Na"	20.974666
"1621876"	229.059466	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Na-2H"	20.974666
"100591"	225.065863	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M-H+Cl"	33.962126
"548173"	329.108263	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M-H+Cl"	33.962126
"936948"	121.023463	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-H+Cl"	33.962126
"278789"	451.139002	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+Cl"	34.969402
"673397"	659.223802	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+Cl"	34.969402
"1281425"	243.054202	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Cl"	34.969402
"26171"	453.118206	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M-2H+K"	36.948606
"464638"	661.203006	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M-2H+K"	36.948606
"846816"	245.033406	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-2H+K"	36.948606
"1565930"	245.033406	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+K-2H"	36.948606
"950532"	253.082994	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-H+HCOOH"	44.998194
"369841"	461.167801	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+HCOOH-H"	44.998201
"351536"	475.183451	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+Hac-H"	59.013851
"1502557"	267.098651	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Hac-H"	59.013851
"967911"	275.064951	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-H+NaCOOH"	66.980151
"120099"	243.054202	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+2Cl"	69.938804
"559659"	347.096602	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+2Cl"	69.938804
"1031739"	139.011802	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2Cl"	69.938804
"1250225"	287.003685	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Br"	78.918885
"1310487"	289.059672	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Cl+HCOOH"	80.974872
"1326892"	311.041629	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Cl+NaCOOH"	102.956829
"919045"	321.070386	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M-H+CF3COOH"	112.985586
"1299034"	357.047064	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Cl+CF3COOH"	148.962264
"1377195"	173.072124	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H-2H2O"	-35.012676
"1392506"	191.0821	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H-H2O"	-17.0027
"288910"	417.176876	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+H"	1.007276
"680236"	625.261676	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+H"	1.007276
"1353669"	209.092076	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H"	1.007276
"127652"	209.092076	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+2H"	2.014552
"572322"	313.134476	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+2H"	2.014552
"1040030"	105.049676	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2H"	2.014552
"212305"	139.730476	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+3H"	3.021828
"646404"	209.092076	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+3H"	3.021828
"1168901"	70.368876	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+3H"	3.021828
"431078"	434.203423	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+NH4"	18.033823
"793168"	642.288223	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+NH4"	18.033823
"1689500"	226.118623	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+NH4"	18.033823
"336684"	217.6053495	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+H+NH4"	19.041099
"726920"	321.6477495	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+H+NH4"	19.041099
"1481835"	113.5629495	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H+NH4"	19.041099
"395772"	439.158818	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+Na"	22.989218
"758228"	647.243618	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+Na"	22.989218
"1605233"	231.074018	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Na"	22.989218
"317458"	220.083047	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+H+Na"	23.996494
"713162"	324.125447	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+H+Na"	23.996494
"1472449"	116.040647	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H+Na"	23.996494
"1063514"	77.69619	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2H+Na"	25.00377
"1269931"	241.118286	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+CH3OH+H"	33.033486
"379754"	455.132758	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+K"	38.963158
"739654"	663.217558	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+K"	38.963158
"1541708"	247.047958	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+K"	38.963158
"301796"	228.070017	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+H+K"	39.970434
"692760"	332.112417	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+H+K"	39.970434
"1449495"	124.027617	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H+K"	39.970434
"238463"	458.203426	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+ACN+H"	42.033826
"1214816"	250.118626	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+ACN+H"	42.033826
"1200886"	125.562951	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+ACN+2H"	43.041102
"189747"	461.14076	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+2Na-H"	44.97116
"632588"	669.22556	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+2Na-H"	44.97116
"1132449"	253.05596	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2Na-H"	44.97116
"176103"	231.074018	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+2Na"	45.978436
"613842"	335.116418	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+2Na"	45.978436
"1118079"	127.031618	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2Na"	45.978436
"1399537"	85.023504	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H+2Na"	46.985712
"1430440"	255.097546	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H+HCOOH"	47.012746
"223058"	236.10704	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+3H2O+2H"	56.04448
"1521335"	269.14959	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+IsoProp+H"	61.06479
"420656"	239.060988	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+Na+K"	61.952376
"777276"	343.103388	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+Na+K"	61.952376
"1672513"	135.018588	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Na+K"	61.952376
"255753"	480.185368	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+ACN+Na"	64.015768
"1228460"	272.100568	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+ACN+Na"	64.015768
"1719167"	272.124093	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+NH4+HCOOH"	64.039293
"1188171"	92.350818	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+3Na"	68.967654
"1656971"	277.079488	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Na+HCOOH"	68.994688
"162738"	493.08864	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+2K-H"	76.91904
"601205"	701.17344	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+2K-H"	76.91904
"1088999"	285.00384	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2K-H"	76.91904
"149094"	247.047958	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"2M+2K"	77.926316
"588656"	351.090358	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"3M+2K"	77.926316
"1078634"	143.005558	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2K"	77.926316
"1110751"	287.018392	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2K+H"	78.933592
"1343855"	287.106007	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+DMSO+H"	79.021207
"1015664"	291.145176	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2ACN+H"	83.060376
"1533792"	292.138808	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+IsoProp+Na+H"	84.054008
"998051"	146.076226	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+2ACN+2H"	84.067652
"1590369"	293.053428	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+K+HCOOH"	84.968628
"1416028"	323.084938	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+H+CF3COOH"	115.000138
"1148508"	166.589501	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+3ACN+2H"	125.094202
"1697691"	340.111485	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+NH4+CF3COOH"	132.026685
"1643556"	345.06688	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+Na+CF3COOH"	136.98208
"1575926"	361.04082	"C00328"	"L-Kynurenine;3-Anthraniloyl-L-alanine"	"C10H12N2O3"	"208.0848"	"M+K+CF3COOH"	152.95602
"813947"	179.0794	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M"	0
"989187"	160.06101	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"74633"	118.378990666667	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"516383"	178.072124	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"891998"	58.6858573333333	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"8386"	178.072124	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"449038"	267.611824	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"822467"	88.532424	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"81363"	357.151524	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"523111"	536.230924	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"903101"	178.072124	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"52009"	374.178071	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"492662"	553.257471	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"875934"	195.098671	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"43840"	379.133466	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"481214"	558.212866	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"850267"	200.054066	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1621986"	200.054066	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"98514"	196.060463	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"546825"	285.600163	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"937058"	106.520763	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"279630"	393.128202	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"671686"	572.207602	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1281535"	214.048802	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"28467"	395.107406	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"465839"	574.186806	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"843642"	216.028006	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1564943"	216.028006	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"954649"	224.077594	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"372133"	403.157001	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"354924"	417.172651	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1501574"	238.093251	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"965105"	246.059551	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"122397"	214.048802	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"558676"	303.588502	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1027840"	124.509102	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1250337"	257.998285	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1310961"	260.054272	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1324816"	282.036229	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"918062"	292.064986	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1296959"	328.041664	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1373296"	144.066724	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1391521"	162.0767	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"284764"	359.166076	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"677426"	538.245476	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1352558"	180.086676	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"128121"	180.086676	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"567084"	269.626376	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1037704"	90.546976	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"213508"	120.393542666667	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"651980"	180.086676	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1169012"	60.7004093333333	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"432282"	376.192623	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"795463"	555.272023	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1690703"	197.113223	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"336793"	188.5999495	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"727028"	278.1396495	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1483040"	99.0602495	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"393573"	381.148018	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"758338"	560.227418	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1605343"	202.068618	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"314527"	191.077647	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"711085"	280.617347	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1469279"	101.537947	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1061438"	68.0277233333333	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1269676"	212.112886	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"379864"	397.121958	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"742677"	576.201358	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1542544"	218.042558	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"300448"	199.064617	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"692870"	288.604317	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1448147"	109.524917	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"238206"	400.192626	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1217116"	221.113226	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1199537"	111.060251	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"192043"	403.12996	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"631239"	582.20936	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1133650"	224.05056	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"177669"	202.068618	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"616137"	291.608318	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1117819"	112.528918	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1401708"	75.3550373333333	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1432007"	226.092146	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"222439"	207.10164	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1511236"	240.14419	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"414202"	210.055588	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"770822"	299.595288	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1667154"	120.515888	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"253677"	422.174568	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1228570"	243.095168	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1715631"	243.118693	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1181352"	82.6823513333333	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1654164"	248.074088	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"160296"	435.07784	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"600223"	614.15724	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1088016"	255.99844	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"147018"	218.042558	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"587673"	307.582258	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1076559"	128.502858	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1110861"	258.012992	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1347246"	258.100607	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1013589"	262.139776	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1533901"	263.133408	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"995974"	131.573526	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1590478"	264.048028	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1416502"	294.079538	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1148618"	152.086801	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1698165"	311.106085	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1643666"	316.06148	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1576036"	332.03542	"C00329"	"D-Glucosamine;Chitosamine;2-Amino-2-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"814057"	267.0968	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M"	0
"989711"	248.07841	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-H2O-H"	-19.01839
"74014"	177.057257333333	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M-3H"	-3.021828
"516492"	266.089524	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M-3H"	-3.021828
"895308"	88.0249906666667	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-3H"	-3.021828
"13964"	266.089524	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M-2H"	-2.014552
"455105"	399.637924	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M-2H"	-2.014552
"831325"	132.541124	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-2H"	-2.014552
"85847"	533.186324	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M-H"	-1.007276
"529781"	800.283124	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M-H"	-1.007276
"909771"	266.089524	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-H"	-1.007276
"55399"	550.212871	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M-2H+NH4"	16.019271
"497145"	817.309671	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M-2H+NH4"	16.019271
"877137"	283.116071	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-2H+NH4"	16.019271
"44680"	555.168266	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M-2H+Na"	20.974666
"481324"	822.265066	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M-2H+Na"	20.974666
"853657"	288.071466	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-2H+Na"	20.974666
"1622096"	288.071466	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Na-2H"	20.974666
"107007"	284.077863	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M-H+Cl"	33.962126
"542559"	417.626263	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M-H+Cl"	33.962126
"938261"	150.529463	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-H+Cl"	33.962126
"280469"	569.163002	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+Cl"	34.969402
"672525"	836.259802	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+Cl"	34.969402
"1285653"	302.066202	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Cl"	34.969402
"26391"	571.142206	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M-2H+K"	36.948606
"465949"	838.239006	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M-2H+K"	36.948606
"843751"	304.045406	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-2H+K"	36.948606
"1567242"	304.045406	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+K-2H"	36.948606
"954031"	312.094994	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-H+HCOOH"	44.998194
"371150"	579.191801	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+HCOOH-H"	44.998201
"357220"	593.207451	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+Hac-H"	59.013851
"1502777"	326.110651	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Hac-H"	59.013851
"967039"	334.076951	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-H+NaCOOH"	66.980151
"121415"	302.066202	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+2Cl"	69.938804
"558786"	435.614602	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+2Cl"	69.938804
"1027950"	168.517802	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2Cl"	69.938804
"1249354"	346.015685	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Br"	78.918885
"1309978"	348.071672	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Cl+HCOOH"	80.974872
"1324560"	370.053629	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Cl+NaCOOH"	102.956829
"917079"	380.082386	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M-H+CF3COOH"	112.985586
"1297067"	416.059064	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Cl+CF3COOH"	148.962264
"1375229"	232.084124	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H-2H2O"	-35.012676
"1387258"	250.0941	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H-H2O"	-17.0027
"284510"	535.200876	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+H"	1.007276
"677903"	802.297676	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+H"	1.007276
"1353884"	268.104076	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H"	1.007276
"127502"	268.104076	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+2H"	2.014552
"567194"	401.652476	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+2H"	2.014552
"1041340"	134.555676	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2H"	2.014552
"213618"	179.071809333333	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+3H"	3.021828
"656464"	268.104076	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+3H"	3.021828
"1175683"	90.0395426666667	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+3H"	3.021828
"438591"	552.227423	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+NH4"	18.033823
"797399"	819.324223	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+NH4"	18.033823
"1696862"	285.130623	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+NH4"	18.033823
"337999"	276.6173495	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+H+NH4"	19.041099
"733699"	410.1657495	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+H+NH4"	19.041099
"1487524"	143.0689495	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H+NH4"	19.041099
"402918"	557.182818	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+Na"	22.989218
"763914"	824.279618	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+Na"	22.989218
"1609827"	290.086018	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Na"	22.989218
"319867"	279.095047	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+H+Na"	23.996494
"719943"	412.643447	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+H+Na"	23.996494
"1476519"	145.546647	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H+Na"	23.996494
"1067016"	97.3668566666666	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2H+Na"	25.00377
"1269786"	300.130286	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+CH3OH+H"	33.033486
"382891"	573.156758	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+K"	38.963158
"741697"	840.253558	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+K"	38.963158
"1543750"	306.059958	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+K"	38.963158
"305301"	287.082017	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+H+K"	39.970434
"695898"	420.630417	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+H+K"	39.970434
"1453729"	153.533617	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H+K"	39.970434
"245611"	576.227426	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+ACN+H"	42.033826
"1221599"	309.130626	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+ACN+H"	42.033826
"1203294"	155.068951	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+ACN+2H"	43.041102
"191789"	579.16476	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+2Na-H"	44.97116
"630622"	846.26156	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+2Na-H"	44.97116
"1132427"	312.06796	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2Na-H"	44.97116
"173529"	290.086018	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+2Na"	45.978436
"614305"	423.634418	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+2Na"	45.978436
"1118055"	156.537618	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2Na"	45.978436
"1399754"	104.694170666667	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H+2Na"	46.985712
"1431391"	314.109546	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H+HCOOH"	47.012746
"222185"	295.11904	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+3H2O+2H"	56.04448
"1511346"	328.16159	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+IsoProp+H"	61.06479
"414312"	298.072988	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+Na+K"	61.952376
"773121"	431.621388	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+Na+K"	61.952376
"1668359"	164.524588	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Na+K"	61.952376
"253787"	598.209368	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+ACN+Na"	64.015768
"1227587"	331.112568	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+ACN+Na"	64.015768
"1712737"	331.136093	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+NH4+HCOOH"	64.039293
"1180368"	112.021484666667	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+3Na"	68.967654
"1653910"	336.091488	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Na+HCOOH"	68.994688
"161135"	611.11264	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+2K-H"	76.91904
"602520"	878.20944	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+2K-H"	76.91904
"1089219"	344.01584	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2K-H"	76.91904
"148221"	306.059958	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"2M+2K"	77.926316
"587783"	439.608358	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"3M+2K"	77.926316
"1076668"	172.511558	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2K"	77.926316
"1110971"	346.030392	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2K+H"	78.933592
"1342981"	346.118007	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+DMSO+H"	79.021207
"1013699"	350.157176	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2ACN+H"	83.060376
"1532918"	351.150808	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+IsoProp+Na+H"	84.054008
"999365"	175.582226	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+2ACN+2H"	84.067652
"1592777"	352.065428	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+K+HCOOH"	84.968628
"1416251"	382.096938	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+H+CF3COOH"	115.000138
"1149092"	196.095501	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+3ACN+2H"	125.094202
"1698276"	399.123485	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+NH4+CF3COOH"	132.026685
"1643776"	404.07888	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+Na+CF3COOH"	136.98208
"1575053"	420.05282	"C00330"	"Deoxyguanosine;2-Deoxyguanosine"	"C10H13N5O4"	"267.0968"	"M+K+CF3COOH"	152.95602
"814167"	203.0582	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M"	0
"988068"	184.03981	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-H2O-H"	-19.01839
"68292"	134.364857333333	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M-3H"	-3.021828
"513320"	202.050924	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M-3H"	-3.021828
"892217"	66.6787906666667	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-3H"	-3.021828
"5324"	202.050924	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M-2H"	-2.014552
"449258"	303.580024	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M-2H"	-2.014552
"825968"	100.521824	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-2H"	-2.014552
"81584"	405.109124	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M-H"	-1.007276
"528801"	608.167324	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M-H"	-1.007276
"908062"	202.050924	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-H"	-1.007276
"59885"	422.135671	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M-2H+NH4"	16.019271
"499446"	625.193871	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M-2H+NH4"	16.019271
"872874"	219.077471	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-2H+NH4"	16.019271
"44425"	427.091066	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M-2H+Na"	20.974666
"480341"	630.149266	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M-2H+Na"	20.974666
"850487"	224.032866	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-2H+Na"	20.974666
"1625488"	224.032866	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Na-2H"	20.974666
"99828"	220.039263	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M-H+Cl"	33.962126
"545952"	321.568363	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M-H+Cl"	33.962126
"938371"	118.510163	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-H+Cl"	33.962126
"279484"	441.085802	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+Cl"	34.969402
"671542"	644.144002	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+Cl"	34.969402
"1285400"	238.027602	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Cl"	34.969402
"28321"	443.065006	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M-2H+K"	36.948606
"464965"	646.123206	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M-2H+K"	36.948606
"844954"	240.006806	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-2H+K"	36.948606
"1569540"	240.006806	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+K-2H"	36.948606
"955236"	248.056394	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-H+HCOOH"	44.998194
"373448"	451.114601	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+HCOOH-H"	44.998201
"357333"	465.130251	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+Hac-H"	59.013851
"1502889"	262.072051	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Hac-H"	59.013851
"966056"	270.038351	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-H+NaCOOH"	66.980151
"116422"	238.027602	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+2Cl"	69.938804
"557804"	339.556702	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+2Cl"	69.938804
"1026602"	136.498502	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2Cl"	69.938804
"1247279"	281.977085	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Br"	78.918885
"1311913"	284.033072	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Cl+HCOOH"	80.974872
"1324306"	306.015029	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Cl+NaCOOH"	102.956829
"917189"	316.043786	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M-H+CF3COOH"	112.985586
"1293896"	352.020464	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Cl+CF3COOH"	148.962264
"1378619"	168.045524	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H-2H2O"	-35.012676
"1386638"	186.0555	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H-H2O"	-17.0027
"289239"	407.123676	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+H"	1.007276
"676921"	610.181876	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+H"	1.007276
"1352538"	204.065476	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H"	1.007276
"126154"	204.065476	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+2H"	2.014552
"566815"	305.594576	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+2H"	2.014552
"1037802"	102.536376	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2H"	2.014552
"213727"	136.379409333333	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+3H"	3.021828
"658396"	204.065476	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+3H"	3.021828
"1173605"	68.6933426666667	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+3H"	3.021828
"439554"	424.150223	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+NH4"	18.033823
"798966"	627.208423	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+NH4"	18.033823
"1696274"	221.092023	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+NH4"	18.033823
"338109"	212.5787495	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+H+NH4"	19.041099
"734902"	314.1078495	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+H+NH4"	19.041099
"1487634"	111.0496495	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H+NH4"	19.041099
"403029"	429.105618	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+Na"	22.989218
"762932"	632.163818	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+Na"	22.989218
"1608847"	226.047418	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Na"	22.989218
"321070"	215.056447	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+H+Na"	23.996494
"720053"	316.585547	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+H+Na"	23.996494
"1476061"	113.527347	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H+Na"	23.996494
"1067125"	76.0206566666667	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2H+Na"	25.00377
"1271356"	236.091686	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+CH3OH+H"	33.033486
"384093"	445.079558	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+K"	38.963158
"742900"	648.137758	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+K"	38.963158
"1548234"	242.021358	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+K"	38.963158
"305411"	223.043417	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+H+K"	39.970434
"694185"	324.572517	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+H+K"	39.970434
"1453840"	121.514317	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H+K"	39.970434
"243536"	448.150226	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+ACN+H"	42.033826
"1219523"	245.092026	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+ACN+H"	42.033826
"1197572"	123.049651	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+ACN+2H"	43.041102
"190809"	451.08756	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+2Na-H"	44.97116
"630853"	654.14576	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+2Na-H"	44.97116
"1133021"	248.02936	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2Na-H"	44.97116
"173396"	226.047418	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+2Na"	45.978436
"614659"	327.576518	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+2Na"	45.978436
"1116826"	124.518318	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2Na"	45.978436
"1400834"	83.3479706666667	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H+2Na"	46.985712
"1429955"	250.070946	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H+HCOOH"	47.012746
"221198"	231.08044	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+3H2O+2H"	56.04448
"1513643"	264.12299	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+IsoProp+H"	61.06479
"410412"	234.034388	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+Na+K"	61.952376
"771038"	335.563488	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+Na+K"	61.952376
"1666516"	132.505288	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Na+K"	61.952376
"252308"	470.132168	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+ACN+Na"	64.015768
"1226601"	267.073968	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+ACN+Na"	64.015768
"1713051"	267.097493	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+NH4+HCOOH"	64.039293
"1179502"	90.6752846666667	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+3Na"	68.967654
"1654020"	272.052888	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Na+HCOOH"	68.994688
"161245"	483.03544	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+2K-H"	76.91904
"598618"	686.09364	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+2K-H"	76.91904
"1088236"	279.97724	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2K-H"	76.91904
"145053"	242.021358	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"2M+2K"	77.926316
"586800"	343.550458	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"3M+2K"	77.926316
"1076779"	140.492258	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2K"	77.926316
"1111082"	281.991792	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2K+H"	78.933592
"1345278"	282.079407	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+DMSO+H"	79.021207
"1015995"	286.118576	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2ACN+H"	83.060376
"1531934"	287.112208	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+IsoProp+Na+H"	84.054008
"996197"	143.562926	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+2ACN+2H"	84.067652
"1595073"	288.026828	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+K+HCOOH"	84.968628
"1420735"	318.058338	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+H+CF3COOH"	115.000138
"1148839"	164.076201	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+3ACN+2H"	125.094202
"1698386"	335.084885	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+NH4+CF3COOH"	132.026685
"1643886"	340.04028	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+Na+CF3COOH"	136.98208
"1572247"	356.01422	"C00331"	"Indolepyruvate;Indolepyruvic acid;(Indol-3-yl)pyruvate;Indole-3-pyruvate;3-(Indol-3-yl)pyruvate"	"C11H9NO3"	"203.0582"	"M+K+CF3COOH"	152.95602
"815370"	851.1363	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M"	0
"987449"	832.11791	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-H2O-H"	-19.01839
"68402"	566.416924	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M-3H"	-3.021828
"512337"	850.129024	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M-3H"	-3.021828
"890140"	282.704824	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-3H"	-3.021828
"7619"	850.129024	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M-2H"	-2.014552
"444995"	1275.697174	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M-2H"	-2.014552
"822796"	424.560874	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-2H"	-2.014552
"79868"	1701.265324	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M-H"	-1.007276
"525629"	2552.401624	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M-H"	-1.007276
"906712"	850.129024	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-H"	-1.007276
"58538"	1718.291871	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M-2H+NH4"	16.019271
"499191"	2569.428171	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M-2H+NH4"	16.019271
"872984"	867.155571	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-2H+NH4"	16.019271
"41982"	1723.247266	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M-2H+Na"	20.974666
"481544"	2574.383566	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M-2H+Na"	20.974666
"850597"	872.110966	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-2H+Na"	20.974666
"1624504"	872.110966	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Na-2H"	20.974666
"99938"	868.117363	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M-H+Cl"	33.962126
"546062"	1293.685513	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M-H+Cl"	33.962126
"937389"	442.549213	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-H+Cl"	33.962126
"279961"	1737.242002	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+Cl"	34.969402
"671652"	2588.378302	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+Cl"	34.969402
"1285145"	886.105702	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Cl"	34.969402
"26607"	1739.221206	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M-2H+K"	36.948606
"463982"	2590.357506	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M-2H+K"	36.948606
"842878"	888.084906	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-2H+K"	36.948606
"1569650"	888.084906	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+K-2H"	36.948606
"956074"	896.134494	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-H+HCOOH"	44.998194
"372465"	1747.270801	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+HCOOH-H"	44.998201
"356350"	1761.286451	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+Hac-H"	59.013851
"1505551"	910.150151	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Hac-H"	59.013851
"967259"	918.116451	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-H+NaCOOH"	66.980151
"116533"	886.105702	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+2Cl"	69.938804
"559008"	1311.673852	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+2Cl"	69.938804
"1027077"	460.537552	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2Cl"	69.938804
"1250669"	930.055185	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Br"	78.918885
"1308743"	932.111172	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Cl+HCOOH"	80.974872
"1326240"	954.093129	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Cl+NaCOOH"	102.956829
"917299"	964.121886	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M-H+CF3COOH"	112.985586
"1295099"	1000.098564	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Cl+CF3COOH"	148.962264
"1376542"	816.123624	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H-2H2O"	-35.012676
"1390758"	834.1336	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H-H2O"	-17.0027
"286069"	1703.279876	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+H"	1.007276
"677031"	2554.416176	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+H"	1.007276
"1352648"	852.143576	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H"	1.007276
"126997"	852.143576	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+2H"	2.014552
"565946"	1277.711726	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+2H"	2.014552
"1037620"	426.575426	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2H"	2.014552
"212744"	568.431476	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+3H"	3.021828
"655590"	852.143576	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+3H"	3.021828
"1171529"	284.719376	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+3H"	3.021828
"437354"	1720.306423	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+NH4"	18.033823
"799443"	2571.442723	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+NH4"	18.033823
"1693953"	869.170123	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+NH4"	18.033823
"339312"	860.6568495	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+H+NH4"	19.041099
"730642"	1286.2249995	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+H+NH4"	19.041099
"1487741"	435.0886995	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H+NH4"	19.041099
"404235"	1725.261818	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+Na"	22.989218
"767414"	2576.398118	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+Na"	22.989218
"1613694"	874.125518	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Na"	22.989218
"326282"	863.134547	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+H+Na"	23.996494
"718704"	1288.702697	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+H+Na"	23.996494
"1476051"	437.566397	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H+Na"	23.996494
"1063954"	292.04669	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2H+Na"	25.00377
"1271102"	884.169786	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+CH3OH+H"	33.033486
"380923"	1741.235758	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+K"	38.963158
"743010"	2592.372058	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+K"	38.963158
"1547250"	890.099458	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+K"	38.963158
"303333"	871.121517	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+H+K"	39.970434
"694661"	1296.689667	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+H+K"	39.970434
"1453950"	445.553367	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H+K"	39.970434
"243645"	1744.306426	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+ACN+H"	42.033826
"1219632"	893.170126	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+ACN+H"	42.033826
"1198046"	447.088701	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+ACN+2H"	43.041102
"191283"	1747.24376	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+2Na-H"	44.97116
"631210"	2598.38006	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+2Na-H"	44.97116
"1133988"	896.10746	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2Na-H"	44.97116
"174115"	874.125518	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+2Na"	45.978436
"616837"	1299.693668	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+2Na"	45.978436
"1118155"	448.557368	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2Na"	45.978436
"1400338"	299.374004	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H+2Na"	46.985712
"1429987"	898.149046	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H+HCOOH"	47.012746
"221552"	879.15854	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+3H2O+2H"	56.04448
"1513388"	912.20109	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+IsoProp+H"	61.06479
"411616"	882.112488	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+Na+K"	61.952376
"771151"	1307.680638	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+Na+K"	61.952376
"1666025"	456.544338	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Na+K"	61.952376
"251770"	1766.288368	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+ACN+Na"	64.015768
"1226225"	915.152068	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+ACN+Na"	64.015768
"1713001"	915.175593	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+NH4+HCOOH"	64.039293
"1179980"	306.701318	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+3Na"	68.967654
"1654130"	920.130988	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Na+HCOOH"	68.994688
"160991"	1779.19164	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+2K-H"	76.91904
"600552"	2630.32794	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+2K-H"	76.91904
"1088346"	928.05534	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2K-H"	76.91904
"148441"	890.099458	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"2M+2K"	77.926316
"588003"	1315.667608	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"3M+2K"	77.926316
"1074702"	464.531308	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2K"	77.926316
"1109006"	930.069892	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2K+H"	78.933592
"1343202"	930.157507	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+DMSO+H"	79.021207
"1016107"	934.196676	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2ACN+H"	83.060376
"1534231"	935.190308	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+IsoProp+Na+H"	84.054008
"996307"	467.601976	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+2ACN+2H"	84.067652
"1592995"	936.104928	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+K+HCOOH"	84.968628
"1417565"	966.136438	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+H+CF3COOH"	115.000138
"1155508"	488.115251	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+3ACN+2H"	125.094202
"1701780"	983.162985	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+NH4+CF3COOH"	132.026685
"1643996"	988.11838	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+Na+CF3COOH"	136.98208
"1571993"	1004.09232	"C00332"	"Acetoacetyl-CoA;Acetoacetyl coenzyme A;3-Acetoacetyl-CoA"	"C25H40N7O18P3S"	"851.1363"	"M+K+CF3COOH"	152.95602
"815847"	194.0427	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M"	0
"988289"	175.02431	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"68512"	128.354524	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"512447"	193.035424	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"890250"	63.673624	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"8823"	193.035424	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"450572"	290.056774	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"825093"	96.014074	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"79858"	387.078124	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"527925"	581.120824	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"906825"	193.035424	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"57554"	404.104671	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"498576"	598.147371	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"874553"	210.061971	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"40999"	409.060066	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"476187"	603.102766	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"849613"	215.017366	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1624614"	215.017366	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"97862"	211.023763	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"545809"	308.045113	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"934219"	114.002413	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"276062"	423.054802	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"671034"	617.097502	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1284162"	229.012102	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"26716"	425.034006	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"465186"	619.076706	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"841894"	230.991306	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1568301"	230.991306	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"955820"	239.040894	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"373667"	433.083601	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"356460"	447.099251	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1503836"	253.056551	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"972832"	261.022851	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"123926"	229.012102	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"562392"	326.033452	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1029007"	131.990752	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1250779"	272.961585	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1309946"	275.017572	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1328537"	296.999529	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"918502"	307.028286	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1295209"	343.004964	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1376652"	159.030024	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1391961"	177.04	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"286179"	389.092676	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"677870"	583.135376	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1353851"	195.049976	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"127835"	195.049976	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"566912"	292.071326	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1037409"	98.028626	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"212854"	130.369076	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"655700"	195.049976	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1171638"	65.688176	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"438681"	406.119223	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"797729"	600.161923	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1696008"	212.076523	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"343800"	203.5632495	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"731845"	300.5845995	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1487852"	106.5418995	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"404345"	411.074618	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"766431"	605.117318	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1612345"	217.031918	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"323477"	206.040947	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"716992"	303.062297	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1476950"	109.019597	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1062971"	73.01549	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1271577"	227.076186	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"383219"	427.048558	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"744213"	621.091258	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1549547"	233.005858	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"306722"	214.027917	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"696959"	311.049267	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1451874"	117.006567	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"243755"	430.119226	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1219742"	236.076526	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1199251"	118.541901	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"190301"	433.05656	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"630591"	627.09926	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1136284"	239.01386	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"181761"	217.031918	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"618041"	314.053268	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1120452"	120.010568	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1406163"	80.342804	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1430869"	241.055446	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"220322"	222.06494	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1512405"	255.10749	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"410997"	225.018888	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"770533"	322.040238	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1667228"	127.997538	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"251638"	452.101168	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1226213"	258.058468	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1714250"	258.081993	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1184344"	87.670118	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1656427"	263.037388	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"163288"	465.00444	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"605036"	659.04714	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1095016"	270.96174	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"148552"	233.005858	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"592487"	330.027208	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1076999"	135.984508	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1112396"	272.976292	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1343312"	273.063907	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1017310"	277.103076	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1535436"	278.096708	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"997510"	139.055176	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1597480"	279.011328	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1420955"	309.042838	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1155618"	159.568451	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1702984"	326.069385	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1644106"	331.02478	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1572467"	346.99872	"C00333"	"D-Galacturonate;D-Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"816996"	103.0633	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M"	0
"988763"	84.04491	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"68622"	67.7015906666667	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"512557"	102.056024	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"890360"	33.3471573333333	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"8933"	102.056024	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"451775"	153.587674	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"826296"	50.524374	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"84100"	205.119324	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"528035"	308.182624	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"908027"	102.056024	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"59123"	222.145871	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"500140"	325.209171	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"875391"	119.082571	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"38921"	227.101266	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"476295"	330.164566	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"853002"	124.037966	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1621436"	124.037966	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"96874"	120.044363	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"537530"	171.576013	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"929954"	68.512713	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"277264"	241.096002	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"668591"	344.159302	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1282084"	138.032702	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"22451"	243.075206	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"460922"	346.138506	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"842004"	140.011906	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1569140"	140.011906	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"956659"	148.061494	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"372685"	251.124801	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"358756"	265.140451	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1505400"	162.077151	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"970756"	170.043451	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"119662"	138.032702	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"557035"	189.564352	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1028387"	86.501052	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1246506"	181.982185	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1312242"	184.038172	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1327553"	206.020129	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"920798"	216.048886	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1295319"	252.025564	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1376762"	68.050624	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1392071"	86.0606	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"288476"	207.133876	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"677247"	310.197176	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1352867"	104.070576	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"126484"	104.070576	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"566164"	155.602226	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1037153"	52.538926	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"204574"	69.7161426666667	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"651430"	104.070576	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1173934"	35.3617093333333	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"439032"	224.160423	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"798203"	327.223723	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1695626"	121.097123	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"344275"	112.5838495	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"734140"	164.1154995	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1489055"	61.0521995	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"405548"	229.115818	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"766541"	332.179118	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1614641"	126.052518	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"325773"	115.061547	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"718560"	166.593197	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1475300"	63.529897	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1063081"	42.6890233333333	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1271688"	136.096786	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"384423"	245.089758	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"744323"	348.153058	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1549656"	142.026458	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"309019"	123.048517	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"699255"	174.580167	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1455262"	71.516867	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"243865"	248.160426	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1223132"	145.097126	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1203735"	73.052201	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"193326"	251.09776	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"629849"	354.16106	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1136394"	148.03446	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"181871"	126.052518	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"615964"	177.584168	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1122749"	74.520868	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1406273"	50.0163373333333	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1435110"	150.076046	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"222624"	131.08554	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1512151"	164.12809	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"410743"	134.039488	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"772465"	185.571138	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1667703"	82.507838	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"251462"	270.142368	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1226566"	167.079068	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1716911"	167.102593	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1185547"	57.3436513333333	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1657628"	172.057988	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"168863"	283.04564	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"608425"	386.10894	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1092938"	179.98234	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"150848"	142.026458	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"590410"	193.558108	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1081483"	90.494808	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1111413"	181.996892	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1346703"	182.084507	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1018513"	186.123676	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1539071"	187.117308	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"999807"	93.565476	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1597590"	188.031928	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1424345"	218.063438	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1155728"	114.078751	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1699814"	235.089985	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1644216"	240.04538	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1572213"	256.01932	"C00334"	"4-Aminobutanoate;4-Aminobutanoic acid;4-Aminobutyrate;4-Aminobutyric acid;gamma-Aminobutyric acid;GABA"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"816641"	158.0328	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M"	0
"984861"	139.01441	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-H2O-H"	-19.01839
"65447"	104.347924	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M-3H"	-3.021828
"509381"	157.025524	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M-3H"	-3.021828
"893625"	51.670324	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-3H"	-3.021828
"5762"	157.025524	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M-2H"	-2.014552
"450789"	236.041924	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M-2H"	-2.014552
"829686"	78.009124	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-2H"	-2.014552
"88582"	315.058324	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M-H"	-1.007276
"530330"	473.091124	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M-H"	-1.007276
"899383"	157.025524	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-H"	-1.007276
"49749"	332.084871	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M-2H+NH4"	16.019271
"490403"	490.117671	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M-2H+NH4"	16.019271
"877692"	174.052071	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-2H+NH4"	16.019271
"43398"	337.040266	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M-2H+Na"	20.974666
"479679"	495.073066	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M-2H+Na"	20.974666
"860761"	179.007466	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-2H+Na"	20.974666
"1628108"	179.007466	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Na-2H"	20.974666
"104636"	175.013863	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M-H+Cl"	33.962126
"542012"	254.030263	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M-H+Cl"	33.962126
"931153"	95.997463	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-H+Cl"	33.962126
"268981"	351.035002	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+Cl"	34.969402
"662860"	509.067802	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+Cl"	34.969402
"1275629"	193.002202	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Cl"	34.969402
"18185"	353.014206	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M-2H+K"	36.948606
"459931"	511.047006	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M-2H+K"	36.948606
"836275"	194.981406	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-2H+K"	36.948606
"1560132"	194.981406	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+K-2H"	36.948606
"946922"	203.030994	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-H+HCOOH"	44.998194
"366230"	361.063801	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+HCOOH-H"	44.998201
"349382"	375.079451	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+Hac-H"	59.013851
"1496392"	217.046651	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Hac-H"	59.013851
"964300"	225.012951	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-H+NaCOOH"	66.980151
"114663"	193.002202	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+2Cl"	69.938804
"557141"	272.018602	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+2Cl"	69.938804
"1025579"	113.985802	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2Cl"	69.938804
"1246981"	236.951685	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Br"	78.918885
"1308340"	239.007672	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Cl+HCOOH"	80.974872
"1323282"	260.989629	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Cl+NaCOOH"	102.956829
"913980"	271.018386	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M-H+CF3COOH"	112.985586
"1290320"	306.995064	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Cl+CF3COOH"	148.962264
"1369943"	123.020124	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H-2H2O"	-35.012676
"1385254"	141.0301	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H-H2O"	-17.0027
"283230"	317.072876	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+H"	1.007276
"676136"	475.105676	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+H"	1.007276
"1352001"	159.040076	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H"	1.007276
"128413"	159.040076	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+2H"	2.014552
"566633"	238.056476	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+2H"	2.014552
"1037863"	80.023676	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2H"	2.014552
"204684"	106.362476	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+3H"	3.021828
"644972"	159.040076	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+3H"	3.021828
"1164199"	53.684876	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+3H"	3.021828
"430753"	334.099423	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+NH4"	18.033823
"792843"	492.132223	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+NH4"	18.033823
"1691361"	176.066623	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+NH4"	18.033823
"340733"	167.5533495	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+H+NH4"	19.041099
"735344"	246.5697495	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+H+NH4"	19.041099
"1488070"	88.5369495	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H+NH4"	19.041099
"402376"	339.054818	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+Na"	22.989218
"763373"	497.087618	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+Na"	22.989218
"1614749"	181.022018	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Na"	22.989218
"326976"	170.031047	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+H+Na"	23.996494
"720491"	249.047447	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+H+Na"	23.996494
"1474315"	91.014647	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H+Na"	23.996494
"1061003"	61.01219	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2H+Na"	25.00377
"1267056"	191.066286	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+CH3OH+H"	33.033486
"387811"	355.028758	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+K"	38.963158
"751722"	513.061558	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+K"	38.963158
"1545391"	196.995958	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+K"	38.963158
"312410"	178.018017	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+H+K"	39.970434
"703737"	257.034417	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+H+K"	39.970434
"1458651"	99.001617	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H+K"	39.970434
"247252"	358.099426	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+ACN+H"	42.033826
"1221055"	200.066626	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+ACN+H"	42.033826
"1204939"	100.536951	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+ACN+2H"	43.041102
"201088"	361.03676	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+2Na-H"	44.97116
"637369"	519.06956	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+2Na-H"	44.97116
"1135407"	203.00396	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2Na-H"	44.97116
"175780"	181.022018	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+2Na"	45.978436
"620442"	260.038418	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+2Na"	45.978436
"1118479"	102.005618	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2Na"	45.978436
"1400911"	68.339504	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H+2Na"	46.985712
"1430722"	205.045546	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H+HCOOH"	47.012746
"224920"	186.05504	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+3H2O+2H"	56.04448
"1511894"	219.09759	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+IsoProp+H"	61.06479
"412674"	189.008988	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+Na+K"	61.952376
"773669"	268.025388	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+Na+K"	61.952376
"1667811"	109.992588	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Na+K"	61.952376
"252749"	380.081368	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+ACN+Na"	64.015768
"1228134"	222.048568	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+ACN+Na"	64.015768
"1717019"	222.072093	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+NH4+HCOOH"	64.039293
"1182376"	75.666818	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+3Na"	68.967654
"1653360"	227.027488	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Na+HCOOH"	68.994688
"165690"	392.98464	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+2K-H"	76.91904
"606345"	551.01744	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+2K-H"	76.91904
"1088671"	234.95184	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2K-H"	76.91904
"150954"	196.995958	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"2M+2K"	77.926316
"590516"	276.012358	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"3M+2K"	77.926316
"1077217"	117.979558	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2K"	77.926316
"1110425"	236.966392	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2K+H"	78.933592
"1347902"	237.054007	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+DMSO+H"	79.021207
"1013156"	241.093176	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2ACN+H"	83.060376
"1531281"	242.086808	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+IsoProp+Na+H"	84.054008
"1003926"	121.050226	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+2ACN+2H"	84.067652
"1597699"	243.001428	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+K+HCOOH"	84.968628
"1423361"	273.032938	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+H+CF3COOH"	115.000138
"1152556"	141.563501	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+3ACN+2H"	125.094202
"1702108"	290.059485	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+NH4+CF3COOH"	132.026685
"1638859"	295.01488	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+Na+CF3COOH"	136.98208
"1572687"	310.98882	"C00337"	"(S)-Dihydroorotate;(S)-45-Dihydroorotate;L-Dihydroorotate;L-Dihydroorotic acid;Dihydro-L-orotic acid"	"C5H6N2O4"	"158.0328"	"M+K+CF3COOH"	152.95602
"803783"	314.0684	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M"	0
"975857"	295.05001	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H2O-H"	-19.01839
"65560"	208.371657333333	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-3H"	-3.021828
"513869"	313.061124	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-3H"	-3.021828
"890577"	103.682190666667	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-3H"	-3.021828
"11341"	313.061124	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H"	-2.014552
"451994"	470.095324	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H"	-2.014552
"829796"	156.026924	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H"	-2.014552
"90880"	627.129524	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H"	-1.007276
"533117"	941.197924	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H"	-1.007276
"903868"	313.061124	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H"	-1.007276
"56057"	644.156071	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+NH4"	16.019271
"497809"	958.224471	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+NH4"	16.019271
"872330"	330.087671	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+NH4"	16.019271
"41324"	649.111466	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+Na"	20.974666
"483073"	963.179866	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+Na"	20.974666
"862696"	335.043066	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+Na"	20.974666
"1627125"	335.043066	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na-2H"	20.974666
"98189"	331.049463	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H+Cl"	33.962126
"543216"	488.083663	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H+Cl"	33.962126
"933451"	174.015263	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+Cl"	33.962126
"269458"	663.106202	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Cl"	34.969402
"662364"	977.174602	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Cl"	34.969402
"1276102"	349.037802	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl"	34.969402
"19388"	665.085406	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+K"	36.948606
"458218"	979.153806	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+K"	36.948606
"836021"	351.017006	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+K"	36.948606
"1560242"	351.017006	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K-2H"	36.948606
"946299"	359.066594	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+HCOOH"	44.998194
"364148"	673.135001	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+HCOOH-H"	44.998201
"350951"	687.150651	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Hac-H"	59.013851
"1496502"	373.082251	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Hac-H"	59.013851
"963314"	381.048551	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+NaCOOH"	66.980151
"116601"	349.037802	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Cl"	69.938804
"557257"	506.072002	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Cl"	69.938804
"1024231"	192.003602	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Cl"	69.938804
"1250013"	392.987285	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Br"	78.918885
"1308087"	395.043272	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+HCOOH"	80.974872
"1327772"	417.025229	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+NaCOOH"	102.956829
"914819"	427.053986	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+CF3COOH"	112.985586
"1296629"	463.030664	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+CF3COOH"	148.962264
"1370052"	279.055724	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-2H2O"	-35.012676
"1385359"	297.0657	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-H2O"	-17.0027
"284561"	629.144076	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H"	1.007276
"676734"	943.212476	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H"	1.007276
"1351745"	315.075676	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H"	1.007276
"127194"	315.075676	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2H"	2.014552
"566177"	472.109876	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2H"	2.014552
"1037208"	158.041476	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H"	2.014552
"209904"	210.386209333333	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H"	3.021828
"651652"	315.075676	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+3H"	3.021828
"1166496"	105.696742666667	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3H"	3.021828
"430863"	646.170623	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+NH4"	18.033823
"789673"	960.239023	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+NH4"	18.033823
"1695846"	332.102223	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4"	18.033823
"339755"	323.5889495	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+NH4"	19.041099
"732175"	480.6231495	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+NH4"	19.041099
"1484900"	166.5547495	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+NH4"	19.041099
"401392"	651.126018	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na"	22.989218
"762391"	965.194418	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na"	22.989218
"1609393"	337.057618	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na"	22.989218
"321619"	326.066647	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+Na"	23.996494
"717327"	483.100847	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+Na"	23.996494
"1470052"	169.032447	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+Na"	23.996494
"1057830"	113.024056666667	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H+Na"	25.00377
"1259508"	347.101886	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+CH3OH+H"	33.033486
"383549"	667.099958	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+K"	38.963158
"746731"	981.168358	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+K"	38.963158
"1549877"	353.031558	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K"	38.963158
"311427"	334.053617	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+K"	39.970434
"701661"	491.087817	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+K"	39.970434
"1455479"	177.019417	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+K"	39.970434
"244083"	670.170626	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+H"	42.033826
"1216792"	356.102226	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+H"	42.033826
"1202862"	178.554751	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+2H"	43.041102
"193545"	673.10796	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na-H"	44.97116
"630795"	987.17636	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na-H"	44.97116
"1133331"	359.03956	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na-H"	44.97116
"177715"	337.057618	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na"	45.978436
"614116"	494.091818	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na"	45.978436
"1116894"	180.023418	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na"	45.978436
"1401765"	120.351370666667	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+2Na"	46.985712
"1439716"	361.081146	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+HCOOH"	47.012746
"226132"	342.09064	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H2O+2H"	56.04448
"1513100"	375.13319	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+H"	61.06479
"412058"	345.044588	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na+K"	61.952376
"772687"	502.078788	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na+K"	61.952376
"1667191"	188.010388	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+K"	61.952376
"258820"	692.152568	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+Na"	64.015768
"1228247"	378.084168	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+Na"	64.015768
"1721508"	378.107693	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+HCOOH"	64.039293
"1182488"	127.678684666667	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3Na"	68.967654
"1658943"	383.063088	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+HCOOH"	68.994688
"164712"	705.05584	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K-H"	76.91904
"608648"	1019.12424	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K-H"	76.91904
"1093158"	390.98744	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K-H"	76.91904
"151067"	353.031558	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K"	77.926316
"591723"	510.065758	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K"	77.926316
"1078420"	195.997358	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K"	77.926316
"1109444"	393.001992	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K+H"	78.933592
"1347895"	393.089607	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+DMSO+H"	79.021207
"1016546"	397.128776	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+H"	83.060376
"1537953"	398.122408	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+Na+H"	84.054008
"1004645"	199.068026	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+2H"	84.067652
"1593438"	399.037028	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+HCOOH"	84.968628
"1420190"	429.068538	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+CF3COOH"	115.000138
"1148048"	219.581301	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3ACN+2H"	125.094202
"1701129"	446.095085	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+CF3COOH"	132.026685
"1634628"	451.05048	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+CF3COOH"	136.98208
"1578997"	467.02442	"C00341"	"Geranyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+CF3COOH"	152.95602
"803167"	276.0246	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M"	0
"989097"	257.00621	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-H2O-H"	-19.01839
"73327"	183.009124	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M-3H"	-3.021828
"512886"	275.017324	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M-3H"	-3.021828
"889594"	91.000924	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-3H"	-3.021828
"8168"	275.017324	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M-2H"	-2.014552
"451008"	413.029624	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M-2H"	-2.014552
"827716"	137.005024	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-2H"	-2.014552
"84438"	551.041924	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M-H"	-1.007276
"522904"	827.066524	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M-H"	-1.007276
"897425"	275.017324	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-H"	-1.007276
"49613"	568.068471	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M-2H+NH4"	16.019271
"492451"	844.093071	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M-2H+NH4"	16.019271
"872439"	292.043871	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-2H+NH4"	16.019271
"31953"	573.023866	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M-2H+Na"	20.974666
"473703"	849.048466	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M-2H+Na"	20.974666
"849194"	296.999266	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-2H+Na"	20.974666
"1619581"	296.999266	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Na-2H"	20.974666
"94656"	293.005663	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M-H+Cl"	33.962126
"535183"	431.017963	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M-H+Cl"	33.962126
"927969"	154.993363	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-H+Cl"	33.962126
"268105"	587.018602	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+Cl"	34.969402
"660771"	863.043202	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+Cl"	34.969402
"1278035"	310.994002	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Cl"	34.969402
"19498"	588.997806	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M-2H+K"	36.948606
"457114"	865.022406	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M-2H+K"	36.948606
"834306"	312.973206	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-2H+K"	36.948606
"1555617"	312.973206	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+K-2H"	36.948606
"942994"	321.022794	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-H+HCOOH"	44.998194
"365721"	597.047401	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+HCOOH-H"	44.998201
"350701"	611.063051	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+Hac-H"	59.013851
"1502456"	335.038451	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Hac-H"	59.013851
"968903"	343.004751	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-H+NaCOOH"	66.980151
"120731"	310.994002	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+2Cl"	69.938804
"561386"	449.006302	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+2Cl"	69.938804
"1032734"	172.981702	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2Cl"	69.938804
"1247938"	354.943485	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Br"	78.918885
"1310388"	356.999472	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Cl+HCOOH"	80.974872
"1332259"	378.981429	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Cl+NaCOOH"	102.956829
"921130"	389.010186	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M-H+CF3COOH"	112.985586
"1293462"	424.986864	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Cl+CF3COOH"	148.962264
"1369436"	241.011924	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H-2H2O"	-35.012676
"1387300"	259.0219	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H-H2O"	-17.0027
"290997"	553.056476	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+H"	1.007276
"681232"	829.081076	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+H"	1.007276
"1355395"	277.031876	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H"	1.007276
"131569"	277.031876	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+2H"	2.014552
"574409"	415.044176	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+2H"	2.014552
"1047584"	139.019576	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2H"	2.014552
"218038"	185.023676	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+3H"	3.021828
"652859"	277.031876	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+3H"	3.021828
"1175364"	93.015476	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+3H"	3.021828
"437911"	570.083023	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+NH4"	18.033823
"800732"	846.107623	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+NH4"	18.033823
"1695601"	294.058423	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+NH4"	18.033823
"345337"	285.5451495	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+H+NH4"	19.041099
"734476"	423.5574495	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+H+NH4"	19.041099
"1491577"	147.5328495	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H+NH4"	19.041099
"406975"	575.038418	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+Na"	22.989218
"763603"	851.063018	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+Na"	22.989218
"1608418"	299.013818	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Na"	22.989218
"319546"	288.022847	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+H+Na"	23.996494
"711602"	426.035147	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+H+Na"	23.996494
"1465787"	150.010547	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H+Na"	23.996494
"1057939"	100.34279	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2H+Na"	25.00377
"1263990"	309.058086	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+CH3OH+H"	33.033486
"386940"	591.012358	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+K"	38.963158
"749029"	867.036958	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+K"	38.963158
"1548894"	314.987758	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+K"	38.963158
"310442"	296.009817	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+H+K"	39.970434
"700677"	434.022117	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+H+K"	39.970434
"1454498"	157.997517	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H+K"	39.970434
"239819"	594.083026	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+ACN+H"	42.033826
"1212164"	318.058426	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+ACN+H"	42.033826
"1197505"	159.532851	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+ACN+2H"	43.041102
"194748"	597.02036	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+2Na-H"	44.97116
"629206"	873.04496	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+2Na-H"	44.97116
"1133075"	320.99576	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2Na-H"	44.97116
"177841"	299.013818	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+2Na"	45.978436
"616672"	437.026118	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+2Na"	45.978436
"1124189"	161.001518	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2Na"	45.978436
"1408806"	107.670104	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H+2Na"	46.985712
"1435452"	323.037346	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H+HCOOH"	47.012746
"224054"	304.04684	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+3H2O+2H"	56.04448
"1510049"	337.08939	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+IsoProp+H"	61.06479
"418366"	307.000788	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+Na+K"	61.952376
"773896"	445.013088	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+Na+K"	61.952376
"1670227"	168.988488	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Na+K"	61.952376
"256747"	616.064968	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+ACN+Na"	64.015768
"1231644"	340.040368	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+ACN+Na"	64.015768
"1723810"	340.063893	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+NH4+HCOOH"	64.039293
"1185882"	114.997418	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+3Na"	68.967654
"1653587"	345.019288	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Na+HCOOH"	68.994688
"164823"	628.96824	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+2K-H"	76.91904
"599523"	904.99284	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+2K-H"	76.91904
"1088896"	352.94364	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2K-H"	76.91904
"146076"	314.987758	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"2M+2K"	77.926316
"585635"	453.000058	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"3M+2K"	77.926316
"1071241"	176.975458	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2K"	77.926316
"1104453"	354.958192	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2K+H"	78.933592
"1338285"	355.045807	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+DMSO+H"	79.021207
"1012286"	359.084976	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2ACN+H"	83.060376
"1529314"	360.078608	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+IsoProp+Na+H"	84.054008
"996866"	180.046126	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+2ACN+2H"	84.067652
"1587596"	360.993228	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+K+HCOOH"	84.968628
"1419216"	391.024738	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+H+CF3COOH"	115.000138
"1154978"	200.559401	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+3ACN+2H"	125.094202
"1706715"	408.051285	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+NH4+CF3COOH"	132.026685
"1637992"	413.00668	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+Na+CF3COOH"	136.98208
"1572549"	428.98062	"C00345"	"6-Phospho-D-gluconate"	"C6H13O10P"	"276.0246"	"M+K+CF3COOH"	152.95602
"802913"	141.0191	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M"	0
"988355"	122.00071	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-H2O-H"	-19.01839
"72344"	93.0054573333333	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M-3H"	-3.021828
"511903"	140.011824	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M-3H"	-3.021828
"882049"	45.9990906666667	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-3H"	-3.021828
"3174"	140.011824	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M-2H"	-2.014552
"443464"	210.521374	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M-2H"	-2.014552
"827826"	69.502274	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-2H"	-2.014552
"82357"	281.030924	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M-H"	-1.007276
"518878"	422.050024	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M-H"	-1.007276
"895867"	140.011824	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-H"	-1.007276
"48382"	298.057471	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M-2H+NH4"	16.019271
"489641"	439.076571	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M-2H+NH4"	16.019271
"865257"	157.038371	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-2H+NH4"	16.019271
"32059"	303.012866	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M-2H+Na"	20.974666
"472027"	444.031966	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M-2H+Na"	20.974666
"848854"	161.993766	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-2H+Na"	20.974666
"1619686"	161.993766	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Na-2H"	20.974666
"95126"	158.000163	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M-H+Cl"	33.962126
"534728"	228.509713	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M-H+Cl"	33.962126
"927595"	87.490613	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-H+Cl"	33.962126
"267363"	317.007602	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+Cl"	34.969402
"661002"	458.026702	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+Cl"	34.969402
"1274134"	175.988502	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Cl"	34.969402
"17419"	318.986806	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M-2H+K"	36.948606
"456738"	460.005906	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M-2H+K"	36.948606
"832928"	177.967706	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-2H+K"	36.948606
"1555632"	177.967706	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+K-2H"	36.948606
"942799"	186.017294	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-H+HCOOH"	44.998194
"362546"	327.036401	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+HCOOH-H"	44.998201
"346553"	341.052051	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+Hac-H"	59.013851
"1496363"	200.032951	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Hac-H"	59.013851
"961713"	207.999251	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-H+NaCOOH"	66.980151
"113535"	175.988502	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+2Cl"	69.938804
"561495"	246.498052	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+2Cl"	69.938804
"1030657"	105.478952	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2Cl"	69.938804
"1249141"	219.937985	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Br"	78.918885
"1309404"	221.993972	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Cl+HCOOH"	80.974872
"1333098"	243.975929	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Cl+NaCOOH"	102.956829
"919053"	254.004686	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M-H+CF3COOH"	112.985586
"1289564"	289.981364	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Cl+CF3COOH"	148.962264
"1373923"	106.006424	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H-2H2O"	-35.012676
"1384857"	124.0164	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H-H2O"	-17.0027
"288921"	283.045476	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+H"	1.007276
"679154"	424.064576	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+H"	1.007276
"1355505"	142.026376	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H"	1.007276
"132775"	142.026376	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+2H"	2.014552
"575614"	212.535926	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+2H"	2.014552
"1049881"	71.516826	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2H"	2.014552
"219241"	95.0200093333333	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+3H"	3.021828
"655156"	142.026376	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+3H"	3.021828
"1171096"	48.0136426666667	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+3H"	3.021828
"437647"	300.072023	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+NH4"	18.033823
"799745"	441.091123	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+NH4"	18.033823
"1693888"	159.052923	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+NH4"	18.033823
"345673"	150.5396495	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+H+NH4"	19.041099
"736652"	221.0491995	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+H+NH4"	19.041099
"1492297"	80.0300995	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H+NH4"	19.041099
"407085"	305.027418	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+Na"	22.989218
"763712"	446.046518	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+Na"	22.989218
"1605250"	164.008318	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Na"	22.989218
"318564"	153.017347	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+H+Na"	23.996494
"712078"	223.526897	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+H+Na"	23.996494
"1465897"	82.507797	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H+Na"	23.996494
"1056955"	55.3409566666667	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2H+Na"	25.00377
"1265196"	174.052586	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+CH3OH+H"	33.033486
"385956"	321.001358	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+K"	38.963158
"748045"	462.020458	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+K"	38.963158
"1549004"	179.982258	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+K"	38.963158
"309460"	161.004317	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+H+K"	39.970434
"697506"	231.513867	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+H+K"	39.970434
"1450235"	90.494767	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H+K"	39.970434
"237743"	324.072026	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+ACN+H"	42.033826
"1210816"	183.052926	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+ACN+H"	42.033826
"1195429"	92.030101	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+ACN+2H"	43.041102
"190486"	327.00936	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+2Na-H"	44.97116
"629679"	468.02846	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+2Na-H"	44.97116
"1133183"	185.99026	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2Na-H"	44.97116
"176489"	164.008318	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+2Na"	45.978436
"620793"	234.517868	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+2Na"	45.978436
"1122113"	93.498768	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2Na"	45.978436
"1404543"	62.6682706666667	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H+2Na"	46.985712
"1441030"	188.031846	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H+HCOOH"	47.012746
"225258"	169.04134	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+3H2O+2H"	56.04448
"1513684"	202.08389	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+IsoProp+H"	61.06479
"419569"	171.995288	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+Na+K"	61.952376
"780201"	242.504838	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+Na+K"	61.952376
"1673618"	101.485738	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Na+K"	61.952376
"259043"	346.053968	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+ACN+Na"	64.015768
"1232847"	205.034868	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+ACN+Na"	64.015768
"1723920"	205.058393	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+NH4+HCOOH"	64.039293
"1182712"	69.9955846666667	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+3Na"	68.967654
"1651752"	210.013788	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Na+HCOOH"	68.994688
"164933"	358.95724	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+2K-H"	76.91904
"600119"	499.97634	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+2K-H"	76.91904
"1089370"	217.93814	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2K-H"	76.91904
"143999"	179.982258	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"2M+2K"	77.926316
"582586"	250.491808	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"3M+2K"	77.926316
"1071351"	109.472708	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2K"	77.926316
"1104926"	219.952692	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2K+H"	78.933592
"1338394"	220.040307	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+DMSO+H"	79.021207
"1011303"	224.079476	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2ACN+H"	83.060376
"1528331"	225.073108	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+IsoProp+Na+H"	84.054008
"999163"	112.543376	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+2ACN+2H"	84.067652
"1589290"	225.987728	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+K+HCOOH"	84.968628
"1418233"	256.019238	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+H+CF3COOH"	115.000138
"1157276"	133.056651	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+3ACN+2H"	125.094202
"1709013"	273.045785	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+NH4+CF3COOH"	132.026685
"1638102"	278.00118	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+Na+CF3COOH"	136.98208
"1572659"	293.97512	"C00346"	"Ethanolamine phosphate;O-Phosphorylethanolamine;Phosphoethanolamine;O-Phosphoethanolamine"	"C2H8NO4P"	"141.0191"	"M+K+CF3COOH"	152.95602
"815054"	846.6655	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M"	0
"983118"	827.64711	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H2O-H"	-19.01839
"68080"	563.436390666667	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-3H"	-3.021828
"506547"	845.658224	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-3H"	-3.021828
"883255"	281.214557333333	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-3H"	-3.021828
"2921"	845.658224	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H"	-2.014552
"442116"	1268.990974	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H"	-2.014552
"820289"	422.325474	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H"	-2.014552
"78823"	1692.323724	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-H"	-1.007276
"518579"	2538.989224	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-H"	-1.007276
"895651"	845.658224	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H"	-1.007276
"47180"	1709.350271	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+NH4"	16.019271
"487394"	2556.015771	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+NH4"	16.019271
"864429"	862.684771	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+NH4"	16.019271
"31609"	1714.305666	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+Na"	20.974666
"471606"	2560.971166	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+Na"	20.974666
"848596"	867.640166	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+Na"	20.974666
"1618797"	867.640166	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na-2H"	20.974666
"94381"	863.646563	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-H+Cl"	33.962126
"534470"	1286.979313	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-H+Cl"	33.962126
"927092"	440.313813	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+Cl"	33.962126
"267129"	1728.300402	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Cl"	34.969402
"660134"	2574.965902	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Cl"	34.969402
"1273109"	881.634902	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl"	34.969402
"15744"	1730.279606	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+K"	36.948606
"455827"	2576.945106	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+K"	36.948606
"832864"	883.614106	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+K"	36.948606
"1557166"	883.614106	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K-2H"	36.948606
"943185"	891.663694	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+HCOOH"	44.998194
"366672"	1738.329201	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+HCOOH-H"	44.998201
"351287"	1752.344851	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Hac-H"	59.013851
"1495741"	905.679351	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Hac-H"	59.013851
"961460"	913.645651	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+NaCOOH"	66.980151
"119133"	881.634902	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Cl"	69.938804
"560876"	1304.967652	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Cl"	69.938804
"1029674"	458.302152	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Cl"	69.938804
"1250349"	925.584385	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Br"	78.918885
"1311704"	927.640372	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+HCOOH"	80.974872
"1324825"	949.622329	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+NaCOOH"	102.956829
"912964"	959.651086	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+CF3COOH"	112.985586
"1292225"	995.627764	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+CF3COOH"	148.962264
"1368200"	811.652824	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H-2H2O"	-35.012676
"1389346"	829.6628	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H-H2O"	-17.0027
"286478"	1694.338276	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H"	1.007276
"681456"	2541.003776	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H"	1.007276
"1353436"	847.672776	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H"	1.007276
"130697"	847.672776	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2H"	2.014552
"572445"	1271.005526	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2H"	2.014552
"1045618"	424.340026	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2H"	2.014552
"214615"	565.450942666667	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+3H"	3.021828
"656365"	847.672776	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+3H"	3.021828
"1171207"	283.229109333333	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3H"	3.021828
"436673"	1711.364823	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+NH4"	18.033823
"795480"	2558.030323	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+NH4"	18.033823
"1692905"	864.699323	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4"	18.033823
"337902"	856.1860495	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+NH4"	19.041099
"732514"	1279.5187995	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+NH4"	19.041099
"1486330"	432.8532995	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+NH4"	19.041099
"401733"	1716.320218	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Na"	22.989218
"756527"	2562.985718	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Na"	22.989218
"1605356"	869.654718	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na"	22.989218
"316487"	858.663747	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+Na"	23.996494
"708542"	1281.996497	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+Na"	23.996494
"1464186"	435.330997	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+Na"	23.996494
"1053414"	290.556423333333	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2H+Na"	25.00377
"1260200"	879.698986	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+CH3OH+H"	33.033486
"386067"	1732.294158	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+K"	38.963158
"743782"	2578.959658	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+K"	38.963158
"1544739"	885.628658	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K"	38.963158
"303011"	866.650717	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+K"	39.970434
"691827"	1289.983467	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+K"	39.970434
"1446090"	443.317967	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+K"	39.970434
"236272"	1735.364826	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+ACN+H"	42.033826
"1210196"	888.699326	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+H"	42.033826
"1195172"	444.853301	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+2H"	43.041102
"189500"	1738.30216	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Na-H"	44.97116
"630151"	2584.96766	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Na-H"	44.97116
"1134042"	891.63666	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Na-H"	44.97116
"179156"	869.654718	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Na"	45.978436
"618718"	1292.987468	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Na"	45.978436
"1117483"	446.321968	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Na"	45.978436
"1402464"	297.883737333333	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+2Na"	46.985712
"1436767"	893.678246	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+HCOOH"	47.012746
"224275"	874.68774	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+3H2O+2H"	56.04448
"1515622"	907.73029	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+IsoProp+H"	61.06479
"416399"	877.641688	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Na+K"	61.952376
"771927"	1300.974438	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Na+K"	61.952376
"1669715"	454.308938	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+K"	61.952376
"258059"	1757.346768	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+ACN+Na"	64.015768
"1228582"	910.681268	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+Na"	64.015768
"1718563"	910.704793	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4+HCOOH"	64.039293
"1185009"	305.211051333333	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3Na"	68.967654
"1653807"	915.660188	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+HCOOH"	68.994688
"161764"	1770.25004	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2K-H"	76.91904
"600594"	2616.91554	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2K-H"	76.91904
"1088022"	923.58454	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K-H"	76.91904
"144475"	885.628658	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2K"	77.926316
"584398"	1308.961408	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2K"	77.926316
"1070003"	462.295908	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K"	77.926316
"1102484"	925.599092	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K+H"	78.933592
"1337412"	925.686707	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+DMSO+H"	79.021207
"1006309"	929.725876	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2ACN+H"	83.060376
"1527357"	930.719508	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+IsoProp+Na+H"	84.054008
"997088"	465.366576	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2ACN+2H"	84.067652
"1598154"	931.634128	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K+HCOOH"	84.968628
"1426005"	961.665638	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+CF3COOH"	115.000138
"1153011"	485.879851	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3ACN+2H"	125.094202
"1698185"	978.692185	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4+CF3COOH"	132.026685
"1638210"	983.64758	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+CF3COOH"	136.98208
"1573863"	999.62152	"C00348"	"all-trans-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K+CF3COOH"	152.95602
"815164"	102.0317	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M"	0
"983228"	83.01331	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H2O-H"	-19.01839
"71470"	67.0138573333333	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-3H"	-3.021828
"506657"	101.024424	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-3H"	-3.021828
"883365"	33.0032906666667	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-3H"	-3.021828
"3031"	101.024424	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H"	-2.014552
"442955"	152.040274	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H"	-2.014552
"821493"	50.008574	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H"	-2.014552
"78933"	203.056124	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-H"	-1.007276
"519338"	305.087824	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-H"	-1.007276
"896167"	101.024424	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H"	-1.007276
"47626"	220.082671	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+NH4"	16.019271
"488040"	322.114371	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+NH4"	16.019271
"865104"	118.050971	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+NH4"	16.019271
"32641"	225.038066	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+Na"	20.974666
"472207"	327.069766	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+Na"	20.974666
"849396"	123.006366	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+Na"	20.974666
"1619554"	123.006366	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na-2H"	20.974666
"94533"	119.012763	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-H+Cl"	33.962126
"534541"	170.028613	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-H+Cl"	33.962126
"927245"	67.996913	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+Cl"	33.962126
"267949"	239.032802	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Cl"	34.969402
"660245"	341.064502	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Cl"	34.969402
"1274354"	137.001102	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl"	34.969402
"16179"	241.012006	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+K"	36.948606
"456230"	343.043706	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+K"	36.948606
"833546"	138.980306	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+K"	36.948606
"1556912"	138.980306	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K-2H"	36.948606
"943945"	147.029894	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+HCOOH"	44.998194
"364595"	249.061601	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+HCOOH-H"	44.998201
"348841"	263.077251	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Hac-H"	59.013851
"1493050"	161.045551	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Hac-H"	59.013851
"963028"	169.011851	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+NaCOOH"	66.980151
"115583"	137.001102	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Cl"	69.938804
"557706"	188.016952	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Cl"	69.938804
"1030877"	85.985252	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Cl"	69.938804
"1250459"	180.950585	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Br"	78.918885
"1311814"	183.006572	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+HCOOH"	80.974872
"1325299"	204.988529	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+NaCOOH"	102.956829
"912466"	215.017286	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+CF3COOH"	112.985586
"1291240"	250.993964	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+CF3COOH"	148.962264
"1367941"	67.019024	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H-2H2O"	-35.012676
"1387269"	85.029	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H-H2O"	-17.0027
"285859"	205.070676	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H"	1.007276
"683753"	307.102376	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H"	1.007276
"1354637"	103.038976	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H"	1.007276
"128984"	103.038976	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2H"	2.014552
"570368"	154.054826	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2H"	2.014552
"1044635"	52.023126	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2H"	2.014552
"211445"	69.0284093333333	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+3H"	3.021828
"652099"	103.038976	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+3H"	3.021828
"1171317"	35.0178426666667	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3H"	3.021828
"437872"	222.097223	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+NH4"	18.033823
"797777"	324.128923	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+NH4"	18.033823
"1693015"	120.065523	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4"	18.033823
"340200"	111.5522495	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+NH4"	19.041099
"733715"	162.5680995	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+NH4"	19.041099
"1485348"	60.5363995	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+NH4"	19.041099
"402936"	227.052618	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Na"	22.989218
"758460"	329.084318	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Na"	22.989218
"1604009"	125.020918	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na"	22.989218
"315017"	114.029947	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+Na"	23.996494
"709016"	165.045797	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+Na"	23.996494
"1463203"	63.014097	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+Na"	23.996494
"1054985"	42.3451566666667	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2H+Na"	25.00377
"1259947"	135.065186	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+CH3OH+H"	33.033486
"385083"	243.026558	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+K"	38.963158
"744986"	345.058258	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+K"	38.963158
"1543758"	140.994858	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K"	38.963158
"302028"	122.016917	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+K"	39.970434
"694451"	173.032767	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+K"	39.970434
"1447541"	71.001067	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+K"	39.970434
"239058"	246.097226	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+ACN+H"	42.033826
"1210915"	144.065526	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+H"	42.033826
"1194919"	72.536401	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+2H"	43.041102
"189368"	249.03456	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Na-H"	44.97116
"630992"	351.06626	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Na-H"	44.97116
"1134516"	147.00286	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Na-H"	44.97116
"178173"	125.020918	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Na"	45.978436
"619921"	176.036768	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Na"	45.978436
"1119051"	74.005068	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Na"	45.978436
"1404761"	49.6724706666667	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+2Na"	46.985712
"1434690"	149.044446	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+HCOOH"	47.012746
"224385"	130.05394	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+3H2O+2H"	56.04448
"1517918"	163.09649	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+IsoProp+H"	61.06479
"416509"	133.007888	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Na+K"	61.952376
"774223"	184.023738	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Na+K"	61.952376
"1669460"	81.992038	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+K"	61.952376
"259260"	268.079168	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+ACN+Na"	64.015768
"1231971"	166.047468	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+Na"	64.015768
"1720859"	166.070993	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4+HCOOH"	64.039293
"1187305"	56.9997846666667	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3Na"	68.967654
"1658291"	171.026388	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+HCOOH"	68.994688
"167341"	280.98244	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2K-H"	76.91904
"600340"	383.01414	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2K-H"	76.91904
"1089226"	178.95074	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K-H"	76.91904
"146042"	140.994858	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2K"	77.926316
"584873"	192.010708	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2K"	77.926316
"1071207"	89.979008	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K"	77.926316
"1103323"	180.965292	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K+H"	78.933592
"1338007"	181.052907	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+DMSO+H"	79.021207
"1006420"	185.092076	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2ACN+H"	83.060376
"1527468"	186.085708	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+IsoProp+Na+H"	84.054008
"995012"	93.049676	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2ACN+2H"	84.067652
"1596078"	187.000328	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K+HCOOH"	84.968628
"1426115"	217.031838	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+CF3COOH"	115.000138
"1153121"	113.562951	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3ACN+2H"	125.094202
"1698295"	234.058385	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4+CF3COOH"	132.026685
"1635038"	239.01378	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+CF3COOH"	136.98208
"1572880"	254.98772	"C00349"	"2-Methyl-3-oxopropanoate;3-Oxo-2-methylpropanoate;Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K+CF3COOH"	152.95602
"803245"	259.0457	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M"	0
"988805"	240.02731	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-H2O-H"	-19.01839
"74860"	171.689857333333	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M-3H"	-3.021828
"513327"	258.038424	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M-3H"	-3.021828
"885661"	85.3412906666667	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-3H"	-3.021828
"2055"	258.038424	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H"	-2.014552
"445987"	387.561274	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H"	-2.014552
"819417"	128.515574	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-2H"	-2.014552
"79403"	517.084124	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M-H"	-1.007276
"520059"	776.129824	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M-H"	-1.007276
"897865"	258.038424	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-H"	-1.007276
"47289"	534.110671	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+NH4"	16.019271
"487416"	793.156371	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+NH4"	16.019271
"864370"	275.064971	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+NH4"	16.019271
"31823"	539.066066	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+Na"	20.974666
"472208"	798.111766	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+Na"	20.974666
"849394"	280.020366	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+Na"	20.974666
"1619300"	280.020366	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Na-2H"	20.974666
"94855"	276.026763	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M-H+Cl"	33.962126
"535506"	405.549613	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M-H+Cl"	33.962126
"927559"	146.503913	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-H+Cl"	33.962126
"267818"	553.060802	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+Cl"	34.969402
"661095"	812.106502	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+Cl"	34.969402
"1276660"	294.015102	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl"	34.969402
"18485"	555.040006	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+K"	36.948606
"458044"	814.085706	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+K"	36.948606
"834756"	295.994306	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+K"	36.948606
"1559705"	295.994306	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+K-2H"	36.948606
"950869"	304.043894	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-H+HCOOH"	44.998194
"366166"	563.089601	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+HCOOH-H"	44.998201
"349689"	577.105251	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+Hac-H"	59.013851
"1496331"	318.059551	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Hac-H"	59.013851
"966071"	326.025851	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-H+NaCOOH"	66.980151
"112791"	294.015102	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Cl"	69.938804
"553444"	423.537952	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Cl"	69.938804
"1023334"	164.492252	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2Cl"	69.938804
"1247288"	337.964585	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Br"	78.918885
"1306817"	340.020572	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+HCOOH"	80.974872
"1322491"	362.002529	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+NaCOOH"	102.956829
"914280"	372.031286	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M-H+CF3COOH"	112.985586
"1293179"	408.007964	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+CF3COOH"	148.962264
"1374257"	224.033024	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H-2H2O"	-35.012676
"1388471"	242.043	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H-H2O"	-17.0027
"291447"	519.098676	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+H"	1.007276
"677671"	778.144376	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+H"	1.007276
"1358028"	260.052976	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H"	1.007276
"132011"	260.052976	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+2H"	2.014552
"573762"	389.575826	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+2H"	2.014552
"1042560"	130.530126	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2H"	2.014552
"212648"	173.704409333333	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H"	3.021828
"656222"	260.052976	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+3H"	3.021828
"1175079"	87.3558426666667	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+3H"	3.021828
"436890"	536.125223	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+NH4"	18.033823
"800806"	795.170923	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+NH4"	18.033823
"1687658"	277.079523	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4"	18.033823
"338121"	268.5662495	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+NH4"	19.041099
"727631"	398.0890995	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+NH4"	19.041099
"1482176"	139.0433995	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H+NH4"	19.041099
"400859"	541.080618	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na"	22.989218
"760760"	800.126318	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na"	22.989218
"1607765"	282.034918	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Na"	22.989218
"319987"	271.043947	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+Na"	23.996494
"711315"	400.566797	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+Na"	23.996494
"1464404"	141.521097	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H+Na"	23.996494
"1054731"	94.6831566666667	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2H+Na"	25.00377
"1258231"	292.079186	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+CH3OH+H"	33.033486
"381183"	557.054558	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+K"	38.963158
"741813"	816.100258	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+K"	38.963158
"1540141"	298.008858	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+K"	38.963158
"299097"	279.030917	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+K"	39.970434
"691638"	408.553767	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+K"	39.970434
"1445825"	149.508067	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H+K"	39.970434
"236495"	560.125226	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+H"	42.033826
"1211394"	301.079526	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+H"	42.033826
"1198317"	151.043401	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+2H"	43.041102
"201044"	563.06256	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na-H"	44.97116
"636958"	822.10826	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na-H"	44.97116
"1138643"	304.01686	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na-H"	44.97116
"181565"	282.034918	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na"	45.978436
"618936"	411.557768	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na"	45.978436
"1121350"	152.512068	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na"	45.978436
"1407059"	102.010470666667	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H+2Na"	46.985712
"1438086"	306.058446	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H+HCOOH"	47.012746
"226687"	287.06794	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H2O+2H"	56.04448
"1516933"	320.11049	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+H"	61.06479
"415525"	290.021888	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na+K"	61.952376
"773236"	419.544738	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na+K"	61.952376
"1669569"	160.499038	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+K"	61.952376
"258275"	582.107168	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+Na"	64.015768
"1236828"	323.061468	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+Na"	64.015768
"1725349"	323.084993	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+HCOOH"	64.039293
"1189608"	109.337784666667	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+3Na"	68.967654
"1659499"	328.040388	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+HCOOH"	68.994688
"163081"	595.01044	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K-H"	76.91904
"600454"	854.05614	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K-H"	76.91904
"1092620"	335.96474	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2K-H"	76.91904
"148344"	298.008858	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K"	77.926316
"585716"	427.531708	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K"	77.926316
"1069623"	168.486008	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2K"	77.926316
"1100643"	337.979292	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2K+H"	78.933592
"1343113"	338.066907	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+DMSO+H"	79.021207
"1010549"	342.106076	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+H"	83.060376
"1533052"	343.099708	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+Na+H"	84.054008
"1003755"	171.556676	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+2H"	84.067652
"1590724"	344.014328	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+K+HCOOH"	84.968628
"1421852"	374.045838	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+H+CF3COOH"	115.000138
"1149951"	192.069951	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+3ACN+2H"	125.094202
"1703876"	391.072385	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+CF3COOH"	132.026685
"1647183"	396.02778	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+CF3COOH"	136.98208
"1579553"	412.00172	"C00352"	"D-Glucosamine 6-phosphate;D-Glucosamine phosphate"	"C6H14NO8P"	"259.0457"	"M+K+CF3COOH"	152.95602
"804084"	450.1936	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M"	0
"980168"	431.17521	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H2O-H"	-19.01839
"69503"	299.121790666667	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-3H"	-3.021828
"510157"	449.186324	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-3H"	-3.021828
"884678"	149.057257333333	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-3H"	-3.021828
"2529"	449.186324	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H"	-2.014552
"445004"	674.283124	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H"	-2.014552
"818798"	224.089524	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H"	-2.014552
"79271"	899.379924	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H"	-1.007276
"519440"	1349.573524	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H"	-1.007276
"899069"	449.186324	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H"	-1.007276
"47209"	916.406471	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+NH4"	16.019271
"487148"	1366.600071	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+NH4"	16.019271
"864846"	466.212871	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+NH4"	16.019271
"31484"	921.361866	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+Na"	20.974666
"475356"	1371.555466	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+Na"	20.974666
"853158"	471.168266	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+Na"	20.974666
"1620504"	471.168266	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na-2H"	20.974666
"95085"	467.174663	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H+Cl"	33.962126
"535252"	692.271463	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H+Cl"	33.962126
"927914"	242.077863	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+Cl"	33.962126
"267358"	935.356602	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Cl"	34.969402
"662179"	1385.550202	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Cl"	34.969402
"1275677"	485.163002	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl"	34.969402
"17502"	937.335806	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+K"	36.948606
"459248"	1387.529406	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+K"	36.948606
"834136"	487.142206	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+K"	36.948606
"1558723"	487.142206	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K-2H"	36.948606
"947699"	495.191794	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+HCOOH"	44.998194
"362632"	945.385401	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+HCOOH-H"	44.998201
"349799"	959.401051	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Hac-H"	59.013851
"1493528"	509.207451	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Hac-H"	59.013851
"967276"	517.173751	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+NaCOOH"	66.980151
"117275"	485.163002	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Cl"	69.938804
"551123"	710.259802	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Cl"	69.938804
"1026728"	260.066202	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Cl"	69.938804
"1242659"	529.112485	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Br"	78.918885
"1306565"	531.168472	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+HCOOH"	80.974872
"1320775"	553.150429	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+NaCOOH"	102.956829
"911505"	563.179186	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+CF3COOH"	112.985586
"1288698"	599.155864	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+CF3COOH"	148.962264
"1368902"	415.180924	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-2H2O"	-35.012676
"1390773"	433.1909	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-H2O"	-17.0027
"288279"	901.394476	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H"	1.007276
"685073"	1351.588076	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H"	1.007276
"1355954"	451.200876	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H"	1.007276
"131392"	451.200876	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2H"	2.014552
"576059"	676.297676	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2H"	2.014552
"1052397"	226.104076	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H"	2.014552
"214947"	301.136342666667	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H"	3.021828
"658646"	451.200876	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+3H"	3.021828
"1173730"	151.071809333333	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3H"	3.021828
"437001"	918.421023	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+NH4"	18.033823
"799821"	1368.614623	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+NH4"	18.033823
"1689953"	468.227423	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4"	18.033823
"336044"	459.7141495	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+NH4"	19.041099
"732845"	684.8109495	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+NH4"	19.041099
"1482294"	234.6173495	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+NH4"	19.041099
"397691"	923.376418	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na"	22.989218
"758687"	1373.570018	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na"	22.989218
"1606786"	473.182818	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na"	22.989218
"319005"	462.191847	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+Na"	23.996494
"709240"	687.288647	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+Na"	23.996494
"1464515"	237.095047	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+Na"	23.996494
"1055207"	158.399123333333	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H+Na"	25.00377
"1257974"	483.227086	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+CH3OH+H"	33.033486
"380929"	939.350358	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+K"	38.963158
"741924"	1389.543958	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+K"	38.963158
"1540696"	489.156758	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K"	38.963158
"299044"	470.178817	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+K"	39.970434
"691787"	695.275617	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+K"	39.970434
"1445855"	245.082017	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+K"	39.970434
"235991"	942.421026	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+H"	42.033826
"1211262"	492.227426	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+H"	42.033826
"1196240"	246.617351	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+2H"	43.041102
"203705"	945.35836	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na-H"	44.97116
"641077"	1395.55196	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na-H"	44.97116
"1135467"	495.16476	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na-H"	44.97116
"176569"	473.182818	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na"	45.978436
"617952"	698.279618	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na"	45.978436
"1123644"	248.086018	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na"	45.978436
"1403888"	165.726437333333	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+2Na"	46.985712
"1442568"	497.206346	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+HCOOH"	47.012746
"228983"	478.21584	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H2O+2H"	56.04448
"1514128"	511.25839	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+H"	61.06479
"413813"	481.169788	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na+K"	61.952376
"771889"	706.266588	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na+K"	61.952376
"1667128"	256.072988	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+K"	61.952376
"255105"	964.402968	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+Na"	64.015768
"1228546"	514.209368	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+Na"	64.015768
"1726550"	514.232893	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+HCOOH"	64.039293
"1189717"	173.053751333333	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3Na"	68.967654
"1659609"	519.188288	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+HCOOH"	68.994688
"163191"	977.30624	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K-H"	76.91904
"602023"	1427.49984	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K-H"	76.91904
"1092730"	527.11264	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K-H"	76.91904
"150641"	489.156758	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K"	77.926316
"585825"	714.253558	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K"	77.926316
"1070705"	264.059958	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K"	77.926316
"1101482"	529.127192	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K+H"	78.933592
"1336651"	529.214807	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+DMSO+H"	79.021207
"1010653"	533.253976	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+H"	83.060376
"1534255"	534.247608	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+Na+H"	84.054008
"1003258"	267.130626	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+2H"	84.067652
"1594113"	535.162228	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+HCOOH"	84.968628
"1421962"	565.193738	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+CF3COOH"	115.000138
"1150061"	287.643901	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3ACN+2H"	125.094202
"1703986"	582.220285	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+CF3COOH"	132.026685
"1645106"	587.17568	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+CF3COOH"	136.98208
"1579663"	603.14962	"C00353"	"Geranylgeranyl diphosphate;Geranylgeranyl pyrophosphate;all-trans-Geranylgeranyl diphosphate;all-trans-Geranylgeranyl pyrophosphate;(2E6E10E)-371115-Tetramethylhexadeca-261014-tetraen-1-yl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+CF3COOH"	152.95602
"802372"	339.996	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"981371"	320.97761	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"72893"	225.656724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"510267"	338.988724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"884788"	112.324724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"1545"	338.988724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"444021"	508.986724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"819636"	168.990724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"81814"	678.984724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"522467"	1018.980724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"901363"	338.988724	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"47472"	696.011271	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"487158"	1036.007271	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"864249"	356.015271	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"31762"	700.966666	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"475101"	1040.962666	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"851446"	360.970666	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1621708"	360.970666	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"94398"	356.977063	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"534369"	526.975063	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"927105"	186.979063	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"267183"	714.961402	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"661560"	1054.957402	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1276880"	374.965402	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"16354"	716.940606	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"457171"	1056.936606	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"834615"	376.944606	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1560292"	376.944606	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"951090"	384.994194	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"362499"	724.990201	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"352096"	739.005851	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1497650"	399.009851	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"970665"	406.976151	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"123824"	374.965402	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"551843"	544.963402	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1029025"	204.967402	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1243134"	418.914885	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1307404"	420.970872	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1320154"	442.952829	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"911470"	452.981586	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1288972"	488.958264	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1369012"	304.983324	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1390883"	322.9933	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"294949"	680.999276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"688099"	1020.995276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1356064"	341.003276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"132232"	341.003276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"577263"	511.001276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1050076"	171.005276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"212869"	227.671276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"658633"	341.003276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1176394"	114.339276	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"437108"	698.025823	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"798833"	1038.021823	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1691157"	358.029823	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"338342"	349.5165495	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"727485"	519.5145495	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1482404"	179.5185495	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"397801"	702.981218	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"760984"	1042.977218	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1605802"	362.985218	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"316931"	351.994247	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"708257"	521.992247	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1463533"	181.996247	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1053860"	121.66659	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1261372"	373.029486	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"381040"	718.955158	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"744221"	1058.951158	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1540932"	378.959158	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"301265"	359.981217	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"691985"	529.979217	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1445627"	189.983217	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"235729"	722.025826	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1211738"	382.029826	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1194224"	191.518551	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"202721"	724.96316	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"642767"	1064.95916	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1136306"	384.96716	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"176680"	362.985218	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"618062"	532.983218	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1122661"	192.987218	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1402905"	128.993904	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1439398"	387.008746	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"232373"	368.01824	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1517154"	401.06079	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"415746"	370.972188	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"772364"	540.970188	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1668695"	200.974188	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"253392"	744.007768	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1231204"	404.011768	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1725931"	404.035293	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1190922"	136.321218	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1659719"	408.990688	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"167675"	756.91104	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"601769"	1096.90704	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1092840"	416.91504	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"149658"	378.959158	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"585207"	548.957158	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1070453"	208.961158	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1099965"	418.929592	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1335624"	419.017207	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1010763"	423.056376	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1538738"	424.050008	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"1000816"	212.031826	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1595316"	424.964628	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1424258"	454.996138	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1147619"	232.545101	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1698264"	472.022685	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1645216"	476.97808	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1579773"	492.95202	"C00354"	"D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"803576"	197.0688	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M"	0
"980388"	178.05041	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H2O-H"	-19.01839
"69723"	130.371924	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-3H"	-3.021828
"507097"	196.061524	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-3H"	-3.021828
"884898"	64.682324	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-3H"	-3.021828
"2384"	196.061524	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H"	-2.014552
"443038"	294.595924	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H"	-2.014552
"820109"	97.527124	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H"	-2.014552
"86298"	393.130324	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-H"	-1.007276
"524764"	590.199124	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-H"	-1.007276
"897220"	196.061524	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H"	-1.007276
"48193"	410.156871	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H+NH4"	16.019271
"487749"	607.225671	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H+NH4"	16.019271
"865431"	213.088071	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H+NH4"	16.019271
"31997"	415.112266	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H+Na"	20.974666
"473875"	612.181066	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H+Na"	20.974666
"853379"	218.043466	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H+Na"	20.974666
"1621089"	218.043466	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na-2H"	20.974666
"94413"	214.049863	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-H+Cl"	33.962126
"534452"	312.584263	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-H+Cl"	33.962126
"927187"	115.515463	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+Cl"	33.962126
"267186"	429.107002	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Cl"	34.969402
"662762"	626.175802	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+Cl"	34.969402
"1274437"	232.038202	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl"	34.969402
"17721"	431.086206	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H+K"	36.948606
"457281"	628.155006	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H+K"	36.948606
"834724"	234.017406	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H+K"	36.948606
"1563318"	234.017406	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K-2H"	36.948606
"944640"	242.066994	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+HCOOH"	44.998194
"362486"	439.135801	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+HCOOH-H"	44.998201
"348926"	453.151451	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Hac-H"	59.013851
"1497760"	256.082651	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Hac-H"	59.013851
"965305"	264.048951	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+NaCOOH"	66.980151
"114211"	232.038202	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2Cl"	69.938804
"561429"	330.572602	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2Cl"	69.938804
"1032415"	133.503802	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2Cl"	69.938804
"1241498"	275.987685	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Br"	78.918885
"1306421"	278.043672	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl+HCOOH"	80.974872
"1320006"	300.025629	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl+NaCOOH"	102.956829
"911601"	310.054386	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+CF3COOH"	112.985586
"1288597"	346.031064	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl+CF3COOH"	148.962264
"1371309"	162.056124	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H-2H2O"	-35.012676
"1383581"	180.0661	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H-H2O"	-17.0027
"295059"	395.144876	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H"	1.007276
"688573"	592.213676	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H"	1.007276
"1355081"	198.076076	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H"	1.007276
"130156"	198.076076	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2H"	2.014552
"577373"	296.610476	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2H"	2.014552
"1050550"	99.541676	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2H"	2.014552
"211886"	132.386476	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+3H"	3.021828
"657649"	198.076076	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+3H"	3.021828
"1176506"	66.696876	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+3H"	3.021828
"437097"	412.171423	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+NH4"	18.033823
"798214"	609.240223	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+NH4"	18.033823
"1693819"	215.102623	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+NH4"	18.033823
"337359"	206.5893495	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H+NH4"	19.041099
"730875"	305.1237495	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H+NH4"	19.041099
"1480326"	108.0549495	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+NH4"	19.041099
"396817"	417.126818	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Na"	22.989218
"761093"	614.195618	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+Na"	22.989218
"1605912"	220.058018	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na"	22.989218
"318133"	209.067047	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H+Na"	23.996494
"708368"	307.601447	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H+Na"	23.996494
"1464372"	110.532647	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+Na"	23.996494
"1056522"	74.02419	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2H+Na"	25.00377
"1262575"	230.102286	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+CH3OH+H"	33.033486
"382243"	433.100758	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+K"	38.963158
"745424"	630.169558	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+K"	38.963158
"1540554"	236.031958	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K"	38.963158
"300645"	217.054017	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H+K"	39.970434
"694160"	315.588417	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H+K"	39.970434
"1446155"	118.519617	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+K"	39.970434
"235753"	436.171426	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+ACN+H"	42.033826
"1210100"	239.102626	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+ACN+H"	42.033826
"1194347"	120.054951	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+ACN+2H"	43.041102
"200643"	439.10876	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2Na-H"	44.97116
"641660"	636.17756	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2Na-H"	44.97116
"1135323"	242.03996	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2Na-H"	44.97116
"177883"	220.058018	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2Na"	45.978436
"616350"	318.592418	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2Na"	45.978436
"1119855"	121.523618	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2Na"	45.978436
"1402286"	81.351504	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+2Na"	46.985712
"1437321"	244.081546	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+HCOOH"	47.012746
"228109"	225.09104	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+3H2O+2H"	56.04448
"1513254"	258.13359	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+IsoProp+H"	61.06479
"411116"	228.044988	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Na+K"	61.952376
"771745"	326.579388	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+Na+K"	61.952376
"1667711"	129.510588	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na+K"	61.952376
"251921"	458.153368	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+ACN+Na"	64.015768
"1232406"	261.084568	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+ACN+Na"	64.015768
"1722763"	261.108093	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+NH4+HCOOH"	64.039293
"1184469"	88.678818	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+3Na"	68.967654
"1654360"	266.063488	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na+HCOOH"	68.994688
"162315"	471.05664	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2K-H"	76.91904
"601149"	668.12544	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2K-H"	76.91904
"1089305"	273.98784	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2K-H"	76.91904
"147582"	236.031958	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2K"	77.926316
"583493"	334.566358	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2K"	77.926316
"1071656"	137.497558	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2K"	77.926316
"1100036"	276.002392	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2K+H"	78.933592
"1336013"	276.090007	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+DMSO+H"	79.021207
"1006000"	280.129176	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2ACN+H"	83.060376
"1525724"	281.122808	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+IsoProp+Na+H"	84.054008
"1002019"	140.568226	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2ACN+2H"	84.067652
"1595426"	282.037428	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K+HCOOH"	84.968628
"1424368"	312.068938	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+CF3COOH"	115.000138
"1148457"	161.081501	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+3ACN+2H"	125.094202
"1699102"	329.095485	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+NH4+CF3COOH"	132.026685
"1646420"	334.05088	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na+CF3COOH"	136.98208
"1579883"	350.02482	"C00355"	"34-Dihydroxy-L-phenylalanine;L-Dopa;3-Hydroxy-L-tyrosine;L-beta-(34-Dihydroxyphenyl)alanine;Levodopa;Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K+CF3COOH"	152.95602
"816691"	911.1575	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M"	0
"980501"	892.13911	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H2O-H"	-19.01839
"69837"	606.431057333333	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-3H"	-3.021828
"511583"	910.150224	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-3H"	-3.021828
"889387"	302.711890666667	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-3H"	-3.021828
"5777"	910.150224	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H"	-2.014552
"442057"	1365.728974	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H"	-2.014552
"818152"	454.571474	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H"	-2.014552
"79603"	1821.307724	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-H"	-1.007276
"519890"	2732.465224	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-H"	-1.007276
"897938"	910.150224	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H"	-1.007276
"51584"	1838.334271	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H+NH4"	16.019271
"488103"	2749.491771	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H+NH4"	16.019271
"865426"	927.176771	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H+NH4"	16.019271
"32233"	1843.289666	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H+Na"	20.974666
"476416"	2754.447166	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H+Na"	20.974666
"859688"	932.132166	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H+Na"	20.974666
"1631409"	932.132166	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na-2H"	20.974666
"102470"	928.138563	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-H+Cl"	33.962126
"547987"	1383.717313	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-H+Cl"	33.962126
"933358"	472.559813	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+Cl"	33.962126
"270819"	1857.284402	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Cl"	34.969402
"670899"	2768.441902	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+Cl"	34.969402
"1284395"	946.126902	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl"	34.969402
"28046"	1859.263606	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H+K"	36.948606
"465417"	2770.421106	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H+K"	36.948606
"836657"	948.106106	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H+K"	36.948606
"1568536"	948.106106	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K-2H"	36.948606
"950221"	956.155694	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+HCOOH"	44.998194
"372813"	1867.313201	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+HCOOH-H"	44.998201
"353417"	1881.328851	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Hac-H"	59.013851
"1508255"	970.171351	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Hac-H"	59.013851
"973442"	978.137651	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+NaCOOH"	66.980151
"124985"	946.126902	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2Cl"	69.938804
"565550"	1401.705652	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2Cl"	69.938804
"1036860"	490.548152	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2Cl"	69.938804
"1243723"	990.076385	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Br"	78.918885
"1306171"	992.132372	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl+HCOOH"	80.974872
"1323304"	1014.114329	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl+NaCOOH"	102.956829
"911808"	1024.143086	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+CF3COOH"	112.985586
"1289614"	1060.119764	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl+CF3COOH"	148.962264
"1371423"	876.144824	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H-2H2O"	-35.012676
"1392202"	894.1548	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H-H2O"	-17.0027
"291891"	1823.322276	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H"	1.007276
"686500"	2734.479776	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H"	1.007276
"1362847"	912.164776	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H"	1.007276
"128810"	912.164776	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2H"	2.014552
"574203"	1367.743526	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2H"	2.014552
"1050543"	456.586026	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2H"	2.014552
"218689"	608.445609333333	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+3H"	3.021828
"657396"	912.164776	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+3H"	3.021828
"1177473"	304.726442666667	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+3H"	3.021828
"438068"	1840.348823	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+NH4"	18.033823
"799424"	2751.506323	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+NH4"	18.033823
"1695749"	929.191323	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+NH4"	18.033823
"340756"	920.6780495	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H+NH4"	19.041099
"730989"	1376.2567995	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H+NH4"	19.041099
"1491017"	465.0992995	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+NH4"	19.041099
"403131"	1845.304218	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Na"	22.989218
"760114"	2756.461718	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+Na"	22.989218
"1602983"	934.146718	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na"	22.989218
"317153"	923.155747	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H+Na"	23.996494
"707750"	1378.734497	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H+Na"	23.996494
"1463393"	467.576997	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+Na"	23.996494
"1053601"	312.053756666667	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2H+Na"	25.00377
"1258316"	944.190986	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+CH3OH+H"	33.033486
"377742"	1861.278158	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+K"	38.963158
"740070"	2772.435658	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+K"	38.963158
"1541395"	950.120658	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K"	38.963158
"299178"	931.142717	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H+K"	39.970434
"692819"	1386.721467	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H+K"	39.970434
"1445909"	475.563967	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+K"	39.970434
"240710"	1864.348826	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+ACN+H"	42.033826
"1214512"	953.191326	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+ACN+H"	42.033826
"1197299"	477.099301	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+ACN+2H"	43.041102
"194924"	1867.28616	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2Na-H"	44.97116
"638492"	2778.44366	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2Na-H"	44.97116
"1135435"	956.12866	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2Na-H"	44.97116
"182007"	934.146718	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2Na"	45.978436
"620473"	1389.725468	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2Na"	45.978436
"1126169"	478.567968	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2Na"	45.978436
"1410787"	319.381070666667	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+2Na"	46.985712
"1440716"	958.170246	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+HCOOH"	47.012746
"231503"	939.17974	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+3H2O+2H"	56.04448
"1518470"	972.22229	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+IsoProp+H"	61.06479
"417062"	942.133688	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Na+K"	61.952376
"774411"	1397.712438	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+Na+K"	61.952376
"1674390"	486.554938	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na+K"	61.952376
"256168"	1886.330768	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+ACN+Na"	64.015768
"1232890"	975.173268	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+ACN+Na"	64.015768
"1724692"	975.196793	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+NH4+HCOOH"	64.039293
"1180207"	326.708384666667	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+3Na"	68.967654
"1653384"	980.152188	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na+HCOOH"	68.994688
"159153"	1899.23404	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2K-H"	76.91904
"598708"	2810.39154	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2K-H"	76.91904
"1085409"	988.07654	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2K-H"	76.91904
"143320"	950.120658	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2K"	77.926316
"589445"	1405.699408	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2K"	77.926316
"1075049"	494.541908	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2K"	77.926316
"1103884"	990.091092	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2K+H"	78.933592
"1336132"	990.178707	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+DMSO+H"	79.021207
"1009894"	994.217876	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2ACN+H"	83.060376
"1529114"	995.211508	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+IsoProp+Na+H"	84.054008
"1005415"	497.612576	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2ACN+2H"	84.067652
"1601732"	996.126128	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K+HCOOH"	84.968628
"1425572"	1026.157638	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+CF3COOH"	115.000138
"1153671"	518.125851	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+3ACN+2H"	125.094202
"1704316"	1043.184185	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+NH4+CF3COOH"	132.026685
"1647623"	1048.13958	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na+CF3COOH"	136.98208
"1579993"	1064.11352	"C00356"	"(S)-3-Hydroxy-3-methylglutaryl-CoA;Hydroxymethylglutaryl-CoA;Hydroxymethylglutaroyl coenzyme A;HMG-CoA;3-Hydroxy-3-methylglutaryl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K+CF3COOH"	152.95602
"802337"	301.0563	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M"	0
"980608"	282.03791	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H2O-H"	-19.01839
"69943"	199.696924	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-3H"	-3.021828
"507317"	300.049024	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-3H"	-3.021828
"881838"	99.344824	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-3H"	-3.021828
"4791"	300.049024	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H"	-2.014552
"440826"	450.577174	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H"	-2.014552
"821423"	149.520874	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H"	-2.014552
"81171"	601.105324	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H"	-1.007276
"524984"	902.161624	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H"	-1.007276
"896009"	300.049024	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H"	-1.007276
"49871"	618.131871	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+NH4"	16.019271
"488092"	919.188171	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+NH4"	16.019271
"864592"	317.075571	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+NH4"	16.019271
"31845"	623.087266	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+Na"	20.974666
"476526"	924.143566	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+Na"	20.974666
"858705"	322.030966	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+Na"	20.974666
"1631398"	322.030966	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na-2H"	20.974666
"102580"	318.037363	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H+Cl"	33.962126
"548581"	468.565513	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H+Cl"	33.962126
"936748"	167.509213	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+Cl"	33.962126
"270929"	637.082002	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Cl"	34.969402
"668823"	938.138302	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Cl"	34.969402
"1284505"	336.025702	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl"	34.969402
"27063"	639.061206	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+K"	36.948606
"465527"	940.117506	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+K"	36.948606
"836768"	338.004906	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+K"	36.948606
"1566824"	338.004906	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K-2H"	36.948606
"948143"	346.054494	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+HCOOH"	44.998194
"371829"	647.110801	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+HCOOH-H"	44.998201
"359724"	661.126451	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Hac-H"	59.013851
"1508077"	360.070151	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Hac-H"	59.013851
"973185"	368.036451	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+NaCOOH"	66.980151
"125007"	336.025702	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Cl"	69.938804
"557276"	486.553852	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Cl"	69.938804
"1031543"	185.497552	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Cl"	69.938804
"1254401"	379.975185	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Br"	78.918885
"1314660"	382.031172	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+HCOOH"	80.974872
"1319961"	404.013129	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+NaCOOH"	102.956829
"911554"	414.041886	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+CF3COOH"	112.985586
"1290817"	450.018564	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+CF3COOH"	148.962264
"1372626"	266.043624	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-2H2O"	-35.012676
"1391218"	284.0536	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-H2O"	-17.0027
"295280"	603.119876	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H"	1.007276
"683328"	904.176176	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H"	1.007276
"1355302"	302.063576	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H"	1.007276
"128188"	302.063576	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2H"	2.014552
"569935"	452.591726	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2H"	2.014552
"1051140"	151.535426	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H"	2.014552
"219650"	201.711476	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H"	3.021828
"658114"	302.063576	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+3H"	3.021828
"1177456"	101.359376	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3H"	3.021828
"438906"	620.146423	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+NH4"	18.033823
"800506"	921.202723	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+NH4"	18.033823
"1695497"	319.090123	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4"	18.033823
"340865"	310.5768495	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+NH4"	19.041099
"731098"	461.1049995	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+NH4"	19.041099
"1487842"	160.0486995	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+NH4"	19.041099
"398137"	625.101818	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na"	22.989218
"762411"	926.158118	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na"	22.989218
"1608322"	324.045518	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na"	22.989218
"315805"	313.054547	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+Na"	23.996494
"707983"	463.582697	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+Na"	23.996494
"1465691"	162.526397	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+Na"	23.996494
"1056750"	108.68669	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H+Na"	25.00377
"1258425"	334.089786	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+CH3OH+H"	33.033486
"379188"	641.075758	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+K"	38.963158
"741272"	942.132058	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+K"	38.963158
"1541504"	340.019458	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K"	38.963158
"299530"	321.041517	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+K"	39.970434
"692929"	471.569667	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+K"	39.970434
"1446260"	170.513367	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+K"	39.970434
"240820"	644.146426	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+H"	42.033826
"1214622"	343.090126	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+H"	42.033826
"1197045"	172.048701	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+2H"	43.041102
"196857"	647.08376	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na-H"	44.97116
"638601"	948.14006	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na-H"	44.97116
"1135545"	346.02746	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na-H"	44.97116
"182117"	324.045518	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na"	45.978436
"617303"	474.573668	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na"	45.978436
"1124092"	173.517368	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na"	45.978436
"1410898"	116.014004	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+2Na"	46.985712
"1440825"	348.069046	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+HCOOH"	47.012746
"228333"	329.07854	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H2O+2H"	56.04448
"1516393"	362.12109	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+H"	61.06479
"414256"	332.032488	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na+K"	61.952376
"772696"	482.560638	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na+K"	61.952376
"1672313"	181.504338	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+K"	61.952376
"254455"	666.128368	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+Na"	64.015768
"1232636"	365.072068	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+Na"	64.015768
"1723709"	365.095593	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+HCOOH"	64.039293
"1182869"	123.341318	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3Na"	68.967654
"1652396"	370.050988	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+HCOOH"	68.994688
"164728"	679.03164	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K-H"	76.91904
"597603"	980.08794	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K-H"	76.91904
"1085521"	377.97534	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K-H"	76.91904
"143430"	340.019458	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K"	77.926316
"589555"	490.547608	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K"	77.926316
"1075159"	189.491308	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K"	77.926316
"1105088"	379.989892	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K+H"	78.933592
"1339285"	380.077507	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+DMSO+H"	79.021207
"1011097"	384.116676	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+H"	83.060376
"1527037"	385.110308	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+Na+H"	84.054008
"1004918"	192.561976	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+2H"	84.067652
"1600750"	386.024928	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+HCOOH"	84.968628
"1424588"	416.056438	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+CF3COOH"	115.000138
"1150501"	213.075251	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3ACN+2H"	125.094202
"1699322"	433.082985	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+CF3COOH"	132.026685
"1647733"	438.03838	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+CF3COOH"	136.98208
"1580103"	454.01232	"C00357"	"N-Acetyl-D-glucosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+CF3COOH"	152.95602
"803906"	331.0682	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M"	0
"980718"	312.04981	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-H2O-H"	-19.01839
"70053"	219.704857333333	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M-3H"	-3.021828
"507427"	330.060924	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M-3H"	-3.021828
"881948"	109.348790666667	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-3H"	-3.021828
"10368"	330.060924	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M-2H"	-2.014552
"441544"	495.595024	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M-2H"	-2.014552
"821533"	164.526824	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-2H"	-2.014552
"80917"	661.129124	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M-H"	-1.007276
"525094"	992.197324	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M-H"	-1.007276
"906176"	330.060924	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-H"	-1.007276
"48886"	678.155671	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M-2H+NH4"	16.019271
"489424"	1009.223871	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M-2H+NH4"	16.019271
"866984"	347.087471	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-2H+NH4"	16.019271
"31961"	683.111066	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M-2H+Na"	20.974666
"477730"	1014.179266	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M-2H+Na"	20.974666
"858814"	352.042866	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-2H+Na"	20.974666
"1625430"	352.042866	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Na-2H"	20.974666
"97584"	348.049263	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M-H+Cl"	33.962126
"537874"	513.583363	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M-H+Cl"	33.962126
"932482"	182.515163	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-H+Cl"	33.962126
"273226"	697.105802	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+Cl"	34.969402
"667838"	1028.174002	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+Cl"	34.969402
"1275867"	366.037602	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Cl"	34.969402
"22797"	699.085006	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M-2H+K"	36.948606
"464543"	1030.153206	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M-2H+K"	36.948606
"837968"	368.016806	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-2H+K"	36.948606
"1566932"	368.016806	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+K-2H"	36.948606
"949347"	376.066394	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-H+HCOOH"	44.998194
"373763"	707.134601	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+HCOOH-H"	44.998201
"359834"	721.150251	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+Hac-H"	59.013851
"1508406"	390.082051	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Hac-H"	59.013851
"973745"	398.048351	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-H+NaCOOH"	66.980151
"125695"	366.037602	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+2Cl"	69.938804
"565168"	531.571702	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+2Cl"	69.938804
"1036966"	200.503502	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2Cl"	69.938804
"1256460"	409.987085	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Br"	78.918885
"1313677"	412.043072	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Cl+HCOOH"	80.974872
"1326798"	434.025029	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Cl+NaCOOH"	102.956829
"914582"	444.053786	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M-H+CF3COOH"	112.985586
"1293479"	480.030464	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Cl+CF3COOH"	148.962264
"1378204"	296.055524	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H-2H2O"	-35.012676
"1396797"	314.0655	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H-H2O"	-17.0027
"293203"	663.143676	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+H"	1.007276
"680522"	994.211876	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+H"	1.007276
"1356507"	332.075476	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H"	1.007276
"134863"	332.075476	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+2H"	2.014552
"579532"	497.609576	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+2H"	2.014552
"1051129"	166.541376	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2H"	2.014552
"219872"	221.719409333333	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+3H"	3.021828
"657254"	332.075476	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+3H"	3.021828
"1177810"	111.363342666667	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+3H"	3.021828
"438651"	680.170223	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+NH4"	18.033823
"800496"	1011.238423	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+NH4"	18.033823
"1695607"	349.102023	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+NH4"	18.033823
"340975"	340.5887495	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+H+NH4"	19.041099
"735947"	506.1228495	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+H+NH4"	19.041099
"1490504"	175.0546495	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H+NH4"	19.041099
"406995"	685.125618	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+Na"	22.989218
"763616"	1016.193818	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+Na"	22.989218
"1604423"	354.057418	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Na"	22.989218
"319561"	343.066447	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+H+Na"	23.996494
"713075"	508.600547	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+H+Na"	23.996494
"1467989"	177.532347	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H+Na"	23.996494
"1055038"	118.690656666667	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2H+Na"	25.00377
"1258294"	364.101686	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+CH3OH+H"	33.033486
"379055"	701.099558	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+K"	38.963158
"739807"	1032.167758	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+K"	38.963158
"1541617"	370.031358	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+K"	38.963158
"300251"	351.053417	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+H+K"	39.970434
"694862"	516.587517	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+H+K"	39.970434
"1446495"	185.519317	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H+K"	39.970434
"242024"	704.170226	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+ACN+H"	42.033826
"1214733"	373.102026	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+ACN+H"	42.033826
"1196548"	187.054651	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+ACN+2H"	43.041102
"202434"	707.10756	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+2Na-H"	44.97116
"639804"	1038.17576	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+2Na-H"	44.97116
"1142215"	376.03936	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2Na-H"	44.97116
"186600"	354.057418	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+2Na"	45.978436
"620693"	519.591518	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+2Na"	45.978436
"1124202"	188.523318	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2Na"	45.978436
"1409914"	126.017970666667	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H+2Na"	46.985712
"1440935"	378.080946	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H+HCOOH"	47.012746
"228443"	359.09044	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+3H2O+2H"	56.04448
"1519784"	392.13299	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+IsoProp+H"	61.06479
"419469"	362.044388	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+Na+K"	61.952376
"774266"	527.578488	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+Na+K"	61.952376
"1673517"	196.510288	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Na+K"	61.952376
"254929"	726.152168	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+ACN+Na"	64.015768
"1232746"	395.083968	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+ACN+Na"	64.015768
"1719444"	395.107493	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+NH4+HCOOH"	64.039293
"1182980"	133.345284666667	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+3Na"	68.967654
"1656882"	400.062888	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Na+HCOOH"	68.994688
"164838"	739.05544	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+2K-H"	76.91904
"598931"	1070.12364	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+2K-H"	76.91904
"1087817"	407.98724	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2K-H"	76.91904
"144632"	370.031358	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"2M+2K"	77.926316
"590759"	535.565458	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"3M+2K"	77.926316
"1070896"	204.497258	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2K"	77.926316
"1104104"	410.001792	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2K+H"	78.933592
"1339395"	410.089407	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+DMSO+H"	79.021207
"1011208"	414.128576	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2ACN+H"	83.060376
"1529334"	415.122208	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+IsoProp+Na+H"	84.054008
"1005516"	207.567926	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+2ACN+2H"	84.067652
"1602199"	416.036828	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+K+HCOOH"	84.968628
"1425791"	446.068338	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+H+CF3COOH"	115.000138
"1150611"	228.081201	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+3ACN+2H"	125.094202
"1699068"	463.094885	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+NH4+CF3COOH"	132.026685
"1647843"	468.05028	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+Na+CF3COOH"	136.98208
"1580213"	484.02422	"C00360"	"dAMP;2-Deoxyadenosine 5-phosphate;2-Deoxyadenosine 5-monophosphate;Deoxyadenylic acid;Deoxyadenosine monophosphate"	"C10H14N5O6P"	"331.0682"	"M+K+CF3COOH"	152.95602
"810577"	427.0294	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M"	0
"980828"	408.01101	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H2O-H"	-19.01839
"70163"	283.678990666667	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-3H"	-3.021828
"506444"	426.022124	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-3H"	-3.021828
"880963"	141.335857333333	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-3H"	-3.021828
"10479"	426.022124	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H"	-2.014552
"450040"	639.536824	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H"	-2.014552
"819092"	212.507424	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H"	-2.014552
"80906"	853.051524	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H"	-1.007276
"523381"	1280.080924	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H"	-1.007276
"898267"	426.022124	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H"	-1.007276
"47782"	870.078071	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+NH4"	16.019271
"487332"	1297.107471	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+NH4"	16.019271
"867095"	443.048671	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+NH4"	16.019271
"34997"	875.033466	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+Na"	20.974666
"478205"	1302.062866	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+Na"	20.974666
"858924"	448.004066	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+Na"	20.974666
"1623718"	448.004066	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na-2H"	20.974666
"99883"	444.010463	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H+Cl"	33.962126
"540537"	657.525163	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H+Cl"	33.962126
"932593"	230.495763	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+Cl"	33.962126
"272608"	889.028202	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Cl"	34.969402
"669044"	1316.057602	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Cl"	34.969402
"1275612"	461.998802	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl"	34.969402
"21814"	891.007406	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+K"	36.948606
"462467"	1318.036806	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+K"	36.948606
"836985"	463.978006	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+K"	36.948606
"1569228"	463.978006	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K-2H"	36.948606
"950550"	472.027594	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+HCOOH"	44.998194
"373873"	899.057001	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+HCOOH-H"	44.998201
"359944"	913.072651	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Hac-H"	59.013851
"1508268"	486.043251	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Hac-H"	59.013851
"974130"	494.009551	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+NaCOOH"	66.980151
"125665"	461.998802	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Cl"	69.938804
"565357"	675.513502	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Cl"	69.938804
"1037022"	248.484102	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Cl"	69.938804
"1255716"	505.948285	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Br"	78.918885
"1314882"	508.004272	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+HCOOH"	80.974872
"1328002"	529.986229	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+NaCOOH"	102.956829
"914687"	540.014986	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+CF3COOH"	112.985586
"1292496"	575.991664	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+CF3COOH"	148.962264
"1375032"	392.016724	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-2H2O"	-35.012676
"1388154"	410.0267	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-H2O"	-17.0027
"296959"	855.066076	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H"	1.007276
"681361"	1282.095476	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H"	1.007276
"1356617"	428.036676	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H"	1.007276
"134973"	428.036676	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2H"	2.014552
"577815"	641.551376	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2H"	2.014552
"1050992"	214.521976	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H"	2.014552
"218655"	285.693542666667	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H"	3.021828
"659188"	428.036676	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+3H"	3.021828
"1177757"	143.350409333333	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3H"	3.021828
"439248"	872.092623	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+NH4"	18.033823
"800611"	1299.122023	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+NH4"	18.033823
"1696860"	445.063223	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4"	18.033823
"339992"	436.5499495	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+NH4"	19.041099
"736786"	650.0646495	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+NH4"	19.041099
"1489521"	223.0352495	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+NH4"	19.041099
"404919"	877.048018	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na"	22.989218
"763726"	1304.077418	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na"	22.989218
"1606356"	450.018618	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na"	22.989218
"315783"	439.027647	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+Na"	23.996494
"710270"	652.542347	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+Na"	23.996494
"1462632"	225.512947	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+Na"	23.996494
"1055148"	150.677723333333	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H+Na"	25.00377
"1259012"	460.062886	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+CH3OH+H"	33.033486
"378679"	893.021958	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+K"	38.963158
"739187"	1320.051358	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+K"	38.963158
"1541361"	465.992558	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K"	38.963158
"300362"	447.014617	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+K"	39.970434
"692415"	660.529317	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+K"	39.970434
"1451345"	233.499917	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+K"	39.970434
"238853"	896.092626	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+H"	42.033826
"1215208"	469.063226	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+H"	42.033826
"1195564"	235.035251	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+2H"	43.041102
"204002"	899.02996	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na-H"	44.97116
"642101"	1326.05936	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na-H"	44.97116
"1142325"	472.00056	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na-H"	44.97116
"184524"	450.018618	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na"	45.978436
"621897"	663.533318	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na"	45.978436
"1125405"	236.503918	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na"	45.978436
"1406741"	158.005037333333	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+2Na"	46.985712
"1438855"	474.042146	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+HCOOH"	47.012746
"231833"	455.05164	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H2O+2H"	56.04448
"1518800"	488.09419	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+H"	61.06479
"418486"	458.005588	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na+K"	61.952376
"775469"	671.520288	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na+K"	61.952376
"1674720"	244.490888	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+K"	61.952376
"255768"	918.074568	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+Na"	64.015768
"1233949"	491.045168	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+Na"	64.015768
"1720647"	491.068693	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+HCOOH"	64.039293
"1187096"	165.332351333333	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3Na"	68.967654
"1658085"	496.024088	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+HCOOH"	68.994688
"164948"	930.97784	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K-H"	76.91904
"600133"	1358.00724	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K-H"	76.91904
"1087929"	503.94844	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K-H"	76.91904
"146931"	465.992558	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K"	77.926316
"596585"	679.507258	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K"	77.926316
"1082551"	252.477858	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K"	77.926316
"1110777"	505.962992	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K+H"	78.933592
"1349594"	506.050607	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+DMSO+H"	79.021207
"1018852"	510.089776	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+H"	83.060376
"1537829"	511.083408	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+Na+H"	84.054008
"1005342"	255.548526	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+2H"	84.067652
"1602185"	511.998028	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+HCOOH"	84.968628
"1422619"	542.029538	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+CF3COOH"	115.000138
"1150721"	276.061801	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3ACN+2H"	125.094202
"1700271"	559.056085	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+CF3COOH"	132.026685
"1639205"	564.01148	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+CF3COOH"	136.98208
"1580323"	579.98542	"C00361"	"dGDP;2-Deoxyguanosine 5-diphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+CF3COOH"	152.95602
"804126"	347.0631	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M"	0
"979844"	328.04471	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-H2O-H"	-19.01839
"68086"	230.368124	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M-3H"	-3.021828
"506554"	346.055824	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M-3H"	-3.021828
"880100"	114.680424	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-3H"	-3.021828
"7309"	346.055824	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H"	-2.014552
"446871"	519.587374	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H"	-2.014552
"817101"	172.524274	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-2H"	-2.014552
"79315"	693.118924	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M-H"	-1.007276
"524220"	1040.182024	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M-H"	-1.007276
"896554"	346.055824	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-H"	-1.007276
"47152"	710.145471	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+NH4"	16.019271
"487145"	1057.208571	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+NH4"	16.019271
"864569"	363.082371	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+NH4"	16.019271
"35107"	715.100866	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+Na"	20.974666
"473574"	1062.163966	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+Na"	20.974666
"853202"	368.037766	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+Na"	20.974666
"1620911"	368.037766	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Na-2H"	20.974666
"96346"	364.044163	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M-H+Cl"	33.962126
"537000"	537.575713	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M-H+Cl"	33.962126
"927477"	190.512613	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-H+Cl"	33.962126
"272354"	729.095602	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+Cl"	34.969402
"662590"	1076.158702	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+Cl"	34.969402
"1275358"	382.032502	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl"	34.969402
"16090"	731.074806	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+K"	36.948606
"458202"	1078.137906	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+K"	36.948606
"835273"	384.011706	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+K"	36.948606
"1566057"	384.011706	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+K-2H"	36.948606
"948472"	392.061294	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-H+HCOOH"	44.998194
"375074"	739.124401	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+HCOOH-H"	44.998201
"359691"	753.140051	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+Hac-H"	59.013851
"1508448"	406.076951	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Hac-H"	59.013851
"974053"	414.043251	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-H+NaCOOH"	66.980151
"125553"	382.032502	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Cl"	69.938804
"564534"	555.564052	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Cl"	69.938804
"1037009"	208.500952	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2Cl"	69.938804
"1256192"	425.981985	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Br"	78.918885
"1316085"	428.037972	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+HCOOH"	80.974872
"1328112"	450.019929	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+NaCOOH"	102.956829
"914797"	460.048686	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M-H+CF3COOH"	112.985586
"1295878"	496.025364	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+CF3COOH"	148.962264
"1375142"	312.050424	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H-2H2O"	-35.012676
"1388264"	330.0604	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H-H2O"	-17.0027
"294513"	695.133476	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+H"	1.007276
"682564"	1042.196576	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+H"	1.007276
"1356727"	348.070376	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H"	1.007276
"133990"	348.070376	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+2H"	2.014552
"577925"	521.601926	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+2H"	2.014552
"1050740"	174.538826	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2H"	2.014552
"219941"	232.382676	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H"	3.021828
"659419"	348.070376	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+3H"	3.021828
"1176690"	116.694976	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+3H"	3.021828
"438510"	712.160023	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+NH4"	18.033823
"800839"	1059.223123	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+NH4"	18.033823
"1694735"	365.096923	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4"	18.033823
"342290"	356.5836495	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+NH4"	19.041099
"733615"	530.1151995	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+NH4"	19.041099
"1486349"	183.0520995	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H+NH4"	19.041099
"406122"	717.115418	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na"	22.989218
"763837"	1064.178518	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na"	22.989218
"1603344"	370.052318	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Na"	22.989218
"314795"	359.061347	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+Na"	23.996494
"708920"	532.592897	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+Na"	23.996494
"1464929"	185.529797	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H+Na"	23.996494
"1057080"	124.02229	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2H+Na"	25.00377
"1259850"	380.096586	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+CH3OH+H"	33.033486
"381703"	733.089358	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+K"	38.963158
"739174"	1080.152458	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+K"	38.963158
"1540496"	386.026258	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+K"	38.963158
"299011"	367.048317	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+K"	39.970434
"691716"	540.579867	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+K"	39.970434
"1451455"	193.516767	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H+K"	39.970434
"236080"	736.160026	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+H"	42.033826
"1210695"	389.096926	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+H"	42.033826
"1194573"	195.052101	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+2H"	43.041102
"200466"	739.09736	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na-H"	44.97116
"643834"	1086.16046	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na-H"	44.97116
"1142435"	392.03426	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na-H"	44.97116
"177340"	370.052318	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na"	45.978436
"619089"	543.583868	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na"	45.978436
"1123327"	196.520768	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na"	45.978436
"1404663"	131.349604	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H+2Na"	46.985712
"1440059"	394.075846	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H+HCOOH"	47.012746
"228663"	375.08534	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H2O+2H"	56.04448
"1516724"	408.12789	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+H"	61.06479
"419691"	378.039288	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na+K"	61.952376
"773393"	551.570838	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na+K"	61.952376
"1671550"	204.507738	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+K"	61.952376
"253327"	758.141968	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+Na"	64.015768
"1234059"	411.078868	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+Na"	64.015768
"1718571"	411.102393	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+HCOOH"	64.039293
"1187206"	138.676918	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+3Na"	68.967654
"1658195"	416.057788	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+HCOOH"	68.994688
"165058"	771.04524	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K-H"	76.91904
"601336"	1118.10834	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K-H"	76.91904
"1088039"	423.98214	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2K-H"	76.91904
"145948"	386.026258	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K"	77.926316
"596818"	559.557808	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K"	77.926316
"1080959"	212.494708	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2K"	77.926316
"1109794"	425.996692	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2K+H"	78.933592
"1349582"	426.084307	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+DMSO+H"	79.021207
"1018719"	430.123476	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+H"	83.060376
"1537817"	431.117108	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+Na+H"	84.054008
"1005625"	215.565376	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+2H"	84.067652
"1601444"	432.031728	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+K+HCOOH"	84.968628
"1422729"	462.063238	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+H+CF3COOH"	115.000138
"1150831"	236.078651	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+3ACN+2H"	125.094202
"1699288"	479.089785	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+CF3COOH"	132.026685
"1639315"	484.04518	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+CF3COOH"	136.98208
"1580433"	500.01912	"C00362"	"dGMP;2-Deoxyguanosine 5-monophosphate;2-Deoxyguanosine 5-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate"	"C10H14N5O7P"	"347.0631"	"M+K+CF3COOH"	152.95602
"802413"	402.0229	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M"	0
"978131"	383.00451	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-H2O-H"	-19.01839
"68196"	267.007990666667	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M-3H"	-3.021828
"506298"	401.015624	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M-3H"	-3.021828
"881183"	133.000357333333	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-3H"	-3.021828
"7419"	401.015624	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M-2H"	-2.014552
"445886"	602.027074	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M-2H"	-2.014552
"818218"	200.004174	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-2H"	-2.014552
"80031"	803.038524	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M-H"	-1.007276
"521050"	1205.061424	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M-H"	-1.007276
"898852"	401.015624	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-H"	-1.007276
"47466"	820.065071	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M-2H+NH4"	16.019271
"487386"	1222.087971	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M-2H+NH4"	16.019271
"864755"	418.042171	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-2H+NH4"	16.019271
"31791"	825.020466	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M-2H+Na"	20.974666
"472954"	1227.043366	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M-2H+Na"	20.974666
"849662"	422.997566	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-2H+Na"	20.974666
"1619925"	422.997566	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Na-2H"	20.974666
"96088"	419.003963	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M-H+Cl"	33.962126
"535648"	620.015413	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M-H+Cl"	33.962126
"928800"	217.992513	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-H+Cl"	33.962126
"270277"	839.015202	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+Cl"	34.969402
"663061"	1241.038102	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+Cl"	34.969402
"1276197"	436.992302	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Cl"	34.969402
"17658"	840.994406	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M-2H+K"	36.948606
"457576"	1243.017306	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M-2H+K"	36.948606
"835744"	438.971506	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-2H+K"	36.948606
"1561793"	438.971506	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+K-2H"	36.948606
"943479"	447.021094	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-H+HCOOH"	44.998194
"373360"	849.044001	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+HCOOH-H"	44.998201
"359799"	863.059651	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+Hac-H"	59.013851
"1508263"	461.036751	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Hac-H"	59.013851
"973630"	469.003051	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-H+NaCOOH"	66.980151
"124845"	436.992302	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+2Cl"	69.938804
"562091"	638.003752	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+2Cl"	69.938804
"1033077"	235.980852	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2Cl"	69.938804
"1251563"	480.941785	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Br"	78.918885
"1312915"	482.997772	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Cl+HCOOH"	80.974872
"1328222"	504.979729	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Cl+NaCOOH"	102.956829
"917093"	515.008486	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M-H+CF3COOH"	112.985586
"1293801"	550.985164	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Cl+CF3COOH"	148.962264
"1368074"	367.010224	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H-2H2O"	-35.012676
"1385094"	385.0202	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H-H2O"	-17.0027
"294623"	805.053076	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+H"	1.007276
"680488"	1207.075976	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+H"	1.007276
"1356837"	403.030176	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H"	1.007276
"131913"	403.030176	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+2H"	2.014552
"571474"	604.041626	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+2H"	2.014552
"1050114"	202.018726	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2H"	2.014552
"219604"	269.022542666667	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+3H"	3.021828
"659039"	403.030176	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+3H"	3.021828
"1175705"	135.014909333333	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+3H"	3.021828
"438614"	822.079623	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+NH4"	18.033823
"799975"	1224.102523	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+NH4"	18.033823
"1694845"	420.056723	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+NH4"	18.033823
"342400"	411.5434495	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+H+NH4"	19.041099
"724978"	612.5548995	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+H+NH4"	19.041099
"1486459"	210.5319995	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H+NH4"	19.041099
"404045"	827.035018	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+Na"	22.989218
"765039"	1229.057918	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+Na"	22.989218
"1603658"	425.012118	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Na"	22.989218
"314332"	414.021147	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+H+Na"	23.996494
"707364"	615.032597	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+H+Na"	23.996494
"1461795"	213.009697	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H+Na"	23.996494
"1052895"	142.342223333333	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2H+Na"	25.00377
"1257890"	435.056386	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+CH3OH+H"	33.033486
"378528"	843.008958	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+K"	38.963158
"739646"	1245.031858	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+K"	38.963158
"1540233"	440.986058	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+K"	38.963158
"298743"	422.008117	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+H+K"	39.970434
"691904"	623.019567	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+H+K"	39.970434
"1446824"	220.996667	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H+K"	39.970434
"236025"	846.079626	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+ACN+H"	42.033826
"1210434"	444.056726	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+ACN+H"	42.033826
"1194923"	222.532001	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+ACN+2H"	43.041102
"196202"	849.01696	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+2Na-H"	44.97116
"639042"	1251.03986	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+2Na-H"	44.97116
"1135983"	446.99406	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2Na-H"	44.97116
"174169"	425.012118	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+2Na"	45.978436
"614094"	626.023568	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+2Na"	45.978436
"1120157"	224.000668	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2Na"	45.978436
"1400761"	149.669537333333	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H+2Na"	46.985712
"1432512"	449.035646	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H+HCOOH"	47.012746
"223306"	430.04514	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+3H2O+2H"	56.04448
"1509177"	463.08769	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+IsoProp+H"	61.06479
"409228"	432.999088	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+Na+K"	61.952376
"772043"	634.010538	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+Na+K"	61.952376
"1666554"	231.987638	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Na+K"	61.952376
"251976"	868.061568	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+ACN+Na"	64.015768
"1231253"	466.038668	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+ACN+Na"	64.015768
"1717951"	466.062193	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+NH4+HCOOH"	64.039293
"1181119"	156.996851333333	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+3Na"	68.967654
"1650525"	471.017588	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Na+HCOOH"	68.994688
"159333"	880.96484	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+2K-H"	76.91904
"597310"	1282.98774	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+2K-H"	76.91904
"1088148"	478.94194	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2K-H"	76.91904
"143140"	440.986058	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"2M+2K"	77.926316
"593277"	641.997508	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"3M+2K"	77.926316
"1076695"	239.974608	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2K"	77.926316
"1107716"	480.956492	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2K+H"	78.933592
"1346288"	481.044107	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+DMSO+H"	79.021207
"1015913"	485.083276	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2ACN+H"	83.060376
"1536225"	486.076908	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+IsoProp+Na+H"	84.054008
"1004992"	243.045276	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+2ACN+2H"	84.067652
"1602161"	486.991528	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+K+HCOOH"	84.968628
"1420652"	517.023038	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+H+CF3COOH"	115.000138
"1150940"	263.558551	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+3ACN+2H"	125.094202
"1698304"	534.049585	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+NH4+CF3COOH"	132.026685
"1639425"	539.00498	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+Na+CF3COOH"	136.98208
"1580543"	554.97892	"C00363"	"dTDP;Deoxythymidine 5-diphosphate"	"C10H16N2O11P2"	"402.0229"	"M+K+CF3COOH"	152.95602
"809815"	322.0566	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M"	0
"977878"	303.03821	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-H2O-H"	-19.01839
"65027"	213.697124	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M-3H"	-3.021828
"503653"	321.049324	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M-3H"	-3.021828
"884577"	106.344924	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-3H"	-3.021828
"6436"	321.049324	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M-2H"	-2.014552
"445995"	482.077624	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M-2H"	-2.014552
"817591"	160.021024	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-2H"	-2.014552
"81963"	643.105924	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M-H"	-1.007276
"525533"	965.162524	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M-H"	-1.007276
"907709"	321.049324	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-H"	-1.007276
"48714"	660.132471	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M-2H+NH4"	16.019271
"488276"	982.189071	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M-2H+NH4"	16.019271
"865593"	338.075871	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-2H+NH4"	16.019271
"33006"	665.087866	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M-2H+Na"	20.974666
"473065"	987.144466	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M-2H+Na"	20.974666
"849772"	343.031266	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-2H+Na"	20.974666
"1619790"	343.031266	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Na-2H"	20.974666
"95589"	339.037663	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M-H+Cl"	33.962126
"536489"	500.065963	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M-H+Cl"	33.962126
"928911"	178.009363	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-H+Cl"	33.962126
"269294"	679.082602	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+Cl"	34.969402
"662443"	1001.139202	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+Cl"	34.969402
"1275214"	357.026002	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Cl"	34.969402
"17768"	681.061806	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M-2H+K"	36.948606
"458050"	1003.118406	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M-2H+K"	36.948606
"835125"	359.005206	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-2H+K"	36.948606
"1558623"	359.005206	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+K-2H"	36.948606
"943055"	367.054794	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-H+HCOOH"	44.998194
"372377"	689.111401	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+HCOOH-H"	44.998201
"359182"	703.127051	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+Hac-H"	59.013851
"1508019"	381.070451	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Hac-H"	59.013851
"974066"	389.036751	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-H+NaCOOH"	66.980151
"125673"	357.026002	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+2Cl"	69.938804
"562566"	518.054302	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+2Cl"	69.938804
"1033917"	195.997702	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2Cl"	69.938804
"1253860"	400.975485	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Br"	78.918885
"1305372"	403.031472	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Cl+HCOOH"	80.974872
"1329425"	425.013429	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Cl+NaCOOH"	102.956829
"923765"	435.042186	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M-H+CF3COOH"	112.985586
"1293911"	471.018864	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Cl+CF3COOH"	148.962264
"1370249"	287.043924	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H-2H2O"	-35.012676
"1385924"	305.0539	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H-H2O"	-17.0027
"284037"	645.120476	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+H"	1.007276
"685699"	967.177076	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+H"	1.007276
"1359133"	323.063876	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H"	1.007276
"134210"	323.063876	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+2H"	2.014552
"571584"	484.092176	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+2H"	2.014552
"1049132"	162.035576	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2H"	2.014552
"218984"	215.711676	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+3H"	3.021828
"658303"	323.063876	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+3H"	3.021828
"1176910"	108.359476	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+3H"	3.021828
"436901"	662.147023	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+NH4"	18.033823
"800571"	984.203623	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+NH4"	18.033823
"1695320"	340.090423	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+NH4"	18.033823
"339224"	331.5771495	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+H+NH4"	19.041099
"725088"	492.6054495	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+H+NH4"	19.041099
"1486570"	170.5488495	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H+NH4"	19.041099
"400875"	667.102418	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+Na"	22.989218
"764055"	989.159018	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+Na"	22.989218
"1606686"	345.045818	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Na"	22.989218
"314292"	334.054847	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+H+Na"	23.996494
"707387"	495.083147	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+H+Na"	23.996494
"1461820"	173.026547	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H+Na"	23.996494
"1054012"	115.68679	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2H+Na"	25.00377
"1258608"	355.090086	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+CH3OH+H"	33.033486
"379003"	683.076358	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+K"	38.963158
"739390"	1005.132958	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+K"	38.963158
"1540592"	361.019758	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+K"	38.963158
"298862"	342.041817	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+H+K"	39.970434
"692259"	503.070117	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+H+K"	39.970434
"1446447"	181.013517	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H+K"	39.970434
"237357"	686.147026	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+ACN+H"	42.033826
"1211400"	364.090426	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+ACN+H"	42.033826
"1195891"	182.548851	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+ACN+2H"	43.041102
"197406"	689.08436	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+2Na-H"	44.97116
"639151"	1011.14096	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+2Na-H"	44.97116
"1138281"	367.02776	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2Na-H"	44.97116
"173550"	345.045818	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+2Na"	45.978436
"614568"	506.074118	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+2Na"	45.978436
"1120267"	184.017518	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2Na"	45.978436
"1404883"	123.014104	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H+2Na"	46.985712
"1432986"	369.069346	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H+HCOOH"	47.012746
"223417"	350.07884	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+3H2O+2H"	56.04448
"1510376"	383.12139	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+IsoProp+H"	61.06479
"410431"	353.032788	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+Na+K"	61.952376
"771911"	514.061088	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+Na+K"	61.952376
"1667757"	192.004488	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Na+K"	61.952376
"257190"	708.128968	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+ACN+Na"	64.015768
"1227468"	386.072368	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+ACN+Na"	64.015768
"1714043"	386.095893	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+NH4+HCOOH"	64.039293
"1180613"	130.341418	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+3Na"	68.967654
"1650506"	391.051288	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Na+HCOOH"	68.994688
"157569"	721.03224	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+2K-H"	76.91904
"598141"	1043.08884	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+2K-H"	76.91904
"1084605"	398.97564	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2K-H"	76.91904
"141618"	361.019758	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"2M+2K"	77.926316
"585731"	522.048058	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"3M+2K"	77.926316
"1070362"	199.991458	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2K"	77.926316
"1107826"	400.990192	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2K+H"	78.933592
"1339837"	401.077807	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+DMSO+H"	79.021207
"1018455"	405.116976	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2ACN+H"	83.060376
"1536336"	406.110608	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+IsoProp+Na+H"	84.054008
"1003516"	203.062126	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+2ACN+2H"	84.067652
"1601299"	407.025228	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+K+HCOOH"	84.968628
"1418576"	437.056738	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+H+CF3COOH"	115.000138
"1149957"	223.575401	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+3ACN+2H"	125.094202
"1698049"	454.083285	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+NH4+CF3COOH"	132.026685
"1636252"	459.03868	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+Na+CF3COOH"	136.98208
"1580653"	475.01262	"C00364"	"dTMP;Thymidine 5-phosphate;Deoxythymidine 5-phosphate;Thymidylic acid;5-Thymidylic acid;Thymidine monophosphate;Deoxythymidylic acid;Thymidylate"	"C10H15N2O8P"	"322.0566"	"M+K+CF3COOH"	152.95602
"809925"	308.041	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M"	0
"977987"	289.02261	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-H2O-H"	-19.01839
"64771"	204.353390666667	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M-3H"	-3.021828
"503965"	307.033724	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M-3H"	-3.021828
"881768"	101.673057333333	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-3H"	-3.021828
"7638"	307.033724	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M-2H"	-2.014552
"446105"	461.054224	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M-2H"	-2.014552
"817586"	153.013224	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-2H"	-2.014552
"80616"	615.074724	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M-H"	-1.007276
"524550"	923.115724	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M-H"	-1.007276
"907819"	307.033724	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-H"	-1.007276
"47856"	632.101271	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M-2H+NH4"	16.019271
"488390"	940.142271	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M-2H+NH4"	16.019271
"864854"	324.060271	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-2H+NH4"	16.019271
"32027"	637.056666	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M-2H+Na"	20.974666
"473417"	945.097666	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M-2H+Na"	20.974666
"850369"	329.015666	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-2H+Na"	20.974666
"1620627"	329.015666	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Na-2H"	20.974666
"95575"	325.022063	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M-H+Cl"	33.962126
"536962"	479.042563	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M-H+Cl"	33.962126
"928414"	171.001563	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-H+Cl"	33.962126
"270132"	651.051402	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+Cl"	34.969402
"662189"	959.092402	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+Cl"	34.969402
"1275324"	343.010402	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Cl"	34.969402
"17878"	653.030606	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M-2H+K"	36.948606
"456824"	961.071606	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M-2H+K"	36.948606
"834872"	344.989606	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-2H+K"	36.948606
"1558733"	344.989606	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+K-2H"	36.948606
"942965"	353.039194	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-H+HCOOH"	44.998194
"362642"	661.080201	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+HCOOH-H"	44.998201
"359654"	675.095851	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+Hac-H"	59.013851
"1507029"	367.054851	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Hac-H"	59.013851
"971288"	375.021151	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-H+NaCOOH"	66.980151
"118372"	343.010402	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+2Cl"	69.938804
"564740"	497.030902	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+2Cl"	69.938804
"1035604"	188.989902	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2Cl"	69.938804
"1252874"	386.959885	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Br"	78.918885
"1312041"	389.015872	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Cl+HCOOH"	80.974872
"1329535"	410.997829	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Cl+NaCOOH"	102.956829
"921688"	421.026586	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M-H+CF3COOH"	112.985586
"1294022"	457.003264	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Cl+CF3COOH"	148.962264
"1368174"	273.028324	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H-2H2O"	-35.012676
"1384213"	291.0383	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H-H2O"	-17.0027
"287184"	617.089276	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+H"	1.007276
"679606"	925.130276	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+H"	1.007276
"1356325"	309.048276	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H"	1.007276
"129946"	309.048276	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+2H"	2.014552
"569141"	463.068776	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+2H"	2.014552
"1049970"	155.027776	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2H"	2.014552
"217873"	206.367942666667	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+3H"	3.021828
"659827"	309.048276	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+3H"	3.021828
"1174831"	103.687609333333	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+3H"	3.021828
"438104"	634.115823	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+NH4"	18.033823
"800920"	942.156823	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+NH4"	18.033823
"1696158"	326.074823	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+NH4"	18.033823
"339332"	317.5615495	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+H+NH4"	19.041099
"728478"	471.5820495	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+H+NH4"	19.041099
"1487773"	163.5410495	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H+NH4"	19.041099
"402078"	639.071218	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+Na"	22.989218
"764165"	947.112218	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+Na"	22.989218
"1606796"	331.030218	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Na"	22.989218
"314757"	320.039247	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+H+Na"	23.996494
"708396"	474.059747	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+H+Na"	23.996494
"1464162"	166.018747	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H+Na"	23.996494
"1054855"	111.014923333333	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2H+Na"	25.00377
"1258353"	341.074486	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+CH3OH+H"	33.033486
"378261"	655.045158	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+K"	38.963158
"739381"	963.086158	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+K"	38.963158
"1541069"	347.004158	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+K"	38.963158
"299095"	328.026217	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+H+K"	39.970434
"692856"	482.046717	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+H+K"	39.970434
"1446431"	174.005717	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H+K"	39.970434
"237099"	658.115826	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+ACN+H"	42.033826
"1211630"	350.074826	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+ACN+H"	42.033826
"1195999"	175.541051	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+ACN+2H"	43.041102
"194233"	661.05316	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+2Na-H"	44.97116
"635981"	969.09416	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+2Na-H"	44.97116
"1137296"	353.01216	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2Na-H"	44.97116
"175846"	331.030218	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+2Na"	45.978436
"615770"	485.050718	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+2Na"	45.978436
"1121470"	177.009718	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2Na"	45.978436
"1404993"	118.342237333333	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H+2Na"	46.985712
"1433096"	355.053746	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H+HCOOH"	47.012746
"225713"	336.06324	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+3H2O+2H"	56.04448
"1511215"	369.10579	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+IsoProp+H"	61.06479
"411633"	339.017188	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+Na+K"	61.952376
"774815"	493.037688	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+Na+K"	61.952376
"1670782"	184.996688	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Na+K"	61.952376
"258393"	680.097768	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+ACN+Na"	64.015768
"1227822"	372.056768	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+ACN+Na"	64.015768
"1716342"	372.080293	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+NH4+HCOOH"	64.039293
"1179266"	125.669551333333	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+3Na"	68.967654
"1650738"	377.035688	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Na+HCOOH"	68.994688
"157599"	693.00104	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+2K-H"	76.91904
"598252"	1001.04204	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+2K-H"	76.91904
"1084592"	384.96004	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2K-H"	76.91904
"141892"	347.004158	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"2M+2K"	77.926316
"588027"	501.024658	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"3M+2K"	77.926316
"1071444"	192.983658	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2K"	77.926316
"1107935"	386.974592	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2K+H"	78.933592
"1344319"	387.062207	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+DMSO+H"	79.021207
"1015770"	391.101376	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2ACN+H"	83.060376
"1535353"	392.095008	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+IsoProp+Na+H"	84.054008
"1002897"	196.054326	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+2ACN+2H"	84.067652
"1600680"	393.009628	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+K+HCOOH"	84.968628
"1421965"	423.041138	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+H+CF3COOH"	115.000138
"1151160"	216.567601	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+3ACN+2H"	125.094202
"1698524"	440.067685	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+NH4+CF3COOH"	132.026685
"1636362"	445.02308	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+Na+CF3COOH"	136.98208
"1580763"	460.99702	"C00365"	"dUMP;Deoxyuridylic acid;Deoxyuridine monophosphate;Deoxyuridine 5-phosphate;2-Deoxyuridine 5-phosphate"	"C9H13N2O8P"	"308.041"	"M+K+CF3COOH"	152.95602
"811128"	168.0283	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M"	0
"979192"	149.00991	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-H2O-H"	-19.01839
"66340"	111.011590666667	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M-3H"	-3.021828
"506992"	167.021024	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M-3H"	-3.021828
"880786"	55.0021573333333	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-3H"	-3.021828
"6655"	167.021024	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M-2H"	-2.014552
"444030"	251.035174	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M-2H"	-2.014552
"817453"	83.006874	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-2H"	-2.014552
"80725"	335.049324	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M-H"	-1.007276
"524660"	503.077624	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M-H"	-1.007276
"906836"	167.021024	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-H"	-1.007276
"48087"	352.075871	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M-2H+NH4"	16.019271
"489108"	520.104171	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M-2H+NH4"	16.019271
"864965"	184.047571	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-2H+NH4"	16.019271
"32622"	357.031266	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M-2H+Na"	20.974666
"474014"	525.059566	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M-2H+Na"	20.974666
"849751"	189.002966	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-2H+Na"	20.974666
"1620009"	189.002966	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Na-2H"	20.974666
"96173"	185.009363	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M-H+Cl"	33.962126
"536346"	269.023513	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M-H+Cl"	33.962126
"928403"	100.995213	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-H+Cl"	33.962126
"270607"	371.026002	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+Cl"	34.969402
"664122"	539.054302	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+Cl"	34.969402
"1276527"	202.997702	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Cl"	34.969402
"17988"	373.005206	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M-2H+K"	36.948606
"456165"	541.033506	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M-2H+K"	36.948606
"835711"	204.976906	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-2H+K"	36.948606
"1558843"	204.976906	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+K-2H"	36.948606
"943441"	213.026494	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-H+HCOOH"	44.998194
"361659"	381.054801	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+HCOOH-H"	44.998201
"358305"	395.070451	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+Hac-H"	59.013851
"1505680"	227.042151	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Hac-H"	59.013851
"971398"	235.008451	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-H+NaCOOH"	66.980151
"118482"	202.997702	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+2Cl"	69.938804
"564931"	287.011852	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+2Cl"	69.938804
"1035227"	118.983552	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2Cl"	69.938804
"1252981"	246.947185	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Br"	78.918885
"1309964"	249.003172	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Cl+HCOOH"	80.974872
"1328551"	270.985129	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Cl+NaCOOH"	102.956829
"916695"	281.013886	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M-H+CF3COOH"	112.985586
"1293039"	316.990564	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Cl+CF3COOH"	148.962264
"1368283"	133.015624	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H-2H2O"	-35.012676
"1383594"	151.0256	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H-H2O"	-17.0027
"287294"	337.063876	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+H"	1.007276
"679716"	505.092176	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+H"	1.007276
"1358256"	169.035576	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H"	1.007276
"128963"	169.035576	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+2H"	2.014552
"569616"	253.049726	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+2H"	2.014552
"1044976"	85.021426	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2H"	2.014552
"215065"	113.026142666667	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+3H"	3.021828
"654260"	169.035576	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+3H"	3.021828
"1178225"	57.0167093333333	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+3H"	3.021828
"437848"	354.090423	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+NH4"	18.033823
"800670"	522.118723	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+NH4"	18.033823
"1693716"	186.062123	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+NH4"	18.033823
"340536"	177.5488495	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+H+NH4"	19.041099
"728583"	261.5629995	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+H+NH4"	19.041099
"1483505"	93.5346995	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H+NH4"	19.041099
"402188"	359.045818	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+Na"	22.989218
"763182"	527.074118	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+Na"	22.989218
"1606906"	191.017518	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Na"	22.989218
"314991"	180.026547	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+H+Na"	23.996494
"708506"	264.040697	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+H+Na"	23.996494
"1464637"	96.012397	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H+Na"	23.996494
"1056789"	64.3440233333333	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2H+Na"	25.00377
"1257854"	201.061786	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+CH3OH+H"	33.033486
"378128"	375.019758	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+K"	38.963158
"739286"	543.048058	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+K"	38.963158
"1540366"	206.991458	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+K"	38.963158
"299449"	188.013517	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+H+K"	39.970434
"692602"	272.027667	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+H+K"	39.970434
"1447150"	103.999367	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H+K"	39.970434
"236481"	378.090426	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+ACN+H"	42.033826
"1210195"	210.062126	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+ACN+H"	42.033826
"1194650"	105.534701	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+ACN+2H"	43.041102
"196530"	381.02776	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+2Na-H"	44.97116
"636091"	549.05606	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+2Na-H"	44.97116
"1137406"	212.99946	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2Na-H"	44.97116
"175593"	191.017518	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+2Na"	45.978436
"616248"	275.031668	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+2Na"	45.978436
"1119392"	107.003368	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2Na"	45.978436
"1405103"	71.6713373333333	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H+2Na"	46.985712
"1431628"	215.041046	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H+HCOOH"	47.012746
"222536"	196.05054	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+3H2O+2H"	56.04448
"1510598"	229.09309	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+IsoProp+H"	61.06479
"412108"	199.004488	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+Na+K"	61.952376
"774196"	283.018638	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+Na+K"	61.952376
"1670163"	114.990338	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Na+K"	61.952376
"256317"	400.072368	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+ACN+Na"	64.015768
"1228659"	232.044068	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+ACN+Na"	64.015768
"1714264"	232.067593	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+NH4+HCOOH"	64.039293
"1178807"	78.9986513333333	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+3Na"	68.967654
"1650725"	237.022988	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Na+HCOOH"	68.994688
"157342"	412.97564	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+2K-H"	76.91904
"597512"	581.00394	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+2K-H"	76.91904
"1084267"	244.94734	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2K-H"	76.91904
"141760"	206.991458	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"2M+2K"	77.926316
"588137"	291.005608	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"3M+2K"	77.926316
"1070337"	122.977308	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2K"	77.926316
"1108045"	246.961892	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2K+H"	78.933592
"1344429"	247.049507	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+DMSO+H"	79.021207
"1018432"	251.088676	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2ACN+H"	83.060376
"1535463"	252.082308	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+IsoProp+Na+H"	84.054008
"1005195"	126.047976	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+2ACN+2H"	84.067652
"1599697"	252.996928	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+K+HCOOH"	84.968628
"1423169"	283.028438	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+H+CF3COOH"	115.000138
"1152363"	146.561251	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+3ACN+2H"	125.094202
"1697540"	300.054985	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+NH4+CF3COOH"	132.026685
"1636472"	305.01038	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+Na+CF3COOH"	136.98208
"1580873"	320.98432	"C00366"	"Urate;Uric acid"	"C5H4N4O3"	"168.0283"	"M+K+CF3COOH"	152.95602
"805771"	248.214	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M"	0
"978211"	229.19561	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-H2O-H"	-19.01839
"64264"	164.468724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M-3H"	-3.021828
"503053"	247.206724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M-3H"	-3.021828
"880098"	81.730724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-3H"	-3.021828
"362"	247.206724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M-2H"	-2.014552
"440854"	371.313724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M-2H"	-2.014552
"817682"	123.099724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-2H"	-2.014552
"79741"	495.420724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M-H"	-1.007276
"519176"	743.634724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M-H"	-1.007276
"897471"	247.206724	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-H"	-1.007276
"47346"	512.447271	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M-2H+NH4"	16.019271
"487352"	760.661271	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M-2H+NH4"	16.019271
"867760"	264.233271	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-2H+NH4"	16.019271
"35661"	517.402666	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M-2H+Na"	20.974666
"474127"	765.616666	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M-2H+Na"	20.974666
"850106"	269.188666	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-2H+Na"	20.974666
"1620366"	269.188666	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Na-2H"	20.974666
"95797"	265.195063	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M-H+Cl"	33.962126
"535720"	389.302063	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M-H+Cl"	33.962126
"932163"	141.088063	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-H+Cl"	33.962126
"269626"	531.397402	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+Cl"	34.969402
"663141"	779.611402	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+Cl"	34.969402
"1285387"	283.183402	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Cl"	34.969402
"19195"	533.376606	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M-2H+K"	36.948606
"458758"	781.590606	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M-2H+K"	36.948606
"846768"	285.162606	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-2H+K"	36.948606
"1568798"	285.162606	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+K-2H"	36.948606
"956323"	293.212194	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-H+HCOOH"	44.998194
"376527"	541.426201	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+HCOOH-H"	44.998201
"361283"	555.441851	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+Hac-H"	59.013851
"1507253"	307.227851	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Hac-H"	59.013851
"972241"	315.194151	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-H+NaCOOH"	66.980151
"119689"	283.183402	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+2Cl"	69.938804
"552690"	407.290402	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+2Cl"	69.938804
"1026954"	159.076402	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2Cl"	69.938804
"1245438"	327.132885	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Br"	78.918885
"1305698"	329.188872	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Cl+HCOOH"	80.974872
"1321375"	351.170829	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Cl+NaCOOH"	102.956829
"912068"	361.199586	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M-H+CF3COOH"	112.985586
"1288812"	397.176264	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Cl+CF3COOH"	148.962264
"1367418"	213.201324	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H-2H2O"	-35.012676
"1383461"	231.2113	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H-H2O"	-17.0027
"288506"	497.435276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+H"	1.007276
"682022"	745.649276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+H"	1.007276
"1357272"	249.221276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H"	1.007276
"135271"	249.221276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+2H"	2.014552
"574101"	373.328276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+2H"	2.014552
"1046182"	125.114276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2H"	2.014552
"210801"	166.483276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+3H"	3.021828
"655102"	249.221276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+3H"	3.021828
"1174685"	83.745276	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+3H"	3.021828
"431762"	514.461823	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+NH4"	18.033823
"795674"	762.675823	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+NH4"	18.033823
"1685810"	266.247823	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+NH4"	18.033823
"338469"	257.7345495	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+H+NH4"	19.041099
"734173"	381.8415495	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+H+NH4"	19.041099
"1489087"	133.6275495	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H+NH4"	19.041099
"396831"	519.417218	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+Na"	22.989218
"758919"	767.631218	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+Na"	22.989218
"1604829"	271.203218	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Na"	22.989218
"316684"	260.212247	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+H+Na"	23.996494
"708253"	384.319247	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+H+Na"	23.996494
"1461458"	136.105247	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H+Na"	23.996494
"1054347"	91.07259	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2H+Na"	25.00377
"1257047"	281.247486	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+CH3OH+H"	33.033486
"381527"	535.391158	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+K"	38.963158
"744346"	783.605158	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+K"	38.963158
"1543851"	287.177158	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+K"	38.963158
"302481"	268.199217	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+H+K"	39.970434
"695996"	392.306217	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+H+K"	39.970434
"1446087"	144.092217	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H+K"	39.970434
"236958"	538.461826	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+ACN+H"	42.033826
"1219890"	290.247826	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+ACN+H"	42.033826
"1203773"	145.627551	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+ACN+2H"	43.041102
"194456"	541.39916	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+2Na-H"	44.97116
"630127"	789.61316	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+2Na-H"	44.97116
"1133026"	293.18516	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2Na-H"	44.97116
"174375"	271.203218	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+2Na"	45.978436
"614053"	395.310218	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+2Na"	45.978436
"1116707"	147.096218	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2Na"	45.978436
"1399750"	98.399904	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H+2Na"	46.985712
"1430772"	295.226746	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H+HCOOH"	47.012746
"221560"	276.23624	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+3H2O+2H"	56.04448
"1510716"	309.27879	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+IsoProp+H"	61.06479
"409672"	279.190188	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+Na+K"	61.952376
"772483"	403.297188	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+Na+K"	61.952376
"1667356"	155.083188	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Na+K"	61.952376
"252053"	560.443768	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+ACN+Na"	64.015768
"1226586"	312.229768	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+ACN+Na"	64.015768
"1712946"	312.253293	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+NH4+HCOOH"	64.039293
"1178746"	105.727218	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+3Na"	68.967654
"1651450"	317.208688	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Na+HCOOH"	68.994688
"158074"	573.34704	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+2K-H"	76.91904
"601889"	821.56104	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+2K-H"	76.91904
"1096977"	325.13304	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2K-H"	76.91904
"150875"	287.177158	"C00370"	"Sterol"	"C17H28O"	"248.214"	"2M+2K"	77.926316
"590434"	411.284158	"C00370"	"Sterol"	"C17H28O"	"248.214"	"3M+2K"	77.926316
"1077135"	163.070158	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2K"	77.926316
"1114968"	327.147592	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2K+H"	78.933592
"1348919"	327.235207	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+DMSO+H"	79.021207
"1020375"	331.274376	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2ACN+H"	83.060376
"1539594"	332.268008	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+IsoProp+Na+H"	84.054008
"1005193"	166.140826	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+2ACN+2H"	84.067652
"1600905"	333.182628	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+K+HCOOH"	84.968628
"1427657"	363.214138	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+H+CF3COOH"	115.000138
"1161955"	186.654101	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+3ACN+2H"	125.094202
"1708589"	380.240685	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+NH4+CF3COOH"	132.026685
"1649346"	385.19608	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+Na+CF3COOH"	136.98208
"1580985"	401.17002	"C00370"	"Sterol"	"C17H28O"	"248.214"	"M+K+CF3COOH"	152.95602
"802965"	219.112	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M"	0
"981601"	200.09361	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-H2O-H"	-19.01839
"68748"	145.067390666667	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M-3H"	-3.021828
"505032"	218.104724	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M-3H"	-3.021828
"885020"	72.0300573333333	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-3H"	-3.021828
"474"	218.104724	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M-2H"	-2.014552
"440967"	327.660724	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M-2H"	-2.014552
"819131"	108.548724	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-2H"	-2.014552
"83133"	437.216724	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M-H"	-1.007276
"520503"	656.328724	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M-H"	-1.007276
"897217"	218.104724	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-H"	-1.007276
"49404"	454.243271	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M-2H+NH4"	16.019271
"488111"	673.355271	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M-2H+NH4"	16.019271
"870422"	235.131271	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-2H+NH4"	16.019271
"36500"	459.198666	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M-2H+Na"	20.974666
"476061"	678.310666	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M-2H+Na"	20.974666
"851674"	240.086666	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-2H+Na"	20.974666
"1621205"	240.086666	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Na-2H"	20.974666
"95544"	236.093063	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M-H+Cl"	33.962126
"536925"	345.649063	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M-H+Cl"	33.962126
"930086"	126.537063	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-H+Cl"	33.962126
"269736"	473.193402	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+Cl"	34.969402
"664344"	692.305402	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+Cl"	34.969402
"1282216"	254.081402	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Cl"	34.969402
"20398"	475.172606	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M-2H+K"	36.948606
"456720"	694.284606	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M-2H+K"	36.948606
"847242"	256.060606	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-2H+K"	36.948606
"1570817"	256.060606	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+K-2H"	36.948606
"957893"	264.110194	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-H+HCOOH"	44.998194
"376353"	483.222201	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+HCOOH-H"	44.998201
"361372"	497.237851	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+Hac-H"	59.013851
"1507363"	278.125851	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Hac-H"	59.013851
"973488"	286.092151	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-H+NaCOOH"	66.980151
"122715"	254.081402	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+2Cl"	69.938804
"560453"	363.637402	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+2Cl"	69.938804
"1035812"	144.525402	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2Cl"	69.938804
"1245547"	298.030885	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Br"	78.918885
"1305808"	300.086872	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Cl+HCOOH"	80.974872
"1322214"	322.068829	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Cl+NaCOOH"	102.956829
"912178"	332.097586	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M-H+CF3COOH"	112.985586
"1288556"	368.074264	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Cl+CF3COOH"	148.962264
"1368505"	184.099324	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H-2H2O"	-35.012676
"1383451"	202.1093	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H-H2O"	-17.0027
"288616"	439.231276	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+H"	1.007276
"682126"	658.343276	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+H"	1.007276
"1353375"	220.119276	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H"	1.007276
"134652"	220.119276	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+2H"	2.014552
"574941"	329.675276	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+2H"	2.014552
"1044106"	110.563276	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2H"	2.014552
"207631"	147.081942666667	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+3H"	3.021828
"655212"	220.119276	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+3H"	3.021828
"1174431"	74.0446093333333	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+3H"	3.021828
"434059"	456.257823	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+NH4"	18.033823
"792868"	675.369823	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+NH4"	18.033823
"1687013"	237.145823	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+NH4"	18.033823
"330316"	228.6325495	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+H+NH4"	19.041099
"731003"	338.1885495	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+H+NH4"	19.041099
"1480449"	119.0765495	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H+NH4"	19.041099
"396941"	461.213218	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+Na"	22.989218
"755748"	680.325218	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+Na"	22.989218
"1603843"	242.101218	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Na"	22.989218
"314606"	231.110247	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+H+Na"	23.996494
"709213"	340.666247	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+H+Na"	23.996494
"1464494"	121.554247	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H+Na"	23.996494
"1055552"	81.3719233333333	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2H+Na"	25.00377
"1259053"	252.145486	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+CH3OH+H"	33.033486
"380180"	477.187158	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+K"	38.963158
"741539"	696.299158	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+K"	38.963158
"1543231"	258.075158	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+K"	38.963158
"300403"	239.097217	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+H+K"	39.970434
"692826"	348.653217	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+H+K"	39.970434
"1445721"	129.541217	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H+K"	39.970434
"235973"	480.257826	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+ACN+H"	42.033826
"1218907"	261.145826	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+ACN+H"	42.033826
"1203883"	131.076551	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+ACN+2H"	43.041102
"197846"	483.19516	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+2Na-H"	44.97116
"630481"	702.30716	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+2Na-H"	44.97116
"1133015"	264.08316	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2Na-H"	44.97116
"174728"	242.101218	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+2Na"	45.978436
"615017"	351.657218	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+2Na"	45.978436
"1117428"	132.545218	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2Na"	45.978436
"1400953"	88.6992373333333	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H+2Na"	46.985712
"1430066"	266.124746	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H+HCOOH"	47.012746
"220694"	247.13424	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+3H2O+2H"	56.04448
"1512282"	280.17679	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+IsoProp+H"	61.06479
"409053"	250.088188	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+Na+K"	61.952376
"771865"	359.644188	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+Na+K"	61.952376
"1668198"	140.532188	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Na+K"	61.952376
"252891"	502.239768	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+ACN+Na"	64.015768
"1228154"	283.127768	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+ACN+Na"	64.015768
"1712904"	283.151293	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+NH4+HCOOH"	64.039293
"1178562"	96.0265513333333	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+3Na"	68.967654
"1651198"	288.106688	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Na+HCOOH"	68.994688
"159522"	515.14304	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+2K-H"	76.91904
"599447"	734.25504	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+2K-H"	76.91904
"1096358"	296.03104	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2K-H"	76.91904
"149892"	258.075158	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"2M+2K"	77.926316
"588358"	367.631158	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"3M+2K"	77.926316
"1077246"	148.519158	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2K"	77.926316
"1113376"	298.045592	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2K+H"	78.933592
"1347936"	298.133207	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+DMSO+H"	79.021207
"1018663"	302.172376	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2ACN+H"	83.060376
"1538975"	303.166008	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+IsoProp+Na+H"	84.054008
"1005380"	151.589826	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+2ACN+2H"	84.067652
"1601015"	304.080628	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+K+HCOOH"	84.968628
"1425581"	334.112138	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+H+CF3COOH"	115.000138
"1159150"	172.103101	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+3ACN+2H"	125.094202
"1708699"	351.138685	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+NH4+CF3COOH"	132.026685
"1649458"	356.09408	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+Na+CF3COOH"	136.98208
"1581095"	372.06802	"C00371"	"Zeatin;N6-(4-Hydroxyisopentenyl)adenine;(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;trans-Zeatin"	"C10H13N5O"	"219.112"	"M+K+CF3COOH"	152.95602
"802715"	284.214	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M"	0
"974910"	265.19561	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"63755"	188.468724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"503560"	283.206724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"880389"	93.730724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"785"	283.206724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"440220"	425.313724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"821069"	141.099724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"82882"	567.420724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"520371"	851.634724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"903900"	283.206724	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-H"	-1.007276
"58647"	584.447271	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"499303"	868.661271	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"876740"	300.233271	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"45002"	589.402666	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"477634"	873.616666	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"853246"	305.188666	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1621688"	305.188666	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"95056"	301.195063	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"537776"	443.302063	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"931291"	159.088063	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"270215"	603.397402	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"667737"	887.611402	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1277955"	319.183402	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"20513"	605.376606	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"470164"	889.590606	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"847360"	321.162606	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1570727"	321.162606	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"957518"	329.212194	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"376629"	613.426201	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"360948"	627.441851	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1506013"	343.227851	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"971368"	351.194151	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"115534"	319.183402	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"552908"	461.290402	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1026081"	177.076402	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1243472"	363.132885	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1304230"	365.188872	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1324517"	387.170829	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"915572"	397.199586	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1290459"	433.176264	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1378832"	249.201324	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1392318"	267.2113	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"294924"	569.435276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+H"	1.007276
"687711"	853.649276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1361878"	285.221276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H"	1.007276
"139142"	285.221276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"580040"	427.328276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1048593"	143.114276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2H"	2.014552
"213943"	190.483276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"652774"	285.221276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1173823"	95.745276	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+3H"	3.021828
"434178"	586.461823	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"789704"	870.675823	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1694789"	302.247823	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"330507"	293.7345495	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"723490"	435.8415495	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1481650"	151.6275495	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"397051"	591.417218	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"755980"	875.631218	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1608332"	307.203218	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Na"	22.989218
"317275"	296.212247	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"710792"	438.319247	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1463518"	154.105247	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1055672"	103.07259	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1259535"	317.247486	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"377506"	607.391158	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+K"	38.963158
"739224"	891.605158	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1541520"	323.177158	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+K"	38.963158
"312197"	304.199217	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"702428"	446.306217	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1460265"	162.092217	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"248866"	610.461826	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1222666"	326.247826	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1204729"	163.627551	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"198690"	613.39916	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"638618"	897.61316	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1142122"	329.18516	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"179943"	307.203218	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"620599"	449.310218	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1119731"	165.096218	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1399040"	110.399904	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1430995"	331.226746	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"220314"	312.23624	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1511300"	345.27879	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"408917"	315.190188	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"770521"	457.297188	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1666484"	173.083188	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"252272"	632.443768	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1226075"	348.229768	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1714963"	348.253293	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1191270"	117.727218	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1661160"	353.208688	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"171308"	645.34704	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"612450"	929.56104	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1097563"	361.13304	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"156084"	323.177158	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"596382"	465.284158	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1083445"	181.070158	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1113495"	363.147592	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1350608"	363.235207	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1017678"	367.274376	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1537993"	368.268008	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"1004440"	184.140826	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1601127"	369.182628	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1428975"	399.214138	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1160725"	204.654101	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1711248"	416.240685	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1649566"	421.19608	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1577928"	437.17002	"C00376"	"Retinal;Vitamin A aldehyde;Retinene;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"805013"	265.1123	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M"	0
"979637"	246.09391	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-H2O-H"	-19.01839
"63507"	175.734257333333	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M-3H"	-3.021828
"503796"	264.105024	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M-3H"	-3.021828
"883053"	87.3634906666667	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-3H"	-3.021828
"2724"	264.105024	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M-2H"	-2.014552
"443742"	396.661174	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M-2H"	-2.014552
"818991"	131.548874	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-2H"	-2.014552
"80076"	529.217324	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M-H"	-1.007276
"531681"	794.329624	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M-H"	-1.007276
"908756"	264.105024	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-H"	-1.007276
"59485"	546.243871	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M-2H+NH4"	16.019271
"496860"	811.356171	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M-2H+NH4"	16.019271
"878668"	281.131571	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-2H+NH4"	16.019271
"45474"	551.199266	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M-2H+Na"	20.974666
"482116"	816.311566	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M-2H+Na"	20.974666
"853357"	286.086966	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-2H+Na"	20.974666
"1619609"	286.086966	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Na-2H"	20.974666
"98325"	282.093363	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M-H+Cl"	33.962126
"537884"	414.649513	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M-H+Cl"	33.962126
"931399"	149.537213	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-H+Cl"	33.962126
"269231"	565.194002	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+Cl"	34.969402
"663106"	830.306302	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+Cl"	34.969402
"1275150"	300.081702	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Cl"	34.969402
"29013"	567.173206	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M-2H+K"	36.948606
"470399"	832.285506	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M-2H+K"	36.948606
"848085"	302.060906	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-2H+K"	36.948606
"1569497"	302.060906	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+K-2H"	36.948606
"957993"	310.110494	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-H+HCOOH"	44.998194
"376910"	575.222801	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+HCOOH-H"	44.998201
"359963"	589.238451	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+Hac-H"	59.013851
"1508356"	324.126151	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Hac-H"	59.013851
"974073"	332.092451	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-H+NaCOOH"	66.980151
"113458"	300.081702	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+2Cl"	69.938804
"554112"	432.637852	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+2Cl"	69.938804
"1025101"	167.525552	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2Cl"	69.938804
"1243946"	344.031185	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Br"	78.918885
"1310409"	346.087172	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Cl+HCOOH"	80.974872
"1327906"	368.069129	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Cl+NaCOOH"	102.956829
"922977"	378.097886	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M-H+CF3COOH"	112.985586
"1300779"	414.074564	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Cl+CF3COOH"	148.962264
"1378942"	230.099624	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H-2H2O"	-35.012676
"1393528"	248.1096	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H-H2O"	-17.0027
"291027"	531.231876	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+H"	1.007276
"686367"	796.344176	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+H"	1.007276
"1361986"	266.119576	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H"	1.007276
"135968"	266.119576	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+2H"	2.014552
"578445"	398.675726	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+2H"	2.014552
"1046149"	133.563426	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2H"	2.014552
"212230"	177.748809333333	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+3H"	3.021828
"655810"	266.119576	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+3H"	3.021828
"1175027"	89.3780426666667	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+3H"	3.021828
"431007"	548.258423	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+NH4"	18.033823
"787628"	813.370723	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+NH4"	18.033823
"1694897"	283.146123	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+NH4"	18.033823
"342081"	274.6328495	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+H+NH4"	19.041099
"734503"	407.1889995	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+H+NH4"	19.041099
"1487230"	142.0766995	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H+NH4"	19.041099
"400441"	553.213818	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+Na"	22.989218
"760342"	818.326118	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+Na"	22.989218
"1604306"	288.101518	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Na"	22.989218
"316292"	277.110547	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+H+Na"	23.996494
"711995"	409.666697	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+H+Na"	23.996494
"1464720"	144.554397	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H+Na"	23.996494
"1057968"	96.7053566666667	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2H+Na"	25.00377
"1261831"	298.145786	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+CH3OH+H"	33.033486
"380406"	569.187758	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+K"	38.963158
"740671"	834.300058	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+K"	38.963158
"1552950"	304.075458	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+K"	38.963158
"313729"	285.097517	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+H+K"	39.970434
"705701"	417.653667	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+H+K"	39.970434
"1458919"	152.541367	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H+K"	39.970434
"247155"	572.258426	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+ACN+H"	42.033826
"1221684"	307.146126	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+ACN+H"	42.033826
"1205202"	154.076701	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+ACN+2H"	43.041102
"199164"	575.19576	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+2Na-H"	44.97116
"639818"	840.30806	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+2Na-H"	44.97116
"1138949"	310.08346	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2Na-H"	44.97116
"184428"	288.101518	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+2Na"	45.978436
"622895"	420.657668	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+2Na"	45.978436
"1122028"	155.545368	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2Na"	45.978436
"1407736"	104.032670666667	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H+2Na"	46.985712
"1436572"	312.125046	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H+HCOOH"	47.012746
"220351"	293.13454	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+3H2O+2H"	56.04448
"1509221"	326.17709	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+IsoProp+H"	61.06479
"411827"	296.088488	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+Na+K"	61.952376
"771364"	428.644638	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+Na+K"	61.952376
"1666593"	163.532338	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Na+K"	61.952376
"254579"	594.240368	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+ACN+Na"	64.015768
"1226309"	329.128068	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+ACN+Na"	64.015768
"1726752"	329.151593	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+NH4+HCOOH"	64.039293
"1191746"	111.359984666667	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+3Na"	68.967654
"1663463"	334.106988	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Na+HCOOH"	68.994688
"172149"	607.14364	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+2K-H"	76.91904
"609884"	872.25594	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+2K-H"	76.91904
"1095490"	342.03134	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2K-H"	76.91904
"155595"	304.075458	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"2M+2K"	77.926316
"594789"	436.631608	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"3M+2K"	77.926316
"1082220"	171.519308	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2K"	77.926316
"1113241"	344.045892	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2K+H"	78.933592
"1350350"	344.133507	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+DMSO+H"	79.021207
"1020462"	348.172676	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2ACN+H"	83.060376
"1538829"	349.166308	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+IsoProp+Na+H"	84.054008
"1003821"	174.589976	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+2ACN+2H"	84.067652
"1601236"	350.080928	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+K+HCOOH"	84.968628
"1425808"	380.112438	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+H+CF3COOH"	115.000138
"1160107"	195.103251	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+3ACN+2H"	125.094202
"1711110"	397.138985	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+NH4+CF3COOH"	132.026685
"1649195"	402.09438	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+Na+CF3COOH"	136.98208
"1581320"	418.06832	"C00378"	"Thiamine;Thiamin;Vitamin B1;Aneurin;Antiberiberi factor"	"C12H17N4OS"	"265.1123"	"M+K+CF3COOH"	152.95602
"802207"	152.0685	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M"	0
"975736"	133.05011	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-H2O-H"	-19.01839
"64341"	100.371724	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M-3H"	-3.021828
"504996"	151.061224	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M-3H"	-3.021828
"881458"	49.682224	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-3H"	-3.021828
"2105"	151.061224	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M-2H"	-2.014552
"442395"	227.095474	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M-2H"	-2.014552
"819100"	75.026974	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-2H"	-2.014552
"80915"	303.129724	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M-H"	-1.007276
"532642"	455.198224	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M-H"	-1.007276
"909468"	151.061224	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-H"	-1.007276
"60688"	320.156271	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M-2H+NH4"	16.019271
"500858"	472.224771	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M-2H+NH4"	16.019271
"879508"	168.087771	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-2H+NH4"	16.019271
"44855"	325.111666	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M-2H+Na"	20.974666
"482226"	477.180166	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M-2H+Na"	20.974666
"853467"	173.043166	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-2H+Na"	20.974666
"1624091"	173.043166	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Na-2H"	20.974666
"100621"	169.049563	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M-H+Cl"	33.962126
"540180"	245.083813	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M-H+Cl"	33.962126
"934788"	93.015313	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-H+Cl"	33.962126
"270069"	339.106402	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+Cl"	34.969402
"666860"	491.174902	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+Cl"	34.969402
"1275260"	187.037902	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Cl"	34.969402
"29124"	341.085606	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M-2H+K"	36.948606
"469416"	493.154106	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M-2H+K"	36.948606
"847831"	189.017106	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-2H+K"	36.948606
"1570336"	189.017106	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+K-2H"	36.948606
"958228"	197.066694	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-H+HCOOH"	44.998194
"376799"	349.135201	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+HCOOH-H"	44.998201
"359951"	363.150851	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+Hac-H"	59.013851
"1508387"	211.082351	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Hac-H"	59.013851
"974021"	219.048651	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-H+NaCOOH"	66.980151
"114661"	187.037902	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+2Cl"	69.938804
"555314"	263.072152	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+2Cl"	69.938804
"1025211"	111.003652	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2Cl"	69.938804
"1243327"	230.987385	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Br"	78.918885
"1310519"	233.043372	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Cl+HCOOH"	80.974872
"1330202"	255.025329	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Cl+NaCOOH"	102.956829
"921629"	265.054086	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M-H+CF3COOH"	112.985586
"1299796"	301.030764	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Cl+CF3COOH"	148.962264
"1377229"	117.055824	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H-2H2O"	-35.012676
"1394367"	135.0658	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H-H2O"	-17.0027
"291866"	305.144276	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+H"	1.007276
"689027"	457.212776	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+H"	1.007276
"1365012"	153.075776	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H"	1.007276
"137535"	153.075776	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+2H"	2.014552
"580377"	229.110026	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+2H"	2.014552
"1047716"	77.041526	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2H"	2.014552
"211976"	102.386276	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+3H"	3.021828
"654097"	153.075776	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+3H"	3.021828
"1172218"	51.696776	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+3H"	3.021828
"425891"	322.170823	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+NH4"	18.033823
"793204"	474.239323	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+NH4"	18.033823
"1682977"	170.102323	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+NH4"	18.033823
"330070"	161.5890495	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+H+NH4"	19.041099
"723432"	237.6232995	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+H+NH4"	19.041099
"1479684"	85.5547995	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H+NH4"	19.041099
"397269"	327.126218	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+Na"	22.989218
"758263"	479.194718	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+Na"	22.989218
"1604539"	175.057718	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Na"	22.989218
"319681"	164.066747	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+H+Na"	23.996494
"712105"	240.100997	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+H+Na"	23.996494
"1465923"	88.032497	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H+Na"	23.996494
"1058078"	59.02409	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2H+Na"	25.00377
"1263034"	185.101986	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+CH3OH+H"	33.033486
"382702"	343.100158	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+K"	38.963158
"743332"	495.168658	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+K"	38.963158
"1555006"	191.031658	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+K"	38.963158
"309500"	172.053717	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+H+K"	39.970434
"706297"	248.087967	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+H+K"	39.970434
"1459027"	96.019467	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H+K"	39.970434
"247265"	346.170826	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+ACN+H"	42.033826
"1222159"	194.102326	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+ACN+H"	42.033826
"1206040"	97.554801	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+ACN+2H"	43.041102
"201464"	349.10816	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+2Na-H"	44.97116
"640657"	501.17666	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+2Na-H"	44.97116
"1143434"	197.03966	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2Na-H"	44.97116
"181258"	175.057718	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+2Na"	45.978436
"620818"	251.091968	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+2Na"	45.978436
"1124325"	99.023468	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2Na"	45.978436
"1407846"	66.351404	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H+2Na"	46.985712
"1437775"	199.081246	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H+HCOOH"	47.012746
"222002"	180.09074	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+3H2O+2H"	56.04448
"1510788"	213.13329	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+IsoProp+H"	61.06479
"411207"	183.044688	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+Na+K"	61.952376
"774025"	259.078938	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+Na+K"	61.952376
"1666704"	107.010438	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Na+K"	61.952376
"255053"	368.152768	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+ACN+Na"	64.015768
"1226303"	216.084268	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+ACN+Na"	64.015768
"1725405"	216.107793	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+NH4+HCOOH"	64.039293
"1190398"	73.678718	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+3Na"	68.967654
"1663573"	221.063188	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Na+HCOOH"	68.994688
"171895"	381.05604	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+2K-H"	76.91904
"612303"	533.12454	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+2K-H"	76.91904
"1096693"	228.98754	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2K-H"	76.91904
"155584"	191.031658	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"2M+2K"	77.926316
"596359"	267.065908	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"3M+2K"	77.926316
"1082572"	114.997408	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2K"	77.926316
"1113353"	231.002092	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2K+H"	78.933592
"1350339"	231.089707	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+DMSO+H"	79.021207
"1019966"	235.128876	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2ACN+H"	83.060376
"1538213"	236.122508	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+IsoProp+Na+H"	84.054008
"1003565"	118.068076	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+2ACN+2H"	84.067652
"1602076"	237.037128	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+K+HCOOH"	84.968628
"1427376"	267.068638	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+H+CF3COOH"	115.000138
"1160581"	138.581351	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+3ACN+2H"	125.094202
"1712071"	284.095185	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+NH4+CF3COOH"	132.026685
"1649305"	289.05058	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+Na+CF3COOH"	136.98208
"1581430"	305.02452	"C00379"	"Xylitol"	"C5H12O5"	"152.0685"	"M+K+CF3COOH"	152.95602
"808515"	111.0433	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M"	0
"977673"	92.02491	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-H2O-H"	-19.01839
"67008"	73.0215906666667	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M-3H"	-3.021828
"512037"	110.036024	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M-3H"	-3.021828
"881818"	36.0071573333333	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-3H"	-3.021828
"1972"	110.036024	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M-2H"	-2.014552
"441044"	165.557674	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M-2H"	-2.014552
"818848"	54.514374	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-2H"	-2.014552
"81394"	221.079324	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M-H"	-1.007276
"531179"	332.122624	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M-H"	-1.007276
"908614"	110.036024	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-H"	-1.007276
"61163"	238.105871	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M-2H+NH4"	16.019271
"499264"	349.149171	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M-2H+NH4"	16.019271
"870506"	127.062571	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-2H+NH4"	16.019271
"37312"	243.061266	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M-2H+Na"	20.974666
"484525"	354.104566	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M-2H+Na"	20.974666
"860141"	132.017966	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-2H+Na"	20.974666
"1627486"	132.017966	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Na-2H"	20.974666
"104014"	128.024363	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M-H+Cl"	33.962126
"541387"	183.546013	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M-H+Cl"	33.962126
"935995"	72.502713	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-H+Cl"	33.962126
"278930"	257.056002	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+Cl"	34.969402
"673538"	368.099302	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+Cl"	34.969402
"1282661"	146.012702	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Cl"	34.969402
"30687"	259.035206	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M-2H+K"	36.948606
"470617"	370.078506	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M-2H+K"	36.948606
"848319"	147.991906	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-2H+K"	36.948606
"1571289"	147.991906	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+K-2H"	36.948606
"958334"	156.041494	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-H+HCOOH"	44.998194
"375086"	267.084801	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+HCOOH-H"	44.998201
"359335"	281.100451	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+Hac-H"	59.013851
"1505614"	170.057151	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Hac-H"	59.013851
"973399"	178.023451	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-H+NaCOOH"	66.980151
"120243"	146.012702	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+2Cl"	69.938804
"554696"	201.534352	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+2Cl"	69.938804
"1032977"	90.491052	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2Cl"	69.938804
"1250368"	189.962185	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Br"	78.918885
"1317559"	192.018172	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Cl+HCOOH"	80.974872
"1329222"	214.000129	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Cl+NaCOOH"	102.956829
"921009"	224.028886	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M-H+CF3COOH"	112.985586
"1300271"	260.005564	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Cl+CF3COOH"	148.962264
"1372966"	76.030624	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H-2H2O"	-35.012676
"1391560"	94.0406	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H-H2O"	-17.0027
"292342"	223.093876	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+H"	1.007276
"689505"	334.137176	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+H"	1.007276
"1361843"	112.050576	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H"	1.007276
"135097"	112.050576	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+2H"	2.014552
"574294"	167.572226	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+2H"	2.014552
"1044548"	56.528926	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2H"	2.014552
"215002"	75.0361426666667	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+3H"	3.021828
"653113"	112.050576	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+3H"	3.021828
"1171237"	38.0217093333333	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+3H"	3.021828
"430134"	240.120423	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+NH4"	18.033823
"790037"	351.163723	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+NH4"	18.033823
"1682597"	129.077123	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+NH4"	18.033823
"331728"	120.5638495	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+H+NH4"	19.041099
"725972"	176.0854995	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+H+NH4"	19.041099
"1483073"	65.0421995	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H+NH4"	19.041099
"395191"	245.075818	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+Na"	22.989218
"755578"	356.119118	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+Na"	22.989218
"1604285"	134.032518	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Na"	22.989218
"321978"	123.041547	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+H+Na"	23.996494
"713308"	178.563197	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+H+Na"	23.996494
"1466033"	67.519897	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H+Na"	23.996494
"1059280"	45.3490233333333	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2H+Na"	25.00377
"1264240"	144.076786	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+CH3OH+H"	33.033486
"380626"	261.049758	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+K"	38.963158
"743808"	372.093058	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+K"	38.963158
"1555555"	150.006458	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+K"	38.963158
"312525"	131.028517	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+H+K"	39.970434
"706771"	186.550167	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+H+K"	39.970434
"1459137"	75.506867	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H+K"	39.970434
"249561"	264.120426	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+ACN+H"	42.033826
"1221539"	153.077126	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+ACN+H"	42.033826
"1205418"	77.042201	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+ACN+2H"	43.041102
"199385"	267.05776	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+2Na-H"	44.97116
"637852"	378.10106	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+2Na-H"	44.97116
"1142450"	156.01446	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2Na-H"	44.97116
"178088"	134.032518	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+2Na"	45.978436
"622021"	189.554168	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+2Na"	45.978436
"1122247"	78.510868	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2Na"	45.978436
"1403584"	52.6763373333333	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H+2Na"	46.985712
"1431689"	158.056046	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H+HCOOH"	47.012746
"225394"	139.06554	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+3H2O+2H"	56.04448
"1512360"	172.10809	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+IsoProp+H"	61.06479
"410589"	142.019488	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+Na+K"	61.952376
"774500"	197.541138	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+Na+K"	61.952376
"1666941"	86.497838	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Na+K"	61.952376
"254434"	286.102368	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+ACN+Na"	64.015768
"1232977"	175.059068	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+ACN+Na"	64.015768
"1722961"	175.082593	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+NH4+HCOOH"	64.039293
"1192572"	60.0036513333333	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+3Na"	68.967654
"1665181"	180.037988	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Na+HCOOH"	68.994688
"171635"	299.00564	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+2K-H"	76.91904
"612498"	410.04894	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+2K-H"	76.91904
"1097178"	187.96234	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2K-H"	76.91904
"155086"	150.006458	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"2M+2K"	77.926316
"594647"	205.528108	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"3M+2K"	77.926316
"1081347"	94.484808	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2K"	77.926316
"1113096"	189.976892	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2K+H"	78.933592
"1347295"	190.064507	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+DMSO+H"	79.021207
"1018010"	194.103676	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2ACN+H"	83.060376
"1535043"	195.097308	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+IsoProp+Na+H"	84.054008
"1002951"	97.555476	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+2ACN+2H"	84.067652
"1598911"	196.011928	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+K+HCOOH"	84.968628
"1427121"	226.043438	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+H+CF3COOH"	115.000138
"1160327"	118.068751	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+3ACN+2H"	125.094202
"1711335"	243.069985	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+NH4+CF3COOH"	132.026685
"1648807"	248.02538	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+Na+CF3COOH"	136.98208
"1581540"	263.99932	"C00380"	"Cytosine"	"C4H5N3O"	"111.0433"	"M+K+CF3COOH"	152.95602
"805344"	104.011	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M"	0
"975597"	84.99261	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-H2O-H"	-19.01839
"62861"	68.3333906666667	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M-3H"	-3.021828
"502828"	103.003724	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M-3H"	-3.021828
"886671"	33.6630573333333	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-3H"	-3.021828
"8"	103.003724	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M-2H"	-2.014552
"448087"	155.009224	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M-2H"	-2.014552
"829170"	50.998224	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-2H"	-2.014552
"92091"	207.014724	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M-H"	-1.007276
"528737"	311.025724	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M-H"	-1.007276
"909088"	103.003724	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-H"	-1.007276
"61398"	224.041271	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M-2H+NH4"	16.019271
"501563"	328.052271	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M-2H+NH4"	16.019271
"876083"	120.030271	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-2H+NH4"	16.019271
"41796"	228.996666	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M-2H+Na"	20.974666
"484638"	333.007666	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M-2H+Na"	20.974666
"861346"	124.985666	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-2H+Na"	20.974666
"1630877"	124.985666	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Na-2H"	20.974666
"104124"	120.992063	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M-H+Cl"	33.962126
"541498"	172.997563	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M-H+Cl"	33.962126
"939394"	68.986563	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-H+Cl"	33.962126
"280507"	242.991402	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+Cl"	34.969402
"673650"	347.002402	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+Cl"	34.969402
"1285696"	138.980402	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Cl"	34.969402
"31055"	244.970606	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M-2H+K"	36.948606
"471058"	348.981606	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M-2H+K"	36.948606
"844884"	140.959606	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-2H+K"	36.948606
"1566184"	140.959606	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+K-2H"	36.948606
"955160"	149.009194	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-H+HCOOH"	44.998194
"376295"	253.020201	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+HCOOH-H"	44.998201
"355072"	267.035851	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+Hac-H"	59.013851
"1500621"	163.024851	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Hac-H"	59.013851
"970349"	170.991151	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-H+NaCOOH"	66.980151
"121447"	138.980402	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+2Cl"	69.938804
"561010"	190.985902	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+2Cl"	69.938804
"1035643"	86.974902	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2Cl"	69.938804
"1256322"	182.929885	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Br"	78.918885
"1315848"	184.985872	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Cl+HCOOH"	80.974872
"1328243"	206.967829	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Cl+NaCOOH"	102.956829
"920395"	216.996586	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M-H+CF3COOH"	112.985586
"1297104"	252.973264	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Cl+CF3COOH"	148.962264
"1381469"	68.998324	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H-2H2O"	-35.012676
"1397875"	87.0083	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H-H2O"	-17.0027
"297200"	209.029276	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+H"	1.007276
"691320"	313.040276	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+H"	1.007276
"1366537"	105.018276	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H"	1.007276
"137395"	105.018276	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+2H"	2.014552
"575497"	157.023776	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+2H"	2.014552
"1042473"	53.012776	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2H"	2.014552
"210384"	70.3479426666667	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+3H"	3.021828
"653224"	105.018276	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+3H"	3.021828
"1174630"	35.6776093333333	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+3H"	3.021828
"433526"	226.055823	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+NH4"	18.033823
"798531"	330.066823	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+NH4"	18.033823
"1693040"	122.044823	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+NH4"	18.033823
"340224"	113.5315495	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+H+NH4"	19.041099
"727178"	165.5370495	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+H+NH4"	19.041099
"1477350"	61.5260495	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H+NH4"	19.041099
"395305"	231.011218	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+Na"	22.989218
"757393"	335.022218	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+Na"	22.989218
"1605858"	127.000218	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Na"	22.989218
"320998"	116.009247	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+H+Na"	23.996494
"710136"	168.014747	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+H+Na"	23.996494
"1462863"	64.003747	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H+Na"	23.996494
"1057201"	43.0049233333333	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2H+Na"	25.00377
"1261067"	137.044486	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+CH3OH+H"	33.033486
"378548"	246.985158	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+K"	38.963158
"749404"	350.996158	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+K"	38.963158
"1550362"	142.974158	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+K"	38.963158
"311907"	123.996217	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+H+K"	39.970434
"701053"	176.001717	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+H+K"	39.970434
"1454873"	71.990717	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H+K"	39.970434
"246753"	250.055826	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+ACN+H"	42.033826
"1217273"	146.044826	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+ACN+H"	42.033826
"1196781"	73.526051	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+ACN+2H"	43.041102
"189045"	252.99316	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+2Na-H"	44.97116
"628597"	357.00416	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+2Na-H"	44.97116
"1138187"	148.98216	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2Na-H"	44.97116
"181477"	127.000218	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+2Na"	45.978436
"615935"	179.005718	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+2Na"	45.978436
"1122357"	74.994718	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2Na"	45.978436
"1409161"	50.3322373333333	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H+2Na"	46.985712
"1432163"	151.023746	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H+HCOOH"	47.012746
"221129"	132.03324	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+3H2O+2H"	56.04448
"1509311"	165.07579	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+IsoProp+H"	61.06479
"409728"	134.987188	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+Na+K"	61.952376
"773154"	186.992688	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+Na+K"	61.952376
"1669118"	82.981688	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Na+K"	61.952376
"255638"	272.037768	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+ACN+Na"	64.015768
"1231995"	168.026768	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+ACN+Na"	64.015768
"1725261"	168.050293	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+NH4+HCOOH"	64.039293
"1193048"	57.6595513333333	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+3Na"	68.967654
"1665131"	173.005688	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Na+HCOOH"	68.994688
"172232"	284.94104	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+2K-H"	76.91904
"611802"	388.95204	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+2K-H"	76.91904
"1096560"	180.93004	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2K-H"	76.91904
"154106"	142.974158	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"2M+2K"	77.926316
"594029"	194.979658	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"3M+2K"	77.926316
"1082912"	90.968658	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2K"	77.926316
"1112111"	182.944592	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2K+H"	78.933592
"1344125"	183.032207	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+DMSO+H"	79.021207
"1015935"	187.071376	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2ACN+H"	83.060376
"1535152"	188.065008	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+IsoProp+Na+H"	84.054008
"1002694"	94.039326	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+2ACN+2H"	84.067652
"1601206"	188.979628	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+K+HCOOH"	84.968628
"1429051"	219.011138	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+H+CF3COOH"	115.000138
"1160797"	114.552601	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+3ACN+2H"	125.094202
"1701605"	236.037685	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+NH4+CF3COOH"	132.026685
"1647095"	240.99308	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+Na+CF3COOH"	136.98208
"1576183"	256.96702	"C00383"	"Malonate;Malonic acid;Propanedioic acid"	"C3H4O4"	"104.011"	"M+K+CF3COOH"	152.95602
"802176"	152.0334	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M"	0
"974607"	133.01501	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-H2O-H"	-19.01839
"63324"	100.348324	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M-3H"	-3.021828
"513354"	151.026124	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M-3H"	-3.021828
"881312"	49.670524	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-3H"	-3.021828
"4263"	151.026124	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M-2H"	-2.014552
"441999"	227.042824	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M-2H"	-2.014552
"828926"	75.009424	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-2H"	-2.014552
"91834"	303.059524	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M-H"	-1.007276
"522285"	455.092924	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M-H"	-1.007276
"900085"	151.026124	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-H"	-1.007276
"57740"	320.086071	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M-2H+NH4"	16.019271
"500945"	472.119471	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M-2H+NH4"	16.019271
"876192"	168.052671	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-2H+NH4"	16.019271
"33523"	325.041466	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M-2H+Na"	20.974666
"479280"	477.074866	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M-2H+Na"	20.974666
"854894"	173.008066	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-2H+Na"	20.974666
"1626615"	173.008066	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Na-2H"	20.974666
"104237"	169.014463	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M-H+Cl"	33.962126
"549561"	245.031163	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M-H+Cl"	33.962126
"942651"	92.997763	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-H+Cl"	33.962126
"282076"	339.036202	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+Cl"	34.969402
"674500"	491.069602	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+Cl"	34.969402
"1288292"	187.002802	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Cl"	34.969402
"31258"	341.015406	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M-2H+K"	36.948606
"470843"	493.048806	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M-2H+K"	36.948606
"848333"	188.982006	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-2H+K"	36.948606
"1571167"	188.982006	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+K-2H"	36.948606
"956735"	197.031594	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-H+HCOOH"	44.998194
"374585"	349.065001	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+HCOOH-H"	44.998201
"356276"	363.080651	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+Hac-H"	59.013851
"1502918"	211.047251	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Hac-H"	59.013851
"971559"	219.013551	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-H+NaCOOH"	66.980151
"124848"	187.002802	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+2Cl"	69.938804
"565141"	263.019502	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+2Cl"	69.938804
"1035399"	110.986102	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2Cl"	69.938804
"1256070"	230.952285	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Br"	78.918885
"1315233"	233.008272	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Cl+HCOOH"	80.974872
"1328356"	254.990229	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Cl+NaCOOH"	102.956829
"919416"	265.018986	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M-H+CF3COOH"	112.985586
"1303417"	300.995664	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Cl+CF3COOH"	148.962264
"1377200"	117.020724	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H-2H2O"	-35.012676
"1392873"	135.0307	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H-H2O"	-17.0027
"293290"	305.074076	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+H"	1.007276
"686084"	457.107476	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+H"	1.007276
"1363524"	153.040676	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H"	1.007276
"136413"	153.040676	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+2H"	2.014552
"578160"	229.057376	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+2H"	2.014552
"1049152"	77.023976	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2H"	2.014552
"212681"	102.362876	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+3H"	3.021828
"646773"	153.040676	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+3H"	3.021828
"1168178"	51.685076	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+3H"	3.021828
"433637"	322.100623	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+NH4"	18.033823
"791352"	474.134023	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+NH4"	18.033823
"1693150"	170.067223	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+NH4"	18.033823
"340334"	161.5539495	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+H+NH4"	19.041099
"727288"	237.5706495	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+H+NH4"	19.041099
"1478922"	85.5372495	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H+NH4"	19.041099
"397602"	327.056018	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+Na"	22.989218
"762972"	479.089418	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+Na"	22.989218
"1612164"	175.022618	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Na"	22.989218
"316733"	164.031647	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+H+Na"	23.996494
"709153"	240.048347	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+H+Na"	23.996494
"1465160"	88.014947	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H+Na"	23.996494
"1057678"	59.01239	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2H+Na"	25.00377
"1261177"	185.066886	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+CH3OH+H"	33.033486
"389612"	343.029958	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+K"	38.963158
"749514"	495.063358	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+K"	38.963158
"1552660"	190.996558	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+K"	38.963158
"309836"	172.018617	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+H+K"	39.970434
"696788"	248.035317	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+H+K"	39.970434
"1454981"	96.001917	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H+K"	39.970434
"243582"	346.100626	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+ACN+H"	42.033826
"1218478"	194.067226	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+ACN+H"	42.033826
"1199444"	97.537251	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+ACN+2H"	43.041102
"196324"	349.03796	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+2Na-H"	44.97116
"634791"	501.07136	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+2Na-H"	44.97116
"1141944"	197.00456	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2Na-H"	44.97116
"180496"	175.022618	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+2Na"	45.978436
"623338"	251.039318	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+2Na"	45.978436
"1125019"	99.005918	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2Na"	45.978436
"1406355"	66.339704	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H+2Na"	46.985712
"1430451"	199.046146	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H+HCOOH"	47.012746
"221239"	180.05564	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+3H2O+2H"	56.04448
"1511854"	213.09819	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+IsoProp+H"	61.06479
"409353"	183.009588	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+Na+K"	61.952376
"774724"	259.026288	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+Na+K"	61.952376
"1668135"	106.992888	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Na+K"	61.952376
"260493"	368.082568	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+ACN+Na"	64.015768
"1235390"	216.049168	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+ACN+Na"	64.015768
"1719902"	216.072693	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+NH4+HCOOH"	64.039293
"1193282"	73.667018	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+3Na"	68.967654
"1662810"	221.028088	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Na+HCOOH"	68.994688
"171866"	380.98584	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+2K-H"	76.91904
"603772"	533.01924	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+2K-H"	76.91904
"1096670"	228.95244	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2K-H"	76.91904
"148382"	190.996558	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"2M+2K"	77.926316
"592316"	267.013258	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"3M+2K"	77.926316
"1079014"	114.979858	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2K"	77.926316
"1108942"	230.966992	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2K+H"	78.933592
"1347515"	231.054607	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+DMSO+H"	79.021207
"1012764"	235.093776	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2ACN+H"	83.060376
"1535264"	236.087408	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+IsoProp+Na+H"	84.054008
"1003896"	118.050526	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+2ACN+2H"	84.067652
"1599494"	237.002028	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+K+HCOOH"	84.968628
"1425154"	267.033538	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+H+CF3COOH"	115.000138
"1152163"	138.563801	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+3ACN+2H"	125.094202
"1703900"	284.060085	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+NH4+CF3COOH"	132.026685
"1641737"	289.01548	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+Na+CF3COOH"	136.98208
"1581762"	304.98942	"C00385"	"Xanthine"	"C5H4N4O2"	"152.0334"	"M+K+CF3COOH"	152.95602
"802286"	226.1066	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M"	0
"975324"	207.08821	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-H2O-H"	-19.01839
"63929"	149.730457333333	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M-3H"	-3.021828
"512370"	225.099324	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M-3H"	-3.021828
"881543"	74.3615906666667	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-3H"	-3.021828
"1214"	225.099324	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M-2H"	-2.014552
"440404"	338.152624	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M-2H"	-2.014552
"828307"	112.046024	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-2H"	-2.014552
"89761"	451.205924	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M-H"	-1.007276
"522395"	677.312524	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M-H"	-1.007276
"900195"	225.099324	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-H"	-1.007276
"55662"	468.232471	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M-2H+NH4"	16.019271
"499841"	694.339071	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M-2H+NH4"	16.019271
"874115"	242.125871	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-2H+NH4"	16.019271
"34363"	473.187866	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M-2H+Na"	20.974666
"475017"	699.294466	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M-2H+Na"	20.974666
"853911"	247.081266	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-2H+Na"	20.974666
"1630005"	247.081266	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Na-2H"	20.974666
"105441"	243.087663	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M-H+Cl"	33.962126
"548902"	356.140963	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M-H+Cl"	33.962126
"941818"	130.034363	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-H+Cl"	33.962126
"281458"	487.182602	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+Cl"	34.969402
"674980"	713.289202	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+Cl"	34.969402
"1287266"	261.076002	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Cl"	34.969402
"31200"	489.161806	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M-2H+K"	36.948606
"470961"	715.268406	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M-2H+K"	36.948606
"847671"	263.055206	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-2H+K"	36.948606
"1570550"	263.055206	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+K-2H"	36.948606
"957703"	271.104794	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-H+HCOOH"	44.998194
"376850"	497.211401	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+HCOOH-H"	44.998201
"358212"	511.227051	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+Hac-H"	59.013851
"1503027"	285.120451	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Hac-H"	59.013851
"970577"	293.086751	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-H+NaCOOH"	66.980151
"125327"	261.076002	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+2Cl"	69.938804
"564520"	374.129302	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+2Cl"	69.938804
"1036604"	148.022702	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2Cl"	69.938804
"1256180"	305.025485	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Br"	78.918885
"1313156"	307.081472	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Cl+HCOOH"	80.974872
"1330653"	329.063429	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Cl+NaCOOH"	102.956829
"919526"	339.092186	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M-H+CF3COOH"	112.985586
"1299879"	375.068864	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Cl+CF3COOH"	148.962264
"1377674"	191.093924	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H-2H2O"	-35.012676
"1392254"	209.1039	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H-H2O"	-17.0027
"294129"	453.220476	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+H"	1.007276
"688381"	679.327076	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+H"	1.007276
"1365822"	227.113876	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H"	1.007276
"139075"	227.113876	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+2H"	2.014552
"578270"	340.167176	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+2H"	2.014552
"1048165"	114.060576	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2H"	2.014552
"214978"	151.745009333333	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+3H"	3.021828
"646883"	227.113876	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+3H"	3.021828
"1170476"	76.3761426666667	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+3H"	3.021828
"431562"	470.247023	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+NH4"	18.033823
"790367"	696.353623	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+NH4"	18.033823
"1687792"	244.140423	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+NH4"	18.033823
"340444"	235.6271495	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+H+NH4"	19.041099
"727397"	348.6804495	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+H+NH4"	19.041099
"1479030"	122.5738495	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H+NH4"	19.041099
"398805"	475.202418	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+Na"	22.989218
"763082"	701.309018	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+Na"	22.989218
"1610086"	249.095818	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Na"	22.989218
"317570"	238.104847	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+H+Na"	23.996494
"714730"	351.158147	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+H+Na"	23.996494
"1464176"	125.051547	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H+Na"	23.996494
"1056328"	83.7034566666667	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2H+Na"	25.00377
"1259098"	259.140086	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+CH3OH+H"	33.033486
"390817"	491.176358	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+K"	38.963158
"748530"	717.282958	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+K"	38.963158
"1552770"	265.069758	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+K"	38.963158
"308853"	246.091817	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+H+K"	39.970434
"697994"	359.145117	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+H+K"	39.970434
"1456185"	133.038517	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H+K"	39.970434
"243692"	494.247026	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+ACN+H"	42.033826
"1217494"	268.140426	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+ACN+H"	42.033826
"1200282"	134.573851	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+ACN+2H"	43.041102
"194247"	497.18436	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+2Na-H"	44.97116
"634901"	723.29096	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+2Na-H"	44.97116
"1140596"	271.07776	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2Na-H"	44.97116
"178783"	249.095818	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+2Na"	45.978436
"621260"	362.149118	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+2Na"	45.978436
"1122943"	136.042518	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2Na"	45.978436
"1410112"	91.0307706666667	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H+2Na"	46.985712
"1434936"	273.119346	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H+HCOOH"	47.012746
"222807"	254.12884	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+3H2O+2H"	56.04448
"1511600"	287.17139	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+IsoProp+H"	61.06479
"413837"	257.082788	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+Na+K"	61.952376
"773376"	370.136088	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+Na+K"	61.952376
"1667878"	144.029488	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Na+K"	61.952376
"256229"	516.228968	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+ACN+Na"	64.015768
"1233313"	290.122368	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+ACN+Na"	64.015768
"1720012"	290.145893	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+NH4+HCOOH"	64.039293
"1191567"	98.3580846666667	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+3Na"	68.967654
"1664620"	295.101288	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Na+HCOOH"	68.994688
"171609"	529.13224	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+2K-H"	76.91904
"610809"	755.23884	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+2K-H"	76.91904
"1096413"	303.02564	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2K-H"	76.91904
"151406"	265.069758	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"2M+2K"	77.926316
"593154"	378.123058	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"3M+2K"	77.926316
"1080216"	152.016458	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2K"	77.926316
"1111239"	305.040192	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2K+H"	78.933592
"1344343"	305.127807	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+DMSO+H"	79.021207
"1015059"	309.166976	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2ACN+H"	83.060376
"1537556"	310.160608	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+IsoProp+Na+H"	84.054008
"1004613"	155.087126	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+2ACN+2H"	84.067652
"1600696"	311.075228	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+K+HCOOH"	84.968628
"1424170"	341.106738	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+H+CF3COOH"	115.000138
"1152273"	175.600401	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+3ACN+2H"	125.094202
"1704010"	358.133285	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+NH4+CF3COOH"	132.026685
"1640754"	363.08868	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+Na+CF3COOH"	136.98208
"1581872"	379.06262	"C00386"	"Carnosine;Nalpha-(beta-alanyl)-L-histidine"	"C9H14N4O3"	"226.1066"	"M+K+CF3COOH"	152.95602
"805676"	283.0917	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M"	0
"976654"	264.07331	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-H2O-H"	-19.01839
"63922"	187.720524	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M-3H"	-3.021828
"515760"	282.084424	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M-3H"	-3.021828
"884812"	93.356624	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-3H"	-3.021828
"2296"	282.084424	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M-2H"	-2.014552
"441366"	423.630274	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M-2H"	-2.014552
"828784"	140.538574	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-2H"	-2.014552
"91326"	565.176124	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M-H"	-1.007276
"527972"	848.267824	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M-H"	-1.007276
"906865"	282.084424	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-H"	-1.007276
"59418"	582.202671	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M-2H+NH4"	16.019271
"497518"	865.294371	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M-2H+NH4"	16.019271
"874225"	299.110971	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-2H+NH4"	16.019271
"33501"	587.158066	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M-2H+Na"	20.974666
"478407"	870.249766	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M-2H+Na"	20.974666
"852928"	304.066366	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-2H+Na"	20.974666
"1625741"	304.066366	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Na-2H"	20.974666
"104457"	300.072763	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M-H+Cl"	33.962126
"549704"	441.618613	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M-H+Cl"	33.962126
"942463"	158.526913	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-H+Cl"	33.962126
"281934"	601.152802	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+Cl"	34.969402
"675220"	884.244502	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+Cl"	34.969402
"1287987"	318.061102	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Cl"	34.969402
"31112"	603.132006	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M-2H+K"	36.948606
"470950"	886.223706	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M-2H+K"	36.948606
"846930"	320.040306	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-2H+K"	36.948606
"1571026"	320.040306	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+K-2H"	36.948606
"958178"	328.089894	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-H+HCOOH"	44.998194
"375784"	611.181601	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+HCOOH-H"	44.998201
"359053"	625.197251	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+Hac-H"	59.013851
"1502046"	342.105551	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Hac-H"	59.013851
"971052"	350.071851	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-H+NaCOOH"	66.980151
"124342"	318.061102	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+2Cl"	69.938804
"565532"	459.606952	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+2Cl"	69.938804
"1036976"	176.515252	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2Cl"	69.938804
"1256922"	362.010585	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Br"	78.918885
"1319590"	364.066572	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Cl+HCOOH"	80.974872
"1333315"	386.048529	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Cl+NaCOOH"	102.956829
"925710"	396.077286	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M-H+CF3COOH"	112.985586
"1303937"	432.053964	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Cl+CF3COOH"	148.962264
"1381998"	248.079024	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H-2H2O"	-35.012676
"1396374"	266.089	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H-H2O"	-17.0027
"295332"	567.190676	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+H"	1.007276
"690557"	850.282376	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+H"	1.007276
"1365567"	284.098976	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H"	1.007276
"139913"	284.098976	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+2H"	2.014552
"577287"	425.644826	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+2H"	2.014552
"1048275"	142.553126	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2H"	2.014552
"219303"	189.735076	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+3H"	3.021828
"656835"	284.098976	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+3H"	3.021828
"1173867"	95.371176	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+3H"	3.021828
"431671"	584.217223	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+NH4"	18.033823
"791571"	867.308923	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+NH4"	18.033823
"1687902"	301.125523	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+NH4"	18.033823
"337274"	292.6122495	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+H+NH4"	19.041099
"727507"	434.1580995	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+H+NH4"	19.041099
"1484607"	151.0663995	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H+NH4"	19.041099
"396726"	589.172618	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+Na"	22.989218
"757720"	872.264318	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+Na"	22.989218
"1605820"	306.080918	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Na"	22.989218
"319138"	295.089947	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+H+Na"	23.996494
"711558"	436.635797	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+H+Na"	23.996494
"1462462"	153.544097	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H+Na"	23.996494
"1055343"	102.69849	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2H+Na"	25.00377
"1261396"	316.125186	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+CH3OH+H"	33.033486
"390198"	605.146558	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+K"	38.963158
"753016"	888.238258	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+K"	38.963158
"1553855"	322.054858	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+K"	38.963158
"308598"	303.076917	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+H+K"	39.970434
"703572"	444.622767	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+H+K"	39.970434
"1457027"	161.531067	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H+K"	39.970434
"248180"	608.217226	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+ACN+H"	42.033826
"1220523"	325.125526	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+ACN+H"	42.033826
"1202580"	163.066401	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+ACN+2H"	43.041102
"196544"	611.15456	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+2Na-H"	44.97116
"636105"	894.24626	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+2Na-H"	44.97116
"1144718"	328.06286	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2Na-H"	44.97116
"182903"	306.080918	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+2Na"	45.978436
"623558"	447.626768	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+2Na"	45.978436
"1124875"	164.535068	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2Na"	45.978436
"1410222"	110.025804	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H+2Na"	46.985712
"1438690"	330.104446	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H+HCOOH"	47.012746
"223282"	311.11394	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+3H2O+2H"	56.04448
"1514990"	344.15649	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+IsoProp+H"	61.06479
"416499"	314.067888	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+Na+K"	61.952376
"772757"	455.613738	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+Na+K"	61.952376
"1667262"	172.522038	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Na+K"	61.952376
"258162"	630.199168	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+ACN+Na"	64.015768
"1235246"	347.107468	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+ACN+Na"	64.015768
"1720122"	347.130993	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+NH4+HCOOH"	64.039293
"1190946"	117.353118	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+3Na"	68.967654
"1664608"	352.086388	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Na+HCOOH"	68.994688
"170624"	643.10244	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+2K-H"	76.91904
"607638"	926.19414	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+2K-H"	76.91904
"1095798"	360.01074	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2K-H"	76.91904
"152247"	322.054858	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"2M+2K"	77.926316
"592898"	463.600708	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"3M+2K"	77.926316
"1078505"	180.509008	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2K"	77.926316
"1110256"	362.025292	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2K+H"	78.933592
"1343360"	362.112907	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+DMSO+H"	79.021207
"1011889"	366.152076	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2ACN+H"	83.060376
"1538396"	367.145708	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+IsoProp+Na+H"	84.054008
"1004723"	183.579676	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+2ACN+2H"	84.067652
"1600442"	368.060328	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+K+HCOOH"	84.968628
"1425373"	398.091838	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+H+CF3COOH"	115.000138
"1155664"	204.092951	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+3ACN+2H"	125.094202
"1704120"	415.118385	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+NH4+CF3COOH"	132.026685
"1640864"	420.07378	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+Na+CF3COOH"	136.98208
"1581982"	436.04772	"C00387"	"Guanosine"	"C10H13N5O5"	"283.0917"	"M+K+CF3COOH"	152.95602
"802506"	111.0796	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M"	0
"974398"	92.06121	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-H2O-H"	-19.01839
"63907"	73.0457906666667	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M-3H"	-3.021828
"509309"	110.072324	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M-3H"	-3.021828
"883829"	36.0192573333333	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-3H"	-3.021828
"4592"	110.072324	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M-2H"	-2.014552
"441355"	165.612124	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M-2H"	-2.014552
"829988"	54.532524	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-2H"	-2.014552
"88517"	221.151924	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M-H"	-1.007276
"519698"	332.231524	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M-H"	-1.007276
"900415"	110.072324	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-H"	-1.007276
"54789"	238.178471	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M-2H+NH4"	16.019271
"495442"	349.258071	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M-2H+NH4"	16.019271
"874334"	127.098871	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-2H+NH4"	16.019271
"32144"	243.133866	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M-2H+Na"	20.974666
"471789"	354.213466	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M-2H+Na"	20.974666
"853038"	132.054266	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-2H+Na"	20.974666
"1625851"	132.054266	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Na-2H"	20.974666
"101287"	128.060663	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M-H+Cl"	33.962126
"549333"	183.600463	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M-H+Cl"	33.962126
"942398"	72.520863	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-H+Cl"	33.962126
"281800"	257.128602	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+Cl"	34.969402
"675288"	368.208202	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+Cl"	34.969402
"1287003"	146.049002	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Cl"	34.969402
"30413"	259.107806	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M-2H+K"	36.948606
"470738"	370.187406	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M-2H+K"	36.948606
"848092"	148.028206	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-2H+K"	36.948606
"1570283"	148.028206	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+K-2H"	36.948606
"958045"	156.077794	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-H+HCOOH"	44.998194
"376785"	267.157401	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+HCOOH-H"	44.998201
"360620"	281.173051	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+Hac-H"	59.013851
"1505435"	170.093451	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Hac-H"	59.013851
"971161"	178.059751	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-H+NaCOOH"	66.980151
"124084"	146.049002	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+2Cl"	69.938804
"565111"	201.588802	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+2Cl"	69.938804
"1036824"	90.509202	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2Cl"	69.938804
"1256932"	189.998485	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Br"	78.918885
"1319874"	192.054472	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Cl+HCOOH"	80.974872
"1330873"	214.036429	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Cl+NaCOOH"	102.956829
"923023"	224.065186	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M-H+CF3COOH"	112.985586
"1304118"	260.041864	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Cl+CF3COOH"	148.962264
"1381541"	76.066924	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H-2H2O"	-35.012676
"1395391"	94.0769	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H-H2O"	-17.0027
"293256"	223.166476	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+H"	1.007276
"691155"	334.246076	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+H"	1.007276
"1365677"	112.086876	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H"	1.007276
"137837"	112.086876	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+2H"	2.014552
"575211"	167.626676	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+2H"	2.014552
"1048385"	56.547076	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2H"	2.014552
"215200"	75.0603426666667	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+3H"	3.021828
"656946"	112.086876	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+3H"	3.021828
"1175070"	38.0338093333333	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+3H"	3.021828
"433968"	240.193023	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+NH4"	18.033823
"790587"	351.272623	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+NH4"	18.033823
"1683273"	129.113423	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+NH4"	18.033823
"336290"	120.6001495	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+H+NH4"	19.041099
"727617"	176.1399495	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+H+NH4"	19.041099
"1485810"	65.0603495	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H+NH4"	19.041099
"396836"	245.148418	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+Na"	22.989218
"756737"	356.228018	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+Na"	22.989218
"1606294"	134.068818	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Na"	22.989218
"318154"	123.077847	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+H+Na"	23.996494
"711668"	178.617647	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+H+Na"	23.996494
"1462688"	67.538047	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H+Na"	23.996494
"1055817"	45.3611233333333	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2H+Na"	25.00377
"1258225"	144.113086	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+CH3OH+H"	33.033486
"378986"	261.122358	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+K"	38.963158
"742176"	372.201958	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+K"	38.963158
"1552992"	150.042758	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+K"	38.963158
"311259"	131.064817	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+H+K"	39.970434
"704772"	186.604617	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+H+K"	39.970434
"1459324"	75.525017	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H+K"	39.970434
"247192"	264.193026	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+ACN+H"	42.033826
"1222090"	153.113426	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+ACN+H"	42.033826
"1202325"	77.060351	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+ACN+2H"	43.041102
"195925"	267.13036	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+2Na-H"	44.97116
"634391"	378.20996	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+2Na-H"	44.97116
"1144099"	156.05076	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2Na-H"	44.97116
"181190"	134.068818	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+2Na"	45.978436
"624761"	189.608618	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+2Na"	45.978436
"1126078"	78.529018	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2Na"	45.978436
"1410695"	52.6884373333333	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H+2Na"	46.985712
"1435884"	158.092346	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H+HCOOH"	47.012746
"223392"	139.10184	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+3H2O+2H"	56.04448
"1515100"	172.14439	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+IsoProp+H"	61.06479
"415880"	142.055788	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+Na+K"	61.952376
"770313"	197.595588	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+Na+K"	61.952376
"1666279"	86.515988	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Na+K"	61.952376
"258636"	286.174968	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+ACN+Na"	64.015768
"1233533"	175.095368	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+ACN+Na"	64.015768
"1720961"	175.118893	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+NH4+HCOOH"	64.039293
"1192149"	60.0157513333333	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+3Na"	68.967654
"1664230"	180.074288	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Na+HCOOH"	68.994688
"171950"	299.07824	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+2K-H"	76.91904
"608115"	410.15784	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+2K-H"	76.91904
"1096272"	187.99864	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2K-H"	76.91904
"152358"	150.042758	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"2M+2K"	77.926316
"593008"	205.582558	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"3M+2K"	77.926316
"1078249"	94.502958	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2K"	77.926316
"1108178"	190.013192	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2K+H"	78.933592
"1342376"	190.100807	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+DMSO+H"	79.021207
"1010905"	194.139976	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2ACN+H"	83.060376
"1537777"	195.133608	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+IsoProp+Na+H"	84.054008
"1003860"	97.573626	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+2ACN+2H"	84.067652
"1599823"	196.048228	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+K+HCOOH"	84.968628
"1426576"	226.079738	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+H+CF3COOH"	115.000138
"1156867"	118.086901	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+3ACN+2H"	125.094202
"1704230"	243.106285	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+NH4+CF3COOH"	132.026685
"1640974"	248.06168	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+Na+CF3COOH"	136.98208
"1582092"	264.03562	"C00388"	"Histamine;1H-Imidazole-4-ethanamine;2-(4-Imidazolyl)ethylamine"	"C5H9N3"	"111.0796"	"M+K+CF3COOH"	152.95602
"802616"	302.0427	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M"	0
"974483"	283.02431	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"63126"	200.354524	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"507231"	301.035424	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"880330"	99.673624	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"5795"	301.035424	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"440614"	452.056774	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"829732"	150.014074	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"85347"	603.078124	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"522725"	905.120824	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"895801"	301.035424	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"47484"	620.104671	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"492272"	922.147371	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"871164"	318.061971	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"31561"	625.060066	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"471529"	927.102766	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"848726"	323.017366	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1623774"	323.017366	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"99210"	319.023763	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"548988"	470.045113	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"942670"	168.002413	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"282272"	639.054802	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"675401"	941.097502	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1288282"	337.012102	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"31336"	641.034006	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"471322"	943.076706	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"848115"	338.991306	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1570992"	338.991306	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"957417"	347.040894	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"375749"	649.083601	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"354530"	663.099251	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1502266"	361.056551	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"969813"	369.022851	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"120182"	337.012102	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"564727"	488.033452	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1034376"	185.990752	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1255047"	380.961585	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1316400"	383.017572	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1327702"	404.999529	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"919853"	415.028286	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1300208"	451.004964	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1376910"	267.030024	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1386749"	285.04	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"293366"	605.092676	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"687617"	907.135376	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1362871"	303.049976	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"134666"	303.049976	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"576414"	454.071326	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1045215"	152.028626	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"212027"	202.369076	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"647942"	303.049976	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1168618"	101.688176	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"426421"	622.119223	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"788145"	924.161923	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1683383"	320.076523	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"330242"	311.5632495	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"724811"	462.5845995	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1484827"	160.5418995	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"395124"	627.074618	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"756118"	929.117318	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1602956"	325.031918	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"314366"	314.040947	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"707089"	465.062297	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1461569"	163.019597	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1052913"	109.01549	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1257358"	335.076186	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"377182"	643.048558	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"744472"	945.091258	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1552738"	341.005858	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"313556"	322.027917	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"703787"	473.049267	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1459794"	171.006567	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"246209"	646.119226	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1222929"	344.076526	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1203893"	172.541901	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"196399"	649.05656	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"633772"	951.09926	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1140924"	347.01386	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"182393"	325.031918	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"623410"	476.053268	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1127281"	174.010568	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1408618"	116.342804	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1435994"	349.055446	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"223502"	330.06494	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1515210"	363.10749	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"415990"	333.018888	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"770339"	484.040238	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1665938"	181.997538	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"252547"	668.101168	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1231455"	366.058468	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1720342"	366.081993	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1185697"	123.670118	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1661061"	371.037388	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"169017"	681.00444	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"610047"	983.04714	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1097112"	378.96174	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"154288"	341.005858	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"593846"	492.027208	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1078359"	189.984508	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1110474"	380.976292	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1343578"	381.063907	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1011015"	385.103076	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1538252"	386.096708	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"1005185"	193.055176	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1599933"	387.011328	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1425593"	417.042838	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1156977"	213.568451	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1704340"	434.069385	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1642177"	439.02478	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1582202"	454.99872	"C00389"	"Quercetin;33457-Pentahydroxyflavone;35734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"802727"	182.079	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M"	0
"979543"	163.06061	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-H2O-H"	-19.01839
"72158"	120.378724	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M-3H"	-3.021828
"506254"	181.071724	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M-3H"	-3.021828
"887336"	59.685724	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-3H"	-3.021828
"8105"	181.071724	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M-2H"	-2.014552
"448761"	272.111224	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M-2H"	-2.014552
"818178"	90.032224	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-2H"	-2.014552
"82180"	363.150724	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M-H"	-1.007276
"520038"	545.229724	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M-H"	-1.007276
"896987"	181.071724	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-H"	-1.007276
"47387"	380.177271	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M-2H+NH4"	16.019271
"487124"	562.256271	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M-2H+NH4"	16.019271
"864219"	198.098271	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-2H+NH4"	16.019271
"31434"	385.132666	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M-2H+Na"	20.974666
"471810"	567.211666	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M-2H+Na"	20.974666
"860916"	203.053666	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-2H+Na"	20.974666
"1632639"	203.053666	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Na-2H"	20.974666
"109781"	199.060063	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M-H+Cl"	33.962126
"549839"	290.099563	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M-H+Cl"	33.962126
"940061"	108.020563	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-H+Cl"	33.962126
"282266"	399.127402	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+Cl"	34.969402
"674198"	581.206402	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+Cl"	34.969402
"1286358"	217.048402	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Cl"	34.969402
"29279"	401.106606	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M-2H+K"	36.948606
"467745"	583.185606	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M-2H+K"	36.948606
"846641"	219.027606	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-2H+K"	36.948606
"1567942"	219.027606	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+K-2H"	36.948606
"952545"	227.077194	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-H+HCOOH"	44.998194
"374040"	409.156201	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+HCOOH-H"	44.998201
"352460"	423.171851	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+Hac-H"	59.013851
"1503844"	241.092851	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Hac-H"	59.013851
"967739"	249.059151	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-H+NaCOOH"	66.980151
"119929"	217.048402	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+2Cl"	69.938804
"555115"	308.087902	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+2Cl"	69.938804
"1033392"	126.008902	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2Cl"	69.938804
"1243494"	260.997885	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Br"	78.918885
"1310317"	263.053872	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Cl+HCOOH"	80.974872
"1321250"	285.035829	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Cl+NaCOOH"	102.956829
"919965"	295.064586	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M-H+CF3COOH"	112.985586
"1301047"	331.041264	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Cl+CF3COOH"	148.962264
"1379938"	147.066324	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H-2H2O"	-35.012676
"1390145"	165.0763	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H-H2O"	-17.0027
"290924"	365.165276	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+H"	1.007276
"685539"	547.244276	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+H"	1.007276
"1362980"	183.086276	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H"	1.007276
"136973"	183.086276	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+2H"	2.014552
"573250"	274.125776	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+2H"	2.014552
"1049705"	92.046776	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2H"	2.014552
"214325"	122.393276	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+3H"	3.021828
"650602"	183.086276	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+3H"	3.021828
"1167270"	61.700276	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+3H"	3.021828
"429812"	382.191823	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+NH4"	18.033823
"791901"	564.270823	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+NH4"	18.033823
"1683491"	200.112823	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+NH4"	18.033823
"330056"	191.5995495	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+H+NH4"	19.041099
"722885"	282.6390495	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+H+NH4"	19.041099
"1477314"	100.5600495	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H+NH4"	19.041099
"393045"	387.147218	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+Na"	22.989218
"756961"	569.226218	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+Na"	22.989218
"1605423"	205.068218	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Na"	22.989218
"314596"	194.077247	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+H+Na"	23.996494
"707623"	285.116747	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+H+Na"	23.996494
"1463159"	103.037747	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H+Na"	23.996494
"1053487"	69.02759	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2H+Na"	25.00377
"1267203"	215.112486	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+CH3OH+H"	33.033486
"392764"	403.121158	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+K"	38.963158
"753955"	585.200158	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+K"	38.963158
"1555455"	221.042158	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+K"	38.963158
"311477"	202.064217	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+H+K"	39.970434
"704990"	293.103717	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+H+K"	39.970434
"1458810"	111.024717	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H+K"	39.970434
"244131"	406.191826	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+ACN+H"	42.033826
"1220120"	224.112826	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+ACN+H"	42.033826
"1202910"	112.560051	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+ACN+2H"	43.041102
"199062"	409.12916	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+2Na-H"	44.97116
"637893"	591.20816	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+2Na-H"	44.97116
"1143952"	227.05016	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2Na-H"	44.97116
"179951"	205.068218	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+2Na"	45.978436
"620971"	296.107718	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+2Na"	45.978436
"1123746"	114.028718	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2Na"	45.978436
"1409821"	76.354904	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H+2Na"	46.985712
"1435740"	229.091746	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H+HCOOH"	47.012746
"226164"	210.10124	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+3H2O+2H"	56.04448
"1512403"	243.14379	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+IsoProp+H"	61.06479
"415011"	213.055188	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+Na+K"	61.952376
"780383"	304.094688	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+Na+K"	61.952376
"1676716"	122.015688	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Na+K"	61.952376
"261045"	428.173768	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+ACN+Na"	64.015768
"1239225"	246.094768	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+ACN+Na"	64.015768
"1724832"	246.118293	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+NH4+HCOOH"	64.039293
"1190923"	83.682218	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+3Na"	68.967654
"1663735"	251.073688	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Na+HCOOH"	68.994688
"169865"	441.07704	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+2K-H"	76.91904
"610517"	623.15604	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+2K-H"	76.91904
"1097221"	258.99804	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2K-H"	76.91904
"154398"	221.042158	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"2M+2K"	77.926316
"589582"	312.081658	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"3M+2K"	77.926316
"1078468"	130.002658	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2K"	77.926316
"1108397"	261.012592	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2K+H"	78.933592
"1344781"	261.100207	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+DMSO+H"	79.021207
"1007844"	265.139376	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2ACN+H"	83.060376
"1532530"	266.133008	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+IsoProp+Na+H"	84.054008
"993511"	133.073326	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+2ACN+2H"	84.067652
"1591296"	267.047628	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+K+HCOOH"	84.968628
"1416956"	297.079138	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+H+CF3COOH"	115.000138
"1152712"	153.586601	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+3ACN+2H"	125.094202
"1707730"	314.105685	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+NH4+CF3COOH"	132.026685
"1637916"	319.06108	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+Na+CF3COOH"	136.98208
"1582314"	335.03502	"C00392"	"Mannitol;D-Mannitol"	"C6H14O6"	"182.079"	"M+K+CF3COOH"	152.95602
"803931"	605.0772	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M"	0
"985850"	586.05881	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-H2O-H"	-19.01839
"72271"	402.377524	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M-3H"	-3.021828
"509644"	604.069924	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M-3H"	-3.021828
"887452"	200.685124	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-3H"	-3.021828
"8215"	604.069924	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M-2H"	-2.014552
"442309"	906.608524	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M-2H"	-2.014552
"818652"	301.531324	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-2H"	-2.014552
"82290"	1209.147124	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M-H"	-1.007276
"522943"	1814.224324	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M-H"	-1.007276
"899651"	604.069924	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-H"	-1.007276
"49287"	1226.173671	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+NH4"	16.019271
"489212"	1831.250871	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+NH4"	16.019271
"869202"	621.096471	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-2H+NH4"	16.019271
"39290"	1231.129066	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+Na"	20.974666
"477756"	1836.206266	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+Na"	20.974666
"858846"	626.051866	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-2H+Na"	20.974666
"1632760"	626.051866	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Na-2H"	20.974666
"109532"	622.058263	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M-H+Cl"	33.962126
"549090"	924.596863	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M-H+Cl"	33.962126
"941509"	319.519663	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-H+Cl"	33.962126
"282257"	1245.123802	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+Cl"	34.969402
"673946"	1850.201002	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+Cl"	34.969402
"1287079"	640.046602	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Cl"	34.969402
"29270"	1247.103006	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+K"	36.948606
"464575"	1852.180206	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+K"	36.948606
"842378"	642.025806	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-2H+K"	36.948606
"1565865"	642.025806	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+K-2H"	36.948606
"952657"	650.075394	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-H+HCOOH"	44.998194
"369779"	1255.152601	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+HCOOH-H"	44.998201
"351477"	1269.168251	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+Hac-H"	59.013851
"1497029"	664.091051	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Hac-H"	59.013851
"965666"	672.057351	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-H+NaCOOH"	66.980151
"114574"	640.046602	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+2Cl"	69.938804
"561060"	942.585202	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+2Cl"	69.938804
"1025843"	337.508002	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2Cl"	69.938804
"1245792"	683.996085	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Br"	78.918885
"1307147"	686.052072	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+HCOOH"	80.974872
"1323548"	708.034029	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+NaCOOH"	102.956829
"920075"	718.062786	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M-H+CF3COOH"	112.985586
"1293504"	754.039464	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+CF3COOH"	148.962264
"1370572"	570.064524	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H-2H2O"	-35.012676
"1390255"	588.0745	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H-H2O"	-17.0027
"291043"	1211.161676	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+H"	1.007276
"687837"	1816.238876	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+H"	1.007276
"1359815"	606.084476	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H"	1.007276
"130515"	606.084476	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+2H"	2.014552
"580288"	908.623076	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+2H"	2.014552
"1052371"	303.545876	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2H"	2.014552
"219293"	404.392076	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+3H"	3.021828
"648892"	606.084476	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+3H"	3.021828
"1168839"	202.699676	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+3H"	3.021828
"429192"	1228.188223	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+NH4"	18.033823
"789824"	1833.265423	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+NH4"	18.033823
"1682143"	623.111023	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+NH4"	18.033823
"331515"	614.5977495	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+H+NH4"	19.041099
"724302"	917.1363495	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+H+NH4"	19.041099
"1478851"	312.0591495	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H+NH4"	19.041099
"396441"	1233.143618	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+Na"	22.989218
"760354"	1838.220818	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+Na"	22.989218
"1606993"	628.066418	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Na"	22.989218
"315567"	617.075447	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+H+Na"	23.996494
"715286"	919.614047	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+H+Na"	23.996494
"1463273"	314.536847	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H+Na"	23.996494
"1064548"	210.02699	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2H+Na"	25.00377
"1269511"	638.110686	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+CH3OH+H"	33.033486
"390273"	1249.117558	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+K"	38.963158
"751629"	1854.194758	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+K"	38.963158
"1552953"	644.040358	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+K"	38.963158
"308303"	625.062417	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+H+K"	39.970434
"698538"	927.601017	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+H+K"	39.970434
"1459652"	322.523817	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H+K"	39.970434
"243148"	1252.188226	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+H"	42.033826
"1220231"	647.111026	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+H"	42.033826
"1204116"	324.059151	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+2H"	43.041102
"199174"	1255.12556	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na-H"	44.97116
"639827"	1860.20276	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na-H"	44.97116
"1142240"	650.04836	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2Na-H"	44.97116
"176780"	628.066418	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na"	45.978436
"621810"	930.605018	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na"	45.978436
"1122764"	325.527818	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2Na"	45.978436
"1405194"	217.354304	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H+2Na"	46.985712
"1438767"	652.089946	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H+HCOOH"	47.012746
"226639"	633.09944	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+3H2O+2H"	56.04448
"1514342"	666.14199	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+H"	61.06479
"419498"	636.053388	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+Na+K"	61.952376
"781586"	938.591988	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+Na+K"	61.952376
"1673545"	333.514788	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Na+K"	61.952376
"264812"	1274.170168	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+Na"	64.015768
"1236060"	669.092968	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+Na"	64.015768
"1723496"	669.116493	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+HCOOH"	64.039293
"1190306"	224.681618	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+3Na"	68.967654
"1659106"	674.071888	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Na+HCOOH"	68.994688
"167788"	1287.07344	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+2K-H"	76.91904
"608441"	1892.15064	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+2K-H"	76.91904
"1094774"	681.99624	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2K-H"	76.91904
"152684"	644.040358	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"2M+2K"	77.926316
"589691"	946.578958	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"3M+2K"	77.926316
"1079670"	341.501758	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2K"	77.926316
"1110329"	684.010792	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2K+H"	78.933592
"1341609"	684.098407	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+DMSO+H"	79.021207
"1009046"	688.137576	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+H"	83.060376
"1529357"	689.131208	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+Na+H"	84.054008
"994712"	344.572426	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+2H"	84.067652
"1589215"	690.045828	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+K+HCOOH"	84.968628
"1418158"	720.077338	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+H+CF3COOH"	115.000138
"1153916"	365.085701	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+3ACN+2H"	125.094202
"1701280"	737.103885	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+CF3COOH"	132.026685
"1638026"	742.05928	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+Na+CF3COOH"	136.98208
"1582424"	758.03322	"C00394"	"GDP-glucose;GDP-D-glucose;GDP-alpha-D-glucose"	"C16H25N5O16P2"	"605.0772"	"M+K+CF3COOH"	152.95602
"802949"	80.0374	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M"	0
"986324"	61.01901	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-H2O-H"	-19.01839
"63876"	52.3509906666667	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M-3H"	-3.021828
"509758"	79.030124	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M-3H"	-3.021828
"884282"	25.6718573333333	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-3H"	-3.021828
"1765"	79.030124	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M-2H"	-2.014552
"443510"	119.048824	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M-2H"	-2.014552
"819490"	39.011424	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-2H"	-2.014552
"79846"	159.067524	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M-H"	-1.007276
"526334"	239.104924	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M-H"	-1.007276
"897940"	79.030124	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-H"	-1.007276
"49762"	176.094071	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M-2H+NH4"	16.019271
"491512"	256.131471	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M-2H+NH4"	16.019271
"865298"	96.056671	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-2H+NH4"	16.019271
"37214"	181.049466	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M-2H+Na"	20.974666
"484433"	261.086866	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M-2H+Na"	20.974666
"856768"	101.012066	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-2H+Na"	20.974666
"1629582"	101.012066	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Na-2H"	20.974666
"101735"	97.018463	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M-H+Cl"	33.962126
"546764"	137.037163	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M-H+Cl"	33.962126
"941132"	56.999763	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-H+Cl"	33.962126
"282370"	195.044202	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+Cl"	34.969402
"673935"	275.081602	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+Cl"	34.969402
"1286943"	115.006802	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Cl"	34.969402
"28408"	197.023406	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M-2H+K"	36.948606
"464688"	277.060806	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M-2H+K"	36.948606
"842489"	116.986006	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-2H+K"	36.948606
"1567069"	116.986006	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+K-2H"	36.948606
"948394"	125.035594	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-H+HCOOH"	44.998194
"369889"	205.073001	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+HCOOH-H"	44.998201
"352680"	219.088651	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+Hac-H"	59.013851
"1498232"	139.051251	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Hac-H"	59.013851
"964681"	147.017551	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-H+NaCOOH"	66.980151
"119056"	115.006802	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+2Cl"	69.938804
"554243"	155.025502	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+2Cl"	69.938804
"1024500"	74.988102	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2Cl"	69.938804
"1244078"	158.956285	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Br"	78.918885
"1307621"	161.012272	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Cl+HCOOH"	80.974872
"1323292"	182.994229	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Cl+NaCOOH"	102.956829
"916907"	193.022986	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M-H+CF3COOH"	112.985586
"1297991"	228.999664	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Cl+CF3COOH"	148.962264
"1378339"	45.024724	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H-2H2O"	-35.012676
"1389278"	63.0347	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H-H2O"	-17.0027
"292245"	161.082076	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+H"	1.007276
"683573"	241.119476	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+H"	1.007276
"1361018"	81.044676	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H"	1.007276
"129531"	81.044676	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+2H"	2.014552
"574560"	121.063376	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+2H"	2.014552
"1051867"	41.025976	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2H"	2.014552
"211630"	54.3655426666667	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+3H"	3.021828
"651916"	81.044676	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+3H"	3.021828
"1168947"	27.6864093333333	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+3H"	3.021828
"427480"	178.108623	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+NH4"	18.033823
"789205"	258.146023	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+NH4"	18.033823
"1681516"	98.071223	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+NH4"	18.033823
"330447"	89.5579495	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+H+NH4"	19.041099
"724048"	129.5766495	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+H+NH4"	19.041099
"1482976"	49.5392495	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H+NH4"	19.041099
"397281"	183.064018	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+Na"	22.989218
"760464"	263.101418	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+Na"	22.989218
"1606740"	103.026618	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Na"	22.989218
"321882"	92.035647	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+H+Na"	23.996494
"715397"	132.054347	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+H+Na"	23.996494
"1474693"	52.016947	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H+Na"	23.996494
"1066117"	35.0137233333333	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2H+Na"	25.00377
"1269988"	113.070886	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+CH3OH+H"	33.033486
"388197"	199.037958	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+K"	38.963158
"753082"	279.075358	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+K"	38.963158
"1554889"	119.000558	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+K"	38.963158
"311695"	100.022617	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+H+K"	39.970434
"699742"	140.041317	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+H+K"	39.970434
"1459398"	60.003917	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H+K"	39.970434
"249091"	202.108626	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+ACN+H"	42.033826
"1221071"	122.071226	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+ACN+H"	42.033826
"1207508"	61.539251	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+ACN+2H"	43.041102
"198922"	205.04596	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+2Na-H"	44.97116
"638845"	285.08336	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+2Na-H"	44.97116
"1137978"	125.00856	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2Na-H"	44.97116
"179806"	103.026618	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+2Na"	45.978436
"622287"	143.045318	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+2Na"	45.978436
"1124333"	63.007918	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2Na"	45.978436
"1410045"	42.3410373333333	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H+2Na"	46.985712
"1438879"	127.050146	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H+HCOOH"	47.012746
"220919"	108.05964	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+3H2O+2H"	56.04448
"1516641"	141.10219	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+IsoProp+H"	61.06479
"418516"	111.013588	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+Na+K"	61.952376
"784500"	151.032288	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+Na+K"	61.952376
"1678770"	70.994888	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Na+K"	61.952376
"264197"	224.090568	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+ACN+Na"	64.015768
"1238000"	144.053168	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+ACN+Na"	64.015768
"1725062"	144.076693	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+NH4+HCOOH"	64.039293
"1190781"	49.6683513333333	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+3Na"	68.967654
"1661039"	149.032088	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Na+HCOOH"	68.994688
"169357"	236.99384	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+2K-H"	76.91904
"606363"	317.03124	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+2K-H"	76.91904
"1089415"	156.95644	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2K-H"	76.91904
"152794"	119.000558	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"2M+2K"	77.926316
"589801"	159.019258	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"3M+2K"	77.926316
"1075407"	78.981858	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2K"	77.926316
"1108617"	158.970992	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2K+H"	78.933592
"1341720"	159.058607	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+DMSO+H"	79.021207
"1005953"	163.097776	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2ACN+H"	83.060376
"1524849"	164.091408	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+IsoProp+Na+H"	84.054008
"990691"	82.052526	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+2ACN+2H"	84.067652
"1587421"	165.006028	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+K+HCOOH"	84.968628
"1414623"	195.037538	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+H+CF3COOH"	115.000138
"1149652"	102.565801	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+3ACN+2H"	125.094202
"1701390"	212.064085	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+NH4+CF3COOH"	132.026685
"1641417"	217.01948	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+Na+CF3COOH"	136.98208
"1573423"	232.99342	"C00396"	"Pyrimidine;Pyrimidine base"	"C4H4N2"	"80.0374"	"M+K+CF3COOH"	152.95602
"812902"	467.2591	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M"	0
"983155"	448.24071	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-H2O-H"	-19.01839
"65931"	310.498790666667	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M-3H"	-3.021828
"509869"	466.251824	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M-3H"	-3.021828
"890954"	154.745757333333	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-3H"	-3.021828
"5156"	466.251824	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M-2H"	-2.014552
"441190"	699.881374	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M-2H"	-2.014552
"821059"	232.622274	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-2H"	-2.014552
"85789"	933.510924	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M-H"	-1.007276
"526444"	1400.770024	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M-H"	-1.007276
"900966"	466.251824	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-H"	-1.007276
"49873"	950.537471	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M-2H+NH4"	16.019271
"496726"	1417.796571	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M-2H+NH4"	16.019271
"868330"	483.278371	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-2H+NH4"	16.019271
"44615"	955.492866	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M-2H+Na"	20.974666
"483450"	1422.751966	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M-2H+Na"	20.974666
"860158"	488.233766	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-2H+Na"	20.974666
"1629693"	488.233766	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Na-2H"	20.974666
"102940"	484.240163	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M-H+Cl"	33.962126
"545782"	717.869713	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M-H+Cl"	33.962126
"938204"	250.610613	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-H+Cl"	33.962126
"281745"	969.487602	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+Cl"	34.969402
"674288"	1436.746702	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+Cl"	34.969402
"1284867"	502.228502	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Cl"	34.969402
"26331"	971.466806	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M-2H+K"	36.948606
"461518"	1438.725906	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M-2H+K"	36.948606
"840414"	504.207706	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-2H+K"	36.948606
"1563899"	504.207706	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+K-2H"	36.948606
"949594"	512.257294	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-H+HCOOH"	44.998194
"367812"	979.516401	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+HCOOH-H"	44.998201
"349511"	993.532051	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+Hac-H"	59.013851
"1497249"	526.272951	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Hac-H"	59.013851
"963698"	534.239251	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-H+NaCOOH"	66.980151
"115886"	502.228502	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+2Cl"	69.938804
"551074"	735.858052	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+2Cl"	69.938804
"1025340"	268.598952	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2Cl"	69.938804
"1244917"	546.177985	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Br"	78.918885
"1307367"	548.233972	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Cl+HCOOH"	80.974872
"1321579"	570.215929	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Cl+NaCOOH"	102.956829
"915924"	580.244686	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M-H+CF3COOH"	112.985586
"1297007"	616.221364	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Cl+CF3COOH"	148.962264
"1370794"	432.246424	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H-2H2O"	-35.012676
"1389388"	450.2564	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H-H2O"	-17.0027
"292355"	935.525476	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+H"	1.007276
"682590"	1402.784576	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+H"	1.007276
"1361128"	468.266376	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H"	1.007276
"128548"	468.266376	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+2H"	2.014552
"572483"	701.895926	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+2H"	2.014552
"1050033"	234.636826	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2H"	2.014552
"215745"	312.513342666667	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+3H"	3.021828
"644735"	468.266376	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+3H"	3.021828
"1162799"	156.760309333333	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+3H"	3.021828
"426863"	952.552023	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+NH4"	18.033823
"787129"	1419.811123	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+NH4"	18.033823
"1681629"	485.292923	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+NH4"	18.033823
"330193"	476.7796495	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+H+NH4"	19.041099
"723794"	710.4091995	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+H+NH4"	19.041099
"1483086"	243.1500995	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H+NH4"	19.041099
"396662"	957.507418	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+Na"	22.989218
"760574"	1424.766518	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+Na"	22.989218
"1606486"	490.248318	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Na"	22.989218
"321992"	479.257347	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+H+Na"	23.996494
"715507"	712.886897	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+H+Na"	23.996494
"1474801"	245.627797	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H+Na"	23.996494
"1065865"	164.087623333333	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2H+Na"	25.00377
"1271921"	500.292586	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+CH3OH+H"	33.033486
"390129"	973.481358	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+K"	38.963158
"753319"	1440.740458	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+K"	38.963158
"1554999"	506.222258	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+K"	38.963158
"311443"	487.244317	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+H+K"	39.970434
"703133"	720.873867	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+H+K"	39.970434
"1459509"	253.614767	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H+K"	39.970434
"248837"	976.552026	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+ACN+H"	42.033826
"1223494"	509.292926	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+ACN+H"	42.033826
"1207618"	255.150101	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+ACN+2H"	43.041102
"199030"	979.48936	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+2Na-H"	44.97116
"632394"	1446.74846	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+2Na-H"	44.97116
"1136264"	512.23026	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2Na-H"	44.97116
"180285"	490.248318	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+2Na"	45.978436
"622032"	723.877868	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+2Na"	45.978436
"1122257"	256.618768	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2Na"	45.978436
"1408333"	171.414937333333	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H+2Na"	46.985712
"1438990"	514.271846	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H+HCOOH"	47.012746
"225406"	495.28134	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+3H2O+2H"	56.04448
"1517846"	528.32389	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+IsoProp+H"	61.06479
"422639"	498.235288	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+Na+K"	61.952376
"783643"	731.864838	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+Na+K"	61.952376
"1678880"	264.605738	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Na+K"	61.952376
"262486"	998.533968	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+ACN+Na"	64.015768
"1239935"	531.274868	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+ACN+Na"	64.015768
"1724081"	531.298393	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+NH4+HCOOH"	64.039293
"1187976"	178.742251333333	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+3Na"	68.967654
"1660418"	536.253788	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Na+HCOOH"	68.994688
"168008"	1011.43724	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+2K-H"	76.91904
"608661"	1478.69634	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+2K-H"	76.91904
"1096090"	544.17814	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2K-H"	76.91904
"151082"	506.222258	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"2M+2K"	77.926316
"588819"	739.851808	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"3M+2K"	77.926316
"1075518"	272.592708	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2K"	77.926316
"1110914"	546.192692	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2K+H"	78.933592
"1346204"	546.280307	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+DMSO+H"	79.021207
"1007082"	550.319476	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2ACN+H"	83.060376
"1530677"	551.313108	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+IsoProp+Na+H"	84.054008
"990926"	275.663376	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+2ACN+2H"	84.067652
"1587615"	552.227728	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+K+HCOOH"	84.968628
"1417286"	582.259238	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+H+CF3COOH"	115.000138
"1150857"	296.176651	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+3ACN+2H"	125.094202
"1702596"	599.285785	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+NH4+CF3COOH"	132.026685
"1641527"	604.24118	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+Na+CF3COOH"	136.98208
"1573898"	620.21512	"C00397"	"Tobramycin;Nebramycin factor 6;3-Deoxykanamycin B"	"C18H37N5O9"	"467.2591"	"M+K+CF3COOH"	152.95602
"813012"	160.1	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M"	0
"984359"	141.08161	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H2O-H"	-19.01839
"67134"	105.726057333333	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-3H"	-3.021828
"507790"	159.092724	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-3H"	-3.021828
"889971"	52.3593906666667	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-3H"	-3.021828
"14380"	159.092724	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H"	-2.014552
"445919"	239.142724	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H"	-2.014552
"821169"	79.042724	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H"	-2.014552
"82984"	319.192724	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-H"	-1.007276
"527648"	479.292724	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-H"	-1.007276
"901076"	159.092724	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H"	-1.007276
"51076"	336.219271	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H+NH4"	16.019271
"496107"	496.319271	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H+NH4"	16.019271
"869533"	176.119271	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H+NH4"	16.019271
"44361"	341.174666	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H+Na"	20.974666
"485381"	501.274666	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H+Na"	20.974666
"860268"	181.074666	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H+Na"	20.974666
"1633693"	181.074666	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na-2H"	20.974666
"106331"	177.081063	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-H+Cl"	33.962126
"548806"	257.131063	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-H+Cl"	33.962126
"939405"	97.031063	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+Cl"	33.962126
"281248"	355.169402	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Cl"	34.969402
"672576"	515.269402	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+Cl"	34.969402
"1283884"	195.069402	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl"	34.969402
"27533"	357.148606	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H+K"	36.948606
"461629"	517.248606	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H+K"	36.948606
"837242"	197.048606	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H+K"	36.948606
"1564009"	197.048606	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K-2H"	36.948606
"951891"	205.098194	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+HCOOH"	44.998194
"367924"	365.198201	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+HCOOH-H"	44.998201
"351807"	379.213851	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Hac-H"	59.013851
"1499548"	219.113851	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Hac-H"	59.013851
"965996"	227.080151	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+NaCOOH"	66.980151
"115996"	195.069402	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2Cl"	69.938804
"551909"	275.119402	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2Cl"	69.938804
"1026538"	115.019402	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2Cl"	69.938804
"1247217"	239.018885	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Br"	78.918885
"1307477"	241.074872	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl+HCOOH"	80.974872
"1322419"	263.056829	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl+NaCOOH"	102.956829
"918220"	273.085586	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+CF3COOH"	112.985586
"1297117"	309.062264	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl+CF3COOH"	148.962264
"1370904"	125.087324	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H-2H2O"	-35.012676
"1396060"	143.0973	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H-H2O"	-17.0027
"294650"	321.207276	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H"	1.007276
"688169"	481.307276	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H"	1.007276
"1361238"	161.107276	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H"	1.007276
"134129"	161.107276	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2H"	2.014552
"571500"	241.157276	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2H"	2.014552
"1050142"	81.057276	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2H"	2.014552
"213668"	107.740609333333	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+3H"	3.021828
"645209"	161.107276	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+3H"	3.021828
"1163454"	54.3739426666667	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+3H"	3.021828
"427338"	338.233823	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+NH4"	18.033823
"787116"	498.333823	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+NH4"	18.033823
"1681437"	178.133823	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+NH4"	18.033823
"330421"	169.6205495	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H+NH4"	19.041099
"724389"	249.6705495	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H+NH4"	19.041099
"1485384"	89.5705495	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+NH4"	19.041099
"401877"	343.189218	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Na"	22.989218
"763965"	503.289218	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+Na"	22.989218
"1606596"	183.089218	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na"	22.989218
"323198"	172.098247	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H+Na"	23.996494
"716711"	252.148247	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H+Na"	23.996494
"1474911"	92.048247	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+Na"	23.996494
"1066701"	61.7012566666667	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2H+Na"	25.00377
"1272029"	193.133486	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+CH3OH+H"	33.033486
"390240"	359.163158	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+K"	38.963158
"754112"	519.263158	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+K"	38.963158
"1555110"	199.063158	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K"	38.963158
"311917"	180.085217	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H+K"	39.970434
"703243"	260.135217	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H+K"	39.970434
"1460956"	100.035217	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+K"	39.970434
"248582"	362.233826	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+ACN+H"	42.033826
"1224210"	202.133826	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+ACN+H"	42.033826
"1206634"	101.570551	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+ACN+2H"	43.041102
"197317"	365.17116	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2Na-H"	44.97116
"632140"	525.27116	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2Na-H"	44.97116
"1133093"	205.07116	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2Na-H"	44.97116
"177114"	183.089218	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2Na"	45.978436
"617768"	263.139218	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2Na"	45.978436
"1122367"	103.039218	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2Na"	45.978436
"1405891"	69.0285706666667	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+2Na"	46.985712
"1439100"	207.112746	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+HCOOH"	47.012746
"222598"	188.12224	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+3H2O+2H"	56.04448
"1519049"	221.16479	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+IsoProp+H"	61.06479
"419832"	191.076188	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Na+K"	61.952376
"783751"	271.126188	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+Na+K"	61.952376
"1679353"	111.026188	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na+K"	61.952376
"264783"	384.215768	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+ACN+Na"	64.015768
"1239558"	224.115768	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+ACN+Na"	64.015768
"1724919"	224.139293	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+NH4+HCOOH"	64.039293
"1189179"	76.3558846666667	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+3Na"	68.967654
"1658342"	229.094688	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na+HCOOH"	68.994688
"166296"	397.11904	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2K-H"	76.91904
"608771"	557.21904	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2K-H"	76.91904
"1096564"	237.01904	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2K-H"	76.91904
"152286"	199.063158	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2K"	77.926316
"592576"	279.113158	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2K"	77.926316
"1078545"	119.013158	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2K"	77.926316
"1101548"	239.033592	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2K+H"	78.933592
"1344129"	239.121207	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+DMSO+H"	79.021207
"1012659"	243.160376	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2ACN+H"	83.060376
"1525561"	244.154008	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+IsoProp+Na+H"	84.054008
"992859"	122.083826	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2ACN+2H"	84.067652
"1587479"	245.068628	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K+HCOOH"	84.968628
"1415574"	275.100138	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+CF3COOH"	115.000138
"1150967"	142.597101	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+3ACN+2H"	125.094202
"1705985"	292.126685	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+NH4+CF3COOH"	132.026685
"1644917"	297.08208	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na+CF3COOH"	136.98208
"1574008"	313.05602	"C00398"	"Tryptamine;3-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K+CF3COOH"	152.95602
"804373"	156.1514	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M"	0
"980095"	137.13301	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-H2O-H"	-19.01839
"67246"	103.093657333333	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M-3H"	-3.021828
"506806"	155.144124	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M-3H"	-3.021828
"886797"	51.0431906666667	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-3H"	-3.021828
"5375"	155.144124	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M-2H"	-2.014552
"447123"	233.219824	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M-2H"	-2.014552
"822008"	77.068424	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-2H"	-2.014552
"89291"	311.295524	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M-H"	-1.007276
"524111"	467.446924	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M-H"	-1.007276
"902280"	155.144124	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-H"	-1.007276
"53373"	328.322071	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M-2H+NH4"	16.019271
"495853"	484.473471	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M-2H+NH4"	16.019271
"869643"	172.170671	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-2H+NH4"	16.019271
"46054"	333.277466	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M-2H+Na"	20.974666
"484762"	489.428866	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M-2H+Na"	20.974666
"860378"	177.126066	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-2H+Na"	20.974666
"1628817"	177.126066	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Na-2H"	20.974666
"106441"	173.132463	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M-H+Cl"	33.962126
"542720"	251.208163	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M-H+Cl"	33.962126
"934048"	95.056763	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-H+Cl"	33.962126
"281967"	347.272202	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+Cl"	34.969402
"672687"	503.423602	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+Cl"	34.969402
"1282901"	191.120802	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Cl"	34.969402
"24362"	349.251406	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M-2H+K"	36.948606
"466112"	505.402806	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M-2H+K"	36.948606
"838446"	193.100006	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-2H+K"	36.948606
"1560842"	193.100006	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+K-2H"	36.948606
"947630"	201.149594	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-H+HCOOH"	44.998194
"368033"	357.301001	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+HCOOH-H"	44.998201
"350824"	371.316651	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+Hac-H"	59.013851
"1499658"	215.165251	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Hac-H"	59.013851
"962826"	223.131551	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-H+NaCOOH"	66.980151
"117203"	191.120802	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+2Cl"	69.938804
"550560"	269.196502	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+2Cl"	69.938804
"1024096"	113.045102	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2Cl"	69.938804
"1241854"	235.070285	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Br"	78.918885
"1307587"	237.126272	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Cl+HCOOH"	80.974872
"1330554"	259.108229	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Cl+NaCOOH"	102.956829
"925988"	269.136986	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M-H+CF3COOH"	112.985586
"1299415"	305.113664	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Cl+CF3COOH"	148.962264
"1371019"	121.138724	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H-2H2O"	-35.012676
"1395075"	139.1487	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H-H2O"	-17.0027
"295853"	313.310076	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+H"	1.007276
"682812"	469.461476	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+H"	1.007276
"1355150"	157.158676	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H"	1.007276
"128040"	157.158676	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+2H"	2.014552
"571611"	235.234376	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+2H"	2.014552
"1044785"	79.082976	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2H"	2.014552
"212685"	105.108209333333	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+3H"	3.021828
"654433"	157.158676	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+3H"	3.021828
"1165998"	53.0577426666667	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+3H"	3.021828
"427083"	330.336623	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+NH4"	18.033823
"789173"	486.488023	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+NH4"	18.033823
"1681530"	174.185223	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+NH4"	18.033823
"330167"	165.6719495	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+H+NH4"	19.041099
"727298"	243.7476495	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+H+NH4"	19.041099
"1484401"	87.5962495	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H+NH4"	19.041099
"401987"	335.292018	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+Na"	22.989218
"764075"	491.443418	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+Na"	22.989218
"1606706"	179.140618	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Na"	22.989218
"324400"	168.149647	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+H+Na"	23.996494
"719382"	246.225347	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+H+Na"	23.996494
"1474296"	90.073947	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H+Na"	23.996494
"1064987"	60.3850566666667	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2H+Na"	25.00377
"1270681"	189.184886	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+CH3OH+H"	33.033486
"391443"	351.265958	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+K"	38.963158
"754022"	507.417358	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+K"	38.963158
"1555389"	195.114558	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+K"	38.963158
"313244"	176.136617	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+H+K"	39.970434
"702260"	254.212317	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+H+K"	39.970434
"1460092"	98.060917	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H+K"	39.970434
"247600"	354.336626	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+ACN+H"	42.033826
"1222132"	198.185226	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+ACN+H"	42.033826
"1206746"	99.596251	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+ACN+2H"	43.041102
"197429"	357.27396	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+2Na-H"	44.97116
"631521"	513.42536	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+2Na-H"	44.97116
"1135025"	201.12256	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2Na-H"	44.97116
"184151"	179.140618	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+2Na"	45.978436
"622252"	257.216318	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+2Na"	45.978436
"1123572"	101.064918	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2Na"	45.978436
"1403814"	67.7123706666667	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H+2Na"	46.985712
"1441032"	203.164146	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H+HCOOH"	47.012746
"223801"	184.17364	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+3H2O+2H"	56.04448
"1522075"	217.21619	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+IsoProp+H"	61.06479
"423103"	187.127588	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+Na+K"	61.952376
"783864"	265.203288	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+Na+K"	61.952376
"1680557"	109.051888	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Na+K"	61.952376
"265257"	376.318568	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+ACN+Na"	64.015768
"1239788"	220.167168	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+ACN+Na"	64.015768
"1724664"	220.190693	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+NH4+HCOOH"	64.039293
"1190384"	75.0396846666667	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+3Na"	68.967654
"1661368"	225.146088	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Na+HCOOH"	68.994688
"169322"	389.22184	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+2K-H"	76.91904
"606328"	545.37324	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+2K-H"	76.91904
"1097768"	233.07044	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2K-H"	76.91904
"154219"	195.114558	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"2M+2K"	77.926316
"592322"	273.190258	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"3M+2K"	77.926316
"1079019"	117.038858	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2K"	77.926316
"1104575"	235.084992	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2K+H"	78.933592
"1345332"	235.172607	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+DMSO+H"	79.021207
"1012768"	239.211776	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2ACN+H"	83.060376
"1531987"	240.205408	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+IsoProp+Na+H"	84.054008
"995152"	120.109526	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+2ACN+2H"	84.067652
"1595124"	241.120028	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+K+HCOOH"	84.968628
"1422971"	271.151538	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+H+CF3COOH"	115.000138
"1153264"	140.622801	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+3ACN+2H"	125.094202
"1703906"	288.178085	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+NH4+CF3COOH"	132.026685
"1641747"	293.13348	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+Na+CF3COOH"	136.98208
"1582867"	309.10742	"C00400"	"(-)-Menthol;L-Menthol"	"C10H20O"	"156.1514"	"M+K+CF3COOH"	152.95602
"803391"	133.0375	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M"	0
"975834"	114.01911	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H2O-H"	-19.01839
"68450"	87.6843906666667	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-3H"	-3.021828
"508013"	132.030224	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-3H"	-3.021828
"882535"	43.3385573333333	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-3H"	-3.021828
"2326"	132.030224	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H"	-2.014552
"442858"	198.548974	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H"	-2.014552
"821754"	65.511474	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H"	-2.014552
"82840"	265.067724	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-H"	-1.007276
"523495"	398.105224	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-H"	-1.007276
"904577"	132.030224	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H"	-1.007276
"56037"	282.094271	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H+NH4"	16.019271
"493044"	415.131771	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H+NH4"	16.019271
"875223"	149.056771	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H+NH4"	16.019271
"45681"	287.049666	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H+Na"	20.974666
"484873"	420.087166	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H+Na"	20.974666
"861219"	154.012166	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H+Na"	20.974666
"1631117"	154.012166	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na-2H"	20.974666
"107891"	150.018563	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-H+Cl"	33.962126
"542830"	216.537313	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-H+Cl"	33.962126
"936345"	83.499813	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+Cl"	33.962126
"271621"	301.044402	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Cl"	34.969402
"665136"	434.081902	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+Cl"	34.969402
"1284102"	168.006902	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl"	34.969402
"24476"	303.023606	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H+K"	36.948606
"464037"	436.061106	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H+K"	36.948606
"839650"	169.986106	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H+K"	36.948606
"1559857"	169.986106	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K-2H"	36.948606
"951023"	178.035694	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+HCOOH"	44.998194
"365960"	311.073201	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+HCOOH-H"	44.998201
"350935"	325.088851	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Hac-H"	59.013851
"1499769"	192.051351	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Hac-H"	59.013851
"966217"	200.017651	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+NaCOOH"	66.980151
"115125"	168.006902	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2Cl"	69.938804
"550673"	234.525652	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2Cl"	69.938804
"1022385"	101.488152	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2Cl"	69.938804
"1245249"	211.956385	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Br"	78.918885
"1307697"	214.012372	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl+HCOOH"	80.974872
"1332851"	235.994329	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl+NaCOOH"	102.956829
"925005"	246.023086	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+CF3COOH"	112.985586
"1299525"	281.999764	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl+CF3COOH"	148.962264
"1378784"	98.024824	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H-2H2O"	-35.012676
"1387530"	116.0348	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H-H2O"	-17.0027
"291589"	267.082276	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H"	1.007276
"677819"	400.119776	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H"	1.007276
"1354532"	134.044776	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H"	1.007276
"127785"	134.044776	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2H"	2.014552
"568803"	200.563526	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2H"	2.014552
"1040154"	67.526026	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2H"	2.014552
"212795"	89.6989426666667	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+3H"	3.021828
"651263"	134.044776	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+3H"	3.021828
"1164282"	45.3531093333333	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+3H"	3.021828
"429383"	284.108823	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+NH4"	18.033823
"788920"	417.146323	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+NH4"	18.033823
"1681597"	151.071323	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+NH4"	18.033823
"333892"	142.5580495	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H+NH4"	19.041099
"726317"	209.0767995	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H+NH4"	19.041099
"1479043"	76.0392995	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+NH4"	19.041099
"398816"	289.064218	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Na"	22.989218
"767465"	422.101718	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+Na"	22.989218
"1610098"	156.026718	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na"	22.989218
"327431"	145.035747	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H+Na"	23.996494
"719124"	211.554497	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H+Na"	23.996494
"1475138"	78.516997	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+Na"	23.996494
"1065831"	52.6804233333333	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2H+Na"	25.00377
"1272251"	166.070986	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+CH3OH+H"	33.033486
"391919"	305.038158	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+K"	38.963158
"753279"	438.075658	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+K"	38.963158
"1554965"	172.000658	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K"	38.963158
"313232"	153.022717	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H+K"	39.970434
"706914"	219.541467	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H+K"	39.970434
"1460569"	86.503967	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+K"	39.970434
"249169"	308.108826	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+ACN+H"	42.033826
"1221879"	175.071326	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+ACN+H"	42.033826
"1200295"	88.039301	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+ACN+2H"	43.041102
"192073"	311.04616	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2Na-H"	44.97116
"636007"	444.08366	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2Na-H"	44.97116
"1137326"	178.00866	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2Na-H"	44.97116
"182439"	156.026718	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2Na"	45.978436
"622362"	222.545468	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2Na"	45.978436
"1117121"	89.507968	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2Na"	45.978436
"1402830"	60.0077373333333	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+2Na"	46.985712
"1439320"	180.050246	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+HCOOH"	47.012746
"226830"	161.05974	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+3H2O+2H"	56.04448
"1513801"	194.10229	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+IsoProp+H"	61.06479
"418592"	164.013688	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Na+K"	61.952376
"785558"	230.532438	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+Na+K"	61.952376
"1679210"	97.494938	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na+K"	61.952376
"265730"	330.090768	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+ACN+Na"	64.015768
"1239532"	197.053268	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+ACN+Na"	64.015768
"1728300"	197.076793	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+NH4+HCOOH"	64.039293
"1191950"	67.3350513333333	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+3Na"	68.967654
"1662573"	202.032188	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na+HCOOH"	68.994688
"170163"	342.99404	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2K-H"	76.91904
"610813"	476.03154	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2K-H"	76.91904
"1098850"	209.95654	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2K-H"	76.91904
"155060"	172.000658	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2K"	77.926316
"595348"	238.519408	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2K"	77.926316
"1081682"	105.481908	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2K"	77.926316
"1109789"	211.971092	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2K+H"	78.933592
"1346900"	212.058707	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+DMSO+H"	79.021207
"1015065"	216.097876	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2ACN+H"	83.060376
"1527723"	217.091508	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+IsoProp+Na+H"	84.054008
"1000731"	108.552576	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2ACN+2H"	84.067652
"1597421"	218.006128	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K+HCOOH"	84.968628
"1425268"	248.037638	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+CF3COOH"	115.000138
"1148995"	129.065851	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+3ACN+2H"	125.094202
"1699641"	265.064185	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+NH4+CF3COOH"	132.026685
"1637845"	270.01958	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na+CF3COOH"	136.98208
"1582977"	285.99352	"C00402"	"D-Aspartate;D-Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K+CF3COOH"	152.95602
"804597"	943.1626	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M"	0
"986882"	924.14421	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-H2O-H"	-19.01839
"72937"	627.767790666667	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M-3H"	-3.021828
"509216"	942.155324	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M-3H"	-3.021828
"891395"	313.380257333333	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-3H"	-3.021828
"3407"	942.155324	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M-2H"	-2.014552
"447340"	1413.736624	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M-2H"	-2.014552
"825142"	470.574024	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-2H"	-2.014552
"89147"	1885.317924	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M-H"	-1.007276
"526885"	2828.480524	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M-H"	-1.007276
"908942"	942.155324	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-H"	-1.007276
"60523"	1902.344471	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M-2H+NH4"	16.019271
"500814"	2845.507071	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M-2H+NH4"	16.019271
"876913"	959.181871	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-2H+NH4"	16.019271
"46762"	1907.299866	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M-2H+Na"	20.974666
"485715"	2850.462466	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M-2H+Na"	20.974666
"862304"	964.137266	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-2H+Na"	20.974666
"1633297"	964.137266	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Na-2H"	20.974666
"105570"	960.143663	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M-H+Cl"	33.962126
"547315"	1431.724963	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M-H+Cl"	33.962126
"941687"	488.562363	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-H+Cl"	33.962126
"280237"	1921.294602	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+Cl"	34.969402
"671813"	2864.457202	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+Cl"	34.969402
"1278749"	978.132002	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Cl"	34.969402
"25676"	1923.273806	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M-2H+K"	36.948606
"468518"	2866.436406	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M-2H+K"	36.948606
"837573"	980.111206	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-2H+K"	36.948606
"1561062"	980.111206	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+K-2H"	36.948606
"954413"	988.160794	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-H+HCOOH"	44.998194
"367162"	1931.323401	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+HCOOH-H"	44.998201
"352139"	1945.339051	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+Hac-H"	59.013851
"1499878"	1002.176451	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Hac-H"	59.013851
"965235"	1010.142751	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-H+NaCOOH"	66.980151
"117422"	978.132002	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+2Cl"	69.938804
"558076"	1449.713302	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+2Cl"	69.938804
"1027969"	506.550702	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2Cl"	69.938804
"1250828"	1022.081485	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Br"	78.918885
"1314371"	1024.137472	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Cl+HCOOH"	80.974872
"1331868"	1046.119429	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Cl+NaCOOH"	102.956829
"916364"	1056.148186	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M-H+CF3COOH"	112.985586
"1298546"	1092.124864	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Cl+CF3COOH"	148.962264
"1377800"	908.149924	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H-2H2O"	-35.012676
"1384360"	926.1599	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H-H2O"	-17.0027
"292800"	1887.332476	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+H"	1.007276
"676592"	2830.495076	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+H"	1.007276
"1352819"	944.169876	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H"	1.007276
"127528"	944.169876	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+2H"	2.014552
"575114"	1415.751176	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+2H"	2.014552
"1046099"	472.588576	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2H"	2.014552
"214000"	629.782342666667	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+3H"	3.021828
"646636"	944.169876	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+3H"	3.021828
"1165490"	315.394809333333	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+3H"	3.021828
"427669"	1904.359023	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+NH4"	18.033823
"792675"	2847.521623	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+NH4"	18.033823
"1687912"	961.196423	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+NH4"	18.033823
"331083"	952.6831495	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+H+NH4"	19.041099
"727514"	1424.2644495	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+H+NH4"	19.041099
"1483525"	481.1018495	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H+NH4"	19.041099
"402210"	1909.314418	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+Na"	22.989218
"767588"	2852.477018	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+Na"	22.989218
"1616415"	966.151818	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Na"	22.989218
"328643"	955.160847	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+H+Na"	23.996494
"719970"	1426.742147	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+H+Na"	23.996494
"1475248"	483.579547	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H+Na"	23.996494
"1065576"	322.722123333333	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2H+Na"	25.00377
"1271265"	976.196086	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+CH3OH+H"	33.033486
"391907"	1925.288358	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+K"	38.963158
"754081"	2868.450958	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+K"	38.963158
"1553129"	982.125758	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+K"	38.963158
"314120"	963.147817	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+H+K"	39.970434
"706495"	1434.729117	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+H+K"	39.970434
"1460560"	491.566517	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H+K"	39.970434
"250134"	1928.359026	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+ACN+H"	42.033826
"1222719"	985.196426	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+ACN+H"	42.033826
"1206966"	493.101851	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+ACN+2H"	43.041102
"201294"	1931.29636	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+2Na-H"	44.97116
"636118"	2874.45896	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+2Na-H"	44.97116
"1140716"	988.13376	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2Na-H"	44.97116
"184735"	966.151818	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+2Na"	45.978436
"625025"	1437.733118	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+2Na"	45.978436
"1125978"	494.570518	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2Na"	45.978436
"1412781"	330.049437333333	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H+2Na"	46.985712
"1435057"	990.175346	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H+HCOOH"	47.012746
"229128"	971.18484	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+3H2O+2H"	56.04448
"1519015"	1004.22739	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+IsoProp+H"	61.06479
"423088"	974.138788	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+Na+K"	61.952376
"781533"	1445.720088	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+Na+K"	61.952376
"1677499"	502.557488	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Na+K"	61.952376
"265475"	1950.340968	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+ACN+Na"	64.015768
"1237458"	1007.178368	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+ACN+Na"	64.015768
"1724157"	1007.201893	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+NH4+HCOOH"	64.039293
"1192671"	337.376751333333	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+3Na"	68.967654
"1662320"	1012.157288	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Na+HCOOH"	68.994688
"170638"	1963.24424	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+2K-H"	76.91904
"609105"	2906.40684	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+2K-H"	76.91904
"1097263"	1020.08164	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2K-H"	76.91904
"154808"	982.125758	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"2M+2K"	77.926316
"591450"	1453.707058	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"3M+2K"	77.926316
"1079606"	510.544458	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2K"	77.926316
"1110993"	1022.096192	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2K+H"	78.933592
"1348470"	1022.183807	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+DMSO+H"	79.021207
"1015907"	1026.222976	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2ACN+H"	83.060376
"1531843"	1027.216608	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+IsoProp+Na+H"	84.054008
"994285"	513.615126	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+2ACN+2H"	84.067652
"1592068"	1028.131228	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+K+HCOOH"	84.968628
"1419914"	1058.162738	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+H+CF3COOH"	115.000138
"1153486"	534.128401	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+3ACN+2H"	125.094202
"1710699"	1075.189285	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+NH4+CF3COOH"	132.026685
"1648536"	1080.14468	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+Na+CF3COOH"	136.98208
"1583091"	1096.11862	"C00406"	"Feruloyl-CoA;trans-Feruloyl-CoA"	"C31H44N7O19P3S"	"943.1626"	"M+K+CF3COOH"	152.95602
"802397"	131.0946	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M"	0
"975683"	112.07621	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"64292"	86.389124	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"508227"	130.087324	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"888225"	42.690924	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"2423"	130.087324	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"444170"	195.634624	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"818083"	64.540024	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"86341"	261.181924	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"524808"	392.276524	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"906983"	130.087324	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"60875"	278.208471	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"499828"	409.303071	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"876536"	147.113871	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"45781"	283.163866	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"485338"	414.258466	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"861807"	152.069266	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1631707"	152.069266	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"106773"	148.075663	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"547425"	213.622963	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"940216"	82.528363	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"279861"	297.158602	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"673016"	428.253202	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1277766"	166.064002	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"21414"	299.137806	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"468628"	430.232406	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"835497"	168.043206	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1560079"	168.043206	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"945776"	176.092794	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"365081"	307.187401	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"350060"	321.203051	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1495612"	190.108451	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"963155"	198.074751	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"115345"	166.064002	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"550246"	231.611302	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1028079"	100.516702	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1248751"	210.013485	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1314481"	212.069472	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1330885"	234.051429	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"914651"	244.080186	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1292819"	280.056864	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1371346"	96.081924	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1386288"	114.0919	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"294003"	263.196476	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"678768"	394.291076	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1352442"	132.101876	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"128365"	132.101876	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"567927"	197.649176	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1046209"	66.554576	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"210830"	88.403676	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"645650"	132.101876	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1164015"	44.705476	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"425097"	280.223023	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"787679"	411.317623	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1682185"	149.128423	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"330827"	140.6151495	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"726166"	206.1624495	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1483635"	75.0678495	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"402320"	285.178418	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"766970"	416.273018	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1615069"	154.083818	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"327294"	143.092847	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"720444"	208.640147	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1474993"	77.545547	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1067873"	52.03279	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1271374"	164.128086	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"392267"	301.152358	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"753701"	432.246958	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1553360"	170.057758	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"314067"	151.079817	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"706849"	216.627117	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1460304"	85.532517	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"249757"	304.223026	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1222708"	173.128426	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1207075"	87.067851	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"199945"	307.16036	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"635135"	438.25496	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1137546"	176.06576	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"186304"	154.083818	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"624770"	219.631118	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1128275"	88.536518	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1413707"	59.360104	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1437353"	178.107346	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"227052"	159.11684	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1519489"	192.15939	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"423199"	162.070788	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"782736"	227.618088	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1679068"	96.523488	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"266921"	326.204968	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1239753"	195.110368	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1726817"	195.133893	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1190715"	66.687418	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1663158"	200.089288	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"171112"	339.10824	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"611036"	470.20284	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1097008"	208.01364	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"154918"	170.057758	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"590830"	235.605058	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1080445"	104.510458	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1107821"	210.028192	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1346757"	210.115807	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1016745"	214.154976	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1530130"	215.148608	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"996581"	107.581126	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1593271"	216.063228	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1421117"	246.094738	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1153596"	128.094401	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1708623"	263.121285	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1648646"	268.07668	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1583201"	284.05062	"C00407"	"L-Isoleucine;2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"810285"	129.079	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M"	0
"980536"	110.06061	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H2O-H"	-19.01839
"70964"	85.0453906666667	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-3H"	-3.021828
"515992"	128.071724	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-3H"	-3.021828
"888335"	42.0190573333333	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-3H"	-3.021828
"1805"	128.071724	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H"	-2.014552
"443187"	192.611224	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H"	-2.014552
"820989"	63.532224	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H"	-2.014552
"86451"	257.150724	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-H"	-1.007276
"527105"	386.229724	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-H"	-1.007276
"904907"	128.071724	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H"	-1.007276
"59283"	274.177271	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H+NH4"	16.019271
"499573"	403.256271	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H+NH4"	16.019271
"875553"	145.098271	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H+NH4"	16.019271
"46501"	279.132666	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H+Na"	20.974666
"486346"	408.211666	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H+Na"	20.974666
"863253"	150.053666	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H+Na"	20.974666
"1632908"	150.053666	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na-2H"	20.974666
"107613"	146.060063	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-H+Cl"	33.962126
"548630"	210.599563	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-H+Cl"	33.962126
"941786"	81.520563	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+Cl"	33.962126
"280335"	293.127402	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Cl"	34.969402
"675316"	422.206402	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+Cl"	34.969402
"1281158"	164.048402	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl"	34.969402
"30886"	295.106606	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H+K"	36.948606
"468739"	424.185606	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H+K"	36.948606
"837795"	166.027606	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H+K"	36.948606
"1563469"	166.027606	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K-2H"	36.948606
"946979"	174.077194	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+HCOOH"	44.998194
"366286"	303.156201	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+HCOOH-H"	44.998201
"351264"	317.171851	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Hac-H"	59.013851
"1495723"	188.092851	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Hac-H"	59.013851
"963265"	196.059151	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+NaCOOH"	66.980151
"118735"	164.048402	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2Cl"	69.938804
"552828"	228.587902	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2Cl"	69.938804
"1031469"	99.508902	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2Cl"	69.938804
"1251048"	207.997885	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Br"	78.918885
"1312404"	210.053872	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl+HCOOH"	80.974872
"1328808"	232.035829	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl+NaCOOH"	102.956829
"915856"	242.064586	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+CF3COOH"	112.985586
"1295481"	278.041264	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl+CF3COOH"	148.962264
"1371456"	94.066324	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H-2H2O"	-35.012676
"1383847"	112.0763	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H-H2O"	-17.0027
"297032"	259.165276	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H"	1.007276
"682160"	388.244276	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H"	1.007276
"1353402"	130.086276	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H"	1.007276
"127747"	130.086276	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2H"	2.014552
"569496"	194.625776	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2H"	2.014552
"1044134"	65.546776	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2H"	2.014552
"208388"	87.0599426666667	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+3H"	3.021828
"646854"	130.086276	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+3H"	3.021828
"1165706"	44.0336093333333	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+3H"	3.021828
"426060"	276.191823	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+NH4"	18.033823
"788883"	405.270823	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+NH4"	18.033823
"1682172"	147.112823	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+NH4"	18.033823
"331665"	138.5995495	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H+NH4"	19.041099
"725182"	203.1390495	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H+NH4"	19.041099
"1482652"	74.0600495	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+NH4"	19.041099
"400240"	281.147218	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Na"	22.989218
"768539"	410.226218	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+Na"	22.989218
"1617365"	152.068218	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na"	22.989218
"327769"	141.077247	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H+Na"	23.996494
"722256"	205.616747	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H+Na"	23.996494
"1476692"	76.537747	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+Na"	23.996494
"1068195"	51.3609233333333	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2H+Na"	25.00377
"1272725"	162.112486	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+CH3OH+H"	33.033486
"392368"	297.121158	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+K"	38.963158
"753849"	426.200158	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+K"	38.963158
"1553103"	168.042158	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K"	38.963158
"313804"	149.064217	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H+K"	39.970434
"705619"	213.603717	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H+K"	39.970434
"1459441"	84.524717	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+K"	39.970434
"250227"	300.191826	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+ACN+H"	42.033826
"1221113"	171.112826	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+ACN+H"	42.033826
"1207183"	86.060051	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+ACN+2H"	43.041102
"197869"	303.12916	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2Na-H"	44.97116
"631597"	432.20816	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2Na-H"	44.97116
"1140936"	174.05016	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2Na-H"	44.97116
"179852"	152.068218	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2Na"	45.978436
"623785"	216.607718	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2Na"	45.978436
"1118907"	87.528718	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2Na"	45.978436
"1405347"	58.6882373333333	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+2Na"	46.985712
"1433090"	176.091746	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+HCOOH"	47.012746
"228255"	157.10124	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+3H2O+2H"	56.04448
"1521787"	190.14379	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+IsoProp+H"	61.06479
"424002"	160.055188	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Na+K"	61.952376
"784673"	224.594688	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+Na+K"	61.952376
"1680640"	95.515688	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na+K"	61.952376
"266429"	322.173768	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+ACN+Na"	64.015768
"1238775"	193.094768	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+ACN+Na"	64.015768
"1727420"	193.118293	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+NH4+HCOOH"	64.039293
"1193750"	66.0155513333333	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+3Na"	68.967654
"1665094"	198.073688	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na+HCOOH"	68.994688
"171956"	335.07704	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2K-H"	76.91904
"611758"	464.15604	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2K-H"	76.91904
"1098457"	205.99804	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2K-H"	76.91904
"155517"	168.042158	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2K"	77.926316
"593856"	232.581658	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2K"	77.926316
"1081284"	103.502658	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2K"	77.926316
"1110482"	208.012592	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2K+H"	78.933592
"1347959"	208.100207	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+DMSO+H"	79.021207
"1015396"	212.139376	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2ACN+H"	83.060376
"1533520"	213.133008	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+IsoProp+Na+H"	84.054008
"995598"	106.573326	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2ACN+2H"	84.067652
"1592288"	214.047628	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K+HCOOH"	84.968628
"1421227"	244.079138	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+CF3COOH"	115.000138
"1159902"	127.086601	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+3ACN+2H"	125.094202
"1707639"	261.105685	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+NH4+CF3COOH"	132.026685
"1646570"	266.06108	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na+CF3COOH"	136.98208
"1583311"	282.03502	"C00408"	"L-Pipecolate;Pipecolinic acid;Pipecolic acid;2-Piperidinecarboxylic acid;(S)-Piperidine-2-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K+CF3COOH"	152.95602
"803834"	48.0034	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M"	0
"974374"	28.98501	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-H2O-H"	-19.01839
"63419"	30.9949906666667	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M-3H"	-3.021828
"504074"	46.996124	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M-3H"	-3.021828
"888445"	14.9938573333333	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-3H"	-3.021828
"457"	46.996124	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M-2H"	-2.014552
"441110"	70.997824	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M-2H"	-2.014552
"822192"	22.994424	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-2H"	-2.014552
"79998"	94.999524	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M-H"	-1.007276
"527215"	143.002924	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M-H"	-1.007276
"899550"	46.996124	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-H"	-1.007276
"60486"	112.026071	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M-2H+NH4"	16.019271
"497860"	160.029471	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M-2H+NH4"	16.019271
"878093"	64.022671	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-2H+NH4"	16.019271
"46894"	116.981466	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M-2H+Na"	20.974666
"486656"	164.984866	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M-2H+Na"	20.974666
"862390"	68.978066	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-2H+Na"	20.974666
"1631925"	68.978066	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Na-2H"	20.974666
"104807"	64.984463	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M-H+Cl"	33.962126
"547646"	88.986163	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M-H+Cl"	33.962126
"941529"	40.982763	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-H+Cl"	33.962126
"279716"	130.976202	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+Cl"	34.969402
"674328"	178.979602	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+Cl"	34.969402
"1283455"	82.972802	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Cl"	34.969402
"29656"	132.955406	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M-2H+K"	36.948606
"468849"	180.958806	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M-2H+K"	36.948606
"836812"	84.952006	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-2H+K"	36.948606
"1562485"	84.952006	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+K-2H"	36.948606
"948183"	93.001594	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-H+HCOOH"	44.998194
"364209"	141.005001	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+HCOOH-H"	44.998201
"351374"	155.020651	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+Hac-H"	59.013851
"1499112"	107.017251	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Hac-H"	59.013851
"963375"	114.983551	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-H+NaCOOH"	66.980151
"118845"	82.972802	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+2Cl"	69.938804
"552938"	106.974502	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+2Cl"	69.938804
"1028299"	58.971102	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2Cl"	69.938804
"1245690"	126.922285	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Br"	78.918885
"1315793"	128.978272	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Cl+HCOOH"	80.974872
"1328916"	150.960229	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Cl+NaCOOH"	102.956829
"914143"	160.988986	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M-H+CF3COOH"	112.985586
"1295591"	196.965664	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Cl+CF3COOH"	148.962264
"1372659"	12.990724	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H-2H2O"	-35.012676
"1384321"	31.0007	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H-H2O"	-17.0027
"286564"	97.014076	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+H"	1.007276
"678619"	145.017476	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+H"	1.007276
"1356426"	49.010676	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H"	1.007276
"128221"	49.010676	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+2H"	2.014552
"566807"	73.012376	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+2H"	2.014552
"1045337"	25.008976	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2H"	2.014552
"208862"	33.0095426666667	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+3H"	3.021828
"647693"	49.010676	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+3H"	3.021828
"1165087"	17.0084093333333	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+3H"	3.021828
"426169"	114.040623	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+NH4"	18.033823
"786436"	162.044023	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+NH4"	18.033823
"1682769"	66.037223	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+NH4"	18.033823
"331776"	57.5239495	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+H+NH4"	19.041099
"725293"	81.5256495	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+H+NH4"	19.041099
"1482762"	33.5222495	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H+NH4"	19.041099
"397068"	118.996018	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+Na"	22.989218
"768648"	166.999418	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+Na"	22.989218
"1617475"	70.992618	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Na"	22.989218
"328609"	60.001647	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+H+Na"	23.996494
"721393"	84.003347	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+H+Na"	23.996494
"1476672"	35.999947	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H+Na"	23.996494
"1068413"	24.3357233333333	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2H+Na"	25.00377
"1272670"	81.036886	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+CH3OH+H"	33.033486
"392803"	134.969958	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+K"	38.963158
"754125"	182.973358	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+K"	38.963158
"1553576"	86.966558	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+K"	38.963158
"311483"	67.988617	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+H+K"	39.970434
"706905"	91.990317	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+H+K"	39.970434
"1457724"	43.986917	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H+K"	39.970434
"250215"	138.040626	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+ACN+H"	42.033826
"1221223"	90.037226	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+ACN+H"	42.033826
"1204013"	45.522251	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+ACN+2H"	43.041102
"195792"	140.97796	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+2Na-H"	44.97116
"631707"	188.98136	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+2Na-H"	44.97116
"1141046"	92.97456	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2Na-H"	44.97116
"179962"	70.992618	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+2Na"	45.978436
"626082"	94.994318	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+2Na"	45.978436
"1124120"	46.990918	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2Na"	45.978436
"1405457"	31.6630373333333	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H+2Na"	46.985712
"1431741"	95.016146	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H+HCOOH"	47.012746
"225447"	76.02564	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+3H2O+2H"	56.04448
"1513510"	109.06819	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+IsoProp+H"	61.06479
"423422"	78.979588	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+Na+K"	61.952376
"782958"	102.981288	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+Na+K"	61.952376
"1679291"	54.977888	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Na+K"	61.952376
"263986"	160.022568	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+ACN+Na"	64.015768
"1239612"	112.019168	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+ACN+Na"	64.015768
"1725220"	112.042693	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+NH4+HCOOH"	64.039293
"1193369"	38.9903513333333	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+3Na"	68.967654
"1665084"	116.998088	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Na+HCOOH"	68.994688
"172061"	172.92584	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+2K-H"	76.91904
"610167"	220.92924	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+2K-H"	76.91904
"1098931"	124.92244	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2K-H"	76.91904
"156233"	86.966558	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"2M+2K"	77.926316
"591778"	110.968258	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"3M+2K"	77.926316
"1081757"	62.964858	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2K"	77.926316
"1110592"	126.936992	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2K+H"	78.933592
"1347705"	127.024607	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+DMSO+H"	79.021207
"1015506"	131.063776	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2ACN+H"	83.060376
"1531444"	132.057408	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+IsoProp+Na+H"	84.054008
"995708"	66.035526	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+2ACN+2H"	84.067652
"1592398"	132.972028	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+K+HCOOH"	84.968628
"1420244"	163.003538	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+H+CF3COOH"	115.000138
"1160376"	86.548801	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+3ACN+2H"	125.094202
"1711029"	180.030085	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+NH4+CF3COOH"	132.026685
"1647773"	184.98548	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+Na+CF3COOH"	136.98208
"1583421"	200.95942	"C00409"	"Methanethiol;Methylmercaptan"	"CH4S"	"48.0034"	"M+K+CF3COOH"	152.95602
"801642"	314.2246	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M"	0
"974797"	295.20621	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"63567"	208.475790666667	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"503454"	313.217324	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"888555"	103.734257333333	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"1661"	313.217324	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"441220"	470.329624	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"819386"	156.105024	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"82295"	627.441924	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"529511"	941.666524	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"904032"	313.217324	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"60596"	644.468471	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"497970"	958.693071	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"878203"	330.243871	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"46234"	649.423866	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"486889"	963.648466	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"862501"	335.199266	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1631306"	335.199266	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"107469"	331.205663	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"548122"	488.317963	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"942248"	174.093363	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"280191"	663.418602	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"674074"	977.643202	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1281378"	349.194002	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"25026"	665.397806	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"468595"	979.622406	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"840201"	351.173206	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1563689"	351.173206	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"946105"	359.222794	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"364320"	673.447401	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"349298"	687.463051	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1494850"	373.238451	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"963485"	381.204751	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"115675"	349.194002	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"554141"	506.306302	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1028409"	192.081702	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1245800"	393.143485	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1315903"	395.199472	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1329026"	417.181429	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"913889"	427.210186	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1290960"	463.186864	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1371676"	279.211924	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1383824"	297.2219	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"283390"	629.456476	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"677272"	943.681076	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1353620"	315.231876	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"128697"	315.231876	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"566268"	472.344176	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1045447"	158.119576	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"211160"	210.490342666667	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"648534"	315.231876	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1165196"	105.748809333333	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"427739"	646.483023	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"786343"	960.707623	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1682515"	332.258423	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"331522"	323.7451495	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"725403"	480.8574495	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1480685"	166.6328495	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"396085"	651.438418	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"767300"	965.663018	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1617950"	337.213818	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"329327"	326.222847	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"720769"	483.335147	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1476295"	169.110547	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1068042"	113.076123333333	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1272640"	347.258086	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"392771"	667.412358	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"752730"	981.636958	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1551134"	353.187758	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"307218"	334.209817	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"707071"	491.322117	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1455647"	177.097517	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"249357"	670.483026	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1223033"	356.258426	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1205214"	178.632851	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"200273"	673.42036	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"631086"	987.64496	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1141154"	359.19576	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"183351"	337.213818	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"624005"	494.326118	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1121314"	180.101518	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1404838"	120.403437333333	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1432579"	361.237346	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"223370"	342.24684	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1513620"	375.28939	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"423776"	345.200788	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"784768"	502.313088	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1680130"	188.088488	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"265187"	692.464968	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1239722"	378.240368	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1726423"	378.263893	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1193967"	127.730751333333	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1665402"	383.219288	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"171808"	705.36824	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"611857"	1019.59284	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1099286"	391.14364	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"156102"	353.187758	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"594440"	510.300058	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1082233"	196.075458	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1110702"	393.158192	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1347451"	393.245807	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1015616"	397.284976	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1531554"	398.278608	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"996911"	199.146126	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1593601"	399.193228	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1421447"	429.224738	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1160122"	219.659401	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1711139"	446.251285	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1648976"	451.20668	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1583531"	467.18062	"C00410"	"Progesterone;4-Pregnene-320-dione"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"804054"	973.1731	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M"	0
"976489"	954.15471	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H2O-H"	-19.01839
"65825"	647.774790666667	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-3H"	-3.021828
"507572"	972.165824	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-3H"	-3.021828
"887572"	323.383757333333	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-3H"	-3.021828
"1771"	972.165824	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H"	-2.014552
"442423"	1458.752374	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H"	-2.014552
"819496"	485.579274	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H"	-2.014552
"81312"	1945.338924	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-H"	-1.007276
"527434"	2918.512024	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-H"	-1.007276
"904142"	972.165824	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H"	-1.007276
"60706"	1962.365471	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H+NH4"	16.019271
"498080"	2935.538571	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H+NH4"	16.019271
"875882"	989.192371	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H+NH4"	16.019271
"46833"	1967.320866	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H+Na"	20.974666
"486801"	2940.493966	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H+Na"	20.974666
"862734"	994.147766	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H+Na"	20.974666
"1632025"	994.147766	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na-2H"	20.974666
"108187"	990.154163	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-H+Cl"	33.962126
"547501"	1476.740713	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-H+Cl"	33.962126
"941508"	503.567613	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+Cl"	33.962126
"279815"	1981.315602	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Cl"	34.969402
"673455"	2954.488702	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+Cl"	34.969402
"1283674"	1008.142502	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl"	34.969402
"27323"	1983.294806	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H+K"	36.948606
"467976"	2956.467906	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H+K"	36.948606
"840311"	1010.121706	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H+K"	36.948606
"1562706"	1010.121706	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K-2H"	36.948606
"947309"	1018.171294	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+HCOOH"	44.998194
"364430"	1991.344401	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+HCOOH-H"	44.998201
"352688"	2005.360051	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Hac-H"	59.013851
"1494230"	1032.186951	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Hac-H"	59.013851
"961407"	1040.153251	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+NaCOOH"	66.980151
"112501"	1008.142502	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2Cl"	69.938804
"554250"	1494.729052	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2Cl"	69.938804
"1025234"	521.555952	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2Cl"	69.938804
"1243717"	1052.091985	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Br"	78.918885
"1316013"	1054.147972	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl+HCOOH"	80.974872
"1330230"	1076.129929	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl+NaCOOH"	102.956829
"913270"	1086.158686	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+CF3COOH"	112.985586
"1291435"	1122.135364	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl+CF3COOH"	148.962264
"1371785"	938.160424	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H-2H2O"	-35.012676
"1384906"	956.1704	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H-H2O"	-17.0027
"285687"	1947.353476	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H"	1.007276
"678839"	2920.526576	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H"	1.007276
"1353727"	974.180376	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H"	1.007276
"126739"	974.180376	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2H"	2.014552
"566906"	1460.766926	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2H"	2.014552
"1046650"	487.593826	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2H"	2.014552
"211270"	649.789342666667	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+3H"	3.021828
"649372"	974.180376	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+3H"	3.021828
"1165307"	325.398309333333	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+3H"	3.021828
"426755"	1964.380023	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+NH4"	18.033823
"787141"	2937.553123	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+NH4"	18.033823
"1683354"	991.206923	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+NH4"	18.033823
"331389"	982.6936495	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H+NH4"	19.041099
"725878"	1469.2801995	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H+NH4"	19.041099
"1480795"	496.1070995	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+NH4"	19.041099
"397288"	1969.335418	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Na"	22.989218
"768506"	2942.508518	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+Na"	22.989218
"1616844"	996.162318	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na"	22.989218
"327613"	985.171347	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H+Na"	23.996494
"720156"	1471.757897	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H+Na"	23.996494
"1474341"	498.584797	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+Na"	23.996494
"1066616"	332.725623333333	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2H+Na"	25.00377
"1270965"	1006.206586	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+CH3OH+H"	33.033486
"391243"	1985.309358	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+K"	38.963158
"752477"	2958.482458	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+K"	38.963158
"1552338"	1012.136258	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K"	38.963158
"309516"	993.158317	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H+K"	39.970434
"705465"	1479.744867	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H+K"	39.970434
"1457580"	506.571767	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+K"	39.970434
"248010"	1988.380026	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+ACN+H"	42.033826
"1222901"	1015.206926	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+ACN+H"	42.033826
"1205324"	508.107101	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+ACN+2H"	43.041102
"202570"	1991.31736	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2Na-H"	44.97116
"632291"	2964.49046	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2Na-H"	44.97116
"1143451"	1018.14426	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2Na-H"	44.97116
"187353"	996.162318	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2Na"	45.978436
"620835"	1482.748868	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2Na"	45.978436
"1121424"	509.575768	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2Na"	45.978436
"1404584"	340.052937333333	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+2Na"	46.985712
"1434877"	1020.185846	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+HCOOH"	47.012746
"222021"	1001.19534	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+3H2O+2H"	56.04448
"1514459"	1034.23789	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+IsoProp+H"	61.06479
"422912"	1004.149288	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Na+K"	61.952376
"784635"	1490.735838	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+Na+K"	61.952376
"1679507"	517.562738	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na+K"	61.952376
"264933"	2010.361968	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+ACN+Na"	64.015768
"1239832"	1037.188868	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+ACN+Na"	64.015768
"1726168"	1037.212393	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+NH4+HCOOH"	64.039293
"1192980"	347.380251333333	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+3Na"	68.967654
"1664699"	1042.167788	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na+HCOOH"	68.994688
"172408"	2023.26524	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2K-H"	76.91904
"611965"	2996.43834	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2K-H"	76.91904
"1099031"	1050.09214	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2K-H"	76.91904
"156695"	1012.136258	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2K"	77.926316
"591999"	1498.722808	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2K"	77.926316
"1076511"	525.549708	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2K"	77.926316
"1108625"	1052.106692	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2K+H"	78.933592
"1345009"	1052.194307	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+DMSO+H"	79.021207
"1015726"	1056.233476	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2ACN+H"	83.060376
"1532757"	1057.227108	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+IsoProp+Na+H"	84.054008
"997021"	528.620376	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2ACN+2H"	84.067652
"1593711"	1058.141728	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K+HCOOH"	84.968628
"1422650"	1088.173238	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+CF3COOH"	115.000138
"1160597"	549.133651	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+3ACN+2H"	125.094202
"1711249"	1105.199785	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+NH4+CF3COOH"	132.026685
"1649087"	1110.15518	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na+CF3COOH"	136.98208
"1583641"	1126.12912	"C00411"	"Sinapoyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K+CF3COOH"	152.95602
"804164"	1033.3762	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M"	0
"974900"	1014.35781	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-H2O-H"	-19.01839
"63750"	687.910190666667	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M-3H"	-3.021828
"504403"	1032.368924	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M-3H"	-3.021828
"882211"	343.451457333333	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-3H"	-3.021828
"909"	1032.368924	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M-2H"	-2.014552
"443627"	1549.057024	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M-2H"	-2.014552
"820699"	515.680824	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-2H"	-2.014552
"81419"	2065.745124	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M-H"	-1.007276
"525357"	3099.121324	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M-H"	-1.007276
"904252"	1032.368924	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-H"	-1.007276
"60816"	2082.771671	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M-2H+NH4"	16.019271
"498190"	3116.147871	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M-2H+NH4"	16.019271
"875992"	1049.395471	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-2H+NH4"	16.019271
"46821"	2087.727066	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M-2H+Na"	20.974666
"486139"	3121.103266	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M-2H+Na"	20.974666
"862716"	1054.350866	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-2H+Na"	20.974666
"1632257"	1054.350866	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Na-2H"	20.974666
"108051"	1050.357263	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M-H+Cl"	33.962126
"546880"	1567.045363	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M-H+Cl"	33.962126
"941010"	533.669163	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-H+Cl"	33.962126
"281994"	2101.721802	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+Cl"	34.969402
"671377"	3135.098002	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+Cl"	34.969402
"1278317"	1068.345602	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Cl"	34.969402
"27433"	2103.701006	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M-2H+K"	36.948606
"465899"	3137.077206	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M-2H+K"	36.948606
"843700"	1070.324806	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-2H+K"	36.948606
"1557349"	1070.324806	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+K-2H"	36.948606
"946325"	1078.374394	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-H+HCOOH"	44.998194
"362353"	2111.750601	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+HCOOH-H"	44.998201
"345869"	2125.766251	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+Hac-H"	59.013851
"1492875"	1092.390051	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Hac-H"	59.013851
"959207"	1100.356351	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-H+NaCOOH"	66.980151
"112975"	1068.345602	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+2Cl"	69.938804
"550468"	1585.033702	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+2Cl"	69.938804
"1022063"	551.657502	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2Cl"	69.938804
"1242005"	1112.295085	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Br"	78.918885
"1312843"	1114.351072	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Cl+HCOOH"	80.974872
"1325966"	1136.333029	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Cl+NaCOOH"	102.956829
"913379"	1146.361786	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M-H+CF3COOH"	112.985586
"1290087"	1182.338464	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Cl+CF3COOH"	148.962264
"1371895"	998.363524	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H-2H2O"	-35.012676
"1382821"	1016.3735	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H-H2O"	-17.0027
"284216"	2067.759676	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+H"	1.007276
"677126"	3101.135876	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+H"	1.007276
"1352015"	1034.383476	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H"	1.007276
"126362"	1034.383476	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+2H"	2.014552
"566770"	1551.071576	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+2H"	2.014552
"1039462"	517.695376	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2H"	2.014552
"214660"	689.924742666667	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+3H"	3.021828
"649118"	1034.383476	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+3H"	3.021828
"1166147"	345.466009333333	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+3H"	3.021828
"427959"	2084.786223	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+NH4"	18.033823
"786405"	3118.162423	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+NH4"	18.033823
"1682733"	1051.410023	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+NH4"	18.033823
"330645"	1042.8967495	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+H+NH4"	19.041099
"725624"	1559.5848495	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+H+NH4"	19.041099
"1480905"	526.2086495	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H+NH4"	19.041099
"396305"	2089.741618	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+Na"	22.989218
"768861"	3123.117818	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+Na"	22.989218
"1617439"	1056.365418	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Na"	22.989218
"327114"	1045.374447	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+H+Na"	23.996494
"721238"	1562.062547	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+H+Na"	23.996494
"1475179"	528.686347	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H+Na"	23.996494
"1067335"	352.793323333333	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2H+Na"	25.00377
"1271683"	1066.409686	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+CH3OH+H"	33.033486
"391110"	2105.715558	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+K"	38.963158
"753195"	3139.091758	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+K"	38.963158
"1554761"	1072.339358	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+K"	38.963158
"310719"	1053.361417	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+H+K"	39.970434
"705694"	1570.049517	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+H+K"	39.970434
"1459517"	536.673317	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H+K"	39.970434
"249942"	2108.786226	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+ACN+H"	42.033826
"1223376"	1075.410026	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+ACN+H"	42.033826
"1208597"	538.208651	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+ACN+2H"	43.041102
"203656"	2111.72356	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+2Na-H"	44.97116
"633129"	3145.09976	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+2Na-H"	44.97116
"1145266"	1078.34736	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2Na-H"	44.97116
"186609"	1056.365418	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+2Na"	45.978436
"626777"	1573.053518	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+2Na"	45.978436
"1127730"	539.677318	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2Na"	45.978436
"1407974"	360.120637333333	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H+2Na"	46.985712
"1436812"	1080.388946	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H+HCOOH"	47.012746
"226507"	1061.39844	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+3H2O+2H"	56.04448
"1517850"	1094.44099	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+IsoProp+H"	61.06479
"421929"	1064.352388	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+Na+K"	61.952376
"782922"	1581.040488	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+Na+K"	61.952376
"1679616"	547.664288	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Na+K"	61.952376
"265044"	2130.768168	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+ACN+Na"	64.015768
"1240302"	1097.391968	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+ACN+Na"	64.015768
"1726764"	1097.415493	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+NH4+HCOOH"	64.039293
"1192357"	367.447951333333	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+3Na"	68.967654
"1664320"	1102.370888	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Na+HCOOH"	68.994688
"170570"	2143.67144	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+2K-H"	76.91904
"610859"	3177.04764	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+2K-H"	76.91904
"1098286"	1110.29524	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2K-H"	76.91904
"156194"	1072.339358	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"2M+2K"	77.926316
"588829"	1589.027458	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"3M+2K"	77.926316
"1073342"	555.651258	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2K"	77.926316
"1112016"	1112.309792	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2K+H"	78.933592
"1349739"	1112.397407	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+DMSO+H"	79.021207
"1009276"	1116.436576	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2ACN+H"	83.060376
"1525335"	1117.430208	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+IsoProp+Na+H"	84.054008
"993850"	558.721926	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+2ACN+2H"	84.067652
"1590539"	1118.344828	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+K+HCOOH"	84.968628
"1421666"	1148.376338	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+H+CF3COOH"	115.000138
"1159613"	579.235201	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+3ACN+2H"	125.094202
"1710262"	1165.402885	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+NH4+CF3COOH"	132.026685
"1649561"	1170.35828	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+Na+CF3COOH"	136.98208
"1583751"	1186.33222	"C00412"	"Stearoyl-CoA;Stearyl-CoA;Stearyl coenzyme A"	"C39H70N7O17P3S"	"1033.3762"	"M+K+CF3COOH"	152.95602
"802087"	581.2657	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M"	0
"974765"	562.24731	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-H2O-H"	-19.01839
"63494"	386.503190666667	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M-3H"	-3.021828
"503538"	580.258424	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M-3H"	-3.021828
"882321"	192.747957333333	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-3H"	-3.021828
"1380"	580.258424	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M-2H"	-2.014552
"443737"	870.891274	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M-2H"	-2.014552
"818623"	289.625574	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-2H"	-2.014552
"80800"	1161.524124	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M-H"	-1.007276
"524374"	1742.789824	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M-H"	-1.007276
"903269"	580.258424	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-H"	-1.007276
"60563"	1178.550671	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M-2H+NH4"	16.019271
"498300"	1759.816371	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M-2H+NH4"	16.019271
"876102"	597.284971	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-2H+NH4"	16.019271
"47080"	1183.506066	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M-2H+Na"	20.974666
"486375"	1764.771766	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M-2H+Na"	20.974666
"863069"	602.240366	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-2H+Na"	20.974666
"1633218"	602.240366	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Na-2H"	20.974666
"108403"	598.246763	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M-H+Cl"	33.962126
"546990"	888.879613	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M-H+Cl"	33.962126
"941484"	307.613913	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-H+Cl"	33.962126
"282103"	1197.500802	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+Cl"	34.969402
"671487"	1778.766502	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+Cl"	34.969402
"1278427"	616.235102	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Cl"	34.969402
"27543"	1199.480006	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M-2H+K"	36.948606
"460542"	1780.745706	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M-2H+K"	36.948606
"843810"	618.214306	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-2H+K"	36.948606
"1559645"	618.214306	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+K-2H"	36.948606
"948622"	626.263894	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-H+HCOOH"	44.998194
"362705"	1207.529601	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+HCOOH-H"	44.998201
"346221"	1221.545251	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+Hac-H"	59.013851
"1493349"	640.279551	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Hac-H"	59.013851
"959316"	648.245851	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-H+NaCOOH"	66.980151
"111992"	616.235102	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+2Cl"	69.938804
"550211"	906.867952	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+2Cl"	69.938804
"1022294"	325.602252	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2Cl"	69.938804
"1241990"	660.184585	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Br"	78.918885
"1312953"	662.240572	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Cl+HCOOH"	80.974872
"1326076"	684.222529	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Cl+NaCOOH"	102.956829
"913489"	694.251286	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M-H+CF3COOH"	112.985586
"1291655"	730.227964	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Cl+CF3COOH"	148.962264
"1369089"	546.253024	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H-2H2O"	-35.012676
"1383213"	564.263	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H-H2O"	-17.0027
"283351"	1163.538676	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+H"	1.007276
"676506"	1744.804376	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+H"	1.007276
"1352488"	582.272976	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H"	1.007276
"127200"	582.272976	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+2H"	2.014552
"567123"	872.905826	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+2H"	2.014552
"1040663"	291.640126	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2H"	2.014552
"206010"	388.517742666667	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+3H"	3.021828
"651051"	582.272976	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+3H"	3.021828
"1166257"	194.762509333333	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+3H"	3.021828
"426975"	1180.565223	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+NH4"	18.033823
"786878"	1761.830923	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+NH4"	18.033823
"1685031"	599.299523	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+NH4"	18.033823
"331120"	590.7862495	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+H+NH4"	19.041099
"724276"	881.4190995	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+H+NH4"	19.041099
"1483202"	300.1533995	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H+NH4"	19.041099
"396415"	1185.520618	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+Na"	22.989218
"768604"	1766.786318	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+Na"	22.989218
"1616453"	604.254918	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Na"	22.989218
"328924"	593.263947	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+H+Na"	23.996494
"721709"	883.896797	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+H+Na"	23.996494
"1475652"	302.631097	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H+Na"	23.996494
"1067072"	202.089823333333	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2H+Na"	25.00377
"1270937"	614.299186	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+CH3OH+H"	33.033486
"392638"	1201.494558	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+K"	38.963158
"754101"	1782.760258	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+K"	38.963158
"1554018"	620.228858	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+K"	38.963158
"310829"	601.250917	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+H+K"	39.970434
"706901"	891.883767	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+H+K"	39.970434
"1460234"	310.618067	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H+K"	39.970434
"251230"	1204.565226	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+ACN+H"	42.033826
"1223486"	623.299526	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+ACN+H"	42.033826
"1209151"	312.153401	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+ACN+2H"	43.041102
"203928"	1207.50256	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+2Na-H"	44.97116
"633604"	1788.76826	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+2Na-H"	44.97116
"1146347"	626.23686	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2Na-H"	44.97116
"187816"	604.254918	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+2Na"	45.978436
"627615"	894.887768	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+2Na"	45.978436
"1127840"	313.622068	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2Na"	45.978436
"1409177"	209.417137333333	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H+2Na"	46.985712
"1435828"	628.278446	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H+HCOOH"	47.012746
"224794"	609.28794	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+3H2O+2H"	56.04448
"1516866"	642.33049	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+IsoProp+H"	61.06479
"422768"	612.241888	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+Na+K"	61.952376
"784490"	902.874738	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+Na+K"	61.952376
"1680455"	321.609038	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Na+K"	61.952376
"266245"	1226.547168	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+ACN+Na"	64.015768
"1241020"	645.281468	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+ACN+Na"	64.015768
"1728008"	645.304993	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+NH4+HCOOH"	64.039293
"1192467"	216.744451333333	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+3Na"	68.967654
"1665280"	650.260388	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Na+HCOOH"	68.994688
"172021"	1239.45044	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+2K-H"	76.91904
"611941"	1820.71614	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+2K-H"	76.91904
"1097908"	658.18474	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2K-H"	76.91904
"155819"	620.228858	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"2M+2K"	77.926316
"593312"	910.861708	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"3M+2K"	77.926316
"1073451"	329.596008	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2K"	77.926316
"1107753"	660.199292	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2K+H"	78.933592
"1348147"	660.286907	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+DMSO+H"	79.021207
"1009386"	664.326076	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2ACN+H"	83.060376
"1526418"	665.319708	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+IsoProp+Na+H"	84.054008
"992867"	332.666676	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+2ACN+2H"	84.067652
"1591743"	666.234328	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+K+HCOOH"	84.968628
"1419590"	696.265838	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+H+CF3COOH"	115.000138
"1159723"	353.179951	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+3ACN+2H"	125.094202
"1711102"	713.292385	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+NH4+CF3COOH"	132.026685
"1648941"	718.24778	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+Na+CF3COOH"	136.98208
"1583861"	734.22172	"C00413"	"Streptomycin"	"C21H39N7O12"	"581.2657"	"M+K+CF3COOH"	152.95602
"814225"	98.0732	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M"	0
"977916"	79.05481	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-H2O-H"	-19.01839
"70532"	64.3748573333333	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M-3H"	-3.021828
"507539"	97.065924	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M-3H"	-3.021828
"882431"	31.6837906666667	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-3H"	-3.021828
"2466"	97.065924	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M-2H"	-2.014552
"442753"	146.102524	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M-2H"	-2.014552
"822744"	48.029324	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-2H"	-2.014552
"82736"	195.139124	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M-H"	-1.007276
"525577"	293.212324	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M-H"	-1.007276
"903380"	97.065924	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-H"	-1.007276
"60794"	212.165671	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M-2H+NH4"	16.019271
"501084"	310.238871	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M-2H+NH4"	16.019271
"879504"	114.092471	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-2H+NH4"	16.019271
"47083"	217.121066	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M-2H+Na"	20.974666
"486806"	315.194266	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M-2H+Na"	20.974666
"863837"	119.047866	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-2H+Na"	20.974666
"1633450"	119.047866	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Na-2H"	20.974666
"109692"	115.054263	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M-H+Cl"	33.962126
"549167"	164.090863	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M-H+Cl"	33.962126
"941714"	66.017663	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-H+Cl"	33.962126
"282538"	231.115802	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+Cl"	34.969402
"674393"	329.189002	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+Cl"	34.969402
"1284006"	133.042602	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Cl"	34.969402
"25467"	233.095006	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M-2H+K"	36.948606
"468308"	331.168206	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M-2H+K"	36.948606
"843921"	135.021806	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-2H+K"	36.948606
"1567408"	135.021806	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+K-2H"	36.948606
"948733"	143.071394	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-H+HCOOH"	44.998194
"363301"	241.144601	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+HCOOH-H"	44.998201
"355205"	255.160251	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+Hac-H"	59.013851
"1497476"	157.087051	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Hac-H"	59.013851
"963924"	165.053351	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-H+NaCOOH"	66.980151
"116112"	133.042602	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+2Cl"	69.938804
"554578"	182.079202	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+2Cl"	69.938804
"1022162"	84.006002	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2Cl"	69.938804
"1241617"	176.992085	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Br"	78.918885
"1316343"	179.048072	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Cl+HCOOH"	80.974872
"1331653"	201.030029	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Cl+NaCOOH"	102.956829
"913963"	211.058786	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M-H+CF3COOH"	112.985586
"1292493"	247.035464	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Cl+CF3COOH"	148.962264
"1376490"	63.060524	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H-2H2O"	-35.012676
"1383899"	81.0705	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H-H2O"	-17.0027
"284558"	197.153676	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+H"	1.007276
"681721"	295.226876	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+H"	1.007276
"1354422"	99.080476	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H"	1.007276
"128039"	99.080476	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+2H"	2.014552
"568328"	148.117076	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+2H"	2.014552
"1041503"	50.043876	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2H"	2.014552
"207949"	66.3894093333333	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+3H"	3.021828
"651161"	99.080476	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+3H"	3.021828
"1167827"	33.6983426666667	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+3H"	3.021828
"427087"	214.180223	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+NH4"	18.033823
"787354"	312.253423	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+NH4"	18.033823
"1682954"	116.107023	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+NH4"	18.033823
"331600"	107.5937495	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+H+NH4"	19.041099
"724022"	156.6303495	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+H+NH4"	19.041099
"1484406"	58.5571495	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H+NH4"	19.041099
"405273"	219.135618	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+Na"	22.989218
"765184"	317.208818	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+Na"	22.989218
"1612187"	121.062418	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Na"	22.989218
"329275"	110.071447	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+H+Na"	23.996494
"722182"	159.108047	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+H+Na"	23.996494
"1476370"	61.034847	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H+Na"	23.996494
"1066452"	41.0256566666667	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2H+Na"	25.00377
"1272142"	131.106686	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+CH3OH+H"	33.033486
"392747"	235.109558	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+K"	38.963158
"754213"	333.182758	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+K"	38.963158
"1554859"	137.036358	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+K"	38.963158
"314199"	118.058417	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+H+K"	39.970434
"707045"	167.095017	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+H+K"	39.970434
"1461304"	69.021817	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H+K"	39.970434
"251393"	238.180226	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+ACN+H"	42.033826
"1225015"	140.107026	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+ACN+H"	42.033826
"1209842"	70.557151	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+ACN+2H"	43.041102
"201442"	241.11756	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+2Na-H"	44.97116
"638090"	339.19076	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+2Na-H"	44.97116
"1146852"	143.04436	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2Na-H"	44.97116
"183791"	121.062418	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+2Na"	45.978436
"624446"	170.099018	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+2Na"	45.978436
"1127951"	72.025818	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2Na"	45.978436
"1409288"	48.3529706666667	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H+2Na"	46.985712
"1436302"	145.085946	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H+HCOOH"	47.012746
"230009"	126.09544	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+3H2O+2H"	56.04448
"1515883"	159.13799	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+IsoProp+H"	61.06479
"422757"	129.049388	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+Na+K"	61.952376
"783876"	178.085988	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+Na+K"	61.952376
"1680566"	80.012788	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Na+K"	61.952376
"266723"	260.162168	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+ACN+Na"	64.015768
"1240769"	162.088968	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+ACN+Na"	64.015768
"1726864"	162.112493	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+NH4+HCOOH"	64.039293
"1192342"	55.6802846666667	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+3Na"	68.967654
"1664786"	167.067888	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Na+HCOOH"	68.994688
"172134"	273.06544	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+2K-H"	76.91904
"612301"	371.13864	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+2K-H"	76.91904
"1099362"	174.99224	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2K-H"	76.91904
"156827"	137.036358	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"2M+2K"	77.926316
"594515"	186.072958	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"3M+2K"	77.926316
"1081214"	87.999758	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2K"	77.926316
"1113329"	177.006792	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2K+H"	78.933592
"1346434"	177.094407	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+DMSO+H"	79.021207
"1014964"	181.133576	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2ACN+H"	83.060376
"1525065"	182.127208	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+IsoProp+Na+H"	84.054008
"999538"	91.070426	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+2ACN+2H"	84.067652
"1596228"	183.041828	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+K+HCOOH"	84.968628
"1418607"	213.073338	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+H+CF3COOH"	115.000138
"1159833"	111.583701	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+3ACN+2H"	125.094202
"1705016"	230.099885	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+NH4+CF3COOH"	132.026685
"1649051"	235.05528	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+Na+CF3COOH"	136.98208
"1583971"	251.02922	"C00414"	"Cyclohexanone"	"C6H10O"	"98.0732"	"M+K+CF3COOH"	152.95602
"801493"	443.1553	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M"	0
"975108"	424.13691	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-H2O-H"	-19.01839
"62857"	294.429590666667	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M-3H"	-3.021828
"502829"	442.148024	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M-3H"	-3.021828
"882541"	146.711157333333	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-3H"	-3.021828
"4399"	442.148024	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M-2H"	-2.014552
"441041"	663.725674	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M-2H"	-2.014552
"820667"	220.570374	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-2H"	-2.014552
"83939"	885.303324	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M-H"	-1.007276
"523498"	1328.458624	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M-H"	-1.007276
"903490"	442.148024	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-H"	-1.007276
"57866"	902.329871	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M-2H+NH4"	16.019271
"501194"	1345.485171	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M-2H+NH4"	16.019271
"877050"	459.174571	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-2H+NH4"	16.019271
"46414"	907.285266	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M-2H+Na"	20.974666
"487007"	1350.440566	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M-2H+Na"	20.974666
"863377"	464.129966	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-2H+Na"	20.974666
"1633315"	464.129966	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Na-2H"	20.974666
"107288"	460.136363	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M-H+Cl"	33.962126
"548305"	681.714013	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M-H+Cl"	33.962126
"940363"	238.558713	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-H+Cl"	33.962126
"278188"	921.280002	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+Cl"	34.969402
"674503"	1364.435302	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+Cl"	34.969402
"1285939"	478.124702	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Cl"	34.969402
"27764"	923.259206	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M-2H+K"	36.948606
"468419"	1366.414506	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M-2H+K"	36.948606
"844031"	480.103906	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-2H+K"	36.948606
"1567518"	480.103906	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+K-2H"	36.948606
"953217"	488.153494	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-H+HCOOH"	44.998194
"362683"	931.308801	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+HCOOH-H"	44.998201
"355315"	945.324451	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+Hac-H"	59.013851
"1497586"	502.169151	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Hac-H"	59.013851
"964034"	510.135451	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-H+NaCOOH"	66.980151
"114035"	478.124702	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+2Cl"	69.938804
"552501"	699.702352	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+2Cl"	69.938804
"1021537"	256.547052	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2Cl"	69.938804
"1241605"	522.074185	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Br"	78.918885
"1316453"	524.130172	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Cl+HCOOH"	80.974872
"1331763"	546.112129	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Cl+NaCOOH"	102.956829
"914073"	556.140886	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M-H+CF3COOH"	112.985586
"1292968"	592.117564	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Cl+CF3COOH"	148.962264
"1367849"	408.142624	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H-2H2O"	-35.012676
"1382809"	426.1526	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H-H2O"	-17.0027
"282855"	887.317876	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+H"	1.007276
"679644"	1330.473176	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+H"	1.007276
"1351385"	444.162576	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H"	1.007276
"127057"	444.162576	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+2H"	2.014552
"566981"	665.740226	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+2H"	2.014552
"1038695"	222.584926	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2H"	2.014552
"205872"	296.444142666667	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+3H"	3.021828
"657831"	444.162576	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+3H"	3.021828
"1171582"	148.725709333333	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+3H"	3.021828
"428656"	904.344423	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+NH4"	18.033823
"787464"	1347.499723	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+NH4"	18.033823
"1681405"	461.189123	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+NH4"	18.033823
"331710"	452.6758495	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+H+NH4"	19.041099
"723402"	674.2534995	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+H+NH4"	19.041099
"1481235"	231.0981995	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H+NH4"	19.041099
"404289"	909.299818	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+Na"	22.989218
"768215"	1352.455118	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+Na"	22.989218
"1617648"	466.144518	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Na"	22.989218
"329757"	455.153547	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+H+Na"	23.996494
"717674"	676.731197	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+H+Na"	23.996494
"1476564"	233.575897	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H+Na"	23.996494
"1068146"	156.053023333333	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2H+Na"	25.00377
"1270430"	476.188786	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+CH3OH+H"	33.033486
"392412"	925.273758	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+K"	38.963158
"753648"	1368.429058	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+K"	38.963158
"1554240"	482.118458	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+K"	38.963158
"312874"	463.140517	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+H+K"	39.970434
"706554"	684.718167	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+H+K"	39.970434
"1460989"	241.562867	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H+K"	39.970434
"251131"	928.344426	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+ACN+H"	42.033826
"1225125"	485.189126	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+ACN+H"	42.033826
"1209745"	243.098201	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+ACN+2H"	43.041102
"201552"	931.28176	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+2Na-H"	44.97116
"638200"	1374.43706	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+2Na-H"	44.97116
"1146800"	488.12646	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2Na-H"	44.97116
"182808"	466.144518	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+2Na"	45.978436
"625649"	687.722168	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+2Na"	45.978436
"1124781"	244.566868	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2Na"	45.978436
"1408305"	163.380337333333	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H+2Na"	46.985712
"1437140"	490.168046	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H+HCOOH"	47.012746
"225014"	471.17754	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+3H2O+2H"	56.04448
"1514900"	504.22009	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+IsoProp+H"	61.06479
"423356"	474.131488	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+Na+K"	61.952376
"785514"	695.709138	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+Na+K"	61.952376
"1681267"	252.553838	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Na+K"	61.952376
"267042"	950.326368	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+ACN+Na"	64.015768
"1241131"	507.171068	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+ACN+Na"	64.015768
"1728157"	507.194593	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+NH4+HCOOH"	64.039293
"1193951"	170.707651333333	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+3Na"	68.967654
"1665431"	512.149988	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Na+HCOOH"	68.994688
"172567"	963.22964	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+2K-H"	76.91904
"612699"	1406.38494	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+2K-H"	76.91904
"1099637"	520.07434	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2K-H"	76.91904
"157012"	482.118458	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"2M+2K"	77.926316
"593531"	703.696108	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"3M+2K"	77.926316
"1081324"	260.540808	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2K"	77.926316
"1113439"	522.088892	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2K+H"	78.933592
"1344357"	522.176507	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+DMSO+H"	79.021207
"1016167"	526.215676	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2ACN+H"	83.060376
"1525055"	527.209308	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+IsoProp+Na+H"	84.054008
"993451"	263.611476	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+2ACN+2H"	84.067652
"1591964"	528.123928	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+K+HCOOH"	84.968628
"1418717"	558.155438	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+H+CF3COOH"	115.000138
"1159943"	284.124751	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+3ACN+2H"	125.094202
"1708406"	575.181985	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+NH4+CF3COOH"	132.026685
"1648432"	580.13738	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+Na+CF3COOH"	136.98208
"1584081"	596.11132	"C00415"	"Dihydrofolate;Dihydrofolic acid;78-Dihydrofolate;78-Dihydrofolic acid;78-Dihydropteroylglutamate"	"C19H21N7O6"	"443.1553"	"M+K+CF3COOH"	152.95602
"804605"	174.0164	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M"	0
"974505"	154.99801	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H2O-H"	-19.01839
"64920"	115.003657333333	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-3H"	-3.021828
"515786"	173.009124	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-3H"	-3.021828
"889215"	56.9981906666667	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-3H"	-3.021828
"1228"	173.009124	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H"	-2.014552
"444067"	260.017324	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H"	-2.014552
"825152"	86.000924	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H"	-2.014552
"85146"	347.025524	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-H"	-1.007276
"527985"	521.041924	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-H"	-1.007276
"904693"	173.009124	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H"	-1.007276
"54692"	364.052071	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H+NH4"	16.019271
"494255"	538.068471	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H+NH4"	16.019271
"875337"	190.035671	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H+NH4"	16.019271
"44700"	369.007466	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H+Na"	20.974666
"487035"	543.023866	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H+Na"	20.974666
"863530"	194.991066	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H+Na"	20.974666
"1633061"	194.991066	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na-2H"	20.974666
"107763"	190.997463	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-H+Cl"	33.962126
"547687"	278.005663	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-H+Cl"	33.962126
"936461"	103.989263	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+Cl"	33.962126
"280131"	383.002202	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Cl"	34.969402
"669637"	557.018602	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+Cl"	34.969402
"1283133"	208.985802	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl"	34.969402
"27874"	384.981406	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H+K"	36.948606
"466338"	558.997806	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H+K"	36.948606
"840859"	210.965006	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H+K"	36.948606
"1561067"	210.965006	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K-2H"	36.948606
"951139"	219.014594	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+HCOOH"	44.998194
"362793"	393.031001	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+HCOOH-H"	44.998201
"353238"	407.046651	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Hac-H"	59.013851
"1495510"	233.030251	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Hac-H"	59.013851
"959162"	240.996551	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+NaCOOH"	66.980151
"110495"	208.985802	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2Cl"	69.938804
"552611"	295.994002	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2Cl"	69.938804
"1022504"	121.977602	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2Cl"	69.938804
"1242083"	252.935285	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Br"	78.918885
"1305136"	254.991272	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl+HCOOH"	80.974872
"1326407"	276.973229	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl+NaCOOH"	102.956829
"914184"	287.001986	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+CF3COOH"	112.985586
"1290893"	322.978664	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl+CF3COOH"	148.962264
"1368320"	139.003724	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H-2H2O"	-35.012676
"1382831"	157.0137	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H-H2O"	-17.0027
"286236"	349.040076	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H"	1.007276
"676109"	523.056476	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H"	1.007276
"1351722"	175.023676	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H"	1.007276
"126438"	175.023676	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2H"	2.014552
"567453"	262.031876	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2H"	2.014552
"1040635"	88.015476	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2H"	2.014552
"217288"	117.018209333333	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+3H"	3.021828
"658670"	175.023676	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+3H"	3.021828
"1171692"	59.0127426666667	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+3H"	3.021828
"426946"	366.066623	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+NH4"	18.033823
"786847"	540.083023	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+NH4"	18.033823
"1684638"	192.050223	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+NH4"	18.033823
"331093"	183.5369495	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H+NH4"	19.041099
"730810"	270.5451495	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H+NH4"	19.041099
"1491195"	96.5287495	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+NH4"	19.041099
"406601"	371.022018	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Na"	22.989218
"767960"	545.038418	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+Na"	22.989218
"1615328"	197.005618	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na"	22.989218
"326092"	186.014647	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H+Na"	23.996494
"721797"	273.022847	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H+Na"	23.996494
"1472697"	99.006447	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+Na"	23.996494
"1067039"	66.3400566666667	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2H+Na"	25.00377
"1271512"	207.049886	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+CH3OH+H"	33.033486
"392397"	386.995958	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+K"	38.963158
"750837"	561.012358	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+K"	38.963158
"1553620"	212.979558	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K"	38.963158
"312620"	194.001617	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H+K"	39.970434
"705648"	281.009817	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H+K"	39.970434
"1458129"	106.993417	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+K"	39.970434
"248192"	390.066626	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+ACN+H"	42.033826
"1224184"	216.050226	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+ACN+H"	42.033826
"1206604"	108.528751	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+ACN+2H"	43.041102
"195471"	393.00396	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2Na-H"	44.97116
"635030"	567.02036	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2Na-H"	44.97116
"1140720"	218.98756	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2Na-H"	44.97116
"182921"	197.005618	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2Na"	45.978436
"620293"	284.013818	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2Na"	45.978436
"1124892"	109.997418	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2Na"	45.978436
"1403312"	73.6673706666667	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+2Na"	46.985712
"1436161"	221.029146	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+HCOOH"	47.012746
"224760"	202.03864	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+3H2O+2H"	56.04448
"1523294"	235.08119	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+IsoProp+H"	61.06479
"422982"	204.992588	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Na+K"	61.952376
"785450"	292.000788	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+Na+K"	61.952376
"1681242"	117.984388	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na+K"	61.952376
"267049"	412.048568	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+ACN+Na"	64.015768
"1240021"	238.032168	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+ACN+Na"	64.015768
"1728344"	238.055693	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+NH4+HCOOH"	64.039293
"1194161"	80.9946846666667	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+3Na"	68.967654
"1665571"	243.011088	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na+HCOOH"	68.994688
"172840"	424.95184	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2K-H"	76.91904
"612793"	598.96824	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2K-H"	76.91904
"1099873"	250.93544	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2K-H"	76.91904
"155053"	212.979558	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2K"	77.926316
"593640"	299.987758	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2K"	77.926316
"1074870"	125.971358	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2K"	77.926316
"1108082"	252.949992	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2K+H"	78.933592
"1339364"	253.037607	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+DMSO+H"	79.021207
"1006919"	257.076776	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2ACN+H"	83.060376
"1531125"	258.070408	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+IsoProp+Na+H"	84.054008
"999760"	129.042026	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2ACN+2H"	84.067652
"1593169"	258.985028	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K+HCOOH"	84.968628
"1427580"	289.016538	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+CF3COOH"	115.000138
"1162004"	149.555301	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+3ACN+2H"	125.094202
"1708519"	306.043085	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+NH4+CF3COOH"	132.026685
"1646355"	310.99848	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na+CF3COOH"	136.98208
"1584192"	326.97242	"C00417"	"cis-Aconitate;cis-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K+CF3COOH"	152.95602
"804715"	148.0736	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M"	0
"976061"	129.05521	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"63815"	97.7084573333333	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"516261"	147.066324	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"889325"	48.3505906666667	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"1338"	147.066324	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"444175"	221.103124	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"825262"	73.029524	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"87442"	295.139924	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"529189"	443.213524	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"904803"	147.066324	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"51885"	312.166471	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"495458"	460.240071	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"875447"	164.092871	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"42257"	317.121866	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"486443"	465.195466	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"863029"	169.048266	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1629522"	169.048266	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"103497"	165.054663	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"543057"	239.091463	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"934384"	91.017863	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"280604"	331.116602	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"670838"	479.190202	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1282148"	183.043002	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"26890"	333.095806	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"466448"	481.169406	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"840969"	185.022206	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1556316"	185.022206	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"951249"	193.071794	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"362903"	341.145401	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"353348"	355.161051	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1493797"	207.087451	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"958530"	215.053751	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"110011"	183.043002	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"550451"	257.079802	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1022242"	109.006202	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1242065"	226.992485	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1305728"	229.048472	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1326517"	251.030429	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"911902"	261.059186	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1292096"	297.035864	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1369159"	113.060924	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1383621"	131.0709	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"286346"	297.154476	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"676129"	445.228076	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1352075"	149.080876	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"126547"	149.080876	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"566590"	223.117676	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1037824"	75.044076	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"215941"	99.7230093333333	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"648209"	149.080876	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1168520"	50.3651426666667	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"426691"	314.181023	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"786712"	462.254623	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1685841"	166.107423	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"335212"	157.5941495	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"732010"	231.6309495	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1483642"	83.5573495	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"405253"	319.136418	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"766614"	467.210018	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1617386"	171.062818	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"326202"	160.071847	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"717894"	234.108647	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1472442"	86.035047	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1064959"	57.6924566666667	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1271744"	181.107086	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"392018"	335.110358	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"750947"	483.183958	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1554462"	187.036758	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"313583"	168.058817	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"705758"	242.095617	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1456782"	94.022017	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"250125"	338.181026	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1224535"	190.107426	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1206714"	95.557351	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"197767"	341.11836	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"635140"	489.19196	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1140831"	193.04476	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"184124"	171.062818	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"622589"	245.099618	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1126095"	97.026018	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1406336"	65.0197706666667	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1437364"	195.086346	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"224870"	176.09584	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1523771"	209.13839	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"424189"	179.049788	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"785338"	253.086588	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1680779"	105.012988	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"266930"	360.162968	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1240132"	212.089368	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1727803"	212.112893	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1193765"	72.3470846666667	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1665440"	217.068288	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"172788"	373.06624	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"612750"	521.13984	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1099875"	224.99264	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"154921"	187.036758	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"593750"	261.073558	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1074980"	112.999958	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1109285"	227.007192	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1339110"	227.094807	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1007151"	231.133976	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1531235"	232.127608	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"996590"	116.070626	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1590363"	233.042228	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1426597"	263.073738	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1162357"	136.583901	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1710815"	280.100285	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1646465"	285.05568	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1584302"	301.02962	"C00418"	"(R)-Mevalonate;Mevalonic acid;35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"804828"	148.0524	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M"	0
"987842"	129.03401	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-H2O-H"	-19.01839
"70983"	97.694324	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M-3H"	-3.021828
"511636"	147.045124	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M-3H"	-3.021828
"890531"	48.343524	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-3H"	-3.021828
"5827"	147.045124	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M-2H"	-2.014552
"446480"	221.071324	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M-2H"	-2.014552
"827562"	73.018924	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-2H"	-2.014552
"90836"	295.097524	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M-H"	-1.007276
"532581"	443.149924	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M-H"	-1.007276
"909290"	147.045124	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-H"	-1.007276
"61114"	312.124071	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M-2H+NH4"	16.019271
"501174"	460.176471	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M-2H+NH4"	16.019271
"878368"	164.071671	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-2H+NH4"	16.019271
"45418"	317.079466	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M-2H+Na"	20.974666
"486310"	465.131866	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M-2H+Na"	20.974666
"861923"	169.027066	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-2H+Na"	20.974666
"1632184"	169.027066	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Na-2H"	20.974666
"104711"	165.033463	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M-H+Cl"	33.962126
"546458"	239.059663	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M-H+Cl"	33.962126
"936690"	91.007263	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-H+Cl"	33.962126
"275247"	331.074202	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+Cl"	34.969402
"668761"	479.126602	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+Cl"	34.969402
"1278977"	183.021802	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Cl"	34.969402
"22627"	333.053406	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M-2H+K"	36.948606
"466563"	481.105806	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M-2H+K"	36.948606
"837804"	185.001006	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-2H+K"	36.948606
"1564572"	185.001006	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+K-2H"	36.948606
"944802"	193.050594	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-H+HCOOH"	44.998194
"361688"	341.103001	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+HCOOH-H"	44.998201
"346160"	355.118651	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+Hac-H"	59.013851
"1499013"	207.066251	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Hac-H"	59.013851
"963275"	215.032551	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-H+NaCOOH"	66.980151
"116557"	183.021802	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+2Cl"	69.938804
"560491"	257.048002	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+2Cl"	69.938804
"1026012"	108.995602	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2Cl"	69.938804
"1247778"	226.971285	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Br"	78.918885
"1309133"	229.027272	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Cl+HCOOH"	80.974872
"1326629"	251.009229	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Cl+NaCOOH"	102.956829
"915501"	261.037986	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M-H+CF3COOH"	112.985586
"1290264"	297.014664	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Cl+CF3COOH"	148.962264
"1369275"	113.039724	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H-2H2O"	-35.012676
"1383977"	131.0497	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H-H2O"	-17.0027
"286824"	297.112076	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+H"	1.007276
"676570"	445.164476	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+H"	1.007276
"1362530"	149.059676	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H"	1.007276
"139064"	149.059676	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+2H"	2.014552
"577897"	223.085876	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+2H"	2.014552
"1051070"	75.033476	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2H"	2.014552
"218240"	99.708876	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+3H"	3.021828
"657803"	149.059676	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+3H"	3.021828
"1175197"	50.358076	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+3H"	3.021828
"437750"	314.138623	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+NH4"	18.033823
"799837"	462.191023	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+NH4"	18.033823
"1695442"	166.086223	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+NH4"	18.033823
"342259"	157.5729495	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+H+NH4"	19.041099
"736504"	231.5991495	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+H+NH4"	19.041099
"1485950"	83.5467495	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H+NH4"	19.041099
"406696"	319.094018	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+Na"	22.989218
"763436"	467.146418	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+Na"	22.989218
"1612625"	171.041618	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Na"	22.989218
"322663"	160.050647	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+H+Na"	23.996494
"718733"	234.076847	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+H+Na"	23.996494
"1475106"	86.024447	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H+Na"	23.996494
"1065437"	57.68539	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2H+Na"	25.00377
"1271849"	181.085886	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+CH3OH+H"	33.033486
"391519"	335.067958	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+K"	38.963158
"753124"	483.120358	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+K"	38.963158
"1549828"	187.015558	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+K"	38.963158
"312108"	168.037617	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+H+K"	39.970434
"706981"	242.063817	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+H+K"	39.970434
"1459811"	94.011417	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H+K"	39.970434
"245861"	338.138626	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+ACN+H"	42.033826
"1217840"	190.086226	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+ACN+H"	42.033826
"1201722"	95.546751	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+ACN+2H"	43.041102
"196782"	341.07596	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+2Na-H"	44.97116
"637437"	489.12836	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+2Na-H"	44.97116
"1142033"	193.02356	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2Na-H"	44.97116
"179858"	171.041618	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+2Na"	45.978436
"621609"	245.067818	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+2Na"	45.978436
"1127670"	97.015418	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2Na"	45.978436
"1412543"	65.012704	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H+2Na"	46.985712
"1444049"	195.065146	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H+HCOOH"	47.012746
"235082"	176.07464	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+3H2O+2H"	56.04448
"1523754"	209.11719	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+IsoProp+H"	61.06479
"423808"	179.028588	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+Na+K"	61.952376
"784676"	253.054788	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+Na+K"	61.952376
"1680768"	105.002388	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Na+K"	61.952376
"266765"	360.120568	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+ACN+Na"	64.015768
"1239870"	212.068168	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+ACN+Na"	64.015768
"1728119"	212.091693	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+NH4+HCOOH"	64.039293
"1193390"	72.340018	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+3Na"	68.967654
"1664375"	217.047088	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Na+HCOOH"	68.994688
"172655"	373.02384	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+2K-H"	76.91904
"610421"	521.07624	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+2K-H"	76.91904
"1099317"	224.97144	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2K-H"	76.91904
"153207"	187.015558	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"2M+2K"	77.926316
"593861"	261.041758	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"3M+2K"	77.926316
"1079466"	112.989358	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2K"	77.926316
"1107212"	226.985992	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2K+H"	78.933592
"1349065"	227.073607	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+DMSO+H"	79.021207
"1021211"	231.112776	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2ACN+H"	83.060376
"1534629"	232.106408	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+IsoProp+Na+H"	84.054008
"995610"	116.060026	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+2ACN+2H"	84.067652
"1598864"	233.021028	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+K+HCOOH"	84.968628
"1426711"	263.052538	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+H+CF3COOH"	115.000138
"1161374"	136.573301	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+3ACN+2H"	125.094202
"1708737"	280.079085	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+NH4+CF3COOH"	132.026685
"1638920"	285.03448	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+Na+CF3COOH"	136.98208
"1574574"	301.00842	"C00423"	"trans-Cinnamate;trans-Cinnamic acid;(E)-Cinnamate;(2E)-3-Phenylprop-2-enoate"	"C9H8O2"	"148.0524"	"M+K+CF3COOH"	152.95602
"804938"	74.0368	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M"	0
"988313"	55.01841	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"74371"	48.3505906666667	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"510653"	73.029524	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"890641"	23.6716573333333	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"4843"	73.029524	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"447683"	110.047924	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"827672"	36.011124	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"88759"	147.066324	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"532691"	221.103124	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"909765"	73.029524	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"61589"	164.092871	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"501770"	238.129671	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"878720"	90.056071	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"46495"	169.048266	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"486418"	243.085066	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"863126"	95.011466	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1632657"	95.011466	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"102633"	91.017863	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"544381"	128.036263	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"936800"	53.999463	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"277544"	183.043002	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"671058"	257.079802	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1279087"	109.006202	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"22737"	185.022206	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"466673"	259.059006	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"837914"	110.985406	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1564682"	110.985406	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"946004"	119.034994	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"361570"	193.071801	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"345987"	207.087451	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1496937"	133.050651	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"962292"	141.016951	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"116667"	109.006202	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"560601"	146.024602	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1027215"	71.987802	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1247888"	152.955685	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1308148"	155.011672	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1323822"	176.993629	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"911959"	187.022386	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1290130"	222.999064	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1368285"	39.024124	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1385060"	57.0341	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"286934"	149.080876	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"676195"	223.117676	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1362640"	75.044076	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"140268"	75.044076	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"579100"	112.062476	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1051180"	38.025676	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"215434"	50.3651426666667	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"657549"	75.044076	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1175307"	25.6862093333333	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"436763"	166.107423	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"790829"	240.144223	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1692267"	92.070623	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"342369"	83.5573495	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"731144"	120.5757495	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1486057"	46.5389495	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"405468"	171.062818	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"761362"	245.099618	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1611642"	97.026018	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"321680"	86.035047	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"718476"	123.053447	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1472297"	49.016647	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1064448"	33.0135233333333	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1267220"	107.070286	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"390170"	187.036758	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"752992"	261.073558	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1548845"	112.999958	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"313312"	94.022017	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"705371"	131.040417	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1458098"	57.003617	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"244148"	190.107426	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1217950"	116.070626	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1201832"	58.538951	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"198350"	193.04476	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"640462"	267.08156	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1141050"	119.00796	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"182154"	97.026018	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"621719"	134.044418	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1127414"	60.007618	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1412772"	40.3408373333333	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1443794"	121.049546	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"234463"	102.05904	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1523620"	135.10159	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"423996"	105.012988	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"785114"	142.031388	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1680958"	67.994588	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"265449"	212.089368	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1238521"	138.052568	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1728019"	138.076093	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1193249"	47.6681513333333	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1665517"	143.031488	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"172762"	224.99264	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"609070"	299.02944	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1099663"	150.95584	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"155138"	112.999958	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"593971"	150.018358	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1077389"	75.981558	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1107322"	152.970392	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1348811"	153.058007	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1021117"	157.097176	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1532552"	158.090808	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"995720"	79.052226	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1600067"	159.005428	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1426821"	189.036938	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1161484"	99.565501	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1708847"	206.063485	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1639030"	211.01888	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1574684"	226.99282	"C00424"	"(S)-Lactaldehyde;L-Lactaldehyde;L-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"805049"	352.225	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M"	0
"981865"	333.20661	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"71201"	233.809390666667	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"508576"	351.217724	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"885284"	116.401057333333	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"3858"	351.217724	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"445606"	527.330224	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"825595"	175.105224	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"89961"	703.442724	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"531345"	1055.667724	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"902948"	351.217724	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"57327"	720.469271	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"495795"	1072.694271	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"873597"	368.244271	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"45752"	725.424666	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"486528"	1077.649666	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"861048"	373.199666	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1628400"	373.199666	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"104928"	369.206063	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"546676"	545.318563	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"938003"	193.093563	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"275467"	739.419402	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"672261"	1091.644402	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1279197"	387.194402	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"19568"	741.398606	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"463503"	1093.623606	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"838025"	389.173606	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1561512"	389.173606	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"946114"	397.223194	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"362505"	749.448201	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"349305"	763.463851	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1499234"	411.238851	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"970057"	419.205151	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"117870"	387.194402	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"556338"	563.306902	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1024043"	211.081902	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1245810"	431.143885	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1307164"	433.199872	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1320325"	455.181829	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"913529"	465.210586	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1289142"	501.187264	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1367670"	317.212324	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1386992"	335.2223	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"286682"	705.457276	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"688225"	1057.682276	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1361657"	353.232276	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H"	1.007276
"137825"	353.232276	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"575197"	529.344776	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1049466"	177.119776	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"215545"	235.823942666667	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"658391"	353.232276	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1177243"	118.415609333333	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"434317"	722.483823	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"794219"	1074.708823	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1692742"	370.258823	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"342114"	361.7455495	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"735263"	537.8580495	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1490544"	185.6330495	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"407768"	727.439218	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"765845"	1079.664218	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1616860"	375.214218	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"323980"	364.223247	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"720412"	540.335747	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1472409"	188.110747	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1063468"	125.742923333333	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1268427"	385.258486	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"390649"	743.413158	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"750915"	1095.638158	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1551140"	391.188158	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+K"	38.963158
"308316"	372.210217	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"699646"	548.322717	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1458208"	196.097717	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"243164"	746.483826	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1219153"	394.258826	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1203037"	197.633051	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"194815"	749.42116	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"640573"	1101.64616	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1141529"	397.19616	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"178988"	375.214218	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"622924"	551.326718	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1130085"	199.101718	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1413577"	133.070237333333	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1443537"	399.237746	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"232503"	380.24724	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1522024"	413.28979	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"424217"	383.201188	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"783800"	559.313688	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1679768"	207.088688	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"264830"	768.465768	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1241266"	416.240768	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1727518"	416.264293	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1193938"	140.397551333333	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1665368"	421.219688	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"172518"	781.36904	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"612590"	1133.59404	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1099893"	429.14404	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"155857"	391.188158	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"595661"	567.300658	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1083708"	215.075658	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1107432"	431.158592	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1350379"	431.246207	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1013444"	435.285376	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1528288"	436.279008	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"1002393"	218.146326	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1596897"	437.193628	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1428024"	467.225138	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1155032"	238.659601	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1702397"	484.251685	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1634647"	489.20708	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1574795"	505.18102	"C00427"	"Prostaglandin H2;(5Z13E)-(15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;(5Z13E15S)-9alpha11alpha-Epidioxy-15-hydroxyprosta-513-dienoate;PGH2;(5Z9alpha11alpha13E15S)-911-Epidioxy-15-hydroxy-prosta-513-dienoate"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"805159"	114.0429	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M"	0
"975414"	95.02451	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-H2O-H"	-19.01839
"71310"	75.021324	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M-3H"	-3.021828
"506497"	113.035624	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M-3H"	-3.021828
"888673"	37.007024	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-3H"	-3.021828
"6155"	113.035624	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M-2H"	-2.014552
"445716"	170.057074	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M-2H"	-2.014552
"822425"	56.014174	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-2H"	-2.014552
"85696"	227.078524	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M-H"	-1.007276
"531334"	341.121424	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M-H"	-1.007276
"901962"	113.035624	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-H"	-1.007276
"56343"	244.105071	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M-2H+NH4"	16.019271
"498092"	358.147971	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M-2H+NH4"	16.019271
"872611"	130.062171	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-2H+NH4"	16.019271
"44645"	249.060466	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M-2H+Na"	20.974666
"480073"	363.103366	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M-2H+Na"	20.974666
"856784"	135.017566	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-2H+Na"	20.974666
"1627417"	135.017566	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Na-2H"	20.974666
"105038"	131.023963	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M-H+Cl"	33.962126
"544600"	188.045413	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M-H+Cl"	33.962126
"937020"	74.002513	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-H+Cl"	33.962126
"273390"	263.055202	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+Cl"	34.969402
"669091"	377.098102	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+Cl"	34.969402
"1279307"	149.012302	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Cl"	34.969402
"18584"	265.034406	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M-2H+K"	36.948606
"463613"	379.077306	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M-2H+K"	36.948606
"838135"	150.991506	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-2H+K"	36.948606
"1560528"	150.991506	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+K-2H"	36.948606
"946225"	159.041094	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-H+HCOOH"	44.998194
"362250"	273.084001	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+HCOOH-H"	44.998201
"349415"	287.099651	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+Hac-H"	59.013851
"1498251"	173.056751	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Hac-H"	59.013851
"971260"	181.023051	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-H+NaCOOH"	66.980151
"117980"	149.012302	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+2Cl"	69.938804
"556448"	206.033752	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+2Cl"	69.938804
"1022331"	91.990852	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2Cl"	69.938804
"1247012"	192.961785	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Br"	78.918885
"1308367"	195.017772	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Cl+HCOOH"	80.974872
"1320759"	216.999729	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Cl+NaCOOH"	102.956829
"913639"	227.028486	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M-H+CF3COOH"	112.985586
"1289617"	263.005164	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Cl+CF3COOH"	148.962264
"1368144"	79.030224	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H-2H2O"	-35.012676
"1386007"	97.0402	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H-H2O"	-17.0027
"287156"	229.093076	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+H"	1.007276
"690766"	343.135976	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+H"	1.007276
"1364319"	115.050176	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H"	1.007276
"136114"	115.050176	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+2H"	2.014552
"574943"	172.071626	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+2H"	2.014552
"1049212"	58.028726	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2H"	2.014552
"215289"	77.035876	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+3H"	3.021828
"656308"	115.050176	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+3H"	3.021828
"1175164"	39.021576	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+3H"	3.021828
"432240"	246.119623	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+NH4"	18.033823
"793234"	360.162523	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+NH4"	18.033823
"1692124"	132.076723	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+NH4"	18.033823
"340402"	123.5634495	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+H+NH4"	19.041099
"735373"	180.5848995	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+H+NH4"	19.041099
"1488467"	66.5419995	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H+NH4"	19.041099
"403867"	251.075018	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+Na"	22.989218
"760488"	365.117918	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+Na"	22.989218
"1615147"	137.032118	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Na"	22.989218
"321904"	126.041147	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+H+Na"	23.996494
"719430"	183.062597	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+H+Na"	23.996494
"1470698"	69.019697	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H+Na"	23.996494
"1063214"	46.34889	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2H+Na"	25.00377
"1266350"	147.076386	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+CH3OH+H"	33.033486
"391002"	267.048958	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+K"	38.963158
"750296"	381.091858	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+K"	38.963158
"1549064"	153.006058	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+K"	38.963158
"304053"	134.028117	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+H+K"	39.970434
"697570"	191.049567	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+H+K"	39.970434
"1455402"	77.006667	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H+K"	39.970434
"245826"	270.119626	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+ACN+H"	42.033826
"1222909"	156.076726	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+ACN+H"	42.033826
"1203147"	78.542001	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+ACN+2H"	43.041102
"196018"	273.05696	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+2Na-H"	44.97116
"638859"	387.09986	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+2Na-H"	44.97116
"1141272"	159.01406	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2Na-H"	44.97116
"179098"	137.032118	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+2Na"	45.978436
"623035"	194.053568	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+2Na"	45.978436
"1129102"	80.010668	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2Na"	45.978436
"1414147"	53.676204	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H+2Na"	46.985712
"1444256"	161.055646	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H+HCOOH"	47.012746
"233343"	142.06514	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+3H2O+2H"	56.04448
"1522862"	175.10769	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+IsoProp+H"	61.06479
"422918"	145.019088	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+Na+K"	61.952376
"783182"	202.040538	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+Na+K"	61.952376
"1679511"	87.997638	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Na+K"	61.952376
"264574"	292.101568	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+ACN+Na"	64.015768
"1239107"	178.058668	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+ACN+Na"	64.015768
"1726167"	178.082193	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+NH4+HCOOH"	64.039293
"1192982"	61.003518	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+3Na"	68.967654
"1665452"	183.037588	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Na+HCOOH"	68.994688
"172826"	305.00484	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+2K-H"	76.91904
"612335"	419.04774	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+2K-H"	76.91904
"1099765"	190.96194	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2K-H"	76.91904
"156457"	153.006058	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"2M+2K"	77.926316
"595770"	210.027508	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"3M+2K"	77.926316
"1083205"	95.984608	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2K"	77.926316
"1107542"	192.976492	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2K+H"	78.933592
"1349761"	193.064107	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+DMSO+H"	79.021207
"1013553"	197.103276	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2ACN+H"	83.060376
"1529491"	198.096908	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+IsoProp+Na+H"	84.054008
"999223"	99.055276	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+2ACN+2H"	84.067652
"1597007"	199.011528	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+K+HCOOH"	84.968628
"1428134"	229.043038	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+H+CF3COOH"	115.000138
"1156235"	119.568551	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+3ACN+2H"	125.094202
"1702507"	246.069585	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+NH4+CF3COOH"	132.026685
"1634880"	251.02498	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+Na+CF3COOH"	136.98208
"1578185"	266.99892	"C00429"	"56-Dihydrouracil;Dihydro-24(1H3H)-pyrimidinedione;Dihydrouracile;Dihydrouracil;56-Dihydro-24-dihydroxypyrimidine;Hydrouracil;24-Dioxotetrahydropyrimidine"	"C4H6N2O2"	"114.0429"	"M+K+CF3COOH"	152.95602
"805269"	131.0582	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M"	0
"975524"	112.03981	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"68140"	86.3648573333333	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"505514"	130.050924	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"887690"	42.6787906666667	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"6265"	130.050924	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"443639"	195.580024	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"821441"	64.521824	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"82526"	261.109124	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"525367"	392.167324	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"902072"	130.050924	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"54264"	278.135671	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"491640"	409.193871	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"868711"	147.077471	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"37342"	283.091066	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"481276"	414.149266	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"854706"	152.032866	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1629713"	152.032866	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"106241"	148.039263	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"544710"	213.568363	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"938223"	82.510163	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"278967"	297.085802	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"669201"	428.144002	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1277230"	166.027602	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"18694"	299.065006	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"463723"	430.123206	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"838245"	168.006806	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1559545"	168.006806	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"946335"	176.056394	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"361995"	307.114601	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"348796"	321.130251	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1498361"	190.072051	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"970277"	198.038351	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"115904"	166.027602	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"555465"	231.556702	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1022926"	100.498502	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1244936"	209.977085	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1308477"	212.033072	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1321598"	234.015029	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"912656"	244.043786	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1290456"	280.020464	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1368617"	96.045524	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1384657"	114.0555	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"287995"	263.123676	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"690392"	394.181876	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1365522"	132.065476	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"138045"	132.065476	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"569221"	197.594576	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1050050"	66.536376	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"212483"	88.3794093333333	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"653138"	132.065476	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1175638"	44.6933426666667	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"433442"	280.150223	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"791156"	411.208423	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1693327"	149.092023	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"342333"	140.5787495	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"735118"	206.1078495	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1488574"	75.0496495	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"399603"	285.105618	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"762784"	416.163818	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1611975"	154.047418	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"322014"	143.056447	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"719540"	208.585547	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1472629"	77.527347	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1061501"	52.0206566666667	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1266460"	164.091686	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"390504"	301.079558	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"749309"	432.137758	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1548081"	170.021358	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"305256"	151.043417	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"699867"	216.572517	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1455512"	85.514317	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"248123"	304.150226	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1225251"	173.092026	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1203257"	87.049651	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"198315"	307.08756	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"636782"	438.14576	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1138101"	176.02936	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"178115"	154.047418	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"623146"	219.576518	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1128847"	88.518318	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1411642"	59.3479706666667	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1440112"	178.070946	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"230536"	159.08044	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1520786"	192.12299	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"423027"	162.034388	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"782927"	227.563488	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1678162"	96.505288	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"264683"	326.132168	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1239583"	195.073968	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1726277"	195.097493	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1193093"	66.6752846666667	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1665176"	200.052888	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"172783"	339.03544	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"612081"	470.09364	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1099271"	207.97724	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"156569"	170.021358	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"595393"	235.550458	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1082098"	104.492258	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1106558"	209.991792	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1350602"	210.079407	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1010384"	214.118576	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1525592"	215.112208	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"999333"	107.562926	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1597117"	216.026828	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1428244"	246.058338	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1154158"	128.076201	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1702617"	263.084885	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1637177"	268.04028	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1578295"	284.01422	"C00430"	"5-Aminolevulinate;5-Amino-4-oxopentanoate;5-Amino-4-oxovaleric acid"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"805379"	117.079	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M"	0
"976727"	98.06061	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"68250"	77.0453906666667	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"506352"	116.071724	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"887800"	38.0190573333333	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"5282"	116.071724	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"444842"	174.611224	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"823738"	57.532224	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"83729"	233.150724	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"525477"	350.229724	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"902182"	116.071724	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"53280"	250.177271	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"492842"	367.256271	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"868820"	133.098271	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"38545"	255.132666	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"481386"	372.211666	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"855909"	138.053666	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1629823"	138.053666	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"106351"	134.060063	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"547006"	192.599563	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"938333"	75.520563	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"281508"	269.127402	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"669311"	386.206402	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1277340"	152.048402	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"18804"	271.106606	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"463833"	388.185606	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"838355"	154.027606	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1559655"	154.027606	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"947538"	162.077194	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"362104"	279.156201	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"349635"	293.171851	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1498471"	176.092851	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"971480"	184.059151	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"118200"	152.048402	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"555575"	210.587902	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1022915"	93.508902	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1244317"	195.997885	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1306765"	198.053872	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1320007"	220.035829	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"913859"	230.064586	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1290567"	266.041264	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1369093"	82.066324	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1384767"	100.0763	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"283727"	235.165276	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"690376"	352.244276	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1363077"	118.086276	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"130862"	118.086276	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"568600"	176.625776	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1048338"	59.546776	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"212593"	79.0599426666667	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"647780"	118.086276	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1168093"	40.0336093333333	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"426990"	252.191823	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"788346"	369.270823	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1692707"	135.112823	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"339160"	126.5995495	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"732675"	185.1390495	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1484310"	68.0600495	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"404084"	257.147218	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"761801"	374.226218	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1610991"	140.068218	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"325403"	129.077247	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"720864"	187.616747	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1474925"	70.537747	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1061609"	47.3609233333333	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1267663"	150.112486	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"390610"	273.121158	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"749419"	390.200158	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1549284"	156.042158	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"304273"	137.064217	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"697790"	195.603717	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1459267"	78.524717	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"246774"	276.191826	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1224953"	159.112826	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1200087"	80.060051	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"194049"	279.12916	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"635799"	396.20816	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1138211"	162.05016	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"178222"	140.068218	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"623256"	198.607718	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1129565"	81.528718	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1411388"	54.6882373333333	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1442043"	164.091746	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"229917"	145.10124	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1520167"	178.14379	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"423136"	148.055188	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"783398"	206.594688	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1678636"	89.515688	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"263332"	298.173768	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1238962"	181.094768	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1727120"	181.118293	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1193564"	62.0155513333333	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1664796"	186.073688	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"172757"	311.07704	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"612192"	428.15604	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1099619"	193.99804	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"155458"	156.042158	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"594409"	214.581658	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1082208"	97.502658	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1107761"	196.012592	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1350104"	196.100207	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1012679"	200.139376	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1526795"	201.133008	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"996162"	100.573326	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1597227"	202.047628	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1422886"	232.079138	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1153175"	121.086601	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1702727"	249.105685	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1637287"	254.06108	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1578405"	270.03502	"C00431"	"5-Aminopentanoate;5-Aminopentanoic acid;5-Aminovaleric acid"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"810956"	130.0266	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M"	0
"977930"	111.00821	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H2O-H"	-19.01839
"69452"	85.677124	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-3H"	-3.021828
"509015"	129.019324	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-3H"	-3.021828
"884629"	42.334924	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-3H"	-3.021828
"3206"	129.019324	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H"	-2.014552
"446047"	194.032624	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H"	-2.014552
"823849"	64.006024	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H"	-2.014552
"80070"	259.045924	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-H"	-1.007276
"520844"	389.072524	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-H"	-1.007276
"899376"	129.019324	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H"	-1.007276
"54486"	276.072471	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H+NH4"	16.019271
"496232"	406.099071	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H+NH4"	16.019271
"869660"	146.045871	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H+NH4"	16.019271
"38653"	281.027866	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H+Na"	20.974666
"481496"	411.054466	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H+Na"	20.974666
"856017"	151.001266	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H+Na"	20.974666
"1631027"	151.001266	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na-2H"	20.974666
"104275"	147.007663	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-H+Cl"	33.962126
"548210"	212.020963	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-H+Cl"	33.962126
"938444"	81.994363	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+Cl"	33.962126
"281375"	295.022602	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Cl"	34.969402
"669422"	425.049202	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+Cl"	34.969402
"1278543"	164.996002	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl"	34.969402
"18914"	297.001806	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H+K"	36.948606
"463943"	427.028406	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H+K"	36.948606
"838466"	166.975206	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H+K"	36.948606
"1559765"	166.975206	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K-2H"	36.948606
"947650"	175.024794	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+HCOOH"	44.998194
"366227"	305.051401	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+HCOOH-H"	44.998201
"348287"	319.067051	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Hac-H"	59.013851
"1497486"	189.040451	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Hac-H"	59.013851
"961014"	197.006751	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+NaCOOH"	66.980151
"111742"	164.996002	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2Cl"	69.938804
"556779"	230.009302	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2Cl"	69.938804
"1029953"	99.982702	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2Cl"	69.938804
"1247344"	208.945485	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Br"	78.918885
"1305536"	211.001472	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl+HCOOH"	80.974872
"1321454"	232.983429	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl+NaCOOH"	102.956829
"912149"	243.012186	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+CF3COOH"	112.985586
"1290313"	278.988864	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl+CF3COOH"	148.962264
"1369932"	95.013924	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H-2H2O"	-35.012676
"1384149"	113.0239	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H-H2O"	-17.0027
"283957"	261.060476	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H"	1.007276
"690119"	391.087076	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H"	1.007276
"1358814"	131.033876	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H"	1.007276
"135348"	131.033876	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2H"	2.014552
"578921"	196.047176	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2H"	2.014552
"1049179"	66.020576	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2H"	2.014552
"211611"	87.691676	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+3H"	3.021828
"646797"	131.033876	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+3H"	3.021828
"1164918"	44.349476	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+3H"	3.021828
"427101"	278.087023	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+NH4"	18.033823
"790279"	408.113623	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+NH4"	18.033823
"1689901"	148.060423	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+NH4"	18.033823
"339270"	139.5471495	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H+NH4"	19.041099
"732785"	204.5604495	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H+NH4"	19.041099
"1484418"	74.5338495	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+NH4"	19.041099
"399818"	283.042418	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Na"	22.989218
"763001"	413.069018	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+Na"	22.989218
"1611100"	153.015818	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na"	22.989218
"324419"	142.024847	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H+Na"	23.996494
"721095"	207.038147	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H+Na"	23.996494
"1475035"	77.011547	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+Na"	23.996494
"1063906"	51.67679	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2H+Na"	25.00377
"1267773"	163.060086	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+CH3OH+H"	33.033486
"388533"	299.016358	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+K"	38.963158
"749529"	429.042958	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+K"	38.963158
"1551582"	168.989758	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K"	38.963158
"312040"	150.011817	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H+K"	39.970434
"704462"	215.025117	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H+K"	39.970434
"1460469"	84.998517	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+K"	39.970434
"242510"	302.087026	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+ACN+H"	42.033826
"1214126"	172.060426	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+ACN+H"	42.033826
"1199103"	86.533851	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+ACN+2H"	43.041102
"195254"	305.02436	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2Na-H"	44.97116
"638096"	435.05096	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2Na-H"	44.97116
"1138323"	174.99776	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2Na-H"	44.97116
"177239"	153.015818	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2Na"	45.978436
"622270"	218.029118	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2Na"	45.978436
"1129311"	88.002518	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2Na"	45.978436
"1411498"	59.004104	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+2Na"	46.985712
"1441424"	177.039346	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+HCOOH"	47.012746
"230027"	158.04884	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+3H2O+2H"	56.04448
"1520277"	191.09139	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+IsoProp+H"	61.06479
"421422"	161.002788	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Na+K"	61.952376
"783874"	226.016088	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+Na+K"	61.952376
"1678384"	95.989488	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na+K"	61.952376
"262713"	324.068968	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+ACN+Na"	64.015768
"1240041"	194.042368	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+ACN+Na"	64.015768
"1727590"	194.065893	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+NH4+HCOOH"	64.039293
"1185290"	66.331418	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+3Na"	68.967654
"1664420"	199.021288	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na+HCOOH"	68.994688
"171883"	336.97224	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2K-H"	76.91904
"611080"	466.99884	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2K-H"	76.91904
"1097051"	206.94564	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2K-H"	76.91904
"154961"	168.989758	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2K"	77.926316
"587960"	234.003058	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2K"	77.926316
"1083780"	103.976458	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2K"	77.926316
"1114930"	208.960192	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2K+H"	78.933592
"1350783"	209.047807	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+DMSO+H"	79.021207
"1014976"	213.086976	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2ACN+H"	83.060376
"1529824"	214.080608	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+IsoProp+Na+H"	84.054008
"996273"	107.047126	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2ACN+2H"	84.067652
"1597337"	214.995228	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K+HCOOH"	84.968628
"1426279"	245.026738	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+CF3COOH"	115.000138
"1152193"	127.560401	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+3ACN+2H"	125.094202
"1703930"	262.053285	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+NH4+CF3COOH"	132.026685
"1637397"	267.00868	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na+CF3COOH"	136.98208
"1578515"	282.98262	"C00433"	"25-Dioxopentanoate;2-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K+CF3COOH"	152.95602
"806694"	131.1059	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M"	0
"981323"	112.08751	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-H2O-H"	-19.01839
"64825"	86.3966573333333	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M-3H"	-3.021828
"510219"	130.098624	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M-3H"	-3.021828
"880846"	42.6946906666667	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-3H"	-3.021828
"554"	130.098624	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M-2H"	-2.014552
"441780"	195.651574	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M-2H"	-2.014552
"819219"	64.545674	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-2H"	-2.014552
"80303"	261.204524	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M-H"	-1.007276
"519619"	392.310424	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M-H"	-1.007276
"899489"	130.098624	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-H"	-1.007276
"58971"	278.231071	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M-2H+NH4"	16.019271
"499623"	409.336971	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M-2H+NH4"	16.019271
"869770"	147.125171	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-2H+NH4"	16.019271
"42044"	283.186466	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M-2H+Na"	20.974666
"483805"	414.292366	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M-2H+Na"	20.974666
"860514"	152.080566	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-2H+Na"	20.974666
"1632234"	152.080566	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Na-2H"	20.974666
"109368"	148.086963	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M-H+Cl"	33.962126
"548319"	213.639913	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M-H+Cl"	33.962126
"938555"	82.534013	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-H+Cl"	33.962126
"272738"	297.181202	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+Cl"	34.969402
"664429"	428.287102	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+Cl"	34.969402
"1283031"	166.075302	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Cl"	34.969402
"28869"	299.160406	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M-2H+K"	36.948606
"464055"	430.266306	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M-2H+K"	36.948606
"837482"	168.054506	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-2H+K"	36.948606
"1560239"	168.054506	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+K-2H"	36.948606
"947029"	176.104094	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-H+HCOOH"	44.998194
"367066"	307.210001	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+HCOOH-H"	44.998201
"349125"	321.225651	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+Hac-H"	59.013851
"1501970"	190.119751	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Hac-H"	59.013851
"960761"	198.086051	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-H+NaCOOH"	66.980151
"123890"	166.075302	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+2Cl"	69.938804
"563451"	231.628252	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+2Cl"	69.938804
"1031157"	100.522352	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2Cl"	69.938804
"1249642"	210.024785	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Br"	78.918885
"1306257"	212.080772	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Cl+HCOOH"	80.974872
"1321930"	234.062729	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Cl+NaCOOH"	102.956829
"915176"	244.091486	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M-H+CF3COOH"	112.985586
"1292613"	280.068164	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Cl+CF3COOH"	148.962264
"1373330"	96.093224	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H-2H2O"	-35.012676
"1397759"	114.1032	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H-H2O"	-17.0027
"298285"	263.219076	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+H"	1.007276
"688773"	394.324976	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+H"	1.007276
"1363664"	132.113176	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H"	1.007276
"138011"	132.113176	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+2H"	2.014552
"576845"	197.666126	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+2H"	2.014552
"1050382"	66.560226	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2H"	2.014552
"213908"	88.4112093333333	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+3H"	3.021828
"646908"	132.113176	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+3H"	3.021828
"1166123"	44.7092426666667	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+3H"	3.021828
"427210"	280.245623	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+NH4"	18.033823
"788203"	411.351523	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+NH4"	18.033823
"1691103"	149.139723	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+NH4"	18.033823
"340473"	140.6264495	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+H+NH4"	19.041099
"732895"	206.1793995	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+H+NH4"	19.041099
"1481975"	75.0734995	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H+NH4"	19.041099
"397741"	285.201018	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+Na"	22.989218
"758735"	416.306918	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+Na"	22.989218
"1605737"	154.095118	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Na"	22.989218
"320150"	143.104147	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+H+Na"	23.996494
"713668"	208.657097	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+H+Na"	23.996494
"1469675"	77.551197	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H+Na"	23.996494
"1067177"	52.0365566666667	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2H+Na"	25.00377
"1271161"	164.139386	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+CH3OH+H"	33.033486
"390829"	301.174958	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+K"	38.963158
"749637"	432.280858	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+K"	38.963158
"1551693"	170.069058	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+K"	38.963158
"305589"	151.091117	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+H+K"	39.970434
"704572"	216.644067	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+H+K"	39.970434
"1454019"	85.538167	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H+K"	39.970434
"237154"	304.245626	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+ACN+H"	42.033826
"1213145"	173.139726	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+ACN+H"	42.033826
"1202495"	87.073501	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+ACN+2H"	43.041102
"195366"	307.18296	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+2Na-H"	44.97116
"637114"	438.28886	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+2Na-H"	44.97116
"1139526"	176.07706	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2Na-H"	44.97116
"183914"	154.095118	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+2Na"	45.978436
"622382"	219.648068	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+2Na"	45.978436
"1130270"	88.542168	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2Na"	45.978436
"1412336"	59.3638706666667	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H+2Na"	46.985712
"1444816"	178.118646	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H+HCOOH"	47.012746
"234513"	159.12814	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+3H2O+2H"	56.04448
"1522941"	192.17069	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+IsoProp+H"	61.06479
"423722"	162.082088	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+Na+K"	61.952376
"785080"	227.635038	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+Na+K"	61.952376
"1678861"	96.529138	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Na+K"	61.952376
"265744"	326.227568	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+ACN+Na"	64.015768
"1239912"	195.121668	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+ACN+Na"	64.015768
"1727701"	195.145193	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+NH4+HCOOH"	64.039293
"1193786"	66.6911846666667	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+3Na"	68.967654
"1665091"	200.100588	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Na+HCOOH"	68.994688
"171993"	339.13084	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+2K-H"	76.91904
"599648"	470.23674	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+2K-H"	76.91904
"1086956"	208.02494	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2K-H"	76.91904
"150696"	170.069058	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"2M+2K"	77.926316
"589162"	235.622008	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"3M+2K"	77.926316
"1083159"	104.516108	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2K"	77.926316
"1110170"	210.039492	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2K+H"	78.933592
"1343276"	210.127107	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+DMSO+H"	79.021207
"1010712"	214.166276	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2ACN+H"	83.060376
"1533215"	215.159908	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+IsoProp+Na+H"	84.054008
"1004646"	107.586776	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+2ACN+2H"	84.067652
"1601462"	216.074528	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+K+HCOOH"	84.968628
"1424203"	246.106038	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+H+CF3COOH"	115.000138
"1155583"	128.100051	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+3ACN+2H"	125.094202
"1700761"	263.132585	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+NH4+CF3COOH"	132.026685
"1640787"	268.08798	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+Na+CF3COOH"	136.98208
"1578625"	284.06192	"C00436"	"N-Carbamoylputrescine"	"C5H13N3O"	"131.1059"	"M+K+CF3COOH"	152.95602
"805711"	174.1004	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M"	0
"978153"	155.08201	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-H2O-H"	-19.01839
"65301"	115.059657333333	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M-3H"	-3.021828
"511423"	173.093124	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M-3H"	-3.021828
"880959"	57.0261906666667	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-3H"	-3.021828
"16"	173.093124	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M-2H"	-2.014552
"440158"	260.143324	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M-2H"	-2.014552
"818601"	86.042924	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-2H"	-2.014552
"80050"	347.193524	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M-H"	-1.007276
"518956"	521.293924	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M-H"	-1.007276
"897049"	173.093124	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-H"	-1.007276
"59081"	364.220071	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M-2H+NH4"	16.019271
"498640"	538.320471	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M-2H+NH4"	16.019271
"867694"	190.119671	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-2H+NH4"	16.019271
"41062"	369.175466	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M-2H+Na"	20.974666
"484644"	543.275866	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M-2H+Na"	20.974666
"859531"	195.075066	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-2H+Na"	20.974666
"1631251"	195.075066	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Na-2H"	20.974666
"108506"	191.081463	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M-H+Cl"	33.962126
"547336"	278.131663	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M-H+Cl"	33.962126
"937572"	104.031263	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-H+Cl"	33.962126
"272848"	383.170202	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+Cl"	34.969402
"666362"	557.270602	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+Cl"	34.969402
"1285328"	209.069802	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Cl"	34.969402
"28979"	385.149406	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M-2H+K"	36.948606
"465258"	559.249806	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M-2H+K"	36.948606
"838686"	211.049006	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-2H+K"	36.948606
"1558892"	211.049006	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+K-2H"	36.948606
"946775"	219.098594	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-H+HCOOH"	44.998194
"367176"	393.199001	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+HCOOH-H"	44.998201
"348143"	407.214651	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+Hac-H"	59.013851
"1502080"	233.114251	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Hac-H"	59.013851
"959899"	241.080551	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-H+NaCOOH"	66.980151
"116343"	209.069802	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+2Cl"	69.938804
"555906"	296.120002	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+2Cl"	69.938804
"1028350"	122.019602	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2Cl"	69.938804
"1245741"	253.019285	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Br"	78.918885
"1305273"	255.075272	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Cl+HCOOH"	80.974872
"1320581"	277.057229	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Cl+NaCOOH"	102.956829
"912127"	287.085986	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M-H+CF3COOH"	112.985586
"1289807"	323.062664	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Cl+CF3COOH"	148.962264
"1373440"	139.087724	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H-2H2O"	-35.012676
"1397869"	157.0977	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H-H2O"	-17.0027
"298542"	349.208076	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+H"	1.007276
"689612"	523.308476	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+H"	1.007276
"1364867"	175.107676	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H"	1.007276
"138121"	175.107676	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+2H"	2.014552
"577319"	262.157876	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+2H"	2.014552
"1050856"	88.057476	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2H"	2.014552
"213654"	117.074209333333	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+3H"	3.021828
"645925"	175.107676	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+3H"	3.021828
"1164047"	59.0407426666667	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+3H"	3.021828
"426227"	366.234623	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+NH4"	18.033823
"787220"	540.335023	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+NH4"	18.033823
"1690119"	192.134223	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+NH4"	18.033823
"340582"	183.6209495	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+H+NH4"	19.041099
"733004"	270.6711495	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+H+NH4"	19.041099
"1481357"	96.5707495	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H+NH4"	19.041099
"397847"	371.190018	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+Na"	22.989218
"761029"	545.290418	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+Na"	22.989218
"1606940"	197.089618	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Na"	22.989218
"315883"	186.098647	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+H+Na"	23.996494
"709398"	273.148847	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+H+Na"	23.996494
"1467594"	99.048447	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H+Na"	23.996494
"1058657"	66.3680566666667	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2H+Na"	25.00377
"1262521"	207.133886	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+CH3OH+H"	33.033486
"390939"	387.163958	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+K"	38.963158
"749747"	561.264358	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+K"	38.963158
"1546332"	213.063558	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+K"	38.963158
"304606"	194.085617	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+H+K"	39.970434
"694841"	281.135817	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+H+K"	39.970434
"1457410"	107.035417	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H+K"	39.970434
"247104"	390.234626	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+ACN+H"	42.033826
"1210458"	216.134226	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+ACN+H"	42.033826
"1196406"	108.570751	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+ACN+2H"	43.041102
"194383"	393.17196	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+2Na-H"	44.97116
"632849"	567.27236	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+2Na-H"	44.97116
"1140729"	219.07156	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2Na-H"	44.97116
"182931"	197.089618	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+2Na"	45.978436
"619210"	284.139818	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+2Na"	45.978436
"1130990"	110.039418	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2Na"	45.978436
"1411713"	73.6953706666667	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H+2Na"	46.985712
"1443833"	221.113146	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H+HCOOH"	47.012746
"233528"	202.12264	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+3H2O+2H"	56.04448
"1521956"	235.16519	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+IsoProp+H"	61.06479
"423098"	205.076588	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+Na+K"	61.952376
"783002"	292.126788	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+Na+K"	61.952376
"1678240"	118.026388	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Na+K"	61.952376
"265484"	412.216568	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+ACN+Na"	64.015768
"1240018"	238.116168	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+ACN+Na"	64.015768
"1728367"	238.139693	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+NH4+HCOOH"	64.039293
"1192067"	81.0226846666667	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+3Na"	68.967654
"1663056"	243.095088	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Na+HCOOH"	68.994688
"169918"	425.11984	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+2K-H"	76.91904
"599028"	599.22024	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+2K-H"	76.91904
"1086337"	251.01944	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2K-H"	76.91904
"146434"	213.063558	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"2M+2K"	77.926316
"584171"	300.113758	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"3M+2K"	77.926316
"1074883"	126.013358	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2K"	77.926316
"1105906"	253.033992	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2K+H"	78.933592
"1344479"	253.121607	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+DMSO+H"	79.021207
"1010822"	257.160776	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2ACN+H"	83.060376
"1533325"	258.154408	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+IsoProp+Na+H"	84.054008
"996493"	129.084026	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+2ACN+2H"	84.067652
"1597557"	259.069028	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+K+HCOOH"	84.968628
"1422123"	289.100538	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+H+CF3COOH"	115.000138
"1150224"	149.597301	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+3ACN+2H"	125.094202
"1701964"	306.127085	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+NH4+CF3COOH"	132.026685
"1640897"	311.08248	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+Na+CF3COOH"	136.98208
"1578735"	327.05642	"C00437"	"N-Acetylornithine;N2-Acetyl-L-ornithine"	"C7H14N2O3"	"174.1004"	"M+K+CF3COOH"	152.95602
"805821"	176.0433	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M"	0
"979357"	157.02491	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-H2O-H"	-19.01839
"62961"	116.354924	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M-3H"	-3.021828
"510440"	175.036024	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M-3H"	-3.021828
"883864"	57.673824	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-3H"	-3.021828
"980"	175.036024	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M-2H"	-2.014552
"443096"	263.057674	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M-2H"	-2.014552
"820898"	87.014374	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-2H"	-2.014552
"81983"	351.079324	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M-H"	-1.007276
"520809"	527.122624	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M-H"	-1.007276
"898253"	175.036024	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-H"	-1.007276
"57005"	368.105871	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M-2H+NH4"	16.019271
"498751"	544.149171	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M-2H+NH4"	16.019271
"872178"	192.062571	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-2H+NH4"	16.019271
"35704"	373.061266	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M-2H+Na"	20.974666
"484390"	549.104566	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M-2H+Na"	20.974666
"861099"	197.017966	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-2H+Na"	20.974666
"1630268"	197.017966	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Na-2H"	20.974666
"107523"	193.024363	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M-H+Cl"	33.962126
"546718"	281.046013	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M-H+Cl"	33.962126
"938777"	105.002713	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-H+Cl"	33.962126
"279154"	387.056002	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+Cl"	34.969402
"669752"	563.099302	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+Cl"	34.969402
"1284345"	211.012702	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Cl"	34.969402
"29089"	389.035206	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M-2H+K"	36.948606
"464275"	565.078506	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M-2H+K"	36.948606
"839889"	212.991906	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-2H+K"	36.948606
"1557179"	212.991906	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+K-2H"	36.948606
"946885"	221.041494	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-H+HCOOH"	44.998194
"366193"	397.084801	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+HCOOH-H"	44.998201
"347524"	411.100451	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+Hac-H"	59.013851
"1502190"	235.057151	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Hac-H"	59.013851
"960252"	243.023451	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-H+NaCOOH"	66.980151
"114265"	211.012702	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+2Cl"	69.938804
"555651"	299.034352	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+2Cl"	69.938804
"1027731"	122.991052	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2Cl"	69.938804
"1246944"	254.962185	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Br"	78.918885
"1304775"	257.018172	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Cl+HCOOH"	80.974872
"1320444"	279.000129	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Cl+NaCOOH"	102.956829
"912116"	289.028886	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M-H+CF3COOH"	112.985586
"1291739"	325.005564	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Cl+CF3COOH"	148.962264
"1369169"	141.030624	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H-2H2O"	-35.012676
"1397616"	159.0406	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H-H2O"	-17.0027
"297788"	353.093876	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+H"	1.007276
"688993"	529.137176	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+H"	1.007276
"1363154"	177.050576	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H"	1.007276
"138231"	177.050576	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+2H"	2.014552
"577065"	265.072226	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+2H"	2.014552
"1050966"	89.028926	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2H"	2.014552
"213035"	118.369476	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+3H"	3.021828
"647128"	177.050576	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+3H"	3.021828
"1166343"	59.688376	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+3H"	3.021828
"427428"	370.120423	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+NH4"	18.033823
"787694"	546.163723	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+NH4"	18.033823
"1692415"	194.077123	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+NH4"	18.033823
"338505"	185.5638495	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+H+NH4"	19.041099
"729834"	273.5854995	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+H+NH4"	19.041099
"1481466"	97.5421995	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H+NH4"	19.041099
"399050"	375.075818	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+Na"	22.989218
"758953"	551.119118	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+Na"	22.989218
"1607050"	199.032518	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Na"	22.989218
"315993"	188.041547	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+H+Na"	23.996494
"707196"	276.063197	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+H+Na"	23.996494
"1462233"	100.019897	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H+Na"	23.996494
"1057671"	67.01569	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2H+Na"	25.00377
"1261535"	209.076786	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+CH3OH+H"	33.033486
"387769"	391.049758	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+K"	38.963158
"749857"	567.093058	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+K"	38.963158
"1546442"	215.006458	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+K"	38.963158
"305809"	196.028517	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+H+K"	39.970434
"698231"	284.050167	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+H+K"	39.970434
"1460559"	108.006867	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H+K"	39.970434
"249402"	394.120426	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+ACN+H"	42.033826
"1212634"	218.077126	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+ACN+H"	42.033826
"1197246"	109.542201	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+ACN+2H"	43.041102
"191576"	397.05776	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+2Na-H"	44.97116
"635146"	573.10106	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+2Na-H"	44.97116
"1140839"	221.01446	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2Na-H"	44.97116
"181948"	199.032518	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+2Na"	45.978436
"619320"	287.054168	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+2Na"	45.978436
"1131137"	111.010868	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2Na"	45.978436
"1414015"	74.343004	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H+2Na"	46.985712
"1445039"	223.056046	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H+HCOOH"	47.012746
"234369"	204.06554	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+3H2O+2H"	56.04448
"1522065"	237.10809	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+IsoProp+H"	61.06479
"422844"	207.019488	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+Na+K"	61.952376
"784570"	295.041138	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+Na+K"	61.952376
"1679807"	118.997838	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Na+K"	61.952376
"266325"	416.102368	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+ACN+Na"	64.015768
"1240129"	240.059068	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+ACN+Na"	64.015768
"1726460"	240.082593	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+NH4+HCOOH"	64.039293
"1193149"	81.670318	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+3Na"	68.967654
"1665352"	245.037988	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Na+HCOOH"	68.994688
"172460"	429.00564	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+2K-H"	76.91904
"600842"	605.04894	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+2K-H"	76.91904
"1088635"	252.96234	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2K-H"	76.91904
"153104"	215.006458	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"2M+2K"	77.926316
"584281"	303.028108	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"3M+2K"	77.926316
"1074993"	126.984808	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2K"	77.926316
"1102735"	254.976892	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2K+H"	78.933592
"1342402"	255.064507	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+DMSO+H"	79.021207
"1007651"	259.103676	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2ACN+H"	83.060376
"1533435"	260.097308	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+IsoProp+Na+H"	84.054008
"997695"	130.055476	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+2ACN+2H"	84.067652
"1598760"	261.011928	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+K+HCOOH"	84.968628
"1420046"	291.043438	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+H+CF3COOH"	115.000138
"1150334"	150.568751	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+3ACN+2H"	125.094202
"1702074"	308.069985	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+NH4+CF3COOH"	132.026685
"1642100"	313.02538	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+Na+CF3COOH"	136.98208
"1578845"	328.99932	"C00438"	"N-Carbamoyl-L-aspartate"	"C5H8N2O5"	"176.0433"	"M+K+CF3COOH"	152.95602
"805931"	174.0641	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M"	0
"977279"	155.04571	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-H2O-H"	-19.01839
"63332"	115.035457333333	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M-3H"	-3.021828
"509456"	173.056824	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M-3H"	-3.021828
"880365"	57.0140906666667	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-3H"	-3.021828
"439"	173.056824	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M-2H"	-2.014552
"444299"	260.088874	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M-2H"	-2.014552
"821008"	86.024774	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-2H"	-2.014552
"81000"	347.120924	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M-H"	-1.007276
"521653"	521.185024	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M-H"	-1.007276
"899456"	173.056824	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-H"	-1.007276
"54928"	364.147471	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M-2H+NH4"	16.019271
"494486"	538.211571	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M-2H+NH4"	16.019271
"872289"	190.083371	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-2H+NH4"	16.019271
"35814"	369.102866	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M-2H+Na"	20.974666
"484865"	543.166966	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M-2H+Na"	20.974666
"861575"	195.038766	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-2H+Na"	20.974666
"1629648"	195.038766	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Na-2H"	20.974666
"105447"	191.045163	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M-H+Cl"	33.962126
"543183"	278.077213	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M-H+Cl"	33.962126
"936699"	104.013113	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-H+Cl"	33.962126
"273068"	383.097602	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+Cl"	34.969402
"666582"	557.161702	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+Cl"	34.969402
"1277894"	209.033502	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Cl"	34.969402
"25920"	385.076806	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M-2H+K"	36.948606
"460376"	559.140906	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M-2H+K"	36.948606
"834896"	211.012706	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-2H+K"	36.948606
"1555598"	211.012706	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+K-2H"	36.948606
"944079"	219.062294	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-H+HCOOH"	44.998194
"363752"	393.126401	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+HCOOH-H"	44.998201
"346537"	407.142051	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+Hac-H"	59.013851
"1495375"	233.077951	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Hac-H"	59.013851
"959507"	241.044251	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-H+NaCOOH"	66.980151
"112188"	209.033502	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+2Cl"	69.938804
"550058"	296.065552	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+2Cl"	69.938804
"1024561"	122.001452	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2Cl"	69.938804
"1242679"	252.982985	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Br"	78.918885
"1305857"	255.038972	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Cl+HCOOH"	80.974872
"1320473"	277.020929	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Cl+NaCOOH"	102.956829
"916236"	287.049686	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M-H+CF3COOH"	112.985586
"1289417"	323.026364	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Cl+CF3COOH"	148.962264
"1369279"	139.051424	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H-2H2O"	-35.012676
"1397726"	157.0614	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H-H2O"	-17.0027
"298385"	349.135476	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+H"	1.007276
"689832"	523.199576	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+H"	1.007276
"1363264"	175.071376	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H"	1.007276
"138705"	175.071376	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+2H"	2.014552
"577539"	262.103426	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+2H"	2.014552
"1051440"	88.039326	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2H"	2.014552
"213145"	117.050009333333	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+3H"	3.021828
"646145"	175.071376	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+3H"	3.021828
"1166453"	59.0286426666667	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+3H"	3.021828
"426445"	366.162023	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+NH4"	18.033823
"788897"	540.226123	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+NH4"	18.033823
"1689245"	192.097923	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+NH4"	18.033823
"336429"	183.5846495	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+H+NH4"	19.041099
"727757"	270.6166995	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+H+NH4"	19.041099
"1482668"	96.5525995	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H+NH4"	19.041099
"395880"	371.117418	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+Na"	22.989218
"757969"	545.181518	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+Na"	22.989218
"1604000"	197.053318	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Na"	22.989218
"319381"	186.062347	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+H+Na"	23.996494
"708645"	273.094397	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+H+Na"	23.996494
"1463799"	99.030297	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H+Na"	23.996494
"1057780"	66.3559566666667	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2H+Na"	25.00377
"1259091"	207.097586	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+CH3OH+H"	33.033486
"380582"	387.091358	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+K"	38.963158
"748874"	561.155458	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+K"	38.963158
"1545459"	213.027258	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+K"	38.963158
"305919"	194.049317	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+H+K"	39.970434
"698341"	281.081367	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+H+K"	39.970434
"1459817"	107.017267	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H+K"	39.970434
"247324"	390.162026	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+ACN+H"	42.033826
"1215660"	216.097926	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+ACN+H"	42.033826
"1201728"	108.552601	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+ACN+2H"	43.041102
"197880"	393.09936	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+2Na-H"	44.97116
"637441"	567.16346	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+2Na-H"	44.97116
"1142407"	219.03526	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2Na-H"	44.97116
"182058"	197.053318	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+2Na"	45.978436
"619430"	284.085368	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+2Na"	45.978436
"1130479"	110.021268	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2Na"	45.978436
"1413637"	73.6832706666667	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H+2Na"	46.985712
"1444418"	221.076846	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H+HCOOH"	47.012746
"234112"	202.08634	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+3H2O+2H"	56.04448
"1521445"	235.12889	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+IsoProp+H"	61.06479
"420038"	205.040288	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+Na+K"	61.952376
"784314"	292.072338	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+Na+K"	61.952376
"1676635"	118.008238	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Na+K"	61.952376
"263519"	412.143968	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+ACN+Na"	64.015768
"1240237"	238.079868	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+ACN+Na"	64.015768
"1725842"	238.103393	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+NH4+HCOOH"	64.039293
"1190100"	81.0105846666667	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+3Na"	68.967654
"1664493"	243.058788	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Na+HCOOH"	68.994688
"172328"	425.04724	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+2K-H"	76.91904
"599493"	599.11134	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+2K-H"	76.91904
"1086558"	250.98314	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2K-H"	76.91904
"153214"	213.027258	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"2M+2K"	77.926316
"587307"	300.059308	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"3M+2K"	77.926316
"1075103"	125.995208	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2K"	77.926316
"1101752"	252.997692	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2K+H"	78.933592
"1342512"	253.085307	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+DMSO+H"	79.021207
"1009947"	257.124476	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2ACN+H"	83.060376
"1531358"	258.118108	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+IsoProp+Na+H"	84.054008
"996712"	129.065876	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+2ACN+2H"	84.067652
"1597777"	259.032728	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+K+HCOOH"	84.968628
"1420156"	289.064238	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+H+CF3COOH"	115.000138
"1152631"	149.579151	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+3ACN+2H"	125.094202
"1702184"	306.090785	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+NH4+CF3COOH"	132.026685
"1638930"	311.04618	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+Na+CF3COOH"	136.98208
"1578955"	327.02012	"C00439"	"N-Formimino-L-glutamate;N-Formimidoyl-L-glutamate"	"C6H10N2O4"	"174.0641"	"M+K+CF3COOH"	152.95602
"806041"	459.1866	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M"	0
"977389"	440.16821	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-H2O-H"	-19.01839
"63806"	305.117124	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M-3H"	-3.021828
"508472"	458.179324	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M-3H"	-3.021828
"880560"	152.054924	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-3H"	-3.021828
"714"	458.179324	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M-2H"	-2.014552
"443316"	687.772624	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M-2H"	-2.014552
"819659"	228.586024	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-2H"	-2.014552
"81109"	917.365924	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M-H"	-1.007276
"521762"	1376.552524	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M-H"	-1.007276
"898472"	458.179324	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-H"	-1.007276
"55038"	934.392471	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M-2H+NH4"	16.019271
"493503"	1393.579071	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M-2H+NH4"	16.019271
"872399"	475.205871	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-2H+NH4"	16.019271
"37017"	939.347866	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M-2H+Na"	20.974666
"482423"	1398.534466	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M-2H+Na"	20.974666
"862049"	480.161266	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-2H+Na"	20.974666
"1630850"	480.161266	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Na-2H"	20.974666
"106651"	476.167663	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M-H+Cl"	33.962126
"543293"	705.760963	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M-H+Cl"	33.962126
"937902"	246.574363	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-H+Cl"	33.962126
"273178"	953.342602	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+Cl"	34.969402
"665599"	1412.529202	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+Cl"	34.969402
"1278004"	494.156002	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Cl"	34.969402
"26030"	955.321806	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M-2H+K"	36.948606
"459028"	1414.508406	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M-2H+K"	36.948606
"834154"	496.135206	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-2H+K"	36.948606
"1555853"	496.135206	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+K-2H"	36.948606
"946011"	504.184794	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-H+HCOOH"	44.998194
"363497"	963.371401	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+HCOOH-H"	44.998201
"347013"	977.387051	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+Hac-H"	59.013851
"1496579"	518.200451	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Hac-H"	59.013851
"958891"	526.166751	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-H+NaCOOH"	66.980151
"112663"	494.156002	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+2Cl"	69.938804
"550400"	723.749302	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+2Cl"	69.938804
"1025765"	264.562702	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2Cl"	69.938804
"1243153"	538.105485	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Br"	78.918885
"1306695"	540.161472	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Cl+HCOOH"	80.974872
"1322367"	562.143429	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Cl+NaCOOH"	102.956829
"914888"	572.172186	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M-H+CF3COOH"	112.985586
"1290865"	608.148864	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Cl+CF3COOH"	148.962264
"1370481"	424.173924	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H-2H2O"	-35.012676
"1384698"	442.1839	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H-H2O"	-17.0027
"296789"	919.380476	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+H"	1.007276
"690797"	1378.567076	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+H"	1.007276
"1355354"	460.193876	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H"	1.007276
"138451"	460.193876	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+2H"	2.014552
"580565"	689.787176	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+2H"	2.014552
"1051550"	230.600576	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2H"	2.014552
"213984"	307.131676	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+3H"	3.021828
"647348"	460.193876	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+3H"	3.021828
"1163405"	154.069476	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+3H"	3.021828
"424726"	936.407023	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+NH4"	18.033823
"786454"	1395.593623	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+NH4"	18.033823
"1688262"	477.220423	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+NH4"	18.033823
"335445"	468.7071495	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+H+NH4"	19.041099
"727867"	698.3004495	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+H+NH4"	19.041099
"1481685"	239.1138495	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H+NH4"	19.041099
"395990"	941.362418	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+Na"	22.989218
"758078"	1400.549018	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+Na"	22.989218
"1604231"	482.175818	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Na"	22.989218
"317308"	471.184847	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+H+Na"	23.996494
"709359"	700.778147	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+H+Na"	23.996494
"1462331"	241.591547	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H+Na"	23.996494
"1055702"	161.39679	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2H+Na"	25.00377
"1258838"	492.220086	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+CH3OH+H"	33.033486
"382513"	957.336358	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+K"	38.963158
"748983"	1416.522958	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+K"	38.963158
"1551767"	498.149758	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+K"	38.963158
"306029"	479.171817	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+H+K"	39.970434
"701731"	708.765117	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+H+K"	39.970434
"1456647"	249.578517	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H+K"	39.970434
"241968"	960.407026	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+ACN+H"	42.033826
"1215768"	501.220426	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+ACN+H"	42.033826
"1199651"	251.113851	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+ACN+2H"	43.041102
"195803"	963.34436	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+2Na-H"	44.97116
"636458"	1422.53096	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+2Na-H"	44.97116
"1141058"	504.15776	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2Na-H"	44.97116
"182168"	482.175818	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+2Na"	45.978436
"619540"	711.769118	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+2Na"	45.978436
"1129615"	252.582518	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2Na"	45.978436
"1413139"	168.724104	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H+2Na"	46.985712
"1445347"	506.199346	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H+HCOOH"	47.012746
"233858"	487.20884	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+3H2O+2H"	56.04448
"1521555"	520.25139	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+IsoProp+H"	61.06479
"421241"	490.162788	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+Na+K"	61.952376
"784303"	719.756088	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+Na+K"	61.952376
"1680027"	260.569488	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Na+K"	61.952376
"266426"	982.388968	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+ACN+Na"	64.015768
"1239255"	523.202368	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+ACN+Na"	64.015768
"1725952"	523.225893	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+NH4+HCOOH"	64.039293
"1192399"	176.051418	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+3Na"	68.967654
"1664481"	528.181288	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Na+HCOOH"	68.994688
"170249"	995.29224	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+2K-H"	76.91904
"601062"	1454.47884	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+2K-H"	76.91904
"1092135"	536.10564	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2K-H"	76.91904
"150044"	498.149758	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"2M+2K"	77.926316
"590698"	727.743058	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"3M+2K"	77.926316
"1078493"	268.556458	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2K"	77.926316
"1103319"	538.120192	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2K+H"	78.933592
"1342622"	538.207807	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+DMSO+H"	79.021207
"1008964"	542.246976	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2ACN+H"	83.060376
"1526000"	543.240608	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+IsoProp+Na+H"	84.054008
"994635"	271.627126	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+2ACN+2H"	84.067652
"1588160"	544.155228	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+K+HCOOH"	84.968628
"1420266"	574.186738	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+H+CF3COOH"	115.000138
"1151648"	292.140401	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+3ACN+2H"	125.094202
"1697305"	591.213285	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+NH4+CF3COOH"	132.026685
"1637946"	596.16868	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+Na+CF3COOH"	136.98208
"1575785"	612.14262	"C00440"	"5-Methyltetrahydrofolate"	"C20H25N7O6"	"459.1866"	"M+K+CF3COOH"	152.95602
"806151"	117.0426	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M"	0
"976407"	98.02421	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-H2O-H"	-19.01839
"64648"	77.021124	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M-3H"	-3.021828
"509677"	116.035324	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M-3H"	-3.021828
"880917"	38.006924	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-3H"	-3.021828
"3865"	116.035324	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M-2H"	-2.014552
"444520"	174.556624	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M-2H"	-2.014552
"821228"	57.514024	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-2H"	-2.014552
"81220"	233.077924	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M-H"	-1.007276
"524058"	350.120524	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M-H"	-1.007276
"898218"	116.035324	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-H"	-1.007276
"55147"	250.104471	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M-2H+NH4"	16.019271
"492520"	367.147071	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M-2H+NH4"	16.019271
"868134"	133.061871	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-2H+NH4"	16.019271
"33848"	255.059866	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M-2H+Na"	20.974666
"481072"	372.102466	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M-2H+Na"	20.974666
"858875"	138.017266	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-2H+Na"	20.974666
"1629502"	138.017266	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Na-2H"	20.974666
"104936"	134.023663	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M-H+Cl"	33.962126
"540122"	192.544963	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M-H+Cl"	33.962126
"930357"	75.502363	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-H+Cl"	33.962126
"271101"	269.054602	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+Cl"	34.969402
"663522"	386.097202	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+Cl"	34.969402
"1281394"	152.012002	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Cl"	34.969402
"25045"	271.033806	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M-2H+K"	36.948606
"459137"	388.076406	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M-2H+K"	36.948606
"834022"	153.991206	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-2H+K"	36.948606
"1556171"	153.991206	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+K-2H"	36.948606
"946122"	162.040794	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-H+HCOOH"	44.998194
"361784"	279.083401	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+HCOOH-H"	44.998201
"346392"	293.099051	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+Hac-H"	59.013851
"1497782"	176.056451	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Hac-H"	59.013851
"959123"	184.022751	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-H+NaCOOH"	66.980151
"113866"	152.012002	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+2Cl"	69.938804
"550510"	210.533302	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+2Cl"	69.938804
"1026968"	93.490702	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2Cl"	69.938804
"1243992"	195.961485	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Br"	78.918885
"1307534"	198.017472	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Cl+HCOOH"	80.974872
"1322842"	219.999429	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Cl+NaCOOH"	102.956829
"913905"	230.028186	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M-H+CF3COOH"	112.985586
"1289882"	266.004864	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Cl+CF3COOH"	148.962264
"1371686"	82.029924	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H-2H2O"	-35.012676
"1385173"	100.0399	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H-H2O"	-17.0027
"293619"	235.092476	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+H"	1.007276
"690295"	352.135076	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+H"	1.007276
"1355464"	118.049876	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H"	1.007276
"135645"	118.049876	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+2H"	2.014552
"579581"	176.571176	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+2H"	2.014552
"1050930"	59.528576	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2H"	2.014552
"213365"	79.035676	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+3H"	3.021828
"645271"	118.049876	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+3H"	3.021828
"1162986"	40.021476	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+3H"	3.021828
"424841"	252.119023	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+NH4"	18.033823
"790936"	369.161623	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+NH4"	18.033823
"1686184"	135.076423	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+NH4"	18.033823
"334460"	126.5631495	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+H+NH4"	19.041099
"727976"	185.0844495	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+H+NH4"	19.041099
"1482888"	68.0418495	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H+NH4"	19.041099
"393913"	257.074418	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+Na"	22.989218
"757096"	374.117018	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+Na"	22.989218
"1607380"	140.031818	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Na"	22.989218
"319605"	129.040847	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+H+Na"	23.996494
"709108"	187.562147	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+H+Na"	23.996494
"1462199"	70.519547	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H+Na"	23.996494
"1054230"	47.34879	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2H+Na"	25.00377
"1258583"	150.076086	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+CH3OH+H"	33.033486
"378616"	273.048358	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+K"	38.963158
"748000"	390.090958	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+K"	38.963158
"1551514"	156.005758	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+K"	38.963158
"308327"	137.027817	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+H+K"	39.970434
"700749"	195.549117	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+H+K"	39.970434
"1458580"	78.506517	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H+K"	39.970434
"237706"	276.119026	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+ACN+H"	42.033826
"1213693"	159.076426	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+ACN+H"	42.033826
"1201949"	80.041851	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+ACN+2H"	43.041102
"195915"	279.05636	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+2Na-H"	44.97116
"634380"	396.09896	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+2Na-H"	44.97116
"1140075"	162.01376	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2Na-H"	44.97116
"182278"	140.031818	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+2Na"	45.978436
"626581"	198.553118	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+2Na"	45.978436
"1129724"	81.510518	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2Na"	45.978436
"1413578"	54.676104	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H+2Na"	46.985712
"1444842"	164.055346	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H+HCOOH"	47.012746
"234699"	145.06484	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+3H2O+2H"	56.04448
"1522759"	178.10739	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+IsoProp+H"	61.06479
"422688"	148.018788	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+Na+K"	61.952376
"783076"	206.540088	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+Na+K"	61.952376
"1677950"	89.497488	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Na+K"	61.952376
"264105"	298.100968	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+ACN+Na"	64.015768
"1238272"	181.058368	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+ACN+Na"	64.015768
"1719501"	181.081893	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+NH4+HCOOH"	64.039293
"1188864"	62.003418	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+3Na"	68.967654
"1664588"	186.037288	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Na+HCOOH"	68.994688
"169990"	311.00424	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+2K-H"	76.91904
"600079"	428.04684	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+2K-H"	76.91904
"1095526"	193.96164	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2K-H"	76.91904
"153435"	156.005758	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"2M+2K"	77.926316
"590808"	214.527058	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"3M+2K"	77.926316
"1080790"	97.484458	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2K"	77.926316
"1103066"	195.976192	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2K+H"	78.933592
"1343826"	196.063807	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+DMSO+H"	79.021207
"1007981"	200.102976	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2ACN+H"	83.060376
"1526833"	201.096608	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+IsoProp+Na+H"	84.054008
"993651"	100.555126	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+2ACN+2H"	84.067652
"1588271"	202.011228	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+K+HCOOH"	84.968628
"1420376"	232.042738	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+H+CF3COOH"	115.000138
"1148478"	121.068401	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+3ACN+2H"	125.094202
"1697176"	249.069285	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+NH4+CF3COOH"	132.026685
"1634895"	254.02468	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+Na+CF3COOH"	136.98208
"1572248"	269.99862	"C00441"	"L-Aspartate 4-semialdehyde;Aspartate beta-semialdehyde;L-Aspartic 4-semialdehyde"	"C4H7NO3"	"117.0426"	"M+K+CF3COOH"	152.95602
"802982"	456.1632	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M"	0
"978703"	437.14481	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-H2O-H"	-19.01839
"65852"	303.101524	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M-3H"	-3.021828
"507599"	455.155924	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M-3H"	-3.021828
"881026"	151.047124	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-3H"	-3.021828
"5068"	455.155924	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M-2H"	-2.014552
"444630"	683.237524	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M-2H"	-2.014552
"822430"	227.074324	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-2H"	-2.014552
"84613"	911.319124	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M-H"	-1.007276
"520891"	1367.482324	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M-H"	-1.007276
"898326"	455.155924	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-H"	-1.007276
"49784"	928.345671	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M-2H+NH4"	16.019271
"490073"	1384.508871	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M-2H+NH4"	16.019271
"867147"	472.182471	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-2H+NH4"	16.019271
"33963"	933.301066	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M-2H+Na"	20.974666
"484462"	1389.464266	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M-2H+Na"	20.974666
"864132"	477.137866	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-2H+Na"	20.974666
"1629613"	477.137866	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Na-2H"	20.974666
"107234"	473.144263	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M-H+Cl"	33.962126
"543513"	701.225863	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M-H+Cl"	33.962126
"939215"	245.062663	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-H+Cl"	33.962126
"276679"	947.295802	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+Cl"	34.969402
"663632"	1403.459002	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+Cl"	34.969402
"1281504"	491.132602	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Cl"	34.969402
"27342"	949.275006	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M-2H+K"	36.948606
"462528"	1405.438206	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M-2H+K"	36.948606
"835227"	493.111806	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-2H+K"	36.948606
"1556161"	493.111806	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+K-2H"	36.948606
"944409"	501.161394	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-H+HCOOH"	44.998194
"365540"	957.324601	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+HCOOH-H"	44.998201
"347958"	971.340251	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+Hac-H"	59.013851
"1499353"	515.177051	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Hac-H"	59.013851
"962521"	523.143351	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-H+NaCOOH"	66.980151
"111790"	491.132602	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+2Cl"	69.938804
"551348"	719.214202	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+2Cl"	69.938804
"1023792"	263.051002	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2Cl"	69.938804
"1248114"	535.082085	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Br"	78.918885
"1309469"	537.138072	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Cl+HCOOH"	80.974872
"1326964"	559.120029	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Cl+NaCOOH"	102.956829
"915834"	569.148786	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M-H+CF3COOH"	112.985586
"1291083"	605.125464	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Cl+CF3COOH"	148.962264
"1370707"	421.150524	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H-2H2O"	-35.012676
"1386021"	439.1605	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H-H2O"	-17.0027
"284978"	913.333676	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+H"	1.007276
"689432"	1369.496876	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+H"	1.007276
"1357397"	457.170476	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H"	1.007276
"127367"	457.170476	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+2H"	2.014552
"566929"	685.252076	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+2H"	2.014552
"1047396"	229.088876	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2H"	2.014552
"210194"	305.116076	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+3H"	3.021828
"649755"	457.170476	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+3H"	3.021828
"1165687"	153.061676	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+3H"	3.021828
"424380"	930.360223	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+NH4"	18.033823
"788871"	1386.523423	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+NH4"	18.033823
"1686293"	474.197023	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+NH4"	18.033823
"335666"	465.6837495	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+H+NH4"	19.041099
"729178"	693.7653495	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+H+NH4"	19.041099
"1477651"	237.6021495	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H+NH4"	19.041099
"395117"	935.315618	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+Na"	22.989218
"755743"	1391.478818	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+Na"	22.989218
"1606390"	479.152418	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Na"	22.989218
"316794"	468.161447	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+H+Na"	23.996494
"708853"	696.243047	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+H+Na"	23.996494
"1461495"	240.079847	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H+Na"	23.996494
"1053366"	160.38899	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2H+Na"	25.00377
"1258085"	489.196686	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+CH3OH+H"	33.033486
"380918"	951.289558	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+K"	38.963158
"741549"	1407.452758	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+K"	38.963158
"1547980"	495.126358	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+K"	38.963158
"304062"	476.148417	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+H+K"	39.970434
"698671"	704.230017	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+H+K"	39.970434
"1453587"	248.066817	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H+K"	39.970434
"241097"	954.360226	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+ACN+H"	42.033826
"1215992"	498.197026	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+ACN+H"	42.033826
"1199872"	249.602151	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+ACN+2H"	43.041102
"192016"	957.29756	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+2Na-H"	44.97116
"635584"	1413.46076	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+2Na-H"	44.97116
"1140191"	501.13436	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2Na-H"	44.97116
"186037"	479.152418	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+2Na"	45.978436
"625962"	707.234018	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+2Na"	45.978436
"1129713"	251.070818	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2Na"	45.978436
"1413481"	167.716304	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H+2Na"	46.985712
"1445320"	503.175946	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H+HCOOH"	47.012746
"235541"	484.18544	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+3H2O+2H"	56.04448
"1523356"	517.22799	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+IsoProp+H"	61.06479
"423407"	487.139388	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+Na+K"	61.952376
"782821"	715.220988	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+Na+K"	61.952376
"1677329"	259.057788	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Na+K"	61.952376
"265308"	976.342168	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+ACN+Na"	64.015768
"1232911"	520.178968	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+ACN+Na"	64.015768
"1718518"	520.202493	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+NH4+HCOOH"	64.039293
"1184964"	175.043618	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+3Na"	68.967654
"1657044"	525.157888	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Na+HCOOH"	68.994688
"160626"	989.24544	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+2K-H"	76.91904
"602376"	1445.40864	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+2K-H"	76.91904
"1095636"	533.08224	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2K-H"	76.91904
"153545"	495.126358	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"2M+2K"	77.926316
"586547"	723.207958	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"3M+2K"	77.926316
"1069968"	267.044758	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2K"	77.926316
"1101715"	535.096792	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2K+H"	78.933592
"1338468"	535.184407	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+DMSO+H"	79.021207
"1011367"	539.223576	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2ACN+H"	83.060376
"1527307"	540.217208	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+IsoProp+Na+H"	84.054008
"991569"	270.115426	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+2ACN+2H"	84.067652
"1588625"	541.131828	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+K+HCOOH"	84.968628
"1416113"	571.163338	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+H+CF3COOH"	115.000138
"1147857"	290.628701	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+3ACN+2H"	125.094202
"1698375"	588.189885	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+NH4+CF3COOH"	132.026685
"1639260"	593.14528	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+Na+CF3COOH"	136.98208
"1585849"	609.11922	"C00445"	"510-Methenyltetrahydrofolate"	"C20H22N7O6"	"456.1632"	"M+K+CF3COOH"	152.95602
"803092"	260.0297	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"976627"	241.01131	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"65963"	172.345857333333	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"503458"	259.022424	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"880195"	85.6692906666667	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"2992"	259.022424	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"444740"	389.037274	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"820354"	129.007574	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"79257"	519.052124	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"518604"	779.081824	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"896488"	259.022424	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"48434"	536.078671	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"487268"	796.108371	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"864460"	276.048971	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"34073"	541.034066	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"483479"	801.063766	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"861283"	281.004366	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1629723"	281.004366	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"102971"	277.010763	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"538156"	407.025613	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"934952"	146.995913	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"269499"	555.028802	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"662283"	815.058502	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1272977"	294.999102	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"23078"	557.008006	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"460452"	817.037706	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"835701"	296.978306	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1555820"	296.978306	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"944519"	305.027894	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"363827"	565.057601	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"346980"	579.073251	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1493994"	319.043551	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"960070"	327.009851	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"110144"	294.999102	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"551090"	425.013952	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1022078"	164.984252	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1248224"	338.948585	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1311766"	341.004572	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1325981"	362.986529	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"914851"	373.015286	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1289738"	408.991964	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1369724"	225.017024	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1383944"	243.027	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"285088"	521.066676	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"688449"	781.096376	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1360423"	261.036976	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"127478"	261.036976	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"569226"	391.051826	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1047870"	131.022126	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"214314"	174.360409333333	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"649865"	261.036976	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1165797"	87.6838426666667	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"424694"	538.093223	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"788981"	798.122923	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1686403"	278.063523	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"335776"	269.5502495	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"726009"	399.5650995	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1478368"	139.5353995	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"395227"	543.048618	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"757311"	803.078318	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1607594"	283.018918	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"319819"	272.027947	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"709327"	402.042797	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1467153"	142.013097	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054325"	95.0111566666667	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1258923"	293.063186	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"378477"	559.022558	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"739590"	819.052258	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1541890"	298.992858	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"304172"	280.014917	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"698781"	410.029767	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1450414"	150.000067	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"236828"	562.093226	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1210270"	302.063526	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1201074"	151.535401	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"195038"	565.03056	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"635693"	825.06026	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1137022"	305.00086	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"182499"	283.018918	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"627164"	413.033768	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1128848"	153.004068	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1412254"	102.338470666667	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1444372"	307.042446	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"235040"	288.05194	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1523952"	321.09449	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"420843"	291.005888	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"782202"	421.020738	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1676710"	160.991038	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"263230"	584.075168	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1231928"	324.045468	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1717534"	324.068993	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1183980"	109.665784666667	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1657153"	329.024388	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"158914"	596.97844	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"602486"	857.00814	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1092465"	336.94874	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"150375"	298.992858	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"584470"	429.007708	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1069713"	168.978008	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1101096"	338.963292	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1336513"	339.050907	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1006374"	343.090076	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1525229"	344.083708	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"991680"	172.048676	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1588003"	344.998328	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1416223"	375.029838	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1147163"	192.561951	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1697632"	392.056385	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1639370"	397.01178	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1585959"	412.98572	"C00446"	"alpha-D-Galactose 1-phosphate;alpha-D-Galactopyranose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"813045"	370.0066	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M"	0
"977832"	350.98821	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-H2O-H"	-19.01839
"66075"	245.663790666667	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M-3H"	-3.021828
"503688"	368.999324	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M-3H"	-3.021828
"881610"	122.328257333333	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-3H"	-3.021828
"2009"	368.999324	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H"	-2.014552
"440841"	554.002624	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H"	-2.014552
"822652"	183.996024	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-2H"	-2.014552
"80460"	739.005924	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M-H"	-1.007276
"520141"	1109.012524	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M-H"	-1.007276
"901104"	368.999324	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-H"	-1.007276
"53291"	756.032471	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+NH4"	16.019271
"487982"	1126.039071	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+NH4"	16.019271
"867370"	386.025871	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+NH4"	16.019271
"38556"	760.987866	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+Na"	20.974666
"484682"	1130.994466	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+Na"	20.974666
"860300"	390.981266	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+Na"	20.974666
"1626552"	390.981266	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Na-2H"	20.974666
"97614"	386.987663	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M-H+Cl"	33.962126
"534574"	571.990963	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M-H+Cl"	33.962126
"931781"	201.984363	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-H+Cl"	33.962126
"268880"	774.982602	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+Cl"	34.969402
"663488"	1144.989202	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+Cl"	34.969402
"1275528"	404.976002	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl"	34.969402
"20998"	776.961806	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+K"	36.948606
"456549"	1146.968406	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+K"	36.948606
"835078"	406.955206	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+K"	36.948606
"1560755"	406.955206	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+K-2H"	36.948606
"947544"	415.004794	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-H+HCOOH"	44.998194
"364663"	785.011401	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+HCOOH-H"	44.998201
"347818"	799.027051	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+Hac-H"	59.013851
"1497022"	429.020451	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Hac-H"	59.013851
"960181"	436.986751	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-H+NaCOOH"	66.980151
"111396"	404.976002	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Cl"	69.938804
"553031"	589.979302	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Cl"	69.938804
"1028027"	219.972702	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2Cl"	69.938804
"1248338"	448.925485	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Br"	78.918885
"1312972"	450.981472	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+HCOOH"	80.974872
"1325364"	472.963429	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+NaCOOH"	102.956829
"921526"	482.992186	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M-H+CF3COOH"	112.985586
"1292770"	518.968864	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+CF3COOH"	148.962264
"1371294"	334.993924	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H-2H2O"	-35.012676
"1383689"	353.0039	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H-H2O"	-17.0027
"283740"	741.020476	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+H"	1.007276
"688559"	1111.027076	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+H"	1.007276
"1361261"	371.013876	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H"	1.007276
"126615"	371.013876	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+2H"	2.014552
"579547"	556.017176	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+2H"	2.014552
"1044700"	186.010576	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2H"	2.014552
"205429"	247.678342666667	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+3H"	3.021828
"649975"	371.013876	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+3H"	3.021828
"1164813"	124.342809333333	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+3H"	3.021828
"424925"	758.047023	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+NH4"	18.033823
"794559"	1128.053623	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+NH4"	18.033823
"1684328"	388.040423	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4"	18.033823
"335885"	379.5271495	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+NH4"	19.041099
"727212"	564.5304495	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+NH4"	19.041099
"1477386"	194.5238495	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H+NH4"	19.041099
"394241"	763.002418	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+Na"	22.989218
"755479"	1133.009018	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+Na"	22.989218
"1603699"	392.995818	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Na"	22.989218
"315558"	382.004847	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+Na"	23.996494
"709197"	567.008147	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+Na"	23.996494
"1462526"	197.001547	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H+Na"	23.996494
"1053954"	131.670123333333	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2H+Na"	25.00377
"1261102"	403.040086	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+CH3OH+H"	33.033486
"377978"	778.976358	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+K"	38.963158
"743957"	1148.982958	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+K"	38.963158
"1544919"	408.969758	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+K"	38.963158
"299180"	389.991817	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+K"	39.970434
"694517"	574.995117	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+K"	39.970434
"1448703"	204.988517	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H+K"	39.970434
"240218"	782.047026	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+ACN+H"	42.033826
"1212928"	412.040426	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+H"	42.033826
"1196084"	206.523851	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+2H"	43.041102
"191869"	784.98436	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Na-H"	44.97116
"631429"	1154.99096	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Na-H"	44.97116
"1144065"	414.97776	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2Na-H"	44.97116
"186382"	392.995818	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Na"	45.978436
"626188"	577.999118	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Na"	45.978436
"1129450"	207.992518	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2Na"	45.978436
"1414035"	138.997437333333	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H+2Na"	46.985712
"1442780"	417.019346	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H+HCOOH"	47.012746
"233814"	398.02884	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+3H2O+2H"	56.04448
"1523985"	431.07139	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+IsoProp+H"	61.06479
"422655"	400.982788	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+Na+K"	61.952376
"783650"	585.986088	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+Na+K"	61.952376
"1677548"	215.979488	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+K"	61.952376
"261514"	804.028968	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+ACN+Na"	64.015768
"1227299"	434.022368	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+Na"	64.015768
"1719831"	434.045893	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4+HCOOH"	64.039293
"1185186"	146.324751333333	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+3Na"	68.967654
"1653985"	439.001288	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+HCOOH"	68.994688
"166318"	816.93224	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+2K-H"	76.91904
"609159"	1186.93884	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+2K-H"	76.91904
"1094764"	446.92564	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2K-H"	76.91904
"146113"	408.969758	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"2M+2K"	77.926316
"584581"	593.973058	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"3M+2K"	77.926316
"1078938"	223.966458	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2K"	77.926316
"1106680"	448.940192	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2K+H"	78.933592
"1336503"	449.027807	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+DMSO+H"	79.021207
"1009408"	453.066976	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2ACN+H"	83.060376
"1533002"	454.060608	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+IsoProp+Na+H"	84.054008
"999450"	227.037126	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+2ACN+2H"	84.067652
"1598328"	454.975228	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+K+HCOOH"	84.968628
"1417427"	485.006738	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+H+CF3COOH"	115.000138
"1152089"	247.550401	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+3ACN+2H"	125.094202
"1697258"	502.033285	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4+CF3COOH"	132.026685
"1637292"	506.98868	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+CF3COOH"	136.98208
"1586069"	522.96262	"C00447"	"Sedoheptulose 17-bisphosphate;D-Sedoheptulose 17-bisphosphate;D-altro-Heptulose 17-biphosphate"	"C7H16O13P2"	"370.0066"	"M+K+CF3COOH"	152.95602
"809875"	382.131	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M"	0
"983409"	363.11261	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H2O-H"	-19.01839
"66185"	253.746724	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-3H"	-3.021828
"506838"	381.123724	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-3H"	-3.021828
"884641"	126.369724	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-3H"	-3.021828
"3216"	381.123724	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H"	-2.014552
"440951"	572.189224	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H"	-2.014552
"821669"	190.058224	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H"	-2.014552
"80324"	763.254724	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-H"	-1.007276
"519884"	1145.385724	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-H"	-1.007276
"901214"	381.123724	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H"	-1.007276
"53401"	780.281271	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+NH4"	16.019271
"490776"	1162.412271	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+NH4"	16.019271
"866631"	398.150271	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+NH4"	16.019271
"39762"	785.236666	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+Na"	20.974666
"483698"	1167.367666	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+Na"	20.974666
"861504"	403.105666	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+Na"	20.974666
"1625570"	403.105666	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na-2H"	20.974666
"98817"	399.112063	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-H+Cl"	33.962126
"534686"	590.177563	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-H+Cl"	33.962126
"928975"	208.046563	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+Cl"	33.962126
"270813"	799.231402	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Cl"	34.969402
"665421"	1181.362402	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Cl"	34.969402
"1274910"	417.100402	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl"	34.969402
"18193"	801.210606	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+K"	36.948606
"458848"	1183.341606	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+K"	36.948606
"835557"	419.079606	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+K"	36.948606
"1556857"	419.079606	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K-2H"	36.948606
"950936"	427.129194	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+HCOOH"	44.998194
"365141"	809.260201	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+HCOOH-H"	44.998201
"347930"	823.275851	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Hac-H"	59.013851
"1494944"	441.144851	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Hac-H"	59.013851
"959685"	449.111151	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+NaCOOH"	66.980151
"112851"	417.100402	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Cl"	69.938804
"553505"	608.165902	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Cl"	69.938804
"1029964"	226.034902	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Cl"	69.938804
"1245897"	461.049885	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Br"	78.918885
"1308344"	463.105872	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+HCOOH"	80.974872
"1323653"	485.087829	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+NaCOOH"	102.956829
"918358"	495.116586	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+CF3COOH"	112.985586
"1298344"	531.093264	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+CF3COOH"	148.962264
"1368852"	347.118324	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H-2H2O"	-35.012676
"1382823"	365.1283	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H-H2O"	-17.0027
"286768"	765.269276	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H"	1.007276
"678824"	1147.400276	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H"	1.007276
"1358091"	383.138276	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H"	1.007276
"130980"	383.138276	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2H"	2.014552
"574917"	574.203776	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2H"	2.014552
"1045903"	192.072776	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2H"	2.014552
"213803"	255.761276	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+3H"	3.021828
"651179"	383.138276	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+3H"	3.021828
"1164925"	128.384276	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3H"	3.021828
"425404"	782.295823	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+NH4"	18.033823
"795763"	1164.426823	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+NH4"	18.033823
"1688814"	400.164823	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4"	18.033823
"335269"	391.6515495	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+NH4"	19.041099
"727690"	582.7170495	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+NH4"	19.041099
"1482603"	200.5860495	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+NH4"	19.041099
"396542"	787.251218	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Na"	22.989218
"754862"	1169.382218	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Na"	22.989218
"1604052"	405.120218	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na"	22.989218
"315667"	394.129247	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+Na"	23.996494
"709186"	585.194747	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+Na"	23.996494
"1463006"	203.063747	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+Na"	23.996494
"1054430"	135.71159	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2H+Na"	25.00377
"1259391"	415.164486	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+CH3OH+H"	33.033486
"378332"	803.225158	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+K"	38.963158
"742974"	1185.356158	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+K"	38.963158
"1543936"	421.094158	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K"	38.963158
"303302"	402.116217	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+K"	39.970434
"693536"	593.181717	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+K"	39.970434
"1448813"	211.050717	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+K"	39.970434
"241421"	806.295826	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+ACN+H"	42.033826
"1216316"	424.164826	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+H"	42.033826
"1198016"	212.586051	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+2H"	43.041102
"194165"	809.23316	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Na-H"	44.97116
"634818"	1191.36416	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Na-H"	44.97116
"1143445"	427.10216	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Na-H"	44.97116
"185883"	405.120218	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Na"	45.978436
"626054"	596.185718	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Na"	45.978436
"1129195"	214.054718	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Na"	45.978436
"1412971"	143.038904	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+2Na"	46.985712
"1444715"	429.143746	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+HCOOH"	47.012746
"234409"	410.15324	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+3H2O+2H"	56.04448
"1523326"	443.19579	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+IsoProp+H"	61.06479
"422522"	413.107188	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Na+K"	61.952376
"784246"	604.172688	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Na+K"	61.952376
"1677658"	222.041688	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+K"	61.952376
"261624"	828.277768	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+ACN+Na"	64.015768
"1227045"	446.146768	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+Na"	64.015768
"1716661"	446.170293	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4+HCOOH"	64.039293
"1184203"	150.366218	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3Na"	68.967654
"1653002"	451.125688	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+HCOOH"	68.994688
"159866"	841.18104	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2K-H"	76.91904
"609269"	1223.31204	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2K-H"	76.91904
"1094874"	459.05004	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K-H"	76.91904
"146223"	421.094158	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2K"	77.926316
"583599"	612.159658	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2K"	77.926316
"1079048"	230.028658	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K"	77.926316
"1104603"	461.064592	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K+H"	78.933592
"1335923"	461.152207	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+DMSO+H"	79.021207
"1009518"	465.191376	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2ACN+H"	83.060376
"1533112"	466.185008	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+IsoProp+Na+H"	84.054008
"999560"	233.099326	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2ACN+2H"	84.067652
"1599532"	467.099628	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K+HCOOH"	84.968628
"1419724"	497.131138	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+CF3COOH"	115.000138
"1148918"	253.612601	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3ACN+2H"	125.094202
"1700657"	514.157685	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4+CF3COOH"	132.026685
"1639590"	519.11308	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+CF3COOH"	136.98208
"1586179"	535.08702	"C00448"	"transtrans-Farnesyl diphosphate;Farnesyl diphosphate;Farnesyl pyrophosphate;2-trans6-trans-Farnesyl diphosphate;(2E6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K+CF3COOH"	152.95602
"806705"	276.1321	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M"	0
"980238"	257.11371	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-H2O-H"	-19.01839
"67387"	183.080790666667	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M-3H"	-3.021828
"503664"	275.124824	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M-3H"	-3.021828
"881831"	91.0367573333333	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-3H"	-3.021828
"3326"	275.124824	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M-2H"	-2.014552
"441425"	413.190874	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M-2H"	-2.014552
"821778"	137.058774	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-2H"	-2.014552
"81773"	551.256924	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M-H"	-1.007276
"519631"	827.389024	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M-H"	-1.007276
"901324"	275.124824	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-H"	-1.007276
"52418"	568.283471	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M-2H+NH4"	16.019271
"490886"	844.415571	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M-2H+NH4"	16.019271
"867592"	292.151371	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-2H+NH4"	16.019271
"39872"	573.238866	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M-2H+Na"	20.974666
"482351"	849.370966	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M-2H+Na"	20.974666
"861615"	297.106766	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-2H+Na"	20.974666
"1626774"	297.106766	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Na-2H"	20.974666
"101113"	293.113163	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M-H+Cl"	33.962126
"534838"	431.179213	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M-H+Cl"	33.962126
"927623"	155.047113	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-H+Cl"	33.962126
"270559"	587.233602	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+Cl"	34.969402
"665167"	863.365702	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+Cl"	34.969402
"1275020"	311.101502	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Cl"	34.969402
"19399"	589.212806	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M-2H+K"	36.948606
"459687"	865.344906	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M-2H+K"	36.948606
"836031"	313.080706	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-2H+K"	36.948606
"1563163"	313.080706	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+K-2H"	36.948606
"951046"	321.130294	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-H+HCOOH"	44.998194
"364886"	597.262401	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+HCOOH-H"	44.998201
"349499"	611.278051	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+Hac-H"	59.013851
"1496878"	335.145951	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Hac-H"	59.013851
"959677"	343.112251	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-H+NaCOOH"	66.980151
"113325"	311.101502	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+2Cl"	69.938804
"553251"	449.167552	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+2Cl"	69.938804
"1031167"	173.035452	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2Cl"	69.938804
"1247464"	355.050985	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Br"	78.918885
"1309547"	357.106972	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Cl+HCOOH"	80.974872
"1325222"	379.088929	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Cl+NaCOOH"	102.956829
"918468"	389.117686	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M-H+CF3COOH"	112.985586
"1301735"	425.094364	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Cl+CF3COOH"	148.962264
"1368962"	241.119424	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H-2H2O"	-35.012676
"1383908"	259.1294	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H-H2O"	-17.0027
"288337"	553.271476	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+H"	1.007276
"679298"	829.403576	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+H"	1.007276
"1358201"	277.139376	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H"	1.007276
"131090"	277.139376	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+2H"	2.014552
"575027"	415.205426	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+2H"	2.014552
"1039451"	139.073326	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2H"	2.014552
"210633"	185.095342666667	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+3H"	3.021828
"653475"	277.139376	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+3H"	3.021828
"1166129"	93.0513093333333	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+3H"	3.021828
"426123"	570.298023	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+NH4"	18.033823
"789312"	846.430123	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+NH4"	18.033823
"1684546"	294.165923	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+NH4"	18.033823
"336108"	285.6526495	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+H+NH4"	19.041099
"727435"	423.7186995	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+H+NH4"	19.041099
"1478701"	147.5865995	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H+NH4"	19.041099
"395193"	575.253418	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+Na"	22.989218
"754969"	851.385518	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+Na"	22.989218
"1604524"	299.121318	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Na"	22.989218
"315291"	288.130347	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+H+Na"	23.996494
"708567"	426.196397	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+H+Na"	23.996494
"1462628"	150.064297	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H+Na"	23.996494
"1054540"	100.378623333333	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2H+Na"	25.00377
"1261320"	309.165586	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+CH3OH+H"	33.033486
"380992"	591.227358	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+K"	38.963158
"742352"	867.359458	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+K"	38.963158
"1542223"	315.095258	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+K"	38.963158
"303412"	296.117317	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+H+K"	39.970434
"693646"	434.183367	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+H+K"	39.970434
"1449652"	158.051267	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H+K"	39.970434
"242624"	594.298026	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+ACN+H"	42.033826
"1216428"	318.165926	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+ACN+H"	42.033826
"1199219"	159.586601	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+ACN+2H"	43.041102
"192089"	597.23536	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+2Na-H"	44.97116
"632743"	873.36746	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+2Na-H"	44.97116
"1145618"	321.10326	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2Na-H"	44.97116
"186477"	299.121318	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+2Na"	45.978436
"626892"	437.187368	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+2Na"	45.978436
"1130033"	161.055268	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2Na"	45.978436
"1414006"	107.705937333333	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H+2Na"	46.985712
"1444094"	323.144846	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H+HCOOH"	47.012746
"235010"	304.15434	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+3H2O+2H"	56.04448
"1522947"	337.19689	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+IsoProp+H"	61.06479
"423242"	307.108288	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+Na+K"	61.952376
"781074"	445.174338	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+Na+K"	61.952376
"1678132"	169.042238	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Na+K"	61.952376
"261734"	616.279968	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+ACN+Na"	64.015768
"1227885"	340.147868	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+ACN+Na"	64.015768
"1716772"	340.171393	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+NH4+HCOOH"	64.039293
"1182127"	115.033251333333	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+3Na"	68.967654
"1655299"	345.126788	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Na+HCOOH"	68.994688
"161069"	629.18324	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+2K-H"	76.91904
"606098"	905.31534	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+2K-H"	76.91904
"1094984"	353.05114	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2K-H"	76.91904
"148520"	315.095258	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"2M+2K"	77.926316
"590269"	453.161308	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"3M+2K"	77.926316
"1078065"	177.029208	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2K"	77.926316
"1104713"	355.065692	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2K+H"	78.933592
"1336719"	355.153307	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+DMSO+H"	79.021207
"1009628"	359.192476	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2ACN+H"	83.060376
"1532129"	360.186108	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+IsoProp+Na+H"	84.054008
"998577"	180.099876	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+2ACN+2H"	84.067652
"1600372"	361.100728	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+K+HCOOH"	84.968628
"1419834"	391.132238	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+H+CF3COOH"	115.000138
"1149028"	200.613151	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+3ACN+2H"	125.094202
"1699674"	408.158785	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+NH4+CF3COOH"	132.026685
"1638607"	413.11418	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+Na+CF3COOH"	136.98208
"1586289"	429.08812	"C00449"	"N6-(L-13-Dicarboxypropyl)-L-lysine;Saccharopine;L-Saccharopine;N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid"	"C11H20N2O6"	"276.1321"	"M+K+CF3COOH"	152.95602
"810095"	127.0633	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M"	0
"983628"	108.04491	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-H2O-H"	-19.01839
"70778"	83.7015906666667	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M-3H"	-3.021828
"505963"	126.056024	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M-3H"	-3.021828
"885951"	41.3471573333333	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-3H"	-3.021828
"5620"	126.056024	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H"	-2.014552
"442265"	189.587674	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H"	-2.014552
"821887"	62.524374	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H"	-2.014552
"84070"	253.119324	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M-H"	-1.007276
"520835"	380.182624	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M-H"	-1.007276
"903621"	126.056024	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-H"	-1.007276
"53621"	270.145871	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H+NH4"	16.019271
"492089"	397.209171	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H+NH4"	16.019271
"866609"	143.082571	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H+NH4"	16.019271
"42169"	275.101266	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H+Na"	20.974666
"474195"	402.164566	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H+Na"	20.974666
"858445"	148.037966	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H+Na"	20.974666
"1625791"	148.037966	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na-2H"	20.974666
"102317"	144.044363	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M-H+Cl"	33.962126
"535312"	207.576013	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M-H+Cl"	33.962126
"928586"	80.512713	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+Cl"	33.962126
"271397"	289.096002	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Cl"	34.969402
"667464"	416.159302	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+Cl"	34.969402
"1275858"	162.032702	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl"	34.969402
"20238"	291.075206	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H+K"	36.948606
"464171"	418.138506	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H+K"	36.948606
"836141"	164.011906	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H+K"	36.948606
"1563273"	164.011906	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+K-2H"	36.948606
"951156"	172.061494	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+HCOOH"	44.998194
"364632"	299.124801	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+HCOOH-H"	44.998201
"348513"	313.140451	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Hac-H"	59.013851
"1493577"	186.077151	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Hac-H"	59.013851
"959423"	194.043451	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+NaCOOH"	66.980151
"113799"	162.032702	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2Cl"	69.938804
"555913"	225.564352	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2Cl"	69.938804
"1027265"	98.501052	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2Cl"	69.938804
"1248667"	205.982185	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Br"	78.918885
"1310386"	208.038172	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl+HCOOH"	80.974872
"1327519"	230.020129	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl+NaCOOH"	102.956829
"916391"	240.048886	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+CF3COOH"	112.985586
"1295284"	276.025564	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl+CF3COOH"	148.962264
"1370529"	92.050624	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H-2H2O"	-35.012676
"1387665"	110.0606	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H-H2O"	-17.0027
"284796"	255.133876	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H"	1.007276
"677220"	382.197176	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H"	1.007276
"1354300"	128.070576	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H"	1.007276
"132293"	128.070576	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2H"	2.014552
"578417"	191.602226	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2H"	2.014552
"1042841"	64.538926	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2H"	2.014552
"207462"	85.7161426666667	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+3H"	3.021828
"652491"	128.070576	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+3H"	3.021828
"1169520"	43.3617093333333	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+3H"	3.021828
"431701"	272.160423	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+NH4"	18.033823
"792702"	399.223723	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+NH4"	18.033823
"1683563"	145.097123	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+NH4"	18.033823
"331840"	136.5838495	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H+NH4"	19.041099
"727543"	200.1154995	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H+NH4"	19.041099
"1479175"	73.0521995	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+NH4"	19.041099
"393965"	277.115818	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Na"	22.989218
"754755"	404.179118	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+Na"	22.989218
"1604027"	150.052518	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na"	22.989218
"315280"	139.061547	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H+Na"	23.996494
"708187"	202.593197	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H+Na"	23.996494
"1461887"	75.529897	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+Na"	23.996494
"1054650"	50.6890233333333	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2H+Na"	25.00377
"1260337"	160.096786	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+CH3OH+H"	33.033486
"382195"	293.089758	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+K"	38.963158
"744285"	420.153058	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+K"	38.963158
"1543062"	166.026458	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+K"	38.963158
"303522"	147.048517	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H+K"	39.970434
"694849"	210.580167	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H+K"	39.970434
"1450855"	83.516867	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+K"	39.970434
"241641"	296.160426	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+ACN+H"	42.033826
"1216538"	169.097126	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+ACN+H"	42.033826
"1199329"	85.052201	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+ACN+2H"	43.041102
"192199"	299.09776	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2Na-H"	44.97116
"630667"	426.16106	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2Na-H"	44.97116
"1144392"	172.03446	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2Na-H"	44.97116
"184035"	150.052518	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2Na"	45.978436
"625056"	213.584168	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2Na"	45.978436
"1126008"	86.520868	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2Na"	45.978436
"1407346"	58.0163373333333	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+2Na"	46.985712
"1444932"	174.076046	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+HCOOH"	47.012746
"235117"	155.08554	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+3H2O+2H"	56.04448
"1521232"	188.12809	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+IsoProp+H"	61.06479
"418001"	158.039488	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Na+K"	61.952376
"778997"	221.571138	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+Na+K"	61.952376
"1672044"	94.507838	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na+K"	61.952376
"254190"	318.142368	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+ACN+Na"	64.015768
"1230181"	191.079068	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+ACN+Na"	64.015768
"1716880"	191.102593	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+NH4+HCOOH"	64.039293
"1185516"	65.3436513333333	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+3Na"	68.967654
"1655408"	196.057988	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na+HCOOH"	68.994688
"161176"	331.04564	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2K-H"	76.91904
"604019"	458.10894	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2K-H"	76.91904
"1091813"	203.98234	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2K-H"	76.91904
"148629"	166.026458	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2K"	77.926316
"594755"	229.558108	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2K"	77.926316
"1078176"	102.494808	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2K"	77.926316
"1107010"	205.996892	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2K+H"	78.933592
"1336466"	206.084507	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+DMSO+H"	79.021207
"1008645"	210.123676	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2ACN+H"	83.060376
"1532239"	211.117308	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+IsoProp+Na+H"	84.054008
"997594"	105.565476	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+2ACN+2H"	84.067652
"1601213"	212.031928	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+K+HCOOH"	84.968628
"1423224"	242.063438	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+CF3COOH"	115.000138
"1149138"	126.078751	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+3ACN+2H"	125.094202
"1699784"	259.089985	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+NH4+CF3COOH"	132.026685
"1638717"	264.04538	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na+CF3COOH"	136.98208
"1586399"	280.01932	"C00450"	"(S)-2345-Tetrahydropyridine-2-carboxylate;delta1-Piperideine-6-L-carboxylate"	"C6H9NO2"	"127.0633"	"M+K+CF3COOH"	152.95602
"804738"	192.027	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M"	0
"977177"	173.00861	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"68700"	127.010724	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"507167"	191.019724	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"883874"	63.001724	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"4636"	191.019724	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"443468"	287.033224	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"823089"	95.006224	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"81993"	383.046724	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"520095"	575.073724	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"903730"	191.019724	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"54824"	400.073271	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"492199"	592.100271	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"865625"	208.046271	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"33525"	405.028666	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"474185"	597.055666	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"855270"	213.001666	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1626993"	213.001666	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"102429"	209.008063	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"543083"	305.021563	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"928575"	112.994563	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"268955"	419.023402	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"665387"	611.050402	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1278885"	226.996402	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"21441"	421.002606	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"458448"	613.029606	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"834063"	228.975606	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1560831"	228.975606	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"947986"	237.025194	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"365470"	429.052201	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"347165"	443.067851	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1493810"	251.040851	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"958804"	259.007151	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"113545"	226.996402	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"556023"	323.009902	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1028104"	130.982902	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1248777"	270.945885	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1309039"	273.001872	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1329815"	294.983829	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"915771"	305.012586	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1293207"	340.989264	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1369910"	157.014324	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1387775"	175.0243	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"285271"	385.061276	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"686445"	577.088276	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1353315"	193.034276	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H"	1.007276
"129122"	193.034276	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"574152"	289.047776	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1041125"	97.020776	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"214130"	129.025276	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"651507"	193.034276	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1174732"	65.016276	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"433996"	402.087823	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"796812"	594.114823	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1686953"	210.060823	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"331950"	201.5475495	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"727653"	297.5610495	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1478190"	105.5340495	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"394684"	407.043218	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"754949"	599.070218	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1604867"	215.016218	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"317092"	204.025247	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"710606"	300.038747	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1465153"	108.011747	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1055124"	72.34359	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1257244"	225.060486	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"383398"	423.017158	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"743666"	615.044158	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1544264"	230.990158	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+K"	38.963158
"308004"	212.012217	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"697145"	308.025717	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1450964"	115.998717	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"240658"	426.087826	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1215553"	234.060826	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1196157"	117.534051	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"189069"	429.02516	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"630776"	621.05216	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1145113"	236.99816	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"186332"	215.016218	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"625530"	311.029718	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1126118"	119.002718	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1407456"	79.670904	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1439571"	239.039746	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"234373"	220.04924	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1521341"	253.09179	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"421028"	223.003188	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"776920"	319.016688	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1671061"	126.989688	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"260860"	448.069768	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1231384"	256.042768	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1718083"	256.066293	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1187812"	86.998218	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1656611"	261.021688	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"161286"	460.97304	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"601942"	653.00004	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1088640"	268.94604	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"147643"	230.990158	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"592677"	327.003658	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1079379"	134.976658	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1108213"	270.960592	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1341317"	271.048207	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1009844"	275.087376	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1532349"	276.081008	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"994422"	138.047326	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1601324"	276.995628	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1423334"	307.027138	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1149248"	158.560601	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1699894"	324.053685	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1638827"	329.00908	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1586509"	344.98302	"C00451"	"(1R2S)-1-Hydroxypropane-123-tricarboxylate;D-threo-Isocitric acid"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"807033"	334.0566	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M"	0
"974409"	315.03821	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-H2O-H"	-19.01839
"63704"	221.697124	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M-3H"	-3.021828
"505089"	333.049324	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M-3H"	-3.021828
"883253"	110.344924	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-3H"	-3.021828
"4746"	333.049324	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M-2H"	-2.014552
"445400"	500.077624	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M-2H"	-2.014552
"825393"	166.021024	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-2H"	-2.014552
"83201"	667.105924	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M-H"	-1.007276
"522759"	1001.162524	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M-H"	-1.007276
"896060"	333.049324	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-H"	-1.007276
"47197"	684.132471	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M-2H+NH4"	16.019271
"487246"	1018.189071	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M-2H+NH4"	16.019271
"864472"	350.075871	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-2H+NH4"	16.019271
"32179"	689.087866	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M-2H+Na"	20.974666
"478670"	1023.144466	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M-2H+Na"	20.974666
"849019"	355.031266	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-2H+Na"	20.974666
"1629290"	355.031266	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Na-2H"	20.974666
"99258"	351.037663	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M-H+Cl"	33.962126
"535536"	518.065963	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M-H+Cl"	33.962126
"933426"	184.009363	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-H+Cl"	33.962126
"271254"	703.082602	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+Cl"	34.969402
"665131"	1037.139202	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+Cl"	34.969402
"1281180"	369.026002	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Cl"	34.969402
"20822"	705.061806	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M-2H+K"	36.948606
"459286"	1039.118406	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M-2H+K"	36.948606
"838181"	371.005206	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-2H+K"	36.948606
"1558754"	371.005206	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+K-2H"	36.948606
"948095"	379.054794	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-H+HCOOH"	44.998194
"365580"	713.111401	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+HCOOH-H"	44.998201
"346548"	727.127051	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+Hac-H"	59.013851
"1492817"	393.070451	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Hac-H"	59.013851
"959278"	401.036751	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-H+NaCOOH"	66.980151
"117668"	369.026002	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+2Cl"	69.938804
"553946"	536.054302	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+2Cl"	69.938804
"1030402"	201.997702	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2Cl"	69.938804
"1247794"	412.975485	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Br"	78.918885
"1309513"	415.031472	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Cl+HCOOH"	80.974872
"1326647"	437.013429	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Cl+NaCOOH"	102.956829
"918797"	447.042186	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M-H+CF3COOH"	112.985586
"1290401"	483.018864	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Cl+CF3COOH"	148.962264
"1368925"	299.043924	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H-2H2O"	-35.012676
"1386424"	317.0539	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H-H2O"	-17.0027
"286843"	669.120476	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+H"	1.007276
"679994"	1003.177076	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+H"	1.007276
"1354153"	335.063876	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H"	1.007276
"130323"	335.063876	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+2H"	2.014552
"569888"	502.092176	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+2H"	2.014552
"1037953"	168.035576	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2H"	2.014552
"207679"	223.711676	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+3H"	3.021828
"647240"	335.063876	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+3H"	3.021828
"1165365"	112.359476	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+3H"	3.021828
"427544"	686.147023	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+NH4"	18.033823
"792922"	1020.203623	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+NH4"	18.033823
"1684876"	352.090423	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+NH4"	18.033823
"335342"	343.5771495	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+H+NH4"	19.041099
"726668"	510.6054495	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+H+NH4"	19.041099
"1477813"	176.5488495	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H+NH4"	19.041099
"393701"	691.102418	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+Na"	22.989218
"754692"	1025.159018	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+Na"	22.989218
"1604368"	357.045818	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Na"	22.989218
"315746"	346.054847	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+H+Na"	23.996494
"708040"	513.083147	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+H+Na"	23.996494
"1462355"	179.026547	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H+Na"	23.996494
"1053289"	119.68679	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2H+Na"	25.00377
"1259465"	367.090086	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+CH3OH+H"	33.033486
"378403"	707.076358	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+K"	38.963158
"743411"	1041.132958	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+K"	38.963158
"1544377"	373.019758	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+K"	38.963158
"301551"	354.041817	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+H+K"	39.970434
"692880"	521.070117	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+H+K"	39.970434
"1447796"	187.013517	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H+K"	39.970434
"237489"	710.147026	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+ACN+H"	42.033826
"1210639"	376.090426	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+ACN+H"	42.033826
"1197358"	188.548851	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+ACN+2H"	43.041102
"194602"	713.08436	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+2Na-H"	44.97116
"636364"	1047.14096	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+2Na-H"	44.97116
"1139871"	379.02776	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2Na-H"	44.97116
"182069"	357.045818	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+2Na"	45.978436
"619440"	524.074118	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+2Na"	45.978436
"1124043"	190.017518	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2Na"	45.978436
"1404286"	127.014104	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H+2Na"	46.985712
"1436402"	381.069346	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H+HCOOH"	47.012746
"230471"	362.07884	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+3H2O+2H"	56.04448
"1515253"	395.12139	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+IsoProp+H"	61.06479
"411659"	365.032788	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+Na+K"	61.952376
"774109"	532.061088	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+Na+K"	61.952376
"1671170"	198.004488	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Na+K"	61.952376
"254414"	732.128968	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+ACN+Na"	64.015768
"1229310"	398.072368	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+ACN+Na"	64.015768
"1717100"	398.095893	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+NH4+HCOOH"	64.039293
"1182454"	134.341418	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+3Na"	68.967654
"1658913"	403.051288	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Na+HCOOH"	68.994688
"171242"	745.03224	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+2K-H"	76.91904
"602054"	1079.08884	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+2K-H"	76.91904
"1088751"	410.97564	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2K-H"	76.91904
"151772"	373.019758	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"2M+2K"	77.926316
"587320"	540.048058	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"3M+2K"	77.926316
"1075114"	205.991458	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2K"	77.926316
"1102855"	412.990192	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2K+H"	78.933592
"1338148"	413.077807	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+DMSO+H"	79.021207
"1015427"	417.116976	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2ACN+H"	83.060376
"1534645"	418.110608	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+IsoProp+Na+H"	84.054008
"995628"	209.062126	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+2ACN+2H"	84.067652
"1597787"	419.025228	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+K+HCOOH"	84.968628
"1417978"	449.056738	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+H+CF3COOH"	115.000138
"1153734"	229.575401	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+3ACN+2H"	125.094202
"1703285"	466.083285	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+NH4+CF3COOH"	132.026685
"1648055"	471.03868	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+Na+CF3COOH"	136.98208
"1580059"	487.01262	"C00455"	"Nicotinamide D-ribonucleotide;NMN;Nicotinamide mononucleotide;Nicotinamide ribonucleotide;Nicotinamide nucleotide;beta-Nicotinamide D-ribonucleotide;beta-Nicotinamide ribonucleotide;beta-Nicotinamide mononucleotide"	"C11H15N2O8P"	"334.0566"	"M+K+CF3COOH"	152.95602
"807143"	466.9896	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M"	0
"979581"	447.97121	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-H2O-H"	-19.01839
"67823"	310.319124	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M-3H"	-3.021828
"506290"	465.982324	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M-3H"	-3.021828
"884091"	154.655924	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-3H"	-3.021828
"8134"	465.982324	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M-2H"	-2.014552
"445509"	699.477124	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M-2H"	-2.014552
"824410"	232.487524	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-2H"	-2.014552
"84404"	932.971924	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M-H"	-1.007276
"522869"	1399.961524	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M-H"	-1.007276
"900668"	465.982324	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-H"	-1.007276
"47747"	949.998471	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M-2H+NH4"	16.019271
"487918"	1416.988071	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M-2H+NH4"	16.019271
"865963"	483.008871	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-2H+NH4"	16.019271
"31841"	954.953866	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M-2H+Na"	20.974666
"475500"	1421.943466	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M-2H+Na"	20.974666
"850022"	487.964266	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-2H+Na"	20.974666
"1629400"	487.964266	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Na-2H"	20.974666
"100096"	483.970663	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M-H+Cl"	33.962126
"537468"	717.465463	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M-H+Cl"	33.962126
"933536"	250.475863	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-H+Cl"	33.962126
"272456"	968.948602	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+Cl"	34.969402
"665605"	1435.938202	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+Cl"	34.969402
"1283111"	501.959002	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Cl"	34.969402
"23483"	970.927806	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M-2H+K"	36.948606
"461218"	1437.917406	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M-2H+K"	36.948606
"842301"	503.938206	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-2H+K"	36.948606
"1563604"	503.938206	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+K-2H"	36.948606
"949298"	511.987794	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-H+HCOOH"	44.998194
"364596"	978.977401	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+HCOOH-H"	44.998201
"346333"	992.993051	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+Hac-H"	59.013851
"1495125"	526.003451	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Hac-H"	59.013851
"962669"	533.969751	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-H+NaCOOH"	66.980151
"114861"	501.959002	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+2Cl"	69.938804
"556607"	735.453802	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+2Cl"	69.938804
"1028325"	268.464202	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2Cl"	69.938804
"1248997"	545.908485	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Br"	78.918885
"1309259"	547.964472	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Cl+HCOOH"	80.974872
"1327849"	569.946429	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Cl+NaCOOH"	102.956829
"920000"	579.975186	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M-H+CF3COOH"	112.985586
"1293791"	615.951864	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Cl+CF3COOH"	148.962264
"1368672"	431.976924	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H-2H2O"	-35.012676
"1385075"	449.9869	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H-H2O"	-17.0027
"288046"	934.986476	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+H"	1.007276
"679008"	1401.976076	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+H"	1.007276
"1356451"	467.996876	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H"	1.007276
"130796"	467.996876	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+2H"	2.014552
"569269"	701.491676	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+2H"	2.014552
"1039157"	234.502076	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2H"	2.014552
"208883"	312.333676	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+3H"	3.021828
"648443"	467.996876	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+3H"	3.021828
"1165474"	156.670476	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+3H"	3.021828
"426560"	952.013023	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+NH4"	18.033823
"794123"	1419.002623	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+NH4"	18.033823
"1687172"	485.023423	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+NH4"	18.033823
"332169"	476.5101495	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+H+NH4"	19.041099
"726049"	710.0049495	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+H+NH4"	19.041099
"1478167"	243.0153495	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H+NH4"	19.041099
"393318"	956.968418	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+Na"	22.989218
"755407"	1423.958018	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+Na"	22.989218
"1603628"	489.978818	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Na"	22.989218
"315492"	478.987847	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+H+Na"	23.996494
"707786"	712.482647	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+H+Na"	23.996494
"1462829"	245.493047	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H+Na"	23.996494
"1053399"	163.99779	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2H+Na"	25.00377
"1257752"	500.023086	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+CH3OH+H"	33.033486
"382526"	972.942358	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+K"	38.963158
"740240"	1439.931958	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+K"	38.963158
"1544477"	505.952758	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+K"	38.963158
"301051"	486.974817	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+H+K"	39.970434
"692380"	720.469617	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+H+K"	39.970434
"1447904"	253.480017	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H+K"	39.970434
"236990"	976.013026	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+ACN+H"	42.033826
"1211032"	509.023426	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+ACN+H"	42.033826
"1195522"	255.015351	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+ACN+2H"	43.041102
"194710"	978.95036	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+2Na-H"	44.97116
"637567"	1445.93996	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+2Na-H"	44.97116
"1141074"	511.96076	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2Na-H"	44.97116
"182179"	489.978818	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+2Na"	45.978436
"618092"	723.473618	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+2Na"	45.978436
"1124153"	256.484018	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2Na"	45.978436
"1404396"	171.325104	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H+2Na"	46.985712
"1436512"	514.002346	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H+HCOOH"	47.012746
"230581"	495.01184	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+3H2O+2H"	56.04448
"1515363"	528.05439	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+IsoProp+H"	61.06479
"412862"	497.965788	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+Na+K"	61.952376
"774948"	731.460588	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+Na+K"	61.952376
"1671280"	264.470988	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Na+K"	61.952376
"256710"	997.994968	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+ACN+Na"	64.015768
"1230513"	531.005368	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+ACN+Na"	64.015768
"1716117"	531.028893	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+NH4+HCOOH"	64.039293
"1186938"	178.652418	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+3Na"	68.967654
"1650998"	535.984288	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Na+HCOOH"	68.994688
"164787"	1010.89824	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+2K-H"	76.91904
"601067"	1477.88784	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+2K-H"	76.91904
"1092141"	543.90864	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2K-H"	76.91904
"149696"	505.952758	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"2M+2K"	77.926316
"588525"	739.447558	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"3M+2K"	77.926316
"1076318"	272.457958	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2K"	77.926316
"1107339"	545.923192	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2K+H"	78.933592
"1338618"	546.010807	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+DMSO+H"	79.021207
"1010065"	550.049976	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2ACN+H"	83.060376
"1528195"	551.043608	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+IsoProp+Na+H"	84.054008
"994645"	275.528626	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+2ACN+2H"	84.067652
"1595710"	551.958228	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+K+HCOOH"	84.968628
"1415293"	581.989738	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+H+CF3COOH"	115.000138
"1153844"	296.041901	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+3ACN+2H"	125.094202
"1702302"	599.016285	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+NH4+CF3COOH"	132.026685
"1648165"	603.97168	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+Na+CF3COOH"	136.98208
"1580169"	619.94562	"C00458"	"dCTP;Deoxycytidine 5-triphosphate;Deoxycytidine triphosphate;2-Deoxycytidine 5-triphosphate"	"C9H16N3O13P3"	"466.9896"	"M+K+CF3COOH"	152.95602
"807253"	481.9893	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M"	0
"977505"	462.97091	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-H2O-H"	-19.01839
"66841"	320.318924	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M-3H"	-3.021828
"506035"	480.982024	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M-3H"	-3.021828
"884201"	159.655824	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-3H"	-3.021828
"6058"	480.982024	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M-2H"	-2.014552
"443797"	721.976674	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M-2H"	-2.014552
"828893"	239.987374	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-2H"	-2.014552
"88886"	962.971324	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M-H"	-1.007276
"526259"	1444.960624	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M-H"	-1.007276
"900778"	480.982024	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-H"	-1.007276
"47982"	979.997871	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M-2H+NH4"	16.019271
"488271"	1461.987171	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M-2H+NH4"	16.019271
"866195"	498.008571	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-2H+NH4"	16.019271
"31675"	984.953266	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M-2H+Na"	20.974666
"477797"	1466.942566	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M-2H+Na"	20.974666
"851224"	502.963966	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-2H+Na"	20.974666
"1629509"	502.963966	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Na-2H"	20.974666
"106038"	498.970363	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M-H+Cl"	33.962126
"539765"	739.965013	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M-H+Cl"	33.962126
"933646"	257.975713	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-H+Cl"	33.962126
"274390"	998.948002	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+Cl"	34.969402
"666809"	1480.937302	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+Cl"	34.969402
"1282495"	516.958702	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Cl"	34.969402
"25052"	1000.927206	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M-2H+K"	36.948606
"464611"	1482.916506	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M-2H+K"	36.948606
"840223"	518.937906	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-2H+K"	36.948606
"1562620"	518.937906	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+K-2H"	36.948606
"950502"	526.987494	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-H+HCOOH"	44.998194
"364706"	1008.976801	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+HCOOH-H"	44.998201
"346888"	1022.992451	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+Hac-H"	59.013851
"1497789"	541.003151	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Hac-H"	59.013851
"962050"	548.969451	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-H+NaCOOH"	66.980151
"115701"	516.958702	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+2Cl"	69.938804
"558539"	757.953352	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+2Cl"	69.938804
"1031715"	275.964052	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2Cl"	69.938804
"1251295"	560.908185	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Br"	78.918885
"1313743"	562.964172	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Cl+HCOOH"	80.974872
"1329054"	584.946129	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Cl+NaCOOH"	102.956829
"920111"	594.974886	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M-H+CF3COOH"	112.985586
"1295724"	630.951564	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Cl+CF3COOH"	148.962264
"1369512"	446.976624	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H-2H2O"	-35.012676
"1384821"	464.9866	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H-H2O"	-17.0027
"285603"	964.985876	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+H"	1.007276
"678024"	1446.975176	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+H"	1.007276
"1354373"	482.996576	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H"	1.007276
"128354"	482.996576	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+2H"	2.014552
"570108"	723.991226	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+2H"	2.014552
"1042186"	242.001926	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2H"	2.014552
"213367"	322.333476	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+3H"	3.021828
"647460"	482.996576	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+3H"	3.021828
"1164856"	161.670376	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+3H"	3.021828
"427765"	982.012423	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+NH4"	18.033823
"792047"	1464.001723	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+NH4"	18.033823
"1686189"	500.023123	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+NH4"	18.033823
"330372"	491.5098495	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+H+NH4"	19.041099
"724457"	732.5044995	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+H+NH4"	19.041099
"1477274"	250.5151995	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H+NH4"	19.041099
"394281"	986.967818	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+Na"	22.989218
"756004"	1468.957118	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+Na"	22.989218
"1603496"	504.978518	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Na"	22.989218
"315237"	493.987547	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+H+Na"	23.996494
"708869"	734.982197	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+H+Na"	23.996494
"1463667"	252.992897	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H+Na"	23.996494
"1054724"	168.99769	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2H+Na"	25.00377
"1260415"	515.022786	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+CH3OH+H"	33.033486
"380450"	1002.941758	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+K"	38.963158
"740713"	1484.931058	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+K"	38.963158
"1540946"	520.952458	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+K"	38.963158
"299580"	501.974517	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+H+K"	39.970434
"695287"	742.969167	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+H+K"	39.970434
"1446921"	260.979867	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H+K"	39.970434
"239896"	1006.012426	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+ACN+H"	42.033826
"1210092"	524.023126	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+ACN+H"	42.033826
"1195638"	262.515201	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+ACN+2H"	43.041102
"191908"	1008.94976	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+2Na-H"	44.97116
"640957"	1490.93906	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+2Na-H"	44.97116
"1142278"	526.96046	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2Na-H"	44.97116
"183382"	504.978518	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+2Na"	45.978436
"625129"	745.973168	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+2Na"	45.978436
"1124263"	263.983868	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2Na"	45.978436
"1405599"	176.325004	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H+2Na"	46.985712
"1436622"	529.002046	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H+HCOOH"	47.012746
"230691"	510.01154	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+3H2O+2H"	56.04448
"1515473"	543.05409	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+IsoProp+H"	61.06479
"414065"	512.965488	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+Na+K"	61.952376
"776153"	753.960138	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+Na+K"	61.952376
"1673577"	271.970838	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Na+K"	61.952376
"260100"	1027.994368	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+ACN+Na"	64.015768
"1233903"	546.005068	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+ACN+Na"	64.015768
"1718414"	546.028593	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+NH4+HCOOH"	64.039293
"1188142"	183.652318	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+3Na"	68.967654
"1651838"	550.983988	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Na+HCOOH"	68.994688
"162710"	1040.89764	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+2K-H"	76.91904
"598382"	1522.88694	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+2K-H"	76.91904
"1092251"	558.90834	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2K-H"	76.91904
"147983"	520.952458	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"2M+2K"	77.926316
"589728"	761.947108	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"3M+2K"	77.926316
"1075334"	279.957808	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2K"	77.926316
"1106355"	560.922892	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2K+H"	78.933592
"1340551"	561.010507	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+DMSO+H"	79.021207
"1010172"	565.049676	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2ACN+H"	83.060376
"1529398"	566.043308	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+IsoProp+Na+H"	84.054008
"996941"	283.028476	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+2ACN+2H"	84.067652
"1596913"	566.957928	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+K+HCOOH"	84.968628
"1417105"	596.989438	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+H+CF3COOH"	115.000138
"1153954"	303.541751	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+3ACN+2H"	125.094202
"1702412"	614.015985	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+NH4+CF3COOH"	132.026685
"1647910"	618.97138	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+Na+CF3COOH"	136.98208
"1580279"	634.94532	"C00459"	"dTTP;Deoxythymidine triphosphate;Deoxythymidine 5-triphosphate;TTP"	"C10H17N2O14P3"	"481.9893"	"M+K+CF3COOH"	152.95602
"807363"	467.9736	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M"	0
"984175"	448.95521	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-H2O-H"	-19.01839
"73512"	310.975124	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M-3H"	-3.021828
"508698"	466.966324	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M-3H"	-3.021828
"888686"	154.983924	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-3H"	-3.021828
"8354"	466.966324	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M-2H"	-2.014552
"443543"	700.953124	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M-2H"	-2.014552
"827910"	232.979524	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-2H"	-2.014552
"90820"	934.939924	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M-H"	-1.007276
"524182"	1402.913524	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M-H"	-1.007276
"899795"	466.966324	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-H"	-1.007276
"48703"	951.966471	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M-2H+NH4"	16.019271
"488627"	1419.940071	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M-2H+NH4"	16.019271
"865213"	483.992871	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-2H+NH4"	16.019271
"32992"	956.921866	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M-2H+Na"	20.974666
"481187"	1424.895466	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M-2H+Na"	20.974666
"853521"	488.948266	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-2H+Na"	20.974666
"1629619"	488.948266	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Na-2H"	20.974666
"106148"	484.954663	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M-H+Cl"	33.962126
"540240"	718.941463	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M-H+Cl"	33.962126
"937036"	250.967863	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-H+Cl"	33.962126
"274500"	970.916602	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+Cl"	34.969402
"666191"	1438.890202	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+Cl"	34.969402
"1281512"	502.943002	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Cl"	34.969402
"25162"	972.895806	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M-2H+K"	36.948606
"468001"	1440.869406	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M-2H+K"	36.948606
"843615"	504.922206	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-2H+K"	36.948606
"1567103"	504.922206	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+K-2H"	36.948606
"952799"	512.971794	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-H+HCOOH"	44.998194
"363358"	980.945401	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+HCOOH-H"	44.998201
"347246"	994.961051	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+Hac-H"	59.013851
"1496078"	526.987451	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Hac-H"	59.013851
"963620"	534.953751	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-H+NaCOOH"	66.980151
"119092"	502.943002	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+2Cl"	69.938804
"558650"	736.929802	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+2Cl"	69.938804
"1033284"	268.956202	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2Cl"	69.938804
"1253228"	546.892485	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Br"	78.918885
"1314947"	548.948472	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Cl+HCOOH"	80.974872
"1331350"	570.930429	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Cl+NaCOOH"	102.956829
"921314"	580.959186	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M-H+CF3COOH"	112.985586
"1298021"	616.935864	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Cl+CF3COOH"	148.962264
"1368165"	432.960924	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H-2H2O"	-35.012676
"1385297"	450.9709	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H-H2O"	-17.0027
"284620"	936.954476	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+H"	1.007276
"678498"	1404.928076	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+H"	1.007276
"1353390"	468.980876	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H"	1.007276
"126642"	468.980876	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+2H"	2.014552
"567296"	702.967676	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+2H"	2.014552
"1040109"	234.994076	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2H"	2.014552
"214205"	312.989676	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+3H"	3.021828
"653037"	468.980876	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+3H"	3.021828
"1167882"	156.998476	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+3H"	3.021828
"428967"	953.981023	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+NH4"	18.033823
"792149"	1421.954623	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+NH4"	18.033823
"1682161"	486.007423	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+NH4"	18.033823
"331291"	477.4941495	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+H+NH4"	19.041099
"725898"	711.4809495	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+H+NH4"	19.041099
"1477064"	243.5073495	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H+NH4"	19.041099
"393418"	958.936418	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+Na"	22.989218
"756479"	1426.910018	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+Na"	22.989218
"1603361"	490.962818	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Na"	22.989218
"314979"	479.971847	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+H+Na"	23.996494
"708737"	713.958647	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+H+Na"	23.996494
"1461829"	245.985047	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H+Na"	23.996494
"1053739"	164.32579	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2H+Na"	25.00377
"1261254"	501.007086	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+CH3OH+H"	33.033486
"381653"	974.910358	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+K"	38.963158
"742649"	1442.883958	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+K"	38.963158
"1543609"	506.936758	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+K"	38.963158
"299124"	487.958817	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+H+K"	39.970434
"693207"	721.945617	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+H+K"	39.970434
"1448122"	253.972017	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H+K"	39.970434
"238911"	977.981026	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+ACN+H"	42.033826
"1212717"	510.007426	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+ACN+H"	42.033826
"1194530"	255.507351	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+ACN+2H"	43.041102
"190805"	980.91836	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+2Na-H"	44.97116
"640705"	1448.89196	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+2Na-H"	44.97116
"1145549"	512.94476	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2Na-H"	44.97116
"188525"	490.962818	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+2Na"	45.978436
"628158"	724.949618	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+2Na"	45.978436
"1130448"	256.976018	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2Na"	45.978436
"1411176"	171.653104	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H+2Na"	46.985712
"1436732"	514.986346	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H+HCOOH"	47.012746
"225333"	495.99584	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+3H2O+2H"	56.04448
"1514489"	529.03839	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+IsoProp+H"	61.06479
"413082"	498.949788	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+Na+K"	61.952376
"777355"	732.936588	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+Na+K"	61.952376
"1672594"	264.962988	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Na+K"	61.952376
"262397"	999.962968	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+ACN+Na"	64.015768
"1236200"	531.989368	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+ACN+Na"	64.015768
"1725085"	532.012893	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+NH4+HCOOH"	64.039293
"1187158"	178.980418	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+3Na"	68.967654
"1653771"	536.968288	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Na+HCOOH"	68.994688
"166101"	1012.86624	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+2K-H"	76.91904
"601287"	1480.83984	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+2K-H"	76.91904
"1089081"	544.89264	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2K-H"	76.91904
"152463"	506.936758	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"2M+2K"	77.926316
"588745"	740.923558	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"3M+2K"	77.926316
"1074351"	272.949958	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2K"	77.926316
"1109744"	546.907192	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2K+H"	78.933592
"1342848"	546.994807	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+DMSO+H"	79.021207
"1011376"	551.033976	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2ACN+H"	83.060376
"1529506"	552.027608	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+IsoProp+Na+H"	84.054008
"1000332"	276.020626	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+2ACN+2H"	84.067652
"1595930"	552.942228	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+K+HCOOH"	84.968628
"1417215"	582.973738	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+H+CF3COOH"	115.000138
"1154064"	296.533901	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+3ACN+2H"	125.094202
"1702522"	600.000285	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+NH4+CF3COOH"	132.026685
"1649113"	604.95568	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+Na+CF3COOH"	136.98208
"1580389"	620.92962	"C00460"	"dUTP;2-Deoxyuridine 5-triphosphate"	"C9H15N2O14P3"	"467.9736"	"M+K+CF3COOH"	152.95602
"807475"	117.0578	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M"	0
"984289"	98.03941	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-H2O-H"	-19.01839
"67064"	77.0312573333333	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M-3H"	-3.021828
"504800"	116.050524	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M-3H"	-3.021828
"881146"	38.0119906666667	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-3H"	-3.021828
"12849"	116.050524	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M-2H"	-2.014552
"453503"	174.579424	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M-2H"	-2.014552
"828023"	57.521624	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-2H"	-2.014552
"85826"	233.108324	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M-H"	-1.007276
"521012"	350.166124	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M-H"	-1.007276
"901001"	116.050524	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-H"	-1.007276
"47595"	250.134871	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M-2H+NH4"	16.019271
"498222"	367.192671	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M-2H+NH4"	16.019271
"879675"	133.077071	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-2H+NH4"	16.019271
"46601"	255.090266	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M-2H+Na"	20.974666
"486649"	372.148066	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M-2H+Na"	20.974666
"855823"	138.032466	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-2H+Na"	20.974666
"1626449"	138.032466	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Na-2H"	20.974666
"100788"	134.038863	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M-H+Cl"	33.962126
"540347"	192.567763	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M-H+Cl"	33.962126
"929487"	75.509963	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-H+Cl"	33.962126
"268163"	269.085002	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+Cl"	34.969402
"661924"	386.142802	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+Cl"	34.969402
"1277607"	152.027202	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Cl"	34.969402
"24176"	271.064206	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M-2H+K"	36.948606
"463737"	388.122006	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M-2H+K"	36.948606
"840445"	154.006406	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-2H+K"	36.948606
"1557733"	154.006406	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+K-2H"	36.948606
"946354"	162.055994	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-H+HCOOH"	44.998194
"363836"	279.113801	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+HCOOH-H"	44.998201
"347355"	293.129451	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+Hac-H"	59.013851
"1498376"	176.071651	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Hac-H"	59.013851
"968838"	184.037951	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-H+NaCOOH"	66.980151
"120662"	152.027202	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+2Cl"	69.938804
"562044"	210.556102	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+2Cl"	69.938804
"1031935"	93.498302	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2Cl"	69.938804
"1251517"	195.976685	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Br"	78.918885
"1313966"	198.032672	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Cl+HCOOH"	80.974872
"1330369"	220.014629	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Cl+NaCOOH"	102.956829
"914864"	230.043386	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M-H+CF3COOH"	112.985586
"1288569"	266.020064	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Cl+CF3COOH"	148.962264
"1368274"	82.045124	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H-2H2O"	-35.012676
"1385403"	100.0551	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H-H2O"	-17.0027
"285093"	235.122876	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+H"	1.007276
"677152"	352.180676	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+H"	1.007276
"1353500"	118.065076	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H"	1.007276
"129674"	118.065076	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+2H"	2.014552
"567047"	176.593976	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+2H"	2.014552
"1041312"	59.536176	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2H"	2.014552
"207027"	79.0458093333333	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+3H"	3.021828
"646586"	118.065076	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+3H"	3.021828
"1165078"	40.0265426666667	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+3H"	3.021828
"427257"	252.149423	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+NH4"	18.033823
"785939"	369.207223	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+NH4"	18.033823
"1681499"	135.091623	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+NH4"	18.033823
"330673"	126.5783495	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+H+NH4"	19.041099
"723823"	185.1072495	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+H+NH4"	19.041099
"1477475"	68.0494495	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H+NH4"	19.041099
"393036"	257.104818	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+Na"	22.989218
"754435"	374.162618	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+Na"	22.989218
"1603229"	140.047018	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Na"	22.989218
"316547"	129.056047	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+H+Na"	23.996494
"707388"	187.584947	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+H+Na"	23.996494
"1463881"	70.527147	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H+Na"	23.996494
"1052814"	47.3538566666667	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2H+Na"	25.00377
"1258812"	150.091286	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+CH3OH+H"	33.033486
"378481"	273.078758	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+K"	38.963158
"738907"	390.136558	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+K"	38.963158
"1540022"	156.020958	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+K"	38.963158
"298607"	137.043017	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+H+K"	39.970434
"691416"	195.571917	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+H+K"	39.970434
"1448236"	78.514117	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H+K"	39.970434
"240118"	276.149426	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+ACN+H"	42.033826
"1211002"	159.091626	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+ACN+H"	42.033826
"1203274"	80.049451	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+ACN+2H"	43.041102
"197241"	279.08676	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+2Na-H"	44.97116
"637895"	396.14456	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+2Na-H"	44.97116
"1144320"	162.02896	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2Na-H"	44.97116
"182509"	140.047018	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+2Na"	45.978436
"624257"	198.575918	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+2Na"	45.978436
"1126671"	81.518118	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2Na"	45.978436
"1404727"	54.6811706666667	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H+2Na"	46.985712
"1434656"	164.070546	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H+HCOOH"	47.012746
"222891"	145.08004	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+3H2O+2H"	56.04448
"1509739"	178.12259	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+IsoProp+H"	61.06479
"413193"	148.033988	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+Na+K"	61.952376
"780752"	206.562888	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+Na+K"	61.952376
"1672707"	89.505088	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Na+K"	61.952376
"254851"	298.131368	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+ACN+Na"	64.015768
"1227195"	181.073568	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+ACN+Na"	64.015768
"1717541"	181.097093	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+NH4+HCOOH"	64.039293
"1181802"	62.0084846666667	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+3Na"	68.967654
"1659349"	186.052488	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Na+HCOOH"	68.994688
"167305"	311.03464	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+2K-H"	76.91904
"609060"	428.09244	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+2K-H"	76.91904
"1092474"	193.97684	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2K-H"	76.91904
"147103"	156.020958	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"2M+2K"	77.926316
"584477"	214.549858	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"3M+2K"	77.926316
"1077746"	97.492058	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2K"	77.926316
"1110955"	195.991392	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2K+H"	78.933592
"1342966"	196.079007	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+DMSO+H"	79.021207
"1014777"	200.118176	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2ACN+H"	83.060376
"1535094"	201.111808	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+IsoProp+Na+H"	84.054008
"1002631"	100.562726	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+2ACN+2H"	84.067652
"1596040"	202.026428	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+K+HCOOH"	84.968628
"1427169"	232.057938	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+H+CF3COOH"	115.000138
"1159645"	121.076001	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+3ACN+2H"	125.094202
"1708105"	249.084485	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+NH4+CF3COOH"	132.026685
"1637194"	254.03988	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+Na+CF3COOH"	136.98208
"1577221"	270.01382	"C00463"	"Indole;23-Benzopyrrole"	"C8H7N"	"117.0578"	"M+K+CF3COOH"	152.95602
"804306"	88.0524	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M"	0
"984399"	69.03401	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"69360"	57.694324	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"506733"	87.045124	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"894263"	28.343524	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"7491"	87.045124	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"452884"	131.071324	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"828861"	43.018924	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"83749"	175.097524	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"522215"	263.149924	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"902206"	87.045124	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"57680"	192.124071	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"501131"	280.176471	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"879056"	104.071671	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"44040"	197.079466	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"485059"	285.131866	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"855933"	109.027066	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1623643"	109.027066	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"100899"	105.033463	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"539363"	149.059663	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"929598"	61.007263	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"269611"	211.074202	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"665314"	299.126602	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1278812"	123.021802	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"26473"	213.053406	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"463848"	301.105806	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"837275"	125.001006	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1559674"	125.001006	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"943219"	133.050594	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"361761"	221.103001	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"354031"	235.118651	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1497398"	147.066251	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"961657"	155.032551	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"120771"	123.021802	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"561790"	167.048002	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1034599"	78.995602	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1254178"	166.971285	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1314074"	169.027272	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1323916"	191.009229	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"911731"	201.037986	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1288765"	237.014664	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1368018"	53.039724	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1383086"	71.0497	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"285932"	177.112076	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"682728"	265.164476	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1352518"	89.059676	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"126865"	89.059676	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"569342"	133.085876	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1043609"	45.033476	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"206284"	59.708876	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"648887"	89.059676	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1163486"	30.358076	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"425058"	194.138623	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"789095"	282.191023	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1681403"	106.086223	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"331149"	97.5729495	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"723322"	141.5991495	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1478120"	53.5467495	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"393759"	199.094018	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"754877"	287.146418	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1604068"	111.041618	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"315685"	100.050647	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"708591"	144.076847	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1464363"	56.024447	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1056152"	37.68539	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1257744"	121.085886	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"378465"	215.067958	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"738974"	303.120358	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1540016"	127.015558	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"302102"	108.037617	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"694525"	152.063817	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1449440"	64.011417	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"236947"	218.138626	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1217319"	130.086226	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1203386"	65.546751	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"196259"	221.07596	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"639830"	309.12836	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1142610"	133.02356	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"182619"	111.041618	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"624368"	155.067818	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1123501"	67.015418	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1402649"	45.012704	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1434766"	135.065146	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"223366"	116.07464	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1512522"	149.11719	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"420962"	119.028588	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"782323"	163.054788	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1675005"	75.002388	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"254962"	240.120568	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1235327"	152.068168	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1724945"	152.091693	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1190303"	52.340018	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1661655"	157.047088	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"165601"	253.02384	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"606614"	341.07624	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1092583"	164.97144	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"148309"	127.015558	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"584595"	171.041758	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1075670"	82.989358	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1111069"	166.985992	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1348186"	167.073607	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1015984"	171.112776	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1536295"	172.106408	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"1003834"	86.060026	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1597251"	173.021028	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1424000"	203.052538	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1157571"	106.573301	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1710404"	220.079085	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1648243"	225.03448	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1580612"	241.00842	"C00466"	"Acetoin;2-Acetoin;3-Hydroxybutan-2-one;3-Hydroxy-2-butanone;Dimethylketol"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"807696"	270.162	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M"	0
"984509"	251.14361	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-H2O-H"	-19.01839
"66189"	179.100724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M-3H"	-3.021828
"506114"	269.154724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M-3H"	-3.021828
"892307"	89.046724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-3H"	-3.021828
"7601"	269.154724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M-2H"	-2.014552
"450442"	404.235724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M-2H"	-2.014552
"826055"	134.073724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-2H"	-2.014552
"84952"	539.316724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M-H"	-1.007276
"521596"	809.478724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M-H"	-1.007276
"902316"	269.154724	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-H"	-1.007276
"57790"	556.343271	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M-2H+NH4"	16.019271
"501487"	826.505271	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M-2H+NH4"	16.019271
"878075"	286.181271	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-2H+NH4"	16.019271
"45491"	561.298666	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M-2H+Na"	20.974666
"484441"	831.460666	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M-2H+Na"	20.974666
"856043"	291.136666	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-2H+Na"	20.974666
"1623753"	291.136666	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Na-2H"	20.974666
"99915"	287.143063	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M-H+Cl"	33.962126
"538380"	422.224063	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M-H+Cl"	33.962126
"931895"	152.062063	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-H+Cl"	33.962126
"269722"	575.293402	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+Cl"	34.969402
"663238"	845.455402	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+Cl"	34.969402
"1279651"	305.131402	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Cl"	34.969402
"23301"	577.272606	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M-2H+K"	36.948606
"465051"	847.434606	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M-2H+K"	36.948606
"837018"	307.110606	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-2H+K"	36.948606
"1556862"	307.110606	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+K-2H"	36.948606
"943285"	315.160194	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-H+HCOOH"	44.998194
"362473"	585.322201	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+HCOOH-H"	44.998201
"350861"	599.337851	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+Hac-H"	59.013851
"1494349"	329.175851	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Hac-H"	59.013851
"959579"	337.142151	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-H+NaCOOH"	66.980151
"121609"	305.131402	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+2Cl"	69.938804
"561170"	440.212402	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+2Cl"	69.938804
"1032156"	170.050402	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2Cl"	69.938804
"1251736"	349.080885	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Br"	78.918885
"1316370"	351.136872	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Cl+HCOOH"	80.974872
"1324026"	373.118829	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Cl+NaCOOH"	102.956829
"918364"	383.147586	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M-H+CF3COOH"	112.985586
"1289967"	419.124264	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Cl+CF3COOH"	148.962264
"1368855"	235.149324	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H-2H2O"	-35.012676
"1386355"	253.1593	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H-H2O"	-17.0027
"287136"	541.331276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+H"	1.007276
"686118"	811.493276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+H"	1.007276
"1352991"	271.169276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H"	1.007276
"127704"	271.169276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+2H"	2.014552
"573826"	406.250276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+2H"	2.014552
"1040439"	136.088276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2H"	2.014552
"208340"	181.115276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+3H"	3.021828
"646446"	271.169276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+3H"	3.021828
"1164205"	91.061276	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+3H"	3.021828
"425289"	558.357823	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+NH4"	18.033823
"789569"	828.519823	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+NH4"	18.033823
"1681306"	288.195823	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+NH4"	18.033823
"330893"	279.6825495	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+H+NH4"	19.041099
"725135"	414.7635495	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+H+NH4"	19.041099
"1478961"	144.6015495	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H+NH4"	19.041099
"393425"	563.313218	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+Na"	22.989218
"755229"	833.475218	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+Na"	22.989218
"1604542"	293.151218	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Na"	22.989218
"317131"	282.160247	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+H+Na"	23.996494
"709187"	417.241247	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+H+Na"	23.996494
"1464109"	147.079247	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H+Na"	23.996494
"1059542"	98.38859	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2H+Na"	25.00377
"1257935"	303.195486	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+CH3OH+H"	33.033486
"377849"	579.287158	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+K"	38.963158
"740060"	849.449158	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+K"	38.963158
"1540211"	309.125158	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+K"	38.963158
"302212"	290.147217	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+H+K"	39.970434
"694998"	425.228217	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+H+K"	39.970434
"1446264"	155.066217	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H+K"	39.970434
"237047"	582.357826	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+ACN+H"	42.033826
"1218522"	312.195826	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+ACN+H"	42.033826
"1203496"	156.601551	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+ACN+2H"	43.041102
"196369"	585.29516	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+2Na-H"	44.97116
"639210"	855.45716	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+2Na-H"	44.97116
"1139440"	315.13316	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2Na-H"	44.97116
"177626"	293.151218	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+2Na"	45.978436
"621198"	428.232218	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+2Na"	45.978436
"1125797"	158.070218	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2Na"	45.978436
"1401300"	105.715904	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H+2Na"	46.985712
"1435968"	317.174746	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H+HCOOH"	47.012746
"225662"	298.18424	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+3H2O+2H"	56.04448
"1512632"	331.22679	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+IsoProp+H"	61.06479
"421072"	301.138188	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+Na+K"	61.952376
"781703"	436.219188	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+Na+K"	61.952376
"1676207"	166.057188	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Na+K"	61.952376
"256165"	604.339768	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+ACN+Na"	64.015768
"1233249"	334.177768	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+ACN+Na"	64.015768
"1725783"	334.201293	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+NH4+HCOOH"	64.039293
"1191140"	113.043218	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+3Na"	68.967654
"1662492"	339.156688	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Na+HCOOH"	68.994688
"165345"	617.24304	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+2K-H"	76.91904
"605994"	887.40504	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+2K-H"	76.91904
"1091965"	347.08104	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2K-H"	76.91904
"148418"	309.125158	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"2M+2K"	77.926316
"585798"	444.206158	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"3M+2K"	77.926316
"1077966"	174.044158	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2K"	77.926316
"1106803"	349.095592	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2K+H"	78.933592
"1347566"	349.183207	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+DMSO+H"	79.021207
"1020102"	353.222376	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2ACN+H"	83.060376
"1536405"	354.216008	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+IsoProp+Na+H"	84.054008
"1002851"	177.114826	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+2ACN+2H"	84.067652
"1597361"	355.130628	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+K+HCOOH"	84.968628
"1426296"	385.162138	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+H+CF3COOH"	115.000138
"1156588"	197.628101	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+3ACN+2H"	125.094202
"1710514"	402.188685	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+NH4+CF3COOH"	132.026685
"1648718"	407.14408	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+Na+CF3COOH"	136.98208
"1580722"	423.11802	"C00468"	"Estrone;3-Hydroxy-135(10)-estratrien-17-one"	"C18H22O2"	"270.162"	"M+K+CF3COOH"	152.95602
"807806"	46.0419	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M"	0
"984619"	27.02351	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-H2O-H"	-19.01839
"66299"	29.687324	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M-3H"	-3.021828
"505860"	45.034624	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M-3H"	-3.021828
"892417"	14.340024	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-3H"	-3.021828
"7711"	45.034624	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M-2H"	-2.014552
"450552"	68.055574	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M-2H"	-2.014552
"826165"	22.013674	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-2H"	-2.014552
"85063"	91.076524	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M-H"	-1.007276
"523529"	137.118424	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M-H"	-1.007276
"901333"	45.034624	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-H"	-1.007276
"54983"	108.103071	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M-2H+NH4"	16.019271
"494544"	154.144971	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M-2H+NH4"	16.019271
"876356"	62.061171	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-2H+NH4"	16.019271
"37695"	113.058466	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M-2H+Na"	20.974666
"483817"	159.100366	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M-2H+Na"	20.974666
"859431"	67.016566	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-2H+Na"	20.974666
"1626778"	67.016566	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Na-2H"	20.974666
"98932"	63.022963	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M-H+Cl"	33.962126
"538491"	86.043913	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M-H+Cl"	33.962126
"929817"	40.002013	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-H+Cl"	33.962126
"269468"	127.053202	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+Cl"	34.969402
"664077"	173.095102	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+Cl"	34.969402
"1280854"	81.011302	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Cl"	34.969402
"20131"	129.032406	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M-2H+K"	36.948606
"467347"	175.074306	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M-2H+K"	36.948606
"837129"	82.990506	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-2H+K"	36.948606
"1557336"	82.990506	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+K-2H"	36.948606
"944856"	91.040094	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-H+HCOOH"	44.998194
"362102"	137.082001	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+HCOOH-H"	44.998201
"350971"	151.097651	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+Hac-H"	59.013851
"1493363"	105.055751	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Hac-H"	59.013851
"958956"	113.022051	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-H+NaCOOH"	66.980151
"119532"	81.011302	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+2Cl"	69.938804
"559093"	104.032252	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+2Cl"	69.938804
"1030080"	57.990352	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2Cl"	69.938804
"1251846"	124.960785	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Br"	78.918885
"1315387"	127.016772	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Cl+HCOOH"	80.974872
"1328510"	148.998729	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Cl+NaCOOH"	102.956829
"918475"	159.027486	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M-H+CF3COOH"	112.985586
"1291172"	195.004164	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Cl+CF3COOH"	148.962264
"1367874"	11.029224	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H-2H2O"	-35.012676
"1385007"	29.0392	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H-H2O"	-17.0027
"287246"	93.091076	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+H"	1.007276
"686228"	139.132976	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+H"	1.007276
"1353101"	47.049176	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H"	1.007276
"126721"	47.049176	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+2H"	2.014552
"572843"	70.070126	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+2H"	2.014552
"1048204"	24.028226	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2H"	2.014552
"212823"	31.701876	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+3H"	3.021828
"645098"	47.049176	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+3H"	3.021828
"1163951"	16.354576	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+3H"	3.021828
"426129"	110.117623	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+NH4"	18.033823
"788586"	156.159523	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+NH4"	18.033823
"1681707"	64.075723	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+NH4"	18.033823
"330517"	55.5624495	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+H+NH4"	19.041099
"724152"	78.5833995	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+H+NH4"	19.041099
"1477489"	32.5414995	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H+NH4"	19.041099
"393857"	115.073018	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+Na"	22.989218
"756190"	161.114918	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+Na"	22.989218
"1603559"	69.031118	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Na"	22.989218
"316511"	58.040147	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+H+Na"	23.996494
"709663"	81.061097	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+H+Na"	23.996494
"1462028"	35.019197	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H+Na"	23.996494
"1054907"	23.68189	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2H+Na"	25.00377
"1259137"	79.075386	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+CH3OH+H"	33.033486
"380993"	131.046958	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+K"	38.963158
"739802"	177.088858	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+K"	38.963158
"1540522"	85.005058	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+K"	38.963158
"305602"	66.027117	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+H+K"	39.970434
"696931"	89.048067	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+H+K"	39.970434
"1447470"	43.006167	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H+K"	39.970434
"237159"	134.117626	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+ACN+H"	42.033826
"1216446"	88.075726	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+ACN+H"	42.033826
"1203606"	44.541501	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+ACN+2H"	43.041102
"197572"	137.05496	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+2Na-H"	44.97116
"637132"	183.09686	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+2Na-H"	44.97116
"1142829"	91.01306	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2Na-H"	44.97116
"181746"	69.031118	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+2Na"	45.978436
"624588"	92.052068	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+2Na"	45.978436
"1125907"	46.010168	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2Na"	45.978436
"1402140"	31.009204	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H+2Na"	46.985712
"1435348"	93.054646	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H+HCOOH"	47.012746
"224679"	74.06414	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+3H2O+2H"	56.04448
"1513836"	107.10669	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+IsoProp+H"	61.06479
"423370"	77.018088	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+Na+K"	61.952376
"784730"	100.039038	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+Na+K"	61.952376
"1678505"	53.997138	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Na+K"	61.952376
"257369"	156.099568	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+ACN+Na"	64.015768
"1234453"	110.057668	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+ACN+Na"	64.015768
"1725894"	110.081193	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+NH4+HCOOH"	64.039293
"1191613"	38.336518	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+3Na"	68.967654
"1661872"	115.036588	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Na+HCOOH"	68.994688
"164362"	169.00284	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+2K-H"	76.91904
"606104"	215.04474	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+2K-H"	76.91904
"1093897"	122.96094	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2K-H"	76.91904
"146343"	85.005058	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"2M+2K"	77.926316
"584813"	108.026008	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"3M+2K"	77.926316
"1078076"	61.984108	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2K"	77.926316
"1110193"	124.975492	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2K+H"	78.933592
"1348404"	125.063107	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+DMSO+H"	79.021207
"1018391"	129.102276	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2ACN+H"	83.060376
"1536514"	130.095908	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+IsoProp+Na+H"	84.054008
"999680"	65.054776	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+2ACN+2H"	84.067652
"1599658"	131.010528	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+K+HCOOH"	84.968628
"1425314"	161.042038	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+H+CF3COOH"	115.000138
"1157791"	85.568051	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+3ACN+2H"	125.094202
"1709896"	178.068585	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+NH4+CF3COOH"	132.026685
"1648828"	183.02398	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+Na+CF3COOH"	136.98208
"1577552"	198.99792	"C00469"	"Ethanol;Ethyl alcohol;Methylcarbinol"	"C2H6O"	"46.0419"	"M+K+CF3COOH"	152.95602
"807917"	108.0211	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M"	0
"981449"	89.00271	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H2O-H"	-19.01839
"74067"	71.0067906666667	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-3H"	-3.021828
"517645"	107.013824	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-3H"	-3.021828
"892527"	34.9997573333333	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-3H"	-3.021828
"12196"	107.013824	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H"	-2.014552
"449567"	161.024374	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H"	-2.014552
"824090"	53.003274	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H"	-2.014552
"84082"	215.034924	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-H"	-1.007276
"524738"	323.056024	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-H"	-1.007276
"905821"	107.013824	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H"	-1.007276
"58009"	232.061471	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H+NH4"	16.019271
"494654"	340.082571	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H+NH4"	16.019271
"876466"	124.040371	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H+NH4"	16.019271
"41085"	237.016866	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H+Na"	20.974666
"481741"	345.037966	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H+Na"	20.974666
"854439"	128.995766	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H+Na"	20.974666
"1624701"	128.995766	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na-2H"	20.974666
"101228"	125.002163	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-H+Cl"	33.962126
"537507"	179.012713	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-H+Cl"	33.962126
"928832"	70.991613	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+Cl"	33.962126
"267505"	251.011602	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Cl"	34.969402
"663091"	359.032702	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+Cl"	34.969402
"1277684"	142.990502	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl"	34.969402
"19147"	252.990806	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H+K"	36.948606
"459070"	361.011906	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H+K"	36.948606
"835414"	144.969706	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H+K"	36.948606
"1556722"	144.969706	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K-2H"	36.948606
"944113"	153.019294	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+HCOOH"	44.998194
"363916"	261.040401	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+HCOOH-H"	44.998201
"349988"	275.056051	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Hac-H"	59.013851
"1493589"	167.034951	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Hac-H"	59.013851
"959793"	175.001251	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+NaCOOH"	66.980151
"111987"	142.990502	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2Cl"	69.938804
"552643"	197.001052	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2Cl"	69.938804
"1034565"	88.979952	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2Cl"	69.938804
"1251956"	186.939985	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Br"	78.918885
"1310030"	188.995972	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl+HCOOH"	80.974872
"1324248"	210.977929	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl+NaCOOH"	102.956829
"917492"	221.006686	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+CF3COOH"	112.985586
"1293106"	256.983364	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl+CF3COOH"	148.962264
"1373454"	73.008424	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H-2H2O"	-35.012676
"1387670"	91.0184	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H-H2O"	-17.0027
"289543"	217.049476	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H"	1.007276
"678689"	325.070576	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H"	1.007276
"1353943"	109.028376	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H"	1.007276
"127925"	109.028376	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2H"	2.014552
"568215"	163.038926	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2H"	2.014552
"1047220"	55.017826	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2H"	2.014552
"212935"	73.0213426666667	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+3H"	3.021828
"651401"	109.028376	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+3H"	3.021828
"1170621"	37.0143093333333	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+3H"	3.021828
"426239"	234.076023	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+NH4"	18.033823
"788086"	342.097123	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+NH4"	18.033823
"1682225"	126.054923	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+NH4"	18.033823
"330300"	117.5416495	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H+NH4"	19.041099
"724754"	171.5521995	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H+NH4"	19.041099
"1478453"	63.5310995	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+NH4"	19.041099
"395675"	239.031418	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Na"	22.989218
"757035"	347.052518	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+Na"	22.989218
"1605135"	131.010318	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na"	22.989218
"316995"	120.019347	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H+Na"	23.996494
"709777"	174.029897	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H+Na"	23.996494
"1464326"	66.008797	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+Na"	23.996494
"1054291"	44.3416233333333	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2H+Na"	25.00377
"1261070"	141.054586	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+CH3OH+H"	33.033486
"382197"	255.005358	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+K"	38.963158
"739913"	363.026458	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+K"	38.963158
"1540881"	146.984258	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K"	38.963158
"300247"	128.006317	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H+K"	39.970434
"695948"	182.016867	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H+K"	39.970434
"1446246"	73.995767	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+K"	39.970434
"250655"	258.076026	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+ACN+H"	42.033826
"1219839"	150.054926	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+ACN+H"	42.033826
"1202628"	75.531101	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+ACN+2H"	43.041102
"196592"	261.01336	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2Na-H"	44.97116
"643328"	369.03446	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2Na-H"	44.97116
"1138566"	152.99226	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2Na-H"	44.97116
"188182"	131.010318	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2Na"	45.978436
"624699"	185.020868	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2Na"	45.978436
"1124924"	76.999768	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2Na"	45.978436
"1406262"	51.6689373333333	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+2Na"	46.985712
"1436190"	155.033846	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+HCOOH"	47.012746
"228073"	136.04334	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+3H2O+2H"	56.04448
"1511761"	169.08589	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+IsoProp+H"	61.06479
"418010"	138.997288	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Na+K"	61.952376
"782286"	193.007838	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+Na+K"	61.952376
"1677521"	84.986738	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na+K"	61.952376
"261859"	280.057968	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+ACN+Na"	64.015768
"1237848"	172.036868	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+ACN+Na"	64.015768
"1724181"	172.060393	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+NH4+HCOOH"	64.039293
"1190993"	58.9962513333333	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+3Na"	68.967654
"1659793"	177.015788	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na+HCOOH"	68.994688
"164466"	292.96124	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2K-H"	76.91904
"604026"	400.98234	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2K-H"	76.91904
"1089632"	184.94014	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2K-H"	76.91904
"144269"	146.984258	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2K"	77.926316
"592580"	200.994808	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2K"	77.926316
"1080376"	92.973708	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2K"	77.926316
"1112126"	186.954692	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2K+H"	78.933592
"1340126"	187.042307	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+DMSO+H"	79.021207
"1018502"	191.081476	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2ACN+H"	83.060376
"1537354"	192.075108	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+IsoProp+Na+H"	84.054008
"998701"	96.044376	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2ACN+2H"	84.067652
"1597580"	192.989728	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K+HCOOH"	84.968628
"1424335"	223.021238	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+CF3COOH"	115.000138
"1160091"	116.557651	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+3ACN+2H"	125.094202
"1708549"	240.047785	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+NH4+CF3COOH"	132.026685
"1643106"	245.00318	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na+CF3COOH"	136.98208
"1577663"	260.97712	"C00472"	"p-Benzoquinone;Quinone;Chinone;25-Cyclohexadiene-14-dione;14-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K+CF3COOH"	152.95602
"808027"	286.2297	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M"	0
"980465"	267.21131	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"68709"	189.812524	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"515565"	285.222424	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"894825"	94.402624	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"15469"	285.222424	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"450771"	428.337274	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"825294"	142.107574	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"87473"	571.452124	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"530315"	857.681824	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"902651"	285.222424	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"58119"	588.478671	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"496586"	874.708371	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"873295"	302.248971	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"41195"	593.434066	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"481850"	879.663766	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"856372"	307.204366	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1626998"	307.204366	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"98421"	303.210763	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"535429"	446.325613	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"930039"	160.095913	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"268347"	607.428802	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"662838"	893.658502	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1277794"	321.199102	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"16579"	609.408006	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"457720"	895.637706	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"833708"	323.178306	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1556222"	323.178306	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"944223"	331.227894	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"366212"	617.457601	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"349003"	631.473251	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1495649"	345.243551	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"960270"	353.209851	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"112097"	321.199102	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"551780"	464.313952	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1034675"	178.084252	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1253159"	365.148585	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1312326"	367.204572	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1328731"	389.186529	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"920882"	399.215286	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1294309"	435.191964	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1373564"	251.217024	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1389967"	269.227	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"289653"	573.466676	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"683173"	859.696376	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1359521"	287.236976	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H"	1.007276
"132410"	287.236976	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"576344"	430.351826	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1047331"	144.122126	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"213045"	191.827076	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"653698"	287.236976	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1174012"	96.417176	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"431819"	590.493223	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"791721"	876.722923	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1686957"	304.263523	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"333412"	295.7502495	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"725107"	438.8650995	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1481843"	152.6353995	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"396880"	595.448618	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"759332"	881.678318	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1608160"	309.218918	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"319291"	298.227947	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"710252"	441.342797	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1469901"	155.113097	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1058046"	103.74449	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1261910"	319.263186	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"382309"	611.422558	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"741484"	897.652258	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1540991"	325.192858	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+K"	38.963158
"303639"	306.214917	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"697152"	449.329767	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1448789"	163.100067	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"250889"	614.493226	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1221042"	328.263526	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1202738"	164.635401	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"195608"	617.43056	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"643680"	903.66026	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1140863"	331.20086	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"188540"	309.218918	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"624809"	452.333768	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1125034"	166.104068	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1407465"	111.071804	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1436300"	333.242446	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"228183"	314.25194	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1514058"	347.29449	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"419214"	317.205888	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"783490"	460.320738	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1677632"	174.091038	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"257594"	636.475168	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1232487"	350.245468	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1723560"	350.268993	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1191102"	118.399118	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1660996"	355.224388	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"162756"	649.37844	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"605229"	935.60814	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1086468"	363.14874	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"144379"	325.192858	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"592690"	468.307708	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1081579"	182.078008	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1109319"	365.163292	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1340236"	365.250907	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1019584"	369.290076	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1535641"	370.283708	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"1000997"	185.148676	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1596596"	371.198328	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1424445"	401.229838	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1160201"	205.661951	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1710847"	418.256385	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1643216"	423.21178	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1577773"	439.18572	"C00473"	"Retinol;all-trans-Retinol;Vitamin A;Vitamin A1"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"808137"	152.0685	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M"	0
"978389"	133.05011	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-H2O-H"	-19.01839
"67726"	100.371724	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M-3H"	-3.021828
"512759"	151.061224	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M-3H"	-3.021828
"891654"	49.682224	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-3H"	-3.021828
"8041"	151.061224	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M-2H"	-2.014552
"443227"	227.095474	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M-2H"	-2.014552
"823217"	75.026974	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-2H"	-2.014552
"85395"	303.129724	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M-H"	-1.007276
"528238"	455.198224	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M-H"	-1.007276
"902761"	151.061224	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-H"	-1.007276
"58229"	320.156271	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M-2H+NH4"	16.019271
"495603"	472.224771	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M-2H+NH4"	16.019271
"872312"	168.087771	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-2H+NH4"	16.019271
"41305"	325.111666	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M-2H+Na"	20.974666
"481960"	477.180166	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M-2H+Na"	20.974666
"851378"	173.043166	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-2H+Na"	20.974666
"1619574"	173.043166	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Na-2H"	20.974666
"94476"	169.049563	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M-H+Cl"	33.962126
"536634"	245.083813	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M-H+Cl"	33.962126
"928083"	93.015313	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-H+Cl"	33.962126
"269067"	339.106402	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+Cl"	34.969402
"663314"	491.174902	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+Cl"	34.969402
"1276445"	187.037902	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Cl"	34.969402
"17176"	341.085606	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M-2H+K"	36.948606
"456369"	493.154106	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M-2H+K"	36.948606
"833087"	189.017106	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-2H+K"	36.948606
"1555880"	189.017106	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+K-2H"	36.948606
"943363"	197.066694	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-H+HCOOH"	44.998194
"366323"	349.135201	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+HCOOH-H"	44.998201
"348020"	363.150851	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+Hac-H"	59.013851
"1495760"	211.082351	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Hac-H"	59.013851
"959652"	219.048651	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-H+NaCOOH"	66.980151
"111114"	187.037902	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+2Cl"	69.938804
"551769"	263.072152	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+2Cl"	69.938804
"1033691"	111.003652	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2Cl"	69.938804
"1253269"	230.987385	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Br"	78.918885
"1312436"	233.043372	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Cl+HCOOH"	80.974872
"1328841"	255.025329	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Cl+NaCOOH"	102.956829
"923178"	265.054086	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M-H+CF3COOH"	112.985586
"1296606"	301.030764	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Cl+CF3COOH"	148.962264
"1375861"	117.055824	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H-2H2O"	-35.012676
"1392263"	135.0658	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H-H2O"	-17.0027
"289763"	305.144276	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+H"	1.007276
"680003"	457.212776	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+H"	1.007276
"1358538"	153.075776	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H"	1.007276
"130333"	153.075776	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+2H"	2.014552
"570987"	229.110026	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+2H"	2.014552
"1047441"	77.041526	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2H"	2.014552
"209874"	102.386276	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+3H"	3.021828
"650527"	153.075776	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+3H"	3.021828
"1171936"	51.696776	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+3H"	3.021828
"428646"	322.170823	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+NH4"	18.033823
"788915"	474.239323	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+NH4"	18.033823
"1685243"	170.102323	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+NH4"	18.033823
"334615"	161.5890495	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+H+NH4"	19.041099
"727769"	237.6232995	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+H+NH4"	19.041099
"1479763"	85.5547995	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H+NH4"	19.041099
"396257"	327.126218	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+Na"	22.989218
"756158"	479.194718	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+Na"	22.989218
"1605716"	175.057718	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Na"	22.989218
"319397"	164.066747	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+H+Na"	23.996494
"708541"	240.100997	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+H+Na"	23.996494
"1464910"	88.032497	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H+Na"	23.996494
"1054512"	59.02409	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2H+Na"	25.00377
"1261654"	185.101986	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+CH3OH+H"	33.033486
"380595"	343.100158	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+K"	38.963158
"739409"	495.168658	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+K"	38.963158
"1541098"	191.031658	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+K"	38.963158
"303749"	172.053717	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+H+K"	39.970434
"695075"	248.087967	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+H+K"	39.970434
"1449993"	96.019467	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H+K"	39.970434
"251122"	346.170826	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+ACN+H"	42.033826
"1221152"	194.102326	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+ACN+H"	42.033826
"1201755"	97.554801	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+ACN+2H"	43.041102
"195719"	349.10816	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+2Na-H"	44.97116
"643669"	501.17666	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+2Na-H"	44.97116
"1140973"	197.03966	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2Na-H"	44.97116
"188118"	175.057718	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+2Na"	45.978436
"624919"	251.091968	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+2Na"	45.978436
"1122958"	99.023468	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2Na"	45.978436
"1405388"	66.351404	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H+2Na"	46.985712
"1436410"	199.081246	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H+HCOOH"	47.012746
"228293"	180.09074	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+3H2O+2H"	56.04448
"1515261"	213.13329	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+IsoProp+H"	61.06479
"419324"	183.044688	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+Na+K"	61.952376
"784693"	259.078938	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+Na+K"	61.952376
"1678835"	107.010438	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Na+K"	61.952376
"257703"	368.152768	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+ACN+Na"	64.015768
"1231503"	216.084268	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+ACN+Na"	64.015768
"1721483"	216.107793	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+NH4+HCOOH"	64.039293
"1189755"	73.678718	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+3Na"	68.967654
"1660013"	221.063188	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Na+HCOOH"	68.994688
"161409"	381.05604	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+2K-H"	76.91904
"603152"	533.12454	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+2K-H"	76.91904
"1088760"	228.98754	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2K-H"	76.91904
"143149"	191.031658	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"2M+2K"	77.926316
"584047"	267.065908	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"3M+2K"	77.926316
"1071843"	114.997408	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2K"	77.926316
"1102863"	231.002092	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2K+H"	78.933592
"1340345"	231.089707	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+DMSO+H"	79.021207
"1019573"	235.128876	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2ACN+H"	83.060376
"1537937"	236.122508	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+IsoProp+Na+H"	84.054008
"1004386"	118.068076	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+2ACN+2H"	84.067652
"1598891"	237.037128	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+K+HCOOH"	84.968628
"1426741"	267.068638	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+H+CF3COOH"	115.000138
"1161404"	138.581351	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+3ACN+2H"	125.094202
"1710958"	284.095185	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+NH4+CF3COOH"	132.026685
"1643326"	289.05058	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+Na+CF3COOH"	136.98208
"1577883"	305.02452	"C00474"	"Ribitol;Adonitol"	"C5H12O5"	"152.0685"	"M+K+CF3COOH"	152.95602
"808247"	243.0855	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M"	0
"979592"	224.06711	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-H2O-H"	-19.01839
"68929"	161.049724	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M-3H"	-3.021828
"513962"	242.078224	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M-3H"	-3.021828
"891764"	80.021224	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-3H"	-3.021828
"8151"	242.078224	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M-2H"	-2.014552
"444430"	363.620974	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M-2H"	-2.014552
"824420"	120.535474	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-2H"	-2.014552
"85505"	485.163724	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M-H"	-1.007276
"528348"	728.249224	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M-H"	-1.007276
"903235"	242.078224	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-H"	-1.007276
"55059"	502.190271	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M-2H+NH4"	16.019271
"495713"	745.275771	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M-2H+NH4"	16.019271
"873515"	259.104771	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-2H+NH4"	16.019271
"41415"	507.145666	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M-2H+Na"	20.974666
"478790"	750.231166	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M-2H+Na"	20.974666
"856591"	264.060166	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-2H+Na"	20.974666
"1621020"	264.060166	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Na-2H"	20.974666
"96817"	260.066563	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M-H+Cl"	33.962126
"537835"	381.609313	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M-H+Cl"	33.962126
"929892"	138.523813	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-H+Cl"	33.962126
"269541"	521.140402	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+Cl"	34.969402
"666337"	764.225902	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+Cl"	34.969402
"1277649"	278.054902	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Cl"	34.969402
"18380"	523.119606	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M-2H+K"	36.948606
"457575"	766.205106	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M-2H+K"	36.948606
"834408"	280.034106	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-2H+K"	36.948606
"1557046"	280.034106	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+K-2H"	36.948606
"943833"	288.083694	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-H+HCOOH"	44.998194
"365339"	531.169201	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+HCOOH-H"	44.998201
"348129"	545.184851	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+Hac-H"	59.013851
"1494773"	302.099351	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Hac-H"	59.013851
"959761"	310.065651	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-H+NaCOOH"	66.980151
"112680"	278.054902	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+2Cl"	69.938804
"552972"	399.597652	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+2Cl"	69.938804
"1030520"	156.512152	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2Cl"	69.938804
"1255201"	322.004385	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Br"	78.918885
"1310359"	324.060372	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Cl+HCOOH"	80.974872
"1326763"	346.042329	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Cl+NaCOOH"	102.956829
"920008"	356.071086	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M-H+CF3COOH"	112.985586
"1301090"	392.047764	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Cl+CF3COOH"	148.962264
"1380345"	208.072824	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H-2H2O"	-35.012676
"1394560"	226.0828	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H-H2O"	-17.0027
"293153"	487.178276	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+H"	1.007276
"682300"	730.263776	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+H"	1.007276
"1360835"	244.092776	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H"	1.007276
"129714"	244.092776	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+2H"	2.014552
"571097"	365.635526	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+2H"	2.014552
"1047551"	122.550026	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2H"	2.014552
"209983"	163.064276	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+3H"	3.021828
"650637"	244.092776	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+3H"	3.021828
"1169859"	82.035776	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+3H"	3.021828
"427665"	504.204823	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+NH4"	18.033823
"788295"	747.290323	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+NH4"	18.033823
"1685350"	261.119323	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+NH4"	18.033823
"333269"	252.6060495	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+H+NH4"	19.041099
"727513"	374.1487995	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+H+NH4"	19.041099
"1488259"	131.0632995	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H+NH4"	19.041099
"401469"	509.160218	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+Na"	22.989218
"762466"	752.245718	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+Na"	22.989218
"1611657"	266.074718	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Na"	22.989218
"324973"	255.083747	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+H+Na"	23.996494
"713022"	376.626497	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+H+Na"	23.996494
"1465750"	133.540997	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H+Na"	23.996494
"1057902"	89.36309	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2H+Na"	25.00377
"1262861"	276.118986	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+CH3OH+H"	33.033486
"382531"	525.134158	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+K"	38.963158
"740249"	768.219658	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+K"	38.963158
"1541209"	282.048658	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+K"	38.963158
"298759"	263.070717	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+H+K"	39.970434
"697370"	384.613467	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+H+K"	39.970434
"1452285"	141.527967	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H+K"	39.970434
"251235"	528.204826	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+ACN+H"	42.033826
"1220534"	285.119326	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+ACN+H"	42.033826
"1202958"	143.063301	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+ACN+2H"	43.041102
"197651"	531.14216	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+2Na-H"	44.97116
"637578"	774.22766	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+2Na-H"	44.97116
"1141812"	288.05666	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2Na-H"	44.97116
"184375"	266.074718	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+2Na"	45.978436
"625029"	387.617468	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+2Na"	45.978436
"1123068"	144.531968	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2Na"	45.978436
"1403676"	96.690404	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H+2Na"	46.985712
"1436520"	290.098246	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H+HCOOH"	47.012746
"228403"	271.10774	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+3H2O+2H"	56.04448
"1514278"	304.15029	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+IsoProp+H"	61.06479
"419799"	274.061688	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+Na+K"	61.952376
"781888"	395.604438	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+Na+K"	61.952376
"1678582"	152.518938	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Na+K"	61.952376
"258905"	550.186768	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+ACN+Na"	64.015768
"1229426"	307.101268	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+ACN+Na"	64.015768
"1720499"	307.124793	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+NH4+HCOOH"	64.039293
"1186947"	104.017718	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+3Na"	68.967654
"1660125"	312.080188	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Na+HCOOH"	68.994688
"162612"	563.09004	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+2K-H"	76.91904
"602170"	806.17554	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+2K-H"	76.91904
"1085591"	320.00454	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2K-H"	76.91904
"147877"	282.048658	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"2M+2K"	77.926316
"586343"	403.591408	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"3M+2K"	77.926316
"1074139"	160.505908	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2K"	77.926316
"1106253"	322.019092	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2K+H"	78.933592
"1340455"	322.106707	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+DMSO+H"	79.021207
"1020047"	326.145876	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2ACN+H"	83.060376
"1538779"	327.139508	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+IsoProp+Na+H"	84.054008
"1002308"	163.576576	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+2ACN+2H"	84.067652
"1600458"	328.054128	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+K+HCOOH"	84.968628
"1424658"	358.085638	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+H+CF3COOH"	115.000138
"1159327"	184.089851	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+3ACN+2H"	125.094202
"1712161"	375.112185	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+NH4+CF3COOH"	132.026685
"1640156"	380.06758	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+Na+CF3COOH"	136.98208
"1577993"	396.04152	"C00475"	"Cytidine"	"C9H13N3O5"	"243.0855"	"M+K+CF3COOH"	152.95602
"808357"	150.0528	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M"	0
"981889"	131.03441	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"67946"	99.027924	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"516870"	149.045524	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"889688"	49.010324	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"11541"	149.045524	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"445633"	224.071924	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"827812"	74.019124	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"82336"	299.098324	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"528458"	449.151124	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"906266"	149.045524	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"59547"	316.124871	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"493638"	466.177671	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"870345"	166.072071	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"39704"	321.080266	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"477807"	471.133066	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"858888"	171.027466	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1621495"	171.027466	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"96203"	167.033863	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"536125"	242.060263	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"931462"	92.007463	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"270017"	335.075002	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"665354"	485.127802	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1278852"	185.022202	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"21042"	337.054206	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"459144"	487.107006	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"835861"	187.001406	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1555699"	187.001406	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"943380"	195.050994	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"365449"	345.103801	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"349333"	359.119451	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1494884"	209.066651	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"960240"	217.032951	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"113520"	185.022202	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"554176"	260.048602	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1027350"	109.995802	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1253488"	228.971685	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1317397"	231.027672	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1332340"	253.009629	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"920119"	263.038386	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1302294"	299.015064	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1381549"	115.040124	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1394671"	133.0501	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"296545"	301.112876	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"681317"	451.165676	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1358759"	151.060076	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"130553"	151.060076	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"575581"	226.086476	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1049847"	76.033676	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"212281"	101.042476	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"651838"	151.060076	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1171062"	51.024876	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"429232"	318.139423	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"788769"	468.192223	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1684370"	168.086623	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"334834"	159.5733495	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"729809"	234.5997495	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1483995"	84.5469495	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"402673"	323.094818	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"765856"	473.147618	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1611767"	173.042018	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"321803"	162.051047	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"715317"	237.077447	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1466952"	87.024647	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1058011"	58.35219	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1265157"	183.086286	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"382641"	339.068758	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"744733"	489.121558	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1544600"	189.015958	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"299591"	170.038017	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"697480"	245.064417	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1454582"	95.011617	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"250858"	342.139426	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1220644"	192.086626	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1203068"	96.546951	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"193752"	345.07676	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"637688"	495.12956	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1142286"	195.02396	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"184485"	173.042018	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"621858"	248.068418	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1123178"	98.015618	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1404150"	65.679504	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1434078"	197.065546	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"228513"	178.07504	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1513294"	211.11759	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"419909"	181.028988	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"780540"	256.055388	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1677963"	106.002588	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259015"	364.121368	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1229536"	214.068568	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1720609"	214.092093	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1187057"	73.006818	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1659870"	219.047488	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"161629"	377.02464	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"600094"	527.07744	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1085701"	226.97184	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"145800"	189.015958	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"585360"	264.042358	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1070967"	113.989558	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1103081"	228.986392	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1336910"	229.074007	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1017484"	233.113176	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1535971"	234.106808	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"1004364"	117.060226	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1600203"	235.021428	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1422581"	265.052938	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1160530"	137.573501	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1711906"	282.079485	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1643546"	287.03488	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1578103"	303.00882	"C00476"	"D-Lyxose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"808467"	464.3138	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M"	0
"980905"	445.29541	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-H2O-H"	-19.01839
"65501"	308.535257333333	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M-3H"	-3.021828
"517463"	463.306524	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M-3H"	-3.021828
"890891"	153.763990666667	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-3H"	-3.021828
"9464"	463.306524	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M-2H"	-2.014552
"447929"	695.463424	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M-2H"	-2.014552
"829015"	231.149624	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-2H"	-2.014552
"81715"	927.620324	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M-H"	-1.007276
"529661"	1391.934124	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M-H"	-1.007276
"906376"	463.306524	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-H"	-1.007276
"56375"	944.646871	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M-2H+NH4"	16.019271
"493382"	1408.960671	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M-2H+NH4"	16.019271
"870819"	480.333071	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-2H+NH4"	16.019271
"41636"	949.602266	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M-2H+Na"	20.974666
"477917"	1413.916066	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M-2H+Na"	20.974666
"855718"	485.288466	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-2H+Na"	20.974666
"1624156"	485.288466	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Na-2H"	20.974666
"100687"	481.294863	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M-H+Cl"	33.962126
"537330"	713.451763	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M-H+Cl"	33.962126
"931573"	249.137963	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-H+Cl"	33.962126
"269764"	963.597002	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+Cl"	34.969402
"665831"	1427.910802	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+Cl"	34.969402
"1278234"	499.283202	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Cl"	34.969402
"20060"	965.576206	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M-2H+K"	36.948606
"458527"	1429.890006	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M-2H+K"	36.948606
"835971"	501.262406	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-2H+K"	36.948606
"1557273"	501.262406	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+K-2H"	36.948606
"944060"	509.311994	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-H+HCOOH"	44.998194
"365559"	973.625801	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+HCOOH-H"	44.998201
"348349"	987.641451	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+Hac-H"	59.013851
"1494021"	523.327651	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Hac-H"	59.013851
"959620"	531.293951	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-H+NaCOOH"	66.980151
"113630"	499.283202	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+2Cl"	69.938804
"557566"	731.440102	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+2Cl"	69.938804
"1035722"	267.126302	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2Cl"	69.938804
"1255421"	543.232685	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Br"	78.918885
"1317142"	545.288672	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Cl+HCOOH"	80.974872
"1333544"	567.270629	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Cl+NaCOOH"	102.956829
"925698"	577.299386	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M-H+CF3COOH"	112.985586
"1303255"	613.276064	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Cl+CF3COOH"	148.962264
"1381298"	429.301124	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H-2H2O"	-35.012676
"1396847"	447.3111	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H-H2O"	-17.0027
"295563"	929.634876	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+H"	1.007276
"682519"	1393.948676	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+H"	1.007276
"1363243"	465.321076	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H"	1.007276
"132852"	465.321076	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+2H"	2.014552
"576785"	697.477976	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+2H"	2.014552
"1048864"	233.164176	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2H"	2.014552
"216402"	310.549809333333	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+3H"	3.021828
"658149"	465.321076	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+3H"	3.021828
"1172267"	155.778542666667	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+3H"	3.021828
"433352"	946.661423	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+NH4"	18.033823
"788879"	1410.975223	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+NH4"	18.033823
"1684481"	482.347623	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+NH4"	18.033823
"334945"	473.8343495	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+H+NH4"	19.041099
"730283"	705.9912495	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+H+NH4"	19.041099
"1485199"	241.6774495	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H+NH4"	19.041099
"400597"	951.616818	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+Na"	22.989218
"768153"	1415.930618	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+Na"	22.989218
"1616982"	487.303018	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Na"	22.989218
"329205"	476.312047	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+H+Na"	23.996494
"719804"	708.468947	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+H+Na"	23.996494
"1472530"	244.155147	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H+Na"	23.996494
"1061404"	163.105856666667	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2H+Na"	25.00377
"1265268"	497.347286	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+CH3OH+H"	33.033486
"386031"	967.590758	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+K"	38.963158
"747026"	1431.904558	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+K"	38.963158
"1546893"	503.276958	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+K"	38.963158
"307348"	484.299017	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+H+K"	39.970434
"701957"	716.455917	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+H+K"	39.970434
"1454692"	252.142117	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H+K"	39.970434
"242205"	970.661426	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+ACN+H"	42.033826
"1222211"	506.347626	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+ACN+H"	42.033826
"1207550"	253.677451	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+ACN+2H"	43.041102
"200420"	973.59876	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+2Na-H"	44.97116
"638527"	1437.91256	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+2Na-H"	44.97116
"1139116"	509.28496	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2Na-H"	44.97116
"184231"	487.303018	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+2Na"	45.978436
"623061"	719.459918	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+2Na"	45.978436
"1127661"	255.146118	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2Na"	45.978436
"1405718"	170.433170666667	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H+2Na"	46.985712
"1433825"	511.326546	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H+HCOOH"	47.012746
"226437"	492.33604	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+3H2O+2H"	56.04448
"1514498"	525.37859	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+IsoProp+H"	61.06479
"419654"	495.289988	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+Na+K"	61.952376
"780650"	727.446888	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+Na+K"	61.952376
"1676979"	263.133088	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Na+K"	61.952376
"259125"	992.643368	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+ACN+Na"	64.015768
"1230739"	528.329568	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+ACN+Na"	64.015768
"1718531"	528.353093	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+NH4+HCOOH"	64.039293
"1187168"	177.760484666667	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+3Na"	68.967654
"1658887"	533.308488	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Na+HCOOH"	68.994688
"160644"	1005.54664	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+2K-H"	76.91904
"599592"	1469.86044	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+2K-H"	76.91904
"1087262"	541.23284	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2K-H"	76.91904
"145910"	503.276958	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"2M+2K"	77.926316
"585470"	735.433858	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"3M+2K"	77.926316
"1070103"	271.120058	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2K"	77.926316
"1102461"	543.247392	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2K+H"	78.933592
"1336776"	543.335007	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+DMSO+H"	79.021207
"1011392"	547.374176	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2ACN+H"	83.060376
"1531706"	548.367808	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+IsoProp+Na+H"	84.054008
"1003746"	274.190726	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+2ACN+2H"	84.067652
"1599220"	549.282428	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+K+HCOOH"	84.968628
"1420504"	579.313938	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+H+CF3COOH"	115.000138
"1159547"	294.704001	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+3ACN+2H"	125.094202
"1711287"	596.340485	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+NH4+CF3COOH"	132.026685
"1643656"	601.29588	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+Na+CF3COOH"	136.98208
"1578213"	617.26982	"C00477"	"Ecdysone"	"C27H44O6"	"464.3138"	"M+K+CF3COOH"	152.95602
"808577"	162.0528	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M"	0
"979922"	143.03441	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"63790"	107.027924	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"518223"	161.045524	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"892095"	53.010324	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"8481"	161.045524	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"444760"	242.071924	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"829125"	80.019124	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"81461"	323.098324	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"528678"	485.151124	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"907579"	161.045524	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"55392"	340.124871	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"491671"	502.177671	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"870565"	178.072071	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"41746"	345.080266	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"478027"	507.133066	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"853641"	183.027466	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1624266"	183.027466	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"95330"	179.033863	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"536709"	260.060263	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"931683"	98.007463	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"271332"	359.075002	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"665941"	521.127802	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1278344"	197.022202	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"19806"	361.054206	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"459366"	523.107006	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"836081"	199.001406	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1557382"	199.001406	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"944168"	207.050994	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363482"	369.103801	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"348459"	383.119451	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1493521"	221.066651	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"961553"	229.032951	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"114834"	197.022202	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"554396"	278.048602	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1036196"	115.995802	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1255895"	240.971685	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1317252"	243.027672	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1333653"	265.009629	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"922526"	275.038386	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1303692"	311.015064	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1382458"	127.040124	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1397078"	145.0501	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"296766"	325.112876	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"683722"	487.165676	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1362260"	163.060076	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"134056"	163.060076	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"576895"	244.086476	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1048975"	82.033676	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"216877"	109.042476	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"658260"	163.060076	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1171283"	55.024876	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"430911"	342.139423	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"788623"	504.192223	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1685318"	180.086623	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"336148"	171.5733495	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"726018"	252.5997495	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1483119"	90.5469495	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"398154"	347.094818	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"767899"	509.147618	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1615270"	185.042018	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"327858"	174.051047	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"718820"	255.077447	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1470453"	93.024647	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1060420"	62.35219	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1263193"	195.086286	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"383955"	363.068758	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"743857"	525.121558	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1544817"	201.015958	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"304178"	182.038017	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"699881"	263.064417	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1450427"	101.011617	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"238302"	366.139426	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1221592"	204.086626	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1207660"	102.546951	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"200530"	369.07676	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"636085"	531.12956	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1136310"	207.02396	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"184341"	185.042018	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"622078"	266.068418	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1124492"	104.015618	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1401818"	69.679504	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1433571"	209.065546	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"226547"	190.07504	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1513879"	223.11759	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"418671"	193.028988	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"780760"	274.055388	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1674903"	112.002588	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"257049"	388.121368	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1230849"	226.068568	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1717183"	226.092093	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1183999"	77.006818	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1653892"	231.047488	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"158567"	401.02464	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"598488"	563.07744	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1085793"	238.97184	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"146020"	201.015958	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"585580"	282.042358	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1069484"	119.989558	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1102207"	240.986392	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1336768"	241.074007	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1011502"	245.113176	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1531816"	246.106808	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"998265"	123.060226	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1598966"	247.021428	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1418428"	277.052938	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1151998"	143.573501	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1712127"	294.079485	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1643766"	299.03488	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1578323"	315.00882	"C00478"	"Lichenin;Lichenan"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"808687"	58.0419	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M"	0
"980032"	39.02351	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-H2O-H"	-19.01839
"64993"	37.687324	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M-3H"	-3.021828
"517971"	57.034624	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M-3H"	-3.021828
"895243"	18.340024	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-3H"	-3.021828
"8591"	57.034624	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M-2H"	-2.014552
"443776"	86.055574	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M-2H"	-2.014552
"829235"	28.013674	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-2H"	-2.014552
"82298"	115.076524	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M-H"	-1.007276
"525508"	173.118424	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M-H"	-1.007276
"905501"	57.034624	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-H"	-1.007276
"54408"	132.103071	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M-2H+NH4"	16.019271
"491781"	190.144971	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M-2H+NH4"	16.019271
"867028"	74.061171	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-2H+NH4"	16.019271
"38940"	137.058466	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M-2H+Na"	20.974666
"479230"	195.100366	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M-2H+Na"	20.974666
"851199"	79.016566	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-2H+Na"	20.974666
"1621460"	79.016566	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Na-2H"	20.974666
"95433"	75.022963	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M-H+Cl"	33.962126
"536816"	104.043913	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M-H+Cl"	33.962126
"929603"	46.002013	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-H+Cl"	33.962126
"269986"	151.053202	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+Cl"	34.969402
"663135"	209.095102	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+Cl"	34.969402
"1274444"	93.011302	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Cl"	34.969402
"18094"	153.032406	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M-2H+K"	36.948606
"459477"	211.074306	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M-2H+K"	36.948606
"836191"	94.990506	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-2H+K"	36.948606
"1557492"	94.990506	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+K-2H"	36.948606
"947560"	103.040094	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-H+HCOOH"	44.998194
"363592"	161.082001	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+HCOOH-H"	44.998201
"348569"	175.097651	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+Hac-H"	59.013851
"1496308"	117.055751	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Hac-H"	59.013851
"964945"	125.022051	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-H+NaCOOH"	66.980151
"117133"	93.011302	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+2Cl"	69.938804
"562162"	122.032252	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+2Cl"	69.938804
"1029869"	63.990352	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2Cl"	69.938804
"1256008"	136.960785	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Br"	78.918885
"1318092"	139.016772	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Cl+HCOOH"	80.974872
"1332671"	160.998729	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Cl+NaCOOH"	102.956829
"926771"	171.027486	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M-H+CF3COOH"	112.985586
"1302262"	207.004164	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Cl+CF3COOH"	148.962264
"1380794"	23.029224	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H-2H2O"	-35.012676
"1397319"	41.0392	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H-H2O"	-17.0027
"296514"	117.091076	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+H"	1.007276
"684925"	175.132976	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+H"	1.007276
"1360183"	59.049176	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H"	1.007276
"134165"	59.049176	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+2H"	2.014552
"579192"	88.070126	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+2H"	2.014552
"1050178"	30.028226	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2H"	2.014552
"218810"	39.701876	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+3H"	3.021828
"659099"	59.049176	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+3H"	3.021828
"1171393"	20.354576	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+3H"	3.021828
"433573"	134.117623	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+NH4"	18.033823
"788732"	192.159523	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+NH4"	18.033823
"1684700"	76.075723	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+NH4"	18.033823
"334071"	67.5624495	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+H+NH4"	19.041099
"727951"	96.5833995	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+H+NH4"	19.041099
"1487604"	38.5414995	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H+NH4"	19.041099
"401910"	139.073018	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+Na"	22.989218
"767282"	197.114918	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+Na"	22.989218
"1616476"	81.031118	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Na"	22.989218
"327847"	70.040147	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+H+Na"	23.996494
"717837"	99.061097	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+H+Na"	23.996494
"1471655"	41.019197	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H+Na"	23.996494
"1058343"	27.68189	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2H+Na"	25.00377
"1263303"	91.075386	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+CH3OH+H"	33.033486
"387345"	155.046958	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+K"	38.963158
"745060"	213.088858	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+K"	38.963158
"1548206"	97.005058	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+K"	38.963158
"307569"	78.027117	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+H+K"	39.970434
"701085"	107.048067	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+H+K"	39.970434
"1452719"	49.006167	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H+K"	39.970434
"243513"	158.117626	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+ACN+H"	42.033826
"1222432"	100.075726	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+ACN+H"	42.033826
"1207770"	50.541501	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+ACN+2H"	43.041102
"202221"	161.05496	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+2Na-H"	44.97116
"636925"	219.09686	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+2Na-H"	44.97116
"1143347"	103.01306	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2Na-H"	44.97116
"185546"	81.031118	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+2Na"	45.978436
"624379"	110.052068	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+2Na"	45.978436
"1122416"	52.010168	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2Na"	45.978436
"1404113"	35.009204	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H+2Na"	46.985712
"1438056"	105.054646	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H+HCOOH"	47.012746
"226657"	86.06414	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+3H2O+2H"	56.04448
"1514352"	119.10669	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+IsoProp+H"	61.06479
"418785"	89.018088	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+Na+K"	61.952376
"777590"	118.039038	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+Na+K"	61.952376
"1672825"	59.997138	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Na+K"	61.952376
"257160"	180.099568	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+ACN+Na"	64.015768
"1234241"	122.057668	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+ACN+Na"	64.015768
"1718753"	122.081193	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+NH4+HCOOH"	64.039293
"1184109"	42.336518	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+3Na"	68.967654
"1655096"	127.036588	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Na+HCOOH"	68.994688
"159404"	193.00284	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+2K-H"	76.91904
"597789"	251.04474	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+2K-H"	76.91904
"1086390"	134.96094	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2K-H"	76.91904
"141875"	97.005058	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"2M+2K"	77.926316
"585690"	126.026008	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"3M+2K"	77.926316
"1070202"	67.984108	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2K"	77.926316
"1101223"	136.975492	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2K+H"	78.933592
"1337605"	137.063107	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+DMSO+H"	79.021207
"1010516"	141.102276	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2ACN+H"	83.060376
"1533019"	142.095908	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+IsoProp+Na+H"	84.054008
"995094"	71.054776	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+2ACN+2H"	84.067652
"1596160"	143.010528	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+K+HCOOH"	84.968628
"1418539"	173.042038	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+H+CF3COOH"	115.000138
"1152108"	91.568051	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+3ACN+2H"	125.094202
"1711509"	190.068585	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+NH4+CF3COOH"	132.026685
"1647156"	195.02398	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+Na+CF3COOH"	136.98208
"1578433"	210.99792	"C00479"	"Propanal;Propionaldehyde"	"C3H6O"	"58.0419"	"M+K+CF3COOH"	152.95602
"808798"	68.0374	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M"	0
"976863"	49.01901	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-H2O-H"	-19.01839
"77146"	44.3509906666667	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M-3H"	-3.021828
"517919"	67.030124	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M-3H"	-3.021828
"887940"	21.6718573333333	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-3H"	-3.021828
"13075"	67.030124	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M-2H"	-2.014552
"448263"	101.048824	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M-2H"	-2.014552
"828253"	33.011424	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-2H"	-2.014552
"88247"	135.067524	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M-H"	-1.007276
"528906"	203.104924	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M-H"	-1.007276
"907800"	67.030124	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-H"	-1.007276
"55613"	152.094071	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M-2H+NH4"	16.019271
"491892"	220.131471	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M-2H+NH4"	16.019271
"867138"	84.056671	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-2H+NH4"	16.019271
"36865"	157.049466	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M-2H+Na"	20.974666
"473140"	225.086866	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M-2H+Na"	20.974666
"848793"	89.012066	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-2H+Na"	20.974666
"1619380"	89.012066	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Na-2H"	20.974666
"94817"	85.018463	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M-H+Cl"	33.962126
"536559"	119.037163	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M-H+Cl"	33.962126
"929710"	50.999763	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-H+Cl"	33.962126
"269728"	171.044202	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+Cl"	34.969402
"663609"	239.081602	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+Cl"	34.969402
"1275283"	103.006802	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Cl"	34.969402
"18934"	173.023406	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M-2H+K"	36.948606
"456070"	241.060806	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M-2H+K"	36.948606
"833065"	104.986006	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-2H+K"	36.948606
"1557604"	104.986006	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+K-2H"	36.948606
"946582"	113.035594	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-H+HCOOH"	44.998194
"364797"	181.073001	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+HCOOH-H"	44.998201
"345813"	195.088651	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+Hac-H"	59.013851
"1495688"	127.051251	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Hac-H"	59.013851
"963230"	135.017551	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-H+NaCOOH"	66.980151
"119429"	103.006802	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+2Cl"	69.938804
"554617"	137.025502	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+2Cl"	69.938804
"1033257"	68.988102	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2Cl"	69.938804
"1250650"	146.956285	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Br"	78.918885
"1310909"	149.012272	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Cl+HCOOH"	80.974872
"1332781"	170.994229	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Cl+NaCOOH"	102.956829
"926026"	181.022986	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M-H+CF3COOH"	112.985586
"1303464"	216.999664	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Cl+CF3COOH"	148.962264
"1382116"	33.024724	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H-2H2O"	-35.012676
"1396936"	51.0347	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H-H2O"	-17.0027
"298082"	137.082076	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+H"	1.007276
"680664"	205.119476	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+H"	1.007276
"1355917"	69.044676	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H"	1.007276
"133180"	69.044676	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+2H"	2.014552
"576021"	103.063376	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+2H"	2.014552
"1048101"	35.025976	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2H"	2.014552
"216003"	46.3655426666667	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+3H"	3.021828
"650824"	69.044676	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+3H"	3.021828
"1168223"	23.6864093333333	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+3H"	3.021828
"426026"	154.108623	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+NH4"	18.033823
"788476"	222.146023	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+NH4"	18.033823
"1682380"	86.071223	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+NH4"	18.033823
"334548"	77.5579495	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+H+NH4"	19.041099
"731706"	111.5766495	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+H+NH4"	19.041099
"1491362"	43.5392495	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H+NH4"	19.041099
"405302"	159.064018	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+Na"	22.989218
"768120"	227.101418	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+Na"	22.989218
"1615488"	91.026618	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Na"	22.989218
"328199"	80.035647	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+H+Na"	23.996494
"717946"	114.054347	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+H+Na"	23.996494
"1468488"	46.016947	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H+Na"	23.996494
"1059545"	31.0137233333333	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2H+Na"	25.00377
"1262320"	101.070886	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+CH3OH+H"	33.033486
"386361"	175.037958	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+K"	38.963158
"747356"	243.075358	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+K"	38.963158
"1546129"	107.000558	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+K"	38.963158
"308776"	88.022617	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+H+K"	39.970434
"697919"	122.041317	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+H+K"	39.970434
"1450647"	54.003917	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H+K"	39.970434
"249106"	178.108626	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+ACN+H"	42.033826
"1218534"	110.071226	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+ACN+H"	42.033826
"1206429"	55.539251	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+ACN+2H"	43.041102
"198571"	181.04596	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+2Na-H"	44.97116
"635941"	249.08336	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+2Na-H"	44.97116
"1141634"	113.00856	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2Na-H"	44.97116
"184560"	91.026618	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+2Na"	45.978436
"625214"	125.045318	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+2Na"	45.978436
"1125806"	57.007918	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2Na"	45.978436
"1402770"	38.3410373333333	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H+2Na"	46.985712
"1433061"	115.050146	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H+HCOOH"	47.012746
"225674"	96.05964	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+3H2O+2H"	56.04448
"1519938"	129.10219	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+IsoProp+H"	61.06479
"420353"	99.013588	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+Na+K"	61.952376
"777700"	133.032288	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+Na+K"	61.952376
"1671847"	64.994888	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Na+K"	61.952376
"256177"	200.090568	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+ACN+Na"	64.015768
"1229981"	132.053168	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+ACN+Na"	64.015768
"1717769"	132.076693	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+NH4+HCOOH"	64.039293
"1183127"	45.6683513333333	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+3Na"	68.967654
"1651925"	137.032088	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Na+HCOOH"	68.994688
"162427"	212.99384	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+2K-H"	76.91904
"598712"	281.03124	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+2K-H"	76.91904
"1088330"	144.95644	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2K-H"	76.91904
"141986"	107.000558	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"2M+2K"	77.926316
"582518"	141.019258	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"3M+2K"	77.926316
"1069092"	72.981858	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2K"	77.926316
"1101695"	146.970992	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2K+H"	78.933592
"1343194"	147.058607	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+DMSO+H"	79.021207
"1012814"	151.097776	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2ACN+H"	83.060376
"1534225"	152.091408	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+IsoProp+Na+H"	84.054008
"995204"	76.052526	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+2ACN+2H"	84.067652
"1594083"	153.006028	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+K+HCOOH"	84.968628
"1425211"	183.037538	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+H+CF3COOH"	115.000138
"1157694"	96.565801	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+3ACN+2H"	125.094202
"1707244"	200.064085	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+NH4+CF3COOH"	132.026685
"1641799"	205.01948	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+Na+CF3COOH"	136.98208
"1578544"	220.99342	"C00481"	"Pyrazole;12-Diazole"	"C3H4N2"	"68.0374"	"M+K+CF3COOH"	152.95602
"805628"	224.0685	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M"	0
"975880"	205.05011	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-H2O-H"	-19.01839
"78432"	148.371724	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M-3H"	-3.021828
"510248"	223.061224	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M-3H"	-3.021828
"884769"	73.682224	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-3H"	-3.021828
"8812"	223.061224	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M-2H"	-2.014552
"448373"	335.095474	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M-2H"	-2.014552
"829456"	111.026974	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-2H"	-2.014552
"89450"	447.129724	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M-H"	-1.007276
"527922"	671.198224	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M-H"	-1.007276
"906817"	223.061224	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-H"	-1.007276
"49889"	464.156271	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M-2H+NH4"	16.019271
"489812"	688.224771	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M-2H+NH4"	16.019271
"867612"	240.087771	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-2H+NH4"	16.019271
"37704"	469.111666	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M-2H+Na"	20.974666
"472886"	693.180166	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M-2H+Na"	20.974666
"849470"	245.043166	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-2H+Na"	20.974666
"1618842"	245.043166	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Na-2H"	20.974666
"94803"	241.049563	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M-H+Cl"	33.962126
"537035"	353.083813	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M-H+Cl"	33.962126
"929092"	129.015313	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-H+Cl"	33.962126
"269108"	483.106402	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+Cl"	34.969402
"664084"	707.174902	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+Cl"	34.969402
"1275393"	259.037902	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Cl"	34.969402
"17584"	485.085606	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M-2H+K"	36.948606
"457518"	709.154106	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M-2H+K"	36.948606
"834348"	261.017106	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-2H+K"	36.948606
"1557713"	261.017106	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+K-2H"	36.948606
"944505"	269.066694	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-H+HCOOH"	44.998194
"362720"	493.135201	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+HCOOH-H"	44.998201
"346477"	507.150851	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+Hac-H"	59.013851
"1493487"	283.082351	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Hac-H"	59.013851
"964069"	291.048651	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-H+NaCOOH"	66.980151
"116257"	259.037902	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+2Cl"	69.938804
"554726"	371.072152	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+2Cl"	69.938804
"1030085"	147.003652	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2Cl"	69.938804
"1247478"	302.987385	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Br"	78.918885
"1308829"	305.043372	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Cl+HCOOH"	80.974872
"1331797"	327.025329	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Cl+NaCOOH"	102.956829
"924677"	337.054086	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M-H+CF3COOH"	112.985586
"1299563"	373.030764	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Cl+CF3COOH"	148.962264
"1382102"	189.055824	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H-2H2O"	-35.012676
"1396317"	207.0658	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H-H2O"	-17.0027
"296732"	449.144276	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+H"	1.007276
"677858"	673.212776	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+H"	1.007276
"1359307"	225.075776	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H"	1.007276
"134384"	225.075776	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+2H"	2.014552
"575037"	337.110026	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+2H"	2.014552
"1049305"	113.041526	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2H"	2.014552
"215020"	150.386276	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+3H"	3.021828
"650935"	225.075776	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+3H"	3.021828
"1167240"	75.696776	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+3H"	3.021828
"426014"	466.170823	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+NH4"	18.033823
"786886"	690.239323	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+NH4"	18.033823
"1684921"	242.102323	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+NH4"	18.033823
"334295"	233.5890495	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+H+NH4"	19.041099
"729631"	345.6232995	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+H+NH4"	19.041099
"1491471"	121.5547995	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H+NH4"	19.041099
"406505"	471.126218	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+Na"	22.989218
"768594"	695.194718	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+Na"	22.989218
"1613411"	247.057718	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Na"	22.989218
"325634"	236.066747	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+H+Na"	23.996494
"716964"	348.100997	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+H+Na"	23.996494
"1468598"	124.032497	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H+Na"	23.996494
"1059655"	83.02409	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2H+Na"	25.00377
"1263523"	257.101986	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+CH3OH+H"	33.033486
"386471"	487.100158	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+K"	38.963158
"746374"	711.168658	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+K"	38.963158
"1546239"	263.031658	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+K"	38.963158
"309979"	244.053717	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+H+K"	39.970434
"698029"	356.087967	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+H+K"	39.970434
"1450757"	132.019467	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H+K"	39.970434
"247394"	490.170826	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+ACN+H"	42.033826
"1219737"	266.102326	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+ACN+H"	42.033826
"1206539"	133.554801	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+ACN+2H"	43.041102
"198681"	493.10816	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+2Na-H"	44.97116
"637144"	717.17666	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+2Na-H"	44.97116
"1141744"	269.03966	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2Na-H"	44.97116
"184670"	247.057718	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+2Na"	45.978436
"624595"	359.091968	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+2Na"	45.978436
"1125917"	135.023468	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2Na"	45.978436
"1403973"	90.351404	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H+2Na"	46.985712
"1432077"	271.081246	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H+HCOOH"	47.012746
"223597"	252.09074	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+3H2O+2H"	56.04448
"1521869"	285.13329	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+IsoProp+H"	61.06479
"420826"	255.044688	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+Na+K"	61.952376
"778903"	367.078938	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+Na+K"	61.952376
"1668674"	143.010438	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Na+K"	61.952376
"256286"	512.152768	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+ACN+Na"	64.015768
"1229358"	288.084268	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+ACN+Na"	64.015768
"1717150"	288.107793	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+NH4+HCOOH"	64.039293
"1182143"	97.678718	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+3Na"	68.967654
"1652036"	293.063188	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Na+HCOOH"	68.994688
"162536"	525.05604	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+2K-H"	76.91904
"597729"	749.12454	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+2K-H"	76.91904
"1089533"	300.98754	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2K-H"	76.91904
"142217"	263.031658	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"2M+2K"	77.926316
"581777"	375.065908	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"3M+2K"	77.926316
"1068674"	150.997408	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2K"	77.926316
"1101562"	303.002092	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2K+H"	78.933592
"1342210"	303.089707	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+DMSO+H"	79.021207
"1011831"	307.128876	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2ACN+H"	83.060376
"1532149"	308.122508	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+IsoProp+Na+H"	84.054008
"997500"	154.068076	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+2ACN+2H"	84.067652
"1594193"	309.037128	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+K+HCOOH"	84.968628
"1425321"	339.068638	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+H+CF3COOH"	115.000138
"1160723"	174.581351	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+3ACN+2H"	125.094202
"1707354"	356.095185	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+NH4+CF3COOH"	132.026685
"1641909"	361.05058	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+Na+CF3COOH"	136.98208
"1578654"	377.02452	"C00482"	"Sinapate;Sinapic acid;35-Dimethoxy-4-hydroxycinnamic acid"	"C11H12O5"	"224.0685"	"M+K+CF3COOH"	152.95602
"806831"	137.0841	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M"	0
"978176"	118.06571	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"77605"	90.382124	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"509264"	136.076824	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"883786"	44.687424	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"8922"	136.076824	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"446296"	204.618874	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"829566"	67.534774	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"90653"	273.160924	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"529125"	410.245024	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"908020"	136.076824	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"51821"	290.187471	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"491014"	427.271571	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"868090"	153.103371	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"41094"	295.142866	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"478467"	432.226966	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"854081"	158.058766	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1621789"	158.058766	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"97223"	154.065163	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"537146"	222.607213	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"929567"	85.523113	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"271042"	309.137602	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"666383"	446.221702	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1278784"	172.053502	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"19154"	311.116806	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"459815"	448.200906	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"834699"	174.032706	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1556726"	174.032706	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"944004"	182.082294	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"365011"	319.166401	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"346343"	333.182051	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1493352"	196.097951	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"959680"	204.064251	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"114178"	172.053502	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"555928"	240.595552	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1026912"	103.511452	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1247588"	216.002985	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1308938"	218.058972	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1327533"	240.040929	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"917497"	250.069686	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1296393"	286.046364	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1381847"	102.071424	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1395698"	120.0814	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"295019"	275.175476	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"676384"	412.259576	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1355407"	138.091376	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"129755"	138.091376	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"572960"	206.633426	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1046135"	69.549326	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"212943"	92.396676	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"648492"	138.091376	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1163215"	46.701976	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"424581"	292.202023	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"786182"	429.286123	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1681579"	155.117923	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"332214"	146.6046495	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"725730"	215.1466995	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1485749"	78.0625995	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"400056"	297.157418	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"763238"	434.241518	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1612430"	160.073318	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"322466"	149.082347	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"713793"	217.624397	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1467613"	80.540297	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1057580"	54.02929	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1264727"	170.117586	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"384394"	313.131358	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"746483"	450.215458	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1546350"	176.047258	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"301342"	157.069317	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"694854"	225.611367	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1447589"	88.527267	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"248232"	316.202026	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1222036"	179.117926	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1207013"	90.062601	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"196604"	319.13936	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"636164"	456.22346	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1144043"	182.05526	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"184054"	160.073318	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"619237"	228.615368	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1121651"	91.531268	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1404083"	61.356604	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1431824"	184.096846	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"225893"	165.10634	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1521982"	198.14889	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"421546"	168.060288	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"775734"	236.602338	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1668785"	99.518238	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"255308"	338.183968	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1232391"	201.099868	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1719086"	201.123393	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1184440"	68.683918	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1652146"	206.078788	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"160096"	351.08724	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"597838"	488.17134	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1087456"	214.00314	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"141839"	176.047258	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"582009"	244.589308	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1072722"	107.505208	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1101068"	216.017692	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1342320"	216.105307	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1014130"	220.144476	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1532259"	221.138108	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"997611"	110.575876	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1602446"	222.052728	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1425431"	252.084238	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1155718"	131.089151	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1712327"	269.110785	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1644206"	274.06618	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1578764"	290.04012	"C00483"	"Tyramine;2-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"809129"	584.2635	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M"	0
"985945"	565.24511	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-H2O-H"	-19.01839
"78161"	388.501724	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M-3H"	-3.021828
"511562"	583.256224	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M-3H"	-3.021828
"884989"	193.747224	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-3H"	-3.021828
"1862"	583.256224	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M-2H"	-2.014552
"443127"	875.387974	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M-2H"	-2.014552
"823117"	291.124474	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-2H"	-2.014552
"85295"	1167.519724	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M-H"	-1.007276
"525949"	1751.783224	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M-H"	-1.007276
"901561"	583.256224	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-H"	-1.007276
"48520"	1184.546271	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M-2H+NH4"	16.019271
"495500"	1768.809771	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M-2H+NH4"	16.019271
"872210"	600.282771	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-2H+NH4"	16.019271
"39016"	1189.501666	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M-2H+Na"	20.974666
"479670"	1773.765166	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M-2H+Na"	20.974666
"854191"	605.238166	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-2H+Na"	20.974666
"1627004"	605.238166	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Na-2H"	20.974666
"101344"	601.244563	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M-H+Cl"	33.962126
"545278"	893.376313	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M-H+Cl"	33.962126
"932596"	309.112813	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-H+Cl"	33.962126
"274071"	1203.496402	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+Cl"	34.969402
"665398"	1787.759902	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+Cl"	34.969402
"1278896"	619.232902	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Cl"	34.969402
"17325"	1205.475606	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M-2H+K"	36.948606
"457131"	1789.739106	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M-2H+K"	36.948606
"836631"	621.212106	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-2H+K"	36.948606
"1557931"	621.212106	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+K-2H"	36.948606
"945453"	629.261694	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-H+HCOOH"	44.998194
"365122"	1213.525201	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+HCOOH-H"	44.998201
"347911"	1227.540851	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+Hac-H"	59.013851
"1495652"	643.277351	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Hac-H"	59.013851
"960279"	651.243651	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-H+NaCOOH"	66.980151
"113194"	619.232902	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+2Cl"	69.938804
"556036"	911.364652	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+2Cl"	69.938804
"1027023"	327.101152	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2Cl"	69.938804
"1244414"	663.182385	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Br"	78.918885
"1310142"	665.238372	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Cl+HCOOH"	80.974872
"1328735"	687.220329	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Cl+NaCOOH"	102.956829
"919795"	697.249086	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M-H+CF3COOH"	112.985586
"1294314"	733.225764	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Cl+CF3COOH"	148.962264
"1373572"	549.250824	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H-2H2O"	-35.012676
"1388885"	567.2608	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H-H2O"	-17.0027
"285292"	1169.534276	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+H"	1.007276
"682086"	1753.797776	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+H"	1.007276
"1358435"	585.270776	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H"	1.007276
"134605"	585.270776	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+2H"	2.014552
"573072"	877.402526	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+2H"	2.014552
"1050617"	293.139026	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2H"	2.014552
"207948"	390.516276	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+3H"	3.021828
"646781"	585.270776	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+3H"	3.021828
"1166731"	195.761776	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+3H"	3.021828
"425262"	1186.560823	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+NH4"	18.033823
"787350"	1770.824323	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+NH4"	18.033823
"1684411"	602.297323	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+NH4"	18.033823
"333420"	593.7840495	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+H+NH4"	19.041099
"728758"	885.9157995	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+H+NH4"	19.041099
"1486954"	301.6522995	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H+NH4"	19.041099
"399069"	1191.516218	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+Na"	22.989218
"764443"	1775.779718	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+Na"	22.989218
"1613632"	607.252718	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Na"	22.989218
"323669"	596.261747	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+H+Na"	23.996494
"713904"	888.393497	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+H+Na"	23.996494
"1469910"	304.129997	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H+Na"	23.996494
"1058783"	203.08909	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2H+Na"	25.00377
"1263742"	617.296986	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+CH3OH+H"	33.033486
"387785"	1207.490158	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+K"	38.963158
"747686"	1791.753658	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+K"	38.963158
"1545369"	623.226658	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+K"	38.963158
"303637"	604.248717	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+H+K"	39.970434
"692784"	896.380467	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+H+K"	39.970434
"1453177"	312.116967	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H+K"	39.970434
"246150"	1210.560826	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+ACN+H"	42.033826
"1224334"	626.297326	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+ACN+H"	42.033826
"1208217"	313.652301	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+ACN+2H"	43.041102
"196714"	1213.49816	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+2Na-H"	44.97116
"638460"	1797.76166	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+2Na-H"	44.97116
"1140869"	629.23466	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2Na-H"	44.97116
"184162"	607.252718	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+2Na"	45.978436
"619347"	899.384468	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+2Na"	45.978436
"1121763"	315.120968	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2Na"	45.978436
"1404192"	210.416404	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H+2Na"	46.985712
"1435216"	631.276246	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H+HCOOH"	47.012746
"230386"	612.28574	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+3H2O+2H"	56.04448
"1517353"	645.32829	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+IsoProp+H"	61.06479
"415944"	615.239688	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+Na+K"	61.952376
"770865"	907.371438	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+Na+K"	61.952376
"1669990"	323.107938	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Na+K"	61.952376
"258695"	1232.542768	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+ACN+Na"	64.015768
"1231402"	648.279268	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+ACN+Na"	64.015768
"1719198"	648.302793	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+NH4+HCOOH"	64.039293
"1184552"	217.743718	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+3Na"	68.967654
"1652257"	653.258188	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Na+HCOOH"	68.994688
"158264"	1245.44604	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+2K-H"	76.91904
"599772"	1829.70954	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+2K-H"	76.91904
"1089756"	661.18254	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2K-H"	76.91904
"142438"	623.226658	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"2M+2K"	77.926316
"585402"	915.358408	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"3M+2K"	77.926316
"1075023"	331.094908	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2K"	77.926316
"1110420"	663.197092	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2K+H"	78.933592
"1347900"	663.284707	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+DMSO+H"	79.021207
"1013151"	667.323876	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2ACN+H"	83.060376
"1531274"	668.317508	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+IsoProp+Na+H"	84.054008
"997722"	334.165576	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+2ACN+2H"	84.067652
"1597695"	669.232128	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+K+HCOOH"	84.968628
"1422260"	699.263638	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+H+CF3COOH"	115.000138
"1155829"	354.678851	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+3ACN+2H"	125.094202
"1703195"	716.290185	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+NH4+CF3COOH"	132.026685
"1644315"	721.24558	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+Na+CF3COOH"	136.98208
"1578875"	737.21952	"C00486"	"Bilirubin"	"C33H36N4O6"	"584.2635"	"M+K+CF3COOH"	152.95602
"801439"	162.113	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M"	0
"977307"	143.09461	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-H2O-H"	-19.01839
"68832"	107.068057333333	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M-3H"	-3.021828
"507298"	161.105724	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M-3H"	-3.021828
"881940"	53.0303906666667	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-3H"	-3.021828
"265"	161.105724	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M-2H"	-2.014552
"444330"	242.162224	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M-2H"	-2.014552
"821404"	80.049224	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-2H"	-2.014552
"83582"	323.218724	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M-H"	-1.007276
"523872"	485.331724	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M-H"	-1.007276
"898024"	161.105724	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-H"	-1.007276
"48384"	340.245271	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M-2H+NH4"	16.019271
"496703"	502.358271	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M-2H+NH4"	16.019271
"872320"	178.132271	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-2H+NH4"	16.019271
"39126"	345.200666	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M-2H+Na"	20.974666
"479780"	507.313666	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M-2H+Na"	20.974666
"857582"	183.087666	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-2H+Na"	20.974666
"1628208"	183.087666	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Na-2H"	20.974666
"101456"	179.094063	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M-H+Cl"	33.962126
"538827"	260.150563	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M-H+Cl"	33.962126
"933436"	98.037563	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-H+Cl"	33.962126
"273088"	359.195402	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+Cl"	34.969402
"666602"	521.308402	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+Cl"	34.969402
"1277913"	197.082402	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Cl"	34.969402
"16949"	361.174606	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M-2H+K"	36.948606
"456390"	523.287606	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M-2H+K"	36.948606
"833824"	199.061606	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-2H+K"	36.948606
"1557311"	199.061606	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+K-2H"	36.948606
"944470"	207.111194	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-H+HCOOH"	44.998194
"363046"	369.224201	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+HCOOH-H"	44.998201
"345817"	383.239851	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+Hac-H"	59.013851
"1497950"	221.126851	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Hac-H"	59.013851
"964399"	229.093151	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-H+NaCOOH"	66.980151
"115492"	197.082402	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+2Cl"	69.938804
"555054"	278.138902	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+2Cl"	69.938804
"1022760"	116.025902	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2Cl"	69.938804
"1241643"	241.031885	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Br"	78.918885
"1308065"	243.087872	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Cl+HCOOH"	80.974872
"1324472"	265.069829	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Cl+NaCOOH"	102.956829
"916624"	275.098586	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M-H+CF3COOH"	112.985586
"1291145"	311.075264	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Cl+CF3COOH"	148.962264
"1373680"	127.100324	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H-2H2O"	-35.012676
"1386807"	145.1103	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H-H2O"	-17.0027
"284066"	325.233276	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+H"	1.007276
"679281"	487.346276	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+H"	1.007276
"1355264"	163.120276	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H"	1.007276
"135808"	163.120276	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+2H"	2.014552
"571359"	244.176776	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+2H"	2.014552
"1049634"	82.063776	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2H"	2.014552
"210975"	109.082609333333	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+3H"	3.021828
"645798"	163.120276	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+3H"	3.021828
"1164289"	55.0449426666667	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+3H"	3.021828
"424440"	342.259823	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+NH4"	18.033823
"787461"	504.372823	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+NH4"	18.033823
"1683064"	180.146823	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+NH4"	18.033823
"335352"	171.6335495	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+H+NH4"	19.041099
"728867"	252.6900495	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+H+NH4"	19.041099
"1484874"	90.5770495	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H+NH4"	19.041099
"394806"	347.215218	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+Na"	22.989218
"765647"	509.328218	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+Na"	22.989218
"1615203"	185.102218	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Na"	22.989218
"322684"	174.111247	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+H+Na"	23.996494
"716200"	255.167747	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+H+Na"	23.996494
"1471114"	93.054747	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H+Na"	23.996494
"1061080"	62.3722566666667	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2H+Na"	25.00377
"1264945"	195.146486	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+CH3OH+H"	33.033486
"390811"	363.189158	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+K"	38.963158
"748890"	525.302158	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+K"	38.963158
"1548758"	201.076158	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+K"	38.963158
"305934"	182.098217	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+H+K"	39.970434
"691880"	263.154717	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+H+K"	39.970434
"1455473"	101.041717	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H+K"	39.970434
"244074"	366.259826	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+ACN+H"	42.033826
"1223350"	204.146826	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+ACN+H"	42.033826
"1207234"	102.577051	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+ACN+2H"	43.041102
"197917"	369.19716	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+2Na-H"	44.97116
"637477"	531.31016	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+2Na-H"	44.97116
"1136606"	207.08416	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2Na-H"	44.97116
"184272"	185.102218	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+2Na"	45.978436
"619457"	266.158718	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+2Na"	45.978436
"1121871"	104.045718	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2Na"	45.978436
"1403209"	69.6995706666667	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H+2Na"	46.985712
"1437512"	209.125746	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H+HCOOH"	47.012746
"228304"	190.13524	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+3H2O+2H"	56.04448
"1517464"	223.17779	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+IsoProp+H"	61.06479
"414961"	193.089188	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+Na+K"	61.952376
"770488"	274.145688	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+Na+K"	61.952376
"1670100"	112.032688	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Na+K"	61.952376
"256617"	388.241768	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+ACN+Na"	64.015768
"1227501"	226.128768	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+ACN+Na"	64.015768
"1718212"	226.152293	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+NH4+HCOOH"	64.039293
"1179437"	77.0268846666667	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+3Na"	68.967654
"1651026"	231.107688	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Na+HCOOH"	68.994688
"158858"	401.14504	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+2K-H"	76.91904
"597812"	563.25804	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+2K-H"	76.91904
"1090959"	239.03204	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2K-H"	76.91904
"142306"	201.076158	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"2M+2K"	77.926316
"586241"	282.132658	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"3M+2K"	77.926316
"1076226"	120.019658	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2K"	77.926316
"1109437"	241.046592	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2K+H"	78.933592
"1345823"	241.134207	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+DMSO+H"	79.021207
"1011074"	245.173376	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2ACN+H"	83.060376
"1532477"	246.167008	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+IsoProp+Na+H"	84.054008
"998924"	123.090326	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+2ACN+2H"	84.067652
"1596711"	247.081628	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+K+HCOOH"	84.968628
"1422370"	277.113138	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+H+CF3COOH"	115.000138
"1155939"	143.603601	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+3ACN+2H"	125.094202
"1703305"	294.139685	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+NH4+CF3COOH"	132.026685
"1641145"	299.09508	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+Na+CF3COOH"	136.98208
"1578985"	315.06902	"C00487"	"Carnitine;gamma-Trimethyl-hydroxybutyrobetaine;3-Hydroxy-4-trimethylammoniobutanoate"	"C7H16NO3"	"162.113"	"M+K+CF3COOH"	152.95602
"801707"	45.0215	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M"	0
"976324"	26.00311	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-H2O-H"	-19.01839
"68942"	29.0070573333333	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M-3H"	-3.021828
"506315"	44.014224	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M-3H"	-3.021828
"884116"	13.9998906666667	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-3H"	-3.021828
"28"	44.014224	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M-2H"	-2.014552
"443347"	66.524974	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M-2H"	-2.014552
"820056"	21.503474	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-2H"	-2.014552
"79677"	89.035724	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M-H"	-1.007276
"520700"	134.057224	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M-H"	-1.007276
"898134"	44.014224	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-H"	-1.007276
"48251"	106.062271	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M-2H+NH4"	16.019271
"491345"	151.083771	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M-2H+NH4"	16.019271
"872429"	61.040771	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-2H+NH4"	16.019271
"39236"	111.017666	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M-2H+Na"	20.974666
"479890"	156.039166	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M-2H+Na"	20.974666
"857692"	65.996166	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-2H+Na"	20.974666
"1628318"	65.996166	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Na-2H"	20.974666
"101566"	62.002563	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M-H+Cl"	33.962126
"535658"	84.513313	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M-H+Cl"	33.962126
"931359"	39.491813	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-H+Cl"	33.962126
"271011"	125.012402	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+Cl"	34.969402
"663432"	170.033902	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+Cl"	34.969402
"1274743"	79.990902	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Cl"	34.969402
"15965"	126.991606	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M-2H+K"	36.948606
"456135"	172.013106	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M-2H+K"	36.948606
"834057"	81.970106	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-2H+K"	36.948606
"1557057"	81.970106	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+K-2H"	36.948606
"943240"	90.019694	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-H+HCOOH"	44.998194
"363155"	135.041201	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+HCOOH-H"	44.998201
"349224"	149.056851	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+Hac-H"	59.013851
"1493686"	104.035351	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Hac-H"	59.013851
"959525"	112.001651	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-H+NaCOOH"	66.980151
"112322"	79.990902	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+2Cl"	69.938804
"550788"	102.501652	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+2Cl"	69.938804
"1027242"	57.480152	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2Cl"	69.938804
"1243900"	123.940385	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Br"	78.918885
"1306352"	125.996372	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Cl+HCOOH"	80.974872
"1322395"	147.978329	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Cl+NaCOOH"	102.956829
"915638"	158.007086	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M-H+CF3COOH"	112.985586
"1290161"	193.983764	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Cl+CF3COOH"	148.962264
"1367958"	10.008824	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H-2H2O"	-35.012676
"1386918"	28.0188	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H-H2O"	-17.0027
"288429"	91.050276	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+H"	1.007276
"679391"	136.071776	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+H"	1.007276
"1355374"	46.028776	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H"	1.007276
"135918"	46.028776	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+2H"	2.014552
"576572"	68.539526	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+2H"	2.014552
"1049744"	23.518026	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2H"	2.014552
"213272"	31.0216093333333	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+3H"	3.021828
"649554"	46.028776	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+3H"	3.021828
"1163305"	16.0144426666667	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+3H"	3.021828
"424468"	108.076823	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+NH4"	18.033823
"788665"	153.098323	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+NH4"	18.033823
"1683175"	63.055323	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+NH4"	18.033823
"332184"	54.5420495	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+H+NH4"	19.041099
"728976"	77.0527995	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+H+NH4"	19.041099
"1484984"	32.0312995	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H+NH4"	19.041099
"398197"	113.032218	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+Na"	22.989218
"765028"	158.053718	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+Na"	22.989218
"1614582"	68.010718	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Na"	22.989218
"322793"	57.019747	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+H+Na"	23.996494
"715216"	79.530497	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+H+Na"	23.996494
"1471222"	34.508997	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H+Na"	23.996494
"1059000"	23.3417566666667	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2H+Na"	25.00377
"1262866"	78.054986	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+CH3OH+H"	33.033486
"385818"	129.006158	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+K"	38.963158
"746812"	174.027658	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+K"	38.963158
"1547775"	83.984658	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+K"	38.963158
"307138"	65.006717	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+H+K"	39.970434
"694462"	87.517467	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+H+K"	39.970434
"1454490"	42.495967	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H+K"	39.970434
"239807"	132.076826	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+ACN+H"	42.033826
"1221269"	87.055326	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+ACN+H"	42.033826
"1206250"	44.031301	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+ACN+2H"	43.041102
"198026"	135.01416	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+2Na-H"	44.97116
"635398"	180.03566	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+2Na-H"	44.97116
"1137808"	89.99266	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2Na-H"	44.97116
"178913"	68.010718	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+2Na"	45.978436
"617380"	90.521468	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+2Na"	45.978436
"1123074"	45.499968	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2Na"	45.978436
"1405142"	30.6690706666667	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H+2Na"	46.985712
"1430331"	92.034246	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H+HCOOH"	47.012746
"230601"	73.04374	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+3H2O+2H"	56.04448
"1517573"	106.08629	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+IsoProp+H"	61.06479
"413978"	75.997688	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+Na+K"	61.952376
"771329"	98.508438	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+Na+K"	61.952376
"1668024"	53.486938	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Na+K"	61.952376
"255634"	154.058768	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+ACN+Na"	64.015768
"1229068"	109.037268	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+ACN+Na"	64.015768
"1718322"	109.060793	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+NH4+HCOOH"	64.039293
"1179667"	37.9963846666667	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+3Na"	68.967654
"1650652"	114.016188	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Na+HCOOH"	68.994688
"158969"	166.96204	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+2K-H"	76.91904
"598773"	211.98354	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+2K-H"	76.91904
"1089976"	121.94054	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2K-H"	76.91904
"142416"	83.984658	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"2M+2K"	77.926316
"586351"	106.495408	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"3M+2K"	77.926316
"1077429"	61.473908	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2K"	77.926316
"1109547"	123.955092	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2K+H"	78.933592
"1344840"	124.042707	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+DMSO+H"	79.021207
"1012278"	128.081876	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2ACN+H"	83.060376
"1532587"	129.075508	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+IsoProp+Na+H"	84.054008
"997941"	64.544576	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+2ACN+2H"	84.067652
"1596821"	129.990128	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+K+HCOOH"	84.968628
"1425760"	160.021638	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+H+CF3COOH"	115.000138
"1156049"	85.057851	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+3ACN+2H"	125.094202
"1703415"	177.048185	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+NH4+CF3COOH"	132.026685
"1637975"	182.00358	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+Na+CF3COOH"	136.98208
"1579095"	197.97752	"C00488"	"Formamide;Methanamide"	"CH3NO"	"45.0215"	"M+K+CF3COOH"	152.95602
"803262"	132.0423	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M"	0
"976434"	113.02391	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"70145"	87.020924	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"508612"	131.035024	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"882039"	43.006824	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"119"	131.035024	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"442364"	197.056174	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"819436"	65.013874	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"79059"	263.077324	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"520079"	395.119624	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"895852"	131.035024	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"47874"	280.103871	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"491455"	412.146171	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"871445"	148.061571	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"34969"	285.059266	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"474167"	417.101566	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"851241"	153.016966	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1625148"	153.016966	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"97301"	149.023363	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"535768"	215.044513	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"930376"	83.002213	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"271121"	299.054002	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"664635"	431.096302	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1274852"	167.011702	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"16519"	301.033206	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"456241"	433.075506	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"833924"	168.990906	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1556681"	168.990906	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"946143"	177.040494	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"363264"	309.082801	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"346173"	323.098451	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1495979"	191.056151	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"958661"	199.022451	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"110146"	167.011702	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"550654"	233.032852	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1022369"	100.990552	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1242918"	210.961185	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1307555"	213.017172	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1322504"	234.999129	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"916841"	245.027886	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1293913"	281.004564	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1369161"	97.029624	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1383093"	115.0396	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"282886"	265.091876	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"676827"	397.134176	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1352203"	133.049576	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"128008"	133.049576	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"569028"	199.070726	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1047667"	67.028426	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"211195"	89.035476	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"648570"	133.049576	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1163535"	45.021376	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"424613"	282.118423	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"786587"	414.160723	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1682064"	150.076123	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"331929"	141.5628495	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"725804"	207.5839995	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1479627"	75.5416995	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"394296"	287.073818	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"757115"	419.116118	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1609587"	155.031518	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"317436"	144.040547	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"712044"	210.061697	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1468052"	78.019397	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1055829"	52.34869	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1260790"	165.075786	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"384834"	303.047758	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"746923"	435.090058	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1543510"	171.005458	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"302874"	152.027517	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"695665"	218.048667	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1453504"	86.006367	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"239917"	306.118426	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1219190"	174.076126	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1201985"	87.541701	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"199230"	309.05576	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"635507"	441.09806	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1140105"	177.01346	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"176835"	155.031518	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"616394"	221.052668	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1123184"	89.010368	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1404523"	59.676004	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1430117"	179.055046	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"229618"	160.06454	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1521326"	193.10709	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"415182"	163.018488	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"771801"	229.039638	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1668134"	96.997338	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"256837"	328.100368	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1230271"	196.058068	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1715153"	196.081593	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1181961"	67.003318	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1653673"	201.036988	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"158107"	341.00364	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"597300"	473.04594	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1090450"	208.96134	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"142279"	171.005458	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"586461"	237.026608	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1076445"	104.984308	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1109656"	210.975892	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1344950"	211.063507	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1015668"	215.102676	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1531604"	216.096308	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"999144"	108.054976	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1599118"	217.010928	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1425870"	247.042438	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1152879"	128.568251	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1703525"	264.068985	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1641365"	269.02438	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1579205"	284.99832	"C00489"	"Glutarate;Glutaric acid;Pentanedioic acid;13-Propanedicarboxylic acid"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"806288"	130.0266	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M"	0
"976544"	111.00821	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-H2O-H"	-19.01839
"70255"	85.677124	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M-3H"	-3.021828
"512002"	129.019324	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M-3H"	-3.021828
"881177"	42.334924	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-3H"	-3.021828
"721"	129.019324	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M-2H"	-2.014552
"442474"	194.032624	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M-2H"	-2.014552
"817600"	64.006024	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-2H"	-2.014552
"81355"	259.045924	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M-H"	-1.007276
"520188"	389.072524	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M-H"	-1.007276
"897624"	129.019324	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-H"	-1.007276
"49444"	276.072471	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M-2H+NH4"	16.019271
"491929"	406.099071	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M-2H+NH4"	16.019271
"873741"	146.045871	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-2H+NH4"	16.019271
"35809"	281.027866	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M-2H+Na"	20.974666
"476099"	411.054466	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M-2H+Na"	20.974666
"855724"	151.001266	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-2H+Na"	20.974666
"1626351"	151.001266	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Na-2H"	20.974666
"97775"	147.007663	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M-H+Cl"	33.962126
"539158"	212.020963	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M-H+Cl"	33.962126
"930486"	81.994363	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-H+Cl"	33.962126
"273418"	295.022602	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+Cl"	34.969402
"664745"	425.049202	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+Cl"	34.969402
"1276057"	164.996002	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Cl"	34.969402
"17643"	297.001806	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M-2H+K"	36.948606
"456105"	427.028406	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M-2H+K"	36.948606
"834157"	166.975206	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-2H+K"	36.948606
"1556426"	166.975206	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+K-2H"	36.948606
"943456"	175.024794	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-H+HCOOH"	44.998194
"361793"	305.051401	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+HCOOH-H"	44.998201
"346529"	319.067051	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+Hac-H"	59.013851
"1493296"	189.040451	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Hac-H"	59.013851
"959015"	197.006751	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-H+NaCOOH"	66.980151
"111445"	164.996002	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+2Cl"	69.938804
"551128"	230.009302	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+2Cl"	69.938804
"1024181"	99.982702	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2Cl"	69.938804
"1243030"	208.945485	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Br"	78.918885
"1307300"	211.001472	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Cl+HCOOH"	80.974872
"1325893"	232.983429	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Cl+NaCOOH"	102.956829
"919137"	243.012186	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M-H+CF3COOH"	112.985586
"1294752"	278.988864	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Cl+CF3COOH"	148.962264
"1371821"	95.013924	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H-2H2O"	-35.012676
"1383126"	113.0239	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H-H2O"	-17.0027
"284151"	261.060476	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+H"	1.007276
"676936"	391.087076	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+H"	1.007276
"1352070"	131.033876	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H"	1.007276
"128118"	131.033876	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+2H"	2.014552
"570959"	196.047176	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+2H"	2.014552
"1045590"	66.020576	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2H"	2.014552
"212398"	87.691676	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+3H"	3.021828
"649773"	131.033876	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+3H"	3.021828
"1164617"	44.349476	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+3H"	3.021828
"424969"	278.087023	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+NH4"	18.033823
"787788"	408.113623	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+NH4"	18.033823
"1681811"	148.060423	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+NH4"	18.033823
"332036"	139.5471495	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+H+NH4"	19.041099
"725914"	204.5604495	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+H+NH4"	19.041099
"1479372"	74.5338495	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H+NH4"	19.041099
"394405"	283.042418	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+Na"	22.989218
"758316"	413.069018	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+Na"	22.989218
"1607508"	153.015818	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Na"	22.989218
"321919"	142.024847	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+H+Na"	23.996494
"715434"	207.038147	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+H+Na"	23.996494
"1469254"	77.011547	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H+Na"	23.996494
"1055210"	51.67679	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2H+Na"	25.00377
"1260901"	163.060086	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+CH3OH+H"	33.033486
"382757"	299.016358	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+K"	38.963158
"747033"	429.042958	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+K"	38.963158
"1545808"	168.989758	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+K"	38.963158
"305171"	150.011817	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+H+K"	39.970434
"696503"	215.025117	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+H+K"	39.970434
"1452155"	84.998517	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H+K"	39.970434
"245497"	302.087026	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+ACN+H"	42.033826
"1218207"	172.060426	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+ACN+H"	42.033826
"1203188"	86.533851	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+ACN+2H"	43.041102
"199338"	305.02436	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+2Na-H"	44.97116
"636713"	435.05096	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+2Na-H"	44.97116
"1134382"	174.99776	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2Na-H"	44.97116
"177309"	153.015818	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+2Na"	45.978436
"616140"	218.029118	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+2Na"	45.978436
"1118184"	88.002518	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2Na"	45.978436
"1400740"	59.004104	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H+2Na"	46.985712
"1433098"	177.039346	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H+HCOOH"	47.012746
"232644"	158.04884	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+3H2O+2H"	56.04448
"1518885"	191.09139	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+H"	61.06479
"413105"	161.002788	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+Na+K"	61.952376
"772640"	226.016088	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+Na+K"	61.952376
"1668970"	95.989488	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Na+K"	61.952376
"258041"	324.068968	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+ACN+Na"	64.015768
"1228558"	194.042368	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+ACN+Na"	64.015768
"1715260"	194.065893	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+NH4+HCOOH"	64.039293
"1180370"	66.331418	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+3Na"	68.967654
"1651720"	199.021288	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Na+HCOOH"	68.994688
"158217"	336.97224	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+2K-H"	76.91904
"597817"	466.99884	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+2K-H"	76.91904
"1090196"	206.94564	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2K-H"	76.91904
"142755"	168.989758	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"2M+2K"	77.926316
"585478"	234.003058	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"3M+2K"	77.926316
"1075462"	103.976458	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2K"	77.926316
"1107580"	208.960192	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2K+H"	78.933592
"1343967"	209.047807	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+DMSO+H"	79.021207
"1014685"	213.086976	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2ACN+H"	83.060376
"1534994"	214.080608	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+Na+H"	84.054008
"999254"	107.047126	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+2ACN+2H"	84.067652
"1597039"	214.995228	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+K+HCOOH"	84.968628
"1422700"	245.026738	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+H+CF3COOH"	115.000138
"1152989"	127.560401	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+3ACN+2H"	125.094202
"1703635"	262.053285	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+NH4+CF3COOH"	132.026685
"1638195"	267.00868	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+Na+CF3COOH"	136.98208
"1579315"	282.98262	"C00490"	"Itaconate;Itaconic acid;Methylenesuccinic acid"	"C5H6O4"	"130.0266"	"M+K+CF3COOH"	152.95602
"803482"	240.0238	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M"	0
"979934"	221.00541	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H2O-H"	-19.01839
"73645"	159.008590666667	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-3H"	-3.021828
"508832"	239.016524	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-3H"	-3.021828
"885540"	79.0006573333333	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-3H"	-3.021828
"5209"	239.016524	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H"	-2.014552
"450238"	359.028424	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H"	-2.014552
"824761"	119.004624	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H"	-2.014552
"84752"	479.040324	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-H"	-1.007276
"521395"	719.064124	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-H"	-1.007276
"897007"	239.016524	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H"	-1.007276
"57583"	496.066871	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H+NH4"	16.019271
"498237"	736.090671	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H+NH4"	16.019271
"878226"	256.043071	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H+NH4"	16.019271
"38472"	501.022266	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H+Na"	20.974666
"476209"	741.046066	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H+Na"	20.974666
"850727"	260.998466	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H+Na"	20.974666
"1619201"	260.998466	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na-2H"	20.974666
"98614"	257.004863	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-H+Cl"	33.962126
"538175"	377.016763	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-H+Cl"	33.962126
"934973"	136.992963	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+Cl"	33.962126
"273528"	515.017002	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Cl"	34.969402
"665948"	755.040802	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+Cl"	34.969402
"1275194"	274.993202	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl"	34.969402
"17873"	516.996206	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H+K"	36.948606
"456093"	757.020006	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H+K"	36.948606
"837183"	276.972406	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H+K"	36.948606
"1557024"	276.972406	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K-2H"	36.948606
"943448"	285.021994	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+HCOOH"	44.998194
"362392"	525.045801	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+HCOOH-H"	44.998201
"347005"	539.061451	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Hac-H"	59.013851
"1494379"	299.037651	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Hac-H"	59.013851
"958638"	307.003951	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+NaCOOH"	66.980151
"111921"	274.993202	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2Cl"	69.938804
"550995"	395.005102	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2Cl"	69.938804
"1025386"	154.981302	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2Cl"	69.938804
"1243866"	318.942685	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Br"	78.918885
"1305950"	320.998672	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl+HCOOH"	80.974872
"1327094"	342.980629	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl+NaCOOH"	102.956829
"918154"	353.009386	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+CF3COOH"	112.985586
"1294861"	388.986064	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl+CF3COOH"	148.962264
"1370108"	205.011124	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H-2H2O"	-35.012676
"1382891"	223.0211	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H-H2O"	-17.0027
"285477"	481.054876	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H"	1.007276
"675704"	721.078676	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H"	1.007276
"1351366"	241.031076	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H"	1.007276
"126403"	241.031076	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2H"	2.014552
"566694"	361.042976	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2H"	2.014552
"1042784"	121.019176	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2H"	2.014552
"209592"	161.023142666667	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+3H"	3.021828
"649153"	241.031076	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+3H"	3.021828
"1163634"	81.0152093333333	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+3H"	3.021828
"424471"	498.081423	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+NH4"	18.033823
"787900"	738.105223	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+NH4"	18.033823
"1682043"	258.057623	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+NH4"	18.033823
"330687"	249.5443495	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H+NH4"	19.041099
"724200"	369.5562495	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H+NH4"	19.041099
"1479112"	129.5324495	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+NH4"	19.041099
"394150"	503.036818	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Na"	22.989218
"756239"	743.060618	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+Na"	22.989218
"1606525"	263.013018	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na"	22.989218
"316562"	252.022047	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H+Na"	23.996494
"715544"	372.033947	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H+Na"	23.996494
"1464991"	132.010147	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+Na"	23.996494
"1053985"	88.3425233333333	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2H+Na"	25.00377
"1261011"	273.057286	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+CH3OH+H"	33.033486
"382867"	519.010758	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+K"	38.963158
"747143"	759.034558	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+K"	38.963158
"1545918"	278.986958	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K"	38.963158
"303094"	260.009017	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H+K"	39.970434
"692603"	380.020917	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H+K"	39.970434
"1449340"	139.997117	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+K"	39.970434
"241598"	522.081426	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+ACN+H"	42.033826
"1218317"	282.057626	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+ACN+H"	42.033826
"1199284"	141.532451	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+ACN+2H"	43.041102
"203216"	525.01876	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2Na-H"	44.97116
"639009"	765.04256	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2Na-H"	44.97116
"1137047"	284.99496	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2Na-H"	44.97116
"177055"	263.013018	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2Na"	45.978436
"616616"	383.024918	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2Na"	45.978436
"1117810"	143.001118	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2Na"	45.978436
"1399999"	95.6698373333333	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+2Na"	46.985712
"1431629"	287.036546	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+HCOOH"	47.012746
"233119"	268.04604	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+3H2O+2H"	56.04448
"1518995"	301.08859	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+IsoProp+H"	61.06479
"415402"	270.999988	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Na+K"	61.952376
"770808"	391.011888	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+Na+K"	61.952376
"1668719"	150.988088	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na+K"	61.952376
"255236"	544.063368	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+ACN+Na"	64.015768
"1226482"	304.039568	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+ACN+Na"	64.015768
"1716465"	304.063093	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+NH4+HCOOH"	64.039293
"1181089"	102.997151333333	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+3Na"	68.967654
"1651465"	309.018488	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na+HCOOH"	68.994688
"157719"	556.96664	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2K-H"	76.91904
"598130"	796.99044	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2K-H"	76.91904
"1088119"	316.94284	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2K-H"	76.91904
"142622"	278.986958	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2K"	77.926316
"584859"	398.998858	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2K"	77.926316
"1073386"	158.975058	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2K"	77.926316
"1106597"	318.957392	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2K+H"	78.933592
"1344077"	319.045007	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+DMSO+H"	79.021207
"1018075"	323.084176	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2ACN+H"	83.060376
"1534011"	324.077808	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+IsoProp+Na+H"	84.054008
"999364"	162.045726	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2ACN+2H"	84.067652
"1596056"	324.992428	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K+HCOOH"	84.968628
"1420621"	355.023938	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+CF3COOH"	115.000138
"1153099"	182.559001	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+3ACN+2H"	125.094202
"1703745"	372.050485	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+NH4+CF3COOH"	132.026685
"1638305"	377.00588	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na+CF3COOH"	136.98208
"1579425"	392.97982	"C00491"	"L-Cystine;L-Dicysteine;L-alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K+CF3COOH"	152.95602
"801453"	504.169	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M"	0
"976764"	485.15061	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"69382"	335.105390666667	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"508942"	503.161724	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"884557"	167.049057333333	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"5319"	503.161724	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"450348"	755.246224	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"824871"	251.077224	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"85955"	1007.330724	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"520776"	1511.499724	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"896020"	503.161724	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"57693"	1024.357271	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"498347"	1528.526271	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"878336"	520.188271	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"38582"	1029.312666	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"476683"	1533.481666	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"850473"	525.143666	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1619277"	525.143666	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"98724"	521.150063	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"538285"	773.234563	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"932894"	269.065563	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"272545"	1043.307402	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"662780"	1547.476402	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1274210"	539.138402	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"17133"	1045.286606	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"456405"	1549.455606	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"833525"	541.117606	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1556526"	541.117606	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"943192"	549.167194	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"361725"	1053.336201	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"346141"	1067.351851	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1492863"	563.182851	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"959231"	571.149151	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"110163"	539.138402	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"551347"	791.222902	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1023673"	287.053902	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1243611"	583.087885	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1306427"	585.143872	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1320643"	607.125829	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"918264"	617.154586	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1293149"	653.131264	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1369854"	469.156324	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1384077"	487.1663	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"283317"	1009.345276	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"675771"	1513.514276	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1351393"	505.176276	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"126028"	505.176276	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"567170"	757.260776	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1042894"	253.091776	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"207880"	337.119942666667	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"645613"	505.176276	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1164108"	169.063609333333	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"424503"	1026.371823	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"786553"	1530.540823	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1683247"	522.202823	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"331528"	513.6895495	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"725405"	765.7740495	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1481046"	261.6050495	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"393530"	1031.327218	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"758535"	1535.496218	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1606634"	527.158218	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"319952"	516.167247	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"714561"	768.251747	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1464008"	264.082747	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1056161"	176.390923333333	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1261121"	537.202486	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"385164"	1047.301158	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"741786"	1551.470158	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1541654"	543.132158	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"302110"	524.154217	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"693442"	776.238717	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1448357"	272.069717	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"242437"	1050.371826	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1219520"	546.202826	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1199030"	273.605051	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"203084"	1053.30916	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"633651"	1557.47816	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1137157"	549.14016	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"175098"	527.158218	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"613930"	779.242718	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1117556"	275.073718	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1399259"	183.718237333333	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1430889"	551.181746	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"230677"	532.19124	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1519104"	565.23379	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"412232"	535.145188	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"771039"	787.229688	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1666151"	283.060688	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"252796"	1072.353768	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1229875"	568.184768	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1714753"	568.208293	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1180465"	191.045551333333	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1651089"	573.163688	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"157155"	1085.25704	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"597465"	1589.42604	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1088594"	581.08804	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"141759"	543.132158	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"585700"	795.216658	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1072403"	291.047658	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1107800"	583.102592	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1344187"	583.190207	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1018185"	587.229376	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1535216"	588.223008	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"1002757"	294.118326	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1600541"	589.137628	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1421825"	619.169138	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1155397"	314.631601	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1703854"	636.195685	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1638415"	641.15108	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1579535"	657.12502	"C00492"	"Raffinose;Melitose;Melitriose;Gossypose;6G-alpha-D-galactosylsucrose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"801716"	174.0528	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M"	0
"976874"	155.03441	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-H2O-H"	-19.01839
"69492"	115.027924	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M-3H"	-3.021828
"509052"	173.045524	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M-3H"	-3.021828
"884667"	57.010324	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-3H"	-3.021828
"4336"	173.045524	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M-2H"	-2.014552
"447178"	260.071924	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M-2H"	-2.014552
"823888"	86.019124	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-2H"	-2.014552
"82785"	347.098324	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M-H"	-1.007276
"519548"	521.151124	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M-H"	-1.007276
"896049"	173.045524	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-H"	-1.007276
"55617"	364.124871	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M-2H+NH4"	16.019271
"497364"	538.177671	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M-2H+NH4"	16.019271
"875166"	190.072071	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-2H+NH4"	16.019271
"39786"	369.080266	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M-2H+Na"	20.974666
"474607"	543.133066	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M-2H+Na"	20.974666
"850217"	195.027466	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-2H+Na"	20.974666
"1618849"	195.027466	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Na-2H"	20.974666
"95919"	191.033863	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M-H+Cl"	33.962126
"539490"	278.060263	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M-H+Cl"	33.962126
"930817"	104.007463	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-H+Cl"	33.962126
"272655"	383.075002	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+Cl"	34.969402
"666170"	557.127802	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+Cl"	34.969402
"1276388"	209.022202	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Cl"	34.969402
"15887"	385.054206	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M-2H+K"	36.948606
"455769"	559.107006	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M-2H+K"	36.948606
"834486"	211.001406	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-2H+K"	36.948606
"1556879"	211.001406	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+K-2H"	36.948606
"944033"	219.050994	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-H+HCOOH"	44.998194
"362045"	393.103801	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+HCOOH-H"	44.998201
"346172"	407.119451	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+Hac-H"	59.013851
"1493870"	233.066651	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Hac-H"	59.013851
"961413"	241.032951	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-H+NaCOOH"	66.980151
"111048"	209.022202	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+2Cl"	69.938804
"550972"	296.048602	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+2Cl"	69.938804
"1023420"	121.995802	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2Cl"	69.938804
"1244091"	252.971685	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Br"	78.918885
"1308725"	255.027672	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Cl+HCOOH"	80.974872
"1325128"	277.009629	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Cl+NaCOOH"	102.956829
"916189"	287.038386	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M-H+CF3COOH"	112.985586
"1290344"	323.015064	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Cl+CF3COOH"	148.962264
"1369600"	139.040124	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H-2H2O"	-35.012676
"1385280"	157.0501	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H-H2O"	-17.0027
"283145"	349.112876	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+H"	1.007276
"676170"	523.165676	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+H"	1.007276
"1351829"	175.060076	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H"	1.007276
"127111"	175.060076	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+2H"	2.014552
"568374"	262.086476	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+2H"	2.014552
"1042640"	88.033676	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2H"	2.014552
"207990"	117.042476	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+3H"	3.021828
"647180"	175.060076	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+3H"	3.021828
"1164219"	59.024876	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+3H"	3.021828
"425302"	366.139423	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+NH4"	18.033823
"787392"	540.192223	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+NH4"	18.033823
"1683722"	192.086623	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+NH4"	18.033823
"332365"	183.5733495	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+H+NH4"	19.041099
"726245"	270.5997495	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+H+NH4"	19.041099
"1481156"	96.5469495	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H+NH4"	19.041099
"393640"	371.094818	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+Na"	22.989218
"758646"	545.147618	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+Na"	22.989218
"1608933"	197.042018	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Na"	22.989218
"321156"	186.051047	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+H+Na"	23.996494
"714672"	273.077447	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+H+Na"	23.996494
"1465212"	99.024647	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H+Na"	23.996494
"1057364"	66.35219	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2H+Na"	25.00377
"1264511"	207.086286	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+CH3OH+H"	33.033486
"385274"	387.068758	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+K"	38.963158
"742260"	561.121558	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+K"	38.963158
"1542128"	213.015958	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+K"	38.963158
"301856"	194.038017	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+H+K"	39.970434
"699020"	281.064417	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+H+K"	39.970434
"1447373"	107.011617	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H+K"	39.970434
"240346"	390.139426	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+ACN+H"	42.033826
"1219630"	216.086626	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+ACN+H"	42.033826
"1199140"	108.546951	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+ACN+2H"	43.041102
"203072"	393.07676	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+2Na-H"	44.97116
"637041"	567.12956	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+2Na-H"	44.97116
"1133987"	219.02396	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2Na-H"	44.97116
"176183"	197.042018	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+2Na"	45.978436
"616108"	284.068418	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+2Na"	45.978436
"1117787"	110.015618	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2Na"	45.978436
"1400587"	73.679504	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H+2Na"	46.985712
"1432701"	221.065546	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H+HCOOH"	47.012746
"230423"	202.07504	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+3H2O+2H"	56.04448
"1518119"	235.11759	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+IsoProp+H"	61.06479
"410155"	205.028988	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+Na+K"	61.952376
"770458"	292.055388	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+Na+K"	61.952376
"1666263"	118.002588	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Na+K"	61.952376
"254364"	412.121368	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+ACN+Na"	64.015768
"1227798"	238.068568	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+ACN+Na"	64.015768
"1714863"	238.092093	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+NH4+HCOOH"	64.039293
"1180212"	81.006818	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+3Na"	68.967654
"1650834"	243.047488	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Na+HCOOH"	68.994688
"157412"	425.02464	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+2K-H"	76.91904
"597418"	599.07744	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+2K-H"	76.91904
"1086882"	250.97184	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2K-H"	76.91904
"141787"	213.015958	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"2M+2K"	77.926316
"585810"	300.042358	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"3M+2K"	77.926316
"1073606"	125.989558	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2K"	77.926316
"1105724"	252.986392	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2K+H"	78.933592
"1349644"	253.074007	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+DMSO+H"	79.021207
"1017202"	257.113176	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2ACN+H"	83.060376
"1536419"	258.106808	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+IsoProp+Na+H"	84.054008
"999587"	129.060226	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+2ACN+2H"	84.067652
"1597371"	259.021428	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+K+HCOOH"	84.968628
"1419749"	289.052938	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+H+CF3COOH"	115.000138
"1150402"	149.573501	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+3ACN+2H"	125.094202
"1703965"	306.079485	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+NH4+CF3COOH"	132.026685
"1638525"	311.03488	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+Na+CF3COOH"	136.98208
"1579645"	327.00882	"C00493"	"Shikimate;Shikimic acid;345-Trihydroxy-1-cyclohexenecarboxylic acid"	"C7H10O5"	"174.0528"	"M+K+CF3COOH"	152.95602
"801826"	447.2693	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M"	0
"978077"	428.25091	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-H2O-H"	-19.01839
"71789"	297.172257333333	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M-3H"	-3.021828
"509162"	446.262024	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M-3H"	-3.021828
"883684"	148.082490666667	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-3H"	-3.021828
"4446"	446.262024	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M-2H"	-2.014552
"447288"	669.896674	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M-2H"	-2.014552
"825091"	222.627374	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-2H"	-2.014552
"81802"	893.531324	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M-H"	-1.007276
"519902"	1340.800624	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M-H"	-1.007276
"896973"	446.262024	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-H"	-1.007276
"55727"	910.557871	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M-2H+NH4"	16.019271
"497474"	1357.827171	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M-2H+NH4"	16.019271
"875276"	463.288571	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-2H+NH4"	16.019271
"36617"	915.513266	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M-2H+Na"	20.974666
"473989"	1362.782566	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M-2H+Na"	20.974666
"851790"	468.243966	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-2H+Na"	20.974666
"1619009"	468.243966	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Na-2H"	20.974666
"95666"	464.250363	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M-H+Cl"	33.962126
"539600"	687.885013	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M-H+Cl"	33.962126
"929834"	240.615713	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-H+Cl"	33.962126
"272766"	929.508002	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+Cl"	34.969402
"667374"	1376.777302	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+Cl"	34.969402
"1278685"	482.238702	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Cl"	34.969402
"16989"	931.487206	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M-2H+K"	36.948606
"455707"	1378.756506	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M-2H+K"	36.948606
"835326"	484.217906	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-2H+K"	36.948606
"1556748"	484.217906	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+K-2H"	36.948606
"943657"	492.267494	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-H+HCOOH"	44.998194
"361993"	939.536801	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+HCOOH-H"	44.998201
"346972"	953.552451	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+Hac-H"	59.013851
"1493982"	506.283151	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Hac-H"	59.013851
"959333"	514.249451	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-H+NaCOOH"	66.980151
"110794"	482.238702	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+2Cl"	69.938804
"551447"	705.873352	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+2Cl"	69.938804
"1022800"	258.604052	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2Cl"	69.938804
"1242741"	526.188185	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Br"	78.918885
"1306282"	528.244172	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Cl+HCOOH"	80.974872
"1324144"	550.226129	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Cl+NaCOOH"	102.956829
"916297"	560.254886	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M-H+CF3COOH"	112.985586
"1293007"	596.231564	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Cl+CF3COOH"	148.962264
"1370073"	412.256624	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H-2H2O"	-35.012676
"1383933"	430.2666	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H-H2O"	-17.0027
"284350"	895.545876	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+H"	1.007276
"676162"	1342.815176	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+H"	1.007276
"1352147"	448.276576	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H"	1.007276
"132206"	448.276576	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+2H"	2.014552
"567025"	671.911226	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+2H"	2.014552
"1042750"	224.641926	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2H"	2.014552
"207006"	299.186809333333	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+3H"	3.021828
"646200"	448.276576	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+3H"	3.021828
"1165787"	150.097042666667	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+3H"	3.021828
"425291"	912.572423	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+NH4"	18.033823
"788596"	1359.841723	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+NH4"	18.033823
"1682375"	465.303123	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+NH4"	18.033823
"332476"	456.7898495	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+H+NH4"	19.041099
"725626"	680.4244995	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+H+NH4"	19.041099
"1480175"	233.1551995	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H+NH4"	19.041099
"393386"	917.527818	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+Na"	22.989218
"754870"	1364.797118	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+Na"	22.989218
"1612324"	470.258518	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Na"	22.989218
"317986"	459.267547	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+H+Na"	23.996494
"713689"	682.902197	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+H+Na"	23.996494
"1466416"	235.632897	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H+Na"	23.996494
"1059663"	157.424356666667	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2H+Na"	25.00377
"1267901"	480.302786	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+CH3OH+H"	33.033486
"386477"	933.501758	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+K"	38.963158
"744192"	1380.771058	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+K"	38.963158
"1544061"	486.232458	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+K"	38.963158
"301601"	467.254517	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+H+K"	39.970434
"700224"	690.889167	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+H+K"	39.970434
"1448577"	243.619867	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H+K"	39.970434
"241552"	936.572426	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+ACN+H"	42.033826
"1212810"	489.303126	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+ACN+H"	42.033826
"1199250"	245.155201	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+ACN+2H"	43.041102
"192120"	939.50976	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+2Na-H"	44.97116
"637151"	1386.77906	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+2Na-H"	44.97116
"1134097"	492.24046	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2Na-H"	44.97116
"177386"	470.258518	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+2Na"	45.978436
"615854"	693.893168	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+2Na"	45.978436
"1117535"	246.623868	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2Na"	45.978436
"1403978"	164.751670666667	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H+2Na"	46.985712
"1433906"	494.282046	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H+HCOOH"	47.012746
"230533"	475.29154	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+3H2O+2H"	56.04448
"1513854"	508.33409	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+IsoProp+H"	61.06479
"409212"	478.245488	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+Na+K"	61.952376
"769972"	701.880138	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+Na+K"	61.952376
"1666045"	254.610838	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Na+K"	61.952376
"252045"	958.554368	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+ACN+Na"	64.015768
"1226002"	511.285068	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+ACN+Na"	64.015768
"1712985"	511.308593	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+NH4+HCOOH"	64.039293
"1180683"	172.078984666667	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+3Na"	68.967654
"1649912"	516.263988	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Na+HCOOH"	68.994688
"157223"	971.45764	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+2K-H"	76.91904
"597148"	1418.72694	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+2K-H"	76.91904
"1087721"	524.18834	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2K-H"	76.91904
"143440"	486.232458	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"2M+2K"	77.926316
"584096"	709.867108	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"3M+2K"	77.926316
"1073716"	262.597808	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2K"	77.926316
"1106927"	526.202892	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2K+H"	78.933592
"1348782"	526.290507	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+DMSO+H"	79.021207
"1018405"	530.329676	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2ACN+H"	83.060376
"1534342"	531.323308	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+IsoProp+Na+H"	84.054008
"998603"	265.668476	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+2ACN+2H"	84.067652
"1597481"	532.237928	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+K+HCOOH"	84.968628
"1420954"	562.269438	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+H+CF3COOH"	115.000138
"1154522"	286.181751	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+3ACN+2H"	125.094202
"1702980"	579.295985	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+NH4+CF3COOH"	132.026685
"1638635"	584.25138	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+Na+CF3COOH"	136.98208
"1579755"	600.22532	"C00494"	"Sisomicin;Antibiotic 6640;Dehydrogentamicin Cla;Rickamicin"	"C19H37N5O7"	"447.2693"	"M+K+CF3COOH"	152.95602
"810119"	332.0896	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M"	0
"986935"	313.07121	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-H2O-H"	-19.01839
"76273"	220.385790666667	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M-3H"	-3.021828
"516926"	331.082324	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M-3H"	-3.021828
"890356"	109.689257333333	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-3H"	-3.021828
"10023"	331.082324	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M-2H"	-2.014552
"444118"	497.127124	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M-2H"	-2.014552
"823014"	165.037524	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-2H"	-2.014552
"84099"	663.171924	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M-H"	-1.007276
"526939"	995.261524	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M-H"	-1.007276
"901460"	331.082324	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-H"	-1.007276
"60940"	680.198471	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M-2H+NH4"	16.019271
"500501"	1012.288071	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M-2H+NH4"	16.019271
"877946"	348.108871	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-2H+NH4"	16.019271
"43288"	685.153866	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M-2H+Na"	20.974666
"480659"	1017.243466	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M-2H+Na"	20.974666
"855181"	353.064266	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-2H+Na"	20.974666
"1629088"	353.064266	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Na-2H"	20.974666
"100150"	349.070663	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M-H+Cl"	33.962126
"542991"	515.115463	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M-H+Cl"	33.962126
"936143"	183.025863	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-H+Cl"	33.962126
"275064"	699.148602	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+Cl"	34.969402
"666390"	1031.238202	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+Cl"	34.969402
"1276609"	367.059002	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Cl"	34.969402
"16491"	701.127806	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M-2H+K"	36.948606
"458725"	1033.217406	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M-2H+K"	36.948606
"836529"	369.038206	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-2H+K"	36.948606
"1557829"	369.038206	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+K-2H"	36.948606
"944982"	377.087794	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-H+HCOOH"	44.998194
"361861"	709.177401	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+HCOOH-H"	44.998201
"347445"	723.193051	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+Hac-H"	59.013851
"1495549"	391.103451	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Hac-H"	59.013851
"959564"	399.069751	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-H+NaCOOH"	66.980151
"114184"	367.059002	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+2Cl"	69.938804
"553016"	533.103802	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+2Cl"	69.938804
"1025826"	201.014202	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2Cl"	69.938804
"1243942"	411.008485	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Br"	78.918885
"1306029"	413.064472	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Cl+HCOOH"	80.974872
"1322069"	435.046429	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Cl+NaCOOH"	102.956829
"918596"	445.075186	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M-H+CF3COOH"	112.985586
"1292024"	481.051864	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Cl+CF3COOH"	148.962264
"1368361"	297.076924	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H-2H2O"	-35.012676
"1383676"	315.0869	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H-H2O"	-17.0027
"283121"	665.186476	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+H"	1.007276
"677000"	997.276076	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+H"	1.007276
"1355055"	333.096876	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H"	1.007276
"127211"	333.096876	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+2H"	2.014552
"566891"	499.141676	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+2H"	2.014552
"1042861"	167.052076	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2H"	2.014552
"208574"	222.400342666667	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+3H"	3.021828
"648862"	333.096876	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+3H"	3.021828
"1163711"	111.703809333333	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+3H"	3.021828
"426252"	682.213023	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+NH4"	18.033823
"789071"	1014.302623	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+NH4"	18.033823
"1685400"	350.123423	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+NH4"	18.033823
"332951"	341.6101495	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+H+NH4"	19.041099
"725373"	507.6549495	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+H+NH4"	19.041099
"1478100"	175.5653495	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H+NH4"	19.041099
"393863"	687.168418	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+Na"	22.989218
"756683"	1019.258018	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+Na"	22.989218
"1605873"	355.078818	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Na"	22.989218
"314814"	344.087847	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+H+Na"	23.996494
"711614"	510.132647	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+H+Na"	23.996494
"1466526"	178.043047	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H+Na"	23.996494
"1056493"	119.031123333333	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2H+Na"	25.00377
"1264732"	365.123086	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+CH3OH+H"	33.033486
"384400"	703.142358	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+K"	38.963158
"741751"	1035.231958	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+K"	38.963158
"1543076"	371.052758	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+K"	38.963158
"306815"	352.074817	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+H+K"	39.970434
"694866"	518.119617	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+H+K"	39.970434
"1448321"	186.030017	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H+K"	39.970434
"238018"	706.213026	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+ACN+H"	42.033826
"1214378"	374.123426	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+ACN+H"	42.033826
"1201546"	187.565351	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+ACN+2H"	43.041102
"193323"	709.15036	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+2Na-H"	44.97116
"636168"	1041.23996	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+2Na-H"	44.97116
"1142955"	377.06076	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2Na-H"	44.97116
"182964"	355.078818	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+2Na"	45.978436
"620338"	521.123618	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+2Na"	45.978436
"1116669"	189.034018	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2Na"	45.978436
"1404088"	126.358437333333	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H+2Na"	46.985712
"1436203"	379.102346	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H+HCOOH"	47.012746
"231371"	360.11184	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+3H2O+2H"	56.04448
"1516153"	393.15439	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+IsoProp+H"	61.06479
"415843"	363.065788	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+Na+K"	61.952376
"772467"	529.110588	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+Na+K"	61.952376
"1668796"	197.020988	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Na+K"	61.952376
"256407"	728.194968	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+ACN+Na"	64.015768
"1230208"	396.105368	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+ACN+Na"	64.015768
"1714355"	396.128893	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+NH4+HCOOH"	64.039293
"1179217"	133.685751333333	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+3Na"	68.967654
"1650692"	401.084288	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Na+HCOOH"	68.994688
"157920"	741.09824	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+2K-H"	76.91904
"597518"	1073.18784	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+2K-H"	76.91904
"1092935"	409.00864	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2K-H"	76.91904
"145376"	371.052758	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"2M+2K"	77.926316
"585301"	537.097558	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"3M+2K"	77.926316
"1074919"	205.007958	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2K"	77.926316
"1104847"	411.023192	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2K+H"	78.933592
"1347798"	411.110807	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+DMSO+H"	79.021207
"1017424"	415.149976	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2ACN+H"	83.060376
"1538464"	416.143608	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+IsoProp+Na+H"	84.054008
"1000900"	208.078626	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+2ACN+2H"	84.067652
"1597592"	417.058228	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+K+HCOOH"	84.968628
"1424346"	447.089738	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+H+CF3COOH"	115.000138
"1152447"	228.591901	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+3ACN+2H"	125.094202
"1704184"	464.116285	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+NH4+CF3COOH"	132.026685
"1636555"	469.07168	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+Na+CF3COOH"	136.98208
"1579865"	485.04562	"C00495"	"Sulochrin"	"C17H16O7"	"332.0896"	"M+K+CF3COOH"	152.95602
"803669"	134.0215	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M"	0
"989237"	115.00311	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-H2O-H"	-19.01839
"76384"	88.3403906666667	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M-3H"	-3.021828
"513757"	133.014224	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M-3H"	-3.021828
"892653"	43.6665573333333	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-3H"	-3.021828
"4666"	133.014224	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M-2H"	-2.014552
"443135"	200.024974	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M-2H"	-2.014552
"820938"	66.003474	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-2H"	-2.014552
"86398"	267.035724	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M-H"	-1.007276
"523769"	401.057224	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M-H"	-1.007276
"907776"	133.014224	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-H"	-1.007276
"60328"	284.062271	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M-2H+NH4"	16.019271
"497695"	418.083771	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M-2H+NH4"	16.019271
"875497"	150.040771	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-2H+NH4"	16.019271
"43397"	289.017666	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M-2H+Na"	20.974666
"484051"	423.039166	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M-2H+Na"	20.974666
"861852"	154.996166	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-2H+Na"	20.974666
"1629198"	154.996166	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Na-2H"	20.974666
"98072"	151.002563	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M-H+Cl"	33.962126
"539821"	218.013313	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M-H+Cl"	33.962126
"939898"	83.991813	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-H+Cl"	33.962126
"274080"	303.012402	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+Cl"	34.969402
"669782"	437.033902	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+Cl"	34.969402
"1281092"	168.990902	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Cl"	34.969402
"20371"	304.991606	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M-2H+K"	36.948606
"461024"	439.013106	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M-2H+K"	36.948606
"836638"	170.970106	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-2H+K"	36.948606
"1559397"	170.970106	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+K-2H"	36.948606
"946183"	179.019694	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-H+HCOOH"	44.998194
"365857"	313.041201	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+HCOOH-H"	44.998201
"350105"	327.056851	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+Hac-H"	59.013851
"1500033"	193.035351	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Hac-H"	59.013851
"962834"	201.001651	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-H+NaCOOH"	66.980151
"114293"	168.990902	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+2Cl"	69.938804
"554215"	236.001652	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+2Cl"	69.938804
"1025203"	101.980152	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2Cl"	69.938804
"1244782"	212.940385	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Br"	78.918885
"1306869"	214.996372	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Cl+HCOOH"	80.974872
"1327648"	236.978329	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Cl+NaCOOH"	102.956829
"917614"	247.007086	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M-H+CF3COOH"	112.985586
"1291406"	282.983764	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Cl+CF3COOH"	148.962264
"1368473"	99.008824	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H-2H2O"	-35.012676
"1383787"	117.0188	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H-H2O"	-17.0027
"284322"	269.050276	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+H"	1.007276
"677353"	403.071776	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+H"	1.007276
"1353338"	135.028776	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H"	1.007276
"126958"	135.028776	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+2H"	2.014552
"569799"	202.039526	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+2H"	2.014552
"1040056"	68.018026	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2H"	2.014552
"209051"	90.3549426666667	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+3H"	3.021828
"648246"	135.028776	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+3H"	3.021828
"1165279"	45.6811093333333	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+3H"	3.021828
"427093"	286.076823	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+NH4"	18.033823
"789184"	420.098323	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+NH4"	18.033823
"1683691"	152.055323	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+NH4"	18.033823
"331360"	143.5420495	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+H+NH4"	19.041099
"727669"	210.5527995	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+H+NH4"	19.041099
"1481490"	76.5312995	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H+NH4"	19.041099
"393973"	291.032218	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+Na"	22.989218
"756792"	425.053718	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+Na"	22.989218
"1603429"	157.010718	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Na"	22.989218
"326957"	146.019747	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+H+Na"	23.996494
"720472"	213.030497	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+H+Na"	23.996494
"1466637"	79.008997	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H+Na"	23.996494
"1058790"	53.0084233333333	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2H+Na"	25.00377
"1264842"	167.054986	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+CH3OH+H"	33.033486
"385605"	307.006158	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+K"	38.963158
"748425"	441.027658	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+K"	38.963158
"1550479"	172.984658	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+K"	38.963158
"309111"	154.006717	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+H+K"	39.970434
"699350"	221.017467	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+H+K"	39.970434
"1452078"	86.995967	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H+K"	39.970434
"242864"	310.076826	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+ACN+H"	42.033826
"1218866"	176.055326	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+ACN+H"	42.033826
"1201656"	88.531301	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+ACN+2H"	43.041102
"201090"	313.01416	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+2Na-H"	44.97116
"638468"	447.03566	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+2Na-H"	44.97116
"1143067"	178.99266	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2Na-H"	44.97116
"181982"	157.010718	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+2Na"	45.978436
"620449"	224.021468	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+2Na"	45.978436
"1128329"	89.999968	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2Na"	45.978436
"1410758"	60.3357373333333	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H+2Na"	46.985712
"1437411"	181.034246	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H+HCOOH"	47.012746
"233307"	162.04374	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+3H2O+2H"	56.04448
"1518452"	195.08629	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+IsoProp+H"	61.06479
"412673"	164.997688	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+Na+K"	61.952376
"770509"	232.008438	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+Na+K"	61.952376
"1668906"	97.986938	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Na+K"	61.952376
"253236"	332.058768	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+ACN+Na"	64.015768
"1226793"	198.037268	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+ACN+Na"	64.015768
"1714463"	198.060793	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+NH4+HCOOH"	64.039293
"1179127"	67.6630513333333	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+3Na"	68.967654
"1651899"	203.016188	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Na+HCOOH"	68.994688
"159853"	344.96204	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+2K-H"	76.91904
"599778"	478.98354	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+2K-H"	76.91904
"1084539"	210.94054	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2K-H"	76.91904
"145483"	172.984658	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"2M+2K"	77.926316
"585045"	239.995408	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"3M+2K"	77.926316
"1073933"	105.973908	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2K"	77.926316
"1108242"	212.955092	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2K+H"	78.933592
"1338427"	213.042707	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+DMSO+H"	79.021207
"1015349"	217.081876	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2ACN+H"	83.060376
"1534565"	218.075508	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+IsoProp+Na+H"	84.054008
"998826"	109.044576	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+2ACN+2H"	84.067652
"1594423"	218.990128	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+K+HCOOH"	84.968628
"1420082"	249.021638	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+H+CF3COOH"	115.000138
"1150369"	129.557851	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+3ACN+2H"	125.094202
"1703201"	266.048185	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+NH4+CF3COOH"	132.026685
"1636665"	271.00358	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+Na+CF3COOH"	136.98208
"1579975"	286.97752	"C00497"	"(R)-Malate;D-Malate;D-Malic acid"	"C4H6O5"	"134.0215"	"M+K+CF3COOH"	152.95602
"803779"	589.0822	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M"	0
"989345"	570.06381	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-H2O-H"	-19.01839
"75401"	391.714190666667	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M-3H"	-3.021828
"512774"	588.074924	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M-3H"	-3.021828
"891670"	195.353457333333	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-3H"	-3.021828
"3682"	588.074924	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H"	-2.014552
"445431"	882.616024	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H"	-2.014552
"823233"	293.533824	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-2H"	-2.014552
"81403"	1177.157124	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M-H"	-1.007276
"521692"	1766.239324	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M-H"	-1.007276
"908244"	588.074924	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-H"	-1.007276
"60070"	1194.183671	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+NH4"	16.019271
"491244"	1783.265871	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+NH4"	16.019271
"868316"	605.101471	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-2H+NH4"	16.019271
"35123"	1199.139066	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+Na"	20.974666
"480880"	1788.221266	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+Na"	20.974666
"853215"	610.056866	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-2H+Na"	20.974666
"1621288"	610.056866	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Na-2H"	20.974666
"97451"	606.063263	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M-H+Cl"	33.962126
"538105"	900.604363	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M-H+Cl"	33.962126
"931623"	311.522163	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-H+Cl"	33.962126
"271272"	1213.133802	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+Cl"	34.969402
"667704"	1802.216002	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+Cl"	34.969402
"1274274"	624.051602	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl"	34.969402
"16101"	1215.113006	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+K"	36.948606
"458945"	1804.195206	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+K"	36.948606
"836748"	626.030806	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-2H+K"	36.948606
"1556955"	626.030806	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+K-2H"	36.948606
"942940"	634.080394	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-H+HCOOH"	44.998194
"362565"	1223.162601	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+HCOOH-H"	44.998201
"346203"	1237.178251	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+Hac-H"	59.013851
"1493579"	648.096051	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Hac-H"	59.013851
"959783"	656.062351	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-H+NaCOOH"	66.980151
"110632"	624.051602	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+2Cl"	69.938804
"553960"	918.592702	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+2Cl"	69.938804
"1023125"	329.510502	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2Cl"	69.938804
"1242339"	668.001085	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Br"	78.918885
"1304788"	670.057072	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+HCOOH"	80.974872
"1320345"	692.039029	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+NaCOOH"	102.956829
"917724"	702.067786	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M-H+CF3COOH"	112.985586
"1290058"	738.044464	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+CF3COOH"	148.962264
"1367609"	554.069524	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H-2H2O"	-35.012676
"1383405"	572.0795	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H-H2O"	-17.0027
"283825"	1179.171676	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+H"	1.007276
"678558"	1768.253876	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+H"	1.007276
"1351864"	590.089476	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H"	1.007276
"128161"	590.089476	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+2H"	2.014552
"571002"	884.630576	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+2H"	2.014552
"1037489"	295.548376	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2H"	2.014552
"209160"	393.728742666667	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+3H"	3.021828
"646166"	590.089476	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+3H"	3.021828
"1163118"	197.368009333333	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+3H"	3.021828
"425866"	1196.198223	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+NH4"	18.033823
"787469"	1785.280423	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+NH4"	18.033823
"1683070"	607.116023	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+NH4"	18.033823
"331470"	598.6027495	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+H+NH4"	19.041099
"727780"	893.1438495	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+H+NH4"	19.041099
"1479415"	304.0616495	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H+NH4"	19.041099
"394934"	1201.153618	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+Na"	22.989218
"756902"	1790.235818	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+Na"	22.989218
"1603176"	612.071418	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Na"	22.989218
"325973"	601.080447	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+H+Na"	23.996494
"719488"	895.621547	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+H+Na"	23.996494
"1466746"	306.539347	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H+Na"	23.996494
"1059991"	204.695323333333	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2H+Na"	25.00377
"1260578"	622.115686	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+CH3OH+H"	33.033486
"381339"	1217.127558	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+K"	38.963158
"745618"	1806.209758	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+K"	38.963158
"1546577"	628.045358	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+K"	38.963158
"303024"	609.067417	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+H+K"	39.970434
"693625"	903.608517	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+H+K"	39.970434
"1450364"	314.526317	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H+K"	39.970434
"237143"	1220.198226	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+H"	42.033826
"1212410"	631.116026	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+H"	42.033826
"1200674"	316.061651	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+2H"	43.041102
"197920"	1223.13556	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na-H"	44.97116
"637481"	1812.21776	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na-H"	44.97116
"1134427"	634.05336	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2Na-H"	44.97116
"176624"	612.071418	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na"	45.978436
"614238"	906.612518	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na"	45.978436
"1116767"	317.530318	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2Na"	45.978436
"1407588"	212.022637333333	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H+2Na"	46.985712
"1436425"	636.094946	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H+HCOOH"	47.012746
"232688"	617.10444	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+3H2O+2H"	56.04448
"1517469"	650.14699	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+H"	61.06479
"419341"	620.058388	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+Na+K"	61.952376
"771587"	914.599488	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+Na+K"	61.952376
"1672296"	325.517288	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Na+K"	61.952376
"255167"	1242.180168	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+Na"	64.015768
"1228603"	653.097968	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+Na"	64.015768
"1714572"	653.121493	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+HCOOH"	64.039293
"1180656"	219.349951333333	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+3Na"	68.967654
"1653100"	658.076888	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Na+HCOOH"	68.994688
"161420"	1255.08344	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+2K-H"	76.91904
"601345"	1844.16564	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+2K-H"	76.91904
"1086228"	666.00124	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2K-H"	76.91904
"146686"	628.045358	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"2M+2K"	77.926316
"585155"	922.586458	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"3M+2K"	77.926316
"1072220"	333.504258	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2K"	77.926316
"1108352"	668.015792	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2K+H"	78.933592
"1339266"	668.103407	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+DMSO+H"	79.021207
"1016552"	672.142576	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+H"	83.060376
"1534675"	673.136208	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+Na+H"	84.054008
"998936"	336.574926	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+2H"	84.067652
"1594533"	674.050828	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+K+HCOOH"	84.968628
"1421285"	704.082338	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+H+CF3COOH"	115.000138
"1153759"	357.088201	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+3ACN+2H"	125.094202
"1702218"	721.108885	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+CF3COOH"	132.026685
"1638962"	726.06428	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+Na+CF3COOH"	136.98208
"1580085"	742.03822	"C00498"	"ADP-glucose;Adenosine diphosphoglucose"	"C16H25N5O15P2"	"589.0822"	"M+K+CF3COOH"	152.95602
"815920"	176.0546	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M"	0
"989334"	157.03621	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-H2O-H"	-19.01839
"77577"	116.362457333333	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M-3H"	-3.021828
"506324"	175.047324	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M-3H"	-3.021828
"887407"	57.6775906666667	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-3H"	-3.021828
"3793"	175.047324	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M-2H"	-2.014552
"444813"	263.074624	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M-2H"	-2.014552
"822251"	87.020024	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-2H"	-2.014552
"86621"	351.101924	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M-H"	-1.007276
"527274"	527.156524	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M-H"	-1.007276
"902889"	175.047324	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-H"	-1.007276
"50335"	368.128471	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M-2H+NH4"	16.019271
"493545"	544.183071	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M-2H+NH4"	16.019271
"871344"	192.073871	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-2H+NH4"	16.019271
"41431"	373.083866	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M-2H+Na"	20.974666
"477712"	549.138466	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M-2H+Na"	20.974666
"852232"	197.029266	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-2H+Na"	20.974666
"1621768"	197.029266	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Na-2H"	20.974666
"102672"	193.035663	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M-H+Cl"	33.962126
"544419"	281.062963	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M-H+Cl"	33.962126
"929185"	105.008363	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-H+Cl"	33.962126
"271019"	387.078602	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+Cl"	34.969402
"666721"	563.133202	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+Cl"	34.969402
"1276938"	211.024002	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Cl"	34.969402
"20591"	389.057806	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M-2H+K"	36.948606
"462340"	565.112406	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M-2H+K"	36.948606
"835401"	213.003206	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-2H+K"	36.948606
"1558527"	213.003206	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+K-2H"	36.948606
"942997"	221.052794	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-H+HCOOH"	44.998194
"361465"	397.107401	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+HCOOH-H"	44.998201
"345730"	411.123051	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+Hac-H"	59.013851
"1492838"	235.068451	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Hac-H"	59.013851
"958570"	243.034751	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-H+NaCOOH"	66.980151
"110870"	211.024002	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+2Cl"	69.938804
"550004"	299.051302	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+2Cl"	69.938804
"1022025"	122.996702	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2Cl"	69.938804
"1242820"	254.973485	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Br"	78.918885
"1305998"	257.029472	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Cl+HCOOH"	80.974872
"1325683"	279.011429	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Cl+NaCOOH"	102.956829
"911880"	289.040186	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M-H+CF3COOH"	112.985586
"1290167"	325.016864	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Cl+CF3COOH"	148.962264
"1368334"	141.041924	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H-2H2O"	-35.012676
"1385832"	159.0519	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H-H2O"	-17.0027
"290989"	353.116476	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+H"	1.007276
"679763"	529.171076	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+H"	1.007276
"1351383"	177.061876	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H"	1.007276
"125959"	177.061876	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+2H"	2.014552
"568564"	265.089176	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+2H"	2.014552
"1037249"	89.034576	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2H"	2.014552
"204447"	118.377009333333	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+3H"	3.021828
"645305"	177.061876	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+3H"	3.021828
"1163562"	59.6921426666667	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+3H"	3.021828
"425133"	370.143023	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+NH4"	18.033823
"787952"	546.197623	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+NH4"	18.033823
"1681322"	194.088423	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+NH4"	18.033823
"330083"	185.5751495	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+H+NH4"	19.041099
"722867"	273.6024495	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+H+NH4"	19.041099
"1477822"	97.5478495	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H+NH4"	19.041099
"392932"	375.098418	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+Na"	22.989218
"754455"	551.153018	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+Na"	22.989218
"1603529"	199.043818	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Na"	22.989218
"319522"	188.052847	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+H+Na"	23.996494
"709756"	276.080147	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+H+Na"	23.996494
"1465763"	100.025547	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H+Na"	23.996494
"1056824"	67.0194566666667	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2H+Na"	25.00377
"1265063"	209.088086	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+CH3OH+H"	33.033486
"381451"	391.072358	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+K"	38.963158
"747915"	567.126958	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+K"	38.963158
"1549967"	215.017758	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+K"	38.963158
"302405"	196.039817	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+H+K"	39.970434
"698477"	284.067117	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+H+K"	39.970434
"1450838"	108.012517	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H+K"	39.970434
"238712"	394.143026	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+ACN+H"	42.033826
"1211791"	218.088426	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+ACN+H"	42.033826
"1204064"	109.547851	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+ACN+2H"	43.041102
"200219"	397.08036	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+2Na-H"	44.97116
"638686"	573.13496	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+2Na-H"	44.97116
"1138912"	221.02576	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2Na-H"	44.97116
"176734"	199.043818	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+2Na"	45.978436
"616292"	287.071118	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+2Na"	45.978436
"1117613"	111.016518	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2Na"	45.978436
"1404416"	74.3467706666667	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H+2Na"	46.985712
"1436534"	223.067346	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H+HCOOH"	47.012746
"234945"	204.07684	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+3H2O+2H"	56.04448
"1521952"	237.11939	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+IsoProp+H"	61.06479
"418357"	207.030788	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+Na+K"	61.952376
"771702"	295.058088	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+Na+K"	61.952376
"1668397"	119.003488	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Na+K"	61.952376
"255278"	416.124968	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+ACN+Na"	64.015768
"1228349"	240.070368	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+ACN+Na"	64.015768
"1715776"	240.093893	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+NH4+HCOOH"	64.039293
"1180773"	81.6740846666667	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+3Na"	68.967654
"1653212"	245.049288	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Na+HCOOH"	68.994688
"160444"	429.02824	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+2K-H"	76.91904
"606570"	605.08284	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+2K-H"	76.91904
"1087799"	252.97364	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2K-H"	76.91904
"148990"	215.017758	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"2M+2K"	77.926316
"584537"	303.045058	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"3M+2K"	77.926316
"1070872"	126.990458	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2K"	77.926316
"1105173"	254.988192	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2K+H"	78.933592
"1338283"	255.075807	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+DMSO+H"	79.021207
"1018848"	259.114976	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2ACN+H"	83.060376
"1537341"	260.108608	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+IsoProp+Na+H"	84.054008
"997955"	130.061126	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+2ACN+2H"	84.067652
"1594643"	261.023228	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+K+HCOOH"	84.968628
"1417024"	291.054738	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+H+CF3COOH"	115.000138
"1153872"	150.574401	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+3ACN+2H"	125.094202
"1704518"	308.081285	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+NH4+CF3COOH"	132.026685
"1642355"	313.03668	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+Na+CF3COOH"	136.98208
"1583471"	329.01062	"C00499"	"Allantoate;Allantoic acid"	"C4H8N4O4"	"176.0546"	"M+K+CF3COOH"	152.95602
"803999"	582.2478	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M"	0
"988718"	563.22941	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-H2O-H"	-19.01839
"71246"	387.157924	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M-3H"	-3.021828
"516277"	581.240524	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M-3H"	-3.021828
"891890"	193.075324	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-3H"	-3.021828
"1352"	581.240524	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M-2H"	-2.014552
"442736"	872.364424	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M-2H"	-2.014552
"822363"	290.116624	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-2H"	-2.014552
"83450"	1163.488324	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M-H"	-1.007276
"521185"	1745.736124	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M-H"	-1.007276
"898625"	581.240524	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-H"	-1.007276
"49351"	1180.514871	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M-2H+NH4"	16.019271
"489642"	1762.762671	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M-2H+NH4"	16.019271
"867080"	598.267071	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-2H+NH4"	16.019271
"34981"	1185.470266	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M-2H+Na"	20.974666
"477822"	1767.718066	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M-2H+Na"	20.974666
"850157"	603.222466	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-2H+Na"	20.974666
"1625160"	603.222466	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Na-2H"	20.974666
"98409"	599.228863	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M-H+Cl"	33.962126
"541249"	890.352763	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M-H+Cl"	33.962126
"932576"	308.104963	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-H+Cl"	33.962126
"270039"	1199.465002	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+Cl"	34.969402
"663552"	1781.712802	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+Cl"	34.969402
"1275955"	617.217202	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Cl"	34.969402
"20701"	1201.444206	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M-2H+K"	36.948606
"456982"	1783.692006	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M-2H+K"	36.948606
"833039"	619.196406	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-2H+K"	36.948606
"1556813"	619.196406	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+K-2H"	36.948606
"942782"	627.245994	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-H+HCOOH"	44.998194
"361507"	1209.493801	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+HCOOH-H"	44.998201
"347521"	1223.509451	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+Hac-H"	59.013851
"1492761"	641.261651	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Hac-H"	59.013851
"959886"	649.227951	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-H+NaCOOH"	66.980151
"111711"	617.217202	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+2Cl"	69.938804
"550542"	908.341102	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+2Cl"	69.938804
"1022621"	326.093302	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2Cl"	69.938804
"1242197"	661.166685	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Br"	78.918885
"1305620"	663.222672	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Cl+HCOOH"	80.974872
"1322512"	685.204629	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Cl+NaCOOH"	102.956829
"911864"	695.233386	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M-H+CF3COOH"	112.985586
"1289789"	731.210064	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Cl+CF3COOH"	148.962264
"1372091"	547.235124	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H-2H2O"	-35.012676
"1391411"	565.2451	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H-H2O"	-17.0027
"292923"	1165.502876	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+H"	1.007276
"682427"	1747.750676	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+H"	1.007276
"1351440"	583.255076	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H"	1.007276
"126195"	583.255076	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+2H"	2.014552
"567582"	874.378976	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+2H"	2.014552
"1037148"	292.131176	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2H"	2.014552
"206101"	389.172476	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+3H"	3.021828
"646752"	583.255076	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+3H"	3.021828
"1162821"	195.089876	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+3H"	3.021828
"425364"	1182.529423	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+NH4"	18.033823
"787698"	1764.777223	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+NH4"	18.033823
"1681473"	600.281623	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+NH4"	18.033823
"330230"	591.7683495	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+H+NH4"	19.041099
"725083"	882.8922495	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+H+NH4"	19.041099
"1477688"	300.6444495	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H+NH4"	19.041099
"393124"	1187.484818	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+Na"	22.989218
"754404"	1769.732618	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+Na"	22.989218
"1610689"	605.237018	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Na"	22.989218
"320727"	594.246047	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+H+Na"	23.996494
"708164"	885.369947	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+H+Na"	23.996494
"1462594"	303.122147	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H+Na"	23.996494
"1055842"	202.41719	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2H+Na"	25.00377
"1264080"	615.281286	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+CH3OH+H"	33.033486
"382655"	1203.458758	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+K"	38.963158
"746933"	1785.706558	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+K"	38.963158
"1550077"	621.210958	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+K"	38.963158
"303975"	602.233017	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+H+K"	39.970434
"700410"	893.356917	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+H+K"	39.970434
"1451314"	311.109117	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H+K"	39.970434
"240280"	1206.529426	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+ACN+H"	42.033826
"1214451"	624.281626	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+ACN+H"	42.033826
"1198708"	312.644451	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+ACN+2H"	43.041102
"199236"	1209.46676	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+2Na-H"	44.97116
"637703"	1791.71456	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+2Na-H"	44.97116
"1140115"	627.21896	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2Na-H"	44.97116
"176844"	605.237018	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+2Na"	45.978436
"614216"	896.360918	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+2Na"	45.978436
"1119909"	314.113118	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2Na"	45.978436
"1400152"	209.744504	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H+2Na"	46.985712
"1436644"	629.260546	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H+HCOOH"	47.012746
"231816"	610.27004	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+3H2O+2H"	56.04448
"1518782"	643.31259	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+IsoProp+H"	61.06479
"418467"	613.223988	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+Na+K"	61.952376
"770716"	904.347888	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+Na+K"	61.952376
"1666317"	322.100088	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Na+K"	61.952376
"254662"	1228.511368	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+ACN+Na"	64.015768
"1228096"	646.263568	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+ACN+Na"	64.015768
"1715157"	646.287093	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+NH4+HCOOH"	64.039293
"1180154"	217.071818	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+3Na"	68.967654
"1651871"	651.242488	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Na+HCOOH"	68.994688
"160554"	1241.41464	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+2K-H"	76.91904
"605584"	1823.66244	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+2K-H"	76.91904
"1085844"	659.16684	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2K-H"	76.91904
"149100"	621.210958	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"2M+2K"	77.926316
"584283"	912.334858	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"3M+2K"	77.926316
"1070983"	330.087058	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2K"	77.926316
"1103461"	661.181392	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2K+H"	78.933592
"1338393"	661.269007	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+DMSO+H"	79.021207
"1015679"	665.308176	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2ACN+H"	83.060376
"1537089"	666.301808	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+IsoProp+Na+H"	84.054008
"1003536"	333.157726	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+2ACN+2H"	84.067652
"1593660"	667.216428	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+K+HCOOH"	84.968628
"1421509"	697.247938	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+H+CF3COOH"	115.000138
"1157262"	353.671001	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+3ACN+2H"	125.094202
"1706815"	714.274485	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+NH4+CF3COOH"	132.026685
"1649028"	719.22988	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+Na+CF3COOH"	136.98208
"1578115"	735.20382	"C00500"	"Biliverdin;Biliverdin IX alpha"	"C33H34N4O6"	"582.2478"	"M+K+CF3COOH"	152.95602
"801922"	565.071	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M"	0
"985300"	546.05261	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-H2O-H"	-19.01839
"75730"	375.706724	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M-3H"	-3.021828
"517358"	564.063724	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M-3H"	-3.021828
"888720"	187.349724	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-3H"	-3.021828
"1827"	564.063724	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M-2H"	-2.014552
"440659"	846.599224	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M-2H"	-2.014552
"821013"	281.528224	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-2H"	-2.014552
"79182"	1129.134724	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M-H"	-1.007276
"520324"	1694.205724	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M-H"	-1.007276
"897642"	564.063724	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-H"	-1.007276
"48855"	1146.161271	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M-2H+NH4"	16.019271
"487803"	1711.232271	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M-2H+NH4"	16.019271
"866097"	581.090271	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-2H+NH4"	16.019271
"32905"	1151.116666	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M-2H+Na"	20.974666
"480120"	1716.187666	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M-2H+Na"	20.974666
"852455"	586.045666	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-2H+Na"	20.974666
"1623082"	586.045666	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Na-2H"	20.974666
"99612"	582.052063	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M-H+Cl"	33.962126
"540265"	864.587563	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M-H+Cl"	33.962126
"932685"	299.516563	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-H+Cl"	33.962126
"273429"	1165.111402	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+Cl"	34.969402
"668037"	1730.182402	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+Cl"	34.969402
"1278252"	600.040402	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Cl"	34.969402
"17652"	1167.090606	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M-2H+K"	36.948606
"457213"	1732.161606	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M-2H+K"	36.948606
"833919"	602.019606	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-2H+K"	36.948606
"1556233"	602.019606	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+K-2H"	36.948606
"945532"	610.069194	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-H+HCOOH"	44.998194
"361606"	1175.140201	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+HCOOH-H"	44.998201
"346535"	1189.155851	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+Hac-H"	59.013851
"1494035"	624.084851	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Hac-H"	59.013851
"964007"	632.051151	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-H+NaCOOH"	66.980151
"111213"	600.040402	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+2Cl"	69.938804
"554662"	882.575902	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+2Cl"	69.938804
"1024921"	317.504902	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2Cl"	69.938804
"1245229"	643.989885	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Br"	78.918885
"1306584"	646.045872	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Cl+HCOOH"	80.974872
"1330278"	668.027829	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Cl+NaCOOH"	102.956829
"913317"	678.056586	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M-H+CF3COOH"	112.985586
"1295854"	714.033264	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Cl+CF3COOH"	148.962264
"1367819"	530.058324	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H-2H2O"	-35.012676
"1386052"	548.0683	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H-H2O"	-17.0027
"283786"	1131.149276	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+H"	1.007276
"681442"	1696.220276	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+H"	1.007276
"1353783"	566.078276	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H"	1.007276
"126665"	566.078276	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+2H"	2.014552
"566713"	848.613776	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+2H"	2.014552
"1037497"	283.542776	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2H"	2.014552
"205113"	377.721276	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+3H"	3.021828
"646132"	566.078276	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+3H"	3.021828
"1163091"	189.364276	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+3H"	3.021828
"425231"	1148.175823	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+NH4"	18.033823
"787808"	1713.246823	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+NH4"	18.033823
"1682312"	583.104823	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+NH4"	18.033823
"331073"	574.5915495	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+H+NH4"	19.041099
"724465"	857.1270495	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+H+NH4"	19.041099
"1478289"	292.0560495	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H+NH4"	19.041099
"397695"	1153.131218	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+Na"	22.989218
"757961"	1718.202218	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+Na"	22.989218
"1611894"	588.060218	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Na"	22.989218
"323024"	577.069247	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+H+Na"	23.996494
"712166"	859.604747	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+H+Na"	23.996494
"1469267"	294.533747	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H+Na"	23.996494
"1058139"	196.69159	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2H+Na"	25.00377
"1266380"	598.104486	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+CH3OH+H"	33.033486
"381676"	1169.105158	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+K"	38.963158
"747046"	1734.176158	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+K"	38.963158
"1553107"	604.034158	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+K"	38.963158
"311743"	585.056217	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+H+K"	39.970434
"700881"	867.591717	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+H+K"	39.970434
"1454702"	302.520717	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H+K"	39.970434
"244398"	1172.175826	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+ACN+H"	42.033826
"1214190"	607.104826	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+ACN+H"	42.033826
"1196625"	304.056051	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+ACN+2H"	43.041102
"194237"	1175.11316	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+2Na-H"	44.97116
"632702"	1740.18416	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+2Na-H"	44.97116
"1133654"	610.04216	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2Na-H"	44.97116
"176583"	588.060218	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+2Na"	45.978436
"615416"	870.595718	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+2Na"	45.978436
"1123296"	305.524718	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2Na"	45.978436
"1406819"	204.018904	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H+2Na"	46.985712
"1437114"	612.083746	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H+HCOOH"	47.012746
"222195"	593.09324	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+3H2O+2H"	56.04448
"1509529"	626.13579	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+H"	61.06479
"413473"	596.047188	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+Na+K"	61.952376
"773377"	878.582688	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+Na+K"	61.952376
"1667884"	313.511688	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Na+K"	61.952376
"254403"	1194.157768	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+ACN+Na"	64.015768
"1227109"	629.086768	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+ACN+Na"	64.015768
"1713928"	629.110293	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+NH4+HCOOH"	64.039293
"1179891"	211.346218	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+3Na"	68.967654
"1650513"	634.065688	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Na+HCOOH"	68.994688
"159562"	1207.06104	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+2K-H"	76.91904
"600581"	1772.13204	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+2K-H"	76.91904
"1086551"	641.99004	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2K-H"	76.91904
"144826"	604.034158	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"2M+2K"	77.926316
"583657"	886.569658	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"3M+2K"	77.926316
"1070721"	321.498658	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2K"	77.926316
"1102839"	644.004592	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2K+H"	78.933592
"1338503"	644.092207	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+DMSO+H"	79.021207
"1014688"	648.131376	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2ACN+H"	83.060376
"1535001"	649.125008	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+Na+H"	84.054008
"1003272"	324.569326	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+2ACN+2H"	84.067652
"1593772"	650.039628	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+K+HCOOH"	84.968628
"1420525"	680.071138	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+H+CF3COOH"	115.000138
"1157372"	345.082601	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+3ACN+2H"	125.094202
"1706925"	697.097685	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+NH4+CF3COOH"	132.026685
"1649502"	702.05308	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+Na+CF3COOH"	136.98208
"1578225"	718.02702	"C00501"	"CDP-glucose;CDP-D-Glucose"	"C15H25N3O16P2"	"565.071"	"M+K+CF3COOH"	152.95602
"803125"	166.0477	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M"	0
"986503"	147.02931	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-H2O-H"	-19.01839
"76933"	109.691190666667	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M-3H"	-3.021828
"517589"	165.040424	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M-3H"	-3.021828
"889923"	54.3419573333333	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-3H"	-3.021828
"1937"	165.040424	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M-2H"	-2.014552
"441498"	248.064274	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M-2H"	-2.014552
"820759"	82.016574	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-2H"	-2.014552
"79412"	331.088124	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M-H"	-1.007276
"521042"	497.135824	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M-H"	-1.007276
"896534"	165.040424	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-H"	-1.007276
"48236"	348.114671	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M-2H+NH4"	16.019271
"488153"	514.162371	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M-2H+NH4"	16.019271
"865351"	182.066971	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-2H+NH4"	16.019271
"35201"	353.070066	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M-2H+Na"	20.974666
"478043"	519.117766	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M-2H+Na"	20.974666
"852565"	187.022366	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-2H+Na"	20.974666
"1624285"	187.022366	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Na-2H"	20.974666
"100815"	183.028763	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M-H+Cl"	33.962126
"541468"	266.052613	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M-H+Cl"	33.962126
"933888"	100.004913	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-H+Cl"	33.962126
"275726"	367.064802	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+Cl"	34.969402
"669240"	533.112502	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+Cl"	34.969402
"1278362"	201.017102	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Cl"	34.969402
"17762"	369.044006	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M-2H+K"	36.948606
"456715"	535.091706	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M-2H+K"	36.948606
"833665"	202.996306	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-2H+K"	36.948606
"1556547"	202.996306	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+K-2H"	36.948606
"945278"	211.045894	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-H+HCOOH"	44.998194
"363125"	377.093601	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+HCOOH-H"	44.998201
"347378"	391.109251	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+Hac-H"	59.013851
"1495115"	225.061551	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Hac-H"	59.013851
"965939"	233.027851	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-H+NaCOOH"	66.980151
"115211"	201.017102	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+2Cl"	69.938804
"553313"	284.040952	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+2Cl"	69.938804
"1025395"	117.993252	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2Cl"	69.938804
"1243879"	244.966585	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Br"	78.918885
"1309974"	247.022572	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Cl+HCOOH"	80.974872
"1328200"	269.004529	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Cl+NaCOOH"	102.956829
"921446"	279.033286	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M-H+CF3COOH"	112.985586
"1292319"	315.009964	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Cl+CF3COOH"	148.962264
"1367401"	131.035024	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H-2H2O"	-35.012676
"1383975"	149.045	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H-H2O"	-17.0027
"283207"	333.102676	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+H"	1.007276
"678272"	499.150376	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+H"	1.007276
"1352068"	167.054976	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H"	1.007276
"125718"	167.054976	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+2H"	2.014552
"565967"	250.078826	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+2H"	2.014552
"1037444"	84.031126	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2H"	2.014552
"204449"	111.705742666667	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+3H"	3.021828
"645512"	167.054976	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+3H"	3.021828
"1166931"	56.3565093333333	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+3H"	3.021828
"426922"	350.129223	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+NH4"	18.033823
"787918"	516.176923	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+NH4"	18.033823
"1681936"	184.081523	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+NH4"	18.033823
"331059"	175.5682495	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+H+NH4"	19.041099
"724209"	258.5920995	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+H+NH4"	19.041099
"1478152"	92.5443995	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H+NH4"	19.041099
"394890"	355.084618	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+Na"	22.989218
"755641"	521.132318	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+Na"	22.989218
"1608723"	189.036918	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Na"	22.989218
"317302"	178.045947	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+H+Na"	23.996494
"710453"	261.069797	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+H+Na"	23.996494
"1466095"	95.022097	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H+Na"	23.996494
"1056062"	63.6838233333333	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2H+Na"	25.00377
"1261387"	199.081186	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+CH3OH+H"	33.033486
"382148"	371.058558	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+K"	38.963158
"742054"	537.106258	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+K"	38.963158
"1552487"	205.010858	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+K"	38.963158
"311851"	186.032917	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+H+K"	39.970434
"698806"	269.056767	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+H+K"	39.970434
"1454813"	103.009067	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H+K"	39.970434
"241227"	374.129226	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+ACN+H"	42.033826
"1213935"	208.081526	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+ACN+H"	42.033826
"1198194"	104.544401	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+ACN+2H"	43.041102
"192160"	377.06656	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+2Na-H"	44.97116
"632448"	543.11426	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+2Na-H"	44.97116
"1133764"	211.01886	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2Na-H"	44.97116
"175598"	189.036918	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+2Na"	45.978436
"615891"	272.060768	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+2Na"	45.978436
"1119032"	106.013068	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2Na"	45.978436
"1402555"	71.0111373333333	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H+2Na"	46.985712
"1435764"	213.060446	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H+HCOOH"	47.012746
"220522"	194.06994	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+3H2O+2H"	56.04448
"1512066"	227.11249	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+IsoProp+H"	61.06479
"416135"	197.023888	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+Na+K"	61.952376
"772393"	280.047738	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+Na+K"	61.952376
"1666537"	114.000038	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Na+K"	61.952376
"251794"	396.111168	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+ACN+Na"	64.015768
"1226406"	230.063468	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+ACN+Na"	64.015768
"1712990"	230.086993	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+NH4+HCOOH"	64.039293
"1178781"	78.3384513333333	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+3Na"	68.967654
"1649940"	235.042388	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Na+HCOOH"	68.994688
"157319"	409.01444	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+2K-H"	76.91904
"597323"	575.06214	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+2K-H"	76.91904
"1085568"	242.96674	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2K-H"	76.91904
"142504"	205.010858	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"2M+2K"	77.926316
"583767"	288.034708	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"3M+2K"	77.926316
"1070831"	121.987008	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2K"	77.926316
"1102221"	244.981292	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2K+H"	78.933592
"1338612"	245.068907	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+DMSO+H"	79.021207
"1011518"	249.108076	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2ACN+H"	83.060376
"1528550"	250.101708	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+IsoProp+Na+H"	84.054008
"998279"	125.057676	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+2ACN+2H"	84.067652
"1593882"	251.016328	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+K+HCOOH"	84.968628
"1420634"	281.047838	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+H+CF3COOH"	115.000138
"1150922"	145.570951	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+3ACN+2H"	125.094202
"1708128"	298.074385	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+NH4+CF3COOH"	132.026685
"1648518"	303.02978	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+Na+CF3COOH"	136.98208
"1575055"	319.00372	"C00502"	"D-Xylonate"	"C5H10O6"	"166.0477"	"M+K+CF3COOH"	152.95602
"804329"	122.0579	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M"	0
"989894"	103.03951	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-H2O-H"	-19.01839
"75950"	80.3646573333333	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M-3H"	-3.021828
"518493"	121.050624	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M-3H"	-3.021828
"894409"	39.6786906666667	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-3H"	-3.021828
"11891"	121.050624	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M-2H"	-2.014552
"453639"	182.079574	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M-2H"	-2.014552
"829255"	60.021674	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-2H"	-2.014552
"90342"	243.108524	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M-H"	-1.007276
"528807"	365.166424	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M-H"	-1.007276
"898956"	121.050624	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-H"	-1.007276
"48711"	260.135071	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M-2H+NH4"	16.019271
"489609"	382.192971	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M-2H+NH4"	16.019271
"870693"	138.077171	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-2H+NH4"	16.019271
"37501"	265.090466	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M-2H+Na"	20.974666
"479249"	387.148366	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M-2H+Na"	20.974666
"855955"	143.032566	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-2H+Na"	20.974666
"1623302"	143.032566	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Na-2H"	20.974666
"100925"	139.038963	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M-H+Cl"	33.962126
"539391"	200.067913	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M-H+Cl"	33.962126
"935092"	78.010013	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-H+Cl"	33.962126
"275836"	279.085202	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+Cl"	34.969402
"670443"	401.143102	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+Cl"	34.969402
"1278472"	157.027302	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Cl"	34.969402
"17872"	281.064406	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M-2H+K"	36.948606
"456131"	403.122306	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M-2H+K"	36.948606
"833168"	159.006506	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-2H+K"	36.948606
"1557874"	159.006506	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+K-2H"	36.948606
"944294"	167.056094	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-H+HCOOH"	44.998194
"363239"	289.114001	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+HCOOH-H"	44.998201
"347488"	303.129651	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+Hac-H"	59.013851
"1497413"	181.071751	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Hac-H"	59.013851
"966049"	189.038051	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-H+NaCOOH"	66.980151
"115321"	157.027302	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+2Cl"	69.938804
"554517"	218.056252	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+2Cl"	69.938804
"1028057"	95.998352	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2Cl"	69.938804
"1247999"	200.976785	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Br"	78.918885
"1311907"	203.032772	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Cl+HCOOH"	80.974872
"1327217"	225.014729	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Cl+NaCOOH"	102.956829
"921556"	235.043486	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M-H+CF3COOH"	112.985586
"1292429"	271.020164	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Cl+CF3COOH"	148.962264
"1369135"	87.045224	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H-2H2O"	-35.012676
"1384814"	105.0552	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H-H2O"	-17.0027
"283402"	245.123076	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+H"	1.007276
"678382"	367.180976	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+H"	1.007276
"1351567"	123.065176	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H"	1.007276
"125911"	123.065176	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+2H"	2.014552
"565838"	184.094126	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+2H"	2.014552
"1037105"	62.036226	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2H"	2.014552
"204388"	82.3792093333333	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+3H"	3.021828
"644897"	123.065176	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+3H"	3.021828
"1169228"	41.6932426666667	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+3H"	3.021828
"428125"	262.149623	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+NH4"	18.033823
"788028"	384.207523	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+NH4"	18.033823
"1681452"	140.091723	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+NH4"	18.033823
"330095"	131.5784495	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+H+NH4"	19.041099
"723104"	192.6073995	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+H+NH4"	19.041099
"1477900"	70.5494995	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H+NH4"	19.041099
"394272"	267.105018	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+Na"	22.989218
"757089"	389.162918	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+Na"	22.989218
"1604095"	145.047118	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Na"	22.989218
"317048"	134.056147	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+H+Na"	23.996494
"709469"	195.085097	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+H+Na"	23.996494
"1468392"	73.027197	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H+Na"	23.996494
"1055442"	49.0205566666667	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2H+Na"	25.00377
"1264413"	155.091386	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+CH3OH+H"	33.033486
"380801"	283.078958	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+K"	38.963158
"748361"	405.136858	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+K"	38.963158
"1552597"	161.021058	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+K"	38.963158
"310866"	142.043117	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+H+K"	39.970434
"698916"	203.072067	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+H+K"	39.970434
"1454923"	81.014167	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H+K"	39.970434
"241337"	286.149626	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+ACN+H"	42.033826
"1212952"	164.091726	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+ACN+H"	42.033826
"1196847"	82.549501	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+ACN+2H"	43.041102
"191906"	289.08696	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+2Na-H"	44.97116
"630128"	411.14486	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+2Na-H"	44.97116
"1133389"	167.02906	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2Na-H"	44.97116
"175102"	145.047118	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+2Na"	45.978436
"614542"	206.076068	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+2Na"	45.978436
"1116956"	84.018168	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2Na"	45.978436
"1402665"	56.3478706666667	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H+2Na"	46.985712
"1431500"	169.070646	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H+HCOOH"	47.012746
"220591"	150.08014	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+3H2O+2H"	56.04448
"1509990"	183.12269	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+IsoProp+H"	61.06479
"415516"	153.034088	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+Na+K"	61.952376
"770678"	214.063038	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+Na+K"	61.952376
"1666645"	92.005138	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Na+K"	61.952376
"252068"	308.131568	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+ACN+Na"	64.015768
"1225663"	186.073668	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+ACN+Na"	64.015768
"1712936"	186.097193	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+NH4+HCOOH"	64.039293
"1178580"	63.6751846666667	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+3Na"	68.967654
"1649951"	191.052588	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Na+HCOOH"	68.994688
"157251"	321.03484	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+2K-H"	76.91904
"597678"	443.09274	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+2K-H"	76.91904
"1086042"	198.97694	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2K-H"	76.91904
"142858"	161.021058	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"2M+2K"	77.926316
"582659"	222.050008	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"3M+2K"	77.926316
"1070212"	99.992108	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2K"	77.926316
"1102695"	200.991492	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2K+H"	78.933592
"1338718"	201.079107	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+DMSO+H"	79.021207
"1008344"	205.118276	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2ACN+H"	83.060376
"1528660"	206.111908	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+IsoProp+Na+H"	84.054008
"997296"	103.062776	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+2ACN+2H"	84.067652
"1598366"	207.026528	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+K+HCOOH"	84.968628
"1426212"	237.058038	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+H+CF3COOH"	115.000138
"1154312"	123.576051	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+3ACN+2H"	125.094202
"1711520"	254.084585	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+NH4+CF3COOH"	132.026685
"1649237"	259.03998	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+Na+CF3COOH"	136.98208
"1577352"	275.01392	"C00503"	"Erythritol;Erythrol;Phycitol;Phycite;Erythrite"	"C4H10O4"	"122.0579"	"M+K+CF3COOH"	152.95602
"801438"	441.1397	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M"	0
"981255"	422.12131	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-H2O-H"	-19.01839
"67310"	293.085857333333	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M-3H"	-3.021828
"511245"	440.132424	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M-3H"	-3.021828
"889047"	146.039290666667	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-3H"	-3.021828
"10907"	440.132424	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M-2H"	-2.014552
"447188"	660.702274	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M-2H"	-2.014552
"824990"	219.562574	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-2H"	-2.014552
"90452"	881.272124	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M-H"	-1.007276
"528917"	1322.411824	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M-H"	-1.007276
"899066"	440.132424	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-H"	-1.007276
"48457"	898.298671	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M-2H+NH4"	16.019271
"489719"	1339.438371	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M-2H+NH4"	16.019271
"866430"	457.158971	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-2H+NH4"	16.019271
"34331"	903.254066	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M-2H+Na"	20.974666
"477172"	1344.393766	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M-2H+Na"	20.974666
"852785"	462.114366	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-2H+Na"	20.974666
"1620253"	462.114366	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Na-2H"	20.974666
"101035"	458.120763	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M-H+Cl"	33.962126
"539501"	678.690613	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M-H+Cl"	33.962126
"933014"	237.550913	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-H+Cl"	33.962126
"274853"	917.248802	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+Cl"	34.969402
"667273"	1358.388502	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+Cl"	34.969402
"1277489"	476.109102	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Cl"	34.969402
"18225"	919.228006	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M-2H+K"	36.948606
"456200"	1360.367706	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M-2H+K"	36.948606
"833116"	478.088306	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-2H+K"	36.948606
"1556648"	478.088306	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+K-2H"	36.948606
"943674"	486.137894	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-H+HCOOH"	44.998194
"362739"	927.277601	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+HCOOH-H"	44.998201
"348326"	941.293251	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+Hac-H"	59.013851
"1497522"	500.153551	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Hac-H"	59.013851
"967253"	508.119851	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-H+NaCOOH"	66.980151
"114338"	476.109102	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+2Cl"	69.938804
"557908"	696.678952	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+2Cl"	69.938804
"1027803"	255.539252	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2Cl"	69.938804
"1247745"	520.058585	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Br"	78.918885
"1314204"	522.114572	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Cl+HCOOH"	80.974872
"1332794"	544.096529	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Cl+NaCOOH"	102.956829
"922760"	554.125286	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M-H+CF3COOH"	112.985586
"1295091"	590.101964	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Cl+CF3COOH"	148.962264
"1368517"	406.127024	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H-2H2O"	-35.012676
"1385289"	424.137	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H-H2O"	-17.0027
"283512"	883.286676	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+H"	1.007276
"678492"	1324.426376	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+H"	1.007276
"1351514"	442.146976	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H"	1.007276
"126509"	442.146976	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+2H"	2.014552
"567289"	662.716826	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+2H"	2.014552
"1037345"	221.577126	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2H"	2.014552
"204509"	295.100409333333	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+3H"	3.021828
"645008"	442.146976	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+3H"	3.021828
"1162889"	148.053842666667	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+3H"	3.021828
"428235"	900.313223	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+NH4"	18.033823
"788138"	1341.452923	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+NH4"	18.033823
"1681668"	459.173523	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+NH4"	18.033823
"330015"	450.6602495	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+H+NH4"	19.041099
"723456"	671.2300995	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+H+NH4"	19.041099
"1477394"	230.0903995	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H+NH4"	19.041099
"392991"	905.268618	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+Na"	22.989218
"756834"	1346.408318	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+Na"	22.989218
"1604205"	464.128918	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Na"	22.989218
"316428"	453.137947	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+H+Na"	23.996494
"707341"	673.707797	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+H+Na"	23.996494
"1463400"	232.568097	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H+Na"	23.996494
"1054822"	155.381156666667	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2H+Na"	25.00377
"1258689"	474.173186	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+CH3OH+H"	33.033486
"379087"	921.242558	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+K"	38.963158
"739113"	1362.382258	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+K"	38.963158
"1550519"	480.102858	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+K"	38.963158
"308788"	461.124917	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+H+K"	39.970434
"699023"	681.694767	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+H+K"	39.970434
"1450658"	240.555067	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H+K"	39.970434
"239260"	924.313226	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+ACN+H"	42.033826
"1213061"	483.173526	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+ACN+H"	42.033826
"1199143"	242.090401	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+ACN+2H"	43.041102
"192375"	927.25056	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+2Na-H"	44.97116
"638136"	1368.39026	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+2Na-H"	44.97116
"1133740"	486.11086	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2Na-H"	44.97116
"177278"	464.128918	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+2Na"	45.978436
"615746"	684.698768	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+2Na"	45.978436
"1120346"	243.559068	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2Na"	45.978436
"1404962"	162.708470666667	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H+2Na"	46.985712
"1433797"	488.152446	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H+HCOOH"	47.012746
"222404"	469.16194	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+3H2O+2H"	56.04448
"1510829"	502.20449	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+IsoProp+H"	61.06479
"415626"	472.115888	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+Na+K"	61.952376
"771882"	692.685738	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+Na+K"	61.952376
"1665855"	251.546038	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Na+K"	61.952376
"251814"	946.295168	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+ACN+Na"	64.015768
"1226221"	505.155468	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+ACN+Na"	64.015768
"1712991"	505.178993	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+NH4+HCOOH"	64.039293
"1178566"	170.035784666667	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+3Na"	68.967654
"1650192"	510.134388	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Na+HCOOH"	68.994688
"157297"	959.19844	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+2K-H"	76.91904
"597181"	1400.33814	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+2K-H"	76.91904
"1084816"	518.05874	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2K-H"	76.91904
"142606"	480.102858	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"2M+2K"	77.926316
"581558"	700.672708	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"3M+2K"	77.926316
"1068988"	259.533008	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2K"	77.926316
"1101712"	520.073292	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2K+H"	78.933592
"1338464"	520.160907	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+DMSO+H"	79.021207
"1008089"	524.200076	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2ACN+H"	83.060376
"1529864"	525.193708	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+IsoProp+Na+H"	84.054008
"993031"	262.603676	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+2ACN+2H"	84.067652
"1598476"	526.108328	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+K+HCOOH"	84.968628
"1424135"	556.139838	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+H+CF3COOH"	115.000138
"1151142"	283.116951	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+3ACN+2H"	125.094202
"1710535"	573.166385	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+NH4+CF3COOH"	132.026685
"1649466"	578.12178	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+Na+CF3COOH"	136.98208
"1577462"	594.09572	"C00504"	"Folate;Pteroylglutamic acid;Folic acid"	"C19H19N7O6"	"441.1397"	"M+K+CF3COOH"	152.95602
"802363"	169.0045	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M"	0
"986469"	149.98611	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-H2O-H"	-19.01839
"76171"	111.662390666667	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M-3H"	-3.021828
"515732"	167.997224	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M-3H"	-3.021828
"889161"	55.3275573333333	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-3H"	-3.021828
"12110"	167.997224	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M-2H"	-2.014552
"450578"	252.499474	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M-2H"	-2.014552
"827292"	83.494974	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-2H"	-2.014552
"89469"	337.001724	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M-H"	-1.007276
"527935"	506.006224	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M-H"	-1.007276
"902457"	167.997224	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-H"	-1.007276
"48084"	354.028271	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M-2H+NH4"	16.019271
"495297"	523.032771	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M-2H+NH4"	16.019271
"876383"	185.023771	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-2H+NH4"	16.019271
"41003"	358.983666	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M-2H+Na"	20.974666
"479470"	527.988166	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M-2H+Na"	20.974666
"852896"	189.979166	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-2H+Na"	20.974666
"1625709"	189.979166	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Na-2H"	20.974666
"103333"	185.985563	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M-H+Cl"	33.962126
"538520"	270.487813	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M-H+Cl"	33.962126
"937501"	101.483313	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-H+Cl"	33.962126
"277153"	372.978402	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+Cl"	34.969402
"666290"	541.982902	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+Cl"	34.969402
"1278695"	203.973902	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Cl"	34.969402
"16514"	374.957606	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M-2H+K"	36.948606
"455884"	543.962106	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M-2H+K"	36.948606
"836794"	205.953106	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-2H+K"	36.948606
"1557366"	205.953106	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+K-2H"	36.948606
"945243"	214.002694	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-H+HCOOH"	44.998194
"364187"	383.007201	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+HCOOH-H"	44.998201
"348799"	397.022851	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+Hac-H"	59.013851
"1498729"	228.018351	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Hac-H"	59.013851
"961167"	235.984651	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-H+NaCOOH"	66.980151
"116271"	203.973902	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+2Cl"	69.938804
"551822"	288.476152	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+2Cl"	69.938804
"1027912"	119.471652	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2Cl"	69.938804
"1246399"	247.923385	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Br"	78.918885
"1314314"	249.979372	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Cl+HCOOH"	80.974872
"1331811"	271.961329	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Cl+NaCOOH"	102.956829
"921777"	281.990086	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M-H+CF3COOH"	112.985586
"1295203"	317.966764	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Cl+CF3COOH"	148.962264
"1367289"	133.991824	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H-2H2O"	-35.012676
"1385763"	152.0018	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H-H2O"	-17.0027
"284357"	339.016276	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+H"	1.007276
"678602"	508.020776	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+H"	1.007276
"1353130"	170.011776	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H"	1.007276
"127107"	170.011776	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+2H"	2.014552
"567156"	254.514026	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+2H"	2.014552
"1037535"	85.509526	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2H"	2.014552
"205068"	113.676942666667	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+3H"	3.021828
"645123"	170.011776	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+3H"	3.021828
"1165073"	57.3421093333333	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+3H"	3.021828
"426160"	356.042823	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+NH4"	18.033823
"785771"	525.047323	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+NH4"	18.033823
"1681822"	187.038323	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+NH4"	18.033823
"330536"	178.5250495	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+H+NH4"	19.041099
"723324"	263.0272995	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+H+NH4"	19.041099
"1478479"	94.0227995	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H+NH4"	19.041099
"393391"	360.998218	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+Na"	22.989218
"754630"	530.002718	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+Na"	22.989218
"1603337"	191.993718	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Na"	22.989218
"314587"	181.002747	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+H+Na"	23.996494
"709688"	265.504997	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+H+Na"	23.996494
"1462779"	96.500497	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H+Na"	23.996494
"1055296"	64.6694233333333	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2H+Na"	25.00377
"1262443"	202.037986	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+CH3OH+H"	33.033486
"384301"	376.972158	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+K"	38.963158
"752950"	545.976658	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+K"	38.963158
"1542608"	207.967658	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+K"	38.963158
"309992"	188.989717	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+H+K"	39.970434
"694760"	273.491967	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+H+K"	39.970434
"1451862"	104.487467	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H+K"	39.970434
"236091"	380.042826	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+ACN+H"	42.033826
"1210985"	211.038326	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+ACN+H"	42.033826
"1200344"	106.022801	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+ACN+2H"	43.041102
"192123"	382.98016	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+2Na-H"	44.97116
"631684"	551.98466	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+2Na-H"	44.97116
"1134822"	213.97566	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2Na-H"	44.97116
"180669"	191.993718	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+2Na"	45.978436
"614763"	276.495968	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+2Na"	45.978436
"1120454"	107.491468	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2Na"	45.978436
"1401791"	71.9967373333333	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H+2Na"	46.985712
"1430301"	216.017246	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H+HCOOH"	47.012746
"221663"	197.02674	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+3H2O+2H"	56.04448
"1517143"	230.06929	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+IsoProp+H"	61.06479
"408889"	199.980688	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+Na+K"	61.952376
"770201"	284.482938	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+Na+K"	61.952376
"1666865"	115.478438	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Na+K"	61.952376
"251755"	402.024768	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+ACN+Na"	64.015768
"1225678"	233.020268	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+ACN+Na"	64.015768
"1713149"	233.043793	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+NH4+HCOOH"	64.039293
"1178709"	79.3240513333333	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+3Na"	68.967654
"1650098"	237.999188	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Na+HCOOH"	68.994688
"159641"	414.92804	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+2K-H"	76.91904
"599567"	583.93254	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+2K-H"	76.91904
"1088454"	245.92354	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2K-H"	76.91904
"145270"	207.967658	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"2M+2K"	77.926316
"583740"	292.469908	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"3M+2K"	77.926316
"1071531"	123.465408	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2K"	77.926316
"1101097"	247.938092	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2K+H"	78.933592
"1337850"	248.025707	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+DMSO+H"	79.021207
"1007106"	252.064876	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2ACN+H"	83.060376
"1531067"	253.058508	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+IsoProp+Na+H"	84.054008
"1002989"	126.536076	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+2ACN+2H"	84.067652
"1601504"	253.973128	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+K+HCOOH"	84.968628
"1424244"	284.004638	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+H+CF3COOH"	115.000138
"1161095"	147.049351	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+3ACN+2H"	125.094202
"1710647"	301.031185	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+NH4+CF3COOH"	132.026685
"1646296"	305.98658	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+Na+CF3COOH"	136.98208
"1580857"	321.96052	"C00506"	"L-Cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid"	"C3H7NO5S"	"169.0045"	"M+K+CF3COOH"	152.95602
"804660"	164.0685	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M"	0
"986579"	145.05011	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"69716"	108.371724	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"513655"	163.061224	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"892553"	53.682224	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"8943"	163.061224	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"445221"	245.095474	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"827399"	81.026974	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"82287"	327.129724	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"524765"	491.198224	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"899650"	163.061224	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"48555"	344.156271	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"489939"	508.224771	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"866648"	180.087771	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"31533"	349.111666	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"478484"	513.180166	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"855194"	185.043166	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1621448"	185.043166	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"100163"	181.049563	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"540815"	263.083813	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"935425"	99.015313	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"276899"	363.106402	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"668587"	527.174902	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1273823"	199.037902	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"15833"	365.085606	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"455733"	529.154106	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"833742"	201.017106	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1557108"	201.017106	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"944260"	209.066694	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"363566"	373.135201	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"347816"	387.150851	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1499932"	223.082351	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"962003"	231.048651	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"112369"	199.037902	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"555212"	281.072152	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1024378"	117.003652	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1245050"	242.987385	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1312237"	245.043372	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1330827"	267.025329	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"920792"	277.054086	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1291302"	313.030764	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1370565"	129.055824	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1386969"	147.0658	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"284467"	329.144276	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"679808"	493.212776	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1356156"	165.075776	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"127951"	165.075776	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"570796"	247.110026	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1039595"	83.041526	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"205425"	110.386276	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"648153"	165.075776	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1164453"	55.696776	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"431738"	346.170823	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"789452"	510.239323	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1681891"	182.102323	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"330408"	173.5890495	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"724285"	255.6232995	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1478471"	91.5547995	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"394601"	351.126218	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"757786"	515.194718	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1605883"	187.057718	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"317013"	176.066747	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"709436"	258.100997	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1465442"	94.032497	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1056865"	63.02409	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1262554"	197.101986	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"384412"	367.100158	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"749780"	531.168658	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1543450"	203.031658	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"307917"	184.053717	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"700339"	266.087967	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1453066"	102.019467	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"236565"	370.170826	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1211824"	206.102326	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1198265"	103.554801	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"195513"	373.10816	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"631794"	537.17666	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1132384"	209.03966	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"175312"	187.057718	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"615967"	269.091968	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1119472"	105.023468	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1398863"	70.351404	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1430858"	211.081246	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"223718"	192.09074	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1520533"	225.13329	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"414752"	195.044688	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"773559"	277.078938	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1672080"	113.010438	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"257506"	392.152768	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1231306"	228.084268	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1715092"	228.107793	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1178578"	77.678718	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1650175"	233.063188	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"158292"	405.05604	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"600046"	569.12454	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1087472"	240.98754	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"143562"	203.031658	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"584213"	285.065908	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1070180"	120.997408	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1101329"	243.002092	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1337960"	243.089707	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1007581"	247.128876	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1533364"	248.122508	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1000915"	124.068076	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1597604"	249.037128	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1424356"	279.068638	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1160112"	144.581351	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1711850"	296.095185	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1643126"	301.05058	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1574404"	317.02452	"C00507"	"L-Rhamnose;6-Deoxy-L-mannose;L-Mannomethylose;L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"801854"	150.0528	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M"	0
"986689"	131.03441	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"67640"	99.027924	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"517045"	149.045524	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"891570"	49.010324	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"7960"	149.045524	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"444238"	224.071924	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"826416"	74.019124	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"82397"	299.098324	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"524875"	449.151124	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"899760"	149.045524	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"49759"	316.124871	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"490049"	466.177671	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"868944"	166.072071	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"32955"	321.080266	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"477501"	471.133066	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"852022"	171.027466	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1622651"	171.027466	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"99179"	167.033863	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"538009"	242.060263	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"933348"	92.007463	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"277372"	335.075002	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"665417"	485.127802	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1273812"	185.022202	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"15917"	337.054206	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"456533"	487.107006	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"834826"	187.001406	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1556490"	187.001406	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"944369"	195.050994	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"363310"	345.103801	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"349384"	359.119451	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1498948"	209.066651	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"961021"	217.032951	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"112116"	185.022202	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"554230"	260.048602	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1024123"	109.995802	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1245525"	228.971685	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1314534"	231.027672	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1329844"	253.009629	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"919809"	263.038386	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1291416"	299.015064	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1367394"	115.040124	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1385620"	133.0501	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"284577"	301.112876	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"675726"	451.165676	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1352617"	151.060076	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"128058"	151.060076	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"567255"	226.086476	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1042984"	76.033676	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"207238"	101.042476	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"648263"	151.060076	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1163349"	51.024876	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"431848"	318.139423	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"789562"	468.192223	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1682003"	168.086623	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"330152"	159.5733495	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"724398"	234.5997495	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1477732"	84.5469495	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"397992"	323.094818	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"758989"	473.147618	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1606358"	173.042018	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"319310"	162.051047	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"711732"	237.077447	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1466645"	87.024647	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1056611"	58.35219	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1260477"	183.086286	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"383429"	339.068758	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"748798"	489.121558	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1546477"	189.015958	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"306933"	170.038017	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"702636"	245.064417	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1452083"	95.011617	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"237282"	342.139426	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1212299"	192.086626	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1199468"	96.546951	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"193434"	345.07676	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"630081"	495.12956	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1132494"	195.02396	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"175422"	173.042018	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"623731"	248.068418	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1122862"	98.015618	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1400918"	65.679504	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1431089"	197.065546	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"224921"	178.07504	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1511892"	211.11759	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"411581"	181.028988	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"774763"	256.055388	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1666843"	106.002588	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"253607"	364.121368	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1230324"	214.068568	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1717020"	214.092093	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1178497"	73.006818	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1651170"	219.047488	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"158275"	377.02464	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"601978"	527.07744	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1085760"	226.97184	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"143306"	189.015958	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"582866"	264.042358	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1070655"	113.989558	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1100587"	228.986392	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1336977"	229.074007	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1008055"	233.113176	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1534567"	234.106808	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"999930"	117.060226	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1599536"	235.021428	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1424466"	265.052938	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1160222"	137.573501	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1711960"	282.079485	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1643236"	287.03488	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1577794"	303.00882	"C00508"	"L-Ribulose;L-erythro-Pentulose;L-Arabinoketose;L-Arabinulose;L-Riboketose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"804880"	272.0685	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M"	0
"986070"	253.05011	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"66657"	180.371724	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"517156"	271.061224	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"890588"	89.682224	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"11353"	271.061224	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"443256"	407.095474	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"825433"	135.026974	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"80685"	543.129724	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"523892"	815.198224	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"899506"	271.061224	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"48897"	560.156271	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"489066"	832.224771	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"872336"	288.087771	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"35864"	565.111666	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"476518"	837.180166	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"853226"	293.043166	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1620574"	293.043166	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"99289"	289.049563	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"538849"	425.083813	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"933458"	153.015313	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"274202"	579.106402	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"665527"	851.174902	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1274043"	307.037902	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"16472"	581.085606	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"456522"	853.154106	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"835665"	309.017106	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1556966"	309.017106	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"944840"	317.066694	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"363420"	589.135201	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"349129"	603.150851	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1495410"	331.082351	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"961858"	339.048651	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"114045"	307.037902	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"553244"	443.072152	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1024233"	171.003652	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1243568"	350.987385	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1314644"	353.043372	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1329954"	375.025329	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"919918"	385.054086	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1291890"	421.030764	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1369691"	237.055824	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1386824"	255.0658	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"286510"	545.144276	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"678199"	817.212776	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1351871"	273.075776	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"127805"	273.075776	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"567001"	409.110026	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1043094"	137.041526	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"206619"	182.386276	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"645091"	273.075776	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1165404"	91.696776	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"431959"	562.170823	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"788579"	834.239323	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1682598"	290.102323	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"330060"	281.5890495	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"724143"	417.6232995	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1477721"	145.5547995	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"400289"	567.126218	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"761286"	839.194718	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1607197"	295.057718	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"316505"	284.066747	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"711113"	420.100997	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1466755"	148.032497	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1056356"	99.02409	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1259494"	305.101986	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"385725"	583.100158	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"750001"	855.168658	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1546587"	311.031658	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"308136"	292.053717	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"702746"	428.087967	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1454378"	156.019467	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"237026"	586.170826	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1212773"	314.102326	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1196662"	157.554801	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"189532"	589.10816	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"631646"	861.17666	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1134426"	317.03966	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"174802"	295.057718	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"622748"	431.091968	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1121879"	159.023468	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1400053"	106.351404	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1431441"	319.081246	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"225031"	300.09074	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1515282"	333.13329	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"417159"	303.044688	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"775967"	439.078938	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1667924"	167.010438	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"255539"	608.152768	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1228248"	336.084268	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1717130"	336.107793	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1179571"	113.678718	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1652375"	341.063188	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"159964"	621.05604	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"602088"	893.12454	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1086598"	348.98754	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"145605"	311.031658	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"583703"	447.065908	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1070765"	174.997408	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1102154"	351.002092	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1337329"	351.089707	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1007799"	355.128876	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1531397"	356.122508	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"998949"	178.068076	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1596731"	357.037128	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1426763"	387.068638	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1161427"	198.581351	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1711952"	404.095185	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1643346"	409.05058	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1577904"	425.02452	"C00509"	"Naringenin;457-Trihydroxyflavanone;(2S)-Naringenin;(-)-(2S)-Naringenin"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"802802"	1031.3605	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M"	0
"986180"	1012.34211	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H2O-H"	-19.01839
"67860"	686.566390666667	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-3H"	-3.021828
"511795"	1030.353224	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-3H"	-3.021828
"890698"	342.779557333333	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-3H"	-3.021828
"12556"	1030.353224	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H"	-2.014552
"444459"	1546.033474	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H"	-2.014552
"825543"	514.672974	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H"	-2.014552
"80795"	2061.713724	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-H"	-1.007276
"524002"	3093.074224	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-H"	-1.007276
"901803"	1030.353224	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H"	-1.007276
"50709"	2078.740271	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H+NH4"	16.019271
"491364"	3110.100771	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H+NH4"	16.019271
"865641"	1047.379771	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H+NH4"	16.019271
"38162"	2083.695666	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H+Na"	20.974666
"477721"	3115.056166	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H+Na"	20.974666
"852243"	1052.335166	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H+Na"	20.974666
"1623964"	1052.335166	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na-2H"	20.974666
"99399"	1048.341563	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-H+Cl"	33.962126
"537864"	1564.021813	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-H+Cl"	33.962126
"931381"	532.661313	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+Cl"	33.962126
"271395"	2097.690402	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Cl"	34.969402
"664909"	3129.050902	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+Cl"	34.969402
"1273669"	1066.329902	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl"	34.969402
"15896"	2099.669606	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H+K"	36.948606
"456146"	3131.030106	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H+K"	36.948606
"835045"	1068.309106	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H+K"	36.948606
"1556711"	1068.309106	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K-2H"	36.948606
"943370"	1076.358694	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+HCOOH"	44.998194
"362315"	2107.719201	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+HCOOH-H"	44.998201
"348510"	2121.734851	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Hac-H"	59.013851
"1496981"	1090.374351	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Hac-H"	59.013851
"962333"	1098.340651	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+NaCOOH"	66.980151
"113430"	1066.329902	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2Cl"	69.938804
"554449"	1582.010152	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2Cl"	69.938804
"1028355"	550.649652	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2Cl"	69.938804
"1243921"	1110.279385	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Br"	78.918885
"1314754"	1112.335372	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl+HCOOH"	80.974872
"1330063"	1134.317329	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl+NaCOOH"	102.956829
"918934"	1144.346086	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+CF3COOH"	112.985586
"1292000"	1180.322764	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl+CF3COOH"	148.962264
"1369797"	996.347824	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H-2H2O"	-35.012676
"1386934"	1014.3578	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H-H2O"	-17.0027
"286620"	2063.728276	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H"	1.007276
"675999"	3095.088776	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H"	1.007276
"1352227"	1032.367776	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H"	1.007276
"129008"	1032.367776	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2H"	2.014552
"566868"	1548.048026	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2H"	2.014552
"1046484"	516.687526	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2H"	2.014552
"206729"	688.580942666667	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+3H"	3.021828
"645443"	1032.367776	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+3H"	3.021828
"1167700"	344.794109333333	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+3H"	3.021828
"432068"	2080.754823	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+NH4"	18.033823
"788689"	3112.115323	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+NH4"	18.033823
"1682344"	1049.394323	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+NH4"	18.033823
"330169"	1040.8810495	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H+NH4"	19.041099
"723159"	1556.5612995	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H+NH4"	19.041099
"1477710"	525.2007995	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+NH4"	19.041099
"400400"	2085.710218	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Na"	22.989218
"760302"	3117.070718	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+Na"	22.989218
"1607306"	1054.349718	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na"	22.989218
"317344"	1043.358747	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H+Na"	23.996494
"711952"	1559.038997	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H+Na"	23.996494
"1467959"	527.678497	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+Na"	23.996494
"1057195"	352.121423333333	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2H+Na"	25.00377
"1262885"	1064.393986	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+CH3OH+H"	33.033486
"388021"	2101.684158	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+K"	38.963158
"753026"	3133.044658	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+K"	38.963158
"1549977"	1070.323658	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K"	38.963158
"309339"	1051.345717	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H+K"	39.970434
"702854"	1567.025967	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H+K"	39.970434
"1457404"	535.665467	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+K"	39.970434
"240903"	2104.754826	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+ACN+H"	42.033826
"1213610"	1073.394326	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+ACN+H"	42.033826
"1195677"	537.200801	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+ACN+2H"	43.041102
"190002"	2107.69216	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2Na-H"	44.97116
"630293"	3139.05266	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2Na-H"	44.97116
"1133435"	1076.33166	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2Na-H"	44.97116
"174669"	1054.349718	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2Na"	45.978436
"618483"	1570.029968	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2Na"	45.978436
"1118707"	538.669468	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2Na"	45.978436
"1401134"	359.448737333333	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+2Na"	46.985712
"1430577"	1078.373246	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+HCOOH"	47.012746
"226234"	1059.38274	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+3H2O+2H"	56.04448
"1515392"	1092.42529	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+IsoProp+H"	61.06479
"413989"	1062.336688	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Na+K"	61.952376
"776076"	1578.016938	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+Na+K"	61.952376
"1669127"	546.656438	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na+K"	61.952376
"256743"	2126.736768	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+ACN+Na"	64.015768
"1229451"	1095.376268	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+ACN+Na"	64.015768
"1716147"	1095.399793	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+NH4+HCOOH"	64.039293
"1180412"	366.776051333333	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+3Na"	68.967654
"1651027"	1100.355188	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na+HCOOH"	68.994688
"158861"	2139.64004	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2K-H"	76.91904
"601105"	3171.00054	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2K-H"	76.91904
"1087072"	1108.27954	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2K-H"	76.91904
"145715"	1070.323658	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2K"	77.926316
"584542"	1586.003908	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2K"	77.926316
"1070147"	554.643408	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2K"	77.926316
"1102387"	1110.294092	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2K+H"	78.933592
"1337439"	1110.381707	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+DMSO+H"	79.021207
"1008273"	1114.420876	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2ACN+H"	83.060376
"1530414"	1115.414508	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+IsoProp+Na+H"	84.054008
"1001244"	557.714076	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2ACN+2H"	84.067652
"1596841"	1116.329128	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K+HCOOH"	84.968628
"1426873"	1146.360638	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+CF3COOH"	115.000138
"1161172"	578.227351	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+3ACN+2H"	125.094202
"1711817"	1163.387185	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+NH4+CF3COOH"	132.026685
"1643456"	1168.34258	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na+CF3COOH"	136.98208
"1578014"	1184.31652	"C00510"	"Oleoyl-CoA;(9Z)-Octadecenoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K+CF3COOH"	152.95602
"805100"	72.0211	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M"	0
"987383"	53.00271	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-H2O-H"	-19.01839
"66877"	47.0067906666667	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M-3H"	-3.021828
"511905"	71.013824	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M-3H"	-3.021828
"891902"	22.9997573333333	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-3H"	-3.021828
"13759"	71.013824	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M-2H"	-2.014552
"450042"	107.024374	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M-2H"	-2.014552
"826747"	35.003274	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-2H"	-2.014552
"87834"	143.034924	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M-H"	-1.007276
"524113"	215.056024	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M-H"	-1.007276
"901916"	71.013824	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-H"	-1.007276
"56288"	160.061471	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M-2H+NH4"	16.019271
"491478"	232.082571	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M-2H+NH4"	16.019271
"875841"	88.040371	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-2H+NH4"	16.019271
"43742"	165.016866	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M-2H+Na"	20.974666
"480019"	237.037966	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M-2H+Na"	20.974666
"853446"	92.995766	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-2H+Na"	20.974666
"1620792"	92.995766	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Na-2H"	20.974666
"101697"	89.002163	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M-H+Cl"	33.962126
"535180"	125.012713	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M-H+Cl"	33.962126
"930760"	52.991613	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-H+Cl"	33.962126
"270047"	179.011602	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+Cl"	34.969402
"664654"	251.032702	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+Cl"	34.969402
"1278153"	106.990502	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Cl"	34.969402
"21076"	180.990806	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M-2H+K"	36.948606
"461729"	253.011906	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M-2H+K"	36.948606
"833698"	108.969706	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-2H+K"	36.948606
"1559373"	108.969706	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+K-2H"	36.948606
"943242"	117.019294	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-H+HCOOH"	44.998194
"362184"	189.040401	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+HCOOH-H"	44.998201
"346550"	203.056051	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+Hac-H"	59.013851
"1497818"	131.034951	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Hac-H"	59.013851
"960255"	139.001251	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-H+NaCOOH"	66.980151
"115362"	106.990502	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+2Cl"	69.938804
"554559"	143.001052	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+2Cl"	69.938804
"1026641"	70.979952	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2Cl"	69.938804
"1247677"	150.939985	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Br"	78.918885
"1309031"	152.995972	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Cl+HCOOH"	80.974872
"1322152"	174.977929	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Cl+NaCOOH"	102.956829
"917951"	185.006686	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M-H+CF3COOH"	112.985586
"1290286"	220.983364	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Cl+CF3COOH"	148.962264
"1367352"	37.008424	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H-2H2O"	-35.012676
"1389232"	55.0184	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H-H2O"	-17.0027
"285638"	145.049476	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+H"	1.007276
"675868"	217.070576	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+H"	1.007276
"1353311"	73.028376	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H"	1.007276
"128390"	73.028376	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+2H"	2.014552
"567342"	109.038926	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+2H"	2.014552
"1046595"	37.017826	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2H"	2.014552
"209026"	49.0213426666667	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+3H"	3.021828
"645675"	73.028376	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+3H"	3.021828
"1167811"	25.0143093333333	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+3H"	3.021828
"432178"	162.076023	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+NH4"	18.033823
"788799"	234.097123	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+NH4"	18.033823
"1684034"	90.054923	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+NH4"	18.033823
"331217"	81.5416495	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+H+NH4"	19.041099
"725824"	117.5521995	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+H+NH4"	19.041099
"1477940"	45.5310995	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H+NH4"	19.041099
"399418"	167.031418	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+Na"	22.989218
"764785"	239.052518	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+Na"	22.989218
"1608510"	95.010318	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Na"	22.989218
"317455"	84.019347	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+H+Na"	23.996494
"713156"	120.029897	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+H+Na"	23.996494
"1471349"	48.008797	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H+Na"	23.996494
"1060221"	32.3416233333333	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2H+Na"	25.00377
"1266276"	105.054586	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+CH3OH+H"	33.033486
"388131"	183.005358	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+K"	38.963158
"749127"	255.026458	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+K"	38.963158
"1548994"	110.984258	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+K"	38.963158
"306169"	92.006317	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+H+K"	39.970434
"698590"	128.016867	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+H+K"	39.970434
"1456421"	55.995767	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H+K"	39.970434
"242107"	186.076026	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+ACN+H"	42.033826
"1212991"	114.054926	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+ACN+H"	42.033826
"1197970"	57.531101	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+ACN+2H"	43.041102
"188850"	189.01336	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+2Na-H"	44.97116
"629309"	261.03446	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+2Na-H"	44.97116
"1132087"	116.99226	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2Na-H"	44.97116
"173197"	95.010318	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+2Na"	45.978436
"615312"	131.020868	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+2Na"	45.978436
"1117723"	58.999768	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2Na"	45.978436
"1399420"	39.6689373333333	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H+2Na"	46.985712
"1430123"	119.033846	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H+HCOOH"	47.012746
"220870"	100.04334	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+3H2O+2H"	56.04448
"1514409"	133.08589	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+IsoProp+H"	61.06479
"416284"	102.997288	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+Na+K"	61.952376
"774364"	139.007838	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+Na+K"	61.952376
"1669238"	66.986738	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Na+K"	61.952376
"256852"	208.057968	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+ACN+Na"	64.015768
"1229559"	136.036868	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+ACN+Na"	64.015768
"1715160"	136.060393	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+NH4+HCOOH"	64.039293
"1180522"	46.9962513333333	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+3Na"	68.967654
"1651259"	141.015788	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Na+HCOOH"	68.994688
"158485"	220.96124	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+2K-H"	76.91904
"600120"	292.98234	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+2K-H"	76.91904
"1086818"	148.94014	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2K-H"	76.91904
"145093"	110.984258	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"2M+2K"	77.926316
"584288"	146.994808	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"3M+2K"	77.926316
"1069528"	74.973708	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2K"	77.926316
"1103469"	150.954692	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2K+H"	78.933592
"1338035"	151.042307	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+DMSO+H"	79.021207
"1008748"	155.081476	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2ACN+H"	83.060376
"1529431"	156.075108	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+IsoProp+Na+H"	84.054008
"1000261"	78.044376	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+2ACN+2H"	84.067652
"1598046"	156.989728	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+K+HCOOH"	84.968628
"1429170"	187.021238	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+H+CF3COOH"	115.000138
"1159461"	98.557651	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+3ACN+2H"	125.094202
"1711198"	204.047785	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+NH4+CF3COOH"	132.026685
"1643566"	209.00318	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+Na+CF3COOH"	136.98208
"1578124"	224.97712	"C00511"	"Acrylic acid;Propenoate;Acrylate;2-Propenoic acid;Vinylformic acid"	"C3H4O2"	"72.0211"	"M+K+CF3COOH"	152.95602
"801930"	871.1414	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M"	0
"986400"	852.12301	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-H2O-H"	-19.01839
"73548"	579.753657333333	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M-3H"	-3.021828
"514207"	870.134124	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M-3H"	-3.021828
"892012"	289.373190666667	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-3H"	-3.021828
"4025"	870.134124	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M-2H"	-2.014552
"450879"	1305.704824	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M-2H"	-2.014552
"824671"	434.563424	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-2H"	-2.014552
"87945"	1741.275524	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M-H"	-1.007276
"526411"	2612.416924	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M-H"	-1.007276
"904216"	870.134124	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-H"	-1.007276
"55310"	1758.302071	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M-2H+NH4"	16.019271
"500338"	2629.443471	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M-2H+NH4"	16.019271
"877778"	887.160671	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-2H+NH4"	16.019271
"43855"	1763.257466	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M-2H+Na"	20.974666
"481226"	2634.398866	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M-2H+Na"	20.974666
"854650"	892.116066	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-2H+Na"	20.974666
"1623089"	892.116066	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Na-2H"	20.974666
"99621"	888.122463	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M-H+Cl"	33.962126
"539180"	1323.693163	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M-H+Cl"	33.962126
"931965"	452.551763	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-H+Cl"	33.962126
"275628"	1777.252202	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+Cl"	34.969402
"666589"	2648.393602	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+Cl"	34.969402
"1276441"	906.110802	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Cl"	34.969402
"22279"	1779.231406	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M-2H+K"	36.948606
"459653"	2650.372806	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M-2H+K"	36.948606
"837454"	908.090006	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-2H+K"	36.948606
"1559485"	908.090006	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+K-2H"	36.948606
"943024"	916.139594	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-H+HCOOH"	44.998194
"364850"	1787.281001	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+HCOOH-H"	44.998201
"347275"	1801.296651	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+Hac-H"	59.013851
"1495014"	930.155251	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Hac-H"	59.013851
"962921"	938.121551	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-H+NaCOOH"	66.980151
"116932"	906.110802	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+2Cl"	69.938804
"556859"	1341.681502	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+2Cl"	69.938804
"1031855"	470.540102	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2Cl"	69.938804
"1247060"	950.060285	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Br"	78.918885
"1309507"	952.116272	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Cl+HCOOH"	80.974872
"1322019"	974.098229	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Cl+NaCOOH"	102.956829
"914050"	984.126986	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M-H+CF3COOH"	112.985586
"1290638"	1020.103664	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Cl+CF3COOH"	148.962264
"1367584"	836.128724	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H-2H2O"	-35.012676
"1388249"	854.1387	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H-H2O"	-17.0027
"289029"	1743.290076	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+H"	1.007276
"676828"	2614.431476	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+H"	1.007276
"1355245"	872.148676	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H"	1.007276
"131780"	872.148676	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+2H"	2.014552
"571341"	1307.719376	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+2H"	2.014552
"1046703"	436.577976	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2H"	2.014552
"213510"	581.768209333333	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+3H"	3.021828
"647604"	872.148676	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+3H"	3.021828
"1165733"	291.387742666667	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+3H"	3.021828
"431195"	1760.316623	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+NH4"	18.033823
"788909"	2631.458023	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+NH4"	18.033823
"1683053"	889.175223	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+NH4"	18.033823
"332421"	880.6619495	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+H+NH4"	19.041099
"724839"	1316.2326495	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+H+NH4"	19.041099
"1479753"	445.0912495	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H+NH4"	19.041099
"399526"	1765.272018	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+Na"	22.989218
"761616"	2636.413418	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+Na"	22.989218
"1607528"	894.130618	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Na"	22.989218
"318657"	883.139647	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+H+Na"	23.996494
"712175"	1318.710347	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+H+Na"	23.996494
"1467089"	447.568947	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H+Na"	23.996494
"1059240"	298.715056666667	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2H+Na"	25.00377
"1263106"	904.174886	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+CH3OH+H"	33.033486
"386057"	1781.245958	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+K"	38.963158
"747053"	2652.387358	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+K"	38.963158
"1549105"	910.104558	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+K"	38.963158
"307375"	891.126617	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+H+K"	39.970434
"695058"	1326.697317	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+H+K"	39.970434
"1455805"	455.555917	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H+K"	39.970434
"243312"	1784.316626	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+ACN+H"	42.033826
"1218206"	913.175226	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+ACN+H"	42.033826
"1196983"	457.091251	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+ACN+2H"	43.041102
"190948"	1787.25396	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+2Na-H"	44.97116
"630509"	2658.39536	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+2Na-H"	44.97116
"1134026"	916.11256	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2Na-H"	44.97116
"174034"	894.130618	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+2Na"	45.978436
"615787"	1329.701318	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+2Na"	45.978436
"1116372"	458.559918	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2Na"	45.978436
"1407920"	306.042370666667	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H+2Na"	46.985712
"1431654"	918.154146	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H+HCOOH"	47.012746
"221223"	899.16364	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+3H2O+2H"	56.04448
"1512333"	932.20619	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+IsoProp+H"	61.06479
"414208"	902.117588	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+Na+K"	61.952376
"776297"	1337.688288	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+Na+K"	61.952376
"1675908"	466.546888	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Na+K"	61.952376
"259149"	1806.298568	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+ACN+Na"	64.015768
"1228576"	935.157168	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+ACN+Na"	64.015768
"1714546"	935.180693	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+NH4+HCOOH"	64.039293
"1180632"	313.369684666667	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+3Na"	68.967654
"1650399"	940.136088	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Na+HCOOH"	68.994688
"158476"	1819.20184	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+2K-H"	76.91904
"599866"	2690.34324	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+2K-H"	76.91904
"1086199"	948.06044	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2K-H"	76.91904
"143747"	910.104558	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"2M+2K"	77.926316
"582939"	1345.675258	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"3M+2K"	77.926316
"1071828"	474.533858	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2K"	77.926316
"1101393"	950.074992	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2K+H"	78.933592
"1336687"	950.162607	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+DMSO+H"	79.021207
"1006795"	954.201776	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2ACN+H"	83.060376
"1529541"	955.195408	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+IsoProp+Na+H"	84.054008
"1001458"	477.604526	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+2ACN+2H"	84.067652
"1597058"	956.110028	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+K+HCOOH"	84.968628
"1425999"	986.141538	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+H+CF3COOH"	115.000138
"1155193"	498.117801	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+3ACN+2H"	125.094202
"1711306"	1003.168085	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+NH4+CF3COOH"	132.026685
"1640395"	1008.12348	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+Na+CF3COOH"	136.98208
"1578234"	1024.09742	"C00512"	"S-Benzoate coenzyme A;Benzoyl-CoA"	"C28H40N7O17P3S"	"871.1414"	"M+K+CF3COOH"	152.95602
"814070"	477.055	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M"	0
"987608"	458.03661	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-H2O-H"	-19.01839
"76944"	317.029390666667	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M-3H"	-3.021828
"511039"	476.047724	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M-3H"	-3.021828
"891027"	158.011057333333	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-3H"	-3.021828
"5229"	476.047724	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M-2H"	-2.014552
"454640"	714.575224	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M-2H"	-2.014552
"825876"	237.520224	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-2H"	-2.014552
"92919"	953.102724	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M-H"	-1.007276
"528710"	1430.157724	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M-H"	-1.007276
"903232"	476.047724	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-H"	-1.007276
"55420"	970.129271	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M-2H+NH4"	16.019271
"493884"	1447.184271	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M-2H+NH4"	16.019271
"873875"	493.074271	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-2H+NH4"	16.019271
"45544"	975.084666	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M-2H+Na"	20.974666
"483523"	1452.139666	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M-2H+Na"	20.974666
"855856"	498.029666	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-2H+Na"	20.974666
"1624297"	498.029666	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Na-2H"	20.974666
"108360"	494.036063	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M-H+Cl"	33.962126
"545855"	732.563563	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M-H+Cl"	33.962126
"936089"	255.508563	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-H+Cl"	33.962126
"272823"	989.079402	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+Cl"	34.969402
"670348"	1466.134402	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+Cl"	34.969402
"1284938"	512.024402	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Cl"	34.969402
"23847"	991.058606	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M-2H+K"	36.948606
"460127"	1468.113606	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M-2H+K"	36.948606
"837204"	514.003606	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-2H+K"	36.948606
"1560689"	514.003606	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+K-2H"	36.948606
"944923"	522.053194	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-H+HCOOH"	44.998194
"364961"	999.108201	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+HCOOH-H"	44.998201
"349210"	1013.123851	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+Hac-H"	59.013851
"1494762"	536.068851	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Hac-H"	59.013851
"960845"	544.035151	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-H+NaCOOH"	66.980151
"111939"	512.024402	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+2Cl"	69.938804
"558794"	750.551902	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+2Cl"	69.938804
"1025041"	273.496902	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2Cl"	69.938804
"1245715"	555.973885	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Br"	78.918885
"1309620"	558.029872	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Cl+HCOOH"	80.974872
"1327482"	580.011829	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Cl+NaCOOH"	102.956829
"916718"	590.040586	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M-H+CF3COOH"	112.985586
"1290266"	626.017264	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Cl+CF3COOH"	148.962264
"1380704"	442.042324	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H-2H2O"	-35.012676
"1391640"	460.0523	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H-H2O"	-17.0027
"294608"	955.117276	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+H"	1.007276
"683750"	1432.172276	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+H"	1.007276
"1355725"	478.062276	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H"	1.007276
"136270"	478.062276	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+2H"	2.014552
"575830"	716.589776	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+2H"	2.014552
"1047910"	239.534776	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2H"	2.014552
"213624"	319.043942666667	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+3H"	3.021828
"653187"	478.062276	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+3H"	3.021828
"1168030"	160.025609333333	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+3H"	3.021828
"432399"	972.143823	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+NH4"	18.033823
"798862"	1449.198823	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+NH4"	18.033823
"1687535"	495.088823	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+NH4"	18.033823
"338000"	486.5755495	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+H+NH4"	19.041099
"726046"	725.1030495	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+H+NH4"	19.041099
"1483146"	248.0480495	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H+NH4"	19.041099
"398543"	977.099218	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+Na"	22.989218
"759542"	1454.154218	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+Na"	22.989218
"1607639"	500.044218	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Na"	22.989218
"317678"	489.053247	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+H+Na"	23.996494
"710100"	727.580747	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+H+Na"	23.996494
"1465014"	250.525747	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H+Na"	23.996494
"1060448"	167.352923333333	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2H+Na"	25.00377
"1264315"	510.088486	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+CH3OH+H"	33.033486
"387262"	993.073158	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+K"	38.963158
"744980"	1470.128158	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+K"	38.963158
"1552499"	516.018158	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+K"	38.963158
"309674"	497.040217	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+H+K"	39.970434
"699909"	735.567717	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+H+K"	39.970434
"1449717"	258.512717	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H+K"	39.970434
"248892"	996.143826	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+ACN+H"	42.033826
"1214305"	519.088826	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+ACN+H"	42.033826
"1196008"	260.048051	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+ACN+2H"	43.041102
"190336"	999.08116	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+2Na-H"	44.97116
"632454"	1476.13616	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+2Na-H"	44.97116
"1135962"	522.02616	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2Na-H"	44.97116
"178159"	500.044218	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+2Na"	45.978436
"618451"	738.571718	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+2Na"	45.978436
"1122687"	261.516718	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2Na"	45.978436
"1406574"	174.680237333333	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H+2Na"	46.985712
"1432494"	524.067746	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H+HCOOH"	47.012746
"228757"	505.07724	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+3H2O+2H"	56.04448
"1522287"	538.11979	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+IsoProp+H"	61.06479
"415412"	508.031188	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+Na+K"	61.952376
"785403"	746.558688	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+Na+K"	61.952376
"1676019"	269.503688	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Na+K"	61.952376
"265820"	1018.125768	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+ACN+Na"	64.015768
"1237436"	541.070768	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+ACN+Na"	64.015768
"1718668"	541.094293	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+NH4+HCOOH"	64.039293
"1186213"	182.007551333333	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+3Na"	68.967654
"1654283"	546.049688	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Na+HCOOH"	68.994688
"166249"	1031.02904	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+2K-H"	76.91904
"606904"	1508.08404	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+2K-H"	76.91904
"1089966"	553.97404	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2K-H"	76.91904
"151518"	516.018158	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"2M+2K"	77.926316
"590351"	754.545658	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"3M+2K"	77.926316
"1071223"	277.490658	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2K"	77.926316
"1108799"	555.988592	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2K+H"	78.933592
"1341910"	556.076207	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+DMSO+H"	79.021207
"1013717"	560.115376	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2ACN+H"	83.060376
"1531844"	561.109008	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+IsoProp+Na+H"	84.054008
"1000476"	280.561326	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+2ACN+2H"	84.067652
"1598260"	562.023628	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+K+HCOOH"	84.968628
"1420642"	592.055138	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+H+CF3COOH"	115.000138
"1152023"	301.074601	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+3ACN+2H"	125.094202
"1709229"	609.081685	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+NH4+CF3COOH"	132.026685
"1638318"	614.03708	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+Na+CF3COOH"	136.98208
"1573240"	630.01102	"C00513"	"CDP-glycerol"	"C12H21N3O13P2"	"477.055"	"M+K+CF3COOH"	152.95602
"805429"	196.0583	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M"	0
"985526"	177.03991	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"78563"	129.698257333333	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"516613"	195.051024	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"891134"	64.3454906666667	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"8619"	195.051024	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"454992"	293.080174	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"830361"	97.021874	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"92299"	391.109324	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"528821"	587.167624	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"907716"	195.051024	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"60635"	408.135871	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"493997"	604.194171	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"875079"	212.077571	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"45048"	413.091266	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"484607"	609.149566	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"857059"	217.032966	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1629875"	217.032966	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"100936"	213.039363	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"544871"	311.068513	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"935105"	115.010213	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"278036"	427.086002	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"672282"	623.144302	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1285045"	231.027702	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"26510"	429.065206	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"460601"	625.123506	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"838407"	233.006906	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1560435"	233.006906	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"948314"	241.056494	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"366168"	437.114801	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"350413"	451.130451	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1495601"	255.072151	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"963873"	263.038451	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"116791"	231.027702	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"557080"	329.056852	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1026242"	132.998552	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1245093"	274.977185	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1305716"	277.033172	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1325403"	299.015129	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"911842"	309.043886	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1290620"	345.020564	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1377534"	161.045624	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1391750"	179.0556	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"294718"	393.123876	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"686046"	589.182176	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1360207"	197.065576	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"137472"	197.065576	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"575940"	295.094726	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1048019"	99.036426	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"214827"	131.712809333333	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"653296"	197.065576	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1172510"	66.3600426666667	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"432509"	410.150423	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"798973"	606.208723	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1688739"	214.092123	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"335923"	205.5788495	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"725427"	303.6079995	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1482163"	107.5496995	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"398654"	415.105818	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"759652"	611.164118	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1609936"	219.047518	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"321068"	208.056547	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"712397"	306.085697	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1467311"	110.027397	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1060559"	73.6873566666667	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1266611"	229.091786	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"390654"	431.079758	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"748370"	627.138058	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1555288"	235.021458	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"310879"	216.043517	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"701113"	314.072667	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1452745"	118.014367	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"247545"	434.150426	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1214053"	238.092126	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1195388"	119.549701	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"189232"	437.08776	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"631470"	633.14606	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1136072"	241.02946	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"178269"	219.047518	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"616008"	317.076668	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1124253"	121.018368	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1406319"	81.0146706666667	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1433333"	243.071046	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"225582"	224.08054	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1516929"	257.12309	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"414428"	227.034488	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"783079"	325.063638	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1676129"	129.005338	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"262650"	456.132368	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1235359"	260.074068	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1716956"	260.097593	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1184136"	88.3419846666667	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1651476"	265.052988	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"164172"	469.03564	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"603734"	665.09394	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1091533"	272.97734	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"152357"	235.021458	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"590095"	333.050608	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1077162"	136.992308	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1108908"	274.991892	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1344203"	275.079507	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1016013"	279.118676	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1535598"	280.112308	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"1000586"	140.062976	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1593997"	281.026928	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1420752"	311.058438	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1152133"	160.576251	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1708246"	328.084985	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1638428"	333.04038	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1573350"	349.01432	"C00514"	"D-Mannonate"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"802624"	132.0899	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M"	0
"985636"	113.07151	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-H2O-H"	-19.01839
"77647"	87.0526573333333	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M-3H"	-3.021828
"509066"	131.082624	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M-3H"	-3.021828
"887964"	43.0226906666667	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-3H"	-3.021828
"6539"	131.082624	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M-2H"	-2.014552
"455596"	197.127574	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M-2H"	-2.014552
"831565"	65.037674	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-2H"	-2.014552
"93623"	263.172524	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M-H"	-1.007276
"531119"	395.262424	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M-H"	-1.007276
"908920"	131.082624	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-H"	-1.007276
"57827"	280.199071	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M-2H+NH4"	16.019271
"496294"	412.288971	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M-2H+NH4"	16.019271
"871909"	148.109171	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-2H+NH4"	16.019271
"45276"	285.154466	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M-2H+Na"	20.974666
"485809"	417.244366	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M-2H+Na"	20.974666
"859354"	153.064566	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-2H+Na"	20.974666
"1627798"	153.064566	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Na-2H"	20.974666
"101409"	149.070963	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M-H+Cl"	33.962126
"546074"	215.115913	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M-H+Cl"	33.962126
"936308"	83.026013	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-H+Cl"	33.962126
"275959"	299.149202	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+Cl"	34.969402
"670571"	431.239102	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+Cl"	34.969402
"1287221"	167.059302	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Cl"	34.969402
"26620"	301.128406	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M-2H+K"	36.948606
"462900"	433.218306	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M-2H+K"	36.948606
"838517"	169.038506	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-2H+K"	36.948606
"1556896"	169.038506	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+K-2H"	36.948606
"945507"	177.088094	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-H+HCOOH"	44.998194
"363360"	309.178001	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+HCOOH-H"	44.998201
"347605"	323.193651	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+Hac-H"	59.013851
"1494618"	191.103751	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Hac-H"	59.013851
"960701"	199.070051	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-H+NaCOOH"	66.980151
"112160"	167.059302	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+2Cl"	69.938804
"554999"	233.104252	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+2Cl"	69.938804
"1027810"	101.014352	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2Cl"	69.938804
"1246660"	211.008785	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Br"	78.918885
"1313118"	213.064772	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Cl+HCOOH"	80.974872
"1326241"	235.046729	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Cl+NaCOOH"	102.956829
"918393"	245.075486	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M-H+CF3COOH"	112.985586
"1289636"	281.052164	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Cl+CF3COOH"	148.962264
"1372177"	97.077224	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H-2H2O"	-35.012676
"1391860"	115.0872	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H-H2O"	-17.0027
"296651"	265.187076	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+H"	1.007276
"682876"	397.276976	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+H"	1.007276
"1355945"	133.097176	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H"	1.007276
"134302"	133.097176	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+2H"	2.014552
"571677"	199.142126	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+2H"	2.014552
"1044849"	67.052226	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2H"	2.014552
"212750"	89.0672093333333	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+3H"	3.021828
"653406"	133.097176	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+3H"	3.021828
"1169342"	45.0372426666667	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+3H"	3.021828
"434806"	282.213623	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+NH4"	18.033823
"798718"	414.303523	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+NH4"	18.033823
"1687756"	150.123723	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+NH4"	18.033823
"336033"	141.6104495	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+H+NH4"	19.041099
"725537"	207.6553995	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+H+NH4"	19.041099
"1481179"	75.5654995	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H+NH4"	19.041099
"400951"	287.169018	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+Na"	22.989218
"758669"	419.258918	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+Na"	22.989218
"1606766"	155.079118	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Na"	22.989218
"321178"	144.088147	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+H+Na"	23.996494
"712506"	210.133097	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+H+Na"	23.996494
"1466328"	78.043197	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H+Na"	23.996494
"1058482"	52.3645566666667	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2H+Na"	25.00377
"1264535"	165.123386	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+CH3OH+H"	33.033486
"389670"	303.142958	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+K"	38.963158
"745200"	435.232858	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+K"	38.963158
"1554908"	171.053058	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+K"	38.963158
"310624"	152.075117	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+H+K"	39.970434
"701221"	218.120067	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+H+K"	39.970434
"1453948"	86.030167	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H+K"	39.970434
"245832"	306.213626	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+ACN+H"	42.033826
"1212704"	174.123726	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+ACN+H"	42.033826
"1196227"	87.565501	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+ACN+2H"	43.041102
"190558"	309.15096	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+2Na-H"	44.97116
"632672"	441.24086	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+2Na-H"	44.97116
"1136182"	177.06106	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2Na-H"	44.97116
"181659"	155.079118	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+2Na"	45.978436
"614780"	221.124068	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+2Na"	45.978436
"1119990"	89.034168	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2Na"	45.978436
"1404242"	59.6918706666667	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H+2Na"	46.985712
"1433807"	179.102646	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H+HCOOH"	47.012746
"224597"	160.11214	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+3H2O+2H"	56.04448
"1518131"	193.15469	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+IsoProp+H"	61.06479
"412351"	163.066088	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+Na+K"	61.952376
"776628"	229.111038	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+Na+K"	61.952376
"1672959"	97.021138	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Na+K"	61.952376
"259479"	328.195568	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+ACN+Na"	64.015768
"1234375"	196.105668	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+ACN+Na"	64.015768
"1717795"	196.129193	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+NH4+HCOOH"	64.039293
"1184246"	67.0191846666667	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+3Na"	68.967654
"1651949"	201.084588	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Na+HCOOH"	68.994688
"162458"	341.09884	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+2K-H"	76.91904
"603844"	473.18874	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+2K-H"	76.91904
"1092736"	209.00894	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2K-H"	76.91904
"152466"	171.053058	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"2M+2K"	77.926316
"591298"	237.098008	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"3M+2K"	77.926316
"1078000"	105.008108	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2K"	77.926316
"1109018"	211.023492	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2K+H"	78.933592
"1342127"	211.111107	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+DMSO+H"	79.021207
"1013937"	215.150276	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2ACN+H"	83.060376
"1535343"	216.143908	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+IsoProp+Na+H"	84.054008
"995229"	108.078776	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+2ACN+2H"	84.067652
"1591920"	217.058528	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+K+HCOOH"	84.968628
"1420862"	247.090038	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+H+CF3COOH"	115.000138
"1152243"	128.592051	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+3ACN+2H"	125.094202
"1708356"	264.116585	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+NH4+CF3COOH"	132.026685
"1638538"	269.07198	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+Na+CF3COOH"	136.98208
"1573096"	285.04592	"C00515"	"D-Ornithine"	"C5H12N2O2"	"132.0899"	"M+K+CF3COOH"	152.95602
"812213"	240.2453	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M"	0
"985747"	221.22691	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-H2O-H"	-19.01839
"75083"	159.156257333333	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M-3H"	-3.021828
"509176"	239.238024	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M-3H"	-3.021828
"889165"	79.0744906666667	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-3H"	-3.021828
"4460"	239.238024	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M-2H"	-2.014552
"450590"	359.360674	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M-2H"	-2.014552
"832627"	119.115374	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-2H"	-2.014552
"91667"	479.483324	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M-H"	-1.007276
"533295"	719.728624	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M-H"	-1.007276
"906843"	239.238024	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-H"	-1.007276
"56845"	496.509871	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M-2H+NH4"	16.019271
"502361"	736.755171	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M-2H+NH4"	16.019271
"879680"	256.264571	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-2H+NH4"	16.019271
"46486"	501.465266	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M-2H+Na"	20.974666
"484826"	741.710566	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M-2H+Na"	20.974666
"860557"	261.219966	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-2H+Na"	20.974666
"1627907"	261.219966	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Na-2H"	20.974666
"103342"	257.226363	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M-H+Cl"	33.962126
"543995"	377.349013	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M-H+Cl"	33.962126
"938605"	137.103713	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-H+Cl"	33.962126
"278255"	515.460002	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+Cl"	34.969402
"672860"	755.705302	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+Cl"	34.969402
"1287942"	275.214702	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Cl"	34.969402
"26730"	517.439206	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M-2H+K"	36.948606
"458637"	757.684506	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M-2H+K"	36.948606
"834611"	277.193906	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-2H+K"	36.948606
"1558831"	277.193906	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+K-2H"	36.948606
"945254"	285.243494	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-H+HCOOH"	44.998194
"362255"	525.488801	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+HCOOH-H"	44.998201
"348813"	539.504451	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+Hac-H"	59.013851
"1495458"	299.259151	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Hac-H"	59.013851
"963000"	307.225451	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-H+NaCOOH"	66.980151
"117375"	275.214702	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+2Cl"	69.938804
"558028"	395.337352	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+2Cl"	69.938804
"1027921"	155.092052	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2Cl"	69.938804
"1243489"	319.164185	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Br"	78.918885
"1305938"	321.220172	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Cl+HCOOH"	80.974872
"1325257"	343.202129	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Cl+NaCOOH"	102.956829
"916316"	353.230886	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M-H+CF3COOH"	112.985586
"1289742"	389.207564	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Cl+CF3COOH"	148.962264
"1368636"	205.232624	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H-2H2O"	-35.012676
"1384314"	223.2426	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H-H2O"	-17.0027
"294938"	481.497876	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+H"	1.007276
"682986"	721.743176	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+H"	1.007276
"1364803"	241.252576	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H"	1.007276
"134414"	241.252576	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+2H"	2.014552
"572880"	361.375226	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+2H"	2.014552
"1043865"	121.129926	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2H"	2.014552
"210675"	161.170809333333	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+3H"	3.021828
"652422"	241.252576	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+3H"	3.021828
"1171643"	81.0890426666667	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+3H"	3.021828
"432728"	498.524423	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+NH4"	18.033823
"792629"	738.769723	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+NH4"	18.033823
"1690054"	258.279123	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+NH4"	18.033823
"337237"	249.7658495	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+H+NH4"	19.041099
"729658"	369.8884995	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+H+NH4"	19.041099
"1480197"	129.6431995	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H+NH4"	19.041099
"396688"	503.479818	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+Na"	22.989218
"759874"	743.725118	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+Na"	22.989218
"1611251"	263.234518	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Na"	22.989218
"319100"	252.243547	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+H+Na"	23.996494
"712616"	372.366197	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+H+Na"	23.996494
"1467532"	132.120897	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H+Na"	23.996494
"1063331"	88.4163566666667	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2H+Na"	25.00377
"1267925"	273.278786	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+CH3OH+H"	33.033486
"387596"	519.453758	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+K"	38.963158
"750774"	759.699058	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+K"	38.963158
"1554289"	279.208458	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+K"	38.963158
"310004"	260.230517	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+H+K"	39.970434
"700238"	380.353167	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+H+K"	39.970434
"1452964"	140.107867	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H+K"	39.970434
"243751"	522.524426	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+ACN+H"	42.033826
"1212814"	282.279126	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+ACN+H"	42.033826
"1195973"	141.643201	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+ACN+2H"	43.041102
"192127"	525.46176	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+2Na-H"	44.97116
"630595"	765.70706	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+2Na-H"	44.97116
"1132159"	285.21646	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2Na-H"	44.97116
"175571"	263.234518	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+2Na"	45.978436
"618050"	383.357168	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+2Na"	45.978436
"1121557"	143.111868	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2Na"	45.978436
"1404352"	95.7436706666667	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H+2Na"	46.985712
"1438295"	287.258046	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H+HCOOH"	47.012746
"223614"	268.26754	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+3H2O+2H"	56.04448
"1521521"	301.31009	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+IsoProp+H"	61.06479
"421209"	271.221488	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+Na+K"	61.952376
"780018"	391.344138	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+Na+K"	61.952376
"1674161"	151.098838	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Na+K"	61.952376
"258496"	544.506368	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+ACN+Na"	64.015768
"1227563"	304.261068	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+ACN+Na"	64.015768
"1715718"	304.284593	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+NH4+HCOOH"	64.039293
"1180345"	103.070984666667	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+3Na"	68.967654
"1650965"	309.239988	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Na+HCOOH"	68.994688
"162933"	557.40964	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+2K-H"	76.91904
"603224"	797.65494	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+2K-H"	76.91904
"1087007"	317.16434	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2K-H"	76.91904
"151845"	279.208458	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"2M+2K"	77.926316
"591043"	399.331108	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"3M+2K"	77.926316
"1077015"	159.085808	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2K"	77.926316
"1106946"	319.178892	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2K+H"	78.933592
"1344423"	319.266507	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+DMSO+H"	79.021207
"1020609"	323.305676	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2ACN+H"	83.060376
"1531079"	324.299308	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+IsoProp+Na+H"	84.054008
"995339"	162.156476	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+2ACN+2H"	84.067652
"1592030"	325.213928	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+K+HCOOH"	84.968628
"1423160"	355.245438	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+H+CF3COOH"	115.000138
"1160009"	182.669751	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+3ACN+2H"	125.094202
"1709560"	372.271985	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+NH4+CF3COOH"	132.026685
"1635732"	377.22738	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+Na+CF3COOH"	136.98208
"1585238"	393.20132	"C00517"	"Hexadecanal;Palmitaldehyde"	"C16H32O"	"240.2453"	"M+K+CF3COOH"	152.95602
"803575"	109.0197	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M"	0
"982576"	90.00131	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-H2O-H"	-19.01839
"65353"	71.672524	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M-3H"	-3.021828
"503409"	108.012424	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M-3H"	-3.021828
"883807"	35.332624	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-3H"	-3.021828
"13331"	108.012424	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M-2H"	-2.014552
"454876"	162.522274	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M-2H"	-2.014552
"832436"	53.502574	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-2H"	-2.014552
"93846"	217.032124	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M-H"	-1.007276
"532432"	326.051824	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M-H"	-1.007276
"909142"	108.012424	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-H"	-1.007276
"58048"	234.058671	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M-2H+NH4"	16.019271
"499794"	343.078371	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M-2H+NH4"	16.019271
"875411"	125.038971	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-2H+NH4"	16.019271
"41122"	239.014066	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M-2H+Na"	20.974666
"482869"	348.033766	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M-2H+Na"	20.974666
"859577"	129.994366	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-2H+Na"	20.974666
"1632149"	129.994366	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Na-2H"	20.974666
"105638"	126.000763	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M-H+Cl"	33.962126
"549455"	180.510613	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M-H+Cl"	33.962126
"930695"	71.490913	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-H+Cl"	33.962126
"271072"	253.008802	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+Cl"	34.969402
"664950"	362.028502	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+Cl"	34.969402
"1279176"	143.989102	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Cl"	34.969402
"29756"	254.988006	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M-2H+K"	36.948606
"460934"	364.007706	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M-2H+K"	36.948606
"834721"	145.968306	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-2H+K"	36.948606
"1562220"	145.968306	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+K-2H"	36.948606
"944269"	154.017894	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-H+HCOOH"	44.998194
"364308"	263.037601	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+HCOOH-H"	44.998201
"348922"	277.053251	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+Hac-H"	59.013851
"1495569"	168.033551	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Hac-H"	59.013851
"960557"	175.999851	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-H+NaCOOH"	66.980151
"111651"	143.989102	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+2Cl"	69.938804
"550847"	198.498952	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+2Cl"	69.938804
"1024019"	89.479252	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2Cl"	69.938804
"1242750"	187.938585	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Br"	78.918885
"1307873"	189.994572	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Cl+HCOOH"	80.974872
"1320627"	211.976529	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Cl+NaCOOH"	102.956829
"916425"	222.005286	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M-H+CF3COOH"	112.985586
"1289852"	257.981964	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Cl+CF3COOH"	148.962264
"1368014"	74.007024	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H-2H2O"	-35.012676
"1392080"	92.017	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H-H2O"	-17.0027
"296872"	219.046676	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+H"	1.007276
"686376"	328.066376	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+H"	1.007276
"1356165"	110.026976	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H"	1.007276
"134520"	110.026976	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+2H"	2.014552
"571895"	164.536826	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+2H"	2.014552
"1042881"	55.517126	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2H"	2.014552
"214064"	73.687076	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+3H"	3.021828
"652534"	110.026976	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+3H"	3.021828
"1166650"	37.347176	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+3H"	3.021828
"432838"	236.073223	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+NH4"	18.033823
"799667"	345.092923	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+NH4"	18.033823
"1690163"	127.053523	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+NH4"	18.033823
"338441"	118.5402495	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+H+NH4"	19.041099
"728675"	173.0500995	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+H+NH4"	19.041099
"1487960"	64.0303995	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H+NH4"	19.041099
"402267"	241.028618	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+Na"	22.989218
"761078"	350.048318	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+Na"	22.989218
"1608078"	132.008918	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Na"	22.989218
"321396"	121.017947	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+H+Na"	23.996494
"713820"	175.527797	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+H+Na"	23.996494
"1472015"	66.508097	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H+Na"	23.996494
"1063805"	44.67449	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2H+Na"	25.00377
"1270223"	142.053186	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+CH3OH+H"	33.033486
"390618"	257.002558	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+K"	38.963158
"752708"	366.022258	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+K"	38.963158
"1553306"	147.982858	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+K"	38.963158
"311935"	129.004917	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+H+K"	39.970434
"704722"	183.514767	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+H+K"	39.970434
"1455259"	74.495067	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H+K"	39.970434
"242767"	260.073226	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+ACN+H"	42.033826
"1212560"	151.053526	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+ACN+H"	42.033826
"1196083"	76.030401	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+ACN+2H"	43.041102
"190051"	263.01056	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+2Na-H"	44.97116
"636173"	372.03026	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+2Na-H"	44.97116
"1138585"	153.99086	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2Na-H"	44.97116
"178598"	132.008918	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+2Na"	45.978436
"622172"	186.518768	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+2Na"	45.978436
"1118752"	77.499068	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2Na"	45.978436
"1404100"	52.001804	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H+2Na"	46.985712
"1437312"	156.032446	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H+HCOOH"	47.012746
"223725"	137.04194	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+3H2O+2H"	56.04448
"1517259"	170.08449	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+IsoProp+H"	61.06479
"419133"	139.995888	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+Na+K"	61.952376
"782317"	194.505738	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+Na+K"	61.952376
"1678646"	85.486038	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Na+K"	61.952376
"254965"	282.055168	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+ACN+Na"	64.015768
"1226942"	173.035468	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+ACN+Na"	64.015768
"1714732"	173.058993	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+NH4+HCOOH"	64.039293
"1178874"	59.329118	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+3Na"	68.967654
"1649990"	178.014388	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Na+HCOOH"	68.994688
"158662"	294.95844	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+2K-H"	76.91904
"597864"	403.97814	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+2K-H"	76.91904
"1090767"	185.93874	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2K-H"	76.91904
"146488"	147.982858	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"2M+2K"	77.926316
"587143"	202.492708	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"3M+2K"	77.926316
"1076034"	93.473008	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2K"	77.926316
"1107055"	187.953292	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2K+H"	78.933592
"1342346"	188.040907	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+DMSO+H"	79.021207
"1014156"	192.080076	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2ACN+H"	83.060376
"1531189"	193.073708	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+IsoProp+Na+H"	84.054008
"995449"	96.543676	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+2ACN+2H"	84.067652
"1594326"	193.988328	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+K+HCOOH"	84.968628
"1419984"	224.019838	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+H+CF3COOH"	115.000138
"1154649"	117.056951	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+3ACN+2H"	125.094202
"1704200"	241.046385	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+NH4+CF3COOH"	132.026685
"1636208"	246.00178	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+Na+CF3COOH"	136.98208
"1582069"	261.97572	"C00519"	"Hypotaurine;2-Aminoethanesulfinic acid"	"C2H7NO2S"	"109.0197"	"M+K+CF3COOH"	152.95602
"815715"	136.1252	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M"	0
"979406"	117.10681	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"75306"	89.7428573333333	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"508304"	135.117924	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"886105"	44.3677906666667	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"14903"	135.117924	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"453973"	203.180524	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"832142"	67.055324	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"93106"	271.243124	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"533155"	407.368324	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"909378"	135.117924	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"62051"	288.269671	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"501978"	424.394871	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"878684"	152.144471	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"45248"	293.225066	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"485782"	429.350266	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"862245"	157.099866	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1632869"	157.099866	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"109033"	153.106263	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"548105"	221.168863	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"935545"	85.043663	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"278475"	307.219802	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"673083"	443.345002	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1280021"	171.094602	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"18568"	309.199006	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"467607"	445.324206	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"836661"	173.073806	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1558321"	173.073806	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"950216"	181.123394	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"367338"	317.248601	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"349033"	331.264251	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1494221"	195.139051	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"959329"	203.105351	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"110909"	171.094602	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"550835"	239.157202	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1023037"	103.032002	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1245898"	215.044085	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1309802"	217.100072	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1322561"	239.082029	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"913986"	249.110786	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1291426"	285.087464	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1368494"	101.112524	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1388910"	119.1225	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"287502"	273.257676	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"684298"	409.382876	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1356273"	137.132476	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H"	1.007276
"132443"	137.132476	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"569819"	205.195076	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1041900"	69.069876	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"211987"	91.7574093333333	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"655928"	137.132476	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1176238"	46.3823426666667	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"434042"	290.284223	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"797225"	426.409423	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1690275"	154.159023	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"339646"	145.6457495	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"729879"	213.7083495	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1481513"	77.5831495	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"400192"	295.239618	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"765564"	431.364818	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1609287"	159.114418	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"320417"	148.123447	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"716117"	216.186047	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1472127"	80.060847	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1061001"	53.7096566666667	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1265961"	169.158686	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"377971"	311.213558	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"744431"	447.338758	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1543205"	175.088358	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+K"	38.963158
"302568"	156.110417	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"696082"	224.173017	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1457556"	88.047817	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"242877"	314.284226	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1213763"	178.159026	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1196188"	89.583151	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"189106"	317.22156	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"629593"	453.34676	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1136508"	181.09636	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"177613"	159.114418	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"615354"	227.177018	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1118860"	91.051818	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1401662"	61.0369706666667	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1433050"	183.137946	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"227121"	164.14744	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1512996"	197.18999	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"413776"	167.101388	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"774771"	235.163988	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1675476"	99.038788	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"252522"	336.266168	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1228149"	200.140968	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1715942"	200.164493	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1178860"	68.3642846666667	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1650212"	205.119888	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"157271"	349.16944	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"597482"	485.29464	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1084384"	213.04424	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"141431"	175.088358	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"586159"	243.150958	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1081978"	107.025758	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1111541"	215.058792	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1346833"	215.146407	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1016456"	219.185576	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1535673"	220.179208	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1001027"	110.096426	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1599906"	221.093828	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1425566"	251.125338	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1162691"	130.609701	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1704311"	268.151885	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1644340"	273.10728	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582179"	289.08122	"C00521"	"(-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"803795"	148.0736	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M"	0
"977327"	129.05521	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"66667"	97.7084573333333	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"503075"	147.066324	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"881111"	48.3505906666667	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"15496"	147.066324	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"454449"	221.103124	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"831643"	73.029524	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"90905"	295.139924	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"533752"	443.213524	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"909730"	147.066324	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"61309"	312.166471	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"502092"	460.240071	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"878184"	164.092871	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"43897"	317.121866	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"486619"	465.195466	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"863444"	169.048266	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1633708"	169.048266	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"109507"	165.054663	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"548578"	239.091463	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"935655"	91.017863	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"279678"	331.116602	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"664445"	479.190202	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1280131"	183.043002	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"18314"	333.095806	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"467717"	481.169406	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"836771"	185.022206	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1559163"	185.022206	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"947047"	193.071794	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"363439"	341.145401	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"348052"	355.161051	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1493604"	207.087451	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"959805"	215.053751	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"111508"	183.043002	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"551187"	257.079802	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1023880"	109.006202	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1247831"	226.992485	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1309911"	229.048472	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1323035"	251.030429	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"913000"	261.059186	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1289709"	297.035864	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1368969"	113.060924	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1390113"	131.0709	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"284329"	297.154476	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"686231"	445.228076	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1361850"	149.080876	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"133647"	149.080876	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"568833"	223.117676	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1043103"	75.044076	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"213190"	99.7230093333333	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"654943"	149.080876	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1169787"	50.3651426666667	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"428685"	314.181023	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"795147"	462.254623	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1688198"	166.107423	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"338661"	157.5941495	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"728894"	231.6309495	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1481622"	83.5573495	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"398116"	319.136418	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"763487"	467.210018	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1607209"	171.062818	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"320524"	160.071847	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"711853"	234.108647	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1468955"	86.035047	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1063296"	57.6924566666667	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1266067"	181.107086	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"377715"	335.110358	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"743448"	483.183958	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1544408"	187.036758	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"303772"	168.058817	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"696193"	242.095617	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1453293"	94.022017	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"240803"	338.181026	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1212416"	190.107426	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1194958"	95.557351	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"189168"	341.11836	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"629213"	489.19196	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1135524"	193.04476	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"177721"	171.062818	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"614364"	245.099618	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1117877"	97.026018	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1401409"	65.0197706666667	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1434618"	195.086346	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"228324"	176.09584	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1516385"	209.13839	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"414979"	179.049788	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"775974"	253.086588	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1675586"	105.012988	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"258101"	360.162968	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1227165"	212.089368	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1716052"	212.112893	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1178591"	72.3470846666667	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1650000"	217.068288	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"157306"	373.06624	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"598442"	521.13984	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1085626"	224.99264	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"142203"	187.036758	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"586269"	261.073558	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1081359"	112.999958	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1112745"	227.007192	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1350347"	227.094807	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1018753"	231.133976	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1534690"	232.127608	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"997857"	116.070626	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1600016"	233.042228	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1424583"	263.073738	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1162690"	136.583901	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1703328"	280.100285	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1641169"	285.05568	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1582289"	301.02962	"C00522"	"(R)-Pantoate;Pantoate;Pantoic acid"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"802812"	290.2246	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M"	0
"977437"	271.20621	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"72245"	192.475790666667	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"507429"	289.217324	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"885236"	95.7342573333333	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"15654"	289.217324	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"454315"	434.329624	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"832749"	144.105024	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"93569"	579.441924	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"534205"	869.666524	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"910080"	289.217324	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"62564"	596.468471	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"502651"	886.693071	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"879786"	306.243871	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"47068"	601.423866	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"486928"	891.648466	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"864126"	311.199266	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1633947"	311.199266	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"109743"	307.205663	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"548690"	452.317963	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"939045"	162.093363	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"282818"	615.418602	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"673303"	905.643202	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1280241"	325.194002	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"20610"	617.397806	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"461265"	907.622406	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"836881"	327.173206	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1556598"	327.173206	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"947156"	335.222794	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"364279"	625.447401	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"352535"	639.463051	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1500277"	349.238451	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"967816"	357.204751	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"114537"	325.194002	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"550933"	470.306302	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1022892"	180.081702	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1247942"	369.143485	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1316586"	371.199472	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1324606"	393.181429	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"913112"	403.210186	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1289821"	439.186864	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1368107"	255.211924	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1386944"	273.2219	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"291004"	581.456476	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"681241"	871.681076	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1353216"	291.231876	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"130477"	291.231876	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"571131"	436.344176	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1046492"	146.119576	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"213300"	194.490342666667	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"656147"	291.231876	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1169897"	97.7488093333333	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"430982"	598.483023	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"799269"	888.707623	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1691589"	308.258423	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"342053"	299.7451495	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"732285"	444.8574495	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1485013"	154.6328495	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"399319"	603.438418	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"765785"	893.663018	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1611694"	313.213818	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"322824"	302.222847	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"718528"	447.335147	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1472349"	157.110547	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1061224"	105.076123333333	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1266181"	323.258086	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"383658"	619.412358	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"749026"	909.636958	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1546707"	329.187758	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"307163"	310.209817	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"698493"	455.322117	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1456686"	165.097517	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"240911"	622.483026	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1214713"	332.258426	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1195681"	166.632851	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"189163"	625.42036	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"628680"	915.64496	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1137822"	335.19576	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"176738"	313.213818	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"615206"	458.326118	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1118718"	168.101518	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1402248"	112.403437333333	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1431202"	337.237346	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"225152"	318.24684	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1515400"	351.28939	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"410714"	321.200788	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"774991"	466.313088	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1670228"	176.088488	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"261125"	644.464968	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1228731"	354.240368	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1716162"	354.263893	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1179201"	119.730751333333	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1650916"	359.219288	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"157656"	657.36824	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"598552"	947.59284	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1086465"	367.14364	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"143161"	329.187758	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"587472"	474.300058	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1080737"	184.075458	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1104103"	369.158192	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1345957"	369.245807	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1019106"	373.284976	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1534800"	374.278608	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"1000155"	187.146126	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1594660"	375.193228	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1426880"	405.224738	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1158261"	207.659401	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1708906"	422.251285	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1637996"	427.20668	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1582399"	443.18062	"C00523"	"Androsterone;3alpha-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"802923"	204.0899	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M"	0
"983020"	185.07151	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-H2O-H"	-19.01839
"69075"	135.052657333333	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M-3H"	-3.021828
"517025"	203.082624	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M-3H"	-3.021828
"895406"	67.0226906666667	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-3H"	-3.021828
"13771"	203.082624	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M-2H"	-2.014552
"451143"	305.127574	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M-2H"	-2.014552
"830038"	101.037674	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-2H"	-2.014552
"85658"	407.172524	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M-H"	-1.007276
"528498"	611.262424	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M-H"	-1.007276
"909580"	203.082624	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-H"	-1.007276
"56301"	424.199071	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M-2H+NH4"	16.019271
"502180"	628.288971	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M-2H+NH4"	16.019271
"869288"	220.109171	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-2H+NH4"	16.019271
"44840"	429.154466	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M-2H+Na"	20.974666
"481122"	633.244366	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M-2H+Na"	20.974666
"863054"	225.064566	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-2H+Na"	20.974666
"1625905"	225.064566	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Na-2H"	20.974666
"101706"	221.070963	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M-H+Cl"	33.962126
"543451"	323.115913	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M-H+Cl"	33.962126
"931864"	119.026013	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-H+Cl"	33.962126
"271515"	443.149202	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+Cl"	34.969402
"666854"	647.239102	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+Cl"	34.969402
"1277435"	239.059302	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Cl"	34.969402
"20721"	445.128406	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M-2H+K"	36.948606
"461374"	649.218306	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M-2H+K"	36.948606
"836989"	241.038506	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-2H+K"	36.948606
"1562663"	241.038506	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+K-2H"	36.948606
"953826"	249.088094	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-H+HCOOH"	44.998194
"375322"	453.178001	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+HCOOH-H"	44.998201
"350461"	467.193651	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+Hac-H"	59.013851
"1496013"	263.103751	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Hac-H"	59.013851
"962461"	271.070051	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-H+NaCOOH"	66.980151
"110756"	239.059302	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+2Cl"	69.938804
"550435"	341.104252	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+2Cl"	69.938804
"1027381"	137.014352	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2Cl"	69.938804
"1242584"	283.008785	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Br"	78.918885
"1304664"	285.064772	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Cl+HCOOH"	80.974872
"1323627"	307.046729	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Cl+NaCOOH"	102.956829
"915052"	317.075486	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M-H+CF3COOH"	112.985586
"1291762"	353.052164	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Cl+CF3COOH"	148.962264
"1370653"	169.077224	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H-2H2O"	-35.012676
"1387056"	187.0872	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H-H2O"	-17.0027
"293305"	409.187076	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+H"	1.007276
"681352"	613.276976	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+H"	1.007276
"1358794"	205.097176	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H"	1.007276
"130589"	205.097176	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+2H"	2.014552
"572334"	307.142126	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+2H"	2.014552
"1043323"	103.052226	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2H"	2.014552
"213415"	137.067209333333	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+3H"	3.021828
"654068"	205.097176	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+3H"	3.021828
"1174381"	69.0372426666667	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+3H"	3.021828
"437289"	426.213623	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+NH4"	18.033823
"800107"	630.303523	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+NH4"	18.033823
"1693887"	222.123723	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+NH4"	18.033823
"343987"	213.6104495	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+H+NH4"	19.041099
"734585"	315.6553995	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+H+NH4"	19.041099
"1486218"	111.5654995	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H+NH4"	19.041099
"403804"	431.169018	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+Na"	22.989218
"769055"	635.258918	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+Na"	22.989218
"1617153"	227.079118	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Na"	22.989218
"325123"	216.088147	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+H+Na"	23.996494
"719732"	318.133097	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+H+Na"	23.996494
"1470275"	114.043197	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H+Na"	23.996494
"1060239"	76.3645566666667	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2H+Na"	25.00377
"1264100"	237.123386	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+CH3OH+H"	33.033486
"381582"	447.142958	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+K"	38.963158
"744764"	651.232858	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+K"	38.963158
"1542806"	243.053058	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+K"	38.963158
"302171"	224.075117	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+H+K"	39.970434
"695321"	326.120067	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+H+K"	39.970434
"1449141"	122.030167	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H+K"	39.970434
"237377"	450.213626	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+ACN+H"	42.033826
"1210812"	246.123726	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+ACN+H"	42.033826
"1195303"	123.565501	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+ACN+2H"	43.041102
"192314"	453.15096	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+2Na-H"	44.97116
"636617"	657.24086	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+2Na-H"	44.97116
"1136114"	249.06106	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2Na-H"	44.97116
"182320"	227.079118	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+2Na"	45.978436
"617875"	329.124068	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+2Na"	45.978436
"1117860"	125.034168	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2Na"	45.978436
"1404182"	83.6918706666667	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H+2Na"	46.985712
"1432651"	251.102646	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H+HCOOH"	47.012746
"222712"	232.11214	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+3H2O+2H"	56.04448
"1511504"	265.15469	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+IsoProp+H"	61.06479
"413013"	235.066088	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+Na+K"	61.952376
"772915"	337.111038	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+Na+K"	61.952376
"1673623"	133.021138	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Na+K"	61.952376
"255771"	472.195568	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+ACN+Na"	64.015768
"1226412"	268.105668	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+ACN+Na"	64.015768
"1714201"	268.129193	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+NH4+HCOOH"	64.039293
"1181991"	91.0191846666667	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+3Na"	68.967654
"1653342"	273.084588	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Na+HCOOH"	68.994688
"158010"	485.09884	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+2K-H"	76.91904
"599271"	689.18874	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+2K-H"	76.91904
"1085730"	281.00894	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2K-H"	76.91904
"152035"	243.053058	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"2M+2K"	77.926316
"587587"	345.098008	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"3M+2K"	77.926316
"1083768"	141.008108	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2K"	77.926316
"1114667"	283.023492	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2K+H"	78.933592
"1347163"	283.111107	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+DMSO+H"	79.021207
"1017880"	287.150276	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2ACN+H"	83.060376
"1537099"	288.143908	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+IsoProp+Na+H"	84.054008
"1000266"	144.078776	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+2ACN+2H"	84.067652
"1599144"	289.058528	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+K+HCOOH"	84.968628
"1429671"	319.090038	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+H+CF3COOH"	115.000138
"1159465"	164.592051	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+3ACN+2H"	125.094202
"1709017"	336.116585	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+NH4+CF3COOH"	132.026685
"1646856"	341.07198	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+Na+CF3COOH"	136.98208
"1582510"	357.04592	"C00525"	"D-Tryptophan"	"C11H12N2O2"	"204.0899"	"M+K+CF3COOH"	152.95602
"803033"	228.0746	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M"	0
"983130"	209.05621	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-H2O-H"	-19.01839
"66998"	151.042457333333	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M-3H"	-3.021828
"516406"	227.067324	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M-3H"	-3.021828
"894579"	75.0175906666667	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-3H"	-3.021828
"14246"	227.067324	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M-2H"	-2.014552
"449066"	341.104624	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M-2H"	-2.014552
"827960"	113.030024	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-2H"	-2.014552
"86861"	455.141924	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M-H"	-1.007276
"528607"	683.216524	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M-H"	-1.007276
"907139"	227.067324	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-H"	-1.007276
"53131"	472.168471	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M-2H+NH4"	16.019271
"497063"	700.243071	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M-2H+NH4"	16.019271
"867939"	244.093871	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-2H+NH4"	16.019271
"39848"	477.123866	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M-2H+Na"	20.974666
"483418"	705.198466	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M-2H+Na"	20.974666
"861220"	249.049266	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-2H+Na"	20.974666
"1631848"	249.049266	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Na-2H"	20.974666
"98536"	245.055663	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M-H+Cl"	33.962126
"544654"	359.092963	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M-H+Cl"	33.962126
"932703"	131.018363	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-H+Cl"	33.962126
"268709"	491.118602	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+Cl"	34.969402
"666964"	719.193202	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+Cl"	34.969402
"1277181"	263.044002	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Cl"	34.969402
"23018"	493.097806	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M-2H+K"	36.948606
"461484"	721.172406	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M-2H+K"	36.948606
"834183"	265.023206	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-2H+K"	36.948606
"1559493"	265.023206	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+K-2H"	36.948606
"950656"	273.072794	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-H+HCOOH"	44.998194
"372153"	501.147401	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+HCOOH-H"	44.998201
"356039"	515.163051	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+Hac-H"	59.013851
"1496123"	287.088451	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Hac-H"	59.013851
"962571"	295.054751	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-H+NaCOOH"	66.980151
"110048"	263.044002	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+2Cl"	69.938804
"550181"	377.081302	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+2Cl"	69.938804
"1024211"	149.006702	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2Cl"	69.938804
"1242694"	306.993485	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Br"	78.918885
"1305502"	309.049472	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Cl+HCOOH"	80.974872
"1320453"	331.031429	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Cl+NaCOOH"	102.956829
"912607"	341.060186	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M-H+CF3COOH"	112.985586
"1294788"	377.036864	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Cl+CF3COOH"	148.962264
"1370763"	193.061924	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H-2H2O"	-35.012676
"1387166"	211.0719	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H-H2O"	-17.0027
"291228"	457.156476	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+H"	1.007276
"680369"	685.231076	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+H"	1.007276
"1357811"	229.081876	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H"	1.007276
"130699"	229.081876	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+2H"	2.014552
"571351"	343.119176	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+2H"	2.014552
"1045617"	115.044576	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2H"	2.014552
"215711"	153.057009333333	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+3H"	3.021828
"651987"	229.081876	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+3H"	3.021828
"1169021"	77.0321426666667	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+3H"	3.021828
"437399"	474.183023	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+NH4"	18.033823
"797664"	702.257623	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+NH4"	18.033823
"1691809"	246.108423	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+NH4"	18.033823
"344220"	237.5951495	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+H+NH4"	19.041099
"731414"	351.6324495	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+H+NH4"	19.041099
"1485231"	123.5578495	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H+NH4"	19.041099
"397350"	479.138418	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+Na"	22.989218
"767100"	707.213018	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+Na"	22.989218
"1611915"	251.063818	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Na"	22.989218
"323046"	240.072847	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+H+Na"	23.996494
"713280"	354.110147	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+H+Na"	23.996494
"1471477"	126.035547	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H+Na"	23.996494
"1059256"	84.3594566666667	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2H+Na"	25.00377
"1260930"	261.108086	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+CH3OH+H"	33.033486
"381692"	495.112358	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+K"	38.963158
"740865"	723.186958	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+K"	38.963158
"1543645"	267.037758	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+K"	38.963158
"300824"	248.059817	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+H+K"	39.970434
"692152"	362.097117	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+H+K"	39.970434
"1446336"	134.022517	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H+K"	39.970434
"237853"	498.183026	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+ACN+H"	42.033826
"1210233"	270.108426	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+ACN+H"	42.033826
"1195899"	135.557851	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+ACN+2H"	43.041102
"191331"	501.12036	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+2Na-H"	44.97116
"633447"	729.19496	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+2Na-H"	44.97116
"1133672"	273.04576	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2Na-H"	44.97116
"178058"	251.063818	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+2Na"	45.978436
"619809"	365.101118	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+2Na"	45.978436
"1116757"	137.026518	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2Na"	45.978436
"1405021"	91.6867706666667	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H+2Na"	46.985712
"1432032"	275.087346	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H+HCOOH"	47.012746
"222822"	256.09684	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+3H2O+2H"	56.04448
"1512343"	289.13939	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+IsoProp+H"	61.06479
"414216"	259.050788	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+Na+K"	61.952376
"776305"	373.088088	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+Na+K"	61.952376
"1670450"	145.013488	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Na+K"	61.952376
"252598"	520.164968	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+ACN+Na"	64.015768
"1228225"	292.090368	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+ACN+Na"	64.015768
"1713460"	292.113893	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+NH4+HCOOH"	64.039293
"1179549"	99.0140846666667	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+3Na"	68.967654
"1653452"	297.069288	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Na+HCOOH"	68.994688
"157431"	533.06824	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+2K-H"	76.91904
"597921"	761.14284	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+2K-H"	76.91904
"1084745"	304.99364	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2K-H"	76.91904
"151415"	267.037758	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"2M+2K"	77.926316
"587697"	381.075058	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"3M+2K"	77.926316
"1082539"	153.000458	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2K"	77.926316
"1114778"	307.008192	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2K+H"	78.933592
"1348975"	307.095807	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+DMSO+H"	79.021207
"1017626"	311.134976	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2ACN+H"	83.060376
"1535022"	312.128608	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+IsoProp+Na+H"	84.054008
"1000376"	156.071126	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+2ACN+2H"	84.067652
"1599254"	313.043228	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+K+HCOOH"	84.968628
"1428924"	343.074738	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+H+CF3COOH"	115.000138
"1158482"	176.584401	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+3ACN+2H"	125.094202
"1709127"	360.101285	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+NH4+CF3COOH"	132.026685
"1646966"	365.05668	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+Na+CF3COOH"	136.98208
"1582620"	381.03062	"C00526"	"Deoxyuridine;2-Deoxyuridine;2-Deoxyuridine"	"C9H12N2O5"	"228.0746"	"M+K+CF3COOH"	152.95602
"803143"	881.1469	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M"	0
"983240"	862.12851	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H2O-H"	-19.01839
"69295"	586.423990666667	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-3H"	-3.021828
"516516"	880.139624	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-3H"	-3.021828
"893594"	292.708357333333	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-3H"	-3.021828
"14358"	880.139624	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H"	-2.014552
"453187"	1320.713074	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H"	-2.014552
"830259"	439.566174	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H"	-2.014552
"91344"	1761.286524	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-H"	-1.007276
"524344"	2642.433424	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-H"	-1.007276
"908707"	880.139624	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H"	-1.007276
"58708"	1778.313071	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+NH4"	16.019271
"500211"	2659.459971	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+NH4"	16.019271
"870603"	897.166171	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H+NH4"	16.019271
"39596"	1783.268466	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+Na"	20.974666
"476969"	2664.415366	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+Na"	20.974666
"854771"	902.121566	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H+Na"	20.974666
"1625397"	902.121566	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na-2H"	20.974666
"104112"	898.127963	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-H+Cl"	33.962126
"542578"	1338.701413	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-H+Cl"	33.962126
"931720"	457.554513	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+Cl"	33.962126
"271370"	1797.263202	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Cl"	34.969402
"667074"	2678.410102	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+Cl"	34.969402
"1277291"	916.116302	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl"	34.969402
"25314"	1799.242406	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+K"	36.948606
"459770"	2680.389306	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+K"	36.948606
"842678"	918.095506	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H+K"	36.948606
"1565072"	918.095506	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K-2H"	36.948606
"952954"	926.145094	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+HCOOH"	44.998194
"371170"	1807.292001	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+HCOOH-H"	44.998201
"357970"	1821.307651	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Hac-H"	59.013851
"1503887"	940.160751	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Hac-H"	59.013851
"970335"	948.127051	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+NaCOOH"	66.980151
"111950"	916.116302	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2Cl"	69.938804
"551143"	1356.689752	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2Cl"	69.938804
"1027601"	475.542852	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2Cl"	69.938804
"1244625"	960.065785	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Br"	78.918885
"1305247"	962.121772	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+HCOOH"	80.974872
"1322747"	984.103729	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+NaCOOH"	102.956829
"913076"	994.132486	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+CF3COOH"	112.985586
"1295992"	1030.109164	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+CF3COOH"	148.962264
"1370873"	846.134224	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H-2H2O"	-35.012676
"1387276"	864.1442	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H-H2O"	-17.0027
"293525"	1763.301076	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H"	1.007276
"681572"	2644.447976	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H"	1.007276
"1356828"	882.154176	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H"	1.007276
"128257"	882.154176	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2H"	2.014552
"569274"	1322.727626	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2H"	2.014552
"1047914"	441.580726	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2H"	2.014552
"215820"	588.438542666667	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+3H"	3.021828
"648818"	882.154176	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+3H"	3.021828
"1169131"	294.722909333333	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+3H"	3.021828
"434590"	1780.327623	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+NH4"	18.033823
"799233"	2661.474523	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+NH4"	18.033823
"1693013"	899.180723	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+NH4"	18.033823
"341290"	890.6674495	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H+NH4"	19.041099
"732617"	1331.2408995	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H+NH4"	19.041099
"1485340"	450.0939995	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+NH4"	19.041099
"398553"	1785.283018	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Na"	22.989218
"768548"	2666.429918	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+Na"	22.989218
"1613118"	904.136118	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na"	22.989218
"322062"	893.145147	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H+Na"	23.996494
"715576"	1333.718597	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H+Na"	23.996494
"1472678"	452.571697	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+Na"	23.996494
"1066655"	302.050223333333	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2H+Na"	25.00377
"1258855"	914.180386	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+CH3OH+H"	33.033486
"383990"	1801.256958	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+K"	38.963158
"741704"	2682.403858	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+K"	38.963158
"1545943"	920.110058	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K"	38.963158
"303122"	901.132117	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H+K"	39.970434
"694449"	1341.705567	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H+K"	39.970434
"1452642"	460.558667	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+K"	39.970434
"241245"	1804.327626	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+H"	42.033826
"1210545"	923.180726	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+H"	42.033826
"1195162"	462.094001	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+2H"	43.041102
"189740"	1807.26496	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na-H"	44.97116
"631732"	2688.41186	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na-H"	44.97116
"1135969"	926.11806	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2Na-H"	44.97116
"176342"	904.136118	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na"	45.978436
"618826"	1344.709568	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na"	45.978436
"1118688"	463.562668	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2Na"	45.978436
"1400388"	309.377537333333	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+2Na"	46.985712
"1435787"	928.159646	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+HCOOH"	47.012746
"224754"	909.16914	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+3H2O+2H"	56.04448
"1514639"	942.21169	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+H"	61.06479
"416512"	912.123088	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Na+K"	61.952376
"778601"	1352.696538	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+Na+K"	61.952376
"1670561"	471.549638	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na+K"	61.952376
"251979"	1826.309568	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+Na"	64.015768
"1226503"	945.162668	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+Na"	64.015768
"1713206"	945.186193	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+HCOOH"	64.039293
"1179659"	316.704851333333	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+3Na"	68.967654
"1651739"	950.141588	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na+HCOOH"	68.994688
"157863"	1839.21284	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2K-H"	76.91904
"597787"	2720.35974	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2K-H"	76.91904
"1084571"	958.06594	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2K-H"	76.91904
"148246"	920.110058	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2K"	77.926316
"587807"	1360.683508	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2K"	77.926316
"1081069"	479.536608	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2K"	77.926316
"1114280"	960.080492	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2K+H"	78.933592
"1351032"	960.168107	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+DMSO+H"	79.021207
"1021143"	964.207276	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+H"	83.060376
"1538415"	965.200908	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+Na+H"	84.054008
"1000486"	482.607276	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+2H"	84.067652
"1599000"	966.115528	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K+HCOOH"	84.968628
"1428792"	996.147038	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+CF3COOH"	115.000138
"1157499"	503.120551	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+3ACN+2H"	125.094202
"1709237"	1013.173585	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+CF3COOH"	132.026685
"1645983"	1018.12898	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na+CF3COOH"	136.98208
"1582730"	1034.10292	"C00527"	"Glutaryl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K+CF3COOH"	152.95602
"803253"	880.4389	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M"	0
"976177"	861.42051	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-H2O-H"	-19.01839
"64054"	585.951990666667	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M-3H"	-3.021828
"514440"	879.431624	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M-3H"	-3.021828
"892975"	292.472357333333	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-3H"	-3.021828
"12279"	879.431624	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M-2H"	-2.014552
"448194"	1319.651074	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M-2H"	-2.014552
"827089"	439.212174	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-2H"	-2.014552
"85987"	1759.870524	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M-H"	-1.007276
"522267"	2640.309424	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M-H"	-1.007276
"906629"	879.431624	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-H"	-1.007276
"55537"	1776.897071	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M-2H+NH4"	16.019271
"499348"	2657.335971	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M-2H+NH4"	16.019271
"871806"	896.458171	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-2H+NH4"	16.019271
"38613"	1781.852466	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M-2H+Na"	20.974666
"477077"	2662.291366	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M-2H+Na"	20.974666
"852328"	901.413566	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-2H+Na"	20.974666
"1619105"	901.413566	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Na-2H"	20.974666
"99848"	897.419963	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M-H+Cl"	33.962126
"539408"	1337.639413	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M-H+Cl"	33.962126
"929643"	457.200513	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-H+Cl"	33.962126
"270387"	1795.847202	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+Cl"	34.969402
"664996"	2676.286102	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+Cl"	34.969402
"1277400"	915.408302	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Cl"	34.969402
"23237"	1797.826406	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M-2H+K"	36.948606
"458423"	2678.265306	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M-2H+K"	36.948606
"842788"	917.387506	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-2H+K"	36.948606
"1566275"	917.387506	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+K-2H"	36.948606
"951971"	925.437094	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-H+HCOOH"	44.998194
"373467"	1805.876001	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+HCOOH-H"	44.998201
"358444"	1819.891651	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+Hac-H"	59.013851
"1505819"	939.452751	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Hac-H"	59.013851
"969352"	947.419051	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-H+NaCOOH"	66.980151
"114978"	915.408302	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+2Cl"	69.938804
"550529"	1355.627752	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+2Cl"	69.938804
"1027712"	475.188852	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2Cl"	69.938804
"1249475"	959.357785	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Br"	78.918885
"1305115"	961.413772	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Cl+HCOOH"	80.974872
"1321401"	983.395729	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Cl+NaCOOH"	102.956829
"912825"	993.424486	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M-H+CF3COOH"	112.985586
"1293915"	1029.401164	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Cl+CF3COOH"	148.962264
"1374263"	845.426224	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H-2H2O"	-35.012676
"1387386"	863.4362	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H-H2O"	-17.0027
"293635"	1761.885076	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+H"	1.007276
"684962"	2642.323976	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+H"	1.007276
"1358031"	881.446176	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H"	1.007276
"129096"	881.446176	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+2H"	2.014552
"572664"	1321.665626	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+2H"	2.014552
"1049117"	441.226726	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2H"	2.014552
"212650"	587.966542666667	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+3H"	3.021828
"650022"	881.446176	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+3H"	3.021828
"1174344"	294.486909333333	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+3H"	3.021828
"434336"	1778.911623	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+NH4"	18.033823
"799344"	2659.350523	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+NH4"	18.033823
"1695677"	898.472723	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+NH4"	18.033823
"344318"	889.9594495	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+H+NH4"	19.041099
"734550"	1330.1788995	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+H+NH4"	19.041099
"1486544"	449.7399995	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H+NH4"	19.041099
"400849"	1783.867018	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+Na"	22.989218
"762942"	2664.305918	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+Na"	22.989218
"1614321"	903.428118	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Na"	22.989218
"321077"	892.437147	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+H+Na"	23.996494
"715686"	1332.656597	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+H+Na"	23.996494
"1468412"	452.217697	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H+Na"	23.996494
"1064942"	301.814223333333	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2H+Na"	25.00377
"1269899"	913.472386	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+CH3OH+H"	33.033486
"383007"	1799.840958	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+K"	38.963158
"742909"	2680.279858	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+K"	38.963158
"1546052"	919.402058	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+K"	38.963158
"305419"	900.424117	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+H+K"	39.970434
"692735"	1340.643567	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+H+K"	39.970434
"1448379"	460.204667	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H+K"	39.970434
"240261"	1802.911626	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+ACN+H"	42.033826
"1209993"	922.472726	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+ACN+H"	42.033826
"1195150"	461.740001	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+ACN+2H"	43.041102
"190457"	1805.84896	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+2Na-H"	44.97116
"632570"	2686.28786	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+2Na-H"	44.97116
"1133526"	925.41006	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2Na-H"	44.97116
"178274"	903.428118	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+2Na"	45.978436
"624403"	1343.647568	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+2Na"	45.978436
"1119528"	463.208668	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2Na"	45.978436
"1404873"	309.141537333333	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H+2Na"	46.985712
"1440271"	927.451646	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H+HCOOH"	47.012746
"224865"	908.46114	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+3H2O+2H"	56.04448
"1514018"	941.50369	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+IsoProp+H"	61.06479
"414436"	911.415088	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+Na+K"	61.952376
"776527"	1351.634538	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+Na+K"	61.952376
"1670673"	471.195638	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Na+K"	61.952376
"252573"	1824.893568	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+ACN+Na"	64.015768
"1227341"	944.454668	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+ACN+Na"	64.015768
"1713680"	944.478193	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+NH4+HCOOH"	64.039293
"1179404"	316.468851333333	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+3Na"	68.967654
"1651120"	949.433588	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Na+HCOOH"	68.994688
"157405"	1837.79684	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+2K-H"	76.91904
"597899"	2718.23574	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+2K-H"	76.91904
"1084844"	957.35794	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2K-H"	76.91904
"146169"	919.402058	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"2M+2K"	77.926316
"587917"	1359.621508	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"3M+2K"	77.926316
"1081179"	479.182608	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2K"	77.926316
"1113053"	959.372492	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2K+H"	78.933592
"1345305"	959.460107	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+DMSO+H"	79.021207
"1016022"	963.499276	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2ACN+H"	83.060376
"1534149"	964.492908	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+IsoProp+Na+H"	84.054008
"994036"	482.253276	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+2ACN+2H"	84.067652
"1599474"	965.407528	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+K+HCOOH"	84.968628
"1428051"	995.439038	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+H+CF3COOH"	115.000138
"1157609"	502.766551	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+3ACN+2H"	125.094202
"1707160"	1012.465585	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+NH4+CF3COOH"	132.026685
"1647186"	1017.42098	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+Na+CF3COOH"	136.98208
"1582840"	1033.39492	"C00528"	"Glycopeptide"	"C36H64N8O17"	"880.4389"	"M+K+CF3COOH"	152.95602
"805549"	110.0368	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M"	0
"976896"	91.01841	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-H2O-H"	-19.01839
"65502"	72.3505906666667	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M-3H"	-3.021828
"518358"	109.029524	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M-3H"	-3.021828
"894179"	35.6716573333333	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-3H"	-3.021828
"14212"	109.029524	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M-2H"	-2.014552
"450491"	164.047924	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M-2H"	-2.014552
"827199"	54.011124	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-2H"	-2.014552
"87190"	219.066324	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M-H"	-1.007276
"522739"	329.103124	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M-H"	-1.007276
"906738"	109.029524	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-H"	-1.007276
"58926"	236.092871	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M-2H+NH4"	16.019271
"499578"	346.129671	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M-2H+NH4"	16.019271
"871915"	126.056071	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-2H+NH4"	16.019271
"37263"	241.048266	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M-2H+Na"	20.974666
"476458"	351.085066	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M-2H+Na"	20.974666
"853167"	131.011466	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-2H+Na"	20.974666
"1620023"	131.011466	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Na-2H"	20.974666
"105425"	127.017863	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M-H+Cl"	33.962126
"536602"	182.036263	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M-H+Cl"	33.962126
"929022"	71.999463	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-H+Cl"	33.962126
"270130"	255.043002	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+Cl"	34.969402
"663283"	365.079802	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+Cl"	34.969402
"1280790"	145.006202	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Cl"	34.969402
"19336"	257.022206	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M-2H+K"	36.948606
"458897"	367.059006	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M-2H+K"	36.948606
"841804"	146.985406	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-2H+K"	36.948606
"1565292"	146.985406	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+K-2H"	36.948606
"952081"	155.034994	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-H+HCOOH"	44.998194
"373577"	265.071801	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+HCOOH-H"	44.998201
"356367"	279.087451	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+Hac-H"	59.013851
"1507023"	169.050651	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Hac-H"	59.013851
"971647"	177.016951	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-H+NaCOOH"	66.980151
"120555"	145.006202	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+2Cl"	69.938804
"551733"	200.024602	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+2Cl"	69.938804
"1030009"	89.987802	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2Cl"	69.938804
"1251773"	188.955685	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Br"	78.918885
"1304738"	191.011672	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Cl+HCOOH"	80.974872
"1320093"	212.993629	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Cl+NaCOOH"	102.956829
"911398"	223.022386	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M-H+CF3COOH"	112.985586
"1299492"	258.999064	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Cl+CF3COOH"	148.962264
"1375466"	75.024124	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H-2H2O"	-35.012676
"1387496"	93.0341	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H-H2O"	-17.0027
"296661"	221.080876	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+H"	1.007276
"688354"	331.117676	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+H"	1.007276
"1358141"	111.044076	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H"	1.007276
"131029"	111.044076	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+2H"	2.014552
"576055"	166.062476	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+2H"	2.014552
"1051414"	56.025676	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2H"	2.014552
"213853"	74.3651426666667	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+3H"	3.021828
"652319"	111.044076	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+3H"	3.021828
"1171538"	37.6862093333333	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+3H"	3.021828
"436633"	238.107423	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+NH4"	18.033823
"795805"	348.144223	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+NH4"	18.033823
"1696030"	128.070623	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+NH4"	18.033823
"341876"	119.5573495	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+H+NH4"	19.041099
"731741"	174.5757495	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+H+NH4"	19.041099
"1485560"	64.5389495	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H+NH4"	19.041099
"400958"	243.062818	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+Na"	22.989218
"763052"	353.099618	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+Na"	22.989218
"1613338"	133.026018	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Na"	22.989218
"322280"	122.035047	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+H+Na"	23.996494
"715796"	177.053447	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+H+Na"	23.996494
"1467428"	67.016647	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H+Na"	23.996494
"1065781"	45.0135233333333	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2H+Na"	25.00377
"1271832"	143.070286	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+CH3OH+H"	33.033486
"384210"	259.036758	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+K"	38.963158
"746299"	369.073558	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+K"	38.963158
"1546165"	148.999958	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+K"	38.963158
"304434"	130.022017	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+H+K"	39.970434
"693574"	185.040417	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+H+K"	39.970434
"1446786"	75.003617	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H+K"	39.970434
"239278"	262.107426	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+ACN+H"	42.033826
"1210283"	152.070626	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+ACN+H"	42.033826
"1194488"	76.538951	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+ACN+2H"	43.041102
"189104"	265.04476	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+2Na-H"	44.97116
"632680"	375.08156	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+2Na-H"	44.97116
"1132664"	155.00796	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2Na-H"	44.97116
"176561"	133.026018	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+2Na"	45.978436
"624513"	188.044418	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+2Na"	45.978436
"1123647"	78.007618	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2Na"	45.978436
"1403890"	52.3408373333333	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H+2Na"	46.985712
"1441474"	157.049546	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H+HCOOH"	47.012746
"227891"	138.05904	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+3H2O+2H"	56.04448
"1512306"	171.10159	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+IsoProp+H"	61.06479
"413450"	141.012988	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+Na+K"	61.952376
"778823"	196.031388	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+Na+K"	61.952376
"1677342"	85.994588	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Na+K"	61.952376
"253655"	284.089368	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+ACN+Na"	64.015768
"1228548"	174.052568	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+ACN+Na"	64.015768
"1715007"	174.076093	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+NH4+HCOOH"	64.039293
"1180606"	59.6681513333333	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+3Na"	68.967654
"1652322"	179.031488	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Na+HCOOH"	68.994688
"157841"	296.99264	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+2K-H"	76.91904
"597645"	407.02944	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+2K-H"	76.91904
"1085318"	186.95584	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2K-H"	76.91904
"151016"	148.999958	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"2M+2K"	77.926316
"589120"	204.018358	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"3M+2K"	77.926316
"1080925"	93.981558	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2K"	77.926316
"1113041"	188.970392	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2K+H"	78.933592
"1342136"	189.058007	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+DMSO+H"	79.021207
"1015039"	193.097176	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2ACN+H"	83.060376
"1534259"	194.090808	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+IsoProp+Na+H"	84.054008
"994146"	97.052226	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+2ACN+2H"	84.067652
"1598491"	195.005428	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+K+HCOOH"	84.968628
"1428161"	225.036938	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+H+CF3COOH"	115.000138
"1157719"	117.565501	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+3ACN+2H"	125.094202
"1707270"	242.063485	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+NH4+CF3COOH"	132.026685
"1646203"	247.01888	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+Na+CF3COOH"	136.98208
"1582950"	262.99282	"C00530"	"Hydroquinone;p-Benzenediol;14-Benzenediol;14-Dihydroxybenzene;Benzene-14-diol;Quinol;4-Hydroxyphenol"	"C6H6O2"	"110.0368"	"M+K+CF3COOH"	152.95602
"806753"	879.1313	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M"	0
"975305"	860.11291	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H2O-H"	-19.01839
"78143"	585.080257333333	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-3H"	-3.021828
"518188"	878.124024	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-3H"	-3.021828
"894655"	292.036490666667	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-3H"	-3.021828
"15414"	878.124024	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H"	-2.014552
"455601"	1317.689674	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H"	-2.014552
"832048"	438.558374	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H"	-2.014552
"90580"	1757.255324	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H"	-1.007276
"527953"	2636.386624	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H"	-1.007276
"911333"	878.124024	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H"	-1.007276
"56850"	1774.281871	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+NH4"	16.019271
"500785"	2653.413171	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+NH4"	16.019271
"872025"	895.150571	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+NH4"	16.019271
"37737"	1779.237266	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+Na"	20.974666
"480577"	2658.368566	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+Na"	20.974666
"854007"	900.105966	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+Na"	20.974666
"1619893"	900.105966	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na-2H"	20.974666
"96789"	896.112363	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H+Cl"	33.962126
"540720"	1335.678013	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H+Cl"	33.962126
"930957"	456.546713	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+Cl"	33.962126
"277169"	1793.232002	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Cl"	34.969402
"672872"	2672.363302	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Cl"	34.969402
"1280901"	914.100702	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl"	34.969402
"24551"	1795.211206	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+K"	36.948606
"469581"	2674.342506	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+K"	36.948606
"843008"	916.079906	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+K"	36.948606
"1567590"	916.079906	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K-2H"	36.948606
"956567"	924.129494	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+HCOOH"	44.998194
"376122"	1803.260801	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+HCOOH-H"	44.998201
"358665"	1817.276451	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Hac-H"	59.013851
"1504216"	938.145151	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Hac-H"	59.013851
"968477"	946.111451	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+NaCOOH"	66.980151
"118479"	914.100702	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Cl"	69.938804
"560225"	1353.666352	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Cl"	69.938804
"1033398"	474.535052	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Cl"	69.938804
"1251883"	958.050185	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Br"	78.918885
"1304404"	960.106172	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+HCOOH"	80.974872
"1320892"	982.088129	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+NaCOOH"	102.956829
"912686"	992.116886	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+CF3COOH"	112.985586
"1291219"	1028.093564	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+CF3COOH"	148.962264
"1375576"	844.118624	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-2H2O"	-35.012676
"1387606"	862.1286	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-H2O"	-17.0027
"290573"	1759.269876	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H"	1.007276
"681901"	2638.401176	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H"	1.007276
"1365178"	880.138576	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H"	1.007276
"134419"	880.138576	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2H"	2.014552
"576165"	1319.704226	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2H"	2.014552
"1041320"	440.572926	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H"	2.014552
"217244"	587.094809333333	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H"	3.021828
"657539"	880.138576	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+3H"	3.021828
"1176390"	294.051042666667	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3H"	3.021828
"437843"	1776.296423	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+NH4"	18.033823
"799928"	2655.427723	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+NH4"	18.033823
"1695777"	897.165123	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4"	18.033823
"338339"	888.6518495	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+NH4"	19.041099
"731852"	1328.2174995	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+NH4"	19.041099
"1485675"	449.0861995	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+NH4"	19.041099
"398885"	1781.251818	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na"	22.989218
"760976"	2660.383118	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na"	22.989218
"1611261"	902.120518	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na"	22.989218
"325674"	891.129547	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+Na"	23.996494
"712628"	1330.695197	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+Na"	23.996494
"1473009"	451.563897	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+Na"	23.996494
"1060787"	301.378356666667	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H+Na"	25.00377
"1269026"	912.164786	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+CH3OH+H"	33.033486
"385413"	1797.225758	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+K"	38.963158
"745316"	2676.357058	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+K"	38.963158
"1540156"	918.094458	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K"	38.963158
"305636"	899.116517	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+K"	39.970434
"693683"	1338.682167	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+K"	39.970434
"1446774"	459.550867	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+K"	39.970434
"237199"	1800.296426	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+H"	42.033826
"1212096"	921.165126	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+H"	42.033826
"1195006"	461.086201	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+2H"	43.041102
"188569"	1803.23376	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na-H"	44.97116
"631698"	2682.36506	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na-H"	44.97116
"1132410"	924.10246	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na-H"	44.97116
"175213"	902.120518	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na"	45.978436
"624623"	1341.686168	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na"	45.978436
"1118653"	462.554868	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na"	45.978436
"1402904"	308.705670666667	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+2Na"	46.985712
"1441584"	926.144046	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+HCOOH"	47.012746
"227998"	907.15354	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H2O+2H"	56.04448
"1513874"	940.19609	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+H"	61.06479
"413924"	910.107488	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na+K"	61.952376
"776014"	1349.673138	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na+K"	61.952376
"1678545"	470.541838	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+K"	61.952376
"254494"	1822.278368	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+Na"	64.015768
"1225699"	943.147068	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+Na"	64.015768
"1719005"	943.170593	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+HCOOH"	64.039293
"1178890"	316.032984666667	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3Na"	68.967654
"1650157"	948.125988	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+HCOOH"	68.994688
"157140"	1835.18164	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K-H"	76.91904
"597184"	2714.31294	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K-H"	76.91904
"1084457"	956.05034	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K-H"	76.91904
"141887"	918.094458	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K"	77.926316
"590323"	1357.660108	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K"	77.926316
"1083968"	478.528808	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K"	77.926316
"1114860"	958.064892	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K+H"	78.933592
"1350631"	958.152507	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+DMSO+H"	79.021207
"1015149"	962.191676	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+H"	83.060376
"1529994"	963.185308	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+Na+H"	84.054008
"997536"	481.599476	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+2H"	84.067652
"1593133"	964.099928	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+HCOOH"	84.968628
"1424260"	994.131438	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+CF3COOH"	115.000138
"1158558"	502.112751	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3ACN+2H"	125.094202
"1707380"	1011.157985	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+CF3COOH"	132.026685
"1643033"	1016.11338	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+CF3COOH"	136.98208
"1583059"	1032.08732	"C00531"	"Itaconyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+CF3COOH"	152.95602
"803583"	152.0685	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M"	0
"974931"	133.05011	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-H2O-H"	-19.01839
"71926"	100.371724	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M-3H"	-3.021828
"513673"	151.061224	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M-3H"	-3.021828
"894395"	49.682224	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-3H"	-3.021828
"15034"	151.061224	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H"	-2.014552
"454353"	227.095474	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H"	-2.014552
"829607"	75.026974	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H"	-2.014552
"85223"	303.129724	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M-H"	-1.007276
"521503"	455.198224	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M-H"	-1.007276
"906959"	151.061224	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-H"	-1.007276
"55867"	320.156271	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H+NH4"	16.019271
"498345"	472.224771	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H+NH4"	16.019271
"872135"	168.087771	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H+NH4"	16.019271
"35294"	325.111666	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H+Na"	20.974666
"480687"	477.180166	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H+Na"	20.974666
"852659"	173.043166	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H+Na"	20.974666
"1621095"	173.043166	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na-2H"	20.974666
"96899"	169.049563	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M-H+Cl"	33.962126
"539737"	245.083813	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M-H+Cl"	33.962126
"931067"	93.015313	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+Cl"	33.962126
"279466"	339.106402	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Cl"	34.969402
"672982"	491.174902	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+Cl"	34.969402
"1281011"	187.037902	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl"	34.969402
"24661"	341.085606	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H+K"	36.948606
"464223"	493.154106	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H+K"	36.948606
"844213"	189.017106	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H+K"	36.948606
"1564420"	189.017106	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+K-2H"	36.948606
"955584"	197.066694	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+HCOOH"	44.998194
"373799"	349.135201	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+HCOOH-H"	44.998201
"351121"	363.150851	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Hac-H"	59.013851
"1501046"	211.082351	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Hac-H"	59.013851
"969681"	219.048651	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+NaCOOH"	66.980151
"122962"	187.037902	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2Cl"	69.938804
"557055"	263.072152	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2Cl"	69.938804
"1030228"	111.003652	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2Cl"	69.938804
"1250900"	230.987385	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Br"	78.918885
"1304225"	233.043372	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl+HCOOH"	80.974872
"1320029"	255.025329	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl+NaCOOH"	102.956829
"913158"	265.054086	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+CF3COOH"	112.985586
"1295338"	301.030764	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl+CF3COOH"	148.962264
"1374592"	117.055824	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H-2H2O"	-35.012676
"1387716"	135.0658	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H-H2O"	-17.0027
"285216"	305.144276	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H"	1.007276
"678731"	457.212776	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H"	1.007276
"1365652"	153.075776	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H"	1.007276
"133436"	153.075776	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2H"	2.014552
"572995"	229.110026	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2H"	2.014552
"1041430"	77.041526	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2H"	2.014552
"217354"	102.386276	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+3H"	3.021828
"654728"	153.075776	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+3H"	3.021828
"1174679"	51.696776	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+3H"	3.021828
"438316"	322.170823	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+NH4"	18.033823
"799431"	474.239323	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+NH4"	18.033823
"1696007"	170.102323	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+NH4"	18.033823
"342824"	161.5890495	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H+NH4"	19.041099
"731962"	237.6232995	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H+NH4"	19.041099
"1486878"	85.5547995	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+NH4"	19.041099
"401543"	327.126218	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Na"	22.989218
"761086"	479.194718	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+Na"	22.989218
"1610277"	175.057718	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na"	22.989218
"321409"	164.066747	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H+Na"	23.996494
"713831"	240.100997	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H+Na"	23.996494
"1473119"	88.032497	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+Na"	23.996494
"1064178"	59.02409	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2H+Na"	25.00377
"1268042"	185.101986	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+CH3OH+H"	33.033486
"383336"	343.100158	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+K"	38.963158
"744333"	495.168658	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+K"	38.963158
"1542371"	191.031658	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+K"	38.963158
"311215"	172.053717	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H+K"	39.970434
"694887"	248.087967	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H+K"	39.970434
"1449801"	96.019467	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+K"	39.970434
"237673"	346.170826	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+ACN+H"	42.033826
"1212206"	194.102326	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+ACN+H"	42.033826
"1198274"	97.554801	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+ACN+2H"	43.041102
"188837"	349.10816	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2Na-H"	44.97116
"631808"	501.17666	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2Na-H"	44.97116
"1133492"	197.03966	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2Na-H"	44.97116
"175323"	175.057718	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2Na"	45.978436
"618172"	251.091968	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2Na"	45.978436
"1118763"	99.023468	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2Na"	45.978436
"1401556"	66.351404	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+2Na"	46.985712
"1435498"	199.081246	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+HCOOH"	47.012746
"224828"	180.09074	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+3H2O+2H"	56.04448
"1511796"	213.13329	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+IsoProp+H"	61.06479
"412212"	183.044688	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Na+K"	61.952376
"774301"	259.078938	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+Na+K"	61.952376
"1674282"	107.010438	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na+K"	61.952376
"253874"	368.152768	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+ACN+Na"	64.015768
"1228041"	216.084268	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+ACN+Na"	64.015768
"1719843"	216.107793	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+NH4+HCOOH"	64.039293
"1178542"	73.678718	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+3Na"	68.967654
"1650708"	221.063188	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na+HCOOH"	68.994688
"157212"	381.05604	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2K-H"	76.91904
"597112"	533.12454	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2K-H"	76.91904
"1084272"	228.98754	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2K-H"	76.91904
"142850"	191.031658	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2K"	77.926316
"592619"	267.065908	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2K"	77.926316
"1084073"	114.997408	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2K"	77.926316
"1115455"	231.002092	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2K+H"	78.933592
"1350903"	231.089707	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+DMSO+H"	79.021207
"1015259"	235.128876	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2ACN+H"	83.060376
"1532290"	236.122508	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+IsoProp+Na+H"	84.054008
"998739"	118.068076	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+2ACN+2H"	84.067652
"1593243"	237.037128	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+K+HCOOH"	84.968628
"1422183"	267.068638	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+CF3COOH"	115.000138
"1155752"	138.581351	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+3ACN+2H"	125.094202
"1705303"	284.095185	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+NH4+CF3COOH"	132.026685
"1640956"	289.05058	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na+CF3COOH"	136.98208
"1583169"	305.02452	"C00532"	"L-Arabitol;L-Arabinol;L-Arabinitol;L-Lyxitol"	"C5H12O5"	"152.0685"	"M+K+CF3COOH"	152.95602
"806973"	29.998	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M"	0
"980508"	10.97961	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-H2O-H"	-19.01839
"70943"	18.9913906666667	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M-3H"	-3.021828
"514877"	28.990724	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M-3H"	-3.021828
"893777"	8.99205733333333	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-3H"	-3.021828
"13447"	28.990724	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M-2H"	-2.014552
"454466"	43.989724	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M-2H"	-2.014552
"831055"	13.991724	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-2H"	-2.014552
"92626"	58.988724	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M-H"	-1.007276
"528176"	88.986724	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M-H"	-1.007276
"908165"	28.990724	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-H"	-1.007276
"61326"	76.015271	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M-2H+NH4"	16.019271
"499425"	106.013271	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M-2H+NH4"	16.019271
"875522"	46.017271	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-2H+NH4"	16.019271
"40144"	80.970666	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M-2H+Na"	20.974666
"479707"	110.968666	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M-2H+Na"	20.974666
"855320"	50.972666	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-2H+Na"	20.974666
"1620842"	50.972666	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Na-2H"	20.974666
"97007"	46.979063	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M-H+Cl"	33.962126
"539849"	61.978063	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M-H+Cl"	33.962126
"933364"	31.980063	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-H+Cl"	33.962126
"278483"	94.965402	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+Cl"	34.969402
"671999"	124.963402	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+Cl"	34.969402
"1282215"	64.967402	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Cl"	34.969402
"24771"	96.944606	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M-2H+K"	36.948606
"464333"	126.942606	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M-2H+K"	36.948606
"845418"	66.946606	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-2H+K"	36.948606
"1566718"	66.946606	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+K-2H"	36.948606
"955694"	74.996194	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-H+HCOOH"	44.998194
"375003"	104.994201	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+HCOOH-H"	44.998201
"360708"	119.009851	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+Hac-H"	59.013851
"1506625"	89.011851	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Hac-H"	59.013851
"973765"	96.978151	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-H+NaCOOH"	66.980151
"125466"	64.967402	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+2Cl"	69.938804
"560448"	79.966402	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+2Cl"	69.938804
"1036587"	49.968402	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2Cl"	69.938804
"1255384"	108.916885	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Br"	78.918885
"1310178"	110.972872	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Cl+HCOOH"	80.974872
"1320180"	132.954829	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Cl+NaCOOH"	102.956829
"911813"	142.983586	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M-H+CF3COOH"	112.985586
"1299823"	178.960264	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Cl+CF3COOH"	148.962264
"1380170"	-5.014676	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H-2H2O"	-35.012676
"1391106"	12.9953	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H-H2O"	-17.0027
"294074"	61.003276	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+H"	1.007276
"683214"	91.001276	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+H"	1.007276
"1363939"	31.005276	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H"	1.007276
"133547"	31.005276	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+2H"	2.014552
"575292"	46.004276	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+2H"	2.014552
"1042998"	16.006276	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2H"	2.014552
"217464"	21.0059426666667	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+3H"	3.021828
"658118"	31.005276	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+3H"	3.021828
"1177589"	11.0066093333333	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+3H"	3.021828
"438552"	78.029823	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+NH4"	18.033823
"800884"	108.027823	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+NH4"	18.033823
"1695756"	48.031823	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+NH4"	18.033823
"345369"	39.5185495	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+H+NH4"	19.041099
"733169"	54.5175495	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+H+NH4"	19.041099
"1486990"	24.5195495	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H+NH4"	19.041099
"402390"	82.985218	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+Na"	22.989218
"757918"	112.983218	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+Na"	22.989218
"1609296"	52.987218	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Na"	22.989218
"324801"	41.996247	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+H+Na"	23.996494
"720509"	56.995247	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+H+Na"	23.996494
"1476148"	26.997247	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H+Na"	23.996494
"1064289"	18.3339233333333	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2H+Na"	25.00377
"1272165"	63.031486	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+CH3OH+H"	33.033486
"387823"	98.959158	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+K"	38.963158
"746628"	128.957158	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+K"	38.963158
"1546493"	68.961158	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+K"	38.963158
"304765"	49.983217	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+H+K"	39.970434
"697186"	64.982217	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+H+K"	39.970434
"1448819"	34.984217	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H+K"	39.970434
"238516"	102.029826	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+ACN+H"	42.033826
"1211223"	72.031826	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+ACN+H"	42.033826
"1194538"	36.519551	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+ACN+2H"	43.041102
"191264"	104.96716	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+2Na-H"	44.97116
"629244"	134.96516	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+2Na-H"	44.97116
"1137248"	74.96916	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2Na-H"	44.97116
"176893"	52.987218	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+2Na"	45.978436
"617188"	67.986218	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+2Na"	45.978436
"1122886"	37.988218	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2Na"	45.978436
"1403857"	25.6612373333333	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H+2Na"	46.985712
"1438526"	77.010746	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H+HCOOH"	47.012746
"226035"	58.02024	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+3H2O+2H"	56.04448
"1518469"	91.06279	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+IsoProp+H"	61.06479
"419250"	60.974188	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+Na+K"	61.952376
"779153"	75.973188	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+Na+K"	61.952376
"1676580"	45.975188	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Na+K"	61.952376
"254716"	124.011768	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+ACN+Na"	64.015768
"1227786"	94.013768	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+ACN+Na"	64.015768
"1713473"	94.037293	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+NH4+HCOOH"	64.039293
"1182399"	32.9885513333333	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+3Na"	68.967654
"1655573"	98.992688	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Na+HCOOH"	68.994688
"160247"	136.91504	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+2K-H"	76.91904
"597252"	166.91304	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+2K-H"	76.91904
"1093069"	106.91704	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2K-H"	76.91904
"154264"	68.961158	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"2M+2K"	77.926316
"592729"	83.960158	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"3M+2K"	77.926316
"1082713"	53.962158	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2K"	77.926316
"1114589"	108.931592	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2K+H"	78.933592
"1346840"	109.019207	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+DMSO+H"	79.021207
"1018645"	113.058376	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2ACN+H"	83.060376
"1536772"	114.052008	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+IsoProp+Na+H"	84.054008
"1002129"	57.032826	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+2ACN+2H"	84.067652
"1595537"	114.966628	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+K+HCOOH"	84.968628
"1422292"	144.998138	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+H+CF3COOH"	115.000138
"1148569"	77.546101	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+3ACN+2H"	125.094202
"1704319"	162.024685	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+NH4+CF3COOH"	132.026685
"1638878"	166.98008	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+Na+CF3COOH"	136.98208
"1583279"	182.95402	"C00533"	"Nitric oxide;NO;Nitrogen monoxide"	"NO"	"29.998"	"M+K+CF3COOH"	152.95602
"810365"	168.0899	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M"	0
"986089"	149.07151	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-H2O-H"	-19.01839
"72146"	111.052657333333	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M-3H"	-3.021828
"514987"	167.082624	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M-3H"	-3.021828
"894616"	55.0226906666667	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-3H"	-3.021828
"14655"	167.082624	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M-2H"	-2.014552
"454942"	251.127574	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M-2H"	-2.014552
"830681"	83.037674	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-2H"	-2.014552
"92010"	335.172524	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M-H"	-1.007276
"532664"	503.262424	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M-H"	-1.007276
"908163"	167.082624	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-H"	-1.007276
"61193"	352.199071	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M-2H+NH4"	16.019271
"501361"	520.288971	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M-2H+NH4"	16.019271
"874541"	184.109171	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-2H+NH4"	16.019271
"44995"	357.154466	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M-2H+Na"	20.974666
"483827"	525.244366	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M-2H+Na"	20.974666
"855432"	189.064566	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-2H+Na"	20.974666
"1627153"	189.064566	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Na-2H"	20.974666
"97121"	185.070963	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M-H+Cl"	33.962126
"539959"	269.115913	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M-H+Cl"	33.962126
"935665"	101.026013	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-H+Cl"	33.962126
"277503"	371.149202	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+Cl"	34.969402
"669925"	539.239102	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+Cl"	34.969402
"1284879"	203.059302	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Cl"	34.969402
"28165"	373.128406	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M-2H+K"	36.948606
"469549"	541.218306	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M-2H+K"	36.948606
"846623"	205.038506	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-2H+K"	36.948606
"1562454"	205.038506	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+K-2H"	36.948606
"953618"	213.088094	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-H+HCOOH"	44.998194
"375479"	381.178001	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+HCOOH-H"	44.998201
"355717"	395.193651	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+Hac-H"	59.013851
"1507101"	227.103751	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Hac-H"	59.013851
"970996"	235.070051	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-H+NaCOOH"	66.980151
"116624"	203.059302	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+2Cl"	69.938804
"555090"	287.104252	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+2Cl"	69.938804
"1024252"	119.014352	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2Cl"	69.938804
"1248934"	247.008785	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Br"	78.918885
"1308105"	249.064772	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Cl+HCOOH"	80.974872
"1320862"	271.046729	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Cl+NaCOOH"	102.956829
"917756"	281.075486	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M-H+CF3COOH"	112.985586
"1303822"	317.052164	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Cl+CF3COOH"	148.962264
"1374813"	133.077224	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H-2H2O"	-35.012676
"1391217"	151.0872	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H-H2O"	-17.0027
"291998"	337.187076	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+H"	1.007276
"682231"	505.276976	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+H"	1.007276
"1364049"	169.097176	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H"	1.007276
"130375"	169.097176	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+2H"	2.014552
"568111"	253.142126	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+2H"	2.014552
"1047486"	85.052226	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2H"	2.014552
"218432"	113.067209333333	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+3H"	3.021828
"659333"	169.097176	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+3H"	3.021828
"1177457"	57.0372426666667	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+3H"	3.021828
"439028"	354.213623	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+NH4"	18.033823
"800508"	522.303523	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+NH4"	18.033823
"1696973"	186.123723	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+NH4"	18.033823
"345600"	177.6104495	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+H+NH4"	19.041099
"733279"	261.6553995	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+H+NH4"	19.041099
"1487100"	93.5654995	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H+NH4"	19.041099
"401407"	359.169018	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+Na"	22.989218
"759121"	527.258918	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+Na"	22.989218
"1609406"	191.079118	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Na"	22.989218
"324911"	180.088147	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+H+Na"	23.996494
"721107"	264.133097	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+H+Na"	23.996494
"1474434"	96.043197	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H+Na"	23.996494
"1068168"	64.3645566666667	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2H+Na"	25.00377
"1269358"	201.123386	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+CH3OH+H"	33.033486
"390120"	375.142958	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+K"	38.963158
"747834"	543.232858	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+K"	38.963158
"1548792"	207.053058	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+K"	38.963158
"305970"	188.075117	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+H+K"	39.970434
"695112"	272.120067	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+H+K"	39.970434
"1448929"	104.030167	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H+K"	39.970434
"239719"	378.213626	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+ACN+H"	42.033826
"1211334"	210.123726	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+ACN+H"	42.033826
"1194971"	105.565501	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+ACN+2H"	43.041102
"190280"	381.15096	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+2Na-H"	44.97116
"634220"	549.24086	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+2Na-H"	44.97116
"1137726"	213.06106	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2Na-H"	44.97116
"179923"	191.079118	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+2Na"	45.978436
"618393"	275.124068	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+2Na"	45.978436
"1121903"	107.034168	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2Na"	45.978436
"1403603"	71.6918706666667	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H+2Na"	46.985712
"1437543"	215.102646	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H+HCOOH"	47.012746
"225413"	196.11214	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+3H2O+2H"	56.04448
"1520765"	229.15469	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+IsoProp+H"	61.06479
"417172"	199.066088	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+Na+K"	61.952376
"779263"	283.111038	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+Na+K"	61.952376
"1674502"	115.021138	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Na+K"	61.952376
"259928"	400.195568	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+ACN+Na"	64.015768
"1227897"	232.105668	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+ACN+Na"	64.015768
"1714961"	232.129193	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+NH4+HCOOH"	64.039293
"1179586"	79.0191846666667	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+3Na"	68.967654
"1654588"	237.084588	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Na+HCOOH"	68.994688
"158164"	413.09884	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+2K-H"	76.91904
"597234"	581.18874	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+2K-H"	76.91904
"1093179"	245.00894	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2K-H"	76.91904
"155467"	207.053058	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"2M+2K"	77.926316
"596491"	291.098008	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"3M+2K"	77.926316
"1082826"	123.008108	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2K"	77.926316
"1114702"	247.023492	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2K+H"	78.933592
"1350110"	247.111107	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+DMSO+H"	79.021207
"1019852"	251.150276	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2ACN+H"	83.060376
"1535790"	252.143908	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+IsoProp+Na+H"	84.054008
"998959"	126.078776	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+2ACN+2H"	84.067652
"1595649"	253.058528	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+K+HCOOH"	84.968628
"1422403"	283.090038	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+H+CF3COOH"	115.000138
"1153785"	146.592051	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+3ACN+2H"	125.094202
"1704430"	300.116585	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+NH4+CF3COOH"	132.026685
"1640083"	305.07198	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+Na+CF3COOH"	136.98208
"1583389"	321.04592	"C00534"	"Pyridoxamine;PM"	"C8H12N2O2"	"168.0899"	"M+K+CF3COOH"	152.95602
"803913"	288.2089	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M"	0
"976353"	269.19051	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"76628"	191.131990666667	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"516190"	287.201624	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"895612"	95.0623573333333	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"15670"	287.201624	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"455419"	431.306074	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"830304"	143.097174	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"92117"	575.410524	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"533378"	863.619424	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"909606"	287.201624	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"61303"	592.437071	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"501594"	880.645971	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"875380"	304.228171	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"45468"	597.392466	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"486247"	885.601366	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"857729"	309.183566	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1623982"	309.183566	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"100511"	305.189963	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"544443"	449.294413	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"936868"	161.085513	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"279800"	611.387202	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"672586"	899.596102	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1285717"	323.178302	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"29004"	613.366406	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"469659"	901.575306	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"843450"	325.157506	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1565844"	325.157506	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"957497"	333.207094	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"376526"	621.416001	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"360448"	635.431651	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1508411"	347.222751	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"972200"	355.189051	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"118921"	323.178302	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"556294"	467.282752	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1026550"	179.073852	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1254511"	367.127785	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1311495"	369.183772	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1324618"	391.165729	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"917866"	401.194486	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1302597"	437.171164	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1381484"	253.196224	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1394607"	271.2062	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"297945"	577.425076	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"688175"	865.633976	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1365987"	289.216176	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"137048"	289.216176	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"572232"	433.320626	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1046503"	145.111726	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"218056"	193.146542666667	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"658227"	289.216176	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1178258"	97.0769093333333	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"439261"	594.451623	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"801271"	882.660523	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1696830"	306.242723	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"344984"	297.7294495	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"736673"	441.8338995	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1486117"	153.6249995	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"402610"	599.407018	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"766522"	887.615918	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1609516"	311.198118	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"325021"	300.207147	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"720729"	444.311597	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1472722"	156.102697	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1067427"	104.404223333333	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1270197"	321.242386	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"385855"	615.380958	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"744664"	903.589858	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1543434"	327.172058	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"306079"	308.194117	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"696315"	452.298567	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1447946"	164.089667	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"237642"	618.451626	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1211566"	330.242726	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1194718"	165.625001	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"190633"	621.38896	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"630682"	909.59786	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1135648"	333.18006	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"180033"	311.198118	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"623970"	455.302568	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1123103"	167.093668	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1409909"	111.731537333333	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1434734"	335.221646	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"228440"	316.23114	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1517594"	349.27369	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"419470"	319.185088	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"781560"	463.289538	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1677892"	175.080638	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"262225"	640.433568	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1231287"	352.224668	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1715800"	352.248193	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1184801"	119.058851333333	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1651778"	357.203588	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"160464"	653.33684	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"597712"	941.54574	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1087821"	365.12794	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"156187"	327.172058	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"595990"	471.276508	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1082815"	183.067608	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1112866"	367.142492	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1344873"	367.230107	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1018868"	371.269276	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1536993"	372.262908	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"1002349"	186.138276	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1594666"	373.177528	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1425793"	403.209038	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1157175"	206.651551	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1702353"	420.235585	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1639100"	425.19098	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1583499"	441.16492	"C00535"	"Testosterone;17beta-Hydroxy-4-androsten-3-one"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"807303"	257.9096	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M"	0
"976099"	238.89121	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-H2O-H"	-19.01839
"73459"	170.932457333333	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M-3H"	-3.021828
"516300"	256.902324	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M-3H"	-3.021828
"894838"	84.9625906666667	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-3H"	-3.021828
"15360"	256.902324	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M-2H"	-2.014552
"455207"	385.857124	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M-2H"	-2.014552
"830047"	127.947524	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-2H"	-2.014552
"90040"	514.811924	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M-H"	-1.007276
"533125"	772.721524	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M-H"	-1.007276
"909839"	256.902324	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-H"	-1.007276
"61171"	531.838471	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M-2H+NH4"	16.019271
"501825"	789.748071	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M-2H+NH4"	16.019271
"879777"	273.928871	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-2H+NH4"	16.019271
"45214"	536.793866	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M-2H+Na"	20.974666
"487067"	794.703466	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M-2H+Na"	20.974666
"858933"	278.884266	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-2H+Na"	20.974666
"1628465"	278.884266	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Na-2H"	20.974666
"102808"	274.890663	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M-H+Cl"	33.962126
"546740"	403.845463	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M-H+Cl"	33.962126
"940258"	145.935863	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-H+Cl"	33.962126
"281369"	550.788602	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+Cl"	34.969402
"675006"	808.698202	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+Cl"	34.969402
"1286194"	292.879002	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Cl"	34.969402
"28750"	552.767806	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M-2H+K"	36.948606
"470499"	810.677406	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M-2H+K"	36.948606
"845747"	294.858206	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-2H+K"	36.948606
"1569235"	294.858206	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+K-2H"	36.948606
"958014"	302.907794	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-H+HCOOH"	44.998194
"377081"	560.817401	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+HCOOH-H"	44.998201
"361047"	574.833051	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+Hac-H"	59.013851
"1508389"	316.923451	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Hac-H"	59.013851
"973853"	324.889751	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-H+NaCOOH"	66.980151
"119031"	292.879002	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+2Cl"	69.938804
"562964"	421.833802	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+2Cl"	69.938804
"1027390"	163.924202	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2Cl"	69.938804
"1254622"	336.828485	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Br"	78.918885
"1305769"	338.884472	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Cl+HCOOH"	80.974872
"1323999"	360.866429	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Cl+NaCOOH"	102.956829
"917976"	370.895186	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M-H+CF3COOH"	112.985586
"1297966"	406.871864	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Cl+CF3COOH"	148.962264
"1377220"	222.896924	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H-2H2O"	-35.012676
"1395811"	240.9069	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H-H2O"	-17.0027
"297327"	516.826476	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+H"	1.007276
"690715"	774.736076	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+H"	1.007276
"1366099"	258.916876	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H"	1.007276
"138251"	258.916876	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+2H"	2.014552
"574530"	387.871676	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+2H"	2.014552
"1047702"	129.962076	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2H"	2.014552
"213418"	172.947009333333	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+3H"	3.021828
"659391"	258.916876	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+3H"	3.021828
"1178162"	86.9771426666667	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+3H"	3.021828
"439693"	533.853023	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+NH4"	18.033823
"801323"	791.762623	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+NH4"	18.033823
"1696890"	275.943423	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+NH4"	18.033823
"345614"	267.4301495	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+H+NH4"	19.041099
"736782"	396.3849495	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+H+NH4"	19.041099
"1485134"	138.4753495	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H+NH4"	19.041099
"399439"	538.808418	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+Na"	22.989218
"758248"	796.718018	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+Na"	22.989218
"1606346"	280.898818	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Na"	22.989218
"325131"	269.907847	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+H+Na"	23.996494
"721082"	398.862647	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+H+Na"	23.996494
"1473196"	140.953047	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H+Na"	23.996494
"1066442"	94.3044566666667	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2H+Na"	25.00377
"1270307"	290.943086	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+CH3OH+H"	33.033486
"385967"	554.782358	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+K"	38.963158
"746961"	812.691958	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+K"	38.963158
"1545731"	296.872758	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+K"	38.963158
"306189"	277.894817	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+H+K"	39.970434
"697516"	406.849617	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+H+K"	39.970434
"1448056"	148.940017	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H+K"	39.970434
"237386"	557.853026	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+ACN+H"	42.033826
"1211916"	299.943426	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+ACN+H"	42.033826
"1197622"	150.475351	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+ACN+2H"	43.041102
"190499"	560.79036	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+2Na-H"	44.97116
"630790"	818.69996	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+2Na-H"	44.97116
"1137944"	302.88076	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2Na-H"	44.97116
"179414"	280.898818	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+2Na"	45.978436
"625173"	409.853618	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+2Na"	45.978436
"1127587"	151.944018	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2Na"	45.978436
"1408926"	101.631770666667	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H+2Na"	46.985712
"1437760"	304.922346	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H+HCOOH"	47.012746
"225634"	285.93184	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+3H2O+2H"	56.04448
"1514424"	318.97439	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+IsoProp+H"	61.06479
"419580"	288.885788	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+Na+K"	61.952376
"775836"	417.840588	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+Na+K"	61.952376
"1674722"	159.930988	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Na+K"	61.952376
"260148"	579.834968	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+ACN+Na"	64.015768
"1233948"	321.925368	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+ACN+Na"	64.015768
"1716276"	321.948893	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+NH4+HCOOH"	64.039293
"1184911"	108.959084666667	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+3Na"	68.967654
"1652373"	326.904288	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Na+HCOOH"	68.994688
"160574"	592.73824	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+2K-H"	76.91904
"598676"	850.64784	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+2K-H"	76.91904
"1091211"	334.82864	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2K-H"	76.91904
"156663"	296.872758	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"2M+2K"	77.926316
"595127"	425.827558	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"3M+2K"	77.926316
"1083171"	167.917958	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2K"	77.926316
"1115167"	336.843192	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2K+H"	78.933592
"1347171"	336.930807	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+DMSO+H"	79.021207
"1021053"	340.969976	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2ACN+H"	83.060376
"1539174"	341.963608	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+IsoProp+Na+H"	84.054008
"1004526"	170.988626	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+2ACN+2H"	84.067652
"1598056"	342.878228	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+K+HCOOH"	84.968628
"1428091"	372.909738	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+H+CF3COOH"	115.000138
"1160565"	191.501901	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+3ACN+2H"	125.094202
"1705743"	389.936285	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+NH4+CF3COOH"	132.026685
"1643583"	394.89168	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+Na+CF3COOH"	136.98208
"1583609"	410.86562	"C00536"	"Triphosphate;Triphosphoric acid;Tripolyphosphate;Inorganic triphosphate"	"H5P3O10"	"257.9096"	"M+K+CF3COOH"	152.95602
"801620"	122.0368	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M"	0
"976087"	103.01841	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-H2O-H"	-19.01839
"63038"	80.3505906666667	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M-3H"	-3.021828
"517506"	121.029524	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M-3H"	-3.021828
"894578"	39.6716573333333	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-3H"	-3.021828
"15584"	121.029524	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M-2H"	-2.014552
"455278"	182.047924	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M-2H"	-2.014552
"832591"	60.011124	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-2H"	-2.014552
"92944"	243.066324	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M-H"	-1.007276
"532505"	365.103124	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M-H"	-1.007276
"910718"	121.029524	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-H"	-1.007276
"62706"	260.092871	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M-2H+NH4"	16.019271
"501692"	382.129671	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M-2H+NH4"	16.019271
"878642"	138.056071	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-2H+NH4"	16.019271
"46178"	265.048266	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M-2H+Na"	20.974666
"481241"	387.085066	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M-2H+Na"	20.974666
"864118"	143.011466	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-2H+Na"	20.974666
"1634007"	143.011466	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Na-2H"	20.974666
"107291"	139.017863	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M-H+Cl"	33.962126
"547944"	200.036263	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M-H+Cl"	33.962126
"942193"	77.999463	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-H+Cl"	33.962126
"282088"	279.043002	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+Cl"	34.969402
"672442"	401.079802	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+Cl"	34.969402
"1288216"	157.006202	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Cl"	34.969402
"31417"	281.022206	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M-2H+K"	36.948606
"471020"	403.059006	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M-2H+K"	36.948606
"847684"	158.985406	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-2H+K"	36.948606
"1569350"	158.985406	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+K-2H"	36.948606
"958419"	167.034994	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-H+HCOOH"	44.998194
"377083"	289.071801	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+HCOOH-H"	44.998201
"360957"	303.087451	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+Hac-H"	59.013851
"1508294"	181.050651	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Hac-H"	59.013851
"972423"	189.016951	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-H+NaCOOH"	66.980151
"119141"	157.006202	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+2Cl"	69.938804
"563075"	218.024602	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+2Cl"	69.938804
"1028592"	95.987802	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2Cl"	69.938804
"1248171"	200.955685	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Br"	78.918885
"1312809"	203.011672	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Cl+HCOOH"	80.974872
"1322653"	224.993629	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Cl+NaCOOH"	102.956829
"916992"	235.022386	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M-H+CF3COOH"	112.985586
"1292607"	270.999064	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Cl+CF3COOH"	148.962264
"1377331"	87.024124	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H-2H2O"	-35.012676
"1393732"	105.0341	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H-H2O"	-17.0027
"298485"	245.080876	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+H"	1.007276
"690589"	367.117676	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+H"	1.007276
"1362192"	123.044076	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H"	1.007276
"139456"	123.044076	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+2H"	2.014552
"571361"	184.062476	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+2H"	2.014552
"1043440"	62.025676	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2H"	2.014552
"214622"	82.3651426666667	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+3H"	3.021828
"658929"	123.044076	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+3H"	3.021828
"1177784"	41.6862093333333	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+3H"	3.021828
"438750"	262.107423	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+NH4"	18.033823
"800228"	384.144223	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+NH4"	18.033823
"1695100"	140.070623	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+NH4"	18.033823
"342285"	131.5573495	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+H+NH4"	19.041099
"733611"	192.5757495	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+H+NH4"	19.041099
"1485244"	70.5389495	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H+NH4"	19.041099
"396269"	267.062818	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+Na"	22.989218
"763826"	389.099618	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+Na"	22.989218
"1604390"	145.026018	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Na"	22.989218
"320868"	134.035047	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+H+Na"	23.996494
"720944"	195.053447	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+H+Na"	23.996494
"1473670"	73.016647	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H+Na"	23.996494
"1059262"	49.0135233333333	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2H+Na"	25.00377
"1260940"	155.070286	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+CH3OH+H"	33.033486
"381701"	283.036758	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+K"	38.963158
"744884"	405.073558	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+K"	38.963158
"1542925"	160.999958	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+K"	38.963158
"300830"	142.022017	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+H+K"	39.970434
"691447"	203.040417	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+H+K"	39.970434
"1445725"	81.003617	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H+K"	39.970434
"235951"	286.107426	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+ACN+H"	42.033826
"1210192"	164.070626	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+ACN+H"	42.033826
"1194370"	82.538951	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+ACN+2H"	43.041102
"188744"	289.04476	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+2Na-H"	44.97116
"629078"	411.08156	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+2Na-H"	44.97116
"1134774"	167.00796	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2Na-H"	44.97116
"181351"	145.026018	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+2Na"	45.978436
"619820"	206.044418	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+2Na"	45.978436
"1124422"	84.007618	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2Na"	45.978436
"1402476"	56.3408373333333	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H+2Na"	46.985712
"1438966"	169.049546	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H+HCOOH"	47.012746
"228661"	150.05904	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+3H2O+2H"	56.04448
"1518909"	183.10159	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+IsoProp+H"	61.06479
"415315"	153.012988	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+Na+K"	61.952376
"779595"	214.031388	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+Na+K"	61.952376
"1672645"	91.994588	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Na+K"	61.952376
"256977"	308.089368	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+ACN+Na"	64.015768
"1226774"	186.052568	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+ACN+Na"	64.015768
"1714566"	186.076093	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+NH4+HCOOH"	64.039293
"1181375"	63.6681513333333	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+3Na"	68.967654
"1652729"	191.031488	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Na+HCOOH"	68.994688
"159593"	320.99264	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+2K-H"	76.91904
"610092"	443.02944	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+2K-H"	76.91904
"1093511"	198.95584	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2K-H"	76.91904
"157027"	160.999958	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"2M+2K"	77.926316
"596780"	222.018358	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"3M+2K"	77.926316
"1083930"	99.981558	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2K"	77.926316
"1115489"	200.970392	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2K+H"	78.933592
"1349348"	201.058007	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+DMSO+H"	79.021207
"1021171"	205.097176	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2ACN+H"	83.060376
"1539805"	206.090808	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+IsoProp+Na+H"	84.054008
"1005372"	103.052226	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+2ACN+2H"	84.067652
"1602674"	207.005428	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+K+HCOOH"	84.968628
"1426014"	237.036938	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+H+CF3COOH"	115.000138
"1157395"	123.565501	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+3ACN+2H"	125.094202
"1705853"	254.063485	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+NH4+CF3COOH"	132.026685
"1642601"	259.01888	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+Na+CF3COOH"	136.98208
"1583719"	274.99282	"C00539"	"Aromatic acid;Aromatic carboxylic acid"	"C7H6O2"	"122.0368"	"M+K+CF3COOH"	152.95602
"804244"	897.1571	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M"	0
"977777"	878.13871	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-H2O-H"	-19.01839
"63465"	597.097457333333	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M-3H"	-3.021828
"517738"	896.149824	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M-3H"	-3.021828
"888854"	298.045090666667	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-3H"	-3.021828
"11804"	896.149824	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M-2H"	-2.014552
"454892"	1344.728374	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M-2H"	-2.014552
"831361"	447.571274	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-2H"	-2.014552
"90989"	1793.306924	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M-H"	-1.007276
"532249"	2690.464024	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M-H"	-1.007276
"910659"	896.149824	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-H"	-1.007276
"60660"	1810.333471	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M-2H+NH4"	16.019271
"496090"	2707.490571	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M-2H+NH4"	16.019271
"872798"	913.176371	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-2H+NH4"	16.019271
"37418"	1815.288866	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M-2H+Na"	20.974666
"481351"	2712.445966	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M-2H+Na"	20.974666
"859153"	918.131766	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-2H+Na"	20.974666
"1627593"	918.131766	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Na-2H"	20.974666
"103026"	914.138163	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M-H+Cl"	33.962126
"545866"	1362.716713	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M-H+Cl"	33.962126
"940479"	465.559613	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-H+Cl"	33.962126
"280860"	1829.283602	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+Cl"	34.969402
"673281"	2726.440702	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+Cl"	34.969402
"1288363"	932.126502	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Cl"	34.969402
"31043"	1831.262806	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M-2H+K"	36.948606
"471344"	2728.419906	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M-2H+K"	36.948606
"847794"	934.105706	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-2H+K"	36.948606
"1568730"	934.105706	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+K-2H"	36.948606
"957831"	942.155294	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-H+HCOOH"	44.998194
"375193"	1839.312401	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+HCOOH-H"	44.998201
"360172"	1853.328051	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+Hac-H"	59.013851
"1508386"	956.170951	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Hac-H"	59.013851
"971436"	964.137251	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-H+NaCOOH"	66.980151
"117064"	932.126502	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+2Cl"	69.938804
"563914"	1380.705052	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+2Cl"	69.938804
"1024694"	483.547952	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2Cl"	69.938804
"1243907"	976.075985	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Br"	78.918885
"1307452"	978.131972	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Cl+HCOOH"	80.974872
"1320210"	1000.113929	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Cl+NaCOOH"	102.956829
"914915"	1010.142686	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M-H+CF3COOH"	112.985586
"1289437"	1046.119364	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Cl+CF3COOH"	148.962264
"1377441"	862.144424	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H-2H2O"	-35.012676
"1393842"	880.1544	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H-H2O"	-17.0027
"297913"	1795.321476	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+H"	1.007276
"689970"	2692.478576	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+H"	1.007276
"1362302"	898.164376	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H"	1.007276
"139566"	898.164376	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+2H"	2.014552
"569284"	1346.742926	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+2H"	2.014552
"1041362"	449.585826	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2H"	2.014552
"208172"	599.112009333333	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+3H"	3.021828
"659684"	898.164376	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+3H"	3.021828
"1177894"	300.059642666667	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+3H"	3.021828
"439222"	1812.348023	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+NH4"	18.033823
"799971"	2709.505123	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+NH4"	18.033823
"1694843"	915.190923	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+NH4"	18.033823
"339114"	906.6776495	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+H+NH4"	19.041099
"728254"	1355.2561995	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+H+NH4"	19.041099
"1483167"	458.0990995	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H+NH4"	19.041099
"396379"	1817.303418	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+Na"	22.989218
"761749"	2714.460518	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+Na"	22.989218
"1607658"	920.146318	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Na"	22.989218
"318791"	909.155347	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+H+Na"	23.996494
"710482"	1357.733897	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+H+Na"	23.996494
"1471593"	460.576797	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H+Na"	23.996494
"1059372"	307.386956666667	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2H+Na"	25.00377
"1261049"	930.190586	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+CH3OH+H"	33.033486
"380350"	1833.277358	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+K"	38.963158
"740981"	2730.434458	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+K"	38.963158
"1541577"	936.120258	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+K"	38.963158
"299239"	917.142317	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+H+K"	39.970434
"692636"	1365.720867	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+H+K"	39.970434
"1445963"	468.563767	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H+K"	39.970434
"236141"	1836.348026	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+ACN+H"	42.033826
"1210144"	939.190926	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+ACN+H"	42.033826
"1194846"	470.099101	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+ACN+2H"	43.041102
"189258"	1839.28536	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+2Na-H"	44.97116
"629551"	2736.44246	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+2Na-H"	44.97116
"1133425"	942.12826	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2Na-H"	44.97116
"174896"	920.146318	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+2Na"	45.978436
"616283"	1368.724868	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+2Na"	45.978436
"1118697"	471.567768	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2Na"	45.978436
"1401124"	314.714270666667	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H+2Na"	46.985712
"1430684"	944.169846	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H+HCOOH"	47.012746
"221113"	925.17934	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+3H2O+2H"	56.04448
"1510632"	958.22189	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+IsoProp+H"	61.06479
"409586"	928.133288	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+Na+K"	61.952376
"776425"	1376.711838	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+Na+K"	61.952376
"1670569"	479.554738	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Na+K"	61.952376
"253804"	1858.329968	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+ACN+Na"	64.015768
"1226152"	961.172868	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+ACN+Na"	64.015768
"1714308"	961.196393	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+NH4+HCOOH"	64.039293
"1178526"	322.041584666667	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+3Na"	68.967654
"1649962"	966.151788	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Na+HCOOH"	68.994688
"157178"	1871.23324	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+2K-H"	76.91904
"609109"	2768.39034	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+2K-H"	76.91904
"1092527"	974.07614	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2K-H"	76.91904
"156999"	936.120258	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"2M+2K"	77.926316
"597037"	1384.698808	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"3M+2K"	77.926316
"1084153"	487.541708	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2K"	77.926316
"1115610"	976.090692	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2K+H"	78.933592
"1350676"	976.178307	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+DMSO+H"	79.021207
"1021301"	980.217476	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2ACN+H"	83.060376
"1539599"	981.211108	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+IsoProp+Na+H"	84.054008
"1005116"	490.612376	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+2ACN+2H"	84.067652
"1600835"	982.125728	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+K+HCOOH"	84.968628
"1426124"	1012.157238	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+H+CF3COOH"	115.000138
"1157506"	511.125651	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+3ACN+2H"	125.094202
"1703776"	1029.183785	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+NH4+CF3COOH"	132.026685
"1642711"	1034.13918	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+Na+CF3COOH"	136.98208
"1583829"	1050.11312	"C00540"	"Cinnamoyl-CoA;S-(Cinnamoyl) coenzyme A"	"C30H42N7O17P3S"	"897.1571"	"M+K+CF3COOH"	152.95602
"804354"	1328.5643	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M"	0
"977888"	1309.54591	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-H2O-H"	-19.01839
"65035"	884.702257333333	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M-3H"	-3.021828
"517362"	1327.557024	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M-3H"	-3.021828
"888964"	441.847490666667	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-3H"	-3.021828
"12280"	1327.557024	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M-2H"	-2.014552
"453909"	1991.839174	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M-2H"	-2.014552
"831350"	663.274874	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-2H"	-2.014552
"90370"	2656.121324	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M-H"	-1.007276
"529931"	3984.685624	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M-H"	-1.007276
"909677"	1327.557024	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-H"	-1.007276
"58824"	2673.147871	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M-2H+NH4"	16.019271
"496200"	4001.712171	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M-2H+NH4"	16.019271
"876188"	1344.583571	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-2H+NH4"	16.019271
"40808"	2678.103266	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M-2H+Na"	20.974666
"481461"	4006.667566	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M-2H+Na"	20.974666
"861450"	1349.538966	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-2H+Na"	20.974666
"1632077"	1349.538966	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Na-2H"	20.974666
"102044"	1345.545363	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M-H+Cl"	33.962126
"541604"	2009.827513	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M-H+Cl"	33.962126
"940225"	681.263213	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-H+Cl"	33.962126
"280242"	2692.098002	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+Cl"	34.969402
"673391"	4020.662302	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+Cl"	34.969402
"1288106"	1363.533702	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Cl"	34.969402
"30547"	2694.077206	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M-2H+K"	36.948606
"470715"	4022.641506	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M-2H+K"	36.948606
"846082"	1365.512906	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-2H+K"	36.948606
"1569570"	1365.512906	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+K-2H"	36.948606
"958183"	1373.562494	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-H+HCOOH"	44.998194
"376034"	2702.126801	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+HCOOH-H"	44.998201
"360889"	2716.142451	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+Hac-H"	59.013851
"1508068"	1387.578151	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Hac-H"	59.013851
"970455"	1395.544451	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-H+NaCOOH"	66.980151
"119361"	1363.533702	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+2Cl"	69.938804
"564026"	2027.815852	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+2Cl"	69.938804
"1023711"	699.251552	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2Cl"	69.938804
"1244018"	1407.483185	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Br"	78.918885
"1307562"	1409.539172	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Cl+HCOOH"	80.974872
"1321656"	1431.521129	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Cl+NaCOOH"	102.956829
"913080"	1441.549886	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M-H+CF3COOH"	112.985586
"1290640"	1477.526564	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Cl+CF3COOH"	148.962264
"1377551"	1293.551624	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H-2H2O"	-35.012676
"1388485"	1311.5616	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H-H2O"	-17.0027
"297659"	2658.135876	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+H"	1.007276
"689713"	3986.700176	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+H"	1.007276
"1362412"	1329.571576	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H"	1.007276
"137491"	1329.571576	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+2H"	2.014552
"570487"	1993.853726	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+2H"	2.014552
"1041472"	665.289426	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2H"	2.014552
"208282"	886.716809333333	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+3H"	3.021828
"658781"	1329.571576	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+3H"	3.021828
"1178128"	443.862042666667	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+3H"	3.021828
"439456"	2675.162423	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+NH4"	18.033823
"800081"	4003.726723	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+NH4"	18.033823
"1694953"	1346.598123	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+NH4"	18.033823
"338131"	1338.0848495	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+H+NH4"	19.041099
"730551"	2002.3669995	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+H+NH4"	19.041099
"1483277"	673.8026995	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H+NH4"	19.041099
"395395"	2680.117818	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+Na"	22.989218
"758579"	4008.682118	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+Na"	22.989218
"1607768"	1351.553518	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Na"	22.989218
"318901"	1340.562547	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+H+Na"	23.996494
"711321"	2004.844697	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+H+Na"	23.996494
"1470610"	676.280397	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H+Na"	23.996494
"1059482"	451.189356666667	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2H+Na"	25.00377
"1260065"	1361.597786	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+CH3OH+H"	33.033486
"383011"	2696.091758	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+K"	38.963158
"740726"	4024.656058	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+K"	38.963158
"1543874"	1367.527458	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+K"	38.963158
"299956"	1348.549517	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+H+K"	39.970434
"692868"	2012.831667	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+H+K"	39.970434
"1445953"	684.267367	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H+K"	39.970434
"238807"	2699.162426	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+ACN+H"	42.033826
"1209956"	1370.598126	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+ACN+H"	42.033826
"1194462"	685.802701	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+ACN+2H"	43.041102
"188711"	2702.09976	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+2Na-H"	44.97116
"629534"	4030.66406	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+2Na-H"	44.97116
"1133897"	1373.53546	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2Na-H"	44.97116
"176829"	1351.553518	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+2Na"	45.978436
"614569"	2015.835668	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+2Na"	45.978436
"1117711"	687.271368	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2Na"	45.978436
"1400870"	458.516670666667	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H+2Na"	46.985712
"1430795"	1375.577046	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H+HCOOH"	47.012746
"222312"	1356.58654	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+3H2O+2H"	56.04448
"1511107"	1389.62909	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+IsoProp+H"	61.06479
"410062"	1359.540488	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+Na+K"	61.952376
"772522"	2023.822638	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+Na+K"	61.952376
"1667029"	695.258338	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Na+K"	61.952376
"251641"	2721.144368	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+ACN+Na"	64.015768
"1226261"	1392.580068	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+ACN+Na"	64.015768
"1712956"	1392.603593	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+NH4+HCOOH"	64.039293
"1178744"	465.843984666667	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+3Na"	68.967654
"1650097"	1397.558988	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Na+HCOOH"	68.994688
"157984"	2734.04764	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+2K-H"	76.91904
"607032"	4062.61194	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+2K-H"	76.91904
"1091908"	1405.48334	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2K-H"	76.91904
"156020"	1367.527458	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"2M+2K"	77.926316
"595459"	2031.809608	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"3M+2K"	77.926316
"1083786"	703.245308	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2K"	77.926316
"1114886"	1407.497892	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2K+H"	78.933592
"1349206"	1407.585507	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+DMSO+H"	79.021207
"1021328"	1411.624676	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2ACN+H"	83.060376
"1539711"	1412.618308	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+IsoProp+Na+H"	84.054008
"1005106"	706.315976	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+2ACN+2H"	84.067652
"1600580"	1413.532928	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+K+HCOOH"	84.968628
"1427327"	1443.564438	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+H+CF3COOH"	115.000138
"1159803"	726.829251	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+3ACN+2H"	125.094202
"1704980"	1460.590985	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+NH4+CF3COOH"	132.026685
"1642821"	1465.54638	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+Na+CF3COOH"	136.98208
"1577378"	1481.52032	"C00541"	"Cob(II)alamin;Vitamin B12r"	"C62H88CoN13O14P"	"1328.5643"	"M+K+CF3COOH"	152.95602
"804464"	222.0674	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M"	0
"979091"	203.04901	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H2O-H"	-19.01839
"66238"	147.037657333333	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-3H"	-3.021828
"517108"	221.060124	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-3H"	-3.021828
"887981"	73.0151906666667	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-3H"	-3.021828
"12390"	221.060124	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H"	-2.014552
"454626"	332.093824	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H"	-2.014552
"831581"	110.026424	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H"	-2.014552
"89387"	443.127524	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-H"	-1.007276
"530041"	665.194924	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-H"	-1.007276
"910270"	221.060124	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H"	-1.007276
"60027"	460.154071	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H+NH4"	16.019271
"493030"	682.221471	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H+NH4"	16.019271
"876177"	238.086671	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H+NH4"	16.019271
"40918"	465.109466	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H+Na"	20.974666
"481571"	687.176866	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H+Na"	20.974666
"858280"	243.042066	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H+Na"	20.974666
"1631094"	243.042066	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na-2H"	20.974666
"98873"	239.048463	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-H+Cl"	33.962126
"541714"	350.082163	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-H+Cl"	33.962126
"931948"	128.014763	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+Cl"	33.962126
"278165"	479.104202	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Cl"	34.969402
"670583"	701.171602	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+Cl"	34.969402
"1286271"	257.036802	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl"	34.969402
"27732"	481.083406	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H+K"	36.948606
"469844"	703.150806	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H+K"	36.948606
"842908"	259.016006	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H+K"	36.948606
"1566397"	259.016006	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K-2H"	36.948606
"952092"	267.065594	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+HCOOH"	44.998194
"375410"	489.133001	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+HCOOH-H"	44.998201
"358928"	503.148651	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Hac-H"	59.013851
"1506915"	281.081251	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Hac-H"	59.013851
"973359"	289.047551	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+NaCOOH"	66.980151
"122386"	257.036802	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2Cl"	69.938804
"563039"	368.070502	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2Cl"	69.938804
"1032203"	146.003102	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2Cl"	69.938804
"1246311"	300.986285	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Br"	78.918885
"1305484"	303.042272	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl+HCOOH"	80.974872
"1322982"	325.024229	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl+NaCOOH"	102.956829
"916227"	335.052986	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+CF3COOH"	112.985586
"1292936"	371.029664	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl+CF3COOH"	148.962264
"1378390"	187.054724	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H-2H2O"	-35.012676
"1388595"	205.0647	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H-H2O"	-17.0027
"296311"	445.142076	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H"	1.007276
"688725"	667.209476	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H"	1.007276
"1360335"	223.074676	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H"	1.007276
"138329"	223.074676	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2H"	2.014552
"568409"	334.108376	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2H"	2.014552
"1041217"	112.040976	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2H"	2.014552
"209485"	149.052209333333	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+3H"	3.021828
"656700"	223.074676	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+3H"	3.021828
"1173734"	75.0297426666667	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+3H"	3.021828
"439438"	462.168623	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+NH4"	18.033823
"801084"	684.236023	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+NH4"	18.033823
"1692145"	240.101223	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+NH4"	18.033823
"338238"	231.5879495	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H+NH4"	19.041099
"732846"	342.6216495	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H+NH4"	19.041099
"1485573"	120.5542495	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+NH4"	19.041099
"398784"	467.124018	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Na"	22.989218
"759782"	689.191418	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+Na"	22.989218
"1606785"	245.056618	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na"	22.989218
"320104"	234.065647	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H+Na"	23.996494
"711431"	345.099347	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H+Na"	23.996494
"1471813"	123.031947	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+Na"	23.996494
"1060685"	82.3570566666667	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2H+Na"	25.00377
"1263455"	255.100886	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+CH3OH+H"	33.033486
"383121"	483.097958	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+K"	38.963158
"740836"	705.165358	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+K"	38.963158
"1542160"	261.030558	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K"	38.963158
"300066"	242.052617	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H+K"	39.970434
"692857"	353.086317	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H+K"	39.970434
"1446064"	131.018917	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+K"	39.970434
"237095"	486.168626	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+ACN+H"	42.033826
"1210285"	264.101226	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+ACN+H"	42.033826
"1194330"	132.554251	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+ACN+2H"	43.041102
"188671"	489.10596	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2Na-H"	44.97116
"629158"	711.17336	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2Na-H"	44.97116
"1135099"	267.03856	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2Na-H"	44.97116
"175477"	245.056618	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2Na"	45.978436
"616503"	356.090318	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2Na"	45.978436
"1117578"	134.022918	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2Na"	45.978436
"1402077"	89.6843706666667	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+2Na"	46.985712
"1433459"	269.080146	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+HCOOH"	47.012746
"223153"	250.08964	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+3H2O+2H"	56.04448
"1512676"	283.13219	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+H"	61.06479
"413456"	253.043588	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Na+K"	61.952376
"774457"	364.077288	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+Na+K"	61.952376
"1667502"	142.009888	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na+K"	61.952376
"253288"	508.150568	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+ACN+Na"	64.015768
"1226611"	286.083168	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+ACN+Na"	64.015768
"1712804"	286.106693	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+NH4+HCOOH"	64.039293
"1178695"	97.0116846666667	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+3Na"	68.967654
"1650171"	291.062088	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na+HCOOH"	68.994688
"157566"	521.05384	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2K-H"	76.91904
"607142"	743.12124	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2K-H"	76.91904
"1092747"	298.98644	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2K-H"	76.91904
"156256"	261.030558	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2K"	77.926316
"595815"	372.064258	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2K"	77.926316
"1083978"	149.996858	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2K"	77.926316
"1115000"	301.000992	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2K+H"	78.933592
"1349558"	301.088607	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+DMSO+H"	79.021207
"1020966"	305.127776	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2ACN+H"	83.060376
"1539009"	306.121408	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+Na+H"	84.054008
"1004607"	153.067526	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2ACN+2H"	84.067652
"1602148"	307.036028	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K+HCOOH"	84.968628
"1425251"	337.067538	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+CF3COOH"	115.000138
"1158820"	173.580801	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+3ACN+2H"	125.094202
"1705090"	354.094085	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+NH4+CF3COOH"	132.026685
"1642931"	359.04948	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na+CF3COOH"	136.98208
"1577488"	375.02342	"C00542"	"Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K+CF3COOH"	152.95602
"803480"	45.0578	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M"	0
"979201"	26.03941	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-H2O-H"	-19.01839
"62856"	29.0312573333333	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M-3H"	-3.021828
"517460"	44.050524	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M-3H"	-3.021828
"891370"	14.0119906666667	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-3H"	-3.021828
"14686"	44.050524	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M-2H"	-2.014552
"455602"	66.579424	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M-2H"	-2.014552
"832054"	21.521624	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-2H"	-2.014552
"89497"	89.108324	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M-H"	-1.007276
"532948"	134.166124	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M-H"	-1.007276
"910625"	44.050524	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-H"	-1.007276
"57950"	106.134871	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M-2H+NH4"	16.019271
"493140"	151.192671	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M-2H+NH4"	16.019271
"876408"	61.077071	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-2H+NH4"	16.019271
"45403"	111.090266	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M-2H+Na"	20.974666
"478401"	156.148066	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M-2H+Na"	20.974666
"861670"	66.032466	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-2H+Na"	20.974666
"1632298"	66.032466	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Na-2H"	20.974666
"103357"	62.038863	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M-H+Cl"	33.962126
"546198"	84.567763	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M-H+Cl"	33.962126
"929871"	39.509963	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-H+Cl"	33.962126
"278270"	125.085002	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+Cl"	34.969402
"668505"	170.142802	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+Cl"	34.969402
"1286377"	80.027202	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Cl"	34.969402
"27839"	127.064206	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M-2H+K"	36.948606
"470680"	172.122006	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M-2H+K"	36.948606
"845204"	82.006406	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-2H+K"	36.948606
"1566505"	82.006406	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+K-2H"	36.948606
"946735"	90.055994	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-H+HCOOH"	44.998194
"374062"	135.113801	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+HCOOH-H"	44.998201
"359038"	149.129451	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+Hac-H"	59.013851
"1506777"	104.071651	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Hac-H"	59.013851
"969579"	112.037951	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-H+NaCOOH"	66.980151
"115206"	80.027202	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+2Cl"	69.938804
"554767"	102.556102	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+2Cl"	69.938804
"1022472"	57.498302	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2Cl"	69.938804
"1251889"	123.976685	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Br"	78.918885
"1306685"	126.032672	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Cl+HCOOH"	80.974872
"1323092"	148.014629	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Cl+NaCOOH"	102.956829
"913420"	158.043386	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M-H+CF3COOH"	112.985586
"1289399"	194.020064	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Cl+CF3COOH"	148.962264
"1377772"	10.045124	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H-2H2O"	-35.012676
"1390891"	28.0551	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H-H2O"	-17.0027
"289488"	91.122876	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+H"	1.007276
"683002"	136.180676	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+H"	1.007276
"1362628"	46.065076	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H"	1.007276
"133331"	46.065076	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+2H"	2.014552
"569978"	68.593976	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+2H"	2.014552
"1042056"	23.536176	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2H"	2.014552
"208502"	31.0458093333333	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+3H"	3.021828
"655354"	46.065076	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+3H"	3.021828
"1174938"	16.0265426666667	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+3H"	3.021828
"436024"	108.149423	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+NH4"	18.033823
"797017"	153.207223	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+NH4"	18.033823
"1692621"	63.091623	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+NH4"	18.033823
"337256"	54.5783495	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+H+NH4"	19.041099
"734049"	77.1072495	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+H+NH4"	19.041099
"1485683"	32.0494495	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H+NH4"	19.041099
"398894"	113.104818	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+Na"	22.989218
"762079"	158.162618	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+Na"	22.989218
"1610177"	68.047018	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Na"	22.989218
"322402"	57.056047	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+H+Na"	23.996494
"712633"	79.584947	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+H+Na"	23.996494
"1468642"	34.527147	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H+Na"	23.996494
"1057514"	23.3538566666667	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2H+Na"	25.00377
"1261375"	78.091286	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+CH3OH+H"	33.033486
"382138"	129.078758	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+K"	38.963158
"739608"	174.136558	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+K"	38.963158
"1540162"	84.020958	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+K"	38.963158
"299568"	65.043017	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+H+K"	39.970434
"692967"	87.571917	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+H+K"	39.970434
"1446092"	42.514117	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H+K"	39.970434
"236478"	132.149426	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+ACN+H"	42.033826
"1210318"	87.091626	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+ACN+H"	42.033826
"1194648"	44.049451	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+ACN+2H"	43.041102
"189014"	135.08676	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+2Na-H"	44.97116
"629513"	180.14456	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+2Na-H"	44.97116
"1135213"	90.02896	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2Na-H"	44.97116
"175589"	68.047018	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+2Na"	45.978436
"616613"	90.575918	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+2Na"	45.978436
"1117445"	45.518118	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2Na"	45.978436
"1402551"	30.6811706666667	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H+2Na"	46.985712
"1431506"	92.070546	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H+HCOOH"	47.012746
"222534"	73.08004	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+3H2O+2H"	56.04448
"1513151"	106.12259	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+IsoProp+H"	61.06479
"414660"	76.033988	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+Na+K"	61.952376
"772380"	98.562888	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+Na+K"	61.952376
"1666882"	53.505088	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Na+K"	61.952376
"253036"	154.131368	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+ACN+Na"	64.015768
"1227209"	109.073568	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+ACN+Na"	64.015768
"1714270"	109.097093	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+NH4+HCOOH"	64.039293
"1179991"	38.0084846666667	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+3Na"	68.967654
"1650973"	114.052488	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Na+HCOOH"	68.994688
"157473"	167.03464	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+2K-H"	76.91904
"603971"	212.09244	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+2K-H"	76.91904
"1092857"	121.97684	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2K-H"	76.91904
"156244"	84.020958	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"2M+2K"	77.926316
"596288"	106.549858	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"3M+2K"	77.926316
"1083686"	61.492058	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2K"	77.926316
"1115196"	123.991392	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2K+H"	78.933592
"1350398"	124.079007	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+DMSO+H"	79.021207
"1020877"	128.118176	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2ACN+H"	83.060376
"1539366"	129.111808	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+IsoProp+Na+H"	84.054008
"1003011"	64.562726	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+2ACN+2H"	84.067652
"1601651"	130.026428	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+K+HCOOH"	84.968628
"1425361"	160.057938	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+H+CF3COOH"	115.000138
"1158930"	85.076001	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+3ACN+2H"	125.094202
"1708480"	177.084485	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+NH4+CF3COOH"	132.026685
"1639761"	182.03988	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+Na+CF3COOH"	136.98208
"1577598"	198.01382	"C00543"	"Dimethylamine;(CH3)2NH"	"C2H7N"	"45.0578"	"M+K+CF3COOH"	152.95602
"802497"	168.0423	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M"	0
"978218"	149.02391	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"63083"	111.020924	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"517691"	167.035024	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"888200"	55.006824	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"14796"	167.035024	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"455209"	251.056174	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"831800"	83.013874	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"89607"	335.077324	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"532815"	503.119624	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"909158"	167.035024	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"58060"	352.103871	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"495436"	520.146171	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"869957"	184.061571	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"45149"	357.059266	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"478511"	525.101566	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"861780"	189.016966	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1630221"	189.016966	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"100187"	185.023363	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"546308"	269.044513	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"929981"	101.002213	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"276194"	371.054002	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"669708"	539.096302	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1283208"	203.011702	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"27949"	373.033206	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"466418"	541.075506	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"845314"	204.990906	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1567708"	204.990906	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"946845"	213.040494	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"373807"	381.082801	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"359148"	395.098451	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1505065"	227.056151	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"969689"	235.022451	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"120419"	203.011702	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"554877"	287.032852	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1024039"	118.990552	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1249813"	246.961185	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1304609"	249.017172	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1323202"	270.999129	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"913166"	281.027886	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1290238"	317.004564	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1377882"	133.029624	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1388814"	151.0396	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"289598"	337.091876	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"684205"	505.134176	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1359458"	169.049576	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"133441"	169.049576	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"570815"	253.070726	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1043986"	85.028426	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"209705"	113.035476	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"651453"	169.049576	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1166298"	57.021376	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"436134"	354.118423	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"796034"	522.160723	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1691272"	186.076123	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"338459"	177.5628495	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"728691"	261.5839995	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1485793"	93.5416995	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"399004"	359.073818	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"762189"	527.116118	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1608100"	191.031518	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"321418"	180.040547	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"712743"	264.061697	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1465471"	96.019397	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1056531"	64.34869	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1259300"	201.075786	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"380062"	375.047758	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"739963"	543.090058	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1540192"	207.005458	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"298868"	188.027517	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"693072"	272.048667	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1447985"	104.006367	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"236224"	378.118426	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1210062"	210.076126	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1195001"	105.541701	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"188603"	381.05576	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"628609"	549.09806	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1131364"	213.01346	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"175698"	191.031518	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"613922"	275.052668	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1116945"	107.010368	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1400104"	71.676004	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1430761"	215.055046	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"220698"	196.06454	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1512895"	229.10709	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"411851"	199.018488	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"771267"	283.039638	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1666382"	114.997338	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"253507"	400.100368	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1227311"	232.058068	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1713108"	232.081593	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1180464"	79.003318	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1649983"	237.036988	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"157743"	413.00364	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"605174"	581.04594	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1092967"	244.96134	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"156355"	207.005458	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"596843"	291.026608	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1083918"	122.984308	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1115530"	246.975892	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1350871"	247.063507	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1020868"	251.102676	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1539471"	252.096308	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"1002028"	126.054976	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1601639"	253.010928	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1425471"	283.042438	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1160133"	146.568251	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1708590"	300.068985	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1639871"	305.02438	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1577708"	320.99832	"C00544"	"Homogentisate;Homogentisic acid;25-Dihydroxyphenylacetic acid;25-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"808075"	166.0477	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M"	0
"978328"	147.02931	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-H2O-H"	-19.01839
"66568"	109.691190666667	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M-3H"	-3.021828
"516708"	165.040424	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M-3H"	-3.021828
"891228"	54.3419573333333	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-3H"	-3.021828
"14545"	165.040424	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M-2H"	-2.014552
"454877"	248.064274	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M-2H"	-2.014552
"831182"	82.016574	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-2H"	-2.014552
"88624"	331.088124	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M-H"	-1.007276
"532683"	497.135824	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M-H"	-1.007276
"906716"	165.040424	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-H"	-1.007276
"60357"	348.114671	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M-2H+NH4"	16.019271
"499192"	514.162371	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M-2H+NH4"	16.019271
"873347"	182.066971	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-2H+NH4"	16.019271
"43436"	353.070066	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M-2H+Na"	20.974666
"481901"	519.117766	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M-2H+Na"	20.974666
"863228"	187.022366	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-2H+Na"	20.974666
"1630331"	187.022366	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Na-2H"	20.974666
"107951"	183.028763	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M-H+Cl"	33.962126
"547511"	266.052613	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M-H+Cl"	33.962126
"932278"	100.004913	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-H+Cl"	33.962126
"277397"	367.064802	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+Cl"	34.969402
"668725"	533.112502	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+Cl"	34.969402
"1285504"	201.017102	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Cl"	34.969402
"28059"	369.044006	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M-2H+K"	36.948606
"470536"	535.091706	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M-2H+K"	36.948606
"846519"	202.996306	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-2H+K"	36.948606
"1566725"	202.996306	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+K-2H"	36.948606
"945862"	211.045894	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-H+HCOOH"	44.998194
"373553"	377.093601	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+HCOOH-H"	44.998201
"358894"	391.109251	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+Hac-H"	59.013851
"1505175"	225.061551	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Hac-H"	59.013851
"972352"	233.027851	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-H+NaCOOH"	66.980151
"118706"	201.017102	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+2Cl"	69.938804
"563733"	284.040952	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+2Cl"	69.938804
"1023055"	117.993252	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2Cl"	69.938804
"1247736"	244.966585	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Br"	78.918885
"1304296"	247.022572	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Cl+HCOOH"	80.974872
"1323312"	269.004529	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Cl+NaCOOH"	102.956829
"913275"	279.033286	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M-H+CF3COOH"	112.985586
"1288686"	315.009964	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Cl+CF3COOH"	148.962264
"1379085"	131.035024	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H-2H2O"	-35.012676
"1388924"	149.045	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H-H2O"	-17.0027
"289708"	333.102676	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+H"	1.007276
"684315"	499.150376	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+H"	1.007276
"1359568"	167.054976	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H"	1.007276
"132458"	167.054976	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+2H"	2.014552
"574204"	250.078826	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+2H"	2.014552
"1043003"	84.031126	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2H"	2.014552
"208352"	111.705742666667	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+3H"	3.021828
"652656"	167.054976	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+3H"	3.021828
"1168594"	56.3565093333333	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+3H"	3.021828
"430775"	350.129223	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+NH4"	18.033823
"788853"	516.176923	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+NH4"	18.033823
"1691381"	184.081523	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+NH4"	18.033823
"335287"	175.5682495	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+H+NH4"	19.041099
"725522"	258.5920995	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+H+NH4"	19.041099
"1486996"	92.5443995	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H+NH4"	19.041099
"396925"	355.084618	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+Na"	22.989218
"762297"	521.132318	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+Na"	22.989218
"1608209"	189.036918	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Na"	22.989218
"320433"	178.045947	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+H+Na"	23.996494
"711760"	261.069797	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+H+Na"	23.996494
"1466674"	95.022097	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H+Na"	23.996494
"1054694"	63.6838233333333	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2H+Na"	25.00377
"1261593"	199.081186	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+CH3OH+H"	33.033486
"378714"	371.058558	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+K"	38.963158
"740799"	537.106258	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+K"	38.963158
"1541760"	205.010858	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+K"	38.963158
"300033"	186.032917	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+H+K"	39.970434
"692206"	269.056767	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+H+K"	39.970434
"1446272"	103.009067	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H+K"	39.970434
"235764"	374.129226	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+ACN+H"	42.033826
"1210130"	208.081526	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+ACN+H"	42.033826
"1194196"	104.544401	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+ACN+2H"	43.041102
"189316"	377.06656	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+2Na-H"	44.97116
"628526"	543.11426	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+2Na-H"	44.97116
"1131771"	211.01886	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2Na-H"	44.97116
"175439"	189.036918	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+2Na"	45.978436
"615740"	272.060768	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+2Na"	45.978436
"1117665"	106.013068	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2Na"	45.978436
"1399489"	71.0111373333333	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H+2Na"	46.985712
"1431240"	213.060446	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H+HCOOH"	47.012746
"222391"	194.06994	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+3H2O+2H"	56.04448
"1510820"	227.11249	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+IsoProp+H"	61.06479
"411596"	197.023888	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+Na+K"	61.952376
"771496"	280.047738	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+Na+K"	61.952376
"1668192"	114.000038	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Na+K"	61.952376
"253254"	396.111168	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+ACN+Na"	64.015768
"1227057"	230.063468	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+ACN+Na"	64.015768
"1713147"	230.086993	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+NH4+HCOOH"	64.039293
"1178559"	78.3384513333333	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+3Na"	68.967654
"1650096"	235.042388	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Na+HCOOH"	68.994688
"157527"	409.01444	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+2K-H"	76.91904
"604191"	575.06214	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+2K-H"	76.91904
"1091984"	242.96674	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2K-H"	76.91904
"154275"	205.010858	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"2M+2K"	77.926316
"590553"	288.034708	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"3M+2K"	77.926316
"1083697"	121.987008	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2K"	77.926316
"1115492"	244.981292	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2K+H"	78.933592
"1351231"	245.068907	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+DMSO+H"	79.021207
"1020481"	249.108076	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2ACN+H"	83.060376
"1538851"	250.101708	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+IsoProp+Na+H"	84.054008
"1002138"	125.057676	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+2ACN+2H"	84.067652
"1601385"	251.016328	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+K+HCOOH"	84.968628
"1423395"	281.047838	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+H+CF3COOH"	115.000138
"1158056"	145.570951	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+3ACN+2H"	125.094202
"1705420"	298.074385	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+NH4+CF3COOH"	132.026685
"1647636"	303.02978	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+Na+CF3COOH"	136.98208
"1584379"	319.00372	"C00545"	"L-Arabinonate"	"C5H10O6"	"166.0477"	"M+K+CF3COOH"	152.95602
"802109"	72.0211	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M"	0
"978437"	53.00271	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-H2O-H"	-19.01839
"66678"	47.0067906666667	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M-3H"	-3.021828
"516819"	71.013824	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M-3H"	-3.021828
"891702"	22.9997573333333	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-3H"	-3.021828
"13563"	71.013824	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M-2H"	-2.014552
"453488"	107.024374	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M-2H"	-2.014552
"829468"	35.003274	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-2H"	-2.014552
"87639"	143.034924	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M-H"	-1.007276
"527202"	215.056024	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M-H"	-1.007276
"905732"	71.013824	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-H"	-1.007276
"58650"	160.061471	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M-2H+NH4"	16.019271
"495657"	232.082571	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M-2H+NH4"	16.019271
"873457"	88.040371	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-2H+NH4"	16.019271
"41361"	165.016866	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M-2H+Na"	20.974666
"482011"	237.037966	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M-2H+Na"	20.974666
"861276"	92.995766	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-2H+Na"	20.974666
"1630808"	92.995766	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Na-2H"	20.974666
"108061"	89.002163	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M-H+Cl"	33.962126
"546528"	125.012713	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M-H+Cl"	33.962126
"931294"	52.991613	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-H+Cl"	33.962126
"276414"	179.011602	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+Cl"	34.969402
"667742"	251.032702	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+Cl"	34.969402
"1283428"	106.990502	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Cl"	34.969402
"25983"	180.990806	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M-2H+K"	36.948606
"466639"	253.011906	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M-2H+K"	36.948606
"847727"	108.969706	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-2H+K"	36.948606
"1569388"	108.969706	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+K-2H"	36.948606
"957272"	117.019294	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-H+HCOOH"	44.998194
"376425"	189.040401	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+HCOOH-H"	44.998201
"360469"	203.056051	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+Hac-H"	59.013851
"1508205"	131.034951	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Hac-H"	59.013851
"973927"	139.001251	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-H+NaCOOH"	66.980151
"123920"	106.990502	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+2Cl"	69.938804
"565642"	143.001052	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+2Cl"	69.938804
"1026082"	70.979952	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2Cl"	69.938804
"1247847"	150.939985	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Br"	78.918885
"1305193"	152.995972	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Cl+HCOOH"	80.974872
"1322329"	174.977929	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Cl+NaCOOH"	102.956829
"912167"	185.006686	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M-H+CF3COOH"	112.985586
"1291188"	220.983364	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Cl+CF3COOH"	148.962264
"1379194"	37.008424	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H-2H2O"	-35.012676
"1387941"	55.0184	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H-H2O"	-17.0027
"290910"	145.049476	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+H"	1.007276
"684425"	217.070576	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+H"	1.007276
"1359678"	73.028376	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H"	1.007276
"134754"	73.028376	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+2H"	2.014552
"571033"	109.038926	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+2H"	2.014552
"1043113"	37.017826	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2H"	2.014552
"208464"	49.0213426666667	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+3H"	3.021828
"650579"	73.028376	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+3H"	3.021828
"1167975"	25.0143093333333	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+3H"	3.021828
"428698"	162.076023	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+NH4"	18.033823
"790785"	234.097123	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+NH4"	18.033823
"1689304"	90.054923	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+NH4"	18.033823
"335397"	81.5416495	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+H+NH4"	19.041099
"728912"	117.5521995	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+H+NH4"	19.041099
"1480546"	45.5310995	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H+NH4"	19.041099
"395942"	167.031418	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+Na"	22.989218
"755235"	239.052518	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+Na"	22.989218
"1608319"	95.010318	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Na"	22.989218
"320543"	84.019347	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+H+Na"	23.996494
"711870"	120.029897	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+H+Na"	23.996494
"1463504"	48.008797	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H+Na"	23.996494
"1054559"	32.3416233333333	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2H+Na"	25.00377
"1264983"	105.054586	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+CH3OH+H"	33.033486
"379550"	183.005358	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+K"	38.963158
"741273"	255.026458	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+K"	38.963158
"1541869"	110.984258	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+K"	38.963158
"299168"	92.006317	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+H+K"	39.970434
"691950"	128.016867	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+H+K"	39.970434
"1447842"	55.995767	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H+K"	39.970434
"236199"	186.076026	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+ACN+H"	42.033826
"1210401"	114.054926	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+ACN+H"	42.033826
"1194613"	57.531101	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+ACN+2H"	43.041102
"189303"	189.01336	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+2Na-H"	44.97116
"629224"	261.03446	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+2Na-H"	44.97116
"1132368"	116.99226	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2Na-H"	44.97116
"175184"	95.010318	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+2Na"	45.978436
"615119"	131.020868	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+2Na"	45.978436
"1116801"	58.999768	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2Na"	45.978436
"1399475"	39.6689373333333	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H+2Na"	46.985712
"1430984"	119.033846	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H+HCOOH"	47.012746
"221405"	100.04334	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+3H2O+2H"	56.04448
"1510566"	133.08589	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+IsoProp+H"	61.06479
"412071"	102.997288	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+Na+K"	61.952376
"771607"	139.007838	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+Na+K"	61.952376
"1667329"	66.986738	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Na+K"	61.952376
"252638"	208.057968	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+ACN+Na"	64.015768
"1227168"	136.036868	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+ACN+Na"	64.015768
"1714595"	136.060393	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+NH4+HCOOH"	64.039293
"1178651"	46.9962513333333	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+3Na"	68.967654
"1650072"	141.015788	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Na+HCOOH"	68.994688
"157150"	220.96124	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+2K-H"	76.91904
"605394"	292.98234	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+2K-H"	76.91904
"1097561"	148.94014	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2K-H"	76.91904
"156696"	110.984258	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"2M+2K"	77.926316
"595766"	146.994808	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"3M+2K"	77.926316
"1083201"	74.973708	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2K"	77.926316
"1114468"	150.954692	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2K+H"	78.933592
"1350485"	151.042307	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+DMSO+H"	79.021207
"1019740"	155.081476	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2ACN+H"	83.060376
"1539733"	156.075108	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+IsoProp+Na+H"	84.054008
"1004193"	78.044376	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+2ACN+2H"	84.067652
"1600403"	156.989728	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+K+HCOOH"	84.968628
"1424598"	187.021238	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+H+CF3COOH"	115.000138
"1161446"	98.557651	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+3ACN+2H"	125.094202
"1703343"	204.047785	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+NH4+CF3COOH"	132.026685
"1646653"	209.00318	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+Na+CF3COOH"	136.98208
"1584489"	224.97712	"C00546"	"Methylglyoxal;Pyruvaldehyde;Pyruvic aldehyde;2-Ketopropionaldehyde;2-Oxopropanal"	"C3H4O2"	"72.0211"	"M+K+CF3COOH"	152.95602
"803191"	169.0739	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M"	0
"976725"	150.05551	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-H2O-H"	-19.01839
"67882"	111.708657333333	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M-3H"	-3.021828
"517658"	168.066624	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M-3H"	-3.021828
"893999"	55.3506906666667	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-3H"	-3.021828
"15644"	168.066624	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M-2H"	-2.014552
"453959"	252.603574	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M-2H"	-2.014552
"830786"	83.529674	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-2H"	-2.014552
"88840"	337.140524	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M-H"	-1.007276
"531318"	506.214424	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M-H"	-1.007276
"907300"	168.066624	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-H"	-1.007276
"56208"	354.167071	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M-2H+NH4"	16.019271
"492485"	523.240971	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M-2H+NH4"	16.019271
"875752"	185.093171	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-2H+NH4"	16.019271
"41469"	359.122466	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M-2H+Na"	20.974666
"482121"	528.196366	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M-2H+Na"	20.974666
"862479"	190.048566	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-2H+Na"	20.974666
"1633790"	190.048566	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Na-2H"	20.974666
"103797"	186.054963	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M-H+Cl"	33.962126
"544450"	270.591913	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M-H+Cl"	33.962126
"929218"	101.518013	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-H+Cl"	33.962126
"279803"	373.117202	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+Cl"	34.969402
"667852"	542.191102	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+Cl"	34.969402
"1285359"	204.043302	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Cl"	34.969402
"29008"	375.096406	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M-2H+K"	36.948606
"470879"	544.170306	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M-2H+K"	36.948606
"848287"	206.022506	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-2H+K"	36.948606
"1570839"	206.022506	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+K-2H"	36.948606
"957628"	214.072094	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-H+HCOOH"	44.998194
"376959"	383.146001	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+HCOOH-H"	44.998201
"360460"	397.161651	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+Hac-H"	59.013851
"1508400"	228.087751	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Hac-H"	59.013851
"974165"	236.054051	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-H+NaCOOH"	66.980151
"125126"	204.043302	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+2Cl"	69.938804
"565585"	288.580252	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+2Cl"	69.938804
"1028380"	119.506352	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2Cl"	69.938804
"1253424"	247.992785	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Br"	78.918885
"1306396"	250.048772	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Cl+HCOOH"	80.974872
"1326811"	272.030729	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Cl+NaCOOH"	102.956829
"913493"	282.059486	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M-H+CF3COOH"	112.985586
"1295670"	318.036164	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Cl+CF3COOH"	148.962264
"1378210"	134.061224	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H-2H2O"	-35.012676
"1392424"	152.0712	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H-H2O"	-17.0027
"292110"	339.155076	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+H"	1.007276
"684533"	508.228976	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+H"	1.007276
"1357601"	170.081176	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H"	1.007276
"135957"	170.081176	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+2H"	2.014552
"573330"	254.618126	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+2H"	2.014552
"1043223"	85.544226	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2H"	2.014552
"209303"	113.723209333333	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+3H"	3.021828
"649595"	170.081176	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+3H"	3.021828
"1167721"	57.3652426666667	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+3H"	3.021828
"429901"	356.181623	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+NH4"	18.033823
"790895"	525.255523	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+NH4"	18.033823
"1689413"	187.107723	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+NH4"	18.033823
"336600"	178.5944495	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+H+NH4"	19.041099
"729022"	263.1313995	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+H+NH4"	19.041099
"1485029"	94.0574995	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H+NH4"	19.041099
"397145"	361.137018	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+Na"	22.989218
"760328"	530.210918	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+Na"	22.989218
"1609522"	192.063118	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Na"	22.989218
"322841"	181.072147	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+H+Na"	23.996494
"711980"	265.609097	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+H+Na"	23.996494
"1463614"	96.535197	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H+Na"	23.996494
"1054305"	64.6925566666667	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2H+Na"	25.00377
"1261816"	202.107386	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+CH3OH+H"	33.033486
"378933"	377.110958	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+K"	38.963158
"741020"	546.184858	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+K"	38.963158
"1543438"	208.037058	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+K"	38.963158
"299523"	189.059117	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+H+K"	39.970434
"692544"	273.596067	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+H+K"	39.970434
"1446492"	104.522167	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H+K"	39.970434
"237160"	380.181626	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+ACN+H"	42.033826
"1210008"	211.107726	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+ACN+H"	42.033826
"1198614"	106.057501	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+ACN+2H"	43.041102
"190269"	383.11896	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+2Na-H"	44.97116
"629335"	552.19286	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+2Na-H"	44.97116
"1132479"	214.04506	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2Na-H"	44.97116
"175296"	192.063118	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+2Na"	45.978436
"615231"	276.600068	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+2Na"	45.978436
"1116791"	107.526168	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2Na"	45.978436
"1399708"	72.0198706666667	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H+2Na"	46.985712
"1430608"	216.086646	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H+HCOOH"	47.012746
"222250"	197.09614	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+3H2O+2H"	56.04448
"1510675"	230.13869	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+IsoProp+H"	61.06479
"410236"	200.050088	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+Na+K"	61.952376
"772085"	284.587038	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+Na+K"	61.952376
"1667686"	115.513138	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Na+K"	61.952376
"253476"	402.163568	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+ACN+Na"	64.015768
"1227644"	233.089668	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+ACN+Na"	64.015768
"1715071"	233.113193	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+NH4+HCOOH"	64.039293
"1179044"	79.3471846666667	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+3Na"	68.967654
"1650597"	238.068588	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Na+HCOOH"	68.994688
"157210"	415.06684	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+2K-H"	76.91904
"602220"	584.14074	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+2K-H"	76.91904
"1096578"	245.99294	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2K-H"	76.91904
"156560"	208.037058	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"2M+2K"	77.926316
"595147"	292.574008	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"3M+2K"	77.926316
"1083921"	123.500108	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2K"	77.926316
"1114215"	248.007492	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2K+H"	78.933592
"1350230"	248.095107	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+DMSO+H"	79.021207
"1020464"	252.134276	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2ACN+H"	83.060376
"1539557"	253.127908	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+IsoProp+Na+H"	84.054008
"1004424"	126.570776	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+2ACN+2H"	84.067652
"1600876"	254.042528	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+K+HCOOH"	84.968628
"1429083"	284.074038	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+H+CF3COOH"	115.000138
"1161559"	147.084051	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+3ACN+2H"	125.094202
"1703453"	301.100585	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+NH4+CF3COOH"	132.026685
"1640201"	306.05598	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+Na+CF3COOH"	136.98208
"1584599"	322.02992	"C00547"	"L-Noradrenaline;Noradrenaline;Norepinephrine;Arterenol;4-(1R)-2-Amino-1-hydroxyethyl-12-benzenediol"	"C8H11NO3"	"169.0739"	"M+K+CF3COOH"	152.95602
"802937"	136.0524	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M"	0
"977563"	117.03401	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"66898"	89.694324	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"518338"	135.045124	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"893988"	44.343524	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"15320"	135.045124	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"454069"	203.071324	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"826765"	67.018924	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"91136"	271.097524	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"531792"	407.149924	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"907413"	135.045124	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"58870"	288.124071	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"492595"	424.176471	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"872582"	152.071671	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"43766"	293.079466	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"484418"	429.131866	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"863315"	157.027066	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1632847"	157.027066	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"105000"	153.033463	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"543467"	221.059663	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"929328"	85.007263	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"277727"	307.074202	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"671241"	443.126602	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1281457"	171.021802	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"26201"	309.053406	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"471276"	445.105806	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"848187"	173.001006	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1570827"	173.001006	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"957983"	181.050594	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"376564"	317.103001	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"360894"	331.118651	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1507458"	195.066251	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"973950"	203.032551	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"125113"	171.021802	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"565166"	239.048002	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1036144"	102.995602	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1252440"	214.971285	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1308328"	217.027272	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1321816"	239.009229	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"913235"	249.037986	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1293593"	285.014664	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1378317"	101.039724	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1393627"	119.0497	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"290034"	273.112076	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"685736"	409.164476	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1359898"	137.059676	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"136067"	137.059676	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"570160"	205.085876	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1042603"	69.033476	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"208319"	91.708876	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"651891"	137.059676	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1168192"	46.358076	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"431104"	290.138623	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"793192"	426.191023	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1690616"	154.086223	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"334519"	145.5729495	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"729132"	213.5991495	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1482950"	77.5467495	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"396162"	295.094018	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"755212"	431.146418	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1609632"	159.041618	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"320762"	148.050647	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"714276"	216.076847	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1463478"	80.024447	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1056236"	53.68539	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1260829"	169.085886	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"381591"	311.067958	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"741493"	447.120358	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1543546"	175.015558	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"298781"	156.037617	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"691562"	224.063817	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1446724"	88.011417	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"235806"	314.138626	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1210584"	178.086226	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1194956"	89.546751	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"189892"	317.07596	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"628756"	453.12836	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1131862"	181.02356	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"175770"	159.041618	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"615703"	227.067818	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1117144"	91.015418	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1399694"	61.012704	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1431572"	183.065146	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"222360"	164.07464	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1511515"	197.11719	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"409740"	167.028588	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"772558"	235.054788	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1668278"	99.002388	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"252858"	336.120568	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1227148"	200.068168	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1714087"	200.091693	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1178954"	68.340018	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1650223"	205.047088	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"157777"	349.02384	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"601237"	485.07624	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1096688"	212.97144	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"156428"	175.015558	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"596109"	243.041758	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1083540"	106.989358	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1113596"	214.985992	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1349735"	215.073607	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1020209"	219.112776	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1539303"	220.106408	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"1004900"	110.060026	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1599530"	221.021028	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1428100"	251.052538	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1161668"	130.573301	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1702470"	268.079085	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1640311"	273.03448	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1584709"	289.00842	"C00548"	"Phenyl acetate;Acetylphenol;Acetic acidphenyl ester"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"816989"	150.0164	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M"	0
"989309"	130.99801	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-H2O-H"	-19.01839
"78310"	99.0036573333333	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M-3H"	-3.021828
"518247"	149.009124	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M-3H"	-3.021828
"895445"	48.9981906666667	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-3H"	-3.021828
"13531"	149.009124	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M-2H"	-2.014552
"450178"	224.017324	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M-2H"	-2.014552
"829800"	74.000924	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-2H"	-2.014552
"90525"	299.025524	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M-H"	-1.007276
"519510"	449.041924	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M-H"	-1.007276
"897679"	149.009124	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-H"	-1.007276
"56423"	316.052071	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M-2H+NH4"	16.019271
"490517"	466.068471	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M-2H+NH4"	16.019271
"873788"	166.035671	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-2H+NH4"	16.019271
"42781"	321.007466	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M-2H+Na"	20.974666
"476873"	471.023866	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M-2H+Na"	20.974666
"856862"	170.991066	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-2H+Na"	20.974666
"1623116"	170.991066	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Na-2H"	20.974666
"101830"	166.997463	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M-H+Cl"	33.962126
"540297"	242.005663	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M-H+Cl"	33.962126
"939280"	91.989263	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-H+Cl"	33.962126
"280398"	335.002202	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+Cl"	34.969402
"673182"	485.018602	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+Cl"	34.969402
"1284859"	184.985802	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Cl"	34.969402
"26317"	336.981406	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M-2H+K"	36.948606
"468063"	486.997806	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M-2H+K"	36.948606
"844772"	186.965006	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-2H+K"	36.948606
"1566437"	186.965006	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+K-2H"	36.948606
"956506"	195.014594	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-H+HCOOH"	44.998194
"372535"	345.031001	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+HCOOH-H"	44.998201
"361000"	359.046651	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+Hac-H"	59.013851
"1508168"	209.030251	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Hac-H"	59.013851
"968781"	216.996551	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-H+NaCOOH"	66.980151
"119145"	184.985802	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+2Cl"	69.938804
"557613"	259.994002	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+2Cl"	69.938804
"1026412"	109.977602	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2Cl"	69.938804
"1250363"	228.935285	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Br"	78.918885
"1307344"	230.991272	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Cl+HCOOH"	80.974872
"1331407"	252.973229	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Cl+NaCOOH"	102.956829
"922102"	263.001986	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M-H+CF3COOH"	112.985586
"1295892"	298.978664	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Cl+CF3COOH"	148.962264
"1377337"	115.003724	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H-2H2O"	-35.012676
"1395561"	133.0137	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H-H2O"	-17.0027
"290144"	301.040076	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+H"	1.007276
"680383"	451.056476	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+H"	1.007276
"1356729"	151.023676	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H"	1.007276
"133997"	151.023676	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+2H"	2.014552
"574651"	226.031876	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+2H"	2.014552
"1041264"	76.015476	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2H"	2.014552
"207704"	101.018209333333	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+3H"	3.021828
"650906"	151.023676	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+3H"	3.021828
"1166853"	51.0127426666667	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+3H"	3.021828
"427939"	318.066623	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+NH4"	18.033823
"787473"	468.083023	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+NH4"	18.033823
"1683194"	168.050223	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+NH4"	18.033823
"334630"	159.5369495	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+H+NH4"	19.041099
"724866"	234.5451495	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+H+NH4"	19.041099
"1480875"	84.5287495	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H+NH4"	19.041099
"398461"	323.022018	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+Na"	22.989218
"756539"	473.038418	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+Na"	22.989218
"1605369"	173.005618	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Na"	22.989218
"317599"	162.014647	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+H+Na"	23.996494
"709654"	237.022847	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+H+Na"	23.996494
"1468214"	87.006447	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H+Na"	23.996494
"1055625"	58.3400566666667	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2H+Na"	25.00377
"1257206"	183.049886	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+CH3OH+H"	33.033486
"377400"	338.995958	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+K"	38.963158
"738638"	489.012358	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+K"	38.963158
"1540075"	188.979558	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+K"	38.963158
"299381"	170.001617	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+H+K"	39.970434
"691717"	245.009817	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+H+K"	39.970434
"1447083"	94.993417	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H+K"	39.970434
"236051"	342.066626	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+ACN+H"	42.033826
"1213502"	192.050226	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+ACN+H"	42.033826
"1195560"	96.528751	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+ACN+2H"	43.041102
"191356"	345.00396	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+2Na-H"	44.97116
"635657"	495.02036	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+2Na-H"	44.97116
"1133820"	194.98756	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2Na-H"	44.97116
"178081"	173.005618	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+2Na"	45.978436
"616547"	248.013818	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+2Na"	45.978436
"1121146"	97.997418	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2Na"	45.978436
"1399116"	65.6673706666667	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H+2Na"	46.985712
"1430584"	197.029146	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H+HCOOH"	47.012746
"223201"	178.03864	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+3H2O+2H"	56.04448
"1509439"	211.08119	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+IsoProp+H"	61.06479
"410219"	180.992588	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+Na+K"	61.952376
"770600"	256.000788	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+Na+K"	61.952376
"1666448"	105.984388	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Na+K"	61.952376
"252846"	364.048568	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+ACN+Na"	64.015768
"1226777"	214.032168	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+ACN+Na"	64.015768
"1719675"	214.055693	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+NH4+HCOOH"	64.039293
"1192333"	72.9946846666667	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+3Na"	68.967654
"1663682"	219.011088	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Na+HCOOH"	68.994688
"171403"	376.95184	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+2K-H"	76.91904
"610114"	526.96824	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+2K-H"	76.91904
"1098634"	226.93544	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2K-H"	76.91904
"155452"	188.979558	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"2M+2K"	77.926316
"593922"	263.987758	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"3M+2K"	77.926316
"1082561"	113.971358	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2K"	77.926316
"1113704"	228.949992	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2K+H"	78.933592
"1348997"	229.037607	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+DMSO+H"	79.021207
"1020438"	233.076776	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2ACN+H"	83.060376
"1536133"	234.070408	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+IsoProp+Na+H"	84.054008
"999304"	117.042026	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+2ACN+2H"	84.067652
"1597087"	234.985028	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+K+HCOOH"	84.968628
"1422744"	265.016538	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+H+CF3COOH"	115.000138
"1155220"	137.555301	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+3ACN+2H"	125.094202
"1697172"	282.043085	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+NH4+CF3COOH"	132.026685
"1638238"	286.99848	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+Na+CF3COOH"	136.98208
"1584824"	302.97242	"C00552"	"meso-Tartaric acid;meso-Tartrate"	"C4H6O6"	"150.0164"	"M+K+CF3COOH"	152.95602
"816164"	156.1514	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M"	0
"989461"	137.13301	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-H2O-H"	-19.01839
"78438"	103.093657333333	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M-3H"	-3.021828
"518426"	155.144124	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M-3H"	-3.021828
"895553"	51.0431906666667	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-3H"	-3.021828
"14372"	155.144124	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M-2H"	-2.014552
"452113"	233.219824	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M-2H"	-2.014552
"828820"	77.068424	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-2H"	-2.014552
"89542"	311.295524	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M-H"	-1.007276
"525455"	467.446924	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M-H"	-1.007276
"903256"	155.144124	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-H"	-1.007276
"55441"	328.322071	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M-2H+NH4"	16.019271
"496097"	484.473471	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M-2H+NH4"	16.019271
"877792"	172.170671	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-2H+NH4"	16.019271
"44717"	333.277466	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M-2H+Na"	20.974666
"481358"	489.428866	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M-2H+Na"	20.974666
"851504"	177.126066	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-2H+Na"	20.974666
"1628692"	177.126066	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Na-2H"	20.974666
"101940"	173.132463	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M-H+Cl"	33.962126
"544782"	251.208163	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M-H+Cl"	33.962126
"940854"	95.056763	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-H+Cl"	33.962126
"280141"	347.272202	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+Cl"	34.969402
"672928"	503.423602	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+Cl"	34.969402
"1287522"	191.120802	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Cl"	34.969402
"28980"	349.251406	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M-2H+K"	36.948606
"469633"	505.402806	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M-2H+K"	36.948606
"845613"	193.100006	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-2H+K"	36.948606
"1567641"	193.100006	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+K-2H"	36.948606
"956616"	201.149594	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-H+HCOOH"	44.998194
"373739"	357.301001	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+HCOOH-H"	44.998201
"360540"	371.316651	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+Hac-H"	59.013851
"1506818"	215.165251	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Hac-H"	59.013851
"968162"	223.131551	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-H+NaCOOH"	66.980151
"118161"	191.120802	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+2Cl"	69.938804
"557724"	269.196502	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+2Cl"	69.938804
"1027616"	113.045102	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2Cl"	69.938804
"1246099"	235.070285	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Br"	78.918885
"1305632"	237.126272	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Cl+HCOOH"	80.974872
"1330424"	259.108229	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Cl+NaCOOH"	102.956829
"922576"	269.136986	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M-H+CF3COOH"	112.985586
"1297827"	305.113664	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Cl+CF3COOH"	148.962264
"1376353"	121.138724	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H-2H2O"	-35.012676
"1390567"	139.1487	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H-H2O"	-17.0027
"293534"	313.310076	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+H"	1.007276
"678304"	469.461476	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+H"	1.007276
"1354652"	157.158676	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H"	1.007276
"134107"	157.158676	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+2H"	2.014552
"574761"	235.234376	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+2H"	2.014552
"1040645"	79.082976	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2H"	2.014552
"209274"	105.108209333333	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+3H"	3.021828
"649924"	157.158676	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+3H"	3.021828
"1166963"	53.0577426666667	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+3H"	3.021828
"426956"	330.336623	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+NH4"	18.033823
"786855"	486.488023	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+NH4"	18.033823
"1684276"	174.185223	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+NH4"	18.033823
"331463"	165.6719495	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+H+NH4"	19.041099
"723277"	243.7476495	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+H+NH4"	19.041099
"1479893"	87.5962495	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H+NH4"	19.041099
"395656"	335.292018	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+Na"	22.989218
"754584"	491.443418	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+Na"	22.989218
"1605479"	179.140618	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Na"	22.989218
"315765"	168.149647	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+H+Na"	23.996494
"708671"	246.225347	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+H+Na"	23.996494
"1466138"	90.073947	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H+Na"	23.996494
"1053913"	60.3850566666667	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2H+Na"	25.00377
"1257198"	189.184886	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+CH3OH+H"	33.033486
"377352"	351.265958	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+K"	38.963158
"738531"	507.417358	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+K"	38.963158
"1540405"	195.114558	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+K"	38.963158
"299123"	176.136617	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+H+K"	39.970434
"692150"	254.212317	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+H+K"	39.970434
"1446137"	98.060917	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H+K"	39.970434
"236523"	354.336626	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+ACN+H"	42.033826
"1212882"	198.185226	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+ACN+H"	42.033826
"1195667"	99.596251	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+ACN+2H"	43.041102
"191831"	357.27396	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+2Na-H"	44.97116
"634674"	513.42536	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+2Na-H"	44.97116
"1133808"	201.12256	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2Na-H"	44.97116
"173122"	179.140618	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+2Na"	45.978436
"613373"	257.216318	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+2Na"	45.978436
"1116509"	101.064918	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2Na"	45.978436
"1398616"	67.7123706666667	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H+2Na"	46.985712
"1430325"	203.164146	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H+HCOOH"	47.012746
"220392"	184.17364	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+3H2O+2H"	56.04448
"1508492"	217.21619	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+IsoProp+H"	61.06479
"408828"	187.127588	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+Na+K"	61.952376
"770136"	265.203288	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+Na+K"	61.952376
"1665741"	109.051888	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Na+K"	61.952376
"251984"	376.318568	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+ACN+Na"	64.015768
"1227617"	220.167168	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+ACN+Na"	64.015768
"1719056"	220.190693	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+NH4+HCOOH"	64.039293
"1191715"	75.0396846666667	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+3Na"	68.967654
"1663793"	225.146088	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Na+HCOOH"	68.994688
"171149"	389.22184	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+2K-H"	76.91904
"609496"	545.37324	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+2K-H"	76.91904
"1099102"	233.07044	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2K-H"	76.91904
"156168"	195.114558	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"2M+2K"	77.926316
"597023"	273.190258	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"3M+2K"	77.926316
"1081459"	117.038858	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2K"	77.926316
"1113938"	235.084992	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2K+H"	78.933592
"1350442"	235.172607	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+DMSO+H"	79.021207
"1020309"	239.211776	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2ACN+H"	83.060376
"1537336"	240.205408	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+IsoProp+Na+H"	84.054008
"1000508"	120.109526	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+2ACN+2H"	84.067652
"1598290"	241.120028	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+K+HCOOH"	84.968628
"1427230"	271.151538	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+H+CF3COOH"	115.000138
"1155329"	140.622801	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+3ACN+2H"	125.094202
"1705975"	288.178085	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+NH4+CF3COOH"	132.026685
"1638348"	293.13348	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+Na+CF3COOH"	136.98208
"1584934"	309.10742	"C00553"	"()-Neomenthol"	"C10H20O"	"156.1514"	"M+K+CF3COOH"	152.95602
"816395"	87.0684	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M"	0
"989643"	68.05001	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-H2O-H"	-19.01839
"78373"	57.038324	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M-3H"	-3.021828
"517857"	86.061124	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M-3H"	-3.021828
"895303"	28.015524	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-3H"	-3.021828
"15548"	86.061124	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M-2H"	-2.014552
"455657"	129.595324	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M-2H"	-2.014552
"829293"	42.526924	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-2H"	-2.014552
"89652"	173.129524	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M-H"	-1.007276
"525565"	260.197924	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M-H"	-1.007276
"895913"	86.061124	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-H"	-1.007276
"50085"	190.156071	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M-2H+NH4"	16.019271
"492927"	277.224471	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M-2H+NH4"	16.019271
"877295"	103.087671	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-2H+NH4"	16.019271
"44101"	195.111466	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M-2H+Na"	20.974666
"481468"	282.179866	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M-2H+Na"	20.974666
"857082"	108.043066	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-2H+Na"	20.974666
"1625521"	108.043066	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Na-2H"	20.974666
"99862"	104.049463	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M-H+Cl"	33.962126
"540518"	147.583663	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M-H+Cl"	33.962126
"941330"	60.515263	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-H+Cl"	33.962126
"279523"	209.106202	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+Cl"	34.969402
"673768"	296.174602	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+Cl"	34.969402
"1288123"	122.037802	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Cl"	34.969402
"31175"	211.085406	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M-2H+K"	36.948606
"470112"	298.153806	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M-2H+K"	36.948606
"846087"	124.017006	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-2H+K"	36.948606
"1568844"	124.017006	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+K-2H"	36.948606
"957457"	132.066594	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-H+HCOOH"	44.998194
"376036"	219.135001	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+HCOOH-H"	44.998201
"360974"	233.150651	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+Hac-H"	59.013851
"1506927"	146.082251	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Hac-H"	59.013851
"973375"	154.048551	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-H+NaCOOH"	66.980151
"118272"	122.037802	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+2Cl"	69.938804
"557832"	165.572002	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+2Cl"	69.938804
"1027726"	78.503602	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2Cl"	69.938804
"1247303"	165.987285	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Br"	78.918885
"1306472"	168.043272	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Cl+HCOOH"	80.974872
"1329439"	190.025229	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Cl+NaCOOH"	102.956829
"921229"	200.053986	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M-H+CF3COOH"	112.985586
"1299031"	236.030664	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Cl+CF3COOH"	148.962264
"1379014"	52.055724	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H-2H2O"	-35.012676
"1388489"	70.0657	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H-H2O"	-17.0027
"292916"	175.144076	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+H"	1.007276
"678049"	262.212476	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+H"	1.007276
"1354762"	88.075676	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H"	1.007276
"134217"	88.075676	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+2H"	2.014552
"571591"	131.609876	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+2H"	2.014552
"1039662"	44.541476	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2H"	2.014552
"206832"	59.052876	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+3H"	3.021828
"647482"	88.075676	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+3H"	3.021828
"1167066"	30.030076	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+3H"	3.021828
"426692"	192.170623	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+NH4"	18.033823
"786598"	279.239023	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+NH4"	18.033823
"1683293"	105.102223	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+NH4"	18.033823
"330357"	96.5889495	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+H+NH4"	19.041099
"723260"	140.1231495	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+H+NH4"	19.041099
"1478300"	53.0547495	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H+NH4"	19.041099
"393942"	197.126018	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+Na"	22.989218
"754691"	284.194418	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+Na"	22.989218
"1603644"	110.057618	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Na"	22.989218
"317820"	99.066647	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+H+Na"	23.996494
"708417"	142.600847	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+H+Na"	23.996494
"1467342"	55.532447	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H+Na"	23.996494
"1054023"	37.35739	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2H+Na"	25.00377
"1257633"	120.101886	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+CH3OH+H"	33.033486
"377419"	213.099958	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+K"	38.963158
"738779"	300.168358	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+K"	38.963158
"1540105"	126.031558	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+K"	38.963158
"299232"	107.053617	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+H+K"	39.970434
"691813"	150.587817	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+H+K"	39.970434
"1445686"	63.519417	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H+K"	39.970434
"236139"	216.170626	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+ACN+H"	42.033826
"1211896"	129.102226	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+ACN+H"	42.033826
"1194845"	65.054751	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+ACN+2H"	43.041102
"191210"	219.10796	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+2Na-H"	44.97116
"633691"	306.17636	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+2Na-H"	44.97116
"1136105"	132.03956	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2Na-H"	44.97116
"173560"	110.057618	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+2Na"	45.978436
"614577"	153.591818	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+2Na"	45.978436
"1116012"	66.523418	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2Na"	45.978436
"1399050"	44.684704	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H+2Na"	46.985712
"1430230"	134.081146	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H+HCOOH"	47.012746
"220069"	115.09064	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+3H2O+2H"	56.04448
"1509165"	148.13319	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+IsoProp+H"	61.06479
"408978"	118.044588	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+Na+K"	61.952376
"770004"	161.578788	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+Na+K"	61.952376
"1665660"	74.510388	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Na+K"	61.952376
"251930"	238.152568	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+ACN+Na"	64.015768
"1226999"	151.084168	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+ACN+Na"	64.015768
"1720624"	151.107693	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+NH4+HCOOH"	64.039293
"1191091"	52.012018	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+3Na"	68.967654
"1661711"	156.063088	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Na+HCOOH"	68.994688
"171622"	251.05584	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+2K-H"	76.91904
"611427"	338.12424	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+2K-H"	76.91904
"1099463"	163.98744	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2K-H"	76.91904
"156524"	126.031558	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"2M+2K"	77.926316
"595115"	169.565758	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"3M+2K"	77.926316
"1082055"	82.497358	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2K"	77.926316
"1113681"	166.001992	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2K+H"	78.933592
"1351159"	166.089607	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+DMSO+H"	79.021207
"1020298"	170.128776	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2ACN+H"	83.060376
"1535259"	171.122408	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+IsoProp+Na+H"	84.054008
"1000618"	85.568026	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+2ACN+2H"	84.067652
"1598401"	172.037028	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+K+HCOOH"	84.968628
"1428798"	202.068538	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+H+CF3COOH"	115.000138
"1158719"	106.081301	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+3ACN+2H"	125.094202
"1706085"	219.095085	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+NH4+CF3COOH"	132.026685
"1639551"	224.05048	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+Na+CF3COOH"	136.98208
"1585044"	240.02442	"C00555"	"4-Aminobutyraldehyde;4-Aminobutanal"	"C4H9NO"	"87.0684"	"M+K+CF3COOH"	152.95602
"812128"	108.0575	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M"	0
"984570"	89.03911	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-H2O-H"	-19.01839
"77925"	71.0310573333333	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M-3H"	-3.021828
"516628"	107.050224	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M-3H"	-3.021828
"891271"	35.0118906666667	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-3H"	-3.021828
"12033"	107.050224	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M-2H"	-2.014552
"445031"	161.078974	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M-2H"	-2.014552
"828300"	53.021474	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-2H"	-2.014552
"90482"	215.107724	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M-H"	-1.007276
"529683"	323.165224	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M-H"	-1.007276
"900196"	107.050224	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-H"	-1.007276
"52383"	232.134271	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M-2H+NH4"	16.019271
"489756"	340.191771	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M-2H+NH4"	16.019271
"874119"	124.076771	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-2H+NH4"	16.019271
"43846"	237.089666	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M-2H+Na"	20.974666
"479391"	345.147166	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M-2H+Na"	20.974666
"856099"	129.032166	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-2H+Na"	20.974666
"1626725"	129.032166	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Na-2H"	20.974666
"99973"	125.038563	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M-H+Cl"	33.962126
"542815"	179.067313	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M-H+Cl"	33.962126
"941805"	71.009813	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-H+Cl"	33.962126
"279633"	251.084402	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+Cl"	34.969402
"673150"	359.141902	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+Cl"	34.969402
"1287749"	143.026902	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Cl"	34.969402
"31159"	253.063606	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M-2H+K"	36.948606
"469858"	361.121106	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M-2H+K"	36.948606
"845469"	145.006106	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-2H+K"	36.948606
"1567861"	145.006106	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+K-2H"	36.948606
"956110"	153.055694	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-H+HCOOH"	44.998194
"374688"	261.113201	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+HCOOH-H"	44.998201
"360276"	275.128851	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+Hac-H"	59.013851
"1506674"	167.071351	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Hac-H"	59.013851
"972393"	175.037651	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-H+NaCOOH"	66.980151
"119475"	143.026902	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+2Cl"	69.938804
"559035"	197.055652	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+2Cl"	69.938804
"1031117"	88.998152	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2Cl"	69.938804
"1249600"	186.976385	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Br"	78.918885
"1307674"	189.032372	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Cl+HCOOH"	80.974872
"1325176"	211.014329	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Cl+NaCOOH"	102.956829
"923162"	221.043086	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M-H+CF3COOH"	112.985586
"1299141"	257.019764	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Cl+CF3COOH"	148.962264
"1378760"	73.044824	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H-2H2O"	-35.012676
"1389694"	91.0548	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H-H2O"	-17.0027
"293755"	217.122276	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+H"	1.007276
"681805"	325.179776	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+H"	1.007276
"1356330"	109.064776	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H"	1.007276
"133234"	109.064776	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+2H"	2.014552
"571701"	163.093526	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+2H"	2.014552
"1039408"	55.036026	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2H"	2.014552
"206214"	73.0456093333333	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+3H"	3.021828
"646500"	109.064776	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+3H"	3.021828
"1164991"	37.0264426666667	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+3H"	3.021828
"429354"	234.148823	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+NH4"	18.033823
"788532"	342.206323	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+NH4"	18.033823
"1683401"	126.091323	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+NH4"	18.033823
"331438"	117.5780495	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+H+NH4"	19.041099
"724466"	171.6067995	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+H+NH4"	19.041099
"1477801"	63.5492995	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H+NH4"	19.041099
"394416"	239.104218	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+Na"	22.989218
"754679"	347.161718	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+Na"	22.989218
"1603506"	131.046718	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Na"	22.989218
"316837"	120.055747	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+H+Na"	23.996494
"707550"	174.084497	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+H+Na"	23.996494
"1467451"	66.026997	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H+Na"	23.996494
"1054375"	44.3537566666667	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2H+Na"	25.00377
"1257628"	141.090986	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+CH3OH+H"	33.033486
"377897"	255.078158	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+K"	38.963158
"739018"	363.135658	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+K"	38.963158
"1540706"	147.020658	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+K"	38.963158
"299587"	128.042717	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+H+K"	39.970434
"692980"	182.071467	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+H+K"	39.970434
"1446676"	74.013967	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H+K"	39.970434
"236858"	258.148826	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+ACN+H"	42.033826
"1213831"	150.091326	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+ACN+H"	42.033826
"1196617"	75.549301	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+ACN+2H"	43.041102
"191320"	261.08616	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+2Na-H"	44.97116
"634894"	369.14366	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+2Na-H"	44.97116
"1137309"	153.02866	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2Na-H"	44.97116
"174400"	131.046718	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+2Na"	45.978436
"614687"	185.075468	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+2Na"	45.978436
"1116490"	77.017968	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2Na"	45.978436
"1399281"	51.6810706666667	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H+2Na"	46.985712
"1431637"	155.070246	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H+HCOOH"	47.012746
"220612"	136.07974	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+3H2O+2H"	56.04448
"1508720"	169.12229	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+IsoProp+H"	61.06479
"409933"	139.033688	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+Na+K"	61.952376
"770683"	193.062438	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+Na+K"	61.952376
"1666284"	85.004938	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Na+K"	61.952376
"251959"	280.130768	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+ACN+Na"	64.015768
"1227226"	172.073268	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+ACN+Na"	64.015768
"1719276"	172.096793	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+NH4+HCOOH"	64.039293
"1189742"	59.0083846666667	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+3Na"	68.967654
"1657446"	177.052188	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Na+HCOOH"	68.994688
"171481"	293.03404	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+2K-H"	76.91904
"610806"	401.09154	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+2K-H"	76.91904
"1094947"	184.97654	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2K-H"	76.91904
"155654"	147.020658	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"2M+2K"	77.926316
"595585"	201.049408	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"3M+2K"	77.926316
"1082405"	92.991908	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2K"	77.926316
"1113912"	186.991092	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2K+H"	78.933592
"1348710"	187.078707	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+DMSO+H"	79.021207
"1021007"	191.117876	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2ACN+H"	83.060376
"1532089"	192.111508	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+IsoProp+Na+H"	84.054008
"999632"	96.062576	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+2ACN+2H"	84.067652
"1598511"	193.026128	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+K+HCOOH"	84.968628
"1428178"	223.057638	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+H+CF3COOH"	115.000138
"1155549"	116.575851	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+3ACN+2H"	125.094202
"1702915"	240.084185	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+NH4+CF3COOH"	132.026685
"1638568"	245.03958	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+Na+CF3COOH"	136.98208
"1585154"	261.01352	"C00556"	"Benzyl alcohol;alpha-Hydroxytoluene;Benzenemethanol;Phenylmethanol;Phenylcarbinol;Hydroxymethylbenzene"	"C7H8O"	"108.0575"	"M+K+CF3COOH"	152.95602
"814427"	84.0575	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M"	0
"989056"	65.03911	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-H2O-H"	-19.01839
"77795"	55.0310573333333	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M-3H"	-3.021828
"517956"	83.050224	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M-3H"	-3.021828
"895241"	27.0118906666667	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-3H"	-3.021828
"11050"	83.050224	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M-2H"	-2.014552
"449516"	125.078974	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M-2H"	-2.014552
"826225"	41.021474	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-2H"	-2.014552
"92416"	167.107724	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M-H"	-1.007276
"528338"	251.165224	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M-H"	-1.007276
"906502"	83.050224	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-H"	-1.007276
"59783"	184.134271	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M-2H+NH4"	16.019271
"500195"	268.191771	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M-2H+NH4"	16.019271
"875320"	100.076771	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-2H+NH4"	16.019271
"44314"	189.089666	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M-2H+Na"	20.974666
"476221"	273.147166	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M-2H+Na"	20.974666
"858396"	105.032166	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-2H+Na"	20.974666
"1625742"	105.032166	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Na-2H"	20.974666
"102270"	101.038563	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M-H+Cl"	33.962126
"542925"	143.067313	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M-H+Cl"	33.962126
"941065"	59.009813	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-H+Cl"	33.962126
"279744"	203.084402	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+Cl"	34.969402
"675092"	287.141902	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+Cl"	34.969402
"1287746"	119.026902	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Cl"	34.969402
"31354"	205.063606	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M-2H+K"	36.948606
"470949"	289.121106	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M-2H+K"	36.948606
"847404"	121.006106	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-2H+K"	36.948606
"1570405"	121.006106	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+K-2H"	36.948606
"957558"	129.055694	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-H+HCOOH"	44.998194
"375163"	213.113201	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+HCOOH-H"	44.998201
"359655"	227.128851	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+Hac-H"	59.013851
"1507269"	143.071351	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Hac-H"	59.013851
"972501"	151.037651	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-H+NaCOOH"	66.980151
"121772"	119.026902	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+2Cl"	69.938804
"563886"	161.055652	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+2Cl"	69.938804
"1033413"	76.998152	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2Cl"	69.938804
"1249711"	162.976385	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Br"	78.918885
"1309972"	165.032372	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Cl+HCOOH"	80.974872
"1330390"	187.014329	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Cl+NaCOOH"	102.956829
"924004"	197.043086	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M-H+CF3COOH"	112.985586
"1297430"	233.019764	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Cl+CF3COOH"	148.962264
"1380332"	49.044824	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H-2H2O"	-35.012676
"1394910"	67.0548	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H-H2O"	-17.0027
"293501"	169.122276	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+H"	1.007276
"680823"	253.179776	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+H"	1.007276
"1353892"	85.064776	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H"	1.007276
"137356"	85.064776	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+2H"	2.014552
"574364"	127.093526	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+2H"	2.014552
"1042798"	43.036026	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2H"	2.014552
"206324"	57.0456093333333	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+3H"	3.021828
"645884"	85.064776	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+3H"	3.021828
"1166197"	29.0264426666667	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+3H"	3.021828
"427279"	186.148823	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+NH4"	18.033823
"788278"	270.206323	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+NH4"	18.033823
"1684970"	102.091323	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+NH4"	18.033823
"332886"	93.5780495	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+H+NH4"	19.041099
"724574"	135.6067995	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+H+NH4"	19.041099
"1478402"	51.5492995	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H+NH4"	19.041099
"394891"	191.104218	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+Na"	22.989218
"759898"	275.161718	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+Na"	22.989218
"1604469"	107.046718	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Na"	22.989218
"319135"	96.055747	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+H+Na"	23.996494
"713741"	138.084497	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+H+Na"	23.996494
"1467561"	54.026997	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H+Na"	23.996494
"1053757"	36.3537566666667	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2H+Na"	25.00377
"1259198"	117.090986	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+CH3OH+H"	33.033486
"378624"	207.078158	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+K"	38.963158
"739131"	291.135658	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+K"	38.963158
"1544101"	123.020658	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+K"	38.963158
"300550"	104.042717	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+H+K"	39.970434
"693700"	146.071467	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+H+K"	39.970434
"1447154"	62.013967	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H+K"	39.970434
"236850"	210.148826	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+ACN+H"	42.033826
"1210530"	126.091326	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+ACN+H"	42.033826
"1195021"	63.549301	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+ACN+2H"	43.041102
"192161"	213.08616	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+2Na-H"	44.97116
"636099"	297.14366	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+2Na-H"	44.97116
"1138513"	129.02866	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2Na-H"	44.97116
"178523"	107.046718	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+2Na"	45.978436
"614801"	149.075468	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+2Na"	45.978436
"1120494"	65.017968	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2Na"	45.978436
"1398904"	43.6810706666667	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H+2Na"	46.985712
"1430168"	131.070246	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H+HCOOH"	47.012746
"226924"	112.07974	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+3H2O+2H"	56.04448
"1511706"	145.12229	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+IsoProp+H"	61.06479
"409931"	115.033688	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+Na+K"	61.952376
"770470"	157.062438	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+Na+K"	61.952376
"1667016"	73.004938	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Na+K"	61.952376
"252190"	232.130768	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+ACN+Na"	64.015768
"1226284"	148.073268	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+ACN+Na"	64.015768
"1714284"	148.096793	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+NH4+HCOOH"	64.039293
"1189852"	51.0083846666667	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+3Na"	68.967654
"1659744"	153.052188	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Na+HCOOH"	68.994688
"172076"	245.03404	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+2K-H"	76.91904
"610544"	329.09154	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+2K-H"	76.91904
"1096148"	160.97654	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2K-H"	76.91904
"155760"	123.020658	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"2M+2K"	77.926316
"595811"	165.049408	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"3M+2K"	77.926316
"1082994"	80.991908	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2K"	77.926316
"1113287"	162.991092	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2K+H"	78.933592
"1350161"	163.078707	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+DMSO+H"	79.021207
"1020388"	167.117876	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2ACN+H"	83.060376
"1534386"	168.111508	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+IsoProp+Na+H"	84.054008
"997556"	84.062576	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+2ACN+2H"	84.067652
"1599713"	169.026128	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+K+HCOOH"	84.968628
"1426831"	199.057638	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+H+CF3COOH"	115.000138
"1154565"	104.575851	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+3ACN+2H"	125.094202
"1705211"	216.084185	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+NH4+CF3COOH"	132.026685
"1638678"	221.03958	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+Na+CF3COOH"	136.98208
"1585264"	237.01352	"C00557"	"Cyclopentanone"	"C5H8O"	"84.0575"	"M+K+CF3COOH"	152.95602
"811255"	194.0427	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M"	0
"984790"	175.02431	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"78428"	128.354524	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"511502"	193.035424	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"895627"	63.673624	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"8973"	193.035424	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"445251"	290.056774	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"826334"	96.014074	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"90702"	387.078124	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"531724"	581.120824	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"906613"	193.035424	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"59163"	404.104671	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"499453"	598.147371	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"875428"	210.061971	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"40050"	409.060066	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"474144"	603.102766	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"856318"	215.017366	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1623664"	215.017366	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"96912"	211.023763	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"539755"	308.045113	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"942348"	114.002413	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"281435"	423.054802	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"675204"	617.097502	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1287612"	229.012102	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"30491"	425.034006	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"470979"	619.076706	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"848392"	230.991306	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1570272"	230.991306	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"958358"	239.040894	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"377098"	433.083601	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"360981"	447.099251	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1507260"	253.056551	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"972975"	261.022851	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"124802"	229.012102	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"564360"	326.033452	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1031336"	131.990752	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1252008"	272.961585	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1308990"	275.017572	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1331593"	296.999529	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"924114"	307.028286	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1297540"	343.004964	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1379347"	159.030024	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1393561"	177.04	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"290695"	389.092676	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"680933"	583.135376	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1353637"	195.049976	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"136737"	195.049976	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"573745"	292.071326	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1042908"	98.028626	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"206435"	130.369076	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"647089"	195.049976	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1172868"	65.688176	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"428485"	406.119223	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"790575"	600.161923	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1684352"	212.076523	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"332268"	203.5632495	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"723229"	300.5845995	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1481428"	106.5418995	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"394637"	411.074618	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"758916"	605.117318	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1607012"	217.031918	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"318516"	206.040947	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"712758"	303.062297	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1464756"	109.019597	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1053745"	73.01549	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1260037"	227.076186	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"380072"	427.048558	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"741430"	621.091258	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1545307"	233.005858	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"303214"	214.027917	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"695269"	311.049267	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1445844"	117.006567	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"236351"	430.119226	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1210437"	236.076526	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1195735"	118.541901	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"190083"	433.05656	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"632928"	627.09926	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1138623"	239.01386	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"175353"	217.031918	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"614303"	314.053268	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1120604"	120.010568	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1398646"	80.342804	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1429896"	241.055446	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"225941"	222.06494	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1511087"	255.10749	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"409555"	225.018888	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"770031"	322.040238	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1665790"	127.997538	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"252058"	452.101168	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1226232"	258.058468	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1715487"	258.081993	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1191055"	87.670118	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1659854"	263.037388	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"171943"	465.00444	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"611505"	659.04714	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1097351"	270.96174	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"155993"	233.005858	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"593730"	330.027208	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1083468"	135.984508	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1111453"	272.976292	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1350025"	273.063907	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1020743"	277.103076	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1536682"	278.096708	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1002039"	139.055176	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1598730"	279.011328	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1428034"	309.042838	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1154676"	159.568451	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1705321"	326.069385	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1644252"	331.02478	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1585374"	346.99872	"C00558"	"D-Tagaturonate;D-Tagaturonic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"809178"	251.1018	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M"	0
"984900"	232.08341	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H2O-H"	-19.01839
"77523"	166.393924	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-3H"	-3.021828
"508332"	250.094524	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-3H"	-3.021828
"892695"	82.693324	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-3H"	-3.021828
"9083"	250.094524	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H"	-2.014552
"442445"	375.645424	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H"	-2.014552
"819883"	124.543624	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H"	-2.014552
"87531"	501.196324	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-H"	-1.007276
"529281"	752.298124	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-H"	-1.007276
"905992"	250.094524	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H"	-1.007276
"53805"	518.222871	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+NH4"	16.019271
"497740"	769.324671	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+NH4"	16.019271
"874080"	267.121071	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+NH4"	16.019271
"40159"	523.178266	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+Na"	20.974666
"471700"	774.280066	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+Na"	20.974666
"853148"	272.076466	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+Na"	20.974666
"1620494"	272.076466	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na-2H"	20.974666
"94956"	268.082863	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-H+Cl"	33.962126
"539865"	393.633763	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-H+Cl"	33.962126
"941893"	142.531963	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+Cl"	33.962126
"282636"	537.173002	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Cl"	34.969402
"674570"	788.274802	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Cl"	34.969402
"1288170"	286.071202	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl"	34.969402
"30997"	539.152206	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+K"	36.948606
"470920"	790.254006	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+K"	36.948606
"847256"	288.050406	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+K"	36.948606
"1570017"	288.050406	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K-2H"	36.948606
"958142"	296.099994	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+HCOOH"	44.998194
"376989"	547.201801	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+HCOOH-H"	44.998201
"360846"	561.217451	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Hac-H"	59.013851
"1505543"	310.115651	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Hac-H"	59.013851
"971992"	318.081951	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+NaCOOH"	66.980151
"123085"	286.071202	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Cl"	69.938804
"557179"	411.622102	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Cl"	69.938804
"1027072"	160.520302	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Cl"	69.938804
"1248837"	330.020685	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Br"	78.918885
"1310193"	332.076672	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+HCOOH"	80.974872
"1330974"	354.058629	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+NaCOOH"	102.956829
"922036"	364.087386	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+CF3COOH"	112.985586
"1299837"	400.064064	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+CF3COOH"	148.962264
"1374718"	216.089124	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H-2H2O"	-35.012676
"1394399"	234.0991	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H-H2O"	-17.0027
"291898"	503.210876	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H"	1.007276
"676666"	754.312676	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H"	1.007276
"1353017"	252.109076	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H"	1.007276
"129189"	252.109076	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2H"	2.014552
"572032"	377.659976	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2H"	2.014552
"1039738"	126.558176	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2H"	2.014552
"206666"	168.408476	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+3H"	3.021828
"647199"	252.109076	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+3H"	3.021828
"1166418"	84.707876	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3H"	3.021828
"428594"	520.237423	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+NH4"	18.033823
"790684"	771.339223	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+NH4"	18.033823
"1683003"	269.135623	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4"	18.033823
"333471"	260.6223495	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+NH4"	19.041099
"726254"	386.1732495	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+NH4"	19.041099
"1478258"	135.0714495	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+NH4"	19.041099
"395840"	525.192818	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Na"	22.989218
"757932"	776.294618	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Na"	22.989218
"1608218"	274.091018	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na"	22.989218
"318262"	263.100047	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+Na"	23.996494
"711046"	388.650947	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+Na"	23.996494
"1463773"	137.549147	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+Na"	23.996494
"1053005"	92.03519	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2H+Na"	25.00377
"1259783"	284.135286	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+CH3OH+H"	33.033486
"377463"	541.166758	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+K"	38.963158
"741540"	792.268558	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+K"	38.963158
"1544324"	290.064958	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K"	38.963158
"299678"	271.087017	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+K"	39.970434
"691571"	396.637917	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+K"	39.970434
"1448106"	145.536117	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+K"	39.970434
"235696"	544.237426	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+ACN+H"	42.033826
"1210503"	293.135626	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+H"	42.033826
"1195117"	147.071451	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+2H"	43.041102
"190921"	547.17476	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Na-H"	44.97116
"633038"	798.27656	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Na-H"	44.97116
"1138733"	296.07296	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Na-H"	44.97116
"175705"	274.091018	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Na"	45.978436
"613441"	399.641918	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Na"	45.978436
"1117676"	148.540118	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Na"	45.978436
"1398960"	99.362504	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+2Na"	46.985712
"1430264"	298.114546	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+HCOOH"	47.012746
"222771"	279.12404	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+3H2O+2H"	56.04448
"1508762"	312.16659	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+IsoProp+H"	61.06479
"408647"	282.077988	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Na+K"	61.952376
"770135"	407.628888	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Na+K"	61.952376
"1665804"	156.527088	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+K"	61.952376
"251480"	566.219368	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+ACN+Na"	64.015768
"1226464"	315.117568	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+Na"	64.015768
"1713896"	315.141093	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4+HCOOH"	64.039293
"1188979"	106.689818	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3Na"	68.967654
"1658871"	320.096488	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+HCOOH"	68.994688
"169015"	579.12264	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2K-H"	76.91904
"610762"	830.22444	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2K-H"	76.91904
"1094180"	328.02084	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K-H"	76.91904
"156915"	290.064958	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2K"	77.926316
"596513"	415.615858	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2K"	77.926316
"1083863"	164.514058	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K"	77.926316
"1112653"	330.035392	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K+H"	78.933592
"1350986"	330.123007	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+DMSO+H"	79.021207
"1018666"	334.162176	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2ACN+H"	83.060376
"1536792"	335.155808	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+IsoProp+Na+H"	84.054008
"1002147"	167.584726	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2ACN+2H"	84.067652
"1598841"	336.070428	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K+HCOOH"	84.968628
"1427779"	366.101938	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+CF3COOH"	115.000138
"1154785"	188.098001	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3ACN+2H"	125.094202
"1705431"	383.128485	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4+CF3COOH"	132.026685
"1644362"	388.08388	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+CF3COOH"	136.98208
"1585484"	404.05782	"C00559"	"Deoxyadenosine;2-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K+CF3COOH"	152.95602
"809288"	133.0528	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M"	0
"986832"	114.03441	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-H2O-H"	-19.01839
"77630"	87.6945906666667	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M-3H"	-3.021828
"508442"	132.045524	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M-3H"	-3.021828
"892805"	43.3436573333333	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-3H"	-3.021828
"7006"	132.045524	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M-2H"	-2.014552
"440073"	198.571924	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M-2H"	-2.014552
"818900"	65.519124	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-2H"	-2.014552
"87641"	265.098324	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M-H"	-1.007276
"525014"	398.151124	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M-H"	-1.007276
"901726"	132.045524	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-H"	-1.007276
"52821"	282.124871	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M-2H+NH4"	16.019271
"493475"	415.177671	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M-2H+NH4"	16.019271
"871275"	149.072071	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-2H+NH4"	16.019271
"35894"	287.080266	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M-2H+Na"	20.974666
"476551"	420.133066	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M-2H+Na"	20.974666
"853259"	154.027466	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-2H+Na"	20.974666
"1620604"	154.027466	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Na-2H"	20.974666
"94341"	150.033863	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M-H+Cl"	33.962126
"539975"	216.560263	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M-H+Cl"	33.962126
"942367"	83.507463	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-H+Cl"	33.962126
"280435"	301.075002	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+Cl"	34.969402
"675454"	434.127802	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+Cl"	34.969402
"1288067"	168.022202	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Cl"	34.969402
"30863"	303.054206	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M-2H+K"	36.948606
"470294"	436.107006	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M-2H+K"	36.948606
"847894"	170.001406	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-2H+K"	36.948606
"1567938"	170.001406	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+K-2H"	36.948606
"955455"	178.050994	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-H+HCOOH"	44.998194
"371847"	311.103801	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+HCOOH-H"	44.998201
"357916"	325.119451	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+Hac-H"	59.013851
"1499092"	192.066651	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Hac-H"	59.013851
"962260"	200.032951	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-H+NaCOOH"	66.980151
"116634"	168.022202	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+2Cl"	69.938804
"552916"	234.548602	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+2Cl"	69.938804
"1026090"	101.495802	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2Cl"	69.938804
"1246761"	211.971685	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Br"	78.918885
"1308117"	214.027672	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Cl+HCOOH"	80.974872
"1331084"	236.009629	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Cl+NaCOOH"	102.956829
"925062"	246.038386	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M-H+CF3COOH"	112.985586
"1301770"	282.015064	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Cl+CF3COOH"	148.962264
"1377014"	98.040124	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H-2H2O"	-35.012676
"1393415"	116.0501	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H-H2O"	-17.0027
"293831"	267.112876	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+H"	1.007276
"677872"	400.165676	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+H"	1.007276
"1356409"	134.060076	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H"	1.007276
"129299"	134.060076	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+2H"	2.014552
"571049"	200.586476	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+2H"	2.014552
"1038996"	67.533676	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2H"	2.014552
"206655"	89.7091426666667	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+3H"	3.021828
"648402"	134.060076	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+3H"	3.021828
"1167621"	45.3582093333333	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+3H"	3.021828
"427611"	284.139423	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+NH4"	18.033823
"789701"	417.192223	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+NH4"	18.033823
"1683842"	151.086623	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+NH4"	18.033823
"332852"	142.5733495	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+H+NH4"	19.041099
"727458"	209.0997495	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+H+NH4"	19.041099
"1480555"	76.0469495	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H+NH4"	19.041099
"394492"	289.094818	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+Na"	22.989218
"756947"	422.147618	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+Na"	22.989218
"1609420"	156.042018	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Na"	22.989218
"317279"	145.051047	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+H+Na"	23.996494
"708605"	211.577447	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+H+Na"	23.996494
"1463519"	78.524647	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H+Na"	23.996494
"1054938"	52.6855233333333	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2H+Na"	25.00377
"1261716"	166.086286	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+CH3OH+H"	33.033486
"379561"	305.068758	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+K"	38.963158
"742743"	438.121558	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+K"	38.963158
"1545526"	172.015958	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+K"	38.963158
"300518"	153.038017	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+H+K"	39.970434
"692575"	219.564417	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+H+K"	39.970434
"1448946"	86.511617	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H+K"	39.970434
"236083"	308.139426	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+ACN+H"	42.033826
"1211100"	175.086626	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+ACN+H"	42.033826
"1195593"	88.046951	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+ACN+2H"	43.041102
"190304"	311.07676	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+2Na-H"	44.97116
"633148"	444.12956	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+2Na-H"	44.97116
"1136655"	178.02396	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2Na-H"	44.97116
"175814"	156.042018	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+2Na"	45.978436
"616225"	222.568418	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+2Na"	45.978436
"1115641"	89.515618	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2Na"	45.978436
"1398989"	60.0128373333333	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H+2Na"	46.985712
"1430131"	180.065546	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H+HCOOH"	47.012746
"222881"	161.07504	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+3H2O+2H"	56.04448
"1508792"	194.11759	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+IsoProp+H"	61.06479
"408587"	164.028988	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+Na+K"	61.952376
"769976"	230.555388	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+Na+K"	61.952376
"1665627"	97.502588	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Na+K"	61.952376
"251483"	330.121368	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+ACN+Na"	64.015768
"1225968"	197.068568	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+ACN+Na"	64.015768
"1713398"	197.092093	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+NH4+HCOOH"	64.039293
"1185808"	67.3401513333333	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+3Na"	68.967654
"1656794"	202.047488	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Na+HCOOH"	68.994688
"166937"	343.02464	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+2K-H"	76.91904
"608684"	476.07744	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+2K-H"	76.91904
"1094290"	209.97184	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2K-H"	76.91904
"150012"	172.015958	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"2M+2K"	77.926316
"592853"	238.542358	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"3M+2K"	77.926316
"1079554"	105.489558	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2K"	77.926316
"1110574"	211.986392	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2K+H"	78.933592
"1348055"	212.074007	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+DMSO+H"	79.021207
"1020598"	216.113176	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2ACN+H"	83.060376
"1536902"	217.106808	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+IsoProp+Na+H"	84.054008
"1001164"	108.560226	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+2ACN+2H"	84.067652
"1601866"	218.021428	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+K+HCOOH"	84.968628
"1427889"	248.052938	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+H+CF3COOH"	115.000138
"1152709"	129.073501	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+3ACN+2H"	125.094202
"1704447"	265.079485	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+NH4+CF3COOH"	132.026685
"1644472"	270.03488	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+Na+CF3COOH"	136.98208
"1585594"	286.00882	"C00561"	"Mandelonitrile;Benzaldehyde cyanohydrin;(R)-Mandelonitrile"	"C8H7NO"	"133.0528"	"M+K+CF3COOH"	152.95602
"812679"	543.1982	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M"	0
"986217"	524.17981	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-H2O-H"	-19.01839
"68990"	361.124857333333	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M-3H"	-3.021828
"508552"	542.190924	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M-3H"	-3.021828
"892915"	180.058790666667	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-3H"	-3.021828
"7116"	542.190924	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M-2H"	-2.014552
"446675"	813.790024	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M-2H"	-2.014552
"829947"	270.591824	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-2H"	-2.014552
"87752"	1085.389124	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M-H"	-1.007276
"524033"	1628.587324	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M-H"	-1.007276
"902931"	542.190924	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-H"	-1.007276
"52930"	1102.415671	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M-2H+NH4"	16.019271
"497594"	1645.613871	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M-2H+NH4"	16.019271
"874665"	559.217471	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-2H+NH4"	16.019271
"31642"	1107.371066	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M-2H+Na"	20.974666
"473379"	1650.569266	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M-2H+Na"	20.974666
"849359"	564.172866	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-2H+Na"	20.974666
"1618598"	564.172866	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Na-2H"	20.974666
"97245"	560.179263	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M-H+Cl"	33.962126
"543366"	831.778363	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M-H+Cl"	33.962126
"938705"	288.580163	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-H+Cl"	33.962126
"282333"	1121.365802	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+Cl"	34.969402
"675286"	1664.564002	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+Cl"	34.969402
"1288409"	578.167602	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Cl"	34.969402
"30933"	1123.345006	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M-2H+K"	36.948606
"470534"	1666.543206	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M-2H+K"	36.948606
"847850"	580.146806	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-2H+K"	36.948606
"1570852"	580.146806	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+K-2H"	36.948606
"957639"	588.196394	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-H+HCOOH"	44.998194
"376339"	1131.394601	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+HCOOH-H"	44.998201
"359119"	1145.410251	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+Hac-H"	59.013851
"1506857"	602.212051	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Hac-H"	59.013851
"965652"	610.178351	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-H+NaCOOH"	66.980151
"115653"	578.167602	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+2Cl"	69.938804
"558492"	849.766702	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+2Cl"	69.938804
"1028385"	306.568502	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2Cl"	69.938804
"1247963"	622.117085	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Br"	78.918885
"1318441"	624.173072	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Cl+HCOOH"	80.974872
"1330103"	646.155029	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Cl+NaCOOH"	102.956829
"925538"	656.183786	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M-H+CF3COOH"	112.985586
"1303342"	692.160464	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Cl+CF3COOH"	148.962264
"1381502"	508.185524	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H-2H2O"	-35.012676
"1396078"	526.1955	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H-H2O"	-17.0027
"287749"	1087.403676	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+H"	1.007276
"680169"	1630.601876	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+H"	1.007276
"1355427"	544.205476	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H"	1.007276
"129409"	544.205476	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+2H"	2.014552
"571156"	815.804576	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+2H"	2.014552
"1039106"	272.606376	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2H"	2.014552
"207858"	363.139409333333	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+3H"	3.021828
"647417"	544.205476	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+3H"	3.021828
"1171009"	182.073342666667	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+3H"	3.021828
"432099"	1104.430223	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+NH4"	18.033823
"791999"	1647.628423	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+NH4"	18.033823
"1681889"	561.232023	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+NH4"	18.033823
"332598"	552.7187495	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+H+NH4"	19.041099
"726846"	824.3178495	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+H+NH4"	19.041099
"1478600"	281.1196495	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H+NH4"	19.041099
"401532"	1109.385618	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+Na"	22.989218
"758152"	1652.583818	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+Na"	22.989218
"1612822"	566.187418	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Na"	22.989218
"321764"	555.196447	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+H+Na"	23.996494
"708716"	826.795547	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+H+Na"	23.996494
"1462900"	283.597347	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H+Na"	23.996494
"1055052"	189.400656666667	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2H+Na"	25.00377
"1261830"	576.231686	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+CH3OH+H"	33.033486
"382593"	1125.359558	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+K"	38.963158
"742495"	1668.557758	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+K"	38.963158
"1543456"	582.161358	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+K"	38.963158
"301723"	563.183417	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+H+K"	39.970434
"695237"	834.782517	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+H+K"	39.970434
"1446019"	291.584317	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H+K"	39.970434
"235958"	1128.430226	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+ACN+H"	42.033826
"1211828"	585.232026	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+ACN+H"	42.033826
"1196813"	293.119651	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+ACN+2H"	43.041102
"192605"	1131.36756	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+2Na-H"	44.97116
"632167"	1674.56576	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+2Na-H"	44.97116
"1140045"	588.16936	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2Na-H"	44.97116
"175682"	566.187418	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+2Na"	45.978436
"619615"	837.786518	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+2Na"	45.978436
"1116925"	294.588318	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2Na"	45.978436
"1404459"	196.727970666667	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H+2Na"	46.985712
"1430133"	590.210946	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H+HCOOH"	47.012746
"220304"	571.22044	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+3H2O+2H"	56.04448
"1508512"	604.26299	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+IsoProp+H"	61.06479
"408583"	574.174388	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+Na+K"	61.952376
"770998"	845.773488	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+Na+K"	61.952376
"1666356"	302.575288	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Na+K"	61.952376
"251498"	1150.412168	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+ACN+Na"	64.015768
"1225639"	607.213968	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+ACN+Na"	64.015768
"1718377"	607.237493	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+NH4+HCOOH"	64.039293
"1189200"	204.055284666667	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+3Na"	68.967654
"1652529"	612.192888	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Na+HCOOH"	68.994688
"162671"	1163.31544	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+2K-H"	76.91904
"601502"	1706.51364	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+2K-H"	76.91904
"1088201"	620.11724	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2K-H"	76.91904
"149029"	582.161358	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"2M+2K"	77.926316
"590778"	853.760458	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"3M+2K"	77.926316
"1077477"	310.562258	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2K"	77.926316
"1110690"	622.131792	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2K+H"	78.933592
"1347075"	622.219407	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+DMSO+H"	79.021207
"1018522"	626.258576	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2ACN+H"	83.060376
"1533732"	627.252208	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+IsoProp+Na+H"	84.054008
"999088"	313.632926	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+2ACN+2H"	84.067652
"1601245"	628.166828	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+K+HCOOH"	84.968628
"1418157"	658.198338	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+H+CF3COOH"	115.000138
"1151725"	334.146201	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+3ACN+2H"	125.094202
"1700182"	675.224885	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+NH4+CF3COOH"	132.026685
"1634863"	680.18028	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+Na+CF3COOH"	136.98208
"1585705"	696.15422	"C00563"	"Phosphoramidon"	"C23H34N3O10P"	"543.1982"	"M+K+CF3COOH"	152.95602
"811696"	59.0735	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M"	0
"985234"	40.05511	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-H2O-H"	-19.01839
"71286"	38.3750573333333	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M-3H"	-3.021828
"514129"	58.066224	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M-3H"	-3.021828
"891932"	18.6838906666667	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-3H"	-3.021828
"7226"	58.066224	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M-2H"	-2.014552
"448971"	87.602974	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M-2H"	-2.014552
"823496"	28.529474	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-2H"	-2.014552
"85675"	117.139724	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M-H"	-1.007276
"523049"	176.213224	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M-H"	-1.007276
"900851"	58.066224	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-H"	-1.007276
"53038"	134.166271	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M-2H+NH4"	16.019271
"496971"	193.239771	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M-2H+NH4"	16.019271
"868212"	75.092771	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-2H+NH4"	16.019271
"32832"	139.121666	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M-2H+Na"	20.974666
"472189"	198.195166	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M-2H+Na"	20.974666
"851290"	80.048166	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-2H+Na"	20.974666
"1618996"	80.048166	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Na-2H"	20.974666
"98448"	76.054563	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M-H+Cl"	33.962126
"543476"	105.591313	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M-H+Cl"	33.962126
"939911"	46.517813	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-H+Cl"	33.962126
"281630"	153.116402	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+Cl"	34.969402
"674784"	212.189902	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+Cl"	34.969402
"1288163"	94.042902	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Cl"	34.969402
"30873"	155.095606	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M-2H+K"	36.948606
"470757"	214.169106	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M-2H+K"	36.948606
"847222"	96.022106	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-2H+K"	36.948606
"1569249"	96.022106	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+K-2H"	36.948606
"957377"	104.071694	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-H+HCOOH"	44.998194
"375344"	163.145201	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+HCOOH-H"	44.998201
"358136"	177.160851	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+Hac-H"	59.013851
"1507332"	118.087351	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Hac-H"	59.013851
"965762"	126.053651	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-H+NaCOOH"	66.980151
"114670"	94.042902	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+2Cl"	69.938804
"555686"	123.579652	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+2Cl"	69.938804
"1035059"	64.506152	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2Cl"	69.938804
"1249165"	137.992385	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Br"	78.918885
"1311621"	140.048372	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Cl+HCOOH"	80.974872
"1328023"	162.030329	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Cl+NaCOOH"	102.956829
"920175"	172.059086	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M-H+CF3COOH"	112.985586
"1301989"	208.035764	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Cl+CF3COOH"	148.962264
"1379785"	24.060824	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H-2H2O"	-35.012676
"1395824"	42.0708	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H-H2O"	-17.0027
"287855"	119.154276	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+H"	1.007276
"680278"	178.227776	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+H"	1.007276
"1358816"	60.080776	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H"	1.007276
"132798"	60.080776	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+2H"	2.014552
"571266"	89.617526	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+2H"	2.014552
"1043344"	30.544026	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2H"	2.014552
"210152"	40.3896093333333	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+3H"	3.021828
"646433"	60.080776	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+3H"	3.021828
"1163826"	20.6984426666667	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+3H"	3.021828
"426742"	136.180823	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+NH4"	18.033823
"792109"	195.254323	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+NH4"	18.033823
"1685157"	77.107323	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+NH4"	18.033823
"332343"	68.5940495	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+H+NH4"	19.041099
"726956"	98.1307995	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+H+NH4"	19.041099
"1481869"	39.0572995	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H+NH4"	19.041099
"401642"	141.136218	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+Na"	22.989218
"757169"	200.209718	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+Na"	22.989218
"1606360"	82.062718	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Na"	22.989218
"321874"	71.071747	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+H+Na"	23.996494
"708704"	100.608497	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+H+Na"	23.996494
"1462888"	41.534997	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H+Na"	23.996494
"1056984"	28.0257566666667	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2H+Na"	25.00377
"1265221"	92.106986	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+CH3OH+H"	33.033486
"383796"	157.110158	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+K"	38.963158
"744790"	216.183658	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+K"	38.963158
"1543566"	98.036658	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+K"	38.963158
"304019"	79.058717	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+H+K"	39.970434
"696440"	108.595467	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+H+K"	39.970434
"1446620"	49.521967	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H+K"	39.970434
"237773"	160.180826	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+ACN+H"	42.033826
"1211939"	101.107326	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+ACN+H"	42.033826
"1197652"	51.057301	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+ACN+2H"	43.041102
"190527"	163.11816	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+2Na-H"	44.97116
"629034"	222.19166	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+2Na-H"	44.97116
"1133594"	104.04466	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2Na-H"	44.97116
"175791"	82.062718	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+2Na"	45.978436
"616445"	111.599468	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+2Na"	45.978436
"1117765"	52.525968	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2Na"	45.978436
"1404569"	35.3530706666667	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H+2Na"	46.985712
"1432312"	106.086246	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H+HCOOH"	47.012746
"220660"	87.09574	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+3H2O+2H"	56.04448
"1508727"	120.13829	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+IsoProp+H"	61.06479
"409627"	90.049688	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+Na+K"	61.952376
"770745"	119.586438	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+Na+K"	61.952376
"1667440"	60.512938	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Na+K"	61.952376
"251493"	182.162768	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+ACN+Na"	64.015768
"1225859"	123.089268	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+ACN+Na"	64.015768
"1721767"	123.112793	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+NH4+HCOOH"	64.039293
"1188215"	42.6803846666667	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+3Na"	68.967654
"1651908"	128.068188	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Na+HCOOH"	68.994688
"161688"	195.06604	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+2K-H"	76.91904
"601249"	254.13954	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+2K-H"	76.91904
"1094510"	135.99254	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2K-H"	76.91904
"145859"	98.036658	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"2M+2K"	77.926316
"585420"	127.573408	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"3M+2K"	77.926316
"1074307"	68.499908	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2K"	77.926316
"1110798"	138.007092	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2K+H"	78.933592
"1346089"	138.094707	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+DMSO+H"	79.021207
"1014623"	142.133876	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2ACN+H"	83.060376
"1532749"	143.127508	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+IsoProp+Na+H"	84.054008
"999197"	71.570576	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+2ACN+2H"	84.067652
"1599167"	144.042128	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+K+HCOOH"	84.968628
"1417173"	174.073638	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+H+CF3COOH"	115.000138
"1150742"	92.083851	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+3ACN+2H"	125.094202
"1698227"	191.100185	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+NH4+CF3COOH"	132.026685
"1635215"	196.05558	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+Na+CF3COOH"	136.98208
"1585815"	212.02952	"C00565"	"Trimethylamine;(CH3)3N;NN-Dimethylmethanamine"	"C3H9N"	"59.0735"	"M+K+CF3COOH"	152.95602
"811806"	941.1316	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M"	0
"987530"	922.11321	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-H2O-H"	-19.01839
"73583"	626.413790666667	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M-3H"	-3.021828
"516426"	940.124324	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M-3H"	-3.021828
"888762"	312.703257333333	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-3H"	-3.021828
"8430"	940.124324	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M-2H"	-2.014552
"451268"	1410.690124	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M-2H"	-2.014552
"826886"	469.558524	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-2H"	-2.014552
"89063"	1881.255924	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M-H"	-1.007276
"527533"	2822.387524	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M-H"	-1.007276
"901325"	940.124324	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-H"	-1.007276
"49868"	1898.282471	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M-2H+NH4"	16.019271
"492707"	2839.414071	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M-2H+NH4"	16.019271
"869414"	957.150871	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-2H+NH4"	16.019271
"31728"	1903.237866	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M-2H+Na"	20.974666
"472868"	2844.369466	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M-2H+Na"	20.974666
"854680"	962.106266	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-2H+Na"	20.974666
"1620933"	962.106266	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Na-2H"	20.974666
"100745"	958.112663	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M-H+Cl"	33.962126
"542493"	1428.678463	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M-H+Cl"	33.962126
"940750"	487.546863	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-H+Cl"	33.962126
"282471"	1917.232602	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+Cl"	34.969402
"675135"	2858.364202	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+Cl"	34.969402
"1288146"	976.101002	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Cl"	34.969402
"31325"	1919.211806	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M-2H+K"	36.948606
"470259"	2860.343406	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M-2H+K"	36.948606
"848426"	978.080206	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-2H+K"	36.948606
"1570091"	978.080206	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+K-2H"	36.948606
"957568"	986.129794	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-H+HCOOH"	44.998194
"375096"	1927.261401	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+HCOOH-H"	44.998201
"359220"	1941.277051	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+Hac-H"	59.013851
"1506959"	1000.145451	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Hac-H"	59.013851
"968058"	1008.111751	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-H+NaCOOH"	66.980151
"115872"	976.101002	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+2Cl"	69.938804
"556527"	1446.666802	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+2Cl"	69.938804
"1031884"	505.535202	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2Cl"	69.938804
"1248187"	1020.050485	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Br"	78.918885
"1315742"	1022.106472	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Cl+HCOOH"	80.974872
"1331416"	1044.088429	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Cl+NaCOOH"	102.956829
"924665"	1054.117186	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M-H+CF3COOH"	112.985586
"1302828"	1090.093864	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Cl+CF3COOH"	148.962264
"1377343"	906.118924	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H-2H2O"	-35.012676
"1394475"	924.1289	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H-H2O"	-17.0027
"291247"	1883.270476	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+H"	1.007276
"683669"	2824.402076	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+H"	1.007276
"1360751"	942.138876	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H"	1.007276
"132911"	942.138876	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+2H"	2.014552
"570283"	1412.704676	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+2H"	2.014552
"1045641"	471.573076	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2H"	2.014552
"208076"	628.428342666667	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+3H"	3.021828
"645814"	942.138876	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+3H"	3.021828
"1166856"	314.717809333333	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+3H"	3.021828
"431226"	1900.297023	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+NH4"	18.033823
"796594"	2841.428623	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+NH4"	18.033823
"1683567"	959.165423	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+NH4"	18.033823
"331359"	950.6521495	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+H+NH4"	19.041099
"730346"	1421.2179495	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+H+NH4"	19.041099
"1480885"	480.0863495	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H+NH4"	19.041099
"399565"	1905.252418	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+Na"	22.989218
"758372"	2846.384018	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+Na"	22.989218
"1605131"	964.120818	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Na"	22.989218
"321983"	953.129847	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+H+Na"	23.996494
"710758"	1423.695647	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+H+Na"	23.996494
"1474784"	482.564047	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H+Na"	23.996494
"1063654"	322.045123333333	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2H+Na"	25.00377
"1263144"	974.165086	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+CH3OH+H"	33.033486
"382812"	1921.226358	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+K"	38.963158
"742714"	2862.357958	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+K"	38.963158
"1545863"	980.094758	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+K"	38.963158
"302309"	961.116817	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+H+K"	39.970434
"695456"	1431.682617	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+H+K"	39.970434
"1448189"	490.551017	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H+K"	39.970434
"238978"	1924.297026	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+ACN+H"	42.033826
"1210715"	983.165426	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+ACN+H"	42.033826
"1201042"	492.086351	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+ACN+2H"	43.041102
"196105"	1927.23436	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+2Na-H"	44.97116
"634575"	2868.36596	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+2Na-H"	44.97116
"1140265"	986.10276	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2Na-H"	44.97116
"176995"	964.120818	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+2Na"	45.978436
"616555"	1434.686618	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+2Na"	45.978436
"1124436"	493.555018	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2Na"	45.978436
"1407959"	329.372437333333	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H+2Na"	46.985712
"1436797"	988.144346	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H+HCOOH"	47.012746
"221140"	969.15384	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+3H2O+2H"	56.04448
"1508960"	1002.19639	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+IsoProp+H"	61.06479
"410226"	972.107788	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+Na+K"	61.952376
"771949"	1442.673588	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+Na+K"	61.952376
"1671196"	501.541988	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Na+K"	61.952376
"253103"	1946.278968	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+ACN+Na"	64.015768
"1226787"	1005.147368	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+ACN+Na"	64.015768
"1721878"	1005.170893	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+NH4+HCOOH"	64.039293
"1187233"	336.699751333333	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+3Na"	68.967654
"1651654"	1010.126288	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Na+HCOOH"	68.994688
"162891"	1959.18224	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+2K-H"	76.91904
"602450"	2900.31384	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+2K-H"	76.91904
"1091339"	1018.05064	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2K-H"	76.91904
"145968"	980.094758	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"2M+2K"	77.926316
"585530"	1450.660558	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"3M+2K"	77.926316
"1076600"	509.528958	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2K"	77.926316
"1107627"	1020.065192	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2K+H"	78.933592
"1344011"	1020.152807	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+DMSO+H"	79.021207
"1014732"	1024.191976	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2ACN+H"	83.060376
"1533951"	1025.185608	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+IsoProp+Na+H"	84.054008
"998213"	512.599626	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+2ACN+2H"	84.067652
"1597090"	1026.100228	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+K+HCOOH"	84.968628
"1419468"	1056.131738	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+H+CF3COOH"	115.000138
"1153039"	533.112901	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+3ACN+2H"	125.094202
"1703684"	1073.158285	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+NH4+CF3COOH"	132.026685
"1635327"	1078.11368	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+Na+CF3COOH"	136.98208
"1585925"	1094.08762	"C00566"	"(3S)-Citryl-CoA"	"C27H42N7O22P3S"	"941.1316"	"M+K+CF3COOH"	152.95602
"813009"	137.0477	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M"	0
"987276"	118.02931	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H2O-H"	-19.01839
"73693"	90.3578573333333	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-3H"	-3.021828
"517266"	136.040424	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-3H"	-3.021828
"888872"	44.6752906666667	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-3H"	-3.021828
"9633"	136.040424	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H"	-2.014552
"452471"	204.564274	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H"	-2.014552
"823716"	67.516574	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H"	-2.014552
"88080"	273.088124	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-H"	-1.007276
"526546"	410.135824	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-H"	-1.007276
"899978"	136.040424	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H"	-1.007276
"48151"	290.114671	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H+NH4"	16.019271
"493910"	427.162371	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H+NH4"	16.019271
"869524"	153.066971	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H+NH4"	16.019271
"33540"	295.070066	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H+Na"	20.974666
"472857"	432.117766	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H+Na"	20.974666
"852601"	158.022366	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H+Na"	20.974666
"1622137"	158.022366	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na-2H"	20.974666
"97570"	154.028763	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-H+Cl"	33.962126
"542603"	222.552613	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-H+Cl"	33.962126
"933931"	85.504913	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+Cl"	33.962126
"282826"	309.064802	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Cl"	34.969402
"675645"	446.112502	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+Cl"	34.969402
"1288460"	172.017102	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl"	34.969402
"31359"	311.044006	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M-2H+K"	36.948606
"471365"	448.091706	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M-2H+K"	36.948606
"848450"	173.996306	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-2H+K"	36.948606
"1569106"	173.996306	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K-2H"	36.948606
"956989"	182.045894	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+HCOOH"	44.998194
"374109"	319.093601	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+HCOOH-H"	44.998201
"358356"	333.109251	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Hac-H"	59.013851
"1506094"	196.061551	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Hac-H"	59.013851
"965983"	204.027851	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+NaCOOH"	66.980151
"118168"	172.017102	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2Cl"	69.938804
"558823"	240.540952	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2Cl"	69.938804
"1031996"	103.493252	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2Cl"	69.938804
"1248661"	215.966585	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Br"	78.918885
"1315123"	218.022572	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl+HCOOH"	80.974872
"1333349"	240.004529	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl+NaCOOH"	102.956829
"925504"	250.033286	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M-H+CF3COOH"	112.985586
"1303306"	286.009964	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Cl+CF3COOH"	148.962264
"1377453"	102.035024	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H-2H2O"	-35.012676
"1391669"	120.045	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H-H2O"	-17.0027
"291360"	275.102676	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H"	1.007276
"684875"	412.150376	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H"	1.007276
"1363777"	138.054976	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H"	1.007276
"138124"	138.054976	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2H"	2.014552
"573674"	206.578826	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2H"	2.014552
"1045388"	69.531126	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2H"	2.014552
"209281"	92.3724093333333	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+3H"	3.021828
"651027"	138.054976	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+3H"	3.021828
"1166966"	46.6898426666667	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+3H"	3.021828
"432430"	292.129223	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+NH4"	18.033823
"793424"	429.176923	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+NH4"	18.033823
"1683556"	155.081523	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+NH4"	18.033823
"330253"	146.5682495	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H+NH4"	19.041099
"729363"	215.0920995	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H+NH4"	19.041099
"1482089"	78.0443995	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+NH4"	19.041099
"396395"	297.084618	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Na"	22.989218
"757389"	434.132318	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+Na"	22.989218
"1604635"	160.036918	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na"	22.989218
"318813"	149.045947	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H+Na"	23.996494
"708680"	217.569797	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H+Na"	23.996494
"1474772"	80.522097	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+Na"	23.996494
"1063764"	54.0171566666667	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2H+Na"	25.00377
"1265442"	170.081186	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+CH3OH+H"	33.033486
"382922"	313.058558	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+K"	38.963158
"742823"	450.106258	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+K"	38.963158
"1541231"	176.010858	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K"	38.963158
"303146"	157.032917	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+H+K"	39.970434
"693741"	225.556767	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+H+K"	39.970434
"1447206"	88.509067	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+K"	39.970434
"236901"	316.129226	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+ACN+H"	42.033826
"1210704"	179.081526	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+ACN+H"	42.033826
"1194957"	90.044401	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+ACN+2H"	43.041102
"196215"	319.06656	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2Na-H"	44.97116
"637965"	456.11426	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2Na-H"	44.97116
"1139282"	182.01886	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2Na-H"	44.97116
"179292"	160.036918	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2Na"	45.978436
"617029"	228.560768	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2Na"	45.978436
"1124546"	91.513068	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2Na"	45.978436
"1408069"	61.3444706666667	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+2Na"	46.985712
"1435814"	184.060446	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+HCOOH"	47.012746
"220887"	165.06994	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+3H2O+2H"	56.04448
"1509924"	198.11249	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+IsoProp+H"	61.06479
"410337"	168.023888	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+Na+K"	61.952376
"771698"	236.547738	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+Na+K"	61.952376
"1669849"	99.500038	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na+K"	61.952376
"252853"	338.111168	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+ACN+Na"	64.015768
"1226654"	201.063468	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+ACN+Na"	64.015768
"1723081"	201.086993	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+NH4+HCOOH"	64.039293
"1190623"	68.6717846666667	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+3Na"	68.967654
"1656140"	206.042388	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na+HCOOH"	68.994688
"163001"	351.01444	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2K-H"	76.91904
"601467"	488.06214	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2K-H"	76.91904
"1090356"	213.96674	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2K-H"	76.91904
"151547"	176.010858	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"2M+2K"	77.926316
"584908"	244.534708	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"3M+2K"	77.926316
"1076711"	107.487008	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2K"	77.926316
"1107737"	215.981292	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2K+H"	78.933592
"1339748"	216.068907	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+DMSO+H"	79.021207
"1013747"	220.108076	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2ACN+H"	83.060376
"1532969"	221.101708	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+IsoProp+Na+H"	84.054008
"996136"	110.557676	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+2ACN+2H"	84.067652
"1597201"	222.016328	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K+HCOOH"	84.968628
"1419578"	252.047838	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+H+CF3COOH"	115.000138
"1152054"	131.070951	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+3ACN+2H"	125.094202
"1703794"	269.074385	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+NH4+CF3COOH"	132.026685
"1638353"	274.02978	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+Na+CF3COOH"	136.98208
"1586035"	290.00372	"C00568"	"4-Aminobenzoate;ABEE;4-Aminobenzoic acid;p-Aminobenzoate"	"C7H7NO2"	"137.0477"	"M+K+CF3COOH"	152.95602
"815312"	446.0604	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M"	0
"983374"	427.04201	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-H2O-H"	-19.01839
"77936"	296.366324	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M-3H"	-3.021828
"517617"	445.053124	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M-3H"	-3.021828
"894446"	147.679524	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-3H"	-3.021828
"6462"	445.053124	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M-2H"	-2.014552
"443838"	668.083324	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M-2H"	-2.014552
"817994"	222.022924	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-2H"	-2.014552
"88191"	891.113524	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M-H"	-1.007276
"520463"	1337.173924	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M-H"	-1.007276
"896118"	445.053124	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-H"	-1.007276
"47285"	908.140071	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M-2H+NH4"	16.019271
"494021"	1354.200471	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M-2H+NH4"	16.019271
"864652"	462.079671	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-2H+NH4"	16.019271
"33164"	913.095466	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M-2H+Na"	20.974666
"476004"	1359.155866	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M-2H+Na"	20.974666
"851622"	467.035066	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-2H+Na"	20.974666
"1623342"	467.035066	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Na-2H"	20.974666
"98777"	463.041463	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M-H+Cl"	33.962126
"541619"	686.071663	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M-H+Cl"	33.962126
"941700"	240.011263	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-H+Cl"	33.962126
"281716"	927.090202	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+Cl"	34.969402
"675509"	1373.150602	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+Cl"	34.969402
"1285079"	481.029802	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Cl"	34.969402
"29460"	929.069406	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M-2H+K"	36.948606
"469384"	1375.129806	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M-2H+K"	36.948606
"847551"	483.009006	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-2H+K"	36.948606
"1567756"	483.009006	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+K-2H"	36.948606
"955275"	491.058594	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-H+HCOOH"	44.998194
"370212"	937.119001	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+HCOOH-H"	44.998201
"355186"	951.134651	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+Hac-H"	59.013851
"1498555"	505.074251	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Hac-H"	59.013851
"963909"	513.040551	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-H+NaCOOH"	66.980151
"118283"	481.029802	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+2Cl"	69.938804
"557112"	704.060002	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+2Cl"	69.938804
"1028830"	257.999602	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2Cl"	69.938804
"1251692"	524.979285	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Br"	78.918885
"1314141"	527.035272	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Cl+HCOOH"	80.974872
"1327260"	549.017229	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Cl+NaCOOH"	102.956829
"916130"	559.045986	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M-H+CF3COOH"	112.985586
"1295026"	595.022664	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Cl+CF3COOH"	148.962264
"1373187"	411.047724	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H-2H2O"	-35.012676
"1396888"	429.0577	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H-H2O"	-17.0027
"289284"	893.128076	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+H"	1.007276
"687176"	1339.188476	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+H"	1.007276
"1362431"	447.067676	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H"	1.007276
"136411"	447.067676	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+2H"	2.014552
"573784"	670.097876	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+2H"	2.014552
"1040761"	224.037476	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2H"	2.014552
"208295"	298.380876	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+3H"	3.021828
"644943"	447.067676	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+3H"	3.021828
"1163797"	149.694076	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+3H"	3.021828
"432540"	910.154623	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+NH4"	18.033823
"788066"	1356.215023	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+NH4"	18.033823
"1681476"	464.094223	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+NH4"	18.033823
"341427"	455.5809495	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+H+NH4"	19.041099
"737128"	678.6111495	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+H+NH4"	19.041099
"1491679"	232.5507495	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H+NH4"	19.041099
"401973"	915.110018	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+Na"	22.989218
"760781"	1361.170418	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+Na"	22.989218
"1605969"	469.049618	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Na"	22.989218
"316734"	458.058647	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+H+Na"	23.996494
"712436"	681.088847	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+H+Na"	23.996494
"1471723"	235.028447	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H+Na"	23.996494
"1066062"	157.02139	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2H+Na"	25.00377
"1264458"	479.093886	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+CH3OH+H"	33.033486
"381939"	931.083958	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+K"	38.963158
"741113"	1377.144358	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+K"	38.963158
"1541702"	485.023558	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+K"	38.963158
"300337"	466.045617	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+H+K"	39.970434
"696773"	689.075817	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+H+K"	39.970434
"1446579"	243.015417	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H+K"	39.970434
"239201"	934.154626	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+ACN+H"	42.033826
"1211303"	488.094226	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+ACN+H"	42.033826
"1200175"	244.550751	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+ACN+2H"	43.041102
"193044"	937.09196	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+2Na-H"	44.97116
"634795"	1383.15236	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+2Na-H"	44.97116
"1137206"	491.03156	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2Na-H"	44.97116
"179037"	469.049618	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+2Na"	45.978436
"621513"	692.079818	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+2Na"	45.978436
"1120281"	246.019418	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2Na"	45.978436
"1400524"	164.348704	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H+2Na"	46.985712
"1430209"	493.073146	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H+HCOOH"	47.012746
"220005"	474.08264	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+3H2O+2H"	56.04448
"1508531"	507.12519	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+IsoProp+H"	61.06479
"409718"	477.036588	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+Na+K"	61.952376
"770835"	700.066788	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+Na+K"	61.952376
"1668873"	254.006388	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Na+K"	61.952376
"258314"	956.136568	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+ACN+Na"	64.015768
"1232116"	510.076168	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+ACN+Na"	64.015768
"1723191"	510.099693	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+NH4+HCOOH"	64.039293
"1181981"	171.676018	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+3Na"	68.967654
"1656250"	515.055088	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Na+HCOOH"	68.994688
"164204"	969.03984	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+2K-H"	76.91904
"603763"	1415.10024	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+2K-H"	76.91904
"1090465"	522.97944	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2K-H"	76.91904
"147282"	485.023558	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"2M+2K"	77.926316
"586840"	708.053758	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"3M+2K"	77.926316
"1075727"	261.993358	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2K"	77.926316
"1107845"	524.993992	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2K+H"	78.933592
"1340954"	525.081607	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+DMSO+H"	79.021207
"1009482"	529.120776	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2ACN+H"	83.060376
"1533078"	530.114408	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+IsoProp+Na+H"	84.054008
"1000616"	265.064026	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+2ACN+2H"	84.067652
"1592935"	531.029028	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+K+HCOOH"	84.968628
"1421875"	561.060538	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+H+CF3COOH"	115.000138
"1149981"	285.577301	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+3ACN+2H"	125.094202
"1701719"	578.087085	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+NH4+CF3COOH"	132.026685
"1637372"	583.04248	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+Na+CF3COOH"	136.98208
"1586146"	599.01642	"C00570"	"CDP-ethanolamine;Cytidine diphosphate ethanolamine"	"C11H20N4O11P2"	"446.0604"	"M+K+CF3COOH"	152.95602
"814327"	99.1048	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M"	0
"976194"	80.08641	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-H2O-H"	-19.01839
"72819"	65.0625906666667	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M-3H"	-3.021828
"508008"	98.097524	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M-3H"	-3.021828
"890184"	32.0276573333333	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-3H"	-3.021828
"8759"	98.097524	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M-2H"	-2.014552
"446134"	147.649924	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M-2H"	-2.014552
"817287"	48.545124	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-2H"	-2.014552
"80650"	197.202324	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M-H"	-1.007276
"518624"	296.307124	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M-H"	-1.007276
"895643"	98.097524	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-H"	-1.007276
"47763"	214.228871	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M-2H+NH4"	16.019271
"488663"	313.333671	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M-2H+NH4"	16.019271
"864277"	115.124071	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-2H+NH4"	16.019271
"32543"	219.184266	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M-2H+Na"	20.974666
"473928"	318.289066	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M-2H+Na"	20.974666
"852823"	120.079466	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-2H+Na"	20.974666
"1622359"	120.079466	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Na-2H"	20.974666
"96700"	116.085863	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M-H+Cl"	33.962126
"541729"	165.638263	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M-H+Cl"	33.962126
"942301"	66.533463	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-H+Cl"	33.962126
"279638"	233.179002	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+Cl"	34.969402
"674372"	332.283802	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+Cl"	34.969402
"1287262"	134.074202	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Cl"	34.969402
"30551"	235.158206	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M-2H+K"	36.948606
"470595"	334.263006	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M-2H+K"	36.948606
"845839"	136.053406	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-2H+K"	36.948606
"1567870"	136.053406	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+K-2H"	36.948606
"953930"	144.102994	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-H+HCOOH"	44.998194
"372510"	243.207801	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+HCOOH-H"	44.998201
"353114"	257.223451	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+Hac-H"	59.013851
"1497934"	158.118651	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Hac-H"	59.013851
"963289"	166.084951	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-H+NaCOOH"	66.980151
"117300"	134.074202	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+2Cl"	69.938804
"560872"	183.626602	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+2Cl"	69.938804
"1032957"	84.521802	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2Cl"	69.938804
"1253992"	178.023685	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Br"	78.918885
"1315345"	180.079672	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Cl+HCOOH"	80.974872
"1335032"	202.061629	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Cl+NaCOOH"	102.956829
"920619"	212.090386	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M-H+CF3COOH"	112.985586
"1298421"	248.067064	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Cl+CF3COOH"	148.962264
"1376581"	64.092124	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H-2H2O"	-35.012676
"1394081"	82.1021	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H-H2O"	-17.0027
"291583"	199.216876	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+H"	1.007276
"686191"	298.321676	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+H"	1.007276
"1361446"	100.112076	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H"	1.007276
"136521"	100.112076	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+2H"	2.014552
"570614"	149.664476	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+2H"	2.014552
"1042693"	50.559676	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2H"	2.014552
"208409"	67.0771426666667	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+3H"	3.021828
"654532"	100.112076	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+3H"	3.021828
"1168280"	34.0422093333333	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+3H"	3.021828
"433743"	216.243423	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+NH4"	18.033823
"785992"	315.348223	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+NH4"	18.033823
"1687787"	117.138623	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+NH4"	18.033823
"330598"	108.6253495	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+H+NH4"	19.041099
"730676"	158.1777495	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+H+NH4"	19.041099
"1490698"	59.0729495	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H+NH4"	19.041099
"406459"	221.198818	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+Na"	22.989218
"757618"	320.303618	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+Na"	22.989218
"1604620"	122.094018	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Na"	22.989218
"317208"	111.103047	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+H+Na"	23.996494
"710360"	160.655447	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+H+Na"	23.996494
"1468554"	61.550647	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H+Na"	23.996494
"1058519"	41.3695233333333	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2H+Na"	25.00377
"1266756"	132.138286	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+CH3OH+H"	33.033486
"384238"	237.172758	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+K"	38.963158
"741952"	336.277558	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+K"	38.963158
"1541452"	138.067958	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+K"	38.963158
"302637"	119.090017	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+H+K"	39.970434
"693235"	168.642417	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+H+K"	39.970434
"1448152"	69.537617	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H+K"	39.970434
"240033"	240.243426	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+ACN+H"	42.033826
"1213114"	141.138626	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+ACN+H"	42.033826
"1201378"	71.072951	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+ACN+2H"	43.041102
"193518"	243.18076	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+2Na-H"	44.97116
"633811"	342.28556	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+2Na-H"	44.97116
"1139503"	144.07596	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2Na-H"	44.97116
"179512"	122.094018	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+2Na"	45.978436
"620167"	171.646418	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+2Na"	45.978436
"1117475"	72.541618	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2Na"	45.978436
"1400634"	48.6968373333333	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H+2Na"	46.985712
"1430196"	146.117546	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H+HCOOH"	47.012746
"220742"	127.12704	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+3H2O+2H"	56.04448
"1509414"	160.16959	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+IsoProp+H"	61.06479
"410558"	130.080988	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+Na+K"	61.952376
"771552"	179.633388	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+Na+K"	61.952376
"1667519"	80.528588	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Na+K"	61.952376
"255140"	262.225368	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+ACN+Na"	64.015768
"1229309"	163.120568	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+ACN+Na"	64.015768
"1720019"	163.144093	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+NH4+HCOOH"	64.039293
"1179902"	56.0241513333333	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+3Na"	68.967654
"1652349"	168.099488	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Na+HCOOH"	68.994688
"160669"	275.12864	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+2K-H"	76.91904
"602051"	374.23344	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+2K-H"	76.91904
"1090576"	176.02384	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2K-H"	76.91904
"148489"	138.067958	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"2M+2K"	77.926316
"588049"	187.620358	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"3M+2K"	77.926316
"1079855"	88.515558	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2K"	77.926316
"1104679"	178.038392	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2K+H"	78.933592
"1338874"	178.126007	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+DMSO+H"	79.021207
"1010687"	182.165176	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2ACN+H"	83.060376
"1531000"	183.158808	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+IsoProp+Na+H"	84.054008
"990399"	91.586226	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+2ACN+2H"	84.067652
"1589765"	184.073428	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+K+HCOOH"	84.968628
"1414816"	214.104938	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+H+CF3COOH"	115.000138
"1151182"	112.099501	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+3ACN+2H"	125.094202
"1701099"	231.131485	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+NH4+CF3COOH"	132.026685
"1638575"	236.08688	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+Na+CF3COOH"	136.98208
"1586256"	252.06082	"C00571"	"Cyclohexylamine;Cyclohexanamine"	"C6H13N"	"99.1048"	"M+K+CF3COOH"	152.95602
"815410"	329.0525	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M"	0
"987971"	310.03411	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-H2O-H"	-19.01839
"75121"	218.361057333333	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M-3H"	-3.021828
"512495"	328.045224	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M-3H"	-3.021828
"887015"	108.676890666667	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-3H"	-3.021828
"7776"	328.045224	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M-2H"	-2.014552
"440652"	492.571474	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M-2H"	-2.014552
"820766"	163.518974	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-2H"	-2.014552
"86225"	657.097724	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M-H"	-1.007276
"520317"	986.150224	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M-H"	-1.007276
"896048"	328.045224	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-H"	-1.007276
"48365"	674.124271	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+NH4"	16.019271
"487558"	1003.176771	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+NH4"	16.019271
"866579"	345.071771	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-2H+NH4"	16.019271
"33386"	679.079666	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+Na"	20.974666
"471808"	1008.132166	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+Na"	20.974666
"856217"	350.027166	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-2H+Na"	20.974666
"1628668"	350.027166	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Na-2H"	20.974666
"108967"	346.033563	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M-H+Cl"	33.962126
"549138"	510.559813	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M-H+Cl"	33.962126
"939734"	181.507313	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-H+Cl"	33.962126
"279383"	693.074402	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+Cl"	34.969402
"674602"	1022.126902	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+Cl"	34.969402
"1287248"	364.021902	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Cl"	34.969402
"29196"	695.053606	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+K"	36.948606
"469605"	1024.106106	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+K"	36.948606
"845949"	366.001106	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-2H+K"	36.948606
"1569073"	366.001106	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+K-2H"	36.948606
"951121"	374.050694	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-H+HCOOH"	44.998194
"368245"	703.103201	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+HCOOH-H"	44.998201
"351037"	717.118851	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+Hac-H"	59.013851
"1498409"	388.066351	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Hac-H"	59.013851
"963038"	396.032651	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-H+NaCOOH"	66.980151
"121789"	364.021902	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+2Cl"	69.938804
"559164"	528.548152	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+2Cl"	69.938804
"1031243"	199.495652	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2Cl"	69.938804
"1255805"	407.971385	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Br"	78.918885
"1318497"	410.027372	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+HCOOH"	80.974872
"1333561"	432.009329	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+NaCOOH"	102.956829
"927026"	442.038086	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M-H+CF3COOH"	112.985586
"1297440"	478.014764	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+CF3COOH"	148.962264
"1377789"	294.039824	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H-2H2O"	-35.012676
"1395286"	312.0498	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H-H2O"	-17.0027
"291694"	659.112276	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+H"	1.007276
"684116"	988.164776	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+H"	1.007276
"1357184"	330.059776	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H"	1.007276
"131168"	330.059776	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+2H"	2.014552
"570724"	494.586026	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+2H"	2.014552
"1038796"	165.533526	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2H"	2.014552
"207427"	220.375609333333	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+3H"	3.021828
"646986"	330.059776	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+3H"	3.021828
"1168393"	110.691442666667	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+3H"	3.021828
"432759"	676.138823	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+NH4"	18.033823
"791568"	1005.191323	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+NH4"	18.033823
"1683888"	347.086323	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+NH4"	18.033823
"331800"	338.5730495	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+H+NH4"	19.041099
"734071"	503.0992995	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+H+NH4"	19.041099
"1486799"	174.0467995	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H+NH4"	19.041099
"396365"	681.094218	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+Na"	22.989218
"756266"	1010.146718	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+Na"	22.989218
"1608375"	352.041718	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Na"	22.989218
"317318"	341.050747	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+H+Na"	23.996494
"710468"	505.576997	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+H+Na"	23.996494
"1465381"	176.524497	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H+Na"	23.996494
"1060815"	118.018756666667	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2H+Na"	25.00377
"1264682"	362.085986	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+CH3OH+H"	33.033486
"386538"	697.068158	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+K"	38.963158
"746440"	1026.120658	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+K"	38.963158
"1546304"	368.015658	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+K"	38.963158
"306761"	349.037717	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+H+K"	39.970434
"695901"	513.563967	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+H+K"	39.970434
"1446684"	184.511467	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H+K"	39.970434
"237356"	700.138826	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+ACN+H"	42.033826
"1214322"	371.086326	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+H"	42.033826
"1200395"	186.046801	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+2H"	43.041102
"195453"	703.07616	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+2Na-H"	44.97116
"635015"	1032.12866	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+2Na-H"	44.97116
"1137789"	374.02366	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2Na-H"	44.97116
"177434"	352.041718	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+2Na"	45.978436
"618087"	516.567968	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+2Na"	45.978436
"1119041"	187.515468	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2Na"	45.978436
"1400744"	125.346070666667	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H+2Na"	46.985712
"1430672"	376.065246	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H+HCOOH"	47.012746
"222551"	357.07474	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+3H2O+2H"	56.04448
"1512076"	390.11729	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+IsoProp+H"	61.06479
"411033"	360.028688	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+Na+K"	61.952376
"772762"	524.554938	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+Na+K"	61.952376
"1668364"	195.502438	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Na+K"	61.952376
"252698"	722.120768	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+ACN+Na"	64.015768
"1227594"	393.068268	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+Na"	64.015768
"1713686"	393.091793	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+NH4+HCOOH"	64.039293
"1184390"	132.673384666667	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+3Na"	68.967654
"1651002"	398.047188	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Na+HCOOH"	68.994688
"167706"	735.02404	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+2K-H"	76.91904
"605084"	1064.07654	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+2K-H"	76.91904
"1089597"	405.97154	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2K-H"	76.91904
"148602"	368.015658	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"2M+2K"	77.926316
"592539"	532.541908	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"3M+2K"	77.926316
"1070486"	203.489408	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2K"	77.926316
"1101748"	407.986092	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2K+H"	78.933592
"1336674"	408.073707	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+DMSO+H"	79.021207
"1015173"	412.112876	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2ACN+H"	83.060376
"1534757"	413.106508	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+IsoProp+Na+H"	84.054008
"995373"	206.560076	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+2ACN+2H"	84.067652
"1588786"	414.021128	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+K+HCOOH"	84.968628
"1421004"	444.052638	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+H+CF3COOH"	115.000138
"1150202"	227.073351	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+3ACN+2H"	125.094202
"1704127"	461.079185	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+NH4+CF3COOH"	132.026685
"1649627"	466.03458	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+Na+CF3COOH"	136.98208
"1586368"	482.00852	"C00575"	"35-Cyclic AMP;Cyclic adenylic acid;Cyclic AMP;Adenosine 35-phosphate;Adenosine 35-cyclic phosphate;cAMP"	"C10H12N5O6P"	"329.0525"	"M+K+CF3COOH"	152.95602
"813452"	102.0919	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M"	0
"980426"	83.07351	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-H2O-H"	-19.01839
"67577"	67.0539906666667	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M-3H"	-3.021828
"508231"	101.084624	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M-3H"	-3.021828
"888219"	33.0233573333333	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-3H"	-3.021828
"3513"	101.084624	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M-2H"	-2.014552
"443073"	152.130574	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M-2H"	-2.014552
"824156"	50.038674	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-2H"	-2.014552
"79652"	203.176524	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M-H"	-1.007276
"520548"	305.268424	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M-H"	-1.007276
"896890"	101.084624	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-H"	-1.007276
"48106"	220.203071	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M-2H+NH4"	16.019271
"487215"	322.294971	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M-2H+NH4"	16.019271
"867782"	118.111171	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-2H+NH4"	16.019271
"31789"	225.158466	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M-2H+Na"	20.974666
"472688"	327.250366	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M-2H+Na"	20.974666
"856327"	123.066566	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-2H+Na"	20.974666
"1628049"	123.066566	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Na-2H"	20.974666
"109484"	119.072963	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M-H+Cl"	33.962126
"549007"	170.118913	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M-H+Cl"	33.962126
"939844"	68.027013	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-H+Cl"	33.962126
"278401"	239.153202	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+Cl"	34.969402
"674475"	341.245102	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+Cl"	34.969402
"1287851"	137.061302	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Cl"	34.969402
"29672"	241.132406	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M-2H+K"	36.948606
"469351"	343.224306	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M-2H+K"	36.948606
"846060"	139.040506	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-2H+K"	36.948606
"1566633"	139.040506	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+K-2H"	36.948606
"952325"	147.090094	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-H+HCOOH"	44.998194
"369448"	249.182001	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+HCOOH-H"	44.998201
"350054"	263.197651	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+Hac-H"	59.013851
"1497790"	161.105751	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Hac-H"	59.013851
"966428"	169.072051	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-H+NaCOOH"	66.980151
"116430"	137.061302	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+2Cl"	69.938804
"555995"	188.107252	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+2Cl"	69.938804
"1030261"	86.015352	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2Cl"	69.938804
"1256769"	181.010785	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Br"	78.918885
"1319297"	183.066772	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Cl+HCOOH"	80.974872
"1333064"	205.048729	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Cl+NaCOOH"	102.956829
"927024"	215.077486	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M-H+CF3COOH"	112.985586
"1303508"	251.054164	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Cl+CF3COOH"	148.962264
"1380816"	67.079224	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H-2H2O"	-35.012676
"1392118"	85.0892	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H-H2O"	-17.0027
"291805"	205.191076	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+H"	1.007276
"684227"	307.282976	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+H"	1.007276
"1357296"	103.099176	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H"	1.007276
"134558"	103.099176	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+2H"	2.014552
"569742"	154.145126	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+2H"	2.014552
"1044011"	52.053226	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2H"	2.014552
"215193"	69.0685426666667	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+3H"	3.021828
"650378"	103.099176	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+3H"	3.021828
"1168505"	35.0379093333333	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+3H"	3.021828
"432869"	222.217623	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+NH4"	18.033823
"794958"	324.309523	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+NH4"	18.033823
"1688008"	120.125723	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+NH4"	18.033823
"333369"	111.6124495	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+H+NH4"	19.041099
"730897"	162.6583995	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+H+NH4"	19.041099
"1485814"	60.5664995	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H+NH4"	19.041099
"393924"	227.173018	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+Na"	22.989218
"757107"	329.264918	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+Na"	22.989218
"1605204"	125.081118	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Na"	22.989218
"316698"	114.090147	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+H+Na"	23.996494
"710578"	165.136097	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+H+Na"	23.996494
"1464397"	63.044197	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H+Na"	23.996494
"1058738"	42.3652233333333	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2H+Na"	25.00377
"1263698"	135.125386	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+CH3OH+H"	33.033486
"384462"	243.146958	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+K"	38.963158
"746550"	345.238858	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+K"	38.963158
"1547508"	141.055058	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+K"	38.963158
"306871"	122.077117	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+H+K"	39.970434
"693824"	173.123067	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+H+K"	39.970434
"1445943"	71.031167	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H+K"	39.970434
"237346"	246.217626	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+ACN+H"	42.033826
"1213702"	144.125726	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+ACN+H"	42.033826
"1203786"	72.566501	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+ACN+2H"	43.041102
"195926"	249.15496	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+2Na-H"	44.97116
"637311"	351.24686	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+2Na-H"	44.97116
"1138627"	147.06306	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2Na-H"	44.97116
"175356"	125.081118	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+2Na"	45.978436
"615645"	176.127068	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+2Na"	45.978436
"1119516"	74.035168	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2Na"	45.978436
"1403406"	49.6925373333333	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H+2Na"	46.985712
"1436253"	149.104646	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H+HCOOH"	47.012746
"224854"	130.11414	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+3H2O+2H"	56.04448
"1511458"	163.15669	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+IsoProp+H"	61.06479
"413697"	133.068088	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+Na+K"	61.952376
"779070"	184.114038	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+Na+K"	61.952376
"1672121"	82.022138	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Na+K"	61.952376
"253171"	268.199568	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+ACN+Na"	64.015768
"1227702"	166.107668	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+ACN+Na"	64.015768
"1714403"	166.131193	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+NH4+HCOOH"	64.039293
"1183407"	57.0198513333333	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+3Na"	68.967654
"1651112"	171.086588	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Na+HCOOH"	68.994688
"164536"	281.10284	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+2K-H"	76.91904
"605194"	383.19474	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+2K-H"	76.91904
"1089707"	179.01094	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2K-H"	76.91904
"149805"	141.055058	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"2M+2K"	77.926316
"592649"	192.101008	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"3M+2K"	77.926316
"1069866"	90.009108	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2K"	77.926316
"1102710"	181.025492	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2K+H"	78.933592
"1337030"	181.113107	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+DMSO+H"	79.021207
"1012002"	185.152276	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2ACN+H"	83.060376
"1530127"	186.145908	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+IsoProp+Na+H"	84.054008
"994390"	93.079776	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+2ACN+2H"	84.067652
"1589989"	187.060528	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+K+HCOOH"	84.968628
"1420021"	217.092038	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+H+CF3COOH"	115.000138
"1150312"	113.593051	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+3ACN+2H"	125.094202
"1704237"	234.118585	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+NH4+CF3COOH"	132.026685
"1648278"	239.07398	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+Na+CF3COOH"	136.98208
"1586478"	255.04792	"C00576"	"Betaine aldehyde"	"C5H12NO"	"102.0919"	"M+K+CF3COOH"	152.95602
"815022"	90.0317	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M"	0
"988922"	71.01331	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"78258"	59.0138573333333	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"517455"	89.024424	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"895257"	29.0032906666667	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"15649"	89.024424	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"453755"	134.040274	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"831195"	44.008574	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"86447"	179.056124	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"520175"	269.087824	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"900529"	89.024424	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"50527"	196.082671	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"488995"	286.114371	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"868984"	106.050971	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"33605"	201.038066	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"472436"	291.069766	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"856437"	111.006366	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1633916"	111.006366	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"107606"	107.012763	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"548626"	152.028613	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"942640"	61.996913	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"282241"	215.032802	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"675480"	305.064502	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1288285"	125.001102	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"30268"	217.012006	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"469464"	307.043706	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"847997"	126.980306	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1570029"	126.980306	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"952437"	135.029894	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"372843"	225.061601	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"353445"	239.077251	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1499729"	149.045551	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"973834"	157.011851	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"124805"	125.001102	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"559386"	170.016952	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1035840"	79.985252	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1256148"	168.950585	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1318960"	171.006572	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1335411"	192.988529	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"924598"	203.017286	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1301672"	238.993964	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1380199"	55.019024	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1395508"	73.029	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"297264"	181.070676	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"689684"	271.102376	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1363967"	91.038976	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"133575"	91.038976	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"574229"	136.054826	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1039747"	46.023126	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"204313"	61.0284093333333	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"644530"	91.038976	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1168613"	31.0178426666667	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"429698"	198.097223	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"791788"	288.128923	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1685202"	108.065523	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"330684"	99.5522495	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"728091"	144.5680995	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1487020"	54.5363995	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"396954"	203.052618	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"762325"	293.084318	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1606409"	113.020918	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"316808"	102.029947	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"708864"	147.045797	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1463781"	57.014097	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1058121"	38.3451566666667	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1262717"	123.065186	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"386759"	219.026558	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"747754"	309.058258	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1546525"	128.994858	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"303701"	110.016917	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"692841"	155.032767	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1448852"	65.001067	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"235915"	222.097226	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1210897"	132.065526	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1203896"	66.536401	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"197129"	225.03456	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"633045"	315.06626	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1135091"	135.00286	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"174979"	113.020918	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"620129"	158.036768	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1116950"	68.005068	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1400235"	45.6724706666667	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1430890"	137.044446	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"220585"	118.05394	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1516308"	151.09649	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"415996"	121.007888	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"772983"	166.023738	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1668221"	75.992038	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"253279"	244.079168	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1229275"	154.047468	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1714150"	154.070993	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1184245"	52.9997846666667	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1650249"	159.026388	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"163552"	256.98244	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"607857"	347.01414	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1089084"	166.95074	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"153559"	128.994858	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"593485"	174.010708	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1076174"	83.979008	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1106101"	168.965292	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1341394"	169.052907	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1011019"	173.092076	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1530238"	174.085708	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"996687"	87.049676	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1590096"	175.000328	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1419036"	205.031838	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1151515"	107.562951	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1705440"	222.058385	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1648752"	227.01378	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1586588"	242.98772	"C00577"	"D-Glyceraldehyde"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"810392"	207.0752	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M"	0
"980647"	188.05681	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-H2O-H"	-19.01839
"71077"	137.042857333333	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M-3H"	-3.021828
"517565"	206.067924	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M-3H"	-3.021828
"895208"	68.0177906666667	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-3H"	-3.021828
"8107"	206.067924	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M-2H"	-2.014552
"452042"	309.605524	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M-2H"	-2.014552
"829844"	102.530324	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-2H"	-2.014552
"84370"	413.143124	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M-H"	-1.007276
"521014"	620.218324	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M-H"	-1.007276
"899180"	206.067924	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-H"	-1.007276
"51730"	430.169671	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M-2H+NH4"	16.019271
"489104"	637.244871	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M-2H+NH4"	16.019271
"866907"	223.094471	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-2H+NH4"	16.019271
"32620"	435.125066	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M-2H+Na"	20.974666
"472421"	642.200266	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M-2H+Na"	20.974666
"849254"	228.049866	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-2H+Na"	20.974666
"1633986"	228.049866	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Na-2H"	20.974666
"107716"	224.056263	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M-H+Cl"	33.962126
"549101"	327.593863	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M-H+Cl"	33.962126
"942379"	120.518663	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-H+Cl"	33.962126
"282150"	449.119802	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+Cl"	34.969402
"675464"	656.195002	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+Cl"	34.969402
"1288303"	242.044602	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Cl"	34.969402
"30257"	451.099006	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M-2H+K"	36.948606
"470546"	658.174206	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M-2H+K"	36.948606
"846284"	244.023806	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-2H+K"	36.948606
"1570503"	244.023806	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+K-2H"	36.948606
"952547"	252.073394	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-H+HCOOH"	44.998194
"373316"	459.148601	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+HCOOH-H"	44.998201
"354648"	473.164251	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+Hac-H"	59.013851
"1500202"	266.089051	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Hac-H"	59.013851
"968839"	274.055351	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-H+NaCOOH"	66.980151
"122484"	242.044602	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+2Cl"	69.938804
"557308"	345.582202	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+2Cl"	69.938804
"1036435"	138.507002	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2Cl"	69.938804
"1256872"	285.994085	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Br"	78.918885
"1318340"	288.050072	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Cl+HCOOH"	80.974872
"1335320"	310.032029	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Cl+NaCOOH"	102.956829
"924708"	320.060786	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M-H+CF3COOH"	112.985586
"1300689"	356.037464	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Cl+CF3COOH"	148.962264
"1380309"	172.062524	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H-2H2O"	-35.012676
"1396956"	190.0725	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H-H2O"	-17.0027
"297982"	415.157676	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+H"	1.007276
"688821"	622.232876	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+H"	1.007276
"1365171"	208.082476	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H"	1.007276
"133685"	208.082476	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+2H"	2.014552
"575432"	311.620076	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+2H"	2.014552
"1040950"	104.544876	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2H"	2.014552
"204959"	139.057409333333	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+3H"	3.021828
"644764"	208.082476	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+3H"	3.021828
"1165443"	70.0323426666667	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+3H"	3.021828
"429808"	432.184223	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+NH4"	18.033823
"794085"	639.259423	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+NH4"	18.033823
"1688229"	225.109023	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+NH4"	18.033823
"332132"	216.5957495	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+H+NH4"	19.041099
"727837"	320.1333495	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+H+NH4"	19.041099
"1483483"	113.0581495	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H+NH4"	19.041099
"397427"	437.139618	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+Na"	22.989218
"761342"	644.214818	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+Na"	22.989218
"1606159"	230.064418	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Na"	22.989218
"315220"	219.073447	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+H+Na"	23.996494
"709707"	322.611047	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+H+Na"	23.996494
"1463162"	115.535847	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H+Na"	23.996494
"1056044"	77.3596566666667	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2H+Na"	25.00377
"1260639"	240.108686	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+CH3OH+H"	33.033486
"378850"	453.113558	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+K"	38.963158
"742397"	660.188758	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+K"	38.963158
"1546635"	246.038358	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+K"	38.963158
"301624"	227.060417	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+H+K"	39.970434
"693315"	330.598017	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+H+K"	39.970434
"1447869"	123.522817	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H+K"	39.970434
"236594"	456.184226	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+ACN+H"	42.033826
"1210111"	249.109026	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+ACN+H"	42.033826
"1200726"	125.058151	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+ACN+2H"	43.041102
"197969"	459.12156	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+2Na-H"	44.97116
"636799"	666.19676	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+2Na-H"	44.97116
"1132769"	252.04636	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2Na-H"	44.97116
"174238"	230.064418	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+2Na"	45.978436
"616959"	333.602018	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+2Na"	45.978436
"1116695"	126.526818	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2Na"	45.978436
"1399248"	84.6869706666667	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H+2Na"	46.985712
"1430516"	254.087946	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H+HCOOH"	47.012746
"220940"	235.09744	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+3H2O+2H"	56.04448
"1515325"	268.13999	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+IsoProp+H"	61.06479
"416106"	238.051388	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+Na+K"	61.952376
"776010"	341.588988	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+Na+K"	61.952376
"1666871"	134.513788	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Na+K"	61.952376
"253395"	478.166168	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+ACN+Na"	64.015768
"1231937"	271.090968	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+ACN+Na"	64.015768
"1714139"	271.114493	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+NH4+HCOOH"	64.039293
"1179858"	92.0142846666667	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+3Na"	68.967654
"1650722"	276.069888	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Na+HCOOH"	68.994688
"157829"	491.06944	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+2K-H"	76.91904
"605414"	698.14464	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+2K-H"	76.91904
"1086644"	283.99424	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2K-H"	76.91904
"151117"	246.038358	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"2M+2K"	77.926316
"585210"	349.575958	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"3M+2K"	77.926316
"1076284"	142.500758	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2K"	77.926316
"1101837"	286.008792	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2K+H"	78.933592
"1340408"	286.096407	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+DMSO+H"	79.021207
"1008943"	290.135576	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2ACN+H"	83.060376
"1528162"	291.129208	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+IsoProp+Na+H"	84.054008
"994611"	145.571426	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+2ACN+2H"	84.067652
"1588384"	292.043828	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+K+HCOOH"	84.968628
"1417323"	322.075338	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+H+CF3COOH"	115.000138
"1150532"	166.084701	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+3ACN+2H"	125.094202
"1703364"	339.101885	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+NH4+CF3COOH"	132.026685
"1648498"	344.05728	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+Na+CF3COOH"	136.98208
"1586698"	360.03122	"C00579"	"Dihydrolipoamide;Dihydrothioctamide"	"C8H17NOS2"	"207.0752"	"M+K+CF3COOH"	152.95602
"810502"	62.019	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M"	0
"980757"	43.00061	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-H2O-H"	-19.01839
"70094"	40.338724	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M-3H"	-3.021828
"517798"	61.011724	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M-3H"	-3.021828
"894992"	19.665724	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-3H"	-3.021828
"4937"	61.011724	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M-2H"	-2.014552
"452152"	92.021224	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M-2H"	-2.014552
"828497"	30.002224	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-2H"	-2.014552
"82292"	123.030724	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M-H"	-1.007276
"520395"	185.049724	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M-H"	-1.007276
"900019"	61.011724	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-H"	-1.007276
"49652"	140.057271	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M-2H+NH4"	16.019271
"488849"	202.076271	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M-2H+NH4"	16.019271
"866288"	78.038271	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-2H+NH4"	16.019271
"33094"	145.012666	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M-2H+Na"	20.974666
"473382"	207.031666	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M-2H+Na"	20.974666
"850095"	82.993666	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-2H+Na"	20.974666
"1626192"	82.993666	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Na-2H"	20.974666
"107584"	79.000063	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M-H+Cl"	33.962126
"547997"	110.009563	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M-H+Cl"	33.962126
"942366"	47.990563	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-H+Cl"	33.962126
"281528"	159.007402	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+Cl"	34.969402
"674800"	221.026402	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+Cl"	34.969402
"1288288"	96.988402	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Cl"	34.969402
"28666"	160.986606	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M-2H+K"	36.948606
"470292"	223.005606	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M-2H+K"	36.948606
"845300"	98.967606	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-2H+K"	36.948606
"1569884"	98.967606	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+K-2H"	36.948606
"952656"	107.017194	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-H+HCOOH"	44.998194
"371967"	169.036201	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+HCOOH-H"	44.998201
"353664"	183.051851	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+Hac-H"	59.013851
"1495938"	121.032851	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Hac-H"	59.013851
"966762"	128.999151	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-H+NaCOOH"	66.980151
"117492"	96.988402	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+2Cl"	69.938804
"558511"	127.997902	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+2Cl"	69.938804
"1035574"	65.978902	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2Cl"	69.938804
"1257023"	140.937885	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Br"	78.918885
"1316992"	142.993872	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Cl+HCOOH"	80.974872
"1335508"	164.975829	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Cl+NaCOOH"	102.956829
"922631"	175.004586	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M-H+CF3COOH"	112.985586
"1300799"	210.981264	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Cl+CF3COOH"	148.962264
"1381756"	27.006324	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H-2H2O"	-35.012676
"1397552"	45.0163	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H-H2O"	-17.0027
"297849"	125.045276	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+H"	1.007276
"688931"	187.064276	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+H"	1.007276
"1364188"	63.026276	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H"	1.007276
"133795"	63.026276	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+2H"	2.014552
"574449"	94.035776	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+2H"	2.014552
"1041060"	32.016776	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2H"	2.014552
"205920"	42.353276	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+3H"	3.021828
"645358"	63.026276	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+3H"	3.021828
"1163967"	21.680276	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+3H"	3.021828
"425055"	142.071823	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+NH4"	18.033823
"793100"	204.090823	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+NH4"	18.033823
"1683963"	80.052823	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+NH4"	18.033823
"331513"	71.5395495	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+H+NH4"	19.041099
"725757"	102.5490495	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+H+NH4"	19.041099
"1484322"	40.5300495	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H+NH4"	19.041099
"397538"	147.027218	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+Na"	22.989218
"760359"	209.046218	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+Na"	22.989218
"1605900"	85.008218	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Na"	22.989218
"315938"	74.017247	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+H+Na"	23.996494
"709453"	105.026747	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+H+Na"	23.996494
"1464002"	43.007747	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H+Na"	23.996494
"1058341"	29.00759	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2H+Na"	25.00377
"1261114"	95.052486	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+CH3OH+H"	33.033486
"378959"	163.001158	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+K"	38.963158
"742506"	225.020158	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+K"	38.963158
"1546745"	100.982158	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+K"	38.963158
"302098"	82.004217	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+H+K"	39.970434
"694153"	113.013717	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+H+K"	39.970434
"1446514"	50.994717	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H+K"	39.970434
"235967"	166.071826	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+ACN+H"	42.033826
"1215126"	104.052826	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+ACN+H"	42.033826
"1199010"	52.530051	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+ACN+2H"	43.041102
"191151"	169.00916	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+2Na-H"	44.97116
"632900"	231.02816	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+2Na-H"	44.97116
"1132030"	106.99016	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2Na-H"	44.97116
"175686"	85.008218	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+2Na"	45.978436
"617433"	116.017718	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+2Na"	45.978436
"1115625"	53.998718	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2Na"	45.978436
"1399359"	36.334904	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H+2Na"	46.985712
"1431477"	109.031746	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H+HCOOH"	47.012746
"221537"	90.04124	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+3H2O+2H"	56.04448
"1512882"	123.08379	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+IsoProp+H"	61.06479
"416216"	92.995188	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+Na+K"	61.952376
"776120"	124.004688	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+Na+K"	61.952376
"1666253"	61.985688	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Na+K"	61.952376
"254598"	188.053768	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+ACN+Na"	64.015768
"1233140"	126.034768	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+ACN+Na"	64.015768
"1714371"	126.058293	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+NH4+HCOOH"	64.039293
"1179238"	43.662218	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+3Na"	68.967654
"1650467"	131.013688	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Na+HCOOH"	68.994688
"157283"	200.95704	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+2K-H"	76.91904
"605160"	262.97604	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+2K-H"	76.91904
"1086389"	138.93804	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2K-H"	76.91904
"151227"	100.982158	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"2M+2K"	77.926316
"585320"	131.991658	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"3M+2K"	77.926316
"1076394"	69.972658	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2K"	77.926316
"1102311"	140.952592	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2K+H"	78.933592
"1338696"	141.040207	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+DMSO+H"	79.021207
"1009053"	145.079376	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2ACN+H"	83.060376
"1528272"	146.073008	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+IsoProp+Na+H"	84.054008
"994721"	73.043326	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+2ACN+2H"	84.067652
"1588858"	146.987628	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+K+HCOOH"	84.968628
"1416704"	177.019138	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+H+CF3COOH"	115.000138
"1151735"	93.556601	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+3ACN+2H"	125.094202
"1704567"	194.045685	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+NH4+CF3COOH"	132.026685
"1648973"	199.00108	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+Na+CF3COOH"	136.98208
"1586808"	214.97502	"C00580"	"Dimethyl sulfide;Methyl sulfide;Methyl thioether"	"C2H6S"	"62.019"	"M+K+CF3COOH"	152.95602
"810612"	117.0538	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M"	0
"980867"	98.03541	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-H2O-H"	-19.01839
"73485"	77.0285906666667	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M-3H"	-3.021828
"517421"	116.046524	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M-3H"	-3.021828
"895468"	38.0106573333333	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-3H"	-3.021828
"12701"	116.046524	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M-2H"	-2.014552
"450077"	174.573424	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M-2H"	-2.014552
"830064"	57.519624	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-2H"	-2.014552
"84590"	233.100324	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M-H"	-1.007276
"523057"	350.154124	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M-H"	-1.007276
"905232"	116.046524	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-H"	-1.007276
"49036"	250.126871	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M-2H+NH4"	16.019271
"487988"	367.180671	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M-2H+NH4"	16.019271
"865790"	133.073071	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-2H+NH4"	16.019271
"33205"	255.082266	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M-2H+Na"	20.974666
"471916"	372.136066	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M-2H+Na"	20.974666
"849150"	138.028466	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-2H+Na"	20.974666
"1630677"	138.028466	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Na-2H"	20.974666
"108918"	134.034863	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M-H+Cl"	33.962126
"548356"	192.561763	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M-H+Cl"	33.962126
"942115"	75.507963	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-H+Cl"	33.962126
"280909"	269.077002	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+Cl"	34.969402
"674305"	386.130802	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+Cl"	34.969402
"1287682"	152.023202	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Cl"	34.969402
"30606"	271.056206	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M-2H+K"	36.948606
"470526"	388.110006	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M-2H+K"	36.948606
"845775"	154.002406	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-2H+K"	36.948606
"1569992"	154.002406	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+K-2H"	36.948606
"946210"	162.051994	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-H+HCOOH"	44.998194
"366613"	279.105801	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+HCOOH-H"	44.998201
"354873"	293.121451	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+Hac-H"	59.013851
"1501517"	176.067651	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Hac-H"	59.013851
"966873"	184.033951	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-H+NaCOOH"	66.980151
"125016"	152.023202	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+2Cl"	69.938804
"554613"	210.550102	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+2Cl"	69.938804
"1033983"	93.496302	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2Cl"	69.938804
"1256362"	195.972685	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Br"	78.918885
"1319291"	198.028672	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Cl+HCOOH"	80.974872
"1334237"	220.010629	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Cl+NaCOOH"	102.956829
"923469"	230.039386	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M-H+CF3COOH"	112.985586
"1302371"	266.016064	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Cl+CF3COOH"	148.962264
"1379440"	82.041124	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H-2H2O"	-35.012676
"1395842"	100.0511	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H-H2O"	-17.0027
"297714"	235.114876	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+H"	1.007276
"689043"	352.168676	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+H"	1.007276
"1363205"	118.061076	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H"	1.007276
"140835"	118.061076	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+2H"	2.014552
"575653"	176.587976	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+2H"	2.014552
"1043358"	59.534176	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2H"	2.014552
"214539"	79.0431426666667	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+3H"	3.021828
"650819"	118.061076	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+3H"	3.021828
"1173318"	40.0252093333333	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+3H"	3.021828
"438779"	252.141423	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+NH4"	18.033823
"796494"	369.195223	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+NH4"	18.033823
"1691728"	135.087623	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+NH4"	18.033823
"337822"	126.5743495	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+H+NH4"	19.041099
"728057"	185.1012495	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+H+NH4"	19.041099
"1492291"	68.0474495	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H+NH4"	19.041099
"395461"	257.096818	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+Na"	22.989218
"761560"	374.150618	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+Na"	22.989218
"1607471"	140.043018	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Na"	22.989218
"317509"	129.052047	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+H+Na"	23.996494
"711022"	187.578947	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+H+Na"	23.996494
"1472496"	70.525147	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H+Na"	23.996494
"1058089"	47.3525233333333	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2H+Na"	25.00377
"1261954"	150.087286	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+CH3OH+H"	33.033486
"382714"	273.070758	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+K"	38.963158
"742616"	390.124558	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+K"	38.963158
"1544669"	156.016958	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+K"	38.963158
"302938"	137.039017	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+H+K"	39.970434
"694266"	195.565917	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+H+K"	39.970434
"1451371"	78.512117	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H+K"	39.970434
"239977"	276.141426	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+ACN+H"	42.033826
"1218153"	159.087626	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+ACN+H"	42.033826
"1194619"	80.047451	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+ACN+2H"	43.041102
"196002"	279.07876	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+2Na-H"	44.97116
"630822"	396.13256	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+2Na-H"	44.97116
"1132869"	162.02496	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2Na-H"	44.97116
"175796"	140.043018	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+2Na"	45.978436
"616450"	198.569918	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+2Na"	45.978436
"1117162"	81.516118	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2Na"	45.978436
"1399592"	54.6798373333333	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H+2Na"	46.985712
"1433777"	164.066546	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H+HCOOH"	47.012746
"223836"	145.07604	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+3H2O+2H"	56.04448
"1512263"	178.11859	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+IsoProp+H"	61.06479
"414138"	148.029988	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+Na+K"	61.952376
"776229"	206.556888	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+Na+K"	61.952376
"1668551"	89.503088	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Na+K"	61.952376
"256894"	298.123368	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+ACN+Na"	64.015768
"1227782"	181.069568	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+ACN+Na"	64.015768
"1714846"	181.093093	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+NH4+HCOOH"	64.039293
"1178862"	62.0071513333333	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+3Na"	68.967654
"1653010"	186.048488	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Na+HCOOH"	68.994688
"161330"	311.02664	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+2K-H"	76.91904
"600526"	428.08044	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+2K-H"	76.91904
"1087958"	193.97284	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2K-H"	76.91904
"144776"	156.016958	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"2M+2K"	77.926316
"591627"	214.543858	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"3M+2K"	77.926316
"1076505"	97.490058	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2K"	77.926316
"1107528"	195.987392	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2K+H"	78.933592
"1339538"	196.075007	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+DMSO+H"	79.021207
"1006976"	200.114176	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2ACN+H"	83.060376
"1530567"	201.107808	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+IsoProp+Na+H"	84.054008
"993737"	100.560726	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+2ACN+2H"	84.067652
"1589335"	202.022428	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+K+HCOOH"	84.968628
"1417180"	232.053938	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+H+CF3COOH"	115.000138
"1150751"	121.074001	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+3ACN+2H"	125.094202
"1704677"	249.080485	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+NH4+CF3COOH"	132.026685
"1649448"	254.03588	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+Na+CF3COOH"	136.98208
"1586918"	270.00982	"C00581"	"Guanidinoacetate;Guanidinoacetic acid;Glycocyamine;N-Amidinoglycine;Guanidoacetic acid"	"C3H7N3O2"	"117.0538"	"M+K+CF3COOH"	152.95602
"810722"	885.1571	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M"	0
"983161"	866.13871	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-H2O-H"	-19.01839
"75776"	589.097457333333	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M-3H"	-3.021828
"514248"	884.149824	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M-3H"	-3.021828
"888769"	294.045090666667	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-3H"	-3.021828
"12447"	884.149824	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M-2H"	-2.014552
"450187"	1326.728374	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M-2H"	-2.014552
"829446"	441.571274	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-2H"	-2.014552
"84700"	1769.306924	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M-H"	-1.007276
"522074"	2654.464024	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M-H"	-1.007276
"908258"	884.149824	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-H"	-1.007276
"48293"	1786.333471	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M-2H+NH4"	16.019271
"489556"	2671.490571	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M-2H+NH4"	16.019271
"865900"	901.176371	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-2H+NH4"	16.019271
"34772"	1791.288866	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M-2H+Na"	20.974666
"472508"	2676.445966	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M-2H+Na"	20.974666
"850435"	906.131766	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-2H+Na"	20.974666
"1628600"	906.131766	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Na-2H"	20.974666
"108664"	902.138163	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M-H+Cl"	33.962126
"549071"	1344.716713	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M-H+Cl"	33.962126
"941368"	459.559613	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-H+Cl"	33.962126
"281391"	1805.283602	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+Cl"	34.969402
"674169"	2690.440702	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+Cl"	34.969402
"1286331"	920.126502	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Cl"	34.969402
"26334"	1807.262806	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M-2H+K"	36.948606
"464800"	2692.419906	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M-2H+K"	36.948606
"842602"	922.105706	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-2H+K"	36.948606
"1569371"	922.105706	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+K-2H"	36.948606
"950694"	930.155294	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-H+HCOOH"	44.998194
"363442"	1815.312401	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+HCOOH-H"	44.998201
"352796"	1829.328051	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+Hac-H"	59.013851
"1501627"	944.170951	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Hac-H"	59.013851
"968077"	952.137251	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-H+NaCOOH"	66.980151
"120264"	920.126502	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+2Cl"	69.938804
"554359"	1362.705052	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+2Cl"	69.938804
"1026439"	477.547952	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2Cl"	69.938804
"1254767"	964.075985	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Br"	78.918885
"1319037"	966.131972	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Cl+HCOOH"	80.974872
"1334954"	988.113929	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Cl+NaCOOH"	102.956829
"923579"	998.142686	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M-H+CF3COOH"	112.985586
"1299201"	1034.119364	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Cl+CF3COOH"	148.962264
"1376270"	850.144424	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H-2H2O"	-35.012676
"1395224"	868.1544	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H-H2O"	-17.0027
"296367"	1771.321476	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+H"	1.007276
"687697"	2656.478576	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+H"	1.007276
"1362222"	886.164376	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H"	1.007276
"139851"	886.164376	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+2H"	2.014552
"580137"	1328.742926	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+2H"	2.014552
"1043468"	443.585826	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2H"	2.014552
"212462"	591.112009333333	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+3H"	3.021828
"650929"	886.164376	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+3H"	3.021828
"1170148"	296.059642666667	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+3H"	3.021828
"434515"	1788.348023	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+NH4"	18.033823
"791136"	2673.505123	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+NH4"	18.033823
"1688558"	903.190923	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+NH4"	18.033823
"334652"	894.6776495	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+H+NH4"	19.041099
"728167"	1337.2561995	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+H+NH4"	19.041099
"1490738"	452.0990995	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H+NH4"	19.041099
"393868"	1793.303418	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+Na"	22.989218
"761670"	2678.460518	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+Na"	22.989218
"1607581"	908.146318	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Na"	22.989218
"317619"	897.155347	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+H+Na"	23.996494
"713321"	1339.733897	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+H+Na"	23.996494
"1473335"	454.576797	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H+Na"	23.996494
"1057105"	303.386956666667	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2H+Na"	25.00377
"1260605"	918.190586	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+CH3OH+H"	33.033486
"383918"	1809.277358	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+K"	38.963158
"743820"	2694.434458	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+K"	38.963158
"1544780"	924.120258	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+K"	38.963158
"306329"	905.142317	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+H+K"	39.970434
"696564"	1347.720867	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+H+K"	39.970434
"1453667"	462.563767	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H+K"	39.970434
"242274"	1812.348026	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+ACN+H"	42.033826
"1218263"	927.190926	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+ACN+H"	42.033826
"1195214"	464.099101	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+ACN+2H"	43.041102
"197205"	1815.28536	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+2Na-H"	44.97116
"632026"	2700.44246	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+2Na-H"	44.97116
"1135897"	930.12826	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2Na-H"	44.97116
"174934"	908.146318	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+2Na"	45.978436
"616924"	1350.724868	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+2Na"	45.978436
"1117272"	465.567768	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2Na"	45.978436
"1401403"	310.714270666667	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H+2Na"	46.985712
"1436803"	932.169846	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H+HCOOH"	47.012746
"226496"	913.17934	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+3H2O+2H"	56.04448
"1512373"	946.22189	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+IsoProp+H"	61.06479
"414248"	916.133288	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+Na+K"	61.952376
"776338"	1358.711838	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+Na+K"	61.952376
"1668661"	473.554738	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Na+K"	61.952376
"252018"	1834.329968	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+ACN+Na"	64.015768
"1230806"	949.172868	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+ACN+Na"	64.015768
"1717506"	949.196393	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+NH4+HCOOH"	64.039293
"1181769"	318.041584666667	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+3Na"	68.967654
"1651663"	954.151788	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Na+HCOOH"	68.994688
"166181"	1847.23324	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+2K-H"	76.91904
"603187"	2732.39034	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+2K-H"	76.91904
"1087335"	962.07614	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2K-H"	76.91904
"141720"	924.120258	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"2M+2K"	77.926316
"581603"	1366.698808	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"3M+2K"	77.926316
"1072237"	481.541708	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2K"	77.926316
"1109825"	964.090692	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2K+H"	78.933592
"1340741"	964.178307	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+DMSO+H"	79.021207
"1012552"	968.217476	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2ACN+H"	83.060376
"1526304"	969.211108	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+IsoProp+Na+H"	84.054008
"992753"	484.612376	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+2ACN+2H"	84.067652
"1587039"	970.125728	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+K+HCOOH"	84.968628
"1414979"	1000.157238	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+H+CF3COOH"	115.000138
"1147331"	505.125651	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+3ACN+2H"	125.094202
"1698222"	1017.183785	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+NH4+CF3COOH"	132.026685
"1634969"	1022.13918	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+Na+CF3COOH"	136.98208
"1574997"	1038.11312	"C00582"	"Phenylacetyl-CoA;Phenylacetyl coenzyme A"	"C29H42N7O17P3S"	"885.1571"	"M+K+CF3COOH"	152.95602
"810832"	76.0524	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M"	0
"983271"	57.03401	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-H2O-H"	-19.01839
"75886"	49.694324	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M-3H"	-3.021828
"514358"	75.045124	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M-3H"	-3.021828
"882682"	24.343524	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-3H"	-3.021828
"12557"	75.045124	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H"	-2.014552
"450297"	113.071324	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H"	-2.014552
"827733"	37.018924	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H"	-2.014552
"88090"	151.097524	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M-H"	-1.007276
"527650"	227.149924	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M-H"	-1.007276
"902173"	75.045124	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-H"	-1.007276
"48282"	168.124071	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+NH4"	16.019271
"489666"	244.176471	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+NH4"	16.019271
"867347"	92.071671	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+NH4"	16.019271
"34154"	173.079466	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+Na"	20.974666
"473349"	249.131866	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+Na"	20.974666
"849816"	97.027066	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+Na"	20.974666
"1628710"	97.027066	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na-2H"	20.974666
"109626"	93.033463	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M-H+Cl"	33.962126
"549711"	131.059663	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M-H+Cl"	33.962126
"941599"	55.007263	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+Cl"	33.962126
"282228"	187.074202	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Cl"	34.969402
"674279"	263.126602	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Cl"	34.969402
"1287169"	111.021802	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl"	34.969402
"26444"	189.053406	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+K"	36.948606
"466003"	265.105806	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+K"	36.948606
"843805"	113.001006	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+K"	36.948606
"1567294"	113.001006	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+K-2H"	36.948606
"950804"	121.050594	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+HCOOH"	44.998194
"363552"	197.103001	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+HCOOH-H"	44.998201
"349624"	211.118651	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Hac-H"	59.013851
"1499551"	135.066251	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Hac-H"	59.013851
"967092"	143.032551	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+NaCOOH"	66.980151
"116000"	111.021802	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Cl"	69.938804
"554468"	149.048002	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Cl"	69.938804
"1025819"	72.995602	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Cl"	69.938804
"1252688"	154.971285	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Br"	78.918885
"1315134"	157.027272	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+HCOOH"	80.974872
"1333725"	179.009229	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+NaCOOH"	102.956829
"921502"	189.037986	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+CF3COOH"	112.985586
"1301498"	225.014664	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+CF3COOH"	148.962264
"1378564"	41.039724	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H-2H2O"	-35.012676
"1393876"	59.0497	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H-H2O"	-17.0027
"294654"	153.112076	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H"	1.007276
"688170"	229.164476	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H"	1.007276
"1361239"	77.059676	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H"	1.007276
"137409"	77.059676	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2H"	2.014552
"578061"	115.085876	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2H"	2.014552
"1044671"	39.033476	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2H"	2.014552
"212572"	51.708876	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+3H"	3.021828
"649946"	77.059676	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+3H"	3.021828
"1170258"	26.358076	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+3H"	3.021828
"434625"	170.138623	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+NH4"	18.033823
"788330"	246.191023	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+NH4"	18.033823
"1688668"	94.086223	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4"	18.033823
"334758"	85.5729495	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+NH4"	19.041099
"724992"	123.5991495	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+NH4"	19.041099
"1482096"	47.5467495	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+NH4"	19.041099
"394344"	175.094018	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Na"	22.989218
"761780"	251.146418	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Na"	22.989218
"1607691"	99.041618	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na"	22.989218
"316636"	88.050647	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+Na"	23.996494
"711244"	126.076847	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+Na"	23.996494
"1474903"	50.024447	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+Na"	23.996494
"1058309"	33.68539	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2H+Na"	25.00377
"1259987"	109.085886	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+CH3OH+H"	33.033486
"381842"	191.067958	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+K"	38.963158
"742838"	267.120358	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+K"	38.963158
"1545983"	115.015558	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+K"	38.963158
"306439"	96.037617	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+K"	39.970434
"694488"	134.063817	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+K"	39.970434
"1448311"	58.011417	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+K"	39.970434
"243478"	194.138626	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+H"	42.033826
"1219466"	118.086226	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+H"	42.033826
"1194475"	59.546751	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+2H"	43.041102
"197315"	197.07596	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na-H"	44.97116
"632502"	273.12836	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na-H"	44.97116
"1134307"	121.02356	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Na-H"	44.97116
"176746"	99.041618	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na"	45.978436
"617034"	137.067818	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na"	45.978436
"1117503"	61.015418	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Na"	45.978436
"1400172"	41.012704	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+2Na"	46.985712
"1435819"	123.065146	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+HCOOH"	47.012746
"225513"	104.07464	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+3H2O+2H"	56.04448
"1512483"	137.11719	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+H"	61.06479
"410347"	107.028588	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Na+K"	61.952376
"779728"	145.054788	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Na+K"	61.952376
"1667314"	69.002388	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+K"	61.952376
"252861"	216.120568	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+Na"	64.015768
"1228730"	140.068168	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+Na"	64.015768
"1718709"	140.091693	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+HCOOH"	64.039293
"1181877"	48.340018	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+3Na"	68.967654
"1650921"	145.047088	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+HCOOH"	68.994688
"167020"	229.02384	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2K-H"	76.91904
"602934"	305.07624	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2K-H"	76.91904
"1090363"	152.97144	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K-H"	76.91904
"142191"	115.015558	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2K"	77.926316
"583458"	153.041758	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2K"	77.926316
"1074536"	76.989358	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K"	77.926316
"1110664"	154.985992	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K+H"	78.933592
"1340851"	155.073607	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+DMSO+H"	79.021207
"1015942"	159.112776	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+H"	83.060376
"1526415"	160.106408	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+Na+H"	84.054008
"991770"	80.060026	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+2H"	84.067652
"1587484"	161.021028	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+K+HCOOH"	84.968628
"1414846"	191.052538	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+CF3COOH"	115.000138
"1147562"	100.573301	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+3ACN+2H"	125.094202
"1697968"	208.079085	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+CF3COOH"	132.026685
"1634347"	213.03448	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+CF3COOH"	136.98208
"1575107"	229.00842	"C00583"	"Propane-12-diol;12-Propanediol;Propylene glycol"	"C3H8O2"	"76.0524"	"M+K+CF3COOH"	152.95602
"816409"	352.225	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M"	0
"986661"	333.20661	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"75996"	233.809390666667	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"514467"	351.217724	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"887895"	116.401057333333	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"8657"	351.217724	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"455268"	527.330224	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"830030"	175.105224	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"86013"	703.442724	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"530676"	1055.667724	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"901189"	351.217724	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"50460"	720.469271	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"490748"	1072.694271	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"867457"	368.244271	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"32440"	725.424666	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"473095"	1077.649666	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"852719"	373.199666	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1632952"	373.199666	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"109945"	369.206063	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"549658"	545.318563	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"942361"	193.093563	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"280265"	739.419402	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"674025"	1091.644402	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1288444"	387.194402	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"31289"	741.398606	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"468301"	1093.623606	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"845739"	389.173606	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1569470"	389.173606	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"947634"	397.223194	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"368036"	749.448201	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"348641"	763.463851	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1497473"	411.238851	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"966107"	419.205151	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"118296"	387.194402	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"557859"	563.306902	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1031031"	211.081902	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1254984"	431.143885	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1317432"	433.199872	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1335215"	455.181829	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"923799"	465.210586	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1302333"	501.187264	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1377578"	317.212324	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1397630"	335.2223	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"294764"	705.457276	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"690466"	1057.682276	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1365721"	353.232276	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H"	1.007276
"139705"	353.232276	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"578171"	529.344776	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1045875"	177.119776	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"211589"	235.823942666667	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"650056"	353.232276	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1170368"	118.415609333333	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"434735"	722.483823	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"789169"	1074.708823	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1688778"	370.258823	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"334868"	361.7455495	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"725466"	537.8580495	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1481842"	185.6330495	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"394572"	727.439218	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"761890"	1079.664218	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1607801"	375.214218	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"321120"	364.223247	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"709529"	540.335747	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1467357"	188.110747	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1057326"	125.742923333333	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1260460"	385.258486	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"380858"	743.413158	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"746228"	1095.638158	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1541719"	391.188158	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+K"	38.963158
"302175"	372.210217	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"696785"	548.322717	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1448421"	196.097717	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"241400"	746.483826	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1217390"	394.258826	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1196168"	197.633051	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"195238"	749.42116	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"634799"	1101.64616	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1133929"	397.19616	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"174787"	375.214218	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"617508"	551.326718	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1118097"	199.101718	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1399065"	133.070237333333	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1432282"	399.237746	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"225624"	380.24724	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1518790"	413.28979	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"414467"	383.201188	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"780568"	559.313688	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1670704"	207.088688	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"252242"	768.465768	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1228840"	416.240768	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1718819"	416.264293	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1181258"	140.397551333333	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1653705"	421.219688	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"166401"	781.36904	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"602680"	1133.59404	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1091566"	429.14404	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"146194"	391.188158	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"586848"	567.300658	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1073553"	215.075658	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1109681"	431.158592	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1344241"	431.246207	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1014959"	435.285376	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1526525"	436.279008	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"991880"	218.146326	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1587960"	437.193628	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1417509"	467.225138	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1147674"	238.659601	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1699537"	484.251685	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1634230"	489.20708	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1575217"	505.18102	"C00584"	"Prostaglandin E2;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprosta-513-dienoate;(5Z13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;Dinoprostone;PGE2"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"814333"	164.0685	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M"	0
"978024"	145.05011	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"73926"	108.371724	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"516404"	163.061224	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"885819"	53.682224	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"13143"	163.061224	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"453431"	245.095474	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"827588"	81.026974	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"81750"	327.129724	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"524590"	491.198224	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"900206"	163.061224	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"48260"	344.156271	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"488671"	508.224771	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"866474"	180.087771	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"33281"	349.111666	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"471872"	513.180166	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"859396"	185.043166	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1631118"	185.043166	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"109762"	181.049563	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"549034"	263.083813	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"939997"	99.015313	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"280374"	363.106402	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"670608"	527.174902	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1287389"	199.037902	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"28851"	365.085606	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"469870"	529.154106	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"845122"	201.017106	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1563139"	201.017106	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"949931"	209.066694	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"370333"	373.135201	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"354214"	387.150851	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1497582"	223.082351	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"960750"	231.048651	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"112939"	199.037902	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"555781"	281.072152	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1027860"	117.003652	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1253999"	242.987385	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1319000"	245.043372	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1334556"	267.025329	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"922820"	277.054086	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1300623"	313.030764	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1375504"	129.055824	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1393000"	147.0658	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"291595"	329.144276	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"676726"	493.212776	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1361457"	165.075776	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"134346"	165.075776	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"576093"	247.110026	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1049267"	83.041526	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"214981"	110.386276	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"652355"	165.075776	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1172669"	55.696776	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"430472"	346.170823	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"787093"	510.239323	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1683423"	182.102323	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"330971"	173.5890495	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"735061"	255.6232995	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1479038"	91.5547995	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"393711"	351.126218	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"754365"	515.194718	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1603535"	187.057718	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"320133"	176.066747	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"718022"	258.100997	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1468563"	94.032497	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1056703"	63.02409	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1261300"	197.101986	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"382061"	367.100158	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"745242"	531.168658	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1545109"	203.031658	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"300100"	184.053717	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"692887"	266.087967	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1446343"	102.019467	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"237132"	370.170826	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1210074"	206.102326	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1205758"	103.554801	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"195348"	373.10816	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"632723"	537.17666	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1133313"	209.03966	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"177331"	187.057718	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"613608"	269.091968	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1120397"	105.023468	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1401005"	70.351404	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1436038"	211.081246	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"225733"	192.09074	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1513796"	225.13329	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"413489"	195.044688	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"770475"	277.078938	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1666803"	113.010438	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"252354"	392.152768	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1227128"	228.084268	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1716015"	228.107793	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1179547"	77.678718	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1653451"	233.063188	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"163226"	405.05604	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"600237"	569.12454	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1085843"	240.98754	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"147398"	203.031658	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"583802"	285.065908	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1072567"	120.997408	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1105780"	243.002092	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1341071"	243.089707	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1006438"	247.128876	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1526026"	248.122508	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"990772"	124.068076	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1588679"	249.037128	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1415431"	279.068638	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1149365"	144.581351	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1697824"	296.095185	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1648426"	301.05058	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1577516"	317.02452	"C00586"	"2-Deoxy-D-glucose;2-Deoxy-D-arabino-hexose;D-arabino-2-Deoxyhexose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"814443"	138.0317	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M"	0
"979227"	119.01331	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-H2O-H"	-19.01839
"74036"	91.0138573333333	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M-3H"	-3.021828
"517241"	137.024424	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M-3H"	-3.021828
"892126"	45.0032906666667	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-3H"	-3.021828
"9973"	137.024424	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M-2H"	-2.014552
"455127"	206.040274	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M-2H"	-2.014552
"825150"	68.008574	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-2H"	-2.014552
"88422"	275.056124	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M-H"	-1.007276
"524700"	413.087824	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M-H"	-1.007276
"899950"	137.024424	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-H"	-1.007276
"52500"	292.082671	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M-2H+NH4"	16.019271
"494978"	430.114371	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M-2H+NH4"	16.019271
"872780"	154.050971	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-2H+NH4"	16.019271
"35576"	297.038066	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M-2H+Na"	20.974666
"476235"	435.069766	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M-2H+Na"	20.974666
"858413"	159.006366	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-2H+Na"	20.974666
"1623572"	159.006366	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Na-2H"	20.974666
"106300"	155.012763	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M-H+Cl"	33.962126
"547320"	224.028613	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M-H+Cl"	33.962126
"941564"	85.996913	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-H+Cl"	33.962126
"280486"	311.032802	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+Cl"	34.969402
"670718"	449.064502	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+Cl"	34.969402
"1287743"	173.001102	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Cl"	34.969402
"27868"	313.012006	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M-2H+K"	36.948606
"469250"	451.043706	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M-2H+K"	36.948606
"846325"	174.980306	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-2H+K"	36.948606
"1564342"	174.980306	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+K-2H"	36.948606
"953321"	183.029894	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-H+HCOOH"	44.998194
"368255"	321.061601	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+HCOOH-H"	44.998201
"349954"	335.077251	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+Hac-H"	59.013851
"1494775"	197.045551	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Hac-H"	59.013851
"959400"	205.011851	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-H+NaCOOH"	66.980151
"110862"	173.001102	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+2Cl"	69.938804
"550783"	242.016952	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+2Cl"	69.938804
"1023598"	103.985252	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2Cl"	69.938804
"1249737"	216.950585	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Br"	78.918885
"1311094"	219.006572	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Cl+HCOOH"	80.974872
"1334055"	240.988529	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Cl+NaCOOH"	102.956829
"922930"	251.017286	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M-H+CF3COOH"	112.985586
"1300733"	286.993964	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Cl+CF3COOH"	148.962264
"1375614"	103.019024	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H-2H2O"	-35.012676
"1395296"	121.029	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H-H2O"	-17.0027
"291706"	277.070676	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+H"	1.007276
"676836"	415.102376	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+H"	1.007276
"1355008"	139.038976	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H"	1.007276
"138832"	139.038976	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+2H"	2.014552
"578390"	208.054826	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+2H"	2.014552
"1051201"	70.023126	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2H"	2.014552
"213997"	93.0284093333333	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+3H"	3.021828
"654654"	139.038976	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+3H"	3.021828
"1173872"	47.0178426666667	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+3H"	3.021828
"431677"	294.097223	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+NH4"	18.033823
"790482"	432.128923	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+NH4"	18.033823
"1683533"	156.065523	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+NH4"	18.033823
"335821"	147.5522495	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+H+NH4"	19.041099
"731889"	216.5680995	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+H+NH4"	19.041099
"1481337"	78.5363995	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H+NH4"	19.041099
"397829"	299.052618	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+Na"	22.989218
"754819"	437.084318	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+Na"	22.989218
"1603646"	161.020918	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Na"	22.989218
"315869"	150.029947	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+H+Na"	23.996494
"717038"	219.045797	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+H+Na"	23.996494
"1466484"	81.014097	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H+Na"	23.996494
"1057543"	54.3451566666667	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2H+Na"	25.00377
"1264689"	171.065186	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+CH3OH+H"	33.033486
"388732"	315.026558	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+K"	38.963158
"744259"	453.058258	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+K"	38.963158
"1547406"	176.994858	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+K"	38.963158
"303489"	158.016917	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+H+K"	39.970434
"693725"	227.032767	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+H+K"	39.970434
"1450825"	89.001067	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H+K"	39.970434
"237607"	318.097226	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+ACN+H"	42.033826
"1212503"	180.065526	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+ACN+H"	42.033826
"1206597"	90.536401	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+ACN+2H"	43.041102
"193635"	321.03456	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+2Na-H"	44.97116
"631738"	459.06626	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+2Na-H"	44.97116
"1133786"	183.00286	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2Na-H"	44.97116
"177439"	161.020918	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+2Na"	45.978436
"614811"	230.036768	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+2Na"	45.978436
"1120507"	92.005068	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2Na"	45.978436
"1401114"	61.6724706666667	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H+2Na"	46.985712
"1438335"	185.044446	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H+HCOOH"	47.012746
"225843"	166.05394	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+3H2O+2H"	56.04448
"1516094"	199.09649	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+IsoProp+H"	61.06479
"415784"	169.007888	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+Na+K"	61.952376
"772406"	238.023738	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+Na+K"	61.952376
"1667277"	99.992038	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Na+K"	61.952376
"252701"	340.079168	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+ACN+Na"	64.015768
"1231248"	202.047468	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+ACN+Na"	64.015768
"1716851"	202.070993	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+NH4+HCOOH"	64.039293
"1181113"	68.9997846666667	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+3Na"	68.967654
"1653560"	207.026388	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Na+HCOOH"	68.994688
"159327"	352.98244	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+2K-H"	76.91904
"600711"	491.01414	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+2K-H"	76.91904
"1085704"	214.95074	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2K-H"	76.91904
"142162"	176.994858	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"2M+2K"	77.926316
"581842"	246.010708	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"3M+2K"	77.926316
"1069518"	107.979008	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2K"	77.926316
"1104797"	216.965292	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2K+H"	78.933592
"1339358"	217.052907	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+DMSO+H"	79.021207
"1006185"	221.092076	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2ACN+H"	83.060376
"1524794"	222.085708	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+IsoProp+Na+H"	84.054008
"990085"	111.049676	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+2ACN+2H"	84.067652
"1587451"	223.000328	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+K+HCOOH"	84.968628
"1418822"	253.031838	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+H+CF3COOH"	115.000138
"1147286"	131.562951	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+3ACN+2H"	125.094202
"1698298"	270.058385	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+NH4+CF3COOH"	132.026685
"1647443"	275.01378	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+Na+CF3COOH"	136.98208
"1577626"	290.98772	"C00587"	"3-Hydroxybenzoate;3-Hydroxybenzoic acid;m-Hydroxybenzoic acid"	"C7H6O3"	"138.0317"	"M+K+CF3COOH"	152.95602
"813460"	184.0739	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M"	0
"979337"	165.05551	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-H2O-H"	-19.01839
"74146"	121.708657333333	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M-3H"	-3.021828
"514799"	183.066624	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M-3H"	-3.021828
"892600"	60.3506906666667	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-3H"	-3.021828
"12271"	183.066624	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M-2H"	-2.014552
"448550"	275.103574	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M-2H"	-2.014552
"825260"	91.029674	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-2H"	-2.014552
"86344"	367.140524	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M-H"	-1.007276
"524810"	551.214424	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M-H"	-1.007276
"901518"	183.066624	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-H"	-1.007276
"54070"	384.167071	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M-2H+NH4"	16.019271
"494358"	568.240971	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M-2H+NH4"	16.019271
"873254"	200.093171	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-2H+NH4"	16.019271
"40061"	389.122466	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M-2H+Na"	20.974666
"478531"	573.196366	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M-2H+Na"	20.974666
"858521"	205.048566	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-2H+Na"	20.974666
"1626963"	205.048566	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Na-2H"	20.974666
"101306"	201.054963	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M-H+Cl"	33.962126
"546703"	293.091913	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M-H+Cl"	33.962126
"934383"	109.018013	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-H+Cl"	33.962126
"278407"	403.117202	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+Cl"	34.969402
"668641"	587.191102	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+Cl"	34.969402
"1285421"	219.043302	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Cl"	34.969402
"25789"	405.096406	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M-2H+K"	36.948606
"468266"	589.170306	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M-2H+K"	36.948606
"844976"	221.022506	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-2H+K"	36.948606
"1561172"	221.022506	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+K-2H"	36.948606
"946869"	229.072094	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-H+HCOOH"	44.998194
"363991"	413.146001	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+HCOOH-H"	44.998201
"347875"	427.161651	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+Hac-H"	59.013851
"1492871"	243.087751	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Hac-H"	59.013851
"959386"	251.054051	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-H+NaCOOH"	66.980151
"110360"	219.043302	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+2Cl"	69.938804
"550897"	311.080252	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+2Cl"	69.938804
"1021437"	127.006352	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2Cl"	69.938804
"1246567"	262.992785	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Br"	78.918885
"1311202"	265.048772	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Cl+HCOOH"	80.974872
"1331978"	287.030729	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Cl+NaCOOH"	102.956829
"921947"	297.059486	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M-H+CF3COOH"	112.985586
"1301209"	333.036164	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Cl+CF3COOH"	148.962264
"1376817"	149.061224	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H-2H2O"	-35.012676
"1395407"	167.0712	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H-H2O"	-17.0027
"292910"	369.155076	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+H"	1.007276
"679863"	553.228976	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+H"	1.007276
"1358399"	185.081176	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H"	1.007276
"135662"	185.081176	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+2H"	2.014552
"575222"	277.118126	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+2H"	2.014552
"1046212"	93.044226	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2H"	2.014552
"211925"	123.723209333333	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+3H"	3.021828
"654763"	185.081176	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+3H"	3.021828
"1172892"	62.3652426666667	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+3H"	3.021828
"436161"	386.181623	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+NH4"	18.033823
"790228"	570.255523	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+NH4"	18.033823
"1686197"	202.107723	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+NH4"	18.033823
"334474"	193.5944495	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+H+NH4"	19.041099
"731999"	285.6313995	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+H+NH4"	19.041099
"1485821"	101.5574995	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H+NH4"	19.041099
"395023"	391.137018	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+Na"	22.989218
"756746"	575.210918	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+Na"	22.989218
"1606302"	207.063118	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Na"	22.989218
"315614"	196.072147	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+H+Na"	23.996494
"710587"	288.109097	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+H+Na"	23.996494
"1464405"	104.035197	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H+Na"	23.996494
"1055467"	69.6925566666667	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2H+Na"	25.00377
"1260425"	217.107386	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+CH3OH+H"	33.033486
"382281"	407.110958	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+K"	38.963158
"739628"	591.184858	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+K"	38.963158
"1543142"	223.037058	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+K"	38.963158
"301413"	204.059117	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+H+K"	39.970434
"693105"	296.096067	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+H+K"	39.970434
"1449113"	112.022167	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H+K"	39.970434
"238447"	410.181626	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+ACN+H"	42.033826
"1212979"	226.107726	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+ACN+H"	42.033826
"1201606"	113.557501	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+ACN+2H"	43.041102
"197757"	413.11896	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+2Na-H"	44.97116
"632944"	597.19286	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+2Na-H"	44.97116
"1134628"	229.04506	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2Na-H"	44.97116
"175725"	207.063118	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+2Na"	45.978436
"616015"	299.100068	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+2Na"	45.978436
"1118793"	115.026168	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2Na"	45.978436
"1399195"	77.0198706666667	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H+2Na"	46.985712
"1436258"	231.086646	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H+HCOOH"	47.012746
"228141"	212.09614	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+3H2O+2H"	56.04448
"1515112"	245.13869	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+IsoProp+H"	61.06479
"418080"	215.050088	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+Na+K"	61.952376
"775795"	307.087038	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+Na+K"	61.952376
"1668478"	123.013138	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Na+K"	61.952376
"252812"	432.163568	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+ACN+Na"	64.015768
"1229171"	248.089668	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+ACN+Na"	64.015768
"1715866"	248.113193	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+NH4+HCOOH"	64.039293
"1180859"	84.3471846666667	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+3Na"	68.967654
"1653668"	253.068588	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Na+HCOOH"	68.994688
"160530"	445.06684	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+2K-H"	76.91904
"600821"	629.14074	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+2K-H"	76.91904
"1085697"	260.99294	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2K-H"	76.91904
"145431"	223.037058	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"2M+2K"	77.926316
"584995"	315.074008	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"3M+2K"	77.926316
"1072789"	131.000108	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2K"	77.926316
"1106000"	263.007492	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2K+H"	78.933592
"1339104"	263.095107	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+DMSO+H"	79.021207
"1007270"	267.134276	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2ACN+H"	83.060376
"1524464"	268.127908	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+IsoProp+Na+H"	84.054008
"991358"	134.070776	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+2ACN+2H"	84.067652
"1589019"	269.042528	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+K+HCOOH"	84.968628
"1417839"	299.074038	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+H+CF3COOH"	115.000138
"1147884"	154.584051	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+3ACN+2H"	125.094202
"1698773"	316.100585	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+NH4+CF3COOH"	132.026685
"1647553"	321.05598	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+Na+CF3COOH"	136.98208
"1577736"	337.02992	"C00588"	"Choline phosphate;Phosphorylcholine;Phosphocholine;O-Phosphocholine"	"C5H15NO4P"	"184.0739"	"M+K+CF3COOH"	152.95602
"811383"	180.0786	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M"	0
"981634"	161.06021	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-H2O-H"	-19.01839
"70972"	119.045124	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M-3H"	-3.021828
"514909"	179.071324	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M-3H"	-3.021828
"886149"	59.018924	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-3H"	-3.021828
"10194"	179.071324	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M-2H"	-2.014552
"447567"	269.110624	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M-2H"	-2.014552
"820996"	89.032024	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-2H"	-2.014552
"84267"	359.149924	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M-H"	-1.007276
"527107"	539.228524	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M-H"	-1.007276
"898349"	179.071324	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-H"	-1.007276
"49441"	376.176471	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M-2H+NH4"	16.019271
"489244"	556.255071	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M-2H+NH4"	16.019271
"868262"	196.097871	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-2H+NH4"	16.019271
"35067"	381.131866	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M-2H+Na"	20.974666
"477546"	561.210466	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M-2H+Na"	20.974666
"854256"	201.053266	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-2H+Na"	20.974666
"1623792"	201.053266	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Na-2H"	20.974666
"103602"	197.059663	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M-H+Cl"	33.962126
"545353"	287.098963	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M-H+Cl"	33.962126
"934493"	107.020363	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-H+Cl"	33.962126
"278517"	395.126602	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+Cl"	34.969402
"665471"	575.205202	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+Cl"	34.969402
"1288082"	215.048002	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Cl"	34.969402
"22619"	397.105806	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M-2H+K"	36.948606
"468740"	577.184406	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M-2H+K"	36.948606
"845452"	217.027206	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-2H+K"	36.948606
"1564562"	217.027206	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+K-2H"	36.948606
"949166"	225.076794	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-H+HCOOH"	44.998194
"366288"	405.155401	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+HCOOH-H"	44.998201
"347984"	419.171051	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+Hac-H"	59.013851
"1492969"	239.092451	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Hac-H"	59.013851
"961081"	247.058751	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-H+NaCOOH"	66.980151
"111567"	215.048002	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+2Cl"	69.938804
"551005"	305.087302	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+2Cl"	69.938804
"1021750"	125.008702	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2Cl"	69.938804
"1245583"	258.997485	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Br"	78.918885
"1311312"	261.053472	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Cl+HCOOH"	80.974872
"1327715"	283.035429	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Cl+NaCOOH"	102.956829
"918776"	293.064186	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M-H+CF3COOH"	112.985586
"1297673"	329.040864	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Cl+CF3COOH"	148.962264
"1376927"	145.065924	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H-2H2O"	-35.012676
"1386770"	163.0759	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H-H2O"	-17.0027
"288645"	361.164476	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+H"	1.007276
"678879"	541.243076	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+H"	1.007276
"1360697"	181.085876	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H"	1.007276
"134679"	181.085876	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+2H"	2.014552
"576425"	271.125176	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+2H"	2.014552
"1048142"	91.046576	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2H"	2.014552
"215314"	121.059676	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+3H"	3.021828
"655602"	181.085876	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+3H"	3.021828
"1173001"	61.033476	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+3H"	3.021828
"432992"	378.191023	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+NH4"	18.033823
"788515"	558.269623	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+NH4"	18.033823
"1685941"	198.112423	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+NH4"	18.033823
"334219"	189.5991495	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+H+NH4"	19.041099
"728099"	279.6384495	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+H+NH4"	19.041099
"1479367"	99.5598495	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H+NH4"	19.041099
"394406"	383.146418	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+Na"	22.989218
"756492"	563.225018	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+Na"	22.989218
"1606410"	203.067818	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Na"	22.989218
"317182"	192.076847	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+H+Na"	23.996494
"712883"	282.116147	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+H+Na"	23.996494
"1464518"	102.037547	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H+Na"	23.996494
"1054115"	68.36079	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2H+Na"	25.00377
"1263817"	213.112086	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+CH3OH+H"	33.033486
"380204"	399.120358	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+K"	38.963158
"740834"	579.198958	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+K"	38.963158
"1543253"	219.041758	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+K"	38.963158
"301888"	200.063817	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+H+K"	39.970434
"693215"	290.103117	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+H+K"	39.970434
"1449589"	110.024517	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H+K"	39.970434
"238557"	402.191026	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+ACN+H"	42.033826
"1214182"	222.112426	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+ACN+H"	42.033826
"1200623"	111.559851	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+ACN+2H"	43.041102
"196774"	405.12836	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+2Na-H"	44.97116
"632325"	585.20696	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+2Na-H"	44.97116
"1134369"	225.04976	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2Na-H"	44.97116
"175835"	203.067818	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+2Na"	45.978436
"614302"	293.107118	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+2Na"	45.978436
"1118536"	113.028518	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2Na"	45.978436
"1402060"	75.688104	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H+2Na"	46.985712
"1432359"	227.091346	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H+HCOOH"	47.012746
"223149"	208.10084	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+3H2O+2H"	56.04448
"1515585"	241.14339	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+IsoProp+H"	61.06479
"418190"	211.054788	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+Na+K"	61.952376
"775540"	301.094088	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+Na+K"	61.952376
"1666155"	121.015488	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Na+K"	61.952376
"251950"	424.172968	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+ACN+Na"	64.015768
"1229277"	244.094368	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+ACN+Na"	64.015768
"1713060"	244.117893	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+NH4+HCOOH"	64.039293
"1181696"	83.015418	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+3Na"	68.967654
"1652438"	249.073288	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Na+HCOOH"	68.994688
"162461"	437.07624	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+2K-H"	76.91904
"606397"	617.15484	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+2K-H"	76.91904
"1089086"	256.99764	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2K-H"	76.91904
"145539"	219.041758	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"2M+2K"	77.926316
"585105"	309.081058	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"3M+2K"	77.926316
"1073992"	129.002458	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2K"	77.926316
"1106110"	259.012192	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2K+H"	78.933592
"1337269"	259.099807	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+DMSO+H"	79.021207
"1006893"	263.138976	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2ACN+H"	83.060376
"1525019"	264.132608	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+IsoProp+Na+H"	84.054008
"990860"	132.073126	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+2ACN+2H"	84.067652
"1592287"	265.047228	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+K+HCOOH"	84.968628
"1417948"	295.078738	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+H+CF3COOH"	115.000138
"1152610"	152.586401	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+3ACN+2H"	125.094202
"1700340"	312.105285	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+NH4+CF3COOH"	132.026685
"1645477"	317.06068	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+Na+CF3COOH"	136.98208
"1577846"	333.03462	"C00590"	"Coniferyl alcohol;Coniferol;4-(3-Hydroxy-1-propenyl)-2-methoxyphenol;trans-Coniferyl alcohol"	"C10H12O3"	"180.0786"	"M+K+CF3COOH"	152.95602
"804933"	123.983	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M"	0
"986123"	104.96461	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-H2O-H"	-19.01839
"74366"	81.6480573333333	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M-3H"	-3.021828
"513927"	122.975724	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M-3H"	-3.021828
"889543"	40.3203906666667	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-3H"	-3.021828
"5931"	122.975724	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M-2H"	-2.014552
"454845"	184.967224	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M-2H"	-2.014552
"828757"	60.984224	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-2H"	-2.014552
"85470"	246.958724	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M-H"	-1.007276
"519926"	370.941724	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M-H"	-1.007276
"896755"	122.975724	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-H"	-1.007276
"49551"	263.985271	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M-2H+NH4"	16.019271
"489232"	387.968271	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M-2H+NH4"	16.019271
"869104"	140.002271	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-2H+NH4"	16.019271
"35912"	268.940666	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M-2H+Na"	20.974666
"483129"	392.923666	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M-2H+Na"	20.974666
"854369"	144.957666	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-2H+Na"	20.974666
"1621715"	144.957666	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Na-2H"	20.974666
"98245"	140.964063	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M-H+Cl"	33.962126
"542179"	202.955563	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M-H+Cl"	33.962126
"935695"	78.972563	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-H+Cl"	33.962126
"273159"	282.935402	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+Cl"	34.969402
"661207"	406.918402	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+Cl"	34.969402
"1273731"	158.952402	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Cl"	34.969402
"16896"	284.914606	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M-2H+K"	36.948606
"465572"	408.897606	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M-2H+K"	36.948606
"834991"	160.931606	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-2H+K"	36.948606
"1558115"	160.931606	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+K-2H"	36.948606
"948182"	168.981194	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-H+HCOOH"	44.998194
"366398"	292.964201	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+HCOOH-H"	44.998201
"346271"	306.979851	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+Hac-H"	59.013851
"1494741"	182.996851	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Hac-H"	59.013851
"961191"	190.963151	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-H+NaCOOH"	66.980151
"113381"	158.952402	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+2Cl"	69.938804
"554034"	220.943902	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+2Cl"	69.938804
"1023198"	96.960902	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2Cl"	69.938804
"1250065"	202.901885	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Br"	78.918885
"1313608"	204.957872	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Cl+HCOOH"	80.974872
"1328921"	226.939829	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Cl+NaCOOH"	102.956829
"919979"	236.968586	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M-H+CF3COOH"	112.985586
"1295595"	272.945264	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Cl+CF3COOH"	148.962264
"1370478"	88.970324	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H-2H2O"	-35.012676
"1385787"	106.9803	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H-H2O"	-17.0027
"286566"	248.973276	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+H"	1.007276
"680082"	372.956276	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+H"	1.007276
"1359712"	124.990276	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H"	1.007276
"131508"	124.990276	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+2H"	2.014552
"576536"	186.981776	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+2H"	2.014552
"1043513"	62.998776	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2H"	2.014552
"214330"	83.6626093333333	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+3H"	3.021828
"654984"	124.990276	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+3H"	3.021828
"1169830"	42.3349426666667	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+3H"	3.021828
"436381"	265.999823	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+NH4"	18.033823
"791179"	389.982823	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+NH4"	18.033823
"1689334"	142.016823	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+NH4"	18.033823
"341986"	133.5035495	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+H+NH4"	19.041099
"725292"	195.4950495	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+H+NH4"	19.041099
"1480576"	71.5120495	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H+NH4"	19.041099
"394877"	270.955218	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+Na"	22.989218
"758063"	394.938218	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+Na"	22.989218
"1605068"	146.972218	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Na"	22.989218
"322759"	135.981247	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+H+Na"	23.996494
"711902"	197.972747	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+H+Na"	23.996494
"1469003"	73.989747	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H+Na"	23.996494
"1057875"	49.6622566666667	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2H+Na"	25.00377
"1260646"	157.016486	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+CH3OH+H"	33.033486
"379220"	286.929158	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+K"	38.963158
"741310"	410.912158	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+K"	38.963158
"1540039"	162.946158	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+K"	38.963158
"301633"	143.968217	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+H+K"	39.970434
"691785"	205.959717	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+H+K"	39.970434
"1448239"	81.976717	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H+K"	39.970434
"244139"	289.999826	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+ACN+H"	42.033826
"1215756"	166.016826	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+ACN+H"	42.033826
"1202922"	83.512051	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+ACN+2H"	43.041102
"192512"	292.93716	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+2Na-H"	44.97116
"633165"	416.92016	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+2Na-H"	44.97116
"1135210"	168.95416	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2Na-H"	44.97116
"176675"	146.972218	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+2Na"	45.978436
"618059"	208.963718	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+2Na"	45.978436
"1119379"	84.980718	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2Na"	45.978436
"1402540"	56.9895706666667	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H+2Na"	46.985712
"1435387"	170.995746	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H+HCOOH"	47.012746
"221801"	152.00524	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+3H2O+2H"	56.04448
"1513148"	185.04779	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+IsoProp+H"	61.06479
"418302"	154.959188	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+Na+K"	61.952376
"774557"	216.950688	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+Na+K"	61.952376
"1666143"	92.967688	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Na+K"	61.952376
"255951"	311.981768	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+ACN+Na"	64.015768
"1229389"	187.998768	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+ACN+Na"	64.015768
"1713048"	188.022293	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+NH4+HCOOH"	64.039293
"1182171"	64.3168846666667	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+3Na"	68.967654
"1652792"	192.977688	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Na+HCOOH"	68.994688
"162571"	324.88504	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+2K-H"	76.91904
"602496"	448.86804	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+2K-H"	76.91904
"1089558"	200.90204	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2K-H"	76.91904
"143469"	162.946158	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"2M+2K"	77.926316
"589593"	224.937658	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"3M+2K"	77.926316
"1070946"	100.954658	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2K"	77.926316
"1106220"	202.916592	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2K+H"	78.933592
"1338233"	203.004207	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+DMSO+H"	79.021207
"1010043"	207.043376	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2ACN+H"	83.060376
"1524603"	208.037008	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+IsoProp+Na+H"	84.054008
"990485"	104.025326	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+2ACN+2H"	84.067652
"1587062"	208.951628	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+K+HCOOH"	84.968628
"1415872"	238.983138	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+H+CF3COOH"	115.000138
"1149441"	124.538601	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+3ACN+2H"	125.094202
"1705562"	256.009685	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+NH4+CF3COOH"	132.026685
"1642306"	260.96508	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+Na+CF3COOH"	136.98208
"1571760"	276.93902	"C00593"	"Sulfoacetaldehyde;2-Sulfoacetaldehyde"	"C2H4O4S"	"123.983"	"M+K+CF3COOH"	152.95602
"805043"	114.0317	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M"	0
"987326"	95.01331	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-H2O-H"	-19.01839
"71194"	75.0138573333333	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M-3H"	-3.021828
"516224"	113.024424	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M-3H"	-3.021828
"890746"	37.0032906666667	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-3H"	-3.021828
"9320"	113.024424	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M-2H"	-2.014552
"446694"	170.040274	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M-2H"	-2.014552
"822309"	56.008574	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-2H"	-2.014552
"88861"	227.056124	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M-H"	-1.007276
"521859"	341.087824	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M-H"	-1.007276
"899661"	113.024424	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-H"	-1.007276
"54036"	244.082671	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M-2H+NH4"	16.019271
"494691"	358.114371	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M-2H+NH4"	16.019271
"871399"	130.050971	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-2H+NH4"	16.019271
"40396"	249.038066	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M-2H+Na"	20.974666
"481052"	363.069766	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M-2H+Na"	20.974666
"856666"	135.006366	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-2H+Na"	20.974666
"1630210"	135.006366	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Na-2H"	20.974666
"102733"	131.012763	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M-H+Cl"	33.962126
"540107"	188.028613	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M-H+Cl"	33.962126
"934714"	73.996913	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-H+Cl"	33.962126
"277645"	263.032802	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+Cl"	34.969402
"661438"	377.064502	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+Cl"	34.969402
"1274811"	149.001102	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Cl"	34.969402
"19559"	265.012006	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M-2H+K"	36.948606
"464589"	379.043706	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M-2H+K"	36.948606
"838017"	150.980306	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-2H+K"	36.948606
"1559318"	150.980306	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+K-2H"	36.948606
"945015"	159.029894	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-H+HCOOH"	44.998194
"364322"	273.061601	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+HCOOH-H"	44.998201
"345973"	287.077251	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+Hac-H"	59.013851
"1493758"	173.045551	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Hac-H"	59.013851
"964584"	181.011851	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-H+NaCOOH"	66.980151
"114585"	149.001102	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+2Cl"	69.938804
"551593"	206.016952	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+2Cl"	69.938804
"1022943"	91.985252	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2Cl"	69.938804
"1242157"	192.950585	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Br"	78.918885
"1309344"	195.006572	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Cl+HCOOH"	80.974872
"1325753"	216.988529	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Cl+NaCOOH"	102.956829
"918996"	227.017286	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M-H+CF3COOH"	112.985586
"1295705"	262.993964	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Cl+CF3COOH"	148.962264
"1372774"	79.019024	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H-2H2O"	-35.012676
"1388083"	97.029	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H-H2O"	-17.0027
"284490"	229.070676	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+H"	1.007276
"681286"	343.102376	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+H"	1.007276
"1357637"	115.038976	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H"	1.007276
"134899"	115.038976	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+2H"	2.014552
"575553"	172.054826	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+2H"	2.014552
"1044353"	58.023126	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2H"	2.014552
"215534"	77.0284093333333	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+3H"	3.021828
"654001"	115.038976	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+3H"	3.021828
"1168847"	39.0178426666667	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+3H"	3.021828
"431025"	246.097223	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+NH4"	18.033823
"790560"	360.128923	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+NH4"	18.033823
"1689444"	132.065523	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+NH4"	18.033823
"339909"	123.5522495	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+H+NH4"	19.041099
"726865"	180.5680995	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+H+NH4"	19.041099
"1479591"	66.5363995	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H+NH4"	19.041099
"402646"	251.052618	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+Na"	22.989218
"758174"	365.084318	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+Na"	22.989218
"1607367"	137.020918	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Na"	22.989218
"321776"	126.029947	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+H+Na"	23.996494
"709826"	183.045797	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+H+Na"	23.996494
"1468020"	69.014097	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H+Na"	23.996494
"1055799"	46.3451566666667	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2H+Na"	25.00377
"1261852"	147.065186	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+CH3OH+H"	33.033486
"379331"	267.026558	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+K"	38.963158
"741422"	381.058258	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+K"	38.963158
"1543475"	152.994858	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+K"	38.963158
"299921"	134.016917	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+H+K"	39.970434
"694168"	191.032767	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+H+K"	39.970434
"1450173"	77.001067	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H+K"	39.970434
"240968"	270.097226	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+ACN+H"	42.033826
"1214774"	156.065526	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+ACN+H"	42.033826
"1197563"	78.536401	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+ACN+2H"	43.041102
"193716"	273.03456	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+2Na-H"	44.97116
"633275"	387.06626	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+2Na-H"	44.97116
"1135684"	159.00286	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2Na-H"	44.97116
"176423"	137.020918	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+2Na"	45.978436
"617443"	194.036768	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+2Na"	45.978436
"1126418"	80.005068	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2Na"	45.978436
"1409941"	53.6724706666667	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H+2Na"	46.985712
"1438777"	161.044446	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H+HCOOH"	47.012746
"227380"	142.05394	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+3H2O+2H"	56.04448
"1512164"	175.09649	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+IsoProp+H"	61.06479
"415495"	145.007888	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+Na+K"	61.952376
"770289"	202.023738	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+Na+K"	61.952376
"1665808"	87.992038	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Na+K"	61.952376
"255331"	292.079168	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+ACN+Na"	64.015768
"1228406"	178.047468	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+ACN+Na"	64.015768
"1714375"	178.070993	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+NH4+HCOOH"	64.039293
"1181188"	60.9997846666667	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+3Na"	68.967654
"1652902"	183.026388	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Na+HCOOH"	68.994688
"161586"	304.98244	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+2K-H"	76.91904
"599325"	419.01414	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+2K-H"	76.91904
"1087846"	190.95074	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2K-H"	76.91904
"150141"	152.994858	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"2M+2K"	77.926316
"592983"	210.010708	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"3M+2K"	77.926316
"1072028"	95.979008	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2K"	77.926316
"1106330"	192.965292	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2K+H"	78.933592
"1344904"	193.052907	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+DMSO+H"	79.021207
"1011246"	197.092076	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2ACN+H"	83.060376
"1529371"	198.085708	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+IsoProp+Na+H"	84.054008
"992904"	99.049676	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+2ACN+2H"	84.067652
"1588865"	199.000328	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+K+HCOOH"	84.968628
"1417074"	229.031838	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+H+CF3COOH"	115.000138
"1150644"	119.562951	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+3ACN+2H"	125.094202
"1701288"	246.058385	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+NH4+CF3COOH"	132.026685
"1643509"	251.01378	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+Na+CF3COOH"	136.98208
"1571991"	266.98772	"C00596"	"2-Hydroxy-24-pentadienoate;cis-2-Hydroxypenta-24-dienoate;Oxopent-4-enoate;2-Oxopent-4-enoate;2-Hydroxypenta-24-dienoate"	"C5H6O3"	"114.0317"	"M+K+CF3COOH"	152.95602
"814631"	185.9929	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M"	0
"985249"	166.97451	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H2O-H"	-19.01839
"76409"	122.987990666667	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-3H"	-3.021828
"517305"	184.985624	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-3H"	-3.021828
"891949"	60.9903573333333	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-3H"	-3.021828
"14534"	184.985624	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H"	-2.014552
"447898"	277.982074	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H"	-2.014552
"825699"	91.989174	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H"	-2.014552
"88971"	370.978524	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-H"	-1.007276
"523427"	556.971424	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-H"	-1.007276
"900864"	184.985624	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H"	-1.007276
"51961"	388.005071	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H+NH4"	16.019271
"492614"	573.997971	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H+NH4"	16.019271
"870780"	202.012171	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H+NH4"	16.019271
"38319"	392.960466	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H+Na"	20.974666
"480068"	578.953366	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H+Na"	20.974666
"857870"	206.967566	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H+Na"	20.974666
"1629227"	206.967566	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na-2H"	20.974666
"103935"	202.973963	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-H+Cl"	33.962126
"541310"	295.970413	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-H+Cl"	33.962126
"933731"	109.977513	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+Cl"	33.962126
"272288"	406.955202	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Cl"	34.969402
"671269"	592.948102	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+Cl"	34.969402
"1282579"	220.962302	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl"	34.969402
"25137"	408.934406	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M-2H+K"	36.948606
"466886"	594.927306	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M-2H+K"	36.948606
"843595"	222.941506	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-2H+K"	36.948606
"1565990"	222.941506	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K-2H"	36.948606
"949499"	230.991094	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+HCOOH"	44.998194
"363705"	416.984001	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+HCOOH-H"	44.998201
"349774"	430.999651	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Hac-H"	59.013851
"1495324"	245.006751	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Hac-H"	59.013851
"961048"	252.973051	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+NaCOOH"	66.980151
"114695"	220.962302	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2Cl"	69.938804
"551703"	313.958752	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2Cl"	69.938804
"1024147"	127.965852	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2Cl"	69.938804
"1242997"	264.911785	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Br"	78.918885
"1309455"	266.967772	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl+HCOOH"	80.974872
"1329142"	288.949729	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl+NaCOOH"	102.956829
"918013"	298.978486	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M-H+CF3COOH"	112.985586
"1295815"	334.955164	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Cl+CF3COOH"	148.962264
"1371791"	150.980224	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H-2H2O"	-35.012676
"1388196"	168.9902	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H-H2O"	-17.0027
"287881"	372.993076	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H"	1.007276
"680304"	558.985976	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H"	1.007276
"1362122"	187.000176	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H"	1.007276
"137927"	187.000176	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2H"	2.014552
"576759"	279.996626	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2H"	2.014552
"1047743"	94.003726	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2H"	2.014552
"217832"	125.002542666667	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+3H"	3.021828
"656299"	187.000176	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+3H"	3.021828
"1171144"	63.0049093333333	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+3H"	3.021828
"433322"	390.019623	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+NH4"	18.033823
"797598"	576.012523	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+NH4"	18.033823
"1689554"	204.026723	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+NH4"	18.033823
"340019"	195.5134495	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H+NH4"	19.041099
"730258"	288.5098995	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H+NH4"	19.041099
"1484080"	102.5169995	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+NH4"	19.041099
"403850"	394.975018	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Na"	22.989218
"761566"	580.967918	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+Na"	22.989218
"1612945"	208.982118	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na"	22.989218
"318608"	197.991147	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H+Na"	23.996494
"717591"	290.987597	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H+Na"	23.996494
"1469226"	104.994697	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+Na"	23.996494
"1058097"	70.3322233333333	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2H+Na"	25.00377
"1267431"	219.026386	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+CH3OH+H"	33.033486
"384912"	410.948958	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+K"	38.963158
"743722"	596.941858	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+K"	38.963158
"1549055"	224.956058	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K"	38.963158
"302952"	205.978117	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+H+K"	39.970434
"698656"	298.974567	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+H+K"	39.970434
"1459648"	112.981667	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+K"	39.970434
"245452"	414.019626	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+ACN+H"	42.033826
"1214884"	228.026726	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+ACN+H"	42.033826
"1200951"	114.517001	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+ACN+2H"	43.041102
"194917"	416.95696	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2Na-H"	44.97116
"637757"	602.94986	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2Na-H"	44.97116
"1136890"	230.96406	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2Na-H"	44.97116
"180180"	208.982118	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2Na"	45.978436
"620834"	301.978568	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2Na"	45.978436
"1123248"	115.985668	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2Na"	45.978436
"1410052"	77.6595373333333	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+2Na"	46.985712
"1438888"	233.005646	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+HCOOH"	47.012746
"230407"	214.01514	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+3H2O+2H"	56.04448
"1513369"	247.05769	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+IsoProp+H"	61.06479
"415241"	216.969088	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+Na+K"	61.952376
"773321"	309.965538	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+Na+K"	61.952376
"1671475"	123.972638	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na+K"	61.952376
"254713"	436.001568	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+ACN+Na"	64.015768
"1229247"	250.008668	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+ACN+Na"	64.015768
"1717037"	250.032193	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+NH4+HCOOH"	64.039293
"1182758"	84.9868513333333	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+3Na"	68.967654
"1657027"	254.987588	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na+HCOOH"	68.994688
"158420"	448.90484	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2K-H"	76.91904
"600531"	634.89774	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2K-H"	76.91904
"1087957"	262.91194	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2K-H"	76.91904
"150251"	224.956058	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"2M+2K"	77.926316
"589812"	317.952508	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"3M+2K"	77.926316
"1069950"	131.959608	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2K"	77.926316
"1100241"	264.926492	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2K+H"	78.933592
"1341734"	265.014107	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+DMSO+H"	79.021207
"1006982"	269.053276	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2ACN+H"	83.060376
"1524538"	270.046908	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+IsoProp+Na+H"	84.054008
"991556"	135.030276	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+2ACN+2H"	84.067652
"1588245"	270.961528	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K+HCOOH"	84.968628
"1415364"	300.993038	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+H+CF3COOH"	115.000138
"1148567"	155.543551	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+3ACN+2H"	125.094202
"1698120"	318.019585	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+NH4+CF3COOH"	132.026685
"1643620"	322.97498	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+Na+CF3COOH"	136.98208
"1574896"	338.94892	"C00597"	"Glycerate 3-phosphate;3-Phosphoglycerate"	"C3H7O7P"	"185.9929"	"M+K+CF3COOH"	152.95602
"814011"	384.3392	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M"	0
"985359"	365.32081	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"76519"	255.218857333333	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"516078"	383.331924	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"890966"	127.105790666667	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"14765"	383.331924	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"448008"	575.501524	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"823623"	191.162324	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"89083"	767.671124	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"525359"	1152.010324	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"902067"	383.331924	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"53528"	784.697671	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"494909"	1169.036871	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"870889"	400.358471	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"40615"	789.653066	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"480178"	1173.992266	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"854700"	405.313866	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1627515"	405.313866	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"98579"	401.320263	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"538140"	593.489863	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"931654"	209.150663	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"269118"	803.647802	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"665912"	1187.987002	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1279409"	419.308602	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"23059"	805.627006	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"457392"	1189.966206	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"840425"	421.287806	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1563913"	421.287806	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"944141"	429.337394	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"365635"	813.676601	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"346968"	827.692251	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1495434"	443.353051	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"962616"	451.319351	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"114805"	419.308602	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"552178"	611.478202	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1027537"	227.139002	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1244930"	463.258085	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1309566"	465.314072	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1331438"	487.296029	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"919216"	497.324786	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1297019"	533.301464	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1369715"	349.326524	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1386119"	367.3365	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"284711"	769.685676	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"683695"	1154.024876	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1363325"	385.346476	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H"	1.007276
"139494"	385.346476	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"577962"	577.516076	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1048947"	193.176876	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"217944"	257.233409333333	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"656776"	385.346476	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1176722"	129.120342666667	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"438173"	786.712223	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"795521"	1171.051423	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1689664"	402.373023	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"343409"	393.8597495	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"730367"	586.0293495	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1483095"	201.6901495	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"400681"	791.667618	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"759490"	1176.006818	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1607588"	407.328418	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"320908"	396.337447	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"715517"	588.507047	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1469336"	204.167847	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1058208"	136.447656666667	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1262074"	417.372686	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"389761"	807.641558	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"743831"	1191.980758	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1545884"	423.302358	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+K"	38.963158
"307437"	404.324417	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"699860"	596.494017	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1459879"	212.154817	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"245562"	810.712226	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1217179"	426.373026	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1201063"	213.690151	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"192841"	813.64956	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"642241"	1197.98876	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1135907"	429.31036	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"181383"	407.328418	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"619851"	599.498018	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1123358"	215.158818	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1410162"	143.774970666667	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1437905"	431.351946	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"229788"	412.36144	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1513113"	445.40399	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"412433"	415.315388	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"773435"	607.484988	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1668304"	223.145788	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"254095"	832.694168	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1228994"	448.354968	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1713866"	448.378493	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1181773"	151.102284666667	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1652398"	453.333888	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"157558"	845.59744	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"599545"	1229.93664	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1085879"	461.25824	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"149268"	423.302358	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"589922"	615.471958	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1069451"	231.132758	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1099984"	463.272792	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1338563"	463.360407	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1008186"	467.399576	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1524851"	468.393208	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"990937"	234.203426	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1587262"	469.307828	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1414744"	499.339338	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1148678"	254.716701	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1697865"	516.365885	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1643730"	521.32128	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1572090"	537.29522	"C00599"	"Cholest-4-en-3-one;Cholestenone;4-Cholesten-3-one"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"815214"	120.0575	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M"	0
"982189"	101.03911	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"77721"	79.0310573333333	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"517810"	119.050224	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"892167"	39.0118906666667	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"14024"	119.050224	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"450305"	179.078974	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"828108"	59.021474	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"88100"	239.107724	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"525469"	359.165224	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"901448"	119.050224	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"51452"	256.134271	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"496115"	376.191771	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"871729"	136.076771	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"40726"	261.089666	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"479194"	381.147166	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"854810"	141.032166	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1627625"	141.032166	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"100875"	137.038563	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"538250"	197.067313	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"933951"	77.009813	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"271417"	275.084402	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"668210"	395.141902	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1281707"	155.026902	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"26451"	277.063606	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"463823"	397.121106	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"843816"	157.006106	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1564024"	157.006106	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"946802"	165.055694	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"369026"	285.113201	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"351818"	299.128851	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1495544"	179.071351	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"963090"	187.037651	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"114915"	155.026902	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"553745"	215.055652	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1027647"	94.998152	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1245040"	198.976385	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1312956"	201.032372	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1330458"	223.014329	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"919326"	233.043086	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1297130"	269.019764	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1370189"	85.044824	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1392791"	103.0548	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"290289"	241.122276	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"683805"	361.179776	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1360156"	121.064776	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H"	1.007276
"135232"	121.064776	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"576978"	181.093526	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1048693"	61.036026	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"215500"	81.0456093333333	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"655427"	121.064776	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1170272"	41.0264426666667	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"436460"	258.148823	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"794537"	378.206323	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1686492"	138.091323	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"338052"	129.5780495	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"729383"	189.6067995	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1483205"	69.5492995	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"399697"	263.104218	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"758507"	383.161718	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1605876"	143.046718	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"321017"	132.055747	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"716721"	192.084497	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1471632"	72.026997	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1060504"	48.3537566666667	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1266558"	153.090986	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"387319"	279.078158	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"742847"	399.135658	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1547087"	159.020658	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K"	38.963158
"311922"	140.042717	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"703251"	200.071467	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1460476"	80.013967	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"248589"	282.148826	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1220570"	162.091326	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1200080"	81.549301	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"196230"	285.08616	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"642351"	405.14366	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1137111"	165.02866	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"184773"	143.046718	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"622148"	203.075468	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1126750"	83.017968	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1406992"	55.6810706666667	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1440201"	167.070246	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"227711"	148.07974	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1511406"	181.12229	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"412182"	151.033688	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"772443"	211.062438	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1668049"	91.004938	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"254204"	304.130768	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1228006"	184.073268	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1716163"	184.096793	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1181156"	63.0083846666667	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1651781"	189.052188	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"158643"	317.03404	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"599046"	437.09154	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1085502"	196.97654	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"143909"	159.020658	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"581889"	219.049408	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1068641"	98.991908	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1100575"	198.991092	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1336111"	199.078707	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1008296"	203.117876	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1524962"	204.111508	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"990683"	102.062576	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1588101"	205.026128	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1415219"	235.057638	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1148059"	122.575851	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1699434"	252.084185	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1643840"	257.03958	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1571955"	273.01352	"C00601"	"Phenylacetaldehyde;alpha-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"810953"	134.0328	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M"	0
"979018"	115.01441	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H2O-H"	-19.01839
"74915"	88.347924	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-3H"	-3.021828
"512287"	133.025524	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-3H"	-3.021828
"894468"	43.670324	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-3H"	-3.021828
"14133"	133.025524	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H"	-2.014552
"453694"	200.041924	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H"	-2.014552
"831866"	66.009124	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H"	-2.014552
"84930"	267.058324	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-H"	-1.007276
"523396"	401.091124	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-H"	-1.007276
"901194"	133.025524	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H"	-1.007276
"51197"	284.084871	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H+NH4"	16.019271
"491855"	418.117671	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H+NH4"	16.019271
"872937"	150.052071	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H+NH4"	16.019271
"45579"	289.040266	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H+Na"	20.974666
"483681"	423.073066	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H+Na"	20.974666
"859295"	155.007466	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H+Na"	20.974666
"1628828"	155.007466	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na-2H"	20.974666
"97705"	151.013863	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-H+Cl"	33.962126
"538357"	218.030263	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-H+Cl"	33.962126
"934059"	83.997463	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+Cl"	33.962126
"274804"	303.035002	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Cl"	34.969402
"667223"	437.067802	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+Cl"	34.969402
"1276344"	169.002202	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl"	34.969402
"19998"	305.014206	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H+K"	36.948606
"462845"	439.047006	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H+K"	36.948606
"838459"	170.981406	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H+K"	36.948606
"1561945"	170.981406	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K-2H"	36.948606
"946911"	179.030994	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+HCOOH"	44.998194
"365126"	313.063801	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+HCOOH-H"	44.998201
"352290"	327.079451	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Hac-H"	59.013851
"1497479"	193.046651	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Hac-H"	59.013851
"962105"	201.012951	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+NaCOOH"	66.980151
"113927"	169.002202	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2Cl"	69.938804
"553854"	236.018602	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2Cl"	69.938804
"1031037"	101.985802	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2Cl"	69.938804
"1247335"	212.951685	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Br"	78.918885
"1314166"	215.007672	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl+HCOOH"	80.974872
"1326193"	236.989629	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl+NaCOOH"	102.956829
"915794"	247.018386	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+CF3COOH"	112.985586
"1290681"	282.995064	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl+CF3COOH"	148.962264
"1369571"	99.020124	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H-2H2O"	-35.012676
"1384150"	117.0301	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H-H2O"	-17.0027
"287119"	269.072876	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H"	1.007276
"682820"	403.105676	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H"	1.007276
"1358078"	135.040076	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H"	1.007276
"132060"	135.040076	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2H"	2.014552
"567612"	202.056476	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2H"	2.014552
"1041514"	68.023676	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2H"	2.014552
"215975"	90.362476	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+3H"	3.021828
"655537"	135.040076	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+3H"	3.021828
"1171475"	45.684876	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+3H"	3.021828
"436934"	286.099423	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+NH4"	18.033823
"790274"	420.132223	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+NH4"	18.033823
"1692072"	152.066623	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+NH4"	18.033823
"339258"	143.5533495	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H+NH4"	19.041099
"730586"	210.5697495	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H+NH4"	19.041099
"1485500"	76.5369495	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+NH4"	19.041099
"400899"	291.054818	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Na"	22.989218
"760801"	425.087618	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+Na"	22.989218
"1605623"	157.022018	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na"	22.989218
"322220"	146.031047	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H+Na"	23.996494
"716829"	213.047447	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H+Na"	23.996494
"1468462"	79.014647	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+Na"	23.996494
"1062801"	53.01219	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2H+Na"	25.00377
"1267396"	167.066286	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+CH3OH+H"	33.033486
"384148"	307.028758	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+K"	38.963158
"742957"	441.061558	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+K"	38.963158
"1546104"	172.995958	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K"	38.963158
"313692"	154.018017	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H+K"	39.970434
"705912"	221.034417	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H+K"	39.970434
"1456087"	87.001617	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+K"	39.970434
"242502"	310.099426	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+ACN+H"	42.033826
"1219589"	176.066626	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+ACN+H"	42.033826
"1203471"	88.536951	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+ACN+2H"	43.041102
"198528"	313.03676	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2Na-H"	44.97116
"639183"	447.06956	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2Na-H"	44.97116
"1138315"	179.00396	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2Na-H"	44.97116
"185977"	157.022018	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2Na"	45.978436
"625538"	224.038418	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2Na"	45.978436
"1126858"	90.005618	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2Na"	45.978436
"1407101"	60.339504	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+2Na"	46.985712
"1440311"	181.045546	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+HCOOH"	47.012746
"228916"	162.05504	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+3H2O+2H"	56.04448
"1512239"	195.09759	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+IsoProp+H"	61.06479
"412290"	165.008988	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Na+K"	61.952376
"775108"	232.025388	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+Na+K"	61.952376
"1667799"	97.992588	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na+K"	61.952376
"254315"	332.081368	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+ACN+Na"	64.015768
"1228483"	198.048568	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+ACN+Na"	64.015768
"1717737"	198.072093	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+NH4+HCOOH"	64.039293
"1181997"	67.666818	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+3Na"	68.967654
"1654077"	203.027488	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na+HCOOH"	68.994688
"159231"	344.98464	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2K-H"	76.91904
"598917"	479.01744	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2K-H"	76.91904
"1090483"	210.95184	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2K-H"	76.91904
"148393"	172.995958	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2K"	77.926316
"583579"	240.012358	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2K"	77.926316
"1072466"	105.979558	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2K"	77.926316
"1105679"	212.966392	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2K+H"	78.933592
"1338783"	213.054007	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+DMSO+H"	79.021207
"1008406"	217.093176	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2ACN+H"	83.060376
"1528721"	218.086808	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+IsoProp+Na+H"	84.054008
"992251"	109.050226	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2ACN+2H"	84.067652
"1588575"	219.001428	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K+HCOOH"	84.968628
"1415696"	249.032938	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+CF3COOH"	115.000138
"1149992"	129.563501	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+3ACN+2H"	125.094202
"1706113"	266.059485	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+NH4+CF3COOH"	132.026685
"1643951"	271.01488	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na+CF3COOH"	136.98208
"1572311"	286.98882	"C00603"	"(-)-Ureidoglycolate;(S)-Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K+CF3COOH"	152.95602
"811063"	180.0687	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M"	0
"979128"	161.05031	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-H2O-H"	-19.01839
"75025"	119.038524	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M-3H"	-3.021828
"517503"	179.061424	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M-3H"	-3.021828
"893480"	59.015624	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-3H"	-3.021828
"8776"	179.061424	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M-2H"	-2.014552
"454531"	269.095774	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M-2H"	-2.014552
"828326"	89.027074	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-2H"	-2.014552
"82124"	359.130124	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M-H"	-1.007276
"521319"	539.198824	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M-H"	-1.007276
"899120"	179.061424	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-H"	-1.007276
"50578"	376.156671	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M-2H+NH4"	16.019271
"491965"	556.225371	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M-2H+NH4"	16.019271
"878760"	196.087971	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-2H+NH4"	16.019271
"44959"	381.112066	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M-2H+Na"	20.974666
"485250"	561.180766	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M-2H+Na"	20.974666
"860501"	201.043366	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-2H+Na"	20.974666
"1628941"	201.043366	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Na-2H"	20.974666
"95992"	197.049763	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M-H+Cl"	33.962126
"539927"	287.084113	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M-H+Cl"	33.962126
"931253"	107.015413	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-H+Cl"	33.962126
"273821"	395.106802	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+Cl"	34.969402
"666239"	575.175502	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+Cl"	34.969402
"1276459"	215.038102	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Cl"	34.969402
"19015"	397.086006	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M-2H+K"	36.948606
"458574"	577.154706	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M-2H+K"	36.948606
"838934"	217.017306	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-2H+K"	36.948606
"1557318"	217.017306	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+K-2H"	36.948606
"944836"	225.066894	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-H+HCOOH"	44.998194
"364509"	405.135601	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+HCOOH-H"	44.998201
"348392"	419.151251	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+Hac-H"	59.013851
"1497228"	239.082551	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Hac-H"	59.013851
"965134"	247.048851	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-H+NaCOOH"	66.980151
"116229"	215.038102	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+2Cl"	69.938804
"554331"	305.072452	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+2Cl"	69.938804
"1025681"	125.003752	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2Cl"	69.938804
"1248540"	258.987585	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Br"	78.918885
"1311358"	261.043572	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Cl+HCOOH"	80.974872
"1326302"	283.025529	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Cl+NaCOOH"	102.956829
"914811"	293.054286	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M-H+CF3COOH"	112.985586
"1293343"	329.030964	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Cl+CF3COOH"	148.962264
"1371869"	145.056024	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H-2H2O"	-35.012676
"1383652"	163.066	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H-H2O"	-17.0027
"289416"	361.144676	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+H"	1.007276
"678921"	541.213376	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+H"	1.007276
"1358188"	181.075976	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H"	1.007276
"128890"	181.075976	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+2H"	2.014552
"576105"	271.110326	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+2H"	2.014552
"1041624"	91.041626	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2H"	2.014552
"216086"	121.053076	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+3H"	3.021828
"657832"	181.075976	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+3H"	3.021828
"1173773"	61.030176	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+3H"	3.021828
"437043"	378.171223	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+NH4"	18.033823
"798039"	558.239923	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+NH4"	18.033823
"1692182"	198.102523	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+NH4"	18.033823
"340462"	189.5892495	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+H+NH4"	19.041099
"732883"	279.6235995	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+H+NH4"	19.041099
"1482330"	99.5548995	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H+NH4"	19.041099
"403197"	383.126618	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+Na"	22.989218
"760913"	563.195318	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+Na"	22.989218
"1609016"	203.057918	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Na"	22.989218
"321239"	192.066947	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+H+Na"	23.996494
"715847"	282.101297	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+H+Na"	23.996494
"1471852"	102.032597	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H+Na"	23.996494
"1062911"	68.35749	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2H+Na"	25.00377
"1265320"	213.102186	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+CH3OH+H"	33.033486
"385351"	399.100558	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+K"	38.963158
"741973"	579.169258	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+K"	38.963158
"1549495"	219.031858	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+K"	38.963158
"307768"	200.053917	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+H+K"	39.970434
"704563"	290.088267	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+H+K"	39.970434
"1449637"	110.019567	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H+K"	39.970434
"242612"	402.171226	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+ACN+H"	42.033826
"1219698"	222.102526	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+ACN+H"	42.033826
"1203581"	111.554901	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+ACN+2H"	43.041102
"203867"	405.10856	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+2Na-H"	44.97116
"639293"	585.17726	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+2Na-H"	44.97116
"1140612"	225.03986	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2Na-H"	44.97116
"184994"	203.057918	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+2Na"	45.978436
"625648"	293.092268	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+2Na"	45.978436
"1123688"	113.023568	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2Na"	45.978436
"1403932"	75.684804	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H+2Na"	46.985712
"1434223"	227.081446	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H+HCOOH"	47.012746
"229026"	208.09094	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+3H2O+2H"	56.04448
"1511256"	241.13349	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+IsoProp+H"	61.06479
"411671"	211.044888	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+Na+K"	61.952376
"773397"	301.079238	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+Na+K"	61.952376
"1666452"	121.010538	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Na+K"	61.952376
"252604"	424.153168	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+ACN+Na"	64.015768
"1226530"	244.084468	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+ACN+Na"	64.015768
"1717849"	244.107993	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+NH4+HCOOH"	64.039293
"1185390"	83.012118	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+3Na"	68.967654
"1657469"	249.063388	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Na+HCOOH"	68.994688
"159341"	437.05644	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+2K-H"	76.91904
"599147"	617.12514	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+2K-H"	76.91904
"1090593"	256.98774	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2K-H"	76.91904
"149596"	219.031858	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"2M+2K"	77.926316
"582595"	309.066208	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"3M+2K"	77.926316
"1071483"	128.997508	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2K"	77.926316
"1102509"	259.002292	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2K+H"	78.933592
"1338892"	259.089907	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+DMSO+H"	79.021207
"1008514"	263.129076	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2ACN+H"	83.060376
"1527005"	264.122708	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+IsoProp+Na+H"	84.054008
"994184"	132.068176	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+2ACN+2H"	84.067652
"1589779"	265.037328	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+K+HCOOH"	84.968628
"1416536"	295.068838	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+H+CF3COOH"	115.000138
"1149009"	152.581451	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+3ACN+2H"	125.094202
"1709501"	312.095385	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+NH4+CF3COOH"	132.026685
"1644061"	317.05078	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+Na+CF3COOH"	136.98208
"1572421"	333.02472	"C00604"	"110-Phenanthroline;o-Phenanthroline"	"C12H8N2"	"180.0687"	"M+K+CF3COOH"	152.95602
"808985"	153.0096	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M"	0
"977050"	133.99121	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-H2O-H"	-19.01839
"68574"	100.999124	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M-3H"	-3.021828
"512510"	152.002324	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M-3H"	-3.021828
"887032"	49.995924	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-3H"	-3.021828
"8886"	152.002324	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M-2H"	-2.014552
"447353"	228.507124	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M-2H"	-2.014552
"818597"	75.497524	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-2H"	-2.014552
"79319"	305.011924	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M-H"	-1.007276
"521430"	458.021524	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M-H"	-1.007276
"896437"	152.002324	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-H"	-1.007276
"49597"	322.038471	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M-2H+NH4"	16.019271
"489885"	475.048071	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M-2H+NH4"	16.019271
"874252"	169.028871	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-2H+NH4"	16.019271
"45071"	326.993866	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M-2H+Na"	20.974666
"482810"	480.003466	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M-2H+Na"	20.974666
"861340"	173.984266	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-2H+Na"	20.974666
"1630145"	173.984266	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Na-2H"	20.974666
"98289"	169.990663	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M-H+Cl"	33.962126
"537483"	246.495463	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M-H+Cl"	33.962126
"936464"	93.485863	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-H+Cl"	33.962126
"270649"	340.988602	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+Cl"	34.969402
"661246"	493.998202	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+Cl"	34.969402
"1276568"	187.979002	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Cl"	34.969402
"16815"	342.967806	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M-2H+K"	36.948606
"460879"	495.977406	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M-2H+K"	36.948606
"835763"	189.958206	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-2H+K"	36.948606
"1558887"	189.958206	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+K-2H"	36.948606
"944217"	198.007794	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-H+HCOOH"	44.998194
"364619"	351.017401	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+HCOOH-H"	44.998201
"353245"	365.033051	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+Hac-H"	59.013851
"1499891"	212.023451	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Hac-H"	59.013851
"964151"	219.989751	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-H+NaCOOH"	66.980151
"121442"	187.979002	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+2Cl"	69.938804
"559180"	264.483802	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+2Cl"	69.938804
"1030165"	111.474202	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2Cl"	69.938804
"1253032"	231.928485	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Br"	78.918885
"1311105"	233.984472	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Cl+HCOOH"	80.974872
"1323863"	255.966429	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Cl+NaCOOH"	102.956829
"913461"	265.995186	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M-H+CF3COOH"	112.985586
"1296369"	301.971864	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Cl+CF3COOH"	148.962264
"1370519"	117.996924	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H-2H2O"	-35.012676
"1385830"	136.0069	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H-H2O"	-17.0027
"287339"	307.026476	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+H"	1.007276
"681947"	460.036076	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+H"	1.007276
"1358299"	154.016876	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H"	1.007276
"127177"	154.016876	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+2H"	2.014552
"572935"	230.521676	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+2H"	2.014552
"1045015"	77.512076	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2H"	2.014552
"216197"	103.013676	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+3H"	3.021828
"653569"	154.016876	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+3H"	3.021828
"1174976"	52.010476	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+3H"	3.021828
"436060"	324.053023	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+NH4"	18.033823
"798149"	477.062623	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+NH4"	18.033823
"1687923"	171.043423	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+NH4"	18.033823
"339479"	162.5301495	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+H+NH4"	19.041099
"731900"	239.0349495	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+H+NH4"	19.041099
"1482439"	86.0253495	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H+NH4"	19.041099
"396745"	329.008418	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+Na"	22.989218
"758836"	482.018018	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+Na"	22.989218
"1605841"	175.998818	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Na"	22.989218
"320252"	165.007847	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+H+Na"	23.996494
"715954"	241.512647	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+H+Na"	23.996494
"1465401"	88.503047	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H+Na"	23.996494
"1060834"	59.33779	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2H+Na"	25.00377
"1265792"	186.043086	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+CH3OH+H"	33.033486
"378169"	344.982358	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+K"	38.963158
"742083"	497.991958	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+K"	38.963158
"1547420"	191.972758	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+K"	38.963158
"305690"	172.994817	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+H+K"	39.970434
"695927"	249.499617	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+H+K"	39.970434
"1455947"	96.490017	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H+K"	39.970434
"243819"	348.053026	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+ACN+H"	42.033826
"1220902"	195.043426	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+ACN+H"	42.033826
"1203691"	98.025351	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+ACN+2H"	43.041102
"196564"	350.99036	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+2Na-H"	44.97116
"637215"	503.99996	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+2Na-H"	44.97116
"1141814"	197.98076	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2Na-H"	44.97116
"184010"	175.998818	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+2Na"	45.978436
"621386"	252.503618	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+2Na"	45.978436
"1122704"	99.494018	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2Na"	45.978436
"1404041"	66.665104	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H+2Na"	46.985712
"1432151"	200.022346	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H+HCOOH"	47.012746
"222573"	181.03184	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+3H2O+2H"	56.04448
"1509907"	214.07439	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+IsoProp+H"	61.06479
"409598"	183.985788	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+Na+K"	61.952376
"772418"	260.490588	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+Na+K"	61.952376
"1668015"	107.480988	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Na+K"	61.952376
"254898"	370.034968	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+ACN+Na"	64.015768
"1227609"	217.025368	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+ACN+Na"	64.015768
"1714671"	217.048893	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+NH4+HCOOH"	64.039293
"1183306"	73.992418	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+3Na"	68.967654
"1653564"	222.004288	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Na+HCOOH"	68.994688
"160063"	382.93824	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+2K-H"	76.91904
"609475"	535.94784	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+2K-H"	76.91904
"1093986"	229.92864	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2K-H"	76.91904
"149707"	191.972758	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"2M+2K"	77.926316
"588178"	268.477558	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"3M+2K"	77.926316
"1072327"	115.467958	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2K"	77.926316
"1102984"	231.943192	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2K+H"	78.933592
"1339368"	232.030807	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+DMSO+H"	79.021207
"1007168"	236.069976	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2ACN+H"	83.060376
"1526025"	237.063608	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+IsoProp+Na+H"	84.054008
"991131"	118.538626	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+2ACN+2H"	84.067652
"1597549"	237.978228	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+K+HCOOH"	84.968628
"1417740"	268.009738	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+H+CF3COOH"	115.000138
"1156782"	139.051901	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+3ACN+2H"	125.094202
"1707426"	285.036285	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+NH4+CF3COOH"	132.026685
"1637610"	289.99168	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+Na+CF3COOH"	136.98208
"1572165"	305.96562	"C00606"	"3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-Sulphino-L-alanine;3-Sulfinoalanine"	"C3H7NO4S"	"153.0096"	"M+K+CF3COOH"	152.95602
"808005"	383.1428	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M"	0
"982637"	364.12441	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H2O-H"	-19.01839
"69785"	254.421257333333	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-3H"	-3.021828
"507157"	382.135524	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-3H"	-3.021828
"881679"	126.706990666667	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-3H"	-3.021828
"494"	382.135524	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H"	-2.014552
"444185"	573.706924	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H"	-2.014552
"821256"	190.564124	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H"	-2.014552
"80157"	765.278324	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-H"	-1.007276
"519718"	1148.421124	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-H"	-1.007276
"904814"	382.135524	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H"	-1.007276
"57003"	782.304871	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+NH4"	16.019271
"495469"	1165.447671	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+NH4"	16.019271
"874365"	399.162071	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+NH4"	16.019271
"42265"	787.260266	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+Na"	20.974666
"481825"	1170.403066	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+Na"	20.974666
"855253"	404.117466	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+Na"	20.974666
"1625879"	404.117466	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na-2H"	20.974666
"96939"	400.123863	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-H+Cl"	33.962126
"540873"	591.695263	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-H+Cl"	33.962126
"930015"	208.552463	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+Cl"	33.962126
"269672"	801.255002	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Cl"	34.969402
"673031"	1184.397802	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Cl"	34.969402
"1275592"	418.112202	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl"	34.969402
"18150"	803.234206	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+K"	36.948606
"456610"	1186.377006	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+K"	36.948606
"835875"	420.091406	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+K"	36.948606
"1559002"	420.091406	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K-2H"	36.948606
"944697"	428.140994	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+HCOOH"	44.998194
"368381"	811.283801	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+HCOOH-H"	44.998201
"352263"	825.299451	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Hac-H"	59.013851
"1498180"	442.156651	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Hac-H"	59.013851
"962439"	450.122951	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+NaCOOH"	66.980151
"120828"	418.112202	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Cl"	69.938804
"555286"	609.683602	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Cl"	69.938804
"1034293"	226.540802	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Cl"	69.938804
"1250954"	462.061685	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Br"	78.918885
"1311216"	464.117672	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+HCOOH"	80.974872
"1321785"	486.099629	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+NaCOOH"	102.956829
"914302"	496.128386	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+CF3COOH"	112.985586
"1296476"	532.105064	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+CF3COOH"	148.962264
"1371357"	348.130124	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H-2H2O"	-35.012676
"1391043"	366.1401	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H-H2O"	-17.0027
"286352"	767.292876	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H"	1.007276
"682057"	1150.435676	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H"	1.007276
"1364239"	384.150076	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H"	1.007276
"135672"	384.150076	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2H"	2.014552
"575961"	575.721476	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2H"	2.014552
"1050958"	192.578676	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2H"	2.014552
"213025"	256.435809333333	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+3H"	3.021828
"655869"	384.150076	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+3H"	3.021828
"1170713"	128.721542666667	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3H"	3.021828
"428516"	784.319423	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+NH4"	18.033823
"798261"	1167.462223	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+NH4"	18.033823
"1686935"	401.176623	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4"	18.033823
"334119"	392.6633495	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+NH4"	19.041099
"728729"	584.2347495	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+NH4"	19.041099
"1482552"	201.0919495	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+NH4"	19.041099
"401233"	789.274818	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Na"	22.989218
"760042"	1172.417618	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Na"	22.989218
"1615064"	406.132018	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na"	22.989218
"320360"	395.141047	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+Na"	23.996494
"714973"	586.712447	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+Na"	23.996494
"1467700"	203.569647	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+Na"	23.996494
"1054382"	136.048856666667	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2H+Na"	25.00377
"1263716"	416.176286	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+CH3OH+H"	33.033486
"383387"	805.248758	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+K"	38.963158
"745479"	1188.391558	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+K"	38.963158
"1548622"	422.105958	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K"	38.963158
"306163"	403.128017	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+K"	39.970434
"701508"	594.699417	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+K"	39.970434
"1455329"	211.556617	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+K"	39.970434
"245021"	808.319426	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+H"	42.033826
"1221012"	425.176626	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+H"	42.033826
"1204897"	213.091951	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+2H"	43.041102
"200317"	811.25676	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Na-H"	44.97116
"639149"	1194.39956	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Na-H"	44.97116
"1143749"	428.11396	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Na-H"	44.97116
"183029"	406.132018	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Na"	45.978436
"621138"	597.703418	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Na"	45.978436
"1121727"	214.560618	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Na"	45.978436
"1404158"	143.376170666667	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+2Na"	46.985712
"1435910"	430.155546	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+HCOOH"	47.012746
"222688"	411.16504	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+3H2O+2H"	56.04448
"1510749"	444.20759	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+H"	61.06479
"413719"	414.118988	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Na+K"	61.952376
"772529"	605.690388	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Na+K"	61.952376
"1668859"	222.547588	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+K"	61.952376
"255741"	830.301368	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+Na"	64.015768
"1229541"	447.158568	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+Na"	64.015768
"1722081"	447.182093	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4+HCOOH"	64.039293
"1186706"	150.703484666667	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3Na"	68.967654
"1663162"	452.137488	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+HCOOH"	68.994688
"171119"	843.20464	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2K-H"	76.91904
"603026"	1226.34744	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2K-H"	76.91904
"1091912"	460.06184	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K-H"	76.91904
"145812"	422.105958	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2K"	77.926316
"587195"	613.677358	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2K"	77.926316
"1072438"	230.534558	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K"	77.926316
"1102732"	462.076392	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K+H"	78.933592
"1338751"	462.164007	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+DMSO+H"	79.021207
"1013118"	466.203176	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+H"	83.060376
"1530150"	467.196808	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+Na+H"	84.054008
"996596"	233.605226	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+2H"	84.067652
"1591101"	468.111428	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K+HCOOH"	84.968628
"1422227"	498.142938	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+CF3COOH"	115.000138
"1152516"	254.118501	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3ACN+2H"	125.094202
"1697694"	515.169485	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4+CF3COOH"	132.026685
"1637722"	520.12488	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+CF3COOH"	136.98208
"1573373"	536.09882	"C00611"	"N-Acetyllactosamine;beta-D-Galactosyl-14-N-acetyl-D-glucosamine;beta-D-Galactosyl-14-N-acetyl-beta-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K+CF3COOH"	152.95602
"815650"	187.1685	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M"	0
"979462"	168.15011	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H2O-H"	-19.01839
"68799"	123.771724	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-3H"	-3.021828
"505077"	186.161224	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-3H"	-3.021828
"881057"	61.382224	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-3H"	-3.021828
"2552"	186.161224	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H"	-2.014552
"442110"	279.745474	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H"	-2.014552
"818819"	92.576974	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H"	-2.014552
"81001"	373.329724	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-H"	-1.007276
"519950"	560.498224	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-H"	-1.007276
"898363"	186.161224	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H"	-1.007276
"50551"	390.356271	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H+NH4"	16.019271
"490112"	577.524771	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H+NH4"	16.019271
"870100"	203.187771	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H+NH4"	16.019271
"36908"	395.311666	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H+Na"	20.974666
"479748"	582.480166	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H+Na"	20.974666
"855363"	208.143166	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H+Na"	20.974666
"1622710"	208.143166	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na-2H"	20.974666
"98144"	204.149563	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-H+Cl"	33.962126
"534587"	297.733813	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-H+Cl"	33.962126
"928302"	110.565313	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+Cl"	33.962126
"268687"	409.306402	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Cl"	34.969402
"663300"	596.474902	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+Cl"	34.969402
"1273637"	222.137902	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl"	34.969402
"16150"	411.285606	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H+K"	36.948606
"455851"	598.454106	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H+K"	36.948606
"832954"	224.117106	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H+K"	36.948606
"1556437"	224.117106	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K-2H"	36.948606
"943832"	232.166694	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+HCOOH"	44.998194
"362656"	419.335201	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+HCOOH-H"	44.998201
"347999"	433.350851	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Hac-H"	59.013851
"1493915"	246.182351	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Hac-H"	59.013851
"960726"	254.148651	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+NaCOOH"	66.980151
"110726"	222.137902	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2Cl"	69.938804
"551750"	315.722152	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2Cl"	69.938804
"1022735"	128.553652	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2Cl"	69.938804
"1244504"	266.087385	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Br"	78.918885
"1305129"	268.143372	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl+HCOOH"	80.974872
"1320801"	290.125329	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl+NaCOOH"	102.956829
"911612"	300.154086	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+CF3COOH"	112.985586
"1291483"	336.130764	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl+CF3COOH"	148.962264
"1370739"	152.155824	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H-2H2O"	-35.012676
"1386774"	170.1658	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H-H2O"	-17.0027
"287554"	375.344276	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H"	1.007276
"681072"	562.512776	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H"	1.007276
"1358516"	188.175776	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H"	1.007276
"135780"	188.175776	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2H"	2.014552
"573155"	281.760026	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2H"	2.014552
"1048515"	94.591526	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2H"	2.014552
"216417"	125.786276	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+3H"	3.021828
"655980"	188.175776	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+3H"	3.021828
"1169728"	63.396776	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+3H"	3.021828
"429719"	392.370823	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+NH4"	18.033823
"797277"	579.539323	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+NH4"	18.033823
"1687045"	205.202323	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+NH4"	18.033823
"334229"	196.6890495	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H+NH4"	19.041099
"732120"	290.2732995	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H+NH4"	19.041099
"1487035"	103.1047995	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+NH4"	19.041099
"404623"	397.326218	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Na"	22.989218
"765616"	584.494718	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+Na"	22.989218
"1612621"	210.157718	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na"	22.989218
"323752"	199.166747	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H+Na"	23.996494
"717267"	292.750997	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H+Na"	23.996494
"1468902"	105.582497	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+Na"	23.996494
"1056679"	70.72409	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2H+Na"	25.00377
"1264920"	220.201986	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+CH3OH+H"	33.033486
"383495"	413.300158	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+K"	38.963158
"743398"	600.468658	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+K"	38.963158
"1548731"	226.131658	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K"	38.963158
"305915"	207.153717	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H+K"	39.970434
"701618"	300.737967	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H+K"	39.970434
"1452157"	113.569467	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+K"	39.970434
"242946"	416.370826	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+ACN+H"	42.033826
"1220758"	229.202326	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+ACN+H"	42.033826
"1201724"	115.104801	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+ACN+2H"	43.041102
"200427"	419.30816	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2Na-H"	44.97116
"640352"	606.47666	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2Na-H"	44.97116
"1142036"	232.13966	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2Na-H"	44.97116
"184968"	210.157718	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2Na"	45.978436
"621612"	303.741968	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2Na"	45.978436
"1121837"	116.573468	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2Na"	45.978436
"1406821"	78.051404	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+2Na"	46.985712
"1436020"	234.181246	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+HCOOH"	47.012746
"223162"	215.19074	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+3H2O+2H"	56.04448
"1513045"	248.23329	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+IsoProp+H"	61.06479
"416015"	218.144688	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Na+K"	61.952376
"777011"	311.728938	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+Na+K"	61.952376
"1674071"	124.560438	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na+K"	61.952376
"261317"	438.352768	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+ACN+Na"	64.015768
"1232568"	251.184268	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+ACN+Na"	64.015768
"1719275"	251.207793	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+NH4+HCOOH"	64.039293
"1184628"	85.378718	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+3Na"	68.967654
"1657076"	256.163188	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na+HCOOH"	68.994688
"163208"	451.25604	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2K-H"	76.91904
"606415"	638.42454	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2K-H"	76.91904
"1090928"	264.08754	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2K-H"	76.91904
"144827"	226.131658	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2K"	77.926316
"587304"	319.715908	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2K"	77.926316
"1073277"	132.547408	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2K"	77.926316
"1103207"	266.102092	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2K+H"	78.933592
"1341415"	266.189707	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+DMSO+H"	79.021207
"1013228"	270.228876	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2ACN+H"	83.060376
"1529165"	271.222508	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+IsoProp+Na+H"	84.054008
"997800"	135.618076	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2ACN+2H"	84.067652
"1591210"	272.137128	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K+HCOOH"	84.968628
"1416871"	302.168638	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+CF3COOH"	115.000138
"1149347"	156.131351	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+3ACN+2H"	125.094202
"1706555"	319.195185	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+NH4+CF3COOH"	132.026685
"1636739"	324.15058	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na+CF3COOH"	136.98208
"1573483"	340.12452	"C00612"	"N1-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K+CF3COOH"	152.95602
"802150"	381.9995	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M"	0
"974874"	362.98111	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-H2O-H"	-19.01839
"63558"	253.659057333333	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M-3H"	-3.021828
"503726"	380.992224	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M-3H"	-3.021828
"880799"	126.325890666667	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-3H"	-3.021828
"1565"	380.992224	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M-2H"	-2.014552
"442583"	571.991974	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M-2H"	-2.014552
"820022"	189.992474	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-2H"	-2.014552
"81835"	762.991724	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M-H"	-1.007276
"520426"	1144.991224	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M-H"	-1.007276
"897377"	380.992224	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-H"	-1.007276
"50662"	780.018271	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M-2H+NH4"	16.019271
"492408"	1162.017771	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M-2H+NH4"	16.019271
"873493"	398.018771	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-2H+NH4"	16.019271
"39206"	784.973666	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M-2H+Na"	20.974666
"476579"	1166.973166	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M-2H+Na"	20.974666
"854380"	402.974166	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-2H+Na"	20.974666
"1620751"	402.974166	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Na-2H"	20.974666
"95581"	398.980563	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M-H+Cl"	33.962126
"535627"	589.980313	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M-H+Cl"	33.962126
"929507"	207.980813	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-H+Cl"	33.962126
"268186"	798.968402	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+Cl"	34.969402
"660242"	1180.967902	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+Cl"	34.969402
"1276907"	416.968902	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Cl"	34.969402
"17640"	800.947606	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M-2H+K"	36.948606
"456101"	1182.947106	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M-2H+K"	36.948606
"839014"	418.948106	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-2H+K"	36.948606
"1563595"	418.948106	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+K-2H"	36.948606
"947104"	426.997694	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-H+HCOOH"	44.998194
"364955"	808.997201	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+HCOOH-H"	44.998201
"347014"	823.012851	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+Hac-H"	59.013851
"1494751"	441.013351	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Hac-H"	59.013851
"960469"	448.979651	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-H+NaCOOH"	66.980151
"110715"	416.968902	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+2Cl"	69.938804
"550073"	607.968652	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+2Cl"	69.938804
"1029411"	225.969152	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2Cl"	69.938804
"1247163"	460.918385	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Br"	78.918885
"1307061"	462.974372	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Cl+HCOOH"	80.974872
"1321641"	484.956329	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Cl+NaCOOH"	102.956829
"913425"	494.985086	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M-H+CF3COOH"	112.985586
"1292686"	530.961764	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Cl+CF3COOH"	148.962264
"1377046"	346.986824	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H-2H2O"	-35.012676
"1386158"	364.9968	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H-H2O"	-17.0027
"292044"	765.006276	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+H"	1.007276
"681185"	1147.005776	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+H"	1.007276
"1359723"	383.006776	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H"	1.007276
"132610"	383.006776	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+2H"	2.014552
"575089"	574.006526	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+2H"	2.014552
"1039513"	192.007026	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2H"	2.014552
"206322"	255.673609333333	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+3H"	3.021828
"647340"	383.006776	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+3H"	3.021828
"1168745"	128.340442666667	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+3H"	3.021828
"428739"	782.032823	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+NH4"	18.033823
"795200"	1164.032323	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+NH4"	18.033823
"1690436"	400.033323	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+NH4"	18.033823
"338717"	391.5200495	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+H+NH4"	19.041099
"733326"	582.5197995	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+H+NH4"	19.041099
"1489334"	200.5202995	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H+NH4"	19.041099
"400358"	786.988218	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+Na"	22.989218
"761351"	1168.987718	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+Na"	22.989218
"1612732"	404.988718	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Na"	22.989218
"321676"	393.997747	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+H+Na"	23.996494
"711181"	584.997497	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+H+Na"	23.996494
"1462696"	202.997997	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H+Na"	23.996494
"1057883"	135.667756666667	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2H+Na"	25.00377
"1262115"	415.032986	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+CH3OH+H"	33.033486
"383606"	802.962158	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+K"	38.963158
"741690"	1184.961658	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+K"	38.963158
"1546663"	420.962658	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+K"	38.963158
"308214"	401.984717	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+H+K"	39.970434
"701728"	592.984467	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+H+K"	39.970434
"1455549"	210.984967	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H+K"	39.970434
"245243"	806.032826	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+ACN+H"	42.033826
"1216859"	424.033326	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+ACN+H"	42.033826
"1205114"	212.520301	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+ACN+2H"	43.041102
"197621"	808.97016	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+2Na-H"	44.97116
"634276"	1190.96966	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+2Na-H"	44.97116
"1135594"	426.97066	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2Na-H"	44.97116
"177789"	404.988718	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+2Na"	45.978436
"617711"	595.988468	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+2Na"	45.978436
"1118667"	213.988968	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2Na"	45.978436
"1403284"	142.995070666667	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H+2Na"	46.985712
"1435401"	429.012246	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H+HCOOH"	47.012746
"225095"	410.02174	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+3H2O+2H"	56.04448
"1515345"	443.06429	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+IsoProp+H"	61.06479
"417952"	412.975688	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+Na+K"	61.952376
"774938"	603.975438	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+Na+K"	61.952376
"1667986"	221.975938	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Na+K"	61.952376
"254509"	828.014768	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+ACN+Na"	64.015768
"1226971"	446.015268	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+ACN+Na"	64.015768
"1720480"	446.038793	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+NH4+HCOOH"	64.039293
"1181828"	150.322384666667	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+3Na"	68.967654
"1653908"	450.994188	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Na+HCOOH"	68.994688
"164047"	840.91804	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+2K-H"	76.91904
"605430"	1222.91754	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+2K-H"	76.91904
"1091035"	458.91854	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2K-H"	76.91904
"144208"	420.962658	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"2M+2K"	77.926316
"583406"	611.962408	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"3M+2K"	77.926316
"1071201"	229.962908	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2K"	77.926316
"1107329"	460.933092	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2K+H"	78.933592
"1343713"	461.020707	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+DMSO+H"	79.021207
"1012244"	465.059876	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2ACN+H"	83.060376
"1533648"	466.053508	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+IsoProp+Na+H"	84.054008
"1000097"	233.033576	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+2ACN+2H"	84.067652
"1592415"	466.968128	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+K+HCOOH"	84.968628
"1422447"	496.999638	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+H+CF3COOH"	115.000138
"1152736"	253.546851	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+3ACN+2H"	125.094202
"1706662"	514.026185	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+NH4+CF3COOH"	132.026685
"1641226"	518.98158	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+Na+CF3COOH"	136.98208
"1579065"	534.95552	"C00616"	"Quercetin 3-sulfate"	"C15H10O10S"	"381.9995"	"M+K+CF3COOH"	152.95602
"801666"	580.0343	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M"	0
"974459"	561.01591	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-H2O-H"	-19.01839
"64645"	385.682257333333	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M-3H"	-3.021828
"503356"	579.027024	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M-3H"	-3.021828
"880913"	192.337490666667	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-3H"	-3.021828
"582"	579.027024	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M-2H"	-2.014552
"442332"	869.044174	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M-2H"	-2.014552
"819403"	289.009874	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-2H"	-2.014552
"83404"	1159.061324	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M-H"	-1.007276
"521873"	1739.095624	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M-H"	-1.007276
"896760"	579.027024	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-H"	-1.007276
"51860"	1176.087871	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+NH4"	16.019271
"490331"	1756.122171	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+NH4"	16.019271
"874696"	596.053571	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-2H+NH4"	16.019271
"38223"	1181.043266	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+Na"	20.974666
"476690"	1761.077566	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+Na"	20.974666
"853398"	601.008966	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-2H+Na"	20.974666
"1621105"	601.008966	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Na-2H"	20.974666
"95569"	597.015363	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M-H+Cl"	33.962126
"536832"	887.032513	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M-H+Cl"	33.962126
"929258"	306.998213	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-H+Cl"	33.962126
"267935"	1195.038002	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+Cl"	34.969402
"663521"	1775.072302	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+Cl"	34.969402
"1274709"	615.003702	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Cl"	34.969402
"17630"	1197.017206	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+K"	36.948606
"464604"	1777.051506	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+K"	36.948606
"835117"	616.982906	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-2H+K"	36.948606
"1558240"	616.982906	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+K-2H"	36.948606
"947214"	625.032494	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-H+HCOOH"	44.998194
"362150"	1205.066801	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+HCOOH-H"	44.998201
"346757"	1219.082451	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+Hac-H"	59.013851
"1493769"	639.048151	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Hac-H"	59.013851
"959488"	647.014451	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-H+NaCOOH"	66.980151
"110342"	615.003702	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+2Cl"	69.938804
"551725"	905.020852	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+2Cl"	69.938804
"1028791"	324.986552	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2Cl"	69.938804
"1247273"	658.953185	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Br"	78.918885
"1307537"	661.009172	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+HCOOH"	80.974872
"1325761"	682.991129	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+NaCOOH"	102.956829
"916087"	693.019886	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M-H+CF3COOH"	112.985586
"1294618"	728.996564	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+CF3COOH"	148.962264
"1377157"	545.021624	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H-2H2O"	-35.012676
"1393195"	563.0316	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H-H2O"	-17.0027
"283892"	1161.075876	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+H"	1.007276
"680203"	1741.110176	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+H"	1.007276
"1355459"	581.041576	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H"	1.007276
"137098"	581.041576	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+2H"	2.014552
"578481"	871.058726	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+2H"	2.014552
"1046549"	291.024426	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2H"	2.014552
"213358"	387.696809333333	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+3H"	3.021828
"647084"	581.041576	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+3H"	3.021828
"1167762"	194.352042666667	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+3H"	3.021828
"432130"	1178.102423	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+NH4"	18.033823
"792030"	1758.136723	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+NH4"	18.033823
"1694925"	598.068123	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+NH4"	18.033823
"333363"	589.5548495	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+H+NH4"	19.041099
"725785"	879.5719995	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+H+NH4"	19.041099
"1486167"	299.5376995	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H+NH4"	19.041099
"402657"	1183.057818	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+Na"	22.989218
"762556"	1763.092118	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+Na"	22.989218
"1609564"	603.023518	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Na"	22.989218
"321785"	592.032547	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+H+Na"	23.996494
"709830"	882.049697	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+H+Na"	23.996494
"1462319"	302.015397	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H+Na"	23.996494
"1055808"	201.679356666667	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2H+Na"	25.00377
"1261859"	613.067786	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+CH3OH+H"	33.033486
"379098"	1199.031758	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+K"	38.963158
"739978"	1779.066058	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+K"	38.963158
"1548961"	618.997458	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+K"	38.963158
"306137"	600.019517	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+H+K"	39.970434
"695279"	890.036667	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+H+K"	39.970434
"1451285"	310.002367	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H+K"	39.970434
"243167"	1202.102426	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+ACN+H"	42.033826
"1219156"	622.068126	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+H"	42.033826
"1204131"	311.537701	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+2H"	43.041102
"198826"	1205.03976	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+2Na-H"	44.97116
"635476"	1785.07406	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+2Na-H"	44.97116
"1137889"	625.00546	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2Na-H"	44.97116
"181178"	603.023518	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+2Na"	45.978436
"613444"	893.040668	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+2Na"	45.978436
"1118777"	313.006368	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2Na"	45.978436
"1405583"	209.006670666667	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H+2Na"	46.985712
"1435511"	627.047046	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H+HCOOH"	47.012746
"228487"	608.05654	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+3H2O+2H"	56.04448
"1514364"	641.09909	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+IsoProp+H"	61.06479
"415145"	611.010488	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+Na+K"	61.952376
"775048"	901.027638	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+Na+K"	61.952376
"1671377"	320.993338	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Na+K"	61.952376
"252551"	1224.084368	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+ACN+Na"	64.015768
"1227689"	644.050068	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+Na"	64.015768
"1720590"	644.073593	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+NH4+HCOOH"	64.039293
"1182301"	216.333984666667	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+3Na"	68.967654
"1656930"	649.028988	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Na+HCOOH"	68.994688
"167071"	1236.98764	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+2K-H"	76.91904
"602259"	1817.02194	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+2K-H"	76.91904
"1086774"	656.95334	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2K-H"	76.91904
"144687"	618.997458	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"2M+2K"	77.926316
"586433"	909.014608	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"3M+2K"	77.926316
"1075322"	328.980308	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2K"	77.926316
"1104157"	658.967892	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2K+H"	78.933592
"1340543"	659.055507	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+DMSO+H"	79.021207
"1011260"	663.094676	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2ACN+H"	83.060376
"1531572"	664.088308	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+IsoProp+Na+H"	84.054008
"993645"	332.050976	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+2ACN+2H"	84.067652
"1589244"	665.002928	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+K+HCOOH"	84.968628
"1420369"	695.034438	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+H+CF3COOH"	115.000138
"1152847"	352.564251	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+3ACN+2H"	125.094202
"1698022"	712.060985	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+NH4+CF3COOH"	132.026685
"1636960"	717.01638	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+Na+CF3COOH"	136.98208
"1573707"	732.99032	"C00617"	"UDP-D-galacturonate;UDPgalacturonate;UDP-alpha-D-galacturonate"	"C15H22N2O18P2"	"580.0343"	"M+K+CF3COOH"	152.95602
"801886"	194.0427	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M"	0
"974344"	175.02431	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"64026"	128.354524	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"502975"	193.035424	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"882116"	63.673624	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"1785"	193.035424	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"443534"	290.056774	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"819149"	96.014074	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"83514"	387.078124	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"523074"	581.120824	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"897234"	193.035424	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"49783"	404.104671	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"489348"	598.147371	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"867151"	210.061971	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"36145"	409.060066	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"475707"	603.102766	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"852415"	215.017366	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1618907"	215.017366	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"94830"	211.023763	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"536213"	308.045113	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"927423"	114.002413	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"270114"	423.054802	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"663631"	617.097502	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1274577"	229.012102	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"17498"	425.034006	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"462527"	619.076706	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"837414"	230.991306	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1560537"	230.991306	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"945502"	239.040894	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"364813"	433.083601	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"348322"	447.099251	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1494242"	253.056551	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"961420"	261.022851	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"111424"	229.012102	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"551715"	326.033452	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1030724"	131.990752	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1246654"	272.961585	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1310565"	275.017572	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1326236"	296.999529	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"922398"	307.028286	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1302022"	343.004964	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1375082"	159.030024	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1391485"	177.04	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"287891"	389.092676	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"682500"	583.135376	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1357756"	195.049976	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"134657"	195.049976	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"578227"	292.071326	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1042287"	98.028626	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"210189"	130.369076	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"648655"	195.049976	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1170061"	65.688176	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"435157"	406.119223	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"796517"	600.161923	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1693943"	212.076523	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"336754"	203.5632495	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"732092"	300.5845995	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1481907"	106.5418995	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"403498"	411.074618	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"761574"	605.117318	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1609676"	217.031918	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"322989"	206.040947	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"715412"	303.062297	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1464856"	109.019597	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1057010"	73.01549	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1261971"	227.076186	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"380544"	427.048558	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"739724"	621.091258	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1545790"	233.005858	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"305883"	214.027917	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"698668"	311.049267	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1452489"	117.006567	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"245463"	430.119226	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1218172"	236.076526	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1204242"	118.541901	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"198207"	433.05656	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"631214"	627.09926	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1133991"	239.01386	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"176187"	217.031918	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"614040"	314.053268	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1119981"	120.010568	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1405694"	80.342804	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1434528"	241.055446	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"224225"	222.06494	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1510466"	255.10749	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"420723"	225.018888	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"774062"	322.040238	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1670393"	127.997538	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"255821"	452.101168	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1228893"	258.058468	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1717420"	258.081993	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1183870"	87.670118	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1654125"	263.037388	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"163902"	465.00444	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"600911"	659.04714	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1086884"	270.96174	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"145890"	233.005858	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"585450"	330.027208	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1072152"	135.984508	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1104268"	272.976292	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1340653"	273.063907	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1008817"	277.103076	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1531682"	278.096708	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"991934"	139.055176	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1590448"	279.011328	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1420479"	309.042838	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1152957"	159.568451	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1706882"	326.069385	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1634634"	331.02478	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1573817"	346.99872	"C00618"	"3-Dehydro-L-gulonate"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"801749"	272.214	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M"	0
"974592"	253.19561	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-H2O-H"	-19.01839
"63320"	180.468724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M-3H"	-3.021828
"503447"	271.206724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M-3H"	-3.021828
"880316"	89.730724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-3H"	-3.021828
"806"	271.206724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M-2H"	-2.014552
"440725"	407.313724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M-2H"	-2.014552
"817352"	135.099724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-2H"	-2.014552
"78803"	543.420724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M-H"	-1.007276
"519295"	815.634724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M-H"	-1.007276
"896365"	271.206724	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-H"	-1.007276
"49901"	560.447271	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M-2H+NH4"	16.019271
"490556"	832.661271	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M-2H+NH4"	16.019271
"870543"	288.233271	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-2H+NH4"	16.019271
"31580"	565.402666	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M-2H+Na"	20.974666
"471758"	837.616666	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M-2H+Na"	20.974666
"848591"	293.188666	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-2H+Na"	20.974666
"1618850"	293.188666	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Na-2H"	20.974666
"95304"	289.195063	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M-H+Cl"	33.962126
"534296"	425.302063	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M-H+Cl"	33.962126
"927776"	153.088063	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-H+Cl"	33.962126
"268037"	579.397402	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+Cl"	34.969402
"660251"	851.611402	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+Cl"	34.969402
"1277239"	307.183402	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Cl"	34.969402
"17972"	581.376606	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M-2H+K"	36.948606
"462638"	853.590606	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M-2H+K"	36.948606
"837160"	309.162606	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-2H+K"	36.948606
"1560648"	309.162606	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+K-2H"	36.948606
"943142"	317.212194	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-H+HCOOH"	44.998194
"362737"	589.426201	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+HCOOH-H"	44.998201
"346977"	603.441851	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+Hac-H"	59.013851
"1495446"	331.227851	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Hac-H"	59.013851
"960434"	339.194151	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-H+NaCOOH"	66.980151
"110145"	307.183402	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+2Cl"	69.938804
"559848"	443.290402	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+2Cl"	69.938804
"1030833"	171.076402	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2Cl"	69.938804
"1247133"	351.132885	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Br"	78.918885
"1311767"	353.188872	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Cl+HCOOH"	80.974872
"1324524"	375.170829	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Cl+NaCOOH"	102.956829
"918133"	385.199586	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M-H+CF3COOH"	112.985586
"1295937"	421.176264	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Cl+CF3COOH"	148.962264
"1375193"	237.201324	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H-2H2O"	-35.012676
"1395969"	255.2113	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H-H2O"	-17.0027
"290188"	545.435276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+H"	1.007276
"681518"	817.649276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+H"	1.007276
"1357868"	273.221276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H"	1.007276
"135494"	273.221276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+2H"	2.014552
"578337"	409.328276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+2H"	2.014552
"1042397"	137.114276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2H"	2.014552
"215766"	182.483276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+3H"	3.021828
"656423"	273.221276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+3H"	3.021828
"1171264"	91.745276	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+3H"	3.021828
"435267"	562.461823	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+NH4"	18.033823
"796991"	834.675823	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+NH4"	18.033823
"1694418"	290.247823	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+NH4"	18.033823
"337594"	281.7345495	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+H+NH4"	19.041099
"731838"	417.8415495	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+H+NH4"	19.041099
"1485295"	145.6275495	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H+NH4"	19.041099
"404703"	567.417218	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+Na"	22.989218
"768855"	839.631218	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+Na"	22.989218
"1609786"	295.203218	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Na"	22.989218
"324192"	284.212247	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+H+Na"	23.996494
"712238"	420.319247	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+H+Na"	23.996494
"1466061"	148.105247	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H+Na"	23.996494
"1059304"	99.07259	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2H+Na"	25.00377
"1265362"	305.247486	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+CH3OH+H"	33.033486
"381748"	583.391158	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+K"	38.963158
"740561"	855.605158	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+K"	38.963158
"1544806"	311.177158	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+K"	38.963158
"304170"	292.199217	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+H+K"	39.970434
"702792"	428.306217	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+H+K"	39.970434
"1451505"	156.092217	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H+K"	39.970434
"240109"	586.461826	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+ACN+H"	42.033826
"1219377"	314.247826	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+ACN+H"	42.033826
"1204354"	157.627551	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+ACN+2H"	43.041102
"199411"	589.39916	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+2Na-H"	44.97116
"628768"	861.61316	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+2Na-H"	44.97116
"1132643"	317.18516	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2Na-H"	44.97116
"173335"	295.203218	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+2Na"	45.978436
"614516"	431.310218	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+2Na"	45.978436
"1120092"	159.096218	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2Na"	45.978436
"1403618"	106.399904	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H+2Na"	46.985712
"1431359"	319.226746	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H+HCOOH"	47.012746
"223242"	300.23624	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+3H2O+2H"	56.04448
"1510212"	333.27879	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+IsoProp+H"	61.06479
"414272"	303.190188	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+Na+K"	61.952376
"775266"	439.297188	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+Na+K"	61.952376
"1672691"	167.083188	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Na+K"	61.952376
"253744"	608.443768	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+ACN+Na"	64.015768
"1226815"	336.229768	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+ACN+Na"	64.015768
"1717530"	336.253293	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+NH4+HCOOH"	64.039293
"1181064"	113.727218	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+3Na"	68.967654
"1653872"	341.208688	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Na+HCOOH"	68.994688
"163283"	621.34704	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+2K-H"	76.91904
"601386"	893.56104	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+2K-H"	76.91904
"1086629"	349.13304	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2K-H"	76.91904
"145999"	311.177158	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"2M+2K"	77.926316
"583738"	447.284158	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"3M+2K"	77.926316
"1070073"	175.070158	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2K"	77.926316
"1101095"	351.147592	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2K+H"	78.933592
"1337846"	351.235207	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+DMSO+H"	79.021207
"1007467"	355.274376	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2ACN+H"	83.060376
"1530698"	356.268008	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+IsoProp+Na+H"	84.054008
"992773"	178.140826	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+2ACN+2H"	84.067652
"1594931"	357.182628	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+K+HCOOH"	84.968628
"1417311"	387.214138	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+H+CF3COOH"	115.000138
"1149056"	198.654101	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+3ACN+2H"	125.094202
"1700432"	404.240685	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+NH4+CF3COOH"	132.026685
"1634992"	409.19608	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+Na+CF3COOH"	136.98208
"1573927"	425.17002	"C00619"	"3-Oxo-delta4-steroid"	"C19H28O"	"272.214"	"M+K+CF3COOH"	152.95602
"805386"	230.0192	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"975641"	211.00081	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"64245"	152.338857333333	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"503930"	229.011924	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"882341"	75.6657906666667	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"4196"	229.011924	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"440351"	344.021524	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"817666"	114.002324	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"81550"	459.031124	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"521111"	689.050324	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"897211"	229.011924	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"50011"	476.057671	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"495040"	706.076871	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"869561"	246.038471	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"37460"	481.013066	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"478113"	711.032266	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"851542"	250.993866	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1619978"	250.993866	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"95418"	247.000263	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"536074"	362.009863	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"929589"	131.990663	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"270334"	495.007802	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"660930"	725.027002	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1280627"	264.988602	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"24278"	496.987006	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"459467"	727.006206	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"835446"	266.967806	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1557841"	266.967806	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"944995"	275.017394	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"362846"	505.036601	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"347817"	519.052251	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1494830"	289.033051	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"960909"	296.999351	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"115293"	264.988602	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"561052"	379.998202	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1030943"	149.979002	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1251617"	308.938085	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1308597"	310.994072	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1328280"	332.976029	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"917150"	343.004786	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1299328"	378.981464	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1377490"	195.006524	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1396443"	213.0165	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"297713"	461.045676	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"684908"	691.064876	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1364540"	231.026476	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"138886"	231.026476	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"578447"	346.036076	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1046882"	116.016876	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"214783"	154.353409333333	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"657752"	231.026476	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1172467"	77.6803426666667	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"437565"	478.072223	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"798924"	708.091423	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1695257"	248.053023	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"341350"	239.5397495	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"734136"	354.5493495	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1486499"	124.5301495	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"398617"	483.027618	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"760706"	713.046818	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1614271"	253.008418	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"323211"	242.017447	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"710162"	357.027047	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1465077"	127.007847	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1055771"	85.0076566666667	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1265472"	263.052686	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"386234"	499.001558	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"741036"	729.020758	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1542001"	268.982358	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"303187"	250.004417	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"701077"	365.014017	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1449429"	134.994817	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"240219"	502.072226	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1219488"	272.053026	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1203370"	136.530151	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"198428"	505.00956	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"629044"	735.02876	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1133847"	274.99036	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"173729"	253.008418	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"613896"	368.018018	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1118015"	137.998818	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1403728"	92.3349706666667	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1431469"	277.031946	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"220433"	258.04144	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1510321"	291.08399	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"410128"	260.995388	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"776469"	376.004988	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1670614"	145.985788	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"252762"	524.054168	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1226561"	294.034968	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1713871"	294.058493	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1184090"	99.6622846666667	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1656169"	299.013888	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"161938"	536.95744	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"598943"	766.97664	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1088197"	306.93824	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"148295"	268.982358	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"585672"	383.991958	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1072372"	153.972758	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1105579"	308.952792	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1337589"	309.040407	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1008311"	313.079576	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1527528"	314.073208	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"997258"	157.043426	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1591761"	314.987828	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1419608"	345.019338	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1147465"	177.556701	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1698355"	362.045885	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1635102"	367.00128	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1575130"	382.97522	"C00620"	"alpha-D-Ribose 1-phosphate;Ribose 1-phosphate;D-Ribose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"809872"	172.0137	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M"	0
"974532"	152.99531	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H2O-H"	-19.01839
"63995"	113.668524	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-3H"	-3.021828
"502918"	171.006424	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-3H"	-3.021828
"884640"	56.330624	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-3H"	-3.021828
"3215"	171.006424	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H"	-2.014552
"441680"	257.013274	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H"	-2.014552
"818632"	84.999574	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H"	-2.014552
"82757"	343.020124	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-H"	-1.007276
"519882"	515.033824	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-H"	-1.007276
"897322"	171.006424	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H"	-1.007276
"50121"	360.046671	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+NH4"	16.019271
"491868"	532.060371	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+NH4"	16.019271
"874046"	188.032971	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+NH4"	16.019271
"40853"	365.002066	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+Na"	20.974666
"474945"	537.015766	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+Na"	20.974666
"854934"	192.988366	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+Na"	20.974666
"1620211"	192.988366	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na-2H"	20.974666
"95650"	188.994763	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-H+Cl"	33.962126
"535451"	275.001613	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-H+Cl"	33.962126
"927755"	102.987913	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+Cl"	33.962126
"268743"	378.996802	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Cl"	34.969402
"664324"	551.010502	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+Cl"	34.969402
"1281469"	206.983102	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl"	34.969402
"22933"	380.976006	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+K"	36.948606
"460671"	552.989706	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+K"	36.948606
"834098"	208.962306	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+K"	36.948606
"1557587"	208.962306	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K-2H"	36.948606
"947657"	217.011894	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+HCOOH"	44.998194
"366967"	389.025601	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+HCOOH-H"	44.998201
"349385"	403.041251	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Hac-H"	59.013851
"1497130"	231.027551	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Hac-H"	59.013851
"969413"	238.993851	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+NaCOOH"	66.980151
"120144"	206.983102	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Cl"	69.938804
"556058"	292.989952	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Cl"	69.938804
"1029232"	120.976252	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2Cl"	69.938804
"1247356"	250.932585	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Br"	78.918885
"1307248"	252.988572	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+HCOOH"	80.974872
"1325109"	274.970529	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+NaCOOH"	102.956829
"917261"	284.999286	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M-H+CF3COOH"	112.985586
"1300530"	320.975964	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+CF3COOH"	148.962264
"1378328"	137.001024	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H-2H2O"	-35.012676
"1393635"	155.011	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H-H2O"	-17.0027
"291137"	345.034676	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H"	1.007276
"687933"	517.048376	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H"	1.007276
"1363192"	173.020976	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H"	1.007276
"138633"	173.020976	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2H"	2.014552
"577463"	259.027826	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2H"	2.014552
"1046992"	87.014126	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2H"	2.014552
"214529"	115.683076	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+3H"	3.021828
"659075"	173.020976	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+3H"	3.021828
"1170392"	58.345176	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+3H"	3.021828
"434758"	362.061223	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+NH4"	18.033823
"796845"	534.074923	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+NH4"	18.033823
"1692086"	190.047523	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4"	18.033823
"344740"	181.5342495	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+NH4"	19.041099
"731693"	267.5410995	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+NH4"	19.041099
"1490980"	95.5273995	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+NH4"	19.041099
"403100"	367.016618	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Na"	22.989218
"760816"	539.030318	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+Na"	22.989218
"1612190"	195.002918	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na"	22.989218
"321133"	184.011947	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+Na"	23.996494
"711368"	270.018797	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+Na"	23.996494
"1466282"	98.005097	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+Na"	23.996494
"1056974"	65.67249	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2H+Na"	25.00377
"1259382"	205.047186	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+CH3OH+H"	33.033486
"383061"	382.990558	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+K"	38.963158
"744061"	555.004258	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+K"	38.963158
"1552684"	210.976858	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K"	38.963158
"301475"	191.998917	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+K"	39.970434
"693531"	278.005767	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+K"	39.970434
"1450632"	105.992067	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+K"	39.970434
"243610"	386.061226	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+ACN+H"	42.033826
"1215225"	214.047526	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+H"	42.033826
"1204575"	107.527401	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+2H"	43.041102
"198538"	388.99856	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Na-H"	44.97116
"631544"	561.01226	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Na-H"	44.97116
"1133959"	216.98486	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2Na-H"	44.97116
"175061"	195.002918	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Na"	45.978436
"616806"	281.009768	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Na"	45.978436
"1119217"	108.996068	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2Na"	45.978436
"1402745"	72.999804	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+2Na"	46.985712
"1433764"	219.026446	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+HCOOH"	47.012746
"221635"	200.03594	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+3H2O+2H"	56.04448
"1512614"	233.07849	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+IsoProp+H"	61.06479
"410118"	202.989888	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+Na+K"	61.952376
"774394"	288.996738	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+Na+K"	61.952376
"1669991"	116.983038	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+K"	61.952376
"252261"	408.043168	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+ACN+Na"	64.015768
"1228130"	236.029468	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+Na"	64.015768
"1713860"	236.052993	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4+HCOOH"	64.039293
"1180920"	80.327118	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+3Na"	68.967654
"1655188"	241.008388	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+HCOOH"	68.994688
"159132"	420.94644	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2K-H"	76.91904
"598332"	592.96014	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2K-H"	76.91904
"1086489"	248.93274	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2K-H"	76.91904
"148409"	210.976858	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"2M+2K"	77.926316
"585783"	296.983708	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"3M+2K"	77.926316
"1070291"	124.970008	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2K"	77.926316
"1101682"	250.947292	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2K+H"	78.933592
"1338430"	251.034907	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+DMSO+H"	79.021207
"1007084"	255.074076	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2ACN+H"	83.060376
"1525572"	256.067708	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+IsoProp+Na+H"	84.054008
"991657"	128.040676	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+2ACN+2H"	84.067652
"1588591"	256.982328	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K+HCOOH"	84.968628
"1414616"	287.013838	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+H+CF3COOH"	115.000138
"1147210"	148.553951	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+3ACN+2H"	125.094202
"1697056"	304.040385	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4+CF3COOH"	132.026685
"1635212"	308.99578	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+CF3COOH"	136.98208
"1575240"	324.96972	"C00623"	"sn-Glycerol 1-phosphate;sn-Gro-1-P;L-Glycerol 1-phosphate"	"C3H9O6P"	"172.0137"	"M+K+CF3COOH"	152.95602
"812172"	189.0637	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M"	0
"975249"	170.04531	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-H2O-H"	-19.01839
"63737"	125.035190666667	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M-3H"	-3.021828
"504391"	188.056424	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M-3H"	-3.021828
"884750"	62.0139573333333	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-3H"	-3.021828
"2232"	188.056424	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M-2H"	-2.014552
"443976"	282.588274	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M-2H"	-2.014552
"822872"	93.524574	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-2H"	-2.014552
"83960"	377.120124	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M-H"	-1.007276
"522423"	566.183824	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M-H"	-1.007276
"898041"	188.056424	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-H"	-1.007276
"50231"	394.146671	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M-2H+NH4"	16.019271
"489791"	583.210371	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M-2H+NH4"	16.019271
"870875"	205.082971	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-2H+NH4"	16.019271
"43150"	399.102066	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M-2H+Na"	20.974666
"474205"	588.165766	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M-2H+Na"	20.974666
"852859"	210.038366	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-2H+Na"	20.974666
"1622390"	210.038366	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Na-2H"	20.974666
"96732"	206.044763	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M-H+Cl"	33.962126
"536048"	300.576613	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M-H+Cl"	33.962126
"927862"	111.512913	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-H+Cl"	33.962126
"269217"	413.096802	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+Cl"	34.969402
"665163"	602.160502	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+Cl"	34.969402
"1280849"	224.033102	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Cl"	34.969402
"20125"	415.076006	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M-2H+K"	36.948606
"461874"	604.139706	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M-2H+K"	36.948606
"837126"	226.012306	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-2H+K"	36.948606
"1559520"	226.012306	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+K-2H"	36.948606
"951049"	234.061894	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-H+HCOOH"	44.998194
"370357"	423.125601	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+HCOOH-H"	44.998201
"349865"	437.141251	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+Hac-H"	59.013851
"1502710"	248.077551	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Hac-H"	59.013851
"968430"	256.043851	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-H+NaCOOH"	66.980151
"117338"	224.033102	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+2Cl"	69.938804
"555804"	318.564952	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+2Cl"	69.938804
"1031168"	129.501252	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2Cl"	69.938804
"1252933"	267.982585	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Br"	78.918885
"1307356"	270.038572	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Cl+HCOOH"	80.974872
"1325583"	292.020529	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Cl+NaCOOH"	102.956829
"920651"	302.049286	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M-H+CF3COOH"	112.985586
"1300640"	338.025964	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Cl+CF3COOH"	148.962264
"1379896"	154.051024	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H-2H2O"	-35.012676
"1394109"	172.061	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H-H2O"	-17.0027
"294527"	379.134676	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+H"	1.007276
"689502"	568.198376	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+H"	1.007276
"1364760"	190.070976	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H"	1.007276
"139472"	190.070976	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+2H"	2.014552
"577573"	284.602826	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+2H"	2.014552
"1048195"	95.539126	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2H"	2.014552
"215733"	127.049742666667	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+3H"	3.021828
"659185"	190.070976	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+3H"	3.021828
"1171595"	64.0285093333333	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+3H"	3.021828
"436326"	396.161223	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+NH4"	18.033823
"795498"	585.224923	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+NH4"	18.033823
"1692926"	207.097523	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+NH4"	18.033823
"343393"	198.5842495	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+H+NH4"	19.041099
"731803"	293.1160995	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+H+NH4"	19.041099
"1487811"	104.0523995	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H+NH4"	19.041099
"402117"	401.116618	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+Na"	22.989218
"762019"	590.180318	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+Na"	22.989218
"1612300"	212.052918	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Na"	22.989218
"316872"	201.061947	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+H+Na"	23.996494
"711479"	295.593797	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+H+Na"	23.996494
"1467486"	106.530097	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H+Na"	23.996494
"1055992"	71.3558233333333	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2H+Na"	25.00377
"1259130"	222.097186	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+CH3OH+H"	33.033486
"382079"	417.090558	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+K"	38.963158
"744171"	606.154258	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+K"	38.963158
"1544046"	228.026858	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+K"	38.963158
"302313"	209.048917	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+H+K"	39.970434
"692548"	303.580767	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+H+K"	39.970434
"1452930"	114.517067	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H+K"	39.970434
"244813"	420.161226	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+ACN+H"	42.033826
"1219710"	231.097526	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+ACN+H"	42.033826
"1204684"	116.052401	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+ACN+2H"	43.041102
"195368"	423.09856	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+2Na-H"	44.97116
"632021"	612.16226	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+2Na-H"	44.97116
"1140632"	234.03486	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2Na-H"	44.97116
"180639"	212.052918	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+2Na"	45.978436
"621291"	306.584768	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+2Na"	45.978436
"1122609"	117.521068	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2Na"	45.978436
"1408320"	78.6831373333333	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H+2Na"	46.985712
"1437159"	236.076446	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H+HCOOH"	47.012746
"225757"	217.08594	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+3H2O+2H"	56.04448
"1512728"	250.12849	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+IsoProp+H"	61.06479
"413506"	220.039888	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+Na+K"	61.952376
"776690"	314.571738	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+Na+K"	61.952376
"1672289"	125.508038	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Na+K"	61.952376
"252984"	442.143168	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+ACN+Na"	64.015768
"1228607"	253.079468	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+ACN+Na"	64.015768
"1715308"	253.102993	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+NH4+HCOOH"	64.039293
"1183219"	86.0104513333333	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+3Na"	68.967654
"1654205"	258.058388	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Na+HCOOH"	68.994688
"160698"	455.04644	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+2K-H"	76.91904
"601721"	644.11014	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+2K-H"	76.91904
"1086234"	265.98274	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2K-H"	76.91904
"148519"	228.026858	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"2M+2K"	77.926316
"585893"	322.558708	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"3M+2K"	77.926316
"1072956"	133.495008	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2K"	77.926316
"1107989"	267.997292	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2K+H"	78.933592
"1344373"	268.084907	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+DMSO+H"	79.021207
"1006951"	272.124076	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2ACN+H"	83.060376
"1526048"	273.117708	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+IsoProp+Na+H"	84.054008
"991040"	136.565676	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+2ACN+2H"	84.067652
"1589066"	274.032328	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+K+HCOOH"	84.968628
"1414727"	304.063838	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+H+CF3COOH"	115.000138
"1147685"	157.078951	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+3ACN+2H"	125.094202
"1697356"	321.090385	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+NH4+CF3COOH"	132.026685
"1636415"	326.04578	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+Na+CF3COOH"	136.98208
"1572070"	342.01972	"C00624"	"N-Acetyl-L-glutamate;N-Acetyl-L-glutamic acid"	"C7H11NO5"	"189.0637"	"M+K+CF3COOH"	152.95602
"805718"	249.0402	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M"	0
"975486"	230.02181	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-H2O-H"	-19.01839
"65306"	165.019524	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M-3H"	-3.021828
"507053"	248.032924	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M-3H"	-3.021828
"884861"	82.006124	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-3H"	-3.021828
"2342"	248.032924	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M-2H"	-2.014552
"444449"	372.553024	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M-2H"	-2.014552
"820798"	123.512824	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-2H"	-2.014552
"86257"	497.073124	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M-H"	-1.007276
"522536"	746.113324	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M-H"	-1.007276
"900337"	248.032924	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-H"	-1.007276
"52527"	514.099671	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M-2H+NH4"	16.019271
"495369"	763.139871	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M-2H+NH4"	16.019271
"872078"	265.059471	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-2H+NH4"	16.019271
"43260"	519.055066	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M-2H+Na"	20.974666
"477353"	768.095266	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M-2H+Na"	20.974666
"858435"	270.014866	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-2H+Na"	20.974666
"1621405"	270.014866	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Na-2H"	20.974666
"95383"	266.021263	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M-H+Cl"	33.962126
"534700"	390.541363	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M-H+Cl"	33.962126
"928581"	141.501163	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-H+Cl"	33.962126
"272852"	533.049802	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+Cl"	34.969402
"667459"	782.090002	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+Cl"	34.969402
"1284605"	284.009602	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Cl"	34.969402
"23517"	535.029006	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M-2H+K"	36.948606
"465265"	784.069206	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M-2H+K"	36.948606
"837235"	285.988806	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-2H+K"	36.948606
"1559266"	285.988806	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+K-2H"	36.948606
"947876"	294.038394	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-H+HCOOH"	44.998194
"370466"	543.078601	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+HCOOH-H"	44.998201
"352164"	557.094251	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+Hac-H"	59.013851
"1504278"	308.054051	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Hac-H"	59.013851
"969633"	316.020351	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-H+NaCOOH"	66.980151
"120366"	284.009602	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+2Cl"	69.938804
"560290"	408.529702	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+2Cl"	69.938804
"1032370"	159.489502	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2Cl"	69.938804
"1251947"	327.959085	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Br"	78.918885
"1310020"	330.015072	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Cl+HCOOH"	80.974872
"1328610"	351.997029	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Cl+NaCOOH"	102.956829
"917479"	362.025786	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M-H+CF3COOH"	112.985586
"1299291"	398.002464	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Cl+CF3COOH"	148.962264
"1377817"	214.027524	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H-2H2O"	-35.012676
"1390940"	232.0375	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H-H2O"	-17.0027
"292815"	499.087676	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+H"	1.007276
"685238"	748.127876	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+H"	1.007276
"1366329"	250.047476	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H"	1.007276
"135933"	250.047476	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+2H"	2.014552
"571849"	374.567576	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+2H"	2.014552
"1047212"	125.527376	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2H"	2.014552
"216207"	167.034076	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+3H"	3.021828
"649205"	250.047476	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+3H"	3.021828
"1172798"	84.020676	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+3H"	3.021828
"435707"	516.114223	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+NH4"	18.033823
"796338"	765.154423	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+NH4"	18.033823
"1690121"	267.074023	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+NH4"	18.033823
"340586"	258.5607495	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+H+NH4"	19.041099
"730823"	383.0808495	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+H+NH4"	19.041099
"1486828"	134.0406495	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H+NH4"	19.041099
"401133"	521.069618	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+Na"	22.989218
"762125"	770.109818	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+Na"	22.989218
"1610222"	272.029418	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Na"	22.989218
"319167"	261.038447	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+H+Na"	23.996494
"711589"	385.558547	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+H+Na"	23.996494
"1465408"	136.518347	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H+Na"	23.996494
"1054644"	91.34799	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2H+Na"	25.00377
"1257661"	282.073686	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+CH3OH+H"	33.033486
"380002"	537.043558	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+K"	38.963158
"741364"	786.083758	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+K"	38.963158
"1549624"	288.003358	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+K"	38.963158
"302424"	269.025417	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+H+K"	39.970434
"694115"	393.545517	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+H+K"	39.970434
"1457415"	144.505317	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H+K"	39.970434
"246016"	540.114226	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+ACN+H"	42.033826
"1222006"	291.074026	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+ACN+H"	42.033826
"1198235"	146.040651	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+ACN+2H"	43.041102
"191108"	543.05156	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+2Na-H"	44.97116
"631769"	792.09176	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+2Na-H"	44.97116
"1141837"	294.01136	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2Na-H"	44.97116
"179658"	272.029418	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+2Na"	45.978436
"624683"	396.549518	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+2Na"	45.978436
"1126001"	147.509318	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2Na"	45.978436
"1410981"	98.675304	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H+2Na"	46.985712
"1436177"	296.052946	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H+HCOOH"	47.012746
"225868"	277.06244	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+3H2O+2H"	56.04448
"1515024"	310.10499	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+IsoProp+H"	61.06479
"413616"	280.016388	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+Na+K"	61.952376
"773518"	404.536488	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+Na+K"	61.952376
"1669851"	155.496288	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Na+K"	61.952376
"256376"	562.096168	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+ACN+Na"	64.015768
"1227621"	313.055968	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+ACN+Na"	64.015768
"1714692"	313.079493	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+NH4+HCOOH"	64.039293
"1179076"	106.002618	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+3Na"	68.967654
"1652128"	318.034888	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Na+HCOOH"	68.994688
"158260"	574.99944	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+2K-H"	76.91904
"600739"	824.03964	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+2K-H"	76.91904
"1089626"	325.95924	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2K-H"	76.91904
"146441"	288.003358	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"2M+2K"	77.926316
"586003"	412.523458	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"3M+2K"	77.926316
"1071607"	163.483258	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2K"	77.926316
"1108099"	327.973792	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2K+H"	78.933592
"1342296"	328.061407	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+DMSO+H"	79.021207
"1006698"	332.100576	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2ACN+H"	83.060376
"1528955"	333.094208	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+IsoProp+Na+H"	84.054008
"993216"	166.553926	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+2ACN+2H"	84.067652
"1590269"	334.008828	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+K+HCOOH"	84.968628
"1417753"	364.040338	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+H+CF3COOH"	115.000138
"1151324"	187.067201	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+3ACN+2H"	125.094202
"1697307"	381.066885	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+NH4+CF3COOH"	132.026685
"1637621"	386.02228	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+Na+CF3COOH"	136.98208
"1579837"	401.99622	"C00627"	"Pyridoxine phosphate;Pyridoxine 5-phosphate;Pyridoxine 5-phosphate;Pyridoxol 5-phosphate"	"C8H12NO6P"	"249.0402"	"M+K+CF3COOH"	152.95602
"801819"	154.0266	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M"	0
"976080"	135.00821	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-H2O-H"	-19.01839
"64685"	101.677124	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M-3H"	-3.021828
"505340"	153.019324	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M-3H"	-3.021828
"883876"	50.334924	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-3H"	-3.021828
"2451"	153.019324	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M-2H"	-2.014552
"444194"	230.032624	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M-2H"	-2.014552
"820908"	76.006024	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-2H"	-2.014552
"84180"	307.045924	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M-H"	-1.007276
"525921"	461.072524	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M-H"	-1.007276
"897168"	153.019324	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-H"	-1.007276
"50811"	324.072471	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M-2H+NH4"	16.019271
"495479"	478.099071	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M-2H+NH4"	16.019271
"870001"	170.045871	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-2H+NH4"	16.019271
"44464"	329.027866	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M-2H+Na"	20.974666
"477463"	483.054466	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M-2H+Na"	20.974666
"858545"	175.001266	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-2H+Na"	20.974666
"1621149"	175.001266	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Na-2H"	20.974666
"95857"	171.007663	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M-H+Cl"	33.962126
"534447"	248.020963	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M-H+Cl"	33.962126
"928570"	93.994363	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-H+Cl"	33.962126
"274055"	343.022602	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+Cl"	34.969402
"664653"	497.049202	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+Cl"	34.969402
"1278517"	188.996002	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Cl"	34.969402
"26179"	345.001806	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M-2H+K"	36.948606
"459904"	499.028406	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M-2H+K"	36.948606
"838071"	190.975206	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-2H+K"	36.948606
"1560468"	190.975206	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+K-2H"	36.948606
"946523"	199.024794	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-H+HCOOH"	44.998194
"363283"	353.051401	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+HCOOH-H"	44.998201
"352274"	367.067051	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+Hac-H"	59.013851
"1502200"	213.040451	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Hac-H"	59.013851
"965369"	221.006751	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-H+NaCOOH"	66.980151
"123027"	188.996002	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+2Cl"	69.938804
"561492"	266.009302	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+2Cl"	69.938804
"1033209"	111.982702	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2Cl"	69.938804
"1250963"	232.945485	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Br"	78.918885
"1309401"	235.001472	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Cl+HCOOH"	80.974872
"1328719"	256.983429	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Cl+NaCOOH"	102.956829
"915767"	267.012186	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M-H+CF3COOH"	112.985586
"1298673"	302.988864	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Cl+CF3COOH"	148.962264
"1373552"	119.013924	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H-2H2O"	-35.012676
"1391050"	137.0239	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H-H2O"	-17.0027
"294383"	309.060476	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+H"	1.007276
"685349"	463.087076	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+H"	1.007276
"1364981"	155.033876	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H"	1.007276
"136408"	155.033876	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+2H"	2.014552
"578886"	232.047176	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+2H"	2.014552
"1048416"	78.020576	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2H"	2.014552
"217411"	103.691676	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+3H"	3.021828
"658798"	155.033876	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+3H"	3.021828
"1175825"	52.349476	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+3H"	3.021828
"438369"	326.087023	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+NH4"	18.033823
"797178"	480.113623	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+NH4"	18.033823
"1692418"	172.060423	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+NH4"	18.033823
"338511"	163.5471495	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+H+NH4"	19.041099
"732025"	240.5604495	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+H+NH4"	19.041099
"1482563"	86.5338495	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H+NH4"	19.041099
"399056"	331.042418	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+Na"	22.989218
"764421"	485.069018	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+Na"	22.989218
"1612519"	177.015818	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Na"	22.989218
"321464"	166.024847	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+H+Na"	23.996494
"712793"	243.038147	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+H+Na"	23.996494
"1465518"	89.011547	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H+Na"	23.996494
"1055848"	59.67679	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2H+Na"	25.00377
"1257771"	187.060086	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+CH3OH+H"	33.033486
"381205"	347.016358	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+K"	38.963158
"739651"	501.042958	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+K"	38.963158
"1544265"	192.989758	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+K"	38.963158
"301439"	174.011817	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+H+K"	39.970434
"692766"	251.025117	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+H+K"	39.970434
"1454244"	96.998517	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H+K"	39.970434
"246126"	350.087026	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+ACN+H"	42.033826
"1221021"	196.060426	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+ACN+H"	42.033826
"1196158"	98.533851	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+ACN+2H"	43.041102
"192311"	353.02436	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+2Na-H"	44.97116
"639166"	507.05096	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+2Na-H"	44.97116
"1141947"	198.99776	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2Na-H"	44.97116
"185963"	177.015818	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+2Na"	45.978436
"627345"	254.029118	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+2Na"	45.978436
"1129026"	100.002518	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2Na"	45.978436
"1410362"	67.004104	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H+2Na"	46.985712
"1438473"	201.039346	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H+HCOOH"	47.012746
"225978"	182.04884	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+3H2O+2H"	56.04448
"1515134"	215.09139	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+IsoProp+H"	61.06479
"412632"	185.002788	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+Na+K"	61.952376
"775815"	262.016088	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+Na+K"	61.952376
"1673240"	107.989488	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Na+K"	61.952376
"256486"	372.068968	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+ACN+Na"	64.015768
"1228825"	218.042368	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+ACN+Na"	64.015768
"1714802"	218.065893	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+NH4+HCOOH"	64.039293
"1181252"	74.331418	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+3Na"	68.967654
"1650777"	223.021288	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Na+HCOOH"	68.994688
"159220"	384.97224	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+2K-H"	76.91904
"603034"	538.99884	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+2K-H"	76.91904
"1089733"	230.94564	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2K-H"	76.91904
"147644"	192.989758	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"2M+2K"	77.926316
"587205"	270.003058	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"3M+2K"	77.926316
"1072810"	115.976458	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2K"	77.926316
"1106022"	232.960192	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2K+H"	78.933592
"1341312"	233.047807	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+DMSO+H"	79.021207
"1007780"	237.086976	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2ACN+H"	83.060376
"1527970"	238.080608	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+IsoProp+Na+H"	84.054008
"994419"	119.047126	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+2ACN+2H"	84.067652
"1591108"	238.995228	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+K+HCOOH"	84.968628
"1416769"	269.026738	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+H+CF3COOH"	115.000138
"1151434"	139.560401	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+3ACN+2H"	125.094202
"1697703"	286.053285	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+NH4+CF3COOH"	132.026685
"1637731"	291.00868	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+Na+CF3COOH"	136.98208
"1579947"	306.98262	"C00628"	"25-Dihydroxybenzoate;25-Dihydroxybenzoic acid;Gentisic acid;Hydroquinonecarboxylic acid;Gentisate"	"C7H6O4"	"154.0266"	"M+K+CF3COOH"	152.95602
"803752"	837.1571	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M"	0
"975098"	818.13871	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H2O-H"	-19.01839
"65524"	557.097457333333	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-3H"	-3.021828
"504720"	836.149824	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-3H"	-3.021828
"881799"	278.045090666667	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-3H"	-3.021828
"1832"	836.149824	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H"	-2.014552
"442482"	1254.728374	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H"	-2.014552
"818831"	417.571274	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H"	-2.014552
"79426"	1673.306924	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-H"	-1.007276
"523845"	2510.464024	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-H"	-1.007276
"896668"	836.149824	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H"	-1.007276
"49460"	1690.333471	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H+NH4"	16.019271
"487171"	2527.490571	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H+NH4"	16.019271
"864510"	853.176371	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H+NH4"	16.019271
"36918"	1695.288866	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H+Na"	20.974666
"478667"	2532.445966	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H+Na"	20.974666
"849907"	858.131766	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H+Na"	20.974666
"1618623"	858.131766	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na-2H"	20.974666
"94544"	854.138163	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-H+Cl"	33.962126
"534922"	1272.716713	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-H+Cl"	33.962126
"927094"	435.559613	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+Cl"	33.962126
"272343"	1709.283602	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Cl"	34.969402
"664034"	2546.440702	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+Cl"	34.969402
"1278263"	872.126502	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl"	34.969402
"24830"	1711.262806	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M-2H+K"	36.948606
"461108"	2548.419906	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M-2H+K"	36.948606
"838180"	874.105706	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-2H+K"	36.948606
"1560941"	874.105706	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K-2H"	36.948606
"943352"	882.155294	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+HCOOH"	44.998194
"362664"	1719.312401	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+HCOOH-H"	44.998201
"348372"	1733.328051	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Hac-H"	59.013851
"1495382"	896.170951	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Hac-H"	59.013851
"960008"	904.137251	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+NaCOOH"	66.980151
"120584"	872.126502	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2Cl"	69.938804
"560509"	1290.705052	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2Cl"	69.938804
"1030404"	453.547952	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2Cl"	69.938804
"1251076"	916.075985	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Br"	78.918885
"1314616"	918.131972	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl+HCOOH"	80.974872
"1328831"	940.113929	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl+NaCOOH"	102.956829
"918796"	950.142686	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M-H+CF3COOH"	112.985586
"1300970"	986.119364	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Cl+CF3COOH"	148.962264
"1379498"	802.144424	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H-2H2O"	-35.012676
"1391161"	820.1544	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H-H2O"	-17.0027
"291943"	1675.321476	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H"	1.007276
"689471"	2512.478576	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H"	1.007276
"1363998"	838.164376	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H"	1.007276
"136519"	838.164376	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2H"	2.014552
"575353"	1256.742926	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2H"	2.014552
"1049622"	419.585826	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2H"	2.014552
"216430"	559.112009333333	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+3H"	3.021828
"653804"	838.164376	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+3H"	3.021828
"1171930"	280.059642666667	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+3H"	3.021828
"436292"	1692.348023	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+NH4"	18.033823
"796194"	2529.505123	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+NH4"	18.033823
"1689246"	855.190923	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+NH4"	18.033823
"330477"	846.6776495	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H+NH4"	19.041099
"729948"	1265.2561995	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H+NH4"	19.041099
"1482676"	428.0990995	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+NH4"	19.041099
"401354"	1697.303418	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Na"	22.989218
"760158"	2534.460518	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+Na"	22.989218
"1608258"	860.146318	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na"	22.989218
"319389"	849.155347	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H+Na"	23.996494
"711808"	1267.733897	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H+Na"	23.996494
"1464902"	430.576797	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+Na"	23.996494
"1054501"	287.386956666667	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2H+Na"	25.00377
"1259461"	870.190586	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+CH3OH+H"	33.033486
"383505"	1713.277358	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+K"	38.963158
"741219"	2550.434458	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+K"	38.963158
"1542189"	876.120258	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K"	38.963158
"300453"	857.142317	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+H+K"	39.970434
"692876"	1275.720867	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+H+K"	39.970434
"1453261"	438.563767	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+K"	39.970434
"241862"	1716.348026	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+ACN+H"	42.033826
"1217852"	879.190926	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+ACN+H"	42.033826
"1198455"	440.099101	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+ACN+2H"	43.041102
"190230"	1719.28536	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2Na-H"	44.97116
"637453"	2556.44246	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2Na-H"	44.97116
"1140599"	882.12826	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2Na-H"	44.97116
"185707"	860.146318	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2Na"	45.978436
"621621"	1278.724868	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2Na"	45.978436
"1125855"	441.567768	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2Na"	45.978436
"1409743"	294.714270666667	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+2Na"	46.985712
"1438580"	884.169846	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+HCOOH"	47.012746
"228274"	865.17934	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+3H2O+2H"	56.04448
"1515244"	898.22189	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+IsoProp+H"	61.06479
"411648"	868.133288	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+Na+K"	61.952376
"771671"	1286.711838	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+Na+K"	61.952376
"1670068"	449.554738	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na+K"	61.952376
"256587"	1738.329968	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+ACN+Na"	64.015768
"1231483"	901.172868	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+ACN+Na"	64.015768
"1713815"	901.196393	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+NH4+HCOOH"	64.039293
"1179535"	302.041584666667	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+3Na"	68.967654
"1652704"	906.151788	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na+HCOOH"	68.994688
"158112"	1751.23324	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2K-H"	76.91904
"597797"	2588.39034	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2K-H"	76.91904
"1084736"	914.07614	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2K-H"	76.91904
"143378"	876.120258	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"2M+2K"	77.926316
"586221"	1294.698808	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"3M+2K"	77.926316
"1071827"	457.541708	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2K"	77.926316
"1105037"	916.090692	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2K+H"	78.933592
"1339234"	916.178307	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+DMSO+H"	79.021207
"1008862"	920.217476	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2ACN+H"	83.060376
"1525285"	921.211108	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+IsoProp+Na+H"	84.054008
"990882"	460.612376	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+2ACN+2H"	84.067652
"1589031"	922.125728	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K+HCOOH"	84.968628
"1415784"	952.157238	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+H+CF3COOH"	115.000138
"1147654"	481.125651	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+3ACN+2H"	125.094202
"1697449"	969.183785	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+NH4+CF3COOH"	132.026685
"1637841"	974.13918	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+Na+CF3COOH"	136.98208
"1580057"	990.11312	"C00630"	"2-Methylpropanoyl-CoA;2-Methylpropionyl-CoA;Isobutyryl-CoA"	"C25H42N7O17P3S"	"837.1571"	"M+K+CF3COOH"	152.95602
"807146"	185.9929	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M"	0
"978491"	166.97451	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-H2O-H"	-19.01839
"65271"	122.987990666667	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M-3H"	-3.021828
"505198"	184.985624	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M-3H"	-3.021828
"881912"	60.9903573333333	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-3H"	-3.021828
"2302"	184.985624	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M-2H"	-2.014552
"449888"	277.982074	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M-2H"	-2.014552
"826597"	91.989174	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-2H"	-2.014552
"82212"	370.978524	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M-H"	-1.007276
"522868"	556.971424	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M-H"	-1.007276
"902855"	184.985624	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-H"	-1.007276
"48600"	388.005071	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M-2H+NH4"	16.019271
"487836"	573.997971	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M-2H+NH4"	16.019271
"866942"	202.012171	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-2H+NH4"	16.019271
"40311"	392.960466	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M-2H+Na"	20.974666
"472699"	578.953366	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M-2H+Na"	20.974666
"852204"	206.967566	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-2H+Na"	20.974666
"1622833"	206.967566	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Na-2H"	20.974666
"96083"	202.973963	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M-H+Cl"	33.962126
"534705"	295.970413	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M-H+Cl"	33.962126
"931709"	109.977513	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-H+Cl"	33.962126
"271359"	406.955202	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+Cl"	34.969402
"668885"	592.948102	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+Cl"	34.969402
"1279101"	220.962302	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Cl"	34.969402
"21659"	408.934406	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M-2H+K"	36.948606
"456476"	594.927306	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M-2H+K"	36.948606
"836103"	222.941506	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-2H+K"	36.948606
"1561051"	222.941506	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+K-2H"	36.948606
"947112"	230.991094	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-H+HCOOH"	44.998194
"362413"	416.984001	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+HCOOH-H"	44.998201
"349576"	430.999651	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+Hac-H"	59.013851
"1495495"	245.006751	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Hac-H"	59.013851
"966685"	252.973051	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-H+NaCOOH"	66.980151
"117781"	220.962302	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+2Cl"	69.938804
"558434"	313.958752	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+2Cl"	69.938804
"1029421"	127.965852	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2Cl"	69.938804
"1248998"	264.911785	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Br"	78.918885
"1310349"	266.967772	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Cl+HCOOH"	80.974872
"1327848"	288.949729	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Cl+NaCOOH"	102.956829
"918906"	298.978486	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M-H+CF3COOH"	112.985586
"1291239"	334.955164	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Cl+CF3COOH"	148.962264
"1374870"	150.980224	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H-2H2O"	-35.012676
"1391271"	168.9902	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H-H2O"	-17.0027
"292054"	372.993076	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+H"	1.007276
"688850"	558.985976	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+H"	1.007276
"1364107"	187.000176	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H"	1.007276
"132622"	187.000176	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+2H"	2.014552
"576556"	279.996626	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+2H"	2.014552
"1047545"	94.003726	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2H"	2.014552
"217632"	125.002542666667	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+3H"	3.021828
"659014"	187.000176	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+3H"	3.021828
"1172035"	63.0049093333333	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+3H"	3.021828
"433123"	390.019623	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+NH4"	18.033823
"791931"	576.012523	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+NH4"	18.033823
"1689353"	204.026723	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+NH4"	18.033823
"340913"	195.5134495	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+H+NH4"	19.041099
"728960"	288.5098995	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+H+NH4"	19.041099
"1481691"	102.5169995	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H+NH4"	19.041099
"400369"	394.975018	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+Na"	22.989218
"756991"	580.967918	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+Na"	22.989218
"1608368"	208.982118	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Na"	22.989218
"315244"	197.991147	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+H+Na"	23.996494
"710824"	290.987597	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+H+Na"	23.996494
"1463922"	104.994697	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H+Na"	23.996494
"1052909"	70.3322233333333	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2H+Na"	25.00377
"1259571"	219.026386	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+CH3OH+H"	33.033486
"380337"	410.948958	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+K"	38.963158
"744615"	596.941858	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+K"	38.963158
"1544487"	224.956058	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+K"	38.963158
"303853"	205.978117	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+H+K"	39.970434
"692382"	298.974567	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+H+K"	39.970434
"1450093"	112.981667	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H+K"	39.970434
"239786"	414.019626	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+ACN+H"	42.033826
"1214682"	228.026726	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+ACN+H"	42.033826
"1195404"	114.517001	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+ACN+2H"	43.041102
"199094"	416.95696	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+2Na-H"	44.97116
"640849"	602.94986	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+2Na-H"	44.97116
"1141073"	230.96406	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2Na-H"	44.97116
"183995"	208.982118	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+2Na"	45.978436
"619550"	301.978568	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+2Na"	45.978436
"1125241"	115.985668	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2Na"	45.978436
"1407669"	77.6595373333333	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H+2Na"	46.985712
"1441605"	233.005646	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H+HCOOH"	47.012746
"229478"	214.01514	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+3H2O+2H"	56.04448
"1510980"	247.05769	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+IsoProp+H"	61.06479
"411759"	216.969088	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+Na+K"	61.952376
"772754"	309.965538	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+Na+K"	61.952376
"1669085"	123.972638	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Na+K"	61.952376
"254518"	436.001568	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+ACN+Na"	64.015768
"1228317"	250.008668	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+ACN+Na"	64.015768
"1717210"	250.032193	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+NH4+HCOOH"	64.039293
"1183657"	84.9868513333333	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+3Na"	68.967654
"1651363"	254.987588	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Na+HCOOH"	68.994688
"158222"	448.90484	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+2K-H"	76.91904
"601068"	634.89774	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+2K-H"	76.91904
"1086672"	262.91194	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2K-H"	76.91904
"151145"	224.956058	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"2M+2K"	77.926316
"589613"	317.952508	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"3M+2K"	77.926316
"1079594"	131.959608	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2K"	77.926316
"1104055"	264.926492	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2K+H"	78.933592
"1340440"	265.014107	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+DMSO+H"	79.021207
"1011160"	269.053276	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2ACN+H"	83.060376
"1530378"	270.046908	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+IsoProp+Na+H"	84.054008
"995732"	135.030276	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+2ACN+2H"	84.067652
"1594611"	270.961528	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+K+HCOOH"	84.968628
"1420271"	300.993038	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+H+CF3COOH"	115.000138
"1153841"	155.543551	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+3ACN+2H"	125.094202
"1699018"	318.019585	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+NH4+CF3COOH"	132.026685
"1635035"	322.97498	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+Na+CF3COOH"	136.98208
"1580167"	338.94892	"C00631"	"2-Phospho-D-glycerate;D-Glycerate 2-phosphate;2-Phospho-(R)-glycerate"	"C3H7O7P"	"185.9929"	"M+K+CF3COOH"	152.95602
"802877"	153.0426	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M"	0
"979694"	134.02421	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"67939"	101.021124	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"512967"	152.035324	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"888583"	50.006924	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"6064"	152.035324	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"452916"	228.556624	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"828894"	75.514024	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"89979"	305.077924	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"527353"	458.120524	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"902965"	152.035324	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"49077"	322.104471	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"487217"	475.147071	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"869240"	169.061871	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"33861"	327.059866	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"471587"	480.102466	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"850128"	174.017266	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1619657"	174.017266	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"99839"	170.023663	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"537939"	246.544963	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"933644"	93.502363	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"271469"	341.054602	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"668630"	494.097202	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1279211"	188.012002	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"22134"	343.033806	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"461328"	496.076406	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"837307"	189.991206	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1561890"	189.991206	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"949045"	198.040794	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"366167"	351.083401	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"349321"	365.099051	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1494877"	212.056451	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"966797"	220.022751	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"114611"	188.012002	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"558546"	264.533302	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1033542"	111.490702	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1246923"	231.961485	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1313744"	234.017472	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1329055"	255.999429	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"921203"	266.028186	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1295726"	302.004864	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1371700"	118.029924	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1390291"	136.0399	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"291072"	307.092476	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"685679"	460.135076	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1362029"	154.049876	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"136014"	154.049876	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"578855"	230.571176	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1046563"	77.528576	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"213368"	103.035676	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"656208"	154.049876	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1175063"	52.021476	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"434327"	324.119023	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"790220"	477.161623	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1689467"	171.076423	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"337744"	162.5631495	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"730168"	239.0844495	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1481072"	86.0418495	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"399387"	329.074418	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"758194"	482.117018	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1607383"	176.031818	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"315599"	165.040847	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"708750"	241.562147	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1466948"	88.519547	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1056548"	59.34879	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1259317"	186.076086	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"380447"	345.048358	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"743633"	498.090958	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1544597"	192.005758	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"308336"	173.027817	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"697478"	249.549117	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1450204"	96.506517	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"243178"	348.119026	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1216979"	195.076426	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1195758"	98.041851	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"198840"	351.05636	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"641324"	504.09896	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1144463"	198.01376	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"184476"	176.031818	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"620755"	252.553118	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1123165"	99.510518	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1401586"	66.676104	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1436616"	200.055346	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"227404"	181.06484	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1514371"	214.10739	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"414057"	184.018788	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"775051"	260.540088	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1670290"	107.497488	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"257908"	370.100968	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1232805"	217.058368	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1716592"	217.081893	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1180849"	74.003418	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1651229"	222.037288	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"163805"	383.00424	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"608473"	536.04684	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1091162"	229.96164	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"151992"	192.005758	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"591914"	268.527058	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1076423"	115.484458	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1104164"	231.976192	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1342737"	232.063807	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1012365"	236.102976	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1529399"	237.096608	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"995844"	118.555126	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1588644"	238.011228	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1424757"	268.042738	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1152858"	139.068401	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1699128"	285.069285	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1638061"	290.02468	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1580277"	305.99862	"C00632"	"3-Hydroxyanthranilate;3-Hydroxyanthranilic acid"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"810643"	122.0368	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M"	0
"984177"	103.01841	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H2O-H"	-19.01839
"66950"	80.3505906666667	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-3H"	-3.021828
"506510"	121.029524	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-3H"	-3.021828
"882127"	39.6716573333333	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-3H"	-3.021828
"9455"	121.029524	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H"	-2.014552
"450108"	182.047924	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H"	-2.014552
"830826"	60.011124	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H"	-2.014552
"87903"	243.066324	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-H"	-1.007276
"525276"	365.103124	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-H"	-1.007276
"907451"	121.029524	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H"	-1.007276
"55264"	260.092871	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+NH4"	16.019271
"492638"	382.129671	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+NH4"	16.019271
"872630"	138.056071	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+NH4"	16.019271
"40531"	265.048266	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+Na"	20.974666
"481184"	387.085066	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+Na"	20.974666
"858987"	143.011466	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+Na"	20.974666
"1627428"	143.011466	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na-2H"	20.974666
"101771"	139.017863	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-H+Cl"	33.962126
"538049"	200.036263	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-H+Cl"	33.962126
"937033"	77.999463	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+Cl"	33.962126
"276683"	279.043002	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Cl"	34.969402
"668014"	401.079802	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Cl"	34.969402
"1280416"	157.006202	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl"	34.969402
"20057"	281.022206	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+K"	36.948606
"461440"	403.059006	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+K"	36.948606
"838148"	158.985406	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+K"	36.948606
"1560543"	158.985406	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K-2H"	36.948606
"949522"	167.034994	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+HCOOH"	44.998194
"366645"	289.071801	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+HCOOH-H"	44.998201
"349435"	303.087451	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Hac-H"	59.013851
"1496445"	181.050651	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Hac-H"	59.013851
"965814"	189.016951	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+NaCOOH"	66.980151
"119095"	157.006202	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Cl"	69.938804
"559749"	218.024602	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Cl"	69.938804
"1034016"	95.987802	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Cl"	69.938804
"1249221"	200.955685	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Br"	78.918885
"1315677"	203.011672	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+HCOOH"	80.974872
"1330987"	224.993629	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+NaCOOH"	102.956829
"924593"	235.022386	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+CF3COOH"	112.985586
"1296930"	270.999064	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+CF3COOH"	148.962264
"1375090"	87.024124	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H-2H2O"	-35.012676
"1391129"	105.0341	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H-H2O"	-17.0027
"291909"	245.080876	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H"	1.007276
"685423"	367.117676	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H"	1.007276
"1355576"	123.044076	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H"	1.007276
"138314"	123.044076	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2H"	2.014552
"578602"	184.062476	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2H"	2.014552
"1047766"	62.025676	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2H"	2.014552
"217124"	82.3651426666667	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+3H"	3.021828
"657050"	123.044076	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+3H"	3.021828
"1174445"	41.6862093333333	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3H"	3.021828
"434436"	262.107423	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+NH4"	18.033823
"795432"	384.144223	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+NH4"	18.033823
"1691762"	140.070623	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4"	18.033823
"334574"	131.5573495	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+NH4"	19.041099
"727362"	192.5757495	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+NH4"	19.041099
"1483004"	70.5389495	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+NH4"	19.041099
"399496"	267.062818	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Na"	22.989218
"758305"	389.099618	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Na"	22.989218
"1606402"	145.026018	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na"	22.989218
"318630"	134.035047	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+Na"	23.996494
"712144"	195.053447	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+Na"	23.996494
"1464871"	73.016647	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+Na"	23.996494
"1059212"	49.0135233333333	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2H+Na"	25.00377
"1259794"	155.070286	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+CH3OH+H"	33.033486
"382747"	283.036758	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+K"	38.963158
"743737"	405.073558	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+K"	38.963158
"1543610"	160.999958	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K"	38.963158
"305163"	142.022017	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+K"	39.970434
"697586"	203.040417	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+K"	39.970434
"1453592"	81.003617	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+K"	39.970434
"244379"	286.107426	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+ACN+H"	42.033826
"1215995"	164.070626	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+H"	42.033826
"1197690"	82.538951	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+2H"	43.041102
"200044"	289.04476	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Na-H"	44.97116
"639246"	411.08156	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Na-H"	44.97116
"1144211"	167.00796	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Na-H"	44.97116
"187139"	145.026018	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Na"	45.978436
"627062"	206.044418	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Na"	45.978436
"1123639"	84.007618	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Na"	45.978436
"1406802"	56.3408373333333	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+2Na"	46.985712
"1437822"	169.049546	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+HCOOH"	47.012746
"232982"	150.05904	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+3H2O+2H"	56.04448
"1513389"	183.10159	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+IsoProp+H"	61.06479
"415260"	153.012988	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Na+K"	61.952376
"775164"	214.031388	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Na+K"	61.952376
"1667124"	91.994588	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+K"	61.952376
"260206"	308.089368	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+ACN+Na"	64.015768
"1229635"	186.052568	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+Na"	64.015768
"1721805"	186.076093	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4+HCOOH"	64.039293
"1181692"	63.6681513333333	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3Na"	68.967654
"1651584"	191.031488	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+HCOOH"	68.994688
"165008"	320.99264	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2K-H"	76.91904
"610044"	443.02944	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2K-H"	76.91904
"1092365"	198.95584	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K-H"	76.91904
"153924"	160.999958	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2K"	77.926316
"592026"	222.018358	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2K"	77.926316
"1076537"	99.981558	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K"	77.926316
"1107557"	200.970392	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K+H"	78.933592
"1341753"	201.058007	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+DMSO+H"	79.021207
"1015755"	205.097176	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2ACN+H"	83.060376
"1531696"	206.090808	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+IsoProp+Na+H"	84.054008
"998142"	103.052226	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2ACN+2H"	84.067652
"1594831"	207.005428	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K+HCOOH"	84.968628
"1424869"	237.036938	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+CF3COOH"	115.000138
"1158436"	123.565501	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3ACN+2H"	125.094202
"1700695"	254.063485	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4+CF3COOH"	132.026685
"1640357"	259.01888	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+CF3COOH"	136.98208
"1580387"	274.99282	"C00633"	"4-Hydroxybenzaldehyde;p-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K+CF3COOH"	152.95602
"807476"	260.0297	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"974809"	241.01131	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"67062"	172.345857333333	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"507720"	259.022424	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"885522"	85.6692906666667	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"3002"	259.022424	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"452406"	389.037274	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"824740"	129.007574	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"88013"	519.052124	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"524291"	779.081824	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"899907"	259.022424	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"51005"	536.078671	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"487887"	796.108371	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"864595"	276.048971	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"35174"	541.034066	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"487048"	801.063766	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"862260"	281.004366	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1629728"	281.004366	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"105161"	277.010763	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"545815"	407.025613	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"933862"	146.995913	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"269502"	555.028802	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"664845"	815.058502	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1281621"	294.999102	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"21990"	557.008006	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"465924"	817.037706	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"838265"	296.978306	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1560661"	296.978306	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"948543"	305.027894	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"371133"	565.057601	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"359394"	579.073251	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1506038"	319.043551	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"972485"	327.009851	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"122120"	294.999102	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"558765"	425.013952	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1034125"	164.984252	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1252244"	338.948585	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1315787"	341.004572	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1328181"	362.986529	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"921423"	373.015286	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1299225"	408.991964	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1370825"	225.017024	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1391602"	243.027	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"289102"	521.066676	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"686998"	781.096376	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1360066"	261.036976	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"136234"	261.036976	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"578348"	391.051826	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1047874"	131.022126	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"214680"	174.360409333333	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"654244"	261.036976	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1173098"	87.6838426666667	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"429444"	538.093223	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"794448"	798.122923	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1690779"	278.063523	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"337967"	269.5502495	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"726014"	399.5650995	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1478131"	139.5353995	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"393772"	543.048618	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"755738"	803.078318	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1605417"	283.018918	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"318012"	272.027947	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"715538"	402.042797	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1469357"	142.013097	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1058229"	95.0111566666667	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1259909"	293.063186	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"379583"	559.022558	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"742766"	819.052258	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1547008"	298.992858	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"303090"	280.014917	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"697697"	410.029767	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1447141"	150.000067	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"236837"	562.093226	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1220492"	302.063526	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1207290"	151.535401	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"203576"	565.03056	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"643740"	825.06026	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1146636"	305.00086	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"185790"	283.018918	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"628232"	413.033768	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1127763"	153.004068	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1406912"	102.338470666667	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1437932"	307.042446	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"229812"	288.05194	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1512411"	321.09449	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"411364"	291.005888	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"771269"	421.020738	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1671614"	160.991038	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"255946"	584.075168	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1231936"	324.045468	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1718635"	324.068993	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1188365"	109.665784666667	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1660449"	329.024388	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"168402"	596.97844	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"611246"	857.00814	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1089198"	336.94874	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"149294"	298.992858	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"587760"	429.007708	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1072270"	168.978008	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1110957"	338.963292	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1348434"	339.050907	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1013682"	343.090076	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1533994"	344.083708	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1001536"	172.048676	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1600414"	344.998328	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1426071"	375.029838	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1156362"	192.561951	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1702632"	392.056385	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1641565"	397.01178	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1573933"	412.98572	"C00636"	"D-Mannose 1-phosphate;alpha-D-Mannose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"807586"	159.0684	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M"	0
"974629"	140.05001	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-H2O-H"	-19.01839
"67172"	105.038324	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M-3H"	-3.021828
"507830"	158.061124	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M-3H"	-3.021828
"885632"	52.015524	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-3H"	-3.021828
"3112"	158.061124	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M-2H"	-2.014552
"452516"	237.595324	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M-2H"	-2.014552
"828131"	78.526924	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-2H"	-2.014552
"88123"	317.129524	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M-H"	-1.007276
"528776"	476.197924	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M-H"	-1.007276
"900017"	158.061124	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-H"	-1.007276
"52208"	334.156071	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M-2H+NH4"	16.019271
"491766"	493.224471	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M-2H+NH4"	16.019271
"866654"	175.087671	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-2H+NH4"	16.019271
"40752"	339.111466	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M-2H+Na"	20.974666
"485544"	498.179866	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M-2H+Na"	20.974666
"859211"	180.043066	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-2H+Na"	20.974666
"1629838"	180.043066	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Na-2H"	20.974666
"106366"	176.049463	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M-H+Cl"	33.962126
"544833"	255.583663	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M-H+Cl"	33.962126
"933975"	96.515263	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-H+Cl"	33.962126
"277998"	353.106202	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+Cl"	34.969402
"667143"	512.174602	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+Cl"	34.969402
"1277359"	194.037802	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Cl"	34.969402
"24289"	355.085406	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M-2H+K"	36.948606
"467859"	514.153806	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M-2H+K"	36.948606
"839468"	196.017006	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-2H+K"	36.948606
"1560771"	196.017006	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+K-2H"	36.948606
"949746"	204.066594	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-H+HCOOH"	44.998194
"370879"	363.135001	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+HCOOH-H"	44.998201
"360234"	377.150651	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+Hac-H"	59.013851
"1507852"	218.082251	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Hac-H"	59.013851
"973205"	226.048551	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-H+NaCOOH"	66.980151
"124988"	194.037802	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+2Cl"	69.938804
"562156"	273.572002	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+2Cl"	69.938804
"1029863"	114.503602	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2Cl"	69.938804
"1256002"	237.987285	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Br"	78.918885
"1317722"	240.043272	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Cl+HCOOH"	80.974872
"1331574"	262.025229	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Cl+NaCOOH"	102.956829
"923725"	272.053986	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M-H+CF3COOH"	112.985586
"1299338"	308.030664	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Cl+CF3COOH"	148.962264
"1378590"	124.055724	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H-2H2O"	-35.012676
"1391713"	142.0657	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H-H2O"	-17.0027
"292493"	319.144076	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+H"	1.007276
"683828"	478.212476	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+H"	1.007276
"1360177"	160.075676	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H"	1.007276
"140720"	160.075676	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+2H"	2.014552
"578093"	239.609876	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+2H"	2.014552
"1050172"	80.541476	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2H"	2.014552
"216978"	107.052876	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+3H"	3.021828
"656176"	160.075676	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+3H"	3.021828
"1174666"	54.030076	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+3H"	3.021828
"429189"	336.170623	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+NH4"	18.033823
"793465"	495.239023	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+NH4"	18.033823
"1689797"	177.102223	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+NH4"	18.033823
"335890"	168.5889495	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+H+NH4"	19.041099
"728311"	248.1231495	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+H+NH4"	19.041099
"1478485"	89.0547495	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H+NH4"	19.041099
"394005"	341.126018	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+Na"	22.989218
"755606"	500.194418	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+Na"	22.989218
"1604434"	182.057618	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Na"	22.989218
"318122"	171.066647	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+H+Na"	23.996494
"715648"	250.600847	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+H+Na"	23.996494
"1469467"	91.532447	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H+Na"	23.996494
"1061619"	61.35739	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2H+Na"	25.00377
"1260019"	192.101886	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+CH3OH+H"	33.033486
"380786"	357.099958	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+K"	38.963158
"742876"	516.168358	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+K"	38.963158
"1547118"	198.031558	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+K"	38.963158
"303200"	179.053617	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+H+K"	39.970434
"698900"	258.587817	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+H+K"	39.970434
"1447251"	99.519417	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H+K"	39.970434
"239135"	360.170626	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+ACN+H"	42.033826
"1221695"	201.102226	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+ACN+H"	42.033826
"1205578"	101.054751	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+ACN+2H"	43.041102
"202832"	363.10796	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+2Na-H"	44.97116
"643729"	522.17636	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+2Na-H"	44.97116
"1146141"	204.03956	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2Na-H"	44.97116
"185415"	182.057618	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+2Na"	45.978436
"627527"	261.591818	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+2Na"	45.978436
"1127873"	102.523418	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2Na"	45.978436
"1407022"	68.684704	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H+2Na"	46.985712
"1441687"	206.081146	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H+HCOOH"	47.012746
"232475"	187.09064	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+3H2O+2H"	56.04448
"1513977"	220.13319	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+IsoProp+H"	61.06479
"414389"	190.044588	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+Na+K"	61.952376
"772106"	269.578788	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+Na+K"	61.952376
"1675003"	110.510388	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Na+K"	61.952376
"259336"	382.152568	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+ACN+Na"	64.015768
"1233139"	223.084168	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+ACN+Na"	64.015768
"1718745"	223.107693	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+NH4+HCOOH"	64.039293
"1188839"	76.012018	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+3Na"	68.967654
"1659830"	228.063088	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Na+HCOOH"	68.994688
"168509"	395.05584	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+2K-H"	76.91904
"606252"	554.12424	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+2K-H"	76.91904
"1094412"	235.98744	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2K-H"	76.91904
"150499"	198.031558	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"2M+2K"	77.926316
"590057"	277.565758	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"3M+2K"	77.926316
"1075660"	118.497358	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2K"	77.926316
"1107786"	238.001992	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2K+H"	78.933592
"1345263"	238.089607	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+DMSO+H"	79.021207
"1010512"	242.128776	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2ACN+H"	83.060376
"1530824"	243.122408	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+IsoProp+Na+H"	84.054008
"995084"	121.568026	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+2ACN+2H"	84.067652
"1593962"	244.037028	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+K+HCOOH"	84.968628
"1422901"	274.068538	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+H+CF3COOH"	115.000138
"1152095"	142.081301	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+3ACN+2H"	125.094202
"1700554"	291.095085	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+NH4+CF3COOH"	132.026685
"1638393"	296.05048	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+Na+CF3COOH"	136.98208
"1572950"	312.02442	"C00637"	"Indole-3-acetaldehyde;2-(Indol-3-yl)acetaldehyde;Indoleacetaldehyde"	"C10H9NO"	"159.0684"	"M+K+CF3COOH"	152.95602
"802957"	354.2406	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M"	0
"981229"	335.22221	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"66192"	235.153124	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"507940"	353.233324	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"885742"	117.072924	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"9785"	353.233324	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"447159"	530.353624	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"824961"	176.113024	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"89327"	707.473924	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"527796"	1061.714524	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"909732"	353.233324	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"57786"	724.500471	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"495160"	1078.741071	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"878430"	370.259871	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"42696"	729.455866	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"485533"	1083.696466	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"859321"	375.215266	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1629948"	375.215266	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"99916"	371.221663	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"538748"	548.341963	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"928981"	194.101363	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"275927"	743.450602	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"664337"	1097.691202	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1275278"	389.210002	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"19658"	745.429806	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"458859"	1099.670406	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"840674"	391.189206	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1567442"	391.189206	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"948764"	399.238794	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"371354"	753.479401	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"356334"	767.495051	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1507717"	413.254451	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"969425"	421.220751	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"120520"	389.210002	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"558985"	566.330302	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1035074"	212.089702	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1255747"	433.159485	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1314185"	435.215472	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1331682"	457.197429	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"924925"	467.226186	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1296166"	503.202864	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1373234"	319.227924	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1388543"	337.2379	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"289331"	709.488476	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"681751"	1063.729076	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1358099"	355.247876	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"135361"	355.247876	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"578200"	532.368176	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1047001"	178.127576	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"215998"	237.167676	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"655193"	355.247876	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1168213"	119.087476	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"429300"	726.515023	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"789202"	1080.755623	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1685533"	372.274423	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"337092"	363.7611495	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"723436"	540.8814495	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1477985"	186.6408495	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"393388"	731.470418	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"756082"	1085.711018	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1611115"	377.229818	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"321153"	366.238847	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"714666"	543.359147	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1465935"	189.118547	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1056629"	126.41479	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1266699"	387.274086	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"390377"	747.444358	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"742989"	1101.684958	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1545040"	393.203758	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"301484"	374.225817	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"693904"	551.346117	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1446062"	197.105517	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"248735"	750.515026	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1223265"	396.274426	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1209093"	198.640851	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"203180"	753.45236	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"642130"	1107.69296	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1142720"	399.21176	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"180542"	377.229818	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"618280"	554.350118	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1119231"	200.109518	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1404945"	133.742104	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1434872"	401.253346	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"228939"	382.26284	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1518093"	415.30539	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"414500"	385.216788	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"775867"	562.337088	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1670738"	208.096488	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"255071"	772.496968	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1232155"	418.256368	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1716667"	418.279893	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1185303"	141.069418	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1660664"	423.235288	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"167530"	785.40024	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"608182"	1139.64084	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1093792"	431.15964	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"146234"	393.203758	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"589073"	570.324058	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1075771"	216.083458	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1106799"	433.174192	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1347560"	433.261807	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1013902"	437.300976	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1532027"	438.294608	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"994102"	219.154126	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1594072"	439.209228	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1421918"	469.240738	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1152208"	239.667401	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1702853"	486.267285	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1636683"	491.22268	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1577438"	507.19662	"C00639"	"Prostaglandin F2alpha;(5Z13E)-(15S)-9alpha11alpha15-Trihydroxyprosta-513-dienoate;()-Prostaglandin F2a;7-35-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl-5-heptenoic acid;9a11a-PGF2;Amoglandin;Cyclosin;Dinoprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;91115-Trihydroxy-(5Z9a11a13E15S)-prosta-513-dien-1-oic acid;Prostaglandin F2a;Prostin F 2 alpha;Protamodin;U 14583;(5Z9alpha11alpha13E15S)-91115-Trihydroxyprosta-513-dienoate"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"811088"	152.0473	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M"	0
"981341"	133.02891	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"70677"	100.357590666667	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"508050"	151.040024	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"883665"	49.6751573333333	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"14394"	151.040024	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"447269"	227.063674	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"830906"	75.016374	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"87253"	303.087324	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"531190"	455.134624	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"909842"	151.040024	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"62280"	320.113871	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"500742"	472.161171	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"877090"	168.066571	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"46204"	325.069266	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"483821"	477.116566	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"860530"	173.021966	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1626783"	173.021966	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"104406"	169.028363	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"545060"	245.052013	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"938577"	93.004713	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"278225"	339.064002	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"670647"	491.111302	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1281957"	187.016702	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"23421"	341.043206	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"470278"	493.090506	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"848203"	188.995906	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1569379"	188.995906	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"952159"	197.045494	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"368188"	349.092801	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"354258"	363.108451	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1506006"	211.061151	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"971360"	219.027451	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"119537"	187.016702	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"558002"	263.040352	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1030082"	110.993052	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1250756"	230.966185	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1306642"	233.022172	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1325231"	255.004129	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"915196"	265.032886	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1296276"	301.009564	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1375537"	117.034624	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1394130"	135.0446	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"292722"	305.101876	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"680769"	457.149176	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1354929"	153.054576	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"130005"	153.054576	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"575032"	229.078226	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1043833"	77.030926	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"213921"	102.372142666667	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"650200"	153.054576	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1166138"	51.6897093333333	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"427223"	322.128423	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"787611"	474.175723	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1686736"	170.081123	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"333194"	161.5678495	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"723180"	237.5914995	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1477612"	85.5441995	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"395567"	327.083818	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"760937"	479.131118	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1609041"	175.036518	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"324545"	164.045547	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"719156"	240.069197	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1469702"	88.021897	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1065138"	59.0170233333333	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1268271"	185.080786	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"387939"	343.057758	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"742007"	495.105058	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1542964"	191.010458	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"299048"	172.032517	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"703503"	248.056167	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1459519"	96.008867	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"250548"	346.128426	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1223618"	194.081126	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1208359"	97.544201	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"203291"	349.06576	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"642975"	501.11306	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1145874"	197.01846	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"179559"	175.036518	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"623494"	251.060168	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1121531"	99.012868	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1402867"	66.3443373333333	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1439355"	199.060046	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"224676"	180.06954	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1511648"	213.11209	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"413523"	183.023488	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"779989"	259.047138	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1676317"	106.999838	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"259556"	368.110368	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1233359"	216.063068	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1721152"	216.086593	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1190880"	73.6716513333333	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1661867"	221.041988	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"169825"	381.01364	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"609019"	533.06094	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1092805"	228.96634	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"147439"	191.010458	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"585905"	267.034108	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1079170"	114.986808	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1106911"	230.980892	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1347670"	231.068507	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1014013"	235.107676	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1532135"	236.101308	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"996396"	118.057476	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1597464"	237.015928	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1425315"	267.047438	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1156696"	138.570751	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1708433"	284.073985	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1642991"	289.02938	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1580832"	305.00332	"C00642"	"4-Hydroxyphenylacetate;4-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"811198"	220.0848	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M"	0
"981451"	201.06641	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-H2O-H"	-19.01839
"70787"	145.715924	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M-3H"	-3.021828
"508160"	219.077524	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M-3H"	-3.021828
"883775"	72.354324	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-3H"	-3.021828
"13287"	219.077524	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M-2H"	-2.014552
"447379"	329.119924	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M-2H"	-2.014552
"831378"	109.035124	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-2H"	-2.014552
"90643"	439.162324	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M-H"	-1.007276
"524736"	659.247124	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M-H"	-1.007276
"909588"	219.077524	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-H"	-1.007276
"56915"	456.188871	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M-2H+NH4"	16.019271
"501338"	676.273671	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M-2H+NH4"	16.019271
"878658"	236.104071	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-2H+NH4"	16.019271
"46313"	461.144266	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M-2H+Na"	20.974666
"484661"	681.229066	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M-2H+Na"	20.974666
"858452"	241.059466	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-2H+Na"	20.974666
"1626892"	241.059466	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Na-2H"	20.974666
"105609"	237.065863	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M-H+Cl"	33.962126
"542981"	347.108263	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M-H+Cl"	33.962126
"939780"	127.023463	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-H+Cl"	33.962126
"278335"	475.139002	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+Cl"	34.969402
"671850"	695.223802	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+Cl"	34.969402
"1282068"	255.054202	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Cl"	34.969402
"22438"	477.118206	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M-2H+K"	36.948606
"468930"	697.203006	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M-2H+K"	36.948606
"847825"	257.033406	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-2H+K"	36.948606
"1568393"	257.033406	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+K-2H"	36.948606
"957736"	265.082994	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-H+HCOOH"	44.998194
"371578"	485.167801	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+HCOOH-H"	44.998201
"353275"	499.183451	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+Hac-H"	59.013851
"1498096"	279.098651	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Hac-H"	59.013851
"970376"	287.064951	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-H+NaCOOH"	66.980151
"121470"	255.054202	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+2Cl"	69.938804
"560299"	365.096602	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+2Cl"	69.938804
"1029100"	145.011802	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2Cl"	69.938804
"1249773"	299.003685	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Br"	78.918885
"1312219"	301.059672	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Cl+HCOOH"	80.974872
"1328622"	323.041629	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Cl+NaCOOH"	102.956829
"919680"	333.070386	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M-H+CF3COOH"	112.985586
"1299668"	369.047064	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Cl+CF3COOH"	148.962264
"1376740"	185.072124	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H-2H2O"	-35.012676
"1393146"	203.0821	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H-H2O"	-17.0027
"291739"	441.176876	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+H"	1.007276
"680879"	661.261676	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+H"	1.007276
"1355039"	221.092076	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H"	1.007276
"130115"	221.092076	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+2H"	2.014552
"575142"	331.134476	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+2H"	2.014552
"1041027"	111.049676	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2H"	2.014552
"214031"	147.730476	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+3H"	3.021828
"650310"	221.092076	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+3H"	3.021828
"1168436"	74.368876	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+3H"	3.021828
"427699"	458.203423	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+NH4"	18.033823
"789423"	678.288223	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+NH4"	18.033823
"1686117"	238.118623	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+NH4"	18.033823
"333668"	229.6053495	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+H+NH4"	19.041099
"725723"	339.6477495	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+H+NH4"	19.041099
"1479543"	119.5629495	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H+NH4"	19.041099
"395676"	463.158818	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+Na"	22.989218
"762140"	683.243618	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+Na"	22.989218
"1605867"	243.074018	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Na"	22.989218
"318094"	232.083047	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+H+Na"	23.996494
"713801"	342.125447	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+H+Na"	23.996494
"1468719"	122.040647	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H+Na"	23.996494
"1065247"	81.69619	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2H+Na"	25.00377
"1266921"	253.118286	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+CH3OH+H"	33.033486
"386591"	479.132758	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+K"	38.963158
"742117"	699.217558	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+K"	38.963158
"1542709"	259.047958	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+K"	38.963158
"298832"	240.070017	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+H+K"	39.970434
"702520"	350.112417	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+H+K"	39.970434
"1458532"	130.027617	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H+K"	39.970434
"250780"	482.203426	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+ACN+H"	42.033826
"1225066"	262.118626	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+ACN+H"	42.033826
"1209071"	131.562951	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+ACN+2H"	43.041102
"203926"	485.14076	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+2Na-H"	44.97116
"643327"	705.22556	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+2Na-H"	44.97116
"1146633"	265.05596	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2Na-H"	44.97116
"180763"	243.074018	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+2Na"	45.978436
"623604"	353.116418	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+2Na"	45.978436
"1124921"	133.031618	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2Na"	45.978436
"1401883"	89.023504	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H+2Na"	46.985712
"1439465"	267.097546	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H+HCOOH"	47.012746
"226972"	248.10704	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+3H2O+2H"	56.04448
"1511030"	281.14959	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+IsoProp+H"	61.06479
"411447"	251.060988	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+Na+K"	61.952376
"780099"	361.103388	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+Na+K"	61.952376
"1676427"	141.018588	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Na+K"	61.952376
"257479"	504.185368	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+ACN+Na"	64.015768
"1233469"	284.100568	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+ACN+Na"	64.015768
"1720168"	284.124093	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+NH4+HCOOH"	64.039293
"1184429"	96.350818	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+3Na"	68.967654
"1656509"	289.079488	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Na+HCOOH"	68.994688
"161183"	517.08864	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+2K-H"	76.91904
"600745"	737.17344	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+2K-H"	76.91904
"1089631"	297.00384	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2K-H"	76.91904
"146455"	259.047958	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"2M+2K"	77.926316
"586018"	369.090358	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"3M+2K"	77.926316
"1072712"	149.005558	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2K"	77.926316
"1103734"	299.018392	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2K+H"	78.933592
"1341218"	299.106007	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+DMSO+H"	79.021207
"1013025"	303.145176	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2ACN+H"	83.060376
"1530058"	304.138808	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+IsoProp+Na+H"	84.054008
"996507"	152.076226	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+2ACN+2H"	84.067652
"1597574"	305.053428	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+K+HCOOH"	84.968628
"1426518"	335.084938	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+H+CF3COOH"	115.000138
"1157899"	172.589501	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+3ACN+2H"	125.094202
"1707450"	352.111485	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+NH4+CF3COOH"	132.026685
"1643101"	357.06688	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+Na+CF3COOH"	136.98208
"1574381"	373.04082	"C00643"	"5-Hydroxy-L-tryptophan;Oxitriptan"	"C11H12N2O3"	"220.0848"	"M+K+CF3COOH"	152.95602
"811308"	262.0454	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M"	0
"978281"	243.02701	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H2O-H"	-19.01839
"70897"	173.689657333333	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-3H"	-3.021828
"509363"	261.038124	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-3H"	-3.021828
"885341"	86.3411906666666	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-3H"	-3.021828
"13397"	261.038124	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H"	-2.014552
"450769"	392.060824	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H"	-2.014552
"832694"	130.015424	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H"	-2.014552
"90752"	523.083524	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-H"	-1.007276
"529947"	785.128924	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-H"	-1.007276
"905928"	261.038124	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H"	-1.007276
"61156"	540.110071	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+NH4"	16.019271
"500595"	802.155471	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+NH4"	16.019271
"876581"	278.064671	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+NH4"	16.019271
"44478"	545.065466	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+Na"	20.974666
"480761"	807.110866	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+Na"	20.974666
"857469"	283.020066	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+Na"	20.974666
"1627002"	283.020066	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na-2H"	20.974666
"104625"	279.026463	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-H+Cl"	33.962126
"543091"	410.049163	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-H+Cl"	33.962126
"942606"	148.003763	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+Cl"	33.962126
"278445"	559.060202	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Cl"	34.969402
"674876"	821.105602	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+Cl"	34.969402
"1286552"	297.014802	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl"	34.969402
"25828"	561.039406	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+K"	36.948606
"469040"	823.084806	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+K"	36.948606
"847206"	298.994006	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+K"	36.948606
"1568867"	298.994006	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K-2H"	36.948606
"955660"	307.043594	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+HCOOH"	44.998194
"372781"	569.089001	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+HCOOH-H"	44.998201
"355571"	583.104651	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Hac-H"	59.013851
"1496019"	321.059251	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Hac-H"	59.013851
"965382"	329.025551	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+NaCOOH"	66.980151
"119757"	297.014802	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Cl"	69.938804
"561503"	428.037502	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Cl"	69.938804
"1033584"	165.992102	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2Cl"	69.938804
"1250976"	340.964285	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Br"	78.918885
"1315609"	343.020272	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+HCOOH"	80.974872
"1329825"	365.002229	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+NaCOOH"	102.956829
"923070"	375.030986	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+CF3COOH"	112.985586
"1297591"	411.007664	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+CF3COOH"	148.962264
"1376850"	227.032724	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H-2H2O"	-35.012676
"1396901"	245.0427	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H-H2O"	-17.0027
"295130"	525.098076	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H"	1.007276
"686456"	787.143476	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H"	1.007276
"1359523"	263.052676	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H"	1.007276
"133506"	263.052676	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2H"	2.014552
"579262"	394.075376	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2H"	2.014552
"1042960"	132.029976	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2H"	2.014552
"213048"	175.704209333333	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H"	3.021828
"651514"	263.052676	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+3H"	3.021828
"1172921"	88.3557426666667	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+3H"	3.021828
"431818"	542.124623	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+NH4"	18.033823
"795002"	804.170023	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+NH4"	18.033823
"1692424"	280.079223	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4"	18.033823
"334508"	271.5659495	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+NH4"	19.041099
"729843"	402.5886495	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+NH4"	19.041099
"1480748"	140.5432495	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+NH4"	19.041099
"396151"	547.080018	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na"	22.989218
"762250"	809.125418	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na"	22.989218
"1608163"	285.034618	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na"	22.989218
"320390"	274.043647	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+Na"	23.996494
"718283"	405.066347	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+Na"	23.996494
"1472474"	143.020947	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+Na"	23.996494
"1064992"	95.6830566666666	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2H+Na"	25.00377
"1267760"	295.078886	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+CH3OH+H"	33.033486
"389253"	563.053958	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+K"	38.963158
"747694"	825.099358	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+K"	38.963158
"1548651"	301.008558	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K"	38.963158
"305828"	282.030617	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+K"	39.970434
"703723"	413.053317	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+K"	39.970434
"1460097"	151.007917	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+K"	39.970434
"250890"	566.124626	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+H"	42.033826
"1224690"	304.079226	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+H"	42.033826
"1209139"	152.543251	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+2H"	43.041102
"198890"	569.06196	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na-H"	44.97116
"642826"	831.10736	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na-H"	44.97116
"1144873"	307.01656	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na-H"	44.97116
"180871"	285.034618	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na"	45.978436
"624807"	416.057318	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na"	45.978436
"1127218"	154.011918	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na"	45.978436
"1409283"	103.010370666667	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+2Na"	46.985712
"1440669"	309.058146	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+HCOOH"	47.012746
"227083"	290.06764	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H2O+2H"	56.04448
"1512963"	323.11019	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+H"	61.06479
"412651"	293.021588	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na+K"	61.952376
"781303"	424.044288	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na+K"	61.952376
"1675444"	161.998888	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+K"	61.952376
"259776"	588.106568	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+Na"	64.015768
"1233580"	326.061168	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+Na"	64.015768
"1722465"	326.084693	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+HCOOH"	64.039293
"1188913"	110.337684666667	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+3Na"	68.967654
"1662087"	331.040088	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+HCOOH"	68.994688
"161293"	601.00984	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K-H"	76.91904
"607417"	863.05524	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K-H"	76.91904
"1089741"	338.96444	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2K-H"	76.91904
"146565"	301.008558	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K"	77.926316
"585035"	432.031258	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K"	77.926316
"1071729"	169.985858	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2K"	77.926316
"1103844"	340.978992	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2K+H"	78.933592
"1342421"	341.066607	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+DMSO+H"	79.021207
"1012042"	345.105776	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+H"	83.060376
"1532358"	346.099408	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+Na+H"	84.054008
"995524"	173.056526	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+2H"	84.067652
"1594398"	347.014028	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K+HCOOH"	84.968628
"1427721"	377.045538	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+CF3COOH"	115.000138
"1158006"	193.569801	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+3ACN+2H"	125.094202
"1706466"	394.072085	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+CF3COOH"	132.026685
"1643211"	399.02748	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+CF3COOH"	136.98208
"1574491"	415.00142	"C00644"	"D-Mannitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K+CF3COOH"	152.95602
"811418"	221.0899	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M"	0
"978391"	202.07151	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"67727"	146.385990666667	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"505100"	220.082624	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"886183"	72.6893573333333	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"9134"	220.082624	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"449422"	330.627574	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"830870"	109.537674	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"87581"	441.172524	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"524955"	662.262424	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"902758"	220.082624	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"60415"	458.199071	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"498883"	679.288971	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"876691"	237.109171	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"43495"	463.154466	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"478684"	684.244366	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"853206"	242.064566	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1624925"	242.064566	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"103642"	238.070963	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"543201"	348.615913	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"941456"	127.526013	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"279648"	477.149202	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"675229"	698.239102	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1287513"	256.059302	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"28126"	479.128406	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"467693"	700.218306	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"845858"	258.038506	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1568979"	258.038506	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"952490"	266.088094	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"372891"	487.178001	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"355681"	501.193651	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1497222"	280.103751	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"965492"	288.070051	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"119867"	256.059302	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"557240"	366.604252	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1030414"	145.514352	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1253273"	300.008785	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1313533"	302.064772	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1333945"	324.046729	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"925367"	334.075486	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1302075"	370.052164	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1375867"	186.077224	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1388992"	204.0872	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"293053"	443.187076	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"682193"	664.276976	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1357447"	222.097176	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"134709"	222.097176	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"575362"	332.642126	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1043071"	111.552226	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"213158"	148.400542666667	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"649438"	222.097176	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1168657"	74.7039093333333	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"429742"	460.213623	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"792925"	681.303523	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1690348"	239.123723	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"334254"	230.6104495	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"727402"	341.1553995	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1480858"	120.0654995	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"394075"	465.169018	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"760174"	686.258918	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1607180"	244.079118	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"320500"	233.088147	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"718393"	343.633097	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1468939"	122.543197	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1058901"	82.0312233333333	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1264952"	254.123386	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"388630"	481.142958	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"748895"	702.232858	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1545481"	260.053058	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"304845"	241.075117	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"702740"	351.620067	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1460571"	130.530167	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"251000"	484.213626	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1225043"	263.123726	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1209536"	132.065501	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"199000"	487.15096	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"643426"	708.24086	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1144983"	266.06106	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"183897"	244.079118	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"623823"	354.624068	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1127328"	133.534168	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1408664"	89.3585373333333	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1439686"	268.102646	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"226100"	249.11214	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1510886"	282.15469	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"413854"	252.066088	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"780319"	362.611038	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1674461"	141.521138	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"258793"	506.195568	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1230408"	285.105668	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1714920"	285.129193	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1179909"	96.6858513333333	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1655635"	290.084588	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"158606"	519.09884	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"604245"	740.18874	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1087300"	298.00894	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"146675"	260.053058	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"586238"	370.598008	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1072932"	149.508108	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1103954"	300.023492	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1341437"	300.111107	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1014337"	304.150276	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1532468"	305.143908	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"996727"	152.578776	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1592321"	306.058528	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1428560"	336.090038	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1155930"	173.092051	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1703294"	353.116585	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1643321"	358.07198	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1581162"	374.04592	"C00645"	"N-Acetyl-D-mannosamine;2-Acetamido-2-deoxy-D-mannose"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"811528"	248.0562	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M"	0
"978501"	229.03781	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-H2O-H"	-19.01839
"71117"	164.363524	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M-3H"	-3.021828
"507396"	247.048924	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M-3H"	-3.021828
"886293"	81.678124	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-3H"	-3.021828
"10337"	247.048924	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M-2H"	-2.014552
"450625"	371.077024	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M-2H"	-2.014552
"831468"	123.020824	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-2H"	-2.014552
"89877"	495.105124	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M-H"	-1.007276
"526158"	743.161324	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M-H"	-1.007276
"903961"	247.048924	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-H"	-1.007276
"61134"	512.131671	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M-2H+NH4"	16.019271
"498993"	760.187871	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M-2H+NH4"	16.019271
"876799"	264.075471	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-2H+NH4"	16.019271
"43605"	517.087066	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M-2H+Na"	20.974666
"484261"	765.143266	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M-2H+Na"	20.974666
"856595"	269.030866	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-2H+Na"	20.974666
"1622118"	269.030866	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Na-2H"	20.974666
"101563"	265.037263	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M-H+Cl"	33.962126
"540031"	389.065363	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M-H+Cl"	33.962126
"936826"	141.009163	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-H+Cl"	33.962126
"278665"	531.081802	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+Cl"	34.969402
"672180"	779.138002	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+Cl"	34.969402
"1283490"	283.025602	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Cl"	34.969402
"24956"	533.061006	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M-2H+K"	36.948606
"468166"	781.117206	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M-2H+K"	36.948606
"846697"	285.004806	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-2H+K"	36.948606
"1569089"	285.004806	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+K-2H"	36.948606
"954787"	293.054394	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-H+HCOOH"	44.998194
"375917"	541.110601	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+HCOOH-H"	44.998201
"356884"	555.126251	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+Hac-H"	59.013851
"1497332"	307.070051	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Hac-H"	59.013851
"966695"	315.036351	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-H+NaCOOH"	66.980151
"118884"	283.025602	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+2Cl"	69.938804
"558443"	407.053702	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+2Cl"	69.938804
"1030524"	158.997502	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2Cl"	69.938804
"1252290"	326.975085	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Br"	78.918885
"1313643"	329.031072	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Cl+HCOOH"	80.974872
"1331139"	351.013029	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Cl+NaCOOH"	102.956829
"923290"	361.041786	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M-H+CF3COOH"	112.985586
"1303281"	397.018464	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Cl+CF3COOH"	148.962264
"1375977"	213.043524	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H-2H2O"	-35.012676
"1389102"	231.0535	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H-H2O"	-17.0027
"288788"	497.119676	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+H"	1.007276
"677928"	745.175876	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+H"	1.007276
"1353183"	249.063476	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H"	1.007276
"128259"	249.063476	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+2H"	2.014552
"573286"	373.091576	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+2H"	2.014552
"1043181"	125.035376	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2H"	2.014552
"209988"	166.378076	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+3H"	3.021828
"649548"	249.063476	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+3H"	3.021828
"1168767"	83.692676	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+3H"	3.021828
"430946"	514.146223	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+NH4"	18.033823
"795222"	762.202423	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+NH4"	18.033823
"1692645"	266.090023	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+NH4"	18.033823
"334725"	257.5767495	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+H+NH4"	19.041099
"727878"	381.6048495	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+H+NH4"	19.041099
"1482060"	133.5486495	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H+NH4"	19.041099
"394912"	519.101618	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+Na"	22.989218
"755909"	767.157818	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+Na"	22.989218
"1608383"	271.045418	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Na"	22.989218
"319514"	260.054447	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+H+Na"	23.996494
"718502"	384.082547	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+H+Na"	23.996494
"1472327"	136.026347	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H+Na"	23.996494
"1057917"	91.01999	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2H+Na"	25.00377
"1266155"	281.089686	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+CH3OH+H"	33.033486
"386917"	535.075558	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+K"	38.963158
"745724"	783.131758	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+K"	38.963158
"1542311"	287.019358	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+K"	38.963158
"302768"	268.041417	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+H+K"	39.970434
"704308"	392.069517	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+H+K"	39.970434
"1459589"	144.013317	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H+K"	39.970434
"250625"	538.146226	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+ACN+H"	42.033826
"1224185"	290.090026	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+ACN+H"	42.033826
"1208795"	145.548651	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+ACN+2H"	43.041102
"199110"	541.08356	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+2Na-H"	44.97116
"643658"	789.13976	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+2Na-H"	44.97116
"1145822"	293.02736	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2Na-H"	44.97116
"186559"	271.045418	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+2Na"	45.978436
"618465"	395.073518	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+2Na"	45.978436
"1121971"	147.017318	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2Na"	45.978436
"1407680"	98.347304	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H+2Na"	46.985712
"1438702"	295.068946	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H+HCOOH"	47.012746
"225117"	276.07844	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+3H2O+2H"	56.04448
"1512089"	309.12099	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+IsoProp+H"	61.06479
"413964"	279.032388	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+Na+K"	61.952376
"782251"	403.060488	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+Na+K"	61.952376
"1676394"	155.004288	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Na+K"	61.952376
"258903"	560.128168	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+ACN+Na"	64.015768
"1228331"	312.071968	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+ACN+Na"	64.015768
"1715030"	312.095493	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+NH4+HCOOH"	64.039293
"1183659"	105.674618	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+3Na"	68.967654
"1656835"	317.050888	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Na+HCOOH"	68.994688
"163694"	573.03144	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+2K-H"	76.91904
"603259"	821.08764	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+2K-H"	76.91904
"1092143"	324.97524	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2K-H"	76.91904
"150052"	287.019358	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"2M+2K"	77.926316
"585248"	411.047458	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"3M+2K"	77.926316
"1074135"	162.991258	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2K"	77.926316
"1100657"	326.989792	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2K+H"	78.933592
"1344095"	327.077407	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+DMSO+H"	79.021207
"1012260"	331.116576	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2ACN+H"	83.060376
"1529292"	332.110208	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+IsoProp+Na+H"	84.054008
"1000116"	166.061926	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+2ACN+2H"	84.067652
"1590242"	333.024828	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+K+HCOOH"	84.968628
"1428670"	363.056338	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+H+CF3COOH"	115.000138
"1157133"	186.575201	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+3ACN+2H"	125.094202
"1703404"	380.082885	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+NH4+CF3COOH"	132.026685
"1643431"	385.03828	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+Na+CF3COOH"	136.98208
"1581272"	401.01222	"C00647"	"Pyridoxamine phosphate;Pyridoxamine 5-phosphate;Pyridoxamine 5-phosphate"	"C8H13N2O5P"	"248.0562"	"M+K+CF3COOH"	152.95602
"811641"	149.0477	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M"	0
"981892"	130.02931	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H2O-H"	-19.01839
"71227"	98.3578573333333	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-3H"	-3.021828
"506413"	148.040424	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-3H"	-3.021828
"886403"	48.6752906666667	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-3H"	-3.021828
"12634"	148.040424	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H"	-2.014552
"450735"	222.564274	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H"	-2.014552
"831090"	73.516574	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H"	-2.014552
"91081"	297.088124	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-H"	-1.007276
"526268"	446.135824	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-H"	-1.007276
"902978"	148.040424	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H"	-1.007276
"59542"	314.114671	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H+NH4"	16.019271
"498010"	463.162371	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H+NH4"	16.019271
"876909"	165.066971	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H+NH4"	16.019271
"42622"	319.070066	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H+Na"	20.974666
"481091"	468.117766	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H+Na"	20.974666
"856705"	170.022366	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H+Na"	20.974666
"1624051"	170.022366	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na-2H"	20.974666
"97299"	166.028763	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-H+Cl"	33.962126
"543421"	240.552613	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-H+Cl"	33.962126
"935843"	91.504913	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+Cl"	33.962126
"278775"	333.064802	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Cl"	34.969402
"672290"	482.112502	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+Cl"	34.969402
"1283600"	184.017102	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl"	34.969402
"28347"	335.044006	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H+K"	36.948606
"465727"	484.091706	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H+K"	36.948606
"843527"	185.996306	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H+K"	36.948606
"1567014"	185.996306	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K-2H"	36.948606
"952711"	194.045894	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+HCOOH"	44.998194
"370925"	343.093601	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+HCOOH-H"	44.998201
"350799"	357.109251	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Hac-H"	59.013851
"1496349"	208.061551	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Hac-H"	59.013851
"966806"	216.027851	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+NaCOOH"	66.980151
"117902"	184.017102	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2Cl"	69.938804
"559647"	258.540952	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2Cl"	69.938804
"1034282"	109.493252	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2Cl"	69.938804
"1253496"	227.966585	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Br"	78.918885
"1317768"	230.022572	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl+HCOOH"	80.974872
"1333682"	252.004529	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl+NaCOOH"	102.956829
"925470"	262.033286	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+CF3COOH"	112.985586
"1302303"	298.009964	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl+CF3COOH"	148.962264
"1376087"	114.035024	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H-2H2O"	-35.012676
"1383987"	132.045	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H-H2O"	-17.0027
"287805"	299.102676	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H"	1.007276
"679132"	448.150376	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H"	1.007276
"1352322"	150.054976	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H"	1.007276
"134930"	150.054976	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2H"	2.014552
"575583"	224.578826	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2H"	2.014552
"1051308"	75.531126	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2H"	2.014552
"216658"	100.372409333333	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+3H"	3.021828
"652938"	150.054976	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+3H"	3.021828
"1168148"	50.6898426666667	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+3H"	3.021828
"433972"	316.129223	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+NH4"	18.033823
"790593"	465.176923	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+NH4"	18.033823
"1689475"	167.081523	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+NH4"	18.033823
"336661"	158.5682495	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H+NH4"	19.041099
"729081"	233.0920995	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H+NH4"	19.041099
"1483627"	84.0443995	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+NH4"	19.041099
"396112"	321.084618	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Na"	22.989218
"758203"	470.132318	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+Na"	22.989218
"1605208"	172.036918	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na"	22.989218
"317432"	161.045947	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H+Na"	23.996494
"707507"	235.569797	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H+Na"	23.996494
"1472438"	86.522097	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+Na"	23.996494
"1061307"	58.0171566666667	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2H+Na"	25.00377
"1266265"	182.081186	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+CH3OH+H"	33.033486
"387027"	337.058558	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+K"	38.963158
"745834"	486.106258	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+K"	38.963158
"1542421"	188.010858	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K"	38.963158
"302878"	169.032917	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H+K"	39.970434
"702961"	243.556767	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H+K"	39.970434
"1459699"	94.509067	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+K"	39.970434
"250737"	340.129226	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+ACN+H"	42.033826
"1224659"	191.081526	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+ACN+H"	42.033826
"1209026"	96.044401	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+ACN+2H"	43.041102
"199220"	343.06656	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2Na-H"	44.97116
"643280"	492.11426	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2Na-H"	44.97116
"1145204"	194.01886	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2Na-H"	44.97116
"184481"	172.036918	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2Na"	45.978436
"621855"	246.560768	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2Na"	45.978436
"1124268"	97.513068	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2Na"	45.978436
"1407790"	65.3444706666667	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+2Na"	46.985712
"1442093"	196.060446	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+HCOOH"	47.012746
"228507"	177.06994	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+3H2O+2H"	56.04448
"1512926"	210.11249	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+IsoProp+H"	61.06479
"411886"	180.023888	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Na+K"	61.952376
"773976"	254.547738	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+Na+K"	61.952376
"1673587"	105.500038	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na+K"	61.952376
"255732"	362.111168	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+ACN+Na"	64.015768
"1229534"	213.063468	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+ACN+Na"	64.015768
"1716232"	213.086993	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+NH4+HCOOH"	64.039293
"1183771"	72.6717846666667	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+3Na"	68.967654
"1656944"	218.042388	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na+HCOOH"	68.994688
"163807"	375.01444	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2K-H"	76.91904
"604460"	524.06214	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2K-H"	76.91904
"1093345"	225.96674	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2K-H"	76.91904
"147977"	188.010858	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2K"	77.926316
"582197"	262.534708	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2K"	77.926316
"1069500"	113.487008	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2K"	77.926316
"1101856"	227.981292	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2K+H"	78.933592
"1339455"	228.068907	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+DMSO+H"	79.021207
"1006288"	232.108076	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2ACN+H"	83.060376
"1527214"	233.101708	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+IsoProp+Na+H"	84.054008
"992569"	116.557676	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2ACN+2H"	84.067652
"1587050"	234.016328	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K+HCOOH"	84.968628
"1424768"	264.047838	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+CF3COOH"	115.000138
"1156150"	137.070951	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+3ACN+2H"	125.094202
"1702421"	281.074385	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+NH4+CF3COOH"	132.026685
"1643541"	286.02978	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na+CF3COOH"	136.98208
"1581382"	302.00372	"C00650"	"4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K+CF3COOH"	152.95602
"811748"	159.0532	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M"	0
"978721"	140.03481	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-H2O-H"	-19.01839
"71337"	105.028190666667	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M-3H"	-3.021828
"507616"	158.045924	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M-3H"	-3.021828
"886513"	52.0104573333333	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-3H"	-3.021828
"13837"	158.045924	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M-2H"	-2.014552
"451209"	237.572524	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M-2H"	-2.014552
"832580"	78.519324	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-2H"	-2.014552
"92284"	317.099124	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M-H"	-1.007276
"527471"	476.152324	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M-H"	-1.007276
"905274"	158.045924	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-H"	-1.007276
"61474"	334.125671	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M-2H+NH4"	16.019271
"499212"	493.178871	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M-2H+NH4"	16.019271
"876653"	175.072471	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-2H+NH4"	16.019271
"39452"	339.081066	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M-2H+Na"	20.974666
"481201"	498.134266	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M-2H+Na"	20.974666
"856815"	180.027866	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-2H+Na"	20.974666
"1626348"	180.027866	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Na-2H"	20.974666
"97773"	176.034263	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M-H+Cl"	33.962126
"543531"	255.560863	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M-H+Cl"	33.962126
"937046"	96.507663	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-H+Cl"	33.962126
"279978"	353.075802	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+Cl"	34.969402
"672400"	512.129002	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+Cl"	34.969402
"1283710"	194.022602	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Cl"	34.969402
"26270"	355.055006	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M-2H+K"	36.948606
"469113"	514.108206	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M-2H+K"	36.948606
"845820"	196.001806	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-2H+K"	36.948606
"1564935"	196.001806	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+K-2H"	36.948606
"955006"	204.051394	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-H+HCOOH"	44.998194
"368847"	363.104601	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+HCOOH-H"	44.998201
"349452"	377.120251	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+Hac-H"	59.013851
"1496459"	218.067051	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Hac-H"	59.013851
"968011"	226.033351	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-H+NaCOOH"	66.980151
"115826"	194.022602	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+2Cl"	69.938804
"559760"	273.549202	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+2Cl"	69.938804
"1031840"	114.496002	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2Cl"	69.938804
"1251420"	237.972085	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Br"	78.918885
"1317147"	240.028072	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Cl+HCOOH"	80.974872
"1334644"	262.010029	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Cl+NaCOOH"	102.956829
"925339"	272.038786	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M-H+CF3COOH"	112.985586
"1302778"	308.015464	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Cl+CF3COOH"	148.962264
"1376197"	124.040524	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H-2H2O"	-35.012676
"1389322"	142.0505	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H-H2O"	-17.0027
"286822"	319.113676	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+H"	1.007276
"680336"	478.166876	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+H"	1.007276
"1355591"	160.060476	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H"	1.007276
"131760"	160.060476	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+2H"	2.014552
"579703"	239.587076	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+2H"	2.014552
"1050325"	80.533876	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2H"	2.014552
"218231"	107.042742666667	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+3H"	3.021828
"656328"	160.060476	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+3H"	3.021828
"1173361"	54.0250093333333	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+3H"	3.021828
"437365"	336.140223	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+NH4"	18.033823
"794349"	495.193423	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+NH4"	18.033823
"1689585"	177.087023	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+NH4"	18.033823
"340051"	168.5737495	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+H+NH4"	19.041099
"730285"	248.1003495	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+H+NH4"	19.041099
"1482647"	89.0471495	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H+NH4"	19.041099
"401692"	341.095618	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+Na"	22.989218
"757584"	500.148818	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+Na"	22.989218
"1605683"	182.042418	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Na"	22.989218
"317543"	171.051447	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+H+Na"	23.996494
"707784"	250.578047	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+H+Na"	23.996494
"1474005"	91.524847	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H+Na"	23.996494
"1063603"	61.3523233333333	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2H+Na"	25.00377
"1266375"	192.086686	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+CH3OH+H"	33.033486
"387137"	357.069558	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+K"	38.963158
"742664"	516.122758	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+K"	38.963158
"1543624"	198.016358	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+K"	38.963158
"301893"	179.038417	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+H+K"	39.970434
"695410"	258.565017	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+H+K"	39.970434
"1460781"	99.511817	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H+K"	39.970434
"251173"	360.140226	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+ACN+H"	42.033826
"1224036"	201.087026	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+ACN+H"	42.033826
"1209894"	101.047151	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+ACN+2H"	43.041102
"202611"	363.07756	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+2Na-H"	44.97116
"641079"	522.13076	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+2Na-H"	44.97116
"1144583"	204.02436	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2Na-H"	44.97116
"182403"	182.042418	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+2Na"	45.978436
"621965"	261.569018	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+2Na"	45.978436
"1127657"	102.515818	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2Na"	45.978436
"1408994"	68.6796373333333	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H+2Na"	46.985712
"1443296"	206.065946	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H+HCOOH"	47.012746
"230804"	187.07544	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+3H2O+2H"	56.04448
"1516680"	220.11799	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+IsoProp+H"	61.06479
"414182"	190.029388	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+Na+K"	61.952376
"776272"	269.555988	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+Na+K"	61.952376
"1674790"	110.502788	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Na+K"	61.952376
"256936"	382.122168	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+ACN+Na"	64.015768
"1234018"	223.068968	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+ACN+Na"	64.015768
"1718528"	223.092493	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+NH4+HCOOH"	64.039293
"1187161"	76.0069513333333	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+3Na"	68.967654
"1658146"	228.047888	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Na+HCOOH"	68.994688
"165009"	395.02544	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+2K-H"	76.91904
"603480"	554.07864	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+2K-H"	76.91904
"1091272"	235.97224	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2K-H"	76.91904
"150276"	198.016358	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"2M+2K"	77.926316
"584366"	277.542958	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"3M+2K"	77.926316
"1075441"	118.489758	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2K"	77.926316
"1102087"	237.986792	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2K+H"	78.933592
"1339566"	238.074407	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+DMSO+H"	79.021207
"1006641"	242.113576	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2ACN+H"	83.060376
"1528417"	243.107208	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+IsoProp+Na+H"	84.054008
"993772"	121.560426	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+2ACN+2H"	84.067652
"1588029"	244.021828	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+K+HCOOH"	84.968628
"1422692"	274.053338	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+H+CF3COOH"	115.000138
"1156260"	142.073701	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+3ACN+2H"	125.094202
"1700344"	291.079885	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+NH4+CF3COOH"	132.026685
"1643651"	296.03528	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+Na+CF3COOH"	136.98208
"1581492"	312.00922	"C00651"	"4-Methylene-L-glutamate"	"C6H9NO4"	"159.0532"	"M+K+CF3COOH"	152.95602
"811858"	148.0372	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M"	0
"978831"	129.01881	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"71447"	97.6841906666667	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"505540"	147.029924	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"883341"	48.3384573333333	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"12854"	147.029924	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"451319"	221.048524	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"832403"	73.011324	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"90208"	295.067124	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"525395"	443.104324	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"904291"	147.029924	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"59761"	312.093671	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"498229"	460.130871	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"875670"	164.056471	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"41749"	317.049066	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"480217"	465.086266	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"855831"	169.011866	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1621718"	169.011866	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"97519"	165.018263	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"542548"	239.036863	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"937156"	90.999663	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"274621"	331.043802	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"662667"	479.081002	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1283820"	183.006602	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"23098"	333.023006	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"465943"	481.060206	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"843743"	184.985806	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1566138"	184.985806	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"951836"	193.035394	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"368956"	341.072601	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"349562"	355.088251	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1496933"	207.051051	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"965934"	215.017351	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"114843"	183.006602	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"560963"	257.025202	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1031950"	108.988002	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1254810"	226.956085	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1313980"	229.012072	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1332568"	250.994029	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"922533"	261.022786	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1301428"	296.999464	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1376307"	113.024524	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1392713"	131.0345	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"293130"	297.081676	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"681541"	445.118876	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1356796"	149.044476	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"128955"	149.044476	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"579084"	223.063076	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1051529"	75.025876	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"217977"	99.6987426666667	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"656438"	149.044476	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1170193"	50.3530093333333	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"436745"	314.108223	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"793366"	462.145423	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1695044"	166.071023	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"337608"	157.5577495	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"731487"	231.5763495	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1485309"	83.5391495	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"396695"	319.063618	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"757693"	467.100818	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1606157"	171.026418	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"315464"	160.035447	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"707203"	234.054047	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1471564"	86.016847	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1060433"	57.6803233333333	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1266485"	181.070686	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"387247"	335.037558	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"743867"	483.074758	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1541548"	187.000358	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"300181"	168.022417	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"694427"	242.041017	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1458096"	94.003817	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"250996"	338.108226	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1224146"	190.071026	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1209003"	95.539151	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"199806"	341.04556	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"641553"	489.08276	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1145664"	193.00836	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"181419"	171.026418	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"624260"	245.045018	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1124485"	97.007818	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1409104"	65.0076373333333	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1440126"	195.049946	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"230914"	176.05944	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1515697"	209.10199	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"415385"	179.013388	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"777475"	253.031988	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1673807"	104.994788	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"258139"	360.090168	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1234128"	212.052968	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1721917"	212.076493	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1187271"	72.3349513333333	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1658256"	217.031888	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"165120"	372.99344	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"605775"	521.03064	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1092837"	224.95624	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"151479"	187.000358	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"583383"	261.018958	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1073365"	112.981758	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1100132"	226.970792	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1337122"	227.058407	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1006630"	231.097576	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1529620"	232.091208	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"992789"	116.052426	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1588386"	233.005828	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1420616"	263.037338	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1154184"	136.565701	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1699361"	280.063885	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1643761"	285.01928	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1581602"	300.99322	"C00652"	"D-Arabinono-14-lactone"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"802128"	364.042	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M"	0
"978941"	345.02361	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-H2O-H"	-19.01839
"63902"	241.687390666667	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M-3H"	-3.021828
"504557"	363.034724	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M-3H"	-3.021828
"894389"	120.340057333333	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-3H"	-3.021828
"15030"	363.034724	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M-2H"	-2.014552
"450336"	545.055724	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M-2H"	-2.014552
"831420"	181.013724	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-2H"	-2.014552
"84852"	727.076724	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M-H"	-1.007276
"526599"	1091.118724	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M-H"	-1.007276
"901123"	363.034724	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-H"	-1.007276
"51850"	744.103271	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M-2H+NH4"	16.019271
"492872"	1108.145271	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M-2H+NH4"	16.019271
"873955"	380.061271	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-2H+NH4"	16.019271
"37848"	749.058666	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M-2H+Na"	20.974666
"474128"	1113.100666	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M-2H+Na"	20.974666
"853752"	385.016666	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-2H+Na"	20.974666
"1619642"	385.016666	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Na-2H"	20.974666
"94749"	381.023063	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M-H+Cl"	33.962126
"548126"	563.044063	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M-H+Cl"	33.962126
"940184"	199.002063	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-H+Cl"	33.962126
"274731"	763.053402	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+Cl"	34.969402
"671529"	1127.095402	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+Cl"	34.969402
"1283932"	399.011402	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Cl"	34.969402
"22114"	765.032606	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M-2H+K"	36.948606
"462768"	1129.074606	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M-2H+K"	36.948606
"840573"	400.990606	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-2H+K"	36.948606
"1562968"	400.990606	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+K-2H"	36.948606
"950853"	409.040194	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-H+HCOOH"	44.998194
"367973"	773.082201	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+HCOOH-H"	44.998201
"350763"	787.097851	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+Hac-H"	59.013851
"1495585"	423.055851	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Hac-H"	59.013851
"966042"	431.022151	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-H+NaCOOH"	66.980151
"117137"	399.011402	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+2Cl"	69.938804
"558885"	581.032402	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+2Cl"	69.938804
"1030966"	216.990402	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2Cl"	69.938804
"1255285"	442.960885	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Br"	78.918885
"1315182"	445.016872	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Cl+HCOOH"	80.974872
"1333770"	466.998829	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Cl+NaCOOH"	102.956829
"923738"	477.027586	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M-H+CF3COOH"	112.985586
"1297164"	513.004264	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Cl+CF3COOH"	148.962264
"1375325"	329.029324	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H-2H2O"	-35.012676
"1391729"	347.0393	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H-H2O"	-17.0027
"289229"	729.091276	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+H"	1.007276
"678371"	1093.133276	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+H"	1.007276
"1355083"	365.049276	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H"	1.007276
"136354"	365.049276	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+2H"	2.014552
"578100"	547.070276	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+2H"	2.014552
"1051155"	183.028276	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2H"	2.014552
"218209"	243.701942666667	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+3H"	3.021828
"656919"	365.049276	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+3H"	3.021828
"1176377"	122.354609333333	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+3H"	3.021828
"437950"	746.117823	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+NH4"	18.033823
"793475"	1110.159823	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+NH4"	18.033823
"1688711"	382.075823	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+NH4"	18.033823
"340272"	373.5625495	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+H+NH4"	19.041099
"732691"	555.5835495	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+H+NH4"	19.041099
"1481770"	191.5415495	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H+NH4"	19.041099
"394259"	751.073218	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+Na"	22.989218
"754326"	1115.115218	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+Na"	22.989218
"1604202"	387.031218	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Na"	22.989218
"315943"	376.040247	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+H+Na"	23.996494
"707131"	558.061247	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+H+Na"	23.996494
"1462057"	194.019247	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H+Na"	23.996494
"1053971"	129.681923333333	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2H+Na"	25.00377
"1259295"	397.075486	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+CH3OH+H"	33.033486
"379691"	767.047158	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+K"	38.963158
"741053"	1131.089158	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+K"	38.963158
"1540198"	403.005158	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+K"	38.963158
"308677"	384.027217	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+H+K"	39.970434
"704392"	566.048217	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+H+K"	39.970434
"1459668"	202.006217	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H+K"	39.970434
"248996"	770.117826	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+ACN+H"	42.033826
"1223891"	406.075826	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+ACN+H"	42.033826
"1209481"	203.541551	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+ACN+2H"	43.041102
"201011"	773.05516	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+2Na-H"	44.97116
"642394"	1137.09716	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+2Na-H"	44.97116
"1145531"	409.01316	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2Na-H"	44.97116
"186272"	387.031218	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+2Na"	45.978436
"625465"	569.052218	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+2Na"	45.978436
"1122412"	205.010218	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2Na"	45.978436
"1409215"	137.009237333333	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H+2Na"	46.985712
"1440236"	411.054746	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H+HCOOH"	47.012746
"226658"	392.06424	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+3H2O+2H"	56.04448
"1518002"	425.10679	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+IsoProp+H"	61.06479
"416594"	395.018188	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+Na+K"	61.952376
"780143"	577.039188	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+Na+K"	61.952376
"1673917"	212.997188	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Na+K"	61.952376
"260435"	792.099768	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+ACN+Na"	64.015768
"1232779"	428.057768	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+ACN+Na"	64.015768
"1723851"	428.081293	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+NH4+HCOOH"	64.039293
"1186653"	144.336551333333	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+3Na"	68.967654
"1660554"	433.036688	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Na+HCOOH"	68.994688
"167054"	805.00304	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+2K-H"	76.91904
"607706"	1169.04504	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+2K-H"	76.91904
"1092585"	440.96104	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2K-H"	76.91904
"147215"	403.005158	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"2M+2K"	77.926316
"587868"	585.026158	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"3M+2K"	77.926316
"1070193"	220.984158	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2K"	77.926316
"1106684"	442.975592	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2K+H"	78.933592
"1337608"	443.063207	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+DMSO+H"	79.021207
"1007349"	447.102376	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2ACN+H"	83.060376
"1527544"	448.096008	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+IsoProp+Na+H"	84.054008
"991809"	224.054826	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+2ACN+2H"	84.067652
"1600536"	449.010628	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+K+HCOOH"	84.968628
"1428019"	479.042138	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+H+CF3COOH"	115.000138
"1158670"	244.568101	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+3ACN+2H"	125.094202
"1706034"	496.068685	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+NH4+CF3COOH"	132.026685
"1646064"	501.02408	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+Na+CF3COOH"	136.98208
"1581713"	516.99802	"C00655"	"Xanthosine 5-phosphate;Xanthylic acid;XMP;(9-D-Ribosylxanthine)-5-phosphate"	"C10H13N4O9P"	"364.042"	"M+K+CF3COOH"	152.95602
"808801"	146.0579	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M"	0
"974633"	127.03951	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"76044"	96.3646573333333	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"516699"	145.050624	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"892313"	47.6786906666667	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"9794"	145.050624	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"450448"	218.079574	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"820596"	72.021674	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"83869"	291.108524	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"525622"	437.166424	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"901234"	145.050624	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"55611"	308.135071	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"496265"	454.192971	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"867869"	162.077171	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"35408"	313.090466	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"474602"	459.148366	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"853862"	167.032566	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1620478"	167.032566	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"95188"	163.038963	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"537300"	236.067913	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"933002"	90.010013	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"275937"	327.085202	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"672611"	473.143102	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1286232"	181.027302	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"24412"	329.064406	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"459602"	475.122306	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"841776"	183.006506	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1564170"	183.006506	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"947683"	191.056094	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"370270"	337.114001	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"349049"	351.129651	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1498611"	205.071751	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"965059"	213.038051	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"112508"	181.027302	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"553526"	254.056252	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1032169"	107.998352	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1250657"	224.976785	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1315292"	227.032772	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1334489"	249.014729	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"915096"	259.043486	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1298367"	295.020164	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1376527"	111.045224	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1389651"	129.0552	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"293711"	293.123076	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"686135"	439.180976	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1355921"	147.065176	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"137555"	147.065176	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"580520"	220.094126	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1051872"	74.036226	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"218192"	98.3792093333333	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"659339"	147.065176	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1177702"	49.6932426666667	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"430765"	310.149623	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"792854"	456.207523	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1693194"	164.091723	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"336006"	155.5784495	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"726243"	228.6073995	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1479697"	82.5494995	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"396190"	315.105018	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"757551"	461.162918	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1605284"	169.047118	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"315082"	158.056147	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"709202"	231.085097	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1463386"	85.027197	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1056269"	57.0205566666667	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1259770"	179.091386	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"379437"	331.078958	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"744090"	477.136858	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1549428"	185.021058	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"313540"	166.043117	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"705960"	239.072067	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1461188"	93.014167	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"248743"	334.149626	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1221814"	188.091726	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1208010"	94.549501	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"199299"	337.08696	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"640314"	483.14486	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1142723"	191.02906	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"181639"	169.047118	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"625215"	242.076068	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1123616"	96.018168	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1402038"	64.3478706666667	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1441452"	193.070646	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"232244"	174.08014	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1519575"	207.12269	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"419260"	177.034088	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"780254"	250.063038	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1672935"	104.005138	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"256537"	356.131568	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1234709"	210.073668	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1723231"	210.097193	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1189678"	71.6751846666667	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1660666"	215.052588	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"164248"	369.03484	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"604899"	515.09274	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1085408"	222.97694	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"144041"	185.021058	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"582106"	258.050008	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1069572"	111.992108	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1101339"	224.991492	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1336991"	225.079107	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1008437"	229.118276	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1528754"	230.111908	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"1003959"	115.062776	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1600648"	231.026528	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1428496"	261.058038	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1161699"	135.576051	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1710524"	278.084585	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1643986"	283.03998	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1574169"	299.01392	"C00659"	"2-Aceto-2-hydroxybutanoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"810004"	169.998	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M"	0
"974378"	150.97961	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H2O-H"	-19.01839
"63080"	112.324724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-3H"	-3.021828
"505872"	168.990724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-3H"	-3.021828
"885862"	55.658724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-3H"	-3.021828
"9904"	168.990724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H"	-2.014552
"442538"	253.989724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H"	-2.014552
"820706"	83.991724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H"	-2.014552
"83979"	338.988724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-H"	-1.007276
"525732"	508.986724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-H"	-1.007276
"902437"	168.990724	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H"	-1.007276
"55721"	356.015271	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H+NH4"	16.019271
"496375"	526.013271	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H+NH4"	16.019271
"867615"	186.017271	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H+NH4"	16.019271
"35519"	360.970666	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H+Na"	20.974666
"474348"	530.968666	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H+Na"	20.974666
"853972"	190.972666	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H+Na"	20.974666
"1620588"	190.972666	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na-2H"	20.974666
"95055"	186.979063	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-H+Cl"	33.962126
"537410"	271.978063	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-H+Cl"	33.962126
"930925"	101.980063	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+Cl"	33.962126
"276047"	374.965402	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Cl"	34.969402
"670291"	544.963402	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+Cl"	34.969402
"1284156"	204.967402	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl"	34.969402
"22335"	376.944606	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M-2H+K"	36.948606
"464085"	546.942606	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M-2H+K"	36.948606
"842979"	206.946606	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-2H+K"	36.948606
"1563187"	206.946606	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K-2H"	36.948606
"947792"	214.996194	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+HCOOH"	44.998194
"366006"	384.994201	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+HCOOH-H"	44.998201
"350982"	399.009851	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Hac-H"	59.013851
"1495439"	229.011851	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Hac-H"	59.013851
"961887"	236.978151	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+NaCOOH"	66.980151
"112983"	204.967402	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2Cl"	69.938804
"551813"	289.966402	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2Cl"	69.938804
"1030090"	119.968402	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2Cl"	69.938804
"1254044"	248.916885	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Br"	78.918885
"1314305"	250.972872	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl+HCOOH"	80.974872
"1334720"	272.954829	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl+NaCOOH"	102.956829
"915206"	282.983586	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M-H+CF3COOH"	112.985586
"1297384"	318.960264	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Cl+CF3COOH"	148.962264
"1376637"	134.985324	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H-2H2O"	-35.012676
"1386481"	152.9953	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H-H2O"	-17.0027
"290541"	341.003276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H"	1.007276
"684056"	511.001276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H"	1.007276
"1356031"	171.005276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H"	1.007276
"137666"	171.005276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2H"	2.014552
"571759"	256.004276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2H"	2.014552
"1051739"	86.006276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2H"	2.014552
"217209"	114.339276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+3H"	3.021828
"658832"	171.005276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+3H"	3.021828
"1175988"	57.673276	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+3H"	3.021828
"430146"	358.029823	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+NH4"	18.033823
"792964"	528.027823	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+NH4"	18.033823
"1689296"	188.031823	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+NH4"	18.033823
"335388"	179.5185495	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H+NH4"	19.041099
"726353"	264.5175495	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H+NH4"	19.041099
"1479078"	94.5195495	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+NH4"	19.041099
"395571"	362.985218	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Na"	22.989218
"756932"	532.983218	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+Na"	22.989218
"1604665"	192.987218	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na"	22.989218
"315435"	181.996247	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H+Na"	23.996494
"708707"	266.995247	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H+Na"	23.996494
"1463134"	96.997247	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+Na"	23.996494
"1055650"	65.00059	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2H+Na"	25.00377
"1260973"	203.031486	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+CH3OH+H"	33.033486
"380276"	378.959158	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+K"	38.963158
"744200"	548.957158	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+K"	38.963158
"1546258"	208.961158	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K"	38.963158
"313776"	189.983217	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+H+K"	39.970434
"704980"	274.982217	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+H+K"	39.970434
"1460134"	104.984217	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+K"	39.970434
"246666"	382.029826	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+ACN+H"	42.033826
"1220831"	212.031826	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+ACN+H"	42.033826
"1207876"	106.519551	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+ACN+2H"	43.041102
"198680"	384.96716	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2Na-H"	44.97116
"641517"	554.96516	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2Na-H"	44.97116
"1139553"	214.96916	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2Na-H"	44.97116
"180655"	192.987218	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2Na"	45.978436
"623503"	277.986218	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2Na"	45.978436
"1123726"	107.988218	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2Na"	45.978436
"1401784"	72.327904	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+2Na"	46.985712
"1442291"	217.010746	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+HCOOH"	47.012746
"231261"	198.02024	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+3H2O+2H"	56.04448
"1520779"	231.06279	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+IsoProp+H"	61.06479
"419004"	200.974188	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+Na+K"	61.952376
"780728"	285.973188	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+Na+K"	61.952376
"1673045"	115.975188	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na+K"	61.952376
"255918"	404.011768	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+ACN+Na"	64.015768
"1235548"	234.013768	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+ACN+Na"	64.015768
"1722248"	234.037293	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+NH4+HCOOH"	64.039293
"1190881"	79.655218	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+3Na"	68.967654
"1660776"	238.992688	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na+HCOOH"	68.994688
"163265"	416.91504	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2K-H"	76.91904
"605009"	586.91304	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2K-H"	76.91904
"1088431"	246.91704	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2K-H"	76.91904
"146338"	208.961158	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"2M+2K"	77.926316
"584809"	293.960158	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"3M+2K"	77.926316
"1071507"	123.962158	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2K"	77.926316
"1103634"	248.931592	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2K+H"	78.933592
"1336491"	249.019207	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+DMSO+H"	79.021207
"1009640"	253.058376	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2ACN+H"	83.060376
"1528864"	254.052008	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+IsoProp+Na+H"	84.054008
"1003948"	127.032826	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+2ACN+2H"	84.067652
"1599665"	254.966628	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K+HCOOH"	84.968628
"1428242"	284.998138	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+H+CF3COOH"	115.000138
"1161809"	147.546101	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+3ACN+2H"	125.094202
"1710634"	302.024685	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+NH4+CF3COOH"	132.026685
"1644096"	306.98008	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+Na+CF3COOH"	136.98208
"1573550"	322.95402	"C00661"	"Glyceraldehyde 3-phosphate"	"C3H7O6P"	"169.998"	"M+K+CF3COOH"	152.95602
"809021"	260.0297	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"986928"	241.01131	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"70797"	172.345857333333	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"511453"	259.022424	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"889254"	85.6692906666667	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"7828"	259.022424	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"453950"	389.037274	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"823004"	129.007574	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"89561"	519.052124	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"525839"	779.081824	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"908019"	259.022424	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"55832"	536.078671	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"498674"	796.108371	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"874290"	276.048971	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"34535"	541.034066	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"473725"	801.063766	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"852622"	281.004366	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1620335"	281.004366	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"96495"	277.010763	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"537520"	407.025613	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"941976"	146.995913	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"281511"	555.028802	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"666395"	815.058502	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1282078"	294.999102	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"23541"	557.008006	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"462008"	817.037706	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"841996"	296.978306	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1562203"	296.978306	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"951180"	305.027894	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"364292"	565.057601	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"351090"	579.073251	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1496639"	319.043551	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"962359"	327.009851	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"112724"	294.999102	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"551923"	425.013952	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1028013"	164.984252	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1246498"	338.948585	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1314414"	341.004572	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1323165"	362.986529	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"917504"	373.015286	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1294577"	408.991964	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1373467"	225.017024	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1385496"	243.027	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"288464"	521.066676	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"678333"	781.096376	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1352859"	261.036976	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"135587"	261.036976	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"576243"	391.051826	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1050145"	131.022126	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"217318"	174.360409333333	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"652867"	261.036976	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1164799"	87.6838426666667	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"425883"	538.093223	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"786997"	798.122923	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1683207"	278.063523	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"333321"	269.5502495	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"726104"	399.5650995	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1478461"	139.5353995	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"393977"	543.048618	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"754613"	803.078318	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1603072"	283.018918	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"314936"	272.027947	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"707717"	402.042797	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1462264"	142.013097	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1053453"	95.0111566666667	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1258047"	293.063186	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"386599"	559.022558	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"747597"	819.052258	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1555015"	298.992858	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"313609"	280.014917	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"706190"	410.029767	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1460491"	150.000067	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"250669"	562.093226	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1224592"	302.063526	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1209082"	151.535401	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"199883"	565.03056	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"641628"	825.06026	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1142944"	305.00086	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"186608"	283.018918	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"625801"	413.033768	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1118372"	153.004068	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1412351"	102.338470666667	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1443499"	307.042446	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"232100"	288.05194	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1520521"	321.09449	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"418020"	291.005888	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"777923"	421.020738	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1670972"	160.991038	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"255302"	584.075168	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1229102"	324.045468	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1722356"	324.068993	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1184797"	109.665784666667	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1653239"	329.024388	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"161192"	596.97844	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"600756"	857.00814	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1084896"	336.94874	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"143179"	298.992858	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"582001"	429.007708	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1078194"	168.978008	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1105933"	338.963292	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1341226"	339.050907	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1017414"	343.090076	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1538105"	344.083708	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1005470"	172.048676	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1602451"	344.998328	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1427623"	375.029838	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1160102"	192.561951	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1710745"	392.056385	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1646395"	397.01178	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1582045"	412.98572	"C00663"	"beta-D-Glucose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"812411"	472.1819	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M"	0
"984851"	453.16351	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-H2O-H"	-19.01839
"65438"	313.780657333333	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M-3H"	-3.021828
"513749"	471.174624	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M-3H"	-3.021828
"892644"	156.386690666667	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-3H"	-3.021828
"10125"	471.174624	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M-2H"	-2.014552
"454060"	707.265574	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M-2H"	-2.014552
"826394"	235.083674	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-2H"	-2.014552
"90765"	943.356524	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M-H"	-1.007276
"529230"	1415.538424	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M-H"	-1.007276
"908129"	471.174624	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-H"	-1.007276
"59222"	960.383071	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M-2H+NH4"	16.019271
"497690"	1432.564971	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M-2H+NH4"	16.019271
"874398"	488.201171	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-2H+NH4"	16.019271
"35371"	965.338466	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M-2H+Na"	20.974666
"476755"	1437.520366	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M-2H+Na"	20.974666
"851762"	493.156566	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-2H+Na"	20.974666
"1621537"	493.156566	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Na-2H"	20.974666
"97335"	489.162963	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M-H+Cl"	33.962126
"537994"	725.253913	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M-H+Cl"	33.962126
"942578"	253.072013	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-H+Cl"	33.962126
"282347"	979.333202	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+Cl"	34.969402
"669785"	1451.515102	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+Cl"	34.969402
"1284010"	507.151302	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Cl"	34.969402
"26930"	981.312406	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M-2H+K"	36.948606
"466491"	1453.494306	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M-2H+K"	36.948606
"841013"	509.130506	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-2H+K"	36.948606
"1567781"	509.130506	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+K-2H"	36.948606
"952383"	517.180094	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-H+HCOOH"	44.998194
"371692"	989.362001	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+HCOOH-H"	44.998201
"352293"	1003.377651	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+Hac-H"	59.013851
"1500395"	531.195751	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Hac-H"	59.013851
"965386"	539.162051	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-H+NaCOOH"	66.980151
"113563"	507.151302	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+2Cl"	69.938804
"558230"	743.242252	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+2Cl"	69.938804
"1032498"	271.060352	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2Cl"	69.938804
"1252075"	551.100785	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Br"	78.918885
"1313433"	553.156772	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Cl+HCOOH"	80.974872
"1326555"	575.138729	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Cl+NaCOOH"	102.956829
"919801"	585.167486	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M-H+CF3COOH"	112.985586
"1300883"	621.144164	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Cl+CF3COOH"	148.962264
"1380138"	437.169224	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H-2H2O"	-35.012676
"1393261"	455.1792	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H-H2O"	-17.0027
"290762"	945.371076	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+H"	1.007276
"679538"	1417.552976	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+H"	1.007276
"1352605"	473.189176	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H"	1.007276
"137886"	473.189176	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+2H"	2.014552
"579635"	709.280126	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+2H"	2.014552
"1042239"	237.098226	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2H"	2.014552
"209047"	315.795209333333	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+3H"	3.021828
"654800"	473.189176	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+3H"	3.021828
"1168554"	158.401242666667	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+3H"	3.021828
"429637"	962.397623	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+NH4"	18.033823
"790997"	1434.579523	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+NH4"	18.033823
"1684776"	490.215723	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+NH4"	18.033823
"334159"	481.7024495	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+H+NH4"	19.041099
"726943"	717.7933995	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+H+NH4"	19.041099
"1478571"	245.6114995	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H+NH4"	19.041099
"395791"	967.353018	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+Na"	22.989218
"754359"	1439.534918	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+Na"	22.989218
"1603914"	495.171118	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Na"	22.989218
"314681"	484.180147	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+H+Na"	23.996494
"707831"	720.271097	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+H+Na"	23.996494
"1462746"	248.089197	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H+Na"	23.996494
"1055872"	165.728556666667	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2H+Na"	25.00377
"1258646"	505.215386	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+CH3OH+H"	33.033486
"378562"	983.326958	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+K"	38.963158
"747707"	1455.508858	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+K"	38.963158
"1555005"	511.145058	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+K"	38.963158
"313519"	492.167117	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+H+K"	39.970434
"706661"	728.258067	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+H+K"	39.970434
"1460719"	256.076167	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H+K"	39.970434
"249440"	986.397626	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+ACN+H"	42.033826
"1223244"	514.215726	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+ACN+H"	42.033826
"1208218"	257.611501	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+ACN+2H"	43.041102
"202180"	989.33496	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+2Na-H"	44.97116
"640646"	1461.51686	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+2Na-H"	44.97116
"1143054"	517.15306	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2Na-H"	44.97116
"185259"	495.171118	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+2Na"	45.978436
"625911"	731.262068	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+2Na"	45.978436
"1119575"	259.080168	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2Na"	45.978436
"1411851"	173.055870666667	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H+2Na"	46.985712
"1443607"	519.194646	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H+HCOOH"	47.012746
"232570"	500.20414	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+3H2O+2H"	56.04448
"1519540"	533.24669	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+IsoProp+H"	61.06479
"420317"	503.158088	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+Na+K"	61.952376
"780216"	739.249038	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+Na+K"	61.952376
"1669985"	267.067138	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Na+K"	61.952376
"255044"	1008.379568	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+ACN+Na"	64.015768
"1232488"	536.197668	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+ACN+Na"	64.015768
"1719189"	536.221193	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+NH4+HCOOH"	64.039293
"1185636"	180.383184666667	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+3Na"	68.967654
"1652618"	541.176588	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Na+HCOOH"	68.994688
"160206"	1021.28284	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+2K-H"	76.91904
"601959"	1493.46474	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+2K-H"	76.91904
"1084760"	549.10094	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2K-H"	76.91904
"141945"	511.145058	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"2M+2K"	77.926316
"581989"	747.236008	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"3M+2K"	77.926316
"1078304"	275.054108	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2K"	77.926316
"1106043"	551.115492	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2K+H"	78.933592
"1343522"	551.203107	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+DMSO+H"	79.021207
"1016431"	555.242276	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2ACN+H"	83.060376
"1533461"	556.235908	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+IsoProp+Na+H"	84.054008
"1002099"	278.124776	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+2ACN+2H"	84.067652
"1600611"	557.150528	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+K+HCOOH"	84.968628
"1429678"	587.182038	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+H+CF3COOH"	115.000138
"1159486"	298.638051	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+3ACN+2H"	125.094202
"1711948"	604.208585	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+NH4+CF3COOH"	132.026685
"1644318"	609.16398	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+Na+CF3COOH"	136.98208
"1582155"	625.13792	"C00664"	"5-Formiminotetrahydrofolate;5-Formimidoyltetrahydrofolate"	"C20H24N8O6"	"472.1819"	"M+K+CF3COOH"	152.95602
"810335"	339.996	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"982774"	320.97761	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"64088"	225.656724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"509485"	338.988724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"889474"	112.324724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"9142"	338.988724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"448701"	508.986724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"819210"	168.990724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"83217"	678.984724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"521317"	1018.980724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"908237"	338.988724	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"59332"	696.011271	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"498894"	1036.007271	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"877790"	356.015271	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"38036"	700.966666	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"476501"	1040.962666	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"854303"	360.970666	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1620187"	360.970666	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"95381"	356.977063	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"537375"	526.975063	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"942197"	186.979063	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"281727"	714.961402	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"668802"	1054.957402	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1282298"	374.965402	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"22667"	716.940606	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"462227"	1056.936606	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"841124"	376.944606	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1563518"	376.944606	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"949213"	384.994194	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"366699"	724.990201	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"350945"	739.005851	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1497225"	399.009851	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"962580"	406.976151	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"116593"	374.965402	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"557246"	544.963402	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1027139"	204.967402	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1254371"	418.914885	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1310261"	420.970872	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1324844"	442.952829	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"916631"	452.981586	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1297714"	488.958264	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1376968"	304.983324	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1390092"	322.9933	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"293059"	680.999276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"679285"	1020.995276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1354541"	341.003276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"135813"	341.003276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"570999"	511.001276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1040163"	171.005276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"212073"	227.671276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"650541"	341.003276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1165383"	114.339276	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"429751"	698.025823	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"790744"	1038.021823	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1684158"	358.029823	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"333176"	349.5165495	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"724503"	519.5145495	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1481599"	179.5185495	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"394203"	702.981218	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"754347"	1042.977218	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1603418"	362.985218	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"317220"	351.994247	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"710733"	521.992247	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1461720"	181.996247	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1054887"	121.66659	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1257657"	373.029486	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"377537"	718.955158	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"750003"	1058.951158	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1553159"	378.959158	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"313858"	359.981217	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"702753"	529.979217	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1459488"	189.983217	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"248451"	722.025826	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1224080"	382.029826	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1207962"	191.518551	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"201194"	724.96316	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"635284"	1064.95916	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1136600"	384.96716	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"182084"	362.985218	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"625657"	532.983218	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1119683"	192.987218	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1411961"	128.993904	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1441893"	387.008746	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"233774"	368.01824	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1519649"	401.06079	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"418240"	370.972188	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"778141"	540.970188	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1670095"	200.974188	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"255154"	744.007768	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1231505"	404.011768	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1718569"	404.035293	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1183924"	136.321218	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1651147"	408.990688	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"159100"	756.91104	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"597325"	1096.90704	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1084507"	416.91504	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"142905"	378.959158	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"582343"	548.957158	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1077321"	208.961158	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1107246"	418.929592	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1341445"	419.017207	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1016541"	423.056376	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1533571"	424.050008	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"1003302"	212.031826	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1601085"	424.964628	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1428937"	454.996138	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1162385"	232.545101	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1712058"	472.022685	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1644428"	476.97808	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1582265"	492.95202	"C00665"	"beta-D-Fructose 26-bisphosphate;D-Fructose 26-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"810445"	190.0954	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M"	0
"982884"	171.07701	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-H2O-H"	-19.01839
"62920"	125.722990666667	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M-3H"	-3.021828
"509595"	189.088124	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M-3H"	-3.021828
"889584"	62.3578573333333	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-3H"	-3.021828
"8159"	189.088124	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M-2H"	-2.014552
"449907"	284.135824	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M-2H"	-2.014552
"819323"	94.040424	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-2H"	-2.014552
"83327"	379.183524	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M-H"	-1.007276
"519970"	569.278924	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M-H"	-1.007276
"908347"	189.088124	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-H"	-1.007276
"57257"	396.210071	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M-2H+NH4"	16.019271
"497911"	586.305471	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M-2H+NH4"	16.019271
"877536"	206.114671	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-2H+NH4"	16.019271
"39239"	401.165466	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M-2H+Na"	20.974666
"478801"	591.260866	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M-2H+Na"	20.974666
"854415"	211.070066	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-2H+Na"	20.974666
"1621761"	211.070066	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Na-2H"	20.974666
"95042"	207.076463	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M-H+Cl"	33.962126
"536392"	302.124163	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M-H+Cl"	33.962126
"942307"	112.028763	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-H+Cl"	33.962126
"281594"	415.160202	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+Cl"	34.969402
"667820"	605.255602	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+Cl"	34.969402
"1281317"	225.064802	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Cl"	34.969402
"23871"	417.139406	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M-2H+K"	36.948606
"463433"	607.234806	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M-2H+K"	36.948606
"841234"	227.044006	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-2H+K"	36.948606
"1561442"	227.044006	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+K-2H"	36.948606
"950417"	235.093594	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-H+HCOOH"	44.998194
"368633"	425.189001	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+HCOOH-H"	44.998201
"352515"	439.204651	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+Hac-H"	59.013851
"1498066"	249.109251	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Hac-H"	59.013851
"964515"	257.075551	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-H+NaCOOH"	66.980151
"115610"	225.064802	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+2Cl"	69.938804
"555169"	320.112502	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+2Cl"	69.938804
"1026156"	130.017102	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2Cl"	69.938804
"1243911"	269.014285	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Br"	78.918885
"1311465"	271.070272	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Cl+HCOOH"	80.974872
"1321673"	293.052229	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Cl+NaCOOH"	102.956829
"920386"	303.080986	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M-H+CF3COOH"	112.985586
"1299649"	339.057664	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Cl+CF3COOH"	148.962264
"1377079"	155.082724	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H-2H2O"	-35.012676
"1390202"	173.0927	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H-H2O"	-17.0027
"292076"	381.198076	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+H"	1.007276
"684499"	571.293476	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+H"	1.007276
"1355381"	191.102676	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H"	1.007276
"132643"	191.102676	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+2H"	2.014552
"573296"	286.150376	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+2H"	2.014552
"1042096"	96.054976	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2H"	2.014552
"213276"	127.737542666667	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+3H"	3.021828
"650652"	191.102676	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+3H"	3.021828
"1167680"	64.3724093333333	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+3H"	3.021828
"434232"	398.224623	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+NH4"	18.033823
"796320"	588.320023	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+NH4"	18.033823
"1683904"	208.129223	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+NH4"	18.033823
"331091"	199.6159495	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+H+NH4"	19.041099
"723520"	294.6636495	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+H+NH4"	19.041099
"1477821"	104.5682495	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H+NH4"	19.041099
"392947"	403.180018	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+Na"	22.989218
"754823"	593.275418	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+Na"	22.989218
"1602917"	213.084618	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Na"	22.989218
"315873"	202.093647	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+H+Na"	23.996494
"707808"	297.141347	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+H+Na"	23.996494
"1461991"	107.045947	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H+Na"	23.996494
"1055361"	71.6997233333333	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2H+Na"	25.00377
"1259590"	223.128886	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+CH3OH+H"	33.033486
"379263"	419.153958	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+K"	38.963158
"751207"	609.249358	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+K"	38.963158
"1554973"	229.058558	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+K"	38.963158
"313968"	210.080617	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+H+K"	39.970434
"705779"	305.128317	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+H+K"	39.970434
"1456683"	115.032917	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H+K"	39.970434
"247471"	422.224626	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+ACN+H"	42.033826
"1224554"	232.129226	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+ACN+H"	42.033826
"1209793"	116.568251	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+ACN+2H"	43.041102
"201306"	425.16196	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+2Na-H"	44.97116
"641592"	615.25736	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+2Na-H"	44.97116
"1139993"	235.06656	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2Na-H"	44.97116
"182194"	213.084618	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+2Na"	45.978436
"622486"	308.132318	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+2Na"	45.978436
"1123075"	118.036918	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2Na"	45.978436
"1410978"	79.0270373333333	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H+2Na"	46.985712
"1440910"	237.108146	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H+HCOOH"	47.012746
"232790"	218.11764	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+3H2O+2H"	56.04448
"1519759"	251.16019	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+IsoProp+H"	61.06479
"416893"	221.071588	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+Na+K"	61.952376
"778251"	316.119288	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+Na+K"	61.952376
"1673486"	126.023888	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Na+K"	61.952376
"255631"	444.206568	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+ACN+Na"	64.015768
"1229431"	254.111168	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+ACN+Na"	64.015768
"1719407"	254.134693	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+NH4+HCOOH"	64.039293
"1184763"	86.3543513333333	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+3Na"	68.967654
"1650775"	259.090088	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Na+HCOOH"	68.994688
"159337"	457.10984	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+2K-H"	76.91904
"601086"	647.20524	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+2K-H"	76.91904
"1085715"	267.01444	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2K-H"	76.91904
"143505"	229.058558	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"2M+2K"	77.926316
"582334"	324.106258	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"3M+2K"	77.926316
"1075245"	134.010858	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2K"	77.926316
"1108449"	269.028992	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2K+H"	78.933592
"1343741"	269.116607	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+DMSO+H"	79.021207
"1014464"	273.155776	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2ACN+H"	83.060376
"1533683"	274.149408	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+IsoProp+Na+H"	84.054008
"1003414"	137.081526	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+2ACN+2H"	84.067652
"1601195"	275.064028	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+K+HCOOH"	84.968628
"1426856"	305.095538	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+H+CF3COOH"	115.000138
"1156053"	157.594801	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+3ACN+2H"	125.094202
"1706700"	322.122085	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+NH4+CF3COOH"	132.026685
"1644538"	327.07748	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+Na+CF3COOH"	136.98208
"1582375"	343.05142	"C00666"	"LL-26-Diaminoheptanedioate;LL-26-Diaminopimelate;LL-26-Diaminopimelic acid"	"C7H14N2O4"	"190.0954"	"M+K+CF3COOH"	152.95602
"802902"	260.0297	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"974501"	241.01131	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"69054"	172.345857333333	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"509707"	259.022424	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"886415"	85.6692906666667	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"7176"	259.022424	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"445641"	389.037274	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"820529"	129.007574	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"80153"	519.052124	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"528469"	779.081824	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"907368"	259.022424	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"54087"	536.078671	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"494740"	796.108371	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"871449"	276.048971	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"33881"	541.034066	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"473807"	801.063766	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"851246"	281.004366	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1621872"	281.004366	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"103869"	277.010763	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"543436"	407.025613	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"933671"	146.995913	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"276601"	555.028802	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"662459"	815.058502	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1277048"	294.999102	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"22885"	557.008006	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"458800"	817.037706	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"834416"	296.978306	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1556080"	296.978306	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"943149"	305.027894	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"363272"	565.057601	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"347154"	579.073251	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1494528"	319.043551	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"959031"	327.009851	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"110034"	294.999102	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"550095"	425.013952	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1022254"	164.984252	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1242440"	338.948585	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1308661"	341.004572	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1320320"	362.986529	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"912838"	373.015286	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1292102"	408.991964	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1368075"	225.017024	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1384842"	243.027	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"287811"	521.066676	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"677073"	781.096376	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1357674"	261.036976	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"134937"	261.036976	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"573405"	391.051826	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1047670"	131.022126	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"206826"	174.360409333333	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"650756"	261.036976	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1167062"	87.6838426666667	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"429968"	538.093223	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"786707"	798.122923	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1682201"	278.063523	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"334491"	269.5502495	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"724722"	399.5650995	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1477242"	139.5353995	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"393944"	543.048618	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"756030"	803.078318	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1604246"	283.018918	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"314479"	272.027947	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"707669"	402.042797	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1462833"	142.013097	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054745"	95.0111566666667	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1258974"	293.063186	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"391056"	559.022558	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"751330"	819.052258	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1555392"	298.992858	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"311645"	280.014917	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"701880"	410.029767	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1458980"	150.000067	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"250621"	562.093226	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1224183"	302.063526	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1207453"	151.535401	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"200324"	565.03056	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"640975"	825.06026	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1136831"	305.00086	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"179029"	283.018918	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"620411"	413.033768	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1121007"	153.004068	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1402344"	102.338470666667	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1433364"	307.042446	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"228526"	288.05194	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1511122"	321.09449	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"411902"	291.005888	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"773989"	421.020738	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1671410"	160.991038	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"255743"	584.075168	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1229905"	324.045468	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1716605"	324.068993	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1180868"	109.665784666667	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1651494"	329.024388	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"162730"	596.97844	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"599009"	857.00814	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1084979"	336.94874	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"145806"	298.992858	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"591937"	429.007708	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1077541"	168.978008	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1107467"	338.963292	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1347141"	339.050907	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1015670"	343.090076	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1535984"	344.083708	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1003522"	172.048676	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1600946"	344.998328	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1428794"	375.029838	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1160541"	192.561951	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1706811"	392.056385	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1639181"	397.01178	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1573738"	412.98572	"C00668"	"alpha-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"806292"	250.0623	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M"	0
"975812"	231.04391	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-H2O-H"	-19.01839
"71351"	165.700924	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M-3H"	-3.021828
"508724"	249.055024	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M-3H"	-3.021828
"885431"	82.346824	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-3H"	-3.021828
"8379"	249.055024	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M-2H"	-2.014552
"446845"	374.086174	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M-2H"	-2.014552
"820275"	124.023874	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-2H"	-2.014552
"80627"	499.117324	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M-H"	-1.007276
"528579"	749.179624	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M-H"	-1.007276
"907478"	249.055024	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-H"	-1.007276
"56384"	516.143871	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M-2H+NH4"	16.019271
"493756"	766.206171	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M-2H+NH4"	16.019271
"867185"	266.081571	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-2H+NH4"	16.019271
"35447"	521.099266	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M-2H+Na"	20.974666
"476833"	771.161566	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M-2H+Na"	20.974666
"854636"	271.036966	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-2H+Na"	20.974666
"1621982"	271.036966	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Na-2H"	20.974666
"103979"	267.043363	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M-H+Cl"	33.962126
"538080"	392.074513	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M-H+Cl"	33.962126
"933782"	142.012213	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-H+Cl"	33.962126
"274525"	535.094002	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+Cl"	34.969402
"665851"	785.156302	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+Cl"	34.969402
"1277159"	285.031702	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Cl"	34.969402
"21902"	537.073206	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M-2H+K"	36.948606
"463648"	787.135506	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M-2H+K"	36.948606
"838171"	287.010906	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-2H+K"	36.948606
"1560563"	287.010906	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+K-2H"	36.948606
"949540"	295.060494	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-H+HCOOH"	44.998194
"364476"	545.122801	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+HCOOH-H"	44.998201
"346410"	559.138451	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+Hac-H"	59.013851
"1496098"	309.076151	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Hac-H"	59.013851
"959260"	317.042451	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-H+NaCOOH"	66.980151
"110597"	285.031702	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+2Cl"	69.938804
"552102"	410.062852	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+2Cl"	69.938804
"1023457"	160.000552	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2Cl"	69.938804
"1242186"	328.981185	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Br"	78.918885
"1308771"	331.037172	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Cl+HCOOH"	80.974872
"1320227"	353.019129	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Cl+NaCOOH"	102.956829
"912340"	363.047886	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M-H+CF3COOH"	112.985586
"1292940"	399.024564	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Cl+CF3COOH"	148.962264
"1367451"	215.049624	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H-2H2O"	-35.012676
"1384707"	233.0596	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H-H2O"	-17.0027
"286827"	501.131876	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+H"	1.007276
"680342"	751.194176	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+H"	1.007276
"1353044"	251.069576	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H"	1.007276
"131765"	251.069576	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+2H"	2.014552
"574607"	376.100726	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+2H"	2.014552
"1044502"	126.038426	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2H"	2.014552
"211307"	167.715476	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+3H"	3.021828
"649774"	251.069576	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+3H"	3.021828
"1168993"	84.361376	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+3H"	3.021828
"432263"	518.158423	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+NH4"	18.033823
"787426"	768.220723	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+NH4"	18.033823
"1683404"	268.096123	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+NH4"	18.033823
"335694"	259.5828495	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+H+NH4"	19.041099
"730298"	384.6139995	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+H+NH4"	19.041099
"1478648"	134.5516995	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H+NH4"	19.041099
"394174"	523.113818	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+Na"	22.989218
"757233"	773.176118	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+Na"	22.989218
"1605331"	273.051518	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Na"	22.989218
"314756"	262.060547	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+H+Na"	23.996494
"707656"	387.091697	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+H+Na"	23.996494
"1462091"	137.029397	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H+Na"	23.996494
"1055949"	91.68869	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2H+Na"	25.00377
"1260177"	283.095786	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+CH3OH+H"	33.033486
"389344"	539.087758	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+K"	38.963158
"753018"	789.150058	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+K"	38.963158
"1555069"	289.025458	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+K"	38.963158
"307382"	270.047517	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+H+K"	39.970434
"702717"	395.078667	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+H+K"	39.970434
"1451436"	145.016367	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H+K"	39.970434
"247692"	542.158426	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+ACN+H"	42.033826
"1218213"	292.096126	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+ACN+H"	42.033826
"1204279"	146.551701	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+ACN+2H"	43.041102
"200431"	545.09576	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+2Na-H"	44.97116
"639989"	795.15806	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+2Na-H"	44.97116
"1136941"	295.03346	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2Na-H"	44.97116
"184242"	273.051518	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+2Na"	45.978436
"622344"	398.082668	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+2Na"	45.978436
"1122210"	148.020368	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2Na"	45.978436
"1403547"	99.016004	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H+2Na"	46.985712
"1432381"	297.075046	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H+HCOOH"	47.012746
"228636"	278.08454	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+3H2O+2H"	56.04448
"1514513"	311.12709	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+IsoProp+H"	61.06479
"410552"	281.038488	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+Na+K"	61.952376
"774824"	406.069638	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+Na+K"	61.952376
"1671155"	156.007338	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Na+K"	61.952376
"254026"	564.140368	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+ACN+Na"	64.015768
"1228923"	314.078068	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+ACN+Na"	64.015768
"1715623"	314.101593	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+NH4+HCOOH"	64.039293
"1180252"	106.343318	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+3Na"	68.967654
"1653791"	319.056988	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Na+HCOOH"	68.994688
"160654"	577.04364	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+2K-H"	76.91904
"599483"	827.10594	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+2K-H"	76.91904
"1088006"	326.98134	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2K-H"	76.91904
"145916"	289.025458	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"2M+2K"	77.926316
"594234"	414.056608	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"3M+2K"	77.926316
"1077651"	163.994308	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2K"	77.926316
"1107577"	328.995892	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2K+H"	78.933592
"1348346"	329.083507	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+DMSO+H"	79.021207
"1017847"	333.122676	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2ACN+H"	83.060376
"1531718"	334.116308	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+IsoProp+Na+H"	84.054008
"1001445"	167.064976	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+2ACN+2H"	84.067652
"1602596"	335.030928	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+K+HCOOH"	84.968628
"1425987"	365.062438	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+H+CF3COOH"	115.000138
"1159557"	187.578251	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+3ACN+2H"	125.094202
"1703641"	382.088985	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+NH4+CF3COOH"	132.026685
"1638198"	387.04438	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+Na+CF3COOH"	136.98208
"1572755"	403.01832	"C00669"	"gamma-L-Glutamyl-L-cysteine;L-gamma-Glutamylcysteine;5-L-Glutamyl-L-cysteine;gamma-Glutamylcysteine"	"C8H14N2O5S"	"250.0623"	"M+K+CF3COOH"	152.95602
"812962"	258.1106	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M"	0
"983214"	239.09221	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-H2O-H"	-19.01839
"73646"	171.066457333333	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M-3H"	-3.021828
"515394"	257.103324	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M-3H"	-3.021828
"891010"	85.0295906666667	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-3H"	-3.021828
"10677"	257.103324	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M-2H"	-2.014552
"448048"	386.158624	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M-2H"	-2.014552
"820385"	128.048024	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-2H"	-2.014552
"80372"	515.213924	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M-H"	-1.007276
"531969"	773.324524	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M-H"	-1.007276
"910502"	257.103324	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-H"	-1.007276
"59773"	532.240471	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M-2H+NH4"	16.019271
"497146"	790.351071	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M-2H+NH4"	16.019271
"869481"	274.129871	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-2H+NH4"	16.019271
"36287"	537.195866	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M-2H+Na"	20.974666
"480223"	795.306466	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M-2H+Na"	20.974666
"858026"	279.085266	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-2H+Na"	20.974666
"1625372"	279.085266	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Na-2H"	20.974666
"107369"	275.091663	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M-H+Cl"	33.962126
"539283"	404.146963	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M-H+Cl"	33.962126
"933892"	146.036363	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-H+Cl"	33.962126
"276822"	551.190602	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+Cl"	34.969402
"665962"	809.301202	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+Cl"	34.969402
"1279456"	293.080002	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Cl"	34.969402
"26388"	553.169806	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M-2H+K"	36.948606
"461573"	811.280406	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M-2H+K"	36.948606
"840469"	295.059206	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-2H+K"	36.948606
"1560673"	295.059206	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+K-2H"	36.948606
"949650"	303.108794	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-H+HCOOH"	44.998194
"365679"	561.219401	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+HCOOH-H"	44.998201
"345912"	575.235051	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+Hac-H"	59.013851
"1497301"	317.124451	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Hac-H"	59.013851
"959007"	325.090751	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-H+NaCOOH"	66.980151
"110055"	293.080002	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+2Cl"	69.938804
"551848"	422.135302	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+2Cl"	69.938804
"1025390"	164.024702	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2Cl"	69.938804
"1243148"	337.029485	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Br"	78.918885
"1308881"	339.085472	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Cl+HCOOH"	80.974872
"1320297"	361.067429	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Cl+NaCOOH"	102.956829
"911594"	371.096186	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M-H+CF3COOH"	112.985586
"1290498"	407.072864	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Cl+CF3COOH"	148.962264
"1367522"	223.097924	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H-2H2O"	-35.012676
"1384696"	241.1079	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H-H2O"	-17.0027
"286936"	517.228476	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+H"	1.007276
"677536"	775.339076	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+H"	1.007276
"1357894"	259.117876	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H"	1.007276
"132969"	259.117876	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+2H"	2.014552
"572530"	388.173176	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+2H"	2.014552
"1041331"	130.062576	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2H"	2.014552
"206680"	173.081009333333	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+3H"	3.021828
"645506"	259.117876	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+3H"	3.021828
"1165455"	87.0441426666667	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+3H"	3.021828
"428363"	534.255023	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+NH4"	18.033823
"787173"	792.365623	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+NH4"	18.033823
"1681436"	276.144423	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+NH4"	18.033823
"333611"	267.6311495	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+H+NH4"	19.041099
"725668"	396.6864495	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+H+NH4"	19.041099
"1479489"	138.5758495	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H+NH4"	19.041099
"395986"	539.210418	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+Na"	22.989218
"754791"	797.321018	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+Na"	22.989218
"1604711"	281.099818	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Na"	22.989218
"314303"	270.108847	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+H+Na"	23.996494
"707155"	399.164147	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+H+Na"	23.996494
"1461707"	141.053547	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H+Na"	23.996494
"1054236"	94.3714566666666	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2H+Na"	25.00377
"1258465"	291.144086	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+CH3OH+H"	33.033486
"377886"	555.184358	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+K"	38.963158
"748252"	813.294958	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+K"	38.963158
"1555143"	297.073758	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+K"	38.963158
"312959"	278.095817	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+H+K"	39.970434
"704285"	407.151117	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+H+K"	39.970434
"1457011"	149.040517	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H+K"	39.970434
"246709"	558.255026	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+ACN+H"	42.033826
"1221604"	300.144426	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+ACN+H"	42.033826
"1207670"	150.575851	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+ACN+2H"	43.041102
"201633"	561.19236	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+2Na-H"	44.97116
"640099"	819.30296	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+2Na-H"	44.97116
"1137051"	303.08176	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2Na-H"	44.97116
"184716"	281.099818	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+2Na"	45.978436
"623182"	410.155118	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+2Na"	45.978436
"1124508"	152.044518	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2Na"	45.978436
"1404751"	101.698770666667	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H+2Na"	46.985712
"1435772"	305.123346	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H+HCOOH"	47.012746
"226560"	286.13284	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+3H2O+2H"	56.04448
"1514624"	319.17539	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+IsoProp+H"	61.06479
"409935"	289.086788	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+Na+K"	61.952376
"775303"	418.142088	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+Na+K"	61.952376
"1670538"	160.031488	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Na+K"	61.952376
"252679"	580.236968	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+ACN+Na"	64.015768
"1227211"	322.126368	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+ACN+Na"	64.015768
"1715126"	322.149893	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+NH4+HCOOH"	64.039293
"1179999"	109.026084666667	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+3Na"	68.967654
"1651714"	327.105288	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Na+HCOOH"	68.994688
"160761"	593.14024	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+2K-H"	76.91904
"598378"	851.25084	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+2K-H"	76.91904
"1087023"	335.02964	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2K-H"	76.91904
"144933"	297.073758	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"2M+2K"	77.926316
"588876"	426.129058	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"3M+2K"	77.926316
"1075574"	168.018458	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2K"	77.926316
"1103315"	337.044192	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2K+H"	78.933592
"1350035"	337.131807	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+DMSO+H"	79.021207
"1020751"	341.170976	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2ACN+H"	83.060376
"1534015"	342.164608	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+IsoProp+Na+H"	84.054008
"1002649"	171.089126	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+2ACN+2H"	84.067652
"1601409"	343.079228	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+K+HCOOH"	84.968628
"1429379"	373.110738	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+H+CF3COOH"	115.000138
"1160761"	191.602401	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+3ACN+2H"	125.094202
"1707031"	390.137285	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+NH4+CF3COOH"	132.026685
"1641588"	395.09268	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+Na+CF3COOH"	136.98208
"1572865"	411.06662	"C00670"	"sn-Glycero-3-phosphocholine;Glycerophosphocholine"	"C8H21NO6P"	"258.1106"	"M+K+CF3COOH"	152.95602
"806512"	130.063	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M"	0
"980044"	111.04461	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"63544"	85.7013906666667	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"513317"	129.055724	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"890027"	42.3470573333333	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"10787"	129.055724	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"447065"	194.087224	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"820495"	64.024224	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"78587"	259.118724	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"533172"	389.181724	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"909154"	129.055724	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"58790"	276.145271	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"497256"	406.208271	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"869590"	146.082271	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"34575"	281.100666	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"477051"	411.163666	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"858136"	151.037666	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1622202"	151.037666	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"104199"	147.044063	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"538298"	212.075563	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"931814"	82.012563	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"279847"	295.095402	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"669350"	425.158402	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1279565"	165.032402	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"23216"	297.074606	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"461683"	427.137606	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"839486"	167.011606	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1558596"	167.011606	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"943684"	175.061194	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"363602"	305.124201	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"347118"	319.139851	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1496317"	189.076851	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"959848"	197.043151	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"110065"	165.032402	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"551229"	230.063902	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1025500"	100.000902	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1242528"	208.981885	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1306072"	211.037872	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1320407"	233.019829	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"912435"	243.048586	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1288546"	279.025264	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1367120"	95.050324	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1383015"	113.0603	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"288139"	261.133276	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"677281"	391.196276	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1358004"	131.070276	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H"	1.007276
"133079"	131.070276	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"570453"	196.101776	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1042534"	66.038776	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"205939"	87.7159426666667	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"645251"	131.070276	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1164835"	44.3616093333333	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"427742"	278.159823	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"787647"	408.222823	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1682516"	148.096823	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"330432"	139.5835495	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"724320"	204.6150495	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1478142"	74.5520495	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"395366"	283.115218	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"755144"	413.178218	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1602731"	153.052218	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"314478"	142.061247	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"707269"	207.092747	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1461617"	77.029747	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1054346"	51.6889233333333	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1257724"	163.096486	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"377143"	299.089158	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"748362"	429.152158	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1554801"	169.026158	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+K"	38.963158
"313802"	150.048217	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"703302"	215.079717	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1457850"	85.016717	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"246819"	302.159826	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1220621"	172.096826	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1207780"	86.552051	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"199556"	305.09716	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"634742"	435.16016	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1140441"	175.03416	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"176075"	153.052218	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"622564"	218.083718	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1126803"	88.020718	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1409236"	59.0162373333333	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1435882"	177.075746	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"231044"	158.08524	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1516918"	191.12779	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"416605"	161.039188	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"772133"	226.070688	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1671741"	96.007688	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"252786"	324.141768	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1226590"	194.078768	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1714261"	194.102293	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1179865"	66.3435513333333	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1652552"	199.057688	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"158562"	337.04504	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"598609"	467.10804	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1087497"	206.98204	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"144314"	169.026158	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"587893"	234.057658	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1076778"	103.994658	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1104519"	208.996592	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1349658"	209.084207	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1020253"	213.123376	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1535219"	214.117008	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1002759"	107.065326	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1597263"	215.031628	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1428637"	245.063138	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1160871"	127.578601	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1706048"	262.089685	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1641698"	267.04508	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1573339"	283.01902	"C00671"	"(S)-3-Methyl-2-oxopentanoic acid;(S)-3-Methyl-2-oxopentanoate;(3S)-3-Methyl-2-oxopentanoic acid;(3S)-3-Methyl-2-oxopentanoate"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"806622"	214.0242	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M"	0
"980154"	195.00581	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-H2O-H"	-19.01839
"65477"	141.675524	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M-3H"	-3.021828
"512334"	213.016924	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M-3H"	-3.021828
"886856"	70.334124	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-3H"	-3.021828
"9804"	213.016924	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H"	-2.014552
"447175"	320.029024	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H"	-2.014552
"819512"	106.004824	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H"	-2.014552
"78930"	427.041124	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M-H"	-1.007276
"530002"	641.065324	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M-H"	-1.007276
"907804"	213.016924	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-H"	-1.007276
"58900"	444.067671	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+NH4"	16.019271
"494086"	658.091871	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+NH4"	16.019271
"868607"	230.043471	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+NH4"	16.019271
"34321"	449.023066	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+Na"	20.974666
"473881"	663.047266	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+Na"	20.974666
"857153"	234.998866	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+Na"	20.974666
"1622312"	234.998866	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na-2H"	20.974666
"104309"	231.005263	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M-H+Cl"	33.962126
"538408"	338.017363	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M-H+Cl"	33.962126
"930831"	123.993163	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+Cl"	33.962126
"280321"	463.017802	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Cl"	34.969402
"668367"	677.042002	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+Cl"	34.969402
"1278582"	248.993602	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl"	34.969402
"23326"	464.997006	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+K"	36.948606
"459606"	679.021206	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+K"	36.948606
"839596"	250.972806	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+K"	36.948606
"1557613"	250.972806	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+K-2H"	36.948606
"943673"	259.022394	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+HCOOH"	44.998194
"364076"	473.046601	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+HCOOH-H"	44.998201
"347592"	487.062251	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Hac-H"	59.013851
"1496427"	273.038051	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Hac-H"	59.013851
"961416"	281.004351	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+NaCOOH"	66.980151
"110321"	248.993602	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Cl"	69.938804
"550975"	356.005702	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Cl"	69.938804
"1023423"	141.981502	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2Cl"	69.938804
"1243003"	292.943085	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Br"	78.918885
"1305818"	294.999072	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+HCOOH"	80.974872
"1320436"	316.981029	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+NaCOOH"	102.956829
"911815"	327.009786	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+CF3COOH"	112.985586
"1288850"	362.986464	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+CF3COOH"	148.962264
"1367498"	179.011524	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H-2H2O"	-35.012676
"1383130"	197.0215	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H-H2O"	-17.0027
"290436"	429.055676	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H"	1.007276
"681766"	643.079876	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H"	1.007276
"1358114"	215.031476	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H"	1.007276
"137199"	215.031476	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2H"	2.014552
"576030"	322.043576	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2H"	2.014552
"1044831"	108.019376	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2H"	2.014552
"210545"	143.690076	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H"	3.021828
"645603"	215.031476	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+3H"	3.021828
"1166038"	72.348676	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+3H"	3.021828
"429309"	446.082223	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+NH4"	18.033823
"790308"	660.106423	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+NH4"	18.033823
"1682627"	232.058023	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4"	18.033823
"330543"	223.5447495	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+NH4"	19.041099
"724299"	330.5568495	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+NH4"	19.041099
"1477880"	116.5326495	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+NH4"	19.041099
"394018"	451.037618	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na"	22.989218
"754343"	665.061818	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na"	22.989218
"1602978"	237.013418	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na"	22.989218
"314594"	226.022447	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+Na"	23.996494
"708837"	333.034547	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+Na"	23.996494
"1462778"	119.010347	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+Na"	23.996494
"1052868"	79.67599	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2H+Na"	25.00377
"1257298"	247.057686	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+CH3OH+H"	33.033486
"377412"	467.011558	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+K"	38.963158
"748473"	681.035758	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+K"	38.963158
"1554549"	252.987358	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+K"	38.963158
"313788"	234.009417	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+K"	39.970434
"703412"	341.021517	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+K"	39.970434
"1457231"	126.997317	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+K"	39.970434
"246929"	470.082226	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+H"	42.033826
"1221824"	256.058026	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+H"	42.033826
"1207526"	128.532651	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+2H"	43.041102
"199666"	473.01956	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na-H"	44.97116
"635944"	687.04376	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na-H"	44.97116
"1140551"	258.99536	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na-H"	44.97116
"176185"	237.013418	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na"	45.978436
"623403"	344.025518	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na"	45.978436
"1125820"	130.001318	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na"	45.978436
"1409346"	87.003304	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+2Na"	46.985712
"1432712"	261.036946	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+HCOOH"	47.012746
"230790"	242.04644	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H2O+2H"	56.04448
"1514842"	275.08899	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+H"	61.06479
"413435"	245.000388	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na+K"	61.952376
"772241"	352.012488	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na+K"	61.952376
"1669664"	137.988288	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+K"	61.952376
"252895"	492.064168	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+Na"	64.015768
"1231072"	278.039968	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+Na"	64.015768
"1715221"	278.063493	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+HCOOH"	64.039293
"1180584"	94.330618	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+3Na"	68.967654
"1650189"	283.018888	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+HCOOH"	68.994688
"158431"	504.96744	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K-H"	76.91904
"597375"	718.99164	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K-H"	76.91904
"1087243"	290.94324	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2K-H"	76.91904
"145517"	252.987358	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K"	77.926316
"589096"	359.999458	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K"	77.926316
"1075795"	145.975258	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2K"	77.926316
"1105722"	292.957792	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2K+H"	78.933592
"1350498"	293.045407	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+DMSO+H"	79.021207
"1019392"	297.084576	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+H"	83.060376
"1534236"	298.078208	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+Na+H"	84.054008
"1003962"	149.045926	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+2H"	84.067652
"1598466"	298.992828	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+K+HCOOH"	84.968628
"1424129"	329.024338	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+CF3COOH"	115.000138
"1160981"	169.559201	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+3ACN+2H"	125.094202
"1707251"	346.050885	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+CF3COOH"	132.026685
"1641808"	351.00628	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+CF3COOH"	136.98208
"1573085"	366.98022	"C00672"	"2-Deoxy-D-ribose 1-phosphate;2-Deoxy-alpha-D-ribose 1-phosphate"	"C5H11O7P"	"214.0242"	"M+K+CF3COOH"	152.95602
"810012"	214.0242	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M"	0
"980264"	195.00581	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H2O-H"	-19.01839
"65222"	141.675524	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-3H"	-3.021828
"510257"	213.016924	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-3H"	-3.021828
"890247"	70.334124	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-3H"	-3.021828
"12100"	213.016924	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H"	-2.014552
"447285"	320.029024	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H"	-2.014552
"819622"	106.004824	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H"	-2.014552
"80706"	427.041124	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-H"	-1.007276
"530843"	641.065324	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-H"	-1.007276
"906822"	213.016924	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H"	-1.007276
"59011"	444.067671	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+NH4"	16.019271
"494196"	658.091871	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+NH4"	16.019271
"873090"	230.043471	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+NH4"	16.019271
"34431"	449.023066	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+Na"	20.974666
"475084"	663.047266	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+Na"	20.974666
"858356"	234.998866	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+Na"	20.974666
"1622422"	234.998866	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na-2H"	20.974666
"105512"	231.005263	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-H+Cl"	33.962126
"538519"	338.017363	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-H+Cl"	33.962126
"928024"	123.993163	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+Cl"	33.962126
"276424"	463.017802	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Cl"	34.969402
"667384"	677.042002	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+Cl"	34.969402
"1277599"	248.993602	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl"	34.969402
"22343"	464.997006	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+K"	36.948606
"460809"	679.021206	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+K"	36.948606
"836425"	250.972806	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+K"	36.948606
"1558816"	250.972806	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K-2H"	36.948606
"945970"	259.022394	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+HCOOH"	44.998194
"362239"	473.046601	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+HCOOH-H"	44.998201
"346610"	487.062251	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Hac-H"	59.013851
"1493254"	273.038051	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Hac-H"	59.013851
"959091"	281.004351	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+NaCOOH"	66.980151
"110672"	248.993602	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Cl"	69.938804
"550234"	356.005702	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Cl"	69.938804
"1024626"	141.981502	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2Cl"	69.938804
"1244206"	292.943085	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Br"	78.918885
"1305077"	294.999072	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+HCOOH"	80.974872
"1320871"	316.981029	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+NaCOOH"	102.956829
"911641"	327.009786	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+CF3COOH"	112.985586
"1293016"	362.986464	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+CF3COOH"	148.962264
"1369718"	179.011524	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H-2H2O"	-35.012676
"1389766"	197.0215	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H-H2O"	-17.0027
"291640"	429.055676	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H"	1.007276
"685156"	643.079876	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H"	1.007276
"1359320"	215.031476	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H"	1.007276
"136581"	215.031476	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2H"	2.014552
"576140"	322.043576	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2H"	2.014552
"1048221"	108.019376	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2H"	2.014552
"212840"	143.690076	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H"	3.021828
"646205"	215.031476	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+3H"	3.021828
"1164327"	72.348676	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+3H"	3.021828
"427963"	446.082223	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+NH4"	18.033823
"790781"	660.106423	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+NH4"	18.033823
"1683106"	232.058023	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4"	18.033823
"332478"	223.5447495	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+NH4"	19.041099
"726366"	330.5568495	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+NH4"	19.041099
"1478727"	116.5326495	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+NH4"	19.041099
"395950"	451.037618	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na"	22.989218
"754469"	665.061818	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na"	22.989218
"1603336"	237.013418	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na"	22.989218
"314827"	226.022447	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+Na"	23.996494
"707611"	333.034547	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+Na"	23.996494
"1462040"	119.010347	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+Na"	23.996494
"1053108"	79.67599	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2H+Na"	25.00377
"1257450"	247.057686	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+CH3OH+H"	33.033486
"377404"	467.011558	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+K"	38.963158
"746395"	681.035758	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+K"	38.963158
"1553928"	252.987358	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K"	38.963158
"313656"	234.009417	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+K"	39.970434
"703523"	341.021517	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+K"	39.970434
"1458435"	126.997317	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+K"	39.970434
"247034"	470.082226	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+H"	42.033826
"1222300"	256.058026	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+H"	42.033826
"1204721"	128.532651	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+2H"	43.041102
"198682"	473.01956	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na-H"	44.97116
"633138"	687.04376	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na-H"	44.97116
"1143215"	258.99536	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na-H"	44.97116
"179575"	237.013418	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na"	45.978436
"621325"	344.025518	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na"	45.978436
"1124836"	130.001318	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na"	45.978436
"1410184"	87.003304	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+2Na"	46.985712
"1440111"	261.036946	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+HCOOH"	47.012746
"227983"	242.04644	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H2O+2H"	56.04448
"1514952"	275.08899	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+H"	61.06479
"411358"	245.000388	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na+K"	61.952376
"770650"	352.012488	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na+K"	61.952376
"1669774"	137.988288	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+K"	61.952376
"251792"	492.064168	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+Na"	64.015768
"1230090"	278.039968	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+Na"	64.015768
"1714967"	278.063493	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+HCOOH"	64.039293
"1179236"	94.330618	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+3Na"	68.967654
"1650376"	283.018888	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+HCOOH"	68.994688
"158176"	504.96744	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K-H"	76.91904
"598101"	718.99164	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K-H"	76.91904
"1087353"	290.94324	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2K-H"	76.91904
"142060"	252.987358	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K"	77.926316
"589206"	359.999458	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K"	77.926316
"1075904"	145.975258	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2K"	77.926316
"1104739"	292.957792	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2K+H"	78.933592
"1346596"	293.045407	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+DMSO+H"	79.021207
"1014030"	297.084576	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+H"	83.060376
"1536532"	298.078208	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+Na+H"	84.054008
"1001885"	149.045926	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+2H"	84.067652
"1594203"	298.992828	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K+HCOOH"	84.968628
"1423145"	329.024338	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+CF3COOH"	115.000138
"1161456"	169.559201	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+3ACN+2H"	125.094202
"1707361"	346.050885	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+CF3COOH"	132.026685
"1641918"	351.00628	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+CF3COOH"	136.98208
"1573195"	366.98022	"C00673"	"2-Deoxy-D-ribose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K+CF3COOH"	152.95602
"816319"	288.2089	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M"	0
"986934"	269.19051	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"69709"	191.131990666667	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"512554"	287.201624	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"892543"	95.0623573333333	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"13305"	287.201624	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"450675"	431.306074	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"819729"	143.097174	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"80816"	575.410524	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"530222"	863.619424	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"907296"	287.201624	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"59852"	592.437071	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"498681"	880.645971	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"875388"	304.228171	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"45113"	597.392466	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"483942"	885.601366	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"858466"	309.183566	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1629093"	309.183566	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"107809"	305.189963	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"543003"	449.294413	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"930322"	161.085513	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"276168"	611.387202	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"671869"	899.596102	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1280990"	323.178302	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"22455"	613.366406	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"459828"	901.575306	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"839816"	325.157506	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1560020"	325.157506	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"945716"	333.207094	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"365389"	621.416001	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"348178"	635.431651	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1494457"	347.222751	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"959445"	355.189051	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"113824"	323.178302	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"552288"	467.282752	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1025830"	179.073852	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1245409"	367.127785	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1305673"	369.183772	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1319953"	391.165729	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"911451"	401.194486	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1288779"	437.171164	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1367272"	253.196224	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1384770"	271.2062	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"290657"	577.425076	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"686360"	865.633976	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1358336"	289.216176	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"136691"	289.216176	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"575157"	433.320626	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1047239"	145.111726	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"212951"	193.146542666667	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"647043"	289.216176	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1166624"	97.0769093333333	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"429897"	594.451623	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"790893"	882.660523	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1683216"	306.242723	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"330765"	297.7294495	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"726840"	441.8338995	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1479927"	153.6249995	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"394965"	599.407018	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"757418"	887.615918	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1604178"	311.198118	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"315058"	300.207147	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"707233"	444.311597	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1461541"	156.102697	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1053701"	104.404223333333	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1257563"	321.242386	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"377472"	615.380958	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"746505"	903.589858	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1552946"	327.172058	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"313646"	308.194117	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"703998"	452.298567	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1458546"	164.089667	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"246051"	618.451626	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1223871"	330.242726	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1204832"	165.625001	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"199886"	621.38896	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"633978"	909.59786	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1143685"	333.18006	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"182965"	311.198118	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"622528"	455.302568	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1124948"	167.093668	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1408471"	111.731537333333	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1440586"	335.221646	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"230645"	316.23114	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1517248"	349.27369	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"418028"	319.185088	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"776835"	463.289538	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1668424"	175.080638	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"252755"	640.433568	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1230199"	352.224668	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1715078"	352.248193	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1182262"	119.058851333333	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1651057"	357.203588	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"158289"	653.33684	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"598940"	941.54574	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1087463"	365.12794	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"141848"	327.172058	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"590409"	471.276508	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1079293"	183.067608	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1107034"	367.142492	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1348893"	367.230107	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1015234"	371.269276	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1534455"	372.262908	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"1001995"	186.138276	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1592126"	373.177528	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1428969"	403.209038	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1155732"	206.651551	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1707471"	420.235585	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1645309"	425.19098	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1573305"	441.16492	"C00674"	"5alpha-Androstane-317-dione;Androstanedione"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"806955"	192.027	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M"	0
"980488"	173.00861	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"73103"	127.010724	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"507196"	191.019724	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"881351"	63.001724	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"4664"	191.019724	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"447514"	287.033224	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"827507"	95.006224	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"87499"	383.046724	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"524870"	575.073724	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"898297"	191.019724	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"52672"	400.073271	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"490046"	592.100271	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"875504"	208.046271	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"41219"	405.028666	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"484789"	597.055666	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"850203"	213.001666	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1624840"	213.001666	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"99181"	209.008063	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"538740"	305.021563	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"928113"	112.994563	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"275182"	419.023402	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"667603"	611.050402	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1275631"	226.996402	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"17095"	421.002606	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"457626"	613.029606	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"835550"	228.975606	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1557577"	228.975606	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"945094"	237.025194	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"362455"	429.052201	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"346948"	443.067851	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1494563"	251.040851	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"960289"	259.007151	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"111743"	226.996402	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"556785"	323.009902	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1031416"	130.982902	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1245160"	270.945885	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1311257"	273.001872	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1323284"	294.983829	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"918719"	305.012586	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1293241"	340.989264	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1368482"	157.014324	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1383546"	175.0243	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"283961"	385.061276	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"676500"	577.088276	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1352247"	193.034276	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H"	1.007276
"128053"	193.034276	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"566032"	289.047776	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1037581"	97.020776	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"204800"	129.025276	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"645334"	193.034276	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1164193"	65.016276	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"426008"	402.087823	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"788096"	594.114823	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1682964"	210.060823	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"332336"	201.5475495	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"723307"	297.5610495	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1478222"	105.5340495	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"395080"	407.043218	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"754612"	599.070218	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1610374"	215.016218	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"328798"	204.025247	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"715020"	300.038747	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1472122"	108.011747	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1065379"	72.34359	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1271077"	225.060486	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"392562"	423.017158	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"753559"	615.044158	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1555242"	230.990158	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+K"	38.963158
"312418"	212.012217	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"706623"	308.025717	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1460482"	115.998717	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"248354"	426.087826	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1223977"	234.060826	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1203851"	117.534051	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"201100"	429.02516	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"639570"	621.05216	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1132867"	236.99816	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"178711"	215.016218	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"618635"	311.029718	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1118132"	119.002718	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1399225"	79.670904	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1431948"	239.039746	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"223829"	220.04924	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1510797"	253.09179	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"409387"	223.003188	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"774759"	319.016688	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1669996"	126.989688	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"252745"	448.069768	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1225818"	256.042768	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1718120"	256.066293	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1180192"	86.998218	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1650202"	261.021688	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"162416"	460.97304	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"610364"	653.00004	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1097430"	268.94604	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"152056"	230.990158	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"589432"	327.003658	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1079413"	134.976658	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1112992"	270.960592	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1347920"	271.048207	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1017542"	275.087376	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1525218"	276.081008	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"991181"	138.047326	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1591151"	276.995628	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1416811"	307.027138	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1159126"	158.560601	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1709771"	324.053685	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1645421"	329.00908	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1583258"	344.98302	"C00679"	"5-Dehydro-4-deoxy-D-glucarate;(2R3S)-23-Dihydroxy-5-oxohexanedioate"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"810346"	190.0954	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M"	0
"983879"	171.07701	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-H2O-H"	-19.01839
"69933"	125.722990666667	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M-3H"	-3.021828
"505484"	189.088124	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M-3H"	-3.021828
"882920"	62.3578573333333	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-3H"	-3.021828
"5867"	189.088124	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M-2H"	-2.014552
"452001"	284.135824	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M-2H"	-2.014552
"829799"	94.040424	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-2H"	-2.014552
"86511"	379.183524	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M-H"	-1.007276
"522793"	569.278924	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M-H"	-1.007276
"896825"	189.088124	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-H"	-1.007276
"49618"	396.210071	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M-2H+NH4"	16.019271
"491247"	586.305471	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M-2H+NH4"	16.019271
"874521"	206.114671	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-2H+NH4"	16.019271
"41329"	401.165466	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M-2H+Na"	20.974666
"480888"	591.260866	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M-2H+Na"	20.974666
"853230"	211.070066	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-2H+Na"	20.974666
"1626044"	211.070066	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Na-2H"	20.974666
"102571"	207.076463	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M-H+Cl"	33.962126
"535080"	302.124163	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M-H+Cl"	33.962126
"927743"	112.028763	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-H+Cl"	33.962126
"272012"	415.160202	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+Cl"	34.969402
"665526"	605.255602	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+Cl"	34.969402
"1275376"	225.064802	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Cl"	34.969402
"17326"	417.139406	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M-2H+K"	36.948606
"457005"	607.234806	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M-2H+K"	36.948606
"834565"	227.044006	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-2H+K"	36.948606
"1557686"	227.044006	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+K-2H"	36.948606
"943136"	235.093594	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-H+HCOOH"	44.998194
"361558"	425.189001	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+HCOOH-H"	44.998201
"346329"	439.204651	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+Hac-H"	59.013851
"1493338"	249.109251	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Hac-H"	59.013851
"962588"	257.075551	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-H+NaCOOH"	66.980151
"112219"	225.064802	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+2Cl"	69.938804
"556167"	320.112502	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+2Cl"	69.938804
"1028246"	130.017102	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2Cl"	69.938804
"1247093"	269.014285	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Br"	78.918885
"1309180"	271.070272	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Cl+HCOOH"	80.974872
"1323394"	293.052229	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Cl+NaCOOH"	102.956829
"919194"	303.080986	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M-H+CF3COOH"	112.985586
"1294808"	339.057664	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Cl+CF3COOH"	148.962264
"1369326"	155.082724	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H-2H2O"	-35.012676
"1384020"	173.0927	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H-H2O"	-17.0027
"283340"	381.198076	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+H"	1.007276
"675881"	571.293476	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+H"	1.007276
"1352353"	191.102676	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H"	1.007276
"128527"	191.102676	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+2H"	2.014552
"566869"	286.150376	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+2H"	2.014552
"1038586"	96.054976	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2H"	2.014552
"206244"	127.737542666667	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+3H"	3.021828
"648721"	191.102676	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+3H"	3.021828
"1165749"	64.3724093333333	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+3H"	3.021828
"425384"	398.224623	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+NH4"	18.033823
"785928"	588.320023	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+NH4"	18.033823
"1681616"	208.129223	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+NH4"	18.033823
"330303"	199.6159495	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+H+NH4"	19.041099
"724509"	294.6636495	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+H+NH4"	19.041099
"1477965"	104.5682495	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H+NH4"	19.041099
"393609"	403.180018	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+Na"	22.989218
"755335"	593.275418	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+Na"	22.989218
"1610484"	213.084618	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Na"	22.989218
"328178"	202.093647	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+H+Na"	23.996494
"714036"	297.141347	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+H+Na"	23.996494
"1468952"	107.045947	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H+Na"	23.996494
"1065489"	71.6997233333333	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2H+Na"	25.00377
"1270448"	223.128886	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+CH3OH+H"	33.033486
"387929"	419.153958	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+K"	38.963158
"754115"	609.249358	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+K"	38.963158
"1554259"	229.058558	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+K"	38.963158
"311435"	210.080617	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+H+K"	39.970434
"706815"	305.128317	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+H+K"	39.970434
"1460592"	115.032917	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H+K"	39.970434
"249556"	422.224626	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+ACN+H"	42.033826
"1221171"	232.129226	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+ACN+H"	42.033826
"1203961"	116.568251	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+ACN+2H"	43.041102
"201938"	425.16196	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+2Na-H"	44.97116
"640773"	615.25736	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+2Na-H"	44.97116
"1133709"	235.06656	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2Na-H"	44.97116
"175175"	213.084618	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+2Na"	45.978436
"619109"	308.132318	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+2Na"	45.978436
"1117512"	118.036918	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2Na"	45.978436
"1404318"	79.0270373333333	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H+2Na"	46.985712
"1433152"	237.108146	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H+HCOOH"	47.012746
"225033"	218.11764	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+3H2O+2H"	56.04448
"1510907"	251.16019	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+IsoProp+H"	61.06479
"409985"	221.071588	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+Na+K"	61.952376
"772683"	316.119288	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+Na+K"	61.952376
"1670107"	126.023888	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Na+K"	61.952376
"253463"	444.206568	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+ACN+Na"	64.015768
"1226659"	254.111168	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+ACN+Na"	64.015768
"1717135"	254.134693	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+NH4+HCOOH"	64.039293
"1179573"	86.3543513333333	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+3Na"	68.967654
"1652739"	259.090088	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Na+HCOOH"	68.994688
"163619"	457.10984	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+2K-H"	76.91904
"610476"	647.20524	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+2K-H"	76.91904
"1098147"	267.01444	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2K-H"	76.91904
"152166"	229.058558	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"2M+2K"	77.926316
"592822"	324.106258	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"3M+2K"	77.926316
"1078430"	134.010858	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2K"	77.926316
"1110551"	269.028992	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2K+H"	78.933592
"1346935"	269.116607	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+DMSO+H"	79.021207
"1016557"	273.155776	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2ACN+H"	83.060376
"1535777"	274.149408	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+IsoProp+Na+H"	84.054008
"991291"	137.081526	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+2ACN+2H"	84.067652
"1594541"	275.064028	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+K+HCOOH"	84.968628
"1421293"	305.095538	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+H+CF3COOH"	115.000138
"1153768"	157.594801	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+3ACN+2H"	125.094202
"1708787"	322.122085	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+NH4+CF3COOH"	132.026685
"1645531"	327.07748	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+Na+CF3COOH"	136.98208
"1583368"	343.05142	"C00680"	"meso-26-Diaminoheptanedioate;meso-26-Diaminopimelate;meso-26-Diaminopimelic acid;meso-Diaminoheptanedioate"	"C7H14N2O4"	"190.0954"	"M+K+CF3COOH"	152.95602
"810456"	142.0266	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M"	0
"980708"	123.00821	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"72229"	93.677124	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"505957"	141.019324	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"879950"	46.334924	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"13281"	141.019324	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"449920"	212.032624	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"827722"	70.006024	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"86625"	283.045924	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"523996"	425.072524	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"896572"	141.019324	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"53988"	300.072471	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"493549"	442.099071	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"873542"	158.045871	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"41440"	305.027866	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"474566"	447.054466	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"850181"	163.001266	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1622872"	163.001266	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"95023"	159.007663	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"534702"	230.020963	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"928096"	87.994363	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"269936"	319.022602	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"660899"	461.049202	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1273660"	176.996002	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"16581"	321.001806	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"456383"	463.028406	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"833293"	178.975206	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1555686"	178.975206	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"942848"	187.024794	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"363533"	329.051401	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"345862"	343.067051	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1497342"	201.040451	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"960266"	209.006751	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"119996"	176.996002	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"556277"	248.009302	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1022520"	105.982702	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1244287"	220.945485	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1312570"	223.001472	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1323868"	244.983429	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"917117"	255.012186	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1291639"	290.988864	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1370161"	107.013924	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1385104"	125.0239	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"284060"	285.060476	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"680130"	427.087076	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1359760"	143.033876	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"128638"	143.033876	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"566858"	214.047176	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1038214"	72.020576	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"205384"	95.691676	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"646281"	143.033876	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1165136"	48.349476	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"427321"	302.087023	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"787223"	444.113623	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1682825"	160.060423	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"330620"	151.5471495	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"723894"	222.5604495	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1477837"	80.5338495	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"398221"	307.042418	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"767966"	449.069018	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1616062"	165.015818	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"323912"	154.024847	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"720349"	225.038147	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1476002"	83.011547	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1064505"	55.67679	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1268370"	175.060086	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"388039"	323.016358	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"747943"	465.042958	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1551087"	180.989758	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"308263"	162.011817	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"703967"	233.025117	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1457784"	90.998517	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"245292"	326.087026	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1221284"	184.060426	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1208085"	92.533851	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"201322"	329.02436	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"630313"	471.05096	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1133452"	186.99776	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"177109"	165.015818	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"614237"	236.029118	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1119808"	94.002518	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1403330"	63.004104	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1439822"	189.039346	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"228423"	170.04884	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1511017"	203.09139	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"413984"	173.002788	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"772428"	244.016088	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1668026"	101.989488	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"253460"	348.068968	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1230549"	206.042368	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1717247"	206.065893	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1183693"	70.331418	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1657963"	211.021288	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"170293"	360.97224	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"610222"	502.99884	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1095460"	218.94564	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"153372"	180.989758	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"594030"	252.003058	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1080002"	109.976458	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1111388"	220.960192	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1342670"	221.047807	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1014481"	225.086976	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1533698"	226.080608	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"991520"	113.047126	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1590275"	226.995228	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1424682"	257.026738	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1151690"	133.560401	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1701242"	274.053285	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1642361"	279.00868	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1571447"	294.98262	"C00682"	"2-Hydroxymuconate semialdehyde;2-Hydroxymuconic semialdehyde;2-Hydroxymuconate-6-semialdehyde"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"804005"	867.1313	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M"	0
"977537"	848.11291	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H2O-H"	-19.01839
"65779"	577.080257333333	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-3H"	-3.021828
"503880"	866.124024	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-3H"	-3.021828
"880028"	288.036490666667	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-3H"	-3.021828
"10474"	866.124024	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H"	-2.014552
"450030"	1299.689674	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H"	-2.014552
"824552"	432.558374	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H"	-2.014552
"86734"	1733.255324	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-H"	-1.007276
"523013"	2600.386624	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-H"	-1.007276
"896440"	866.124024	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H"	-1.007276
"53005"	1750.281871	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+NH4"	16.019271
"493659"	2617.413171	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+NH4"	16.019271
"875474"	883.150571	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+NH4"	16.019271
"40457"	1755.237266	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+Na"	20.974666
"472607"	2622.368566	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+Na"	20.974666
"851626"	888.105966	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+Na"	20.974666
"1618540"	888.105966	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na-2H"	20.974666
"94376"	884.112363	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-H+Cl"	33.962126
"534449"	1317.678013	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-H+Cl"	33.962126
"927184"	450.546713	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+Cl"	33.962126
"269315"	1769.232002	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Cl"	34.969402
"660156"	2636.363302	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Cl"	34.969402
"1273200"	902.100702	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl"	34.969402
"16326"	1771.211206	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+K"	36.948606
"456049"	2638.342506	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+K"	36.948606
"832995"	904.079906	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+K"	36.948606
"1555830"	904.079906	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K-2H"	36.948606
"942822"	912.129494	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+HCOOH"	44.998194
"362545"	1779.260801	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+HCOOH-H"	44.998201
"345897"	1793.276451	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Hac-H"	59.013851
"1495266"	926.145151	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Hac-H"	59.013851
"960619"	934.111451	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+NaCOOH"	66.980151
"116827"	902.100702	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Cl"	69.938804
"557481"	1335.666352	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Cl"	69.938804
"1022266"	468.535052	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Cl"	69.938804
"1244397"	946.050185	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Br"	78.918885
"1312680"	948.106172	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+HCOOH"	80.974872
"1323250"	970.088129	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+NaCOOH"	102.956829
"917956"	980.116886	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+CF3COOH"	112.985586
"1292842"	1016.093564	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+CF3COOH"	148.962264
"1370635"	832.118624	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H-2H2O"	-35.012676
"1385581"	850.1286	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H-H2O"	-17.0027
"285632"	1735.269876	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H"	1.007276
"680240"	2602.401176	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H"	1.007276
"1358777"	868.138576	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H"	1.007276
"127655"	868.138576	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2H"	2.014552
"566851"	1301.704226	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2H"	2.014552
"1037960"	434.572926	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2H"	2.014552
"204884"	579.094809333333	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+3H"	3.021828
"647485"	868.138576	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+3H"	3.021828
"1166704"	290.051042666667	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3H"	3.021828
"428890"	1752.296423	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+NH4"	18.033823
"786605"	2619.427723	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+NH4"	18.033823
"1682207"	885.165123	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4"	18.033823
"331218"	876.6518495	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+NH4"	19.041099
"724006"	1310.2174995	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+NH4"	19.041099
"1479649"	443.0861995	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+NH4"	19.041099
"394320"	1757.251818	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Na"	22.989218
"764795"	2624.383118	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Na"	22.989218
"1613985"	890.120518	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na"	22.989218
"324022"	879.129547	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+Na"	23.996494
"720823"	1312.695197	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+Na"	23.996494
"1475746"	445.563897	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+Na"	23.996494
"1065708"	297.378356666667	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2H+Na"	25.00377
"1269573"	900.164786	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+CH3OH+H"	33.033486
"388149"	1773.225758	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+K"	38.963158
"748053"	2640.357058	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+K"	38.963158
"1547917"	906.094458	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K"	38.963158
"307280"	887.116517	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+K"	39.970434
"704074"	1320.682167	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+K"	39.970434
"1454614"	453.550867	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+K"	39.970434
"245402"	1776.296426	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+H"	42.033826
"1221758"	909.165126	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+H"	42.033826
"1208560"	455.086201	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+2H"	43.041102
"201798"	1779.23376	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na-H"	44.97116
"630058"	2646.36506	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na-H"	44.97116
"1133197"	912.10246	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Na-H"	44.97116
"175516"	890.120518	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na"	45.978436
"613982"	1323.686168	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na"	45.978436
"1118823"	456.554868	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Na"	45.978436
"1402347"	304.705670666667	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+2Na"	46.985712
"1438838"	914.144046	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+HCOOH"	47.012746
"224524"	895.15354	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+3H2O+2H"	56.04448
"1508940"	928.19609	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+H"	61.06479
"411542"	898.107488	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Na+K"	61.952376
"771809"	1331.673138	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Na+K"	61.952376
"1665718"	464.541838	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+K"	61.952376
"252110"	1798.278368	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+Na"	64.015768
"1231752"	931.147068	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+Na"	64.015768
"1716264"	931.170593	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+HCOOH"	64.039293
"1182710"	312.032984666667	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3Na"	68.967654
"1658073"	936.125988	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+HCOOH"	68.994688
"167123"	1811.18164	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2K-H"	76.91904
"609602"	2678.31294	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2K-H"	76.91904
"1092290"	944.05034	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K-H"	76.91904
"151295"	906.094458	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2K"	77.926316
"594141"	1339.660108	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2K"	77.926316
"1079745"	472.528808	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K"	77.926316
"1108582"	946.064892	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K+H"	78.933592
"1343873"	946.152507	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+DMSO+H"	79.021207
"1014590"	950.191676	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+H"	83.060376
"1532715"	951.185308	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+Na+H"	84.054008
"1001350"	475.599476	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+2H"	84.067652
"1596945"	952.099928	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K+HCOOH"	84.968628
"1418231"	982.131438	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+CF3COOH"	115.000138
"1157266"	496.112751	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3ACN+2H"	125.094202
"1701352"	999.157985	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+CF3COOH"	132.026685
"1642471"	1004.11338	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+CF3COOH"	136.98208
"1571476"	1020.08732	"C00683"	"(S)-Methylmalonyl-CoA;(S)-Methylmalonyl-coenzyme A;(2S)-Methylmalonyl-CoA;D-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K+CF3COOH"	152.95602
"804115"	148.0372	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M"	0
"977647"	129.01881	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"66982"	97.6841906666667	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"503626"	147.029924	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"880083"	48.3384573333333	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"9491"	147.029924	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"447953"	221.048524	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"824662"	73.011324	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"85751"	295.067124	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"523123"	443.104324	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"897034"	147.029924	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"49835"	312.093671	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"494862"	460.130871	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"874127"	164.056471	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"41660"	317.049066	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"471988"	465.086266	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"849549"	169.011866	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1619444"	169.011866	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"94717"	165.018263	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"534347"	239.036863	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"927746"	90.999663	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"268209"	331.043802	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"660181"	479.081002	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1272847"	183.006602	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"15740"	333.023006	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"455913"	481.060206	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"832871"	184.985806	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1555987"	184.985806	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"943059"	193.035394	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"361411"	341.072601	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"345764"	355.088251	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1494638"	207.051051	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"959269"	215.017351	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"115111"	183.006602	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"551025"	257.025202	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1022253"	108.988002	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1244507"	226.956085	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1307685"	229.012072	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1320318"	250.994029	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"912962"	261.022786	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1290764"	296.999464	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1369285"	113.024524	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1384960"	131.0345	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"284647"	297.081676	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"677553"	445.118876	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1353055"	149.044476	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"126787"	149.044476	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"566594"	223.063076	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1038070"	75.025876	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"204874"	99.6987426666667	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"645773"	149.044476	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1164628"	50.3530093333333	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"427907"	314.108223	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"789995"	462.145423	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1682317"	166.071023	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"330476"	157.5577495	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"723141"	231.5763495	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1478787"	83.5391495	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"393212"	319.063618	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"764904"	467.100818	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1611908"	171.026418	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"319758"	160.035447	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"717647"	234.054047	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1470386"	86.016847	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1060352"	57.6803233333333	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1266401"	181.070686	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"386069"	335.037558	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"751074"	483.074758	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1548024"	187.000358	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"306296"	168.022417	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"700904"	242.041017	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1454724"	94.003817	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"245511"	338.108226	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1220775"	190.071026	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1205024"	95.539151	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"194982"	341.04556	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"631260"	489.08276	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1133306"	193.00836	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"175868"	171.026418	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"618709"	245.045018	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1120755"	97.007818	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1399053"	65.0076373333333	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1433844"	195.049946	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"221716"	176.05944	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1509285"	209.10199	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"408767"	179.013388	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"770699"	253.031988	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1665811"	104.994788	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"252216"	360.090168	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1229675"	212.052968	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1715644"	212.076493	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1179904"	72.3349513333333	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1654903"	217.031888	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"167233"	372.99344	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"610076"	521.03064	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1092400"	224.95624	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"151405"	187.000358	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"590967"	261.018958	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1074386"	112.981758	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1103223"	226.970792	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1345076"	227.058407	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1014698"	231.097576	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1532825"	232.091208	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"1002189"	116.052426	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1595962"	233.005828	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1418341"	263.037338	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1157376"	136.565701	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1701462"	280.063885	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1642581"	285.01928	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1572033"	300.99322	"C00684"	"2-Dehydro-3-deoxy-L-arabinonate;2-Dehydro-3-deoxy-L-pentonate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"805320"	546.0652	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M"	0
"986511"	527.04681	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-H2O-H"	-19.01839
"71471"	363.036190666667	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M-3H"	-3.021828
"509945"	545.057924	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M-3H"	-3.021828
"887746"	181.014457333333	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-3H"	-3.021828
"8509"	545.057924	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M-2H"	-2.014552
"450256"	818.090524	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M-2H"	-2.014552
"821497"	272.025324	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-2H"	-2.014552
"89144"	1091.123124	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M-H"	-1.007276
"527615"	1637.188324	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M-H"	-1.007276
"902135"	545.057924	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-H"	-1.007276
"51773"	1108.149671	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+NH4"	16.019271
"491696"	1654.214871	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+NH4"	16.019271
"867310"	562.084471	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-2H+NH4"	16.019271
"33024"	1113.105066	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+Na"	20.974666
"472950"	1659.170266	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+Na"	20.974666
"848840"	567.039866	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-2H+Na"	20.974666
"1620647"	567.039866	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Na-2H"	20.974666
"95353"	563.046263	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M-H+Cl"	33.962126
"534952"	836.078863	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M-H+Cl"	33.962126
"927612"	290.013663	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-H+Cl"	33.962126
"267549"	1127.099802	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+Cl"	34.969402
"660288"	1673.165002	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+Cl"	34.969402
"1272951"	581.034602	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Cl"	34.969402
"16386"	1129.079006	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+K"	36.948606
"457202"	1675.144206	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+K"	36.948606
"834153"	583.013806	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-2H+K"	36.948606
"1556667"	583.013806	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+K-2H"	36.948606
"943334"	591.063394	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-H+HCOOH"	44.998194
"363496"	1137.128601	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+HCOOH-H"	44.998201
"352124"	1151.144251	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+Hac-H"	59.013851
"1495852"	605.079051	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Hac-H"	59.013851
"962300"	613.045351	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-H+NaCOOH"	66.980151
"115221"	581.034602	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+2Cl"	69.938804
"552228"	854.067202	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+2Cl"	69.938804
"1026498"	308.002002	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2Cl"	69.938804
"1242062"	624.984085	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Br"	78.918885
"1305241"	627.040072	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+HCOOH"	80.974872
"1321646"	649.022029	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+NaCOOH"	102.956829
"913433"	659.050786	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M-H+CF3COOH"	112.985586
"1290872"	695.027464	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+CF3COOH"	148.962264
"1369397"	511.052524	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H-2H2O"	-35.012676
"1384708"	529.0625	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H-H2O"	-17.0027
"286219"	1093.137676	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+H"	1.007276
"676203"	1639.202876	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+H"	1.007276
"1351787"	547.072476	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H"	1.007276
"126167"	547.072476	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+2H"	2.014552
"566339"	820.105076	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+2H"	2.014552
"1041341"	274.039876	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2H"	2.014552
"204738"	365.050742666667	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+3H"	3.021828
"647710"	547.072476	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+3H"	3.021828
"1164745"	183.029009333333	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+3H"	3.021828
"424371"	1110.164223	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+NH4"	18.033823
"785886"	1656.229423	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+NH4"	18.033823
"1681696"	564.099023	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+NH4"	18.033823
"331556"	555.5857495	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+H+NH4"	19.041099
"727142"	828.6183495	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+H+NH4"	19.041099
"1479866"	282.5531495	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H+NH4"	19.041099
"404019"	1115.119618	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+Na"	22.989218
"762828"	1661.184818	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+Na"	22.989218
"1614212"	569.054418	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Na"	22.989218
"323889"	558.063447	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+H+Na"	23.996494
"718859"	831.096047	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+H+Na"	23.996494
"1472679"	285.030847	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H+Na"	23.996494
"1060456"	190.356323333333	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2H+Na"	25.00377
"1267604"	579.098686	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+CH3OH+H"	33.033486
"385089"	1131.093558	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+K"	38.963158
"749362"	1677.158758	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+K"	38.963158
"1553600"	585.028358	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+K"	38.963158
"310780"	566.050417	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+H+K"	39.970434
"698826"	839.083017	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+H+K"	39.970434
"1452645"	293.017817	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H+K"	39.970434
"237966"	1134.164226	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+H"	42.033826
"1219427"	588.099026	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+H"	42.033826
"1195657"	294.553151	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+2H"	43.041102
"195091"	1137.10156	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na-H"	44.97116
"628976"	1683.16676	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na-H"	44.97116
"1134145"	591.03636	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2Na-H"	44.97116
"173461"	569.054418	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na"	45.978436
"616995"	842.087018	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na"	45.978436
"1119407"	296.021818	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2Na"	45.978436
"1401838"	197.683637333333	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H+2Na"	46.985712
"1430669"	593.077946	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H+HCOOH"	47.012746
"222920"	574.08744	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+3H2O+2H"	56.04448
"1508670"	607.12999	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+H"	61.06479
"408652"	577.041388	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+Na+K"	61.952376
"770319"	850.073988	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+Na+K"	61.952376
"1669457"	304.008788	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Na+K"	61.952376
"258171"	1156.146168	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+Na"	64.015768
"1234159"	610.080968	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+Na"	64.015768
"1724141"	610.104493	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+HCOOH"	64.039293
"1187309"	205.010951333333	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+3Na"	68.967654
"1660481"	615.059888	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Na+HCOOH"	68.994688
"165158"	1169.04944	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+2K-H"	76.91904
"605810"	1715.11464	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+2K-H"	76.91904
"1088500"	622.98424	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2K-H"	76.91904
"148235"	585.028358	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"2M+2K"	77.926316
"585609"	858.060958	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"3M+2K"	77.926316
"1074495"	311.995758	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2K"	77.926316
"1105519"	624.998792	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2K+H"	78.933592
"1342997"	625.086407	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+DMSO+H"	79.021207
"1010433"	629.125576	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+H"	83.060376
"1524326"	630.119208	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+Na+H"	84.054008
"990303"	315.066426	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+2H"	84.067652
"1587928"	631.033828	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+K+HCOOH"	84.968628
"1418450"	661.065338	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+H+CF3COOH"	115.000138
"1150925"	335.579701	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+3ACN+2H"	125.094202
"1697563"	678.091885	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+CF3COOH"	132.026685
"1642693"	683.04728	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+Na+CF3COOH"	136.98208
"1583812"	699.02122	"C00688"	"dTDP-4-dehydro-beta-L-rhamnose;dTDP-4-dehydro-6-deoxy-beta-L-mannose;dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose"	"C16H24N2O15P2"	"546.0652"	"M+K+CF3COOH"	152.95602
"805430"	422.0825	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M"	0
"989525"	403.06411	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"73768"	280.381057333333	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"514429"	421.075224	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"893325"	139.686890666667	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"10806"	421.075224	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"451460"	632.116474	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"827079"	210.033974	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"91445"	843.157724	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"523350"	1265.240224	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"902246"	421.075224	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"53705"	860.184271	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"493265"	1282.266771	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"871794"	438.101771	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"39694"	865.139666	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"477068"	1287.222166	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"855236"	443.057166	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1619423"	443.057166	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"98382"	439.063563	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"539766"	650.104813	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"934011"	228.022313	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"275844"	879.134402	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"667901"	1301.216902	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1279575"	457.051902	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"21766"	881.113606	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"460961"	1303.196106	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"837305"	459.031106	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1560793"	459.031106	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"946489"	467.080694	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"364339"	889.163201	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"351141"	903.178851	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1497791"	481.096351	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"962780"	489.062651	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"112049"	457.051902	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"554165"	668.093152	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1025881"	246.010652	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1246554"	501.001385	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1309731"	503.057372	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1324311"	525.039329	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"913182"	535.068086	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1292807"	571.044764	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1369875"	387.069824	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1385913"	405.0798	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"289245"	845.172276	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"675994"	1267.254776	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1351348"	423.089776	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"126526"	423.089776	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"568643"	634.131026	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1037928"	212.048526	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"204487"	282.395609333333	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"653291"	423.089776	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1167042"	141.701442666667	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"432502"	862.198823	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"786936"	1284.281323	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1683267"	440.116323	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"330041"	431.6030495	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"725430"	642.6442995	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1479249"	220.5617995	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"406316"	867.154218	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"769750"	1289.236718	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1617239"	445.071718	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"328012"	434.080747	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"721159"	645.121997	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1474980"	223.039497	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1066040"	149.028756666667	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1267717"	455.115986	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"385200"	883.128158	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"747289"	1305.210658	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1551529"	461.045658	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"311984"	442.067717	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"697845"	653.108967	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1460412"	231.026467	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"244640"	886.198826	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1219537"	464.116326	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1201236"	232.561801	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"198483"	889.13616	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"635125"	1311.21866	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1138631"	467.05366	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"178641"	445.071718	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"616012"	656.112968	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1123164"	234.030468	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1403045"	156.356070666667	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1432973"	469.095246	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"226678"	450.10474	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1508784"	483.14729	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"408832"	453.058688	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"770794"	664.099938	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1665951"	242.017438	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"257182"	908.180768	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1230989"	486.098268	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1724250"	486.121793	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1187418"	163.683384666667	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1660592"	491.077188	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"166002"	921.08404	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"606653"	1343.16654	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1094809"	499.00154	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"143974"	461.045658	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"591187"	672.086908	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1069747"	250.004408	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1102349"	501.016092	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1339827"	501.103707	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1011639"	505.142876	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1529762"	506.136508	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"990092"	253.075076	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1592901"	507.051128	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1419655"	537.082638	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1157596"	273.588351	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1699493"	554.109185	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1635264"	559.06458	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1573349"	575.03852	"C00689"	"alphaalpha-Trehalose 6-phosphate;Trehalose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"816359"	178.0477	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M"	0
"988556"	159.02931	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"77166"	117.691190666667	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"511258"	177.040424	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"887967"	58.3419573333333	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"5448"	177.040424	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"445010"	266.064274	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"821718"	88.016574	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"87180"	355.088124	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"523458"	533.135824	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"899077"	177.040424	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"52356"	372.114671	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"490822"	550.162371	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"866193"	194.066971	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"36525"	377.070066	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"473898"	555.117766	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"850363"	199.022366	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1625608"	199.022366	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"97399"	195.028763	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"540606"	284.052613	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"935215"	106.004913	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"271949"	391.064802	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"664732"	569.112502	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1281873"	213.017102	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"24428"	393.044006	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"459614"	571.091706	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"836687"	214.996306	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1560906"	214.996306	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"948792"	223.045894	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"368100"	401.093601	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"353078"	415.109251	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1497537"	237.061551	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"965082"	245.027851	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"115083"	213.017102	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"555737"	302.040952	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1028911"	123.993252	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1251771"	256.966585	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1312030"	259.022572	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1326246"	281.004529	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"917305"	291.033286	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1288907"	327.009964	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1367553"	143.035024	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1384199"	161.045	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"286439"	357.102676	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"675774"	535.150376	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1352412"	179.054976	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"126069"	179.054976	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"566029"	268.078826	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1038037"	90.031126	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"204517"	119.705742666667	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"645744"	179.054976	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1167152"	60.3565093333333	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"428237"	374.129223	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"789234"	552.176923	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1683377"	196.081523	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"330317"	187.5682495	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"732832"	276.5920995	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1487745"	98.5443995	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"408346"	379.084618	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"769498"	557.132318	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1616626"	201.036918	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"327757"	190.045947	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"719084"	279.069797	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1475460"	101.022097	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1067247"	67.6838233333333	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1268922"	211.081186	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"386404"	395.058558	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"748492"	573.106258	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1550547"	217.010858	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"311003"	198.032917	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"703425"	287.056767	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1459429"	109.009067	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"245845"	398.129226	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1218556"	220.081526	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1203534"	110.544401	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"196406"	401.06656	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"633776"	579.11426	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1133637"	223.01886	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"173278"	201.036918	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"614298"	290.060768	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1117807"	112.013068	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1400967"	75.0111373333333	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1432717"	225.060446	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"224967"	206.06994	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1509137"	239.11249	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"408816"	209.023888	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"770121"	298.047738	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1671868"	120.000038	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"257663"	420.111168	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1232195"	242.063468	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1726184"	242.086993	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1187532"	82.3384513333333	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1658518"	247.042388	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"159546"	433.01444	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"600563"	611.06214	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1088723"	254.96674	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"143715"	217.010858	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"582789"	306.034708	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1069364"	127.987008	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1106833"	256.981292	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1337018"	257.068907	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1011747"	261.108076	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1532060"	262.101708	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"990608"	131.057676	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1590825"	263.016328	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1416848"	293.047838	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1151145"	151.570951	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1699605"	310.074385	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1635619"	315.02978	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1584032"	331.00372	"C00691"	"24635-Pentahydroxycyclohexanone;scyllo-Inosose;2-Inosose"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"815864"	879.1824	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M"	0
"987937"	860.16401	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-H2O-H"	-19.01839
"75090"	585.114324	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M-3H"	-3.021828
"506994"	878.175124	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M-3H"	-3.021828
"888077"	292.053524	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-3H"	-3.021828
"5560"	878.175124	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M-2H"	-2.014552
"444026"	1317.766324	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M-2H"	-2.014552
"826207"	438.583924	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-2H"	-2.014552
"82918"	1757.357524	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M-H"	-1.007276
"521747"	2636.539924	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M-H"	-1.007276
"900277"	878.175124	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-H"	-1.007276
"49550"	1774.384071	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M-2H+NH4"	16.019271
"496399"	2653.566471	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M-2H+NH4"	16.019271
"865452"	895.201671	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-2H+NH4"	16.019271
"32016"	1779.339466	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M-2H+Na"	20.974666
"471731"	2658.521866	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M-2H+Na"	20.974666
"850350"	900.157066	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-2H+Na"	20.974666
"1625722"	900.157066	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Na-2H"	20.974666
"98240"	896.163463	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M-H+Cl"	33.962126
"540718"	1335.754663	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M-H+Cl"	33.962126
"931680"	456.572263	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-H+Cl"	33.962126
"273151"	1793.334202	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+Cl"	34.969402
"665209"	2672.516602	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+Cl"	34.969402
"1281985"	914.151802	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Cl"	34.969402
"21262"	1795.313406	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M-2H+K"	36.948606
"459727"	2674.495806	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M-2H+K"	36.948606
"836436"	916.131006	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-2H+K"	36.948606
"1564300"	916.131006	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+K-2H"	36.948606
"945987"	924.180594	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-H+HCOOH"	44.998194
"368213"	1803.363001	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+HCOOH-H"	44.998201
"354288"	1817.378651	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+Hac-H"	59.013851
"1500933"	938.196251	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Hac-H"	59.013851
"965192"	946.162551	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-H+NaCOOH"	66.980151
"118474"	914.151802	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+2Cl"	69.938804
"556943"	1353.743002	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+2Cl"	69.938804
"1025013"	474.560602	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2Cl"	69.938804
"1252974"	958.101285	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Br"	78.918885
"1314330"	960.157272	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Cl+HCOOH"	80.974872
"1329636"	982.139229	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Cl+NaCOOH"	102.956829
"918506"	992.167986	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M-H+CF3COOH"	112.985586
"1289019"	1028.144664	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Cl+CF3COOH"	148.962264
"1368271"	844.169724	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H-2H2O"	-35.012676
"1382970"	862.1797	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H-H2O"	-17.0027
"283630"	1759.372076	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+H"	1.007276
"677876"	2638.554476	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+H"	1.007276
"1351832"	880.189676	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H"	1.007276
"126500"	880.189676	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+2H"	2.014552
"566427"	1319.780876	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+2H"	2.014552
"1037905"	440.598476	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2H"	2.014552
"208484"	587.128876	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+3H"	3.021828
"651325"	880.189676	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+3H"	3.021828
"1166169"	294.068076	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+3H"	3.021828
"426162"	1776.398623	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+NH4"	18.033823
"790439"	2655.581023	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+NH4"	18.033823
"1688960"	897.216223	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+NH4"	18.033823
"343439"	888.7029495	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+H+NH4"	19.041099
"738178"	1328.2941495	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+H+NH4"	19.041099
"1490781"	449.1117495	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H+NH4"	19.041099
"407271"	1781.354018	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+Na"	22.989218
"767544"	2660.536418	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+Na"	22.989218
"1615643"	902.171618	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Na"	22.989218
"323490"	891.180647	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+H+Na"	23.996494
"717007"	1330.771847	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+H+Na"	23.996494
"1475205"	451.589447	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H+Na"	23.996494
"1066263"	301.39539	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2H+Na"	25.00377
"1270493"	912.215886	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+CH3OH+H"	33.033486
"389798"	1797.327958	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+K"	38.963158
"748606"	2676.510358	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+K"	38.963158
"1546285"	918.145558	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+K"	38.963158
"302367"	899.167617	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+H+K"	39.970434
"701348"	1338.758817	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+H+K"	39.970434
"1451890"	459.576417	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H+K"	39.970434
"241585"	1800.398626	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+ACN+H"	42.033826
"1212103"	921.216226	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+ACN+H"	42.033826
"1202548"	461.111751	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+ACN+2H"	43.041102
"197608"	1803.33596	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+2Na-H"	44.97116
"634979"	2682.51836	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+2Na-H"	44.97116
"1132164"	924.15356	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2Na-H"	44.97116
"173178"	902.171618	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+2Na"	45.978436
"613924"	1341.762818	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+2Na"	45.978436
"1115884"	462.580418	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2Na"	45.978436
"1402535"	308.722704	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H+2Na"	46.985712
"1430760"	926.195146	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H+HCOOH"	47.012746
"221429"	907.20464	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+3H2O+2H"	56.04448
"1509855"	940.24719	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+IsoProp+H"	61.06479
"412463"	910.158588	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+Na+K"	61.952376
"771276"	1349.749788	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+Na+K"	61.952376
"1667240"	470.567388	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Na+K"	61.952376
"255220"	1822.380568	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+ACN+Na"	64.015768
"1233399"	943.198168	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+ACN+Na"	64.015768
"1722286"	943.221693	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+NH4+HCOOH"	64.039293
"1185453"	316.050018	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+3Na"	68.967654
"1657533"	948.177088	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Na+HCOOH"	68.994688
"157589"	1835.28384	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+2K-H"	76.91904
"598852"	2714.46624	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+2K-H"	76.91904
"1088832"	956.10144	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2K-H"	76.91904
"143462"	918.145558	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"2M+2K"	77.926316
"581640"	1357.736758	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"3M+2K"	77.926316
"1069598"	478.554358	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2K"	77.926316
"1104754"	958.115992	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2K+H"	78.933592
"1335633"	958.203607	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+DMSO+H"	79.021207
"1005691"	962.242776	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2ACN+H"	83.060376
"1524272"	963.236408	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+IsoProp+Na+H"	84.054008
"990233"	481.625026	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+2ACN+2H"	84.067652
"1589112"	964.151028	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+K+HCOOH"	84.968628
"1416593"	994.182538	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+H+CF3COOH"	115.000138
"1148337"	502.138301	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+3ACN+2H"	125.094202
"1701905"	1011.209085	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+NH4+CF3COOH"	132.026685
"1646303"	1016.16448	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+Na+CF3COOH"	136.98208
"1584142"	1032.13842	"C00692"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate"	"C28H43N5O23P2"	"879.1824"	"M+K+CF3COOH"	152.95602
"815608"	408.2876	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M"	0
"982581"	389.26921	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"76292"	271.184457333333	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"509292"	407.280324	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"888190"	135.088590666667	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"6763"	407.280324	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"447418"	611.424124	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"817928"	203.136524	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"80475"	815.567924	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"521855"	1223.855524	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"899658"	407.280324	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"53667"	832.594471	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"491040"	1240.882071	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"867750"	424.306871	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"32979"	837.549866	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"477038"	1245.837466	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"853019"	429.262266	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1625832"	429.262266	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"106735"	425.268663	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"539734"	629.412463	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"938715"	221.124863	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"277272"	851.544602	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"670788"	1259.832202	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1285378"	443.257002	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"29026"	853.523806	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"466399"	1261.811406	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"846387"	445.236206	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1561130"	445.236206	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"949013"	453.285794	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"368322"	861.573401	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"353301"	875.589051	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1499950"	467.301451	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"959958"	475.267751	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"110186"	443.257002	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"552678"	647.400802	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1021678"	239.113202	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1251993"	487.206485	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1311159"	489.262472	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1329748"	511.244429	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"915339"	521.273186	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1293141"	557.249864	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1369116"	373.274924	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1385518"	391.2849	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"289576"	817.582476	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"680904"	1225.870076	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1358347"	409.294876	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"133423"	409.294876	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"576264"	613.438676	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1040691"	205.151076	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"207501"	273.199009333333	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"645722"	409.294876	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1164455"	137.103142666667	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"425541"	834.609023	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"791641"	1242.896623	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1685786"	426.321423	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"342820"	417.8081495	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"738165"	621.9519495	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1492348"	213.6643495	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"407383"	839.564418	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"767890"	1247.852018	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1611377"	431.276818	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"327247"	420.285847	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"720638"	624.429647	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1473123"	216.142047	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1063821"	144.430456666667	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1268779"	441.321086	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"387716"	855.538358	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"746526"	1263.825958	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1546396"	447.250758	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"311223"	428.272817	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"701456"	632.416617	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1455280"	224.129017	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"244975"	858.609026	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1214405"	450.321426	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1204848"	225.664351	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"189332"	861.54636	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"631445"	1269.83396	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1131910"	453.25876	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"172882"	431.276818	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"615980"	635.420618	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1116201"	227.133018	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1398832"	151.757770666667	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1430870"	455.300346	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"222633"	436.30984	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1510331"	469.35239	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"410018"	439.263788	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"771385"	643.407588	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1671363"	235.119988	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"256423"	880.590968	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1233142"	472.303368	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1721301"	472.326893	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1188844"	159.085084666667	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1659465"	477.282288	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"162319"	893.49424	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"597171"	1301.78184	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1085650"	485.20664	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"141454"	447.250758	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"581920"	651.394558	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1068654"	243.106958	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1100273"	487.221192	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1336510"	487.308807	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1006133"	491.347976	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1524352"	492.341608	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"990021"	246.177626	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1589222"	493.256228	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1415610"	523.287738	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1148451"	266.690901	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1698001"	540.314285	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1637302"	545.26968	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1574413"	561.24362	"C00695"	"Cholic acid;Cholate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanate;3alpha7alpha12alpha-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"816803"	352.225	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M"	0
"989253"	333.20661	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"74212"	233.809390666667	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"512682"	351.217724	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"890486"	116.401057333333	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"7967"	351.217724	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"449714"	527.330224	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"818774"	175.105224	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"82046"	703.442724	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"521968"	1055.667724	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"900501"	351.217724	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"52321"	720.469271	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"492975"	1072.694271	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"866769"	368.244271	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"36493"	725.424666	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"480794"	1077.649666	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"856410"	373.199666	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1631046"	373.199666	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"106847"	369.206063	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"549079"	545.318563	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"941500"	193.093563	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"280299"	739.419402	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"673814"	1091.644402	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1287802"	387.194402	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"30962"	741.398606	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"469789"	1093.623606	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"846497"	389.173606	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1561240"	389.173606	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"949123"	397.223194	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"368432"	749.448201	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"350131"	763.463851	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1501153"	411.238851	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"964321"	419.205151	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"117602"	387.194402	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"558256"	563.306902	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1028150"	211.081902	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1251009"	431.143885	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1315642"	433.199872	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1328764"	455.181829	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"917637"	465.210586	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1291064"	501.187264	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1372506"	317.212324	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1394375"	335.2223	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"292967"	705.457276	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"683201"	1057.682276	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1359552"	353.232276	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H"	1.007276
"134627"	353.232276	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"574187"	529.344776	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1042991"	177.119776	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"208705"	235.823942666667	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"652639"	353.232276	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1165297"	118.415609333333	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"424921"	722.483823	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"785832"	1074.708823	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1686991"	370.258823	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"343658"	361.7455495	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"737785"	537.8580495	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1486988"	185.6330495	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"405670"	727.439218	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"764478"	1079.664218	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1614767"	375.214218	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"328082"	364.223247	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"720869"	540.335747	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1474323"	188.110747	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1065022"	125.742923333333	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1269250"	385.258486	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"388918"	743.413158	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"749913"	1095.638158	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1547595"	391.188158	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+K"	38.963158
"306958"	372.210217	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"698285"	548.322717	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1449923"	196.097717	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"240712"	746.483826	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1218890"	394.258826	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1201678"	197.633051	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"188571"	749.42116	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"628588"	1101.64616	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1132510"	397.19616	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"176165"	375.214218	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"613209"	551.326718	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1115940"	199.101718	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1401663"	133.070237333333	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1431957"	399.237746	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"220090"	380.24724	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1509833"	413.28979	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"409643"	383.201188	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"770152"	559.313688	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1665958"	207.088688	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"254710"	768.465768	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1227054"	416.240768	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1720318"	416.264293	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1187859"	140.397551333333	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1657023"	421.219688	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"165710"	781.36904	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"599437"	1133.59404	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1084305"	429.14404	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"142346"	391.188158	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"585067"	567.300658	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1069579"	215.075658	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1100721"	431.158592	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1335887"	431.246207	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1008796"	435.285376	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1524611"	436.279008	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"991547"	218.146326	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1590426"	437.193628	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1419003"	467.225138	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1148561"	238.659601	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1698111"	484.251685	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1643245"	489.20708	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1574523"	505.18102	"C00696"	"Prostaglandin D2;(5Z13E)-(15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;(5Z13E15S)-9alpha15-Dihydroxy-11-oxoprosta-513-dienoate;PGD2"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"811450"	28.0061	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M"	0
"983895"	8.98771	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-H2O-H"	-19.01839
"76513"	17.6634573333333	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M-3H"	-3.021828
"512793"	26.998824	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M-3H"	-3.021828
"886221"	8.32809066666667	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-3H"	-3.021828
"6983"	26.998824	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M-2H"	-2.014552
"449828"	41.001874	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M-2H"	-2.014552
"825444"	12.995774	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-2H"	-2.014552
"84340"	55.004924	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M-H"	-1.007276
"526087"	83.011024	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M-H"	-1.007276
"900245"	26.998824	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-H"	-1.007276
"50973"	72.031471	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M-2H+NH4"	16.019271
"493085"	100.037571	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M-2H+NH4"	16.019271
"868702"	44.025371	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-2H+NH4"	16.019271
"35510"	76.986866	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M-2H+Na"	20.974666
"478717"	104.992966	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M-2H+Na"	20.974666
"856520"	48.980766	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-2H+Na"	20.974666
"1630427"	48.980766	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Na-2H"	20.974666
"108050"	44.987163	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M-H+Cl"	33.962126
"549069"	58.990213	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M-H+Cl"	33.962126
"940881"	30.984113	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-H+Cl"	33.962126
"281503"	90.981602	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+Cl"	34.969402
"674046"	118.987702	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+Cl"	34.969402
"1288073"	62.975502	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Cl"	34.969402
"29246"	92.960806	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M-2H+K"	36.948606
"468808"	120.966906	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M-2H+K"	36.948606
"844420"	64.954706	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-2H+K"	36.948606
"1567910"	64.954706	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+K-2H"	36.948606
"954335"	73.004294	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-H+HCOOH"	44.998194
"371821"	101.010401	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+HCOOH-H"	44.998201
"355710"	115.026051	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+Hac-H"	59.013851
"1503449"	87.019951	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Hac-H"	59.013851
"967711"	94.986251	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-H+NaCOOH"	66.980151
"119899"	62.975502	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+2Cl"	69.938804
"561282"	76.978552	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+2Cl"	69.938804
"1030448"	48.972452	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2Cl"	69.938804
"1251118"	106.924985	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Br"	78.918885
"1317941"	108.980972	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Cl+HCOOH"	80.974872
"1331061"	130.962929	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Cl+NaCOOH"	102.956829
"923214"	140.991686	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M-H+CF3COOH"	112.985586
"1299922"	176.968364	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Cl+CF3COOH"	148.962264
"1372616"	-7.006576	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H-2H2O"	-35.012676
"1396308"	11.0034	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H-H2O"	-17.0027
"286518"	57.019476	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+H"	1.007276
"685499"	85.025576	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+H"	1.007276
"1364035"	29.013376	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H"	1.007276
"131457"	29.013376	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+2H"	2.014552
"573204"	43.016426	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+2H"	2.014552
"1044194"	15.010326	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2H"	2.014552
"211004"	19.6780093333333	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+3H"	3.021828
"651659"	29.013376	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+3H"	3.021828
"1165408"	10.3426426666667	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+3H"	3.021828
"426493"	74.046023	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+NH4"	18.033823
"786268"	102.052123	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+NH4"	18.033823
"1687101"	46.039923	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+NH4"	18.033823
"343041"	37.5266495	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+H+NH4"	19.041099
"736556"	51.5296995	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+H+NH4"	19.041099
"1487097"	23.5235995	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H+NH4"	19.041099
"407240"	79.001418	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+Na"	22.989218
"769209"	107.007518	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+Na"	22.989218
"1613784"	50.995318	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Na"	22.989218
"326006"	40.004347	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+H+Na"	23.996494
"720614"	54.007397	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+H+Na"	23.996494
"1474806"	26.001297	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H+Na"	23.996494
"1067197"	17.6699566666667	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2H+Na"	25.00377
"1268635"	61.039586	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+CH3OH+H"	33.033486
"389396"	94.975358	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+K"	38.963158
"751118"	122.981458	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+K"	38.963158
"1544425"	66.969258	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+K"	38.963158
"307068"	47.991317	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+H+K"	39.970434
"701676"	61.994367	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+H+K"	39.970434
"1448574"	33.988267	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H+K"	39.970434
"241186"	98.046026	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+ACN+H"	42.033826
"1212073"	70.039926	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+ACN+H"	42.033826
"1201788"	35.523601	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+ACN+2H"	43.041102
"189179"	100.98336	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+2Na-H"	44.97116
"628704"	128.98946	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+2Na-H"	44.97116
"1135173"	72.97726	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2Na-H"	44.97116
"176643"	50.995318	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+2Na"	45.978436
"614375"	64.998368	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+2Na"	45.978436
"1118248"	36.992268	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2Na"	45.978436
"1402504"	24.9972706666667	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H+2Na"	46.985712
"1432067"	75.018846	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H+HCOOH"	47.012746
"221758"	56.02834	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+3H2O+2H"	56.04448
"1509821"	89.07089	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+IsoProp+H"	61.06479
"409266"	58.982288	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+Na+K"	61.952376
"770629"	72.985338	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+Na+K"	61.952376
"1667935"	44.979238	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Na+K"	61.952376
"254092"	120.027968	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+ACN+Na"	64.015768
"1226798"	92.021868	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+ACN+Na"	64.015768
"1718239"	92.045393	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+NH4+HCOOH"	64.039293
"1183596"	32.3245846666667	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+3Na"	68.967654
"1650937"	97.000788	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Na+HCOOH"	68.994688
"158529"	132.93124	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+2K-H"	76.91904
"598089"	160.93734	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+2K-H"	76.91904
"1084423"	104.92514	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2K-H"	76.91904
"141549"	66.969258	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"2M+2K"	77.926316
"581525"	80.972308	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"3M+2K"	77.926316
"1068583"	52.966208	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2K"	77.926316
"1100011"	106.939692	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2K+H"	78.933592
"1336118"	107.027307	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+DMSO+H"	79.021207
"1005649"	111.066476	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2ACN+H"	83.060376
"1524480"	112.060108	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+IsoProp+Na+H"	84.054008
"991778"	56.036876	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+2ACN+2H"	84.067652
"1587098"	112.974728	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+K+HCOOH"	84.968628
"1415830"	143.006238	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+H+CF3COOH"	115.000138
"1149764"	76.550151	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+3ACN+2H"	125.094202
"1698951"	160.032785	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+NH4+CF3COOH"	132.026685
"1643355"	164.98818	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+Na+CF3COOH"	136.98208
"1574633"	180.96212	"C00697"	"Nitrogen;N2"	"N2"	"28.0061"	"M+K+CF3COOH"	152.95602
"808280"	34.9689	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M"	0
"988013"	15.95051	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-H2O-H"	-19.01839
"74435"	22.305324	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M-3H"	-3.021828
"509623"	33.961624	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M-3H"	-3.021828
"881590"	10.649024	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-3H"	-3.021828
"5999"	33.961624	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M-2H"	-2.014552
"452122"	51.446074	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M-2H"	-2.014552
"827741"	16.477174	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-2H"	-2.014552
"87732"	68.930524	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M-H"	-1.007276
"527290"	103.899424	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M-H"	-1.007276
"907280"	33.961624	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-H"	-1.007276
"59471"	85.957071	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M-2H+NH4"	16.019271
"493564"	120.925971	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M-2H+NH4"	16.019271
"869906"	50.988171	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-2H+NH4"	16.019271
"39266"	90.912466	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M-2H+Na"	20.974666
"483201"	125.881366	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M-2H+Na"	20.974666
"861004"	55.943566	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-2H+Na"	20.974666
"1633089"	55.943566	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Na-2H"	20.974666
"109134"	51.949963	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M-H+Cl"	33.962126
"549955"	69.434413	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M-H+Cl"	33.962126
"942742"	34.465513	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-H+Cl"	33.962126
"282721"	104.907202	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+Cl"	34.969402
"674034"	139.876102	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+Cl"	34.969402
"1288140"	69.938302	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Cl"	34.969402
"27169"	106.886406	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M-2H+K"	36.948606
"462356"	141.855306	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M-2H+K"	36.948606
"841248"	71.917506	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-2H+K"	36.948606
"1561455"	71.917506	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+K-2H"	36.948606
"949339"	79.967094	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-H+HCOOH"	44.998194
"367557"	114.936001	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+HCOOH-H"	44.998201
"353632"	128.951651	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+Hac-H"	59.013851
"1503195"	93.982751	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Hac-H"	59.013851
"967821"	101.949051	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-H+NaCOOH"	66.980151
"122561"	69.938302	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+2Cl"	69.938804
"561392"	87.422752	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+2Cl"	69.938804
"1030556"	52.453852	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2Cl"	69.938804
"1251228"	113.887785	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Br"	78.918885
"1313676"	115.943772	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Cl+HCOOH"	80.974872
"1328984"	137.925729	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Cl+NaCOOH"	102.956829
"924418"	147.954486	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M-H+CF3COOH"	112.985586
"1300032"	183.931164	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Cl+CF3COOH"	148.962264
"1372726"	-0.0437760000000011	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H-2H2O"	-35.012676
"1389128"	17.9662	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H-H2O"	-17.0027
"283711"	70.945076	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+H"	1.007276
"682329"	105.913976	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+H"	1.007276
"1360865"	35.976176	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H"	1.007276
"130473"	35.976176	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+2H"	2.014552
"570033"	53.460626	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+2H"	2.014552
"1044303"	18.491726	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2H"	2.014552
"210022"	24.319876	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+3H"	3.021828
"652861"	35.976176	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+3H"	3.021828
"1166611"	12.663576	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+3H"	3.021828
"427696"	87.971623	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+NH4"	18.033823
"785853"	122.940523	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+NH4"	18.033823
"1689398"	53.002723	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+NH4"	18.033823
"343880"	44.4894495	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+H+NH4"	19.041099
"736666"	61.9738995	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+H+NH4"	19.041099
"1488300"	27.0049995	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H+NH4"	19.041099
"403703"	92.927018	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+Na"	22.989218
"758137"	127.895918	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+Na"	22.989218
"1606236"	57.958118	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Na"	22.989218
"322834"	46.967147	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+H+Na"	23.996494
"709789"	64.451597	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+H+Na"	23.996494
"1466889"	29.482697	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H+Na"	23.996494
"1065604"	19.99089	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2H+Na"	25.00377
"1270564"	68.002386	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+CH3OH+H"	33.033486
"390963"	108.900958	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+K"	38.963158
"750864"	143.869858	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+K"	38.963158
"1546722"	73.932058	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+K"	38.963158
"307178"	54.954117	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+H+K"	39.970434
"699600"	72.438567	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+H+K"	39.970434
"1453423"	37.469667	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H+K"	39.970434
"242026"	111.971626	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+ACN+H"	42.033826
"1211452"	77.002726	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+ACN+H"	42.033826
"1195334"	39.005001	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+ACN+2H"	43.041102
"189417"	114.90896	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+2Na-H"	44.97116
"629465"	149.87786	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+2Na-H"	44.97116
"1133827"	79.94006	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2Na-H"	44.97116
"177482"	57.958118	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+2Na"	45.978436
"614242"	75.442568	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+2Na"	45.978436
"1117386"	40.473668	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2Na"	45.978436
"1401885"	27.318204	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H+2Na"	46.985712
"1433271"	81.981646	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H+HCOOH"	47.012746
"221139"	62.99114	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+3H2O+2H"	56.04448
"1509686"	96.03369	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+IsoProp+H"	61.06479
"409375"	65.945088	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+Na+K"	61.952376
"770248"	83.429538	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+Na+K"	61.952376
"1668045"	48.460638	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Na+K"	61.952376
"254930"	133.953568	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+ACN+Na"	64.015768
"1228366"	98.984668	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+ACN+Na"	64.015768
"1717255"	99.008193	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+NH4+HCOOH"	64.039293
"1181882"	34.645518	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+3Na"	68.967654
"1653236"	103.963588	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Na+HCOOH"	68.994688
"161557"	146.85684	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+2K-H"	76.91904
"598686"	181.82574	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+2K-H"	76.91904
"1085260"	111.88794	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2K-H"	76.91904
"142562"	73.932058	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"2M+2K"	77.926316
"582242"	91.416508	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"3M+2K"	77.926316
"1068941"	56.447608	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2K"	77.926316
"1100321"	113.902492	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2K+H"	78.933592
"1335859"	113.990107	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+DMSO+H"	79.021207
"1007073"	118.029276	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2ACN+H"	83.060376
"1525194"	119.022908	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+IsoProp+Na+H"	84.054008
"991524"	59.518276	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+2ACN+2H"	84.067652
"1587274"	119.937528	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+K+HCOOH"	84.968628
"1415941"	149.969038	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+H+CF3COOH"	115.000138
"1148417"	80.031551	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+3ACN+2H"	125.094202
"1698333"	166.995585	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+NH4+CF3COOH"	132.026685
"1643465"	171.95098	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+Na+CF3COOH"	136.98208
"1574743"	187.92492	"C00698"	"Cl-;Chloride;Chloride ion"	"Cl"	"34.9689"	"M+K+CF3COOH"	152.95602
"811670"	523.9747	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M"	0
"988487"	504.95631	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-H2O-H"	-19.01839
"73453"	348.309190666667	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M-3H"	-3.021828
"507546"	522.967424	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M-3H"	-3.021828
"882427"	173.650957333333	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-3H"	-3.021828
"3555"	522.967424	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M-2H"	-2.014552
"450045"	784.954774	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M-2H"	-2.014552
"824569"	260.980074	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-2H"	-2.014552
"83830"	1046.942124	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M-H"	-1.007276
"523391"	1570.916824	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M-H"	-1.007276
"900831"	522.967424	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-H"	-1.007276
"54110"	1063.968671	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M-2H+NH4"	16.019271
"495856"	1587.943371	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M-2H+NH4"	16.019271
"871473"	539.993971	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-2H+NH4"	16.019271
"39373"	1068.924066	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M-2H+Na"	20.974666
"478206"	1592.898766	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M-2H+Na"	20.974666
"860017"	544.949366	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-2H+Na"	20.974666
"1630644"	544.949366	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Na-2H"	20.974666
"107173"	540.955763	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M-H+Cl"	33.962126
"546734"	802.943113	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M-H+Cl"	33.962126
"934781"	278.968413	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-H+Cl"	33.962126
"279901"	1082.918802	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+Cl"	34.969402
"672322"	1606.893502	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+Cl"	34.969402
"1285817"	558.944102	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Cl"	34.969402
"26188"	1084.898006	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M-2H+K"	36.948606
"463560"	1608.872706	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M-2H+K"	36.948606
"834801"	560.923306	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-2H+K"	36.948606
"1558289"	560.923306	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+K-2H"	36.948606
"949452"	568.972894	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-H+HCOOH"	44.998194
"366576"	1092.947601	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+HCOOH-H"	44.998201
"355928"	1106.963251	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+Hac-H"	59.013851
"1502576"	582.988551	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Hac-H"	59.013851
"967931"	590.954851	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-H+NaCOOH"	66.980151
"121212"	558.944102	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+2Cl"	69.938804
"561867"	820.931452	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+2Cl"	69.938804
"1031759"	296.956752	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2Cl"	69.938804
"1252431"	602.893585	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Br"	78.918885
"1314879"	604.949572	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Cl+HCOOH"	80.974872
"1332374"	626.931529	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Cl+NaCOOH"	102.956829
"924528"	636.960286	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M-H+CF3COOH"	112.985586
"1300142"	672.936964	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Cl+CF3COOH"	148.962264
"1372836"	488.962024	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H-2H2O"	-35.012676
"1394705"	506.972	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H-H2O"	-17.0027
"292205"	1048.956676	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+H"	1.007276
"685719"	1572.931376	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+H"	1.007276
"1360975"	524.981976	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H"	1.007276
"132770"	524.981976	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+2H"	2.014552
"572330"	786.969326	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+2H"	2.014552
"1045507"	262.994626	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2H"	2.014552
"209039"	350.323742666667	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+3H"	3.021828
"654067"	524.981976	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+3H"	3.021828
"1171094"	175.665509333333	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+3H"	3.021828
"425620"	1065.983223	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+NH4"	18.033823
"788802"	1589.957923	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+NH4"	18.033823
"1688413"	542.008523	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+NH4"	18.033823
"338884"	533.4952495	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+H+NH4"	19.041099
"738314"	795.4825995	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+H+NH4"	19.041099
"1490595"	271.5078995	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H+NH4"	19.041099
"402713"	1070.938618	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+Na"	22.989218
"761525"	1594.913318	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+Na"	22.989218
"1607440"	546.963918	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Na"	22.989218
"326224"	535.972947	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+H+Na"	23.996494
"719741"	797.960297	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+H+Na"	23.996494
"1472468"	273.985597	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H+Na"	23.996494
"1060250"	182.992823333333	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2H+Na"	25.00377
"1266301"	557.008186	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+CH3OH+H"	33.033486
"390341"	1086.912558	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+K"	38.963158
"745871"	1610.887258	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+K"	38.963158
"1546834"	562.937858	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+K"	38.963158
"306195"	543.959917	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+H+K"	39.970434
"699710"	805.947267	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+H+K"	39.970434
"1449158"	281.972567	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H+K"	39.970434
"244323"	1089.983226	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+ACN+H"	42.033826
"1210707"	566.008526	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+ACN+H"	42.033826
"1195322"	283.507901	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+ACN+2H"	43.041102
"189043"	1092.92056	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+2Na-H"	44.97116
"629698"	1616.89526	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+2Na-H"	44.97116
"1133208"	568.94586	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2Na-H"	44.97116
"176499"	546.963918	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+2Na"	45.978436
"614963"	808.951268	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+2Na"	45.978436
"1119199"	284.976568	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2Na"	45.978436
"1400902"	190.320137333333	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H+2Na"	46.985712
"1433016"	570.987446	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H+HCOOH"	47.012746
"221982"	551.99694	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+3H2O+2H"	56.04448
"1510040"	585.03949	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+IsoProp+H"	61.06479
"410092"	554.950888	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+Na+K"	61.952376
"770967"	816.938238	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+Na+K"	61.952376
"1667425"	292.963538	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Na+K"	61.952376
"255403"	1111.965168	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+ACN+Na"	64.015768
"1230663"	587.990468	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+ACN+Na"	64.015768
"1717000"	588.013993	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+NH4+HCOOH"	64.039293
"1186003"	197.647451333333	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+3Na"	68.967654
"1652983"	592.969388	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Na+HCOOH"	68.994688
"162761"	1124.86844	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+2K-H"	76.91904
"599403"	1648.84314	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+2K-H"	76.91904
"1085857"	600.89374	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2K-H"	76.91904
"142300"	562.937858	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"2M+2K"	77.926316
"581947"	824.925208	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"3M+2K"	77.926316
"1068802"	300.950508	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2K"	77.926316
"1101295"	602.908292	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2K+H"	78.933592
"1336091"	602.995907	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+DMSO+H"	79.021207
"1006204"	607.035076	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2ACN+H"	83.060376
"1524329"	608.028708	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+IsoProp+Na+H"	84.054008
"992607"	304.021176	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+2ACN+2H"	84.067652
"1592578"	608.943328	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+K+HCOOH"	84.968628
"1415443"	638.974838	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+H+CF3COOH"	115.000138
"1147427"	324.534451	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+3ACN+2H"	125.094202
"1697221"	656.001385	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+NH4+CF3COOH"	132.026685
"1634269"	660.95678	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+Na+CF3COOH"	136.98208
"1574853"	676.93072	"C00700"	"XTP;Xanthosine 5-triphosphate"	"C10H15N4O15P3"	"523.9747"	"M+K+CF3COOH"	152.95602
"812876"	201.9706	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M"	0
"985320"	182.95221	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-H2O-H"	-19.01839
"67002"	133.639790666667	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M-3H"	-3.021828
"510936"	200.963324	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M-3H"	-3.021828
"883271"	66.3162573333333	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-3H"	-3.021828
"8407"	200.963324	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M-2H"	-2.014552
"450158"	301.948624	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M-2H"	-2.014552
"831241"	99.978024	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-2H"	-2.014552
"81390"	402.933924	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M-H"	-1.007276
"522046"	604.904524	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M-H"	-1.007276
"903129"	200.963324	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-H"	-1.007276
"51305"	419.960471	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M-2H+NH4"	16.019271
"494875"	621.931071	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M-2H+NH4"	16.019271
"866845"	217.989871	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-2H+NH4"	16.019271
"34747"	424.915866	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M-2H+Na"	20.974666
"477223"	626.886466	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M-2H+Na"	20.974666
"857944"	222.945266	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-2H+Na"	20.974666
"1629300"	222.945266	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Na-2H"	20.974666
"106921"	218.951663	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M-H+Cl"	33.962126
"545755"	319.936963	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M-H+Cl"	33.962126
"938175"	117.966363	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-H+Cl"	33.962126
"276732"	438.910602	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+Cl"	34.969402
"669154"	640.881202	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+Cl"	34.969402
"1283742"	236.940002	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Cl"	34.969402
"20102"	440.889806	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M-2H+K"	36.948606
"463673"	642.860406	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M-2H+K"	36.948606
"838193"	238.919206	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-2H+K"	36.948606
"1561681"	238.919206	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+K-2H"	36.948606
"949565"	246.968794	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-H+HCOOH"	44.998194
"366686"	448.939401	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+HCOOH-H"	44.998201
"352760"	462.955051	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+Hac-H"	59.013851
"1503779"	260.984451	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Hac-H"	59.013851
"969133"	268.950751	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-H+NaCOOH"	66.980151
"123144"	236.940002	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+2Cl"	69.938804
"557602"	337.925302	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+2Cl"	69.938804
"1035151"	135.954702	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2Cl"	69.938804
"1256795"	280.889485	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Br"	78.918885
"1317177"	282.945472	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Cl+HCOOH"	80.974872
"1332487"	304.927429	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Cl+NaCOOH"	102.956829
"919170"	314.956186	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M-H+CF3COOH"	112.985586
"1300251"	350.932864	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Cl+CF3COOH"	148.962264
"1379506"	166.957924	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H-2H2O"	-35.012676
"1393723"	184.9679	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H-H2O"	-17.0027
"293410"	404.948476	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+H"	1.007276
"685829"	606.919076	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+H"	1.007276
"1364365"	202.977876	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H"	1.007276
"131785"	202.977876	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+2H"	2.014552
"569160"	303.963176	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+2H"	2.014552
"1042340"	101.992576	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2H"	2.014552
"209147"	135.654342666667	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+3H"	3.021828
"646158"	202.977876	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+3H"	3.021828
"1165738"	68.3308093333333	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+3H"	3.021828
"426824"	421.975023	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+NH4"	18.033823
"792194"	623.945623	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+NH4"	18.033823
"1688523"	220.004423	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+NH4"	18.033823
"338994"	211.4911495	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+H+NH4"	19.041099
"731418"	312.4764495	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+H+NH4"	19.041099
"1488518"	110.5058495	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H+NH4"	19.041099
"398453"	426.930418	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+Na"	22.989218
"759448"	628.901018	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+Na"	22.989218
"1605362"	224.959818	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Na"	22.989218
"325244"	213.968847	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+H+Na"	23.996494
"719855"	314.954147	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+H+Na"	23.996494
"1474040"	112.983547	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H+Na"	23.996494
"1060362"	75.6581233333333	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2H+Na"	25.00377
"1266779"	235.004086	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+CH3OH+H"	33.033486
"386447"	442.904358	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+K"	38.963158
"745981"	644.874958	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+K"	38.963158
"1541474"	240.933758	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+K"	38.963158
"302660"	221.955817	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+H+K"	39.970434
"695451"	322.941117	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+H+K"	39.970434
"1449634"	120.970517	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H+K"	39.970434
"239330"	445.975026	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+ACN+H"	42.033826
"1214954"	244.004426	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+ACN+H"	42.033826
"1194238"	122.505851	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+ACN+2H"	43.041102
"188709"	448.91236	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+2Na-H"	44.97116
"629326"	650.88296	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+2Na-H"	44.97116
"1131628"	246.94176	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2Na-H"	44.97116
"175150"	224.959818	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+2Na"	45.978436
"613617"	325.945118	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+2Na"	45.978436
"1118218"	123.974518	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2Na"	45.978436
"1399547"	82.9854373333333	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H+2Na"	46.985712
"1430574"	248.983346	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H+HCOOH"	47.012746
"221363"	229.99284	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+3H2O+2H"	56.04448
"1510155"	263.03539	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+IsoProp+H"	61.06479
"409236"	232.946788	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+Na+K"	61.952376
"771933"	333.932088	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+Na+K"	61.952376
"1667535"	131.961488	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Na+K"	61.952376
"255150"	467.956968	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+ACN+Na"	64.015768
"1229319"	265.986368	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+ACN+Na"	64.015768
"1714195"	266.009893	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+NH4+HCOOH"	64.039293
"1180280"	90.3127513333333	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+3Na"	68.967654
"1650408"	270.965288	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Na+HCOOH"	68.994688
"158977"	480.86024	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+2K-H"	76.91904
"604615"	682.83084	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+2K-H"	76.91904
"1084338"	278.88964	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2K-H"	76.91904
"142541"	240.933758	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"2M+2K"	77.926316
"581979"	341.919058	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"3M+2K"	77.926316
"1071114"	139.948458	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2K"	77.926316
"1103230"	280.904192	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2K+H"	78.933592
"1337428"	280.991807	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+DMSO+H"	79.021207
"1007173"	285.030976	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2ACN+H"	83.060376
"1524246"	286.024608	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+IsoProp+Na+H"	84.054008
"990649"	143.019126	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+2ACN+2H"	84.067652
"1588435"	286.939228	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+K+HCOOH"	84.968628
"1414945"	316.970738	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+H+CF3COOH"	115.000138
"1148633"	163.532401	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+3ACN+2H"	125.094202
"1700375"	333.997285	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+NH4+CF3COOH"	132.026685
"1635297"	338.95268	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+Na+CF3COOH"	136.98208
"1574964"	354.92662	"C00703"	"Mercury(2);Hg2;Mercuric ion"	"Hg"	"201.9706"	"M+K+CF3COOH"	152.95602
"814080"	31.9898	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M"	0
"987617"	12.97141	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-H2O-H"	-19.01839
"71486"	20.3192573333333	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M-3H"	-3.021828
"511046"	30.982524	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M-3H"	-3.021828
"886661"	9.65599066666667	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-3H"	-3.021828
"9611"	30.982524	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M-2H"	-2.014552
"449175"	46.977424	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M-2H"	-2.014552
"831109"	14.987624	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-2H"	-2.014552
"82596"	62.972324	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M-H"	-1.007276
"522157"	94.962124	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M-H"	-1.007276
"901052"	30.982524	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-H"	-1.007276
"53239"	79.998871	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M-2H+NH4"	16.019271
"496079"	111.988671	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M-2H+NH4"	16.019271
"872788"	48.009071	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-2H+NH4"	16.019271
"35951"	84.954266	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M-2H+Na"	20.974666
"479156"	116.944066	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M-2H+Na"	20.974666
"861334"	52.964466	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-2H+Na"	20.974666
"1629774"	52.964466	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Na-2H"	20.974666
"104116"	48.970863	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M-H+Cl"	33.962126
"546957"	64.965763	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M-H+Cl"	33.962126
"939377"	32.975963	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-H+Cl"	33.962126
"280121"	98.949002	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+Cl"	34.969402
"672544"	130.938802	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+Cl"	34.969402
"1283852"	66.959202	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Cl"	34.969402
"19848"	100.928206	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M-2H+K"	36.948606
"467063"	132.918006	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M-2H+K"	36.948606
"838303"	68.938406	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-2H+K"	36.948606
"1563979"	68.938406	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+K-2H"	36.948606
"949675"	76.987994	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-H+HCOOH"	44.998194
"368983"	108.977801	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+HCOOH-H"	44.998201
"355057"	122.993451	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+Hac-H"	59.013851
"1507538"	91.003651	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Hac-H"	59.013851
"973256"	98.969951	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-H+NaCOOH"	66.980151
"125323"	66.959202	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+2Cl"	69.938804
"563545"	82.954102	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+2Cl"	69.938804
"1034899"	50.964302	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2Cl"	69.938804
"1256787"	110.908685	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Br"	78.918885
"1318991"	112.964672	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Cl+HCOOH"	80.974872
"1334297"	134.946629	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Cl+NaCOOH"	102.956829
"925601"	144.975386	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M-H+CF3COOH"	112.985586
"1302188"	180.952064	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Cl+CF3COOH"	148.962264
"1378524"	-3.022876	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H-2H2O"	-35.012676
"1396020"	14.9871	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H-H2O"	-17.0027
"293521"	64.986876	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+H"	1.007276
"689100"	96.976676	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+H"	1.007276
"1364475"	32.997076	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H"	1.007276
"137365"	32.997076	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+2H"	2.014552
"574739"	48.991976	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+2H"	2.014552
"1049012"	17.002176	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2H"	2.014552
"216913"	22.3338093333333	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+3H"	3.021828
"652101"	32.997076	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+3H"	3.021828
"1166945"	11.6705426666667	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+3H"	3.021828
"428029"	82.013423	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+NH4"	18.033823
"790118"	114.003223	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+NH4"	18.033823
"1689729"	50.023623	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+NH4"	18.033823
"341292"	41.5103495	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+H+NH4"	19.041099
"732623"	57.5052495	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+H+NH4"	19.041099
"1486447"	25.5154495	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H+NH4"	19.041099
"399658"	86.968818	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+Na"	22.989218
"763935"	118.958618	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+Na"	22.989218
"1614221"	54.979018	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Na"	22.989218
"326448"	43.988047	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+H+Na"	23.996494
"719600"	59.982947	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+H+Na"	23.996494
"1470507"	27.993147	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H+Na"	23.996494
"1062296"	18.9978566666667	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2H+Na"	25.00377
"1266163"	65.023286	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+CH3OH+H"	33.033486
"384008"	102.942758	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+K"	38.963158
"749373"	134.932558	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+K"	38.963158
"1547053"	70.952958	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+K"	38.963158
"305687"	51.975017	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+H+K"	39.970434
"696655"	67.969917	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+H+K"	39.970434
"1451202"	35.980117	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H+K"	39.970434
"243450"	106.013426	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+ACN+H"	42.033826
"1217251"	74.023626	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+ACN+H"	42.033826
"1197491"	37.515451	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+ACN+2H"	43.041102
"189754"	108.95076	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+2Na-H"	44.97116
"630286"	140.94056	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+2Na-H"	44.97116
"1132698"	76.96096	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2Na-H"	44.97116
"174530"	54.979018	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+2Na"	45.978436
"615551"	70.973918	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+2Na"	45.978436
"1122340"	38.984118	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2Na"	45.978436
"1400755"	26.3251706666667	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H+2Na"	46.985712
"1433966"	79.002546	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H+HCOOH"	47.012746
"221472"	60.01204	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+3H2O+2H"	56.04448
"1510629"	93.05459	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+IsoProp+H"	61.06479
"410317"	62.965988	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+Na+K"	61.952376
"770342"	78.960888	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+Na+K"	61.952376
"1666307"	46.971088	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Na+K"	61.952376
"252345"	127.995368	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+ACN+Na"	64.015768
"1226513"	96.005568	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+ACN+Na"	64.015768
"1712961"	96.029093	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+NH4+HCOOH"	64.039293
"1178572"	33.6524846666667	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+3Na"	68.967654
"1649944"	100.984488	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Na+HCOOH"	68.994688
"157152"	140.89864	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+2K-H"	76.91904
"597672"	172.88844	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+2K-H"	76.91904
"1084529"	108.90884	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2K-H"	76.91904
"141479"	70.952958	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"2M+2K"	77.926316
"581469"	86.947858	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"3M+2K"	77.926316
"1068588"	54.958058	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2K"	77.926316
"1100006"	110.923392	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2K+H"	78.933592
"1338632"	111.011007	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+DMSO+H"	79.021207
"1007647"	115.050176	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2ACN+H"	83.060376
"1525157"	116.043808	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+IsoProp+Na+H"	84.054008
"990392"	58.028726	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+2ACN+2H"	84.067652
"1592799"	116.958428	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+K+HCOOH"	84.968628
"1418457"	146.989938	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+H+CF3COOH"	115.000138
"1147648"	78.542001	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+3ACN+2H"	125.094202
"1697361"	164.016485	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+NH4+CF3COOH"	132.026685
"1635041"	168.97188	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+Na+CF3COOH"	136.98208
"1575074"	184.94582	"C00704"	"O2-;Superoxide anion;O2-"	"O2"	"31.9898"	"M+K+CF3COOH"	152.95602
"813095"	387.0233	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M"	0
"986630"	368.00491	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-H2O-H"	-19.01839
"71596"	257.008257333333	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M-3H"	-3.021828
"511156"	386.016024	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M-3H"	-3.021828
"886771"	128.000490666667	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-3H"	-3.021828
"9723"	386.016024	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M-2H"	-2.014552
"449284"	579.527674	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M-2H"	-2.014552
"828181"	192.504374	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-2H"	-2.014552
"87079"	773.039324	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M-H"	-1.007276
"520442"	1160.062624	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M-H"	-1.007276
"897515"	386.016024	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-H"	-1.007276
"55536"	790.065871	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M-2H+NH4"	16.019271
"495095"	1177.089171	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M-2H+NH4"	16.019271
"871074"	403.042571	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-2H+NH4"	16.019271
"33507"	795.021266	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M-2H+Na"	20.974666
"476350"	1182.044566	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M-2H+Na"	20.974666
"859257"	407.997966	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-2H+Na"	20.974666
"1627697"	407.997966	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Na-2H"	20.974666
"104225"	404.004363	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M-H+Cl"	33.962126
"546339"	597.516013	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M-H+Cl"	33.962126
"938393"	210.492713	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-H+Cl"	33.962126
"278045"	809.016002	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+Cl"	34.969402
"667186"	1196.039302	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+Cl"	34.969402
"1281774"	421.992702	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Cl"	34.969402
"22144"	810.995206	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M-2H+K"	36.948606
"460612"	1198.018506	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M-2H+K"	36.948606
"838413"	423.971906	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-2H+K"	36.948606
"1565182"	423.971906	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+K-2H"	36.948606
"946505"	432.021494	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-H+HCOOH"	44.998194
"366906"	819.044801	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+HCOOH-H"	44.998201
"355167"	833.060451	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+Hac-H"	59.013851
"1505098"	446.037151	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Hac-H"	59.013851
"972276"	454.003451	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-H+NaCOOH"	66.980151
"123977"	421.992702	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+2Cl"	69.938804
"562562"	615.504352	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+2Cl"	69.938804
"1034283"	228.481052	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2Cl"	69.938804
"1256532"	465.942185	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Br"	78.918885
"1318616"	467.998172	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Cl+HCOOH"	80.974872
"1334776"	489.980129	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Cl+NaCOOH"	102.956829
"925713"	500.008886	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M-H+CF3COOH"	112.985586
"1299380"	535.985564	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Cl+CF3COOH"	148.962264
"1379727"	352.010624	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H-2H2O"	-35.012676
"1396130"	370.0206	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H-H2O"	-17.0027
"296910"	775.053876	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+H"	1.007276
"689331"	1162.077176	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+H"	1.007276
"1365678"	388.030576	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H"	1.007276
"137475"	388.030576	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+2H"	2.014552
"577036"	581.542226	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+2H"	2.014552
"1050219"	194.518926	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2H"	2.014552
"214475"	259.022809333333	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+3H"	3.021828
"657315"	388.030576	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+3H"	3.021828
"1168149"	130.015042666667	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+3H"	3.021828
"432512"	792.080423	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+NH4"	18.033823
"792415"	1179.103723	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+NH4"	18.033823
"1689839"	405.057123	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+NH4"	18.033823
"338118"	396.5438495	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+H+NH4"	19.041099
"733829"	590.0554995	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+H+NH4"	19.041099
"1487649"	203.0321995	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H+NH4"	19.041099
"404142"	797.035818	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+Na"	22.989218
"760766"	1184.059118	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+Na"	22.989218
"1616153"	410.012518	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Na"	22.989218
"324369"	399.021547	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+H+Na"	23.996494
"717524"	592.533197	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+H+Na"	23.996494
"1470252"	205.509897	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H+Na"	23.996494
"1060584"	137.342356666667	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2H+Na"	25.00377
"1265545"	420.056786	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+CH3OH+H"	33.033486
"385211"	813.009758	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+K"	38.963158
"747297"	1200.033058	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+K"	38.963158
"1547528"	425.986458	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+K"	38.963158
"309806"	407.008517	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+H+K"	39.970434
"696398"	600.520167	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+H+K"	39.970434
"1452769"	213.496867	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H+K"	39.970434
"239549"	816.080426	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+ACN+H"	42.033826
"1216268"	429.057126	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+ACN+H"	42.033826
"1196141"	215.032201	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+ACN+2H"	43.041102
"189744"	819.01776	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+2Na-H"	44.97116
"629663"	1206.04106	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+2Na-H"	44.97116
"1132565"	431.99446	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2Na-H"	44.97116
"174638"	410.012518	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+2Na"	45.978436
"615296"	603.524168	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+2Na"	45.978436
"1117344"	216.500868	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2Na"	45.978436
"1400619"	144.669670666667	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H+2Na"	46.985712
"1432252"	434.036046	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H+HCOOH"	47.012746
"221335"	415.04554	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+3H2O+2H"	56.04448
"1510006"	448.08809	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+IsoProp+H"	61.06479
"410423"	417.999488	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+Na+K"	61.952376
"771787"	611.511138	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+Na+K"	61.952376
"1667025"	224.487838	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Na+K"	61.952376
"252086"	838.062368	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+ACN+Na"	64.015768
"1226622"	451.039068	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+ACN+Na"	64.015768
"1713030"	451.062593	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+NH4+HCOOH"	64.039293
"1178789"	151.996984666667	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+3Na"	68.967654
"1650220"	456.017988	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Na+HCOOH"	68.994688
"157408"	850.96564	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+2K-H"	76.91904
"597536"	1237.98894	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+2K-H"	76.91904
"1084598"	463.94234	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2K-H"	76.91904
"142145"	425.986458	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"2M+2K"	77.926316
"581831"	619.498108	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"3M+2K"	77.926316
"1068902"	232.474808	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2K"	77.926316
"1102477"	465.956892	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2K+H"	78.933592
"1337649"	466.044507	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+DMSO+H"	79.021207
"1010552"	470.083676	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2ACN+H"	83.060376
"1524661"	471.077308	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+IsoProp+Na+H"	84.054008
"994032"	235.545476	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+2ACN+2H"	84.067652
"1590723"	471.991928	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+K+HCOOH"	84.968628
"1422944"	502.023438	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+H+CF3COOH"	115.000138
"1148489"	256.058751	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+3ACN+2H"	125.094202
"1697310"	519.049985	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+NH4+CF3COOH"	132.026685
"1634746"	524.00538	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+Na+CF3COOH"	136.98208
"1575184"	539.97932	"C00705"	"dCDP;2-Deoxycytidine diphosphate;2-Deoxycytidine 5-diphosphate"	"C9H15N3O10P2"	"387.0233"	"M+K+CF3COOH"	152.95602
"816939"	126.9045	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M"	0
"987838"	107.88611	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-H2O-H"	-19.01839
"73893"	83.595724	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M-3H"	-3.021828
"509079"	125.897224	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M-3H"	-3.021828
"889068"	41.294224	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-3H"	-3.021828
"14936"	125.897224	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M-2H"	-2.014552
"452676"	189.349474	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M-2H"	-2.014552
"830477"	62.444974	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-2H"	-2.014552
"85003"	252.801724	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M-H"	-1.007276
"520551"	379.706224	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M-H"	-1.007276
"897622"	125.897224	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-H"	-1.007276
"48719"	269.828271	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M-2H+NH4"	16.019271
"501647"	396.732771	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M-2H+NH4"	16.019271
"871186"	142.923771	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-2H+NH4"	16.019271
"36172"	274.783666	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M-2H+Na"	20.974666
"482658"	401.688166	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M-2H+Na"	20.974666
"860463"	147.879166	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-2H+Na"	20.974666
"1631089"	147.879166	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Na-2H"	20.974666
"108712"	143.885563	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M-H+Cl"	33.962126
"544991"	207.337813	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M-H+Cl"	33.962126
"935226"	80.433313	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-H+Cl"	33.962126
"275970"	288.778402	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+Cl"	34.969402
"672764"	415.682902	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+Cl"	34.969402
"1282980"	161.873902	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Cl"	34.969402
"26630"	290.757606	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M-2H+K"	36.948606
"460722"	417.662106	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M-2H+K"	36.948606
"845822"	163.853106	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-2H+K"	36.948606
"1569675"	163.853106	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+K-2H"	36.948606
"954273"	171.902694	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-H+HCOOH"	44.998194
"375772"	298.807201	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+HCOOH-H"	44.998201
"359656"	312.822851	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+Hac-H"	59.013851
"1504112"	185.918351	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Hac-H"	59.013851
"972019"	193.884651	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-H+NaCOOH"	66.980151
"125304"	161.873902	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+2Cl"	69.938804
"565192"	225.326152	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+2Cl"	69.938804
"1036341"	98.421652	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2Cl"	69.938804
"1256726"	205.823385	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Br"	78.918885
"1318846"	207.879372	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Cl+HCOOH"	80.974872
"1332453"	229.861329	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Cl+NaCOOH"	102.956829
"924240"	239.890086	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M-H+CF3COOH"	112.985586
"1299490"	275.866764	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Cl+CF3COOH"	148.962264
"1380569"	91.891824	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H-2H2O"	-35.012676
"1394054"	109.9018	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H-H2O"	-17.0027
"291553"	254.816276	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+H"	1.007276
"689446"	381.720776	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+H"	1.007276
"1362515"	127.911776	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H"	1.007276
"140155"	127.911776	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+2H"	2.014552
"580802"	191.364026	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+2H"	2.014552
"1050328"	64.459526	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2H"	2.014552
"212765"	85.610276	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+3H"	3.021828
"653418"	127.911776	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+3H"	3.021828
"1172637"	43.308776	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+3H"	3.021828
"432626"	271.842823	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+NH4"	18.033823
"792530"	398.747323	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+NH4"	18.033823
"1696981"	144.938323	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+NH4"	18.033823
"342611"	136.4250495	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+H+NH4"	19.041099
"735031"	199.8772995	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+H+NH4"	19.041099
"1492135"	72.9727995	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H+NH4"	19.041099
"405351"	276.798218	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+Na"	22.989218
"766350"	403.702718	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+Na"	22.989218
"1612992"	149.893718	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Na"	22.989218
"325580"	138.902747	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+H+Na"	23.996494
"718365"	202.354997	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+H+Na"	23.996494
"1469634"	75.450497	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H+Na"	23.996494
"1062882"	50.63609	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2H+Na"	25.00377
"1265651"	159.937986	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+CH3OH+H"	33.033486
"384227"	292.772158	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+K"	38.963158
"744131"	419.676658	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+K"	38.963158
"1544356"	165.867658	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+K"	38.963158
"303721"	146.889717	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+H+K"	39.970434
"695777"	210.341967	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+H+K"	39.970434
"1450693"	83.437467	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H+K"	39.970434
"238201"	295.842826	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+ACN+H"	42.033826
"1213098"	168.938326	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+ACN+H"	42.033826
"1198075"	84.972801	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+ACN+2H"	43.041102
"199694"	298.78016	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+2Na-H"	44.97116
"637799"	425.68466	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+2Na-H"	44.97116
"1142764"	171.87566	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2Na-H"	44.97116
"176939"	149.893718	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+2Na"	45.978436
"617227"	213.345968	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+2Na"	45.978436
"1118178"	86.441468	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2Na"	45.978436
"1400122"	57.963404	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H+2Na"	46.985712
"1432724"	173.917246	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H+HCOOH"	47.012746
"221692"	154.92674	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+3H2O+2H"	56.04448
"1510114"	187.96929	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+IsoProp+H"	61.06479
"409804"	157.880688	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+Na+K"	61.952376
"771163"	221.332938	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+Na+K"	61.952376
"1668594"	94.428438	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Na+K"	61.952376
"254020"	317.824768	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+ACN+Na"	64.015768
"1228551"	190.920268	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+ACN+Na"	64.015768
"1714525"	190.943793	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+NH4+HCOOH"	64.039293
"1180610"	65.290718	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+3Na"	68.967654
"1650749"	195.899188	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Na+HCOOH"	68.994688
"158210"	330.72804	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+2K-H"	76.91904
"597768"	457.63254	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+2K-H"	76.91904
"1086543"	203.82354	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2K-H"	76.91904
"145547"	165.867658	"C00708"	"Iodide;I-"	"I"	"126.9045"	"2M+2K"	77.926316
"581532"	229.319908	"C00708"	"Iodide;I-"	"I"	"126.9045"	"3M+2K"	77.926316
"1069372"	102.415408	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2K"	77.926316
"1101006"	205.838092	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2K+H"	78.933592
"1335971"	205.925707	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+DMSO+H"	79.021207
"1008474"	209.964876	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2ACN+H"	83.060376
"1527692"	210.958508	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+IsoProp+Na+H"	84.054008
"991587"	105.486076	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+2ACN+2H"	84.067652
"1587670"	211.873128	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+K+HCOOH"	84.968628
"1415029"	241.904638	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+H+CF3COOH"	115.000138
"1148235"	125.999351	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+3ACN+2H"	125.094202
"1699621"	258.931185	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+NH4+CF3COOH"	132.026685
"1637457"	263.88658	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+Na+CF3COOH"	136.98208
"1576389"	279.86052	"C00708"	"Iodide;I-"	"I"	"126.9045"	"M+K+CF3COOH"	152.95602
"816116"	134.0215	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M"	0
"985758"	115.00311	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-H2O-H"	-19.01839
"68532"	88.3403906666667	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M-3H"	-3.021828
"510282"	133.014224	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M-3H"	-3.021828
"885897"	43.6665573333333	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-3H"	-3.021828
"13951"	133.014224	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M-2H"	-2.014552
"453877"	200.024974	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M-2H"	-2.014552
"828398"	66.003474	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-2H"	-2.014552
"87301"	267.035724	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M-H"	-1.007276
"526860"	401.057224	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M-H"	-1.007276
"904662"	133.014224	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-H"	-1.007276
"52477"	284.062271	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M-2H+NH4"	16.019271
"496412"	418.083771	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M-2H+NH4"	16.019271
"870934"	150.040771	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-2H+NH4"	16.019271
"45396"	289.017666	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M-2H+Na"	20.974666
"479489"	423.039166	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M-2H+Na"	20.974666
"863732"	154.996166	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-2H+Na"	20.974666
"1633763"	154.996166	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Na-2H"	20.974666
"107728"	151.002563	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M-H+Cl"	33.962126
"547288"	218.013313	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M-H+Cl"	33.962126
"942741"	83.991813	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-H+Cl"	33.962126
"282688"	303.012402	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+Cl"	34.969402
"673969"	437.033902	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+Cl"	34.969402
"1286371"	168.990902	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Cl"	34.969402
"26740"	304.991606	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M-2H+K"	36.948606
"464113"	439.013106	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M-2H+K"	36.948606
"847025"	170.970106	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-2H+K"	36.948606
"1568688"	170.970106	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+K-2H"	36.948606
"957302"	179.019694	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-H+HCOOH"	44.998194
"375518"	313.041201	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+HCOOH-H"	44.998201
"360495"	327.056851	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+Hac-H"	59.013851
"1507139"	193.035351	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Hac-H"	59.013851
"973588"	201.001651	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-H+NaCOOH"	66.980151
"125534"	168.990902	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+2Cl"	69.938804
"565051"	236.001652	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+2Cl"	69.938804
"1036567"	101.980152	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2Cl"	69.938804
"1254808"	212.940385	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Br"	78.918885
"1317254"	214.996372	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Cl+HCOOH"	80.974872
"1330740"	236.978329	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Cl+NaCOOH"	102.956829
"922891"	247.007086	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M-H+CF3COOH"	112.985586
"1296320"	282.983764	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Cl+CF3COOH"	148.962264
"1379950"	99.008824	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H-2H2O"	-35.012676
"1394164"	117.0188	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H-H2O"	-17.0027
"291663"	269.050276	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+H"	1.007276
"689191"	403.071776	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+H"	1.007276
"1364812"	135.028776	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H"	1.007276
"139535"	135.028776	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+2H"	2.014552
"577269"	202.039526	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+2H"	2.014552
"1050807"	68.018026	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2H"	2.014552
"212875"	90.3549426666667	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+3H"	3.021828
"653528"	135.028776	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+3H"	3.021828
"1172747"	45.6811093333333	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+3H"	3.021828
"430550"	286.076823	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+NH4"	18.033823
"791547"	420.098323	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+NH4"	18.033823
"1695547"	152.055323	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+NH4"	18.033823
"345398"	143.5420495	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+H+NH4"	19.041099
"736234"	210.5527995	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+H+NH4"	19.041099
"1491517"	76.5312995	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H+NH4"	19.041099
"406922"	291.032218	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+Na"	22.989218
"767189"	425.053718	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+Na"	22.989218
"1615288"	157.010718	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Na"	22.989218
"328604"	146.019747	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+H+Na"	23.996494
"719203"	213.030497	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+H+Na"	23.996494
"1473025"	79.008997	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H+Na"	23.996494
"1067000"	53.0084233333333	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2H+Na"	25.00377
"1269042"	167.054986	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+CH3OH+H"	33.033486
"386525"	307.006158	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+K"	38.963158
"747521"	441.027658	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+K"	38.963158
"1546655"	172.984658	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+K"	38.963158
"307843"	154.006717	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+H+K"	39.970434
"698078"	221.017467	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+H+K"	39.970434
"1450075"	86.995967	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H+K"	39.970434
"244875"	310.076826	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+ACN+H"	42.033826
"1216853"	176.055326	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+ACN+H"	42.033826
"1200737"	88.531301	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+ACN+2H"	43.041102
"200533"	313.01416	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+2Na-H"	44.97116
"637181"	447.03566	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+2Na-H"	44.97116
"1145058"	178.99266	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2Na-H"	44.97116
"176321"	157.010718	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+2Na"	45.978436
"616246"	224.021468	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+2Na"	45.978436
"1118291"	89.999968	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2Na"	45.978436
"1399868"	60.3357373333333	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H+2Na"	46.985712
"1432465"	181.034246	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H+HCOOH"	47.012746
"222896"	162.04374	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+3H2O+2H"	56.04448
"1509499"	195.08629	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+IsoProp+H"	61.06479
"409915"	164.997688	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+Na+K"	61.952376
"770420"	232.008438	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+Na+K"	61.952376
"1668705"	97.986938	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Na+K"	61.952376
"255591"	332.058768	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+ACN+Na"	64.015768
"1228295"	198.037268	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+ACN+Na"	64.015768
"1717922"	198.060793	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+NH4+HCOOH"	64.039293
"1185463"	67.6630513333333	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+3Na"	68.967654
"1652075"	203.016188	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Na+HCOOH"	68.994688
"162219"	344.96204	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+2K-H"	76.91904
"600687"	478.98354	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+2K-H"	76.91904
"1087385"	210.94054	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2K-H"	76.91904
"143228"	172.984658	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"2M+2K"	77.926316
"589229"	239.995408	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"3M+2K"	77.926316
"1078114"	105.973908	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2K"	77.926316
"1108043"	212.955092	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2K+H"	78.933592
"1342241"	213.042707	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+DMSO+H"	79.021207
"1018425"	217.081876	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2ACN+H"	83.060376
"1524805"	218.075508	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+IsoProp+Na+H"	84.054008
"995344"	109.044576	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+2ACN+2H"	84.067652
"1587171"	218.990128	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+K+HCOOH"	84.968628
"1414413"	249.021638	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+H+CF3COOH"	115.000138
"1147373"	129.557851	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+3ACN+2H"	125.094202
"1699731"	266.048185	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+NH4+CF3COOH"	132.026685
"1637567"	271.00358	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+Na+CF3COOH"	136.98208
"1576499"	286.97752	"C00711"	"Malate;Malic acid;2-Hydroxybutanedioic acid"	"C4H6O5"	"134.0215"	"M+K+CF3COOH"	152.95602
"815251"	282.2559	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M"	0
"984776"	263.23751	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-H2O-H"	-19.01839
"71922"	187.163324	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M-3H"	-3.021828
"506016"	281.248624	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M-3H"	-3.021828
"895002"	93.078024	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-3H"	-3.021828
"14428"	281.248624	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M-2H"	-2.014552
"453623"	422.376574	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M-2H"	-2.014552
"828510"	140.120674	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-2H"	-2.014552
"82308"	563.504524	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M-H"	-1.007276
"520410"	845.760424	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M-H"	-1.007276
"896263"	281.248624	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-H"	-1.007276
"51493"	580.531071	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M-2H+NH4"	16.019271
"493239"	862.786971	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M-2H+NH4"	16.019271
"868490"	298.275171	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-2H+NH4"	16.019271
"44410"	585.486466	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M-2H+Na"	20.974666
"482513"	867.742366	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M-2H+Na"	20.974666
"859589"	303.230566	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-2H+Na"	20.974666
"1629849"	303.230566	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Na-2H"	20.974666
"106744"	299.236963	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M-H+Cl"	33.962126
"547399"	440.364913	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M-H+Cl"	33.962126
"937631"	158.109013	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-H+Cl"	33.962126
"282265"	599.481202	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+Cl"	34.969402
"672983"	881.737102	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+Cl"	34.969402
"1285385"	317.225302	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Cl"	34.969402
"29036"	601.460406	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M-2H+K"	36.948606
"460943"	883.716306	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M-2H+K"	36.948606
"845310"	319.204506	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-2H+K"	36.948606
"1562236"	319.204506	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+K-2H"	36.948606
"957412"	327.254094	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-H+HCOOH"	44.998194
"374169"	609.510001	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+HCOOH-H"	44.998201
"358779"	623.525651	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+Hac-H"	59.013851
"1504330"	341.269751	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Hac-H"	59.013851
"973699"	349.236051	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-H+NaCOOH"	66.980151
"123943"	317.225302	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+2Cl"	69.938804
"563620"	458.353252	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+2Cl"	69.938804
"1036313"	176.097352	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2Cl"	69.938804
"1255279"	361.174785	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Br"	78.918885
"1319185"	363.230772	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Cl+HCOOH"	80.974872
"1333035"	385.212729	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Cl+NaCOOH"	102.956829
"919721"	395.241486	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M-H+CF3COOH"	112.985586
"1297522"	431.218164	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Cl+CF3COOH"	148.962264
"1380060"	247.243224	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H-2H2O"	-35.012676
"1390994"	265.2532	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H-H2O"	-17.0027
"290679"	565.519076	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+H"	1.007276
"689665"	847.774976	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+H"	1.007276
"1363829"	283.263176	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H"	1.007276
"140009"	283.263176	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+2H"	2.014552
"578474"	424.391126	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+2H"	2.014552
"1049821"	142.135226	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2H"	2.014552
"216633"	189.177876	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+3H"	3.021828
"658503"	283.263176	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+3H"	3.021828
"1174316"	95.092576	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+3H"	3.021828
"430660"	582.545623	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+NH4"	18.033823
"791656"	864.801523	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+NH4"	18.033823
"1695655"	300.289723	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+NH4"	18.033823
"343926"	291.7764495	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+H+NH4"	19.041099
"735616"	432.9043995	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+H+NH4"	19.041099
"1490534"	150.6484995	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H+NH4"	19.041099
"405576"	587.501018	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+Na"	22.989218
"766936"	869.756918	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+Na"	22.989218
"1616857"	305.245118	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Na"	22.989218
"329081"	294.254147	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+H+Na"	23.996494
"719313"	435.382097	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+H+Na"	23.996494
"1473135"	153.126197	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H+Na"	23.996494
"1067840"	102.41989	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2H+Na"	25.00377
"1269152"	315.289386	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+CH3OH+H"	33.033486
"387726"	603.474958	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+K"	38.963158
"750910"	885.730858	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+K"	38.963158
"1547493"	321.219058	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+K"	38.963158
"304675"	302.241117	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+H+K"	39.970434
"696002"	443.369067	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+H+K"	39.970434
"1453102"	161.113167	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H+K"	39.970434
"242801"	606.545626	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+ACN+H"	42.033826
"1216601"	324.289726	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+ACN+H"	42.033826
"1200483"	162.648501	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+ACN+2H"	43.041102
"201009"	609.48296	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+2Na-H"	44.97116
"637289"	891.73886	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+2Na-H"	44.97116
"1142984"	327.22706	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2Na-H"	44.97116
"178619"	305.245118	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+2Na"	45.978436
"622554"	446.373068	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+2Na"	45.978436
"1119130"	164.117168	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2Na"	45.978436
"1399858"	109.747204	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H+2Na"	46.985712
"1431846"	329.268646	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H+HCOOH"	47.012746
"221181"	310.27814	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+3H2O+2H"	56.04448
"1509728"	343.32069	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+H"	61.06479
"409010"	313.232088	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+Na+K"	61.952376
"770287"	454.360038	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+Na+K"	61.952376
"1668084"	172.104138	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Na+K"	61.952376
"255700"	628.527568	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+ACN+Na"	64.015768
"1227676"	346.271668	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+ACN+Na"	64.015768
"1720219"	346.295193	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+NH4+HCOOH"	64.039293
"1183751"	117.074518	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+3Na"	68.967654
"1652916"	351.250588	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Na+HCOOH"	68.994688
"161236"	641.43084	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+2K-H"	76.91904
"600797"	923.68674	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+2K-H"	76.91904
"1088953"	359.17494	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2K-H"	76.91904
"147592"	321.219058	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"2M+2K"	77.926316
"592620"	462.347008	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"3M+2K"	77.926316
"1077131"	180.091108	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2K"	77.926316
"1102687"	361.189492	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2K+H"	78.933592
"1345632"	361.277107	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+DMSO+H"	79.021207
"1011975"	365.316276	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2ACN+H"	83.060376
"1531196"	366.309908	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+Na+H"	84.054008
"993267"	183.161776	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+2ACN+2H"	84.067652
"1587443"	367.224528	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+K+HCOOH"	84.968628
"1414887"	397.256038	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+H+CF3COOH"	115.000138
"1147117"	203.675051	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+3ACN+2H"	125.094202
"1700934"	414.282585	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+NH4+CF3COOH"	132.026685
"1638770"	419.23798	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+Na+CF3COOH"	136.98208
"1576609"	435.21192	"C00712"	"(9Z)-Octadecenoic acid;(Z)-Octadec-9-enoic acid;Oleate;Oleic acid"	"C18H34O2"	"282.2559"	"M+K+CF3COOH"	152.95602
"815363"	504.169	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M"	0
"984886"	485.15061	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"72033"	335.105390666667	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"511594"	503.161724	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"887211"	167.049057333333	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"13442"	503.161724	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"453006"	755.246224	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"830809"	251.077224	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"80230"	1007.330724	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"520520"	1511.499724	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"896859"	503.161724	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"55975"	1024.357271	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"491526"	1528.526271	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"868600"	520.188271	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"44520"	1029.312666	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"482258"	1533.481666	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"859698"	525.143666	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1631052"	525.143666	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"105761"	521.150063	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"543135"	773.234563	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"933367"	269.065563	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"279580"	1043.307402	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"671636"	1547.476402	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1280028"	539.138402	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"25865"	1045.286606	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"459957"	1549.455606	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"845420"	541.117606	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1562346"	541.117606	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"957322"	549.167194	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"375007"	1053.336201	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"357794"	1067.351851	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1506629"	563.182851	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"971619"	571.149151	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"124172"	539.138402	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"563730"	791.222902	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1036177"	287.053902	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1255999"	583.087885	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1319174"	585.143872	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1333145"	607.125829	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"923110"	617.154586	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1291436"	653.131264	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1373607"	469.156324	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1387823"	487.1663	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"290789"	1009.345276	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"690872"	1513.514276	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1366616"	505.176276	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"139756"	505.176276	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"578584"	757.260776	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1048471"	253.091776	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"216743"	337.119942666667	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"655573"	505.176276	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1176247"	169.063609333333	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"431133"	1026.371823	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"792858"	1530.540823	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1695274"	522.202823	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"342940"	513.6895495	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"729894"	765.7740495	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1486998"	261.6050495	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"406658"	1031.327218	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"768262"	1535.496218	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1616970"	527.158218	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"327735"	516.167247	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"717235"	768.251747	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1473978"	264.082747	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1066129"	176.390923333333	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1265982"	537.202486	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"387472"	1047.301158	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"750292"	1551.470158	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1547604"	543.132158	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"303693"	524.154217	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"695019"	776.238717	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1448837"	272.069717	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"240721"	1050.371826	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1213428"	546.202826	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1197678"	273.605051	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"196016"	1053.30916	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"640682"	1557.47816	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1136896"	549.14016	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"174230"	527.158218	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"616467"	779.242718	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1119610"	275.073718	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1401307"	183.718237333333	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1431594"	551.181746	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"223116"	532.19124	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1508740"	565.23379	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"408711"	535.145188	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"770764"	787.229688	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1668924"	283.060688	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"255082"	1072.353768	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1228880"	568.184768	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1720329"	568.208293	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1190057"	191.045551333333	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1654485"	573.163688	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"160253"	1085.25704	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"598720"	1589.42604	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1090886"	581.08804	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"149890"	543.132158	"C00713"	"Panose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"591638"	795.216658	"C00713"	"Panose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1079428"	291.047658	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1109357"	583.102592	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1345742"	583.190207	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1013178"	587.229376	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1532400"	588.223008	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"992284"	294.118326	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1587880"	589.137628	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1414999"	619.169138	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1149295"	314.631601	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1703230"	636.195685	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1637788"	641.15108	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1577812"	657.12502	"C00713"	"Panose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"814743"	163.0494	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M"	0
"984995"	144.03101	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-H2O-H"	-19.01839
"74330"	107.692324	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M-3H"	-3.021828
"506237"	162.042124	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M-3H"	-3.021828
"886227"	53.342524	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-3H"	-3.021828
"11365"	162.042124	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M-2H"	-2.014552
"452020"	243.566824	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M-2H"	-2.014552
"822171"	80.517424	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-2H"	-2.014552
"81069"	325.091524	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M-H"	-1.007276
"520263"	488.140924	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M-H"	-1.007276
"898794"	162.042124	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-H"	-1.007276
"52805"	342.118071	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M-2H+NH4"	16.019271
"491272"	505.167471	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M-2H+NH4"	16.019271
"873448"	179.068671	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-2H+NH4"	16.019271
"35153"	347.073466	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M-2H+Na"	20.974666
"476537"	510.122866	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M-2H+Na"	20.974666
"856527"	184.024066	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-2H+Na"	20.974666
"1618890"	184.024066	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Na-2H"	20.974666
"94446"	180.030463	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M-H+Cl"	33.962126
"542881"	261.555163	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M-H+Cl"	33.962126
"934572"	98.505763	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-H+Cl"	33.962126
"274223"	361.068202	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+Cl"	34.969402
"671017"	524.117602	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+Cl"	34.969402
"1284150"	198.018802	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Cl"	34.969402
"23788"	363.047406	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M-2H+K"	36.948606
"467729"	526.096806	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M-2H+K"	36.948606
"843343"	199.998006	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-2H+K"	36.948606
"1567926"	199.998006	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+K-2H"	36.948606
"956905"	208.047594	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-H+HCOOH"	44.998194
"370743"	371.097001	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+HCOOH-H"	44.998201
"358635"	385.112651	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+Hac-H"	59.013851
"1505281"	222.063251	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Hac-H"	59.013851
"970638"	230.029551	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-H+NaCOOH"	66.980151
"122460"	198.018802	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+2Cl"	69.938804
"563478"	279.543502	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+2Cl"	69.938804
"1035558"	116.494102	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2Cl"	69.938804
"1251125"	241.968285	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Br"	78.918885
"1313573"	244.024272	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Cl+HCOOH"	80.974872
"1322686"	266.006229	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Cl+NaCOOH"	102.956829
"919943"	276.034986	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M-H+CF3COOH"	112.985586
"1294464"	312.011664	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Cl+CF3COOH"	148.962264
"1377000"	128.036724	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H-2H2O"	-35.012676
"1392309"	146.0467	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H-H2O"	-17.0027
"290906"	327.106076	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+H"	1.007276
"685516"	490.155476	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+H"	1.007276
"1362963"	164.056676	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H"	1.007276
"135852"	164.056676	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+2H"	2.014552
"579783"	245.581376	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+2H"	2.014552
"1046397"	82.531976	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2H"	2.014552
"217827"	109.706876	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+3H"	3.021828
"657139"	164.056676	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+3H"	3.021828
"1176357"	55.357076	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+3H"	3.021828
"434164"	344.132623	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+NH4"	18.033823
"799538"	507.182023	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+NH4"	18.033823
"1695505"	181.083223	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+NH4"	18.033823
"339772"	172.5699495	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+H+NH4"	19.041099
"735479"	254.0946495	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+H+NH4"	19.041099
"1491614"	91.0452495	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H+NH4"	19.041099
"407497"	349.088018	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+Na"	22.989218
"768980"	512.137418	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+Na"	22.989218
"1614159"	186.038618	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Na"	22.989218
"328453"	175.047647	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+H+Na"	23.996494
"721242"	256.572347	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+H+Na"	23.996494
"1474819"	93.522947	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H+Na"	23.996494
"1067090"	62.68439	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2H+Na"	25.00377
"1268278"	196.082886	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+CH3OH+H"	33.033486
"386853"	365.061958	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+K"	38.963158
"745663"	528.111358	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+K"	38.963158
"1549901"	202.012558	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+K"	38.963158
"309264"	183.034617	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+H+K"	39.970434
"701687"	264.559317	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+H+K"	39.970434
"1450043"	101.509917	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H+K"	39.970434
"244113"	368.132626	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+ACN+H"	42.033826
"1219008"	205.083226	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+ACN+H"	42.033826
"1205080"	103.045251	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+ACN+2H"	43.041102
"195764"	371.06996	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+2Na-H"	44.97116
"632042"	534.11936	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+2Na-H"	44.97116
"1138829"	208.02056	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2Na-H"	44.97116
"183211"	186.038618	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+2Na"	45.978436
"617669"	267.563318	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+2Na"	45.978436
"1118622"	104.513918	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2Na"	45.978436
"1399955"	70.011704	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H+2Na"	46.985712
"1433167"	210.062146	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H+HCOOH"	47.012746
"222136"	191.07164	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+3H2O+2H"	56.04448
"1511291"	224.11419	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+IsoProp+H"	61.06479
"409881"	194.025588	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+Na+K"	61.952376
"770874"	275.550288	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+Na+K"	61.952376
"1669399"	112.500888	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Na+K"	61.952376
"254464"	390.114568	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+ACN+Na"	64.015768
"1232645"	227.065168	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+ACN+Na"	64.015768
"1719345"	227.088693	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+NH4+HCOOH"	64.039293
"1186888"	77.339018	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+3Na"	68.967654
"1656783"	232.044088	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Na+HCOOH"	68.994688
"161457"	403.01784	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+2K-H"	76.91904
"601016"	566.06724	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+2K-H"	76.91904
"1093182"	239.96844	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2K-H"	76.91904
"147811"	202.012558	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"2M+2K"	77.926316
"590652"	283.537258	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"3M+2K"	77.926316
"1074071"	120.487858	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2K"	77.926316
"1108373"	241.982992	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2K+H"	78.933592
"1348040"	242.070607	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+DMSO+H"	79.021207
"1008915"	246.109776	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2ACN+H"	83.060376
"1529226"	247.103408	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+IsoProp+Na+H"	84.054008
"992396"	123.558526	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+2ACN+2H"	84.067652
"1589085"	248.018028	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+K+HCOOH"	84.968628
"1414863"	278.049538	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+H+CF3COOH"	115.000138
"1149411"	144.071801	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+3ACN+2H"	125.094202
"1697992"	295.076085	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+NH4+CF3COOH"	132.026685
"1644458"	300.03148	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+Na+CF3COOH"	136.98208
"1571846"	316.00542	"C00715"	"Pterin;2-Amino-4-oxopteridine;2-Amino-4-hydroxypteridine"	"C6H5N5O"	"163.0494"	"M+K+CF3COOH"	152.95602
"812665"	105.0426	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M"	0
"980730"	86.02421	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-H2O-H"	-19.01839
"70066"	69.021124	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M-3H"	-3.021828
"512907"	104.035324	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M-3H"	-3.021828
"887431"	34.006924	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-3H"	-3.021828
"14755"	104.035324	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M-2H"	-2.014552
"455585"	156.556624	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M-2H"	-2.014552
"822284"	51.514024	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-2H"	-2.014552
"82275"	209.077924	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M-H"	-1.007276
"521834"	314.120524	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M-H"	-1.007276
"902915"	104.035324	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-H"	-1.007276
"56197"	226.104471	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M-2H+NH4"	16.019271
"496851"	331.147071	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M-2H+NH4"	16.019271
"879557"	121.061871	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-2H+NH4"	16.019271
"42190"	231.059866	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M-2H+Na"	20.974666
"479927"	336.102466	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M-2H+Na"	20.974666
"861375"	126.017266	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-2H+Na"	20.974666
"1629453"	126.017266	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Na-2H"	20.974666
"107075"	122.023663	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M-H+Cl"	33.962126
"547972"	174.544963	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M-H+Cl"	33.962126
"940514"	69.502363	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-H+Cl"	33.962126
"279436"	245.054602	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+Cl"	34.969402
"673681"	350.097202	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+Cl"	34.969402
"1284624"	140.012002	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Cl"	34.969402
"23898"	247.033806	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M-2H+K"	36.948606
"470877"	352.076406	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M-2H+K"	36.948606
"847828"	141.991206	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-2H+K"	36.948606
"1569131"	141.991206	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+K-2H"	36.948606
"955192"	150.040794	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-H+HCOOH"	44.998194
"374500"	255.083401	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+HCOOH-H"	44.998201
"360570"	269.099051	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+Hac-H"	59.013851
"1504661"	164.056451	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Hac-H"	59.013851
"972936"	172.022751	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-H+NaCOOH"	66.980151
"125244"	140.012002	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+2Cl"	69.938804
"561765"	192.533302	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+2Cl"	69.938804
"1031658"	87.490702	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2Cl"	69.938804
"1253422"	183.961485	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Br"	78.918885
"1318056"	186.017472	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Cl+HCOOH"	80.974872
"1327899"	207.999429	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Cl+NaCOOH"	102.956829
"923333"	218.028186	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M-H+CF3COOH"	112.985586
"1297854"	254.004864	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Cl+CF3COOH"	148.962264
"1377110"	70.029924	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H-2H2O"	-35.012676
"1393512"	88.0399	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H-H2O"	-17.0027
"298506"	211.092476	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+H"	1.007276
"690731"	316.135076	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+H"	1.007276
"1365991"	106.049876	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H"	1.007276
"140339"	106.049876	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+2H"	2.014552
"578803"	158.571176	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+2H"	2.014552
"1046507"	53.528576	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2H"	2.014552
"217329"	71.035676	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+3H"	3.021828
"656885"	106.049876	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+3H"	3.021828
"1170997"	36.021476	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+3H"	3.021828
"435367"	228.119023	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+NH4"	18.033823
"800013"	333.161623	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+NH4"	18.033823
"1696344"	123.076423	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+NH4"	18.033823
"339882"	114.5631495	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+H+NH4"	19.041099
"737412"	167.0844495	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+H+NH4"	19.041099
"1491961"	62.0418495	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H+NH4"	19.041099
"406996"	233.074418	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+Na"	22.989218
"766896"	338.117018	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+Na"	22.989218
"1616818"	128.031818	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Na"	22.989218
"325031"	117.040847	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+H+Na"	23.996494
"721102"	169.562147	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+H+Na"	23.996494
"1476016"	64.519547	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H+Na"	23.996494
"1065982"	43.34879	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2H+Na"	25.00377
"1269116"	138.076086	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+CH3OH+H"	33.033486
"387326"	249.048358	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+K"	38.963158
"746864"	354.090958	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+K"	38.963158
"1547822"	144.005758	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+K"	38.963158
"308278"	125.027817	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+H+K"	39.970434
"701794"	177.549117	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+H+K"	39.970434
"1452337"	72.506517	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H+K"	39.970434
"248592"	252.119026	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+ACN+H"	42.033826
"1222395"	147.076426	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+ACN+H"	42.033826
"1206283"	74.041851	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+ACN+2H"	43.041102
"198062"	255.05636	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+2Na-H"	44.97116
"643089"	360.09896	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+2Na-H"	44.97116
"1145379"	150.01376	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2Na-H"	44.97116
"185508"	128.031818	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+2Na"	45.978436
"619603"	180.553118	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+2Na"	45.978436
"1120920"	75.510518	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2Na"	45.978436
"1401523"	50.676104	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H+2Na"	46.985712
"1434735"	152.055346	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H+HCOOH"	47.012746
"222247"	133.06484	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+3H2O+2H"	56.04448
"1515415"	166.10739	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+IsoProp+H"	61.06479
"411450"	136.018788	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+Na+K"	61.952376
"772077"	188.540088	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+Na+K"	61.952376
"1668417"	83.497488	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Na+K"	61.952376
"254573"	274.100968	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+ACN+Na"	64.015768
"1234943"	169.058368	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+ACN+Na"	64.015768
"1720548"	169.081893	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+NH4+HCOOH"	64.039293
"1190278"	58.003418	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+3Na"	68.967654
"1659080"	174.037288	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Na+HCOOH"	68.994688
"163755"	287.00424	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+2K-H"	76.91904
"604407"	392.04684	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+2K-H"	76.91904
"1096572"	181.96164	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2K-H"	76.91904
"156305"	144.005758	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"2M+2K"	77.926316
"589669"	196.527058	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"3M+2K"	77.926316
"1079648"	91.484458	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2K"	77.926316
"1106296"	183.976192	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2K+H"	78.933592
"1348150"	184.063807	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+DMSO+H"	79.021207
"1011212"	188.102976	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2ACN+H"	83.060376
"1526056"	189.096608	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+IsoProp+Na+H"	84.054008
"992505"	94.555126	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+2ACN+2H"	84.067652
"1588465"	190.011228	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+K+HCOOH"	84.968628
"1414489"	220.042738	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+H+CF3COOH"	115.000138
"1147453"	115.068401	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+3ACN+2H"	125.094202
"1698344"	237.069285	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+NH4+CF3COOH"	132.026685
"1641288"	242.02468	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+Na+CF3COOH"	136.98208
"1571835"	257.99862	"C00716"	"Serine;2-Amino-3-hydroxypropionic acid;3-Hydroxyalanine"	"C3H7NO3"	"105.0426"	"M+K+CF3COOH"	152.95602
"812779"	117.079	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M"	0
"988866"	98.06061	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"70181"	77.0453906666667	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"515212"	116.071724	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"887547"	38.0190573333333	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"1750"	116.071724	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"444589"	174.611224	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"819475"	57.532224	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"85662"	233.150724	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"533731"	350.229724	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"903025"	116.071724	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"56308"	250.177271	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"491495"	367.256271	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"874762"	133.098271	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"42301"	255.132666	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"480038"	372.211666	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"858936"	138.053666	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1623003"	138.053666	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"104999"	134.060063	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"549177"	192.599563	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"942530"	75.520563	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"282684"	269.127402	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"670143"	386.206402	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1285834"	152.048402	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"29484"	271.106606	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"470866"	388.185606	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"846482"	154.027606	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1567054"	154.027606	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"954936"	162.077194	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"370961"	279.156201	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"357034"	293.171851	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1508369"	176.092851	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"972681"	184.059151	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"123408"	152.048402	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"559688"	210.587902	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1024476"	93.508902	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1252439"	195.997885	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1318168"	198.053872	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1333481"	220.035829	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"924538"	230.064586	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1303434"	266.041264	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1382420"	82.066324	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1397277"	100.0763	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"296602"	235.165276	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"689023"	352.244276	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1365736"	118.086276	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"140451"	118.086276	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"576724"	176.625776	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1045523"	59.546776	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"217800"	79.0599426666667	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"654078"	118.086276	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1177309"	40.0336093333333	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"438400"	252.191823	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"800368"	369.270823	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1694992"	135.112823	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"344005"	126.5995495	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"733509"	185.1390495	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1488424"	68.0600495	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"402730"	257.147218	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"763727"	374.226218	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1609637"	140.068218	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"322953"	129.077247	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"716471"	187.616747	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1470293"	70.537747	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1062443"	47.3609233333333	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1269597"	150.112486	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"391450"	273.121158	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"746976"	390.200158	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1549027"	156.042158	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"310582"	137.064217	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"703003"	195.603717	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1456822"	78.524717	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"246515"	276.191826	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1223600"	159.112826	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1209797"	80.060051	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"203516"	279.12916	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"638822"	396.20816	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1143421"	162.05016	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"181243"	140.068218	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"618977"	198.607718	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1122118"	81.528718	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1400168"	54.6882373333333	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1435204"	164.091746	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"222349"	145.10124	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1510413"	178.14379	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"412295"	148.055188	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"772190"	206.594688	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1673638"	89.515688	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"263439"	298.173768	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1239067"	181.094768	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1727714"	181.118293	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1184924"	62.0155513333333	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1659189"	186.073688	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"163865"	311.07704	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"609984"	428.15604	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1092310"	193.99804	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"145847"	156.042158	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"587594"	214.581658	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1071378"	97.502658	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1106409"	196.012592	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1341700"	196.100207	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1010227"	200.139376	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1527260"	201.133008	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"992979"	100.573326	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1590406"	202.047628	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1422628"	232.079138	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1157290"	121.086601	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1703562"	249.105685	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1641400"	254.06108	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1575957"	270.03502	"C00719"	"Betaine;Trimethylaminoacetate;Glycine betaine;NNN-Trimethylglycine;Trimethylammonioacetate"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"812890"	206.0435	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M"	0
"983144"	187.02511	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-H2O-H"	-19.01839
"68107"	136.355057333333	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M-3H"	-3.021828
"507664"	205.036224	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M-3H"	-3.021828
"886561"	67.6738906666667	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-3H"	-3.021828
"8416"	205.036224	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M-2H"	-2.014552
"452351"	308.057974	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M-2H"	-2.014552
"826872"	102.014474	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-2H"	-2.014552
"89052"	411.079724	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M-H"	-1.007276
"532986"	617.123224	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M-H"	-1.007276
"907509"	205.036224	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-H"	-1.007276
"59697"	428.106271	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M-2H+NH4"	16.019271
"501932"	634.149771	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M-2H+NH4"	16.019271
"879209"	222.062771	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-2H+NH4"	16.019271
"44595"	433.061666	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M-2H+Na"	20.974666
"481971"	639.105166	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M-2H+Na"	20.974666
"864071"	227.018166	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-2H+Na"	20.974666
"1631858"	227.018166	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Na-2H"	20.974666
"109898"	223.024563	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M-H+Cl"	33.962126
"547948"	326.046313	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M-H+Cl"	33.962126
"930895"	120.002813	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-H+Cl"	33.962126
"277836"	447.056402	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+Cl"	34.969402
"673537"	653.099902	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+Cl"	34.969402
"1281566"	241.012902	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Cl"	34.969402
"29593"	449.035606	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M-2H+K"	36.948606
"468060"	655.079106	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M-2H+K"	36.948606
"843675"	242.992106	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-2H+K"	36.948606
"1566799"	242.992106	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+K-2H"	36.948606
"953224"	251.041694	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-H+HCOOH"	44.998194
"375814"	457.085201	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+HCOOH-H"	44.998201
"357143"	471.100851	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+Hac-H"	59.013851
"1505978"	265.057351	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Hac-H"	59.013851
"966955"	273.023651	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-H+NaCOOH"	66.980151
"119143"	241.012902	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+2Cl"	69.938804
"560892"	344.034652	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+2Cl"	69.938804
"1034795"	137.991152	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2Cl"	69.938804
"1256197"	284.962385	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Br"	78.918885
"1319664"	287.018372	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Cl+HCOOH"	80.974872
"1335055"	309.000329	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Cl+NaCOOH"	102.956829
"926479"	319.029086	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M-H+CF3COOH"	112.985586
"1304073"	355.005764	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Cl+CF3COOH"	148.962264
"1382732"	171.030824	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H-2H2O"	-35.012676
"1397752"	189.0408	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H-H2O"	-17.0027
"297074"	413.094276	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+H"	1.007276
"688766"	619.137776	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+H"	1.007276
"1364018"	207.050776	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H"	1.007276
"132172"	207.050776	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+2H"	2.014552
"574648"	310.072526	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+2H"	2.014552
"1044541"	104.029026	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2H"	2.014552
"211351"	138.369609333333	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+3H"	3.021828
"656746"	207.050776	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+3H"	3.021828
"1165392"	69.6884426666667	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+3H"	3.021828
"429030"	430.120823	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+NH4"	18.033823
"796223"	636.164323	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+NH4"	18.033823
"1689640"	224.077323	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+NH4"	18.033823
"342656"	215.5640495	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+H+NH4"	19.041099
"733253"	318.5857995	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+H+NH4"	19.041099
"1480876"	112.5422995	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H+NH4"	19.041099
"401741"	435.076218	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+Na"	22.989218
"757640"	641.119718	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+Na"	22.989218
"1605378"	229.032718	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Na"	22.989218
"316507"	218.041747	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+H+Na"	23.996494
"712210"	321.063497	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+H+Na"	23.996494
"1470407"	115.019997	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H+Na"	23.996494
"1062559"	77.0157566666667	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2H+Na"	25.00377
"1263142"	239.076986	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+CH3OH+H"	33.033486
"386089"	451.050158	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+K"	38.963158
"743805"	657.093658	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+K"	38.963158
"1544766"	245.006658	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+K"	38.963158
"308505"	226.028717	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+H+K"	39.970434
"699831"	329.050467	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+H+K"	39.970434
"1449281"	123.006967	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H+K"	39.970434
"242254"	454.120826	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+ACN+H"	42.033826
"1212407"	248.077326	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+ACN+H"	42.033826
"1198846"	124.542301	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+ACN+2H"	43.041102
"198276"	457.05816	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+2Na-H"	44.97116
"630546"	663.10166	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+2Na-H"	44.97116
"1135508"	251.01466	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2Na-H"	44.97116
"175884"	229.032718	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+2Na"	45.978436
"618733"	332.054468	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+2Na"	45.978436
"1123333"	126.010968	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2Na"	45.978436
"1409048"	84.3430706666667	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H+2Na"	46.985712
"1441164"	253.056246	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H+HCOOH"	47.012746
"222840"	234.06574	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+3H2O+2H"	56.04448
"1513453"	267.10829	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+IsoProp+H"	61.06479
"416425"	237.019688	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+Na+K"	61.952376
"780700"	340.041438	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+Na+K"	61.952376
"1673750"	133.997938	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Na+K"	61.952376
"259175"	476.102768	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+ACN+Na"	64.015768
"1234073"	270.059268	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+ACN+Na"	64.015768
"1724051"	270.082793	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+NH4+HCOOH"	64.039293
"1194077"	91.6703846666667	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+3Na"	68.967654
"1665537"	275.038188	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Na+HCOOH"	68.994688
"171504"	489.00604	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+2K-H"	76.91904
"605717"	695.04954	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+2K-H"	76.91904
"1093512"	282.96254	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2K-H"	76.91904
"150330"	245.006658	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"2M+2K"	77.926316
"588795"	348.028408	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"3M+2K"	77.926316
"1074401"	141.984908	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2K"	77.926316
"1104330"	284.977092	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2K+H"	78.933592
"1344004"	285.064707	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+DMSO+H"	79.021207
"1014725"	289.103876	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2ACN+H"	83.060376
"1536128"	290.097508	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+IsoProp+Na+H"	84.054008
"999298"	145.055576	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+2ACN+2H"	84.067652
"1599996"	291.012128	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+K+HCOOH"	84.968628
"1419457"	321.043638	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+H+CF3COOH"	115.000138
"1155215"	165.568851	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+3ACN+2H"	125.094202
"1702578"	338.070185	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+NH4+CF3COOH"	132.026685
"1639326"	343.02558	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+Na+CF3COOH"	136.98208
"1573885"	358.99952	"C00725"	"Lipoate;Lipoic acid;Thioctic acid;dl-alpha-Lipoic acid;DL-Thioctic acid"	"C8H14O2S2"	"206.0435"	"M+K+CF3COOH"	152.95602
"803160"	124.0524	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M"	0
"977787"	105.03401	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"64937"	81.694324	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"507776"	123.045124	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"882298"	40.343524	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"629"	123.045124	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"443715"	185.071324	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"823703"	61.018924	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"82600"	247.097524	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"523255"	371.149924	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"901059"	123.045124	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"49967"	264.124071	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"494995"	388.176471	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"871702"	140.071671	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"41792"	269.079466	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"482445"	393.131866	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"861342"	145.027066	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1633876"	145.027066	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"106310"	141.033463	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"541500"	203.059663	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"936110"	79.007263	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"275759"	283.074202	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"671460"	407.126602	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1281679"	159.021802	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"27515"	285.053406	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"464889"	409.105806	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"843785"	161.001006	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1566176"	161.001006	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"948590"	169.050594	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"370088"	293.103001	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"357619"	307.118651	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1503898"	183.066251	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"963783"	191.032551	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"113785"	159.021802	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"562097"	221.048002	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1033812"	96.995602	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1254848"	202.971285	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1318762"	205.027272	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1335596"	227.009229	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"926717"	237.037986	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1303990"	273.014664	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1380973"	89.039724	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1397863"	107.0497	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"291349"	249.112076	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"684864"	373.164476	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1361216"	125.059676	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"130824"	125.059676	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"577311"	187.085876	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1045748"	63.033476	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"210368"	83.708876	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"658315"	125.059676	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1171336"	42.358076	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"428045"	266.138623	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"791229"	390.191023	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1687559"	142.086223	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"340213"	133.5729495	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"733363"	195.5991495	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1486455"	71.5467495	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"400766"	271.094018	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"762856"	395.146418	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1604637"	147.041618	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"320994"	136.050647	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"715603"	198.076847	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1476677"	74.024447	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1062670"	49.68539	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1264346"	157.085886	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"381828"	287.067958	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"741728"	411.120358	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1544877"	163.015558	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"306426"	144.037617	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"696662"	206.063817	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1451578"	82.011417	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"239084"	290.138626	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1212884"	166.086226	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1195669"	83.546751	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"189268"	293.07596	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"629435"	417.12836	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1133069"	169.02356	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"174542"	147.041618	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"613862"	209.067818	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1117977"	85.015418	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1406972"	57.012704	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1442369"	171.065146	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"223318"	152.07464	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1515754"	185.11719	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"416535"	155.028588	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"780810"	217.054788	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1673861"	93.002388	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"260379"	312.120568	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1237463"	188.068168	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1724162"	188.091693	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1189516"	64.340018	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1662688"	193.047088	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"167361"	325.02384	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"608014"	449.07624	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1093622"	200.97144	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"149345"	163.015558	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"586718"	225.041758	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1074510"	100.989358	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1102981"	202.985992	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1349586"	203.073607	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1015929"	207.112776	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1532961"	208.106408	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"997220"	104.060026	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1592816"	209.021028	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1418476"	239.052538	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1147913"	124.573301	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1700503"	256.079085	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1639436"	261.03448	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1573995"	277.00842	"C00727"	"Orcinol;5-Methyl-13-benzenediol;5-Methylresorcinol;35-Toluenediol;35-Dihydroxytoluene"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"813111"	141.1154	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M"	0
"977897"	122.09701	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-H2O-H"	-19.01839
"65047"	93.0696573333333	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M-3H"	-3.021828
"505699"	140.108124	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M-3H"	-3.021828
"882408"	46.0311906666667	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-3H"	-3.021828
"85"	140.108124	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M-2H"	-2.014552
"443825"	210.665824	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M-2H"	-2.014552
"823813"	69.550424	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-2H"	-2.014552
"81616"	281.223524	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M-H"	-1.007276
"523365"	422.338924	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M-H"	-1.007276
"904450"	140.108124	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-H"	-1.007276
"53357"	298.250071	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M-2H+NH4"	16.019271
"490732"	439.365471	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M-2H+NH4"	16.019271
"871812"	157.134671	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-2H+NH4"	16.019271
"42632"	303.205466	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M-2H+Na"	20.974666
"482555"	444.320866	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M-2H+Na"	20.974666
"862547"	162.090066	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-2H+Na"	20.974666
"1633051"	162.090066	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Na-2H"	20.974666
"107513"	158.096463	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M-H+Cl"	33.962126
"537235"	228.654163	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M-H+Cl"	33.962126
"935127"	87.538763	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-H+Cl"	33.962126
"275869"	317.200202	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+Cl"	34.969402
"668290"	458.315602	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+Cl"	34.969402
"1282882"	176.084802	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Cl"	34.969402
"27625"	319.179406	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M-2H+K"	36.948606
"463905"	460.294806	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M-2H+K"	36.948606
"843167"	178.064006	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-2H+K"	36.948606
"1566286"	178.064006	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+K-2H"	36.948606
"949793"	186.113594	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-H+HCOOH"	44.998194
"369102"	327.229001	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+HCOOH-H"	44.998201
"352989"	341.244651	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+Hac-H"	59.013851
"1500728"	200.129251	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Hac-H"	59.013851
"963893"	208.095551	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-H+NaCOOH"	66.980151
"114988"	176.084802	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+2Cl"	69.938804
"562207"	246.642502	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+2Cl"	69.938804
"1033922"	105.527102	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2Cl"	69.938804
"1254230"	220.034285	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Br"	78.918885
"1319236"	222.090272	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Cl+HCOOH"	80.974872
"1335161"	244.072229	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Cl+NaCOOH"	102.956829
"926094"	254.100986	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M-H+CF3COOH"	112.985586
"1303286"	290.077664	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Cl+CF3COOH"	148.962264
"1380476"	106.102724	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H-2H2O"	-35.012676
"1397851"	124.1127	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H-H2O"	-17.0027
"290366"	283.238076	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+H"	1.007276
"682787"	424.353476	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+H"	1.007276
"1361325"	142.122676	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H"	1.007276
"132026"	142.122676	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+2H"	2.014552
"573775"	212.680376	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+2H"	2.014552
"1042577"	71.564976	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2H"	2.014552
"213758"	95.0842093333333	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+3H"	3.021828
"645300"	142.122676	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+3H"	3.021828
"1164520"	48.0457426666667	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+3H"	3.021828
"424875"	300.264623	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+NH4"	18.033823
"788059"	441.380023	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+NH4"	18.033823
"1687668"	159.149223	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+NH4"	18.033823
"334854"	150.6359495	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+H+NH4"	19.041099
"730557"	221.1936495	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+H+NH4"	19.041099
"1484378"	80.0782495	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H+NH4"	19.041099
"400876"	305.220018	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+Na"	22.989218
"765154"	446.335418	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+Na"	22.989218
"1608879"	164.104618	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Na"	22.989218
"321104"	153.113647	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+H+Na"	23.996494
"718994"	223.671347	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+H+Na"	23.996494
"1476224"	82.555947	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H+Na"	23.996494
"1063873"	55.3730566666667	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2H+Na"	25.00377
"1263363"	174.148886	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+CH3OH+H"	33.033486
"381938"	321.193958	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+K"	38.963158
"744025"	462.309358	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+K"	38.963158
"1543893"	180.078558	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+K"	38.963158
"303256"	161.100617	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+H+K"	39.970434
"698958"	231.658317	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+H+K"	39.970434
"1452781"	90.542917	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H+K"	39.970434
"239193"	324.264626	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+ACN+H"	42.033826
"1213357"	183.149226	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+ACN+H"	42.033826
"1198334"	92.078251	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+ACN+2H"	43.041102
"189257"	327.20196	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+2Na-H"	44.97116
"629303"	468.31736	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+2Na-H"	44.97116
"1131837"	186.08656	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2Na-H"	44.97116
"174284"	164.104618	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+2Na"	45.978436
"613848"	234.662318	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+2Na"	45.978436
"1116261"	93.546918	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2Na"	45.978436
"1400516"	62.7003706666667	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H+2Na"	46.985712
"1442115"	188.128146	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H+HCOOH"	47.012746
"223428"	169.13764	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+3H2O+2H"	56.04448
"1515863"	202.18019	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+IsoProp+H"	61.06479
"414092"	172.091588	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+Na+K"	61.952376
"778733"	242.649288	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+Na+K"	61.952376
"1672147"	101.533888	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Na+K"	61.952376
"259395"	346.246568	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+ACN+Na"	64.015768
"1239758"	205.131168	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+ACN+Na"	64.015768
"1726458"	205.154693	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+NH4+HCOOH"	64.039293
"1194178"	70.0276846666667	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+3Na"	68.967654
"1661705"	210.110088	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Na+HCOOH"	68.994688
"167472"	359.14984	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+2K-H"	76.91904
"605938"	500.26524	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+2K-H"	76.91904
"1090086"	218.03444	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2K-H"	76.91904
"147632"	180.078558	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"2M+2K"	77.926316
"586100"	250.636258	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"3M+2K"	77.926316
"1072434"	109.520858	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2K"	77.926316
"1102726"	220.048992	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2K+H"	78.933592
"1349696"	220.136607	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+DMSO+H"	79.021207
"1018225"	224.175776	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2ACN+H"	83.060376
"1535257"	225.169408	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+IsoProp+Na+H"	84.054008
"998424"	112.591526	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+2ACN+2H"	84.067652
"1592926"	226.084028	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+K+HCOOH"	84.968628
"1419680"	256.115538	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+H+CF3COOH"	115.000138
"1152156"	133.104801	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+3ACN+2H"	125.094202
"1700613"	273.142085	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+NH4+CF3COOH"	132.026685
"1639546"	278.09748	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+Na+CF3COOH"	136.98208
"1574105"	294.07142	"C00729"	"Tropine;3alpha-Tropanol"	"C8H15NO"	"141.1154"	"M+K+CF3COOH"	152.95602
"806660"	308.1736	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M"	0
"978007"	289.15521	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-H2O-H"	-19.01839
"65157"	204.441790666667	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M-3H"	-3.021828
"507996"	307.166324	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M-3H"	-3.021828
"882518"	101.717257333333	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-3H"	-3.021828
"354"	307.166324	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M-2H"	-2.014552
"443935"	461.253124	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M-2H"	-2.014552
"820643"	153.079524	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-2H"	-2.014552
"81727"	615.339924	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M-H"	-1.007276
"523475"	923.513524	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M-H"	-1.007276
"903467"	307.166324	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-H"	-1.007276
"53467"	632.366471	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M-2H+NH4"	16.019271
"494122"	940.540071	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M-2H+NH4"	16.019271
"871922"	324.192871	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-2H+NH4"	16.019271
"42013"	637.321866	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M-2H+Na"	20.974666
"482666"	945.495466	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M-2H+Na"	20.974666
"861564"	329.148266	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-2H+Na"	20.974666
"1632190"	329.148266	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Na-2H"	20.974666
"105437"	325.154663	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M-H+Cl"	33.962126
"538438"	479.241463	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M-H+Cl"	33.962126
"934143"	171.067863	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-H+Cl"	33.962126
"272699"	651.316602	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+Cl"	34.969402
"662933"	959.490202	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+Cl"	34.969402
"1285545"	343.143002	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Cl"	34.969402
"29802"	653.295806	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M-2H+K"	36.948606
"465109"	961.469406	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M-2H+K"	36.948606
"842912"	345.122206	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-2H+K"	36.948606
"1563117"	345.122206	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+K-2H"	36.948606
"944801"	353.171794	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-H+HCOOH"	44.998194
"364840"	661.345401	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+HCOOH-H"	44.998201
"355286"	675.361051	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+Hac-H"	59.013851
"1504119"	367.187451	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Hac-H"	59.013851
"965098"	375.153751	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-H+NaCOOH"	66.980151
"114006"	343.143002	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+2Cl"	69.938804
"564145"	497.229802	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+2Cl"	69.938804
"1035490"	189.056202	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2Cl"	69.938804
"1253975"	387.092485	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Br"	78.918885
"1313146"	389.148472	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Cl+HCOOH"	80.974872
"1335473"	411.130429	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Cl+NaCOOH"	102.956829
"925352"	421.159186	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M-H+CF3COOH"	112.985586
"1300602"	457.135864	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Cl+CF3COOH"	148.962264
"1379857"	273.160924	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H-2H2O"	-35.012676
"1396990"	291.1709	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H-H2O"	-17.0027
"286102"	617.354476	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+H"	1.007276
"686908"	925.528076	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+H"	1.007276
"1361435"	309.180876	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H"	1.007276
"136146"	309.180876	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+2H"	2.014552
"573884"	463.267676	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+2H"	2.014552
"1042687"	155.094076	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2H"	2.014552
"210588"	206.456342666667	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+3H"	3.021828
"651243"	309.180876	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+3H"	3.021828
"1165353"	103.731809333333	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+3H"	3.021828
"425830"	634.381023	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+NH4"	18.033823
"791450"	942.554623	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+NH4"	18.033823
"1686686"	326.207423	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+NH4"	18.033823
"333872"	317.6941495	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+H+NH4"	19.041099
"727387"	471.7809495	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+H+NH4"	19.041099
"1482301"	163.6073495	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H+NH4"	19.041099
"400986"	639.336418	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+Na"	22.989218
"765264"	947.510018	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+Na"	22.989218
"1608989"	331.162818	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Na"	22.989218
"321214"	320.171847	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+H+Na"	23.996494
"720927"	474.258647	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+H+Na"	23.996494
"1474992"	166.085047	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H+Na"	23.996494
"1065076"	111.059123333333	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2H+Na"	25.00377
"1262379"	341.207086	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+CH3OH+H"	33.033486
"380955"	655.310358	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+K"	38.963158
"743041"	963.483958	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+K"	38.963158
"1543638"	347.136758	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+K"	38.963158
"302635"	328.158817	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+H+K"	39.970434
"697975"	482.245617	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+H+K"	39.970434
"1455078"	174.072017	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H+K"	39.970434
"242586"	658.381026	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+ACN+H"	42.033826
"1213469"	350.207426	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+ACN+H"	42.033826
"1196620"	175.607351	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+ACN+2H"	43.041102
"190584"	661.31836	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+2Na-H"	44.97116
"630266"	969.49196	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+2Na-H"	44.97116
"1133284"	353.14476	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2Na-H"	44.97116
"175852"	331.162818	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+2Na"	45.978436
"615414"	485.249618	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+2Na"	45.978436
"1116610"	177.076018	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2Na"	45.978436
"1399895"	118.386437333333	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H+2Na"	46.985712
"1441497"	355.186346	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H+HCOOH"	47.012746
"223902"	336.19584	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+3H2O+2H"	56.04448
"1513785"	369.23839	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+IsoProp+H"	61.06479
"421858"	339.149788	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+Na+K"	61.952376
"778479"	493.236588	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+Na+K"	61.952376
"1670799"	185.062988	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Na+K"	61.952376
"259505"	680.362968	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+ACN+Na"	64.015768
"1236953"	372.189368	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+ACN+Na"	64.015768
"1725113"	372.212893	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+NH4+HCOOH"	64.039293
"1188642"	125.713751333333	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+3Na"	68.967654
"1661815"	377.168288	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Na+HCOOH"	68.994688
"168676"	693.26624	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+2K-H"	76.91904
"608235"	1001.43984	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+2K-H"	76.91904
"1094935"	385.09264	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2K-H"	76.91904
"154789"	347.136758	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"2M+2K"	77.926316
"586939"	501.223558	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"3M+2K"	77.926316
"1072179"	193.049958	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2K"	77.926316
"1103565"	387.107192	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2K+H"	78.933592
"1346523"	387.194807	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+DMSO+H"	79.021207
"1016148"	391.233976	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2ACN+H"	83.060376
"1536462"	392.227608	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+IsoProp+Na+H"	84.054008
"999629"	196.120626	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+2ACN+2H"	84.067652
"1595224"	393.142228	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+K+HCOOH"	84.968628
"1420885"	423.173738	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+H+CF3COOH"	115.000138
"1150078"	216.633901	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+3ACN+2H"	125.094202
"1698900"	440.200285	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+NH4+CF3COOH"	132.026685
"1637469"	445.15568	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+Na+CF3COOH"	136.98208
"1574215"	461.12962	"C00732"	"Ubenimex"	"C16H24N2O4"	"308.1736"	"M+K+CF3COOH"	152.95602
"813334"	362.2093	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M"	0
"978118"	343.19091	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"68547"	240.465590666667	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"510294"	361.202024	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"882992"	119.729157333333	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"3392"	361.202024	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"444045"	542.306674	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"821846"	180.097374	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"82931"	723.411324	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"523585"	1085.620624	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"901390"	361.202024	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"50298"	740.437871	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"494232"	1102.647171	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"878230"	378.228571	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"45402"	745.393266	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"484962"	1107.602566	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"861674"	383.183966	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1629019"	383.183966	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"102268"	379.190363	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"537455"	560.295013	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"934253"	198.085713	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"277184"	759.388002	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"664137"	1121.597302	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1284196"	397.178702	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"24564"	761.367206	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"463032"	1123.576506	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"844115"	399.157906	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1562134"	399.157906	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"951109"	407.207494	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"370418"	769.416801	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"353208"	783.432451	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1500947"	421.223151	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"968489"	429.189451	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"114116"	397.178702	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"563529"	578.283352	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1035118"	216.074052	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1254818"	441.128185	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1319300"	443.184172	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1334973"	465.166129	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"922546"	475.194886	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1298526"	511.171564	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1379603"	327.196624	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1392358"	345.2066	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"288399"	725.425876	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"681915"	1087.635176	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1360089"	363.216576	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"133342"	363.216576	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"570714"	544.321226	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1046443"	182.111926	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"210698"	242.480142666667	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"644912"	363.216576	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1164007"	121.743709333333	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"426188"	742.452423	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"792654"	1104.661723	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1687890"	380.243123	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"332159"	371.7298495	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"727497"	552.8344995	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1490071"	190.6251995	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"395628"	747.407818	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"766467"	1109.617118	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1608005"	385.198518	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"325698"	374.207547	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"717027"	555.312197	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1476317"	193.102897	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1065188"	129.071023333333	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1264677"	395.242786	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"385440"	763.381758	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"741331"	1125.591058	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1543748"	401.172458	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"303841"	382.194517	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"696992"	563.299167	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1451906"	201.089867	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"240508"	766.452426	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1213941"	404.243126	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1196732"	202.625201	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"191063"	769.38976	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"630257"	1131.59906	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1132670"	407.18046	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"175963"	385.198518	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"614435"	566.303168	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1116842"	204.093868	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1406206"	136.398337333333	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1439418"	409.222046	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"224013"	390.23154	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1512803"	423.27409	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"414676"	393.185488	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"775674"	574.290138	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1670909"	212.080838	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"257429"	788.434368	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1235607"	426.225068	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1727289"	426.248593	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1188755"	143.725651333333	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1660469"	431.203988	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"166599"	801.33764	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"605066"	1163.54694	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1092858"	439.12834	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"150768"	401.172458	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"589237"	582.277108	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1072654"	220.067808	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1106967"	441.142892	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1344447"	441.230507	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1017354"	445.269676	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1535479"	446.263308	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"1003020"	223.138476	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1598615"	447.177928	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1420994"	477.209438	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1148366"	243.651751	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1698647"	494.235985	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1637579"	499.19138	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1574327"	515.16532	"C00735"	"Cortisol;Hydrocortisone;11beta17alpha21-Trihydroxy-4-pregnene-320-dione;Kendalls compound F;Reichsteins substance M"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"815631"	121.0197	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M"	0
"983694"	102.00131	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H2O-H"	-19.01839
"73031"	79.672524	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-3H"	-3.021828
"508217"	120.012424	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-3H"	-3.021828
"882738"	39.332624	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-3H"	-3.021828
"3502"	120.012424	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H"	-2.014552
"440428"	180.522274	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H"	-2.014552
"819040"	59.502574	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H"	-2.014552
"83041"	241.032124	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-H"	-1.007276
"524788"	362.051824	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-H"	-1.007276
"901500"	120.012424	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H"	-1.007276
"50408"	258.058671	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+NH4"	16.019271
"494342"	379.078371	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+NH4"	16.019271
"878703"	137.038971	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+NH4"	16.019271
"44055"	263.014066	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+Na"	20.974666
"483979"	384.033766	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+Na"	20.974666
"858505"	141.994366	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+Na"	20.974666
"1625849"	141.994366	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na-2H"	20.974666
"99097"	138.000763	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-H+Cl"	33.962126
"540846"	198.510613	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-H+Cl"	33.962126
"932176"	77.490913	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+Cl"	33.962126
"272919"	277.008802	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Cl"	34.969402
"660721"	398.028502	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Cl"	34.969402
"1276651"	155.989102	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl"	34.969402
"17019"	278.988006	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+K"	36.948606
"459861"	400.007706	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+K"	36.948606
"839850"	157.968306	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+K"	36.948606
"1561150"	157.968306	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K-2H"	36.948606
"950126"	166.017894	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+HCOOH"	44.998194
"366153"	287.037601	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+HCOOH-H"	44.998201
"348943"	301.053251	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Hac-H"	59.013851
"1495590"	180.033551	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Hac-H"	59.013851
"965319"	187.999851	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+NaCOOH"	66.980151
"112039"	155.989102	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Cl"	69.938804
"564367"	216.498952	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Cl"	69.938804
"1035592"	95.479252	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Cl"	69.938804
"1254201"	199.938585	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Br"	78.918885
"1319087"	201.994572	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+HCOOH"	80.974872
"1334151"	223.976529	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+NaCOOH"	102.956829
"923384"	234.005286	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+CF3COOH"	112.985586
"1301551"	269.981964	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+CF3COOH"	148.962264
"1380808"	86.007024	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H-2H2O"	-35.012676
"1396113"	104.017	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H-H2O"	-17.0027
"294343"	243.046676	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H"	1.007276
"686034"	364.066376	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H"	1.007276
"1360563"	122.026976	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H"	1.007276
"132357"	122.026976	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2H"	2.014552
"571917"	182.536826	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2H"	2.014552
"1044001"	61.517126	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2H"	2.014552
"210808"	81.687076	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+3H"	3.021828
"644900"	122.026976	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+3H"	3.021828
"1163390"	41.347176	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3H"	3.021828
"426298"	260.073223	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+NH4"	18.033823
"791671"	381.092923	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+NH4"	18.033823
"1688000"	139.053523	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4"	18.033823
"331905"	130.5402495	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+NH4"	19.041099
"727607"	191.0500995	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+NH4"	19.041099
"1490911"	70.0303995	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+NH4"	19.041099
"395738"	265.028618	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Na"	22.989218
"763296"	386.048318	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Na"	22.989218
"1609209"	144.008918	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na"	22.989218
"321433"	133.017947	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+Na"	23.996494
"713855"	193.527797	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+Na"	23.996494
"1472052"	72.508097	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+Na"	23.996494
"1063110"	48.67449	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2H+Na"	25.00377
"1264787"	154.053186	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+CH3OH+H"	33.033486
"382270"	281.002558	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+K"	38.963158
"740346"	402.022258	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+K"	38.963158
"1541667"	159.982858	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K"	38.963158
"301034"	141.004917	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+K"	39.970434
"694186"	201.514767	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+K"	39.970434
"1446913"	80.495067	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+K"	39.970434
"238431"	284.073226	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+ACN+H"	42.033826
"1212592"	163.053526	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+H"	42.033826
"1197204"	82.030401	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+2H"	43.041102
"190199"	287.01056	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Na-H"	44.97116
"629029"	408.03026	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Na-H"	44.97116
"1132165"	165.99086	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Na-H"	44.97116
"174129"	144.008918	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Na"	45.978436
"614545"	204.518768	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Na"	45.978436
"1115738"	83.499068	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Na"	45.978436
"1406316"	56.001804	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+2Na"	46.985712
"1431873"	168.032446	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+HCOOH"	47.012746
"224122"	149.04194	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+3H2O+2H"	56.04448
"1512913"	182.08449	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+IsoProp+H"	61.06479
"413693"	151.995888	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Na+K"	61.952376
"772864"	212.505738	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Na+K"	61.952376
"1669926"	91.486038	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+K"	61.952376
"256810"	306.055168	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+ACN+Na"	64.015768
"1235717"	185.035468	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+Na"	64.015768
"1722780"	185.058993	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4+HCOOH"	64.039293
"1193975"	63.329118	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3Na"	68.967654
"1661671"	190.014388	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+HCOOH"	68.994688
"167803"	318.95844	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2K-H"	76.91904
"605175"	439.97814	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2K-H"	76.91904
"1091874"	197.93874	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K-H"	76.91904
"150878"	159.982858	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2K"	77.926316
"588253"	220.492708	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2K"	77.926316
"1077138"	99.473008	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K"	77.926316
"1107076"	199.953292	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K+H"	78.933592
"1343464"	200.040907	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+DMSO+H"	79.021207
"1017464"	204.080076	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2ACN+H"	83.060376
"1535589"	205.073708	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+IsoProp+Na+H"	84.054008
"1003130"	102.543676	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2ACN+2H"	84.067652
"1598725"	205.988328	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K+HCOOH"	84.968628
"1421104"	236.019838	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+CF3COOH"	115.000138
"1147383"	123.056951	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3ACN+2H"	125.094202
"1698757"	253.046385	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4+CF3COOH"	132.026685
"1637689"	258.00178	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+CF3COOH"	136.98208
"1574437"	273.97572	"C00736"	"Cysteine;2-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K+CF3COOH"	152.95602
"813556"	180.0634	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M"	0
"983806"	161.04501	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"70956"	119.034990666667	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"508328"	179.056124	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"888316"	59.0138573333333	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"3610"	179.056124	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"440740"	269.087824	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"818786"	89.024424	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"84243"	359.119524	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"525991"	539.182924	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"902703"	179.056124	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"50518"	376.146071	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"493359"	556.209471	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"876627"	196.082671	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"43802"	381.101466	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"484089"	561.164866	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"859709"	201.038066	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1625959"	201.038066	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"100300"	197.044463	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"540956"	287.076163	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"931192"	107.012763	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"271935"	395.096202	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"661076"	575.159602	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1278947"	215.032802	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"17250"	397.075406	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"461064"	577.138806	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"836679"	217.012006	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1562354"	217.012006	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"954245"	225.061594	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"366263"	405.125001	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"348688"	419.140651	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1495700"	239.077251	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"966522"	247.043551	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"113242"	215.032802	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"554991"	305.064502	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1030351"	125.001102	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1253211"	258.982285	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1318832"	261.038272	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1334990"	283.020229	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"923129"	293.048986	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1299839"	329.025664	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1380554"	145.050724	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1396224"	163.0607	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"294817"	361.134076	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"686512"	541.197476	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1363589"	181.070676	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"131374"	181.070676	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"573122"	271.102376	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1047393"	91.038976	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"214198"	121.049542666667	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"651572"	181.070676	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1166417"	61.0284093333333	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"430782"	378.160623	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"788500"	558.224023	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1685923"	198.097223	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"333108"	189.5839495	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"724801"	279.6156495	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1477066"	99.5522495	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"392926"	383.116018	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"757939"	563.179418	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1604216"	203.052618	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"318264"	192.061647	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"709593"	282.093347	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1468882"	102.029947	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1062127"	68.3557233333333	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1261253"	213.096886	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"381287"	399.089958	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"738634"	579.153358	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1540037"	219.026558	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"300779"	200.048617	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"693203"	290.080317	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1448847"	110.016917	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"237811"	402.160626	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1211366"	222.097226	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1196223"	111.552251	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"189826"	405.09796	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"628936"	585.16136	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1131827"	225.03456	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"173997"	203.052618	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"614048"	293.084318	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1116209"	113.020918	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1402053"	75.6830373333333	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1430888"	227.076146	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"224596"	208.08564	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1510471"	241.12819	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"409428"	211.039588	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"771516"	301.071288	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1666389"	121.007888	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"256920"	424.142568	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1228901"	244.079168	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1720339"	244.102693	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1185692"	83.0103513333333	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1655584"	249.058088	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"162808"	437.04584	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"603098"	617.10924	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1090891"	256.98244	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"150988"	219.026558	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"587269"	309.058258	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1069592"	128.994858	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1104996"	258.996992	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1337374"	259.084607	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1020005"	263.123776	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1538251"	264.117408	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1002149"	132.065526	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1598836"	265.032028	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1422308"	295.063538	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1150409"	152.578801	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1698867"	312.090085	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1637799"	317.04548	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1574547"	333.01942	"C00737"	"D-Aldose;D-Aldose1;D-Aldose2"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"816218"	180.0634	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M"	0
"986466"	161.04501	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"74347"	119.034990666667	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"508439"	179.056124	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"887332"	59.0138573333333	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"7000"	179.056124	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"447655"	269.087824	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"825456"	89.024424	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"88728"	359.119524	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"523916"	539.182924	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"906820"	179.056124	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"51719"	376.146071	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"494560"	556.209471	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"872362"	196.082671	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"40264"	381.101466	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"479824"	561.164866	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"858720"	201.038066	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1622789"	201.038066	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"101502"	197.044463	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"539973"	287.076163	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"930209"	107.012763	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"272045"	395.096202	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"665560"	575.159602	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1277963"	215.032802	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"19426"	397.075406	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"464454"	577.138806	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"841163"	217.012006	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1562464"	217.012006	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"952533"	225.061594	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"370748"	405.125001	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"352443"	419.140651	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1496538"	239.077251	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"966632"	247.043551	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"116632"	215.032802	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"554007"	305.064502	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1028276"	125.001102	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1250042"	258.982285	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1319066"	261.038272	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1334981"	283.020229	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"926765"	293.048986	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1303960"	329.025664	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1382678"	145.050724	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1396702"	163.0607	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"293836"	361.134076	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"686621"	541.197476	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1363699"	181.070676	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"134764"	181.070676	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"571044"	271.102376	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1046407"	91.038976	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"214308"	121.049542666667	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"653507"	181.070676	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1167622"	61.0284093333333	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"430892"	378.160623	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791890"	558.224023	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1689313"	198.097223	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"336497"	189.5839495	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"730014"	279.6156495	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1478492"	99.5522495	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"393888"	383.116018	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"764609"	563.179418	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1607239"	203.052618	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"315457"	192.061647	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"715171"	282.093347	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1474460"	102.029947	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1058957"	68.3557233333333	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1260999"	213.096886	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"381397"	399.089958	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"738906"	579.153358	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1540024"	219.026558	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"299433"	200.048617	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"693313"	290.080317	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1451144"	110.016917	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"238652"	402.160626	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1212815"	222.097226	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1196334"	111.552251	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"189811"	405.09796	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"630100"	585.16136	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1131400"	225.03456	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"173290"	203.052618	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"614158"	293.084318	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1115871"	113.020918	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1402164"	75.6830373333333	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1431729"	227.076146	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"221547"	208.08564	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1510216"	241.12819	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"409902"	211.039588	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"773449"	301.071288	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1669415"	121.007888	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"254843"	424.142568	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1232656"	244.079168	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1723728"	244.102693	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1186896"	83.0103513333333	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1657881"	249.058088	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"164742"	437.04584	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"605395"	617.10924	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1094281"	256.98244	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"152192"	219.026558	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"588472"	309.058258	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1074077"	128.994858	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1106200"	258.996992	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1340397"	259.084607	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1008198"	263.123776	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1526689"	264.117408	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1003352"	132.065526	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1600040"	265.032028	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1420232"	295.063538	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1153801"	152.578801	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1700071"	312.090085	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1639003"	317.04548	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1574657"	333.01942	"C00738"	"D-Hexose;Hexose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"813774"	146.1055	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M"	0
"980744"	127.08711	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H2O-H"	-19.01839
"70080"	96.3963906666667	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-3H"	-3.021828
"507455"	145.098224	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-3H"	-3.021828
"884162"	47.6945573333333	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-3H"	-3.021828
"3828"	145.098224	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H"	-2.014552
"448857"	218.150974	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H"	-2.014552
"826660"	72.045474	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H"	-2.014552
"87745"	291.203724	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-H"	-1.007276
"527306"	437.309224	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-H"	-1.007276
"904014"	145.098224	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H"	-1.007276
"51829"	308.230271	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H+NH4"	16.019271
"494670"	454.335771	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H+NH4"	16.019271
"874659"	162.124771	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H+NH4"	16.019271
"40374"	313.185666	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H+Na"	20.974666
"479934"	459.291166	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H+Na"	20.974666
"855550"	167.080166	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H+Na"	20.974666
"1626179"	167.080166	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na-2H"	20.974666
"105986"	163.086563	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-H+Cl"	33.962126
"540083"	236.139313	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-H+Cl"	33.962126
"930319"	90.033813	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+Cl"	33.962126
"271062"	327.180402	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Cl"	34.969402
"665670"	473.285902	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+Cl"	34.969402
"1278073"	181.074902	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl"	34.969402
"19536"	329.159606	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M-2H+K"	36.948606
"464564"	475.265106	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M-2H+K"	36.948606
"842366"	183.054106	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-2H+K"	36.948606
"1568041"	183.054106	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K-2H"	36.948606
"953736"	191.103694	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+HCOOH"	44.998194
"371951"	337.209201	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+HCOOH-H"	44.998201
"354739"	351.224851	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Hac-H"	59.013851
"1500292"	205.119351	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Hac-H"	59.013851
"966742"	213.085651	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+NaCOOH"	66.980151
"117835"	181.074902	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2Cl"	69.938804
"555210"	254.127652	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2Cl"	69.938804
"1026197"	108.022152	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2Cl"	69.938804
"1249057"	225.024385	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Br"	78.918885
"1318811"	227.080372	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl+HCOOH"	80.974872
"1333029"	249.062329	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl+NaCOOH"	102.956829
"925543"	259.091086	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M-H+CF3COOH"	112.985586
"1303587"	295.067764	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Cl+CF3COOH"	148.962264
"1382232"	111.092824	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H-2H2O"	-35.012676
"1397784"	129.1028	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H-H2O"	-17.0027
"293945"	293.218276	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H"	1.007276
"689281"	439.323776	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H"	1.007276
"1364901"	147.112776	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H"	1.007276
"137790"	147.112776	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2H"	2.014552
"571154"	220.165526	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2H"	2.014552
"1046153"	74.060026	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2H"	2.014552
"216970"	98.4109426666667	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+3H"	3.021828
"651794"	147.112776	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+3H"	3.021828
"1164451"	49.7091093333333	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+3H"	3.021828
"433189"	310.244823	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+NH4"	18.033823
"789813"	456.350323	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+NH4"	18.033823
"1687236"	164.139323	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+NH4"	18.033823
"335514"	155.6260495	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H+NH4"	19.041099
"729031"	228.6787995	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H+NH4"	19.041099
"1478481"	82.5732995	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+NH4"	19.041099
"394606"	315.200218	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Na"	22.989218
"761438"	461.305718	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+Na"	22.989218
"1605162"	169.094718	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na"	22.989218
"317388"	158.103747	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H+Na"	23.996494
"715281"	231.156497	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H+Na"	23.996494
"1473476"	85.050997	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+Na"	23.996494
"1056880"	57.0364233333333	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2H+Na"	25.00377
"1261838"	179.138986	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+CH3OH+H"	33.033486
"381507"	331.174158	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+K"	38.963158
"741042"	477.279658	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+K"	38.963158
"1541636"	185.068658	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K"	38.963158
"301365"	166.090717	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+H+K"	39.970434
"697432"	239.143467	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+H+K"	39.970434
"1451254"	93.037967	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+K"	39.970434
"242041"	334.244826	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+ACN+H"	42.033826
"1213654"	188.139326	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+ACN+H"	42.033826
"1196807"	94.573301	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+ACN+2H"	43.041102
"189311"	337.18216	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2Na-H"	44.97116
"629845"	483.28766	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2Na-H"	44.97116
"1132254"	191.07666	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2Na-H"	44.97116
"173845"	169.094718	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2Na"	45.978436
"612827"	242.147468	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2Na"	45.978436
"1115643"	96.041968	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2Na"	45.978436
"1403732"	64.3637373333333	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+2Na"	46.985712
"1430502"	193.118246	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+HCOOH"	47.012746
"221293"	174.12774	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+3H2O+2H"	56.04448
"1510326"	207.17029	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+IsoProp+H"	61.06479
"408624"	177.081688	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+Na+K"	61.952376
"769984"	250.134438	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+Na+K"	61.952376
"1669159"	104.028938	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na+K"	61.952376
"251594"	356.226768	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+ACN+Na"	64.015768
"1228389"	210.121268	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+ACN+Na"	64.015768
"1717276"	210.144793	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+NH4+HCOOH"	64.039293
"1183724"	71.6910513333333	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+3Na"	68.967654
"1656898"	215.100188	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na+HCOOH"	68.994688
"163758"	369.13004	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2K-H"	76.91904
"603317"	515.23554	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2K-H"	76.91904
"1093297"	223.02454	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2K-H"	76.91904
"147928"	185.068658	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"2M+2K"	77.926316
"588581"	258.121408	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"3M+2K"	77.926316
"1073093"	112.015908	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2K"	77.926316
"1105216"	225.039092	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2K+H"	78.933592
"1338685"	225.126707	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+DMSO+H"	79.021207
"1010131"	229.165876	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2ACN+H"	83.060376
"1529354"	230.159508	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+IsoProp+Na+H"	84.054008
"999084"	115.086576	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+2ACN+2H"	84.067652
"1600150"	231.074128	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K+HCOOH"	84.968628
"1421435"	261.105638	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+H+CF3COOH"	115.000138
"1153911"	135.599851	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+3ACN+2H"	125.094202
"1700181"	278.132185	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+NH4+CF3COOH"	132.026685
"1638019"	283.08758	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+Na+CF3COOH"	136.98208
"1575860"	299.06152	"C00739"	"D-Lysine;D-26-Diaminohexanoic acid"	"C6H14N2O2"	"146.1055"	"M+K+CF3COOH"	152.95602
"814978"	105.0426	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M"	0
"984134"	86.02421	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-H2O-H"	-19.01839
"70190"	69.021124	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M-3H"	-3.021828
"510845"	104.035324	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M-3H"	-3.021828
"885366"	34.006924	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-3H"	-3.021828
"5032"	104.035324	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M-2H"	-2.014552
"448967"	156.556624	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M-2H"	-2.014552
"828956"	51.514024	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-2H"	-2.014552
"87855"	209.077924	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M-H"	-1.007276
"530696"	314.120524	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M-H"	-1.007276
"907404"	104.035324	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-H"	-1.007276
"60322"	226.104471	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M-2H+NH4"	16.019271
"495875"	331.147071	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M-2H+NH4"	16.019271
"873677"	121.061871	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-2H+NH4"	16.019271
"44860"	231.059866	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M-2H+Na"	20.974666
"480044"	336.102466	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M-2H+Na"	20.974666
"858940"	126.017266	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-2H+Na"	20.974666
"1629569"	126.017266	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Na-2H"	20.974666
"103911"	122.023663	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M-H+Cl"	33.962126
"542380"	174.544963	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M-H+Cl"	33.962126
"935897"	69.502363	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-H+Cl"	33.962126
"274454"	245.054602	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+Cl"	34.969402
"669060"	350.097202	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+Cl"	34.969402
"1282557"	140.012002	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Cl"	34.969402
"22927"	247.033806	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M-2H+K"	36.948606
"462488"	352.076406	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M-2H+K"	36.948606
"840290"	141.991206	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-2H+K"	36.948606
"1567057"	141.991206	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+K-2H"	36.948606
"954940"	150.040794	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-H+HCOOH"	44.998194
"374248"	255.083401	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+HCOOH-H"	44.998201
"360929"	269.099051	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+Hac-H"	59.013851
"1500403"	164.056451	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Hac-H"	59.013851
"970133"	172.022751	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-H+NaCOOH"	66.980151
"115758"	140.012002	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+2Cl"	69.938804
"556778"	192.533302	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+2Cl"	69.938804
"1030680"	87.490702	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2Cl"	69.938804
"1249167"	183.961485	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Br"	78.918885
"1318552"	186.017472	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Cl+HCOOH"	80.974872
"1332402"	207.999429	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Cl+NaCOOH"	102.956829
"926257"	218.028186	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M-H+CF3COOH"	112.985586
"1303655"	254.004864	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Cl+CF3COOH"	148.962264
"1382466"	70.029924	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H-2H2O"	-35.012676
"1398018"	88.0399	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H-H2O"	-17.0027
"298067"	211.092476	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+H"	1.007276
"690488"	316.135076	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+H"	1.007276
"1366109"	106.049876	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H"	1.007276
"140455"	106.049876	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+2H"	2.014552
"579648"	158.571176	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+2H"	2.014552
"1046627"	53.528576	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2H"	2.014552
"215258"	71.035676	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+3H"	3.021828
"651904"	106.049876	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+3H"	3.021828
"1174403"	36.021476	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+3H"	3.021828
"431114"	228.119023	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+NH4"	18.033823
"795392"	333.161623	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+NH4"	18.033823
"1682367"	123.076423	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+NH4"	18.033823
"333074"	114.5631495	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+H+NH4"	19.041099
"732421"	167.0844495	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+H+NH4"	19.041099
"1478591"	62.0418495	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H+NH4"	19.041099
"394352"	233.074418	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+Na"	22.989218
"761548"	338.117018	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+Na"	22.989218
"1606365"	128.031818	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Na"	22.989218
"319686"	117.040847	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+H+Na"	23.996494
"715391"	169.562147	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+H+Na"	23.996494
"1469211"	64.519547	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H+Na"	23.996494
"1055897"	43.34879	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2H+Na"	25.00377
"1259761"	138.076086	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+CH3OH+H"	33.033486
"385991"	249.048358	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+K"	38.963158
"742611"	354.090958	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+K"	38.963158
"1545756"	144.005758	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+K"	38.963158
"305121"	125.027817	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+H+K"	39.970434
"699730"	177.549117	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+H+K"	39.970434
"1451364"	72.506517	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H+K"	39.970434
"243244"	252.119026	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+ACN+H"	42.033826
"1217045"	147.076426	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+ACN+H"	42.033826
"1202022"	74.041851	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+ACN+2H"	43.041102
"190154"	255.05636	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+2Na-H"	44.97116
"630199"	360.09896	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+2Na-H"	44.97116
"1133220"	150.01376	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2Na-H"	44.97116
"173840"	128.031818	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+2Na"	45.978436
"613036"	180.553118	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+2Na"	45.978436
"1116300"	75.510518	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2Na"	45.978436
"1408945"	50.676104	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H+2Na"	46.985712
"1431584"	152.055346	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H+HCOOH"	47.012746
"223104"	133.06484	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+3H2O+2H"	56.04448
"1515539"	166.10739	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+IsoProp+H"	61.06479
"410852"	136.018788	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+Na+K"	61.952376
"775127"	188.540088	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+Na+K"	61.952376
"1670363"	83.497488	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Na+K"	61.952376
"251897"	274.100968	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+ACN+Na"	64.015768
"1227406"	169.058368	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+ACN+Na"	64.015768
"1718480"	169.081893	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+NH4+HCOOH"	64.039293
"1182741"	58.003418	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+3Na"	68.967654
"1657008"	174.037288	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Na+HCOOH"	68.994688
"163868"	287.00424	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+2K-H"	76.91904
"603427"	392.04684	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+2K-H"	76.91904
"1093408"	181.96164	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2K-H"	76.91904
"150223"	144.005758	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"2M+2K"	77.926316
"589784"	196.527058	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"3M+2K"	77.926316
"1073202"	91.484458	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2K"	77.926316
"1105326"	183.976192	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2K+H"	78.933592
"1341714"	184.063807	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+DMSO+H"	79.021207
"1010241"	188.102976	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2ACN+H"	83.060376
"1529464"	189.096608	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+IsoProp+Na+H"	84.054008
"993726"	94.555126	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+2ACN+2H"	84.067652
"1598073"	190.011228	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+K+HCOOH"	84.968628
"1421544"	220.042738	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+H+CF3COOH"	115.000138
"1152928"	115.068401	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+3ACN+2H"	125.094202
"1697201"	237.069285	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+NH4+CF3COOH"	132.026685
"1635942"	242.02468	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+Na+CF3COOH"	136.98208
"1573054"	257.99862	"C00740"	"D-Serine"	"C3H7NO3"	"105.0426"	"M+K+CF3COOH"	152.95602
"813993"	86.0368	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M"	0
"987524"	67.01841	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"68113"	56.3505906666667	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"512047"	85.029524	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"888755"	27.6716573333333	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"9517"	85.029524	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"453451"	128.047924	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"830159"	42.011124	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"91619"	171.066324	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"529354"	257.103124	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"909341"	85.029524	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"58613"	188.092871	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"500359"	274.129671	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"875974"	102.056071	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"45945"	193.048266	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"485990"	279.085066	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"863063"	107.011466	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1631866"	107.011466	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"108394"	103.017863	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"546865"	146.036263	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"934913"	59.999463	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"275658"	207.043002	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"672454"	293.079802	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1280482"	121.006202	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"28142"	209.022206	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"469160"	295.059006	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"844775"	122.985406	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1568992"	122.985406	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"957808"	131.034994	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"372172"	217.071801	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"360313"	231.087451	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1504888"	145.050651	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"973523"	153.016951	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"118056"	121.006202	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"563084"	164.024602	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1032978"	77.987802	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1256211"	164.955685	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1319027"	167.011672	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1332875"	188.993629	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"926489"	199.022386	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1303891"	234.999064	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1382541"	51.024124	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1398362"	69.0341	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"297692"	173.080876	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"691214"	259.117676	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1365124"	87.044076	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"139104"	87.044076	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"577937"	130.062476	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1045644"	44.025676	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"216097"	58.3651426666667	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"652016"	87.044076	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1171235"	29.6862093333333	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"433411"	190.107423	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"792223"	276.144223	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1691834"	104.070623	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"341204"	95.5573495	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"730344"	138.5757495	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1483075"	52.5389495	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"404669"	195.062818	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"760564"	281.099618	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1606473"	109.026018	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"319794"	98.035047	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"716594"	141.053447	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1470413"	55.016647	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1058192"	37.0135233333333	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1264244"	119.070286	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"385007"	211.036758	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"746002"	297.073558	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1550240"	124.999958	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"307415"	106.022017	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"700933"	149.040417	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1453660"	63.003617	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"246634"	214.107426	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1222622"	128.070626	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1207600"	64.538951	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"195004"	217.04476	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"632742"	303.08156	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1136979"	131.00796	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"175896"	109.026018	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"613510"	152.044418	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1117018"	66.007618	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1407962"	44.3408373333333	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1437890"	133.049546	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"225401"	114.05904	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1515649"	147.10159	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"410962"	117.012988	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"777424"	160.031388	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1671566"	73.994588	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"254807"	236.089368	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1230797"	150.052568	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1720777"	150.076093	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1188319"	51.6681513333333	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1663315"	155.031488	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"169447"	248.99264	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"609007"	335.02944	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1096799"	162.95584	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"150334"	124.999958	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"592085"	168.018358	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1076595"	81.981558	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1106529"	164.970392	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1340729"	165.058007	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1011444"	169.097176	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1530668"	170.090808	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"996021"	85.052226	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1592707"	171.005428	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1417278"	201.036938	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1151943"	105.565501	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1697128"	218.063485	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1634958"	223.01888	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1574987"	238.99282	"C00741"	"Diacetyl;Biacetyl;Dimethylglyoxal;23-Butanedione"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"816291"	18.9984	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M"	0
"989579"	-0.01999	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-H2O-H"	-19.01839
"70410"	11.658324	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M-3H"	-3.021828
"511064"	17.991124	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M-3H"	-3.021828
"889958"	5.325524	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-3H"	-3.021828
"10720"	17.991124	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M-2H"	-2.014552
"455384"	27.490324	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M-2H"	-2.014552
"829177"	8.491924	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-2H"	-2.014552
"92817"	36.989524	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M-H"	-1.007276
"531650"	55.987924	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M-H"	-1.007276
"908719"	17.991124	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-H"	-1.007276
"60544"	54.016071	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M-2H+NH4"	16.019271
"500469"	73.014471	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M-2H+NH4"	16.019271
"878270"	35.017671	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-2H+NH4"	16.019271
"45078"	58.971466	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M-2H+Na"	20.974666
"485010"	77.969866	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M-2H+Na"	20.974666
"862078"	39.973066	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-2H+Na"	20.974666
"1632705"	39.973066	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Na-2H"	20.974666
"108505"	35.979463	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M-H+Cl"	33.962126
"543693"	45.478663	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M-H+Cl"	33.962126
"936116"	26.480263	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-H+Cl"	33.962126
"271392"	72.966202	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+Cl"	34.969402
"663812"	91.964602	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+Cl"	34.969402
"1279497"	53.967802	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Cl"	34.969402
"20960"	74.945406	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M-2H+K"	36.948606
"462709"	93.943806	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M-2H+K"	36.948606
"841604"	55.947006	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-2H+K"	36.948606
"1568008"	55.947006	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+K-2H"	36.948606
"955526"	63.996594	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-H+HCOOH"	44.998194
"371918"	82.995001	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+HCOOH-H"	44.998201
"359450"	97.010651	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+Hac-H"	59.013851
"1504998"	78.012251	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Hac-H"	59.013851
"970353"	85.978551	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-H+NaCOOH"	66.980151
"115978"	53.967802	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+2Cl"	69.938804
"561007"	63.467002	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+2Cl"	69.938804
"1031994"	44.468602	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2Cl"	69.938804
"1256321"	97.917285	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Br"	78.918885
"1318402"	99.973272	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Cl+HCOOH"	80.974872
"1332983"	121.955229	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Cl+NaCOOH"	102.956829
"924042"	131.983986	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M-H+CF3COOH"	112.985586
"1301115"	167.960664	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Cl+CF3COOH"	148.962264
"1380005"	-16.014276	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H-2H2O"	-35.012676
"1397870"	1.9957	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H-H2O"	-17.0027
"296826"	39.004076	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+H"	1.007276
"688517"	58.002476	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+H"	1.007276
"1364868"	20.005676	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H"	1.007276
"135932"	20.005676	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+2H"	2.014552
"574766"	29.504876	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+2H"	2.014552
"1046847"	10.506476	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2H"	2.014552
"211466"	13.672876	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+3H"	3.021828
"652124"	20.005676	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+3H"	3.021828
"1169156"	7.340076	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+3H"	3.021828
"428053"	56.030623	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+NH4"	18.033823
"788318"	75.029023	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+NH4"	18.033823
"1682343"	37.032223	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+NH4"	18.033823
"332198"	28.5189495	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+H+NH4"	19.041099
"722993"	38.0181495	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+H+NH4"	19.041099
"1479905"	19.0197495	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H+NH4"	19.041099
"394451"	60.986018	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+Na"	22.989218
"757394"	79.984418	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+Na"	22.989218
"1604639"	41.987618	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Na"	22.989218
"316989"	30.996647	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+H+Na"	23.996494
"710506"	40.495847	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+H+Na"	23.996494
"1468335"	21.497447	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H+Na"	23.996494
"1058302"	14.66739	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2H+Na"	25.00377
"1264354"	52.031886	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+CH3OH+H"	33.033486
"386210"	76.959958	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+K"	38.963158
"750484"	95.958358	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+K"	38.963158
"1549256"	57.961558	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+K"	38.963158
"306433"	38.983617	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+H+K"	39.970434
"702134"	48.482817	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+H+K"	39.970434
"1452677"	29.484417	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H+K"	39.970434
"244557"	80.030626	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+ACN+H"	42.033826
"1221639"	61.032226	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+ACN+H"	42.033826
"1206616"	31.019751	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+ACN+2H"	43.041102
"191835"	82.96796	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+2Na-H"	44.97116
"629570"	101.96636	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+2Na-H"	44.97116
"1132714"	63.96956	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2Na-H"	44.97116
"173371"	41.987618	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+2Na"	45.978436
"613380"	51.486818	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+2Na"	45.978436
"1117006"	32.488418	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2Na"	45.978436
"1411352"	21.994704	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H+2Na"	46.985712
"1440187"	66.011146	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H+HCOOH"	47.012746
"225511"	47.02064	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+3H2O+2H"	56.04448
"1515759"	80.06319	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+IsoProp+H"	61.06479
"414352"	49.974588	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+Na+K"	61.952376
"777534"	59.473788	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+Na+K"	61.952376
"1676050"	40.475388	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Na+K"	61.952376
"260384"	102.012568	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+ACN+Na"	64.015768
"1234187"	83.014168	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+ACN+Na"	64.015768
"1724169"	83.037693	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+NH4+HCOOH"	64.039293
"1188430"	29.322018	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+3Na"	68.967654
"1663789"	87.993088	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Na+HCOOH"	68.994688
"171623"	114.91584	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+2K-H"	76.91904
"606930"	133.91424	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+2K-H"	76.91904
"1093629"	95.91744	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2K-H"	76.91904
"148258"	57.961558	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"2M+2K"	77.926316
"591100"	67.460758	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"3M+2K"	77.926316
"1076704"	48.462358	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2K"	77.926316
"1107732"	97.931992	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2K+H"	78.933592
"1341930"	98.019607	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+DMSO+H"	79.021207
"1011555"	102.058776	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2ACN+H"	83.060376
"1534058"	103.052408	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+IsoProp+Na+H"	84.054008
"997224"	51.533026	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+2ACN+2H"	84.067652
"1592822"	103.967028	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+K+HCOOH"	84.968628
"1417749"	133.998538	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+H+CF3COOH"	115.000138
"1152051"	72.046301	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+3ACN+2H"	125.094202
"1698322"	151.025085	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+NH4+CF3COOH"	132.026685
"1634616"	155.98048	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+Na+CF3COOH"	136.98208
"1575097"	171.95442	"C00742"	"Fluoride;F-;Fluoride ion"	"F"	"18.9984"	"M+K+CF3COOH"	152.95602
"814213"	901.5035	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M"	0
"986651"	882.48511	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-H2O-H"	-19.01839
"70520"	599.995057333333	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M-3H"	-3.021828
"508987"	900.496224	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M-3H"	-3.021828
"890068"	299.493890666667	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-3H"	-3.021828
"9736"	900.496224	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M-2H"	-2.014552
"455373"	1351.247974	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M-2H"	-2.014552
"828194"	449.744474	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-2H"	-2.014552
"90743"	1801.999724	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M-H"	-1.007276
"530666"	2703.503224	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M-H"	-1.007276
"908829"	900.496224	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-H"	-1.007276
"59562"	1819.026271	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M-2H+NH4"	16.019271
"499487"	2720.529771	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M-2H+NH4"	16.019271
"877287"	917.522771	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-2H+NH4"	16.019271
"44460"	1823.981666	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M-2H+Na"	20.974666
"485850"	2725.485166	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M-2H+Na"	20.974666
"861824"	922.478166	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-2H+Na"	20.974666
"1631722"	922.478166	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Na-2H"	20.974666
"107887"	918.484563	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M-H+Cl"	33.962126
"542710"	1369.236313	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M-H+Cl"	33.962126
"934039"	467.732813	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-H+Cl"	33.962126
"274780"	1837.976402	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+Cl"	34.969402
"668294"	2739.479902	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+Cl"	34.969402
"1281793"	936.472902	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Cl"	34.969402
"18882"	1839.955606	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M-2H+K"	36.948606
"463911"	2741.459106	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M-2H+K"	36.948606
"842806"	938.452106	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-2H+K"	36.948606
"1566296"	938.452106	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+K-2H"	36.948606
"954906"	946.501694	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-H+HCOOH"	44.998194
"372390"	1848.005201	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+HCOOH-H"	44.998201
"357005"	1862.020851	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+Hac-H"	59.013851
"1505108"	960.517351	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Hac-H"	59.013851
"971557"	968.483651	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-H+NaCOOH"	66.980151
"116088"	936.472902	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+2Cl"	69.938804
"558930"	1387.224652	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+2Cl"	69.938804
"1033563"	485.721152	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2Cl"	69.938804
"1254972"	980.422385	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Br"	78.918885
"1317783"	982.478372	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Cl+HCOOH"	80.974872
"1333093"	1004.460329	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Cl+NaCOOH"	102.956829
"926342"	1014.489086	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M-H+CF3COOH"	112.985586
"1301590"	1050.465764	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Cl+CF3COOH"	148.962264
"1381574"	866.490824	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H-2H2O"	-35.012676
"1397738"	884.5008	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H-H2O"	-17.0027
"297666"	1804.014276	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+H"	1.007276
"688262"	2705.517776	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+H"	1.007276
"1366966"	902.510776	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H"	1.007276
"135679"	902.510776	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+2H"	2.014552
"575602"	1353.262526	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+2H"	2.014552
"1043677"	451.759026	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2H"	2.014552
"208296"	602.009609333333	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+3H"	3.021828
"650048"	902.510776	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+3H"	3.021828
"1165983"	301.508442666667	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+3H"	3.021828
"425976"	1821.040823	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+NH4"	18.033823
"786969"	2722.544323	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+NH4"	18.033823
"1681424"	919.537323	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+NH4"	18.033823
"331214"	911.0240495	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+H+NH4"	19.041099
"722875"	1361.7757995	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+H+NH4"	19.041099
"1480015"	460.2722995	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H+NH4"	19.041099
"394319"	1825.996218	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+Na"	22.989218
"756775"	2727.499718	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+Na"	22.989218
"1604507"	924.492718	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Na"	22.989218
"317827"	913.501747	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+H+Na"	23.996494
"710980"	1364.253497	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+H+Na"	23.996494
"1468445"	462.749997	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H+Na"	23.996494
"1058412"	308.835756666667	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2H+Na"	25.00377
"1263371"	934.536986	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+CH3OH+H"	33.033486
"386320"	1841.970158	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+K"	38.963158
"748407"	2743.473658	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+K"	38.963158
"1546085"	940.466658	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+K"	38.963158
"304356"	921.488717	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+H+K"	39.970434
"702244"	1372.240467	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+H+K"	39.970434
"1452786"	470.736967	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H+K"	39.970434
"243574"	1845.040826	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+ACN+H"	42.033826
"1218469"	943.537326	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+ACN+H"	42.033826
"1197979"	472.272301	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+ACN+2H"	43.041102
"189758"	1847.97816	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+2Na-H"	44.97116
"630772"	2749.48166	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+2Na-H"	44.97116
"1132820"	946.47466	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2Na-H"	44.97116
"173558"	924.492718	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+2Na"	45.978436
"612939"	1375.244468	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+2Na"	45.978436
"1115646"	473.740968	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2Na"	45.978436
"1411462"	316.163070666667	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H+2Na"	46.985712
"1438110"	948.516246	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H+HCOOH"	47.012746
"223434"	929.52574	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+3H2O+2H"	56.04448
"1513682"	962.56829	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+IsoProp+H"	61.06479
"414461"	932.479688	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+Na+K"	61.952376
"775457"	1383.231438	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+Na+K"	61.952376
"1675067"	481.727938	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Na+K"	61.952376
"258308"	1867.022768	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+ACN+Na"	64.015768
"1234297"	965.519268	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+ACN+Na"	64.015768
"1720998"	965.542793	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+NH4+HCOOH"	64.039293
"1184165"	323.490384666667	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+3Na"	68.967654
"1661712"	970.498188	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Na+HCOOH"	68.994688
"168573"	1879.92604	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+2K-H"	76.91904
"607039"	2781.42954	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+2K-H"	76.91904
"1093739"	978.42254	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2K-H"	76.91904
"146182"	940.466658	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"2M+2K"	77.926316
"591210"	1391.218408	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"3M+2K"	77.926316
"1073534"	489.714908	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2K"	77.926316
"1105656"	980.437092	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2K+H"	78.933592
"1343133"	980.524707	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+DMSO+H"	79.021207
"1012758"	984.563876	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2ACN+H"	83.060376
"1535261"	985.557508	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+IsoProp+Na+H"	84.054008
"996241"	492.785576	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+2ACN+2H"	84.067652
"1592932"	986.472128	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+K+HCOOH"	84.968628
"1416766"	1016.503638	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+H+CF3COOH"	115.000138
"1152161"	513.298851	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+3ACN+2H"	125.094202
"1698432"	1033.530185	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+NH4+CF3COOH"	132.026685
"1634687"	1038.48558	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+Na+CF3COOH"	136.98208
"1575207"	1054.45952	"C00744"	"Macrocin;Tylosin C"	"C45H75NO17"	"901.5035"	"M+K+CF3COOH"	152.95602
"814323"	162.1157	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M"	0
"989314"	143.09731	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-H2O-H"	-19.01839
"77070"	107.069857333333	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M-3H"	-3.021828
"511284"	161.108424	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M-3H"	-3.021828
"892367"	53.0312906666667	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-3H"	-3.021828
"7662"	161.108424	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H"	-2.014552
"447223"	242.166274	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H"	-2.014552
"827213"	80.050574	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-2H"	-2.014552
"89758"	323.224124	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M-H"	-1.007276
"529682"	485.339824	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M-H"	-1.007276
"907487"	161.108424	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-H"	-1.007276
"56758"	340.250671	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H+NH4"	16.019271
"498139"	502.366371	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H+NH4"	16.019271
"875942"	178.134971	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-2H+NH4"	16.019271
"43483"	345.206066	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H+Na"	20.974666
"484866"	507.321766	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H+Na"	20.974666
"861209"	183.090366	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-2H+Na"	20.974666
"1631105"	183.090366	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Na-2H"	20.974666
"104352"	179.096763	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M-H+Cl"	33.962126
"543914"	260.154613	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M-H+Cl"	33.962126
"938524"	98.038913	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-H+Cl"	33.962126
"276716"	359.200802	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+Cl"	34.969402
"672051"	521.316502	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+Cl"	34.969402
"1283727"	197.085102	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl"	34.969402
"25553"	361.180006	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H+K"	36.948606
"468397"	523.295706	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H+K"	36.948606
"845103"	199.064306	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-2H+K"	36.948606
"1567499"	199.064306	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+K-2H"	36.948606
"955747"	207.113894	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-H+HCOOH"	44.998194
"372867"	369.229601	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+HCOOH-H"	44.998201
"356384"	383.245251	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+Hac-H"	59.013851
"1504492"	221.129551	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Hac-H"	59.013851
"970576"	229.095851	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-H+NaCOOH"	66.980151
"117291"	197.085102	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+2Cl"	69.938804
"557947"	278.142952	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+2Cl"	69.938804
"1032214"	116.027252	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2Cl"	69.938804
"1252890"	241.034585	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Br"	78.918885
"1317529"	243.090572	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl+HCOOH"	80.974872
"1334542"	265.072529	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl+NaCOOH"	102.956829
"920615"	275.101286	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M-H+CF3COOH"	112.985586
"1303282"	311.077964	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl+CF3COOH"	148.962264
"1381685"	127.103024	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H-2H2O"	-35.012676
"1398173"	145.113	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H-H2O"	-17.0027
"298270"	325.238676	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+H"	1.007276
"690561"	487.354376	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+H"	1.007276
"1363994"	163.122976	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H"	1.007276
"139070"	163.122976	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+2H"	2.014552
"575349"	244.180826	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+2H"	2.014552
"1047067"	82.065126	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2H"	2.014552
"212779"	109.084409333333	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+3H"	3.021828
"654531"	163.122976	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+3H"	3.021828
"1167188"	55.0458426666667	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+3H"	3.021828
"429366"	342.265223	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+NH4"	18.033823
"791453"	504.380923	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+NH4"	18.033823
"1682320"	180.149523	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+NH4"	18.033823
"333878"	171.6362495	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+H+NH4"	19.041099
"725208"	252.6940995	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+H+NH4"	19.041099
"1489966"	90.5783995	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H+NH4"	19.041099
"397710"	347.220618	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+Na"	22.989218
"756885"	509.336318	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+Na"	22.989218
"1605713"	185.104918	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Na"	22.989218
"317573"	174.113947	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+H+Na"	23.996494
"710362"	255.171797	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+H+Na"	23.996494
"1467462"	93.056097	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H+Na"	23.996494
"1057428"	62.3731566666667	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2H+Na"	25.00377
"1264574"	195.149186	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+CH3OH+H"	33.033486
"384243"	363.194558	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+K"	38.963158
"747425"	525.310258	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+K"	38.963158
"1547290"	201.078858	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+K"	38.963158
"311026"	182.100917	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+H+K"	39.970434
"703083"	263.158767	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+H+K"	39.970434
"1452896"	101.043067	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H+K"	39.970434
"243684"	366.265226	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+ACN+H"	42.033826
"1221495"	204.149526	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+ACN+H"	42.033826
"1203556"	102.578401	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+ACN+2H"	43.041102
"190596"	369.20256	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+2Na-H"	44.97116
"630156"	531.31826	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+2Na-H"	44.97116
"1133663"	207.08686	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2Na-H"	44.97116
"173789"	185.104918	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+2Na"	45.978436
"612986"	266.162768	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+2Na"	45.978436
"1116375"	104.047068	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2Na"	45.978436
"1406835"	69.7004706666667	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H+2Na"	46.985712
"1437127"	209.128446	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H+HCOOH"	47.012746
"223544"	190.13794	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+3H2O+2H"	56.04448
"1513792"	223.18049	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+IsoProp+H"	61.06479
"419674"	193.091888	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+Na+K"	61.952376
"775568"	274.149738	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+Na+K"	61.952376
"1672992"	112.034038	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Na+K"	61.952376
"262795"	388.247168	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+ACN+Na"	64.015768
"1233316"	226.131468	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+ACN+Na"	64.015768
"1718923"	226.154993	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+NH4+HCOOH"	64.039293
"1187557"	77.0277846666667	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+3Na"	68.967654
"1658543"	231.110388	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Na+HCOOH"	68.994688
"167591"	401.15044	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+2K-H"	76.91904
"607151"	563.26614	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+2K-H"	76.91904
"1092756"	239.03474	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2K-H"	76.91904
"151760"	201.078858	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"2M+2K"	77.926316
"593507"	282.136708	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"3M+2K"	77.926316
"1074738"	120.021008	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2K"	77.926316
"1103580"	241.049292	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2K+H"	78.933592
"1342150"	241.136907	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+DMSO+H"	79.021207
"1012868"	245.176076	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2ACN+H"	83.060376
"1536464"	246.169708	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+IsoProp+Na+H"	84.054008
"999633"	123.091676	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+2ACN+2H"	84.067652
"1596324"	247.084328	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+K+HCOOH"	84.968628
"1424169"	277.115838	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+H+CF3COOH"	115.000138
"1152270"	143.604951	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+3ACN+2H"	125.094202
"1708383"	294.142385	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+NH4+CF3COOH"	132.026685
"1637474"	299.09778	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+Na+CF3COOH"	136.98208
"1575317"	315.07172	"C00745"	"Nicotine;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;(S)-Nicotine"	"C10H14N2"	"162.1157"	"M+K+CF3COOH"	152.95602
"814433"	1006.4365	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M"	0
"987965"	987.41811	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-H2O-H"	-19.01839
"77301"	669.950390666667	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M-3H"	-3.021828
"510302"	1005.429224	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M-3H"	-3.021828
"884824"	334.471557333333	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-3H"	-3.021828
"4491"	1005.429224	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M-2H"	-2.014552
"444055"	1508.647474	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M-2H"	-2.014552
"822949"	502.210974	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-2H"	-2.014552
"87315"	2011.865724	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M-H"	-1.007276
"527969"	3018.302224	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M-H"	-1.007276
"902491"	1005.429224	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-H"	-1.007276
"57964"	2028.892271	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M-2H+NH4"	16.019271
"497163"	3035.328771	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M-2H+NH4"	16.019271
"876054"	1022.455771	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-2H+NH4"	16.019271
"44686"	2033.847666	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M-2H+Na"	20.974666
"484246"	3040.284166	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M-2H+Na"	20.974666
"861681"	1027.411166	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-2H+Na"	20.974666
"1630486"	1027.411166	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Na-2H"	20.974666
"105554"	1023.417563	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M-H+Cl"	33.962126
"541837"	1526.635813	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M-H+Cl"	33.962126
"933165"	520.199313	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-H+Cl"	33.962126
"279013"	2047.842402	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+Cl"	34.969402
"670702"	3054.278902	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+Cl"	34.969402
"1282743"	1041.405902	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Cl"	34.969402
"28947"	2049.821606	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M-2H+K"	36.948606
"468871"	3056.258106	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M-2H+K"	36.948606
"845212"	1043.385106	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-2H+K"	36.948606
"1568338"	1043.385106	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+K-2H"	36.948606
"955857"	1051.434694	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-H+HCOOH"	44.998194
"372977"	2057.871201	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+HCOOH-H"	44.998201
"356495"	2071.886851	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+Hac-H"	59.013851
"1504236"	1065.450351	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Hac-H"	59.013851
"971053"	1073.416651	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-H+NaCOOH"	66.980151
"122877"	1041.405902	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+2Cl"	69.938804
"560610"	1544.624152	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+2Cl"	69.938804
"1031961"	538.187652	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2Cl"	69.938804
"1251906"	1085.355385	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Br"	78.918885
"1315816"	1087.411372	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Cl+HCOOH"	80.974872
"1334653"	1109.393329	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Cl+NaCOOH"	102.956829
"922184"	1119.422086	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M-H+CF3COOH"	112.985586
"1302538"	1155.398764	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Cl+CF3COOH"	148.962264
"1382725"	971.423824	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H-2H2O"	-35.012676
"1396740"	989.4338	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H-H2O"	-17.0027
"297766"	2013.880276	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+H"	1.007276
"691293"	3020.316776	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+H"	1.007276
"1366419"	1007.443776	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H"	1.007276
"141368"	1007.443776	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+2H"	2.014552
"580563"	1510.662026	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+2H"	2.014552
"1044990"	504.225526	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2H"	2.014552
"214713"	671.964942666667	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+3H"	3.021828
"654641"	1007.443776	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+3H"	3.021828
"1168391"	336.486109333333	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+3H"	3.021828
"436766"	2030.906823	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+NH4"	18.033823
"790471"	3037.343323	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+NH4"	18.033823
"1685709"	1024.470323	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+NH4"	18.033823
"335084"	1015.9570495	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+H+NH4"	19.041099
"728600"	1519.1752995	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+H+NH4"	19.041099
"1486796"	512.7387995	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H+NH4"	19.041099
"400007"	2035.862218	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+Na"	22.989218
"758089"	3042.298718	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+Na"	22.989218
"1609101"	1029.425718	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Na"	22.989218
"319505"	1018.434747	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+H+Na"	23.996494
"710472"	1521.652997	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+H+Na"	23.996494
"1467569"	515.216497	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H+Na"	23.996494
"1058632"	343.813423333333	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2H+Na"	25.00377
"1263591"	1039.469986	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+CH3OH+H"	33.033486
"384351"	2051.836158	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+K"	38.963158
"749722"	3058.272658	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+K"	38.963158
"1550682"	1045.399658	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+K"	38.963158
"308949"	1026.421717	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+H+K"	39.970434
"704652"	1529.639967	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+H+K"	39.970434
"1453005"	523.203467	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H+K"	39.970434
"244887"	2054.906826	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+ACN+H"	42.033826
"1223063"	1048.470326	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+ACN+H"	42.033826
"1205853"	524.738801	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+ACN+2H"	43.041102
"195447"	2057.84416	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+2Na-H"	44.97116
"630629"	3064.28066	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+2Na-H"	44.97116
"1138512"	1051.40766	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2Na-H"	44.97116
"173899"	1029.425718	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+2Na"	45.978436
"613340"	1532.643968	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+2Na"	45.978436
"1119040"	526.207468	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2Na"	45.978436
"1409131"	351.140737333333	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H+2Na"	46.985712
"1440153"	1053.449246	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H+HCOOH"	47.012746
"224748"	1034.45874	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+3H2O+2H"	56.04448
"1517182"	1067.50129	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+IsoProp+H"	61.06479
"420149"	1037.412688	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+Na+K"	61.952376
"773492"	1540.630938	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+Na+K"	61.952376
"1677476"	534.194438	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Na+K"	61.952376
"262904"	2076.888768	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+ACN+Na"	64.015768
"1235613"	1070.452268	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+ACN+Na"	64.015768
"1719034"	1070.475793	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+NH4+HCOOH"	64.039293
"1184388"	358.468051333333	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+3Na"	68.967654
"1658653"	1075.431188	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Na+HCOOH"	68.994688
"161141"	2089.79204	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+2K-H"	76.91904
"607261"	3096.22854	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+2K-H"	76.91904
"1098333"	1083.35554	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2K-H"	76.91904
"150777"	1045.399658	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"2M+2K"	77.926316
"590338"	1548.617908	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"3M+2K"	77.926316
"1078128"	542.181408	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2K"	77.926316
"1102595"	1085.370092	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2K+H"	78.933592
"1340438"	1085.457707	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+DMSO+H"	79.021207
"1007757"	1089.496876	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2ACN+H"	83.060376
"1528922"	1090.490508	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+IsoProp+Na+H"	84.054008
"995370"	545.252076	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+2ACN+2H"	84.067652
"1594246"	1091.405128	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+K+HCOOH"	84.968628
"1426469"	1121.436638	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+H+CF3COOH"	115.000138
"1156758"	565.765351	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+3ACN+2H"	125.094202
"1706307"	1138.463185	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+NH4+CF3COOH"	132.026685
"1639771"	1143.41858	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+Na+CF3COOH"	136.98208
"1575427"	1159.39252	"C00746"	"Oxytocin;Ocytocin;OT;OXT"	"C43H66N12O12S2"	"1006.4365"	"M+K+CF3COOH"	152.95602
"814543"	79.0422	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M"	0
"988075"	60.02381	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-H2O-H"	-19.01839
"74131"	51.687524	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M-3H"	-3.021828
"509319"	78.034924	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M-3H"	-3.021828
"884934"	25.340124	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-3H"	-3.021828
"2415"	78.034924	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M-2H"	-2.014552
"444165"	117.556024	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M-2H"	-2.014552
"821966"	38.513824	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-2H"	-2.014552
"84145"	157.077124	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M-H"	-1.007276
"528079"	236.119324	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M-H"	-1.007276
"902601"	78.034924	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-H"	-1.007276
"58802"	174.103671	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M-2H+NH4"	16.019271
"498729"	253.145871	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M-2H+NH4"	16.019271
"876894"	95.061471	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-2H+NH4"	16.019271
"45159"	179.059066	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M-2H+Na"	20.974666
"485084"	258.101266	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M-2H+Na"	20.974666
"862155"	100.016866	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-2H+Na"	20.974666
"1630960"	100.016866	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Na-2H"	20.974666
"103477"	96.023263	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M-H+Cl"	33.962126
"545228"	135.544363	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M-H+Cl"	33.962126
"937649"	56.502163	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-H+Cl"	33.962126
"279485"	193.053802	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+Cl"	34.969402
"672634"	272.096002	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+Cl"	34.969402
"1282123"	114.011602	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Cl"	34.969402
"29784"	195.033006	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M-2H+K"	36.948606
"469344"	274.075206	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M-2H+K"	36.948606
"845322"	115.990806	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-2H+K"	36.948606
"1568812"	115.990806	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+K-2H"	36.948606
"956332"	124.040394	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-H+HCOOH"	44.998194
"374545"	203.082601	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+HCOOH-H"	44.998201
"357699"	217.098251	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+Hac-H"	59.013851
"1504346"	138.056051	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Hac-H"	59.013851
"971891"	146.022351	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-H+NaCOOH"	66.980151
"124082"	114.011602	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+2Cl"	69.938804
"562908"	153.532702	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+2Cl"	69.938804
"1033527"	74.490502	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2Cl"	69.938804
"1249829"	157.961085	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Br"	78.918885
"1314465"	160.017072	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Cl+HCOOH"	80.974872
"1331963"	181.999029	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Cl+NaCOOH"	102.956829
"923021"	192.027786	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M-H+CF3COOH"	112.985586
"1296452"	228.004464	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Cl+CF3COOH"	148.962264
"1375706"	44.029524	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H-2H2O"	-35.012676
"1391746"	62.0395	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H-H2O"	-17.0027
"297143"	159.091676	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+H"	1.007276
"690537"	238.133876	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+H"	1.007276
"1362389"	80.049476	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H"	1.007276
"136738"	80.049476	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+2H"	2.014552
"579215"	119.570576	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+2H"	2.014552
"1046920"	40.528376	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2H"	2.014552
"215185"	53.702076	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+3H"	3.021828
"652559"	80.049476	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+3H"	3.021828
"1166314"	27.354676	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+3H"	3.021828
"426305"	176.118223	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+NH4"	18.033823
"788395"	255.160423	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+NH4"	18.033823
"1682539"	97.076023	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+NH4"	18.033823
"330819"	88.5627495	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+H+NH4"	19.041099
"728710"	128.0838495	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+H+NH4"	19.041099
"1479250"	49.0416495	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H+NH4"	19.041099
"401210"	181.073618	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+Na"	22.989218
"765486"	260.115818	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+Na"	22.989218
"1607025"	102.031418	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Na"	22.989218
"317428"	91.040447	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+H+Na"	23.996494
"708757"	130.561547	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+H+Na"	23.996494
"1466586"	51.519347	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H+Na"	23.996494
"1056188"	34.68199	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2H+Na"	25.00377
"1264792"	112.075686	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+CH3OH+H"	33.033486
"381181"	197.047558	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+K"	38.963158
"746552"	276.089758	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+K"	38.963158
"1551883"	118.005358	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+K"	38.963158
"310154"	99.027417	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+H+K"	39.970434
"704762"	138.548517	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+H+K"	39.970434
"1450928"	59.506317	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H+K"	39.970434
"240623"	200.118226	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+ACN+H"	42.033826
"1223173"	121.076026	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+ACN+H"	42.033826
"1200496"	61.041651	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+ACN+2H"	43.041102
"188912"	203.05556	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+2Na-H"	44.97116
"629279"	282.09776	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+2Na-H"	44.97116
"1132423"	124.01336	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2Na-H"	44.97116
"173523"	102.031418	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+2Na"	45.978436
"613327"	141.552518	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+2Na"	45.978436
"1119150"	62.510318	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2Na"	45.978436
"1405958"	42.009304	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H+2Na"	46.985712
"1434431"	126.054946	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H+HCOOH"	47.012746
"224858"	107.06444	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+3H2O+2H"	56.04448
"1515106"	140.10699	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+IsoProp+H"	61.06479
"415886"	110.018388	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+Na+K"	61.952376
"773602"	149.539488	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+Na+K"	61.952376
"1677586"	70.497288	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Na+K"	61.952376
"259734"	222.100168	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+ACN+Na"	64.015768
"1234629"	143.057968	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+ACN+Na"	64.015768
"1719144"	143.081493	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+NH4+HCOOH"	64.039293
"1181582"	49.336618	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+3Na"	68.967654
"1655482"	148.036888	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Na+HCOOH"	68.994688
"160157"	235.00344	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+2K-H"	76.91904
"607371"	314.04564	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+2K-H"	76.91904
"1097350"	155.96124	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2K-H"	76.91904
"149793"	118.005358	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"2M+2K"	77.926316
"587167"	157.526458	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"3M+2K"	77.926316
"1077146"	78.484258	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2K"	77.926316
"1101611"	157.975792	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2K+H"	78.933592
"1340184"	158.063407	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+DMSO+H"	79.021207
"1010902"	162.102576	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2ACN+H"	83.060376
"1529032"	163.096208	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+IsoProp+Na+H"	84.054008
"994386"	81.554926	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+2ACN+2H"	84.067652
"1594356"	164.010828	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+K+HCOOH"	84.968628
"1425486"	194.042338	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+H+CF3COOH"	115.000138
"1156868"	102.068201	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+3ACN+2H"	125.094202
"1706417"	211.068885	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+NH4+CF3COOH"	132.026685
"1639881"	216.02428	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+Na+CF3COOH"	136.98208
"1576630"	231.99822	"C00747"	"Pyridine;Azabenzene"	"C5H5N"	"79.0422"	"M+K+CF3COOH"	152.95602
"815747"	916.2102	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M"	0
"988189"	897.19181	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-H2O-H"	-19.01839
"74244"	609.799524	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M-3H"	-3.021828
"511616"	915.202924	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M-3H"	-3.021828
"885045"	304.396124	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-3H"	-3.021828
"2526"	915.202924	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M-2H"	-2.014552
"449743"	1373.308024	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M-2H"	-2.014552
"824263"	457.097824	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-2H"	-2.014552
"85350"	1831.413124	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M-H"	-1.007276
"524909"	2747.623324	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M-H"	-1.007276
"907086"	915.202924	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-H"	-1.007276
"60734"	1848.439671	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M-2H+NH4"	16.019271
"501389"	2764.649871	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M-2H+NH4"	16.019271
"879554"	932.229471	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-2H+NH4"	16.019271
"46686"	1853.395066	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M-2H+Na"	20.974666
"486894"	2769.605266	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M-2H+Na"	20.974666
"861900"	937.184866	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-2H+Na"	20.974666
"1631433"	937.184866	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Na-2H"	20.974666
"102494"	933.191263	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M-H+Cl"	33.962126
"544243"	1391.296363	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M-H+Cl"	33.962126
"936666"	475.086163	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-H+Cl"	33.962126
"278502"	1867.389802	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+Cl"	34.969402
"670922"	2783.600002	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+Cl"	34.969402
"1280046"	951.179602	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Cl"	34.969402
"29166"	1869.369006	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M-2H+K"	36.948606
"466538"	2785.579206	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M-2H+K"	36.948606
"841060"	953.158806	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-2H+K"	36.948606
"1566733"	953.158806	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+K-2H"	36.948606
"955713"	961.208394	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-H+HCOOH"	44.998194
"375020"	1877.418601	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+HCOOH-H"	44.998201
"358905"	1891.434251	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+Hac-H"	59.013851
"1504456"	975.224051	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Hac-H"	59.013851
"971271"	983.190351	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-H+NaCOOH"	66.980151
"122733"	951.179602	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+2Cl"	69.938804
"563383"	1409.284702	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+2Cl"	69.938804
"1033276"	493.074502	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2Cl"	69.938804
"1251032"	995.129085	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Br"	78.918885
"1313483"	997.185072	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Cl+HCOOH"	80.974872
"1332438"	1019.167029	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Cl+NaCOOH"	102.956829
"920945"	1029.195786	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M-H+CF3COOH"	112.985586
"1299842"	1065.172464	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Cl+CF3COOH"	148.962264
"1378004"	881.197524	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H-2H2O"	-35.012676
"1391492"	899.2075	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H-H2O"	-17.0027
"294823"	1833.427676	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+H"	1.007276
"688338"	2749.637876	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+H"	1.007276
"1361770"	917.217476	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H"	1.007276
"137942"	917.217476	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+2H"	2.014552
"579326"	1375.322576	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+2H"	2.014552
"1047762"	459.112376	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2H"	2.014552
"212016"	611.814076	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+3H"	3.021828
"652305"	917.217476	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+3H"	3.021828
"1163873"	306.410676	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+3H"	3.021828
"424312"	1850.454223	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+NH4"	18.033823
"787412"	2766.664423	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+NH4"	18.033823
"1681382"	934.244023	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+NH4"	18.033823
"331047"	925.7307495	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+H+NH4"	19.041099
"722986"	1383.8358495	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+H+NH4"	19.041099
"1479360"	467.6256495	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H+NH4"	19.041099
"395854"	1855.409618	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+Na"	22.989218
"757214"	2771.619818	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+Na"	22.989218
"1606043"	939.199418	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Na"	22.989218
"319361"	928.208447	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+H+Na"	23.996494
"710689"	1386.313547	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+H+Na"	23.996494
"1466695"	470.103347	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H+Na"	23.996494
"1057027"	313.73799	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2H+Na"	25.00377
"1260893"	949.243686	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+CH3OH+H"	33.033486
"387852"	1871.383558	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+K"	38.963158
"748848"	2787.593758	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+K"	38.963158
"1551992"	955.173358	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+K"	38.963158
"306984"	936.195417	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+H+K"	39.970434
"703780"	1394.300517	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+H+K"	39.970434
"1451037"	478.090317	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H+K"	39.970434
"240735"	1874.454226	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+ACN+H"	42.033826
"1214537"	958.244026	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+ACN+H"	42.033826
"1198420"	479.625651	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+ACN+2H"	43.041102
"188860"	1877.39156	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+2Na-H"	44.97116
"628940"	2793.60176	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+2Na-H"	44.97116
"1132047"	961.18136	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2Na-H"	44.97116
"173146"	939.199418	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+2Na"	45.978436
"612892"	1397.304518	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+2Na"	45.978436
"1121813"	481.094318	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2Na"	45.978436
"1406430"	321.065304	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H+2Na"	46.985712
"1437460"	963.222946	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H+HCOOH"	47.012746
"223510"	944.23244	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+3H2O+2H"	56.04448
"1514125"	977.27499	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+IsoProp+H"	61.06479
"421465"	947.186388	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+Na+K"	61.952376
"776992"	1405.291488	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+Na+K"	61.952376
"1677697"	489.081288	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Na+K"	61.952376
"262030"	1896.436168	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+ACN+Na"	64.015768
"1236927"	980.225968	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+ACN+Na"	64.015768
"1719253"	980.249493	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+NH4+HCOOH"	64.039293
"1184608"	328.392618	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+3Na"	68.967654
"1664339"	985.204888	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Na+HCOOH"	68.994688
"160268"	1909.33944	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+2K-H"	76.91904
"603108"	2825.54964	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+2K-H"	76.91904
"1095274"	993.12924	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2K-H"	76.91904
"149906"	955.173358	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"2M+2K"	77.926316
"589464"	1413.278458	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"3M+2K"	77.926316
"1077258"	497.068258	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2K"	77.926316
"1103181"	995.143792	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2K+H"	78.933592
"1339565"	995.231407	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+DMSO+H"	79.021207
"1011012"	999.270576	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2ACN+H"	83.060376
"1534609"	1000.264208	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+IsoProp+Na+H"	84.054008
"998870"	500.138926	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+2ACN+2H"	84.067652
"1594466"	1001.178828	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+K+HCOOH"	84.968628
"1424502"	1031.210338	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+H+CF3COOH"	115.000138
"1158071"	520.652201	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+3ACN+2H"	125.094202
"1707622"	1048.236885	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+NH4+CF3COOH"	132.026685
"1636710"	1053.19228	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+Na+CF3COOH"	136.98208
"1576740"	1069.16622	"C00748"	"Siroheme"	"C42H44FeN4O16"	"916.2102"	"M+K+CF3COOH"	152.95602
"815981"	202.2157	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M"	0
"987204"	183.19731	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-H2O-H"	-19.01839
"67795"	133.803190666667	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M-3H"	-3.021828
"516100"	201.208424	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M-3H"	-3.021828
"882967"	66.3979573333333	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-3H"	-3.021828
"3732"	201.208424	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M-2H"	-2.014552
"444385"	302.316274	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M-2H"	-2.014552
"818297"	100.100574	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-2H"	-2.014552
"87645"	403.424124	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M-H"	-1.007276
"521740"	605.639824	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M-H"	-1.007276
"901730"	201.208424	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-H"	-1.007276
"60117"	420.450671	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M-2H+NH4"	16.019271
"500771"	622.666371	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M-2H+NH4"	16.019271
"878086"	218.234971	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-2H+NH4"	16.019271
"44649"	425.406066	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M-2H+Na"	20.974666
"486401"	627.621766	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M-2H+Na"	20.974666
"862013"	223.190366	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-2H+Na"	20.974666
"1631544"	223.190366	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Na-2H"	20.974666
"102606"	219.196763	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M-H+Cl"	33.962126
"547272"	320.304613	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M-H+Cl"	33.962126
"936778"	118.088913	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-H+Cl"	33.962126
"277155"	439.400802	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+Cl"	34.969402
"671398"	641.616502	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+Cl"	34.969402
"1283072"	237.185102	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Cl"	34.969402
"24902"	441.380006	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M-2H+K"	36.948606
"466649"	643.595706	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M-2H+K"	36.948606
"840078"	239.164306	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-2H+K"	36.948606
"1564659"	239.164306	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+K-2H"	36.948606
"953634"	247.213894	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-H+HCOOH"	44.998194
"374038"	449.429601	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+HCOOH-H"	44.998201
"359015"	463.445251	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+Hac-H"	59.013851
"1504567"	261.229551	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Hac-H"	59.013851
"973087"	269.195851	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-H+NaCOOH"	66.980151
"123208"	237.185102	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+2Cl"	69.938804
"563493"	338.292952	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+2Cl"	69.938804
"1031928"	136.077252	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2Cl"	69.938804
"1248956"	281.134585	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Br"	78.918885
"1315781"	283.190572	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Cl+HCOOH"	80.974872
"1326717"	305.172529	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Cl+NaCOOH"	102.956829
"919961"	315.201286	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M-H+CF3COOH"	112.985586
"1299952"	351.177964	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Cl+CF3COOH"	148.962264
"1378843"	167.203024	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H-2H2O"	-35.012676
"1392331"	185.213	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H-H2O"	-17.0027
"295663"	405.438676	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+H"	1.007276
"688812"	607.654376	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+H"	1.007276
"1361880"	203.222976	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H"	1.007276
"136957"	203.222976	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+2H"	2.014552
"579435"	304.330826	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+2H"	2.014552
"1042038"	102.115126	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2H"	2.014552
"211034"	135.817742666667	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+3H"	3.021828
"648406"	203.222976	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+3H"	3.021828
"1163255"	68.4125093333333	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+3H"	3.021828
"424448"	422.465223	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+NH4"	18.033823
"787522"	624.680923	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+NH4"	18.033823
"1681372"	220.249523	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+NH4"	18.033823
"332130"	211.7362495	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+H+NH4"	19.041099
"724554"	312.8440995	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+H+NH4"	19.041099
"1479470"	110.6283995	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H+NH4"	19.041099
"394868"	427.420618	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+Na"	22.989218
"759511"	629.636318	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+Na"	22.989218
"1605057"	225.204918	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Na"	22.989218
"317648"	214.213947	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+H+Na"	23.996494
"708247"	315.321797	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+H+Na"	23.996494
"1466805"	113.106097	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H+Na"	23.996494
"1056772"	75.7398233333333	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2H+Na"	25.00377
"1261732"	235.249186	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+CH3OH+H"	33.033486
"386869"	443.394558	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+K"	38.963158
"748958"	645.610258	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+K"	38.963158
"1548822"	241.178858	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+K"	38.963158
"307094"	222.200917	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+H+K"	39.970434
"701703"	323.308767	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+H+K"	39.970434
"1450054"	121.093067	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H+K"	39.970434
"237565"	446.465226	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+ACN+H"	42.033826
"1211487"	244.249526	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+ACN+H"	42.033826
"1195371"	122.628401	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+ACN+2H"	43.041102
"189092"	449.40256	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+2Na-H"	44.97116
"629139"	651.61826	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+2Na-H"	44.97116
"1131349"	247.18686	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2Na-H"	44.97116
"173086"	225.204918	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+2Na"	45.978436
"614161"	326.312768	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+2Na"	45.978436
"1122652"	124.097068	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2Na"	45.978436
"1405449"	83.0671373333333	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H+2Na"	46.985712
"1443037"	249.228446	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H+HCOOH"	47.012746
"231641"	230.23794	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+3H2O+2H"	56.04448
"1514235"	263.28049	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+IsoProp+H"	61.06479
"421575"	233.191888	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+Na+K"	61.952376
"777103"	334.299738	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+Na+K"	61.952376
"1675621"	132.084038	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Na+K"	61.952376
"264331"	468.447168	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+ACN+Na"	64.015768
"1238131"	266.231468	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+ACN+Na"	64.015768
"1727017"	266.254993	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+NH4+HCOOH"	64.039293
"1186905"	90.3944513333333	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+3Na"	68.967654
"1658983"	271.210388	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Na+HCOOH"	68.994688
"166940"	481.35044	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+2K-H"	76.91904
"602125"	683.56614	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+2K-H"	76.91904
"1088823"	279.13474	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2K-H"	76.91904
"150016"	241.178858	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"2M+2K"	77.926316
"585201"	342.286708	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"3M+2K"	77.926316
"1075180"	140.071008	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2K"	77.926316
"1102927"	281.149292	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2K+H"	78.933592
"1341500"	281.236907	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+DMSO+H"	79.021207
"1013311"	285.276076	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2ACN+H"	83.060376
"1534720"	286.269708	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+IsoProp+Na+H"	84.054008
"1002991"	143.141676	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+2ACN+2H"	84.067652
"1595671"	287.184328	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+K+HCOOH"	84.968628
"1428622"	317.215838	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+H+CF3COOH"	115.000138
"1162555"	163.654951	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+3ACN+2H"	125.094202
"1711012"	334.242385	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+NH4+CF3COOH"	132.026685
"1640101"	339.19778	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+Na+CF3COOH"	136.98208
"1576850"	355.17172	"C00750"	"Spermine;NN-Bis(3-aminopropyl)-14-butanediamine"	"C10H26N4"	"202.2157"	"M+K+CF3COOH"	152.95602
"813780"	410.3913	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M"	0
"987314"	391.37291	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-H2O-H"	-19.01839
"75557"	272.586924	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M-3H"	-3.021828
"514023"	409.384024	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M-3H"	-3.021828
"883077"	135.789824	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-3H"	-3.021828
"3842"	409.384024	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M-2H"	-2.014552
"441700"	614.579674	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M-2H"	-2.014552
"822295"	204.188374	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-2H"	-2.014552
"88849"	819.775324	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M-H"	-1.007276
"519051"	1230.166624	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M-H"	-1.007276
"901840"	409.384024	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-H"	-1.007276
"60227"	836.801871	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M-2H+NH4"	16.019271
"497964"	1247.193171	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M-2H+NH4"	16.019271
"876495"	426.410571	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-2H+NH4"	16.019271
"43665"	841.757266	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M-2H+Na"	20.974666
"485175"	1252.148566	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M-2H+Na"	20.974666
"861031"	431.365966	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-2H+Na"	20.974666
"1631290"	431.365966	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Na-2H"	20.974666
"105996"	427.372363	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M-H+Cl"	33.962126
"547018"	632.568013	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M-H+Cl"	33.962126
"934701"	222.176713	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-H+Cl"	33.962126
"275443"	855.752002	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+Cl"	34.969402
"670416"	1266.143302	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+Cl"	34.969402
"1282454"	445.360702	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Cl"	34.969402
"26834"	857.731206	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M-2H+K"	36.948606
"465301"	1268.122506	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M-2H+K"	36.948606
"842374"	447.339906	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-2H+K"	36.948606
"1564769"	447.339906	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+K-2H"	36.948606
"955567"	455.389494	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-H+HCOOH"	44.998194
"374512"	865.780801	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+HCOOH-H"	44.998201
"354749"	879.796451	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+Hac-H"	59.013851
"1506499"	469.405151	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Hac-H"	59.013851
"972953"	477.371451	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-H+NaCOOH"	66.980151
"122952"	445.360702	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+2Cl"	69.938804
"563604"	650.556352	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+2Cl"	69.938804
"1032403"	240.165052	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2Cl"	69.938804
"1251253"	489.310185	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Br"	78.918885
"1313704"	491.366172	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Cl+HCOOH"	80.974872
"1330107"	513.348129	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Cl+NaCOOH"	102.956829
"918978"	523.376886	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M-H+CF3COOH"	112.985586
"1300062"	559.353564	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Cl+CF3COOH"	148.962264
"1376037"	375.378624	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H-2H2O"	-35.012676
"1392441"	393.3886	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H-H2O"	-17.0027
"295408"	821.789876	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+H"	1.007276
"688922"	1232.181176	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+H"	1.007276
"1363448"	411.398576	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H"	1.007276
"138161"	411.398576	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+2H"	2.014552
"579911"	616.594226	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+2H"	2.014552
"1047615"	206.202926	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2H"	2.014552
"214424"	274.601476	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+3H"	3.021828
"653983"	411.398576	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+3H"	3.021828
"1164818"	137.804376	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+3H"	3.021828
"424924"	838.816423	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+NH4"	18.033823
"787632"	1249.207723	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+NH4"	18.033823
"1682869"	428.425123	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+NH4"	18.033823
"330414"	419.9118495	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+H+NH4"	19.041099
"725755"	625.1074995	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+H+NH4"	19.041099
"1481038"	214.7161995	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H+NH4"	19.041099
"394979"	843.771818	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+Na"	22.989218
"759257"	1254.163118	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+Na"	22.989218
"1606992"	433.380518	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Na"	22.989218
"321769"	422.389547	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+H+Na"	23.996494
"709086"	627.585197	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+H+Na"	23.996494
"1466188"	217.193897	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H+Na"	23.996494
"1059070"	145.13169	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2H+Na"	25.00377
"1262937"	443.424786	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+CH3OH+H"	33.033486
"385886"	859.745758	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+K"	38.963158
"749069"	1270.137058	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+K"	38.963158
"1548932"	449.354458	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+K"	38.963158
"306111"	430.376517	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+H+K"	39.970434
"701812"	635.572167	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+H+K"	39.970434
"1452352"	225.180867	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H+K"	39.970434
"237674"	862.816426	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+ACN+H"	42.033826
"1211477"	452.425126	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+ACN+H"	42.033826
"1194996"	226.716201	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+ACN+2H"	43.041102
"188613"	865.75376	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+2Na-H"	44.97116
"628879"	1276.14506	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+2Na-H"	44.97116
"1131656"	455.36246	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2Na-H"	44.97116
"172884"	433.380518	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+2Na"	45.978436
"614271"	638.576168	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+2Na"	45.978436
"1122033"	228.184868	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2Na"	45.978436
"1406653"	152.459004	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H+2Na"	46.985712
"1441689"	457.404046	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H+HCOOH"	47.012746
"225191"	438.41354	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+3H2O+2H"	56.04448
"1516532"	471.45609	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+IsoProp+H"	61.06479
"422293"	441.367488	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+Na+K"	61.952376
"781587"	646.563138	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+Na+K"	61.952376
"1674639"	236.171838	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Na+K"	61.952376
"265411"	884.798368	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+ACN+Na"	64.015768
"1238973"	474.407068	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+ACN+Na"	64.015768
"1726034"	474.430593	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+NH4+HCOOH"	64.039293
"1191388"	159.786318	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+3Na"	68.967654
"1661280"	479.385988	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Na+HCOOH"	68.994688
"161582"	897.70164	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+2K-H"	76.91904
"604421"	1308.09294	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+2K-H"	76.91904
"1091120"	487.31034	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2K-H"	76.91904
"149032"	449.354458	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"2M+2K"	77.926316
"585311"	654.550108	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"3M+2K"	77.926316
"1074197"	244.158808	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2K"	77.926316
"1100848"	489.324892	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2K+H"	78.933592
"1341610"	489.412507	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+DMSO+H"	79.021207
"1011234"	493.451676	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2ACN+H"	83.060376
"1531548"	494.445308	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+IsoProp+Na+H"	84.054008
"997997"	247.229476	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+2ACN+2H"	84.067652
"1595781"	495.359928	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+K+HCOOH"	84.968628
"1428003"	525.391438	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+H+CF3COOH"	115.000138
"1161452"	267.742751	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+3ACN+2H"	125.094202
"1708936"	542.417985	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+NH4+CF3COOH"	132.026685
"1639117"	547.37338	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+Na+CF3COOH"	136.98208
"1576960"	563.34732	"C00751"	"Squalene;Spinacene;Supraene"	"C30H50"	"410.3913"	"M+K+CF3COOH"	152.95602
"813891"	183.9509	"C00753"	"Tungsten"	"W"	"183.9509"	"M"	0
"989825"	164.93251	"C00753"	"Tungsten"	"W"	"183.9509"	"M-H2O-H"	-19.01839
"78488"	121.626657333333	"C00753"	"Tungsten"	"W"	"183.9509"	"2M-3H"	-3.021828
"514135"	182.943624	"C00753"	"Tungsten"	"W"	"183.9509"	"3M-3H"	-3.021828
"889750"	60.3096906666667	"C00753"	"Tungsten"	"W"	"183.9509"	"M-3H"	-3.021828
"10511"	182.943624	"C00753"	"Tungsten"	"W"	"183.9509"	"2M-2H"	-2.014552
"450074"	274.919074	"C00753"	"Tungsten"	"W"	"183.9509"	"3M-2H"	-2.014552
"825687"	90.968174	"C00753"	"Tungsten"	"W"	"183.9509"	"M-2H"	-2.014552
"80211"	366.894524	"C00753"	"Tungsten"	"W"	"183.9509"	"2M-H"	-1.007276
"525239"	550.845424	"C00753"	"Tungsten"	"W"	"183.9509"	"3M-H"	-1.007276
"905229"	182.943624	"C00753"	"Tungsten"	"W"	"183.9509"	"M-H"	-1.007276
"59604"	383.921071	"C00753"	"Tungsten"	"W"	"183.9509"	"2M-2H+NH4"	16.019271
"499897"	567.871971	"C00753"	"Tungsten"	"W"	"183.9509"	"3M-2H+NH4"	16.019271
"878065"	199.970171	"C00753"	"Tungsten"	"W"	"183.9509"	"M-2H+NH4"	16.019271
"45235"	388.876466	"C00753"	"Tungsten"	"W"	"183.9509"	"2M-2H+Na"	20.974666
"486134"	572.827366	"C00753"	"Tungsten"	"W"	"183.9509"	"3M-2H+Na"	20.974666
"861502"	204.925566	"C00753"	"Tungsten"	"W"	"183.9509"	"M-2H+Na"	20.974666
"1629214"	204.925566	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Na-2H"	20.974666
"103920"	200.931963	"C00753"	"Tungsten"	"W"	"183.9509"	"2M-H+Cl"	33.962126
"538016"	292.907413	"C00753"	"Tungsten"	"W"	"183.9509"	"3M-H+Cl"	33.962126
"938090"	108.956513	"C00753"	"Tungsten"	"W"	"183.9509"	"M-H+Cl"	33.962126
"276283"	402.871202	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+Cl"	34.969402
"670891"	586.822102	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+Cl"	34.969402
"1280377"	218.920302	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Cl"	34.969402
"21840"	404.850406	"C00753"	"Tungsten"	"W"	"183.9509"	"2M-2H+K"	36.948606
"463587"	588.801306	"C00753"	"Tungsten"	"W"	"183.9509"	"3M-2H+K"	36.948606
"839202"	220.899506	"C00753"	"Tungsten"	"W"	"183.9509"	"M-2H+K"	36.948606
"1561598"	220.899506	"C00753"	"Tungsten"	"W"	"183.9509"	"M+K-2H"	36.948606
"954584"	228.949094	"C00753"	"Tungsten"	"W"	"183.9509"	"M-H+HCOOH"	44.998194
"373894"	412.900001	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+HCOOH-H"	44.998201
"358142"	426.915651	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+Hac-H"	59.013851
"1505881"	242.964751	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Hac-H"	59.013851
"972699"	250.931051	"C00753"	"Tungsten"	"W"	"183.9509"	"M-H+NaCOOH"	66.980151
"120870"	218.920302	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+2Cl"	69.938804
"562985"	310.895752	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+2Cl"	69.938804
"1035800"	126.944852	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2Cl"	69.938804
"1250273"	262.869785	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Br"	78.918885
"1316367"	264.925772	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Cl+HCOOH"	80.974872
"1330217"	286.907729	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Cl+NaCOOH"	102.956829
"922369"	296.936486	"C00753"	"Tungsten"	"W"	"183.9509"	"M-H+CF3COOH"	112.985586
"1300173"	332.913164	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Cl+CF3COOH"	148.962264
"1372868"	148.938224	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H-2H2O"	-35.012676
"1392551"	166.9482	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H-H2O"	-17.0027
"293330"	368.909076	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+H"	1.007276
"686844"	552.859976	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+H"	1.007276
"1365018"	184.958176	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H"	1.007276
"136812"	184.958176	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+2H"	2.014552
"577467"	276.933626	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+2H"	2.014552
"1042259"	92.982726	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2H"	2.014552
"207972"	123.641209333333	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+3H"	3.021828
"644861"	184.958176	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+3H"	3.021828
"1162772"	62.3242426666667	"C00753"	"Tungsten"	"W"	"183.9509"	"M+3H"	3.021828
"424678"	385.935623	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+NH4"	18.033823
"791022"	569.886523	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+NH4"	18.033823
"1687352"	201.984723	"C00753"	"Tungsten"	"W"	"183.9509"	"M+NH4"	18.033823
"331011"	193.4714495	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+H+NH4"	19.041099
"725504"	285.4468995	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+H+NH4"	19.041099
"1488440"	101.4959995	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H+NH4"	19.041099
"402746"	390.891018	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+Na"	22.989218
"757548"	574.841918	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+Na"	22.989218
"1607468"	206.940118	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Na"	22.989218
"318600"	195.949147	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+H+Na"	23.996494
"715395"	287.924597	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+H+Na"	23.996494
"1469213"	103.973697	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H+Na"	23.996494
"1063554"	69.6515566666667	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2H+Na"	25.00377
"1265233"	216.984386	"C00753"	"Tungsten"	"W"	"183.9509"	"M+CH3OH+H"	33.033486
"387089"	406.864958	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+K"	38.963158
"746989"	590.815858	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+K"	38.963158
"1551230"	222.914058	"C00753"	"Tungsten"	"W"	"183.9509"	"M+K"	38.963158
"309499"	203.936117	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+H+K"	39.970434
"696458"	295.911567	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+H+K"	39.970434
"1451369"	111.960667	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H+K"	39.970434
"239971"	409.935626	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+ACN+H"	42.033826
"1214137"	225.984726	"C00753"	"Tungsten"	"W"	"183.9509"	"M+ACN+H"	42.033826
"1194740"	113.496001	"C00753"	"Tungsten"	"W"	"183.9509"	"M+ACN+2H"	43.041102
"194902"	412.87296	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+2Na-H"	44.97116
"629480"	596.82386	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+2Na-H"	44.97116
"1132011"	228.92206	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2Na-H"	44.97116
"173020"	206.940118	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+2Na"	45.978436
"614262"	298.915568	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+2Na"	45.978436
"1125065"	114.964668	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2Na"	45.978436
"1409682"	76.9788706666667	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H+2Na"	46.985712
"1444473"	230.963646	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H+HCOOH"	47.012746
"229307"	211.97314	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+3H2O+2H"	56.04448
"1519556"	245.01569	"C00753"	"Tungsten"	"W"	"183.9509"	"M+IsoProp+H"	61.06479
"419243"	214.927088	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+Na+K"	61.952376
"780603"	306.902538	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+Na+K"	61.952376
"1675841"	122.951638	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Na+K"	61.952376
"264549"	431.917568	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+ACN+Na"	64.015768
"1240536"	247.966668	"C00753"	"Tungsten"	"W"	"183.9509"	"M+ACN+Na"	64.015768
"1726144"	247.990193	"C00753"	"Tungsten"	"W"	"183.9509"	"M+NH4+HCOOH"	64.039293
"1190404"	84.3061846666667	"C00753"	"Tungsten"	"W"	"183.9509"	"M+3Na"	68.967654
"1660297"	252.945588	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Na+HCOOH"	68.994688
"166065"	444.82084	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+2K-H"	76.91904
"601250"	628.77174	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+2K-H"	76.91904
"1091598"	260.86994	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2K-H"	76.91904
"149142"	222.914058	"C00753"	"Tungsten"	"W"	"183.9509"	"2M+2K"	77.926316
"589796"	314.889508	"C00753"	"Tungsten"	"W"	"183.9509"	"3M+2K"	77.926316
"1069206"	130.938608	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2K"	77.926316
"1100715"	262.884492	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2K+H"	78.933592
"1340627"	262.972107	"C00753"	"Tungsten"	"W"	"183.9509"	"M+DMSO+H"	79.021207
"1008064"	267.011276	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2ACN+H"	83.060376
"1527283"	268.004908	"C00753"	"Tungsten"	"W"	"183.9509"	"M+IsoProp+Na+H"	84.054008
"1001386"	134.009276	"C00753"	"Tungsten"	"W"	"183.9509"	"M+2ACN+2H"	84.067652
"1594795"	268.919528	"C00753"	"Tungsten"	"W"	"183.9509"	"M+K+HCOOH"	84.968628
"1420456"	298.951038	"C00753"	"Tungsten"	"W"	"183.9509"	"M+H+CF3COOH"	115.000138
"1162293"	154.522551	"C00753"	"Tungsten"	"W"	"183.9509"	"M+3ACN+2H"	125.094202
"1711599"	315.977585	"C00753"	"Tungsten"	"W"	"183.9509"	"M+NH4+CF3COOH"	132.026685
"1643607"	320.93298	"C00753"	"Tungsten"	"W"	"183.9509"	"M+Na+CF3COOH"	136.98208
"1577070"	336.90692	"C00753"	"Tungsten"	"W"	"183.9509"	"M+K+CF3COOH"	152.95602
"815095"	152.0473	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M"	0
"984254"	133.02891	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"71401"	100.357590666667	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"508777"	151.040024	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"891684"	49.6751573333333	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"11716"	151.040024	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"452735"	227.063674	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"825797"	75.016374	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"87978"	303.087324	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"527538"	455.134624	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"908257"	151.040024	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"60081"	320.113871	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"500979"	472.161171	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"878906"	168.066571	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"45345"	325.069266	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"484539"	477.116566	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"857965"	173.021966	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1630783"	173.021966	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"105127"	169.028363	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"546144"	245.052013	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"934921"	93.004713	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"278945"	339.064002	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"668085"	491.111302	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1280491"	187.016702	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"21954"	341.043206	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"465888"	493.090506	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"844784"	188.995906	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1562074"	188.995906	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"954696"	197.045494	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"373641"	349.092801	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"359346"	363.108451	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1506720"	211.061151	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"972441"	219.027451	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"121343"	187.016702	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"561636"	263.040352	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1028612"	110.993052	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1243825"	230.966185	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1308456"	233.022172	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1330325"	255.004129	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"916283"	265.032886	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1294816"	301.009564	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1375162"	117.034624	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1387193"	135.0446	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"285421"	305.101876	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"682579"	457.149176	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1356745"	153.054576	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"128541"	153.054576	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"569195"	229.078226	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1043464"	77.030926	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"211364"	102.372142666667	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"644271"	153.054576	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1162827"	51.6897093333333	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"424544"	322.128423	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"788945"	474.175723	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1682116"	170.081123	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"332460"	161.5678495	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"723428"	237.5914995	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1488550"	85.5441995	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"400670"	327.083818	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"756566"	479.131118	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1606484"	175.036518	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"317980"	164.045547	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"710037"	240.069197	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1468231"	88.021897	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1063664"	59.0170233333333	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1265343"	185.080786	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"386107"	343.057758	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"748194"	495.105058	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1549153"	191.010458	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"310702"	172.032517	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"697659"	248.056167	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1451479"	96.008867	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"240081"	346.128426	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1214246"	194.081126	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1197039"	97.544201	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"192825"	349.06576	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"630926"	501.11306	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1132353"	197.01846	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"173956"	175.036518	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"615829"	251.060168	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1128091"	99.012868	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1411615"	66.3443373333333	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1441909"	199.060046	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"233061"	180.06954	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1519666"	213.11209	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"421174"	183.023488	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"780712"	259.047138	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1679231"	106.999838	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"263563"	368.110368	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1236274"	216.063068	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1725158"	216.086593	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1192825"	73.6716513333333	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1660407"	221.041988	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"168362"	381.01364	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"604644"	533.06094	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1088063"	228.96634	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"145973"	191.010458	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"582618"	267.034108	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1069067"	114.986808	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1100573"	230.980892	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1340737"	231.068507	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1011456"	235.107676	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1535050"	236.101308	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1002957"	118.057476	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1600741"	237.015928	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1427858"	267.047438	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1154136"	138.570751	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1711587"	284.073985	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1645906"	289.02938	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1581556"	305.00332	"C00755"	"4-Hydroxy-3-methoxy-benzaldehyde;Vanillin;Vanillaldehyde;4-Hydroxy-3-methoxybenzaldehyde"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"808642"	130.1358	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M"	0
"982174"	111.11741	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-H2O-H"	-19.01839
"68231"	85.749924	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M-3H"	-3.021828
"511073"	129.128524	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M-3H"	-3.021828
"886689"	42.371324	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-3H"	-3.021828
"9639"	129.128524	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M-2H"	-2.014552
"448105"	194.196424	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M-2H"	-2.014552
"825907"	64.060624	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-2H"	-2.014552
"88088"	259.264324	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M-H"	-1.007276
"532631"	389.400124	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M-H"	-1.007276
"910314"	129.128524	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-H"	-1.007276
"61408"	276.290871	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M-2H+NH4"	16.019271
"501944"	406.426671	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M-2H+NH4"	16.019271
"879140"	146.155071	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-2H+NH4"	16.019271
"45819"	281.246266	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M-2H+Na"	20.974666
"484649"	411.382066	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M-2H+Na"	20.974666
"856982"	151.110466	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-2H+Na"	20.974666
"1628708"	151.110466	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Na-2H"	20.974666
"105237"	147.116863	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M-H+Cl"	33.962126
"543339"	212.184763	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M-H+Cl"	33.962126
"932844"	82.048963	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-H+Cl"	33.962126
"275774"	295.241002	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+Cl"	34.969402
"667102"	425.376802	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+Cl"	34.969402
"1281326"	165.105202	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Cl"	34.969402
"24246"	297.220206	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M-2H+K"	36.948606
"462713"	427.356006	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M-2H+K"	36.948606
"838330"	167.084406	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-2H+K"	36.948606
"1564006"	167.084406	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+K-2H"	36.948606
"950794"	175.133994	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-H+HCOOH"	44.998194
"375938"	305.269801	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+HCOOH-H"	44.998201
"357998"	319.285451	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+Hac-H"	59.013851
"1505737"	189.149651	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Hac-H"	59.013851
"972916"	197.115951	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-H+NaCOOH"	66.980151
"122912"	165.105202	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+2Cl"	69.938804
"562110"	230.173102	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+2Cl"	69.938804
"1028723"	100.037302	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2Cl"	69.938804
"1245028"	209.054685	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Br"	78.918885
"1305287"	211.110672	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Cl+HCOOH"	80.974872
"1329342"	233.092629	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Cl+NaCOOH"	102.956829
"919309"	243.121386	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M-H+CF3COOH"	112.985586
"1293833"	279.098064	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Cl+CF3COOH"	148.962264
"1373088"	95.123124	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H-2H2O"	-35.012676
"1384752"	113.1331	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H-H2O"	-17.0027
"286991"	261.278876	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+H"	1.007276
"685975"	391.414676	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+H"	1.007276
"1360137"	131.143076	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H"	1.007276
"131932"	131.143076	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+2H"	2.014552
"572585"	196.210976	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+2H"	2.014552
"1042481"	66.075176	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2H"	2.014552
"208195"	87.764476	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+3H"	3.021828
"644430"	131.143076	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+3H"	3.021828
"1163329"	44.385876	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+3H"	3.021828
"424452"	278.305423	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+NH4"	18.033823
"786097"	408.441223	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+NH4"	18.033823
"1682469"	148.169623	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+NH4"	18.033823
"330747"	139.6563495	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+H+NH4"	19.041099
"724631"	204.7242495	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+H+NH4"	19.041099
"1488660"	74.5884495	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H+NH4"	19.041099
"400780"	283.260818	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+Na"	22.989218
"759592"	413.396618	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+Na"	22.989218
"1608782"	153.125018	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Na"	22.989218
"318820"	142.134047	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+H+Na"	23.996494
"719989"	207.201947	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+H+Na"	23.996494
"1469434"	77.066147	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H+Na"	23.996494
"1061586"	51.71319	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2H+Na"	25.00377
"1265453"	163.169286	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+CH3OH+H"	33.033486
"387310"	299.234758	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+K"	38.963158
"748306"	429.370558	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+K"	38.963158
"1550356"	169.098958	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+K"	38.963158
"310813"	150.121017	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+H+K"	39.970434
"692299"	215.188917	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+H+K"	39.970434
"1447574"	85.053117	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H+K"	39.970434
"237998"	302.305426	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+ACN+H"	42.033826
"1210712"	172.169626	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+ACN+H"	42.033826
"1194424"	86.588451	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+ACN+2H"	43.041102
"190748"	305.24276	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+2Na-H"	44.97116
"628838"	435.37856	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+2Na-H"	44.97116
"1131520"	175.10696	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2Na-H"	44.97116
"174555"	153.125018	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+2Na"	45.978436
"615574"	218.192918	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+2Na"	45.978436
"1126743"	88.057118	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2Na"	45.978436
"1412819"	59.040504	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H+2Na"	46.985712
"1444571"	177.148546	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H+HCOOH"	47.012746
"233901"	158.15804	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+3H2O+2H"	56.04448
"1522329"	191.20059	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+IsoProp+H"	61.06479
"420921"	161.111988	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+Na+K"	61.952376
"782282"	226.179888	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+Na+K"	61.952376
"1677155"	96.044088	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Na+K"	61.952376
"265862"	324.287368	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+ACN+Na"	64.015768
"1237480"	194.151568	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+ACN+Na"	64.015768
"1727581"	194.175093	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+NH4+HCOOH"	64.039293
"1191718"	66.367818	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+3Na"	68.967654
"1658331"	199.130488	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Na+HCOOH"	68.994688
"166285"	337.19064	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+2K-H"	76.91904
"606940"	467.32644	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+2K-H"	76.91904
"1088537"	207.05484	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2K-H"	76.91904
"146084"	169.098958	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"2M+2K"	77.926316
"586738"	234.166858	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"3M+2K"	77.926316
"1069908"	104.031058	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2K"	77.926316
"1102275"	209.069392	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2K+H"	78.933592
"1343035"	209.157007	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+DMSO+H"	79.021207
"1011567"	213.196176	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2ACN+H"	83.060376
"1535160"	214.189808	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+IsoProp+Na+H"	84.054008
"999422"	107.101726	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+2ACN+2H"	84.067652
"1596111"	215.104428	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+K+HCOOH"	84.968628
"1426146"	245.135938	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+H+CF3COOH"	115.000138
"1155341"	127.615001	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+3ACN+2H"	125.094202
"1703798"	262.162485	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+NH4+CF3COOH"	132.026685
"1643827"	267.11788	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+Na+CF3COOH"	136.98208
"1581666"	283.09182	"C00756"	"1-Octanol"	"C8H18O"	"130.1358"	"M+K+CF3COOH"	152.95602
"808752"	336.1236	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M"	0
"982285"	317.10521	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-H2O-H"	-19.01839
"71621"	223.075124	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M-3H"	-3.021828
"517383"	335.116324	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M-3H"	-3.021828
"893362"	111.033924	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-3H"	-3.021828
"14853"	335.116324	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M-2H"	-2.014552
"452227"	503.178124	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M-2H"	-2.014552
"826018"	167.054524	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-2H"	-2.014552
"84916"	671.239924	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M-H"	-1.007276
"525570"	1007.363524	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M-H"	-1.007276
"908477"	335.116324	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-H"	-1.007276
"62840"	688.266471	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M-2H+NH4"	16.019271
"501202"	1024.390071	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M-2H+NH4"	16.019271
"879289"	352.142871	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-2H+NH4"	16.019271
"46622"	693.221866	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M-2H+Na"	20.974666
"485489"	1029.345466	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M-2H+Na"	20.974666
"862564"	357.098266	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-2H+Na"	20.974666
"1629912"	357.098266	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Na-2H"	20.974666
"107170"	353.104663	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M-H+Cl"	33.962126
"548916"	521.166463	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M-H+Cl"	33.962126
"937328"	185.042863	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-H+Cl"	33.962126
"282083"	707.216602	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+Cl"	34.969402
"671951"	1043.340202	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+Cl"	34.969402
"1279615"	371.093002	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Cl"	34.969402
"26545"	709.195806	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M-2H+K"	36.948606
"463919"	1045.319406	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M-2H+K"	36.948606
"840629"	373.072206	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-2H+K"	36.948606
"1560837"	373.072206	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+K-2H"	36.948606
"950905"	381.121794	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-H+HCOOH"	44.998194
"375683"	717.245401	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+HCOOH-H"	44.998201
"360295"	731.261051	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+Hac-H"	59.013851
"1507672"	395.137451	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Hac-H"	59.013851
"972296"	403.103751	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-H+NaCOOH"	66.980151
"121565"	371.093002	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+2Cl"	69.938804
"561127"	539.154802	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+2Cl"	69.938804
"1026646"	203.031202	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2Cl"	69.938804
"1245138"	415.042485	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Br"	78.918885
"1305034"	417.098472	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Cl+HCOOH"	80.974872
"1326172"	439.080429	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Cl+NaCOOH"	102.956829
"917233"	449.109186	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M-H+CF3COOH"	112.985586
"1292848"	485.085864	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Cl+CF3COOH"	148.962264
"1369917"	301.110924	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H-2H2O"	-35.012676
"1396159"	319.1209	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H-H2O"	-17.0027
"292566"	673.254476	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+H"	1.007276
"679524"	1009.378076	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+H"	1.007276
"1356964"	337.130876	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H"	1.007276
"127302"	337.130876	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+2H"	2.014552
"571603"	505.192676	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+2H"	2.014552
"1037484"	169.069076	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2H"	2.014552
"207576"	225.089676	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+3H"	3.021828
"644947"	337.130876	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+3H"	3.021828
"1163561"	113.048476	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+3H"	3.021828
"426347"	690.281023	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+NH4"	18.033823
"788071"	1026.404623	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+NH4"	18.033823
"1681605"	354.157423	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+NH4"	18.033823
"333044"	345.6441495	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+H+NH4"	19.041099
"725105"	513.7059495	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+H+NH4"	19.041099
"1490957"	177.5823495	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H+NH4"	19.041099
"399796"	695.236418	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+Na"	22.989218
"759702"	1031.360018	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+Na"	22.989218
"1606705"	359.112818	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Na"	22.989218
"321117"	348.121847	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+H+Na"	23.996494
"715725"	516.183647	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+H+Na"	23.996494
"1470636"	180.060047	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H+Na"	23.996494
"1060603"	120.37579	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2H+Na"	25.00377
"1269936"	369.157086	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+CH3OH+H"	33.033486
"387419"	711.210358	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+K"	38.963158
"748416"	1047.333958	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+K"	38.963158
"1549375"	375.086758	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+K"	38.963158
"310923"	356.108817	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+H+K"	39.970434
"692045"	524.170617	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+H+K"	39.970434
"1446227"	188.047017	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H+K"	39.970434
"237018"	714.281026	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+ACN+H"	42.033826
"1210576"	378.157426	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+ACN+H"	42.033826
"1194300"	189.582351	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+ACN+2H"	43.041102
"188558"	717.21836	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+2Na-H"	44.97116
"628594"	1053.34196	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+2Na-H"	44.97116
"1131412"	381.09476	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2Na-H"	44.97116
"174665"	359.112818	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+2Na"	45.978436
"614954"	527.174618	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+2Na"	45.978436
"1126852"	191.051018	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2Na"	45.978436
"1412929"	127.703104	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H+2Na"	46.985712
"1444681"	383.136346	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H+HCOOH"	47.012746
"233281"	364.14584	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+3H2O+2H"	56.04448
"1520616"	397.18839	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+IsoProp+H"	61.06479
"419208"	367.099788	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+Na+K"	61.952376
"782392"	535.161588	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+Na+K"	61.952376
"1677994"	199.037988	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Na+K"	61.952376
"265606"	736.262968	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+ACN+Na"	64.015768
"1237591"	400.139368	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+ACN+Na"	64.015768
"1727568"	400.162893	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+NH4+HCOOH"	64.039293
"1190735"	135.030418	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+3Na"	68.967654
"1656254"	405.118288	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Na+HCOOH"	68.994688
"166396"	749.16624	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+2K-H"	76.91904
"602676"	1085.28984	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+2K-H"	76.91904
"1089377"	413.04264	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2K-H"	76.91904
"151661"	375.086758	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"2M+2K"	77.926316
"587940"	543.148558	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"3M+2K"	77.926316
"1070263"	207.024958	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2K"	77.926316
"1102385"	415.057192	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2K+H"	78.933592
"1336576"	415.144807	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+DMSO+H"	79.021207
"1010582"	419.183976	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2ACN+H"	83.060376
"1529803"	420.177608	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+IsoProp+Na+H"	84.054008
"996252"	210.095626	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+2ACN+2H"	84.067652
"1590753"	421.092228	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+K+HCOOH"	84.968628
"1417507"	451.123738	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+H+CF3COOH"	115.000138
"1152171"	230.608901	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+3ACN+2H"	125.094202
"1705003"	468.150285	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+NH4+CF3COOH"	132.026685
"1641750"	473.10568	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+Na+CF3COOH"	136.98208
"1581776"	489.07962	"C00757"	"Berberine;Umbellatine"	"C20H18NO4"	"336.1236"	"M+K+CF3COOH"	152.95602
"808862"	202.0266	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M"	0
"976927"	183.00821	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H2O-H"	-19.01839
"70638"	133.677124	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-3H"	-3.021828
"517129"	201.019324	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-3H"	-3.021828
"893837"	66.334924	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-3H"	-3.021828
"14599"	201.019324	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H"	-2.014552
"455253"	302.032624	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H"	-2.014552
"826128"	100.006024	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H"	-2.014552
"85027"	403.045924	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-H"	-1.007276
"527868"	605.072524	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-H"	-1.007276
"908952"	201.019324	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H"	-1.007276
"61995"	420.072471	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H+NH4"	16.019271
"501312"	622.099071	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H+NH4"	16.019271
"878504"	218.045871	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H+NH4"	16.019271
"46164"	425.027866	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H+Na"	20.974666
"484142"	627.054466	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H+Na"	20.974666
"861946"	223.001266	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H+Na"	20.974666
"1629654"	223.001266	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na-2H"	20.974666
"106549"	219.007663	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-H+Cl"	33.962126
"545746"	320.020963	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-H+Cl"	33.962126
"931971"	117.994363	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+Cl"	33.962126
"281098"	439.022602	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Cl"	34.969402
"672424"	641.049202	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+Cl"	34.969402
"1279725"	236.996002	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl"	34.969402
"23375"	441.001806	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H+K"	36.948606
"459654"	643.028406	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H+K"	36.948606
"837459"	238.975206	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H+K"	36.948606
"1559853"	238.975206	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K-2H"	36.948606
"947735"	247.024794	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+HCOOH"	44.998194
"373242"	449.051401	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+HCOOH-H"	44.998201
"358219"	463.067051	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Hac-H"	59.013851
"1504864"	261.040451	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Hac-H"	59.013851
"972043"	269.006751	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+NaCOOH"	66.980151
"123865"	236.996002	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2Cl"	69.938804
"561602"	338.009302	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2Cl"	69.938804
"1027850"	135.982702	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2Cl"	69.938804
"1243789"	280.945485	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Br"	78.918885
"1306603"	283.001472	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl+HCOOH"	80.974872
"1327376"	304.983429	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl+NaCOOH"	102.956829
"919530"	315.012186	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+CF3COOH"	112.985586
"1294051"	350.988864	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl+CF3COOH"	148.962264
"1373307"	167.013924	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H-2H2O"	-35.012676
"1396269"	185.0239	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H-H2O"	-17.0027
"293769"	405.060476	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H"	1.007276
"685101"	607.087076	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H"	1.007276
"1360354"	203.033876	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H"	1.007276
"126683"	203.033876	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2H"	2.014552
"572806"	304.047176	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2H"	2.014552
"1041608"	102.020576	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2H"	2.014552
"208414"	135.691676	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+3H"	3.021828
"644274"	203.033876	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+3H"	3.021828
"1163182"	68.349476	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+3H"	3.021828
"426458"	422.087023	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+NH4"	18.033823
"786480"	624.113623	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+NH4"	18.033823
"1681837"	220.060423	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+NH4"	18.033823
"330845"	211.5471495	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H+NH4"	19.041099
"736154"	312.5604495	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H+NH4"	19.041099
"1489974"	110.5338495	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+NH4"	19.041099
"396626"	427.042418	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Na"	22.989218
"755437"	629.069018	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+Na"	22.989218
"1605722"	225.015818	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na"	22.989218
"321227"	214.024847	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H+Na"	23.996494
"714742"	315.038147	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H+Na"	23.996494
"1468560"	113.011547	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+Na"	23.996494
"1060714"	75.67679	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2H+Na"	25.00377
"1269319"	235.060086	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+CH3OH+H"	33.033486
"387529"	443.016358	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+K"	38.963158
"748527"	645.042958	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+K"	38.963158
"1551670"	240.989758	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K"	38.963158
"310669"	222.011817	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H+K"	39.970434
"691624"	323.025117	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H+K"	39.970434
"1446052"	120.998517	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+K"	39.970434
"235786"	446.087026	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+ACN+H"	42.033826
"1210323"	244.060426	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+ACN+H"	42.033826
"1195545"	122.533851	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+ACN+2H"	43.041102
"188735"	449.02436	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2Na-H"	44.97116
"628738"	651.05096	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2Na-H"	44.97116
"1131524"	246.99776	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2Na-H"	44.97116
"173221"	225.015818	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2Na"	45.978436
"614335"	326.029118	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2Na"	45.978436
"1126963"	124.002518	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2Na"	45.978436
"1413039"	83.004104	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+2Na"	46.985712
"1444062"	249.039346	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+HCOOH"	47.012746
"232298"	230.04884	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+3H2O+2H"	56.04448
"1518539"	263.09139	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+IsoProp+H"	61.06479
"420413"	233.002788	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Na+K"	61.952376
"782502"	334.016088	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+Na+K"	61.952376
"1679198"	131.989488	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na+K"	61.952376
"265717"	468.068968	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+ACN+Na"	64.015768
"1237700"	266.042368	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+ACN+Na"	64.015768
"1724399"	266.065893	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+NH4+HCOOH"	64.039293
"1190845"	90.331418	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+3Na"	68.967654
"1661831"	271.021288	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na+HCOOH"	68.994688
"167598"	480.97224	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2K-H"	76.91904
"604971"	682.99884	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2K-H"	76.91904
"1086570"	278.94564	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2K-H"	76.91904
"149583"	240.989758	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2K"	77.926316
"590236"	342.003058	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2K"	77.926316
"1069280"	139.976458	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2K"	77.926316
"1102495"	280.960192	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2K+H"	78.933592
"1335957"	281.047807	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+DMSO+H"	79.021207
"1010692"	285.086976	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2ACN+H"	83.060376
"1533193"	286.080608	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+IsoProp+Na+H"	84.054008
"994175"	143.047126	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2ACN+2H"	84.067652
"1591957"	286.995228	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K+HCOOH"	84.968628
"1417618"	317.026738	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+CF3COOH"	115.000138
"1153374"	163.560401	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+3ACN+2H"	125.094202
"1705113"	334.053285	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+NH4+CF3COOH"	132.026685
"1641860"	339.00868	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na+CF3COOH"	136.98208
"1581886"	354.98262	"C00758"	"Bergaptol;5-Hydroxypsoralen;5-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K+CF3COOH"	152.95602
"815903"	342.1315	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M"	0
"989073"	323.11311	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-H2O-H"	-19.01839
"75857"	227.080390666667	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M-3H"	-3.021828
"512498"	341.124224	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M-3H"	-3.021828
"892487"	113.036557333333	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-3H"	-3.021828
"14708"	341.124224	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M-2H"	-2.014552
"453904"	512.189974	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M-2H"	-2.014552
"831343"	170.058474	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-2H"	-2.014552
"93402"	683.255724	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M-H"	-1.007276
"533571"	1025.387224	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M-H"	-1.007276
"910408"	341.124224	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-H"	-1.007276
"62596"	700.282271	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M-2H+NH4"	16.019271
"502281"	1042.413771	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M-2H+NH4"	16.019271
"879469"	358.150771	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-2H+NH4"	16.019271
"46640"	705.237666	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M-2H+Na"	20.974666
"486324"	1047.369166	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M-2H+Na"	20.974666
"863880"	363.106166	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-2H+Na"	20.974666
"1633658"	363.106166	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Na-2H"	20.974666
"107752"	359.112563	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M-H+Cl"	33.962126
"549266"	530.178313	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M-H+Cl"	33.962126
"942046"	188.046813	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-H+Cl"	33.962126
"282060"	719.232402	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+Cl"	34.969402
"672898"	1061.363902	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+Cl"	34.969402
"1279836"	377.100902	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Cl"	34.969402
"22392"	721.211606	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M-2H+K"	36.948606
"460859"	1063.343106	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M-2H+K"	36.948606
"836476"	379.080106	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-2H+K"	36.948606
"1565430"	379.080106	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+K-2H"	36.948606
"946749"	387.129694	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-H+HCOOH"	44.998194
"370431"	729.261201	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+HCOOH-H"	44.998201
"352491"	743.276851	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+Hac-H"	59.013851
"1500958"	401.145351	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Hac-H"	59.013851
"965222"	409.111651	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-H+NaCOOH"	66.980151
"123250"	377.100902	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+2Cl"	69.938804
"558073"	548.166652	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+2Cl"	69.938804
"1034892"	206.035152	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2Cl"	69.938804
"1245356"	421.050385	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Br"	78.918885
"1312175"	423.106372	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Cl+HCOOH"	80.974872
"1326392"	445.088329	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Cl+NaCOOH"	102.956829
"920732"	455.117086	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M-H+CF3COOH"	112.985586
"1301815"	491.093764	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Cl+CF3COOH"	148.962264
"1374510"	307.118824	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H-2H2O"	-35.012676
"1397840"	325.1288	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H-H2O"	-17.0027
"291693"	685.270276	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+H"	1.007276
"681926"	1027.401776	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+H"	1.007276
"1357185"	343.138776	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H"	1.007276
"128980"	343.138776	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+2H"	2.014552
"572915"	514.204526	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+2H"	2.014552
"1041717"	172.073026	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2H"	2.014552
"210710"	229.094942666667	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+3H"	3.021828
"648447"	343.138776	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+3H"	3.021828
"1165846"	115.051109333333	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+3H"	3.021828
"426930"	702.296823	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+NH4"	18.033823
"791570"	1044.428323	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+NH4"	18.033823
"1694473"	360.165323	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+NH4"	18.033823
"337281"	351.6520495	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+H+NH4"	19.041099
"730803"	522.7177995	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+H+NH4"	19.041099
"1490821"	180.5862995	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H+NH4"	19.041099
"401117"	707.252218	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+Na"	22.989218
"767950"	1049.383718	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+Na"	22.989218
"1616046"	365.120718	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Na"	22.989218
"319154"	354.129747	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+H+Na"	23.996494
"714856"	525.195497	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+H+Na"	23.996494
"1470862"	183.063997	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H+Na"	23.996494
"1063013"	122.378423333333	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2H+Na"	25.00377
"1269793"	375.164986	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+CH3OH+H"	33.033486
"383268"	723.226158	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+K"	38.963158
"746449"	1065.357658	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+K"	38.963158
"1540971"	381.094658	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+K"	38.963158
"302402"	362.116717	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+H+K"	39.970434
"695186"	533.182467	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+H+K"	39.970434
"1446329"	191.050967	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H+K"	39.970434
"238335"	726.296826	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+ACN+H"	42.033826
"1210796"	384.165326	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+ACN+H"	42.033826
"1194674"	192.586301	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+ACN+2H"	43.041102
"189006"	729.23416	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+2Na-H"	44.97116
"629051"	1071.36566	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+2Na-H"	44.97116
"1131958"	387.10266	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2Na-H"	44.97116
"181820"	365.120718	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+2Na"	45.978436
"627584"	536.186468	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+2Na"	45.978436
"1129262"	194.054968	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2Na"	45.978436
"1413400"	129.705737333333	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H+2Na"	46.985712
"1439434"	389.144246	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H+HCOOH"	47.012746
"230951"	370.15374	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+3H2O+2H"	56.04448
"1522658"	403.19629	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+IsoProp+H"	61.06479
"422708"	373.107688	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+Na+K"	61.952376
"782613"	544.173438	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+Na+K"	61.952376
"1677488"	202.041938	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Na+K"	61.952376
"264736"	748.278768	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+ACN+Na"	64.015768
"1237805"	406.147268	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+ACN+Na"	64.015768
"1724508"	406.170793	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+NH4+HCOOH"	64.039293
"1190958"	137.033051333333	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+3Na"	68.967654
"1661943"	411.126188	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Na+HCOOH"	68.994688
"163334"	761.18204	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+2K-H"	76.91904
"599978"	1103.31354	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+2K-H"	76.91904
"1086315"	419.05054	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2K-H"	76.91904
"142762"	381.094658	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"2M+2K"	77.926316
"583790"	552.160408	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"3M+2K"	77.926316
"1070490"	210.028908	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2K"	77.926316
"1100536"	421.065092	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2K+H"	78.933592
"1337897"	421.152707	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+DMSO+H"	79.021207
"1007520"	425.191876	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2ACN+H"	83.060376
"1526010"	426.185508	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+IsoProp+Na+H"	84.054008
"994281"	213.099576	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+2ACN+2H"	84.067652
"1588055"	427.100128	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+K+HCOOH"	84.968628
"1419911"	457.131638	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+H+CF3COOH"	115.000138
"1154584"	233.612851	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+3ACN+2H"	125.094202
"1699761"	474.158185	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+NH4+CF3COOH"	132.026685
"1637597"	479.11358	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+Na+CF3COOH"	136.98208
"1578718"	495.08752	"C00761"	"Coniferin"	"C16H22O8"	"342.1315"	"M+K+CF3COOH"	152.95602
"815409"	360.1937	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M"	0
"988085"	341.17531	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-H2O-H"	-19.01839
"76331"	239.121857333333	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M-3H"	-3.021828
"511515"	359.186424	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M-3H"	-3.021828
"892597"	119.057290666667	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-3H"	-3.021828
"15071"	359.186424	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M-2H"	-2.014552
"454835"	539.283274	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M-2H"	-2.014552
"832109"	179.089574	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-2H"	-2.014552
"93388"	719.380124	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M-H"	-1.007276
"533802"	1079.573824	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M-H"	-1.007276
"911294"	359.186424	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-H"	-1.007276
"62629"	736.406671	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M-2H+NH4"	16.019271
"502270"	1096.600371	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M-2H+NH4"	16.019271
"879214"	376.212971	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-2H+NH4"	16.019271
"46022"	741.362066	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M-2H+Na"	20.974666
"486311"	1101.555766	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M-2H+Na"	20.974666
"863020"	381.168366	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-2H+Na"	20.974666
"1632674"	381.168366	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Na-2H"	20.974666
"108962"	377.174763	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M-H+Cl"	33.962126
"548646"	557.271613	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M-H+Cl"	33.962126
"941676"	197.077913	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-H+Cl"	33.962126
"281568"	755.356802	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+Cl"	34.969402
"674104"	1115.550502	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+Cl"	34.969402
"1286142"	395.163102	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Cl"	34.969402
"24689"	757.336006	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M-2H+K"	36.948606
"465344"	1117.529706	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M-2H+K"	36.948606
"836584"	397.142306	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-2H+K"	36.948606
"1567727"	397.142306	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+K-2H"	36.948606
"946862"	405.191894	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-H+HCOOH"	44.998194
"368355"	765.385601	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+HCOOH-H"	44.998201
"354423"	779.401251	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+Hac-H"	59.013851
"1500339"	419.207551	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Hac-H"	59.013851
"963874"	427.173851	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-H+NaCOOH"	66.980151
"123724"	395.163102	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+2Cl"	69.938804
"558183"	575.259952	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+2Cl"	69.938804
"1036095"	215.066252	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2Cl"	69.938804
"1247654"	439.112585	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Br"	78.918885
"1314472"	441.168572	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Cl+HCOOH"	80.974872
"1329783"	463.150529	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Cl+NaCOOH"	102.956829
"926517"	473.179286	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M-H+CF3COOH"	112.985586
"1301196"	509.155964	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Cl+CF3COOH"	148.962264
"1380087"	325.181024	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H-2H2O"	-35.012676
"1397463"	343.191	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H-H2O"	-17.0027
"290710"	721.394676	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+H"	1.007276
"682040"	1081.588376	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+H"	1.007276
"1358389"	361.200976	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H"	1.007276
"130185"	361.200976	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+2H"	2.014552
"575213"	541.297826	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+2H"	2.014552
"1045108"	181.104126	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2H"	2.014552
"213009"	241.136409333333	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+3H"	3.021828
"652568"	361.200976	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+3H"	3.021828
"1165956"	121.071842666667	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+3H"	3.021828
"427405"	738.421223	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+NH4"	18.033823
"788397"	1098.614923	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+NH4"	18.033823
"1692397"	378.227523	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+NH4"	18.033823
"336298"	369.7142495	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+H+NH4"	19.041099
"730913"	549.8110995	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+H+NH4"	19.041099
"1490567"	189.6173995	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H+NH4"	19.041099
"396852"	743.376618	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+Na"	22.989218
"768304"	1103.570318	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+Na"	22.989218
"1615425"	383.182918	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Na"	22.989218
"317077"	372.191947	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+H+Na"	23.996494
"714966"	552.288797	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+H+Na"	23.996494
"1468786"	192.095097	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H+Na"	23.996494
"1059843"	128.399156666667	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2H+Na"	25.00377
"1265895"	393.227186	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+CH3OH+H"	33.033486
"384472"	759.350558	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+K"	38.963158
"743279"	1119.544258	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+K"	38.963158
"1543149"	399.156858	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+K"	38.963158
"305791"	380.178917	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+H+K"	39.970434
"699304"	560.275767	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+H+K"	39.970434
"1447656"	200.082067	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H+K"	39.970434
"238443"	762.421226	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+ACN+H"	42.033826
"1210011"	402.227526	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+ACN+H"	42.033826
"1194256"	201.617401	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+ACN+2H"	43.041102
"188612"	765.35856	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+2Na-H"	44.97116
"629043"	1125.55226	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+2Na-H"	44.97116
"1132432"	405.16486	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2Na-H"	44.97116
"181930"	383.182918	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+2Na"	45.978436
"626966"	563.279768	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+2Na"	45.978436
"1128278"	203.086068	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2Na"	45.978436
"1413675"	135.726470666667	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H+2Na"	46.985712
"1439544"	407.206446	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H+HCOOH"	47.012746
"233248"	388.21594	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+3H2O+2H"	56.04448
"1522771"	421.25849	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+IsoProp+H"	61.06479
"422821"	391.169888	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+Na+K"	61.952376
"783455"	571.266738	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+Na+K"	61.952376
"1678327"	211.073038	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Na+K"	61.952376
"264482"	784.403168	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+ACN+Na"	64.015768
"1237551"	424.209468	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+ACN+Na"	64.015768
"1724986"	424.232993	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+NH4+HCOOH"	64.039293
"1189247"	143.053784666667	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+3Na"	68.967654
"1661689"	429.188388	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Na+HCOOH"	68.994688
"168911"	797.30644	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+2K-H"	76.91904
"600819"	1157.50014	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+2K-H"	76.91904
"1088613"	437.11274	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2K-H"	76.91904
"142876"	399.156858	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"2M+2K"	77.926316
"583900"	579.253708	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"3M+2K"	77.926316
"1070600"	219.060008	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2K"	77.926316
"1101622"	439.127292	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2K+H"	78.933592
"1340194"	439.214907	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+DMSO+H"	79.021207
"1008724"	443.254076	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2ACN+H"	83.060376
"1527943"	444.247708	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+IsoProp+Na+H"	84.054008
"996579"	222.130676	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+2ACN+2H"	84.067652
"1591083"	445.162328	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+K+HCOOH"	84.968628
"1416744"	475.193838	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+H+CF3COOH"	115.000138
"1155785"	242.643951	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+3ACN+2H"	125.094202
"1706433"	492.220385	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+NH4+CF3COOH"	132.026685
"1639896"	497.17578	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+Na+CF3COOH"	136.98208
"1578828"	513.14972	"C00762"	"Cortisone;17alpha21-Dihydroxy-4-pregnene-31120-trione;Kendalls compound E;Reichsteins substance Fa"	"C21H28O5"	"360.1937"	"M+K+CF3COOH"	152.95602
"812475"	115.0633	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M"	0
"982727"	96.04491	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-H2O-H"	-19.01839
"68783"	75.7015906666667	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M-3H"	-3.021828
"509437"	114.056024	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M-3H"	-3.021828
"887238"	37.3471573333333	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-3H"	-3.021828
"8000"	114.056024	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M-2H"	-2.014552
"452665"	171.587674	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M-2H"	-2.014552
"829739"	56.524374	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-2H"	-2.014552
"91917"	229.119324	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M-H"	-1.007276
"534036"	344.182624	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M-H"	-1.007276
"909891"	114.056024	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-H"	-1.007276
"62732"	246.145871	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M-2H+NH4"	16.019271
"502533"	361.209171	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M-2H+NH4"	16.019271
"878102"	131.082571	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-2H+NH4"	16.019271
"46980"	251.101266	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M-2H+Na"	20.974666
"485198"	366.164566	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M-2H+Na"	20.974666
"863367"	136.037966	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-2H+Na"	20.974666
"1634081"	136.037966	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Na-2H"	20.974666
"109683"	132.044363	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M-H+Cl"	33.962126
"549318"	189.576013	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M-H+Cl"	33.962126
"939952"	74.512713	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-H+Cl"	33.962126
"282161"	265.096002	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+Cl"	34.969402
"673118"	380.159302	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+Cl"	34.969402
"1285522"	150.032702	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Cl"	34.969402
"25891"	267.075206	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M-2H+K"	36.948606
"464356"	382.138506	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M-2H+K"	36.948606
"841066"	152.011906	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-2H+K"	36.948606
"1564554"	152.011906	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+K-2H"	36.948606
"949157"	160.061494	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-H+HCOOH"	44.998194
"371743"	275.124801	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+HCOOH-H"	44.998201
"353440"	289.140451	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+Hac-H"	59.013851
"1496806"	174.077151	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Hac-H"	59.013851
"964344"	182.043451	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-H+NaCOOH"	66.980151
"115448"	150.032702	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+2Cl"	69.938804
"561574"	207.564352	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+2Cl"	69.938804
"1035112"	92.501052	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2Cl"	69.938804
"1251042"	193.982185	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Br"	78.918885
"1309118"	196.038172	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Cl+HCOOH"	80.974872
"1323332"	218.020129	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Cl+NaCOOH"	102.956829
"918765"	228.048886	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M-H+CF3COOH"	112.985586
"1293288"	264.025564	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Cl+CF3COOH"	148.962264
"1373635"	80.050624	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H-2H2O"	-35.012676
"1391132"	98.0606	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H-H2O"	-17.0027
"285354"	231.133876	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+H"	1.007276
"678867"	346.197176	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+H"	1.007276
"1358500"	116.070576	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H"	1.007276
"128106"	116.070576	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+2H"	2.014552
"566573"	173.602226	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+2H"	2.014552
"1046309"	58.538926	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2H"	2.014552
"209835"	77.7161426666667	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+3H"	3.021828
"650490"	116.070576	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+3H"	3.021828
"1168614"	39.3617093333333	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+3H"	3.021828
"428605"	248.160423	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+NH4"	18.033823
"789237"	363.223723	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+NH4"	18.033823
"1694696"	133.097123	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+NH4"	18.033823
"341880"	124.5838495	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+H+NH4"	19.041099
"731023"	182.1154995	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+H+NH4"	19.041099
"1488125"	67.0521995	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H+NH4"	19.041099
"398055"	253.115818	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+Na"	22.989218
"769629"	368.179118	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+Na"	22.989218
"1616993"	138.052518	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Na"	22.989218
"319373"	127.061547	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+H+Na"	23.996494
"715076"	184.593197	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+H+Na"	23.996494
"1468897"	69.529897	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H+Na"	23.996494
"1058859"	46.6890233333333	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2H+Na"	25.00377
"1266002"	148.096786	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+CH3OH+H"	33.033486
"380208"	269.089758	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+K"	38.963158
"744482"	384.153058	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+K"	38.963158
"1545447"	154.026458	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+K"	38.963158
"305902"	135.048517	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+H+K"	39.970434
"697229"	192.580167	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+H+K"	39.970434
"1447766"	77.516867	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H+K"	39.970434
"238190"	272.160426	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+ACN+H"	42.033826
"1210021"	157.097126	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+ACN+H"	42.033826
"1194340"	79.052201	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+ACN+2H"	43.041102
"188668"	275.09776	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+2Na-H"	44.97116
"628699"	390.16106	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+2Na-H"	44.97116
"1132421"	160.03446	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2Na-H"	44.97116
"185321"	138.052518	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+2Na"	45.978436
"627196"	195.584168	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+2Na"	45.978436
"1130580"	80.520868	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2Na"	45.978436
"1413012"	54.0163373333333	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H+2Na"	46.985712
"1444030"	162.076046	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H+HCOOH"	47.012746
"234819"	143.08554	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+3H2O+2H"	56.04448
"1522519"	176.12809	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+IsoProp+H"	61.06479
"421843"	146.039488	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+Na+K"	61.952376
"784779"	203.571138	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+Na+K"	61.952376
"1677706"	88.507838	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Na+K"	61.952376
"265686"	294.142368	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+ACN+Na"	64.015768
"1238762"	179.079068	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+ACN+Na"	64.015768
"1725821"	179.102593	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+NH4+HCOOH"	64.039293
"1191175"	61.3436513333333	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+3Na"	68.967654
"1662527"	184.057988	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Na+HCOOH"	68.994688
"166834"	307.04564	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+2K-H"	76.91904
"602385"	422.10894	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+2K-H"	76.91904
"1089087"	191.98234	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2K-H"	76.91904
"147728"	154.026458	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"2M+2K"	77.926316
"587291"	211.558108	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"3M+2K"	77.926316
"1080555"	96.494808	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2K"	77.926316
"1105015"	193.996892	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2K+H"	78.933592
"1338120"	194.084507	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+DMSO+H"	79.021207
"1007744"	198.123676	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2ACN+H"	83.060376
"1536802"	199.117308	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+IsoProp+Na+H"	84.054008
"1001064"	99.565476	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+2ACN+2H"	84.067652
"1597755"	200.031928	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+K+HCOOH"	84.968628
"1425602"	230.063438	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+H+CF3COOH"	115.000138
"1154802"	120.078751	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+3ACN+2H"	125.094202
"1699982"	247.089985	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+NH4+CF3COOH"	132.026685
"1641100"	252.04538	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+Na+CF3COOH"	136.98208
"1578938"	268.01932	"C00763"	"D-Proline"	"C5H9NO2"	"115.0633"	"M+K+CF3COOH"	152.95602
"812585"	180.0634	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M"	0
"979557"	161.04501	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"68893"	119.034990666667	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"506267"	179.056124	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"887348"	59.0138573333333	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"2643"	179.056124	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"454232"	269.087824	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"830213"	89.024424	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"93610"	359.119524	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"533903"	539.182924	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"911015"	179.056124	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"62676"	376.146071	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"502599"	556.209471	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"878091"	196.082671	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"47011"	381.101466	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"483121"	561.164866	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"862626"	201.038066	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1633994"	201.038066	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"108079"	197.044463	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"547642"	287.076163	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"936780"	107.012763	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"281781"	395.096202	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"673228"	575.159602	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1281257"	215.032802	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"22720"	397.075406	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"460092"	577.138806	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"837895"	217.012006	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1562478"	217.012006	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"949266"	225.061594	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"370760"	405.125001	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"352455"	419.140651	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1500195"	239.077251	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"963362"	247.043551	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"111910"	215.032802	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"563750"	305.064502	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1034857"	125.001102	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1251153"	258.982285	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1313602"	261.038272	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1325630"	283.020229	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919969"	293.048986	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1293398"	329.025664	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1371558"	145.050724	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1391242"	163.0607	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"285461"	361.134076	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"679341"	541.197476	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1356422"	181.070676	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"128215"	181.070676	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"566319"	271.102376	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1045326"	91.038976	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"208852"	121.049542666667	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"654974"	181.070676	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1168724"	61.0284093333333	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"428715"	378.160623	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"789712"	558.224023	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1681377"	198.097223	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"341626"	189.5839495	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"731133"	279.6156495	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1488235"	99.5522495	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"400352"	383.116018	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"769616"	563.179418	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1616739"	203.052618	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"320576"	192.061647	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"715186"	282.093347	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1472287"	102.029947	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1062250"	68.3557233333333	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1263925"	213.096886	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"382505"	399.089958	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"744591"	579.153358	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1548837"	219.026558	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"310386"	200.048617	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"700618"	290.080317	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1448606"	110.016917	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"239759"	402.160626	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1209903"	222.097226	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1199265"	111.552251	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"188567"	405.09796	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"628651"	585.16136	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1132046"	225.03456	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"185431"	203.052618	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"628039"	293.084318	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1130200"	113.020918	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1413245"	75.6830373333333	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1445480"	227.076146	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"234442"	208.08564	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1521895"	241.12819	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"423770"	211.039588	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"783671"	301.071288	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1676721"	121.007888	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"264334"	424.142568	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1239230"	244.079168	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1725929"	244.102693	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1191284"	83.0103513333333	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1662273"	249.058088	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"165851"	437.04584	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"604320"	617.10924	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1089926"	256.98244	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"144558"	219.026558	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"587401"	309.058258	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1080664"	128.994858	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1104032"	258.996992	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1337258"	259.084607	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1007975"	263.123776	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1536912"	264.117408	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1000081"	132.065526	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1597865"	265.032028	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1425712"	295.063538	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1156005"	152.578801	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1697905"	312.090085	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1641210"	317.04548	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1579048"	333.01942	"C00764"	"D-Sorbose;D-xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"814883"	1228.5724	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M"	0
"982947"	1209.55401	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-H2O-H"	-19.01839
"69004"	818.040990666667	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M-3H"	-3.021828
"506377"	1227.565124	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M-3H"	-3.021828
"881990"	408.516857333333	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-3H"	-3.021828
"8221"	1227.565124	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M-2H"	-2.014552
"455239"	1841.851324	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M-2H"	-2.014552
"832189"	613.278924	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-2H"	-2.014552
"94052"	2456.137524	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M-H"	-1.007276
"533167"	3684.709924	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M-H"	-1.007276
"911304"	1227.565124	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-H"	-1.007276
"61576"	2473.164071	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M-2H+NH4"	16.019271
"501983"	3701.736471	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M-2H+NH4"	16.019271
"878080"	1244.591671	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-2H+NH4"	16.019271
"46477"	2478.119466	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M-2H+Na"	20.974666
"486720"	3706.691866	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M-2H+Na"	20.974666
"858847"	1249.547066	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-2H+Na"	20.974666
"1632759"	1249.547066	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Na-2H"	20.974666
"107096"	1245.553463	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M-H+Cl"	33.962126
"549418"	1859.839663	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M-H+Cl"	33.962126
"939079"	631.267263	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-H+Cl"	33.962126
"281892"	2492.114202	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+Cl"	34.969402
"674433"	3720.686602	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+Cl"	34.969402
"1278087"	1263.541802	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Cl"	34.969402
"22830"	2494.093406	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M-2H+K"	36.948606
"462390"	3722.665806	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M-2H+K"	36.948606
"835817"	1265.521006	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-2H+K"	36.948606
"1562588"	1265.521006	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+K-2H"	36.948606
"951563"	1273.570594	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-H+HCOOH"	44.998194
"370870"	2502.143001	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+HCOOH-H"	44.998201
"351469"	2516.158651	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+Hac-H"	59.013851
"1499211"	1287.586251	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Hac-H"	59.013851
"965659"	1295.552551	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-H+NaCOOH"	66.980151
"111657"	1263.541802	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+2Cl"	69.938804
"565077"	1877.828002	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+2Cl"	69.938804
"1032782"	649.255602	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2Cl"	69.938804
"1254182"	1307.491285	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Br"	78.918885
"1316265"	1309.547272	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Cl+HCOOH"	80.974872
"1327929"	1331.529229	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Cl+NaCOOH"	102.956829
"917893"	1341.557986	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M-H+CF3COOH"	112.985586
"1292780"	1377.534664	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Cl+CF3COOH"	148.962264
"1373855"	1193.559724	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H-2H2O"	-35.012676
"1386978"	1211.5697	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H-H2O"	-17.0027
"288852"	2458.152076	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+H"	1.007276
"681276"	3686.724476	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+H"	1.007276
"1357626"	1229.579676	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H"	1.007276
"128325"	1229.579676	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+2H"	2.014552
"571533"	1843.865876	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+2H"	2.014552
"1042156"	615.293476	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2H"	2.014552
"210057"	820.055542666667	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+3H"	3.021828
"652897"	1229.579676	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+3H"	3.021828
"1165555"	410.531409333333	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+3H"	3.021828
"433201"	2475.178623	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+NH4"	18.033823
"788728"	3703.751023	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+NH4"	18.033823
"1681771"	1246.606223	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+NH4"	18.033823
"342100"	1238.0929495	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+H+NH4"	19.041099
"734523"	1852.3791495	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+H+NH4"	19.041099
"1488345"	623.8067495	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H+NH4"	19.041099
"399368"	2480.134018	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+Na"	22.989218
"768388"	3708.706418	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+Na"	22.989218
"1612839"	1251.561618	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Na"	22.989218
"318500"	1240.570647	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+H+Na"	23.996494
"714202"	1854.856847	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+H+Na"	23.996494
"1469116"	626.284447	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H+Na"	23.996494
"1063453"	417.858723333333	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2H+Na"	25.00377
"1262942"	1261.605886	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+CH3OH+H"	33.033486
"381521"	2496.107958	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+K"	38.963158
"743609"	3724.680358	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+K"	38.963158
"1550041"	1267.535558	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+K"	38.963158
"311955"	1248.557617	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+H+K"	39.970434
"701821"	1862.843817	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+H+K"	39.970434
"1449080"	634.271417	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H+K"	39.970434
"240233"	2499.178626	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+ACN+H"	42.033826
"1220232"	1270.606226	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+ACN+H"	42.033826
"1203021"	635.806751	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+ACN+2H"	43.041102
"188611"	2502.11596	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+2Na-H"	44.97116
"628884"	3730.68836	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+2Na-H"	44.97116
"1131581"	1273.54356	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2Na-H"	44.97116
"184448"	1251.561618	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+2Na"	45.978436
"625470"	1865.847818	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+2Na"	45.978436
"1128244"	637.275418	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2Na"	45.978436
"1411408"	425.186037333333	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H+2Na"	46.985712
"1442793"	1275.585146	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H+HCOOH"	47.012746
"231756"	1256.59464	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+3H2O+2H"	56.04448
"1522007"	1289.63719	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+IsoProp+H"	61.06479
"423029"	1259.548588	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+Na+K"	61.952376
"784147"	1873.834788	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+Na+K"	61.952376
"1676831"	645.262388	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Na+K"	61.952376
"263352"	2521.160568	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+ACN+Na"	64.015768
"1237154"	1292.588168	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+ACN+Na"	64.015768
"1721668"	1292.611693	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+NH4+HCOOH"	64.039293
"1188117"	432.513351333333	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+3Na"	68.967654
"1659829"	1297.567088	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Na+HCOOH"	68.994688
"165961"	2534.06384	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+2K-H"	76.91904
"602605"	3762.63624	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+2K-H"	76.91904
"1088211"	1305.49144	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2K-H"	76.91904
"144668"	1267.535558	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"2M+2K"	77.926316
"581675"	1881.821758	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"3M+2K"	77.926316
"1078588"	653.249358	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2K"	77.926316
"1107423"	1307.505992	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2K+H"	78.933592
"1337247"	1307.593607	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+DMSO+H"	79.021207
"1016712"	1311.632776	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2ACN+H"	83.060376
"1537022"	1312.626408	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+IsoProp+Na+H"	84.054008
"1004565"	656.320026	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+2ACN+2H"	84.067652
"1601255"	1313.541028	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+K+HCOOH"	84.968628
"1425822"	1343.572538	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+H+CF3COOH"	115.000138
"1156115"	676.833301	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+3ACN+2H"	125.094202
"1706764"	1360.599085	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+NH4+CF3COOH"	132.026685
"1647517"	1365.55448	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+Na+CF3COOH"	136.98208
"1579158"	1381.52842	"C00765"	"Digitonin"	"C56H92O29"	"1228.5724"	"M+K+CF3COOH"	152.95602
"806244"	224.0837	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M"	0
"974951"	205.06531	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-H2O-H"	-19.01839
"63762"	148.381857333333	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M-3H"	-3.021828
"504297"	223.076424	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M-3H"	-3.021828
"881733"	73.6872906666667	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-3H"	-3.021828
"5051"	223.076424	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M-2H"	-2.014552
"448984"	335.118274	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M-2H"	-2.014552
"831162"	111.034574	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-2H"	-2.014552
"94077"	447.160124	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M-H"	-1.007276
"533520"	671.243824	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M-H"	-1.007276
"910921"	223.076424	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-H"	-1.007276
"62495"	464.186671	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M-2H+NH4"	16.019271
"501844"	688.270371	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M-2H+NH4"	16.019271
"878918"	240.102971	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-2H+NH4"	16.019271
"45978"	469.142066	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M-2H+Na"	20.974666
"482248"	693.225766	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M-2H+Na"	20.974666
"860050"	245.058366	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-2H+Na"	20.974666
"1633113"	245.058366	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Na-2H"	20.974666
"108058"	241.064763	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M-H+Cl"	33.962126
"549206"	353.106613	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M-H+Cl"	33.962126
"940282"	129.022913	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-H+Cl"	33.962126
"278840"	483.136802	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+Cl"	34.969402
"674787"	707.220502	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+Cl"	34.969402
"1278197"	259.053102	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Cl"	34.969402
"21847"	485.116006	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M-2H+K"	36.948606
"464687"	709.199706	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M-2H+K"	36.948606
"837021"	261.032306	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-2H+K"	36.948606
"1565977"	261.032306	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+K-2H"	36.948606
"952766"	269.081894	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-H+HCOOH"	44.998194
"369886"	493.165601	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+HCOOH-H"	44.998201
"350120"	507.181251	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+Hac-H"	59.013851
"1499321"	283.097551	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Hac-H"	59.013851
"965768"	291.063851	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-H+NaCOOH"	66.980151
"111403"	259.053102	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+2Cl"	69.938804
"564093"	371.094952	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+2Cl"	69.938804
"1029612"	147.011252	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2Cl"	69.938804
"1253563"	303.002585	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Br"	78.918885
"1316009"	305.058572	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Cl+HCOOH"	80.974872
"1328038"	327.040529	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Cl+NaCOOH"	102.956829
"914722"	337.069286	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M-H+CF3COOH"	112.985586
"1292525"	373.045964	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Cl+CF3COOH"	148.962264
"1371778"	189.071024	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H-2H2O"	-35.012676
"1383808"	207.081	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H-H2O"	-17.0027
"285681"	449.174676	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+H"	1.007276
"681385"	673.258376	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+H"	1.007276
"1359920"	225.090976	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H"	1.007276
"126613"	225.090976	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+2H"	2.014552
"571279"	337.132826	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+2H"	2.014552
"1040443"	113.049126	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2H"	2.014552
"209437"	150.396409333333	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+3H"	3.021828
"648996"	225.090976	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+3H"	3.021828
"1164207"	75.7018426666667	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+3H"	3.021828
"431124"	466.201223	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+NH4"	18.033823
"787015"	690.284923	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+NH4"	18.033823
"1681410"	242.117523	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+NH4"	18.033823
"344396"	233.6042495	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+H+NH4"	19.041099
"734632"	345.6460995	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+H+NH4"	19.041099
"1485173"	121.5623995	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H+NH4"	19.041099
"399478"	471.156618	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+Na"	22.989218
"763757"	695.240318	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+Na"	22.989218
"1614772"	247.072918	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Na"	22.989218
"318609"	236.081947	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+H+Na"	23.996494
"715405"	348.123797	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+H+Na"	23.996494
"1470319"	124.040097	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H+Na"	23.996494
"1064656"	83.0291566666667	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2H+Na"	25.00377
"1264145"	257.117186	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+CH3OH+H"	33.033486
"382724"	487.130558	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+K"	38.963158
"744812"	711.214258	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+K"	38.963158
"1551973"	263.046858	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+K"	38.963158
"310606"	244.068917	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+H+K"	39.970434
"699745"	356.110767	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+H+K"	39.970434
"1448097"	132.027067	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H+K"	39.970434
"239980"	490.201226	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+ACN+H"	42.033826
"1219978"	266.117526	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+ACN+H"	42.033826
"1202037"	133.562401	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+ACN+2H"	43.041102
"194179"	493.13856	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+2Na-H"	44.97116
"628751"	717.22226	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+2Na-H"	44.97116
"1131567"	269.05486	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2Na-H"	44.97116
"185774"	247.072918	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+2Na"	45.978436
"624849"	359.114768	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+2Na"	45.978436
"1129693"	135.031068	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2Na"	45.978436
"1412122"	90.3564706666667	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H+2Na"	46.985712
"1442172"	271.096446	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H+HCOOH"	47.012746
"231867"	252.10594	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+3H2O+2H"	56.04448
"1519929"	285.14849	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+IsoProp+H"	61.06479
"422896"	255.059888	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+Na+K"	61.952376
"784744"	367.101738	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+Na+K"	61.952376
"1680102"	143.018038	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Na+K"	61.952376
"265283"	512.183168	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+ACN+Na"	64.015768
"1237993"	288.099468	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+ACN+Na"	64.015768
"1722871"	288.122993	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+NH4+HCOOH"	64.039293
"1190048"	97.6837846666667	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+3Na"	68.967654
"1660668"	293.078388	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Na+HCOOH"	68.994688
"162426"	525.08644	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+2K-H"	76.91904
"604177"	749.17014	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+2K-H"	76.91904
"1086865"	301.00274	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2K-H"	76.91904
"142591"	263.046858	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"2M+2K"	77.926316
"582394"	375.088708	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"3M+2K"	77.926316
"1079791"	151.005008	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2K"	77.926316
"1107533"	303.017292	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2K+H"	78.933592
"1340637"	303.104907	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+DMSO+H"	79.021207
"1014636"	307.144076	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2ACN+H"	83.060376
"1537863"	308.137708	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+IsoProp+Na+H"	84.054008
"1002489"	154.075676	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+2ACN+2H"	84.067652
"1600271"	309.052328	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+K+HCOOH"	84.968628
"1425932"	339.083838	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+H+CF3COOH"	115.000138
"1150757"	174.588951	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+3ACN+2H"	125.094202
"1709061"	356.110385	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+NH4+CF3COOH"	132.026685
"1647627"	361.06578	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+Na+CF3COOH"	136.98208
"1579268"	377.03972	"C00766"	"Flavanone;23-Dihydroflavone"	"C15H12O2"	"224.0837"	"M+K+CF3COOH"	152.95602
"806354"	155.0695	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M"	0
"974781"	136.05111	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H2O-H"	-19.01839
"62960"	102.372390666667	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-3H"	-3.021828
"504528"	154.062224	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-3H"	-3.021828
"881480"	50.6825573333333	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-3H"	-3.021828
"5161"	154.062224	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H"	-2.014552
"449094"	231.596974	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H"	-2.014552
"832123"	76.527474	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H"	-2.014552
"93661"	309.131724	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-H"	-1.007276
"533915"	464.201224	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-H"	-1.007276
"910709"	154.062224	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H"	-1.007276
"62159"	326.158271	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+NH4"	16.019271
"501225"	481.227771	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+NH4"	16.019271
"878664"	171.088771	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+NH4"	16.019271
"46450"	331.113666	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+Na"	20.974666
"485638"	486.183166	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+Na"	20.974666
"860160"	176.044166	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+Na"	20.974666
"1632612"	176.044166	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na-2H"	20.974666
"106222"	172.050563	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-H+Cl"	33.962126
"549115"	249.585313	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-H+Cl"	33.962126
"939298"	94.515813	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+Cl"	33.962126
"276762"	345.108402	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Cl"	34.969402
"671371"	500.177902	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Cl"	34.969402
"1280493"	190.038902	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl"	34.969402
"23050"	347.087606	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+K"	36.948606
"462609"	502.157106	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+K"	36.948606
"836036"	192.018106	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+K"	36.948606
"1558793"	192.018106	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K-2H"	36.948606
"949595"	200.067694	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+HCOOH"	44.998194
"366715"	355.137201	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+HCOOH-H"	44.998201
"352782"	369.152851	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Hac-H"	59.013851
"1498336"	214.083351	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Hac-H"	59.013851
"961503"	222.049651	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+NaCOOH"	66.980151
"110905"	190.038902	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Cl"	69.938804
"560922"	267.573652	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Cl"	69.938804
"1031909"	112.504152	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Cl"	69.938804
"1252580"	233.988385	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Br"	78.918885
"1311746"	236.044372	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+HCOOH"	80.974872
"1321588"	258.026329	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+NaCOOH"	102.956829
"913740"	268.055086	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+CF3COOH"	112.985586
"1288746"	304.031764	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+CF3COOH"	148.962264
"1370795"	120.056824	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H-2H2O"	-35.012676
"1383919"	138.0668	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H-H2O"	-17.0027
"284698"	311.146276	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H"	1.007276
"678215"	466.215776	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H"	1.007276
"1356752"	156.076776	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H"	1.007276
"127452"	156.076776	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2H"	2.014552
"567015"	233.611526	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2H"	2.014552
"1040191"	78.542026	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2H"	2.014552
"208090"	104.386942666667	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+3H"	3.021828
"646919"	156.076776	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+3H"	3.021828
"1165776"	52.6971093333333	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3H"	3.021828
"430141"	328.172823	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+NH4"	18.033823
"787247"	483.242323	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+NH4"	18.033823
"1681871"	173.103323	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4"	18.033823
"344144"	164.5900495	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+NH4"	19.041099
"734742"	242.1247995	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+NH4"	19.041099
"1486376"	87.0552995	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+NH4"	19.041099
"399589"	333.128218	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Na"	22.989218
"763867"	488.197718	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Na"	22.989218
"1615246"	178.058718	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na"	22.989218
"320906"	167.067747	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+Na"	23.996494
"716609"	244.602497	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+Na"	23.996494
"1473346"	89.532997	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+Na"	23.996494
"1064768"	60.0244233333333	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2H+Na"	25.00377
"1268631"	188.102986	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+CH3OH+H"	33.033486
"382834"	349.102158	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+K"	38.963158
"748202"	504.171658	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+K"	38.963158
"1552813"	194.032658	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K"	38.963158
"310716"	175.054717	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+K"	39.970434
"702042"	252.589467	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+K"	39.970434
"1450394"	97.519967	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+K"	39.970434
"241183"	352.172826	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+ACN+H"	42.033826
"1222275"	197.103326	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+H"	42.033826
"1204334"	99.055301	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+2H"	43.041102
"192831"	355.11016	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Na-H"	44.97116
"629470"	510.17966	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Na-H"	44.97116
"1132365"	200.04066	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Na-H"	44.97116
"186616"	178.058718	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Na"	45.978436
"623866"	255.593468	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Na"	45.978436
"1130048"	100.523968	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Na"	45.978436
"1411990"	67.3517373333333	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+2Na"	46.985712
"1443621"	202.082246	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+HCOOH"	47.012746
"230886"	183.09174	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+3H2O+2H"	56.04448
"1518947"	216.13429	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+IsoProp+H"	61.06479
"422642"	186.045688	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Na+K"	61.952376
"782908"	263.580438	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Na+K"	61.952376
"1678146"	108.510938	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+K"	61.952376
"264665"	374.154768	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+ACN+Na"	64.015768
"1237010"	219.085268	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+Na"	64.015768
"1725535"	219.108793	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4+HCOOH"	64.039293
"1189431"	74.6790513333333	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3Na"	68.967654
"1660415"	224.064188	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+HCOOH"	68.994688
"165089"	387.05804	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2K-H"	76.91904
"600275"	542.12754	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2K-H"	76.91904
"1086975"	231.98854	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K-H"	76.91904
"142091"	194.032658	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2K"	77.926316
"581528"	271.567408	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2K"	77.926316
"1070177"	116.497908	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K"	77.926316
"1107641"	234.003092	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K+H"	78.933592
"1340747"	234.090707	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+DMSO+H"	79.021207
"1015840"	238.129876	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2ACN+H"	83.060376
"1538096"	239.123508	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+IsoProp+Na+H"	84.054008
"1002599"	119.568576	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2ACN+2H"	84.067652
"1600381"	240.038128	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K+HCOOH"	84.968628
"1427136"	270.069638	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+CF3COOH"	115.000138
"1153054"	140.081851	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3ACN+2H"	125.094202
"1710264"	287.096185	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4+CF3COOH"	132.026685
"1647737"	292.05158	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+CF3COOH"	136.98208
"1579378"	308.02552	"C00768"	"Histidine;alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K+CF3COOH"	152.95602
"806464"	196.0583	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M"	0
"974649"	177.03991	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"63493"	129.698257333333	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"504151"	195.051024	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"884506"	64.3454906666667	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"5271"	195.051024	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"449204"	293.080174	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"830287"	97.021874	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"93446"	391.109324	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"533870"	587.167624	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"911185"	195.051024	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"62222"	408.135871	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"501334"	604.194171	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"877192"	212.077571	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"46314"	413.091266	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"482467"	609.149566	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"860270"	217.032966	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1632843"	217.032966	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"105240"	213.039363	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"548932"	311.068513	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"937219"	115.010213	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"281977"	427.086002	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"673546"	623.144302	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1281696"	231.027702	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"20972"	429.065206	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"462719"	625.123506	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"836147"	233.006906	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1558175"	233.006906	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"948611"	241.056494	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"366825"	437.114801	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"352163"	451.130451	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1499540"	255.072151	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"961249"	263.038451	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"111132"	231.027702	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"559938"	329.056852	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1028738"	132.998552	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1252690"	274.977185	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1311856"	277.033172	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1321698"	299.015129	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"913850"	309.043886	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1289829"	345.020564	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1367985"	161.045624	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1384028"	179.0556	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"283836"	393.123876	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"678324"	589.182176	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1354675"	197.065576	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"127562"	197.065576	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"567487"	295.094726	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1039570"	99.036426	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"207105"	131.712809333333	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"646666"	197.065576	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1165886"	66.3600426666667	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"425997"	410.150423	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"786749"	606.208723	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1681617"	214.092123	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"345309"	205.5788495	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"731573"	303.6079995	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1483207"	107.5496995	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"406992"	415.105818	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"769453"	611.164118	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1616817"	219.047518	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"329289"	208.056547	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"722562"	306.085697	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1475282"	110.027397	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1064878"	73.6873566666667	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1268742"	229.091786	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"384038"	431.079758	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"749773"	627.138058	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1552560"	235.021458	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"304266"	216.043517	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"697780"	314.072667	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1452691"	118.014367	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"239104"	434.150426	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1216189"	238.092126	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1204445"	119.549701	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"196222"	437.08776	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"629947"	633.14606	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1132115"	241.02946	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"187699"	219.047518	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"626898"	317.076668	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1127848"	121.018368	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1412953"	81.0146706666667	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1442391"	243.071046	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"233183"	224.08054	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1520149"	257.12309	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"420929"	227.034488	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"780829"	325.063638	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1679349"	129.005338	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"262587"	456.132368	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1237484"	260.074068	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1726008"	260.097593	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1188446"	88.3419846666667	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1660523"	265.052988	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"164104"	469.03564	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"601113"	665.09394	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1085993"	272.97734	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"142684"	235.021458	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"582126"	333.050608	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1071259"	136.992308	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1107751"	274.991892	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1340856"	275.079507	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1013763"	279.118676	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1537352"	280.112308	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"1004654"	140.062976	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1600491"	281.026928	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1427246"	311.058438	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1149884"	160.576251	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1710374"	328.084985	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1647847"	333.04038	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1579488"	349.01432	"C00770"	"L-Idonate"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"806575"	146.0579	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M"	0
"977191"	127.03951	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"65432"	96.3646573333333	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"504501"	145.050624	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"884619"	47.6786906666667	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"3920"	145.050624	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"449315"	218.079574	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"829303"	72.021674	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"89295"	291.108524	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"532136"	437.166424	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"911249"	145.050624	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"62567"	308.135071	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"502739"	454.192971	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"879620"	162.077171	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"46055"	313.090466	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"484766"	459.148366	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"864119"	167.032566	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1632347"	167.032566	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"109851"	163.038963	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"546004"	236.067913	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"941707"	90.010013	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"275889"	327.085202	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"670497"	473.143102	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1279619"	181.027302	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"22176"	329.064406	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"458091"	475.122306	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"837351"	183.006506	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1557922"	183.006506	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"945439"	191.056094	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"366935"	337.114001	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"347540"	351.129651	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1497466"	205.071751	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"959544"	213.038051	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"115383"	181.027302	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"558953"	254.056252	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1029941"	107.998352	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1245144"	224.976785	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1311966"	227.032772	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1325088"	249.014729	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"917240"	259.043486	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1289814"	295.020164	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1371020"	111.045224	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1384506"	129.0552	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"284192"	293.123076	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"676978"	439.180976	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1352964"	147.065176	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"127676"	147.065176	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"578175"	220.094126	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1045880"	74.036226	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"206491"	98.3792093333333	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"646775"	147.065176	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1163442"	49.6932426666667	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"425255"	310.149623	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"788808"	456.207523	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1692076"	164.091723	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"339262"	155.5784495	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"733872"	228.6073995	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1490609"	82.5494995	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"407594"	315.105018	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"769609"	461.162918	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1617177"	169.047118	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"329941"	158.056147	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"721580"	231.085097	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1476493"	85.027197	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1067180"	57.0205566666667	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1268857"	179.091386	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"390351"	331.078958	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"746245"	477.136858	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1550483"	185.021058	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"305471"	166.043117	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"696797"	239.072067	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1452801"	93.014167	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"239579"	334.149626	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1212287"	188.091726	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1195684"	94.549501	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"189767"	337.08696	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"629046"	483.14486	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1145252"	191.02906	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"183808"	169.047118	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"626645"	242.076068	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1127960"	96.018168	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1412211"	64.3478706666667	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1443235"	193.070646	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"233660"	174.08014	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1521355"	207.12269	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"422134"	177.034088	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"776567"	250.063038	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1671806"	104.005138	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"259417"	356.131568	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1239419"	210.073668	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1727213"	210.097193	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1189648"	71.6751846666667	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1660636"	215.052588	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"166402"	369.03484	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"601591"	515.09274	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1086107"	222.97694	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"141658"	185.021058	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"590142"	258.050008	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1074653"	111.992108	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1110052"	224.991492	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1340968"	225.079107	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1017152"	229.118276	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1537463"	230.111908	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"1000635"	115.062776	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1598416"	231.026528	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1422986"	261.058038	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1157650"	135.576051	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1703921"	278.084585	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1645039"	283.03998	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1576317"	299.01392	"C00772"	"Mevaldate;Mevaldic acid"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"801535"	685.4626	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M"	0
"976937"	666.44421	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-H2O-H"	-19.01839
"63475"	455.967790666667	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M-3H"	-3.021828
"502827"	684.455324	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M-3H"	-3.021828
"884729"	227.480257333333	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-3H"	-3.021828
"4395"	684.455324	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M-2H"	-2.014552
"443955"	1027.186624	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M-2H"	-2.014552
"827226"	341.724024	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-2H"	-2.014552
"89404"	1369.917924	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M-H"	-1.007276
"531153"	2055.380524	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M-H"	-1.007276
"910660"	684.455324	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-H"	-1.007276
"60902"	1386.944471	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M-2H+NH4"	16.019271
"502696"	2072.407071	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M-2H+NH4"	16.019271
"879483"	701.481871	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-2H+NH4"	16.019271
"45680"	1391.899866	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M-2H+Na"	20.974666
"481596"	2077.362466	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M-2H+Na"	20.974666
"861951"	706.437266	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-2H+Na"	20.974666
"1632214"	706.437266	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Na-2H"	20.974666
"108744"	702.443663	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M-H+Cl"	33.962126
"546114"	1045.174963	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M-H+Cl"	33.962126
"939996"	359.712363	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-H+Cl"	33.962126
"275999"	1405.894602	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+Cl"	34.969402
"670606"	2091.357202	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+Cl"	34.969402
"1279729"	720.432002	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Cl"	34.969402
"19005"	1407.873806	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M-2H+K"	36.948606
"464033"	2093.336406	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M-2H+K"	36.948606
"839647"	722.411206	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-2H+K"	36.948606
"1557668"	722.411206	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+K-2H"	36.948606
"945548"	730.460794	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-H+HCOOH"	44.998194
"363765"	1415.923401	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+HCOOH-H"	44.998201
"347650"	1429.939051	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+Hac-H"	59.013851
"1496483"	744.476451	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Hac-H"	59.013851
"959654"	752.442751	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-H+NaCOOH"	66.980151
"115129"	720.432002	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+2Cl"	69.938804
"555783"	1063.163302	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+2Cl"	69.938804
"1030051"	377.700702	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2Cl"	69.938804
"1245254"	764.381485	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Br"	78.918885
"1312076"	766.437472	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Cl+HCOOH"	80.974872
"1322646"	788.419429	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Cl+NaCOOH"	102.956829
"914434"	798.448186	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M-H+CF3COOH"	112.985586
"1291140"	834.424864	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Cl+CF3COOH"	148.962264
"1367601"	650.449924	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H-2H2O"	-35.012676
"1383073"	668.4599	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H-H2O"	-17.0027
"283530"	1371.932476	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+H"	1.007276
"678543"	2057.395076	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+H"	1.007276
"1352710"	686.469876	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H"	1.007276
"126693"	686.469876	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+2H"	2.014552
"576098"	1029.201176	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+2H"	2.014552
"1045990"	343.738576	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2H"	2.014552
"206601"	457.982342666667	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+3H"	3.021828
"645184"	686.469876	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+3H"	3.021828
"1163064"	229.494809333333	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+3H"	3.021828
"424319"	1388.959023	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+NH4"	18.033823
"786731"	2074.421623	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+NH4"	18.033823
"1692186"	703.496423	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+NH4"	18.033823
"339372"	694.9831495	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+H+NH4"	19.041099
"733982"	1037.7144495	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+H+NH4"	19.041099
"1490355"	352.2518495	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H+NH4"	19.041099
"407582"	1393.914418	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+Na"	22.989218
"768216"	2079.377018	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+Na"	22.989218
"1616679"	708.451818	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Na"	22.989218
"328175"	697.460847	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+H+Na"	23.996494
"721933"	1040.192147	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+H+Na"	23.996494
"1476482"	354.729547	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H+Na"	23.996494
"1067291"	236.822123333333	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2H+Na"	25.00377
"1267874"	718.496086	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+CH3OH+H"	33.033486
"390096"	1409.888358	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+K"	38.963158
"746355"	2095.350958	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+K"	38.963158
"1549500"	724.425758	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+K"	38.963158
"304488"	705.447817	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+H+K"	39.970434
"694720"	1048.179117	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+H+K"	39.970434
"1450725"	362.716517	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H+K"	39.970434
"238596"	1412.959026	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+ACN+H"	42.033826
"1210166"	727.496426	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+ACN+H"	42.033826
"1194377"	364.251851	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+ACN+2H"	43.041102
"189309"	1415.89636	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+2Na-H"	44.97116
"629200"	2101.35896	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+2Na-H"	44.97116
"1146956"	730.43376	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2Na-H"	44.97116
"186826"	708.451818	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+2Na"	45.978436
"626387"	1051.183118	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+2Na"	45.978436
"1128799"	365.720518	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2Na"	45.978436
"1409405"	244.149437333333	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H+2Na"	46.985712
"1443345"	732.475346	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H+HCOOH"	47.012746
"233770"	713.48484	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+3H2O+2H"	56.04448
"1520371"	746.52739	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+IsoProp+H"	61.06479
"422244"	716.438788	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+Na+K"	61.952376
"778865"	1059.170088	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+Na+K"	61.952376
"1673009"	373.707488	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Na+K"	61.952376
"258434"	1434.940968	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+ACN+Na"	64.015768
"1239893"	749.478368	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+ACN+Na"	64.015768
"1726228"	749.501893	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+NH4+HCOOH"	64.039293
"1190124"	251.476751333333	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+3Na"	68.967654
"1660382"	754.457288	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Na+HCOOH"	68.994688
"166512"	1447.84424	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+2K-H"	76.91904
"601701"	2133.30684	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+2K-H"	76.91904
"1086217"	762.38164	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2K-H"	76.91904
"141690"	724.425758	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"2M+2K"	77.926316
"590252"	1067.157058	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"3M+2K"	77.926316
"1073669"	381.694458	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2K"	77.926316
"1110162"	764.396192	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2K+H"	78.933592
"1343265"	764.483807	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+DMSO+H"	79.021207
"1015076"	768.522976	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2ACN+H"	83.060376
"1536480"	769.516608	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+IsoProp+Na+H"	84.054008
"1000745"	384.765126	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+2ACN+2H"	84.067652
"1595246"	770.431228	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+K+HCOOH"	84.968628
"1423096"	800.462738	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+H+CF3COOH"	115.000138
"1157760"	405.278401	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+3ACN+2H"	125.094202
"1704031"	817.489285	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+NH4+CF3COOH"	132.026685
"1645149"	822.44468	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+Na+CF3COOH"	136.98208
"1574240"	838.41862	"C00773"	"Pepstatin"	"C34H63N5O9"	"685.4626"	"M+K+CF3COOH"	152.95602
"801393"	274.0841	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M"	0
"977047"	255.06571	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"64558"	181.715457333333	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"503752"	273.076824	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"884839"	90.3540906666667	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"3412"	273.076824	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"446252"	410.118874	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"824056"	136.034774	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"89514"	547.160924	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"530900"	821.245024	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"910776"	273.076824	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"59067"	564.187471	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"501791"	838.271571	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"878743"	290.103371	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"46034"	569.142866	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"484863"	843.226966	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"859507"	295.058766	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1631955"	295.058766	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"104475"	291.065163	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"544036"	428.107213	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"934271"	154.023113	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"275015"	583.137602	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"666343"	857.221702	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1279839"	309.053502	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"21302"	585.116806	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"461956"	859.200906	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"843039"	311.032706	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1564340"	311.032706	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"946024"	319.082294	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"366063"	593.166401	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"350671"	607.182051	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1496590"	333.097951	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"963045"	341.064251	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"115239"	309.053502	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"553706"	446.095552	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1027974"	172.011452	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1245364"	353.002985	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1309999"	355.058972	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1321662"	377.040929	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"914543"	387.069686	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1290520"	423.046364	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1368680"	239.071424	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1384358"	257.0814	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"285140"	549.175476	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"679747"	823.259576	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1356097"	275.091376	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"128991"	275.091376	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"576208"	412.133426	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1045007"	138.049326	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"206347"	183.730009333333	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"644812"	275.091376	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1164756"	92.3686426666667	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"425840"	566.202023	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"791581"	840.286123	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1694117"	292.117923	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"337296"	283.6046495	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"732999"	420.6466995	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1489736"	146.5625995	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"406595"	571.157418	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"768933"	845.241518	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1618359"	297.073318	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"327798"	286.082347	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"719248"	423.124397	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1476715"	149.040297	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1065942"	99.6959566666666	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1269077"	307.117586	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"389841"	587.131358	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"746465"	861.215458	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1550704"	313.047258	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"307878"	294.069317	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"697381"	431.111367	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1451928"	157.027267	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"239435"	590.202026	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1210561"	316.117926	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1194933"	158.562601	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"191084"	593.13936	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"630282"	867.22346	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1145468"	319.05526	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"186572"	297.073318	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"623946"	434.115368	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1127088"	160.031268	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1408424"	107.023270666667	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1443092"	321.096846	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"234611"	302.10634	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1519390"	335.14889	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"421627"	305.060288	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"778974"	442.102338	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1674212"	168.018238	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"262190"	612.183968	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1241249"	338.099868	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1727434"	338.123393	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1191330"	114.350584666667	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1664140"	343.078788	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"168084"	625.08724	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"606185"	899.17134	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1087420"	351.00314	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"142775"	313.047258	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"588173"	450.089308	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1071592"	176.005208	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1101887"	353.017692	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1341188"	353.105307	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1011904"	357.144476	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1531123"	358.138108	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"998668"	179.075876	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1592076"	359.052728	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1423206"	389.084238	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1157870"	199.589151	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1704141"	406.110785	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1645259"	411.06618	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1575443"	427.04012	"C00774"	"Phloretin"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"801638"	300.2089	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M"	0
"979343"	281.19051	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"63328"	199.131990666667	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"504957"	299.201624	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"888229"	99.0623573333333	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"6802"	299.201624	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"449644"	449.306074	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"827446"	149.097174	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"89624"	599.410524	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"531373"	899.619424	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"909174"	299.201624	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"59177"	616.437071	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"502353"	916.645971	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"878615"	316.228171	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"45053"	621.392466	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"482909"	921.601366	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"859617"	321.183566	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1628059"	321.183566	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"102400"	317.189963	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"547066"	467.294413	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"935475"	167.085513	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"271845"	635.387202	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"664262"	935.596102	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1277763"	335.178302	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"21412"	637.366406	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"459873"	937.575306	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"837309"	337.157506	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1557523"	337.157506	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"945405"	345.207094	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"362889"	645.416001	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"348231"	659.431651	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1495606"	359.222751	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"966443"	367.189051	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"116442"	335.178302	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"553816"	485.282752	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1022243"	185.073852	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1241501"	379.127785	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1305243"	381.183772	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1321771"	403.165729	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"913921"	413.194486	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1291356"	449.171164	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1372443"	265.196224	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1387753"	283.2062	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"284278"	601.425076	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"676823"	901.633976	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1360587"	301.216176	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"127644"	301.216176	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"570850"	451.320626	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1038672"	151.111726	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"205723"	201.146542666667	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"645282"	301.216176	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1163525"	101.076909333333	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"429607"	618.451623	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"800936"	918.660523	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1696058"	318.242723	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"341418"	309.7294495	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"734202"	459.8338995	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1491921"	159.6249995	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"405620"	623.407018	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"768680"	923.615918	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1617755"	323.198118	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"328395"	312.207147	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"721788"	462.311597	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1476458"	162.102697	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1067397"	108.404223333333	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1271742"	333.242386	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"387765"	639.380958	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"747667"	939.589858	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1549719"	339.172058	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"306893"	320.194117	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"698219"	470.298567	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1453132"	170.089667	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"238088"	642.451626	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1211403"	342.242726	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1197599"	171.625001	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"197762"	645.38896	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"642442"	945.59786	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1143032"	345.18006	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"185228"	323.198118	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"624425"	473.302568	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1127563"	173.093668	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1412913"	115.731537333333	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1442109"	347.221646	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"230709"	328.23114	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1519500"	361.27369	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"419184"	331.185088	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"779084"	481.289538	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1676145"	181.080638	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"260840"	664.433568	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1239750"	364.224668	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1725721"	364.248193	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1188522"	123.058851333333	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1663519"	369.203588	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"166370"	677.33684	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"605207"	977.54574	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1089719"	377.12794	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"142157"	339.172058	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"589377"	489.276508	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1076077"	189.067608	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1106007"	379.142492	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1341298"	379.230107	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1013107"	383.269276	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1534517"	384.262908	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"998778"	192.138276	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1602606"	385.177528	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1429396"	415.209038	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1160167"	212.651551	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1704251"	432.235585	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1648652"	437.19098	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1579930"	453.16492	"C00777"	"Retinoate;Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);Tretinoine (French) (EINECS);37-Dimethyl-9-(266-trimethyl-1-cyclohexene-1-yl)-2468-nonatetraenoic acid (ECL);(all-E)-37-Dimethyl-9-(266-trimethyl-1-cyclohexen-1-yl)-2468-nonatetraenoic acid;beta-Retinoic acid;AGN 100335;all-(E)-Retinoic acid;all-trans-beta-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Ro 1-5488;trans-Retinoic acid;Tretin M;all-trans-Vitamin A1 acid"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"810296"	194.0579	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M"	0
"987109"	175.03951	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"77423"	128.364657333333	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"518155"	193.050624	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"888340"	63.6786906666667	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"14208"	193.050624	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"448663"	290.079574	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"826464"	96.021674	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"91923"	387.108524	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"534004"	581.166424	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"909287"	193.050624	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"61354"	404.135071	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"501651"	598.192971	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"879334"	210.077171	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"46299"	409.090466	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"484112"	603.148366	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"863379"	215.032566	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1629263"	215.032566	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"106887"	211.038963	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"547540"	308.067913	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"935588"	114.010013	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"271955"	423.085202	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"662553"	617.143102	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1281153"	229.027302	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"21522"	425.064406	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"461080"	619.122306	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"835239"	231.006506	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1558363"	231.006506	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"945880"	239.056094	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"363731"	433.114001	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"347982"	447.129651	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1493290"	253.071751	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"973565"	261.038051	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"118742"	229.027302	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"553927"	326.056252	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1023820"	131.998352	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1241938"	272.976785	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1305112"	275.032772	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1321150"	297.014729	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"914402"	307.043486	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1298769"	343.020164	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1373648"	159.045224	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1391144"	177.0552	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"293020"	389.123076	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"683256"	583.180976	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1360699"	195.065176	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"131034"	195.065176	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"571324"	292.094126	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1039389"	98.036226	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"205105"	130.379209333333	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"645755"	195.065176	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1177016"	65.6932426666667	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"439202"	406.149623	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"799832"	600.207523	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1688147"	212.091723	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"339707"	203.5784495	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"736870"	300.6073995	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1492148"	106.5494995	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"405723"	411.105018	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"768907"	605.162918	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1615546"	217.047118	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"324851"	206.056147	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"722586"	303.085097	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1475718"	109.027197	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1067987"	73.0205566666667	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1266022"	227.091386	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"384594"	427.078958	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"751056"	621.136858	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1548733"	233.021058	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"304451"	214.043117	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"696143"	311.072067	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1451058"	117.014167	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"238200"	430.149626	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1211758"	236.091726	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1209020"	118.549501	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"202267"	433.08696	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"640731"	627.14486	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1143506"	239.02906	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"180964"	217.047118	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"625264"	314.076068	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1128770"	120.018168	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1412297"	80.3478706666667	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1442221"	241.070646	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"233377"	222.08014	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1522891"	255.12269	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"420391"	225.034088	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"782843"	322.063038	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1679175"	128.005138	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"263143"	452.131568	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1240225"	258.073668	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1727288"	258.097193	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1188995"	87.6751846666667	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1660712"	263.052588	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"171227"	465.03484	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"610786"	659.09274	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1096391"	270.97694	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"156741"	233.021058	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"595809"	330.050008	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1075096"	135.992108	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1103929"	272.991492	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1340316"	273.079107	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1020273"	277.118276	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1538881"	278.111908	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"1005580"	139.062776	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1599959"	279.026528	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1423431"	309.058038	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1151531"	159.576051	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1701085"	326.084585	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1638923"	331.03998	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1573480"	347.01392	"C00779"	"Scytalone;34-Dihydro-368-trihydoroxy-1(2H)-napthalenone"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"801656"	176.095	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M"	0
"978471"	157.07661	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-H2O-H"	-19.01839
"77650"	116.389390666667	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M-3H"	-3.021828
"512836"	175.087724	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M-3H"	-3.021828
"882984"	57.6910573333333	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-3H"	-3.021828
"13589"	175.087724	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M-2H"	-2.014552
"446587"	263.135224	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M-2H"	-2.014552
"824387"	87.040224	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-2H"	-2.014552
"87660"	351.182724	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M-H"	-1.007276
"534032"	527.277724	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M-H"	-1.007276
"909397"	175.087724	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-H"	-1.007276
"61585"	368.209271	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M-2H+NH4"	16.019271
"502003"	544.304271	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M-2H+NH4"	16.019271
"879610"	192.114271	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-2H+NH4"	16.019271
"46122"	373.164666	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M-2H+Na"	20.974666
"482036"	549.259666	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M-2H+Na"	20.974666
"864061"	197.069666	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-2H+Na"	20.974666
"1629373"	197.069666	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Na-2H"	20.974666
"101529"	193.076063	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M-H+Cl"	33.962126
"544370"	281.123563	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M-H+Cl"	33.962126
"932417"	105.028563	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-H+Cl"	33.962126
"270972"	387.159402	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+Cl"	34.969402
"661084"	563.254402	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+Cl"	34.969402
"1276159"	211.064402	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Cl"	34.969402
"19444"	389.138606	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M-2H+K"	36.948606
"460825"	565.233606	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M-2H+K"	36.948606
"834622"	213.043606	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-2H+K"	36.948606
"1557379"	213.043606	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+K-2H"	36.948606
"943801"	221.093194	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-H+HCOOH"	44.998194
"363477"	397.188201	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+HCOOH-H"	44.998201
"348092"	411.203851	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+Hac-H"	59.013851
"1493160"	235.108851	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Hac-H"	59.013851
"973837"	243.075151	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-H+NaCOOH"	66.980151
"115572"	211.064402	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+2Cl"	69.938804
"554037"	299.111902	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+2Cl"	69.938804
"1023930"	123.016902	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2Cl"	69.938804
"1242166"	255.013885	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Br"	78.918885
"1305707"	257.069872	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Cl+HCOOH"	80.974872
"1321987"	279.051829	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Cl+NaCOOH"	102.956829
"913782"	289.080586	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M-H+CF3COOH"	112.985586
"1298879"	325.057264	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Cl+CF3COOH"	148.962264
"1375944"	141.082324	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H-2H2O"	-35.012676
"1387974"	159.0923	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H-H2O"	-17.0027
"292037"	353.197276	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+H"	1.007276
"682273"	529.292276	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+H"	1.007276
"1358622"	177.102276	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H"	1.007276
"130416"	177.102276	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+2H"	2.014552
"568882"	265.149776	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+2H"	2.014552
"1039136"	89.054776	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2H"	2.014552
"205943"	118.403942666667	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+3H"	3.021828
"645379"	177.102276	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+3H"	3.021828
"1176762"	59.7056093333333	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+3H"	3.021828
"430920"	370.223823	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+NH4"	18.033823
"799214"	546.318823	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+NH4"	18.033823
"1691537"	194.128823	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+NH4"	18.033823
"339817"	185.6155495	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+H+NH4"	19.041099
"737345"	273.6630495	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+H+NH4"	19.041099
"1492220"	97.5680495	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H+NH4"	19.041099
"407656"	375.179218	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+Na"	22.989218
"768287"	551.274218	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+Na"	22.989218
"1616020"	199.084218	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Na"	22.989218
"326054"	188.093247	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+H+Na"	23.996494
"719937"	276.140747	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+H+Na"	23.996494
"1475584"	100.045747	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H+Na"	23.996494
"1068325"	67.0329233333333	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2H+Na"	25.00377
"1265038"	209.128486	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+CH3OH+H"	33.033486
"385797"	391.153158	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+K"	38.963158
"748979"	567.248158	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+K"	38.963158
"1548843"	215.058158	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+K"	38.963158
"304927"	196.080217	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+H+K"	39.970434
"696253"	284.127717	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+H+K"	39.970434
"1451168"	108.032717	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H+K"	39.970434
"238675"	394.223826	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+ACN+H"	42.033826
"1211747"	218.128826	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+ACN+H"	42.033826
"1209701"	109.568051	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+ACN+2H"	43.041102
"200185"	397.16116	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+2Na-H"	44.97116
"640838"	573.25616	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+2Na-H"	44.97116
"1143981"	221.06616	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2Na-H"	44.97116
"184353"	199.084218	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+2Na"	45.978436
"626104"	287.131718	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+2Na"	45.978436
"1126328"	111.036718	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2Na"	45.978436
"1410947"	74.3602373333333	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H+2Na"	46.985712
"1442697"	223.107746	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H+HCOOH"	47.012746
"234214"	204.11724	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+3H2O+2H"	56.04448
"1521544"	237.15979	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+IsoProp+H"	61.06479
"420133"	207.071188	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+Na+K"	61.952376
"783321"	295.118688	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+Na+K"	61.952376
"1678917"	119.023688	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Na+K"	61.952376
"263614"	416.205768	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+ACN+Na"	64.015768
"1240332"	240.110768	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+ACN+Na"	64.015768
"1723752"	240.134293	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+NH4+HCOOH"	64.039293
"1188012"	81.6875513333333	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+3Na"	68.967654
"1661185"	245.089688	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Na+HCOOH"	68.994688
"170609"	429.10904	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+2K-H"	76.91904
"609439"	605.20404	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+2K-H"	76.91904
"1096501"	253.01404	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2K-H"	76.91904
"156485"	215.058158	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"2M+2K"	77.926316
"595919"	303.105658	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"3M+2K"	77.926316
"1075206"	127.010658	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2K"	77.926316
"1103310"	255.028592	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2K+H"	78.933592
"1340426"	255.116207	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+DMSO+H"	79.021207
"1019892"	259.155376	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2ACN+H"	83.060376
"1538019"	260.149008	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+IsoProp+Na+H"	84.054008
"1005203"	130.081326	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+2ACN+2H"	84.067652
"1600069"	261.063628	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+K+HCOOH"	84.968628
"1423541"	291.095138	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+H+CF3COOH"	115.000138
"1151641"	150.594601	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+3ACN+2H"	125.094202
"1701195"	308.121685	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+NH4+CF3COOH"	132.026685
"1639033"	313.07708	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+Na+CF3COOH"	136.98208
"1573590"	329.05102	"C00780"	"Serotonin;3-(2-Aminoethyl)-1H-indol-5-ol;5-Hydroxytryptamine;Enteramine"	"C10H12N2O"	"176.095"	"M+K+CF3COOH"	152.95602
"805048"	139.0997	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M"	0
"988427"	120.08131	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-H2O-H"	-19.01839
"77160"	91.7258573333333	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M-3H"	-3.021828
"516962"	138.092424	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M-3H"	-3.021828
"894765"	45.3592906666667	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-3H"	-3.021828
"15528"	138.092424	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M-2H"	-2.014552
"454965"	207.642274	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M-2H"	-2.014552
"831063"	68.542574	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-2H"	-2.014552
"92874"	277.192124	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M-H"	-1.007276
"534178"	416.291824	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M-H"	-1.007276
"911261"	138.092424	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-H"	-1.007276
"62658"	294.218671	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M-2H+NH4"	16.019271
"502477"	433.318371	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M-2H+NH4"	16.019271
"879860"	155.118971	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-2H+NH4"	16.019271
"44776"	299.174066	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M-2H+Na"	20.974666
"484944"	438.273766	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M-2H+Na"	20.974666
"862748"	160.074366	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-2H+Na"	20.974666
"1629484"	160.074366	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Na-2H"	20.974666
"102732"	156.080763	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M-H+Cl"	33.962126
"545575"	225.630613	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M-H+Cl"	33.962126
"933621"	86.530913	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-H+Cl"	33.962126
"271084"	313.168802	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+Cl"	34.969402
"662409"	452.268502	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+Cl"	34.969402
"1275540"	174.069102	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Cl"	34.969402
"21743"	315.148006	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M-2H+K"	36.948606
"457658"	454.247706	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M-2H+K"	36.948606
"836918"	176.048306	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-2H+K"	36.948606
"1556272"	176.048306	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+K-2H"	36.948606
"944277"	184.097894	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-H+HCOOH"	44.998194
"361612"	323.197601	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+HCOOH-H"	44.998201
"346417"	337.213251	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+Hac-H"	59.013851
"1493271"	198.113551	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Hac-H"	59.013851
"971878"	206.079851	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-H+NaCOOH"	66.980151
"115682"	174.069102	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+2Cl"	69.938804
"554148"	243.618952	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+2Cl"	69.938804
"1022948"	104.519252	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2Cl"	69.938804
"1243252"	218.018585	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Br"	78.918885
"1304726"	220.074572	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Cl+HCOOH"	80.974872
"1321368"	242.056529	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Cl+NaCOOH"	102.956829
"912432"	252.085286	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M-H+CF3COOH"	112.985586
"1295707"	288.061964	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Cl+CF3COOH"	148.962264
"1374963"	104.087024	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H-2H2O"	-35.012676
"1393552"	122.097	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H-H2O"	-17.0027
"295426"	279.206676	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+H"	1.007276
"683476"	418.306376	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+H"	1.007276
"1358732"	140.106976	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H"	1.007276
"130526"	140.106976	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+2H"	2.014552
"568994"	209.656826	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+2H"	2.014552
"1041438"	70.557126	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2H"	2.014552
"205327"	93.7404093333333	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+3H"	3.021828
"645978"	140.106976	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+3H"	3.021828
"1174686"	47.3738426666667	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+3H"	3.021828
"432122"	296.233223	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+NH4"	18.033823
"794943"	435.332923	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+NH4"	18.033823
"1693471"	157.133523	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+NH4"	18.033823
"338833"	148.6202495	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+H+NH4"	19.041099
"733445"	218.1700995	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+H+NH4"	19.041099
"1491276"	79.0703995	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H+NH4"	19.041099
"407038"	301.188618	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+Na"	22.989218
"768762"	440.288318	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+Na"	22.989218
"1617592"	162.088918	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Na"	22.989218
"328719"	151.097947	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+H+Na"	23.996494
"720047"	220.647797	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+H+Na"	23.996494
"1474965"	81.548097	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H+Na"	23.996494
"1067844"	54.7011566666667	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2H+Na"	25.00377
"1267336"	172.133186	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+CH3OH+H"	33.033486
"387001"	317.162558	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+K"	38.963158
"746903"	456.262258	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+K"	38.963158
"1553328"	178.062858	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+K"	38.963158
"305036"	159.084917	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+H+K"	39.970434
"695270"	228.634767	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+H+K"	39.970434
"1453467"	89.535067	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H+K"	39.970434
"239881"	320.233226	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+ACN+H"	42.033826
"1213682"	181.133526	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+ACN+H"	42.033826
"1200847"	91.070401	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+ACN+2H"	43.041102
"201754"	323.17056	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+2Na-H"	44.97116
"640949"	462.27026	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+2Na-H"	44.97116
"1143728"	184.07086	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2Na-H"	44.97116
"185557"	162.088918	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+2Na"	45.978436
"627674"	231.638768	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+2Na"	45.978436
"1128991"	92.539068	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2Na"	45.978436
"1413003"	62.0284706666667	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H+2Na"	46.985712
"1444630"	186.112446	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H+HCOOH"	47.012746
"234325"	167.12194	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+3H2O+2H"	56.04448
"1521655"	200.16449	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+IsoProp+H"	61.06479
"419882"	170.075888	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+Na+K"	61.952376
"782701"	239.625738	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+Na+K"	61.952376
"1677571"	100.526038	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Na+K"	61.952376
"264090"	342.215168	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+ACN+Na"	64.015768
"1237162"	203.115468	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+ACN+Na"	64.015768
"1724591"	203.138993	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+NH4+HCOOH"	64.039293
"1188122"	69.3557846666667	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+3Na"	68.967654
"1656921"	208.094388	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Na+HCOOH"	68.994688
"170719"	355.11844	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+2K-H"	76.91904
"609185"	494.21814	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+2K-H"	76.91904
"1099618"	216.01874	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2K-H"	76.91904
"156927"	178.062858	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"2M+2K"	77.926316
"596801"	247.612708	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"3M+2K"	77.926316
"1078597"	108.513008	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2K"	77.926316
"1106338"	218.033292	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2K+H"	78.933592
"1342725"	218.120907	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+DMSO+H"	79.021207
"1020614"	222.160076	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2ACN+H"	83.060376
"1538129"	223.153708	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+IsoProp+Na+H"	84.054008
"1005436"	111.583676	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+2ACN+2H"	84.067652
"1601030"	224.068328	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+K+HCOOH"	84.968628
"1425839"	254.099838	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+H+CF3COOH"	115.000138
"1162527"	132.096951	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+3ACN+2H"	125.094202
"1712117"	271.126385	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+NH4+CF3COOH"	132.026685
"1645701"	276.08178	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+Na+CF3COOH"	136.98208
"1573700"	292.05572	"C00783"	"Tropinone;3-Tropanone"	"C8H13NO"	"139.0997"	"M+K+CF3COOH"	152.95602
"801958"	138.0429	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M"	0
"987442"	119.02451	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-H2O-H"	-19.01839
"77634"	91.021324	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M-3H"	-3.021828
"517437"	137.035624	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M-3H"	-3.021828
"894997"	45.007024	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-3H"	-3.021828
"15354"	137.035624	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M-2H"	-2.014552
"455115"	206.057074	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M-2H"	-2.014552
"830444"	68.014174	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-2H"	-2.014552
"93229"	275.078524	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M-H"	-1.007276
"533652"	413.121424	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M-H"	-1.007276
"910840"	137.035624	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-H"	-1.007276
"62184"	292.105071	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M-2H+NH4"	16.019271
"502385"	430.147971	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M-2H+NH4"	16.019271
"879175"	154.062171	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-2H+NH4"	16.019271
"45980"	297.060466	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M-2H+Na"	20.974666
"484325"	435.103366	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M-2H+Na"	20.974666
"863790"	159.017566	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-2H+Na"	20.974666
"1629594"	159.017566	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Na-2H"	20.974666
"105757"	155.023963	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M-H+Cl"	33.962126
"541311"	224.045413	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M-H+Cl"	33.962126
"932638"	86.002513	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-H+Cl"	33.962126
"274474"	311.055202	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+Cl"	34.969402
"665799"	449.098102	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+Cl"	34.969402
"1279293"	173.012302	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Cl"	34.969402
"21853"	313.034406	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M-2H+K"	36.948606
"459227"	451.077306	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M-2H+K"	36.948606
"837028"	174.991506	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-2H+K"	36.948606
"1555898"	174.991506	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+K-2H"	36.948606
"944022"	183.041094	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-H+HCOOH"	44.998194
"361994"	321.084001	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+HCOOH-H"	44.998201
"346852"	335.099651	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+Hac-H"	59.013851
"1493502"	197.056751	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Hac-H"	59.013851
"967975"	205.023051	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-H+NaCOOH"	66.980151
"115792"	173.012302	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+2Cl"	69.938804
"554257"	242.033752	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+2Cl"	69.938804
"1023058"	103.990852	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2Cl"	69.938804
"1242022"	216.961785	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Br"	78.918885
"1305441"	219.017772	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Cl+HCOOH"	80.974872
"1321115"	240.999729	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Cl+NaCOOH"	102.956829
"912174"	251.028486	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M-H+CF3COOH"	112.985586
"1294723"	287.005164	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Cl+CF3COOH"	148.962264
"1376166"	103.030224	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H-2H2O"	-35.012676
"1395485"	121.0402	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H-H2O"	-17.0027
"295534"	277.093076	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+H"	1.007276
"685772"	415.135976	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+H"	1.007276
"1358842"	139.050176	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H"	1.007276
"130636"	139.050176	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+2H"	2.014552
"569104"	208.071626	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+2H"	2.014552
"1041184"	70.028726	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2H"	2.014552
"205801"	93.035876	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+3H"	3.021828
"646453"	139.050176	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+3H"	3.021828
"1172241"	47.021576	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+3H"	3.021828
"433325"	294.119623	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+NH4"	18.033823
"795415"	432.162523	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+NH4"	18.033823
"1692853"	156.076723	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+NH4"	18.033823
"339672"	147.5634495	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+H+NH4"	19.041099
"732461"	216.5848995	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+H+NH4"	19.041099
"1489930"	78.5419995	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H+NH4"	19.041099
"406422"	299.075018	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+Na"	22.989218
"767050"	437.117918	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+Na"	22.989218
"1615514"	161.032118	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Na"	22.989218
"324820"	150.041147	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+H+Na"	23.996494
"716877"	219.062597	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+H+Na"	23.996494
"1473982"	81.019697	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H+Na"	23.996494
"1065768"	54.34889	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2H+Na"	25.00377
"1267444"	171.076386	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+CH3OH+H"	33.033486
"384925"	315.048958	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+K"	38.963158
"748109"	453.091858	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+K"	38.963158
"1547971"	177.006058	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+K"	38.963158
"302960"	158.028117	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+H+K"	39.970434
"694287"	227.049567	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+H+K"	39.970434
"1452484"	89.006667	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H+K"	39.970434
"238898"	318.119626	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+ACN+H"	42.033826
"1213792"	180.076726	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+ACN+H"	42.033826
"1198771"	90.542001	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+ACN+2H"	43.041102
"201864"	321.05696	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+2Na-H"	44.97116
"641056"	459.09986	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+2Na-H"	44.97116
"1142014"	183.01406	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2Na-H"	44.97116
"186759"	161.032118	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+2Na"	45.978436
"625593"	230.053568	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+2Na"	45.978436
"1128370"	92.010668	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2Na"	45.978436
"1411531"	61.676204	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H+2Na"	46.985712
"1442917"	185.055646	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H+HCOOH"	47.012746
"232977"	166.06514	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+3H2O+2H"	56.04448
"1518118"	199.10769	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+IsoProp+H"	61.06479
"414156"	169.019088	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+Na+K"	61.952376
"781715"	238.040538	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+Na+K"	61.952376
"1671483"	99.997638	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Na+K"	61.952376
"260188"	340.101568	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+ACN+Na"	64.015768
"1237999"	202.058668	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+ACN+Na"	64.015768
"1720692"	202.082193	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+NH4+HCOOH"	64.039293
"1184951"	69.003518	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+3Na"	68.967654
"1655938"	207.037588	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Na+HCOOH"	68.994688
"170829"	353.00484	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+2K-H"	76.91904
"608930"	491.04774	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+2K-H"	76.91904
"1099525"	214.96194	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2K-H"	76.91904
"157070"	177.006058	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"2M+2K"	77.926316
"596386"	246.027508	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"3M+2K"	77.926316
"1078707"	107.984608	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2K"	77.926316
"1107541"	216.976492	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2K+H"	78.933592
"1348302"	217.064107	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+DMSO+H"	79.021207
"1020724"	221.103276	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2ACN+H"	83.060376
"1537511"	222.096908	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+IsoProp+Na+H"	84.054008
"1005180"	111.055276	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+2ACN+2H"	84.067652
"1602234"	223.011528	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+K+HCOOH"	84.968628
"1428504"	253.043038	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+H+CF3COOH"	115.000138
"1162316"	131.568551	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+3ACN+2H"	125.094202
"1711253"	270.069585	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+NH4+CF3COOH"	132.026685
"1645811"	275.02498	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+Na+CF3COOH"	136.98208
"1573810"	290.99892	"C00785"	"Urocanate;Urocanic acid"	"C6H6N2O2"	"138.0429"	"M+K+CF3COOH"	152.95602
"801904"	286.0841	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M"	0
"987552"	267.06571	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"76529"	189.715457333333	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"517181"	285.076824	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"894620"	94.3540906666667	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"14533"	285.076824	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"454574"	428.118874	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"831893"	142.034774	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"91271"	571.160924	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"533390"	857.245024	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"910344"	285.076824	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"61194"	588.187471	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"498199"	874.271571	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"877458"	302.103371	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"42079"	593.142866	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"484191"	879.226966	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"859076"	307.058766	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1630431"	307.058766	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"101857"	303.065163	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"542513"	446.107213	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"931653"	160.023113	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"269478"	607.137602	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"662628"	893.221702	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1274425"	321.053502	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"17345"	609.116806	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"456664"	895.200906	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"834222"	323.032706	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1556250"	323.032706	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"943523"	331.082294	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"361776"	617.166401	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"346145"	631.182051	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1493856"	345.097951	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"964803"	353.064251	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"115901"	321.053502	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"556553"	464.095552	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1022071"	178.011452	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1243105"	365.002985	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1305553"	367.058972	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1320495"	389.040929	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"911389"	399.069686	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1293738"	435.046364	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1369712"	251.071424	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1386116"	269.0814	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"286896"	573.175476	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"682601"	859.259576	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1358952"	287.091376	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"130746"	287.091376	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"569578"	430.133426	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1040201"	144.049326	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"206276"	191.730009333333	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"648021"	287.091376	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1173444"	96.3686426666667	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"433435"	590.202023	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"794432"	876.286123	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1694056"	304.117923	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"339053"	295.6046495	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"733664"	438.6466995	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1490767"	152.5625995	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"406167"	595.157418	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"767039"	881.241518	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1615258"	309.073318	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"326387"	298.082347	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"717715"	441.124397	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1472270"	155.040297	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1065878"	103.695956666667	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1265367"	319.117586	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"387222"	611.131358	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"749312"	897.215458	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1546988"	325.047258	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"308537"	306.069317	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"697676"	449.111367	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1447483"	163.027267	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"236819"	614.202026	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1214995"	328.117926	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1201067"	164.562601	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"199057"	617.13936	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"637887"	903.22346	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1139574"	331.05526	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"183589"	309.073318	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"622786"	452.115368	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1124471"	166.031268	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1410182"	111.023270666667	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1440841"	333.096846	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"232357"	314.10634	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1513489"	347.14889	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"414266"	317.060288	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"776357"	460.102338	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1668312"	174.018238	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"259204"	636.183968	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1228268"	350.099868	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1714969"	350.123393	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1180322"	118.350584666667	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1651307"	355.078788	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"170818"	649.08724	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"605758"	935.17134	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1099272"	363.00314	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"157051"	325.047258	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"594306"	468.089308	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1075537"	182.005208	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1108744"	365.017692	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1349507"	365.105307	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1019131"	369.144476	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1533975"	370.138108	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"1004680"	185.075876	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1602466"	371.052728	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1427520"	401.084238	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1161575"	205.589151	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1711363"	418.110785	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1645921"	423.06618	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1572096"	439.04012	"C00786"	"(-)-Vestitone;Vestitone"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"815226"	183.0895	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M"	0
"988764"	164.07111	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-H2O-H"	-19.01839
"73719"	121.052390666667	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M-3H"	-3.021828
"513279"	182.082224	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M-3H"	-3.021828
"895093"	60.0225573333333	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-3H"	-3.021828
"14031"	182.082224	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M-2H"	-2.014552
"455294"	273.626974	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M-2H"	-2.014552
"831031"	90.537474	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-2H"	-2.014552
"91389"	365.171724	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M-H"	-1.007276
"530948"	548.261224	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M-H"	-1.007276
"907657"	182.082224	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-H"	-1.007276
"57661"	382.198271	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M-2H+NH4"	16.019271
"498311"	565.287771	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M-2H+NH4"	16.019271
"872830"	199.108771	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-2H+NH4"	16.019271
"38544"	387.153666	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M-2H+Na"	20.974666
"477011"	570.243166	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M-2H+Na"	20.974666
"853720"	204.064166	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-2H+Na"	20.974666
"1623254"	204.064166	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Na-2H"	20.974666
"99782"	200.070563	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M-H+Cl"	33.962126
"540436"	291.615313	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M-H+Cl"	33.962126
"927875"	108.525813	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-H+Cl"	33.962126
"269588"	401.148402	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+Cl"	34.969402
"662132"	584.237902	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+Cl"	34.969402
"1275869"	218.058902	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Cl"	34.969402
"17333"	403.127606	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M-2H+K"	36.948606
"458110"	586.217106	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M-2H+K"	36.948606
"834211"	220.038106	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-2H+K"	36.948606
"1556605"	220.038106	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+K-2H"	36.948606
"943763"	228.087694	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-H+HCOOH"	44.998194
"365018"	411.177201	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+HCOOH-H"	44.998201
"357288"	425.192851	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+Hac-H"	59.013851
"1503938"	242.103351	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Hac-H"	59.013851
"967106"	250.069651	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-H+NaCOOH"	66.980151
"117107"	218.058902	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+2Cl"	69.938804
"551927"	309.603652	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+2Cl"	69.938804
"1023275"	126.514152	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2Cl"	69.938804
"1244314"	262.008385	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Br"	78.918885
"1309679"	264.064372	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Cl+HCOOH"	80.974872
"1330461"	286.046329	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Cl+NaCOOH"	102.956829
"923341"	296.075086	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M-H+CF3COOH"	112.985586
"1298227"	332.051764	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Cl+CF3COOH"	148.962264
"1376387"	148.076824	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H-2H2O"	-35.012676
"1389510"	166.0868	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H-H2O"	-17.0027
"295033"	367.186276	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+H"	1.007276
"687088"	550.275776	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+H"	1.007276
"1355784"	184.096776	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H"	1.007276
"131952"	184.096776	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+2H"	2.014552
"571513"	275.641526	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+2H"	2.014552
"1043593"	92.552026	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2H"	2.014552
"209306"	123.066942666667	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+3H"	3.021828
"648871"	184.096776	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+3H"	3.021828
"1168090"	62.0371093333333	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+3H"	3.021828
"429175"	384.212823	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+NH4"	18.033823
"795650"	567.302323	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+NH4"	18.033823
"1691988"	201.123323	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+NH4"	18.033823
"339170"	192.6100495	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+H+NH4"	19.041099
"736695"	284.1547995	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+H+NH4"	19.041099
"1488692"	101.0652995	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H+NH4"	19.041099
"404092"	389.168218	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+Na"	22.989218
"766180"	572.257718	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+Na"	22.989218
"1613186"	206.078718	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Na"	22.989218
"322127"	195.087747	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+H+Na"	23.996494
"718922"	286.632497	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+H+Na"	23.996494
"1474928"	103.542997	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H+Na"	23.996494
"1065262"	69.3644233333333	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2H+Na"	25.00377
"1262198"	216.122986	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+CH3OH+H"	33.033486
"380772"	405.142158	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+K"	38.963158
"741037"	588.231658	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+K"	38.963158
"1548193"	222.052658	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+K"	38.963158
"304275"	203.074717	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+H+K"	39.970434
"696700"	294.619467	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+H+K"	39.970434
"1457080"	111.529967	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H+K"	39.970434
"246777"	408.212826	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+ACN+H"	42.033826
"1219490"	225.123326	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+ACN+H"	42.033826
"1202288"	113.065301	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+ACN+2H"	43.041102
"199531"	411.15016	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+2Na-H"	44.97116
"637996"	594.23966	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+2Na-H"	44.97116
"1137129"	228.06066	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2Na-H"	44.97116
"179327"	206.078718	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+2Na"	45.978436
"619981"	297.623468	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+2Na"	45.978436
"1119112"	114.533968	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2Na"	45.978436
"1404823"	76.6917373333333	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H+2Na"	46.985712
"1441676"	230.102246	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H+HCOOH"	47.012746
"231009"	211.11174	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+3H2O+2H"	56.04448
"1520163"	244.15429	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+IsoProp+H"	61.06479
"420942"	214.065688	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+Na+K"	61.952376
"779749"	305.610438	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+Na+K"	61.952376
"1668425"	122.520938	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Na+K"	61.952376
"257134"	430.194768	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+ACN+Na"	64.015768
"1232030"	247.105268	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+ACN+Na"	64.015768
"1715448"	247.128793	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+NH4+HCOOH"	64.039293
"1180803"	84.0190513333333	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+3Na"	68.967654
"1665050"	252.084188	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Na+HCOOH"	68.994688
"172029"	443.09804	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+2K-H"	76.91904
"612077"	626.18754	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+2K-H"	76.91904
"1099143"	260.00854	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2K-H"	76.91904
"156559"	222.052658	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"2M+2K"	77.926316
"596607"	313.597408	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"3M+2K"	77.926316
"1082215"	130.507908	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2K"	77.926316
"1114329"	262.023092	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2K+H"	78.933592
"1348526"	262.110707	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+DMSO+H"	79.021207
"1019243"	266.149876	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2ACN+H"	83.060376
"1532998"	267.143508	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+IsoProp+Na+H"	84.054008
"998352"	133.578576	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+2ACN+2H"	84.067652
"1595043"	268.058128	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+K+HCOOH"	84.968628
"1420704"	298.089638	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+H+CF3COOH"	115.000138
"1157551"	154.091851	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+3ACN+2H"	125.094202
"1701634"	315.116185	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+NH4+CF3COOH"	132.026685
"1639471"	320.07158	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+Na+CF3COOH"	136.98208
"1571479"	336.04552	"C00788"	"L-Adrenaline;(R)-(-)-Adrenaline;(R)-(-)-Epinephrine;(R)-(-)-Epirenamine;(R)-(-)-Adnephrine;4-(1R)-1-Hydroxy-2-(methylamino)ethyl-12-benzenediol"	"C9H13NO3"	"183.0895"	"M+K+CF3COOH"	152.95602
"815333"	537.0761	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M"	0
"987411"	518.05771	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-H2O-H"	-19.01839
"73830"	357.043457333333	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M-3H"	-3.021828
"513390"	536.068824	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M-3H"	-3.021828
"893381"	178.018090666667	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-3H"	-3.021828
"11955"	536.068824	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M-2H"	-2.014552
"454554"	804.606874	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M-2H"	-2.014552
"829320"	267.530774	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-2H"	-2.014552
"92472"	1073.144924	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M-H"	-1.007276
"532155"	1610.221024	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M-H"	-1.007276
"907767"	536.068824	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-H"	-1.007276
"59959"	1090.171471	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M-2H+NH4"	16.019271
"498421"	1627.247571	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M-2H+NH4"	16.019271
"876219"	553.095371	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-2H+NH4"	16.019271
"40839"	1095.126866	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M-2H+Na"	20.974666
"479307"	1632.202966	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M-2H+Na"	20.974666
"859298"	558.050766	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-2H+Na"	20.974666
"1629924"	558.050766	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Na-2H"	20.974666
"102079"	554.057163	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M-H+Cl"	33.962126
"539452"	822.595213	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M-H+Cl"	33.962126
"932238"	285.519113	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-H+Cl"	33.962126
"274075"	1109.121602	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+Cl"	34.969402
"663215"	1646.197702	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+Cl"	34.969402
"1276710"	572.045502	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Cl"	34.969402
"17927"	1111.100806	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M-2H+K"	36.948606
"457490"	1648.176906	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M-2H+K"	36.948606
"834322"	574.024706	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-2H+K"	36.948606
"1556835"	574.024706	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+K-2H"	36.948606
"943750"	582.074294	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-H+HCOOH"	44.998194
"366222"	1119.150401	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+HCOOH-H"	44.998201
"358491"	1133.166051	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+Hac-H"	59.013851
"1505142"	596.089951	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Hac-H"	59.013851
"966123"	604.056251	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-H+NaCOOH"	66.980151
"114301"	572.045502	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+2Cl"	69.938804
"552402"	840.583552	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+2Cl"	69.938804
"1024479"	303.507452	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2Cl"	69.938804
"1244425"	615.994985	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Br"	78.918885
"1309789"	618.050972	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Cl+HCOOH"	80.974872
"1330207"	640.032929	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Cl+NaCOOH"	102.956829
"923087"	650.061686	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M-H+CF3COOH"	112.985586
"1301254"	686.038364	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Cl+CF3COOH"	148.962264
"1377591"	502.063424	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H-2H2O"	-35.012676
"1391807"	520.0734	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H-H2O"	-17.0027
"290400"	1075.159476	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+H"	1.007276
"687194"	1612.235576	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+H"	1.007276
"1354067"	538.083376	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H"	1.007276
"127076"	538.083376	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+2H"	2.014552
"567608"	806.621426	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+2H"	2.014552
"1039323"	269.545326	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2H"	2.014552
"206494"	359.058009333333	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+3H"	3.021828
"651167"	538.083376	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+3H"	3.021828
"1167107"	180.032642666667	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+3H"	3.021828
"431473"	1092.186023	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+NH4"	18.033823
"798311"	1629.262123	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+NH4"	18.033823
"1693918"	555.109923	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+NH4"	18.033823
"340374"	546.5966495	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+H+NH4"	19.041099
"736077"	815.1346995	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+H+NH4"	19.041099
"1488804"	278.0585995	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H+NH4"	19.041099
"405296"	1097.141418	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+Na"	22.989218
"767385"	1634.217518	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+Na"	22.989218
"1614390"	560.065318	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Na"	22.989218
"326611"	549.074347	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+H+Na"	23.996494
"720126"	817.612397	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+H+Na"	23.996494
"1473944"	280.536297	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H+Na"	23.996494
"1067558"	187.359956666667	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2H+Na"	25.00377
"1263402"	570.109586	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+CH3OH+H"	33.033486
"381976"	1113.115358	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+K"	38.963158
"744064"	1650.191458	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+K"	38.963158
"1550490"	576.039258	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+K"	38.963158
"304385"	557.061317	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+H+K"	39.970434
"700090"	825.599367	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+H+K"	39.970434
"1457190"	288.523267	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H+K"	39.970434
"249803"	1116.186026	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+ACN+H"	42.033826
"1219602"	579.109926	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+ACN+H"	42.033826
"1203492"	290.058601	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+ACN+2H"	43.041102
"199642"	1119.12336	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+2Na-H"	44.97116
"637016"	1656.19946	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+2Na-H"	44.97116
"1135053"	582.04726	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2Na-H"	44.97116
"175062"	560.065318	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+2Na"	45.978436
"616810"	828.603368	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+2Na"	45.978436
"1118129"	291.527268	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2Na"	45.978436
"1407120"	194.687270666667	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H+2Na"	46.985712
"1439235"	584.088846	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H+HCOOH"	47.012746
"228931"	565.09834	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+3H2O+2H"	56.04448
"1516992"	598.14089	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+IsoProp+H"	61.06479
"415585"	568.052288	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+Na+K"	61.952376
"783139"	836.590338	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+Na+K"	61.952376
"1672907"	299.514238	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Na+K"	61.952376
"257241"	1138.167968	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+ACN+Na"	64.015768
"1229952"	601.091868	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+ACN+Na"	64.015768
"1715556"	601.115393	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+NH4+HCOOH"	64.039293
"1184192"	202.014584666667	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+3Na"	68.967654
"1665237"	606.070788	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Na+HCOOH"	68.994688
"172261"	1151.07124	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+2K-H"	76.91904
"610359"	1688.14734	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+2K-H"	76.91904
"1098888"	613.99514	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2K-H"	76.91904
"156552"	576.039258	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"2M+2K"	77.926316
"594526"	844.577308	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"3M+2K"	77.926316
"1083824"	307.501208	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2K"	77.926316
"1113952"	616.009692	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2K+H"	78.933592
"1348636"	616.097307	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+DMSO+H"	79.021207
"1014977"	620.136476	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2ACN+H"	83.060376
"1530921"	621.130108	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+IsoProp+Na+H"	84.054008
"1003811"	310.571876	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+2ACN+2H"	84.067652
"1601348"	622.044728	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+K+HCOOH"	84.968628
"1424094"	652.076238	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+H+CF3COOH"	115.000138
"1160943"	331.085151	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+3ACN+2H"	125.094202
"1708304"	669.102785	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+NH4+CF3COOH"	132.026685
"1642862"	674.05818	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+Na+CF3COOH"	136.98208
"1580702"	690.03212	"C00789"	"CDP-ribitol;CDP-L-ribitol;CDP 5-ester with D-ribitol"	"C14H25N3O15P2"	"537.0761"	"M+K+CF3COOH"	152.95602
"814350"	113.0589	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M"	0
"987885"	94.04051	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-H2O-H"	-19.01839
"78407"	74.365324	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M-3H"	-3.021828
"517513"	112.051624	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M-3H"	-3.021828
"895407"	36.679024	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-3H"	-3.021828
"15398"	112.051624	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M-2H"	-2.014552
"453701"	168.581074	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M-2H"	-2.014552
"830530"	55.522174	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-2H"	-2.014552
"92702"	225.110524	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M-H"	-1.007276
"532264"	338.169424	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M-H"	-1.007276
"909944"	112.051624	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-H"	-1.007276
"60798"	242.137071	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M-2H+NH4"	16.019271
"498536"	355.195971	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M-2H+NH4"	16.019271
"878522"	129.078171	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-2H+NH4"	16.019271
"45207"	247.092466	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M-2H+Na"	20.974666
"481611"	360.151366	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M-2H+Na"	20.974666
"858317"	134.033566	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-2H+Na"	20.974666
"1626756"	134.033566	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Na-2H"	20.974666
"100006"	130.039963	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M-H+Cl"	33.962126
"540658"	186.569413	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M-H+Cl"	33.962126
"931257"	73.510513	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-H+Cl"	33.962126
"270541"	261.087202	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+Cl"	34.969402
"661017"	374.146102	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+Cl"	34.969402
"1274271"	148.028302	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Cl"	34.969402
"17433"	263.066406	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M-2H+K"	36.948606
"456628"	376.125306	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M-2H+K"	36.948606
"833339"	150.007506	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-2H+K"	36.948606
"1555976"	150.007506	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+K-2H"	36.948606
"944107"	158.057094	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-H+HCOOH"	44.998194
"365968"	271.116001	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+HCOOH-H"	44.998201
"358238"	285.131651	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+Hac-H"	59.013851
"1507608"	172.072751	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Hac-H"	59.013851
"970606"	180.039051	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-H+NaCOOH"	66.980151
"119514"	148.028302	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+2Cl"	69.938804
"552876"	204.557752	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+2Cl"	69.938804
"1025686"	91.498852	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2Cl"	69.938804
"1247451"	191.977785	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Br"	78.918885
"1310993"	194.033772	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Cl+HCOOH"	80.974872
"1333597"	216.015729	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Cl+NaCOOH"	102.956829
"922469"	226.044486	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M-H+CF3COOH"	112.985586
"1301731"	262.021164	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Cl+CF3COOH"	148.962264
"1382081"	78.046224	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H-2H2O"	-35.012676
"1397998"	96.0562	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H-H2O"	-17.0027
"296346"	227.125076	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+H"	1.007276
"682934"	340.183976	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+H"	1.007276
"1359283"	114.066176	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H"	1.007276
"135453"	114.066176	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+2H"	2.014552
"576838"	170.595626	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+2H"	2.014552
"1045999"	57.536726	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2H"	2.014552
"214993"	76.379876	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+3H"	3.021828
"653464"	114.066176	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+3H"	3.021828
"1171591"	38.693576	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+3H"	3.021828
"428304"	244.151623	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+NH4"	18.033823
"798056"	357.210523	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+NH4"	18.033823
"1693299"	131.092723	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+NH4"	18.033823
"341578"	122.5794495	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+H+NH4"	19.041099
"736186"	179.1088995	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+H+NH4"	19.041099
"1486728"	66.0499995	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H+NH4"	19.041099
"404313"	249.107018	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+Na"	22.989218
"767496"	362.165918	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+Na"	22.989218
"1612314"	136.048118	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Na"	22.989218
"324534"	125.057147	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+H+Na"	23.996494
"719143"	181.586597	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+H+Na"	23.996494
"1470776"	68.527697	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H+Na"	23.996494
"1065117"	46.02089	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2H+Na"	25.00377
"1264606"	146.092386	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+CH3OH+H"	33.033486
"383180"	265.080958	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+K"	38.963158
"747454"	378.139858	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+K"	38.963158
"1548414"	152.022058	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+K"	38.963158
"309963"	133.044117	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+H+K"	39.970434
"702387"	189.573567	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+H+K"	39.970434
"1457300"	76.514667	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H+K"	39.970434
"249550"	268.151626	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+ACN+H"	42.033826
"1220811"	155.092726	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+ACN+H"	42.033826
"1203602"	78.050001	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+ACN+2H"	43.041102
"198659"	271.08896	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+2Na-H"	44.97116
"640405"	384.14786	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+2Na-H"	44.97116
"1136258"	158.03006	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2Na-H"	44.97116
"180637"	136.048118	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+2Na"	45.978436
"622385"	192.577568	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+2Na"	45.978436
"1119330"	79.518668	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2Na"	45.978436
"1405043"	53.348204	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H+2Na"	46.985712
"1436066"	160.071646	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H+HCOOH"	47.012746
"230135"	141.08114	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+3H2O+2H"	56.04448
"1520382"	174.12369	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+IsoProp+H"	61.06479
"414603"	144.035088	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+Na+K"	61.952376
"776691"	200.564538	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+Na+K"	61.952376
"1671928"	87.505638	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Na+K"	61.952376
"259544"	290.133568	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+ACN+Na"	64.015768
"1231160"	177.074668	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+ACN+Na"	64.015768
"1720042"	177.098193	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+NH4+HCOOH"	64.039293
"1185401"	60.675518	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+3Na"	68.967654
"1665102"	182.053588	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Na+HCOOH"	68.994688
"170910"	303.03684	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+2K-H"	76.91904
"611327"	416.09574	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+2K-H"	76.91904
"1098261"	189.97794	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2K-H"	76.91904
"156050"	152.022058	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"2M+2K"	77.926316
"596583"	208.551508	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"3M+2K"	77.926316
"1083164"	95.492608	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2K"	77.926316
"1115037"	191.992492	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2K+H"	78.933592
"1347653"	192.080107	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+DMSO+H"	79.021207
"1018370"	196.119276	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2ACN+H"	83.060376
"1538687"	197.112908	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+IsoProp+Na+H"	84.054008
"1004647"	98.563276	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+2ACN+2H"	84.067652
"1599637"	198.027528	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+K+HCOOH"	84.968628
"1426391"	228.059038	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+H+CF3COOH"	115.000138
"1151212"	119.076551	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+3ACN+2H"	125.094202
"1708415"	245.085585	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+NH4+CF3COOH"	132.026685
"1642971"	250.04098	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+Na+CF3COOH"	136.98208
"1580812"	266.01492	"C00791"	"Creatinine;1-Methylglycocyamidine"	"C4H7N3O"	"113.0589"	"M+K+CF3COOH"	152.95602
"804616"	174.1117	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M"	0
"989811"	155.09331	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H2O-H"	-19.01839
"78334"	115.067190666667	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-3H"	-3.021828
"517258"	173.104424	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-3H"	-3.021828
"895588"	57.0299573333333	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-3H"	-3.021828
"13270"	173.104424	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H"	-2.014552
"453923"	260.160274	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H"	-2.014552
"829913"	86.048574	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H"	-2.014552
"90270"	347.216124	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-H"	-1.007276
"532380"	521.327824	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-H"	-1.007276
"911148"	173.104424	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H"	-1.007276
"61637"	364.242671	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H+NH4"	16.019271
"499737"	538.354371	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H+NH4"	16.019271
"876445"	190.130971	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H+NH4"	16.019271
"44343"	369.198066	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H+Na"	20.974666
"480626"	543.309766	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H+Na"	20.974666
"855147"	195.086366	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H+Na"	20.974666
"1624680"	195.086366	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na-2H"	20.974666
"100116"	191.092763	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-H+Cl"	33.962126
"538583"	278.148613	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-H+Cl"	33.962126
"930273"	104.036913	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+Cl"	33.962126
"268100"	383.192802	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Cl"	34.969402
"661981"	557.304502	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+Cl"	34.969402
"1272960"	209.081102	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl"	34.969402
"16085"	385.172006	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H+K"	36.948606
"455855"	559.283706	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H+K"	36.948606
"832957"	211.060306	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H+K"	36.948606
"1561074"	211.060306	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K-2H"	36.948606
"952238"	219.109894	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+HCOOH"	44.998194
"365713"	393.221601	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+HCOOH-H"	44.998201
"357255"	407.237251	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Hac-H"	59.013851
"1507192"	233.125551	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Hac-H"	59.013851
"970716"	241.091851	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+NaCOOH"	66.980151
"119625"	209.081102	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2Cl"	69.938804
"552621"	296.136952	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2Cl"	69.938804
"1025067"	122.025252	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2Cl"	69.938804
"1251939"	253.030585	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Br"	78.918885
"1310376"	255.086572	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl+HCOOH"	80.974872
"1326415"	277.068529	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl+NaCOOH"	102.956829
"920756"	287.097286	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+CF3COOH"	112.985586
"1301475"	323.073964	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl+CF3COOH"	148.962264
"1381825"	139.099024	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H-2H2O"	-35.012676
"1394214"	157.109	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H-H2O"	-17.0027
"295727"	349.230676	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H"	1.007276
"687784"	523.342376	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H"	1.007276
"1359393"	175.118976	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H"	1.007276
"135563"	175.118976	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2H"	2.014552
"576948"	262.174826	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2H"	2.014552
"1046109"	88.063126	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2H"	2.014552
"214010"	117.081742666667	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+3H"	3.021828
"653574"	175.118976	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+3H"	3.021828
"1174254"	59.0445093333333	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+3H"	3.021828
"437172"	366.257223	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+NH4"	18.033823
"798166"	540.368923	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+NH4"	18.033823
"1691223"	192.145523	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+NH4"	18.033823
"340595"	183.6322495	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H+NH4"	19.041099
"731925"	270.6880995	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H+NH4"	19.041099
"1490119"	96.5763995	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+NH4"	19.041099
"407583"	371.212618	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Na"	22.989218
"767608"	545.324318	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+Na"	22.989218
"1611330"	197.100918	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na"	22.989218
"324648"	186.109947	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H+Na"	23.996494
"721440"	273.165797	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H+Na"	23.996494
"1475262"	99.054097	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+Na"	23.996494
"1064134"	66.3718233333333	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2H+Na"	25.00377
"1269093"	207.145186	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+CH3OH+H"	33.033486
"389853"	387.186558	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+K"	38.963158
"753401"	561.298258	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+K"	38.963158
"1554725"	213.074858	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K"	38.963158
"312994"	194.096917	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H+K"	39.970434
"706721"	281.152767	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H+K"	39.970434
"1460947"	107.041067	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+K"	39.970434
"250841"	390.257226	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+ACN+H"	42.033826
"1220923"	216.145526	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+ACN+H"	42.033826
"1201525"	108.576401	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+ACN+2H"	43.041102
"196582"	393.19456	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2Na-H"	44.97116
"641611"	567.30626	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2Na-H"	44.97116
"1139649"	219.08286	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2Na-H"	44.97116
"181844"	197.100918	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2Na"	45.978436
"624682"	284.156768	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2Na"	45.978436
"1123815"	110.045068	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2Na"	45.978436
"1403331"	73.6991373333333	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+2Na"	46.985712
"1433991"	221.124446	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+HCOOH"	47.012746
"229153"	202.13394	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+3H2O+2H"	56.04448
"1522683"	235.17649	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+IsoProp+H"	61.06479
"416903"	205.087888	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Na+K"	61.952376
"773523"	292.143738	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+Na+K"	61.952376
"1674228"	118.032038	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na+K"	61.952376
"262935"	412.239168	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+ACN+Na"	64.015768
"1236738"	238.127468	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+ACN+Na"	64.015768
"1726718"	238.150993	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+NH4+HCOOH"	64.039293
"1185511"	81.0264513333333	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+3Na"	68.967654
"1665540"	243.106388	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na+HCOOH"	68.994688
"171021"	425.14244	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2K-H"	76.91904
"610224"	599.25414	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2K-H"	76.91904
"1099554"	251.03074	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2K-H"	76.91904
"156898"	213.074858	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2K"	77.926316
"596451"	300.130708	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2K"	77.926316
"1081822"	126.019008	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2K"	77.926316
"1114907"	253.045292	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2K+H"	78.933592
"1346670"	253.132907	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+DMSO+H"	79.021207
"1020915"	257.172076	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2ACN+H"	83.060376
"1535515"	258.165708	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+IsoProp+Na+H"	84.054008
"1003787"	129.089676	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2ACN+2H"	84.067652
"1599748"	259.080328	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K+HCOOH"	84.968628
"1424315"	289.111838	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+CF3COOH"	115.000138
"1154602"	149.602951	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+3ACN+2H"	125.094202
"1708526"	306.138385	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+NH4+CF3COOH"	132.026685
"1639804"	311.09378	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na+CF3COOH"	136.98208
"1580922"	327.06772	"C00792"	"D-Arginine;D-2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K+CF3COOH"	152.95602
"802539"	121.0197	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M"	0
"986646"	102.00131	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H2O-H"	-19.01839
"71972"	79.672524	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-3H"	-3.021828
"513719"	120.012424	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-3H"	-3.021828
"893346"	39.332624	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-3H"	-3.021828
"13138"	120.012424	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H"	-2.014552
"451844"	180.522274	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H"	-2.014552
"831965"	59.502574	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H"	-2.014552
"92809"	241.032124	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-H"	-1.007276
"532124"	362.051824	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-H"	-1.007276
"910532"	120.012424	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H"	-1.007276
"59564"	258.058671	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+NH4"	16.019271
"501795"	379.078371	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+NH4"	16.019271
"876556"	137.038971	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+NH4"	16.019271
"40081"	263.014066	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+Na"	20.974666
"482924"	384.033766	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+Na"	20.974666
"860724"	141.994366	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+Na"	20.974666
"1625884"	141.994366	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na-2H"	20.974666
"101319"	138.000763	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-H+Cl"	33.962126
"540878"	198.510613	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-H+Cl"	33.962126
"931114"	77.490913	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+Cl"	33.962126
"267682"	277.008802	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Cl"	34.969402
"662092"	398.028502	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Cl"	34.969402
"1275588"	155.989102	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl"	34.969402
"16234"	278.988006	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M-2H+K"	36.948606
"459893"	400.007706	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M-2H+K"	36.948606
"832838"	157.968306	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-2H+K"	36.948606
"1558632"	157.968306	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K-2H"	36.948606
"949068"	166.017894	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+HCOOH"	44.998194
"363636"	287.037601	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+HCOOH-H"	44.998201
"356635"	301.053251	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Hac-H"	59.013851
"1506207"	180.033551	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Hac-H"	59.013851
"973013"	187.999851	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+NaCOOH"	66.980151
"116456"	155.989102	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Cl"	69.938804
"557108"	216.498952	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Cl"	69.938804
"1025177"	95.479252	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Cl"	69.938804
"1253143"	199.938585	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Br"	78.918885
"1310486"	201.994572	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+HCOOH"	80.974872
"1326527"	223.976529	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+NaCOOH"	102.956829
"919773"	234.005286	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M-H+CF3COOH"	112.985586
"1302315"	269.981964	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Cl+CF3COOH"	148.962264
"1380842"	86.007024	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H-2H2O"	-35.012676
"1395053"	104.017	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H-H2O"	-17.0027
"291826"	243.046676	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H"	1.007276
"686435"	364.066376	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H"	1.007276
"1359504"	122.026976	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H"	1.007276
"134580"	122.026976	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2H"	2.014552
"576326"	182.536826	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2H"	2.014552
"1042209"	61.517126	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2H"	2.014552
"209746"	81.687076	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+3H"	3.021828
"655870"	122.026976	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+3H"	3.021828
"1172903"	41.347176	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3H"	3.021828
"438740"	260.073223	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+NH4"	18.033823
"799613"	381.092923	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+NH4"	18.033823
"1696682"	139.053523	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4"	18.033823
"344351"	130.5402495	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+NH4"	19.041099
"738400"	191.0500995	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+NH4"	19.041099
"1492174"	70.0303995	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+NH4"	19.041099
"408182"	265.028618	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Na"	22.989218
"769302"	386.048318	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Na"	22.989218
"1616788"	144.008918	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na"	22.989218
"329499"	133.017947	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+Na"	23.996494
"722540"	193.527797	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+Na"	23.996494
"1476882"	72.508097	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+Na"	23.996494
"1068343"	48.67449	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2H+Na"	25.00377
"1269932"	154.053186	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+CH3OH+H"	33.033486
"389963"	281.002558	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+K"	38.963158
"753878"	402.022258	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+K"	38.963158
"1554113"	159.982858	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K"	38.963158
"313955"	141.004917	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+H+K"	39.970434
"706138"	201.514767	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+H+K"	39.970434
"1460929"	80.495067	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+K"	39.970434
"250382"	284.073226	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+ACN+H"	42.033826
"1222130"	163.053526	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+H"	42.033826
"1207466"	82.030401	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+2H"	43.041102
"200336"	287.01056	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Na-H"	44.97116
"642089"	408.03026	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Na-H"	44.97116
"1144862"	165.99086	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Na-H"	44.97116
"184507"	144.008918	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2Na"	45.978436
"627348"	204.518768	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2Na"	45.978436
"1128302"	83.499068	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2Na"	45.978436
"1407453"	56.001804	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+2Na"	46.985712
"1440663"	168.032446	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+HCOOH"	47.012746
"233639"	149.04194	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+3H2O+2H"	56.04448
"1524135"	182.08449	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+IsoProp+H"	61.06479
"422846"	151.995888	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+Na+K"	61.952376
"783841"	212.505738	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+Na+K"	61.952376
"1676525"	91.486038	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+K"	61.952376
"264869"	306.055168	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+ACN+Na"	64.015768
"1239766"	185.035468	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+ACN+Na"	64.015768
"1726830"	185.058993	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4+HCOOH"	64.039293
"1188901"	63.329118	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3Na"	68.967654
"1665373"	190.014388	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+HCOOH"	68.994688
"172675"	318.95844	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2K-H"	76.91904
"612440"	439.97814	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2K-H"	76.91904
"1099748"	197.93874	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K-H"	76.91904
"157050"	159.982858	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"2M+2K"	77.926316
"597092"	220.492708	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"3M+2K"	77.926316
"1083874"	99.473008	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K"	77.926316
"1115463"	199.953292	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2K+H"	78.933592
"1349939"	200.040907	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+DMSO+H"	79.021207
"1019449"	204.080076	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2ACN+H"	83.060376
"1539151"	205.073708	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+IsoProp+Na+H"	84.054008
"1003898"	102.543676	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+2ACN+2H"	84.067652
"1598768"	205.988328	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K+HCOOH"	84.968628
"1427706"	236.019838	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+H+CF3COOH"	115.000138
"1154713"	123.056951	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+3ACN+2H"	125.094202
"1710824"	253.046385	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+NH4+CF3COOH"	132.026685
"1643194"	258.00178	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+Na+CF3COOH"	136.98208
"1581032"	273.97572	"C00793"	"D-Cysteine;D-Amino-3-mercaptopropionic acid"	"C3H7NO2S"	"121.0197"	"M+K+CF3COOH"	152.95602
"801919"	182.079	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M"	0
"986027"	163.06061	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-H2O-H"	-19.01839
"75364"	120.378724	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M-3H"	-3.021828
"513467"	181.071724	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M-3H"	-3.021828
"895285"	59.685724	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-3H"	-3.021828
"14098"	181.071724	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M-2H"	-2.014552
"453412"	272.111224	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M-2H"	-2.014552
"828676"	90.032224	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-2H"	-2.014552
"90490"	363.150724	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M-H"	-1.007276
"530049"	545.229724	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M-H"	-1.007276
"908575"	181.071724	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-H"	-1.007276
"57850"	380.177271	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M-2H+NH4"	16.019271
"497774"	562.256271	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M-2H+NH4"	16.019271
"874480"	198.098271	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-2H+NH4"	16.019271
"42381"	385.132666	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M-2H+Na"	20.974666
"480848"	567.211666	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M-2H+Na"	20.974666
"856462"	203.053666	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-2H+Na"	20.974666
"1622713"	203.053666	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Na-2H"	20.974666
"99243"	199.060063	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M-H+Cl"	33.962126
"537709"	290.099563	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M-H+Cl"	33.962126
"927452"	108.020563	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-H+Cl"	33.962126
"271968"	399.127402	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+Cl"	34.969402
"661108"	581.206402	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+Cl"	34.969402
"1276792"	217.048402	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Cl"	34.969402
"15940"	401.106606	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M-2H+K"	36.948606
"456723"	583.185606	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M-2H+K"	36.948606
"841087"	219.027606	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-2H+K"	36.948606
"1558014"	219.027606	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+K-2H"	36.948606
"949178"	227.077194	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-H+HCOOH"	44.998194
"372500"	409.156201	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+HCOOH-H"	44.998201
"355653"	423.171851	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+Hac-H"	59.013851
"1502308"	241.092851	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Hac-H"	59.013851
"968753"	249.059151	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-H+NaCOOH"	66.980151
"112919"	217.048402	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+2Cl"	69.938804
"553573"	308.087902	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+2Cl"	69.938804
"1025288"	126.008902	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2Cl"	69.938804
"1252160"	260.997885	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Br"	78.918885
"1309867"	263.053872	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Cl+HCOOH"	80.974872
"1325178"	285.035829	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Cl+NaCOOH"	102.956829
"918789"	295.064586	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M-H+CF3COOH"	112.985586
"1300239"	331.041264	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Cl+CF3COOH"	148.962264
"1380831"	147.066324	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H-2H2O"	-35.012676
"1394435"	165.0763	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H-H2O"	-17.0027
"291936"	365.165276	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+H"	1.007276
"683265"	547.244276	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+H"	1.007276
"1355239"	183.086276	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H"	1.007276
"133597"	183.086276	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+2H"	2.014552
"572063"	274.125776	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+2H"	2.014552
"1047423"	92.046776	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2H"	2.014552
"213137"	122.393276	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+3H"	3.021828
"654887"	183.086276	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+3H"	3.021828
"1169734"	61.700276	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+3H"	3.021828
"438123"	382.191823	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+NH4"	18.033823
"799848"	564.270823	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+NH4"	18.033823
"1692902"	200.112823	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+NH4"	18.033823
"343733"	191.5995495	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+H+NH4"	19.041099
"735426"	282.6390495	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+H+NH4"	19.041099
"1491433"	100.5600495	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H+NH4"	19.041099
"407563"	387.147218	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+Na"	22.989218
"766735"	569.226218	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+Na"	22.989218
"1616777"	205.068218	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Na"	22.989218
"327057"	194.077247	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+H+Na"	23.996494
"720567"	285.116747	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+H+Na"	23.996494
"1474387"	103.037747	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H+Na"	23.996494
"1066668"	69.02759	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2H+Na"	25.00377
"1270410"	215.112486	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+CH3OH+H"	33.033486
"390804"	403.121158	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+K"	38.963158
"751070"	585.200158	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+K"	38.963158
"1554828"	221.042158	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+K"	38.963158
"313578"	202.064217	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+H+K"	39.970434
"704909"	293.103717	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+H+K"	39.970434
"1459823"	111.024717	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H+K"	39.970434
"248061"	406.191826	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+ACN+H"	42.033826
"1222604"	224.112826	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+ACN+H"	42.033826
"1206848"	112.560051	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+ACN+2H"	43.041102
"201541"	409.12916	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+2Na-H"	44.97116
"642196"	591.20816	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+2Na-H"	44.97116
"1144608"	227.05016	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2Na-H"	44.97116
"186439"	205.068218	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+2Na"	45.978436
"625272"	296.107718	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+2Na"	45.978436
"1121853"	114.028718	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2Na"	45.978436
"1404283"	76.354904	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H+2Na"	46.985712
"1437494"	229.091746	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H+HCOOH"	47.012746
"232656"	210.10124	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+3H2O+2H"	56.04448
"1522909"	243.14379	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+IsoProp+H"	61.06479
"422591"	213.055188	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+Na+K"	61.952376
"783586"	304.094688	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+Na+K"	61.952376
"1679917"	122.015688	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Na+K"	61.952376
"260970"	428.173768	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+ACN+Na"	64.015768
"1239147"	246.094768	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+ACN+Na"	64.015768
"1724753"	246.118293	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+NH4+HCOOH"	64.039293
"1189011"	83.682218	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+3Na"	68.967654
"1664385"	251.073688	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Na+HCOOH"	68.994688
"171733"	441.07704	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+2K-H"	76.91904
"611536"	623.15604	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+2K-H"	76.91904
"1099729"	258.99804	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2K-H"	76.91904
"156022"	221.042158	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"2M+2K"	77.926316
"594249"	312.081658	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"3M+2K"	77.926316
"1081677"	130.002658	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2K"	77.926316
"1112942"	261.012592	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2K+H"	78.933592
"1350171"	261.100207	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+DMSO+H"	79.021207
"1018586"	265.139376	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2ACN+H"	83.060376
"1535736"	266.133008	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+IsoProp+Na+H"	84.054008
"1002917"	133.073326	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+2ACN+2H"	84.067652
"1599968"	267.047628	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+K+HCOOH"	84.968628
"1427452"	297.079138	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+H+CF3COOH"	115.000138
"1158103"	153.586601	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+3ACN+2H"	125.094202
"1710572"	314.105685	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+NH4+CF3COOH"	132.026685
"1647677"	319.06108	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+Na+CF3COOH"	136.98208
"1577859"	335.03502	"C00794"	"D-Sorbitol;D-Glucitol;L-Gulitol;Sorbitol"	"C6H14O6"	"182.079"	"M+K+CF3COOH"	152.95602
"802394"	180.0634	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M"	0
"983948"	161.04501	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"78270"	119.034990666667	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"516862"	179.056124	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"892839"	59.0138573333333	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"13600"	179.056124	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"452064"	269.087824	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"830851"	89.024424	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"91571"	359.119524	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"531253"	539.182924	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"907962"	179.056124	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"59059"	376.146071	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"500438"	556.209471	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877752"	196.082671	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"44315"	381.101466	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"480957"	561.164866	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"855478"	201.038066	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1625012"	201.038066	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"98260"	197.044463	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"536725"	287.076163	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"930240"	107.012763	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"272078"	395.096202	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"660851"	575.159602	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1276902"	215.032802	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"16050"	397.075406	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"457318"	577.138806	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"841197"	217.012006	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1558124"	217.012006	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"949288"	225.061594	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"374067"	405.125001	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"356856"	419.140651	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1503511"	239.077251	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"967770"	247.043551	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"116310"	215.032802	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"555142"	305.064502	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1028318"	125.001102	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1251177"	258.982285	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1310345"	261.038272	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1330029"	283.020229	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"926560"	293.048986	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1301442"	329.025664	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1381062"	145.050724	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1394546"	163.0607	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"292046"	361.134076	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"683011"	541.197476	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1357903"	181.070676	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"131157"	181.070676	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"572174"	271.102376	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1046806"	91.038976	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"209967"	121.049542666667	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"648436"	181.070676	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1164376"	61.0284093333333	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"439458"	378.160623	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"799961"	558.224023	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1694834"	198.097223	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"343114"	189.5839495	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"737727"	279.6156495	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1488263"	99.5522495	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"406941"	383.116018	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"767942"	563.179418	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1617011"	203.052618	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"328993"	192.061647	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"718495"	282.093347	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1474502"	102.029947	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1068238"	68.3557233333333	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1270518"	213.096886	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"391849"	399.089958	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"753247"	579.153358	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1554206"	219.026558	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"310410"	200.048617	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"702833"	290.080317	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1457747"	110.016917	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"249266"	402.160626	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1223809"	222.097226	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1205136"	111.552251	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"200559"	405.09796	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"642673"	585.16136	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1145450"	225.03456	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"187039"	203.052618	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"626112"	293.084318	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1125244"	113.020918	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410956"	75.6830373333333	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1444165"	227.076146	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"235565"	208.08564	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1523955"	241.12819	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"424000"	211.039588	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"783697"	301.071288	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1681166"	121.007888	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265454"	424.142568	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1239257"	244.079168	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1725956"	244.102693	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1189121"	83.0103513333333	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1664010"	249.058088	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"170268"	437.04584	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"610557"	617.10924	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1098104"	256.98244	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"155285"	219.026558	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"593993"	309.058258	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1080697"	128.994858	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1110988"	258.996992	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1348463"	259.084607	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1018457"	263.123776	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1535123"	264.117408	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1001207"	132.065526	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1601176"	265.032028	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1428661"	295.063538	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1161132"	152.578801	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1711776"	312.090085	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1647787"	317.04548	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1577969"	333.01942	"C00795"	"D-Tagatose;lyxo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"802869"	336.0634	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M"	0
"985152"	317.04501	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-H2O-H"	-19.01839
"71206"	223.034990666667	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M-3H"	-3.021828
"512957"	335.056124	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M-3H"	-3.021828
"894769"	111.013857333333	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-3H"	-3.021828
"13346"	335.056124	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M-2H"	-2.014552
"453632"	503.087824	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M-2H"	-2.014552
"832459"	167.024424	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-2H"	-2.014552
"92530"	671.119524	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M-H"	-1.007276
"531729"	1007.182924	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M-H"	-1.007276
"908800"	335.056124	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-H"	-1.007276
"60989"	688.146071	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M-2H+NH4"	16.019271
"500547"	1024.209471	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M-2H+NH4"	16.019271
"878349"	352.082671	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-2H+NH4"	16.019271
"45156"	693.101466	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M-2H+Na"	20.974666
"481797"	1029.164866	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M-2H+Na"	20.974666
"860691"	357.038066	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-2H+Na"	20.974666
"1625122"	357.038066	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Na-2H"	20.974666
"101650"	353.044463	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M-H+Cl"	33.962126
"535742"	521.076163	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M-H+Cl"	33.962126
"932537"	185.012763	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-H+Cl"	33.962126
"272188"	707.096202	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+Cl"	34.969402
"660961"	1043.159602	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+Cl"	34.969402
"1277012"	371.032802	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Cl"	34.969402
"19564"	709.075406	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M-2H+K"	36.948606
"457064"	1045.138806	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M-2H+K"	36.948606
"840214"	373.012006	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-2H+K"	36.948606
"1558234"	373.012006	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+K-2H"	36.948606
"952680"	381.061594	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-H+HCOOH"	44.998194
"373082"	717.125001	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+HCOOH-H"	44.998201
"356967"	731.140651	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+Hac-H"	59.013851
"1503621"	395.077251	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Hac-H"	59.013851
"968973"	403.043551	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-H+NaCOOH"	66.980151
"116057"	371.032802	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+2Cl"	69.938804
"555252"	539.064502	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+2Cl"	69.938804
"1028428"	203.001102	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2Cl"	69.938804
"1246547"	414.982285	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Br"	78.918885
"1308267"	417.038272	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Cl+HCOOH"	80.974872
"1325764"	439.020229	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Cl+NaCOOH"	102.956829
"924480"	449.048986	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M-H+CF3COOH"	112.985586
"1300094"	485.025664	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Cl+CF3COOH"	148.962264
"1377159"	301.050724	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H-2H2O"	-35.012676
"1394291"	319.0607	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H-H2O"	-17.0027
"291063"	673.134076	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+H"	1.007276
"684944"	1009.197476	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+H"	1.007276
"1359834"	337.070676	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H"	1.007276
"133454"	337.070676	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+2H"	2.014552
"574836"	505.102376	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+2H"	2.014552
"1047644"	169.038976	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2H"	2.014552
"210077"	225.049542666667	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+3H"	3.021828
"650733"	337.070676	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+3H"	3.021828
"1172141"	113.028409333333	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+3H"	3.021828
"438712"	690.160623	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+NH4"	18.033823
"798977"	1026.224023	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+NH4"	18.033823
"1694946"	354.097223	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+NH4"	18.033823
"343226"	345.5839495	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+H+NH4"	19.041099
"737469"	513.6156495	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+H+NH4"	19.041099
"1491290"	177.5522495	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H+NH4"	19.041099
"407420"	695.116018	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+Na"	22.989218
"767688"	1031.179418	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+Na"	22.989218
"1618014"	359.052618	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Na"	22.989218
"329102"	348.061647	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+H+Na"	23.996494
"722413"	516.093347	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+H+Na"	23.996494
"1475707"	180.029947	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H+Na"	23.996494
"1067131"	120.355723333333	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2H+Na"	25.00377
"1270995"	369.096886	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+CH3OH+H"	33.033486
"391757"	711.089958	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+K"	38.963158
"752384"	1047.153358	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+K"	38.963158
"1555251"	375.026558	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+K"	38.963158
"311613"	356.048617	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+H+K"	39.970434
"705128"	524.080317	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+H+K"	39.970434
"1459679"	188.016917	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H+K"	39.970434
"247189"	714.160626	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+ACN+H"	42.033826
"1224772"	378.097226	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+ACN+H"	42.033826
"1209140"	189.552251	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+ACN+2H"	43.041102
"203343"	717.09796	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+2Na-H"	44.97116
"643881"	1053.16136	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+2Na-H"	44.97116
"1145807"	381.03456	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2Na-H"	44.97116
"188124"	359.052618	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+2Na"	45.978436
"626224"	527.084318	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+2Na"	45.978436
"1128271"	191.020918	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2Na"	45.978436
"1413986"	127.683037333333	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H+2Na"	46.985712
"1444965"	383.076146	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H+HCOOH"	47.012746
"235072"	364.08564	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+3H2O+2H"	56.04448
"1524102"	397.12819	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+IsoProp+H"	61.06479
"423990"	367.039588	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+Na+K"	61.952376
"785470"	535.071288	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+Na+K"	61.952376
"1681120"	199.007888	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Na+K"	61.952376
"266865"	736.142568	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+ACN+Na"	64.015768
"1240097"	400.079168	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+ACN+Na"	64.015768
"1726065"	400.102693	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+NH4+HCOOH"	64.039293
"1189231"	135.010351333333	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+3Na"	68.967654
"1664363"	405.058088	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Na+HCOOH"	68.994688
"171593"	749.04584	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+2K-H"	76.91904
"610304"	1085.10924	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+2K-H"	76.91904
"1098943"	412.98244	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2K-H"	76.91904
"155756"	375.026558	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"2M+2K"	77.926316
"595318"	543.058258	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"3M+2K"	77.926316
"1081535"	206.994858	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2K"	77.926316
"1111462"	414.996992	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2K+H"	78.933592
"1350029"	415.084607	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+DMSO+H"	79.021207
"1017838"	419.123776	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2ACN+H"	83.060376
"1536688"	420.117408	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+IsoProp+Na+H"	84.054008
"1002774"	210.065526	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+2ACN+2H"	84.067652
"1601771"	421.032028	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+K+HCOOH"	84.968628
"1428040"	451.063538	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+H+CF3COOH"	115.000138
"1158326"	230.578801	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+3ACN+2H"	125.094202
"1711885"	468.090085	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+NH4+CF3COOH"	132.026685
"1646803"	473.04548	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+Na+CF3COOH"	136.98208
"1578079"	489.01942	"C00796"	"Dicumarol;Dicoumarol"	"C19H12O6"	"336.0634"	"M+K+CF3COOH"	152.95602
"802979"	45.0578	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M"	0
"987084"	26.03941	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-H2O-H"	-19.01839
"71316"	29.0312573333333	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M-3H"	-3.021828
"511974"	44.050524	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M-3H"	-3.021828
"894515"	14.0119906666667	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-3H"	-3.021828
"14185"	44.050524	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M-2H"	-2.014552
"453013"	66.579424	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M-2H"	-2.014552
"828632"	21.521624	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-2H"	-2.014552
"87893"	89.108324	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M-H"	-1.007276
"530738"	134.166124	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M-H"	-1.007276
"907810"	44.050524	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-H"	-1.007276
"61098"	106.134871	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M-2H+NH4"	16.019271
"499928"	151.192671	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M-2H+NH4"	16.019271
"877729"	61.077071	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-2H+NH4"	16.019271
"44172"	111.090266	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M-2H+Na"	20.974666
"481907"	156.148066	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M-2H+Na"	20.974666
"860072"	66.032466	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-2H+Na"	20.974666
"1623045"	66.032466	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Na-2H"	20.974666
"98480"	62.038863	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M-H+Cl"	33.962126
"535852"	84.567763	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M-H+Cl"	33.962126
"930459"	39.509963	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-H+Cl"	33.962126
"268043"	125.085002	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+Cl"	34.969402
"660218"	170.142802	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+Cl"	34.969402
"1273149"	80.027202	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Cl"	34.969402
"16434"	127.064206	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M-2H+K"	36.948606
"458146"	172.122006	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M-2H+K"	36.948606
"841417"	82.006406	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-2H+K"	36.948606
"1559437"	82.006406	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+K-2H"	36.948606
"954976"	90.055994	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-H+HCOOH"	44.998194
"375378"	135.113801	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+HCOOH-H"	44.998201
"359263"	149.129451	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+Hac-H"	59.013851
"1504459"	104.071651	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Hac-H"	59.013851
"966896"	112.037951	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-H+NaCOOH"	66.980151
"120176"	80.027202	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+2Cl"	69.938804
"554632"	102.556102	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+2Cl"	69.938804
"1029631"	57.498302	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2Cl"	69.938804
"1251400"	123.976685	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Br"	78.918885
"1312752"	126.032672	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Cl+HCOOH"	80.974872
"1330247"	148.014629	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Cl+NaCOOH"	102.956829
"926049"	158.043386	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M-H+CF3COOH"	112.985586
"1300934"	194.020064	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Cl+CF3COOH"	148.962264
"1379455"	10.045124	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H-2H2O"	-35.012676
"1395493"	28.0551	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H-H2O"	-17.0027
"288986"	91.122876	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+H"	1.007276
"683962"	136.180676	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+H"	1.007276
"1359580"	46.065076	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H"	1.007276
"133929"	46.065076	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+2H"	2.014552
"575675"	68.593976	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+2H"	2.014552
"1047755"	23.536176	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2H"	2.014552
"210187"	31.0458093333333	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+3H"	3.021828
"647563"	46.065076	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+3H"	3.021828
"1172255"	16.0265426666667	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+3H"	3.021828
"439430"	108.149423	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+NH4"	18.033823
"800906"	153.207223	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+NH4"	18.033823
"1696511"	63.091623	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+NH4"	18.033823
"344066"	54.5783495	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+H+NH4"	19.041099
"737580"	77.1072495	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+H+NH4"	19.041099
"1490673"	32.0494495	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H+NH4"	19.041099
"407530"	113.104818	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+Na"	22.989218
"769255"	158.162618	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+Na"	22.989218
"1617716"	68.047018	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Na"	22.989218
"328847"	57.056047	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+H+Na"	23.996494
"722121"	79.584947	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+H+Na"	23.996494
"1474725"	34.527147	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H+Na"	23.996494
"1067930"	23.3538566666667	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2H+Na"	25.00377
"1271471"	78.091286	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+CH3OH+H"	33.033486
"392232"	129.078758	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+K"	38.963158
"752494"	174.136558	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+K"	38.963158
"1555036"	84.020958	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+K"	38.963158
"309535"	65.043017	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+H+K"	39.970434
"704145"	87.571917	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+H+K"	39.970434
"1458696"	42.514117	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H+K"	39.970434
"249486"	132.149426	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+ACN+H"	42.033826
"1224640"	87.091626	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+ACN+H"	42.033826
"1206451"	44.049451	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+ACN+2H"	43.041102
"203578"	135.08676	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+2Na-H"	44.97116
"643627"	180.14456	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+2Na-H"	44.97116
"1146608"	90.02896	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2Na-H"	44.97116
"188264"	68.047018	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+2Na"	45.978436
"625969"	90.575918	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+2Na"	45.978436
"1129838"	45.518118	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2Na"	45.978436
"1413890"	30.6811706666667	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H+2Na"	46.985712
"1445122"	92.070546	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H+HCOOH"	47.012746
"235180"	73.08004	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+3H2O+2H"	56.04448
"1523682"	106.12259	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+IsoProp+H"	61.06479
"423654"	76.033988	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+Na+K"	61.952376
"785419"	98.562888	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+Na+K"	61.952376
"1680252"	53.505088	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Na+K"	61.952376
"267012"	154.131368	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+ACN+Na"	64.015768
"1239235"	109.073568	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+ACN+Na"	64.015768
"1726175"	109.097093	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+NH4+HCOOH"	64.039293
"1189341"	38.0084846666667	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+3Na"	68.967654
"1664959"	114.052488	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Na+HCOOH"	68.994688
"171220"	167.03464	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+2K-H"	76.91904
"610778"	212.09244	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+2K-H"	76.91904
"1099451"	121.97684	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2K-H"	76.91904
"156919"	84.020958	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"2M+2K"	77.926316
"596392"	106.549858	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"3M+2K"	77.926316
"1082372"	61.492058	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2K"	77.926316
"1114122"	123.991392	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2K+H"	78.933592
"1349411"	124.079007	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+DMSO+H"	79.021207
"1019403"	128.118176	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2ACN+H"	83.060376
"1538622"	129.111808	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+IsoProp+Na+H"	84.054008
"1003614"	64.562726	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+2ACN+2H"	84.067652
"1599940"	130.026428	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+K+HCOOH"	84.968628
"1427055"	160.057938	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+H+CF3COOH"	115.000138
"1161596"	85.076001	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+3ACN+2H"	125.094202
"1711631"	177.084485	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+NH4+CF3COOH"	132.026685
"1646913"	182.03988	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+Na+CF3COOH"	136.98208
"1578189"	198.01382	"C00797"	"Ethylamine"	"C2H7N"	"45.0578"	"M+K+CF3COOH"	152.95602
"801996"	795.1101	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M"	0
"985007"	776.09171	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-H2O-H"	-19.01839
"65229"	529.066124	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M-3H"	-3.021828
"504422"	794.102824	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M-3H"	-3.021828
"890978"	264.029424	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-3H"	-3.021828
"11379"	794.102824	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M-2H"	-2.014552
"451666"	1191.657874	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M-2H"	-2.014552
"825826"	396.547774	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-2H"	-2.014552
"85816"	1589.212924	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M-H"	-1.007276
"529754"	2384.323024	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M-H"	-1.007276
"906827"	794.102824	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-H"	-1.007276
"60842"	1606.239471	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M-2H+NH4"	16.019271
"498943"	2401.349571	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M-2H+NH4"	16.019271
"877110"	811.129371	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-2H+NH4"	16.019271
"42823"	1611.194866	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M-2H+Na"	20.974666
"480195"	2406.304966	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M-2H+Na"	20.974666
"858725"	816.084766	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-2H+Na"	20.974666
"1624248"	816.084766	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Na-2H"	20.974666
"97497"	812.091163	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M-H+Cl"	33.962126
"535962"	1209.646213	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M-H+Cl"	33.962126
"929476"	414.536113	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-H+Cl"	33.962126
"268030"	1625.189602	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+Cl"	34.969402
"660813"	2420.299702	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+Cl"	34.969402
"1273580"	830.079502	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Cl"	34.969402
"15779"	1627.168806	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M-2H+K"	36.948606
"455765"	2422.278906	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M-2H+K"	36.948606
"844807"	832.058706	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-2H+K"	36.948606
"1560640"	832.058706	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+K-2H"	36.948606
"955086"	840.108294	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-H+HCOOH"	44.998194
"373302"	1635.218401	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+HCOOH-H"	44.998201
"357187"	1649.234051	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+Hac-H"	59.013851
"1504933"	854.123951	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Hac-H"	59.013851
"965913"	862.090251	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-H+NaCOOH"	66.980151
"117006"	830.079502	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+2Cl"	69.938804
"554742"	1227.634552	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+2Cl"	69.938804
"1023541"	432.524452	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2Cl"	69.938804
"1251510"	874.028985	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Br"	78.918885
"1311769"	876.084972	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Cl+HCOOH"	80.974872
"1331450"	898.066929	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Cl+NaCOOH"	102.956829
"921415"	908.095686	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M-H+CF3COOH"	112.985586
"1301408"	944.072364	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Cl+CF3COOH"	148.962264
"1379201"	760.097424	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H-2H2O"	-35.012676
"1395603"	778.1074	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H-H2O"	-17.0027
"292374"	1591.227476	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+H"	1.007276
"686983"	2386.337576	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+H"	1.007276
"1360054"	796.117376	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H"	1.007276
"134766"	796.117376	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+2H"	2.014552
"573596"	1193.672426	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+2H"	2.014552
"1042395"	398.562326	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2H"	2.014552
"209201"	531.080676	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+3H"	3.021828
"648766"	796.117376	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+3H"	3.021828
"1171269"	266.043976	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+3H"	3.021828
"435643"	1608.254023	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+NH4"	18.033823
"800531"	2403.364123	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+NH4"	18.033823
"1695893"	813.143923	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+NH4"	18.033823
"340168"	804.6306495	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+H+NH4"	19.041099
"736961"	1202.1856995	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+H+NH4"	19.041099
"1490783"	407.0755995	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H+NH4"	19.041099
"404361"	1613.209418	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+Na"	22.989218
"766085"	2408.319518	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+Na"	22.989218
"1616733"	818.099318	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Na"	22.989218
"328592"	807.108347	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+H+Na"	23.996494
"722105"	1204.663397	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+H+Na"	23.996494
"1475201"	409.553297	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H+Na"	23.996494
"1067352"	273.37129	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2H+Na"	25.00377
"1270603"	828.143586	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+CH3OH+H"	33.033486
"392340"	1629.183358	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+K"	38.963158
"749323"	2424.293458	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+K"	38.963158
"1544810"	834.073258	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+K"	38.963158
"304174"	815.095317	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+H+K"	39.970434
"700970"	1212.650367	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+H+K"	39.970434
"1456984"	417.540267	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H+K"	39.970434
"248503"	1632.254026	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+ACN+H"	42.033826
"1225356"	837.143926	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+ACN+H"	42.033826
"1208383"	419.075601	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+ACN+2H"	43.041102
"203893"	1635.19136	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+2Na-H"	44.97116
"643898"	2430.30146	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+2Na-H"	44.97116
"1146717"	840.08126	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2Na-H"	44.97116
"187977"	818.099318	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+2Na"	45.978436
"624985"	1215.654368	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+2Na"	45.978436
"1130438"	420.544268	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2Na"	45.978436
"1412988"	280.698604	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H+2Na"	46.985712
"1445436"	842.122846	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H+HCOOH"	47.012746
"235168"	823.13234	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+3H2O+2H"	56.04448
"1523836"	856.17489	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+IsoProp+H"	61.06479
"423033"	826.086288	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+Na+K"	61.952376
"784026"	1223.641338	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+Na+K"	61.952376
"1680849"	428.531238	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Na+K"	61.952376
"266635"	1654.235968	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+ACN+Na"	64.015768
"1239587"	859.125868	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+ACN+Na"	64.015768
"1726285"	859.149393	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+NH4+HCOOH"	64.039293
"1188358"	288.025918	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+3Na"	68.967654
"1665503"	864.104788	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Na+HCOOH"	68.994688
"171327"	1667.13924	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+2K-H"	76.91904
"611616"	2462.24934	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+2K-H"	76.91904
"1099034"	872.02914	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2K-H"	76.91904
"156458"	834.073258	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"2M+2K"	77.926316
"595894"	1231.628308	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"3M+2K"	77.926316
"1081751"	436.518208	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2K"	77.926316
"1114232"	874.043692	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2K+H"	78.933592
"1349155"	874.131307	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+DMSO+H"	79.021207
"1020242"	878.170476	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2ACN+H"	83.060376
"1539421"	879.164108	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+IsoProp+Na+H"	84.054008
"1004817"	439.588876	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+2ACN+2H"	84.067652
"1602237"	880.078728	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+K+HCOOH"	84.968628
"1427166"	910.110238	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+H+CF3COOH"	115.000138
"1161827"	460.102151	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+3ACN+2H"	125.094202
"1712635"	927.136785	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+NH4+CF3COOH"	132.026685
"1647023"	932.09218	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+Na+CF3COOH"	136.98208
"1578299"	948.06612	"C00798"	"Formyl-CoA"	"C22H36N7O17P3S"	"795.1101"	"M+K+CF3COOH"	152.95602
"814867"	222.0681	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M"	0
"985484"	203.04971	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-H2O-H"	-19.01839
"73724"	147.038124	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M-3H"	-3.021828
"513286"	221.060824	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M-3H"	-3.021828
"892184"	73.015424	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-3H"	-3.021828
"12944"	221.060824	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M-2H"	-2.014552
"450320"	332.094874	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M-2H"	-2.014552
"827030"	110.026774	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-2H"	-2.014552
"87019"	443.128924	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M-H"	-1.007276
"529864"	665.197024	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M-H"	-1.007276
"906937"	221.060824	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-H"	-1.007276
"60836"	460.155471	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M-2H+NH4"	16.019271
"502468"	682.223571	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M-2H+NH4"	16.019271
"878563"	238.087371	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-2H+NH4"	16.019271
"45369"	465.110866	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M-2H+Na"	20.974666
"486260"	687.178966	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M-2H+Na"	20.974666
"858106"	243.042766	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-2H+Na"	20.974666
"1631289"	243.042766	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Na-2H"	20.974666
"107087"	239.049163	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M-H+Cl"	33.962126
"541541"	350.083213	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M-H+Cl"	33.962126
"935055"	128.015113	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-H+Cl"	33.962126
"272518"	479.105602	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+Cl"	34.969402
"662020"	701.173702	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+Cl"	34.969402
"1273934"	257.037502	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Cl"	34.969402
"15998"	481.084806	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M-2H+K"	36.948606
"456086"	703.152906	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M-2H+K"	36.948606
"836169"	259.016706	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-2H+K"	36.948606
"1558562"	259.016706	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+K-2H"	36.948606
"955196"	267.066294	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-H+HCOOH"	44.998194
"372319"	489.134401	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+HCOOH-H"	44.998201
"359484"	503.150051	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+Hac-H"	59.013851
"1505772"	281.081951	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Hac-H"	59.013851
"966023"	289.048251	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-H+NaCOOH"	66.980151
"117480"	257.037502	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+2Cl"	69.938804
"552664"	368.071552	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+2Cl"	69.938804
"1024379"	146.003452	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2Cl"	69.938804
"1254176"	300.986985	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Br"	78.918885
"1316985"	303.042972	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Cl+HCOOH"	80.974872
"1328284"	325.024929	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Cl+NaCOOH"	102.956829
"921528"	335.053686	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M-H+CF3COOH"	112.985586
"1298235"	371.030364	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Cl+CF3COOH"	148.962264
"1370562"	187.055424	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H-2H2O"	-35.012676
"1390609"	205.0654	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H-H2O"	-17.0027
"286287"	445.143476	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+H"	1.007276
"680533"	667.211576	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+H"	1.007276
"1352509"	223.075376	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H"	1.007276
"129775"	223.075376	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+2H"	2.014552
"569334"	334.109426	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+2H"	2.014552
"1040320"	112.041326	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2H"	2.014552
"209313"	149.052676	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+3H"	3.021828
"645714"	223.075376	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+3H"	3.021828
"1165910"	75.029976	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+3H"	3.021828
"438555"	462.170023	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+NH4"	18.033823
"798941"	684.238123	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+NH4"	18.033823
"1695641"	240.101923	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+NH4"	18.033823
"343921"	231.5886495	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+H+NH4"	19.041099
"737070"	342.6226995	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+H+NH4"	19.041099
"1489434"	120.5545995	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H+NH4"	19.041099
"405564"	467.125418	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+Na"	22.989218
"765102"	689.193518	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+Na"	22.989218
"1613198"	245.057318	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Na"	22.989218
"325421"	234.066347	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+H+Na"	23.996494
"721365"	345.100397	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+H+Na"	23.996494
"1475797"	123.032297	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H+Na"	23.996494
"1067463"	82.35729	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2H+Na"	25.00377
"1270713"	255.101586	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+CH3OH+H"	33.033486
"387343"	483.099358	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+K"	38.963158
"748338"	705.167458	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+K"	38.963158
"1548203"	261.031258	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+K"	38.963158
"309757"	242.053317	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+H+K"	39.970434
"701082"	353.087367	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+H+K"	39.970434
"1457095"	131.019267	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H+K"	39.970434
"247519"	486.170026	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+ACN+H"	42.033826
"1225267"	264.101926	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+ACN+H"	42.033826
"1205577"	132.554601	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+ACN+2H"	43.041102
"204192"	489.10736	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+2Na-H"	44.97116
"643357"	711.17546	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+2Na-H"	44.97116
"1146824"	267.03926	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2Na-H"	44.97116
"188095"	245.057318	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+2Na"	45.978436
"628011"	356.091368	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+2Na"	45.978436
"1130919"	134.023268	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2Na"	45.978436
"1413105"	89.684604	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H+2Na"	46.985712
"1444124"	269.080846	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H+HCOOH"	47.012746
"234792"	250.09034	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+3H2O+2H"	56.04448
"1523343"	283.13289	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+IsoProp+H"	61.06479
"423752"	253.044288	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+Na+K"	61.952376
"785362"	364.078338	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+Na+K"	61.952376
"1679988"	142.010238	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Na+K"	61.952376
"266505"	508.151968	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+ACN+Na"	64.015768
"1240194"	286.083868	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+ACN+Na"	64.015768
"1727135"	286.107393	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+NH4+HCOOH"	64.039293
"1190664"	97.011918	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+3Na"	68.967654
"1664576"	291.062788	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Na+HCOOH"	68.994688
"171074"	521.05524	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+2K-H"	76.91904
"610995"	743.12334	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+2K-H"	76.91904
"1098300"	298.98714	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2K-H"	76.91904
"156089"	261.031258	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"2M+2K"	77.926316
"595763"	372.065308	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"3M+2K"	77.926316
"1082716"	149.997208	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2K"	77.926316
"1114346"	301.001692	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2K+H"	78.933592
"1348539"	301.089307	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+DMSO+H"	79.021207
"1021125"	305.128476	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2ACN+H"	83.060376
"1539089"	306.122108	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+IsoProp+Na+H"	84.054008
"1005483"	153.067876	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+2ACN+2H"	84.067652
"1593961"	307.036728	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+K+HCOOH"	84.968628
"1427276"	337.068238	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+H+CF3COOH"	115.000138
"1161572"	173.581151	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+3ACN+2H"	125.094202
"1711487"	354.094785	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+NH4+CF3COOH"	132.026685
"1647135"	359.05018	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+Na+CF3COOH"	136.98208
"1581692"	375.02412	"C00799"	"Isoflavone"	"C15H10O2"	"222.0681"	"M+K+CF3COOH"	152.95602
"802580"	196.0583	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M"	0
"986685"	177.03991	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"66178"	129.698257333333	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"513396"	195.051024	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"889011"	64.3454906666667	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"12328"	195.051024	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"451520"	293.080174	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"828232"	97.021874	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"86036"	391.109324	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"529246"	587.167624	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"906683"	195.051024	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"60700"	408.135871	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"502089"	604.194171	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"878792"	212.077571	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"46206"	413.091266	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"484791"	609.149566	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"858216"	217.032966	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1631032"	217.032966	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"107558"	213.039363	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"541651"	311.068513	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"935165"	115.010213	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"272628"	427.086002	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"662858"	623.144302	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1274530"	231.027702	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"17322"	429.065206	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"457006"	625.123506	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"835186"	233.006906	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1558671"	233.006906	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"947651"	241.056494	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"372428"	437.114801	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"358500"	451.130451	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1498951"	255.072151	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"966130"	263.038451	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"117226"	231.027702	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"552410"	329.056852	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1024125"	132.998552	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1255377"	274.977185	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1315273"	277.033172	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1328394"	299.015129	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"919451"	309.043886	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1297252"	345.020564	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1371037"	161.045624	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1390719"	179.0556	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"285669"	393.123876	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"683923"	589.182176	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1352256"	197.065576	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"130249"	197.065576	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"568350"	295.094726	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1040430"	99.036426	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"208330"	131.712809333333	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"645335"	197.065576	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1168204"	66.3600426666667	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"439840"	410.150423	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"800631"	606.208723	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1696723"	214.092123	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"345246"	205.5788495	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"737666"	303.6079995	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1492096"	107.5496995	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"405674"	415.105818	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"767399"	611.164118	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1615494"	219.047518	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"328810"	208.056547	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"721597"	306.085697	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1476837"	110.027397	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1065013"	73.6873566666667	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1271065"	229.091786	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"388546"	431.079758	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"751724"	627.138058	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1548312"	235.021458	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"310960"	216.043517	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"704107"	314.072667	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1453925"	118.014367	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"241433"	434.150426	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1224730"	238.092126	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1205323"	119.549701	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"203307"	437.08776	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"643470"	633.14606	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1145885"	241.02946	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"187840"	219.047518	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"627516"	317.076668	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1130664"	121.018368	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1413465"	81.0146706666667	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1444847"	243.071046	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"234540"	224.08054	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1524043"	257.12309	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"422525"	227.034488	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"785275"	325.063638	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1681212"	129.005338	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"265887"	456.132368	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1240673"	260.074068	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1727488"	260.097593	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1193322"	88.3419846666667	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1664324"	265.052988	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"171548"	469.03564	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"611833"	665.09394	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1099825"	272.97734	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"156077"	235.021458	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"595993"	333.050608	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1083430"	136.992308	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1115062"	274.991892	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1349742"	275.079507	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1020587"	279.118676	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1537497"	280.112308	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"1005284"	140.062976	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1595165"	281.026928	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1425199"	311.058438	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1161562"	160.576251	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1711842"	328.084985	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1648338"	333.04038	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1581802"	349.01432	"C00800"	"L-Gulonate;L-Gulonic acid;Gulonate;Gulonic acid"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"812169"	132.0171	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M"	0
"986796"	112.99871	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-H2O-H"	-19.01839
"73948"	87.004124	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M-3H"	-3.021828
"505852"	131.009824	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M-3H"	-3.021828
"885839"	42.998424	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-3H"	-3.021828
"13163"	131.009824	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M-2H"	-2.014552
"451274"	197.018374	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M-2H"	-2.014552
"829440"	65.001274	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-2H"	-2.014552
"94228"	263.026924	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M-H"	-1.007276
"534105"	395.044024	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M-H"	-1.007276
"908983"	131.009824	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-H"	-1.007276
"60809"	280.053471	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M-2H+NH4"	16.019271
"501952"	412.070571	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M-2H+NH4"	16.019271
"875984"	148.036371	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-2H+NH4"	16.019271
"45342"	285.008866	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M-2H+Na"	20.974666
"484173"	417.025966	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M-2H+Na"	20.974666
"859789"	152.991766	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-2H+Na"	20.974666
"1629684"	152.991766	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Na-2H"	20.974666
"97829"	148.998163	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M-H+Cl"	33.962126
"538482"	215.006713	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M-H+Cl"	33.962126
"933089"	82.989613	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-H+Cl"	33.962126
"270552"	299.003602	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+Cl"	34.969402
"661390"	431.020702	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+Cl"	34.969402
"1274644"	166.986502	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Cl"	34.969402
"19023"	300.982806	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M-2H+K"	36.948606
"461866"	432.999906	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M-2H+K"	36.948606
"835295"	168.965706	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-2H+K"	36.948606
"1560969"	168.965706	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+K-2H"	36.948606
"957690"	177.015294	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-H+HCOOH"	44.998194
"375456"	309.032401	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+HCOOH-H"	44.998201
"354239"	323.048051	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+Hac-H"	59.013851
"1501980"	191.030951	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Hac-H"	59.013851
"968433"	198.997251	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-H+NaCOOH"	66.980151
"116244"	166.986502	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+2Cl"	69.938804
"554709"	232.995052	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+2Cl"	69.938804
"1035183"	100.977952	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2Cl"	69.938804
"1254030"	210.935985	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Br"	78.918885
"1316479"	212.991972	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Cl+HCOOH"	80.974872
"1331785"	234.973929	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Cl+NaCOOH"	102.956829
"919561"	245.002686	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M-H+CF3COOH"	112.985586
"1291529"	280.979364	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Cl+CF3COOH"	148.962264
"1370784"	97.004424	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H-2H2O"	-35.012676
"1385365"	115.0144	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H-H2O"	-17.0027
"288330"	265.041476	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+H"	1.007276
"680759"	397.058576	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+H"	1.007276
"1361482"	133.024376	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H"	1.007276
"130359"	133.024376	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+2H"	2.014552
"568461"	199.032926	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+2H"	2.014552
"1040536"	67.015826	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2H"	2.014552
"207350"	89.018676	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+3H"	3.021828
"649098"	133.024376	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+3H"	3.021828
"1174892"	45.012976	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+3H"	3.021828
"435976"	282.068023	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+NH4"	18.033823
"800375"	414.085123	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+NH4"	18.033823
"1696790"	150.050923	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+NH4"	18.033823
"345188"	141.5376495	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+H+NH4"	19.041099
"738378"	207.5461995	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+H+NH4"	19.041099
"1492557"	75.5290995	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H+NH4"	19.041099
"407969"	287.023418	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+Na"	22.989218
"768233"	419.040518	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+Na"	22.989218
"1614509"	155.006318	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Na"	22.989218
"327827"	144.015347	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+H+Na"	23.996494
"721343"	210.023897	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+H+Na"	23.996494
"1476620"	78.006797	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H+Na"	23.996494
"1066945"	52.34029	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2H+Na"	25.00377
"1272354"	165.050586	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+CH3OH+H"	33.033486
"386468"	302.997358	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+K"	38.963158
"753663"	435.014458	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+K"	38.963158
"1553900"	170.980258	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+K"	38.963158
"313257"	152.002317	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+H+K"	39.970434
"703496"	218.010867	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+H+K"	39.970434
"1457316"	85.993767	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H+K"	39.970434
"251032"	306.068026	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+ACN+H"	42.033826
"1223982"	174.050926	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+ACN+H"	42.033826
"1207619"	87.529101	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+ACN+2H"	43.041102
"198666"	309.00536	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+2Na-H"	44.97116
"640415"	441.02246	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+2Na-H"	44.97116
"1143558"	176.98826	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2Na-H"	44.97116
"187706"	155.006318	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+2Na"	45.978436
"624586"	221.014868	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+2Na"	45.978436
"1129675"	88.997768	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2Na"	45.978436
"1413446"	59.667604	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H+2Na"	46.985712
"1444830"	179.029846	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H+HCOOH"	47.012746
"234902"	160.03934	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+3H2O+2H"	56.04448
"1523770"	193.08189	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+IsoProp+H"	61.06479
"423381"	162.993288	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+Na+K"	61.952376
"785058"	229.001838	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+Na+K"	61.952376
"1680329"	96.984738	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Na+K"	61.952376
"266376"	328.049968	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+ACN+Na"	64.015768
"1240177"	196.032868	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+ACN+Na"	64.015768
"1727851"	196.056393	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+NH4+HCOOH"	64.039293
"1193080"	66.994918	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+3Na"	68.967654
"1664189"	201.011788	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Na+HCOOH"	68.994688
"171415"	340.95324	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+2K-H"	76.91904
"610123"	472.97034	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+2K-H"	76.91904
"1098884"	208.93614	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2K-H"	76.91904
"153264"	170.980258	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"2M+2K"	77.926316
"595022"	236.988808	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"3M+2K"	77.926316
"1082450"	104.971708	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2K"	77.926316
"1113839"	210.950692	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2K+H"	78.933592
"1348767"	211.038307	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+DMSO+H"	79.021207
"1019847"	215.077476	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2ACN+H"	83.060376
"1536516"	216.071108	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+IsoProp+Na+H"	84.054008
"1003934"	108.042376	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+2ACN+2H"	84.067652
"1601718"	216.985728	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+K+HCOOH"	84.968628
"1428834"	247.017238	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+H+CF3COOH"	115.000138
"1162161"	128.555651	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+3ACN+2H"	125.094202
"1712074"	264.043785	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+NH4+CF3COOH"	132.026685
"1648448"	268.99918	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+Na+CF3COOH"	136.98208
"1581912"	284.97312	"C00802"	"Oxalureate;Oxaluric acid;Monooxalylurea;Oxalurate"	"C3H4N2O4"	"132.0171"	"M+K+CF3COOH"	152.95602
"812279"	102.0681	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M"	0
"985812"	83.04971	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-H2O-H"	-19.01839
"75151"	67.038124	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M-3H"	-3.021828
"509241"	101.060824	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M-3H"	-3.021828
"885948"	33.015424	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-3H"	-3.021828
"11086"	101.060824	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M-2H"	-2.014552
"453568"	152.094874	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M-2H"	-2.014552
"829184"	50.026774	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-2H"	-2.014552
"94211"	203.128924	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M-H"	-1.007276
"533361"	305.197024	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M-H"	-1.007276
"909457"	101.060824	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-H"	-1.007276
"60555"	220.155471	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M-2H+NH4"	16.019271
"502346"	322.223571	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M-2H+NH4"	16.019271
"877187"	118.087371	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-2H+NH4"	16.019271
"45452"	225.110866	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M-2H+Na"	20.974666
"484283"	327.178966	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M-2H+Na"	20.974666
"862085"	123.042766	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-2H+Na"	20.974666
"1629065"	123.042766	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Na-2H"	20.974666
"100125"	119.049163	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M-H+Cl"	33.962126
"540778"	170.083213	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M-H+Cl"	33.962126
"933199"	68.015113	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-H+Cl"	33.962126
"271026"	239.105602	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+Cl"	34.969402
"662351"	341.173702	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+Cl"	34.969402
"1273781"	137.037502	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Cl"	34.969402
"18041"	241.084806	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M-2H+K"	36.948606
"461976"	343.152906	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M-2H+K"	36.948606
"836497"	139.016706	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-2H+K"	36.948606
"1559986"	139.016706	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+K-2H"	36.948606
"955163"	147.066294	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-H+HCOOH"	44.998194
"374838"	249.134401	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+HCOOH-H"	44.998201
"348515"	263.150051	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+Hac-H"	59.013851
"1495886"	161.081951	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Hac-H"	59.013851
"968543"	169.048251	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-H+NaCOOH"	66.980151
"117447"	137.037502	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+2Cl"	69.938804
"554819"	188.071552	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+2Cl"	69.938804
"1034200"	86.003452	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2Cl"	69.938804
"1253412"	180.986985	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Br"	78.918885
"1316225"	183.042972	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Cl+HCOOH"	80.974872
"1331895"	205.024929	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Cl+NaCOOH"	102.956829
"921857"	215.053686	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M-H+CF3COOH"	112.985586
"1294555"	251.030364	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Cl+CF3COOH"	148.962264
"1373446"	67.055424	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H-2H2O"	-35.012676
"1385474"	85.0654	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H-H2O"	-17.0027
"291721"	205.143476	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+H"	1.007276
"680869"	307.211576	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+H"	1.007276
"1360499"	103.075376	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H"	1.007276
"130105"	103.075376	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+2H"	2.014552
"569665"	154.109426	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+2H"	2.014552
"1042836"	52.041326	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2H"	2.014552
"207459"	69.052676	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+3H"	3.021828
"649208"	103.075376	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+3H"	3.021828
"1175001"	35.029976	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+3H"	3.021828
"436086"	222.170023	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+NH4"	18.033823
"798906"	324.238123	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+NH4"	18.033823
"1694507"	120.101923	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+NH4"	18.033823
"342787"	111.5886495	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+H+NH4"	19.041099
"736303"	162.6226995	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+H+NH4"	19.041099
"1489031"	60.5545995	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H+NH4"	19.041099
"405527"	227.125418	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+Na"	22.989218
"764334"	329.193518	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+Na"	22.989218
"1610247"	125.057318	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Na"	22.989218
"322471"	114.066347	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+H+Na"	23.996494
"718173"	165.100397	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+H+Na"	23.996494
"1474908"	63.032297	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H+Na"	23.996494
"1063045"	42.35729	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2H+Na"	25.00377
"1266911"	135.101586	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+CH3OH+H"	33.033486
"384391"	243.099358	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+K"	38.963158
"752681"	345.167458	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+K"	38.963158
"1554377"	141.031258	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+K"	38.963158
"311909"	122.053317	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+H+K"	39.970434
"703604"	173.087367	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+H+K"	39.970434
"1454144"	71.019267	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H+K"	39.970434
"251019"	246.170026	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+ACN+H"	42.033826
"1224454"	144.101926	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+ACN+H"	42.033826
"1206272"	72.554601	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+ACN+2H"	43.041102
"196590"	249.10736	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+2Na-H"	44.97116
"633966"	351.17546	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+2Na-H"	44.97116
"1138565"	147.03926	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2Na-H"	44.97116
"188052"	125.057318	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+2Na"	45.978436
"624696"	176.091368	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+2Na"	45.978436
"1130026"	74.023268	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2Na"	45.978436
"1413836"	49.684604	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H+2Na"	46.985712
"1443479"	149.080846	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H+HCOOH"	47.012746
"234999"	130.09034	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+3H2O+2H"	56.04448
"1523425"	163.13289	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+IsoProp+H"	61.06479
"423974"	133.044288	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+Na+K"	61.952376
"785209"	184.078338	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+Na+K"	61.952376
"1680437"	82.010238	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Na+K"	61.952376
"266972"	268.151968	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+ACN+Na"	64.015768
"1240532"	166.083868	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+ACN+Na"	64.015768
"1727838"	166.107393	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+NH4+HCOOH"	64.039293
"1193071"	57.011918	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+3Na"	68.967654
"1663811"	171.062788	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Na+HCOOH"	68.994688
"171160"	281.05524	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+2K-H"	76.91904
"609867"	383.12334	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+2K-H"	76.91904
"1098390"	178.98714	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2K-H"	76.91904
"154467"	141.031258	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"2M+2K"	77.926316
"595375"	192.065308	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"3M+2K"	77.926316
"1082804"	89.997208	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2K"	77.926316
"1114557"	181.001692	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2K+H"	78.933592
"1349000"	181.089307	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+DMSO+H"	79.021207
"1018863"	185.128476	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2ACN+H"	83.060376
"1538206"	186.122108	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+IsoProp+Na+H"	84.054008
"1004165"	93.067876	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+2ACN+2H"	84.067652
"1602316"	187.036728	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+K+HCOOH"	84.968628
"1428334"	217.068238	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+H+CF3COOH"	115.000138
"1161537"	113.581151	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+3ACN+2H"	125.094202
"1711814"	234.094785	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+NH4+CF3COOH"	132.026685
"1645278"	239.05018	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+Na+CF3COOH"	136.98208
"1582022"	255.02412	"C00803"	"Pentanoate;Valerate;Pentanoic acid;Valeric acid;Valerianic acid;n-Pentanoate;n-Valeric acid"	"C5H10O2"	"102.0681"	"M+K+CF3COOH"	152.95602
"812389"	70.0055	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M"	0
"985923"	50.98711	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-H2O-H"	-19.01839
"75261"	45.6630573333333	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M-3H"	-3.021828
"507165"	68.998224	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M-3H"	-3.021828
"887152"	22.3278906666667	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-3H"	-3.021828
"11196"	68.998224	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M-2H"	-2.014552
"451857"	104.000974	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M-2H"	-2.014552
"828201"	33.995474	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-2H"	-2.014552
"94127"	139.003724	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M-H"	-1.007276
"533225"	209.009224	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M-H"	-1.007276
"908474"	68.998224	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-H"	-1.007276
"62655"	156.030271	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M-2H+NH4"	16.019271
"499860"	226.035771	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M-2H+NH4"	16.019271
"876932"	86.024771	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-2H+NH4"	16.019271
"45926"	160.985666	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M-2H+Na"	20.974666
"484757"	230.991166	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M-2H+Na"	20.974666
"858915"	90.980166	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-2H+Na"	20.974666
"1626988"	90.980166	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Na-2H"	20.974666
"99142"	86.986563	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M-H+Cl"	33.962126
"539795"	121.989313	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M-H+Cl"	33.962126
"936590"	51.983813	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-H+Cl"	33.962126
"271136"	174.980402	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+Cl"	34.969402
"664286"	244.985902	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+Cl"	34.969402
"1273528"	104.974902	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Cl"	34.969402
"18151"	176.959606	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M-2H+K"	36.948606
"458807"	246.965106	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M-2H+K"	36.948606
"835514"	106.954106	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-2H+K"	36.948606
"1559003"	106.954106	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+K-2H"	36.948606
"947979"	115.003694	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-H+HCOOH"	44.998194
"372758"	185.009201	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+HCOOH-H"	44.998201
"351541"	199.024851	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+Hac-H"	59.013851
"1498918"	129.019351	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Hac-H"	59.013851
"969746"	136.985651	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-H+NaCOOH"	66.980151
"122661"	104.974902	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+2Cl"	69.938804
"558210"	139.977652	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+2Cl"	69.938804
"1025547"	69.972152	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2Cl"	69.938804
"1257011"	148.924385	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Br"	78.918885
"1316699"	150.980372	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Cl+HCOOH"	80.974872
"1334192"	172.962329	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Cl+NaCOOH"	102.956829
"921967"	182.991086	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M-H+CF3COOH"	112.985586
"1294302"	218.967764	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Cl+CF3COOH"	148.962264
"1373556"	34.992824	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H-2H2O"	-35.012676
"1389961"	53.0028	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H-H2O"	-17.0027
"287460"	141.018276	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+H"	1.007276
"682072"	211.023776	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+H"	1.007276
"1361703"	71.012776	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H"	1.007276
"133496"	71.012776	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+2H"	2.014552
"571963"	106.015526	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+2H"	2.014552
"1041855"	36.010026	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2H"	2.014552
"209758"	47.6776093333333	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+3H"	3.021828
"650411"	71.012776	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+3H"	3.021828
"1177664"	24.3424426666667	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+3H"	3.021828
"437653"	158.044823	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+NH4"	18.033823
"801081"	228.050323	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+NH4"	18.033823
"1696683"	88.039323	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+NH4"	18.033823
"344964"	79.5260495	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+H+NH4"	19.041099
"738240"	114.5287995	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+H+NH4"	19.041099
"1491693"	44.5232995	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H+NH4"	19.041099
"408028"	163.000218	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+Na"	22.989218
"766632"	233.005718	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+Na"	22.989218
"1613636"	92.994718	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Na"	22.989218
"324767"	82.003747	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+H+Na"	23.996494
"722171"	117.006497	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+H+Na"	23.996494
"1476760"	47.000997	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H+Na"	23.996494
"1066434"	31.6697566666667	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2H+Na"	25.00377
"1269209"	103.038986	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+CH3OH+H"	33.033486
"390698"	178.974158	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+K"	38.963158
"749871"	248.979658	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+K"	38.963158
"1555414"	108.968658	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+K"	38.963158
"311291"	89.990717	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+H+K"	39.970434
"705172"	124.993467	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+H+K"	39.970434
"1459723"	54.987967	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H+K"	39.970434
"250848"	182.044826	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+ACN+H"	42.033826
"1217760"	112.039326	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+ACN+H"	42.033826
"1209341"	56.523301	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+ACN+2H"	43.041102
"194515"	184.98216	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+2Na-H"	44.97116
"632980"	254.98766	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+2Na-H"	44.97116
"1143414"	114.97666	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2Na-H"	44.97116
"185610"	92.994718	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+2Na"	45.978436
"623713"	127.997468	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+2Na"	45.978436
"1129771"	57.991968	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2Na"	45.978436
"1411471"	38.9970706666667	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H+2Na"	46.985712
"1444317"	117.018246	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H+HCOOH"	47.012746
"232189"	98.02774	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+3H2O+2H"	56.04448
"1523169"	131.07029	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+IsoProp+H"	61.06479
"424039"	100.981688	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+Na+K"	61.952376
"785630"	135.984438	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+Na+K"	61.952376
"1681035"	65.978938	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Na+K"	61.952376
"267107"	204.026768	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+ACN+Na"	64.015768
"1241172"	134.021268	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+ACN+Na"	64.015768
"1728117"	134.044793	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+NH4+HCOOH"	64.039293
"1192937"	46.3243846666667	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+3Na"	68.967654
"1664044"	139.000188	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Na+HCOOH"	68.994688
"170783"	216.93004	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+2K-H"	76.91904
"610703"	286.93554	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+2K-H"	76.91904
"1099223"	146.92454	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2K-H"	76.91904
"156398"	108.968658	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"2M+2K"	77.926316
"594146"	143.971408	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"3M+2K"	77.926316
"1083644"	73.965908	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2K"	77.926316
"1114665"	148.939092	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2K+H"	78.933592
"1350689"	149.026707	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+DMSO+H"	79.021207
"1020069"	153.065876	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2ACN+H"	83.060376
"1539774"	154.059508	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+IsoProp+Na+H"	84.054008
"1005493"	77.036576	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+2ACN+2H"	84.067652
"1601815"	154.974128	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+K+HCOOH"	84.968628
"1428445"	185.005638	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+H+CF3COOH"	115.000138
"1161284"	97.549851	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+3ACN+2H"	125.094202
"1712292"	202.032185	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+NH4+CF3COOH"	132.026685
"1647575"	206.98758	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+Na+CF3COOH"	136.98208
"1582132"	222.96152	"C00804"	"Propynoate;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate"	"C3H2O2"	"70.0055"	"M+K+CF3COOH"	152.95602
"809219"	138.0317	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M"	0
"986032"	119.01331	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-H2O-H"	-19.01839
"73185"	91.0138573333333	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M-3H"	-3.021828
"507275"	137.024424	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M-3H"	-3.021828
"885075"	45.0032906666667	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-3H"	-3.021828
"10213"	137.024424	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M-2H"	-2.014552
"450870"	206.040274	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M-2H"	-2.014552
"827947"	68.008574	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-2H"	-2.014552
"92316"	275.056124	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M-H"	-1.007276
"531146"	413.087824	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M-H"	-1.007276
"902747"	137.024424	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-H"	-1.007276
"58588"	292.082671	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M-2H+NH4"	16.019271
"500700"	430.114371	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M-2H+NH4"	16.019271
"875950"	154.050971	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-2H+NH4"	16.019271
"44943"	297.038066	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M-2H+Na"	20.974666
"484867"	435.069766	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M-2H+Na"	20.974666
"863279"	159.006366	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-2H+Na"	20.974666
"1630744"	159.006366	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Na-2H"	20.974666
"102533"	155.012763	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M-H+Cl"	33.962126
"540999"	224.028613	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M-H+Cl"	33.962126
"935607"	85.996913	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-H+Cl"	33.962126
"273069"	311.032802	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+Cl"	34.969402
"662330"	449.064502	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+Cl"	34.969402
"1273393"	173.001102	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Cl"	34.969402
"15715"	313.012006	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M-2H+K"	36.948606
"457093"	451.043706	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M-2H+K"	36.948606
"833800"	174.980306	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-2H+K"	36.948606
"1555601"	174.980306	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+K-2H"	36.948606
"944201"	183.029894	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-H+HCOOH"	44.998194
"367765"	321.061601	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+HCOOH-H"	44.998201
"348004"	335.077251	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+Hac-H"	59.013851
"1497567"	197.045551	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Hac-H"	59.013851
"965477"	205.011851	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-H+NaCOOH"	66.980151
"114386"	173.001102	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+2Cl"	69.938804
"552849"	242.016952	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+2Cl"	69.938804
"1024563"	103.985252	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2Cl"	69.938804
"1254726"	216.950585	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Br"	78.918885
"1318633"	219.006572	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Cl+HCOOH"	80.974872
"1333938"	240.988529	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Cl+NaCOOH"	102.956829
"922077"	251.017286	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M-H+CF3COOH"	112.985586
"1297692"	286.993964	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Cl+CF3COOH"	148.962264
"1371114"	103.019024	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H-2H2O"	-35.012676
"1390071"	121.029	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H-H2O"	-17.0027
"290850"	277.070676	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+H"	1.007276
"683276"	415.102376	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+H"	1.007276
"1363999"	139.038976	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H"	1.007276
"135793"	139.038976	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+2H"	2.014552
"570979"	208.054826	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+2H"	2.014552
"1043059"	70.023126	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2H"	2.014552
"209868"	93.0284093333333	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+3H"	3.021828
"649428"	139.038976	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+3H"	3.021828
"1177046"	47.0178426666667	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+3H"	3.021828
"438494"	294.097223	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+NH4"	18.033823
"800830"	432.128923	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+NH4"	18.033823
"1696189"	156.065523	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+NH4"	18.033823
"344102"	147.5522495	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+H+NH4"	19.041099
"736167"	216.5680995	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+H+NH4"	19.041099
"1490345"	78.5363995	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H+NH4"	19.041099
"407205"	299.052618	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+Na"	22.989218
"766743"	437.084318	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+Na"	22.989218
"1613747"	161.020918	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Na"	22.989218
"324876"	150.029947	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+H+Na"	23.996494
"720942"	219.045797	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+H+Na"	23.996494
"1476221"	81.014097	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H+Na"	23.996494
"1067403"	54.3451566666667	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2H+Na"	25.00377
"1268955"	171.065186	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+CH3OH+H"	33.033486
"388984"	315.026558	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+K"	38.963158
"750347"	453.058258	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+K"	38.963158
"1554228"	176.994858	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+K"	38.963158
"310672"	158.016917	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+H+K"	39.970434
"705649"	227.032767	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+H+K"	39.970434
"1459835"	89.001067	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H+K"	39.970434
"250955"	318.097226	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+ACN+H"	42.033826
"1221880"	180.065526	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+ACN+H"	42.033826
"1204305"	90.536401	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+ACN+2H"	43.041102
"192803"	321.03456	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+2Na-H"	44.97116
"636373"	459.06626	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+2Na-H"	44.97116
"1144253"	183.00286	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2Na-H"	44.97116
"186449"	161.020918	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+2Na"	45.978436
"626374"	230.036768	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+2Na"	45.978436
"1129879"	92.005068	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2Na"	45.978436
"1411581"	61.6724706666667	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H+2Na"	46.985712
"1440780"	185.044446	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H+HCOOH"	47.012746
"231204"	166.05394	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+3H2O+2H"	56.04448
"1523277"	199.09649	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+IsoProp+H"	61.06479
"423982"	169.007888	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+Na+K"	61.952376
"782138"	238.023738	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+Na+K"	61.952376
"1677374"	99.992038	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Na+K"	61.952376
"267076"	340.079168	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+ACN+Na"	64.015768
"1240619"	202.047468	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+ACN+Na"	64.015768
"1726954"	202.070993	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+NH4+HCOOH"	64.039293
"1193046"	68.9997846666667	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+3Na"	68.967654
"1664395"	207.026388	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Na+HCOOH"	68.994688
"171615"	352.98244	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+2K-H"	76.91904
"611540"	491.01414	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+2K-H"	76.91904
"1096780"	214.95074	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2K-H"	76.91904
"154684"	176.994858	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"2M+2K"	77.926316
"594985"	246.010708	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"3M+2K"	77.926316
"1083148"	107.979008	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2K"	77.926316
"1114530"	216.965292	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2K+H"	78.933592
"1350192"	217.052907	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+DMSO+H"	79.021207
"1018717"	221.092076	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2ACN+H"	83.060376
"1539780"	222.085708	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+IsoProp+Na+H"	84.054008
"1005361"	111.049676	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+2ACN+2H"	84.067652
"1601927"	223.000328	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+K+HCOOH"	84.968628
"1429529"	253.031838	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+H+CF3COOH"	115.000138
"1161758"	131.562951	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+3ACN+2H"	125.094202
"1712644"	270.058385	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+NH4+CF3COOH"	132.026685
"1645498"	275.01378	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+Na+CF3COOH"	136.98208
"1582242"	290.98772	"C00805"	"Salicylate;o-Hydroxybenzoic acid;Salicylic acid"	"C7H6O3"	"138.0317"	"M+K+CF3COOH"	152.95602
"809329"	204.0899	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M"	0
"980674"	185.07151	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H2O-H"	-19.01839
"70007"	135.052657333333	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-3H"	-3.021828
"512849"	203.082624	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-3H"	-3.021828
"885183"	67.0226906666667	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-3H"	-3.021828
"3758"	203.082624	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H"	-2.014552
"441131"	305.127574	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H"	-2.014552
"829880"	101.037674	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H"	-2.014552
"92915"	407.172524	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-H"	-1.007276
"531256"	611.262424	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-H"	-1.007276
"906137"	203.082624	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H"	-1.007276
"58697"	424.199071	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H+NH4"	16.019271
"500691"	628.288971	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H+NH4"	16.019271
"877153"	220.109171	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H+NH4"	16.019271
"45541"	429.154466	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H+Na"	20.974666
"485343"	633.244366	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H+Na"	20.974666
"863716"	225.064566	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H+Na"	20.974666
"1632677"	225.064566	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na-2H"	20.974666
"102643"	221.070963	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-H+Cl"	33.962126
"541109"	323.115913	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-H+Cl"	33.962126
"935717"	119.026013	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+Cl"	33.962126
"274272"	443.149202	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Cl"	34.969402
"660855"	647.239102	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+Cl"	34.969402
"1273381"	239.059302	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl"	34.969402
"16297"	445.128406	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M-2H+K"	36.948606
"457203"	649.218306	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M-2H+K"	36.948606
"833423"	241.038506	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-2H+K"	36.948606
"1556669"	241.038506	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K-2H"	36.948606
"943091"	249.088094	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+HCOOH"	44.998194
"367146"	453.178001	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+HCOOH-H"	44.998201
"349572"	467.193651	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Hac-H"	59.013851
"1498041"	263.103751	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Hac-H"	59.013851
"964128"	271.070051	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+NaCOOH"	66.980151
"110965"	239.059302	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2Cl"	69.938804
"553687"	341.104252	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2Cl"	69.938804
"1022850"	137.014352	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2Cl"	69.938804
"1256865"	283.008785	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Br"	78.918885
"1319192"	285.064772	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl+HCOOH"	80.974872
"1333320"	307.046729	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl+NaCOOH"	102.956829
"923281"	317.075486	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M-H+CF3COOH"	112.985586
"1296709"	353.052164	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Cl+CF3COOH"	148.962264
"1371588"	169.077224	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H-2H2O"	-35.012676
"1390179"	187.0872	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H-H2O"	-17.0027
"288772"	409.187076	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H"	1.007276
"686666"	613.276976	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H"	1.007276
"1365202"	205.097176	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H"	1.007276
"139183"	205.097176	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2H"	2.014552
"572182"	307.142126	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2H"	2.014552
"1046449"	103.052226	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2H"	2.014552
"214351"	137.067209333333	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+3H"	3.021828
"651724"	205.097176	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+3H"	3.021828
"1176792"	69.0372426666667	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+3H"	3.021828
"438604"	426.213623	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+NH4"	18.033823
"799601"	630.303523	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+NH4"	18.033823
"1696706"	222.123723	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+NH4"	18.033823
"344089"	213.6104495	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H+NH4"	19.041099
"736274"	315.6553995	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H+NH4"	19.041099
"1491184"	111.5654995	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+NH4"	19.041099
"406584"	431.169018	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Na"	22.989218
"765758"	635.258918	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+Na"	22.989218
"1614951"	227.079118	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na"	22.989218
"326079"	216.088147	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H+Na"	23.996494
"721661"	318.133097	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H+Na"	23.996494
"1475601"	114.043197	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+Na"	23.996494
"1067388"	76.3645566666667	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2H+Na"	25.00377
"1269428"	237.123386	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+CH3OH+H"	33.033486
"389094"	447.142958	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+K"	38.963158
"751550"	651.232858	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+K"	38.963158
"1547770"	243.053058	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K"	38.963158
"300205"	224.075117	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+H+K"	39.970434
"705759"	326.120067	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+H+K"	39.970434
"1459578"	122.030167	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+K"	39.970434
"250745"	450.213626	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+ACN+H"	42.033826
"1224421"	246.123726	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+ACN+H"	42.033826
"1207330"	123.565501	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+ACN+2H"	43.041102
"200203"	453.15096	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2Na-H"	44.97116
"639398"	657.24086	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2Na-H"	44.97116
"1146310"	249.06106	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2Na-H"	44.97116
"187941"	227.079118	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2Na"	45.978436
"627218"	329.124068	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2Na"	45.978436
"1129873"	125.034168	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2Na"	45.978436
"1413397"	83.6918706666667	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+2Na"	46.985712
"1444415"	251.102646	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+HCOOH"	47.012746
"231678"	232.11214	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+3H2O+2H"	56.04448
"1523023"	265.15469	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+IsoProp+H"	61.06479
"422716"	235.066088	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+Na+K"	61.952376
"784071"	337.111038	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+Na+K"	61.952376
"1679671"	133.021138	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na+K"	61.952376
"266933"	472.195568	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+ACN+Na"	64.015768
"1241056"	268.105668	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+ACN+Na"	64.015768
"1724876"	268.129193	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+NH4+HCOOH"	64.039293
"1193641"	91.0191846666667	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+3Na"	68.967654
"1664749"	273.084588	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na+HCOOH"	68.994688
"169904"	485.09884	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2K-H"	76.91904
"609101"	689.18874	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2K-H"	76.91904
"1096162"	281.00894	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2K-H"	76.91904
"152972"	243.053058	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"2M+2K"	77.926316
"595338"	345.098008	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"3M+2K"	77.926316
"1084141"	141.008108	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2K"	77.926316
"1114400"	283.023492	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2K+H"	78.933592
"1350789"	283.111107	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+DMSO+H"	79.021207
"1018464"	287.150276	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2ACN+H"	83.060376
"1539809"	288.143908	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+IsoProp+Na+H"	84.054008
"1004740"	144.078776	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+2ACN+2H"	84.067652
"1600821"	289.058528	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K+HCOOH"	84.968628
"1428668"	319.090038	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+H+CF3COOH"	115.000138
"1161504"	164.592051	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+3ACN+2H"	125.094202
"1711418"	336.116585	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+NH4+CF3COOH"	132.026685
"1648888"	341.07198	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+Na+CF3COOH"	136.98208
"1582352"	357.04592	"C00806"	"Tryptophan;alpha-Amino-beta-(3-indolyl)-propionic acid"	"C11H12N2O2"	"204.0899"	"M+K+CF3COOH"	152.95602
"806158"	152.1201	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M"	0
"977867"	133.10171	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"66837"	100.406124	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"505304"	151.112824	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"882011"	49.699424	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"6056"	151.112824	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"452913"	227.172874	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"831450"	75.052774	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"94043"	303.232924	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"531364"	455.353024	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"909172"	151.112824	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"60264"	320.259471	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"499824"	472.379571	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"876896"	168.139371	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"45525"	325.214866	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"484355"	477.334966	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"851221"	173.094766	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1620753"	173.094766	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"96553"	169.101163	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"541217"	245.161213	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"932545"	93.041113	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"270373"	339.209602	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"665711"	491.329702	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1273004"	187.089502	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"22858"	341.188806	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"460231"	493.308906	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"838763"	189.068706	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1558605"	189.068706	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"950865"	197.118294	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"367627"	349.238401	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"350777"	363.254051	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1501439"	211.133951	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"963509"	219.100251	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"112415"	187.089502	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"554891"	263.149552	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1025878"	111.029452	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1248011"	231.038985	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1309729"	233.094972	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1327955"	255.076929	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"920114"	265.105686	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1300832"	301.082364	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1376803"	117.107424	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1389198"	135.1174	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"295452"	305.247476	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"688964"	457.367576	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1364218"	153.127376	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H"	1.007276
"138199"	153.127376	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"573386"	229.187426	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1043281"	77.067326	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"207900"	102.420676	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"656584"	153.127376	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1173982"	51.713976	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"435432"	322.274023	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"798620"	474.394123	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1695683"	170.153923	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"343231"	161.6406495	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"736748"	237.7006995	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1488380"	85.5805995	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"404873"	327.229418	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"765869"	479.349518	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1610684"	175.109318	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"321814"	164.118347	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"714235"	240.178397	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1472430"	88.058297	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1062394"	59.04129	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1268445"	185.153586	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"390666"	343.203358	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"746920"	495.323458	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1544598"	191.083258	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+K"	38.963158
"313690"	172.105317	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"705505"	248.165367	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1460547"	96.045267	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"249393"	346.274026	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1218090"	194.153926	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1200883"	97.580601	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"197034"	349.21136	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"635500"	501.33146	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1146297"	197.09126	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"182297"	175.109318	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"626844"	251.169368	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1129986"	99.049268	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1413389"	66.368604	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1445018"	199.132846	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"235078"	180.14234	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1520951"	213.18489	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"422463"	183.096288	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"784185"	259.156338	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1679796"	107.036238	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"266684"	368.255968	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1240811"	216.135868	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1728034"	216.159393	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1192167"	73.695918	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1660598"	221.114788	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"169284"	381.15924	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"609575"	533.27934	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1095542"	229.03914	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"154551"	191.083258	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"596425"	267.143308	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1083855"	115.023208	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1113299"	231.053692	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1346033"	231.141307	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1018819"	235.180476	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1537063"	236.174108	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1005219"	118.093876	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1601540"	237.088728	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1427683"	267.120238	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1161979"	138.607151	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1711773"	284.146785	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1648877"	289.10218	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1582464"	305.07612	"C00808"	"()-Camphor;d-Camphor"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"806267"	152.1201	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M"	0
"977612"	133.10171	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"71322"	100.406124	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"507602"	151.112824	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"886496"	49.699424	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"5073"	151.112824	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"451200"	227.172874	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"830825"	75.052774	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"93700"	303.232924	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"533298"	455.353024	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"910861"	151.112824	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"61103"	320.259471	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"500297"	472.379571	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"878708"	168.139371	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"45998"	325.214866	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"485558"	477.334966	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"852424"	173.094766	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1621958"	173.094766	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"96299"	169.101163	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"539138"	245.161213	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"932655"	93.041113	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"267928"	339.209602	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"665821"	491.329702	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1273400"	187.089502	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"22968"	341.188806	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"460341"	493.308906	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"838508"	189.068706	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1558715"	189.068706	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"950611"	197.118294	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"372110"	349.238401	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"350524"	363.254051	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1502279"	211.133951	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"962527"	219.100251	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"113256"	187.089502	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"553545"	263.149552	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1024896"	111.029452	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1249214"	231.038985	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1309475"	233.094972	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1325878"	255.076929	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"918037"	265.105686	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1298025"	301.082364	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1371810"	117.107424	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1389308"	135.1174	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"296535"	305.247476	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"689074"	457.367576	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1365057"	153.127376	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H"	1.007276
"138309"	153.127376	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"571309"	229.187426	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1043391"	77.067326	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"210196"	102.420676	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"655965"	153.127376	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1174095"	51.713976	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"434448"	322.274023	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"798732"	474.394123	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1693971"	170.153923	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"344434"	161.6406495	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"737951"	237.7006995	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1490678"	85.5805995	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"406077"	327.229418	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"767072"	479.349518	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1609701"	175.109318	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"320831"	164.118347	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"711065"	240.178397	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1472540"	88.058297	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1062504"	59.04129	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1269648"	185.153586	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"390411"	343.203358	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"747030"	495.323458	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1542522"	191.083258	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+K"	38.963158
"307354"	172.105317	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"706915"	248.165367	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1459805"	96.045267	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"250596"	346.274026	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1224273"	194.153926	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1204273"	97.580601	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"201519"	349.21136	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"637796"	501.33146	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1146329"	197.09126	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"187511"	175.109318	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627805"	251.169368	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1129855"	99.049268	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1413015"	66.368604	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1445009"	199.132846	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"234703"	180.14234	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1523697"	213.18489	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"423795"	183.096288	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"784909"	259.156338	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1679905"	107.036238	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"266061"	368.255968	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1241040"	216.135868	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1726919"	216.159393	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1191542"	73.695918	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1663617"	221.114788	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"170118"	381.15924	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"609312"	533.27934	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1096741"	229.03914	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"154295"	191.083258	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"595315"	267.143308	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1082867"	115.023208	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1114502"	231.053692	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1348331"	231.141307	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1018320"	235.180476	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1537539"	236.174108	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1004353"	118.093876	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1600676"	237.088728	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1427793"	267.120238	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1160267"	138.607151	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1712713"	284.146785	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1646922"	289.10218	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1582574"	305.07612	"C00809"	"(-)-Camphor"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"804191"	88.0524	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M"	0
"974564"	69.03401	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"69246"	57.694324	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"503340"	87.045124	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"881140"	28.343524	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"2997"	87.045124	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"451310"	131.071324	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"829112"	43.018924	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"93933"	175.097524	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"532924"	263.149924	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"910608"	87.045124	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"62552"	192.124071	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"501017"	280.176471	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"878333"	104.071671	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"45015"	197.079466	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"483482"	285.131866	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"852534"	109.027066	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1623161"	109.027066	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"94707"	105.033463	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"534951"	149.059663	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"931672"	61.007263	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"267141"	211.074202	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"661556"	299.126602	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1272806"	123.021802	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"16516"	213.053406	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"455751"	301.105806	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"834000"	125.001006	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1555670"	125.001006	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"946346"	133.050594	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"372220"	221.103001	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"349541"	235.118651	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1504212"	147.066251	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"963730"	155.032551	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"113731"	123.021802	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"554019"	167.048002	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1024278"	78.995602	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1248231"	166.971285	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1309585"	169.027272	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1325988"	191.009229	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"920333"	201.037986	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1298135"	237.014664	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1374107"	53.039724	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1390511"	71.0497	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"297859"	177.112076	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"690277"	265.164476	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1362251"	89.059676	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"138419"	89.059676	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"571419"	133.085876	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1043501"	45.033476	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"210306"	59.708876	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"654257"	89.059676	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1174934"	30.358076	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"436386"	194.138623	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"793377"	282.191023	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1690799"	106.086223	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"337984"	97.5729495	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"727125"	141.5991495	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1480214"	53.5467495	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"395251"	199.094018	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"763902"	287.146418	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1615280"	111.041618	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"320942"	100.050647	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"711176"	144.076847	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1463903"	56.024447	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1062616"	37.68539	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1269757"	121.085886	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"392344"	215.067958	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"746047"	303.120358	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1543725"	127.015558	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"305277"	108.037617	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"702074"	152.063817	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1461241"	64.011417	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"248882"	218.138626	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1222681"	130.086226	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1201103"	65.546751	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"197253"	221.07596	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"636814"	309.12836	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1145059"	133.02356	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"185433"	111.041618	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"627914"	155.067818	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1130814"	67.015418	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1413892"	45.012704	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1444391"	135.065146	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"235305"	116.07464	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1523847"	149.11719	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"423655"	119.028588	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"784654"	163.054788	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1678922"	75.002388	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"265444"	240.120568	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1240457"	152.068168	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1728000"	152.091693	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1192745"	52.340018	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1663365"	157.047088	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"170590"	253.02384	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"609058"	341.07624	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1096851"	164.97144	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"153676"	127.015558	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"592509"	171.041758	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1083464"	82.989358	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1115303"	166.985992	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1348442"	167.073607	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1016974"	171.112776	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1538378"	172.106408	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"1004098"	86.060026	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1600057"	173.021028	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1426810"	203.052538	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1161471"	106.573301	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1710292"	220.079085	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1648125"	225.03448	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1582684"	241.00842	"C00810"	"(R)-Acetoin;(R)-2-Acetoin;(R)-3-Hydroxy-2-butanone;(R)-Dimethylketol;(R)-3-Hydroxybutan-2-one"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"803208"	164.0473	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M"	0
"976739"	145.02891	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"66076"	108.357590666667	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"505635"	163.040024	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"881612"	53.6751573333333	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"4200"	163.040024	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"447044"	245.063674	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"829222"	81.016374	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"94045"	327.087324	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"533034"	491.134624	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"907677"	163.040024	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"62296"	344.113871	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"499790"	508.161171	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"877348"	180.066571	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"42938"	349.069266	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"483592"	513.116566	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"855925"	185.021966	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1619261"	185.021966	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"94316"	181.028363	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"536078"	263.052013	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"927167"	99.004713	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"267127"	363.064002	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"660316"	527.111302	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1273084"	199.016702	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"16990"	365.043206	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"455777"	529.090506	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"833623"	200.995906	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1556381"	200.995906	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"946455"	209.045494	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"365768"	373.092801	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"349651"	387.108451	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1502500"	223.061151	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"961654"	231.027451	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"112747"	199.016702	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"553403"	281.040352	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1025845"	116.993052	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1244694"	242.966185	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1307509"	245.022172	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1322819"	267.004129	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"920443"	277.032886	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1297150"	313.009564	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1377498"	129.034624	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1390621"	147.0446	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"297971"	329.101876	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"689294"	493.149176	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1363455"	165.054576	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"135249"	165.054576	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"572622"	247.078226	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1044704"	83.030926	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"207135"	110.372142666667	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"655459"	165.054576	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1172859"	55.6897093333333	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"434312"	346.128423	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"792394"	510.175723	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1690910"	182.081123	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"338094"	173.5678495	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"728328"	255.5914995	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1483243"	91.5441995	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"394268"	351.083818	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"765105"	515.131118	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1613203"	187.036518	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"322146"	176.045547	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"713473"	258.069197	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1466201"	94.021897	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1061633"	63.0170233333333	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1269870"	197.080786	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"390634"	367.057758	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"749437"	531.105058	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1544928"	203.010458	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"305387"	184.032517	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"701091"	266.056167	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1460262"	102.008867	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"248993"	370.128426	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1220604"	206.081126	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1199027"	103.544201	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"198457"	373.06576	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"636924"	537.11306	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1145169"	209.01846	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"186762"	187.036518	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"627175"	269.060168	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1130677"	105.012868	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1412748"	70.3443373333333	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1443530"	211.060046	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"233590"	192.06954	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1522987"	225.11209	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"423158"	195.023488	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"784523"	277.047138	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1678301"	112.999838	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"264820"	392.110368	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1239354"	228.063068	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1727383"	228.086593	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1191398"	77.6716513333333	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1663843"	233.041988	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"169608"	405.01364	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"610261"	569.06094	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1096961"	240.96634	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"154515"	203.010458	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"594076"	285.034108	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1082598"	120.986808	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1115328"	242.980892	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1347459"	243.068507	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1018907"	247.107676	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1538124"	248.101308	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"1004936"	124.057476	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1601988"	249.015928	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1429470"	279.047438	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1161945"	144.570751	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1711858"	296.073985	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1648235"	301.02938	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1582794"	317.00332	"C00811"	"4-Coumarate;p-Coumaric acid;trans-4-Hydroxycinnamate;trans-p-Hydroxycinnamate;4-Hydroxycinnamic acid;4-Hydroxycinnamate"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"810974"	128.0222	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M"	0
"983413"	109.00381	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-H2O-H"	-19.01839
"66187"	84.3408573333333	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M-3H"	-3.021828
"504166"	127.014924	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M-3H"	-3.021828
"885738"	41.6667906666667	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-3H"	-3.021828
"13064"	127.014924	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M-2H"	-2.014552
"455311"	191.026024	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M-2H"	-2.014552
"832014"	63.003824	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-2H"	-2.014552
"93346"	255.037124	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M-H"	-1.007276
"532051"	383.059324	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M-H"	-1.007276
"906693"	127.014924	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-H"	-1.007276
"53779"	272.063671	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M-2H+NH4"	16.019271
"500628"	400.085871	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M-2H+NH4"	16.019271
"875148"	144.041471	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-2H+NH4"	16.019271
"43049"	277.019066	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M-2H+Na"	20.974666
"480422"	405.041266	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M-2H+Na"	20.974666
"854944"	148.996866	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-2H+Na"	20.974666
"1622290"	148.996866	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Na-2H"	20.974666
"94722"	145.003263	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M-H+Cl"	33.962126
"534762"	209.014363	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M-H+Cl"	33.962126
"930799"	80.992163	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-H+Cl"	33.962126
"269354"	291.013802	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+Cl"	34.969402
"662869"	419.036002	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+Cl"	34.969402
"1277463"	162.991602	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Cl"	34.969402
"16614"	292.993006	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M-2H+K"	36.948606
"461768"	421.015206	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M-2H+K"	36.948606
"833369"	164.970806	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-2H+K"	36.948606
"1559049"	164.970806	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+K-2H"	36.948606
"953134"	173.020394	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-H+HCOOH"	44.998194
"371348"	301.042601	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+HCOOH-H"	44.998201
"357060"	315.058251	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+Hac-H"	59.013851
"1506985"	187.036051	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Hac-H"	59.013851
"968327"	195.002351	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-H+NaCOOH"	66.980151
"118328"	162.991602	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+2Cl"	69.938804
"560805"	227.002702	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+2Cl"	69.938804
"1027781"	98.980502	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2Cl"	69.938804
"1250641"	206.941085	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Br"	78.918885
"1309809"	208.997072	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Cl+HCOOH"	80.974872
"1335089"	230.979029	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Cl+NaCOOH"	102.956829
"922742"	241.007786	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M-H+CF3COOH"	112.985586
"1299449"	276.984464	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Cl+CF3COOH"	148.962264
"1375425"	93.009524	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H-2H2O"	-35.012676
"1395112"	111.0195	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H-H2O"	-17.0027
"298380"	257.051676	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+H"	1.007276
"688313"	385.073876	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+H"	1.007276
"1363566"	129.029476	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H"	1.007276
"139735"	129.029476	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+2H"	2.014552
"580029"	193.040576	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+2H"	2.014552
"1047002"	65.018376	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2H"	2.014552
"216738"	86.3554093333333	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+3H"	3.021828
"655571"	129.029476	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+3H"	3.021828
"1173696"	43.6813426666667	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+3H"	3.021828
"434786"	274.078223	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+NH4"	18.033823
"796510"	402.100423	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+NH4"	18.033823
"1689928"	146.056023	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+NH4"	18.033823
"341484"	137.5427495	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+H+NH4"	19.041099
"727345"	201.5538495	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+H+NH4"	19.041099
"1478976"	73.5316495	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H+NH4"	19.041099
"395470"	279.033618	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+Na"	22.989218
"759747"	407.055818	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+Na"	22.989218
"1605657"	151.011418	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Na"	22.989218
"321161"	140.020447	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+H+Na"	23.996494
"713581"	204.031547	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+H+Na"	23.996494
"1472869"	76.009347	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H+Na"	23.996494
"1061743"	51.0086566666667	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2H+Na"	25.00377
"1269619"	161.055686	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+CH3OH+H"	33.033486
"388924"	295.007558	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+K"	38.963158
"751372"	423.029758	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+K"	38.963158
"1549414"	166.985358	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+K"	38.963158
"305499"	148.007417	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+H+K"	39.970434
"706187"	212.018517	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+H+K"	39.970434
"1455031"	83.996317	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H+K"	39.970434
"244725"	298.078226	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+ACN+H"	42.033826
"1217440"	170.056026	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+ACN+H"	42.033826
"1200230"	85.531651	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+ACN+2H"	43.041102
"197474"	301.01556	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+2Na-H"	44.97116
"637035"	429.03776	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+2Na-H"	44.97116
"1143821"	172.99336	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2Na-H"	44.97116
"187602"	151.011418	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+2Na"	45.978436
"627403"	215.022518	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+2Na"	45.978436
"1128725"	87.000318	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2Na"	45.978436
"1411885"	58.3359706666667	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H+2Na"	46.985712
"1443513"	175.034946	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H+HCOOH"	47.012746
"233699"	156.04444	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+3H2O+2H"	56.04448
"1522126"	189.08699	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+IsoProp+H"	61.06479
"420720"	158.998388	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+Na+K"	61.952376
"783174"	223.009488	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+Na+K"	61.952376
"1679141"	94.987288	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Na+K"	61.952376
"266026"	320.060168	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+ACN+Na"	64.015768
"1239826"	192.037968	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+ACN+Na"	64.015768
"1724698"	192.061493	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+NH4+HCOOH"	64.039293
"1192361"	65.6632846666667	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+3Na"	68.967654
"1662131"	197.016888	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Na+HCOOH"	68.994688
"170083"	332.96344	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+2K-H"	76.91904
"608916"	460.98564	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+2K-H"	76.91904
"1097814"	204.94124	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2K-H"	76.91904
"155845"	166.985358	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"2M+2K"	77.926316
"595774"	230.996458	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"3M+2K"	77.926316
"1083079"	102.974258	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2K"	77.926316
"1111182"	206.955792	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2K+H"	78.933592
"1350728"	207.043407	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+DMSO+H"	79.021207
"1019378"	211.082576	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2ACN+H"	83.060376
"1538597"	212.076208	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+IsoProp+Na+H"	84.054008
"1001763"	106.044926	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+2ACN+2H"	84.067652
"1600641"	212.990828	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+K+HCOOH"	84.968628
"1425206"	243.022338	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+H+CF3COOH"	115.000138
"1161326"	126.558201	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+3ACN+2H"	125.094202
"1711240"	260.048885	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+NH4+CF3COOH"	132.026685
"1642879"	265.00428	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+Na+CF3COOH"	136.98208
"1573428"	280.97822	"C00813"	"Barbiturate;Barbituric acid;Malonylurea"	"C4H4N2O3"	"128.0222"	"M+K+CF3COOH"	152.95602
"804522"	284.0685	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M"	0
"976962"	265.05011	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"66297"	188.371724	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"504763"	283.061224	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"884755"	93.682224	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"13539"	283.061224	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"455339"	425.095474	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"832722"	141.026974	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"93575"	567.129724	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"526816"	851.198224	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"906804"	283.061224	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"56803"	584.156271	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"499646"	868.224771	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"871979"	300.087771	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"45346"	589.111666	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"480532"	873.180166	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"855054"	305.043166	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1623492"	305.043166	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"95888"	301.049563	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"535193"	443.083813	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"929816"	159.015313	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"270193"	603.106402	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"662615"	887.174902	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1277573"	319.037902	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"16846"	605.085606	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"462971"	889.154106	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"833600"	321.017106	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1559159"	321.017106	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"954337"	329.066694	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"370365"	613.135201	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"360089"	627.150851	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1505273"	343.082351	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"968437"	351.048651	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"118438"	319.037902	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"561279"	461.072152	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1027891"	177.003652	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1251845"	362.987385	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1312106"	365.043372	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1333985"	387.025329	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"922853"	397.054086	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1300653"	433.030764	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1376628"	249.055824	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1397412"	267.0658	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"298355"	569.144276	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"689516"	853.212776	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1362583"	285.075776	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"137659"	285.075776	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"579410"	427.110026	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1048206"	143.041526	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"217214"	190.386276	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"656774"	285.075776	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1173812"	95.696776	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"435988"	586.170823	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"794798"	870.239323	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1694046"	302.102323	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"338314"	293.5890495	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"729643"	435.6232995	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1480182"	151.5547995	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"394488"	591.126218	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"757669"	875.194718	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1607954"	307.057718	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"322365"	296.066747	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"710413"	438.100997	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1467515"	154.032497	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1064041"	103.02409	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1270455"	317.101986	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"391220"	607.100158	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"753304"	891.168658	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1549524"	323.031658	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"305609"	304.053717	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"706052"	446.087967	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1456235"	162.019467	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"247022"	610.170826	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1218639"	326.102326	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1199248"	163.554801	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"195397"	613.10816	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"639333"	897.17666	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1140651"	329.03966	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"186373"	307.057718	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"626052"	449.091968	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1129564"	165.023468	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1411629"	110.351404	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1444594"	331.081246	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"233444"	312.09074	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1521872"	345.13329	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"421924"	315.044688	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"781097"	457.078938	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1678521"	173.010438	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"265406"	632.152768	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1240304"	348.084268	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1727361"	348.107793	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1191619"	117.678718	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1661512"	353.063188	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"169829"	645.05604	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"608659"	929.12454	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1096828"	360.98754	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"155102"	323.031658	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"596574"	465.065908	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1083070"	180.997408	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1104732"	363.002092	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1349865"	363.089707	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1020582"	367.128876	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1537613"	368.122508	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"1002966"	184.068076	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1598564"	369.037128	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1427504"	399.068638	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1161799"	204.581351	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1712079"	416.095185	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1642989"	421.05058	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1573174"	437.02452	"C00814"	"Biochanin A"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"803539"	148.0372	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M"	0
"975361"	129.01881	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"64214"	97.6841906666667	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"508144"	147.029924	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"884865"	48.3384573333333	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"14743"	147.029924	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"455486"	221.048524	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"832399"	73.011324	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"94089"	295.067124	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"530206"	443.104324	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"909830"	147.029924	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"56913"	312.093671	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"499756"	460.130871	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"878167"	164.056471	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"43268"	317.049066	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"480642"	465.086266	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"855163"	169.011866	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1621415"	169.011866	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"97943"	165.018263	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"535556"	239.036863	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"931020"	90.999663	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"269331"	331.043802	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"663818"	479.081002	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1277683"	183.006602	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"16955"	333.023006	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"463081"	481.060206	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"835413"	184.985806	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1558539"	184.985806	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"955541"	193.035394	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"371568"	341.072601	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"359105"	355.088251	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1505384"	207.051051	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"969642"	215.017351	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"118548"	183.006602	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"558109"	257.025202	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1028001"	108.988002	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1250862"	226.956085	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1311123"	229.012072	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1331902"	250.994029	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"925151"	261.022786	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1303315"	296.999464	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1375645"	113.024524	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1397846"	131.0345	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"297570"	297.081676	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"689626"	445.118876	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1360507"	149.044476	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"136676"	149.044476	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"580249"	223.063076	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1046130"	75.025876	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"218054"	99.6987426666667	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"657614"	149.044476	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1176471"	50.3530093333333	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"437919"	314.108223	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"797095"	462.145423	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1690147"	166.071023	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"336238"	157.5577495	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"728660"	231.5763495	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1478832"	83.5391495	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"398972"	319.063618	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"761060"	467.100818	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1610251"	171.026418	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"321383"	160.035447	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"714898"	234.054047	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1465803"	86.016847	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1065245"	57.6803233333333	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1268747"	181.070686	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"389506"	335.037558	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"750863"	483.074758	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1549634"	187.000358	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"305718"	168.022417	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"705434"	242.041017	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1457437"	94.003817	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"246038"	338.108226	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1216562"	190.071026	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1203725"	95.539151	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"202066"	341.04556	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"641626"	489.08276	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1145134"	193.00836	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"187818"	171.026418	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"626890"	245.045018	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1130404"	97.007818	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1412103"	65.0076373333333	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1442759"	195.049946	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"233920"	176.05944	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1523078"	209.10199	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"422765"	179.013388	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"783393"	253.031988	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1680331"	104.994788	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"266610"	360.090168	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1240898"	212.052968	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1727474"	212.076493	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1191364"	72.3349513333333	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1660529"	217.031888	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"167388"	372.99344	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"607676"	521.03064	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1099369"	224.95624	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"154117"	187.000358	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"596480"	261.018958	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1084033"	112.981758	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1104842"	226.970792	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1349854"	227.058407	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1020696"	231.097576	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1532256"	232.091208	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"1005269"	116.052426	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1602200"	233.005828	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1429437"	263.037338	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1162273"	136.565701	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1712609"	280.063885	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1645286"	285.01928	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1573284"	300.99322	"C00815"	"Citramalate;Citramalic acid;alpha-Hydroxypyrotartaric acid;2-Methylmalic acid"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"804014"	196.0583	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M"	0
"978272"	177.03991	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"64690"	129.698257333333	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"515923"	195.051024	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"895446"	64.3454906666667	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"15556"	195.051024	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"455432"	293.080174	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"832714"	97.021874	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"87477"	391.109324	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"529223"	587.167624	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"904838"	195.051024	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"59211"	408.135871	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"497680"	604.194171	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"872200"	212.077571	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"36820"	413.091266	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"480753"	609.149566	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"858555"	217.032966	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1622619"	217.032966	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"101335"	213.039363	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"543084"	311.068513	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"931131"	115.010213	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"269687"	427.086002	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"661499"	623.144302	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1272841"	231.027702	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"19620"	429.065206	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"459910"	625.123506	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"837713"	233.006906	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1570328"	233.006906	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"956746"	241.056494	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"377089"	437.114801	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"359942"	451.130451	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1506221"	255.072151	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"973725"	263.038451	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"123035"	231.027702	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"559312"	329.056852	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1034676"	132.998552	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1252066"	274.977185	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1319868"	277.033172	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1335385"	299.015129	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"927050"	309.043886	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1303063"	345.020564	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1382679"	161.045624	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1397631"	179.0556	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"298326"	393.123876	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"691245"	589.182176	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1366949"	197.065576	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"138975"	197.065576	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"581090"	295.094726	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1049535"	99.036426	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"215248"	131.712809333333	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"652621"	197.065576	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1175850"	66.3600426666667	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"439410"	410.150423	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"798298"	606.208723	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1690257"	214.092123	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"340721"	205.5788495	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"727677"	303.6079995	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1481860"	107.5496995	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"396165"	415.105818	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"758982"	611.164118	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1609269"	219.047518	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"321493"	208.056547	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"711727"	306.085697	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1469922"	110.027397	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1065720"	73.6873566666667	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1271044"	229.091786	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"389980"	431.079758	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"751341"	627.138058	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1553396"	235.021458	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"313368"	216.043517	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"700448"	314.072667	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1456453"	118.014367	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"242872"	434.150426	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1216675"	238.092126	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1202745"	119.549701	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"199991"	437.08776	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"641738"	633.14606	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1141964"	241.02946	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"186349"	219.047518	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"628261"	317.076668	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1130031"	121.018368	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1413795"	81.0146706666667	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1445389"	243.071046	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"235486"	224.08054	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1524034"	257.12309	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"423964"	227.034488	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"783136"	325.063638	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1679831"	129.005338	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"265626"	456.132368	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1238700"	260.074068	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1728232"	260.097593	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1193874"	88.3419846666667	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1663558"	265.052988	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"169689"	469.03564	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"611691"	665.09394	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1099361"	272.97734	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"155816"	235.021458	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"592698"	333.050608	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1082556"	136.992308	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1114677"	274.991892	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1346803"	275.079507	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1014241"	279.118676	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1537834"	280.112308	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"1005421"	140.062976	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1594409"	281.026928	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1424443"	311.058438	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1159105"	160.576251	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1702094"	328.084985	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1647586"	333.04038	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1583236"	349.01432	"C00817"	"D-Altronate"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"803760"	210.0376	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M"	0
"974399"	191.01921	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-H2O-H"	-19.01839
"63342"	139.017790666667	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M-3H"	-3.021828
"517492"	209.030324	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M-3H"	-3.021828
"893475"	69.0052573333333	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-3H"	-3.021828
"14966"	209.030324	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M-2H"	-2.014552
"452702"	314.049124	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M-2H"	-2.014552
"831599"	104.011524	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-2H"	-2.014552
"89774"	419.067924	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M-H"	-1.007276
"529333"	629.105524	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M-H"	-1.007276
"904948"	209.030324	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-H"	-1.007276
"58228"	436.094471	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M-2H+NH4"	16.019271
"498884"	646.132071	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M-2H+NH4"	16.019271
"875591"	226.056871	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-2H+NH4"	16.019271
"42397"	441.049866	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M-2H+Na"	20.974666
"477583"	651.087466	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M-2H+Na"	20.974666
"858665"	231.012266	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-2H+Na"	20.974666
"1619450"	231.012266	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Na-2H"	20.974666
"99259"	227.018663	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M-H+Cl"	33.962126
"543194"	332.037463	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M-H+Cl"	33.962126
"931241"	121.999863	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-H+Cl"	33.962126
"270160"	455.044602	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+Cl"	34.969402
"660141"	665.082202	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+Cl"	34.969402
"1272797"	245.007002	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Cl"	34.969402
"19001"	457.023806	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M-2H+K"	36.948606
"456736"	667.061406	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M-2H+K"	36.948606
"837093"	246.986206	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-2H+K"	36.948606
"1568974"	246.986206	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+K-2H"	36.948606
"953575"	255.035794	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-H+HCOOH"	44.998194
"375441"	465.073401	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+HCOOH-H"	44.998201
"358956"	479.089051	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+Hac-H"	59.013851
"1503413"	269.051451	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Hac-H"	59.013851
"971687"	277.017751	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-H+NaCOOH"	66.980151
"120957"	245.007002	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+2Cl"	69.938804
"556142"	350.025802	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+2Cl"	69.938804
"1032599"	139.988202	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2Cl"	69.938804
"1250717"	288.956485	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Br"	78.918885
"1319739"	291.012472	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Cl+HCOOH"	80.974872
"1334555"	312.994429	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Cl+NaCOOH"	102.956829
"925736"	323.023186	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M-H+CF3COOH"	112.985586
"1298797"	358.999864	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Cl+CF3COOH"	148.962264
"1379151"	175.024924	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H-2H2O"	-35.012676
"1396646"	193.0349	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H-H2O"	-17.0027
"296698"	421.082476	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+H"	1.007276
"687660"	631.120076	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+H"	1.007276
"1365103"	211.044876	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H"	1.007276
"137992"	211.044876	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+2H"	2.014552
"580228"	316.063676	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+2H"	2.014552
"1045275"	106.026076	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2H"	2.014552
"214267"	141.032342666667	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+3H"	3.021828
"653831"	211.044876	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+3H"	3.021828
"1171955"	71.0198093333333	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+3H"	3.021828
"435227"	438.109023	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+NH4"	18.033823
"797314"	648.146623	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+NH4"	18.033823
"1688180"	228.071423	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+NH4"	18.033823
"338645"	219.5581495	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+H+NH4"	19.041099
"725236"	324.5769495	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+H+NH4"	19.041099
"1480512"	114.5393495	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H+NH4"	19.041099
"393478"	443.064418	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+Na"	22.989218
"757999"	653.102018	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+Na"	22.989218
"1605006"	233.026818	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Na"	22.989218
"317230"	222.035847	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+H+Na"	23.996494
"712929"	327.054647	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+H+Na"	23.996494
"1467844"	117.017047	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H+Na"	23.996494
"1059994"	78.3471233333333	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2H+Na"	25.00377
"1267868"	243.071086	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+CH3OH+H"	33.033486
"383525"	459.038358	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+K"	38.963158
"749626"	669.075958	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+K"	38.963158
"1553140"	249.000758	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+K"	38.963158
"310318"	230.022817	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+H+K"	39.970434
"699463"	335.041617	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+H+K"	39.970434
"1457657"	125.004017	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H+K"	39.970434
"244075"	462.109026	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+ACN+H"	42.033826
"1215692"	252.071426	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+ACN+H"	42.033826
"1200667"	126.539351	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+ACN+2H"	43.041102
"199010"	465.04636	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+2Na-H"	44.97116
"637476"	675.08396	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+2Na-H"	44.97116
"1142074"	255.00876	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2Na-H"	44.97116
"185365"	233.026818	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+2Na"	45.978436
"627479"	338.045618	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+2Na"	45.978436
"1131110"	128.008018	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2Na"	45.978436
"1413416"	85.6744373333333	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H+2Na"	46.985712
"1443710"	257.050346	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H+HCOOH"	47.012746
"235230"	238.05984	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+3H2O+2H"	56.04448
"1524108"	271.10239	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+IsoProp+H"	61.06479
"424037"	241.013788	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+Na+K"	61.952376
"783610"	346.032588	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+Na+K"	61.952376
"1679576"	135.994988	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Na+K"	61.952376
"266098"	484.090968	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+ACN+Na"	64.015768
"1241117"	274.053368	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+ACN+Na"	64.015768
"1725866"	274.076893	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+NH4+HCOOH"	64.039293
"1194074"	93.0017513333333	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+3Na"	68.967654
"1662210"	279.032288	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Na+HCOOH"	68.994688
"169070"	496.99424	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+2K-H"	76.91904
"612659"	707.03184	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+2K-H"	76.91904
"1099841"	286.95664	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2K-H"	76.91904
"156659"	249.000758	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"2M+2K"	77.926316
"594993"	354.019558	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"3M+2K"	77.926316
"1083848"	143.981958	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2K"	77.926316
"1115592"	288.971192	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2K+H"	78.933592
"1349101"	289.058807	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+DMSO+H"	79.021207
"1017631"	293.097976	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2ACN+H"	83.060376
"1534663"	294.091608	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+IsoProp+Na+H"	84.054008
"1003295"	147.052626	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+2ACN+2H"	84.067652
"1594519"	295.006228	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+K+HCOOH"	84.968628
"1427832"	325.037738	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+H+CF3COOH"	115.000138
"1161400"	167.565901	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+3ACN+2H"	125.094202
"1702204"	342.064285	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+NH4+CF3COOH"	132.026685
"1647696"	347.01968	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+Na+CF3COOH"	136.98208
"1583346"	362.99362	"C00818"	"D-Glucarate;D-Glucaric acid;L-Gularic acid;D-Saccharic acid;D-Glucosaccharic acid;Glucaric acid;Glucarate"	"C6H10O8"	"210.0376"	"M+K+CF3COOH"	152.95602
"803870"	146.0691	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M"	0
"975211"	127.05071	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H2O-H"	-19.01839
"64544"	96.372124	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-3H"	-3.021828
"510675"	145.061824	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-3H"	-3.021828
"889569"	47.682424	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-3H"	-3.021828
"14349"	145.061824	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H"	-2.014552
"452811"	218.096374	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H"	-2.014552
"827695"	72.027274	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H"	-2.014552
"93287"	291.130924	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-H"	-1.007276
"531509"	437.200024	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-H"	-1.007276
"905058"	145.061824	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H"	-1.007276
"60283"	308.157471	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+NH4"	16.019271
"496807"	454.226571	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+NH4"	16.019271
"874607"	162.088371	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+NH4"	16.019271
"40320"	313.112866	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+Na"	20.974666
"477693"	459.181966	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+Na"	20.974666
"858775"	167.043766	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+Na"	20.974666
"1620652"	167.043766	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na-2H"	20.974666
"99733"	163.050163	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-H+Cl"	33.962126
"543304"	236.084713	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-H+Cl"	33.962126
"932079"	90.015613	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+Cl"	33.962126
"270634"	327.107602	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Cl"	34.969402
"661596"	473.176702	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Cl"	34.969402
"1273999"	181.038502	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl"	34.969402
"19839"	329.086806	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M-2H+K"	36.948606
"458668"	475.155906	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M-2H+K"	36.948606
"836838"	183.017706	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-2H+K"	36.948606
"1567989"	183.017706	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K-2H"	36.948606
"954778"	191.067294	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+HCOOH"	44.998194
"375551"	337.136401	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+HCOOH-H"	44.998201
"357972"	351.152051	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Hac-H"	59.013851
"1499150"	205.082951	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Hac-H"	59.013851
"971433"	213.049251	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+NaCOOH"	66.980151
"121067"	181.038502	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Cl"	69.938804
"556252"	254.073052	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Cl"	69.938804
"1034895"	108.003952	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Cl"	69.938804
"1251920"	224.987985	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Br"	78.918885
"1319234"	227.043972	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+HCOOH"	80.974872
"1334665"	249.025929	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+NaCOOH"	102.956829
"926574"	259.054686	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M-H+CF3COOH"	112.985586
"1298907"	295.031364	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Cl+CF3COOH"	148.962264
"1377073"	111.056424	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H-2H2O"	-35.012676
"1393477"	129.0664	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H-H2O"	-17.0027
"295350"	293.145476	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H"	1.007276
"685582"	439.214576	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H"	1.007276
"1361931"	147.076376	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H"	1.007276
"137007"	147.076376	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2H"	2.014552
"574381"	220.110926	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2H"	2.014552
"1051215"	74.041826	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2H"	2.014552
"214380"	98.386676	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+3H"	3.021828
"652848"	147.076376	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+3H"	3.021828
"1176801"	49.696976	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3H"	3.021828
"438617"	310.172023	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+NH4"	18.033823
"798519"	456.241123	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+NH4"	18.033823
"1694848"	164.102923	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4"	18.033823
"338753"	155.5896495	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+NH4"	19.041099
"730085"	228.6241995	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+NH4"	19.041099
"1480625"	82.5550995	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+NH4"	19.041099
"393384"	315.127418	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Na"	22.989218
"759204"	461.196518	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Na"	22.989218
"1606211"	169.058318	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na"	22.989218
"319526"	158.067347	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+Na"	23.996494
"713040"	231.101897	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+Na"	23.996494
"1470141"	85.032797	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+Na"	23.996494
"1062289"	57.02429	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2H+Na"	25.00377
"1269800"	179.102586	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+CH3OH+H"	33.033486
"382542"	331.101358	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+K"	38.963158
"750829"	477.170458	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+K"	38.963158
"1553616"	185.032258	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K"	38.963158
"312617"	166.054317	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+H+K"	39.970434
"700667"	239.088867	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+H+K"	39.970434
"1458132"	93.019767	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+K"	39.970434
"240905"	334.172026	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+ACN+H"	42.033826
"1219082"	188.102926	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+H"	42.033826
"1199683"	94.555101	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+2H"	43.041102
"199120"	337.10936	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Na-H"	44.97116
"636492"	483.17846	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Na-H"	44.97116
"1141091"	191.04026	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Na-H"	44.97116
"182925"	169.058318	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2Na"	45.978436
"625039"	242.092868	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2Na"	45.978436
"1130249"	96.023768	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2Na"	45.978436
"1411340"	64.351604	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+2Na"	46.985712
"1445449"	193.081846	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+HCOOH"	47.012746
"235467"	174.09134	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+3H2O+2H"	56.04448
"1523768"	207.13389	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+IsoProp+H"	61.06479
"422727"	177.045288	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+Na+K"	61.952376
"785648"	250.079838	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+Na+K"	61.952376
"1680052"	104.010738	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+K"	61.952376
"266655"	356.153968	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+ACN+Na"	64.015768
"1240010"	210.084868	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+ACN+Na"	64.015768
"1724883"	210.108393	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4+HCOOH"	64.039293
"1194153"	71.678918	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3Na"	68.967654
"1661956"	215.063788	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+HCOOH"	68.994688
"168816"	369.05724	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2K-H"	76.91904
"612768"	515.12634	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2K-H"	76.91904
"1099547"	222.98814	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K-H"	76.91904
"157054"	185.032258	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"2M+2K"	77.926316
"592918"	258.066808	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"3M+2K"	77.926316
"1084091"	111.997708	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K"	77.926316
"1115260"	225.002692	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2K+H"	78.933592
"1351124"	225.090307	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+DMSO+H"	79.021207
"1018835"	229.129476	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2ACN+H"	83.060376
"1536961"	230.123108	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+IsoProp+Na+H"	84.054008
"1004378"	115.068376	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+2ACN+2H"	84.067652
"1597909"	231.037728	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K+HCOOH"	84.968628
"1429035"	261.069238	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+H+CF3COOH"	115.000138
"1160417"	135.581651	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+3ACN+2H"	125.094202
"1703407"	278.095785	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+NH4+CF3COOH"	132.026685
"1647806"	283.05118	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+Na+CF3COOH"	136.98208
"1583456"	299.02512	"C00819"	"D-Glutamine;D-2-Aminoglutaramic acid"	"C5H10N2O3"	"146.0691"	"M+K+CF3COOH"	152.95602
"803980"	119.0582	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M"	0
"975686"	100.03981	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"64290"	78.3648573333333	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"510785"	118.050924	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"888586"	38.6787906666667	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"15268"	118.050924	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"454987"	177.580024	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"827805"	58.521824	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"91938"	237.109124	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"528460"	356.167324	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"901888"	118.050924	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"59666"	254.135671	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"492908"	373.193871	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"873624"	135.077471	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"40430"	259.091066	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"477803"	378.149266	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"852688"	140.032866	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1622220"	140.032866	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"95831"	136.039263	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"537215"	195.568363	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"930001"	76.510163	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"270744"	273.085802	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"663528"	392.144002	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1274473"	154.027602	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"20313"	275.065006	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"459871"	394.123206	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"836219"	156.006806	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1569925"	156.006806	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"954888"	164.056394	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"372742"	283.114601	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"358812"	297.130251	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1502540"	178.072051	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"971543"	186.038351	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"121177"	154.027602	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"556362"	213.556702	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1035735"	94.498502	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1252394"	197.977085	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1318860"	200.033072	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1334171"	222.015029	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"926077"	232.043786	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1299017"	268.020464	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1378274"	84.045524	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1390304"	102.0555	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"289988"	239.123676	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"687879"	358.181876	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1364957"	120.065476	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"137117"	120.065476	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"574491"	179.594576	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1049869"	60.536376	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"217041"	80.3794093333333	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"655144"	120.065476	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1177156"	40.6933426666667	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"438364"	256.150223	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"796444"	375.208423	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1693138"	137.092023	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"339956"	128.5787495	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"733475"	188.1078495	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1481828"	69.0496495	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"393945"	261.105618	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"760408"	380.163818	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1610695"	142.047418	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"320731"	131.056447	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"714244"	190.585547	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1470617"	71.527347	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1063492"	48.0206566666667	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1268818"	152.091686	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"382652"	277.079558	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"750939"	396.137758	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1553848"	158.021358	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"313701"	139.043417	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"703693"	198.572517	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1458608"	79.514317	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"242108"	280.150226	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1217003"	161.092026	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1200888"	81.049651	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"198137"	283.08756	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"637696"	402.14576	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1141204"	164.02936	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"183399"	142.047418	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"625149"	201.576518	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1129389"	82.518318	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1408897"	55.3479706666667	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1443566"	166.070946	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"234723"	147.08044	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1523393"	180.12299	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"421745"	150.034388	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"785372"	209.563488	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1679069"	90.505288	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"266563"	302.132168	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1238298"	183.073968	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1724264"	183.097493	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1194168"	62.6752846666667	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1662066"	188.052888	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"168926"	315.03544	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"612631"	434.09364	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1099327"	195.97724	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"156716"	158.021358	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"589747"	217.550458	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1077539"	98.492258	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1108560"	197.991792	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1343853"	198.079407	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1011287"	202.118576	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1533788"	203.112208	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"1005217"	101.562926	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1602397"	204.026828	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1428052"	234.058338	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1158340"	122.076201	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1704611"	251.084885	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1646823"	256.04028	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1583566"	272.01422	"C00820"	"D-Threonine;D-2-Amino-3-hydroxybutyric acid"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"804091"	195.0532	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M"	0
"976892"	176.03481	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-H2O-H"	-19.01839
"78458"	129.028190666667	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M-3H"	-3.021828
"518461"	194.045924	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M-3H"	-3.021828
"895474"	64.0104573333333	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-3H"	-3.021828
"15642"	194.045924	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M-2H"	-2.014552
"453032"	291.572524	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M-2H"	-2.014552
"832298"	96.519324	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-2H"	-2.014552
"92656"	389.099124	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M-H"	-1.007276
"533310"	584.152324	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M-H"	-1.007276
"908558"	194.045924	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-H"	-1.007276
"56373"	406.125671	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M-2H+NH4"	16.019271
"495203"	601.178871	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M-2H+NH4"	16.019271
"872641"	211.072471	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-2H+NH4"	16.019271
"42728"	411.081066	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M-2H+Na"	20.974666
"474997"	606.134266	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M-2H+Na"	20.974666
"853528"	216.027866	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-2H+Na"	20.974666
"1626342"	216.027866	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Na-2H"	20.974666
"99225"	212.034263	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M-H+Cl"	33.962126
"543525"	309.560863	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M-H+Cl"	33.962126
"933758"	114.507663	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-H+Cl"	33.962126
"271222"	425.075802	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+Cl"	34.969402
"662911"	620.129002	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+Cl"	34.969402
"1279330"	230.022602	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Cl"	34.969402
"22978"	427.055006	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M-2H+K"	36.948606
"462541"	622.108206	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M-2H+K"	36.948606
"845813"	232.001806	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-2H+K"	36.948606
"1568209"	232.001806	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+K-2H"	36.948606
"953909"	240.051394	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-H+HCOOH"	44.998194
"375404"	435.104601	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+HCOOH-H"	44.998201
"358923"	449.120251	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+Hac-H"	59.013851
"1504843"	254.067051	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Hac-H"	59.013851
"971292"	262.033351	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-H+NaCOOH"	66.980151
"124205"	230.022602	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+2Cl"	69.938804
"561948"	327.549202	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+2Cl"	69.938804
"1034752"	132.496002	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2Cl"	69.938804
"1253240"	273.972085	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Br"	78.918885
"1317875"	276.028072	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Cl+HCOOH"	80.974872
"1333185"	298.010029	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Cl+NaCOOH"	102.956829
"921327"	308.038786	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M-H+CF3COOH"	112.985586
"1295849"	344.015464	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Cl+CF3COOH"	148.962264
"1375104"	160.040524	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H-2H2O"	-35.012676
"1393694"	178.0505	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H-H2O"	-17.0027
"294475"	391.113676	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+H"	1.007276
"689088"	586.166876	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+H"	1.007276
"1362155"	196.060476	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H"	1.007276
"132855"	196.060476	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+2H"	2.014552
"575709"	293.587076	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+2H"	2.014552
"1045970"	98.533876	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2H"	2.014552
"214599"	131.042742666667	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+3H"	3.021828
"655983"	196.060476	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+3H"	3.021828
"1173381"	66.0250093333333	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+3H"	3.021828
"435560"	408.140223	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+NH4"	18.033823
"796554"	603.193423	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+NH4"	18.033823
"1691790"	213.087023	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+NH4"	18.033823
"340070"	204.5737495	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+H+NH4"	19.041099
"729210"	302.1003495	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+H+NH4"	19.041099
"1486310"	107.0471495	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H+NH4"	19.041099
"402805"	413.095618	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+Na"	22.989218
"763798"	608.148818	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+Na"	22.989218
"1613721"	218.042418	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Na"	22.989218
"326307"	207.051447	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+H+Na"	23.996494
"718726"	304.578047	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+H+Na"	23.996494
"1475461"	109.524847	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H+Na"	23.996494
"1062508"	73.3523233333333	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2H+Na"	25.00377
"1270386"	228.086686	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+CH3OH+H"	33.033486
"391881"	429.069558	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+K"	38.963158
"753693"	624.122758	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+K"	38.963158
"1554448"	234.016358	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+K"	38.963158
"310287"	215.038417	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+H+K"	39.970434
"700888"	312.565017	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+H+K"	39.970434
"1451430"	117.511817	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H+K"	39.970434
"241126"	432.140226	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+ACN+H"	42.033826
"1217113"	237.087026	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+ACN+H"	42.033826
"1202093"	119.047151	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+ACN+2H"	43.041102
"193140"	435.07756	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+2Na-H"	44.97116
"636712"	630.13076	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+2Na-H"	44.97116
"1144231"	240.02436	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2Na-H"	44.97116
"186430"	218.042418	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+2Na"	45.978436
"623803"	315.569018	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+2Na"	45.978436
"1128040"	120.515818	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2Na"	45.978436
"1412536"	80.6796373333333	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H+2Na"	46.985712
"1444409"	242.065946	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H+HCOOH"	47.012746
"233740"	223.07544	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+3H2O+2H"	56.04448
"1519981"	256.11799	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+IsoProp+H"	61.06479
"421127"	226.029388	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+Na+K"	61.952376
"780296"	323.555988	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+Na+K"	61.952376
"1678453"	128.502788	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Na+K"	61.952376
"260236"	454.122168	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+ACN+Na"	64.015768
"1238046"	259.068968	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+ACN+Na"	64.015768
"1724017"	259.092493	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+NH4+HCOOH"	64.039293
"1192528"	88.0069513333333	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+3Na"	68.967654
"1663514"	264.047888	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Na+HCOOH"	68.994688
"171232"	467.02544	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+2K-H"	76.91904
"611888"	662.07864	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+2K-H"	76.91904
"1098589"	271.97224	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2K-H"	76.91904
"148107"	234.016358	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"2M+2K"	77.926316
"589858"	331.542958	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"3M+2K"	77.926316
"1076557"	136.489758	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2K"	77.926316
"1106485"	273.986792	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2K+H"	78.933592
"1345056"	274.074407	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+DMSO+H"	79.021207
"1013586"	278.113576	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2ACN+H"	83.060376
"1532804"	279.107208	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+IsoProp+Na+H"	84.054008
"1000344"	139.560426	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+2ACN+2H"	84.067652
"1595943"	280.021828	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+K+HCOOH"	84.968628
"1425977"	310.053338	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+H+CF3COOH"	115.000138
"1150798"	160.073701	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+3ACN+2H"	125.094202
"1710920"	327.079885	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+NH4+CF3COOH"	132.026685
"1645841"	332.03528	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+Na+CF3COOH"	136.98208
"1583677"	348.00922	"C00822"	"Dopaquinone"	"C9H9NO4"	"195.0532"	"M+K+CF3COOH"	152.95602
"804201"	242.261	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M"	0
"974307"	223.24261	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-H2O-H"	-19.01839
"74728"	160.500057333333	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M-3H"	-3.021828
"515381"	241.253724	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M-3H"	-3.021828
"893185"	79.7463906666667	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-3H"	-3.021828
"13947"	241.253724	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M-2H"	-2.014552
"450227"	362.384224	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M-2H"	-2.014552
"830220"	120.123224	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-2H"	-2.014552
"93494"	483.514724	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M-H"	-1.007276
"533054"	725.775724	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M-H"	-1.007276
"908669"	241.253724	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-H"	-1.007276
"58669"	500.541271	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M-2H+NH4"	16.019271
"493856"	742.802271	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M-2H+NH4"	16.019271
"872751"	258.280271	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-2H+NH4"	16.019271
"40651"	505.496666	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M-2H+Na"	20.974666
"475471"	747.757666	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M-2H+Na"	20.974666
"853638"	263.235666	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-2H+Na"	20.974666
"1626452"	263.235666	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Na-2H"	20.974666
"98607"	259.242063	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M-H+Cl"	33.962126
"543635"	380.372563	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M-H+Cl"	33.962126
"932775"	138.111563	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-H+Cl"	33.962126
"272426"	519.491402	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+Cl"	34.969402
"663022"	761.752402	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+Cl"	34.969402
"1281625"	277.230402	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Cl"	34.969402
"20900"	521.470606	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M-2H+K"	36.948606
"461556"	763.731606	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M-2H+K"	36.948606
"844830"	279.209606	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-2H+K"	36.948606
"1567226"	279.209606	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+K-2H"	36.948606
"955112"	287.259194	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-H+HCOOH"	44.998194
"375513"	529.520201	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+HCOOH-H"	44.998201
"357211"	543.535851	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+Hac-H"	59.013851
"1505682"	301.274851	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Hac-H"	59.013851
"971402"	309.241151	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-H+NaCOOH"	66.980151
"123950"	277.230402	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+2Cl"	69.938804
"563151"	398.360902	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+2Cl"	69.938804
"1034862"	156.099902	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2Cl"	69.938804
"1254443"	321.179885	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Br"	78.918885
"1318957"	323.235872	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Cl+HCOOH"	80.974872
"1334267"	345.217829	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Cl+NaCOOH"	102.956829
"921437"	355.246586	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M-H+CF3COOH"	112.985586
"1295959"	391.223264	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Cl+CF3COOH"	148.962264
"1375214"	207.248324	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H-2H2O"	-35.012676
"1393804"	225.2583	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H-H2O"	-17.0027
"291305"	485.529276	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+H"	1.007276
"687011"	727.790276	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+H"	1.007276
"1362265"	243.268276	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H"	1.007276
"134058"	243.268276	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+2H"	2.014552
"572538"	364.398776	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+2H"	2.014552
"1043523"	122.137776	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2H"	2.014552
"212521"	162.514609333333	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+3H"	3.021828
"656455"	243.268276	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+3H"	3.021828
"1174218"	81.7609426666667	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+3H"	3.021828
"433483"	502.555823	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+NH4"	18.033823
"795572"	744.816823	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+NH4"	18.033823
"1692993"	260.294823	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+NH4"	18.033823
"336899"	251.7815495	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+H+NH4"	19.041099
"727134"	372.9120495	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+H+NH4"	19.041099
"1484235"	130.6510495	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H+NH4"	19.041099
"399633"	507.511218	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+Na"	22.989218
"762815"	749.772218	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+Na"	22.989218
"1610914"	265.250218	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Na"	22.989218
"324231"	254.259247	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+H+Na"	23.996494
"718836"	375.389747	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+H+Na"	23.996494
"1473749"	133.128747	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H+Na"	23.996494
"1062618"	89.0882566666667	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2H+Na"	25.00377
"1269038"	275.294486	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+CH3OH+H"	33.033486
"392706"	523.485158	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+K"	38.963158
"753883"	765.746158	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+K"	38.963158
"1553950"	281.224158	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+K"	38.963158
"308576"	262.246217	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+H+K"	39.970434
"695531"	383.376717	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+H+K"	39.970434
"1449716"	141.115717	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H+K"	39.970434
"244516"	526.555826	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+ACN+H"	42.033826
"1216130"	284.294826	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+ACN+H"	42.033826
"1205484"	142.651051	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+ACN+2H"	43.041102
"195074"	529.49316	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+2Na-H"	44.97116
"637917"	771.75416	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+2Na-H"	44.97116
"1141425"	287.23216	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2Na-H"	44.97116
"185809"	265.250218	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+2Na"	45.978436
"622089"	386.380718	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+2Na"	45.978436
"1129605"	144.119718	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2Na"	45.978436
"1410942"	96.4155706666667	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H+2Na"	46.985712
"1444518"	289.273746	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H+HCOOH"	47.012746
"234578"	270.28324	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+3H2O+2H"	56.04448
"1518996"	303.32579	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+IsoProp+H"	61.06479
"419779"	273.237188	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+Na+K"	61.952376
"781135"	394.367688	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+Na+K"	61.952376
"1672734"	152.106688	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Na+K"	61.952376
"257067"	548.537768	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+ACN+Na"	64.015768
"1236694"	306.276768	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+ACN+Na"	64.015768
"1722668"	306.300293	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+NH4+HCOOH"	64.039293
"1190939"	103.742884666667	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+3Na"	68.967654
"1662652"	311.255688	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Na+HCOOH"	68.994688
"165143"	561.44104	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+2K-H"	76.91904
"611266"	803.70204	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+2K-H"	76.91904
"1093591"	319.18004	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2K-H"	76.91904
"145665"	281.224158	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"2M+2K"	77.926316
"586687"	402.354658	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"3M+2K"	77.926316
"1074478"	160.093658	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2K"	77.926316
"1107686"	321.194592	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2K+H"	78.933592
"1340792"	321.282207	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+DMSO+H"	79.021207
"1012604"	325.321376	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2ACN+H"	83.060376
"1528540"	326.315008	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+IsoProp+Na+H"	84.054008
"998269"	163.164326	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+2ACN+2H"	84.067652
"1594960"	327.229628	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+K+HCOOH"	84.968628
"1424993"	357.261138	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+H+CF3COOH"	115.000138
"1153095"	183.677601	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+3ACN+2H"	125.094202
"1708114"	374.287685	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+NH4+CF3COOH"	132.026685
"1645951"	379.24308	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+Na+CF3COOH"	136.98208
"1583787"	395.21702	"C00823"	"1-Hexadecanol;Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol"	"C16H34O"	"242.261"	"M+K+CF3COOH"	152.95602
"804312"	483.254	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M"	0
"987328"	464.23561	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-H2O-H"	-19.01839
"75935"	321.162057333333	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M-3H"	-3.021828
"511121"	482.246724	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M-3H"	-3.021828
"893297"	160.077390666667	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-3H"	-3.021828
"10777"	482.246724	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M-2H"	-2.014552
"452531"	723.873724	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M-2H"	-2.014552
"830330"	240.619724	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-2H"	-2.014552
"92387"	965.500724	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M-H"	-1.007276
"529880"	1448.754724	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M-H"	-1.007276
"908777"	482.246724	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-H"	-1.007276
"59872"	982.527271	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M-2H+NH4"	16.019271
"496153"	1465.781271	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M-2H+NH4"	16.019271
"872861"	499.273271	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-2H+NH4"	16.019271
"37480"	987.482666	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M-2H+Na"	20.974666
"478132"	1470.736666	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M-2H+Na"	20.974666
"855936"	504.228666	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-2H+Na"	20.974666
"1623283"	504.228666	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Na-2H"	20.974666
"96893"	500.235063	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M-H+Cl"	33.962126
"541558"	741.862063	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M-H+Cl"	33.962126
"936169"	258.608063	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-H+Cl"	33.962126
"276913"	1001.477402	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+Cl"	34.969402
"673710"	1484.731402	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+Cl"	34.969402
"1285018"	518.223402	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Cl"	34.969402
"28669"	1003.456606	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M-2H+K"	36.948606
"468233"	1486.710606	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M-2H+K"	36.948606
"848182"	520.202606	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-2H+K"	36.948606
"1567344"	520.202606	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+K-2H"	36.948606
"954130"	528.252194	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-H+HCOOH"	44.998194
"373443"	1011.506201	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+HCOOH-H"	44.998201
"357321"	1025.521851	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+Hac-H"	59.013851
"1505063"	542.267851	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Hac-H"	59.013851
"970419"	550.234151	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-H+NaCOOH"	66.980151
"121515"	518.223402	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+2Cl"	69.938804
"563259"	759.850402	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+2Cl"	69.938804
"1030968"	276.596402	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2Cl"	69.938804
"1252731"	562.172885	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Br"	78.918885
"1315181"	564.228872	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Cl+HCOOH"	80.974872
"1331582"	586.210829	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Cl+NaCOOH"	102.956829
"918271"	596.239586	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M-H+CF3COOH"	112.985586
"1293883"	632.216264	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Cl+CF3COOH"	148.962264
"1377512"	448.241324	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H-2H2O"	-35.012676
"1393917"	466.2513	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H-H2O"	-17.0027
"291415"	967.515276	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+H"	1.007276
"687120"	1450.769276	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+H"	1.007276
"1361282"	484.261276	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H"	1.007276
"129809"	484.261276	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+2H"	2.014552
"573379"	725.888276	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+2H"	2.014552
"1043637"	242.634276	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2H"	2.014552
"211539"	323.176609333333	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+3H"	3.021828
"652192"	484.261276	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+3H"	3.021828
"1173599"	162.091942666667	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+3H"	3.021828
"433590"	984.541823	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+NH4"	18.033823
"793495"	1467.795823	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+NH4"	18.033823
"1687637"	501.287823	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+NH4"	18.033823
"335917"	492.7745495	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+H+NH4"	19.041099
"731618"	734.4015495	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+H+NH4"	19.041099
"1485439"	251.1475495	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H+NH4"	19.041099
"399744"	989.497218	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+Na"	22.989218
"759647"	1472.751218	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+Na"	22.989218
"1608837"	506.243218	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Na"	22.989218
"323247"	495.252247	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+H+Na"	23.996494
"717853"	736.879247	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+H+Na"	23.996494
"1472766"	253.625247	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H+Na"	23.996494
"1063458"	169.419256666667	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2H+Na"	25.00377
"1269883"	516.287486	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+CH3OH+H"	33.033486
"384085"	1005.471158	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+K"	38.963158
"751280"	1488.725158	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+K"	38.963158
"1550053"	522.217158	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+K"	38.963158
"305407"	503.239217	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+H+K"	39.970434
"696734"	744.866217	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+H+K"	39.970434
"1449462"	261.612217	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H+K"	39.970434
"245720"	1008.541826	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+ACN+H"	42.033826
"1215152"	525.287826	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+ACN+H"	42.033826
"1205594"	263.147551	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+ACN+2H"	43.041102
"195184"	1011.47916	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+2Na-H"	44.97116
"639123"	1494.73316	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+2Na-H"	44.97116
"1144818"	528.22516	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2Na-H"	44.97116
"181546"	506.243218	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+2Na"	45.978436
"620012"	747.870218	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+2Na"	45.978436
"1124613"	264.616218	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2Na"	45.978436
"1409234"	176.746570666667	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H+2Na"	46.985712
"1439892"	530.266746	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H+HCOOH"	47.012746
"232136"	511.27624	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+3H2O+2H"	56.04448
"1518014"	544.31879	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+IsoProp+H"	61.06479
"418794"	514.230188	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+Na+K"	61.952376
"778697"	755.857188	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+Na+K"	61.952376
"1673935"	272.603188	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Na+K"	61.952376
"260453"	1030.523768	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+ACN+Na"	64.015768
"1232801"	547.269768	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+ACN+Na"	64.015768
"1721687"	547.293293	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+NH4+HCOOH"	64.039293
"1190684"	184.073884666667	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+3Na"	68.967654
"1652925"	552.248688	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Na+HCOOH"	68.994688
"162338"	1043.42704	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+2K-H"	76.91904
"600803"	1526.68104	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+2K-H"	76.91904
"1084703"	560.17304	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2K-H"	76.91904
"145411"	522.217158	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"2M+2K"	77.926316
"583512"	763.844158	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"3M+2K"	77.926316
"1070578"	280.590158	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2K"	77.926316
"1103057"	562.187592	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2K+H"	78.933592
"1337255"	562.275207	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+DMSO+H"	79.021207
"1008701"	566.314376	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2ACN+H"	83.060376
"1528651"	567.308008	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+IsoProp+Na+H"	84.054008
"994006"	283.660826	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+2ACN+2H"	84.067652
"1593978"	568.222628	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+K+HCOOH"	84.968628
"1421824"	598.254138	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+H+CF3COOH"	115.000138
"1157581"	304.174101	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+3ACN+2H"	125.094202
"1709319"	615.280685	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+NH4+CF3COOH"	132.026685
"1646061"	620.23608	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+Na+CF3COOH"	136.98208
"1583898"	636.21002	"C00825"	"Kanamycin B;Bekanamycin;Nebramycin factor 5"	"C18H37N5O10"	"483.254"	"M+K+CF3COOH"	152.95602
"804422"	227.0794	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M"	0
"977958"	208.06101	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-H2O-H"	-19.01839
"72762"	150.378990666667	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M-3H"	-3.021828
"513415"	226.072124	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M-3H"	-3.021828
"893407"	74.6858573333333	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-3H"	-3.021828
"10887"	226.072124	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M-2H"	-2.014552
"454099"	339.611824	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M-2H"	-2.014552
"831292"	112.532424	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-2H"	-2.014552
"91525"	453.151524	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M-H"	-1.007276
"529990"	680.230924	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M-H"	-1.007276
"905608"	226.072124	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-H"	-1.007276
"58889"	470.178071	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M-2H+NH4"	16.019271
"495170"	697.257471	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M-2H+NH4"	16.019271
"871878"	243.098671	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-2H+NH4"	16.019271
"40870"	475.133466	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M-2H+Na"	20.974666
"478242"	702.212866	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M-2H+Na"	20.974666
"852033"	248.054066	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-2H+Na"	20.974666
"1620108"	248.054066	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Na-2H"	20.974666
"96998"	244.060463	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M-H+Cl"	33.962126
"540575"	357.600163	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M-H+Cl"	33.962126
"934092"	130.520763	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-H+Cl"	33.962126
"271189"	489.128202	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+Cl"	34.969402
"668351"	716.207602	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+Cl"	34.969402
"1277473"	262.048802	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Cl"	34.969402
"20030"	491.107406	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M-2H+K"	36.948606
"465063"	718.186806	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M-2H+K"	36.948606
"840677"	264.028006	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-2H+K"	36.948606
"1569635"	264.028006	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+K-2H"	36.948606
"954240"	272.077594	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-H+HCOOH"	44.998194
"371366"	499.157001	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+HCOOH-H"	44.998201
"357431"	513.172651	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+Hac-H"	59.013851
"1504079"	286.093251	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Hac-H"	59.013851
"970529"	294.059551	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-H+NaCOOH"	66.980151
"121625"	262.048802	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+2Cl"	69.938804
"562275"	375.588502	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+2Cl"	69.938804
"1029985"	148.509102	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2Cl"	69.938804
"1252840"	305.998285	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Br"	78.918885
"1317477"	308.054272	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Cl+HCOOH"	80.974872
"1329505"	330.036229	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Cl+NaCOOH"	102.956829
"918381"	340.064986	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M-H+CF3COOH"	112.985586
"1293993"	376.041664	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Cl+CF3COOH"	148.962264
"1375435"	192.066724	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H-2H2O"	-35.012676
"1388554"	210.0767	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H-H2O"	-17.0027
"289338"	455.166076	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+H"	1.007276
"687595"	682.245476	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+H"	1.007276
"1362485"	228.086676	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H"	1.007276
"133201"	228.086676	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+2H"	2.014552
"574218"	341.626376	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+2H"	2.014552
"1042657"	114.546976	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2H"	2.014552
"212742"	152.393542666667	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+3H"	3.021828
"651211"	228.086676	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+3H"	3.021828
"1171524"	76.7004093333333	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+3H"	3.021828
"431514"	472.192623	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+NH4"	18.033823
"789230"	699.272023	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+NH4"	18.033823
"1685560"	245.113223	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+NH4"	18.033823
"334932"	236.5999495	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+H+NH4"	19.041099
"727353"	350.1396495	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+H+NH4"	19.041099
"1481173"	123.0602495	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H+NH4"	19.041099
"395476"	477.148018	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+Na"	22.989218
"760848"	704.227418	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+Na"	22.989218
"1607854"	250.068618	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Na"	22.989218
"323354"	239.077647	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+H+Na"	23.996494
"714680"	352.617347	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+H+Na"	23.996494
"1467406"	125.537947	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H+Na"	23.996494
"1058464"	84.0277233333333	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2H+Na"	25.00377
"1268899"	260.112886	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+CH3OH+H"	33.033486
"384195"	493.121958	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+K"	38.963158
"749567"	720.201358	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+K"	38.963158
"1549798"	266.042558	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+K"	38.963158
"304422"	247.064617	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+H+K"	39.970434
"697937"	360.604317	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+H+K"	39.970434
"1450665"	133.524917	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H+K"	39.970434
"242547"	496.192626	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+ACN+H"	42.033826
"1218539"	269.113226	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+ACN+H"	42.033826
"1202424"	135.060251	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+ACN+2H"	43.041102
"192014"	499.12996	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+2Na-H"	44.97116
"642152"	726.20936	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+2Na-H"	44.97116
"1144928"	272.05056	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2Na-H"	44.97116
"184572"	250.068618	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+2Na"	45.978436
"622674"	363.608318	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+2Na"	45.978436
"1124359"	136.528918	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2Na"	45.978436
"1412259"	91.3550373333333	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H+2Na"	46.985712
"1440002"	274.092146	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H+HCOOH"	47.012746
"231882"	255.10164	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+3H2O+2H"	56.04448
"1519218"	288.14419	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+IsoProp+H"	61.06479
"420726"	258.055588	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+Na+K"	61.952376
"782086"	371.595288	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+Na+K"	61.952376
"1676961"	144.515888	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Na+K"	61.952376
"260563"	518.174568	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+ACN+Na"	64.015768
"1233276"	291.095168	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+ACN+Na"	64.015768
"1723254"	291.118693	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+NH4+HCOOH"	64.039293
"1192252"	98.6823513333333	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+3Na"	68.967654
"1655223"	296.074088	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Na+HCOOH"	68.994688
"168645"	531.07784	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+2K-H"	76.91904
"602736"	758.15724	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+2K-H"	76.91904
"1084814"	303.99844	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2K-H"	76.91904
"143336"	266.042558	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"2M+2K"	77.926316
"583990"	379.582258	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"3M+2K"	77.926316
"1072512"	152.502858	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2K"	77.926316
"1103533"	306.012992	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2K+H"	78.933592
"1336273"	306.100607	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+DMSO+H"	79.021207
"1010636"	310.139776	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2ACN+H"	83.060376
"1529854"	311.133408	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+IsoProp+Na+H"	84.054008
"996303"	155.573526	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+2ACN+2H"	84.067652
"1598461"	312.048028	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+K+HCOOH"	84.968628
"1418656"	342.079538	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+H+CF3COOH"	115.000138
"1158785"	176.086801	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+3ACN+2H"	125.094202
"1709430"	359.106085	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+NH4+CF3COOH"	132.026685
"1646171"	364.06148	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+Na+CF3COOH"	136.98208
"1584008"	380.03542	"C00826"	"L-Arogenate;L-Arogenic acid;Pretyrosine"	"C10H13NO5"	"227.0794"	"M+K+CF3COOH"	152.95602
"804532"	839.1363	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M"	0
"980255"	820.11791	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H2O-H"	-19.01839
"67405"	558.416924	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-3H"	-3.021828
"512432"	838.129024	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-3H"	-3.021828
"888044"	278.704824	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-3H"	-3.021828
"9903"	838.129024	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H"	-2.014552
"453841"	1257.697174	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H"	-2.014552
"831523"	418.560874	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H"	-2.014552
"92608"	1677.265324	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-H"	-1.007276
"531193"	2516.401624	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-H"	-1.007276
"905718"	838.129024	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H"	-1.007276
"60092"	1694.291871	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H+NH4"	16.019271
"498558"	2533.428171	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H+NH4"	16.019271
"874174"	855.155571	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H+NH4"	16.019271
"37700"	1699.247266	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H+Na"	20.974666
"475800"	2538.383566	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H+Na"	20.974666
"852507"	860.110966	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H+Na"	20.974666
"1622041"	860.110966	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na-2H"	20.974666
"96381"	856.117363	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-H+Cl"	33.962126
"540684"	1275.685513	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-H+Cl"	33.962126
"934202"	436.549213	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+Cl"	33.962126
"272757"	1713.242002	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Cl"	34.969402
"667368"	2552.378302	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+Cl"	34.969402
"1279769"	874.105702	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl"	34.969402
"21233"	1715.221206	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H+K"	36.948606
"466267"	2554.357506	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H+K"	36.948606
"841881"	876.084906	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H+K"	36.948606
"1568652"	876.084906	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K-2H"	36.948606
"955442"	884.134494	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+HCOOH"	44.998194
"371476"	1723.270801	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+HCOOH-H"	44.998201
"357542"	1737.286451	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Hac-H"	59.013851
"1504919"	898.150151	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Hac-H"	59.013851
"970639"	906.116451	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+NaCOOH"	66.980151
"121734"	874.105702	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2Cl"	69.938804
"562386"	1293.673852	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2Cl"	69.938804
"1033375"	454.537552	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2Cl"	69.938804
"1252951"	918.055185	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Br"	78.918885
"1317953"	920.111172	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl+HCOOH"	80.974872
"1333991"	942.093129	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl+NaCOOH"	102.956829
"918491"	952.121886	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+CF3COOH"	112.985586
"1293010"	988.098564	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl+CF3COOH"	148.962264
"1377732"	804.123624	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H-2H2O"	-35.012676
"1389757"	822.1336	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H-H2O"	-17.0027
"291635"	1679.279876	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H"	1.007276
"686247"	2518.416176	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H"	1.007276
"1361502"	840.143576	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H"	1.007276
"134040"	840.143576	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2H"	2.014552
"575057"	1259.711726	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2H"	2.014552
"1043858"	420.575426	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2H"	2.014552
"214312"	560.431476	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+3H"	3.021828
"650226"	840.143576	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+3H"	3.021828
"1170538"	280.719376	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+3H"	3.021828
"431624"	1696.306423	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+NH4"	18.033823
"789339"	2535.442723	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+NH4"	18.033823
"1685670"	857.170123	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+NH4"	18.033823
"333948"	848.6568495	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H+NH4"	19.041099
"727463"	1268.2249995	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H+NH4"	19.041099
"1482375"	429.0886995	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+NH4"	19.041099
"397773"	1701.261818	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Na"	22.989218
"757681"	2540.398118	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+Na"	22.989218
"1610152"	862.125518	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na"	22.989218
"324556"	851.134547	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H+Na"	23.996494
"716976"	1270.702697	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H+Na"	23.996494
"1474079"	431.566397	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+Na"	23.996494
"1060762"	288.04669	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2H+Na"	25.00377
"1270103"	872.169786	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+CH3OH+H"	33.033486
"381024"	1717.235758	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+K"	38.963158
"748581"	2556.372058	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+K"	38.963158
"1546262"	878.099458	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K"	38.963158
"299792"	859.121517	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H+K"	39.970434
"692578"	1278.689667	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H+K"	39.970434
"1448951"	439.553367	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+K"	39.970434
"242656"	1720.306426	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+ACN+H"	42.033826
"1218649"	881.170126	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+ACN+H"	42.033826
"1201440"	441.088701	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+ACN+2H"	43.041102
"196497"	1723.24376	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2Na-H"	44.97116
"641170"	2562.38006	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2Na-H"	44.97116
"1143947"	884.10746	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2Na-H"	44.97116
"181766"	862.125518	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2Na"	45.978436
"620232"	1281.693668	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2Na"	45.978436
"1124833"	442.557368	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2Na"	45.978436
"1410547"	295.374004	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+2Na"	46.985712
"1439748"	886.149046	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+HCOOH"	47.012746
"230900"	867.15854	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+3H2O+2H"	56.04448
"1518234"	900.20109	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+IsoProp+H"	61.06479
"419014"	870.112488	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Na+K"	61.952376
"781103"	1289.680638	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+Na+K"	61.952376
"1675245"	450.544338	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na+K"	61.952376
"261766"	1742.288368	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+ACN+Na"	64.015768
"1234479"	903.152068	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+ACN+Na"	64.015768
"1725914"	903.175593	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+NH4+HCOOH"	64.039293
"1192242"	302.701318	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+3Na"	68.967654
"1657518"	908.130988	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na+HCOOH"	68.994688
"166568"	1755.19164	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2K-H"	76.91904
"599930"	2594.32794	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2K-H"	76.91904
"1086264"	916.05534	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2K-H"	76.91904
"147455"	878.099458	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2K"	77.926316
"585924"	1297.667608	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2K"	77.926316
"1072622"	458.531308	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2K"	77.926316
"1102551"	918.069892	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2K+H"	78.933592
"1337841"	918.157507	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+DMSO+H"	79.021207
"1009653"	922.196676	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2ACN+H"	83.060376
"1528871"	923.190308	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+IsoProp+Na+H"	84.054008
"997507"	461.601976	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2ACN+2H"	84.067652
"1595292"	924.104928	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K+HCOOH"	84.968628
"1422046"	954.136438	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+CF3COOH"	115.000138
"1159988"	482.115251	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+3ACN+2H"	125.094202
"1709540"	971.162985	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+NH4+CF3COOH"	132.026685
"1646281"	976.11838	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na+CF3COOH"	136.98208
"1584118"	992.09232	"C00827"	"Lactoyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K+CF3COOH"	152.95602
"812301"	128.0626	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M"	0
"985834"	109.04421	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-H2O-H"	-19.01839
"74075"	84.3677906666667	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M-3H"	-3.021828
"510356"	127.055324	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M-3H"	-3.021828
"884879"	41.6802573333333	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-3H"	-3.021828
"14637"	127.055324	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M-2H"	-2.014552
"453951"	191.086624	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M-2H"	-2.014552
"831390"	63.024024	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-2H"	-2.014552
"93448"	255.117924	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M-H"	-1.007276
"532158"	383.180524	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M-H"	-1.007276
"909354"	127.055324	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-H"	-1.007276
"54735"	272.144471	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M-2H+NH4"	16.019271
"495389"	400.207071	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M-2H+NH4"	16.019271
"869910"	144.081871	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-2H+NH4"	16.019271
"37811"	277.099866	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M-2H+Na"	20.974666
"478828"	405.162466	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M-2H+Na"	20.974666
"851889"	149.037266	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-2H+Na"	20.974666
"1621786"	149.037266	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Na-2H"	20.974666
"97587"	145.043663	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M-H+Cl"	33.962126
"539702"	209.074963	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M-H+Cl"	33.962126
"933218"	81.012363	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-H+Cl"	33.962126
"272867"	291.094602	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+Cl"	34.969402
"663101"	419.157202	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+Cl"	34.969402
"1285350"	163.032002	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Cl"	34.969402
"28639"	293.073806	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M-2H+K"	36.948606
"466375"	421.136406	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M-2H+K"	36.948606
"845275"	165.011206	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-2H+K"	36.948606
"1566580"	165.011206	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+K-2H"	36.948606
"955559"	173.060794	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-H+HCOOH"	44.998194
"373774"	301.123401	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+HCOOH-H"	44.998201
"356562"	315.139051	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+Hac-H"	59.013851
"1503208"	187.076451	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Hac-H"	59.013851
"967468"	195.042751	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-H+NaCOOH"	66.980151
"120749"	163.032002	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+2Cl"	69.938804
"563594"	227.063302	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+2Cl"	69.938804
"1032393"	99.000702	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2Cl"	69.938804
"1254154"	206.981485	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Br"	78.918885
"1315511"	209.037472	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Cl+HCOOH"	80.974872
"1327543"	231.019429	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Cl+NaCOOH"	102.956829
"918600"	241.048186	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M-H+CF3COOH"	112.985586
"1297497"	277.024864	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Cl+CF3COOH"	148.962264
"1375657"	93.049924	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H-2H2O"	-35.012676
"1393155"	111.0599	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H-H2O"	-17.0027
"292847"	257.132476	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+H"	1.007276
"687452"	385.195076	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+H"	1.007276
"1359439"	129.069876	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H"	1.007276
"135609"	129.069876	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+2H"	2.014552
"577356"	193.101176	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+2H"	2.014552
"1049074"	65.038576	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2H"	2.014552
"214061"	86.3823426666667	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+3H"	3.021828
"656535"	129.069876	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+3H"	3.021828
"1172838"	43.6948093333333	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+3H"	3.021828
"427361"	274.159023	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+NH4"	18.033823
"789450"	402.221623	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+NH4"	18.033823
"1686873"	146.096423	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+NH4"	18.033823
"336245"	137.5831495	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+H+NH4"	19.041099
"728668"	201.6144495	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+H+NH4"	19.041099
"1481394"	73.5518495	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H+NH4"	19.041099
"396792"	279.114418	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+Na"	22.989218
"758884"	407.177018	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+Na"	22.989218
"1610259"	151.051818	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Na"	22.989218
"322482"	140.060847	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+H+Na"	23.996494
"714901"	204.092147	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+H+Na"	23.996494
"1469814"	76.029547	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H+Na"	23.996494
"1060878"	51.0221233333333	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2H+Na"	25.00377
"1261466"	161.096086	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+CH3OH+H"	33.033486
"390614"	295.088358	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+K"	38.963158
"750879"	423.150958	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+K"	38.963158
"1547465"	167.025758	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+K"	38.963158
"309017"	148.047817	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+H+K"	39.970434
"697064"	212.079117	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+H+K"	39.970434
"1456352"	84.016517	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H+K"	39.970434
"242766"	298.159026	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+ACN+H"	42.033826
"1216569"	170.096426	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+ACN+H"	42.033826
"1202647"	85.551851	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+ACN+2H"	43.041102
"199530"	301.09636	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+2Na-H"	44.97116
"641644"	429.15896	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+2Na-H"	44.97116
"1144422"	173.03376	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2Na-H"	44.97116
"182969"	151.051818	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+2Na"	45.978436
"626545"	215.083118	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+2Na"	45.978436
"1128592"	87.020518	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2Na"	45.978436
"1411023"	58.3494373333333	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H+2Na"	46.985712
"1443138"	175.075346	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H+HCOOH"	47.012746
"233198"	156.08484	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+3H2O+2H"	56.04448
"1520165"	189.12739	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+IsoProp+H"	61.06479
"420946"	159.038788	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+Na+K"	61.952376
"782672"	223.070088	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+Na+K"	61.952376
"1678274"	95.007488	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Na+K"	61.952376
"263703"	320.140968	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+ACN+Na"	64.015768
"1237869"	192.078368	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+ACN+Na"	64.015768
"1726391"	192.101893	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+NH4+HCOOH"	64.039293
"1189926"	65.6767513333333	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+3Na"	68.967654
"1663098"	197.057288	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Na+HCOOH"	68.994688
"161213"	333.04424	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+2K-H"	76.91904
"604052"	461.10684	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+2K-H"	76.91904
"1089657"	204.98164	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2K-H"	76.91904
"147568"	167.025758	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"2M+2K"	77.926316
"588222"	231.057058	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"3M+2K"	77.926316
"1074923"	102.994458	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2K"	77.926316
"1105945"	206.996192	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2K+H"	78.933592
"1344514"	207.083807	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+DMSO+H"	79.021207
"1013046"	211.122976	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2ACN+H"	83.060376
"1532264"	212.116608	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+IsoProp+Na+H"	84.054008
"998711"	106.065126	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+2ACN+2H"	84.067652
"1593215"	213.031228	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+K+HCOOH"	84.968628
"1422157"	243.062738	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+H+CF3COOH"	115.000138
"1159003"	126.578401	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+3ACN+2H"	125.094202
"1708554"	260.089285	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+NH4+CF3COOH"	132.026685
"1643112"	265.04468	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+Na+CF3COOH"	136.98208
"1577668"	281.01862	"C00829"	"Naphthalene"	"C10H8"	"128.0626"	"M+K+CF3COOH"	152.95602
"811317"	117.9902	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M"	0
"985944"	98.97181	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-H2O-H"	-19.01839
"74185"	77.6528573333333	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M-3H"	-3.021828
"517026"	116.982924	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M-3H"	-3.021828
"895443"	38.3227906666667	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-3H"	-3.021828
"15275"	116.982924	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M-2H"	-2.014552
"449686"	175.978024	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M-2H"	-2.014552
"827488"	57.987824	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-2H"	-2.014552
"89667"	234.973124	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M-H"	-1.007276
"532389"	352.963324	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M-H"	-1.007276
"908125"	116.982924	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-H"	-1.007276
"50470"	251.999671	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M-2H+NH4"	16.019271
"495497"	369.989871	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M-2H+NH4"	16.019271
"866736"	134.009471	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-2H+NH4"	16.019271
"33909"	256.955066	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M-2H+Na"	20.974666
"472494"	374.945266	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M-2H+Na"	20.974666
"851268"	138.964866	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-2H+Na"	20.974666
"1620804"	138.964866	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Na-2H"	20.974666
"95141"	134.971263	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M-H+Cl"	33.962126
"541998"	193.966363	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M-H+Cl"	33.962126
"933328"	75.976163	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-H+Cl"	33.962126
"272978"	270.949802	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+Cl"	34.969402
"664305"	388.940002	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+Cl"	34.969402
"1285460"	152.959602	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Cl"	34.969402
"22550"	272.929006	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M-2H+K"	36.948606
"466485"	390.919206	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M-2H+K"	36.948606
"848308"	154.938806	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-2H+K"	36.948606
"1568876"	154.938806	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+K-2H"	36.948606
"956763"	162.988394	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-H+HCOOH"	44.998194
"373884"	280.978601	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+HCOOH-H"	44.998201
"356672"	294.994251	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+Hac-H"	59.013851
"1504411"	177.004051	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Hac-H"	59.013851
"970857"	184.970351	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-H+NaCOOH"	66.980151
"125602"	152.959602	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+2Cl"	69.938804
"563707"	211.954702	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+2Cl"	69.938804
"1035783"	93.964502	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2Cl"	69.938804
"1256982"	196.909085	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Br"	78.918885
"1315621"	198.965072	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Cl+HCOOH"	80.974872
"1329839"	220.947029	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Cl+NaCOOH"	102.956829
"919074"	230.975786	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M-H+CF3COOH"	112.985586
"1298699"	266.952464	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Cl+CF3COOH"	148.962264
"1379046"	82.977524	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H-2H2O"	-35.012676
"1394358"	100.9875	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H-H2O"	-17.0027
"289679"	236.987676	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+H"	1.007276
"685743"	354.977876	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+H"	1.007276
"1363557"	118.997476	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H"	1.007276
"135717"	118.997476	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+2H"	2.014552
"578195"	177.992576	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+2H"	2.014552
"1048456"	60.002376	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2H"	2.014552
"216356"	79.6674093333333	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+3H"	3.021828
"656281"	118.997476	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+3H"	3.021828
"1171855"	40.3373426666667	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+3H"	3.021828
"426379"	254.014223	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+NH4"	18.033823
"788468"	372.004423	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+NH4"	18.033823
"1684798"	136.024023	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+NH4"	18.033823
"335263"	127.5107495	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+H+NH4"	19.041099
"728777"	186.5058495	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+H+NH4"	19.041099
"1482599"	68.5156495	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H+NH4"	19.041099
"400184"	258.969618	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+Na"	22.989218
"757897"	376.959818	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+Na"	22.989218
"1612557"	140.979418	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Na"	22.989218
"325872"	129.988447	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+H+Na"	23.996494
"713919"	188.983547	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+H+Na"	23.996494
"1471017"	70.993347	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H+Na"	23.996494
"1058801"	47.6646566666667	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2H+Na"	25.00377
"1267043"	151.023686	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+CH3OH+H"	33.033486
"392712"	274.943558	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+K"	38.963158
"750989"	392.933758	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+K"	38.963158
"1550856"	156.953358	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+K"	38.963158
"302931"	137.975417	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+H+K"	39.970434
"694258"	196.970517	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+H+K"	39.970434
"1454276"	78.980317	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H+K"	39.970434
"242879"	278.014226	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+ACN+H"	42.033826
"1215590"	160.024026	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+ACN+H"	42.033826
"1202757"	80.515651	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+ACN+2H"	43.041102
"201826"	280.95156	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+2Na-H"	44.97116
"642118"	398.94176	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+2Na-H"	44.97116
"1141976"	162.96136	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2Na-H"	44.97116
"187091"	140.979418	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+2Na"	45.978436
"625560"	199.974518	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+2Na"	45.978436
"1127242"	81.984318	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2Na"	45.978436
"1411862"	54.9919706666667	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H+2Na"	46.985712
"1440695"	165.002946	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H+HCOOH"	47.012746
"233670"	146.01244	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+3H2O+2H"	56.04448
"1521368"	179.05499	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+IsoProp+H"	61.06479
"419233"	148.966388	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+Na+K"	61.952376
"781321"	207.961488	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+Na+K"	61.952376
"1676561"	89.971288	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Na+K"	61.952376
"262718"	299.996168	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+ACN+Na"	64.015768
"1235794"	182.005968	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+ACN+Na"	64.015768
"1724315"	182.029493	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+NH4+HCOOH"	64.039293
"1186755"	62.3192846666667	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+3Na"	68.967654
"1659928"	186.984888	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Na+HCOOH"	68.994688
"159135"	312.89944	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+2K-H"	76.91904
"599788"	430.88964	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+2K-H"	76.91904
"1087581"	194.90924	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2K-H"	76.91904
"142573"	156.953358	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"2M+2K"	77.926316
"585051"	215.948458	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"3M+2K"	77.926316
"1070294"	97.958258	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2K"	77.926316
"1103139"	196.923792	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2K+H"	78.933592
"1339522"	197.011407	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+DMSO+H"	79.021207
"1006958"	201.050576	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2ACN+H"	83.060376
"1530186"	202.044208	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+IsoProp+Na+H"	84.054008
"994448"	101.028926	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+2ACN+2H"	84.067652
"1594418"	202.958828	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+K+HCOOH"	84.968628
"1421171"	232.990338	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+H+CF3COOH"	115.000138
"1156926"	121.542201	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+3ACN+2H"	125.094202
"1705384"	250.016885	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+NH4+CF3COOH"	132.026685
"1643222"	254.97228	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+Na+CF3COOH"	136.98208
"1577778"	270.94622	"C00830"	"Oxomalonate;Oxomalonic acid;Ketomalonic acid;Mesoxalic acid"	"C3H2O5"	"117.9902"	"M+K+CF3COOH"	152.95602
"810334"	278.13	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M"	0
"984961"	259.11161	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-H2O-H"	-19.01839
"71015"	184.412724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M-3H"	-3.021828
"513856"	277.122724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M-3H"	-3.021828
"890566"	91.702724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-3H"	-3.021828
"11332"	277.122724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M-2H"	-2.014552
"449796"	416.187724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M-2H"	-2.014552
"826505"	138.057724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-2H"	-2.014552
"89777"	555.252724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M-H"	-1.007276
"531527"	833.382724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M-H"	-1.007276
"904955"	277.122724	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-H"	-1.007276
"50580"	572.279271	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M-2H+NH4"	16.019271
"494514"	850.409271	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M-2H+NH4"	16.019271
"865753"	294.149271	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-2H+NH4"	16.019271
"33290"	577.234666	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M-2H+Na"	20.974666
"471548"	855.364666	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M-2H+Na"	20.974666
"848616"	299.104666	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-2H+Na"	20.974666
"1618579"	299.104666	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Na-2H"	20.974666
"94474"	295.111063	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M-H+Cl"	33.962126
"541015"	434.176063	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M-H+Cl"	33.962126
"933438"	156.046063	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-H+Cl"	33.962126
"271995"	591.229402	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+Cl"	34.969402
"665509"	869.359402	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+Cl"	34.969402
"1283384"	313.099402	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Cl"	34.969402
"23753"	593.208606	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M-2H+K"	36.948606
"466595"	871.338606	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M-2H+K"	36.948606
"845133"	315.078606	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-2H+K"	36.948606
"1565707"	315.078606	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+K-2H"	36.948606
"952130"	323.128194	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-H+HCOOH"	44.998194
"372901"	601.258201	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+HCOOH-H"	44.998201
"357876"	615.273851	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+Hac-H"	59.013851
"1503428"	337.143851	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Hac-H"	59.013851
"964041"	345.110151	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-H+NaCOOH"	66.980151
"119510"	313.099402	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+2Cl"	69.938804
"563812"	452.164402	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+2Cl"	69.938804
"1036786"	174.034402	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2Cl"	69.938804
"1253282"	357.048885	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Br"	78.918885
"1319011"	359.104872	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Cl+HCOOH"	80.974872
"1329949"	381.086829	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Cl+NaCOOH"	102.956829
"921736"	391.115586	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M-H+CF3COOH"	112.985586
"1295529"	427.092264	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Cl+CF3COOH"	148.962264
"1372595"	243.117324	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H-2H2O"	-35.012676
"1390090"	261.1273	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H-H2O"	-17.0027
"290874"	557.267276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+H"	1.007276
"687675"	835.397276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+H"	1.007276
"1359656"	279.137276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H"	1.007276
"136556"	279.137276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+2H"	2.014552
"578309"	418.202276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+2H"	2.014552
"1048566"	140.072276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2H"	2.014552
"213187"	186.427276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+3H"	3.021828
"657483"	279.137276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+3H"	3.021828
"1174519"	93.717276	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+3H"	3.021828
"425517"	574.293823	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+NH4"	18.033823
"788578"	852.423823	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+NH4"	18.033823
"1683816"	296.163823	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+NH4"	18.033823
"333188"	287.6505495	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+H+NH4"	19.041099
"728887"	426.7155495	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+H+NH4"	19.041099
"1482710"	148.5855495	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H+NH4"	19.041099
"400294"	579.249218	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+Na"	22.989218
"761287"	857.379218	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+Na"	22.989218
"1613760"	301.119218	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Na"	22.989218
"325982"	290.128247	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+H+Na"	23.996494
"714758"	429.193247	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+H+Na"	23.996494
"1472222"	151.063247	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H+Na"	23.996494
"1062191"	101.04459	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2H+Na"	25.00377
"1267153"	311.163486	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+CH3OH+H"	33.033486
"392702"	595.223158	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+K"	38.963158
"751099"	873.353158	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+K"	38.963158
"1548780"	317.093158	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+K"	38.963158
"300121"	298.115217	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+H+K"	39.970434
"694004"	437.180217	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+H+K"	39.970434
"1449650"	159.050217	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H+K"	39.970434
"240800"	598.293826	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+ACN+H"	42.033826
"1213513"	320.163826	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+ACN+H"	42.033826
"1198488"	160.585551	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+ACN+2H"	43.041102
"201573"	601.23116	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+2Na-H"	44.97116
"643320"	879.36116	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+2Na-H"	44.97116
"1143179"	323.10116	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2Na-H"	44.97116
"186836"	301.119218	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+2Na"	45.978436
"626763"	440.184218	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+2Na"	45.978436
"1126257"	162.054218	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2Na"	45.978436
"1406501"	108.371904	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H+2Na"	46.985712
"1441898"	325.142746	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H+HCOOH"	47.012746
"232685"	306.15224	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+3H2O+2H"	56.04448
"1520749"	339.19479	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+IsoProp+H"	61.06479
"420435"	309.106188	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+Na+K"	61.952376
"781431"	448.171188	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+Na+K"	61.952376
"1677764"	170.041188	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Na+K"	61.952376
"262098"	620.275768	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+ACN+Na"	64.015768
"1237725"	342.145768	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+ACN+Na"	64.015768
"1725882"	342.169293	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+NH4+HCOOH"	64.039293
"1187956"	115.699218	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+3Na"	68.967654
"1662225"	347.124688	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Na+HCOOH"	68.994688
"158273"	633.17904	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+2K-H"	76.91904
"603178"	911.30904	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+2K-H"	76.91904
"1088783"	355.04904	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2K-H"	76.91904
"146695"	317.093158	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"2M+2K"	77.926316
"586256"	456.158158	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"3M+2K"	77.926316
"1076236"	178.028158	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2K"	77.926316
"1102884"	357.063592	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2K+H"	78.933592
"1342550"	357.151207	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+DMSO+H"	79.021207
"1008891"	361.190376	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2ACN+H"	83.060376
"1530298"	362.184008	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+IsoProp+Na+H"	84.054008
"995651"	181.098826	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+2ACN+2H"	84.067652
"1594528"	363.098628	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+K+HCOOH"	84.968628
"1423468"	393.130138	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+H+CF3COOH"	115.000138
"1157036"	201.612101	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+3ACN+2H"	125.094202
"1705494"	410.156685	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+NH4+CF3COOH"	132.026685
"1643332"	415.11208	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+Na+CF3COOH"	136.98208
"1577888"	431.08602	"C00831"	"Pantetheine;(R)-Pantetheine"	"C11H22N2O4S"	"278.13"	"M+K+CF3COOH"	152.95602
"811537"	615.2963	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M"	0
"985071"	596.27791	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-H2O-H"	-19.01839
"71125"	409.190257333333	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M-3H"	-3.021828
"515060"	614.289024	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M-3H"	-3.021828
"890676"	204.091490666667	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-3H"	-3.021828
"3782"	614.289024	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M-2H"	-2.014552
"444436"	921.937174	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M-2H"	-2.014552
"824425"	306.640874	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-2H"	-2.014552
"89887"	1229.585324	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M-H"	-1.007276
"532367"	1844.881624	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M-H"	-1.007276
"905065"	614.289024	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-H"	-1.007276
"50690"	1246.611871	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M-2H+NH4"	16.019271
"491344"	1861.908171	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M-2H+NH4"	16.019271
"867686"	631.315571	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-2H+NH4"	16.019271
"32671"	1251.567266	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M-2H+Na"	20.974666
"472227"	1866.863566	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M-2H+Na"	20.974666
"849298"	636.270966	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-2H+Na"	20.974666
"1619075"	636.270966	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Na-2H"	20.974666
"94875"	632.277363	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M-H+Cl"	33.962126
"537844"	939.925513	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M-H+Cl"	33.962126
"932455"	324.629213	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-H+Cl"	33.962126
"275383"	1265.562002	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+Cl"	34.969402
"662702"	1880.858302	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+Cl"	34.969402
"1274014"	650.265702	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Cl"	34.969402
"19490"	1267.541206	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M-2H+K"	36.948606
"469257"	1882.837506	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M-2H+K"	36.948606
"844514"	652.244906	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-2H+K"	36.948606
"1565817"	652.244906	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+K-2H"	36.948606
"952604"	660.294494	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-H+HCOOH"	44.998194
"370825"	1275.590801	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+HCOOH-H"	44.998201
"356893"	1289.606451	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+Hac-H"	59.013851
"1501350"	674.310151	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Hac-H"	59.013851
"966703"	682.276451	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-H+NaCOOH"	66.980151
"121804"	650.265702	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+2Cl"	69.938804
"562828"	957.913852	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+2Cl"	69.938804
"1035638"	342.617552	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2Cl"	69.938804
"1252299"	694.215185	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Br"	78.918885
"1316934"	696.271172	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Cl+HCOOH"	80.974872
"1328966"	718.253129	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Cl+NaCOOH"	102.956829
"922210"	728.281886	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M-H+CF3COOH"	112.985586
"1296732"	764.258564	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Cl+CF3COOH"	148.962264
"1372705"	580.283624	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H-2H2O"	-35.012676
"1389107"	598.2936	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H-H2O"	-17.0027
"292077"	1231.599876	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+H"	1.007276
"684502"	1846.896176	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+H"	1.007276
"1361953"	616.303576	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H"	1.007276
"133749"	616.303576	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+2H"	2.014552
"578781"	923.951726	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+2H"	2.014552
"1049768"	308.655426	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2H"	2.014552
"215482"	411.204809333333	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+3H"	3.021828
"657227"	616.303576	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+3H"	3.021828
"1174263"	206.106042666667	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+3H"	3.021828
"432066"	1248.626423	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+NH4"	18.033823
"794156"	1863.922723	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+NH4"	18.033823
"1686113"	633.330123	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+NH4"	18.033823
"337672"	624.8168495	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+H+NH4"	19.041099
"727904"	932.4649995	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+H+NH4"	19.041099
"1483913"	317.1686995	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H+NH4"	19.041099
"400404"	1253.581818	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+Na"	22.989218
"761398"	1868.878118	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+Na"	22.989218
"1614598"	638.285518	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Na"	22.989218
"324634"	627.294547	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+H+Na"	23.996494
"716324"	934.942697	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+H+Na"	23.996494
"1470145"	319.646397	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H+Na"	23.996494
"1062301"	213.433356666667	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2H+Na"	25.00377
"1267263"	648.329786	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+CH3OH+H"	33.033486
"390946"	1269.555758	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+K"	38.963158
"747930"	1884.852058	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+K"	38.963158
"1547797"	654.259458	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+K"	38.963158
"299502"	635.281517	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+H+K"	39.970434
"694114"	942.929667	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+H+K"	39.970434
"1452310"	327.633367	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H+K"	39.970434
"242005"	1272.626426	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+ACN+H"	42.033826
"1215806"	657.330126	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+ACN+H"	42.033826
"1197504"	329.168701	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+ACN+2H"	43.041102
"198035"	1275.56376	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+2Na-H"	44.97116
"644079"	1890.86006	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+2Na-H"	44.97116
"1142196"	660.26746	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2Na-H"	44.97116
"182206"	638.285518	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+2Na"	45.978436
"626509"	945.933668	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+2Na"	45.978436
"1126367"	330.637368	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2Na"	45.978436
"1406610"	220.760670666667	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H+2Na"	46.985712
"1437632"	662.309046	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H+HCOOH"	47.012746
"233888"	643.31854	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+3H2O+2H"	56.04448
"1516483"	676.36109	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+IsoProp+H"	61.06479
"421637"	646.272488	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+Na+K"	61.952376
"783726"	953.920638	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+Na+K"	61.952376
"1677874"	338.624338	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Na+K"	61.952376
"261115"	1294.608368	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+ACN+Na"	64.015768
"1238198"	679.312068	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+ACN+Na"	64.015768
"1726721"	679.335593	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+NH4+HCOOH"	64.039293
"1192074"	228.087984666667	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+3Na"	68.967654
"1663428"	684.290988	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Na+HCOOH"	68.994688
"161542"	1307.51164	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+2K-H"	76.91904
"605476"	1922.80794	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+2K-H"	76.91904
"1091080"	692.21534	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2K-H"	76.91904
"146806"	654.259458	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"2M+2K"	77.926316
"587459"	961.907608	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"3M+2K"	77.926316
"1075253"	346.611308	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2K"	77.926316
"1105546"	694.229892	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2K+H"	78.933592
"1344846"	694.317507	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+DMSO+H"	79.021207
"1011188"	698.356676	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2ACN+H"	83.060376
"1528220"	699.350308	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+IsoProp+Na+H"	84.054008
"995761"	349.681976	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+2ACN+2H"	84.067652
"1593545"	700.264928	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+K+HCOOH"	84.968628
"1423579"	730.296438	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+H+CF3COOH"	115.000138
"1157146"	370.195251	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+3ACN+2H"	125.094202
"1702324"	747.322985	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+NH4+CF3COOH"	132.026685
"1640162"	752.27838	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+Na+CF3COOH"	136.98208
"1577998"	768.25232	"C00832"	"Paromomycin;Paromomycin I;Aminosidin;Catenulin;Hydroxymycin;Monomycin A;Zygomycin A1;Neomycin E"	"C23H45N5O14"	"615.2963"	"M+K+CF3COOH"	152.95602
"813834"	237.0862	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M"	0
"984817"	218.06781	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-H2O-H"	-19.01839
"73422"	157.050190666667	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M-3H"	-3.021828
"515899"	236.078924	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M-3H"	-3.021828
"888599"	78.0214573333333	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-3H"	-3.021828
"3891"	236.078924	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M-2H"	-2.014552
"446731"	354.622024	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M-2H"	-2.014552
"826722"	117.535824	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-2H"	-2.014552
"85624"	473.165124	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M-H"	-1.007276
"533208"	710.251324	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M-H"	-1.007276
"902988"	236.078924	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-H"	-1.007276
"51893"	490.191671	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M-2H+NH4"	16.019271
"492545"	727.277871	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M-2H+NH4"	16.019271
"867067"	253.105471	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-2H+NH4"	16.019271
"38250"	495.147066	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M-2H+Na"	20.974666
"473070"	732.233266	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M-2H+Na"	20.974666
"849652"	258.060866	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-2H+Na"	20.974666
"1618777"	258.060866	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Na-2H"	20.974666
"95106"	254.067263	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M-H+Cl"	33.962126
"537954"	372.610363	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M-H+Cl"	33.962126
"935845"	135.524163	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-H+Cl"	33.962126
"274400"	509.141802	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+Cl"	34.969402
"662451"	746.228002	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+Cl"	34.969402
"1274854"	272.055602	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Cl"	34.969402
"19600"	511.121006	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M-2H+K"	36.948606
"466814"	748.207206	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M-2H+K"	36.948606
"843895"	274.034806	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-2H+K"	36.948606
"1564834"	274.034806	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+K-2H"	36.948606
"952350"	282.084394	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-H+HCOOH"	44.998194
"370935"	519.170601	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+HCOOH-H"	44.998201
"355910"	533.186251	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+Hac-H"	59.013851
"1500367"	296.100051	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Hac-H"	59.013851
"967908"	304.066351	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-H+NaCOOH"	66.980151
"117907"	272.055602	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+2Cl"	69.938804
"562938"	390.598702	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+2Cl"	69.938804
"1035018"	153.512502	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2Cl"	69.938804
"1250221"	316.005085	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Br"	78.918885
"1310482"	318.061072	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Cl+HCOOH"	80.974872
"1328712"	340.043029	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Cl+NaCOOH"	102.956829
"920134"	350.071786	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M-H+CF3COOH"	112.985586
"1292834"	386.048464	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Cl+CF3COOH"	148.962264
"1372815"	202.073524	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H-2H2O"	-35.012676
"1388124"	220.0835	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H-H2O"	-17.0027
"288906"	475.179676	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+H"	1.007276
"686798"	712.265876	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+H"	1.007276
"1360970"	238.093476	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H"	1.007276
"137140"	238.093476	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+2H"	2.014552
"579256"	356.636576	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+2H"	2.014552
"1051701"	119.550376	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2H"	2.014552
"217415"	159.064742666667	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+3H"	3.021828
"659041"	238.093476	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+3H"	3.021828
"1177534"	80.0360093333333	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+3H"	3.021828
"436550"	492.206223	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+NH4"	18.033823
"799977"	729.292423	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+NH4"	18.033823
"1686223"	255.120023	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+NH4"	18.033823
"339969"	246.6067495	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+H+NH4"	19.041099
"731295"	365.1498495	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+H+NH4"	19.041099
"1482929"	128.0636495	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H+NH4"	19.041099
"401607"	497.161618	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+Na"	22.989218
"762602"	734.247818	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+Na"	22.989218
"1615073"	260.075418	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Na"	22.989218
"324745"	249.084447	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+H+Na"	23.996494
"716071"	367.627547	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+H+Na"	23.996494
"1473171"	130.541347	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H+Na"	23.996494
"1062411"	87.3633233333333	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2H+Na"	25.00377
"1267373"	270.119686	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+CH3OH+H"	33.033486
"390324"	513.135558	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+K"	38.963158
"746948"	750.221758	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+K"	38.963158
"1546814"	276.049358	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+K"	38.963158
"302897"	257.071417	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+H+K"	39.970434
"697507"	375.614517	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+H+K"	39.970434
"1452419"	138.528317	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H+K"	39.970434
"238833"	516.206226	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+ACN+H"	42.033826
"1212637"	279.120026	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+ACN+H"	42.033826
"1196151"	140.063651	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+ACN+2H"	43.041102
"194865"	519.14356	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+2Na-H"	44.97116
"640989"	756.22976	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+2Na-H"	44.97116
"1142306"	282.05736	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2Na-H"	44.97116
"181222"	260.075418	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+2Na"	45.978436
"625889"	378.618518	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+2Na"	45.978436
"1126477"	141.532318	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2Na"	45.978436
"1406720"	94.6906373333333	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H+2Na"	46.985712
"1438835"	284.098946	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H+HCOOH"	47.012746
"224157"	265.10844	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+3H2O+2H"	56.04448
"1516593"	298.15099	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+IsoProp+H"	61.06479
"420654"	268.062388	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+Na+K"	61.952376
"783108"	386.605488	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+Na+K"	61.952376
"1676890"	149.519288	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Na+K"	61.952376
"261225"	538.188168	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+ACN+Na"	64.015768
"1236121"	301.101968	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+ACN+Na"	64.015768
"1723916"	301.125493	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+NH4+HCOOH"	64.039293
"1190726"	102.017951333333	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+3Na"	68.967654
"1663535"	306.080888	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Na+HCOOH"	68.994688
"169299"	551.09144	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+2K-H"	76.91904
"606679"	788.17764	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+2K-H"	76.91904
"1091190"	314.00524	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2K-H"	76.91904
"145821"	276.049358	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"2M+2K"	77.926316
"590851"	394.592458	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"3M+2K"	77.926316
"1074268"	157.506258	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2K"	77.926316
"1110759"	316.019792	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2K+H"	78.933592
"1344956"	316.107407	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+DMSO+H"	79.021207
"1014578"	320.146576	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2ACN+H"	83.060376
"1531610"	321.140208	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+IsoProp+Na+H"	84.054008
"998058"	160.576926	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+2ACN+2H"	84.067652
"1593657"	322.054828	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+K+HCOOH"	84.968628
"1423689"	352.086338	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+H+CF3COOH"	115.000138
"1156164"	181.090201	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+3ACN+2H"	125.094202
"1705714"	369.112885	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+NH4+CF3COOH"	132.026685
"1640272"	374.06828	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+Na+CF3COOH"	136.98208
"1578108"	390.04222	"C00835"	"Sepiapterin"	"C9H11N5O3"	"237.0862"	"M+K+CF3COOH"	152.95602
"811756"	301.2981	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M"	0
"985290"	282.27971	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-H2O-H"	-19.01839
"74625"	199.858124	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M-3H"	-3.021828
"515279"	300.290824	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M-3H"	-3.021828
"886521"	99.425424	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-3H"	-3.021828
"6186"	300.290824	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M-2H"	-2.014552
"447934"	450.939874	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M-2H"	-2.014552
"827925"	149.641774	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-2H"	-2.014552
"85734"	601.588924	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M-H"	-1.007276
"532588"	902.887024	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M-H"	-1.007276
"903098"	300.290824	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-H"	-1.007276
"53097"	618.615471	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M-2H+NH4"	16.019271
"491927"	919.913571	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M-2H+NH4"	16.019271
"867905"	317.317371	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-2H+NH4"	16.019271
"38360"	623.570866	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M-2H+Na"	20.974666
"474273"	924.868966	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M-2H+Na"	20.974666
"850006"	322.272766	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-2H+Na"	20.974666
"1619659"	322.272766	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Na-2H"	20.974666
"95340"	318.279163	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M-H+Cl"	33.962126
"535262"	468.928213	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M-H+Cl"	33.962126
"932673"	167.630113	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-H+Cl"	33.962126
"273416"	637.565602	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+Cl"	34.969402
"662557"	938.863702	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+Cl"	34.969402
"1277148"	336.267502	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Cl"	34.969402
"19710"	639.544806	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M-2H+K"	36.948606
"462551"	940.842906	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M-2H+K"	36.948606
"844733"	338.246706	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-2H+K"	36.948606
"1567859"	338.246706	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+K-2H"	36.948606
"953917"	346.296294	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-H+HCOOH"	44.998194
"372138"	647.594401	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+HCOOH-H"	44.998201
"357113"	661.610051	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+Hac-H"	59.013851
"1505942"	360.311951	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Hac-H"	59.013851
"972026"	368.278251	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-H+NaCOOH"	66.980151
"119110"	336.267502	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+2Cl"	69.938804
"561954"	486.916552	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+2Cl"	69.938804
"1035128"	185.618452	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2Cl"	69.938804
"1251424"	380.216985	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Br"	78.918885
"1311685"	382.272972	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Cl+HCOOH"	80.974872
"1330279"	404.254929	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Cl+NaCOOH"	102.956829
"920244"	414.283686	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M-H+CF3COOH"	112.985586
"1293673"	450.260364	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Cl+CF3COOH"	148.962264
"1371832"	266.285424	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H-2H2O"	-35.012676
"1390420"	284.2954	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H-H2O"	-17.0027
"287923"	603.603476	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+H"	1.007276
"680345"	904.901576	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+H"	1.007276
"1362174"	302.305376	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H"	1.007276
"140166"	302.305376	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+2H"	2.014552
"578640"	452.954426	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+2H"	2.014552
"1049624"	151.656326	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2H"	2.014552
"216797"	201.872676	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+3H"	3.021828
"657085"	302.305376	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+3H"	3.021828
"1174483"	101.439976	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+3H"	3.021828
"436661"	620.630023	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+NH4"	18.033823
"796563"	921.928123	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+NH4"	18.033823
"1686333"	319.331923	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+NH4"	18.033823
"340079"	310.8186495	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+H+NH4"	19.041099
"729218"	461.4676995	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+H+NH4"	19.041099
"1484132"	160.1695995	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H+NH4"	19.041099
"401717"	625.585418	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+Na"	22.989218
"763806"	926.883518	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+Na"	22.989218
"1615911"	324.287318	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Na"	22.989218
"325948"	313.296347	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+H+Na"	23.996494
"717639"	463.945397	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+H+Na"	23.996494
"1472551"	162.647297	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H+Na"	23.996494
"1065801"	108.76729	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2H+Na"	25.00377
"1269671"	334.331586	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+CH3OH+H"	33.033486
"389341"	641.559358	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+K"	38.963158
"744871"	942.857458	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+K"	38.963158
"1544737"	340.261258	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+K"	38.963158
"300820"	321.283317	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+H+K"	39.970434
"696522"	471.932367	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+H+K"	39.970434
"1449249"	170.634267	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H+K"	39.970434
"237240"	644.630026	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+ACN+H"	42.033826
"1211287"	343.331926	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+ACN+H"	42.033826
"1196014"	172.169601	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+ACN+2H"	43.041102
"194975"	647.56736	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+2Na-H"	44.97116
"638911"	948.86546	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+2Na-H"	44.97116
"1140229"	346.26926	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2Na-H"	44.97116
"180239"	324.287318	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+2Na"	45.978436
"623084"	474.936368	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+2Na"	45.978436
"1125495"	173.638268	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2Na"	45.978436
"1409016"	116.094604	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H+2Na"	46.985712
"1439676"	348.310846	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H+HCOOH"	47.012746
"230827"	329.32034	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+3H2O+2H"	56.04448
"1517797"	362.36289	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+IsoProp+H"	61.06479
"416391"	332.274288	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+Na+K"	61.952376
"775565"	482.923338	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+Na+K"	61.952376
"1675907"	181.625238	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Na+K"	61.952376
"261335"	666.611968	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+ACN+Na"	64.015768
"1239999"	365.313868	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+ACN+Na"	64.015768
"1726820"	365.337393	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+NH4+HCOOH"	64.039293
"1190837"	123.421918	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+3Na"	68.967654
"1661457"	370.292788	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Na+HCOOH"	68.994688
"168316"	679.51524	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+2K-H"	76.91904
"605695"	980.81334	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+2K-H"	76.91904
"1093487"	378.21714	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2K-H"	76.91904
"145932"	340.261258	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"2M+2K"	77.926316
"590961"	490.910308	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"3M+2K"	77.926316
"1074378"	189.612208	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2K"	77.926316
"1111962"	380.231692	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2K+H"	78.933592
"1346158"	380.319307	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+DMSO+H"	79.021207
"1013595"	384.358476	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2ACN+H"	83.060376
"1533908"	385.352108	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+IsoProp+Na+H"	84.054008
"999262"	192.682876	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+2ACN+2H"	84.067652
"1595953"	386.266728	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+K+HCOOH"	84.968628
"1422706"	416.298238	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+H+CF3COOH"	115.000138
"1157367"	213.196151	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+3ACN+2H"	125.094202
"1706917"	433.324785	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+NH4+CF3COOH"	132.026685
"1640382"	438.28018	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+Na+CF3COOH"	136.98208
"1578218"	454.25412	"C00836"	"Sphinganine;Dihydrosphingosine;2-Amino-13-dihydroxyoctadecane"	"C18H39NO2"	"301.2981"	"M+K+CF3COOH"	152.95602
"811866"	262.139	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M"	0
"985400"	243.12061	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-H2O-H"	-19.01839
"74735"	173.752057333333	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M-3H"	-3.021828
"515389"	261.131724	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M-3H"	-3.021828
"886631"	86.3723906666667	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-3H"	-3.021828
"4110"	261.131724	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M-2H"	-2.014552
"448044"	392.201224	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M-2H"	-2.014552
"828035"	130.062224	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-2H"	-2.014552
"89118"	523.270724	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M-H"	-1.007276
"533791"	785.409724	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M-H"	-1.007276
"910620"	261.131724	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-H"	-1.007276
"53208"	540.297271	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M-2H+NH4"	16.019271
"492768"	802.436271	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M-2H+NH4"	16.019271
"865827"	278.158271	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-2H+NH4"	16.019271
"34095"	545.252666	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M-2H+Na"	20.974666
"472561"	807.391666	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M-2H+Na"	20.974666
"849750"	283.113666	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-2H+Na"	20.974666
"1620990"	283.113666	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Na-2H"	20.974666
"95326"	279.120063	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M-H+Cl"	33.962126
"535986"	410.189563	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M-H+Cl"	33.962126
"932783"	148.050563	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-H+Cl"	33.962126
"268540"	559.247402	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+Cl"	34.969402
"660962"	821.386402	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+Cl"	34.969402
"1275071"	297.108402	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Cl"	34.969402
"20912"	561.226606	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M-2H+K"	36.948606
"462661"	823.365606	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M-2H+K"	36.948606
"845572"	299.087606	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-2H+K"	36.948606
"1569428"	299.087606	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+K-2H"	36.948606
"951840"	307.137194	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-H+HCOOH"	44.998194
"373340"	569.276201	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+HCOOH-H"	44.998201
"357952"	583.291851	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+Hac-H"	59.013851
"1507145"	321.152851	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Hac-H"	59.013851
"972500"	329.119151	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-H+NaCOOH"	66.980151
"119220"	297.108402	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+2Cl"	69.938804
"561338"	428.177902	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+2Cl"	69.938804
"1033781"	166.038902	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2Cl"	69.938804
"1253722"	341.057885	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Br"	78.918885
"1313983"	343.113872	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Cl+HCOOH"	80.974872
"1327110"	365.095829	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Cl+NaCOOH"	102.956829
"920357"	375.124586	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M-H+CF3COOH"	112.985586
"1295970"	411.101264	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Cl+CF3COOH"	148.962264
"1375224"	227.126324	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H-2H2O"	-35.012676
"1391625"	245.1363	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H-H2O"	-17.0027
"288033"	525.285276	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+H"	1.007276
"683374"	787.424276	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+H"	1.007276
"1364471"	263.146276	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H"	1.007276
"140765"	263.146276	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+2H"	2.014552
"581060"	394.215776	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+2H"	2.014552
"1052659"	132.076776	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2H"	2.014552
"219789"	175.766609333333	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+3H"	3.021828
"659890"	263.146276	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+3H"	3.021828
"1178465"	88.3869426666667	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+3H"	3.021828
"439732"	542.311823	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+NH4"	18.033823
"800319"	804.450823	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+NH4"	18.033823
"1693733"	280.172823	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+NH4"	18.033823
"335815"	271.6595495	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+H+NH4"	19.041099
"733705"	402.7290495	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+H+NH4"	19.041099
"1490076"	140.5900495	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H+NH4"	19.041099
"407866"	547.267218	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+Na"	22.989218
"769022"	809.406218	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+Na"	22.989218
"1614200"	285.128218	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Na"	22.989218
"329340"	274.137247	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+H+Na"	23.996494
"718844"	405.206747	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+H+Na"	23.996494
"1473756"	143.067747	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H+Na"	23.996494
"1065913"	95.7142566666667	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2H+Na"	25.00377
"1272502"	295.172486	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+CH3OH+H"	33.033486
"392796"	563.241158	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+K"	38.963158
"741701"	825.380158	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+K"	38.963158
"1550314"	301.102158	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+K"	38.963158
"304211"	282.124217	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+H+K"	39.970434
"694448"	413.193717	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+H+K"	39.970434
"1447296"	151.054717	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H+K"	39.970434
"237231"	566.311826	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+ACN+H"	42.033826
"1210547"	304.172826	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+ACN+H"	42.033826
"1198930"	152.590051	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+ACN+2H"	43.041102
"198366"	569.24916	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+2Na-H"	44.97116
"640847"	831.38816	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+2Na-H"	44.97116
"1142528"	307.11016	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2Na-H"	44.97116
"182540"	285.128218	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+2Na"	45.978436
"623195"	416.197718	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+2Na"	45.978436
"1123421"	154.058718	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2Na"	45.978436
"1408037"	103.041570666667	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H+2Na"	46.985712
"1439058"	309.151746	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H+HCOOH"	47.012746
"228751"	290.16124	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+3H2O+2H"	56.04448
"1518636"	323.20379	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+IsoProp+H"	61.06479
"413222"	293.115188	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+Na+K"	61.952376
"774218"	424.184688	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+Na+K"	61.952376
"1678204"	162.045688	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Na+K"	61.952376
"266754"	588.293768	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+ACN+Na"	64.015768
"1239621"	326.154768	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+ACN+Na"	64.015768
"1727413"	326.178293	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+NH4+HCOOH"	64.039293
"1193377"	110.368884666667	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+3Na"	68.967654
"1660474"	331.133688	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Na+HCOOH"	68.994688
"172195"	601.19704	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+2K-H"	76.91904
"611275"	863.33604	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+2K-H"	76.91904
"1095785"	339.05804	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2K-H"	76.91904
"155277"	301.102158	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"2M+2K"	77.926316
"593257"	432.171658	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"3M+2K"	77.926316
"1081049"	170.032658	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2K"	77.926316
"1114139"	341.072592	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2K+H"	78.933592
"1347363"	341.160207	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+DMSO+H"	79.021207
"1016986"	345.199376	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2ACN+H"	83.060376
"1535112"	346.193008	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+IsoProp+Na+H"	84.054008
"1004964"	173.103326	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+2ACN+2H"	84.067652
"1597157"	347.107628	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+K+HCOOH"	84.968628
"1425002"	377.139138	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+H+CF3COOH"	115.000138
"1158570"	193.616601	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+3ACN+2H"	125.094202
"1707027"	394.165685	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+NH4+CF3COOH"	132.026685
"1643772"	399.12108	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+Na+CF3COOH"	136.98208
"1578328"	415.09502	"C00837"	"Streptidine"	"C8H18N6O4"	"262.139"	"M+K+CF3COOH"	152.95602
"805415"	202.0266	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M"	0
"982229"	183.00821	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H2O-H"	-19.01839
"63910"	133.677124	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-3H"	-3.021828
"505658"	201.019324	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-3H"	-3.021828
"881636"	66.334924	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-3H"	-3.021828
"943"	201.019324	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H"	-2.014552
"441228"	302.032624	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H"	-2.014552
"832526"	100.006024	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H"	-2.014552
"93937"	403.045924	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-H"	-1.007276
"533901"	605.072524	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-H"	-1.007276
"904411"	201.019324	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H"	-1.007276
"52588"	420.072471	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H+NH4"	16.019271
"489959"	622.099071	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H+NH4"	16.019271
"865939"	218.045871	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H+NH4"	16.019271
"31772"	425.027866	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H+Na"	20.974666
"479236"	627.054466	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H+Na"	20.974666
"854851"	223.001266	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H+Na"	20.974666
"1625477"	223.001266	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na-2H"	20.974666
"100915"	219.007663	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-H+Cl"	33.962126
"549223"	320.020963	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-H+Cl"	33.962126
"931804"	117.994363	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+Cl"	33.962126
"275828"	439.022602	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Cl"	34.969402
"670440"	641.049202	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+Cl"	34.969402
"1281751"	236.996002	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl"	34.969402
"29054"	441.001806	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M-2H+K"	36.948606
"468977"	643.028406	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M-2H+K"	36.948606
"846412"	238.975206	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-2H+K"	36.948606
"1567348"	238.975206	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K-2H"	36.948606
"956695"	247.024794	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+HCOOH"	44.998194
"372359"	449.051401	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+HCOOH-H"	44.998201
"358791"	463.067051	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Hac-H"	59.013851
"1505073"	261.040451	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Hac-H"	59.013851
"971527"	269.006751	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+NaCOOH"	66.980151
"121891"	236.996002	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2Cl"	69.938804
"561085"	338.009302	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2Cl"	69.938804
"1030979"	135.982702	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2Cl"	69.938804
"1253477"	280.945485	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Br"	78.918885
"1315196"	283.001472	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl+HCOOH"	80.974872
"1328318"	304.983429	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl+NaCOOH"	102.956829
"923385"	315.012186	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M-H+CF3COOH"	112.985586
"1298269"	350.988864	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Cl+CF3COOH"	148.962264
"1375338"	167.013924	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H-2H2O"	-35.012676
"1393931"	185.0239	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H-H2O"	-17.0027
"291435"	405.060476	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H"	1.007276
"691112"	607.087076	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H"	1.007276
"1366930"	203.033876	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H"	1.007276
"141290"	203.033876	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2H"	2.014552
"580315"	304.047176	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2H"	2.014552
"1051301"	102.020576	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2H"	2.014552
"219447"	135.691676	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+3H"	3.021828
"659738"	203.033876	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+3H"	3.021828
"1177984"	68.349476	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+3H"	3.021828
"438464"	422.087023	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+NH4"	18.033823
"795690"	624.113623	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+NH4"	18.033823
"1690927"	220.060423	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+NH4"	18.033823
"341393"	211.5471495	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H+NH4"	19.041099
"736002"	312.5604495	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H+NH4"	19.041099
"1491644"	110.5338495	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+NH4"	19.041099
"404128"	427.042418	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Na"	22.989218
"766213"	629.069018	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+Na"	22.989218
"1616496"	225.015818	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na"	22.989218
"328356"	214.024847	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H+Na"	23.996494
"721512"	315.038147	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H+Na"	23.996494
"1474972"	113.011547	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+Na"	23.996494
"1058377"	75.67679	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2H+Na"	25.00377
"1267711"	235.060086	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+CH3OH+H"	33.033486
"383005"	443.016358	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+K"	38.963158
"740715"	645.042958	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+K"	38.963158
"1543868"	240.989758	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K"	38.963158
"302137"	222.011817	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+H+K"	39.970434
"694559"	323.025117	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+H+K"	39.970434
"1459319"	120.998517	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+K"	39.970434
"243547"	446.087026	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+ACN+H"	42.033826
"1219535"	244.060426	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+ACN+H"	42.033826
"1206337"	122.533851	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+ACN+2H"	43.041102
"199570"	449.02436	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2Na-H"	44.97116
"640226"	651.05096	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2Na-H"	44.97116
"1141545"	246.99776	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2Na-H"	44.97116
"181188"	225.015818	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2Na"	45.978436
"623665"	326.029118	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2Na"	45.978436
"1125714"	124.002518	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2Na"	45.978436
"1409239"	83.004104	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+2Na"	46.985712
"1442813"	249.039346	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+HCOOH"	47.012746
"233235"	230.04884	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+3H2O+2H"	56.04448
"1519110"	263.09139	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+IsoProp+H"	61.06479
"418799"	233.002788	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+Na+K"	61.952376
"779793"	334.016088	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+Na+K"	61.952376
"1677221"	131.989488	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na+K"	61.952376
"261555"	468.068968	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+ACN+Na"	64.015768
"1239610"	266.042368	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+ACN+Na"	64.015768
"1727855"	266.065893	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+NH4+HCOOH"	64.039293
"1193732"	90.331418	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+3Na"	68.967654
"1664599"	271.021288	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na+HCOOH"	68.994688
"172312"	480.97224	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2K-H"	76.91904
"610658"	682.99884	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2K-H"	76.91904
"1095898"	278.94564	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2K-H"	76.91904
"152713"	240.989758	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"2M+2K"	77.926316
"590086"	342.003058	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"3M+2K"	77.926316
"1080065"	139.976458	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2K"	77.926316
"1105623"	280.960192	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2K+H"	78.933592
"1342006"	281.047807	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+DMSO+H"	79.021207
"1011630"	285.086976	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2ACN+H"	83.060376
"1534127"	286.080608	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+IsoProp+Na+H"	84.054008
"998387"	143.047126	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+2ACN+2H"	84.067652
"1596171"	286.995228	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K+HCOOH"	84.968628
"1418549"	317.026738	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+H+CF3COOH"	115.000138
"1150294"	163.560401	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+3ACN+2H"	125.094202
"1703856"	334.053285	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+NH4+CF3COOH"	132.026685
"1639505"	339.00868	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+Na+CF3COOH"	136.98208
"1585001"	354.98262	"C00841"	"Xanthotoxol;8-Hydroxypsoralen;8-Hydroxyfuranocoumarin"	"C11H6O4"	"202.0266"	"M+K+CF3COOH"	152.95602
"808805"	564.0758	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M"	0
"979059"	545.05741	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-H2O-H"	-19.01839
"68394"	375.043257333333	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M-3H"	-3.021828
"505038"	563.068524	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M-3H"	-3.021828
"882839"	187.017990666667	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-3H"	-3.021828
"1053"	563.068524	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M-2H"	-2.014552
"440612"	845.106424	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M-2H"	-2.014552
"831178"	281.030624	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-2H"	-2.014552
"92508"	1127.144324	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M-H"	-1.007276
"533281"	1691.220124	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M-H"	-1.007276
"906708"	563.068524	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-H"	-1.007276
"52334"	1144.170871	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M-2H+NH4"	16.019271
"491164"	1708.246671	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M-2H+NH4"	16.019271
"866048"	580.095071	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-2H+NH4"	16.019271
"33581"	1149.126266	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M-2H+Na"	20.974666
"479346"	1713.202066	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M-2H+Na"	20.974666
"853868"	585.050466	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-2H+Na"	20.974666
"1624494"	585.050466	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Na-2H"	20.974666
"104305"	581.056863	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M-H+Cl"	33.962126
"549212"	863.094763	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M-H+Cl"	33.962126
"935194"	299.018963	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-H+Cl"	33.962126
"281406"	1163.121002	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+Cl"	34.969402
"670550"	1727.196802	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+Cl"	34.969402
"1281861"	599.045202	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Cl"	34.969402
"29164"	1165.100206	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M-2H+K"	36.948606
"469087"	1729.176006	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M-2H+K"	36.948606
"845064"	601.024406	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-2H+K"	36.948606
"1567458"	601.024406	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+K-2H"	36.948606
"958019"	609.073994	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-H+HCOOH"	44.998194
"374288"	1173.149801	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+HCOOH-H"	44.998201
"358172"	1187.165451	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+Hac-H"	59.013851
"1505183"	623.089651	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Hac-H"	59.013851
"970181"	631.055951	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-H+NaCOOH"	66.980151
"121637"	599.045202	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+2Cl"	69.938804
"562655"	881.083102	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+2Cl"	69.938804
"1032912"	317.007302	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2Cl"	69.938804
"1252857"	642.994685	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Br"	78.918885
"1315305"	645.050672	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Cl+HCOOH"	80.974872
"1331344"	667.032629	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Cl+NaCOOH"	102.956829
"924588"	677.061386	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M-H+CF3COOH"	112.985586
"1299472"	713.038064	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Cl+CF3COOH"	148.962264
"1371072"	529.063124	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H-2H2O"	-35.012676
"1392220"	547.0731	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H-H2O"	-17.0027
"290452"	1129.158876	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+H"	1.007276
"688344"	1693.234676	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+H"	1.007276
"1365548"	565.083076	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H"	1.007276
"140991"	565.083076	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+2H"	2.014552
"581279"	847.120976	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+2H"	2.014552
"1052629"	283.045176	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2H"	2.014552
"219073"	377.057809333333	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+3H"	3.021828
"659825"	565.083076	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+3H"	3.021828
"1177367"	189.032542666667	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+3H"	3.021828
"438085"	1146.185423	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+NH4"	18.033823
"797986"	1710.261223	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+NH4"	18.033823
"1691037"	582.109623	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+NH4"	18.033823
"345396"	573.5963495	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+H+NH4"	19.041099
"736113"	855.6342495	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+H+NH4"	19.041099
"1492244"	291.5584495	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H+NH4"	19.041099
"403874"	1151.140818	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+Na"	22.989218
"766323"	1715.216618	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+Na"	22.989218
"1616244"	587.065018	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Na"	22.989218
"327738"	576.074047	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+H+Na"	23.996494
"719070"	858.111947	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+H+Na"	23.996494
"1473988"	294.036147	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H+Na"	23.996494
"1059581"	196.359856666667	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2H+Na"	25.00377
"1264541"	597.109286	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+CH3OH+H"	33.033486
"380199"	1167.114758	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+K"	38.963158
"743011"	1731.190558	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+K"	38.963158
"1543974"	603.038958	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+K"	38.963158
"302247"	584.061017	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+H+K"	39.970434
"694669"	866.098917	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+H+K"	39.970434
"1452868"	302.023117	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H+K"	39.970434
"243657"	1170.185426	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+ACN+H"	42.033826
"1218551"	606.109626	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+ACN+H"	42.033826
"1200613"	303.558451	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+ACN+2H"	43.041102
"200410"	1173.12276	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+2Na-H"	44.97116
"639241"	1737.19856	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+2Na-H"	44.97116
"1140562"	609.04696	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2Na-H"	44.97116
"182027"	587.065018	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+2Na"	45.978436
"623411"	869.102918	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+2Na"	45.978436
"1124364"	305.027118	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2Na"	45.978436
"1404607"	203.687170666667	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H+2Na"	46.985712
"1442558"	611.088546	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H+HCOOH"	47.012746
"232252"	592.09804	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+3H2O+2H"	56.04448
"1520314"	625.14059	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+IsoProp+H"	61.06479
"421096"	595.051988	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+Na+K"	61.952376
"778810"	877.089888	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+Na+K"	61.952376
"1679397"	313.014088	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Na+K"	61.952376
"261665"	1192.167368	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+ACN+Na"	64.015768
"1239599"	628.091568	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+ACN+Na"	64.015768
"1728237"	628.115093	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+NH4+HCOOH"	64.039293
"1193475"	211.014484666667	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+3Na"	68.967654
"1665396"	633.070488	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Na+HCOOH"	68.994688
"170836"	1205.07064	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+2K-H"	76.91904
"610404"	1769.14644	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+2K-H"	76.91904
"1093821"	640.99484	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2K-H"	76.91904
"151730"	603.038958	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"2M+2K"	77.926316
"586916"	885.076858	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"3M+2K"	77.926316
"1077988"	321.001058	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2K"	77.926316
"1104640"	643.009392	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2K+H"	78.933592
"1339930"	643.097007	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+DMSO+H"	79.021207
"1010647"	647.136176	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2ACN+H"	83.060376
"1530957"	648.129808	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+IsoProp+Na+H"	84.054008
"995217"	324.071726	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+2ACN+2H"	84.067652
"1596281"	649.044428	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+K+HCOOH"	84.968628
"1418659"	679.075938	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+H+CF3COOH"	115.000138
"1148216"	344.585001	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+3ACN+2H"	125.094202
"1703966"	696.102485	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+NH4+CF3COOH"	132.026685
"1638522"	701.05788	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+Na+CF3COOH"	136.98208
"1585111"	717.03182	"C00842"	"dTDP-glucose;dTDP-D-glucose;dTDP-alpha-D-glucose"	"C16H26N2O16P2"	"564.0758"	"M+K+CF3COOH"	152.95602
"812196"	154.1358	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M"	0
"988646"	135.11741	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"66317"	101.749924	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"511347"	153.128524	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"884772"	50.371324	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"4443"	153.128524	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"445097"	230.196424	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"830559"	76.060624	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"92381"	307.264324	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"531573"	461.400124	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"906818"	153.128524	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"52444"	324.290871	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"490910"	478.426671	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"865915"	170.155071	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"32598"	329.246266	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"479456"	483.382066	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"853978"	175.110466	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1624604"	175.110466	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"101134"	171.116863	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"548837"	248.184763	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"935304"	94.048963	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"272767"	343.241002	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"664098"	497.376802	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1278690"	189.105202	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"27448"	345.220206	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468832"	499.356006	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846268"	191.084406	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1567568"	191.084406	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"957521"	199.133994	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"375128"	353.269801	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"359737"	367.285451	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1500915"	213.149651	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"972110"	221.115951	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"120652"	189.105202	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"561304"	266.173102	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1030104"	112.037302	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1255155"	233.054685	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1317968"	235.110672	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1334005"	257.092629	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"922876"	267.121386	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1302136"	303.098064	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1373370"	119.123124	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1394880"	137.1331	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"293842"	309.278876	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"686264"	463.414676	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1366264"	155.143076	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H"	1.007276
"140741"	155.143076	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"580988"	232.210976	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1052381"	78.075176	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"219674"	103.764476	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"659683"	155.143076	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1178172"	52.385876	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"439823"	326.305423	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"800857"	480.441223	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1693700"	172.169623	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"343071"	163.6563495	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"735859"	240.7242495	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1492361"	86.5884495	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"406779"	331.260818	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"767163"	485.396618	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1615991"	177.125018	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"327000"	166.134047	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"721737"	243.201947	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1473006"	89.066147	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1058598"	59.71319	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1266838"	187.169286	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"391731"	347.234758	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"740940"	501.370558	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1542990"	193.098958	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+K"	38.963158
"303452"	174.121017	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"696967"	251.188917	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449697"	97.053117	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"243765"	350.305426	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1219756"	196.169626	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1205463"	98.588451	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"199791"	353.24276	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"641903"	507.37856	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1143590"	199.10696	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"183961"	177.125018	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"625708"	254.192918	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1125932"	100.057118	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1407269"	67.040504	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1443763"	201.148546	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"233455"	182.15804	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1519331"	215.20059	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"420113"	185.111988	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"778920"	262.179888	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1679628"	108.044088	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"262868"	372.287368	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1239951"	218.151568	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1728194"	218.175093	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1193097"	74.367818	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1665140"	223.130488	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"169853"	385.19064	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"602130"	539.32644	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1092109"	231.05484	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"149654"	193.098958	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"588119"	270.166858	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1081379"	116.031058	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1105844"	233.069392	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1342228"	233.157007	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1011849"	237.196176	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1531068"	238.189808	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"997514"	119.101726	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1595298"	239.104428	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1422050"	269.135938	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1152338"	139.615001	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1704076"	286.162485	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1637539"	291.11788	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1585221"	307.09182	"C00843"	"(-)-Menthone;l-Menthone;p-Menthan-3-one"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"805745"	295.1056	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M"	0
"982559"	276.08721	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-H2O-H"	-19.01839
"67520"	195.729790666667	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M-3H"	-3.021828
"513643"	294.098324	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M-3H"	-3.021828
"883789"	97.3612573333333	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-3H"	-3.021828
"5646"	294.098324	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M-2H"	-2.014552
"446300"	441.651124	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M-2H"	-2.014552
"831763"	146.545524	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-2H"	-2.014552
"92127"	589.203924	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M-H"	-1.007276
"531683"	884.309524	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M-H"	-1.007276
"906928"	294.098324	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-H"	-1.007276
"52554"	606.230471	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M-2H+NH4"	16.019271
"492114"	901.336071	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M-2H+NH4"	16.019271
"867481"	311.124871	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-2H+NH4"	16.019271
"33557"	611.185866	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M-2H+Na"	20.974666
"476286"	906.291466	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M-2H+Na"	20.974666
"854088"	316.080266	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-2H+Na"	20.974666
"1627994"	316.080266	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Na-2H"	20.974666
"102337"	312.086663	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M-H+Cl"	33.962126
"548826"	459.639463	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M-H+Cl"	33.962126
"935414"	164.533863	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-H+Cl"	33.962126
"277250"	625.180602	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+Cl"	34.969402
"661292"	920.286202	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+Cl"	34.969402
"1278800"	330.075002	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Cl"	34.969402
"27919"	627.159806	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M-2H+K"	36.948606
"466389"	922.265406	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M-2H+K"	36.948606
"842002"	332.054206	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-2H+K"	36.948606
"1561115"	332.054206	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+K-2H"	36.948606
"950092"	340.103794	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-H+HCOOH"	44.998194
"364294"	635.209401	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+HCOOH-H"	44.998201
"349271"	649.225051	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+Hac-H"	59.013851
"1495188"	354.119451	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Hac-H"	59.013851
"971125"	362.085751	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-H+NaCOOH"	66.980151
"122581"	330.075002	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+2Cl"	69.938804
"562505"	477.627802	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+2Cl"	69.938804
"1033491"	182.522202	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2Cl"	69.938804
"1254534"	374.024485	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Br"	78.918885
"1314796"	376.080472	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Cl+HCOOH"	80.974872
"1332292"	398.062429	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Cl+NaCOOH"	102.956829
"923716"	408.091186	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M-H+CF3COOH"	112.985586
"1299691"	444.067864	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Cl+CF3COOH"	148.962264
"1374573"	260.092924	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H-2H2O"	-35.012676
"1393166"	278.1029	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H-H2O"	-17.0027
"293949"	591.218476	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+H"	1.007276
"685280"	886.324076	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+H"	1.007276
"1366132"	296.112876	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H"	1.007276
"140359"	296.112876	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+2H"	2.014552
"581017"	443.665676	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+2H"	2.014552
"1052491"	148.560076	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2H"	2.014552
"218938"	197.744342666667	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+3H"	3.021828
"659345"	296.112876	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+3H"	3.021828
"1177713"	99.3758093333333	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+3H"	3.021828
"439281"	608.245023	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+NH4"	18.033823
"800765"	903.350623	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+NH4"	18.033823
"1693444"	313.139423	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+NH4"	18.033823
"343913"	304.6261495	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+H+NH4"	19.041099
"737920"	452.1789495	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+H+NH4"	19.041099
"1492107"	157.0733495	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H+NH4"	19.041099
"406645"	613.200418	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+Na"	22.989218
"768976"	908.306018	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+Na"	22.989218
"1617563"	318.094818	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Na"	22.989218
"328692"	307.103847	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+H+Na"	23.996494
"721964"	454.656647	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+H+Na"	23.996494
"1473116"	159.551047	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H+Na"	23.996494
"1056885"	106.703123333333	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2H+Na"	25.00377
"1261481"	328.139086	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+CH3OH+H"	33.033486
"389895"	629.174358	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+K"	38.963158
"743236"	924.279958	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+K"	38.963158
"1545289"	334.068758	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+K"	38.963158
"303555"	315.090817	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+H+K"	39.970434
"698171"	462.643617	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+H+K"	39.970434
"1449800"	167.538017	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H+K"	39.970434
"243875"	632.245026	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+ACN+H"	42.033826
"1220959"	337.139426	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+ACN+H"	42.033826
"1205573"	169.073351	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+ACN+2H"	43.041102
"200994"	635.18236	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+2Na-H"	44.97116
"641651"	930.28796	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+2Na-H"	44.97116
"1142972"	340.07676	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2Na-H"	44.97116
"186260"	318.094818	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+2Na"	45.978436
"625455"	465.647618	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+2Na"	45.978436
"1126042"	170.542018	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2Na"	45.978436
"1407379"	114.030437333333	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H+2Na"	46.985712
"1443266"	342.118346	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H+HCOOH"	47.012746
"233932"	323.12784	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+3H2O+2H"	56.04448
"1520534"	356.17039	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+IsoProp+H"	61.06479
"420223"	326.081788	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+Na+K"	61.952376
"779030"	473.634588	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+Na+K"	61.952376
"1678645"	178.528988	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Na+K"	61.952376
"264071"	654.226968	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+ACN+Na"	64.015768
"1239819"	359.121368	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+ACN+Na"	64.015768
"1726160"	359.144893	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+NH4+HCOOH"	64.039293
"1192114"	121.357751333333	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+3Na"	68.967654
"1663101"	364.100288	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Na+HCOOH"	68.994688
"171056"	667.13024	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+2K-H"	76.91904
"601511"	962.23584	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+2K-H"	76.91904
"1091126"	372.02464	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2K-H"	76.91904
"149764"	334.068758	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"2M+2K"	77.926316
"590416"	481.621558	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"3M+2K"	77.926316
"1081489"	186.515958	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2K"	77.926316
"1103767"	374.039192	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2K+H"	78.933592
"1342338"	374.126807	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+DMSO+H"	79.021207
"1010867"	378.165976	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2ACN+H"	83.060376
"1532271"	379.159608	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+IsoProp+Na+H"	84.054008
"997624"	189.586626	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+2ACN+2H"	84.067652
"1594315"	380.074228	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+K+HCOOH"	84.968628
"1418880"	410.105738	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+H+CF3COOH"	115.000138
"1152448"	210.099901	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+3ACN+2H"	125.094202
"1703093"	427.132285	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+NH4+CF3COOH"	132.026685
"1638742"	432.08768	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+Na+CF3COOH"	136.98208
"1585331"	448.06162	"C00844"	"Prunasin;(R)-Prunasin"	"C14H17NO6"	"295.1056"	"M+K+CF3COOH"	152.95602
"805855"	861.1207	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M"	0
"982669"	842.10231	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-H2O-H"	-19.01839
"65444"	573.073190666667	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M-3H"	-3.021828
"512660"	860.113424	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M-3H"	-3.021828
"880862"	286.032957333333	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-3H"	-3.021828
"2836"	860.113424	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M-2H"	-2.014552
"448597"	1290.673774	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M-2H"	-2.014552
"830779"	429.553074	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-2H"	-2.014552
"90050"	1721.234124	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M-H"	-1.007276
"532154"	2582.354824	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M-H"	-1.007276
"907038"	860.113424	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-H"	-1.007276
"54851"	1738.260671	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M-2H+NH4"	16.019271
"490401"	2599.381371	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M-2H+NH4"	16.019271
"867840"	877.139971	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-2H+NH4"	16.019271
"34277"	1743.216066	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M-2H+Na"	20.974666
"477489"	2604.336766	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M-2H+Na"	20.974666
"854198"	882.095366	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-2H+Na"	20.974666
"1628104"	882.095366	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Na-2H"	20.974666
"101354"	878.101763	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M-H+Cl"	33.962126
"548571"	1308.662113	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M-H+Cl"	33.962126
"932243"	447.541413	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-H+Cl"	33.962126
"276267"	1757.210802	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+Cl"	34.969402
"664317"	2618.331502	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+Cl"	34.969402
"1278910"	896.090102	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Cl"	34.969402
"23655"	1759.190006	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M-2H+K"	36.948606
"463216"	2620.310706	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M-2H+K"	36.948606
"838831"	898.069306	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-2H+K"	36.948606
"1560131"	898.069306	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+K-2H"	36.948606
"949109"	906.118894	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-H+HCOOH"	44.998194
"364768"	1767.239601	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+HCOOH-H"	44.998201
"349014"	1781.255251	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+Hac-H"	59.013851
"1496755"	920.134551	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Hac-H"	59.013851
"967586"	928.100851	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-H+NaCOOH"	66.980151
"113577"	896.090102	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+2Cl"	69.938804
"559334"	1326.650452	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+2Cl"	69.938804
"1029227"	465.529752	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2Cl"	69.938804
"1252457"	940.039585	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Br"	78.918885
"1316000"	942.095572	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Cl+HCOOH"	80.974872
"1329849"	964.077529	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Cl+NaCOOH"	102.956829
"922731"	974.106286	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M-H+CF3COOH"	112.985586
"1295427"	1010.082964	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Cl+CF3COOH"	148.962264
"1374684"	826.108024	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H-2H2O"	-35.012676
"1387443"	844.118	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H-H2O"	-17.0027
"296975"	1723.248676	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+H"	1.007276
"688670"	2584.369376	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+H"	1.007276
"1366609"	862.127976	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H"	1.007276
"141266"	862.127976	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+2H"	2.014552
"581318"	1292.688326	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+2H"	2.014552
"1052681"	431.567626	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2H"	2.014552
"219532"	575.087742666667	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+3H"	3.021828
"659937"	862.127976	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+3H"	3.021828
"1178150"	288.047509333333	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+3H"	3.021828
"439918"	1740.275223	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+NH4"	18.033823
"801284"	2601.395923	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+NH4"	18.033823
"1696845"	879.154523	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+NH4"	18.033823
"345483"	870.6412495	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+H+NH4"	19.041099
"738417"	1301.2015995	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+H+NH4"	19.041099
"1492495"	440.0808995	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H+NH4"	19.041099
"408337"	1745.230618	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+Na"	22.989218
"769922"	2606.351318	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+Na"	22.989218
"1616937"	884.109918	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Na"	22.989218
"326972"	873.118947	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+H+Na"	23.996494
"720495"	1303.679297	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+H+Na"	23.996494
"1467757"	442.558597	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H+Na"	23.996494
"1055901"	295.374823333333	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2H+Na"	25.00377
"1258673"	894.154186	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+CH3OH+H"	33.033486
"384535"	1761.204558	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+K"	38.963158
"745529"	2622.325258	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+K"	38.963158
"1545399"	900.083858	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+K"	38.963158
"303667"	881.105917	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+H+K"	39.970434
"697187"	1311.666267	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+H+K"	39.970434
"1449910"	450.545567	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H+K"	39.970434
"246900"	1764.275226	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+ACN+H"	42.033826
"1219975"	903.154526	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+ACN+H"	42.033826
"1206048"	452.080901	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+ACN+2H"	43.041102
"198917"	1767.21256	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+2Na-H"	44.97116
"639571"	2628.33326	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+2Na-H"	44.97116
"1143082"	906.09186	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2Na-H"	44.97116
"184181"	884.109918	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+2Na"	45.978436
"622649"	1314.670268	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+2Na"	45.978436
"1123236"	453.549568	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2Na"	45.978436
"1403480"	302.702137333333	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H+2Na"	46.985712
"1439606"	908.133446	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H+HCOOH"	47.012746
"230394"	889.14294	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+3H2O+2H"	56.04448
"1517364"	922.18549	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+IsoProp+H"	61.06479
"415960"	892.096888	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+Na+K"	61.952376
"778047"	1322.657238	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+Na+K"	61.952376
"1674381"	461.536538	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Na+K"	61.952376
"261995"	1786.257168	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+ACN+Na"	64.015768
"1240171"	925.136468	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+ACN+Na"	64.015768
"1727602"	925.159993	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+NH4+HCOOH"	64.039293
"1192224"	310.029451333333	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+3Na"	68.967654
"1663212"	930.115388	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Na+HCOOH"	68.994688
"170073"	1799.16044	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+2K-H"	76.91904
"599069"	2660.28114	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+2K-H"	76.91904
"1086497"	938.03974	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2K-H"	76.91904
"143678"	900.083858	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"2M+2K"	77.926316
"587246"	1330.644208	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"3M+2K"	77.926316
"1075039"	469.523508	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2K"	77.926316
"1101689"	940.054292	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2K+H"	78.933592
"1341353"	940.141907	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+DMSO+H"	79.021207
"1009882"	944.181076	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2ACN+H"	83.060376
"1525820"	945.174708	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+IsoProp+Na+H"	84.054008
"992267"	472.594176	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+2ACN+2H"	84.067652
"1592238"	946.089328	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+K+HCOOH"	84.968628
"1415710"	976.120838	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+H+CF3COOH"	115.000138
"1154745"	493.107451	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+3ACN+2H"	125.094202
"1706483"	993.147385	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+NH4+CF3COOH"	132.026685
"1641039"	998.10278	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+Na+CF3COOH"	136.98208
"1585441"	1014.07672	"C00845"	"2-Furoyl-CoA"	"C26H38N7O18P3S"	"861.1207"	"M+K+CF3COOH"	152.95602
"804142"	160.0372	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M"	0
"976219"	141.01881	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-H2O-H"	-19.01839
"63318"	105.684190666667	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M-3H"	-3.021828
"509490"	159.029924	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M-3H"	-3.021828
"882551"	52.3384573333333	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-3H"	-3.021828
"432"	159.029924	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M-2H"	-2.014552
"448707"	239.048524	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M-2H"	-2.014552
"830889"	79.011324	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-2H"	-2.014552
"89794"	319.067124	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M-H"	-1.007276
"531176"	479.104324	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M-H"	-1.007276
"906055"	159.029924	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-H"	-1.007276
"54961"	336.093671	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M-2H+NH4"	16.019271
"490511"	496.130871	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M-2H+NH4"	16.019271
"866124"	176.056471	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-2H+NH4"	16.019271
"33657"	341.049066	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M-2H+Na"	20.974666
"476506"	501.086266	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M-2H+Na"	20.974666
"854308"	181.011866	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-2H+Na"	20.974666
"1624934"	181.011866	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Na-2H"	20.974666
"97090"	177.018263	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M-H+Cl"	33.962126
"547586"	257.036863	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M-H+Cl"	33.962126
"930530"	96.999663	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-H+Cl"	33.962126
"277470"	355.043802	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+Cl"	34.969402
"663334"	515.081002	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+Cl"	34.969402
"1279019"	195.006602	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Cl"	34.969402
"23765"	357.023006	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M-2H+K"	36.948606
"462233"	517.060206	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M-2H+K"	36.948606
"838940"	196.985806	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-2H+K"	36.948606
"1561335"	196.985806	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+K-2H"	36.948606
"949218"	205.035394	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-H+HCOOH"	44.998194
"364878"	365.072601	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+HCOOH-H"	44.998201
"345698"	379.088251	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+Hac-H"	59.013851
"1496134"	219.051051	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Hac-H"	59.013851
"967696"	227.017351	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-H+NaCOOH"	66.980151
"120976"	195.006602	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+2Cl"	69.938804
"562724"	275.025202	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+2Cl"	69.938804
"1031523"	114.988002	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2Cl"	69.938804
"1252567"	238.956085	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Br"	78.918885
"1316110"	241.012072	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Cl+HCOOH"	80.974872
"1331783"	262.994029	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Cl+NaCOOH"	102.956829
"923206"	273.022786	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M-H+CF3COOH"	112.985586
"1296631"	308.999464	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Cl+CF3COOH"	148.962264
"1376980"	125.024524	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H-2H2O"	-35.012676
"1387917"	143.0345	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H-H2O"	-17.0027
"288702"	321.081676	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+H"	1.007276
"688415"	481.118876	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+H"	1.007276
"1366758"	161.044476	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H"	1.007276
"140903"	161.044476	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+2H"	2.014552
"579771"	241.063076	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+2H"	2.014552
"1052546"	81.025876	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2H"	2.014552
"218786"	107.698742666667	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+3H"	3.021828
"658951"	161.044476	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+3H"	3.021828
"1177931"	54.3530093333333	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+3H"	3.021828
"438161"	338.108223	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+NH4"	18.033823
"798063"	498.145423	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+NH4"	18.033823
"1692570"	178.071023	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+NH4"	18.033823
"343403"	169.5577495	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+H+NH4"	19.041099
"738135"	249.5763495	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+H+NH4"	19.041099
"1492593"	89.5391495	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H+NH4"	19.041099
"406862"	343.063618	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+Na"	22.989218
"767857"	503.100818	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+Na"	22.989218
"1618145"	183.026418	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Na"	22.989218
"328177"	172.035447	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+H+Na"	23.996494
"720240"	252.054047	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+H+Na"	23.996494
"1467869"	92.016847	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H+Na"	23.996494
"1055648"	61.6803233333333	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2H+Na"	25.00377
"1259876"	193.070686	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+CH3OH+H"	33.033486
"381368"	359.037558	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+K"	38.963158
"742360"	519.074758	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+K"	38.963158
"1544415"	199.000358	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+K"	38.963158
"302684"	180.022417	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+H+K"	39.970434
"698390"	260.041017	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+H+K"	39.970434
"1455489"	100.003817	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H+K"	39.970434
"245187"	362.108226	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+ACN+H"	42.033826
"1221178"	202.071026	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+ACN+H"	42.033826
"1205793"	101.539151	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+ACN+2H"	43.041102
"200120"	365.04556	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+2Na-H"	44.97116
"640774"	525.08276	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+2Na-H"	44.97116
"1143920"	205.00836	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2Na-H"	44.97116
"184291"	183.026418	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+2Na"	45.978436
"622758"	263.045018	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+2Na"	45.978436
"1121523"	103.007818	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2Na"	45.978436
"1404317"	69.0076373333333	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H+2Na"	46.985712
"1441903"	207.049946	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H+HCOOH"	47.012746
"230504"	188.05944	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+3H2O+2H"	56.04448
"1518567"	221.10199	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+IsoProp+H"	61.06479
"418255"	191.013388	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+Na+K"	61.952376
"777063"	271.031988	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+Na+K"	61.952376
"1675584"	110.994788	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Na+K"	61.952376
"261011"	384.090168	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+ACN+Na"	64.015768
"1240281"	224.052968	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+ACN+Na"	64.015768
"1726617"	224.076493	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+NH4+HCOOH"	64.039293
"1193063"	76.3349513333333	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+3Na"	68.967654
"1665025"	229.031888	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Na+HCOOH"	68.994688
"171276"	396.99344	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+2K-H"	76.91904
"602461"	557.03064	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+2K-H"	76.91904
"1088430"	236.95624	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2K-H"	76.91904
"149984"	199.000358	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"2M+2K"	77.926316
"590636"	279.018958	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"3M+2K"	77.926316
"1075149"	118.981758	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2K"	77.926316
"1103987"	238.970792	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2K+H"	78.933592
"1338184"	239.058407	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+DMSO+H"	79.021207
"1009992"	243.097576	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2ACN+H"	83.060376
"1527023"	244.091208	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+IsoProp+Na+H"	84.054008
"991284"	122.052426	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+2ACN+2H"	84.067652
"1592348"	245.005828	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+K+HCOOH"	84.968628
"1419100"	275.037338	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+H+CF3COOH"	115.000138
"1157042"	142.565701	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+3ACN+2H"	125.094202
"1706593"	292.063885	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+NH4+CF3COOH"	132.026685
"1641149"	297.01928	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+Na+CF3COOH"	136.98208
"1585551"	312.99322	"C00846"	"3-Oxoadipate;3-Oxoadipic acid;3-Keto-adipate"	"C6H8O5"	"160.0372"	"M+K+CF3COOH"	152.95602
"803888"	183.0532	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M"	0
"976329"	164.03481	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H2O-H"	-19.01839
"62891"	121.028190666667	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-3H"	-3.021828
"505225"	182.045924	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-3H"	-3.021828
"879944"	60.0104573333333	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-3H"	-3.021828
"22"	182.045924	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H"	-2.014552
"443350"	273.572524	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H"	-2.014552
"830999"	90.519324	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H"	-2.014552
"90634"	365.099124	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-H"	-1.007276
"532744"	548.152324	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-H"	-1.007276
"907258"	182.045924	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H"	-1.007276
"51791"	382.125671	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H+NH4"	16.019271
"488070"	565.178871	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H+NH4"	16.019271
"864776"	199.072471	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H+NH4"	16.019271
"32674"	387.081066	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H+Na"	20.974666
"476616"	570.134266	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H+Na"	20.974666
"854418"	204.027866	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H+Na"	20.974666
"1625044"	204.027866	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na-2H"	20.974666
"98294"	200.034263	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-H+Cl"	33.962126
"548668"	291.560863	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-H+Cl"	33.962126
"931369"	108.507663	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+Cl"	33.962126
"276487"	401.075802	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Cl"	34.969402
"666724"	584.129002	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+Cl"	34.969402
"1278036"	218.022602	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl"	34.969402
"23876"	403.055006	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H+K"	36.948606
"461249"	586.108206	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H+K"	36.948606
"837956"	220.001806	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H+K"	36.948606
"1561809"	220.001806	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K-2H"	36.948606
"950421"	228.051394	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+HCOOH"	44.998194
"364624"	411.104601	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+HCOOH-H"	44.998201
"346025"	425.120251	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Hac-H"	59.013851
"1493198"	242.067051	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Hac-H"	59.013851
"969994"	250.033351	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+NaCOOH"	66.980151
"121086"	218.022602	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2Cl"	69.938804
"562470"	309.549202	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2Cl"	69.938804
"1030540"	126.496002	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2Cl"	69.938804
"1253771"	261.972085	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Br"	78.918885
"1315854"	264.028072	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl+HCOOH"	80.974872
"1332256"	286.010029	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl+NaCOOH"	102.956829
"924408"	296.038786	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+CF3COOH"	112.985586
"1296740"	332.015464	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl+CF3COOH"	148.962264
"1378183"	148.040524	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H-2H2O"	-35.012676
"1390215"	166.0505	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H-H2O"	-17.0027
"298289"	367.113676	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H"	1.007276
"688891"	550.166876	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H"	1.007276
"1366832"	184.060476	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H"	1.007276
"141063"	184.060476	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2H"	2.014552
"581102"	275.587076	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2H"	2.014552
"1052415"	92.533876	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2H"	2.014552
"218043"	123.042742666667	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+3H"	3.021828
"659752"	184.060476	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+3H"	3.021828
"1177436"	62.0250093333333	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+3H"	3.021828
"439005"	384.140223	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+NH4"	18.033823
"801176"	567.193423	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+NH4"	18.033823
"1696328"	201.087023	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+NH4"	18.033823
"345503"	192.5737495	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H+NH4"	19.041099
"737762"	284.1003495	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H+NH4"	19.041099
"1491946"	101.0471495	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+NH4"	19.041099
"408482"	389.095618	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Na"	22.989218
"769677"	572.148818	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+Na"	22.989218
"1618093"	206.042418	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na"	22.989218
"329830"	195.051447	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H+Na"	23.996494
"721687"	286.578047	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H+Na"	23.996494
"1469073"	103.524847	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+Na"	23.996494
"1055756"	69.3523233333333	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2H+Na"	25.00377
"1261809"	216.086686	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+CH3OH+H"	33.033486
"383664"	405.069558	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+K"	38.963158
"744661"	588.122758	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+K"	38.963158
"1545618"	222.016358	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K"	38.963158
"302794"	203.038417	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H+K"	39.970434
"695215"	294.565017	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H+K"	39.970434
"1453413"	111.511817	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+K"	39.970434
"245296"	408.140226	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+ACN+H"	42.033826
"1219101"	225.087026	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+ACN+H"	42.033826
"1204080"	113.047151	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+ACN+2H"	43.041102
"200230"	411.07756	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2Na-H"	44.97116
"640884"	594.13076	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2Na-H"	44.97116
"1142572"	228.02436	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2Na-H"	44.97116
"185494"	206.042418	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2Na"	45.978436
"625057"	297.569018	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2Na"	45.978436
"1123092"	114.515818	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2Na"	45.978436
"1403334"	76.6796373333333	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+2Na"	46.985712
"1442014"	230.065946	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+HCOOH"	47.012746
"230614"	211.07544	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+3H2O+2H"	56.04448
"1521229"	244.11799	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+IsoProp+H"	61.06479
"418364"	214.029388	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Na+K"	61.952376
"779359"	305.555988	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+Na+K"	61.952376
"1674601"	122.502788	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na+K"	61.952376
"262214"	430.122168	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+ACN+Na"	64.015768
"1238204"	247.068968	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+ACN+Na"	64.015768
"1727819"	247.092493	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+NH4+HCOOH"	64.039293
"1193904"	84.0069513333333	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+3Na"	68.967654
"1664526"	252.047888	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na+HCOOH"	68.994688
"171389"	443.02544	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2K-H"	76.91904
"602207"	626.07864	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2K-H"	76.91904
"1086717"	259.97224	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2K-H"	76.91904
"153373"	222.016358	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2K"	77.926316
"592932"	313.542958	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2K"	77.926316
"1078538"	130.489758	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2K"	77.926316
"1104097"	261.986792	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2K+H"	78.933592
"1339387"	262.074407	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+DMSO+H"	79.021207
"1010102"	266.113576	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2ACN+H"	83.060376
"1531507"	267.107208	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+IsoProp+Na+H"	84.054008
"991515"	133.560426	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2ACN+2H"	84.067652
"1591365"	268.021828	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K+HCOOH"	84.968628
"1419210"	298.053338	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+CF3COOH"	115.000138
"1158245"	154.073701	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+3ACN+2H"	125.094202
"1706703"	315.079885	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+NH4+CF3COOH"	132.026685
"1641259"	320.03528	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na+CF3COOH"	136.98208
"1585661"	336.00922	"C00847"	"4-Pyridoxate;4-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K+CF3COOH"	152.95602
"802905"	168.115	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M"	0
"976439"	149.09661	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"63034"	111.069390666667	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"506428"	167.107724	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"880130"	55.0310573333333	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"130"	167.107724	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"443459"	251.165224	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"830988"	83.050224	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"90012"	335.222724	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"532485"	503.337724	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"900808"	167.107724	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"47769"	352.249271	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"488540"	520.364271	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"865372"	184.134271	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"33877"	357.204666	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"476726"	525.319666	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"854528"	189.089666	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1625154"	189.089666	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"98404"	185.096063	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"546713"	269.153563	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"930386"	101.038563	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"274410"	371.199402	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"661731"	539.314402	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1274864"	203.084402	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"21799"	373.178606	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"461359"	541.293606	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"836973"	205.063606	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1559732"	205.063606	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"950531"	213.113194	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"364734"	381.228201	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"345688"	395.243851	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1492808"	227.128851	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"965728"	235.095151	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"119371"	203.084402	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"558571"	287.141902	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1029191"	119.026902	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1252422"	247.033885	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1315600"	249.089872	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1331273"	271.071829	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"923425"	281.100586	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1297943"	317.077264	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1373190"	133.102324	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1390325"	151.1123	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"296212"	337.237276	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"691190"	505.352276	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1366328"	169.122276	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H"	1.007276
"141041"	169.122276	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"580968"	253.179776	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1052692"	85.064776	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"219736"	113.083942666667	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"659659"	169.122276	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1178152"	57.0456093333333	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"438017"	354.263823	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"801209"	522.378823	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1696954"	186.148823	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"345208"	177.6355495	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"738320"	261.6930495	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1492710"	93.5780495	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"406719"	359.219218	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"768808"	527.334218	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1617514"	191.104218	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"329741"	180.113247	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"719733"	264.170747	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1476474"	96.055747	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1064615"	64.3729233333333	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1266294"	201.148486	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"383775"	375.193158	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"749142"	543.308158	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1545729"	207.078158	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+K"	38.963158
"304000"	188.100217	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"695325"	272.157717	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1449146"	104.042717	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"239936"	378.263826	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1213742"	210.148826	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1200907"	105.578051	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"199247"	381.20116	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"640633"	549.31616	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1143047"	213.08616	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"185604"	191.104218	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624802"	275.161718	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1125390"	107.046718	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1405633"	71.7002373333333	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1438842"	215.127746	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"225256"	196.13724	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1514412"	229.17979	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"418474"	199.091188	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"776189"	283.148688	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1675804"	115.033688	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"261229"	400.245768	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1237220"	232.130768	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1722826"	232.154293	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1194170"	79.0275513333333	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1664636"	237.109688	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"171497"	413.14904	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"607056"	581.26404	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1093389"	245.03404	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"153483"	207.078158	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"593042"	291.135658	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1080835"	123.020658	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1106394"	247.048592	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1340591"	247.136207	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1011306"	251.175376	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1530524"	252.169008	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"993690"	126.091326	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1588557"	253.083628	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1417133"	283.115138	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1155075"	146.604601	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1703533"	300.141685	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1637359"	305.09708	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1585771"	321.07102	"C00848"	"6-Oxocineole;(1R4S)-133-Trimethyl-2-oxabicyclo222octan-6-one;2-Oxo-18-cineole"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"803015"	88.0524	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M"	0
"976549"	69.03401	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"63571"	57.694324	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"503418"	87.045124	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"880688"	28.343524	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"1326"	87.045124	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"443569"	131.071324	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"830126"	43.018924	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"88663"	175.097524	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"530771"	263.149924	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"900917"	87.045124	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"50181"	192.124071	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"489863"	280.176471	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"865846"	104.071671	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"34353"	197.079466	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"476836"	285.131866	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"854638"	109.027066	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1625264"	109.027066	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"101794"	105.033463	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"545730"	149.059663	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"930496"	61.007263	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"268081"	211.074202	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"662935"	299.126602	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1274974"	123.021802	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"21909"	213.053406	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"461834"	301.105806	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"838541"	125.001006	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1559842"	125.001006	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"949912"	133.050594	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"365575"	221.103001	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"347635"	235.118651	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1495006"	147.066251	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"966200"	155.032551	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"120210"	123.021802	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"556858"	167.048002	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1028573"	78.995602	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1251439"	166.971285	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1316439"	169.027272	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1332112"	191.009229	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"923171"	201.037986	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1296961"	237.014664	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1375125"	53.039724	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1389342"	71.0497	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"297780"	177.112076	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"690205"	265.164476	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1365830"	89.059676	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"140177"	89.059676	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"580101"	133.085876	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1051822"	45.033476	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"218994"	59.708876	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"659645"	89.059676	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1177776"	30.358076	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"439591"	194.138623	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"800828"	282.191023	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1696386"	106.086223	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"345073"	97.5729495	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"738224"	141.5991495	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1491559"	53.5467495	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"406100"	199.094018	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"767823"	287.146418	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1617748"	111.041618	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"329118"	100.050647	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"720450"	144.076847	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1472574"	56.024447	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1061446"	37.68539	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1263124"	121.085886	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"384979"	215.067958	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"749251"	303.120358	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1542559"	127.015558	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"303017"	108.037617	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"692156"	152.063817	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1446462"	64.011417	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"237495"	218.138626	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1214945"	130.086226	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1201016"	65.546751	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"198264"	221.07596	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"638920"	309.12836	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1143155"	133.02356	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"185714"	111.041618	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"625274"	155.067818	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1125500"	67.015418	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1405743"	45.012704	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1438952"	135.065146	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"225366"	116.07464	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1515616"	149.11719	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"418584"	119.028588	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"776299"	163.054788	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1675911"	75.002388	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"262431"	240.120568	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1235143"	152.068168	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1722936"	152.091693	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1193759"	52.340018	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1664746"	157.047088	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"171243"	253.02384	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"605706"	341.07624	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1086209"	164.97144	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"150313"	127.015558	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"593152"	171.041758	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1078758"	82.989358	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1106501"	166.985992	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1342884"	167.073607	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1009227"	171.112776	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1528442"	172.106408	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"991002"	86.060026	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1592674"	173.021028	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1420520"	203.052538	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1152998"	106.573301	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1703643"	220.079085	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1636011"	225.03448	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1585881"	241.00842	"C00849"	"Ethyl acetate"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"807498"	173.9987	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M"	0
"977752"	154.98031	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H2O-H"	-19.01839
"71459"	114.991857333333	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-3H"	-3.021828
"504216"	172.991424	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-3H"	-3.021828
"880677"	56.9922906666667	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-3H"	-3.021828
"1198"	172.991424	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H"	-2.014552
"444772"	259.990774	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H"	-2.014552
"830236"	85.992074	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H"	-2.014552
"88044"	346.990124	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-H"	-1.007276
"531974"	520.988824	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-H"	-1.007276
"901027"	172.991424	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H"	-1.007276
"48840"	364.016671	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H+NH4"	16.019271
"489493"	538.015371	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H+NH4"	16.019271
"866203"	190.017971	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H+NH4"	16.019271
"34463"	368.972066	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H+Na"	20.974666
"483507"	542.970766	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H+Na"	20.974666
"854748"	194.973366	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H+Na"	20.974666
"1625375"	194.973366	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na-2H"	20.974666
"107374"	190.979763	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-H+Cl"	33.962126
"545840"	277.979113	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-H+Cl"	33.962126
"931701"	103.980413	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+Cl"	33.962126
"268192"	382.966802	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Cl"	34.969402
"667057"	556.965502	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+Cl"	34.969402
"1276177"	208.968102	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl"	34.969402
"22019"	384.946006	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H+K"	36.948606
"463403"	558.944706	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H+K"	36.948606
"841933"	210.947306	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H+K"	36.948606
"1564693"	210.947306	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K-2H"	36.948606
"951847"	218.996894	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+HCOOH"	44.998194
"368240"	392.995601	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+HCOOH-H"	44.998201
"351755"	407.011251	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Hac-H"	59.013851
"1494511"	233.012551	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Hac-H"	59.013851
"965217"	240.978851	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+NaCOOH"	66.980151
"115581"	208.968102	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2Cl"	69.938804
"556603"	295.967452	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2Cl"	69.938804
"1025766"	121.968752	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2Cl"	69.938804
"1252283"	252.917585	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Br"	78.918885
"1316187"	254.973572	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl+HCOOH"	80.974872
"1334413"	276.955529	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl+NaCOOH"	102.956829
"924740"	286.984286	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+CF3COOH"	112.985586
"1298166"	322.960964	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl+CF3COOH"	148.962264
"1381675"	138.986024	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H-2H2O"	-35.012676
"1390546"	156.996	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H-H2O"	-17.0027
"296676"	349.004676	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H"	1.007276
"688125"	523.003376	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H"	1.007276
"1363389"	175.005976	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H"	1.007276
"140412"	175.005976	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2H"	2.014552
"579119"	262.005326	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2H"	2.014552
"1052176"	88.006626	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2H"	2.014552
"218861"	117.006409333333	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+3H"	3.021828
"658661"	175.005976	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+3H"	3.021828
"1177397"	59.0068426666667	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+3H"	3.021828
"437507"	366.031223	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+NH4"	18.033823
"800692"	540.029923	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+NH4"	18.033823
"1696663"	192.032523	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+NH4"	18.033823
"344206"	183.5192495	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H+NH4"	19.041099
"737974"	270.5185995	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H+NH4"	19.041099
"1492033"	96.5198995	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+NH4"	19.041099
"407551"	370.986618	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Na"	22.989218
"769436"	544.985318	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+Na"	22.989218
"1616396"	196.987918	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na"	22.989218
"328744"	185.996947	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H+Na"	23.996494
"721168"	272.996297	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H+Na"	23.996494
"1473777"	98.997597	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+Na"	23.996494
"1062649"	66.3341566666667	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2H+Na"	25.00377
"1263233"	207.032186	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+CH3OH+H"	33.033486
"382901"	386.960558	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+K"	38.963158
"742802"	560.959258	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+K"	38.963158
"1544856"	212.961858	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K"	38.963158
"299848"	193.983917	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H+K"	39.970434
"691941"	280.983267	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H+K"	39.970434
"1446571"	106.984567	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+K"	39.970434
"236997"	390.031226	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+ACN+H"	42.033826
"1215055"	216.032526	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+ACN+H"	42.033826
"1202221"	108.519901	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+ACN+2H"	43.041102
"195094"	392.96856	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2Na-H"	44.97116
"640123"	566.96726	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2Na-H"	44.97116
"1144359"	218.96986	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2Na-H"	44.97116
"182546"	196.987918	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2Na"	45.978436
"626481"	283.987268	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2Na"	45.978436
"1127797"	109.988568	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2Na"	45.978436
"1405853"	73.6614706666667	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+2Na"	46.985712
"1445261"	221.011446	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+HCOOH"	47.012746
"234594"	202.02094	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+3H2O+2H"	56.04448
"1520102"	235.06349	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+IsoProp+H"	61.06479
"420881"	204.974888	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Na+K"	61.952376
"782970"	291.974238	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+Na+K"	61.952376
"1681086"	117.975538	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na+K"	61.952376
"263635"	412.013168	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+ACN+Na"	64.015768
"1239992"	238.014468	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+ACN+Na"	64.015768
"1723417"	238.037993	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+NH4+HCOOH"	64.039293
"1192047"	80.9887846666667	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+3Na"	68.967654
"1660850"	242.993388	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na+HCOOH"	68.994688
"167343"	424.91644	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2K-H"	76.91904
"600350"	598.91514	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2K-H"	76.91904
"1085955"	250.91774	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2K-H"	76.91904
"147143"	212.961858	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2K"	77.926316
"584516"	299.961208	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2K"	77.926316
"1077775"	125.962508	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2K"	77.926316
"1102238"	252.932292	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2K+H"	78.933592
"1340808"	253.019907	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+DMSO+H"	79.021207
"1010431"	257.059076	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2ACN+H"	83.060376
"1526368"	258.052708	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+IsoProp+Na+H"	84.054008
"1000468"	129.033176	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2ACN+2H"	84.067652
"1599348"	258.967328	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K+HCOOH"	84.968628
"1427192"	288.998838	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+CF3COOH"	115.000138
"1156386"	149.546451	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+3ACN+2H"	125.094202
"1704844"	306.025385	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+NH4+CF3COOH"	132.026685
"1636121"	310.98078	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na+CF3COOH"	136.98208
"1585991"	326.95472	"C00850"	"Aryl sulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K+CF3COOH"	152.95602
"806515"	354.0951	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M"	0
"976769"	335.07671	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-H2O-H"	-19.01839
"67196"	235.056124	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M-3H"	-3.021828
"502876"	353.087824	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M-3H"	-3.021828
"879984"	117.024424	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-3H"	-3.021828
"101"	353.087824	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M-2H"	-2.014552
"442696"	530.135374	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M-2H"	-2.014552
"831804"	176.040274	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-2H"	-2.014552
"92162"	707.182924	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M-H"	-1.007276
"528804"	1061.278024	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M-H"	-1.007276
"901137"	353.087824	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-H"	-1.007276
"47978"	724.209471	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M-2H+NH4"	16.019271
"488874"	1078.304571	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M-2H+NH4"	16.019271
"865341"	370.114371	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-2H+NH4"	16.019271
"32754"	729.164866	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M-2H+Na"	20.974666
"483253"	1083.259966	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M-2H+Na"	20.974666
"852671"	375.069766	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-2H+Na"	20.974666
"1625485"	375.069766	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Na-2H"	20.974666
"107482"	371.076163	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M-H+Cl"	33.962126
"539390"	548.123713	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M-H+Cl"	33.962126
"928651"	194.028613	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-H+Cl"	33.962126
"269274"	743.159602	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+Cl"	34.969402
"667167"	1097.254702	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+Cl"	34.969402
"1274464"	389.064502	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Cl"	34.969402
"23222"	745.138806	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M-2H+K"	36.948606
"466064"	1099.233906	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M-2H+K"	36.948606
"843136"	391.043706	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-2H+K"	36.948606
"1563708"	391.043706	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+K-2H"	36.948606
"951957"	399.093294	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-H+HCOOH"	44.998194
"368349"	753.188401	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+HCOOH-H"	44.998201
"352958"	767.204051	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+Hac-H"	59.013851
"1495593"	413.108951	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Hac-H"	59.013851
"964961"	421.075251	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-H+NaCOOH"	66.980151
"117149"	389.064502	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+2Cl"	69.938804
"556713"	566.112052	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+2Cl"	69.938804
"1025876"	212.016952	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2Cl"	69.938804
"1254578"	433.013985	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Br"	78.918885
"1316295"	435.069972	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Cl+HCOOH"	80.974872
"1334521"	457.051929	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Cl+NaCOOH"	102.956829
"922662"	467.080686	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M-H+CF3COOH"	112.985586
"1297183"	503.057364	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Cl+CF3COOH"	148.962264
"1379720"	319.082424	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H-2H2O"	-35.012676
"1390656"	337.0924	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H-H2O"	-17.0027
"298516"	709.197476	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+H"	1.007276
"690421"	1063.292576	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+H"	1.007276
"1364229"	355.102376	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H"	1.007276
"140039"	355.102376	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+2H"	2.014552
"580324"	532.149926	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+2H"	2.014552
"1051679"	178.054826	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2H"	2.014552
"218482"	237.070676	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+3H"	3.021828
"659137"	355.102376	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+3H"	3.021828
"1176901"	119.038976	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+3H"	3.021828
"439567"	726.224023	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+NH4"	18.033823
"801089"	1080.319123	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+NH4"	18.033823
"1696042"	372.128923	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+NH4"	18.033823
"345048"	363.6156495	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+H+NH4"	19.041099
"737102"	540.6631995	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+H+NH4"	19.041099
"1489464"	186.5680995	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H+NH4"	19.041099
"405956"	731.179418	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+Na"	22.989218
"767314"	1085.274518	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+Na"	22.989218
"1618332"	377.084318	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Na"	22.989218
"329095"	366.093347	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+H+Na"	23.996494
"722332"	543.140897	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+H+Na"	23.996494
"1476073"	189.045797	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H+Na"	23.996494
"1064946"	126.36629	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2H+Na"	25.00377
"1263341"	387.128586	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+CH3OH+H"	33.033486
"386290"	747.153358	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+K"	38.963158
"745098"	1101.248458	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+K"	38.963158
"1547153"	393.058258	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+K"	38.963158
"303237"	374.080317	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+H+K"	39.970434
"695656"	551.127867	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+H+K"	39.970434
"1451662"	197.032767	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H+K"	39.970434
"242450"	750.224026	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+ACN+H"	42.033826
"1215165"	396.128926	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+ACN+H"	42.033826
"1199775"	198.568101	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+ACN+2H"	43.041102
"191188"	753.16136	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+2Na-H"	44.97116
"635856"	1107.25646	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+2Na-H"	44.97116
"1136446"	399.06626	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2Na-H"	44.97116
"181560"	377.084318	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+2Na"	45.978436
"617474"	554.131868	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+2Na"	45.978436
"1126814"	200.036768	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2Na"	45.978436
"1405963"	133.693604	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H+2Na"	46.985712
"1444519"	401.107846	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H+HCOOH"	47.012746
"229962"	382.11734	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+3H2O+2H"	56.04448
"1521306"	415.15989	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+IsoProp+H"	61.06479
"420991"	385.071288	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+Na+K"	61.952376
"783080"	562.118838	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+Na+K"	61.952376
"1678319"	208.023738	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Na+K"	61.952376
"263745"	772.205968	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+ACN+Na"	64.015768
"1238642"	418.110868	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+ACN+Na"	64.015768
"1726443"	418.134393	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+NH4+HCOOH"	64.039293
"1192519"	141.020918	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+3Na"	68.967654
"1662782"	423.089788	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Na+HCOOH"	68.994688
"168547"	785.10924	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+2K-H"	76.91904
"601554"	1139.20434	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+2K-H"	76.91904
"1088252"	431.01414	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2K-H"	76.91904
"148347"	393.058258	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"2M+2K"	77.926316
"590093"	570.105808	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"3M+2K"	77.926316
"1079708"	216.010708	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2K"	77.926316
"1106722"	433.028692	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2K+H"	78.933592
"1340918"	433.116307	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+DMSO+H"	79.021207
"1012728"	437.155476	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2ACN+H"	83.060376
"1529758"	438.149108	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+IsoProp+Na+H"	84.054008
"1001672"	219.081376	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+2ACN+2H"	84.067652
"1599458"	439.063728	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+K+HCOOH"	84.968628
"1428395"	469.095238	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+H+CF3COOH"	115.000138
"1156496"	239.594651	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+3ACN+2H"	125.094202
"1704954"	486.121785	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+NH4+CF3COOH"	132.026685
"1636231"	491.07718	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+Na+CF3COOH"	136.98208
"1586101"	507.05112	"C00852"	"Chlorogenate;Chlorogenic acid;Caffeoyl quinic acid;trans-5-O-Caffeoyl-D-quinate"	"C16H18O9"	"354.0951"	"M+K+CF3COOH"	152.95602
"806625"	1329.5722	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M"	0
"976879"	1310.55381	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-H2O-H"	-19.01839
"67306"	885.374190666667	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M-3H"	-3.021828
"502971"	1328.564924	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M-3H"	-3.021828
"880160"	442.183457333333	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-3H"	-3.021828
"317"	1328.564924	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M-2H"	-2.014552
"440117"	1993.351024	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M-2H"	-2.014552
"817148"	663.778824	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-2H"	-2.014552
"80601"	2658.137124	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M-H"	-1.007276
"527821"	3987.709324	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M-H"	-1.007276
"901247"	1328.564924	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-H"	-1.007276
"48082"	2675.163671	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M-2H+NH4"	16.019271
"488616"	4004.735871	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M-2H+NH4"	16.019271
"866423"	1345.591471	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-2H+NH4"	16.019271
"32498"	2680.119066	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M-2H+Na"	20.974666
"480447"	4009.691266	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M-2H+Na"	20.974666
"851688"	1350.546866	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-2H+Na"	20.974666
"1622314"	1350.546866	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Na-2H"	20.974666
"105406"	1346.553263	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M-H+Cl"	33.962126
"539499"	2011.339363	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M-H+Cl"	33.962126
"927829"	681.767163	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-H+Cl"	33.962126
"267273"	2694.113802	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+Cl"	34.969402
"666184"	4023.686002	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+Cl"	34.969402
"1273844"	1364.541602	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Cl"	34.969402
"23332"	2696.093006	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M-2H+K"	36.948606
"463988"	4025.665206	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M-2H+K"	36.948606
"840696"	1366.520806	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-2H+K"	36.948606
"1563091"	1366.520806	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+K-2H"	36.948606
"952067"	1374.570394	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-H+HCOOH"	44.998194
"369188"	2704.142601	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+HCOOH-H"	44.998201
"353068"	2718.158251	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+Hac-H"	59.013851
"1494974"	1388.586051	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Hac-H"	59.013851
"965072"	1396.552351	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-H+NaCOOH"	66.980151
"117259"	1364.541602	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+2Cl"	69.938804
"556823"	2029.327702	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+2Cl"	69.938804
"1024893"	699.755502	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2Cl"	69.938804
"1249584"	1408.491085	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Br"	78.918885
"1314219"	1410.547072	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Cl+HCOOH"	80.974872
"1333538"	1432.529029	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Cl+NaCOOH"	102.956829
"923502"	1442.557786	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M-H+CF3COOH"	112.985586
"1297293"	1478.534464	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Cl+CF3COOH"	148.962264
"1378737"	1294.559524	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H-2H2O"	-35.012676
"1389673"	1312.5695	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H-H2O"	-17.0027
"294829"	2660.151676	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+H"	1.007276
"688345"	3989.723876	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+H"	1.007276
"1366774"	1330.579476	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H"	1.007276
"141339"	1330.579476	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+2H"	2.014552
"581152"	1995.365576	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+2H"	2.014552
"1052559"	665.793376	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2H"	2.014552
"217863"	887.388742666667	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+3H"	3.021828
"658155"	1330.579476	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+3H"	3.021828
"1178105"	444.198009333333	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+3H"	3.021828
"439955"	2677.178223	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+NH4"	18.033823
"801159"	4006.750423	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+NH4"	18.033823
"1696638"	1347.606023	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+NH4"	18.033823
"345404"	1339.0927495	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+H+NH4"	19.041099
"737214"	2003.8788495	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+H+NH4"	19.041099
"1487751"	674.3066495	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H+NH4"	19.041099
"399870"	2682.133618	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+Na"	22.989218
"769934"	4011.705818	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+Na"	22.989218
"1618368"	1352.561418	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Na"	22.989218
"329950"	1341.570447	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+H+Na"	23.996494
"721263"	2006.356547	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+H+Na"	23.996494
"1475820"	676.784347	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H+Na"	23.996494
"1067244"	451.525323333333	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2H+Na"	25.00377
"1266731"	1362.605686	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+CH3OH+H"	33.033486
"386399"	2698.107558	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+K"	38.963158
"741928"	4027.679758	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+K"	38.963158
"1548356"	1368.535358	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+K"	38.963158
"302254"	1349.557417	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+H+K"	39.970434
"694672"	2014.343517	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+H+K"	39.970434
"1450679"	684.771317	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H+K"	39.970434
"241467"	2701.178226	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+ACN+H"	42.033826
"1210651"	1371.606026	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+ACN+H"	42.033826
"1195509"	686.306651	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+ACN+2H"	43.041102
"190933"	2704.11556	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+2Na-H"	44.97116
"634871"	4033.68776	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+2Na-H"	44.97116
"1134730"	1374.54336	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2Na-H"	44.97116
"178384"	1352.561418	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+2Na"	45.978436
"617215"	2017.347518	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+2Na"	45.978436
"1126923"	687.775318	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2Na"	45.978436
"1402789"	458.852637333333	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H+2Na"	46.985712
"1434909"	1376.584946	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H+HCOOH"	47.012746
"228978"	1357.59444	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+3H2O+2H"	56.04448
"1518133"	1390.63699	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+IsoProp+H"	61.06479
"417821"	1360.548388	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+Na+K"	61.952376
"783190"	2025.334488	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+Na+K"	61.952376
"1677335"	695.762288	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Na+K"	61.952376
"260575"	2723.160168	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+ACN+Na"	64.015768
"1236566"	1393.587968	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+ACN+Na"	64.015768
"1727036"	1393.611493	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+NH4+HCOOH"	64.039293
"1189713"	466.179951333333	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+3Na"	68.967654
"1662890"	1398.566888	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Na+HCOOH"	68.994688
"168657"	2736.06344	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+2K-H"	76.91904
"603850"	4065.63564	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+2K-H"	76.91904
"1089456"	1406.49124	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2K-H"	76.91904
"148457"	1368.535358	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"2M+2K"	77.926316
"589110"	2033.321458	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"3M+2K"	77.926316
"1079818"	703.749258	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2K"	77.926316
"1106832"	1408.505792	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2K+H"	78.933592
"1341028"	1408.593407	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+DMSO+H"	79.021207
"1012838"	1412.632576	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2ACN+H"	83.060376
"1529868"	1413.626208	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+IsoProp+Na+H"	84.054008
"1003969"	706.819926	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+2ACN+2H"	84.067652
"1598475"	1414.540828	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+K+HCOOH"	84.968628
"1428141"	1444.572338	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+H+CF3COOH"	115.000138
"1159886"	727.333201	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+3ACN+2H"	125.094202
"1705064"	1461.598885	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+NH4+CF3COOH"	132.026685
"1636341"	1466.55428	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+Na+CF3COOH"	136.98208
"1586211"	1482.52822	"C00853"	"Cob(I)alamin;Cbl;Vitamin B12s"	"C62H89CoN13O14P"	"1329.5722"	"M+K+CF3COOH"	152.95602
"806735"	100.0888	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M"	0
"976989"	81.07041	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-H2O-H"	-19.01839
"69603"	65.7185906666667	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M-3H"	-3.021828
"503407"	99.081524	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M-3H"	-3.021828
"880394"	32.3556573333333	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-3H"	-3.021828
"670"	99.081524	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M-2H"	-2.014552
"440317"	149.125924	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M-2H"	-2.014552
"817793"	49.037124	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-2H"	-2.014552
"82897"	199.170324	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M-H"	-1.007276
"527931"	299.259124	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M-H"	-1.007276
"898077"	99.081524	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-H"	-1.007276
"49167"	216.196871	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M-2H+NH4"	16.019271
"488729"	316.285671	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M-2H+NH4"	16.019271
"865682"	116.108071	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-2H+NH4"	16.019271
"31646"	221.152266	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M-2H+Na"	20.974666
"480557"	321.241066	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M-2H+Na"	20.974666
"851798"	121.063466	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-2H+Na"	20.974666
"1622424"	121.063466	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Na-2H"	20.974666
"106610"	117.069863	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M-H+Cl"	33.962126
"539609"	167.114263	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M-H+Cl"	33.962126
"929844"	67.025463	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-H+Cl"	33.962126
"269495"	235.147002	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+Cl"	34.969402
"664471"	335.235802	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+Cl"	34.969402
"1273954"	135.058202	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Cl"	34.969402
"17974"	237.126206	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M-2H+K"	36.948606
"463733"	337.215006	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M-2H+K"	36.948606
"839710"	137.037406	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-2H+K"	36.948606
"1563199"	137.037406	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+K-2H"	36.948606
"951082"	145.086994	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-H+HCOOH"	44.998194
"369296"	245.175801	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+HCOOH-H"	44.998201
"352085"	259.191451	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+Hac-H"	59.013851
"1494720"	159.102651	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Hac-H"	59.013851
"961903"	167.068951	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-H+NaCOOH"	66.980151
"117370"	135.058202	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+2Cl"	69.938804
"554740"	185.102602	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+2Cl"	69.938804
"1027918"	85.013802	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2Cl"	69.938804
"1249693"	179.007685	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Br"	78.918885
"1313236"	181.063672	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Cl+HCOOH"	80.974872
"1332919"	203.045629	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Cl+NaCOOH"	102.956829
"923612"	213.074386	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M-H+CF3COOH"	112.985586
"1298496"	249.051064	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Cl+CF3COOH"	148.962264
"1381033"	65.076124	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H-2H2O"	-35.012676
"1391970"	83.0861	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H-H2O"	-17.0027
"294939"	201.184876	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+H"	1.007276
"687362"	301.273676	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+H"	1.007276
"1365789"	101.096076	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H"	1.007276
"139532"	101.096076	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+2H"	2.014552
"579092"	151.140476	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+2H"	2.014552
"1051170"	51.051676	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2H"	2.014552
"218338"	67.7331426666667	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+3H"	3.021828
"657901"	101.096076	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+3H"	3.021828
"1177852"	34.3702093333333	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+3H"	3.021828
"439546"	218.211423	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+NH4"	18.033823
"800784"	318.300223	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+NH4"	18.033823
"1696265"	118.122623	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+NH4"	18.033823
"345602"	109.6093495	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+H+NH4"	19.041099
"737325"	159.6537495	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+H+NH4"	19.041099
"1491755"	59.5649495	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H+NH4"	19.041099
"404719"	223.166818	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+Na"	22.989218
"769606"	323.255618	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+Na"	22.989218
"1617946"	123.078018	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Na"	22.989218
"328101"	112.087047	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+H+Na"	23.996494
"721009"	162.131447	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+H+Na"	23.996494
"1475566"	62.042647	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H+Na"	23.996494
"1066260"	41.6975233333333	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2H+Na"	25.00377
"1264655"	133.122286	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+CH3OH+H"	33.033486
"384323"	239.140758	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+K"	38.963158
"742038"	339.229558	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+K"	38.963158
"1549559"	139.051958	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+K"	38.963158
"302364"	120.074017	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+H+K"	39.970434
"691987"	170.118417	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+H+K"	39.970434
"1447509"	70.029617	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H+K"	39.970434
"237204"	242.211426	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+ACN+H"	42.033826
"1210560"	142.122626	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+ACN+H"	42.033826
"1196713"	71.564951	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+ACN+2H"	43.041102
"191043"	245.14876	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+2Na-H"	44.97116
"635346"	345.23756	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+2Na-H"	44.97116
"1136663"	145.05996	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2Na-H"	44.97116
"177765"	123.078018	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+2Na"	45.978436
"618419"	173.122418	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+2Na"	45.978436
"1123753"	73.033618	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2Na"	45.978436
"1402901"	49.0248373333333	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H+2Na"	46.985712
"1435019"	147.101546	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H+HCOOH"	47.012746
"232367"	128.11104	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+3H2O+2H"	56.04448
"1520430"	161.15359	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+IsoProp+H"	61.06479
"421212"	131.064988	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+Na+K"	61.952376
"782207"	181.109388	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+Na+K"	61.952376
"1677445"	81.020588	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Na+K"	61.952376
"261778"	264.193368	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+ACN+Na"	64.015768
"1239836"	164.104568	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+ACN+Na"	64.015768
"1727024"	164.128093	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+NH4+HCOOH"	64.039293
"1189823"	56.3521513333333	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+3Na"	68.967654
"1661906"	169.083488	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Na+HCOOH"	68.994688
"167674"	277.09664	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+2K-H"	76.91904
"600680"	377.18544	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+2K-H"	76.91904
"1090658"	177.00784	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2K-H"	76.91904
"151846"	139.051958	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"2M+2K"	77.926316
"590314"	189.096358	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"3M+2K"	77.926316
"1075917"	89.007558	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2K"	77.926316
"1106942"	179.022392	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2K+H"	78.933592
"1338951"	179.110007	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+DMSO+H"	79.021207
"1015135"	183.149176	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2ACN+H"	83.060376
"1531072"	184.142808	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+IsoProp+Na+H"	84.054008
"1002987"	92.078226	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+2ACN+2H"	84.067652
"1600771"	185.057428	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+K+HCOOH"	84.968628
"1427157"	215.088938	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+H+CF3COOH"	115.000138
"1158539"	112.591501	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+3ACN+2H"	125.094202
"1705174"	232.115485	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+NH4+CF3COOH"	132.026685
"1638638"	237.07088	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+Na+CF3COOH"	136.98208
"1586321"	253.04482	"C00854"	"Cyclohexanol;Hexalin;Hexahydrophenol;Cyclohexan-1-ol"	"C6H12O"	"100.0888"	"M+K+CF3COOH"	152.95602
"806845"	149.051	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M"	0
"978192"	130.03261	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H2O-H"	-19.01839
"66433"	98.3600573333333	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-3H"	-3.021828
"504896"	148.043724	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-3H"	-3.021828
"881724"	48.6763906666667	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-3H"	-3.021828
"1632"	148.043724	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H"	-2.014552
"441929"	222.569224	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H"	-2.014552
"819000"	73.518224	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H"	-2.014552
"80089"	297.094724	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-H"	-1.007276
"529135"	446.145724	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-H"	-1.007276
"898187"	148.043724	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H"	-1.007276
"51463"	314.121271	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+NH4"	16.019271
"493211"	463.172271	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+NH4"	16.019271
"867736"	165.070271	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H+NH4"	16.019271
"34905"	319.076666	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+Na"	20.974666
"482490"	468.127666	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+Na"	20.974666
"848990"	170.025666	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H+Na"	20.974666
"1620347"	170.025666	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na-2H"	20.974666
"102344"	166.032063	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-H+Cl"	33.962126
"546278"	240.557563	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-H+Cl"	33.962126
"935422"	91.506563	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+Cl"	33.962126
"273978"	333.071402	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Cl"	34.969402
"662392"	482.122402	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+Cl"	34.969402
"1274308"	184.020402	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl"	34.969402
"17354"	335.050606	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+K"	36.948606
"464207"	484.101606	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+K"	36.948606
"836541"	185.999606	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H+K"	36.948606
"1562216"	185.999606	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K-2H"	36.948606
"953379"	194.049194	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+HCOOH"	44.998194
"370500"	343.100201	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+HCOOH-H"	44.998201
"353289"	357.115851	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Hac-H"	59.013851
"1497017"	208.064851	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Hac-H"	59.013851
"969302"	216.031151	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+NaCOOH"	66.980151
"118937"	184.020402	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2Cl"	69.938804
"551569"	258.545902	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2Cl"	69.938804
"1031308"	109.494902	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2Cl"	69.938804
"1246522"	227.969885	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Br"	78.918885
"1312252"	230.025872	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+HCOOH"	80.974872
"1328655"	252.007829	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+NaCOOH"	102.956829
"921899"	262.036586	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+CF3COOH"	112.985586
"1299699"	298.013264	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+CF3COOH"	148.962264
"1378957"	114.038324	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H-2H2O"	-35.012676
"1389893"	132.0483	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H-H2O"	-17.0027
"288489"	299.109276	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H"	1.007276
"684191"	448.160276	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H"	1.007276
"1365656"	150.058276	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H"	1.007276
"140003"	150.058276	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2H"	2.014552
"579927"	224.583776	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2H"	2.014552
"1051893"	75.532776	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2H"	2.014552
"219055"	100.374609333333	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+3H"	3.021828
"659595"	150.058276	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+3H"	3.021828
"1177233"	50.6909426666667	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+3H"	3.021828
"438925"	316.135823	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+NH4"	18.033823
"800407"	465.186823	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+NH4"	18.033823
"1695647"	167.084823	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+NH4"	18.033823
"344656"	158.5715495	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H+NH4"	19.041099
"737192"	233.0970495	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H+NH4"	19.041099
"1490528"	84.0460495	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+NH4"	19.041099
"406774"	321.091218	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Na"	22.989218
"769474"	470.142218	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+Na"	22.989218
"1617574"	172.040218	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na"	22.989218
"329187"	161.049247	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H+Na"	23.996494
"720026"	235.574747	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H+Na"	23.996494
"1473855"	86.523747	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+Na"	23.996494
"1064547"	58.0182566666667	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2H+Na"	25.00377
"1262579"	182.084486	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+CH3OH+H"	33.033486
"381153"	337.065158	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+K"	38.963158
"741055"	486.116158	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+K"	38.963158
"1547483"	188.014158	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K"	38.963158
"300652"	169.036217	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H+K"	39.970434
"692704"	243.561717	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H+K"	39.970434
"1445810"	94.510717	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+K"	39.970434
"236057"	340.135826	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+ACN+H"	42.033826
"1210388"	191.084826	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+H"	42.033826
"1194632"	96.046051	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+2H"	43.041102
"193340"	343.07316	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2Na-H"	44.97116
"636185"	492.12416	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2Na-H"	44.97116
"1136409"	194.02216	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2Na-H"	44.97116
"178604"	172.040218	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2Na"	45.978436
"620353"	246.565718	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2Na"	45.978436
"1122770"	97.514718	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2Na"	45.978436
"1403011"	65.3455706666667	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+2Na"	46.985712
"1433670"	196.063746	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+HCOOH"	47.012746
"228104"	177.07324	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+3H2O+2H"	56.04448
"1516167"	210.11579	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+IsoProp+H"	61.06479
"416948"	180.027188	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Na+K"	61.952376
"779037"	254.552688	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+Na+K"	61.952376
"1672089"	105.501688	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na+K"	61.952376
"261888"	362.117768	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+ACN+Na"	64.015768
"1236785"	213.066768	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+Na"	64.015768
"1723123"	213.090293	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+NH4+HCOOH"	64.039293
"1187016"	72.6728846666667	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+3Na"	68.967654
"1659827"	218.045688	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na+HCOOH"	68.994688
"163411"	375.02104	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2K-H"	76.91904
"604070"	524.07204	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2K-H"	76.91904
"1092956"	225.97004	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2K-H"	76.91904
"147583"	188.014158	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2K"	77.926316
"588236"	262.539658	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2K"	77.926316
"1071653"	113.488658	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2K"	77.926316
"1104864"	227.984592	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2K+H"	78.933592
"1344527"	228.072207	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+DMSO+H"	79.021207
"1007591"	232.111376	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2ACN+H"	83.060376
"1527902"	233.105008	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+IsoProp+Na+H"	84.054008
"1003461"	116.559326	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2ACN+2H"	84.067652
"1599787"	234.019628	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K+HCOOH"	84.968628
"1426173"	264.051138	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+CF3COOH"	115.000138
"1158649"	137.072601	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+3ACN+2H"	125.094202
"1705284"	281.077685	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+NH4+CF3COOH"	132.026685
"1642028"	286.03308	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na+CF3COOH"	136.98208
"1586431"	302.00702	"C00855"	"D-Methionine;D-2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K+CF3COOH"	152.95602
"806957"	665.101	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M"	0
"976115"	646.08261	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-H2O-H"	-19.01839
"63991"	442.393390666667	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M-3H"	-3.021828
"504279"	664.093724	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M-3H"	-3.021828
"880620"	220.693057333333	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-3H"	-3.021828
"1386"	664.093724	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M-2H"	-2.014552
"441310"	996.644224	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M-2H"	-2.014552
"827501"	331.543224	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-2H"	-2.014552
"85310"	1329.194724	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M-H"	-1.007276
"523775"	1994.295724	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M-H"	-1.007276
"896594"	664.093724	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-H"	-1.007276
"49392"	1346.221271	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M-2H+NH4"	16.019271
"491141"	2011.322271	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M-2H+NH4"	16.019271
"866024"	681.120271	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-2H+NH4"	16.019271
"36842"	1351.176666	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M-2H+Na"	20.974666
"474337"	2016.277666	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M-2H+Na"	20.974666
"855298"	686.075666	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-2H+Na"	20.974666
"1629206"	686.075666	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Na-2H"	20.974666
"105736"	682.082063	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M-H+Cl"	33.962126
"546388"	1014.632563	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M-H+Cl"	33.962126
"936626"	349.531563	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-H+Cl"	33.962126
"267525"	1365.171402	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+Cl"	34.969402
"661774"	2030.272402	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+Cl"	34.969402
"1273815"	700.070402	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Cl"	34.969402
"18560"	1367.150606	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M-2H+K"	36.948606
"462130"	2032.251606	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M-2H+K"	36.948606
"835192"	702.049606	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-2H+K"	36.948606
"1562325"	702.049606	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+K-2H"	36.948606
"947291"	710.099194	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-H+HCOOH"	44.998194
"367330"	1375.200201	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+HCOOH-H"	44.998201
"351577"	1389.215851	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+Hac-H"	59.013851
"1497494"	724.114851	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Hac-H"	59.013851
"965401"	732.081151	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-H+NaCOOH"	66.980151
"118683"	700.070402	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+2Cl"	69.938804
"562258"	1032.620902	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+2Cl"	69.938804
"1032520"	367.519902	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2Cl"	69.938804
"1249915"	744.019885	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Br"	78.918885
"1317465"	746.075872	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Cl+HCOOH"	80.974872
"1332044"	768.057829	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Cl+NaCOOH"	102.956829
"924196"	778.086586	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M-H+CF3COOH"	112.985586
"1303092"	814.063264	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Cl+CF3COOH"	148.962264
"1381254"	630.088324	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H-2H2O"	-35.012676
"1391101"	648.0983	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H-H2O"	-17.0027
"291880"	1331.209276	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+H"	1.007276
"690754"	1996.310276	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+H"	1.007276
"1366255"	666.108276	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H"	1.007276
"139752"	666.108276	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+2H"	2.014552
"579313"	998.658776	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+2H"	2.014552
"1051398"	333.557776	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2H"	2.014552
"219540"	444.407942666667	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+3H"	3.021828
"658982"	666.108276	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+3H"	3.021828
"1177474"	222.707609333333	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+3H"	3.021828
"439404"	1348.235823	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+NH4"	18.033823
"800885"	2013.336823	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+NH4"	18.033823
"1696604"	683.134823	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+NH4"	18.033823
"345129"	674.6215495	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+H+NH4"	19.041099
"737873"	1007.1720495	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+H+NH4"	19.041099
"1491733"	342.0710495	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H+NH4"	19.041099
"406397"	1353.191218	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+Na"	22.989218
"769341"	2018.292218	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+Na"	22.989218
"1617199"	688.090218	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Na"	22.989218
"329664"	677.099247	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+H+Na"	23.996494
"718315"	1009.649747	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+H+Na"	23.996494
"1476273"	344.548747	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H+Na"	23.996494
"1066968"	230.034923333333	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2H+Na"	25.00377
"1269985"	698.134486	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+CH3OH+H"	33.033486
"391835"	1369.165158	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+K"	38.963158
"748820"	2034.266158	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+K"	38.963158
"1544316"	704.064158	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+K"	38.963158
"300761"	685.086217	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+H+K"	39.970434
"692449"	1017.636717	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+H+K"	39.970434
"1447731"	352.535717	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H+K"	39.970434
"237791"	1372.235826	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+ACN+H"	42.033826
"1216697"	707.134826	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+ACN+H"	42.033826
"1200585"	354.071051	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+ACN+2H"	43.041102
"191998"	1375.17316	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+2Na-H"	44.97116
"633378"	2040.27416	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+2Na-H"	44.97116
"1136522"	710.07216	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2Na-H"	44.97116
"177987"	688.090218	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+2Na"	45.978436
"625935"	1020.640718	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+2Na"	45.978436
"1122880"	355.539718	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2Na"	45.978436
"1402391"	237.362237333333	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H+2Na"	46.985712
"1435239"	712.113746	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H+HCOOH"	47.012746
"224934"	693.12324	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+3H2O+2H"	56.04448
"1512269"	726.16579	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+IsoProp+H"	61.06479
"417059"	696.077188	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+Na+K"	61.952376
"779149"	1028.627688	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+Na+K"	61.952376
"1675479"	363.526688	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Na+K"	61.952376
"265279"	1394.217768	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+ACN+Na"	64.015768
"1239082"	729.116768	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+ACN+Na"	64.015768
"1725781"	729.140293	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+NH4+HCOOH"	64.039293
"1191502"	244.689551333333	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+3Na"	68.967654
"1658849"	734.095688	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Na+HCOOH"	68.994688
"164620"	1407.12104	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+2K-H"	76.91904
"607096"	2072.22204	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+2K-H"	76.91904
"1096345"	742.02004	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2K-H"	76.91904
"152067"	704.064158	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"2M+2K"	77.926316
"589442"	1036.614658	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"3M+2K"	77.926316
"1075046"	371.513658	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2K"	77.926316
"1102057"	744.034592	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2K+H"	78.933592
"1341357"	744.122207	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+DMSO+H"	79.021207
"1012072"	748.161376	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2ACN+H"	83.060376
"1533477"	749.155008	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+IsoProp+Na+H"	84.054008
"997737"	374.584326	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+2ACN+2H"	84.067652
"1596614"	750.069628	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+K+HCOOH"	84.968628
"1421180"	780.101138	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+H+CF3COOH"	115.000138
"1153656"	395.097601	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+3ACN+2H"	125.094202
"1704303"	797.127685	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+NH4+CF3COOH"	132.026685
"1647610"	802.08308	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+Na+CF3COOH"	136.98208
"1586541"	818.05702	"C00857"	"Deamino-NAD;Deamido-NAD;Deamido-NAD"	"C21H27N6O15P2"	"665.101"	"M+K+CF3COOH"	152.95602
"803787"	268.0736	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M"	0
"975132"	249.05521	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-H2O-H"	-19.01839
"64099"	177.708457333333	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M-3H"	-3.021828
"504387"	267.066324	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M-3H"	-3.021828
"881216"	88.3505906666667	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-3H"	-3.021828
"2225"	267.066324	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M-2H"	-2.014552
"440932"	401.103124	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M-2H"	-2.014552
"823237"	133.029524	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-2H"	-2.014552
"85420"	535.139924	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M-H"	-1.007276
"520603"	803.213524	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M-H"	-1.007276
"898401"	267.066324	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-H"	-1.007276
"49859"	552.166471	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M-2H+NH4"	16.019271
"490153"	820.240071	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M-2H+NH4"	16.019271
"865769"	284.092871	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-2H+NH4"	16.019271
"36952"	557.121866	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M-2H+Na"	20.974666
"475419"	825.195466	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M-2H+Na"	20.974666
"852128"	289.048266	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-2H+Na"	20.974666
"1623849"	289.048266	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Na-2H"	20.974666
"97098"	285.054663	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M-H+Cl"	33.962126
"539937"	419.091463	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M-H+Cl"	33.962126
"935642"	151.017863	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-H+Cl"	33.962126
"268365"	571.116602	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+Cl"	34.969402
"661884"	839.190202	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+Cl"	34.969402
"1275384"	303.043002	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Cl"	34.969402
"19763"	573.095806	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M-2H+K"	36.948606
"457864"	841.169406	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M-2H+K"	36.948606
"836395"	305.022206	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-2H+K"	36.948606
"1560977"	305.022206	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+K-2H"	36.948606
"947401"	313.071794	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-H+HCOOH"	44.998194
"366347"	581.145401	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+HCOOH-H"	44.998201
"352051"	595.161051	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+Hac-H"	59.013851
"1495416"	327.087451	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Hac-H"	59.013851
"965511"	335.053751	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-H+NaCOOH"	66.980151
"118793"	303.043002	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+2Cl"	69.938804
"560179"	437.079802	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+2Cl"	69.938804
"1027155"	169.006202	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2Cl"	69.938804
"1246735"	346.992485	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Br"	78.918885
"1317572"	349.048472	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Cl+HCOOH"	80.974872
"1332154"	371.030429	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Cl+NaCOOH"	102.956829
"924307"	381.059186	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M-H+CF3COOH"	112.985586
"1301014"	417.035864	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Cl+CF3COOH"	148.962264
"1378081"	233.060924	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H-2H2O"	-35.012676
"1396313"	251.0709	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H-H2O"	-17.0027
"294175"	537.154476	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+H"	1.007276
"690252"	805.228076	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+H"	1.007276
"1366604"	269.080876	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H"	1.007276
"140589"	269.080876	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+2H"	2.014552
"579426"	403.117676	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+2H"	2.014552
"1052235"	135.044076	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2H"	2.014552
"219161"	179.723009333333	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+3H"	3.021828
"659457"	269.080876	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+3H"	3.021828
"1178192"	90.3651426666667	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+3H"	3.021828
"439838"	554.181023	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+NH4"	18.033823
"801305"	822.254623	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+NH4"	18.033823
"1696946"	286.107423	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+NH4"	18.033823
"345564"	277.5941495	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+H+NH4"	19.041099
"738144"	411.6309495	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+H+NH4"	19.041099
"1491479"	143.5573495	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H+NH4"	19.041099
"407234"	559.136418	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+Na"	22.989218
"769533"	827.210018	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+Na"	22.989218
"1617671"	291.062818	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Na"	22.989218
"328918"	280.071847	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+H+Na"	23.996494
"720612"	414.108647	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+H+Na"	23.996494
"1475170"	146.035047	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H+Na"	23.996494
"1067078"	97.6924566666667	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2H+Na"	25.00377
"1270460"	301.107086	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+CH3OH+H"	33.033486
"390857"	575.110358	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+K"	38.963158
"752941"	843.183958	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+K"	38.963158
"1544426"	307.036758	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+K"	38.963158
"301235"	288.058817	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+H+K"	39.970434
"692558"	422.095617	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+H+K"	39.970434
"1447841"	154.022017	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H+K"	39.970434
"237901"	578.181026	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+ACN+H"	42.033826
"1216807"	310.107426	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+ACN+H"	42.033826
"1200694"	155.557351	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+ACN+2H"	43.041102
"195753"	581.11836	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+2Na-H"	44.97116
"633489"	849.19196	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+2Na-H"	44.97116
"1137725"	313.04476	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2Na-H"	44.97116
"177003"	291.062818	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+2Na"	45.978436
"622764"	425.099618	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+2Na"	45.978436
"1125177"	157.026018	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2Na"	45.978436
"1402137"	105.019770666667	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H+2Na"	46.985712
"1436442"	315.086346	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H+HCOOH"	47.012746
"227230"	296.09584	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+3H2O+2H"	56.04448
"1512379"	329.13839	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+IsoProp+H"	61.06479
"413888"	299.049788	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+Na+K"	61.952376
"781446"	433.086588	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+Na+K"	61.952376
"1673401"	165.012988	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Na+K"	61.952376
"262108"	600.162968	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+ACN+Na"	64.015768
"1239799"	332.089368	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+ACN+Na"	64.015768
"1725891"	332.112893	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+NH4+HCOOH"	64.039293
"1191975"	112.347084666667	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+3Na"	68.967654
"1660052"	337.068288	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Na+HCOOH"	68.994688
"165824"	613.06624	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+2K-H"	76.91904
"607207"	881.13984	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+2K-H"	76.91904
"1094269"	344.99264	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2K-H"	76.91904
"151084"	307.036758	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"2M+2K"	77.926316
"586270"	441.073558	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"3M+2K"	77.926316
"1072969"	172.999958	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2K"	77.926316
"1102167"	347.007192	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2K+H"	78.933592
"1340374"	347.094807	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+DMSO+H"	79.021207
"1009995"	351.133976	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2ACN+H"	83.060376
"1531400"	352.127608	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+IsoProp+Na+H"	84.054008
"997848"	176.070626	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+2ACN+2H"	84.067652
"1596725"	353.042228	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+K+HCOOH"	84.968628
"1422384"	383.073738	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+H+CF3COOH"	115.000138
"1153766"	196.583901	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+3ACN+2H"	125.094202
"1702226"	400.100285	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+NH4+CF3COOH"	132.026685
"1647720"	405.05568	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+Na+CF3COOH"	136.98208
"1586651"	421.02962	"C00858"	"Formononetin"	"C16H12O4"	"268.0736"	"M+K+CF3COOH"	152.95602
"803897"	348.1573	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M"	0
"976699"	329.13891	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"64939"	231.097590666667	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"503076"	347.150024	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"880150"	115.045157333333	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"4"	347.150024	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"440186"	521.228674	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"817387"	173.071374	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"88809"	695.307324	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"522900"	1043.464624	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"897053"	347.150024	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"48877"	712.333871	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"491357"	1060.491171	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"866972"	364.176571	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"38155"	717.289266	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"476622"	1065.446566	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"853331"	369.131966	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1621772"	369.131966	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"100488"	365.138363	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"537131"	539.217013	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"933565"	191.059713	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"268112"	731.284002	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"661265"	1079.441302	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1274156"	383.126702	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"20237"	733.263206	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"456391"	1081.420506	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"835412"	385.105906	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1556340"	385.105906	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"944227"	393.155494	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"366457"	741.312801	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"352161"	755.328451	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1494794"	407.171151	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"961241"	415.137451	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"116716"	383.126702	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"554455"	557.205352	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1025441"	209.048052	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1247937"	427.076185	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1315492"	429.132172	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1333354"	451.114129	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"925873"	461.142886	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1302584"	497.119564	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1378191"	313.144624	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1396788"	331.1546	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"294285"	697.321876	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"691052"	1045.479176	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1366353"	349.164576	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"140984"	349.164576	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"579900"	523.243226	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1052344"	175.085926	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"219977"	233.112142666667	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"659610"	349.164576	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1178441"	117.059709333333	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"439830"	714.348423	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"800982"	1062.505723	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1696459"	366.191123	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"343886"	357.6778495	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"737969"	531.7564995	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1490489"	183.5991995	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"406980"	719.303818	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"767616"	1067.461118	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1616808"	371.146518	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"328302"	360.155547	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"719629"	534.234197	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1476248"	186.076897	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1067916"	124.387023333333	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1271295"	381.190786	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"391330"	735.277758	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"751596"	1083.435058	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1544536"	387.120458	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"303168"	368.142517	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"695225"	542.221167	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1450138"	194.063867	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"239833"	738.348426	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1213637"	390.191126	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1205177"	195.599201	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"195863"	741.28576	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"635422"	1089.44306	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1137835"	393.12846	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"176750"	371.146518	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"622874"	545.225168	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1125287"	197.067868	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1401518"	131.714337333333	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1436552"	395.170046	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"225153"	376.17954	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1512125"	409.22209	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"416185"	379.133488	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"783743"	553.212138	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1674604"	205.054838	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"257844"	760.330368	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1239301"	412.173068	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1723814"	412.196593	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1189169"	139.041651333333	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1660891"	417.151988	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"168121"	773.23364	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"609869"	1121.39094	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1095472"	425.07634	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"146820"	387.120458	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"590754"	561.199108	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1075266"	213.041808	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1100328"	427.090892	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1336470"	427.178507	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1011199"	431.217676	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1531510"	432.211308	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"996863"	216.112476	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1597928"	433.125928	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1421401"	463.157438	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1153876"	236.625751	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1699056"	480.183985	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1645643"	485.13938	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1586761"	501.11332	"C00859"	"Gibberellin A1;Gibberellin 1"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"804007"	141.0902	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M"	0
"975352"	122.07181	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-H2O-H"	-19.01839
"63226"	93.0528573333333	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M-3H"	-3.021828
"502883"	140.082924	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M-3H"	-3.021828
"880014"	46.0227906666667	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-3H"	-3.021828
"62"	140.082924	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M-2H"	-2.014552
"440009"	210.628024	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M-2H"	-2.014552
"817180"	69.537824	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-2H"	-2.014552
"81628"	281.173124	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M-H"	-1.007276
"520455"	422.263324	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M-H"	-1.007276
"896798"	140.082924	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-H"	-1.007276
"48257"	298.199671	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M-2H+NH4"	16.019271
"489281"	439.289871	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M-2H+NH4"	16.019271
"865989"	157.109471	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-2H+NH4"	16.019271
"32918"	303.155066	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M-2H+Na"	20.974666
"475639"	444.245266	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M-2H+Na"	20.974666
"849429"	162.064866	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-2H+Na"	20.974666
"1622976"	162.064866	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Na-2H"	20.974666
"100598"	158.071263	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M-H+Cl"	33.962126
"540157"	228.616363	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M-H+Cl"	33.962126
"930395"	87.526163	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-H+Cl"	33.962126
"267410"	317.149802	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+Cl"	34.969402
"660321"	458.240002	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+Cl"	34.969402
"1274509"	176.059602	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Cl"	34.969402
"19617"	319.129006	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M-2H+K"	36.948606
"455730"	460.219206	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M-2H+K"	36.948606
"835885"	178.038806	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-2H+K"	36.948606
"1556210"	178.038806	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+K-2H"	36.948606
"943362"	186.088394	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-H+HCOOH"	44.998194
"365472"	327.178601	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+HCOOH-H"	44.998201
"351542"	341.194251	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+Hac-H"	59.013851
"1493812"	200.104051	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Hac-H"	59.013851
"959166"	208.070351	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-H+NaCOOH"	66.980151
"116826"	176.059602	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+2Cl"	69.938804
"554565"	246.604702	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+2Cl"	69.938804
"1026279"	105.514502	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2Cl"	69.938804
"1246955"	220.009085	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Br"	78.918885
"1315602"	222.065072	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Cl+HCOOH"	80.974872
"1333464"	244.047029	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Cl+NaCOOH"	102.956829
"926715"	254.075786	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M-H+CF3COOH"	112.985586
"1303786"	290.052464	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Cl+CF3COOH"	148.962264
"1378301"	106.077524	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H-2H2O"	-35.012676
"1397506"	124.0875	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H-H2O"	-17.0027
"294395"	283.187676	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+H"	1.007276
"691081"	424.277876	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+H"	1.007276
"1366748"	142.097476	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H"	1.007276
"141053"	142.097476	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+2H"	2.014552
"579278"	212.642576	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+2H"	2.014552
"1051845"	71.552376	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2H"	2.014552
"219787"	95.0674093333333	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+3H"	3.021828
"659796"	142.097476	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+3H"	3.021828
"1178468"	48.0373426666667	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+3H"	3.021828
"439779"	300.214223	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+NH4"	18.033823
"801316"	441.304423	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+NH4"	18.033823
"1696325"	159.124023	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+NH4"	18.033823
"344603"	150.6107495	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+H+NH4"	19.041099
"737833"	221.1558495	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+H+NH4"	19.041099
"1490235"	80.0656495	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H+NH4"	19.041099
"407089"	305.169618	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+Na"	22.989218
"768088"	446.259818	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+Na"	22.989218
"1616188"	164.079418	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Na"	22.989218
"329139"	153.088447	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+H+Na"	23.996494
"717552"	223.633547	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+H+Na"	23.996494
"1475383"	82.543347	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H+Na"	23.996494
"1068144"	55.3646566666667	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2H+Na"	25.00377
"1271766"	174.123686	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+CH3OH+H"	33.033486
"391802"	321.143558	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+K"	38.963158
"752432"	462.233758	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+K"	38.963158
"1543916"	180.053358	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+K"	38.963158
"306194"	161.075417	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+H+K"	39.970434
"696428"	231.620517	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+H+K"	39.970434
"1449519"	90.530317	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H+K"	39.970434
"239578"	324.214226	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+ACN+H"	42.033826
"1213747"	183.124026	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+ACN+H"	42.033826
"1199820"	92.065651	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+ACN+2H"	43.041102
"194149"	327.15156	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+2Na-H"	44.97116
"635533"	468.24176	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+2Na-H"	44.97116
"1139038"	186.06136	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2Na-H"	44.97116
"176860"	164.079418	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+2Na"	45.978436
"623348"	234.624518	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+2Na"	45.978436
"1125397"	93.534318	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2Na"	45.978436
"1401627"	62.6919706666667	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H+2Na"	46.985712
"1437755"	188.102946	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H+HCOOH"	47.012746
"225263"	169.11244	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+3H2O+2H"	56.04448
"1513328"	202.15499	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+IsoProp+H"	61.06479
"416295"	172.066388	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+Na+K"	61.952376
"783853"	242.611488	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+Na+K"	61.952376
"1672528"	101.521288	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Na+K"	61.952376
"257954"	346.196168	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+ACN+Na"	64.015768
"1239411"	205.105968	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+ACN+Na"	64.015768
"1723924"	205.129493	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+NH4+HCOOH"	64.039293
"1191464"	70.0192846666667	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+3Na"	68.967654
"1660273"	210.084888	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Na+HCOOH"	68.994688
"166044"	359.09944	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+2K-H"	76.91904
"609978"	500.18964	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+2K-H"	76.91904
"1096675"	218.00924	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2K-H"	76.91904
"145837"	180.053358	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"2M+2K"	77.926316
"589771"	250.598458	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"3M+2K"	77.926316
"1074283"	109.508258	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2K"	77.926316
"1100439"	220.023792	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2K+H"	78.933592
"1337434"	220.111407	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+DMSO+H"	79.021207
"1011309"	224.150576	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2ACN+H"	83.060376
"1532712"	225.144208	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+IsoProp+Na+H"	84.054008
"992599"	112.578926	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+2ACN+2H"	84.067652
"1593664"	226.058828	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+K+HCOOH"	84.968628
"1416044"	256.090338	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+H+CF3COOH"	115.000138
"1153986"	133.092201	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+3ACN+2H"	125.094202
"1699166"	273.116885	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+NH4+CF3COOH"	132.026685
"1645753"	278.07228	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+Na+CF3COOH"	136.98208
"1586871"	294.04622	"C00860"	"L-Histidinol"	"C6H11N3O"	"141.0902"	"M+K+CF3COOH"	152.95602
"804117"	164.0685	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M"	0
"975462"	145.05011	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"63049"	108.371724	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"503132"	163.061224	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"880244"	53.682224	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"562"	163.061224	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"440412"	245.095474	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"817241"	81.026974	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"81374"	327.129724	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"519350"	491.198224	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"896173"	163.061224	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"47349"	344.156271	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"487320"	508.224771	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"865845"	180.087771	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"32298"	349.111666	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"474656"	513.180166	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"849093"	185.043166	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1618911"	185.043166	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"97427"	181.049563	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"536986"	263.083813	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"931597"	99.015313	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"267146"	363.106402	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"660180"	527.174902	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1272823"	199.037902	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"20092"	365.085606	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"456489"	529.154106	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"832996"	201.017106	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1556200"	201.017106	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"942982"	209.066694	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"364487"	373.135201	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"348369"	387.150851	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1493558"	223.082351	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"960370"	231.048651	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"113289"	199.037902	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"553215"	281.072152	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1025297"	117.003652	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1244509"	242.987385	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1307689"	245.043372	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1329198"	267.025329	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"921351"	277.054086	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1303654"	313.030764	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1378411"	129.055824	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1394822"	147.0658	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"294505"	329.144276	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"690948"	493.212776	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1366210"	165.075776	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"141225"	165.075776	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"580599"	247.110026	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1052190"	83.041526	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"219692"	110.386276	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"658927"	165.075776	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1178311"	55.696776	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"439471"	346.170823	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"801076"	510.239323	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1694730"	182.102323	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"344834"	173.5890495	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"736524"	255.6232995	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1489615"	91.5547995	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"407077"	351.126218	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"765648"	515.194718	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1614108"	187.057718	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"324144"	176.066747	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"714376"	258.100997	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1475493"	94.032497	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1066192"	63.02409	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1271391"	197.101986	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"390454"	367.100158	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"744886"	531.168658	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1544026"	203.031658	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"303388"	184.053717	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"696538"	266.087967	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1448171"	102.019467	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"239324"	370.170826	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1213857"	206.102326	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1201023"	103.554801	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"193894"	373.10816	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"633455"	537.17666	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1138054"	209.03966	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"173690"	187.057718	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"621271"	269.091968	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1125507"	105.023468	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1401374"	70.351404	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1434949"	211.081246	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"225373"	192.09074	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1513438"	225.13329	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"414218"	195.044688	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"779591"	277.078938	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1672637"	113.010438	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"259157"	392.152768	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1239522"	228.084268	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1721847"	228.107793	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1188294"	77.678718	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1659289"	233.063188	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"166154"	405.05604	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"610089"	569.12454	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1095692"	240.98754	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"148133"	203.031658	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"590974"	285.065908	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1073300"	120.997408	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1100427"	243.002092	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1336570"	243.089707	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1012512"	247.128876	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1526262"	248.122508	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"991737"	124.068076	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1592681"	249.037128	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1416154"	279.068638	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1154096"	144.581351	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1699276"	296.095185	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1645863"	301.05058	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1586981"	317.02452	"C00861"	"L-Rhamnulose;6-Deoxy-L-fructose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"807507"	748.2803	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M"	0
"977759"	729.26191	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-H2O-H"	-19.01839
"64540"	497.846257333333	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M-3H"	-3.021828
"504829"	747.273024	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M-3H"	-3.021828
"881170"	248.419490666667	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-3H"	-3.021828
"1933"	747.273024	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M-2H"	-2.014552
"443680"	1121.413174	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M-2H"	-2.014552
"818931"	373.132874	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-2H"	-2.014552
"80391"	1495.553324	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M-H"	-1.007276
"519580"	2243.833624	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M-H"	-1.007276
"897744"	747.273024	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-H"	-1.007276
"48228"	1512.579871	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M-2H+NH4"	16.019271
"488764"	2260.860171	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M-2H+NH4"	16.019271
"866805"	764.299571	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-2H+NH4"	16.019271
"33259"	1517.535266	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M-2H+Na"	20.974666
"474766"	2265.815566	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M-2H+Na"	20.974666
"849202"	769.254966	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-2H+Na"	20.974666
"1621007"	769.254966	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Na-2H"	20.974666
"98630"	765.261363	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M-H+Cl"	33.962126
"537096"	1139.401513	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M-H+Cl"	33.962126
"929884"	391.121213	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-H+Cl"	33.962126
"267579"	1531.530002	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+Cl"	34.969402
"661956"	2279.810302	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+Cl"	34.969402
"1273136"	783.249702	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Cl"	34.969402
"22388"	1533.509206	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M-2H+K"	36.948606
"457938"	2281.789506	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M-2H+K"	36.948606
"835011"	785.228906	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-2H+K"	36.948606
"1555984"	785.228906	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+K-2H"	36.948606
"943582"	793.278494	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-H+HCOOH"	44.998194
"363867"	1541.558801	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+HCOOH-H"	44.998201
"346166"	1555.574451	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+Hac-H"	59.013851
"1495490"	807.294151	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Hac-H"	59.013851
"961572"	815.260451	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-H+NaCOOH"	66.980151
"111936"	783.249702	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+2Cl"	69.938804
"550647"	1157.389852	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+2Cl"	69.938804
"1022489"	409.109552	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2Cl"	69.938804
"1242068"	827.199185	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Br"	78.918885
"1305975"	829.255172	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Cl+HCOOH"	80.974872
"1320674"	851.237129	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Cl+NaCOOH"	102.956829
"915264"	861.265886	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M-H+CF3COOH"	112.985586
"1303928"	897.242564	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Cl+CF3COOH"	148.962264
"1378521"	713.267624	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H-2H2O"	-35.012676
"1391648"	731.2776	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H-H2O"	-17.0027
"285867"	1497.567876	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+H"	1.007276
"688864"	2245.848176	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+H"	1.007276
"1365578"	749.287576	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H"	1.007276
"140862"	749.287576	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+2H"	2.014552
"579739"	1123.427726	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+2H"	2.014552
"1052422"	375.147426	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2H"	2.014552
"219880"	499.860809333333	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+3H"	3.021828
"659891"	749.287576	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+3H"	3.021828
"1178254"	250.434042666667	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+3H"	3.021828
"437877"	1514.594423	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+NH4"	18.033823
"800698"	2262.874723	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+NH4"	18.033823
"1695203"	766.314123	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+NH4"	18.033823
"345061"	757.8008495	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+H+NH4"	19.041099
"737485"	1131.9409995	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+H+NH4"	19.041099
"1490816"	383.6606995	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H+NH4"	19.041099
"405120"	1519.549818	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+Na"	22.989218
"767941"	2267.830118	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+Na"	22.989218
"1615675"	771.269518	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Na"	22.989218
"322065"	760.278547	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+H+Na"	23.996494
"715577"	1134.418697	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+H+Na"	23.996494
"1471592"	386.138397	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H+Na"	23.996494
"1059370"	257.761356666667	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2H+Na"	25.00377
"1270891"	781.313786	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+CH3OH+H"	33.033486
"389465"	1535.523758	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+K"	38.963158
"746088"	2283.804058	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+K"	38.963158
"1543041"	787.243458	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+K"	38.963158
"300945"	768.265517	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+H+K"	39.970434
"692392"	1142.405667	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+H+K"	39.970434
"1449374"	394.125367	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H+K"	39.970434
"240163"	1538.594426	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+ACN+H"	42.033826
"1212873"	790.314126	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+ACN+H"	42.033826
"1197850"	395.660701	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+ACN+2H"	43.041102
"192178"	1541.53176	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+2Na-H"	44.97116
"629915"	2289.81206	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+2Na-H"	44.97116
"1131757"	793.25146	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2Na-H"	44.97116
"175254"	771.269518	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+2Na"	45.978436
"618830"	1145.409668	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+2Na"	45.978436
"1120148"	397.129368	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2Na"	45.978436
"1402577"	265.088670666667	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H+2Na"	46.985712
"1433600"	795.293046	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H+HCOOH"	47.012746
"222929"	776.30254	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+3H2O+2H"	56.04448
"1513548"	809.34509	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+IsoProp+H"	61.06479
"415421"	779.256488	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+Na+K"	61.952376
"776418"	1153.396638	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+Na+K"	61.952376
"1672746"	405.116338	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Na+K"	61.952376
"254892"	1560.576368	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+ACN+Na"	64.015768
"1235255"	812.296068	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+ACN+Na"	64.015768
"1718676"	812.319593	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+NH4+HCOOH"	64.039293
"1181843"	272.415984666667	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+3Na"	68.967654
"1655024"	817.274988	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Na+HCOOH"	68.994688
"164076"	1573.47964	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+2K-H"	76.91904
"602541"	2321.75994	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+2K-H"	76.91904
"1088147"	825.19934	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2K-H"	76.91904
"144962"	787.243458	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"2M+2K"	77.926316
"583550"	1161.383608	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"3M+2K"	77.926316
"1069635"	413.103308	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2K"	77.926316
"1100658"	827.213892	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2K+H"	78.933592
"1335780"	827.301507	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+DMSO+H"	79.021207
"1007154"	831.340676	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2ACN+H"	83.060376
"1527465"	832.334308	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+IsoProp+Na+H"	84.054008
"993913"	416.173976	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+2ACN+2H"	84.067652
"1592791"	833.248928	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+K+HCOOH"	84.968628
"1421730"	863.280438	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+H+CF3COOH"	115.000138
"1148738"	436.687251	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+3ACN+2H"	125.094202
"1699021"	880.306985	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+NH4+CF3COOH"	132.026685
"1645973"	885.26238	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+Na+CF3COOH"	136.98208
"1580530"	901.23632	"C00862"	"Methanofuran;Carbon dioxide reduction factor"	"C34H44N4O15"	"748.2803"	"M+K+CF3COOH"	152.95602
"808710"	219.1107	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M"	0
"978962"	200.09231	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-H2O-H"	-19.01839
"67203"	145.066524	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M-3H"	-3.021828
"504939"	218.103424	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M-3H"	-3.021828
"884564"	72.029624	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-3H"	-3.021828
"4233"	218.103424	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M-2H"	-2.014552
"443068"	327.658774	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M-2H"	-2.014552
"825979"	108.548074	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-2H"	-2.014552
"87061"	437.214124	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M-H"	-1.007276
"521516"	656.324824	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M-H"	-1.007276
"896763"	218.103424	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-H"	-1.007276
"47615"	454.240671	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M-2H+NH4"	16.019271
"487536"	673.351371	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M-2H+NH4"	16.019271
"867413"	235.129971	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-2H+NH4"	16.019271
"32881"	459.196066	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M-2H+Na"	20.974666
"472563"	678.306766	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M-2H+Na"	20.974666
"848821"	240.085366	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-2H+Na"	20.974666
"1619777"	240.085366	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Na-2H"	20.974666
"97643"	236.091763	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M-H+Cl"	33.962126
"537206"	345.647113	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M-H+Cl"	33.962126
"928170"	126.536413	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-H+Cl"	33.962126
"269645"	473.190802	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+Cl"	34.969402
"667900"	692.301502	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+Cl"	34.969402
"1279213"	254.080102	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Cl"	34.969402
"23228"	475.170006	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M-2H+K"	36.948606
"459505"	694.280706	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M-2H+K"	36.948606
"835847"	256.059306	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-2H+K"	36.948606
"1558972"	256.059306	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+K-2H"	36.948606
"943934"	264.108894	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-H+HCOOH"	44.998194
"362880"	483.219601	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+HCOOH-H"	44.998201
"347859"	497.235251	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+Hac-H"	59.013851
"1496327"	278.124551	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Hac-H"	59.013851
"961317"	286.090851	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-H+NaCOOH"	66.980151
"112051"	254.080102	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+2Cl"	69.938804
"551610"	363.635452	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+2Cl"	69.938804
"1024421"	144.524752	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2Cl"	69.938804
"1243635"	298.029585	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Br"	78.918885
"1309734"	300.085572	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Cl+HCOOH"	80.974872
"1321396"	322.067529	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Cl+NaCOOH"	102.956829
"926319"	332.096286	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M-H+CF3COOH"	112.985586
"1303514"	368.072964	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Cl+CF3COOH"	148.962264
"1375355"	184.098024	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H-2H2O"	-35.012676
"1393947"	202.108	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H-H2O"	-17.0027
"296190"	439.228676	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+H"	1.007276
"684963"	658.339376	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+H"	1.007276
"1364597"	220.117976	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H"	1.007276
"138582"	220.117976	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+2H"	2.014552
"579238"	329.673326	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+2H"	2.014552
"1051682"	110.562626	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2H"	2.014552
"219504"	147.081076	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+3H"	3.021828
"658779"	220.117976	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+3H"	3.021828
"1176904"	74.044176	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+3H"	3.021828
"439695"	456.255223	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+NH4"	18.033823
"801017"	675.365923	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+NH4"	18.033823
"1696047"	237.144523	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+NH4"	18.033823
"345297"	228.6312495	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+H+NH4"	19.041099
"737797"	338.1865995	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+H+NH4"	19.041099
"1491294"	119.0758995	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H+NH4"	19.041099
"406939"	461.210618	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+Na"	22.989218
"768778"	680.321318	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+Na"	22.989218
"1616516"	242.099918	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Na"	22.989218
"327642"	231.108947	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+H+Na"	23.996494
"717882"	340.664297	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+H+Na"	23.996494
"1472796"	121.553597	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H+Na"	23.996494
"1066771"	81.37149	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2H+Na"	25.00377
"1266631"	252.144186	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+CH3OH+H"	33.033486
"384112"	477.184558	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+K"	38.963158
"741097"	696.295258	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+K"	38.963158
"1544973"	258.073858	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+K"	38.963158
"301055"	239.095917	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+H+K"	39.970434
"692623"	348.651267	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+H+K"	39.970434
"1448027"	129.540567	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H+K"	39.970434
"237234"	480.255226	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+ACN+H"	42.033826
"1216261"	261.144526	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+ACN+H"	42.033826
"1196138"	131.075901	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+ACN+2H"	43.041102
"191559"	483.19256	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+2Na-H"	44.97116
"629899"	702.30326	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+2Na-H"	44.97116
"1134627"	264.08186	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2Na-H"	44.97116
"177191"	242.099918	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+2Na"	45.978436
"617847"	351.655268	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+2Na"	45.978436
"1120622"	132.544568	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2Na"	45.978436
"1403415"	88.698804	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H+2Na"	46.985712
"1439180"	266.123446	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H+HCOOH"	47.012746
"226690"	247.13294	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+3H2O+2H"	56.04448
"1512565"	280.17549	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+IsoProp+H"	61.06479
"419546"	250.086888	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+Na+K"	61.952376
"775435"	359.642238	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+Na+K"	61.952376
"1672856"	140.531538	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Na+K"	61.952376
"258282"	502.237168	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+ACN+Na"	64.015768
"1235366"	283.126468	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+ACN+Na"	64.015768
"1718787"	283.149993	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+NH4+HCOOH"	64.039293
"1181959"	96.026118	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+3Na"	68.967654
"1657324"	288.105388	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Na+HCOOH"	68.994688
"164185"	515.14044	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+2K-H"	76.91904
"599371"	734.25114	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+2K-H"	76.91904
"1088257"	296.02974	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2K-H"	76.91904
"146165"	258.073858	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"2M+2K"	77.926316
"584633"	367.629208	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"3M+2K"	77.926316
"1069139"	148.518508	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2K"	77.926316
"1100192"	298.044292	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2K+H"	78.933592
"1335853"	298.131907	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+DMSO+H"	79.021207
"1008357"	302.171076	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2ACN+H"	83.060376
"1526846"	303.164708	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+IsoProp+Na+H"	84.054008
"992929"	151.589176	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+2ACN+2H"	84.067652
"1588159"	304.079328	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+K+HCOOH"	84.968628
"1416373"	334.110838	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+H+CF3COOH"	115.000138
"1147752"	172.102451	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+3ACN+2H"	125.094202
"1697673"	351.137385	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+NH4+CF3COOH"	132.026685
"1636607"	356.09278	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+Na+CF3COOH"	136.98208
"1577362"	372.06672	"C00864"	"Pantothenate;Pantothenic acid;(R)-Pantothenate"	"C9H17NO5"	"219.1107"	"M+K+CF3COOH"	152.95602
"807729"	298.2508	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M"	0
"986730"	279.23241	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-H2O-H"	-19.01839
"73878"	197.826590666667	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M-3H"	-3.021828
"505784"	297.243524	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M-3H"	-3.021828
"885773"	98.4096573333333	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-3H"	-3.021828
"698"	297.243524	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M-2H"	-2.014552
"451572"	446.368924	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M-2H"	-2.014552
"830465"	148.118124	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-2H"	-2.014552
"88268"	595.494324	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M-H"	-1.007276
"523453"	893.745124	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M-H"	-1.007276
"899067"	297.243524	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-H"	-1.007276
"49068"	612.520871	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M-2H+NH4"	16.019271
"487895"	910.771671	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M-2H+NH4"	16.019271
"871899"	314.270071	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-2H+NH4"	16.019271
"35426"	617.476266	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M-2H+Na"	20.974666
"479361"	915.727066	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M-2H+Na"	20.974666
"848975"	319.225466	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-2H+Na"	20.974666
"1625603"	319.225466	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Na-2H"	20.974666
"101037"	315.231863	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M-H+Cl"	33.962126
"537316"	464.357263	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M-H+Cl"	33.962126
"936302"	166.106463	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-H+Cl"	33.962126
"280330"	631.471002	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+Cl"	34.969402
"665827"	929.721802	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+Cl"	34.969402
"1280784"	333.220202	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Cl"	34.969402
"23342"	633.450206	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M-2H+K"	36.948606
"461807"	931.701006	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M-2H+K"	36.948606
"835959"	335.199406	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-2H+K"	36.948606
"1558720"	335.199406	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+K-2H"	36.948606
"944053"	343.248994	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-H+HCOOH"	44.998194
"362631"	641.499801	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+HCOOH-H"	44.998201
"350892"	655.515451	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+Hac-H"	59.013851
"1493889"	357.264651	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Hac-H"	59.013851
"961798"	365.230951	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-H+NaCOOH"	66.980151
"112894"	333.220202	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+2Cl"	69.938804
"554645"	482.345602	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+2Cl"	69.938804
"1024536"	184.094802	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2Cl"	69.938804
"1242655"	377.169685	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Br"	78.918885
"1304374"	379.225672	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Cl+HCOOH"	80.974872
"1321875"	401.207629	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Cl+NaCOOH"	102.956829
"919505"	411.236386	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M-H+CF3COOH"	112.985586
"1291473"	447.213064	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Cl+CF3COOH"	148.962264
"1377655"	263.238124	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H-2H2O"	-35.012676
"1392968"	281.2481	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H-H2O"	-17.0027
"294478"	597.508876	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+H"	1.007276
"690180"	895.759676	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+H"	1.007276
"1366499"	299.258076	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H"	1.007276
"139427"	299.258076	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+2H"	2.014552
"580081"	448.383476	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+2H"	2.014552
"1050698"	150.132676	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2H"	2.014552
"219856"	199.841142666667	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+3H"	3.021828
"658404"	299.258076	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+3H"	3.021828
"1175918"	100.424209333333	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+3H"	3.021828
"438463"	614.535423	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+NH4"	18.033823
"799822"	912.786223	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+NH4"	18.033823
"1696962"	316.284623	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+NH4"	18.033823
"345406"	307.7713495	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+H+NH4"	19.041099
"738395"	456.8967495	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+H+NH4"	19.041099
"1492566"	158.6459495	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H+NH4"	19.041099
"407166"	619.490818	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+Na"	22.989218
"769135"	917.741618	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+Na"	22.989218
"1617717"	321.240018	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Na"	22.989218
"324478"	310.249047	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+H+Na"	23.996494
"721274"	459.374447	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+H+Na"	23.996494
"1474000"	161.123647	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H+Na"	23.996494
"1062875"	107.751523333333	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2H+Na"	25.00377
"1263461"	331.284286	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+CH3OH+H"	33.033486
"383128"	635.464758	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+K"	38.963158
"746311"	933.715558	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+K"	38.963158
"1545083"	337.213958	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+K"	38.963158
"306634"	318.236017	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+H+K"	39.970434
"695774"	467.361417	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+H+K"	39.970434
"1449597"	169.110617	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H+K"	39.970434
"238197"	638.535426	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+ACN+H"	42.033826
"1212118"	340.284626	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+ACN+H"	42.033826
"1199531"	170.645951	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+ACN+2H"	43.041102
"191307"	641.47276	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+2Na-H"	44.97116
"631596"	939.72356	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+2Na-H"	44.97116
"1141665"	343.22196	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2Na-H"	44.97116
"183866"	321.240018	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+2Na"	45.978436
"625249"	470.365418	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+2Na"	45.978436
"1125838"	172.114618	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2Na"	45.978436
"1409361"	115.078837333333	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H+2Na"	46.985712
"1440385"	345.263546	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H+HCOOH"	47.012746
"230087"	326.27304	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+3H2O+2H"	56.04448
"1522157"	359.31559	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+IsoProp+H"	61.06479
"416742"	329.226988	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+Na+K"	61.952376
"782473"	478.352388	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+Na+K"	61.952376
"1676249"	180.101588	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Na+K"	61.952376
"259488"	660.517368	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+ACN+Na"	64.015768
"1236573"	362.266568	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+ACN+Na"	64.015768
"1718904"	362.290093	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+NH4+HCOOH"	64.039293
"1187539"	122.406151333333	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+3Na"	68.967654
"1655248"	367.245488	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Na+HCOOH"	68.994688
"164295"	673.42064	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+2K-H"	76.91904
"602760"	971.67144	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+2K-H"	76.91904
"1091647"	375.16984	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2K-H"	76.91904
"149923"	337.213958	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"2M+2K"	77.926316
"586931"	486.339358	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"3M+2K"	77.926316
"1076912"	188.088558	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2K"	77.926316
"1103558"	377.184392	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2K+H"	78.933592
"1336048"	377.272007	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+DMSO+H"	79.021207
"1005702"	381.311176	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2ACN+H"	83.060376
"1524641"	382.304808	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+IsoProp+Na+H"	84.054008
"989946"	191.159226	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+2ACN+2H"	84.067652
"1587054"	383.219428	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+K+HCOOH"	84.968628
"1414901"	413.250938	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+H+CF3COOH"	115.000138
"1152244"	211.672501	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+3ACN+2H"	125.094202
"1708357"	430.277485	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+NH4+CF3COOH"	132.026685
"1639633"	435.23288	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+Na+CF3COOH"	136.98208
"1577474"	451.20682	"C00869"	"2-Oxooctadecanoic acid;2-Oxostearate"	"C18H34O3"	"298.2508"	"M+K+CF3COOH"	152.95602
"807839"	139.0269	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M"	0
"975538"	120.00851	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H2O-H"	-19.01839
"73988"	91.677324	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-3H"	-3.021828
"504801"	138.019624	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-3H"	-3.021828
"886976"	45.335024	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-3H"	-3.021828
"281"	138.019624	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H"	-2.014552
"454233"	207.533074	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H"	-2.014552
"829482"	68.506174	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H"	-2.014552
"87285"	277.046524	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-H"	-1.007276
"524656"	416.073424	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-H"	-1.007276
"899177"	138.019624	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H"	-1.007276
"49178"	294.073071	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H+NH4"	16.019271
"488007"	433.099971	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H+NH4"	16.019271
"872009"	155.046171	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H+NH4"	16.019271
"38816"	299.028466	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H+Na"	20.974666
"476191"	438.055366	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H+Na"	20.974666
"848720"	160.001566	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H+Na"	20.974666
"1618782"	160.001566	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na-2H"	20.974666
"96771"	156.007963	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-H+Cl"	33.962126
"536697"	225.521413	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-H+Cl"	33.962126
"936412"	86.494513	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+Cl"	33.962126
"281170"	313.023202	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Cl"	34.969402
"667396"	452.050102	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+Cl"	34.969402
"1281987"	173.996302	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl"	34.969402
"22359"	315.002406	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H+K"	36.948606
"463010"	454.029306	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H+K"	36.948606
"836435"	175.975506	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H+K"	36.948606
"1557008"	175.975506	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K-2H"	36.948606
"944528"	184.025094	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+HCOOH"	44.998194
"363468"	323.052001	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+HCOOH-H"	44.998201
"347720"	337.067651	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Hac-H"	59.013851
"1495456"	198.040751	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Hac-H"	59.013851
"960080"	206.007051	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+NaCOOH"	66.980151
"114098"	173.996302	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2Cl"	69.938804
"556941"	243.509752	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2Cl"	69.938804
"1024646"	104.482852	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2Cl"	69.938804
"1245318"	217.945785	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Br"	78.918885
"1304253"	220.001772	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl+HCOOH"	80.974872
"1320526"	241.983729	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl+NaCOOH"	102.956829
"918521"	252.012486	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+CF3COOH"	112.985586
"1289759"	287.989164	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl+CF3COOH"	148.962264
"1372298"	104.014224	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H-2H2O"	-35.012676
"1394900"	122.0242	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H-H2O"	-17.0027
"292765"	279.061076	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H"	1.007276
"688832"	418.087976	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H"	1.007276
"1366523"	140.034176	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H"	1.007276
"139901"	140.034176	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2H"	2.014552
"577637"	209.547626	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2H"	2.014552
"1049715"	70.520726	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2H"	2.014552
"216157"	93.691876	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+3H"	3.021828
"655718"	140.034176	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+3H"	3.021828
"1175301"	47.349576	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+3H"	3.021828
"438817"	296.087623	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+NH4"	18.033823
"798840"	435.114523	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+NH4"	18.033823
"1695534"	157.060723	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+NH4"	18.033823
"345151"	148.5474495	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H+NH4"	19.041099
"737327"	218.0608995	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H+NH4"	19.041099
"1489687"	79.0339995	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+NH4"	19.041099
"406547"	301.043018	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Na"	22.989218
"766449"	440.069918	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+Na"	22.989218
"1617460"	162.016118	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na"	22.989218
"322401"	151.025147	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H+Na"	23.996494
"721020"	220.538597	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H+Na"	23.996494
"1470830"	81.511697	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+Na"	23.996494
"1063350"	54.67689	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2H+Na"	25.00377
"1264664"	172.060386	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+CH3OH+H"	33.033486
"384332"	317.016958	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+K"	38.963158
"746421"	456.043858	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+K"	38.963158
"1545193"	177.990058	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K"	38.963158
"307838"	159.012117	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H+K"	39.970434
"696977"	228.525567	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H+K"	39.970434
"1450800"	89.498667	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+K"	39.970434
"240493"	320.087626	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+ACN+H"	42.033826
"1212110"	181.060726	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+ACN+H"	42.033826
"1200370"	91.034001	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+ACN+2H"	43.041102
"193240"	323.02496	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2Na-H"	44.97116
"631703"	462.05186	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2Na-H"	44.97116
"1141775"	183.99806	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2Na-H"	44.97116
"182884"	162.016118	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2Na"	45.978436
"625724"	231.529568	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2Na"	45.978436
"1127042"	92.502668	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2Na"	45.978436
"1410564"	62.004204	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+2Na"	46.985712
"1440495"	186.039646	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+HCOOH"	47.012746
"230196"	167.04914	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+3H2O+2H"	56.04448
"1522266"	200.09169	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+IsoProp+H"	61.06479
"419037"	170.003088	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Na+K"	61.952376
"782947"	239.516538	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+Na+K"	61.952376
"1676359"	100.489638	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na+K"	61.952376
"260691"	342.069568	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+ACN+Na"	64.015768
"1236683"	203.042668	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+ACN+Na"	64.015768
"1716462"	203.066193	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+NH4+HCOOH"	64.039293
"1187649"	69.331518	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+3Na"	68.967654
"1657542"	208.021588	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na+HCOOH"	68.994688
"165497"	354.97284	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2K-H"	76.91904
"600682"	493.99974	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2K-H"	76.91904
"1090663"	215.94594	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2K-H"	76.91904
"148574"	177.990058	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2K"	77.926316
"587041"	247.503508	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2K"	77.926316
"1073740"	108.476608	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2K"	77.926316
"1103668"	217.960492	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2K+H"	78.933592
"1336281"	218.048107	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+DMSO+H"	79.021207
"1005715"	222.087276	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2ACN+H"	83.060376
"1524218"	223.080908	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+IsoProp+Na+H"	84.054008
"989983"	111.547276	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2ACN+2H"	84.067652
"1588020"	223.995528	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K+HCOOH"	84.968628
"1414484"	254.027038	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+CF3COOH"	115.000138
"1151261"	132.060551	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+3ACN+2H"	125.094202
"1707374"	271.053585	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+NH4+CF3COOH"	132.026685
"1639743"	276.00898	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na+CF3COOH"	136.98208
"1577584"	291.98292	"C00870"	"4-Nitrophenol;p-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K+CF3COOH"	152.95602
"807950"	119.0219	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M"	0
"978202"	100.00351	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-H2O-H"	-19.01839
"70818"	78.3406573333333	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M-3H"	-3.021828
"504911"	118.014624	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M-3H"	-3.021828
"887086"	38.6666906666667	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-3H"	-3.021828
"13324"	118.014624	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M-2H"	-2.014552
"452886"	177.525574	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M-2H"	-2.014552
"829229"	58.503674	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-2H"	-2.014552
"86301"	237.036524	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M-H"	-1.007276
"524766"	356.058424	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M-H"	-1.007276
"902568"	118.014624	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-H"	-1.007276
"50016"	254.063071	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M-2H+NH4"	16.019271
"495410"	373.084971	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M-2H+NH4"	16.019271
"872119"	135.041171	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-2H+NH4"	16.019271
"40021"	259.018466	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M-2H+Na"	20.974666
"473019"	378.040366	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M-2H+Na"	20.974666
"848709"	139.996566	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-2H+Na"	20.974666
"1618894"	139.996566	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Na-2H"	20.974666
"97977"	136.002963	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M-H+Cl"	33.962126
"534499"	195.513913	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M-H+Cl"	33.962126
"936528"	76.492013	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-H+Cl"	33.962126
"275084"	273.013202	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+Cl"	34.969402
"672972"	392.035102	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+Cl"	34.969402
"1281003"	153.991302	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Cl"	34.969402
"22466"	274.992406	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M-2H+K"	36.948606
"467494"	394.014306	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M-2H+K"	36.948606
"843107"	155.970506	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-2H+K"	36.948606
"1556432"	155.970506	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+K-2H"	36.948606
"949012"	164.020094	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-H+HCOOH"	44.998194
"365040"	283.042001	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+HCOOH-H"	44.998201
"347829"	297.057651	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+Hac-H"	59.013851
"1495203"	178.035751	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Hac-H"	59.013851
"963115"	186.002051	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-H+NaCOOH"	66.980151
"114210"	153.991302	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+2Cl"	69.938804
"557053"	213.502252	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+2Cl"	69.938804
"1025851"	94.480352	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2Cl"	69.938804
"1248716"	197.940785	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Br"	78.918885
"1304599"	199.996772	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Cl+HCOOH"	80.974872
"1323200"	221.978729	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Cl+NaCOOH"	102.956829
"917538"	232.007486	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M-H+CF3COOH"	112.985586
"1293152"	267.984164	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Cl+CF3COOH"	148.962264
"1373503"	84.009224	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H-2H2O"	-35.012676
"1393186"	102.0192	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H-H2O"	-17.0027
"297248"	239.051076	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+H"	1.007276
"686388"	358.072976	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+H"	1.007276
"1364928"	120.029176	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H"	1.007276
"139644"	120.029176	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+2H"	2.014552
"579205"	179.540126	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+2H"	2.014552
"1047271"	60.518226	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2H"	2.014552
"215171"	80.3552093333333	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+3H"	3.021828
"656191"	120.029176	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+3H"	3.021828
"1171763"	40.6812426666667	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+3H"	3.021828
"433942"	256.077623	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+NH4"	18.033823
"799312"	375.099523	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+NH4"	18.033823
"1695279"	137.055723	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+NH4"	18.033823
"342462"	128.5424495	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+H+NH4"	19.041099
"734154"	188.0533995	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+H+NH4"	19.041099
"1490527"	69.0314995	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H+NH4"	19.041099
"403372"	261.033018	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+Na"	22.989218
"767649"	380.054918	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+Na"	22.989218
"1610281"	142.011118	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Na"	22.989218
"320320"	131.020147	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+H+Na"	23.996494
"717845"	190.531097	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+H+Na"	23.996494
"1473122"	71.509197	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H+Na"	23.996494
"1059816"	48.0085566666667	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2H+Na"	25.00377
"1259669"	152.055386	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+CH3OH+H"	33.033486
"381162"	277.006958	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+K"	38.963158
"744344"	396.028858	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+K"	38.963158
"1545303"	157.985058	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+K"	38.963158
"306856"	139.007117	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+H+K"	39.970434
"699275"	198.518067	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+H+K"	39.970434
"1453097"	79.496167	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H+K"	39.970434
"237685"	280.077626	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+ACN+H"	42.033826
"1211127"	161.055726	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+ACN+H"	42.033826
"1199386"	81.031501	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+ACN+2H"	43.041102
"191161"	283.01496	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+2Na-H"	44.97116
"635100"	402.03686	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+2Na-H"	44.97116
"1140794"	163.99306	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2Na-H"	44.97116
"184084"	142.011118	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+2Na"	45.978436
"623646"	201.522068	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+2Na"	45.978436
"1126059"	82.500168	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2Na"	45.978436
"1408128"	55.3358706666667	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H+2Na"	46.985712
"1440973"	166.034646	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H+HCOOH"	47.012746
"230307"	147.04414	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+3H2O+2H"	56.04448
"1515087"	180.08669	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+IsoProp+H"	61.06479
"419146"	149.998088	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+Na+K"	61.952376
"781962"	209.509038	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+Na+K"	61.952376
"1673189"	90.487138	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Na+K"	61.952376
"258617"	302.059568	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+ACN+Na"	64.015768
"1229873"	183.037668	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+ACN+Na"	64.015768
"1717667"	183.061193	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+NH4+HCOOH"	64.039293
"1183020"	62.6631846666667	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+3Na"	68.967654
"1653641"	188.016588	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Na+HCOOH"	68.994688
"163419"	314.96284	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+2K-H"	76.91904
"602980"	433.98474	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+2K-H"	76.91904
"1094053"	195.94094	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2K-H"	76.91904
"143579"	157.985058	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"2M+2K"	77.926316
"587151"	217.496008	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"3M+2K"	77.926316
"1071663"	98.474108	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2K"	77.926316
"1107058"	197.955492	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2K+H"	78.933592
"1335740"	198.043107	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+DMSO+H"	79.021207
"1005834"	202.082276	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2ACN+H"	83.060376
"1524366"	203.075908	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+IsoProp+Na+H"	84.054008
"989955"	101.544776	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+2ACN+2H"	84.067652
"1588493"	203.990528	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+K+HCOOH"	84.968628
"1415977"	234.022038	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+H+CF3COOH"	115.000138
"1154652"	122.058051	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+3ACN+2H"	125.094202
"1708577"	251.048585	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+NH4+CF3COOH"	132.026685
"1643138"	256.00398	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+Na+CF3COOH"	136.98208
"1578788"	271.97792	"C00872"	"Aminomalonate;Aminomalonic acid;2-Aminomalonic acid"	"C3H5NO4"	"119.0219"	"M+K+CF3COOH"	152.95602
"811340"	1295.6775	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M"	0
"979405"	1276.65911	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-H2O-H"	-19.01839
"68740"	862.777724	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M-3H"	-3.021828
"506478"	1294.670224	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M-3H"	-3.021828
"886103"	430.885224	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-3H"	-3.021828
"15377"	1294.670224	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M-2H"	-2.014552
"454087"	1942.508974	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M-2H"	-2.014552
"829703"	646.831474	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-2H"	-2.014552
"88597"	2590.347724	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M-H"	-1.007276
"524876"	3886.025224	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M-H"	-1.007276
"902678"	1294.670224	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-H"	-1.007276
"50491"	2607.374271	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M-2H+NH4"	16.019271
"495520"	3903.051771	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M-2H+NH4"	16.019271
"872229"	1311.696771	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-2H+NH4"	16.019271
"39037"	2612.329666	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M-2H+Na"	20.974666
"472278"	3908.007166	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M-2H+Na"	20.974666
"849106"	1316.652166	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-2H+Na"	20.974666
"1619003"	1316.652166	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Na-2H"	20.974666
"97358"	1312.658563	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M-H+Cl"	33.962126
"534644"	1960.497313	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M-H+Cl"	33.962126
"939918"	664.819813	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-H+Cl"	33.962126
"280539"	2626.324402	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+Cl"	34.969402
"674421"	3922.001902	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+Cl"	34.969402
"1287187"	1330.646902	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Cl"	34.969402
"28042"	2628.303606	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M-2H+K"	36.948606
"463229"	3923.981106	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M-2H+K"	36.948606
"843217"	1332.626106	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-2H+K"	36.948606
"1561241"	1332.626106	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+K-2H"	36.948606
"949122"	1340.675694	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-H+HCOOH"	44.998194
"366243"	2636.353201	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+HCOOH-H"	44.998201
"353041"	2650.368851	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+Hac-H"	59.013851
"1497865"	1354.691351	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Hac-H"	59.013851
"962132"	1362.657651	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-H+NaCOOH"	66.980151
"113227"	1330.646902	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+2Cl"	69.938804
"560442"	1978.485652	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+2Cl"	69.938804
"1031428"	682.808152	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2Cl"	69.938804
"1249919"	1374.596385	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Br"	78.918885
"1305803"	1376.652372	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Cl+HCOOH"	80.974872
"1325497"	1398.634329	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Cl+NaCOOH"	102.956829
"918741"	1408.663086	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M-H+CF3COOH"	112.985586
"1295448"	1444.639764	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Cl+CF3COOH"	148.962264
"1371427"	1260.664824	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H-2H2O"	-35.012676
"1393296"	1278.6748	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H-H2O"	-17.0027
"296994"	2592.362276	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+H"	1.007276
"689778"	3888.039776	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+H"	1.007276
"1366129"	1296.684776	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H"	1.007276
"139391"	1296.684776	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+2H"	2.014552
"578220"	1944.523526	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+2H"	2.014552
"1047381"	648.846026	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2H"	2.014552
"214917"	864.792276	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+3H"	3.021828
"657395"	1296.684776	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+3H"	3.021828
"1176735"	432.899776	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+3H"	3.021828
"438187"	2609.388823	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+NH4"	18.033823
"800400"	3905.066323	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+NH4"	18.033823
"1695750"	1313.711323	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+NH4"	18.033823
"344760"	1305.1980495	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+H+NH4"	19.041099
"733171"	1953.0367995	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+H+NH4"	19.041099
"1488085"	657.3592995	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H+NH4"	19.041099
"406400"	2614.344218	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+Na"	22.989218
"765572"	3910.021718	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+Na"	22.989218
"1610391"	1318.666718	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Na"	22.989218
"320429"	1307.675747	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+H+Na"	23.996494
"716131"	1955.514497	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+H+Na"	23.996494
"1475783"	659.836997	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H+Na"	23.996494
"1061019"	440.22709	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2H+Na"	25.00377
"1259779"	1328.710986	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+CH3OH+H"	33.033486
"379448"	2630.318158	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+K"	38.963158
"744454"	3925.995658	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+K"	38.963158
"1546506"	1334.640658	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+K"	38.963158
"305870"	1315.662717	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+H+K"	39.970434
"697198"	1963.501467	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+H+K"	39.970434
"1451019"	667.823967	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H+K"	39.970434
"236335"	2633.388826	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+ACN+H"	42.033826
"1210629"	1337.711326	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+ACN+H"	42.033826
"1196215"	669.359301	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+ACN+2H"	43.041102
"191997"	2636.32616	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+2Na-H"	44.97116
"631930"	3932.00366	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+2Na-H"	44.97116
"1133247"	1340.64866	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2Na-H"	44.97116
"183101"	1318.666718	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+2Na"	45.978436
"621567"	1966.505468	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+2Na"	45.978436
"1125074"	670.827968	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2Na"	45.978436
"1409695"	447.554404	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H+2Na"	46.985712
"1440719"	1342.690246	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H+HCOOH"	47.012746
"230417"	1323.69974	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+3H2O+2H"	56.04448
"1519571"	1356.74229	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+IsoProp+H"	61.06479
"418894"	1326.653688	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+Na+K"	61.952376
"782073"	1974.492438	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+Na+K"	61.952376
"1676579"	678.814938	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Na+K"	61.952376
"263100"	2655.370768	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+ACN+Na"	64.015768
"1229984"	1359.693268	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+ACN+Na"	64.015768
"1714495"	1359.716793	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+NH4+HCOOH"	64.039293
"1180576"	454.881718	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+3Na"	68.967654
"1654480"	1364.672188	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Na+HCOOH"	68.994688
"162436"	2668.27404	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+2K-H"	76.91904
"604183"	3963.95154	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+2K-H"	76.91904
"1090883"	1372.59654	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2K-H"	76.91904
"145148"	1334.640658	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"2M+2K"	77.926316
"590542"	1982.479408	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"3M+2K"	77.926316
"1071773"	686.801908	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2K"	77.926316
"1103888"	1374.611092	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2K+H"	78.933592
"1336137"	1374.698707	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+DMSO+H"	79.021207
"1005663"	1378.737876	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2ACN+H"	83.060376
"1524608"	1379.731508	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+IsoProp+Na+H"	84.054008
"990331"	689.872576	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+2ACN+2H"	84.067652
"1589333"	1380.646128	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+K+HCOOH"	84.968628
"1416450"	1410.677638	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+H+CF3COOH"	115.000138
"1154762"	710.385851	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+3ACN+2H"	125.094202
"1705407"	1427.704185	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+NH4+CF3COOH"	132.026685
"1646164"	1432.65958	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+Na+CF3COOH"	136.98208
"1577805"	1448.63352	"C00873"	"Angiotensin I"	"C62H89N17O14"	"1295.6775"	"M+K+CF3COOH"	152.95602
"808171"	773.1793	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M"	0
"981704"	754.16091	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-H2O-H"	-19.01839
"71039"	514.445590666667	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M-3H"	-3.021828
"512787"	772.172024	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M-3H"	-3.021828
"888407"	256.719157333333	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-3H"	-3.021828
"12451"	772.172024	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M-2H"	-2.014552
"453104"	1158.761674	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M-2H"	-2.014552
"828719"	385.582374	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-2H"	-2.014552
"84336"	1545.351324	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M-H"	-1.007276
"531430"	2318.530624	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M-H"	-1.007276
"903884"	772.172024	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-H"	-1.007276
"54980"	1562.377871	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M-2H+NH4"	16.019271
"497821"	2335.557171	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M-2H+NH4"	16.019271
"878663"	789.198571	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-2H+NH4"	16.019271
"38055"	1567.333266	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M-2H+Na"	20.974666
"477614"	2340.512566	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M-2H+Na"	20.974666
"848849"	794.153966	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-2H+Na"	20.974666
"1628232"	794.153966	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Na-2H"	20.974666
"101481"	790.160363	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M-H+Cl"	33.962126
"547608"	1176.750013	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M-H+Cl"	33.962126
"941852"	403.570713	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-H+Cl"	33.962126
"278585"	1581.328002	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+Cl"	34.969402
"672099"	2354.507302	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+Cl"	34.969402
"1282315"	808.148702	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Cl"	34.969402
"29244"	1583.307206	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M-2H+K"	36.948606
"460058"	2356.486506	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M-2H+K"	36.948606
"834946"	810.127906	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-2H+K"	36.948606
"1559525"	810.127906	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+K-2H"	36.948606
"950324"	818.177494	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-H+HCOOH"	44.998194
"368541"	1591.356801	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+HCOOH-H"	44.998201
"353517"	1605.372451	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+Hac-H"	59.013851
"1495066"	832.193151	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Hac-H"	59.013851
"960177"	840.159451	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-H+NaCOOH"	66.980151
"113337"	808.148702	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+2Cl"	69.938804
"559457"	1194.738352	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+2Cl"	69.938804
"1036775"	421.559052	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2Cl"	69.938804
"1250030"	852.098185	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Br"	78.918885
"1315765"	854.154172	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Cl+HCOOH"	80.974872
"1326700"	876.136129	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Cl+NaCOOH"	102.956829
"916664"	886.164886	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M-H+CF3COOH"	112.985586
"1292282"	922.141564	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Cl+CF3COOH"	148.962264
"1373724"	738.166624	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H-2H2O"	-35.012676
"1392315"	756.1766	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H-H2O"	-17.0027
"295647"	1547.365876	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+H"	1.007276
"690261"	2320.545176	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+H"	1.007276
"1366240"	774.186576	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H"	1.007276
"139867"	774.186576	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+2H"	2.014552
"575411"	1160.776226	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+2H"	2.014552
"1050042"	387.596926	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2H"	2.014552
"209924"	516.460142666667	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+3H"	3.021828
"651671"	774.186576	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+3H"	3.021828
"1176355"	258.733709333333	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+3H"	3.021828
"434161"	1564.392423	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+NH4"	18.033823
"800867"	2337.571723	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+NH4"	18.033823
"1693673"	791.213123	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+NH4"	18.033823
"339766"	782.6998495	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+H+NH4"	19.041099
"731093"	1169.2894995	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+H+NH4"	19.041099
"1484912"	396.1101995	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H+NH4"	19.041099
"398128"	1569.347818	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+Na"	22.989218
"756937"	2342.527118	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+Na"	22.989218
"1611599"	796.168518	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Na"	22.989218
"327102"	785.177547	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+H+Na"	23.996494
"715148"	1171.767197	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+H+Na"	23.996494
"1470070"	398.587897	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H+Na"	23.996494
"1062221"	266.061023333333	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2H+Na"	25.00377
"1259889"	806.212786	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+CH3OH+H"	33.033486
"382476"	1585.321758	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+K"	38.963158
"746752"	2358.501058	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+K"	38.963158
"1546617"	812.142458	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+K"	38.963158
"308169"	793.164517	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+H+K"	39.970434
"697308"	1179.754167	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+H+K"	39.970434
"1450034"	406.574867	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H+K"	39.970434
"236818"	1588.392426	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+ACN+H"	42.033826
"1212808"	815.213126	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+ACN+H"	42.033826
"1198514"	408.110201	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+ACN+2H"	43.041102
"191385"	1591.32976	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+2Na-H"	44.97116
"636416"	2364.50906	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+2Na-H"	44.97116
"1137736"	818.15046	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2Na-H"	44.97116
"181026"	796.168518	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+2Na"	45.978436
"618400"	1182.758168	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+2Na"	45.978436
"1125189"	409.578868	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2Na"	45.978436
"1409807"	273.388337333333	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H+2Na"	46.985712
"1441923"	820.192046	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H+HCOOH"	47.012746
"227247"	801.20154	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+3H2O+2H"	56.04448
"1514214"	834.24409	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+IsoProp+H"	61.06479
"419367"	804.155488	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+Na+K"	61.952376
"781454"	1190.745138	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+Na+K"	61.952376
"1673413"	417.565838	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Na+K"	61.952376
"254468"	1610.374368	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+ACN+Na"	64.015768
"1227176"	837.195068	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+ACN+Na"	64.015768
"1714601"	837.218593	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+NH4+HCOOH"	64.039293
"1183606"	280.715651333333	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+3Na"	68.967654
"1652406"	842.173988	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Na+HCOOH"	68.994688
"159267"	1623.27764	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+2K-H"	76.91904
"602108"	2396.45694	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+2K-H"	76.91904
"1087713"	850.09834	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2K-H"	76.91904
"143434"	812.142458	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"2M+2K"	77.926316
"582144"	1198.732108	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"3M+2K"	77.926316
"1068963"	425.552808	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2K"	77.926316
"1101930"	852.112892	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2K+H"	78.933592
"1335698"	852.200507	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+DMSO+H"	79.021207
"1005670"	856.239676	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2ACN+H"	83.060376
"1524223"	857.233308	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+IsoProp+Na+H"	84.054008
"990059"	428.623476	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+2ACN+2H"	84.067652
"1588353"	858.147928	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+K+HCOOH"	84.968628
"1427867"	888.179438	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+H+CF3COOH"	115.000138
"1158154"	449.136751	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+3ACN+2H"	125.094202
"1705522"	905.205985	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+NH4+CF3COOH"	132.026685
"1643359"	910.16138	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+Na+CF3COOH"	136.98208
"1577916"	926.13532	"C00876"	"Coenzyme F420;Oxidized coenzyme F420"	"C29H36N5O18P"	"773.1793"	"M+K+CF3COOH"	152.95602
"808281"	835.1414	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M"	0
"981814"	816.12301	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H2O-H"	-19.01839
"71149"	555.753657333333	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-3H"	-3.021828
"513990"	834.134124	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-3H"	-3.021828
"886330"	277.373190666667	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-3H"	-3.021828
"14385"	834.134124	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H"	-2.014552
"449933"	1251.704824	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H"	-2.014552
"824454"	416.563424	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H"	-2.014552
"86632"	1669.275524	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H"	-1.007276
"530567"	2504.416924	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H"	-1.007276
"901807"	834.134124	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H"	-1.007276
"56183"	1686.302071	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+NH4"	16.019271
"496837"	2521.443471	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+NH4"	16.019271
"878409"	851.160671	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+NH4"	16.019271
"37071"	1691.257466	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+Na"	20.974666
"473106"	2526.398866	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+Na"	20.974666
"849445"	856.116066	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+Na"	20.974666
"1628342"	856.116066	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na-2H"	20.974666
"98311"	852.122463	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H+Cl"	33.962126
"549299"	1269.693163	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H+Cl"	33.962126
"942750"	434.551763	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+Cl"	33.962126
"279788"	1705.252202	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Cl"	34.969402
"672209"	2540.393602	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Cl"	34.969402
"1282425"	870.110802	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl"	34.969402
"27167"	1707.231406	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+K"	36.948606
"467820"	2542.372806	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+K"	36.948606
"840155"	872.090006	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+K"	36.948606
"1562549"	872.090006	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K-2H"	36.948606
"947152"	880.139594	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+HCOOH"	44.998194
"365366"	1715.281001	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+HCOOH-H"	44.998201
"354720"	1729.296651	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Hac-H"	59.013851
"1494810"	894.155251	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Hac-H"	59.013851
"963444"	902.121551	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+NaCOOH"	66.980151
"110530"	870.110802	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Cl"	69.938804
"559567"	1287.681502	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Cl"	69.938804
"1029468"	452.540102	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Cl"	69.938804
"1246857"	914.060285	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Br"	78.918885
"1314781"	916.116272	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+HCOOH"	80.974872
"1327903"	938.098229	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+NaCOOH"	102.956829
"920054"	948.126986	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+CF3COOH"	112.985586
"1300412"	984.103664	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+CF3COOH"	148.962264
"1378208"	800.128724	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-2H2O"	-35.012676
"1397651"	818.1387	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-H2O"	-17.0027
"297459"	1671.290076	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H"	1.007276
"687817"	2506.431476	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H"	1.007276
"1356512"	836.148676	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H"	1.007276
"138147"	836.148676	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2H"	2.014552
"573334"	1253.719376	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2H"	2.014552
"1050520"	418.577976	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H"	2.014552
"215503"	557.768209333333	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H"	3.021828
"657979"	836.148676	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+3H"	3.021828
"1175373"	279.387742666667	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3H"	3.021828
"438646"	1688.316623	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+NH4"	18.033823
"800738"	2523.458023	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+NH4"	18.033823
"1691596"	853.175223	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4"	18.033823
"342063"	844.6619495	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+NH4"	19.041099
"734482"	1262.2326495	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+NH4"	19.041099
"1485020"	427.0912495	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+NH4"	19.041099
"404435"	1693.272018	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na"	22.989218
"762514"	2528.413418	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na"	22.989218
"1614989"	858.130618	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na"	22.989218
"326848"	847.139647	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+Na"	23.996494
"719632"	1264.710347	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+Na"	23.996494
"1470180"	429.568947	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+Na"	23.996494
"1062331"	286.715056666667	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H+Na"	25.00377
"1260363"	868.174886	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+CH3OH+H"	33.033486
"384773"	1709.245958	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+K"	38.963158
"747956"	2544.387358	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+K"	38.963158
"1546727"	874.104558	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K"	38.963158
"306094"	855.126617	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+K"	39.970434
"696325"	1272.697317	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+K"	39.970434
"1450508"	437.555917	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+K"	39.970434
"237657"	1712.316626	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+H"	42.033826
"1215835"	877.175226	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+H"	42.033826
"1198624"	439.091251	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+2H"	43.041102
"192588"	1715.25396	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na-H"	44.97116
"639806"	2550.39536	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na-H"	44.97116
"1141126"	880.11256	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na-H"	44.97116
"184415"	858.130618	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na"	45.978436
"622883"	1275.701318	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na"	45.978436
"1124208"	440.559918	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na"	45.978436
"1409918"	294.042370666667	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+2Na"	46.985712
"1443734"	882.154146	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+HCOOH"	47.012746
"225169"	863.16364	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H2O+2H"	56.04448
"1514324"	896.20619	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+H"	61.06479
"421664"	866.117588	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na+K"	61.952376
"784116"	1283.688288	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na+K"	61.952376
"1675711"	448.546888	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+K"	61.952376
"255672"	1734.298568	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+Na"	64.015768
"1229475"	899.157168	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+Na"	64.015768
"1717267"	899.180693	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+HCOOH"	64.039293
"1184809"	301.369684666667	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3Na"	68.967654
"1654701"	904.136088	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+HCOOH"	68.994688
"162658"	1747.20184	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K-H"	76.91904
"600031"	2582.34324	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K-H"	76.91904
"1091102"	912.06044	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K-H"	76.91904
"143545"	874.104558	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K"	77.926316
"583105"	1291.675258	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K"	77.926316
"1069073"	456.533858	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K"	77.926316
"1101919"	914.074992	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K+H"	78.933592
"1335782"	914.162607	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+DMSO+H"	79.021207
"1005962"	918.201776	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+H"	83.060376
"1524460"	919.195408	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+Na+H"	84.054008
"990550"	459.604526	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+2H"	84.067652
"1589193"	920.110028	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+HCOOH"	84.968628
"1429070"	950.141538	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+CF3COOH"	115.000138
"1158264"	480.117801	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3ACN+2H"	125.094202
"1705632"	967.168085	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+CF3COOH"	132.026685
"1643469"	972.12348	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+CF3COOH"	136.98208
"1578026"	988.09742	"C00877"	"Crotonoyl-CoA;Crotonyl-CoA;2-Butenoyl-CoA;trans-But-2-enoyl-CoA;But-2-enoyl-CoA;(E)-But-2-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+CF3COOH"	152.95602
"808391"	166.0477	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M"	0
"981924"	147.02931	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-H2O-H"	-19.01839
"70166"	109.691190666667	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M-3H"	-3.021828
"515194"	165.040424	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M-3H"	-3.021828
"889720"	54.3419573333333	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-3H"	-3.021828
"11579"	165.040424	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M-2H"	-2.014552
"451136"	248.064274	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M-2H"	-2.014552
"826749"	82.016574	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-2H"	-2.014552
"87836"	331.088124	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M-H"	-1.007276
"532501"	497.135824	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M-H"	-1.007276
"903011"	165.040424	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-H"	-1.007276
"57387"	348.114671	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M-2H+NH4"	16.019271
"499134"	514.162371	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M-2H+NH4"	16.019271
"876938"	182.066971	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-2H+NH4"	16.019271
"36088"	353.070066	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M-2H+Na"	20.974666
"472852"	519.117766	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M-2H+Na"	20.974666
"849439"	187.022366	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-2H+Na"	20.974666
"1628452"	187.022366	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Na-2H"	20.974666
"98785"	183.028763	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M-H+Cl"	33.962126
"546735"	266.052613	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M-H+Cl"	33.962126
"932958"	100.004913	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-H+Cl"	33.962126
"275525"	367.064802	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+Cl"	34.969402
"665759"	533.112502	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+Cl"	34.969402
"1282535"	201.017102	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Cl"	34.969402
"21810"	369.044006	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M-2H+K"	36.948606
"460276"	535.091706	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M-2H+K"	36.948606
"838078"	202.996306	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-2H+K"	36.948606
"1558285"	202.996306	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+K-2H"	36.948606
"945077"	211.045894	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-H+HCOOH"	44.998194
"363652"	377.093601	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+HCOOH-H"	44.998201
"349363"	391.109251	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+Hac-H"	59.013851
"1500387"	225.061551	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Hac-H"	59.013851
"963554"	233.027851	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-H+NaCOOH"	66.980151
"113557"	201.017102	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+2Cl"	69.938804
"560770"	284.040952	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+2Cl"	69.938804
"1029578"	117.993252	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2Cl"	69.938804
"1246967"	244.966585	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Br"	78.918885
"1319261"	247.022572	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Cl+HCOOH"	80.974872
"1325827"	269.004529	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Cl+NaCOOH"	102.956829
"914697"	279.033286	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M-H+CF3COOH"	112.985586
"1297970"	315.009964	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Cl+CF3COOH"	148.962264
"1378318"	131.035024	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H-2H2O"	-35.012676
"1394720"	149.045	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H-H2O"	-17.0027
"296596"	333.102676	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+H"	1.007276
"684646"	499.150376	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+H"	1.007276
"1355529"	167.054976	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H"	1.007276
"136800"	167.054976	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+2H"	2.014552
"572351"	250.078826	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+2H"	2.014552
"1049897"	84.031126	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2H"	2.014552
"215610"	111.705742666667	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+3H"	3.021828
"659182"	167.054976	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+3H"	3.021828
"1173296"	56.3565093333333	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+3H"	3.021828
"436568"	350.129223	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+NH4"	18.033823
"794282"	516.176923	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+NH4"	18.033823
"1696081"	184.081523	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+NH4"	18.033823
"343632"	175.5682495	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+H+NH4"	19.041099
"732406"	258.5920995	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+H+NH4"	19.041099
"1482944"	92.5443995	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H+NH4"	19.041099
"404909"	355.084618	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+Na"	22.989218
"759344"	521.132318	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+Na"	22.989218
"1614735"	189.036918	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Na"	22.989218
"327322"	178.045947	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+H+Na"	23.996494
"719742"	261.069797	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+H+Na"	23.996494
"1463363"	95.022097	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H+Na"	23.996494
"1053934"	63.6838233333333	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2H+Na"	25.00377
"1257429"	199.081186	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+CH3OH+H"	33.033486
"377705"	371.058558	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+K"	38.963158
"739189"	537.106258	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+K"	38.963158
"1545744"	205.010858	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+K"	38.963158
"308390"	186.032917	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+H+K"	39.970434
"694977"	269.056767	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+H+K"	39.970434
"1448795"	103.009067	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H+K"	39.970434
"238859"	374.129226	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+H"	42.033826
"1219224"	208.081526	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+ACN+H"	42.033826
"1200920"	104.544401	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+ACN+2H"	43.041102
"192698"	377.06656	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+2Na-H"	44.97116
"637729"	543.11426	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+2Na-H"	44.97116
"1135762"	211.01886	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2Na-H"	44.97116
"177961"	189.036918	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+2Na"	45.978436
"617157"	272.060768	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+2Na"	45.978436
"1126504"	106.013068	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2Na"	45.978436
"1410027"	71.0111373333333	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H+2Na"	46.985712
"1442871"	213.060446	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H+HCOOH"	47.012746
"226373"	194.06994	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+3H2O+2H"	56.04448
"1514434"	227.11249	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+H"	61.06479
"420680"	197.023888	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+Na+K"	61.952376
"784226"	280.047738	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+Na+K"	61.952376
"1674728"	114.000038	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Na+K"	61.952376
"255782"	396.111168	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+Na"	64.015768
"1231772"	230.063468	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+ACN+Na"	64.015768
"1717377"	230.086993	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+NH4+HCOOH"	64.039293
"1184919"	78.3384513333333	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+3Na"	68.967654
"1653718"	235.042388	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Na+HCOOH"	68.994688
"162038"	409.01444	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+2K-H"	76.91904
"602327"	575.06214	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+2K-H"	76.91904
"1087931"	242.96674	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2K-H"	76.91904
"141659"	205.010858	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"2M+2K"	77.926316
"582724"	288.034708	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"3M+2K"	77.926316
"1069175"	121.987008	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2K"	77.926316
"1101539"	244.981292	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2K+H"	78.933592
"1335972"	245.068907	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+DMSO+H"	79.021207
"1006078"	249.108076	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+H"	83.060376
"1524449"	250.101708	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+Na+H"	84.054008
"990783"	125.057676	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+2H"	84.067652
"1589666"	251.016328	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+K+HCOOH"	84.968628
"1423712"	281.047838	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+H+CF3COOH"	115.000138
"1158374"	145.570951	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+3ACN+2H"	125.094202
"1706835"	298.074385	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+NH4+CF3COOH"	132.026685
"1643579"	303.02978	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+Na+CF3COOH"	136.98208
"1578136"	319.00372	"C00878"	"D-Arabinonate;D-Arabinonic acid"	"C5H10O6"	"166.0477"	"M+K+CF3COOH"	152.95602
"808501"	210.0376	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M"	0
"978754"	191.01921	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-H2O-H"	-19.01839
"70276"	139.017790666667	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M-3H"	-3.021828
"514211"	209.030324	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M-3H"	-3.021828
"890925"	69.0052573333333	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-3H"	-3.021828
"11689"	209.030324	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M-2H"	-2.014552
"451246"	314.049124	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M-2H"	-2.014552
"823580"	104.011524	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-2H"	-2.014552
"87946"	419.067924	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M-H"	-1.007276
"525320"	629.105524	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M-H"	-1.007276
"900932"	209.030324	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-H"	-1.007276
"56404"	436.094471	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M-2H+NH4"	16.019271
"494871"	646.132071	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M-2H+NH4"	16.019271
"878872"	226.056871	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-2H+NH4"	16.019271
"37291"	441.049866	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M-2H+Na"	20.974666
"475758"	651.087466	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M-2H+Na"	20.974666
"852465"	231.012266	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-2H+Na"	20.974666
"1628562"	231.012266	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Na-2H"	20.974666
"102905"	227.018663	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M-H+Cl"	33.962126
"544658"	332.037463	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M-H+Cl"	33.962126
"934891"	121.999863	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-H+Cl"	33.962126
"278915"	455.044602	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+Cl"	34.969402
"665869"	665.082202	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+Cl"	34.969402
"1282645"	245.007002	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Cl"	34.969402
"20827"	457.023806	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M-2H+K"	36.948606
"459293"	667.061406	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M-2H+K"	36.948606
"835636"	246.986206	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-2H+K"	36.948606
"1556933"	246.986206	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+K-2H"	36.948606
"944455"	255.035794	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-H+HCOOH"	44.998194
"361437"	465.073401	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+HCOOH-H"	44.998201
"345784"	479.089051	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+Hac-H"	59.013851
"1496121"	269.051451	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Hac-H"	59.013851
"962568"	277.017751	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-H+NaCOOH"	66.980151
"118040"	245.007002	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+2Cl"	69.938804
"556506"	350.025802	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+2Cl"	69.938804
"1026408"	139.988202	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2Cl"	69.938804
"1247077"	288.956485	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Br"	78.918885
"1318277"	291.012472	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Cl+HCOOH"	80.974872
"1334321"	312.994429	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Cl+NaCOOH"	102.956829
"914807"	323.023186	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M-H+CF3COOH"	112.985586
"1300633"	358.999864	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Cl+CF3COOH"	148.962264
"1378428"	175.024924	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H-2H2O"	-35.012676
"1392643"	193.0349	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H-H2O"	-17.0027
"295610"	421.082476	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+H"	1.007276
"687674"	631.120076	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+H"	1.007276
"1360013"	211.044876	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H"	1.007276
"137277"	211.044876	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+2H"	2.014552
"578293"	316.063676	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+2H"	2.014552
"1050007"	106.026076	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2H"	2.014552
"218272"	141.032342666667	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+3H"	3.021828
"653094"	211.044876	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+3H"	3.021828
"1174499"	71.0198093333333	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+3H"	3.021828
"437771"	438.109023	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+NH4"	18.033823
"797672"	648.146623	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+NH4"	18.033823
"1695096"	228.071423	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+NH4"	18.033823
"339002"	219.5581495	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+H+NH4"	19.041099
"729237"	324.5769495	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+H+NH4"	19.041099
"1479775"	114.5393495	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H+NH4"	19.041099
"394204"	443.064418	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+Na"	22.989218
"759454"	653.102018	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+Na"	22.989218
"1611929"	233.026818	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Na"	22.989218
"321964"	222.035847	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+H+Na"	23.996494
"717665"	327.054647	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+H+Na"	23.996494
"1464933"	117.017047	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H+Na"	23.996494
"1058541"	78.3471233333333	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2H+Na"	25.00377
"1257585"	243.071086	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+CH3OH+H"	33.033486
"377280"	459.038358	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+K"	38.963158
"739300"	669.075958	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+K"	38.963158
"1540178"	249.000758	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+K"	38.963158
"306314"	230.022817	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+H+K"	39.970434
"693994"	335.041617	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+H+K"	39.970434
"1447082"	125.004017	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H+K"	39.970434
"239334"	462.109026	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+ACN+H"	42.033826
"1216055"	252.071426	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+ACN+H"	42.033826
"1201030"	126.539351	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+ACN+2H"	43.041102
"192808"	465.04636	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+2Na-H"	44.97116
"641119"	675.08396	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+2Na-H"	44.97116
"1135509"	255.00876	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2Na-H"	44.97116
"176613"	233.026818	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+2Na"	45.978436
"616539"	338.045618	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+2Na"	45.978436
"1128802"	128.008018	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2Na"	45.978436
"1410136"	85.6744373333333	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H+2Na"	46.985712
"1441158"	257.050346	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H+HCOOH"	47.012746
"225389"	238.05984	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+3H2O+2H"	56.04448
"1516730"	271.10239	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+IsoProp+H"	61.06479
"420425"	241.013788	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+Na+K"	61.952376
"780690"	346.032588	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+Na+K"	61.952376
"1678118"	135.994988	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Na+K"	61.952376
"255162"	484.090968	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+ACN+Na"	64.015768
"1230058"	274.053368	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+ACN+Na"	64.015768
"1718580"	274.076893	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+NH4+HCOOH"	64.039293
"1183206"	93.0017513333333	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+3Na"	68.967654
"1653827"	279.032288	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Na+HCOOH"	68.994688
"162876"	496.99424	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+2K-H"	76.91904
"602437"	707.03184	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+2K-H"	76.91904
"1088041"	286.95664	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2K-H"	76.91904
"142177"	249.000758	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"2M+2K"	77.926316
"582471"	354.019558	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"3M+2K"	77.926316
"1071116"	143.981958	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2K"	77.926316
"1103231"	288.971192	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2K+H"	78.933592
"1336083"	289.058807	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+DMSO+H"	79.021207
"1005673"	293.097976	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2ACN+H"	83.060376
"1524682"	294.091608	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+IsoProp+Na+H"	84.054008
"990644"	147.052626	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+2ACN+2H"	84.067652
"1589776"	295.006228	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+K+HCOOH"	84.968628
"1423822"	325.037738	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+H+CF3COOH"	115.000138
"1155203"	167.565901	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+3ACN+2H"	125.094202
"1705852"	342.064285	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+NH4+CF3COOH"	132.026685
"1643689"	347.01968	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+Na+CF3COOH"	136.98208
"1578246"	362.99362	"C00879"	"D-Galactarate;D-Mucic acid;D-Galactaric acid;Galactaric acid;Galactarate;Mucic acid"	"C6H10O8"	"210.0376"	"M+K+CF3COOH"	152.95602
"808611"	196.0583	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M"	0
"984331"	177.03991	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"70386"	129.698257333333	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"514320"	195.051024	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"891035"	64.3454906666667	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"13619"	195.051024	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"451356"	293.080174	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"823690"	97.021874	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"90243"	391.109324	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"525430"	587.167624	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"903228"	195.051024	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"57607"	408.135871	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"494981"	604.194171	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"879104"	212.077571	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"38495"	413.091266	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"478054"	609.149566	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"854033"	217.032966	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1629766"	217.032966	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"100828"	213.039363	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"545862"	311.068513	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"935001"	115.010213	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"277932"	427.086002	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"668166"	623.144302	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1279475"	231.027702	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"22031"	429.065206	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"461591"	625.123506	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"836113"	233.006906	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1557047"	233.006906	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"945292"	241.056494	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"361763"	437.114801	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"345858"	451.130451	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1504979"	255.072151	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"965959"	263.038451	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"120337"	231.027702	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"557709"	329.056852	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1029798"	132.998552	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1245001"	274.977185	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1316566"	277.033172	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1333700"	299.015129	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"913824"	309.043886	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1300743"	345.020564	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1378538"	161.045624	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1392753"	179.0556	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"296815"	393.123876	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"689608"	589.182176	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1360123"	197.065576	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"137750"	197.065576	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"576943"	295.094726	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1051943"	99.036426	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"215830"	131.712809333333	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"651018"	197.065576	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1173516"	66.3600426666667	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"438974"	410.150423	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"799969"	606.208723	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1695206"	214.092123	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"338019"	205.5788495	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"732627"	303.6079995	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1482072"	107.5496995	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"394314"	415.105818	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"765032"	611.164118	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1612040"	219.047518	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"322075"	208.056547	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"717776"	306.085697	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1466137"	110.027397	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1057558"	73.6873566666667	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1259600"	229.091786	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"377159"	431.079758	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"738840"	627.138058	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1540250"	235.021458	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"306424"	216.043517	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"695197"	314.072667	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1446826"	118.014367	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"240172"	434.150426	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1211540"	238.092126	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1202234"	119.549701	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"192189"	437.08776	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"629562"	633.14606	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1136713"	241.02946	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"173804"	219.047518	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"617015"	317.076668	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1120163"	121.018368	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1398524"	81.0146706666667	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1433614"	243.071046	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"222582"	224.08054	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1510644"	257.12309	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"417619"	227.034488	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"778614"	325.063638	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1673855"	129.005338	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"254179"	456.132368	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1229075"	260.074068	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1717597"	260.097593	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1182951"	88.3419846666667	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1653208"	265.052988	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"161163"	469.03564	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"603640"	665.09394	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1088151"	272.97734	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"141514"	235.021458	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"582215"	333.050608	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1070496"	136.992308	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1101397"	274.991892	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1335737"	275.079507	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1005682"	279.118676	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1524311"	280.112308	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"989990"	140.062976	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1589522"	281.026928	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1422839"	311.058438	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1154219"	160.576251	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1703775"	328.084985	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1643799"	333.04038	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1578356"	349.01432	"C00880"	"D-Galactonate;D-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"808721"	227.0906	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M"	0
"981161"	208.07221	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-H2O-H"	-19.01839
"72683"	150.386457333333	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M-3H"	-3.021828
"515524"	226.083324	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M-3H"	-3.021828
"892239"	74.6895906666667	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-3H"	-3.021828
"10813"	226.083324	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M-2H"	-2.014552
"451466"	339.628624	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M-2H"	-2.014552
"823800"	112.538024	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-2H"	-2.014552
"88164"	453.173924	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M-H"	-1.007276
"525540"	680.264524	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M-H"	-1.007276
"904432"	226.083324	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-H"	-1.007276
"57717"	470.200471	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M-2H+NH4"	16.019271
"495091"	697.291071	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M-2H+NH4"	16.019271
"873987"	243.109871	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-2H+NH4"	16.019271
"44073"	475.155866	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M-2H+Na"	20.974666
"480353"	702.246466	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M-2H+Na"	20.974666
"854873"	248.065266	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-2H+Na"	20.974666
"1631701"	248.065266	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Na-2H"	20.974666
"100938"	244.071663	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M-H+Cl"	33.962126
"543786"	357.616963	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M-H+Cl"	33.962126
"934018"	130.526363	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-H+Cl"	33.962126
"274762"	489.150602	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+Cl"	34.969402
"668276"	716.241202	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+Cl"	34.969402
"1280679"	262.060002	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Cl"	34.969402
"25421"	491.129806	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M-2H+K"	36.948606
"461701"	718.220406	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M-2H+K"	36.948606
"835857"	264.039206	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-2H+K"	36.948606
"1557521"	264.039206	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+K-2H"	36.948606
"945035"	272.088794	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-H+HCOOH"	44.998194
"362520"	499.179401	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+HCOOH-H"	44.998201
"347860"	513.195051	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+Hac-H"	59.013851
"1499622"	286.104451	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Hac-H"	59.013851
"964975"	294.070751	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-H+NaCOOH"	66.980151
"120447"	262.060002	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+2Cl"	69.938804
"560005"	375.605302	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+2Cl"	69.938804
"1029907"	148.514702	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2Cl"	69.938804
"1245111"	306.009485	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Br"	78.918885
"1308651"	308.065472	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Cl+HCOOH"	80.974872
"1332718"	330.047429	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Cl+NaCOOH"	102.956829
"917214"	340.076186	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M-H+CF3COOH"	112.985586
"1301946"	376.052864	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Cl+CF3COOH"	148.962264
"1378284"	192.077924	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H-2H2O"	-35.012676
"1391770"	210.0879	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H-H2O"	-17.0027
"294738"	455.188476	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+H"	1.007276
"689718"	682.279076	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+H"	1.007276
"1361327"	228.097876	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H"	1.007276
"139317"	228.097876	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+2H"	2.014552
"576325"	341.643176	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+2H"	2.014552
"1052049"	114.552576	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2H"	2.014552
"215576"	152.401009333333	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+3H"	3.021828
"654408"	228.097876	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+3H"	3.021828
"1172533"	76.7041426666667	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+3H"	3.021828
"438356"	472.215023	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+NH4"	18.033823
"798622"	699.305623	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+NH4"	18.033823
"1692036"	245.124423	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+NH4"	18.033823
"338129"	236.6111495	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+H+NH4"	19.041099
"728363"	350.1564495	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+H+NH4"	19.041099
"1482181"	123.0658495	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H+NH4"	19.041099
"393329"	477.170418	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+Na"	22.989218
"759675"	704.261018	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+Na"	22.989218
"1611056"	250.079818	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Na"	22.989218
"322185"	239.088847	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+H+Na"	23.996494
"717886"	352.634147	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+H+Na"	23.996494
"1461626"	125.543547	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H+Na"	23.996494
"1053778"	84.0314566666667	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2H+Na"	25.00377
"1262261"	260.124086	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+CH3OH+H"	33.033486
"377546"	493.144358	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+K"	38.963158
"739026"	720.234958	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+K"	38.963158
"1540110"	266.053758	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+K"	38.963158
"302889"	247.075817	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+H+K"	39.970434
"694211"	360.621117	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+H+K"	39.970434
"1445838"	133.530517	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H+K"	39.970434
"237729"	496.215026	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+ACN+H"	42.033826
"1210345"	269.124426	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+ACN+H"	42.033826
"1198700"	135.065851	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+ACN+2H"	43.041102
"192662"	499.15236	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+2Na-H"	44.97116
"629672"	726.24296	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+2Na-H"	44.97116
"1132202"	272.06176	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2Na-H"	44.97116
"173913"	250.079818	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+2Na"	45.978436
"617487"	363.625118	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+2Na"	45.978436
"1120273"	136.534518	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2Na"	45.978436
"1398932"	91.3587706666667	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H+2Na"	46.985712
"1433724"	274.103346	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H+HCOOH"	47.012746
"221233"	255.11284	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+3H2O+2H"	56.04448
"1510389"	288.15539	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+IsoProp+H"	61.06479
"416637"	258.066788	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+Na+K"	61.952376
"777996"	371.612088	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+Na+K"	61.952376
"1672873"	144.521488	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Na+K"	61.952376
"254289"	518.196968	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+ACN+Na"	64.015768
"1231008"	291.106368	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+ACN+Na"	64.015768
"1718071"	291.129893	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+NH4+HCOOH"	64.039293
"1183061"	98.6860846666667	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+3Na"	68.967654
"1651860"	296.085288	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Na+HCOOH"	68.994688
"157993"	531.10024	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+2K-H"	76.91904
"603750"	758.19084	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+2K-H"	76.91904
"1087168"	304.00964	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2K-H"	76.91904
"141665"	266.053758	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"2M+2K"	77.926316
"582325"	379.599058	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"3M+2K"	77.926316
"1069389"	152.508458	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2K"	77.926316
"1101871"	306.024192	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2K+H"	78.933592
"1335767"	306.111807	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+DMSO+H"	79.021207
"1006039"	310.150976	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2ACN+H"	83.060376
"1524407"	311.144608	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+IsoProp+Na+H"	84.054008
"990012"	155.579126	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+2ACN+2H"	84.067652
"1588902"	312.059228	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+K+HCOOH"	84.968628
"1422949"	342.090738	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+H+CF3COOH"	115.000138
"1151048"	176.092401	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+3ACN+2H"	125.094202
"1706072"	359.117285	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+NH4+CF3COOH"	132.026685
"1643909"	364.07268	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+Na+CF3COOH"	136.98208
"1578466"	380.04662	"C00881"	"Deoxycytidine;2-Deoxycytidine"	"C9H13N3O4"	"227.0906"	"M+K+CF3COOH"	152.95602
"808831"	687.1489	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M"	0
"987833"	668.13051	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-H2O-H"	-19.01839
"74980"	457.091990666667	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M-3H"	-3.021828
"516728"	686.141624	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M-3H"	-3.021828
"892348"	228.042357333333	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-3H"	-3.021828
"8736"	686.141624	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M-2H"	-2.014552
"451576"	1029.716074	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M-2H"	-2.014552
"827191"	342.567174	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-2H"	-2.014552
"88274"	1373.290524	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M-H"	-1.007276
"532090"	2060.439424	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M-H"	-1.007276
"902358"	686.141624	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-H"	-1.007276
"54546"	1390.317071	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M-2H+NH4"	16.019271
"493014"	2077.465971	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M-2H+NH4"	16.019271
"874097"	703.168171	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-2H+NH4"	16.019271
"44183"	1395.272466	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M-2H+Na"	20.974666
"480463"	2082.421366	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M-2H+Na"	20.974666
"857169"	708.123566	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-2H+Na"	20.974666
"1631809"	708.123566	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Na-2H"	20.974666
"101049"	704.129963	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M-H+Cl"	33.962126
"548636"	1047.704413	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M-H+Cl"	33.962126
"937408"	360.555513	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-H+Cl"	33.962126
"280339"	1409.267202	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+Cl"	34.969402
"670573"	2096.416102	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+Cl"	34.969402
"1281883"	722.118302	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Cl"	34.969402
"25531"	1411.246406	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M-2H+K"	36.948606
"461812"	2098.395306	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M-2H+K"	36.948606
"839613"	724.097506	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-2H+K"	36.948606
"1556901"	724.097506	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+K-2H"	36.948606
"945513"	732.147094	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-H+HCOOH"	44.998194
"362268"	1419.296001	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+HCOOH-H"	44.998201
"348700"	1433.311651	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+Hac-H"	59.013851
"1496452"	746.162751	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Hac-H"	59.013851
"960711"	754.129051	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-H+NaCOOH"	66.980151
"120556"	722.118302	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+2Cl"	69.938804
"555742"	1065.692752	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+2Cl"	69.938804
"1032204"	378.543852	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2Cl"	69.938804
"1250688"	766.067785	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Br"	78.918885
"1319211"	768.123772	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Cl+HCOOH"	80.974872
"1332467"	790.105729	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Cl+NaCOOH"	102.956829
"919511"	800.134486	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M-H+CF3COOH"	112.985586
"1299139"	836.111164	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Cl+CF3COOH"	148.962264
"1375477"	652.136224	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H-2H2O"	-35.012676
"1389692"	670.1462	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H-H2O"	-17.0027
"295212"	1375.305076	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+H"	1.007276
"690680"	2062.453976	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+H"	1.007276
"1365082"	688.156176	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H"	1.007276
"139428"	688.156176	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+2H"	2.014552
"577892"	1031.730626	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+2H"	2.014552
"1052406"	344.581726	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2H"	2.014552
"216050"	459.106542666667	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+3H"	3.021828
"653425"	688.156176	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+3H"	3.021828
"1175923"	230.056909333333	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+3H"	3.021828
"439520"	1392.331623	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+NH4"	18.033823
"799096"	2079.480523	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+NH4"	18.033823
"1694333"	705.182723	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+NH4"	18.033823
"341520"	696.6694495	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+H+NH4"	19.041099
"732847"	1040.2438995	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+H+NH4"	19.041099
"1483385"	353.0949995	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H+NH4"	19.041099
"398787"	1397.287018	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+Na"	22.989218
"765252"	2084.435918	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+Na"	22.989218
"1612261"	710.138118	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Na"	22.989218
"323389"	699.147147	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+H+Na"	23.996494
"717997"	1042.721597	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+H+Na"	23.996494
"1463681"	355.572697	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H+Na"	23.996494
"1056319"	237.384223333333	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2H+Na"	25.00377
"1260186"	720.182386	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+CH3OH+H"	33.033486
"379486"	1413.260958	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+K"	38.963158
"744127"	2100.409858	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+K"	38.963158
"1546910"	726.112058	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+K"	38.963158
"302268"	707.134117	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+H+K"	39.970434
"694321"	1050.708567	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+H+K"	39.970434
"1448506"	363.559667	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H+K"	39.970434
"238202"	1416.331626	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+ACN+H"	42.033826
"1211273"	729.182726	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+ACN+H"	42.033826
"1198443"	365.095001	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+ACN+2H"	43.041102
"192406"	1419.26896	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+2Na-H"	44.97116
"630499"	2106.41786	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+2Na-H"	44.97116
"1134012"	732.12006	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2Na-H"	44.97116
"175480"	710.138118	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+2Na"	45.978436
"620151"	1053.712568	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+2Na"	45.978436
"1117102"	366.563668	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2Na"	45.978436
"1399406"	244.711537333333	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H+2Na"	46.985712
"1433835"	734.161646	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H+HCOOH"	47.012746
"222072"	715.17114	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+3H2O+2H"	56.04448
"1510499"	748.21369	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+IsoProp+H"	61.06479
"415653"	718.125088	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+Na+K"	61.952376
"776648"	1061.699538	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+Na+K"	61.952376
"1670795"	374.550638	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Na+K"	61.952376
"254399"	1438.313568	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+ACN+Na"	64.015768
"1230024"	751.164668	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+ACN+Na"	64.015768
"1716724"	751.188193	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+NH4+HCOOH"	64.039293
"1183535"	252.038851333333	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+3Na"	68.967654
"1652699"	756.143588	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Na+HCOOH"	68.994688
"160289"	1451.21684	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+2K-H"	76.91904
"604953"	2138.36574	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+2K-H"	76.91904
"1089464"	764.06794	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2K-H"	76.91904
"141856"	726.112058	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"2M+2K"	77.926316
"582921"	1069.686508	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"3M+2K"	77.926316
"1069499"	382.537608	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2K"	77.926316
"1102469"	766.082492	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2K+H"	78.933592
"1337151"	766.170107	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+DMSO+H"	79.021207
"1006077"	770.209276	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2ACN+H"	83.060376
"1524171"	771.202908	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+IsoProp+Na+H"	84.054008
"990288"	385.608276	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+2ACN+2H"	84.067652
"1589012"	772.117528	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+K+HCOOH"	84.968628
"1423058"	802.149038	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+H+CF3COOH"	115.000138
"1154440"	406.121551	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+3ACN+2H"	125.094202
"1703995"	819.175585	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+NH4+CF3COOH"	132.026685
"1640739"	824.13098	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+Na+CF3COOH"	136.98208
"1578576"	840.10492	"C00882"	"Dephospho-CoA;Dephosphocoenzyme A;3-Dephospho-CoA"	"C21H35N7O13P2S"	"687.1489"	"M+K+CF3COOH"	152.95602
"808941"	504.169	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M"	0
"987943"	485.15061	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"71809"	335.105390666667	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"513558"	503.161724	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"892458"	167.049057333333	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"9939"	503.161724	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"452780"	755.246224	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"829488"	251.077224	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"91666"	1007.330724	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"527947"	1511.499724	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"903562"	503.161724	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"56841"	1024.357271	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"495307"	1528.526271	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"873113"	520.188271	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"41013"	1029.312666	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"480573"	1533.481666	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"857280"	525.143666	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1629002"	525.143666	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"106628"	521.150063	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"549518"	773.234563	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"938613"	269.065563	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"280449"	1043.307402	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"672871"	1547.476402	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1281993"	539.138402	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"24550"	1045.286606	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"461922"	1549.455606	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"839724"	541.117606	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1563211"	541.117606	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"946718"	549.167194	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"363109"	1053.336201	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"346140"	1067.351851	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1498748"	563.182851	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"961914"	571.149151	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"122852"	539.138402	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"555852"	791.222902	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1034502"	287.053902	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1252985"	583.087885	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1316526"	585.143872	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1332934"	607.125829	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"922905"	617.154586	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1298885"	653.131264	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1379599"	469.156324	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1393813"	487.1663	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"294598"	1009.345276	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"689941"	1513.514276	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1366775"	505.176276	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H"	1.007276
"140634"	505.176276	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"580926"	757.260776	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1051547"	253.091776	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"218961"	337.119942666667	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"659129"	505.176276	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1177982"	169.063609333333	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"439839"	1026.371823	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"801155"	1530.540823	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1694444"	522.202823	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"340535"	513.6895495	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"732957"	765.7740495	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1483495"	261.6050495	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"398897"	1031.327218	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"766456"	1535.496218	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1615287"	527.158218	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"326779"	516.167247	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"719201"	768.251747	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1468652"	264.082747	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1057523"	176.390923333333	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1263576"	537.202486	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"382152"	1047.301158	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"745695"	1551.470158	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1548479"	543.132158	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+K"	38.963158
"302377"	524.154217	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"699173"	776.238717	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1451170"	272.069717	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"240866"	1050.371826	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1213574"	546.202826	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1198553"	273.605051	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"189964"	1053.30916	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"631337"	1557.47816	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1132788"	549.14016	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"174862"	527.158218	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"622447"	779.242718	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1124867"	275.073718	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1402922"	183.718237333333	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1439413"	551.181746	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"225828"	532.19124	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1514984"	565.23379	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"416859"	535.145188	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"780038"	787.229688	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1674186"	283.060688	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"254145"	1072.353768	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1227219"	568.184768	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1717928"	568.208293	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1180366"	191.045551333333	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1651716"	573.163688	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"164410"	1085.25704	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"599960"	1589.42604	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1086294"	581.08804	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"141520"	543.132158	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"581420"	795.216658	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1069243"	291.047658	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1102579"	583.102592	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1342243"	583.190207	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1007734"	587.229376	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1524399"	588.223008	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"990239"	294.118326	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1589853"	589.137628	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1422074"	619.169138	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1155642"	314.631601	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1704105"	636.195685	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1640849"	641.15108	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1578686"	657.12502	"C00883"	"Galactomannan;Galactomannoglycan"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"813426"	240.1222	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M"	0
"988053"	221.10381	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-H2O-H"	-19.01839
"69733"	159.074190666667	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M-3H"	-3.021828
"514761"	239.114924	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M-3H"	-3.021828
"894634"	79.0334573333333	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-3H"	-3.021828
"10049"	239.114924	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M-2H"	-2.014552
"452890"	359.176024	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M-2H"	-2.014552
"826318"	119.053824	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-2H"	-2.014552
"89589"	479.237124	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M-H"	-1.007276
"531339"	719.359324	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M-H"	-1.007276
"905859"	239.114924	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-H"	-1.007276
"56951"	496.263671	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M-2H+NH4"	16.019271
"492505"	736.385871	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M-2H+NH4"	16.019271
"873223"	256.141471	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-2H+NH4"	16.019271
"37113"	501.219066	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M-2H+Na"	20.974666
"481776"	741.341266	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M-2H+Na"	20.974666
"855203"	261.096866	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-2H+Na"	20.974666
"1629112"	261.096866	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Na-2H"	20.974666
"101269"	257.103263	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M-H+Cl"	33.962126
"547398"	377.164363	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M-H+Cl"	33.962126
"939817"	137.042163	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-H+Cl"	33.962126
"275092"	515.213802	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+Cl"	34.969402
"671887"	755.336002	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+Cl"	34.969402
"1282103"	275.091602	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Cl"	34.969402
"22473"	517.193006	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M-2H+K"	36.948606
"458022"	757.315206	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M-2H+K"	36.948606
"836554"	277.070806	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-2H+K"	36.948606
"1558947"	277.070806	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+K-2H"	36.948606
"945005"	285.120394	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-H+HCOOH"	44.998194
"362000"	525.242601	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+HCOOH-H"	44.998201
"347098"	539.258251	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+Hac-H"	59.013851
"1492843"	299.136051	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Hac-H"	59.013851
"959103"	307.102351	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-H+NaCOOH"	66.980151
"110138"	275.091602	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+2Cl"	69.938804
"555962"	395.152702	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+2Cl"	69.938804
"1034612"	155.030502	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2Cl"	69.938804
"1253095"	319.041085	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Br"	78.918885
"1316636"	321.097072	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Cl+HCOOH"	80.974872
"1333408"	343.079029	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Cl+NaCOOH"	102.956829
"924473"	353.107786	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M-H+CF3COOH"	112.985586
"1298268"	389.084464	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Cl+CF3COOH"	148.962264
"1380074"	205.109524	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H-2H2O"	-35.012676
"1393923"	223.1195	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H-H2O"	-17.0027
"296166"	481.251676	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+H"	1.007276
"690172"	721.373876	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+H"	1.007276
"1366942"	241.129476	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H"	1.007276
"140383"	241.129476	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+2H"	2.014552
"580915"	361.190576	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+2H"	2.014552
"1052386"	121.068376	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2H"	2.014552
"217734"	161.088742666667	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+3H"	3.021828
"658750"	241.129476	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+3H"	3.021828
"1177485"	81.0480093333333	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+3H"	3.021828
"439904"	498.278223	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+NH4"	18.033823
"800290"	738.400423	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+NH4"	18.033823
"1696014"	258.156023	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+NH4"	18.033823
"344170"	249.6427495	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+H+NH4"	19.041099
"735254"	369.7038495	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+H+NH4"	19.041099
"1486887"	129.5816495	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H+NH4"	19.041099
"404474"	503.233618	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+Na"	22.989218
"764380"	743.355818	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+Na"	22.989218
"1616491"	263.111418	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Na"	22.989218
"324704"	252.120447	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+H+Na"	23.996494
"717125"	372.181547	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+H+Na"	23.996494
"1472044"	132.059347	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H+Na"	23.996494
"1064197"	88.3753233333333	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2H+Na"	25.00377
"1266968"	273.155686	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+CH3OH+H"	33.033486
"385543"	519.207558	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+K"	38.963158
"742163"	759.329758	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+K"	38.963158
"1546405"	279.085358	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+K"	38.963158
"302491"	260.107417	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+H+K"	39.970434
"696368"	380.168517	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+H+K"	39.970434
"1450188"	140.046317	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H+K"	39.970434
"240613"	522.278226	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+ACN+H"	42.033826
"1215509"	282.156026	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+ACN+H"	42.033826
"1207773"	141.581651	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+ACN+2H"	43.041102
"191533"	525.21556	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+2Na-H"	44.97116
"631082"	765.33776	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+2Na-H"	44.97116
"1132534"	285.09336	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2Na-H"	44.97116
"174363"	263.111418	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+2Na"	45.978436
"618184"	383.172518	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+2Na"	45.978436
"1125707"	143.050318	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2Na"	45.978436
"1405219"	95.7026373333333	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H+2Na"	46.985712
"1436241"	287.134946	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H+HCOOH"	47.012746
"225938"	268.14444	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+3H2O+2H"	56.04448
"1516188"	301.18699	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+IsoProp+H"	61.06479
"416969"	271.098388	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+Na+K"	61.952376
"780148"	391.159488	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+Na+K"	61.952376
"1676484"	151.037288	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Na+K"	61.952376
"254255"	544.260168	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+ACN+Na"	64.015768
"1227329"	304.137968	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+ACN+Na"	64.015768
"1718404"	304.161493	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+NH4+HCOOH"	64.039293
"1181570"	103.029951333333	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+3Na"	68.967654
"1656566"	309.116888	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Na+HCOOH"	68.994688
"164886"	557.16344	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+2K-H"	76.91904
"604081"	797.28564	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+2K-H"	76.91904
"1088592"	317.04124	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2K-H"	76.91904
"144678"	279.085358	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"2M+2K"	77.926316
"584967"	399.146458	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"3M+2K"	77.926316
"1074947"	159.024258	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2K"	77.926316
"1107065"	319.055792	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2K+H"	78.933592
"1340169"	319.143407	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+DMSO+H"	79.021207
"1009790"	323.182576	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2ACN+H"	83.060376
"1525605"	324.176208	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+IsoProp+Na+H"	84.054008
"990229"	162.094926	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+2ACN+2H"	84.067652
"1591056"	325.090828	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+K+HCOOH"	84.968628
"1426559"	355.122338	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+H+CF3COOH"	115.000138
"1159764"	182.608201	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+3ACN+2H"	125.094202
"1699839"	372.148885	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+NH4+CF3COOH"	132.026685
"1634396"	377.10428	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+Na+CF3COOH"	136.98208
"1578796"	393.07822	"C00884"	"Homocarnosine;L-Homocarnosine;gamma-Aminobutyryl histidine;N-(4-Amino-1-oxobutyryl)histidine"	"C10H16N4O3"	"240.1222"	"M+K+CF3COOH"	152.95602
"812441"	226.0477	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M"	0
"983786"	207.02931	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-H2O-H"	-19.01839
"77496"	149.691190666667	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M-3H"	-3.021828
"517056"	225.040424	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M-3H"	-3.021828
"892678"	74.3419573333333	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-3H"	-3.021828
"6879"	225.040424	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M-2H"	-2.014552
"448626"	338.064274	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M-2H"	-2.014552
"827520"	112.016574	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-2H"	-2.014552
"91883"	451.088124	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M-H"	-1.007276
"527074"	677.135824	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M-H"	-1.007276
"909494"	225.040424	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-H"	-1.007276
"59247"	468.114671	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M-2H+NH4"	16.019271
"497716"	694.162371	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M-2H+NH4"	16.019271
"878316"	242.066971	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-2H+NH4"	16.019271
"44513"	473.070066	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M-2H+Na"	20.974666
"484802"	699.117766	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M-2H+Na"	20.974666
"860779"	247.022366	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-2H+Na"	20.974666
"1631408"	247.022366	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Na-2H"	20.974666
"104659"	243.028763	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M-H+Cl"	33.962126
"545321"	356.052613	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M-H+Cl"	33.962126
"938834"	130.004913	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-H+Cl"	33.962126
"278482"	487.064802	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+Cl"	34.969402
"673091"	713.112502	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+Cl"	34.969402
"1283306"	261.017102	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Cl"	34.969402
"26955"	489.044006	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M-2H+K"	36.948606
"459224"	715.091706	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M-2H+K"	36.948606
"839943"	262.996306	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-2H+K"	36.948606
"1560149"	262.996306	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+K-2H"	36.948606
"944019"	271.045894	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-H+HCOOH"	44.998194
"362234"	497.093601	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+HCOOH-H"	44.998201
"348302"	511.109251	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+Hac-H"	59.013851
"1493248"	285.061551	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Hac-H"	59.013851
"959214"	293.027851	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-H+NaCOOH"	66.980151
"110544"	261.017102	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+2Cl"	69.938804
"550225"	374.040952	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+2Cl"	69.938804
"1035452"	147.993252	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2Cl"	69.938804
"1247737"	304.966585	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Br"	78.918885
"1305082"	307.022572	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Cl+HCOOH"	80.974872
"1330962"	329.004529	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Cl+NaCOOH"	102.956829
"925304"	339.033286	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M-H+CF3COOH"	112.985586
"1299824"	375.009964	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Cl+CF3COOH"	148.962264
"1381402"	191.035024	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H-2H2O"	-35.012676
"1392209"	209.045	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H-H2O"	-17.0027
"292989"	453.102676	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+H"	1.007276
"687606"	679.150376	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+H"	1.007276
"1362132"	227.054976	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H"	1.007276
"135383"	227.054976	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+2H"	2.014552
"576769"	340.078826	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+2H"	2.014552
"1050304"	114.031126	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2H"	2.014552
"216383"	151.705742666667	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+3H"	3.021828
"649378"	227.054976	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+3H"	3.021828
"1174430"	76.3565093333333	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+3H"	3.021828
"431869"	470.129223	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+NH4"	18.033823
"790678"	696.176923	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+NH4"	18.033823
"1693934"	244.081523	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+NH4"	18.033823
"333828"	235.5682495	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+H+NH4"	19.041099
"725156"	348.5920995	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+H+NH4"	19.041099
"1482621"	122.5443995	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H+NH4"	19.041099
"404585"	475.084618	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+Na"	22.989218
"763397"	701.132318	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+Na"	22.989218
"1613682"	249.036918	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Na"	22.989218
"324449"	238.045947	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+H+Na"	23.996494
"716142"	351.069797	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+H+Na"	23.996494
"1465592"	125.022097	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H+Na"	23.996494
"1059931"	83.6838233333333	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2H+Na"	25.00377
"1265984"	259.081186	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+CH3OH+H"	33.033486
"385655"	491.058558	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+K"	38.963158
"743368"	717.106258	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+K"	38.963158
"1544329"	265.010858	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+K"	38.963158
"299683"	246.032917	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+H+K"	39.970434
"694290"	359.056767	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+H+K"	39.970434
"1449570"	133.009067	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H+K"	39.970434
"239994"	494.129226	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+ACN+H"	42.033826
"1214524"	268.081526	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+ACN+H"	42.033826
"1202780"	134.544401	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+ACN+2H"	43.041102
"188666"	497.06656	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+2Na-H"	44.97116
"630467"	723.11426	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+2Na-H"	44.97116
"1136531"	271.01886	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2Na-H"	44.97116
"175448"	249.036918	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+2Na"	45.978436
"619387"	362.060768	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+2Na"	45.978436
"1122901"	136.013068	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2Na"	45.978436
"1404236"	91.0111373333333	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H+2Na"	46.985712
"1436351"	273.060446	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H+HCOOH"	47.012746
"227142"	254.06994	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+3H2O+2H"	56.04448
"1516298"	287.11249	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+IsoProp+H"	61.06479
"418900"	257.023888	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+Na+K"	61.952376
"780989"	370.047738	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+Na+K"	61.952376
"1675499"	144.000038	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Na+K"	61.952376
"252907"	516.111168	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+ACN+Na"	64.015768
"1227075"	290.063468	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+ACN+Na"	64.015768
"1718150"	290.086993	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+NH4+HCOOH"	64.039293
"1183503"	98.3384513333333	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+3Na"	68.967654
"1655583"	295.042388	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Na+HCOOH"	68.994688
"162081"	529.01444	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+2K-H"	76.91904
"602005"	755.06214	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+2K-H"	76.91904
"1087973"	302.96674	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2K-H"	76.91904
"145153"	265.010858	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"2M+2K"	77.926316
"583986"	378.034708	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"3M+2K"	77.926316
"1072872"	151.987008	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2K"	77.926316
"1104988"	304.981292	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2K+H"	78.933592
"1341372"	305.068907	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+DMSO+H"	79.021207
"1009900"	309.108076	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2ACN+H"	83.060376
"1525839"	310.101708	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+IsoProp+Na+H"	84.054008
"990217"	155.057676	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+2ACN+2H"	84.067652
"1592260"	311.016328	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+K+HCOOH"	84.968628
"1424483"	341.047838	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+H+CF3COOH"	115.000138
"1160967"	175.570951	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+3ACN+2H"	125.094202
"1697761"	358.074385	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+NH4+CF3COOH"	132.026685
"1641068"	363.02978	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+Na+CF3COOH"	136.98208
"1578906"	379.00372	"C00885"	"Isochorismate;Isochorismic acid"	"C10H10O6"	"226.0477"	"M+K+CF3COOH"	152.95602
"809272"	44.0011	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M"	0
"976244"	24.98271	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-H2O-H"	-19.01839
"68859"	28.3267906666667	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M-3H"	-3.021828
"507329"	42.993824	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M-3H"	-3.021828
"889505"	13.6597573333333	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-3H"	-3.021828
"3708"	42.993824	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M-2H"	-2.014552
"448735"	64.994374	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M-2H"	-2.014552
"828723"	20.993274	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-2H"	-2.014552
"86530"	86.994924	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M-H"	-1.007276
"524266"	130.996024	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M-H"	-1.007276
"901704"	42.993824	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-H"	-1.007276
"52433"	104.021471	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M-2H+NH4"	16.019271
"501111"	148.022571	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M-2H+NH4"	16.019271
"874537"	60.020371	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-2H+NH4"	16.019271
"40250"	108.976866	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M-2H+Na"	20.974666
"485885"	152.977966	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M-2H+Na"	20.974666
"858707"	64.975766	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-2H+Na"	20.974666
"1628242"	64.975766	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Na-2H"	20.974666
"94567"	60.982163	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M-H+Cl"	33.962126
"541058"	82.982713	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M-H+Cl"	33.962126
"932384"	38.981613	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-H+Cl"	33.962126
"276408"	122.971602	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+Cl"	34.969402
"672475"	166.972702	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+Cl"	34.969402
"1280138"	78.970502	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Cl"	34.969402
"19412"	124.950806	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M-2H+K"	36.948606
"456901"	168.951906	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M-2H+K"	36.948606
"833247"	80.949706	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-2H+K"	36.948606
"1556247"	80.949706	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+K-2H"	36.948606
"943886"	88.999294	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-H+HCOOH"	44.998194
"366349"	133.000401	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+HCOOH-H"	44.998201
"350246"	147.016051	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+Hac-H"	59.013851
"1496890"	103.014951	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Hac-H"	59.013851
"959326"	110.981251	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-H+NaCOOH"	66.980151
"110655"	78.970502	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+2Cl"	69.938804
"565310"	100.971052	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+2Cl"	69.938804
"1035198"	56.969952	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2Cl"	69.938804
"1253316"	122.919985	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Br"	78.918885
"1317225"	124.975972	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Cl+HCOOH"	80.974872
"1328886"	146.957929	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Cl+NaCOOH"	102.956829
"925780"	156.986686	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M-H+CF3COOH"	112.985586
"1299941"	192.963364	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Cl+CF3COOH"	148.962264
"1378104"	8.988424	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H-2H2O"	-35.012676
"1395237"	26.9984	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H-H2O"	-17.0027
"294196"	89.009476	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+H"	1.007276
"686986"	133.010576	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+H"	1.007276
"1362968"	45.008376	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H"	1.007276
"137678"	45.008376	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+2H"	2.014552
"577604"	67.008926	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+2H"	2.014552
"1045308"	23.007826	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2H"	2.014552
"213208"	30.3413426666667	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+3H"	3.021828
"652769"	45.008376	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+3H"	3.021828
"1169802"	15.6743093333333	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+3H"	3.021828
"429793"	106.036023	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+NH4"	18.033823
"788600"	150.037123	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+NH4"	18.033823
"1687120"	62.034923	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+NH4"	18.033823
"334667"	53.5216495	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+H+NH4"	19.041099
"726722"	75.5221995	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+H+NH4"	19.041099
"1487110"	31.5210995	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H+NH4"	19.041099
"406524"	110.991418	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+Na"	22.989218
"768492"	154.992518	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+Na"	22.989218
"1617324"	66.990318	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Na"	22.989218
"327726"	55.999347	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+H+Na"	23.996494
"719904"	77.999897	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+H+Na"	23.996494
"1471173"	33.998797	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H+Na"	23.996494
"1063322"	23.0016233333333	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2H+Na"	25.00377
"1263910"	77.034586	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+CH3OH+H"	33.033486
"383577"	126.965358	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+K"	38.963158
"745665"	170.966458	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+K"	38.963158
"1546623"	82.964258	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+K"	38.963158
"303802"	63.986317	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+H+K"	39.970434
"694037"	85.986867	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+H+K"	39.970434
"1449316"	41.985767	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H+K"	39.970434
"239739"	130.036026	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+ACN+H"	42.033826
"1215727"	86.034926	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+ACN+H"	42.033826
"1194588"	43.521101	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+ACN+2H"	43.041102
"189074"	132.97336	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+2Na-H"	44.97116
"630091"	176.97446	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+2Na-H"	44.97116
"1135553"	88.97226	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2Na-H"	44.97116
"181032"	66.990318	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+2Na"	45.978436
"619504"	88.990868	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+2Na"	45.978436
"1120824"	44.989768	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2Na"	45.978436
"1403254"	30.3289373333333	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H+2Na"	46.985712
"1435369"	91.013846	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H+HCOOH"	47.012746
"227252"	72.02334	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+3H2O+2H"	56.04448
"1512034"	105.06589	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+IsoProp+H"	61.06479
"417186"	74.977288	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+Na+K"	61.952376
"779276"	96.977838	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+Na+K"	61.952376
"1673426"	52.976738	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Na+K"	61.952376
"254113"	152.017968	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+ACN+Na"	64.015768
"1227549"	108.016868	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+ACN+Na"	64.015768
"1718259"	108.040393	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+NH4+HCOOH"	64.039293
"1183976"	37.6562513333333	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+3Na"	68.967654
"1655691"	112.995788	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Na+HCOOH"	68.994688
"158907"	164.92124	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+2K-H"	76.91904
"602114"	208.92234	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+2K-H"	76.91904
"1086989"	120.92014	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2K-H"	76.91904
"141937"	82.964258	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"2M+2K"	77.926316
"583241"	104.964808	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"3M+2K"	77.926316
"1072981"	60.963708	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2K"	77.926316
"1102909"	122.934692	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2K+H"	78.933592
"1337105"	123.022307	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+DMSO+H"	79.021207
"1012199"	127.061476	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2ACN+H"	83.060376
"1529232"	128.055108	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+IsoProp+Na+H"	84.054008
"996775"	64.034376	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+2ACN+2H"	84.067652
"1596745"	128.969728	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+K+HCOOH"	84.968628
"1420218"	159.001238	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+H+CF3COOH"	115.000138
"1152695"	84.547651	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+3ACN+2H"	125.094202
"1697182"	176.027785	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+NH4+CF3COOH"	132.026685
"1638992"	180.98318	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+Na+CF3COOH"	136.98208
"1579017"	196.95712	"C00887"	"Nitrous oxide;Dinitrogen monoxide;Dinitrogen oxide;N2O"	"N2O"	"44.0011"	"M+K+CF3COOH"	152.95602
"809382"	851.1727	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M"	0
"978541"	832.15431	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-H2O-H"	-19.01839
"70063"	566.441190666667	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M-3H"	-3.021828
"512903"	850.165424	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M-3H"	-3.021828
"894474"	282.716957333333	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-3H"	-3.021828
"14143"	850.165424	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M-2H"	-2.014552
"452125"	1275.751774	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M-2H"	-2.014552
"829925"	424.579074	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-2H"	-2.014552
"88826"	1701.338124	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M-H"	-1.007276
"529478"	2552.510824	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M-H"	-1.007276
"908373"	850.165424	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-H"	-1.007276
"53272"	1718.364671	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+NH4"	16.019271
"500126"	2569.537371	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+NH4"	16.019271
"874647"	867.191971	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-2H+NH4"	16.019271
"45706"	1723.320066	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+Na"	20.974666
"486726"	2574.492766	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+Na"	20.974666
"862097"	872.147366	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-2H+Na"	20.974666
"1631998"	872.147366	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Na-2H"	20.974666
"107074"	868.153763	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M-H+Cl"	33.962126
"547000"	1293.740113	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M-H+Cl"	33.962126
"938690"	442.567413	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-H+Cl"	33.962126
"279070"	1737.314802	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+Cl"	34.969402
"672952"	2588.487502	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+Cl"	34.969402
"1284621"	886.142102	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Cl"	34.969402
"27176"	1739.294006	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+K"	36.948606
"457015"	2590.466706	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+K"	36.948606
"833597"	888.121306	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-2H+K"	36.948606
"1557453"	888.121306	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+K-2H"	36.948606
"943994"	896.170894	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-H+HCOOH"	44.998194
"362818"	1747.343601	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+HCOOH-H"	44.998201
"352542"	1761.359251	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+Hac-H"	59.013851
"1497000"	910.186551	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Hac-H"	59.013851
"960288"	918.152851	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-H+NaCOOH"	66.980151
"110521"	886.142102	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+2Cl"	69.938804
"564691"	1311.728452	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+2Cl"	69.938804
"1036403"	460.555752	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2Cl"	69.938804
"1254156"	930.091585	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Br"	78.918885
"1319158"	932.147572	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+HCOOH"	80.974872
"1331183"	954.129529	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+NaCOOH"	102.956829
"922242"	964.158286	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M-H+CF3COOH"	112.985586
"1303336"	1000.134964	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+CF3COOH"	148.962264
"1373838"	816.160024	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H-2H2O"	-35.012676
"1388056"	834.17	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H-H2O"	-17.0027
"296127"	1703.352676	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+H"	1.007276
"690619"	2554.525376	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+H"	1.007276
"1364535"	852.179976	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H"	1.007276
"140705"	852.179976	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+2H"	2.014552
"580266"	1277.766326	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+2H"	2.014552
"1046510"	426.593626	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2H"	2.014552
"214411"	568.455742666667	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+3H"	3.021828
"653973"	852.179976	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+3H"	3.021828
"1174651"	284.731509333333	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+3H"	3.021828
"434277"	1720.379223	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+NH4"	18.033823
"790896"	2571.551923	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+NH4"	18.033823
"1687230"	869.206523	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+NH4"	18.033823
"337693"	860.6932495	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+H+NH4"	19.041099
"727925"	1286.2795995	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+H+NH4"	19.041099
"1487219"	435.1068995	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H+NH4"	19.041099
"402622"	1725.334618	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+Na"	22.989218
"764711"	2576.507318	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+Na"	22.989218
"1617190"	874.161918	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Na"	22.989218
"329293"	863.170947	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+H+Na"	23.996494
"720740"	1288.757297	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+H+Na"	23.996494
"1475654"	437.584597	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H+Na"	23.996494
"1064525"	292.058823333333	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2H+Na"	25.00377
"1270579"	884.206186	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+CH3OH+H"	33.033486
"388060"	1741.308558	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+K"	38.963158
"746868"	2592.481258	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+K"	38.963158
"1546733"	890.135858	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+K"	38.963158
"306100"	871.157917	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+H+K"	39.970434
"698522"	1296.744267	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+H+K"	39.970434
"1452342"	445.571567	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H+K"	39.970434
"242036"	1744.379226	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+H"	42.033826
"1214744"	893.206526	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+H"	42.033826
"1198630"	447.106901	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+2H"	43.041102
"192595"	1747.31656	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na-H"	44.97116
"629960"	2598.48926	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na-H"	44.97116
"1140037"	896.14386	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2Na-H"	44.97116
"181142"	874.161918	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na"	45.978436
"621801"	1299.748268	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na"	45.978436
"1123121"	448.575568	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2Na"	45.978436
"1406644"	299.386137333333	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H+2Na"	46.985712
"1435479"	898.185446	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H+HCOOH"	47.012746
"227362"	879.19494	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+3H2O+2H"	56.04448
"1518704"	912.23749	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+H"	61.06479
"416203"	882.148888	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+Na+K"	61.952376
"780479"	1307.735238	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+Na+K"	61.952376
"1673536"	456.562538	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Na+K"	61.952376
"256775"	1766.361168	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+Na"	64.015768
"1229483"	915.188468	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+Na"	64.015768
"1717275"	915.211993	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+HCOOH"	64.039293
"1185909"	306.713451333333	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+3Na"	68.967654
"1655802"	920.167388	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Na+HCOOH"	68.994688
"158653"	1779.26444	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+2K-H"	76.91904
"601131"	2630.43714	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+2K-H"	76.91904
"1087099"	928.09174	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2K-H"	76.91904
"145738"	890.135858	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"2M+2K"	77.926316
"584204"	1315.722208	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"3M+2K"	77.926316
"1073455"	464.549508	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2K"	77.926316
"1103383"	930.106292	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2K+H"	78.933592
"1340496"	930.193907	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+DMSO+H"	79.021207
"1011216"	934.233076	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+H"	83.060376
"1527517"	935.226708	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+Na+H"	84.054008
"996884"	467.620176	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+2H"	84.067652
"1592481"	936.141328	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+K+HCOOH"	84.968628
"1423608"	966.172838	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+H+CF3COOH"	115.000138
"1154993"	488.133451	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+3ACN+2H"	125.094202
"1697982"	983.199385	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+CF3COOH"	132.026685
"1639102"	988.15478	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+Na+CF3COOH"	136.98208
"1579127"	1004.12872	"C00888"	"Pentanoyl-CoA;Valeryl-coenzyme A"	"C26H44N7O17P3S"	"851.1727"	"M+K+CF3COOH"	152.95602
"809493"	302.261	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M"	0
"985213"	283.24261	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-H2O-H"	-19.01839
"73456"	200.500057333333	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M-3H"	-3.021828
"517394"	301.253724	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M-3H"	-3.021828
"893008"	99.7463906666667	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-3H"	-3.021828
"12675"	301.253724	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M-2H"	-2.014552
"448955"	452.384224	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M-2H"	-2.014552
"827852"	150.123224	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-2H"	-2.014552
"85657"	603.514724	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M-H"	-1.007276
"522663"	905.775724	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M-H"	-1.007276
"905207"	301.253724	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-H"	-1.007276
"61531"	620.541271	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M-2H+NH4"	16.019271
"501330"	922.802271	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M-2H+NH4"	16.019271
"879137"	318.280271	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-2H+NH4"	16.019271
"45941"	625.496666	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M-2H+Na"	20.974666
"486232"	927.757666	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M-2H+Na"	20.974666
"861117"	323.235666	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-2H+Na"	20.974666
"1621909"	323.235666	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Na-2H"	20.974666
"102812"	319.242063	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M-H+Cl"	33.962126
"546746"	470.372563	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M-H+Cl"	33.962126
"935886"	168.111563	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-H+Cl"	33.962126
"281247"	639.491402	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+Cl"	34.969402
"675250"	941.752402	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+Cl"	34.969402
"1282545"	337.230402	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Cl"	34.969402
"20726"	641.470606	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M-2H+K"	36.948606
"463566"	943.731606	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M-2H+K"	36.948606
"840273"	339.209606	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-2H+K"	36.948606
"1560480"	339.209606	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+K-2H"	36.948606
"948364"	347.259194	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-H+HCOOH"	44.998194
"362932"	649.520201	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+HCOOH-H"	44.998201
"346575"	663.535851	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+Hac-H"	59.013851
"1497110"	361.274851	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Hac-H"	59.013851
"967933"	369.241151	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-H+NaCOOH"	66.980151
"123409"	337.230402	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+2Cl"	69.938804
"565648"	488.360902	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+2Cl"	69.938804
"1036989"	186.099902	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2Cl"	69.938804
"1255369"	381.179885	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Br"	78.918885
"1319401"	383.235872	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Cl+HCOOH"	80.974872
"1335504"	405.217829	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Cl+NaCOOH"	102.956829
"926369"	415.246586	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M-H+CF3COOH"	112.985586
"1297975"	451.223264	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Cl+CF3COOH"	148.962264
"1373948"	267.248324	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H-2H2O"	-35.012676
"1396557"	285.2583	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H-H2O"	-17.0027
"296608"	605.529276	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+H"	1.007276
"690121"	907.790276	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+H"	1.007276
"1365739"	303.268276	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H"	1.007276
"139356"	303.268276	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+2H"	2.014552
"577094"	454.398776	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+2H"	2.014552
"1044432"	152.137776	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2H"	2.014552
"213427"	202.514609333333	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+3H"	3.021828
"657363"	303.268276	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+3H"	3.021828
"1168929"	101.760942666667	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+3H"	3.021828
"432200"	622.555823	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+NH4"	18.033823
"796478"	924.816823	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+NH4"	18.033823
"1692808"	320.294823	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+NH4"	18.033823
"338899"	311.7815495	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+H+NH4"	19.041099
"732418"	462.9120495	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+H+NH4"	19.041099
"1489522"	160.6510495	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H+NH4"	19.041099
"406016"	627.511218	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+Na"	22.989218
"768107"	929.772218	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+Na"	22.989218
"1616204"	325.250218	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Na"	22.989218
"325147"	314.259247	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+H+Na"	23.996494
"715381"	465.389747	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+H+Na"	23.996494
"1476617"	163.128747	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H+Na"	23.996494
"1065371"	109.088256666667	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2H+Na"	25.00377
"1271541"	335.294486	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+CH3OH+H"	33.033486
"388170"	643.485158	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+K"	38.963158
"751355"	945.746158	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+K"	38.963158
"1546850"	341.224158	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+K"	38.963158
"307306"	322.246217	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+H+K"	39.970434
"699725"	473.376717	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+H+K"	39.970434
"1451358"	171.115717	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H+K"	39.970434
"241052"	646.555826	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+ACN+H"	42.033826
"1215952"	344.294826	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+ACN+H"	42.033826
"1204208"	172.651051	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+ACN+2H"	43.041102
"195986"	649.49316	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+2Na-H"	44.97116
"637737"	951.75416	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+2Na-H"	44.97116
"1143433"	347.23216	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2Na-H"	44.97116
"184538"	325.250218	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+2Na"	45.978436
"621912"	476.380718	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+2Na"	45.978436
"1119951"	174.119718	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2Na"	45.978436
"1401286"	116.415570666667	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H+2Na"	46.985712
"1435590"	349.273746	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H+HCOOH"	47.012746
"229659"	330.28324	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+3H2O+2H"	56.04448
"1515533"	363.32579	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+IsoProp+H"	61.06479
"420687"	333.237188	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+Na+K"	61.952376
"780963"	484.367688	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+Na+K"	61.952376
"1671461"	182.106688	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Na+K"	61.952376
"257979"	668.537768	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+ACN+Na"	64.015768
"1229593"	366.276768	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+ACN+Na"	64.015768
"1714830"	366.300293	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+NH4+HCOOH"	64.039293
"1182740"	123.742884666667	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+3Na"	68.967654
"1657006"	371.255688	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Na+HCOOH"	68.994688
"159491"	681.44104	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+2K-H"	76.91904
"601241"	983.70204	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+2K-H"	76.91904
"1085506"	379.18004	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2K-H"	76.91904
"144024"	341.224158	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"2M+2K"	77.926316
"584314"	492.354658	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"3M+2K"	77.926316
"1072108"	190.093658	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2K"	77.926316
"1102400"	381.194592	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2K+H"	78.933592
"1340609"	381.282207	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+DMSO+H"	79.021207
"1010232"	385.321376	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2ACN+H"	83.060376
"1529450"	386.315008	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+IsoProp+Na+H"	84.054008
"994805"	193.164326	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+2ACN+2H"	84.067652
"1592589"	387.229628	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+K+HCOOH"	84.968628
"1416062"	417.261138	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+H+CF3COOH"	115.000138
"1154010"	213.677601	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+3ACN+2H"	125.094202
"1702468"	434.287685	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+NH4+CF3COOH"	132.026685
"1638119"	439.24308	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+Na+CF3COOH"	136.98208
"1582518"	455.21702	"C00891"	"Pregnan-21-al"	"C21H34O"	"302.261"	"M+K+CF3COOH"	152.95602
"808510"	304.2766	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M"	0
"979855"	285.25821	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-H2O-H"	-19.01839
"73566"	201.843790666667	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M-3H"	-3.021828
"512036"	303.269324	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M-3H"	-3.021828
"892024"	100.418257333333	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-3H"	-3.021828
"9505"	303.269324	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M-2H"	-2.014552
"450159"	455.407624	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M-2H"	-2.014552
"827962"	151.131024	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-2H"	-2.014552
"83580"	607.545924	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M-H"	-1.007276
"521680"	911.822524	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M-H"	-1.007276
"905317"	303.269324	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-H"	-1.007276
"62247"	624.572471	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M-2H+NH4"	16.019271
"501440"	928.849071	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M-2H+NH4"	16.019271
"879369"	320.295871	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-2H+NH4"	16.019271
"46051"	629.527866	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M-2H+Na"	20.974666
"484518"	933.804466	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M-2H+Na"	20.974666
"859041"	325.251266	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-2H+Na"	20.974666
"1623113"	325.251266	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Na-2H"	20.974666
"105109"	321.257663	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M-H+Cl"	33.962126
"549778"	473.395963	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M-H+Cl"	33.962126
"941464"	169.119363	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-H+Cl"	33.962126
"280749"	643.522602	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+Cl"	34.969402
"674386"	947.799202	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+Cl"	34.969402
"1281562"	339.246002	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Cl"	34.969402
"19743"	645.501806	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M-2H+K"	36.948606
"463676"	949.778406	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M-2H+K"	36.948606
"836010"	341.225206	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-2H+K"	36.948606
"1559498"	341.225206	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+K-2H"	36.948606
"945194"	349.274794	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-H+HCOOH"	44.998194
"362801"	653.551401	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+HCOOH-H"	44.998201
"345741"	667.567051	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+Hac-H"	59.013851
"1497220"	363.290451	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Hac-H"	59.013851
"966950"	371.256751	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-H+NaCOOH"	66.980151
"122062"	339.246002	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+2Cl"	69.938804
"564672"	491.384302	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+2Cl"	69.938804
"1036145"	187.107702	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2Cl"	69.938804
"1256984"	383.195485	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Br"	78.918885
"1319634"	385.251472	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Cl+HCOOH"	80.974872
"1335524"	407.233429	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Cl+NaCOOH"	102.956829
"922470"	417.262186	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M-H+CF3COOH"	112.985586
"1299177"	453.238864	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Cl+CF3COOH"	148.962264
"1376243"	269.263924	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H-2H2O"	-35.012676
"1389366"	287.2739	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H-H2O"	-17.0027
"295257"	609.560476	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+H"	1.007276
"688407"	913.837076	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+H"	1.007276
"1363297"	305.283876	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H"	1.007276
"134727"	305.283876	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+2H"	2.014552
"572464"	457.422176	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+2H"	2.014552
"1042355"	153.145576	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2H"	2.014552
"210257"	203.858342666667	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+3H"	3.021828
"656016"	305.283876	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+3H"	3.021828
"1172319"	102.432809333333	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+3H"	3.021828
"432310"	626.587023	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+NH4"	18.033823
"795495"	930.863623	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+NH4"	18.033823
"1691461"	322.310423	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+NH4"	18.033823
"340102"	313.7971495	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+H+NH4"	19.041099
"732528"	465.9354495	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+H+NH4"	19.041099
"1488539"	161.6588495	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H+NH4"	19.041099
"403937"	631.542418	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+Na"	22.989218
"767851"	935.819018	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+Na"	22.989218
"1616314"	327.265818	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Na"	22.989218
"317602"	316.274847	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+H+Na"	23.996494
"715491"	468.413147	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+H+Na"	23.996494
"1476854"	164.136547	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H+Na"	23.996494
"1068453"	109.760123333333	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2H+Na"	25.00377
"1268612"	337.310086	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+CH3OH+H"	33.033486
"388280"	647.516358	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+K"	38.963158
"750371"	951.792958	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+K"	38.963158
"1549147"	343.239758	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+K"	38.963158
"310695"	324.261817	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+H+K"	39.970434
"698742"	476.400117	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+H+K"	39.970434
"1453655"	172.123517	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H+K"	39.970434
"241163"	650.587026	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+ACN+H"	42.033826
"1216062"	346.310426	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+ACN+H"	42.033826
"1203225"	173.658851	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+ACN+2H"	43.041102
"196096"	653.52436	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+2Na-H"	44.97116
"638940"	957.80096	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+2Na-H"	44.97116
"1144638"	349.24776	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2Na-H"	44.97116
"183555"	327.265818	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+2Na"	45.978436
"623116"	479.404118	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+2Na"	45.978436
"1120061"	175.127518	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2Na"	45.978436
"1403583"	117.087437333333	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H+2Na"	46.985712
"1435700"	351.289346	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H+HCOOH"	47.012746
"226489"	332.29884	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+3H2O+2H"	56.04448
"1521110"	365.34139	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+IsoProp+H"	61.06479
"422256"	335.252788	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+Na+K"	61.952376
"781437"	487.391088	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+Na+K"	61.952376
"1673758"	183.114488	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Na+K"	61.952376
"259182"	672.568968	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+ACN+Na"	64.015768
"1229702"	368.292368	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+ACN+Na"	64.015768
"1717490"	368.315893	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+NH4+HCOOH"	64.039293
"1185038"	124.414751333333	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+3Na"	68.967654
"1656023"	373.271288	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Na+HCOOH"	68.994688
"161787"	685.47224	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+2K-H"	76.91904
"601349"	989.74884	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+2K-H"	76.91904
"1087319"	381.19564	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2K-H"	76.91904
"144860"	343.239758	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"2M+2K"	77.926316
"584059"	495.378058	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"3M+2K"	77.926316
"1073311"	191.101458	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2K"	77.926316
"1104332"	383.210192	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2K+H"	78.933592
"1342905"	383.297807	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+DMSO+H"	79.021207
"1008518"	387.336976	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2ACN+H"	83.060376
"1529560"	388.330608	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+IsoProp+Na+H"	84.054008
"996008"	194.172126	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+2ACN+2H"	84.067652
"1593792"	389.245228	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+K+HCOOH"	84.968628
"1416172"	419.276738	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+H+CF3COOH"	115.000138
"1157400"	214.685401	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+3ACN+2H"	125.094202
"1703672"	436.303285	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+NH4+CF3COOH"	132.026685
"1638229"	441.25868	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+Na+CF3COOH"	136.98208
"1582628"	457.23262	"C00892"	"Pregnan-21-ol;5-beta-Pregnan-21-ol"	"C21H36O"	"304.2766"	"M+K+CF3COOH"	152.95602
"814818"	821.1258	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M"	0
"986527"	802.10741	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-H2O-H"	-19.01839
"66020"	546.409924	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M-3H"	-3.021828
"507767"	820.118524	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M-3H"	-3.021828
"884477"	272.701324	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-3H"	-3.021828
"8521"	820.118524	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M-2H"	-2.014552
"449173"	1230.681424	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M-2H"	-2.014552
"824792"	409.555624	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-2H"	-2.014552
"83690"	1641.244324	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M-H"	-1.007276
"530907"	2462.370124	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M-H"	-1.007276
"905429"	820.118524	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-H"	-1.007276
"58710"	1658.270871	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M-2H+NH4"	16.019271
"498270"	2479.396671	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M-2H+NH4"	16.019271
"869511"	837.145071	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-2H+NH4"	16.019271
"41787"	1663.226266	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M-2H+Na"	20.974666
"484630"	2484.352066	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M-2H+Na"	20.974666
"858063"	842.100466	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-2H+Na"	20.974666
"1631969"	842.100466	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Na-2H"	20.974666
"109760"	838.106863	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M-H+Cl"	33.962126
"545872"	1248.669763	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M-H+Cl"	33.962126
"937201"	427.543963	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-H+Cl"	33.962126
"273570"	1677.221002	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+Cl"	34.969402
"669272"	2498.346802	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+Cl"	34.969402
"1277299"	856.095202	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Cl"	34.969402
"22041"	1679.200206	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M-2H+K"	36.948606
"459414"	2500.326006	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M-2H+K"	36.948606
"837214"	858.074406	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-2H+K"	36.948606
"1558517"	858.074406	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+K-2H"	36.948606
"944576"	866.123994	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-H+HCOOH"	44.998194
"362427"	1687.249801	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+HCOOH-H"	44.998201
"346795"	1701.265451	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+Hac-H"	59.013851
"1500611"	880.139651	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Hac-H"	59.013851
"974009"	888.105951	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-H+NaCOOH"	66.980151
"125550"	856.095202	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+2Cl"	69.938804
"564782"	1266.658102	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+2Cl"	69.938804
"1036733"	445.532302	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2Cl"	69.938804
"1255948"	900.044685	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Br"	78.918885
"1319662"	902.100672	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Cl+HCOOH"	80.974872
"1334074"	924.082629	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Cl+NaCOOH"	102.956829
"919298"	934.111386	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M-H+CF3COOH"	112.985586
"1294913"	970.088064	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Cl+CF3COOH"	148.962264
"1374168"	786.113124	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H-2H2O"	-35.012676
"1389480"	804.1231	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H-H2O"	-17.0027
"292086"	1643.258876	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+H"	1.007276
"686330"	2464.384676	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+H"	1.007276
"1360491"	822.133076	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H"	1.007276
"133014"	822.133076	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+2H"	2.014552
"574398"	1232.695976	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+2H"	2.014552
"1041738"	411.570176	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2H"	2.014552
"211464"	548.424476	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+3H"	3.021828
"651025"	822.133076	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+3H"	3.021828
"1168056"	274.715876	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+3H"	3.021828
"430236"	1660.285423	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+NH4"	18.033823
"792324"	2481.411223	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+NH4"	18.033823
"1689750"	839.159623	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+NH4"	18.033823
"342771"	830.6463495	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+H+NH4"	19.041099
"735923"	1241.2092495	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+H+NH4"	19.041099
"1490835"	420.0834495	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H+NH4"	19.041099
"406602"	1665.240818	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+Na"	22.989218
"762858"	2486.366618	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+Na"	22.989218
"1610956"	844.115018	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Na"	22.989218
"325368"	833.124047	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+H+Na"	23.996494
"721076"	1243.686947	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+H+Na"	23.996494
"1474532"	422.561147	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H+Na"	23.996494
"1066683"	282.04319	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2H+Na"	25.00377
"1270911"	854.159286	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+CH3OH+H"	33.033486
"389486"	1681.214758	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+K"	38.963158
"749391"	2502.340558	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+K"	38.963158
"1548162"	860.088958	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+K"	38.963158
"303150"	841.111017	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+H+K"	39.970434
"697759"	1251.673917	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+H+K"	39.970434
"1450485"	430.548117	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H+K"	39.970434
"242372"	1684.285426	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+ACN+H"	42.033826
"1213256"	863.159626	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+ACN+H"	42.033826
"1202244"	432.083451	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+ACN+2H"	43.041102
"198398"	1687.22276	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+2Na-H"	44.97116
"637958"	2508.34856	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+2Na-H"	44.97116
"1139280"	866.09696	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2Na-H"	44.97116
"176374"	844.115018	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+2Na"	45.978436
"625045"	1254.677918	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+2Na"	45.978436
"1125636"	433.552118	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2Na"	45.978436
"1409159"	289.370504	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H+2Na"	46.985712
"1443097"	868.138546	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H+HCOOH"	47.012746
"232792"	849.14804	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+3H2O+2H"	56.04448
"1521221"	882.19059	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+IsoProp+H"	61.06479
"419826"	852.101988	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+Na+K"	61.952376
"778631"	1262.664888	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+Na+K"	61.952376
"1671680"	441.539088	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Na+K"	61.952376
"257104"	1706.267368	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+ACN+Na"	64.015768
"1229812"	885.141568	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+ACN+Na"	64.015768
"1715420"	885.165093	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+NH4+HCOOH"	64.039293
"1184052"	296.697818	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+3Na"	68.967654
"1653944"	890.120488	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Na+HCOOH"	68.994688
"159832"	1719.17064	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+2K-H"	76.91904
"604741"	2540.29644	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+2K-H"	76.91904
"1089252"	898.04484	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2K-H"	76.91904
"144241"	860.088958	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"2M+2K"	77.926316
"584896"	1270.651858	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"3M+2K"	77.926316
"1071230"	449.526058	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2K"	77.926316
"1102255"	900.059392	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2K+H"	78.933592
"1341916"	900.147007	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+DMSO+H"	79.021207
"1007167"	904.186176	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2ACN+H"	83.060376
"1527483"	905.179808	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+IsoProp+Na+H"	84.054008
"991012"	452.596726	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+2ACN+2H"	84.067652
"1589162"	906.094428	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+K+HCOOH"	84.968628
"1422850"	936.125938	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+H+CF3COOH"	115.000138
"1155326"	473.110001	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+3ACN+2H"	125.094202
"1701595"	953.152485	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+NH4+CF3COOH"	132.026685
"1647088"	958.10788	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+Na+CF3COOH"	136.98208
"1582739"	974.08182	"C00894"	"Propenoyl-CoA;Acryloyl-CoA;Acrylyl-CoA"	"C24H38N7O17P3S"	"821.1258"	"M+K+CF3COOH"	152.95602
"809825"	332.0961	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M"	0
"976798"	313.07771	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-H2O-H"	-19.01839
"63046"	220.390124	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M-3H"	-3.021828
"503868"	331.088824	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M-3H"	-3.021828
"881306"	109.691424	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-3H"	-3.021828
"3162"	331.088824	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M-2H"	-2.014552
"441755"	497.136874	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M-2H"	-2.014552
"822717"	165.040774	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-2H"	-2.014552
"91458"	663.184924	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M-H"	-1.007276
"531749"	995.281024	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M-H"	-1.007276
"909309"	331.088824	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-H"	-1.007276
"61862"	680.211471	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M-2H+NH4"	16.019271
"498380"	1012.307571	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M-2H+NH4"	16.019271
"871810"	348.115371	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-2H+NH4"	16.019271
"42993"	685.166866	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M-2H+Na"	20.974666
"477092"	1017.262966	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M-2H+Na"	20.974666
"849426"	353.070766	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-2H+Na"	20.974666
"1630986"	353.070766	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Na-2H"	20.974666
"107514"	349.077163	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M-H+Cl"	33.962126
"545982"	515.125213	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M-H+Cl"	33.962126
"941684"	183.029113	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-H+Cl"	33.962126
"273679"	699.161602	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+Cl"	34.969402
"670472"	1031.257702	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+Cl"	34.969402
"1278500"	367.065502	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Cl"	34.969402
"25431"	701.140806	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M-2H+K"	36.948606
"458430"	1033.236906	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M-2H+K"	36.948606
"834166"	369.044706	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-2H+K"	36.948606
"1557535"	369.044706	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+K-2H"	36.948606
"945417"	377.094294	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-H+HCOOH"	44.998194
"364726"	709.190401	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+HCOOH-H"	44.998201
"346421"	723.206051	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+Hac-H"	59.013851
"1507905"	391.109951	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Hac-H"	59.013851
"972778"	399.076251	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-H+NaCOOH"	66.980151
"125582"	367.065502	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+2Cl"	69.938804
"565589"	533.113552	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+2Cl"	69.938804
"1037046"	201.017452	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2Cl"	69.938804
"1256075"	411.014985	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Br"	78.918885
"1318146"	413.070972	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Cl+HCOOH"	80.974872
"1326160"	435.052929	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Cl+NaCOOH"	102.956829
"919408"	445.081686	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M-H+CF3COOH"	112.985586
"1295024"	481.058364	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Cl+CF3COOH"	148.962264
"1373184"	297.083424	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H-2H2O"	-35.012676
"1394696"	315.0934	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H-H2O"	-17.0027
"290371"	665.199476	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+H"	1.007276
"686075"	997.295576	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+H"	1.007276
"1361329"	333.103376	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H"	1.007276
"128750"	333.103376	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+2H"	2.014552
"572686"	499.151426	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+2H"	2.014552
"1051332"	167.055326	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2H"	2.014552
"210482"	222.404676	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+3H"	3.021828
"654417"	333.103376	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+3H"	3.021828
"1175095"	111.705976	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+3H"	3.021828
"428159"	682.226023	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+NH4"	18.033823
"790247"	1014.322123	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+NH4"	18.033823
"1692054"	350.129923	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+NH4"	18.033823
"339239"	341.6166495	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+H+NH4"	19.041099
"732752"	507.6646995	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+H+NH4"	19.041099
"1491557"	175.5685995	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H+NH4"	19.041099
"407687"	687.181418	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+Na"	22.989218
"764062"	1019.277518	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+Na"	22.989218
"1611066"	355.085318	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Na"	22.989218
"326579"	344.094347	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+H+Na"	23.996494
"719000"	510.142397	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+H+Na"	23.996494
"1473914"	178.046297	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H+Na"	23.996494
"1058045"	119.03329	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2H+Na"	25.00377
"1266650"	365.129586	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+CH3OH+H"	33.033486
"380849"	703.155358	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+K"	38.963158
"746220"	1035.251458	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+K"	38.963158
"1550460"	371.059258	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+K"	38.963158
"306543"	352.081317	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+H+K"	39.970434
"694588"	518.129367	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+H+K"	39.970434
"1449507"	186.033267	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H+K"	39.970434
"240296"	706.226026	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+ACN+H"	42.033826
"1217380"	374.129926	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+ACN+H"	42.033826
"1200173"	187.568601	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+ACN+2H"	43.041102
"196322"	709.16336	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+2Na-H"	44.97116
"636982"	1041.25946	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+2Na-H"	44.97116
"1143037"	377.06726	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2Na-H"	44.97116
"176119"	355.085318	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+2Na"	45.978436
"623336"	521.133368	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+2Na"	45.978436
"1121009"	189.037268	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2Na"	45.978436
"1403438"	126.360604	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H+2Na"	46.985712
"1435919"	379.108846	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H+HCOOH"	47.012746
"226710"	360.11834	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+3H2O+2H"	56.04448
"1518792"	393.16089	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+IsoProp+H"	61.06479
"421759"	363.072288	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+Na+K"	61.952376
"780928"	529.120338	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+Na+K"	61.952376
"1671791"	197.024238	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Na+K"	61.952376
"261590"	728.207968	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+ACN+Na"	64.015768
"1234299"	396.111868	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+ACN+Na"	64.015768
"1715529"	396.135393	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+NH4+HCOOH"	64.039293
"1185260"	133.687918	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+3Na"	68.967654
"1654058"	401.090788	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Na+HCOOH"	68.994688
"168574"	741.11124	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+2K-H"	76.91904
"601571"	1073.20734	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+2K-H"	76.91904
"1088269"	409.01514	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2K-H"	76.91904
"143257"	371.059258	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"2M+2K"	77.926316
"584640"	537.107308	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"3M+2K"	77.926316
"1071707"	205.011208	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2K"	77.926316
"1101028"	411.029692	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2K+H"	78.933592
"1338386"	411.117307	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+DMSO+H"	79.021207
"1012753"	415.156476	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2ACN+H"	83.060376
"1529783"	416.150108	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+IsoProp+Na+H"	84.054008
"995139"	208.081876	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+2ACN+2H"	84.067652
"1596209"	417.064728	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+K+HCOOH"	84.968628
"1428430"	447.096238	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+H+CF3COOH"	115.000138
"1155437"	228.595151	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+3ACN+2H"	125.094202
"1707175"	464.122785	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+NH4+CF3COOH"	132.026685
"1640639"	469.07818	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+Na+CF3COOH"	136.98208
"1579570"	485.05212	"C00896"	"Tos-Lys-CH2Cl"	"C14H21ClN2O3S"	"332.0961"	"M+K+CF3COOH"	152.95602
"802277"	342.1162	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M"	0
"976908"	323.09781	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"64781"	227.070190666667	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"506894"	341.108924	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"885790"	113.031457333333	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"6551"	341.108924	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443930"	512.167024	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"821734"	170.050824	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"91569"	683.225124	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"532101"	1025.341324	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"910273"	341.108924	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"61972"	700.251671	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"498490"	1042.367871	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"877266"	358.135471	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"45047"	705.207066	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"473922"	1047.323266	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"851723"	363.090866	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1627816"	363.090866	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"104345"	359.097263	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"541718"	530.155363	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"938513"	188.039163	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"280961"	719.201802	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"670582"	1061.318002	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1279704"	377.085602	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"24448"	721.181006	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"458540"	1063.297206	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"834276"	379.064806	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1558735"	379.064806	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"944434"	387.114394	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"365929"	729.230601	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"348717"	743.246251	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1506314"	401.130051	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"972766"	409.096351	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"125636"	377.085602	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"564513"	548.143702	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1036117"	206.027502	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1256784"	421.035085	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1318621"	423.091072	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1327365"	445.073029	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"919518"	455.101786	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1292216"	491.078464	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1373294"	307.103524	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1394806"	325.1135	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"290481"	685.239676	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"686914"	1027.355876	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1360711"	343.123476	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"127767"	343.123476	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"572796"	514.181576	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1051805"	172.065376	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"209498"	229.084742666667	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"655986"	343.123476	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1175935"	115.046009333333	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"431549"	702.266223	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"789264"	1044.382423	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1694351"	360.150023	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"339349"	351.6367495	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"735049"	522.6948495	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1491670"	180.5786495	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"408041"	707.221618	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"768182"	1049.337818	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1611176"	365.105418	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"328752"	354.114447	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"721662"	525.172547	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1475115"	183.056347	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1057427"	122.373323333333	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1267855"	375.149686	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"383147"	723.195558	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"748517"	1065.311758	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1549477"	381.079358	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"308475"	362.101417	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"696885"	533.159517	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1451803"	191.043317	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"242593"	726.266226	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1219675"	384.150026	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1203561"	192.578651	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"198619"	729.20356	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"638185"	1071.31976	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1141325"	387.08736	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"175865"	365.105418	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"622353"	536.163518	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1123672"	194.047318	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1403914"	129.700637333333	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1439309"	389.128946	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"229736"	370.13844	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1518172"	403.18099	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"420774"	373.092388	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"782131"	544.150488	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1671901"	202.034288	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"259513"	748.248168	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1232222"	406.131968	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1717826"	406.155493	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1184277"	137.027951333333	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1654168"	411.110888	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"166498"	761.15144	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"601681"	1103.26764	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1087286"	419.03524	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"145556"	381.079358	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"584389"	552.137458	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1071818"	210.021258	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1102840"	421.049792	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1338131"	421.137407	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1007760"	425.176576	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1526610"	426.170208	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"994154"	213.091926	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1597412"	427.084828	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1423073"	457.116338	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1155547"	233.605201	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1708379"	474.142885	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1640749"	479.09828	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1579680"	495.07222	"C00897"	"alpha-Maltose;alpha-Malt sugar"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"803483"	150.0164	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M"	0
"980297"	130.99801	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H2O-H"	-19.01839
"66350"	99.0036573333333	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-3H"	-3.021828
"505909"	149.009124	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-3H"	-3.021828
"886993"	48.9981906666667	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-3H"	-3.021828
"8849"	149.009124	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H"	-2.014552
"448413"	224.017324	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H"	-2.014552
"825123"	74.000924	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H"	-2.014552
"93744"	299.025524	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-H"	-1.007276
"532211"	449.041924	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-H"	-1.007276
"910871"	149.009124	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H"	-1.007276
"62613"	316.052071	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H+NH4"	16.019271
"500786"	466.068471	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H+NH4"	16.019271
"879079"	166.035671	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H+NH4"	16.019271
"46250"	321.007466	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H+Na"	20.974666
"474032"	471.023866	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H+Na"	20.974666
"851833"	170.991066	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H+Na"	20.974666
"1631206"	170.991066	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na-2H"	20.974666
"108464"	166.997463	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-H+Cl"	33.962126
"545108"	242.005663	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-H+Cl"	33.962126
"939716"	91.989263	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+Cl"	33.962126
"280098"	335.002202	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Cl"	34.969402
"670692"	485.018602	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+Cl"	34.969402
"1278721"	184.985802	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl"	34.969402
"21278"	336.981406	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H+K"	36.948606
"460835"	486.997806	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H+K"	36.948606
"838639"	186.965006	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H+K"	36.948606
"1558846"	186.965006	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K-2H"	36.948606
"946729"	195.014594	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+HCOOH"	44.998194
"366038"	345.031001	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+HCOOH-H"	44.998201
"349921"	359.046651	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Hac-H"	59.013851
"1506787"	209.030251	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Hac-H"	59.013851
"972148"	216.996551	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+NaCOOH"	66.980151
"124827"	184.985802	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2Cl"	69.938804
"564259"	259.994002	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2Cl"	69.938804
"1036834"	109.977602	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2Cl"	69.938804
"1256609"	228.935285	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Br"	78.918885
"1319301"	230.991272	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl+HCOOH"	80.974872
"1326381"	252.973229	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl+NaCOOH"	102.956829
"918534"	263.001986	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+CF3COOH"	112.985586
"1293056"	298.978664	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl+CF3COOH"	148.962264
"1373405"	115.003724	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H-2H2O"	-35.012676
"1395645"	133.0137	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H-H2O"	-17.0027
"288404"	301.040076	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H"	1.007276
"685930"	451.056476	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H"	1.007276
"1357905"	151.023676	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H"	1.007276
"128970"	151.023676	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2H"	2.014552
"570719"	226.031876	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2H"	2.014552
"1044987"	76.015476	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2H"	2.014552
"211794"	101.018209333333	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+3H"	3.021828
"656096"	151.023676	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+3H"	3.021828
"1173129"	51.0127426666667	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+3H"	3.021828
"430566"	318.066623	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+NH4"	18.033823
"789374"	468.083023	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+NH4"	18.033823
"1696944"	168.050223	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+NH4"	18.033823
"337271"	159.5369495	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H+NH4"	19.041099
"732972"	234.5451495	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H+NH4"	19.041099
"1492426"	84.5287495	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+NH4"	19.041099
"406203"	323.022018	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Na"	22.989218
"766469"	473.038418	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+Na"	22.989218
"1609099"	173.005618	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na"	22.989218
"328988"	162.014647	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H+Na"	23.996494
"721892"	237.022847	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H+Na"	23.996494
"1474131"	87.006447	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+Na"	23.996494
"1061911"	58.3400566666667	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2H+Na"	25.00377
"1269058"	183.049886	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+CH3OH+H"	33.033486
"384349"	338.995958	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+K"	38.963158
"745345"	489.012358	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+K"	38.963158
"1549585"	188.979558	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K"	38.963158
"310041"	170.001617	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H+K"	39.970434
"698089"	245.009817	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H+K"	39.970434
"1455192"	94.993417	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+K"	39.970434
"242704"	342.066626	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+ACN+H"	42.033826
"1215410"	192.050226	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+ACN+H"	42.033826
"1204763"	96.528751	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+ACN+2H"	43.041102
"197633"	345.00396	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2Na-H"	44.97116
"641211"	495.02036	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2Na-H"	44.97116
"1141800"	194.98756	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2Na-H"	44.97116
"178161"	173.005618	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2Na"	45.978436
"624650"	248.013818	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2Na"	45.978436
"1128156"	97.997418	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2Na"	45.978436
"1404752"	65.6673706666667	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+2Na"	46.985712
"1434680"	197.029146	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+HCOOH"	47.012746
"229846"	178.03864	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+3H2O+2H"	56.04448
"1518282"	211.08119	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+IsoProp+H"	61.06479
"419061"	180.992588	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Na+K"	61.952376
"778961"	256.000788	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+Na+K"	61.952376
"1675291"	105.984388	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na+K"	61.952376
"261810"	364.048568	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+ACN+Na"	64.015768
"1231239"	214.032168	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+ACN+Na"	64.015768
"1715750"	214.055693	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+NH4+HCOOH"	64.039293
"1184387"	72.9946846666667	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+3Na"	68.967654
"1655372"	219.011088	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na+HCOOH"	68.994688
"167701"	376.95184	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2K-H"	76.91904
"602884"	526.96824	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2K-H"	76.91904
"1087396"	226.93544	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2K-H"	76.91904
"143482"	188.979558	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2K"	77.926316
"585228"	263.987758	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2K"	77.926316
"1072656"	113.971358	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2K"	77.926316
"1101857"	228.949992	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2K+H"	78.933592
"1338241"	229.037607	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+DMSO+H"	79.021207
"1010784"	233.076776	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2ACN+H"	83.060376
"1527085"	234.070408	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+IsoProp+Na+H"	84.054008
"995357"	117.042026	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2ACN+2H"	84.067652
"1598616"	234.985028	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K+HCOOH"	84.968628
"1424277"	265.016538	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+CF3COOH"	115.000138
"1151283"	137.555301	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+3ACN+2H"	125.094202
"1706302"	282.043085	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+NH4+CF3COOH"	132.026685
"1639765"	286.99848	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na+CF3COOH"	136.98208
"1579790"	302.97242	"C00898"	"(RR)-Tartaric acid;(RR)-Tartrate;L-Tartaric acid;Tartaric acid;Tartrate;23-Dihydroxybutanedioic acid;(2R3R)-Tartaric acid;()-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K+CF3COOH"	152.95602
"801387"	286.2297	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M"	0
"977128"	267.21131	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"64274"	189.812524	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"505291"	285.222424	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"882731"	94.402624	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"6773"	285.222424	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"447430"	428.337274	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"821954"	142.107574	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"92882"	571.452124	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"532321"	857.681824	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"910857"	285.222424	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"62681"	588.478671	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"499803"	874.708371	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"877607"	302.248971	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"44416"	593.434066	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"479608"	879.663766	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"850849"	307.204366	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1629129"	307.204366	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"102377"	303.210763	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"543030"	446.325613	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"938733"	160.095913	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"278384"	607.428802	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"663152"	893.658502	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1275555"	321.199102	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"16650"	609.408006	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"457425"	895.637706	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"834741"	323.178306	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1556775"	323.178306	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"943562"	331.227894	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"366151"	617.457601	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"350035"	631.473251	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1508246"	345.243551	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"973482"	353.209851	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"125547"	321.199102	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"565432"	464.313952	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1036780"	178.084252	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1256894"	365.148585	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1318477"	367.204572	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1331601"	389.186529	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"918649"	399.215286	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1303137"	435.191964	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1380446"	251.217024	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1393569"	269.227	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"293622"	573.466676	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"682033"	859.696376	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1355098"	287.236976	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H"	1.007276
"127989"	287.236976	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"571924"	430.351826	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1049473"	144.122126	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"217009"	191.827076	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"655477"	287.236976	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1175427"	96.417176	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"433959"	590.493223	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"788393"	876.722923	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1695302"	304.263523	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"342484"	295.7502495	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"736362"	438.8650995	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1492009"	152.6353995	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"406313"	595.448618	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"769825"	881.678318	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1613585"	309.218918	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"328366"	298.227947	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"718237"	441.342797	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1473151"	155.113097	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1066034"	103.74449	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1269167"	319.263186	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"388834"	611.422558	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"749831"	897.652258	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1551884"	325.192858	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+K"	38.963158
"307966"	306.214917	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"697105"	449.329767	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1452022"	163.100067	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"241715"	614.493226	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1215520"	328.263526	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1204873"	164.635401	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"196650"	617.43056	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"640592"	903.66026	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1139721"	331.20086	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"178271"	309.218918	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"622574"	452.333768	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1122431"	166.104068	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1405590"	111.071804	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1434790"	333.242446	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"230320"	314.25194	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1522769"	347.29449	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"423181"	317.205888	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"775791"	460.320738	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1678681"	174.091038	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"261920"	636.475168	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1233536"	350.245468	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1716953"	350.268993	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1184497"	118.399118	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1654389"	355.224388	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"166718"	649.37844	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"601901"	935.60814	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1088599"	363.14874	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"144320"	325.192858	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"584243"	468.307708	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1071308"	182.078008	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1102331"	365.163292	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1338715"	365.250907	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1009801"	369.290076	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1526831"	370.283708	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"993279"	185.148676	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1598726"	371.198328	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1424387"	401.229838	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1151393"	205.661951	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1706412"	418.256385	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1639875"	423.21178	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1579900"	439.18572	"C00899"	"11-cis-Retinol"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"801637"	132.0423	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M"	0
"977236"	113.02391	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"68757"	87.020924	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"515971"	131.035024	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"889399"	43.006824	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"6882"	131.035024	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"445354"	197.056174	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"822064"	65.013874	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"83148"	263.077324	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"531459"	395.119624	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"908901"	131.035024	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"59999"	280.103871	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"501008"	412.146171	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"878690"	148.061571	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"42339"	285.059266	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"479718"	417.101566	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"850959"	153.016966	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1629239"	153.016966	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"103580"	149.023363	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"543141"	215.044513	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"939937"	83.002213	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"280683"	299.054002	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"665448"	431.096302	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1278945"	167.011702	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"20406"	301.033206	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"461059"	433.075506	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"838862"	168.990906	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1557977"	168.990906	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"944766"	177.040494	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"364802"	309.082801	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"351238"	323.098451	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1507010"	191.056151	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"973465"	199.022451	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"125168"	167.011702	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"565294"	233.032852	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1036566"	100.990552	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1255780"	210.961185	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1317492"	213.017172	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1330618"	234.999129	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"925322"	245.027886	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1302396"	281.004564	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1382020"	97.029624	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1395867"	115.0396	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"292639"	265.091876	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"686153"	397.134176	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1356303"	133.049576	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"128100"	133.049576	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"572034"	199.070726	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1048127"	67.028426	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"215662"	89.035476	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"656316"	133.049576	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1173714"	45.021376	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"432976"	282.118423	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"785948"	414.160723	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1694678"	150.076123	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"339679"	141.5628495	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"733192"	207.5839995	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1489200"	75.5416995	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"399132"	287.073818	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"757941"	419.116118	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1607132"	155.031518	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"324827"	144.040547	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"718347"	210.061697	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1476178"	78.019397	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1066144"	52.34869	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1270370"	165.075786	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"391131"	303.047758	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"751032"	435.090058	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1550901"	171.005458	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"310262"	152.027517	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"698308"	218.048667	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1449945"	86.006367	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"238545"	306.118426	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1212350"	174.076126	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1195867"	87.541701	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"189468"	309.05576	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"639245"	441.09806	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1141654"	177.01346	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"178016"	155.031518	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"623775"	221.052668	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1123999"	89.010368	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1399866"	59.676004	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1432347"	179.055046	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"229335"	160.06454	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1519595"	193.10709	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"421468"	163.018488	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"781368"	229.039638	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1675510"	96.997338	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"255467"	328.100368	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1232553"	196.058068	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1718156"	196.081593	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1182419"	67.003318	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1651214"	201.036988	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"158070"	341.00364	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"597632"	473.04594	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1086152"	208.96134	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"142238"	171.005458	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"582283"	237.026608	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1068697"	104.984308	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1100494"	210.975892	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1336998"	211.063507	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1008453"	215.102676	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1528034"	216.096308	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"992296"	108.054976	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1599930"	217.010928	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1424497"	247.042438	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1151503"	128.568251	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1706522"	264.068985	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1639985"	269.02438	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1580010"	284.99832	"C00900"	"2-Acetolactate"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"801744"	130.063	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M"	0
"977346"	111.04461	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"72147"	85.7013906666667	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"516081"	129.055724	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"889511"	42.3470573333333	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"10275"	129.055724	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"446558"	194.087224	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"823267"	64.024224	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"83258"	259.118724	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"526100"	389.181724	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"907917"	129.055724	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"59376"	276.145271	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"498566"	406.208271	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"874547"	146.082271	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"44272"	281.100666	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"471558"	411.163666	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"851072"	151.037666	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1621697"	151.037666	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"96038"	147.044063	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"539971"	212.075563	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"936765"	82.012563	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"278602"	295.095402	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"663372"	425.158402	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1277962"	165.032402	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"20516"	297.074606	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"458983"	427.137606	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"842252"	167.011606	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1556993"	167.011606	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"948156"	175.061194	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"365277"	305.124201	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"352441"	319.139851	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1507120"	189.076851	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"973816"	197.043151	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"125683"	165.032402	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"564955"	230.063902	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1034846"	100.000902	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1256860"	208.981885	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1317603"	211.037872	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1323437"	233.019829	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"918869"	243.048586	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1294483"	279.025264	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1380666"	95.050324	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1395977"	113.0603	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"296757"	261.133276	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"689179"	391.196276	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1358603"	131.070276	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H"	1.007276
"129303"	131.070276	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"572144"	196.101776	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1039849"	66.038776	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"213950"	87.7159426666667	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"655697"	131.070276	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1173824"	44.3616093333333	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"429806"	278.159823	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"788613"	408.222823	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1693334"	148.096823	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"340884"	139.5835495	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"736221"	204.6150495	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1488220"	74.5520495	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"403619"	283.115218	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"758051"	413.178218	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1610522"	153.052218	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"329560"	142.061247	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"717365"	207.092747	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1475559"	77.029747	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1067711"	51.6889233333333	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1271331"	163.096486	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"390148"	299.089158	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"750049"	429.152158	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1551740"	169.026158	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+K"	38.963158
"308185"	150.048217	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"698418"	215.079717	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1447868"	85.016717	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"235778"	302.159826	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1214648"	172.096826	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1196344"	86.552051	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"189457"	305.09716	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"639356"	435.16016	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1142129"	175.03416	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"181772"	153.052218	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"623885"	218.083718	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1121923"	88.020718	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1404717"	59.0162373333333	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1433551"	177.075746	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"227258"	158.08524	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1518612"	191.12779	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"419391"	161.039188	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"779292"	226.070688	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1675620"	96.007688	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"255577"	324.141768	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1230475"	194.078768	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1716079"	194.102293	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1178706"	66.3435513333333	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1650960"	199.057688	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"158179"	337.04504	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"597740"	467.10804	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1086992"	206.98204	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"143077"	169.026158	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"584460"	234.057658	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1070434"	103.994658	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1101823"	208.996592	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1338572"	209.084207	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1010021"	213.123376	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1526321"	214.117008	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"993499"	107.065326	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1597852"	215.031628	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1422419"	245.063138	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1151613"	127.578601	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1698977"	262.089685	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1644470"	267.04508	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1580120"	283.01902	"C00902"	"2-Oxohexanoic acid;2-Oxohexanoate;alpha-Ketocaproic acid"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"806110"	132.0575	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M"	0
"980736"	113.03911	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-H2O-H"	-19.01839
"71163"	87.0310573333333	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M-3H"	-3.021828
"514004"	131.050224	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M-3H"	-3.021828
"889620"	43.0118906666667	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-3H"	-3.021828
"13663"	131.050224	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M-2H"	-2.014552
"446662"	197.078974	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M-2H"	-2.014552
"826651"	65.021474	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-2H"	-2.014552
"94143"	263.107724	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M-H"	-1.007276
"524022"	395.165224	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M-H"	-1.007276
"901825"	131.050224	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-H"	-1.007276
"52919"	280.134271	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M-2H+NH4"	16.019271
"492478"	412.191771	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M-2H+NH4"	16.019271
"874657"	148.076771	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-2H+NH4"	16.019271
"44746"	285.089666	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M-2H+Na"	20.974666
"471796"	417.147166	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M-2H+Na"	20.974666
"852275"	153.032166	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-2H+Na"	20.974666
"1621807"	153.032166	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Na-2H"	20.974666
"98334"	149.038563	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M-H+Cl"	33.962126
"543361"	215.067313	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M-H+Cl"	33.962126
"941248"	83.009813	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-H+Cl"	33.962126
"279805"	299.084402	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+Cl"	34.969402
"664575"	431.141902	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+Cl"	34.969402
"1279165"	167.026902	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Cl"	34.969402
"21719"	301.063606	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M-2H+K"	36.948606
"459093"	433.121106	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M-2H+K"	36.948606
"842362"	169.006106	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-2H+K"	36.948606
"1562571"	169.006106	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+K-2H"	36.948606
"948266"	177.055694	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-H+HCOOH"	44.998194
"366480"	309.113201	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+HCOOH-H"	44.998201
"353644"	323.128851	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+Hac-H"	59.013851
"1507965"	191.071351	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Hac-H"	59.013851
"973564"	199.037651	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-H+NaCOOH"	66.980151
"124539"	167.026902	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+2Cl"	69.938804
"564824"	233.055652	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+2Cl"	69.938804
"1034227"	100.998152	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2Cl"	69.938804
"1255269"	210.976385	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Br"	78.918885
"1312610"	213.032372	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Cl+HCOOH"	80.974872
"1323547"	235.014329	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Cl+NaCOOH"	102.956829
"918979"	245.043086	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M-H+CF3COOH"	112.985586
"1293499"	281.019764	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Cl+CF3COOH"	148.962264
"1380411"	97.044824	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H-2H2O"	-35.012676
"1395721"	115.0548	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H-H2O"	-17.0027
"292127"	265.122276	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+H"	1.007276
"685643"	397.179776	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+H"	1.007276
"1358713"	133.064776	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H"	1.007276
"130506"	133.064776	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+2H"	2.014552
"570067"	199.093526	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+2H"	2.014552
"1039959"	67.036026	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2H"	2.014552
"213330"	89.0456093333333	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+3H"	3.021828
"656536"	133.064776	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+3H"	3.021828
"1171018"	45.0264426666667	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+3H"	3.021828
"429916"	282.148823	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+NH4"	18.033823
"786778"	414.206323	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+NH4"	18.033823
"1694900"	150.091323	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+NH4"	18.033823
"342086"	141.5780495	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+H+NH4"	19.041099
"734507"	207.6067995	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+H+NH4"	19.041099
"1489424"	75.5492995	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H+NH4"	19.041099
"405550"	287.104218	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+Na"	22.989218
"757066"	419.161718	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+Na"	22.989218
"1604800"	155.046718	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Na"	22.989218
"327966"	144.055747	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+H+Na"	23.996494
"721848"	210.084497	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+H+Na"	23.996494
"1475184"	78.026997	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H+Na"	23.996494
"1066486"	52.3537566666667	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2H+Na"	25.00377
"1270590"	165.090986	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+CH3OH+H"	33.033486
"389165"	303.078158	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+K"	38.963158
"750159"	435.135658	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+K"	38.963158
"1548935"	171.020658	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+K"	38.963158
"306109"	152.042717	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+H+K"	39.970434
"698528"	218.071467	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+H+K"	39.970434
"1446881"	86.013967	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H+K"	39.970434
"237301"	306.148826	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+ACN+H"	42.033826
"1211103"	174.091326	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+ACN+H"	42.033826
"1196085"	87.549301	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+ACN+2H"	43.041102
"189567"	309.08616	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+2Na-H"	44.97116
"638733"	441.14366	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+2Na-H"	44.97116
"1135677"	177.02866	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2Na-H"	44.97116
"179695"	155.046718	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+2Na"	45.978436
"618163"	221.075468	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+2Na"	45.978436
"1123855"	89.017968	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2Na"	45.978436
"1403004"	59.6810706666667	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H+2Na"	46.985712
"1433661"	179.070246	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H+HCOOH"	47.012746
"227368"	160.07974	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+3H2O+2H"	56.04448
"1518722"	193.12229	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+IsoProp+H"	61.06479
"420594"	163.033688	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+Na+K"	61.952376
"779402"	229.062438	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+Na+K"	61.952376
"1676823"	97.004938	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Na+K"	61.952376
"255687"	328.130768	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+ACN+Na"	64.015768
"1231678"	196.073268	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+ACN+Na"	64.015768
"1717282"	196.096793	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+NH4+HCOOH"	64.039293
"1178659"	67.0083846666667	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+3Na"	68.967654
"1651070"	201.052188	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Na+HCOOH"	68.994688
"158290"	341.03404	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+2K-H"	76.91904
"597849"	473.09154	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+2K-H"	76.91904
"1085644"	208.97654	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2K-H"	76.91904
"145739"	171.020658	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"2M+2K"	77.926316
"583843"	237.049408	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"3M+2K"	77.926316
"1069812"	104.991908	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2K"	77.926316
"1102297"	210.991092	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2K+H"	78.933592
"1338315"	211.078707	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+DMSO+H"	79.021207
"1010130"	215.117876	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2ACN+H"	83.060376
"1526431"	216.111508	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+IsoProp+Na+H"	84.054008
"993609"	108.062576	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+2ACN+2H"	84.067652
"1595775"	217.026128	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+K+HCOOH"	84.968628
"1421436"	247.057638	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+H+CF3COOH"	115.000138
"1152816"	128.575851	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+3ACN+2H"	125.094202
"1699087"	264.084185	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+NH4+CF3COOH"	132.026685
"1644580"	269.03958	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+Na+CF3COOH"	136.98208
"1580230"	285.01352	"C00903"	"Cinnamaldehyde"	"C9H8O"	"132.0575"	"M+K+CF3COOH"	152.95602
"804034"	897.1418	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M"	0
"978659"	878.12341	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H2O-H"	-19.01839
"70180"	597.087257333333	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-3H"	-3.021828
"515207"	896.134524	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-3H"	-3.021828
"891917"	298.039990666667	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-3H"	-3.021828
"9398"	896.134524	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H"	-2.014552
"445680"	1344.705424	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H"	-2.014552
"824575"	447.563624	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H"	-2.014552
"92831"	1793.276324	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H"	-1.007276
"525225"	2690.418124	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H"	-1.007276
"901935"	896.134524	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H"	-1.007276
"54122"	1810.302871	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+NH4"	16.019271
"492588"	2707.444671	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+NH4"	16.019271
"873674"	913.161071	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+NH4"	16.019271
"44856"	1815.258266	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+Na"	20.974666
"477864"	2712.400066	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+Na"	20.974666
"856760"	918.116466	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+Na"	20.974666
"1628480"	918.116466	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na-2H"	20.974666
"105005"	914.122863	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H+Cl"	33.962126
"547845"	1362.693763	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H+Cl"	33.962126
"941359"	465.551963	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+Cl"	33.962126
"278822"	1829.253002	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Cl"	34.969402
"662498"	2726.394802	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Cl"	34.969402
"1275993"	932.111202	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl"	34.969402
"19642"	1831.232206	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+K"	36.948606
"460293"	2728.374006	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+K"	36.948606
"842472"	934.090406	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+K"	36.948606
"1562681"	934.090406	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K-2H"	36.948606
"951657"	942.139994	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+HCOOH"	44.998194
"368777"	1839.281801	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+HCOOH-H"	44.998201
"355941"	1853.297451	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Hac-H"	59.013851
"1507345"	956.155651	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Hac-H"	59.013851
"974039"	964.121951	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+NaCOOH"	66.980151
"124885"	932.111202	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Cl"	69.938804
"565175"	1380.682102	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Cl"	69.938804
"1036523"	483.540302	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Cl"	69.938804
"1256108"	976.060685	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Br"	78.918885
"1319649"	978.116672	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+HCOOH"	80.974872
"1333135"	1000.098629	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+NaCOOH"	102.956829
"925288"	1010.127386	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+CF3COOH"	112.985586
"1300171"	1046.104064	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+CF3COOH"	148.962264
"1379428"	862.129124	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-2H2O"	-35.012676
"1396924"	880.1391	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-H2O"	-17.0027
"298074"	1795.290876	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H"	1.007276
"687940"	2692.432676	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H"	1.007276
"1358823"	898.149076	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H"	1.007276
"130616"	898.149076	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2H"	2.014552
"570177"	1346.719976	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2H"	2.014552
"1045537"	449.578176	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H"	2.014552
"214533"	599.101809333333	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H"	3.021828
"651907"	898.149076	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+3H"	3.021828
"1167847"	300.054542666667	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3H"	3.021828
"426745"	1812.317423	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+NH4"	18.033823
"786279"	2709.459223	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+NH4"	18.033823
"1695739"	915.175623	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4"	18.033823
"341834"	906.6623495	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+NH4"	19.041099
"735710"	1355.2332495	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+NH4"	19.041099
"1492452"	458.0914495	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+NH4"	19.041099
"407726"	1817.272818	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na"	22.989218
"756812"	2714.414618	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na"	22.989218
"1604910"	920.131018	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na"	22.989218
"327710"	909.140047	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+Na"	23.996494
"722773"	1357.710947	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+Na"	23.996494
"1474681"	460.569147	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+Na"	23.996494
"1060272"	307.381856666667	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H+Na"	25.00377
"1267418"	930.175286	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+CH3OH+H"	33.033486
"388180"	1833.246758	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+K"	38.963158
"751362"	2730.388558	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+K"	38.963158
"1552325"	936.104958	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K"	38.963158
"307313"	917.127017	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+K"	39.970434
"700826"	1365.697917	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+K"	39.970434
"1451367"	468.556117	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+K"	39.970434
"239968"	1836.317426	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+H"	42.033826
"1212676"	939.175626	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+H"	42.033826
"1198020"	470.091451	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+2H"	43.041102
"197089"	1839.25476	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na-H"	44.97116
"635561"	2736.39656	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na-H"	44.97116
"1140525"	942.11296	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na-H"	44.97116
"179805"	920.131018	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na"	45.978436
"621919"	1368.701918	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na"	45.978436
"1124330"	471.560118	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na"	45.978436
"1402750"	314.709170666667	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+2Na"	46.985712
"1435594"	944.154546	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+HCOOH"	47.012746
"227478"	925.16404	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H2O+2H"	56.04448
"1516645"	958.20659	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+H"	61.06479
"414872"	928.117988	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na+K"	61.952376
"776232"	1376.688888	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na+K"	61.952376
"1674748"	479.547088	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+K"	61.952376
"263088"	1858.299368	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+Na"	64.015768
"1235067"	961.157568	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+Na"	64.015768
"1717391"	961.181093	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+HCOOH"	64.039293
"1178691"	322.036484666667	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3Na"	68.967654
"1650453"	966.136488	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+HCOOH"	68.994688
"157548"	1871.20264	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K-H"	76.91904
"598325"	2768.34444	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K-H"	76.91904
"1085755"	974.06084	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K-H"	76.91904
"145849"	936.104958	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K"	77.926316
"583589"	1384.675858	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K"	77.926316
"1072110"	487.534058	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K"	77.926316
"1106418"	976.075392	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K+H"	78.933592
"1340617"	976.163007	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+DMSO+H"	79.021207
"1012428"	980.202176	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+H"	83.060376
"1528369"	981.195808	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+Na+H"	84.054008
"995911"	490.604726	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+2H"	84.067652
"1598072"	982.110428	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+HCOOH"	84.968628
"1421547"	1012.141938	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+CF3COOH"	115.000138
"1157302"	511.118001	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3ACN+2H"	125.094202
"1710133"	1029.168485	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+CF3COOH"	132.026685
"1644690"	1034.12388	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+CF3COOH"	136.98208
"1580340"	1050.09782	"C00904"	"Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+CF3COOH"	152.95602
"810705"	194.0427	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"978769"	175.02431	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"70290"	128.354524	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"517871"	193.035424	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"892026"	63.673624	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"11697"	193.035424	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"444697"	290.056774	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"821406"	96.014074	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"90145"	387.078124	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"524242"	581.120824	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"902044"	193.035424	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"57513"	404.104671	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"495980"	598.147371	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"875970"	210.061971	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"42780"	409.060066	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"483441"	603.102766	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"857962"	215.017366	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1630049"	215.017366	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"108395"	211.023763	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"548928"	308.045113	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"940376"	114.002413	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"276747"	423.054802	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"665888"	617.097502	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1281572"	229.012102	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"23032"	425.034006	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"461500"	619.076706	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"839300"	230.991306	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1566072"	230.991306	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"952861"	239.040894	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"369981"	433.083601	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"355687"	447.099251	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1507453"	253.056551	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"971346"	261.022851	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"124631"	229.012102	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"564679"	326.033452	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1035542"	131.990752	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1256213"	272.961585	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1318911"	275.017572	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1329234"	296.999529	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"921385"	307.028286	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1302102"	343.004964	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1381723"	159.030024	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1398379"	177.04	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"292345"	389.092676	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"685861"	583.135376	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1364398"	195.049976	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"134008"	195.049976	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"571381"	292.071326	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1045648"	98.028626	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"205893"	130.369076	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"645454"	195.049976	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1163582"	65.688176	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"425027"	406.119223	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"787847"	600.161923	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1694757"	212.076523	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"343035"	203.5632495	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"734726"	300.5845995	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1492439"	106.5418995	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"407716"	411.074618	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"757287"	605.117318	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1610851"	217.031918	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"319797"	206.040947	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"721214"	303.062297	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1470415"	109.019597	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1060382"	73.01549	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1267528"	227.076186	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"383915"	427.048558	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"742722"	621.091258	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1551340"	233.005858	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"307422"	214.027917	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"700936"	311.049267	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1454757"	117.006567	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"241171"	430.119226	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1213879"	236.076526	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1196673"	118.541901	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"196106"	433.05656	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"635671"	627.09926	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1140271"	239.01386	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"179551"	217.031918	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"622029"	314.053268	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1127720"	120.010568	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1407963"	80.342804	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1442264"	241.055446	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"230868"	222.06494	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1515661"	255.10749	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"413524"	225.018888	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"774519"	322.040238	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1674858"	127.997538	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"263198"	452.101168	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1235177"	258.058468	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1714221"	258.081993	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1179568"	87.670118	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1651048"	263.037388	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"161791"	465.00444	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"599530"	659.04714	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1086958"	270.96174	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"147053"	233.005858	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"588802"	330.027208	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1074406"	135.984508	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1104339"	272.976292	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1341819"	273.063907	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1012536"	277.103076	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1528475"	278.096708	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"997115"	139.055176	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1591621"	279.011328	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1421657"	309.042838	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1157412"	159.568451	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1706963"	326.069385	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1641519"	331.02478	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1580450"	346.99872	"C00905"	"D-Fructuronate;D-Fructuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"801660"	128.0586	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M"	0
"974407"	109.04021	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-H2O-H"	-19.01839
"69307"	84.365124	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M-3H"	-3.021828
"511054"	127.051324	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M-3H"	-3.021828
"888856"	41.678924	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-3H"	-3.021828
"6339"	127.051324	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M-2H"	-2.014552
"441527"	191.080624	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M-2H"	-2.014552
"818236"	63.022024	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-2H"	-2.014552
"86975"	255.109924	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M-H"	-1.007276
"522165"	383.168524	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M-H"	-1.007276
"895956"	127.051324	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-H"	-1.007276
"55436"	272.136471	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M-2H+NH4"	16.019271
"493903"	400.195071	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M-2H+NH4"	16.019271
"868426"	144.077871	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-2H+NH4"	16.019271
"39609"	277.091866	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M-2H+Na"	20.974666
"484281"	405.150466	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M-2H+Na"	20.974666
"860259"	149.033266	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-2H+Na"	20.974666
"1630522"	149.033266	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Na-2H"	20.974666
"107413"	145.039663	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M-H+Cl"	33.962126
"548065"	209.068963	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M-H+Cl"	33.962126
"940485"	81.010363	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-H+Cl"	33.962126
"275764"	291.086602	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+Cl"	34.969402
"665997"	419.145202	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+Cl"	34.969402
"1278402"	163.028002	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Cl"	34.969402
"20956"	293.065806	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M-2H+K"	36.948606
"461610"	421.124406	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M-2H+K"	36.948606
"837224"	165.007206	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-2H+K"	36.948606
"1560714"	165.007206	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+K-2H"	36.948606
"948597"	173.056794	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-H+HCOOH"	44.998194
"366810"	301.115401	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+HCOOH-H"	44.998201
"352881"	315.131051	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+Hac-H"	59.013851
"1507200"	187.072451	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Hac-H"	59.013851
"972185"	195.038751	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-H+NaCOOH"	66.980151
"124741"	163.028002	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+2Cl"	69.938804
"564666"	227.057302	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+2Cl"	69.938804
"1036379"	98.998702	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2Cl"	69.938804
"1256527"	206.977485	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Br"	78.918885
"1319141"	209.033472	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Cl+HCOOH"	80.974872
"1329344"	231.015429	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Cl+NaCOOH"	102.956829
"922588"	241.044186	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M-H+CF3COOH"	112.985586
"1304171"	277.020864	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Cl+CF3COOH"	148.962264
"1381833"	93.045924	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H-2H2O"	-35.012676
"1396411"	111.0559	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H-H2O"	-17.0027
"295735"	257.124476	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+H"	1.007276
"689253"	385.183076	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+H"	1.007276
"1364508"	129.065876	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H"	1.007276
"134118"	129.065876	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+2H"	2.014552
"570397"	193.095176	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+2H"	2.014552
"1043572"	65.036576	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2H"	2.014552
"205758"	86.379676	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+3H"	3.021828
"645686"	129.065876	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+3H"	3.021828
"1165878"	43.693476	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+3H"	3.021828
"424652"	274.151023	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+NH4"	18.033823
"787955"	402.209623	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+NH4"	18.033823
"1694137"	146.092423	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+NH4"	18.033823
"342416"	137.5791495	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+H+NH4"	19.041099
"733743"	201.6084495	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+H+NH4"	19.041099
"1488656"	73.5498495	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H+NH4"	19.041099
"408267"	279.106418	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+Na"	22.989218
"757032"	407.165018	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+Na"	22.989218
"1607681"	151.047818	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Na"	22.989218
"319907"	140.056847	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+H+Na"	23.996494
"721689"	204.086147	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+H+Na"	23.996494
"1470525"	76.027547	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H+Na"	23.996494
"1060492"	51.02079	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2H+Na"	25.00377
"1268731"	161.092086	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+CH3OH+H"	33.033486
"385118"	295.080358	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+K"	38.963158
"742832"	423.138958	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+K"	38.963158
"1550357"	167.021758	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+K"	38.963158
"309722"	148.043817	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+H+K"	39.970434
"705421"	212.073117	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+H+K"	39.970434
"1453776"	84.014517	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H+K"	39.970434
"240188"	298.151026	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+ACN+H"	42.033826
"1212167"	170.092426	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+ACN+H"	42.033826
"1194831"	85.549851	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+ACN+2H"	43.041102
"196216"	301.08836	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+2Na-H"	44.97116
"635781"	429.14696	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+2Na-H"	44.97116
"1143661"	173.02976	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2Na-H"	44.97116
"179297"	151.047818	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+2Na"	45.978436
"622139"	215.077118	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+2Na"	45.978436
"1127830"	87.018518	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2Na"	45.978436
"1408073"	58.348104	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H+2Na"	46.985712
"1443468"	175.071346	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H+HCOOH"	47.012746
"230978"	156.08084	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+3H2O+2H"	56.04448
"1513584"	189.12339	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+IsoProp+H"	61.06479
"414363"	159.034788	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+Na+K"	61.952376
"775723"	223.064088	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+Na+K"	61.952376
"1674967"	95.005488	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Na+K"	61.952376
"260392"	320.132968	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+ACN+Na"	64.015768
"1232007"	192.074368	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+ACN+Na"	64.015768
"1714331"	192.097893	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+NH4+HCOOH"	64.039293
"1179685"	65.675418	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+3Na"	68.967654
"1650427"	197.053288	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Na+HCOOH"	68.994688
"160807"	333.03624	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+2K-H"	76.91904
"599278"	461.09484	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+2K-H"	76.91904
"1085975"	204.97764	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2K-H"	76.91904
"146071"	167.021758	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"2M+2K"	77.926316
"586726"	231.051058	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"3M+2K"	77.926316
"1072329"	102.992458	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2K"	77.926316
"1103356"	206.992192	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2K+H"	78.933592
"1341929"	207.079807	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+DMSO+H"	79.021207
"1011552"	211.118976	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2ACN+H"	83.060376
"1527492"	212.112608	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+IsoProp+Na+H"	84.054008
"998318"	106.063126	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+2ACN+2H"	84.067652
"1591731"	213.027228	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+K+HCOOH"	84.968628
"1418486"	243.058738	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+H+CF3COOH"	115.000138
"1153147"	126.576401	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+3ACN+2H"	125.094202
"1701606"	260.085285	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+NH4+CF3COOH"	132.026685
"1639442"	265.04068	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+Na+CF3COOH"	136.98208
"1580560"	281.01462	"C00906"	"56-Dihydrothymine;Dihydrothymine;56-Dihydro-5-methyluracil"	"C5H8N2O2"	"128.0586"	"M+K+CF3COOH"	152.95602
"802177"	449.2849	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M"	0
"974311"	430.26651	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-H2O-H"	-19.01839
"66137"	298.515990666667	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M-3H"	-3.021828
"511164"	448.277624	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M-3H"	-3.021828
"885686"	148.754357333333	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-3H"	-3.021828
"981"	448.277624	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M-2H"	-2.014552
"441149"	672.920074	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M-2H"	-2.014552
"817979"	223.635174	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-2H"	-2.014552
"83805"	897.562524	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M-H"	-1.007276
"520088"	1346.847424	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M-H"	-1.007276
"896791"	448.277624	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-H"	-1.007276
"48985"	914.589071	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M-2H+NH4"	16.019271
"494013"	1363.873971	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M-2H+NH4"	16.019271
"868536"	465.304171	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-2H+NH4"	16.019271
"39719"	919.544466	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M-2H+Na"	20.974666
"482568"	1368.829366	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M-2H+Na"	20.974666
"860369"	470.259566	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-2H+Na"	20.974666
"1628809"	470.259566	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Na-2H"	20.974666
"107524"	466.265963	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M-H+Cl"	33.962126
"546354"	690.908413	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M-H+Cl"	33.962126
"939504"	241.623513	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-H+Cl"	33.962126
"278060"	933.539202	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+Cl"	34.969402
"668293"	1382.824102	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+Cl"	34.969402
"1281791"	484.254302	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Cl"	34.969402
"22159"	935.518406	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M-2H+K"	36.948606
"461720"	1384.803306	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M-2H+K"	36.948606
"838427"	486.233506	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-2H+K"	36.948606
"1560824"	486.233506	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+K-2H"	36.948606
"947613"	494.283094	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-H+HCOOH"	44.998194
"365827"	943.568001	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+HCOOH-H"	44.998201
"349710"	957.583651	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+Hac-H"	59.013851
"1507183"	508.298751	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Hac-H"	59.013851
"972902"	516.265051	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-H+NaCOOH"	66.980151
"124487"	484.254302	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+2Cl"	69.938804
"564044"	708.896752	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+2Cl"	69.938804
"1035761"	259.611852	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2Cl"	69.938804
"1256555"	528.203785	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Br"	78.918885
"1319249"	530.259772	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Cl+HCOOH"	80.974872
"1329453"	552.241729	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Cl+NaCOOH"	102.956829
"921605"	562.270486	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M-H+CF3COOH"	112.985586
"1303419"	598.247164	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Cl+CF3COOH"	148.962264
"1381212"	414.272224	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H-2H2O"	-35.012676
"1391782"	432.2822	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H-H2O"	-17.0027
"297304"	899.577076	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+H"	1.007276
"687903"	1348.861976	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+H"	1.007276
"1362430"	450.292176	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H"	1.007276
"127668"	450.292176	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+2H"	2.014552
"569414"	674.934626	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+2H"	2.014552
"1041494"	225.649726	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2H"	2.014552
"205869"	300.530542666667	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+3H"	3.021828
"644498"	450.292176	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+3H"	3.021828
"1165988"	150.768909333333	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+3H"	3.021828
"424721"	916.603623	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+NH4"	18.033823
"786971"	1365.888523	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+NH4"	18.033823
"1694976"	467.318723	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+NH4"	18.033823
"341433"	458.8054495	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+H+NH4"	19.041099
"731667"	683.4478995	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+H+NH4"	19.041099
"1487673"	234.1629995	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H+NH4"	19.041099
"405258"	921.559018	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+Na"	22.989218
"757506"	1370.843918	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+Na"	22.989218
"1608155"	472.274118	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Na"	22.989218
"320017"	461.283147	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+H+Na"	23.996494
"721678"	685.925597	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+H+Na"	23.996494
"1470635"	236.640697	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H+Na"	23.996494
"1060602"	158.096223333333	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2H+Na"	25.00377
"1266654"	482.318386	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+CH3OH+H"	33.033486
"379761"	937.532958	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+K"	38.963158
"742942"	1386.817858	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+K"	38.963158
"1546089"	488.248058	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+K"	38.963158
"305454"	469.270117	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+H+K"	39.970434
"697875"	693.912567	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+H+K"	39.970434
"1447319"	244.627667	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H+K"	39.970434
"239203"	940.603626	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+ACN+H"	42.033826
"1211910"	491.318726	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+ACN+H"	42.033826
"1194267"	246.163001	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+ACN+2H"	43.041102
"190127"	943.54096	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+2Na-H"	44.97116
"640265"	1392.82586	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+2Na-H"	44.97116
"1136843"	494.25606	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2Na-H"	44.97116
"181594"	472.274118	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+2Na"	45.978436
"621156"	696.916568	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+2Na"	45.978436
"1125753"	247.631668	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2Na"	45.978436
"1408183"	165.423537333333	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H+2Na"	46.985712
"1442484"	496.297646	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H+HCOOH"	47.012746
"227808"	477.30714	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+3H2O+2H"	56.04448
"1515881"	510.34969	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+IsoProp+H"	61.06479
"416661"	480.261088	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+Na+K"	61.952376
"779842"	704.903538	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+Na+K"	61.952376
"1676172"	255.618638	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Na+K"	61.952376
"264512"	962.585568	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+ACN+Na"	64.015768
"1232117"	513.300668	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+ACN+Na"	64.015768
"1715534"	513.324193	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+NH4+HCOOH"	64.039293
"1180888"	172.750851333333	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+3Na"	68.967654
"1652968"	518.279588	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Na+HCOOH"	68.994688
"158366"	975.48884	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+2K-H"	76.91904
"597686"	1424.77374	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+2K-H"	76.91904
"1086080"	526.20394	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2K-H"	76.91904
"145087"	488.248058	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"2M+2K"	77.926316
"584650"	712.890508	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"3M+2K"	77.926316
"1070982"	263.605608	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2K"	77.926316
"1104559"	528.218492	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2K+H"	78.933592
"1339852"	528.306107	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+DMSO+H"	79.021207
"1011662"	532.345276	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2ACN+H"	83.060376
"1528695"	533.338908	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+IsoProp+Na+H"	84.054008
"998428"	266.676276	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+2ACN+2H"	84.067652
"1591841"	534.253528	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+K+HCOOH"	84.968628
"1418596"	564.285038	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+H+CF3COOH"	115.000138
"1153257"	287.189551	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+3ACN+2H"	125.094202
"1701716"	581.311585	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+NH4+CF3COOH"	132.026685
"1639552"	586.26698	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+Na+CF3COOH"	136.98208
"1580670"	602.24092	"C00908"	"Gentamicin C1a"	"C19H39N5O7"	"449.2849"	"M+K+CF3COOH"	152.95602
"801541"	318.2195	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M"	0
"974845"	299.20111	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"66247"	211.139057333333	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"511274"	317.212224	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"886889"	105.065890666667	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"3279"	317.212224	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"440649"	476.321974	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"818210"	158.102474	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"87195"	635.431724	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"519344"	953.651224	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"897266"	317.212224	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"49095"	652.458271	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"489750"	970.677771	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"866093"	334.238771	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"39829"	657.413666	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"481584"	975.633166	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"859387"	339.194166	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1630010"	339.194166	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"106538"	335.200563	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"546827"	494.310313	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"939250"	176.090813	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"278169"	671.408402	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"667310"	989.627902	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1278621"	353.188902	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"17895"	673.387606	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"459643"	991.607106	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"838538"	355.168106	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1560934"	355.168106	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"947723"	363.217694	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"363749"	681.437201	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"347633"	695.452851	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1503035"	377.233351	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"972403"	385.199651	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"124965"	353.188902	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"563787"	512.298652	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1035138"	194.079152	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1255446"	397.138385	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1319361"	399.194372	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1332843"	421.176329	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"921715"	431.205086	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1303530"	467.181764	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1378406"	283.206824	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1391892"	301.2168	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"297779"	637.446276	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"689107"	955.665776	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1364727"	319.226776	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"131058"	319.226776	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"570617"	478.336526	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1040511"	160.117026	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"205130"	213.153609333333	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"645782"	319.226776	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1165005"	107.080442666667	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"426089"	654.472823	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"788173"	972.692323	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1693993"	336.253323	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"338263"	327.7400495	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"730684"	486.8497995	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1486690"	168.6302995	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"403181"	659.428218	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"758710"	977.647718	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1607901"	341.208718	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"320127"	330.217747	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"720209"	489.327497	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1470745"	171.107997	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1060712"	114.407756666667	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1266764"	351.252986	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"380964"	675.402158	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"745239"	993.621658	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1549479"	357.182658	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"305564"	338.204717	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"697985"	497.314467	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1447430"	179.094967	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"240406"	678.472826	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1214207"	360.253326	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1194363"	180.630301	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"190966"	681.41016	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"641105"	999.62966	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1135860"	363.19066	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"181704"	341.208718	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"624546"	500.318468	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1126593"	182.098968	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1409387"	121.735070666667	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1440044"	365.232246	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"230105"	346.24174	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1513805"	379.28429	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"414584"	349.195688	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"779952"	508.305438	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1675189"	190.085938	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"263529"	700.454768	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1231134"	382.235268	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1714186"	382.258793	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1179905"	129.062384666667	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1651621"	387.214188	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"159935"	713.35804	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"598525"	1031.57754	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1085585"	395.13854	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"144105"	357.182658	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"584759"	516.292408	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1071821"	198.072908	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1101753"	397.153092	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1337775"	397.240707	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1008493"	401.279876	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1526619"	402.273508	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"998538"	201.143576	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1593044"	403.188128	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1419799"	433.219638	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1154461"	221.656851	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1701826"	450.246185	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1641849"	455.20158	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1580780"	471.17552	"C00909"	"Leukotriene A4;LTA4;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoic acid;(7E9E11Z14Z)-(5S6S)-56-Epoxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6S)-56-Epoxyicosa-791114-tetraenoate;(5S6S7E9E11Z14Z)-56-Epoxyicosa-791114-tetraenoate"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"802763"	149.0701	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M"	0
"974915"	130.05171	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-H2O-H"	-19.01839
"66356"	98.3727906666667	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M-3H"	-3.021828
"503365"	148.062824	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M-3H"	-3.021828
"891381"	48.6827573333333	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-3H"	-3.021828
"11048"	148.062824	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H"	-2.014552
"441129"	222.597874	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H"	-2.014552
"829507"	73.527774	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H"	-2.014552
"87311"	297.132924	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H"	-1.007276
"520310"	446.203024	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H"	-1.007276
"897381"	148.062824	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-H"	-1.007276
"56866"	314.159471	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+NH4"	16.019271
"496432"	463.229571	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+NH4"	16.019271
"874963"	165.089371	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+NH4"	16.019271
"34481"	319.114866	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+Na"	20.974666
"475133"	468.184966	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+Na"	20.974666
"854029"	170.044766	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+Na"	20.974666
"1627935"	170.044766	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na-2H"	20.974666
"102277"	166.051163	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H+Cl"	33.962126
"544754"	240.586213	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H+Cl"	33.962126
"932070"	91.516113	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+Cl"	33.962126
"275001"	333.109602	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Cl"	34.969402
"668514"	482.179702	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Cl"	34.969402
"1282012"	184.039502	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl"	34.969402
"22381"	335.088806	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+K"	36.948606
"457810"	484.158906	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+K"	36.948606
"837556"	186.018706	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+K"	36.948606
"1558858"	186.018706	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+K-2H"	36.948606
"946740"	194.068294	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+HCOOH"	44.998194
"368239"	343.138401	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+HCOOH-H"	44.998201
"354312"	357.154051	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Hac-H"	59.013851
"1499862"	208.083951	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Hac-H"	59.013851
"966311"	216.050251	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+NaCOOH"	66.980151
"118500"	184.039502	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Cl"	69.938804
"561711"	258.574552	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Cl"	69.938804
"1036868"	109.504452	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Cl"	69.938804
"1249724"	227.988985	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Br"	78.918885
"1314363"	230.044972	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+HCOOH"	80.974872
"1327484"	252.026929	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+NaCOOH"	102.956829
"918539"	262.055686	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+CF3COOH"	112.985586
"1295612"	298.032364	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+CF3COOH"	148.962264
"1376696"	114.057424	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-2H2O"	-35.012676
"1390911"	132.0674	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-H2O"	-17.0027
"290600"	299.147476	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H"	1.007276
"680836"	448.217576	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H"	1.007276
"1356086"	150.077376	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H"	1.007276
"129341"	150.077376	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2H"	2.014552
"570723"	224.612426	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2H"	2.014552
"1040980"	75.542326	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H"	2.014552
"210701"	100.387342666667	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H"	3.021828
"648078"	150.077376	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+3H"	3.021828
"1165115"	50.6973093333333	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+3H"	3.021828
"437144"	316.174023	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+NH4"	18.033823
"797045"	465.244123	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+NH4"	18.033823
"1691188"	167.103923	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4"	18.033823
"337279"	158.5906495	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+NH4"	19.041099
"735169"	233.1256995	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+NH4"	19.041099
"1483519"	84.0555995	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+NH4"	19.041099
"396729"	321.129418	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na"	22.989218
"768790"	470.199518	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na"	22.989218
"1615673"	172.059318	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na"	22.989218
"326438"	161.068347	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+Na"	23.996494
"719957"	235.603397	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+Na"	23.996494
"1474871"	86.533297	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+Na"	23.996494
"1065929"	58.0246233333333	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H+Na"	25.00377
"1270155"	182.103586	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+CH3OH+H"	33.033486
"384355"	337.103358	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+K"	38.963158
"751912"	486.173458	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+K"	38.963158
"1549592"	188.033258	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+K"	38.963158
"308957"	169.055317	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+K"	39.970434
"700285"	243.590367	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+K"	39.970434
"1454104"	94.520267	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+K"	39.970434
"241614"	340.174026	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+H"	42.033826
"1214325"	191.103926	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+H"	42.033826
"1209274"	96.055601	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+2H"	43.041102
"202875"	343.11136	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na-H"	44.97116
"640855"	492.18146	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na-H"	44.97116
"1140715"	194.04126	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na-H"	44.97116
"180725"	172.059318	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na"	45.978436
"619192"	246.594368	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na"	45.978436
"1123789"	97.524268	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na"	45.978436
"1411689"	65.3519373333333	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+2Na"	46.985712
"1439439"	196.082846	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+HCOOH"	47.012746
"226947"	177.09234	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H2O+2H"	56.04448
"1515007"	210.13489	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+H"	61.06479
"414693"	180.046288	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na+K"	61.952376
"777873"	254.581338	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na+K"	61.952376
"1670925"	105.511238	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+K"	61.952376
"259630"	362.155968	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+Na"	64.015768
"1232338"	213.085868	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+Na"	64.015768
"1720132"	213.109393	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+HCOOH"	64.039293
"1183299"	72.6792513333333	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+3Na"	68.967654
"1660847"	218.064788	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+HCOOH"	68.994688
"165520"	375.05924	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K-H"	76.91904
"599367"	524.12934	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K-H"	76.91904
"1085213"	225.98914	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K-H"	76.91904
"145677"	188.033258	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K"	77.926316
"583779"	262.568308	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K"	77.926316
"1071577"	113.498208	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K"	77.926316
"1105881"	228.003692	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K+H"	78.933592
"1337891"	228.091307	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+DMSO+H"	79.021207
"1009704"	232.130476	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+H"	83.060376
"1524911"	233.124108	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+Na+H"	84.054008
"1002302"	116.568876	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+2H"	84.067652
"1599721"	234.038728	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+HCOOH"	84.968628
"1429634"	264.070238	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+CF3COOH"	115.000138
"1157854"	137.082151	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+3ACN+2H"	125.094202
"1710685"	281.096785	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+CF3COOH"	132.026685
"1639775"	286.05218	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+CF3COOH"	136.98208
"1580892"	302.02612	"C00913"	"3-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+CF3COOH"	152.95602
"801658"	338.1783	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M"	0
"975068"	319.15991	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-H2O-H"	-19.01839
"65373"	224.444924	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M-3H"	-3.021828
"503843"	337.171024	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M-3H"	-3.021828
"891491"	111.718824	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-3H"	-3.021828
"8972"	337.171024	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M-2H"	-2.014552
"440226"	506.260174	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M-2H"	-2.014552
"818307"	168.081874	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-2H"	-2.014552
"86328"	675.349324	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M-H"	-1.007276
"520420"	1013.527624	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M-H"	-1.007276
"897127"	337.171024	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-H"	-1.007276
"55883"	692.375871	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M-2H+NH4"	16.019271
"498728"	1030.554171	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M-2H+NH4"	16.019271
"874345"	354.197571	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-2H+NH4"	16.019271
"42245"	697.331266	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M-2H+Na"	20.974666
"478524"	1035.509566	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M-2H+Na"	20.974666
"853046"	359.152966	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-2H+Na"	20.974666
"1628046"	359.152966	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Na-2H"	20.974666
"104574"	355.159363	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M-H+Cl"	33.962126
"546320"	524.248513	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M-H+Cl"	33.962126
"934368"	186.070213	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-H+Cl"	33.962126
"275111"	711.326002	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+Cl"	34.969402
"667531"	1049.504302	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+Cl"	34.969402
"1279935"	373.147702	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Cl"	34.969402
"22491"	713.305206	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M-2H+K"	36.948606
"457678"	1051.483506	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M-2H+K"	36.948606
"837666"	375.126906	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-2H+K"	36.948606
"1562248"	375.126906	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+K-2H"	36.948606
"947942"	383.176494	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-H+HCOOH"	44.998194
"368713"	721.354801	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+HCOOH-H"	44.998201
"353329"	735.370451	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+Hac-H"	59.013851
"1499970"	397.192151	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Hac-H"	59.013851
"967513"	405.158451	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-H+NaCOOH"	66.980151
"117514"	373.147702	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+2Cl"	69.938804
"562185"	542.236852	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+2Cl"	69.938804
"1036335"	204.058552	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2Cl"	69.938804
"1247647"	417.097185	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Br"	78.918885
"1313379"	419.153172	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Cl+HCOOH"	80.974872
"1325407"	441.135129	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Cl+NaCOOH"	102.956829
"914641"	451.163886	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M-H+CF3COOH"	112.985586
"1292079"	487.140564	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Cl+CF3COOH"	148.962264
"1376805"	303.165624	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H-2H2O"	-35.012676
"1389928"	321.1756	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H-H2O"	-17.0027
"292896"	677.363876	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+H"	1.007276
"679852"	1015.542176	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+H"	1.007276
"1351944"	339.185576	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H"	1.007276
"126900"	339.185576	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+2H"	2.014552
"567916"	508.274726	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+2H"	2.014552
"1038902"	170.096426	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2H"	2.014552
"208625"	226.459476	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+3H"	3.021828
"645273"	339.185576	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+3H"	3.021828
"1165589"	113.733376	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+3H"	3.021828
"437619"	694.390423	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+NH4"	18.033823
"797156"	1032.568723	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+NH4"	18.033823
"1688019"	356.212123	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+NH4"	18.033823
"335567"	347.6988495	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+H+NH4"	19.041099
"728717"	516.7879995	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+H+NH4"	19.041099
"1481805"	178.6096995	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H+NH4"	19.041099
"395381"	699.345818	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+Na"	22.989218
"767684"	1037.524118	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+Na"	22.989218
"1612502"	361.167518	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Na"	22.989218
"321445"	350.176547	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+H+Na"	23.996494
"717151"	519.265697	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+H+Na"	23.996494
"1470972"	181.087397	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H+Na"	23.996494
"1063123"	121.06069	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2H+Na"	25.00377
"1266985"	371.211786	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+CH3OH+H"	33.033486
"382278"	715.319758	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+K"	38.963158
"751658"	1053.498058	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+K"	38.963158
"1548609"	377.141458	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+K"	38.963158
"302505"	358.163517	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+H+K"	39.970434
"700394"	527.252667	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+H+K"	39.970434
"1449840"	189.074367	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H+K"	39.970434
"241724"	718.390426	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+ACN+H"	42.033826
"1216620"	380.212126	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+ACN+H"	42.033826
"1209263"	190.609701	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+ACN+2H"	43.041102
"202985"	721.32776	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+2Na-H"	44.97116
"640965"	1059.50606	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+2Na-H"	44.97116
"1138639"	383.14946	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2Na-H"	44.97116
"180835"	361.167518	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+2Na"	45.978436
"621489"	530.256668	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+2Na"	45.978436
"1123899"	192.078368	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2Na"	45.978436
"1413623"	128.388004	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H+2Na"	46.985712
"1439552"	385.191046	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H+HCOOH"	47.012746
"229243"	366.20054	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+3H2O+2H"	56.04448
"1517304"	399.24309	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+IsoProp+H"	61.06479
"418083"	369.154488	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+Na+K"	61.952376
"779077"	538.243638	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+Na+K"	61.952376
"1672128"	200.065338	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Na+K"	61.952376
"260833"	740.372368	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+ACN+Na"	64.015768
"1232448"	402.194068	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+ACN+Na"	64.015768
"1720242"	402.217593	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+NH4+HCOOH"	64.039293
"1183409"	135.715318	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+3Na"	68.967654
"1660958"	407.172988	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Na+HCOOH"	68.994688
"165630"	753.27564	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+2K-H"	76.91904
"599356"	1091.45394	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+2K-H"	76.91904
"1085688"	415.09734	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2K-H"	76.91904
"147613"	377.141458	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"2M+2K"	77.926316
"583889"	546.230608	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"3M+2K"	77.926316
"1070715"	208.052308	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2K"	77.926316
"1105991"	417.111892	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2K+H"	78.933592
"1339094"	417.199507	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+DMSO+H"	79.021207
"1009813"	421.238676	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2ACN+H"	83.060376
"1524534"	422.232308	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+IsoProp+Na+H"	84.054008
"1002412"	211.122976	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+2ACN+2H"	84.067652
"1599832"	423.146928	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+K+HCOOH"	84.968628
"1428773"	453.178438	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+H+CF3COOH"	115.000138
"1157964"	231.636251	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+3ACN+2H"	125.094202
"1710795"	470.204985	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+NH4+CF3COOH"	132.026685
"1639885"	475.16038	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+Na+CF3COOH"	136.98208
"1581002"	491.13432	"C00915"	"Benzyl viologen"	"C24H22N2"	"338.1783"	"M+K+CF3COOH"	152.95602
"801592"	415.1049	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M"	0
"975057"	396.08651	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-H2O-H"	-19.01839
"65483"	275.729324	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M-3H"	-3.021828
"502966"	414.097624	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M-3H"	-3.021828
"891601"	137.361024	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-3H"	-3.021828
"9082"	414.097624	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M-2H"	-2.014552
"440173"	621.650074	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M-2H"	-2.014552
"819880"	206.545174	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-2H"	-2.014552
"86438"	829.202524	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M-H"	-1.007276
"519437"	1244.307424	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M-H"	-1.007276
"896138"	414.097624	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-H"	-1.007276
"57085"	846.229071	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M-2H+NH4"	16.019271
"490086"	1261.333971	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M-2H+NH4"	16.019271
"873362"	431.124171	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-2H+NH4"	16.019271
"39075"	851.184466	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M-2H+Na"	20.974666
"475355"	1266.289366	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M-2H+Na"	20.974666
"852427"	436.079566	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-2H+Na"	20.974666
"1629249"	436.079566	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Na-2H"	20.974666
"105777"	432.085963	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M-H+Cl"	33.962126
"543149"	639.638413	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M-H+Cl"	33.962126
"933385"	224.533513	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-H+Cl"	33.962126
"274128"	865.179202	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+Cl"	34.969402
"666548"	1280.284102	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+Cl"	34.969402
"1282232"	450.074302	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Cl"	34.969402
"22601"	867.158406	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M-2H+K"	36.948606
"459975"	1282.263306	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M-2H+K"	36.948606
"835590"	452.053506	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-2H+K"	36.948606
"1559078"	452.053506	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+K-2H"	36.948606
"946960"	460.103094	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-H+HCOOH"	44.998194
"367366"	875.208001	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+HCOOH-H"	44.998201
"352343"	889.223651	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+Hac-H"	59.013851
"1496437"	474.118751	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Hac-H"	59.013851
"966530"	482.085051	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-H+NaCOOH"	66.980151
"113977"	450.074302	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+2Cl"	69.938804
"561203"	657.626752	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+2Cl"	69.938804
"1032920"	242.521852	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2Cl"	69.938804
"1249948"	494.023785	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Br"	78.918885
"1316773"	496.079772	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Cl+HCOOH"	80.974872
"1329893"	518.061729	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Cl+NaCOOH"	102.956829
"919857"	528.090486	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M-H+CF3COOH"	112.985586
"1294378"	564.067164	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Cl+CF3COOH"	148.962264
"1374729"	380.092224	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H-2H2O"	-35.012676
"1384933"	398.1022	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H-H2O"	-17.0027
"285717"	831.217076	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+H"	1.007276
"677410"	1246.321976	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+H"	1.007276
"1353028"	416.112176	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H"	1.007276
"128103"	416.112176	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+2H"	2.014552
"566811"	623.664626	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+2H"	2.014552
"1038647"	208.559726	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2H"	2.014552
"204479"	277.743876	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+3H"	3.021828
"644553"	416.112176	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+3H"	3.021828
"1166427"	139.375576	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+3H"	3.021828
"434079"	848.243623	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+NH4"	18.033823
"797264"	1263.348523	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+NH4"	18.033823
"1690315"	433.138723	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+NH4"	18.033823
"336771"	424.6254495	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+H+NH4"	19.041099
"731016"	632.1778995	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+H+NH4"	19.041099
"1483374"	217.0729995	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H+NH4"	19.041099
"395491"	853.199018	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+Na"	22.989218
"765609"	1268.303918	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+Na"	22.989218
"1615528"	438.094118	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Na"	22.989218
"324835"	427.103147	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+H+Na"	23.996494
"716168"	634.655597	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+H+Na"	23.996494
"1471083"	219.550697	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H+Na"	23.996494
"1065056"	146.70289	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2H+Na"	25.00377
"1270011"	448.138386	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+CH3OH+H"	33.033486
"381295"	869.172958	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+K"	38.963158
"748853"	1284.277858	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+K"	38.963158
"1548719"	454.068058	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+K"	38.963158
"303708"	435.090117	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+H+K"	39.970434
"697224"	642.642567	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+H+K"	39.970434
"1447399"	227.537667	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H+K"	39.970434
"241105"	872.243626	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+ACN+H"	42.033826
"1217094"	457.138726	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+ACN+H"	42.033826
"1206091"	229.073001	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+ACN+2H"	43.041102
"202609"	875.18096	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+2Na-H"	44.97116
"638524"	1290.28586	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+2Na-H"	44.97116
"1138749"	460.07606	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2Na-H"	44.97116
"184225"	438.094118	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+2Na"	45.978436
"621599"	645.646568	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+2Na"	45.978436
"1124010"	230.541668	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2Na"	45.978436
"1409722"	154.030204	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H+2Na"	46.985712
"1439659"	462.117646	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H+HCOOH"	47.012746
"230447"	443.12714	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+3H2O+2H"	56.04448
"1517414"	476.16969	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+IsoProp+H"	61.06479
"419285"	446.081088	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+Na+K"	61.952376
"776999"	653.633538	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+Na+K"	61.952376
"1671144"	238.528638	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Na+K"	61.952376
"258027"	894.225568	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+ACN+Na"	64.015768
"1228547"	479.120668	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+ACN+Na"	64.015768
"1720352"	479.144193	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+NH4+HCOOH"	64.039293
"1184247"	161.357518	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+3Na"	68.967654
"1661066"	484.099588	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Na+HCOOH"	68.994688
"165740"	907.12884	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+2K-H"	76.91904
"600195"	1322.23374	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+2K-H"	76.91904
"1085433"	492.02394	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2K-H"	76.91904
"148816"	454.068058	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"2M+2K"	77.926316
"583999"	661.620508	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"3M+2K"	77.926316
"1072890"	246.515608	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2K"	77.926316
"1109381"	494.038492	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2K+H"	78.933592
"1339204"	494.126107	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+DMSO+H"	79.021207
"1012110"	498.165276	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2ACN+H"	83.060376
"1529142"	499.158908	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+IsoProp+Na+H"	84.054008
"1003250"	249.586276	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+2ACN+2H"	84.067652
"1601398"	500.073528	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+K+HCOOH"	84.968628
"1429245"	530.105038	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+H+CF3COOH"	115.000138
"1152607"	270.099551	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+3ACN+2H"	125.094202
"1708718"	547.131585	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+NH4+CF3COOH"	132.026685
"1646555"	552.08698	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+Na+CF3COOH"	136.98208
"1581112"	568.06092	"C00916"	"Cephalosporin C"	"C16H21N3O8S"	"415.1049"	"M+K+CF3COOH"	152.95602
"806010"	322.0123	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M"	0
"978450"	302.99391	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-H2O-H"	-19.01839
"67786"	213.667590666667	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M-3H"	-3.021828
"517194"	321.005024	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M-3H"	-3.021828
"892807"	106.330157333333	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-3H"	-3.021828
"8100"	321.005024	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M-2H"	-2.014552
"440490"	482.011174	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M-2H"	-2.014552
"830932"	159.998874	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-2H"	-2.014552
"90924"	643.017324	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M-H"	-1.007276
"530483"	965.029624	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M-H"	-1.007276
"907562"	321.005024	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-H"	-1.007276
"60113"	660.043871	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M-2H+NH4"	16.019271
"497856"	982.056171	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M-2H+NH4"	16.019271
"871286"	338.031571	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-2H+NH4"	16.019271
"36997"	664.999266	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M-2H+Na"	20.974666
"478745"	987.011566	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M-2H+Na"	20.974666
"855453"	342.986966	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-2H+Na"	20.974666
"1627175"	342.986966	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Na-2H"	20.974666
"104796"	338.993363	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M-H+Cl"	33.962126
"538886"	499.999513	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M-H+Cl"	33.962126
"931306"	177.987213	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-H+Cl"	33.962126
"270958"	678.994002	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+Cl"	34.969402
"667753"	1001.006302	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+Cl"	34.969402
"1279792"	356.981702	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Cl"	34.969402
"20525"	680.973206	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M-2H+K"	36.948606
"458990"	1002.985506	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M-2H+K"	36.948606
"833592"	358.960906	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-2H+K"	36.948606
"1557362"	358.960906	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+K-2H"	36.948606
"953640"	367.010494	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-H+HCOOH"	44.998194
"370762"	689.022801	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+HCOOH-H"	44.998201
"352457"	703.038451	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+Hac-H"	59.013851
"1499100"	381.026151	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Hac-H"	59.013851
"966643"	388.992451	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-H+NaCOOH"	66.980151
"118835"	356.981702	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+2Cl"	69.938804
"559857"	517.987852	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+2Cl"	69.938804
"1027201"	195.975552	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2Cl"	69.938804
"1250060"	400.931185	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Br"	78.918885
"1310319"	402.987172	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Cl+HCOOH"	80.974872
"1324535"	424.969129	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Cl+NaCOOH"	102.956829
"914500"	434.997886	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M-H+CF3COOH"	112.985586
"1302999"	470.974564	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Cl+CF3COOH"	148.962264
"1375934"	286.999624	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H-2H2O"	-35.012676
"1392339"	305.0096	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H-H2O"	-17.0027
"286554"	645.031876	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+H"	1.007276
"676787"	967.044176	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+H"	1.007276
"1351594"	323.019576	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H"	1.007276
"127120"	323.019576	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+2H"	2.014552
"565822"	484.025726	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+2H"	2.014552
"1037226"	162.013426	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2H"	2.014552
"211040"	215.682142666667	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+3H"	3.021828
"652787"	323.019576	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+3H"	3.021828
"1176754"	108.344709333333	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+3H"	3.021828
"435286"	662.058423	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+NH4"	18.033823
"796281"	984.070723	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+NH4"	18.033823
"1691518"	340.046123	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+NH4"	18.033823
"336881"	331.5328495	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+H+NH4"	19.041099
"725654"	492.5389995	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+H+NH4"	19.041099
"1481662"	170.5266995	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H+NH4"	19.041099
"403631"	667.013818	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+Na"	22.989218
"764626"	989.026118	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+Na"	22.989218
"1616003"	345.001518	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Na"	22.989218
"327136"	334.010547	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+H+Na"	23.996494
"718463"	495.016697	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+H+Na"	23.996494
"1473378"	173.004397	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H+Na"	23.996494
"1063343"	115.672023333333	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2H+Na"	25.00377
"1266115"	355.045786	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+CH3OH+H"	33.033486
"387969"	682.987758	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+K"	38.963158
"743495"	1005.000058	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+K"	38.963158
"1544455"	360.975458	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+K"	38.963158
"302725"	341.997517	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+H+K"	39.970434
"697334"	503.003667	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+H+K"	39.970434
"1448968"	180.991367	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H+K"	39.970434
"243043"	686.058426	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+ACN+H"	42.033826
"1220133"	364.046126	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+ACN+H"	42.033826
"1208269"	182.526701	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+ACN+2H"	43.041102
"202356"	688.99576	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+2Na-H"	44.97116
"638635"	1011.00806	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+2Na-H"	44.97116
"1136672"	366.98346	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2Na-H"	44.97116
"183244"	345.001518	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+2Na"	45.978436
"619523"	506.007668	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+2Na"	45.978436
"1130323"	183.995368	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2Na"	45.978436
"1410933"	122.999337333333	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H+2Na"	46.985712
"1439768"	369.025046	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H+HCOOH"	47.012746
"229462"	350.03454	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+3H2O+2H"	56.04448
"1520440"	383.07709	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+IsoProp+H"	61.06479
"417212"	352.988488	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+Na+K"	61.952376
"775289"	513.994638	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+Na+K"	61.952376
"1671255"	191.982338	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Na+K"	61.952376
"256681"	708.040368	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+ACN+Na"	64.015768
"1232673"	386.028068	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+ACN+Na"	64.015768
"1718277"	386.051593	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+NH4+HCOOH"	64.039293
"1184357"	130.326651333333	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+3Na"	68.967654
"1658991"	391.006988	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Na+HCOOH"	68.994688
"168038"	720.94364	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+2K-H"	76.91904
"603588"	1042.95594	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+2K-H"	76.91904
"1096487"	398.93134	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2K-H"	76.91904
"150021"	360.975458	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"2M+2K"	77.926316
"594688"	521.981608	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"3M+2K"	77.926316
"1070818"	199.969308	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2K"	77.926316
"1102933"	400.945892	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2K+H"	78.933592
"1342600"	401.033507	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+DMSO+H"	79.021207
"1016596"	405.072676	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2ACN+H"	83.060376
"1537646"	406.066308	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+IsoProp+Na+H"	84.054008
"1004460"	203.039976	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+2ACN+2H"	84.067652
"1601998"	406.980928	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+K+HCOOH"	84.968628
"1427896"	437.012438	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+H+CF3COOH"	115.000138
"1154904"	223.553251	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+3ACN+2H"	125.094202
"1708830"	454.038985	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+NH4+CF3COOH"	132.026685
"1643386"	458.99438	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+Na+CF3COOH"	136.98208
"1581223"	474.96832	"C00918"	"Chloramphenicol"	"C11H12Cl2N2O5"	"322.0123"	"M+K+CF3COOH"	152.95602
"802475"	183.0565	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M"	0
"977466"	164.03811	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-H2O-H"	-19.01839
"66802"	121.030390666667	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M-3H"	-3.021828
"516211"	182.049224	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M-3H"	-3.021828
"894010"	60.0115573333333	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-3H"	-3.021828
"8210"	182.049224	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M-2H"	-2.014552
"440964"	273.577474	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M-2H"	-2.014552
"824479"	90.520974	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-2H"	-2.014552
"91034"	365.105724	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M-H"	-1.007276
"530593"	548.162224	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M-H"	-1.007276
"908036"	182.049224	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-H"	-1.007276
"54027"	382.132271	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M-2H+NH4"	16.019271
"497966"	565.188771	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M-2H+NH4"	16.019271
"871395"	199.075771	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-2H+NH4"	16.019271
"33827"	387.087666	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M-2H+Na"	20.974666
"477761"	570.144166	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M-2H+Na"	20.974666
"852283"	204.031166	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-2H+Na"	20.974666
"1625098"	204.031166	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Na-2H"	20.974666
"101626"	200.037563	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M-H+Cl"	33.962126
"538996"	291.565813	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M-H+Cl"	33.962126
"932509"	108.509313	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-H+Cl"	33.962126
"273254"	401.082402	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+Cl"	34.969402
"667863"	584.138902	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+Cl"	34.969402
"1280994"	218.025902	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Cl"	34.969402
"20634"	403.061606	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M-2H+K"	36.948606
"461286"	586.118106	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M-2H+K"	36.948606
"836901"	220.005106	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-2H+K"	36.948606
"1560387"	220.005106	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+K-2H"	36.948606
"954843"	228.054694	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-H+HCOOH"	44.998194
"368685"	411.111201	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+HCOOH-H"	44.998201
"351474"	425.126851	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+Hac-H"	59.013851
"1497387"	242.070351	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Hac-H"	59.013851
"966748"	250.036651	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-H+NaCOOH"	66.980151
"120038"	218.025902	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+2Cl"	69.938804
"559600"	309.554152	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+2Cl"	69.938804
"1023051"	126.497652	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2Cl"	69.938804
"1243356"	261.975385	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Br"	78.918885
"1309335"	264.031372	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Cl+HCOOH"	80.974872
"1320270"	286.013329	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Cl+NaCOOH"	102.956829
"912418"	296.042086	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M-H+CF3COOH"	112.985586
"1303230"	332.018764	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Cl+CF3COOH"	148.962264
"1376044"	148.043824	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H-2H2O"	-35.012676
"1392449"	166.0538	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H-H2O"	-17.0027
"286664"	367.120276	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+H"	1.007276
"676127"	550.176776	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+H"	1.007276
"1352394"	184.063776	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H"	1.007276
"127351"	184.063776	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+2H"	2.014552
"567883"	275.592026	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+2H"	2.014552
"1038018"	92.535526	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2H"	2.014552
"210056"	123.044942666667	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+3H"	3.021828
"648522"	184.063776	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+3H"	3.021828
"1176865"	62.0261093333333	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+3H"	3.021828
"435396"	384.146823	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+NH4"	18.033823
"796391"	567.203323	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+NH4"	18.033823
"1690535"	201.090323	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+NH4"	18.033823
"337721"	192.5770495	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+H+NH4"	19.041099
"726857"	284.1052995	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+H+NH4"	19.041099
"1481772"	101.0487995	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H+NH4"	19.041099
"405926"	389.102218	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+Na"	22.989218
"764737"	572.158718	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+Na"	22.989218
"1615020"	206.045718	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Na"	22.989218
"326155"	195.054747	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+H+Na"	23.996494
"717480"	286.582997	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+H+Na"	23.996494
"1473487"	103.526497	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H+Na"	23.996494
"1064546"	69.3534233333333	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2H+Na"	25.00377
"1267316"	216.089986	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+CH3OH+H"	33.033486
"385892"	405.076158	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+K"	38.963158
"746887"	588.132658	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+K"	38.963158
"1546752"	222.019658	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+K"	38.963158
"302835"	203.041717	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+H+K"	39.970434
"696351"	294.569967	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+H+K"	39.970434
"1447256"	111.513467	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H+K"	39.970434
"244246"	408.146826	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+ACN+H"	42.033826
"1218056"	225.090326	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+ACN+H"	42.033826
"1208500"	113.048801	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+ACN+2H"	43.041102
"200276"	411.08416	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+2Na-H"	44.97116
"639837"	594.14066	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+2Na-H"	44.97116
"1137875"	228.02766	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2Na-H"	44.97116
"182259"	206.045718	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+2Na"	45.978436
"620726"	297.573968	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+2Na"	45.978436
"1129340"	114.517468	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2Na"	45.978436
"1406670"	76.6807373333333	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H+2Na"	46.985712
"1433317"	230.069246	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H+HCOOH"	47.012746
"230665"	211.07874	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+3H2O+2H"	56.04448
"1518726"	244.12129	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+IsoProp+H"	61.06479
"414042"	214.032688	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+Na+K"	61.952376
"775762"	305.560938	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+Na+K"	61.952376
"1670268"	122.504438	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Na+K"	61.952376
"257519"	430.128768	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+ACN+Na"	64.015768
"1231324"	247.072268	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+ACN+Na"	64.015768
"1718387"	247.095793	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+NH4+HCOOH"	64.039293
"1179728"	84.0080513333333	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+3Na"	68.967654
"1657278"	252.051188	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Na+HCOOH"	68.994688
"162679"	443.03204	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+2K-H"	76.91904
"603698"	626.08854	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+2K-H"	76.91904
"1093681"	259.97554	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2K-H"	76.91904
"149038"	222.019658	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"2M+2K"	77.926316
"592247"	313.547908	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"3M+2K"	77.926316
"1070928"	130.491408	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2K"	77.926316
"1100856"	261.990092	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2K+H"	78.933592
"1339429"	262.077707	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+DMSO+H"	79.021207
"1016342"	266.116876	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2ACN+H"	83.060376
"1539336"	267.110508	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+IsoProp+Na+H"	84.054008
"1005583"	133.562076	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+2ACN+2H"	84.067652
"1602350"	268.025128	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+K+HCOOH"	84.968628
"1428006"	298.056638	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+H+CF3COOH"	115.000138
"1155014"	154.075351	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+3ACN+2H"	125.094202
"1708940"	315.083185	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+NH4+CF3COOH"	132.026685
"1643496"	320.03858	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+Na+CF3COOH"	136.98208
"1581333"	336.01252	"C00919"	"Choline sulfate"	"C5H13NO4S"	"183.0565"	"M+K+CF3COOH"	152.95602
"802950"	1072.1834	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M"	0
"977576"	1053.16501	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-H2O-H"	-19.01839
"66912"	713.781657333333	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M-3H"	-3.021828
"518503"	1071.176124	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M-3H"	-3.021828
"893027"	356.387190666667	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-3H"	-3.021828
"8320"	1071.176124	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M-2H"	-2.014552
"441439"	1607.267824	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M-2H"	-2.014552
"824589"	535.084424	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-2H"	-2.014552
"90780"	2143.359524	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M-H"	-1.007276
"528517"	3215.542924	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M-H"	-1.007276
"908510"	1071.176124	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-H"	-1.007276
"57417"	2160.386071	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M-2H+NH4"	16.019271
"499172"	3232.569471	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M-2H+NH4"	16.019271
"874787"	1088.202671	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-2H+NH4"	16.019271
"43780"	2165.341466	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M-2H+Na"	20.974666
"482247"	3237.524866	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M-2H+Na"	20.974666
"850571"	1093.158066	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-2H+Na"	20.974666
"1626301"	1093.158066	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Na-2H"	20.974666
"105016"	1089.164463	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M-H+Cl"	33.962126
"539106"	1625.256163	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M-H+Cl"	33.962126
"932618"	553.072763	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-H+Cl"	33.962126
"271542"	2179.336202	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+Cl"	34.969402
"666879"	3251.519602	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+Cl"	34.969402
"1279282"	1107.152802	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Cl"	34.969402
"21837"	2181.315406	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M-2H+K"	36.948606
"459209"	3253.498806	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M-2H+K"	36.948606
"837012"	1109.132006	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-2H+K"	36.948606
"1558676"	1109.132006	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+K-2H"	36.948606
"956411"	1117.181594	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-H+HCOOH"	44.998194
"372439"	2189.365001	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+HCOOH-H"	44.998201
"353406"	2203.380651	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+Hac-H"	59.013851
"1497133"	1131.197251	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Hac-H"	59.013851
"964308"	1139.163551	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-H+NaCOOH"	66.980151
"120148"	1107.152802	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+2Cl"	69.938804
"557523"	1643.244502	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+2Cl"	69.938804
"1022675"	571.061102	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2Cl"	69.938804
"1246625"	1151.102285	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Br"	78.918885
"1307259"	1153.158272	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Cl+HCOOH"	80.974872
"1321472"	1175.140229	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Cl+NaCOOH"	102.956829
"914350"	1185.168986	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M-H+CF3COOH"	112.985586
"1300181"	1221.145664	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Cl+CF3COOH"	148.962264
"1373967"	1037.170724	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H-2H2O"	-35.012676
"1384901"	1055.1807	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H-H2O"	-17.0027
"283734"	2145.374076	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+H"	1.007276
"676437"	3217.557476	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+H"	1.007276
"1351651"	1073.190676	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H"	1.007276
"126611"	1073.190676	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+2H"	2.014552
"566049"	1609.282376	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+2H"	2.014552
"1040076"	537.098976	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2H"	2.014552
"209436"	715.796209333333	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+3H"	3.021828
"658475"	1073.190676	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+3H"	3.021828
"1177460"	358.401742666667	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+3H"	3.021828
"439031"	2162.400623	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+NH4"	18.033823
"798689"	3234.584023	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+NH4"	18.033823
"1692834"	1090.217223	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+NH4"	18.033823
"342205"	1081.7039495	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+H+NH4"	19.041099
"729155"	1617.7956495	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+H+NH4"	19.041099
"1481883"	545.6122495	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H+NH4"	19.041099
"405671"	2167.356018	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+Na"	22.989218
"767033"	3239.539418	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+Na"	22.989218
"1617803"	1095.172618	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Na"	22.989218
"327481"	1084.181647	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+H+Na"	23.996494
"718683"	1620.273347	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+H+Na"	23.996494
"1472503"	548.089947	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H+Na"	23.996494
"1062469"	365.729056666667	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2H+Na"	25.00377
"1265239"	1105.216886	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+CH3OH+H"	33.033486
"386002"	2183.329958	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+K"	38.963158
"745903"	3255.513358	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+K"	38.963158
"1544675"	1111.146558	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+K"	38.963158
"301851"	1092.168617	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+H+K"	39.970434
"696462"	1628.260317	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+H+K"	39.970434
"1452470"	556.076917	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H+K"	39.970434
"249096"	2186.400626	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+ACN+H"	42.033826
"1220353"	1114.217226	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+ACN+H"	42.033826
"1205329"	557.612251	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+ACN+2H"	43.041102
"201726"	2189.33796	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+2Na-H"	44.97116
"642623"	3261.52136	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+2Na-H"	44.97116
"1145402"	1117.15456	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2Na-H"	44.97116
"187841"	1095.172618	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+2Na"	45.978436
"627401"	1631.264318	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+2Na"	45.978436
"1128597"	559.080918	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2Na"	45.978436
"1407872"	373.056370666667	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H+2Na"	46.985712
"1437801"	1119.196146	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H+HCOOH"	47.012746
"230775"	1100.20564	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+3H2O+2H"	56.04448
"1521025"	1133.24819	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+IsoProp+H"	61.06479
"419619"	1103.159588	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+Na+K"	61.952376
"776239"	1639.251288	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+Na+K"	61.952376
"1671837"	567.067888	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Na+K"	61.952376
"261275"	2208.382568	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+ACN+Na"	64.015768
"1235079"	1136.199168	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+ACN+Na"	64.015768
"1719587"	1136.222693	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+NH4+HCOOH"	64.039293
"1179838"	380.383684666667	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+3Na"	68.967654
"1654105"	1141.178088	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Na+HCOOH"	68.994688
"158415"	2221.28584	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+2K-H"	76.91904
"599068"	3293.46924	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+2K-H"	76.91904
"1093791"	1149.10244	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2K-H"	76.91904
"149148"	1111.146558	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"2M+2K"	77.926316
"594179"	1647.238258	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"3M+2K"	77.926316
"1074319"	575.054858	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2K"	77.926316
"1108257"	1151.116992	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2K+H"	78.933592
"1342819"	1151.204607	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+DMSO+H"	79.021207
"1016816"	1155.243776	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2ACN+H"	83.060376
"1539325"	1156.237408	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+IsoProp+Na+H"	84.054008
"1005590"	578.125526	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+2ACN+2H"	84.067652
"1602600"	1157.152028	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+K+HCOOH"	84.968628
"1429822"	1187.183538	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+H+CF3COOH"	115.000138
"1162623"	598.638801	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+3ACN+2H"	125.094202
"1712618"	1204.210085	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+NH4+CF3COOH"	132.026685
"1643606"	1209.16548	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+Na+CF3COOH"	136.98208
"1581443"	1225.13942	"C00920"	"CoA-glutathione;Coenzyme A-glutathione mixed disulfide"	"C31H51N10O22P3S2"	"1072.1834"	"M+K+CF3COOH"	152.95602
"801967"	314.1127	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M"	0
"977686"	295.09431	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-H2O-H"	-19.01839
"67022"	208.401190666667	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M-3H"	-3.021828
"516796"	313.105424	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M-3H"	-3.021828
"889856"	103.696957333333	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-3H"	-3.021828
"4055"	313.105424	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M-2H"	-2.014552
"442521"	470.161774	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M-2H"	-2.014552
"822512"	156.049074	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-2H"	-2.014552
"79220"	627.218124	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M-H"	-1.007276
"519632"	941.330824	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M-H"	-1.007276
"907162"	313.105424	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-H"	-1.007276
"58619"	644.244671	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M-2H+NH4"	16.019271
"500254"	958.357371	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M-2H+NH4"	16.019271
"874897"	330.131971	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-2H+NH4"	16.019271
"42797"	649.200066	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M-2H+Na"	20.974666
"476890"	963.312766	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M-2H+Na"	20.974666
"850193"	335.087366	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-2H+Na"	20.974666
"1623131"	335.087366	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Na-2H"	20.974666
"105126"	331.093763	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M-H+Cl"	33.962126
"538123"	488.150113	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M-H+Cl"	33.962126
"931636"	174.037413	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-H+Cl"	33.962126
"272382"	663.194802	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+Cl"	34.969402
"666990"	977.307502	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+Cl"	34.969402
"1280486"	349.082102	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Cl"	34.969402
"21947"	665.174006	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M-2H+K"	36.948606
"460412"	979.286706	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M-2H+K"	36.948606
"838215"	351.061306	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-2H+K"	36.948606
"1558786"	351.061306	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+K-2H"	36.948606
"950687"	359.110894	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-H+HCOOH"	44.998194
"365619"	673.223601	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+HCOOH-H"	44.998201
"353873"	687.239251	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+Hac-H"	59.013851
"1500519"	373.126551	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Hac-H"	59.013851
"963324"	381.092851	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-H+NaCOOH"	66.980151
"112961"	349.082102	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+2Cl"	69.938804
"553258"	506.138452	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+2Cl"	69.938804
"1022297"	192.025752	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2Cl"	69.938804
"1242362"	393.031585	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Br"	78.918885
"1307369"	395.087572	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Cl+HCOOH"	80.974872
"1320610"	417.069529	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Cl+NaCOOH"	102.956829
"912273"	427.098286	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M-H+CF3COOH"	112.985586
"1300291"	463.074964	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Cl+CF3COOH"	148.962264
"1374077"	279.100024	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H-2H2O"	-35.012676
"1385012"	297.11	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H-H2O"	-17.0027
"283604"	629.232676	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+H"	1.007276
"676385"	943.345376	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+H"	1.007276
"1351761"	315.119976	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H"	1.007276
"127450"	315.119976	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+2H"	2.014552
"566038"	472.176326	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+2H"	2.014552
"1040187"	158.063626	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2H"	2.014552
"209183"	210.415742666667	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+3H"	3.021828
"654213"	315.119976	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+3H"	3.021828
"1176719"	105.711509333333	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+3H"	3.021828
"437440"	646.259223	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+NH4"	18.033823
"798799"	960.371923	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+NH4"	18.033823
"1692944"	332.146523	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+NH4"	18.033823
"342315"	323.6332495	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+H+NH4"	19.041099
"729265"	480.6895995	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+H+NH4"	19.041099
"1481993"	166.5768995	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H+NH4"	19.041099
"406875"	651.214618	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+Na"	22.989218
"767871"	965.327318	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+Na"	22.989218
"1617426"	337.101918	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Na"	22.989218
"326371"	326.110947	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+H+Na"	23.996494
"720979"	483.167297	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+H+Na"	23.996494
"1473706"	169.054597	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H+Na"	23.996494
"1061485"	113.038823333333	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2H+Na"	25.00377
"1264256"	347.146186	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+CH3OH+H"	33.033486
"385018"	667.188558	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+K"	38.963158
"742732"	981.301258	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+K"	38.963158
"1545878"	353.075858	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+K"	38.963158
"300500"	334.097917	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+H+K"	39.970434
"693286"	491.154267	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+H+K"	39.970434
"1446860"	177.041567	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H+K"	39.970434
"239358"	670.259226	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+ACN+H"	42.033826
"1224961"	356.146526	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+ACN+H"	42.033826
"1207629"	178.576901	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+ACN+2H"	43.041102
"201838"	673.19656	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+2Na-H"	44.97116
"642978"	987.30926	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+2Na-H"	44.97116
"1146605"	359.08386	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2Na-H"	44.97116
"187832"	337.101918	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+2Na"	45.978436
"627754"	494.158268	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+2Na"	45.978436
"1130531"	180.045568	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2Na"	45.978436
"1405795"	120.366137333333	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H+2Na"	46.985712
"1437911"	361.125446	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H+HCOOH"	47.012746
"229793"	342.13494	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+3H2O+2H"	56.04448
"1520042"	375.17749	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+IsoProp+H"	61.06479
"412073"	345.088888	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+Na+K"	61.952376
"775256"	502.145238	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+Na+K"	61.952376
"1673771"	188.032538	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Na+K"	61.952376
"259198"	692.241168	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+ACN+Na"	64.015768
"1233001"	378.128468	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+ACN+Na"	64.015768
"1713500"	378.151993	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+NH4+HCOOH"	64.039293
"1182864"	127.693451333333	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+3Na"	68.967654
"1650934"	383.107388	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Na+HCOOH"	68.994688
"157302"	705.14444	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+2K-H"	76.91904
"597714"	1019.25714	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+2K-H"	76.91904
"1091348"	391.03174	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2K-H"	76.91904
"145978"	353.075858	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"2M+2K"	77.926316
"590644"	510.132208	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"3M+2K"	77.926316
"1074429"	196.019508	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2K"	77.926316
"1109460"	393.046292	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2K+H"	78.933592
"1341836"	393.133907	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+DMSO+H"	79.021207
"1015833"	397.173076	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2ACN+H"	83.060376
"1539192"	398.166708	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+IsoProp+Na+H"	84.054008
"1005153"	199.090176	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+2ACN+2H"	84.067652
"1602330"	399.081328	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+K+HCOOH"	84.968628
"1429450"	429.112838	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+H+CF3COOH"	115.000138
"1162487"	219.603451	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+3ACN+2H"	125.094202
"1712320"	446.139385	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+NH4+CF3COOH"	132.026685
"1643716"	451.09478	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+Na+CF3COOH"	136.98208
"1581553"	467.06872	"C00921"	"Dihydropteroate;78-Dihydropteroate"	"C14H14N6O3"	"314.1127"	"M+K+CF3COOH"	152.95602
"811918"	144.0423	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M"	0
"982171"	125.02391	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-H2O-H"	-19.01839
"71509"	95.020924	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M-3H"	-3.021828
"517271"	143.035024	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M-3H"	-3.021828
"892520"	47.006824	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-3H"	-3.021828
"6353"	143.035024	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M-2H"	-2.014552
"442266"	215.056174	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M-2H"	-2.014552
"822622"	71.013874	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-2H"	-2.014552
"84802"	287.077324	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M-H"	-1.007276
"523634"	431.119624	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M-H"	-1.007276
"908365"	143.035024	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-H"	-1.007276
"61285"	304.103871	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M-2H+NH4"	16.019271
"501216"	448.146171	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M-2H+NH4"	16.019271
"876099"	160.061571	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-2H+NH4"	16.019271
"44000"	309.059266	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M-2H+Na"	20.974666
"478094"	453.101566	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M-2H+Na"	20.974666
"851521"	165.016966	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-2H+Na"	20.974666
"1627615"	165.016966	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Na-2H"	20.974666
"109246"	161.023363	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M-H+Cl"	33.962126
"542606"	233.044513	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M-H+Cl"	33.962126
"936122"	89.002213	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-H+Cl"	33.962126
"273585"	323.054002	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+Cl"	34.969402
"666007"	467.096302	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+Cl"	34.969402
"1279503"	179.011702	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Cl"	34.969402
"23152"	325.033206	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M-2H+K"	36.948606
"462711"	469.075506	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M-2H+K"	36.948606
"838325"	180.990906	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-2H+K"	36.948606
"1563999"	180.990906	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+K-2H"	36.948606
"949704"	189.040494	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-H+HCOOH"	44.998194
"365732"	333.082801	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+HCOOH-H"	44.998201
"348883"	347.098451	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+Hac-H"	59.013851
"1496257"	203.056151	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Hac-H"	59.013851
"961614"	211.022451	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-H+NaCOOH"	66.980151
"118176"	179.011702	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+2Cl"	69.938804
"551304"	251.032852	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+2Cl"	69.938804
"1021682"	106.990552	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2Cl"	69.938804
"1242355"	222.961185	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Br"	78.918885
"1310759"	225.017172	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Cl+HCOOH"	80.974872
"1320601"	246.999129	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Cl+NaCOOH"	102.956829
"912145"	257.027886	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M-H+CF3COOH"	112.985586
"1300401"	293.004564	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Cl+CF3COOH"	148.962264
"1376374"	109.029624	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H-2H2O"	-35.012676
"1385122"	127.0396	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H-H2O"	-17.0027
"283589"	289.091876	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+H"	1.007276
"676132"	433.134176	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+H"	1.007276
"1351792"	145.049576	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H"	1.007276
"126341"	145.049576	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+2H"	2.014552
"566757"	217.070726	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+2H"	2.014552
"1037374"	73.028426	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2H"	2.014552
"207833"	97.035476	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+3H"	3.021828
"654323"	145.049576	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+3H"	3.021828
"1173549"	49.021376	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+3H"	3.021828
"434634"	306.118423	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+NH4"	18.033823
"795629"	450.160723	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+NH4"	18.033823
"1691961"	162.076123	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+NH4"	18.033823
"342425"	153.5628495	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+H+NH4"	19.041099
"733753"	225.5839995	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+H+NH4"	19.041099
"1487572"	81.5416995	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H+NH4"	19.041099
"398600"	311.073818	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+Na"	22.989218
"761782"	455.116118	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+Na"	22.989218
"1604533"	167.031518	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Na"	22.989218
"318824"	156.040547	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+H+Na"	23.996494
"710151"	228.061697	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+H+Na"	23.996494
"1466159"	84.019397	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H+Na"	23.996494
"1055030"	56.34869	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2H+Na"	25.00377
"1263270"	177.075786	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+CH3OH+H"	33.033486
"378319"	327.047758	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+K"	38.963158
"740288"	471.090058	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+K"	38.963158
"1540149"	183.005458	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+K"	38.963158
"299021"	164.027517	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+H+K"	39.970434
"691439"	236.048667	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+H+K"	39.970434
"1446118"	92.006367	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H+K"	39.970434
"235829"	330.118426	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+ACN+H"	42.033826
"1210138"	186.076126	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+ACN+H"	42.033826
"1209684"	93.541701	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+ACN+2H"	43.041102
"203897"	333.05576	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+2Na-H"	44.97116
"643656"	477.09806	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+2Na-H"	44.97116
"1144767"	189.01346	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2Na-H"	44.97116
"188065"	167.031518	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+2Na"	45.978436
"627950"	239.052668	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+2Na"	45.978436
"1128938"	95.010368	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2Na"	45.978436
"1401531"	63.676004	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H+2Na"	46.985712
"1434741"	191.055046	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H+HCOOH"	47.012746
"225529"	172.06454	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+3H2O+2H"	56.04448
"1513592"	205.10709	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+IsoProp+H"	61.06479
"413278"	175.018488	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+Na+K"	61.952376
"775363"	247.039638	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+Na+K"	61.952376
"1671695"	102.997338	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Na+K"	61.952376
"260399"	352.100368	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+ACN+Na"	64.015768
"1234204"	208.058068	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+ACN+Na"	64.015768
"1713404"	208.081593	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+NH4+HCOOH"	64.039293
"1182974"	71.003318	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+3Na"	68.967654
"1651044"	213.036988	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Na+HCOOH"	68.994688
"158634"	365.00364	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+2K-H"	76.91904
"597826"	509.04594	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+2K-H"	76.91904
"1088177"	220.96134	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2K-H"	76.91904
"148274"	183.005458	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"2M+2K"	77.926316
"592942"	255.026608	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"3M+2K"	77.926316
"1077819"	110.984308	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2K"	77.926316
"1109570"	222.975892	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2K+H"	78.933592
"1349362"	223.063507	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+DMSO+H"	79.021207
"1019226"	227.102676	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2ACN+H"	83.060376
"1535170"	228.096308	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+IsoProp+Na+H"	84.054008
"1003802"	114.054976	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+2ACN+2H"	84.067652
"1600493"	229.010928	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+K+HCOOH"	84.968628
"1428340"	259.042438	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+H+CF3COOH"	115.000138
"1159719"	134.568251	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+3ACN+2H"	125.094202
"1705989"	276.068985	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+NH4+CF3COOH"	132.026685
"1646013"	281.02438	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+Na+CF3COOH"	136.98208
"1581663"	296.99832	"C00922"	"23-Dimethylmaleate;Dimethylmaleic acid"	"C6H8O4"	"144.0423"	"M+K+CF3COOH"	152.95602
"816286"	500.1543	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M"	0
"983379"	481.13591	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-H2O-H"	-19.01839
"75995"	332.428924	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M-3H"	-3.021828
"514462"	499.147024	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M-3H"	-3.021828
"888983"	165.710824	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-3H"	-3.021828
"2090"	499.147024	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M-2H"	-2.014552
"444932"	749.224174	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M-2H"	-2.014552
"828937"	249.069874	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-2H"	-2.014552
"94188"	999.301324	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M-H"	-1.007276
"534112"	1499.455624	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M-H"	-1.007276
"906660"	499.147024	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-H"	-1.007276
"55565"	1016.327871	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M-2H+NH4"	16.019271
"497312"	1516.482171	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M-2H+NH4"	16.019271
"877667"	516.173571	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-2H+NH4"	16.019271
"44110"	1021.283266	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M-2H+Na"	20.974666
"483671"	1521.437566	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M-2H+Na"	20.974666
"856004"	521.128966	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-2H+Na"	20.974666
"1623350"	521.128966	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Na-2H"	20.974666
"104252"	517.135363	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M-H+Cl"	33.962126
"544904"	767.212513	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M-H+Cl"	33.962126
"938055"	267.058213	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-H+Cl"	33.962126
"273696"	1035.278002	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+Cl"	34.969402
"670494"	1535.432302	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+Cl"	34.969402
"1276699"	535.123702	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Cl"	34.969402
"20348"	1037.257206	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M-2H+K"	36.948606
"458452"	1537.411506	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M-2H+K"	36.948606
"836257"	537.102906	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-2H+K"	36.948606
"1559746"	537.102906	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+K-2H"	36.948606
"945441"	545.152494	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-H+HCOOH"	44.998194
"366938"	1045.306801	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+HCOOH-H"	44.998201
"351917"	1059.322451	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+Hac-H"	59.013851
"1497474"	559.168151	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Hac-H"	59.013851
"969391"	567.134451	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-H+NaCOOH"	66.980151
"122673"	535.123702	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+2Cl"	69.938804
"565521"	785.200852	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+2Cl"	69.938804
"1029940"	285.046552	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2Cl"	69.938804
"1250613"	579.073185	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Br"	78.918885
"1319543"	581.129172	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Cl+HCOOH"	80.974872
"1331652"	603.111129	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Cl+NaCOOH"	102.956829
"921618"	613.139886	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M-H+CF3COOH"	112.985586
"1298327"	649.116564	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Cl+CF3COOH"	148.962264
"1373208"	465.141624	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H-2H2O"	-35.012676
"1393986"	483.1516	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H-H2O"	-17.0027
"293672"	1001.315876	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+H"	1.007276
"678803"	1501.470176	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+H"	1.007276
"1356975"	501.161576	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H"	1.007276
"132053"	501.161576	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+2H"	2.014552
"578909"	751.238726	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+2H"	2.014552
"1049171"	251.084426	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2H"	2.014552
"217798"	334.443476	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+3H"	3.021828
"656626"	501.161576	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+3H"	3.021828
"1173658"	167.725376	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+3H"	3.021828
"432557"	1018.342423	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+NH4"	18.033823
"792460"	1518.496723	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+NH4"	18.033823
"1693895"	518.188123	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+NH4"	18.033823
"338164"	509.6748495	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+H+NH4"	19.041099
"731681"	759.7519995	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+H+NH4"	19.041099
"1489874"	259.5976995	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H+NH4"	19.041099
"405272"	1023.297818	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+Na"	22.989218
"765174"	1523.452118	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+Na"	22.989218
"1614370"	523.143518	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Na"	22.989218
"322217"	512.152547	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+H+Na"	23.996494
"713545"	762.229697	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+H+Na"	23.996494
"1465177"	262.075397	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H+Na"	23.996494
"1058423"	175.05269	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2H+Na"	25.00377
"1260100"	533.187786	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+CH3OH+H"	33.033486
"377575"	1039.271758	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+K"	38.963158
"739305"	1539.426058	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+K"	38.963158
"1540053"	539.117458	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+K"	38.963158
"313367"	520.139517	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+H+K"	39.970434
"707061"	770.216667	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+H+K"	39.970434
"1461204"	270.062367	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H+K"	39.970434
"251333"	1042.342426	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+ACN+H"	42.033826
"1225395"	542.188126	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+ACN+H"	42.033826
"1209698"	271.597701	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+ACN+2H"	43.041102
"204027"	1045.27976	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+2Na-H"	44.97116
"643812"	1545.43406	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+2Na-H"	44.97116
"1146748"	545.12546	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2Na-H"	44.97116
"179427"	523.143518	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+2Na"	45.978436
"616799"	773.220668	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+2Na"	45.978436
"1124678"	273.066368	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2Na"	45.978436
"1409295"	182.380004	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H+2Na"	46.985712
"1440317"	547.167046	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H+HCOOH"	47.012746
"224546"	528.17654	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+3H2O+2H"	56.04448
"1512607"	561.21909	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+IsoProp+H"	61.06479
"417760"	531.130488	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+Na+K"	61.952376
"776569"	781.207638	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+Na+K"	61.952376
"1670713"	281.053338	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Na+K"	61.952376
"260513"	1064.324368	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+ACN+Na"	64.015768
"1232128"	564.170068	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+ACN+Na"	64.015768
"1717367"	564.193593	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+NH4+HCOOH"	64.039293
"1184181"	189.707318	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+3Na"	68.967654
"1656260"	569.148988	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Na+HCOOH"	68.994688
"162031"	1077.22764	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+2K-H"	76.91904
"604873"	1577.38194	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+2K-H"	76.91904
"1091577"	577.07334	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2K-H"	76.91904
"152766"	539.117458	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"2M+2K"	77.926316
"587956"	789.194608	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"3M+2K"	77.926316
"1071374"	289.040308	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2K"	77.926316
"1104583"	579.087892	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2K+H"	78.933592
"1342062"	579.175507	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+DMSO+H"	79.021207
"1014965"	583.214676	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2ACN+H"	83.060376
"1537224"	584.208308	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+IsoProp+Na+H"	84.054008
"1005417"	292.110976	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+2ACN+2H"	84.067652
"1602425"	585.122928	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+K+HCOOH"	84.968628
"1428450"	615.154438	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+H+CF3COOH"	115.000138
"1157642"	312.624251	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+3ACN+2H"	125.094202
"1702818"	632.180985	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+NH4+CF3COOH"	132.026685
"1634821"	637.13638	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+Na+CF3COOH"	136.98208
"1571358"	653.11032	"C00927"	"Isonocardicin A;1-Azetidineacetic acid"	"C23H24N4O9"	"500.1543"	"M+K+CF3COOH"	152.95602
"816155"	78.0139	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M"	0
"986769"	58.99551	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-H2O-H"	-19.01839
"76105"	51.0019906666667	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M-3H"	-3.021828
"513478"	77.006624	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M-3H"	-3.021828
"892009"	24.9973573333333	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-3H"	-3.021828
"2200"	77.006624	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M-2H"	-2.014552
"445042"	116.013574	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M-2H"	-2.014552
"829047"	37.999674	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-2H"	-2.014552
"93986"	155.020524	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M-H"	-1.007276
"534176"	233.034424	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M-H"	-1.007276
"906770"	77.006624	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-H"	-1.007276
"55675"	172.047071	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M-2H+NH4"	16.019271
"498516"	250.060971	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M-2H+NH4"	16.019271
"878142"	94.033171	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-2H+NH4"	16.019271
"40940"	177.002466	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M-2H+Na"	20.974666
"482688"	255.016366	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M-2H+Na"	20.974666
"857208"	98.988566	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-2H+Na"	20.974666
"1623460"	98.988566	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Na-2H"	20.974666
"101082"	94.994963	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M-H+Cl"	33.962126
"545014"	134.001913	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M-H+Cl"	33.962126
"935249"	55.988013	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-H+Cl"	33.962126
"270890"	190.997202	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+Cl"	34.969402
"669511"	269.011102	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+Cl"	34.969402
"1278994"	112.983302	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Cl"	34.969402
"19729"	192.976406	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M-2H+K"	36.948606
"457833"	270.990306	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M-2H+K"	36.948606
"834179"	114.962506	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-2H+K"	36.948606
"1557669"	114.962506	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+K-2H"	36.948606
"945551"	123.012094	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-H+HCOOH"	44.998194
"365955"	201.026001	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+HCOOH-H"	44.998201
"352027"	215.041651	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+Hac-H"	59.013851
"1498677"	137.027751	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Hac-H"	59.013851
"968408"	144.994051	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-H+NaCOOH"	66.980151
"117315"	112.983302	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+2Cl"	69.938804
"565143"	151.990252	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+2Cl"	69.938804
"1030050"	73.976352	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2Cl"	69.938804
"1250723"	156.932785	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Br"	78.918885
"1318640"	158.988772	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Cl+HCOOH"	80.974872
"1331762"	180.970729	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Cl+NaCOOH"	102.956829
"912247"	190.999486	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M-H+CF3COOH"	112.985586
"1298438"	226.976164	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Cl+CF3COOH"	148.962264
"1370037"	43.001224	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H-2H2O"	-35.012676
"1384253"	61.0112	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H-H2O"	-17.0027
"285034"	157.035076	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+H"	1.007276
"676115"	235.048976	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+H"	1.007276
"1357085"	79.021176	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H"	1.007276
"132163"	79.021176	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+2H"	2.014552
"578657"	118.028126	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+2H"	2.014552
"1050010"	40.014226	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2H"	2.014552
"218637"	53.0165426666667	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+3H"	3.021828
"657465"	79.021176	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+3H"	3.021828
"1173767"	27.0119093333333	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+3H"	3.021828
"434853"	174.061623	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+NH4"	18.033823
"792570"	252.075523	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+NH4"	18.033823
"1694369"	96.047723	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+NH4"	18.033823
"342649"	87.5344495	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+H+NH4"	19.041099
"736528"	126.5413995	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+H+NH4"	19.041099
"1489621"	48.5274995	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H+NH4"	19.041099
"406477"	179.017018	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+Na"	22.989218
"764920"	257.030918	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+Na"	22.989218
"1613387"	101.003118	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Na"	22.989218
"322327"	90.012147	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+H+Na"	23.996494
"715842"	129.019097	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+H+Na"	23.996494
"1466380"	51.005197	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H+Na"	23.996494
"1058533"	34.3392233333333	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2H+Na"	25.00377
"1260210"	111.047386	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+CH3OH+H"	33.033486
"377147"	194.990958	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+K"	38.963158
"740508"	273.004858	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+K"	38.963158
"1540079"	116.977058	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+K"	38.963158
"310681"	97.999117	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+H+K"	39.970434
"706023"	137.006067	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+H+K"	39.970434
"1460825"	58.992167	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H+K"	39.970434
"251045"	198.061626	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+ACN+H"	42.033826
"1225173"	120.047726	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+ACN+H"	42.033826
"1209257"	60.527501	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+ACN+2H"	43.041102
"204114"	200.99896	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+2Na-H"	44.97116
"641484"	279.01286	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+2Na-H"	44.97116
"1143894"	122.98506	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2Na-H"	44.97116
"176258"	101.003118	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+2Na"	45.978436
"616909"	140.010068	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+2Na"	45.978436
"1123696"	61.996168	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2Na"	45.978436
"1407219"	41.6665373333333	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H+2Na"	46.985712
"1438239"	125.026646	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H+HCOOH"	47.012746
"224656"	106.03614	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+3H2O+2H"	56.04448
"1513810"	139.07869	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+IsoProp+H"	61.06479
"416777"	108.990088	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+Na+K"	61.952376
"774493"	147.997038	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+Na+K"	61.952376
"1671916"	69.983138	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Na+K"	61.952376
"260623"	220.043568	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+ACN+Na"	64.015768
"1232238"	142.029668	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+ACN+Na"	64.015768
"1716384"	142.053193	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+NH4+HCOOH"	64.039293
"1185384"	48.9938513333333	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+3Na"	68.967654
"1654548"	147.008588	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Na+HCOOH"	68.994688
"163235"	232.94684	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+2K-H"	76.91904
"604983"	310.96074	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+2K-H"	76.91904
"1092780"	154.93294	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2K-H"	76.91904
"152876"	116.977058	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"2M+2K"	77.926316
"588066"	155.984008	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"3M+2K"	77.926316
"1072577"	77.970108	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2K"	77.926316
"1103600"	156.947492	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2K+H"	78.933592
"1338526"	157.035107	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+DMSO+H"	79.021207
"1015075"	161.074276	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2ACN+H"	83.060376
"1538306"	162.067908	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+IsoProp+Na+H"	84.054008
"1004022"	81.040776	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+2ACN+2H"	84.067652
"1599618"	162.982528	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+K+HCOOH"	84.968628
"1427466"	193.014038	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+H+CF3COOH"	115.000138
"1159938"	101.554051	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+3ACN+2H"	125.094202
"1700740"	210.040585	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+NH4+CF3COOH"	132.026685
"1636024"	214.99598	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+Na+CF3COOH"	136.98208
"1571347"	230.96992	"C00928"	"Mercaptoethanol;2-Mercaptoethanol;Thioglycol"	"C2H6OS"	"78.0139"	"M+K+CF3COOH"	152.95602
"808972"	226.0954	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M"	0
"984693"	207.07701	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-H2O-H"	-19.01839
"70748"	149.722990666667	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M-3H"	-3.021828
"516505"	225.088124	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M-3H"	-3.021828
"894431"	74.3578573333333	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-3H"	-3.021828
"12163"	225.088124	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M-2H"	-2.014552
"455130"	338.135824	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M-2H"	-2.014552
"825151"	112.040424	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-2H"	-2.014552
"90610"	451.183524	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M-H"	-1.007276
"531022"	677.278924	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M-H"	-1.007276
"908702"	225.088124	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-H"	-1.007276
"56878"	468.210071	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M-2H+NH4"	16.019271
"498625"	694.305471	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M-2H+NH4"	16.019271
"874242"	242.114671	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-2H+NH4"	16.019271
"41050"	473.165466	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M-2H+Na"	20.974666
"483889"	699.260866	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M-2H+Na"	20.974666
"860597"	247.070066	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-2H+Na"	20.974666
"1630130"	247.070066	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Na-2H"	20.974666
"108849"	243.076463	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M-H+Cl"	33.962126
"545125"	356.124163	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M-H+Cl"	33.962126
"935359"	130.028763	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-H+Cl"	33.962126
"272826"	487.160202	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+Cl"	34.969402
"666341"	713.255602	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+Cl"	34.969402
"1276561"	261.064802	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Cl"	34.969402
"22397"	489.139406	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M-2H+K"	36.948606
"460863"	715.234806	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M-2H+K"	36.948606
"839759"	263.044006	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-2H+K"	36.948606
"1557782"	263.044006	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+K-2H"	36.948606
"952230"	271.093594	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-H+HCOOH"	44.998194
"368261"	497.189001	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+HCOOH-H"	44.998201
"349957"	511.204651	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+Hac-H"	59.013851
"1497697"	285.109251	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Hac-H"	59.013851
"965239"	293.075551	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-H+NaCOOH"	66.980151
"123627"	261.064802	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+2Cl"	69.938804
"564971"	374.112502	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+2Cl"	69.938804
"1032350"	148.017102	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2Cl"	69.938804
"1254115"	305.014285	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Br"	78.918885
"1314376"	307.070272	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Cl+HCOOH"	80.974872
"1325314"	329.052229	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Cl+NaCOOH"	102.956829
"921841"	339.080986	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M-H+CF3COOH"	112.985586
"1296363"	375.057664	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Cl+CF3COOH"	148.962264
"1378900"	191.082724	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H-2H2O"	-35.012676
"1396397"	209.0927	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H-H2O"	-17.0027
"294989"	453.198076	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+H"	1.007276
"688147"	679.293476	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+H"	1.007276
"1364495"	227.102676	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H"	1.007276
"137748"	227.102676	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+2H"	2.014552
"574029"	340.150376	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+2H"	2.014552
"1047202"	114.054976	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2H"	2.014552
"218750"	151.737542666667	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+3H"	3.021828
"658673"	227.102676	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+3H"	3.021828
"1173882"	76.3724093333333	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+3H"	3.021828
"436062"	470.224623	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+NH4"	18.033823
"797058"	696.320023	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+NH4"	18.033823
"1693386"	244.129223	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+NH4"	18.033823
"343852"	235.6159495	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+H+NH4"	19.041099
"735180"	348.6636495	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+H+NH4"	19.041099
"1490096"	122.5682495	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H+NH4"	19.041099
"402212"	475.180018	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+Na"	22.989218
"765764"	701.275418	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+Na"	22.989218
"1610217"	249.084618	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Na"	22.989218
"324626"	238.093647	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+H+Na"	23.996494
"713766"	351.141347	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+H+Na"	23.996494
"1468680"	125.045947	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H+Na"	23.996494
"1061927"	83.6997233333333	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2H+Na"	25.00377
"1266886"	259.128886	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+CH3OH+H"	33.033486
"389474"	491.153958	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+K"	38.963158
"749744"	717.249358	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+K"	38.963158
"1552890"	265.058558	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+K"	38.963158
"308974"	246.080617	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+H+K"	39.970434
"704313"	359.128317	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+H+K"	39.970434
"1460933"	133.032917	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H+K"	39.970434
"247831"	494.224626	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+ACN+H"	42.033826
"1223579"	268.129226	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+ACN+H"	42.033826
"1200417"	134.568251	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+ACN+2H"	43.041102
"198754"	497.16196	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+2Na-H"	44.97116
"640507"	723.25736	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+2Na-H"	44.97116
"1142554"	271.06656	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2Na-H"	44.97116
"181469"	249.084618	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+2Na"	45.978436
"621390"	362.132318	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+2Na"	45.978436
"1120522"	136.036918	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2Na"	45.978436
"1402952"	91.0270373333333	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H+2Na"	46.985712
"1435069"	273.108146	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H+HCOOH"	47.012746
"224765"	254.11764	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+3H2O+2H"	56.04448
"1515013"	287.16019	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+IsoProp+H"	61.06479
"413607"	257.071588	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+Na+K"	61.952376
"776791"	370.119288	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+Na+K"	61.952376
"1676402"	144.023888	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Na+K"	61.952376
"253083"	516.206568	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+ACN+Na"	64.015768
"1234538"	290.111168	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+ACN+Na"	64.015768
"1721235"	290.134693	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+NH4+HCOOH"	64.039293
"1187322"	98.3543513333333	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+3Na"	68.967654
"1656486"	295.090088	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Na+HCOOH"	68.994688
"167724"	529.10984	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+2K-H"	76.91904
"606190"	755.20524	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+2K-H"	76.91904
"1088516"	303.01444	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2K-H"	76.91904
"150799"	265.058558	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"2M+2K"	77.926316
"583798"	378.106258	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"3M+2K"	77.926316
"1069768"	152.010858	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2K"	77.926316
"1101519"	305.028992	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2K+H"	78.933592
"1343371"	305.116607	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+DMSO+H"	79.021207
"1007891"	309.155776	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2ACN+H"	83.060376
"1526747"	310.149408	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+IsoProp+Na+H"	84.054008
"996474"	155.081526	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+2ACN+2H"	84.067652
"1590978"	311.064028	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+K+HCOOH"	84.968628
"1418825"	341.095538	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+H+CF3COOH"	115.000138
"1156770"	175.594801	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+3ACN+2H"	125.094202
"1703040"	358.122085	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+NH4+CF3COOH"	132.026685
"1640881"	363.07748	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+Na+CF3COOH"	136.98208
"1581998"	379.05142	"C00931"	"Porphobilinogen"	"C10H14N2O4"	"226.0954"	"M+K+CF3COOH"	152.95602
"802522"	310.1654	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M"	0
"981523"	291.14701	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-H2O-H"	-19.01839
"71951"	205.769657333333	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M-3H"	-3.021828
"513699"	309.158124	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M-3H"	-3.021828
"891503"	102.381190666667	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-3H"	-3.021828
"12639"	309.158124	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M-2H"	-2.014552
"454025"	464.240824	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M-2H"	-2.014552
"830729"	154.075424	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-2H"	-2.014552
"90721"	619.323524	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M-H"	-1.007276
"531374"	929.488924	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M-H"	-1.007276
"909547"	309.158124	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-H"	-1.007276
"56989"	636.350071	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M-2H+NH4"	16.019271
"496549"	946.515471	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M-2H+NH4"	16.019271
"877999"	326.184671	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-2H+NH4"	16.019271
"36787"	641.305466	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M-2H+Na"	20.974666
"477439"	951.470866	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M-2H+Na"	20.974666
"860709"	331.140066	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-2H+Na"	20.974666
"1632428"	331.140066	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Na-2H"	20.974666
"108232"	327.146463	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M-H+Cl"	33.962126
"544141"	482.229163	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M-H+Cl"	33.962126
"934376"	172.063763	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-H+Cl"	33.962126
"274027"	655.300202	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+Cl"	34.969402
"665356"	965.465602	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+Cl"	34.969402
"1276672"	345.134802	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Cl"	34.969402
"20322"	657.279406	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M-2H+K"	36.948606
"458787"	967.444806	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M-2H+K"	36.948606
"838776"	347.114006	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-2H+K"	36.948606
"1558985"	347.114006	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+K-2H"	36.948606
"952340"	355.163594	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-H+HCOOH"	44.998194
"371651"	665.329001	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+HCOOH-H"	44.998201
"351162"	679.344651	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+Hac-H"	59.013851
"1501089"	369.179251	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Hac-H"	59.013851
"970819"	377.145551	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-H+NaCOOH"	66.980151
"123372"	345.134802	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+2Cl"	69.938804
"564755"	500.217502	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+2Cl"	69.938804
"1036107"	190.052102	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2Cl"	69.938804
"1256051"	389.084285	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Br"	78.918885
"1317405"	391.140272	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Cl+HCOOH"	80.974872
"1326519"	413.122229	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Cl+NaCOOH"	102.956829
"920857"	423.150986	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M-H+CF3COOH"	112.985586
"1300486"	459.127664	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Cl+CF3COOH"	148.962264
"1378282"	275.152724	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H-2H2O"	-35.012676
"1393957"	293.1627	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H-H2O"	-17.0027
"294735"	621.338076	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+H"	1.007276
"689715"	931.503476	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+H"	1.007276
"1365333"	311.172676	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H"	1.007276
"138587"	311.172676	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+2H"	2.014552
"578150"	466.255376	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+2H"	2.014552
"1050228"	156.089976	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2H"	2.014552
"219225"	207.784209333333	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+3H"	3.021828
"659795"	311.172676	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+3H"	3.021828
"1173992"	104.395742666667	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+3H"	3.021828
"437265"	638.364623	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+NH4"	18.033823
"799354"	948.530023	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+NH4"	18.033823
"1692403"	328.199223	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+NH4"	18.033823
"343963"	319.6859495	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+H+NH4"	19.041099
"733103"	474.7686495	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+H+NH4"	19.041099
"1488746"	164.6032495	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H+NH4"	19.041099
"405970"	643.320018	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+Na"	22.989218
"768063"	953.485418	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+Na"	22.989218
"1613974"	333.154618	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Na"	22.989218
"325829"	322.163647	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+H+Na"	23.996494
"713876"	477.246347	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+H+Na"	23.996494
"1472070"	167.080947	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H+Na"	23.996494
"1062037"	111.723056666667	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2H+Na"	25.00377
"1265905"	343.198886	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+CH3OH+H"	33.033486
"389218"	659.293958	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+K"	38.963158
"753262"	969.459358	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+K"	38.963158
"1554707"	349.128558	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+K"	38.963158
"311636"	330.150617	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+H+K"	39.970434
"705762"	485.233317	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+H+K"	39.970434
"1461264"	175.067917	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H+K"	39.970434
"250130"	662.364626	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+ACN+H"	42.033826
"1224542"	352.199226	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+ACN+H"	42.033826
"1203807"	176.603251	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+ACN+2H"	43.041102
"200687"	665.30196	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+2Na-H"	44.97116
"640616"	975.46736	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+2Na-H"	44.97116
"1139748"	355.13656	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2Na-H"	44.97116
"181943"	333.154618	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+2Na"	45.978436
"623325"	488.237318	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+2Na"	45.978436
"1123913"	178.071918	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2Na"	45.978436
"1403063"	119.050370666667	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H+2Na"	46.985712
"1432992"	357.178146	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H+HCOOH"	47.012746
"224875"	338.18764	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+3H2O+2H"	56.04448
"1515123"	371.23019	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+IsoProp+H"	61.06479
"416633"	341.141588	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+Na+K"	61.952376
"777994"	496.224288	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+Na+K"	61.952376
"1672137"	186.058888	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Na+K"	61.952376
"261942"	684.346568	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+ACN+Na"	64.015768
"1233553"	374.181168	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+ACN+Na"	64.015768
"1720618"	374.204693	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+NH4+HCOOH"	64.039293
"1188163"	126.377684666667	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+3Na"	68.967654
"1660242"	379.160088	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Na+HCOOH"	68.994688
"168927"	697.24984	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+2K-H"	76.91904
"606300"	1007.41524	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+2K-H"	76.91904
"1088626"	387.08444	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2K-H"	76.91904
"153096"	349.128558	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"2M+2K"	77.926316
"583909"	504.211258	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"3M+2K"	77.926316
"1074983"	194.045858	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2K"	77.926316
"1107097"	389.098992	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2K+H"	78.933592
"1343483"	389.186607	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+DMSO+H"	79.021207
"1012013"	393.225776	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2ACN+H"	83.060376
"1533419"	394.219408	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+IsoProp+Na+H"	84.054008
"1003027"	197.116526	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+2ACN+2H"	84.067652
"1594368"	395.134028	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+K+HCOOH"	84.968628
"1422215"	425.165538	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+H+CF3COOH"	115.000138
"1157973"	217.629801	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+3ACN+2H"	125.094202
"1705337"	442.192085	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+NH4+CF3COOH"	132.026685
"1644271"	447.14748	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+Na+CF3COOH"	136.98208
"1582108"	463.12142	"C00933"	"Sinapine;Sinapoylcholine"	"C16H24NO5"	"310.1654"	"M+K+CF3COOH"	152.95602
"814663"	536.0445	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M"	0
"979447"	517.02611	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-H2O-H"	-19.01839
"72063"	356.355724	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M-3H"	-3.021828
"506156"	535.037224	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M-3H"	-3.021828
"890521"	177.674224	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-3H"	-3.021828
"12754"	535.037224	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H"	-2.014552
"449756"	803.059474	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H"	-2.014552
"832547"	267.014974	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-2H"	-2.014552
"93263"	1071.081724	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M-H"	-1.007276
"533885"	1607.126224	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M-H"	-1.007276
"910748"	535.037224	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-H"	-1.007276
"61856"	1088.108271	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+NH4"	16.019271
"502023"	1624.152771	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+NH4"	16.019271
"878960"	552.063771	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-2H+NH4"	16.019271
"42362"	1093.063666	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+Na"	20.974666
"485934"	1629.108166	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+Na"	20.974666
"862643"	557.019166	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-2H+Na"	20.974666
"1631081"	557.019166	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Na-2H"	20.974666
"98135"	553.025563	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M-H+Cl"	33.962126
"538788"	821.047813	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M-H+Cl"	33.962126
"932304"	285.003313	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-H+Cl"	33.962126
"275235"	1107.058402	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+Cl"	34.969402
"661462"	1643.102902	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+Cl"	34.969402
"1276781"	571.013902	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl"	34.969402
"17516"	1109.037606	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+K"	36.948606
"461087"	1645.082106	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+K"	36.948606
"839981"	572.993106	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-2H+K"	36.948606
"1564568"	572.993106	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+K-2H"	36.948606
"953545"	581.042694	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-H+HCOOH"	44.998194
"371762"	1117.087201	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+HCOOH-H"	44.998201
"354552"	1131.102851	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+Hac-H"	59.013851
"1503386"	595.058351	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Hac-H"	59.013851
"972387"	603.024651	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-H+NaCOOH"	66.980151
"125184"	571.013902	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+2Cl"	69.938804
"558303"	839.036152	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+2Cl"	69.938804
"1030383"	302.991652	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2Cl"	69.938804
"1253973"	614.963385	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Br"	78.918885
"1314599"	617.019372	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+HCOOH"	80.974872
"1324442"	639.001329	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+NaCOOH"	102.956829
"920971"	649.030086	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M-H+CF3COOH"	112.985586
"1297679"	685.006764	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+CF3COOH"	148.962264
"1378756"	501.031824	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H-2H2O"	-35.012676
"1394800"	519.0418	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H-H2O"	-17.0027
"294121"	1073.096276	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+H"	1.007276
"688003"	1609.140776	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+H"	1.007276
"1361799"	537.051776	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H"	1.007276
"138699"	537.051776	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+2H"	2.014552
"578623"	805.074026	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+2H"	2.014552
"1051071"	269.029526	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2H"	2.014552
"219699"	358.370276	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+3H"	3.021828
"653787"	537.051776	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+3H"	3.021828
"1177017"	179.688776	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+3H"	3.021828
"434093"	1090.122823	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+NH4"	18.033823
"792901"	1626.167323	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+NH4"	18.033823
"1692512"	554.078323	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+NH4"	18.033823
"341884"	545.5650495	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+H+NH4"	19.041099
"735399"	813.5872995	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+H+NH4"	19.041099
"1491406"	277.5427995	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H+NH4"	19.041099
"407904"	1095.078218	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+Na"	22.989218
"762335"	1631.122718	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+Na"	22.989218
"1616994"	559.033718	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Na"	22.989218
"325938"	548.042747	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+H+Na"	23.996494
"718359"	816.064997	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+H+Na"	23.996494
"1472179"	280.020497	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H+Na"	23.996494
"1058866"	187.01609	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2H+Na"	25.00377
"1264918"	569.077986	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+CH3OH+H"	33.033486
"390792"	1111.052158	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+K"	38.963158
"751789"	1647.096658	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+K"	38.963158
"1553114"	575.007658	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+K"	38.963158
"313089"	556.029717	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+H+K"	39.970434
"705873"	824.051967	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+H+K"	39.970434
"1461033"	288.007467	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H+K"	39.970434
"251092"	1114.122826	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+H"	42.033826
"1225144"	578.078326	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+H"	42.033826
"1208413"	289.542801	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+2H"	43.041102
"200075"	1117.06016	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na-H"	44.97116
"638540"	1653.10466	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na-H"	44.97116
"1143137"	581.01566	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2Na-H"	44.97116
"182053"	559.033718	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na"	45.978436
"624895"	827.055968	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na"	45.978436
"1122570"	291.011468	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2Na"	45.978436
"1408643"	194.343404	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H+2Na"	46.985712
"1440759"	583.057246	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H+HCOOH"	47.012746
"229361"	564.06674	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+3H2O+2H"	56.04448
"1520340"	597.10929	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+H"	61.06479
"420026"	567.020688	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+Na+K"	61.952376
"782483"	835.042938	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+Na+K"	61.952376
"1678084"	298.998438	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Na+K"	61.952376
"261324"	1136.104768	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+Na"	64.015768
"1236217"	600.060268	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+Na"	64.015768
"1724742"	600.083793	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+HCOOH"	64.039293
"1190096"	201.670718	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+3Na"	68.967654
"1665096"	605.039188	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Na+HCOOH"	68.994688
"167944"	1149.00804	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+2K-H"	76.91904
"607505"	1685.05254	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+2K-H"	76.91904
"1089830"	612.96354	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2K-H"	76.91904
"148833"	575.007658	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"2M+2K"	77.926316
"582317"	843.029908	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"3M+2K"	77.926316
"1069135"	306.985408	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2K"	77.926316
"1107207"	614.978092	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2K+H"	78.933592
"1341406"	615.065707	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+DMSO+H"	79.021207
"1007140"	619.104876	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+H"	83.060376
"1530248"	620.098508	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+Na+H"	84.054008
"999975"	310.056076	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+2H"	84.067652
"1596668"	621.013128	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+K+HCOOH"	84.968628
"1417957"	651.044638	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+H+CF3COOH"	115.000138
"1154804"	330.569351	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+3ACN+2H"	125.094202
"1703265"	668.071185	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+CF3COOH"	132.026685
"1646569"	673.02658	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+Na+CF3COOH"	136.98208
"1582219"	689.00052	"C00935"	"UDP-L-arabinose;UDP-L-arabinopyranose;UDP-beta-L-arabinopyranose"	"C14H22N2O16P2"	"536.0445"	"M+K+CF3COOH"	152.95602
"809305"	180.0634	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M"	0
"975182"	161.04501	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"66705"	119.034990666667	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"507358"	179.056124	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"880788"	59.0138573333333	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"12497"	179.056124	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"447679"	269.087824	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"826575"	89.024424	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"87661"	359.119524	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"530502"	539.182924	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"907210"	179.056124	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"57210"	376.146071	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"496770"	556.209471	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877852"	196.082671	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"42472"	381.101466	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"484220"	561.164866	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"857648"	201.038066	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1630462"	201.038066	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"97152"	197.044463	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"538898"	287.076163	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"932414"	107.012763	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"274252"	395.096202	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"661082"	575.159602	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1283450"	215.032802	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"20541"	397.075406	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"461196"	577.138806	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"835717"	217.012006	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1563585"	217.012006	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"951471"	225.061594	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"369685"	405.125001	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"350287"	419.140651	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1498391"	239.077251	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"969944"	247.043551	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"121040"	215.032802	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"562787"	305.064502	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1030493"	125.001102	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1246791"	258.982285	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1317625"	261.038272	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1322364"	283.020229	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919985"	293.048986	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1298518"	329.025664	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1380326"	145.050724	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1396367"	163.0607	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"294962"	361.134076	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"689935"	541.197476	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1362275"	181.070676	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"137350"	181.070676	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"580193"	271.102376	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1051182"	91.038976	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"218714"	121.049542666667	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"653533"	181.070676	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1172025"	61.0284093333333	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"435298"	378.160623	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791918"	558.224023	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1691165"	198.097223	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"340901"	189.5839495	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"735510"	279.6156495	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1488236"	99.5522495	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"408014"	383.116018	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"762445"	563.179418	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1617104"	203.052618	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"328600"	192.061647	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"716281"	282.093347	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1472289"	102.029947	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1058976"	68.3557233333333	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1263935"	213.096886	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"390173"	399.089958	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"751534"	579.153358	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1552495"	219.026558	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"313559"	200.048617	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"706063"	290.080317	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1460978"	110.016917	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"251162"	402.160626	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1225294"	222.097226	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1208887"	111.552251	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"199091"	405.09796	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"637556"	585.16136	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1142153"	225.03456	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"181070"	203.052618	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"622818"	293.084318	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1126690"	113.020918	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1406566"	75.6830373333333	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1436494"	227.076146	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231291"	208.08564	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1517531"	241.12819	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"419040"	211.039588	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"781863"	301.071288	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1677834"	121.007888	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"263988"	424.142568	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1237786"	244.079168	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1725585"	244.102693	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1189113"	83.0103513333333	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1664477"	249.058088	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"168054"	437.04584	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"601054"	617.10924	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1089940"	256.98244	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"147850"	219.026558	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"584129"	309.058258	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1070828"	128.994858	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1107317"	258.996992	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1344796"	259.084607	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1007129"	263.123776	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1527078"	264.117408	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"996805"	132.065526	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1596778"	265.032028	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1418067"	295.063538	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1152727"	152.578801	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1703375"	312.090085	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1646679"	317.04548	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1582329"	333.01942	"C00936"	"alpha-D-Mannose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"812695"	74.0368	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M"	0
"977479"	55.01841	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"65722"	48.3505906666667	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"506375"	73.029524	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"881263"	23.6716573333333	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"12607"	73.029524	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"452166"	110.047924	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"831426"	36.011124	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"92148"	147.066324	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"532073"	221.103124	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"909872"	73.029524	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"62308"	164.092871	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"501136"	238.129671	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"877962"	90.056071	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"43677"	169.048266	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"483602"	243.085066	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"861403"	95.011466	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1630940"	95.011466	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"102729"	91.017863	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"542288"	128.036263	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"935805"	53.999463	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"276549"	183.043002	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"666785"	257.079802	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1282467"	109.006202	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"20651"	185.022206	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"461306"	259.059006	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"834004"	110.985406	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1566975"	110.985406	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"952674"	119.034994	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"371983"	193.071801	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"350397"	207.087451	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1498137"	133.050651	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"967867"	141.016951	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"114589"	109.006202	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"561803"	146.024602	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1030603"	71.987802	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1244714"	152.955685	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1314820"	155.011672	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1327942"	176.993629	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"923375"	187.022386	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1300451"	222.999064	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1379707"	39.024124	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1396842"	57.0341	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"296896"	149.080876	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"687130"	223.117676	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1361654"	75.044076	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"135636"	75.044076	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"575927"	112.062476	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1051898"	38.025676	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"218095"	50.3651426666667	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"650727"	75.044076	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1169946"	25.6862093333333	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"426657"	166.107423	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"788014"	240.144223	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1686171"	92.070623	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"341740"	83.5573495	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"735256"	120.5757495	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1488346"	46.5389495	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"402654"	171.062818	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"767659"	245.099618	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1613934"	97.026018	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"322876"	86.035047	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"713110"	123.053447	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1471306"	49.016647	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1061272"	33.0135233333333	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1262952"	107.070286	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"388094"	187.036758	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"751644"	261.073558	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1548958"	112.999958	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"306134"	94.022017	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"701835"	131.040417	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1458571"	57.003617	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"248997"	190.107426	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1223530"	116.070626	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1209487"	58.538951	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"192639"	193.04476	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"637666"	267.08156	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1137887"	119.00796	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"176804"	97.026018	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"624018"	134.044418	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1123150"	60.007618	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1403393"	40.3408373333333	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1435509"	121.049546	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"225205"	102.05904	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1515453"	135.10159	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"419879"	105.012988	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"781970"	142.031388	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1678304"	67.994588	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"262999"	212.089368	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1238988"	138.052568	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1726424"	138.076093	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1191048"	47.6681513333333	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1665525"	143.031488	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"170351"	224.99264	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"604444"	299.02944	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1093330"	150.95584	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"153426"	112.999958	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"583146"	150.018358	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1073126"	75.981558	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1112896"	152.970392	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1341627"	153.058007	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1011251"	157.097176	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1533750"	158.090808	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"1003112"	79.052226	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1599076"	159.005428	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1421457"	189.036938	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1155024"	99.565501	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1705672"	206.063485	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1645696"	211.01888	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1582439"	226.99282	"C00937"	"(R)-Lactaldehyde;D-Lactaldehyde;D-2-Hydroxypropionaldehyde"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"802597"	282.1077	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M"	0
"977589"	263.08931	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-H2O-H"	-19.01839
"65832"	187.064524	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M-3H"	-3.021828
"513050"	281.100424	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M-3H"	-3.021828
"890860"	93.028624	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-3H"	-3.021828
"11621"	281.100424	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M-2H"	-2.014552
"454584"	422.154274	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M-2H"	-2.014552
"831657"	140.046574	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-2H"	-2.014552
"92013"	563.208124	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M-H"	-1.007276
"530722"	845.315824	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M-H"	-1.007276
"909132"	281.100424	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-H"	-1.007276
"59618"	580.234671	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M-2H+NH4"	16.019271
"496989"	862.342371	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M-2H+NH4"	16.019271
"872605"	298.126971	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-2H+NH4"	16.019271
"44153"	585.190066	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M-2H+Na"	20.974666
"482982"	867.297766	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M-2H+Na"	20.974666
"861877"	303.082366	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-2H+Na"	20.974666
"1626309"	303.082366	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Na-2H"	20.974666
"98826"	299.088763	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M-H+Cl"	33.962126
"544585"	440.142613	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M-H+Cl"	33.962126
"934821"	158.034913	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-H+Cl"	33.962126
"269732"	599.184802	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+Cl"	34.969402
"665798"	881.292502	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+Cl"	34.969402
"1274559"	317.077102	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Cl"	34.969402
"16748"	601.164006	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M-2H+K"	36.948606
"456193"	883.271706	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M-2H+K"	36.948606
"839222"	319.056306	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-2H+K"	36.948606
"1556188"	319.056306	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+K-2H"	36.948606
"949501"	327.105894	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-H+HCOOH"	44.998194
"366621"	609.213601	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+HCOOH-H"	44.998201
"349047"	623.229251	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+Hac-H"	59.013851
"1497154"	341.121551	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Hac-H"	59.013851
"966883"	349.087851	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-H+NaCOOH"	66.980151
"117979"	317.077102	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+2Cl"	69.938804
"558633"	458.130952	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+2Cl"	69.938804
"1033630"	176.023252	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2Cl"	69.938804
"1252482"	361.026585	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Br"	78.918885
"1313835"	363.082572	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Cl+HCOOH"	80.974872
"1325866"	385.064529	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Cl+NaCOOH"	102.956829
"920205"	395.093286	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M-H+CF3COOH"	112.985586
"1298009"	431.069964	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Cl+CF3COOH"	148.962264
"1380910"	247.095024	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H-2H2O"	-35.012676
"1390387"	265.105	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H-H2O"	-17.0027
"297007"	565.222676	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+H"	1.007276
"686876"	847.330376	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+H"	1.007276
"1355569"	283.114976	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H"	1.007276
"136115"	283.114976	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+2H"	2.014552
"574215"	424.168826	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+2H"	2.014552
"1047753"	142.061126	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2H"	2.014552
"213465"	189.079076	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+3H"	3.021828
"653026"	283.114976	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+3H"	3.021828
"1174795"	95.043176	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+3H"	3.021828
"431141"	582.249223	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+NH4"	18.033823
"792137"	864.356923	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+NH4"	18.033823
"1687373"	300.141523	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+NH4"	18.033823
"340026"	291.6282495	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+H+NH4"	19.041099
"729165"	432.6820995	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+H+NH4"	19.041099
"1482988"	150.5743995	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H+NH4"	19.041099
"398387"	587.204618	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+Na"	22.989218
"756103"	869.312318	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+Na"	22.989218
"1607480"	305.096918	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Na"	22.989218
"322986"	294.105947	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+H+Na"	23.996494
"720154"	435.159797	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+H+Na"	23.996494
"1473244"	153.052097	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H+Na"	23.996494
"1060292"	102.37049	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2H+Na"	25.00377
"1269630"	315.141186	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+CH3OH+H"	33.033486
"386018"	603.178558	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+K"	38.963158
"752484"	885.286258	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+K"	38.963158
"1553079"	321.070858	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+K"	38.963158
"307339"	302.092917	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+H+K"	39.970434
"701217"	443.146767	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+H+K"	39.970434
"1461002"	161.039067	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H+K"	39.970434
"249715"	606.249226	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+ACN+H"	42.033826
"1224010"	324.141526	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+ACN+H"	42.033826
"1199875"	162.574401	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+ACN+2H"	43.041102
"192745"	609.18656	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+2Na-H"	44.97116
"633761"	891.29426	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+2Na-H"	44.97116
"1135810"	327.07886	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2Na-H"	44.97116
"180194"	305.096918	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+2Na"	45.978436
"619020"	446.150768	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+2Na"	45.978436
"1119978"	164.043068	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2Na"	45.978436
"1402410"	109.697804	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H+2Na"	46.985712
"1431245"	329.120446	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H+HCOOH"	47.012746
"226408"	310.12994	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+3H2O+2H"	56.04448
"1514473"	343.17249	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+IsoProp+H"	61.06479
"416346"	313.083888	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+Na+K"	61.952376
"782448"	454.137738	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+Na+K"	61.952376
"1679510"	172.030038	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Na+K"	61.952376
"264938"	628.231168	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+ACN+Na"	64.015768
"1237649"	346.123468	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+ACN+Na"	64.015768
"1726171"	346.146993	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+NH4+HCOOH"	64.039293
"1191891"	117.025118	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+3Na"	68.967654
"1665229"	351.102388	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Na+HCOOH"	68.994688
"170100"	641.13444	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+2K-H"	76.91904
"611118"	923.24214	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+2K-H"	76.91904
"1097696"	359.02674	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2K-H"	76.91904
"148071"	321.070858	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"2M+2K"	77.926316
"587632"	462.124708	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"3M+2K"	77.926316
"1074331"	180.017008	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2K"	77.926316
"1107538"	361.041292	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2K+H"	78.933592
"1341737"	361.128907	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+DMSO+H"	79.021207
"1011361"	365.168076	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2ACN+H"	83.060376
"1536047"	366.161708	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+IsoProp+Na+H"	84.054008
"1004559"	183.087676	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+2ACN+2H"	84.067652
"1598092"	367.076328	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+K+HCOOH"	84.968628
"1419381"	397.107838	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+H+CF3COOH"	115.000138
"1147482"	203.600951	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+3ACN+2H"	125.094202
"1703595"	414.134385	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+NH4+CF3COOH"	132.026685
"1648965"	419.08978	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+Na+CF3COOH"	136.98208
"1582549"	435.06372	"C00939"	"2-Aminoadenosine"	"C10H14N6O4"	"282.1077"	"M+K+CF3COOH"	152.95602
"802101"	145.0375	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M"	0
"975023"	126.01911	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H2O-H"	-19.01839
"63154"	95.6843906666667	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-3H"	-3.021828
"516440"	144.030224	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-3H"	-3.021828
"890970"	47.3385573333333	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-3H"	-3.021828
"13921"	144.030224	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H"	-2.014552
"454333"	216.548974	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H"	-2.014552
"826907"	71.511474	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H"	-2.014552
"91273"	289.067724	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-H"	-1.007276
"531926"	434.105224	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-H"	-1.007276
"908634"	144.030224	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H"	-1.007276
"62364"	306.094271	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H+NH4"	16.019271
"494913"	451.131771	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H+NH4"	16.019271
"873808"	161.056771	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H+NH4"	16.019271
"42439"	311.049666	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H+Na"	20.974666
"481269"	456.087166	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H+Na"	20.974666
"859071"	166.012166	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H+Na"	20.974666
"1627513"	166.012166	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na-2H"	20.974666
"99665"	162.018563	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-H+Cl"	33.962126
"543603"	234.537313	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-H+Cl"	33.962126
"936026"	89.499813	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+Cl"	33.962126
"270211"	325.044402	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Cl"	34.969402
"663725"	470.081902	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+Cl"	34.969402
"1274184"	180.006902	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl"	34.969402
"20875"	327.023606	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H+K"	36.948606
"463716"	472.061106	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H+K"	36.948606
"843708"	181.986106	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H+K"	36.948606
"1563915"	181.986106	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K-2H"	36.948606
"946331"	190.035694	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+HCOOH"	44.998194
"368918"	335.073201	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+HCOOH-H"	44.998201
"350616"	349.088851	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Hac-H"	59.013851
"1497628"	204.051351	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Hac-H"	59.013851
"970275"	212.017651	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+NaCOOH"	66.980151
"122464"	180.006902	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2Cl"	69.938804
"557650"	252.525652	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2Cl"	69.938804
"1030824"	107.488152	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2Cl"	69.938804
"1248218"	223.956385	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Br"	78.918885
"1309571"	226.012372	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl+HCOOH"	80.974872
"1322696"	247.994329	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl+NaCOOH"	102.956829
"919222"	258.023086	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+CF3COOH"	112.985586
"1294840"	293.999764	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl+CF3COOH"	148.962264
"1380655"	110.024824	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H-2H2O"	-35.012676
"1397061"	128.0348	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H-H2O"	-17.0027
"297116"	291.082276	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H"	1.007276
"686984"	436.119776	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H"	1.007276
"1357866"	146.044776	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H"	1.007276
"139506"	146.044776	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2H"	2.014552
"579431"	218.563526	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2H"	2.014552
"1048591"	73.526026	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2H"	2.014552
"218679"	97.6989426666667	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+3H"	3.021828
"653136"	146.044776	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+3H"	3.021828
"1173447"	49.3531093333333	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+3H"	3.021828
"432344"	308.108823	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+NH4"	18.033823
"793340"	453.146323	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+NH4"	18.033823
"1689669"	163.071323	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+NH4"	18.033823
"337949"	154.5580495	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H+NH4"	19.041099
"730368"	227.0767995	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H+NH4"	19.041099
"1482005"	82.0392995	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+NH4"	19.041099
"397404"	313.064218	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Na"	22.989218
"760587"	458.101718	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+Na"	22.989218
"1608684"	168.026718	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na"	22.989218
"323096"	157.035747	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H+Na"	23.996494
"721360"	229.554497	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H+Na"	23.996494
"1474448"	84.516997	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+Na"	23.996494
"1060402"	56.6804233333333	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2H+Na"	25.00377
"1270837"	178.070986	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+CH3OH+H"	33.033486
"387951"	329.038158	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+K"	38.963158
"751865"	474.075658	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+K"	38.963158
"1554646"	184.000658	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K"	38.963158
"310729"	165.022717	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H+K"	39.970434
"703515"	237.541467	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H+K"	39.970434
"1460258"	92.503967	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+K"	39.970434
"250561"	332.108826	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+ACN+H"	42.033826
"1223385"	187.071326	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+ACN+H"	42.033826
"1197799"	94.039301	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+ACN+2H"	43.041102
"193945"	335.04616	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2Na-H"	44.97116
"634599"	480.08366	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2Na-H"	44.97116
"1134826"	190.00866	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2Na-H"	44.97116
"178117"	168.026718	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2Na"	45.978436
"614878"	240.545468	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2Na"	45.978436
"1118264"	95.507968	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2Na"	45.978436
"1399361"	64.0077373333333	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+2Na"	46.985712
"1431597"	192.050246	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+HCOOH"	47.012746
"221416"	173.05974	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+3H2O+2H"	56.04448
"1512396"	206.10229	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+IsoProp+H"	61.06479
"410015"	176.013688	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Na+K"	61.952376
"782558"	248.532438	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+Na+K"	61.952376
"1678889"	103.494938	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na+K"	61.952376
"263587"	354.090768	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+ACN+Na"	64.015768
"1236299"	209.053268	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+ACN+Na"	64.015768
"1726282"	209.076793	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+NH4+HCOOH"	64.039293
"1193460"	71.3350513333333	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+3Na"	68.967654
"1665177"	214.032188	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na+HCOOH"	68.994688
"170210"	366.99404	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2K-H"	76.91904
"610135"	512.03154	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2K-H"	76.91904
"1092459"	221.95654	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2K-H"	76.91904
"148181"	184.000658	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2K"	77.926316
"591021"	256.519408	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2K"	77.926316
"1078814"	111.481908	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2K"	77.926316
"1108742"	223.971092	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2K+H"	78.933592
"1341847"	224.058707	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+DMSO+H"	79.021207
"1018031"	228.097876	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2ACN+H"	83.060376
"1538344"	229.091508	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+IsoProp+Na+H"	84.054008
"1000417"	114.552576	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2ACN+2H"	84.067652
"1598202"	230.006128	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K+HCOOH"	84.968628
"1419492"	260.037638	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+CF3COOH"	115.000138
"1157435"	135.065851	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+3ACN+2H"	125.094202
"1706985"	277.064185	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+NH4+CF3COOH"	132.026685
"1648102"	282.01958	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na+CF3COOH"	136.98208
"1582659"	297.99352	"C00940"	"2-Oxoglutaramate;2-Oxoglutaramic acid;alpha-Ketoglutaramate;2-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K+CF3COOH"	152.95602
"801725"	305.0413	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M"	0
"974414"	286.02291	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-H2O-H"	-19.01839
"63492"	202.353590666667	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M-3H"	-3.021828
"516550"	304.034024	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M-3H"	-3.021828
"891080"	100.673157333333	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-3H"	-3.021828
"14881"	304.034024	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M-2H"	-2.014552
"455418"	456.554674	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M-2H"	-2.014552
"830297"	151.513374	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-2H"	-2.014552
"92113"	609.075324	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M-H"	-1.007276
"531794"	914.116624	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M-H"	-1.007276
"909474"	304.034024	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-H"	-1.007276
"62759"	626.101871	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M-2H+NH4"	16.019271
"502681"	931.143171	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M-2H+NH4"	16.019271
"875012"	321.060571	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-2H+NH4"	16.019271
"44008"	631.057266	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M-2H+Na"	20.974666
"480285"	936.098566	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M-2H+Na"	20.974666
"860274"	326.015966	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-2H+Na"	20.974666
"1628717"	326.015966	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Na-2H"	20.974666
"100869"	322.022363	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M-H+Cl"	33.962126
"544806"	474.543013	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M-H+Cl"	33.962126
"936136"	169.501713	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-H+Cl"	33.962126
"273600"	645.052002	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+Cl"	34.969402
"663835"	950.093302	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+Cl"	34.969402
"1274901"	340.010702	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Cl"	34.969402
"20985"	647.031206	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M-2H+K"	36.948606
"466013"	952.072506	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M-2H+K"	36.948606
"841629"	341.989906	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-2H+K"	36.948606
"1561838"	341.989906	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+K-2H"	36.948606
"945707"	350.039494	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-H+HCOOH"	44.998194
"372308"	655.080801	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+HCOOH-H"	44.998201
"352910"	669.096451	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+Hac-H"	59.013851
"1498466"	364.055151	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Hac-H"	59.013851
"970384"	372.021451	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-H+NaCOOH"	66.980151
"122574"	340.010702	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+2Cl"	69.938804
"558853"	492.531352	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+2Cl"	69.938804
"1030934"	187.490052	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2Cl"	69.938804
"1242495"	383.960185	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Br"	78.918885
"1307858"	386.016172	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Cl+HCOOH"	80.974872
"1322805"	407.998129	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Cl+NaCOOH"	102.956829
"920426"	418.026886	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M-H+CF3COOH"	112.985586
"1298230"	454.003564	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Cl+CF3COOH"	148.962264
"1377485"	270.028624	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H-2H2O"	-35.012676
"1397535"	288.0386	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H-H2O"	-17.0027
"298078"	611.089876	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+H"	1.007276
"690741"	916.131176	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+H"	1.007276
"1364902"	306.048576	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H"	1.007276
"139981"	306.048576	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+2H"	2.014552
"576622"	458.569226	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+2H"	2.014552
"1047244"	153.527926	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2H"	2.014552
"213685"	204.368142666667	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+3H"	3.021828
"653246"	306.048576	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+3H"	3.021828
"1174650"	102.687709333333	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+3H"	3.021828
"431361"	628.116423	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+NH4"	18.033823
"791263"	933.157723	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+NH4"	18.033823
"1687593"	323.075123	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+NH4"	18.033823
"334780"	314.5618495	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+H+NH4"	19.041099
"730478"	467.0824995	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+H+NH4"	19.041099
"1482115"	162.0411995	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H+NH4"	19.041099
"396421"	633.071818	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+Na"	22.989218
"763977"	938.113118	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+Na"	22.989218
"1613169"	328.030518	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Na"	22.989218
"322114"	317.039547	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+H+Na"	23.996494
"722317"	469.560197	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+H+Na"	23.996494
"1474556"	164.518897	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H+Na"	23.996494
"1061603"	110.015023333333	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2H+Na"	25.00377
"1262191"	338.074786	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+CH3OH+H"	33.033486
"390979"	649.045758	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+K"	38.963158
"753068"	954.087058	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+K"	38.963158
"1554390"	344.004458	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+K"	38.963158
"312661"	325.026517	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+H+K"	39.970434
"704353"	477.547167	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+H+K"	39.970434
"1458902"	172.505867	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H+K"	39.970434
"250910"	652.116426	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+ACN+H"	42.033826
"1224345"	347.075126	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+ACN+H"	42.033826
"1200094"	174.041201	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+ACN+2H"	43.041102
"197338"	655.05376	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+2Na-H"	44.97116
"634712"	960.09506	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+2Na-H"	44.97116
"1138217"	350.01246	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2Na-H"	44.97116
"178227"	328.030518	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+2Na"	45.978436
"614506"	480.551168	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+2Na"	45.978436
"1117281"	175.509868	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2Na"	45.978436
"1400564"	117.342337333333	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H+2Na"	46.985712
"1430615"	352.054046	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H+HCOOH"	47.012746
"224444"	333.06354	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+3H2O+2H"	56.04448
"1516880"	366.10609	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+IsoProp+H"	61.06479
"419847"	336.017488	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+Na+K"	61.952376
"784488"	488.538138	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+Na+K"	61.952376
"1674986"	183.496838	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Na+K"	61.952376
"264425"	674.098368	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+ACN+Na"	64.015768
"1233129"	369.057068	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+ACN+Na"	64.015768
"1726387"	369.080593	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+NH4+HCOOH"	64.039293
"1192960"	124.669651333333	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+3Na"	68.967654
"1662729"	374.035988	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Na+HCOOH"	68.994688
"172266"	687.00164	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+2K-H"	76.91904
"609152"	992.04294	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+2K-H"	76.91904
"1092569"	381.96034	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2K-H"	76.91904
"147198"	344.004458	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"2M+2K"	77.926316
"591131"	496.525108	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"3M+2K"	77.926316
"1077831"	191.483808	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2K"	77.926316
"1109945"	383.974892	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2K+H"	78.933592
"1340864"	384.062507	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+DMSO+H"	79.021207
"1013767"	388.101676	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2ACN+H"	83.060376
"1532987"	389.095308	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+IsoProp+Na+H"	84.054008
"1001620"	194.554476	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+2ACN+2H"	84.067652
"1598312"	390.009928	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+K+HCOOH"	84.968628
"1422882"	420.041438	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+H+CF3COOH"	115.000138
"1159731"	215.067751	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+3ACN+2H"	125.094202
"1707095"	437.067985	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+NH4+CF3COOH"	132.026685
"1648212"	442.02338	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+Na+CF3COOH"	136.98208
"1582769"	457.99732	"C00941"	"35-Cyclic CMP;Cytidine 35-cyclic monophosphate"	"C9H12N3O7P"	"305.0413"	"M+K+CF3COOH"	152.95602
"804022"	345.0474	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M"	0
"976825"	326.02901	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-H2O-H"	-19.01839
"64457"	229.024324	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M-3H"	-3.021828
"516660"	344.040124	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M-3H"	-3.021828
"890098"	114.008524	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-3H"	-3.021828
"11953"	344.040124	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M-2H"	-2.014552
"453580"	516.563824	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M-2H"	-2.014552
"829314"	171.516424	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-2H"	-2.014552
"91492"	689.087524	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M-H"	-1.007276
"528866"	1034.134924	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M-H"	-1.007276
"910555"	344.040124	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-H"	-1.007276
"62667"	706.114071	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+NH4"	16.019271
"496225"	1051.161471	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+NH4"	16.019271
"874028"	361.066671	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-2H+NH4"	16.019271
"45939"	711.069466	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+Na"	20.974666
"480395"	1056.116866	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+Na"	20.974666
"859291"	366.022066	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-2H+Na"	20.974666
"1625546"	366.022066	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Na-2H"	20.974666
"100980"	362.028463	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M-H+Cl"	33.962126
"543821"	534.552163	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M-H+Cl"	33.962126
"936244"	189.504763	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-H+Cl"	33.962126
"275895"	725.064202	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+Cl"	34.969402
"662486"	1070.111602	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+Cl"	34.969402
"1275614"	380.016802	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Cl"	34.969402
"21095"	727.043406	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+K"	36.948606
"466123"	1072.090806	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+K"	36.948606
"842832"	381.996006	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-2H+K"	36.948606
"1561948"	381.996006	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+K-2H"	36.948606
"944115"	390.045594	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-H+HCOOH"	44.998194
"371325"	735.093001	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+HCOOH-H"	44.998201
"353019"	749.108651	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+Hac-H"	59.013851
"1497117"	404.061251	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Hac-H"	59.013851
"966120"	412.027551	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-H+NaCOOH"	66.980151
"124749"	380.016802	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+2Cl"	69.938804
"558963"	552.540502	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+2Cl"	69.938804
"1031044"	207.493102	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2Cl"	69.938804
"1248437"	423.966285	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Br"	78.918885
"1306146"	426.022272	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+HCOOH"	80.974872
"1324736"	448.004229	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+NaCOOH"	102.956829
"920172"	458.032986	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M-H+CF3COOH"	112.985586
"1297243"	494.009664	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+CF3COOH"	148.962264
"1374315"	310.034724	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H-2H2O"	-35.012676
"1392905"	328.0447	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H-H2O"	-17.0027
"297332"	691.102076	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+H"	1.007276
"690484"	1036.149476	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+H"	1.007276
"1365375"	346.054676	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H"	1.007276
"139726"	346.054676	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+2H"	2.014552
"576003"	518.578376	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+2H"	2.014552
"1047354"	173.530976	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2H"	2.014552
"212701"	231.038876	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+3H"	3.021828
"654449"	346.054676	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+3H"	3.021828
"1174760"	116.023076	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+3H"	3.021828
"431471"	708.128623	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+NH4"	18.033823
"791372"	1053.176023	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+NH4"	18.033823
"1689889"	363.081223	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+NH4"	18.033823
"335983"	354.5679495	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+H+NH4"	19.041099
"729495"	527.0916495	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+H+NH4"	19.041099
"1483318"	182.0442495	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H+NH4"	19.041099
"396531"	713.084018	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+Na"	22.989218
"762994"	1058.131418	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+Na"	22.989218
"1612186"	368.036618	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Na"	22.989218
"323313"	357.045647	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+H+Na"	23.996494
"722308"	529.569347	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+H+Na"	23.996494
"1473937"	184.521947	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H+Na"	23.996494
"1060620"	123.35039	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2H+Na"	25.00377
"1264487"	378.080886	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+CH3OH+H"	33.033486
"391939"	729.057958	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+K"	38.963158
"754217"	1074.105358	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+K"	38.963158
"1554499"	384.010558	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+K"	38.963158
"313135"	365.032617	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+H+K"	39.970434
"705922"	537.556317	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+H+K"	39.970434
"1460106"	192.508917	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H+K"	39.970434
"251101"	732.128626	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+ACN+H"	42.033826
"1225307"	387.081226	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+H"	42.033826
"1201297"	194.044251	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+2H"	43.041102
"198542"	735.06596	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+2Na-H"	44.97116
"637008"	1080.11336	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+2Na-H"	44.97116
"1138327"	390.01856	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2Na-H"	44.97116
"177244"	368.036618	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+2Na"	45.978436
"614737"	540.560318	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+2Na"	45.978436
"1116661"	195.512918	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2Na"	45.978436
"1400552"	130.677704	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H+2Na"	46.985712
"1433762"	392.060146	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H+HCOOH"	47.012746
"225647"	373.06964	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+3H2O+2H"	56.04448
"1516990"	406.11219	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+IsoProp+H"	61.06479
"419957"	376.023588	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+Na+K"	61.952376
"779858"	548.547288	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+Na+K"	61.952376
"1676189"	203.499888	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Na+K"	61.952376
"265994"	754.110568	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+ACN+Na"	64.015768
"1236519"	409.063168	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+Na"	64.015768
"1726134"	409.086693	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+NH4+HCOOH"	64.039293
"1191856"	138.005018	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+3Na"	68.967654
"1662839"	414.042088	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Na+HCOOH"	68.994688
"171405"	767.01384	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+2K-H"	76.91904
"610355"	1112.06124	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+2K-H"	76.91904
"1092679"	421.96644	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2K-H"	76.91904
"149494"	384.010558	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"2M+2K"	77.926316
"593428"	556.534258	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"3M+2K"	77.926316
"1079034"	211.486858	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2K"	77.926316
"1108962"	423.980992	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2K+H"	78.933592
"1344255"	424.068607	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+DMSO+H"	79.021207
"1013877"	428.107776	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2ACN+H"	83.060376
"1534189"	429.101408	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+IsoProp+Na+H"	84.054008
"999543"	214.557526	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+2ACN+2H"	84.067652
"1598422"	430.016028	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+K+HCOOH"	84.968628
"1422992"	460.047538	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+H+CF3COOH"	115.000138
"1157655"	235.070801	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+3ACN+2H"	125.094202
"1707205"	477.074085	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+NH4+CF3COOH"	132.026685
"1645042"	482.02948	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+Na+CF3COOH"	136.98208
"1582879"	498.00342	"C00942"	"35-Cyclic GMP;Guanosine 35-cyclic monophosphate;Guanosine 35-cyclic phosphate;Cyclic GMP;cGMP"	"C10H12N5O7P"	"345.0474"	"M+K+CF3COOH"	152.95602
"804497"	330.0365	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M"	0
"974217"	311.01811	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-H2O-H"	-19.01839
"62863"	219.017057333333	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M-3H"	-3.021828
"513490"	329.029224	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M-3H"	-3.021828
"890206"	109.004890666667	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-3H"	-3.021828
"12062"	329.029224	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M-2H"	-2.014552
"449435"	494.047474	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M-2H"	-2.014552
"827236"	164.010974	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-2H"	-2.014552
"91602"	659.065724	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M-H"	-1.007276
"530069"	989.102224	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M-H"	-1.007276
"910991"	329.029224	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-H"	-1.007276
"62244"	676.092271	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M-2H+NH4"	16.019271
"497427"	1006.128771	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M-2H+NH4"	16.019271
"874138"	346.055771	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-2H+NH4"	16.019271
"45320"	681.047666	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M-2H+Na"	20.974666
"480505"	1011.084166	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M-2H+Na"	20.974666
"859401"	351.011166	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-2H+Na"	20.974666
"1623102"	351.011166	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Na-2H"	20.974666
"101089"	347.017563	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M-H+Cl"	33.962126
"541744"	512.035813	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M-H+Cl"	33.962126
"933074"	181.999313	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-H+Cl"	33.962126
"272725"	695.042402	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+Cl"	34.969402
"664418"	1025.078902	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+Cl"	34.969402
"1275729"	365.005902	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Cl"	34.969402
"21205"	697.021606	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M-2H+K"	36.948606
"465139"	1027.058106	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M-2H+K"	36.948606
"842942"	366.985106	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-2H+K"	36.948606
"1560234"	366.985106	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+K-2H"	36.948606
"943741"	375.034694	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-H+HCOOH"	44.998194
"367789"	705.071201	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+HCOOH-H"	44.998201
"352036"	719.086851	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+Hac-H"	59.013851
"1498320"	389.050351	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Hac-H"	59.013851
"964405"	397.016651	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-H+NaCOOH"	66.980151
"124980"	365.005902	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+2Cl"	69.938804
"559073"	530.024152	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+2Cl"	69.938804
"1031154"	199.987652	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2Cl"	69.938804
"1246724"	408.955385	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Br"	78.918885
"1306984"	411.011372	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Cl+HCOOH"	80.974872
"1324482"	432.993329	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Cl+NaCOOH"	102.956829
"919552"	443.022086	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M-H+CF3COOH"	112.985586
"1294073"	478.998764	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Cl+CF3COOH"	148.962264
"1377704"	295.023824	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H-2H2O"	-35.012676
"1392651"	313.0338	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H-H2O"	-17.0027
"298050"	661.080276	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+H"	1.007276
"689866"	991.116776	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+H"	1.007276
"1366582"	331.043776	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H"	1.007276
"140565"	331.043776	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+2H"	2.014552
"576478"	496.062026	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+2H"	2.014552
"1048557"	166.025526	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2H"	2.014552
"214998"	221.031609333333	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+3H"	3.021828
"654559"	331.043776	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+3H"	3.021828
"1172684"	111.019442666667	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+3H"	3.021828
"433767"	678.106823	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+NH4"	18.033823
"791482"	1008.143323	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+NH4"	18.033823
"1688907"	348.070323	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+NH4"	18.033823
"337186"	339.5570495	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+H+NH4"	19.041099
"732884"	504.5752995	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+H+NH4"	19.041099
"1484521"	174.5387995	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H+NH4"	19.041099
"398827"	683.062218	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+Na"	22.989218
"763104"	1013.098718	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+Na"	22.989218
"1613389"	353.025718	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Na"	22.989218
"323423"	342.034747	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+H+Na"	23.996494
"722216"	507.052997	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+H+Na"	23.996494
"1474047"	177.016497	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H+Na"	23.996494
"1059637"	118.346756666667	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2H+Na"	25.00377
"1264597"	363.069986	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+CH3OH+H"	33.033486
"391806"	699.036158	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+K"	38.963158
"754059"	1029.072658	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+K"	38.963158
"1554853"	368.999658	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+K"	38.963158
"314169"	350.021717	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+H+K"	39.970434
"705668"	515.039967	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+H+K"	39.970434
"1460459"	185.003467	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H+K"	39.970434
"250522"	702.106826	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+ACN+H"	42.033826
"1222985"	372.070326	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+ACN+H"	42.033826
"1203595"	186.538801	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+ACN+2H"	43.041102
"200838"	705.04416	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+2Na-H"	44.97116
"636025"	1035.08066	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+2Na-H"	44.97116
"1136250"	375.00766	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2Na-H"	44.97116
"180634"	353.025718	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+2Na"	45.978436
"614847"	518.043968	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+2Na"	45.978436
"1116407"	188.007468	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2Na"	45.978436
"1401755"	125.674070666667	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H+2Na"	46.985712
"1433872"	377.049246	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H+HCOOH"	47.012746
"227943"	358.05874	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+3H2O+2H"	56.04448
"1522202"	391.10129	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+IsoProp+H"	61.06479
"423225"	361.012688	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+Na+K"	61.952376
"782154"	526.030938	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+Na+K"	61.952376
"1678121"	195.994438	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Na+K"	61.952376
"264279"	724.088768	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+ACN+Na"	64.015768
"1239547"	394.052268	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+ACN+Na"	64.015768
"1727337"	394.075793	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+NH4+HCOOH"	64.039293
"1190870"	133.001384666667	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+3Na"	68.967654
"1664653"	399.031188	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Na+HCOOH"	68.994688
"167623"	736.99204	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+2K-H"	76.91904
"607184"	1067.02854	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+2K-H"	76.91904
"1092789"	406.95554	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2K-H"	76.91904
"148510"	368.999658	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"2M+2K"	77.926316
"593538"	534.017908	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"3M+2K"	77.926316
"1075864"	203.981408	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2K"	77.926316
"1112352"	408.970092	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2K+H"	78.933592
"1344365"	409.057707	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+DMSO+H"	79.021207
"1013987"	413.096876	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2ACN+H"	83.060376
"1531019"	414.090508	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+IsoProp+Na+H"	84.054008
"999653"	207.052076	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+2ACN+2H"	84.067652
"1598532"	415.005128	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+K+HCOOH"	84.968628
"1423102"	445.036638	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+H+CF3COOH"	115.000138
"1156672"	227.565351	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+3ACN+2H"	125.094202
"1707315"	462.063185	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+NH4+CF3COOH"	132.026685
"1645152"	467.01858	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+Na+CF3COOH"	136.98208
"1582989"	482.99252	"C00943"	"35-Cyclic IMP;Inosine 35-cyclic monophosphate"	"C10H11N4O7P"	"330.0365"	"M+K+CF3COOH"	152.95602
"806794"	190.0477	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M"	0
"974491"	171.02931	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-H2O-H"	-19.01839
"63826"	125.691190666667	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M-3H"	-3.021828
"513600"	189.040424	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M-3H"	-3.021828
"889223"	62.3419573333333	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-3H"	-3.021828
"11078"	189.040424	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M-2H"	-2.014552
"451730"	284.064274	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M-2H"	-2.014552
"828439"	94.016574	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-2H"	-2.014552
"86244"	379.088124	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M-H"	-1.007276
"530178"	569.135824	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M-H"	-1.007276
"911264"	189.040424	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-H"	-1.007276
"62233"	396.114671	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M-2H+NH4"	16.019271
"500575"	586.162371	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M-2H+NH4"	16.019271
"874248"	206.066971	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-2H+NH4"	16.019271
"43243"	401.070066	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M-2H+Na"	20.974666
"480616"	591.117766	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M-2H+Na"	20.974666
"858418"	211.022366	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-2H+Na"	20.974666
"1624672"	211.022366	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Na-2H"	20.974666
"99013"	207.028763	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M-H+Cl"	33.962126
"538574"	302.052613	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M-H+Cl"	33.962126
"930996"	112.004913	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-H+Cl"	33.962126
"271742"	415.064802	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+Cl"	34.969402
"661975"	605.112502	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+Cl"	34.969402
"1275475"	225.017102	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Cl"	34.969402
"21314"	417.044006	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M-2H+K"	36.948606
"461969"	607.091706	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M-2H+K"	36.948606
"843052"	226.996306	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-2H+K"	36.948606
"1559980"	226.996306	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+K-2H"	36.948606
"944947"	235.045894	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-H+HCOOH"	44.998194
"367169"	425.093601	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+HCOOH-H"	44.998201
"352147"	439.109251	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+Hac-H"	59.013851
"1499887"	249.061551	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Hac-H"	59.013851
"960503"	257.027851	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-H+NaCOOH"	66.980151
"119621"	225.017102	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+2Cl"	69.938804
"555901"	320.040952	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+2Cl"	69.938804
"1034544"	129.993252	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2Cl"	69.938804
"1249021"	268.966585	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Br"	78.918885
"1309646"	271.022572	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Cl+HCOOH"	80.974872
"1324591"	293.004529	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Cl+NaCOOH"	102.956829
"917475"	303.033286	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M-H+CF3COOH"	112.985586
"1294183"	339.009964	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Cl+CF3COOH"	148.962264
"1377814"	155.035024	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H-2H2O"	-35.012676
"1389844"	173.045	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H-H2O"	-17.0027
"297917"	381.102676	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+H"	1.007276
"690706"	571.150376	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+H"	1.007276
"1363772"	191.054976	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H"	1.007276
"137756"	191.054976	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+2H"	2.014552
"575858"	286.078826	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+2H"	2.014552
"1047573"	96.031126	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2H"	2.014552
"215108"	127.705742666667	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+3H"	3.021828
"653575"	191.054976	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+3H"	3.021828
"1173160"	64.3565093333333	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+3H"	3.021828
"431691"	398.129223	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+NH4"	18.033823
"790499"	588.176923	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+NH4"	18.033823
"1689016"	208.081523	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+NH4"	18.033823
"335110"	199.5682495	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+H+NH4"	19.041099
"731901"	294.5920995	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+H+NH4"	19.041099
"1484629"	104.5443995	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H+NH4"	19.041099
"398937"	403.084618	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+Na"	22.989218
"758840"	593.132318	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+Na"	22.989218
"1610219"	213.036918	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Na"	22.989218
"323533"	202.045947	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+H+Na"	23.996494
"722041"	297.069797	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+H+Na"	23.996494
"1473064"	107.022097	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H+Na"	23.996494
"1060841"	71.6838233333333	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2H+Na"	25.00377
"1264707"	223.081186	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+CH3OH+H"	33.033486
"386564"	419.058558	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+K"	38.963158
"752911"	609.106258	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+K"	38.963158
"1554597"	229.010858	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+K"	38.963158
"312259"	210.032917	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+H+K"	39.970434
"705777"	305.056767	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+H+K"	39.970434
"1459230"	115.009067	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H+K"	39.970434
"250386"	422.129226	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+ACN+H"	42.033826
"1223701"	232.081526	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+ACN+H"	42.033826
"1205891"	116.544401	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+ACN+2H"	43.041102
"201679"	425.06656	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+2Na-H"	44.97116
"635042"	615.11426	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+2Na-H"	44.97116
"1135268"	235.01886	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2Na-H"	44.97116
"177464"	213.036918	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+2Na"	45.978436
"614836"	308.060768	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+2Na"	45.978436
"1117368"	118.013068	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2Na"	45.978436
"1399800"	79.0111373333333	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H+2Na"	46.985712
"1432889"	237.060446	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H+HCOOH"	47.012746
"228052"	218.06994	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+3H2O+2H"	56.04448
"1520490"	251.11249	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+IsoProp+H"	61.06479
"422363"	221.023888	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+Na+K"	61.952376
"782993"	316.047738	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+Na+K"	61.952376
"1679324"	126.000038	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Na+K"	61.952376
"264024"	444.111168	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+ACN+Na"	64.015768
"1231271"	254.063468	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+ACN+Na"	64.015768
"1724531"	254.086993	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+NH4+HCOOH"	64.039293
"1187699"	86.3384513333333	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+3Na"	68.967654
"1654311"	259.042388	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Na+HCOOH"	68.994688
"158498"	457.01444	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+2K-H"	76.91904
"601826"	647.06214	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+2K-H"	76.91904
"1092898"	266.96674	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2K-H"	76.91904
"147526"	229.010858	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"2M+2K"	77.926316
"585264"	324.034708	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"3M+2K"	77.926316
"1073058"	133.987008	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2K"	77.926316
"1103349"	268.981292	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2K+H"	78.933592
"1341194"	269.068907	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+DMSO+H"	79.021207
"1015190"	273.108076	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2ACN+H"	83.060376
"1530035"	274.101708	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+IsoProp+Na+H"	84.054008
"999763"	137.057676	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+2ACN+2H"	84.067652
"1598642"	275.016328	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+K+HCOOH"	84.968628
"1423212"	305.047838	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+H+CF3COOH"	115.000138
"1157875"	157.570951	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+3ACN+2H"	125.094202
"1707425"	322.074385	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+NH4+CF3COOH"	132.026685
"1648542"	327.02978	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+Na+CF3COOH"	136.98208
"1583099"	343.00372	"C00944"	"3-Dehydroquinate;3-Dehydroquinic acid;5-Dehydroquinate;5-Dehydroquinic acid"	"C7H10O6"	"190.0477"	"M+K+CF3COOH"	152.95602
"803624"	347.0631	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M"	0
"975087"	328.04471	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H2O-H"	-19.01839
"63408"	230.368124	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-3H"	-3.021828
"514804"	346.055824	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-3H"	-3.021828
"890426"	114.680424	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-3H"	-3.021828
"13741"	346.055824	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H"	-2.014552
"452569"	519.587374	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H"	-2.014552
"829642"	172.524274	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H"	-2.014552
"91821"	693.118924	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H"	-1.007276
"532842"	1040.182024	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H"	-1.007276
"910526"	346.055824	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H"	-1.007276
"62468"	710.145471	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+NH4"	16.019271
"502801"	1057.208571	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+NH4"	16.019271
"878372"	363.082371	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+NH4"	16.019271
"45057"	715.100866	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+Na"	20.974666
"481820"	1062.163966	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+Na"	20.974666
"858528"	368.037766	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+Na"	20.974666
"1621864"	368.037766	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na-2H"	20.974666
"96936"	364.044163	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H+Cl"	33.962126
"536498"	537.575713	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H+Cl"	33.962126
"935482"	190.512613	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+Cl"	33.962126
"270759"	729.095602	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Cl"	34.969402
"662086"	1076.158702	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Cl"	34.969402
"1275585"	382.032502	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl"	34.969402
"23611"	731.074806	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+K"	36.948606
"462079"	1078.137906	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+K"	36.948606
"845349"	384.011706	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+K"	36.948606
"1563369"	384.011706	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K-2H"	36.948606
"945056"	392.061294	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+HCOOH"	44.998194
"369465"	739.124401	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+HCOOH-H"	44.998201
"354444"	753.140051	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Hac-H"	59.013851
"1497809"	406.076951	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Hac-H"	59.013851
"960978"	414.043251	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+NaCOOH"	66.980151
"115356"	382.032502	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Cl"	69.938804
"557105"	555.564052	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Cl"	69.938804
"1027000"	208.500952	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Cl"	69.938804
"1252047"	425.981985	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Br"	78.918885
"1310485"	428.037972	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+HCOOH"	80.974872
"1326524"	450.019929	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+NaCOOH"	102.956829
"913209"	460.048686	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+CF3COOH"	112.985586
"1294293"	496.025364	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+CF3COOH"	148.962264
"1376831"	312.050424	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-2H2O"	-35.012676
"1389954"	330.0604	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-H2O"	-17.0027
"298113"	695.133476	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H"	1.007276
"689720"	1042.196576	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H"	1.007276
"1364977"	348.070376	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H"	1.007276
"138958"	348.070376	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2H"	2.014552
"577427"	521.601926	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2H"	2.014552
"1048412"	174.538826	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H"	2.014552
"218868"	232.382676	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H"	3.021828
"657333"	348.070376	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+3H"	3.021828
"1176915"	116.694976	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3H"	3.021828
"437269"	712.160023	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+NH4"	18.033823
"792797"	1059.223123	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+NH4"	18.033823
"1693501"	365.096923	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4"	18.033823
"337407"	356.5836495	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+NH4"	19.041099
"732013"	530.1151995	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+NH4"	19.041099
"1486926"	183.0520995	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+NH4"	19.041099
"401234"	717.115418	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na"	22.989218
"764417"	1064.178518	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na"	22.989218
"1611423"	370.052318	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na"	22.989218
"324736"	359.061347	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+Na"	23.996494
"722640"	532.592897	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+Na"	23.996494
"1472081"	185.529797	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+Na"	23.996494
"1059857"	124.02229	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H+Na"	25.00377
"1263724"	380.096586	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+CH3OH+H"	33.033486
"386674"	733.089358	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+K"	38.963158
"752536"	1080.152458	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+K"	38.963158
"1554710"	386.026258	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K"	38.963158
"312736"	367.048317	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+K"	39.970434
"706375"	540.579867	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+K"	39.970434
"1458976"	193.516767	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+K"	39.970434
"250619"	736.160026	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+H"	42.033826
"1224177"	389.096926	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+H"	42.033826
"1206001"	195.052101	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+2H"	43.041102
"200694"	739.09736	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na-H"	44.97116
"635152"	1086.16046	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na-H"	44.97116
"1135378"	392.03426	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na-H"	44.97116
"174294"	370.052318	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na"	45.978436
"613853"	543.583868	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na"	45.978436
"1116264"	196.520768	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na"	45.978436
"1399789"	131.349604	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+2Na"	46.985712
"1432999"	394.075846	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+HCOOH"	47.012746
"227068"	375.08534	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H2O+2H"	56.04448
"1520600"	408.12789	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+H"	61.06479
"423202"	378.039288	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na+K"	61.952376
"783103"	551.570838	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na+K"	61.952376
"1679070"	204.507738	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+K"	61.952376
"265229"	758.141968	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+Na"	64.015768
"1234661"	411.078868	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+Na"	64.015768
"1722454"	411.102393	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+HCOOH"	64.039293
"1187808"	138.676918	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3Na"	68.967654
"1657701"	416.057788	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+HCOOH"	68.994688
"159459"	771.04524	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K-H"	76.91904
"605216"	1118.10834	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K-H"	76.91904
"1096288"	423.98214	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K-H"	76.91904
"144720"	386.026258	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K"	77.926316
"588290"	559.557808	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K"	77.926316
"1076084"	212.494708	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K"	77.926316
"1111478"	425.996692	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K+H"	78.933592
"1341303"	426.084307	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+DMSO+H"	79.021207
"1018580"	430.123476	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+H"	83.060376
"1533425"	431.117108	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+Na+H"	84.054008
"1003153"	215.565376	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+2H"	84.067652
"1600939"	432.031728	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+HCOOH"	84.968628
"1423321"	462.063238	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+CF3COOH"	115.000138
"1161266"	236.078651	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3ACN+2H"	125.094202
"1709722"	479.089785	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+CF3COOH"	132.026685
"1648654"	484.04518	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+CF3COOH"	136.98208
"1583209"	500.01912	"C00946"	"Adenosine 2-phosphate;2-Adenylic acid;Adenosine-2-monophosphate;AMP 2-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+CF3COOH"	152.95602
"807015"	154.0122	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M"	0
"980548"	134.99381	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-H2O-H"	-19.01839
"77180"	101.667524	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M-3H"	-3.021828
"514921"	153.004924	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M-3H"	-3.021828
"888348"	50.330124	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-3H"	-3.021828
"8015"	153.004924	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M-2H"	-2.014552
"450856"	230.011024	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M-2H"	-2.014552
"824282"	75.998824	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-2H"	-2.014552
"90835"	307.017124	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M-H"	-1.007276
"529302"	461.029324	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M-H"	-1.007276
"910267"	153.004924	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-H"	-1.007276
"61603"	324.043671	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M-2H+NH4"	16.019271
"497756"	478.055871	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M-2H+NH4"	16.019271
"878846"	170.031471	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-2H+NH4"	16.019271
"44558"	328.999066	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M-2H+Na"	20.974666
"486835"	483.011266	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M-2H+Na"	20.974666
"859731"	174.986866	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-2H+Na"	20.974666
"1629265"	174.986866	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Na-2H"	20.974666
"107981"	170.993263	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M-H+Cl"	33.962126
"540982"	247.999363	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M-H+Cl"	33.962126
"930122"	93.987163	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-H+Cl"	33.962126
"269042"	342.993802	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+Cl"	34.969402
"667663"	497.006002	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+Cl"	34.969402
"1275694"	188.981602	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Cl"	34.969402
"24811"	344.973006	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M-2H+K"	36.948606
"462190"	498.985206	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M-2H+K"	36.948606
"839990"	190.960806	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-2H+K"	36.948606
"1565667"	190.960806	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+K-2H"	36.948606
"953548"	199.010394	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-H+HCOOH"	44.998194
"374680"	353.022601	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+HCOOH-H"	44.998201
"352367"	367.038251	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+Hac-H"	59.013851
"1504480"	213.026051	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Hac-H"	59.013851
"961456"	220.992351	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-H+NaCOOH"	66.980151
"118749"	188.981602	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+2Cl"	69.938804
"556121"	265.987702	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+2Cl"	69.938804
"1029296"	111.975502	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2Cl"	69.938804
"1249968"	232.931085	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Br"	78.918885
"1313510"	234.987072	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Cl+HCOOH"	80.974872
"1326635"	256.969029	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Cl+NaCOOH"	102.956829
"915871"	266.997786	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M-H+CF3COOH"	112.985586
"1292217"	302.974464	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Cl+CF3COOH"	148.962264
"1374753"	118.999524	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H-2H2O"	-35.012676
"1387877"	137.0095	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H-H2O"	-17.0027
"297287"	309.031676	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+H"	1.007276
"682175"	463.043876	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+H"	1.007276
"1361440"	155.019476	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H"	1.007276
"138340"	155.019476	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+2H"	2.014552
"574255"	232.025576	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+2H"	2.014552
"1052455"	78.013376	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2H"	2.014552
"219182"	103.682076	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+3H"	3.021828
"657808"	155.019476	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+3H"	3.021828
"1174107"	52.344676	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+3H"	3.021828
"436285"	326.058223	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+NH4"	18.033823
"798373"	480.070423	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+NH4"	18.033823
"1696526"	172.046023	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+NH4"	18.033823
"342983"	163.5327495	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+H+NH4"	19.041099
"734309"	240.5388495	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+H+NH4"	19.041099
"1488129"	86.5266495	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H+NH4"	19.041099
"402437"	331.013618	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+Na"	22.989218
"765623"	485.025818	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+Na"	22.989218
"1615178"	177.001418	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Na"	22.989218
"328989"	166.010447	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+H+Na"	23.996494
"719827"	243.016547	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+H+Na"	23.996494
"1471095"	89.004347	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H+Na"	23.996494
"1058874"	59.67199	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2H+Na"	25.00377
"1262737"	187.045686	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+CH3OH+H"	33.033486
"380220"	346.987558	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+K"	38.963158
"746686"	500.999758	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+K"	38.963158
"1554945"	192.975358	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+K"	38.963158
"314038"	173.997417	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+H+K"	39.970434
"705633"	251.003517	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+H+K"	39.970434
"1460551"	96.991317	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H+K"	39.970434
"250243"	350.058226	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+ACN+H"	42.033826
"1212387"	196.046026	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+ACN+H"	42.033826
"1201737"	98.526651	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+ACN+2H"	43.041102
"197888"	352.99556	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+2Na-H"	44.97116
"630888"	507.00776	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+2Na-H"	44.97116
"1134027"	198.98336	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2Na-H"	44.97116
"176586"	177.001418	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+2Na"	45.978436
"616147"	254.007518	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+2Na"	45.978436
"1118558"	99.995318	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2Na"	45.978436
"1400989"	66.999304	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H+2Na"	46.985712
"1432011"	201.024946	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H+HCOOH"	47.012746
"223892"	182.03444	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+3H2O+2H"	56.04448
"1514146"	215.07699	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+IsoProp+H"	61.06479
"416021"	184.988388	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+Na+K"	61.952376
"782487"	261.994488	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+Na+K"	61.952376
"1674810"	107.982288	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Na+K"	61.952376
"259875"	372.040168	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+ACN+Na"	64.015768
"1228210"	218.027968	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+ACN+Na"	64.015768
"1718190"	218.051493	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+NH4+HCOOH"	64.039293
"1190105"	74.326618	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+3Na"	68.967654
"1662185"	223.006888	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Na+HCOOH"	68.994688
"167952"	384.94344	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+2K-H"	76.91904
"607513"	538.95564	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+2K-H"	76.91904
"1093118"	230.93124	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2K-H"	76.91904
"147747"	192.975358	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"2M+2K"	77.926316
"591681"	269.981458	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"3M+2K"	77.926316
"1079474"	115.969258	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2K"	77.926316
"1108308"	232.945792	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2K+H"	78.933592
"1346881"	233.033407	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+DMSO+H"	79.021207
"1015411"	237.072576	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2ACN+H"	83.060376
"1533536"	238.066208	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+IsoProp+Na+H"	84.054008
"1003266"	119.039926	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+2ACN+2H"	84.067652
"1597772"	238.980828	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+K+HCOOH"	84.968628
"1419056"	269.012338	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+H+CF3COOH"	115.000138
"1157000"	139.553201	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+3ACN+2H"	125.094202
"1702177"	286.038885	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+NH4+CF3COOH"	132.026685
"1642202"	290.99428	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+Na+CF3COOH"	136.98208
"1583321"	306.96822	"C00950"	"Dithioerythritol;erythro-14-Dimercapto-23-butanediol;DTE"	"C4H10O2S2"	"154.0122"	"M+K+CF3COOH"	152.95602
"803845"	272.1776	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M"	0
"980658"	253.15921	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H2O-H"	-19.01839
"77654"	180.444457333333	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-3H"	-3.021828
"513937"	271.170324	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-3H"	-3.021828
"890643"	89.7185906666667	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-3H"	-3.021828
"7032"	271.170324	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H"	-2.014552
"448779"	407.259124	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H"	-2.014552
"824392"	135.081524	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H"	-2.014552
"87665"	543.347924	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-H"	-1.007276
"527225"	815.525524	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-H"	-1.007276
"910374"	271.170324	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H"	-1.007276
"61954"	560.374471	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+NH4"	16.019271
"497866"	832.552071	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+NH4"	16.019271
"879317"	288.196871	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+NH4"	16.019271
"43575"	565.329866	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+Na"	20.974666
"482041"	837.507466	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+Na"	20.974666
"857654"	293.152266	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+Na"	20.974666
"1627188"	293.152266	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na-2H"	20.974666
"105905"	289.158663	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-H+Cl"	33.962126
"541092"	425.247463	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-H+Cl"	33.962126
"928774"	153.069863	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+Cl"	33.962126
"268056"	579.324602	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Cl"	34.969402
"663399"	851.502202	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+Cl"	34.969402
"1274830"	307.147002	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl"	34.969402
"21641"	581.303806	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+K"	36.948606
"457923"	853.481406	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+K"	36.948606
"837911"	309.126206	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+K"	36.948606
"1562497"	309.126206	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K-2H"	36.948606
"952565"	317.175794	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+HCOOH"	44.998194
"370779"	589.353401	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+HCOOH-H"	44.998201
"355758"	603.369051	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Hac-H"	59.013851
"1504590"	331.191451	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Hac-H"	59.013851
"964482"	339.157751	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+NaCOOH"	66.980151
"122139"	307.147002	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Cl"	69.938804
"556231"	443.235802	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Cl"	69.938804
"1030499"	171.058202	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2Cl"	69.938804
"1252265"	351.096485	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Br"	78.918885
"1313621"	353.152472	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+HCOOH"	80.974872
"1323462"	375.134429	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+NaCOOH"	102.956829
"915614"	385.163186	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+CF3COOH"	112.985586
"1291593"	421.139864	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+CF3COOH"	148.962264
"1377050"	237.164924	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H-2H2O"	-35.012676
"1390901"	255.1749	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H-H2O"	-17.0027
"286579"	545.362476	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H"	1.007276
"679002"	817.540076	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H"	1.007276
"1364831"	273.184876	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H"	1.007276
"135898"	273.184876	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2H"	2.014552
"578011"	409.273676	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2H"	2.014552
"1048631"	137.096076	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2H"	2.014552
"217261"	182.459009333333	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+3H"	3.021828
"657190"	273.184876	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+3H"	3.021828
"1174945"	91.7331426666667	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+3H"	3.021828
"436394"	562.389023	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+NH4"	18.033823
"798119"	834.566623	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+NH4"	18.033823
"1694453"	290.211423	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4"	18.033823
"343095"	281.6981495	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+NH4"	19.041099
"732233"	417.7869495	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+NH4"	19.041099
"1486053"	145.6093495	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+NH4"	19.041099
"402547"	567.344418	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Na"	22.989218
"767920"	839.522018	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+Na"	22.989218
"1616017"	295.166818	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na"	22.989218
"328975"	284.175847	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+Na"	23.996494
"721520"	420.264647	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+Na"	23.996494
"1474487"	148.087047	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+Na"	23.996494
"1060075"	99.0604566666667	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2H+Na"	25.00377
"1260660"	305.211086	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+CH3OH+H"	33.033486
"379964"	583.318358	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+K"	38.963158
"743515"	855.495958	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+K"	38.963158
"1545568"	311.140758	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K"	38.963158
"312589"	292.162817	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+K"	39.970434
"699540"	428.251617	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+K"	39.970434
"1457736"	156.074017	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+K"	39.970434
"249624"	586.389026	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+ACN+H"	42.033826
"1210429"	314.211426	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+H"	42.033826
"1204035"	157.609351	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+2H"	43.041102
"196905"	589.32636	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Na-H"	44.97116
"632091"	861.50396	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Na-H"	44.97116
"1133409"	317.14876	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2Na-H"	44.97116
"175968"	295.166818	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Na"	45.978436
"615165"	431.255618	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Na"	45.978436
"1117576"	159.078018	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2Na"	45.978436
"1402190"	106.387770666667	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+2Na"	46.985712
"1430339"	319.190346	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+HCOOH"	47.012746
"224003"	300.19984	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+3H2O+2H"	56.04448
"1510977"	333.24239	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+H"	61.06479
"412851"	303.153788	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Na+K"	61.952376
"782598"	439.242588	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+Na+K"	61.952376
"1678201"	167.064988	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+K"	61.952376
"261808"	608.370968	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+ACN+Na"	64.015768
"1232329"	336.193368	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+Na"	64.015768
"1721580"	336.216893	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4+HCOOH"	64.039293
"1189122"	113.715084666667	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+3Na"	68.967654
"1661202"	341.172288	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+HCOOH"	68.994688
"164782"	621.27424	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2K-H"	76.91904
"608717"	893.45184	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2K-H"	76.91904
"1093228"	349.09664	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2K-H"	76.91904
"147857"	311.140758	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2K"	77.926316
"591791"	447.229558	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2K"	77.926316
"1079584"	175.051958	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2K"	77.926316
"1108418"	351.111192	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2K+H"	78.933592
"1346991"	351.198807	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+DMSO+H"	79.021207
"1015521"	355.237976	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2ACN+H"	83.060376
"1533646"	356.231608	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+Na+H"	84.054008
"1003376"	178.122626	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2ACN+2H"	84.067652
"1597882"	357.146228	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K+HCOOH"	84.968628
"1421353"	387.177738	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+CF3COOH"	115.000138
"1157110"	198.635901	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+3ACN+2H"	125.094202
"1702287"	404.204285	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4+CF3COOH"	132.026685
"1642312"	409.15968	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+CF3COOH"	136.98208
"1583431"	425.13362	"C00951"	"Estradiol-17beta;Estradiol;beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K+CF3COOH"	152.95602
"812704"	175.0633	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M"	0
"988675"	156.04491	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"70113"	115.701590666667	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"512954"	174.056024	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"886379"	57.3471573333333	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"3861"	174.056024	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"452169"	261.587674	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"827784"	86.524374	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"89962"	349.119324	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"529522"	524.182624	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"909148"	174.056024	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"61823"	366.145871	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"501869"	541.209171	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"877238"	191.082571	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"43684"	371.101266	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"481055"	546.164566	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"857764"	196.037966	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1625110"	196.037966	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"100547"	192.044363	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"539016"	279.576013	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"931438"	104.512713	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"273275"	385.096002	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"662417"	560.159302	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1281380"	210.032702	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"25031"	387.075206	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"462409"	562.138506	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"836931"	212.011906	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1563701"	212.011906	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"952675"	220.061494	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"367611"	395.124801	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"348214"	409.140451	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1495957"	234.077151	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"964593"	242.043451	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"121156"	210.032702	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"554154"	297.564352	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1028422"	122.501052	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1251282"	253.982185	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1313729"	256.038172	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1329041"	278.020129	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"919006"	288.048886	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1291342"	324.025564	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1369499"	140.050624	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1388095"	158.0606	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"287783"	351.133876	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"682392"	526.197176	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1363846"	176.070576	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"135642"	176.070576	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"577023"	263.602226	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1049470"	88.538926	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"217735"	117.716142666667	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"658026"	176.070576	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1176517"	59.3617093333333	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"436505"	368.160423	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"796408"	543.223723	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1691644"	193.097123	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"341016"	184.5838495	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"732343"	272.1154995	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1488351"	97.0521995	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"404845"	373.115818	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"765841"	548.179118	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1615767"	198.052518	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"327991"	187.061547	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"713125"	274.593197	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1470222"	99.529897	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1059095"	66.6890233333333	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1264051"	208.096786	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"379346"	389.089758	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"743625"	564.153058	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1555547"	214.026458	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"309054"	195.048517	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"706667"	282.580167	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1460405"	107.516867	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"239900"	392.160426	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1213701"	217.097126	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1198677"	109.052201	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"189966"	395.09776	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"631107"	570.16106	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1136796"	220.03446	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"175714"	198.052518	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"616367"	285.584168	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1117684"	110.520868	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1401210"	74.0163373333333	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1430409"	222.076046	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"226306"	203.08554	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1510358"	236.12809	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"419524"	206.039488	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"781981"	293.571138	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1675395"	118.507838	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"259002"	414.142368	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1236084"	239.079068	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1721324"	239.102593	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1187771"	81.3436513333333	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1661311"	244.057988	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"163799"	427.04564	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"605545"	602.10894	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1099413"	251.98234	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"155498"	214.026458	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"594086"	301.558108	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1077505"	126.494808	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1114483"	253.996892	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1349287"	254.084507	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1016723"	258.123676	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1537036"	259.117308	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"1003486"	129.565476	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1602001"	260.031928	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1428752"	290.063438	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1157218"	150.078751	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1711143"	307.089985	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1636955"	312.04538	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1583542"	328.01932	"C00954"	"Indole-3-acetate;Indole-3-acetic acid;(Indol-3-yl)acetate;Indoleacetate;Indoleacetic acid;IAA"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"815369"	161.0841	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M"	0
"988545"	142.06571	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-H2O-H"	-19.01839
"73504"	106.382124	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M-3H"	-3.021828
"517438"	160.076824	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M-3H"	-3.021828
"891960"	52.687424	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-3H"	-3.021828
"11628"	160.076824	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M-2H"	-2.014552
"450094"	240.618874	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M-2H"	-2.014552
"829718"	79.534774	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-2H"	-2.014552
"90072"	321.160924	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M-H"	-1.007276
"529632"	482.245024	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M-H"	-1.007276
"910109"	160.076824	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-H"	-1.007276
"61445"	338.187471	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M-2H+NH4"	16.019271
"499668"	499.271571	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M-2H+NH4"	16.019271
"875890"	177.103371	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-2H+NH4"	16.019271
"40514"	343.142866	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M-2H+Na"	20.974666
"478980"	504.226966	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M-2H+Na"	20.974666
"857874"	182.058766	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-2H+Na"	20.974666
"1624127"	182.058766	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Na-2H"	20.974666
"101751"	178.065163	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M-H+Cl"	33.962126
"534585"	258.607213	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M-H+Cl"	33.962126
"927694"	97.523113	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-H+Cl"	33.962126
"272292"	357.137602	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+Cl"	34.969402
"667993"	518.221702	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+Cl"	34.969402
"1274929"	196.053502	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Cl"	34.969402
"25141"	359.116806	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M-2H+K"	36.948606
"462519"	520.200906	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M-2H+K"	36.948606
"840321"	198.032706	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-2H+K"	36.948606
"1565998"	198.032706	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+K-2H"	36.948606
"949505"	206.082294	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-H+HCOOH"	44.998194
"367722"	367.166401	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+HCOOH-H"	44.998201
"348690"	381.182051	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+Hac-H"	59.013851
"1497160"	220.097951	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Hac-H"	59.013851
"971265"	228.064251	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-H+NaCOOH"	66.980151
"122361"	196.053502	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+2Cl"	69.938804
"559733"	276.595552	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+2Cl"	69.938804
"1035093"	115.511452	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2Cl"	69.938804
"1253218"	240.002985	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Br"	78.918885
"1316028"	242.058972	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Cl+HCOOH"	80.974872
"1326965"	264.040929	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Cl+NaCOOH"	102.956829
"919116"	274.069686	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M-H+CF3COOH"	112.985586
"1292545"	310.046364	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Cl+CF3COOH"	148.962264
"1369611"	126.071424	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H-2H2O"	-35.012676
"1383830"	144.0814	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H-H2O"	-17.0027
"285704"	323.175476	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+H"	1.007276
"683597"	484.259576	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+H"	1.007276
"1363956"	162.091376	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H"	1.007276
"136846"	162.091376	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+2H"	2.014552
"576405"	242.633426	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+2H"	2.014552
"1050675"	81.549326	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2H"	2.014552
"217605"	108.396676	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+3H"	3.021828
"657045"	162.091376	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+3H"	3.021828
"1176259"	54.701976	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+3H"	3.021828
"434794"	340.202023	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+NH4"	18.033823
"798706"	501.286123	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+NH4"	18.033823
"1692485"	179.117923	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+NH4"	18.033823
"341127"	170.6046495	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+H+NH4"	19.041099
"732453"	251.1466995	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+H+NH4"	19.041099
"1487733"	90.0625995	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H+NH4"	19.041099
"404227"	345.157418	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+Na"	22.989218
"765223"	506.241518	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+Na"	22.989218
"1615149"	184.073318	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Na"	22.989218
"327375"	173.082347	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+H+Na"	23.996494
"712139"	253.624397	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+H+Na"	23.996494
"1468143"	92.540297	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H+Na"	23.996494
"1057382"	62.02929	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2H+Na"	25.00377
"1261975"	194.117586	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+CH3OH+H"	33.033486
"377876"	361.131358	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+K"	38.963158
"743735"	522.215458	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+K"	38.963158
"1555563"	200.047258	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+K"	38.963158
"309528"	181.069317	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+H+K"	39.970434
"705964"	261.611367	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+H+K"	39.970434
"1453586"	100.527267	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H+K"	39.970434
"246567"	364.202026	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+ACN+H"	42.033826
"1215998"	203.117926	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+ACN+H"	42.033826
"1202069"	102.062601	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+ACN+2H"	43.041102
"194938"	367.13936	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+2Na-H"	44.97116
"633405"	528.22346	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+2Na-H"	44.97116
"1133750"	206.05526	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2Na-H"	44.97116
"173757"	184.073318	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+2Na"	45.978436
"616475"	264.615368	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+2Na"	45.978436
"1116946"	103.531268	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2Na"	45.978436
"1401319"	69.356604	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H+2Na"	46.985712
"1432342"	208.096846	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H+HCOOH"	47.012746
"224229"	189.10634	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+3H2O+2H"	56.04448
"1509617"	222.14889	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+IsoProp+H"	61.06479
"419634"	192.060288	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+Na+K"	61.952376
"784279"	272.602338	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+Na+K"	61.952376
"1676963"	111.518238	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Na+K"	61.952376
"259112"	386.183968	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+ACN+Na"	64.015768
"1235101"	225.099868	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+ACN+Na"	64.015768
"1721798"	225.123393	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+NH4+HCOOH"	64.039293
"1188246"	76.683918	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+3Na"	68.967654
"1660328"	230.078788	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Na+HCOOH"	68.994688
"167189"	399.08724	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+2K-H"	76.91904
"605655"	560.17134	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+2K-H"	76.91904
"1099644"	238.00314	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2K-H"	76.91904
"155608"	200.047258	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"2M+2K"	77.926316
"592009"	280.589308	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"3M+2K"	77.926316
"1078709"	119.505208	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2K"	77.926316
"1115326"	240.017692	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2K+H"	78.933592
"1349033"	240.105307	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+DMSO+H"	79.021207
"1017927"	244.144476	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2ACN+H"	83.060376
"1531678"	245.138108	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+IsoProp+Na+H"	84.054008
"1003596"	122.575876	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+2ACN+2H"	84.067652
"1602398"	246.052728	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+K+HCOOH"	84.968628
"1427039"	276.084238	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+H+CF3COOH"	115.000138
"1156234"	143.089151	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+3ACN+2H"	125.094202
"1711254"	293.110785	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+NH4+CF3COOH"	132.026685
"1639251"	298.06618	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+Na+CF3COOH"	136.98208
"1583652"	314.04012	"C00955"	"Indole-3-ethanol;Tryptophol"	"C10H11NO"	"161.0841"	"M+K+CF3COOH"	152.95602
"812924"	161.0688	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M"	0
"987556"	142.05041	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"73615"	106.371924	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"513176"	160.061524	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"889883"	52.682324	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"7363"	160.061524	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"448018"	240.595924	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"826912"	79.527124	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"89089"	321.130324	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"524276"	482.199124	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"909246"	160.061524	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"59730"	338.156871	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"500019"	499.225671	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"870532"	177.088071	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"37339"	343.112266	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"477996"	504.181066	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"854704"	182.043466	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1619864"	182.043466	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"94892"	178.049863	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"534652"	258.584263	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"927195"	97.515463	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"270579"	357.107002	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"659950"	518.175802	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1273936"	196.038202	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"15807"	359.086206	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"460442"	520.155006	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"837151"	198.017406	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1567201"	198.017406	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"949615"	206.066994	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"367832"	367.135801	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"349163"	381.151451	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1494350"	220.082651	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"969188"	228.048951	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"119190"	196.038202	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"553283"	276.572602	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1025363"	115.503802	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1251503"	239.987685	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1316137"	242.043672	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1332544"	264.025629	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"923965"	274.054386	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1295934"	310.031064	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1369721"	126.056124	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1385034"	144.0661	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"284721"	323.144876	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"684799"	484.213676	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1364066"	162.076076	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"136956"	162.076076	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"576515"	242.610476	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1051271"	81.541676	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"217593"	108.386476	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"657152"	162.076076	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1174911"	54.696876	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"435268"	340.171423	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"798816"	501.240223	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1692595"	179.102623	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"341237"	170.5893495	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"732563"	251.1237495	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1487478"	90.0549495	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"405430"	345.126818	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"765697"	506.195618	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1614165"	184.058018	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"326635"	173.067047	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"712249"	253.601447	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1468253"	92.532647	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1057128"	62.02419	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1263178"	194.102286	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"379565"	361.100758	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"741658"	522.169558	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1549910"	200.031958	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"309638"	181.054017	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"702793"	261.588417	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1451510"	100.519617	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"243396"	364.171426	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1215014"	203.102626	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1201083"	102.054951	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"196141"	367.10876	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"631328"	528.17756	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1131502"	206.03996	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"172855"	184.058018	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"613055"	264.592418	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1115875"	103.523618	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1398915"	69.351504	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1430058"	208.081546	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"222153"	189.09104	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1508534"	222.13359	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"416464"	192.044988	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"783903"	272.579388	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1679626"	111.510588	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"259222"	386.153368	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1233025"	225.084568	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1719721"	225.108093	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1190179"	76.678818	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1657157"	230.063488	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"168393"	399.05664	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"611231"	560.12544	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1093555"	237.98784	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"151465"	200.031958	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"588838"	280.566358	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1076632"	119.497558	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1115394"	240.002392	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1347320"	240.090007	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1011477"	244.129176	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1529602"	245.122808	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"1003585"	122.568226	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1602220"	246.037428	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1426056"	276.068938	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1157438"	143.081501	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1711364"	293.095485	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1638268"	298.05088	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1583762"	314.02482	"C00956"	"L-2-Aminoadipate;L-alpha-Aminoadipate;L-alpha-Aminoadipic acid;L-2-Aminoadipic acid;L-2-Aminohexanedioate"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"814127"	119.9881	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M"	0
"989882"	100.96971	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-H2O-H"	-19.01839
"77004"	78.9847906666667	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M-3H"	-3.021828
"515469"	118.980824	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M-3H"	-3.021828
"889994"	38.9887573333333	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-3H"	-3.021828
"9660"	118.980824	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M-2H"	-2.014552
"451408"	178.974874	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M-2H"	-2.014552
"827022"	58.986774	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-2H"	-2.014552
"87012"	238.968924	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M-H"	-1.007276
"525478"	358.957024	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M-H"	-1.007276
"909720"	118.980824	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-H"	-1.007276
"60570"	255.995471	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M-2H+NH4"	16.019271
"500740"	375.983571	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M-2H+NH4"	16.019271
"873558"	136.007371	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-2H+NH4"	16.019271
"39636"	260.950866	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M-2H+Na"	20.974666
"477012"	380.938966	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M-2H+Na"	20.974666
"853719"	140.962766	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-2H+Na"	20.974666
"1621066"	140.962766	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Na-2H"	20.974666
"95528"	136.969163	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M-H+Cl"	33.962126
"536058"	196.963213	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M-H+Cl"	33.962126
"928358"	76.975113	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-H+Cl"	33.962126
"270689"	274.945602	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+Cl"	34.969402
"661283"	394.933702	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+Cl"	34.969402
"1273442"	154.957502	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Cl"	34.969402
"16488"	276.924806	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M-2H+K"	36.948606
"460552"	396.912906	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M-2H+K"	36.948606
"837261"	156.936706	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-2H+K"	36.948606
"1566218"	156.936706	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+K-2H"	36.948606
"949725"	164.986294	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-H+HCOOH"	44.998194
"367942"	284.974401	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+HCOOH-H"	44.998201
"348180"	298.990051	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+Hac-H"	59.013851
"1497010"	179.001951	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Hac-H"	59.013851
"959934"	186.968251	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-H+NaCOOH"	66.980151
"116019"	154.957502	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+2Cl"	69.938804
"554121"	214.951552	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+2Cl"	69.938804
"1026201"	94.963452	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2Cl"	69.938804
"1248332"	198.906985	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Br"	78.918885
"1316247"	200.962972	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Cl+HCOOH"	80.974872
"1333748"	222.944929	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Cl+NaCOOH"	102.956829
"924803"	232.973686	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M-H+CF3COOH"	112.985586
"1296044"	268.950364	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Cl+CF3COOH"	148.962264
"1369831"	84.975424	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H-2H2O"	-35.012676
"1388425"	102.9854	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H-H2O"	-17.0027
"284465"	240.983476	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+H"	1.007276
"682722"	360.971576	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+H"	1.007276
"1360166"	120.995376	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H"	1.007276
"138158"	120.995376	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+2H"	2.014552
"575167"	180.989426	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+2H"	2.014552
"1051623"	61.001326	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2H"	2.014552
"217700"	80.9993426666667	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+3H"	3.021828
"657624"	120.995376	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+3H"	3.021828
"1175385"	41.0033093333333	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+3H"	3.021828
"434649"	258.010023	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+NH4"	18.033823
"798561"	377.998123	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+NH4"	18.033823
"1693068"	138.021923	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+NH4"	18.033823
"341346"	129.5086495	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+H+NH4"	19.041099
"731580"	189.5026995	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+H+NH4"	19.041099
"1487588"	69.5145995	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H+NH4"	19.041099
"405540"	262.965418	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+Na"	22.989218
"767629"	382.953518	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+Na"	22.989218
"1617801"	142.977318	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Na"	22.989218
"327960"	131.986347	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+H+Na"	23.996494
"713452"	191.980397	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+H+Na"	23.996494
"1467272"	71.992297	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H+Na"	23.996494
"1057238"	48.3306233333333	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2H+Na"	25.00377
"1261103"	153.021586	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+CH3OH+H"	33.033486
"380770"	278.939358	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+K"	38.963158
"739580"	398.927458	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+K"	38.963158
"1550384"	158.951258	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+K"	38.963158
"309748"	139.973317	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+H+K"	39.970434
"704360"	199.967367	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+H+K"	39.970434
"1453806"	79.979267	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H+K"	39.970434
"242412"	282.010026	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+ACN+H"	42.033826
"1214031"	162.021926	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+ACN+H"	42.033826
"1197913"	81.514601	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+ACN+2H"	43.041102
"194064"	284.94736	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+2Na-H"	44.97116
"631437"	404.93546	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+2Na-H"	44.97116
"1132022"	164.95926	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2Na-H"	44.97116
"173368"	142.977318	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+2Na"	45.978436
"613170"	202.971368	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+2Na"	45.978436
"1115837"	82.983268	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2Na"	45.978436
"1398460"	55.6579373333333	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H+2Na"	46.985712
"1430020"	167.000846	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H+HCOOH"	47.012746
"222263"	148.01034	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+3H2O+2H"	56.04448
"1508452"	181.05289	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+IsoProp+H"	61.06479
"415481"	150.964288	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+Na+K"	61.952376
"784257"	210.958338	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+Na+K"	61.952376
"1680345"	90.970238	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Na+K"	61.952376
"258238"	303.991968	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+ACN+Na"	64.015768
"1235322"	184.003868	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+ACN+Na"	64.015768
"1723111"	184.027393	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+NH4+HCOOH"	64.039293
"1193084"	62.9852513333333	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+3Na"	68.967654
"1659454"	188.982788	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Na+HCOOH"	68.994688
"169596"	316.89524	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+2K-H"	76.91904
"611829"	436.88334	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+2K-H"	76.91904
"1098648"	196.90714	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2K-H"	76.91904
"153762"	158.951258	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"2M+2K"	77.926316
"593322"	218.945308	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"3M+2K"	77.926316
"1076742"	98.957208	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2K"	77.926316
"1113234"	198.921692	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2K+H"	78.933592
"1349375"	199.009307	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+DMSO+H"	79.021207
"1014867"	203.048476	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2ACN+H"	83.060376
"1530805"	204.042108	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+IsoProp+Na+H"	84.054008
"1002723"	102.027876	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+2ACN+2H"	84.067652
"1599414"	204.956728	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+K+HCOOH"	84.968628
"1426166"	234.988238	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+H+CF3COOH"	115.000138
"1155361"	122.541151	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+3ACN+2H"	125.094202
"1711474"	252.014785	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+NH4+CF3COOH"	132.026685
"1639472"	256.97018	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+Na+CF3COOH"	136.98208
"1583872"	272.94412	"C00957"	"Mercaptopyruvate;3-Mercaptopyruvic acid;3-Mercaptopyruvate"	"C3H4O3S"	"119.9881"	"M+K+CF3COOH"	152.95602
"810957"	336.2301	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M"	0
"989400"	317.21171	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"77115"	223.146124	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"516676"	335.222824	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"894356"	111.069424	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"14511"	335.222824	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"452614"	503.337874	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"830415"	167.107774	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"90403"	671.452924	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"529963"	1007.683024	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"910440"	335.222824	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"60803"	688.479471	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"502796"	1024.709571	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"878043"	352.249371	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"43026"	693.434866	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"482587"	1029.664966	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"859297"	357.204766	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1623362"	357.204766	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"95518"	353.211163	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"536535"	521.326213	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"928954"	185.096113	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"269339"	707.429602	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"661028"	1043.659702	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1278544"	371.199502	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"29488"	709.408806	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"462850"	1045.638906	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"840651"	373.178706	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1564142"	373.178706	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"954213"	381.228294	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"365867"	717.458401	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"350846"	731.474051	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1496397"	395.243951	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"963578"	403.210251	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"112117"	371.199502	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"553866"	539.314552	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1028862"	203.084452	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1252814"	415.148985	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1308701"	417.204972	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1326200"	439.186929	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"916163"	449.215686	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1290687"	485.192364	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1369938"	301.217424	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1384521"	319.2274	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"287127"	673.467476	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"677726"	1009.697576	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1352984"	337.237376	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"134257"	337.237376	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"571630"	505.352426	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1049544"	169.122326	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"217811"	225.160676	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"655548"	337.237376	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1172579"	113.083976	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"435852"	690.494023	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"799400"	1026.724123	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1693178"	354.263923	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"339269"	345.7506495	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"734970"	513.8656995	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1489886"	177.6355995	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"403098"	695.449418	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"767739"	1031.679518	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1617665"	359.219318	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"323327"	348.228347	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"720123"	516.343397	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1467382"	180.113297	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1057346"	120.41129	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1263399"	369.263586	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"380882"	711.423358	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"740783"	1047.653458	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1550494"	375.193258	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"312774"	356.215317	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"703376"	524.330367	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1453919"	188.100267	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"238150"	714.494026	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1211951"	378.263926	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1195106"	189.635601	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"190162"	717.43136	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"631546"	1053.66146	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1132010"	381.20126	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"173354"	359.219318	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"613396"	527.334368	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1116301"	191.104268	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1399338"	127.738604	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1430483"	383.242846	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"222373"	364.25234	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1509342"	397.29489	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"417779"	367.206288	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"780599"	535.321338	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1675107"	199.091238	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"258348"	736.475968	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1235430"	400.245868	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1723952"	400.269393	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1191858"	135.065918	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1661751"	405.224788	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"169706"	749.37924	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"610358"	1085.60934	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1094871"	413.14914	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"151686"	375.193258	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"596473"	543.308308	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1083742"	207.078208	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1114318"	415.163692	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1348635"	415.251307	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1017162"	419.290476	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1525812"	420.284108	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"1002833"	210.148876	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1600259"	421.198728	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1427737"	451.230238	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1161551"	230.662151	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1710859"	468.256785	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1646142"	473.21218	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1583983"	489.18612	"C00959"	"Prostaglandin B1;PGB1"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"816545"	324.0634	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M"	0
"989727"	305.04501	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-H2O-H"	-19.01839
"76131"	215.034990666667	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M-3H"	-3.021828
"515693"	323.056124	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M-3H"	-3.021828
"893495"	107.013857333333	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-3H"	-3.021828
"15356"	323.056124	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M-2H"	-2.014552
"454909"	485.087824	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M-2H"	-2.014552
"832268"	161.024424	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-2H"	-2.014552
"92950"	647.119524	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M-H"	-1.007276
"532753"	971.182924	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M-H"	-1.007276
"910431"	323.056124	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-H"	-1.007276
"61038"	664.146071	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M-2H+NH4"	16.019271
"501935"	988.209471	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M-2H+NH4"	16.019271
"878767"	340.082671	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-2H+NH4"	16.019271
"42050"	669.101466	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M-2H+Na"	20.974666
"480516"	993.164866	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M-2H+Na"	20.974666
"853942"	345.038066	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-2H+Na"	20.974666
"1623478"	345.038066	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Na-2H"	20.974666
"97817"	341.044463	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M-H+Cl"	33.962126
"538474"	503.076163	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M-H+Cl"	33.962126
"930897"	179.012763	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-H+Cl"	33.962126
"271642"	683.096202	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+Cl"	34.969402
"661511"	1007.159602	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+Cl"	34.969402
"1286312"	359.032802	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Cl"	34.969402
"23399"	685.075406	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M-2H+K"	36.948606
"466241"	1009.138806	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M-2H+K"	36.948606
"846959"	361.012006	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-2H+K"	36.948606
"1570449"	361.012006	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+K-2H"	36.948606
"952137"	369.061594	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-H+HCOOH"	44.998194
"371444"	693.125001	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+HCOOH-H"	44.998201
"349857"	707.140651	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+Hac-H"	59.013851
"1495782"	383.077251	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Hac-H"	59.013851
"962229"	391.043551	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-H+NaCOOH"	66.980151
"119519"	359.032802	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+2Cl"	69.938804
"556895"	521.064502	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+2Cl"	69.938804
"1028973"	197.001102	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2Cl"	69.938804
"1249644"	402.982285	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Br"	78.918885
"1315374"	405.038272	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Cl+HCOOH"	80.974872
"1331776"	427.020229	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Cl+NaCOOH"	102.956829
"914090"	437.048986	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M-H+CF3COOH"	112.985586
"1290799"	473.025664	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Cl+CF3COOH"	148.962264
"1369689"	289.050724	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H-2H2O"	-35.012676
"1388643"	307.0607	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H-H2O"	-17.0027
"285050"	649.134076	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+H"	1.007276
"678566"	973.197476	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+H"	1.007276
"1359292"	325.070676	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H"	1.007276
"137284"	325.070676	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+2H"	2.014552
"579399"	487.102376	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+2H"	2.014552
"1049655"	163.038976	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2H"	2.014552
"218533"	217.049542666667	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+3H"	3.021828
"658211"	325.070676	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+3H"	3.021828
"1176338"	109.028409333333	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+3H"	3.021828
"437789"	666.160623	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+NH4"	18.033823
"799512"	990.224023	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+NH4"	18.033823
"1695843"	342.097223	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+NH4"	18.033823
"342295"	333.5839495	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+H+NH4"	19.041099
"735081"	495.6156495	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+H+NH4"	19.041099
"1487813"	171.5522495	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H+NH4"	19.041099
"406126"	671.116018	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+Na"	22.989218
"764207"	995.179418	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+Na"	22.989218
"1615593"	347.052618	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Na"	22.989218
"324532"	336.061647	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+H+Na"	23.996494
"720235"	498.093347	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+H+Na"	23.996494
"1472961"	174.029947	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H+Na"	23.996494
"1064018"	116.355723333333	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2H+Na"	25.00377
"1265697"	357.096886	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+CH3OH+H"	33.033486
"385367"	687.089958	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+K"	38.963158
"749644"	1011.153358	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+K"	38.963158
"1552792"	363.026558	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+K"	38.963158
"312157"	344.048617	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+H+K"	39.970434
"701301"	506.080317	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+H+K"	39.970434
"1450749"	182.016917	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H+K"	39.970434
"238261"	690.160626	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+ACN+H"	42.033826
"1211088"	366.097226	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+ACN+H"	42.033826
"1196309"	183.552251	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+ACN+2H"	43.041102
"190637"	693.09796	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+2Na-H"	44.97116
"634935"	1017.16136	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+2Na-H"	44.97116
"1135159"	369.03456	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2Na-H"	44.97116
"174072"	347.052618	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+2Na"	45.978436
"614363"	509.084318	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+2Na"	45.978436
"1118356"	185.020918	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2Na"	45.978436
"1400176"	123.683037333333	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H+2Na"	46.985712
"1433876"	371.076146	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H+HCOOH"	47.012746
"223570"	352.08564	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+3H2O+2H"	56.04448
"1510545"	385.12819	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+IsoProp+H"	61.06479
"417889"	355.039588	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+Na+K"	61.952376
"776696"	517.071288	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+Na+K"	61.952376
"1677039"	193.007888	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Na+K"	61.952376
"258458"	712.142568	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+ACN+Na"	64.015768
"1228981"	388.079168	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+ACN+Na"	64.015768
"1718960"	388.102693	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+NH4+HCOOH"	64.039293
"1190876"	131.010351333333	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+3Na"	68.967654
"1661861"	393.058088	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Na+HCOOH"	68.994688
"169815"	725.04584	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+2K-H"	76.91904
"612053"	1049.10924	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+2K-H"	76.91904
"1096074"	400.98244	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2K-H"	76.91904
"156945"	363.026558	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"2M+2K"	77.926316
"593542"	525.058258	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"3M+2K"	77.926316
"1080243"	200.994858	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2K"	77.926316
"1114304"	402.996992	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2K+H"	78.933592
"1347651"	403.084607	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+DMSO+H"	79.021207
"1012900"	407.123776	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2ACN+H"	83.060376
"1534307"	408.117408	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+IsoProp+Na+H"	84.054008
"1002943"	204.065526	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+2ACN+2H"	84.067652
"1599636"	409.032028	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+K+HCOOH"	84.968628
"1428941"	439.063538	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+H+CF3COOH"	115.000138
"1161049"	224.578801	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+3ACN+2H"	125.094202
"1711694"	456.090085	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+NH4+CF3COOH"	132.026685
"1639694"	461.04548	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+Na+CF3COOH"	136.98208
"1571699"	477.01942	"C00961"	"Sterigmatocystin"	"C18H12O6"	"324.0634"	"M+K+CF3COOH"	152.95602
"816407"	180.0634	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M"	0
"988733"	161.04501	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"77338"	119.034990666667	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"518523"	179.056124	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"895477"	59.0138573333333	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"13645"	179.056124	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"454904"	269.087824	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"831371"	89.024424	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"90997"	359.119524	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"530923"	539.182924	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"910544"	179.056124	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"60175"	376.146071	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"500465"	556.209471	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877537"	196.082671	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"45074"	381.101466	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"481719"	561.164866	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"852962"	201.038066	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1623588"	201.038066	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"96469"	197.044463	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"537492"	287.076163	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"932101"	107.012763	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"271752"	395.096202	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"665268"	575.159602	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1284236"	215.032802	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"25698"	397.075406	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"466354"	577.138806	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"847069"	217.012006	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1569103"	217.012006	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"956259"	225.061594	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"374836"	405.125001	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"352158"	419.140651	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1497717"	239.077251	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"964164"	247.043551	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"120726"	215.032802	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"557007"	305.064502	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1032366"	125.001102	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1251944"	258.982285	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1314395"	261.038272	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1334441"	283.020229	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"914201"	293.048986	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1293826"	329.025664	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1370894"	145.050724	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1394587"	163.0607	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"288077"	361.134076	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"688884"	541.197476	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1360496"	181.070676	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"134477"	181.070676	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"579872"	271.102376	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1050129"	91.038976	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"219372"	121.049542666667	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"657955"	181.070676	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1175718"	61.0284093333333	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"436075"	378.160623	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"798529"	558.224023	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1695224"	198.097223	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"342769"	189.5839495	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"735192"	279.6156495	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1489014"	99.5522495	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"406604"	383.116018	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"766502"	563.179418	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1617973"	203.052618	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"326833"	192.061647	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"720348"	282.093347	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1476355"	102.029947	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1067049"	68.3557233333333	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1272537"	213.096886	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"386572"	399.089958	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"753729"	579.153358	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1553999"	219.026558	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"313362"	200.048617	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"695944"	290.080317	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1448673"	110.016917	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"238373"	402.160626	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1210594"	222.097226	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1195811"	111.552251	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"194393"	405.09796	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"635046"	585.16136	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1134177"	225.03456	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"172908"	203.052618	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"613337"	293.084318	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1118344"	113.020918	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1411346"	75.6830373333333	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1436172"	227.076146	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"224775"	208.08564	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1509197"	241.12819	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"417999"	211.039588	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"778993"	301.071288	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1679337"	121.007888	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"255288"	424.142568	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1230185"	244.079168	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1724173"	244.102693	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1192079"	83.0103513333333	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1665172"	249.058088	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"172605"	437.04584	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"612566"	617.10924	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1096184"	256.98244	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"156646"	219.026558	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"593652"	309.058258	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1081934"	128.994858	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1115391"	258.996992	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1349463"	259.084607	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1016290"	263.123776	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1534417"	264.117408	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1005364"	132.065526	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1600845"	265.032028	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1429419"	295.063538	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1162258"	152.578801	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1712052"	312.090085	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1643084"	317.04548	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1572538"	333.01942	"C00962"	"beta-D-Galactose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"806916"	152.1201	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M"	0
"984824"	133.10171	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"78181"	100.406124	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"517126"	151.112824	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"895304"	49.699424	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"15562"	151.112824	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"454643"	227.172874	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"831723"	75.052774	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"90736"	303.232924	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"531388"	455.353024	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908097"	151.112824	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"59192"	320.259471	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"499237"	472.379571	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"877405"	168.139371	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"42267"	325.214866	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"482919"	477.334966	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"854165"	173.094766	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1620781"	173.094766	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"100225"	169.101163	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"535168"	245.161213	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"928563"	93.041113	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"271863"	339.209602	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"661367"	491.329702	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1284349"	187.089502	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"26902"	341.188806	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"466464"	493.308906	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"844266"	189.068706	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1567754"	189.068706	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"955640"	197.118294	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"367291"	349.238401	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"353366"	363.254051	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1503292"	211.133951	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"970836"	219.100251	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"117555"	187.089502	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"559303"	263.149552	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1031382"	111.029452	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1252054"	231.038985	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1318149"	233.094972	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1325442"	255.076929	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"917594"	265.105686	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1293209"	301.082364	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1375743"	117.107424	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1394697"	135.1174	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"289646"	305.247476	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"683163"	457.367576	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1361699"	153.127376	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"134587"	153.127376	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"580350"	229.187426	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1051337"	77.067326	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"219237"	102.420676	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"656971"	153.127376	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1176557"	51.713976	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"438370"	322.274023	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"796085"	474.394123	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1690231"	170.153923	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"341425"	161.6406495	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"734938"	237.7006995	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1490222"	85.5805995	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"403433"	327.229418	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"769707"	479.349518	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1617759"	175.109318	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"329131"	164.118347	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"722040"	240.178397	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1476469"	88.058297	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1067406"	59.04129	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1271881"	185.153586	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"392640"	343.203358	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"752423"	495.323458	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1553021"	191.083258	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"303635"	172.105317	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"699338"	248.165367	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1458266"	96.045267	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"246868"	346.274026	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1218846"	194.153926	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1200540"	97.580601	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"196694"	349.21136	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"638075"	501.33146	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1141943"	197.09126	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"183045"	175.109318	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"625886"	251.169368	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1127203"	99.049268	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1405259"	66.368604	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1441385"	199.132846	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"224885"	180.14234	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1512222"	213.18489	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"413729"	183.096288	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"783115"	259.156338	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1680545"	107.036238	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"266983"	368.255968	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1240825"	216.135868	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1727931"	216.159393	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1191824"	73.695918	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1663175"	221.114788	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"171859"	381.15924	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"612748"	533.27934	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1099700"	229.03914	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"156272"	191.083258	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"597080"	267.143308	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1084179"	115.023208	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1114647"	231.053692	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1348842"	231.141307	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1015305"	235.180476	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1535620"	236.174108	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1005521"	118.093876	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1596572"	237.088728	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1429163"	267.120238	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1159083"	138.607151	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1710823"	284.146785	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1639916"	289.10218	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1571919"	305.07612	"C00964"	"(-)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"810308"	146.0579	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M"	0
"989069"	127.03951	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"78047"	96.3646573333333	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"518211"	145.050624	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"895166"	47.6786906666667	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"14707"	145.050624	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"453658"	218.079574	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"828666"	72.021674	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"89752"	291.108524	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"531503"	437.166424	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"907113"	145.050624	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"58936"	308.135071	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"495580"	454.192971	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"875571"	162.077171	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"39097"	313.090466	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"473190"	459.148366	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"848761"	167.032566	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1618904"	167.032566	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"99244"	163.038963	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"537712"	236.067913	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"927083"	90.010013	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"271974"	327.085202	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"662208"	473.143102	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1285551"	181.027302	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"22637"	329.064406	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"460010"	475.122306	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"840730"	183.006506	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1564586"	183.006506	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"949915"	191.056094	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"364123"	337.114001	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"353478"	351.129651	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1497936"	205.071751	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"964384"	213.038051	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"117666"	181.027302	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"558320"	254.056252	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1031858"	107.998352	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1253258"	224.976785	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1305866"	227.032772	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1321905"	249.014729	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"915151"	259.043486	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1296598"	295.020164	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1375852"	111.045224	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1392255"	129.0552	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"290854"	293.123076	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"685461"	439.180976	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1361810"	147.065176	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"137979"	147.065176	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"578639"	220.094126	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1047438"	74.036226	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"214242"	98.3792093333333	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"655988"	147.065176	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1174116"	49.6932426666667	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"435203"	310.149623	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"795106"	456.207523	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1692531"	164.091723	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"340809"	155.5784495	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"733231"	228.6073995	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1491671"	82.5494995	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"408248"	315.105018	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"768919"	461.162918	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1617260"	169.047118	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"328510"	158.056147	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"718377"	231.085097	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1472199"	85.027197	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1066541"	57.0205566666667	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1269312"	179.091386	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"385707"	331.078958	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"743421"	477.136858	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1547665"	185.021058	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"311768"	166.043117	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"705287"	239.072067	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1456553"	93.014167	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"242967"	334.149626	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1213487"	188.091726	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1203932"	94.549501	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"191335"	337.08696	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"633082"	483.14486	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1137677"	191.02906	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"179874"	169.047118	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"621620"	242.076068	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1119658"	96.018168	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1406462"	64.3478706666667	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1434573"	193.070646	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"222815"	174.08014	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1513060"	207.12269	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"422230"	177.034088	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"783589"	250.063038	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1680655"	104.005138	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"267053"	356.131568	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1241319"	210.073668	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1719291"	210.097193	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1187926"	71.6751846666667	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1662192"	215.052588	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"172578"	369.03484	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"610435"	515.09274	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1097377"	222.97694	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"156828"	185.021058	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"596630"	258.050008	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1079479"	111.992108	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1112689"	224.991492	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1344701"	225.079107	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1013230"	229.118276	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1536826"	230.111908	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"999992"	115.062776	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1601058"	231.026528	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1429152"	261.058038	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1160288"	135.576051	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1708750"	278.084585	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1637839"	283.03998	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1584426"	299.01392	"C00966"	"2-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"816619"	313.0576	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M"	0
"989469"	294.03921	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-H2O-H"	-19.01839
"76572"	207.697790666667	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M-3H"	-3.021828
"518075"	312.050324	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M-3H"	-3.021828
"895037"	103.345257333333	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-3H"	-3.021828
"14948"	312.050324	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M-2H"	-2.014552
"454021"	468.579124	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M-2H"	-2.014552
"831330"	155.521524	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-2H"	-2.014552
"92052"	625.107924	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M-H"	-1.007276
"531977"	938.165524	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M-H"	-1.007276
"907225"	312.050324	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-H"	-1.007276
"59781"	642.134471	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M-2H+NH4"	16.019271
"499704"	955.192071	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M-2H+NH4"	16.019271
"874588"	329.076871	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-2H+NH4"	16.019271
"40301"	647.089866	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M-2H+Na"	20.974666
"482053"	960.147466	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M-2H+Na"	20.974666
"861680"	334.032266	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-2H+Na"	20.974666
"1627203"	334.032266	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Na-2H"	20.974666
"105919"	330.038663	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M-H+Cl"	33.962126
"545117"	486.567463	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M-H+Cl"	33.962126
"934620"	173.509863	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-H+Cl"	33.962126
"278286"	661.084602	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+Cl"	34.969402
"668881"	974.142202	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+Cl"	34.969402
"1280558"	348.027002	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Cl"	34.969402
"27127"	663.063806	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M-2H+K"	36.948606
"469241"	976.121406	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M-2H+K"	36.948606
"842305"	350.006206	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-2H+K"	36.948606
"1563605"	350.006206	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+K-2H"	36.948606
"948572"	358.055794	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-H+HCOOH"	44.998194
"374447"	671.113401	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+HCOOH-H"	44.998201
"357236"	685.129051	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+Hac-H"	59.013851
"1496956"	372.071451	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Hac-H"	59.013851
"966684"	380.037751	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-H+NaCOOH"	66.980151
"123246"	348.027002	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+2Cl"	69.938804
"555516"	504.555802	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+2Cl"	69.938804
"1027958"	191.498202	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2Cl"	69.938804
"1247537"	391.976485	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Br"	78.918885
"1306701"	394.032472	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Cl+HCOOH"	80.974872
"1321285"	416.014429	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Cl+NaCOOH"	102.956829
"912829"	426.043186	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M-H+CF3COOH"	112.985586
"1293432"	462.019864	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Cl+CF3COOH"	148.962264
"1375968"	278.044924	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H-2H2O"	-35.012676
"1392371"	296.0549	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H-H2O"	-17.0027
"290965"	627.122476	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+H"	1.007276
"685573"	940.180076	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+H"	1.007276
"1366301"	314.064876	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H"	1.007276
"139920"	314.064876	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+2H"	2.014552
"576562"	470.593676	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+2H"	2.014552
"1046454"	157.536076	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2H"	2.014552
"213261"	209.712342666667	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+3H"	3.021828
"655010"	314.064876	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+3H"	3.021828
"1178000"	105.359809333333	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+3H"	3.021828
"437503"	644.149023	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+NH4"	18.033823
"800686"	957.206623	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+NH4"	18.033823
"1695562"	331.091423	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+NH4"	18.033823
"344694"	322.5781495	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+H+NH4"	19.041099
"737847"	479.1069495	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+H+NH4"	19.041099
"1492272"	166.0493495	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H+NH4"	19.041099
"402566"	649.104418	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+Na"	22.989218
"764654"	962.162018	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+Na"	22.989218
"1616034"	336.046818	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Na"	22.989218
"324978"	325.055847	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+H+Na"	23.996494
"717398"	481.584647	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+H+Na"	23.996494
"1470129"	168.527047	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H+Na"	23.996494
"1063374"	112.687123333333	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2H+Na"	25.00377
"1267240"	346.091086	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+CH3OH+H"	33.033486
"388004"	665.078358	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+K"	38.963158
"744624"	978.135958	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+K"	38.963158
"1546682"	352.020758	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+K"	38.963158
"310055"	333.042817	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+H+K"	39.970434
"699563"	489.571617	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+H+K"	39.970434
"1455204"	176.514017	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H+K"	39.970434
"239796"	668.149026	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+ACN+H"	42.033826
"1216874"	355.091426	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+ACN+H"	42.033826
"1199668"	178.049351	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+ACN+2H"	43.041102
"192902"	671.08636	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+2Na-H"	44.97116
"634288"	984.14396	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+2Na-H"	44.97116
"1136701"	358.02876	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2Na-H"	44.97116
"179988"	336.046818	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+2Na"	45.978436
"617366"	492.575618	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+2Na"	45.978436
"1118682"	179.518018	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2Na"	45.978436
"1408771"	120.014437333333	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H+2Na"	46.985712
"1440888"	360.070346	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H+HCOOH"	47.012746
"233502"	341.07984	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+3H2O+2H"	56.04448
"1522295"	374.12239	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+IsoProp+H"	61.06479
"421980"	344.033788	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+Na+K"	61.952376
"783339"	500.562588	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+Na+K"	61.952376
"1674568"	187.504988	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Na+K"	61.952376
"259994"	690.130968	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+ACN+Na"	64.015768
"1238538"	377.073368	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+ACN+Na"	64.015768
"1722682"	377.096893	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+NH4+HCOOH"	64.039293
"1189129"	127.341751333333	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+3Na"	68.967654
"1664007"	382.052288	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Na+HCOOH"	68.994688
"170994"	703.03424	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+2K-H"	76.91904
"610911"	1016.09184	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+2K-H"	76.91904
"1098704"	389.97664	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2K-H"	76.91904
"154068"	352.020758	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"2M+2K"	77.926316
"592537"	508.549558	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"3M+2K"	77.926316
"1081784"	195.491958	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2K"	77.926316
"1109894"	391.991192	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2K+H"	78.933592
"1345549"	392.078807	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+DMSO+H"	79.021207
"1016629"	396.117976	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2ACN+H"	83.060376
"1536213"	397.111608	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+IsoProp+Na+H"	84.054008
"1000110"	198.562626	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+2ACN+2H"	84.067652
"1598988"	398.026228	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+K+HCOOH"	84.968628
"1426832"	428.057738	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+H+CF3COOH"	115.000138
"1158214"	219.075901	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+3ACN+2H"	125.094202
"1702298"	445.084285	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+NH4+CF3COOH"	132.026685
"1639041"	450.03968	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+Na+CF3COOH"	136.98208
"1584536"	466.01362	"C00968"	"35-Cyclic dAMP"	"C10H12N5O5P"	"313.0576"	"M+K+CF3COOH"	152.95602
"812715"	74.0368	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M"	0
"989166"	55.01841	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"73398"	48.3505906666667	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"517334"	73.029524	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"894898"	23.6716573333333	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"11524"	73.029524	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"454736"	110.047924	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"831075"	36.011124	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"92769"	147.066324	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"531722"	221.103124	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"907335"	73.029524	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"59524"	164.092871	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"496898"	238.129671	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"874697"	90.056071	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"43328"	169.048266	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"484351"	243.085066	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"859968"	95.011466	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1627315"	95.011466	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"104939"	91.017863	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"546685"	128.036263	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"938015"	53.999463	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"278760"	183.043002	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"669358"	257.079802	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1282491"	109.006202	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"26142"	185.022206	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"468987"	259.059006	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"842416"	110.985406	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1568093"	110.985406	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"954153"	119.034994	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"376380"	193.071801	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"354796"	207.087451	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1501440"	133.050651	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"968617"	141.016951	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"114609"	109.006202	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"555262"	146.024602	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1029527"	71.987802	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1248013"	152.955685	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1306449"	155.011672	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1322856"	176.993629	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"912819"	187.022386	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1290990"	222.999064	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1376077"	39.024124	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1395761"	57.0341	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"291075"	149.080876	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"687870"	223.117676	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1366655"	75.044076	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"140037"	75.044076	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"576673"	112.062476	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1046565"	38.025676	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"216650"	50.3651426666667	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"655121"	75.044076	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1176043"	25.6862093333333	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"431052"	166.107423	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"798975"	240.144223	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1695915"	92.070623	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"344679"	83.5573495	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"738034"	120.5757495	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1490925"	46.5389495	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"403771"	171.062818	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"765861"	245.099618	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1613960"	97.026018	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"325818"	86.035047	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"717512"	123.053447	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1471332"	49.016647	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1065670"	33.0135233333333	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1270629"	107.070286	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"388843"	187.036758	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"743641"	261.073558	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1547885"	112.999958	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"307249"	94.022017	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"699673"	131.040417	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1455680"	57.003617	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"244280"	190.107426	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1218081"	116.070626	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1204152"	58.538951	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"194470"	193.04476	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"635491"	267.08156	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1136083"	119.00796	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"179369"	97.026018	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"617111"	134.044418	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1120981"	60.007618	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1411068"	40.3408373333333	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1437715"	121.049546	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"234340"	102.05904	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1521679"	135.10159	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"422459"	105.012988	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"784184"	142.031388	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1679420"	67.994588	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"264848"	212.089368	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1239742"	138.052568	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1723885"	138.076093	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1192159"	47.6681513333333	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1663876"	143.031488	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"171827"	224.99264	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"611628"	299.02944	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1098692"	150.95584	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"156360"	112.999958	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"593740"	150.018358	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1082986"	75.981558	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1111825"	152.970392	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1348210"	153.058007	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1017468"	157.097176	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1538143"	158.090808	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"1002406"	79.052226	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1601283"	159.005428	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1428765"	189.036938	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1158324"	99.565501	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1702407"	206.063485	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1635872"	211.01888	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1584646"	226.99282	"C00969"	"3-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"812825"	165.0426	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M"	0
"989242"	146.02421	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-H2O-H"	-19.01839
"73508"	109.021124	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M-3H"	-3.021828
"518095"	164.035324	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M-3H"	-3.021828
"889776"	54.006924	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-3H"	-3.021828
"13457"	164.035324	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M-2H"	-2.014552
"450098"	246.556624	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M-2H"	-2.014552
"828997"	81.514024	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-2H"	-2.014552
"91177"	329.077924	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M-H"	-1.007276
"532319"	494.120524	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M-H"	-1.007276
"903070"	164.035324	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-H"	-1.007276
"59636"	346.104471	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M-2H+NH4"	16.019271
"498467"	511.147071	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M-2H+NH4"	16.019271
"872621"	181.061871	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-2H+NH4"	16.019271
"41616"	351.059866	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M-2H+Na"	20.974666
"484461"	516.102466	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M-2H+Na"	20.974666
"862264"	186.017266	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-2H+Na"	20.974666
"1630705"	186.017266	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Na-2H"	20.974666
"108694"	182.023663	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M-H+Cl"	33.962126
"546794"	264.544963	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M-H+Cl"	33.962126
"940311"	99.502363	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-H+Cl"	33.962126
"280936"	365.054602	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+Cl"	34.969402
"674817"	530.097202	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+Cl"	34.969402
"1285881"	200.012002	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Cl"	34.969402
"24063"	367.033806	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M-2H+K"	36.948606
"466909"	532.076406	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M-2H+K"	36.948606
"848422"	201.991206	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-2H+K"	36.948606
"1568932"	201.991206	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+K-2H"	36.948606
"956086"	210.040794	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-H+HCOOH"	44.998194
"377050"	375.083401	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+HCOOH-H"	44.998201
"357823"	389.099051	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+Hac-H"	59.013851
"1503009"	224.056451	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Hac-H"	59.013851
"969457"	232.022751	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-H+NaCOOH"	66.980151
"114720"	200.012002	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+2Cl"	69.938804
"558653"	282.533302	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+2Cl"	69.938804
"1031826"	117.490702	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2Cl"	69.938804
"1248124"	243.961485	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Br"	78.918885
"1307653"	246.017472	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Cl+HCOOH"	80.974872
"1321506"	267.999429	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Cl+NaCOOH"	102.956829
"912566"	278.028186	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M-H+CF3COOH"	112.985586
"1294745"	314.004864	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Cl+CF3COOH"	148.962264
"1379467"	130.029924	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H-2H2O"	-35.012676
"1396964"	148.0399	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H-H2O"	-17.0027
"293371"	331.092476	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+H"	1.007276
"689802"	496.135076	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+H"	1.007276
"1366766"	166.049876	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H"	1.007276
"140509"	166.049876	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+2H"	2.014552
"580671"	248.571176	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+2H"	2.014552
"1047769"	83.528576	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2H"	2.014552
"214575"	111.035676	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+3H"	3.021828
"653044"	166.049876	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+3H"	3.021828
"1177005"	56.021476	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+3H"	3.021828
"436630"	348.119023	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+NH4"	18.033823
"799813"	513.161623	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+NH4"	18.033823
"1695418"	183.076423	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+NH4"	18.033823
"343696"	174.5631495	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+H+NH4"	19.041099
"738185"	257.0844495	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+H+NH4"	19.041099
"1491399"	92.0418495	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H+NH4"	19.041099
"406435"	353.074418	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+Na"	22.989218
"767064"	518.117018	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+Na"	22.989218
"1614800"	188.031818	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Na"	22.989218
"326292"	177.040847	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+H+Na"	23.996494
"715437"	259.562147	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+H+Na"	23.996494
"1470349"	94.519547	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H+Na"	23.996494
"1065418"	63.34879	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2H+Na"	25.00377
"1268190"	198.076086	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+CH3OH+H"	33.033486
"388224"	369.048358	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+K"	38.963158
"745938"	534.090958	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+K"	38.963158
"1547995"	204.005758	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+K"	38.963158
"307358"	185.027817	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+H+K"	39.970434
"701970"	267.549117	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+H+K"	39.970434
"1453603"	102.506517	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H+K"	39.970434
"241110"	372.119026	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+ACN+H"	42.033826
"1219284"	207.076426	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+ACN+H"	42.033826
"1200252"	104.041851	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+ACN+2H"	43.041102
"197132"	375.05636	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+2Na-H"	44.97116
"635601"	540.09896	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+2Na-H"	44.97116
"1137648"	210.01376	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2Na-H"	44.97116
"178386"	188.031818	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+2Na"	45.978436
"617221"	270.553118	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+2Na"	45.978436
"1121453"	105.510518	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2Na"	45.978436
"1410084"	70.676104	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H+2Na"	46.985712
"1434545"	212.055346	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H+HCOOH"	47.012746
"235388"	193.06484	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+3H2O+2H"	56.04448
"1524094"	226.10739	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+IsoProp+H"	61.06479
"423301"	196.018788	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+Na+K"	61.952376
"785541"	278.540088	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+Na+K"	61.952376
"1680629"	113.497488	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Na+K"	61.952376
"266055"	394.100968	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+ACN+Na"	64.015768
"1239978"	229.058368	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+ACN+Na"	64.015768
"1727400"	229.081893	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+NH4+HCOOH"	64.039293
"1192636"	78.003418	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+3Na"	68.967654
"1664352"	234.037288	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Na+HCOOH"	68.994688
"171939"	407.00424	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+2K-H"	76.91904
"611990"	572.04684	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+2K-H"	76.91904
"1099173"	241.96164	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2K-H"	76.91904
"155747"	204.005758	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"2M+2K"	77.926316
"594577"	286.527058	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"3M+2K"	77.926316
"1083096"	121.484458	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2K"	77.926316
"1113393"	243.976192	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2K+H"	78.933592
"1348320"	244.063807	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+DMSO+H"	79.021207
"1019037"	248.102976	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2ACN+H"	83.060376
"1538256"	249.096608	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+IsoProp+Na+H"	84.054008
"1002516"	124.555126	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+2ACN+2H"	84.067652
"1600301"	250.011228	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+K+HCOOH"	84.968628
"1429733"	280.042738	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+H+CF3COOH"	115.000138
"1161716"	145.068401	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+3ACN+2H"	125.094202
"1704704"	297.069285	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+NH4+CF3COOH"	132.026685
"1639262"	302.02468	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+Na+CF3COOH"	136.98208
"1584756"	317.99862	"C00971"	"4-Pyridoxolactone;4-Pyridoxic acid lactone"	"C8H7NO3"	"165.0426"	"M+K+CF3COOH"	152.95602
"810750"	288.0634	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M"	0
"986470"	269.04501	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"70338"	191.034990666667	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"514272"	287.056124	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"886606"	95.0138573333333	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"13935"	287.056124	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"452399"	431.087824	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"828016"	143.024424	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"92384"	575.119524	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"528662"	863.182924	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"905371"	287.056124	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"53185"	592.146071	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"496027"	880.209471	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"868362"	304.082671	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"38449"	597.101466	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"481293"	885.164866	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"859096"	309.038066	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1631912"	309.038066	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"105159"	305.044463	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"543626"	449.076163	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"942247"	161.012763	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"278615"	611.096202	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"672495"	899.159602	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1285993"	323.032802	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"28553"	613.075406	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"465926"	901.138806	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"844459"	325.012006	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1568312"	325.012006	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"958020"	333.061594	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"375870"	621.125001	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"357567"	635.140651	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1500567"	347.077251	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"964828"	355.043551	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"114826"	323.032802	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"560948"	467.064502	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1026466"	179.001102	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1247138"	366.982285	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1307396"	369.038272	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1322340"	391.020229	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"913036"	401.048986	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1289384"	437.025664	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1376298"	253.050724	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1398138"	271.0607	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"295669"	577.134076	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"690159"	865.197476	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1365911"	289.070676	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"140379"	289.070676	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"580419"	433.102376	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1048973"	145.038976	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"215780"	193.049542666667	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"656436"	289.070676	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1176995"	97.0284093333333	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"435648"	594.160623	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"799439"	882.224023	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1695164"	306.097223	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"340158"	297.5839495	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"734772"	441.6156495	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1487138"	153.5522495	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"405087"	599.116018	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"766809"	887.179418	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1616367"	311.052618	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"323121"	300.061647	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"714454"	444.093347	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1471551"	156.029947	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1063705"	104.355723333333	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1270489"	321.096886	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"378496"	615.089958	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"743865"	903.153358	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1551386"	327.026558	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"310752"	308.048617	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"702079"	452.080317	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1455898"	164.016917	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"245593"	618.160626	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1218303"	330.097226	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1203281"	165.552251	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"198339"	621.09796	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"634620"	909.16136	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1136302"	333.03456	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"181417"	311.052618	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"616966"	455.084318	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1130442"	167.020918	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1409102"	111.683037333333	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1445202"	335.076146	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"235255"	316.08564	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1523845"	349.12819	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"423528"	319.039588	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"784897"	463.071288	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1680823"	175.007888	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"266157"	640.142568	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1239962"	352.079168	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1728123"	352.102693	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1192746"	119.010351333333	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1664098"	357.058088	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"171691"	653.04584	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"611250"	941.10924	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1099036"	364.98244	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"155488"	327.026558	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"595417"	471.058258	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1082971"	182.994858	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1113873"	366.996992	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1348431"	367.084607	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1018418"	371.123776	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1538732"	372.117408	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"1005385"	186.065526	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1599319"	373.032028	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1429674"	403.063538	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1158544"	206.578801	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1705909"	420.090085	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1639372"	425.04548	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1571984"	441.01942	"C00974"	"Dihydrokaempferol;Aromadendrin;()-Dihydrokaempferol;()-Aromadendrin"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"813776"	148.0008	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M"	0
"987309"	128.98241	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-H2O-H"	-19.01839
"73728"	97.659924	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M-3H"	-3.021828
"514382"	146.993524	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M-3H"	-3.021828
"886716"	48.326324	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-3H"	-3.021828
"13682"	146.993524	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M-2H"	-2.014552
"452509"	220.993924	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M-2H"	-2.014552
"828126"	72.993124	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-2H"	-2.014552
"91768"	294.994324	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M-H"	-1.007276
"531691"	442.995124	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M-H"	-1.007276
"909737"	146.993524	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-H"	-1.007276
"60221"	312.020871	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M-2H+NH4"	16.019271
"500761"	460.021671	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M-2H+NH4"	16.019271
"871752"	164.020071	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-2H+NH4"	16.019271
"41839"	316.976266	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M-2H+Na"	20.974666
"483590"	464.977066	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M-2H+Na"	20.974666
"859207"	168.975466	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-2H+Na"	20.974666
"1632022"	168.975466	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Na-2H"	20.974666
"109162"	164.981863	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M-H+Cl"	33.962126
"548357"	238.982263	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M-H+Cl"	33.962126
"940533"	90.981463	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-H+Cl"	33.962126
"276904"	330.971002	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+Cl"	34.969402
"670419"	478.971802	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+Cl"	34.969402
"1275536"	182.970202	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Cl"	34.969402
"25382"	332.950206	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M-2H+K"	36.948606
"459475"	480.951006	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M-2H+K"	36.948606
"837278"	184.949406	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-2H+K"	36.948606
"1557485"	184.949406	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+K-2H"	36.948606
"946461"	192.998994	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-H+HCOOH"	44.998194
"363585"	340.999801	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+HCOOH-H"	44.998201
"351842"	355.015451	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+Hac-H"	59.013851
"1494113"	207.014651	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Hac-H"	59.013851
"960921"	214.980951	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-H+NaCOOH"	66.980151
"112381"	182.970202	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+2Cl"	69.938804
"552673"	256.970602	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+2Cl"	69.938804
"1024023"	108.969802	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2Cl"	69.938804
"1242749"	226.919685	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Br"	78.918885
"1305560"	228.975672	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Cl+HCOOH"	80.974872
"1321358"	250.957629	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Cl+NaCOOH"	102.956829
"912056"	260.986386	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M-H+CF3COOH"	112.985586
"1290590"	296.963064	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Cl+CF3COOH"	148.962264
"1380784"	112.988124	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H-2H2O"	-35.012676
"1392812"	130.9981	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H-H2O"	-17.0027
"295779"	297.008876	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+H"	1.007276
"690635"	445.009676	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+H"	1.007276
"1366502"	149.008076	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H"	1.007276
"140126"	149.008076	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+2H"	2.014552
"580531"	223.008476	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+2H"	2.014552
"1050177"	75.007676	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2H"	2.014552
"217716"	99.674476	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+3H"	3.021828
"657639"	149.008076	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+3H"	3.021828
"1176376"	50.340876	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+3H"	3.021828
"437946"	314.035423	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+NH4"	18.033823
"796752"	462.036223	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+NH4"	18.033823
"1695643"	166.034623	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+NH4"	18.033823
"342823"	157.5213495	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+H+NH4"	19.041099
"736343"	231.5217495	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+H+NH4"	19.041099
"1488341"	83.5209495	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H+NH4"	19.041099
"406290"	318.990818	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+Na"	22.989218
"767284"	466.991618	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+Na"	22.989218
"1615383"	170.990018	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Na"	22.989218
"326999"	159.999047	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+H+Na"	23.996494
"717842"	233.999447	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+H+Na"	23.996494
"1473848"	85.998647	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H+Na"	23.996494
"1058349"	57.66819	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2H+Na"	25.00377
"1267684"	181.034286	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+CH3OH+H"	33.033486
"377754"	334.964758	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+K"	38.963158
"740695"	482.965558	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+K"	38.963158
"1544936"	186.963958	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+K"	38.963158
"306487"	167.986017	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+H+K"	39.970434
"696722"	241.986417	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+H+K"	39.970434
"1449446"	93.985617	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H+K"	39.970434
"241329"	338.035426	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+ACN+H"	42.033826
"1214039"	190.034626	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+ACN+H"	42.033826
"1203391"	95.520951	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+ACN+2H"	43.041102
"196256"	340.97276	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+2Na-H"	44.97116
"635821"	488.97356	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+2Na-H"	44.97116
"1138235"	192.97196	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2Na-H"	44.97116
"181527"	170.990018	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+2Na"	45.978436
"618900"	244.990418	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+2Na"	45.978436
"1130920"	96.989618	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2Na"	45.978436
"1410306"	64.995504	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H+2Na"	46.985712
"1443775"	195.013546	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H+HCOOH"	47.012746
"234680"	176.02304	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+3H2O+2H"	56.04448
"1522745"	209.06559	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+IsoProp+H"	61.06479
"423522"	178.976988	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+Na+K"	61.952376
"785003"	252.977388	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+Na+K"	61.952376
"1680729"	104.976588	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Na+K"	61.952376
"264811"	360.017368	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+ACN+Na"	64.015768
"1239952"	212.016568	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+ACN+Na"	64.015768
"1727872"	212.040093	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+NH4+HCOOH"	64.039293
"1193712"	72.322818	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+3Na"	68.967654
"1665062"	216.995488	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Na+HCOOH"	68.994688
"172044"	372.92064	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+2K-H"	76.91904
"611360"	520.92144	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+2K-H"	76.91904
"1099146"	224.91984	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2K-H"	76.91904
"154870"	186.963958	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"2M+2K"	77.926316
"594068"	260.964358	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"3M+2K"	77.926316
"1081501"	112.963558	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2K"	77.926316
"1113978"	226.934392	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2K+H"	78.933592
"1349636"	227.022007	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+DMSO+H"	79.021207
"1020596"	231.061176	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2ACN+H"	83.060376
"1537748"	232.054808	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+IsoProp+Na+H"	84.054008
"1004807"	116.034226	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+2ACN+2H"	84.067652
"1599064"	232.969428	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+K+HCOOH"	84.968628
"1429218"	263.000938	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+H+CF3COOH"	115.000138
"1160841"	136.547501	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+3ACN+2H"	125.094202
"1708205"	280.027485	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+NH4+CF3COOH"	132.026685
"1639482"	284.98288	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+Na+CF3COOH"	136.98208
"1572216"	300.95682	"C00975"	"Dihydroxyfumarate;Dihydroxyfumaric acid"	"C4H4O6"	"148.0008"	"M+K+CF3COOH"	152.95602
"816400"	619.0564	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M"	0
"987420"	600.03801	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-H2O-H"	-19.01839
"71652"	411.696990666667	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M-3H"	-3.021828
"512306"	618.049124	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M-3H"	-3.021828
"890106"	205.344857333333	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-3H"	-3.021828
"13426"	618.049124	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M-2H"	-2.014552
"452621"	927.577324	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M-2H"	-2.014552
"831153"	308.520924	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-2H"	-2.014552
"89323"	1237.105524	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M-H"	-1.007276
"533624"	1856.161924	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M-H"	-1.007276
"908508"	618.049124	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-H"	-1.007276
"57779"	1254.132071	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M-2H+NH4"	16.019271
"500258"	1873.188471	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M-2H+NH4"	16.019271
"875145"	635.075671	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-2H+NH4"	16.019271
"39763"	1259.087466	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M-2H+Na"	20.974666
"482972"	1878.143866	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M-2H+Na"	20.974666
"862232"	640.031066	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-2H+Na"	20.974666
"1629944"	640.031066	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Na-2H"	20.974666
"107567"	636.037463	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M-H+Cl"	33.962126
"548222"	945.565663	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M-H+Cl"	33.962126
"939550"	326.509263	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-H+Cl"	33.962126
"280294"	1273.082202	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+Cl"	34.969402
"671623"	1892.138602	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+Cl"	34.969402
"1280749"	654.025802	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Cl"	34.969402
"25492"	1275.061406	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M-2H+K"	36.948606
"459585"	1894.117806	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M-2H+K"	36.948606
"836295"	656.005006	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-2H+K"	36.948606
"1557959"	656.005006	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+K-2H"	36.948606
"946571"	664.054594	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-H+HCOOH"	44.998194
"364789"	1283.111001	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+HCOOH-H"	44.998201
"350860"	1297.126651	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+Hac-H"	59.013851
"1496410"	678.070251	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Hac-H"	59.013851
"962858"	686.036551	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-H+NaCOOH"	66.980151
"112129"	654.025802	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+2Cl"	69.938804
"555700"	963.554002	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+2Cl"	69.938804
"1024131"	344.497602	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2Cl"	69.938804
"1243346"	697.975285	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Br"	78.918885
"1306158"	700.031272	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Cl+HCOOH"	80.974872
"1322562"	722.013229	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Cl+NaCOOH"	102.956829
"912894"	732.041986	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M-H+CF3COOH"	112.985586
"1289608"	768.018664	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Cl+CF3COOH"	148.962264
"1371050"	584.043724	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H-2H2O"	-35.012676
"1384173"	602.0537	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H-H2O"	-17.0027
"287141"	1239.120076	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+H"	1.007276
"689406"	1858.176476	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+H"	1.007276
"1366963"	620.063676	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H"	1.007276
"141083"	620.063676	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+2H"	2.014552
"581235"	929.591876	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+2H"	2.014552
"1051747"	310.535476	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2H"	2.014552
"217095"	413.711542666667	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+3H"	3.021828
"659093"	620.063676	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+3H"	3.021828
"1176728"	207.359409333333	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+3H"	3.021828
"438541"	1256.146623	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+NH4"	18.033823
"796862"	1875.203023	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+NH4"	18.033823
"1695386"	637.090223	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+NH4"	18.033823
"341473"	628.5769495	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+H+NH4"	19.041099
"737181"	938.1051495	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+H+NH4"	19.041099
"1488815"	319.0487495	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H+NH4"	19.041099
"407129"	1261.102018	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+Na"	22.989218
"763023"	1880.158418	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+Na"	22.989218
"1617194"	642.045618	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Na"	22.989218
"329296"	631.054647	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+H+Na"	23.996494
"722567"	940.582847	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+H+Na"	23.996494
"1472865"	321.526447	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H+Na"	23.996494
"1063928"	214.686723333333	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2H+Na"	25.00377
"1271074"	652.089886	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+CH3OH+H"	33.033486
"381992"	1277.075958	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+K"	38.963158
"738737"	1896.132358	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+K"	38.963158
"1541767"	658.019558	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+K"	38.963158
"301493"	639.041617	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+H+K"	39.970434
"696832"	948.569817	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+H+K"	39.970434
"1448099"	329.513417	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H+K"	39.970434
"241440"	1280.146626	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+ACN+H"	42.033826
"1216336"	661.090226	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+ACN+H"	42.033826
"1199489"	331.048751	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+ACN+2H"	43.041102
"194184"	1283.08396	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+2Na-H"	44.97116
"633745"	1902.14036	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+2Na-H"	44.97116
"1136159"	664.02756	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2Na-H"	44.97116
"181637"	642.045618	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+2Na"	45.978436
"625571"	951.573818	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+2Na"	45.978436
"1130544"	332.517418	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2Na"	45.978436
"1410416"	222.014037333333	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H+2Na"	46.985712
"1444004"	666.069146	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H+HCOOH"	47.012746
"234907"	647.07864	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+3H2O+2H"	56.04448
"1523824"	680.12119	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+IsoProp+H"	61.06479
"423956"	650.032588	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+Na+K"	61.952376
"784872"	959.560788	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+Na+K"	61.952376
"1680595"	340.504388	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Na+K"	61.952376
"266623"	1302.128568	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+ACN+Na"	64.015768
"1240184"	683.072168	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+ACN+Na"	64.015768
"1726887"	683.095693	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+NH4+HCOOH"	64.039293
"1193457"	229.341351333333	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+3Na"	68.967654
"1664201"	688.051088	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Na+HCOOH"	68.994688
"172155"	1315.03184	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+2K-H"	76.91904
"612519"	1934.08824	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+2K-H"	76.91904
"1097798"	695.97544	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2K-H"	76.91904
"155711"	658.019558	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"2M+2K"	77.926316
"595273"	967.547758	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"3M+2K"	77.926316
"1083071"	348.491358	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2K"	77.926316
"1114093"	697.989992	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2K+H"	78.933592
"1350357"	698.077607	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+DMSO+H"	79.021207
"1020586"	702.116776	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2ACN+H"	83.060376
"1538222"	703.110408	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+IsoProp+Na+H"	84.054008
"1005039"	351.562026	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+2ACN+2H"	84.067652
"1598445"	704.025028	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+K+HCOOH"	84.968628
"1428478"	734.056538	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+H+CF3COOH"	115.000138
"1161680"	372.075301	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+3ACN+2H"	125.094202
"1708315"	751.083085	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+NH4+CF3COOH"	132.026685
"1639592"	756.03848	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+Na+CF3COOH"	136.98208
"1572326"	772.01242	"C00976"	"GDP-D-mannuronate;GDP-D-mannuronic acid"	"C16H23N5O17P2"	"619.0564"	"M+K+CF3COOH"	152.95602
"811080"	203.1059	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M"	0
"986801"	184.08751	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-H2O-H"	-19.01839
"73949"	134.396657333333	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M-3H"	-3.021828
"515696"	202.098624	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M-3H"	-3.021828
"890216"	66.6946906666667	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-3H"	-3.021828
"7700"	202.098624	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M-2H"	-2.014552
"452005"	303.651574	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M-2H"	-2.014552
"830902"	100.545674	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-2H"	-2.014552
"89433"	405.204524	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M-H"	-1.007276
"532763"	608.310424	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M-H"	-1.007276
"907524"	202.098624	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-H"	-1.007276
"57889"	422.231071	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M-2H+NH4"	16.019271
"498911"	625.336971	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M-2H+NH4"	16.019271
"874892"	219.125171	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-2H+NH4"	16.019271
"40969"	427.186466	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M-2H+Na"	20.974666
"478344"	630.292366	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M-2H+Na"	20.974666
"861613"	224.080566	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-2H+Na"	20.974666
"1631149"	224.080566	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Na-2H"	20.974666
"107313"	220.086963	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M-H+Cl"	33.962126
"548331"	321.639913	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M-H+Cl"	33.962126
"938566"	118.534013	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-H+Cl"	33.962126
"279311"	441.181202	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+Cl"	34.969402
"670639"	644.287102	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+Cl"	34.969402
"1281952"	238.075302	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Cl"	34.969402
"20136"	443.160406	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M-2H+K"	36.948606
"461882"	646.266306	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M-2H+K"	36.948606
"836406"	240.054506	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-2H+K"	36.948606
"1559894"	240.054506	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+K-2H"	36.948606
"945590"	248.104094	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-H+HCOOH"	44.998194
"364898"	451.210001	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+HCOOH-H"	44.998201
"348782"	465.225651	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+Hac-H"	59.013851
"1495426"	262.119751	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Hac-H"	59.013851
"964060"	270.086051	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-H+NaCOOH"	66.980151
"116248"	238.075302	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+2Cl"	69.938804
"553623"	339.628252	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+2Cl"	69.938804
"1023269"	136.522352	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2Cl"	69.938804
"1241997"	282.024785	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Br"	78.918885
"1307730"	284.080772	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Cl+HCOOH"	80.974872
"1323400"	306.062729	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Cl+NaCOOH"	102.956829
"911579"	316.091486	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M-H+CF3COOH"	112.985586
"1288585"	352.068164	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Cl+CF3COOH"	148.962264
"1372253"	168.093224	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H-2H2O"	-35.012676
"1383914"	186.1032	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H-H2O"	-17.0027
"283239"	407.219076	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+H"	1.007276
"685140"	610.324976	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+H"	1.007276
"1366881"	204.113176	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H"	1.007276
"141263"	204.113176	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+2H"	2.014552
"581074"	305.666126	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+2H"	2.014552
"1049302"	102.560226	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2H"	2.014552
"217203"	136.411209333333	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+3H"	3.021828
"657859"	204.113176	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+3H"	3.021828
"1173799"	68.7092426666667	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+3H"	3.021828
"432696"	424.245623	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+NH4"	18.033823
"792597"	627.351523	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+NH4"	18.033823
"1696793"	221.139723	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+NH4"	18.033823
"341583"	212.6264495	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+H+NH4"	19.041099
"737291"	314.1793995	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+H+NH4"	19.041099
"1490018"	111.0734995	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H+NH4"	19.041099
"407847"	429.201018	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+Na"	22.989218
"764225"	632.306918	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+Na"	22.989218
"1617424"	226.095118	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Na"	22.989218
"328553"	215.104147	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+H+Na"	23.996494
"721947"	316.657097	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+H+Na"	23.996494
"1472975"	113.551197	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H+Na"	23.996494
"1065131"	76.0365566666667	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2H+Na"	25.00377
"1270092"	236.139386	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+CH3OH+H"	33.033486
"385382"	445.174958	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+K"	38.963158
"739092"	648.280858	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+K"	38.963158
"1540074"	242.069058	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+K"	38.963158
"300145"	223.091117	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+H+K"	39.970434
"699130"	324.644067	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+H+K"	39.970434
"1451856"	121.538167	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H+K"	39.970434
"240457"	448.245626	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+ACN+H"	42.033826
"1216444"	245.139726	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+ACN+H"	42.033826
"1200325"	123.073501	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+ACN+2H"	43.041102
"198663"	451.18296	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+2Na-H"	44.97116
"636042"	654.28886	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+2Na-H"	44.97116
"1136268"	248.07706	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2Na-H"	44.97116
"176277"	226.095118	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+2Na"	45.978436
"621298"	327.648068	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+2Na"	45.978436
"1118979"	124.542168	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2Na"	45.978436
"1409431"	83.3638706666667	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H+2Na"	46.985712
"1443870"	250.118646	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H+HCOOH"	47.012746
"234531"	231.12814	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+3H2O+2H"	56.04448
"1523208"	264.17069	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+IsoProp+H"	61.06479
"423259"	234.082088	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+Na+K"	61.952376
"784737"	335.635038	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+Na+K"	61.952376
"1680705"	132.529138	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Na+K"	61.952376
"266495"	470.227568	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+ACN+Na"	64.015768
"1240781"	267.121668	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+ACN+Na"	64.015768
"1726265"	267.145193	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+NH4+HCOOH"	64.039293
"1192351"	90.6911846666667	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+3Na"	68.967654
"1663944"	272.100588	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Na+HCOOH"	68.994688
"171416"	483.13084	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+2K-H"	76.91904
"611213"	686.23674	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+2K-H"	76.91904
"1096816"	280.02494	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2K-H"	76.91904
"155701"	242.069058	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"2M+2K"	77.926316
"593923"	343.622008	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"3M+2K"	77.926316
"1082812"	140.516108	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2K"	77.926316
"1113961"	282.039492	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2K+H"	78.933592
"1351074"	282.127107	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+DMSO+H"	79.021207
"1020332"	286.166276	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2ACN+H"	83.060376
"1537969"	287.159908	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+IsoProp+Na+H"	84.054008
"1003688"	143.586776	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+2ACN+2H"	84.067652
"1600742"	288.074528	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+K+HCOOH"	84.968628
"1427494"	318.106038	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+H+CF3COOH"	115.000138
"1158874"	164.100051	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+3ACN+2H"	125.094202
"1706238"	335.132585	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+NH4+CF3COOH"	132.026685
"1638609"	340.08798	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+Na+CF3COOH"	136.98208
"1572436"	356.06192	"C00977"	"L-Tryptophanamide"	"C11H13N3O"	"203.1059"	"M+K+CF3COOH"	152.95602
"812283"	218.1055	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M"	0
"985818"	199.08711	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-H2O-H"	-19.01839
"72966"	144.396390666667	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M-3H"	-3.021828
"514713"	217.098224	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M-3H"	-3.021828
"890326"	71.6945573333333	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-3H"	-3.021828
"7810"	217.098224	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M-2H"	-2.014552
"445183"	326.150974	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M-2H"	-2.014552
"825174"	108.045474	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-2H"	-2.014552
"89543"	435.203724	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M-H"	-1.007276
"533237"	653.309224	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M-H"	-1.007276
"907270"	217.098224	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-H"	-1.007276
"57999"	452.230271	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M-2H+NH4"	16.019271
"499386"	670.335771	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M-2H+NH4"	16.019271
"875002"	234.124771	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-2H+NH4"	16.019271
"38892"	457.185666	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M-2H+Na"	20.974666
"478454"	675.291166	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M-2H+Na"	20.974666
"856256"	239.080166	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-2H+Na"	20.974666
"1630894"	239.080166	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Na-2H"	20.974666
"104505"	235.086563	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M-H+Cl"	33.962126
"537504"	344.139313	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M-H+Cl"	33.962126
"934301"	126.033813	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-H+Cl"	33.962126
"280514"	471.180402	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+Cl"	34.969402
"669655"	689.285902	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+Cl"	34.969402
"1282062"	253.074902	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Cl"	34.969402
"22433"	473.159606	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M-2H+K"	36.948606
"460899"	691.265106	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M-2H+K"	36.948606
"837609"	255.054106	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-2H+K"	36.948606
"1563284"	255.054106	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+K-2H"	36.948606
"944607"	263.103694	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-H+HCOOH"	44.998194
"365008"	481.209201	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+HCOOH-H"	44.998201
"348892"	495.224851	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+Hac-H"	59.013851
"1493713"	277.119351	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Hac-H"	59.013851
"963077"	285.085651	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-H+NaCOOH"	66.980151
"113079"	253.074902	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+2Cl"	69.938804
"555920"	362.127652	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+2Cl"	69.938804
"1023379"	144.022152	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2Cl"	69.938804
"1242958"	297.024385	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Br"	78.918885
"1306136"	299.080372	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Cl+HCOOH"	80.974872
"1322783"	321.062329	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Cl+NaCOOH"	102.956829
"911895"	331.091086	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M-H+CF3COOH"	112.985586
"1289087"	367.067764	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Cl+CF3COOH"	148.962264
"1370174"	183.092824	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H-2H2O"	-35.012676
"1384390"	201.1028	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H-H2O"	-17.0027
"285170"	437.218276	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+H"	1.007276
"677224"	655.323776	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+H"	1.007276
"1355037"	219.112776	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H"	1.007276
"138861"	219.112776	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+2H"	2.014552
"580246"	328.165526	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+2H"	2.014552
"1050505"	110.060026	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2H"	2.014552
"215127"	146.410942666667	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+3H"	3.021828
"654687"	219.112776	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+3H"	3.021828
"1171719"	73.7091093333333	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+3H"	3.021828
"434992"	454.244823	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+NH4"	18.033823
"794893"	672.350323	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+NH4"	18.033823
"1693053"	236.139323	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+NH4"	18.033823
"337317"	227.6260495	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+H+NH4"	19.041099
"734118"	336.6787995	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+H+NH4"	19.041099
"1485753"	118.5732995	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H+NH4"	19.041099
"404433"	459.200218	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+Na"	22.989218
"761055"	677.305718	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+Na"	22.989218
"1610243"	241.094718	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Na"	22.989218
"324654"	230.103747	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+H+Na"	23.996494
"720355"	339.156497	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+H+Na"	23.996494
"1473083"	121.050997	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H+Na"	23.996494
"1060863"	81.0364233333333	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2H+Na"	25.00377
"1264733"	251.138986	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+CH3OH+H"	33.033486
"381482"	475.174158	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+K"	38.963158
"739441"	693.279658	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+K"	38.963158
"1542349"	257.068658	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+K"	38.963158
"300619"	238.090717	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+H+K"	39.970434
"692431"	347.143467	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+H+K"	39.970434
"1448683"	129.037967	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H+K"	39.970434
"239472"	478.244826	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+ACN+H"	42.033826
"1212182"	260.139326	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+ACN+H"	42.033826
"1199344"	130.573301	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+ACN+2H"	43.041102
"194400"	481.18216	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+2Na-H"	44.97116
"632871"	699.28766	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+2Na-H"	44.97116
"1134188"	263.07666	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2Na-H"	44.97116
"175293"	241.094718	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+2Na"	45.978436
"615945"	350.147468	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+2Na"	45.978436
"1118358"	132.041968	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2Na"	45.978436
"1407354"	88.3637373333333	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H+2Na"	46.985712
"1437284"	265.118246	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H+HCOOH"	47.012746
"234397"	246.12774	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+3H2O+2H"	56.04448
"1523316"	279.17029	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+IsoProp+H"	61.06479
"423609"	249.081688	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+Na+K"	61.952376
"784605"	358.134438	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+Na+K"	61.952376
"1680449"	140.028938	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Na+K"	61.952376
"266483"	500.226768	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+ACN+Na"	64.015768
"1240526"	282.121268	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+ACN+Na"	64.015768
"1726738"	282.144793	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+NH4+HCOOH"	64.039293
"1193673"	95.6910513333333	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+3Na"	68.967654
"1663810"	287.100188	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Na+HCOOH"	68.994688
"170916"	513.13004	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+2K-H"	76.91904
"612050"	731.23554	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+2K-H"	76.91904
"1096197"	295.02454	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2K-H"	76.91904
"153741"	257.068658	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"2M+2K"	77.926316
"593304"	366.121408	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"3M+2K"	77.926316
"1081828"	148.015908	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2K"	77.926316
"1114314"	297.039092	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2K+H"	78.933592
"1349726"	297.126707	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+DMSO+H"	79.021207
"1018131"	301.165876	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2ACN+H"	83.060376
"1538078"	302.159508	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+IsoProp+Na+H"	84.054008
"1003069"	151.086576	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+2ACN+2H"	84.067652
"1599759"	303.074128	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+K+HCOOH"	84.968628
"1427968"	333.105638	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+H+CF3COOH"	115.000138
"1157890"	171.599851	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+3ACN+2H"	125.094202
"1705255"	350.132185	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+NH4+CF3COOH"	132.026685
"1639812"	355.08758	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+Na+CF3COOH"	136.98208
"1571817"	371.06152	"C00978"	"N-Acetylserotonin;N-Acetyl-5-hydroxytryptamine"	"C12H14N2O2"	"218.1055"	"M+K+CF3COOH"	152.95602
"806927"	147.0532	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M"	0
"985927"	128.03481	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"73075"	97.0281906666667	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"512635"	146.045924	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"890436"	48.0104573333333	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"12295"	146.045924	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"454776"	219.572524	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"831486"	72.519324	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"92205"	293.099124	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"530308"	440.152324	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"907382"	146.045924	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"57017"	310.125671	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"497307"	457.178871	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"875476"	163.072471	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"42284"	315.081066	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"481845"	462.134266	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"859646"	168.027866	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1629543"	168.027866	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"104616"	164.034263	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"541989"	237.560863	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"937691"	90.507663	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"281841"	329.075802	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"664302"	476.129002	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1277799"	182.022602	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"22543"	331.055006	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"459915"	478.108206	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"840999"	184.001806	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1559020"	184.001806	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"945810"	192.051394	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"367306"	339.104601	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"351188"	353.120251	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1497832"	206.067051	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"964279"	214.033351	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"119749"	182.022602	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"554938"	255.549202	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1023736"	108.496002	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1243315"	225.972085	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1305397"	228.028072	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1320463"	250.010029	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"912130"	260.038786	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1289689"	296.015464	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1370285"	112.040524	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1384863"	130.0505	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"285284"	295.113676	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"689735"	442.166876	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1366692"	148.060476	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"135692"	148.060476	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"581357"	221.587076	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1048427"	74.533876	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"218519"	99.0427426666667	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"658806"	148.060476	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1175110"	50.0250093333333	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"432914"	312.140223	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"800110"	459.193423	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1694621"	165.087023	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"343268"	156.5737495	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"733867"	230.1003495	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1489145"	83.0471495	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"404178"	317.095618	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"765538"	464.148818	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1615822"	170.042418	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"321485"	159.051447	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"718281"	232.578047	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1466635"	85.524847	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1063891"	57.3523233333333	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1259735"	180.086686	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"382323"	333.069558	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"743322"	480.122758	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1542458"	186.016358	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"304737"	167.038417	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"696430"	240.565017	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1453166"	93.511817	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"241768"	336.140226	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1218848"	189.087026	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1201637"	95.047151	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"193415"	339.07756	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"636257"	486.13076	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1139763"	192.02436	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"179773"	170.042418	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"620427"	243.569018	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1121748"	96.515818	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1408557"	64.6796373333333	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1441771"	194.065946	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"232561"	175.07544	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1524031"	208.11799	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"424091"	178.029388	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"785385"	251.555988	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1681214"	104.502788	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"266586"	358.122168	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1237592"	211.068968	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1725387"	211.092493	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1192202"	72.0069513333333	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1663917"	216.047888	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"169686"	371.02544	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"611794"	518.07864	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1096672"	223.97224	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"154583"	186.016358	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"592685"	259.542958	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1083846"	112.489758	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1112598"	225.986792	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1351137"	226.074407	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1017514"	230.113576	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1537460"	231.107208	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"999899"	115.560426	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1602179"	232.021828	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1426620"	262.053338	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1159093"	136.073701	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1706458"	279.079885	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1639922"	284.03528	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1573384"	300.00922	"C00979"	"O-Acetyl-L-serine;O3-Acetyl-L-serine"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"805943"	407.1634	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M"	0
"982758"	388.14501	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-H2O-H"	-19.01839
"69906"	270.434990666667	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M-3H"	-3.021828
"511652"	406.156124	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M-3H"	-3.021828
"889457"	134.713857333333	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-3H"	-3.021828
"8031"	406.156124	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M-2H"	-2.014552
"451970"	609.737824	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M-2H"	-2.014552
"830504"	202.574424	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-2H"	-2.014552
"91223"	813.319524	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M-H"	-1.007276
"530056"	1220.482924	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M-H"	-1.007276
"906763"	406.156124	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-H"	-1.007276
"56036"	830.346071	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M-2H+NH4"	16.019271
"493409"	1237.509471	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M-2H+NH4"	16.019271
"867929"	423.182671	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-2H+NH4"	16.019271
"31902"	835.301466	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M-2H+Na"	20.974666
"473209"	1242.464866	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M-2H+Na"	20.974666
"852102"	428.138066	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-2H+Na"	20.974666
"1621636"	428.138066	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Na-2H"	20.974666
"95979"	424.144463	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M-H+Cl"	33.962126
"545017"	627.726163	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M-H+Cl"	33.962126
"935616"	220.562763	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-H+Cl"	33.962126
"270896"	849.296202	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+Cl"	34.969402
"666600"	1256.459602	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+Cl"	34.969402
"1282284"	442.132802	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Cl"	34.969402
"23747"	851.275406	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M-2H+K"	36.948606
"456746"	1258.438806	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M-2H+K"	36.948606
"833210"	444.112006	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-2H+K"	36.948606
"1557307"	444.112006	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+K-2H"	36.948606
"944826"	452.161594	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-H+HCOOH"	44.998194
"367417"	859.325001	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+HCOOH-H"	44.998201
"351300"	873.340651	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+Hac-H"	59.013851
"1495756"	466.177251	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Hac-H"	59.013851
"965484"	474.143551	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-H+NaCOOH"	66.980151
"116579"	442.132802	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+2Cl"	69.938804
"552862"	645.714502	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+2Cl"	69.938804
"1022753"	238.551102	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2Cl"	69.938804
"1244153"	486.082285	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Br"	78.918885
"1306235"	488.138272	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Cl+HCOOH"	80.974872
"1321185"	510.120229	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Cl+NaCOOH"	102.956829
"911632"	520.148986	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M-H+CF3COOH"	112.985586
"1294424"	556.125664	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Cl+CF3COOH"	148.962264
"1370395"	372.150724	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H-2H2O"	-35.012676
"1384612"	390.1607	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H-H2O"	-17.0027
"286487"	815.334076	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+H"	1.007276
"687658"	1222.497476	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+H"	1.007276
"1365831"	408.170676	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H"	1.007276
"140664"	408.170676	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+2H"	2.014552
"577549"	611.752376	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+2H"	2.014552
"1048537"	204.588976	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2H"	2.014552
"218995"	272.449542666667	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+3H"	3.021828
"659043"	408.170676	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+3H"	3.021828
"1176681"	136.728409333333	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+3H"	3.021828
"436307"	832.360623	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+NH4"	18.033823
"799496"	1239.524023	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+NH4"	18.033823
"1695460"	425.197223	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+NH4"	18.033823
"340825"	416.6839495	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+H+NH4"	19.041099
"736163"	620.2656495	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+H+NH4"	19.041099
"1483786"	213.1022495	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H+NH4"	19.041099
"405747"	837.316018	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+Na"	22.989218
"763460"	1244.479418	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+Na"	22.989218
"1613746"	430.152618	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Na"	22.989218
"323418"	419.161647	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+H+Na"	23.996494
"718391"	622.743347	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+H+Na"	23.996494
"1472212"	215.579947	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H+Na"	23.996494
"1063270"	144.055723333333	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2H+Na"	25.00377
"1262768"	440.196886	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+CH3OH+H"	33.033486
"378790"	853.289958	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+K"	38.963158
"739422"	1260.453358	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+K"	38.963158
"1540382"	446.126558	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+K"	38.963158
"299380"	427.148617	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+H+K"	39.970434
"692165"	630.730317	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+H+K"	39.970434
"1452184"	223.566917	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H+K"	39.970434
"241880"	856.360626	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+ACN+H"	42.033826
"1211309"	449.197226	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+ACN+H"	42.033826
"1197743"	225.102251	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+ACN+2H"	43.041102
"195714"	859.29796	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+2Na-H"	44.97116
"630902"	1266.46136	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+2Na-H"	44.97116
"1135501"	452.13456	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2Na-H"	44.97116
"176604"	430.152618	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+2Na"	45.978436
"616165"	633.734318	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+2Na"	45.978436
"1124051"	226.570918	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2Na"	45.978436
"1414141"	151.383037333333	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H+2Na"	46.985712
"1440789"	454.176146	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H+HCOOH"	47.012746
"227205"	435.18564	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+3H2O+2H"	56.04448
"1518545"	468.22819	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+IsoProp+H"	61.06479
"423905"	438.139588	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+Na+K"	61.952376
"785520"	641.721288	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+Na+K"	61.952376
"1681229"	234.557888	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Na+K"	61.952376
"262807"	878.342568	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+ACN+Na"	64.015768
"1235880"	471.179168	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+ACN+Na"	64.015768
"1726956"	471.202693	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+NH4+HCOOH"	64.039293
"1191948"	158.710351333333	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+3Na"	68.967654
"1661113"	476.158088	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Na+HCOOH"	68.994688
"170164"	891.24584	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+2K-H"	76.91904
"610448"	1298.40924	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+2K-H"	76.91904
"1096783"	484.08244	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2K-H"	76.91904
"153237"	446.126558	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"2M+2K"	77.926316
"595715"	649.708258	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"3M+2K"	77.926316
"1083390"	242.544858	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2K"	77.926316
"1112709"	486.096992	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2K+H"	78.933592
"1349825"	486.184607	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+DMSO+H"	79.021207
"1013249"	490.223776	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2ACN+H"	83.060376
"1534654"	491.217408	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+IsoProp+Na+H"	84.054008
"1002196"	245.615526	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+2ACN+2H"	84.067652
"1600709"	492.132028	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+K+HCOOH"	84.968628
"1424545"	522.163538	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+H+CF3COOH"	115.000138
"1159203"	266.128801	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+3ACN+2H"	125.094202
"1705476"	539.190085	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+NH4+CF3COOH"	132.026685
"1640032"	544.14548	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+Na+CF3COOH"	136.98208
"1585529"	560.11942	"C00982"	"Renilla luciferin"	"C26H21N3O2"	"407.1634"	"M+K+CF3COOH"	152.95602
"814801"	180.0634	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M"	0
"985055"	161.04501	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"67830"	119.034990666667	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"508482"	179.056124	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"887380"	59.0138573333333	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8141"	179.056124	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"452078"	269.087824	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"831220"	89.024424	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"91333"	359.119524	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"532355"	539.182924	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"907602"	179.056124	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"57241"	376.146071	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"498989"	556.209471	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"870594"	196.082671	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"37037"	381.101466	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"476599"	561.164866	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"852212"	201.038066	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1628308"	201.038066	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"101558"	197.044463	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"548410"	287.076163	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"933540"	107.012763	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"270640"	395.096202	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"667803"	575.159602	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1285676"	215.032802	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"23857"	397.075406	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"466700"	577.138806	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"840129"	217.012006	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1563617"	217.012006	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"950407"	225.061594	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"367528"	405.125001	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"350318"	419.140651	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1496964"	239.077251	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"967784"	247.043551	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"118878"	215.032802	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"552243"	305.064502	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1029429"	125.001102	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1242809"	258.982285	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1307080"	261.038272	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1324578"	283.020229	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"915635"	293.048986	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1292347"	329.025664	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1370507"	145.050724	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1384724"	163.0607	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"287690"	361.134076	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"687768"	541.197476	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1354276"	181.070676	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"129352"	181.070676	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"570005"	271.102376	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1048647"	91.038976	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"217283"	121.049542666667	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"658424"	181.070676	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1176062"	61.0284093333333	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"436417"	378.160623	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"800578"	558.224023	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1695813"	198.097223	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"339841"	189.5839495	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"733357"	279.6156495	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1484989"	99.5522495	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"403669"	383.116018	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"764662"	563.179418	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1613856"	203.052618	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"324985"	192.061647	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"719230"	282.093347	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1467948"	102.029947	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1057915"	68.3557233333333	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1261785"	213.096886	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"377196"	399.089958	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"743545"	579.153358	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1545598"	219.026558	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"308241"	200.048617	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"698476"	290.080317	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1453389"	110.016917	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"240897"	402.160626	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1212148"	222.097226	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1199677"	111.552251	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"192914"	405.09796	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"636484"	585.16136	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1139991"	225.03456	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"179998"	203.052618	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"619558"	293.084318	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1128167"	113.020918	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1413160"	75.6830373333333	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1441266"	227.076146	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231326"	208.08564	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520482"	241.12819	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"419438"	211.039588	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"781894"	301.071288	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1678951"	121.007888	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265110"	424.142568	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1238184"	244.079168	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1727070"	244.102693	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1192425"	83.0103513333333	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1662684"	249.058088	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"172218"	437.04584	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"608737"	617.10924	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1096165"	256.98244	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"153348"	219.026558	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"592542"	309.058258	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1083136"	128.994858	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1113306"	258.996992	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1349207"	259.084607	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1014453"	263.123776	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1532578"	264.117408	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1002306"	132.065526	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1599725"	265.032028	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1424654"	295.063538	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1157126"	152.578801	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1705586"	312.090085	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1639049"	317.04548	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1585639"	333.01942	"C00984"	"alpha-D-Galactose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"806164"	74.0844	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M"	0
"987352"	55.06601	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-H2O-H"	-19.01839
"70125"	48.382324	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M-3H"	-3.021828
"518076"	73.077124	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M-3H"	-3.021828
"890771"	23.687524	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-3H"	-3.021828
"15498"	73.077124	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M-2H"	-2.014552
"451827"	110.119324	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M-2H"	-2.014552
"831451"	36.034924	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-2H"	-2.014552
"85610"	147.161524	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M-H"	-1.007276
"522984"	221.245924	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M-H"	-1.007276
"901882"	73.077124	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-H"	-1.007276
"54069"	164.188071	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M-2H+NH4"	16.019271
"496913"	238.272471	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M-2H+NH4"	16.019271
"868881"	90.103671	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-2H+NH4"	16.019271
"42616"	169.143466	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M-2H+Na"	20.974666
"476709"	243.227866	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M-2H+Na"	20.974666
"857793"	95.059066	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-2H+Na"	20.974666
"1628419"	95.059066	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Na-2H"	20.974666
"104949"	91.065463	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M-H+Cl"	33.962126
"547429"	128.107663	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M-H+Cl"	33.962126
"927938"	54.023263	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-H+Cl"	33.962126
"268561"	183.138202	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+Cl"	34.969402
"665727"	257.222602	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+Cl"	34.969402
"1287369"	109.053802	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Cl"	34.969402
"29436"	185.117406	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M-2H+K"	36.948606
"465717"	259.201806	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M-2H+K"	36.948606
"838052"	111.033006	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-2H+K"	36.948606
"1564821"	111.033006	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+K-2H"	36.948606
"954891"	119.082594	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-H+HCOOH"	44.998194
"367639"	193.167001	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+HCOOH-H"	44.998201
"353709"	207.182651	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+Hac-H"	59.013851
"1501448"	133.098251	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Hac-H"	59.013851
"967894"	141.064551	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-H+NaCOOH"	66.980151
"114618"	109.053802	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+2Cl"	69.938804
"554178"	146.096002	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+2Cl"	69.938804
"1029539"	72.011602	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2Cl"	69.938804
"1244741"	153.003285	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Br"	78.918885
"1309378"	155.059272	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Cl+HCOOH"	80.974872
"1326875"	177.041229	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Cl+NaCOOH"	102.956829
"924378"	187.069986	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M-H+CF3COOH"	112.985586
"1294645"	223.046664	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Cl+CF3COOH"	148.962264
"1373900"	39.071724	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H-2H2O"	-35.012676
"1388117"	57.0817	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H-H2O"	-17.0027
"291087"	149.176076	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+H"	1.007276
"681319"	223.260476	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+H"	1.007276
"1360948"	75.091676	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H"	1.007276
"129463"	75.091676	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+2H"	2.014552
"576678"	112.133876	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+2H"	2.014552
"1049128"	38.049476	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2H"	2.014552
"215206"	50.396876	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+3H"	3.021828
"655132"	75.091676	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+3H"	3.021828
"1172895"	25.702076	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+3H"	3.021828
"435436"	166.202623	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+NH4"	18.033823
"795343"	240.287023	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+NH4"	18.033823
"1688391"	92.118223	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+NH4"	18.033823
"333387"	83.6049495	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+H+NH4"	19.041099
"726902"	120.6471495	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+H+NH4"	19.041099
"1478898"	46.5627495	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H+NH4"	19.041099
"396122"	171.158018	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+Na"	22.989218
"757119"	245.242418	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+Na"	22.989218
"1604731"	97.073618	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Na"	22.989218
"324004"	86.082647	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+H+Na"	23.996494
"715330"	123.124847	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+H+Na"	23.996494
"1462346"	49.040447	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H+Na"	23.996494
"1054021"	33.02939	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2H+Na"	25.00377
"1260074"	107.117886	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+CH3OH+H"	33.033486
"379377"	187.131958	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+K"	38.963158
"740371"	261.216358	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+K"	38.963158
"1540721"	113.047558	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+K"	38.963158
"303246"	94.069617	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+H+K"	39.970434
"697125"	131.111817	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+H+K"	39.970434
"1457144"	57.027417	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H+K"	39.970434
"239912"	190.202626	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+ACN+H"	42.033826
"1215901"	116.118226	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+ACN+H"	42.033826
"1205983"	58.562751	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+ACN+2H"	43.041102
"191930"	193.13996	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+2Na-H"	44.97116
"633307"	267.22436	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+2Na-H"	44.97116
"1133535"	119.05556	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2Na-H"	44.97116
"182294"	97.073618	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+2Na"	45.978436
"618574"	134.115818	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+2Na"	45.978436
"1128286"	60.031418	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2Na"	45.978436
"1409257"	40.356704	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H+2Na"	46.985712
"1444778"	121.097146	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H+HCOOH"	47.012746
"233985"	102.10664	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+3H2O+2H"	56.04448
"1522780"	135.14919	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+IsoProp+H"	61.06479
"423192"	105.060588	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+Na+K"	61.952376
"785162"	142.102788	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+Na+K"	61.952376
"1677242"	68.018388	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Na+K"	61.952376
"262302"	212.184568	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+ACN+Na"	64.015768
"1237928"	138.100168	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+ACN+Na"	64.015768
"1725720"	138.123693	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+NH4+HCOOH"	64.039293
"1192897"	47.684018	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+3Na"	68.967654
"1662062"	143.079088	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Na+HCOOH"	68.994688
"169288"	225.08784	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+2K-H"	76.91904
"609213"	299.17224	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+2K-H"	76.91904
"1094820"	151.00344	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2K-H"	76.91904
"153823"	113.047558	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"2M+2K"	77.926316
"593749"	150.089758	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"3M+2K"	77.926316
"1083125"	76.005358	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2K"	77.926316
"1114757"	153.017992	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2K+H"	78.933592
"1347856"	153.105607	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+DMSO+H"	79.021207
"1016751"	157.144776	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2ACN+H"	83.060376
"1531593"	158.138408	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+IsoProp+Na+H"	84.054008
"999136"	79.076026	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+2ACN+2H"	84.067652
"1594729"	159.053028	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+K+HCOOH"	84.968628
"1426950"	189.084538	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+H+CF3COOH"	115.000138
"1153957"	99.589301	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+3ACN+2H"	125.094202
"1703508"	206.111085	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+NH4+CF3COOH"	132.026685
"1649007"	211.06648	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+Na+CF3COOH"	136.98208
"1585750"	227.04042	"C00986"	"13-Diaminopropane;Trimethylenediamine;13-Propanediamine;Propane-13-diamine"	"C3H10N2"	"74.0844"	"M+K+CF3COOH"	152.95602
"806274"	155.9824	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M"	0
"983087"	136.96401	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-H2O-H"	-19.01839
"69142"	102.980990666667	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M-3H"	-3.021828
"518065"	154.975124	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M-3H"	-3.021828
"887601"	50.9868573333333	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-3H"	-3.021828
"2165"	154.975124	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M-2H"	-2.014552
"453030"	232.966324	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M-2H"	-2.014552
"829009"	76.983924	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-2H"	-2.014552
"85720"	310.957524	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M-H"	-1.007276
"523094"	466.939924	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M-H"	-1.007276
"901992"	154.975124	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-H"	-1.007276
"53085"	327.984071	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M-2H+NH4"	16.019271
"502415"	483.966471	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M-2H+NH4"	16.019271
"878105"	172.001671	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-2H+NH4"	16.019271
"46374"	332.939466	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M-2H+Na"	20.974666
"485567"	488.921866	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M-2H+Na"	20.974666
"856811"	176.957066	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-2H+Na"	20.974666
"1630356"	176.957066	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Na-2H"	20.974666
"103967"	172.963463	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M-H+Cl"	33.962126
"548632"	250.954663	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M-H+Cl"	33.962126
"928534"	94.972263	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-H+Cl"	33.962126
"271952"	346.934202	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+Cl"	34.969402
"663649"	502.916602	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+Cl"	34.969402
"1281521"	190.951802	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Cl"	34.969402
"22983"	348.913406	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M-2H+K"	36.948606
"460359"	504.895806	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M-2H+K"	36.948606
"839255"	192.931006	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-2H+K"	36.948606
"1559463"	192.931006	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+K-2H"	36.948606
"954638"	200.980594	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-H+HCOOH"	44.998194
"371029"	356.963001	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+HCOOH-H"	44.998201
"349445"	370.978651	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+Hac-H"	59.013851
"1496090"	214.996251	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Hac-H"	59.013851
"965817"	222.962551	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-H+NaCOOH"	66.980151
"116915"	190.951802	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+2Cl"	69.938804
"554288"	268.943002	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+2Cl"	69.938804
"1027462"	112.960602	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2Cl"	69.938804
"1247037"	234.901285	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Br"	78.918885
"1311674"	236.957272	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Cl+HCOOH"	80.974872
"1325890"	258.939229	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Cl+NaCOOH"	102.956829
"920235"	268.967986	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M-H+CF3COOH"	112.985586
"1295848"	304.944664	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Cl+CF3COOH"	148.962264
"1374010"	120.969724	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H-2H2O"	-35.012676
"1388226"	138.9797	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H-H2O"	-17.0027
"291195"	312.972076	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+H"	1.007276
"681429"	468.954476	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+H"	1.007276
"1361058"	156.989676	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H"	1.007276
"131759"	156.989676	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+2H"	2.014552
"576788"	234.980876	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+2H"	2.014552
"1046682"	78.998476	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2H"	2.014552
"214582"	104.995542666667	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+3H"	3.021828
"654146"	156.989676	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+3H"	3.021828
"1173365"	53.0014093333333	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+3H"	3.021828
"437371"	329.998623	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+NH4"	18.033823
"797638"	485.981023	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+NH4"	18.033823
"1687407"	174.016223	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+NH4"	18.033823
"332401"	165.5029495	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+H+NH4"	19.041099
"729198"	243.4941495	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+H+NH4"	19.041099
"1479006"	87.5117495	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H+NH4"	19.041099
"396232"	334.954018	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+Na"	22.989218
"759415"	490.936418	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+Na"	22.989218
"1607514"	178.971618	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Na"	22.989218
"326301"	167.980647	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+H+Na"	23.996494
"716535"	245.971847	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+H+Na"	23.996494
"1469263"	89.989447	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H+Na"	23.996494
"1054981"	60.3287233333333	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2H+Na"	25.00377
"1262007"	189.015886	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+CH3OH+H"	33.033486
"380217"	350.927958	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+K"	38.963158
"740846"	506.910358	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+K"	38.963158
"1543264"	194.945558	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+K"	38.963158
"303720"	175.967617	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+H+K"	39.970434
"696507"	253.958817	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+H+K"	39.970434
"1456887"	97.976417	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H+K"	39.970434
"248770"	353.998626	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+ACN+H"	42.033826
"1218197"	198.016226	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+ACN+H"	42.033826
"1208523"	99.511751	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+ACN+2H"	43.041102
"197142"	356.93596	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+2Na-H"	44.97116
"635607"	512.91836	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+2Na-H"	44.97116
"1139112"	200.95356	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2Na-H"	44.97116
"180216"	178.971618	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+2Na"	45.978436
"623058"	256.962818	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+2Na"	45.978436
"1128031"	100.980418	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2Na"	45.978436
"1409000"	67.6560373333333	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H+2Na"	46.985712
"1443672"	202.995146	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H+HCOOH"	47.012746
"231908"	184.00464	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+3H2O+2H"	56.04448
"1520703"	217.04719	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+IsoProp+H"	61.06479
"422938"	186.958588	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+Na+K"	61.952376
"784300"	264.949788	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+Na+K"	61.952376
"1675165"	108.967388	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Na+K"	61.952376
"260954"	375.980568	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+ACN+Na"	64.015768
"1236216"	219.998168	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+ACN+Na"	64.015768
"1724374"	220.021693	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+NH4+HCOOH"	64.039293
"1190820"	74.9833513333333	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+3Na"	68.967654
"1662172"	224.977088	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Na+HCOOH"	68.994688
"168669"	388.88384	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+2K-H"	76.91904
"611147"	544.86624	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+2K-H"	76.91904
"1098699"	232.90144	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2K-H"	76.91904
"153568"	194.945558	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"2M+2K"	77.926316
"594952"	272.936758	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"3M+2K"	77.926316
"1082263"	116.954358	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2K"	77.926316
"1114992"	234.915992	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2K+H"	78.933592
"1347601"	235.003607	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+DMSO+H"	79.021207
"1016860"	239.042776	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2ACN+H"	83.060376
"1526355"	240.036408	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+IsoProp+Na+H"	84.054008
"998152"	120.025026	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+2ACN+2H"	84.067652
"1594840"	240.951028	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+K+HCOOH"	84.968628
"1427790"	270.982538	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+H+CF3COOH"	115.000138
"1155161"	140.538301	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+3ACN+2H"	125.094202
"1703618"	288.009085	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+NH4+CF3COOH"	132.026685
"1649117"	292.96448	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+Na+CF3COOH"	136.98208
"1585860"	308.93842	"C00988"	"2-Phosphoglycolate;Phosphoglycolic acid"	"C2H5O6P"	"155.9824"	"M+K+CF3COOH"	152.95602
"806384"	104.0473	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M"	0
"979916"	85.02891	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"72531"	68.3575906666667	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"517202"	103.040024	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"887711"	33.6751573333333	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"330"	103.040024	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"452411"	155.063674	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"831429"	51.016374	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"89110"	207.087324	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"526484"	311.134624	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"902101"	103.040024	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"53194"	224.113871	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"497133"	328.161171	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"868372"	120.066571	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"36275"	229.069266	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"476929"	333.116566	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"858014"	125.021966	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1630830"	125.021966	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"104077"	121.028363	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"548012"	173.052013	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"929129"	69.004713	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"271334"	243.064002	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"663759"	347.111302	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1279445"	139.016702	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"23093"	245.043206	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"460469"	349.090506	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"838272"	140.995906	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1560665"	140.995906	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"955110"	149.045494	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"368952"	253.092801	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"351741"	267.108451	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1499479"	163.061151	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"962647"	171.027451	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"117025"	139.016702	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"554398"	191.040352	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1027572"	86.993052	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1247147"	182.966185	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1310691"	185.022172	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1326000"	207.004129	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"920346"	217.032886	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1294865"	253.009564	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1374120"	69.034624	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1387243"	87.0446	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"288025"	209.101876	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"678259"	313.149176	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1357885"	105.054576	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"130772"	105.054576	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"570700"	157.078226	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1043510"	53.030926	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"211776"	70.3721426666667	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"650243"	105.054576	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1172380"	35.6897093333333	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"435653"	226.128423	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"794461"	330.175723	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1684601"	122.081123	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"331782"	113.5678495	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"725295"	165.5914995	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1479480"	61.5441995	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"395247"	231.083818	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"756243"	335.131118	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1605437"	127.036518	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"323131"	116.045547	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"716646"	168.069197	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1469377"	64.021897	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1054969"	43.0170233333333	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1258835"	137.080786	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"379597"	247.057758	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"738767"	351.105058	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1540943"	143.010458	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"301279"	124.032517	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"699897"	176.056167	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1454810"	72.008867	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"244506"	250.128426	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1223775"	146.081126	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1203285"	73.544201	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"199437"	253.06576	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"634624"	357.11306	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1140316"	149.01846	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"182513"	127.036518	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"619888"	179.060168	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1128503"	75.012868	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1410569"	50.3443373333333	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1444145"	151.060046	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"232746"	132.06954	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1521541"	165.11209	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"423045"	135.023488	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"783680"	187.047138	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1674909"	82.999838	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"265074"	272.110368	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1238512"	168.063068	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1726306"	168.086593	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1193479"	57.6716513333333	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1664468"	173.041988	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"171329"	285.01364	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"610527"	389.06094	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1098323"	180.96634	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"154043"	143.010458	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"594700"	195.034108	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1082129"	90.986808	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1115452"	182.980892	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1349534"	183.068507	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1017701"	187.107676	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1525493"	188.101308	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"994983"	94.057476	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1596045"	189.015928	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1426078"	219.047438	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1155272"	114.570751	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1701543"	236.073985	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1648499"	241.02938	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1585970"	257.00332	"C00989"	"4-Hydroxybutanoic acid;4-Hydroxybutanoate;4-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"806494"	116.095	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M"	0
"983306"	97.07661	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-H2O-H"	-19.01839
"72641"	76.3893906666667	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M-3H"	-3.021828
"517555"	115.087724	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M-3H"	-3.021828
"887821"	37.6910573333333	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-3H"	-3.021828
"602"	115.087724	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M-2H"	-2.014552
"452521"	173.135224	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M-2H"	-2.014552
"829958"	57.040224	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-2H"	-2.014552
"89220"	231.182724	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M-H"	-1.007276
"526594"	347.277724	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M-H"	-1.007276
"899292"	115.087724	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-H"	-1.007276
"48563"	248.209271	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M-2H+NH4"	16.019271
"492139"	364.304271	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M-2H+NH4"	16.019271
"867024"	132.114271	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-2H+NH4"	16.019271
"36749"	253.164666	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M-2H+Na"	20.974666
"477403"	369.259666	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M-2H+Na"	20.974666
"858124"	137.069666	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-2H+Na"	20.974666
"1629481"	137.069666	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Na-2H"	20.974666
"104187"	133.076063	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M-H+Cl"	33.962126
"545935"	191.123563	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M-H+Cl"	33.962126
"927420"	75.028563	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-H+Cl"	33.962126
"269257"	267.159402	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+Cl"	34.969402
"663869"	383.254402	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+Cl"	34.969402
"1280648"	151.064402	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Cl"	34.969402
"22111"	269.138606	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M-2H+K"	36.948606
"459486"	385.233606	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M-2H+K"	36.948606
"839475"	153.043606	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-2H+K"	36.948606
"1562962"	153.043606	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+K-2H"	36.948606
"954127"	161.093194	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-H+HCOOH"	44.998194
"369062"	277.188201	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+HCOOH-H"	44.998201
"349665"	291.203851	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+Hac-H"	59.013851
"1506149"	175.108851	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Hac-H"	59.013851
"963848"	183.075151	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-H+NaCOOH"	66.980151
"114948"	151.064402	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+2Cl"	69.938804
"551592"	209.111902	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+2Cl"	69.938804
"1027682"	93.016902	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2Cl"	69.938804
"1243977"	195.013885	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Br"	78.918885
"1310801"	197.069872	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Cl+HCOOH"	80.974872
"1326110"	219.051829	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Cl+NaCOOH"	102.956829
"919362"	229.080586	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M-H+CF3COOH"	112.985586
"1296069"	265.057264	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Cl+CF3COOH"	148.962264
"1375323"	81.082324	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H-2H2O"	-35.012676
"1388446"	99.0923	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H-H2O"	-17.0027
"289227"	233.197276	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+H"	1.007276
"679461"	349.292276	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+H"	1.007276
"1356900"	117.102276	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H"	1.007276
"131975"	117.102276	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+2H"	2.014552
"570443"	175.149776	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+2H"	2.014552
"1044713"	59.054776	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2H"	2.014552
"211520"	78.4039426666667	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+3H"	3.021828
"651081"	117.102276	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+3H"	3.021828
"1171397"	39.7056093333333	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+3H"	3.021828
"434670"	250.223823	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+NH4"	18.033823
"794572"	366.318823	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+NH4"	18.033823
"1682157"	134.128823	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+NH4"	18.033823
"331165"	125.6155495	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+H+NH4"	19.041099
"725406"	183.6630495	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+H+NH4"	19.041099
"1479958"	67.5680495	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H+NH4"	19.041099
"394627"	255.179218	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+Na"	22.989218
"759634"	371.274218	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+Na"	22.989218
"1604454"	139.084218	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Na"	22.989218
"323241"	128.093247	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+H+Na"	23.996494
"715663"	186.140747	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+H+Na"	23.996494
"1468393"	70.045747	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H+Na"	23.996494
"1054229"	47.0329233333333	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2H+Na"	25.00377
"1258945"	149.128486	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+CH3OH+H"	33.033486
"379708"	271.153158	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+K"	38.963158
"738655"	387.248158	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+K"	38.963158
"1540689"	155.058158	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+K"	38.963158
"300659"	136.080217	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+H+K"	39.970434
"695633"	194.127717	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+H+K"	39.970434
"1453827"	78.032717	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H+K"	39.970434
"244615"	274.223826	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+ACN+H"	42.033826
"1223157"	158.128826	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+ACN+H"	42.033826
"1206675"	79.568051	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+ACN+2H"	43.041102
"202587"	277.16116	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+2Na-H"	44.97116
"635827"	393.25616	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+2Na-H"	44.97116
"1137146"	161.06616	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2Na-H"	44.97116
"180436"	139.084218	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+2Na"	45.978436
"626558"	197.131718	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+2Na"	45.978436
"1126427"	81.036718	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2Na"	45.978436
"1409951"	54.3602373333333	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H+2Na"	46.985712
"1442797"	163.107746	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H+HCOOH"	47.012746
"232126"	144.11724	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+3H2O+2H"	56.04448
"1520922"	177.15979	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+IsoProp+H"	61.06479
"422427"	147.071188	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+Na+K"	61.952376
"783063"	205.118688	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+Na+K"	61.952376
"1680361"	89.023688	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Na+K"	61.952376
"263361"	296.205768	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+ACN+Na"	64.015768
"1235341"	180.110768	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+ACN+Na"	64.015768
"1723134"	180.134293	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+NH4+HCOOH"	64.039293
"1190309"	61.6875513333333	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+3Na"	68.967654
"1663848"	185.089688	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Na+HCOOH"	68.994688
"169614"	309.10904	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+2K-H"	76.91904
"610635"	425.20404	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+2K-H"	76.91904
"1097337"	193.01404	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2K-H"	76.91904
"151964"	155.058158	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"2M+2K"	77.926316
"596025"	213.105658	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"3M+2K"	77.926316
"1082239"	97.010658	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2K"	77.926316
"1115083"	195.028592	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2K+H"	78.933592
"1348551"	195.116207	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+DMSO+H"	79.021207
"1018175"	199.155376	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2ACN+H"	83.060376
"1530831"	200.149008	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+IsoProp+Na+H"	84.054008
"998373"	100.081326	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+2ACN+2H"	84.067652
"1593968"	201.063628	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+K+HCOOH"	84.968628
"1427280"	231.095138	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+H+CF3COOH"	115.000138
"1154289"	120.594601	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+3ACN+2H"	125.094202
"1703839"	248.121685	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+NH4+CF3COOH"	132.026685
"1648609"	253.07708	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+Na+CF3COOH"	136.98208
"1586080"	269.05102	"C00990"	"5-Aminopentanamide"	"C5H12N2O"	"116.095"	"M+K+CF3COOH"	152.95602
"809886"	1346.5749	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M"	0
"976127"	1327.55651	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-H2O-H"	-19.01839
"77984"	896.709324	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M-3H"	-3.021828
"516691"	1345.567624	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M-3H"	-3.021828
"894492"	447.851024	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-3H"	-3.021828
"14166"	1345.567624	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M-2H"	-2.014552
"449350"	2018.855074	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M-2H"	-2.014552
"823873"	672.280174	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-2H"	-2.014552
"82771"	2692.142524	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M-H"	-1.007276
"524518"	4038.717424	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M-H"	-1.007276
"899039"	1345.567624	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-H"	-1.007276
"52325"	2709.169071	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M-2H+NH4"	16.019271
"494073"	4055.743971	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M-2H+NH4"	16.019271
"874063"	1362.594171	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-2H+NH4"	16.019271
"36860"	2714.124466	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M-2H+Na"	20.974666
"477879"	4060.699366	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M-2H+Na"	20.974666
"854954"	1367.549566	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-2H+Na"	20.974666
"1628860"	1367.549566	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Na-2H"	20.974666
"99924"	1363.555963	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M-H+Cl"	33.962126
"535832"	2036.843413	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M-H+Cl"	33.962126
"927529"	690.268513	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-H+Cl"	33.962126
"271559"	2728.119202	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+Cl"	34.969402
"661794"	4074.694102	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+Cl"	34.969402
"1277478"	1381.544302	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Cl"	34.969402
"18943"	2730.098406	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M-2H+K"	36.948606
"463971"	4076.673306	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M-2H+K"	36.948606
"838493"	1383.523506	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-2H+K"	36.948606
"1559794"	1383.523506	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+K-2H"	36.948606
"950956"	1391.573094	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-H+HCOOH"	44.998194
"370264"	2738.148001	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+HCOOH-H"	44.998201
"353053"	2752.163651	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+Hac-H"	59.013851
"1497511"	1405.588751	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Hac-H"	59.013851
"958980"	1413.555051	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-H+NaCOOH"	66.980151
"112870"	1381.544302	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+2Cl"	69.938804
"552796"	2054.831752	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+2Cl"	69.938804
"1022808"	708.256852	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2Cl"	69.938804
"1248466"	1425.493785	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Br"	78.918885
"1312008"	1427.549772	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Cl+HCOOH"	80.974872
"1321854"	1449.531729	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Cl+NaCOOH"	102.956829
"917285"	1459.560486	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M-H+CF3COOH"	112.985586
"1295087"	1495.537164	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Cl+CF3COOH"	148.962264
"1371063"	1311.562224	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H-2H2O"	-35.012676
"1387466"	1329.5722	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H-H2O"	-17.0027
"283507"	2694.157076	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+H"	1.007276
"679571"	4040.731976	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+H"	1.007276
"1357013"	1347.582176	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H"	1.007276
"130996"	1347.582176	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+2H"	2.014552
"570919"	2020.869626	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+2H"	2.014552
"1043000"	674.294726	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2H"	2.014552
"212727"	898.723876	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+3H"	3.021828
"651193"	1347.582176	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+3H"	3.021828
"1173698"	449.865576	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+3H"	3.021828
"433688"	2711.183623	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+NH4"	18.033823
"788125"	4057.758523	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+NH4"	18.033823
"1682995"	1364.608723	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+NH4"	18.033823
"332732"	1356.0954495	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+H+NH4"	19.041099
"725883"	2029.3828995	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+H+NH4"	19.041099
"1478609"	682.8079995	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H+NH4"	19.041099
"394741"	2716.139018	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+Na"	22.989218
"761935"	4062.713918	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+Na"	22.989218
"1607849"	1369.564118	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Na"	22.989218
"317887"	1358.573147	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+H+Na"	23.996494
"713590"	2031.860597	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+H+Na"	23.996494
"1464132"	685.285697	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H+Na"	23.996494
"1057380"	457.19289	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2H+Na"	25.00377
"1262339"	1379.608386	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+CH3OH+H"	33.033486
"379210"	2732.112958	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+K"	38.963158
"740082"	4078.687858	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+K"	38.963158
"1541770"	1385.538058	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+K"	38.963158
"303321"	1366.560117	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+H+K"	39.970434
"696835"	2039.847567	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+H+K"	39.970434
"1452842"	693.272667	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H+K"	39.970434
"239258"	2735.183626	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+ACN+H"	42.033826
"1220714"	1388.608726	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+ACN+H"	42.033826
"1202412"	694.808001	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+ACN+2H"	43.041102
"194189"	2738.12096	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+2Na-H"	44.97116
"632656"	4084.69586	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+2Na-H"	44.97116
"1135071"	1391.54606	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2Na-H"	44.97116
"176537"	1369.564118	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+2Na"	45.978436
"621210"	2042.851568	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+2Na"	45.978436
"1124715"	696.276668	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2Na"	45.978436
"1410791"	464.520204	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H+2Na"	46.985712
"1442176"	1393.587646	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H+HCOOH"	47.012746
"232965"	1374.59714	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+3H2O+2H"	56.04448
"1520299"	1407.63969	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+IsoProp+H"	61.06479
"422174"	1377.551088	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+Na+K"	61.952376
"783167"	2050.838538	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+Na+K"	61.952376
"1675130"	704.263638	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Na+K"	61.952376
"261284"	2757.165568	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+ACN+Na"	64.015768
"1232169"	1410.590668	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+ACN+Na"	64.015768
"1723243"	1410.614193	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+NH4+HCOOH"	64.039293
"1189694"	471.847518	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+3Na"	68.967654
"1660680"	1415.569588	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Na+HCOOH"	68.994688
"166449"	2770.06884	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+2K-H"	76.91904
"607103"	4116.64374	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+2K-H"	76.91904
"1097448"	1423.49394	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2K-H"	76.91904
"153900"	1385.538058	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"2M+2K"	77.926316
"596016"	2058.825508	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"3M+2K"	77.926316
"1083809"	712.250608	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2K"	77.926316
"1106806"	1425.508492	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2K+H"	78.933592
"1347567"	1425.596107	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+DMSO+H"	79.021207
"1007346"	1429.635276	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2ACN+H"	83.060376
"1527658"	1430.628908	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+IsoProp+Na+H"	84.054008
"996295"	715.321276	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+2ACN+2H"	84.067652
"1595170"	1431.543528	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+K+HCOOH"	84.968628
"1418645"	1461.575038	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+H+CF3COOH"	115.000138
"1148932"	735.834551	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+3ACN+2H"	125.094202
"1707237"	1478.601585	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+NH4+CF3COOH"	132.026685
"1645075"	1483.55698	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+Na+CF3COOH"	136.98208
"1586191"	1499.53092	"C00992"	"Aquacob(III)alamin;Aquacobalamin"	"C62H90CoN13O15P"	"1346.5749"	"M+K+CF3COOH"	152.95602
"809996"	160.0848	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M"	0
"980247"	141.06641	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-H2O-H"	-19.01839
"76518"	105.715924	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M-3H"	-3.021828
"516802"	159.077524	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M-3H"	-3.021828
"894360"	52.354324	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-3H"	-3.021828
"6623"	159.077524	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M-2H"	-2.014552
"451648"	239.119924	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M-2H"	-2.014552
"823983"	79.035124	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-2H"	-2.014552
"81058"	319.162324	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M-H"	-1.007276
"520981"	479.247124	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M-H"	-1.007276
"898054"	159.077524	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-H"	-1.007276
"57904"	336.188871	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M-2H+NH4"	16.019271
"494183"	496.273671	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M-2H+NH4"	16.019271
"874173"	176.104071	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-2H+NH4"	16.019271
"37334"	341.144266	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M-2H+Na"	20.974666
"480542"	501.229066	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M-2H+Na"	20.974666
"855064"	181.059466	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-2H+Na"	20.974666
"1627877"	181.059466	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Na-2H"	20.974666
"103315"	177.065863	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M-H+Cl"	33.962126
"535946"	257.108263	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M-H+Cl"	33.962126
"930189"	97.023463	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-H+Cl"	33.962126
"269483"	355.139002	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+Cl"	34.969402
"665184"	515.223802	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+Cl"	34.969402
"1273576"	195.054202	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Cl"	34.969402
"25615"	357.118206	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M-2H+K"	36.948606
"458613"	517.203006	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M-2H+K"	36.948606
"837510"	197.033406	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-2H+K"	36.948606
"1566466"	197.033406	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+K-2H"	36.948606
"949974"	205.082994	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-H+HCOOH"	44.998194
"371469"	365.167801	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+HCOOH-H"	44.998201
"355350"	379.183451	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+Hac-H"	59.013851
"1500901"	219.098651	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Hac-H"	59.013851
"960430"	227.064951	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-H+NaCOOH"	66.980151
"112982"	195.054202	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+2Cl"	69.938804
"554730"	275.096602	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+2Cl"	69.938804
"1026808"	115.011802	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2Cl"	69.938804
"1248576"	239.003685	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Br"	78.918885
"1308836"	241.059672	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Cl+HCOOH"	80.974872
"1325243"	263.041629	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Cl+NaCOOH"	102.956829
"914116"	273.070386	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M-H+CF3COOH"	112.985586
"1295197"	309.047064	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Cl+CF3COOH"	148.962264
"1373360"	125.072124	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H-2H2O"	-35.012676
"1385388"	143.0821	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H-H2O"	-17.0027
"285441"	321.176876	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+H"	1.007276
"676401"	481.261676	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+H"	1.007276
"1351776"	161.092076	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H"	1.007276
"128920"	161.092076	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+2H"	2.014552
"569209"	241.134476	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+2H"	2.014552
"1043475"	81.049676	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2H"	2.014552
"211743"	107.730476	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+3H"	3.021828
"654583"	161.092076	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+3H"	3.021828
"1173808"	54.368876	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+3H"	3.021828
"435985"	338.203423	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+NH4"	18.033823
"788235"	498.288223	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+NH4"	18.033823
"1683835"	178.118623	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+NH4"	18.033823
"333572"	169.6053495	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+H+NH4"	19.041099
"725627"	249.6477495	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+H+NH4"	19.041099
"1478353"	89.5629495	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H+NH4"	19.041099
"394851"	343.158818	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+Na"	22.989218
"760952"	503.243618	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+Na"	22.989218
"1610145"	183.074018	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Na"	22.989218
"318360"	172.083047	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+H+Na"	23.996494
"713695"	252.125447	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+H+Na"	23.996494
"1464606"	92.040647	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H+Na"	23.996494
"1055057"	61.69619	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2H+Na"	25.00377
"1257375"	193.118286	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+CH3OH+H"	33.033486
"378227"	359.132758	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+K"	38.963158
"738684"	519.217558	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+K"	38.963158
"1541879"	199.047958	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+K"	38.963158
"299787"	180.070017	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+H+K"	39.970434
"696946"	260.112417	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+H+K"	39.970434
"1451860"	100.027617	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H+K"	39.970434
"241555"	362.203426	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+ACN+H"	42.033826
"1223011"	202.118626	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+ACN+H"	42.033826
"1200335"	101.562951	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+ACN+2H"	43.041102
"198673"	365.14076	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+2Na-H"	44.97116
"634953"	525.22556	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+2Na-H"	44.97116
"1136275"	205.05596	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2Na-H"	44.97116
"178471"	183.074018	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+2Na"	45.978436
"625694"	263.116418	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+2Na"	45.978436
"1128837"	103.031618	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2Na"	45.978436
"1412360"	69.023504	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H+2Na"	46.985712
"1443382"	207.097546	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H+HCOOH"	47.012746
"233443"	188.10704	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+3H2O+2H"	56.04448
"1521138"	221.14959	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+IsoProp+H"	61.06479
"421554"	191.060988	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+Na+K"	61.952376
"784007"	271.103388	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+Na+K"	61.952376
"1674146"	111.018588	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Na+K"	61.952376
"260669"	384.185368	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+ACN+Na"	64.015768
"1234468"	224.100568	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+ACN+Na"	64.015768
"1725542"	224.124093	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+NH4+HCOOH"	64.039293
"1191630"	76.350818	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+3Na"	68.967654
"1661883"	229.079488	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Na+HCOOH"	68.994688
"168747"	397.08864	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+2K-H"	76.91904
"606118"	557.17344	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+2K-H"	76.91904
"1098288"	237.00384	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2K-H"	76.91904
"148542"	199.047958	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"2M+2K"	77.926316
"596611"	279.090358	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"3M+2K"	77.926316
"1081364"	119.005558	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2K"	77.926316
"1106916"	239.018392	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2K+H"	78.933592
"1347678"	239.106007	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+DMSO+H"	79.021207
"1007088"	243.145176	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2ACN+H"	83.060376
"1531049"	244.138808	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+IsoProp+Na+H"	84.054008
"991177"	122.076226	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+2ACN+2H"	84.067652
"1594185"	245.053428	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+K+HCOOH"	84.968628
"1417661"	275.084938	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+H+CF3COOH"	115.000138
"1151228"	142.589501	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+3ACN+2H"	125.094202
"1707347"	292.111485	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+NH4+CF3COOH"	132.026685
"1648101"	297.06688	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+Na+CF3COOH"	136.98208
"1586301"	313.04082	"C00993"	"D-Alanyl-D-alanine;D-Ala-D-Ala"	"C6H12N2O3"	"160.0848"	"M+K+CF3COOH"	152.95602
"810106"	298.0689	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M"	0
"980357"	279.05051	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-H2O-H"	-19.01839
"65317"	197.705324	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M-3H"	-3.021828
"516547"	297.061624	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M-3H"	-3.021828
"894712"	98.349024	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-3H"	-3.021828
"13293"	297.061624	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M-2H"	-2.014552
"454879"	446.096074	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M-2H"	-2.014552
"828467"	148.027174	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-2H"	-2.014552
"84451"	595.130524	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M-H"	-1.007276
"526926"	893.199424	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M-H"	-1.007276
"897192"	297.061624	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-H"	-1.007276
"52545"	612.157071	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M-2H+NH4"	16.019271
"495386"	910.225971	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M-2H+NH4"	16.019271
"876108"	314.088171	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-2H+NH4"	16.019271
"37080"	617.112466	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M-2H+Na"	20.974666
"482839"	915.181366	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M-2H+Na"	20.974666
"855174"	319.043566	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-2H+Na"	20.974666
"1625800"	319.043566	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Na-2H"	20.974666
"104517"	315.049963	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M-H+Cl"	33.962126
"536175"	464.084413	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M-H+Cl"	33.962126
"930663"	166.015513	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-H+Cl"	33.962126
"269957"	631.107202	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+Cl"	34.969402
"665294"	929.176102	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+Cl"	34.969402
"1274536"	333.038302	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Cl"	34.969402
"18067"	633.086406	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M-2H+K"	36.948606
"458720"	931.155306	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M-2H+K"	36.948606
"836523"	335.017506	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-2H+K"	36.948606
"1567670"	335.017506	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+K-2H"	36.948606
"951178"	343.067094	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-H+HCOOH"	44.998194
"368299"	641.136001	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+HCOOH-H"	44.998201
"354367"	655.151651	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+Hac-H"	59.013851
"1499918"	357.082751	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Hac-H"	59.013851
"964185"	365.049051	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-H+NaCOOH"	66.980151
"114183"	333.038302	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+2Cl"	69.938804
"555932"	482.072752	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+2Cl"	69.938804
"1024731"	184.003852	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2Cl"	69.938804
"1244675"	376.987785	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Br"	78.918885
"1311133"	379.043772	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Cl+HCOOH"	80.974872
"1328635"	401.025729	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Cl+NaCOOH"	102.956829
"914954"	411.054486	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M-H+CF3COOH"	112.985586
"1292391"	447.031164	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Cl+CF3COOH"	148.962264
"1371648"	263.056224	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H-2H2O"	-35.012676
"1386591"	281.0662	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H-H2O"	-17.0027
"287737"	597.145076	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+H"	1.007276
"676510"	895.213976	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+H"	1.007276
"1352492"	299.076176	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H"	1.007276
"127936"	299.076176	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+2H"	2.014552
"570778"	448.110626	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+2H"	2.014552
"1043585"	150.041726	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2H"	2.014552
"211854"	199.719876	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+3H"	3.021828
"650322"	299.076176	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+3H"	3.021828
"1173917"	100.363576	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+3H"	3.021828
"433908"	614.171623	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+NH4"	18.033823
"788349"	912.240523	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+NH4"	18.033823
"1684310"	316.102723	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+NH4"	18.033823
"333682"	307.5894495	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+H+NH4"	19.041099
"725739"	456.6238995	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+H+NH4"	19.041099
"1480289"	158.5549995	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H+NH4"	19.041099
"394961"	619.127018	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+Na"	22.989218
"757780"	917.195918	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+Na"	22.989218
"1612441"	321.058118	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Na"	22.989218
"318469"	310.067147	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+H+Na"	23.996494
"710525"	459.101597	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+H+Na"	23.996494
"1465445"	161.032697	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H+Na"	23.996494
"1053336"	107.69089	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2H+Na"	25.00377
"1257812"	331.102386	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+CH3OH+H"	33.033486
"378944"	635.100958	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+K"	38.963158
"740302"	933.169858	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+K"	38.963158
"1540531"	337.032058	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+K"	38.963158
"299895"	318.054117	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+H+K"	39.970434
"694140"	467.088567	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+H+K"	39.970434
"1447960"	169.019667	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H+K"	39.970434
"238385"	638.171626	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+ACN+H"	42.033826
"1219840"	340.102726	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+ACN+H"	42.033826
"1204817"	170.555001	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+ACN+2H"	43.041102
"196594"	641.10896	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+2Na-H"	44.97116
"632877"	939.17786	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+2Na-H"	44.97116
"1136385"	343.04006	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2Na-H"	44.97116
"177852"	321.058118	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+2Na"	45.978436
"625440"	470.092568	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+2Na"	45.978436
"1129797"	172.023668	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2Na"	45.978436
"1411740"	115.018204	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H+2Na"	46.985712
"1443491"	345.081646	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H+HCOOH"	47.012746
"234770"	326.09114	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+3H2O+2H"	56.04448
"1522100"	359.13369	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+IsoProp+H"	61.06479
"421299"	329.045088	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+Na+K"	61.952376
"783389"	478.079538	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+Na+K"	61.952376
"1674257"	180.010638	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Na+K"	61.952376
"261871"	660.153568	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+ACN+Na"	64.015768
"1233488"	362.084668	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+ACN+Na"	64.015768
"1724558"	362.108193	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+NH4+HCOOH"	64.039293
"1191009"	122.345518	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+3Na"	68.967654
"1664908"	367.063588	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Na+HCOOH"	68.994688
"167764"	673.05684	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+2K-H"	76.91904
"607321"	971.12574	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+2K-H"	76.91904
"1099125"	374.98794	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2K-H"	76.91904
"150839"	337.032058	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"2M+2K"	77.926316
"596600"	486.066508	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"3M+2K"	77.926316
"1083419"	187.997608	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2K"	77.926316
"1109212"	377.002492	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2K+H"	78.933592
"1350342"	377.090107	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+DMSO+H"	79.021207
"1007929"	381.129276	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2ACN+H"	83.060376
"1532251"	382.122908	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+IsoProp+Na+H"	84.054008
"993233"	191.068276	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+2ACN+2H"	84.067652
"1595388"	383.037528	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+K+HCOOH"	84.968628
"1418865"	413.069038	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+H+CF3COOH"	115.000138
"1151339"	211.581551	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+3ACN+2H"	125.094202
"1707457"	430.095585	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+NH4+CF3COOH"	132.026685
"1648211"	435.05098	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+Na+CF3COOH"	136.98208
"1586411"	451.02492	"C00994"	"D-Prephenyllactate"	"C13H14O8"	"298.0689"	"M+K+CF3COOH"	152.95602
"804754"	776.2752	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M"	0
"980476"	757.25681	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-H2O-H"	-19.01839
"69810"	516.509524	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M-3H"	-3.021828
"513745"	775.267924	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M-3H"	-3.021828
"884987"	257.751124	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-3H"	-3.021828
"2834"	775.267924	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M-2H"	-2.014552
"452971"	1163.405524	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M-2H"	-2.014552
"831383"	387.130324	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-2H"	-2.014552
"91858"	1551.543124	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M-H"	-1.007276
"529233"	2327.818324	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M-H"	-1.007276
"897922"	775.267924	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-H"	-1.007276
"49379"	1568.569671	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M-2H+NH4"	16.019271
"489670"	2344.844871	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M-2H+NH4"	16.019271
"867467"	792.294471	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-2H+NH4"	16.019271
"32817"	1573.525066	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M-2H+Na"	20.974666
"473470"	2349.800266	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M-2H+Na"	20.974666
"849814"	797.249866	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-2H+Na"	20.974666
"1622636"	797.249866	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Na-2H"	20.974666
"108159"	793.256263	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M-H+Cl"	33.962126
"546381"	1181.393863	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M-H+Cl"	33.962126
"936616"	405.118663	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-H+Cl"	33.962126
"277361"	1587.519802	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+Cl"	34.969402
"670876"	2363.795002	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+Cl"	34.969402
"1277816"	811.244602	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Cl"	34.969402
"23651"	1589.499006	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M-2H+K"	36.948606
"466496"	2365.774206	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M-2H+K"	36.948606
"841016"	813.223806	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-2H+K"	36.948606
"1568874"	813.223806	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+K-2H"	36.948606
"945462"	821.273394	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-H+HCOOH"	44.998194
"365501"	1597.548601	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+HCOOH-H"	44.998201
"347924"	1611.564251	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+Hac-H"	59.013851
"1498579"	835.289051	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Hac-H"	59.013851
"962478"	843.255351	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-H+NaCOOH"	66.980151
"112841"	811.244602	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+2Cl"	69.938804
"554591"	1199.382202	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+2Cl"	69.938804
"1025577"	423.107002	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2Cl"	69.938804
"1244063"	855.194085	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Br"	78.918885
"1307238"	857.250072	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Cl+HCOOH"	80.974872
"1321818"	879.232029	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Cl+NaCOOH"	102.956829
"913243"	889.260786	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M-H+CF3COOH"	112.985586
"1291774"	925.237464	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Cl+CF3COOH"	148.962264
"1373581"	741.262524	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H-2H2O"	-35.012676
"1387067"	759.2725	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H-H2O"	-17.0027
"285295"	1553.557676	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+H"	1.007276
"677713"	2329.832876	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+H"	1.007276
"1359534"	777.282476	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H"	1.007276
"134615"	777.282476	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+2H"	2.014552
"569802"	1165.420076	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+2H"	2.014552
"1044072"	389.144876	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2H"	2.014552
"210882"	518.524076	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+3H"	3.021828
"648255"	777.282476	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+3H"	3.021828
"1168566"	259.765676	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+3H"	3.021828
"429651"	1570.584223	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+NH4"	18.033823
"789553"	2346.859423	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+NH4"	18.033823
"1685153"	794.309023	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+NH4"	18.033823
"333433"	785.7957495	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+H+NH4"	19.041099
"724028"	1173.9333495	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+H+NH4"	19.041099
"1481505"	397.6581495	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H+NH4"	19.041099
"396902"	1575.539618	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+Na"	22.989218
"755711"	2351.814818	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+Na"	22.989218
"1607091"	799.264418	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Na"	22.989218
"322597"	788.273447	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+H+Na"	23.996494
"719394"	1176.411047	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+H+Na"	23.996494
"1471026"	400.135847	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H+Na"	23.996494
"1060991"	267.09299	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2H+Na"	25.00377
"1260847"	809.308686	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+CH3OH+H"	33.033486
"379783"	1591.513558	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+K"	38.963158
"741873"	2367.788758	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+K"	38.963158
"1541738"	815.238358	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+K"	38.963158
"300369"	796.260417	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+H+K"	39.970434
"694609"	1184.398017	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+H+K"	39.970434
"1449896"	408.122817	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H+K"	39.970434
"238496"	1594.584226	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+ACN+H"	42.033826
"1212659"	818.309026	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+ACN+H"	42.033826
"1203843"	409.658151	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+ACN+2H"	43.041102
"192338"	1597.52156	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+2Na-H"	44.97116
"639559"	2373.79676	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+2Na-H"	44.97116
"1137597"	821.24636	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2Na-H"	44.97116
"183077"	799.264418	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+2Na"	45.978436
"626282"	1187.402018	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+2Na"	45.978436
"1130035"	411.126818	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2Na"	45.978436
"1412223"	274.420304	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H+2Na"	46.985712
"1442880"	823.287946	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H+HCOOH"	47.012746
"232575"	804.29744	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+3H2O+2H"	56.04448
"1520636"	837.33999	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+IsoProp+H"	61.06479
"417041"	807.251388	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+Na+K"	61.952376
"774756"	1195.388988	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+Na+K"	61.952376
"1676186"	419.113788	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Na+K"	61.952376
"264893"	1616.566168	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+ACN+Na"	64.015768
"1240399"	840.290968	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+ACN+Na"	64.015768
"1727339"	840.314493	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+NH4+HCOOH"	64.039293
"1187834"	281.747618	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+3Na"	68.967654
"1663195"	845.269888	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Na+HCOOH"	68.994688
"166775"	1629.46944	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+2K-H"	76.91904
"605244"	2405.74464	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+2K-H"	76.91904
"1091946"	853.19424	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2K-H"	76.91904
"150947"	815.238358	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"2M+2K"	77.926316
"591602"	1203.375958	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"3M+2K"	77.926316
"1083285"	427.100758	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2K"	77.926316
"1113698"	855.208792	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2K+H"	78.933592
"1339144"	855.296407	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+DMSO+H"	79.021207
"1009131"	859.335576	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2ACN+H"	83.060376
"1526890"	860.329208	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+IsoProp+Na+H"	84.054008
"992615"	430.171426	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+2ACN+2H"	84.067652
"1592224"	861.243828	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+K+HCOOH"	84.968628
"1423354"	891.275338	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+H+CF3COOH"	115.000138
"1151455"	450.684701	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+3ACN+2H"	125.094202
"1698455"	908.301885	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+NH4+CF3COOH"	132.026685
"1637752"	913.25728	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+Na+CF3COOH"	136.98208
"1586527"	929.23122	"C01001"	"Formylmethanofuran"	"C35H44N4O16"	"776.2752"	"M+K+CF3COOH"	152.95602
"803771"	260.0297	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"982773"	241.01131	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"74296"	172.345857333333	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"513855"	259.022424	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"882912"	85.6692906666667	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"2336"	259.022424	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"450895"	389.037274	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"830884"	129.007574	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"86499"	519.052124	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"531531"	779.081824	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"898396"	259.022424	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"49485"	536.078671	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"489049"	796.108371	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"867579"	276.048971	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"34387"	541.034066	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"473580"	801.063766	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"849924"	281.004366	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1620558"	281.004366	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"105838"	277.010763	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"543211"	407.025613	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"931621"	146.995913	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"270909"	555.028802	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"668798"	815.058502	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1277926"	294.999102	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"20481"	557.008006	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"465513"	817.037706	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"841126"	296.978306	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1562788"	296.978306	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"946665"	305.027894	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"365974"	565.057601	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"349126"	579.073251	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1497960"	319.043551	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"963680"	327.009851	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"112584"	294.999102	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"555795"	425.013952	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1026782"	164.984252	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1244537"	338.948585	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1305527"	341.004572	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1320389"	362.986529	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"915540"	373.015286	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1291519"	408.991964	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1373692"	225.017024	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1386448"	243.027	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"283214"	521.066676	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"676609"	781.096376	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1358551"	261.036976	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"135454"	261.036976	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"569912"	391.051826	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1038710"	131.022126	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"205518"	174.360409333333	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"646541"	261.036976	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1165396"	87.6838426666667	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"426115"	538.093223	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"786743"	798.122923	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1685263"	278.063523	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"330093"	269.5502495	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"722921"	399.5650995	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1480155"	139.5353995	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"397013"	543.048618	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"756914"	803.078318	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1603550"	283.018918	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"321614"	272.027947	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"719504"	402.042797	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1472229"	142.013097	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1061101"	95.0111566666667	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1259863"	293.063186	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"379165"	559.022558	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"742349"	819.052258	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1541849"	298.992858	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"299142"	280.014917	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"691924"	410.029767	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1448912"	150.000067	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"240793"	562.093226	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1213500"	302.063526	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1201767"	151.535401	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"191355"	565.03056	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"638572"	825.06026	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1144266"	305.00086	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"186465"	283.018918	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"624930"	413.033768	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1127346"	153.004068	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1410874"	102.338470666667	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1440802"	307.042446	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"233414"	288.05194	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1520746"	321.09449	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"417151"	291.005888	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"773407"	421.020738	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1675569"	160.991038	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"260995"	584.075168	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1239173"	324.045468	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1725870"	324.068993	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1190132"	109.665784666667	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1662215"	329.024388	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"166888"	596.97844	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"606450"	857.00814	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1098618"	336.94874	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"149961"	298.992858	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"592805"	429.007708	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1080599"	168.978008	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1113441"	338.963292	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1339257"	339.050907	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1007053"	343.090076	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1525543"	344.083708	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"992361"	172.048676	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1591241"	344.998328	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1422371"	375.029838	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1147675"	192.561951	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1698565"	392.056385	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1637862"	397.01178	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1586637"	412.98572	"C01002"	"Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"811538"	137.0477	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M"	0
"983976"	118.02931	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-H2O-H"	-19.01839
"72219"	90.3578573333333	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M-3H"	-3.021828
"510686"	136.040424	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M-3H"	-3.021828
"884118"	44.6752906666667	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-3H"	-3.021828
"13269"	136.040424	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M-2H"	-2.014552
"452098"	204.564274	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M-2H"	-2.014552
"829537"	67.516574	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-2H"	-2.014552
"86614"	273.088124	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M-H"	-1.007276
"529455"	410.135824	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M-H"	-1.007276
"899603"	136.040424	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-H"	-1.007276
"47536"	290.114671	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M-2H+NH4"	16.019271
"487823"	427.162371	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M-2H+NH4"	16.019271
"866231"	153.066971	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-2H+NH4"	16.019271
"33768"	295.070066	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M-2H+Na"	20.974666
"472962"	432.117766	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M-2H+Na"	20.974666
"849670"	158.022366	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-2H+Na"	20.974666
"1634084"	158.022366	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Na-2H"	20.974666
"105948"	154.028763	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M-H+Cl"	33.962126
"543321"	222.552613	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M-H+Cl"	33.962126
"936837"	85.504913	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-H+Cl"	33.962126
"272116"	309.064802	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+Cl"	34.969402
"667819"	446.112502	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+Cl"	34.969402
"1279130"	172.017102	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Cl"	34.969402
"24966"	311.044006	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M-2H+K"	36.948606
"465621"	448.091706	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M-2H+K"	36.948606
"842329"	173.996306	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-2H+K"	36.948606
"1561082"	173.996306	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+K-2H"	36.948606
"948599"	182.045894	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-H+HCOOH"	44.998194
"365720"	319.093601	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+HCOOH-H"	44.998201
"348144"	333.109251	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+Hac-H"	59.013851
"1496613"	196.061551	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Hac-H"	59.013851
"962331"	204.027851	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-H+NaCOOH"	66.980151
"112701"	172.017102	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+2Cl"	69.938804
"553717"	240.540952	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+2Cl"	69.938804
"1022151"	103.493252	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2Cl"	69.938804
"1243189"	215.966585	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Br"	78.918885
"1304907"	218.022572	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Cl+HCOOH"	80.974872
"1322770"	240.004529	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Cl+NaCOOH"	102.956829
"912735"	250.033286	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M-H+CF3COOH"	112.985586
"1288598"	286.009964	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Cl+CF3COOH"	148.962264
"1367308"	102.035024	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H-2H2O"	-35.012676
"1382950"	120.045	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H-H2O"	-17.0027
"284787"	275.102676	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+H"	1.007276
"677574"	412.150376	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+H"	1.007276
"1358668"	138.054976	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H"	1.007276
"133744"	138.054976	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+2H"	2.014552
"570026"	206.578826	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+2H"	2.014552
"1038825"	69.531126	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2H"	2.014552
"206726"	92.3724093333333	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+3H"	3.021828
"644826"	138.054976	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+3H"	3.021828
"1166598"	46.6898426666667	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+3H"	3.021828
"428777"	292.129223	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+NH4"	18.033823
"787585"	429.176923	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+NH4"	18.033823
"1681527"	155.081523	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+NH4"	18.033823
"333291"	146.5682495	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+H+NH4"	19.041099
"726813"	215.0920995	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+H+NH4"	19.041099
"1478808"	78.0443995	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H+NH4"	19.041099
"397126"	297.084618	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+Na"	22.989218
"759214"	434.132318	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+Na"	22.989218
"1611687"	160.036918	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Na"	22.989218
"326098"	149.045947	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+H+Na"	23.996494
"716333"	217.569797	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+H+Na"	23.996494
"1471246"	80.522097	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H+Na"	23.996494
"1056837"	54.0171566666667	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2H+Na"	25.00377
"1263981"	170.081186	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+CH3OH+H"	33.033486
"379275"	313.058558	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+K"	38.963158
"741365"	450.106258	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+K"	38.963158
"1544508"	176.010858	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+K"	38.963158
"300223"	157.032917	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+H+K"	39.970434
"693018"	225.556767	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+H+K"	39.970434
"1448657"	88.509067	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H+K"	39.970434
"239814"	316.129226	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+ACN+H"	42.033826
"1216899"	179.081526	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+ACN+H"	42.033826
"1198593"	90.044401	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+ACN+2H"	43.041102
"201310"	319.06656	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+2Na-H"	44.97116
"640870"	456.11426	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+2Na-H"	44.97116
"1141095"	182.01886	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2Na-H"	44.97116
"184389"	160.036918	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+2Na"	45.978436
"625772"	228.560768	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+2Na"	45.978436
"1130014"	91.513068	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2Na"	45.978436
"1408797"	61.3444706666667	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H+2Na"	46.985712
"1437630"	184.060446	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H+HCOOH"	47.012746
"226231"	165.06994	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+3H2O+2H"	56.04448
"1512106"	198.11249	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+IsoProp+H"	61.06479
"413980"	168.023888	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+Na+K"	61.952376
"774975"	236.547738	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+Na+K"	61.952376
"1670212"	99.500038	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Na+K"	61.952376
"262562"	338.111168	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+ACN+Na"	64.015768
"1233814"	201.063468	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+ACN+Na"	64.015768
"1720515"	201.086993	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+NH4+HCOOH"	64.039293
"1191336"	68.6717846666667	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+3Na"	68.967654
"1661230"	206.042388	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Na+HCOOH"	68.994688
"166996"	351.01444	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+2K-H"	76.91904
"607651"	488.06214	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+2K-H"	76.91904
"1088153"	213.96674	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2K-H"	76.91904
"146791"	176.010858	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"2M+2K"	77.926316
"592915"	244.534708	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"3M+2K"	77.926316
"1083462"	107.487008	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2K"	77.926316
"1109541"	215.981292	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2K+H"	78.933592
"1341555"	216.068907	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+DMSO+H"	79.021207
"1010084"	220.108076	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2ACN+H"	83.060376
"1526021"	221.101708	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+IsoProp+Na+H"	84.054008
"994659"	110.557676	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+2ACN+2H"	84.067652
"1592444"	222.016328	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+K+HCOOH"	84.968628
"1423574"	252.047838	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+H+CF3COOH"	115.000138
"1150585"	131.070951	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+3ACN+2H"	125.094202
"1710707"	269.074385	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+NH4+CF3COOH"	132.026685
"1648911"	274.02978	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+Na+CF3COOH"	136.98208
"1586748"	290.00372	"C01004"	"N-Methylnicotinate;Trigonelline;Trigenelline;1-Methylpyridinio-3-carboxylate;Betaine nicotinate;Caffearin;Gynesine"	"C7H7NO2"	"137.0477"	"M+K+CF3COOH"	152.95602
"814927"	185.0089	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M"	0
"986638"	165.99051	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-H2O-H"	-19.01839
"75609"	122.331990666667	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M-3H"	-3.021828
"515897"	184.001624	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M-3H"	-3.021828
"884228"	60.6623573333333	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-3H"	-3.021828
"13015"	184.001624	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M-2H"	-2.014552
"453301"	276.506074	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M-2H"	-2.014552
"830255"	91.497174	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-2H"	-2.014552
"90004"	369.010524	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M-H"	-1.007276
"527377"	554.019424	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M-H"	-1.007276
"899713"	184.001624	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-H"	-1.007276
"48129"	386.037071	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M-2H+NH4"	16.019271
"489266"	571.045971	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M-2H+NH4"	16.019271
"865003"	201.028171	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-2H+NH4"	16.019271
"34241"	390.992466	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M-2H+Na"	20.974666
"473072"	576.001366	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M-2H+Na"	20.974666
"849417"	205.983566	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-2H+Na"	20.974666
"1629529"	205.983566	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Na-2H"	20.974666
"99497"	201.989963	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M-H+Cl"	33.962126
"543431"	294.494413	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M-H+Cl"	33.962126
"928194"	109.485513	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-H+Cl"	33.962126
"274412"	404.987202	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+Cl"	34.969402
"669022"	589.996102	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+Cl"	34.969402
"1281424"	219.978302	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Cl"	34.969402
"21795"	406.966406	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M-2H+K"	36.948606
"462449"	591.975306	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M-2H+K"	36.948606
"839160"	221.957506	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-2H+K"	36.948606
"1560461"	221.957506	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+K-2H"	36.948606
"948343"	230.007094	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-H+HCOOH"	44.998194
"366924"	415.016001	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+HCOOH-H"	44.998201
"350077"	429.031651	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+Hac-H"	59.013851
"1494536"	244.022751	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Hac-H"	59.013851
"961348"	251.989051	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-H+NaCOOH"	66.980151
"112446"	219.978302	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+2Cl"	69.938804
"552735"	312.482752	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+2Cl"	69.938804
"1022626"	127.473852	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2Cl"	69.938804
"1243299"	263.927785	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Br"	78.918885
"1304649"	265.983772	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Cl+HCOOH"	80.974872
"1324702"	287.965729	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Cl+NaCOOH"	102.956829
"915032"	297.994486	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M-H+CF3COOH"	112.985586
"1289059"	333.971164	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Cl+CF3COOH"	148.962264
"1367213"	149.996224	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H-2H2O"	-35.012676
"1383063"	168.0062	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H-H2O"	-17.0027
"284897"	371.025076	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+H"	1.007276
"677684"	556.033976	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+H"	1.007276
"1359874"	186.016176	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H"	1.007276
"132763"	186.016176	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+2H"	2.014552
"571229"	278.520626	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+2H"	2.014552
"1038935"	93.511726	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2H"	2.014552
"207200"	124.346542666667	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+3H"	3.021828
"644571"	186.016176	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+3H"	3.021828
"1166708"	62.6769093333333	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+3H"	3.021828
"428887"	388.051623	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+NH4"	18.033823
"788788"	573.060523	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+NH4"	18.033823
"1682203"	203.042723	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+NH4"	18.033823
"333401"	194.5294495	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+H+NH4"	19.041099
"728016"	287.0338995	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+H+NH4"	19.041099
"1479648"	102.0249995	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H+NH4"	19.041099
"399422"	393.007018	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+Na"	22.989218
"759323"	578.015918	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+Na"	22.989218
"1611797"	207.998118	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Na"	22.989218
"322928"	197.007147	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+H+Na"	23.996494
"716443"	289.511597	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+H+Na"	23.996494
"1471356"	104.502697	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H+Na"	23.996494
"1059133"	70.0042233333333	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2H+Na"	25.00377
"1259717"	218.042386	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+CH3OH+H"	33.033486
"380478"	408.980958	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+K"	38.963158
"741475"	593.989858	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+K"	38.963158
"1542796"	223.972058	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+K"	38.963158
"300697"	204.994117	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+H+K"	39.970434
"694215"	297.498567	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+H+K"	39.970434
"1449860"	112.489667	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H+K"	39.970434
"239924"	412.051626	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+ACN+H"	42.033826
"1215916"	227.042726	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+ACN+H"	42.033826
"1197973"	114.025001	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+ACN+2H"	43.041102
"201420"	414.98896	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+2Na-H"	44.97116
"639887"	599.99786	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+2Na-H"	44.97116
"1141205"	229.98006	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2Na-H"	44.97116
"180122"	207.998118	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+2Na"	45.978436
"623695"	300.502568	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+2Na"	45.978436
"1129396"	115.493668	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2Na"	45.978436
"1408906"	77.3315373333333	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H+2Na"	46.985712
"1434824"	232.021646	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H+HCOOH"	47.012746
"223060"	213.03114	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+3H2O+2H"	56.04448
"1509300"	246.07369	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+IsoProp+H"	61.06479
"408743"	215.985088	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+Na+K"	61.952376
"772898"	308.489538	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+Na+K"	61.952376
"1669592"	123.480638	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Na+K"	61.952376
"261215"	434.033568	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+ACN+Na"	64.015768
"1233195"	249.024668	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+ACN+Na"	64.015768
"1720988"	249.048193	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+NH4+HCOOH"	64.039293
"1192419"	84.6588513333333	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+3Na"	68.967654
"1660246"	254.003588	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Na+HCOOH"	68.994688
"164191"	446.93684	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+2K-H"	76.91904
"606671"	631.94574	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+2K-H"	76.91904
"1087534"	261.92794	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2K-H"	76.91904
"144714"	223.972058	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"2M+2K"	77.926316
"591932"	316.476508	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"3M+2K"	77.926316
"1080815"	131.467608	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2K"	77.926316
"1107464"	263.942492	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2K+H"	78.933592
"1340572"	264.030107	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+DMSO+H"	79.021207
"1010194"	268.069276	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2ACN+H"	83.060376
"1526132"	269.062908	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+IsoProp+Na+H"	84.054008
"994769"	134.538276	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+2ACN+2H"	84.067652
"1593647"	269.977528	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+K+HCOOH"	84.968628
"1421497"	300.009038	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+H+CF3COOH"	115.000138
"1150695"	155.051551	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+3ACN+2H"	125.094202
"1704620"	317.035585	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+NH4+CF3COOH"	132.026685
"1647928"	321.99098	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+Na+CF3COOH"	136.98208
"1586858"	337.96492	"C01005"	"O-Phospho-L-serine;L-O-Phosphoserine;3-Phosphoserine;Dexfosfoserine"	"C3H8NO6P"	"185.0089"	"M+K+CF3COOH"	152.95602
"815037"	378.1539	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M"	0
"987475"	359.13551	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-H2O-H"	-19.01839
"78069"	251.095324	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M-3H"	-3.021828
"518323"	377.146624	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M-3H"	-3.021828
"884338"	125.044024	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-3H"	-3.021828
"11667"	377.146624	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M-2H"	-2.014552
"453411"	566.223574	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M-2H"	-2.014552
"830850"	188.069674	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-2H"	-2.014552
"91209"	755.300524	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M-H"	-1.007276
"529675"	1133.454424	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M-H"	-1.007276
"905290"	377.146624	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-H"	-1.007276
"50917"	772.327071	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M-2H+NH4"	16.019271
"490473"	1150.480971	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M-2H+NH4"	16.019271
"867178"	394.173171	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-2H+NH4"	16.019271
"35446"	777.282466	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M-2H+Na"	20.974666
"474642"	1155.436366	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M-2H+Na"	20.974666
"850012"	399.128566	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-2H+Na"	20.974666
"1629639"	399.128566	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Na-2H"	20.974666
"99607"	395.134963	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M-H+Cl"	33.962126
"545728"	584.211913	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M-H+Cl"	33.962126
"928669"	206.058013	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-H+Cl"	33.962126
"275616"	791.277202	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+Cl"	34.969402
"671318"	1169.431102	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+Cl"	34.969402
"1282629"	413.123302	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Cl"	34.969402
"21906"	793.256406	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M-2H+K"	36.948606
"465840"	1171.410306	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M-2H+K"	36.948606
"839269"	415.102506	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-2H+K"	36.948606
"1560570"	415.102506	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+K-2H"	36.948606
"948453"	423.152094	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-H+HCOOH"	44.998194
"363020"	801.306001	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+HCOOH-H"	44.998201
"347268"	815.321651	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+Hac-H"	59.013851
"1493553"	437.167751	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Hac-H"	59.013851
"959391"	445.134051	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-H+NaCOOH"	66.980151
"114379"	413.123302	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+2Cl"	69.938804
"553208"	602.200252	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+2Cl"	69.938804
"1022736"	224.046352	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2Cl"	69.938804
"1241456"	457.072785	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Br"	78.918885
"1304518"	459.128772	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Cl+HCOOH"	80.974872
"1321532"	481.110729	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Cl+NaCOOH"	102.956829
"912955"	491.139486	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M-H+CF3COOH"	112.985586
"1290391"	527.116164	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Cl+CF3COOH"	148.962264
"1369282"	343.141224	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H-2H2O"	-35.012676
"1385684"	361.1512	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H-H2O"	-17.0027
"286828"	757.315076	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+H"	1.007276
"677061"	1135.468976	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+H"	1.007276
"1357794"	379.161176	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H"	1.007276
"127765"	379.161176	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+2H"	2.014552
"570245"	568.238126	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+2H"	2.014552
"1039774"	190.084226	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2H"	2.014552
"208039"	253.109876	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+3H"	3.021828
"644680"	379.161176	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+3H"	3.021828
"1166818"	127.058576	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+3H"	3.021828
"428997"	774.341623	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+NH4"	18.033823
"792178"	1152.495523	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+NH4"	18.033823
"1683043"	396.187723	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+NH4"	18.033823
"333511"	387.6744495	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+H+NH4"	19.041099
"728126"	576.7513995	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+H+NH4"	19.041099
"1479758"	198.5974995	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H+NH4"	19.041099
"396252"	779.297018	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+Na"	22.989218
"758704"	1157.450918	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+Na"	22.989218
"1608627"	401.143118	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Na"	22.989218
"319757"	390.152147	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+H+Na"	23.996494
"715458"	579.229097	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+H+Na"	23.996494
"1468185"	201.075197	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H+Na"	23.996494
"1057058"	134.38589	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2H+Na"	25.00377
"1262015"	411.187386	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+CH3OH+H"	33.033486
"379123"	795.270958	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+K"	38.963158
"740853"	1173.424858	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+K"	38.963158
"1542904"	417.117058	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+K"	38.963158
"301537"	398.139117	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+H+K"	39.970434
"697241"	587.216067	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+H+K"	39.970434
"1450336"	209.062167	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H+K"	39.970434
"238942"	798.341626	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+ACN+H"	42.033826
"1213839"	420.187726	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+ACN+H"	42.033826
"1197355"	210.597501	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+ACN+2H"	43.041102
"191690"	801.27896	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+2Na-H"	44.97116
"633436"	1179.43286	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+2Na-H"	44.97116
"1134754"	423.12506	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2Na-H"	44.97116
"176951"	401.143118	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+2Na"	45.978436
"618699"	590.220068	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+2Na"	45.978436
"1126225"	212.066168	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2Na"	45.978436
"1407924"	141.713204	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H+2Na"	46.985712
"1433840"	425.166646	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H+HCOOH"	47.012746
"224263"	406.17614	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+3H2O+2H"	56.04448
"1509895"	439.21869	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+IsoProp+H"	61.06479
"410920"	409.130088	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+Na+K"	61.952376
"775195"	598.207038	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+Na+K"	61.952376
"1667516"	220.053138	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Na+K"	61.952376
"259138"	820.323568	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+ACN+Na"	64.015768
"1232941"	442.169668	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+ACN+Na"	64.015768
"1720005"	442.193193	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+NH4+HCOOH"	64.039293
"1188278"	149.040518	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+3Na"	68.967654
"1657440"	447.148588	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Na+HCOOH"	68.994688
"163209"	833.22684	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+2K-H"	76.91904
"600948"	1211.38074	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+2K-H"	76.91904
"1086185"	455.07294	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2K-H"	76.91904
"145917"	417.117058	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"2M+2K"	77.926316
"589854"	606.194008	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"3M+2K"	77.926316
"1081655"	228.040108	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2K"	77.926316
"1103564"	457.087492	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2K+H"	78.933592
"1338496"	457.175107	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+DMSO+H"	79.021207
"1010305"	461.214276	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2ACN+H"	83.060376
"1526242"	462.207908	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+IsoProp+Na+H"	84.054008
"995972"	231.110776	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+2ACN+2H"	84.067652
"1592664"	463.122528	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+K+HCOOH"	84.968628
"1423794"	493.154038	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+H+CF3COOH"	115.000138
"1151898"	251.624051	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+3ACN+2H"	125.094202
"1705823"	510.180585	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+NH4+CF3COOH"	132.026685
"1649497"	515.13598	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+Na+CF3COOH"	136.98208
"1586968"	531.10992	"C01007"	"Reduced riboflavin"	"C17H22N4O6"	"378.1539"	"M+K+CF3COOH"	152.95602
"812960"	77.0425	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M"	0
"984305"	58.02411	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-H2O-H"	-19.01839
"73641"	50.3543906666667	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M-3H"	-3.021828
"512107"	76.035224	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M-3H"	-3.021828
"884448"	24.6735573333333	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-3H"	-3.021828
"15057"	76.035224	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M-2H"	-2.014552
"454614"	114.556474	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M-2H"	-2.014552
"831690"	37.513974	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-2H"	-2.014552
"92048"	153.077724	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M-H"	-1.007276
"532701"	230.120224	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M-H"	-1.007276
"907588"	76.035224	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-H"	-1.007276
"54308"	170.104271	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M-2H+NH4"	16.019271
"488884"	247.146771	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M-2H+NH4"	16.019271
"867654"	93.061771	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-2H+NH4"	16.019271
"33130"	175.059666	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M-2H+Na"	20.974666
"474758"	252.102166	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M-2H+Na"	20.974666
"852559"	98.017166	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-2H+Na"	20.974666
"1628657"	98.017166	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Na-2H"	20.974666
"106278"	94.023563	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M-H+Cl"	33.962126
"548390"	132.544813	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M-H+Cl"	33.962126
"928780"	55.502313	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-H+Cl"	33.962126
"280100"	189.054402	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+Cl"	34.969402
"671428"	266.096902	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+Cl"	34.969402
"1284924"	112.011902	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Cl"	34.969402
"26387"	191.033606	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M-2H+K"	36.948606
"463762"	268.076106	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M-2H+K"	36.948606
"840473"	113.991106	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-2H+K"	36.948606
"1561774"	113.991106	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+K-2H"	36.948606
"947469"	122.040694	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-H+HCOOH"	44.998194
"363859"	199.083201	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+HCOOH-H"	44.998201
"348471"	213.098851	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+Hac-H"	59.013851
"1495487"	136.056351	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Hac-H"	59.013851
"958772"	144.022651	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-H+NaCOOH"	66.980151
"113030"	112.011902	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+2Cl"	69.938804
"551616"	150.533152	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+2Cl"	69.938804
"1022359"	73.490652	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2Cl"	69.938804
"1241379"	155.961385	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Br"	78.918885
"1305237"	158.017372	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Cl+HCOOH"	80.974872
"1320056"	179.999329	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Cl+NaCOOH"	102.956829
"911681"	190.028086	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M-H+CF3COOH"	112.985586
"1291957"	226.004764	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Cl+CF3COOH"	148.962264
"1369389"	42.029824	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H-2H2O"	-35.012676
"1387252"	60.0398	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H-H2O"	-17.0027
"288030"	155.092276	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+H"	1.007276
"675673"	232.134776	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+H"	1.007276
"1352429"	78.049776	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H"	1.007276
"127137"	78.049776	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+2H"	2.014552
"566464"	116.571026	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+2H"	2.014552
"1039154"	39.528526	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2H"	2.014552
"205961"	52.3689426666667	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+3H"	3.021828
"647709"	78.049776	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+3H"	3.021828
"1164740"	26.6881093333333	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+3H"	3.021828
"429106"	172.118823	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+NH4"	18.033823
"789007"	249.161323	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+NH4"	18.033823
"1682422"	95.076323	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+NH4"	18.033823
"330945"	86.5630495	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+H+NH4"	19.041099
"732604"	125.0842995	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+H+NH4"	19.041099
"1480958"	48.0417995	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H+NH4"	19.041099
"401824"	177.074218	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+Na"	22.989218
"763912"	254.116718	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+Na"	22.989218
"1608732"	100.031718	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Na"	22.989218
"318773"	89.040747	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+H+Na"	23.996494
"711194"	127.561997	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+H+Na"	23.996494
"1466106"	50.519497	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H+Na"	23.996494
"1054977"	34.0154233333333	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2H+Na"	25.00377
"1258841"	110.075986	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+CH3OH+H"	33.033486
"381061"	193.048158	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+K"	38.963158
"740231"	270.090658	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+K"	38.963158
"1541552"	116.005658	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+K"	38.963158
"302740"	97.027717	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+H+K"	39.970434
"695526"	135.548967	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+H+K"	39.970434
"1449349"	58.506467	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H+K"	39.970434
"240867"	196.118826	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+ACN+H"	42.033826
"1215039"	119.076326	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+ACN+H"	42.033826
"1200016"	60.041801	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+ACN+2H"	43.041102
"193984"	199.05616	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+2Na-H"	44.97116
"634637"	276.09866	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+2Na-H"	44.97116
"1135957"	122.01366	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2Na-H"	44.97116
"178154"	100.031718	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+2Na"	45.978436
"622087"	138.552968	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+2Na"	45.978436
"1122685"	61.510468	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2Na"	45.978436
"1407302"	41.3427373333333	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H+2Na"	46.985712
"1431274"	124.055246	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H+HCOOH"	47.012746
"222550"	105.06474	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+3H2O+2H"	56.04448
"1510247"	138.10729	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+IsoProp+H"	61.06479
"409930"	108.018688	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+Na+K"	61.952376
"773115"	146.539938	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+Na+K"	61.952376
"1671631"	69.497438	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Na+K"	61.952376
"260339"	218.100768	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+ACN+Na"	64.015768
"1234143"	141.058268	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+ACN+Na"	64.015768
"1719750"	141.081793	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+NH4+HCOOH"	64.039293
"1187293"	48.6700513333333	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+3Na"	68.967654
"1659374"	146.037188	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Na+HCOOH"	68.994688
"165142"	231.00404	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+2K-H"	76.91904
"604703"	308.04654	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+2K-H"	76.91904
"1088118"	153.96154	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2K-H"	76.91904
"148218"	116.005658	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"2M+2K"	77.926316
"593245"	154.526908	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"3M+2K"	77.926316
"1079942"	77.484408	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2K"	77.926316
"1108777"	155.976092	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2K+H"	78.933592
"1337144"	156.063707	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+DMSO+H"	79.021207
"1007492"	160.102876	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2ACN+H"	83.060376
"1525379"	161.096508	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+IsoProp+Na+H"	84.054008
"991707"	80.555076	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+2ACN+2H"	84.067652
"1588394"	162.011128	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+K+HCOOH"	84.968628
"1414783"	192.042638	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+H+CF3COOH"	115.000138
"1149089"	101.068351	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+3ACN+2H"	125.094202
"1698275"	209.069185	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+NH4+CF3COOH"	132.026685
"1639398"	214.02458	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+Na+CF3COOH"	136.98208
"1573954"	229.99852	"C01008"	"Trimethylsulfonium"	"C3H9S"	"77.0425"	"M+K+CF3COOH"	152.95602
"810883"	550.0601	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M"	0
"984415"	531.04171	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-H2O-H"	-19.01839
"73751"	365.699457333333	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M-3H"	-3.021828
"512217"	549.052824	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M-3H"	-3.021828
"882372"	182.346090666667	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-3H"	-3.021828
"12252"	549.052824	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M-2H"	-2.014552
"453267"	824.082874	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M-2H"	-2.014552
"830342"	274.022774	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-2H"	-2.014552
"91429"	1099.112924	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M-H"	-1.007276
"532448"	1649.173024	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M-H"	-1.007276
"906605"	549.052824	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-H"	-1.007276
"54418"	1116.139471	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M-2H+NH4"	16.019271
"491792"	1666.199571	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M-2H+NH4"	16.019271
"866310"	566.079371	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-2H+NH4"	16.019271
"34214"	1121.094866	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M-2H+Na"	20.974666
"478148"	1671.154966	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M-2H+Na"	20.974666
"852669"	571.034766	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-2H+Na"	20.974666
"1630954"	571.034766	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Na-2H"	20.974666
"106388"	567.041163	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M-H+Cl"	33.962126
"548135"	842.071213	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M-H+Cl"	33.962126
"928038"	292.011113	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-H+Cl"	33.962126
"279846"	1135.089602	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+Cl"	34.969402
"672267"	1685.149702	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+Cl"	34.969402
"1285034"	585.029502	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Cl"	34.969402
"24309"	1137.068806	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M-2H+K"	36.948606
"462776"	1687.128906	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M-2H+K"	36.948606
"841676"	587.008706	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-2H+K"	36.948606
"1564070"	587.008706	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+K-2H"	36.948606
"949766"	595.058294	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-H+HCOOH"	44.998194
"365792"	1145.118401	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+HCOOH-H"	44.998201
"348581"	1159.134051	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+Hac-H"	59.013851
"1500701"	609.073951	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Hac-H"	59.013851
"961680"	617.040251	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-H+NaCOOH"	66.980151
"113504"	585.029502	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+2Cl"	69.938804
"551605"	860.059552	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+2Cl"	69.938804
"1022228"	309.999452	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2Cl"	69.938804
"1241804"	628.978985	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Br"	78.918885
"1308628"	631.034972	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Cl+HCOOH"	80.974872
"1320656"	653.016929	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Cl+NaCOOH"	102.956829
"911956"	663.045686	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M-H+CF3COOH"	112.985586
"1290245"	699.022364	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Cl+CF3COOH"	148.962264
"1369866"	515.047424	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H-2H2O"	-35.012676
"1390641"	533.0574	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H-H2O"	-17.0027
"286317"	1101.127476	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+H"	1.007276
"679467"	1651.187576	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+H"	1.007276
"1351811"	551.067376	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H"	1.007276
"127251"	551.067376	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+2H"	2.014552
"571559"	826.097426	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+2H"	2.014552
"1038535"	276.037326	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2H"	2.014552
"206436"	367.714009333333	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+3H"	3.021828
"647090"	551.067376	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+3H"	3.021828
"1163878"	184.360642666667	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+3H"	3.021828
"428123"	1118.154023	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+NH4"	18.033823
"789117"	1668.214123	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+NH4"	18.033823
"1682533"	568.093923	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+NH4"	18.033823
"333730"	559.5806495	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+H+NH4"	19.041099
"734901"	834.6106995	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+H+NH4"	19.041099
"1483256"	284.5505995	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H+NH4"	19.041099
"404121"	1123.109418	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+Na"	22.989218
"765116"	1673.169518	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+Na"	22.989218
"1611032"	573.049318	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Na"	22.989218
"319977"	562.058347	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+H+Na"	23.996494
"712398"	837.088397	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+H+Na"	23.996494
"1467310"	287.028297	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H+Na"	23.996494
"1057275"	191.687956666667	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2H+Na"	25.00377
"1260409"	583.093586	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+CH3OH+H"	33.033486
"378984"	1139.083358	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+K"	38.963158
"740342"	1689.143458	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+K"	38.963158
"1542391"	589.023258	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+K"	38.963158
"304309"	570.045317	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+H+K"	39.970434
"694544"	845.075367	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+H+K"	39.970434
"1448732"	295.015267	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H+K"	39.970434
"238790"	1142.154026	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+ACN+H"	42.033826
"1215148"	592.093926	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+ACN+H"	42.033826
"1199033"	296.550601	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+ACN+2H"	43.041102
"196281"	1145.09136	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+2Na-H"	44.97116
"634747"	1695.15146	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+2Na-H"	44.97116
"1136067"	595.03126	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2Na-H"	44.97116
"176077"	573.049318	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+2Na"	45.978436
"624385"	848.079368	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+2Na"	45.978436
"1126075"	298.019268	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2Na"	45.978436
"1405225"	199.015270666667	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H+2Na"	46.985712
"1431749"	597.072846	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H+HCOOH"	47.012746
"224484"	578.08234	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+3H2O+2H"	56.04448
"1509626"	611.12489	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+IsoProp+H"	61.06479
"409556"	581.036288	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+Na+K"	61.952376
"771035"	856.066338	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+Na+K"	61.952376
"1673930"	306.006238	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Na+K"	61.952376
"259358"	1164.135968	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+ACN+Na"	64.015768
"1232068"	614.075868	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+ACN+Na"	64.015768
"1719862"	614.099393	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+NH4+HCOOH"	64.039293
"1186308"	206.342584666667	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+3Na"	68.967654
"1658388"	619.054788	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Na+HCOOH"	68.994688
"167437"	1177.03924	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+2K-H"	76.91904
"604809"	1727.09934	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+2K-H"	76.91904
"1090780"	626.97914	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2K-H"	76.91904
"149421"	589.023258	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"2M+2K"	77.926316
"592261"	864.053308	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"3M+2K"	77.926316
"1078958"	313.993208	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2K"	77.926316
"1109981"	628.993692	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2K+H"	78.933592
"1337982"	629.081307	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+DMSO+H"	79.021207
"1007239"	633.120476	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2ACN+H"	83.060376
"1526097"	634.114108	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+IsoProp+Na+H"	84.054008
"990724"	317.063876	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+2ACN+2H"	84.067652
"1587773"	635.028728	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+K+HCOOH"	84.968628
"1414528"	665.060238	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+H+CF3COOH"	115.000138
"1149928"	337.577151	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+3ACN+2H"	125.094202
"1698385"	682.086785	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+NH4+CF3COOH"	132.026685
"1639508"	687.04218	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+Na+CF3COOH"	136.98208
"1572242"	703.01612	"C01009"	"UDP-2-deoxyglucose"	"C15H24N2O16P2"	"550.0601"	"M+K+CF3COOH"	152.95602
"810993"	104.0222	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M"	0
"986712"	85.00381	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-H2O-H"	-19.01839
"76048"	68.3408573333333	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M-3H"	-3.021828
"514514"	103.014924	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M-3H"	-3.021828
"881388"	33.6667906666667	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-3H"	-3.021828
"11994"	103.014924	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M-2H"	-2.014552
"446086"	155.026024	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M-2H"	-2.014552
"829356"	51.003824	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-2H"	-2.014552
"88259"	207.037124	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M-H"	-1.007276
"530007"	311.059324	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M-H"	-1.007276
"903435"	103.014924	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-H"	-1.007276
"57808"	224.063671	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M-2H+NH4"	16.019271
"491902"	328.085871	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M-2H+NH4"	16.019271
"867144"	120.041471	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-2H+NH4"	16.019271
"31770"	229.019066	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M-2H+Na"	20.974666
"478258"	333.041266	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M-2H+Na"	20.974666
"852779"	124.996866	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-2H+Na"	20.974666
"1627784"	124.996866	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Na-2H"	20.974666
"106498"	121.003263	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M-H+Cl"	33.962126
"546058"	173.014363	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M-H+Cl"	33.962126
"927543"	68.992163	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-H+Cl"	33.962126
"280320"	243.013802	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+Cl"	34.969402
"670553"	347.036002	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+Cl"	34.969402
"1284051"	138.991602	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Cl"	34.969402
"26605"	244.993006	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M-2H+K"	36.948606
"462885"	349.015206	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M-2H+K"	36.948606
"840693"	140.970806	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-2H+K"	36.948606
"1561993"	140.970806	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+K-2H"	36.948606
"948783"	149.020394	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-H+HCOOH"	44.998194
"365902"	253.042601	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+HCOOH-H"	44.998201
"348691"	267.058251	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+Hac-H"	59.013851
"1501904"	163.036051	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Hac-H"	59.013851
"962155"	171.002351	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-H+NaCOOH"	66.980151
"112886"	138.991602	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+2Cl"	69.938804
"552444"	191.002702	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+2Cl"	69.938804
"1021850"	86.980502	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2Cl"	69.938804
"1245561"	182.941085	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Br"	78.918885
"1310926"	184.997072	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Cl+HCOOH"	80.974872
"1321860"	206.979029	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Cl+NaCOOH"	102.956829
"912918"	217.007786	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M-H+CF3COOH"	112.985586
"1291449"	252.984464	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Cl+CF3COOH"	148.962264
"1369976"	69.009524	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H-2H2O"	-35.012676
"1390752"	87.0195	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H-H2O"	-17.0027
"289343"	209.051676	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+H"	1.007276
"679942"	313.073876	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+H"	1.007276
"1351678"	105.029476	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H"	1.007276
"126309"	105.029476	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+2H"	2.014552
"569483"	157.040576	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+2H"	2.014552
"1040469"	53.018376	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2H"	2.014552
"206303"	70.3554093333333	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+3H"	3.021828
"651210"	105.029476	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+3H"	3.021828
"1164961"	35.6813426666667	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+3H"	3.021828
"426046"	226.078223	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+NH4"	18.033823
"785945"	330.100423	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+NH4"	18.033823
"1681583"	122.056023	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+NH4"	18.033823
"331653"	113.5427495	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+H+NH4"	19.041099
"732825"	165.5538495	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+H+NH4"	19.041099
"1483367"	61.5316495	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H+NH4"	19.041099
"403138"	231.033618	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+Na"	22.989218
"764132"	335.055818	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+Na"	22.989218
"1610050"	127.011418	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Na"	22.989218
"320816"	116.020447	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+H+Na"	23.996494
"713237"	168.031547	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+H+Na"	23.996494
"1466327"	64.009347	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H+Na"	23.996494
"1057385"	43.0086566666667	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2H+Na"	25.00377
"1260155"	137.055686	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+CH3OH+H"	33.033486
"378730"	247.007558	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+K"	38.963158
"740818"	351.029758	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+K"	38.963158
"1541411"	142.985358	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+K"	38.963158
"300774"	124.007417	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+H+K"	39.970434
"692831"	176.018517	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+H+K"	39.970434
"1450664"	71.996317	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H+K"	39.970434
"235984"	250.078226	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+ACN+H"	42.033826
"1216352"	146.056026	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+ACN+H"	42.033826
"1200237"	73.531651	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+ACN+2H"	43.041102
"197484"	253.01556	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+2Na-H"	44.97116
"634857"	357.03776	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+2Na-H"	44.97116
"1136177"	148.99336	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2Na-H"	44.97116
"180560"	127.011418	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+2Na"	45.978436
"625224"	179.022518	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+2Na"	45.978436
"1121442"	75.000318	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2Na"	45.978436
"1405336"	50.3359706666667	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H+2Na"	46.985712
"1433805"	151.034946	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H+HCOOH"	47.012746
"223501"	132.04444	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+3H2O+2H"	56.04448
"1510468"	165.08699	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+IsoProp+H"	61.06479
"409300"	134.998388	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+Na+K"	61.952376
"773334"	187.009488	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+Na+K"	61.952376
"1672948"	82.987288	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Na+K"	61.952376
"256188"	272.060168	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+ACN+Na"	64.015768
"1234364"	168.037968	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+ACN+Na"	64.015768
"1718878"	168.061493	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+NH4+HCOOH"	64.039293
"1186418"	57.6632846666667	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+3Na"	68.967654
"1658498"	173.016888	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Na+HCOOH"	68.994688
"165360"	284.96344	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+2K-H"	76.91904
"604919"	388.98564	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+2K-H"	76.91904
"1090528"	180.94124	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2K-H"	76.91904
"151717"	142.985358	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"2M+2K"	77.926316
"593464"	194.996458	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"3M+2K"	77.926316
"1079068"	90.974258	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2K"	77.926316
"1111184"	182.955792	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2K+H"	78.933592
"1337000"	183.043407	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+DMSO+H"	79.021207
"1008442"	187.082576	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2ACN+H"	83.060376
"1525479"	188.076208	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+IsoProp+Na+H"	84.054008
"990834"	94.044926	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+2ACN+2H"	84.067652
"1587886"	188.990828	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+K+HCOOH"	84.968628
"1416461"	219.022338	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+H+CF3COOH"	115.000138
"1148945"	114.558201	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+3ACN+2H"	125.094202
"1697402"	236.048885	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+NH4+CF3COOH"	132.026685
"1639618"	241.00428	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+Na+CF3COOH"	136.98208
"1572716"	256.97822	"C01010"	"Urea-1-carboxylate;Allophanate;Allophanic acid"	"C2H4N2O3"	"104.0222"	"M+K+CF3COOH"	152.95602
"807822"	897.1418	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M"	0
"981354"	878.12341	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H2O-H"	-19.01839
"73970"	597.087257333333	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-3H"	-3.021828
"514624"	896.134524	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-3H"	-3.021828
"883685"	298.039990666667	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-3H"	-3.021828
"12104"	896.134524	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H"	-2.014552
"447289"	1344.705424	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H"	-2.014552
"826186"	447.563624	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H"	-2.014552
"89099"	1793.276324	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H"	-1.007276
"530117"	2690.418124	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H"	-1.007276
"905368"	896.134524	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H"	-1.007276
"56461"	1810.302871	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+NH4"	16.019271
"492012"	2707.444671	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+NH4"	16.019271
"865437"	913.161071	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+NH4"	16.019271
"34434"	1815.258266	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+Na"	20.974666
"478368"	2712.400066	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+Na"	20.974666
"852889"	918.116466	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+Na"	20.974666
"1631175"	918.116466	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na-2H"	20.974666
"106244"	914.122863	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H+Cl"	33.962126
"546897"	1362.693763	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H+Cl"	33.962126
"928746"	465.551963	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+Cl"	33.962126
"277881"	1829.253002	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Cl"	34.969402
"670663"	2726.394802	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Cl"	34.969402
"1283433"	932.111202	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl"	34.969402
"25622"	1831.232206	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+K"	36.948606
"464089"	2728.374006	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+K"	36.948606
"840804"	934.090406	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+K"	36.948606
"1564291"	934.090406	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K-2H"	36.948606
"947801"	942.139994	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+HCOOH"	44.998194
"367106"	1839.281801	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+HCOOH-H"	44.998201
"352081"	1853.297451	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Hac-H"	59.013851
"1499828"	956.155651	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Hac-H"	59.013851
"958984"	964.121951	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+NaCOOH"	66.980151
"110808"	932.111202	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Cl"	69.938804
"550204"	1380.682102	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Cl"	69.938804
"1021712"	483.540302	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Cl"	69.938804
"1241780"	976.060685	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Br"	78.918885
"1306297"	978.116672	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+HCOOH"	80.974872
"1320186"	1000.098629	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+NaCOOH"	102.956829
"911932"	1010.127386	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+CF3COOH"	112.985586
"1295206"	1046.104064	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+CF3COOH"	148.962264
"1373366"	862.129124	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-2H2O"	-35.012676
"1390860"	880.1391	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-H2O"	-17.0027
"286172"	1795.290876	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H"	1.007276
"679687"	2692.432676	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H"	1.007276
"1352517"	898.149076	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H"	1.007276
"133304"	898.149076	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2H"	2.014552
"571779"	1346.719976	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2H"	2.014552
"1037658"	449.578176	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H"	2.014552
"205562"	599.101809333333	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H"	3.021828
"646946"	898.149076	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+3H"	3.021828
"1163366"	300.054542666667	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3H"	3.021828
"425423"	1812.317423	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+NH4"	18.033823
"787149"	2709.459223	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+NH4"	18.033823
"1681779"	915.175623	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4"	18.033823
"332856"	906.6623495	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+NH4"	19.041099
"722865"	1355.2332495	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+NH4"	19.041099
"1477676"	458.0914495	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+NH4"	19.041099
"401061"	1817.272818	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na"	22.989218
"760962"	2714.414618	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na"	22.989218
"1611249"	920.131018	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na"	22.989218
"319103"	909.140047	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+Na"	23.996494
"713709"	1357.710947	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+Na"	23.996494
"1468623"	460.569147	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+Na"	23.996494
"1057495"	307.381856666667	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H+Na"	25.00377
"1259172"	930.175286	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+CH3OH+H"	33.033486
"378840"	1833.246758	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+K"	38.963158
"739835"	2730.388558	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+K"	38.963158
"1540302"	936.104958	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K"	38.963158
"299425"	917.127017	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+K"	39.970434
"691680"	1365.697917	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+K"	39.970434
"1445619"	468.556117	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+K"	39.970434
"236094"	1836.317426	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+H"	42.033826
"1216462"	939.175626	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+H"	42.033826
"1200345"	470.091451	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+2H"	43.041102
"196500"	1839.25476	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na-H"	44.97116
"631687"	2736.39656	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na-H"	44.97116
"1138474"	942.11296	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na-H"	44.97116
"182857"	920.131018	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na"	45.978436
"624603"	1368.701918	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na"	45.978436
"1121552"	471.560118	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na"	45.978436
"1406175"	314.709170666667	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+2Na"	46.985712
"1437195"	944.154546	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+HCOOH"	47.012746
"221665"	925.16404	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H2O+2H"	56.04448
"1510578"	958.20659	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+H"	61.06479
"409166"	928.117988	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na+K"	61.952376
"775633"	1376.688888	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na+K"	61.952376
"1673056"	479.547088	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+K"	61.952376
"257390"	1858.299368	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+Na"	64.015768
"1231194"	961.157568	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+Na"	64.015768
"1721175"	961.181093	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+HCOOH"	64.039293
"1186528"	322.036484666667	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3Na"	68.967654
"1655328"	966.136488	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+HCOOH"	68.994688
"165470"	1871.20264	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K-H"	76.91904
"605029"	2768.34444	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K-H"	76.91904
"1091730"	974.06084	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K-H"	76.91904
"148545"	936.104958	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K"	77.926316
"591386"	1384.675858	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K"	77.926316
"1079178"	487.534058	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K"	77.926316
"1108013"	976.075392	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K+H"	78.933592
"1337109"	976.163007	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+DMSO+H"	79.021207
"1008553"	980.202176	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+H"	83.060376
"1525588"	981.195808	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+Na+H"	84.054008
"990943"	490.604726	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+2H"	84.067652
"1588358"	982.110428	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+HCOOH"	84.968628
"1416571"	1012.141938	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+CF3COOH"	115.000138
"1151242"	511.118001	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3ACN+2H"	125.094202
"1698604"	1029.168485	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+CF3COOH"	132.026685
"1639728"	1034.12388	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+CF3COOH"	136.98208
"1571733"	1050.09782	"C01011"	"(3S)-Citramalyl-CoA;L-Citramalyl-CoA;(S)-Citramalyl-CoA;(3S)-3-Carboxy-3-hydroxybutanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+CF3COOH"	152.95602
"814493"	130.063	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M"	0
"984744"	111.04461	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"74080"	85.7013906666667	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"515828"	129.055724	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"887071"	42.3470573333333	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"8934"	129.055724	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"448493"	194.087224	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"829211"	64.024224	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"90669"	259.118724	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"530228"	389.181724	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"906572"	129.055724	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"55844"	276.145271	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"496496"	406.208271	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"869923"	146.082271	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"37824"	281.100666	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"478478"	411.163666	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"852999"	151.037666	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1629099"	151.037666	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"108300"	147.044063	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"544091"	212.075563	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"932137"	82.012563	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"279086"	295.095402	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"671866"	425.158402	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1282814"	165.032402	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"25732"	297.074606	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"464200"	427.137606	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"840912"	167.011606	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1560026"	167.011606	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"950095"	175.061194	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"364662"	305.124201	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"350733"	319.139851	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1501032"	189.076851	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"962009"	197.043151	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"113107"	165.032402	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"553395"	230.063902	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1028392"	100.000902	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1246876"	208.981885	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1308596"	211.037872	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1322810"	233.019829	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"914231"	243.048586	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1295315"	279.025264	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1373476"	95.050324	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1388784"	113.0603	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"286281"	261.133276	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"678701"	391.196276	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1354330"	131.070276	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H"	1.007276
"133414"	131.070276	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"577357"	196.101776	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1045062"	66.038776	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"211870"	87.7159426666667	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"649243"	131.070276	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1167367"	44.3616093333333	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"428453"	278.159823	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"791634"	408.222823	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1683592"	148.096823	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"332966"	139.5835495	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"723559"	204.6150495	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1477868"	74.5520495	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"403359"	283.115218	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"757792"	413.178218	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1613548"	153.052218	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"323588"	142.061247	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"714912"	207.092747	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1469827"	77.029747	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1061978"	51.6889233333333	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1268030"	163.096486	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"382230"	299.089158	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"741039"	429.152158	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1540901"	169.026158	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+K"	38.963158
"300266"	150.048217	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"693779"	215.079717	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1446058"	85.016717	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"238027"	302.159826	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1216572"	172.096826	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1200455"	86.552051	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"195516"	305.09716	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"632889"	435.16016	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1138582"	175.03416	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"184059"	153.052218	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"625807"	218.083718	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1127858"	88.020718	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1412605"	59.0162373333333	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1439494"	177.075746	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"231376"	158.08524	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1517251"	191.12779	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"416935"	161.039188	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"780117"	226.070688	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1676447"	96.007688	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"260782"	324.141768	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1233490"	194.078768	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1722378"	194.102293	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1187732"	66.3435513333333	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1654344"	199.057688	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"164486"	337.04504	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"608420"	467.10804	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1096214"	206.98204	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"148656"	169.026158	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"590402"	234.057658	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1080382"	103.994658	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1105936"	208.996592	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1342325"	209.084207	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1007938"	213.123376	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1526065"	214.117008	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"991418"	107.065326	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1587865"	215.031628	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1415956"	245.063138	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1154631"	127.578601	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1699079"	262.089685	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1643118"	267.04508	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1575488"	283.01902	"C01012"	"(R)-Pantolactone;(R)-Pantoyl lactone;(3R)-Dihydro-3-hydroxy-44-dimethyl-2(3H)-furanone"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"808042"	90.0317	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M"	0
"978294"	71.01331	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"70909"	59.0138573333333	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"514844"	89.024424	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"880374"	29.0032906666667	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"1255"	89.024424	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"441307"	134.040274	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"826405"	44.008574	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"83114"	179.056124	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"528878"	269.087824	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"905951"	89.024424	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"54860"	196.082671	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"494420"	286.114371	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"870033"	106.050971	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"37934"	201.038066	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"478588"	291.069766	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"854202"	111.006366	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1631035"	111.006366	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"106833"	107.012763	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"544935"	152.028613	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"937714"	61.996913	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"278102"	215.032802	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"669790"	305.064502	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1283288"	125.001102	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"24749"	217.012006	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"462125"	307.043706	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"838837"	126.980306	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1557950"	126.980306	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"950206"	135.029894	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"366232"	225.061601	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"351209"	239.077251	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1504786"	149.045551	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"963942"	157.011851	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"117590"	125.001102	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"555692"	170.016952	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1031418"	79.985252	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1247715"	168.950585	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1310529"	171.006572	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1323651"	192.988529	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"915438"	203.017286	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1295425"	238.993964	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1373586"	55.019024	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1388894"	73.029	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"288579"	181.070676	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"683186"	271.102376	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1353348"	91.038976	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"128057"	91.038976	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"577466"	136.054826	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1045172"	46.023126	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"208700"	61.0284093333333	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"647166"	91.038976	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1165291"	31.0178426666667	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"429657"	198.097223	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"790650"	288.128923	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1682973"	108.065523	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"331617"	99.5522495	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"722982"	144.5680995	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1477857"	54.5363995	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"402375"	203.052618	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"757902"	293.084318	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1611472"	113.020918	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"320418"	102.029947	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"713929"	147.045797	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1471030"	57.014097	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1067193"	38.3451566666667	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1265954"	123.065186	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"384528"	219.026558	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"742243"	309.058258	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1541742"	128.994858	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"306938"	110.016917	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"694984"	155.032767	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1446977"	65.001067	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"240689"	222.097226	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1215589"	132.065526	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1197649"	66.536401	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"192347"	225.03456	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"632999"	315.06626	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1138692"	135.00286	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"181983"	113.020918	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"623730"	158.036768	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1122865"	68.005068	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1410405"	45.6724706666667	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1440700"	137.044446	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"231124"	118.05394	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1516268"	151.09649	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"417047"	121.007888	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"779133"	166.023738	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1674371"	75.992038	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"257612"	244.079168	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1233598"	154.047468	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1722489"	154.070993	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1187842"	52.9997846666667	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1654454"	159.026388	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"160222"	256.98244	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"605249"	347.01414	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1094137"	166.95074	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"146579"	128.994858	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"590511"	174.010708	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1081585"	83.979008	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1111513"	168.965292	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1338425"	169.052907	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1008411"	173.092076	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1525809"	174.085708	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"991528"	87.049676	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1588217"	175.000328	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1414607"	205.031838	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1151462"	107.562951	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1698825"	222.058385	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1639948"	227.01378	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1575598"	242.98772	"C01013"	"3-Hydroxypropanoate;3-Hydroxypropanoic acid;3-Hydroxypropionate;3-Hydroxypropionic acid;Hydracrylic acid"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"808152"	152.0837	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M"	0
"981684"	133.06531	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-H2O-H"	-19.01839
"72114"	100.381857333333	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M-3H"	-3.021828
"514955"	151.076424	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M-3H"	-3.021828
"881092"	49.6872906666667	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-3H"	-3.021828
"1001"	151.076424	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M-2H"	-2.014552
"441416"	227.118274	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M-2H"	-2.014552
"826515"	75.034574	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-2H"	-2.014552
"83224"	303.160124	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M-H"	-1.007276
"530441"	455.243824	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M-H"	-1.007276
"904969"	151.076424	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-H"	-1.007276
"54967"	320.186671	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M-2H+NH4"	16.019271
"494530"	472.270371	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M-2H+NH4"	16.019271
"872329"	168.102971	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-2H+NH4"	16.019271
"38044"	325.142066	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M-2H+Na"	20.974666
"476511"	477.225766	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M-2H+Na"	20.974666
"854312"	173.058366	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-2H+Na"	20.974666
"1629323"	173.058366	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Na-2H"	20.974666
"104756"	169.064763	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M-H+Cl"	33.962126
"544315"	245.106613	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M-H+Cl"	33.962126
"934544"	93.022913	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-H+Cl"	33.962126
"277480"	339.136802	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+Cl"	34.969402
"670993"	491.220502	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+Cl"	34.969402
"1281210"	187.053102	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Cl"	34.969402
"23766"	341.116006	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M-2H+K"	36.948606
"463325"	493.199706	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M-2H+K"	36.948606
"839311"	189.032306	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-2H+K"	36.948606
"1558424"	189.032306	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+K-2H"	36.948606
"949223"	197.081894	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-H+HCOOH"	44.998194
"365609"	349.165601	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+HCOOH-H"	44.998201
"350589"	363.181251	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+Hac-H"	59.013851
"1496504"	211.097551	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Hac-H"	59.013851
"961500"	219.063851	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-H+NaCOOH"	66.980151
"114784"	187.053102	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+2Cl"	69.938804
"553978"	263.094952	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+2Cl"	69.938804
"1030435"	111.011252	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2Cl"	69.938804
"1247825"	231.002585	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Br"	78.918885
"1311368"	233.058572	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Cl+HCOOH"	80.974872
"1323031"	255.040529	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Cl+NaCOOH"	102.956829
"914089"	265.069286	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M-H+CF3COOH"	112.985586
"1293348"	301.045964	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Cl+CF3COOH"	148.962264
"1373695"	117.071024	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H-2H2O"	-35.012676
"1387909"	135.081	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H-H2O"	-17.0027
"287229"	305.174676	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+H"	1.007276
"678556"	457.258376	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+H"	1.007276
"1352721"	153.090976	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H"	1.007276
"129259"	153.090976	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+2H"	2.014552
"575390"	229.132826	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+2H"	2.014552
"1046374"	77.049126	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2H"	2.014552
"212090"	102.396409333333	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+3H"	3.021828
"646184"	153.090976	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+3H"	3.021828
"1166495"	51.7018426666667	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+3H"	3.021828
"428673"	322.201223	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+NH4"	18.033823
"790759"	474.284923	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+NH4"	18.033823
"1682596"	170.117523	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+NH4"	18.033823
"331361"	161.6042495	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+H+NH4"	19.041099
"723781"	237.6460995	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+H+NH4"	19.041099
"1480154"	85.5623995	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H+NH4"	19.041099
"404672"	327.156618	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+Na"	22.989218
"758741"	479.240318	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+Na"	22.989218
"1611582"	175.072918	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Na"	22.989218
"323808"	164.081947	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+H+Na"	23.996494
"712947"	240.123797	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+H+Na"	23.996494
"1464581"	88.040097	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H+Na"	23.996494
"1064387"	59.0291566666667	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2H+Na"	25.00377
"1260597"	185.117186	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+CH3OH+H"	33.033486
"384638"	343.130558	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+K"	38.963158
"742717"	495.214258	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+K"	38.963158
"1542216"	191.046858	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+K"	38.963158
"304861"	172.068917	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+H+K"	39.970434
"691688"	248.110767	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+H+K"	39.970434
"1447209"	96.027067	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H+K"	39.970434
"237519"	346.201226	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+ACN+H"	42.033826
"1213147"	194.117526	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+ACN+H"	42.033826
"1197396"	97.562401	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+ACN+2H"	43.041102
"192457"	349.13856	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+2Na-H"	44.97116
"630557"	501.22226	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+2Na-H"	44.97116
"1136615"	197.05486	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2Na-H"	44.97116
"179906"	175.072918	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+2Na"	45.978436
"623840"	251.114768	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+2Na"	45.978436
"1121882"	99.031068	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2Na"	45.978436
"1401031"	66.3564706666667	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H+2Na"	46.985712
"1434240"	199.096446	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H+HCOOH"	47.012746
"233784"	180.10594	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+3H2O+2H"	56.04448
"1518565"	213.14849	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+IsoProp+H"	61.06479
"418249"	183.059888	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+Na+K"	61.952376
"779242"	259.101738	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+Na+K"	61.952376
"1669740"	107.018038	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Na+K"	61.952376
"257722"	368.183168	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+ACN+Na"	64.015768
"1231521"	216.099468	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+ACN+Na"	64.015768
"1722599"	216.122993	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+NH4+HCOOH"	64.039293
"1186859"	73.6837846666667	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+3Na"	68.967654
"1654564"	221.078388	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Na+HCOOH"	68.994688
"160332"	381.08644	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+2K-H"	76.91904
"605359"	533.17014	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+2K-H"	76.91904
"1094247"	229.00274	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2K-H"	76.91904
"146689"	191.046858	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"2M+2K"	77.926316
"589527"	267.088708	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"3M+2K"	77.926316
"1079508"	115.005008	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2K"	77.926316
"1109436"	231.017292	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2K+H"	78.933592
"1340359"	231.104907	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+DMSO+H"	79.021207
"1011076"	235.144076	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2ACN+H"	83.060376
"1527375"	236.137708	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+IsoProp+Na+H"	84.054008
"992730"	118.075676	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+2ACN+2H"	84.067652
"1588326"	237.052328	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+K+HCOOH"	84.968628
"1415082"	267.083838	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+H+CF3COOH"	115.000138
"1153758"	138.588951	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+3ACN+2H"	125.094202
"1701122"	284.110385	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+NH4+CF3COOH"	132.026685
"1640058"	289.06578	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+Na+CF3COOH"	136.98208
"1575708"	305.03972	"C01014"	"3-Isopropylcatechol"	"C9H12O2"	"152.0837"	"M+K+CF3COOH"	152.95602
"808262"	131.0582	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M"	0
"978514"	112.03981	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"70036"	86.3648573333333	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"513972"	130.050924	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"881933"	42.6787906666667	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"1964"	130.050924	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"440230"	195.580024	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"826624"	64.521824	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"80054"	261.109124	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"530550"	392.167324	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"903978"	130.050924	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"58353"	278.135671	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"495733"	409.193871	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"871346"	147.077471	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"32684"	283.091066	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"477714"	414.149266	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"854422"	152.032866	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1629429"	152.032866	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"103773"	148.039263	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"546248"	213.568363	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"932467"	82.510163	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"274309"	297.085802	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"670010"	428.144002	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1279133"	166.027602	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"22782"	299.065006	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"463435"	430.123206	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"838328"	168.006806	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1561450"	168.006806	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"947511"	176.056394	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"363898"	307.114601	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"349606"	321.130251	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1494792"	190.072051	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"962703"	198.038351	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"114894"	166.027602	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"554816"	231.556702	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1026899"	100.498502	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1243558"	209.977085	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1311842"	212.033072	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1323506"	234.015029	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"916750"	244.043786	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1291998"	280.020464	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1372711"	96.045524	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1384738"	114.0555	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"286611"	263.123676	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"680126"	394.181876	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1352831"	132.065476	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"126816"	132.065476	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"571125"	197.594576	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1046485"	66.536376	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"214386"	88.3794093333333	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"646415"	132.065476	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1167699"	44.6933426666667	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"430970"	280.150223	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"790871"	411.208423	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1682829"	149.092023	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"330985"	140.5787495	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"724742"	206.1078495	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1477715"	75.0496495	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"404782"	285.105618	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"758123"	416.163818	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1612785"	154.047418	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"322821"	143.056447	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"714151"	208.585547	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1469063"	77.527347	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1064498"	52.0206566666667	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1269454"	164.091686	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"382560"	301.079558	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"741733"	432.137758	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1540502"	170.021358	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"303877"	151.043417	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"691921"	216.572517	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1447197"	85.514317	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"237629"	304.150226	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1212893"	173.092026	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1198599"	87.049651	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"191472"	307.08756	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"629330"	438.14576	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1133445"	176.02936	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"177829"	154.047418	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"622857"	219.576518	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1121992"	88.518318	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1400412"	59.3479706666667	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1434714"	178.070946	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"233894"	159.08044	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1519769"	192.12299	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"419454"	162.034388	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"780446"	227.563488	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1674590"	96.505288	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"262204"	326.132168	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1231632"	195.073968	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1722709"	195.097493	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1189155"	66.6752846666667	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1654674"	200.052888	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"167003"	339.03544	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"604376"	470.09364	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1094357"	207.97724	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"145706"	170.021358	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"589638"	235.550458	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1077432"	104.492258	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1109548"	209.991792	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1342656"	210.079407	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1008999"	214.118576	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1526758"	215.112208	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"992479"	107.562926	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1588437"	216.026828	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1414585"	246.058338	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1152775"	128.076201	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1697215"	263.084885	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1640168"	268.04028	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1574724"	284.01422	"C01015"	"cis-4-Hydroxy-L-proline;L-Allohydroxyproline"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"808373"	220.0848	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M"	0
"979717"	201.06641	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-H2O-H"	-19.01839
"72333"	145.715924	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M-3H"	-3.021828
"504243"	219.077524	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M-3H"	-3.021828
"880952"	72.354324	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-3H"	-3.021828
"983"	219.077524	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M-2H"	-2.014552
"453309"	329.119924	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M-2H"	-2.014552
"824549"	109.035124	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-2H"	-2.014552
"90738"	439.162324	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M-H"	-1.007276
"528475"	659.247124	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M-H"	-1.007276
"906277"	219.077524	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-H"	-1.007276
"57379"	456.188871	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M-2H+NH4"	16.019271
"495845"	676.273671	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M-2H+NH4"	16.019271
"870363"	236.104071	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-2H+NH4"	16.019271
"38265"	461.144266	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M-2H+Na"	20.974666
"472722"	681.229066	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M-2H+Na"	20.974666
"857821"	241.059466	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-2H+Na"	20.974666
"1628446"	241.059466	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Na-2H"	20.974666
"104971"	237.065863	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M-H+Cl"	33.962126
"543439"	347.108263	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M-H+Cl"	33.962126
"934772"	127.023463	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-H+Cl"	33.962126
"272598"	475.139002	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+Cl"	34.969402
"666841"	695.223802	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+Cl"	34.969402
"1276328"	255.054202	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Cl"	34.969402
"21801"	477.118206	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M-2H+K"	36.948606
"459543"	697.203006	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M-2H+K"	36.948606
"837344"	257.033406	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-2H+K"	36.948606
"1559372"	257.033406	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+K-2H"	36.948606
"946890"	265.082994	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-H+HCOOH"	44.998194
"363281"	485.167801	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+HCOOH-H"	44.998201
"349358"	499.183451	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+Hac-H"	59.013851
"1495277"	279.098651	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Hac-H"	59.013851
"962085"	287.064951	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-H+NaCOOH"	66.980151
"111356"	255.054202	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+2Cl"	69.938804
"551282"	365.096602	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+2Cl"	69.938804
"1024456"	145.011802	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2Cl"	69.938804
"1244765"	299.003685	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Br"	78.918885
"1306484"	301.059672	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Cl+HCOOH"	80.974872
"1322885"	323.041629	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Cl+NaCOOH"	102.956829
"913941"	333.070386	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M-H+CF3COOH"	112.985586
"1292108"	369.047064	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Cl+CF3COOH"	148.962264
"1368811"	185.072124	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H-2H2O"	-35.012676
"1384119"	203.0821	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H-H2O"	-17.0027
"283438"	441.176876	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+H"	1.007276
"678785"	661.261676	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+H"	1.007276
"1356594"	221.092076	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H"	1.007276
"136050"	221.092076	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+2H"	2.014552
"575610"	331.134476	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+2H"	2.014552
"1043316"	111.049676	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2H"	2.014552
"209028"	147.730476	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+3H"	3.021828
"648590"	221.092076	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+3H"	3.021828
"1167807"	74.368876	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+3H"	3.021828
"429986"	458.203423	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+NH4"	18.033823
"789893"	678.288223	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+NH4"	18.033823
"1685131"	238.118623	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+NH4"	18.033823
"333408"	229.6053495	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+H+NH4"	19.041099
"724735"	339.6477495	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+H+NH4"	19.041099
"1486213"	119.5629495	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H+NH4"	19.041099
"401615"	463.158818	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+Na"	22.989218
"763706"	683.243618	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+Na"	22.989218
"1612897"	243.074018	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Na"	22.989218
"318561"	232.083047	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+H+Na"	23.996494
"712438"	342.125447	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+H+Na"	23.996494
"1465891"	122.040647	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H+Na"	23.996494
"1059502"	81.69619	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2H+Na"	25.00377
"1260087"	253.118286	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+CH3OH+H"	33.033486
"380483"	479.132758	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+K"	38.963158
"739656"	699.217558	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+K"	38.963158
"1540734"	259.047958	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+K"	38.963158
"299610"	240.070017	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+H+K"	39.970434
"692401"	350.112417	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+H+K"	39.970434
"1448045"	130.027617	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H+K"	39.970434
"241025"	482.203426	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+ACN+H"	42.033826
"1213006"	262.118626	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+ACN+H"	42.033826
"1198349"	131.562951	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+ACN+2H"	43.041102
"193042"	485.14076	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+2Na-H"	44.97116
"634425"	705.22556	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+2Na-H"	44.97116
"1137930"	265.05596	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2Na-H"	44.97116
"175024"	243.074018	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+2Na"	45.978436
"621150"	353.116418	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+2Na"	45.978436
"1124655"	133.031618	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2Na"	45.978436
"1405991"	89.023504	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H+2Na"	46.985712
"1439933"	267.097546	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H+HCOOH"	47.012746
"230720"	248.10704	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+3H2O+2H"	56.04448
"1522062"	281.14959	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+IsoProp+H"	61.06479
"419563"	251.060988	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+Na+K"	61.952376
"780557"	361.103388	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+Na+K"	61.952376
"1672514"	141.018588	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Na+K"	61.952376
"255754"	504.185368	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+ACN+Na"	64.015768
"1231748"	284.100568	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+ACN+Na"	64.015768
"1722820"	284.124093	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+NH4+HCOOH"	64.039293
"1183799"	96.350818	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+3Na"	68.967654
"1653326"	289.079488	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Na+HCOOH"	68.994688
"162007"	517.08864	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+2K-H"	76.91904
"598293"	737.17344	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+2K-H"	76.91904
"1091189"	297.00384	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2K-H"	76.91904
"145817"	259.047958	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"2M+2K"	77.926316
"585737"	369.090358	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"3M+2K"	77.926316
"1073168"	149.005558	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2K"	77.926316
"1103467"	299.018392	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2K+H"	78.933592
"1337299"	299.106007	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+DMSO+H"	79.021207
"1006799"	303.145176	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2ACN+H"	83.060376
"1526141"	304.138808	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+IsoProp+Na+H"	84.054008
"991857"	152.076226	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+2ACN+2H"	84.067652
"1589276"	305.053428	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+K+HCOOH"	84.968628
"1415310"	335.084938	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+H+CF3COOH"	115.000138
"1150699"	172.589501	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+3ACN+2H"	125.094202
"1704630"	352.111485	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+NH4+CF3COOH"	132.026685
"1640280"	357.06688	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+Na+CF3COOH"	136.98208
"1578117"	373.04082	"C01017"	"5-Hydroxytryptophan;5-HTP"	"C11H12N2O3"	"220.0848"	"M+K+CF3COOH"	152.95602
"808483"	164.0685	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M"	0
"978734"	145.05011	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"69163"	108.371724	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"504718"	163.061224	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"881062"	53.682224	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"850"	163.061224	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"444669"	245.095474	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"824659"	81.026974	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"87932"	327.129724	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"527492"	491.198224	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"903107"	163.061224	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"58582"	344.156271	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"497048"	508.224771	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"869382"	180.087771	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"36189"	349.111666	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"472589"	513.180166	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"856839"	185.043166	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1628559"	185.043166	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"104719"	181.049563	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"541363"	263.083813	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"933789"	99.015313	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"271978"	363.106402	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"665493"	527.174902	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1275710"	199.037902	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"22641"	365.085606	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"460383"	529.154106	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"839279"	201.017106	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1561673"	201.017106	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"950647"	209.066694	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"365943"	373.135201	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"348740"	387.150851	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1493195"	223.082351	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"960737"	231.048651	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"110493"	199.037902	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"551392"	281.072152	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1024566"	117.003652	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1243416"	242.987385	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1304563"	245.043372	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1325913"	267.025329	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"914418"	277.054086	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1290150"	313.030764	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1367497"	129.055824	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1383986"	147.0658	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"284276"	329.144276	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"677190"	493.212776	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1358891"	165.075776	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"132879"	165.075776	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"575719"	247.110026	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1045611"	83.041526	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"205859"	110.386276	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"650886"	165.075776	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1169011"	55.696776	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"429003"	346.170823	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"790003"	510.239323	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1688521"	182.102323	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"334612"	173.5890495	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"727032"	255.6232995	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1486323"	91.5547995	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"401725"	351.126218	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"763816"	515.194718	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1613007"	187.057718	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"316484"	176.066747	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"709998"	258.100997	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1464544"	94.032497	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1057061"	63.02409	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1259834"	197.101986	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"379137"	367.100158	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"740126"	531.168658	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1541816"	203.031658	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"300204"	184.053717	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"693599"	266.087967	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1448144"	102.019467	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"237485"	370.170826	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1211659"	206.102326	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1197366"	103.554801	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"190965"	373.10816	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"634535"	537.17666	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1136946"	209.03966	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"178049"	187.057718	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"621990"	269.091968	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1120392"	105.023468	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1403550"	70.351404	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1437855"	211.081246	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"225361"	192.09074	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1511601"	225.13329	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"409828"	195.044688	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"771917"	277.078938	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1666425"	113.010438	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"255865"	392.152768	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1239149"	228.084268	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1725847"	228.107793	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1182816"	77.678718	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1654895"	233.063188	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"159563"	405.05604	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"599133"	569.12454	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1090206"	240.98754	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"144834"	203.031658	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"585484"	285.065908	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1076556"	120.997408	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1103577"	243.002092	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1337773"	243.089707	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1012502"	247.128876	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1528440"	248.122508	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"991606"	124.068076	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1589023"	249.037128	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1415178"	279.068638	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1149716"	144.581351	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1705833"	296.095185	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1643670"	301.05058	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1578227"	317.02452	"C01018"	"6-Deoxy-D-galactose;D-Fucose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"808593"	164.0685	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M"	0
"987227"	145.05011	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"72553"	108.371724	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"505557"	163.061224	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"884453"	53.682224	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"5214"	163.061224	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"449153"	245.095474	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"826956"	81.026974	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"89136"	327.129724	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"527602"	491.198224	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"903217"	163.061224	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"55408"	344.156271	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"497158"	508.224771	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"870585"	180.087771	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"37392"	349.111666	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"472941"	513.180166	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"856219"	185.043166	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1626482"	185.043166	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"101915"	181.049563	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"543659"	263.083813	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"936087"	99.015313	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"272089"	363.106402	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"664875"	527.174902	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1279465"	199.037902	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"26398"	365.085606	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"460129"	529.154106	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"841576"	201.017106	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1561781"	201.017106	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"950757"	209.066694	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"370064"	373.135201	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"349580"	387.150851	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1492879"	223.082351	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"961942"	231.048651	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"113765"	199.037902	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"550408"	281.072152	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1024311"	117.003652	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1243526"	242.987385	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1307068"	245.043372	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1324564"	267.025329	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"916351"	277.054086	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1293787"	313.030764	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1370125"	129.055824	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1383245"	147.0658	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"284022"	329.144276	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"678640"	493.212776	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1360095"	165.075776	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"138457"	165.075776	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"574735"	247.110026	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1049002"	83.041526	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"212530"	110.386276	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"655369"	165.075776	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1171308"	55.696776	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"432396"	346.170823	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"792300"	510.239323	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1693005"	182.102323	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"338002"	173.5890495	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"728235"	255.6232995	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1489713"	91.5547995	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"407181"	351.126218	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"763926"	515.194718	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1615304"	187.057718	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"318781"	176.066747	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"711201"	258.100997	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1465385"	94.032497	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1057173"	63.02409	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1263224"	197.101986	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"380705"	367.100158	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"743885"	531.168658	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1544845"	203.031658	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"302019"	184.053717	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"694075"	266.087967	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1452633"	102.019467	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"236868"	370.170826	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1215050"	206.102326	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1197476"	103.554801	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"189982"	373.10816	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"637925"	537.17666	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1142523"	209.03966	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"181439"	187.057718	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"624287"	269.091968	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1122326"	105.023468	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1406942"	70.351404	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1436873"	211.081246	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"227658"	192.09074	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1516814"	225.13329	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"415406"	195.044688	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"773120"	277.078938	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1668358"	113.010438	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"255976"	392.152768	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1239622"	228.084268	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1726321"	228.107793	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1184020"	77.678718	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1655005"	233.063188	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"159677"	405.05604	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"605804"	569.12454	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1095783"	240.98754	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"144944"	203.031658	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"584501"	285.065908	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1074481"	120.997408	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1104409"	243.002092	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1348454"	243.089707	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1010426"	247.128876	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1530737"	248.122508	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"996091"	124.068076	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1592780"	249.037128	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1421727"	279.068638	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1147640"	144.581351	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1708130"	296.095185	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1643780"	301.05058	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1578337"	317.02452	"C01019"	"6-Deoxy-L-galactose;L-Fucose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"808703"	139.0269	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M"	0
"978954"	120.00851	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-H2O-H"	-19.01839
"73756"	91.677324	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M-3H"	-3.021828
"504574"	138.019624	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M-3H"	-3.021828
"881282"	45.335024	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-3H"	-3.021828
"3135"	138.019624	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M-2H"	-2.014552
"445253"	207.533074	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M-2H"	-2.014552
"822692"	68.506174	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-2H"	-2.014552
"88152"	277.046524	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M-H"	-1.007276
"525525"	416.073424	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M-H"	-1.007276
"901140"	138.019624	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-H"	-1.007276
"57704"	294.073071	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M-2H+NH4"	16.019271
"499456"	433.099971	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M-2H+NH4"	16.019271
"875069"	155.046171	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-2H+NH4"	16.019271
"36409"	299.028466	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M-2H+Na"	20.974666
"479250"	438.055366	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M-2H+Na"	20.974666
"859245"	160.001566	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-2H+Na"	20.974666
"1629872"	160.001566	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Na-2H"	20.974666
"106398"	156.007963	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M-H+Cl"	33.962126
"543768"	225.521413	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M-H+Cl"	33.962126
"939476"	86.494513	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-H+Cl"	33.962126
"276207"	313.023202	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+Cl"	34.969402
"668629"	452.050102	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+Cl"	34.969402
"1282126"	173.996302	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Cl"	34.969402
"28693"	315.002406	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M-2H+K"	36.948606
"460967"	454.029306	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M-2H+K"	36.948606
"841686"	175.975506	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-2H+K"	36.948606
"1561527"	175.975506	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+K-2H"	36.948606
"951961"	184.025094	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-H+HCOOH"	44.998194
"369444"	323.052001	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+HCOOH-H"	44.998201
"349324"	337.067651	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+Hac-H"	59.013851
"1494020"	198.040751	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Hac-H"	59.013851
"960592"	206.007051	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-H+NaCOOH"	66.980151
"111199"	173.996302	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+2Cl"	69.938804
"551611"	243.509752	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+2Cl"	69.938804
"1022599"	104.482852	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2Cl"	69.938804
"1242908"	217.945785	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Br"	78.918885
"1306084"	220.001772	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Cl+HCOOH"	80.974872
"1321027"	241.983729	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Cl+NaCOOH"	102.956829
"912571"	252.012486	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M-H+CF3COOH"	112.985586
"1293897"	287.989164	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Cl+CF3COOH"	148.962264
"1370235"	104.014224	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H-2H2O"	-35.012676
"1383719"	122.0242	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H-H2O"	-17.0027
"283890"	279.061076	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+H"	1.007276
"677649"	418.087976	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+H"	1.007276
"1359112"	140.034176	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H"	1.007276
"138566"	140.034176	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+2H"	2.014552
"579219"	209.547626	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+2H"	2.014552
"1051665"	70.520726	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2H"	2.014552
"215920"	93.691876	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+3H"	3.021828
"656573"	140.034176	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+3H"	3.021828
"1171419"	47.349576	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+3H"	3.021828
"434691"	296.087623	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+NH4"	18.033823
"793503"	435.114523	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+NH4"	18.033823
"1693115"	157.060723	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+NH4"	18.033823
"338112"	148.5474495	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+H+NH4"	19.041099
"726523"	218.0608995	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+H+NH4"	19.041099
"1490919"	79.0339995	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H+NH4"	19.041099
"406684"	301.043018	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+Na"	22.989218
"765129"	440.069918	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+Na"	22.989218
"1615414"	162.016118	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Na"	22.989218
"321079"	151.025147	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+H+Na"	23.996494
"712406"	220.538597	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+H+Na"	23.996494
"1464766"	81.511697	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H+Na"	23.996494
"1057283"	54.67689	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2H+Na"	25.00377
"1260784"	172.060386	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+CH3OH+H"	33.033486
"381909"	317.016958	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+K"	38.963158
"741807"	456.043858	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+K"	38.963158
"1543861"	177.990058	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+K"	38.963158
"302493"	159.012117	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+H+K"	39.970434
"694914"	228.525567	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+H+K"	39.970434
"1451652"	89.498667	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H+K"	39.970434
"235883"	320.087626	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+ACN+H"	42.033826
"1218439"	181.060726	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+ACN+H"	42.033826
"1198315"	91.034001	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+ACN+2H"	43.041102
"191185"	323.02496	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+2Na-H"	44.97116
"636213"	462.05186	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+2Na-H"	44.97116
"1140449"	183.99806	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2Na-H"	44.97116
"181549"	162.016118	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+2Na"	45.978436
"620751"	231.529568	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+2Na"	45.978436
"1125348"	92.502668	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2Na"	45.978436
"1409237"	62.004204	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H+2Na"	46.985712
"1438075"	186.039646	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H+HCOOH"	47.012746
"226674"	167.04914	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+3H2O+2H"	56.04448
"1513644"	200.09169	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+IsoProp+H"	61.06479
"414422"	170.003088	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+Na+K"	61.952376
"770677"	239.516538	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+Na+K"	61.952376
"1669195"	100.489638	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Na+K"	61.952376
"258272"	342.069568	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+ACN+Na"	64.015768
"1240341"	203.042668	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+ACN+Na"	64.015768
"1728138"	203.066193	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+NH4+HCOOH"	64.039293
"1189597"	69.331518	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+3Na"	68.967654
"1660582"	208.021588	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Na+HCOOH"	68.994688
"161243"	354.97284	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+2K-H"	76.91904
"612111"	493.99974	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+2K-H"	76.91904
"1093706"	215.94594	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2K-H"	76.91904
"147241"	177.990058	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"2M+2K"	77.926316
"584246"	247.503508	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"3M+2K"	77.926316
"1072405"	108.476608	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2K"	77.926316
"1103426"	217.960492	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2K+H"	78.933592
"1344191"	218.048107	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+DMSO+H"	79.021207
"1007374"	222.087276	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2ACN+H"	83.060376
"1529754"	223.080908	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+IsoProp+Na+H"	84.054008
"991098"	111.547276	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+2ACN+2H"	84.067652
"1588516"	223.995528	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+K+HCOOH"	84.968628
"1415519"	254.027038	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+H+CF3COOH"	115.000138
"1147870"	132.060551	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+3ACN+2H"	125.094202
"1708240"	271.053585	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+NH4+CF3COOH"	132.026685
"1643890"	276.00898	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+Na+CF3COOH"	136.98208
"1578447"	291.98292	"C01020"	"6-Hydroxynicotinate;6-Hydroxynicotinic acid"	"C6H5NO3"	"139.0269"	"M+K+CF3COOH"	152.95602
"812096"	583.2813	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M"	0
"987453"	564.26291	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-H2O-H"	-19.01839
"71688"	387.846924	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M-3H"	-3.021828
"505780"	582.274024	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M-3H"	-3.021828
"890146"	193.419824	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-3H"	-3.021828
"13099"	582.274024	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M-2H"	-2.014552
"452662"	873.914674	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M-2H"	-2.014552
"830459"	290.633374	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-2H"	-2.014552
"88263"	1165.555324	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M-H"	-1.007276
"526734"	1748.836624	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M-H"	-1.007276
"904535"	582.274024	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-H"	-1.007276
"58912"	1182.581871	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M-2H+NH4"	16.019271
"499568"	1765.863171	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M-2H+NH4"	16.019271
"877007"	599.300571	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-2H+NH4"	16.019271
"46898"	1187.537266	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M-2H+Na"	20.974666
"483742"	1770.818566	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M-2H+Na"	20.974666
"860444"	604.255966	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-2H+Na"	20.974666
"1632164"	604.255966	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Na-2H"	20.974666
"105420"	600.262363	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M-H+Cl"	33.962126
"543883"	891.903013	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M-H+Cl"	33.962126
"939588"	308.621713	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-H+Cl"	33.962126
"280331"	1201.532002	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+Cl"	34.969402
"671663"	1784.813302	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+Cl"	34.969402
"1279690"	618.250702	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Cl"	34.969402
"17870"	1203.511206	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M-2H+K"	36.948606
"458160"	1786.792506	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M-2H+K"	36.948606
"838515"	620.229906	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-2H+K"	36.948606
"1562003"	620.229906	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+K-2H"	36.948606
"952078"	628.279494	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-H+HCOOH"	44.998194
"363733"	1211.560801	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+HCOOH-H"	44.998201
"346150"	1225.576451	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+Hac-H"	59.013851
"1493894"	642.295151	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Hac-H"	59.013851
"958880"	650.261451	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-H+NaCOOH"	66.980151
"111791"	618.250702	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+2Cl"	69.938804
"552082"	909.891352	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+2Cl"	69.938804
"1021688"	326.610052	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2Cl"	69.938804
"1242284"	662.200185	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Br"	78.918885
"1304731"	664.256172	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Cl+HCOOH"	80.974872
"1320204"	686.238129	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Cl+NaCOOH"	102.956829
"911951"	696.266886	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M-H+CF3COOH"	112.985586
"1288739"	732.243564	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Cl+CF3COOH"	148.962264
"1368887"	548.268624	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H-2H2O"	-35.012676
"1385656"	566.2786	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H-H2O"	-17.0027
"294828"	1167.569876	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+H"	1.007276
"685066"	1750.851176	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+H"	1.007276
"1364331"	584.288576	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H"	1.007276
"132118"	584.288576	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+2H"	2.014552
"577145"	875.929226	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+2H"	2.014552
"1047038"	292.647926	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2H"	2.014552
"212752"	389.861476	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+3H"	3.021828
"653408"	584.288576	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+3H"	3.021828
"1176641"	195.434376	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+3H"	3.021828
"436998"	1184.596423	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+NH4"	18.033823
"799085"	1767.877723	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+NH4"	18.033823
"1695417"	601.315123	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+NH4"	18.033823
"342238"	592.8018495	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+H+NH4"	19.041099
"731742"	884.4424995	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+H+NH4"	19.041099
"1485566"	301.1611995	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H+NH4"	19.041099
"402059"	1189.551818	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+Na"	22.989218
"765241"	1772.833118	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+Na"	22.989218
"1608964"	606.270518	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Na"	22.989218
"320093"	595.279547	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+H+Na"	23.996494
"713607"	886.920197	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+H+Na"	23.996494
"1465604"	303.638897	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H+Na"	23.996494
"1055933"	202.76169	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2H+Na"	25.00377
"1260527"	616.314786	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+CH3OH+H"	33.033486
"379830"	1205.525758	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+K"	38.963158
"740463"	1788.807058	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+K"	38.963158
"1542881"	622.244458	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+K"	38.963158
"300782"	603.266517	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+H+K"	39.970434
"699047"	894.907167	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+H+K"	39.970434
"1458338"	311.625867	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H+K"	39.970434
"244752"	1208.596426	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+ACN+H"	42.033826
"1214908"	625.315126	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+ACN+H"	42.033826
"1205719"	313.161201	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+ACN+2H"	43.041102
"195311"	1211.53376	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+2Na-H"	44.97116
"635232"	1794.81506	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+2Na-H"	44.97116
"1138012"	628.25246	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2Na-H"	44.97116
"180575"	606.270518	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+2Na"	45.978436
"620862"	897.911168	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+2Na"	45.978436
"1119993"	314.629868	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2Na"	45.978436
"1406071"	210.089004	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H+2Na"	46.985712
"1439278"	630.294046	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H+HCOOH"	47.012746
"223138"	611.30354	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+3H2O+2H"	56.04448
"1517035"	644.34609	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+IsoProp+H"	61.06479
"418909"	614.257488	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+Na+K"	61.952376
"783189"	905.898138	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+Na+K"	61.952376
"1678429"	322.616838	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Na+K"	61.952376
"264949"	1230.578368	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+ACN+Na"	64.015768
"1239844"	647.297068	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+ACN+Na"	64.015768
"1723262"	647.320593	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+NH4+HCOOH"	64.039293
"1189708"	217.416318	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+3Na"	68.967654
"1655230"	652.275988	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Na+HCOOH"	68.994688
"163184"	1243.48164	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+2K-H"	76.91904
"601649"	1826.76294	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+2K-H"	76.91904
"1091629"	660.20034	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2K-H"	76.91904
"146260"	622.244458	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"2M+2K"	77.926316
"584724"	913.885108	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"3M+2K"	77.926316
"1071795"	330.603808	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2K"	77.926316
"1106829"	662.214892	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2K+H"	78.933592
"1339933"	662.302507	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+DMSO+H"	79.021207
"1011742"	666.341676	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2ACN+H"	83.060376
"1526220"	667.335308	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+IsoProp+Na+H"	84.054008
"1002884"	333.674476	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+2ACN+2H"	84.067652
"1600666"	668.249928	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+K+HCOOH"	84.968628
"1426329"	698.281438	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+H+CF3COOH"	115.000138
"1159896"	354.187751	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+3ACN+2H"	125.094202
"1710542"	715.307985	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+NH4+CF3COOH"	132.026685
"1647282"	720.26338	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+Na+CF3COOH"	136.98208
"1578559"	736.23732	"C01023"	"Dihydrostreptomycin"	"C21H41N7O12"	"583.2813"	"M+K+CF3COOH"	152.95602
"812206"	854.2858	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M"	0
"987563"	835.26741	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-H2O-H"	-19.01839
"71798"	568.516590666667	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M-3H"	-3.021828
"506983"	853.278524	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M-3H"	-3.021828
"890256"	283.754657333333	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-3H"	-3.021828
"13211"	853.278524	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M-2H"	-2.014552
"451677"	1280.421424	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M-2H"	-2.014552
"828382"	426.135624	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-2H"	-2.014552
"85093"	1707.564324	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M-H"	-1.007276
"523562"	2561.850124	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M-H"	-1.007276
"897111"	853.278524	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-H"	-1.007276
"55739"	1724.590871	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M-2H+NH4"	16.019271
"495300"	2578.876671	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M-2H+NH4"	16.019271
"870914"	870.305071	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-2H+NH4"	16.019271
"31545"	1729.546266	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M-2H+Na"	20.974666
"485552"	2583.832066	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M-2H+Na"	20.974666
"862741"	875.260466	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-2H+Na"	20.974666
"1630087"	875.260466	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Na-2H"	20.974666
"104435"	871.266863	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M-H+Cl"	33.962126
"545087"	1298.409763	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M-H+Cl"	33.962126
"939696"	444.123963	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-H+Cl"	33.962126
"282021"	1743.541002	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+Cl"	34.969402
"670680"	2597.826802	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+Cl"	34.969402
"1279801"	889.255202	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Cl"	34.969402
"20170"	1745.520206	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M-2H+K"	36.948606
"460824"	2599.806006	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M-2H+K"	36.948606
"838625"	891.234406	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-2H+K"	36.948606
"1562113"	891.234406	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+K-2H"	36.948606
"953281"	899.283994	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-H+HCOOH"	44.998194
"367123"	1753.569801	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+HCOOH-H"	44.998201
"346264"	1767.585451	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+Hac-H"	59.013851
"1493640"	913.299651	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Hac-H"	59.013851
"958991"	921.265951	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-H+NaCOOH"	66.980151
"110075"	889.255202	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+2Cl"	69.938804
"552195"	1316.398102	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+2Cl"	69.938804
"1021418"	462.112302	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2Cl"	69.938804
"1242759"	933.204685	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Br"	78.918885
"1306665"	935.260672	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Cl+HCOOH"	80.974872
"1324165"	957.242629	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Cl+NaCOOH"	102.956829
"913400"	967.271386	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M-H+CF3COOH"	112.985586
"1290472"	1003.248064	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Cl+CF3COOH"	148.962264
"1370456"	819.273124	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H-2H2O"	-35.012676
"1386130"	837.2831	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H-H2O"	-17.0027
"291658"	1709.578876	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+H"	1.007276
"681896"	2563.864676	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+H"	1.007276
"1361525"	855.293076	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H"	1.007276
"132227"	855.293076	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+2H"	2.014552
"573975"	1282.435976	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+2H"	2.014552
"1047148"	428.150176	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2H"	2.014552
"212862"	570.531142666667	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+3H"	3.021828
"655705"	855.293076	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+3H"	3.021828
"1176019"	285.769209333333	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+3H"	3.021828
"437836"	1726.605423	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+NH4"	18.033823
"799195"	2580.891223	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+NH4"	18.033823
"1695892"	872.319623	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+NH4"	18.033823
"340523"	863.8063495	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+H+NH4"	19.041099
"735863"	1290.9492495	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+H+NH4"	19.041099
"1481665"	436.6634495	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H+NH4"	19.041099
"401076"	1731.560818	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+Na"	22.989218
"760978"	2585.846618	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+Na"	22.989218
"1607981"	877.275018	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Na"	22.989218
"320203"	866.284047	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+H+Na"	23.996494
"712623"	1293.426947	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+H+Na"	23.996494
"1468628"	439.141147	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H+Na"	23.996494
"1057500"	293.096523333333	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2H+Na"	25.00377
"1262459"	887.319286	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+CH3OH+H"	33.033486
"383218"	1747.534758	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+K"	38.963158
"743121"	2601.820558	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+K"	38.963158
"1545172"	893.248958	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+K"	38.963158
"302713"	874.271017	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+H+K"	39.970434
"695865"	1301.413917	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+H+K"	39.970434
"1446773"	447.128117	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H+K"	39.970434
"245955"	1750.605426	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+ACN+H"	42.033826
"1214289"	896.319626	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+ACN+H"	42.033826
"1205829"	448.663451	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+ACN+2H"	43.041102
"196513"	1753.54276	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+2Na-H"	44.97116
"634977"	2607.82856	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+2Na-H"	44.97116
"1137393"	899.25696	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2Na-H"	44.97116
"180685"	877.275018	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+2Na"	45.978436
"621337"	1304.417918	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+2Na"	45.978436
"1120468"	450.132118	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2Na"	45.978436
"1405087"	300.423837333333	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H+2Na"	46.985712
"1440481"	901.298546	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H+HCOOH"	47.012746
"222884"	882.30804	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+3H2O+2H"	56.04448
"1517145"	915.35059	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+IsoProp+H"	61.06479
"420112"	885.261988	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+Na+K"	61.952376
"784762"	1312.404888	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+Na+K"	61.952376
"1677446"	458.119088	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Na+K"	61.952376
"265060"	1772.587368	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+ACN+Na"	64.015768
"1240078"	918.301568	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+ACN+Na"	64.015768
"1727261"	918.325093	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+NH4+HCOOH"	64.039293
"1187631"	307.751151333333	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+3Na"	68.967654
"1655340"	923.280488	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Na+HCOOH"	68.994688
"163294"	1785.49064	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+2K-H"	76.91904
"605039"	2639.77644	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+2K-H"	76.91904
"1091739"	931.20484	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2K-H"	76.91904
"146370"	893.248958	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"2M+2K"	77.926316
"583011"	1320.391858	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"3M+2K"	77.926316
"1071540"	466.106058	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2K"	77.926316
"1106939"	933.219392	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2K+H"	78.933592
"1340043"	933.307007	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+DMSO+H"	79.021207
"1009665"	937.346176	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2ACN+H"	83.060376
"1526694"	938.339808	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+IsoProp+Na+H"	84.054008
"1000807"	469.176726	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+2ACN+2H"	84.067652
"1598590"	939.254428	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+K+HCOOH"	84.968628
"1428626"	969.285938	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+H+CF3COOH"	115.000138
"1160006"	489.690001	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+3ACN+2H"	125.094202
"1711989"	986.312485	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+NH4+CF3COOH"	132.026685
"1646299"	991.26788	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+Na+CF3COOH"	136.98208
"1578669"	1007.24182	"C01024"	"Hydroxymethylbilane"	"C40H46N4O17"	"854.2858"	"M+K+CF3COOH"	152.95602
"812319"	103.0633	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M"	0
"982572"	84.04491	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"63402"	67.7015906666667	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"514751"	102.056024	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"891461"	33.3471573333333	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"8944"	102.056024	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"447411"	153.587674	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"825210"	50.524374	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"83015"	205.119324	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"525858"	308.182624	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"899283"	102.056024	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"47451"	222.145871	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"496503"	325.209171	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"873213"	119.082571	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"43308"	227.101266	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"481769"	330.164566	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"862733"	124.037966	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1621451"	124.037966	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"101260"	120.044363	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"543010"	171.576013	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"939805"	68.512713	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"278364"	241.096002	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"670787"	344.159302	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1283188"	138.032702	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"26839"	243.075206	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"464214"	346.138506	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"836548"	140.011906	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1560038"	140.011906	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"949019"	148.061494	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"365045"	251.124801	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"346214"	265.140451	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1493865"	162.077151	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"958977"	170.043451	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"110555"	138.032702	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"550844"	189.564352	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1021474"	86.501052	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1242501"	181.982185	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1307505"	184.038172	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1321355"	206.020129	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"914237"	216.048886	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1294227"	252.025564	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1367403"	68.050624	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1386614"	86.0606	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"290677"	207.133876	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"682005"	310.197176	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1359448"	104.070576	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"135619"	104.070576	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"571898"	155.602226	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1045071"	52.538926	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"216255"	69.7161426666667	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"653630"	104.070576	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1177348"	35.3617093333333	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"434666"	224.160423	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"797118"	327.223723	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1692354"	121.097123	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"339540"	112.5838495	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"729779"	164.1154995	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1481047"	61.0521995	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"398999"	229.115818	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"763274"	332.179118	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1606997"	126.052518	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"320310"	115.061547	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"717105"	166.593197	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1464365"	63.529897	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1057609"	42.6890233333333	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1263661"	136.096786	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"380050"	245.089758	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"743231"	348.153058	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1543459"	142.026458	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"302094"	123.048517	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"693795"	174.580167	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1457463"	71.516867	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"244972"	248.160426	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1214399"	145.097126	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1204847"	73.052201	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"195531"	251.09776	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"635453"	354.16106	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1137137"	148.03446	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"177509"	126.052518	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"619261"	177.584168	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1123859"	74.520868	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1409569"	50.0163373333333	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1439498"	150.076046	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"224088"	131.08554	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1520540"	164.12809	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"419135"	134.039488	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"782316"	185.571138	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1676462"	82.507838	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"261890"	270.142368	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1238607"	167.079068	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1726399"	167.102593	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1180455"	57.3436513333333	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1652170"	172.057988	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"163404"	283.04564	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"606243"	386.10894	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1089663"	179.98234	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"141782"	142.026458	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"584587"	193.558108	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1068775"	90.494808	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1107049"	181.996892	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1342342"	182.084507	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1011965"	186.123676	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1538844"	187.117308	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"1004198"	93.565476	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1600889"	188.031928	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1427642"	218.063438	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1159751"	114.078751	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1706384"	235.089985	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1637662"	240.04538	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1575498"	256.01932	"C01026"	"NN-Dimethylglycine;Dimethylglycine"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"805867"	162.1004	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M"	0
"974347"	143.08201	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H2O-H"	-19.01839
"64484"	107.059657333333	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-3H"	-3.021828
"513768"	161.093124	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-3H"	-3.021828
"889384"	53.0261906666667	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-3H"	-3.021828
"6865"	161.093124	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H"	-2.014552
"443144"	242.143324	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H"	-2.014552
"818758"	80.042924	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H"	-2.014552
"80936"	323.193524	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-H"	-1.007276
"518704"	485.293924	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-H"	-1.007276
"896103"	161.093124	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H"	-1.007276
"47926"	340.220071	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+NH4"	16.019271
"488956"	502.320471	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+NH4"	16.019271
"866759"	178.119671	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+NH4"	16.019271
"40133"	345.175466	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+Na"	20.974666
"472028"	507.275866	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+Na"	20.974666
"848856"	183.075066	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+Na"	20.974666
"1621559"	183.075066	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na-2H"	20.974666
"101370"	179.081463	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-H+Cl"	33.962126
"542024"	260.131663	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-H+Cl"	33.962126
"932258"	98.031263	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+Cl"	33.962126
"282572"	359.170202	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Cl"	34.969402
"666522"	521.270602	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Cl"	34.969402
"1286578"	197.069802	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl"	34.969402
"29135"	361.149406	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+K"	36.948606
"461043"	523.249806	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+K"	36.948606
"842125"	199.049006	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+K"	36.948606
"1564522"	199.049006	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K-2H"	36.948606
"948033"	207.098594	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+HCOOH"	44.998194
"363331"	369.199001	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+HCOOH-H"	44.998201
"348308"	383.214651	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Hac-H"	59.013851
"1496770"	221.114251	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Hac-H"	59.013851
"961394"	229.080551	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+NaCOOH"	66.980151
"110907"	197.069802	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Cl"	69.938804
"550953"	278.120002	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Cl"	69.938804
"1024492"	116.019602	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Cl"	69.938804
"1247720"	241.019285	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Br"	78.918885
"1307980"	243.075272	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+HCOOH"	80.974872
"1327664"	265.057229	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+NaCOOH"	102.956829
"913251"	275.085986	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+CF3COOH"	112.985586
"1291784"	311.062664	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+CF3COOH"	148.962264
"1369582"	127.087724	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H-2H2O"	-35.012676
"1384535"	145.0977	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H-H2O"	-17.0027
"292971"	325.208076	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H"	1.007276
"681021"	487.308476	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H"	1.007276
"1357370"	163.107676	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H"	1.007276
"135728"	163.107676	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2H"	2.014552
"574195"	244.157876	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2H"	2.014552
"1044087"	82.057476	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2H"	2.014552
"219878"	109.074209333333	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+3H"	3.021828
"659696"	163.107676	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+3H"	3.021828
"1176239"	55.0407426666667	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3H"	3.021828
"437323"	342.234623	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+NH4"	18.033823
"799412"	504.335023	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+NH4"	18.033823
"1694650"	180.134223	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4"	18.033823
"340743"	171.6209495	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+NH4"	19.041099
"733165"	252.6711495	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+NH4"	19.041099
"1486984"	90.5707495	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+NH4"	19.041099
"400197"	347.190018	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Na"	22.989218
"761191"	509.290418	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Na"	22.989218
"1608195"	185.089618	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na"	22.989218
"319326"	174.098647	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+Na"	23.996494
"713933"	255.148847	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+Na"	23.996494
"1465566"	93.048447	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+Na"	23.996494
"1057718"	62.3680566666667	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2H+Na"	25.00377
"1263769"	195.133886	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+CH3OH+H"	33.033486
"378093"	363.163958	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+K"	38.963158
"740059"	525.264358	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+K"	38.963158
"1541016"	201.063558	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K"	38.963158
"299654"	182.085617	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+K"	39.970434
"692079"	263.135817	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+K"	39.970434
"1452105"	101.035417	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+K"	39.970434
"246175"	366.234626	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+ACN+H"	42.033826
"1215603"	204.134226	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+H"	42.033826
"1204957"	102.570751	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+2H"	43.041102
"196731"	369.17196	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Na-H"	44.97116
"630459"	531.27236	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Na-H"	44.97116
"1138704"	207.07156	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Na-H"	44.97116
"176527"	185.089618	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Na"	45.978436
"619372"	266.139818	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Na"	45.978436
"1122877"	104.039418	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Na"	45.978436
"1407128"	69.6953706666667	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+2Na"	46.985712
"1436326"	209.113146	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+HCOOH"	47.012746
"221282"	190.12264	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+3H2O+2H"	56.04448
"1508979"	223.16519	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+H"	61.06479
"414867"	193.076588	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Na+K"	61.952376
"776957"	274.126788	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Na+K"	61.952376
"1673289"	112.026388	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+K"	61.952376
"257622"	388.216568	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+ACN+Na"	64.015768
"1234705"	226.116168	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+Na"	64.015768
"1714843"	226.139693	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4+HCOOH"	64.039293
"1184573"	77.0226846666667	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3Na"	68.967654
"1657744"	231.095088	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+HCOOH"	68.994688
"161326"	401.11984	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2K-H"	76.91904
"600885"	563.22024	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2K-H"	76.91904
"1088680"	239.01944	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K-H"	76.91904
"142338"	201.063558	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2K"	77.926316
"582874"	282.113758	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2K"	77.926316
"1069697"	120.013358	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K"	77.926316
"1103879"	241.033992	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K+H"	78.933592
"1343545"	241.121607	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+DMSO+H"	79.021207
"1009888"	245.160776	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2ACN+H"	83.060376
"1538226"	246.154408	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+Na+H"	84.054008
"1004308"	123.084026	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2ACN+2H"	84.067652
"1601850"	247.069028	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K+HCOOH"	84.968628
"1427752"	277.100538	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+CF3COOH"	115.000138
"1159861"	143.597301	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3ACN+2H"	125.094202
"1706494"	294.127085	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4+CF3COOH"	132.026685
"1637772"	299.08248	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+CF3COOH"	136.98208
"1575608"	315.05642	"C01028"	"N6-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K+CF3COOH"	152.95602
"805977"	187.1685	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M"	0
"974648"	168.15011	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H2O-H"	-19.01839
"65566"	123.771724	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-3H"	-3.021828
"514971"	186.161224	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-3H"	-3.021828
"885121"	61.382224	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-3H"	-3.021828
"414"	186.161224	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H"	-2.014552
"441432"	279.745474	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H"	-2.014552
"817776"	92.576974	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H"	-2.014552
"78982"	373.329724	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-H"	-1.007276
"519383"	560.498224	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-H"	-1.007276
"897306"	186.161224	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H"	-1.007276
"48885"	390.356271	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H+NH4"	16.019271
"488091"	577.524771	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H+NH4"	16.019271
"864799"	203.187771	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H+NH4"	16.019271
"35866"	395.311666	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H+Na"	20.974666
"478707"	582.480166	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H+Na"	20.974666
"849578"	208.143166	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H+Na"	20.974666
"1621669"	208.143166	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na-2H"	20.974666
"101480"	204.149563	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-H+Cl"	33.962126
"534717"	297.733813	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-H+Cl"	33.962126
"932368"	110.565313	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+Cl"	33.962126
"282351"	409.306402	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Cl"	34.969402
"667725"	596.474902	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+Cl"	34.969402
"1283408"	222.137902	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl"	34.969402
"30217"	411.285606	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M-2H+K"	36.948606
"464433"	598.454106	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M-2H+K"	36.948606
"845151"	224.117106	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-2H+K"	36.948606
"1564632"	224.117106	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K-2H"	36.948606
"949237"	232.166694	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+HCOOH"	44.998194
"362348"	419.335201	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+HCOOH-H"	44.998201
"345986"	433.350851	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Hac-H"	59.013851
"1495057"	246.182351	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Hac-H"	59.013851
"960410"	254.148651	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+NaCOOH"	66.980151
"112598"	222.137902	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2Cl"	69.938804
"552157"	315.722152	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2Cl"	69.938804
"1023146"	128.553652	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2Cl"	69.938804
"1244550"	266.087385	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Br"	78.918885
"1308818"	268.143372	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl+HCOOH"	80.974872
"1327774"	290.125329	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl+NaCOOH"	102.956829
"913363"	300.154086	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M-H+CF3COOH"	112.985586
"1294445"	336.130764	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Cl+CF3COOH"	148.962264
"1368591"	152.155824	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H-2H2O"	-35.012676
"1384025"	170.1658	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H-H2O"	-17.0027
"285786"	375.344276	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H"	1.007276
"681130"	562.512776	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H"	1.007276
"1351563"	188.175776	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H"	1.007276
"130367"	188.175776	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2H"	2.014552
"575398"	281.760026	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2H"	2.014552
"1044197"	94.591526	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2H"	2.014552
"215381"	125.786276	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+3H"	3.021828
"658224"	188.175776	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+3H"	3.021828
"1175255"	63.396776	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+3H"	3.021828
"434153"	392.370823	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+NH4"	18.033823
"796242"	579.539323	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+NH4"	18.033823
"1694396"	205.202323	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+NH4"	18.033823
"344498"	196.6890495	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H+NH4"	19.041099
"735462"	290.2732995	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H+NH4"	19.041099
"1487095"	103.1047995	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+NH4"	19.041099
"399214"	397.326218	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Na"	22.989218
"763489"	584.494718	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+Na"	22.989218
"1609400"	210.157718	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na"	22.989218
"319437"	199.166747	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H+Na"	23.996494
"714044"	292.750997	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H+Na"	23.996494
"1464584"	105.582497	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+Na"	23.996494
"1055642"	70.72409	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2H+Na"	25.00377
"1264972"	220.201986	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+CH3OH+H"	33.033486
"378082"	413.300158	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+K"	38.963158
"741263"	600.468658	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+K"	38.963158
"1542585"	226.131658	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K"	38.963158
"299764"	207.153717	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+H+K"	39.970434
"693280"	300.737967	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+H+K"	39.970434
"1447833"	113.569467	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+K"	39.970434
"236560"	416.370826	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+ACN+H"	42.033826
"1215713"	229.202326	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+ACN+H"	42.033826
"1202880"	115.104801	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+ACN+2H"	43.041102
"192832"	419.30816	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2Na-H"	44.97116
"630569"	606.47666	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2Na-H"	44.97116
"1137720"	232.13966	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2Na-H"	44.97116
"176637"	210.157718	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2Na"	45.978436
"619481"	303.741968	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2Na"	45.978436
"1125173"	116.573468	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2Na"	45.978436
"1406509"	78.051404	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+2Na"	46.985712
"1436436"	234.181246	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+HCOOH"	47.012746
"223214"	215.19074	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+3H2O+2H"	56.04448
"1511275"	248.23329	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+IsoProp+H"	61.06479
"409746"	218.144688	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+Na+K"	61.952376
"780346"	311.728938	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+Na+K"	61.952376
"1672305"	124.560438	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na+K"	61.952376
"258825"	438.352768	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+ACN+Na"	64.015768
"1234815"	251.184268	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+ACN+Na"	64.015768
"1716046"	251.207793	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+NH4+HCOOH"	64.039293
"1183590"	85.378718	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+3Na"	68.967654
"1655668"	256.163188	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na+HCOOH"	68.994688
"164716"	451.25604	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2K-H"	76.91904
"602089"	638.42454	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2K-H"	76.91904
"1088790"	264.08754	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2K-H"	76.91904
"146701"	226.131658	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"2M+2K"	77.926316
"582620"	319.715908	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"3M+2K"	77.926316
"1069321"	132.547408	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2K"	77.926316
"1101072"	266.102092	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2K+H"	78.933592
"1343655"	266.189707	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+DMSO+H"	79.021207
"1007811"	270.228876	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2ACN+H"	83.060376
"1532502"	271.222508	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+IsoProp+Na+H"	84.054008
"1004176"	135.618076	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+2ACN+2H"	84.067652
"1601960"	272.137128	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K+HCOOH"	84.968628
"1427861"	302.168638	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+H+CF3COOH"	115.000138
"1157055"	156.131351	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+3ACN+2H"	125.094202
"1706604"	319.195185	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+NH4+CF3COOH"	132.026685
"1636788"	324.15058	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+Na+CF3COOH"	136.98208
"1575718"	340.12452	"C01029"	"N8-Acetylspermidine"	"C9H21N3O"	"187.1685"	"M+K+CF3COOH"	152.95602
"806087"	335.0787	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M"	0
"975000"	316.06031	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-H2O-H"	-19.01839
"63732"	222.378524	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M-3H"	-3.021828
"514717"	334.071424	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M-3H"	-3.021828
"887416"	110.685624	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-3H"	-3.021828
"1740"	334.071424	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M-2H"	-2.014552
"443364"	501.610774	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M-2H"	-2.014552
"818124"	166.532074	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-2H"	-2.014552
"79208"	669.150124	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M-H"	-1.007276
"520712"	1004.228824	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M-H"	-1.007276
"896446"	334.071424	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-H"	-1.007276
"47784"	686.176671	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M-2H+NH4"	16.019271
"488201"	1021.255371	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M-2H+NH4"	16.019271
"865153"	351.097971	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-2H+NH4"	16.019271
"33060"	691.132066	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M-2H+Na"	20.974666
"473713"	1026.210766	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M-2H+Na"	20.974666
"853340"	356.053366	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-2H+Na"	20.974666
"1619590"	356.053366	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Na-2H"	20.974666
"101590"	352.059763	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M-H+Cl"	33.962126
"535191"	519.599113	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M-H+Cl"	33.962126
"932478"	184.520413	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-H+Cl"	33.962126
"282820"	705.126802	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+Cl"	34.969402
"673302"	1040.205502	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+Cl"	34.969402
"1286798"	370.048102	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Cl"	34.969402
"31334"	707.106006	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M-2H+K"	36.948606
"466729"	1042.184706	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M-2H+K"	36.948606
"842345"	372.027306	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-2H+K"	36.948606
"1564742"	372.027306	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+K-2H"	36.948606
"946067"	380.076894	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-H+HCOOH"	44.998194
"364282"	715.155601	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+HCOOH-H"	44.998201
"347433"	729.171251	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+Hac-H"	59.013851
"1494801"	394.092551	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Hac-H"	59.013851
"959670"	402.058851	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-H+NaCOOH"	66.980151
"111370"	370.048102	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+2Cl"	69.938804
"552025"	537.587452	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+2Cl"	69.938804
"1023501"	202.508752	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2Cl"	69.938804
"1253043"	413.997585	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Br"	78.918885
"1307836"	416.053572	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Cl+HCOOH"	80.974872
"1325332"	438.035529	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Cl+NaCOOH"	102.956829
"916756"	448.064286	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M-H+CF3COOH"	112.985586
"1294558"	484.040964	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Cl+CF3COOH"	148.962264
"1369069"	300.066024	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H-2H2O"	-35.012676
"1390218"	318.076	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H-H2O"	-17.0027
"283708"	671.164676	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+H"	1.007276
"680146"	1006.243376	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+H"	1.007276
"1353214"	336.085976	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H"	1.007276
"129382"	336.085976	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+2H"	2.014552
"575508"	503.625326	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+2H"	2.014552
"1045400"	168.546626	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2H"	2.014552
"217680"	224.393076	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+3H"	3.021828
"657608"	336.085976	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+3H"	3.021828
"1175366"	112.700176	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+3H"	3.021828
"438763"	688.191223	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+NH4"	18.033823
"798905"	1023.269923	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+NH4"	18.033823
"1694146"	353.112523	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+NH4"	18.033823
"344609"	344.5992495	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+H+NH4"	19.041099
"732292"	512.1385995	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+H+NH4"	19.041099
"1485019"	177.0598995	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H+NH4"	19.041099
"399324"	693.146618	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+Na"	22.989218
"759226"	1028.225318	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+Na"	22.989218
"1609510"	358.067918	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Na"	22.989218
"318455"	347.076947	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+H+Na"	23.996494
"714155"	514.616297	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+H+Na"	23.996494
"1469068"	179.537597	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H+Na"	23.996494
"1059033"	120.02749	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2H+Na"	25.00377
"1261804"	368.112186	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+CH3OH+H"	33.033486
"382565"	709.120558	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+K"	38.963158
"746840"	1044.199258	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+K"	38.963158
"1542333"	374.041858	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+K"	38.963158
"300605"	355.063917	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+H+K"	39.970434
"694122"	522.603267	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+H+K"	39.970434
"1451226"	187.524567	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H+K"	39.970434
"238733"	712.191226	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+ACN+H"	42.033826
"1211444"	377.112526	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+ACN+H"	42.033826
"1205178"	189.059901	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+ACN+2H"	43.041102
"195860"	715.12856	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+2Na-H"	44.97116
"634326"	1050.20726	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+2Na-H"	44.97116
"1134551"	380.04986	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2Na-H"	44.97116
"178935"	358.067918	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+2Na"	45.978436
"620684"	525.607268	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+2Na"	45.978436
"1125283"	190.528568	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2Na"	45.978436
"1404433"	127.354804	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H+2Na"	46.985712
"1439828"	382.091446	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H+HCOOH"	47.012746
"225148"	363.10094	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+3H2O+2H"	56.04448
"1514305"	396.14349	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+IsoProp+H"	61.06479
"409492"	366.054888	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+Na+K"	61.952376
"773897"	533.594238	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+Na+K"	61.952376
"1668042"	198.515538	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Na+K"	61.952376
"257842"	734.173168	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+ACN+Na"	64.015768
"1234925"	399.094468	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+ACN+Na"	64.015768
"1715063"	399.117993	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+NH4+HCOOH"	64.039293
"1186980"	134.682118	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+3Na"	68.967654
"1655778"	404.073388	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Na+HCOOH"	68.994688
"161546"	747.07644	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+2K-H"	76.91904
"599281"	1082.15514	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+2K-H"	76.91904
"1088900"	411.99774	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2K-H"	76.91904
"144624"	374.041858	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"2M+2K"	77.926316
"585282"	541.581208	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"3M+2K"	77.926316
"1070038"	206.502508	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2K"	77.926316
"1101302"	414.012292	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2K+H"	78.933592
"1344859"	414.099907	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+DMSO+H"	79.021207
"1010108"	418.139076	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2ACN+H"	83.060376
"1532612"	419.132708	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+IsoProp+Na+H"	84.054008
"1003434"	209.573176	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+2ACN+2H"	84.067652
"1599031"	420.047328	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+K+HCOOH"	84.968628
"1425784"	450.078838	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+H+CF3COOH"	115.000138
"1152790"	230.086451	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+3ACN+2H"	125.094202
"1703434"	467.105385	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+NH4+CF3COOH"	132.026685
"1634711"	472.06078	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+Na+CF3COOH"	136.98208
"1574734"	488.03472	"C01031"	"S-Formylglutathione"	"C11H17N3O7S"	"335.0787"	"M+K+CF3COOH"	152.95602
"801821"	851.1727	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M"	0
"977909"	832.15431	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H2O-H"	-19.01839
"65786"	566.441190666667	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-3H"	-3.021828
"506810"	850.165424	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-3H"	-3.021828
"882424"	282.716957333333	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-3H"	-3.021828
"308"	850.165424	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H"	-2.014552
"442381"	1275.751774	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H"	-2.014552
"818716"	424.579074	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H"	-2.014552
"78827"	1701.338124	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-H"	-1.007276
"518997"	2552.510824	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-H"	-1.007276
"896232"	850.165424	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H"	-1.007276
"47368"	1718.364671	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+NH4"	16.019271
"490384"	2569.537371	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+NH4"	16.019271
"867820"	867.191971	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+NH4"	16.019271
"38275"	1723.320066	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+Na"	20.974666
"473825"	2574.492766	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+Na"	20.974666
"848909"	872.147366	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+Na"	20.974666
"1620068"	872.147366	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na-2H"	20.974666
"101700"	868.153763	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-H+Cl"	33.962126
"542356"	1293.740113	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-H+Cl"	33.962126
"939152"	442.567413	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+Cl"	33.962126
"279897"	1737.314802	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Cl"	34.969402
"662842"	2588.487502	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Cl"	34.969402
"1280350"	886.142102	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl"	34.969402
"23999"	1739.294006	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+K"	36.948606
"463561"	2590.466706	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+K"	36.948606
"842453"	888.121306	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+K"	36.948606
"1565947"	888.121306	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K-2H"	36.948606
"951644"	896.170894	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+HCOOH"	44.998194
"369859"	1747.343601	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+HCOOH-H"	44.998201
"346815"	1761.359251	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Hac-H"	59.013851
"1493093"	910.186551	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Hac-H"	59.013851
"960272"	918.152851	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+NaCOOH"	66.980151
"111728"	886.142102	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Cl"	69.938804
"552014"	1311.728452	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Cl"	69.938804
"1026284"	460.555752	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Cl"	69.938804
"1244770"	930.091585	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Br"	78.918885
"1314871"	932.147572	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+HCOOH"	80.974872
"1327994"	954.129529	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+NaCOOH"	102.956829
"912854"	964.158286	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+CF3COOH"	112.985586
"1290291"	1000.134964	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+CF3COOH"	148.962264
"1368450"	816.160024	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H-2H2O"	-35.012676
"1387049"	834.17	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H-H2O"	-17.0027
"283822"	1703.352676	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H"	1.007276
"677098"	2554.525376	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H"	1.007276
"1355514"	852.179976	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H"	1.007276
"133870"	852.179976	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2H"	2.014552
"580724"	1277.766326	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2H"	2.014552
"1052072"	426.593626	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2H"	2.014552
"219613"	568.455742666667	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+3H"	3.021828
"658444"	852.179976	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+3H"	3.021828
"1173290"	284.731509333333	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3H"	3.021828
"434376"	1720.379223	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+NH4"	18.033823
"796464"	2571.551923	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+NH4"	18.033823
"1690610"	869.206523	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4"	18.033823
"337793"	860.6932495	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+NH4"	19.041099
"731309"	1286.2795995	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+NH4"	19.041099
"1481849"	435.1068995	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+NH4"	19.041099
"394335"	1725.334618	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Na"	22.989218
"759336"	2576.507318	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Na"	22.989218
"1603427"	874.161918	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na"	22.989218
"318565"	863.170947	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+Na"	23.996494
"711349"	1288.757297	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+Na"	23.996494
"1465532"	437.584597	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+Na"	23.996494
"1058050"	292.058823333333	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2H+Na"	25.00377
"1261913"	884.206186	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+CH3OH+H"	33.033486
"381216"	1741.308558	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+K"	38.963158
"739664"	2592.481258	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+K"	38.963158
"1540622"	890.135858	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K"	38.963158
"299621"	871.157917	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+K"	39.970434
"692411"	1296.744267	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+K"	39.970434
"1447086"	445.571567	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+K"	39.970434
"237754"	1744.379226	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+H"	42.033826
"1211918"	893.206526	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+H"	42.033826
"1205287"	447.106901	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+2H"	43.041102
"197066"	1747.31656	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na-H"	44.97116
"636624"	2598.48926	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na-H"	44.97116
"1141224"	896.14386	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Na-H"	44.97116
"179046"	874.161918	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na"	45.978436
"617516"	1299.748268	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na"	45.978436
"1118830"	448.575568	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Na"	45.978436
"1406729"	299.386137333333	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+2Na"	46.985712
"1437750"	898.185446	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+HCOOH"	47.012746
"227445"	879.19494	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+3H2O+2H"	56.04448
"1514415"	912.23749	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+H"	61.06479
"419935"	882.148888	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Na+K"	61.952376
"781296"	1307.735238	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Na+K"	61.952376
"1677996"	456.562538	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+K"	61.952376
"261234"	1766.361168	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+Na"	64.015768
"1236129"	915.188468	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+Na"	64.015768
"1716994"	915.211993	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+HCOOH"	64.039293
"1183810"	306.713451333333	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3Na"	68.967654
"1659171"	920.167388	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+HCOOH"	68.994688
"163845"	1779.26444	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2K-H"	76.91904
"603406"	2630.43714	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2K-H"	76.91904
"1086461"	928.09174	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K-H"	76.91904
"144734"	890.135858	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2K"	77.926316
"587581"	1315.722208	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2K"	77.926316
"1075376"	464.549508	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K"	77.926316
"1108587"	930.106292	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K+H"	78.933592
"1343876"	930.193907	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+DMSO+H"	79.021207
"1009126"	934.233076	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+H"	83.060376
"1539616"	935.226708	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+Na+H"	84.054008
"1003544"	467.620176	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+2H"	84.067652
"1593674"	936.141328	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K+HCOOH"	84.968628
"1421519"	966.172838	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+CF3COOH"	115.000138
"1147917"	488.133451	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3ACN+2H"	125.094202
"1698440"	983.199385	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+CF3COOH"	132.026685
"1635185"	988.15478	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+CF3COOH"	136.98208
"1573751"	1004.12872	"C01033"	"2-Methylbutanoyl-CoA;2-Methylbutyryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K+CF3COOH"	152.95602
"801399"	272.214	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M"	0
"977655"	253.19561	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-H2O-H"	-19.01839
"65896"	180.468724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M-3H"	-3.021828
"506555"	271.206724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M-3H"	-3.021828
"883263"	89.730724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-3H"	-3.021828
"744"	271.206724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M-2H"	-2.014552
"440001"	407.313724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M-2H"	-2.014552
"817734"	135.099724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-2H"	-2.014552
"78647"	543.420724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M-H"	-1.007276
"518865"	815.634724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M-H"	-1.007276
"895746"	271.206724	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-H"	-1.007276
"47633"	560.447271	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M-2H+NH4"	16.019271
"487691"	832.661271	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M-2H+NH4"	16.019271
"868295"	288.233271	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-2H+NH4"	16.019271
"36198"	565.402666	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M-2H+Na"	20.974666
"474664"	837.616666	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M-2H+Na"	20.974666
"848777"	293.188666	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-2H+Na"	20.974666
"1619814"	293.188666	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Na-2H"	20.974666
"98530"	289.195063	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M-H+Cl"	33.962126
"543559"	425.302063	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M-H+Cl"	33.962126
"937076"	153.088063	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-H+Cl"	33.962126
"277820"	579.397402	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+Cl"	34.969402
"670243"	851.611402	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+Cl"	34.969402
"1280460"	307.183402	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Cl"	34.969402
"24109"	581.376606	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M-2H+K"	36.948606
"464764"	853.590606	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M-2H+K"	36.948606
"842563"	309.162606	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-2H+K"	36.948606
"1564964"	309.162606	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+K-2H"	36.948606
"951754"	317.212194	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-H+HCOOH"	44.998194
"369969"	589.426201	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+HCOOH-H"	44.998201
"347291"	603.441851	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+Hac-H"	59.013851
"1492956"	331.227851	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Hac-H"	59.013851
"960382"	339.194151	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-H+NaCOOH"	66.980151
"112569"	307.183402	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+2Cl"	69.938804
"550422"	443.290402	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+2Cl"	69.938804
"1026394"	171.076402	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2Cl"	69.938804
"1244878"	351.132885	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Br"	78.918885
"1314981"	353.188872	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Cl+HCOOH"	80.974872
"1328104"	375.170829	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Cl+NaCOOH"	102.956829
"912235"	385.199586	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M-H+CF3COOH"	112.985586
"1289429"	421.176264	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Cl+CF3COOH"	148.962264
"1368928"	237.201324	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H-2H2O"	-35.012676
"1385332"	255.2113	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H-H2O"	-17.0027
"284661"	545.435276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+H"	1.007276
"677088"	817.649276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+H"	1.007276
"1354531"	273.221276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H"	1.007276
"131794"	273.221276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+2H"	2.014552
"579740"	409.328276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+2H"	2.014552
"1048902"	137.114276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2H"	2.014552
"217171"	182.483276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+3H"	3.021828
"657462"	273.221276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+3H"	3.021828
"1171213"	91.745276	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+3H"	3.021828
"432300"	562.461823	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+NH4"	18.033823
"794389"	834.675823	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+NH4"	18.033823
"1687437"	290.247823	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+NH4"	18.033823
"336809"	281.7345495	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+H+NH4"	19.041099
"728139"	417.8415495	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+H+NH4"	19.041099
"1481958"	145.6275495	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H+NH4"	19.041099
"394079"	567.417218	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+Na"	22.989218
"757257"	839.631218	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+Na"	22.989218
"1603292"	295.203218	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Na"	22.989218
"316488"	284.212247	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+H+Na"	23.996494
"709272"	420.319247	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+H+Na"	23.996494
"1464187"	148.105247	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H+Na"	23.996494
"1053422"	99.07259	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2H+Na"	25.00377
"1258499"	305.247486	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+CH3OH+H"	33.033486
"379506"	583.391158	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+K"	38.963158
"738609"	855.605158	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+K"	38.963158
"1540973"	311.177158	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+K"	38.963158
"299241"	292.199217	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+H+K"	39.970434
"691705"	428.306217	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+H+K"	39.970434
"1445899"	156.092217	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H+K"	39.970434
"236405"	586.461826	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+ACN+H"	42.033826
"1210690"	314.247826	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+ACN+H"	42.033826
"1196277"	157.627551	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+ACN+2H"	43.041102
"193895"	589.39916	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+2Na-H"	44.97116
"635641"	861.61316	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+2Na-H"	44.97116
"1141334"	317.18516	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2Na-H"	44.97116
"182438"	295.203218	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+2Na"	45.978436
"622365"	431.310218	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+2Na"	45.978436
"1121131"	159.096218	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2Na"	45.978436
"1403559"	106.399904	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H+2Na"	46.985712
"1440047"	319.226746	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H+HCOOH"	47.012746
"223180"	300.23624	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+3H2O+2H"	56.04448
"1514525"	333.27879	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+IsoProp+H"	61.06479
"418586"	303.190188	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+Na+K"	61.952376
"781042"	439.297188	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+Na+K"	61.952376
"1675917"	167.083188	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Na+K"	61.952376
"261344"	608.443768	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+ACN+Na"	64.015768
"1237332"	336.229768	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+ACN+Na"	64.015768
"1716376"	336.253293	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+NH4+HCOOH"	64.039293
"1180640"	113.727218	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+3Na"	68.967654
"1651625"	341.208688	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Na+HCOOH"	68.994688
"158488"	621.34704	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+2K-H"	76.91904
"598777"	893.56104	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+2K-H"	76.91904
"1085111"	349.13304	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2K-H"	76.91904
"142774"	311.177158	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"2M+2K"	77.926316
"587691"	447.284158	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"3M+2K"	77.926316
"1073299"	175.070158	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2K"	77.926316
"1107603"	351.147592	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2K+H"	78.933592
"1340707"	351.235207	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+DMSO+H"	79.021207
"1010329"	355.274376	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2ACN+H"	83.060376
"1539838"	356.268008	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+IsoProp+Na+H"	84.054008
"1003654"	178.140826	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+2ACN+2H"	84.067652
"1595971"	357.182628	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+K+HCOOH"	84.968628
"1421629"	387.214138	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+H+CF3COOH"	115.000138
"1150823"	198.654101	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+3ACN+2H"	125.094202
"1706935"	404.240685	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+NH4+CF3COOH"	132.026685
"1638212"	409.19608	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+Na+CF3COOH"	136.98208
"1573861"	425.17002	"C01034"	"3-Oxo-delta5-steroid"	"C19H28O"	"272.214"	"M+K+CF3COOH"	152.95602
"802770"	145.0851	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M"	0
"977765"	126.06671	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-H2O-H"	-19.01839
"66006"	95.716124	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M-3H"	-3.021828
"504475"	144.077824	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M-3H"	-3.021828
"882278"	47.354424	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-3H"	-3.021828
"3040"	144.077824	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M-2H"	-2.014552
"441143"	216.620374	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M-2H"	-2.014552
"818330"	71.535274	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-2H"	-2.014552
"79657"	289.162924	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M-H"	-1.007276
"519215"	434.248024	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M-H"	-1.007276
"896412"	144.077824	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-H"	-1.007276
"49322"	306.189471	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M-2H+NH4"	16.019271
"487683"	451.274571	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M-2H+NH4"	16.019271
"869498"	161.104371	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-2H+NH4"	16.019271
"37401"	311.144866	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M-2H+Na"	20.974666
"476231"	456.229966	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M-2H+Na"	20.974666
"850752"	166.059766	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-2H+Na"	20.974666
"1621744"	166.059766	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Na-2H"	20.974666
"99368"	162.066163	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M-H+Cl"	33.962126
"536376"	234.608713	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M-H+Cl"	33.962126
"937185"	89.523613	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-H+Cl"	33.962126
"279023"	325.139602	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+Cl"	34.969402
"667073"	470.224702	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+Cl"	34.969402
"1280569"	180.054502	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Cl"	34.969402
"23126"	327.118806	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M-2H+K"	36.948606
"465968"	472.203906	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M-2H+K"	36.948606
"838300"	182.033706	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-2H+K"	36.948606
"1568354"	182.033706	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+K-2H"	36.948606
"957698"	190.083294	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-H+HCOOH"	44.998194
"373359"	335.168401	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+HCOOH-H"	44.998201
"348495"	349.184051	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+Hac-H"	59.013851
"1493074"	204.098951	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Hac-H"	59.013851
"960127"	212.065251	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-H+NaCOOH"	66.980151
"113407"	180.054502	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+2Cl"	69.938804
"551507"	252.597052	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+2Cl"	69.938804
"1028692"	107.511952	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2Cl"	69.938804
"1245352"	224.003985	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Br"	78.918885
"1308164"	226.059972	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Cl+HCOOH"	80.974872
"1323839"	248.041929	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Cl+NaCOOH"	102.956829
"912586"	258.070686	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M-H+CF3COOH"	112.985586
"1290512"	294.047364	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Cl+CF3COOH"	148.962264
"1369036"	110.072424	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H-2H2O"	-35.012676
"1384713"	128.0824	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H-H2O"	-17.0027
"285864"	291.177476	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+H"	1.007276
"676952"	436.262576	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+H"	1.007276
"1354641"	146.092376	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H"	1.007276
"131904"	146.092376	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+2H"	2.014552
"578025"	218.634926	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+2H"	2.014552
"1046825"	73.549826	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2H"	2.014552
"214726"	97.730676	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+3H"	3.021828
"658301"	146.092376	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+3H"	3.021828
"1173512"	49.368976	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+3H"	3.021828
"434597"	308.204023	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+NH4"	18.033823
"795593"	453.289123	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+NH4"	18.033823
"1688642"	163.118923	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+NH4"	18.033823
"338015"	154.6056495	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+H+NH4"	19.041099
"730437"	227.1481995	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+H+NH4"	19.041099
"1482070"	82.0630995	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H+NH4"	19.041099
"395283"	313.159418	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+Na"	22.989218
"757368"	458.244518	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+Na"	22.989218
"1603886"	168.074318	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Na"	22.989218
"315505"	157.083347	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+H+Na"	23.996494
"709383"	229.625897	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+H+Na"	23.996494
"1462712"	84.540797	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H+Na"	23.996494
"1053653"	56.69629	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2H+Na"	25.00377
"1258125"	178.118586	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+CH3OH+H"	33.033486
"380710"	329.133358	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+K"	38.963158
"739516"	474.218458	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+K"	38.963158
"1541932"	184.048258	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+K"	38.963158
"298989"	165.070317	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+H+K"	39.970434
"691653"	237.612867	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+H+K"	39.970434
"1446820"	92.527767	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H+K"	39.970434
"236880"	332.204026	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+ACN+H"	42.033826
"1210720"	187.118926	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+ACN+H"	42.033826
"1194925"	94.063101	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+ACN+2H"	43.041102
"189252"	335.14136	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+2Na-H"	44.97116
"635751"	480.22646	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+2Na-H"	44.97116
"1139257"	190.05626	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2Na-H"	44.97116
"183641"	168.074318	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+2Na"	45.978436
"620288"	240.616868	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+2Na"	45.978436
"1122334"	95.531768	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2Na"	45.978436
"1402575"	64.023604	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H+2Na"	46.985712
"1440157"	192.097846	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H+HCOOH"	47.012746
"225477"	173.10734	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+3H2O+2H"	56.04448
"1513540"	206.14989	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+IsoProp+H"	61.06479
"413225"	176.061288	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+Na+K"	61.952376
"781879"	248.603838	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+Na+K"	61.952376
"1677119"	103.518738	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Na+K"	61.952376
"260357"	354.185968	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+ACN+Na"	64.015768
"1236349"	209.100868	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+ACN+Na"	64.015768
"1717579"	209.124393	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+NH4+HCOOH"	64.039293
"1179656"	71.350918	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+3Na"	68.967654
"1650395"	214.079788	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Na+HCOOH"	68.994688
"157987"	367.08924	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+2K-H"	76.91904
"598881"	512.17434	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+2K-H"	76.91904
"1085584"	222.00414	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2K-H"	76.91904
"143491"	184.048258	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"2M+2K"	77.926316
"584522"	256.590808	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"3M+2K"	77.926316
"1069400"	111.505708	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2K"	77.926316
"1107713"	224.018692	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2K+H"	78.933592
"1340817"	224.106307	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+DMSO+H"	79.021207
"1008253"	228.145476	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2ACN+H"	83.060376
"1539862"	229.139108	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+IsoProp+Na+H"	84.054008
"1000484"	114.576376	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+2ACN+2H"	84.067652
"1597174"	230.053728	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+K+HCOOH"	84.968628
"1421739"	260.085238	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+H+CF3COOH"	115.000138
"1149840"	135.089651	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+3ACN+2H"	125.094202
"1703765"	277.111785	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+NH4+CF3COOH"	132.026685
"1638322"	282.06718	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+Na+CF3COOH"	136.98208
"1572878"	298.04112	"C01035"	"4-Guanidinobutanoate;4-Guanidinobutyric acid"	"C5H11N3O2"	"145.0851"	"M+K+CF3COOH"	152.95602
"809807"	200.0321	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M"	0
"977875"	181.01371	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-H2O-H"	-19.01839
"65023"	132.347457333333	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M-3H"	-3.021828
"504585"	199.024824	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M-3H"	-3.021828
"884571"	65.6700906666667	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-3H"	-3.021828
"2057"	199.024824	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M-2H"	-2.014552
"443801"	299.040874	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M-2H"	-2.014552
"819049"	99.008774	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-2H"	-2.014552
"79162"	399.056924	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M-H"	-1.007276
"519331"	599.089024	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M-H"	-1.007276
"895912"	199.024824	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-H"	-1.007276
"47730"	416.083471	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M-2H+NH4"	16.019271
"487422"	616.115571	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M-2H+NH4"	16.019271
"866326"	216.051371	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-2H+NH4"	16.019271
"34593"	421.038866	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M-2H+Na"	20.974666
"477069"	621.070966	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M-2H+Na"	20.974666
"854871"	221.006766	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-2H+Na"	20.974666
"1622582"	221.006766	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Na-2H"	20.974666
"99114"	217.013163	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M-H+Cl"	33.962126
"536850"	317.029213	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M-H+Cl"	33.962126
"935108"	116.997113	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-H+Cl"	33.962126
"276947"	435.033602	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+Cl"	34.969402
"667183"	635.065702	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+Cl"	34.969402
"1277399"	235.001502	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Cl"	34.969402
"21049"	437.012806	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M-2H+K"	36.948606
"464985"	637.044906	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M-2H+K"	36.948606
"837316"	236.980706	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-2H+K"	36.948606
"1565184"	236.980706	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+K-2H"	36.948606
"956347"	245.030294	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-H+HCOOH"	44.998194
"370189"	445.062401	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+HCOOH-H"	44.998201
"350793"	459.078051	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+Hac-H"	59.013851
"1492800"	259.045951	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Hac-H"	59.013851
"961695"	267.012251	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-H+NaCOOH"	66.980151
"113153"	235.001502	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+2Cl"	69.938804
"551982"	335.017552	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+2Cl"	69.938804
"1028802"	134.985452	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2Cl"	69.938804
"1243276"	278.950985	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Br"	78.918885
"1306819"	281.006972	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Cl+HCOOH"	80.974872
"1321763"	302.988929	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Cl+NaCOOH"	102.956829
"911971"	313.017686	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M-H+CF3COOH"	112.985586
"1288795"	348.994364	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Cl+CF3COOH"	148.962264
"1368052"	165.019424	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H-2H2O"	-35.012676
"1383485"	183.0294	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H-H2O"	-17.0027
"289255"	401.071476	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+H"	1.007276
"681682"	601.103576	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+H"	1.007276
"1355844"	201.039376	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H"	1.007276
"133107"	201.039376	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+2H"	2.014552
"577042"	301.055426	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+2H"	2.014552
"1050947"	101.023326	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2H"	2.014552
"217027"	134.362009333333	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+3H"	3.021828
"656588"	201.039376	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+3H"	3.021828
"1167060"	67.6846426666667	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+3H"	3.021828
"432520"	418.098023	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+NH4"	18.033823
"795702"	618.130123	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+NH4"	18.033823
"1688754"	218.065923	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+NH4"	18.033823
"338125"	209.5526495	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+H+NH4"	19.041099
"728362"	309.5686995	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+H+NH4"	19.041099
"1478901"	109.5365995	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H+NH4"	19.041099
"394666"	423.053418	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+Na"	22.989218
"758573"	623.085518	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+Na"	22.989218
"1606674"	223.021318	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Na"	22.989218
"322177"	212.030347	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+H+Na"	23.996494
"711317"	312.046397	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+H+Na"	23.996494
"1465135"	112.014297	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H+Na"	23.996494
"1057287"	75.0119566666667	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2H+Na"	25.00377
"1257870"	233.065586	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+CH3OH+H"	33.033486
"378631"	439.027358	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+K"	38.963158
"740725"	639.059458	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+K"	38.963158
"1540138"	238.995258	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+K"	38.963158
"298976"	220.017317	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+H+K"	39.970434
"692497"	320.033367	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+H+K"	39.970434
"1449482"	120.001267	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H+K"	39.970434
"237718"	442.098026	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+ACN+H"	42.033826
"1211276"	242.065926	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+ACN+H"	42.033826
"1196131"	121.536601	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+ACN+2H"	43.041102
"191190"	445.03536	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+2Na-H"	44.97116
"640235"	645.06746	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+2Na-H"	44.97116
"1139367"	245.00326	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2Na-H"	44.97116
"183752"	223.021318	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+2Na"	45.978436
"620398"	323.037368	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+2Na"	45.978436
"1122445"	123.005268	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2Na"	45.978436
"1408154"	82.3392706666667	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H+2Na"	46.985712
"1439174"	247.044846	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H+HCOOH"	47.012746
"223401"	228.05434	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+3H2O+2H"	56.04448
"1511828"	261.09689	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+IsoProp+H"	61.06479
"412606"	231.008288	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+Na+K"	61.952376
"781989"	331.024338	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+Na+K"	61.952376
"1677958"	130.992238	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Na+K"	61.952376
"258279"	464.079968	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+ACN+Na"	64.015768
"1237190"	264.047868	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+ACN+Na"	64.015768
"1724251"	264.071393	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+NH4+HCOOH"	64.039293
"1187420"	89.6665846666667	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+3Na"	68.967654
"1653305"	269.026788	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Na+HCOOH"	68.994688
"160166"	476.98324	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+2K-H"	76.91904
"599726"	677.01534	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+2K-H"	76.91904
"1086791"	276.95114	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2K-H"	76.91904
"143969"	238.995258	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"2M+2K"	77.926316
"583659"	339.011308	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"3M+2K"	77.926316
"1073519"	138.979208	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2K"	77.926316
"1108916"	278.965692	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2K+H"	78.933592
"1343843"	279.053307	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+DMSO+H"	79.021207
"1013831"	283.092476	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2ACN+H"	83.060376
"1538768"	284.086108	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+IsoProp+Na+H"	84.054008
"999501"	142.049876	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+2ACN+2H"	84.067652
"1598379"	285.000728	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+K+HCOOH"	84.968628
"1421851"	315.032238	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+H+CF3COOH"	115.000138
"1153230"	162.563151	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+3ACN+2H"	125.094202
"1703875"	332.058785	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+NH4+CF3COOH"	132.026685
"1638432"	337.01418	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+Na+CF3COOH"	136.98208
"1572988"	352.98812	"C01036"	"4-Maleylacetoacetate;4-Maleylacetoacetic acid"	"C8H8O6"	"200.0321"	"M+K+CF3COOH"	152.95602
"809917"	188.1525	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M"	0
"977256"	169.13411	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-H2O-H"	-19.01839
"64768"	124.427724	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M-3H"	-3.021828
"504330"	187.145224	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M-3H"	-3.021828
"882859"	61.710224	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-3H"	-3.021828
"2166"	187.145224	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M-2H"	-2.014552
"442818"	281.221474	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M-2H"	-2.014552
"818066"	93.068974	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-2H"	-2.014552
"79517"	375.297724	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M-H"	-1.007276
"519685"	563.450224	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M-H"	-1.007276
"896025"	187.145224	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-H"	-1.007276
"47157"	392.324271	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M-2H+NH4"	16.019271
"487367"	580.476771	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M-2H+NH4"	16.019271
"866434"	204.171771	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-2H+NH4"	16.019271
"35433"	397.279666	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M-2H+Na"	20.974666
"477180"	585.432166	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M-2H+Na"	20.974666
"856075"	209.127166	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-2H+Na"	20.974666
"1624515"	209.127166	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Na-2H"	20.974666
"97033"	205.133563	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M-H+Cl"	33.962126
"542795"	299.209813	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M-H+Cl"	33.962126
"936312"	111.057313	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-H+Cl"	33.962126
"278150"	411.274402	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+Cl"	34.969402
"665106"	599.426902	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+Cl"	34.969402
"1284070"	223.121902	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Cl"	34.969402
"21159"	413.253606	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M-2H+K"	36.948606
"465094"	601.406106	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M-2H+K"	36.948606
"840708"	225.101106	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-2H+K"	36.948606
"1570034"	225.101106	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+K-2H"	36.948606
"958204"	233.150694	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-H+HCOOH"	44.998194
"373580"	421.303201	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+HCOOH-H"	44.998201
"355277"	435.318851	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+Hac-H"	59.013851
"1497548"	247.166351	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Hac-H"	59.013851
"959860"	255.132651	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-H+NaCOOH"	66.980151
"111806"	223.121902	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+2Cl"	69.938804
"554647"	317.198152	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+2Cl"	69.938804
"1022716"	129.045652	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2Cl"	69.938804
"1245576"	267.071385	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Br"	78.918885
"1309847"	269.127372	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Cl+HCOOH"	80.974872
"1319964"	291.109329	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Cl+NaCOOH"	102.956829
"911833"	301.138086	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M-H+CF3COOH"	112.985586
"1288529"	337.114764	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Cl+CF3COOH"	148.962264
"1367555"	153.139824	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H-2H2O"	-35.012676
"1382835"	171.1498	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H-H2O"	-17.0027
"286085"	377.312276	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+H"	1.007276
"687260"	565.464776	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+H"	1.007276
"1361423"	189.159776	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H"	1.007276
"136499"	189.159776	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+2H"	2.014552
"577152"	283.236026	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+2H"	2.014552
"1045952"	95.083526	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2H"	2.014552
"217503"	126.442276	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+3H"	3.021828
"657064"	189.159776	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+3H"	3.021828
"1173732"	63.724776	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+3H"	3.021828
"432630"	394.338823	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+NH4"	18.033823
"790344"	582.491323	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+NH4"	18.033823
"1686675"	206.186323	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+NH4"	18.033823
"338235"	197.6730495	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+H+NH4"	19.041099
"731753"	291.7492995	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+H+NH4"	19.041099
"1481199"	103.5967995	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H+NH4"	19.041099
"399879"	399.294218	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+Na"	22.989218
"760870"	587.446718	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+Na"	22.989218
"1606783"	211.141718	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Na"	22.989218
"323381"	200.150747	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+H+Na"	23.996494
"710335"	294.226997	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+H+Na"	23.996494
"1464152"	106.074497	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H+Na"	23.996494
"1058491"	71.05209	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2H+Na"	25.00377
"1259073"	221.185986	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+CH3OH+H"	33.033486
"378012"	415.268158	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+K"	38.963158
"740835"	603.420658	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+K"	38.963158
"1540249"	227.115658	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+K"	38.963158
"298883"	208.137717	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+H+K"	39.970434
"693214"	302.213967	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+H+K"	39.970434
"1449592"	114.061467	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H+K"	39.970434
"236369"	418.338826	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+ACN+H"	42.033826
"1211265"	230.186326	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+ACN+H"	42.033826
"1194782"	115.596801	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+ACN+2H"	43.041102
"190937"	421.27616	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+2Na-H"	44.97116
"641438"	609.42866	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+2Na-H"	44.97116
"1139477"	233.12366	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2Na-H"	44.97116
"186048"	211.141718	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+2Na"	45.978436
"620142"	305.217968	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+2Na"	45.978436
"1122553"	117.065468	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2Na"	45.978436
"1406076"	78.379404	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H+2Na"	46.985712
"1432358"	235.165246	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H+HCOOH"	47.012746
"223144"	216.17474	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+3H2O+2H"	56.04448
"1511570"	249.21729	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+IsoProp+H"	61.06479
"410526"	219.128688	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+Na+K"	61.952376
"779913"	313.204938	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+Na+K"	61.952376
"1675153"	125.052438	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Na+K"	61.952376
"258389"	440.320768	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+ACN+Na"	64.015768
"1238756"	252.168268	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+ACN+Na"	64.015768
"1718527"	252.191793	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+NH4+HCOOH"	64.039293
"1187530"	85.706718	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+3Na"	68.967654
"1655238"	257.147188	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Na+HCOOH"	68.994688
"163192"	453.22404	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+2K-H"	76.91904
"599836"	641.37654	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+2K-H"	76.91904
"1087630"	265.07154	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2K-H"	76.91904
"145174"	227.115658	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"2M+2K"	77.926316
"584741"	321.191908	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"3M+2K"	77.926316
"1074722"	133.039408	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2K"	77.926316
"1107930"	267.086092	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2K+H"	78.933592
"1345409"	267.173707	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+DMSO+H"	79.021207
"1007743"	271.212876	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2ACN+H"	83.060376
"1538148"	272.206508	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+IsoProp+Na+H"	84.054008
"998518"	136.110076	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+2ACN+2H"	84.067652
"1597396"	273.121128	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+K+HCOOH"	84.968628
"1423054"	303.152638	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+H+CF3COOH"	115.000138
"1156620"	156.623351	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+3ACN+2H"	125.094202
"1703985"	320.179185	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+NH4+CF3COOH"	132.026685
"1638542"	325.13458	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+Na+CF3COOH"	136.98208
"1573462"	341.10852	"C01037"	"78-Diaminononanoate;78-Diaminopelargonic acid;DAPA"	"C9H20N2O2"	"188.1525"	"M+K+CF3COOH"	152.95602
"810027"	178.0477	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M"	0
"978095"	159.02931	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"67430"	117.691190666667	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"505898"	177.040424	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"883698"	58.3419573333333	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"817"	177.040424	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"441834"	266.064274	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"817687"	88.016574	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"79137"	355.088124	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"519792"	533.135824	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"896013"	177.040424	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"47837"	372.114671	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"487477"	550.162371	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"868731"	194.066971	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"36637"	377.070066	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"476197"	555.117766	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"856185"	199.022366	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1622073"	199.022366	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"96778"	195.028763	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"542905"	284.052613	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"936422"	106.004913	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"276073"	391.064802	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"667403"	569.112502	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1283087"	213.017102	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"23456"	393.044006	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"465204"	571.091706	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"840818"	214.996306	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1570509"	214.996306	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"957664"	223.045894	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"375877"	401.093601	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"355387"	415.109251	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1497658"	237.061551	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"960824"	245.027851	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"114104"	213.017102	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"558038"	302.040952	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1025744"	123.993252	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1248602"	256.966585	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1308864"	259.022572	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1321985"	281.004529	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"911497"	291.033286	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1288651"	327.009964	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1367544"	143.035024	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1383947"	161.045	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"288382"	357.102676	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"690287"	535.150376	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1364085"	179.054976	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"136609"	179.054976	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"575075"	268.078826	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1049342"	90.031126	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"216885"	119.705742666667	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"657176"	179.054976	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1176759"	60.3565093333333	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"437114"	374.129223	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"789361"	552.176923	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1691159"	196.081523	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"338345"	187.5682495	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"731861"	276.5920995	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1482401"	98.5443995	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"401082"	379.084618	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"760982"	557.132318	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1607986"	201.036918	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"322397"	190.045947	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"710445"	279.069797	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1465356"	101.022097	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1058601"	67.6838233333333	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1260279"	211.081186	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"378000"	395.058558	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"740945"	573.106258	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1540161"	217.010858	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"298548"	198.032917	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"692596"	287.056767	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1449702"	109.009067	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"239396"	398.129226	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1215386"	220.081526	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1197445"	110.544401	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"192507"	401.06656	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"641548"	579.11426	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1139587"	223.01886	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"186158"	201.036918	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"623532"	290.060768	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1122663"	112.013068	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1405093"	75.0111373333333	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1432104"	225.060446	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"224713"	206.06994	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1510952"	239.11249	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"411368"	209.023888	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"781116"	298.047738	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1675263"	120.000038	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"258499"	420.111168	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1239598"	242.063468	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1718273"	242.086993	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1188734"	82.3384513333333	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1653525"	247.042388	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"160386"	433.01444	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"599580"	611.06214	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1085917"	254.96674	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"146377"	217.010858	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"582785"	306.034708	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1071915"	127.987008	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1099917"	256.981292	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1337864"	257.068907	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1006267"	261.108076	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1525246"	262.101708	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"997527"	131.057676	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1601148"	263.016328	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1422070"	293.047838	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1153450"	151.570951	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1704095"	310.074385	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1638652"	315.02978	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1573572"	331.00372	"C01040"	"L-Gulono-14-lactone;L-Gulono-gamma-lactone;gamma-Gulonolactone;L-Gulonic acid gamma-lactone;L-Gulonolactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"810137"	175.0243	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M"	0
"977112"	156.00591	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-H2O-H"	-19.01839
"64260"	115.675590666667	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M-3H"	-3.021828
"503821"	174.017024	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M-3H"	-3.021828
"881621"	57.3341573333333	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-3H"	-3.021828
"1291"	174.017024	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M-2H"	-2.014552
"441336"	261.529174	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M-2H"	-2.014552
"817587"	86.504874	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-2H"	-2.014552
"78753"	349.041324	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M-H"	-1.007276
"518929"	524.065624	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M-H"	-1.007276
"895879"	174.017024	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-H"	-1.007276
"47823"	366.067871	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M-2H+NH4"	16.019271
"487630"	541.092171	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M-2H+NH4"	16.019271
"866289"	191.043571	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-2H+NH4"	16.019271
"35288"	371.023266	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M-2H+Na"	20.974666
"476307"	546.047566	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M-2H+Na"	20.974666
"856295"	195.998966	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-2H+Na"	20.974666
"1619631"	195.998966	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Na-2H"	20.974666
"96888"	192.005363	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M-H+Cl"	33.962126
"543015"	279.517513	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M-H+Cl"	33.962126
"936532"	104.493213	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-H+Cl"	33.962126
"275090"	385.018002	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+Cl"	34.969402
"669700"	560.042302	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+Cl"	34.969402
"1283197"	209.993702	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Cl"	34.969402
"23566"	386.997206	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M-2H+K"	36.948606
"460940"	562.021506	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M-2H+K"	36.948606
"834731"	211.972906	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-2H+K"	36.948606
"1570255"	211.972906	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+K-2H"	36.948606
"954490"	220.022494	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-H+HCOOH"	44.998194
"367238"	395.046801	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+HCOOH-H"	44.998201
"350030"	409.062451	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+Hac-H"	59.013851
"1497767"	234.038151	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Hac-H"	59.013851
"959960"	242.004451	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-H+NaCOOH"	66.980151
"111297"	209.993702	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+2Cl"	69.938804
"552681"	297.505852	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+2Cl"	69.938804
"1024031"	122.481552	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2Cl"	69.938804
"1245432"	253.943185	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Br"	78.918885
"1310067"	255.999172	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Cl+HCOOH"	80.974872
"1320068"	277.981129	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Cl+NaCOOH"	102.956829
"911455"	288.009886	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M-H+CF3COOH"	112.985586
"1288513"	323.986564	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Cl+CF3COOH"	148.962264
"1368381"	140.011624	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H-2H2O"	-35.012676
"1383691"	158.0216	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H-H2O"	-17.0027
"292866"	351.055876	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+H"	1.007276
"690640"	526.080176	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+H"	1.007276
"1364923"	176.031576	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H"	1.007276
"136719"	176.031576	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+2H"	2.014552
"575185"	263.543726	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+2H"	2.014552
"1049452"	88.519426	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2H"	2.014552
"217359"	117.690142666667	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+3H"	3.021828
"658381"	176.031576	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+3H"	3.021828
"1176140"	59.3487093333333	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+3H"	3.021828
"436495"	368.082423	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+NH4"	18.033823
"789471"	543.106723	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+NH4"	18.033823
"1690176"	193.058123	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+NH4"	18.033823
"338455"	184.5448495	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+H+NH4"	19.041099
"729784"	272.0569995	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+H+NH4"	19.041099
"1484698"	97.0326995	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H+NH4"	19.041099
"400098"	373.037818	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+Na"	22.989218
"763279"	548.062118	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+Na"	22.989218
"1612470"	198.013518	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Na"	22.989218
"322507"	187.022547	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+H+Na"	23.996494
"712742"	274.534697	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+H+Na"	23.996494
"1465466"	99.510397	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H+Na"	23.996494
"1058711"	66.6760233333333	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2H+Na"	25.00377
"1262576"	208.057786	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+CH3OH+H"	33.033486
"380057"	389.011758	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+K"	38.963158
"739962"	564.036058	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+K"	38.963158
"1540556"	213.987458	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+K"	38.963158
"298643"	195.009517	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+H+K"	39.970434
"691693"	282.521667	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+H+K"	39.970434
"1445798"	107.497367	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H+K"	39.970434
"238411"	392.082426	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+ACN+H"	42.033826
"1215496"	217.058126	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+ACN+H"	42.033826
"1198648"	109.032701	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+ACN+2H"	43.041102
"191524"	395.01976	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+2Na-H"	44.97116
"641658"	570.04406	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+2Na-H"	44.97116
"1138604"	219.99546	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2Na-H"	44.97116
"180801"	198.013518	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+2Na"	45.978436
"623642"	285.525668	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+2Na"	45.978436
"1122773"	110.501368	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2Na"	45.978436
"1405203"	74.0033373333333	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H+2Na"	46.985712
"1433671"	222.037046	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H+HCOOH"	47.012746
"223730"	203.04654	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+3H2O+2H"	56.04448
"1511790"	236.08909	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+IsoProp+H"	61.06479
"410385"	206.000488	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+Na+K"	61.952376
"773568"	293.512638	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+Na+K"	61.952376
"1669171"	118.488338	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Na+K"	61.952376
"255693"	414.064368	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+ACN+Na"	64.015768
"1228034"	239.040068	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+ACN+Na"	64.015768
"1718014"	239.063593	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+NH4+HCOOH"	64.039293
"1184102"	81.3306513333333	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+3Na"	68.967654
"1656183"	244.018988	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Na+HCOOH"	68.994688
"161950"	426.96764	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+2K-H"	76.91904
"602239"	601.99194	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+2K-H"	76.91904
"1085663"	251.94334	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2K-H"	76.91904
"145395"	213.987458	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"2M+2K"	77.926316
"586054"	301.499608	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"3M+2K"	77.926316
"1068743"	126.475308	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2K"	77.926316
"1099958"	253.957892	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2K+H"	78.933592
"1341255"	254.045507	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+DMSO+H"	79.021207
"1007597"	258.084676	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2ACN+H"	83.060376
"1525721"	259.078308	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+IsoProp+Na+H"	84.054008
"997637"	129.545976	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+2ACN+2H"	84.067652
"1593234"	259.992928	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+K+HCOOH"	84.968628
"1426552"	290.024438	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+H+CF3COOH"	115.000138
"1150280"	150.059251	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+3ACN+2H"	125.094202
"1700925"	307.050985	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+NH4+CF3COOH"	132.026685
"1638762"	312.00638	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+Na+CF3COOH"	136.98208
"1574775"	327.98032	"C01041"	"Monodehydroascorbate;Monodehydroascorbate radical;Ascorbate radical;Semidehydroascorbic acid"	"C6H7O6"	"175.0243"	"M+K+CF3COOH"	152.95602
"813527"	175.0481	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M"	0
"987063"	156.02971	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-H2O-H"	-19.01839
"65827"	115.691457333333	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M-3H"	-3.021828
"509401"	174.040824	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M-3H"	-3.021828
"885012"	57.3420906666667	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-3H"	-3.021828
"5775"	174.040824	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M-2H"	-2.014552
"444243"	261.564874	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M-2H"	-2.014552
"819491"	86.516774	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-2H"	-2.014552
"79968"	349.088924	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M-H"	-1.007276
"519163"	524.137024	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M-H"	-1.007276
"897575"	174.040824	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-H"	-1.007276
"48177"	366.115471	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M-2H+NH4"	16.019271
"487622"	541.163571	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M-2H+NH4"	16.019271
"864692"	191.067371	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-2H+NH4"	16.019271
"36854"	371.070866	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M-2H+Na"	20.974666
"475321"	546.118966	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M-2H+Na"	20.974666
"854217"	196.022766	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-2H+Na"	20.974666
"1621929"	196.022766	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Na-2H"	20.974666
"101738"	192.029163	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M-H+Cl"	33.962126
"546407"	279.553213	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M-H+Cl"	33.962126
"938830"	104.505113	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-H+Cl"	33.962126
"279574"	385.065602	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+Cl"	34.969402
"673215"	560.113702	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+Cl"	34.969402
"1286833"	210.017502	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Cl"	34.969402
"25864"	387.044806	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M-2H+K"	36.948606
"467614"	562.092906	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M-2H+K"	36.948606
"841037"	211.996706	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-2H+K"	36.948606
"1570490"	211.996706	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+K-2H"	36.948606
"956789"	220.046294	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-H+HCOOH"	44.998194
"376874"	395.094401	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+HCOOH-H"	44.998201
"359618"	409.110051	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+Hac-H"	59.013851
"1505898"	234.061951	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Hac-H"	59.013851
"965419"	242.028251	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-H+NaCOOH"	66.980151
"115417"	210.017502	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+2Cl"	69.938804
"558258"	297.541552	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+2Cl"	69.938804
"1029245"	122.493452	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2Cl"	69.938804
"1249916"	253.966985	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Br"	78.918885
"1315643"	256.022972	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Cl+HCOOH"	80.974872
"1325850"	278.004929	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Cl+NaCOOH"	102.956829
"914358"	288.033686	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M-H+CF3COOH"	112.985586
"1289969"	324.010364	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Cl+CF3COOH"	148.962264
"1371413"	140.035424	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H-2H2O"	-35.012676
"1383684"	158.0454	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H-H2O"	-17.0027
"291882"	351.103476	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+H"	1.007276
"688683"	526.151576	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+H"	1.007276
"1366735"	176.055376	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H"	1.007276
"140113"	176.055376	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+2H"	2.014552
"577483"	263.579426	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+2H"	2.014552
"1050663"	88.531326	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2H"	2.014552
"217833"	117.706009333333	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+3H"	3.021828
"658248"	176.055376	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+3H"	3.021828
"1176739"	59.3566426666667	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+3H"	3.021828
"432961"	368.130023	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+NH4"	18.033823
"797966"	543.178123	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+NH4"	18.033823
"1688099"	193.081923	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+NH4"	18.033823
"342939"	184.5686495	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+H+NH4"	19.041099
"734269"	272.0926995	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+H+NH4"	19.041099
"1485903"	97.0445995	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H+NH4"	19.041099
"402031"	373.085418	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+Na"	22.989218
"766670"	548.133518	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+Na"	22.989218
"1611486"	198.037318	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Na"	22.989218
"323710"	187.046347	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+H+Na"	23.996494
"719049"	274.570397	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+H+Na"	23.996494
"1473232"	99.522297	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H+Na"	23.996494
"1062104"	66.6839566666667	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2H+Na"	25.00377
"1265970"	208.081586	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+CH3OH+H"	33.033486
"383449"	389.059358	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+K"	38.963158
"743354"	564.107458	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+K"	38.963158
"1542489"	214.011258	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+K"	38.963158
"298932"	195.033317	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+H+K"	39.970434
"693185"	282.557367	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+H+K"	39.970434
"1449921"	107.509267	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H+K"	39.970434
"239253"	392.130026	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+ACN+H"	42.033826
"1211599"	217.081926	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+ACN+H"	42.033826
"1198760"	109.044601	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+ACN+2H"	43.041102
"191995"	395.06736	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+2Na-H"	44.97116
"631924"	570.11546	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+2Na-H"	44.97116
"1135433"	220.01926	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2Na-H"	44.97116
"184191"	198.037318	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+2Na"	45.978436
"617191"	285.561368	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+2Na"	45.978436
"1118506"	110.513268	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2Na"	45.978436
"1402396"	74.0112706666667	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H+2Na"	46.985712
"1433416"	222.060846	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H+HCOOH"	47.012746
"222019"	203.07034	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+3H2O+2H"	56.04448
"1510808"	236.11289	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+IsoProp+H"	61.06479
"410496"	206.024288	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+Na+K"	61.952376
"776961"	293.548338	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+Na+K"	61.952376
"1673657"	118.500238	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Na+K"	61.952376
"259815"	414.111968	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+ACN+Na"	64.015768
"1233982"	239.063868	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+ACN+Na"	64.015768
"1721409"	239.087393	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+NH4+HCOOH"	64.039293
"1184212"	81.3385846666667	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+3Na"	68.967654
"1657021"	244.042788	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Na+HCOOH"	68.994688
"162060"	427.01524	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+2K-H"	76.91904
"600892"	602.06334	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+2K-H"	76.91904
"1093066"	251.96714	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2K-H"	76.91904
"144413"	214.011258	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"2M+2K"	77.926316
"591634"	301.535308	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"3M+2K"	77.926316
"1071771"	126.487208	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2K"	77.926316
"1100843"	253.981692	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2K+H"	78.933592
"1341364"	254.069307	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+DMSO+H"	79.021207
"1007707"	258.108476	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2ACN+H"	83.060376
"1528019"	259.102108	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+IsoProp+Na+H"	84.054008
"997748"	129.557876	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+2ACN+2H"	84.067652
"1594437"	260.016728	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+K+HCOOH"	84.968628
"1427755"	290.048238	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+H+CF3COOH"	115.000138
"1153670"	150.071151	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+3ACN+2H"	125.094202
"1704315"	307.074785	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+NH4+CF3COOH"	132.026685
"1638872"	312.03018	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+Na+CF3COOH"	136.98208
"1574521"	328.00412	"C01042"	"N-Acetyl-L-aspartate;N-Acetyl-L-aspartic acid"	"C6H9NO5"	"175.0481"	"M+K+CF3COOH"	152.95602
"810357"	132.0535	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M"	0
"977332"	113.03511	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"67760"	87.0283906666667	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"505135"	131.046224	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"882206"	43.0105573333333	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"2604"	131.046224	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"440461"	197.072974	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"817534"	65.019474	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"79348"	263.099724	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"521339"	395.153224	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"896219"	131.046224	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"47590"	280.126271	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"488580"	412.179771	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"864792"	148.072771	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"36965"	285.081666	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"478712"	417.135166	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"854327"	153.028166	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1623132"	153.028166	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"101484"	149.034563	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"545424"	215.061313	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"935659"	83.007813	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"279684"	299.076402	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"673930"	431.129902	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1284510"	167.022902	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"25974"	301.055606	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"470277"	433.109106	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"843336"	169.002106	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1570114"	169.002106	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"955806"	177.051694	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"375482"	309.105201	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"358998"	323.120851	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1495802"	191.067351	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"963341"	199.033651	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"119902"	167.022902	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"560556"	233.049652	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1031541"	100.996152	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1254400"	210.972385	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1316848"	213.028372	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1322317"	235.010329	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"911829"	245.039086	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1289716"	281.015764	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1371523"	97.040824	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1383549"	115.0508	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"294179"	265.114276	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"685510"	397.167776	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1358580"	133.060776	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"133656"	133.060776	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"577593"	199.087526	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1046392"	67.034026	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"214292"	89.0429426666667	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"658606"	133.060776	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1176241"	45.0251093333333	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"433071"	282.140823	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"798440"	414.194323	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1694405"	150.087323	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"344873"	141.5740495	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"734378"	207.6007995	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1489293"	75.5472995	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"404692"	287.096218	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"764593"	419.149718	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1613783"	155.042718	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"323820"	144.051747	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"718430"	210.078497	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1475529"	78.024997	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1064400"	52.3524233333333	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1268266"	165.086986	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"383559"	303.070158	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"741638"	435.123658	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1542598"	171.016658	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"299412"	152.038717	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"693659"	218.065467	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1449302"	86.011967	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"238999"	306.140826	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1211342"	174.087326	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1199600"	87.547301	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"191741"	309.07816	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"636409"	441.13166	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1134811"	177.02466	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"185395"	155.042718	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"619488"	221.069468	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1121899"	89.015968	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1408703"	59.6797373333333	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1437538"	179.066246	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"223954"	160.07574	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1510920"	193.11829	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"410606"	163.029688	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"780352"	229.056438	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1676685"	97.002938	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"259924"	328.122768	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1234822"	196.069268	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1721883"	196.092793	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1184322"	67.0070513333333	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1657495"	201.048188	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"163629"	341.02604	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"603554"	473.07954	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1090989"	208.97254	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"143429"	171.016658	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"591744"	237.043408	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1075161"	104.989908	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1101320"	210.987092	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1340381"	211.074707	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1010003"	215.113876	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1528129"	216.107508	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"997858"	108.060576	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1593453"	217.022128	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1428597"	247.053638	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1162042"	128.573851	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1704426"	264.080185	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1642263"	269.03558	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1574632"	285.00952	"C01043"	"N-Carbamoylsarcosine"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"810467"	161.0324	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M"	0
"980722"	142.01401	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-H2O-H"	-19.01839
"68964"	106.347657333333	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M-3H"	-3.021828
"504153"	160.025124	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M-3H"	-3.021828
"884140"	52.6701906666667	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-3H"	-3.021828
"4902"	160.025124	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M-2H"	-2.014552
"442640"	240.541324	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M-2H"	-2.014552
"818616"	79.508924	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-2H"	-2.014552
"80430"	321.057524	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M-H"	-1.007276
"523272"	482.089924	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M-H"	-1.007276
"895878"	160.025124	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-H"	-1.007276
"47544"	338.084071	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M-2H+NH4"	16.019271
"488203"	499.116471	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M-2H+NH4"	16.019271
"864781"	177.051671	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-2H+NH4"	16.019271
"37075"	343.039466	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M-2H+Na"	20.974666
"476635"	504.071866	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M-2H+Na"	20.974666
"857717"	182.007066	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-2H+Na"	20.974666
"1623242"	182.007066	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Na-2H"	20.974666
"101594"	178.013463	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M-H+Cl"	33.962126
"544438"	258.529663	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M-H+Cl"	33.962126
"935768"	97.497263	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-H+Cl"	33.962126
"278699"	357.034202	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+Cl"	34.969402
"670029"	518.066602	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+Cl"	34.969402
"1287296"	196.001802	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Cl"	34.969402
"28271"	359.013406	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M-2H+K"	36.948606
"470022"	520.045806	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M-2H+K"	36.948606
"846362"	197.981006	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-2H+K"	36.948606
"1570712"	197.981006	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+K-2H"	36.948606
"958068"	206.030594	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-H+HCOOH"	44.998194
"376730"	367.063001	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+HCOOH-H"	44.998201
"361343"	381.078651	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+Hac-H"	59.013851
"1498463"	220.046251	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Hac-H"	59.013851
"967825"	228.012551	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-H+NaCOOH"	66.980151
"125242"	196.001802	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+2Cl"	69.938804
"560666"	276.518002	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+2Cl"	69.938804
"1031651"	115.485602	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2Cl"	69.938804
"1254510"	239.951285	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Br"	78.918885
"1313678"	242.007272	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Cl+HCOOH"	80.974872
"1322427"	263.989229	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Cl+NaCOOH"	102.956829
"912027"	274.017986	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M-H+CF3COOH"	112.985586
"1289582"	309.994664	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Cl+CF3COOH"	148.962264
"1371633"	126.019724	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H-2H2O"	-35.012676
"1383778"	144.0297	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H-H2O"	-17.0027
"294289"	323.072076	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+H"	1.007276
"688172"	484.104476	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+H"	1.007276
"1364157"	162.039676	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H"	1.007276
"137046"	162.039676	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+2H"	2.014552
"580255"	242.555876	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+2H"	2.014552
"1049782"	81.523476	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2H"	2.014552
"213308"	108.362209333333	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+3H"	3.021828
"659731"	162.039676	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+3H"	3.021828
"1177811"	54.6847426666667	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+3H"	3.021828
"436097"	340.098623	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+NH4"	18.033823
"800010"	501.131023	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+NH4"	18.033823
"1695245"	179.066223	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+NH4"	18.033823
"345553"	170.5529495	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+H+NH4"	19.041099
"736677"	251.0691495	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+H+NH4"	19.041099
"1490499"	90.0367495	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H+NH4"	19.041099
"408460"	345.054018	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+Na"	22.989218
"767620"	506.086418	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+Na"	22.989218
"1617419"	184.021618	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Na"	22.989218
"327944"	173.030647	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+H+Na"	23.996494
"719637"	253.546847	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+H+Na"	23.996494
"1474551"	92.514447	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H+Na"	23.996494
"1064510"	62.0120566666667	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2H+Na"	25.00377
"1271292"	194.065886	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+CH3OH+H"	33.033486
"384765"	361.027958	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+K"	38.963158
"745758"	522.060358	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+K"	38.963158
"1545624"	199.995558	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+K"	38.963158
"299641"	181.017617	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+H+K"	39.970434
"692179"	261.533817	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+H+K"	39.970434
"1451235"	100.501417	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H+K"	39.970434
"242025"	364.098626	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+ACN+H"	42.033826
"1211819"	203.066226	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+ACN+H"	42.033826
"1201897"	102.036751	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+ACN+2H"	43.041102
"191488"	367.03596	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+2Na-H"	44.97116
"638706"	528.06836	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+2Na-H"	44.97116
"1135653"	206.00356	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2Na-H"	44.97116
"180037"	184.021618	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+2Na"	45.978436
"619598"	264.537818	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+2Na"	45.978436
"1125289"	103.505418	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2Na"	45.978436
"1408813"	69.3393706666667	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H+2Na"	46.985712
"1437648"	208.045146	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H+HCOOH"	47.012746
"224064"	189.05464	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+3H2O+2H"	56.04448
"1509813"	222.09719	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+IsoProp+H"	61.06479
"410230"	192.008588	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+Na+K"	61.952376
"781556"	272.524788	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+Na+K"	61.952376
"1675702"	111.492388	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Na+K"	61.952376
"260034"	386.080568	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+ACN+Na"	64.015768
"1233839"	225.048168	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+ACN+Na"	64.015768
"1720536"	225.071693	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+NH4+HCOOH"	64.039293
"1182244"	76.6666846666667	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+3Na"	68.967654
"1656877"	230.027088	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Na+HCOOH"	68.994688
"158999"	398.98384	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+2K-H"	76.91904
"602569"	560.01624	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+2K-H"	76.91904
"1090005"	237.95144	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2K-H"	76.91904
"145727"	199.995558	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"2M+2K"	77.926316
"593677"	280.511758	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"3M+2K"	77.926316
"1077457"	119.479358	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2K"	77.926316
"1104105"	239.965992	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2K+H"	78.933592
"1344865"	240.053607	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+DMSO+H"	79.021207
"1011207"	244.092776	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2ACN+H"	83.060376
"1531520"	245.086408	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+IsoProp+Na+H"	84.054008
"1003435"	122.550026	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+2ACN+2H"	84.067652
"1595751"	246.001028	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+K+HCOOH"	84.968628
"1428946"	276.032538	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+H+CF3COOH"	115.000138
"1162395"	143.063301	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+3ACN+2H"	125.094202
"1704536"	293.059085	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+NH4+CF3COOH"	132.026685
"1642373"	298.01448	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+Na+CF3COOH"	136.98208
"1575835"	313.98842	"C01044"	"N-Formyl-L-aspartate"	"C5H7NO5"	"161.0324"	"M+K+CF3COOH"	152.95602
"807300"	175.0481	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M"	0
"984115"	156.02971	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-H2O-H"	-19.01839
"70169"	115.691457333333	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M-3H"	-3.021828
"513011"	174.040824	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M-3H"	-3.021828
"884251"	57.3420906666667	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-3H"	-3.021828
"3189"	174.040824	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M-2H"	-2.014552
"443843"	261.564874	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M-2H"	-2.014552
"820914"	86.516774	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-2H"	-2.014552
"79812"	349.088924	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M-H"	-1.007276
"519737"	524.137024	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M-H"	-1.007276
"895718"	174.040824	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-H"	-1.007276
"49001"	366.115471	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M-2H+NH4"	16.019271
"488074"	541.163571	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M-2H+NH4"	16.019271
"866727"	191.067371	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-2H+NH4"	16.019271
"37185"	371.070866	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M-2H+Na"	20.974666
"477840"	546.118966	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M-2H+Na"	20.974666
"855643"	196.022766	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-2H+Na"	20.974666
"1626271"	196.022766	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Na-2H"	20.974666
"106081"	192.029163	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M-H+Cl"	33.962126
"544551"	279.553213	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M-H+Cl"	33.962126
"942487"	104.505113	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-H+Cl"	33.962126
"281973"	385.065602	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+Cl"	34.969402
"675453"	560.113702	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+Cl"	34.969402
"1286679"	210.017502	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Cl"	34.969402
"31381"	387.044806	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M-2H+K"	36.948606
"471314"	562.092906	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M-2H+K"	36.948606
"848481"	211.996706	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-2H+K"	36.948606
"1571193"	211.996706	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+K-2H"	36.948606
"958257"	220.046294	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-H+HCOOH"	44.998194
"376995"	395.094401	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+HCOOH-H"	44.998201
"352657"	409.110051	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+Hac-H"	59.013851
"1508270"	234.061951	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Hac-H"	59.013851
"972308"	242.028251	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-H+NaCOOH"	66.980151
"124497"	210.017502	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+2Cl"	69.938804
"564057"	297.541552	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+2Cl"	69.938804
"1035044"	122.493452	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2Cl"	69.938804
"1253528"	253.966985	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Br"	78.918885
"1311603"	256.022972	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Cl+HCOOH"	80.974872
"1334563"	278.004929	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Cl+NaCOOH"	102.956829
"923435"	288.033686	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M-H+CF3COOH"	112.985586
"1290667"	324.010364	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Cl+CF3COOH"	148.962264
"1378312"	140.035424	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H-2H2O"	-35.012676
"1388156"	158.0454	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H-H2O"	-17.0027
"292217"	351.103476	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+H"	1.007276
"685731"	526.151576	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+H"	1.007276
"1365003"	176.055376	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H"	1.007276
"139715"	176.055376	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+2H"	2.014552
"577814"	263.579426	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+2H"	2.014552
"1050994"	88.531326	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2H"	2.014552
"218412"	117.706009333333	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+3H"	3.021828
"658457"	176.055376	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+3H"	3.021828
"1177798"	59.3566426666667	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+3H"	3.021828
"439245"	368.130023	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+NH4"	18.033823
"801055"	543.178123	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+NH4"	18.033823
"1695721"	193.081923	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+NH4"	18.033823
"345096"	184.5686495	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+H+NH4"	19.041099
"737881"	272.0926995	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+H+NH4"	19.041099
"1491702"	97.0445995	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H+NH4"	19.041099
"406735"	373.085418	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+Na"	22.989218
"769396"	548.133518	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+Na"	22.989218
"1616923"	198.037318	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Na"	22.989218
"328417"	187.046347	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+H+Na"	23.996494
"718653"	274.570397	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+H+Na"	23.996494
"1476117"	99.522297	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H+Na"	23.996494
"1062434"	66.6839566666667	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2H+Na"	25.00377
"1269579"	208.081586	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+CH3OH+H"	33.033486
"381594"	389.059358	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+K"	38.963158
"739428"	564.107458	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+K"	38.963158
"1540999"	214.011258	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+K"	38.963158
"301822"	195.033317	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+H+K"	39.970434
"694972"	282.557367	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+H+K"	39.970434
"1449523"	107.509267	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H+K"	39.970434
"242134"	392.130026	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+ACN+H"	42.033826
"1211562"	217.081926	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+ACN+H"	42.033826
"1198729"	109.044601	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+ACN+2H"	43.041102
"190867"	395.06736	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+2Na-H"	44.97116
"634442"	570.11546	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+2Na-H"	44.97116
"1145605"	220.01926	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2Na-H"	44.97116
"184522"	198.037318	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+2Na"	45.978436
"626270"	285.561368	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+2Na"	45.978436
"1129776"	110.513268	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2Na"	45.978436
"1413830"	74.0112706666667	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H+2Na"	46.985712
"1444321"	222.060846	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H+HCOOH"	47.012746
"231829"	203.07034	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+3H2O+2H"	56.04448
"1519891"	236.11289	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+IsoProp+H"	61.06479
"423711"	206.024288	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+Na+K"	61.952376
"779481"	293.548338	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+Na+K"	61.952376
"1674718"	118.500238	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Na+K"	61.952376
"257591"	414.111968	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+ACN+Na"	64.015768
"1233944"	239.063868	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+ACN+Na"	64.015768
"1723931"	239.087393	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+NH4+HCOOH"	64.039293
"1189284"	81.3385846666667	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+3Na"	68.967654
"1656988"	244.042788	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Na+HCOOH"	68.994688
"162762"	427.01524	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+2K-H"	76.91904
"605605"	602.06334	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+2K-H"	76.91904
"1099768"	251.96714	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2K-H"	76.91904
"156825"	214.011258	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"2M+2K"	77.926316
"590869"	301.535308	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"3M+2K"	77.926316
"1079755"	126.487208	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2K"	77.926316
"1111871"	253.981692	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2K+H"	78.933592
"1350812"	254.069307	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+DMSO+H"	79.021207
"1019826"	258.108476	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2ACN+H"	83.060376
"1539613"	259.102108	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+IsoProp+Na+H"	84.054008
"996986"	129.557876	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+2ACN+2H"	84.067652
"1596957"	260.016728	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+K+HCOOH"	84.968628
"1425897"	290.048238	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+H+CF3COOH"	115.000138
"1162465"	150.071151	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+3ACN+2H"	125.094202
"1711204"	307.074785	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+NH4+CF3COOH"	132.026685
"1642483"	312.03018	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+Na+CF3COOH"	136.98208
"1575945"	328.00412	"C01045"	"N-Formyl-L-glutamate"	"C6H9NO5"	"175.0481"	"M+K+CF3COOH"	152.95602
"810687"	161.0688	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M"	0
"980943"	142.05041	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"65904"	106.371924	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"507651"	160.061524	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"884360"	52.682324	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"1839"	160.061524	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"444682"	240.595924	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"820296"	79.527124	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"80286"	321.130324	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"519240"	482.199124	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"895680"	160.061524	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"47281"	338.156871	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"487250"	499.225671	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"864216"	177.088071	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"31777"	343.112266	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"471992"	504.181066	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"850282"	182.043466	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1620548"	182.043466	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"99628"	178.049863	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"534813"	258.584263	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"929788"	97.515463	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"280014"	357.107002	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"672435"	518.175802	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1286545"	196.038202	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"30450"	359.086206	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"471369"	520.155006	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"848425"	198.017406	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1571283"	198.017406	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"958421"	206.066994	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"377084"	367.135801	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"353131"	381.151451	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1507555"	220.082651	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"973150"	228.048951	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"123515"	196.038202	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"563803"	276.572602	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1036614"	115.503802	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1253638"	239.987685	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1312806"	242.043672	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1333580"	264.025629	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"921358"	274.054386	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1290777"	310.031064	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1375141"	126.056124	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1388266"	144.0661	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"292327"	323.144876	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"685841"	484.213676	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1366205"	162.076076	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"139460"	162.076076	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"579383"	242.610476	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1051102"	81.541676	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"217913"	108.386476	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"659055"	162.076076	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1175595"	54.696876	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"438870"	340.171423	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"799499"	501.240223	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1694373"	179.102623	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"342652"	170.5893495	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"735803"	251.1237495	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1489989"	90.0549495	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"406847"	345.126818	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"768206"	506.195618	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1616304"	184.058018	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"327435"	173.067047	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"719130"	253.601447	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1470392"	92.532647	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1057077"	62.02419	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1264222"	194.102286	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"379882"	361.100758	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"739541"	522.169558	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1540255"	200.031958	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"301932"	181.054017	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"695082"	261.588417	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1448174"	100.519617	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"238964"	364.171426	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1211307"	203.102626	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1197744"	102.054951	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"188911"	367.10876	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"634916"	528.17756	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1145473"	206.03996	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"184631"	184.058018	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"626380"	264.592418	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1129886"	103.523618	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1412315"	69.351504	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1442243"	208.081546	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"227564"	189.09104	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1513440"	222.13359	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"421877"	192.044988	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"775219"	272.579388	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1671549"	111.510588	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"255514"	386.153368	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1230774"	225.084568	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1720761"	225.108093	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1188301"	76.678818	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1657098"	230.063488	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"162872"	399.05664	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"604622"	560.12544	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1099763"	237.98784	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"157033"	200.031958	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"590979"	280.566358	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1078772"	119.497558	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1110888"	240.002392	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1349949"	240.090007	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1021113"	244.129176	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1538913"	245.122808	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"997096"	122.568226	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1597067"	246.037428	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1426007"	276.068938	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1160671"	143.081501	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1711314"	293.095485	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1642593"	298.05088	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1574962"	314.02482	"C01046"	"N-Methyl-L-glutamate;N-Methyl-L-glutamic acid"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"810797"	174.1004	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M"	0
"981053"	155.08201	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-H2O-H"	-19.01839
"66014"	115.059657333333	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M-3H"	-3.021828
"506668"	173.093124	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M-3H"	-3.021828
"885563"	57.0261906666667	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-3H"	-3.021828
"4135"	173.093124	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M-2H"	-2.014552
"442239"	260.143324	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M-2H"	-2.014552
"822592"	86.042924	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-2H"	-2.014552
"81490"	347.193524	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M-H"	-1.007276
"519591"	521.293924	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M-H"	-1.007276
"896162"	173.093124	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-H"	-1.007276
"47638"	364.220071	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M-2H+NH4"	16.019271
"487228"	538.320471	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M-2H+NH4"	16.019271
"864741"	190.119671	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-2H+NH4"	16.019271
"32296"	369.175466	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M-2H+Na"	20.974666
"473681"	543.275866	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M-2H+Na"	20.974666
"850755"	195.075066	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-2H+Na"	20.974666
"1620291"	195.075066	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Na-2H"	20.974666
"97185"	191.081463	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M-H+Cl"	33.962126
"535281"	278.131663	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M-H+Cl"	33.962126
"929898"	104.031263	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-H+Cl"	33.962126
"274655"	383.170202	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+Cl"	34.969402
"662704"	557.270602	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+Cl"	34.969402
"1286411"	209.069802	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Cl"	34.969402
"31041"	385.149406	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M-2H+K"	36.948606
"471210"	559.249806	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M-2H+K"	36.948606
"848391"	211.049006	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-2H+K"	36.948606
"1570924"	211.049006	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+K-2H"	36.948606
"957345"	219.098594	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-H+HCOOH"	44.998194
"376899"	393.199001	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+HCOOH-H"	44.998201
"351784"	407.214651	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+Hac-H"	59.013851
"1507664"	233.114251	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Hac-H"	59.013851
"970342"	241.080551	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-H+NaCOOH"	66.980151
"122530"	209.069802	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+2Cl"	69.938804
"559903"	296.120002	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+2Cl"	69.938804
"1033805"	122.019602	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2Cl"	69.938804
"1247187"	253.019285	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Br"	78.918885
"1309636"	255.075272	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Cl+HCOOH"	80.974872
"1334541"	277.057229	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Cl+NaCOOH"	102.956829
"921468"	287.085986	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M-H+CF3COOH"	112.985586
"1290886"	323.062664	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Cl+CF3COOH"	148.962264
"1371971"	139.087724	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H-2H2O"	-35.012676
"1388375"	157.0977	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H-H2O"	-17.0027
"292437"	349.208076	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+H"	1.007276
"685951"	523.308476	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+H"	1.007276
"1365225"	175.107676	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H"	1.007276
"137380"	175.107676	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+2H"	2.014552
"578034"	262.157876	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+2H"	2.014552
"1051578"	88.057476	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2H"	2.014552
"217659"	117.074209333333	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+3H"	3.021828
"658314"	175.107676	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+3H"	3.021828
"1174611"	59.0407426666667	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+3H"	3.021828
"438613"	366.234623	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+NH4"	18.033823
"799970"	540.335023	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+NH4"	18.033823
"1688649"	192.134223	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+NH4"	18.033823
"338023"	183.6209495	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+H+NH4"	19.041099
"728258"	270.6711495	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+H+NH4"	19.041099
"1486452"	96.5707495	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H+NH4"	19.041099
"399664"	371.190018	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+Na"	22.989218
"761753"	545.290418	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+Na"	22.989218
"1614954"	197.089618	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Na"	22.989218
"325355"	186.098647	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+H+Na"	23.996494
"715588"	273.148847	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+H+Na"	23.996494
"1469408"	99.048447	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H+Na"	23.996494
"1055726"	66.3680566666667	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2H+Na"	25.00377
"1259957"	207.133886	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+CH3OH+H"	33.033486
"377799"	387.163958	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+K"	38.963158
"739405"	561.264358	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+K"	38.963158
"1540363"	213.063558	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+K"	38.963158
"299850"	194.085617	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+H+K"	39.970434
"692149"	281.135817	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+H+K"	39.970434
"1446096"	107.035417	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H+K"	39.970434
"236190"	390.234626	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+ACN+H"	42.033826
"1210477"	216.134226	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+ACN+H"	42.033826
"1194691"	108.570751	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+ACN+2H"	43.041102
"189992"	393.17196	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+2Na-H"	44.97116
"630287"	567.27236	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+2Na-H"	44.97116
"1139265"	219.07156	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2Na-H"	44.97116
"180368"	197.089618	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+2Na"	45.978436
"624304"	284.139818	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+2Na"	45.978436
"1125622"	110.039418	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2Na"	45.978436
"1405864"	73.6953706666667	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H+2Na"	46.985712
"1436886"	221.113146	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H+HCOOH"	47.012746
"227674"	202.12264	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+3H2O+2H"	56.04448
"1510634"	235.16519	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+IsoProp+H"	61.06479
"412873"	205.076588	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+Na+K"	61.952376
"772046"	292.126788	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+Na+K"	61.952376
"1668012"	118.026388	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Na+K"	61.952376
"252708"	412.216568	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+ACN+Na"	64.015768
"1228697"	238.116168	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+ACN+Na"	64.015768
"1717590"	238.139693	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+NH4+HCOOH"	64.039293
"1181120"	81.0226846666667	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+3Na"	68.967654
"1651740"	243.095088	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Na+HCOOH"	68.994688
"158119"	425.11984	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+2K-H"	76.91904
"602545"	599.22024	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+2K-H"	76.91904
"1096901"	251.01944	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2K-H"	76.91904
"155662"	213.063558	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"2M+2K"	77.926316
"591089"	300.113758	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"3M+2K"	77.926316
"1075601"	126.013358	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2K"	77.926316
"1106623"	253.033992	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2K+H"	78.933592
"1351224"	253.121607	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+DMSO+H"	79.021207
"1019317"	257.160776	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2ACN+H"	83.060376
"1538780"	258.154408	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+IsoProp+Na+H"	84.054008
"997206"	129.084026	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+2ACN+2H"	84.067652
"1593897"	259.069028	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+K+HCOOH"	84.968628
"1426117"	289.100538	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+H+CF3COOH"	115.000138
"1160780"	149.597301	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+3ACN+2H"	125.094202
"1710331"	306.127085	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+NH4+CF3COOH"	132.026685
"1642703"	311.08248	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+Na+CF3COOH"	136.98208
"1576165"	327.05642	"C01047"	"N5-Ethyl-L-glutamine;L-Theanine"	"C7H14N2O3"	"174.1004"	"M+K+CF3COOH"	152.95602
"804347"	679.1027	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M"	0
"984445"	660.08431	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-H2O-H"	-19.01839
"65033"	451.727857333333	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M-3H"	-3.021828
"505684"	678.095424	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M-3H"	-3.021828
"884578"	225.360290666667	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-3H"	-3.021828
"2425"	678.095424	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M-2H"	-2.014552
"440891"	1017.646774	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M-2H"	-2.014552
"818326"	338.544074	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-2H"	-2.014552
"82692"	1357.198124	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M-H"	-1.007276
"519943"	2036.300824	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M-H"	-1.007276
"897869"	678.095424	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-H"	-1.007276
"48115"	1374.224671	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M-2H+NH4"	16.019271
"487787"	2053.327371	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M-2H+NH4"	16.019271
"864259"	695.121971	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-2H+NH4"	16.019271
"35326"	1379.180066	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M-2H+Na"	20.974666
"473185"	2058.282766	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M-2H+Na"	20.974666
"849892"	700.077366	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-2H+Na"	20.974666
"1619673"	700.077366	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Na-2H"	20.974666
"95346"	696.083763	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M-H+Cl"	33.962126
"536123"	1035.635113	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M-H+Cl"	33.962126
"928912"	356.532413	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-H+Cl"	33.962126
"272579"	1393.174802	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+Cl"	34.969402
"662814"	2072.277502	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+Cl"	34.969402
"1279592"	714.072102	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Cl"	34.969402
"30305"	1395.154006	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M-2H+K"	36.948606
"470597"	2074.256706	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M-2H+K"	36.948606
"847905"	716.051306	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-2H+K"	36.948606
"1571259"	716.051306	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+K-2H"	36.948606
"956359"	724.100894	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-H+HCOOH"	44.998194
"373480"	1403.203601	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+HCOOH-H"	44.998201
"358820"	1417.219251	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+Hac-H"	59.013851
"1505100"	738.116551	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Hac-H"	59.013851
"970818"	746.082851	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-H+NaCOOH"	66.980151
"121545"	714.072102	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+2Cl"	69.938804
"564875"	1053.623452	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+2Cl"	69.938804
"1033914"	374.520752	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2Cl"	69.938804
"1256048"	758.021585	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Br"	78.918885
"1315211"	760.077572	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Cl+HCOOH"	80.974872
"1325053"	782.059529	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Cl+NaCOOH"	102.956829
"916109"	792.088286	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M-H+CF3COOH"	112.985586
"1292818"	828.064964	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Cl+CF3COOH"	148.962264
"1372082"	644.090024	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H-2H2O"	-35.012676
"1385205"	662.1	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H-H2O"	-17.0027
"292547"	1359.212676	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+H"	1.007276
"685698"	2038.315376	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+H"	1.007276
"1360227"	680.109976	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H"	1.007276
"129834"	680.109976	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+2H"	2.014552
"580333"	1019.661326	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+2H"	2.014552
"1051812"	340.558626	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2H"	2.014552
"218376"	453.742409333333	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+3H"	3.021828
"652224"	680.109976	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+3H"	3.021828
"1174721"	227.374842666667	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+3H"	3.021828
"436900"	1376.239223	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+NH4"	18.033823
"798987"	2055.341923	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+NH4"	18.033823
"1688761"	697.136523	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+NH4"	18.033823
"342874"	688.6232495	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+H+NH4"	19.041099
"731649"	1028.1745995	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+H+NH4"	19.041099
"1480002"	349.0718995	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H+NH4"	19.041099
"396494"	1381.194618	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+Na"	22.989218
"757488"	2060.297318	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+Na"	22.989218
"1606680"	702.091918	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Na"	22.989218
"318904"	691.100947	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+H+Na"	23.996494
"714606"	1030.652297	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+H+Na"	23.996494
"1464052"	351.549597	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H+Na"	23.996494
"1055471"	234.702156666667	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2H+Na"	25.00377
"1258486"	712.136186	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+CH3OH+H"	33.033486
"378401"	1397.168558	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+K"	38.963158
"739152"	2076.271258	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+K"	38.963158
"1540593"	718.065858	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+K"	38.963158
"299229"	699.087917	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+H+K"	39.970434
"692139"	1038.639267	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+H+K"	39.970434
"1446446"	359.536567	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H+K"	39.970434
"236869"	1400.239226	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+ACN+H"	42.033826
"1211036"	721.136526	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+ACN+H"	42.033826
"1194921"	361.071901	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+ACN+2H"	43.041102
"190101"	1403.17656	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+2Na-H"	44.97116
"630399"	2082.27926	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+2Na-H"	44.97116
"1140469"	724.07386	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2Na-H"	44.97116
"181571"	702.091918	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+2Na"	45.978436
"622228"	1041.643268	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+2Na"	45.978436
"1126462"	362.540568	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2Na"	45.978436
"1405974"	242.029470666667	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H+2Na"	46.985712
"1436996"	726.115446	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H+HCOOH"	47.012746
"227784"	707.12494	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+3H2O+2H"	56.04448
"1511108"	740.16749	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+IsoProp+H"	61.06479
"412618"	710.078888	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+Na+K"	61.952376
"772520"	1049.630238	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+Na+K"	61.952376
"1667027"	370.527538	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Na+K"	61.952376
"252938"	1422.221168	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+ACN+Na"	64.015768
"1226863"	743.118468	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+ACN+Na"	64.015768
"1713679"	743.141993	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+NH4+HCOOH"	64.039293
"1178989"	249.356784666667	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+3Na"	68.967654
"1650661"	748.097388	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Na+HCOOH"	68.994688
"158336"	1435.12444	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+2K-H"	76.91904
"597542"	2114.22714	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+2K-H"	76.91904
"1090449"	756.02174	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2K-H"	76.91904
"148359"	718.065858	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"2M+2K"	77.926316
"590107"	1057.617208	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"3M+2K"	77.926316
"1073526"	378.514508	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2K"	77.926316
"1107829"	758.036292	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2K+H"	78.933592
"1348467"	758.123907	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+DMSO+H"	79.021207
"1017118"	762.163076	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2ACN+H"	83.060376
"1529776"	763.156708	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+IsoProp+Na+H"	84.054008
"1002663"	381.585176	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+2ACN+2H"	84.067652
"1600205"	764.071328	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+K+HCOOH"	84.968628
"1427324"	794.102838	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+H+CF3COOH"	115.000138
"1158703"	402.098451	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+3ACN+2H"	125.094202
"1702788"	811.129385	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+NH4+CF3COOH"	132.026685
"1642813"	816.08478	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+Na+CF3COOH"	136.98208
"1576275"	832.05872	"C01050"	"UDP-N-acetylmuramate;UDP-N-acetyl-alpha-D-muramate;UDP-N-acetylmuramic acid;UDP-MurNAc"	"C20H31N3O19P2"	"679.1027"	"M+K+CF3COOH"	152.95602
"804456"	836.2752	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M"	0
"985648"	817.25681	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-H2O-H"	-19.01839
"67329"	556.509524	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M-3H"	-3.021828
"505794"	835.267924	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M-3H"	-3.021828
"884688"	277.751124	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-3H"	-3.021828
"2535"	835.267924	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M-2H"	-2.014552
"441730"	1253.405524	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M-2H"	-2.014552
"818436"	417.130324	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-2H"	-2.014552
"81710"	1671.543124	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M-H"	-1.007276
"519932"	2507.818324	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M-H"	-1.007276
"897614"	835.267924	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-H"	-1.007276
"48590"	1688.569671	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M-2H+NH4"	16.019271
"487779"	2524.844871	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M-2H+NH4"	16.019271
"864729"	852.294471	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-2H+NH4"	16.019271
"35437"	1693.525066	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M-2H+Na"	20.974666
"473780"	2529.800266	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M-2H+Na"	20.974666
"850974"	857.249866	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-2H+Na"	20.974666
"1620147"	857.249866	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Na-2H"	20.974666
"95819"	853.256263	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M-H+Cl"	33.962126
"536596"	1271.393863	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M-H+Cl"	33.962126
"928659"	435.118663	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-H+Cl"	33.962126
"274875"	1707.519802	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+Cl"	34.969402
"662924"	2543.795002	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+Cl"	34.969402
"1276421"	871.244602	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Cl"	34.969402
"29192"	1709.499006	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M-2H+K"	36.948606
"469484"	2545.774206	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M-2H+K"	36.948606
"845824"	873.223806	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-2H+K"	36.948606
"1569313"	873.223806	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+K-2H"	36.948606
"954278"	881.273394	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-H+HCOOH"	44.998194
"370306"	1717.548601	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+HCOOH-H"	44.998201
"359292"	1731.564251	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+Hac-H"	59.013851
"1505937"	895.289051	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Hac-H"	59.013851
"966187"	903.255351	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-H+NaCOOH"	66.980151
"115094"	871.244602	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+2Cl"	69.938804
"557933"	1289.382202	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+2Cl"	69.938804
"1028921"	453.107002	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2Cl"	69.938804
"1253965"	915.194085	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Br"	78.918885
"1309853"	917.250072	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Cl+HCOOH"	80.974872
"1324068"	939.232029	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Cl+NaCOOH"	102.956829
"916218"	949.260786	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M-H+CF3COOH"	112.985586
"1292564"	985.237464	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Cl+CF3COOH"	148.962264
"1367488"	801.262524	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H-2H2O"	-35.012676
"1385315"	819.2725	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H-H2O"	-17.0027
"292657"	1673.557676	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+H"	1.007276
"682891"	2509.832876	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+H"	1.007276
"1357056"	837.282476	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H"	1.007276
"128850"	837.282476	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+2H"	2.014552
"571694"	1255.420076	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+2H"	2.014552
"1050703"	419.144876	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2H"	2.014552
"218607"	558.524076	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+3H"	3.021828
"652334"	837.282476	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+3H"	3.021828
"1171551"	279.765676	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+3H"	3.021828
"438103"	1690.584223	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+NH4"	18.033823
"798003"	2526.859423	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+NH4"	18.033823
"1691058"	854.309023	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+NH4"	18.033823
"341526"	845.7957495	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+H+NH4"	19.041099
"730666"	1263.9333495	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+H+NH4"	19.041099
"1480476"	427.6581495	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H+NH4"	19.041099
"396604"	1695.539618	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+Na"	22.989218
"760878"	2531.814818	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+Na"	22.989218
"1606790"	859.264418	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Na"	22.989218
"323387"	848.273447	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+H+Na"	23.996494
"714716"	1266.411047	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+H+Na"	23.996494
"1467441"	430.135847	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H+Na"	23.996494
"1054489"	287.09299	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2H+Na"	25.00377
"1257986"	869.308686	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+CH3OH+H"	33.033486
"379848"	1711.513558	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+K"	38.963158
"740115"	2547.788758	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+K"	38.963158
"1540462"	875.238358	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+K"	38.963158
"299099"	856.260417	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+H+K"	39.970434
"694682"	1274.398017	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+H+K"	39.970434
"1447531"	438.122817	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H+K"	39.970434
"237465"	1714.584226	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+ACN+H"	42.033826
"1211631"	878.309026	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+ACN+H"	42.033826
"1195763"	439.658151	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+ACN+2H"	43.041102
"190941"	1717.52156	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+2Na-H"	44.97116
"633059"	2553.79676	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+2Na-H"	44.97116
"1138389"	881.24636	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2Na-H"	44.97116
"179129"	859.264418	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+2Na"	45.978436
"620148"	1277.402018	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+2Na"	45.978436
"1128028"	441.126818	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2Na"	45.978436
"1407177"	294.420304	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H+2Na"	46.985712
"1438199"	883.287946	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H+HCOOH"	47.012746
"228987"	864.29744	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+3H2O+2H"	56.04448
"1513769"	897.33999	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+IsoProp+H"	61.06479
"416737"	867.251388	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+Na+K"	61.952376
"772995"	1285.388988	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+Na+K"	61.952376
"1668595"	449.113788	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Na+K"	61.952376
"254384"	1736.566168	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+ACN+Na"	64.015768
"1228552"	900.290968	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+ACN+Na"	64.015768
"1714641"	900.314493	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+NH4+HCOOH"	64.039293
"1180241"	301.747618	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+3Na"	68.967654
"1650047"	905.269888	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Na+HCOOH"	68.994688
"157476"	1749.46944	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+2K-H"	76.91904
"598134"	2585.74464	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+2K-H"	76.91904
"1089466"	913.19424	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2K-H"	76.91904
"148469"	875.238358	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"2M+2K"	77.926316
"590217"	1293.375958	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"3M+2K"	77.926316
"1074729"	457.100758	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2K"	77.926316
"1107939"	915.208792	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2K+H"	78.933592
"1348698"	915.296407	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+DMSO+H"	79.021207
"1017228"	919.335576	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2ACN+H"	83.060376
"1529886"	920.329208	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+IsoProp+Na+H"	84.054008
"999614"	460.171426	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+2ACN+2H"	84.067652
"1597399"	921.243828	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+K+HCOOH"	84.968628
"1429703"	951.275338	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+H+CF3COOH"	115.000138
"1157720"	480.684701	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+3ACN+2H"	125.094202
"1702898"	968.301885	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+NH4+CF3COOH"	132.026685
"1644016"	973.25728	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+Na+CF3COOH"	136.98208
"1576385"	989.23122	"C01051"	"Uroporphyrinogen III"	"C40H44N4O16"	"836.2752"	"M+K+CF3COOH"	152.95602
"804567"	146.0579	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M"	0
"984665"	127.03951	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"65252"	96.3646573333333	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"508091"	145.050624	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"884798"	47.6786906666667	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"4469"	145.050624	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"441840"	218.079574	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"818547"	72.021674	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"81454"	291.108524	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"520650"	437.166424	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"897359"	145.050624	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"48578"	308.135071	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"488136"	454.192971	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"864435"	162.077171	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"34818"	313.090466	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"473647"	459.148366	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"851086"	167.032566	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1619527"	167.032566	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"96415"	163.038963	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"535979"	236.067913	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"928041"	90.010013	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"274985"	327.085202	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"663033"	473.143102	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1276531"	181.027302	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"30393"	329.064406	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"470320"	475.122306	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"847392"	183.006506	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1568328"	183.006506	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"951108"	191.056094	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"369322"	337.114001	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"359035"	351.129651	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1497664"	205.071751	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"965204"	213.038051	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"116296"	181.027302	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"554762"	254.056252	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1027937"	107.998352	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1250795"	224.976785	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1307776"	227.032772	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1324179"	249.014729	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"915235"	259.043486	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1290487"	295.020164	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1369017"	111.045224	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1386517"	129.0552	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"288393"	293.123076	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"679720"	439.180976	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1356073"	147.065176	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"131146"	147.065176	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"572896"	220.094126	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1048624"	74.036226	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"215431"	98.3792093333333	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"652443"	147.065176	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1171661"	49.6932426666667	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"434568"	310.149623	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"798478"	456.207523	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1686064"	164.091723	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"338354"	155.5784495	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"728588"	228.6073995	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1479125"	82.5494995	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"396347"	315.105018	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"759894"	461.162918	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1611273"	169.047118	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"322404"	158.056147	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"717013"	231.085097	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1466457"	85.027197	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1054599"	57.0205566666667	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1257732"	179.091386	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"381416"	331.078958	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"743141"	477.136858	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1541183"	185.021058	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"299454"	166.043117	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"696978"	239.072067	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1451892"	93.014167	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"237579"	334.149626	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1211376"	188.091726	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1195630"	94.549501	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"190200"	337.08696	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"635357"	483.14486	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1139228"	191.02906	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"179968"	169.047118	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"623538"	242.076068	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1128138"	96.018168	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1408380"	64.3478706666667	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1440496"	193.070646	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"229097"	174.08014	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1514972"	207.12269	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"413566"	177.034088	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"777841"	250.063038	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1669435"	104.005138	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"255223"	356.131568	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1227931"	210.073668	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1713535"	210.097193	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1179621"	71.6751846666667	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1650005"	215.052588	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"157217"	369.03484	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"597515"	515.09274	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1090669"	222.97694	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"149672"	185.021058	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"590327"	258.050008	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1075932"	111.992108	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1108049"	224.991492	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1348808"	225.079107	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1017338"	229.118276	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1531089"	230.111908	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"999724"	115.062776	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1599332"	231.026528	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1429003"	261.058038	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1161110"	135.576051	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1703008"	278.084585	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1644126"	283.03998	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1576495"	299.01392	"C01053"	"(R)-4-Dehydropantoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"813427"	426.3862	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M"	0
"984775"	407.36781	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"62953"	283.250190666667	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"507108"	425.378924	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"883817"	141.121457333333	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"364"	425.378924	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"440492"	638.572024	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"820844"	212.185824	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"83023"	851.765124	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"521489"	1278.151324	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"896375"	425.378924	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"47834"	868.791671	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"488003"	1295.177871	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"864314"	442.405471	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"35656"	873.747066	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"475582"	1300.133266	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"850468"	447.360866	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1621097"	447.360866	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"101273"	443.367263	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"536459"	656.560363	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"927786"	230.174163	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"275095"	887.741802	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"663144"	1314.128002	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1276641"	461.355602	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"27952"	889.721006	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"469337"	1316.107206	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"846408"	463.334806	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1566616"	463.334806	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"952311"	471.384394	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"369068"	897.770601	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"358417"	911.786251	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1497774"	485.400051	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"967500"	493.366351	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"118594"	461.355602	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"557060"	674.548702	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1029140"	248.162502	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1246533"	505.305085	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1310074"	507.361072	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1323198"	529.343029	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"913525"	539.371786	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1290598"	575.348464	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1367154"	391.373524	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1384804"	409.3835	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"289596"	853.779676	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"679830"	1280.165876	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1359462"	427.393476	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H"	1.007276
"127978"	427.393476	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"570085"	640.586576	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1047276"	214.200376	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"216878"	285.264742666667	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"658749"	427.393476	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1175780"	143.136009333333	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"434313"	870.806223	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"793850"	1297.192423	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1686900"	444.420023	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"335182"	435.9067495	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"728698"	649.0998495	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1478505"	222.7136495	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"396820"	875.761618	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"758181"	1302.147818	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1604821"	449.375418	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"323607"	438.384447	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"713843"	651.577547	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1464380"	225.191347	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1053737"	150.463323333333	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1257723"	459.419686	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"377179"	891.735558	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"742158"	1318.121758	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1543117"	465.349358	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+K"	38.963158
"298624"	446.371417	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"697088"	659.564517	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1447628"	233.178317	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"236716"	894.806226	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1210040"	468.420026	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1196102"	234.713651	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"190792"	897.74356	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"629998"	1324.12976	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1138610"	471.35736	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"177526"	449.375418	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"621462"	662.568518	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1124969"	236.182318	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1408489"	157.790637333333	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1440606"	473.398946	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"230300"	454.40844	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1512894"	487.45099	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"412582"	457.362388	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"775398"	670.555488	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1668816"	244.169288	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"254971"	916.788168	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1227312"	490.401968	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1713079"	490.425493	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1178477"	165.117951333333	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1649891"	495.380888	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"157281"	929.69144	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"597180"	1356.07764	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1091871"	503.30524	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"153064"	465.349358	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"589343"	678.542458	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1077137"	252.156258	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1108159"	505.319792	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1351071"	505.407407	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1019636"	509.446576	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1534479"	510.440208	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1002021"	255.226926	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1599442"	511.354828	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1429477"	541.386338	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1160858"	275.740201	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1703118"	558.412885	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1643143"	563.36828	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1575512"	579.34222	"C01054"	"(S)-23-Epoxysqualene;Squalene 23-epoxide;Squalene 23-oxide;(S)-Squalene-23-epoxide;23-Oxidosqualene;(3S)-23-Epoxy-23-dihydrosqualene"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"811348"	178.1106	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M"	0
"984885"	159.09221	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H2O-H"	-19.01839
"65473"	117.733124	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-3H"	-3.021828
"512685"	177.103324	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-3H"	-3.021828
"887207"	58.362924	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-3H"	-3.021828
"5783"	177.103324	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H"	-2.014552
"447528"	266.158624	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H"	-2.014552
"823142"	88.048024	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H"	-2.014552
"85320"	355.213924	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-H"	-1.007276
"525974"	533.324524	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-H"	-1.007276
"897214"	177.103324	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H"	-1.007276
"50497"	372.240471	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H+NH4"	16.019271
"488601"	550.351071	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H+NH4"	16.019271
"865307"	194.129871	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H+NH4"	16.019271
"37224"	377.195866	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H+Na"	20.974666
"478243"	555.306466	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H+Na"	20.974666
"852400"	199.085266	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H+Na"	20.974666
"1621571"	199.085266	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na-2H"	20.974666
"101383"	195.091663	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-H+Cl"	33.962126
"536932"	284.146963	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-H+Cl"	33.962126
"929718"	106.036363	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+Cl"	33.962126
"268643"	391.190602	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Cl"	34.969402
"667627"	569.301202	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+Cl"	34.969402
"1276751"	213.080002	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl"	34.969402
"30613"	393.169806	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H+K"	36.948606
"471110"	571.280406	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H+K"	36.948606
"847249"	215.059206	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H+K"	36.948606
"1567455"	215.059206	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K-2H"	36.948606
"954973"	223.108794	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+HCOOH"	44.998194
"369542"	401.219401	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+HCOOH-H"	44.998201
"358527"	415.235051	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Hac-H"	59.013851
"1501163"	237.124451	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Hac-H"	59.013851
"967610"	245.090751	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+NaCOOH"	66.980151
"115424"	213.080002	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2Cl"	69.938804
"554983"	302.135302	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2Cl"	69.938804
"1028157"	124.024702	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2Cl"	69.938804
"1249922"	257.029485	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Br"	78.918885
"1306904"	259.085472	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl+HCOOH"	80.974872
"1324401"	281.067429	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl+NaCOOH"	102.956829
"912906"	291.096186	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+CF3COOH"	112.985586
"1290708"	327.072864	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl+CF3COOH"	148.962264
"1367778"	143.097924	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H-2H2O"	-35.012676
"1383821"	161.1079	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H-H2O"	-17.0027
"288613"	357.228476	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H"	1.007276
"681034"	535.339076	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H"	1.007276
"1361759"	179.117876	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H"	1.007276
"128449"	179.117876	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2H"	2.014552
"569465"	268.173176	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2H"	2.014552
"1044105"	90.062576	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2H"	2.014552
"214921"	119.747676	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+3H"	3.021828
"656672"	179.117876	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+3H"	3.021828
"1174432"	60.377476	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+3H"	3.021828
"434058"	374.255023	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+NH4"	18.033823
"789951"	552.365623	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+NH4"	18.033823
"1684824"	196.144423	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+NH4"	18.033823
"335291"	187.6311495	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H+NH4"	19.041099
"726985"	276.6864495	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H+NH4"	19.041099
"1478616"	98.5758495	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+NH4"	19.041099
"394743"	379.210418	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Na"	22.989218
"761206"	557.321018	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+Na"	22.989218
"1606024"	201.099818	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na"	22.989218
"321530"	190.108847	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H+Na"	23.996494
"712857"	279.164147	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H+Na"	23.996494
"1463396"	101.053547	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+Na"	23.996494
"1054819"	67.70479	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2H+Na"	25.00377
"1257586"	211.144086	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+CH3OH+H"	33.033486
"377982"	395.184358	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+K"	38.963158
"738547"	573.294958	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+K"	38.963158
"1542133"	217.073758	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K"	38.963158
"299673"	198.095817	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H+K"	39.970434
"691771"	287.151117	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H+K"	39.970434
"1445692"	109.040517	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+K"	39.970434
"236702"	398.255026	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+ACN+H"	42.033826
"1209972"	220.144426	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+ACN+H"	42.033826
"1194507"	110.575851	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+ACN+2H"	43.041102
"190538"	401.19236	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2Na-H"	44.97116
"629380"	579.30296	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2Na-H"	44.97116
"1136534"	223.08176	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2Na-H"	44.97116
"176907"	201.099818	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2Na"	45.978436
"623758"	290.155118	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2Na"	45.978436
"1126172"	112.044518	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2Na"	45.978436
"1407506"	75.032104	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+2Na"	46.985712
"1439623"	225.123346	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+HCOOH"	47.012746
"230410"	206.13284	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+3H2O+2H"	56.04448
"1512640"	239.17539	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+IsoProp+H"	61.06479
"412693"	209.086788	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Na+K"	61.952376
"780248"	298.142088	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+Na+K"	61.952376
"1669290"	120.031488	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na+K"	61.952376
"255081"	420.236968	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+ACN+Na"	64.015768
"1228152"	242.126368	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+ACN+Na"	64.015768
"1714122"	242.149893	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+NH4+HCOOH"	64.039293
"1179840"	82.359418	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+3Na"	68.967654
"1650008"	247.105288	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na+HCOOH"	68.994688
"157320"	433.14024	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2K-H"	76.91904
"597574"	611.25084	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2K-H"	76.91904
"1089795"	255.02964	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2K-H"	76.91904
"154267"	217.073758	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2K"	77.926316
"590547"	306.129058	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2K"	77.926316
"1076154"	128.018458	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2K"	77.926316
"1108269"	257.044192	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2K+H"	78.933592
"1349031"	257.131807	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+DMSO+H"	79.021207
"1016466"	261.170976	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2ACN+H"	83.060376
"1534589"	262.164608	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+IsoProp+Na+H"	84.054008
"1003224"	131.089126	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2ACN+2H"	84.067652
"1601009"	263.079228	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K+HCOOH"	84.968628
"1427763"	293.110738	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+CF3COOH"	115.000138
"1160238"	151.602401	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+3ACN+2H"	125.094202
"1703228"	310.137285	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+NH4+CF3COOH"	132.026685
"1643253"	315.09268	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na+CF3COOH"	136.98208
"1575622"	331.06662	"C01056"	"(S)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K+CF3COOH"	152.95602
"816200"	111.032	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M"	0
"981713"	92.01361	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H2O-H"	-19.01839
"67771"	73.0140573333333	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-3H"	-3.021828
"502978"	110.024724	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-3H"	-3.021828
"881851"	36.0033906666667	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-3H"	-3.021828
"2612"	110.024724	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H"	-2.014552
"443629"	165.540724	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H"	-2.014552
"819606"	54.508724	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H"	-2.014552
"80689"	221.056724	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-H"	-1.007276
"520980"	332.088724	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-H"	-1.007276
"897323"	110.024724	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H"	-1.007276
"48542"	238.083271	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+NH4"	16.019271
"489196"	349.115271	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+NH4"	16.019271
"865782"	127.051271	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+NH4"	16.019271
"34784"	243.038666	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+Na"	20.974666
"475806"	354.070666	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+Na"	20.974666
"853606"	132.006666	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+Na"	20.974666
"1622776"	132.006666	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na-2H"	20.974666
"101493"	128.013063	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-H+Cl"	33.962126
"536310"	183.529063	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-H+Cl"	33.962126
"933473"	72.497063	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+Cl"	33.962126
"275315"	257.033402	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Cl"	34.969402
"663361"	368.065402	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Cl"	34.969402
"1279046"	146.001402	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl"	34.969402
"24888"	259.012606	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+K"	36.948606
"469805"	370.044606	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+K"	36.948606
"846630"	147.980606	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+K"	36.948606
"1570608"	147.980606	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K-2H"	36.948606
"955449"	156.030194	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+HCOOH"	44.998194
"376703"	267.062201	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+HCOOH-H"	44.998201
"358276"	281.077851	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Hac-H"	59.013851
"1505285"	170.045851	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Hac-H"	59.013851
"965535"	178.012151	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+NaCOOH"	66.980151
"118815"	146.001402	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Cl"	69.938804
"562385"	201.517402	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Cl"	69.938804
"1034829"	90.485402	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Cl"	69.938804
"1250032"	189.950885	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Br"	78.918885
"1305922"	192.006872	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+HCOOH"	80.974872
"1329978"	213.988829	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+NaCOOH"	102.956829
"911799"	224.017586	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+CF3COOH"	112.985586
"1291183"	259.994264	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+CF3COOH"	148.962264
"1369346"	76.019324	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H-2H2O"	-35.012676
"1384660"	94.0293	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H-H2O"	-17.0027
"287626"	223.071276	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H"	1.007276
"682238"	334.103276	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H"	1.007276
"1357493"	112.039276	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H"	1.007276
"130384"	112.039276	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2H"	2.014552
"569946"	167.555276	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2H"	2.014552
"1047494"	56.523276	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2H"	2.014552
"215031"	75.0286093333333	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+3H"	3.021828
"653860"	112.039276	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+3H"	3.021828
"1168707"	38.0179426666667	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3H"	3.021828
"438181"	240.097823	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+NH4"	18.033823
"791883"	351.129823	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+NH4"	18.033823
"1687121"	129.065823	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4"	18.033823
"336494"	120.5525495	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+NH4"	19.041099
"731105"	176.0685495	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+NH4"	19.041099
"1479091"	65.0365495	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+NH4"	19.041099
"394245"	245.053218	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Na"	22.989218
"756214"	356.085218	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Na"	22.989218
"1604313"	134.021218	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na"	22.989218
"319817"	123.030247	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+Na"	23.996494
"714061"	178.546247	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+Na"	23.996494
"1462290"	67.514247	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+Na"	23.996494
"1055051"	45.3452566666667	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2H+Na"	25.00377
"1257698"	144.065486	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+CH3OH+H"	33.033486
"377970"	261.027158	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+K"	38.963158
"739327"	372.059158	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+K"	38.963158
"1544429"	149.995158	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K"	38.963158
"302702"	131.017217	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+K"	39.970434
"694029"	186.533217	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+K"	39.970434
"1446751"	75.501217	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+K"	39.970434
"237542"	264.097826	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+ACN+H"	42.033826
"1210119"	153.065826	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+H"	42.033826
"1194983"	77.036551	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+2H"	43.041102
"190657"	267.03516	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Na-H"	44.97116
"631305"	378.06716	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Na-H"	44.97116
"1142111"	156.00316	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Na-H"	44.97116
"184309"	134.021218	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Na"	45.978436
"623871"	189.537218	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Na"	45.978436
"1118629"	78.505218	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Na"	45.978436
"1402152"	52.6725706666667	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+2Na"	46.985712
"1431348"	158.044746	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+HCOOH"	47.012746
"225055"	139.05424	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+3H2O+2H"	56.04448
"1512024"	172.09679	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+IsoProp+H"	61.06479
"414992"	142.008188	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Na+K"	61.952376
"778174"	197.524188	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Na+K"	61.952376
"1670132"	86.492188	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+K"	61.952376
"255190"	286.079768	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+ACN+Na"	64.015768
"1228628"	175.047768	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+Na"	64.015768
"1714596"	175.071293	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4+HCOOH"	64.039293
"1179585"	59.9998846666667	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3Na"	68.967654
"1650165"	180.026688	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+HCOOH"	68.994688
"157311"	298.98304	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2K-H"	76.91904
"597279"	410.01504	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2K-H"	76.91904
"1084674"	187.95104	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K-H"	76.91904
"155958"	149.995158	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2K"	77.926316
"595032"	205.511158	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2K"	77.926316
"1082463"	94.479158	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K"	77.926316
"1115475"	189.965592	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K+H"	78.933592
"1349265"	190.053207	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+DMSO+H"	79.021207
"1020589"	194.092376	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2ACN+H"	83.060376
"1538472"	195.086008	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+IsoProp+Na+H"	84.054008
"1004065"	97.549826	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2ACN+2H"	84.067652
"1601851"	196.000628	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K+HCOOH"	84.968628
"1426781"	226.032138	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+CF3COOH"	115.000138
"1160715"	118.063101	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3ACN+2H"	125.094202
"1710873"	243.058685	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4+CF3COOH"	132.026685
"1647373"	248.01408	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+CF3COOH"	136.98208
"1573548"	263.98802	"C01059"	"25-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K+CF3COOH"	152.95602
"811572"	432.8672	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M"	0
"987292"	413.84881	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-H2O-H"	-19.01839
"71160"	287.570857333333	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M-3H"	-3.021828
"516187"	431.859924	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M-3H"	-3.021828
"891801"	143.281790666667	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-3H"	-3.021828
"9283"	431.859924	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M-2H"	-2.014552
"448844"	648.293524	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M-2H"	-2.014552
"825550"	215.426324	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-2H"	-2.014552
"83354"	864.727124	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M-H"	-1.007276
"521454"	1297.594324	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M-H"	-1.007276
"898164"	431.859924	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-H"	-1.007276
"48651"	881.753671	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M-2H+NH4"	16.019271
"488086"	1314.620871	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M-2H+NH4"	16.019271
"866257"	448.886471	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-2H+NH4"	16.019271
"36716"	886.709066	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M-2H+Na"	20.974666
"481016"	1319.576266	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M-2H+Na"	20.974666
"859914"	453.841866	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-2H+Na"	20.974666
"1627261"	453.841866	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Na-2H"	20.974666
"98322"	449.848263	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M-H+Cl"	33.962126
"536788"	666.281863	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M-H+Cl"	33.962126
"929203"	233.414663	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-H+Cl"	33.962126
"272144"	900.703802	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+Cl"	34.969402
"664569"	1333.571002	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+Cl"	34.969402
"1286094"	467.836602	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Cl"	34.969402
"29991"	902.683006	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M-2H+K"	36.948606
"471011"	1335.550206	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M-2H+K"	36.948606
"847839"	469.815806	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-2H+K"	36.948606
"1569501"	469.815806	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+K-2H"	36.948606
"957387"	477.865394	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-H+HCOOH"	44.998194
"375840"	910.732601	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+HCOOH-H"	44.998201
"361068"	924.748251	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+Hac-H"	59.013851
"1506853"	491.881051	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Hac-H"	59.013851
"966739"	499.847351	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-H+NaCOOH"	66.980151
"120020"	467.836602	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+2Cl"	69.938804
"564806"	684.270202	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+2Cl"	69.938804
"1035914"	251.403002	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2Cl"	69.938804
"1250145"	511.786085	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Br"	78.918885
"1316965"	513.842072	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Cl+HCOOH"	80.974872
"1326808"	535.824029	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Cl+NaCOOH"	102.956829
"915679"	545.852786	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M-H+CF3COOH"	112.985586
"1290199"	581.829464	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Cl+CF3COOH"	148.962264
"1371646"	397.854524	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H-2H2O"	-35.012676
"1393154"	415.8645	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H-H2O"	-17.0027
"288834"	866.741676	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+H"	1.007276
"684535"	1299.608876	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+H"	1.007276
"1356508"	433.874476	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H"	1.007276
"129398"	433.874476	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+2H"	2.014552
"571147"	650.308076	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+2H"	2.014552
"1042135"	217.440876	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2H"	2.014552
"212223"	289.585409333333	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+3H"	3.021828
"648501"	433.874476	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+3H"	3.021828
"1169540"	145.296342666667	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+3H"	3.021828
"431354"	883.768223	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+NH4"	18.033823
"790166"	1316.635423	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+NH4"	18.033823
"1686134"	450.901023	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+NH4"	18.033823
"334778"	442.3877495	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+H+NH4"	19.041099
"727204"	658.8213495	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+H+NH4"	19.041099
"1481754"	225.9541495	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H+NH4"	19.041099
"395695"	888.723618	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+Na"	22.989218
"762522"	1321.590818	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+Na"	22.989218
"1616089"	455.856418	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Na"	22.989218
"323938"	444.865447	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+H+Na"	23.996494
"718181"	661.299047	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+H+Na"	23.996494
"1462278"	228.431847	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H+Na"	23.996494
"1055404"	152.623656666667	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2H+Na"	25.00377
"1257931"	465.900686	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+CH3OH+H"	33.033486
"377433"	904.697558	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+K"	38.963158
"739323"	1337.564758	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+K"	38.963158
"1544541"	471.830358	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+K"	38.963158
"302814"	452.852417	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+H+K"	39.970434
"693776"	669.286017	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+H+K"	39.970434
"1447227"	236.418817	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H+K"	39.970434
"236681"	907.768226	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+ACN+H"	42.033826
"1210966"	474.901026	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+ACN+H"	42.033826
"1195089"	237.954151	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+ACN+2H"	43.041102
"190035"	910.70556	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+2Na-H"	44.97116
"629964"	1343.57276	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+2Na-H"	44.97116
"1137847"	477.83836	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2Na-H"	44.97116
"186605"	455.856418	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+2Na"	45.978436
"622885"	672.290018	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+2Na"	45.978436
"1125296"	239.422818	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2Na"	45.978436
"1407726"	159.950970666667	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H+2Na"	46.985712
"1439842"	479.879946	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H+HCOOH"	47.012746
"229537"	460.88944	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+3H2O+2H"	56.04448
"1517599"	493.93199	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+IsoProp+H"	61.06479
"417287"	463.843388	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+Na+K"	61.952376
"777189"	680.276988	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+Na+K"	61.952376
"1667324"	247.409788	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Na+K"	61.952376
"254574"	929.750168	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+ACN+Na"	64.015768
"1228374"	496.882968	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+ACN+Na"	64.015768
"1715802"	496.906493	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+NH4+HCOOH"	64.039293
"1179333"	167.278284666667	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+3Na"	68.967654
"1651169"	501.861888	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Na+HCOOH"	68.994688
"158152"	942.65344	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+2K-H"	76.91904
"601122"	1375.52064	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+2K-H"	76.91904
"1091107"	509.78624	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2K-H"	76.91904
"155219"	471.830358	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"2M+2K"	77.926316
"596847"	688.263958	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"3M+2K"	77.926316
"1083061"	255.396758	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2K"	77.926316
"1115179"	511.800792	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2K+H"	78.933592
"1350592"	511.888407	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+DMSO+H"	79.021207
"1019846"	515.927576	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2ACN+H"	83.060376
"1538701"	516.921208	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+IsoProp+Na+H"	84.054008
"1004296"	258.467426	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+2ACN+2H"	84.067652
"1595760"	517.835828	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+K+HCOOH"	84.968628
"1429075"	547.867338	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+H+CF3COOH"	115.000138
"1160096"	278.980701	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+3ACN+2H"	125.094202
"1711104"	564.893885	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+NH4+CF3COOH"	132.026685
"1643474"	569.84928	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+Na+CF3COOH"	136.98208
"1573658"	585.82322	"C01060"	"35-Diiodo-L-tyrosine;35-Diiodotyrosine;L-Diiodotyrosine"	"C9H9I2NO3"	"432.8672"	"M+K+CF3COOH"	152.95602
"810587"	200.0321	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M"	0
"983029"	181.01371	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-H2O-H"	-19.01839
"66897"	132.347457333333	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M-3H"	-3.021828
"507548"	199.024824	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M-3H"	-3.021828
"886443"	65.6700906666667	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-3H"	-3.021828
"5017"	199.024824	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M-2H"	-2.014552
"445672"	299.040874	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M-2H"	-2.014552
"820556"	99.008774	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-2H"	-2.014552
"83464"	399.056924	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M-H"	-1.007276
"519860"	599.089024	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M-H"	-1.007276
"898637"	199.024824	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-H"	-1.007276
"48757"	416.083471	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M-2H+NH4"	16.019271
"488439"	616.115571	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M-2H+NH4"	16.019271
"866120"	216.051371	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-2H+NH4"	16.019271
"32200"	421.038866	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M-2H+Na"	20.974666
"472493"	621.070966	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M-2H+Na"	20.974666
"854188"	221.006766	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-2H+Na"	20.974666
"1628464"	221.006766	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Na-2H"	20.974666
"98432"	217.013163	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M-H+Cl"	33.962126
"538355"	317.029213	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M-H+Cl"	33.962126
"928707"	116.997113	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-H+Cl"	33.962126
"275533"	435.033602	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+Cl"	34.969402
"664679"	635.065702	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+Cl"	34.969402
"1285473"	235.001502	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Cl"	34.969402
"29857"	437.012806	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M-2H+K"	36.948606
"470998"	637.044906	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M-2H+K"	36.948606
"847949"	236.980706	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-2H+K"	36.948606
"1570825"	236.980706	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+K-2H"	36.948606
"957982"	245.030294	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-H+HCOOH"	44.998194
"375707"	445.062401	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+HCOOH-H"	44.998201
"361169"	459.078051	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+Hac-H"	59.013851
"1504776"	259.045951	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Hac-H"	59.013851
"964661"	267.012251	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-H+NaCOOH"	66.980151
"120130"	235.001502	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+2Cl"	69.938804
"564915"	335.017552	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+2Cl"	69.938804
"1030676"	134.985452	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2Cl"	69.938804
"1246973"	278.950985	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Br"	78.918885
"1310515"	281.006972	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Cl+HCOOH"	80.974872
"1325824"	302.988929	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Cl+NaCOOH"	102.956829
"914329"	313.017686	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M-H+CF3COOH"	112.985586
"1290670"	348.994364	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Cl+CF3COOH"	148.962264
"1370661"	165.019424	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H-2H2O"	-35.012676
"1391441"	183.0294	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H-H2O"	-17.0027
"288940"	401.071476	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+H"	1.007276
"680270"	601.103576	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+H"	1.007276
"1354795"	201.039376	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H"	1.007276
"128415"	201.039376	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+2H"	2.014552
"568702"	301.055426	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+2H"	2.014552
"1043338"	101.023326	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2H"	2.014552
"212333"	134.362009333333	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+3H"	3.021828
"650797"	201.039376	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+3H"	3.021828
"1168193"	67.6846426666667	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+3H"	3.021828
"429278"	418.098023	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+NH4"	18.033823
"791005"	618.130123	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+NH4"	18.033823
"1687337"	218.065923	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+NH4"	18.033823
"333794"	209.5526495	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+H+NH4"	19.041099
"730228"	309.5686995	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+H+NH4"	19.041099
"1480770"	109.5365995	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H+NH4"	19.041099
"401634"	423.053418	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+Na"	22.989218
"760442"	623.085518	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+Na"	22.989218
"1607449"	223.021318	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Na"	22.989218
"321860"	212.030347	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+H+Na"	23.996494
"714279"	312.046397	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+H+Na"	23.996494
"1461813"	112.014297	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H+Na"	23.996494
"1053200"	75.0119566666667	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2H+Na"	25.00377
"1257913"	233.065586	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+CH3OH+H"	33.033486
"377417"	439.027358	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+K"	38.963158
"739186"	639.059458	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+K"	38.963158
"1544652"	238.995258	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+K"	38.963158
"304017"	220.017317	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+H+K"	39.970434
"694250"	320.033367	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+H+K"	39.970434
"1447701"	120.001267	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H+K"	39.970434
"237764"	442.098026	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+ACN+H"	42.033826
"1210470"	242.065926	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+ACN+H"	42.033826
"1194714"	121.536601	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+ACN+2H"	43.041102
"191602"	445.03536	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+2Na-H"	44.97116
"632261"	645.06746	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+2Na-H"	44.97116
"1139050"	245.00326	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2Na-H"	44.97116
"184527"	223.021318	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+2Na"	45.978436
"621900"	323.037368	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+2Na"	45.978436
"1119209"	123.005268	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2Na"	45.978436
"1408929"	82.3392706666667	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H+2Na"	46.985712
"1436671"	247.044846	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H+HCOOH"	47.012746
"230740"	228.05434	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+3H2O+2H"	56.04448
"1516615"	261.09689	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+IsoProp+H"	61.06479
"418490"	231.008288	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+Na+K"	61.952376
"777299"	331.024338	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+Na+K"	61.952376
"1667798"	130.992238	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Na+K"	61.952376
"253223"	464.079968	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+ACN+Na"	64.015768
"1228485"	264.047868	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+ACN+Na"	64.015768
"1715548"	264.071393	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+NH4+HCOOH"	64.039293
"1178955"	89.6665846666667	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+3Na"	68.967654
"1651279"	269.026788	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Na+HCOOH"	68.994688
"158747"	476.98324	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+2K-H"	76.91904
"597705"	677.01534	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+2K-H"	76.91904
"1091217"	276.95114	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2K-H"	76.91904
"155449"	238.995258	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"2M+2K"	77.926316
"595251"	339.011308	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"3M+2K"	77.926316
"1082923"	138.979208	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2K"	77.926316
"1114802"	278.965692	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2K+H"	78.933592
"1350584"	279.053307	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+DMSO+H"	79.021207
"1019833"	283.092476	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2ACN+H"	83.060376
"1534919"	284.086108	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+IsoProp+Na+H"	84.054008
"1002459"	142.049876	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+2ACN+2H"	84.067652
"1596963"	285.000728	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+K+HCOOH"	84.968628
"1428943"	315.032238	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+H+CF3COOH"	115.000138
"1162270"	162.563151	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+3ACN+2H"	125.094202
"1711212"	332.058785	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+NH4+CF3COOH"	132.026685
"1643584"	337.01418	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+Na+CF3COOH"	136.98208
"1572675"	352.98812	"C01061"	"4-Fumarylacetoacetate;4-Fumarylacetoacetic acid;Fumarylacetoacetate"	"C8H8O6"	"200.0321"	"M+K+CF3COOH"	152.95602
"810697"	194.0427	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M"	0
"984232"	175.02431	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"68100"	128.354524	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"506565"	193.035424	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"886553"	63.673624	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"5127"	193.035424	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"444689"	290.056774	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"819573"	96.014074	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"84668"	387.078124	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"528602"	581.120824	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"901300"	193.035424	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"48750"	404.104671	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"487703"	598.147371	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"865018"	210.061971	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"31825"	409.060066	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"471542"	603.102766	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"848827"	215.017366	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1627480"	215.017366	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"97448"	211.023763	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"538101"	308.045113	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"930523"	114.002413	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"278925"	423.054802	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"668063"	617.097502	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1278281"	229.012102	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"29603"	425.034006	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"470946"	619.076706	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"847979"	230.991306	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1571243"	230.991306	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"955415"	239.040894	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"376947"	433.083601	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"361330"	447.099251	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1504887"	253.056551	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"965867"	261.022851	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"116231"	229.012102	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"558707"	326.033452	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1033702"	131.990752	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1247083"	272.961585	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1310625"	275.017572	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1325934"	296.999529	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"912738"	307.028286	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1288793"	343.004964	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1369679"	159.030024	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1392644"	177.04	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"290142"	389.092676	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"681473"	583.135376	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1356002"	195.049976	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"128524"	195.049976	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"570270"	292.071326	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1043448"	98.028626	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"210253"	130.369076	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"649815"	195.049976	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1169034"	65.688176	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"430119"	406.119223	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"792207"	600.161923	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1683074"	212.076523	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"332810"	203.5632495	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"727058"	300.5845995	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1483430"	106.5418995	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"396639"	411.074618	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"761646"	605.117318	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1605007"	217.031918	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"318690"	206.040947	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"713296"	303.062297	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1461634"	109.019597	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1053100"	73.01549	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1257069"	227.076186	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"377361"	427.048558	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"738897"	621.091258	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1542941"	233.005858	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"304492"	214.027917	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"697277"	311.049267	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1448546"	117.006567	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"240064"	430.119226	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1210215"	236.076526	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1194219"	118.541901	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"191712"	433.05656	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"630185"	627.09926	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1141348"	239.01386	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"183546"	217.031918	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"620918"	314.053268	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1118955"	120.010568	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1407946"	80.342804	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1436781"	241.055446	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"225382"	222.06494	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1514538"	255.10749	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"418600"	225.018888	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"777409"	322.040238	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1668274"	127.997538	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"253700"	452.101168	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1228595"	258.058468	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1715297"	258.081993	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1181744"	87.670118	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1651638"	263.037388	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"158372"	465.00444	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"598178"	659.04714	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1091327"	270.96174	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"155680"	233.005858	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"596791"	330.027208	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1084161"	135.984508	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1115365"	272.976292	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1350696"	273.063907	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1019943"	277.103076	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1533936"	278.096708	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1002569"	139.055176	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1597073"	279.011328	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1428931"	309.042838	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1162015"	159.568451	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1711322"	326.069385	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1643694"	331.02478	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1572785"	346.99872	"C01062"	"5-Dehydro-D-gluconate;5-Dehydrogluconate"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"814819"	909.1782	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M"	0
"978874"	890.15981	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H2O-H"	-19.01839
"64929"	605.111524	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-3H"	-3.021828
"511048"	908.170924	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-3H"	-3.021828
"884476"	302.052124	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-3H"	-3.021828
"6331"	908.170924	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H"	-2.014552
"445892"	1362.760024	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H"	-2.014552
"821506"	453.581824	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H"	-2.014552
"84777"	1817.349124	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-H"	-1.007276
"524338"	2726.527324	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-H"	-1.007276
"901047"	908.170924	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H"	-1.007276
"49589"	1834.375671	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H+NH4"	16.019271
"488418"	2743.553871	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H+NH4"	16.019271
"866585"	925.197471	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H+NH4"	16.019271
"33391"	1839.331066	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H+Na"	20.974666
"472591"	2748.509266	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H+Na"	20.974666
"849422"	930.152866	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H+Na"	20.974666
"1625404"	930.152866	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na-2H"	20.974666
"95736"	926.159263	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-H+Cl"	33.962126
"535296"	1380.748363	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-H+Cl"	33.962126
"930633"	471.570163	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+Cl"	33.962126
"278671"	1853.325802	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Cl"	34.969402
"667080"	2762.504002	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+Cl"	34.969402
"1276205"	944.147602	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl"	34.969402
"31404"	1855.305006	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H+K"	36.948606
"469632"	2764.483206	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H+K"	36.948606
"847192"	946.126806	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H+K"	36.948606
"1571295"	946.126806	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K-2H"	36.948606
"958251"	954.176394	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+HCOOH"	44.998194
"376782"	1863.354601	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+HCOOH-H"	44.998201
"361232"	1877.370251	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Hac-H"	59.013851
"1504997"	968.192051	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Hac-H"	59.013851
"969257"	976.158351	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+NaCOOH"	66.980151
"117071"	944.147602	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2Cl"	69.938804
"563920"	1398.736702	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2Cl"	69.938804
"1033083"	489.558502	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2Cl"	69.938804
"1247193"	988.097085	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Br"	78.918885
"1310735"	990.153072	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl+HCOOH"	80.974872
"1326044"	1012.135029	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl+NaCOOH"	102.956829
"911755"	1022.163786	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+CF3COOH"	112.985586
"1288782"	1058.140464	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl+CF3COOH"	148.962264
"1369789"	874.165524	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H-2H2O"	-35.012676
"1389473"	892.1755	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H-H2O"	-17.0027
"288066"	1819.363676	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H"	1.007276
"681583"	2728.541876	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H"	1.007276
"1356841"	910.185476	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H"	1.007276
"128634"	910.185476	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2H"	2.014552
"568194"	1364.774576	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2H"	2.014552
"1041736"	455.596376	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2H"	2.014552
"210363"	607.126076	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+3H"	3.021828
"648832"	910.185476	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+3H"	3.021828
"1165865"	304.066676	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+3H"	3.021828
"428043"	1836.390223	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+NH4"	18.033823
"790131"	2745.568423	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+NH4"	18.033823
"1682211"	927.212023	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+NH4"	18.033823
"333650"	918.6987495	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H+NH4"	19.041099
"729355"	1373.2878495	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H+NH4"	19.041099
"1482447"	464.1096495	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+NH4"	19.041099
"394564"	1841.345618	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Na"	22.989218
"761756"	2750.523818	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+Na"	22.989218
"1604510"	932.167418	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na"	22.989218
"322080"	921.176447	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H+Na"	23.996494
"711220"	1375.765547	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H+Na"	23.996494
"1461385"	466.587347	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+Na"	23.996494
"1052929"	311.39399	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2H+Na"	25.00377
"1257194"	942.211686	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+CH3OH+H"	33.033486
"377315"	1857.319558	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+K"	38.963158
"738966"	2766.497758	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+K"	38.963158
"1542687"	948.141358	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K"	38.963158
"302415"	929.163417	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H+K"	39.970434
"694107"	1383.752517	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H+K"	39.970434
"1449018"	474.574317	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+K"	39.970434
"238715"	1860.390226	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+ACN+H"	42.033826
"1210934"	951.212026	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+ACN+H"	42.033826
"1195179"	476.109651	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+ACN+2H"	43.041102
"191824"	1863.32756	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2Na-H"	44.97116
"630660"	2772.50576	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2Na-H"	44.97116
"1135991"	954.14936	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2Na-H"	44.97116
"179284"	932.167418	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2Na"	45.978436
"617750"	1386.756518	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2Na"	45.978436
"1123440"	477.578318	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2Na"	45.978436
"1405505"	318.721304	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+2Na"	46.985712
"1432518"	956.190946	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+HCOOH"	47.012746
"224399"	937.20044	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+3H2O+2H"	56.04448
"1511369"	970.24299	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+IsoProp+H"	61.06479
"408621"	940.154388	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Na+K"	61.952376
"770058"	1394.743488	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+Na+K"	61.952376
"1666921"	485.565288	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na+K"	61.952376
"252352"	1882.372168	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+ACN+Na"	64.015768
"1226517"	973.193968	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+ACN+Na"	64.015768
"1714315"	973.217493	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+NH4+HCOOH"	64.039293
"1179061"	326.048618	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+3Na"	68.967654
"1649919"	978.172888	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na+HCOOH"	68.994688
"157430"	1895.27544	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2K-H"	76.91904
"598166"	2804.45364	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2K-H"	76.91904
"1090341"	986.09724	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2K-H"	76.91904
"146065"	948.141358	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2K"	77.926316
"588908"	1402.730458	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2K"	77.926316
"1078889"	493.552258	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2K"	77.926316
"1115223"	988.111792	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2K+H"	78.933592
"1350193"	988.199407	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+DMSO+H"	79.021207
"1019204"	992.238576	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2ACN+H"	83.060376
"1539518"	993.232208	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+IsoProp+Na+H"	84.054008
"1001588"	496.622926	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2ACN+2H"	84.067652
"1596090"	994.146828	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K+HCOOH"	84.968628
"1426125"	1024.178338	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+CF3COOH"	115.000138
"1160789"	517.136201	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+3ACN+2H"	125.094202
"1710339"	1041.204885	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+NH4+CF3COOH"	132.026685
"1643804"	1046.16028	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na+CF3COOH"	136.98208
"1581643"	1062.13422	"C01063"	"6-Carboxyhexanoyl-CoA;Pimeloyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K+CF3COOH"	152.95602
"810917"	112.0524	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M"	0
"981172"	93.03401	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-H2O-H"	-19.01839
"65040"	73.694324	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M-3H"	-3.021828
"504598"	111.045124	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M-3H"	-3.021828
"880139"	36.343524	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-3H"	-3.021828
"324"	111.045124	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M-2H"	-2.014552
"441380"	167.071324	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M-2H"	-2.014552
"819062"	55.018924	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-2H"	-2.014552
"79901"	223.097524	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M-H"	-1.007276
"520437"	335.149924	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M-H"	-1.007276
"897144"	111.045124	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-H"	-1.007276
"49211"	240.124071	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M-2H+NH4"	16.019271
"488526"	352.176471	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M-2H+NH4"	16.019271
"867789"	128.071671	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-2H+NH4"	16.019271
"32528"	245.079466	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M-2H+Na"	20.974666
"472091"	357.131866	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M-2H+Na"	20.974666
"849779"	133.027066	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-2H+Na"	20.974666
"1619314"	133.027066	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Na-2H"	20.974666
"94622"	129.033463	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M-H+Cl"	33.962126
"534630"	185.059663	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M-H+Cl"	33.962126
"927819"	73.007263	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-H+Cl"	33.962126
"267311"	259.074202	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+Cl"	34.969402
"663910"	371.126602	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+Cl"	34.969402
"1275220"	147.021802	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Cl"	34.969402
"31136"	261.053406	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M-2H+K"	36.948606
"471223"	373.105806	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M-2H+K"	36.948606
"848345"	149.001006	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-2H+K"	36.948606
"1570553"	149.001006	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+K-2H"	36.948606
"957462"	157.050594	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-H+HCOOH"	44.998194
"376645"	269.103001	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+HCOOH-H"	44.998201
"358827"	283.118651	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+Hac-H"	59.013851
"1502920"	171.066251	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Hac-H"	59.013851
"969367"	179.032551	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-H+NaCOOH"	66.980151
"120459"	147.021802	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+2Cl"	69.938804
"561113"	203.048002	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+2Cl"	69.938804
"1027725"	90.995602	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2Cl"	69.938804
"1248397"	190.971285	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Br"	78.918885
"1307565"	193.027272	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Cl+HCOOH"	80.974872
"1322874"	215.009229	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Cl+NaCOOH"	102.956829
"911701"	225.037986	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M-H+CF3COOH"	112.985586
"1289300"	261.014664	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Cl+CF3COOH"	148.962264
"1373180"	77.039724	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H-2H2O"	-35.012676
"1392137"	95.0497	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H-H2O"	-17.0027
"291460"	225.112076	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+H"	1.007276
"682790"	337.164476	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+H"	1.007276
"1354763"	113.059676	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H"	1.007276
"128016"	113.059676	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+2H"	2.014552
"570496"	169.085876	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+2H"	2.014552
"1047680"	57.033476	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2H"	2.014552
"212664"	75.708876	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+3H"	3.021828
"650037"	113.059676	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+3H"	3.021828
"1166336"	38.358076	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+3H"	3.021828
"428152"	242.138623	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+NH4"	18.033823
"788422"	354.191023	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+NH4"	18.033823
"1682564"	130.086223	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+NH4"	18.033823
"330480"	121.5729495	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+H+NH4"	19.041099
"723021"	177.5991495	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+H+NH4"	19.041099
"1477328"	65.5467495	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H+NH4"	19.041099
"397593"	247.094018	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+Na"	22.989218
"756765"	359.146418	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+Na"	22.989218
"1603279"	135.041618	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Na"	22.989218
"314336"	124.050647	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+H+Na"	23.996494
"707394"	180.076847	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+H+Na"	23.996494
"1461359"	68.024447	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H+Na"	23.996494
"1053171"	45.68539	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2H+Na"	25.00377
"1258981"	145.085886	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+CH3OH+H"	33.033486
"378285"	263.067958	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+K"	38.963158
"743293"	375.120358	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+K"	38.963158
"1543892"	151.015558	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+K"	38.963158
"299969"	132.037617	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+H+K"	39.970434
"693485"	188.063817	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+H+K"	39.970434
"1448766"	76.011417	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H+K"	39.970434
"237732"	266.138626	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+ACN+H"	42.033826
"1210433"	154.086226	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+ACN+H"	42.033826
"1195169"	77.546751	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+ACN+2H"	43.041102
"189859"	269.07596	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+2Na-H"	44.97116
"635875"	381.12836	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+2Na-H"	44.97116
"1136101"	157.02356	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2Na-H"	44.97116
"175746"	135.041618	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+2Na"	45.978436
"615671"	191.067818	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+2Na"	45.978436
"1121365"	79.015418	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2Na"	45.978436
"1402699"	53.012704	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H+2Na"	46.985712
"1431536"	159.065146	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H+HCOOH"	47.012746
"222324"	140.07464	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+3H2O+2H"	56.04448
"1511844"	173.11719	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+IsoProp+H"	61.06479
"409702"	143.028588	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+Na+K"	61.952376
"771187"	199.054788	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+Na+K"	61.952376
"1667765"	87.002388	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Na+K"	61.952376
"255017"	288.120568	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+ACN+Na"	64.015768
"1225893"	176.068168	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+ACN+Na"	64.015768
"1713329"	176.091693	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+NH4+HCOOH"	64.039293
"1179775"	60.340018	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+3Na"	68.967654
"1650476"	181.047088	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Na+HCOOH"	68.994688
"157620"	301.02384	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+2K-H"	76.91904
"597670"	413.07624	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+2K-H"	76.91904
"1088995"	188.97144	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2K-H"	76.91904
"149457"	151.015558	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"2M+2K"	77.926316
"592300"	207.041758	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"3M+2K"	77.926316
"1074624"	94.989358	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2K"	77.926316
"1114764"	190.985992	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2K+H"	78.933592
"1350668"	191.073607	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+DMSO+H"	79.021207
"1021100"	195.112776	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2ACN+H"	83.060376
"1537438"	196.106408	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+IsoProp+Na+H"	84.054008
"1005346"	98.060026	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+2ACN+2H"	84.067652
"1602646"	197.021028	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+K+HCOOH"	84.968628
"1426240"	227.052538	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+H+CF3COOH"	115.000138
"1158714"	118.573301	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+3ACN+2H"	125.094202
"1711910"	244.079085	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+NH4+CF3COOH"	132.026685
"1637350"	249.03448	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+Na+CF3COOH"	136.98208
"1581752"	265.00842	"C01066"	"Cyclohexane-13-dione;13-Cyclohexanedione;Dihydroresorcinol"	"C6H8O2"	"112.0524"	"M+K+CF3COOH"	152.95602
"811027"	260.0202	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M"	0
"981282"	241.00181	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H2O-H"	-19.01839
"65146"	172.339524	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-3H"	-3.021828
"505802"	259.012924	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-3H"	-3.021828
"882510"	85.666124	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-3H"	-3.021828
"1808"	259.012924	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H"	-2.014552
"446111"	389.023024	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H"	-2.014552
"823913"	129.002824	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H"	-2.014552
"84999"	519.033124	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-H"	-1.007276
"523830"	779.053324	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-H"	-1.007276
"898352"	259.012924	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H"	-1.007276
"49445"	536.059671	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H+NH4"	16.019271
"489491"	796.079871	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H+NH4"	16.019271
"867537"	276.039471	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H+NH4"	16.019271
"38721"	541.015066	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H+Na"	20.974666
"473906"	801.035266	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H+Na"	20.974666
"850250"	280.994866	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H+Na"	20.974666
"1619787"	280.994866	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na-2H"	20.974666
"94736"	277.001263	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-H+Cl"	33.962126
"540620"	407.011363	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-H+Cl"	33.962126
"928054"	146.991163	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+Cl"	33.962126
"268681"	555.009802	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Cl"	34.969402
"661831"	815.030002	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+Cl"	34.969402
"1275331"	294.989602	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl"	34.969402
"31296"	556.989006	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H+K"	36.948606
"470962"	817.009206	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H+K"	36.948606
"847185"	296.968806	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H+K"	36.948606
"1571115"	296.968806	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K-2H"	36.948606
"956843"	305.018394	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+HCOOH"	44.998194
"375542"	565.038601	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+HCOOH-H"	44.998201
"358937"	579.054251	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Hac-H"	59.013851
"1500843"	319.034051	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Hac-H"	59.013851
"969477"	327.000351	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+NaCOOH"	66.980151
"121662"	294.989602	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2Cl"	69.938804
"559036"	424.999702	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2Cl"	69.938804
"1031116"	164.979502	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2Cl"	69.938804
"1250694"	338.939085	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Br"	78.918885
"1308767"	340.995072	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl+HCOOH"	80.974872
"1327358"	362.977029	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl+NaCOOH"	102.956829
"914042"	373.005786	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+CF3COOH"	112.985586
"1292937"	408.982464	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl+CF3COOH"	148.962264
"1371104"	225.007524	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H-2H2O"	-35.012676
"1392975"	243.0175	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H-H2O"	-17.0027
"293756"	521.047676	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H"	1.007276
"683994"	781.067876	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H"	1.007276
"1355238"	261.027476	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H"	1.007276
"128856"	261.027476	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2H"	2.014552
"571699"	391.037576	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2H"	2.014552
"1044874"	131.017376	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2H"	2.014552
"212774"	174.354076	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+3H"	3.021828
"653427"	261.027476	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+3H"	3.021828
"1166445"	87.680676	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+3H"	3.021828
"427169"	538.074223	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+NH4"	18.033823
"790355"	798.094423	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+NH4"	18.033823
"1682431"	278.054023	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+NH4"	18.033823
"331561"	269.5407495	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H+NH4"	19.041099
"723738"	399.5508495	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H+NH4"	19.041099
"1477561"	139.5306495	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+NH4"	19.041099
"394544"	543.029618	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Na"	22.989218
"756511"	803.049818	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+Na"	22.989218
"1604240"	283.009418	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na"	22.989218
"314678"	272.018447	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H+Na"	23.996494
"708153"	402.028547	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H+Na"	23.996494
"1462095"	142.008347	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+Na"	23.996494
"1055592"	95.00799	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2H+Na"	25.00377
"1259455"	293.053686	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+CH3OH+H"	33.033486
"378150"	559.003558	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+K"	38.963158
"744133"	819.023758	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+K"	38.963158
"1542540"	298.983358	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K"	38.963158
"301901"	280.005417	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H+K"	39.970434
"691644"	410.015517	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H+K"	39.970434
"1448143"	149.995317	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+K"	39.970434
"235929"	562.074226	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+ACN+H"	42.033826
"1211267"	302.054026	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+ACN+H"	42.033826
"1195274"	151.530651	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+ACN+2H"	43.041102
"189846"	565.01156	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2Na-H"	44.97116
"635985"	825.03176	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2Na-H"	44.97116
"1136211"	304.99136	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2Na-H"	44.97116
"175856"	283.009418	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2Na"	45.978436
"615782"	413.019518	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2Na"	45.978436
"1117464"	152.999318	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2Na"	45.978436
"1403904"	102.335304	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+2Na"	46.985712
"1432739"	307.032946	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+HCOOH"	47.012746
"226809"	288.04244	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+3H2O+2H"	56.04448
"1509159"	321.08499	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+IsoProp+H"	61.06479
"409079"	290.996388	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Na+K"	61.952376
"770366"	421.006488	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+Na+K"	61.952376
"1670427"	160.986288	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na+K"	61.952376
"254032"	584.056168	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+ACN+Na"	64.015768
"1226491"	324.035968	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+ACN+Na"	64.015768
"1714168"	324.059493	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+NH4+HCOOH"	64.039293
"1179521"	109.662618	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+3Na"	68.967654
"1650141"	329.014888	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na+HCOOH"	68.994688
"157725"	596.95944	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2K-H"	76.91904
"598268"	856.97964	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2K-H"	76.91904
"1089470"	336.93924	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2K-H"	76.91904
"149567"	298.983358	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2K"	77.926316
"593502"	428.993458	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2K"	77.926316
"1074734"	168.973258	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2K"	77.926316
"1112318"	338.953792	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2K+H"	78.933592
"1349434"	339.041407	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+DMSO+H"	79.021207
"1017236"	343.080576	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2ACN+H"	83.060376
"1535358"	344.074208	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+IsoProp+Na+H"	84.054008
"1004605"	172.043926	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2ACN+2H"	84.067652
"1602512"	344.988828	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K+HCOOH"	84.968628
"1425257"	375.020338	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+CF3COOH"	115.000138
"1158824"	192.557201	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+3ACN+2H"	125.094202
"1712021"	392.046885	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+NH4+CF3COOH"	132.026685
"1637461"	397.00228	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na+CF3COOH"	136.98208
"1581862"	412.97622	"C01067"	"D-Galactose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K+CF3COOH"	152.95602
"814419"	232.0348	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M"	0
"984671"	213.01641	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H2O-H"	-19.01839
"75101"	153.682590666667	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-3H"	-3.021828
"516847"	231.027524	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-3H"	-3.021828
"891367"	76.3376573333333	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-3H"	-3.021828
"9942"	231.027524	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H"	-2.014552
"450595"	347.044924	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H"	-2.014552
"825117"	115.010124	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H"	-2.014552
"86202"	463.062324	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-H"	-1.007276
"524669"	695.097124	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-H"	-1.007276
"899555"	231.027524	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H"	-1.007276
"57941"	480.088871	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+NH4"	16.019271
"490577"	712.123671	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+NH4"	16.019271
"877127"	248.054071	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+NH4"	16.019271
"34822"	485.044266	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+Na"	20.974666
"479486"	717.079066	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+Na"	20.974666
"855106"	253.009466	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+Na"	20.974666
"1621355"	253.009466	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na-2H"	20.974666
"96426"	249.015863	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-H+Cl"	33.962126
"538542"	365.033263	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-H+Cl"	33.962126
"928410"	132.998463	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+Cl"	33.962126
"269524"	499.039002	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Cl"	34.969402
"661946"	731.073802	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+Cl"	34.969402
"1287866"	267.004202	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl"	34.969402
"31029"	501.018206	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+K"	36.948606
"471073"	733.053006	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+K"	36.948606
"847781"	268.983406	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+K"	36.948606
"1570050"	268.983406	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K-2H"	36.948606
"957083"	277.032994	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+HCOOH"	44.998194
"376259"	509.067801	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+HCOOH-H"	44.998201
"360506"	523.083451	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Hac-H"	59.013851
"1507151"	291.048651	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Hac-H"	59.013851
"972143"	299.014951	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+NaCOOH"	66.980151
"119588"	267.004202	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Cl"	69.938804
"560241"	383.021602	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Cl"	69.938804
"1035845"	150.986802	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2Cl"	69.938804
"1253720"	310.953685	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Br"	78.918885
"1317262"	313.009672	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+HCOOH"	80.974872
"1326375"	334.991629	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+NaCOOH"	102.956829
"917432"	345.020386	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+CF3COOH"	112.985586
"1297062"	380.997064	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+CF3COOH"	148.962264
"1375588"	197.022124	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H-2H2O"	-35.012676
"1387616"	215.0321	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H-H2O"	-17.0027
"287304"	465.076876	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H"	1.007276
"684101"	697.111676	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H"	1.007276
"1359361"	233.042076	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H"	1.007276
"130060"	233.042076	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2H"	2.014552
"572901"	349.059476	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2H"	2.014552
"1044983"	117.024676	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2H"	2.014552
"209603"	155.697142666667	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H"	3.021828
"646974"	233.042076	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+3H"	3.021828
"1165464"	78.3522093333333	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+3H"	3.021828
"428376"	482.103423	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+NH4"	18.033823
"787548"	714.138223	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+NH4"	18.033823
"1685702"	250.068623	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4"	18.033823
"331060"	241.5553495	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+NH4"	19.041099
"723852"	357.5727495	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+NH4"	19.041099
"1481318"	125.5379495	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+NH4"	19.041099
"394895"	487.058818	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na"	22.989218
"759900"	719.093618	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na"	22.989218
"1610188"	255.024018	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na"	22.989218
"319130"	244.033047	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+Na"	23.996494
"708143"	360.050447	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+Na"	23.996494
"1461724"	128.015647	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+Na"	23.996494
"1053633"	85.6795233333333	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2H+Na"	25.00377
"1261021"	265.068286	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+CH3OH+H"	33.033486
"378866"	503.032758	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+K"	38.963158
"740958"	735.067558	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+K"	38.963158
"1544110"	270.997958	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K"	38.963158
"303105"	252.020017	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+K"	39.970434
"695527"	368.037417	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+K"	39.970434
"1447525"	136.002617	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+K"	39.970434
"236363"	506.103426	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+H"	42.033826
"1210531"	274.068626	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+H"	42.033826
"1196000"	137.537951	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+2H"	43.041102
"197628"	509.04076	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na-H"	44.97116
"635001"	741.07556	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na-H"	44.97116
"1139601"	277.00596	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na-H"	44.97116
"180705"	255.024018	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na"	45.978436
"619171"	371.041418	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na"	45.978436
"1124864"	139.006618	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na"	45.978436
"1409480"	93.0068373333333	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+2Na"	46.985712
"1437221"	279.047546	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+HCOOH"	47.012746
"224732"	260.05704	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H2O+2H"	56.04448
"1512065"	293.09959	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+H"	61.06479
"412843"	263.010988	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na+K"	61.952376
"772747"	379.028388	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na+K"	61.952376
"1668715"	146.993588	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+K"	61.952376
"252563"	528.085368	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+Na"	64.015768
"1227217"	296.050568	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+Na"	64.015768
"1714278"	296.074093	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+HCOOH"	64.039293
"1179022"	100.334151333333	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+3Na"	68.967654
"1650247"	301.029488	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+HCOOH"	68.994688
"157353"	540.98864	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K-H"	76.91904
"598744"	773.02344	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K-H"	76.91904
"1090671"	308.95384	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2K-H"	76.91904
"146758"	270.997958	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K"	77.926316
"587046"	387.015358	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K"	77.926316
"1073748"	154.980558	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2K"	77.926316
"1115500"	310.968392	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2K+H"	78.933592
"1349908"	311.056007	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+DMSO+H"	79.021207
"1020140"	315.095176	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+H"	83.060376
"1533283"	316.088808	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+Na+H"	84.054008
"1004839"	158.051226	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+2H"	84.067652
"1602502"	317.003428	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K+HCOOH"	84.968628
"1429010"	347.034938	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+CF3COOH"	115.000138
"1160028"	178.564501	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+3ACN+2H"	125.094202
"1706296"	364.061485	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+CF3COOH"	132.026685
"1640850"	369.01688	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+CF3COOH"	136.98208
"1575413"	384.99082	"C01068"	"D-Ribitol 5-phosphate;Ribitol 5-phosphate;L-Ribitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K+CF3COOH"	152.95602
"811247"	329.0933	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M"	0
"979314"	310.07491	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-H2O-H"	-19.01839
"66462"	218.388257333333	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M-3H"	-3.021828
"512582"	328.086024	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M-3H"	-3.021828
"891477"	108.690490666667	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-3H"	-3.021828
"7866"	328.086024	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M-2H"	-2.014552
"443050"	492.632674	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M-2H"	-2.014552
"823039"	163.539374	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-2H"	-2.014552
"86312"	657.179324	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M-H"	-1.007276
"523686"	986.272624	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M-H"	-1.007276
"899301"	328.086024	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-H"	-1.007276
"49665"	674.205871	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M-2H+NH4"	16.019271
"488496"	1003.299171	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M-2H+NH4"	16.019271
"868487"	345.112571	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-2H+NH4"	16.019271
"41126"	679.161266	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M-2H+Na"	20.974666
"483968"	1008.254566	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M-2H+Na"	20.974666
"857396"	350.067966	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-2H+Na"	20.974666
"1624741"	350.067966	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Na-2H"	20.974666
"95200"	346.074363	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M-H+Cl"	33.962126
"534391"	510.621013	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M-H+Cl"	33.962126
"927626"	181.527713	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-H+Cl"	33.962126
"268175"	693.156002	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+Cl"	34.969402
"661200"	1022.249302	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+Cl"	34.969402
"1287491"	364.062702	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Cl"	34.969402
"30049"	695.135206	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M-2H+K"	36.948606
"470576"	1024.228506	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M-2H+K"	36.948606
"847768"	366.041906	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-2H+K"	36.948606
"1571067"	366.041906	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+K-2H"	36.948606
"958203"	374.091494	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-H+HCOOH"	44.998194
"376371"	703.184801	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+HCOOH-H"	44.998201
"360618"	717.200451	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+Hac-H"	59.013851
"1507261"	388.107151	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Hac-H"	59.013851
"972617"	396.073451	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-H+NaCOOH"	66.980151
"119698"	364.062702	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+2Cl"	69.938804
"561444"	528.609352	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+2Cl"	69.938804
"1034617"	199.516052	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2Cl"	69.938804
"1255654"	408.012185	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Br"	78.918885
"1316278"	410.068172	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Cl+HCOOH"	80.974872
"1326484"	432.050129	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Cl+NaCOOH"	102.956829
"917545"	442.078886	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M-H+CF3COOH"	112.985586
"1291340"	478.055564	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Cl+CF3COOH"	148.962264
"1373511"	294.080624	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H-2H2O"	-35.012676
"1386996"	312.0906	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H-H2O"	-17.0027
"289600"	659.193876	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+H"	1.007276
"680926"	988.287176	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+H"	1.007276
"1357280"	330.100576	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H"	1.007276
"132355"	330.100576	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+2H"	2.014552
"571918"	494.647226	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+2H"	2.014552
"1045093"	165.553926	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2H"	2.014552
"206797"	220.402809333333	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+3H"	3.021828
"646355"	330.100576	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+3H"	3.021828
"1166303"	110.705042666667	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+3H"	3.021828
"428486"	676.220423	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+NH4"	18.033823
"787296"	1005.313723	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+NH4"	18.033823
"1685812"	347.127123	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+NH4"	18.033823
"331176"	338.6138495	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+H+NH4"	19.041099
"723598"	503.1604995	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+H+NH4"	19.041099
"1483615"	174.0671995	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H+NH4"	19.041099
"397921"	681.175818	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+Na"	22.989218
"760010"	1010.269118	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+Na"	22.989218
"1610298"	352.082518	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Na"	22.989218
"322520"	341.091547	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+H+Na"	23.996494
"708743"	505.638197	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+H+Na"	23.996494
"1462565"	176.544897	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H+Na"	23.996494
"1053987"	118.032356666667	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2H+Na"	25.00377
"1262590"	362.126786	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+CH3OH+H"	33.033486
"379705"	697.149758	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+K"	38.963158
"739733"	1026.243058	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+K"	38.963158
"1544220"	368.056458	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+K"	38.963158
"301759"	349.078517	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+H+K"	39.970434
"694180"	513.625167	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+H+K"	39.970434
"1446906"	184.531867	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H+K"	39.970434
"236354"	700.220426	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+ACN+H"	42.033826
"1210236"	371.127126	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+ACN+H"	42.033826
"1195744"	186.067201	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+ACN+2H"	43.041102
"195552"	703.15776	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+2Na-H"	44.97116
"634018"	1032.25106	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+2Na-H"	44.97116
"1133877"	374.06446	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2Na-H"	44.97116
"174615"	352.082518	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+2Na"	45.978436
"616001"	516.629168	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+2Na"	45.978436
"1118778"	187.535868	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2Na"	45.978436
"1407404"	125.359670666667	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H+2Na"	46.985712
"1436238"	376.106046	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H+HCOOH"	47.012746
"228121"	357.11554	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+3H2O+2H"	56.04448
"1512903"	390.15809	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+IsoProp+H"	61.06479
"410037"	360.069488	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+Na+K"	61.952376
"772129"	524.616138	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+Na+K"	61.952376
"1669920"	195.522838	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Na+K"	61.952376
"253159"	722.202368	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+ACN+Na"	64.015768
"1226353"	393.109068	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+ACN+Na"	64.015768
"1712857"	393.132593	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+NH4+HCOOH"	64.039293
"1179742"	132.686984666667	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+3Na"	68.967654
"1650603"	398.087988	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Na+HCOOH"	68.994688
"157301"	735.10564	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+2K-H"	76.91904
"598976"	1064.19894	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+2K-H"	76.91904
"1090416"	406.01234	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2K-H"	76.91904
"145775"	368.056458	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"2M+2K"	77.926316
"587156"	532.603108	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"3M+2K"	77.926316
"1073857"	203.509808	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2K"	77.926316
"1115613"	408.026892	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2K+H"	78.933592
"1349897"	408.114507	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+DMSO+H"	79.021207
"1019641"	412.153676	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2ACN+H"	83.060376
"1532300"	413.147308	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+IsoProp+Na+H"	84.054008
"1004217"	206.580476	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+2ACN+2H"	84.067652
"1601758"	414.061928	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+K+HCOOH"	84.968628
"1428392"	444.093438	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+H+CF3COOH"	115.000138
"1161230"	227.093751	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+3ACN+2H"	125.094202
"1709686"	461.119985	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+NH4+CF3COOH"	132.026685
"1637680"	466.07538	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+Na+CF3COOH"	136.98208
"1573336"	482.04932	"C01069"	"Desulfoglucotropeolin"	"C14H19NO6S"	"329.0933"	"M+K+CF3COOH"	152.95602
"811359"	131.0582	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M"	0
"975415"	112.03981	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"64748"	86.3648573333333	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"504309"	130.050924	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"881018"	42.6787906666667	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"2509"	130.050924	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"445348"	195.580024	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"824243"	64.521824	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"86422"	261.109124	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"530357"	392.167324	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"899775"	130.050924	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"50142"	278.135671	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"490795"	409.193871	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"867139"	147.077471	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"39050"	283.091066	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"477517"	414.149266	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"850220"	152.032866	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1619021"	152.032866	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"97016"	148.039263	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"535235"	213.568363	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"928266"	82.510163	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"268653"	297.085802	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"674204"	428.144002	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1288077"	166.027602	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"31393"	299.065006	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"471358"	430.123206	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"848403"	168.006806	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1571111"	168.006806	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"957780"	176.056394	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"374654"	307.114601	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"359633"	321.130251	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1505547"	190.072051	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"964341"	198.038351	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"117621"	166.027602	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"557181"	231.556702	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1029259"	100.498502	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1247743"	209.977085	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1318575"	212.033072	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1324410"	234.015029	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"920938"	244.043786	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1297650"	280.020464	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1375809"	96.045524	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1392211"	114.0555	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"284971"	263.123676	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"678853"	394.181876	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1353742"	132.065476	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"128088"	132.065476	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"567287"	197.594576	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1039737"	66.536376	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"206664"	88.3794093333333	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"650480"	132.065476	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1168603"	44.6933426666667	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"428598"	280.150223	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"787407"	411.208423	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1681913"	149.092023	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"330312"	140.5787495	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"725533"	206.1078495	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1488102"	75.0496495	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"402408"	285.105618	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"756840"	416.163818	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1603845"	154.047418	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"318257"	143.056447	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"710680"	208.585547	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1465594"	77.527347	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1053734"	52.0206566666667	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1262700"	164.091686	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"379091"	301.079558	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"740090"	432.137758	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1540438"	170.021358	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"300044"	151.043417	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"691504"	216.572517	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1445610"	85.514317	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"235851"	304.150226	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1211233"	173.092026	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1194510"	87.049651	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"189449"	307.08756	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"633034"	438.14576	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1133625"	176.02936	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"173874"	154.047418	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"616110"	219.576518	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1123989"	88.518318	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1405325"	59.3479706666667	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1434161"	178.070946	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"220616"	159.08044	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1510096"	192.12299	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"410147"	162.034388	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"771146"	227.563488	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1671124"	96.505288	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"251645"	326.132168	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1225730"	195.073968	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1720332"	195.097493	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1178676"	66.6752846666667	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1652300"	200.052888	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"157457"	339.03544	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"601279"	470.09364	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1087978"	207.97724	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"147710"	170.021358	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"586541"	235.550458	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1073971"	104.492258	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1107183"	209.991792	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1350981"	210.079407	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1019751"	214.118576	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1532410"	215.112208	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"1002139"	107.562926	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1601017"	216.026828	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1422299"	246.058338	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1159151"	128.076201	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1702139"	263.084885	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1637063"	268.04028	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1582196"	284.01422	"C01073"	"N-Acetyl-beta-alanine"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"806003"	259.0362	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M"	0
"976255"	240.01781	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-H2O-H"	-19.01839
"65586"	171.683524	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M-3H"	-3.021828
"507334"	258.028924	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M-3H"	-3.021828
"886230"	85.338124	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-3H"	-3.021828
"3712"	258.028924	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M-2H"	-2.014552
"450925"	387.547024	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M-2H"	-2.014552
"826541"	128.510824	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-2H"	-2.014552
"86532"	517.065124	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M-H"	-1.007276
"524999"	776.101324	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M-H"	-1.007276
"900614"	258.028924	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-H"	-1.007276
"52803"	534.091671	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M-2H+NH4"	16.019271
"491270"	793.127871	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M-2H+NH4"	16.019271
"867979"	275.055471	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-2H+NH4"	16.019271
"38066"	539.047066	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M-2H+Na"	20.974666
"477627"	798.083266	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M-2H+Na"	20.974666
"852148"	280.010866	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-2H+Na"	20.974666
"1620589"	280.010866	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Na-2H"	20.974666
"97120"	276.017263	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M-H+Cl"	33.962126
"535589"	405.535363	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M-H+Cl"	33.962126
"927769"	146.499163	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-H+Cl"	33.962126
"267147"	553.041802	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+Cl"	34.969402
"661186"	812.078002	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+Cl"	34.969402
"1273139"	294.005602	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Cl"	34.969402
"29638"	555.021006	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M-2H+K"	36.948606
"468835"	814.057206	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M-2H+K"	36.948606
"846270"	295.984806	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-2H+K"	36.948606
"1570368"	295.984806	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+K-2H"	36.948606
"958132"	304.034394	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-H+HCOOH"	44.998194
"376794"	563.070601	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+HCOOH-H"	44.998201
"359012"	577.086251	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+Hac-H"	59.013851
"1505295"	318.050051	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Hac-H"	59.013851
"968822"	326.016351	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-H+NaCOOH"	66.980151
"122103"	294.005602	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+2Cl"	69.938804
"564943"	423.523702	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+2Cl"	69.938804
"1034836"	164.487502	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2Cl"	69.938804
"1252228"	337.955085	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Br"	78.918885
"1308116"	340.011072	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Cl+HCOOH"	80.974872
"1333639"	361.993029	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Cl+NaCOOH"	102.956829
"922874"	372.021786	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M-H+CF3COOH"	112.985586
"1299947"	407.998464	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Cl+CF3COOH"	148.962264
"1377012"	224.023524	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H-2H2O"	-35.012676
"1386854"	242.0335	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H-H2O"	-17.0027
"287634"	519.079676	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+H"	1.007276
"676774"	778.115876	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+H"	1.007276
"1354216"	260.043476	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H"	1.007276
"129296"	260.043476	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+2H"	2.014552
"566470"	389.561576	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+2H"	2.014552
"1038142"	130.525376	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2H"	2.014552
"206046"	173.698076	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+3H"	3.021828
"645364"	260.043476	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+3H"	3.021828
"1164342"	87.352676	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+3H"	3.021828
"425550"	536.106223	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+NH4"	18.033823
"788610"	795.142423	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+NH4"	18.033823
"1684209"	277.070023	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+NH4"	18.033823
"331395"	268.5567495	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+H+NH4"	19.041099
"726736"	398.0748495	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+H+NH4"	19.041099
"1490763"	139.0386495	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H+NH4"	19.041099
"398142"	541.061618	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+Na"	22.989218
"760231"	800.097818	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+Na"	22.989218
"1606142"	282.025418	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Na"	22.989218
"317274"	271.034447	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+H+Na"	23.996494
"712976"	400.552547	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+H+Na"	23.996494
"1467891"	141.516347	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H+Na"	23.996494
"1056760"	94.67999	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2H+Na"	25.00377
"1262810"	292.069686	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+CH3OH+H"	33.033486
"381021"	557.035558	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+K"	38.963158
"743476"	816.071758	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+K"	38.963158
"1541159"	297.999358	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+K"	38.963158
"299793"	279.021417	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+H+K"	39.970434
"691523"	408.539517	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+H+K"	39.970434
"1446146"	149.503317	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H+K"	39.970434
"236206"	560.106226	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+ACN+H"	42.033826
"1210735"	301.070026	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+ACN+H"	42.033826
"1194866"	151.038651	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+ACN+2H"	43.041102
"192493"	563.04356	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+2Na-H"	44.97116
"630229"	822.07976	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+2Na-H"	44.97116
"1133371"	304.00736	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2Na-H"	44.97116
"177754"	282.025418	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+2Na"	45.978436
"616220"	411.543518	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+2Na"	45.978436
"1120819"	152.507318	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2Na"	45.978436
"1409083"	102.007304	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H+2Na"	46.985712
"1430092"	306.048946	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H+HCOOH"	47.012746
"222874"	287.05844	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+3H2O+2H"	56.04448
"1512029"	320.10099	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+IsoProp+H"	61.06479
"409535"	290.012388	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+Na+K"	61.952376
"771623"	419.530488	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+Na+K"	61.952376
"1669048"	160.494288	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Na+K"	61.952376
"252161"	582.088168	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+ACN+Na"	64.015768
"1225632"	323.051968	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+ACN+Na"	64.015768
"1713881"	323.075493	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+NH4+HCOOH"	64.039293
"1178948"	109.334618	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+3Na"	68.967654
"1653139"	328.030888	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Na+HCOOH"	68.994688
"163652"	594.99144	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+2K-H"	76.91904
"602118"	854.02764	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+2K-H"	76.91904
"1092095"	335.95524	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2K-H"	76.91904
"148912"	297.999358	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"2M+2K"	77.926316
"589566"	427.517458	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"3M+2K"	77.926316
"1077360"	168.481258	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2K"	77.926316
"1108383"	337.969792	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2K+H"	78.933592
"1345861"	338.057407	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+DMSO+H"	79.021207
"1015488"	342.096576	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2ACN+H"	83.060376
"1534704"	343.090208	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+IsoProp+Na+H"	84.054008
"1002249"	171.551926	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+2ACN+2H"	84.067652
"1596751"	344.004828	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+K+HCOOH"	84.968628
"1421316"	374.036338	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+H+CF3COOH"	115.000138
"1153791"	192.065201	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+3ACN+2H"	125.094202
"1706628"	391.062885	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+NH4+CF3COOH"	132.026685
"1649822"	396.01828	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+Na+CF3COOH"	136.98208
"1585587"	411.99222	"C01075"	"N-Sulfo-D-glucosamine"	"C6H13NO8S"	"259.0362"	"M+K+CF3COOH"	152.95602
"812675"	161.0688	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M"	0
"986207"	142.05041	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"68983"	106.371924	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"506355"	160.061524	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"884156"	52.682324	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"4917"	160.061524	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"445571"	240.595924	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"828838"	79.527124	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"86645"	321.130324	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"525112"	482.199124	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"902913"	160.061524	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"54007"	338.156871	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"500129"	499.225671	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"871371"	177.088071	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"37081"	343.112266	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"473853"	504.181066	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"850318"	182.043466	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1620701"	182.043466	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"95044"	178.049863	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"535340"	258.584263	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"928130"	97.515463	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"272157"	357.107002	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"665671"	518.175802	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1285369"	196.038202	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"31014"	359.086206	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"470771"	520.155006	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"848090"	198.017406	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1570244"	198.017406	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"957032"	206.066994	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"375611"	367.135801	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"360831"	381.151451	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1503581"	220.082651	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"972947"	228.048951	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"117842"	196.038202	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"563238"	276.572602	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1034949"	115.503802	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1247966"	239.987685	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1317718"	242.043672	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1334119"	264.025629	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"922986"	274.054386	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1298963"	310.031064	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1373842"	126.056124	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1391340"	144.0661	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"287748"	323.144876	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"679077"	484.213676	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1360895"	162.076076	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"139620"	162.076076	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"571160"	242.610476	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1041052"	81.541676	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"207860"	108.386476	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"645355"	162.076076	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1164817"	54.696876	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"424564"	340.171423	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"787630"	501.240223	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1691616"	179.102623	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"343908"	170.5893495	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"737543"	251.1237495	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1490511"	90.0549495	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"408426"	345.126818	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"769703"	506.195618	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1616097"	184.058018	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"328080"	173.067047	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"718558"	253.601447	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1472378"	92.532647	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1062343"	62.02419	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1264023"	194.102286	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"385876"	361.100758	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"744688"	522.169558	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1545646"	200.031958	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"302458"	181.054017	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"693054"	261.588417	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1450158"	100.519617	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"238757"	364.171426	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1212563"	203.102626	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1201917"	102.054951	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"196976"	367.10876	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"633254"	528.17756	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1133481"	206.03996	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"175678"	184.058018	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"619612"	264.592418	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1122023"	103.523618	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1407733"	69.351504	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1431101"	208.081546	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"228451"	189.09104	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1512146"	222.13359	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"416208"	192.044988	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"770095"	272.579388	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1666972"	111.510588	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"253492"	386.153368	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1227658"	225.084568	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1716183"	225.108093	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1181169"	76.678818	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1652155"	230.063488	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"157557"	399.05664	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"600038"	560.12544	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1088196"	237.98784	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"147930"	200.031958	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"585664"	280.566358	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1073459"	119.497558	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1104119"	240.002392	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1344877"	240.090007	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1015596"	244.129176	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1535910"	245.122808	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"1000170"	122.568226	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1590297"	246.037428	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1420333"	276.068938	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1152810"	143.081501	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1701268"	293.095485	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1641300"	298.05088	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1575856"	314.02482	"C01077"	"O-Acetyl-L-homoserine;O-Acetylhomoserine"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"803307"	568.305	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M"	0
"979756"	549.28661	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-H2O-H"	-19.01839
"65078"	377.862724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M-3H"	-3.021828
"503907"	567.297724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M-3H"	-3.021828
"881467"	188.427724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-3H"	-3.021828
"2837"	567.297724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M-2H"	-2.014552
"444585"	851.450224	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M-2H"	-2.014552
"823479"	283.145224	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-2H"	-2.014552
"85659"	1135.602724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M-H"	-1.007276
"521945"	1703.907724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M-H"	-1.007276
"901928"	567.297724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-H"	-1.007276
"54118"	1152.629271	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M-2H+NH4"	16.019271
"499146"	1720.934271	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M-2H+NH4"	16.019271
"871479"	584.324271	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-2H+NH4"	16.019271
"33922"	1157.584666	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M-2H+Na"	20.974666
"474327"	1725.889666	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M-2H+Na"	20.974666
"851643"	589.279666	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-2H+Na"	20.974666
"1620812"	589.279666	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Na-2H"	20.974666
"97349"	585.286063	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M-H+Cl"	33.962126
"535936"	869.438563	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M-H+Cl"	33.962126
"941497"	301.133563	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-H+Cl"	33.962126
"281876"	1171.579402	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+Cl"	34.969402
"671619"	1739.884402	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+Cl"	34.969402
"1287676"	603.274402	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Cl"	34.969402
"31165"	1173.558606	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M-2H+K"	36.948606
"471007"	1741.863606	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M-2H+K"	36.948606
"848199"	605.253606	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-2H+K"	36.948606
"1571038"	605.253606	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+K-2H"	36.948606
"956040"	613.303194	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-H+HCOOH"	44.998194
"374986"	1181.608201	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+HCOOH-H"	44.998201
"354858"	1195.623851	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+Hac-H"	59.013851
"1504055"	627.318851	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Hac-H"	59.013851
"971595"	635.285151	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-H+NaCOOH"	66.980151
"122324"	603.274402	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+2Cl"	69.938804
"559698"	887.426902	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+2Cl"	69.938804
"1031055"	319.121902	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2Cl"	69.938804
"1251367"	647.223885	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Br"	78.918885
"1319812"	649.279872	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Cl+HCOOH"	80.974872
"1331674"	671.261829	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Cl+NaCOOH"	102.956829
"920178"	681.290586	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M-H+CF3COOH"	112.985586
"1297982"	717.267264	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Cl+CF3COOH"	148.962264
"1372861"	533.292324	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H-2H2O"	-35.012676
"1389268"	551.3023	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H-H2O"	-17.0027
"290046"	1137.617276	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+H"	1.007276
"687938"	1705.922276	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+H"	1.007276
"1362105"	569.312276	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H"	1.007276
"129525"	569.312276	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+2H"	2.014552
"572364"	853.464776	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+2H"	2.014552
"1044444"	285.159776	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2H"	2.014552
"213440"	379.877276	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+3H"	3.021828
"650814"	569.312276	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+3H"	3.021828
"1167845"	190.442276	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+3H"	3.021828
"432213"	1154.643823	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+NH4"	18.033823
"791021"	1722.948823	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+NH4"	18.033823
"1696100"	586.338823	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+NH4"	18.033823
"338911"	577.8255495	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+H+NH4"	19.041099
"733519"	861.9780495	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+H+NH4"	19.041099
"1481871"	293.6730495	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H+NH4"	19.041099
"401644"	1159.599218	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+Na"	22.989218
"763737"	1727.904218	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+Na"	22.989218
"1606732"	591.294218	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Na"	22.989218
"329406"	580.303247	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+H+Na"	23.996494
"718667"	864.455747	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+H+Na"	23.996494
"1464834"	296.150747	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H+Na"	23.996494
"1058080"	197.76959	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2H+Na"	25.00377
"1264133"	601.338486	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+CH3OH+H"	33.033486
"384894"	1175.573158	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+K"	38.963158
"742610"	1743.878158	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+K"	38.963158
"1545755"	607.268158	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+K"	38.963158
"299408"	588.290217	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+H+K"	39.970434
"692071"	872.442717	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+H+K"	39.970434
"1447715"	304.137717	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H+K"	39.970434
"241057"	1178.643826	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+ACN+H"	42.033826
"1213770"	610.338826	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+ACN+H"	42.033826
"1198747"	305.673051	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+ACN+2H"	43.041102
"191616"	1181.58116	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+2Na-H"	44.97116
"630084"	1749.88616	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+2Na-H"	44.97116
"1132128"	613.27616	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2Na-H"	44.97116
"177972"	591.294218	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+2Na"	45.978436
"615345"	875.446718	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+2Na"	45.978436
"1117759"	307.141718	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2Na"	45.978436
"1404563"	205.096904	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H+2Na"	46.985712
"1435585"	615.317746	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H+HCOOH"	47.012746
"226380"	596.32724	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+3H2O+2H"	56.04448
"1512258"	629.36979	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+IsoProp+H"	61.06479
"413038"	599.281188	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+Na+K"	61.952376
"769992"	883.433688	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+Na+K"	61.952376
"1666351"	315.128688	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Na+K"	61.952376
"253234"	1200.625768	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+ACN+Na"	64.015768
"1229591"	632.320768	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+ACN+Na"	64.015768
"1718477"	632.344293	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+NH4+HCOOH"	64.039293
"1181277"	212.424218	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+3Na"	68.967654
"1652263"	637.299688	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Na+HCOOH"	68.994688
"158881"	1213.52904	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+2K-H"	76.91904
"602340"	1781.83404	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+2K-H"	76.91904
"1090132"	645.22404	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2K-H"	76.91904
"146946"	607.268158	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"2M+2K"	77.926316
"585413"	891.420658	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"3M+2K"	77.926316
"1074301"	323.115658	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2K"	77.926316
"1106416"	647.238592	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2K+H"	78.933592
"1346081"	647.326207	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+DMSO+H"	79.021207
"1010237"	651.365376	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2ACN+H"	83.060376
"1534929"	652.359008	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+IsoProp+Na+H"	84.054008
"997001"	326.186326	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+2ACN+2H"	84.067652
"1593694"	653.273628	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+K+HCOOH"	84.968628
"1424822"	683.305138	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+H+CF3COOH"	115.000138
"1149642"	346.699601	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+3ACN+2H"	125.094202
"1710135"	700.331685	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+NH4+CF3COOH"	132.026685
"1641410"	705.28708	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+Na+CF3COOH"	136.98208
"1575968"	721.26102	"C01079"	"Protoporphyrinogen IX"	"C34H40N4O4"	"568.305"	"M+K+CF3COOH"	152.95602
"804147"	775.1949	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M"	0
"979866"	756.17651	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-H2O-H"	-19.01839
"65918"	515.789324	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M-3H"	-3.021828
"507665"	774.187624	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M-3H"	-3.021828
"884375"	257.391024	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-3H"	-3.021828
"2950"	774.187624	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M-2H"	-2.014552
"445791"	1161.785074	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M-2H"	-2.014552
"821405"	386.590174	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-2H"	-2.014552
"82491"	1549.382524	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M-H"	-1.007276
"522056"	2324.577424	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M-H"	-1.007276
"907508"	774.187624	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-H"	-1.007276
"53135"	1566.409071	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M-2H+NH4"	16.019271
"494882"	2341.603971	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M-2H+NH4"	16.019271
"870496"	791.214171	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-2H+NH4"	16.019271
"34396"	1571.364466	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M-2H+Na"	20.974666
"474318"	2346.559366	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M-2H+Na"	20.974666
"851025"	796.169566	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-2H+Na"	20.974666
"1622381"	796.169566	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Na-2H"	20.974666
"100742"	792.175963	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M-H+Cl"	33.962126
"541397"	1179.773413	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M-H+Cl"	33.962126
"932723"	404.578513	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-H+Cl"	33.962126
"282641"	1585.359202	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+Cl"	34.969402
"675308"	2360.554102	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+Cl"	34.969402
"1287903"	810.164302	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Cl"	34.969402
"31251"	1587.338406	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M-2H+K"	36.948606
"471241"	2362.533306	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M-2H+K"	36.948606
"848465"	812.143506	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-2H+K"	36.948606
"1571065"	812.143506	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+K-2H"	36.948606
"957247"	820.193094	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-H+HCOOH"	44.998194
"376883"	1595.388001	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+HCOOH-H"	44.998201
"356427"	1609.403651	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+Hac-H"	59.013851
"1505991"	834.208751	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Hac-H"	59.013851
"970614"	842.175051	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-H+NaCOOH"	66.980151
"122072"	810.164302	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+2Cl"	69.938804
"557623"	1197.761752	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+2Cl"	69.938804
"1033717"	422.566852	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2Cl"	69.938804
"1253301"	854.113785	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Br"	78.918885
"1317936"	856.169772	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Cl+HCOOH"	80.974872
"1331422"	878.151729	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Cl+NaCOOH"	102.956829
"924667"	888.180486	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M-H+CF3COOH"	112.985586
"1301374"	924.157164	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Cl+CF3COOH"	148.962264
"1374067"	740.182224	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H-2H2O"	-35.012676
"1395940"	758.1922	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H-H2O"	-17.0027
"294533"	1551.397076	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+H"	1.007276
"689872"	2326.591976	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+H"	1.007276
"1362944"	776.202176	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H"	1.007276
"136196"	776.202176	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+2H"	2.014552
"570288"	1163.799626	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+2H"	2.014552
"1046743"	388.604726	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2H"	2.014552
"215740"	517.803876	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+3H"	3.021828
"655302"	776.202176	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+3H"	3.021828
"1173061"	259.405576	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+3H"	3.021828
"435605"	1568.423623	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+NH4"	18.033823
"796599"	2343.618523	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+NH4"	18.033823
"1695122"	793.228723	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+NH4"	18.033823
"341944"	784.7154495	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+H+NH4"	19.041099
"735817"	1172.3128995	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+H+NH4"	19.041099
"1488543"	397.1179995	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H+NH4"	19.041099
"400662"	1573.379018	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+Na"	22.989218
"763847"	2348.573918	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+Na"	22.989218
"1613038"	798.184118	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Na"	22.989218
"329354"	787.193147	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+H+Na"	23.996494
"719871"	1174.790597	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+H+Na"	23.996494
"1467132"	399.595697	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H+Na"	23.996494
"1060379"	266.73289	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2H+Na"	25.00377
"1266430"	808.228386	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+CH3OH+H"	33.033486
"383910"	1589.352958	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+K"	38.963158
"747093"	2364.547858	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+K"	38.963158
"1549145"	814.158058	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+K"	38.963158
"308509"	795.180117	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+H+K"	39.970434
"695464"	1182.777567	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+H+K"	39.970434
"1449648"	407.582667	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H+K"	39.970434
"244447"	1592.423626	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+ACN+H"	42.033826
"1218254"	817.228726	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+ACN+H"	42.033826
"1202137"	409.118001	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+ACN+2H"	43.041102
"193914"	1595.36096	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+2Na-H"	44.97116
"631287"	2370.55586	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+2Na-H"	44.97116
"1135887"	820.16606	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2Na-H"	44.97116
"180270"	798.184118	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+2Na"	45.978436
"617641"	1185.781568	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+2Na"	45.978436
"1121149"	410.586668	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2Na"	45.978436
"1407953"	274.060204	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H+2Na"	46.985712
"1433508"	822.207646	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H+HCOOH"	47.012746
"227583"	803.21714	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+3H2O+2H"	56.04448
"1517835"	836.25969	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+IsoProp+H"	61.06479
"416428"	806.171088	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+Na+K"	61.952376
"775236"	1193.768538	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+Na+K"	61.952376
"1670473"	418.573638	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Na+K"	61.952376
"258085"	1614.405568	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+ACN+Na"	64.015768
"1228972"	839.210668	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+ACN+Na"	64.015768
"1717494"	839.234193	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+NH4+HCOOH"	64.039293
"1185035"	281.387518	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+3Na"	68.967654
"1653830"	844.189588	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Na+HCOOH"	68.994688
"161421"	1627.30884	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+2K-H"	76.91904
"604636"	2402.50374	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+2K-H"	76.91904
"1091336"	852.11394	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2K-H"	76.91904
"149243"	814.158058	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"2M+2K"	77.926316
"590992"	1201.755508	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"3M+2K"	77.926316
"1075504"	426.560608	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2K"	77.926316
"1108713"	854.128492	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2K+H"	78.933592
"1346191"	854.216107	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+DMSO+H"	79.021207
"1013627"	858.255276	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2ACN+H"	83.060376
"1537226"	859.248908	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+IsoProp+Na+H"	84.054008
"999297"	429.631276	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+2ACN+2H"	84.067652
"1593803"	860.163528	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+K+HCOOH"	84.968628
"1424932"	890.195038	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+H+CF3COOH"	115.000138
"1154126"	450.144551	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+3ACN+2H"	125.094202
"1704775"	907.221585	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+NH4+CF3COOH"	132.026685
"1641520"	912.17698	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+Na+CF3COOH"	136.98208
"1576078"	928.15092	"C01080"	"Reduced coenzyme F420"	"C29H38N5O18P"	"775.1949"	"M+K+CF3COOH"	152.95602
"803163"	345.0786	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M"	0
"979976"	326.06021	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-H2O-H"	-19.01839
"62899"	229.045124	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M-3H"	-3.021828
"503156"	344.071324	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M-3H"	-3.021828
"880837"	114.018924	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-3H"	-3.021828
"749"	344.071324	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M-2H"	-2.014552
"440474"	516.610624	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M-2H"	-2.014552
"819325"	171.532024	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-2H"	-2.014552
"78747"	689.149924	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M-H"	-1.007276
"521437"	1034.228524	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M-H"	-1.007276
"898871"	344.071324	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-H"	-1.007276
"51057"	706.176471	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M-2H+NH4"	16.019271
"490619"	1051.255071	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M-2H+NH4"	16.019271
"869514"	361.097871	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-2H+NH4"	16.019271
"34503"	711.131866	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M-2H+Na"	20.974666
"474428"	1056.210466	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M-2H+Na"	20.974666
"850044"	366.053266	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-2H+Na"	20.974666
"1620304"	366.053266	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Na-2H"	20.974666
"100852"	362.059663	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M-H+Cl"	33.962126
"545519"	534.598963	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M-H+Cl"	33.962126
"935023"	189.520363	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-H+Cl"	33.962126
"277590"	725.126602	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+Cl"	34.969402
"675639"	1070.205202	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+Cl"	34.969402
"1288380"	380.048002	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Cl"	34.969402
"31413"	727.105806	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M-2H+K"	36.948606
"471352"	1072.184406	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M-2H+K"	36.948606
"848096"	382.027206	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-2H+K"	36.948606
"1571275"	382.027206	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+K-2H"	36.948606
"957356"	390.076794	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-H+HCOOH"	44.998194
"377099"	735.155401	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+HCOOH-H"	44.998201
"361303"	749.171051	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+Hac-H"	59.013851
"1508088"	404.092451	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Hac-H"	59.013851
"973279"	412.058751	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-H+NaCOOH"	66.980151
"124005"	380.048002	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+2Cl"	69.938804
"563566"	552.587302	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+2Cl"	69.938804
"1035654"	207.508702	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2Cl"	69.938804
"1253411"	423.997485	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Br"	78.918885
"1318412"	426.053472	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Cl+HCOOH"	80.974872
"1331532"	448.035429	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Cl+NaCOOH"	102.956829
"926965"	458.064186	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M-H+CF3COOH"	112.985586
"1302580"	494.040864	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Cl+CF3COOH"	148.962264
"1380011"	310.065924	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H-2H2O"	-35.012676
"1397143"	328.0759	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H-H2O"	-17.0027
"296466"	691.164476	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+H"	1.007276
"691075"	1036.243076	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+H"	1.007276
"1364147"	346.085876	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H"	1.007276
"136306"	346.085876	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+2H"	2.014552
"573678"	518.625176	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+2H"	2.014552
"1046853"	173.546576	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2H"	2.014552
"215848"	231.059676	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+3H"	3.021828
"655412"	346.085876	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+3H"	3.021828
"1171348"	116.033476	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+3H"	3.021828
"436811"	708.191023	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+NH4"	18.033823
"798898"	1053.269623	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+NH4"	18.033823
"1694502"	363.112423	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+NH4"	18.033823
"344601"	354.5991495	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+H+NH4"	19.041099
"736657"	527.1384495	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+H+NH4"	19.041099
"1490842"	182.0598495	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H+NH4"	19.041099
"407334"	713.146418	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+Na"	22.989218
"763958"	1058.225018	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+Na"	22.989218
"1613149"	368.067818	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Na"	22.989218
"327560"	357.076847	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+H+Na"	23.996494
"713420"	529.616147	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+H+Na"	23.996494
"1467241"	184.537547	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H+Na"	23.996494
"1061582"	123.36079	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2H+Na"	25.00377
"1264353"	378.112086	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+CH3OH+H"	33.033486
"382927"	729.120358	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+K"	38.963158
"745017"	1074.198958	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+K"	38.963158
"1548163"	384.041758	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+K"	38.963158
"306434"	365.063817	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+H+K"	39.970434
"695574"	537.603117	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+H+K"	39.970434
"1448665"	192.524517	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H+K"	39.970434
"240184"	732.191026	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+ACN+H"	42.033826
"1219455"	387.112426	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+ACN+H"	42.033826
"1201154"	194.059851	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+ACN+2H"	43.041102
"192929"	735.12836	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+2Na-H"	44.97116
"630666"	1080.20696	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+2Na-H"	44.97116
"1135997"	390.04976	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2Na-H"	44.97116
"176006"	368.067818	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+2Na"	45.978436
"619940"	540.607118	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+2Na"	45.978436
"1121260"	195.528518	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2Na"	45.978436
"1405877"	130.688104	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H+2Na"	46.985712
"1436900"	392.091346	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H+HCOOH"	47.012746
"224413"	373.10084	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+3H2O+2H"	56.04448
"1514662"	406.14339	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+IsoProp+H"	61.06479
"416538"	376.054788	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+Na+K"	61.952376
"777532"	548.594088	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+Na+K"	61.952376
"1670581"	203.515488	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Na+K"	61.952376
"257099"	754.172968	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+ACN+Na"	64.015768
"1231629"	409.094368	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+ACN+Na"	64.015768
"1716874"	409.117893	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+NH4+HCOOH"	64.039293
"1182958"	138.015418	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+3Na"	68.967654
"1655762"	414.073288	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Na+HCOOH"	68.994688
"162258"	767.07624	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+2K-H"	76.91904
"604745"	1112.15484	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+2K-H"	76.91904
"1093634"	421.99764	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2K-H"	76.91904
"151542"	384.041758	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"2M+2K"	77.926316
"592197"	556.581058	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"3M+2K"	77.926316
"1075614"	211.502458	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2K"	77.926316
"1108823"	424.012192	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2K+H"	78.933592
"1343020"	424.099807	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+DMSO+H"	79.021207
"1013737"	428.138976	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2ACN+H"	83.060376
"1535147"	429.132608	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+IsoProp+Na+H"	84.054008
"998313"	214.573126	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+2ACN+2H"	84.067652
"1595006"	430.047228	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+K+HCOOH"	84.968628
"1426135"	460.078738	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+H+CF3COOH"	115.000138
"1154236"	235.086401	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+3ACN+2H"	125.094202
"1711447"	477.105285	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+NH4+CF3COOH"	132.026685
"1640537"	482.06068	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+Na+CF3COOH"	136.98208
"1576188"	498.03462	"C01081"	"Thiamin monophosphate;Thiamine monophosphate;Thiamin phosphate;Thiamine phosphate;TMP"	"C12H18N4O4PS"	"345.0786"	"M+K+CF3COOH"	152.95602
"801395"	342.1162	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M"	0
"974232"	323.09781	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"63029"	227.070190666667	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"502954"	341.108924	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"880218"	113.031457333333	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"164"	341.108924	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"441638"	512.167024	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"818705"	170.050824	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"78628"	683.225124	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"521547"	1025.341324	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"897888"	341.108924	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"49342"	700.251671	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"489997"	1042.367871	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"869625"	358.135471	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"34249"	705.207066	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"472350"	1047.323266	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"850516"	363.090866	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1622238"	363.090866	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"100962"	359.097263	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"546358"	530.155363	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"935133"	188.039163	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"277700"	719.201802	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"675236"	1061.318002	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1288088"	377.085602	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"31091"	721.181006	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"471057"	1063.297206	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"848329"	379.064806	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1571044"	379.064806	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"956006"	387.114394	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"376900"	729.230601	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"359200"	743.246251	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1508361"	401.130051	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"973145"	409.096351	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"123996"	377.085602	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"562947"	548.143702	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1035400"	206.027502	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1253516"	421.035085	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1319248"	423.091072	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1334924"	445.073029	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"926836"	455.101786	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1301232"	491.078464	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1380485"	307.103524	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1392881"	325.1135	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"296576"	685.239676	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"688273"	1027.355876	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1362435"	343.123476	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"136416"	343.123476	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"573788"	514.181576	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1046963"	172.065376	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"215958"	229.084742666667	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"655522"	343.123476	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1172551"	115.046009333333	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"436921"	702.266223	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"799008"	1044.382423	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1695341"	360.150023	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"343983"	351.6367495	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"736039"	522.6948495	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1489859"	180.5786495	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"406353"	707.221618	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"760788"	1049.337818	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1612166"	365.105418	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"327670"	354.114447	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"714624"	525.172547	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1467715"	183.056347	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1058411"	122.373323333333	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1264462"	375.149686	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"383037"	723.195558	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"741482"	1065.311758	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1548273"	381.079358	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"304357"	362.101417	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"695684"	533.159517	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1450598"	191.043317	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"242482"	726.266226	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1219565"	384.150026	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1197254"	192.578651	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"191947"	729.20356	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"631507"	1071.31976	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1133921"	387.08736	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"180491"	365.105418	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"618957"	536.163518	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1123557"	194.047318	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1405988"	129.700637333333	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1437010"	389.128946	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"224158"	370.13844	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1513679"	403.18099	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"416648"	373.092388	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"776912"	544.150488	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1670326"	202.034288	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"257209"	748.248168	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1232103"	406.131968	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1716255"	406.155493	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1183068"	137.027951333333	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1655143"	411.110888	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"162003"	761.15144	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"604855"	1103.26764	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1093744"	419.03524	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"150559"	381.079358	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"591214"	552.137458	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1079004"	210.021258	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1111121"	421.049792	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1348598"	421.137407	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1013847"	425.176576	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1533070"	426.170208	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"998423"	213.091926	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1592929"	427.084828	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1426245"	457.116338	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1154346"	233.605201	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1711557"	474.142885	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1641740"	479.09828	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1576298"	495.07222	"C01083"	"alphaalpha-Trehalose;alphaalpha-Trehalose;Trehalose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"806666"	148.0372	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M"	0
"976186"	129.01881	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"63645"	97.6841906666667	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"503741"	147.029924	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"880606"	48.3384573333333	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"519"	147.029924	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"440406"	221.048524	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"818460"	73.011324	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"79417"	295.067124	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"521290"	443.104324	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"900184"	147.029924	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"56744"	312.093671	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"494119"	460.130871	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"866458"	164.056471	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"31928"	317.049066	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"476110"	465.086266	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"849246"	169.011866	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1623453"	169.011866	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"102900"	165.018263	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"548292"	239.036863	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"939984"	90.999663	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"281585"	331.043802	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"674133"	479.081002	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1287507"	183.006602	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"29938"	333.023006	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"469133"	481.060206	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"845840"	184.985806	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1567871"	184.985806	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"955388"	193.035394	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"376846"	341.072601	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"359311"	355.088251	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1506685"	207.051051	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"970581"	215.017351	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"120580"	183.006602	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"563066"	257.025202	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1036483"	108.988002	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1249621"	226.956085	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1312069"	229.012072	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1333940"	250.994029	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"922811"	261.022786	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1298425"	296.999464	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1376591"	113.024524	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1390804"	131.0345	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"294864"	297.081676	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"686200"	445.118876	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1365828"	149.044476	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"134343"	149.044476	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"574997"	223.063076	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1049265"	75.025876	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"212792"	99.6987426666667	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"652352"	149.044476	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1172663"	50.3530093333333	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"434844"	314.108223	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"794744"	462.145423	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1693992"	166.071023	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"339357"	157.5577495	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"731777"	231.5763495	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1487783"	83.5391495	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"395163"	319.063618	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"755794"	467.100818	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1606810"	171.026418	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"324500"	160.035447	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"711456"	234.054047	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1465277"	86.016847	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1055966"	57.6803233333333	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1259105"	181.070686	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"380232"	335.037558	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"743050"	483.074758	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1542917"	187.000358	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"300457"	168.022417	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"692515"	242.041017	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1449617"	94.003817	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"241499"	338.108226	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1219681"	190.071026	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1198823"	95.539151	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"189505"	341.04556	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"629431"	489.08276	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1133301"	193.00836	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"174405"	171.026418	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"615424"	245.045018	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1121481"	97.007818	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1405005"	65.0076373333333	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1436034"	195.049946	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"223540"	176.05944	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1515980"	209.10199	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"416758"	179.013388	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"779575"	253.031988	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1673718"	104.994788	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"254041"	360.090168	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1228934"	212.052968	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1716731"	212.076493	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1181719"	72.3349513333333	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1654888"	217.031888	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"161028"	372.99344	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"603872"	521.03064	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1093852"	224.95624	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"150669"	187.000358	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"590231"	261.018958	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1078022"	112.981758	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1106858"	226.970792	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1341055"	227.058407	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1016151"	231.097576	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1532088"	232.091208	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"997444"	116.052426	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1600699"	233.005828	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1425263"	263.037338	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1158835"	136.565701	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1712566"	280.063885	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1649631"	285.01928	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1582970"	300.99322	"C01087"	"(R)-2-Hydroxyglutarate;(R)-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"806776"	162.0528	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M"	0
"975688"	143.03441	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"64534"	107.027924	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"504459"	161.045524	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"880681"	53.010324	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"834"	161.045524	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"441247"	242.071924	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"817958"	80.019124	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"79408"	323.098324	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"520668"	485.151124	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"902481"	161.045524	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"56854"	340.124871	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"494228"	502.177671	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"865837"	178.072071	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"32644"	345.080266	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"476220"	507.133066	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"850007"	183.027466	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1629397"	183.027466	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"109086"	179.033863	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"549380"	260.060263	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"941312"	98.007463	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"282433"	359.075002	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"675215"	521.127802	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1287982"	197.022202	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"30417"	361.054206	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"469732"	523.107006	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"847165"	199.001406	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1570048"	199.001406	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"955861"	207.050994	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"374443"	369.103801	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"358692"	383.119451	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1505338"	221.066651	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"969593"	229.032951	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"121054"	197.022202	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"565000"	278.048602	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1036678"	115.995802	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1256944"	240.971685	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1312180"	243.027672	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1331862"	265.009629	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"925840"	275.038386	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1304148"	311.015064	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1376700"	127.040124	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1395289"	145.0501	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"294976"	325.112876	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"684119"	487.165676	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1358280"	163.060076	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"132262"	163.060076	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"579479"	244.086476	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1052494"	82.033676	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"216182"	109.042476	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"655741"	163.060076	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1174960"	55.024876	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"436047"	342.139423	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"798134"	504.192223	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1696169"	180.086623	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"339467"	171.5733495	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"732980"	252.5997495	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1488987"	90.5469495	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"397097"	347.094818	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"756996"	509.147618	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1607284"	185.042018	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"319144"	174.051047	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"709742"	255.077447	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1468667"	93.024647	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1056444"	62.35219	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1260310"	195.086286	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"379249"	363.068758	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"742430"	525.121558	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1546307"	201.015958	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"301660"	182.038017	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"693718"	263.064417	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1447539"	101.011617	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"241609"	366.139426	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1214319"	204.086626	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1197109"	102.546951	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"194719"	369.07676	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"629417"	531.12956	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1133041"	207.02396	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"173907"	185.042018	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"616263"	266.068418	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1117094"	104.015618	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1400254"	69.679504	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1439060"	209.065546	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"225838"	190.07504	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1521558"	223.11759	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"419056"	193.028988	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"781144"	274.055388	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1673828"	112.002588	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"254515"	388.121368	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1227950"	226.068568	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1716841"	226.092093	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1181103"	77.006818	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1654270"	231.047488	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"161138"	401.02464	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"603982"	563.07744	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1092868"	238.97184	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"151872"	201.015958	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"590340"	282.042358	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1073757"	119.989558	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1106966"	240.986392	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1340068"	241.074007	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1014073"	245.113176	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1531105"	246.106808	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"997554"	123.060226	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1600081"	247.021428	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1424280"	277.052938	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1161133"	143.573501	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1712470"	294.079485	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1645242"	299.03488	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1583080"	315.00882	"C01088"	"(R)-33-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"806886"	104.0473	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M"	0
"975313"	85.02891	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"64401"	68.3575906666667	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"503113"	103.040024	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"880551"	33.6751573333333	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"2404"	103.040024	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"441356"	155.063674	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"817457"	51.016374	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"81581"	207.087324	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"521871"	311.134624	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"903683"	103.040024	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"53684"	224.113871	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"497618"	328.161171	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"865458"	120.066571	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"33479"	229.069266	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"472431"	333.116566	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"850845"	125.021966	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1625860"	125.021966	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"103484"	121.028363	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"549775"	173.052013	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"941662"	69.004713	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"281812"	243.064002	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"674718"	347.111302	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1287610"	139.016702	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"30528"	245.043206	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"469354"	349.090506	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"847154"	140.995906	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1570644"	140.995906	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"957431"	149.045494	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"375283"	253.092801	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"356611"	267.108451	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1504716"	163.061151	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"969703"	171.027451	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"121164"	139.016702	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"564383"	191.040352	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1035979"	86.993052	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1256405"	182.966185	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1315570"	185.022172	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1334888"	207.004129	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"926558"	217.032886	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1303880"	253.009564	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1378997"	69.034624	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1393212"	87.0446	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"295086"	209.101876	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"685322"	313.149176	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1358390"	105.054576	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"135652"	105.054576	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"579589"	157.078226	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1049484"	53.030926	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"216292"	70.3721426666667	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"652571"	105.054576	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1173976"	35.6897093333333	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"431783"	226.128423	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"793870"	330.175723	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1693480"	122.081123	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"339574"	113.5678495	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"734182"	165.5914995	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1488002"	61.5441995	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"397935"	231.083818	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"756377"	335.131118	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1613590"	127.036518	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"319254"	116.045547	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"707906"	168.069197	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1466591"	64.021897	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1058741"	43.0170233333333	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1263702"	137.080786	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"382277"	247.057758	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"746551"	351.105058	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1546417"	143.010458	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"300677"	124.032517	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"692128"	176.056167	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1450931"	72.008867	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"240626"	250.128426	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1215523"	146.081126	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1196126"	73.544201	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"195558"	253.06576	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"629406"	357.11306	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1132304"	149.01846	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"176812"	127.036518	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"616373"	179.060168	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1115983"	75.012868	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1400121"	50.3443373333333	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1438441"	151.060046	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"229229"	132.06954	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1520575"	165.11209	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"422447"	135.023488	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"780161"	187.047138	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1674302"	82.999838	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"256448"	272.110368	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1228061"	168.063068	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1716951"	168.086593	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1181214"	57.6716513333333	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1654381"	173.041988	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"160156"	285.01364	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"604092"	389.06094	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1090792"	180.96634	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"147610"	143.010458	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"588264"	195.034108	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1073867"	90.986808	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1104890"	182.980892	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1339449"	183.068507	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1013090"	187.107676	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1530122"	188.101308	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"1000944"	94.057476	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1600919"	189.015928	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1425483"	219.047438	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1161243"	114.570751	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1712012"	236.073985	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1647539"	241.02938	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1583190"	257.00332	"C01089"	"(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;D-beta-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"806996"	292.2402	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M"	0
"974330"	273.22181	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"64025"	193.819524	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"502874"	291.232924	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"881754"	96.406124	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"3607"	291.232924	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"441466"	437.353024	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"817135"	145.112824	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"82420"	583.473124	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"521252"	875.713324	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"903793"	291.232924	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"54887"	600.499671	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"498822"	892.739871	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"865084"	308.259471	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"33954"	605.455066	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"474247"	897.695266	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"850955"	313.214866	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1625971"	313.214866	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"105781"	309.221263	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"549809"	455.341363	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"941773"	163.101163	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"282612"	619.449802	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"675535"	911.690002	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1287967"	327.209602	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"31394"	621.429006	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"471166"	913.669206	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"845077"	329.188806	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1568566"	329.188806	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"955353"	337.238394	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"373934"	629.478601	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"354535"	643.494251	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1504462"	351.254051	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"965441"	359.220351	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"115442"	327.209602	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"565101"	473.329702	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1036697"	181.089502	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1254330"	371.159085	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1318599"	373.215072	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1334270"	395.197029	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"926833"	405.225786	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1303376"	441.202464	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1381173"	257.227524	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1397455"	275.2375	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"296897"	585.487676	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"684339"	877.727876	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1357407"	293.247476	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"131389"	293.247476	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"577515"	439.367576	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1050324"	147.127376	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"217497"	195.834076	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"657422"	293.247476	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1176883"	98.420676	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"432986"	602.514223	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"795074"	894.754423	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1687031"	310.274023	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"339684"	301.7607495	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"733929"	447.8808495	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1487019"	155.6406495	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"399140"	607.469618	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"760134"	899.709818	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1612607"	315.229418	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"324831"	304.238447	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"711057"	450.358547	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1468888"	158.118347	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1062131"	105.74799	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1270372"	325.273686	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"385668"	623.443558	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"748849"	915.683758	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1547620"	331.203358	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"301517"	312.225417	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"698311"	458.345517	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1446662"	166.105317	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"239639"	626.514226	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1214540"	334.274026	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1198423"	167.640651	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"189711"	629.45156	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"630855"	921.69176	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1131807"	337.21136	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"174490"	315.229418	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"613233"	461.349518	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1116463"	169.109318	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1398490"	113.075304	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1437457"	339.252946	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"224964"	320.26244	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1520684"	353.30499	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"420005"	323.216388	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"779176"	469.336488	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1671132"	177.096288	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"254006"	648.496168	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1225980"	356.255968	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1714874"	356.279493	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1181323"	120.402618	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1651940"	361.234888	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"160266"	661.39944	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"603109"	953.63964	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1090902"	369.15924	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"147719"	331.203358	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"590560"	477.323458	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1076163"	185.083258	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1106093"	371.173792	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1339195"	371.261407	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1015387"	375.300576	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1533512"	376.294208	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"1001054"	188.153926	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1599936"	377.208828	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1426687"	407.240338	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1161353"	208.667201	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1711514"	424.266885	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1647649"	429.22228	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1583300"	445.19622	"C01090"	"16alpha-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"807106"	414.2155	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M"	0
"974558"	395.19711	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-H2O-H"	-19.01839
"64502"	275.136390666667	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M-3H"	-3.021828
"503250"	413.208224	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M-3H"	-3.021828
"880768"	137.064557333333	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-3H"	-3.021828
"3718"	413.208224	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M-2H"	-2.014552
"442186"	620.315974	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M-2H"	-2.014552
"818893"	206.100474	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-2H"	-2.014552
"79613"	827.423724	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M-H"	-1.007276
"521726"	1241.639224	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M-H"	-1.007276
"902810"	413.208224	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-H"	-1.007276
"57184"	844.450271	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M-2H+NH4"	16.019271
"494556"	1258.665771	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M-2H+NH4"	16.019271
"864268"	430.234771	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-2H+NH4"	16.019271
"31459"	849.405666	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M-2H+Na"	20.974666
"471460"	1263.621166	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M-2H+Na"	20.974666
"848789"	435.190166	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-2H+Na"	20.974666
"1626081"	435.190166	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Na-2H"	20.974666
"103704"	431.196563	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M-H+Cl"	33.962126
"549875"	638.304313	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M-H+Cl"	33.962126
"937872"	224.088813	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-H+Cl"	33.962126
"282154"	863.400402	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+Cl"	34.969402
"675496"	1277.615902	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+Cl"	34.969402
"1288223"	449.184902	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Cl"	34.969402
"31299"	865.379606	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M-2H+K"	36.948606
"468844"	1279.595106	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M-2H+K"	36.948606
"845916"	451.164106	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-2H+K"	36.948606
"1565757"	451.164106	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+K-2H"	36.948606
"951451"	459.213694	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-H+HCOOH"	44.998194
"375135"	873.429201	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+HCOOH-H"	44.998201
"353552"	887.444851	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+Hac-H"	59.013851
"1504571"	473.229351	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Hac-H"	59.013851
"969923"	481.195651	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-H+NaCOOH"	66.980151
"121017"	449.184902	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+2Cl"	69.938804
"565414"	656.292652	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+2Cl"	69.938804
"1036967"	242.077152	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2Cl"	69.938804
"1255170"	493.134385	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Br"	78.918885
"1319319"	495.190372	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Cl+HCOOH"	80.974872
"1333651"	517.172329	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Cl+NaCOOH"	102.956829
"926659"	527.201086	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M-H+CF3COOH"	112.985586
"1303815"	563.177764	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Cl+CF3COOH"	148.962264
"1382378"	379.202824	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H-2H2O"	-35.012676
"1397565"	397.2128	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H-H2O"	-17.0027
"297372"	829.438276	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+H"	1.007276
"682262"	1243.653776	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+H"	1.007276
"1359704"	415.222776	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H"	1.007276
"134779"	415.222776	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+2H"	2.014552
"580417"	622.330526	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+2H"	2.014552
"1050678"	208.115026	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2H"	2.014552
"218458"	277.150942666667	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+3H"	3.021828
"657046"	415.222776	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+3H"	3.021828
"1176508"	139.079109333333	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+3H"	3.021828
"435283"	846.464823	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+NH4"	18.033823
"795184"	1260.680323	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+NH4"	18.033823
"1687141"	432.249323	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+NH4"	18.033823
"340887"	423.7360495	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+H+NH4"	19.041099
"731486"	630.8437995	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+H+NH4"	19.041099
"1487129"	216.6282995	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H+NH4"	19.041099
"397061"	851.420218	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+Na"	22.989218
"758056"	1265.635718	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+Na"	22.989218
"1606883"	437.204718	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Na"	22.989218
"323846"	426.213747	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+H+Na"	23.996494
"710803"	633.321497	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+H+Na"	23.996494
"1465352"	219.105997	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H+Na"	23.996494
"1062242"	146.406423333333	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2H+Na"	25.00377
"1269389"	447.248986	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+CH3OH+H"	33.033486
"384682"	867.394158	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+K"	38.963158
"745678"	1281.609658	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+K"	38.963158
"1545543"	453.178658	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+K"	38.963158
"303813"	434.200717	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+H+K"	39.970434
"695139"	641.308467	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+H+K"	39.970434
"1446042"	227.092967	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H+K"	39.970434
"239749"	870.464826	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+ACN+H"	42.033826
"1212464"	456.249326	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+ACN+H"	42.033826
"1198533"	228.628301	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+ACN+2H"	43.041102
"190310"	873.40216	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+2Na-H"	44.97116
"628648"	1287.61766	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+2Na-H"	44.97116
"1134469"	459.18666	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2Na-H"	44.97116
"176666"	437.204718	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+2Na"	45.978436
"617319"	644.312468	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+2Na"	45.978436
"1119005"	230.096968	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2Na"	45.978436
"1398592"	153.733737333333	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H+2Na"	46.985712
"1437567"	461.228246	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H+HCOOH"	47.012746
"223250"	442.23774	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+3H2O+2H"	56.04448
"1521887"	475.28029	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+IsoProp+H"	61.06479
"420479"	445.191688	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+Na+K"	61.952376
"779286"	652.299438	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+Na+K"	61.952376
"1671242"	238.083938	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Na+K"	61.952376
"255575"	892.446768	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+ACN+Na"	64.015768
"1225884"	478.231268	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+ACN+Na"	64.015768
"1713888"	478.254793	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+NH4+HCOOH"	64.039293
"1179241"	161.061051333333	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+3Na"	68.967654
"1650955"	483.210188	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Na+HCOOH"	68.994688
"158554"	905.35004	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+2K-H"	76.91904
"599207"	1319.56554	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+2K-H"	76.91904
"1089919"	491.13454	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2K-H"	76.91904
"144913"	453.178658	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"2M+2K"	77.926316
"589577"	660.286408	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"3M+2K"	77.926316
"1074086"	246.070908	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2K"	77.926316
"1104017"	493.149092	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2K+H"	78.933592
"1338212"	493.236707	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+DMSO+H"	79.021207
"1019870"	497.275876	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2ACN+H"	83.060376
"1536903"	498.269508	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+IsoProp+Na+H"	84.054008
"1000070"	249.141576	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+2ACN+2H"	84.067652
"1601868"	499.184128	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+K+HCOOH"	84.968628
"1428256"	529.215638	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+H+CF3COOH"	115.000138
"1162556"	269.654851	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+3ACN+2H"	125.094202
"1712642"	546.242185	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+NH4+CF3COOH"	132.026685
"1647759"	551.19758	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+Na+CF3COOH"	136.98208
"1583410"	567.17152	"C01091"	"Deacetylvindoline;17-O-Deacetylvindoline;Desacetylvindoline"	"C23H30N2O5"	"414.2155"	"M+K+CF3COOH"	152.95602
"807216"	187.1208	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M"	0
"974706"	168.10241	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-H2O-H"	-19.01839
"64971"	123.739924	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M-3H"	-3.021828
"503682"	186.113524	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M-3H"	-3.021828
"882334"	61.366324	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-3H"	-3.021828
"1640"	186.113524	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M-2H"	-2.014552
"443389"	279.673924	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M-2H"	-2.014552
"817906"	92.553124	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-2H"	-2.014552
"79723"	373.234324	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M-H"	-1.007276
"520015"	560.355124	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M-H"	-1.007276
"899640"	186.113524	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-H"	-1.007276
"48910"	390.260871	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M-2H+NH4"	16.019271
"497948"	577.381671	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M-2H+NH4"	16.019271
"864451"	203.140071	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-2H+NH4"	16.019271
"31868"	395.216266	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M-2H+Na"	20.974666
"472033"	582.337066	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M-2H+Na"	20.974666
"848981"	208.095466	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-2H+Na"	20.974666
"1625097"	208.095466	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Na-2H"	20.974666
"103814"	204.101863	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M-H+Cl"	33.962126
"548115"	297.662263	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M-H+Cl"	33.962126
"935795"	110.541463	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-H+Cl"	33.962126
"282752"	409.211002	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+Cl"	34.969402
"673948"	596.331802	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+Cl"	34.969402
"1288221"	222.090202	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Cl"	34.969402
"30489"	411.190206	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M-2H+K"	36.948606
"469318"	598.311006	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M-2H+K"	36.948606
"845297"	224.069406	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-2H+K"	36.948606
"1569146"	224.069406	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+K-2H"	36.948606
"951561"	232.118994	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-H+HCOOH"	44.998194
"373787"	419.239801	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+HCOOH-H"	44.998201
"355846"	433.255451	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+Hac-H"	59.013851
"1505046"	246.134651	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Hac-H"	59.013851
"970032"	254.100951	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-H+NaCOOH"	66.980151
"118940"	222.090202	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+2Cl"	69.938804
"558499"	315.650602	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+2Cl"	69.938804
"1037000"	128.529802	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2Cl"	69.938804
"1256698"	266.039685	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Br"	78.918885
"1319553"	268.095672	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Cl+HCOOH"	80.974872
"1334490"	290.077629	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Cl+NaCOOH"	102.956829
"926041"	300.106386	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M-H+CF3COOH"	112.985586
"1303719"	336.083064	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Cl+CF3COOH"	148.962264
"1380422"	152.108124	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H-2H2O"	-35.012676
"1395366"	170.1181	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H-H2O"	-17.0027
"298093"	375.248876	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+H"	1.007276
"682372"	562.369676	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+H"	1.007276
"1357627"	188.128076	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H"	1.007276
"128692"	188.128076	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+2H"	2.014552
"575543"	281.688476	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+2H"	2.014552
"1051273"	94.567676	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2H"	2.014552
"218568"	125.754476	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+3H"	3.021828
"657277"	188.128076	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+3H"	3.021828
"1176618"	63.380876	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+3H"	3.021828
"435393"	392.275423	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+NH4"	18.033823
"795294"	579.396223	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+NH4"	18.033823
"1687249"	205.154623	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+NH4"	18.033823
"340997"	196.6413495	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+H+NH4"	19.041099
"732324"	290.2017495	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+H+NH4"	19.041099
"1488332"	103.0809495	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H+NH4"	19.041099
"397171"	397.230818	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+Na"	22.989218
"759259"	584.351618	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+Na"	22.989218
"1607722"	210.110018	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Na"	22.989218
"323956"	199.119047	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+H+Na"	23.996494
"710913"	292.679447	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+H+Na"	23.996494
"1463638"	105.558647	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H+Na"	23.996494
"1063446"	70.70819	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2H+Na"	25.00377
"1268406"	220.154286	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+CH3OH+H"	33.033486
"389167"	413.204758	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+K"	38.963158
"750162"	600.325558	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+K"	38.963158
"1545653"	226.083958	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+K"	38.963158
"301370"	207.106017	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+H+K"	39.970434
"693790"	300.666417	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+H+K"	39.970434
"1446516"	113.545617	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H+K"	39.970434
"238400"	416.275426	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+ACN+H"	42.033826
"1216946"	229.154626	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+ACN+H"	42.033826
"1198643"	115.080951	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+ACN+2H"	43.041102
"190541"	419.21276	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+2Na-H"	44.97116
"628799"	606.33356	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+2Na-H"	44.97116
"1131448"	232.09196	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2Na-H"	44.97116
"176776"	210.110018	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+2Na"	45.978436
"614391"	303.670418	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+2Na"	45.978436
"1117047"	116.549618	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2Na"	45.978436
"1398521"	78.035504	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H+2Na"	46.985712
"1437677"	234.133546	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H+HCOOH"	47.012746
"224089"	215.14304	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+3H2O+2H"	56.04448
"1519446"	248.18559	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+IsoProp+H"	61.06479
"416214"	218.096988	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+Na+K"	61.952376
"775021"	311.657388	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+Na+K"	61.952376
"1665683"	124.536588	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Na+K"	61.952376
"255685"	438.257368	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+ACN+Na"	64.015768
"1225668"	251.136568	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+ACN+Na"	64.015768
"1713634"	251.160093	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+NH4+HCOOH"	64.039293
"1178986"	85.362818	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+3Na"	68.967654
"1651427"	256.115488	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Na+HCOOH"	68.994688
"160486"	451.16064	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+2K-H"	76.91904
"599317"	638.28144	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+2K-H"	76.91904
"1091122"	264.03984	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2K-H"	76.91904
"145023"	226.083958	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"2M+2K"	77.926316
"588594"	319.644358	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"3M+2K"	77.926316
"1074196"	132.523558	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2K"	77.926316
"1104127"	266.054392	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2K+H"	78.933592
"1339416"	266.142007	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+DMSO+H"	79.021207
"1014515"	270.181176	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2ACN+H"	83.060376
"1535920"	271.174808	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+IsoProp+Na+H"	84.054008
"999087"	135.594226	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+2ACN+2H"	84.067652
"1599792"	272.089428	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+K+HCOOH"	84.968628
"1428366"	302.120938	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+H+CF3COOH"	115.000138
"1160116"	156.107501	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+3ACN+2H"	125.094202
"1712669"	319.147485	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+NH4+CF3COOH"	132.026685
"1647869"	324.10288	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+Na+CF3COOH"	136.98208
"1583520"	340.07682	"C01092"	"8-Amino-7-oxononanoate;8-Amino-7-oxononanoic acid;7-Keto-8-aminopelargonic acid;KAPA"	"C9H17NO3"	"187.1208"	"M+K+CF3COOH"	152.95602
"807326"	340.1006	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M"	0
"974450"	321.08221	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-H2O-H"	-19.01839
"68004"	225.726457333333	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M-3H"	-3.021828
"505377"	339.093324	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M-3H"	-3.021828
"885368"	112.359590666667	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-3H"	-3.021828
"2849"	339.093324	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M-2H"	-2.014552
"441437"	509.143624	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M-2H"	-2.014552
"819118"	169.043024	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-2H"	-2.014552
"78577"	679.193924	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M-H"	-1.007276
"524137"	1019.294524	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M-H"	-1.007276
"896227"	339.093324	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-H"	-1.007276
"48052"	696.220471	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M-2H+NH4"	16.019271
"493687"	1036.321071	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M-2H+NH4"	16.019271
"866267"	356.119871	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-2H+NH4"	16.019271
"32098"	701.175866	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M-2H+Na"	20.974666
"473241"	1041.276466	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M-2H+Na"	20.974666
"850438"	361.075266	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-2H+Na"	20.974666
"1629581"	361.075266	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Na-2H"	20.974666
"106111"	357.081663	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M-H+Cl"	33.962126
"547859"	527.131963	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M-H+Cl"	33.962126
"939185"	187.031363	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-H+Cl"	33.962126
"277376"	715.170602	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+Cl"	34.969402
"673933"	1055.271202	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+Cl"	34.969402
"1287192"	375.070002	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Cl"	34.969402
"30600"	717.149806	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M-2H+K"	36.948606
"470764"	1057.250406	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M-2H+K"	36.948606
"846864"	377.049206	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-2H+K"	36.948606
"1568164"	377.049206	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+K-2H"	36.948606
"954588"	385.098794	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-H+HCOOH"	44.998194
"373897"	725.199401	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+HCOOH-H"	44.998201
"358873"	739.215051	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+Hac-H"	59.013851
"1506250"	399.114451	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Hac-H"	59.013851
"971968"	407.080751	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-H+NaCOOH"	66.980151
"122700"	375.070002	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+2Cl"	69.938804
"562257"	545.120302	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+2Cl"	69.938804
"1036746"	205.019702	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2Cl"	69.938804
"1256365"	419.019485	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Br"	78.918885
"1318934"	421.075472	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Cl+HCOOH"	80.974872
"1334235"	443.057429	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Cl+NaCOOH"	102.956829
"923472"	453.086186	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M-H+CF3COOH"	112.985586
"1295804"	489.062864	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Cl+CF3COOH"	148.962264
"1381622"	305.087924	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H-2H2O"	-35.012676
"1397663"	323.0979	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H-H2O"	-17.0027
"298461"	681.208476	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+H"	1.007276
"684669"	1021.309076	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+H"	1.007276
"1362111"	341.107876	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H"	1.007276
"132812"	341.107876	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+2H"	2.014552
"572373"	511.158176	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+2H"	2.014552
"1051625"	171.057576	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2H"	2.014552
"219046"	227.741009333333	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+3H"	3.021828
"659210"	341.107876	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+3H"	3.021828
"1175514"	114.374142666667	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+3H"	3.021828
"437692"	698.235023	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+NH4"	18.033823
"797593"	1038.335623	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+NH4"	18.033823
"1695017"	358.134423	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+NH4"	18.033823
"343297"	349.6211495	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+H+NH4"	19.041099
"735719"	519.6714495	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+H+NH4"	19.041099
"1488446"	179.5708495	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H+NH4"	19.041099
"399470"	703.190418	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+Na"	22.989218
"764838"	1043.291018	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+Na"	22.989218
"1615124"	363.089818	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Na"	22.989218
"326983"	352.098847	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+H+Na"	23.996494
"716492"	522.149147	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+H+Na"	23.996494
"1469218"	182.048547	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H+Na"	23.996494
"1061371"	121.701456666667	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2H+Na"	25.00377
"1261956"	373.134086	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+CH3OH+H"	33.033486
"389279"	719.164358	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+K"	38.963158
"748086"	1059.264958	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+K"	38.963158
"1547951"	379.063758	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+K"	38.963158
"301845"	360.085817	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+H+K"	39.970434
"694265"	530.136117	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+H+K"	39.970434
"1446990"	190.035517	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H+K"	39.970434
"237053"	722.235026	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+ACN+H"	42.033826
"1213776"	382.134426	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+ACN+H"	42.033826
"1198753"	191.570851	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+ACN+2H"	43.041102
"190530"	725.17236	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+2Na-H"	44.97116
"628709"	1065.27296	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+2Na-H"	44.97116
"1134688"	385.07176	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2Na-H"	44.97116
"180167"	363.089818	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+2Na"	45.978436
"625194"	533.140118	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+2Na"	45.978436
"1121412"	193.039518	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2Na"	45.978436
"1399344"	129.028770666667	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H+2Na"	46.985712
"1439975"	387.113346	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H+HCOOH"	47.012746
"225294"	368.12284	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+3H2O+2H"	56.04448
"1520285"	401.16539	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+IsoProp+H"	61.06479
"418510"	371.076788	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+Na+K"	61.952376
"775131"	541.127088	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+Na+K"	61.952376
"1665866"	201.026488	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Na+K"	61.952376
"255796"	744.216968	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+ACN+Na"	64.015768
"1229598"	404.116368	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+ACN+Na"	64.015768
"1714111"	404.139893	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+NH4+HCOOH"	64.039293
"1179831"	136.356084666667	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+3Na"	68.967654
"1650454"	409.095288	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Na+HCOOH"	68.994688
"161690"	757.12024	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+2K-H"	76.91904
"598335"	1097.22084	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+2K-H"	76.91904
"1092327"	417.01964	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2K-H"	76.91904
"153883"	379.063758	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"2M+2K"	77.926316
"593079"	549.114058	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"3M+2K"	77.926316
"1081965"	209.013458	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2K"	77.926316
"1109706"	419.034192	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2K+H"	78.933592
"1343903"	419.121807	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+DMSO+H"	79.021207
"1011335"	423.160976	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2ACN+H"	83.060376
"1530562"	424.154608	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+IsoProp+Na+H"	84.054008
"1000290"	212.084126	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+2ACN+2H"	84.067652
"1593698"	425.069228	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+K+HCOOH"	84.968628
"1427747"	455.100738	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+H+CF3COOH"	115.000138
"1161198"	232.597401	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+3ACN+2H"	125.094202
"1711844"	472.127285	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+NH4+CF3COOH"	132.026685
"1647979"	477.08268	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+Na+CF3COOH"	136.98208
"1583630"	493.05662	"C01093"	"Cellobiono-15-lactone;Cellobiose-15-lactone;Cellobionolactone"	"C12H20O11"	"340.1006"	"M+K+CF3COOH"	152.95602
"804157"	260.0297	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"975502"	241.01131	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"63077"	172.345857333333	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"504392"	259.022424	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"882197"	85.6692906666667	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"2959"	259.022424	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"442515"	389.037274	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"821414"	129.007574	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"79824"	519.052124	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"527527"	779.081824	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"905328"	259.022424	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"55330"	536.078671	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"490518"	796.108371	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"864921"	276.048971	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"32087"	541.034066	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"480163"	801.063766	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"848970"	281.004366	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1633344"	281.004366	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"109019"	277.010763	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"544689"	407.025613	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"937108"	146.995913	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"282716"	555.028802	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"675142"	815.058502	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1286813"	294.999102	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"31034"	557.008006	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"465893"	817.037706	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"845884"	296.978306	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1564996"	296.978306	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"956163"	305.027894	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"372921"	565.057601	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"357534"	579.073251	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1503448"	319.043551	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"969164"	327.009851	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"120989"	294.999102	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"559818"	425.013952	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1028621"	164.984252	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1250386"	338.948585	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1318914"	341.004572	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1334955"	362.986529	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"924673"	373.015286	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1300288"	408.991964	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1375168"	225.017024	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1391579"	243.027	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"292358"	521.066676	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"678218"	781.096376	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1357847"	261.036976	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"136206"	261.036976	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"573581"	391.051826	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040559"	131.022126	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"208094"	174.360409333333	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"648384"	261.036976	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1170158"	87.6838426666667	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"436711"	538.093223	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"798801"	798.122923	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1694039"	278.063523	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"333566"	269.5502495	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"731456"	399.5650995	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1491711"	139.5353995	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"407110"	543.048618	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"764946"	803.078318	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1613048"	283.018918	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"317617"	272.027947	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"713320"	402.042797	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1470421"	142.013097	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1060386"	95.0111566666667	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1262066"	293.063186	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"390482"	559.022558	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"747103"	819.052258	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1549154"	298.992858	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"305236"	280.014917	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"696563"	410.029767	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1450383"	150.000067	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"242268"	562.093226	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1217168"	302.063526	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1201052"	151.535401	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"195015"	565.03056	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"635669"	825.06026	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1139540"	305.00086	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"183560"	283.018918	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"622026"	413.033768	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1122615"	153.004068	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1402129"	102.338470666667	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1442272"	307.042446	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"231601"	288.05194	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1522462"	321.09449	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"419351"	291.005888	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"778522"	421.020738	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1672666"	160.991038	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"260282"	584.075168	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1237364"	324.045468	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1725159"	324.068993	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1185046"	109.665784666667	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1657127"	329.024388	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"161802"	596.97844	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"603916"	857.00814	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1090249"	336.94874	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"151439"	298.992858	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"592093"	429.007708	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1076605"	168.978008	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1106537"	338.963292	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1336483"	339.050907	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1007316"	343.090076	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1530672"	344.083708	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"997120"	172.048676	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1600375"	344.998328	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1426034"	375.029838	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1159605"	192.561951	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1702595"	392.056385	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1637152"	397.01178	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1583740"	412.98572	"C01094"	"D-Fructose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"810826"	309.9855	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M"	0
"975612"	290.96711	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-H2O-H"	-19.01839
"63850"	205.649724	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M-3H"	-3.021828
"506689"	308.978224	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M-3H"	-3.021828
"883033"	102.321224	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-3H"	-3.021828
"4888"	308.978224	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H"	-2.014552
"445177"	463.970974	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H"	-2.014552
"819336"	153.985474	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-2H"	-2.014552
"81878"	618.963724	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M-H"	-1.007276
"526543"	928.949224	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M-H"	-1.007276
"902157"	308.978224	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-H"	-1.007276
"54347"	635.990271	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+NH4"	16.019271
"490628"	945.975771	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+NH4"	16.019271
"866370"	326.004771	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+NH4"	16.019271
"31755"	640.945666	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+Na"	20.974666
"480273"	950.931166	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+Na"	20.974666
"850053"	330.960166	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+Na"	20.974666
"1634114"	330.960166	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Na-2H"	20.974666
"109129"	326.966563	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M-H+Cl"	33.962126
"543706"	481.959313	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M-H+Cl"	33.962126
"937218"	171.973813	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-H+Cl"	33.962126
"282665"	654.940402	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+Cl"	34.969402
"675289"	964.925902	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+Cl"	34.969402
"1286923"	344.954902	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl"	34.969402
"31405"	656.919606	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+K"	36.948606
"468189"	966.905106	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+K"	36.948606
"846358"	346.934106	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+K"	36.948606
"1565106"	346.934106	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+K-2H"	36.948606
"954082"	354.983694	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-H+HCOOH"	44.998194
"372297"	664.969201	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+HCOOH-H"	44.998201
"356186"	678.984851	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+Hac-H"	59.013851
"1505380"	368.999351	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Hac-H"	59.013851
"969274"	376.965651	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-H+NaCOOH"	66.980151
"122192"	344.954902	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Cl"	69.938804
"557740"	499.947652	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Cl"	69.938804
"1029824"	189.962152	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2Cl"	69.938804
"1249403"	388.904385	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Br"	78.918885
"1318051"	390.960372	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+HCOOH"	80.974872
"1332998"	412.942329	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+NaCOOH"	102.956829
"923689"	422.971086	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M-H+CF3COOH"	112.985586
"1299304"	458.947764	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+CF3COOH"	148.962264
"1371998"	274.972824	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H-2H2O"	-35.012676
"1389502"	292.9828	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H-H2O"	-17.0027
"292468"	620.978276	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+H"	1.007276
"681608"	930.963776	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+H"	1.007276
"1357957"	310.992776	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H"	1.007276
"137407"	310.992776	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+2H"	2.014552
"571504"	465.985526	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+2H"	2.014552
"1041033"	156.000026	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2H"	2.014552
"207111"	207.664276	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H"	3.021828
"654327"	310.992776	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+3H"	3.021828
"1173547"	104.335776	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+3H"	3.021828
"435727"	638.004823	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+NH4"	18.033823
"799639"	947.990323	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+NH4"	18.033823
"1694878"	328.019323	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4"	18.033823
"336228"	319.5060495	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+NH4"	19.041099
"734846"	474.4987995	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+NH4"	19.041099
"1488662"	164.5132995	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H+NH4"	19.041099
"406248"	642.960218	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na"	22.989218
"769554"	952.945718	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na"	22.989218
"1610970"	332.974718	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Na"	22.989218
"323195"	321.983747	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+Na"	23.996494
"716709"	476.976497	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+Na"	23.996494
"1468345"	166.990997	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H+Na"	23.996494
"1056124"	111.66309	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2H+Na"	25.00377
"1257556"	343.018986	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+CH3OH+H"	33.033486
"387314"	658.934158	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+K"	38.963158
"745027"	968.919658	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+K"	38.963158
"1548171"	348.948658	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+K"	38.963158
"303162"	329.970717	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+K"	39.970434
"696675"	484.963467	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+K"	39.970434
"1450496"	174.977967	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H+K"	39.970434
"236908"	662.004826	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+H"	42.033826
"1217278"	352.019326	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+H"	42.033826
"1198972"	176.513301	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+2H"	43.041102
"192937"	664.94216	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na-H"	44.97116
"635779"	974.92766	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na-H"	44.97116
"1139286"	354.95666	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na-H"	44.97116
"181483"	332.974718	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na"	45.978436
"624324"	487.967468	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na"	45.978436
"1121268"	177.981968	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na"	45.978436
"1401875"	118.990404	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H+2Na"	46.985712
"1440194"	356.998246	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H+HCOOH"	47.012746
"231347"	338.00774	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H2O+2H"	56.04448
"1523058"	371.05029	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+H"	61.06479
"419461"	340.961688	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na+K"	61.952376
"778632"	495.954438	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na+K"	61.952376
"1672776"	185.968938	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+K"	61.952376
"257112"	683.986768	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+Na"	64.015768
"1235287"	374.001268	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+Na"	64.015768
"1724175"	374.024793	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+HCOOH"	64.039293
"1184062"	126.317718	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+3Na"	68.967654
"1657237"	378.980188	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+HCOOH"	68.994688
"161912"	696.89004	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K-H"	76.91904
"603662"	1006.87554	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K-H"	76.91904
"1090359"	386.90454	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2K-H"	76.91904
"153374"	348.948658	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K"	77.926316
"594390"	503.941408	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K"	77.926316
"1078903"	193.955908	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2K"	77.926316
"1105553"	388.919092	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2K+H"	78.933592
"1340845"	389.006707	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+DMSO+H"	79.021207
"1007306"	393.045876	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+H"	83.060376
"1529689"	394.039508	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+Na+H"	84.054008
"995043"	197.026576	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+2H"	84.067652
"1601214"	394.954128	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+K+HCOOH"	84.968628
"1426144"	424.985638	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+H+CF3COOH"	115.000138
"1159715"	217.539851	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+3ACN+2H"	125.094202
"1702705"	442.012185	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+CF3COOH"	132.026685
"1639449"	446.96758	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+CF3COOH"	136.98208
"1583850"	462.94152	"C01095"	"D-Ribose 5-diphosphate"	"C5H12O11P2"	"309.9855"	"M+K+CF3COOH"	152.95602
"813125"	262.0454	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M"	0
"980096"	243.02701	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H2O-H"	-19.01839
"69433"	173.689657333333	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-3H"	-3.021828
"511179"	261.038124	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-3H"	-3.021828
"886792"	86.3411906666666	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-3H"	-3.021828
"4273"	261.038124	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H"	-2.014552
"447117"	392.060824	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H"	-2.014552
"821637"	130.015424	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H"	-2.014552
"80533"	523.083524	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-H"	-1.007276
"522281"	785.128924	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-H"	-1.007276
"904454"	261.038124	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H"	-1.007276
"58830"	540.110071	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+NH4"	16.019271
"490738"	802.155471	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+NH4"	16.019271
"866359"	278.064671	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+NH4"	16.019271
"32073"	545.065466	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+Na"	20.974666
"480383"	807.110866	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+Na"	20.974666
"848947"	283.020066	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+Na"	20.974666
"1634150"	283.020066	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na-2H"	20.974666
"109778"	279.026463	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-H+Cl"	33.962126
"549908"	410.049163	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-H+Cl"	33.962126
"942766"	148.003763	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+Cl"	33.962126
"282779"	559.060202	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Cl"	34.969402
"675485"	821.105602	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+Cl"	34.969402
"1287521"	297.014802	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl"	34.969402
"31134"	561.039406	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+K"	36.948606
"471018"	823.084806	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+K"	36.948606
"848251"	298.994006	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+K"	36.948606
"1568497"	298.994006	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K-2H"	36.948606
"956381"	307.043594	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+HCOOH"	44.998194
"373502"	569.089001	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+HCOOH-H"	44.998201
"357390"	583.104651	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Hac-H"	59.013851
"1502941"	321.059251	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Hac-H"	59.013851
"970481"	329.025551	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+NaCOOH"	66.980151
"122667"	297.014802	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Cl"	69.938804
"556757"	428.037502	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Cl"	69.938804
"1031030"	165.992102	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2Cl"	69.938804
"1247326"	340.964285	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Br"	78.918885
"1318524"	343.020272	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+HCOOH"	80.974872
"1334567"	365.002229	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+NaCOOH"	102.956829
"924893"	375.030986	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+CF3COOH"	112.985586
"1298321"	411.007664	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+CF3COOH"	148.962264
"1372108"	227.032724	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H-2H2O"	-35.012676
"1395080"	245.0427	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H-H2O"	-17.0027
"295859"	525.098076	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H"	1.007276
"686094"	787.143476	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H"	1.007276
"1359163"	263.052676	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H"	1.007276
"138612"	263.052676	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2H"	2.014552
"578177"	394.075376	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2H"	2.014552
"1043330"	132.029976	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2H"	2.014552
"209773"	175.704209333333	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H"	3.021828
"650064"	263.052676	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+3H"	3.021828
"1173659"	88.3557426666667	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+3H"	3.021828
"433650"	542.124623	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+NH4"	18.033823
"788083"	804.170023	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+NH4"	18.033823
"1693162"	280.079223	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4"	18.033823
"341440"	271.5659495	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+NH4"	19.041099
"732767"	402.5886495	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+NH4"	19.041099
"1485493"	140.5432495	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+NH4"	19.041099
"404172"	547.080018	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na"	22.989218
"761887"	809.125418	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na"	22.989218
"1604642"	285.034618	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na"	22.989218
"315162"	274.043647	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+Na"	23.996494
"709164"	405.066347	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+Na"	23.996494
"1465173"	143.020947	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+Na"	23.996494
"1059514"	95.6830566666666	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2H+Na"	25.00377
"1257667"	295.078886	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+CH3OH+H"	33.033486
"377944"	563.053958	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+K"	38.963158
"744044"	825.099358	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+K"	38.963158
"1543911"	301.008558	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K"	38.963158
"300356"	282.030617	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+K"	39.970434
"694965"	413.053317	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+K"	39.970434
"1449513"	151.007917	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+K"	39.970434
"241396"	566.124626	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+H"	42.033826
"1215201"	304.079226	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+H"	42.033826
"1208202"	152.543251	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+2H"	43.041102
"197424"	569.06196	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na-H"	44.97116
"633338"	831.10736	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na-H"	44.97116
"1137208"	307.01656	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na-H"	44.97116
"180133"	285.034618	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na"	45.978436
"620057"	416.057318	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na"	45.978436
"1122477"	154.011918	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na"	45.978436
"1409282"	103.010370666667	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+2Na"	46.985712
"1445494"	309.058146	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+HCOOH"	47.012746
"234378"	290.06764	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H2O+2H"	56.04448
"1518794"	323.11019	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+H"	61.06479
"414471"	293.021588	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na+K"	61.952376
"778744"	424.044288	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na+K"	61.952376
"1673983"	161.998888	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+K"	61.952376
"258317"	588.106568	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+Na"	64.015768
"1237586"	326.061168	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+Na"	64.015768
"1722102"	326.084693	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+HCOOH"	64.039293
"1188549"	110.337684666667	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+3Na"	68.967654
"1657349"	331.040088	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+HCOOH"	68.994688
"170044"	601.00984	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K-H"	76.91904
"609971"	863.05524	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K-H"	76.91904
"1094845"	338.96444	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2K-H"	76.91904
"155310"	301.008558	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K"	77.926316
"594140"	432.031258	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K"	77.926316
"1075735"	169.985858	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2K"	77.926316
"1105662"	340.978992	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2K+H"	78.933592
"1345328"	341.066607	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+DMSO+H"	79.021207
"1012766"	345.105776	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+H"	83.060376
"1531985"	346.099408	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+Na+H"	84.054008
"1002448"	173.056526	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+2H"	84.067652
"1599502"	347.014028	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K+HCOOH"	84.968628
"1427347"	377.045538	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+CF3COOH"	115.000138
"1160191"	193.569801	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+3ACN+2H"	125.094202
"1709380"	394.072085	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+CF3COOH"	132.026685
"1645029"	399.02748	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+CF3COOH"	136.98208
"1577398"	415.00142	"C01096"	"Sorbitol 6-phosphate;D-Sorbitol 6-phosphate;D-Glucitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K+CF3COOH"	152.95602
"809954"	260.0297	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"984578"	241.01131	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"66259"	172.345857333333	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"505817"	259.022424	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"882526"	85.6692906666667	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"5837"	259.022424	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"445033"	389.037274	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"819919"	129.007574	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"85014"	519.052124	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"524576"	779.081824	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"902376"	259.022424	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"48367"	536.078671	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"491942"	796.108371	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"865129"	276.048971	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"35461"	541.034066	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"473931"	801.063766	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"850638"	281.004366	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1633803"	281.004366	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"109558"	277.010763	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"549358"	407.025613	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"942733"	146.995913	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"282609"	555.028802	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"675188"	815.058502	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1288126"	294.999102	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"30552"	557.008006	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"469505"	817.037706	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"846212"	296.978306	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1569702"	296.978306	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"956491"	305.027894	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"373611"	565.057601	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"357500"	579.073251	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1502688"	319.043551	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"970590"	327.009851	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"121682"	294.999102	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"555773"	425.013952	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1031140"	164.984252	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1247436"	338.948585	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1318634"	341.004572	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1333949"	362.986529	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"925003"	373.015286	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1298431"	408.991964	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1370031"	225.017024	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1393003"	243.027	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"295968"	521.066676	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"679643"	781.096376	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1355992"	261.036976	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"127786"	261.036976	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"575005"	391.051826	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1044897"	131.022126	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"210612"	174.360409333333	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"650173"	261.036976	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1175591"	87.6838426666667	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"432665"	538.093223	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"788193"	798.122923	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1689991"	278.063523	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"340456"	269.5502495	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"731784"	399.5650995	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1486696"	139.5353995	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"404282"	543.048618	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"761997"	803.078318	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1604995"	283.018918	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"317948"	272.027947	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"708911"	402.042797	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1463096"	142.013097	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1055251"	95.0111566666667	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1261303"	293.063186	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"379878"	559.022558	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"744153"	819.052258	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1546208"	298.992858	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"301560"	280.014917	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"697991"	410.029767	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1449623"	150.000067	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"241506"	562.093226	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1211053"	302.063526	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1197006"	151.535401	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"200450"	565.03056	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"638188"	825.06026	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1142787"	305.00086	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"177328"	283.018918	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"616888"	413.033768	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1122587"	153.004068	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1408299"	102.338470666667	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1445530"	307.042446	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"233759"	288.05194	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1518540"	321.09449	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"414581"	291.005888	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"778854"	421.020738	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1673000"	160.991038	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"258427"	584.075168	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1234417"	324.045468	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1722212"	324.068993	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1188659"	109.665784666667	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1660739"	329.024388	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"169062"	596.97844	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"607163"	857.00814	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1096781"	336.94874	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"155422"	298.992858	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"593523"	429.007708	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1073658"	168.978008	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1105772"	338.963292	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1344345"	339.050907	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1013969"	343.090076	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1529908"	344.083708	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1003652"	172.048676	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1602045"	344.998328	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1427457"	375.029838	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1162124"	192.561951	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1707303"	392.056385	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1645139"	397.01178	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1577508"	412.98572	"C01097"	"D-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"811157"	244.0348	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M"	0
"980314"	225.01641	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H2O-H"	-19.01839
"66367"	161.682590666667	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-3H"	-3.021828
"505927"	243.027524	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-3H"	-3.021828
"884820"	80.3376573333333	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-3H"	-3.021828
"6675"	243.027524	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H"	-2.014552
"447330"	365.044924	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H"	-2.014552
"821123"	121.010124	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H"	-2.014552
"82938"	487.062324	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-H"	-1.007276
"525779"	731.097124	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-H"	-1.007276
"902486"	243.027524	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H"	-1.007276
"48477"	504.088871	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+NH4"	16.019271
"488639"	748.123671	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+NH4"	16.019271
"870950"	260.054071	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+NH4"	16.019271
"42496"	509.044266	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+Na"	20.974666
"480597"	753.079066	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+Na"	20.974666
"851840"	265.009466	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+Na"	20.974666
"1626849"	265.009466	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na-2H"	20.974666
"105568"	261.015863	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-H+Cl"	33.962126
"544033"	383.033263	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-H+Cl"	33.962126
"941927"	138.998463	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+Cl"	33.962126
"282188"	523.039002	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Cl"	34.969402
"674854"	767.073802	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Cl"	34.969402
"1287748"	279.004202	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl"	34.969402
"31111"	525.018206	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+K"	36.948606
"470343"	769.053006	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+K"	36.948606
"847539"	280.983406	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+K"	36.948606
"1570298"	280.983406	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K-2H"	36.948606
"956603"	289.032994	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+HCOOH"	44.998194
"375787"	533.067801	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+HCOOH-H"	44.998201
"356518"	547.083451	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Hac-H"	59.013851
"1505712"	303.048651	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Hac-H"	59.013851
"972159"	311.014951	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+NaCOOH"	66.980151
"122520"	279.004202	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Cl"	69.938804
"555883"	401.021602	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Cl"	69.938804
"1035257"	156.986802	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Cl"	69.938804
"1249732"	322.953685	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Br"	78.918885
"1318379"	325.009672	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+HCOOH"	80.974872
"1334666"	346.991629	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+NaCOOH"	102.956829
"925964"	357.020386	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+CF3COOH"	112.985586
"1299634"	392.997064	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+CF3COOH"	148.962264
"1369776"	209.022124	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H-2H2O"	-35.012676
"1395299"	227.0321	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H-H2O"	-17.0027
"294985"	489.076876	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H"	1.007276
"675779"	733.111676	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H"	1.007276
"1356102"	245.042076	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H"	1.007276
"130084"	245.042076	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2H"	2.014552
"575115"	367.059476	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2H"	2.014552
"1043914"	123.024676	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2H"	2.014552
"209628"	163.697142666667	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H"	3.021828
"647730"	245.042076	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+3H"	3.021828
"1168409"	82.3522093333333	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3H"	3.021828
"428401"	506.103423	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+NH4"	18.033823
"794865"	750.138223	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+NH4"	18.033823
"1689007"	262.068623	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4"	18.033823
"339471"	253.5553495	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+NH4"	19.041099
"732987"	375.5727495	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+NH4"	19.041099
"1485712"	131.5379495	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+NH4"	19.041099
"403298"	511.058818	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na"	22.989218
"761014"	755.093618	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na"	22.989218
"1605834"	267.024018	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na"	22.989218
"321337"	256.033047	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+Na"	23.996494
"710479"	378.050447	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+Na"	23.996494
"1466487"	134.015647	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+Na"	23.996494
"1058640"	89.6795233333333	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2H+Na"	25.00377
"1263599"	277.068286	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+CH3OH+H"	33.033486
"384360"	527.032758	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+K"	38.963158
"745357"	771.067558	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+K"	38.963158
"1550690"	282.997958	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K"	38.963158
"302400"	264.020017	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+K"	39.970434
"699193"	386.037417	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+K"	39.970434
"1451919"	142.002617	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+K"	39.970434
"239429"	530.103426	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+H"	42.033826
"1213229"	286.068626	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+H"	42.033826
"1197844"	143.537951	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+2H"	43.041102
"192901"	533.04076	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na-H"	44.97116
"638297"	777.07556	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na-H"	44.97116
"1136337"	289.00596	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na-H"	44.97116
"178533"	267.024018	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na"	45.978436
"620278"	389.041418	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na"	45.978436
"1121604"	145.006618	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na"	45.978436
"1409502"	97.0068373333333	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+2Na"	46.985712
"1444908"	291.047546	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+HCOOH"	47.012746
"233143"	272.05704	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H2O+2H"	56.04448
"1520107"	305.09959	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+H"	61.06479
"419064"	275.010988	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na+K"	61.952376
"778964"	397.028388	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na+K"	61.952376
"1673109"	152.993588	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+K"	61.952376
"262910"	552.085368	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+Na"	64.015768
"1236713"	308.050568	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+Na"	64.015768
"1719406"	308.074093	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+HCOOH"	64.039293
"1189134"	104.334151333333	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3Na"	68.967654
"1659392"	313.029488	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+HCOOH"	68.994688
"165528"	564.98864	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K-H"	76.91904
"605087"	809.02344	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K-H"	76.91904
"1093975"	320.95384	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K-H"	76.91904
"153710"	282.997958	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K"	77.926316
"593632"	405.015358	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K"	77.926316
"1073768"	160.980558	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K"	77.926316
"1102602"	322.968392	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K+H"	78.933592
"1338988"	323.056007	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+DMSO+H"	79.021207
"1010799"	327.095176	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+H"	83.060376
"1530018"	328.088808	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+Na+H"	84.054008
"1003033"	164.051226	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+2H"	84.067652
"1601182"	329.003428	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K+HCOOH"	84.968628
"1427566"	359.034938	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+CF3COOH"	115.000138
"1160777"	184.564501	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3ACN+2H"	125.094202
"1707412"	376.061485	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+CF3COOH"	132.026685
"1646342"	381.01688	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+CF3COOH"	136.98208
"1574338"	396.99082	"C01099"	"L-Fuculose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K+CF3COOH"	152.95602
"811267"	221.0565	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M"	0
"978238"	202.03811	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-H2O-H"	-19.01839
"64654"	146.363724	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M-3H"	-3.021828
"505672"	220.049224	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M-3H"	-3.021828
"881650"	72.678224	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-3H"	-3.021828
"2048"	220.049224	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M-2H"	-2.014552
"447440"	330.577474	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M-2H"	-2.014552
"820140"	109.520974	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-2H"	-2.014552
"82319"	441.105724	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M-H"	-1.007276
"521881"	662.162224	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M-H"	-1.007276
"900410"	220.049224	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-H"	-1.007276
"47736"	458.132271	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M-2H+NH4"	16.019271
"487778"	679.188771	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M-2H+NH4"	16.019271
"869967"	237.075771	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-2H+NH4"	16.019271
"43334"	463.087666	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M-2H+Na"	20.974666
"477427"	684.144166	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M-2H+Na"	20.974666
"858510"	242.031166	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-2H+Na"	20.974666
"1626958"	242.031166	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Na-2H"	20.974666
"105678"	238.037563	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M-H+Cl"	33.962126
"546328"	348.565813	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M-H+Cl"	33.962126
"940574"	127.509313	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-H+Cl"	33.962126
"279494"	477.082402	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+Cl"	34.969402
"669727"	698.138902	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+Cl"	34.969402
"1285413"	256.025902	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Cl"	34.969402
"24690"	479.061606	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M-2H+K"	36.948606
"469722"	700.118106	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M-2H+K"	36.948606
"846064"	258.005106	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-2H+K"	36.948606
"1570166"	258.005106	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+K-2H"	36.948606
"957321"	266.054694	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-H+HCOOH"	44.998194
"372371"	487.111201	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+HCOOH-H"	44.998201
"359902"	501.126851	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+Hac-H"	59.013851
"1502907"	280.070351	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Hac-H"	59.013851
"972633"	288.036651	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-H+NaCOOH"	66.980151
"117527"	256.025902	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+2Cl"	69.938804
"557086"	366.554152	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+2Cl"	69.938804
"1033545"	145.497652	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2Cl"	69.938804
"1249842"	299.975385	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Br"	78.918885
"1316666"	302.031372	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Cl+HCOOH"	80.974872
"1331980"	324.013329	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Cl+NaCOOH"	102.956829
"924859"	334.042086	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M-H+CF3COOH"	112.985586
"1299744"	370.018764	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Cl+CF3COOH"	148.962264
"1372438"	186.043824	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H-2H2O"	-35.012676
"1396138"	204.0538	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H-H2O"	-17.0027
"295094"	443.120276	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+H"	1.007276
"676049"	664.176776	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+H"	1.007276
"1352932"	222.063776	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H"	1.007276
"132381"	222.063776	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+2H"	2.014552
"571945"	332.592026	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+2H"	2.014552
"1041837"	111.535526	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2H"	2.014552
"206822"	148.378276	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+3H"	3.021828
"649299"	222.063776	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+3H"	3.021828
"1168518"	74.692776	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+3H"	3.021828
"430698"	460.146823	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+NH4"	18.033823
"794973"	681.203323	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+NH4"	18.033823
"1689116"	239.090323	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+NH4"	18.033823
"339581"	230.5770495	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+H+NH4"	19.041099
"733095"	341.1052995	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+H+NH4"	19.041099
"1485820"	120.0487995	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H+NH4"	19.041099
"397941"	465.102218	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+Na"	22.989218
"761123"	686.158718	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+Na"	22.989218
"1605575"	244.045718	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Na"	22.989218
"322541"	233.054747	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+H+Na"	23.996494
"712776"	343.582997	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+H+Na"	23.996494
"1468785"	122.526497	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H+Na"	23.996494
"1057657"	82.02009	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2H+Na"	25.00377
"1262614"	254.089986	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+CH3OH+H"	33.033486
"383377"	481.076158	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+K"	38.963158
"747649"	702.132658	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+K"	38.963158
"1546421"	260.019658	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+K"	38.963158
"302509"	241.041717	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+H+K"	39.970434
"698210"	351.569967	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+H+K"	39.970434
"1450935"	130.513467	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H+K"	39.970434
"240630"	484.146826	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+ACN+H"	42.033826
"1211880"	263.090326	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+ACN+H"	42.033826
"1194457"	132.048801	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+ACN+2H"	43.041102
"192281"	487.08416	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+2Na-H"	44.97116
"630747"	708.14066	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+2Na-H"	44.97116
"1137540"	266.02766	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2Na-H"	44.97116
"178640"	244.045718	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+2Na"	45.978436
"618930"	354.573968	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+2Na"	45.978436
"1122807"	133.517468	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2Na"	45.978436
"1411799"	89.347404	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H+2Na"	46.985712
"1445140"	268.069246	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H+HCOOH"	47.012746
"233253"	249.07874	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+3H2O+2H"	56.04448
"1520581"	282.12129	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+IsoProp+H"	61.06479
"421360"	252.032688	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+Na+K"	61.952376
"779074"	362.560938	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+Na+K"	61.952376
"1672126"	141.504438	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Na+K"	61.952376
"261927"	506.128768	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+ACN+Na"	64.015768
"1234636"	285.072268	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+ACN+Na"	64.015768
"1720245"	285.095793	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+NH4+HCOOH"	64.039293
"1188880"	96.674718	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+3Na"	68.967654
"1659867"	290.051188	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Na+HCOOH"	68.994688
"165637"	519.03204	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+2K-H"	76.91904
"604103"	740.08854	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+2K-H"	76.91904
"1093355"	297.97554	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2K-H"	76.91904
"154185"	260.019658	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"2M+2K"	77.926316
"593378"	370.547908	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"3M+2K"	77.926316
"1073878"	149.491408	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2K"	77.926316
"1102712"	299.990092	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2K+H"	78.933592
"1339098"	300.077707	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+DMSO+H"	79.021207
"1009816"	304.116876	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2ACN+H"	83.060376
"1530128"	305.110508	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+IsoProp+Na+H"	84.054008
"1004238"	152.562076	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+2ACN+2H"	84.067652
"1602023"	306.025128	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+K+HCOOH"	84.968628
"1427676"	336.056638	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+H+CF3COOH"	115.000138
"1161616"	173.075351	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+3ACN+2H"	125.094202
"1707522"	353.083185	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+NH4+CF3COOH"	132.026685
"1646452"	358.03858	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+Na+CF3COOH"	136.98208
"1577728"	374.01252	"C01100"	"L-Histidinol phosphate"	"C6H12N3O4P"	"221.0565"	"M+K+CF3COOH"	152.95602
"811377"	230.0192	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"978347"	211.00081	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"64765"	152.338857333333	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"510521"	229.011924	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"882855"	75.6657906666667	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"3617"	229.011924	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"444270"	344.021524	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"818793"	114.002324	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"83158"	459.031124	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"524907"	689.050324	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"899427"	229.011924	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"47718"	476.057671	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"487523"	706.076871	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"873357"	246.038471	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"41987"	481.013066	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"477537"	711.032266	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"858619"	250.993866	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1629256"	250.993866	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"104694"	247.000263	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"542066"	362.009863	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"938861"	131.990663	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"279603"	495.007802	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"668742"	725.027002	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1281150"	264.988602	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"25893"	496.987006	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"466544"	727.006206	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"839976"	266.967806	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1568934"	266.967806	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"954265"	275.017394	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"370293"	505.036601	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"355999"	519.052251	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1500822"	289.033051	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"967271"	296.999351	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"116543"	264.988602	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"559017"	379.998202	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1023804"	149.979002	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1245573"	308.938085	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1305222"	310.994072	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1325524"	332.976029	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"915488"	343.004786	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1291465"	378.981464	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1369261"	195.006524	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1392233"	213.0165	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"295201"	461.045676	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"684347"	691.064876	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1359603"	231.026476	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"132488"	231.026476	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"574234"	346.036076	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1047411"	116.016876	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"207296"	154.353409333333	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"652689"	231.026476	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1169719"	77.6803426666667	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"431902"	478.072223	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"793987"	708.091423	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1689227"	248.053023	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"338596"	239.5397495	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"727371"	354.5493495	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1481556"	124.5301495	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"399144"	483.027618	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"759046"	713.046818	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1605321"	253.008418	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"320464"	242.017447	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"711792"	357.027047	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1467802"	127.007847	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1056674"	85.0076566666667	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1264910"	263.052686	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"383487"	499.001558	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"746667"	729.020758	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1544345"	268.982358	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"300791"	250.004417	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"701600"	365.014017	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1449952"	134.994817	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"238918"	502.072226	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1210652"	272.053026	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1194526"	136.530151	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"192391"	505.00956	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"629885"	735.02876	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1136916"	274.99036	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"178748"	253.008418	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"621226"	368.018018	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1119636"	137.998818	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1405346"	92.3349706666667	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1443668"	277.031946	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"233359"	258.04144	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1514857"	291.08399	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"418189"	260.995388	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"779184"	376.004988	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1674422"	145.985788	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"254379"	524.054168	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1227817"	294.034968	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1719626"	294.058493	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1187896"	99.6622846666667	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1658882"	299.013888	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"163558"	536.95744	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"604212"	766.97664	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1092006"	306.93824	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"153930"	268.982358	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"594215"	383.991958	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1073988"	153.972758	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1106102"	308.952792	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1342488"	309.040407	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1008832"	313.079576	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1531331"	314.073208	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"1002155"	157.043426	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1601402"	314.987828	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1428151"	345.019338	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1162457"	177.556701	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1709819"	362.045885	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1646562"	367.00128	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1577838"	382.97522	"C01101"	"L-Ribulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"811487"	199.0246	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M"	0
"978458"	180.00621	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-H2O-H"	-19.01839
"67791"	131.675790666667	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M-3H"	-3.021828
"511725"	198.017324	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M-3H"	-3.021828
"882965"	65.3342573333333	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-3H"	-3.021828
"3727"	198.017324	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M-2H"	-2.014552
"441100"	297.529624	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M-2H"	-2.014552
"825464"	98.505024	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-2H"	-2.014552
"84362"	397.041924	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M-H"	-1.007276
"521737"	596.066524	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M-H"	-1.007276
"899537"	198.017324	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-H"	-1.007276
"47499"	414.068471	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M-2H+NH4"	16.019271
"487508"	613.093071	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M-2H+NH4"	16.019271
"875654"	215.043871	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-2H+NH4"	16.019271
"42461"	419.023866	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M-2H+Na"	20.974666
"483114"	618.048466	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M-2H+Na"	20.974666
"861645"	219.999266	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-2H+Na"	20.974666
"1630460"	219.999266	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Na-2H"	20.974666
"104802"	216.005663	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M-H+Cl"	33.962126
"544363"	315.517963	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M-H+Cl"	33.962126
"937877"	116.493363	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-H+Cl"	33.962126
"278619"	433.018602	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+Cl"	34.969402
"667759"	632.043202	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+Cl"	34.969402
"1283447"	233.994002	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Cl"	34.969402
"22721"	434.997806	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M-2H+K"	36.948606
"461187"	634.022406	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M-2H+K"	36.948606
"842273"	235.973206	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-2H+K"	36.948606
"1570137"	235.973206	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+K-2H"	36.948606
"954375"	244.022794	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-H+HCOOH"	44.998194
"370767"	443.047401	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+HCOOH-H"	44.998201
"353557"	457.063051	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+Hac-H"	59.013851
"1500203"	258.038451	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Hac-H"	59.013851
"964464"	266.004751	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-H+NaCOOH"	66.980151
"116652"	233.994002	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+2Cl"	69.938804
"552931"	333.506302	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+2Cl"	69.938804
"1023915"	134.481702	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2Cl"	69.938804
"1241590"	277.943485	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Br"	78.918885
"1305211"	279.999472	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Cl+HCOOH"	80.974872
"1323447"	301.981429	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Cl+NaCOOH"	102.956829
"918878"	312.010186	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M-H+CF3COOH"	112.985586
"1294491"	347.986864	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Cl+CF3COOH"	148.962264
"1369373"	164.011924	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H-2H2O"	-35.012676
"1390156"	182.0219	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H-H2O"	-17.0027
"295311"	399.056476	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+H"	1.007276
"684457"	598.081076	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+H"	1.007276
"1361899"	200.031876	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H"	1.007276
"133692"	200.031876	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+2H"	2.014552
"577624"	299.544176	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+2H"	2.014552
"1048617"	100.519576	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2H"	2.014552
"209958"	133.690342666667	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+3H"	3.021828
"651704"	200.031876	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+3H"	3.021828
"1169829"	67.3488093333333	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+3H"	3.021828
"429456"	416.083023	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+NH4"	18.033823
"789722"	615.107623	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+NH4"	18.033823
"1687148"	217.058423	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+NH4"	18.033823
"333600"	208.5451495	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+H+NH4"	19.041099
"728938"	308.0574495	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+H+NH4"	19.041099
"1482759"	109.0328495	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H+NH4"	19.041099
"397067"	421.038418	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+Na"	22.989218
"761344"	620.063018	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+Na"	22.989218
"1608348"	222.013818	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Na"	22.989218
"322760"	211.022847	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+H+Na"	23.996494
"716274"	310.535147	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+H+Na"	23.996494
"1473377"	111.510547	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H+Na"	23.996494
"1061156"	74.6761233333333	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2H+Na"	25.00377
"1265020"	232.058086	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+CH3OH+H"	33.033486
"383593"	437.012358	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+K"	38.963158
"742402"	636.036958	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+K"	38.963158
"1547735"	237.987758	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+K"	38.963158
"300536"	219.009817	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+H+K"	39.970434
"694048"	318.522117	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+H+K"	39.970434
"1446166"	119.497517	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H+K"	39.970434
"239028"	440.083026	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+ACN+H"	42.033826
"1211007"	241.058426	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+ACN+H"	42.033826
"1194278"	121.032851	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+ACN+2H"	43.041102
"192501"	443.02036	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+2Na-H"	44.97116
"629874"	642.04496	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+2Na-H"	44.97116
"1137026"	243.99576	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2Na-H"	44.97116
"178858"	222.013818	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+2Na"	45.978436
"619879"	321.526118	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+2Na"	45.978436
"1121934"	122.501518	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2Na"	45.978436
"1408736"	82.0034373333333	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H+2Na"	46.985712
"1445155"	246.037346	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H+HCOOH"	47.012746
"234198"	227.04684	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+3H2O+2H"	56.04448
"1516426"	260.08939	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+IsoProp+H"	61.06479
"418299"	230.000788	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+Na+K"	61.952376
"778201"	329.513088	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+Na+K"	61.952376
"1672345"	130.488488	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Na+K"	61.952376
"254125"	462.064968	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+ACN+Na"	64.015768
"1226347"	263.040368	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+ACN+Na"	64.015768
"1719372"	263.063893	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+NH4+HCOOH"	64.039293
"1186912"	89.3307513333333	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+3Na"	68.967654
"1657899"	268.019288	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Na+HCOOH"	68.994688
"164761"	474.96824	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+2K-H"	76.91904
"604322"	673.99284	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+2K-H"	76.91904
"1088836"	275.94364	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2K-H"	76.91904
"154401"	237.987758	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"2M+2K"	77.926316
"592137"	337.500058	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"3M+2K"	77.926316
"1077378"	138.475458	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2K"	77.926316
"1108399"	277.958192	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2K+H"	78.933592
"1344784"	278.045807	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+DMSO+H"	79.021207
"1013316"	282.084976	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2ACN+H"	83.060376
"1532535"	283.078608	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+IsoProp+Na+H"	84.054008
"1002265"	141.546126	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+2ACN+2H"	84.067652
"1596770"	283.993228	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+K+HCOOH"	84.968628
"1424616"	314.024738	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+H+CF3COOH"	115.000138
"1162080"	162.059401	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+3ACN+2H"	125.094202
"1708836"	331.051285	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+NH4+CF3COOH"	132.026685
"1643392"	336.00668	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+Na+CF3COOH"	136.98208
"1574668"	351.98062	"C01102"	"O-Phospho-L-homoserine"	"C4H10NO6P"	"199.0246"	"M+K+CF3COOH"	152.95602
"811597"	368.0257	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M"	0
"985128"	349.00731	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-H2O-H"	-19.01839
"65716"	244.343190666667	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M-3H"	-3.021828
"509648"	367.018424	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M-3H"	-3.021828
"883075"	121.667957333333	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-3H"	-3.021828
"1650"	367.018424	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M-2H"	-2.014552
"441210"	551.031274	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M-2H"	-2.014552
"819378"	183.005574	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-2H"	-2.014552
"82285"	735.044124	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M-H"	-1.007276
"522940"	1103.069824	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M-H"	-1.007276
"902927"	367.018424	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-H"	-1.007276
"47573"	752.070671	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M-2H+NH4"	16.019271
"487739"	1120.096371	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M-2H+NH4"	16.019271
"875764"	384.044971	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-2H+NH4"	16.019271
"42207"	757.026066	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M-2H+Na"	20.974666
"484317"	1125.051766	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M-2H+Na"	20.974666
"861391"	389.000366	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-2H+Na"	20.974666
"1627288"	389.000366	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Na-2H"	20.974666
"106005"	385.006763	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M-H+Cl"	33.962126
"542286"	569.019613	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M-H+Cl"	33.962126
"935799"	200.993913	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-H+Cl"	33.962126
"275449"	771.020802	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+Cl"	34.969402
"665683"	1139.046502	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+Cl"	34.969402
"1281370"	402.995102	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Cl"	34.969402
"21737"	773.000006	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M-2H+K"	36.948606
"460203"	1141.025706	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M-2H+K"	36.948606
"839098"	404.974306	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-2H+K"	36.948606
"1568791"	404.974306	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+K-2H"	36.948606
"947193"	413.023894	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-H+HCOOH"	44.998194
"368690"	781.049601	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+HCOOH-H"	44.998201
"350387"	795.065251	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+Hac-H"	59.013851
"1498126"	427.039551	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Hac-H"	59.013851
"964574"	435.005851	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-H+NaCOOH"	66.980151
"113481"	402.995102	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+2Cl"	69.938804
"551218"	587.007952	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+2Cl"	69.938804
"1022563"	218.982252	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2Cl"	69.938804
"1241576"	446.944585	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Br"	78.918885
"1305683"	449.000572	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Cl+HCOOH"	80.974872
"1323557"	470.982529	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Cl+NaCOOH"	102.956829
"918988"	481.011286	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M-H+CF3COOH"	112.985586
"1295694"	516.987964	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Cl+CF3COOH"	148.962264
"1370940"	333.013024	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H-2H2O"	-35.012676
"1384796"	351.023	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H-H2O"	-17.0027
"293235"	737.058676	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+H"	1.007276
"686752"	1105.084376	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+H"	1.007276
"1364195"	369.032976	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H"	1.007276
"137081"	369.032976	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+2H"	2.014552
"575547"	553.045826	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+2H"	2.014552
"1049455"	185.020126	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2H"	2.014552
"210068"	246.357742666667	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+3H"	3.021828
"651814"	369.032976	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+3H"	3.021828
"1169939"	123.682509333333	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+3H"	3.021828
"431024"	754.085223	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+NH4"	18.033823
"789832"	1122.110923	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+NH4"	18.033823
"1686526"	386.059523	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+NH4"	18.033823
"332617"	377.5462495	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+H+NH4"	19.041099
"727957"	561.5590995	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+H+NH4"	19.041099
"1480680"	193.5333995	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H+NH4"	19.041099
"398271"	759.040618	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+Na"	22.989218
"760361"	1127.066318	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+Na"	22.989218
"1607365"	391.014918	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Na"	22.989218
"322871"	380.023947	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+H+Na"	23.996494
"713105"	564.036797	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+H+Na"	23.996494
"1471301"	196.011097	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H+Na"	23.996494
"1062360"	131.009823333333	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2H+Na"	25.00377
"1265132"	401.059186	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+CH3OH+H"	33.033486
"383705"	775.014558	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+K"	38.963158
"745792"	1143.040258	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+K"	38.963158
"1547845"	406.988858	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+K"	38.963158
"300646"	388.010917	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+H+K"	39.970434
"694159"	572.023767	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+H+K"	39.970434
"1448342"	203.998067	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H+K"	39.970434
"239138"	778.085226	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+ACN+H"	42.033826
"1210000"	410.059526	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+ACN+H"	42.033826
"1194417"	205.533401	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+ACN+2H"	43.041102
"193704"	781.02256	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+2Na-H"	44.97116
"631078"	1149.04826	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+2Na-H"	44.97116
"1139324"	412.99686	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2Na-H"	44.97116
"178968"	391.014918	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+2Na"	45.978436
"620718"	575.027768	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+2Na"	45.978436
"1123137"	207.002068	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2Na"	45.978436
"1405566"	138.337137333333	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H+2Na"	46.985712
"1443889"	415.038446	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H+HCOOH"	47.012746
"233216"	396.04794	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+3H2O+2H"	56.04448
"1518723"	429.09049	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+IsoProp+H"	61.06479
"419502"	399.001888	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+Na+K"	61.952376
"781591"	583.014738	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+Na+K"	61.952376
"1670996"	214.989038	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Na+K"	61.952376
"253870"	800.067168	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+ACN+Na"	64.015768
"1226579"	432.041468	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+ACN+Na"	64.015768
"1713157"	432.064993	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+NH4+HCOOH"	64.039293
"1185561"	145.664451333333	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+3Na"	68.967654
"1656546"	437.020388	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Na+HCOOH"	68.994688
"165963"	812.97044	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+2K-H"	76.91904
"603338"	1180.99614	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+2K-H"	76.91904
"1088946"	444.94474	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2K-H"	76.91904
"149041"	406.988858	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"2M+2K"	77.926316
"592248"	591.001708	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"3M+2K"	77.926316
"1074207"	222.976008	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2K"	77.926316
"1106321"	446.959292	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2K+H"	78.933592
"1339425"	447.046907	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+DMSO+H"	79.021207
"1013426"	451.086076	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2ACN+H"	83.060376
"1532645"	452.079708	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+IsoProp+Na+H"	84.054008
"1002375"	226.046676	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+2ACN+2H"	84.067652
"1596880"	452.994328	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+K+HCOOH"	84.968628
"1424726"	483.025838	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+H+CF3COOH"	115.000138
"1161218"	246.559951	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+3ACN+2H"	125.094202
"1708946"	500.052385	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+NH4+CF3COOH"	132.026685
"1640221"	505.00778	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+Na+CF3COOH"	136.98208
"1571983"	520.98172	"C01103"	"Orotidine 5-phosphate;Orotidylic acid"	"C10H13N2O11P"	"368.0257"	"M+K+CF3COOH"	152.95602
"813894"	75.0684	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M"	0
"985238"	56.05001	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-H2O-H"	-19.01839
"74573"	49.038324	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M-3H"	-3.021828
"514132"	74.061124	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M-3H"	-3.021828
"885373"	24.015524	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-3H"	-3.021828
"1760"	74.061124	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M-2H"	-2.014552
"441320"	111.595324	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M-2H"	-2.014552
"822404"	36.526924	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-2H"	-2.014552
"82395"	149.129524	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M-H"	-1.007276
"522321"	224.197924	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M-H"	-1.007276
"903037"	74.061124	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-H"	-1.007276
"47252"	166.156071	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M-2H+NH4"	16.019271
"487728"	241.224471	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M-2H+NH4"	16.019271
"873687"	91.087671	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-2H+NH4"	16.019271
"41587"	171.111466	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M-2H+Na"	20.974666
"484429"	246.179866	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M-2H+Na"	20.974666
"860042"	96.043066	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-2H+Na"	20.974666
"1627398"	96.043066	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Na-2H"	20.974666
"106112"	92.049463	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M-H+Cl"	33.962126
"540204"	129.583663	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M-H+Cl"	33.962126
"932626"	54.515263	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-H+Cl"	33.962126
"275559"	185.106202	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+Cl"	34.969402
"669073"	260.174602	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+Cl"	34.969402
"1276009"	110.037802	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Cl"	34.969402
"25129"	187.085406	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M-2H+K"	36.948606
"461406"	262.153806	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M-2H+K"	36.948606
"841395"	112.017006	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-2H+K"	36.948606
"1568170"	112.017006	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+K-2H"	36.948606
"949490"	120.066594	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-H+HCOOH"	44.998194
"368800"	195.135001	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+HCOOH-H"	44.998201
"351589"	209.150651	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+Hac-H"	59.013851
"1497139"	134.082251	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Hac-H"	59.013851
"962497"	142.048551	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-H+NaCOOH"	66.980151
"111765"	110.037802	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+2Cl"	69.938804
"551687"	147.572002	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+2Cl"	69.938804
"1022674"	72.503602	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2Cl"	69.938804
"1242375"	153.987285	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Br"	78.918885
"1306523"	156.043272	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Cl+HCOOH"	80.974872
"1326947"	178.025229	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Cl+NaCOOH"	102.956829
"915818"	188.053986	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M-H+CF3COOH"	112.985586
"1291431"	224.030664	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Cl+CF3COOH"	148.962264
"1368500"	40.055724	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H-2H2O"	-35.012676
"1389280"	58.0657	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H-H2O"	-17.0027
"293345"	151.144076	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+H"	1.007276
"687955"	226.212476	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+H"	1.007276
"1359931"	76.075676	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H"	1.007276
"130995"	76.075676	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+2H"	2.014552
"572377"	113.609876	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+2H"	2.014552
"1051022"	38.541476	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2H"	2.014552
"216736"	51.052876	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+3H"	3.021828
"651924"	76.075676	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+3H"	3.021828
"1170049"	26.030076	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+3H"	3.021828
"429310"	168.170623	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+NH4"	18.033823
"790306"	243.239023	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+NH4"	18.033823
"1687002"	93.102223	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+NH4"	18.033823
"333457"	84.5889495	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+H+NH4"	19.041099
"728431"	122.1231495	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+H+NH4"	19.041099
"1480427"	47.0547495	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H+NH4"	19.041099
"401661"	173.126018	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+Na"	22.989218
"761564"	248.194418	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+Na"	22.989218
"1606381"	98.057618	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Na"	22.989218
"325168"	87.066647	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+H+Na"	23.996494
"712122"	124.600847	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+H+Na"	23.996494
"1470317"	49.532447	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H+Na"	23.996494
"1060283"	33.35739	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2H+Na"	25.00377
"1269615"	108.101886	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+CH3OH+H"	33.033486
"384908"	189.099958	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+K"	38.963158
"742622"	264.168358	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+K"	38.963158
"1542852"	114.031558	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+K"	38.963158
"301850"	95.053617	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+H+K"	39.970434
"698643"	132.587817	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+H+K"	39.970434
"1447360"	57.519417	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H+K"	39.970434
"236324"	192.170626	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+ACN+H"	42.033826
"1210085"	117.102226	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+ACN+H"	42.033826
"1194609"	59.054751	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+ACN+2H"	43.041102
"192722"	195.10796	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+2Na-H"	44.97116
"631188"	270.17636	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+2Na-H"	44.97116
"1139070"	120.03956	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2Na-H"	44.97116
"179078"	98.057618	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+2Na"	45.978436
"621921"	135.591818	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+2Na"	45.978436
"1128714"	60.523418	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2Na"	45.978436
"1412236"	40.684704	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H+2Na"	46.985712
"1444121"	122.081146	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H+HCOOH"	47.012746
"234423"	103.09064	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+3H2O+2H"	56.04448
"1522239"	136.13319	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+IsoProp+H"	61.06479
"419612"	106.044588	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+Na+K"	61.952376
"782067"	143.578788	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+Na+K"	61.952376
"1675845"	68.510388	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Na+K"	61.952376
"258718"	214.152568	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+ACN+Na"	64.015768
"1232156"	139.084168	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+ACN+Na"	64.015768
"1713266"	139.107693	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+NH4+HCOOH"	64.039293
"1181660"	48.012018	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+3Na"	68.967654
"1650824"	144.063088	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Na+HCOOH"	68.994688
"166073"	227.05584	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+2K-H"	76.91904
"609280"	302.12424	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+2K-H"	76.91904
"1092336"	151.98744	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2K-H"	76.91904
"153161"	114.031558	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"2M+2K"	77.926316
"594544"	151.565758	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"3M+2K"	77.926316
"1077597"	76.497358	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2K"	77.926316
"1105338"	154.001992	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2K+H"	78.933592
"1339536"	154.089607	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+DMSO+H"	79.021207
"1013536"	158.128776	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2ACN+H"	83.060376
"1532755"	159.122408	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+IsoProp+Na+H"	84.054008
"1005041"	79.568026	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+2ACN+2H"	84.067652
"1601364"	160.037028	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+K+HCOOH"	84.968628
"1429576"	190.068538	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+H+CF3COOH"	115.000138
"1160962"	100.081301	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+3ACN+2H"	125.094202
"1706869"	207.095085	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+NH4+CF3COOH"	132.026685
"1637051"	212.05048	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+Na+CF3COOH"	136.98208
"1573064"	228.02442	"C01104"	"Trimethylamine N-oxide;(CH3)3NO"	"C3H9NO"	"75.0684"	"M+K+CF3COOH"	152.95602
"814004"	228.0399	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M"	0
"987536"	209.02151	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-H2O-H"	-19.01839
"67029"	151.019324	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M-3H"	-3.021828
"507681"	227.032624	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M-3H"	-3.021828
"883295"	75.006024	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-3H"	-3.021828
"1870"	227.032624	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M-2H"	-2.014552
"440454"	341.052574	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M-2H"	-2.014552
"820691"	113.012674	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-2H"	-2.014552
"79342"	455.072524	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M-H"	-1.007276
"520244"	683.112424	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M-H"	-1.007276
"896461"	227.032624	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-H"	-1.007276
"47915"	472.099071	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M-2H+NH4"	16.019271
"487843"	700.138971	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M-2H+NH4"	16.019271
"873069"	244.059171	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-2H+NH4"	16.019271
"42426"	477.054466	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M-2H+Na"	20.974666
"483081"	705.094366	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M-2H+Na"	20.974666
"855778"	249.014566	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-2H+Na"	20.974666
"1628601"	249.014566	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Na-2H"	20.974666
"105129"	245.020963	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M-H+Cl"	33.962126
"540314"	359.040913	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M-H+Cl"	33.962126
"932736"	131.001013	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-H+Cl"	33.962126
"272389"	491.049202	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+Cl"	34.969402
"670276"	719.089102	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+Cl"	34.969402
"1276483"	263.009302	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Cl"	34.969402
"23052"	493.028406	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M-2H+K"	36.948606
"458600"	721.068306	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M-2H+K"	36.948606
"836038"	264.988506	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-2H+K"	36.948606
"1562805"	264.988506	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+K-2H"	36.948606
"945218"	273.038094	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-H+HCOOH"	44.998194
"365630"	501.078001	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+HCOOH-H"	44.998201
"349513"	515.093651	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+Hac-H"	59.013851
"1496156"	287.053751	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Hac-H"	59.013851
"961515"	295.020051	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-H+NaCOOH"	66.980151
"110663"	263.009302	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+2Cl"	69.938804
"550706"	377.029252	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+2Cl"	69.938804
"1023513"	148.989352	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2Cl"	69.938804
"1242115"	306.958785	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Br"	78.918885
"1306633"	309.014772	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Cl+HCOOH"	80.974872
"1327057"	330.996729	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Cl+NaCOOH"	102.956829
"915928"	341.025486	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M-H+CF3COOH"	112.985586
"1288626"	377.002164	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Cl+CF3COOH"	148.962264
"1368610"	193.027224	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H-2H2O"	-35.012676
"1389390"	211.0372	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H-H2O"	-17.0027
"282956"	457.087076	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+H"	1.007276
"688065"	685.126976	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+H"	1.007276
"1364414"	229.047176	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H"	1.007276
"135115"	229.047176	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+2H"	2.014552
"572487"	343.067126	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+2H"	2.014552
"1051498"	115.027226	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2H"	2.014552
"219276"	153.033876	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+3H"	3.021828
"650941"	229.047176	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+3H"	3.021828
"1170159"	77.020576	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+3H"	3.021828
"431608"	474.113623	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+NH4"	18.033823
"791509"	702.153523	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+NH4"	18.033823
"1683466"	246.073723	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+NH4"	18.033823
"333203"	237.5604495	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+H+NH4"	19.041099
"728541"	351.5803995	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+H+NH4"	19.041099
"1480173"	123.5404995	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H+NH4"	19.041099
"401771"	479.069018	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+Na"	22.989218
"761674"	707.108918	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+Na"	22.989218
"1607585"	251.029118	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Na"	22.989218
"325278"	240.038147	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+H+Na"	23.996494
"710045"	354.058097	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+H+Na"	23.996494
"1471520"	126.018197	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H+Na"	23.996494
"1061486"	84.34789	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2H+Na"	25.00377
"1262070"	261.073386	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+CH3OH+H"	33.033486
"383924"	495.042958	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+K"	38.963158
"741637"	723.082858	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+K"	38.963158
"1543325"	267.003058	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+K"	38.963158
"301594"	248.025117	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+H+K"	39.970434
"694378"	362.045067	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+H+K"	39.970434
"1448198"	134.005167	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H+K"	39.970434
"240080"	498.113626	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+ACN+H"	42.033826
"1210601"	270.073726	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+ACN+H"	42.033826
"1194965"	135.540501	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+ACN+2H"	43.041102
"193197"	501.05096	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+2Na-H"	44.97116
"633120"	729.09086	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+2Na-H"	44.97116
"1132125"	273.01106	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2Na-H"	44.97116
"179188"	251.029118	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+2Na"	45.978436
"620938"	365.049068	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+2Na"	45.978436
"1130774"	137.009168	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2Na"	45.978436
"1412225"	91.675204	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H+2Na"	46.985712
"1444351"	275.052646	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H+HCOOH"	47.012746
"233072"	256.06214	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+3H2O+2H"	56.04448
"1522225"	289.10469	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+IsoProp+H"	61.06479
"418629"	259.016088	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+Na+K"	61.952376
"781812"	373.036038	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+Na+K"	61.952376
"1673768"	144.996138	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Na+K"	61.952376
"258463"	520.095568	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+ACN+Na"	64.015768
"1232266"	292.055668	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+ACN+Na"	64.015768
"1713619"	292.079193	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+NH4+HCOOH"	64.039293
"1178730"	99.002518	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+3Na"	68.967654
"1650078"	297.034588	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Na+HCOOH"	68.994688
"163997"	532.99884	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+2K-H"	76.91904
"602464"	761.03874	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+2K-H"	76.91904
"1094633"	304.95894	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2K-H"	76.91904
"149260"	267.003058	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"2M+2K"	77.926316
"593196"	381.023008	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"3M+2K"	77.926316
"1076614"	152.983108	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2K"	77.926316
"1106541"	306.973492	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2K+H"	78.933592
"1340740"	307.061107	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+DMSO+H"	79.021207
"1013646"	311.100276	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2ACN+H"	83.060376
"1532865"	312.093908	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+IsoProp+Na+H"	84.054008
"1004420"	156.053776	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+2ACN+2H"	84.067652
"1601474"	313.008528	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+K+HCOOH"	84.968628
"1427134"	343.040038	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+H+CF3COOH"	115.000138
"1160343"	176.567051	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+3ACN+2H"	125.094202
"1706979"	360.066585	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+NH4+CF3COOH"	132.026685
"1637161"	365.02198	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+Na+CF3COOH"	136.98208
"1573173"	380.99592	"C01107"	"(R)-5-Phosphomevalonate;(R)-5-Phosphomevaloonic acid;(R)-Mevalonic acid 5-phosphate"	"C6H13O7P"	"228.0399"	"M+K+CF3COOH"	152.95602
"814844"	126.0317	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M"	0
"985459"	107.01331	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-H2O-H"	-19.01839
"66046"	83.0138573333333	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M-3H"	-3.021828
"507791"	125.024424	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M-3H"	-3.021828
"883405"	41.0032906666667	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-3H"	-3.021828
"887"	125.024424	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M-2H"	-2.014552
"441540"	188.040274	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M-2H"	-2.014552
"819344"	62.008574	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-2H"	-2.014552
"79089"	251.056124	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M-H"	-1.007276
"521448"	377.087824	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M-H"	-1.007276
"896329"	125.024424	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-H"	-1.007276
"49000"	268.082671	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M-2H+NH4"	16.019271
"488924"	394.114371	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M-2H+NH4"	16.019271
"875366"	142.050971	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-2H+NH4"	16.019271
"42536"	273.038066	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M-2H+Na"	20.974666
"483555"	399.069766	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M-2H+Na"	20.974666
"855888"	147.006366	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-2H+Na"	20.974666
"1627618"	147.006366	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Na-2H"	20.974666
"98677"	143.012763	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M-H+Cl"	33.962126
"537144"	206.028613	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M-H+Cl"	33.962126
"928226"	79.996913	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-H+Cl"	33.962126
"272499"	287.032802	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+Cl"	34.969402
"669293"	413.064502	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+Cl"	34.969402
"1277322"	161.001102	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Cl"	34.969402
"24256"	289.012006	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M-2H+K"	36.948606
"461626"	415.043706	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M-2H+K"	36.948606
"840522"	162.980306	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-2H+K"	36.948606
"1561821"	162.980306	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+K-2H"	36.948606
"947518"	171.029894	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-H+HCOOH"	44.998194
"365740"	297.061601	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+HCOOH-H"	44.998201
"349623"	311.077251	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+Hac-H"	59.013851
"1495173"	185.045551	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Hac-H"	59.013851
"964905"	193.011851	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-H+NaCOOH"	66.980151
"110524"	161.001102	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+2Cl"	69.938804
"551057"	224.016952	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+2Cl"	69.938804
"1022161"	97.985252	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2Cl"	69.938804
"1241984"	204.950585	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Br"	78.918885
"1304799"	207.006572	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Cl+HCOOH"	80.974872
"1327167"	228.988529	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Cl+NaCOOH"	102.956829
"916038"	239.017286	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M-H+CF3COOH"	112.985586
"1290924"	274.993964	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Cl+CF3COOH"	148.962264
"1370907"	91.019024	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H-2H2O"	-35.012676
"1387313"	109.029	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H-H2O"	-17.0027
"283345"	253.070676	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+H"	1.007276
"689272"	379.102376	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+H"	1.007276
"1362338"	127.038976	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H"	1.007276
"136318"	127.038976	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+2H"	2.014552
"573691"	190.054826	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+2H"	2.014552
"1050514"	64.023126	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2H"	2.014552
"219143"	85.0284093333333	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+3H"	3.021828
"658946"	127.038976	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+3H"	3.021828
"1175732"	43.0178426666667	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+3H"	3.021828
"434629"	270.097223	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+NH4"	18.033823
"794531"	396.128923	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+NH4"	18.033823
"1688677"	144.065523	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+NH4"	18.033823
"332583"	135.5522495	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+H+NH4"	19.041099
"729378"	198.5680995	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+H+NH4"	19.041099
"1482105"	72.5363995	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H+NH4"	19.041099
"394588"	275.052618	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+Na"	22.989218
"761784"	401.084318	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+Na"	22.989218
"1603562"	149.020918	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Na"	22.989218
"314569"	138.029947	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+H+Na"	23.996494
"710511"	201.045797	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+H+Na"	23.996494
"1462878"	75.014097	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H+Na"	23.996494
"1057213"	50.3451566666667	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2H+Na"	25.00377
"1259014"	159.065186	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+CH3OH+H"	33.033486
"377548"	291.026558	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+K"	38.963158
"738868"	417.058258	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+K"	38.963158
"1542704"	164.994858	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+K"	38.963158
"300972"	146.016917	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+H+K"	39.970434
"694487"	209.032767	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+H+K"	39.970434
"1450492"	83.001067	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H+K"	39.970434
"241281"	294.097226	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+ACN+H"	42.033826
"1210342"	168.065526	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+ACN+H"	42.033826
"1194594"	84.536401	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+ACN+2H"	43.041102
"190875"	297.03456	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+2Na-H"	44.97116
"631409"	423.06626	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+2Na-H"	44.97116
"1134183"	171.00286	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2Na-H"	44.97116
"178206"	149.020918	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+2Na"	45.978436
"621048"	212.036768	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+2Na"	45.978436
"1127106"	86.005068	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2Na"	45.978436
"1413838"	57.6724706666667	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H+2Na"	46.985712
"1442384"	173.044446	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H+HCOOH"	47.012746
"235211"	154.05394	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+3H2O+2H"	56.04448
"1523433"	187.09649	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+IsoProp+H"	61.06479
"415459"	157.007888	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+Na+K"	61.952376
"781922"	220.023738	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+Na+K"	61.952376
"1674971"	93.992038	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Na+K"	61.952376
"257115"	316.079168	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+ACN+Na"	64.015768
"1230188"	190.047468	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+ACN+Na"	64.015768
"1714702"	190.070993	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+NH4+HCOOH"	64.039293
"1180421"	64.9997846666667	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+3Na"	68.967654
"1650796"	195.026388	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Na+HCOOH"	68.994688
"163013"	328.98244	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+2K-H"	76.91904
"600021"	455.01414	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+2K-H"	76.91904
"1093649"	202.95074	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2K-H"	76.91904
"151193"	164.994858	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"2M+2K"	77.926316
"593670"	228.010708	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"3M+2K"	77.926316
"1076724"	101.979008	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2K"	77.926316
"1106651"	204.965292	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2K+H"	78.933592
"1339756"	205.052907	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+DMSO+H"	79.021207
"1017036"	209.092076	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2ACN+H"	83.060376
"1529694"	210.085708	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+IsoProp+Na+H"	84.054008
"1002706"	105.049676	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+2ACN+2H"	84.067652
"1601342"	211.000328	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+K+HCOOH"	84.968628
"1423963"	241.031838	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+H+CF3COOH"	115.000138
"1155350"	125.562951	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+3ACN+2H"	125.094202
"1707089"	258.058385	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+NH4+CF3COOH"	132.026685
"1637271"	263.01378	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+Na+CF3COOH"	136.98208
"1571703"	278.98772	"C01108"	"123-Trihydroxybenzene;Pyrogallol;Pyrogallic acid;123-Benzenetriol"	"C6H6O3"	"126.0317"	"M+K+CF3COOH"	152.95602
"815317"	158.0691	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M"	0
"982288"	139.05071	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-H2O-H"	-19.01839
"67249"	104.372124	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M-3H"	-3.021828
"507901"	157.061824	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M-3H"	-3.021828
"881327"	51.682424	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-3H"	-3.021828
"4277"	157.061824	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M-2H"	-2.014552
"441650"	236.096374	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M-2H"	-2.014552
"820547"	78.027274	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-2H"	-2.014552
"81632"	315.130924	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M-H"	-1.007276
"522286"	473.200024	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M-H"	-1.007276
"897900"	157.061824	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-H"	-1.007276
"48263"	332.157471	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M-2H+NH4"	16.019271
"488914"	490.226571	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M-2H+NH4"	16.019271
"877663"	174.088371	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-2H+NH4"	16.019271
"45563"	337.112866	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M-2H+Na"	20.974666
"484759"	495.181966	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M-2H+Na"	20.974666
"859645"	179.043766	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-2H+Na"	20.974666
"1623352"	179.043766	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Na-2H"	20.974666
"98787"	175.050163	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M-H+Cl"	33.962126
"536282"	254.084713	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M-H+Cl"	33.962126
"929673"	96.015613	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-H+Cl"	33.962126
"269689"	351.107602	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+Cl"	34.969402
"663566"	509.176702	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+Cl"	34.969402
"1278525"	193.038502	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Cl"	34.969402
"19255"	353.086806	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M-2H+K"	36.948606
"458820"	511.155906	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M-2H+K"	36.948606
"841725"	195.017706	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-2H+K"	36.948606
"1561931"	195.017706	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+K-2H"	36.948606
"947628"	203.067294	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-H+HCOOH"	44.998194
"362562"	361.136401	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+HCOOH-H"	44.998201
"349727"	375.152051	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+Hac-H"	59.013851
"1495281"	217.082951	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Hac-H"	59.013851
"965015"	225.049251	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-H+NaCOOH"	66.980151
"110270"	193.038502	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+2Cl"	69.938804
"550199"	272.073052	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+2Cl"	69.938804
"1022031"	114.003952	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2Cl"	69.938804
"1241973"	236.987985	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Br"	78.918885
"1304668"	239.043972	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Cl+HCOOH"	80.974872
"1330557"	261.025929	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Cl+NaCOOH"	102.956829
"916512"	271.054686	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M-H+CF3COOH"	112.985586
"1293950"	307.031364	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Cl+CF3COOH"	148.962264
"1371017"	123.056424	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H-2H2O"	-35.012676
"1387423"	141.0664	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H-H2O"	-17.0027
"283338"	317.145476	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+H"	1.007276
"681720"	475.214576	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+H"	1.007276
"1353326"	159.076376	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H"	1.007276
"128035"	159.076376	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+2H"	2.014552
"566129"	238.110926	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+2H"	2.014552
"1052084"	80.041826	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2H"	2.014552
"219131"	106.386676	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+3H"	3.021828
"657718"	159.076376	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+3H"	3.021828
"1174748"	53.696976	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+3H"	3.021828
"430729"	334.172023	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+NH4"	18.033823
"791360"	492.241123	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+NH4"	18.033823
"1688785"	176.102923	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+NH4"	18.033823
"335975"	167.5896495	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+H+NH4"	19.041099
"728394"	246.6241995	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+H+NH4"	19.041099
"1481122"	88.5550995	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H+NH4"	19.041099
"395792"	339.127418	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+Na"	22.989218
"765173"	497.196518	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+Na"	22.989218
"1604523"	181.058318	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Na"	22.989218
"315407"	170.067347	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+H+Na"	23.996494
"709894"	249.101897	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+H+Na"	23.996494
"1462623"	91.032797	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H+Na"	23.996494
"1056232"	61.02429	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2H+Na"	25.00377
"1257910"	191.102586	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+CH3OH+H"	33.033486
"380131"	355.101358	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+K"	38.963158
"740032"	513.170458	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+K"	38.963158
"1543907"	197.032258	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+K"	38.963158
"300352"	178.054317	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+H+K"	39.970434
"695690"	257.088867	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+H+K"	39.970434
"1449510"	99.019767	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H+K"	39.970434
"242486"	358.172026	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+ACN+H"	42.033826
"1210073"	200.102926	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+ACN+H"	42.033826
"1194308"	100.555101	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+ACN+2H"	43.041102
"190862"	361.10936	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+2Na-H"	44.97116
"631515"	519.17846	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+2Na-H"	44.97116
"1132224"	203.04026	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2Na-H"	44.97116
"179409"	181.058318	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+2Na"	45.978436
"618971"	260.092868	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+2Na"	45.978436
"1124664"	102.023768	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2Na"	45.978436
"1412202"	68.351604	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H+2Na"	46.985712
"1439214"	205.081846	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H+HCOOH"	47.012746
"235115"	186.09134	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+3H2O+2H"	56.04448
"1523947"	219.13389	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+IsoProp+H"	61.06479
"415569"	189.045288	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+Na+K"	61.952376
"779846"	268.079838	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+Na+K"	61.952376
"1672164"	110.010738	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Na+K"	61.952376
"254309"	380.153968	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+ACN+Na"	64.015768
"1229932"	222.084868	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+ACN+Na"	64.015768
"1714810"	222.108393	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+NH4+HCOOH"	64.039293
"1179799"	75.678918	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+3Na"	68.967654
"1650909"	227.063788	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Na+HCOOH"	68.994688
"163123"	393.05724	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+2K-H"	76.91904
"600493"	551.12634	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+2K-H"	76.91904
"1094487"	234.98814	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2K-H"	76.91904
"146200"	197.032258	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"2M+2K"	77.926316
"593780"	276.066808	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"3M+2K"	77.926316
"1076834"	117.997708	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2K"	77.926316
"1106761"	237.002692	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2K+H"	78.933592
"1339866"	237.090307	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+DMSO+H"	79.021207
"1010585"	241.129476	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2ACN+H"	83.060376
"1525671"	242.123108	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+IsoProp+Na+H"	84.054008
"999534"	121.068376	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+2ACN+2H"	84.067652
"1599507"	243.037728	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+K+HCOOH"	84.968628
"1428447"	273.069238	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+H+CF3COOH"	115.000138
"1155460"	141.581651	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+3ACN+2H"	125.094202
"1706106"	290.095785	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+NH4+CF3COOH"	132.026685
"1638474"	295.05118	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+Na+CF3COOH"	136.98208
"1572664"	311.02512	"C01109"	"4-Methylene-L-glutamine"	"C6H10N2O3"	"158.0691"	"M+K+CF3COOH"	152.95602
"814701"	131.0582	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M"	0
"982398"	112.03981	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"66266"	86.3648573333333	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"508011"	130.050924	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"880345"	42.6787906666667	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"7667"	130.050924	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"445040"	195.580024	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"819564"	64.521824	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"87209"	261.109124	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"521303"	392.167324	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"896919"	130.050924	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"55666"	278.135671	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"494134"	409.193871	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"875586"	147.077471	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"43850"	283.091066	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"484140"	414.149266	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"859755"	152.032866	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1624555"	152.032866	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"95617"	148.039263	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"537364"	213.568363	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"929782"	82.510163	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"268706"	297.085802	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"662947"	428.144002	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1278635"	166.027602	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"19366"	299.065006	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"459657"	430.123206	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"837089"	168.006806	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1557667"	168.006806	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"944816"	176.056394	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"362307"	307.114601	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"349837"	321.130251	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1494298"	190.072051	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"958846"	198.038351	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"110131"	166.027602	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"550674"	231.556702	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1021817"	100.498502	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1241515"	209.977085	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1305140"	212.033072	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1329574"	234.015029	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"916258"	244.043786	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1290780"	280.020464	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1371127"	96.045524	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1386440"	114.0555	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"283078"	263.123676	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"681830"	394.181876	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1351614"	132.065476	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"127052"	132.065476	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"565875"	197.594576	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1051830"	66.536376	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"219244"	88.3794093333333	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"657828"	132.065476	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1173765"	44.6933426666667	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"430475"	280.150223	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"788554"	411.208423	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1687802"	149.092023	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"337178"	140.5787495	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"725588"	206.1078495	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1484513"	75.0496495	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"395538"	285.105618	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"765283"	416.163818	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1607914"	154.047418	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"315885"	143.056447	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"707940"	208.585547	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1463826"	77.527347	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1054882"	52.0206566666667	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1258749"	164.091686	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"380241"	301.079558	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"742695"	432.137758	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1544019"	170.021358	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"301193"	151.043417	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"700174"	216.572517	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1456180"	85.514317	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"243690"	304.150226	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1210278"	173.092026	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1194682"	87.049651	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"190115"	307.08756	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"628858"	438.14576	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1131754"	176.02936	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"174776"	154.047418	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"619079"	219.576518	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1124774"	88.518318	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1412312"	59.3479706666667	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1437137"	178.070946	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"233400"	159.08044	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1521461"	192.12299	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"412762"	162.034388	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"779955"	227.563488	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1669359"	96.505288	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"253326"	326.132168	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1230042"	195.073968	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1713463"	195.097493	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1179301"	66.6752846666667	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1651627"	200.052888	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"163233"	339.03544	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"600239"	470.09364	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1093868"	207.97724	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"146310"	170.021358	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"593526"	235.550458	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1078037"	104.492258	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1106871"	209.991792	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1342164"	210.079407	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1016892"	214.118576	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1531007"	215.112208	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"996364"	107.562926	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1598524"	216.026828	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1425277"	246.058338	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1158848"	128.076201	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1707309"	263.084885	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1638584"	268.04028	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1573140"	284.01422	"C01110"	"5-Amino-2-oxopentanoic acid;5-Amino-2-oxopentanoate;2-Oxo-5-amino-pentanoate;2-Oxo-5-aminopentanoate;alpha-Keto-delta-aminopentanoate;2-Oxo-5-aminovalerate"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"814444"	221.0324	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M"	0
"985788"	202.01401	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-H2O-H"	-19.01839
"75124"	146.347657333333	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M-3H"	-3.021828
"515778"	220.025124	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M-3H"	-3.021828
"894554"	72.6701906666667	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-3H"	-3.021828
"14950"	220.025124	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M-2H"	-2.014552
"451716"	330.541324	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M-2H"	-2.014552
"828059"	109.508924	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-2H"	-2.014552
"91697"	441.057524	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M-H"	-1.007276
"530165"	662.089924	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M-H"	-1.007276
"911012"	220.025124	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-H"	-1.007276
"62843"	458.084071	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M-2H+NH4"	16.019271
"502636"	679.116471	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M-2H+NH4"	16.019271
"877641"	237.051671	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-2H+NH4"	16.019271
"44326"	463.039466	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M-2H+Na"	20.974666
"486766"	684.071866	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M-2H+Na"	20.974666
"862782"	242.007066	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-2H+Na"	20.974666
"1622477"	242.007066	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Na-2H"	20.974666
"98277"	238.013463	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M-H+Cl"	33.962126
"539659"	348.529663	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M-H+Cl"	33.962126
"934266"	127.497263	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-H+Cl"	33.962126
"273920"	477.034202	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+Cl"	34.969402
"667436"	698.066602	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+Cl"	34.969402
"1280934"	256.001802	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Cl"	34.969402
"23489"	479.013406	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M-2H+K"	36.948606
"469491"	700.045806	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M-2H+K"	36.948606
"840851"	257.981006	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-2H+K"	36.948606
"1567621"	257.981006	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+K-2H"	36.948606
"950037"	266.030594	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-H+HCOOH"	44.998194
"372627"	487.063001	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+HCOOH-H"	44.998201
"354323"	501.078651	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+Hac-H"	59.013851
"1499875"	280.046251	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Hac-H"	59.013851
"958831"	288.012551	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-H+NaCOOH"	66.980151
"114139"	256.001802	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+2Cl"	69.938804
"552607"	366.518002	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+2Cl"	69.938804
"1022860"	145.485602	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2Cl"	69.938804
"1243168"	299.951285	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Br"	78.918885
"1306716"	302.007272	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Cl+HCOOH"	80.974872
"1329684"	323.989229	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Cl+NaCOOH"	102.956829
"920743"	334.017986	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M-H+CF3COOH"	112.985586
"1303165"	369.994664	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Cl+CF3COOH"	148.962264
"1378894"	186.019724	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H-2H2O"	-35.012676
"1396027"	204.0297	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H-H2O"	-17.0027
"287329"	443.072076	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+H"	1.007276
"676100"	664.104476	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+H"	1.007276
"1353180"	222.039676	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H"	1.007276
"126311"	222.039676	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+2H"	2.014552
"566475"	332.555876	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+2H"	2.014552
"1051210"	111.523476	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2H"	2.014552
"219800"	148.362209333333	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+3H"	3.021828
"655751"	222.039676	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+3H"	3.021828
"1174970"	74.6847426666667	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+3H"	3.021828
"436054"	460.098623	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+NH4"	18.033823
"797053"	681.131023	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+NH4"	18.033823
"1693384"	239.066223	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+NH4"	18.033823
"337289"	230.5529495	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+H+NH4"	19.041099
"735177"	341.0691495	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+H+NH4"	19.041099
"1488998"	120.0367495	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H+NH4"	19.041099
"407316"	465.054018	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+Na"	22.989218
"767582"	686.086418	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+Na"	22.989218
"1614956"	244.021618	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Na"	22.989218
"327545"	233.030647	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+H+Na"	23.996494
"718874"	343.546847	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+H+Na"	23.996494
"1474146"	122.514447	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H+Na"	23.996494
"1065571"	82.0120566666667	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2H+Na"	25.00377
"1265789"	254.065886	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+CH3OH+H"	33.033486
"385459"	481.027958	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+K"	38.963158
"743173"	702.060358	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+K"	38.963158
"1543039"	259.995558	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+K"	38.963158
"300577"	241.017617	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+H+K"	39.970434
"699196"	351.533817	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+H+K"	39.970434
"1453014"	130.501417	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H+K"	39.970434
"244895"	484.098626	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+ACN+H"	42.033826
"1210795"	263.066226	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+ACN+H"	42.033826
"1194554"	132.036751	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+ACN+2H"	43.041102
"191076"	487.03596	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+2Na-H"	44.97116
"628927"	708.06836	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+2Na-H"	44.97116
"1132308"	266.00356	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2Na-H"	44.97116
"173376"	244.021618	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+2Na"	45.978436
"614806"	354.537818	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+2Na"	45.978436
"1116245"	133.505418	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2Na"	45.978436
"1412784"	89.3393706666667	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H+2Na"	46.985712
"1444779"	268.045146	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H+HCOOH"	47.012746
"233866"	249.05464	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+3H2O+2H"	56.04448
"1518287"	282.09719	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+IsoProp+H"	61.06479
"416878"	252.008588	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+Na+K"	61.952376
"783341"	362.524788	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+Na+K"	61.952376
"1668736"	141.492388	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Na+K"	61.952376
"255256"	506.080568	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+ACN+Na"	64.015768
"1230153"	285.048168	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+ACN+Na"	64.015768
"1721227"	285.071693	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+NH4+HCOOH"	64.039293
"1184396"	96.6666846666667	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+3Na"	68.967654
"1655383"	290.027088	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Na+HCOOH"	68.994688
"157627"	518.98384	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+2K-H"	76.91904
"599376"	740.01624	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+2K-H"	76.91904
"1085469"	297.95144	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2K-H"	76.91904
"148240"	259.995558	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"2M+2K"	77.926316
"587071"	370.511758	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"3M+2K"	77.926316
"1076322"	149.479358	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2K"	77.926316
"1108802"	299.965992	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2K+H"	78.933592
"1345189"	300.053607	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+DMSO+H"	79.021207
"1009708"	304.092776	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2ACN+H"	83.060376
"1526744"	305.086408	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+IsoProp+Na+H"	84.054008
"991366"	152.550026	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+2ACN+2H"	84.067652
"1592065"	306.001028	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+K+HCOOH"	84.968628
"1427210"	336.032538	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+H+CF3COOH"	115.000138
"1158957"	173.063301	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+3ACN+2H"	125.094202
"1699759"	353.059085	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+NH4+CF3COOH"	132.026685
"1637601"	358.01448	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+Na+CF3COOH"	136.98208
"1572157"	373.98842	"C01111"	"78-Dihydroxykynurenate"	"C10H7NO5"	"221.0324"	"M+K+CF3COOH"	152.95602
"814191"	230.0192	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"986995"	211.00081	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"74143"	152.338857333333	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"512609"	229.011924	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"884943"	75.6657906666667	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"7892"	229.011924	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"450734"	344.021524	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"831452"	114.002324	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"91809"	459.031124	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"531368"	689.050324	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"907712"	229.011924	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"61363"	476.057671	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"501286"	706.076871	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"876537"	246.038471	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"42251"	481.013066	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"483998"	711.032266	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"862778"	250.993866	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1624778"	250.993866	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"99118"	247.000263	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"540865"	362.009863	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"930007"	131.990663	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"272939"	495.007802	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"666456"	725.027002	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1276671"	264.988602	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"28706"	496.987006	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"467535"	727.006206	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"843152"	266.967806	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1566640"	266.967806	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"952335"	275.017394	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"369458"	505.036601	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"354433"	519.052251	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1498893"	289.033051	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"958823"	296.999351	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"111085"	264.988602	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"551011"	379.998202	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1031364"	149.979002	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1250943"	308.938085	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1318134"	310.994072	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1333081"	332.976029	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"923773"	343.004786	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1299753"	378.981464	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1374631"	195.006524	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1396501"	213.0165	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"285254"	461.045676	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"683145"	691.064876	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1351956"	231.026476	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"129466"	231.026476	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"567199"	346.036076	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1050591"	116.016876	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"219220"	154.353409333333	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"656592"	231.026476	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1172894"	77.6803426666667	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"431792"	478.072223	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"791694"	708.091423	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1684746"	248.053023	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"337398"	239.5397495	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"728727"	354.5493495	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1489109"	124.5301495	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"401228"	483.027618	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"762224"	713.046818	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1613603"	253.008418	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"324734"	242.017447	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"717156"	357.027047	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1473530"	127.007847	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1064951"	85.0076566666667	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1268089"	263.052686	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"383383"	499.001558	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"743284"	729.020758	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1542056"	268.982358	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"300445"	250.004417	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"698213"	365.014017	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1453123"	134.994817	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"239901"	502.072226	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1215161"	272.053026	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1194577"	136.530151	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"188708"	505.00956	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"629519"	735.02876	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1131700"	274.99036	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"173160"	253.008418	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"613571"	368.018018	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1116234"	137.998818	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1408518"	92.3349706666667	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1443916"	277.031946	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"233251"	258.04144	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1521313"	291.08399	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"420271"	260.995388	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"774703"	376.004988	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1672127"	145.985788	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"255367"	524.054168	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1230264"	294.034968	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1721336"	294.058493	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1183778"	99.6622846666667	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1654401"	299.013888	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"159071"	536.95744	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"598390"	766.97664	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1092994"	306.93824	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"150539"	268.982358	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"587181"	383.991958	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1076797"	153.972758	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1107091"	308.952792	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1343477"	309.040407	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1012005"	313.079576	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1531227"	314.073208	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"991233"	157.043426	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1599839"	314.987828	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1426591"	345.019338	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1155789"	177.556701	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1700964"	362.045885	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1636614"	367.00128	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1572267"	382.97522	"C01112"	"D-Arabinose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"816800"	260.0297	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M"	0
"987105"	241.01131	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"74253"	172.345857333333	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"512719"	259.022424	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"885053"	85.6692906666667	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"2898"	259.022424	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"448656"	389.037274	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"823178"	129.007574	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"88639"	519.052124	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"526011"	779.081824	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"905999"	259.022424	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"59646"	536.078671	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"494467"	796.108371	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"874460"	276.048971	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"43454"	541.034066	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"481921"	801.063766	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"861908"	281.004366	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1625980"	281.004366	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"97769"	277.010763	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"539882"	407.025613	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"932303"	146.995913	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"274141"	555.028802	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"669846"	815.058502	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1280061"	294.999102	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"30272"	557.008006	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"470197"	817.037706	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"845449"	296.978306	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1566750"	296.978306	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"953538"	305.027894	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"372848"	565.057601	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"355272"	579.073251	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1502283"	319.043551	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"965453"	327.009851	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"114362"	294.999102	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"550638"	425.013952	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1030381"	164.984252	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1251053"	338.948585	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1317515"	341.004572	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1333190"	362.986529	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"924247"	373.015286	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1299862"	408.991964	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1372555"	225.017024	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1393332"	243.027	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"286457"	521.066676	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"676324"	781.096376	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1352669"	261.036976	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"127389"	261.036976	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"566213"	391.051826	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1051795"	131.022126	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"218843"	174.360409333333	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"657066"	261.036976	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1175191"	87.6838426666667	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"430809"	538.093223	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"792898"	798.122923	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1686313"	278.063523	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"337508"	269.5502495	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"728837"	399.5650995	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1490312"	139.5353995	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"399151"	543.048618	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"764521"	803.078318	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1613713"	283.018918	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"324844"	272.027947	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"717266"	402.042797	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1473639"	142.013097	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1065063"	95.0111566666667	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1270022"	293.063186	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"388961"	559.022558	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"748861"	819.052258	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1544354"	298.992858	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"303715"	280.014917	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"698323"	410.029767	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1452139"	150.000067	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"241835"	562.093226	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1216000"	302.063526	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1194483"	151.535401	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"188779"	565.03056	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"628624"	825.06026	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1132294"	305.00086	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"173276"	283.018918	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"612912"	413.033768	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1116953"	153.004068	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1408628"	102.338470666667	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1442932"	307.042446	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"235148"	288.05194	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1522880"	321.09449	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"422203"	291.005888	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"779188"	421.020738	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1673332"	160.991038	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"257298"	584.075168	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1233654"	324.045468	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1721446"	324.068993	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1183524"	109.665784666667	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1659978"	329.024388	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"162465"	596.97844	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"604214"	857.00814	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1094562"	336.94874	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"153566"	298.992858	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"592030"	429.007708	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1079094"	168.978008	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1110481"	338.963292	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1348691"	339.050907	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1014302"	343.090076	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1535711"	344.083708	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"995596"	172.048676	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1597763"	344.998328	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1426701"	375.029838	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1154805"	192.561951	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1697546"	392.056385	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1636725"	397.01178	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1571404"	412.98572	"C01113"	"D-Galactose 6-phosphate;6-Phospho-D-galactose"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"815870"	148.0372	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M"	0
"987944"	129.01881	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"74363"	97.6841906666667	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"509549"	147.029924	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"887351"	48.3384573333333	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"7019"	147.029924	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"448766"	221.048524	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"823288"	73.011324	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"88749"	295.067124	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"526121"	443.104324	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"903922"	147.029924	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"60363"	312.093671	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"496765"	460.130871	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"874569"	164.056471	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"43563"	317.049066	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"485190"	465.086266	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"861654"	169.011866	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1623903"	169.011866	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"95693"	165.018263	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"539992"	239.036863	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"932413"	90.999663	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"273158"	331.043802	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"663396"	479.081002	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1280171"	183.006602	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"29289"	333.023006	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"467755"	481.060206	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"846652"	184.985806	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1563578"	184.985806	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"950368"	193.035394	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"371865"	341.072601	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"353560"	355.088251	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1505674"	207.051051	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"965563"	215.017351	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"114472"	183.006602	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"551844"	257.025202	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1030491"	108.988002	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1251163"	226.956085	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1319447"	229.012072	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1333300"	250.994029	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"923993"	261.022786	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1299972"	296.999464	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1374851"	113.024524	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1394535"	131.0345	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"283448"	297.081676	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"676189"	445.118876	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1352415"	149.044476	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"127134"	149.044476	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"566080"	223.063076	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1051177"	75.025876	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"218346"	99.6987426666667	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"658271"	149.044476	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1174209"	50.3530093333333	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"432011"	314.108223	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"795195"	462.145423	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1688246"	166.071023	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"337617"	157.5577495	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"735507"	231.5763495	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1481674"	83.5391495	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"398168"	319.063618	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"764631"	467.100818	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1610543"	171.026418	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"324954"	160.035447	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"720656"	234.054047	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1475208"	86.016847	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1066266"	57.6803233333333	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1269767"	181.070686	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"391258"	335.037558	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"748972"	483.074758	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1547744"	187.000358	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"304919"	168.022417	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"701712"	242.041017	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1453342"	94.003817	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"241945"	338.108226	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1216839"	190.071026	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1194279"	95.539151	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"188593"	341.04556	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"628729"	489.08276	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1131593"	193.00836	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"173994"	171.026418	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"613229"	245.045018	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1117552"	97.007818	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1406551"	65.0076373333333	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1436479"	195.049946	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"231643"	176.05944	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1523599"	209.10199	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"423163"	179.013388	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"776019"	253.031988	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1673443"	104.994788	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"259961"	360.090168	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1231580"	212.052968	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1719373"	212.076493	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1186915"	72.3349513333333	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1661913"	217.031888	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"163668"	372.99344	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"601044"	521.03064	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1093213"	224.95624	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"154038"	187.000358	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"590681"	261.018958	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1081391"	112.981758	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1110591"	226.970792	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1346977"	227.058407	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1011132"	231.097576	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1533635"	232.091208	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"993520"	116.052426	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1597873"	233.005828	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1427905"	263.037338	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1156008"	136.565701	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1701184"	280.063885	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1636834"	285.01928	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1571514"	300.99322	"C01114"	"L-Arabinono-14-lactone;L-Arabonolactone"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"815978"	178.0477	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M"	0
"988056"	159.02931	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"77759"	117.691190666667	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"512940"	177.040424	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"887461"	58.3419573333333	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"7129"	177.040424	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"449970"	266.064274	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"824491"	88.016574	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"93484"	355.088124	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"532186"	533.135824	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"907314"	177.040424	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"62055"	372.114671	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"501738"	550.162371	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"878208"	194.066971	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"45863"	377.070066	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"484942"	555.117766	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"862863"	199.022366	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1625107"	199.022366	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"96169"	195.028763	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"540103"	284.052613	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"932528"	106.004913	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"273271"	391.064802	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"663506"	569.112502	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1280282"	213.017102	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"27213"	393.044006	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"468960"	571.091706	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"845305"	214.996306	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1563688"	214.996306	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"947197"	223.045894	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"366506"	401.093601	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"352576"	415.109251	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1499222"	237.061551	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"968954"	245.027851	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"122968"	213.017102	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"558516"	302.040952	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1032790"	123.993252	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1255286"	256.966585	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1317371"	259.022572	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1334139"	281.004529	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"925928"	291.033286	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1302636"	327.009964	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1381162"	143.035024	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1396106"	161.045	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"287772"	357.102676	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"676913"	535.150376	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1354354"	179.054976	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"126880"	179.054976	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"568258"	268.078826	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1050193"	90.031126	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"216634"	119.705742666667	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"657532"	179.054976	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1173590"	60.3565093333333	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"437228"	374.129223	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"794213"	552.176923	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1689450"	196.081523	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"338821"	187.5682495	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"729057"	276.5920995	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1483971"	98.5443995	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"408001"	379.084618	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"761461"	557.132318	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1610653"	201.036918	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"326158"	190.045947	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"721498"	279.069797	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1476290"	101.022097	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1068081"	67.6838233333333	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1272066"	211.081186	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"388452"	395.058558	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"750905"	573.106258	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1548949"	217.010858	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"305030"	198.032917	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"698545"	287.056767	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1451269"	109.009067	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"244243"	398.129226	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1216951"	220.081526	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1194345"	110.544401	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"190423"	401.06656	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"628843"	579.11426	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1131353"	223.01886	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"173701"	201.036918	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"613705"	290.060768	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1122039"	112.013068	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1412129"	75.0111373333333	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1444489"	225.060446	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"228473"	206.06994	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1521279"	239.11249	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"422421"	209.023888	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"780501"	298.047738	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1677561"	120.000038	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"261165"	420.111168	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1230596"	242.063468	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1718390"	242.086993	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1183377"	82.3384513333333	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1655824"	247.042388	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"160499"	433.01444	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"597586"	611.06214	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1094416"	254.96674	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"152690"	217.010858	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"591522"	306.034708	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1080409"	127.987008	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1112888"	256.981292	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1346723"	257.068907	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1011242"	261.108076	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1537027"	262.101708	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"996913"	131.057676	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1600169"	263.016328	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1428379"	293.047838	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1161221"	151.570951	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1702388"	310.074385	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1638038"	315.02978	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1573690"	331.00372	"C01115"	"L-Galactono-14-lactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"815723"	219.0743	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M"	0
"986342"	200.05591	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-H2O-H"	-19.01839
"77502"	145.042257333333	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M-3H"	-3.021828
"516330"	218.067024	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M-3H"	-3.021828
"893039"	72.0174906666667	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-3H"	-3.021828
"7239"	218.067024	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M-2H"	-2.014552
"450080"	327.604174	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M-2H"	-2.014552
"824601"	108.529874	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-2H"	-2.014552
"93595"	437.141324	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M-H"	-1.007276
"533273"	656.215624	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M-H"	-1.007276
"909368"	218.067024	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-H"	-1.007276
"61920"	454.167871	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M-2H+NH4"	16.019271
"500267"	673.242171	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M-2H+NH4"	16.019271
"879580"	235.093571	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-2H+NH4"	16.019271
"45856"	459.123266	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M-2H+Na"	20.974666
"485657"	678.197566	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M-2H+Na"	20.974666
"858601"	240.048966	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-2H+Na"	20.974666
"1627405"	240.048966	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Na-2H"	20.974666
"96642"	236.055363	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M-H+Cl"	33.962126
"540215"	345.592513	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M-H+Cl"	33.962126
"938106"	126.518213	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-H+Cl"	33.962126
"275569"	473.118002	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+Cl"	34.969402
"673092"	692.192302	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+Cl"	34.969402
"1286589"	254.043702	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Cl"	34.969402
"29509"	475.097206	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M-2H+K"	36.948606
"469069"	694.171506	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M-2H+K"	36.948606
"845779"	256.022906	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-2H+K"	36.948606
"1562704"	256.022906	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+K-2H"	36.948606
"950589"	264.072494	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-H+HCOOH"	44.998194
"366616"	483.146801	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+HCOOH-H"	44.998201
"350500"	497.162451	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+Hac-H"	59.013851
"1499335"	278.088151	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Hac-H"	59.013851
"971252"	286.054451	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-H+NaCOOH"	66.980151
"122714"	254.043702	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+2Cl"	69.938804
"558627"	363.580852	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+2Cl"	69.938804
"1033993"	144.506552	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2Cl"	69.938804
"1255396"	297.993185	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Br"	78.918885
"1313832"	300.049172	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Cl+HCOOH"	80.974872
"1334249"	322.031129	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Cl+NaCOOH"	102.956829
"926401"	332.059886	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M-H+CF3COOH"	112.985586
"1303475"	368.036564	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Cl+CF3COOH"	148.962264
"1378356"	184.061624	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H-2H2O"	-35.012676
"1392569"	202.0716	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H-H2O"	-17.0027
"288978"	439.155876	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+H"	1.007276
"677023"	658.230176	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+H"	1.007276
"1352639"	220.081576	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H"	1.007276
"128083"	220.081576	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+2H"	2.014552
"577496"	329.618726	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+2H"	2.014552
"1051036"	110.544426	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2H"	2.014552
"218571"	147.056809333333	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+3H"	3.021828
"657769"	220.081576	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+3H"	3.021828
"1174793"	74.0320426666667	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+3H"	3.021828
"437583"	456.182423	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+NH4"	18.033823
"799062"	675.256723	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+NH4"	18.033823
"1693936"	237.108123	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+NH4"	18.033823
"338930"	228.5948495	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+H+NH4"	19.041099
"733539"	338.1319995	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+H+NH4"	19.041099
"1484081"	119.0576995	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H+NH4"	19.041099
"402762"	461.137818	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+Na"	22.989218
"758290"	680.212118	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+Na"	22.989218
"1612950"	242.063518	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Na"	22.989218
"325174"	231.072547	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+H+Na"	23.996494
"720882"	340.609697	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+H+Na"	23.996494
"1468135"	121.535397	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H+Na"	23.996494
"1066978"	81.3593566666667	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2H+Na"	25.00377
"1271693"	252.107786	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+CH3OH+H"	33.033486
"391846"	477.111758	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+K"	38.963158
"752110"	696.186058	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+K"	38.963158
"1547967"	258.037458	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+K"	38.963158
"307328"	239.059517	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+H+K"	39.970434
"697562"	348.596667	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+H+K"	39.970434
"1450285"	129.522367	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H+K"	39.970434
"241072"	480.182426	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+ACN+H"	42.033826
"1215967"	261.108126	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+ACN+H"	42.033826
"1194865"	131.057701	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+ACN+2H"	43.041102
"188751"	483.11976	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+2Na-H"	44.97116
"628584"	702.19406	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+2Na-H"	44.97116
"1131779"	264.04546	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2Na-H"	44.97116
"173107"	242.063518	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+2Na"	45.978436
"626301"	351.600668	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+2Na"	45.978436
"1127990"	132.526368	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2Na"	45.978436
"1412852"	88.6866706666667	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H+2Na"	46.985712
"1439981"	266.087046	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H+HCOOH"	47.012746
"231501"	247.09654	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+3H2O+2H"	56.04448
"1521996"	280.13909	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+IsoProp+H"	61.06479
"420708"	250.050488	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+Na+K"	61.952376
"777330"	359.587638	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+Na+K"	61.952376
"1672565"	140.513338	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Na+K"	61.952376
"261279"	502.164368	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+ACN+Na"	64.015768
"1227788"	283.090068	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+ACN+Na"	64.015768
"1715215"	283.113593	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+NH4+HCOOH"	64.039293
"1182757"	96.0139846666667	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+3Na"	68.967654
"1653749"	288.068988	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Na+HCOOH"	68.994688
"160610"	515.06764	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+2K-H"	76.91904
"597697"	734.14194	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+2K-H"	76.91904
"1091247"	295.99334	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2K-H"	76.91904
"153896"	258.037458	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"2M+2K"	77.926316
"595280"	367.574608	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"3M+2K"	77.926316
"1082223"	148.500308	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2K"	77.926316
"1114095"	298.007892	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2K+H"	78.933592
"1340638"	298.095507	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+DMSO+H"	79.021207
"1021206"	302.134676	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2ACN+H"	83.060376
"1537139"	303.128308	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+IsoProp+Na+H"	84.054008
"1000303"	151.570976	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+2ACN+2H"	84.067652
"1601373"	304.042928	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+K+HCOOH"	84.968628
"1428129"	334.074438	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+H+CF3COOH"	115.000138
"1148573"	172.084251	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+3ACN+2H"	125.094202
"1702498"	351.100985	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+NH4+CF3COOH"	132.026685
"1639242"	356.05638	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+Na+CF3COOH"	136.98208
"1575990"	372.03032	"C01118"	"O-Succinyl-L-homoserine;O4-Succinyl-L-homoserine;O-Succinylhomoserine"	"C8H13NO6"	"219.0743"	"M+K+CF3COOH"	152.95602
"815836"	151.9966	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M"	0
"987183"	132.97821	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-H2O-H"	-19.01839
"77249"	100.323790666667	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M-3H"	-3.021828
"518502"	150.989324	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M-3H"	-3.021828
"894609"	49.6582573333333	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-3H"	-3.021828
"13790"	150.989324	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M-2H"	-2.014552
"455382"	226.987624	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M-2H"	-2.014552
"831639"	74.991024	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-2H"	-2.014552
"93708"	302.985924	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M-H"	-1.007276
"533993"	454.982524	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M-H"	-1.007276
"910943"	150.989324	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-H"	-1.007276
"59722"	320.012471	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M-2H+NH4"	16.019271
"502203"	472.009071	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M-2H+NH4"	16.019271
"879247"	168.015871	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-2H+NH4"	16.019271
"45975"	324.967866	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M-2H+Na"	20.974666
"486378"	476.964466	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M-2H+Na"	20.974666
"856888"	172.971266	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-2H+Na"	20.974666
"1623140"	172.971266	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Na-2H"	20.974666
"101860"	168.977663	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M-H+Cl"	33.962126
"542516"	244.975963	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M-H+Cl"	33.962126
"934938"	92.979363	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-H+Cl"	33.962126
"272400"	338.962602	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+Cl"	34.969402
"667007"	490.959202	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+Cl"	34.969402
"1282690"	186.966002	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Cl"	34.969402
"24153"	340.941806	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M-2H+K"	36.948606
"468092"	492.938406	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M-2H+K"	36.948606
"842609"	188.945206	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-2H+K"	36.948606
"1559536"	188.945206	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+K-2H"	36.948606
"953980"	196.994794	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-H+HCOOH"	44.998194
"371103"	348.991401	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+HCOOH-H"	44.998201
"353893"	363.007051	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+Hac-H"	59.013851
"1500537"	211.010451	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Hac-H"	59.013851
"966986"	218.976751	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-H+NaCOOH"	66.980151
"116988"	186.966002	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+2Cl"	69.938804
"558738"	262.964302	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+2Cl"	69.938804
"1036941"	110.967702	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2Cl"	69.938804
"1255506"	230.915485	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Br"	78.918885
"1319414"	232.971472	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Cl+HCOOH"	80.974872
"1334361"	254.953429	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Cl+NaCOOH"	102.956829
"924689"	264.982186	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M-H+CF3COOH"	112.985586
"1303222"	300.958864	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Cl+CF3COOH"	148.962264
"1379557"	116.983924	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H-2H2O"	-35.012676
"1389398"	134.9939	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H-H2O"	-17.0027
"292365"	305.000476	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+H"	1.007276
"679320"	456.997076	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+H"	1.007276
"1351778"	153.003876	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H"	1.007276
"132933"	153.003876	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+2H"	2.014552
"577971"	229.002176	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+2H"	2.014552
"1051145"	77.005576	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2H"	2.014552
"218925"	102.338342666667	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+3H"	3.021828
"657877"	153.003876	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+3H"	3.021828
"1176976"	51.6728093333333	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+3H"	3.021828
"436356"	322.027023	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+NH4"	18.033823
"795529"	474.023623	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+NH4"	18.033823
"1694778"	170.030423	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+NH4"	18.033823
"342324"	161.5171495	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+H+NH4"	19.041099
"730371"	237.5154495	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+H+NH4"	19.041099
"1490027"	85.5188495	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H+NH4"	19.041099
"407250"	326.982418	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+Na"	22.989218
"764962"	478.979018	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+Na"	22.989218
"1614886"	174.985818	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Na"	22.989218
"326745"	163.994847	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+H+Na"	23.996494
"721727"	239.993147	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+H+Na"	23.996494
"1475305"	87.996547	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H+Na"	23.996494
"1067941"	59.0001233333333	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2H+Na"	25.00377
"1272044"	185.030086	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+CH3OH+H"	33.033486
"391590"	342.956358	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+K"	38.963158
"751855"	494.952958	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+K"	38.963158
"1549168"	190.959758	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+K"	38.963158
"309987"	171.981817	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+H+K"	39.970434
"696575"	247.980117	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+H+K"	39.970434
"1453674"	95.983517	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H+K"	39.970434
"244463"	346.027026	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+ACN+H"	42.033826
"1216078"	194.030426	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+ACN+H"	42.033826
"1195097"	97.518851	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+ACN+2H"	43.041102
"189349"	348.96436	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+2Na-H"	44.97116
"630936"	500.96096	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+2Na-H"	44.97116
"1139183"	196.96776	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2Na-H"	44.97116
"176639"	174.985818	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+2Na"	45.978436
"626047"	250.984118	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+2Na"	45.978436
"1130534"	98.987518	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2Na"	45.978436
"1410164"	66.3274373333333	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H+2Na"	46.985712
"1443009"	199.009346	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H+HCOOH"	47.012746
"234530"	180.01884	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+3H2O+2H"	56.04448
"1520038"	213.06139	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+IsoProp+H"	61.06479
"421549"	182.972788	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+Na+K"	61.952376
"784974"	258.971088	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+Na+K"	61.952376
"1678874"	106.974488	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Na+K"	61.952376
"258467"	368.008968	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+ACN+Na"	64.015768
"1231909"	216.012368	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+ACN+Na"	64.015768
"1720794"	216.035893	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+NH4+HCOOH"	64.039293
"1182502"	73.6547513333333	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+3Na"	68.967654
"1656046"	220.991288	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Na+HCOOH"	68.994688
"158168"	380.91224	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+2K-H"	76.91904
"601375"	532.90884	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+2K-H"	76.91904
"1098901"	228.91564	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2K-H"	76.91904
"153643"	190.959758	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"2M+2K"	77.926316
"594296"	266.958058	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"3M+2K"	77.926316
"1080994"	114.961458	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2K"	77.926316
"1109829"	230.930192	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2K+H"	78.933592
"1344028"	231.017807	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+DMSO+H"	79.021207
"1021278"	235.056976	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2ACN+H"	83.060376
"1537249"	236.050608	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+IsoProp+Na+H"	84.054008
"1002601"	118.032126	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+2ACN+2H"	84.067652
"1600027"	236.965228	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+K+HCOOH"	84.968628
"1428236"	266.996738	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+H+CF3COOH"	115.000138
"1159618"	138.545401	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+3ACN+2H"	125.094202
"1710263"	284.023285	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+NH4+CF3COOH"	132.026685
"1641539"	288.97868	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+Na+CF3COOH"	136.98208
"1572089"	304.95262	"C01119"	"Oxidized dithiothreitol"	"C4H8O2S2"	"151.9966"	"M+K+CF3COOH"	152.95602
"815946"	381.2644	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M"	0
"988385"	362.24601	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-H2O-H"	-19.01839
"77848"	253.168990666667	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M-3H"	-3.021828
"518180"	380.257124	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M-3H"	-3.021828
"895536"	126.080857333333	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-3H"	-3.021828
"15443"	380.257124	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M-2H"	-2.014552
"455612"	570.889324	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M-2H"	-2.014552
"831264"	189.624924	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-2H"	-2.014552
"93702"	761.521524	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M-H"	-1.007276
"533736"	1142.785924	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M-H"	-1.007276
"909591"	380.257124	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-H"	-1.007276
"59832"	778.548071	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M-2H+NH4"	16.019271
"500366"	1159.812471	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M-2H+NH4"	16.019271
"879779"	397.283671	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-2H+NH4"	16.019271
"46940"	783.503466	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M-2H+Na"	20.974666
"486120"	1164.767866	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M-2H+Na"	20.974666
"855905"	402.239066	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-2H+Na"	20.974666
"1625438"	402.239066	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Na-2H"	20.974666
"101970"	398.245463	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M-H+Cl"	33.962126
"541533"	588.877663	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M-H+Cl"	33.962126
"933955"	207.613263	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-H+Cl"	33.962126
"270323"	797.498202	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+Cl"	34.969402
"667117"	1178.762602	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+Cl"	34.969402
"1282800"	416.233802	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Cl"	34.969402
"29367"	799.477406	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M-2H+K"	36.948606
"469291"	1180.741806	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M-2H+K"	36.948606
"840532"	418.213006	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-2H+K"	36.948606
"1565113"	418.213006	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+K-2H"	36.948606
"949716"	426.262594	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-H+HCOOH"	44.998194
"372306"	807.527001	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+HCOOH-H"	44.998201
"354003"	821.542651	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+Hac-H"	59.013851
"1500647"	440.278251	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Hac-H"	59.013851
"967095"	448.244551	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-H+NaCOOH"	66.980151
"117098"	416.233802	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+2Cl"	69.938804
"559941"	606.866002	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+2Cl"	69.938804
"1036036"	225.601602	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2Cl"	69.938804
"1255980"	460.183285	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Br"	78.918885
"1317338"	462.239272	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Cl+HCOOH"	80.974872
"1329367"	484.221229	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Cl+NaCOOH"	102.956829
"924435"	494.249986	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M-H+CF3COOH"	112.985586
"1302603"	530.226664	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Cl+CF3COOH"	148.962264
"1378573"	346.251724	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H-2H2O"	-35.012676
"1387321"	364.2617	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H-H2O"	-17.0027
"287007"	763.536076	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+H"	1.007276
"679427"	1144.800476	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+H"	1.007276
"1352858"	382.271676	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H"	1.007276
"131950"	382.271676	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+2H"	2.014552
"577350"	572.903876	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+2H"	2.014552
"1051619"	191.639476	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2H"	2.014552
"219397"	255.183542666667	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+3H"	3.021828
"659080"	382.271676	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+3H"	3.021828
"1176840"	128.095409333333	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+3H"	3.021828
"436102"	780.562623	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+NH4"	18.033823
"796369"	1161.827023	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+NH4"	18.033823
"1694157"	399.298223	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+NH4"	18.033823
"341341"	390.7849495	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+H+NH4"	19.041099
"730481"	581.4171495	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+H+NH4"	19.041099
"1491593"	200.1527495	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H+NH4"	19.041099
"408211"	785.518018	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+Na"	22.989218
"767259"	1166.782418	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+Na"	22.989218
"1616087"	404.253618	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Na"	22.989218
"327583"	393.262647	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+H+Na"	23.996494
"721955"	583.894847	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+H+Na"	23.996494
"1475653"	202.630447	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H+Na"	23.996494
"1066710"	135.422723333333	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2H+Na"	25.00377
"1270938"	414.297886	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+CH3OH+H"	33.033486
"392552"	801.491958	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+K"	38.963158
"753059"	1182.756358	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+K"	38.963158
"1554381"	420.227558	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+K"	38.963158
"308640"	401.249617	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+H+K"	39.970434
"696686"	591.881817	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+H+K"	39.970434
"1454878"	210.617417	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H+K"	39.970434
"242386"	804.562626	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+ACN+H"	42.033826
"1218375"	423.298226	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+ACN+H"	42.033826
"1194597"	212.152751	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+ACN+2H"	43.041102
"191853"	807.49996	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+2Na-H"	44.97116
"629221"	1188.76436	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+2Na-H"	44.97116
"1139293"	426.23556	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2Na-H"	44.97116
"174439"	404.253618	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+2Na"	45.978436
"623241"	594.885818	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+2Na"	45.978436
"1129916"	213.621418	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2Na"	45.978436
"1410274"	142.750037333333	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H+2Na"	46.985712
"1440203"	428.277146	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H+HCOOH"	47.012746
"233180"	409.28664	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+3H2O+2H"	56.04448
"1522335"	442.32919	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+IsoProp+H"	61.06479
"422023"	412.240588	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+Na+K"	61.952376
"784109"	602.872788	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+Na+K"	61.952376
"1680077"	221.608388	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Na+K"	61.952376
"263681"	826.544568	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+ACN+Na"	64.015768
"1229829"	445.280168	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+ACN+Na"	64.015768
"1718351"	445.303693	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+NH4+HCOOH"	64.039293
"1181521"	150.077351333333	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+3Na"	68.967654
"1652876"	450.259088	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Na+HCOOH"	68.994688
"157671"	839.44784	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+2K-H"	76.91904
"601485"	1220.71224	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+2K-H"	76.91904
"1098761"	458.18344	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2K-H"	76.91904
"152660"	420.227558	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"2M+2K"	77.926316
"595380"	610.859758	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"3M+2K"	77.926316
"1082079"	229.595358	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2K"	77.926316
"1108846"	460.197992	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2K+H"	78.933592
"1340858"	460.285607	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+DMSO+H"	79.021207
"1020697"	464.324776	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2ACN+H"	83.060376
"1536266"	465.318408	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+IsoProp+Na+H"	84.054008
"1001618"	232.666026	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+2ACN+2H"	84.067652
"1601473"	466.233028	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+K+HCOOH"	84.968628
"1429197"	496.264538	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+H+CF3COOH"	115.000138
"1159728"	253.179301	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+3ACN+2H"	125.094202
"1710373"	513.291085	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+NH4+CF3COOH"	132.026685
"1641649"	518.24648	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+Na+CF3COOH"	136.98208
"1572199"	534.22042	"C01120"	"Sphinganine 1-phosphate;Dihydrosphingosine 1-phosphate"	"C18H40NO5P"	"381.2644"	"M+K+CF3COOH"	152.95602
"816419"	342.1053	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M"	0
"989224"	323.08691	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-H2O-H"	-19.01839
"78117"	227.062924	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M-3H"	-3.021828
"518006"	341.098024	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M-3H"	-3.021828
"895367"	113.027824	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-3H"	-3.021828
"15512"	341.098024	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M-2H"	-2.014552
"455117"	512.150674	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M-2H"	-2.014552
"832346"	170.045374	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-2H"	-2.014552
"94134"	683.203324	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M-H"	-1.007276
"533929"	1025.308624	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M-H"	-1.007276
"910065"	341.098024	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-H"	-1.007276
"59942"	700.229871	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M-2H+NH4"	16.019271
"500476"	1042.335171	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M-2H+NH4"	16.019271
"879257"	358.124571	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-2H+NH4"	16.019271
"46546"	705.185266	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M-2H+Na"	20.974666
"486595"	1047.290566	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M-2H+Na"	20.974666
"856014"	363.079966	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-2H+Na"	20.974666
"1626641"	363.079966	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Na-2H"	20.974666
"104266"	359.086363	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M-H+Cl"	33.962126
"542736"	530.139013	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M-H+Cl"	33.962126
"934065"	188.033713	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-H+Cl"	33.962126
"271161"	719.180002	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+Cl"	34.969402
"664311"	1061.285302	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+Cl"	34.969402
"1282910"	377.074702	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Cl"	34.969402
"26561"	721.159206	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M-2H+K"	36.948606
"467214"	1063.264506	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M-2H+K"	36.948606
"842828"	379.053906	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-2H+K"	36.948606
"1565223"	379.053906	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+K-2H"	36.948606
"950919"	387.103494	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-H+HCOOH"	44.998194
"372416"	729.208801	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+HCOOH-H"	44.998201
"356299"	743.224451	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+Hac-H"	59.013851
"1500028"	401.119151	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Hac-H"	59.013851
"967205"	409.085451	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-H+NaCOOH"	66.980151
"118301"	377.074702	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+2Cl"	69.938804
"560051"	548.127352	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+2Cl"	69.938804
"1036265"	206.022052	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2Cl"	69.938804
"1256090"	421.024185	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Br"	78.918885
"1317084"	423.080172	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Cl+HCOOH"	80.974872
"1333487"	445.062129	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Cl+NaCOOH"	102.956829
"922359"	455.090886	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M-H+CF3COOH"	112.985586
"1300525"	491.067564	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Cl+CF3COOH"	148.962264
"1380506"	307.092624	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H-2H2O"	-35.012676
"1387431"	325.1026	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H-H2O"	-17.0027
"288212"	685.217876	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+H"	1.007276
"678809"	1027.323176	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+H"	1.007276
"1353697"	343.112576	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H"	1.007276
"128777"	343.112576	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+2H"	2.014552
"577461"	514.165226	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+2H"	2.014552
"1049176"	172.059926	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2H"	2.014552
"217806"	229.077476	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+3H"	3.021828
"655543"	343.112576	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+3H"	3.021828
"1174398"	115.042376	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+3H"	3.021828
"435848"	702.244423	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+NH4"	18.033823
"795749"	1044.349723	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+NH4"	18.033823
"1694266"	360.139123	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+NH4"	18.033823
"340358"	351.6258495	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+H+NH4"	19.041099
"730591"	522.6784995	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+H+NH4"	19.041099
"1491339"	180.5731995	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H+NH4"	19.041099
"407916"	707.199818	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+Na"	22.989218
"760808"	1049.305118	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+Na"	22.989218
"1617171"	365.094518	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Na"	22.989218
"329034"	354.103547	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+H+Na"	23.996494
"722688"	525.156197	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+H+Na"	23.996494
"1476492"	183.050897	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H+Na"	23.996494
"1067183"	122.36969	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2H+Na"	25.00377
"1272143"	375.138786	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+CH3OH+H"	33.033486
"392540"	723.173758	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+K"	38.963158
"754223"	1065.279058	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+K"	38.963158
"1554858"	381.068458	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+K"	38.963158
"311301"	362.090517	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+H+K"	39.970434
"700076"	533.143167	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+H+K"	39.970434
"1456082"	191.037867	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H+K"	39.970434
"241402"	726.244426	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+ACN+H"	42.033826
"1219578"	384.139126	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+ACN+H"	42.033826
"1194950"	192.573201	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+ACN+2H"	43.041102
"193055"	729.18176	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+2Na-H"	44.97116
"630426"	1071.28706	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+2Na-H"	44.97116
"1139403"	387.07646	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2Na-H"	44.97116
"175767"	365.094518	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+2Na"	45.978436
"626631"	536.147168	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+2Na"	45.978436
"1130878"	194.041868	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2Na"	45.978436
"1413299"	129.697004	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H+2Na"	46.985712
"1443593"	389.118046	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H+HCOOH"	47.012746
"232196"	370.12754	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+3H2O+2H"	56.04448
"1520258"	403.17009	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+IsoProp+H"	61.06479
"421040"	373.081488	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+Na+K"	61.952376
"782033"	544.134138	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+Na+K"	61.952376
"1680187"	202.028838	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Na+K"	61.952376
"264520"	748.226368	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+ACN+Na"	64.015768
"1232127"	406.121068	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+ACN+Na"	64.015768
"1723201"	406.144593	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+NH4+HCOOH"	64.039293
"1183090"	137.024318	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+3Na"	68.967654
"1654079"	411.099988	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Na+HCOOH"	68.994688
"158629"	761.12964	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+2K-H"	76.91904
"599408"	1103.23494	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+2K-H"	76.91904
"1097048"	419.02434	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2K-H"	76.91904
"155929"	381.068458	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"2M+2K"	77.926316
"596462"	552.121108	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"3M+2K"	77.926316
"1083852"	210.015808	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2K"	77.926316
"1108956"	421.038892	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2K+H"	78.933592
"1343155"	421.126507	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+DMSO+H"	79.021207
"1020687"	425.165676	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2ACN+H"	83.060376
"1538930"	426.159308	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+IsoProp+Na+H"	84.054008
"1002822"	213.086476	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+2ACN+2H"	84.067652
"1599518"	427.073928	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+K+HCOOH"	84.968628
"1428456"	457.105438	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+H+CF3COOH"	115.000138
"1159838"	233.599751	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+3ACN+2H"	125.094202
"1710483"	474.131985	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+NH4+CF3COOH"	132.026685
"1638479"	479.08738	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+Na+CF3COOH"	136.98208
"1576320"	495.06132	"C01121"	"Streptidine 6-phosphate"	"C8H19N6O7P"	"342.1053"	"M+K+CF3COOH"	152.95602
"813980"	152.1201	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M"	0
"988971"	133.10171	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"77943"	100.406124	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"513489"	151.112824	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"893479"	49.699424	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"10960"	151.112824	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"449427"	227.172874	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"832619"	75.052774	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"93906"	303.232924	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"533836"	455.353024	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908837"	151.112824	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"60785"	320.259471	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"502620"	472.379571	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"879571"	168.139371	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"45684"	325.214866	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"478323"	477.334966	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"856125"	173.094766	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1623472"	173.094766	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"103282"	169.101163	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"543939"	245.161213	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"938548"	93.041113	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"271271"	339.209602	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"664057"	491.329702	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1277553"	187.089502	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"21202"	341.188806	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"465137"	493.308906	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"839658"	189.068706	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1565333"	189.068706	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"951029"	197.118294	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"372526"	349.238401	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"354224"	363.254051	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1503057"	211.133951	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"966224"	219.100251	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"122426"	187.089502	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"565475"	263.149552	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1032245"	111.029452	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1254744"	231.038985	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1316463"	233.094972	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1332139"	255.076929	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"923926"	265.105686	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1295163"	301.082364	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1375513"	117.107424	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1388635"	135.1174	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"286863"	305.247476	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"677460"	457.367576	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1352474"	153.127376	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"139468"	153.127376	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"577206"	229.187426	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1052448"	77.067326	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"219738"	102.420676	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"657478"	153.127376	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1174508"	51.713976	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"435594"	322.274023	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"795860"	474.394123	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1691460"	170.153923	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"340832"	161.6406495	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"728514"	237.7006995	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1490720"	85.5805995	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"404297"	327.229418	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"762011"	479.349518	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1617891"	175.109318	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"329675"	164.118347	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"722785"	240.178397	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1476766"	88.058297	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1066927"	59.04129	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1271158"	185.153586	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"390094"	343.203358	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"753808"	495.323458	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1553141"	191.083258	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"310682"	172.105317	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"702373"	248.165367	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1452911"	96.045267	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"239325"	346.274026	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1211061"	194.153926	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1204673"	97.580601	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"195354"	349.21136	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"641113"	501.33146	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1139515"	197.09126	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"188520"	175.109318	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627115"	251.169368	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1129525"	99.049268	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1410494"	66.368604	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1441520"	199.132846	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"230121"	180.14234	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1522193"	213.18489	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"423335"	183.096288	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"781050"	259.156338	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1674100"	107.036238	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"257345"	368.255968	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1231146"	216.135868	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1717847"	216.159393	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1180526"	73.695918	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1652003"	221.114788	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"158985"	381.15924	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"609363"	533.27934	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1098249"	229.03914	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"157004"	191.083258	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"595477"	267.143308	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1083758"	115.023208	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1115473"	231.053692	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1350808"	231.141307	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1021049"	235.180476	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1538552"	236.174108	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1002933"	118.093876	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1595251"	237.088728	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1422004"	267.120238	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1158854"	138.607151	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1700753"	284.146785	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1641874"	289.10218	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1572176"	305.07612	"C01123"	"(-)-trans-Isopiperitenol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"813361"	362.2093	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M"	0
"983612"	343.19091	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"76230"	240.465590666667	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"517494"	361.202024	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"892503"	119.729157333333	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"13264"	361.202024	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"455010"	542.306674	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"832327"	180.097374	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"93293"	723.411324	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"533705"	1085.620624	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"911020"	361.202024	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"60167"	740.437871	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"493167"	1102.647171	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"872062"	378.228571	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"38871"	745.393266	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"475152"	1107.602566	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"854054"	383.183966	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1626868"	383.183966	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"106677"	379.190363	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"548424"	560.295013	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"935378"	198.085713	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"273934"	759.388002	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"660278"	1121.597302	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1283134"	397.178702	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"23503"	761.367206	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"465252"	1123.576506	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"845239"	399.157906	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1566540"	399.157906	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"953330"	407.207494	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"374828"	769.416801	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"355430"	783.432451	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1503170"	421.223151	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"964150"	429.189451	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"120715"	397.178702	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"564290"	578.283352	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1034549"	216.074052	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1250846"	441.128185	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1311107"	443.184172	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1326416"	465.166129	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"920755"	475.194886	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1294180"	511.171564	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1372343"	327.196624	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1386923"	345.2066	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"285879"	725.425876	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"678301"	1087.635176	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1354282"	363.216576	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"139943"	363.216576	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"573671"	544.321226	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1045750"	182.111926	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"212921"	242.480142666667	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"651388"	363.216576	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1173886"	121.743709333333	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"433878"	742.452423	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"788312"	1104.661723	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1689018"	380.243123	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"337294"	371.7298495	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"725345"	552.8344995	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1486822"	190.6251995	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"407208"	747.407818	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"767961"	1109.617118	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1617274"	385.198518	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"327551"	374.207547	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"720338"	555.312197	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1473065"	193.102897	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1059748"	129.071023333333	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1269080"	395.242786	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"387656"	763.381758	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"750472"	1125.591058	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1550337"	401.172458	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"311522"	382.194517	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"702483"	563.299167	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1455208"	201.089867	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"244912"	766.452426	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1221995"	404.243126	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1208798"	202.625201	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"199843"	769.38976	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"643865"	1131.59906	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1145104"	407.18046	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"185478"	385.198518	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"623215"	566.303168	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1124536"	204.093868	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1407696"	136.398337333333	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1436166"	409.222046	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"228777"	390.23154	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1517569"	423.27409	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"415793"	393.185488	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"777885"	574.290138	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1672030"	212.080838	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"258551"	788.434368	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1231257"	426.225068	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1713949"	426.248593	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1188783"	143.725651333333	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1665240"	431.203988	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"169913"	801.33764	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"608378"	1163.54694	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1097266"	439.12834	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"152989"	401.172458	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"592549"	582.277108	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1079249"	220.067808	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1115377"	441.142892	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1343380"	441.230507	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1015191"	445.269676	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1533317"	446.263308	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"999769"	223.138476	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1596458"	447.177928	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1417742"	477.209438	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1150218"	243.651751	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1707423"	494.235985	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1638700"	499.19138	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1576540"	515.16532	"C01124"	"18-Hydroxycorticosterone"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"813473"	128.0473	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M"	0
"989193"	109.02891	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-H2O-H"	-19.01839
"75248"	84.3575906666667	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M-3H"	-3.021828
"515541"	127.040024	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M-3H"	-3.021828
"894070"	41.6751573333333	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-3H"	-3.021828
"9000"	127.040024	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M-2H"	-2.014552
"454517"	191.063674	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M-2H"	-2.014552
"831834"	63.016374	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-2H"	-2.014552
"93282"	255.087324	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M-H"	-1.007276
"532720"	383.134624	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M-H"	-1.007276
"908824"	127.040024	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-H"	-1.007276
"58092"	272.113871	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M-2H+NH4"	16.019271
"500693"	400.161171	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M-2H+NH4"	16.019271
"874361"	144.066571	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-2H+NH4"	16.019271
"37890"	277.069266	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M-2H+Na"	20.974666
"479644"	405.116566	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M-2H+Na"	20.974666
"856350"	149.021966	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-2H+Na"	20.974666
"1632091"	149.021966	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Na-2H"	20.974666
"108496"	145.028363	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M-H+Cl"	33.962126
"547444"	209.052013	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M-H+Cl"	33.962126
"941322"	81.004713	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-H+Cl"	33.962126
"278420"	291.064002	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+Cl"	34.969402
"673036"	419.111302	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+Cl"	34.969402
"1287501"	163.016702	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Cl"	34.969402
"29451"	293.043206	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M-2H+K"	36.948606
"469375"	421.090506	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M-2H+K"	36.948606
"847906"	164.995906	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-2H+K"	36.948606
"1568842"	164.995906	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+K-2H"	36.948606
"956361"	173.045494	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-H+HCOOH"	44.998194
"370930"	301.092801	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+HCOOH-H"	44.998201
"353355"	315.108451	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+Hac-H"	59.013851
"1498907"	187.061151	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Hac-H"	59.013851
"971920"	195.027451	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-H+NaCOOH"	66.980151
"121927"	163.016702	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+2Cl"	69.938804
"563674"	227.040352	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+2Cl"	69.938804
"1030286"	98.993052	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2Cl"	69.938804
"1248771"	206.966185	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Br"	78.918885
"1308666"	209.022172	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Cl+HCOOH"	80.974872
"1323244"	231.004129	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Cl+NaCOOH"	102.956829
"915031"	241.032886	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M-H+CF3COOH"	112.985586
"1292104"	277.009564	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Cl+CF3COOH"	148.962264
"1369536"	93.034624	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H-2H2O"	-35.012676
"1391773"	111.0446	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H-H2O"	-17.0027
"294011"	257.101876	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+H"	1.007276
"684246"	385.149176	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+H"	1.007276
"1353302"	129.054576	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H"	1.007276
"136043"	129.054576	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+2H"	2.014552
"575239"	193.078226	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+2H"	2.014552
"1048777"	65.030926	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2H"	2.014552
"215948"	86.3721426666667	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+3H"	3.021828
"648219"	129.054576	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+3H"	3.021828
"1168531"	43.6897093333333	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+3H"	3.021828
"427430"	274.128423	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+NH4"	18.033823
"791705"	402.175723	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+NH4"	18.033823
"1694604"	146.081123	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+NH4"	18.033823
"340691"	137.5678495	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+H+NH4"	19.041099
"735665"	201.5914995	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+H+NH4"	19.041099
"1492164"	73.5441995	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H+NH4"	19.041099
"405618"	279.083818	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+Na"	22.989218
"765521"	407.131118	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+Na"	22.989218
"1614713"	151.036518	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Na"	22.989218
"328029"	140.045547	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+H+Na"	23.996494
"717170"	204.069197	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+H+Na"	23.996494
"1473907"	76.021897	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H+Na"	23.996494
"1065326"	51.0170233333333	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2H+Na"	25.00377
"1265910"	161.080786	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+CH3OH+H"	33.033486
"384485"	295.057758	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+K"	38.963158
"747666"	423.105058	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+K"	38.963158
"1552270"	167.010458	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+K"	38.963158
"309078"	148.032517	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+H+K"	39.970434
"699313"	212.056167	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+H+K"	39.970434
"1460923"	84.008867	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H+K"	39.970434
"251308"	298.128426	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+ACN+H"	42.033826
"1225148"	170.081126	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+ACN+H"	42.033826
"1208916"	85.544201	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+ACN+2H"	43.041102
"202639"	301.06576	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+2Na-H"	44.97116
"642436"	429.11306	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+2Na-H"	44.97116
"1144851"	173.01846	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2Na-H"	44.97116
"183403"	151.036518	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+2Na"	45.978436
"623691"	215.060168	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+2Na"	45.978436
"1127201"	87.012868	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2Na"	45.978436
"1411087"	58.3443373333333	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H+2Na"	46.985712
"1443934"	175.060046	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H+HCOOH"	47.012746
"234599"	156.06954	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+3H2O+2H"	56.04448
"1523027"	189.11209	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+IsoProp+H"	61.06479
"418095"	159.023488	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+Na+K"	61.952376
"780549"	223.047138	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+Na+K"	61.952376
"1667398"	94.999838	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Na+K"	61.952376
"254286"	320.110368	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+ACN+Na"	64.015768
"1228816"	192.063068	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+ACN+Na"	64.015768
"1727800"	192.086593	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+NH4+HCOOH"	64.039293
"1194142"	65.6716513333333	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+3Na"	68.967654
"1659887"	197.041988	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Na+HCOOH"	68.994688
"172216"	333.01364	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+2K-H"	76.91904
"611413"	461.06094	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+2K-H"	76.91904
"1099574"	204.96634	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2K-H"	76.91904
"156793"	167.010458	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"2M+2K"	77.926316
"596963"	231.034108	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"3M+2K"	77.926316
"1081426"	102.986808	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2K"	77.926316
"1111482"	206.980892	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2K+H"	78.933592
"1350299"	207.068507	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+DMSO+H"	79.021207
"1018583"	211.107676	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2ACN+H"	83.060376
"1534528"	212.101308	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+IsoProp+Na+H"	84.054008
"997694"	106.057476	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+2ACN+2H"	84.067652
"1588916"	213.015928	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+K+HCOOH"	84.968628
"1423322"	243.047438	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+H+CF3COOH"	115.000138
"1156890"	126.570751	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+3ACN+2H"	125.094202
"1707534"	260.073985	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+NH4+CF3COOH"	132.026685
"1642094"	265.02938	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+Na+CF3COOH"	136.98208
"1573370"	281.00332	"C01125"	"Dihydro-44-dimethyl-23-furandione;2-Dehydropantoyl lactone;2-Dehydropantolactone"	"C6H8O3"	"128.0473"	"M+K+CF3COOH"	152.95602
"816376"	222.1984	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M"	0
"983830"	203.18001	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"77787"	147.124990666667	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"513828"	221.191124	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"892725"	73.0588573333333	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"13485"	221.191124	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"453046"	332.290324	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"831945"	110.091924	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"93514"	443.389524	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"533321"	665.587924	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"906017"	221.191124	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"57110"	460.416071	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"500680"	682.614471	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"875565"	238.217671	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"38000"	465.371466	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"478661"	687.569866	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"854274"	243.173066	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1624900"	243.173066	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"106904"	239.179463	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"547190"	350.278663	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"937788"	128.080263	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"277437"	479.366202	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"669860"	701.564602	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1283358"	257.167802	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"28468"	481.345406	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"467663"	703.543806	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"845829"	259.147006	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1568587"	259.147006	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"954648"	267.196594	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"373957"	489.395001	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"353464"	503.410651	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1497923"	281.212251	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"968751"	289.178551	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"121307"	257.167802	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"560504"	368.267002	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1027479"	146.068602	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1247789"	301.117285	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1307318"	303.173272	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1322992"	325.155229	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"916965"	335.183986	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1292579"	371.160664	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1370376"	187.185724	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1390060"	205.1957	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"289748"	445.404076	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"684356"	667.602476	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1353412"	223.205676	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"136518"	223.205676	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"574985"	334.304876	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1049252"	112.106476	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"210956"	149.139542666667	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"650517"	223.205676	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1169733"	75.0734093333333	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"427541"	462.430623	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790721"	684.629023	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1692526"	240.232223	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"340801"	231.7189495	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"736139"	342.8181495	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1490326"	120.6197495	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"403541"	467.386018	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"765629"	689.584418	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1612636"	245.187618	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"327045"	234.196647	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"718372"	345.295847	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1472192"	123.097447	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1063250"	82.4007233333333	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1268207"	255.231886	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"382407"	483.359958	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"744494"	705.558358	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1549827"	261.161558	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"306273"	242.183617	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"702703"	353.282817	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1459451"	131.084417	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"251094"	486.430626	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1225263"	264.232226	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1207573"	132.619751	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"201536"	489.36796	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"642188"	711.56636	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1144965"	267.16956	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"184247"	245.187618	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"625991"	356.286818	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1128402"	134.088418	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1411196"	89.7280373333333	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1441126"	269.211146	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"233736"	250.22064	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1521800"	283.26319	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"421121"	253.174588	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"782118"	364.273788	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1673342"	142.075388	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"258769"	508.412568	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1232570"	286.214168	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1717087"	286.237693	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1183533"	97.0553513333333	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1655612"	291.193088	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"165756"	521.31584	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"606411"	743.51424	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1094203"	299.11744	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"145551"	261.161558	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"582925"	372.260758	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1069621"	150.062358	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1114997"	301.131992	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1350651"	301.219607	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1021048"	305.258776	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1532451"	306.252408	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"997805"	153.133026	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1595587"	307.167028	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420152"	337.198538	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1160280"	173.646301	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1704364"	354.225085	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1642204"	359.18048	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1572021"	375.15442	"C01126"	"(2E6E)-Farnesol;2-trans6-trans-Farnesol;trans-Farnesol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"814784"	162.0164	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M"	0
"983940"	142.99801	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-H2O-H"	-19.01839
"77652"	107.003657333333	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M-3H"	-3.021828
"513939"	161.009124	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M-3H"	-3.021828
"893925"	52.9981906666667	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-3H"	-3.021828
"13595"	161.009124	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M-2H"	-2.014552
"453156"	242.017324	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M-2H"	-2.014552
"830957"	80.000924	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-2H"	-2.014552
"93987"	323.025524	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M-H"	-1.007276
"532575"	485.041924	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M-H"	-1.007276
"908315"	161.009124	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-H"	-1.007276
"58314"	340.052071	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M-2H+NH4"	16.019271
"500061"	502.068471	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M-2H+NH4"	16.019271
"874582"	178.035671	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-2H+NH4"	16.019271
"38110"	345.007466	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M-2H+Na"	20.974666
"479864"	507.023866	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M-2H+Na"	20.974666
"854384"	182.991066	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-2H+Na"	20.974666
"1626105"	182.991066	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Na-2H"	20.974666
"107010"	178.997463	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M-H+Cl"	33.962126
"547664"	260.005663	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M-H+Cl"	33.962126
"936804"	97.989263	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-H+Cl"	33.962126
"279370"	359.002202	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+Cl"	34.969402
"672158"	521.018602	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+Cl"	34.969402
"1283469"	196.985802	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Cl"	34.969402
"28942"	360.981406	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M-2H+K"	36.948606
"467772"	522.997806	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M-2H+K"	36.948606
"843386"	198.965006	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-2H+K"	36.948606
"1569061"	198.965006	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+K-2H"	36.948606
"954757"	207.014594	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-H+HCOOH"	44.998194
"374065"	369.031001	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+HCOOH-H"	44.998201
"354668"	383.046651	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+Hac-H"	59.013851
"1506780"	221.030251	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Hac-H"	59.013851
"969956"	228.996551	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-H+NaCOOH"	66.980151
"118867"	196.985802	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+2Cl"	69.938804
"561343"	277.994002	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+2Cl"	69.938804
"1026133"	115.977602	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2Cl"	69.938804
"1247170"	240.935285	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Br"	78.918885
"1311440"	242.991272	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Cl+HCOOH"	80.974872
"1324562"	264.973229	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Cl+NaCOOH"	102.956829
"915253"	275.001986	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M-H+CF3COOH"	112.985586
"1291597"	310.978664	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Cl+CF3COOH"	148.962264
"1370487"	127.003724	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H-2H2O"	-35.012676
"1390170"	145.0137	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H-H2O"	-17.0027
"290951"	325.040076	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+H"	1.007276
"685197"	487.056476	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+H"	1.007276
"1354615"	163.023676	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H"	1.007276
"136629"	163.023676	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+2H"	2.014552
"580199"	244.031876	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+2H"	2.014552
"1050821"	82.015476	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2H"	2.014552
"214347"	109.018209333333	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+3H"	3.021828
"655365"	163.023676	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+3H"	3.021828
"1168752"	55.0127426666667	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+3H"	3.021828
"428744"	342.066623	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+NH4"	18.033823
"791926"	504.083023	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+NH4"	18.033823
"1693728"	180.050223	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+NH4"	18.033823
"339818"	171.5369495	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+H+NH4"	19.041099
"735520"	252.5451495	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+H+NH4"	19.041099
"1484967"	90.5287495	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H+NH4"	19.041099
"403652"	347.022018	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+Na"	22.989218
"764647"	509.038418	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+Na"	22.989218
"1611652"	185.005618	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Na"	22.989218
"326062"	174.014647	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+H+Na"	23.996494
"716297"	255.022847	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+H+Na"	23.996494
"1471210"	93.006447	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H+Na"	23.996494
"1060079"	62.3400566666667	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2H+Na"	25.00377
"1263944"	195.049886	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+CH3OH+H"	33.033486
"382519"	362.995958	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+K"	38.963158
"745701"	525.012358	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+K"	38.963158
"1547752"	200.979558	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+K"	38.963158
"308204"	182.001617	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+H+K"	39.970434
"696252"	263.009817	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+H+K"	39.970434
"1459559"	100.993417	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H+K"	39.970434
"251164"	366.066626	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+ACN+H"	42.033826
"1225376"	204.050226	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+ACN+H"	42.033826
"1209889"	102.528751	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+ACN+2H"	43.041102
"203991"	369.00396	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+2Na-H"	44.97116
"643630"	531.02036	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+2Na-H"	44.97116
"1146164"	206.98756	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2Na-H"	44.97116
"186900"	185.005618	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+2Na"	45.978436
"623913"	266.013818	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+2Na"	45.978436
"1127786"	103.997418	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2Na"	45.978436
"1410579"	69.6673706666667	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H+2Na"	46.985712
"1441600"	209.029146	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H+HCOOH"	47.012746
"232385"	190.03864	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+3H2O+2H"	56.04448
"1520816"	223.08119	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+IsoProp+H"	61.06479
"419407"	192.992588	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+Na+K"	61.952376
"779310"	274.000788	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+Na+K"	61.952376
"1673454"	111.984388	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Na+K"	61.952376
"258879"	388.048568	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+ACN+Na"	64.015768
"1230858"	226.032168	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+ACN+Na"	64.015768
"1721572"	226.055693	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+NH4+HCOOH"	64.039293
"1181457"	76.9946846666667	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+3Na"	68.967654
"1653536"	231.011088	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Na+HCOOH"	68.994688
"164773"	400.95184	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+2K-H"	76.91904
"606521"	562.96824	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+2K-H"	76.91904
"1093220"	238.93544	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2K-H"	76.91904
"145661"	200.979558	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"2M+2K"	77.926316
"583035"	281.987758	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"3M+2K"	77.926316
"1069245"	119.971358	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2K"	77.926316
"1115229"	240.949992	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2K+H"	78.933592
"1350519"	241.037607	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+DMSO+H"	79.021207
"1020881"	245.076776	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2ACN+H"	83.060376
"1534748"	246.070408	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+IsoProp+Na+H"	84.054008
"999008"	123.042026	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+2ACN+2H"	84.067652
"1595697"	246.985028	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+K+HCOOH"	84.968628
"1420262"	277.016538	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+H+CF3COOH"	115.000138
"1159297"	143.555301	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+3ACN+2H"	125.094202
"1704474"	294.043085	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+NH4+CF3COOH"	132.026685
"1645596"	298.99848	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+Na+CF3COOH"	136.98208
"1576871"	314.97242	"C01127"	"4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid"	"C5H6O6"	"162.0164"	"M+K+CF3COOH"	152.95602
"814892"	244.0348	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M"	0
"984050"	225.01641	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H2O-H"	-19.01839
"77760"	161.682590666667	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-3H"	-3.021828
"516602"	243.027524	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-3H"	-3.021828
"893673"	80.3376573333333	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-3H"	-3.021828
"14072"	243.027524	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H"	-2.014552
"454363"	365.044924	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H"	-2.014552
"832527"	121.010124	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H"	-2.014552
"93854"	487.062324	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-H"	-1.007276
"533902"	731.097124	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-H"	-1.007276
"907698"	243.027524	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H"	-1.007276
"59517"	504.088871	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+NH4"	16.019271
"501996"	748.123671	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+NH4"	16.019271
"876879"	260.054071	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+NH4"	16.019271
"34942"	509.044266	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+Na"	20.974666
"481067"	753.079066	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+Na"	20.974666
"853401"	265.009466	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+Na"	20.974666
"1626215"	265.009466	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na-2H"	20.974666
"107117"	261.015863	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-H+Cl"	33.962126
"547046"	383.033263	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-H+Cl"	33.962126
"940196"	138.998463	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+Cl"	33.962126
"277657"	523.039002	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Cl"	34.969402
"668988"	767.073802	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Cl"	34.969402
"1283578"	279.004202	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl"	34.969402
"29782"	525.018206	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+K"	36.948606
"468975"	769.053006	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+K"	36.948606
"842403"	280.983406	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+K"	36.948606
"1565890"	280.983406	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K-2H"	36.948606
"951587"	289.032994	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+HCOOH"	44.998194
"373081"	533.067801	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+HCOOH-H"	44.998201
"358058"	547.083451	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Hac-H"	59.013851
"1503609"	303.048651	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Hac-H"	59.013851
"969705"	311.014951	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+NaCOOH"	66.980151
"120434"	279.004202	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Cl"	69.938804
"560725"	401.021602	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Cl"	69.938804
"1024053"	156.986802	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Cl"	69.938804
"1245091"	322.953685	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Br"	78.918885
"1304622"	325.009672	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+HCOOH"	80.974872
"1322848"	346.991629	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+NaCOOH"	102.956829
"914999"	357.020386	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+CF3COOH"	112.985586
"1293530"	392.997064	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+CF3COOH"	148.962264
"1372784"	209.022124	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H-2H2O"	-35.012676
"1389187"	227.0321	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H-H2O"	-17.0027
"292154"	489.076876	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H"	1.007276
"685306"	733.111676	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H"	1.007276
"1354361"	245.042076	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H"	1.007276
"136739"	245.042076	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2H"	2.014552
"574477"	367.059476	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2H"	2.014552
"1042182"	123.024676	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2H"	2.014552
"213362"	163.697142666667	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H"	3.021828
"651828"	245.042076	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+3H"	3.021828
"1165581"	82.3522093333333	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3H"	3.021828
"428853"	506.103423	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+NH4"	18.033823
"788754"	750.138223	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+NH4"	18.033823
"1689462"	262.068623	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4"	18.033823
"338831"	253.5553495	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+NH4"	19.041099
"732348"	375.5727495	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+NH4"	19.041099
"1486171"	131.5379495	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+NH4"	19.041099
"404855"	511.058818	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na"	22.989218
"764756"	755.093618	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na"	22.989218
"1613947"	267.024018	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na"	22.989218
"326173"	256.033047	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+Na"	23.996494
"716408"	378.050447	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+Na"	23.996494
"1473506"	134.015647	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+Na"	23.996494
"1061284"	89.6795233333333	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2H+Na"	25.00377
"1265149"	277.068286	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+CH3OH+H"	33.033486
"383723"	527.032758	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+K"	38.963158
"745811"	771.067558	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+K"	38.963158
"1550049"	282.997958	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K"	38.963158
"307223"	264.020017	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+K"	39.970434
"699643"	386.037417	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+K"	39.970434
"1459305"	142.002617	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+K"	39.970434
"251070"	530.103426	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+H"	42.033826
"1225358"	286.068626	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+H"	42.033826
"1209124"	143.537951	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+2H"	43.041102
"203695"	533.04076	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na-H"	44.97116
"643133"	777.07556	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na-H"	44.97116
"1145547"	289.00596	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na-H"	44.97116
"184823"	267.024018	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na"	45.978436
"624750"	389.041418	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na"	45.978436
"1129354"	145.006618	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na"	45.978436
"1410689"	97.0068373333333	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+2Na"	46.985712
"1443535"	291.047546	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+HCOOH"	47.012746
"230675"	272.05704	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H2O+2H"	56.04448
"1520926"	305.09959	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+H"	61.06479
"420612"	275.010988	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na+K"	61.952376
"782703"	397.028388	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na+K"	61.952376
"1677940"	152.993588	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+K"	61.952376
"260084"	552.085368	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+Na"	64.015768
"1232793"	308.050568	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+Na"	64.015768
"1722775"	308.074093	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+HCOOH"	64.039293
"1183753"	104.334151333333	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3Na"	68.967654
"1655103"	313.029488	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+HCOOH"	68.994688
"164883"	564.98864	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K-H"	76.91904
"606631"	809.02344	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K-H"	76.91904
"1098193"	320.95384	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K-H"	76.91904
"149052"	282.997958	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K"	77.926316
"585332"	405.015358	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K"	77.926316
"1073122"	160.980558	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K"	77.926316
"1114733"	322.968392	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K+H"	78.933592
"1350992"	323.056007	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+DMSO+H"	79.021207
"1020741"	327.095176	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+H"	83.060376
"1531578"	328.088808	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+Na+H"	84.054008
"999118"	164.051226	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+2H"	84.067652
"1592527"	329.003428	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K+HCOOH"	84.968628
"1420372"	359.034938	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+CF3COOH"	115.000138
"1157220"	184.564501	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3ACN+2H"	125.094202
"1704584"	376.061485	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+CF3COOH"	132.026685
"1644612"	381.01688	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+CF3COOH"	136.98208
"1576981"	396.99082	"C01131"	"L-Rhamnulose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K+CF3COOH"	152.95602
"816582"	221.0899	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M"	0
"984160"	202.07151	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"76777"	146.385990666667	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"517439"	220.082624	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"894150"	72.6893573333333	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"13818"	220.082624	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"453743"	330.627574	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"831543"	109.537674	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"92632"	441.172524	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"533486"	662.262424	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"907080"	220.082624	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"60358"	458.199071	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"501256"	679.288971	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"876989"	237.109171	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"42703"	463.154466	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"476803"	684.244366	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"858979"	242.064566	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1626325"	242.064566	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"106134"	238.070963	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"547885"	348.615913	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"940305"	127.526013	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"281414"	477.149202	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"672744"	698.239102	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1285510"	256.059302	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"28432"	479.128406	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"469085"	700.218306	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"845793"	258.038506	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1570010"	258.038506	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"957164"	266.088094	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"376475"	487.178001	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"359261"	501.193651	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1506999"	280.103751	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"961418"	288.070051	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"119451"	256.059302	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"559741"	366.604252	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1023799"	145.514352	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1247026"	300.008785	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1308380"	302.064772	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1325876"	324.046729	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"918026"	334.075486	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1294733"	370.052164	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1376175"	186.077224	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1393673"	204.0872	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"294450"	443.187076	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"685781"	664.276976	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1359940"	222.097176	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"133569"	222.097176	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"574587"	332.642126	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1048126"	111.552226	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"214202"	148.400542666667	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"654855"	222.097176	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1171159"	74.7039093333333	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"428963"	460.213623	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"789957"	681.303523	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1688479"	239.123723	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"337848"	230.6104495	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"732458"	341.1553995	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1486281"	120.0654995	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"404965"	465.169018	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"763771"	686.258918	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1614058"	244.079118	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"321907"	233.088147	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"716880"	343.633097	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1469608"	122.543197	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1061030"	82.0312233333333	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1267082"	254.123386	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"383833"	481.142958	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"745921"	702.232858	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1549795"	260.053058	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"306240"	241.075117	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"696473"	351.620067	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1459779"	130.530167	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"250813"	484.213626	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1225229"	263.123726	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1208259"	132.065501	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"202715"	487.15096	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"640323"	708.24086	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1143460"	266.06106	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"184204"	244.079118	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"623402"	354.624068	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1129101"	133.534168	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1412623"	89.3585373333333	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1444373"	268.102646	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"229690"	249.11214	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1520672"	282.15469	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"420358"	252.066088	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"783906"	362.611038	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1676591"	141.521138	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"260194"	506.195568	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1232903"	285.105668	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1719605"	285.129193	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1182770"	96.6858513333333	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1654849"	290.084588	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"160617"	519.09884	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"608564"	740.18874	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1094533"	298.00894	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"148069"	260.053058	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"586535"	370.598008	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1072139"	149.508108	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1114108"	300.023492	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1351064"	300.111107	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1020932"	304.150276	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1536062"	305.143908	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"1000322"	152.578776	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1592637"	306.058528	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1425949"	336.090038	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1160610"	173.092051	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1704694"	353.116585	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1645816"	358.07198	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1577091"	374.04592	"C01132"	"N-Acetyl-D-galactosamine;N-Acetyl-D-chondrosamine;2-Acetamido-2-deoxy-D-galactose"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"815841"	237.0849	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M"	0
"984270"	218.06651	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-H2O-H"	-19.01839
"73607"	157.049324	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M-3H"	-3.021828
"513177"	236.077624	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M-3H"	-3.021828
"893162"	78.021024	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-3H"	-3.021828
"9551"	236.077624	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M-2H"	-2.014552
"451298"	354.620074	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M-2H"	-2.014552
"830922"	117.535174	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-2H"	-2.014552
"92008"	473.162524	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M-H"	-1.007276
"529744"	710.247424	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M-H"	-1.007276
"900992"	236.077624	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-H"	-1.007276
"55365"	490.189071	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M-2H+NH4"	16.019271
"496018"	727.273971	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M-2H+NH4"	16.019271
"869445"	253.104171	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-2H+NH4"	16.019271
"37346"	495.144466	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M-2H+Na"	20.974666
"474726"	732.229366	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M-2H+Na"	20.974666
"857996"	258.059566	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-2H+Na"	20.974666
"1626435"	258.059566	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Na-2H"	20.974666
"105150"	254.065963	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M-H+Cl"	33.962126
"544716"	372.608413	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M-H+Cl"	33.962126
"937137"	135.523513	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-H+Cl"	33.962126
"277152"	509.139202	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+Cl"	34.969402
"668845"	746.224102	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+Cl"	34.969402
"1282706"	272.054302	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Cl"	34.969402
"25263"	511.118406	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M-2H+K"	36.948606
"466645"	748.203306	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M-2H+K"	36.948606
"843717"	274.033506	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-2H+K"	36.948606
"1568297"	274.033506	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+K-2H"	36.948606
"954724"	282.083094	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-H+HCOOH"	44.998194
"376096"	519.168001	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+HCOOH-H"	44.998201
"358278"	533.183651	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+Hac-H"	59.013851
"1506016"	296.098751	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Hac-H"	59.013851
"961527"	304.065051	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-H+NaCOOH"	66.980151
"120289"	272.054302	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+2Cl"	69.938804
"559485"	390.596752	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+2Cl"	69.938804
"1023545"	153.511852	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2Cl"	69.938804
"1249323"	316.003785	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Br"	78.918885
"1307031"	318.059772	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Cl+HCOOH"	80.974872
"1324527"	340.041729	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Cl+NaCOOH"	102.956829
"917044"	350.070486	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M-H+CF3COOH"	112.985586
"1292656"	386.047164	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Cl+CF3COOH"	148.962264
"1374098"	202.072224	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H-2H2O"	-35.012676
"1394876"	220.0822	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H-H2O"	-17.0027
"294560"	475.177076	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+H"	1.007276
"688077"	712.261976	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+H"	1.007276
"1357863"	238.092176	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H"	1.007276
"133679"	238.092176	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+2H"	2.014552
"574697"	356.634626	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+2H"	2.014552
"1048236"	119.549726	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2H"	2.014552
"211397"	159.063876	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+3H"	3.021828
"650957"	238.092176	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+3H"	3.021828
"1170178"	80.035576	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+3H"	3.021828
"431262"	492.203623	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+NH4"	18.033823
"793349"	729.288523	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+NH4"	18.033823
"1687496"	255.118723	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+NH4"	18.033823
"340148"	246.6054495	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+H+NH4"	19.041099
"731475"	365.1478995	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+H+NH4"	19.041099
"1486391"	128.0629995	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H+NH4"	19.041099
"405075"	497.159018	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+Na"	22.989218
"763881"	734.243918	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+Na"	22.989218
"1614532"	260.074118	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Na"	22.989218
"324933"	249.083147	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+H+Na"	23.996494
"715897"	367.625597	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+H+Na"	23.996494
"1470446"	130.540697	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H+Na"	23.996494
"1060410"	87.36289	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2H+Na"	25.00377
"1267192"	270.118386	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+CH3OH+H"	33.033486
"385036"	513.132958	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+K"	38.963158
"743844"	750.217858	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+K"	38.963158
"1550269"	276.048058	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+K"	38.963158
"304163"	257.070117	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+H+K"	39.970434
"695489"	375.612567	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+H+K"	39.970434
"1456973"	138.527667	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H+K"	39.970434
"248855"	516.203626	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+ACN+H"	42.033826
"1224726"	279.118726	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+ACN+H"	42.033826
"1206544"	140.063001	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+ACN+2H"	43.041102
"202575"	519.14096	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+2Na-H"	44.97116
"641156"	756.22586	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+2Na-H"	44.97116
"1142476"	282.05606	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2Na-H"	44.97116
"182492"	260.074118	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+2Na"	45.978436
"624240"	378.616568	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+2Na"	45.978436
"1125556"	141.531668	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2Na"	45.978436
"1406895"	94.690204	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H+2Na"	46.985712
"1440103"	284.097646	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H+HCOOH"	47.012746
"227611"	265.10714	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+3H2O+2H"	56.04448
"1516768"	298.14969	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+IsoProp+H"	61.06479
"414269"	268.061088	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+Na+K"	61.952376
"781464"	386.603538	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+Na+K"	61.952376
"1671597"	149.518638	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Na+K"	61.952376
"253740"	538.185568	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+ACN+Na"	64.015768
"1228636"	301.100668	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+ACN+Na"	64.015768
"1718622"	301.124193	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+NH4+HCOOH"	64.039293
"1182880"	102.017518	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+3Na"	68.967654
"1652770"	306.079588	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Na+HCOOH"	68.994688
"159634"	551.08884	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+2K-H"	76.91904
"603570"	788.17374	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+2K-H"	76.91904
"1086988"	314.00394	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2K-H"	76.91904
"144897"	276.048058	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"2M+2K"	77.926316
"587738"	394.590508	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"3M+2K"	77.926316
"1071156"	157.505608	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2K"	77.926316
"1114097"	316.018492	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2K+H"	78.933592
"1349388"	316.106107	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+DMSO+H"	79.021207
"1019134"	320.145276	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2ACN+H"	83.060376
"1535079"	321.138908	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+IsoProp+Na+H"	84.054008
"999338"	160.576276	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+2ACN+2H"	84.067652
"1592747"	322.053528	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+K+HCOOH"	84.968628
"1424966"	352.085038	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+H+CF3COOH"	115.000138
"1160720"	181.089551	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+3ACN+2H"	125.094202
"1708083"	369.111585	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+NH4+CF3COOH"	132.026685
"1644831"	374.06698	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+Na+CF3COOH"	136.98208
"1577201"	390.04092	"C01133"	"N-Acetyl-D-glucosaminate"	"C8H15NO7"	"237.0849"	"M+K+CF3COOH"	152.95602
"815222"	358.0964	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M"	0
"987660"	339.07801	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-H2O-H"	-19.01839
"74810"	237.723657333333	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M-3H"	-3.021828
"515473"	357.089124	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M-3H"	-3.021828
"893272"	118.358190666667	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-3H"	-3.021828
"10754"	357.089124	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M-2H"	-2.014552
"451407"	536.137324	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M-2H"	-2.014552
"831764"	178.040924	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-2H"	-2.014552
"91388"	715.185524	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M-H"	-1.007276
"529854"	1073.281924	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M-H"	-1.007276
"902196"	357.089124	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-H"	-1.007276
"56568"	732.212071	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M-2H+NH4"	16.019271
"493941"	1090.308471	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M-2H+NH4"	16.019271
"869555"	374.115671	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-2H+NH4"	16.019271
"37456"	737.167466	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M-2H+Na"	20.974666
"475929"	1095.263866	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M-2H+Na"	20.974666
"853730"	379.071066	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-2H+Na"	20.974666
"1622169"	379.071066	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Na-2H"	20.974666
"105260"	375.077463	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M-H+Cl"	33.962126
"544825"	554.125663	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M-H+Cl"	33.962126
"937976"	196.029263	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-H+Cl"	33.962126
"278354"	751.162202	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+Cl"	34.969402
"669684"	1109.258602	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+Cl"	34.969402
"1282452"	393.065802	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Cl"	34.969402
"24280"	753.141406	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M-2H+K"	36.948606
"466391"	1111.237806	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M-2H+K"	36.948606
"843827"	395.045006	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-2H+K"	36.948606
"1567680"	395.045006	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+K-2H"	36.948606
"955197"	403.094594	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-H+HCOOH"	44.998194
"375598"	761.191001	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+HCOOH-H"	44.998201
"355108"	775.206651	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+Hac-H"	59.013851
"1506127"	417.110251	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Hac-H"	59.013851
"961637"	425.076551	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-H+NaCOOH"	66.980151
"121492"	393.065802	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+2Cl"	69.938804
"559959"	572.114002	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+2Cl"	69.938804
"1026207"	214.017602	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2Cl"	69.938804
"1248339"	437.015285	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Br"	78.918885
"1308234"	439.071272	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Cl+HCOOH"	80.974872
"1324273"	461.053229	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Cl+NaCOOH"	102.956829
"919339"	471.081986	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M-H+CF3COOH"	112.985586
"1290215"	507.058664	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Cl+CF3COOH"	148.962264
"1372022"	323.083724	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H-2H2O"	-35.012676
"1396444"	341.0937	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H-H2O"	-17.0027
"292484"	717.200076	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+H"	1.007276
"688187"	1075.296476	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+H"	1.007276
"1357973"	359.103676	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H"	1.007276
"134153"	359.103676	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+2H"	2.014552
"574807"	538.151876	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+2H"	2.014552
"1047981"	180.055476	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2H"	2.014552
"212600"	239.738209333333	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+3H"	3.021828
"651067"	359.103676	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+3H"	3.021828
"1171381"	120.372742666667	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+3H"	3.021828
"431372"	734.226623	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+NH4"	18.033823
"793459"	1092.323023	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+NH4"	18.033823
"1689792"	376.130223	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+NH4"	18.033823
"340258"	367.6169495	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+H+NH4"	19.041099
"732314"	546.6651495	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+H+NH4"	19.041099
"1488688"	188.5687495	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H+NH4"	19.041099
"406277"	739.182018	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+Na"	22.989218
"766178"	1097.278418	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+Na"	22.989218
"1614277"	381.085618	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Na"	22.989218
"327473"	370.094647	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+H+Na"	23.996494
"717828"	549.142847	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+H+Na"	23.996494
"1468369"	191.046447	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H+Na"	23.996494
"1062707"	127.700056666667	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2H+Na"	25.00377
"1268758"	391.129886	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+CH3OH+H"	33.033486
"384052"	755.155958	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+K"	38.963158
"748327"	1113.252358	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+K"	38.963158
"1547099"	397.059558	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+K"	38.963158
"303180"	378.081617	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+H+K"	39.970434
"698879"	557.129817	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+H+K"	39.970434
"1457083"	199.033417	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H+K"	39.970434
"250668"	758.226626	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+ACN+H"	42.033826
"1224711"	400.130226	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+ACN+H"	42.033826
"1207383"	200.568751	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+ACN+2H"	43.041102
"203171"	761.16396	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+2Na-H"	44.97116
"640173"	1119.26036	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+2Na-H"	44.97116
"1136023"	403.06756	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2Na-H"	44.97116
"183696"	381.085618	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+2Na"	45.978436
"624350"	560.133818	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+2Na"	45.978436
"1125666"	202.037418	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2Na"	45.978436
"1410283"	135.027370666667	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H+2Na"	46.985712
"1434745"	405.109146	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H+HCOOH"	47.012746
"229908"	386.11864	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+3H2O+2H"	56.04448
"1516878"	419.16119	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+IsoProp+H"	61.06479
"414379"	389.072588	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+Na+K"	61.952376
"783761"	568.120788	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+Na+K"	61.952376
"1671707"	210.024388	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Na+K"	61.952376
"254943"	780.208568	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+ACN+Na"	64.015768
"1227653"	422.112168	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+ACN+Na"	64.015768
"1715453"	422.135693	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+NH4+HCOOH"	64.039293
"1182990"	142.354684666667	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+3Na"	68.967654
"1652880"	427.091088	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Na+HCOOH"	68.994688
"158651"	793.11184	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+2K-H"	76.91904
"601494"	1151.20824	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+2K-H"	76.91904
"1086005"	435.01544	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2K-H"	76.91904
"143914"	397.059558	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"2M+2K"	77.926316
"585662"	576.107758	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"3M+2K"	77.926316
"1070537"	218.011358	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2K"	77.926316
"1113235"	437.029992	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2K+H"	78.933592
"1349620"	437.117607	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+DMSO+H"	79.021207
"1014869"	441.156776	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2ACN+H"	83.060376
"1536282"	442.150408	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+IsoProp+Na+H"	84.054008
"999448"	221.082026	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+2ACN+2H"	84.067652
"1589577"	443.065028	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+K+HCOOH"	84.968628
"1423982"	473.096538	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+H+CF3COOH"	115.000138
"1159737"	241.595301	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+3ACN+2H"	125.094202
"1711473"	490.123085	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+NH4+CF3COOH"	132.026685
"1644941"	495.07848	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+Na+CF3COOH"	136.98208
"1577311"	511.05242	"C01134"	"Pantetheine 4-phosphate;4-Phosphopantetheine;Phosphopantetheine;D-Pantetheine 4-phosphate"	"C11H23N2O7PS"	"358.0964"	"M+K+CF3COOH"	152.95602
"813147"	249.0857	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M"	0
"986681"	230.06731	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-H2O-H"	-19.01839
"76022"	165.049857333333	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M-3H"	-3.021828
"515584"	248.078424	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M-3H"	-3.021828
"893385"	82.0212906666667	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-3H"	-3.021828
"14145"	248.078424	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M-2H"	-2.014552
"452612"	372.621274	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M-2H"	-2.014552
"829319"	123.535574	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-2H"	-2.014552
"91500"	497.164124	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M-H"	-1.007276
"523411"	746.249824	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M-H"	-1.007276
"903400"	248.078424	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-H"	-1.007276
"53400"	514.190671	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M-2H+NH4"	16.019271
"495146"	763.276371	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M-2H+NH4"	16.019271
"868574"	265.104971	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-2H+NH4"	16.019271
"35384"	519.146066	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M-2H+Na"	20.974666
"474946"	768.231766	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M-2H+Na"	20.974666
"857122"	270.060366	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-2H+Na"	20.974666
"1632123"	270.060366	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Na-2H"	20.974666
"106103"	266.066763	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M-H+Cl"	33.962126
"546026"	390.609613	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M-H+Cl"	33.962126
"938448"	141.523913	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-H+Cl"	33.962126
"277008"	533.140802	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+Cl"	34.969402
"670523"	782.226502	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+Cl"	34.969402
"1278555"	284.055102	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Cl"	34.969402
"26577"	535.120006	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M-2H+K"	36.948606
"466136"	784.205706	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M-2H+K"	36.948606
"844304"	286.034306	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-2H+K"	36.948606
"1566335"	286.034306	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+K-2H"	36.948606
"955307"	294.083894	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-H+HCOOH"	44.998194
"374615"	543.169601	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+HCOOH-H"	44.998201
"356311"	557.185251	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+Hac-H"	59.013851
"1500772"	308.099551	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Hac-H"	59.013851
"965042"	316.065851	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-H+NaCOOH"	66.980151
"115042"	284.055102	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+2Cl"	69.938804
"552779"	408.597952	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+2Cl"	69.938804
"1024859"	159.512252	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2Cl"	69.938804
"1243343"	328.004585	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Br"	78.918885
"1306155"	330.060572	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Cl+HCOOH"	80.974872
"1322559"	352.042529	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Cl+NaCOOH"	102.956829
"911709"	362.071286	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M-H+CF3COOH"	112.985586
"1293242"	398.047964	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Cl+CF3COOH"	148.962264
"1378330"	214.073024	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H-2H2O"	-35.012676
"1394732"	232.083	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H-H2O"	-17.0027
"295513"	499.178676	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+H"	1.007276
"679550"	748.264376	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+H"	1.007276
"1363560"	250.092976	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H"	1.007276
"130981"	250.092976	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+2H"	2.014552
"571635"	374.635826	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+2H"	2.014552
"1043713"	125.550126	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2H"	2.014552
"208335"	167.064409333333	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+3H"	3.021828
"652269"	250.092976	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+3H"	3.021828
"1169300"	84.0358426666667	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+3H"	3.021828
"431480"	516.205223	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+NH4"	18.033823
"792479"	765.290923	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+NH4"	18.033823
"1696711"	267.119523	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+NH4"	18.033823
"343285"	258.6062495	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+H+NH4"	19.041099
"734980"	383.1490995	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+H+NH4"	19.041099
"1487709"	134.0633995	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H+NH4"	19.041099
"403107"	521.160618	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+Na"	22.989218
"766289"	770.246318	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+Na"	22.989218
"1614386"	272.074918	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Na"	22.989218
"322235"	261.083947	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+H+Na"	23.996494
"713564"	385.626797	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+H+Na"	23.996494
"1467383"	136.541097	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H+Na"	23.996494
"1057347"	91.3631566666667	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2H+Na"	25.00377
"1261214"	282.119186	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+CH3OH+H"	33.033486
"384162"	537.134558	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+K"	38.963158
"746250"	786.220258	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+K"	38.963158
"1545022"	288.048858	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+K"	38.963158
"305477"	269.070917	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+H+K"	39.970434
"704467"	393.613767	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+H+K"	39.970434
"1456099"	144.528067	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H+K"	39.970434
"246888"	540.205226	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+ACN+H"	42.033826
"1224947"	291.119526	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+ACN+H"	42.033826
"1209473"	146.063401	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+ACN+2H"	43.041102
"201458"	543.14256	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+2Na-H"	44.97116
"642471"	792.22826	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+2Na-H"	44.97116
"1141979"	294.05686	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2Na-H"	44.97116
"182716"	272.074918	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+2Na"	45.978436
"625555"	396.617768	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+2Na"	45.978436
"1124686"	147.532068	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2Na"	45.978436
"1409304"	98.6904706666667	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H+2Na"	46.985712
"1440327"	296.098446	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H+HCOOH"	47.012746
"233302"	277.10794	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+3H2O+2H"	56.04448
"1520272"	310.15049	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+IsoProp+H"	61.06479
"416680"	280.061888	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+Na+K"	61.952376
"773301"	404.604738	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+Na+K"	61.952376
"1670723"	155.519038	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Na+K"	61.952376
"255055"	562.187168	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+ACN+Na"	64.015768
"1240167"	313.101468	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+ACN+Na"	64.015768
"1725404"	313.124993	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+NH4+HCOOH"	64.039293
"1182009"	106.017784666667	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+3Na"	68.967654
"1657371"	318.080388	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Na+HCOOH"	68.994688
"165326"	575.09044	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+2K-H"	76.91904
"599418"	824.17614	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+2K-H"	76.91904
"1093772"	326.00474	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2K-H"	76.91904
"145121"	288.048858	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"2M+2K"	77.926316
"584680"	412.591708	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"3M+2K"	77.926316
"1079045"	163.506008	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2K"	77.926316
"1114319"	328.019292	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2K+H"	78.933592
"1348638"	328.106907	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+DMSO+H"	79.021207
"1017905"	332.146076	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2ACN+H"	83.060376
"1536392"	333.139708	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+IsoProp+Na+H"	84.054008
"1001746"	166.576676	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+2ACN+2H"	84.067652
"1597341"	334.054328	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+K+HCOOH"	84.968628
"1420814"	364.085838	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+H+CF3COOH"	115.000138
"1160577"	187.089951	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+3ACN+2H"	125.094202
"1710493"	381.112385	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+NH4+CF3COOH"	132.026685
"1648333"	386.06778	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+Na+CF3COOH"	136.98208
"1577422"	402.04172	"C01136"	"S-Acetyldihydrolipoamide;6-S-Acetyldihydrolipoamide"	"C10H19NO2S2"	"249.0857"	"M+K+CF3COOH"	152.95602
"813258"	355.1552	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M"	0
"984604"	336.13681	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-H2O-H"	-19.01839
"75034"	235.762857333333	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M-3H"	-3.021828
"508039"	354.147924	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M-3H"	-3.021828
"894589"	117.377790666667	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-3H"	-3.021828
"14256"	354.147924	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M-2H"	-2.014552
"453818"	531.725524	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M-2H"	-2.014552
"830165"	176.570324	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-2H"	-2.014552
"82868"	709.303124	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M-H"	-1.007276
"521334"	1064.458324	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M-H"	-1.007276
"897070"	354.147924	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-H"	-1.007276
"48040"	726.329671	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M-2H+NH4"	16.019271
"488939"	1081.484871	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M-2H+NH4"	16.019271
"868685"	371.174471	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-2H+NH4"	16.019271
"33550"	731.285066	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M-2H+Na"	20.974666
"475056"	1086.440266	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M-2H+Na"	20.974666
"856139"	376.129866	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-2H+Na"	20.974666
"1631507"	376.129866	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Na-2H"	20.974666
"106215"	372.136263	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M-H+Cl"	33.962126
"543950"	549.713863	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M-H+Cl"	33.962126
"939291"	194.558663	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-H+Cl"	33.962126
"276755"	745.279802	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+Cl"	34.969402
"669542"	1100.435002	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+Cl"	34.969402
"1281945"	390.124602	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Cl"	34.969402
"24502"	747.259006	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M-2H+K"	36.948606
"469163"	1102.414206	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M-2H+K"	36.948606
"842958"	392.103806	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-2H+K"	36.948606
"1567175"	392.103806	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+K-2H"	36.948606
"957731"	400.153394	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-H+HCOOH"	44.998194
"376350"	755.308601	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+HCOOH-H"	44.998201
"360802"	769.324251	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+Hac-H"	59.013851
"1500882"	414.169051	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Hac-H"	59.013851
"962964"	422.135351	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-H+NaCOOH"	66.980151
"112237"	390.124602	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+2Cl"	69.938804
"551795"	567.702202	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+2Cl"	69.938804
"1024605"	212.547002	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2Cl"	69.938804
"1246005"	434.074085	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Br"	78.918885
"1306265"	436.130072	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Cl+HCOOH"	80.974872
"1322669"	458.112029	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Cl+NaCOOH"	102.956829
"912749"	468.140786	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M-H+CF3COOH"	112.985586
"1289341"	504.117464	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Cl+CF3COOH"	148.962264
"1372973"	320.142524	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H-2H2O"	-35.012676
"1388648"	338.1525	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H-H2O"	-17.0027
"289427"	711.317676	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+H"	1.007276
"688774"	1066.472876	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+H"	1.007276
"1363670"	356.162476	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H"	1.007276
"133278"	356.162476	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+2H"	2.014552
"568466"	533.740076	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+2H"	2.014552
"1048927"	178.584876	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2H"	2.014552
"208445"	237.777409333333	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+3H"	3.021828
"657119"	356.162476	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+3H"	3.021828
"1169411"	119.392342666667	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+3H"	3.021828
"433777"	728.344223	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+NH4"	18.033823
"792589"	1083.499423	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+NH4"	18.033823
"1694394"	373.189023	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+NH4"	18.033823
"343400"	364.6757495	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+H+NH4"	19.041099
"735091"	542.2533495	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+H+NH4"	19.041099
"1485633"	187.0981495	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H+NH4"	19.041099
"401030"	733.299618	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+Na"	22.989218
"764214"	1088.454818	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+Na"	22.989218
"1614497"	378.144418	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Na"	22.989218
"325627"	367.153447	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+H+Na"	23.996494
"715862"	544.731047	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+H+Na"	23.996494
"1472962"	189.575847	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H+Na"	23.996494
"1060740"	126.719656666667	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2H+Na"	25.00377
"1266791"	388.188686	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+CH3OH+H"	33.033486
"386461"	749.273558	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+K"	38.963158
"750735"	1104.428758	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+K"	38.963158
"1552787"	394.118358	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+K"	38.963158
"307775"	375.140417	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+H+K"	39.970434
"703483"	552.718017	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+H+K"	39.970434
"1459490"	197.562817	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H+K"	39.970434
"250523"	752.344226	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+ACN+H"	42.033826
"1225385"	397.189026	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+ACN+H"	42.033826
"1209261"	199.098151	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+ACN+2H"	43.041102
"202299"	755.28156	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+2Na-H"	44.97116
"643311"	1110.43676	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+2Na-H"	44.97116
"1143182"	400.12636	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2Na-H"	44.97116
"184649"	378.144418	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+2Na"	45.978436
"628100"	555.722018	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+2Na"	45.978436
"1129171"	200.566818	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2Na"	45.978436
"1413302"	134.046970666667	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H+2Na"	46.985712
"1443715"	402.167946	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H+HCOOH"	47.012746
"233407"	383.17744	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+3H2O+2H"	56.04448
"1522934"	416.21999	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+IsoProp+H"	61.06479
"421163"	386.131388	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+Na+K"	61.952376
"783250"	563.708988	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+Na+K"	61.952376
"1674114"	208.553788	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Na+K"	61.952376
"259538"	774.326168	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+ACN+Na"	64.015768
"1239184"	419.170968	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+ACN+Na"	64.015768
"1725514"	419.194493	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+NH4+HCOOH"	64.039293
"1182120"	141.374284666667	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+3Na"	68.967654
"1652376"	424.149888	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Na+HCOOH"	68.994688
"165436"	787.22944	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+2K-H"	76.91904
"600621"	1142.38464	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+2K-H"	76.91904
"1088414"	432.07424	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2K-H"	76.91904
"150699"	394.118358	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"2M+2K"	77.926316
"584790"	571.695958	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"3M+2K"	77.926316
"1078061"	216.540758	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2K"	77.926316
"1112363"	434.088792	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2K+H"	78.933592
"1349478"	434.176407	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+DMSO+H"	79.021207
"1015098"	438.215576	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2ACN+H"	83.060376
"1533221"	439.209208	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+IsoProp+Na+H"	84.054008
"998575"	219.611426	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+2ACN+2H"	84.067652
"1597451"	440.123828	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+K+HCOOH"	84.968628
"1417644"	470.155338	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+H+CF3COOH"	115.000138
"1154494"	240.124701	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+3ACN+2H"	125.094202
"1708417"	487.181885	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+NH4+CF3COOH"	132.026685
"1642973"	492.13728	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+Na+CF3COOH"	136.98208
"1577532"	508.11122	"C01137"	"S-Adenosylmethioninamine;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium;(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation;S-Adenosyl-(5)-3-methylthiopropylamine;S-Adenosyl 3-(methylthio)propylamine;Decarboxy-AdoMet"	"C14H23N6O3S"	"355.1552"	"M+K+CF3COOH"	152.95602
"815189"	661.232	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M"	0
"984714"	642.21361	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-H2O-H"	-19.01839
"77575"	439.814057333333	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M-3H"	-3.021828
"516898"	660.224724	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M-3H"	-3.021828
"895189"	219.403390666667	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-3H"	-3.021828
"13280"	660.224724	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H"	-2.014552
"454295"	990.840724	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H"	-2.014552
"830641"	329.608724	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H"	-2.014552
"82978"	1321.456724	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M-H"	-1.007276
"526911"	1982.688724	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M-H"	-1.007276
"903620"	660.224724	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-H"	-1.007276
"57994"	1338.483271	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H+NH4"	16.019271
"492088"	1999.715271	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H+NH4"	16.019271
"877179"	677.251271	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H+NH4"	16.019271
"35606"	1343.438666	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H+Na"	20.974666
"475166"	2004.670666	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H+Na"	20.974666
"860623"	682.206666	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H+Na"	20.974666
"1633441"	682.206666	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na-2H"	20.974666
"109243"	678.213063	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M-H+Cl"	33.962126
"546978"	1008.829063	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M-H+Cl"	33.962126
"940494"	347.597063	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+Cl"	33.962126
"280146"	1357.433402	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Cl"	34.969402
"670746"	2018.665402	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+Cl"	34.969402
"1284972"	696.201402	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl"	34.969402
"25706"	1359.412606	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H+K"	36.948606
"468545"	2020.644606	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H+K"	36.948606
"845256"	698.180606	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H+K"	36.948606
"1567285"	698.180606	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+K-2H"	36.948606
"954803"	706.230194	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+HCOOH"	44.998194
"375934"	1367.462201	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+HCOOH-H"	44.998201
"359817"	1381.477851	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Hac-H"	59.013851
"1500992"	720.245851	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Hac-H"	59.013851
"966355"	728.212151	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+NaCOOH"	66.980151
"111985"	696.201402	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2Cl"	69.938804
"552635"	1026.817402	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2Cl"	69.938804
"1024719"	365.585402	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2Cl"	69.938804
"1246482"	740.150885	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Br"	78.918885
"1308931"	742.206872	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl+HCOOH"	80.974872
"1325696"	764.188829	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl+NaCOOH"	102.956829
"915299"	774.217586	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+CF3COOH"	112.985586
"1293101"	810.194264	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl+CF3COOH"	148.962264
"1375637"	626.219324	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H-2H2O"	-35.012676
"1392039"	644.2293	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H-H2O"	-17.0027
"295734"	1323.471276	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H"	1.007276
"689249"	1984.703276	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H"	1.007276
"1364510"	662.239276	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H"	1.007276
"136670"	662.239276	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2H"	2.014552
"581097"	992.855276	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2H"	2.014552
"1049404"	331.623276	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2H"	2.014552
"215116"	441.828609333333	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+3H"	3.021828
"659421"	662.239276	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+3H"	3.021828
"1172807"	221.417942666667	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+3H"	3.021828
"430611"	1340.497823	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+NH4"	18.033823
"792699"	2001.729823	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+NH4"	18.033823
"1694866"	679.265823	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+NH4"	18.033823
"341683"	670.7525495	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H+NH4"	19.041099
"736294"	1001.3685495	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H+NH4"	19.041099
"1489024"	340.1365495	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+NH4"	19.041099
"404423"	1345.453218	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Na"	22.989218
"764325"	2006.685218	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+Na"	22.989218
"1615704"	684.221218	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na"	22.989218
"326834"	673.230247	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H+Na"	23.996494
"721441"	1003.846247	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H+Na"	23.996494
"1475989"	342.614247	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+Na"	23.996494
"1063038"	228.745256666667	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2H+Na"	25.00377
"1270181"	694.265486	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+CH3OH+H"	33.033486
"388754"	1361.427158	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+K"	38.963158
"749752"	2022.659158	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+K"	38.963158
"1553870"	700.195158	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+K"	38.963158
"310071"	681.217217	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H+K"	39.970434
"706975"	1011.833217	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H+K"	39.970434
"1457413"	350.601217	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+K"	39.970434
"249294"	1364.497826	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+ACN+H"	42.033826
"1223096"	703.265826	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+ACN+H"	42.033826
"1205520"	352.136551	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+ACN+2H"	43.041102
"201317"	1367.43516	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2Na-H"	44.97116
"642328"	2028.66716	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2Na-H"	44.97116
"1146972"	706.20316	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2Na-H"	44.97116
"187926"	684.221218	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2Na"	45.978436
"628298"	1014.837218	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2Na"	45.978436
"1130741"	353.605218	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2Na"	45.978436
"1413780"	236.072570666667	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+2Na"	46.985712
"1443461"	708.244746	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+HCOOH"	47.012746
"233883"	689.25424	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+3H2O+2H"	56.04448
"1523410"	722.29679	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+IsoProp+H"	61.06479
"423457"	692.208188	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Na+K"	61.952376
"783360"	1022.824188	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+Na+K"	61.952376
"1676411"	361.592188	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na+K"	61.952376
"257465"	1386.479768	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+ACN+Na"	64.015768
"1237833"	725.247768	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+ACN+Na"	64.015768
"1725624"	725.271293	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+NH4+HCOOH"	64.039293
"1182230"	243.399884666667	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+3Na"	68.967654
"1652122"	730.226688	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na+HCOOH"	68.994688
"165546"	1399.38304	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2K-H"	76.91904
"599638"	2060.61504	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2K-H"	76.91904
"1087431"	738.15104	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2K-H"	76.91904
"152996"	700.195158	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2K"	77.926316
"583806"	1030.811158	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2K"	77.926316
"1084011"	369.579158	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2K"	77.926316
"1113816"	740.165592	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2K+H"	78.933592
"1349593"	740.253207	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+DMSO+H"	79.021207
"1014115"	744.292376	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2ACN+H"	83.060376
"1533333"	745.286008	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+IsoProp+Na+H"	84.054008
"1000875"	372.649826	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+2ACN+2H"	84.067652
"1598656"	746.200628	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+K+HCOOH"	84.968628
"1421034"	776.232138	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+CF3COOH"	115.000138
"1152416"	393.163101	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+3ACN+2H"	125.094202
"1705247"	793.258685	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+NH4+CF3COOH"	132.026685
"1643083"	798.21408	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na+CF3COOH"	136.98208
"1577642"	814.18802	"C01138"	"Streptomycin 6-phosphate"	"C21H40N7O15P"	"661.232"	"M+K+CF3COOH"	152.95602
"816517"	146.1055	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M"	0
"984830"	127.08711	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-H2O-H"	-19.01839
"73071"	96.3963906666667	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M-3H"	-3.021828
"516884"	145.098224	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M-3H"	-3.021828
"895297"	47.6945573333333	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-3H"	-3.021828
"14117"	145.098224	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H"	-2.014552
"449667"	218.150974	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H"	-2.014552
"822001"	72.045474	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-2H"	-2.014552
"85273"	291.203724	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M-H"	-1.007276
"524835"	437.309224	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M-H"	-1.007276
"903731"	145.098224	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-H"	-1.007276
"53731"	308.230271	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H+NH4"	16.019271
"487826"	454.335771	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H+NH4"	16.019271
"866721"	162.124771	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-2H+NH4"	16.019271
"38995"	313.185666	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H+Na"	20.974666
"478555"	459.291166	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H+Na"	20.974666
"859638"	167.080166	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-2H+Na"	20.974666
"1623705"	167.080166	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Na-2H"	20.974666
"104608"	163.086563	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M-H+Cl"	33.962126
"545995"	236.139313	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M-H+Cl"	33.962126
"937322"	90.033813	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-H+Cl"	33.962126
"278431"	327.180402	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+Cl"	34.969402
"669760"	473.285902	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+Cl"	34.969402
"1282528"	181.074902	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl"	34.969402
"25812"	329.159606	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H+K"	36.948606
"467561"	475.265106	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H+K"	36.948606
"844997"	183.054106	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-2H+K"	36.948606
"1568487"	183.054106	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+K-2H"	36.948606
"956005"	191.103694	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-H+HCOOH"	44.998194
"370575"	337.209201	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+HCOOH-H"	44.998201
"356646"	351.224851	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+Hac-H"	59.013851
"1505484"	205.119351	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Hac-H"	59.013851
"965373"	213.085651	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-H+NaCOOH"	66.980151
"117561"	181.074902	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+2Cl"	69.938804
"557118"	254.127652	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+2Cl"	69.938804
"1025187"	108.022152	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2Cl"	69.938804
"1249871"	225.024385	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Br"	78.918885
"1308673"	227.080372	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl+HCOOH"	80.974872
"1330908"	249.062329	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl+NaCOOH"	102.956829
"919781"	259.091086	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M-H+CF3COOH"	112.985586
"1300503"	295.067764	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl+CF3COOH"	148.962264
"1380122"	111.092824	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H-2H2O"	-35.012676
"1393247"	129.1028	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H-H2O"	-17.0027
"298164"	293.218276	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+H"	1.007276
"690825"	439.323776	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+H"	1.007276
"1365351"	147.112776	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H"	1.007276
"138967"	147.112776	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+2H"	2.014552
"575245"	220.165526	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+2H"	2.014552
"1049148"	74.060026	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2H"	2.014552
"210852"	98.4109426666667	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+3H"	3.021828
"655885"	147.112776	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+3H"	3.021828
"1172917"	49.7091093333333	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+3H"	3.021828
"439109"	310.244823	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+NH4"	18.033823
"801078"	456.350323	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+NH4"	18.033823
"1694610"	164.139323	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+NH4"	18.033823
"342889"	155.6260495	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+H+NH4"	19.041099
"735311"	228.6787995	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+H+NH4"	19.041099
"1492172"	82.5732995	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H+NH4"	19.041099
"407083"	315.200218	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+Na"	22.989218
"769800"	461.305718	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+Na"	22.989218
"1618303"	169.094718	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Na"	22.989218
"329006"	158.103747	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+H+Na"	23.996494
"721305"	231.156497	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+H+Na"	23.996494
"1475735"	85.050997	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H+Na"	23.996494
"1067157"	57.0364233333333	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2H+Na"	25.00377
"1269200"	179.138986	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+CH3OH+H"	33.033486
"391421"	331.174158	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+K"	38.963158
"753511"	477.279658	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+K"	38.963158
"1553014"	185.068658	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+K"	38.963158
"311284"	166.090717	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+H+K"	39.970434
"706622"	239.143467	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+H+K"	39.970434
"1460322"	93.037967	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H+K"	39.970434
"249410"	334.244826	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+ACN+H"	42.033826
"1224315"	188.139326	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+ACN+H"	42.033826
"1209535"	94.573301	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+ACN+2H"	43.041102
"201796"	337.18216	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+2Na-H"	44.97116
"642084"	483.28766	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+2Na-H"	44.97116
"1146079"	191.07666	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2Na-H"	44.97116
"187792"	169.094718	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+2Na"	45.978436
"628083"	242.147468	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+2Na"	45.978436
"1130614"	96.041968	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2Na"	45.978436
"1414018"	64.3637373333333	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H+2Na"	46.985712
"1438476"	193.118246	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H+HCOOH"	47.012746
"232545"	174.12774	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+3H2O+2H"	56.04448
"1521337"	207.17029	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+IsoProp+H"	61.06479
"420294"	177.081688	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+Na+K"	61.952376
"784940"	250.134438	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+Na+K"	61.952376
"1680180"	104.028938	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Na+K"	61.952376
"267092"	356.226768	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+ACN+Na"	64.015768
"1240500"	210.121268	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+ACN+Na"	64.015768
"1728410"	210.144793	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+NH4+HCOOH"	64.039293
"1193891"	71.6910513333333	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+3Na"	68.967654
"1663900"	215.100188	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Na+HCOOH"	68.994688
"172183"	369.13004	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+2K-H"	76.91904
"612676"	515.23554	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+2K-H"	76.91904
"1099865"	223.02454	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2K-H"	76.91904
"155671"	185.068658	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"2M+2K"	77.926316
"592681"	258.121408	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"3M+2K"	77.926316
"1079382"	112.015908	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2K"	77.926316
"1104934"	225.039092	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2K+H"	78.933592
"1345695"	225.126707	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+DMSO+H"	79.021207
"1016412"	229.165876	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2ACN+H"	83.060376
"1533442"	230.159508	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+IsoProp+Na+H"	84.054008
"1000983"	115.086576	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+2ACN+2H"	84.067652
"1596582"	231.074128	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+K+HCOOH"	84.968628
"1422239"	261.105638	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+H+CF3COOH"	115.000138
"1155808"	135.599851	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+3ACN+2H"	125.094202
"1707545"	278.132185	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+NH4+CF3COOH"	132.026685
"1637729"	283.08758	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+Na+CF3COOH"	136.98208
"1572649"	299.06152	"C01142"	"(3S)-36-Diaminohexanoate;L-beta-Lysine"	"C6H14N2O2"	"146.1055"	"M+K+CF3COOH"	152.95602
"815776"	308.0062	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M"	0
"986034"	288.98781	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H2O-H"	-19.01839
"75369"	204.330190666667	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-3H"	-3.021828
"513835"	306.998924	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-3H"	-3.021828
"891638"	101.661457333333	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-3H"	-3.021828
"11309"	306.998924	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H"	-2.014552
"449777"	461.002024	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H"	-2.014552
"819925"	152.995824	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H"	-2.014552
"84290"	615.005124	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-H"	-1.007276
"524947"	923.011324	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-H"	-1.007276
"901655"	306.998924	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H"	-1.007276
"48375"	632.031671	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H+NH4"	16.019271
"493404"	940.037871	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H+NH4"	16.019271
"872300"	324.025471	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H+NH4"	16.019271
"38012"	636.987066	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H+Na"	20.974666
"478666"	944.993266	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H+Na"	20.974666
"858655"	328.980866	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H+Na"	20.974666
"1627095"	328.980866	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na-2H"	20.974666
"103625"	324.987263	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-H+Cl"	33.962126
"546833"	478.990363	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-H+Cl"	33.962126
"938160"	170.984163	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+Cl"	33.962126
"277082"	650.981802	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Cl"	34.969402
"670596"	958.988002	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+Cl"	34.969402
"1283001"	342.975602	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl"	34.969402
"24826"	652.961006	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H+K"	36.948606
"468760"	960.967206	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H+K"	36.948606
"842191"	344.954806	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H+K"	36.948606
"1565680"	344.954806	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K-2H"	36.948606
"954291"	353.004394	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+HCOOH"	44.998194
"369593"	661.010601	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+HCOOH-H"	44.998201
"354571"	675.026251	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Hac-H"	59.013851
"1502314"	367.020051	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Hac-H"	59.013851
"967669"	374.986351	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+NaCOOH"	66.980151
"118764"	342.975602	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2Cl"	69.938804
"558322"	496.978702	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2Cl"	69.938804
"1024205"	188.972502	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2Cl"	69.938804
"1245606"	386.925085	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Br"	78.918885
"1307324"	388.981072	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl+HCOOH"	80.974872
"1329925"	410.963029	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl+NaCOOH"	102.956829
"917705"	420.991786	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+CF3COOH"	112.985586
"1296602"	456.968464	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl+CF3COOH"	148.962264
"1378044"	272.993524	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H-2H2O"	-35.012676
"1396639"	291.0035	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H-H2O"	-17.0027
"297301"	617.019676	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H"	1.007276
"689113"	925.025876	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H"	1.007276
"1362909"	309.013476	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H"	1.007276
"137984"	309.013476	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2H"	2.014552
"574262"	463.016576	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2H"	2.014552
"1049623"	155.010376	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2H"	2.014552
"209869"	206.344742666667	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+3H"	3.021828
"655995"	309.013476	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+3H"	3.021828
"1174120"	103.676009333333	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+3H"	3.021828
"438854"	634.046223	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+NH4"	18.033823
"799482"	942.052423	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+NH4"	18.033823
"1695088"	326.040023	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+NH4"	18.033823
"339718"	317.5267495	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H+NH4"	19.041099
"734327"	471.5298495	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H+NH4"	19.041099
"1484867"	163.5236495	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+NH4"	19.041099
"407435"	639.001618	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Na"	22.989218
"768552"	947.007818	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+Na"	22.989218
"1617014"	330.995418	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na"	22.989218
"327902"	320.004447	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H+Na"	23.996494
"717284"	474.007547	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H+Na"	23.996494
"1473292"	166.001347	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+Na"	23.996494
"1061070"	111.003323333333	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2H+Na"	25.00377
"1266030"	341.039686	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+CH3OH+H"	33.033486
"388979"	654.975558	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+K"	38.963158
"749975"	962.981758	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+K"	38.963158
"1554341"	346.969358	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K"	38.963158
"311394"	327.991417	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H+K"	39.970434
"703816"	481.994517	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H+K"	39.970434
"1459460"	173.988317	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+K"	39.970434
"249520"	658.046226	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+ACN+H"	42.033826
"1223693"	350.040026	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+ACN+H"	42.033826
"1208190"	175.523651	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+ACN+2H"	43.041102
"200446"	660.98356	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2Na-H"	44.97116
"641830"	968.98976	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2Na-H"	44.97116
"1145700"	352.97736	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2Na-H"	44.97116
"187416"	330.995418	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2Na"	45.978436
"627219"	484.998518	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2Na"	45.978436
"1130724"	176.992318	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2Na"	45.978436
"1413395"	118.330637333333	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+2Na"	46.985712
"1439315"	355.018946	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+HCOOH"	47.012746
"232655"	336.02844	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+3H2O+2H"	56.04448
"1522539"	369.07099	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+IsoProp+H"	61.06479
"419311"	338.982388	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Na+K"	61.952376
"783956"	492.985488	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+Na+K"	61.952376
"1679925"	184.979288	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na+K"	61.952376
"265714"	680.028168	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+ACN+Na"	64.015768
"1240975"	372.021968	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+ACN+Na"	64.015768
"1726944"	372.045493	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+NH4+HCOOH"	64.039293
"1194042"	125.657951333333	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+3Na"	68.967654
"1662188"	377.000888	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na+HCOOH"	68.994688
"171483"	692.93144	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2K-H"	76.91904
"610798"	1000.93764	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2K-H"	76.91904
"1099649"	384.92524	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2K-H"	76.91904
"153960"	346.969358	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2K"	77.926316
"591699"	500.972458	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2K"	77.926316
"1079128"	192.966258	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2K"	77.926316
"1105046"	386.939792	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2K+H"	78.933592
"1340336"	387.027407	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+DMSO+H"	79.021207
"1009961"	391.066576	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2ACN+H"	83.060376
"1536471"	392.060208	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+IsoProp+Na+H"	84.054008
"1001094"	196.036926	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2ACN+2H"	84.067652
"1596692"	392.974828	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K+HCOOH"	84.968628
"1425630"	423.006338	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+CF3COOH"	115.000138
"1157012"	216.550201	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+3ACN+2H"	125.094202
"1705468"	440.032885	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+NH4+CF3COOH"	132.026685
"1640026"	444.98828	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na+CF3COOH"	136.98208
"1572030"	460.96222	"C01143"	"(R)-5-Diphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K+CF3COOH"	152.95602
"815886"	853.152	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M"	0
"989301"	834.13361	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H2O-H"	-19.01839
"76570"	567.760724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-3H"	-3.021828
"515039"	852.144724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-3H"	-3.021828
"895236"	283.376724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-3H"	-3.021828
"13608"	852.144724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H"	-2.014552
"453532"	1278.720724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H"	-2.014552
"822221"	425.568724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H"	-2.014552
"88773"	1705.296724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H"	-1.007276
"525057"	2558.448724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H"	-1.007276
"900672"	852.144724	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H"	-1.007276
"53952"	1722.323271	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+NH4"	16.019271
"494608"	2575.475271	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+NH4"	16.019271
"874597"	869.171271	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+NH4"	16.019271
"40309"	1727.278666	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+Na"	20.974666
"479870"	2580.430666	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+Na"	20.974666
"860953"	874.126666	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+Na"	20.974666
"1630121"	874.126666	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na-2H"	20.974666
"105194"	870.133063	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H+Cl"	33.962126
"546944"	1296.709063	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H+Cl"	33.962126
"938272"	443.557063	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+Cl"	33.962126
"280109"	1741.273402	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Cl"	34.969402
"670707"	2594.425402	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Cl"	34.969402
"1284568"	888.121402	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl"	34.969402
"24937"	1743.252606	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+K"	36.948606
"468870"	2596.404606	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+K"	36.948606
"844488"	890.100606	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+K"	36.948606
"1565791"	890.100606	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K-2H"	36.948606
"952578"	898.150194	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+HCOOH"	44.998194
"371891"	1751.302201	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+HCOOH-H"	44.998201
"357963"	1765.317851	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Hac-H"	59.013851
"1507043"	912.165851	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Hac-H"	59.013851
"968873"	920.132151	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+NaCOOH"	66.980151
"118875"	888.121402	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Cl"	69.938804
"556246"	1314.697402	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Cl"	69.938804
"1025409"	461.545402	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Cl"	69.938804
"1245351"	932.070885	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Br"	78.918885
"1310351"	934.126872	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+HCOOH"	80.974872
"1328942"	956.108829	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+NaCOOH"	102.956829
"917813"	966.137586	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+CF3COOH"	112.985586
"1297806"	1002.114264	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+CF3COOH"	148.962264
"1378154"	818.139324	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-2H2O"	-35.012676
"1396505"	836.1493	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-H2O"	-17.0027
"297654"	1707.311276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H"	1.007276
"689951"	2560.463276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H"	1.007276
"1365206"	854.159276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H"	1.007276
"137001"	854.159276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2H"	2.014552
"579839"	1280.735276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2H"	2.014552
"1049734"	427.583276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H"	2.014552
"214353"	569.775276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H"	3.021828
"653917"	854.159276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+3H"	3.021828
"1173137"	285.391276	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3H"	3.021828
"439370"	1724.337823	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+NH4"	18.033823
"797405"	2577.489823	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+NH4"	18.033823
"1696050"	871.185823	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4"	18.033823
"339827"	862.6725495	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+NH4"	19.041099
"733343"	1289.2485495	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+NH4"	19.041099
"1487163"	436.0965495	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+NH4"	19.041099
"403657"	1729.293218	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na"	22.989218
"766839"	2582.445218	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na"	22.989218
"1616031"	876.141218	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na"	22.989218
"328255"	865.150247	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+Na"	23.996494
"721769"	1291.726247	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+Na"	23.996494
"1472310"	438.574247	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+Na"	23.996494
"1066649"	292.71859	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H+Na"	25.00377
"1267233"	886.185486	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+CH3OH+H"	33.033486
"390183"	1745.267158	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+K"	38.963158
"752273"	2598.419158	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+K"	38.963158
"1553235"	892.115158	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K"	38.963158
"310411"	873.137217	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+K"	39.970434
"701740"	1299.713217	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+K"	39.970434
"1455560"	446.561217	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+K"	39.970434
"246349"	1748.337826	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+H"	42.033826
"1223433"	895.185826	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+H"	42.033826
"1207562"	448.096551	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+2H"	43.041102
"201284"	1751.27516	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na-H"	44.97116
"643033"	2604.42716	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na-H"	44.97116
"1146419"	898.12316	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na-H"	44.97116
"187277"	876.141218	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na"	45.978436
"627811"	1302.717218	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na"	45.978436
"1130840"	449.565218	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na"	45.978436
"1413384"	300.045904	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+2Na"	46.985712
"1444892"	900.164746	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+HCOOH"	47.012746
"235567"	881.17424	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H2O+2H"	56.04448
"1523746"	914.21679	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+H"	61.06479
"419421"	884.128188	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na+K"	61.952376
"785401"	1310.704188	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na+K"	61.952376
"1680639"	457.552188	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+K"	61.952376
"266553"	1770.319768	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+Na"	64.015768
"1240721"	917.167768	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+Na"	64.015768
"1727663"	917.191293	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+HCOOH"	64.039293
"1192406"	307.373218	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3Na"	68.967654
"1663391"	922.146688	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+HCOOH"	68.994688
"172081"	1783.22304	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K-H"	76.91904
"612125"	2636.37504	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K-H"	76.91904
"1099595"	930.07104	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K-H"	76.91904
"152980"	892.115158	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K"	77.926316
"590353"	1318.691158	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K"	77.926316
"1075593"	465.539158	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K"	77.926316
"1100778"	932.085592	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K+H"	78.933592
"1336677"	932.173207	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+DMSO+H"	79.021207
"1007274"	936.212376	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+H"	83.060376
"1532207"	937.206008	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+Na+H"	84.054008
"1000477"	468.609826	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+2H"	84.067652
"1598261"	938.120628	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+HCOOH"	84.968628
"1424649"	968.152138	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+CF3COOH"	115.000138
"1157123"	489.123101	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3ACN+2H"	125.094202
"1711047"	985.178685	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+CF3COOH"	132.026685
"1637949"	990.13408	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+CF3COOH"	136.98208
"1572506"	1006.10802	"C01144"	"(S)-3-Hydroxybutanoyl-CoA;(S)-3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+CF3COOH"	152.95602
"812716"	104.011	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M"	0
"985158"	84.99261	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-H2O-H"	-19.01839
"74493"	68.3333906666667	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M-3H"	-3.021828
"515148"	103.003724	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M-3H"	-3.021828
"894045"	33.6630573333333	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-3H"	-3.021828
"14448"	103.003724	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M-2H"	-2.014552
"454373"	155.009224	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M-2H"	-2.014552
"829985"	50.998224	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-2H"	-2.014552
"91070"	207.014724	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M-H"	-1.007276
"528445"	311.025724	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M-H"	-1.007276
"901876"	103.003724	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-H"	-1.007276
"54063"	224.041271	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M-2H+NH4"	16.019271
"493625"	328.052271	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M-2H+NH4"	16.019271
"874707"	120.030271	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-2H+NH4"	16.019271
"41513"	228.996666	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M-2H+Na"	20.974666
"482167"	333.007666	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M-2H+Na"	20.974666
"861063"	124.985666	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-2H+Na"	20.974666
"1626221"	124.985666	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Na-2H"	20.974666
"107127"	120.992063	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M-H+Cl"	33.962126
"548147"	172.997563	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M-H+Cl"	33.962126
"941663"	68.986563	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-H+Cl"	33.962126
"279854"	242.991402	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+Cl"	34.969402
"671181"	347.002402	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+Cl"	34.969402
"1284677"	138.980402	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Cl"	34.969402
"26868"	244.970606	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M-2H+K"	36.948606
"465698"	348.981606	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M-2H+K"	36.948606
"842407"	140.959606	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-2H+K"	36.948606
"1561158"	140.959606	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+K-2H"	36.948606
"954874"	149.009194	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-H+HCOOH"	44.998194
"373820"	253.020201	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+HCOOH-H"	44.998201
"358073"	267.035851	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+Hac-H"	59.013851
"1507759"	163.024851	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Hac-H"	59.013851
"971171"	170.991151	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-H+NaCOOH"	66.980151
"122265"	138.980402	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+2Cl"	69.938804
"557449"	190.985902	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+2Cl"	69.938804
"1026250"	86.974902	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2Cl"	69.938804
"1246191"	182.929885	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Br"	78.918885
"1314835"	184.985872	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Cl+HCOOH"	80.974872
"1327959"	206.967829	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Cl+NaCOOH"	102.956829
"916830"	216.996586	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M-H+CF3COOH"	112.985586
"1297916"	252.973264	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Cl+CF3COOH"	148.962264
"1380452"	68.998324	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H-2H2O"	-35.012676
"1396857"	87.0083	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H-H2O"	-17.0027
"296919"	209.029276	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+H"	1.007276
"690061"	313.040276	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+H"	1.007276
"1364223"	105.018276	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H"	1.007276
"140393"	105.018276	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+2H"	2.014552
"577766"	157.023776	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+2H"	2.014552
"1049845"	53.012776	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2H"	2.014552
"216649"	70.3479426666667	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+3H"	3.021828
"656215"	105.018276	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+3H"	3.021828
"1174341"	35.6776093333333	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+3H"	3.021828
"434333"	226.055823	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+NH4"	18.033823
"797881"	330.066823	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+NH4"	18.033823
"1694215"	122.044823	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+NH4"	18.033823
"343222"	113.5315495	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+H+NH4"	19.041099
"736007"	165.5370495	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+H+NH4"	19.041099
"1488368"	61.5260495	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H+NH4"	19.041099
"405955"	231.011218	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+Na"	22.989218
"769910"	335.022218	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+Na"	22.989218
"1616140"	127.000218	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Na"	22.989218
"329460"	116.009247	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+H+Na"	23.996494
"720786"	168.014747	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+H+Na"	23.996494
"1472420"	64.003747	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H+Na"	23.996494
"1065665"	43.0049233333333	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2H+Na"	25.00377
"1269531"	137.044486	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+CH3OH+H"	33.033486
"389200"	246.985158	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+K"	38.963158
"752381"	350.996158	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+K"	38.963158
"1553347"	142.974158	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+K"	38.963158
"311614"	123.996217	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+H+K"	39.970434
"704767"	176.001717	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+H+K"	39.970434
"1457856"	71.990717	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H+K"	39.970434
"247188"	250.055826	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+ACN+H"	42.033826
"1222451"	146.044826	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+ACN+H"	42.033826
"1208157"	73.526051	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+ACN+2H"	43.041102
"201030"	252.99316	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+2Na-H"	44.97116
"643752"	357.00416	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+2Na-H"	44.97116
"1146694"	148.98216	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2Na-H"	44.97116
"186292"	127.000218	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+2Na"	45.978436
"627679"	179.005718	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+2Na"	45.978436
"1129361"	74.994718	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2Na"	45.978436
"1412519"	50.3322373333333	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H+2Na"	46.985712
"1445532"	151.023746	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H+HCOOH"	47.012746
"235270"	132.03324	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+3H2O+2H"	56.04448
"1524096"	165.07579	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+IsoProp+H"	61.06479
"420625"	134.987188	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+Na+K"	61.952376
"785349"	186.992688	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+Na+K"	61.952376
"1679897"	82.981688	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Na+K"	61.952376
"266947"	272.037768	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+ACN+Na"	64.015768
"1239369"	168.026768	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+ACN+Na"	64.015768
"1727166"	168.050293	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+NH4+HCOOH"	64.039293
"1191420"	57.6595513333333	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+3Na"	68.967654
"1663501"	173.005688	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Na+HCOOH"	68.994688
"171459"	284.94104	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+2K-H"	76.91904
"612482"	388.95204	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+2K-H"	76.91904
"1098688"	180.93004	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2K-H"	76.91904
"152361"	142.974158	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"2M+2K"	77.926316
"589731"	194.979658	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"3M+2K"	77.926316
"1077891"	90.968658	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2K"	77.926316
"1104172"	182.944592	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2K+H"	78.933592
"1340558"	183.032207	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+DMSO+H"	79.021207
"1009087"	187.071376	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2ACN+H"	83.060376
"1536694"	188.065008	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+IsoProp+Na+H"	84.054008
"1001315"	94.039326	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+2ACN+2H"	84.067652
"1599098"	188.979628	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+K+HCOOH"	84.968628
"1424756"	219.011138	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+H+CF3COOH"	115.000138
"1158325"	114.552601	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+3ACN+2H"	125.094202
"1710428"	236.037685	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+NH4+CF3COOH"	132.026685
"1638059"	240.99308	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+Na+CF3COOH"	136.98208
"1572616"	256.96702	"C01146"	"2-Hydroxy-3-oxopropanoate;Tartronate semialdehyde"	"C3H4O4"	"104.011"	"M+K+CF3COOH"	152.95602
"816597"	114.0681	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M"	0
"979800"	95.04971	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-H2O-H"	-19.01839
"73509"	75.038124	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M-3H"	-3.021828
"511977"	113.060824	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M-3H"	-3.021828
"894151"	37.015424	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-3H"	-3.021828
"14918"	113.060824	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M-2H"	-2.014552
"454482"	170.094874	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M-2H"	-2.014552
"829000"	56.026774	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-2H"	-2.014552
"87899"	227.128924	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M-H"	-1.007276
"529647"	341.197024	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M-H"	-1.007276
"908180"	113.060824	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-H"	-1.007276
"61469"	244.155471	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M-2H+NH4"	16.019271
"501636"	358.223571	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M-2H+NH4"	16.019271
"873723"	130.087371	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-2H+NH4"	16.019271
"41624"	249.110866	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M-2H+Na"	20.974666
"482277"	363.178966	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M-2H+Na"	20.974666
"862267"	135.042766	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-2H+Na"	20.974666
"1633668"	135.042766	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Na-2H"	20.974666
"109481"	131.049163	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M-H+Cl"	33.962126
"549523"	188.083213	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M-H+Cl"	33.962126
"942637"	74.015113	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-H+Cl"	33.962126
"282608"	263.105602	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+Cl"	34.969402
"674332"	377.173702	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+Cl"	34.969402
"1286975"	149.037502	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Cl"	34.969402
"29533"	265.084806	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M-2H+K"	36.948606
"465811"	379.152906	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M-2H+K"	36.948606
"842520"	151.016706	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-2H+K"	36.948606
"1567104"	151.016706	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+K-2H"	36.948606
"956814"	159.066294	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-H+HCOOH"	44.998194
"374301"	273.134401	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+HCOOH-H"	44.998201
"356361"	287.150051	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+Hac-H"	59.013851
"1507268"	173.081951	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Hac-H"	59.013851
"965813"	181.048251	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-H+NaCOOH"	66.980151
"117636"	149.037502	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+2Cl"	69.938804
"557559"	206.071552	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+2Cl"	69.938804
"1024172"	92.003452	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2Cl"	69.938804
"1245937"	192.986985	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Br"	78.918885
"1310572"	195.042972	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Cl+HCOOH"	80.974872
"1323693"	217.024929	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Cl+NaCOOH"	102.956829
"914754"	227.053686	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M-H+CF3COOH"	112.985586
"1291462"	263.030364	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Cl+CF3COOH"	148.962264
"1370717"	79.055424	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H-2H2O"	-35.012676
"1395519"	97.0654	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H-H2O"	-17.0027
"295570"	229.143476	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+H"	1.007276
"690907"	343.211576	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+H"	1.007276
"1366528"	115.075376	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H"	1.007276
"140751"	115.075376	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+2H"	2.014552
"579942"	172.109426	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+2H"	2.014552
"1051053"	58.041326	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2H"	2.014552
"218589"	77.052676	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+3H"	3.021828
"658516"	115.075376	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+3H"	3.021828
"1174451"	39.029976	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+3H"	3.021828
"433350"	246.170023	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+NH4"	18.033823
"795438"	360.238123	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+NH4"	18.033823
"1695422"	132.101923	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+NH4"	18.033823
"341143"	123.5886495	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+H+NH4"	19.041099
"736482"	180.6226995	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+H+NH4"	19.041099
"1489209"	66.5545995	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H+NH4"	19.041099
"407770"	251.125418	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+Na"	22.989218
"769878"	365.193518	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+Na"	22.989218
"1617223"	137.057318	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Na"	22.989218
"327382"	126.066347	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+H+Na"	23.996494
"721991"	183.100397	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+H+Na"	23.996494
"1475819"	69.032297	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H+Na"	23.996494
"1067971"	46.35729	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2H+Na"	25.00377
"1272661"	147.101586	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+CH3OH+H"	33.033486
"391502"	267.099358	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+K"	38.963158
"751040"	381.167458	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+K"	38.963158
"1553459"	153.031258	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+K"	38.963158
"311362"	134.053317	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+H+K"	39.970434
"705971"	191.087367	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+H+K"	39.970434
"1457966"	77.019267	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H+K"	39.970434
"247660"	270.170026	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+ACN+H"	42.033826
"1222193"	156.101926	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+ACN+H"	42.033826
"1207178"	78.554601	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+ACN+2H"	43.041102
"204178"	273.10736	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+2Na-H"	44.97116
"642890"	387.17546	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+2Na-H"	44.97116
"1146276"	159.03926	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2Na-H"	44.97116
"186768"	137.057318	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+2Na"	45.978436
"626329"	194.091368	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+2Na"	45.978436
"1128738"	80.023268	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2Na"	45.978436
"1413482"	53.684604	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H+2Na"	46.985712
"1444991"	161.080846	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H+HCOOH"	47.012746
"235173"	142.09034	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+3H2O+2H"	56.04448
"1523971"	175.13289	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+IsoProp+H"	61.06479
"424182"	145.044288	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+Na+K"	61.952376
"785550"	202.078338	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+Na+K"	61.952376
"1680993"	88.010238	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Na+K"	61.952376
"266168"	292.151968	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+ACN+Na"	64.015768
"1241145"	178.083868	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+ACN+Na"	64.015768
"1728093"	178.107393	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+NH4+HCOOH"	64.039293
"1193654"	61.011918	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+3Na"	68.967654
"1664719"	183.062788	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Na+HCOOH"	68.994688
"172306"	305.05524	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+2K-H"	76.91904
"612552"	419.12334	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+2K-H"	76.91904
"1096747"	190.98714	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2K-H"	76.91904
"151374"	153.031258	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"2M+2K"	77.926316
"592028"	210.065308	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"3M+2K"	77.926316
"1073260"	95.997208	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2K"	77.926316
"1101485"	193.001692	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2K+H"	78.933592
"1342855"	193.089307	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+DMSO+H"	79.021207
"1013573"	197.128476	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2ACN+H"	83.060376
"1533885"	198.122108	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+IsoProp+Na+H"	84.054008
"1002520"	99.067876	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+2ACN+2H"	84.067652
"1595929"	199.036728	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+K+HCOOH"	84.968628
"1423774"	229.068238	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+H+CF3COOH"	115.000138
"1161351"	119.581151	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+3ACN+2H"	125.094202
"1704707"	246.094785	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+NH4+CF3COOH"	132.026685
"1642544"	251.05018	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+Na+CF3COOH"	136.98208
"1579288"	267.02412	"C01147"	"2-Hydroxycyclohexan-1-one;2-Hydroxycyclohexanone;Adipoin"	"C6H10O2"	"114.0681"	"M+K+CF3COOH"	152.95602
"815124"	130.1232	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M"	0
"987200"	111.10481	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-H2O-H"	-19.01839
"71432"	85.741524	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M-3H"	-3.021828
"517435"	129.115924	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M-3H"	-3.021828
"892076"	42.367124	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-3H"	-3.021828
"13567"	129.115924	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M-2H"	-2.014552
"445837"	194.177524	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M-2H"	-2.014552
"831666"	64.054324	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-2H"	-2.014552
"86916"	259.239124	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M-H"	-1.007276
"531581"	389.362324	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M-H"	-1.007276
"905373"	129.115924	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-H"	-1.007276
"62309"	276.265671	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M-2H+NH4"	16.019271
"501504"	406.388871	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M-2H+NH4"	16.019271
"872740"	146.142471	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-2H+NH4"	16.019271
"40641"	281.221066	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M-2H+Na"	20.974666
"483481"	411.344266	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M-2H+Na"	20.974666
"862866"	151.097866	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-2H+Na"	20.974666
"1631911"	151.097866	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Na-2H"	20.974666
"109627"	147.104263	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M-H+Cl"	33.962126
"549433"	212.165863	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M-H+Cl"	33.962126
"942668"	82.042663	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-H+Cl"	33.962126
"282522"	295.215802	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+Cl"	34.969402
"675176"	425.339002	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+Cl"	34.969402
"1287085"	165.092602	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Cl"	34.969402
"29642"	297.195006	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M-2H+K"	36.948606
"463735"	427.318206	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M-2H+K"	36.948606
"841537"	167.071806	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-2H+K"	36.948606
"1569400"	167.071806	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+K-2H"	36.948606
"958446"	175.121394	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-H+HCOOH"	44.998194
"377054"	305.244601	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+HCOOH-H"	44.998201
"360359"	319.260251	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+Hac-H"	59.013851
"1507984"	189.137051	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Hac-H"	59.013851
"973213"	197.103351	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-H+NaCOOH"	66.980151
"123213"	165.092602	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+2Cl"	69.938804
"555480"	230.154202	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+2Cl"	69.938804
"1024281"	100.031002	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2Cl"	69.938804
"1244953"	209.042085	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Br"	78.918885
"1307400"	211.098072	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Cl+HCOOH"	80.974872
"1321616"	233.080029	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Cl+NaCOOH"	102.956829
"912676"	243.108786	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M-H+CF3COOH"	112.985586
"1290478"	279.085464	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Cl+CF3COOH"	148.962264
"1370827"	95.110524	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H-2H2O"	-35.012676
"1392714"	113.1205	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H-H2O"	-17.0027
"296044"	261.253676	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+H"	1.007276
"689198"	391.376876	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+H"	1.007276
"1364817"	131.130476	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H"	1.007276
"140500"	131.130476	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+2H"	2.014552
"579080"	196.192076	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+2H"	2.014552
"1051894"	66.068876	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2H"	2.014552
"217728"	87.756076	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+3H"	3.021828
"659477"	131.130476	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+3H"	3.021828
"1173468"	44.381676	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+3H"	3.021828
"433460"	278.280223	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+NH4"	18.033823
"795548"	408.403423	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+NH4"	18.033823
"1694438"	148.157023	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+NH4"	18.033823
"341254"	139.6437495	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+H+NH4"	19.041099
"736227"	204.7053495	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+H+NH4"	19.041099
"1490777"	74.5821495	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H+NH4"	19.041099
"406907"	283.235618	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+Na"	22.989218
"769241"	413.358818	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+Na"	22.989218
"1616362"	153.112418	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Na"	22.989218
"327857"	142.121447	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+H+Na"	23.996494
"721252"	207.183047	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+H+Na"	23.996494
"1475926"	77.059847	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H+Na"	23.996494
"1068078"	51.70899	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2H+Na"	25.00377
"1272064"	163.156686	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+CH3OH+H"	33.033486
"389421"	299.209558	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+K"	38.963158
"751514"	429.332758	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+K"	38.963158
"1553205"	169.086358	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+K"	38.963158
"309649"	150.108417	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+H+K"	39.970434
"703165"	215.170017	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+H+K"	39.970434
"1454796"	85.046817	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H+K"	39.970434
"244491"	302.280226	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+ACN+H"	42.033826
"1216108"	172.157026	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+ACN+H"	42.033826
"1209849"	86.582151	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+ACN+2H"	43.041102
"204161"	305.21756	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+2Na-H"	44.97116
"643000"	435.34076	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+2Na-H"	44.97116
"1144679"	175.09436	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2Na-H"	44.97116
"186877"	153.112418	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+2Na"	45.978436
"626439"	218.174018	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+2Na"	45.978436
"1129212"	88.050818	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2Na"	45.978436
"1413228"	59.036304	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H+2Na"	46.985712
"1444980"	177.135946	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H+HCOOH"	47.012746
"235166"	158.14544	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+3H2O+2H"	56.04448
"1523588"	191.18799	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+IsoProp+H"	61.06479
"423152"	161.099388	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+Na+K"	61.952376
"784028"	226.160988	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+Na+K"	61.952376
"1680378"	96.037788	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Na+K"	61.952376
"266277"	324.262168	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+ACN+Na"	64.015768
"1241141"	194.138968	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+ACN+Na"	64.015768
"1728279"	194.162493	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+NH4+HCOOH"	64.039293
"1194087"	66.363618	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+3Na"	68.967654
"1664466"	199.117888	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Na+HCOOH"	68.994688
"172414"	337.16544	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+2K-H"	76.91904
"611850"	467.28864	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+2K-H"	76.91904
"1095394"	207.04224	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2K-H"	76.91904
"149299"	169.086358	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"2M+2K"	77.926316
"589951"	234.147958	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"3M+2K"	77.926316
"1070090"	104.024758	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2K"	77.926316
"1104390"	209.056792	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2K+H"	78.933592
"1340778"	209.144407	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+DMSO+H"	79.021207
"1015869"	213.183576	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2ACN+H"	83.060376
"1539098"	214.177208	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+IsoProp+Na+H"	84.054008
"1001537"	107.095426	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+2ACN+2H"	84.067652
"1597131"	215.091828	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+K+HCOOH"	84.968628
"1427164"	245.123338	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+H+CF3COOH"	115.000138
"1161826"	127.608701	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+3ACN+2H"	125.094202
"1708097"	262.149885	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+NH4+CF3COOH"	132.026685
"1642654"	267.10528	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+Na+CF3COOH"	136.98208
"1579398"	283.07922	"C01149"	"4-Trimethylammoniobutanal"	"C7H16NO"	"130.1232"	"M+K+CF3COOH"	152.95602
"814869"	309.9855	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M"	0
"987675"	290.96711	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H2O-H"	-19.01839
"74823"	205.649724	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-3H"	-3.021828
"516939"	308.978224	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-3H"	-3.021828
"894008"	102.321224	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-3H"	-3.021828
"12584"	308.978224	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H"	-2.014552
"449226"	463.970974	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H"	-2.014552
"832023"	153.985474	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H"	-2.014552
"87026"	618.963724	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-H"	-1.007276
"532422"	928.949224	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-H"	-1.007276
"907305"	308.978224	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H"	-1.007276
"62339"	635.990271	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+NH4"	16.019271
"501735"	945.975771	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+NH4"	16.019271
"872850"	326.004771	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+NH4"	16.019271
"40751"	640.945666	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+Na"	20.974666
"485294"	950.931166	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+Na"	20.974666
"862487"	330.960166	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+Na"	20.974666
"1632630"	330.960166	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na-2H"	20.974666
"109171"	326.966563	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-H+Cl"	33.962126
"548847"	481.959313	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-H+Cl"	33.962126
"942763"	171.973813	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+Cl"	33.962126
"281893"	654.940402	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Cl"	34.969402
"675043"	964.925902	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Cl"	34.969402
"1286102"	344.954902	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl"	34.969402
"29752"	656.919606	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+K"	36.948606
"466032"	966.905106	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+K"	36.948606
"841647"	346.934106	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+K"	36.948606
"1569510"	346.934106	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K-2H"	36.948606
"955208"	354.983694	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+HCOOH"	44.998194
"372698"	664.969201	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+HCOOH-H"	44.998201
"358767"	678.984851	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Hac-H"	59.013851
"1506877"	368.999351	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Hac-H"	59.013851
"971136"	376.965651	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+NaCOOH"	66.980151
"117127"	344.954902	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Cl"	69.938804
"553405"	499.947652	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Cl"	69.938804
"1022081"	189.962152	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Cl"	69.938804
"1243970"	388.904385	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Br"	78.918885
"1306417"	390.960372	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+HCOOH"	80.974872
"1320631"	412.942329	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+NaCOOH"	102.956829
"912786"	422.971086	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+CF3COOH"	112.985586
"1290589"	458.947764	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+CF3COOH"	148.962264
"1373125"	274.972824	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H-2H2O"	-35.012676
"1395010"	292.9828	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H-H2O"	-17.0027
"294698"	620.978276	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H"	1.007276
"689671"	930.963776	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H"	1.007276
"1363107"	310.992776	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H"	1.007276
"140853"	310.992776	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2H"	2.014552
"580162"	465.985526	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2H"	2.014552
"1052125"	156.000026	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2H"	2.014552
"219539"	207.664276	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H"	3.021828
"658861"	310.992776	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+3H"	3.021828
"1174671"	104.335776	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3H"	3.021828
"433570"	638.004823	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+NH4"	18.033823
"792742"	947.990323	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+NH4"	18.033823
"1695156"	328.019323	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4"	18.033823
"341728"	319.5060495	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+NH4"	19.041099
"737068"	474.4987995	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+NH4"	19.041099
"1490889"	164.5132995	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+NH4"	19.041099
"407261"	642.960218	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na"	22.989218
"769109"	952.945718	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na"	22.989218
"1615745"	332.974718	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na"	22.989218
"329308"	321.983747	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+Na"	23.996494
"721607"	476.976497	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+Na"	23.996494
"1475916"	166.990997	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+Na"	23.996494
"1067461"	111.66309	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2H+Na"	25.00377
"1269864"	343.018986	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+CH3OH+H"	33.033486
"389531"	658.934158	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+K"	38.963158
"753453"	968.919658	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+K"	38.963158
"1553313"	348.948658	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K"	38.963158
"311946"	329.970717	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+K"	39.970434
"704368"	484.963467	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+K"	39.970434
"1454907"	174.977967	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+K"	39.970434
"245694"	662.004826	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+H"	42.033826
"1216217"	352.019326	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+H"	42.033826
"1209677"	176.513301	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+2H"	43.041102
"204184"	664.94216	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na-H"	44.97116
"642502"	974.92766	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na-H"	44.97116
"1145032"	354.95666	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na-H"	44.97116
"187354"	332.974718	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na"	45.978436
"626547"	487.967468	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na"	45.978436
"1128228"	177.981968	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na"	45.978436
"1411025"	118.990404	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+2Na"	46.985712
"1436944"	356.998246	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+HCOOH"	47.012746
"235278"	338.00774	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H2O+2H"	56.04448
"1523699"	371.05029	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+H"	61.06479
"420949"	340.961688	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na+K"	61.952376
"781953"	495.954438	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na+K"	61.952376
"1680850"	185.968938	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+K"	61.952376
"266755"	683.986768	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+Na"	64.015768
"1241015"	374.001268	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+Na"	64.015768
"1727269"	374.024793	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+HCOOH"	64.039293
"1194000"	126.317718	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3Na"	68.967654
"1664822"	378.980188	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+HCOOH"	68.994688
"171429"	696.89004	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K-H"	76.91904
"611717"	1006.87554	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K-H"	76.91904
"1096601"	386.90454	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K-H"	76.91904
"153055"	348.948658	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K"	77.926316
"590061"	503.941408	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K"	77.926316
"1074574"	193.955908	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K"	77.926316
"1103407"	388.919092	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K+H"	78.933592
"1339794"	389.006707	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+DMSO+H"	79.021207
"1017073"	393.045876	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+H"	83.060376
"1535926"	394.039508	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+Na+H"	84.054008
"1003833"	197.026576	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+2H"	84.067652
"1597243"	394.954128	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K+HCOOH"	84.968628
"1425088"	424.985638	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+CF3COOH"	115.000138
"1158656"	217.539851	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3ACN+2H"	125.094202
"1707114"	442.012185	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+CF3COOH"	132.026685
"1641671"	446.96758	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+CF3COOH"	136.98208
"1578415"	462.94152	"C01151"	"D-Ribose 15-bisphosphate;Ribose 15-bisphosphate;alpha-D-Ribose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K+CF3COOH"	152.95602
"813156"	169.0851	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M"	0
"988879"	150.06671	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-H2O-H"	-19.01839
"76392"	111.716124	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M-3H"	-3.021828
"516318"	168.077824	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M-3H"	-3.021828
"890108"	55.354424	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-3H"	-3.021828
"11236"	168.077824	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M-2H"	-2.014552
"448243"	252.620374	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M-2H"	-2.014552
"829330"	83.535274	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-2H"	-2.014552
"93831"	337.162924	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M-H"	-1.007276
"533627"	506.248024	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M-H"	-1.007276
"910093"	168.077824	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-H"	-1.007276
"60948"	354.189471	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M-2H+NH4"	16.019271
"498440"	523.274571	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M-2H+NH4"	16.019271
"876240"	185.104371	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-2H+NH4"	16.019271
"43777"	359.144866	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M-2H+Na"	20.974666
"483337"	528.229966	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M-2H+Na"	20.974666
"863206"	190.059766	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-2H+Na"	20.974666
"1633225"	190.059766	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Na-2H"	20.974666
"108915"	186.066163	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M-H+Cl"	33.962126
"548833"	270.608713	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M-H+Cl"	33.962126
"941991"	101.523613	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-H+Cl"	33.962126
"282127"	373.139602	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+Cl"	34.969402
"674912"	542.224702	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+Cl"	34.969402
"1286212"	204.054502	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Cl"	34.969402
"30231"	375.118806	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M-2H+K"	36.948606
"467236"	544.203906	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M-2H+K"	36.948606
"843945"	206.033706	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-2H+K"	36.948606
"1566341"	206.033706	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+K-2H"	36.948606
"952038"	214.083294	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-H+HCOOH"	44.998194
"373536"	383.168401	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+HCOOH-H"	44.998201
"357055"	397.184051	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+Hac-H"	59.013851
"1506987"	228.098951	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Hac-H"	59.013851
"970153"	236.065251	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-H+NaCOOH"	66.980151
"116143"	204.054502	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+2Cl"	69.938804
"552422"	288.597052	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+2Cl"	69.938804
"1025596"	119.511952	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2Cl"	69.938804
"1243351"	248.003985	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Br"	78.918885
"1306893"	250.059972	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Cl+HCOOH"	80.974872
"1321836"	272.041929	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Cl+NaCOOH"	102.956829
"917270"	282.070686	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M-H+CF3COOH"	112.985586
"1292886"	318.047364	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Cl+CF3COOH"	148.962264
"1374328"	134.072424	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H-2H2O"	-35.012676
"1394757"	152.0824	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H-H2O"	-17.0027
"295901"	339.177476	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+H"	1.007276
"690508"	508.262576	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+H"	1.007276
"1366492"	170.092376	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H"	1.007276
"141086"	170.092376	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+2H"	2.014552
"579300"	254.634926	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+2H"	2.014552
"1051139"	85.549826	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2H"	2.014552
"219649"	113.730676	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+3H"	3.021828
"659209"	170.092376	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+3H"	3.021828
"1174782"	57.368976	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+3H"	3.021828
"434044"	356.204023	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+NH4"	18.033823
"792488"	525.289123	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+NH4"	18.033823
"1695026"	187.118923	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+NH4"	18.033823
"342567"	178.6056495	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+H+NH4"	19.041099
"737663"	263.1481995	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+H+NH4"	19.041099
"1492457"	94.0630995	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H+NH4"	19.041099
"407734"	361.159418	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+Na"	22.989218
"769336"	530.244518	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+Na"	22.989218
"1616581"	192.074318	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Na"	22.989218
"329172"	181.083347	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+H+Na"	23.996494
"722283"	265.625897	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+H+Na"	23.996494
"1475051"	96.540797	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H+Na"	23.996494
"1066959"	64.69629	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2H+Na"	25.00377
"1269974"	202.118586	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+CH3OH+H"	33.033486
"389641"	377.133358	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+K"	38.963158
"752711"	546.218458	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+K"	38.963158
"1553787"	208.048258	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+K"	38.963158
"309870"	189.070317	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+H+K"	39.970434
"705208"	273.612867	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+H+K"	39.970434
"1450645"	104.527767	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H+K"	39.970434
"239246"	380.204026	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+ACN+H"	42.033826
"1211954"	211.118926	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+ACN+H"	42.033826
"1209100"	106.063101	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+ACN+2H"	43.041102
"203670"	383.14136	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+2Na-H"	44.97116
"641759"	552.22646	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+2Na-H"	44.97116
"1144170"	214.05626	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2Na-H"	44.97116
"186736"	192.074318	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+2Na"	45.978436
"625198"	276.616868	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+2Na"	45.978436
"1123599"	107.531768	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2Na"	45.978436
"1408219"	72.023604	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H+2Na"	46.985712
"1434867"	216.097846	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H+HCOOH"	47.012746
"225656"	197.10734	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+3H2O+2H"	56.04448
"1522470"	230.14989	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+IsoProp+H"	61.06479
"418873"	200.061288	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+Na+K"	61.952376
"784249"	284.603838	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+Na+K"	61.952376
"1680959"	115.518738	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Na+K"	61.952376
"266745"	402.185968	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+ACN+Na"	64.015768
"1240680"	233.100868	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+ACN+Na"	64.015768
"1727742"	233.124393	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+NH4+HCOOH"	64.039293
"1193944"	79.350918	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+3Na"	68.967654
"1664562"	238.079788	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Na+HCOOH"	68.994688
"170081"	415.08924	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+2K-H"	76.91904
"611827"	584.17434	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+2K-H"	76.91904
"1098533"	246.00414	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2K-H"	76.91904
"154257"	208.048258	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"2M+2K"	77.926316
"595884"	292.590808	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"3M+2K"	77.926316
"1074685"	123.505708	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2K"	77.926316
"1104613"	248.018692	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2K+H"	78.933592
"1340998"	248.106307	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+DMSO+H"	79.021207
"1014995"	252.145476	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2ACN+H"	83.060376
"1536401"	253.139108	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+IsoProp+Na+H"	84.054008
"1001756"	126.576376	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+2ACN+2H"	84.067652
"1597352"	254.053728	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+K+HCOOH"	84.968628
"1423011"	284.085238	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+H+CF3COOH"	115.000138
"1159860"	147.089651	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+3ACN+2H"	125.094202
"1708318"	301.111785	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+NH4+CF3COOH"	132.026685
"1641781"	306.06718	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+Na+CF3COOH"	136.98208
"1578525"	322.04112	"C01152"	"N(pi)-Methyl-L-histidine;N-pros-Methyl-L-histidine;3-Methylhistidine;1-Methylhistidine"	"C7H11N3O2"	"169.0851"	"M+K+CF3COOH"	152.95602
"815457"	461.9563	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M"	0
"985709"	442.93791	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H2O-H"	-19.01839
"75044"	306.963590666667	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-3H"	-3.021828
"512416"	460.949024	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-3H"	-3.021828
"890218"	152.978157333333	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-3H"	-3.021828
"9888"	460.949024	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H"	-2.014552
"450543"	691.927174	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H"	-2.014552
"827982"	229.970874	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H"	-2.014552
"90162"	922.905324	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-H"	-1.007276
"531547"	1384.861624	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-H"	-1.007276
"910454"	460.949024	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H"	-1.007276
"61058"	939.931871	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H+NH4"	16.019271
"496364"	1401.888171	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H+NH4"	16.019271
"877446"	477.975571	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H+NH4"	16.019271
"44252"	944.887266	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H+Na"	20.974666
"486002"	1406.843566	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H+Na"	20.974666
"863437"	482.930966	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H+Na"	20.974666
"1633834"	482.930966	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na-2H"	20.974666
"109756"	478.937363	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-H+Cl"	33.962126
"548333"	709.915513	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-H+Cl"	33.962126
"942383"	247.959213	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+Cl"	33.962126
"281996"	958.882002	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Cl"	34.969402
"674533"	1420.838302	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+Cl"	34.969402
"1287752"	496.925702	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl"	34.969402
"29734"	960.861206	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H+K"	36.948606
"469533"	1422.817506	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H+K"	36.948606
"845149"	498.904906	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H+K"	36.948606
"1565358"	498.904906	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K-2H"	36.948606
"948871"	506.954494	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+HCOOH"	44.998194
"373647"	968.910801	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+HCOOH-H"	44.998201
"357171"	982.926451	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Hac-H"	59.013851
"1506368"	520.970151	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Hac-H"	59.013851
"967346"	528.936451	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+NaCOOH"	66.980151
"114065"	496.925702	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2Cl"	69.938804
"550704"	727.903852	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2Cl"	69.938804
"1026801"	265.947552	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2Cl"	69.938804
"1242365"	540.875185	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Br"	78.918885
"1305176"	542.931172	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl+HCOOH"	80.974872
"1320853"	564.913129	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl+NaCOOH"	102.956829
"911540"	574.941886	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+CF3COOH"	112.985586
"1290079"	610.918564	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl+CF3COOH"	148.962264
"1382349"	426.943624	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H-2H2O"	-35.012676
"1397780"	444.9536	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H-H2O"	-17.0027
"297830"	924.919876	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H"	1.007276
"686245"	1386.876176	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H"	1.007276
"1366843"	462.963576	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H"	1.007276
"141394"	462.963576	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2H"	2.014552
"580995"	693.941726	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2H"	2.014552
"1051500"	231.985426	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2H"	2.014552
"219640"	308.978142666667	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+3H"	3.021828
"658836"	462.963576	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+3H"	3.021828
"1174893"	154.992709333333	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+3H"	3.021828
"438411"	941.946423	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+NH4"	18.033823
"799531"	1403.902723	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+NH4"	18.033823
"1695494"	479.990123	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+NH4"	18.033823
"342677"	471.4768495	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H+NH4"	19.041099
"738383"	702.4549995	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H+NH4"	19.041099
"1491472"	240.4986995	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+NH4"	19.041099
"407599"	946.901818	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Na"	22.989218
"768595"	1408.858118	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+Na"	22.989218
"1618415"	484.945518	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na"	22.989218
"327822"	473.954547	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H+Na"	23.996494
"719148"	704.932697	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H+Na"	23.996494
"1472969"	242.976397	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+Na"	23.996494
"1064030"	162.320023333333	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2H+Na"	25.00377
"1265709"	494.989786	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+CH3OH+H"	33.033486
"391577"	962.875758	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+K"	38.963158
"754117"	1424.832058	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+K"	38.963158
"1555357"	500.919458	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K"	38.963158
"311072"	481.941517	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H+K"	39.970434
"702397"	712.919667	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H+K"	39.970434
"1454032"	250.963367	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+K"	39.970434
"247741"	965.946426	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+ACN+H"	42.033826
"1225360"	503.990126	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+ACN+H"	42.033826
"1209332"	252.498701	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+ACN+2H"	43.041102
"204094"	968.88376	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2Na-H"	44.97116
"641505"	1430.84006	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2Na-H"	44.97116
"1145986"	506.92746	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2Na-H"	44.97116
"186115"	484.945518	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2Na"	45.978436
"623487"	715.923668	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2Na"	45.978436
"1130649"	253.967368	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2Na"	45.978436
"1411611"	169.647337333333	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+2Na"	46.985712
"1441539"	508.969046	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+HCOOH"	47.012746
"234765"	489.97854	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+3H2O+2H"	56.04448
"1522584"	523.02109	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+IsoProp+H"	61.06479
"422030"	492.932488	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Na+K"	61.952376
"784728"	723.910638	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+Na+K"	61.952376
"1680460"	261.954338	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na+K"	61.952376
"265402"	987.928368	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+ACN+Na"	64.015768
"1240542"	525.972068	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+ACN+Na"	64.015768
"1727607"	525.995593	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+NH4+HCOOH"	64.039293
"1193810"	176.974651333333	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+3Na"	68.967654
"1664553"	530.950988	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na+HCOOH"	68.994688
"170199"	1000.83164	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2K-H"	76.91904
"607204"	1462.78794	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2K-H"	76.91904
"1094996"	538.87534	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2K-H"	76.91904
"152544"	500.919458	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2K"	77.926316
"583721"	731.897608	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2K"	77.926316
"1069811"	269.941308	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2K"	77.926316
"1102534"	540.889892	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2K+H"	78.933592
"1342197"	540.977507	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+DMSO+H"	79.021207
"1011823"	545.016676	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2ACN+H"	83.060376
"1533230"	546.010308	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+IsoProp+Na+H"	84.054008
"1000772"	273.011976	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2ACN+2H"	84.067652
"1598555"	546.924928	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K+HCOOH"	84.968628
"1426400"	576.956438	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+CF3COOH"	115.000138
"1155596"	293.525251	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+3ACN+2H"	125.094202
"1708428"	593.982985	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+NH4+CF3COOH"	132.026685
"1640798"	598.93838	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na+CF3COOH"	136.98208
"1578635"	614.91232	"C01155"	"Quercetin 33-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K+CF3COOH"	152.95602
"813380"	461.9563	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M"	0
"984726"	442.93791	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H2O-H"	-19.01839
"74061"	306.963590666667	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-3H"	-3.021828
"512526"	460.949024	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-3H"	-3.021828
"889235"	152.978157333333	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-3H"	-3.021828
"9998"	460.949024	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H"	-2.014552
"450653"	691.927174	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H"	-2.014552
"828456"	229.970874	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H"	-2.014552
"90271"	922.905324	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-H"	-1.007276
"532385"	1384.861624	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-H"	-1.007276
"908009"	460.949024	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H"	-1.007276
"59102"	939.931871	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H+NH4"	16.019271
"496474"	1401.888171	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H+NH4"	16.019271
"874276"	477.975571	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H+NH4"	16.019271
"42175"	944.887266	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H+Na"	20.974666
"482829"	1406.843566	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H+Na"	20.974666
"862818"	482.930966	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H+Na"	20.974666
"1633897"	482.930966	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na-2H"	20.974666
"108882"	478.937363	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-H+Cl"	33.962126
"548077"	709.915513	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-H+Cl"	33.962126
"942740"	247.959213	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+Cl"	33.962126
"282505"	958.882002	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Cl"	34.969402
"672941"	1420.838302	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+Cl"	34.969402
"1288441"	496.925702	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl"	34.969402
"29843"	960.861206	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M-2H+K"	36.948606
"469643"	1422.817506	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M-2H+K"	36.948606
"845258"	498.904906	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-2H+K"	36.948606
"1562187"	498.904906	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K-2H"	36.948606
"948981"	506.954494	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+HCOOH"	44.998194
"374852"	968.910801	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+HCOOH-H"	44.998201
"357281"	982.926451	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Hac-H"	59.013851
"1505385"	520.970151	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Hac-H"	59.013851
"971468"	528.936451	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+NaCOOH"	66.980151
"114175"	496.925702	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2Cl"	69.938804
"551910"	727.903852	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2Cl"	69.938804
"1026911"	265.947552	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2Cl"	69.938804
"1241987"	540.875185	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Br"	78.918885
"1305529"	542.931172	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl+HCOOH"	80.974872
"1320592"	564.913129	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl+NaCOOH"	102.956829
"911772"	574.941886	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M-H+CF3COOH"	112.985586
"1288844"	610.918564	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Cl+CF3COOH"	148.962264
"1378936"	426.943624	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H-2H2O"	-35.012676
"1397159"	444.9536	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H-H2O"	-17.0027
"297211"	924.919876	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H"	1.007276
"685259"	1386.876176	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H"	1.007276
"1363796"	462.963576	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H"	1.007276
"138870"	462.963576	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2H"	2.014552
"579525"	693.941726	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2H"	2.014552
"1051243"	231.985426	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2H"	2.014552
"216956"	308.978142666667	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+3H"	3.021828
"657970"	462.963576	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+3H"	3.021828
"1175003"	154.992709333333	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+3H"	3.021828
"434996"	941.946423	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+NH4"	18.033823
"797089"	1403.902723	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+NH4"	18.033823
"1690139"	479.990123	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+NH4"	18.033823
"339508"	471.4768495	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H+NH4"	19.041099
"733023"	702.4549995	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H+NH4"	19.041099
"1486845"	240.4986995	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+NH4"	19.041099
"404427"	946.901818	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Na"	22.989218
"764330"	1408.858118	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+Na"	22.989218
"1613525"	484.945518	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na"	22.989218
"327932"	473.954547	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H+Na"	23.996494
"714885"	704.932697	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H+Na"	23.996494
"1469798"	242.976397	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+Na"	23.996494
"1060856"	162.320023333333	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2H+Na"	25.00377
"1266912"	494.989786	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+CH3OH+H"	33.033486
"387677"	962.875758	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+K"	38.963158
"751953"	1424.832058	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+K"	38.963158
"1552548"	500.919458	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K"	38.963158
"311911"	481.941517	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+H+K"	39.970434
"700322"	712.919667	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+H+K"	39.970434
"1451955"	250.963367	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+K"	39.970434
"244935"	965.946426	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+ACN+H"	42.033826
"1224208"	503.990126	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+ACN+H"	42.033826
"1207364"	252.498701	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+ACN+2H"	43.041102
"202058"	968.88376	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2Na-H"	44.97116
"641612"	1430.84006	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2Na-H"	44.97116
"1144394"	506.92746	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2Na-H"	44.97116
"185497"	484.945518	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2Na"	45.978436
"621410"	715.923668	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2Na"	45.978436
"1128562"	253.967368	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2Na"	45.978436
"1412085"	169.647337333333	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+2Na"	46.985712
"1441649"	508.969046	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+HCOOH"	47.012746
"232443"	489.97854	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+3H2O+2H"	56.04448
"1523747"	523.02109	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+IsoProp+H"	61.06479
"420194"	492.932488	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+Na+K"	61.952376
"785524"	723.910638	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+Na+K"	61.952376
"1681247"	261.954338	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na+K"	61.952376
"265632"	987.928368	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+ACN+Na"	64.015768
"1240040"	525.972068	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+ACN+Na"	64.015768
"1727717"	525.995593	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+NH4+HCOOH"	64.039293
"1193432"	176.974651333333	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+3Na"	68.967654
"1663934"	530.950988	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na+HCOOH"	68.994688
"171404"	1000.83164	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2K-H"	76.91904
"606221"	1462.78794	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2K-H"	76.91904
"1092920"	538.87534	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2K-H"	76.91904
"153748"	500.919458	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"2M+2K"	77.926316
"583832"	731.897608	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"3M+2K"	77.926316
"1069557"	269.941308	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2K"	77.926316
"1101672"	540.889892	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2K+H"	78.933592
"1340122"	540.977507	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+DMSO+H"	79.021207
"1009748"	545.016676	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2ACN+H"	83.060376
"1533341"	546.010308	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+IsoProp+Na+H"	84.054008
"1000883"	273.011976	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+2ACN+2H"	84.067652
"1597572"	546.924928	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K+HCOOH"	84.968628
"1426510"	576.956438	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+H+CF3COOH"	115.000138
"1156799"	293.525251	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+3ACN+2H"	125.094202
"1708538"	593.982985	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+NH4+CF3COOH"	132.026685
"1640908"	598.93838	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+Na+CF3COOH"	136.98208
"1578745"	614.91232	"C01156"	"Quercetin 34-bissulfate"	"C15H10O13S2"	"461.9563"	"M+K+CF3COOH"	152.95602
"812396"	131.0582	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M"	0
"980459"	112.03981	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"68702"	86.3648573333333	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"514825"	130.050924	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"887158"	42.6787906666667	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"13025"	130.050924	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"450764"	195.580024	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"830389"	64.521824	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"92934"	261.109124	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"533590"	392.167324	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"909213"	130.050924	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"61157"	278.135671	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"499865"	409.193871	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"877668"	147.077471	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"46462"	283.091066	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"482940"	414.149266	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"863746"	152.032866	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1631005"	152.032866	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"109852"	148.039263	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"548190"	213.568363	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"942605"	82.510163	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"282331"	297.085802	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"675614"	428.144002	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1288384"	166.027602	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"30684"	299.065006	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"470851"	430.123206	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"846461"	168.006806	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1569954"	168.006806	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"951278"	176.056394	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"373868"	307.114601	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"360307"	321.130251	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1507681"	190.072051	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"969390"	198.038351	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"114285"	166.027602	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"554942"	231.556702	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1027021"	100.498502	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1248788"	209.977085	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1312331"	212.033072	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1324359"	234.015029	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"924166"	244.043786	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1296500"	280.020464	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1382695"	96.045524	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1398356"	114.0555	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"298052"	263.123676	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"687558"	394.181876	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1365730"	132.065476	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"140806"	132.065476	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"581207"	197.594576	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1052083"	66.536376	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"219495"	88.3794093333333	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"656991"	132.065476	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1177669"	44.6933426666667	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"439483"	280.150223	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"799630"	411.208423	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1694260"	149.092023	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"343631"	140.5787495	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"737146"	206.1078495	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1490238"	75.0496495	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"405271"	285.105618	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"766628"	416.163818	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1616550"	154.047418	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"325857"	143.056447	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"717183"	208.585547	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1474284"	77.527347	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1063155"	52.0206566666667	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1268116"	164.091686	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"388880"	301.079558	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"752427"	432.137758	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1555210"	170.021358	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"312388"	151.043417	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"701525"	216.572517	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1457168"	85.514317	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"248689"	304.150226	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1224198"	173.092026	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1207474"	87.049651	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"204076"	307.08756	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"642092"	438.14576	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1144134"	176.02936	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"188519"	154.047418	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"622612"	219.576518	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1129036"	88.518318	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1404539"	59.3479706666667	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1441759"	178.070946	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"229267"	159.08044	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1522436"	192.12299	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"421032"	162.034388	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"785432"	227.563488	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1681012"	96.505288	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"266918"	326.132168	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1240879"	195.073968	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1728353"	195.097493	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1193868"	66.6752846666667	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1663921"	200.052888	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"171508"	339.03544	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"607426"	470.09364	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1097769"	207.97724	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"153856"	170.021358	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"587222"	235.550458	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1073917"	104.492258	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1101901"	209.991792	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1342418"	210.079407	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1012043"	214.118576	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1527980"	215.112208	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"995525"	107.562926	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1597682"	216.026828	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1426622"	246.058338	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1160189"	128.076201	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1709740"	263.084885	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1641016"	268.04028	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1572293"	284.01422	"C01157"	"Hydroxyproline;L-Hydroxyproline;trans-4-Hydroxy-L-proline"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"802659"	332.0743	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M"	0
"987132"	313.05591	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-H2O-H"	-19.01839
"71000"	220.375590666667	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M-3H"	-3.021828
"513840"	331.067024	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M-3H"	-3.021828
"891642"	109.684157333333	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-3H"	-3.021828
"6937"	331.067024	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M-2H"	-2.014552
"450510"	497.104174	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M-2H"	-2.014552
"826489"	165.029874	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-2H"	-2.014552
"88304"	663.141324	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M-H"	-1.007276
"531149"	995.215624	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M-H"	-1.007276
"902756"	331.067024	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-H"	-1.007276
"50569"	680.167871	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M-2H+NH4"	16.019271
"497420"	1012.242171	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M-2H+NH4"	16.019271
"871211"	348.093571	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-2H+NH4"	16.019271
"39111"	685.123266	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M-2H+Na"	20.974666
"479765"	1017.197566	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M-2H+Na"	20.974666
"851006"	353.048966	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-2H+Na"	20.974666
"1627100"	353.048966	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Na-2H"	20.974666
"107277"	349.055363	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M-H+Cl"	33.962126
"544284"	515.092513	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M-H+Cl"	33.962126
"932331"	183.018213	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-H+Cl"	33.962126
"273076"	699.118002	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+Cl"	34.969402
"666592"	1031.192302	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+Cl"	34.969402
"1280090"	367.043702	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Cl"	34.969402
"30754"	701.097206	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M-2H+K"	36.948606
"467677"	1033.171506	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M-2H+K"	36.948606
"846208"	369.022906	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-2H+K"	36.948606
"1564594"	369.022906	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+K-2H"	36.948606
"954668"	377.072494	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-H+HCOOH"	44.998194
"375071"	709.146801	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+HCOOH-H"	44.998201
"356770"	723.162451	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+Hac-H"	59.013851
"1506697"	391.088151	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Hac-H"	59.013851
"969500"	399.054451	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-H+NaCOOH"	66.980151
"112209"	367.043702	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+2Cl"	69.938804
"555052"	533.080852	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+2Cl"	69.938804
"1026038"	201.006552	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2Cl"	69.938804
"1246712"	410.993185	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Br"	78.918885
"1311348"	413.049172	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Cl+HCOOH"	80.974872
"1323376"	435.031129	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Cl+NaCOOH"	102.956829
"923183"	445.059886	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M-H+CF3COOH"	112.985586
"1297704"	481.036564	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Cl+CF3COOH"	148.962264
"1382433"	297.061624	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H-2H2O"	-35.012676
"1395556"	315.0716	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H-H2O"	-17.0027
"297795"	665.155876	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+H"	1.007276
"687300"	997.230176	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+H"	1.007276
"1364743"	333.081576	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H"	1.007276
"137994"	333.081576	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+2H"	2.014552
"579748"	499.118726	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+2H"	2.014552
"1049277"	167.044426	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2H"	2.014552
"216447"	222.390142666667	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+3H"	3.021828
"656008"	333.081576	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+3H"	3.021828
"1178143"	111.698709333333	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+3H"	3.021828
"438133"	682.182423	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+NH4"	18.033823
"797309"	1014.256723	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+NH4"	18.033823
"1694372"	350.108123	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+NH4"	18.033823
"344105"	341.5948495	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+H+NH4"	19.041099
"737256"	507.6319995	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+H+NH4"	19.041099
"1490351"	175.5576995	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H+NH4"	19.041099
"405017"	687.137818	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+Na"	22.989218
"766376"	1019.212118	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+Na"	22.989218
"1612648"	355.063518	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Na"	22.989218
"325965"	344.072547	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+H+Na"	23.996494
"719480"	510.109697	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+H+Na"	23.996494
"1472207"	178.035397	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H+Na"	23.996494
"1062173"	119.026023333333	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2H+Na"	25.00377
"1267862"	365.107786	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+CH3OH+H"	33.033486
"390449"	703.111758	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+K"	38.963158
"753636"	1035.186058	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+K"	38.963158
"1554593"	371.037458	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+K"	38.963158
"313228"	352.059517	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+H+K"	39.970434
"703458"	518.096667	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+H+K"	39.970434
"1457278"	186.022367	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H+K"	39.970434
"245152"	706.182426	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+ACN+H"	42.033826
"1222607"	374.108126	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+ACN+H"	42.033826
"1207949"	187.557701	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+ACN+2H"	43.041102
"201548"	709.11976	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+2Na-H"	44.97116
"641473"	1041.19406	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+2Na-H"	44.97116
"1143151"	377.04546	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2Na-H"	44.97116
"180976"	355.063518	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+2Na"	45.978436
"621629"	521.100668	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+2Na"	45.978436
"1129146"	189.026368	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2Na"	45.978436
"1409753"	126.353337333333	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H+2Na"	46.985712
"1438589"	379.087046	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H+HCOOH"	47.012746
"226097"	360.09654	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+3H2O+2H"	56.04448
"1520721"	393.13909	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+IsoProp+H"	61.06479
"421142"	363.050488	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+Na+K"	61.952376
"783597"	529.087638	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+Na+K"	61.952376
"1681226"	197.013338	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Na+K"	61.952376
"266910"	728.164368	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+ACN+Na"	64.015768
"1240624"	396.090068	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+ACN+Na"	64.015768
"1727773"	396.113593	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+NH4+HCOOH"	64.039293
"1193533"	133.680651333333	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+3Na"	68.967654
"1662937"	401.068988	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Na+HCOOH"	68.994688
"167976"	741.06764	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+2K-H"	76.91904
"610816"	1073.14194	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+2K-H"	76.91904
"1097880"	408.99334	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2K-H"	76.91904
"153969"	371.037458	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"2M+2K"	77.926316
"593893"	537.074608	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"3M+2K"	77.926316
"1075121"	205.000308	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2K"	77.926316
"1101403"	411.007892	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2K+H"	78.933592
"1340342"	411.095507	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+DMSO+H"	79.021207
"1008874"	415.134676	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2ACN+H"	83.060376
"1525903"	416.128308	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+IsoProp+Na+H"	84.054008
"996729"	208.070976	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+2ACN+2H"	84.067652
"1597792"	417.042928	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+K+HCOOH"	84.968628
"1426731"	447.074438	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+H+CF3COOH"	115.000138
"1160297"	228.584251	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+3ACN+2H"	125.094202
"1707663"	464.100985	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+NH4+CF3COOH"	132.026685
"1641125"	469.05638	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+Na+CF3COOH"	136.98208
"1573497"	485.03032	"C01158"	"1-O-Galloyl-beta-D-glucose;1-Galloyl-beta-glucose;beta-Glucogallin;1-Galloyl-beta-D-glucose"	"C13H16O10"	"332.0743"	"M+K+CF3COOH"	152.95602
"803132"	265.9593	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M"	0
"987243"	246.94091	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-H2O-H"	-19.01839
"71110"	176.298924	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M-3H"	-3.021828
"516137"	264.952024	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M-3H"	-3.021828
"893939"	87.645824	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-3H"	-3.021828
"3764"	264.952024	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M-2H"	-2.014552
"450984"	397.931674	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M-2H"	-2.014552
"823317"	131.972374	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-2H"	-2.014552
"88778"	530.911324	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M-H"	-1.007276
"529798"	796.870624	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M-H"	-1.007276
"905054"	264.952024	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-H"	-1.007276
"55053"	547.937871	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M-2H+NH4"	16.019271
"498624"	813.897171	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M-2H+NH4"	16.019271
"872414"	281.978571	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-2H+NH4"	16.019271
"39221"	552.893266	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M-2H+Na"	20.974666
"479875"	818.852566	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M-2H+Na"	20.974666
"851116"	286.933966	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-2H+Na"	20.974666
"1627210"	286.933966	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Na-2H"	20.974666
"107021"	282.940363	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M-H+Cl"	33.962126
"544394"	415.920013	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M-H+Cl"	33.962126
"932075"	149.960713	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-H+Cl"	33.962126
"274642"	566.888002	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+Cl"	34.969402
"667430"	832.847302	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+Cl"	34.969402
"1280200"	300.928702	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Cl"	34.969402
"27132"	568.867206	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M-2H+K"	36.948606
"467786"	834.826506	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M-2H+K"	36.948606
"846561"	302.907906	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-2H+K"	36.948606
"1561424"	302.907906	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+K-2H"	36.948606
"950401"	310.957494	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-H+HCOOH"	44.998194
"375183"	576.916801	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+HCOOH-H"	44.998201
"360163"	590.932451	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+Hac-H"	59.013851
"1505715"	324.973151	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Hac-H"	59.013851
"970339"	332.939451	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-H+NaCOOH"	66.980151
"117786"	300.928702	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+2Cl"	69.938804
"555162"	433.908352	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+2Cl"	69.938804
"1029428"	167.949052	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2Cl"	69.938804
"1247915"	344.878185	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Br"	78.918885
"1311458"	346.934172	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Cl+HCOOH"	80.974872
"1325672"	368.916129	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Cl+NaCOOH"	102.956829
"923293"	378.944886	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M-H+CF3COOH"	112.985586
"1297814"	414.921564	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Cl+CF3COOH"	148.962264
"1378167"	230.946624	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H-2H2O"	-35.012676
"1397732"	248.9566	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H-H2O"	-17.0027
"294257"	532.925876	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+H"	1.007276
"689961"	798.885176	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+H"	1.007276
"1364126"	266.966576	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H"	1.007276
"138105"	266.966576	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+2H"	2.014552
"578764"	399.946226	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+2H"	2.014552
"1048659"	133.986926	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2H"	2.014552
"216557"	178.313476	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+3H"	3.021828
"657940"	266.966576	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+3H"	3.021828
"1177889"	89.660376	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+3H"	3.021828
"437514"	549.952423	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+NH4"	18.033823
"798513"	815.911723	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+NH4"	18.033823
"1695210"	283.993123	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+NH4"	18.033823
"343122"	275.4798495	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+H+NH4"	19.041099
"737001"	408.4594995	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+H+NH4"	19.041099
"1490822"	142.5001995	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H+NH4"	19.041099
"405491"	554.907818	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+Na"	22.989218
"766121"	820.867118	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+Na"	22.989218
"1614945"	288.948518	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Na"	22.989218
"323888"	277.957547	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+H+Na"	23.996494
"720929"	410.937197	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+H+Na"	23.996494
"1472318"	144.977897	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H+Na"	23.996494
"1062283"	96.98769	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2H+Na"	25.00377
"1268336"	298.992786	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+CH3OH+H"	33.033486
"386914"	570.881758	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+K"	38.963158
"752283"	836.841058	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+K"	38.963158
"1554461"	304.922458	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+K"	38.963158
"313463"	285.944517	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+H+K"	39.970434
"704297"	418.924167	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+H+K"	39.970434
"1454472"	152.964867	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H+K"	39.970434
"246355"	573.952426	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+ACN+H"	42.033826
"1224298"	307.993126	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+ACN+H"	42.033826
"1209519"	154.500201	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+ACN+2H"	43.041102
"202629"	576.88976	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+2Na-H"	44.97116
"642555"	842.84906	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+2Na-H"	44.97116
"1142168"	310.93046	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2Na-H"	44.97116
"181086"	288.948518	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+2Na"	45.978436
"621739"	421.928168	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+2Na"	45.978436
"1129499"	155.968868	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2Na"	45.978436
"1409863"	104.315004	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H+2Na"	46.985712
"1438700"	312.972046	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H+HCOOH"	47.012746
"229488"	293.98154	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+3H2O+2H"	56.04448
"1518645"	327.02409	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+IsoProp+H"	61.06479
"421617"	296.935488	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+Na+K"	61.952376
"782979"	429.915138	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+Na+K"	61.952376
"1681017"	163.955838	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Na+K"	61.952376
"265840"	595.934368	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+ACN+Na"	64.015768
"1240008"	329.975068	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+ACN+Na"	64.015768
"1727560"	329.998593	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+NH4+HCOOH"	64.039293
"1193278"	111.642318	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+3Na"	68.967654
"1664141"	334.953988	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Na+HCOOH"	68.994688
"171000"	608.83764	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+2K-H"	76.91904
"611900"	874.79694	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+2K-H"	76.91904
"1098720"	342.87834	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2K-H"	76.91904
"155779"	304.922458	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"2M+2K"	77.926316
"596437"	437.902108	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"3M+2K"	77.926316
"1077056"	171.942808	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2K"	77.926316
"1104067"	344.892892	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2K+H"	78.933592
"1340453"	344.980507	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+DMSO+H"	79.021207
"1010078"	349.019676	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2ACN+H"	83.060376
"1529294"	350.013308	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+IsoProp+Na+H"	84.054008
"999025"	175.013476	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+2ACN+2H"	84.067652
"1595715"	350.927928	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+K+HCOOH"	84.968628
"1428663"	380.959438	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+H+CF3COOH"	115.000138
"1158220"	195.526751	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+3ACN+2H"	125.094202
"1706679"	397.985985	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+NH4+CF3COOH"	132.026685
"1641234"	402.94138	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+Na+CF3COOH"	136.98208
"1573607"	418.91532	"C01159"	"23-Bisphospho-D-glycerate;23-Disphospho-D-glycerate;D-Greenwald ester;DPG"	"C3H8O10P2"	"265.9593"	"M+K+CF3COOH"	152.95602
"804336"	168.0423	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M"	0
"989670"	149.02391	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"74500"	111.020924	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"515153"	167.035024	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"895021"	55.006824	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"8251"	167.035024	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"451823"	251.056174	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"830718"	83.013874	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"87794"	335.077324	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"527355"	503.119624	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"906258"	167.035024	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"59538"	352.103871	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"500681"	520.146171	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"878118"	184.061571	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"45771"	357.059266	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"483266"	525.101566	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"854506"	189.016966	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1630600"	189.016966	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"109282"	185.023363	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"546691"	269.044513	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"938019"	101.002213	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"274388"	371.054002	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"671186"	539.096302	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1283590"	203.011702	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"29428"	373.033206	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"467896"	541.075506	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"847521"	204.990906	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1560438"	204.990906	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"945403"	213.040494	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"370547"	381.082801	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"359179"	395.098451	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1505096"	227.056151	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"970450"	235.022451	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"117897"	203.011702	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"555272"	287.032852	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1031725"	118.990552	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1248025"	246.961185	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1311568"	249.017172	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1327969"	270.999129	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"916839"	281.027886	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1295733"	317.004564	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1374989"	133.029624	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1392490"	151.0396	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"294367"	337.091876	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"686426"	505.134176	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1359857"	169.049576	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"137121"	169.049576	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"576320"	253.070726	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1046581"	85.028426	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"214479"	113.035476	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"655134"	169.049576	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1175084"	57.021376	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"434345"	354.118423	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"794248"	522.160723	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1690579"	186.076123	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"341045"	177.5628495	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"732373"	261.5839995	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1485098"	93.5416995	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"400498"	359.073818	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"762587"	527.116118	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1615055"	191.031518	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"323999"	180.040547	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"718607"	264.061697	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1471334"	96.019397	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1060206"	64.34869	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1266256"	201.075786	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"383737"	375.047758	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"743639"	543.090058	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1553356"	207.005458	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"311260"	188.027517	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"704043"	272.048667	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1457865"	104.006367	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"244278"	378.118426	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1222460"	210.076126	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1207436"	105.541701	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"202857"	381.05576	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"642664"	549.09806	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1145193"	213.01346	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"182289"	191.031518	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"617110"	275.052668	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1123169"	107.010368	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1409973"	71.676004	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1444280"	215.055046	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"231785"	196.06454	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1522766"	229.10709	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"421726"	199.018488	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"781266"	283.039638	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1679425"	114.997338	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"266965"	400.100368	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1240729"	232.058068	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1728076"	232.081593	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1193262"	79.003318	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1663520"	237.036988	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"170017"	413.00364	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"611401"	581.04594	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1098590"	244.96134	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"155650"	207.005458	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"596548"	291.026608	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1070116"	122.984308	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1102234"	246.975892	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1338377"	247.063507	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1006784"	251.102676	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1525516"	252.096308	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"998043"	126.054976	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1594731"	253.010928	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1425496"	283.042438	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1160155"	146.568251	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1711528"	300.068985	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1641344"	305.02438	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1573717"	320.99832	"C01161"	"34-Dihydroxyphenylacetate;34-Dihydroxyphenylacetic acid;Homoprotocatechuate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"809550"	155.0695	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M"	0
"988555"	136.05111	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-H2O-H"	-19.01839
"75704"	102.372390666667	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M-3H"	-3.021828
"511985"	154.062224	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M-3H"	-3.021828
"893796"	50.6825573333333	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-3H"	-3.021828
"5081"	154.062224	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M-2H"	-2.014552
"449016"	231.596974	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M-2H"	-2.014552
"831921"	76.527474	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-2H"	-2.014552
"90090"	309.131724	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M-H"	-1.007276
"527465"	464.201224	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M-H"	-1.007276
"909526"	154.062224	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-H"	-1.007276
"59648"	326.158271	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M-2H+NH4"	16.019271
"501154"	481.227771	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M-2H+NH4"	16.019271
"879200"	171.088771	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-2H+NH4"	16.019271
"45638"	331.113666	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M-2H+Na"	20.974666
"483376"	486.183166	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M-2H+Na"	20.974666
"857896"	176.044166	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-2H+Na"	20.974666
"1630710"	176.044166	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Na-2H"	20.974666
"109882"	172.050563	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M-H+Cl"	33.962126
"549559"	249.585313	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M-H+Cl"	33.962126
"941776"	94.515813	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-H+Cl"	33.962126
"280940"	345.108402	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+Cl"	34.969402
"671296"	500.177902	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+Cl"	34.969402
"1288206"	190.038902	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Cl"	34.969402
"31197"	347.087606	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M-2H+K"	36.948606
"471368"	502.157106	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M-2H+K"	36.948606
"847267"	192.018106	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-2H+K"	36.948606
"1561642"	192.018106	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+K-2H"	36.948606
"946244"	200.067694	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-H+HCOOH"	44.998194
"370657"	355.137201	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+HCOOH-H"	44.998201
"358560"	369.152851	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+Hac-H"	59.013851
"1505570"	214.083351	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Hac-H"	59.013851
"969830"	222.049651	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-H+NaCOOH"	66.980151
"121287"	190.038902	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+2Cl"	69.938804
"556475"	267.573652	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+2Cl"	69.938804
"1031835"	112.504152	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2Cl"	69.938804
"1248136"	233.988385	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Br"	78.918885
"1310583"	236.044372	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Cl+HCOOH"	80.974872
"1328077"	258.026329	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Cl+NaCOOH"	102.956829
"916947"	268.055086	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M-H+CF3COOH"	112.985586
"1291468"	304.031764	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Cl+CF3COOH"	148.962264
"1378379"	120.056824	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H-2H2O"	-35.012676
"1390413"	138.0668	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H-H2O"	-17.0027
"289005"	311.146276	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+H"	1.007276
"683619"	466.215776	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+H"	1.007276
"1359967"	156.076776	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H"	1.007276
"133950"	156.076776	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+2H"	2.014552
"577523"	233.611526	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+2H"	2.014552
"1049969"	78.542026	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2H"	2.014552
"214589"	104.386942666667	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+3H"	3.021828
"655243"	156.076776	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+3H"	3.021828
"1177259"	52.6971093333333	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+3H"	3.021828
"437734"	328.172823	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+NH4"	18.033823
"794357"	483.242323	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+NH4"	18.033823
"1690688"	173.103323	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+NH4"	18.033823
"342248"	164.5900495	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+H+NH4"	19.041099
"731388"	242.1247995	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+H+NH4"	19.041099
"1485209"	87.0552995	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H+NH4"	19.041099
"400608"	333.128218	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+Na"	22.989218
"763788"	488.197718	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+Na"	22.989218
"1615167"	178.058718	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Na"	22.989218
"324110"	167.067747	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+H+Na"	23.996494
"716531"	244.602497	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+H+Na"	23.996494
"1470351"	89.532997	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H+Na"	23.996494
"1064688"	60.0244233333333	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2H+Na"	25.00377
"1265272"	188.102986	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+CH3OH+H"	33.033486
"383847"	349.102158	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+K"	38.963158
"742656"	504.171658	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+K"	38.963158
"1552371"	194.032658	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+K"	38.963158
"313192"	175.054717	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+H+K"	39.970434
"704154"	252.589467	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+H+K"	39.970434
"1459433"	97.519967	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H+K"	39.970434
"244388"	352.172826	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+ACN+H"	42.033826
"1224270"	197.103326	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+ACN+H"	42.033826
"1207910"	99.055301	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+ACN+2H"	43.041102
"203577"	355.11016	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+2Na-H"	44.97116
"643018"	510.17966	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+2Na-H"	44.97116
"1142386"	200.04066	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2Na-H"	44.97116
"180213"	178.058718	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+2Na"	45.978436
"620498"	255.593468	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+2Na"	45.978436
"1123279"	100.523968	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2Na"	45.978436
"1410083"	67.3517373333333	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H+2Na"	46.985712
"1444634"	202.082246	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H+HCOOH"	47.012746
"229708"	183.09174	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+3H2O+2H"	56.04448
"1522999"	216.13429	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+IsoProp+H"	61.06479
"423540"	186.045688	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+Na+K"	61.952376
"784665"	263.580438	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+Na+K"	61.952376
"1679171"	108.510938	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Na+K"	61.952376
"266307"	374.154768	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+ACN+Na"	64.015768
"1240352"	219.085268	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+ACN+Na"	64.015768
"1728224"	219.108793	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+NH4+HCOOH"	64.039293
"1193128"	74.6790513333333	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+3Na"	68.967654
"1663263"	224.064188	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Na+HCOOH"	68.994688
"170126"	387.05804	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+2K-H"	76.91904
"608961"	542.12754	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+2K-H"	76.91904
"1098210"	231.98854	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2K-H"	76.91904
"153202"	194.032658	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"2M+2K"	77.926316
"594226"	271.567408	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"3M+2K"	77.926316
"1073264"	116.497908	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2K"	77.926316
"1103195"	234.003092	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2K+H"	78.933592
"1338487"	234.090707	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+DMSO+H"	79.021207
"1009204"	238.129876	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2ACN+H"	83.060376
"1528422"	239.123508	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+IsoProp+Na+H"	84.054008
"998153"	119.568576	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+2ACN+2H"	84.067652
"1594842"	240.038128	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+K+HCOOH"	84.968628
"1425606"	270.069638	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+H+CF3COOH"	115.000138
"1160629"	140.081851	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+3ACN+2H"	125.094202
"1712002"	287.096185	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+NH4+CF3COOH"	132.026685
"1645827"	292.05158	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+Na+CF3COOH"	136.98208
"1573097"	308.02552	"C01162"	"3-(Pyrazol-1-yl)-L-alanine;beta-Pyrazol-1-ylalanine"	"C6H9N3O2"	"155.0695"	"M+K+CF3COOH"	152.95602
"803098"	186.0164	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M"	0
"986479"	166.99801	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"72534"	123.003657333333	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"512095"	185.009124	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"894270"	60.9981906666667	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"1911"	185.009124	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"449126"	278.017324	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"831991"	92.000924	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"90200"	371.025524	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"532678"	557.041924	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"905384"	185.009124	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"59758"	388.052071	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"497132"	574.068471	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"877849"	202.035671	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"39552"	393.007466	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"483486"	579.023866	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"853632"	206.991066	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1627540"	206.991066	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"109175"	202.997463	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"549674"	296.005663	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"942373"	109.989263	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"281538"	407.002202	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"674568"	593.018602	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1288114"	220.985802	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"31282"	408.981406	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"469210"	594.997806	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"848106"	222.965006	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1562845"	222.965006	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"949634"	231.014594	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"370038"	417.031001	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"357940"	431.046651	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1503855"	245.030251	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"971033"	252.996551	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"119210"	220.985802	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"555492"	313.994002	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1031945"	127.977602	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1248246"	264.935285	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1313973"	266.991272	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1328187"	288.973229	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"917057"	299.001986	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1292671"	334.978664	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1377396"	151.003724	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1390523"	169.0137	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"289115"	373.040076	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"679355"	559.056476	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1352787"	187.023676	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"130049"	187.023676	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"577631"	280.031876	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1046797"	94.015476	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"214697"	125.018209333333	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"654259"	187.023676	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1173116"	63.0127426666667	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"435657"	390.066623	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"791187"	576.083023	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1685696"	204.050223	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"334337"	195.5369495	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"725663"	288.5451495	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1482038"	102.5287495	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"399625"	395.022018	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"764994"	581.038418	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1615277"	209.005618	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"325313"	198.014647	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"716641"	291.022847	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1470460"	105.006447	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1066986"	70.3400566666667	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1263194"	219.049886	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"381771"	410.995958	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"743859"	597.012358	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1543724"	224.979558	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"308557"	206.001617	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"704264"	299.009817	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1458083"	112.993417	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"246684"	414.066626	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1223408"	228.050226	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1208871"	114.528751	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"203199"	417.00396	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"643002"	603.02036	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1139216"	230.98756	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"179229"	209.005618	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"619880"	302.013818	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1123389"	115.997418	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1410193"	77.6673706666667	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1441218"	233.029146	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"225445"	214.03864	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1522622"	247.08119	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"424180"	216.992588	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"784409"	310.000788	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1680737"	123.984388	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"265683"	436.048568	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1240580"	250.032168	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1727394"	250.055693	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1192018"	84.9946846666667	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1660818"	255.011088	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"171692"	448.95184	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"610893"	634.96824	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1098320"	262.93544	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"155136"	224.979558	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"592151"	317.987758	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1074467"	131.971358	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1103305"	264.949992	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1337624"	265.037607	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1009314"	269.076776	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1526468"	270.070408	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"996073"	135.042026	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1596044"	270.985028	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1424985"	301.016538	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1161469"	155.555301	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1711383"	318.043085	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1643751"	322.99848	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1573207"	338.97242	"C01163"	"3-Carboxy-ciscis-muconate;beta-Carboxy-ciscis-muconate;ciscis-Butadiene-124-tricarboxylate"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"802236"	384.3392	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M"	0
"986589"	365.32081	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"77019"	255.218857333333	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"516579"	383.331924	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"893287"	127.105790666667	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"2021"	383.331924	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"449236"	575.501524	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"830564"	191.162324	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"93230"	767.671124	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"532182"	1152.010324	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"902214"	383.331924	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"58775"	784.697671	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"493962"	1169.036871	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"877231"	400.358471	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"45253"	789.653066	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"485785"	1173.992266	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"861033"	405.313866	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1627650"	405.313866	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"106370"	401.320263	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"548485"	593.489863	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"936162"	209.150663	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"279826"	803.647802	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"672491"	1187.987002	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1287455"	419.308602	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"31320"	805.627006	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"470051"	1189.966206	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"847491"	421.287806	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1562955"	421.287806	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"948651"	429.337394	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"370148"	813.676601	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"355137"	827.692251	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1503965"	443.353051	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"969687"	451.319351	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"119320"	419.308602	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"557788"	611.478202	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1024400"	227.139002	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1248356"	463.258085	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1314082"	465.314072	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1328297"	487.296029	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"914981"	497.324786	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1290959"	533.301464	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1378599"	349.326524	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1390633"	367.3365	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"292505"	769.685676	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"681651"	1154.024876	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1353990"	385.346476	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H"	1.007276
"129065"	385.346476	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"574825"	577.516076	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1044717"	193.176876	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"213714"	257.233409333333	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"652183"	385.346476	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1173955"	129.120342666667	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"435403"	786.712223	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"790203"	1171.051423	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1683253"	402.373023	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"332989"	393.8597495	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"725409"	586.0293495	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1482148"	201.6901495	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"399735"	791.667618	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"766197"	1176.006818	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1613201"	407.328418	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"325423"	396.337447	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"717481"	588.507047	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1471663"	204.167847	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1064909"	136.447656666667	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1263305"	417.372686	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"384068"	807.641558	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"746156"	1191.980758	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1546021"	423.302358	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K"	38.963158
"308667"	404.324417	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"703281"	596.494017	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1458193"	212.154817	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"245701"	810.712226	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1223397"	426.373026	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1207644"	213.690151	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"200999"	813.64956	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"641898"	1197.98876	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1138233"	429.31036	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"178607"	407.328418	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"618897"	599.498018	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1123499"	215.158818	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1410303"	143.774970666667	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1441328"	431.351946	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"225555"	412.36144	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1521273"	445.40399	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"423518"	415.315388	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"784158"	607.484988	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1680120"	223.145788	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"265915"	832.694168	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1240323"	448.354968	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1726776"	448.378493	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1192494"	151.102284666667	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1663479"	453.333888	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"171069"	845.59744	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"608087"	1229.93664	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1098796"	461.25824	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"153423"	423.302358	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"591164"	615.471958	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1071662"	231.132758	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1102321"	463.272792	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1336762"	463.360407	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1008331"	467.399576	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1526457"	468.393208	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"991810"	234.203426	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1591782"	469.307828	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1426190"	499.339338	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1159757"	254.716701	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1710400"	516.365885	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1643861"	521.32128	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1573318"	537.29522	"C01164"	"7-Dehydrocholesterol;Provitamin D3;Cholesta-57-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"806599"	131.0582	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M"	0
"986699"	112.03981	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"71661"	86.3648573333333	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"516689"	130.050924	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"893397"	42.6787906666667	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"2131"	130.050924	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"449346"	195.580024	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"832131"	64.521824	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"94075"	261.109124	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"532169"	392.167324	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"905604"	130.050924	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"61197"	278.135671	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"494072"	409.193871	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"878194"	147.077471	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"43053"	283.091066	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"483706"	414.149266	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"858227"	152.032866	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1627760"	152.032866	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"108183"	148.039263	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"548473"	213.568363	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"936272"	82.510163	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"281273"	297.085802	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"671629"	428.144002	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1286713"	166.027602	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"27683"	299.065006	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"469431"	430.123206	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"846872"	168.006806	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1558691"	168.006806	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"948761"	176.056394	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"368071"	307.114601	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"359619"	321.130251	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1506988"	190.072051	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"973076"	198.038351	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"119430"	166.027602	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"556805"	231.556702	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1023417"	100.498502	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1251746"	209.977085	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1312006"	212.033072	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1327314"	234.015029	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"916184"	244.043786	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1290705"	280.020464	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1377616"	96.045524	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1390743"	114.0555	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"292615"	263.123676	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"682854"	394.181876	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1353007"	132.065476	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"129175"	132.065476	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"574935"	197.594576	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1044827"	66.536376	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"213822"	88.3794093333333	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"653386"	132.065476	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1174065"	44.6933426666667	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"435877"	280.150223	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"790314"	411.208423	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1684457"	149.092023	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"332369"	140.5787495	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"726248"	206.1078495	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1483353"	75.0496495	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"400940"	285.105618	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"767401"	416.163818	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1614404"	154.047418	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"325534"	143.056447	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"716863"	208.585547	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1473960"	77.527347	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1067084"	52.0206566666667	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1265602"	164.091686	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"385271"	301.079558	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"746266"	432.137758	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1546130"	170.021358	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"306591"	151.043417	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"702298"	216.572517	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1458303"	85.514317	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"246904"	304.150226	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1223264"	173.092026	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1206053"	87.049651	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"199651"	307.08756	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"642373"	438.14576	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1140530"	176.02936	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"177989"	154.047418	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"617184"	219.576518	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1123609"	88.518318	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1409320"	59.3479706666667	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1441438"	178.070946	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"224572"	159.08044	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1515912"	192.12299	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"421069"	162.034388	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"785353"	227.563488	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1679866"	96.505288	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"266025"	326.132168	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1240187"	195.073968	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1725792"	195.097493	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1192602"	66.6752846666667	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1664316"	200.052888	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"172150"	339.03544	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"610019"	470.09364	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1097813"	207.97724	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"153897"	170.021358	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"594555"	235.550458	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1070681"	104.492258	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1104620"	209.991792	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1336629"	210.079407	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1008441"	214.118576	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1525473"	215.112208	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"993013"	107.562926	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1592983"	216.026828	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1423019"	246.058338	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1158774"	128.076201	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1710511"	263.084885	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1643971"	268.04028	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1572334"	284.01422	"C01165"	"L-Glutamate 5-semialdehyde;L-Glutamate gamma-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"803431"	324.0359	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M"	0
"986805"	305.01751	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H2O-H"	-19.01839
"78051"	215.016657333333	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-3H"	-3.021828
"515704"	323.028624	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-3H"	-3.021828
"885849"	107.004690666667	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-3H"	-3.021828
"10986"	323.028624	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H"	-2.014552
"454193"	485.046574	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H"	-2.014552
"832752"	161.010674	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H"	-2.014552
"86163"	647.064524	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-H"	-1.007276
"521713"	971.100424	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-H"	-1.007276
"905715"	323.028624	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H"	-1.007276
"57902"	664.091071	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+NH4"	16.019271
"494182"	988.126971	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+NH4"	16.019271
"879034"	340.055171	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+NH4"	16.019271
"43164"	669.046466	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+Na"	20.974666
"480537"	993.082366	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+Na"	20.974666
"860529"	345.010566	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+Na"	20.974666
"1628968"	345.010566	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na-2H"	20.974666
"106589"	341.016963	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-H+Cl"	33.962126
"547980"	503.034913	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-H+Cl"	33.962126
"941733"	178.999013	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+Cl"	33.962126
"279316"	683.041202	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Cl"	34.969402
"674661"	1007.077102	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Cl"	34.969402
"1286332"	359.005302	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl"	34.969402
"29984"	685.020406	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+K"	36.948606
"466263"	1009.056306	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+K"	36.948606
"840784"	360.984506	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+K"	36.948606
"1568650"	360.984506	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K-2H"	36.948606
"955443"	369.034094	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+HCOOH"	44.998194
"369289"	693.070001	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+HCOOH-H"	44.998201
"354266"	707.085651	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Hac-H"	59.013851
"1502004"	383.049751	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Hac-H"	59.013851
"968448"	391.016051	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+NaCOOH"	66.980151
"115173"	359.005302	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Cl"	69.938804
"559104"	521.023252	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Cl"	69.938804
"1027905"	196.987352	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Cl"	69.938804
"1248577"	402.954785	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Br"	78.918885
"1315398"	405.010772	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+HCOOH"	80.974872
"1327426"	426.992729	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+NaCOOH"	102.956829
"916296"	437.021486	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+CF3COOH"	112.985586
"1291910"	472.998164	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+CF3COOH"	148.962264
"1378824"	289.023224	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H-2H2O"	-35.012676
"1387575"	307.0332	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H-H2O"	-17.0027
"288354"	649.079076	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H"	1.007276
"681869"	973.114976	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H"	1.007276
"1357123"	325.043176	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H"	1.007276
"128917"	325.043176	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2H"	2.014552
"571760"	487.061126	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2H"	2.014552
"1041662"	163.025226	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2H"	2.014552
"209563"	217.031209333333	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+3H"	3.021828
"654592"	325.043176	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+3H"	3.021828
"1165426"	109.019242666667	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3H"	3.021828
"427602"	666.105623	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+NH4"	18.033823
"790783"	990.141523	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+NH4"	18.033823
"1686754"	342.069723	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4"	18.033823
"336125"	333.5564495	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+NH4"	19.041099
"731826"	495.5743995	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+NH4"	19.041099
"1485649"	171.5384995	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+NH4"	19.041099
"403235"	671.061018	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Na"	22.989218
"763136"	995.096918	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Na"	22.989218
"1610140"	347.025118	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na"	22.989218
"325645"	336.034147	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+Na"	23.996494
"716971"	498.052097	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+Na"	23.996494
"1476744"	174.016197	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+Na"	23.996494
"1062940"	116.346556666667	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2H+Na"	25.00377
"1267903"	357.069386	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+CH3OH+H"	33.033486
"389399"	687.034958	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+K"	38.963158
"751119"	1011.070858	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+K"	38.963158
"1547341"	362.999058	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K"	38.963158
"306707"	344.021117	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+K"	39.970434
"704596"	506.039067	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+K"	39.970434
"1454041"	182.003167	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+K"	39.970434
"248478"	690.105626	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+ACN+H"	42.033826
"1220821"	366.069726	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+H"	42.033826
"1206528"	183.538501	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+2H"	43.041102
"198671"	693.04296	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Na-H"	44.97116
"637136"	1017.07886	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Na-H"	44.97116
"1137361"	369.00706	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Na-H"	44.97116
"185397"	347.025118	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Na"	45.978436
"627877"	509.043068	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Na"	45.978436
"1129436"	185.007168	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Na"	45.978436
"1413570"	123.673870666667	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+2Na"	46.985712
"1441549"	371.048646	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+HCOOH"	47.012746
"235021"	352.05814	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+3H2O+2H"	56.04448
"1523448"	385.10069	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+H"	61.06479
"422288"	355.012088	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Na+K"	61.952376
"783283"	517.030038	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Na+K"	61.952376
"1679249"	192.994138	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+K"	61.952376
"265040"	712.087568	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+ACN+Na"	64.015768
"1239570"	388.051668	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+Na"	64.015768
"1725903"	388.075193	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4+HCOOH"	64.039293
"1190162"	131.001184666667	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3Na"	68.967654
"1659697"	393.030588	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+HCOOH"	68.994688
"169840"	724.99084	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2K-H"	76.91904
"606121"	1049.02674	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2K-H"	76.91904
"1085649"	400.95494	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K-H"	76.91904
"143438"	362.999058	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2K"	77.926316
"581862"	525.017008	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2K"	77.926316
"1071520"	200.981108	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K"	77.926316
"1104730"	402.969492	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K+H"	78.933592
"1344397"	403.057107	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+DMSO+H"	79.021207
"1015110"	407.096276	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2ACN+H"	83.060376
"1527767"	408.089908	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+Na+H"	84.054008
"1000780"	204.051776	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2ACN+2H"	84.067652
"1592003"	409.004528	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K+HCOOH"	84.968628
"1426410"	439.036038	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+CF3COOH"	115.000138
"1159976"	224.565051	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3ACN+2H"	125.094202
"1710620"	456.062585	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4+CF3COOH"	132.026685
"1637524"	461.01798	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+CF3COOH"	136.98208
"1572080"	476.99192	"C01168"	"Pseudouridine 5-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K+CF3COOH"	152.95602
"802447"	307.0912	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M"	0
"985822"	288.07281	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-H2O-H"	-19.01839
"75158"	203.720190666667	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M-3H"	-3.021828
"513627"	306.083924	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M-3H"	-3.021828
"884866"	101.356457333333	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-3H"	-3.021828
"13649"	306.083924	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M-2H"	-2.014552
"451750"	459.629524	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M-2H"	-2.014552
"832396"	152.538324	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-2H"	-2.014552
"84450"	613.175124	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M-H"	-1.007276
"524739"	920.266324	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M-H"	-1.007276
"906918"	306.083924	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-H"	-1.007276
"56918"	630.201671	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M-2H+NH4"	16.019271
"494292"	937.292871	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M-2H+NH4"	16.019271
"875373"	323.110471	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-2H+NH4"	16.019271
"45219"	635.157066	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M-2H+Na"	20.974666
"480647"	942.248266	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M-2H+Na"	20.974666
"861731"	328.065866	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-2H+Na"	20.974666
"1629078"	328.065866	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Na-2H"	20.974666
"103419"	324.072263	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M-H+Cl"	33.962126
"548453"	477.617863	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M-H+Cl"	33.962126
"942656"	170.526663	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-H+Cl"	33.962126
"280520"	649.151802	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+Cl"	34.969402
"670756"	956.243002	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+Cl"	34.969402
"1285348"	342.060602	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Cl"	34.969402
"30092"	651.131006	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M-2H+K"	36.948606
"467466"	958.222206	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M-2H+K"	36.948606
"845268"	344.039806	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-2H+K"	36.948606
"1569853"	344.039806	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+K-2H"	36.948606
"955554"	352.089394	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-H+HCOOH"	44.998194
"371584"	659.180601	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+HCOOH-H"	44.998201
"355469"	673.196251	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+Hac-H"	59.013851
"1501021"	366.105051	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Hac-H"	59.013851
"967464"	374.071351	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-H+NaCOOH"	66.980151
"115283"	342.060602	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+2Cl"	69.938804
"561400"	495.606202	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+2Cl"	69.938804
"1029108"	188.515002	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2Cl"	69.938804
"1251967"	386.010085	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Br"	78.918885
"1314415"	388.066072	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Cl+HCOOH"	80.974872
"1327537"	410.048029	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Cl+NaCOOH"	102.956829
"917500"	420.076786	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M-H+CF3COOH"	112.985586
"1290928"	456.053464	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Cl+CF3COOH"	148.962264
"1380028"	272.078524	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H-2H2O"	-35.012676
"1388780"	290.0885	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H-H2O"	-17.0027
"290652"	615.189676	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+H"	1.007276
"677605"	922.280876	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+H"	1.007276
"1353589"	308.098476	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H"	1.007276
"130121"	308.098476	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+2H"	2.014552
"572965"	461.644076	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+2H"	2.014552
"1043959"	154.552876	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2H"	2.014552
"206758"	205.734742666667	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+3H"	3.021828
"651420"	308.098476	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+3H"	3.021828
"1167361"	103.371009333333	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+3H"	3.021828
"426987"	632.216223	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+NH4"	18.033823
"790531"	939.307423	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+NH4"	18.033823
"1689050"	325.125023	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+NH4"	18.033823
"337327"	316.6117495	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+H+NH4"	19.041099
"733030"	470.1573495	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+H+NH4"	19.041099
"1486852"	163.0661495	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H+NH4"	19.041099
"403345"	637.171618	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+Na"	22.989218
"763246"	944.262818	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+Na"	22.989218
"1612437"	330.080418	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Na"	22.989218
"325755"	319.089447	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+H+Na"	23.996494
"715989"	472.635047	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+H+Na"	23.996494
"1475275"	165.543847	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H+Na"	23.996494
"1060866"	110.698323333333	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2H+Na"	25.00377
"1269467"	340.124686	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+CH3OH+H"	33.033486
"386585"	653.145558	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+K"	38.963158
"747585"	960.236758	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+K"	38.963158
"1548545"	346.054358	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+K"	38.963158
"306816"	327.076417	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+H+K"	39.970434
"702519"	480.622017	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+H+K"	39.970434
"1453058"	173.530817	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H+K"	39.970434
"248952"	656.216226	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+ACN+H"	42.033826
"1219838"	349.125026	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+ACN+H"	42.033826
"1201535"	175.066151	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+ACN+2H"	43.041102
"198781"	659.15356	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+2Na-H"	44.97116
"632873"	966.24476	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+2Na-H"	44.97116
"1137471"	352.06236	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2Na-H"	44.97116
"186235"	330.080418	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+2Na"	45.978436
"623609"	483.626018	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+2Na"	45.978436
"1130274"	176.534818	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2Na"	45.978436
"1413802"	118.025637333333	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H+2Na"	46.985712
"1441659"	354.103946	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H+HCOOH"	47.012746
"235496"	335.11344	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+3H2O+2H"	56.04448
"1522706"	368.15599	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+IsoProp+H"	61.06479
"423733"	338.067388	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+Na+K"	61.952376
"785093"	491.612988	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+Na+K"	61.952376
"1681021"	184.521788	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Na+K"	61.952376
"266121"	678.198168	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+ACN+Na"	64.015768
"1240411"	371.106968	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+ACN+Na"	64.015768
"1726013"	371.130493	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+NH4+HCOOH"	64.039293
"1190636"	125.352951333333	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+3Na"	68.967654
"1660903"	376.085888	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Na+HCOOH"	68.994688
"169952"	691.10144	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+2K-H"	76.91904
"608418"	998.19264	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+2K-H"	76.91904
"1085638"	384.01024	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2K-H"	76.91904
"143183"	346.054358	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"2M+2K"	77.926316
"582257"	499.599958	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"3M+2K"	77.926316
"1072723"	192.508758	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2K"	77.926316
"1104840"	386.024792	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2K+H"	78.933592
"1345600"	386.112407	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+DMSO+H"	79.021207
"1013035"	390.151576	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2ACN+H"	83.060376
"1530065"	391.145208	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+IsoProp+Na+H"	84.054008
"1003077"	195.579426	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+2ACN+2H"	84.067652
"1594300"	392.059828	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+K+HCOOH"	84.968628
"1428707"	422.091338	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+H+CF3COOH"	115.000138
"1161179"	216.092701	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+3ACN+2H"	125.094202
"1710729"	439.117885	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+NH4+CF3COOH"	132.026685
"1637634"	444.07328	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+Na+CF3COOH"	136.98208
"1571704"	460.04722	"C01169"	"S-Succinyldihydrolipoamide"	"C12H21NO4S2"	"307.0912"	"M+K+CF3COOH"	152.95602
"810212"	607.0816	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M"	0
"989841"	588.06321	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-H2O-H"	-19.01839
"75268"	403.713790666667	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M-3H"	-3.021828
"517750"	606.074324	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M-3H"	-3.021828
"895429"	201.353257333333	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-3H"	-3.021828
"15438"	606.074324	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H"	-2.014552
"455621"	909.615124	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H"	-2.014552
"832668"	302.533524	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H"	-2.014552
"83103"	1213.155924	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M-H"	-1.007276
"524849"	1820.237524	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M-H"	-1.007276
"900101"	606.074324	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-H"	-1.007276
"52654"	1230.182471	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+NH4"	16.019271
"494402"	1837.264071	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+NH4"	16.019271
"878644"	623.100871	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+NH4"	16.019271
"43384"	1235.137866	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+Na"	20.974666
"474560"	1842.219466	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+Na"	20.974666
"858558"	628.056266	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+Na"	20.974666
"1630282"	628.056266	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na-2H"	20.974666
"108635"	624.062663	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M-H+Cl"	33.962126
"549253"	927.603463	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M-H+Cl"	33.962126
"942323"	320.521863	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+Cl"	33.962126
"282787"	1249.132602	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Cl"	34.969402
"675651"	1856.214202	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Cl"	34.969402
"1287893"	642.051002	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl"	34.969402
"30328"	1251.111806	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M-2H+K"	36.948606
"465390"	1858.193406	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M-2H+K"	36.948606
"846471"	644.030206	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-2H+K"	36.948606
"1568872"	644.030206	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+K-2H"	36.948606
"956395"	652.079794	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+HCOOH"	44.998194
"371696"	1259.161401	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+HCOOH-H"	44.998201
"357766"	1273.177051	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Hac-H"	59.013851
"1501129"	666.095451	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Hac-H"	59.013851
"968667"	674.061751	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+NaCOOH"	66.980151
"118673"	642.051002	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Cl"	69.938804
"556043"	945.591802	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Cl"	69.938804
"1030312"	338.510202	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Cl"	69.938804
"1250983"	686.000485	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Br"	78.918885
"1316713"	688.056472	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+HCOOH"	80.974872
"1328740"	710.038429	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+NaCOOH"	102.956829
"916517"	720.067186	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M-H+CF3COOH"	112.985586
"1292131"	756.043864	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Cl+CF3COOH"	148.962264
"1382448"	572.068924	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H-2H2O"	-35.012676
"1393263"	590.0789	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H-H2O"	-17.0027
"288575"	1215.170476	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H"	1.007276
"679535"	1822.252076	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H"	1.007276
"1354427"	608.088876	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H"	1.007276
"131322"	608.088876	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2H"	2.014552
"574167"	911.629676	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2H"	2.014552
"1047350"	304.548076	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2H"	2.014552
"213064"	405.728342666667	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+3H"	3.021828
"654811"	608.088876	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+3H"	3.021828
"1170751"	203.367809333333	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+3H"	3.021828
"431835"	1232.197023	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+NH4"	18.033823
"789550"	1839.278623	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+NH4"	18.033823
"1688064"	625.115423	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4"	18.033823
"338529"	616.6021495	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+NH4"	19.041099
"734234"	920.1429495	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+NH4"	19.041099
"1489151"	313.0613495	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+NH4"	19.041099
"403456"	1237.152418	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Na"	22.989218
"764449"	1844.234018	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Na"	22.989218
"1608177"	630.070818	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na"	22.989218
"325866"	619.079847	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+Na"	23.996494
"719379"	922.620647	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+Na"	23.996494
"1476113"	315.539047	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+Na"	23.996494
"1064984"	210.695123333333	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2H+Na"	25.00377
"1267391"	640.115086	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+CH3OH+H"	33.033486
"388885"	1253.126358	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+K"	38.963158
"752922"	1860.207958	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+K"	38.963158
"1551571"	646.044758	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+K"	38.963158
"314016"	627.066817	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+H+K"	39.970434
"705181"	930.607617	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+H+K"	39.970434
"1457544"	323.526017	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+K"	39.970434
"248333"	1256.197026	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+ACN+H"	42.033826
"1221771"	649.115426	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+H"	42.033826
"1201645"	325.061351	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+2H"	43.041102
"198891"	1259.13436	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Na-H"	44.97116
"633347"	1866.21596	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Na-H"	44.97116
"1135759"	652.05276	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Na-H"	44.97116
"188375"	630.070818	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2Na"	45.978436
"628299"	933.611618	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2Na"	45.978436
"1130505"	326.530018	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2Na"	45.978436
"1413994"	218.022437333333	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+2Na"	46.985712
"1441769"	654.094346	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+HCOOH"	47.012746
"235451"	635.10384	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+3H2O+2H"	56.04448
"1523796"	668.14639	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+IsoProp+H"	61.06479
"424084"	638.057788	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+Na+K"	61.952376
"785082"	941.598588	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+Na+K"	61.952376
"1681050"	334.516988	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+K"	61.952376
"266234"	1278.178968	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+ACN+Na"	64.015768
"1241128"	671.097368	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+ACN+Na"	64.015768
"1727338"	671.120893	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4+HCOOH"	64.039293
"1190746"	225.349751333333	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+3Na"	68.967654
"1664294"	676.076288	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+HCOOH"	68.994688
"172012"	1291.08224	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2K-H"	76.91904
"612056"	1898.16384	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2K-H"	76.91904
"1090853"	684.00064	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K-H"	76.91904
"147667"	646.044758	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"2M+2K"	77.926316
"587227"	949.585558	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"3M+2K"	77.926316
"1075021"	342.503958	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K"	77.926316
"1104950"	686.015192	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2K+H"	78.933592
"1347774"	686.102807	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+DMSO+H"	79.021207
"1016426"	690.141976	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2ACN+H"	83.060376
"1532363"	691.135608	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+IsoProp+Na+H"	84.054008
"1003187"	345.574626	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+2ACN+2H"	84.067652
"1593317"	692.050228	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+K+HCOOH"	84.968628
"1427724"	722.081738	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+H+CF3COOH"	115.000138
"1161293"	366.087901	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+3ACN+2H"	125.094202
"1709749"	739.108285	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+NH4+CF3COOH"	132.026685
"1637012"	744.06368	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+Na+CF3COOH"	136.98208
"1572300"	760.03762	"C01170"	"UDP-N-acetyl-D-mannosamine;UDP-N-acetyl-alpha-D-mannosamine"	"C17H27N3O17P2"	"607.0816"	"M+K+CF3COOH"	152.95602
"801376"	260.0297	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"986042"	241.01131	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"73191"	172.345857333333	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"512753"	259.022424	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"890555"	85.6692906666667	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"8036"	259.022424	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"451607"	389.037274	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"832454"	129.007574	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"86493"	519.052124	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"524959"	779.081824	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"901670"	259.022424	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"51669"	536.078671	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"493419"	796.108371	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"873406"	276.048971	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"39121"	541.034066	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"473576"	801.063766	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"852108"	281.004366	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1628206"	281.004366	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"107652"	277.010763	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"548673"	407.025613	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"942556"	146.995913	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"282643"	555.028802	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"675359"	815.058502	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1287753"	294.999102	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"30313"	557.008006	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"469873"	817.037706	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"842206"	296.978306	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1570071"	296.978306	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"956501"	305.027894	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"367431"	565.057601	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"352407"	579.073251	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1499413"	319.043551	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"968775"	327.009851	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"114405"	294.999102	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"554330"	425.013952	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1027138"	164.984252	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1246718"	338.948585	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1305884"	341.004572	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1321194"	362.986529	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"918813"	373.015286	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1290175"	408.991964	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1380246"	225.017024	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1397626"	243.027	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"288685"	521.066676	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"677823"	781.096376	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1353444"	261.036976	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"128518"	261.036976	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"574277"	391.051826	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1041996"	131.022126	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"208803"	174.360409333333	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"652735"	261.036976	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1166488"	87.6838426666667	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"426478"	538.093223	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"789660"	798.122923	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1687083"	278.063523	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"336454"	269.5502495	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"733980"	399.5650995	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1488163"	139.5353995	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"400286"	543.048618	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"761280"	803.078318	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1609380"	283.018918	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"321604"	272.027947	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"716210"	402.042797	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1474402"	142.013097	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1065458"	95.0111566666667	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1268229"	293.063186	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"388993"	559.022558	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"751086"	819.052258	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1548765"	298.992858	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"305941"	280.014917	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"701643"	410.029767	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1453280"	150.000067	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"242972"	562.093226	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1215682"	302.063526	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1200662"	151.535401	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"199001"	565.03056	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"634551"	825.06026	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1134776"	305.00086	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"188501"	283.018918	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"628286"	413.033768	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1127334"	153.004068	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1413372"	102.338470666667	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1441879"	307.042446	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"235470"	288.05194	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1524105"	321.09449	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"423952"	291.005888	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"783974"	421.020738	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1677754"	160.991038	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"266584"	584.075168	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1238804"	324.045468	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1724771"	324.068993	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1190855"	109.665784666667	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1665345"	329.024388	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"172833"	596.97844	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"612776"	857.00814	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1093150"	336.94874	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"148871"	298.992858	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"587337"	429.007708	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1077319"	168.978008	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1106154"	338.963292	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1349100"	339.050907	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1014351"	343.090076	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1534659"	344.083708	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1002204"	172.048676	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1596706"	344.998328	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1428563"	375.029838	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1161038"	192.561951	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1711924"	392.056385	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1636758"	397.01178	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1573138"	412.98572	"C01171"	"alpha-D-Hexose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"801804"	260.0297	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"986152"	241.01131	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"73301"	172.345857333333	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"512863"	259.022424	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"890665"	85.6692906666667	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"10332"	259.022424	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"452446"	389.037274	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"832566"	129.007574	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"87697"	519.052124	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"523976"	779.081824	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"901780"	259.022424	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"50686"	536.078671	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"492436"	796.108371	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"872423"	276.048971	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"38138"	541.034066	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"474780"	801.063766	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"853675"	281.004366	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1629410"	281.004366	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"107032"	277.010763	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"546597"	407.025613	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"940841"	146.995913	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"281343"	555.028802	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"674974"	815.058502	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1286284"	294.999102	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"28236"	557.008006	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"464515"	817.037706	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"836849"	296.978306	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1569451"	296.978306	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"956610"	305.027894	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"365719"	565.057601	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"355798"	579.073251	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1498065"	319.043551	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"966699"	327.009851	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"115608"	294.999102	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"558450"	425.013952	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1025061"	164.984252	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1246828"	338.948585	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1305994"	341.004572	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1321304"	362.986529	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"912363"	373.015286	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1290163"	408.991964	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1377076"	225.017024	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1396761"	243.027	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"292075"	521.066676	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"677205"	781.096376	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1351730"	261.036976	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"125830"	261.036976	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"574387"	391.051826	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1038444"	131.022126	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"216563"	174.360409333333	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"656124"	261.036976	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1168785"	87.6838426666667	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"424442"	538.093223	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"789770"	798.122923	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1687194"	278.063523	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"336565"	269.5502495	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"734453"	399.5650995	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1487181"	139.5353995	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"402581"	543.048618	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"761393"	803.078318	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1611677"	283.018918	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"326085"	272.027947	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"717413"	402.042797	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1474510"	142.013097	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1065568"	95.0111566666667	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1266153"	293.063186	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"389103"	559.022558	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"751925"	819.052258	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1552155"	298.992858	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"306415"	280.014917	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"703939"	410.029767	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1457399"	150.000067	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"243082"	562.093226	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1216885"	302.063526	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1201865"	151.535401	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"199111"	565.03056	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"636483"	825.06026	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1138896"	305.00086	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"186200"	283.018918	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"625033"	413.033768	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1128906"	153.004068	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1412431"	102.338470666667	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1440897"	307.042446	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"234607"	288.05194	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1523961"	321.09449	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"423454"	291.005888	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"782990"	421.020738	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1675313"	160.991038	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"265114"	584.075168	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1238550"	324.045468	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1725611"	324.068993	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1189508"	109.665784666667	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1665362"	329.024388	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"172721"	596.97844	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"612398"	857.00814	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1099791"	336.94874	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"148983"	298.992858	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"585261"	429.007708	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1078521"	168.978008	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1107357"	338.963292	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1351038"	339.050907	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1017741"	343.090076	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1536956"	344.083708	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1002314"	172.048676	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1597910"	344.998328	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1428673"	375.029838	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1162241"	192.561951	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1712156"	392.056385	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1635775"	397.01178	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1572156"	412.98572	"C01172"	"beta-D-Glucose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"802158"	176.0473	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M"	0
"986262"	157.02891	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-H2O-H"	-19.01839
"73411"	116.357590666667	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M-3H"	-3.021828
"512973"	175.040024	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M-3H"	-3.021828
"890775"	57.6751573333333	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-3H"	-3.021828
"12630"	175.040024	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M-2H"	-2.014552
"450004"	263.063674	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M-2H"	-2.014552
"831826"	87.016374	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-2H"	-2.014552
"84526"	351.087324	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M-H"	-1.007276
"524449"	527.134624	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M-H"	-1.007276
"899336"	175.040024	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-H"	-1.007276
"51525"	368.113871	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M-2H+NH4"	16.019271
"493639"	544.161171	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M-2H+NH4"	16.019271
"871440"	192.066571	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-2H+NH4"	16.019271
"37883"	373.069266	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M-2H+Na"	20.974666
"475619"	549.116566	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M-2H+Na"	20.974666
"853785"	197.021966	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-2H+Na"	20.974666
"1627331"	197.021966	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Na-2H"	20.974666
"106049"	193.028363	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M-H+Cl"	33.962126
"547436"	281.052013	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M-H+Cl"	33.962126
"941681"	105.004713	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-H+Cl"	33.962126
"279503"	387.064002	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+Cl"	34.969402
"671194"	563.111302	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+Cl"	34.969402
"1286759"	211.016702	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Cl"	34.969402
"28346"	389.043206	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M-2H+K"	36.948606
"466812"	565.090506	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M-2H+K"	36.948606
"839146"	212.995906	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-2H+K"	36.948606
"1565916"	212.995906	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+K-2H"	36.948606
"953441"	221.045494	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-H+HCOOH"	44.998194
"369837"	397.092801	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+HCOOH-H"	44.998201
"353720"	411.108451	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+Hac-H"	59.013851
"1496716"	235.061151	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Hac-H"	59.013851
"962070"	243.027451	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-H+NaCOOH"	66.980151
"112439"	211.016702	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+2Cl"	69.938804
"556374"	299.040352	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+2Cl"	69.938804
"1025171"	122.993052	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2Cl"	69.938804
"1246209"	254.966185	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Br"	78.918885
"1305617"	257.022172	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Cl+HCOOH"	80.974872
"1320153"	279.004129	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Cl+NaCOOH"	102.956829
"915753"	289.032886	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M-H+CF3COOH"	112.985586
"1289135"	325.009564	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Cl+CF3COOH"	148.962264
"1379374"	141.034624	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H-2H2O"	-35.012676
"1393228"	159.0446	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H-H2O"	-17.0027
"291088"	353.101876	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+H"	1.007276
"675891"	529.149176	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+H"	1.007276
"1351838"	177.054576	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H"	1.007276
"125979"	177.054576	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+2H"	2.014552
"571217"	265.078226	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+2H"	2.014552
"1038553"	89.030926	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2H"	2.014552
"215580"	118.372142666667	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+3H"	3.021828
"657327"	177.054576	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+3H"	3.021828
"1169989"	59.6897093333333	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+3H"	3.021828
"429980"	370.128423	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+NH4"	18.033823
"789880"	546.175723	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+NH4"	18.033823
"1693864"	194.081123	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+NH4"	18.033823
"343236"	185.5678495	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+H+NH4"	19.041099
"734564"	273.5914995	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+H+NH4"	19.041099
"1488386"	97.5441995	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H+NH4"	19.041099
"403787"	375.083818	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+Na"	22.989218
"762596"	551.131118	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+Na"	22.989218
"1613973"	199.036518	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Na"	22.989218
"325831"	188.045547	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+H+Na"	23.996494
"717159"	276.069197	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+H+Na"	23.996494
"1473894"	100.021897	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H+Na"	23.996494
"1065682"	67.0170233333333	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2H+Na"	25.00377
"1267356"	209.080786	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+CH3OH+H"	33.033486
"388120"	391.057758	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+K"	38.963158
"752035"	567.105058	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+K"	38.963158
"1551539"	215.010458	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+K"	38.963158
"307254"	196.032517	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+H+K"	39.970434
"703321"	284.056167	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+H+K"	39.970434
"1456416"	108.008867	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H+K"	39.970434
"244286"	394.128426	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+ACN+H"	42.033826
"1218089"	218.081126	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+ACN+H"	42.033826
"1205255"	109.544201	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+ACN+2H"	43.041102
"199218"	397.06576	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+2Na-H"	44.97116
"636593"	573.11306	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+2Na-H"	44.97116
"1139006"	221.01846	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2Na-H"	44.97116
"183394"	199.036518	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+2Na"	45.978436
"624048"	287.060168	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+2Na"	45.978436
"1127923"	111.012868	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2Na"	45.978436
"1412177"	74.3443373333333	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H+2Na"	46.985712
"1441007"	223.060046	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H+HCOOH"	47.012746
"234353"	204.06954	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+3H2O+2H"	56.04448
"1522413"	237.11209	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+IsoProp+H"	61.06479
"420282"	207.023488	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+Na+K"	61.952376
"780185"	295.047138	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+Na+K"	61.952376
"1676517"	118.999838	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Na+K"	61.952376
"265589"	416.110368	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+ACN+Na"	64.015768
"1237567"	240.063068	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+ACN+Na"	64.015768
"1725357"	240.086593	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+NH4+HCOOH"	64.039293
"1188524"	81.6716513333333	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+3Na"	68.967654
"1664377"	245.041988	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Na+HCOOH"	68.994688
"171361"	429.01364	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+2K-H"	76.91904
"612345"	605.06094	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+2K-H"	76.91904
"1099373"	252.96634	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2K-H"	76.91904
"150188"	215.010458	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"2M+2K"	77.926316
"587557"	303.034108	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"3M+2K"	77.926316
"1077538"	126.986808	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2K"	77.926316
"1106374"	254.980892	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2K+H"	78.933592
"1350989"	255.068507	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+DMSO+H"	79.021207
"1018944"	259.107676	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2ACN+H"	83.060376
"1534880"	260.101308	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+IsoProp+Na+H"	84.054008
"1003394"	130.057476	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+2ACN+2H"	84.067652
"1599113"	261.015928	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+K+HCOOH"	84.968628
"1428783"	291.047438	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+H+CF3COOH"	115.000138
"1162229"	150.570751	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+3ACN+2H"	125.094202
"1710078"	308.073985	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+NH4+CF3COOH"	132.026685
"1636981"	313.02938	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+Na+CF3COOH"	136.98208
"1571659"	329.00332	"C01173"	"138-Naphthalenertriol;138-Trihydroxynaphthalene"	"C10H8O3"	"176.0473"	"M+K+CF3COOH"	152.95602
"807372"	386.1213	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M"	0
"989870"	367.10291	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-H2O-H"	-19.01839
"73521"	256.406924	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M-3H"	-3.021828
"518352"	385.114024	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M-3H"	-3.021828
"895580"	127.699824	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-3H"	-3.021828
"15638"	385.114024	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M-2H"	-2.014552
"455582"	578.174674	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M-2H"	-2.014552
"832663"	192.053374	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-2H"	-2.014552
"89010"	771.235324	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M-H"	-1.007276
"528569"	1157.356624	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M-H"	-1.007276
"905276"	385.114024	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-H"	-1.007276
"58561"	788.261871	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M-2H+NH4"	16.019271
"493749"	1174.383171	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M-2H+NH4"	16.019271
"871550"	402.140571	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-2H+NH4"	16.019271
"37265"	793.217266	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M-2H+Na"	20.974666
"477916"	1179.338566	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M-2H+Na"	20.974666
"857905"	407.095966	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-2H+Na"	20.974666
"1627442"	407.095966	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Na-2H"	20.974666
"106159"	403.102363	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M-H+Cl"	33.962126
"548768"	596.163013	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M-H+Cl"	33.962126
"941673"	210.041713	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-H+Cl"	33.962126
"279977"	807.212002	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+Cl"	34.969402
"674832"	1193.333302	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+Cl"	34.969402
"1287840"	421.090702	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Cl"	34.969402
"25173"	809.191206	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M-2H+K"	36.948606
"469111"	1195.312506	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M-2H+K"	36.948606
"845817"	423.069906	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-2H+K"	36.948606
"1568944"	423.069906	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+K-2H"	36.948606
"953916"	431.119494	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-H+HCOOH"	44.998194
"375049"	817.240801	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+HCOOH-H"	44.998201
"358934"	831.256451	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+Hac-H"	59.013851
"1500479"	445.135151	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Hac-H"	59.013851
"968019"	453.101451	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-H+NaCOOH"	66.980151
"119112"	421.090702	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+2Cl"	69.938804
"559767"	614.151352	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+2Cl"	69.938804
"1024555"	228.030052	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2Cl"	69.938804
"1255434"	465.040185	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Br"	78.918885
"1313872"	467.096172	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Cl+HCOOH"	80.974872
"1326994"	489.078129	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Cl+NaCOOH"	102.956829
"919144"	499.106886	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M-H+CF3COOH"	112.985586
"1299132"	535.083564	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Cl+CF3COOH"	148.962264
"1377296"	351.108624	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H-2H2O"	-35.012676
"1395524"	369.1186	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H-H2O"	-17.0027
"294481"	773.249876	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+H"	1.007276
"684720"	1159.371176	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+H"	1.007276
"1359975"	387.128576	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H"	1.007276
"135050"	387.128576	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+2H"	2.014552
"572426"	580.189226	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+2H"	2.014552
"1043409"	194.067926	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2H"	2.014552
"212409"	258.421476	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+3H"	3.021828
"657436"	387.128576	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+3H"	3.021828
"1172284"	129.714376	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+3H"	3.021828
"436649"	790.276423	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+NH4"	18.033823
"793270"	1176.397723	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+NH4"	18.033823
"1691788"	404.155123	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+NH4"	18.033823
"338973"	395.6418495	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+H+NH4"	19.041099
"736497"	588.7024995	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+H+NH4"	19.041099
"1490319"	202.5811995	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H+NH4"	19.041099
"404627"	795.231818	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+Na"	22.989218
"764893"	1181.353118	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+Na"	22.989218
"1615179"	409.110518	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Na"	22.989218
"327401"	398.119547	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+H+Na"	23.996494
"719456"	591.180197	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+H+Na"	23.996494
"1475100"	205.058897	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H+Na"	23.996494
"1066520"	137.04169	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2H+Na"	25.00377
"1268560"	419.154786	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+CH3OH+H"	33.033486
"389323"	811.205758	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+K"	38.963158
"752144"	1197.327058	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+K"	38.963158
"1552015"	425.084458	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+K"	38.963158
"313203"	406.106517	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+H+K"	39.970434
"706598"	599.167167	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+H+K"	39.970434
"1461028"	213.045867	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H+K"	39.970434
"249502"	814.276426	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+ACN+H"	42.033826
"1224764"	428.155126	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+ACN+H"	42.033826
"1207190"	214.581201	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+ACN+2H"	43.041102
"199329"	817.21376	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+2Na-H"	44.97116
"639619"	1203.33506	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+2Na-H"	44.97116
"1145314"	431.09246	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2Na-H"	44.97116
"185697"	409.110518	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+2Na"	45.978436
"623798"	602.171168	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+2Na"	45.978436
"1128396"	216.049868	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2Na"	45.978436
"1411193"	144.369004	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H+2Na"	46.985712
"1444037"	433.134046	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H+HCOOH"	47.012746
"232276"	414.14354	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+3H2O+2H"	56.04448
"1522162"	447.18609	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+IsoProp+H"	61.06479
"422215"	417.097488	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+Na+K"	61.952376
"781389"	610.158138	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+Na+K"	61.952376
"1677721"	224.036838	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Na+K"	61.952376
"263149"	836.258368	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+ACN+Na"	64.015768
"1238043"	450.137068	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+ACN+Na"	64.015768
"1724012"	450.160593	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+NH4+HCOOH"	64.039293
"1187908"	151.696318	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+3Na"	68.967654
"1662542"	455.115988	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Na+HCOOH"	68.994688
"169406"	849.16164	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+2K-H"	76.91904
"612006"	1235.28294	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+2K-H"	76.91904
"1098710"	463.04034	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2K-H"	76.91904
"149204"	425.084458	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"2M+2K"	77.926316
"585115"	618.145108	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"3M+2K"	77.926316
"1075460"	232.023808	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2K"	77.926316
"1106484"	465.054892	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2K+H"	78.933592
"1349310"	465.142507	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+DMSO+H"	79.021207
"1016867"	469.181676	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2ACN+H"	83.060376
"1534990"	470.175308	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+IsoProp+Na+H"	84.054008
"1002533"	235.094476	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+2ACN+2H"	84.067652
"1599223"	471.089928	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+K+HCOOH"	84.968628
"1428163"	501.121438	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+H+CF3COOH"	115.000138
"1162339"	255.607751	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+3ACN+2H"	125.094202
"1708001"	518.147985	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+NH4+CF3COOH"	132.026685
"1637091"	523.10338	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+Na+CF3COOH"	136.98208
"1571769"	539.07732	"C01175"	"1-O-Sinapoyl-beta-D-glucose;1-O-Sinapoyl beta-D-glucoside"	"C17H22O10"	"386.1213"	"M+K+CF3COOH"	152.95602
"801482"	330.2195	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M"	0
"987575"	311.20111	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"72538"	219.139057333333	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"511006"	329.212224	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"886620"	109.065890666667	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"8475"	329.212224	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"450223"	494.321974	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"828027"	164.102474	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"89120"	659.431724	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"527586"	989.651224	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"903200"	329.212224	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"57578"	676.458271	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"493859"	1006.677771	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"869837"	346.238771	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"39561"	681.413666	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"475839"	1011.633166	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"855828"	351.194166	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1629738"	351.194166	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"107362"	347.200563	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"549323"	512.310313	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"942553"	182.090813	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"277901"	695.408402	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"674211"	1025.627902	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1286735"	365.188902	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"28563"	697.387606	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"468128"	1027.607106	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"845927"	367.168106	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1568325"	367.168106	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"955119"	375.217694	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"375522"	705.437201	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"360382"	719.452851	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1501682"	389.233351	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"968129"	397.199651	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"117034"	365.188902	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"559877"	530.298652	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1026123"	200.079152	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1254087"	409.138385	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1313982"	411.194372	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1326011"	433.176329	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"915973"	443.205086	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1295962"	479.181764	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1377406"	295.206824	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1394540"	313.2168	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"295320"	661.446276	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"681549"	991.665776	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1357898"	331.226776	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"132973"	331.226776	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"572534"	496.336526	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1042426"	166.117026	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"212519"	221.153609333333	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"655359"	331.226776	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1165834"	111.080442666667	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"432386"	678.472823	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"791194"	1008.692323	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1688618"	348.253323	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"339083"	339.7400495	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"733693"	504.8497995	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1488243"	174.6302995	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"404005"	683.428218	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"762816"	1013.647718	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1612009"	353.208718	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"327510"	342.217747	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"719930"	507.327497	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1474479"	177.107997	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1066630"	118.407756666667	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1268670"	363.252986	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"383966"	699.402158	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"751525"	1029.621658	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1552489"	369.182658	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"310762"	350.204717	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"703547"	515.314467	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1458097"	185.094967	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"247789"	702.472826	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1220499"	372.253326	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1206570"	186.630301	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"201628"	705.41016	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"637906"	1035.62966	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1141413"	375.19066	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"186410"	353.208718	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"623906"	518.318468	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1128868"	188.098968	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1411668"	125.735070666667	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1443418"	377.232246	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"233478"	358.24174	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1521540"	391.28429	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"420494"	361.195688	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"782228"	526.305438	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1675282"	196.085938	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"261073"	724.454768	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1236331"	394.235268	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1725216"	394.258793	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1189475"	133.062384666667	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1660464"	399.214188	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"168423"	737.35804	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"611265"	1067.57754	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1098938"	407.13854	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"150408"	369.182658	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"584131"	534.292408	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1072291"	204.072908	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1107688"	409.153092	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1346260"	409.240707	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1013697"	413.279876	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1532914"	414.273508	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"1000456"	207.143576	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1597875"	415.188128	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1426086"	445.219638	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1159654"	227.656851	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1704830"	462.246185	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1636108"	467.20158	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1571631"	483.17552	"C01176"	"17alpha-Hydroxyprogesterone;17alpha-Hydroxy-4-pregnene-320-dione;Pregn-4-ene-320-dione-17-ol;17alpha-Hydroxy-progesterone"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"804311"	260.0297	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M"	0
"987685"	241.01131	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"70461"	172.345857333333	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"511116"	259.022424	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"886730"	85.6692906666667	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"8585"	259.022424	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"450333"	389.037274	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"828138"	129.007574	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"90323"	519.052124	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"528790"	779.081824	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"903310"	259.022424	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"57688"	536.078671	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"495062"	796.108371	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"869583"	276.048971	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"39671"	541.034066	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"475584"	801.063766	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"855938"	281.004366	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1626569"	281.004366	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"108444"	277.010763	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"549512"	407.025613	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"942377"	146.995913	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"280197"	555.028802	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"674200"	815.058502	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1287821"	294.999102	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"28673"	557.008006	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"467145"	817.037706	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"843850"	296.978306	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1566249"	296.978306	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"955229"	305.027894	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"375632"	565.057601	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"360491"	579.073251	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1501793"	319.043551	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"970425"	327.009851	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"121518"	294.999102	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"559988"	425.013952	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1027691"	164.984252	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1254561"	338.948585	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1314092"	341.004572	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1328307"	362.986529	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"915354"	373.015286	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1294250"	408.991964	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1376423"	225.017024	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1391735"	243.027	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"294701"	521.066676	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"680566"	781.096376	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1356915"	261.036976	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"133083"	261.036976	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"572644"	391.051826	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040349"	131.022126	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"216639"	174.360409333333	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"655469"	261.036976	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1169224"	87.6838426666667	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"435776"	538.093223	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"791304"	798.122923	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1692009"	278.063523	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"340287"	269.5502495	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"732709"	399.5650995	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1485434"	139.5353995	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"403024"	543.048618	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"762927"	803.078318	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1615396"	283.018918	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"327621"	272.027947	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"720039"	402.042797	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1473131"	142.013097	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1067105"	95.0111566666667	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1267323"	293.063186	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"385170"	559.022558	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"751635"	819.052258	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1550412"	298.992858	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"313423"	280.014917	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"706208"	410.029767	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1459300"	150.000067	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"248994"	562.093226	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1221339"	302.063526	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1206680"	151.535401	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"201372"	565.03056	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"639108"	825.06026	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1141523"	305.00086	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"184452"	283.018918	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"626204"	413.033768	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1127516"	153.004068	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1410313"	102.338470666667	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1442799"	307.042446	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"231766"	288.05194	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1520557"	321.09449	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"419876"	291.005888	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"779781"	421.020738	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1676845"	160.991038	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"262636"	584.075168	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1235347"	324.045468	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1723138"	324.068993	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1187398"	109.665784666667	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1660574"	329.024388	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"168532"	596.97844	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"611375"	857.00814	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1097954"	336.94874	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"153797"	298.992858	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"594329"	429.007708	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1073495"	168.978008	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1108893"	338.963292	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1346370"	339.050907	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1015993"	343.090076	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1533024"	344.083708	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1000566"	172.048676	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1599443"	344.998328	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1427654"	375.029838	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1160493"	192.561951	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1701660"	392.056385	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1636218"	397.01178	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1571538"	412.98572	"C01177"	"Inositol 1-phosphate;myo-Inositol 1-phosphate;1D-myo-Inositol 1-phosphate;D-myo-Inositol 1-phosphate;1D-myo-Inositol 1-monophosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
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"987795"	161.02391	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-H2O-H"	-19.01839
"70571"	119.020924	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M-3H"	-3.021828
"512319"	179.035024	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M-3H"	-3.021828
"886840"	59.006824	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-3H"	-3.021828
"8695"	179.035024	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M-2H"	-2.014552
"448256"	269.056174	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M-2H"	-2.014552
"828248"	89.013874	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-2H"	-2.014552
"89341"	359.077324	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M-H"	-1.007276
"526714"	539.119624	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M-H"	-1.007276
"903420"	179.035024	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-H"	-1.007276
"49049"	376.103871	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M-2H+NH4"	16.019271
"489700"	556.146171	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M-2H+NH4"	16.019271
"867501"	196.061571	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-2H+NH4"	16.019271
"35770"	381.059266	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M-2H+Na"	20.974666
"474598"	561.101566	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M-2H+Na"	20.974666
"856048"	201.016966	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-2H+Na"	20.974666
"1624491"	201.016966	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Na-2H"	20.974666
"109042"	197.023363	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M-H+Cl"	33.962126
"544955"	287.044513	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M-H+Cl"	33.962126
"934095"	107.002213	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-H+Cl"	33.962126
"275931"	395.054002	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+Cl"	34.969402
"662516"	575.096302	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+Cl"	34.969402
"1275286"	215.011702	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Cl"	34.969402
"22221"	397.033206	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M-2H+K"	36.948606
"462876"	577.075506	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M-2H+K"	36.948606
"843960"	216.990906	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-2H+K"	36.948606
"1567453"	216.990906	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+K-2H"	36.948606
"952058"	225.040494	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-H+HCOOH"	44.998194
"375742"	405.082801	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+HCOOH-H"	44.998201
"360481"	419.098451	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+Hac-H"	59.013851
"1504088"	239.056151	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Hac-H"	59.013851
"968348"	247.022451	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-H+NaCOOH"	66.980151
"120535"	215.011702	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+2Cl"	69.938804
"561191"	305.032852	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+2Cl"	69.938804
"1027801"	124.990552	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2Cl"	69.938804
"1249567"	258.961185	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Br"	78.918885
"1314202"	261.017172	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Cl+HCOOH"	80.974872
"1327324"	282.999129	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Cl+NaCOOH"	102.956829
"916194"	293.027886	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M-H+CF3COOH"	112.985586
"1295089"	329.004564	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Cl+CF3COOH"	148.962264
"1377263"	145.029624	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H-2H2O"	-35.012676
"1394032"	163.0396	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H-H2O"	-17.0027
"295540"	361.091876	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+H"	1.007276
"686143"	541.134176	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+H"	1.007276
"1358119"	181.049576	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H"	1.007276
"133193"	181.049576	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+2H"	2.014552
"574940"	271.070726	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+2H"	2.014552
"1041552"	91.028426	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2H"	2.014552
"215657"	121.035476	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+3H"	3.021828
"655579"	181.049576	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+3H"	3.021828
"1168241"	61.021376	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+3H"	3.021828
"433700"	378.118423	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+NH4"	18.033823
"792508"	558.160723	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+NH4"	18.033823
"1688840"	198.076123	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+NH4"	18.033823
"338211"	189.5628495	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+H+NH4"	19.041099
"729538"	279.5839995	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+H+NH4"	19.041099
"1484451"	99.5416995	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H+NH4"	19.041099
"397666"	383.073818	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+Na"	22.989218
"759754"	563.116118	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+Na"	22.989218
"1610038"	203.031518	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Na"	22.989218
"322262"	192.040547	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+H+Na"	23.996494
"716868"	282.061697	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+H+Na"	23.996494
"1470687"	102.019397	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H+Na"	23.996494
"1060653"	68.34869	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2H+Na"	25.00377
"1259049"	213.075786	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+CH3OH+H"	33.033486
"382000"	399.047758	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+K"	38.963158
"750652"	579.090058	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+K"	38.963158
"1553436"	219.005458	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+K"	38.963158
"305505"	200.027517	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+H+K"	39.970434
"703765"	290.048667	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+H+K"	39.970434
"1458318"	110.006367	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H+K"	39.970434
"250079"	402.118426	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+ACN+H"	42.033826
"1222542"	222.076126	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+ACN+H"	42.033826
"1204603"	111.541701	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+ACN+2H"	43.041102
"202212"	405.05576	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+2Na-H"	44.97116
"634845"	585.09806	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+2Na-H"	44.97116
"1138353"	225.01346	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2Na-H"	44.97116
"185412"	203.031518	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+2Na"	45.978436
"626673"	293.052668	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+2Na"	45.978436
"1127626"	113.010368	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2Na"	45.978436
"1404953"	75.676004	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H+2Na"	46.985712
"1435246"	227.055046	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H+HCOOH"	47.012746
"233335"	208.06454	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+3H2O+2H"	56.04448
"1521032"	241.10709	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+IsoProp+H"	61.06479
"420714"	211.018488	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+Na+K"	61.952376
"780620"	301.039638	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+Na+K"	61.952376
"1677679"	120.997338	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Na+K"	61.952376
"263470"	424.100368	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+ACN+Na"	64.015768
"1237643"	244.058068	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+ACN+Na"	64.015768
"1723248"	244.081593	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+NH4+HCOOH"	64.039293
"1186415"	83.003318	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+3Na"	68.967654
"1660684"	249.036988	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Na+HCOOH"	68.994688
"169735"	437.00364	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+2K-H"	76.91904
"609298"	617.04594	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+2K-H"	76.91904
"1098064"	256.96134	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2K-H"	76.91904
"155851"	219.005458	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"2M+2K"	77.926316
"593466"	309.026608	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"3M+2K"	77.926316
"1075792"	128.984308	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2K"	77.926316
"1111190"	258.975892	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2K+H"	78.933592
"1346480"	259.063507	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+DMSO+H"	79.021207
"1017196"	263.102676	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2ACN+H"	83.060376
"1533135"	264.096308	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+IsoProp+Na+H"	84.054008
"1001769"	132.054976	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+2ACN+2H"	84.067652
"1600647"	265.010928	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+K+HCOOH"	84.968628
"1428493"	295.042438	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+H+CF3COOH"	115.000138
"1160603"	152.568251	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+3ACN+2H"	125.094202
"1701770"	312.068985	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+NH4+CF3COOH"	132.026685
"1636328"	317.02438	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+Na+CF3COOH"	136.98208
"1571406"	332.99832	"C01179"	"3-(4-Hydroxyphenyl)pyruvate;4-Hydroxyphenylpyruvate;p-Hydroxyphenylpyruvic acid"	"C9H8O4"	"180.0423"	"M+K+CF3COOH"	152.95602
"801545"	148.0194	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M"	0
"987905"	129.00101	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-H2O-H"	-19.01839
"69588"	97.672324	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M-3H"	-3.021828
"511336"	147.012124	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M-3H"	-3.021828
"886950"	48.332524	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-3H"	-3.021828
"8805"	147.012124	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M-2H"	-2.014552
"447273"	221.021824	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M-2H"	-2.014552
"826171"	73.002424	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-2H"	-2.014552
"89451"	295.031524	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M-H"	-1.007276
"523544"	443.050924	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M-H"	-1.007276
"902439"	147.012124	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-H"	-1.007276
"51347"	312.058071	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M-2H+NH4"	16.019271
"489813"	460.077471	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M-2H+NH4"	16.019271
"867247"	164.038671	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-2H+NH4"	16.019271
"35516"	317.013466	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M-2H+Na"	20.974666
"474344"	465.032866	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M-2H+Na"	20.974666
"856158"	168.994066	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-2H+Na"	20.974666
"1626786"	168.994066	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Na-2H"	20.974666
"107938"	165.000463	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M-H+Cl"	33.962126
"544701"	239.010163	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M-H+Cl"	33.962126
"934205"	90.990763	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-H+Cl"	33.962126
"273854"	331.008202	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+Cl"	34.969402
"663355"	479.027602	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+Cl"	34.969402
"1276490"	182.988802	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Cl"	34.969402
"26707"	332.987406	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M-2H+K"	36.948606
"462986"	481.006806	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M-2H+K"	36.948606
"842977"	184.968006	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-2H+K"	36.948606
"1567562"	184.968006	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+K-2H"	36.948606
"952168"	193.017594	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-H+HCOOH"	44.998194
"376460"	341.037001	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+HCOOH-H"	44.998201
"359742"	355.052651	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+Hac-H"	59.013851
"1503105"	207.033251	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Hac-H"	59.013851
"969552"	214.999551	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-H+NaCOOH"	66.980151
"122832"	182.988802	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+2Cl"	69.938804
"563487"	256.998502	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+2Cl"	69.938804
"1026818"	108.979102	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2Cl"	69.938804
"1249677"	226.938285	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Br"	78.918885
"1314313"	228.994272	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Cl+HCOOH"	80.974872
"1327434"	250.976229	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Cl+NaCOOH"	102.956829
"917397"	261.004986	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M-H+CF3COOH"	112.985586
"1297386"	296.981664	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Cl+CF3COOH"	148.962264
"1378830"	113.006724	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H-2H2O"	-35.012676
"1395235"	131.0167	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H-H2O"	-17.0027
"296379"	297.046076	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+H"	1.007276
"685158"	445.065476	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+H"	1.007276
"1361509"	149.026676	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H"	1.007276
"133302"	149.026676	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+2H"	2.014552
"572862"	223.036376	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+2H"	2.014552
"1039596"	75.016976	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2H"	2.014552
"216132"	99.686876	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+3H"	3.021828
"655689"	149.026676	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+3H"	3.021828
"1168351"	50.347076	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+3H"	3.021828
"433810"	314.072623	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+NH4"	18.033823
"792618"	462.092023	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+NH4"	18.033823
"1690042"	166.053223	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+NH4"	18.033823
"339050"	157.5399495	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+H+NH4"	19.041099
"732927"	231.5496495	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+H+NH4"	19.041099
"1488570"	83.5302495	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H+NH4"	19.041099
"397776"	319.028018	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+Na"	22.989218
"757680"	467.047418	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+Na"	22.989218
"1609056"	171.008618	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Na"	22.989218
"322372"	160.017647	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+H+Na"	23.996494
"718073"	234.027347	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+H+Na"	23.996494
"1471891"	86.007947	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H+Na"	23.996494
"1060763"	57.67439	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2H+Na"	25.00377
"1260252"	181.052886	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+CH3OH+H"	33.033486
"379923"	335.001958	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+K"	38.963158
"750762"	483.021358	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+K"	38.963158
"1554517"	186.982558	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+K"	38.963158
"305615"	168.004617	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+H+K"	39.970434
"703875"	242.014317	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+H+K"	39.970434
"1456971"	93.994917	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H+K"	39.970434
"249580"	338.072626	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+ACN+H"	42.033826
"1223017"	190.053226	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+ACN+H"	42.033826
"1204713"	95.530251	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+ACN+2H"	43.041102
"202567"	341.00996	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+2Na-H"	44.97116
"638235"	489.02936	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+2Na-H"	44.97116
"1138458"	192.99056	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2Na-H"	44.97116
"183577"	171.008618	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+2Na"	45.978436
"624230"	245.018318	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+2Na"	45.978436
"1124821"	96.998918	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2Na"	45.978436
"1406157"	65.001704	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H+2Na"	46.985712
"1434992"	195.032146	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H+HCOOH"	47.012746
"233076"	176.04164	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+3H2O+2H"	56.04448
"1521504"	209.08419	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+IsoProp+H"	61.06479
"414629"	178.995588	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+Na+K"	61.952376
"782549"	253.005288	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+Na+K"	61.952376
"1671956"	104.985888	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Na+K"	61.952376
"260662"	360.054568	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+ACN+Na"	64.015768
"1235195"	212.035168	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+ACN+Na"	64.015768
"1720074"	212.058693	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+NH4+HCOOH"	64.039293
"1186525"	72.329018	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+3Na"	68.967654
"1660794"	217.014088	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Na+HCOOH"	68.994688
"170936"	372.95784	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+2K-H"	76.91904
"610501"	520.97724	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+2K-H"	76.91904
"1099267"	224.93844	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2K-H"	76.91904
"155840"	186.982558	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"2M+2K"	77.926316
"593576"	260.992258	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"3M+2K"	77.926316
"1074807"	112.972858	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2K"	77.926316
"1108018"	226.952992	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2K+H"	78.933592
"1347683"	227.040607	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+DMSO+H"	79.021207
"1016213"	231.079776	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2ACN+H"	83.060376
"1536525"	232.073408	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+IsoProp+Na+H"	84.054008
"1001876"	116.043526	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+2ACN+2H"	84.067652
"1598567"	232.988028	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+K+HCOOH"	84.968628
"1423134"	263.019538	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+H+CF3COOH"	115.000138
"1158888"	136.556801	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+3ACN+2H"	125.094202
"1705159"	280.046085	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+NH4+CF3COOH"	132.026685
"1636438"	285.00148	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+Na+CF3COOH"	136.98208
"1577556"	300.97542	"C01180"	"4-Methylthio-2-oxobutanoic acid;4-Methylthio-2-oxobutanoate;2-Keto-4-methylthiobutyric acid;2-Oxo-4-methylthiobutanoate;2-Oxo-4-methylthiobutanoic acid"	"C5H8O3S"	"148.0194"	"M+K+CF3COOH"	152.95602
"804641"	146.1181	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M"	0
"988015"	127.09971	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-H2O-H"	-19.01839
"75894"	96.4047906666667	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M-3H"	-3.021828
"508165"	145.110824	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M-3H"	-3.021828
"889247"	47.6987573333333	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-3H"	-3.021828
"11102"	145.110824	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M-2H"	-2.014552
"448476"	218.169874	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M-2H"	-2.014552
"826281"	72.051774	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-2H"	-2.014552
"93450"	291.228924	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M-H"	-1.007276
"530214"	437.347024	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M-H"	-1.007276
"908015"	145.110824	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-H"	-1.007276
"54734"	308.255471	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M-2H+NH4"	16.019271
"492111"	454.373571	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M-2H+NH4"	16.019271
"868450"	162.137371	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-2H+NH4"	16.019271
"35626"	313.210866	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M-2H+Na"	20.974666
"476278"	459.328966	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M-2H+Na"	20.974666
"856268"	167.092766	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-2H+Na"	20.974666
"1625805"	167.092766	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Na-2H"	20.974666
"108655"	163.099163	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M-H+Cl"	33.962126
"546268"	236.158213	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M-H+Cl"	33.962126
"935408"	90.040113	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-H+Cl"	33.962126
"275057"	327.205602	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+Cl"	34.969402
"665288"	473.323702	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+Cl"	34.969402
"1277693"	181.087502	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Cl"	34.969402
"27909"	329.184806	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M-2H+K"	36.948606
"463096"	475.302906	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M-2H+K"	36.948606
"844910"	183.066706	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-2H+K"	36.948606
"1569495"	183.066706	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+K-2H"	36.948606
"952278"	191.116294	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-H+HCOOH"	44.998194
"372682"	337.234401	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+HCOOH-H"	44.998201
"360580"	351.250051	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+Hac-H"	59.013851
"1503215"	205.131951	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Hac-H"	59.013851
"968569"	213.098251	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-H+NaCOOH"	66.980151
"120755"	181.087502	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+2Cl"	69.938804
"563597"	254.146552	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+2Cl"	69.938804
"1029479"	108.028452	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2Cl"	69.938804
"1245776"	225.036985	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Br"	78.918885
"1313329"	227.092972	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Cl+HCOOH"	80.974872
"1327544"	249.074929	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Cl+NaCOOH"	102.956829
"918602"	259.103686	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M-H+CF3COOH"	112.985586
"1297498"	295.080364	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Cl+CF3COOH"	148.962264
"1377848"	111.105424	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H-2H2O"	-35.012676
"1394252"	129.1154	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H-H2O"	-17.0027
"295397"	293.243476	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+H"	1.007276
"686362"	439.361576	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+H"	1.007276
"1360524"	147.125376	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H"	1.007276
"129036"	147.125376	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+2H"	2.014552
"568961"	220.184426	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+2H"	2.014552
"1039949"	74.066326	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2H"	2.014552
"214055"	98.4193426666667	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+3H"	3.021828
"651424"	147.125376	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+3H"	3.021828
"1175023"	49.7133093333333	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+3H"	3.021828
"435016"	310.270023	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+NH4"	18.033823
"796012"	456.388123	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+NH4"	18.033823
"1689062"	164.151923	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+NH4"	18.033823
"339528"	155.6386495	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+H+NH4"	19.041099
"734133"	228.6976995	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+H+NH4"	19.041099
"1489045"	82.5795995	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H+NH4"	19.041099
"404446"	315.225418	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+Na"	22.989218
"762164"	461.343518	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+Na"	22.989218
"1613542"	169.107318	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Na"	22.989218
"323577"	158.116347	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+H+Na"	23.996494
"719277"	231.175397	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+H+Na"	23.996494
"1473097"	85.057297	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H+Na"	23.996494
"1060875"	57.0406233333333	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2H+Na"	25.00377
"1261457"	179.151586	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+CH3OH+H"	33.033486
"379304"	331.199358	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+K"	38.963158
"750872"	477.317458	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+K"	38.963158
"1551833"	185.081258	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+K"	38.963158
"305725"	166.103317	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+H+K"	39.970434
"704348"	239.162367	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+H+K"	39.970434
"1459996"	93.044267	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H+K"	39.970434
"250419"	334.270026	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+ACN+H"	42.033826
"1223981"	188.151926	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+ACN+H"	42.033826
"1207009"	94.579601	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+ACN+2H"	43.041102
"203524"	337.20736	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+2Na-H"	44.97116
"641625"	483.32546	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+2Na-H"	44.97116
"1138568"	191.08926	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2Na-H"	44.97116
"187211"	169.107318	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+2Na"	45.978436
"624704"	242.166368	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+2Na"	45.978436
"1126025"	96.048268	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2Na"	45.978436
"1408454"	64.3679373333333	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H+2Na"	46.985712
"1432916"	193.130846	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H+HCOOH"	47.012746
"224800"	174.14034	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+3H2O+2H"	56.04448
"1520517"	207.18289	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+IsoProp+H"	61.06479
"415829"	177.094288	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+Na+K"	61.952376
"781197"	250.153338	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+Na+K"	61.952376
"1674249"	104.035238	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Na+K"	61.952376
"262956"	356.251968	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+ACN+Na"	64.015768
"1231289"	210.133868	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+ACN+Na"	64.015768
"1723461"	210.157393	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+NH4+HCOOH"	64.039293
"1189914"	71.6952513333333	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+3Na"	68.967654
"1660904"	215.112788	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Na+HCOOH"	68.994688
"163391"	369.15524	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+2K-H"	76.91904
"612667"	515.27334	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+2K-H"	76.91904
"1098040"	223.03714	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2K-H"	76.91904
"156193"	185.081258	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"2M+2K"	77.926316
"596848"	258.140308	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"3M+2K"	77.926316
"1074917"	112.022208	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2K"	77.926316
"1113594"	225.051692	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2K+H"	78.933592
"1348886"	225.139307	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+DMSO+H"	79.021207
"1018509"	229.178476	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2ACN+H"	83.060376
"1537727"	230.172108	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+IsoProp+Na+H"	84.054008
"1003081"	115.092876	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+2ACN+2H"	84.067652
"1594303"	231.086728	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+K+HCOOH"	84.968628
"1425430"	261.118238	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+H+CF3COOH"	115.000138
"1156811"	135.606151	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+3ACN+2H"	125.094202
"1708548"	278.144785	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+NH4+CF3COOH"	132.026685
"1637641"	283.10018	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+Na+CF3COOH"	136.98208
"1577666"	299.07412	"C01181"	"4-Trimethylammoniobutanoate;Butyro-betaine;gamma-Butyrobetaine"	"C7H16NO2"	"146.1181"	"M+K+CF3COOH"	152.95602
"811312"	309.9855	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M"	0
"987761"	290.96711	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H2O-H"	-19.01839
"78416"	205.649724	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-3H"	-3.021828
"517024"	308.978224	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-3H"	-3.021828
"892638"	102.321224	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-3H"	-3.021828
"11215"	308.978224	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H"	-2.014552
"454057"	463.970974	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H"	-2.014552
"829672"	153.985474	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H"	-2.014552
"90764"	618.963724	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-H"	-1.007276
"528137"	928.949224	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-H"	-1.007276
"905938"	308.978224	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H"	-1.007276
"54844"	635.990271	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+NH4"	16.019271
"492221"	945.975771	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+NH4"	16.019271
"868197"	326.004771	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+NH4"	16.019271
"36828"	640.945666	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+Na"	20.974666
"474564"	950.931166	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+Na"	20.974666
"856378"	330.960166	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+Na"	20.974666
"1629195"	330.960166	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na-2H"	20.974666
"108765"	326.966563	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-H+Cl"	33.962126
"545284"	481.959313	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-H+Cl"	33.962126
"938798"	171.973813	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+Cl"	33.962126
"275531"	654.940402	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Cl"	34.969402
"666492"	964.925902	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Cl"	34.969402
"1277803"	344.954902	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl"	34.969402
"28019"	656.919606	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+K"	36.948606
"459926"	966.905106	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+K"	36.948606
"845383"	346.934106	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+K"	36.948606
"1566689"	346.934106	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K-2H"	36.948606
"952389"	354.983694	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+HCOOH"	44.998194
"370603"	664.969201	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+HCOOH-H"	44.998201
"357767"	678.984851	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Hac-H"	59.013851
"1504418"	368.999351	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Hac-H"	59.013851
"970138"	376.965651	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+NaCOOH"	66.980151
"123782"	344.954902	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Cl"	69.938804
"561518"	499.947652	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Cl"	69.938804
"1029225"	189.962152	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Cl"	69.938804
"1248802"	388.904385	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Br"	78.918885
"1309428"	390.960372	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+HCOOH"	80.974872
"1328749"	412.942329	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+NaCOOH"	102.956829
"916158"	422.971086	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+CF3COOH"	112.985586
"1298700"	458.947764	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+CF3COOH"	148.962264
"1376865"	274.972824	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H-2H2O"	-35.012676
"1392176"	292.9828	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H-H2O"	-17.0027
"294050"	620.978276	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H"	1.007276
"683195"	930.963776	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H"	1.007276
"1355534"	310.992776	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H"	1.007276
"131336"	310.992776	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2H"	2.014552
"574175"	465.985526	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2H"	2.014552
"1046257"	156.000026	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2H"	2.014552
"214893"	207.664276	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H"	3.021828
"651535"	310.992776	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+3H"	3.021828
"1174041"	104.335776	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3H"	3.021828
"434032"	638.004823	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+NH4"	18.033823
"797216"	947.990323	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+NH4"	18.033823
"1690267"	328.019323	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4"	18.033823
"340732"	319.5060495	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+NH4"	19.041099
"733151"	474.4987995	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+NH4"	19.041099
"1490248"	164.5132995	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+NH4"	19.041099
"400187"	642.960218	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na"	22.989218
"766648"	952.945718	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na"	22.989218
"1615838"	332.974718	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na"	22.989218
"326967"	321.983747	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+Na"	23.996494
"721939"	476.976497	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+Na"	23.996494
"1472114"	166.990997	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+Na"	23.996494
"1060986"	111.66309	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2H+Na"	25.00377
"1263754"	343.018986	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+CH3OH+H"	33.033486
"379414"	658.934158	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+K"	38.963158
"750618"	968.919658	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+K"	38.963158
"1550850"	348.948658	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K"	38.963158
"305835"	329.970717	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+K"	39.970434
"703727"	484.963467	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+K"	39.970434
"1457549"	174.977967	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+K"	39.970434
"251260"	662.004826	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+H"	42.033826
"1224212"	352.019326	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+H"	42.033826
"1208210"	176.513301	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+2H"	43.041102
"202175"	664.94216	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na-H"	44.97116
"641735"	974.92766	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na-H"	44.97116
"1139772"	354.95666	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na-H"	44.97116
"187442"	332.974718	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na"	45.978436
"624453"	487.967468	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na"	45.978436
"1127229"	177.981968	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na"	45.978436
"1410753"	118.990404	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+2Na"	46.985712
"1440681"	356.998246	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+HCOOH"	47.012746
"226004"	338.00774	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H2O+2H"	56.04448
"1517346"	371.05029	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+H"	61.06479
"418126"	340.961688	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na+K"	61.952376
"778027"	495.954438	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na+K"	61.952376
"1674359"	185.968938	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+K"	61.952376
"261973"	683.986768	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+Na"	64.015768
"1231399"	374.001268	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+Na"	64.015768
"1721382"	374.024793	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+HCOOH"	64.039293
"1190024"	126.317718	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3Na"	68.967654
"1661014"	378.980188	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+HCOOH"	68.994688
"165687"	696.89004	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K-H"	76.91904
"612057"	1006.87554	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K-H"	76.91904
"1097421"	386.90454	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K-H"	76.91904
"155331"	348.948658	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K"	77.926316
"595986"	503.941408	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K"	77.926316
"1073934"	193.955908	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K"	77.926316
"1106050"	388.919092	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K+H"	78.933592
"1346808"	389.006707	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+DMSO+H"	79.021207
"1013154"	393.045876	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+H"	83.060376
"1532373"	394.039508	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+Na+H"	84.054008
"1001006"	197.026576	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+2H"	84.067652
"1599881"	394.954128	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K+HCOOH"	84.968628
"1428820"	424.985638	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+CF3COOH"	115.000138
"1159108"	217.539851	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3ACN+2H"	125.094202
"1708658"	442.012185	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+CF3COOH"	132.026685
"1637751"	446.96758	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+CF3COOH"	136.98208
"1577776"	462.94152	"C01182"	"D-Ribulose 15-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K+CF3COOH"	152.95602
"801782"	137.0841	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M"	0
"981674"	118.06571	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"71010"	90.382124	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"514947"	136.076824	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"889468"	44.687424	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"12418"	136.076824	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"453802"	204.618874	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"827594"	67.534774	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"89781"	273.160924	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"529341"	410.245024	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"904954"	136.076824	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"54954"	290.187471	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"492331"	427.271571	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"867944"	153.103371	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"36939"	295.142866	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"475769"	432.226966	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"856488"	158.058766	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1630395"	158.058766	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"109766"	154.065163	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"543208"	222.607213	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"938908"	85.523113	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"275277"	309.137602	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"667696"	446.221702	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1276820"	172.053502	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"28129"	311.116806	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"460036"	448.200906	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"845493"	174.032706	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1564613"	174.032706	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"952499"	182.082294	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"370713"	319.166401	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"355690"	333.182051	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1501248"	196.097951	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"968789"	204.064251	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"117696"	172.053502	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"564062"	240.595552	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1029335"	103.511452	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1247453"	216.002985	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1311359"	218.058972	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1328858"	240.040929	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"918820"	250.069686	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1297718"	286.046364	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1374786"	102.071424	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1393377"	120.0814	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"293431"	275.175476	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"682212"	412.259576	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1357831"	138.091376	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"132539"	138.091376	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"571005"	206.633426	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1043088"	69.549326	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"208805"	92.396676	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"648363"	138.091376	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1174881"	46.701976	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"437422"	292.202023	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"797326"	429.286123	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1693657"	155.117923	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"340842"	146.6046495	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"735449"	215.1466995	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1490359"	78.0625995	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"403577"	297.157418	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"764572"	434.241518	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1613762"	160.073318	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"327077"	149.082347	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"720591"	217.624397	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1472225"	80.540297	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1061096"	54.02929	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1267147"	170.117586	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"380254"	313.131358	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"749999"	450.215458	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1552053"	176.047258	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"308132"	157.069317	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"703837"	225.611367	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1458388"	88.527267	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"249542"	316.202026	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1224439"	179.117926	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1207227"	90.062601	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"202285"	319.13936	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"641845"	456.22346	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1139882"	182.05526	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"186458"	160.073318	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"623833"	228.615368	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1121872"	91.531268	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1409768"	61.356604	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1442977"	184.096846	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"226112"	165.10634	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1514175"	198.14889	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"417142"	168.060288	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"773762"	236.602338	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1674469"	99.518238	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"262083"	338.183968	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1233696"	201.099868	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1720399"	201.123393	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1191226"	68.683918	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1661124"	206.078788	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"164704"	351.08724	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"611681"	488.17134	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1098138"	214.00314	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"155441"	176.047258	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"596581"	244.589308	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1079511"	107.505208	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1109440"	216.017692	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1350930"	216.105307	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1017637"	220.144476	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1533575"	221.138108	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"1002210"	110.575876	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1601450"	222.052728	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1425649"	252.084238	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1155937"	131.089151	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1708768"	269.110785	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1637861"	274.06618	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1577886"	290.04012	"C01183"	"NN-Dimethylaniline N-oxide"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"802055"	336.0484	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M"	0
"981784"	317.03001	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-H2O-H"	-19.01839
"72213"	223.024990666667	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M-3H"	-3.021828
"513964"	335.041124	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M-3H"	-3.021828
"889578"	111.008857333333	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-3H"	-3.021828
"12528"	335.041124	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M-2H"	-2.014552
"453062"	503.065324	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M-2H"	-2.014552
"827704"	167.016924	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-2H"	-2.014552
"89891"	671.089524	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M-H"	-1.007276
"528358"	1007.137924	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M-H"	-1.007276
"905064"	335.041124	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-H"	-1.007276
"56157"	688.116071	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M-2H+NH4"	16.019271
"494629"	1024.164471	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M-2H+NH4"	16.019271
"869150"	352.067671	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-2H+NH4"	16.019271
"40331"	693.071466	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M-2H+Na"	20.974666
"475516"	1029.119866	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M-2H+Na"	20.974666
"860973"	357.023066	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-2H+Na"	20.974666
"1629414"	357.023066	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Na-2H"	20.974666
"105945"	353.029463	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M-H+Cl"	33.962126
"542224"	521.053663	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M-H+Cl"	33.962126
"933551"	185.005263	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-H+Cl"	33.962126
"269918"	707.066202	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+Cl"	34.969402
"662339"	1043.114602	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+Cl"	34.969402
"1275108"	371.017802	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Cl"	34.969402
"30064"	709.045406	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M-2H+K"	36.948606
"460146"	1045.093806	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M-2H+K"	36.948606
"845603"	372.997006	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-2H+K"	36.948606
"1565816"	372.997006	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+K-2H"	36.948606
"952609"	381.046594	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-H+HCOOH"	44.998194
"371916"	717.095001	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+HCOOH-H"	44.998201
"356894"	731.110651	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+Hac-H"	59.013851
"1505004"	395.062251	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Hac-H"	59.013851
"969995"	403.028551	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-H+NaCOOH"	66.980151
"122909"	371.017802	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+2Cl"	69.938804
"564291"	539.042002	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+2Cl"	69.938804
"1030538"	202.993602	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2Cl"	69.938804
"1250115"	414.967285	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Br"	78.918885
"1310377"	417.023272	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Cl+HCOOH"	80.974872
"1328968"	439.005229	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Cl+NaCOOH"	102.956829
"919294"	449.033986	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M-H+CF3COOH"	112.985586
"1295642"	485.010664	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Cl+CF3COOH"	148.962264
"1374896"	301.035724	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H-2H2O"	-35.012676
"1393487"	319.0457	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H-H2O"	-17.0027
"293174"	673.104076	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+H"	1.007276
"682320"	1009.152476	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+H"	1.007276
"1356484"	337.055676	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H"	1.007276
"127910"	337.055676	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+2H"	2.014552
"571114"	505.079876	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+2H"	2.014552
"1041374"	169.031476	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2H"	2.014552
"210007"	225.039542666667	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+3H"	3.021828
"648472"	337.055676	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+3H"	3.021828
"1174261"	113.023409333333	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+3H"	3.021828
"435346"	690.130623	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+NH4"	18.033823
"798165"	1026.179023	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+NH4"	18.033823
"1690487"	354.082223	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+NH4"	18.033823
"342044"	345.5689495	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+H+NH4"	19.041099
"734465"	513.5931495	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+H+NH4"	19.041099
"1490104"	177.5447495	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H+NH4"	19.041099
"402593"	695.086018	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+Na"	22.989218
"764682"	1031.134418	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+Na"	22.989218
"1613872"	359.037618	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Na"	22.989218
"328525"	348.046647	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+H+Na"	23.996494
"720701"	516.070847	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+H+Na"	23.996494
"1473428"	180.022447	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H+Na"	23.996494
"1064486"	120.350723333333	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2H+Na"	25.00377
"1265799"	369.081886	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+CH3OH+H"	33.033486
"382550"	711.059958	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+K"	38.963158
"751202"	1047.108358	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+K"	38.963158
"1554351"	375.011558	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+K"	38.963158
"307149"	356.033617	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+H+K"	39.970434
"706013"	524.057817	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+H+K"	39.970434
"1458861"	188.009417	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H+K"	39.970434
"249288"	714.130626	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+ACN+H"	42.033826
"1221999"	378.082226	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+ACN+H"	42.033826
"1206973"	189.544751	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+ACN+2H"	43.041102
"200208"	717.06796	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+2Na-H"	44.97116
"641591"	1053.11636	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+2Na-H"	44.97116
"1138899"	381.01956	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2Na-H"	44.97116
"181101"	359.037618	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+2Na"	45.978436
"622851"	527.061818	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+2Na"	45.978436
"1121982"	191.013418	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2Na"	45.978436
"1406599"	127.678037333333	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H+2Na"	46.985712
"1437985"	383.061146	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H+HCOOH"	47.012746
"225124"	364.07064	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+3H2O+2H"	56.04448
"1517562"	397.11319	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+IsoProp+H"	61.06479
"413970"	367.024588	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+Na+K"	61.952376
"773872"	535.048788	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+Na+K"	61.952376
"1674579"	199.000388	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Na+K"	61.952376
"262193"	736.112568	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+ACN+Na"	64.015768
"1234899"	400.064168	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+ACN+Na"	64.015768
"1722330"	400.087693	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+NH4+HCOOH"	64.039293
"1183675"	135.005351333333	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+3Na"	68.967654
"1661232"	405.043088	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Na+HCOOH"	68.994688
"164814"	749.01584	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+2K-H"	76.91904
"603281"	1085.06424	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+2K-H"	76.91904
"1096548"	412.96744	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2K-H"	76.91904
"156522"	375.011558	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"2M+2K"	77.926316
"596652"	543.035758	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"3M+2K"	77.926316
"1082660"	206.987358	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2K"	77.926316
"1108457"	414.981992	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2K+H"	78.933592
"1347028"	415.069607	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+DMSO+H"	79.021207
"1017748"	419.108776	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2ACN+H"	83.060376
"1533685"	420.102408	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+IsoProp+Na+H"	84.054008
"1001227"	210.058026	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+2ACN+2H"	84.067652
"1601804"	421.017028	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+K+HCOOH"	84.968628
"1425759"	451.048538	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+H+CF3COOH"	115.000138
"1157140"	230.571301	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+3ACN+2H"	125.094202
"1708878"	468.075085	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+NH4+CF3COOH"	132.026685
"1637971"	473.03048	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+Na+CF3COOH"	136.98208
"1577996"	489.00442	"C01185"	"Nicotinate D-ribonucleotide;beta-Nicotinate D-ribonucleotide;Nicotinate ribonucleotide;Nicotinic acid ribonucleotide"	"C11H15NO9P"	"336.0484"	"M+K+CF3COOH"	152.95602
"801801"	146.1055	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M"	0
"985174"	127.08711	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-H2O-H"	-19.01839
"76578"	96.3963906666667	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M-3H"	-3.021828
"511887"	145.098224	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M-3H"	-3.021828
"892971"	47.6945573333333	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-3H"	-3.021828
"11545"	145.098224	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M-2H"	-2.014552
"453295"	218.150974	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M-2H"	-2.014552
"827819"	72.045474	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-2H"	-2.014552
"89998"	291.203724	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M-H"	-1.007276
"531385"	437.309224	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M-H"	-1.007276
"905174"	145.098224	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-H"	-1.007276
"55174"	308.230271	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M-2H+NH4"	16.019271
"493646"	454.335771	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M-2H+NH4"	16.019271
"871447"	162.124771	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-2H+NH4"	16.019271
"40442"	313.185666	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M-2H+Na"	20.974666
"478907"	459.291166	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M-2H+Na"	20.974666
"857805"	167.080166	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-2H+Na"	20.974666
"1629526"	167.080166	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Na-2H"	20.974666
"106055"	163.086563	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M-H+Cl"	33.962126
"547802"	236.139313	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M-H+Cl"	33.962126
"940953"	90.033813	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-H+Cl"	33.962126
"277685"	327.180402	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+Cl"	34.969402
"669012"	473.285902	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+Cl"	34.969402
"1278134"	181.074902	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Cl"	34.969402
"27258"	329.159606	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M-2H+K"	36.948606
"460256"	475.265106	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M-2H+K"	36.948606
"846090"	183.054106	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-2H+K"	36.948606
"1568484"	183.054106	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+K-2H"	36.948606
"952720"	191.103694	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-H+HCOOH"	44.998194
"374219"	337.209201	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+HCOOH-H"	44.998201
"357010"	351.224851	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+Hac-H"	59.013851
"1501465"	205.119351	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Hac-H"	59.013851
"969008"	213.085651	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-H+NaCOOH"	66.980151
"119008"	181.074902	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+2Cl"	69.938804
"560754"	254.127652	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+2Cl"	69.938804
"1030655"	108.022152	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2Cl"	69.938804
"1254604"	225.024385	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Br"	78.918885
"1317052"	227.080372	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Cl+HCOOH"	80.974872
"1332727"	249.062329	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Cl+NaCOOH"	102.956829
"924512"	259.091086	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M-H+CF3COOH"	112.985586
"1300128"	295.067764	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Cl+CF3COOH"	148.962264
"1377199"	111.092824	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H-2H2O"	-35.012676
"1393238"	129.1028	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H-H2O"	-17.0027
"292194"	293.218276	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+H"	1.007276
"679515"	439.323776	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+H"	1.007276
"1355500"	147.112776	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H"	1.007276
"134952"	147.112776	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+2H"	2.014552
"572324"	220.165526	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+2H"	2.014552
"1048781"	74.060026	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2H"	2.014552
"211210"	98.4109426666667	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+3H"	3.021828
"657337"	147.112776	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+3H"	3.021828
"1172186"	49.7091093333333	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+3H"	3.021828
"432176"	310.244823	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+NH4"	18.033823
"793172"	456.350323	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+NH4"	18.033823
"1690596"	164.139323	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+NH4"	18.033823
"342155"	155.6260495	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+H+NH4"	19.041099
"736764"	228.6787995	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+H+NH4"	19.041099
"1490585"	82.5732995	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H+NH4"	19.041099
"402700"	315.200218	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+Na"	22.989218
"764788"	461.305718	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+Na"	22.989218
"1612887"	169.094718	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Na"	22.989218
"324017"	158.103747	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+H+Na"	23.996494
"718625"	231.156497	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+H+Na"	23.996494
"1474632"	85.050997	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H+Na"	23.996494
"1063502"	57.0364233333333	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2H+Na"	25.00377
"1268461"	179.138986	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+CH3OH+H"	33.033486
"391411"	331.174158	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+K"	38.963158
"752779"	477.279658	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+K"	38.963158
"1554101"	185.068658	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+K"	38.963158
"312733"	166.090717	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+H+K"	39.970434
"705153"	239.143467	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+H+K"	39.970434
"1459702"	93.037967	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H+K"	39.970434
"250253"	334.244826	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+ACN+H"	42.033826
"1224176"	188.139326	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+ACN+H"	42.033826
"1200892"	94.573301	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+ACN+2H"	43.041102
"200320"	337.18216	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+2Na-H"	44.97116
"639882"	483.28766	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+2Na-H"	44.97116
"1143751"	191.07666	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2Na-H"	44.97116
"181210"	169.094718	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+2Na"	45.978436
"617492"	242.147468	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+2Na"	45.978436
"1122091"	96.041968	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2Na"	45.978436
"1405616"	64.3637373333333	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H+2Na"	46.985712
"1437732"	193.118246	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H+HCOOH"	47.012746
"225234"	174.12774	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+3H2O+2H"	56.04448
"1515854"	207.17029	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+IsoProp+H"	61.06479
"418093"	177.081688	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+Na+K"	61.952376
"779817"	250.134438	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+Na+K"	61.952376
"1674691"	104.028938	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Na+K"	61.952376
"259026"	356.226768	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+ACN+Na"	64.015768
"1232830"	210.121268	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+ACN+Na"	64.015768
"1720621"	210.144793	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+NH4+HCOOH"	64.039293
"1185978"	71.6910513333333	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+3Na"	68.967654
"1659155"	215.100188	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Na+HCOOH"	68.994688
"164924"	369.13004	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+2K-H"	76.91904
"609953"	515.23554	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+2K-H"	76.91904
"1099088"	223.02454	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2K-H"	76.91904
"156632"	185.068658	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"2M+2K"	77.926316
"596316"	258.121408	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"3M+2K"	77.926316
"1081918"	112.015908	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2K"	77.926316
"1110754"	225.039092	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2K+H"	78.933592
"1343858"	225.126707	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+DMSO+H"	79.021207
"1018830"	229.165876	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2ACN+H"	83.060376
"1535983"	230.159508	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+IsoProp+Na+H"	84.054008
"1004375"	115.086576	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+2ACN+2H"	84.067652
"1601915"	231.074128	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+K+HCOOH"	84.968628
"1428061"	261.105638	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+H+CF3COOH"	115.000138
"1160535"	135.599851	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+3ACN+2H"	125.094202
"1711179"	278.132185	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+NH4+CF3COOH"	132.026685
"1640267"	283.08758	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+Na+CF3COOH"	136.98208
"1572637"	299.06152	"C01186"	"(3S5S)-35-Diaminohexanoate;L-erythro-35-Diaminohexanoate;(3S5S)-35-Diaminocaproate;L-erythro-35-Diaminocaproate"	"C6H14N2O2"	"146.1055"	"M+K+CF3COOH"	152.95602
"803369"	238.0689	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M"	0
"983098"	219.05051	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-H2O-H"	-19.01839
"74623"	157.705324	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M-3H"	-3.021828
"518317"	237.061624	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M-3H"	-3.021828
"888706"	78.349024	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-3H"	-3.021828
"10562"	237.061624	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M-2H"	-2.014552
"450125"	356.096074	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M-2H"	-2.014552
"823554"	118.027174	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-2H"	-2.014552
"93718"	475.130524	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M-H"	-1.007276
"533440"	713.199424	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M-H"	-1.007276
"905284"	237.061624	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-H"	-1.007276
"53098"	492.157071	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M-2H+NH4"	16.019271
"495942"	730.225971	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M-2H+NH4"	16.019271
"874840"	254.088171	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-2H+NH4"	16.019271
"38364"	497.112466	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M-2H+Na"	20.974666
"479018"	735.181366	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M-2H+Na"	20.974666
"856820"	259.043566	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-2H+Na"	20.974666
"1632431"	259.043566	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Na-2H"	20.974666
"103977"	255.049963	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M-H+Cl"	33.962126
"545724"	374.084413	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M-H+Cl"	33.962126
"940332"	136.015513	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-H+Cl"	33.962126
"278888"	511.107202	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+Cl"	34.969402
"669124"	749.176102	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+Cl"	34.969402
"1285905"	273.038302	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Cl"	34.969402
"26273"	513.086406	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M-2H+K"	36.948606
"460365"	751.155306	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M-2H+K"	36.948606
"845836"	275.017506	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-2H+K"	36.948606
"1567501"	275.017506	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+K-2H"	36.948606
"952829"	283.067094	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-H+HCOOH"	44.998194
"372873"	521.136001	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+HCOOH-H"	44.998201
"358211"	535.151651	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+Hac-H"	59.013851
"1500482"	297.082751	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Hac-H"	59.013851
"968025"	305.049051	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-H+NaCOOH"	66.980151
"120211"	273.038302	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+2Cl"	69.938804
"561959"	392.072752	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+2Cl"	69.938804
"1028579"	154.003852	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2Cl"	69.938804
"1249613"	316.987785	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Br"	78.918885
"1312789"	319.043772	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Cl+HCOOH"	80.974872
"1327006"	341.025729	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Cl+NaCOOH"	102.956829
"922436"	351.054486	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M-H+CF3COOH"	112.985586
"1296958"	387.031164	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Cl+CF3COOH"	148.962264
"1375122"	203.056224	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H-2H2O"	-35.012676
"1390433"	221.0662	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H-H2O"	-17.0027
"293395"	477.145076	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+H"	1.007276
"683636"	715.213976	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+H"	1.007276
"1361079"	239.076176	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H"	1.007276
"135062"	239.076176	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+2H"	2.014552
"573526"	358.110626	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+2H"	2.014552
"1050712"	120.041726	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2H"	2.014552
"215702"	159.719876	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+3H"	3.021828
"657084"	239.076176	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+3H"	3.021828
"1174480"	80.363576	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+3H"	3.021828
"434471"	494.171623	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+NH4"	18.033823
"796561"	732.240523	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+NH4"	18.033823
"1693986"	256.102723	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+NH4"	18.033823
"340078"	247.5894495	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+H+NH4"	19.041099
"733591"	366.6238995	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+H+NH4"	19.041099
"1487410"	128.5549995	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H+NH4"	19.041099
"402809"	499.127018	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+Na"	22.989218
"767085"	737.195918	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+Na"	22.989218
"1615183"	261.058118	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Na"	22.989218
"327407"	250.067147	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+H+Na"	23.996494
"716183"	369.101597	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+H+Na"	23.996494
"1470367"	131.032697	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H+Na"	23.996494
"1064706"	87.69089	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2H+Na"	25.00377
"1272183"	271.102386	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+CH3OH+H"	33.033486
"392379"	515.100958	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+K"	38.963158
"753131"	753.169858	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+K"	38.963158
"1553483"	277.032058	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+K"	38.963158
"310654"	258.054117	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+H+K"	39.970434
"705991"	377.088567	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+H+K"	39.970434
"1456899"	139.019667	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H+K"	39.970434
"249508"	518.171626	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+ACN+H"	42.033826
"1224286"	280.102726	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+ACN+H"	42.033826
"1197720"	140.555001	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+ACN+2H"	43.041102
"196057"	521.10896	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+2Na-H"	44.97116
"638897"	759.17786	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+2Na-H"	44.97116
"1141309"	283.04006	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2Na-H"	44.97116
"175117"	261.058118	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+2Na"	45.978436
"614678"	380.092568	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+2Na"	45.978436
"1118188"	142.023668	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2Na"	45.978436
"1403538"	95.018204	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H+2Na"	46.985712
"1435654"	285.081646	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H+HCOOH"	47.012746
"224255"	266.09114	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+3H2O+2H"	56.04448
"1512316"	299.13369	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+IsoProp+H"	61.06479
"410179"	269.045088	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+Na+K"	61.952376
"772629"	388.079538	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+Na+K"	61.952376
"1668234"	150.010638	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Na+K"	61.952376
"256580"	540.153568	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+ACN+Na"	64.015768
"1235488"	302.084668	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+ACN+Na"	64.015768
"1720364"	302.108193	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+NH4+HCOOH"	64.039293
"1188276"	102.345518	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+3Na"	68.967654
"1655256"	307.063588	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Na+HCOOH"	68.994688
"165035"	553.05684	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+2K-H"	76.91904
"611157"	791.12574	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+2K-H"	76.91904
"1098466"	314.98794	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2K-H"	76.91904
"155525"	277.032058	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"2M+2K"	77.926316
"595817"	396.066508	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"3M+2K"	77.926316
"1081787"	157.997608	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2K"	77.926316
"1109771"	317.002492	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2K+H"	78.933592
"1349316"	317.090107	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+DMSO+H"	79.021207
"1019062"	321.129276	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2ACN+H"	83.060376
"1538889"	322.122908	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+IsoProp+Na+H"	84.054008
"1003510"	161.068276	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+2ACN+2H"	84.067652
"1601174"	323.037528	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+K+HCOOH"	84.968628
"1428900"	353.069038	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+H+CF3COOH"	115.000138
"1162467"	181.581551	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+3ACN+2H"	125.094202
"1710192"	370.095585	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+NH4+CF3COOH"	132.026685
"1636003"	375.05098	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+Na+CF3COOH"	136.98208
"1572747"	391.02492	"C01187"	"3-Deoxy-D-manno-octulosonate;Ketodeoxyoctonate;KDO;2-Dehydro-3-deoxy-D-octonate;3-Deoxy-D-manno-2-octulosonate;3-Deoxyoctulosonic acid"	"C8H14O8"	"238.0689"	"M+K+CF3COOH"	152.95602
"803115"	104.0473	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M"	0
"984301"	85.02891	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"77649"	68.3575906666667	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"518264"	103.040024	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"886630"	33.6751573333333	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"10672"	103.040024	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"449141"	155.063674	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"825850"	51.016374	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"82560"	207.087324	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"528685"	311.134624	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"903206"	103.040024	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"55394"	224.113871	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"494955"	328.161171	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"866191"	120.066571	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"45034"	229.069266	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"479128"	333.116566	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"860210"	125.021966	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1633026"	125.021966	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"107367"	121.028363	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"544740"	173.052013	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"937162"	69.004713	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"278998"	243.064002	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"664859"	347.111302	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1284921"	139.016702	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"26383"	245.043206	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"460475"	349.090506	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"842654"	140.995906	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1568339"	140.995906	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"955854"	149.045494	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"374075"	253.092801	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"357229"	267.108451	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1500594"	163.061151	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"968136"	171.027451	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"122146"	139.016702	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"560611"	191.040352	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1031969"	86.993052	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1252640"	182.966185	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1313994"	185.022172	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1328574"	207.004129	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"921089"	217.032886	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1295247"	253.009564	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1375595"	69.034624	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1390539"	87.0446	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"291318"	209.101876	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"687027"	313.149176	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1363377"	105.054576	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"139546"	105.054576	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"578013"	157.078226	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1050093"	53.030926	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"219700"	70.3721426666667	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"657195"	105.054576	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1175320"	35.6897093333333	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"436770"	226.128423	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"801047"	330.175723	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1696285"	122.081123	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"344563"	113.5678495	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"736621"	165.5914995	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1490804"	61.5441995	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"405108"	231.083818	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"765011"	335.131118	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1618049"	127.036518	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"328977"	116.045547	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"721762"	168.069197	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1474850"	64.021897	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1065910"	43.0170233333333	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1272089"	137.080786	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"392612"	247.057758	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"752995"	351.105058	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1555214"	143.010458	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"310764"	124.032517	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"702093"	176.056167	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1456641"	72.008867	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"249617"	250.128426	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1224272"	146.081126	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1203297"	73.544201	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"200541"	253.06576	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"641194"	357.11306	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1143606"	149.01846	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"176328"	127.036518	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"616982"	179.060168	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1120123"	75.012868	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1403648"	50.3443373333333	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1434671"	151.060046	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"223636"	132.06954	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1510603"	165.11209	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"408954"	135.023488	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"772374"	187.047138	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1667253"	82.999838	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"257420"	272.110368	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1233046"	168.063068	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1718651"	168.086593	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1188387"	57.6716513333333	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1654269"	173.041988	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"162958"	285.01364	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"604706"	389.06094	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1097967"	180.96634	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"155635"	143.010458	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"595806"	195.034108	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1079951"	90.986808	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1106600"	182.980892	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1350889"	183.068507	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1021000"	187.107676	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1538633"	188.101308	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"1004959"	94.057476	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1602483"	189.015928	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1429008"	219.047438	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1162757"	114.570751	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1710302"	236.073985	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1635748"	241.02938	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1572492"	257.00332	"C01188"	"3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyrate;3-Hydroxyisobutyric acid"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"805412"	386.3549	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M"	0
"982224"	367.33651	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"78003"	256.562657333333	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"517685"	385.347624	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"885646"	127.777690666667	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"7502"	385.347624	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"445971"	578.525074	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"821586"	192.170174	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"80481"	771.702524	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"518947"	1158.057424	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"905502"	385.347624	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"52223"	788.729071	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"492877"	1175.083971	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"864717"	402.374171	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"41864"	793.684466	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"479238"	1180.039366	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"853758"	407.329566	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1627667"	407.329566	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"97635"	403.335963	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"547036"	596.513413	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"935083"	210.158513	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"279108"	807.679202	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"666062"	1194.034102	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1280655"	421.324302	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"22119"	809.658406	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"459490"	1196.013306	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"842764"	423.303506	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1570637"	423.303506	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"957422"	431.353094	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"374915"	817.708001	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"359529"	831.723651	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1501067"	445.368751	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"969704"	453.335051	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"118975"	421.324302	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"558897"	614.501752	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1029884"	228.146852	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1251646"	465.273785	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1315197"	467.329772	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1327225"	489.311729	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"918282"	499.340486	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1298272"	535.317164	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1378986"	351.342224	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1393929"	369.3522	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"291428"	773.717076	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"681666"	1160.071976	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1356922"	387.362176	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H"	1.007276
"133091"	387.362176	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"570465"	580.539626	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1040723"	194.184726	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"208259"	258.577209333333	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"645631"	387.362176	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1167037"	129.792242666667	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"436877"	790.743623	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"800430"	1177.098523	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1696276"	404.388723	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"345042"	395.8754495	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"736367"	589.0528995	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1492251"	202.6979995	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"405218"	795.699018	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"769493"	1182.053918	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1617591"	409.344118	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"329968"	398.353147	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"722114"	591.530597	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1474596"	205.175697	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1066992"	137.119556666667	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1272746"	419.388386	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"392824"	811.672958	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"754181"	1198.027858	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1555502"	425.318058	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K"	38.963158
"309418"	406.340117	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"702203"	599.517567	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1457844"	213.162667	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"248998"	814.743626	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1223896"	428.388726	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1203407"	214.698001	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"201016"	817.68096	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"641671"	1204.03586	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1143717"	431.32606	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"174982"	409.344118	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"616728"	602.521568	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1117437"	216.166668	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1403758"	144.446870666667	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1434781"	433.367646	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"221921"	414.37714	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1511444"	447.41969	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"410760"	417.331088	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"772484"	610.508538	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1668091"	224.153638	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"252789"	836.725568	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1229144"	450.370668	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1716936"	450.394193	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1180834"	151.774184666667	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1654015"	455.349588	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"164161"	849.62884	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"605909"	1235.98374	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1099170"	463.27394	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"150519"	425.318058	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"595549"	618.495508	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1076781"	232.140608	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1109990"	465.288492	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1351242"	465.376107	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1020860"	469.415276	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1539702"	470.408908	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"1005555"	235.211276	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1602122"	471.323528	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1428997"	501.355038	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1161957"	255.724551	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1710412"	518.381585	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1636587"	523.33698	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1572602"	539.31092	"C01189"	"Lathosterol;5alpha-Cholest-7-en-3beta-ol"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"812084"	408.2277	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M"	0
"977964"	389.20931	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-H2O-H"	-19.01839
"71674"	271.144524	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M-3H"	-3.021828
"507954"	407.220424	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M-3H"	-3.021828
"886851"	135.068624	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-3H"	-3.021828
"4331"	407.220424	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M-2H"	-2.014552
"440975"	611.334274	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M-2H"	-2.014552
"819869"	203.106574	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-2H"	-2.014552
"87157"	815.448124	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M-H"	-1.007276
"526719"	1223.675824	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M-H"	-1.007276
"904520"	407.220424	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-H"	-1.007276
"60725"	832.474671	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M-2H+NH4"	16.019271
"500649"	1240.702371	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M-2H+NH4"	16.019271
"876993"	424.246971	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-2H+NH4"	16.019271
"45254"	837.430066	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M-2H+Na"	20.974666
"485791"	1245.657766	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M-2H+Na"	20.974666
"860431"	429.202366	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-2H+Na"	20.974666
"1627778"	429.202366	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Na-2H"	20.974666
"107587"	425.208763	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M-H+Cl"	33.962126
"547148"	629.322613	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M-H+Cl"	33.962126
"940662"	221.094913	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-H+Cl"	33.962126
"272658"	851.424802	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+Cl"	34.969402
"666175"	1259.652502	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+Cl"	34.969402
"1273718"	443.197102	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Cl"	34.969402
"20041"	853.404006	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M-2H+K"	36.948606
"467265"	1261.631706	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M-2H+K"	36.948606
"847503"	445.176306	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-2H+K"	36.948606
"1570750"	445.176306	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+K-2H"	36.948606
"957174"	453.225894	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-H+HCOOH"	44.998194
"373568"	861.453601	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+HCOOH-H"	44.998201
"358180"	875.469251	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+Hac-H"	59.013851
"1504099"	467.241551	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Hac-H"	59.013851
"968724"	475.207851	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-H+NaCOOH"	66.980151
"117263"	443.197102	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+2Cl"	69.938804
"559009"	647.310952	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+2Cl"	69.938804
"1031093"	239.083252	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2Cl"	69.938804
"1248485"	487.146585	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Br"	78.918885
"1313121"	489.202572	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Cl+HCOOH"	80.974872
"1327338"	511.184529	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Cl+NaCOOH"	102.956829
"921676"	521.213286	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M-H+CF3COOH"	112.985586
"1298384"	557.189964	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Cl+CF3COOH"	148.962264
"1375451"	373.215024	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H-2H2O"	-35.012676
"1387116"	391.225	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H-H2O"	-17.0027
"288263"	817.462676	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+H"	1.007276
"679590"	1225.690376	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+H"	1.007276
"1360317"	409.234976	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H"	1.007276
"132112"	409.234976	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+2H"	2.014552
"572766"	613.348826	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+2H"	2.014552
"1043751"	205.121126	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2H"	2.014552
"216029"	273.159076	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+3H"	3.021828
"659605"	409.234976	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+3H"	3.021828
"1176635"	137.083176	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+3H"	3.021828
"432617"	834.489223	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+NH4"	18.033823
"800539"	1242.716923	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+NH4"	18.033823
"1695047"	426.261523	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+NH4"	18.033823
"343327"	417.7482495	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+H+NH4"	19.041099
"735017"	621.8620995	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+H+NH4"	19.041099
"1488837"	213.6343995	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H+NH4"	19.041099
"404966"	839.444618	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+Na"	22.989218
"766324"	1247.672318	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+Na"	22.989218
"1616611"	431.216918	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Na"	22.989218
"327739"	420.225947	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+H+Na"	23.996494
"720161"	624.339797	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+H+Na"	23.996494
"1475804"	216.112097	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H+Na"	23.996494
"1068417"	144.41049	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2H+Na"	25.00377
"1272618"	441.261186	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+CH3OH+H"	33.033486
"391126"	855.418558	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+K"	38.963158
"754183"	1263.646258	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+K"	38.963158
"1551259"	447.190858	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+K"	38.963158
"313174"	428.212917	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+H+K"	39.970434
"704502"	632.326767	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+H+K"	39.970434
"1459784"	224.099067	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H+K"	39.970434
"245833"	858.489226	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+ACN+H"	42.033826
"1220725"	450.261526	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+ACN+H"	42.033826
"1208134"	225.634401	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+ACN+2H"	43.041102
"196387"	861.42656	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+2Na-H"	44.97116
"632671"	1269.65426	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+2Na-H"	44.97116
"1137268"	453.19886	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2Na-H"	44.97116
"175092"	431.216918	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+2Na"	45.978436
"615745"	635.330768	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+2Na"	45.978436
"1122530"	227.103068	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2Na"	45.978436
"1400949"	151.737804	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H+2Na"	46.985712
"1434889"	455.240446	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H+HCOOH"	47.012746
"225679"	436.24994	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+3H2O+2H"	56.04448
"1513740"	469.29249	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+IsoProp+H"	61.06479
"410149"	439.203888	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+Na+K"	61.952376
"771014"	643.317738	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+Na+K"	61.952376
"1666374"	235.090038	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Na+K"	61.952376
"252169"	880.471168	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+ACN+Na"	64.015768
"1227432"	472.243468	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+ACN+Na"	64.015768
"1721067"	472.266993	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+NH4+HCOOH"	64.039293
"1187514"	159.065118	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+3Na"	68.967654
"1658501"	477.222388	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Na+HCOOH"	68.994688
"166459"	893.37444	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+2K-H"	76.91904
"612587"	1301.60214	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+2K-H"	76.91904
"1099405"	485.14674	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2K-H"	76.91904
"155977"	447.190858	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"2M+2K"	77.926316
"593472"	651.304708	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"3M+2K"	77.926316
"1077985"	243.077008	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2K"	77.926316
"1111195"	487.161292	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2K+H"	78.933592
"1350497"	487.248907	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+DMSO+H"	79.021207
"1020810"	491.288076	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2ACN+H"	83.060376
"1539748"	492.281708	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+IsoProp+Na+H"	84.054008
"1005463"	246.147676	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+2ACN+2H"	84.067652
"1602437"	493.196328	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+K+HCOOH"	84.968628
"1429553"	523.227838	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+H+CF3COOH"	115.000138
"1158783"	266.660951	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+3ACN+2H"	125.094202
"1703962"	540.254385	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+NH4+CF3COOH"	132.026685
"1638521"	545.20978	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+Na+CF3COOH"	136.98208
"1575269"	561.18372	"C01192"	"Palmitoylglycerone phosphate"	"C19H37O7P"	"408.2277"	"M+K+CF3COOH"	152.95602
"812197"	180.0423	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M"	0
"982450"	161.02391	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H2O-H"	-19.01839
"76162"	119.020924	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-3H"	-3.021828
"515725"	179.035024	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-3H"	-3.021828
"890246"	59.006824	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-3H"	-3.021828
"6633"	179.035024	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H"	-2.014552
"447287"	269.056174	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H"	-2.014552
"828376"	89.013874	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H"	-2.014552
"89824"	359.077324	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-H"	-1.007276
"527928"	539.119624	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-H"	-1.007276
"905733"	179.035024	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H"	-1.007276
"57920"	376.103871	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H+NH4"	16.019271
"498210"	556.146171	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H+NH4"	16.019271
"874918"	196.061571	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H+NH4"	16.019271
"42455"	381.059266	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H+Na"	20.974666
"482741"	561.101566	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H+Na"	20.974666
"857264"	201.016966	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H+Na"	20.974666
"1624610"	201.016966	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na-2H"	20.974666
"101138"	197.023363	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-H+Cl"	33.962126
"541790"	287.044513	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-H+Cl"	33.962126
"935308"	107.002213	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+Cl"	33.962126
"276054"	395.054002	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Cl"	34.969402
"668475"	575.096302	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+Cl"	34.969402
"1284168"	215.011702	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl"	34.969402
"30007"	397.033206	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H+K"	36.948606
"469202"	577.075506	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H+K"	36.948606
"841901"	216.990906	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H+K"	36.948606
"1568671"	216.990906	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K-2H"	36.948606
"953272"	225.040494	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+HCOOH"	44.998194
"372581"	405.082801	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+HCOOH-H"	44.998201
"353186"	419.098451	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Hac-H"	59.013851
"1504935"	239.056151	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Hac-H"	59.013851
"969928"	247.022451	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+NaCOOH"	66.980151
"120656"	215.011702	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2Cl"	69.938804
"556937"	305.032852	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2Cl"	69.938804
"1031203"	124.990552	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2Cl"	69.938804
"1242400"	258.961185	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Br"	78.918885
"1306672"	261.017172	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl+HCOOH"	80.974872
"1327449"	282.999129	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl+NaCOOH"	102.956829
"922879"	293.027886	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+CF3COOH"	112.985586
"1291205"	329.004564	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl+CF3COOH"	148.962264
"1370097"	145.029624	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H-2H2O"	-35.012676
"1386501"	163.0396	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H-H2O"	-17.0027
"293844"	361.091876	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H"	1.007276
"688454"	541.134176	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H"	1.007276
"1363709"	181.049576	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H"	1.007276
"135503"	181.049576	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2H"	2.014552
"579805"	271.070726	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2H"	2.014552
"1049334"	91.028426	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2H"	2.014552
"218819"	121.035476	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+3H"	3.021828
"658743"	181.049576	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+3H"	3.021828
"1173828"	61.021376	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+3H"	3.021828
"436007"	378.118423	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+NH4"	18.033823
"794815"	558.160723	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+NH4"	18.033823
"1694062"	198.076123	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+NH4"	18.033823
"343801"	189.5628495	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H+NH4"	19.041099
"736949"	279.5839995	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H+NH4"	19.041099
"1491010"	99.5416995	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+NH4"	19.041099
"406169"	383.073818	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Na"	22.989218
"767530"	563.116118	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+Na"	22.989218
"1616722"	203.031518	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na"	22.989218
"328950"	192.040547	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H+Na"	23.996494
"722764"	282.061697	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H+Na"	23.996494
"1476939"	102.019397	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+Na"	23.996494
"1068336"	68.34869	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2H+Na"	25.00377
"1272593"	213.075786	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+CH3OH+H"	33.033486
"391485"	399.047758	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+K"	38.963158
"753331"	579.090058	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+K"	38.963158
"1554169"	219.005458	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K"	38.963158
"312560"	200.027517	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H+K"	39.970434
"699146"	290.048667	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H+K"	39.970434
"1450780"	110.006367	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+K"	39.970434
"241569"	402.118426	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+ACN+H"	42.033826
"1214279"	222.076126	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+ACN+H"	42.033826
"1195971"	111.541701	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+ACN+2H"	43.041102
"192122"	405.05576	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2Na-H"	44.97116
"630954"	585.09806	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2Na-H"	44.97116
"1134098"	225.01346	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2Na-H"	44.97116
"173334"	203.031518	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2Na"	45.978436
"613786"	293.052668	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2Na"	45.978436
"1117175"	113.010368	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2Na"	45.978436
"1399607"	75.676004	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+2Na"	46.985712
"1430010"	227.055046	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+HCOOH"	47.012746
"220128"	208.06454	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+3H2O+2H"	56.04448
"1510574"	241.10709	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+IsoProp+H"	61.06479
"408839"	211.018488	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Na+K"	61.952376
"770562"	301.039638	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+Na+K"	61.952376
"1667589"	120.997338	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na+K"	61.952376
"253020"	424.100368	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+ACN+Na"	64.015768
"1233387"	244.058068	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+ACN+Na"	64.015768
"1722275"	244.081593	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+NH4+HCOOH"	64.039293
"1186535"	83.003318	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+3Na"	68.967654
"1661897"	249.036988	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na+HCOOH"	68.994688
"169852"	437.00364	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2K-H"	76.91904
"612452"	617.04594	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2K-H"	76.91904
"1093925"	256.96134	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2K-H"	76.91904
"145276"	219.005458	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2K"	77.926316
"591398"	309.026608	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2K"	77.926316
"1073722"	128.984308	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2K"	77.926316
"1108025"	258.975892	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2K+H"	78.933592
"1346595"	259.063507	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+DMSO+H"	79.021207
"1018407"	263.102676	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2ACN+H"	83.060376
"1538962"	264.096308	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+IsoProp+Na+H"	84.054008
"1005044"	132.054976	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2ACN+2H"	84.067652
"1597479"	265.010928	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K+HCOOH"	84.968628
"1422045"	295.042438	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+CF3COOH"	115.000138
"1157802"	152.568251	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+3ACN+2H"	125.094202
"1698605"	312.068985	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+NH4+CF3COOH"	132.026685
"1635353"	317.02438	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na+CF3COOH"	136.98208
"1581942"	332.99832	"C01197"	"Caffeate;Caffeic acid;34-Dihydroxy-trans-cinnamate;trans-Caffeate;(2E)-3-(34-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K+CF3COOH"	152.95602
"803923"	166.063	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M"	0
"977453"	147.04461	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"77974"	109.701390666667	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"515835"	165.055724	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"891449"	54.3470573333333	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"7836"	165.055724	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"448490"	248.087224	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"829215"	82.024224	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"91759"	331.118724	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"528769"	497.181724	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"905842"	165.055724	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"58030"	348.145271	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"496498"	514.208271	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"876122"	182.082271	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"44021"	353.100666	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"484310"	519.163666	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"860653"	187.037666	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1631279"	187.037666	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"101248"	183.044063	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"538620"	266.075563	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"938699"	100.012563	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"276164"	367.095402	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"669679"	533.158402	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1282091"	201.032402	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"29023"	369.074606	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"467490"	535.137606	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"837637"	203.011606	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1567687"	203.011606	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"953383"	211.061194	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"368317"	377.124201	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"353296"	391.139851	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1503223"	225.076851	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"970037"	233.043151	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"114569"	201.032402	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"552307"	284.063902	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1026940"	118.000902	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1242748"	244.981885	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1305687"	247.037872	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1322087"	269.019829	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"924082"	279.048586	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1289245"	315.025264	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1369113"	131.050324	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1384056"	149.0603	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"287391"	333.133276	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"687470"	499.196276	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1362726"	167.070276	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H"	1.007276
"136707"	167.070276	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"580279"	250.101776	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1051756"	84.038776	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"218439"	111.715942666667	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"655813"	167.070276	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1173939"	56.3616093333333	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"436118"	350.159823	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"794925"	516.222823	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1692346"	184.096823	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"341721"	175.5835495	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"735965"	258.6150495	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1490878"	92.5520495	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"407981"	355.115218	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"768977"	521.178218	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1617440"	189.052218	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"329304"	178.061247	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"721971"	261.092747	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1476035"	95.029747	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1067700"	63.6889233333333	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1272216"	199.096486	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"390986"	371.089158	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"753321"	537.152158	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1553307"	205.026158	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+K"	38.963158
"312914"	186.048217	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"701443"	269.079717	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1454171"	103.016717	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"242772"	374.159826	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1219854"	208.096826	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1198267"	104.552051	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"191502"	377.09716	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"630699"	543.16016	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1131897"	211.03416	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"173133"	189.052218	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"613408"	272.083718	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1116555"	106.020718	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1401903"	71.0162373333333	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1430290"	213.075746	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"221526"	194.08524	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1509712"	227.12779	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"410372"	197.039188	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"770633"	280.070688	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1668792"	114.007688	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"252523"	396.141768	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1234590"	230.078768	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1722385"	230.102293	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1189924"	78.3435513333333	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1664804"	235.057688	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"172393"	409.04504	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"609893"	575.10804	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1096223"	242.98204	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"151947"	205.026158	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"590415"	288.057658	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1072739"	121.994658	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1107042"	244.996592	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1350353"	245.084207	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1014144"	249.123376	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1533362"	250.117008	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"998716"	125.065326	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1596496"	251.031628	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1423248"	281.063138	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1155726"	145.578601	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1703089"	298.089685	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1638741"	303.04508	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1582052"	319.01902	"C01198"	"3-(2-Hydroxyphenyl)propanoate;2-Hydroxyphenylpropanoate;3-(2-Hydroxyphenyl)propionic acid;Melilotate;3-(2-Hydroxyphenyl)propionate"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"816559"	715.1728	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M"	0
"987047"	696.15441	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-H2O-H"	-19.01839
"73105"	475.774590666667	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M-3H"	-3.021828
"517040"	714.165524	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M-3H"	-3.021828
"894478"	237.383657333333	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-3H"	-3.021828
"10138"	714.165524	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M-2H"	-2.014552
"450791"	1071.751924	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M-2H"	-2.014552
"818996"	356.579124	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-2H"	-2.014552
"87495"	1429.338324	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M-H"	-1.007276
"527057"	2144.511124	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M-H"	-1.007276
"901575"	714.165524	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-H"	-1.007276
"54857"	1446.364871	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M-2H+NH4"	16.019271
"492232"	2161.537671	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M-2H+NH4"	16.019271
"874407"	731.192071	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-2H+NH4"	16.019271
"45586"	1451.320266	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M-2H+Na"	20.974666
"482960"	2166.493066	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M-2H+Na"	20.974666
"860765"	736.147466	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-2H+Na"	20.974666
"1631390"	736.147466	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Na-2H"	20.974666
"105737"	732.153863	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M-H+Cl"	33.962126
"542016"	1089.740263	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M-H+Cl"	33.962126
"928234"	374.567463	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-H+Cl"	33.962126
"279564"	1465.315002	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+Cl"	34.969402
"673079"	2180.487802	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+Cl"	34.969402
"1287549"	750.142202	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Cl"	34.969402
"30843"	1467.294206	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M-2H+K"	36.948606
"469787"	2182.467006	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M-2H+K"	36.948606
"841027"	752.121406	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-2H+K"	36.948606
"1561235"	752.121406	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+K-2H"	36.948606
"953493"	760.170994	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-H+HCOOH"	44.998194
"370615"	1475.343801	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+HCOOH-H"	44.998201
"354135"	1489.359451	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+Hac-H"	59.013851
"1504428"	774.186651	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Hac-H"	59.013851
"960671"	782.152951	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-H+NaCOOH"	66.980151
"116502"	750.142202	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+2Cl"	69.938804
"552780"	1107.728602	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+2Cl"	69.938804
"1022310"	392.555802	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2Cl"	69.938804
"1242007"	794.091685	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Br"	78.918885
"1306157"	796.147672	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Cl+HCOOH"	80.974872
"1321468"	818.129629	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Cl+NaCOOH"	102.956829
"913984"	828.158386	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M-H+CF3COOH"	112.985586
"1288869"	864.135064	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Cl+CF3COOH"	148.962264
"1369222"	680.160124	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H-2H2O"	-35.012676
"1385262"	698.1701	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H-H2O"	-17.0027
"294063"	1431.352876	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+H"	1.007276
"688674"	2146.525676	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+H"	1.007276
"1365023"	716.180076	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H"	1.007276
"140952"	716.180076	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+2H"	2.014552
"580392"	1073.766476	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+2H"	2.014552
"1045179"	358.593676	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2H"	2.014552
"215267"	477.789142666667	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+3H"	3.021828
"654830"	716.180076	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+3H"	3.021828
"1171861"	239.398209333333	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+3H"	3.021828
"435134"	1448.379423	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+NH4"	18.033823
"792848"	2163.552223	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+NH4"	18.033823
"1694283"	733.206623	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+NH4"	18.033823
"345363"	724.6933495	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+H+NH4"	19.041099
"737535"	1082.2797495	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+H+NH4"	19.041099
"1492493"	367.1069495	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H+NH4"	19.041099
"408295"	1453.334818	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+Na"	22.989218
"769412"	2168.507618	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+Na"	22.989218
"1617310"	738.162018	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Na"	22.989218
"327711"	727.171047	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+H+Na"	23.996494
"717218"	1084.757447	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+H+Na"	23.996494
"1472132"	369.584647	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H+Na"	23.996494
"1067324"	246.725523333333	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2H+Na"	25.00377
"1271428"	748.206286	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+CH3OH+H"	33.033486
"390004"	1469.308758	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+K"	38.963158
"748810"	2184.481558	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+K"	38.963158
"1550861"	754.135958	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+K"	38.963158
"306943"	735.158017	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+H+K"	39.970434
"693896"	1092.744417	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+H+K"	39.970434
"1448080"	377.571617	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H+K"	39.970434
"238508"	1472.379426	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+ACN+H"	42.033826
"1214494"	757.206626	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+ACN+H"	42.033826
"1197283"	379.106951	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+ACN+2H"	43.041102
"192704"	1475.31676	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+2Na-H"	44.97116
"630200"	2190.48956	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+2Na-H"	44.97116
"1133583"	760.14396	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2Na-H"	44.97116
"174080"	738.162018	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+2Na"	45.978436
"614002"	1095.748418	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+2Na"	45.978436
"1115935"	380.575618	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2Na"	45.978436
"1400922"	254.052837333333	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H+2Na"	46.985712
"1435226"	762.185546	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H+HCOOH"	47.012746
"227110"	743.19504	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+3H2O+2H"	56.04448
"1511891"	776.23759	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+IsoProp+H"	61.06479
"411576"	746.148988	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+Na+K"	61.952376
"778049"	1103.735388	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+Na+K"	61.952376
"1671099"	388.562588	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Na+K"	61.952376
"257619"	1494.361368	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+ACN+Na"	64.015768
"1233610"	779.188568	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+ACN+Na"	64.015768
"1727601"	779.212093	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+NH4+HCOOH"	64.039293
"1187850"	261.380151333333	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+3Na"	68.967654
"1659932"	784.167488	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Na+HCOOH"	68.994688
"164605"	1507.26464	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+2K-H"	76.91904
"603073"	2222.43744	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+2K-H"	76.91904
"1097425"	792.09184	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2K-H"	76.91904
"148776"	754.135958	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"2M+2K"	77.926316
"587243"	1111.722358	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"3M+2K"	77.926316
"1076130"	396.549558	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2K"	77.926316
"1111526"	794.106392	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2K+H"	78.933592
"1346817"	794.194007	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+DMSO+H"	79.021207
"1010974"	798.233176	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2ACN+H"	83.060376
"1529097"	799.226808	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+IsoProp+Na+H"	84.054008
"997732"	399.620226	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+2ACN+2H"	84.067652
"1595516"	800.141428	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+K+HCOOH"	84.968628
"1421175"	830.172938	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+H+CF3COOH"	115.000138
"1155835"	420.133501	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+3ACN+2H"	125.094202
"1699190"	847.199485	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+NH4+CF3COOH"	132.026685
"1637761"	852.15488	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+Na+CF3COOH"	136.98208
"1575603"	868.12882	"C01201"	"N(omega)-(ADP-D-ribosyl)-L-arginine;Nomega-(ADP-D-ribosyl)-L-arginine"	"C21H35N9O15P2"	"715.1728"	"M+K+CF3COOH"	152.95602
"802688"	659.8614	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M"	0
"980595"	640.84301	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-H2O-H"	-19.01839
"67746"	438.900324	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M-3H"	-3.021828
"514963"	658.854124	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M-3H"	-3.021828
"889485"	218.946524	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-3H"	-3.021828
"6968"	658.854124	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M-2H"	-2.014552
"447622"	988.784824	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M-2H"	-2.014552
"821050"	328.923424	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-2H"	-2.014552
"88698"	1318.715524	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M-H"	-1.007276
"522790"	1978.576924	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M-H"	-1.007276
"900592"	658.854124	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-H"	-1.007276
"53872"	1335.742071	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M-2H+NH4"	16.019271
"498899"	1995.603471	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M-2H+NH4"	16.019271
"875611"	675.880671	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-2H+NH4"	16.019271
"42422"	1340.697466	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M-2H+Na"	20.974666
"484168"	2000.558866	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M-2H+Na"	20.974666
"861966"	680.836066	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-2H+Na"	20.974666
"1626034"	680.836066	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Na-2H"	20.974666
"99285"	676.842463	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M-H+Cl"	33.962126
"538851"	1006.773163	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M-H+Cl"	33.962126
"932366"	346.911763	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-H+Cl"	33.962126
"268368"	1354.692202	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+Cl"	34.969402
"673918"	2014.553602	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+Cl"	34.969402
"1287538"	694.830802	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Cl"	34.969402
"28877"	1356.671406	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M-2H+K"	36.948606
"471290"	2016.532806	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M-2H+K"	36.948606
"845511"	696.810006	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-2H+K"	36.948606
"1566448"	696.810006	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+K-2H"	36.948606
"955791"	704.859594	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-H+HCOOH"	44.998194
"371455"	1364.721001	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+HCOOH-H"	44.998201
"353150"	1378.736651	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+Hac-H"	59.013851
"1504538"	718.875251	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Hac-H"	59.013851
"964427"	726.841551	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-H+NaCOOH"	66.980151
"110540"	694.830802	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+2Cl"	69.938804
"550828"	1024.761502	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+2Cl"	69.938804
"1022419"	364.900102	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2Cl"	69.938804
"1242237"	738.780285	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Br"	78.918885
"1305052"	740.836272	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Cl+HCOOH"	80.974872
"1322307"	762.818229	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Cl+NaCOOH"	102.956829
"916649"	772.846986	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M-H+CF3COOH"	112.985586
"1291536"	808.823664	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Cl+CF3COOH"	148.962264
"1371518"	624.848724	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H-2H2O"	-35.012676
"1387555"	642.8587	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H-H2O"	-17.0027
"290890"	1320.730076	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+H"	1.007276
"681126"	1980.591476	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+H"	1.007276
"1365133"	660.868676	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H"	1.007276
"141226"	660.868676	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+2H"	2.014552
"576490"	990.799376	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+2H"	2.014552
"1052625"	330.937976	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2H"	2.014552
"219271"	440.914876	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+3H"	3.021828
"658220"	660.868676	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+3H"	3.021828
"1174159"	220.961076	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+3H"	3.021828
"438525"	1337.756623	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+NH4"	18.033823
"798429"	1997.618023	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+NH4"	18.033823
"1696911"	677.895223	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+NH4"	18.033823
"342672"	669.3819495	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+H+NH4"	19.041099
"738256"	999.3126495	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+H+NH4"	19.041099
"1490737"	339.4512495	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H+NH4"	19.041099
"404675"	1342.712018	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+Na"	22.989218
"765670"	2002.573418	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+Na"	22.989218
"1615955"	682.850618	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Na"	22.989218
"327085"	671.859647	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+H+Na"	23.996494
"721694"	1001.790347	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+H+Na"	23.996494
"1475763"	341.928947	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H+Na"	23.996494
"1062197"	228.28839	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2H+Na"	25.00377
"1271531"	692.894886	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+CH3OH+H"	33.033486
"389014"	1358.685958	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+K"	38.963158
"748922"	2018.547358	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+K"	38.963158
"1552798"	698.824558	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+K"	38.963158
"308148"	679.846617	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+H+K"	39.970434
"696195"	1009.777317	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+H+K"	39.970434
"1448920"	349.915917	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H+K"	39.970434
"238979"	1361.756626	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+ACN+H"	42.033826
"1213146"	701.895226	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+ACN+H"	42.033826
"1195691"	351.451251	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+ACN+2H"	43.041102
"189290"	1364.69396	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+2Na-H"	44.97116
"629944"	2024.55536	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+2Na-H"	44.97116
"1133084"	704.83256	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2Na-H"	44.97116
"173826"	682.850618	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+2Na"	45.978436
"613989"	1012.781318	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+2Na"	45.978436
"1116286"	352.919918	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2Na"	45.978436
"1400300"	235.615704	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H+2Na"	46.985712
"1433148"	706.874146	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H+HCOOH"	47.012746
"223940"	687.88364	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+3H2O+2H"	56.04448
"1512000"	720.92619	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+IsoProp+H"	61.06479
"412783"	690.837588	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+Na+K"	61.952376
"772689"	1020.768288	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+Na+K"	61.952376
"1672303"	360.906888	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Na+K"	61.952376
"257729"	1383.738568	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+ACN+Na"	64.015768
"1235907"	723.877168	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+ACN+Na"	64.015768
"1721514"	723.900693	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+NH4+HCOOH"	64.039293
"1190150"	242.943018	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+3Na"	68.967654
"1654574"	728.856088	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Na+HCOOH"	68.994688
"162528"	1396.64184	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+2K-H"	76.91904
"603181"	2056.50324	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+2K-H"	76.91904
"1097535"	736.78044	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2K-H"	76.91904
"148884"	698.824558	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"2M+2K"	77.926316
"586259"	1028.755258	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"3M+2K"	77.926316
"1077332"	368.893858	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2K"	77.926316
"1112728"	738.794992	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2K+H"	78.933592
"1344739"	738.882607	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+DMSO+H"	79.021207
"1013271"	742.921776	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2ACN+H"	83.060376
"1538926"	743.915408	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+IsoProp+Na+H"	84.054008
"1003917"	371.964526	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+2ACN+2H"	84.067652
"1597813"	744.830028	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+K+HCOOH"	84.968628
"1421284"	774.861538	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+H+CF3COOH"	115.000138
"1157040"	392.477801	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+3ACN+2H"	125.094202
"1701125"	791.888085	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+NH4+CF3COOH"	132.026685
"1638968"	796.84348	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+Na+CF3COOH"	136.98208
"1582275"	812.81742	"C01204"	"Phytic acid;Phytate;myo-Inositol hexakisphosphate;1D-myo-Inositol 123456-hexakisphosphate;D-myo-Inositol 123456-hexakisphosphate;myo-Inositol 123456-hexakisphosphate;Inositol 123456-hexakisphosphate;1D-myo-Inositol hexakisphosphate"	"C6H18O24P6"	"659.8614"	"M+K+CF3COOH"	152.95602
"802919"	103.0633	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M"	0
"979613"	84.04491	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"75512"	67.7015906666667	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"518315"	102.056024	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"889595"	33.3471573333333	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"13639"	102.056024	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"448825"	153.587674	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"821160"	50.524374	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"90995"	205.119324	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"529463"	308.182624	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"903983"	102.056024	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"57266"	222.145871	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"497916"	325.209171	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"876816"	119.082571	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"44718"	227.101266	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"483915"	330.164566	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"862077"	124.037966	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1628331"	124.037966	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"99395"	120.044363	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"538961"	171.576013	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"929560"	68.512713	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"271032"	241.096002	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"668924"	344.159302	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1288429"	138.032702	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"31017"	243.075206	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"471204"	346.138506	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"847935"	140.011906	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1568017"	140.011906	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"954443"	148.061494	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"371565"	251.124801	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"356905"	265.140451	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1501363"	162.077151	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"969636"	170.043451	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"120004"	138.032702	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"557379"	189.564352	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1022043"	86.501052	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1243572"	181.982185	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1311484"	184.038172	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1322056"	206.020129	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"913480"	216.048886	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1292377"	252.025564	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1371630"	68.050624	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1386939"	86.0606	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"291000"	207.133876	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"681236"	310.197176	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1365972"	104.070576	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"141218"	104.070576	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"578787"	155.602226	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1050502"	52.538926	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"218772"	69.7161426666667	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"657236"	104.070576	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1176822"	35.3617093333333	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"438636"	224.160423	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"798174"	327.223723	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1696820"	121.097123	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"343146"	112.5838495	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"738373"	164.1154995	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1492619"	61.0521995	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"408150"	229.115818	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"769630"	332.179118	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1618012"	126.052518	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"327195"	115.061547	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"722170"	166.593197	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1476561"	63.529897	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1067412"	42.6890233333333	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1270186"	136.096786	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"389125"	245.089758	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"750129"	348.153058	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1551086"	142.026458	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"309353"	123.048517	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"696307"	174.580167	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1454501"	71.516867	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"239822"	248.160426	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1212892"	145.097126	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1197506"	73.052201	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"190740"	251.09776	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"630662"	354.16106	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1133441"	148.03446	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"173209"	126.052518	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"615203"	177.584168	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1119804"	74.520868	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1400411"	50.0163373333333	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1432893"	150.076046	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"229517"	131.08554	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1514296"	164.12809	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"412896"	134.039488	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"780453"	185.571138	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1670224"	82.507838	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"260025"	270.142368	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1232736"	167.079068	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1721622"	167.102593	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1189163"	57.3436513333333	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1664524"	172.057988	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"168105"	283.04564	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"606573"	386.10894	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1098738"	179.98234	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"156166"	142.026458	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"590741"	193.558108	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1072338"	90.494808	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1110649"	181.996892	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1339382"	182.084507	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1015565"	186.123676	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1536969"	187.117308	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"1000138"	93.565476	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1596829"	188.031928	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1421394"	218.063438	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1157149"	114.078751	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1701235"	235.089985	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1637986"	240.04538	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1582385"	256.01932	"C01205"	"(R)-3-Amino-2-methylpropanoate;(R)-3-Aminoisobutyrate;D-3-Aminoisobutanoate;(R)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"802908"	198.0528	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M"	0
"977535"	179.03441	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-H2O-H"	-19.01839
"65414"	131.027924	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M-3H"	-3.021828
"512995"	197.045524	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M-3H"	-3.021828
"887517"	65.010324	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-3H"	-3.021828
"13749"	197.045524	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M-2H"	-2.014552
"448935"	296.071924	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M-2H"	-2.014552
"823458"	98.019124	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-2H"	-2.014552
"87826"	395.098324	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M-H"	-1.007276
"527386"	593.151124	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M-H"	-1.007276
"904094"	197.045524	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-H"	-1.007276
"54095"	412.124871	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M-2H+NH4"	16.019271
"498027"	610.177671	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M-2H+NH4"	16.019271
"876923"	214.072071	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-2H+NH4"	16.019271
"43004"	417.080266	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M-2H+Na"	20.974666
"484748"	615.133066	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M-2H+Na"	20.974666
"858906"	219.027466	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-2H+Na"	20.974666
"1620056"	219.027466	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Na-2H"	20.974666
"96223"	215.033863	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M-H+Cl"	33.962126
"534815"	314.060263	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M-H+Cl"	33.962126
"927262"	116.007463	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-H+Cl"	33.962126
"272237"	431.075002	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+Cl"	34.969402
"670128"	629.127802	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+Cl"	34.969402
"1284719"	233.022202	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Cl"	34.969402
"30556"	433.054206	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M-2H+K"	36.948606
"466837"	631.107006	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M-2H+K"	36.948606
"841358"	235.001406	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-2H+K"	36.948606
"1562659"	235.001406	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+K-2H"	36.948606
"948354"	243.050994	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-H+HCOOH"	44.998194
"364383"	441.103801	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+HCOOH-H"	44.998201
"354828"	455.119451	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+Hac-H"	59.013851
"1498191"	257.066651	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Hac-H"	59.013851
"962819"	265.032951	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-H+NaCOOH"	66.980151
"120111"	233.022202	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+2Cl"	69.938804
"558577"	332.048602	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+2Cl"	69.938804
"1034306"	133.995802	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2Cl"	69.938804
"1253155"	276.971685	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Br"	78.918885
"1314874"	279.027672	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Cl+HCOOH"	80.974872
"1324717"	301.009629	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Cl+NaCOOH"	102.956829
"913590"	311.038386	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M-H+CF3COOH"	112.985586
"1293580"	347.015064	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Cl+CF3COOH"	148.962264
"1373927"	163.040124	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H-2H2O"	-35.012676
"1390329"	181.0501	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H-H2O"	-17.0027
"291110"	397.112876	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+H"	1.007276
"684626"	595.165676	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+H"	1.007276
"1362072"	199.060076	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H"	1.007276
"139700"	199.060076	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+2H"	2.014552
"578897"	298.086476	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+2H"	2.014552
"1050612"	100.033676	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2H"	2.014552
"219968"	133.042476	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+3H"	3.021828
"658075"	199.060076	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+3H"	3.021828
"1177296"	67.024876	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+3H"	3.021828
"437287"	414.139423	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+NH4"	18.033823
"800840"	612.192223	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+NH4"	18.033823
"1696648"	216.086623	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+NH4"	18.033823
"342161"	207.5733495	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+H+NH4"	19.041099
"738450"	306.5997495	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+H+NH4"	19.041099
"1492706"	108.5469495	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H+NH4"	19.041099
"407082"	419.094818	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+Na"	22.989218
"768686"	617.147618	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+Na"	22.989218
"1616175"	221.042018	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Na"	22.989218
"328277"	210.051047	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+H+Na"	23.996494
"719727"	309.077447	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+H+Na"	23.996494
"1473551"	111.024647	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H+Na"	23.996494
"1064605"	74.35219	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2H+Na"	25.00377
"1270296"	231.086286	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+CH3OH+H"	33.033486
"385955"	435.068758	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+K"	38.963158
"749145"	633.121558	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+K"	38.963158
"1553379"	237.015958	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+K"	38.963158
"307276"	218.038017	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+H+K"	39.970434
"697511"	317.064417	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+H+K"	39.970434
"1452426"	119.011617	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H+K"	39.970434
"239932"	438.139426	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+ACN+H"	42.033826
"1210694"	240.086626	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+ACN+H"	42.033826
"1195430"	120.546951	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+ACN+2H"	43.041102
"190482"	441.07676	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+2Na-H"	44.97116
"630771"	639.12956	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+2Na-H"	44.97116
"1132821"	243.02396	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2Na-H"	44.97116
"174289"	221.042018	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+2Na"	45.978436
"613491"	320.068418	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+2Na"	45.978436
"1118091"	122.015618	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2Na"	45.978436
"1399427"	81.679504	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H+2Na"	46.985712
"1429902"	245.065546	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H+HCOOH"	47.012746
"228534"	226.07504	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+3H2O+2H"	56.04448
"1511490"	259.11759	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+IsoProp+H"	61.06479
"410452"	229.028988	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+Na+K"	61.952376
"773269"	328.055388	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+Na+K"	61.952376
"1673613"	130.002588	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Na+K"	61.952376
"262321"	460.121368	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+ACN+Na"	64.015768
"1233938"	262.068568	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+ACN+Na"	64.015768
"1717722"	262.092093	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+NH4+HCOOH"	64.039293
"1187085"	89.006818	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+3Na"	68.967654
"1664634"	267.047488	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Na+HCOOH"	68.994688
"167122"	473.02464	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+2K-H"	76.91904
"605589"	671.07744	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+2K-H"	76.91904
"1094475"	274.97184	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2K-H"	76.91904
"150196"	237.015958	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"2M+2K"	77.926316
"587573"	336.042358	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"3M+2K"	77.926316
"1073541"	137.989558	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2K"	77.926316
"1109665"	276.986392	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2K+H"	78.933592
"1339492"	277.074007	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+DMSO+H"	79.021207
"1016769"	281.113176	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2ACN+H"	83.060376
"1538052"	282.106808	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+IsoProp+Na+H"	84.054008
"1003527"	141.060226	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+2ACN+2H"	84.067652
"1592564"	283.021428	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+K+HCOOH"	84.968628
"1420411"	313.052938	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+H+CF3COOH"	115.000138
"1157259"	161.573501	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+3ACN+2H"	125.094202
"1701345"	330.079485	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+NH4+CF3COOH"	132.026685
"1641376"	335.03488	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+Na+CF3COOH"	136.98208
"1582495"	351.00882	"C01207"	"3-(34-Dihydroxyphenyl)lactate;34-Dihydroxyphenyllactic acid"	"C9H10O5"	"198.0528"	"M+K+CF3COOH"	152.95602
"803019"	155.0347	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M"	0
"983115"	136.01631	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-H2O-H"	-19.01839
"65889"	102.349190666667	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M-3H"	-3.021828
"508730"	154.027424	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M-3H"	-3.021828
"889815"	50.6709573333333	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-3H"	-3.021828
"13498"	154.027424	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H"	-2.014552
"449047"	231.544774	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H"	-2.014552
"819200"	76.510074	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-2H"	-2.014552
"87937"	309.062124	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M-H"	-1.007276
"522030"	464.096824	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M-H"	-1.007276
"898739"	154.027424	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-H"	-1.007276
"54205"	326.088671	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+NH4"	16.019271
"493765"	481.123371	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+NH4"	16.019271
"874845"	171.053971	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+NH4"	16.019271
"41653"	331.044066	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+Na"	20.974666
"484130"	486.078766	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+Na"	20.974666
"854641"	176.009366	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+Na"	20.974666
"1618525"	176.009366	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Na-2H"	20.974666
"96330"	172.015763	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M-H+Cl"	33.962126
"538086"	249.533113	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M-H+Cl"	33.962126
"930508"	94.498413	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-H+Cl"	33.962126
"274536"	345.038802	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+Cl"	34.969402
"673402"	500.073502	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+Cl"	34.969402
"1283736"	190.004102	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl"	34.969402
"30429"	347.018006	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+K"	36.948606
"462572"	502.052706	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+K"	36.948606
"843656"	191.983306	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+K"	36.948606
"1568239"	191.983306	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+K-2H"	36.948606
"949560"	200.032894	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-H+HCOOH"	44.998194
"367775"	355.067601	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+HCOOH-H"	44.998201
"351658"	369.083251	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+Hac-H"	59.013851
"1497210"	214.048551	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Hac-H"	59.013851
"962566"	222.014851	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-H+NaCOOH"	66.980151
"118034"	190.004102	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Cl"	69.938804
"560878"	267.521452	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Cl"	69.938804
"1033687"	112.486752	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2Cl"	69.938804
"1251440"	233.953585	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Br"	78.918885
"1304448"	236.009572	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+HCOOH"	80.974872
"1320022"	257.991529	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+NaCOOH"	102.956829
"912240"	268.020286	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M-H+CF3COOH"	112.985586
"1292595"	303.996964	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+CF3COOH"	148.962264
"1371849"	120.022024	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H-2H2O"	-35.012676
"1391532"	138.032	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H-H2O"	-17.0027
"290126"	311.076676	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+H"	1.007276
"681457"	466.111376	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+H"	1.007276
"1362182"	156.041976	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H"	1.007276
"139082"	156.041976	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+2H"	2.014552
"574633"	233.559326	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+2H"	2.014552
"1051816"	78.524626	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2H"	2.014552
"216804"	104.363742666667	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+3H"	3.021828
"658187"	156.041976	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+3H"	3.021828
"1175218"	52.6855093333333	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+3H"	3.021828
"433387"	328.103223	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+NH4"	18.033823
"799122"	483.137923	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+NH4"	18.033823
"1694358"	173.068523	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4"	18.033823
"342272"	164.5552495	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+NH4"	19.041099
"737903"	242.0725995	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+NH4"	19.041099
"1492282"	87.0378995	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H+NH4"	19.041099
"403912"	333.058618	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+Na"	22.989218
"765999"	488.093318	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+Na"	22.989218
"1614097"	178.023918	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Na"	22.989218
"325228"	167.032947	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+Na"	23.996494
"716557"	244.550297	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+Na"	23.996494
"1469286"	89.515597	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H+Na"	23.996494
"1058157"	60.0128233333333	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2H+Na"	25.00377
"1265302"	188.068186	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+CH3OH+H"	33.033486
"384971"	349.032558	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+K"	38.963158
"751436"	504.067258	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+K"	38.963158
"1545839"	193.997858	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+K"	38.963158
"300826"	175.019917	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+K"	39.970434
"695435"	252.537267	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+K"	39.970434
"1449256"	97.502567	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H+K"	39.970434
"236231"	352.103226	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+ACN+H"	42.033826
"1211286"	197.068526	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+H"	42.033826
"1195535"	99.037901	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+2H"	43.041102
"189501"	355.04056	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Na-H"	44.97116
"630516"	510.07526	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Na-H"	44.97116
"1134023"	200.00586	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2Na-H"	44.97116
"173671"	178.023918	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Na"	45.978436
"613066"	255.541268	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Na"	45.978436
"1116166"	100.506568	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2Na"	45.978436
"1400996"	67.3401373333333	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H+2Na"	46.985712
"1430561"	202.047446	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H+HCOOH"	47.012746
"226458"	183.05694	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+3H2O+2H"	56.04448
"1516707"	216.09949	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+IsoProp+H"	61.06479
"411655"	186.010888	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+Na+K"	61.952376
"773744"	263.528238	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+Na+K"	61.952376
"1670444"	108.493538	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+K"	61.952376
"261341"	374.085168	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+ACN+Na"	64.015768
"1234048"	219.050468	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+Na"	64.015768
"1717467"	219.073993	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4+HCOOH"	64.039293
"1189384"	74.6674513333333	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+3Na"	68.967654
"1655994"	224.029388	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+HCOOH"	68.994688
"166139"	386.98844	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+2K-H"	76.91904
"606792"	542.02314	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+2K-H"	76.91904
"1093490"	231.95374	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2K-H"	76.91904
"153226"	193.997858	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"2M+2K"	77.926316
"588776"	271.515208	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"3M+2K"	77.926316
"1073287"	116.480508	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2K"	77.926316
"1105403"	233.968292	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2K+H"	78.933592
"1341788"	234.055907	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+DMSO+H"	79.021207
"1015784"	238.095076	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2ACN+H"	83.060376
"1531722"	239.088708	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+IsoProp+Na+H"	84.054008
"992702"	119.551176	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+2ACN+2H"	84.067652
"1592673"	240.003328	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+K+HCOOH"	84.968628
"1416145"	270.034838	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+H+CF3COOH"	115.000138
"1147892"	140.064451	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+3ACN+2H"	125.094202
"1700362"	287.061385	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4+CF3COOH"	132.026685
"1641486"	292.01678	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+CF3COOH"	136.98208
"1582605"	307.99072	"C01210"	"N-Methylethanolamine phosphate"	"C3H10NO4P"	"155.0347"	"M+K+CF3COOH"	152.95602
"804223"	750.1398	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M"	0
"983225"	731.12141	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-H2O-H"	-19.01839
"69281"	499.085924	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M-3H"	-3.021828
"511029"	749.132524	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M-3H"	-3.021828
"886645"	249.039324	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-3H"	-3.021828
"13970"	749.132524	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M-2H"	-2.014552
"449158"	1124.202424	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M-2H"	-2.014552
"820403"	374.062624	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-2H"	-2.014552
"84768"	1499.272324	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M-H"	-1.007276
"523234"	2249.412124	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M-H"	-1.007276
"898849"	749.132524	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-H"	-1.007276
"54315"	1516.298871	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M-2H+NH4"	16.019271
"493874"	2266.438671	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M-2H+NH4"	16.019271
"871675"	766.159071	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-2H+NH4"	16.019271
"38484"	1521.254266	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M-2H+Na"	20.974666
"480230"	2271.394066	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M-2H+Na"	20.974666
"849037"	771.114466	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-2H+Na"	20.974666
"1618857"	771.114466	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Na-2H"	20.974666
"96444"	767.120863	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M-H+Cl"	33.962126
"534914"	1142.190763	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M-H+Cl"	33.962126
"928428"	392.050963	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-H+Cl"	33.962126
"269174"	1535.249002	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+Cl"	34.969402
"664148"	2285.388802	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+Cl"	34.969402
"1281659"	785.109202	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Cl"	34.969402
"20936"	1537.228206	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M-2H+K"	36.948606
"463777"	2287.368006	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M-2H+K"	36.948606
"840485"	787.088406	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-2H+K"	36.948606
"1559599"	787.088406	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+K-2H"	36.948606
"949669"	795.137994	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-H+HCOOH"	44.998194
"366793"	1545.277801	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+HCOOH-H"	44.998201
"350674"	1559.293451	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+Hac-H"	59.013851
"1495496"	809.153651	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Hac-H"	59.013851
"961212"	817.119951	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-H+NaCOOH"	66.980151
"113767"	785.109202	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+2Cl"	69.938804
"557703"	1160.179102	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+2Cl"	69.938804
"1027229"	410.039302	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2Cl"	69.938804
"1251548"	829.058685	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Br"	78.918885
"1311811"	831.114672	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Cl+HCOOH"	80.974872
"1330404"	853.096629	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Cl+NaCOOH"	102.956829
"913808"	863.125386	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M-H+CF3COOH"	112.985586
"1291613"	899.102064	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Cl+CF3COOH"	148.962264
"1370497"	715.127124	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H-2H2O"	-35.012676
"1390549"	733.1371	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H-H2O"	-17.0027
"286226"	1501.286876	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+H"	1.007276
"681567"	2251.426676	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+H"	1.007276
"1356822"	751.147076	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H"	1.007276
"138461"	751.147076	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+2H"	2.014552
"579115"	1126.216976	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+2H"	2.014552
"1052250"	376.077176	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2H"	2.014552
"219102"	501.100476	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+3H"	3.021828
"659308"	751.147076	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+3H"	3.021828
"1177153"	251.053876	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+3H"	3.021828
"435682"	1518.313423	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+NH4"	18.033823
"800326"	2268.453223	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+NH4"	18.033823
"1695926"	768.173623	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+NH4"	18.033823
"342747"	759.6603495	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+H+NH4"	19.041099
"737846"	1134.7302495	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+H+NH4"	19.041099
"1491905"	384.5904495	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H+NH4"	19.041099
"408405"	1523.268818	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+Na"	22.989218
"768297"	2273.408618	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+Na"	22.989218
"1610928"	773.129018	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Na"	22.989218
"324245"	762.138047	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+H+Na"	23.996494
"721040"	1137.207947	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+H+Na"	23.996494
"1469396"	387.068147	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H+Na"	23.996494
"1060454"	258.38119	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2H+Na"	25.00377
"1267601"	783.173286	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+CH3OH+H"	33.033486
"391644"	1539.242758	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+K"	38.963158
"750456"	2289.382558	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+K"	38.963158
"1551415"	789.102958	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+K"	38.963158
"305311"	770.125017	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+H+K"	39.970434
"698824"	1145.194917	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+H+K"	39.970434
"1449366"	395.055117	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H+K"	39.970434
"236870"	1542.313426	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+ACN+H"	42.033826
"1210673"	792.173626	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+ACN+H"	42.033826
"1194796"	396.590451	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+ACN+2H"	43.041102
"189733"	1545.25076	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+2Na-H"	44.97116
"630265"	2295.39056	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+2Na-H"	44.97116
"1133771"	795.11096	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2Na-H"	44.97116
"174023"	773.129018	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+2Na"	45.978436
"613502"	1148.198918	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+2Na"	45.978436
"1116119"	398.059118	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2Na"	45.978436
"1401107"	265.708504	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H+2Na"	46.985712
"1432129"	797.152546	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H+HCOOH"	47.012746
"225474"	778.16204	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+3H2O+2H"	56.04448
"1513538"	811.20459	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+IsoProp+H"	61.06479
"415413"	781.115988	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+Na+K"	61.952376
"776408"	1156.185888	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+Na+K"	61.952376
"1676021"	406.046088	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Na+K"	61.952376
"263637"	1564.295368	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+ACN+Na"	64.015768
"1238170"	814.155568	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+ACN+Na"	64.015768
"1720857"	814.179093	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+NH4+HCOOH"	64.039293
"1189492"	273.035818	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+3Na"	68.967654
"1662666"	819.134488	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Na+HCOOH"	68.994688
"169167"	1577.19864	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+2K-H"	76.91904
"610546"	2327.33844	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+2K-H"	76.91904
"1097731"	827.05884	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2K-H"	76.91904
"152973"	789.102958	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"2M+2K"	77.926316
"587793"	1164.172858	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"3M+2K"	77.926316
"1075584"	414.033058	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2K"	77.926316
"1109887"	829.073392	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2K+H"	78.933592
"1344085"	829.161007	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+DMSO+H"	79.021207
"1018081"	833.200176	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2ACN+H"	83.060376
"1528553"	834.193808	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+IsoProp+Na+H"	84.054008
"995000"	417.103726	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+2ACN+2H"	84.067652
"1599344"	835.108428	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+K+HCOOH"	84.968628
"1416255"	865.139938	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+H+CF3COOH"	115.000138
"1148003"	437.617001	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+3ACN+2H"	125.094202
"1698289"	882.166485	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+NH4+CF3COOH"	132.026685
"1641596"	887.12188	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+Na+CF3COOH"	136.98208
"1573969"	903.09582	"C01212"	"UDP-N-acetylmuramoyl-L-alanine;UDP-N-acetyl-alpha-D-muramoyl-L-alanine"	"C23H36N4O20P2"	"750.1398"	"M+K+CF3COOH"	152.95602
"807613"	867.1313	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M"	0
"976771"	848.11291	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H2O-H"	-19.01839
"65015"	577.080257333333	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-3H"	-3.021828
"512232"	866.124024	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-3H"	-3.021828
"887848"	288.036490666667	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-3H"	-3.021828
"14447"	866.124024	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H"	-2.014552
"450363"	1299.689674	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H"	-2.014552
"821607"	432.558374	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H"	-2.014552
"82690"	1733.255324	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-H"	-1.007276
"522249"	2600.386624	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-H"	-1.007276
"898958"	866.124024	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H"	-1.007276
"57705"	1750.281871	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+NH4"	16.019271
"493984"	2617.413171	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+NH4"	16.019271
"871786"	883.150571	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+NH4"	16.019271
"36407"	1755.237266	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+Na"	20.974666
"481434"	2622.368566	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+Na"	20.974666
"849264"	888.105966	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+Na"	20.974666
"1619899"	888.105966	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na-2H"	20.974666
"95701"	884.112363	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-H+Cl"	33.962126
"535753"	1317.678013	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-H+Cl"	33.962126
"930361"	450.546713	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+Cl"	33.962126
"269648"	1769.232002	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Cl"	34.969402
"665716"	2636.363302	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Cl"	34.969402
"1282862"	902.100702	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl"	34.969402
"28701"	1771.211206	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+K"	36.948606
"466075"	2638.342506	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+K"	36.948606
"841689"	904.079906	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+K"	36.948606
"1559708"	904.079906	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K-2H"	36.948606
"950872"	912.129494	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+HCOOH"	44.998194
"367997"	1779.260801	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+HCOOH-H"	44.998201
"350784"	1793.276451	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Hac-H"	59.013851
"1499618"	926.145151	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Hac-H"	59.013851
"962417"	934.111451	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+NaCOOH"	66.980151
"111322"	902.100702	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Cl"	69.938804
"553072"	1335.666352	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Cl"	69.938804
"1029895"	468.535052	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Cl"	69.938804
"1250567"	946.050185	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Br"	78.918885
"1316294"	948.106172	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+HCOOH"	80.974872
"1325042"	970.088129	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+NaCOOH"	102.956829
"913918"	980.116886	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+CF3COOH"	112.985586
"1298284"	1016.093564	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+CF3COOH"	148.962264
"1368420"	832.118624	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H-2H2O"	-35.012676
"1386648"	850.1286	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H-H2O"	-17.0027
"287064"	1735.269876	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H"	1.007276
"684959"	2602.401176	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H"	1.007276
"1364588"	868.138576	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H"	1.007276
"138570"	868.138576	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2H"	2.014552
"580322"	1301.704226	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2H"	2.014552
"1051674"	434.572926	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2H"	2.014552
"218119"	579.094809333333	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+3H"	3.021828
"658041"	868.138576	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+3H"	3.021828
"1175808"	290.051042666667	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3H"	3.021828
"439804"	1752.296423	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+NH4"	18.033823
"800439"	2619.427723	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+NH4"	18.033823
"1696853"	885.165123	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4"	18.033823
"345658"	876.6518495	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+NH4"	19.041099
"736372"	1310.2174995	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+NH4"	19.041099
"1491650"	443.0861995	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+NH4"	19.041099
"406318"	1757.251818	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Na"	22.989218
"765128"	2624.383118	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Na"	22.989218
"1612132"	890.120518	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na"	22.989218
"323262"	879.129547	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+Na"	23.996494
"717871"	1312.695197	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+Na"	23.996494
"1470599"	445.563897	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+Na"	23.996494
"1059469"	297.378356666667	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2H+Na"	25.00377
"1268805"	900.164786	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+CH3OH+H"	33.033486
"390299"	1773.225758	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+K"	38.963158
"750201"	2640.357058	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+K"	38.963158
"1548244"	906.094458	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K"	38.963158
"303234"	887.116517	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+K"	39.970434
"697840"	1320.682167	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+K"	39.970434
"1448381"	453.550867	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+K"	39.970434
"241356"	1776.296426	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+H"	42.033826
"1211148"	909.165126	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+H"	42.033826
"1195153"	455.086201	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+2H"	43.041102
"189479"	1779.23376	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na-H"	44.97116
"630374"	2646.36506	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na-H"	44.97116
"1132667"	912.10246	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Na-H"	44.97116
"174257"	890.120518	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na"	45.978436
"613448"	1323.686168	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na"	45.978436
"1118057"	456.554868	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Na"	45.978436
"1400489"	304.705670666667	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+2Na"	46.985712
"1435520"	914.144046	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+HCOOH"	47.012746
"224490"	895.15354	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+3H2O+2H"	56.04448
"1514741"	928.19609	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+H"	61.06479
"414430"	898.107488	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Na+K"	61.952376
"775425"	1331.673138	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Na+K"	61.952376
"1670663"	464.541838	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+K"	61.952376
"260465"	1798.278368	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+Na"	64.015768
"1233175"	931.147068	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+Na"	64.015768
"1720967"	931.170593	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+HCOOH"	64.039293
"1189602"	312.032984666667	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3Na"	68.967654
"1662776"	936.125988	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+HCOOH"	68.994688
"169639"	1811.18164	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2K-H"	76.91904
"607010"	2678.31294	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2K-H"	76.91904
"1096990"	944.05034	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K-H"	76.91904
"152715"	906.094458	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2K"	77.926316
"594462"	1339.660108	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2K"	77.926316
"1078974"	472.528808	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K"	77.926316
"1107810"	946.064892	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K+H"	78.933592
"1343102"	946.152507	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+DMSO+H"	79.021207
"1012724"	950.191676	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+H"	83.060376
"1529756"	951.185308	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+Na+H"	84.054008
"995111"	475.599476	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+2H"	84.067652
"1592893"	952.099928	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K+HCOOH"	84.968628
"1415272"	982.131438	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+CF3COOH"	115.000138
"1147748"	496.112751	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3ACN+2H"	125.094202
"1697066"	999.157985	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+CF3COOH"	132.026685
"1639517"	1004.11338	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+CF3COOH"	136.98208
"1574079"	1020.08732	"C01213"	"(R)-Methylmalonyl-CoA;L-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K+CF3COOH"	152.95602
"803350"	179.0794	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M"	0
"974695"	160.06101	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"63016"	118.378990666667	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"504686"	178.072124	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"887958"	58.6858573333333	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"14800"	178.072124	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"452659"	267.611824	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"824997"	88.532424	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"82800"	357.151524	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"522359"	536.230924	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"899068"	178.072124	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"55628"	374.178071	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"494094"	553.257471	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"871896"	195.098671	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"36517"	379.133466	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"479357"	558.212866	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"848509"	200.054066	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1619280"	200.054066	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"95566"	196.060463	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"536593"	285.600163	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"930107"	106.520763	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"271581"	393.128202	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"667286"	572.207602	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1281879"	214.048802	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"27718"	395.107406	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"466185"	574.186806	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"839610"	216.028006	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1559818"	216.028006	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"950982"	224.077594	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"368107"	403.157001	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"353080"	417.172651	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1498635"	238.093251	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"961435"	246.059551	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"111069"	214.048802	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"552818"	303.588502	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1023439"	124.509102	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1250675"	257.998285	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1310937"	260.054272	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1329525"	282.036229	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"913299"	292.064986	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1295113"	328.041664	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1367314"	144.066724	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1386394"	162.0767	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"283893"	359.166076	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"686162"	538.245476	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1364698"	180.086676	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"138680"	180.086676	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"581206"	269.626376	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1050691"	90.546976	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"217131"	120.393542666667	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"658151"	180.086676	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1177254"	60.7004093333333	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"439063"	376.192623	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"800549"	555.272023	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1696759"	197.113223	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"345403"	188.5999495	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"736118"	278.1396495	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1489573"	99.0602495	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"405335"	381.148018	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"765238"	560.227418	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1613335"	202.068618	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"326652"	191.077647	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"715794"	280.617347	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1470709"	101.537947	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1059579"	68.0277233333333	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1266728"	212.112886	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"390773"	397.121958	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"750675"	576.201358	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1548353"	218.042558	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"299455"	199.064617	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"697950"	288.604317	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1448490"	109.524917	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"239279"	400.192626	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1210527"	221.113226	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1195142"	111.060251	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"189953"	403.12996	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"630119"	582.20936	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1135085"	224.05056	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"175217"	202.068618	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"613195"	291.608318	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1115977"	112.528918	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1398772"	75.3550373333333	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1432714"	226.092146	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"222776"	207.10164	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1513758"	240.14419	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"413445"	210.055588	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"773349"	299.595288	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1669315"	120.515888	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"255471"	422.174568	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1236565"	243.095168	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1723263"	243.118693	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1189711"	82.6823513333333	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1661792"	248.074088	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"169749"	435.07784	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"607120"	614.15724	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1094913"	255.99844	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"152824"	218.042558	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"593479"	307.582258	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1079084"	128.502858	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1107920"	258.012992	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1346492"	258.100607	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1016114"	262.139776	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1529866"	263.133408	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"997408"	131.573526	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1593003"	264.048028	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1418663"	294.079538	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1148225"	152.086801	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1697085"	311.106085	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1636347"	316.06148	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1574189"	332.03542	"C01214"	"1-Amino-1-deoxy-scyllo-inositol;scyllo-Inosamine"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"803460"	187.0481	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M"	0
"980273"	168.02971	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-H2O-H"	-19.01839
"69611"	123.691457333333	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M-3H"	-3.021828
"506984"	186.040824	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M-3H"	-3.021828
"888068"	61.3420906666667	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-3H"	-3.021828
"14910"	186.040824	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M-2H"	-2.014552
"451676"	279.564874	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M-2H"	-2.014552
"819638"	92.516774	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-2H"	-2.014552
"83275"	373.088924	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M-H"	-1.007276
"521377"	560.137024	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M-H"	-1.007276
"901366"	186.040824	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-H"	-1.007276
"57926"	390.115471	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M-2H+NH4"	16.019271
"498944"	577.163571	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M-2H+NH4"	16.019271
"872007"	203.067371	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-2H+NH4"	16.019271
"38815"	395.070866	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M-2H+Na"	20.974666
"481655"	582.118966	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M-2H+Na"	20.974666
"848514"	208.022766	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-2H+Na"	20.974666
"1618660"	208.022766	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Na-2H"	20.974666
"94745"	204.029163	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M-H+Cl"	33.962126
"540710"	297.553213	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M-H+Cl"	33.962126
"929123"	110.505113	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-H+Cl"	33.962126
"271328"	409.065602	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+Cl"	34.969402
"664844"	596.113702	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+Cl"	34.969402
"1284178"	222.017502	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Cl"	34.969402
"26734"	411.044806	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M-2H+K"	36.948606
"466295"	598.092906	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M-2H+K"	36.948606
"841906"	223.996706	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-2H+K"	36.948606
"1563210"	223.996706	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+K-2H"	36.948606
"952186"	232.046294	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-H+HCOOH"	44.998194
"368218"	419.094401	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+HCOOH-H"	44.998201
"354286"	433.110051	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+Hac-H"	59.013851
"1498745"	246.061951	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Hac-H"	59.013851
"964099"	254.028251	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-H+NaCOOH"	66.980151
"113003"	222.017502	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+2Cl"	69.938804
"552564"	315.541552	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+2Cl"	69.938804
"1029021"	128.493452	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2Cl"	69.938804
"1249692"	265.966985	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Br"	78.918885
"1309954"	268.022972	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Cl+HCOOH"	80.974872
"1330728"	290.004929	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Cl+NaCOOH"	102.956829
"915234"	300.033686	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M-H+CF3COOH"	112.985586
"1296316"	336.010364	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Cl+CF3COOH"	148.962264
"1368278"	152.035424	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H-2H2O"	-35.012676
"1385411"	170.0454	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H-H2O"	-17.0027
"284003"	375.103476	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+H"	1.007276
"689551"	562.151576	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+H"	1.007276
"1364808"	188.055376	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H"	1.007276
"138792"	188.055376	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+2H"	2.014552
"579452"	281.579426	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+2H"	2.014552
"1051167"	94.531326	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2H"	2.014552
"217121"	125.706009333333	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+3H"	3.021828
"658267"	188.055376	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+3H"	3.021828
"1177610"	63.3566426666667	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+3H"	3.021828
"438323"	392.130023	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+NH4"	18.033823
"799562"	579.178123	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+NH4"	18.033823
"1696141"	205.081923	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+NH4"	18.033823
"345681"	196.5686495	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+H+NH4"	19.041099
"737081"	290.0926995	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+H+NH4"	19.041099
"1491387"	103.0445995	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H+NH4"	19.041099
"398887"	397.085418	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+Na"	22.989218
"767171"	584.133518	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+Na"	22.989218
"1611259"	210.037318	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Na"	22.989218
"321296"	199.046347	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+H+Na"	23.996494
"716999"	292.570397	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+H+Na"	23.996494
"1469728"	105.522297	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H+Na"	23.996494
"1061878"	70.6839566666667	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2H+Na"	25.00377
"1265745"	220.081586	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+CH3OH+H"	33.033486
"390883"	413.059358	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+K"	38.963158
"751517"	600.107458	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+K"	38.963158
"1546277"	226.011258	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+K"	38.963158
"302361"	207.033317	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+H+K"	39.970434
"693687"	300.557367	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+H+K"	39.970434
"1445803"	113.509267	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H+K"	39.970434
"238294"	416.130026	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+ACN+H"	42.033826
"1210558"	229.081926	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+ACN+H"	42.033826
"1194927"	115.044601	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+ACN+2H"	43.041102
"188652"	419.06736	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+2Na-H"	44.97116
"629624"	606.11546	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+2Na-H"	44.97116
"1131418"	232.01926	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2Na-H"	44.97116
"174233"	210.037318	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+2Na"	45.978436
"612847"	303.561368	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+2Na"	45.978436
"1116041"	116.513268	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2Na"	45.978436
"1400098"	78.0112706666667	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H+2Na"	46.985712
"1430181"	234.060846	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H+HCOOH"	47.012746
"223981"	215.07034	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+3H2O+2H"	56.04448
"1517149"	248.11289	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+IsoProp+H"	61.06479
"413555"	218.024288	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+Na+K"	61.952376
"776737"	311.548338	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+Na+K"	61.952376
"1669790"	124.500238	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Na+K"	61.952376
"256310"	438.111968	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+ACN+Na"	64.015768
"1236673"	251.063868	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+ACN+Na"	64.015768
"1721188"	251.087393	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+NH4+HCOOH"	64.039293
"1187635"	85.3385846666667	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+3Na"	68.967654
"1656433"	256.042788	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Na+HCOOH"	68.994688
"167673"	451.01524	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+2K-H"	76.91904
"611243"	638.06334	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+2K-H"	76.91904
"1096119"	263.96714	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2K-H"	76.91904
"155000"	226.011258	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"2M+2K"	77.926316
"594685"	319.535308	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"3M+2K"	77.926316
"1079196"	132.487208	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2K"	77.926316
"1110218"	265.981692	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2K+H"	78.933592
"1347696"	266.069307	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+DMSO+H"	79.021207
"1012945"	270.108476	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2ACN+H"	83.060376
"1533258"	271.102108	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+IsoProp+Na+H"	84.054008
"999705"	135.557876	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+2ACN+2H"	84.067652
"1595302"	272.016728	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+K+HCOOH"	84.968628
"1417680"	302.048238	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+H+CF3COOH"	115.000138
"1148335"	156.071151	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+3ACN+2H"	125.094202
"1699709"	319.074785	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+NH4+CF3COOH"	132.026685
"1634996"	324.03018	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+Na+CF3COOH"	136.98208
"1574299"	340.00412	"C01215"	"2-(Acetamidomethylene)succinate"	"C7H9NO5"	"187.0481"	"M+K+CF3COOH"	152.95602
"813047"	178.0477	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M"	0
"985851"	159.02931	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"75187"	117.691190666667	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"508187"	177.040424	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"888175"	58.3419573333333	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"12226"	177.040424	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"450693"	266.064274	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"819749"	88.016574	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"83022"	355.088124	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"525861"	533.135824	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"903663"	177.040424	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51476"	372.114671	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"499782"	550.162371	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"874305"	194.066971	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"40019"	377.070066	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"485046"	555.117766	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"848994"	199.022366	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1618531"	199.022366	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"94283"	195.028763	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"539727"	284.052613	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"932149"	106.004913	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"270342"	391.064802	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"663857"	569.112502	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1276629"	213.017102	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"23563"	393.044006	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"460936"	571.091706	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"840924"	214.996306	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1557849"	214.996306	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"947921"	223.045894	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"369417"	401.093601	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"355489"	415.109251	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1498855"	237.061551	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"964208"	245.027851	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"114209"	213.017102	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"551945"	302.040952	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1025850"	123.993252	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1245427"	256.966585	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1311156"	259.022572	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1325373"	281.004529	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"921900"	291.033286	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1289498"	327.009964	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1369847"	143.035024	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1382881"	161.045	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"283219"	357.102676	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"687474"	535.150376	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1364917"	179.054976	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"137806"	179.054976	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"580412"	268.078826	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1051030"	90.031126	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"219175"	119.705742666667	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"658987"	179.054976	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1178320"	60.3565093333333	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"438439"	374.129223	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"799796"	552.176923	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1696493"	196.081523	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"344898"	187.5682495	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"737314"	276.5920995	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1491741"	98.5443995	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"401183"	379.084618	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"768620"	557.132318	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1616351"	201.036918	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"323593"	190.045947	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"717110"	279.069797	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1469838"	101.022097	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1061989"	67.6838233333333	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1269135"	211.081186	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"390995"	395.058558	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"748712"	573.106258	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1551855"	217.010858	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"302471"	198.032917	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"695985"	287.056767	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1445794"	109.009067	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"236581"	398.129226	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1215484"	220.081526	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1197185"	110.544401	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"191148"	401.06656	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"630705"	579.11426	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1133119"	223.01886	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"174221"	201.036918	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"613905"	290.060768	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1117532"	112.013068	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1402275"	75.0111373333333	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1430866"	225.060446	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"224819"	206.06994	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1515072"	239.11249	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"415854"	209.023888	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"775754"	298.047738	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1672087"	120.000038	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"257879"	420.111168	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1233503"	242.063468	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1718017"	242.086993	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1181549"	82.3384513333333	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1656543"	247.042388	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"164499"	433.01444	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"605885"	611.06214	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1087480"	254.96674	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"147577"	217.010858	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"595158"	306.034708	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1074929"	127.987008	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1111058"	256.981292	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1337965"	257.068907	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1011961"	261.108076	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1533367"	262.101708	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1002001"	131.057676	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1593223"	263.016328	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1417790"	293.047838	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1149173"	151.570951	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1698725"	310.074385	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1638754"	315.02978	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1574409"	331.00372	"C01216"	"2-Dehydro-3-deoxy-D-galactonate"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"803680"	776.263	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M"	0
"982680"	757.24461	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-H2O-H"	-19.01839
"77486"	516.501390666667	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M-3H"	-3.021828
"511577"	775.255724	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M-3H"	-3.021828
"890472"	257.747057333333	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-3H"	-3.021828
"15130"	775.255724	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M-2H"	-2.014552
"452990"	1163.387224	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M-2H"	-2.014552
"826421"	387.124224	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-2H"	-2.014552
"88599"	1551.518724	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M-H"	-1.007276
"528157"	2327.781724	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M-H"	-1.007276
"900493"	775.255724	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-H"	-1.007276
"54867"	1568.545271	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M-2H+NH4"	16.019271
"497708"	2344.808271	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M-2H+NH4"	16.019271
"871136"	792.282271	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-2H+NH4"	16.019271
"42317"	1573.500666	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M-2H+Na"	20.974666
"482970"	2349.763666	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M-2H+Na"	20.974666
"849102"	797.237666	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-2H+Na"	20.974666
"1618993"	797.237666	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Na-2H"	20.974666
"95154"	793.244063	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M-H+Cl"	33.962126
"539837"	1181.375563	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M-H+Cl"	33.962126
"937727"	405.112563	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-H+Cl"	33.962126
"274099"	1587.495402	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+Cl"	34.969402
"664333"	2363.758402	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+Cl"	34.969402
"1287190"	811.232402	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Cl"	34.969402
"30112"	1589.474606	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M-2H+K"	36.948606
"462138"	2365.737606	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M-2H+K"	36.948606
"839940"	813.211606	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-2H+K"	36.948606
"1563428"	813.211606	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+K-2H"	36.948606
"950218"	821.261194	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-H+HCOOH"	44.998194
"366248"	1597.524201	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+HCOOH-H"	44.998201
"355599"	1611.539851	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+Hac-H"	59.013851
"1501151"	835.276851	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Hac-H"	59.013851
"968692"	843.243151	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-H+NaCOOH"	66.980151
"113221"	811.232402	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+2Cl"	69.938804
"551686"	1199.363902	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+2Cl"	69.938804
"1024130"	423.100902	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2Cl"	69.938804
"1246630"	855.181885	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Br"	78.918885
"1315639"	857.237872	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Cl+HCOOH"	80.974872
"1328760"	879.219829	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Cl+NaCOOH"	102.956829
"922010"	889.248586	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M-H+CF3COOH"	112.985586
"1298720"	925.225264	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Cl+CF3COOH"	148.962264
"1374697"	741.250324	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H-2H2O"	-35.012676
"1387820"	759.2603	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H-H2O"	-17.0027
"294068"	1553.533276	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+H"	1.007276
"691158"	2329.796276	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+H"	1.007276
"1366488"	777.270276	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H"	1.007276
"141383"	777.270276	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+2H"	2.014552
"580287"	1165.401776	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+2H"	2.014552
"1051394"	389.138776	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2H"	2.014552
"219660"	518.515942666667	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+3H"	3.021828
"659097"	777.270276	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+3H"	3.021828
"1177715"	259.761609333333	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+3H"	3.021828
"439400"	1570.559823	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+NH4"	18.033823
"800025"	2346.822823	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+NH4"	18.033823
"1696356"	794.296823	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+NH4"	18.033823
"344885"	785.7835495	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+H+NH4"	19.041099
"737994"	1173.9150495	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+H+NH4"	19.041099
"1491369"	397.6520495	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H+NH4"	19.041099
"404574"	1575.515218	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+Na"	22.989218
"765570"	2351.778218	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+Na"	22.989218
"1614763"	799.252218	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Na"	22.989218
"326987"	788.261247	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+H+Na"	23.996494
"715034"	1176.392747	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+H+Na"	23.996494
"1468855"	400.129747	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H+Na"	23.996494
"1065381"	267.088923333333	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2H+Na"	25.00377
"1267059"	809.296486	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+CH3OH+H"	33.033486
"390989"	1591.489158	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+K"	38.963158
"752102"	2367.752158	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+K"	38.963158
"1554277"	815.226158	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+K"	38.963158
"302583"	796.248217	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+H+K"	39.970434
"703750"	1184.379717	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+H+K"	39.970434
"1446636"	408.116717	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H+K"	39.970434
"239608"	1594.559826	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+ACN+H"	42.033826
"1210498"	818.296826	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+ACN+H"	42.033826
"1195108"	409.652051	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+ACN+2H"	43.041102
"191258"	1597.49716	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+2Na-H"	44.97116
"629033"	2373.76016	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+2Na-H"	44.97116
"1133231"	821.23416	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2Na-H"	44.97116
"174575"	799.252218	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+2Na"	45.978436
"614256"	1187.383718	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+2Na"	45.978436
"1115936"	411.120718	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2Na"	45.978436
"1399099"	274.416237333333	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H+2Na"	46.985712
"1430363"	823.275746	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H+HCOOH"	47.012746
"224201"	804.28524	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+3H2O+2H"	56.04448
"1515183"	837.32779	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+IsoProp+H"	61.06479
"413777"	807.239188	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+Na+K"	61.952376
"775866"	1195.370688	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+Na+K"	61.952376
"1677665"	419.107688	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Na+K"	61.952376
"262000"	1616.541768	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+ACN+Na"	64.015768
"1237990"	840.278768	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+ACN+Na"	64.015768
"1721407"	840.302293	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+NH4+HCOOH"	64.039293
"1187127"	281.743551333333	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+3Na"	68.967654
"1662851"	845.257688	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Na+HCOOH"	68.994688
"164609"	1629.44504	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+2K-H"	76.91904
"605996"	2405.70804	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+2K-H"	76.91904
"1089778"	853.18204	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2K-H"	76.91904
"147688"	815.226158	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"2M+2K"	77.926316
"591621"	1203.357658	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"3M+2K"	77.926316
"1077226"	427.094658	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2K"	77.926316
"1106064"	855.196592	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2K+H"	78.933592
"1345729"	855.284207	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+DMSO+H"	79.021207
"1012073"	859.323376	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2ACN+H"	83.060376
"1533479"	860.317008	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+IsoProp+Na+H"	84.054008
"1001018"	430.165326	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+2ACN+2H"	84.067652
"1597708"	861.231628	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+K+HCOOH"	84.968628
"1416806"	891.263138	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+H+CF3COOH"	115.000138
"1148189"	450.678601	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+3ACN+2H"	125.094202
"1698473"	908.289685	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+NH4+CF3COOH"	132.026685
"1645425"	913.24508	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+Na+CF3COOH"	136.98208
"1574519"	929.21902	"C01217"	"5678-Tetrahydromethanopterin;H4MPT;THMPT;Tetrahydromethanopterin"	"C30H45N6O16P"	"776.263"	"M+K+CF3COOH"	152.95602
"804883"	274.009	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M"	0
"982790"	254.99061	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H2O-H"	-19.01839
"77595"	181.665390666667	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-3H"	-3.021828
"513876"	273.001724	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-3H"	-3.021828
"888395"	90.3290573333333	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-3H"	-3.021828
"5880"	273.001724	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H"	-2.014552
"448724"	410.006224	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H"	-2.014552
"823250"	135.997224	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H"	-2.014552
"84335"	547.010724	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-H"	-1.007276
"521097"	821.019724	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-H"	-1.007276
"902790"	273.001724	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H"	-1.007276
"48658"	564.037271	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+NH4"	16.019271
"497452"	838.046271	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+NH4"	16.019271
"866872"	290.028271	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H+NH4"	16.019271
"35867"	568.992666	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+Na"	20.974666
"478706"	843.001666	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+Na"	20.974666
"849581"	294.983666	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H+Na"	20.974666
"1619604"	294.983666	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na-2H"	20.974666
"95279"	290.990063	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-H+Cl"	33.962126
"542136"	427.994563	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-H+Cl"	33.962126
"935651"	153.985563	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+Cl"	33.962126
"274209"	582.987402	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Cl"	34.969402
"673802"	856.996402	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+Cl"	34.969402
"1286570"	308.978402	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl"	34.969402
"29250"	584.966606	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+K"	36.948606
"465529"	858.975606	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+K"	36.948606
"840050"	310.957606	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H+K"	36.948606
"1563538"	310.957606	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K-2H"	36.948606
"950328"	319.007194	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+HCOOH"	44.998194
"367449"	593.016201	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+HCOOH-H"	44.998201
"353520"	607.031851	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Hac-H"	59.013851
"1494699"	333.022851	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Hac-H"	59.013851
"959324"	340.989151	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+NaCOOH"	66.980151
"113328"	308.978402	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2Cl"	69.938804
"551794"	445.982902	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2Cl"	69.938804
"1025332"	171.973902	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2Cl"	69.938804
"1247833"	352.927885	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Br"	78.918885
"1311376"	354.983872	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+HCOOH"	80.974872
"1325591"	376.965829	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+NaCOOH"	102.956829
"917746"	386.994586	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+CF3COOH"	112.985586
"1297737"	422.971264	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+CF3COOH"	148.962264
"1371527"	238.996324	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H-2H2O"	-35.012676
"1384650"	257.0063	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H-H2O"	-17.0027
"294178"	549.025276	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H"	1.007276
"691100"	823.034276	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H"	1.007276
"1365868"	275.016276	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H"	1.007276
"140582"	275.016276	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2H"	2.014552
"580028"	412.020776	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2H"	2.014552
"1052350"	138.011776	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2H"	2.014552
"219041"	183.679942666667	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+3H"	3.021828
"658477"	275.016276	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+3H"	3.021828
"1177935"	92.3436093333333	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+3H"	3.021828
"439792"	566.051823	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+NH4"	18.033823
"800378"	840.060823	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+NH4"	18.033823
"1696105"	292.042823	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+NH4"	18.033823
"345631"	283.5295495	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H+NH4"	19.041099
"738329"	420.5340495	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H+NH4"	19.041099
"1491473"	146.5250495	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+NH4"	19.041099
"405779"	571.007218	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Na"	22.989218
"766775"	845.016218	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+Na"	22.989218
"1615967"	296.998218	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na"	22.989218
"328191"	286.007247	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H+Na"	23.996494
"722313"	423.011747	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H+Na"	23.996494
"1474433"	149.002747	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+Na"	23.996494
"1067314"	99.6709233333333	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2H+Na"	25.00377
"1272439"	307.042486	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+CH3OH+H"	33.033486
"390854"	586.981158	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+K"	38.963158
"751117"	860.990158	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+K"	38.963158
"1553169"	312.972158	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K"	38.963158
"304880"	293.994217	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H+K"	39.970434
"705319"	430.998717	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H+K"	39.970434
"1447109"	156.989717	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+K"	39.970434
"246280"	590.051826	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+ACN+H"	42.033826
"1216804"	316.042826	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+H"	42.033826
"1195585"	158.525051	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+2H"	43.041102
"193554"	592.98916	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2Na-H"	44.97116
"629344"	866.99816	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2Na-H"	44.97116
"1133341"	318.98016	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2Na-H"	44.97116
"174318"	296.998218	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2Na"	45.978436
"614489"	434.002718	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2Na"	45.978436
"1116412"	159.993718	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2Na"	45.978436
"1399330"	106.998237333333	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+2Na"	46.985712
"1431328"	321.021746	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+HCOOH"	47.012746
"224311"	302.03124	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+3H2O+2H"	56.04448
"1515290"	335.07379	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+IsoProp+H"	61.06479
"414980"	304.985188	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Na+K"	61.952376
"777069"	441.989688	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+Na+K"	61.952376
"1672307"	167.980688	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na+K"	61.952376
"263202"	612.033768	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+ACN+Na"	64.015768
"1235911"	338.024768	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+Na"	64.015768
"1723704"	338.048293	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+NH4+HCOOH"	64.039293
"1191245"	114.325551333333	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+3Na"	68.967654
"1661137"	343.003688	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na+HCOOH"	68.994688
"164719"	624.93704	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2K-H"	76.91904
"608291"	898.94604	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2K-H"	76.91904
"1089890"	350.92804	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2K-H"	76.91904
"151078"	312.972158	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2K"	77.926316
"594282"	449.976658	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2K"	77.926316
"1075148"	175.967658	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2K"	77.926316
"1106174"	352.942592	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2K+H"	78.933592
"1344746"	353.030207	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+DMSO+H"	79.021207
"1012182"	357.069376	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2ACN+H"	83.060376
"1536868"	358.063008	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+IsoProp+Na+H"	84.054008
"1000036"	179.038326	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2ACN+2H"	84.067652
"1594537"	358.977628	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K+HCOOH"	84.968628
"1418010"	389.009138	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+CF3COOH"	115.000138
"1148420"	199.551601	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+3ACN+2H"	125.094202
"1700041"	406.035685	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+NH4+CF3COOH"	132.026685
"1635694"	410.99108	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na+CF3COOH"	136.98208
"1573536"	426.96502	"C01218"	"6-Phospho-2-dehydro-D-gluconate;2-Dehydro-D-gluconate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K+CF3COOH"	152.95602
"803900"	547.0604	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M"	0
"976338"	528.04201	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-H2O-H"	-19.01839
"70050"	363.699657333333	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M-3H"	-3.021828
"504265"	546.053124	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M-3H"	-3.021828
"885225"	181.346190666667	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-3H"	-3.021828
"8177"	546.053124	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M-2H"	-2.014552
"448834"	819.583324	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M-2H"	-2.014552
"823361"	272.522924	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-2H"	-2.014552
"84445"	1093.113524	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M-H"	-1.007276
"519015"	1640.173924	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M-H"	-1.007276
"899618"	546.053124	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-H"	-1.007276
"52899"	1110.140071	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M-2H+NH4"	16.019271
"496470"	1657.200471	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M-2H+NH4"	16.019271
"870261"	563.079671	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-2H+NH4"	16.019271
"39257"	1115.095466	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M-2H+Na"	20.974666
"477722"	1662.155866	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M-2H+Na"	20.974666
"849812"	568.035066	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-2H+Na"	20.974666
"1621780"	568.035066	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Na-2H"	20.974666
"95267"	564.041463	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M-H+Cl"	33.962126
"540058"	837.571663	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M-H+Cl"	33.962126
"935761"	290.511263	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-H+Cl"	33.962126
"275412"	1129.090202	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+Cl"	34.969402
"671116"	1676.150602	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+Cl"	34.969402
"1284615"	582.029802	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Cl"	34.969402
"22798"	1131.069406	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M-2H+K"	36.948606
"464546"	1678.129806	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M-2H+K"	36.948606
"841255"	584.009006	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-2H+K"	36.948606
"1563648"	584.009006	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+K-2H"	36.948606
"946061"	592.058594	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-H+HCOOH"	44.998194
"366463"	1139.119001	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+HCOOH-H"	44.998201
"348161"	1153.134651	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+Hac-H"	59.013851
"1496995"	606.074251	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Hac-H"	59.013851
"960527"	614.040551	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-H+NaCOOH"	66.980151
"113435"	582.029802	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+2Cl"	69.938804
"551295"	855.560002	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+2Cl"	69.938804
"1023983"	308.499602	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2Cl"	69.938804
"1245753"	625.979285	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Br"	78.918885
"1309298"	628.035272	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Cl+HCOOH"	80.974872
"1321445"	650.017229	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Cl+NaCOOH"	102.956829
"917856"	660.045986	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M-H+CF3COOH"	112.985586
"1295660"	696.022664	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Cl+CF3COOH"	148.962264
"1378198"	512.047724	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H-2H2O"	-35.012676
"1384760"	530.0577	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H-H2O"	-17.0027
"294288"	1095.128076	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+H"	1.007276
"691170"	1642.188476	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+H"	1.007276
"1366886"	548.067676	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H"	1.007276
"141062"	548.067676	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+2H"	2.014552
"580504"	821.597876	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+2H"	2.014552
"1051972"	274.537476	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2H"	2.014552
"219515"	365.714209333333	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+3H"	3.021828
"659318"	548.067676	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+3H"	3.021828
"1178012"	183.360742666667	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+3H"	3.021828
"439008"	1112.154623	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+NH4"	18.033823
"800817"	1659.215023	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+NH4"	18.033823
"1696868"	565.094223	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+NH4"	18.033823
"344983"	556.5809495	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+H+NH4"	19.041099
"736308"	830.1111495	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+H+NH4"	19.041099
"1490494"	283.0507495	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H+NH4"	19.041099
"402609"	1117.110018	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+Na"	22.989218
"764698"	1664.170418	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+Na"	22.989218
"1616079"	570.049618	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Na"	22.989218
"326844"	559.058647	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+H+Na"	23.996494
"719628"	832.588847	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+H+Na"	23.996494
"1473451"	285.528447	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H+Na"	23.996494
"1066332"	190.688056666667	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2H+Na"	25.00377
"1271291"	580.093886	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+CH3OH+H"	33.033486
"390965"	1133.083958	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+K"	38.963158
"751594"	1680.144358	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+K"	38.963158
"1554010"	586.023558	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+K"	38.963158
"305354"	567.045617	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+H+K"	39.970434
"702876"	840.575817	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+H+K"	39.970434
"1454510"	293.515417	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H+K"	39.970434
"245297"	1136.154626	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+ACN+H"	42.033826
"1209912"	589.094226	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+ACN+H"	42.033826
"1195573"	295.050751	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+ACN+2H"	43.041102
"190384"	1139.09196	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+2Na-H"	44.97116
"628723"	1686.15236	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+2Na-H"	44.97116
"1134544"	592.03156	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2Na-H"	44.97116
"174673"	570.049618	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+2Na"	45.978436
"614843"	843.579818	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+2Na"	45.978436
"1116644"	296.519418	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2Na"	45.978436
"1401143"	198.015370666667	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H+2Na"	46.985712
"1432167"	594.073146	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H+HCOOH"	47.012746
"224057"	575.08264	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+3H2O+2H"	56.04448
"1516493"	608.12519	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+IsoProp+H"	61.06479
"409377"	578.036588	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+Na+K"	61.952376
"772804"	851.566788	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+Na+K"	61.952376
"1672417"	304.506388	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Na+K"	61.952376
"260030"	1158.136568	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+ACN+Na"	64.015768
"1236020"	611.076168	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+ACN+Na"	64.015768
"1722720"	611.099693	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+NH4+HCOOH"	64.039293
"1191355"	205.342684666667	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+3Na"	68.967654
"1663434"	616.055088	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Na+HCOOH"	68.994688
"164829"	1171.03984	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+2K-H"	76.91904
"608765"	1718.10024	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+2K-H"	76.91904
"1088905"	623.97944	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2K-H"	76.91904
"150095"	586.023558	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"2M+2K"	77.926316
"594027"	859.553758	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"3M+2K"	77.926316
"1075258"	312.493358	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2K"	77.926316
"1106284"	625.993992	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2K+H"	78.933592
"1344856"	626.081607	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+DMSO+H"	79.021207
"1013386"	630.120776	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2ACN+H"	83.060376
"1532604"	631.114408	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+IsoProp+Na+H"	84.054008
"1000145"	315.564026	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+2ACN+2H"	84.067652
"1594646"	632.029028	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+K+HCOOH"	84.968628
"1415933"	662.060538	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+H+CF3COOH"	115.000138
"1147802"	336.077301	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+3ACN+2H"	125.094202
"1704526"	679.087085	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+NH4+CF3COOH"	132.026685
"1635804"	684.04248	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+Na+CF3COOH"	136.98208
"1573646"	700.01642	"C01219"	"CDP-4-dehydro-6-deoxy-D-glucose"	"C15H23N3O15P2"	"547.0604"	"M+K+CF3COOH"	152.95602
"805103"	339.996	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"977541"	320.97761	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"70160"	225.656724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"505711"	338.988724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"885335"	112.324724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"3912"	338.988724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"443473"	508.986724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"819089"	168.990724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"82727"	678.984724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"525208"	1018.980724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"903008"	338.988724	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"55195"	696.011271	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"495848"	1036.007271	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"872558"	356.015271	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"39366"	700.966666	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"475645"	1040.962666	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"848624"	360.970666	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1620797"	360.970666	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"94445"	356.977063	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"537615"	526.975063	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"936964"	186.979063	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"272242"	714.961402	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"671226"	1054.957402	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1286790"	374.965402	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"24001"	716.940606	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"465749"	1056.936606	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"842458"	376.944606	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1563758"	376.944606	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"945443"	384.994194	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"364387"	724.990201	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"348271"	739.005851	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1498198"	399.009851	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"960273"	406.976151	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"111723"	374.965402	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"551647"	544.963402	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1023728"	204.967402	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1242949"	418.914885	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1309408"	420.970872	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1321071"	442.952829	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"917966"	452.981586	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1301237"	488.958264	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1377215"	304.983324	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1384870"	322.9933	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"294398"	680.999276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"690468"	1020.995276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1366807"	341.003276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"141330"	341.003276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"580371"	511.001276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1052717"	171.005276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"219462"	227.671276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"659707"	341.003276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1178203"	114.339276	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"438267"	698.025823	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"800602"	1038.021823	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1696824"	358.029823	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"345497"	349.5165495	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"737510"	519.5145495	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1490600"	179.5185495	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"402718"	702.981218	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"761528"	1042.977218	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1610720"	362.985218	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"327318"	351.994247	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"718645"	521.992247	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1472466"	181.996247	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1064254"	121.66659	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1271765"	373.029486	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"391437"	718.955158	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"752066"	1058.951158	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1554484"	378.959158	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"302184"	359.981217	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"704079"	529.979217	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1454619"	189.983217	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"242127"	722.025826	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1211189"	382.029826	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1195439"	191.518551	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"191586"	724.96316	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"628795"	1064.95916	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1135017"	384.96716	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"175755"	362.985218	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"614222"	532.983218	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1116269"	192.987218	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1399552"	128.993904	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1430453"	387.008746	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"223071"	368.01824	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1513323"	401.06079	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"410456"	370.972188	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"776193"	540.970188	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1672527"	200.974188	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"259047"	744.007768	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1236130"	404.011768	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1723923"	404.035293	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1188184"	136.321218	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1662450"	408.990688	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"164939"	756.91104	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"610333"	1096.90704	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1090108"	416.91504	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"151297"	378.959158	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"591950"	548.957158	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1072088"	208.961158	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1107487"	418.929592	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1342778"	419.017207	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1013494"	423.056376	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1530526"	424.050008	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"996973"	212.031826	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1594756"	424.964628	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1414948"	454.996138	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1148034"	232.545101	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1704636"	472.022685	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1636278"	476.97808	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1573756"	492.95202	"C01220"	"1D-myo-Inositol 14-bisphosphate;D-myo-Inositol 14-bisphosphate;myo-Inositol 14-bisphosphate;Inositol 14-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"804120"	663.2477	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M"	0
"977651"	644.22931	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H2O-H"	-19.01839
"68083"	441.157857333333	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-3H"	-3.021828
"506550"	662.240424	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-3H"	-3.021828
"884351"	220.075290666667	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-3H"	-3.021828
"4022"	662.240424	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H"	-2.014552
"442490"	993.864274	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H"	-2.014552
"819199"	330.616574	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H"	-2.014552
"82473"	1325.488124	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-H"	-1.007276
"522033"	1988.735824	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-H"	-1.007276
"902025"	662.240424	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H"	-1.007276
"52025"	1342.514671	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+NH4"	16.019271
"492678"	2005.762371	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+NH4"	16.019271
"870480"	679.266971	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+NH4"	16.019271
"35100"	1347.470066	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+Na"	20.974666
"479034"	2010.717766	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+Na"	20.974666
"848548"	684.222366	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+Na"	20.974666
"1618714"	684.222366	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na-2H"	20.974666
"94292"	680.228763	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-H+Cl"	33.962126
"534641"	1011.852613	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-H+Cl"	33.962126
"931606"	348.604913	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+Cl"	33.962126
"270527"	1361.464802	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Cl"	34.969402
"661858"	2024.712502	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Cl"	34.969402
"1283741"	698.217102	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl"	34.969402
"21924"	1363.444006	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+K"	36.948606
"465859"	2026.691706	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+K"	36.948606
"839288"	700.196306	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+K"	36.948606
"1557308"	700.196306	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K-2H"	36.948606
"944096"	708.245894	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+HCOOH"	44.998194
"364497"	1371.493601	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+HCOOH-H"	44.998201
"346194"	1385.509251	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Hac-H"	59.013851
"1495028"	722.261551	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Hac-H"	59.013851
"960383"	730.227851	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+NaCOOH"	66.980151
"110739"	698.217102	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Cl"	69.938804
"551758"	1029.840952	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Cl"	69.938804
"1022015"	366.593252	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Cl"	69.938804
"1241963"	742.166585	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Br"	78.918885
"1306238"	744.222572	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+HCOOH"	80.974872
"1322274"	766.204529	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+NaCOOH"	102.956829
"918076"	776.233286	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+CF3COOH"	112.985586
"1300254"	812.209964	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+CF3COOH"	148.962264
"1377325"	628.235024	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H-2H2O"	-35.012676
"1384980"	646.245	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H-H2O"	-17.0027
"293415"	1327.502676	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H"	1.007276
"689120"	1990.750376	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H"	1.007276
"1364373"	664.254976	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H"	1.007276
"140424"	664.254976	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2H"	2.014552
"581042"	995.878826	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2H"	2.014552
"1051824"	332.631126	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2H"	2.014552
"216444"	443.172409333333	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+3H"	3.021828
"659290"	664.254976	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+3H"	3.021828
"1177047"	222.089842666667	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3H"	3.021828
"435580"	1344.529223	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+NH4"	18.033823
"800832"	2007.776923	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+NH4"	18.033823
"1694001"	681.281523	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4"	18.033823
"343010"	672.7682495	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+NH4"	19.041099
"736889"	1004.3920995	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+NH4"	19.041099
"1486337"	341.1443995	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+NH4"	19.041099
"400639"	1349.484618	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Na"	22.989218
"760543"	2012.732318	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Na"	22.989218
"1608643"	686.236918	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na"	22.989218
"325242"	675.245947	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+Na"	23.996494
"717661"	1006.869797	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+Na"	23.996494
"1472576"	343.622097	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+Na"	23.996494
"1064728"	229.417156666667	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2H+Na"	25.00377
"1270052"	696.281186	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+CH3OH+H"	33.033486
"390453"	1365.458558	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+K"	38.963158
"744885"	2028.706258	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+K"	38.963158
"1548032"	702.210858	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K"	38.963158
"303022"	683.232917	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+K"	39.970434
"694347"	1014.856767	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+K"	39.970434
"1449261"	351.609067	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+K"	39.970434
"236767"	1368.529226	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+ACN+H"	42.033826
"1210203"	705.281526	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+H"	42.033826
"1195185"	353.144401	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+2H"	43.041102
"189144"	1371.46656	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Na-H"	44.97116
"628657"	2034.71426	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Na-H"	44.97116
"1131683"	708.21886	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Na-H"	44.97116
"173062"	686.236918	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Na"	45.978436
"613268"	1017.860768	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Na"	45.978436
"1116204"	354.613068	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Na"	45.978436
"1398636"	236.744470666667	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+2Na"	46.985712
"1430144"	710.260446	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+HCOOH"	47.012746
"220087"	691.26994	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+3H2O+2H"	56.04448
"1513433"	724.31249	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+IsoProp+H"	61.06479
"409230"	694.223888	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Na+K"	61.952376
"776303"	1025.847738	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Na+K"	61.952376
"1673730"	362.600038	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+K"	61.952376
"260250"	1390.511168	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+ACN+Na"	64.015768
"1235147"	727.263468	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+Na"	64.015768
"1725126"	727.286993	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4+HCOOH"	64.039293
"1185014"	244.071784666667	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3Na"	68.967654
"1660373"	732.242388	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+HCOOH"	68.994688
"161768"	1403.41444	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2K-H"	76.91904
"607892"	2066.66214	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2K-H"	76.91904
"1090217"	740.16674	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K-H"	76.91904
"148125"	702.210858	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2K"	77.926316
"581729"	1033.834708	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2K"	77.926316
"1073291"	370.587008	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K"	77.926316
"1101036"	742.181292	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K+H"	78.933592
"1342888"	742.268907	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+DMSO+H"	79.021207
"1010324"	746.308076	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2ACN+H"	83.060376
"1530636"	747.301708	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+IsoProp+Na+H"	84.054008
"995990"	373.657676	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2ACN+2H"	84.067652
"1591586"	748.216328	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K+HCOOH"	84.968628
"1415300"	778.247838	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+CF3COOH"	115.000138
"1147415"	394.170951	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3ACN+2H"	125.094202
"1704746"	795.274385	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4+CF3COOH"	132.026685
"1636388"	800.22978	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+CF3COOH"	136.98208
"1573866"	816.20372	"C01221"	"Dihydrostreptomycin 6-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K+CF3COOH"	152.95602
"804230"	587.0666	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M"	0
"976668"	568.04821	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-H2O-H"	-19.01839
"69286"	390.370457333333	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M-3H"	-3.021828
"507753"	586.059324	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M-3H"	-3.021828
"885554"	194.681590666667	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-3H"	-3.021828
"3039"	586.059324	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M-2H"	-2.014552
"443693"	879.592624	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M-2H"	-2.014552
"821496"	292.526024	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-2H"	-2.014552
"82583"	1173.125924	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M-H"	-1.007276
"522143"	1760.192524	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M-H"	-1.007276
"903227"	586.059324	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-H"	-1.007276
"52134"	1190.152471	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+NH4"	16.019271
"496068"	1777.219071	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+NH4"	16.019271
"873870"	603.085871	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-2H+NH4"	16.019271
"35210"	1195.107866	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+Na"	20.974666
"475865"	1782.174466	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+Na"	20.974666
"848676"	608.041266	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-2H+Na"	20.974666
"1618729"	608.041266	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Na-2H"	20.974666
"96084"	604.047663	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M-H+Cl"	33.962126
"537103"	897.580963	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M-H+Cl"	33.962126
"927331"	310.514363	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-H+Cl"	33.962126
"271729"	1209.102602	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+Cl"	34.969402
"661233"	1796.169202	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+Cl"	34.969402
"1279476"	622.036002	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Cl"	34.969402
"18753"	1211.081806	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+K"	36.948606
"459408"	1798.148406	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+K"	36.948606
"837211"	624.015206	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-2H+K"	36.948606
"1556321"	624.015206	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+K-2H"	36.948606
"943511"	632.064794	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-H+HCOOH"	44.998194
"362417"	1219.131401	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+HCOOH-H"	44.998201
"346094"	1233.147051	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+Hac-H"	59.013851
"1497324"	646.080451	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Hac-H"	59.013851
"960489"	654.046751	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-H+NaCOOH"	66.980151
"110031"	622.036002	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+2Cl"	69.938804
"550035"	915.569302	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+2Cl"	69.938804
"1021470"	328.502702	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2Cl"	69.938804
"1243894"	665.985485	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Br"	78.918885
"1307437"	668.041472	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+HCOOH"	80.974872
"1320923"	690.023429	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+NaCOOH"	102.956829
"919279"	700.052186	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M-H+CF3COOH"	112.985586
"1299269"	736.028864	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+CF3COOH"	148.962264
"1377431"	552.053924	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H-2H2O"	-35.012676
"1385089"	570.0639	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H-H2O"	-17.0027
"283190"	1175.140476	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+H"	1.007276
"681574"	1762.207076	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+H"	1.007276
"1359015"	588.073876	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H"	1.007276
"139925"	588.073876	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+2H"	2.014552
"580709"	881.607176	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+2H"	2.014552
"1051449"	294.540576	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2H"	2.014552
"216554"	392.385009333333	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+3H"	3.021828
"658302"	588.073876	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+3H"	3.021828
"1176791"	196.696142666667	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+3H"	3.021828
"433502"	1192.167023	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+NH4"	18.033823
"799968"	1779.233623	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+NH4"	18.033823
"1694111"	605.100423	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+NH4"	18.033823
"343484"	596.5871495	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+H+NH4"	19.041099
"736878"	890.1204495	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+H+NH4"	19.041099
"1489726"	303.0538495	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H+NH4"	19.041099
"401842"	1197.122418	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+Na"	22.989218
"761745"	1784.189018	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+Na"	22.989218
"1608753"	610.055818	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Na"	22.989218
"325351"	599.064847	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+H+Na"	23.996494
"717771"	892.598147	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+H+Na"	23.996494
"1472686"	305.531547	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H+Na"	23.996494
"1061558"	204.023456666667	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2H+Na"	25.00377
"1266516"	620.100086	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+CH3OH+H"	33.033486
"386187"	1213.096358	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+K"	38.963158
"744995"	1800.162958	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+K"	38.963158
"1545954"	626.029758	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+K"	38.963158
"302037"	607.051817	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+H+K"	39.970434
"697737"	900.585117	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+H+K"	39.970434
"1455931"	313.518517	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H+K"	39.970434
"236390"	1216.167026	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+ACN+H"	42.033826
"1210800"	629.100426	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+H"	42.033826
"1194315"	315.053851	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+2H"	43.041102
"189001"	1219.10436	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+2Na-H"	44.97116
"629049"	1806.17096	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+2Na-H"	44.97116
"1131442"	632.03776	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2Na-H"	44.97116
"173534"	610.055818	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+2Na"	45.978436
"613701"	903.589118	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+2Na"	45.978436
"1116113"	316.522518	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2Na"	45.978436
"1398908"	211.350770666667	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H+2Na"	46.985712
"1430137"	634.079346	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H+HCOOH"	47.012746
"220321"	615.08884	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+3H2O+2H"	56.04448
"1512447"	648.13139	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+IsoProp+H"	61.06479
"410312"	618.042788	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+Na+K"	61.952376
"776413"	911.576088	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+Na+K"	61.952376
"1671652"	324.509488	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Na+K"	61.952376
"254891"	1238.148968	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+ACN+Na"	64.015768
"1229788"	651.082368	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+Na"	64.015768
"1717581"	651.105893	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+NH4+HCOOH"	64.039293
"1180749"	218.678084666667	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+3Na"	68.967654
"1653923"	656.061288	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Na+HCOOH"	68.994688
"159325"	1251.05224	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+2K-H"	76.91904
"599616"	1838.11884	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+2K-H"	76.91904
"1090326"	663.98564	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2K-H"	76.91904
"142888"	626.029758	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"2M+2K"	77.926316
"582931"	919.563058	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"3M+2K"	77.926316
"1073401"	332.496458	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2K"	77.926316
"1100900"	666.000192	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2K+H"	78.933592
"1336438"	666.087807	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+DMSO+H"	79.021207
"1009341"	670.126976	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2ACN+H"	83.060376
"1526737"	671.120608	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+IsoProp+Na+H"	84.054008
"992821"	335.567126	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+2ACN+2H"	84.067652
"1589509"	672.035228	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+K+HCOOH"	84.968628
"1414435"	702.066738	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+H+CF3COOH"	115.000138
"1147647"	356.080401	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+3ACN+2H"	125.094202
"1704856"	719.093285	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+NH4+CF3COOH"	132.026685
"1636498"	724.04868	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+Na+CF3COOH"	136.98208
"1573976"	740.02262	"C01222"	"GDP-4-dehydro-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-dehydro-D-rhamnose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-alpha-D-rhamnose;GDP-4-dehydro-6-deoxy-alpha-D-mannose"	"C16H23N5O15P2"	"587.0666"	"M+K+CF3COOH"	152.95602
"805433"	214.1192	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M"	0
"984433"	195.10081	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-H2O-H"	-19.01839
"77050"	141.738857333333	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M-3H"	-3.021828
"506770"	213.111924	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M-3H"	-3.021828
"890038"	70.3657906666667	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-3H"	-3.021828
"7523"	213.111924	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M-2H"	-2.014552
"445990"	320.171524	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M-2H"	-2.014552
"822701"	106.052324	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-2H"	-2.014552
"85973"	427.231124	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M-H"	-1.007276
"528816"	641.350324	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M-H"	-1.007276
"906617"	213.111924	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-H"	-1.007276
"58806"	444.257671	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M-2H+NH4"	16.019271
"498004"	658.376871	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M-2H+NH4"	16.019271
"876169"	230.138471	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-2H+NH4"	16.019271
"39696"	449.213066	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M-2H+Na"	20.974666
"480349"	663.332266	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M-2H+Na"	20.974666
"850496"	235.093866	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-2H+Na"	20.974666
"1619295"	235.093866	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Na-2H"	20.974666
"95829"	231.100263	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M-H+Cl"	33.962126
"539036"	338.159863	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M-H+Cl"	33.962126
"931461"	124.040663	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-H+Cl"	33.962126
"268924"	463.207802	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+Cl"	34.969402
"663900"	677.327002	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+Cl"	34.969402
"1275213"	249.088602	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Cl"	34.969402
"18864"	465.187006	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M-2H+K"	36.948606
"459518"	679.306206	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M-2H+K"	36.948606
"837321"	251.067806	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-2H+K"	36.948606
"1556106"	251.067806	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+K-2H"	36.948606
"943946"	259.117394	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-H+HCOOH"	44.998194
"361794"	473.236601	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+HCOOH-H"	44.998201
"347136"	487.252251	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+Hac-H"	59.013851
"1496341"	273.133051	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Hac-H"	59.013851
"962788"	281.099351	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-H+NaCOOH"	66.980151
"110263"	249.088602	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+2Cl"	69.938804
"550392"	356.148202	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+2Cl"	69.938804
"1022600"	142.029002	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2Cl"	69.938804
"1247289"	293.038085	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Br"	78.918885
"1307551"	295.094072	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Cl+HCOOH"	80.974872
"1321765"	317.076029	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Cl+NaCOOH"	102.956829
"925954"	327.104786	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M-H+CF3COOH"	112.985586
"1301567"	363.081464	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Cl+CF3COOH"	148.962264
"1372078"	179.106524	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H-2H2O"	-35.012676
"1384468"	197.1165	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H-H2O"	-17.0027
"284886"	429.245676	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+H"	1.007276
"679497"	643.364876	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+H"	1.007276
"1352565"	215.126476	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H"	1.007276
"137483"	215.126476	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+2H"	2.014552
"578874"	322.186076	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+2H"	2.014552
"1051318"	108.066876	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2H"	2.014552
"216300"	143.753409333333	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+3H"	3.021828
"659145"	215.126476	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+3H"	3.021828
"1177634"	72.3803426666667	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+3H"	3.021828
"433612"	446.272223	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+NH4"	18.033823
"800443"	660.391423	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+NH4"	18.033823
"1693857"	232.153023	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+NH4"	18.033823
"343595"	223.6397495	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+H+NH4"	19.041099
"735653"	330.6993495	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+H+NH4"	19.041099
"1489837"	116.5801495	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H+NH4"	19.041099
"403046"	451.227618	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+Na"	22.989218
"765135"	665.346818	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+Na"	22.989218
"1609956"	237.108418	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Na"	22.989218
"324368"	226.117447	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+H+Na"	23.996494
"716788"	333.177047	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+H+Na"	23.996494
"1470609"	119.057847	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H+Na"	23.996494
"1060571"	79.7076566666667	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2H+Na"	25.00377
"1267722"	247.152686	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+CH3OH+H"	33.033486
"385204"	467.201558	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+K"	38.963158
"744012"	681.320758	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+K"	38.963158
"1544969"	253.082358	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+K"	38.963158
"302146"	234.104417	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+H+K"	39.970434
"697847"	341.164017	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+H+K"	39.970434
"1449480"	127.044817	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H+K"	39.970434
"238081"	470.272226	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+ACN+H"	42.033826
"1212613"	256.153026	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+ACN+H"	42.033826
"1195279"	128.580151	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+ACN+2H"	43.041102
"188832"	473.20956	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+2Na-H"	44.97116
"628633"	687.32876	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+2Na-H"	44.97116
"1131494"	259.09036	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2Na-H"	44.97116
"172942"	237.108418	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+2Na"	45.978436
"613334"	344.168018	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+2Na"	45.978436
"1118058"	130.048818	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2Na"	45.978436
"1399148"	87.0349706666667	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H+2Na"	46.985712
"1430655"	261.131946	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H+HCOOH"	47.012746
"220593"	242.14144	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+3H2O+2H"	56.04448
"1511098"	275.18399	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+IsoProp+H"	61.06479
"411879"	245.095388	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+Na+K"	61.952376
"773970"	352.154988	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+Na+K"	61.952376
"1671762"	138.035788	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Na+K"	61.952376
"255365"	492.254168	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+ACN+Na"	64.015768
"1233179"	278.134968	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+ACN+Na"	64.015768
"1719879"	278.158493	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+NH4+HCOOH"	64.039293
"1184139"	94.3622846666667	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+3Na"	68.967654
"1652936"	283.113888	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Na+HCOOH"	68.994688
"161259"	505.15744	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+2K-H"	76.91904
"600455"	719.27664	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+2K-H"	76.91904
"1086058"	291.03824	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2K-H"	76.91904
"147251"	253.082358	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"2M+2K"	77.926316
"583532"	360.141958	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"3M+2K"	77.926316
"1069622"	146.022758	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2K"	77.926316
"1100644"	293.052792	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2K+H"	78.933592
"1338733"	293.140407	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+DMSO+H"	79.021207
"1006532"	297.179576	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2ACN+H"	83.060376
"1526602"	298.173208	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+IsoProp+Na+H"	84.054008
"997303"	149.093426	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+2ACN+2H"	84.067652
"1590713"	299.087828	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+K+HCOOH"	84.968628
"1414285"	329.119338	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+H+CF3COOH"	115.000138
"1147755"	169.606701	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+3ACN+2H"	125.094202
"1702779"	346.145885	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+NH4+CF3COOH"	132.026685
"1636608"	351.10128	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+Na+CF3COOH"	136.98208
"1574086"	367.07522	"C01223"	"Methyl 2-diazoacetamidohexonate"	"C9H16N3O3"	"214.1192"	"M+K+CF3COOH"	152.95602
"804814"	334.0665	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M"	0
"984543"	315.04811	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-H2O-H"	-19.01839
"73880"	221.703724	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M-3H"	-3.021828
"507974"	333.059224	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M-3H"	-3.021828
"889055"	110.348224	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-3H"	-3.021828
"7633"	333.059224	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M-2H"	-2.014552
"448289"	500.092474	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M-2H"	-2.014552
"827186"	166.025974	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-2H"	-2.014552
"86083"	667.125724	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M-H"	-1.007276
"531114"	1001.192224	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M-H"	-1.007276
"905637"	333.059224	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-H"	-1.007276
"57826"	684.152271	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M-2H+NH4"	16.019271
"497385"	1018.218771	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M-2H+NH4"	16.019271
"874091"	350.085771	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-2H+NH4"	16.019271
"34338"	689.107666	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M-2H+Na"	20.974666
"477181"	1023.174166	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M-2H+Na"	20.974666
"849876"	355.041166	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-2H+Na"	20.974666
"1618960"	355.041166	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Na-2H"	20.974666
"96668"	351.047563	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M-H+Cl"	33.962126
"538052"	518.080813	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M-H+Cl"	33.962126
"931936"	184.014313	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-H+Cl"	33.962126
"269399"	703.102402	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+Cl"	34.969402
"663282"	1037.168902	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+Cl"	34.969402
"1275687"	369.035902	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Cl"	34.969402
"18974"	705.081606	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M-2H+K"	36.948606
"459628"	1039.148106	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M-2H+K"	36.948606
"838524"	371.015106	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-2H+K"	36.948606
"1556299"	371.015106	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+K-2H"	36.948606
"942963"	379.064694	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-H+HCOOH"	44.998194
"361675"	713.131201	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+HCOOH-H"	44.998201
"345835"	727.146851	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+Hac-H"	59.013851
"1493117"	393.080351	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Hac-H"	59.013851
"958876"	401.046651	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-H+NaCOOH"	66.980151
"110153"	369.035902	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+2Cl"	69.938804
"550049"	536.069152	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+2Cl"	69.938804
"1021497"	202.002652	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2Cl"	69.938804
"1242165"	412.985385	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Br"	78.918885
"1304612"	415.041372	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Cl+HCOOH"	80.974872
"1321015"	437.023329	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Cl+NaCOOH"	102.956829
"918406"	447.052086	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M-H+CF3COOH"	112.985586
"1296209"	483.028764	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Cl+CF3COOH"	148.962264
"1372188"	299.053824	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H-2H2O"	-35.012676
"1386401"	317.0638	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H-H2O"	-17.0027
"286089"	669.140276	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+H"	1.007276
"682887"	1003.206776	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+H"	1.007276
"1353769"	335.073776	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H"	1.007276
"138322"	335.073776	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+2H"	2.014552
"580806"	502.107026	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+2H"	2.014552
"1051427"	168.040526	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2H"	2.014552
"216774"	223.718276	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+3H"	3.021828
"657794"	335.073776	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+3H"	3.021828
"1177865"	112.362776	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+3H"	3.021828
"433722"	686.166823	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+NH4"	18.033823
"796907"	1020.233323	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+NH4"	18.033823
"1694330"	352.100323	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+NH4"	18.033823
"343704"	343.5870495	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+H+NH4"	19.041099
"738192"	510.6202995	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+H+NH4"	19.041099
"1492583"	176.5537995	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H+NH4"	19.041099
"405341"	691.122218	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+Na"	22.989218
"766339"	1025.188718	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+Na"	22.989218
"1608972"	357.055718	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Na"	22.989218
"320103"	346.064747	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+H+Na"	23.996494
"715804"	513.097997	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+H+Na"	23.996494
"1470719"	179.031497	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H+Na"	23.996494
"1061774"	119.69009	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2H+Na"	25.00377
"1266737"	367.099986	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+CH3OH+H"	33.033486
"383126"	707.096158	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+K"	38.963158
"743028"	1041.162658	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+K"	38.963158
"1545079"	373.029658	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+K"	38.963158
"304443"	354.051717	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+H+K"	39.970434
"696864"	521.084967	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+H+K"	39.970434
"1449590"	187.018467	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H+K"	39.970434
"238556"	710.166826	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+ACN+H"	42.033826
"1213818"	376.100326	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+ACN+H"	42.033826
"1197700"	188.553801	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+ACN+2H"	43.041102
"188983"	713.10416	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+2Na-H"	44.97116
"629145"	1047.17066	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+2Na-H"	44.97116
"1131409"	379.03766	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2Na-H"	44.97116
"173100"	357.055718	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+2Na"	45.978436
"615391"	524.088968	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+2Na"	45.978436
"1118168"	190.022468	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2Na"	45.978436
"1398774"	127.017404	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H+2Na"	46.985712
"1430033"	381.079246	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H+HCOOH"	47.012746
"220053"	362.08874	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+3H2O+2H"	56.04448
"1510113"	395.13129	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+IsoProp+H"	61.06479
"410893"	365.042688	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+Na+K"	61.952376
"772621"	532.075938	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+Na+K"	61.952376
"1668587"	198.009438	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Na+K"	61.952376
"254745"	732.148768	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+ACN+Na"	64.015768
"1232194"	398.082268	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+ACN+Na"	64.015768
"1721081"	398.105793	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+NH4+HCOOH"	64.039293
"1183883"	134.344718	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+3Na"	68.967654
"1653046"	403.061188	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Na+HCOOH"	68.994688
"161369"	745.05204	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+2K-H"	76.91904
"603114"	1079.11854	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+2K-H"	76.91904
"1086532"	410.98554	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2K-H"	76.91904
"142496"	373.029658	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"2M+2K"	77.926316
"584004"	540.062908	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"3M+2K"	77.926316
"1069608"	205.996408	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2K"	77.926316
"1107925"	413.000092	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2K+H"	78.933592
"1338477"	413.087707	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+DMSO+H"	79.021207
"1006398"	417.126876	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2ACN+H"	83.060376
"1525254"	418.120508	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+IsoProp+Na+H"	84.054008
"995227"	209.067076	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+2ACN+2H"	84.067652
"1587256"	419.035128	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+K+HCOOH"	84.968628
"1415265"	449.066638	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+H+CF3COOH"	115.000138
"1148594"	229.580351	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+3ACN+2H"	125.094202
"1699973"	466.093185	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+NH4+CF3COOH"	132.026685
"1637082"	471.04858	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+Na+CF3COOH"	136.98208
"1574196"	487.02252	"C01225"	"sn-Glycero-3-phospho-1-inositol;1-(sn-Glycero-3-phospho)-1D-myo-inositol"	"C9H19O11P"	"334.0665"	"M+K+CF3COOH"	152.95602
"807840"	292.2038	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M"	0
"988665"	273.18541	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"76178"	193.795257333333	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"511364"	291.196524	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"892449"	96.3939906666667	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"8838"	291.196524	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"450587"	437.298424	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"831309"	145.094624	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"90570"	583.400324	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"532806"	875.604124	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"904655"	291.196524	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"54656"	600.426871	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"496401"	892.630671	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"875297"	308.223071	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"36636"	605.382266	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"480571"	897.586066	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"853270"	313.178466	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1619521"	313.178466	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"100060"	309.184863	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"538892"	455.286763	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"932046"	163.082963	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"269508"	619.377002	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"662662"	911.580802	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1277619"	327.173202	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"20177"	621.356206	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"459738"	913.560006	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"838634"	329.152406	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1556288"	329.152406	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"943802"	337.201994	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"362380"	629.405801	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"346017"	643.421451	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1493186"	351.217651	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"958703"	359.183951	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"110093"	327.173202	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"550039"	473.275102	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1021362"	181.071302	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1241909"	371.122685	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1304246"	373.178672	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1321125"	395.160629	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"917422"	405.189386	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1295226"	441.166064	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1371203"	257.191124	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1384687"	275.2011	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"290574"	585.414876	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"684091"	877.618676	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1357159"	293.211076	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"140134"	293.211076	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"576171"	439.312976	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1050443"	147.109176	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"212872"	195.809809333333	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"652433"	293.211076	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1168373"	98.4085426666667	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"429821"	602.441423	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"793734"	894.645223	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1690066"	310.237623	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"341990"	301.7243495	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"736236"	447.8262495	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1488960"	155.6224495	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"402171"	607.396818	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"759887"	899.600618	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1609082"	315.193018	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"318024"	304.202047	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"714819"	450.303947	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1470828"	158.100147	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1057511"	105.735856666667	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1265753"	325.237286	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"379956"	623.370758	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"744232"	915.574558	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1543366"	331.166958	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"303458"	312.189017	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"693328"	458.290917	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1451887"	166.087117	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"240488"	626.441426	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1214293"	334.237626	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1197446"	167.622451	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"188971"	629.37876	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"628605"	921.58256	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1131755"	337.17496	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"172890"	315.193018	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"615501"	461.294918	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1116696"	169.091118	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1399006"	113.063170666667	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1430063"	339.216546	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"220285"	320.22604	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1510588"	353.26859	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"410640"	323.179988	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"771273"	469.281888	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1667968"	177.078088	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"255949"	648.423368	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1229386"	356.219568	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1721191"	356.243093	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1188733"	120.390484666667	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1654250"	361.198488	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"161115"	661.32664	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"602861"	953.53044	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1086035"	369.12284	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"142487"	331.166958	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"583021"	477.268858	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1068787"	185.065058	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1099980"	371.137392	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1340046"	371.225007	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1006144"	375.264176	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1524634"	376.257808	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"991693"	188.135726	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1588136"	377.172428	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1414770"	407.203938	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1148703"	208.649001	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1700083"	424.230485	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1637192"	429.18588	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1574306"	445.15982	"C01226"	"12-OPDA;(15Z)-12-Oxophyto-1015-dienoate;(15Z)-12-Oxophyto-1015-dienoic acid;9(S)13(S)-12-Oxo-PDA;12-Oxo-1015(Z)-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"804670"	288.2089	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M"	0
"988045"	269.19051	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"75196"	191.131990666667	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"514757"	287.201624	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"891466"	95.0623573333333	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"11136"	287.201624	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"449605"	431.306074	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"832394"	143.097174	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"89587"	575.410524	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"533402"	863.619424	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"902575"	287.201624	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"53672"	592.437071	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"494324"	880.645971	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"870305"	304.228171	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"37840"	597.392466	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"475214"	885.601366	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"854111"	309.183566	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1622185"	309.183566	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"98713"	305.189963	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"540826"	449.294413	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"931427"	161.085513	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"269621"	611.387202	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"660704"	899.596102	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1277729"	323.178302	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"22474"	613.366406	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"457295"	901.575306	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"835463"	325.157506	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1555621"	325.157506	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"942907"	333.207094	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"362483"	621.416001	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"346367"	635.431651	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1493378"	347.222751	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"958639"	355.189051	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"110053"	323.178302	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"550044"	467.282752	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1021384"	179.073852	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1241450"	367.127785	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1304832"	369.183772	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1320386"	391.165729	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"915346"	401.194486	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1296429"	437.171164	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1370221"	253.196224	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1385527"	271.2062	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"287404"	577.425076	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"678734"	865.633976	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1352895"	289.216176	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"137812"	289.216176	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"579197"	433.320626	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1051041"	145.111726	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"211888"	193.146542666667	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"649262"	289.216176	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1169574"	97.0769093333333	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"429567"	594.451623	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"793842"	882.660523	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1685802"	306.242723	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"339548"	297.7294495	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"731970"	441.8338995	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1487975"	153.6249995	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"400093"	599.407018	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"759995"	887.615918	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1605909"	311.198118	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"318134"	300.207147	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"712741"	444.311597	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1469845"	156.102697	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1058716"	104.404223333333	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1266595"	321.242386	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"383346"	615.380958	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"744341"	903.589858	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1546394"	327.172058	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"300290"	308.194117	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"693805"	452.298567	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1451997"	164.089667	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"241692"	618.451626	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1215497"	330.242726	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1199014"	165.625001	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"188880"	621.38896	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"629250"	909.59786	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1133853"	333.18006	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"174712"	311.198118	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"617069"	455.302568	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1117295"	167.093668	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1400453"	111.731537333333	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1429971"	335.221646	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"221657"	316.23114	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1508655"	349.27369	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"408795"	319.185088	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"771744"	463.289538	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1666252"	175.080638	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"253506"	640.433568	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1229495"	352.224668	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1722392"	352.248193	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1184103"	119.058851333333	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1650147"	357.203588	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"157205"	653.33684	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"597417"	941.54574	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1084229"	365.12794	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"143935"	327.172058	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"581666"	471.276508	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1068846"	183.067608	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1100238"	367.142492	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1340154"	367.230107	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1005717"	371.269276	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1524616"	372.262908	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"990464"	186.138276	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1587051"	373.177528	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1414633"	403.209038	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1147187"	206.651551	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1698005"	420.235585	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1643135"	425.19098	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1575509"	441.16492	"C01227"	"Dehydroepiandrosterone;3beta-Hydroxyandrost-5-en-17-one;Dehydroisoandrosterone;DHA;DHEA"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"811342"	602.957	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M"	0
"983781"	583.93861	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-H2O-H"	-19.01839
"75307"	400.964057333333	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M-3H"	-3.021828
"518233"	601.949724	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M-3H"	-3.021828
"893764"	199.978390666667	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-3H"	-3.021828
"14165"	601.949724	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M-2H"	-2.014552
"451904"	903.428224	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M-2H"	-2.014552
"830800"	300.471224	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-2H"	-2.014552
"90793"	1204.906724	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M-H"	-1.007276
"524886"	1807.863724	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M-H"	-1.007276
"899770"	601.949724	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-H"	-1.007276
"57063"	1221.933271	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M-2H+NH4"	16.019271
"498809"	1824.890271	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M-2H+NH4"	16.019271
"874423"	618.976271	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-2H+NH4"	16.019271
"43418"	1226.888666	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M-2H+Na"	20.974666
"480792"	1829.845666	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M-2H+Na"	20.974666
"853489"	623.931666	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-2H+Na"	20.974666
"1627034"	623.931666	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Na-2H"	20.974666
"103565"	619.938063	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M-H+Cl"	33.962126
"544220"	921.416563	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M-H+Cl"	33.962126
"934456"	318.459563	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-H+Cl"	33.962126
"274106"	1240.883402	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+Cl"	34.969402
"662517"	1843.840402	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+Cl"	34.969402
"1282214"	637.926402	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Cl"	34.969402
"22583"	1242.862606	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M-2H+K"	36.948606
"462145"	1845.819606	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M-2H+K"	36.948606
"836666"	639.905606	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-2H+K"	36.948606
"1556873"	639.905606	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+K-2H"	36.948606
"943293"	647.955194	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-H+HCOOH"	44.998194
"366249"	1250.912201	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+HCOOH-H"	44.998201
"346850"	1264.927851	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+Hac-H"	59.013851
"1493490"	661.970851	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Hac-H"	59.013851
"959092"	669.937151	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-H+NaCOOH"	66.980151
"111041"	637.926402	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+2Cl"	69.938804
"550470"	939.404902	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+2Cl"	69.938804
"1021705"	336.447902	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2Cl"	69.938804
"1242620"	681.875885	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Br"	78.918885
"1304707"	683.931872	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Cl+HCOOH"	80.974872
"1320501"	705.913829	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Cl+NaCOOH"	102.956829
"918737"	715.942586	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M-H+CF3COOH"	112.985586
"1296539"	751.919264	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Cl+CF3COOH"	148.962264
"1372518"	567.944324	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H-2H2O"	-35.012676
"1384544"	585.9543	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H-H2O"	-17.0027
"288608"	1206.921276	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+H"	1.007276
"681031"	1809.878276	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+H"	1.007276
"1357379"	603.964276	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H"	1.007276
"139017"	603.964276	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+2H"	2.014552
"572016"	905.442776	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+2H"	2.014552
"1047378"	302.485776	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2H"	2.014552
"211997"	402.978609333333	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+3H"	3.021828
"655931"	603.964276	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+3H"	3.021828
"1174056"	201.992942666667	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+3H"	3.021828
"437327"	1223.947823	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+NH4"	18.033823
"793951"	1826.904823	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+NH4"	18.033823
"1688460"	620.990823	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+NH4"	18.033823
"336376"	612.4775495	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+H+NH4"	19.041099
"728066"	913.9560495	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+H+NH4"	19.041099
"1480431"	310.9990495	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H+NH4"	19.041099
"394737"	1228.903218	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+Na"	22.989218
"755245"	1831.860218	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+Na"	22.989218
"1608205"	625.946218	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Na"	22.989218
"321523"	614.955247	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+H+Na"	23.996494
"713947"	916.433747	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+H+Na"	23.996494
"1469956"	313.476747	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H+Na"	23.996494
"1058828"	209.320256666667	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2H+Na"	25.00377
"1262695"	635.990486	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+CH3OH+H"	33.033486
"379446"	1244.877158	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+K"	38.963158
"744451"	1847.834158	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+K"	38.963158
"1542131"	641.920158	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+K"	38.963158
"300035"	622.942217	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+H+K"	39.970434
"692454"	924.420717	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+H+K"	39.970434
"1451014"	321.463717	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H+K"	39.970434
"238158"	1247.947826	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+ACN+H"	42.033826
"1210500"	644.990826	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+ACN+H"	42.033826
"1195113"	322.999051	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+ACN+2H"	43.041102
"189196"	1250.88516	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+2Na-H"	44.97116
"629075"	1853.84216	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+2Na-H"	44.97116
"1132140"	647.92816	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2Na-H"	44.97116
"173115"	625.946218	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+2Na"	45.978436
"613530"	927.424718	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+2Na"	45.978436
"1116186"	324.467718	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2Na"	45.978436
"1398975"	216.647570666667	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H+2Na"	46.985712
"1430157"	649.969746	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H+HCOOH"	47.012746
"220055"	630.97924	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+3H2O+2H"	56.04448
"1508844"	664.02179	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+IsoProp+H"	61.06479
"408695"	633.933188	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+Na+K"	61.952376
"770228"	935.411688	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+Na+K"	61.952376
"1666120"	332.454688	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Na+K"	61.952376
"253247"	1269.929768	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+ACN+Na"	64.015768
"1226320"	666.972768	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+ACN+Na"	64.015768
"1713507"	666.996293	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+NH4+HCOOH"	64.039293
"1184578"	223.974884666667	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+3Na"	68.967654
"1653013"	671.951688	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Na+HCOOH"	68.994688
"161333"	1282.83304	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+2K-H"	76.91904
"601259"	1885.79004	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+2K-H"	76.91904
"1086498"	679.87604	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2K-H"	76.91904
"141422"	641.920158	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"2M+2K"	77.926316
"582997"	943.398658	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"3M+2K"	77.926316
"1071764"	340.441658	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2K"	77.926316
"1100110"	681.890592	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2K+H"	78.933592
"1336131"	681.978207	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+DMSO+H"	79.021207
"1010982"	686.017376	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2ACN+H"	83.060376
"1524732"	687.011008	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+IsoProp+Na+H"	84.054008
"990572"	343.512326	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+2ACN+2H"	84.067652
"1587025"	687.925628	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+K+HCOOH"	84.968628
"1416818"	717.957138	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+H+CF3COOH"	115.000138
"1151482"	364.025601	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+3ACN+2H"	125.094202
"1699940"	734.983685	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+NH4+CF3COOH"	132.026685
"1637049"	739.93908	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+Na+CF3COOH"	136.98208
"1574526"	755.91302	"C01228"	"Guanosine 35-bis(diphosphate);Guanosine 3-diphosphate 5-diphosphate;Guanosine 5-diphosphate3-diphosphate"	"C10H17N5O17P4"	"602.957"	"M+K+CF3COOH"	152.95602
"804891"	586.3188	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M"	0
"978424"	567.30041	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H2O-H"	-19.01839
"67762"	389.871924	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-3H"	-3.021828
"510602"	585.311524	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-3H"	-3.021828
"889499"	194.432324	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-3H"	-3.021828
"9169"	585.311524	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H"	-2.014552
"450917"	878.470924	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H"	-2.014552
"828720"	292.152124	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H"	-2.014552
"91994"	1171.630324	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-H"	-1.007276
"526089"	1757.949124	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-H"	-1.007276
"904984"	585.311524	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H"	-1.007276
"58266"	1188.656871	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+NH4"	16.019271
"501106"	1774.975671	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+NH4"	16.019271
"877813"	602.338071	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+NH4"	16.019271
"46200"	1193.612266	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+Na"	20.974666
"481993"	1779.931066	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+Na"	20.974666
"856515"	607.293466	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+Na"	20.974666
"1630424"	607.293466	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na-2H"	20.974666
"103675"	603.299863	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-H+Cl"	33.962126
"538863"	896.459263	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-H+Cl"	33.962126
"933474"	310.140463	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+Cl"	33.962126
"274217"	1207.607002	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Cl"	34.969402
"672108"	1793.925802	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Cl"	34.969402
"1280137"	621.288202	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl"	34.969402
"22694"	1209.586206	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+K"	36.948606
"464444"	1795.905006	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+K"	36.948606
"838964"	623.267406	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+K"	36.948606
"1556984"	623.267406	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K-2H"	36.948606
"943163"	631.316994	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+HCOOH"	44.998194
"361550"	1217.635801	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+HCOOH-H"	44.998201
"346231"	1231.651451	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Hac-H"	59.013851
"1493479"	645.332651	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Hac-H"	59.013851
"959448"	653.298951	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+NaCOOH"	66.980151
"110292"	621.288202	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Cl"	69.938804
"550337"	914.447602	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Cl"	69.938804
"1021941"	328.128802	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Cl"	69.938804
"1242125"	665.237685	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Br"	78.918885
"1304447"	667.293672	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+HCOOH"	80.974872
"1332893"	689.275629	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+NaCOOH"	102.956829
"926140"	699.304386	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+CF3COOH"	112.985586
"1295559"	735.281064	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+CF3COOH"	148.962264
"1368735"	551.306124	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H-2H2O"	-35.012676
"1383924"	569.3161	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H-H2O"	-17.0027
"289811"	1173.644876	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H"	1.007276
"689524"	1759.963676	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H"	1.007276
"1357488"	587.326076	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H"	1.007276
"138035"	587.326076	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2H"	2.014552
"580148"	880.485476	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2H"	2.014552
"1042022"	294.166676	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2H"	2.014552
"210285"	391.886476	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+3H"	3.021828
"653855"	587.326076	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+3H"	3.021828
"1171979"	196.446876	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+3H"	3.021828
"438047"	1190.671423	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+NH4"	18.033823
"792967"	1776.990223	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+NH4"	18.033823
"1688205"	604.352623	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4"	18.033823
"339768"	595.8393495	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+NH4"	19.041099
"730001"	888.9987495	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+NH4"	19.041099
"1484915"	302.6799495	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+NH4"	19.041099
"400315"	1195.626818	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Na"	22.989218
"760217"	1781.945618	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Na"	22.989218
"1611598"	609.308018	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na"	22.989218
"323822"	598.317047	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+Na"	23.996494
"717338"	891.476447	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+Na"	23.996494
"1466782"	305.157647	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+Na"	23.996494
"1057842"	203.77419	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2H+Na"	25.00377
"1262802"	619.352286	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+CH3OH+H"	33.033486
"384658"	1211.600758	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+K"	38.963158
"740182"	1797.919558	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+K"	38.963158
"1540896"	625.281958	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K"	38.963158
"299045"	606.304017	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+K"	39.970434
"691629"	899.463417	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+K"	39.970434
"1445852"	313.144617	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+K"	39.970434
"237174"	1214.671426	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+ACN+H"	42.033826
"1210483"	628.352626	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+H"	42.033826
"1194858"	314.679951	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+2H"	43.041102
"189305"	1217.60876	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Na-H"	44.97116
"629352"	1803.92756	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Na-H"	44.97116
"1132373"	631.28996	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Na-H"	44.97116
"173960"	609.308018	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Na"	45.978436
"613636"	902.467418	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Na"	45.978436
"1116542"	316.148618	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Na"	45.978436
"1399332"	211.101504	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+2Na"	46.985712
"1431204"	633.331546	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+HCOOH"	47.012746
"221517"	614.34104	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+3H2O+2H"	56.04448
"1509083"	647.38359	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+IsoProp+H"	61.06479
"409261"	617.294988	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Na+K"	61.952376
"770098"	910.454388	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Na+K"	61.952376
"1666110"	324.135588	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+K"	61.952376
"252631"	1236.653368	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+ACN+Na"	64.015768
"1227525"	650.334568	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+Na"	64.015768
"1716779"	650.358093	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4+HCOOH"	64.039293
"1182500"	218.428818	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+3Na"	68.967654
"1661146"	655.313488	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+HCOOH"	68.994688
"165820"	1249.55664	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2K-H"	76.91904
"602462"	1835.87544	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2K-H"	76.91904
"1085151"	663.23784	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K-H"	76.91904
"143061"	625.281958	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2K"	77.926316
"581770"	918.441358	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2K"	77.926316
"1068495"	332.122558	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K"	77.926316
"1100343"	665.252392	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K+H"	78.933592
"1335878"	665.340007	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+DMSO+H"	79.021207
"1005989"	669.379176	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2ACN+H"	83.060376
"1525087"	670.372808	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+IsoProp+Na+H"	84.054008
"990684"	335.193226	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2ACN+2H"	84.067652
"1587736"	671.287428	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K+HCOOH"	84.968628
"1416196"	701.318938	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+CF3COOH"	115.000138
"1154872"	355.706501	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+3ACN+2H"	125.094202
"1705517"	718.345485	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4+CF3COOH"	132.026685
"1643358"	723.30088	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+CF3COOH"	136.98208
"1584478"	739.27482	"C01230"	"all-trans-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K+CF3COOH"	152.95602
"805001"	339.996	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"981813"	320.97761	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"73337"	225.656724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"511805"	338.988724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"885235"	112.324724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"5997"	338.988724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"447746"	508.986724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"831016"	168.990724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"92468"	678.984724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"530574"	1018.980724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"909102"	338.988724	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"59469"	696.011271	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"500974"	1036.007271	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"878532"	356.015271	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"45458"	700.966666	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"478823"	1040.962666	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"859907"	360.970666	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1631628"	360.970666	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"103786"	356.977063	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"541161"	526.975063	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"933583"	186.979063	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"268978"	714.961402	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"668939"	1054.957402	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1285351"	374.965402	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"29365"	716.940606	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"459085"	1056.936606	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"835792"	376.944606	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1558187"	376.944606	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"943392"	384.994194	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"361850"	724.990201	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"346580"	739.005851	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1493464"	399.009851	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"964542"	406.976151	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"110400"	374.965402	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"550572"	544.963402	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1022414"	204.967402	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1243573"	418.914885	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1306387"	420.970872	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1333367"	442.952829	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"925159"	452.981586	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1295669"	488.958264	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1368724"	304.983324	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1386223"	322.9933	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"292107"	680.999276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"686717"	1020.995276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1358692"	341.003276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"139605"	341.003276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"579897"	511.001276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1045411"	171.005276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"211125"	227.671276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"651779"	341.003276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1176830"	114.339276	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"438886"	698.025823	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"798545"	1038.021823	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1687950"	358.029823	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"341698"	349.5165495	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"731200"	519.5145495	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1481745"	179.5185495	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"403705"	702.981218	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"759234"	1042.977218	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1611709"	362.985218	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"320653"	351.994247	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"719635"	521.992247	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1472360"	181.996247	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1064515"	121.66659	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1264007"	373.029486	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"382583"	718.955158	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"741755"	1058.951158	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1539991"	378.959158	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"299036"	359.981217	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"692188"	529.979217	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1447225"	189.983217	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"236922"	722.025826	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1211086"	382.029826	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1195696"	191.518551	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"189009"	724.96316	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"628972"	1064.95916	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1131951"	384.96716	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"174312"	362.985218	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"613749"	532.983218	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1117017"	192.987218	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1399807"	128.993904	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1431802"	387.008746	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"221262"	368.01824	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1509193"	401.06079	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"409126"	370.972188	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"770605"	540.970188	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1666580"	200.974188	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"252376"	744.007768	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1226052"	404.011768	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1715431"	404.035293	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1180057"	136.321218	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1652868"	408.990688	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"164834"	756.91104	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"602208"	1096.90704	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1086356"	416.91504	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"142805"	378.959158	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"582488"	548.957158	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1068857"	208.961158	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1101306"	418.929592	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1336840"	419.017207	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1006704"	423.056376	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1525436"	424.050008	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"991036"	212.031826	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1587600"	424.964628	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1416306"	454.996138	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1150607"	232.545101	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1705627"	472.022685	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1643468"	476.97808	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1584588"	492.95202	"C01231"	"alpha-D-Glucose 16-bisphosphate;alpha-D-Glucose 16-biphosphate;D-Glucose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"805111"	215.0559	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M"	0
"981923"	196.03751	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-H2O-H"	-19.01839
"73447"	142.363324	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M-3H"	-3.021828
"514102"	214.048624	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M-3H"	-3.021828
"888625"	70.678024	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-3H"	-3.021828
"7200"	214.048624	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M-2H"	-2.014552
"450043"	321.576574	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M-2H"	-2.014552
"828941"	106.520674	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-2H"	-2.014552
"93065"	429.104524	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M-H"	-1.007276
"525216"	644.160424	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M-H"	-1.007276
"907392"	214.048624	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-H"	-1.007276
"58485"	446.131071	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M-2H+NH4"	16.019271
"499140"	661.186971	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M-2H+NH4"	16.019271
"876941"	231.075171	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-2H+NH4"	16.019271
"46057"	451.086466	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M-2H+Na"	20.974666
"478934"	666.142366	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M-2H+Na"	20.974666
"853821"	236.030566	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-2H+Na"	20.974666
"1627364"	236.030566	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Na-2H"	20.974666
"102803"	232.036963	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M-H+Cl"	33.962126
"541271"	339.564913	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M-H+Cl"	33.962126
"933693"	124.509013	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-H+Cl"	33.962126
"270059"	465.081202	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+Cl"	34.969402
"670142"	680.137102	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+Cl"	34.969402
"1286918"	250.025302	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Cl"	34.969402
"29475"	467.060406	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M-2H+K"	36.948606
"461381"	682.116306	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M-2H+K"	36.948606
"835902"	252.004506	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-2H+K"	36.948606
"1558297"	252.004506	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+K-2H"	36.948606
"943746"	260.054094	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-H+HCOOH"	44.998194
"364027"	475.110001	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+HCOOH-H"	44.998201
"346817"	489.125651	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+Hac-H"	59.013851
"1492972"	274.069751	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Hac-H"	59.013851
"964652"	282.036051	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-H+NaCOOH"	66.980151
"110394"	250.025302	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+2Cl"	69.938804
"552145"	357.553252	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+2Cl"	69.938804
"1025199"	142.497352	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2Cl"	69.938804
"1244777"	293.974785	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Br"	78.918885
"1306497"	296.030772	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Cl+HCOOH"	80.974872
"1332384"	318.012729	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Cl+NaCOOH"	102.956829
"925631"	328.041486	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M-H+CF3COOH"	112.985586
"1297965"	364.018164	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Cl+CF3COOH"	148.962264
"1368104"	180.043224	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H-2H2O"	-35.012676
"1385238"	198.0532	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H-H2O"	-17.0027
"290030"	431.119076	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+H"	1.007276
"685733"	646.174976	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+H"	1.007276
"1358800"	216.063176	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H"	1.007276
"139714"	216.063176	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+2H"	2.014552
"579641"	323.591126	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+2H"	2.014552
"1044428"	108.535226	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2H"	2.014552
"210141"	144.377876	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+3H"	3.021828
"649702"	216.063176	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+3H"	3.021828
"1176573"	72.692576	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+3H"	3.021828
"438874"	448.145623	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+NH4"	18.033823
"793187"	663.201523	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+NH4"	18.033823
"1692799"	233.089723	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+NH4"	18.033823
"338892"	224.5764495	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+H+NH4"	19.041099
"731312"	332.1043995	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+H+NH4"	19.041099
"1478574"	117.0484995	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H+NH4"	19.041099
"403815"	453.101018	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+Na"	22.989218
"760437"	668.156918	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+Na"	22.989218
"1611819"	238.045118	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Na"	22.989218
"320763"	227.054147	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+H+Na"	23.996494
"717558"	334.582097	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+H+Na"	23.996494
"1467003"	119.526197	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H+Na"	23.996494
"1063528"	80.01989	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2H+Na"	25.00377
"1265209"	248.089386	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+CH3OH+H"	33.033486
"378073"	469.074958	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+K"	38.963158
"741866"	684.130858	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+K"	38.963158
"1541001"	254.019058	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+K"	38.963158
"299263"	235.041117	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+H+K"	39.970434
"691809"	342.569067	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+H+K"	39.970434
"1446360"	127.513167	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H+K"	39.970434
"237394"	472.145626	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+ACN+H"	42.033826
"1210710"	257.089726	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+ACN+H"	42.033826
"1194709"	129.048501	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+ACN+2H"	43.041102
"189528"	475.08296	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+2Na-H"	44.97116
"628694"	690.13886	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+2Na-H"	44.97116
"1131620"	260.02706	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2Na-H"	44.97116
"174423"	238.045118	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+2Na"	45.978436
"613376"	345.573068	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+2Na"	45.978436
"1116517"	130.517168	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2Na"	45.978436
"1400287"	87.347204	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H+2Na"	46.985712
"1430939"	262.068646	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H+HCOOH"	47.012746
"220884"	243.07814	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+3H2O+2H"	56.04448
"1508820"	276.12069	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+IsoProp+H"	61.06479
"408774"	246.032088	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+Na+K"	61.952376
"770354"	353.560038	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+Na+K"	61.952376
"1666934"	138.504138	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Na+K"	61.952376
"252482"	494.127568	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+ACN+Na"	64.015768
"1226405"	279.071668	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+ACN+Na"	64.015768
"1714321"	279.095193	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+NH4+HCOOH"	64.039293
"1179801"	94.674518	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+3Na"	68.967654
"1653343"	284.050588	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Na+HCOOH"	68.994688
"163851"	507.03084	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+2K-H"	76.91904
"600495"	722.08674	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+2K-H"	76.91904
"1086101"	291.97494	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2K-H"	76.91904
"144741"	254.019058	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"2M+2K"	77.926316
"581869"	361.547008	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"3M+2K"	77.926316
"1069289"	146.491108	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2K"	77.926316
"1104212"	293.989492	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2K+H"	78.933592
"1338775"	294.077107	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+DMSO+H"	79.021207
"1007056"	298.116276	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2ACN+H"	83.060376
"1527252"	299.109908	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+IsoProp+Na+H"	84.054008
"991025"	149.561776	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+2ACN+2H"	84.067652
"1587222"	300.024528	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+K+HCOOH"	84.968628
"1416052"	330.056038	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+H+CF3COOH"	115.000138
"1151810"	170.075051	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+3ACN+2H"	125.094202
"1703550"	347.082585	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+NH4+CF3COOH"	132.026685
"1643578"	352.03798	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+Na+CF3COOH"	136.98208
"1584698"	368.01192	"C01233"	"sn-Glycero-3-phosphoethanolamine;Glycerophosphoethanolamine"	"C5H14NO6P"	"215.0559"	"M+K+CF3COOH"	152.95602
"805221"	101.0477	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M"	0
"982033"	82.02931	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"70277"	66.3578573333333	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"510933"	100.040424	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"884363"	32.6752906666667	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"4032"	100.040424	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"450154"	150.564274	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"827958"	49.516574	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"90138"	201.088124	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"526420"	302.135824	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"908231"	100.040424	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"59690"	218.114671	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"495970"	319.162371	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"873772"	117.066971	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"42767"	223.070066	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"479044"	324.117766	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"853931"	122.022366	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1624557"	122.022366	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"101820"	118.028763	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"538100"	168.552613	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"933803"	67.504913	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"268712"	237.064802	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"671344"	338.112502	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1287028"	136.017102	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"25211"	239.044006	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"464772"	340.091706	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"836012"	137.996306	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1558403"	137.996306	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"942868"	146.045894	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"361415"	247.093601	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"345874"	261.109251	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1495033"	160.061551	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"962575"	168.027851	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"109999"	136.017102	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"551163"	186.540952	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1025309"	85.493252	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1242699"	179.966585	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1304541"	182.022572	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1332494"	204.004529	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"924284"	214.033286	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1294795"	250.009964	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1367056"	66.035024	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1384256"	84.045	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"290140"	203.102676	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"686937"	304.150376	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1355630"	102.054976	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"139459"	102.054976	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"578658"	152.578826	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1045631"	51.531126	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"208064"	68.3724093333333	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"650905"	102.054976	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1177417"	34.6898426666667	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"437769"	220.129223	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"791112"	321.176923	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1690722"	119.081523	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"331712"	110.5682495	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"727049"	161.0920995	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1477115"	60.0443995	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"402833"	225.084618	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"761640"	326.132318	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1605608"	124.036918	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"320873"	113.045947	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"717669"	163.569797	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1463833"	62.522097	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1061451"	42.0171566666667	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1263132"	134.081186	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"379886"	241.058558	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"741612"	342.106258	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1543300"	140.010858	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"298803"	121.032917	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"691673"	171.556767	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1446715"	70.509067	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"236777"	244.129226	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1210699"	143.081526	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1194250"	72.044401	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"188589"	247.06656	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"628669"	348.11426	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1131855"	146.01886	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"173683"	124.036918	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"612834"	174.560768	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1116391"	73.513068	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1399185"	49.3444706666667	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1430932"	148.060446	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"220021"	129.06994	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1508811"	162.11249	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"409470"	132.023888	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"771192"	182.547738	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1666076"	81.500038	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"251745"	266.111168	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1226396"	165.063468	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1713585"	165.086993	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1182101"	56.6717846666667	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1654913"	170.042388	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"162868"	279.01444	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"604616"	380.06214	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1091316"	177.96674	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"142419"	140.010858	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"581735"	190.534708	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1068559"	89.487008	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1103229"	179.981292	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1340709"	180.068907	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1011425"	184.108076	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1524322"	185.101708	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"990020"	92.557676	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1590501"	186.016328	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1416160"	216.047838	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1147905"	113.070951	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1700378"	233.074385	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1637127"	238.02978	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1584808"	254.00372	"C01234"	"1-Aminocyclopropane-1-carboxylate;1-Aminocyclopropane-1-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"802052"	342.1162	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M"	0
"985426"	323.09781	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"73669"	227.070190666667	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"511043"	341.108924	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"887753"	113.031457333333	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"9610"	341.108924	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"448078"	512.167024	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"829160"	170.050824	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"91221"	683.225124	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"527623"	1025.341324	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"903239"	341.108924	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"57613"	700.251671	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"496081"	1042.367871	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"869509"	358.135471	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"41783"	705.207066	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"481341"	1047.323266	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"858051"	363.090866	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1621025"	363.090866	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"100836"	359.097263	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"543677"	530.155363	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"937195"	188.039163	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"274658"	719.201802	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"672549"	1061.318002	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1286045"	377.085602	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"26416"	721.181006	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"465976"	1063.297206	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"840497"	379.064806	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1560704"	379.064806	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"945306"	387.114394	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"364615"	729.230601	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"347405"	743.246251	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1498424"	401.130051	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"961590"	409.096351	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"111591"	377.085602	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"553339"	548.143702	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1024325"	206.027502	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1246092"	421.035085	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1308539"	423.091072	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1333698"	445.073029	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"923665"	455.101786	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1294905"	491.078464	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1367190"	307.103524	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1384730"	325.1135	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"290250"	685.239676	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"687047"	1027.355876	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1362306"	343.123476	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"135194"	343.123476	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"575848"	514.181576	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1045741"	172.065376	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"208174"	229.084742666667	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"651013"	343.123476	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1172419"	115.046009333333	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"436785"	702.266223	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795595"	1044.382423	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1693018"	360.150023	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"334737"	351.6367495	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"727158"	522.6948495	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1478066"	180.5786495	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"396382"	707.221618	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"758470"	1049.337818	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1608758"	365.105418	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"323172"	354.114447	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"716686"	525.172547	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1468318"	183.056347	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1059378"	122.373323333333	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1262515"	375.149686	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"380726"	723.195558	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"741722"	1065.311758	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1544139"	381.079358	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"300583"	362.101417	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"693732"	533.159517	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1448646"	191.043317	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"240532"	726.266226	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1215429"	384.150026	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1197487"	192.578651	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"189507"	729.20356	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"629918"	1071.31976	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1132694"	387.08736	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"175253"	365.105418	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"614449"	536.163518	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1117224"	194.047318	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1400019"	129.700637333333	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1431046"	389.128946	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"220620"	370.13844	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1509892"	403.18099	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"411038"	373.092388	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"770619"	544.150488	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1667275"	202.034288	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"252700"	748.248168	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1227235"	406.131968	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1716856"	406.155493	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1179289"	137.027951333333	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1650070"	411.110888	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"157746"	761.15144	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"597342"	1103.26764	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1084616"	419.03524	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"141676"	381.079358	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"581554"	552.137458	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1070232"	210.021258	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1100162"	421.049792	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1337657"	421.137407	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1008252"	425.176576	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1527473"	426.170208	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"992826"	213.091926	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1587360"	427.084828	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1414563"	457.116338	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1150208"	233.605201	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1697572"	474.142885	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1637238"	479.09828	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1584918"	495.07222	"C01235"	"alpha-D-Galactosyl-(1-3)-1D-myo-inositol;O-alpha-D-Galactosyl-(1-3)-1D-myo-inositol;3-O-alpha-D-Galactosyl-1D-myo-inositol;1-alpha-D-Galactosyl-myo-inositol;Galactinol"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"815285"	258.0141	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M"	0
"984444"	238.99571	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-H2O-H"	-19.01839
"74873"	171.002124	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M-3H"	-3.021828
"504594"	257.006824	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M-3H"	-3.021828
"881542"	84.997424	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-3H"	-3.021828
"5342"	257.006824	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M-2H"	-2.014552
"443810"	386.013874	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M-2H"	-2.014552
"825989"	127.999774	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-2H"	-2.014552
"90356"	515.020924	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M-H"	-1.007276
"529918"	773.035024	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M-H"	-1.007276
"904442"	257.006824	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-H"	-1.007276
"60518"	532.047471	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M-2H+NH4"	16.019271
"491451"	790.061571	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M-2H+NH4"	16.019271
"869618"	274.033371	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-2H+NH4"	16.019271
"44687"	537.002866	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M-2H+Na"	20.974666
"483638"	795.016966	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M-2H+Na"	20.974666
"854514"	278.988766	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-2H+Na"	20.974666
"1620771"	278.988766	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Na-2H"	20.974666
"95479"	274.995163	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M-H+Cl"	33.962126
"542694"	404.002213	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M-H+Cl"	33.962126
"931838"	145.988113	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-H+Cl"	33.962126
"274768"	550.997602	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+Cl"	34.969402
"669379"	809.011702	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+Cl"	34.969402
"1279595"	292.983502	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Cl"	34.969402
"23246"	552.976806	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M-2H+K"	36.948606
"466087"	810.990906	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M-2H+K"	36.948606
"837324"	294.962706	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-2H+K"	36.948606
"1558628"	294.962706	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+K-2H"	36.948606
"945416"	303.012294	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-H+HCOOH"	44.998194
"361412"	561.026401	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+HCOOH-H"	44.998201
"349702"	575.042051	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+Hac-H"	59.013851
"1500720"	317.027951	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Hac-H"	59.013851
"961701"	324.994251	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-H+NaCOOH"	66.980151
"113889"	292.983502	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+2Cl"	69.938804
"556729"	421.990552	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+2Cl"	69.938804
"1028809"	163.976452	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2Cl"	69.938804
"1247295"	336.932985	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Br"	78.918885
"1306827"	338.988972	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Cl+HCOOH"	80.974872
"1332351"	360.970929	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Cl+NaCOOH"	102.956829
"922681"	370.999686	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M-H+CF3COOH"	112.985586
"1297200"	406.976364	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Cl+CF3COOH"	148.962264
"1370989"	223.001424	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H-2H2O"	-35.012676
"1383371"	241.0114	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H-H2O"	-17.0027
"289267"	517.035476	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+H"	1.007276
"686792"	775.049576	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+H"	1.007276
"1363146"	259.021376	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H"	1.007276
"136034"	259.021376	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+2H"	2.014552
"575594"	388.028426	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+2H"	2.014552
"1045851"	130.014326	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2H"	2.014552
"208284"	173.016676	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+3H"	3.021828
"651123"	259.021376	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+3H"	3.021828
"1172529"	87.011976	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+3H"	3.021828
"433615"	534.062023	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+NH4"	18.033823
"791331"	792.076123	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+NH4"	18.033823
"1692035"	276.047923	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+NH4"	18.033823
"334847"	267.5346495	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+H+NH4"	19.041099
"724352"	396.5416995	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+H+NH4"	19.041099
"1479998"	138.5275995	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H+NH4"	19.041099
"400867"	539.017418	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+Na"	22.989218
"757487"	797.031518	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+Na"	22.989218
"1612148"	281.003318	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Na"	22.989218
"319999"	270.012347	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+H+Na"	23.996494
"712421"	399.019397	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+H+Na"	23.996494
"1462960"	141.005297	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H+Na"	23.996494
"1057299"	94.33929	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2H+Na"	25.00377
"1261531"	291.047586	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+CH3OH+H"	33.033486
"381932"	554.991358	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+K"	38.963158
"742196"	813.005458	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+K"	38.963158
"1542790"	296.977258	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+K"	38.963158
"300692"	277.999317	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+H+K"	39.970434
"692261"	407.006367	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+H+K"	39.970434
"1446445"	148.992267	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H+K"	39.970434
"237360"	558.062026	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+ACN+H"	42.033826
"1213716"	300.047926	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+ACN+H"	42.033826
"1197598"	150.527601	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+ACN+2H"	43.041102
"189976"	560.99936	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+2Na-H"	44.97116
"631120"	819.01346	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+2Na-H"	44.97116
"1133534"	302.98526	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2Na-H"	44.97116
"176460"	281.003318	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+2Na"	45.978436
"616748"	410.010368	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+2Na"	45.978436
"1119525"	151.996268	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2Na"	45.978436
"1404871"	101.666604	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H+2Na"	46.985712
"1432249"	305.026846	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H+HCOOH"	47.012746
"222311"	286.03634	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+3H2O+2H"	56.04448
"1509638"	319.07889	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+IsoProp+H"	61.06479
"410056"	288.990288	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+Na+K"	61.952376
"771413"	417.997338	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+Na+K"	61.952376
"1666775"	159.983238	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Na+K"	61.952376
"252809"	580.043968	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+ACN+Na"	64.015768
"1226976"	322.029868	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+ACN+Na"	64.015768
"1715139"	322.053393	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+NH4+HCOOH"	64.039293
"1179398"	108.993918	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+3Na"	68.967654
"1650217"	327.008788	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Na+HCOOH"	68.994688
"157729"	592.94724	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+2K-H"	76.91904
"598027"	850.96134	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+2K-H"	76.91904
"1084724"	334.93314	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2K-H"	76.91904
"142148"	296.977258	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"2M+2K"	77.926316
"581752"	425.984308	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"3M+2K"	77.926316
"1069011"	167.970208	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2K"	77.926316
"1100526"	336.947692	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2K+H"	78.933592
"1336302"	337.035307	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+DMSO+H"	79.021207
"1006170"	341.074476	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2ACN+H"	83.060376
"1524292"	342.068108	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+IsoProp+Na+H"	84.054008
"992936"	171.040876	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+2ACN+2H"	84.067652
"1587351"	342.982728	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+K+HCOOH"	84.968628
"1414279"	373.014238	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+H+CF3COOH"	115.000138
"1147522"	191.554151	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+3ACN+2H"	125.094202
"1697311"	390.040785	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+NH4+CF3COOH"	132.026685
"1643910"	394.99618	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+Na+CF3COOH"	136.98208
"1585028"	410.97012	"C01236"	"D-Glucono-15-lactone 6-phosphate;6-Phospho-D-glucono-15-lactone"	"C6H11O9P"	"258.0141"	"M+K+CF3COOH"	152.95602
"814300"	220.1059	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M"	0
"989787"	201.08751	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-H2O-H"	-19.01839
"74985"	145.729990666667	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M-3H"	-3.021828
"516377"	219.098624	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M-3H"	-3.021828
"894539"	72.3613573333333	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-3H"	-3.021828
"12020"	219.098624	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M-2H"	-2.014552
"452674"	329.151574	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M-2H"	-2.014552
"829383"	109.045674	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-2H"	-2.014552
"88285"	439.204524	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M-H"	-1.007276
"522377"	659.310424	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M-H"	-1.007276
"903459"	219.098624	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-H"	-1.007276
"57833"	456.231071	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M-2H+NH4"	16.019271
"501285"	676.336971	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M-2H+NH4"	16.019271
"878598"	236.125171	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-2H+NH4"	16.019271
"45285"	461.186466	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M-2H+Na"	20.974666
"485571"	681.292366	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M-2H+Na"	20.974666
"863135"	241.080566	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-2H+Na"	20.974666
"1625620"	241.080566	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Na-2H"	20.974666
"105431"	237.086963	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M-H+Cl"	33.962126
"538431"	347.139913	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M-H+Cl"	33.962126
"936321"	127.034013	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-H+Cl"	33.962126
"274878"	475.181202	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+Cl"	34.969402
"671677"	695.287102	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+Cl"	34.969402
"1276426"	255.075302	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Cl"	34.969402
"23356"	477.160406	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M-2H+K"	36.948606
"461822"	697.266306	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M-2H+K"	36.948606
"838529"	257.054506	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-2H+K"	36.948606
"1568579"	257.054506	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+K-2H"	36.948606
"948807"	265.104094	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-H+HCOOH"	44.998194
"370302"	485.210001	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+HCOOH-H"	44.998201
"352001"	499.225651	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+Hac-H"	59.013851
"1499739"	279.119751	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Hac-H"	59.013851
"967280"	287.086051	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-H+NaCOOH"	66.980151
"117280"	255.075302	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+2Cl"	69.938804
"557935"	365.128252	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+2Cl"	69.938804
"1027829"	145.022352	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2Cl"	69.938804
"1247408"	299.024785	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Br"	78.918885
"1314231"	301.080772	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Cl+HCOOH"	80.974872
"1333437"	323.062729	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Cl+NaCOOH"	102.956829
"924614"	333.091486	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M-H+CF3COOH"	112.985586
"1297311"	369.068164	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Cl+CF3COOH"	148.962264
"1378753"	185.093224	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H-2H2O"	-35.012676
"1389690"	203.1032	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H-H2O"	-17.0027
"287191"	441.219076	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+H"	1.007276
"683985"	661.324976	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+H"	1.007276
"1363623"	221.113176	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H"	1.007276
"135414"	221.113176	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+2H"	2.014552
"569870"	331.166126	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+2H"	2.014552
"1045961"	111.060226	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2H"	2.014552
"216049"	147.744542666667	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+3H"	3.021828
"651234"	221.113176	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+3H"	3.021828
"1171548"	74.3759093333333	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+3H"	3.021828
"431540"	458.245623	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+NH4"	18.033823
"792536"	678.351523	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+NH4"	18.033823
"1689959"	238.139723	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+NH4"	18.033823
"336051"	229.6264495	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+H+NH4"	19.041099
"726287"	339.6793995	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+H+NH4"	19.041099
"1483390"	119.5734995	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H+NH4"	19.041099
"403163"	463.201018	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+Na"	22.989218
"763066"	683.306918	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+Na"	22.989218
"1614445"	243.095118	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Na"	22.989218
"323392"	232.104147	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+H+Na"	23.996494
"715814"	342.157097	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+H+Na"	23.996494
"1470727"	122.051197	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H+Na"	23.996494
"1063973"	81.7032233333333	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2H+Na"	25.00377
"1264559"	253.139386	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+CH3OH+H"	33.033486
"387509"	479.174958	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+K"	38.963158
"746317"	699.280858	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+K"	38.963158
"1547277"	259.069058	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+K"	38.963158
"299711"	240.091117	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+H+K"	39.970434
"695050"	350.144067	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+H+K"	39.970434
"1447045"	130.038167	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H+K"	39.970434
"239659"	482.245626	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+ACN+H"	42.033826
"1215650"	262.139726	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+ACN+H"	42.033826
"1196250"	131.573501	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+ACN+2H"	43.041102
"193862"	485.18296	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+2Na-H"	44.97116
"639254"	705.28886	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+2Na-H"	44.97116
"1139478"	265.07706	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2Na-H"	44.97116
"181676"	243.095118	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+2Na"	45.978436
"615403"	353.148068	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+2Na"	45.978436
"1118544"	133.042168	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2Na"	45.978436
"1400610"	89.0305373333333	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H+2Na"	46.985712
"1431267"	267.118646	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H+HCOOH"	47.012746
"225711"	248.12814	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+3H2O+2H"	56.04448
"1511586"	281.17069	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+IsoProp+H"	61.06479
"410906"	251.082088	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+Na+K"	61.952376
"772990"	361.135038	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+Na+K"	61.952376
"1668591"	141.029138	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Na+K"	61.952376
"255842"	504.227568	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+ACN+Na"	64.015768
"1228188"	284.121668	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+ACN+Na"	64.015768
"1714763"	284.145193	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+NH4+HCOOH"	64.039293
"1182431"	96.3578513333333	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+3Na"	68.967654
"1654150"	289.100588	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Na+HCOOH"	68.994688
"158094"	517.13084	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+2K-H"	76.91904
"603853"	737.23674	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+2K-H"	76.91904
"1085692"	297.02494	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2K-H"	76.91904
"147370"	259.069058	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"2M+2K"	77.926316
"582309"	369.122008	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"3M+2K"	77.926316
"1071445"	149.016108	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2K"	77.926316
"1102465"	299.039492	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2K+H"	78.933592
"1345411"	299.127107	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+DMSO+H"	79.021207
"1010660"	303.166276	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2ACN+H"	83.060376
"1524777"	304.159908	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+IsoProp+Na+H"	84.054008
"995236"	152.086776	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+2ACN+2H"	84.067652
"1589371"	305.074528	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+K+HCOOH"	84.968628
"1415031"	335.106038	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+H+CF3COOH"	115.000138
"1147307"	172.600051	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+3ACN+2H"	125.094202
"1697422"	352.132585	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+NH4+CF3COOH"	132.026685
"1644020"	357.08798	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+Na+CF3COOH"	136.98208
"1585138"	373.06192	"C01239"	"N-Acetyl-beta-D-glucosaminylamine"	"C8H16N2O5"	"220.1059"	"M+K+CF3COOH"	152.95602
"805664"	419.9624	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M"	0
"975067"	400.94401	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-H2O-H"	-19.01839
"76561"	278.967657333333	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M-3H"	-3.021828
"516851"	418.955124	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M-3H"	-3.021828
"891372"	138.980190666667	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-3H"	-3.021828
"8854"	418.955124	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M-2H"	-2.014552
"450601"	628.936324	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M-2H"	-2.014552
"827307"	208.973924	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-2H"	-2.014552
"92767"	838.917524	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M-H"	-1.007276
"531234"	1258.879924	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M-H"	-1.007276
"907942"	418.955124	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-H"	-1.007276
"50291"	855.944071	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M-2H+NH4"	16.019271
"496411"	1275.906471	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M-2H+NH4"	16.019271
"870935"	435.981671	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-2H+NH4"	16.019271
"45399"	860.899466	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M-2H+Na"	20.974666
"482773"	1280.861866	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M-2H+Na"	20.974666
"858387"	440.937066	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-2H+Na"	20.974666
"1627924"	440.937066	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Na-2H"	20.974666
"103359"	436.943463	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M-H+Cl"	33.962126
"544018"	646.924663	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M-H+Cl"	33.962126
"933156"	226.962263	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-H+Cl"	33.962126
"272806"	874.894202	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+Cl"	34.969402
"669601"	1294.856602	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+Cl"	34.969402
"1280912"	454.931802	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Cl"	34.969402
"17390"	876.873406	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M-2H+K"	36.948606
"464123"	1296.835806	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M-2H+K"	36.948606
"834269"	456.911006	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-2H+K"	36.948606
"1558849"	456.911006	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+K-2H"	36.948606
"947824"	464.960594	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-H+HCOOH"	44.998194
"369323"	884.923001	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+HCOOH-H"	44.998201
"360498"	898.938651	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+Hac-H"	59.013851
"1503134"	478.976251	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Hac-H"	59.013851
"973716"	486.942551	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-H+NaCOOH"	66.980151
"121769"	454.931802	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+2Cl"	69.938804
"563517"	664.913002	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+2Cl"	69.938804
"1029040"	244.950602	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2Cl"	69.938804
"1249712"	498.881285	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Br"	78.918885
"1317627"	500.937272	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Cl+HCOOH"	80.974872
"1333302"	522.919229	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Cl+NaCOOH"	102.956829
"922900"	532.947986	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M-H+CF3COOH"	112.985586
"1298890"	568.924664	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Cl+CF3COOH"	148.962264
"1378508"	384.949724	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H-2H2O"	-35.012676
"1396373"	402.9597	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H-H2O"	-17.0027
"291682"	840.932076	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+H"	1.007276
"685927"	1260.894476	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+H"	1.007276
"1354986"	420.969676	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H"	1.007276
"134802"	420.969676	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+2H"	2.014552
"569621"	630.950876	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+2H"	2.014552
"1044981"	210.988476	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2H"	2.014552
"210694"	280.982209333333	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+3H"	3.021828
"652444"	420.969676	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+3H"	3.021828
"1169475"	140.994742666667	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+3H"	3.021828
"430560"	857.958623	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+NH4"	18.033823
"789732"	1277.921023	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+NH4"	18.033823
"1686794"	437.996223	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+NH4"	18.033823
"336166"	429.4829495	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+H+NH4"	19.041099
"732962"	639.4641495	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+H+NH4"	19.041099
"1484595"	219.5017495	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H+NH4"	19.041099
"402183"	862.914018	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+Na"	22.989218
"762084"	1282.876418	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+Na"	22.989218
"1604718"	442.951618	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Na"	22.989218
"324596"	431.960647	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+H+Na"	23.996494
"712644"	641.941847	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+H+Na"	23.996494
"1463304"	221.979447	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H+Na"	23.996494
"1061898"	148.322056666667	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2H+Na"	25.00377
"1258475"	452.995886	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+CH3OH+H"	33.033486
"379962"	878.887958	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+K"	38.963158
"741689"	1298.850358	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+K"	38.963158
"1541553"	458.925558	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+K"	38.963158
"303104"	439.947617	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+H+K"	39.970434
"693339"	649.928817	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+H+K"	39.970434
"1447886"	229.966417	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H+K"	39.970434
"237219"	881.958626	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+ACN+H"	42.033826
"1212478"	461.996226	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+ACN+H"	42.033826
"1195144"	231.501751	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+ACN+2H"	43.041102
"189234"	884.89596	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+2Na-H"	44.97116
"629884"	1304.85836	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+2Na-H"	44.97116
"1133759"	464.93356	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2Na-H"	44.97116
"177047"	442.951618	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+2Na"	45.978436
"619531"	652.932818	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+2Na"	45.978436
"1123769"	232.970418	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2Na"	45.978436
"1406200"	155.649370666667	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H+2Na"	46.985712
"1433942"	466.975146	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H+HCOOH"	47.012746
"228012"	447.98464	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+3H2O+2H"	56.04448
"1516074"	481.02719	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+IsoProp+H"	61.06479
"414666"	450.938588	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+Na+K"	61.952376
"776756"	660.919788	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+Na+K"	61.952376
"1668710"	240.957388	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Na+K"	61.952376
"256692"	903.940568	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+ACN+Na"	64.015768
"1228672"	483.978168	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+ACN+Na"	64.015768
"1715735"	484.001693	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+NH4+HCOOH"	64.039293
"1179751"	162.976684666667	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+3Na"	68.967654
"1653533"	488.957088	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Na+HCOOH"	68.994688
"157475"	916.84384	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+2K-H"	76.91904
"599226"	1336.80624	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+2K-H"	76.91904
"1085925"	496.88144	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2K-H"	76.91904
"142742"	458.925558	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"2M+2K"	77.926316
"582666"	668.906758	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"3M+2K"	77.926316
"1069727"	248.944358	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2K"	77.926316
"1100752"	498.895992	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2K+H"	78.933592
"1335798"	498.983607	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+DMSO+H"	79.021207
"1006151"	503.022776	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2ACN+H"	83.060376
"1524882"	504.016408	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+IsoProp+Na+H"	84.054008
"994257"	252.015026	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+2ACN+2H"	84.067652
"1588150"	504.931028	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+K+HCOOH"	84.968628
"1423177"	534.962538	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+H+CF3COOH"	115.000138
"1155651"	272.528301	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+3ACN+2H"	125.094202
"1706295"	551.989085	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+NH4+CF3COOH"	132.026685
"1644133"	556.94448	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+Na+CF3COOH"	136.98208
"1585251"	572.91842	"C01243"	"1D-myo-Inositol 134-trisphosphate;D-myo-Inositol 134-trisphosphate;Inositol 134-trisphosphate"	"C6H15O15P3"	"419.9624"	"M+K+CF3COOH"	152.95602
"805774"	431.8355	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M"	0
"977119"	412.81711	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-H2O-H"	-19.01839
"70839"	286.883057333333	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M-3H"	-3.021828
"507119"	430.828224	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M-3H"	-3.021828
"884922"	142.937890666667	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-3H"	-3.021828
"1308"	430.828224	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M-2H"	-2.014552
"445241"	646.745974	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M-2H"	-2.014552
"824137"	214.910474	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-2H"	-2.014552
"84130"	862.663724	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M-H"	-1.007276
"524783"	1294.499224	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M-H"	-1.007276
"908052"	430.828224	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-H"	-1.007276
"52585"	879.690271	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M-2H+NH4"	16.019271
"493238"	1311.525771	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M-2H+NH4"	16.019271
"865573"	447.854771	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-2H+NH4"	16.019271
"37854"	884.645666	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M-2H+Na"	20.974666
"474132"	1316.481166	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M-2H+Na"	20.974666
"850840"	452.810166	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-2H+Na"	20.974666
"1622565"	452.810166	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Na-2H"	20.974666
"101283"	448.816563	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M-H+Cl"	33.962126
"541941"	664.734313	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M-H+Cl"	33.962126
"932173"	232.898813	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-H+Cl"	33.962126
"272915"	898.640402	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+Cl"	34.969402
"664243"	1330.475902	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+Cl"	34.969402
"1279928"	466.804902	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Cl"	34.969402
"17137"	900.619606	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M-2H+K"	36.948606
"460952"	1332.455106	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M-2H+K"	36.948606
"834743"	468.784106	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-2H+K"	36.948606
"1558958"	468.784106	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+K-2H"	36.948606
"945747"	476.833694	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-H+HCOOH"	44.998194
"365056"	908.669201	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+HCOOH-H"	44.998201
"359879"	922.684851	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+Hac-H"	59.013851
"1503244"	490.849351	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Hac-H"	59.013851
"972608"	498.815651	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-H+NaCOOH"	66.980151
"121879"	466.804902	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+2Cl"	69.938804
"562534"	682.722652	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+2Cl"	69.938804
"1029150"	250.887152	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2Cl"	69.938804
"1249821"	510.754385	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Br"	78.918885
"1317737"	512.810372	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Cl+HCOOH"	80.974872
"1325394"	534.792329	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Cl+NaCOOH"	102.956829
"923010"	544.821086	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M-H+CF3COOH"	112.985586
"1296439"	580.797764	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Cl+CF3COOH"	148.962264
"1371322"	396.822824	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H-2H2O"	-35.012676
"1396119"	414.8328	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H-H2O"	-17.0027
"290700"	864.678276	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+H"	1.007276
"683850"	1296.513776	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+H"	1.007276
"1355096"	432.842776	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H"	1.007276
"137100"	432.842776	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+2H"	2.014552
"573013"	648.760526	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+2H"	2.014552
"1047645"	216.925026	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2H"	2.014552
"209713"	288.897609333333	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+3H"	3.021828
"652554"	432.842776	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+3H"	3.021828
"1169585"	144.952442666667	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+3H"	3.021828
"436139"	881.704823	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+NH4"	18.033823
"790573"	1313.540323	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+NH4"	18.033823
"1686904"	449.869323	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+NH4"	18.033823
"336276"	441.3560495	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+H+NH4"	19.041099
"731979"	657.2737995	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+H+NH4"	19.041099
"1482519"	225.4382995	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H+NH4"	19.041099
"402293"	886.660218	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+Na"	22.989218
"761101"	1318.495718	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+Na"	22.989218
"1609201"	454.824718	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Na"	22.989218
"326893"	443.833747	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+H+Na"	23.996494
"717128"	659.751497	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+H+Na"	23.996494
"1465480"	227.915997	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H+Na"	23.996494
"1060915"	152.279756666667	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2H+Na"	25.00377
"1263689"	464.868986	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+CH3OH+H"	33.033486
"380075"	902.634158	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+K"	38.963158
"741435"	1334.469658	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+K"	38.963158
"1543122"	470.798658	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+K"	38.963158
"303581"	451.820717	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+H+K"	39.970434
"694906"	667.738467	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+H+K"	39.970434
"1447632"	235.902967	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H+K"	39.970434
"236350"	905.704826	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+ACN+H"	42.033826
"1210766"	473.869326	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+ACN+H"	42.033826
"1194771"	237.438301	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+ACN+2H"	43.041102
"189018"	908.64216	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+2Na-H"	44.97116
"629509"	1340.47766	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+2Na-H"	44.97116
"1133869"	476.80666	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2Na-H"	44.97116
"177157"	454.824718	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+2Na"	45.978436
"621466"	670.742468	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+2Na"	45.978436
"1120600"	238.906968	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2Na"	45.978436
"1406310"	159.607070666667	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H+2Na"	46.985712
"1436239"	478.848246	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H+HCOOH"	47.012746
"229215"	459.85774	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+3H2O+2H"	56.04448
"1516185"	492.90029	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+IsoProp+H"	61.06479
"411496"	462.811688	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+Na+K"	61.952376
"777959"	678.729438	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+Na+K"	61.952376
"1669550"	246.893938	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Na+K"	61.952376
"254612"	927.686768	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+ACN+Na"	64.015768
"1237896"	495.851268	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+ACN+Na"	64.015768
"1721315"	495.874793	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+NH4+HCOOH"	64.039293
"1183023"	166.934384666667	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+3Na"	68.967654
"1653279"	500.830188	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Na+HCOOH"	68.994688
"162326"	940.59004	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+2K-H"	76.91904
"600066"	1372.42554	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+2K-H"	76.91904
"1087858"	508.75454	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2K-H"	76.91904
"144674"	470.798658	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"2M+2K"	77.926316
"584236"	686.716408	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"3M+2K"	77.926316
"1069110"	254.880908	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2K"	77.926316
"1102685"	510.769092	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2K+H"	78.933592
"1336033"	510.856707	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+DMSO+H"	79.021207
"1005899"	514.895876	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2ACN+H"	83.060376
"1524184"	515.889508	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+IsoProp+Na+H"	84.054008
"994367"	257.951576	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+2ACN+2H"	84.067652
"1587776"	516.804128	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+K+HCOOH"	84.968628
"1420006"	546.835638	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+H+CF3COOH"	115.000138
"1157947"	278.464851	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+3ACN+2H"	125.094202
"1703126"	563.862185	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+NH4+CF3COOH"	132.026685
"1644243"	568.81758	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+Na+CF3COOH"	136.98208
"1585361"	584.79152	"C01244"	"35-Diiodo-4-hydroxyphenylpyruvate;3-(35-Diiodo-4-hydroxyphenyl)pyruvate"	"C9H6I2O4"	"431.8355"	"M+K+CF3COOH"	152.95602
"805884"	419.9624	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M"	0
"977228"	400.94401	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-H2O-H"	-19.01839
"74229"	278.967657333333	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M-3H"	-3.021828
"503219"	418.955124	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M-3H"	-3.021828
"885031"	138.980190666667	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-3H"	-3.021828
"154"	418.955124	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M-2H"	-2.014552
"444259"	628.936324	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M-2H"	-2.014552
"822060"	208.973924	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-2H"	-2.014552
"79135"	838.917524	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M-H"	-1.007276
"519786"	1258.879924	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M-H"	-1.007276
"899778"	418.955124	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-H"	-1.007276
"54881"	855.944071	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M-2H+NH4"	16.019271
"491889"	1275.906471	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M-2H+NH4"	16.019271
"867140"	435.981671	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-2H+NH4"	16.019271
"37965"	860.899466	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M-2H+Na"	20.974666
"473633"	1280.861866	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M-2H+Na"	20.974666
"849853"	440.937066	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-2H+Na"	20.974666
"1623768"	440.937066	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Na-2H"	20.974666
"102486"	436.943463	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M-H+Cl"	33.962126
"537678"	646.924663	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M-H+Cl"	33.962126
"931190"	226.962263	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-H+Cl"	33.962126
"269745"	874.894202	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+Cl"	34.969402
"666539"	1294.856602	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+Cl"	34.969402
"1280038"	454.931802	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Cl"	34.969402
"21498"	876.873406	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M-2H+K"	36.948606
"462155"	1296.835806	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M-2H+K"	36.948606
"836677"	456.911006	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-2H+K"	36.948606
"1559069"	456.911006	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+K-2H"	36.948606
"946951"	464.960594	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-H+HCOOH"	44.998194
"368448"	884.923001	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+HCOOH-H"	44.998201
"360358"	898.938651	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+Hac-H"	59.013851
"1506635"	478.976251	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Hac-H"	59.013851
"971991"	486.942551	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-H+NaCOOH"	66.980151
"125520"	454.931802	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+2Cl"	69.938804
"563739"	664.913002	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+2Cl"	69.938804
"1029262"	244.950602	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2Cl"	69.938804
"1249932"	498.881285	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Br"	78.918885
"1314568"	500.937272	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Cl+HCOOH"	80.974872
"1326597"	522.919229	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Cl+NaCOOH"	102.956829
"922027"	532.947986	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M-H+CF3COOH"	112.985586
"1302746"	568.924664	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Cl+CF3COOH"	148.962264
"1373620"	384.949724	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H-2H2O"	-35.012676
"1392218"	402.9597	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H-H2O"	-17.0027
"288622"	840.932076	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+H"	1.007276
"678856"	1260.894476	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+H"	1.007276
"1358123"	420.969676	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H"	1.007276
"132106"	420.969676	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+2H"	2.014552
"569844"	630.950876	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+2H"	2.014552
"1045204"	210.988476	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2H"	2.014552
"213104"	280.982209333333	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+3H"	3.021828
"650477"	420.969676	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+3H"	3.021828
"1165321"	140.994742666667	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+3H"	3.021828
"434063"	857.958623	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+NH4"	18.033823
"795058"	1277.921023	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+NH4"	18.033823
"1691391"	437.996223	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+NH4"	18.033823
"339667"	429.4829495	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+H+NH4"	19.041099
"730997"	639.4641495	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+H+NH4"	19.041099
"1485910"	219.5017495	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H+NH4"	19.041099
"402403"	862.914018	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+Na"	22.989218
"760118"	1282.876418	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+Na"	22.989218
"1609312"	442.951618	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Na"	22.989218
"326639"	431.960647	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+H+Na"	23.996494
"717239"	641.941847	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+H+Na"	23.996494
"1466683"	221.979447	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H+Na"	23.996494
"1061025"	148.322056666667	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2H+Na"	25.00377
"1261614"	452.995886	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+CH3OH+H"	33.033486
"380553"	878.887958	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+K"	38.963158
"740091"	1298.850358	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+K"	38.963158
"1541412"	458.925558	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+K"	38.963158
"300772"	439.947617	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+H+K"	39.970434
"692828"	649.928817	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+H+K"	39.970434
"1445832"	229.966417	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H+K"	39.970434
"235795"	881.958626	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+ACN+H"	42.033826
"1210046"	461.996226	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+ACN+H"	42.033826
"1194758"	231.501751	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+ACN+2H"	43.041102
"188843"	884.89596	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+2Na-H"	44.97116
"629055"	1304.85836	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+2Na-H"	44.97116
"1132517"	464.93356	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2Na-H"	44.97116
"175805"	442.951618	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+2Na"	45.978436
"620482"	652.932818	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+2Na"	45.978436
"1117064"	232.970418	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2Na"	45.978436
"1404234"	155.649370666667	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H+2Na"	46.985712
"1435256"	466.975146	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H+HCOOH"	47.012746
"229326"	447.98464	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+3H2O+2H"	56.04448
"1515201"	481.02719	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+IsoProp+H"	61.06479
"411971"	450.938588	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+Na+K"	61.952376
"775883"	660.919788	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+Na+K"	61.952376
"1673307"	240.957388	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Na+K"	61.952376
"255816"	903.940568	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+ACN+Na"	64.015768
"1236914"	483.978168	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+ACN+Na"	64.015768
"1720333"	484.001693	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+NH4+HCOOH"	64.039293
"1183499"	162.976684666667	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+3Na"	68.967654
"1653756"	488.957088	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Na+HCOOH"	68.994688
"158793"	916.84384	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+2K-H"	76.91904
"599812"	1336.80624	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+2K-H"	76.91904
"1089792"	496.88144	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2K-H"	76.91904
"143327"	458.925558	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"2M+2K"	77.926316
"586169"	668.906758	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"3M+2K"	77.926316
"1068856"	248.944358	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2K"	77.926316
"1101703"	498.895992	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2K+H"	78.933592
"1338088"	498.983607	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+DMSO+H"	79.021207
"1006980"	503.022776	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2ACN+H"	83.060376
"1524621"	504.016408	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+IsoProp+Na+H"	84.054008
"997761"	252.015026	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+2ACN+2H"	84.067652
"1590075"	504.931028	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+K+HCOOH"	84.968628
"1419022"	534.962538	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+H+CF3COOH"	115.000138
"1152590"	272.528301	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+3ACN+2H"	125.094202
"1705422"	551.989085	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+NH4+CF3COOH"	132.026685
"1641073"	556.94448	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+Na+CF3COOH"	136.98208
"1585471"	572.91842	"C01245"	"D-myo-Inositol 145-trisphosphate;1D-myo-Inositol 145-trisphosphate;Inositol 145-trisphosphate;Ins(145)P3"	"C6H15O15P3"	"419.9624"	"M+K+CF3COOH"	152.95602
"805996"	223.0481	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M"	0
"981719"	204.02971	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-H2O-H"	-19.01839
"71057"	147.691457333333	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M-3H"	-3.021828
"506244"	222.040824	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M-3H"	-3.021828
"889512"	73.3420906666667	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-3H"	-3.021828
"2620"	222.040824	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M-2H"	-2.014552
"444368"	333.564874	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M-2H"	-2.014552
"825451"	110.516774	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-2H"	-2.014552
"84347"	445.088924	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M-H"	-1.007276
"528280"	668.137024	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M-H"	-1.007276
"899523"	222.040824	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-H"	-1.007276
"60103"	462.115471	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M-2H+NH4"	16.019271
"493468"	685.163571	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M-2H+NH4"	16.019271
"867989"	239.067371	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-2H+NH4"	16.019271
"33703"	467.070866	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M-2H+Na"	20.974666
"483106"	690.118966	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M-2H+Na"	20.974666
"856539"	244.022766	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-2H+Na"	20.974666
"1624980"	244.022766	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Na-2H"	20.974666
"99320"	240.029163	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M-H+Cl"	33.962126
"536693"	351.553213	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M-H+Cl"	33.962126
"929112"	128.505113	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-H+Cl"	33.962126
"269854"	481.065602	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+Cl"	34.969402
"661182"	704.113702	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+Cl"	34.969402
"1274682"	258.017502	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Cl"	34.969402
"18332"	483.044806	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M-2H+K"	36.948606
"456552"	706.092906	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M-2H+K"	36.948606
"838973"	259.996706	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-2H+K"	36.948606
"1562461"	259.996706	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+K-2H"	36.948606
"958379"	268.046294	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-H+HCOOH"	44.998194
"375979"	491.094401	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+HCOOH-H"	44.998201
"357548"	505.110051	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+Hac-H"	59.013851
"1507113"	282.061951	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Hac-H"	59.013851
"971378"	290.028251	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-H+NaCOOH"	66.980151
"115543"	258.017502	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+2Cl"	69.938804
"554010"	369.541552	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+2Cl"	69.938804
"1028277"	146.493452	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2Cl"	69.938804
"1246760"	301.966985	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Br"	78.918885
"1309209"	304.022972	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Cl+HCOOH"	80.974872
"1326708"	326.004929	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Cl+NaCOOH"	102.956829
"926156"	336.033686	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M-H+CF3COOH"	112.985586
"1293389"	372.010364	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Cl+CF3COOH"	148.962264
"1374831"	188.035424	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H-2H2O"	-35.012676
"1387223"	206.0454	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H-H2O"	-17.0027
"289827"	447.103476	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+H"	1.007276
"680060"	670.151576	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+H"	1.007276
"1361881"	224.055376	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H"	1.007276
"132581"	224.055376	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+2H"	2.014552
"573235"	335.579426	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+2H"	2.014552
"1042034"	112.531326	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2H"	2.014552
"213215"	149.706009333333	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+3H"	3.021828
"653869"	224.055376	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+3H"	3.021828
"1170900"	75.3566426666667	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+3H"	3.021828
"431986"	464.130023	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+NH4"	18.033823
"794075"	687.178123	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+NH4"	18.033823
"1689315"	241.081923	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+NH4"	18.033823
"339414"	232.5686495	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+H+NH4"	19.041099
"728920"	344.0926995	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+H+NH4"	19.041099
"1483835"	121.0445995	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H+NH4"	19.041099
"397046"	469.085418	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+Na"	22.989218
"758042"	692.133518	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+Na"	22.989218
"1611611"	246.037318	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Na"	22.989218
"320554"	235.046347	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+H+Na"	23.996494
"714070"	346.570397	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+H+Na"	23.996494
"1464979"	123.522297	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H+Na"	23.996494
"1054942"	82.6839566666667	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2H+Na"	25.00377
"1261719"	256.081586	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+CH3OH+H"	33.033486
"379205"	485.059358	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+K"	38.963158
"740198"	708.107458	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+K"	38.963158
"1543344"	262.011258	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+K"	38.963158
"302339"	243.033317	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+H+K"	39.970434
"692938"	354.557367	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+H+K"	39.970434
"1446760"	131.509267	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H+K"	39.970434
"236209"	488.130026	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+ACN+H"	42.033826
"1211349"	265.081926	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+ACN+H"	42.033826
"1196692"	133.044601	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+ACN+2H"	43.041102
"191750"	491.06736	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+2Na-H"	44.97116
"630940"	714.11546	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+2Na-H"	44.97116
"1133123"	268.01926	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2Na-H"	44.97116
"175567"	246.037318	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+2Na"	45.978436
"613666"	357.561368	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+2Na"	45.978436
"1119727"	134.513268	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2Na"	45.978436
"1402157"	90.0112706666667	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H+2Na"	46.985712
"1432085"	270.060846	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H+HCOOH"	47.012746
"220523"	251.07034	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+3H2O+2H"	56.04448
"1509600"	284.11289	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+IsoProp+H"	61.06479
"411717"	254.024288	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+Na+K"	61.952376
"771618"	365.548338	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+Na+K"	61.952376
"1671234"	142.500238	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Na+K"	61.952376
"257752"	510.111968	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+ACN+Na"	64.015768
"1237752"	287.063868	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+ACN+Na"	64.015768
"1719348"	287.087393	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+NH4+HCOOH"	64.039293
"1183607"	97.3385846666667	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+3Na"	68.967654
"1653499"	292.042788	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Na+HCOOH"	68.994688
"162548"	523.01524	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+2K-H"	76.91904
"601012"	746.06334	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+2K-H"	76.91904
"1084304"	299.96714	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2K-H"	76.91904
"141430"	262.011258	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"2M+2K"	77.926316
"586277"	373.535308	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"3M+2K"	77.926316
"1069087"	150.487208	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2K"	77.926316
"1100961"	301.981692	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2K+H"	78.933592
"1345860"	302.069307	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+DMSO+H"	79.021207
"1019863"	306.108476	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2ACN+H"	83.060376
"1535801"	307.102108	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+IsoProp+Na+H"	84.054008
"995687"	153.557876	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+2ACN+2H"	84.067652
"1595657"	308.016728	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+K+HCOOH"	84.968628
"1419129"	338.048238	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+H+CF3COOH"	115.000138
"1151605"	174.071151	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+3ACN+2H"	125.094202
"1701156"	355.074785	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+NH4+CF3COOH"	132.026685
"1636810"	360.03018	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+Na+CF3COOH"	136.98208
"1575742"	376.00412	"C01249"	"78-Dihydro-78-dihydroxykynurenate"	"C10H9NO5"	"223.0481"	"M+K+CF3COOH"	152.95602
"806106"	173.0688	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M"	0
"981829"	154.05041	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-H2O-H"	-19.01839
"77363"	114.371924	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M-3H"	-3.021828
"514008"	172.061524	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M-3H"	-3.021828
"892902"	56.682324	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-3H"	-3.021828
"4919"	172.061524	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M-2H"	-2.014552
"448853"	258.595924	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M-2H"	-2.014552
"831637"	85.527124	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-2H"	-2.014552
"87738"	345.130324	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M-H"	-1.007276
"530577"	518.199124	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M-H"	-1.007276
"900728"	172.061524	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-H"	-1.007276
"60578"	362.156871	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M-2H+NH4"	16.019271
"494672"	535.225671	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M-2H+NH4"	16.019271
"870287"	189.088071	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-2H+NH4"	16.019271
"33448"	367.112266	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M-2H+Na"	20.974666
"479936"	540.181066	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M-2H+Na"	20.974666
"859930"	194.043466	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-2H+Na"	20.974666
"1626183"	194.043466	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Na-2H"	20.974666
"101617"	190.049863	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M-H+Cl"	33.962126
"538990"	276.584263	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M-H+Cl"	33.962126
"930315"	103.515463	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-H+Cl"	33.962126
"273243"	381.107002	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+Cl"	34.969402
"661778"	554.175802	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+Cl"	34.969402
"1273451"	208.038202	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Cl"	34.969402
"18442"	383.086206	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M-2H+K"	36.948606
"456420"	556.155006	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M-2H+K"	36.948606
"839083"	210.017406	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-2H+K"	36.948606
"1563664"	210.017406	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+K-2H"	36.948606
"957924"	218.066994	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-H+HCOOH"	44.998194
"375965"	391.135801	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+HCOOH-H"	44.998201
"360943"	405.151451	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+Hac-H"	59.013851
"1507225"	232.082651	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Hac-H"	59.013851
"972587"	240.048951	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-H+NaCOOH"	66.980151
"122214"	208.038202	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+2Cl"	69.938804
"563960"	294.572602	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+2Cl"	69.938804
"1033853"	121.503802	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2Cl"	69.938804
"1254524"	251.987685	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Br"	78.918885
"1312602"	254.043672	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Cl+HCOOH"	80.974872
"1326818"	276.025629	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Cl+NaCOOH"	102.956829
"915691"	286.054386	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M-H+CF3COOH"	112.985586
"1294593"	322.031064	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Cl+CF3COOH"	148.962264
"1374941"	138.056124	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H-2H2O"	-35.012676
"1389156"	156.0661	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H-H2O"	-17.0027
"291032"	347.144876	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+H"	1.007276
"684546"	520.213676	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+H"	1.007276
"1363447"	174.076076	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H"	1.007276
"132690"	174.076076	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+2H"	2.014552
"573344"	260.610476	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+2H"	2.014552
"1042144"	87.541676	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2H"	2.014552
"216241"	116.386476	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+3H"	3.021828
"656167"	174.076076	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+3H"	3.021828
"1169917"	58.696876	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+3H"	3.021828
"434283"	364.171423	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+NH4"	18.033823
"797831"	537.240223	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+NH4"	18.033823
"1689425"	191.102623	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+NH4"	18.033823
"342076"	182.5893495	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+H+NH4"	19.041099
"730124"	269.1237495	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+H+NH4"	19.041099
"1480664"	96.0549495	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H+NH4"	19.041099
"396790"	369.126818	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+Na"	22.989218
"761432"	542.195618	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+Na"	22.989218
"1608440"	196.058018	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Na"	22.989218
"322850"	185.067047	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+H+Na"	23.996494
"718554"	271.601447	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+H+Na"	23.996494
"1472381"	98.532647	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H+Na"	23.996494
"1059062"	66.02419	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2H+Na"	25.00377
"1261834"	206.102286	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+CH3OH+H"	33.033486
"381502"	385.100758	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+K"	38.963158
"747963"	558.169558	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+K"	38.963158
"1546736"	212.031958	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+K"	38.963158
"301724"	193.054017	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+H+K"	39.970434
"692319"	279.588417	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+H+K"	39.970434
"1448327"	106.519617	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H+K"	39.970434
"238752"	388.171426	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+ACN+H"	42.033826
"1212189"	215.102626	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+ACN+H"	42.033826
"1200813"	108.054951	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+ACN+2H"	43.041102
"191860"	391.10876	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+2Na-H"	44.97116
"630691"	564.17756	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+2Na-H"	44.97116
"1134571"	218.03996	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2Na-H"	44.97116
"175677"	196.058018	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+2Na"	45.978436
"619610"	282.592418	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+2Na"	45.978436
"1125304"	109.523618	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2Na"	45.978436
"1408827"	73.351504	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H+2Na"	46.985712
"1435475"	220.081546	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H+HCOOH"	47.012746
"226265"	201.09104	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+3H2O+2H"	56.04448
"1511048"	234.13359	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+IsoProp+H"	61.06479
"412920"	204.044988	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+Na+K"	61.952376
"775008"	290.579388	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+Na+K"	61.952376
"1673530"	117.510588	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Na+K"	61.952376
"258955"	410.153368	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+ACN+Na"	64.015768
"1233852"	237.084568	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+ACN+Na"	64.015768
"1719458"	237.108093	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+NH4+HCOOH"	64.039293
"1186998"	80.678818	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+3Na"	68.967654
"1657984"	242.063488	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Na+HCOOH"	68.994688
"160471"	423.05664	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+2K-H"	76.91904
"600029"	596.12544	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+2K-H"	76.91904
"1090009"	249.98784	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2K-H"	76.91904
"143549"	212.031958	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"2M+2K"	77.926316
"584201"	298.566358	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"3M+2K"	77.926316
"1069076"	125.497558	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2K"	77.926316
"1100829"	252.002392	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2K+H"	78.933592
"1341595"	252.090007	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+DMSO+H"	79.021207
"1017786"	256.129176	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2ACN+H"	83.060376
"1538099"	257.122808	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+IsoProp+Na+H"	84.054008
"995798"	128.568226	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+2ACN+2H"	84.067652
"1596860"	258.037428	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+K+HCOOH"	84.968628
"1419239"	288.068938	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+H+CF3COOH"	115.000138
"1151715"	149.081501	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+3ACN+2H"	125.094202
"1700173"	305.095485	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+NH4+CF3COOH"	132.026685
"1638014"	310.05088	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+Na+CF3COOH"	136.98208
"1576945"	326.02482	"C01250"	"N-Acetyl-L-glutamate 5-semialdehyde;2-Acetamido-5-oxopentanoate"	"C7H11NO4"	"173.0688"	"M+K+CF3COOH"	152.95602
"806216"	206.0427	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M"	0
"981939"	187.02431	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-H2O-H"	-19.01839
"69089"	136.354524	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M-3H"	-3.021828
"505371"	205.035424	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M-3H"	-3.021828
"888638"	67.673624	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-3H"	-3.021828
"2842"	205.035424	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M-2H"	-2.014552
"447870"	308.056774	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M-2H"	-2.014552
"824579"	102.014074	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-2H"	-2.014552
"92222"	411.078124	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M-H"	-1.007276
"531782"	617.120824	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M-H"	-1.007276
"899745"	205.035424	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-H"	-1.007276
"61780"	428.104671	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M-2H+NH4"	16.019271
"493688"	634.147371	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M-2H+NH4"	16.019271
"876958"	222.061971	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-2H+NH4"	16.019271
"36111"	433.060066	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M-2H+Na"	20.974666
"474578"	639.102766	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M-2H+Na"	20.974666
"857851"	227.017366	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-2H+Na"	20.974666
"1628476"	227.017366	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Na-2H"	20.974666
"99536"	223.023763	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M-H+Cl"	33.962126
"536179"	326.045113	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M-H+Cl"	33.962126
"929690"	120.002413	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-H+Cl"	33.962126
"269342"	447.054802	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+Cl"	34.969402
"660786"	653.097502	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+Cl"	34.969402
"1274293"	241.012102	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Cl"	34.969402
"17212"	449.034006	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M-2H+K"	36.948606
"457623"	655.076706	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M-2H+K"	36.948606
"837006"	242.991306	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-2H+K"	36.948606
"1564868"	242.991306	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+K-2H"	36.948606
"958113"	251.040894	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-H+HCOOH"	44.998194
"377031"	457.083601	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+HCOOH-H"	44.998201
"359356"	471.099251	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+Hac-H"	59.013851
"1506486"	265.056551	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Hac-H"	59.013851
"973425"	273.022851	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-H+NaCOOH"	66.980151
"121230"	241.012102	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+2Cl"	69.938804
"561883"	344.033452	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+2Cl"	69.938804
"1031776"	137.990752	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2Cl"	69.938804
"1255000"	284.961585	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Br"	78.918885
"1313801"	287.017572	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Cl+HCOOH"	80.974872
"1325835"	308.999529	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Cl+NaCOOH"	102.956829
"917987"	319.028286	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M-H+CF3COOH"	112.985586
"1302356"	355.004964	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Cl+CF3COOH"	148.962264
"1375049"	171.030024	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H-2H2O"	-35.012676
"1392545"	189.04	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H-H2O"	-17.0027
"294421"	413.092676	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+H"	1.007276
"685749"	619.135376	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+H"	1.007276
"1363921"	207.049976	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H"	1.007276
"132800"	207.049976	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+2H"	2.014552
"574547"	310.071326	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+2H"	2.014552
"1043347"	104.028626	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2H"	2.014552
"213435"	138.369076	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+3H"	3.021828
"652995"	207.049976	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+3H"	3.021828
"1171120"	69.688176	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+3H"	3.021828
"435486"	430.119223	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+NH4"	18.033823
"797941"	636.161923	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+NH4"	18.033823
"1693180"	224.076523	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+NH4"	18.033823
"338906"	215.5632495	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+H+NH4"	19.041099
"729140"	318.5845995	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+H+NH4"	19.041099
"1480774"	112.5418995	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H+NH4"	19.041099
"395443"	435.074618	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+Na"	22.989218
"758262"	641.117318	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+Na"	22.989218
"1611829"	229.031918	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Na"	22.989218
"322960"	218.040947	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+H+Na"	23.996494
"718664"	321.062297	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+H+Na"	23.996494
"1474673"	115.019597	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H+Na"	23.996494
"1059172"	77.01549	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2H+Na"	25.00377
"1264130"	239.076186	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+CH3OH+H"	33.033486
"382704"	451.048558	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+K"	38.963158
"744793"	657.091258	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+K"	38.963158
"1547939"	245.005858	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+K"	38.963158
"302928"	226.027917	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+H+K"	39.970434
"694618"	329.049267	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+H+K"	39.970434
"1450260"	123.006567	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H+K"	39.970434
"241049"	454.119226	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+ACN+H"	42.033826
"1214851"	248.076526	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+ACN+H"	42.033826
"1200923"	124.541901	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+ACN+2H"	43.041102
"193793"	457.05656	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+2Na-H"	44.97116
"631896"	663.09926	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+2Na-H"	44.97116
"1134681"	251.01386	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2Na-H"	44.97116
"180159"	229.031918	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+2Na"	45.978436
"621906"	332.053268	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+2Na"	45.978436
"1129061"	126.010568	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2Na"	45.978436
"1411126"	84.342804	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H+2Na"	46.985712
"1439959"	253.055446	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H+HCOOH"	47.012746
"228562"	234.06494	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+3H2O+2H"	56.04448
"1519904"	267.10749	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+IsoProp+H"	61.06479
"417404"	237.018888	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+Na+K"	61.952376
"775119"	340.040238	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+Na+K"	61.952376
"1675827"	133.997538	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Na+K"	61.952376
"261252"	476.101168	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+ACN+Na"	64.015768
"1232869"	270.058468	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+ACN+Na"	64.015768
"1721755"	270.081993	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+NH4+HCOOH"	64.039293
"1190388"	91.670118	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+3Na"	68.967654
"1660281"	275.037388	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Na+HCOOH"	68.994688
"166048"	489.00444	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+2K-H"	76.91904
"602326"	695.04714	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+2K-H"	76.91904
"1090121"	282.96174	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2K-H"	76.91904
"144023"	245.005858	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"2M+2K"	77.926316
"584311"	348.027208	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"3M+2K"	77.926316
"1071009"	141.984508	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2K"	77.926316
"1101546"	284.976292	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2K+H"	78.933592
"1340612"	285.063907	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+DMSO+H"	79.021207
"1017896"	289.103076	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2ACN+H"	83.060376
"1537114"	290.096708	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+IsoProp+Na+H"	84.054008
"995907"	145.055176	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+2ACN+2H"	84.067652
"1599157"	291.011328	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+K+HCOOH"	84.968628
"1420442"	321.042838	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+H+CF3COOH"	115.000138
"1152919"	165.568451	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+3ACN+2H"	125.094202
"1698462"	338.069385	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+NH4+CF3COOH"	132.026685
"1641404"	343.02478	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+Na+CF3COOH"	136.98208
"1577055"	358.99872	"C01251"	"(R)-2-Hydroxybutane-124-tricarboxylate;Homocitrate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;(R)-2-Hydroxy-124-butanetricarboxylic acid"	"C7H10O7"	"206.0427"	"M+K+CF3COOH"	152.95602
"806327"	207.0532	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M"	0
"987516"	188.03481	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-H2O-H"	-19.01839
"75759"	137.028190666667	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M-3H"	-3.021828
"508761"	206.045924	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M-3H"	-3.021828
"893489"	68.0104573333333	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-3H"	-3.021828
"8419"	206.045924	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M-2H"	-2.014552
"449073"	309.572524	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M-2H"	-2.014552
"832575"	102.519324	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-2H"	-2.014552
"89054"	413.099124	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M-H"	-1.007276
"526428"	620.152324	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M-H"	-1.007276
"904229"	206.045924	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-H"	-1.007276
"61526"	430.125671	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M-2H+NH4"	16.019271
"498173"	637.178871	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M-2H+NH4"	16.019271
"877435"	223.072471	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-2H+NH4"	16.019271
"40595"	435.081066	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M-2H+Na"	20.974666
"476874"	642.134266	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M-2H+Na"	20.974666
"861243"	228.027866	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-2H+Na"	20.974666
"1630774"	228.027866	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Na-2H"	20.974666
"104021"	224.034263	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M-H+Cl"	33.962126
"540300"	327.560863	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M-H+Cl"	33.962126
"928464"	120.507663	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-H+Cl"	33.962126
"269575"	449.075802	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+Cl"	34.969402
"665158"	656.129002	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+Cl"	34.969402
"1276468"	242.022602	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Cl"	34.969402
"19755"	451.055006	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M-2H+K"	36.948606
"458221"	658.108206	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M-2H+K"	36.948606
"839303"	244.001806	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-2H+K"	36.948606
"1564978"	244.001806	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+K-2H"	36.948606
"958103"	252.051394	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-H+HCOOH"	44.998194
"376978"	459.104601	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+HCOOH-H"	44.998201
"359102"	473.120251	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+Hac-H"	59.013851
"1506597"	266.067051	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Hac-H"	59.013851
"973172"	274.033351	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-H+NaCOOH"	66.980151
"120247"	242.022602	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+2Cl"	69.938804
"564180"	345.549202	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+2Cl"	69.938804
"1031886"	138.496002	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2Cl"	69.938804
"1254380"	285.972085	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Br"	78.918885
"1312818"	288.028072	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Cl+HCOOH"	80.974872
"1325945"	310.010029	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Cl+NaCOOH"	102.956829
"918097"	320.038786	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M-H+CF3COOH"	112.985586
"1302099"	356.015464	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Cl+CF3COOH"	148.962264
"1379170"	172.040524	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H-2H2O"	-35.012676
"1396303"	190.0505	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H-H2O"	-17.0027
"293439"	415.113676	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+H"	1.007276
"690601"	622.166876	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+H"	1.007276
"1364762"	208.060476	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H"	1.007276
"137650"	208.060476	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+2H"	2.014552
"575388"	311.587076	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+2H"	2.014552
"1045645"	104.533876	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2H"	2.014552
"213544"	139.042742666667	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+3H"	3.021828
"654928"	208.060476	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+3H"	3.021828
"1172323"	70.0250093333333	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+3H"	3.021828
"438514"	432.140223	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+NH4"	18.033823
"795499"	639.193423	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+NH4"	18.033823
"1693654"	225.087023	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+NH4"	18.033823
"341203"	216.5737495	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+H+NH4"	19.041099
"731437"	320.1003495	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+H+NH4"	19.041099
"1481248"	113.0471495	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H+NH4"	19.041099
"394822"	437.095618	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+Na"	22.989218
"757278"	644.148818	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+Na"	22.989218
"1608659"	230.042418	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Na"	22.989218
"321977"	219.051447	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+H+Na"	23.996494
"716586"	322.578047	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+H+Na"	23.996494
"1473688"	115.524847	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H+Na"	23.996494
"1062563"	77.3523233333333	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2H+Na"	25.00377
"1265333"	240.086686	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+CH3OH+H"	33.033486
"383907"	453.069558	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+K"	38.963158
"744173"	660.122758	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+K"	38.963158
"1546224"	246.016358	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+K"	38.963158
"304132"	227.038417	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+H+K"	39.970434
"696553"	330.565017	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+H+K"	39.970434
"1448183"	123.511817	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H+K"	39.970434
"236783"	456.140226	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+ACN+H"	42.033826
"1213137"	249.087026	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+ACN+H"	42.033826
"1196657"	125.047151	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+ACN+2H"	43.041102
"190984"	459.07756	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+2Na-H"	44.97116
"630915"	666.13076	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+2Na-H"	44.97116
"1134792"	252.02436	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2Na-H"	44.97116
"179178"	230.042418	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+2Na"	45.978436
"619832"	333.569018	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+2Na"	45.978436
"1123338"	126.515818	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2Na"	45.978436
"1409049"	84.6796373333333	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H+2Na"	46.985712
"1435698"	254.065946	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H+HCOOH"	47.012746
"226487"	235.07544	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+3H2O+2H"	56.04448
"1520016"	268.11799	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+IsoProp+H"	61.06479
"413141"	238.029388	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+Na+K"	61.952376
"780697"	341.555988	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+Na+K"	61.952376
"1678856"	134.502788	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Na+K"	61.952376
"263552"	478.122168	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+ACN+Na"	64.015768
"1234074"	271.068968	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+ACN+Na"	64.015768
"1725146"	271.092493	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+NH4+HCOOH"	64.039293
"1189405"	92.0069513333333	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+3Na"	68.967654
"1665293"	276.047888	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Na+HCOOH"	68.994688
"166158"	491.02544	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+2K-H"	76.91904
"604625"	698.07864	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+2K-H"	76.91904
"1089139"	283.97224	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2K-H"	76.91904
"145955"	246.016358	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"2M+2K"	77.926316
"587703"	349.542958	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"3M+2K"	77.926316
"1074400"	142.489758	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2K"	77.926316
"1102507"	285.986792	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2K+H"	78.933592
"1344001"	286.074407	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+DMSO+H"	79.021207
"1015820"	290.113576	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2ACN+H"	83.060376
"1537231"	291.107208	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+IsoProp+Na+H"	84.054008
"999295"	145.560426	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+2ACN+2H"	84.067652
"1595986"	292.021828	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+K+HCOOH"	84.968628
"1421647"	322.053338	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+H+CF3COOH"	115.000138
"1155214"	166.073701	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+3ACN+2H"	125.094202
"1699301"	339.079885	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+NH4+CF3COOH"	132.026685
"1641514"	344.03528	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+Na+CF3COOH"	136.98208
"1577165"	360.00922	"C01252"	"4-(2-Aminophenyl)-24-dioxobutanoate"	"C10H9NO4"	"207.0532"	"M+K+CF3COOH"	152.95602
"804250"	244.1787	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M"	0
"986535"	225.16031	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-H2O-H"	-19.01839
"70404"	161.778524	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M-3H"	-3.021828
"505955"	243.171424	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M-3H"	-3.021828
"884487"	80.385624	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-3H"	-3.021828
"11808"	243.171424	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M-2H"	-2.014552
"450276"	365.260774	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M-2H"	-2.014552
"826985"	121.082074	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-2H"	-2.014552
"82603"	487.350124	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M-H"	-1.007276
"523257"	731.528824	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M-H"	-1.007276
"901060"	243.171424	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-H"	-1.007276
"62005"	504.376671	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M-2H+NH4"	16.019271
"499378"	748.555371	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M-2H+NH4"	16.019271
"876815"	260.197971	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-2H+NH4"	16.019271
"42892"	509.332066	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M-2H+Na"	20.974666
"476987"	753.510766	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M-2H+Na"	20.974666
"858071"	265.153366	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-2H+Na"	20.974666
"1628697"	265.153366	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Na-2H"	20.974666
"101944"	261.159763	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M-H+Cl"	33.962126
"539316"	383.249113	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M-H+Cl"	33.962126
"933927"	139.070413	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-H+Cl"	33.962126
"276859"	523.326802	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+Cl"	34.969402
"665998"	767.505502	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+Cl"	34.969402
"1278405"	279.148102	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Cl"	34.969402
"26428"	525.306006	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M-2H+K"	36.948606
"464894"	769.484706	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M-2H+K"	36.948606
"843789"	281.127306	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-2H+K"	36.948606
"1570441"	281.127306	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+K-2H"	36.948606
"958490"	289.176894	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-H+HCOOH"	44.998194
"377070"	533.355601	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+HCOOH-H"	44.998201
"361393"	547.371251	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+Hac-H"	59.013851
"1507435"	303.192551	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Hac-H"	59.013851
"973689"	311.158851	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-H+NaCOOH"	66.980151
"117077"	279.148102	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+2Cl"	69.938804
"561013"	401.237452	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+2Cl"	69.938804
"1029810"	157.058752	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2Cl"	69.938804
"1248294"	323.097585	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Br"	78.918885
"1312934"	325.153572	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Cl+HCOOH"	80.974872
"1327148"	347.135529	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Cl+NaCOOH"	102.956829
"926974"	357.164286	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M-H+CF3COOH"	112.985586
"1303187"	393.140964	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Cl+CF3COOH"	148.962264
"1381468"	209.166024	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H-2H2O"	-35.012676
"1397142"	227.176	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H-H2O"	-17.0027
"294642"	489.364676	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+H"	1.007276
"690588"	733.543376	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+H"	1.007276
"1364507"	245.185976	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H"	1.007276
"138126"	245.185976	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+2H"	2.014552
"574770"	367.275326	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+2H"	2.014552
"1045755"	123.096626	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2H"	2.014552
"213657"	163.793076	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+3H"	3.021828
"651030"	245.185976	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+3H"	3.021828
"1170250"	82.400176	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+3H"	3.021828
"431335"	506.391223	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+NH4"	18.033823
"798528"	750.569923	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+NH4"	18.033823
"1689755"	262.212523	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+NH4"	18.033823
"336939"	253.6992495	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+H+NH4"	19.041099
"724500"	375.7885995	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+H+NH4"	19.041099
"1480994"	131.6098995	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H+NH4"	19.041099
"398582"	511.346618	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+Na"	22.989218
"758484"	755.525318	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+Na"	22.989218
"1606583"	267.167918	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Na"	22.989218
"320993"	256.176947	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+H+Na"	23.996494
"719856"	378.266297	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+H+Na"	23.996494
"1474771"	134.087597	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H+Na"	23.996494
"1059392"	89.72749	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2H+Na"	25.00377
"1263256"	277.212186	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+CH3OH+H"	33.033486
"384017"	527.320558	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+K"	38.963158
"742096"	771.499258	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+K"	38.963158
"1545972"	283.141858	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+K"	38.963158
"300958"	264.163917	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+H+K"	39.970434
"694474"	386.253267	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+H+K"	39.970434
"1448292"	142.074567	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H+K"	39.970434
"240178"	530.391226	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+ACN+H"	42.033826
"1212156"	286.212526	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+ACN+H"	42.033826
"1195679"	143.609901	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+ACN+2H"	43.041102
"189640"	533.32856	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+2Na-H"	44.97116
"631391"	777.50726	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+2Na-H"	44.97116
"1132837"	289.14986	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2Na-H"	44.97116
"176009"	267.167918	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+2Na"	45.978436
"616662"	389.257268	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+2Na"	45.978436
"1122355"	145.078568	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2Na"	45.978436
"1402964"	97.054804	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H+2Na"	46.985712
"1433257"	291.191446	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H+HCOOH"	47.012746
"223683"	272.20094	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+3H2O+2H"	56.04448
"1517941"	305.24349	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+IsoProp+H"	61.06479
"422001"	275.154888	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+Na+K"	61.952376
"781904"	397.244238	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+Na+K"	61.952376
"1678237"	153.065538	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Na+K"	61.952376
"264393"	552.373168	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+ACN+Na"	64.015768
"1234183"	308.194468	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+ACN+Na"	64.015768
"1719789"	308.217993	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+NH4+HCOOH"	64.039293
"1189515"	104.382118	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+3Na"	68.967654
"1659407"	313.173388	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Na+HCOOH"	68.994688
"167362"	565.27644	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+2K-H"	76.91904
"602549"	809.45514	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+2K-H"	76.91904
"1088155"	321.09774	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2K-H"	76.91904
"147159"	283.141858	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"2M+2K"	77.926316
"586717"	405.231208	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"3M+2K"	77.926316
"1071229"	161.052508	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2K"	77.926316
"1104444"	323.112292	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2K+H"	78.933592
"1340832"	323.199907	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+DMSO+H"	79.021207
"1018117"	327.239076	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2ACN+H"	83.060376
"1532962"	328.232708	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+IsoProp+Na+H"	84.054008
"996128"	164.123176	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+2ACN+2H"	84.067652
"1592818"	329.147328	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+K+HCOOH"	84.968628
"1419570"	359.178838	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+H+CF3COOH"	115.000138
"1153140"	184.636451	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+3ACN+2H"	125.094202
"1698316"	376.205385	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+NH4+CF3COOH"	132.026685
"1641624"	381.16078	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+Na+CF3COOH"	136.98208
"1577275"	397.13472	"C01255"	"N-(6-Aminohexanoyl)-6-aminohexanoate"	"C12H24N2O3"	"244.1787"	"M+K+CF3COOH"	152.95602
"806549"	205.1552	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M"	0
"985552"	186.13681	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-H2O-H"	-19.01839
"70516"	135.762857333333	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M-3H"	-3.021828
"507888"	204.147924	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M-3H"	-3.021828
"882411"	67.3777906666667	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-3H"	-3.021828
"5358"	204.147924	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M-2H"	-2.014552
"440054"	306.725524	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M-2H"	-2.014552
"829647"	101.570324	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-2H"	-2.014552
"85994"	409.303124	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M-H"	-1.007276
"529927"	614.458324	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M-H"	-1.007276
"897890"	204.147924	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-H"	-1.007276
"61018"	426.329671	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M-2H+NH4"	16.019271
"498395"	631.484871	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M-2H+NH4"	16.019271
"875832"	221.174471	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-2H+NH4"	16.019271
"43002"	431.285066	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M-2H+Na"	20.974666
"478187"	636.440266	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M-2H+Na"	20.974666
"858180"	226.129866	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-2H+Na"	20.974666
"1627715"	226.129866	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Na-2H"	20.974666
"103149"	222.136263	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M-H+Cl"	33.962126
"542707"	324.713863	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M-H+Cl"	33.962126
"935130"	119.558663	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-H+Cl"	33.962126
"276969"	445.279802	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+Cl"	34.969402
"669389"	650.435002	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+Cl"	34.969402
"1279608"	240.124602	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Cl"	34.969402
"27631"	447.259006	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M-2H+K"	36.948606
"466826"	652.414206	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M-2H+K"	36.948606
"844628"	242.103806	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-2H+K"	36.948606
"1569823"	242.103806	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+K-2H"	36.948606
"958375"	250.153394	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-H+HCOOH"	44.998194
"376538"	455.308601	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+HCOOH-H"	44.998201
"361030"	469.324251	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+Hac-H"	59.013851
"1508156"	264.169051	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Hac-H"	59.013851
"973875"	272.135351	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-H+NaCOOH"	66.980151
"123023"	240.124602	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+2Cl"	69.938804
"562216"	342.702202	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+2Cl"	69.938804
"1031013"	137.547002	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2Cl"	69.938804
"1251683"	284.074085	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Br"	78.918885
"1313044"	286.130072	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Cl+HCOOH"	80.974872
"1327258"	308.112029	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Cl+NaCOOH"	102.956829
"919410"	318.140786	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M-H+CF3COOH"	112.985586
"1302684"	354.117464	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Cl+CF3COOH"	148.962264
"1379021"	170.142524	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H-2H2O"	-35.012676
"1391780"	188.1525	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H-H2O"	-17.0027
"291469"	411.317676	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+H"	1.007276
"687901"	616.472876	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+H"	1.007276
"1366561"	206.162476	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H"	1.007276
"139330"	206.162476	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+2H"	2.014552
"577068"	308.740076	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+2H"	2.014552
"1049147"	103.584876	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2H"	2.014552
"213768"	137.777409333333	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+3H"	3.021828
"654422"	206.162476	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+3H"	3.021828
"1174736"	69.3923426666667	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+3H"	3.021828
"434727"	428.344223	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+NH4"	18.033823
"799001"	633.499423	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+NH4"	18.033823
"1692052"	223.189023	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+NH4"	18.033823
"333769"	214.6757495	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+H+NH4"	19.041099
"724004"	317.2533495	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+H+NH4"	19.041099
"1481104"	112.0981495	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H+NH4"	19.041099
"404160"	433.299618	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+Na"	22.989218
"766248"	638.454818	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+Na"	22.989218
"1614348"	228.144418	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Na"	22.989218
"321103"	217.153447	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+H+Na"	23.996494
"716811"	319.731047	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+H+Na"	23.996494
"1476341"	114.575847	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H+Na"	23.996494
"1055128"	76.7196566666667	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2H+Na"	25.00377
"1261178"	238.188686	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+CH3OH+H"	33.033486
"382305"	449.273558	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+K"	38.963158
"742207"	654.428758	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+K"	38.963158
"1543165"	244.118358	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+K"	38.963158
"300704"	225.140417	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+H+K"	39.970434
"693123"	327.718017	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+H+K"	39.970434
"1446944"	122.562817	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H+K"	39.970434
"239559"	452.344226	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+ACN+H"	42.033826
"1211532"	247.189026	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+ACN+H"	42.033826
"1196517"	124.098151	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+ACN+2H"	43.041102
"188889"	455.28156	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+2Na-H"	44.97116
"628981"	660.43676	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+2Na-H"	44.97116
"1131772"	250.12636	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2Na-H"	44.97116
"179398"	228.144418	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+2Na"	45.978436
"616044"	330.722018	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+2Na"	45.978436
"1123924"	125.566818	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2Na"	45.978436
"1405260"	84.0469706666667	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H+2Na"	46.985712
"1433731"	252.167946	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H+HCOOH"	47.012746
"226708"	233.17744	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+3H2O+2H"	56.04448
"1519144"	266.21999	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+IsoProp+H"	61.06479
"421747"	236.131388	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+Na+K"	61.952376
"782014"	338.708988	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+Na+K"	61.952376
"1676160"	133.553788	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Na+K"	61.952376
"263044"	474.326168	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+ACN+Na"	64.015768
"1235387"	269.170968	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+ACN+Na"	64.015768
"1722086"	269.194493	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+NH4+HCOOH"	64.039293
"1186345"	91.3742846666667	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+3Na"	68.967654
"1660612"	274.149888	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Na+HCOOH"	68.994688
"162371"	487.22944	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+2K-H"	76.91904
"600107"	692.38464	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+2K-H"	76.91904
"1087171"	282.07424	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2K-H"	76.91904
"144717"	244.118358	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"2M+2K"	77.926316
"584642"	346.695958	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"3M+2K"	77.926316
"1070611"	141.540758	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2K"	77.926316
"1104554"	284.088792	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2K+H"	78.933592
"1348599"	284.176407	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+DMSO+H"	79.021207
"1019321"	288.215576	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2ACN+H"	83.060376
"1536353"	289.209208	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+IsoProp+Na+H"	84.054008
"997329"	144.611426	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+2ACN+2H"	84.067652
"1595114"	290.123828	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+K+HCOOH"	84.968628
"1418587"	320.155338	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+H+CF3COOH"	115.000138
"1151062"	165.124701	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+3ACN+2H"	125.094202
"1706084"	337.181885	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+NH4+CF3COOH"	132.026685
"1641733"	342.13728	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+Na+CF3COOH"	136.98208
"1586135"	358.11122	"C01259"	"3-Hydroxy-N6N6N6-trimethyl-L-lysine"	"C9H21N2O3"	"205.1552"	"M+K+CF3COOH"	152.95602
"813221"	836.0483	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M"	0
"986755"	817.02991	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-H2O-H"	-19.01839
"68439"	556.358257333333	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M-3H"	-3.021828
"506176"	835.041024	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M-3H"	-3.021828
"884706"	277.675490666667	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-3H"	-3.021828
"526"	835.041024	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M-2H"	-2.014552
"440287"	1253.065174	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M-2H"	-2.014552
"820644"	417.016874	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-2H"	-2.014552
"89384"	1671.089324	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M-H"	-1.007276
"530037"	2507.137624	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M-H"	-1.007276
"899093"	835.041024	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-H"	-1.007276
"59668"	1688.115871	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M-2H+NH4"	16.019271
"497412"	2524.164171	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M-2H+NH4"	16.019271
"875213"	852.067571	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-2H+NH4"	16.019271
"43112"	1693.071266	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M-2H+Na"	20.974666
"475018"	2529.119566	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M-2H+Na"	20.974666
"861574"	857.022966	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-2H+Na"	20.974666
"1626731"	857.022966	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Na-2H"	20.974666
"103259"	853.029363	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M-H+Cl"	33.962126
"539538"	1271.053513	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M-H+Cl"	33.962126
"935239"	435.005213	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-H+Cl"	33.962126
"277809"	1707.066002	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+Cl"	34.969402
"670592"	2543.114302	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+Cl"	34.969402
"1282997"	871.017702	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Cl"	34.969402
"24459"	1709.045206	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M-2H+K"	36.948606
"466936"	2545.093506	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M-2H+K"	36.948606
"846560"	872.996906	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-2H+K"	36.948606
"1568962"	872.996906	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+K-2H"	36.948606
"957823"	881.046494	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-H+HCOOH"	44.998194
"373967"	1717.094801	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+HCOOH-H"	44.998201
"360533"	1731.110451	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+Hac-H"	59.013851
"1508143"	895.062151	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Hac-H"	59.013851
"973379"	903.028451	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-H+NaCOOH"	66.980151
"122769"	871.017702	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+2Cl"	69.938804
"561598"	1289.041852	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+2Cl"	69.938804
"1031125"	452.993552	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2Cl"	69.938804
"1248150"	914.967185	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Br"	78.918885
"1314247"	917.023172	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Cl+HCOOH"	80.974872
"1327368"	939.005129	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Cl+NaCOOH"	102.956829
"916240"	949.033886	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M-H+CF3COOH"	112.985586
"1302795"	985.010564	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Cl+CF3COOH"	148.962264
"1376579"	801.035624	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+H-2H2O"	-35.012676
"1392617"	819.0456	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+H-H2O"	-17.0027
"286106"	1673.103876	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+H"	1.007276
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"139805"	837.055576	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+2H"	2.014552
"580090"	1255.079726	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+2H"	2.014552
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"657448"	837.055576	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+3H"	3.021828
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"339346"	845.5688495	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+H+NH4"	19.041099
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"1197357"	439.544701	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+ACN+2H"	43.041102
"190222"	1717.06776	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+2Na-H"	44.97116
"630872"	2553.11606	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+2Na-H"	44.97116
"1134029"	881.01946	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2Na-H"	44.97116
"180603"	859.037518	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+2Na"	45.978436
"620165"	1277.061668	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+2Na"	45.978436
"1123670"	441.013368	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2Na"	45.978436
"1403184"	294.344670666667	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+H+2Na"	46.985712
"1436029"	883.061046	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+H+HCOOH"	47.012746
"226819"	864.07054	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+3H2O+2H"	56.04448
"1513788"	897.11309	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+IsoProp+H"	61.06479
"418943"	867.024488	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+Na+K"	61.952376
"784312"	1285.048638	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+Na+K"	61.952376
"1677728"	449.000338	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Na+K"	61.952376
"263883"	1736.112368	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+ACN+Na"	64.015768
"1237686"	900.064068	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+ACN+Na"	64.015768
"1722196"	900.087593	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+NH4+HCOOH"	64.039293
"1186455"	301.671984666667	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+3Na"	68.967654
"1660722"	905.042988	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Na+HCOOH"	68.994688
"162118"	1749.01564	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+2K-H"	76.91904
"599855"	2585.06394	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+2K-H"	76.91904
"1088740"	912.96734	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2K-H"	76.91904
"146650"	875.011458	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"2M+2K"	77.926316
"585847"	1293.035608	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"3M+2K"	77.926316
"1071450"	456.987308	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2K"	77.926316
"1104664"	914.981892	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2K+H"	78.933592
"1338136"	915.069507	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+DMSO+H"	79.021207
"1017246"	919.108676	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2ACN+H"	83.060376
"1536463"	920.102308	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+IsoProp+Na+H"	84.054008
"994159"	460.057976	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+2ACN+2H"	84.067652
"1591944"	921.016928	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+K+HCOOH"	84.968628
"1417604"	951.048438	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+H+CF3COOH"	115.000138
"1152267"	480.571251	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+3ACN+2H"	125.094202
"1706194"	968.074985	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+NH4+CF3COOH"	132.026685
"1639656"	973.03038	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+Na+CF3COOH"	136.98208
"1586245"	989.00432	"C01260"	"P1P4-Bis(5-adenosyl)tetraphosphate;AppppA"	"C20H28N10O19P4"	"836.0483"	"M+K+CF3COOH"	152.95602
"806768"	868.0381	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M"	0
"986501"	849.01971	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-H2O-H"	-19.01839
"68548"	577.684790666667	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M-3H"	-3.021828
"506286"	867.030824	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M-3H"	-3.021828
"884816"	288.338757333333	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-3H"	-3.021828
"1201"	867.030824	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M-2H"	-2.014552
"440763"	1301.049874	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M-2H"	-2.014552
"820754"	433.011774	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-2H"	-2.014552
"80018"	1735.068924	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M-H"	-1.007276
"526867"	2603.107024	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M-H"	-1.007276
"898108"	867.030824	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-H"	-1.007276
"56862"	1752.095471	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M-2H+NH4"	16.019271
"499343"	2620.133571	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M-2H+NH4"	16.019271
"874229"	884.057371	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-2H+NH4"	16.019271
"36661"	1757.050866	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M-2H+Na"	20.974666
"472211"	2625.088966	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M-2H+Na"	20.974666
"859493"	889.012766	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-2H+Na"	20.974666
"1627934"	889.012766	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Na-2H"	20.974666
"104462"	885.019163	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M-H+Cl"	33.962126
"539648"	1319.038213	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M-H+Cl"	33.962126
"935349"	451.000113	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-H+Cl"	33.962126
"277553"	1771.045602	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+Cl"	34.969402
"671795"	2639.083702	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+Cl"	34.969402
"1278732"	903.007502	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Cl"	34.969402
"24569"	1773.024806	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M-2H+K"	36.948606
"468139"	2641.062906	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M-2H+K"	36.948606
"846306"	904.986706	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-2H+K"	36.948606
"1570163"	904.986706	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+K-2H"	36.948606
"958177"	913.036294	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-H+HCOOH"	44.998194
"375536"	1781.074401	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+HCOOH-H"	44.998201
"360155"	1795.090051	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+Hac-H"	59.013851
"1506918"	927.051951	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Hac-H"	59.013851
"973490"	935.018251	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-H+NaCOOH"	66.980151
"122151"	903.007502	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+2Cl"	69.938804
"562072"	1337.026552	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+2Cl"	69.938804
"1031964"	468.988452	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2Cl"	69.938804
"1248988"	946.956985	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Br"	78.918885
"1313264"	949.012972	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Cl+HCOOH"	80.974872
"1330394"	970.994929	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Cl+NaCOOH"	102.956829
"917443"	981.023686	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M-H+CF3COOH"	112.985586
"1301445"	1017.000364	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Cl+CF3COOH"	148.962264
"1376689"	833.025424	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H-2H2O"	-35.012676
"1389811"	851.0354	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H-H2O"	-17.0027
"285487"	1737.083476	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+H"	1.007276
"684110"	2605.121576	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+H"	1.007276
"1357906"	869.045376	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H"	1.007276
"139912"	869.045376	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+2H"	2.014552
"580200"	1303.064426	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+2H"	2.014552
"1047176"	435.026326	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2H"	2.014552
"217269"	579.699342666667	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+3H"	3.021828
"653548"	869.045376	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+3H"	3.021828
"1176047"	290.353309333333	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+3H"	3.021828
"437133"	1754.110023	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+NH4"	18.033823
"799950"	2622.148123	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+NH4"	18.033823
"1695552"	886.071923	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+NH4"	18.033823
"337269"	877.5586495	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+H+NH4"	19.041099
"725318"	1311.5776995	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+H+NH4"	19.041099
"1482417"	443.5395995	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H+NH4"	19.041099
"402192"	1759.065418	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+Na"	22.989218
"763187"	2627.103518	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+Na"	22.989218
"1617484"	891.027318	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Na"	22.989218
"322416"	880.036347	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+H+Na"	23.996494
"719219"	1314.055397	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+H+Na"	23.996494
"1473037"	446.017297	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H+Na"	23.996494
"1057538"	297.680623333333	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2H+Na"	25.00377
"1265776"	901.071586	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+CH3OH+H"	33.033486
"384350"	1775.039358	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+K"	38.963158
"749718"	2643.077458	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+K"	38.963158
"1543023"	907.001258	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+K"	38.963158
"301657"	888.023317	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+H+K"	39.970434
"698086"	1322.042367	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+H+K"	39.970434
"1447898"	454.004267	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H+K"	39.970434
"240509"	1778.110026	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+ACN+H"	42.033826
"1212853"	910.071926	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+ACN+H"	42.033826
"1196371"	455.539601	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+ACN+2H"	43.041102
"189600"	1781.04736	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+2Na-H"	44.97116
"629648"	2649.08546	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+2Na-H"	44.97116
"1135232"	913.00926	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2Na-H"	44.97116
"181805"	891.027318	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+2Na"	45.978436
"621366"	1325.046368	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+2Na"	45.978436
"1124143"	457.008268	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2Na"	45.978436
"1404386"	305.007937333333	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H+2Na"	46.985712
"1441970"	915.050846	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H+HCOOH"	47.012746
"227293"	896.06034	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+3H2O+2H"	56.04448
"1520095"	929.10289	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+IsoProp+H"	61.06479
"413585"	899.014288	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+Na+K"	61.952376
"782234"	1333.033338	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+Na+K"	61.952376
"1677837"	464.995238	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Na+K"	61.952376
"263993"	1800.091968	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+ACN+Na"	64.015768
"1235245"	932.053868	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+ACN+Na"	64.015768
"1722672"	932.077393	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+NH4+HCOOH"	64.039293
"1188388"	312.335251333333	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+3Na"	68.967654
"1658646"	937.032788	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Na+HCOOH"	68.994688
"163321"	1812.99524	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+2K-H"	76.91904
"599963"	2681.03334	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+2K-H"	76.91904
"1088122"	944.95714	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2K-H"	76.91904
"145667"	907.001258	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"2M+2K"	77.926316
"587050"	1341.020308	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"3M+2K"	77.926316
"1073749"	472.982208	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2K"	77.926316
"1104774"	946.971692	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2K+H"	78.933592
"1337878"	947.059307	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+DMSO+H"	79.021207
"1018449"	951.098476	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2ACN+H"	83.060376
"1536212"	952.092108	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+IsoProp+Na+H"	84.054008
"993176"	476.052876	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+2ACN+2H"	84.067652
"1594241"	953.006728	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+K+HCOOH"	84.968628
"1420996"	983.038238	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+H+CF3COOH"	115.000138
"1153471"	496.566151	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+3ACN+2H"	125.094202
"1706304"	1000.064785	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+NH4+CF3COOH"	132.026685
"1638673"	1005.02018	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+Na+CF3COOH"	136.98208
"1586355"	1020.99412	"C01261"	"P1P4-Bis(5-guanosyl) tetraphosphate;GppppG;Bis(5-guanosyl) tetraphosphate"	"C20H28N10O21P4"	"868.0381"	"M+K+CF3COOH"	152.95602
"806878"	240.1222	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M"	0
"986611"	221.10381	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-H2O-H"	-19.01839
"65378"	159.074190666667	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M-3H"	-3.021828
"506032"	239.114924	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M-3H"	-3.021828
"888206"	79.0334573333333	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-3H"	-3.021828
"3501"	239.114924	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M-2H"	-2.014552
"440384"	359.176024	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M-2H"	-2.014552
"820864"	119.053824	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-2H"	-2.014552
"79765"	479.237124	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M-H"	-1.007276
"523697"	719.359324	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M-H"	-1.007276
"898946"	239.114924	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-H"	-1.007276
"48709"	496.263671	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M-2H+NH4"	16.019271
"496537"	736.385871	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M-2H+NH4"	16.019271
"869963"	256.141471	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-2H+NH4"	16.019271
"33002"	501.219066	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M-2H+Na"	20.974666
"473293"	741.341266	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M-2H+Na"	20.974666
"860699"	261.096866	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-2H+Na"	20.974666
"1625859"	261.096866	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Na-2H"	20.974666
"103479"	257.103263	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M-H+Cl"	33.962126
"539757"	377.164363	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M-H+Cl"	33.962126
"933271"	137.042163	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-H+Cl"	33.962126
"277297"	515.213802	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+Cl"	34.969402
"673731"	755.336002	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+Cl"	34.969402
"1278842"	275.091602	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Cl"	34.969402
"23586"	517.193006	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M-2H+K"	36.948606
"468249"	757.315206	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M-2H+K"	36.948606
"846415"	277.070806	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-2H+K"	36.948606
"1571239"	277.070806	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+K-2H"	36.948606
"958126"	285.120394	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-H+HCOOH"	44.998194
"375645"	525.242601	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+HCOOH-H"	44.998201
"360994"	539.258251	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+Hac-H"	59.013851
"1506541"	299.136051	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Hac-H"	59.013851
"973721"	307.102351	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-H+NaCOOH"	66.980151
"122260"	275.091602	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+2Cl"	69.938804
"561818"	395.152702	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+2Cl"	69.938804
"1030251"	155.030502	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2Cl"	69.938804
"1248734"	319.041085	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Br"	78.918885
"1311185"	321.097072	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Cl+HCOOH"	80.974872
"1325400"	343.079029	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Cl+NaCOOH"	102.956829
"916460"	353.107786	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M-H+CF3COOH"	112.985586
"1301191"	389.084464	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Cl+CF3COOH"	148.962264
"1374613"	205.109524	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H-2H2O"	-35.012676
"1392108"	223.1195	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H-H2O"	-17.0027
"287420"	481.251676	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+H"	1.007276
"682034"	721.373876	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+H"	1.007276
"1354008"	241.129476	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H"	1.007276
"137836"	241.129476	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+2H"	2.014552
"579217"	361.190576	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+2H"	2.014552
"1046193"	121.068376	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2H"	2.014552
"217379"	161.088742666667	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+3H"	3.021828
"652565"	241.129476	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+3H"	3.021828
"1173971"	81.0480093333333	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+3H"	3.021828
"436150"	498.278223	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+NH4"	18.033823
"799331"	738.400423	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+NH4"	18.033823
"1696028"	258.156023	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+NH4"	18.033823
"340659"	249.6427495	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+H+NH4"	19.041099
"727615"	369.7038495	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+H+NH4"	19.041099
"1485807"	129.5816495	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H+NH4"	19.041099
"399021"	503.233618	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+Na"	22.989218
"766577"	743.355818	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+Na"	22.989218
"1605928"	263.111418	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Na"	22.989218
"317423"	252.120447	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+H+Na"	23.996494
"717137"	372.181547	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+H+Na"	23.996494
"1475333"	132.059347	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H+Na"	23.996494
"1062022"	88.3753233333333	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2H+Na"	25.00377
"1268071"	273.155686	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+CH3OH+H"	33.033486
"382273"	519.207558	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+K"	38.963158
"746548"	759.329758	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+K"	38.963158
"1547507"	279.085358	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+K"	38.963158
"301403"	260.107417	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+H+K"	39.970434
"693456"	380.168517	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+H+K"	39.970434
"1447644"	140.046317	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H+K"	39.970434
"236973"	522.278226	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+ACN+H"	42.033826
"1211139"	282.156026	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+ACN+H"	42.033826
"1195025"	141.581651	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+ACN+2H"	43.041102
"189710"	525.21556	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+2Na-H"	44.97116
"628823"	765.33776	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+2Na-H"	44.97116
"1132303"	285.09336	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2Na-H"	44.97116
"180092"	263.111418	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+2Na"	45.978436
"621840"	383.172518	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+2Na"	45.978436
"1124617"	143.050318	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2Na"	45.978436
"1400120"	95.7026373333333	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H+2Na"	46.985712
"1433696"	287.134946	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H+HCOOH"	47.012746
"224123"	268.14444	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+3H2O+2H"	56.04448
"1518381"	301.18699	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+IsoProp+H"	61.06479
"413695"	271.098388	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+Na+K"	61.952376
"782708"	391.159488	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+Na+K"	61.952376
"1677217"	151.037288	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Na+K"	61.952376
"259727"	544.260168	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+ACN+Na"	64.015768
"1235354"	304.137968	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+ACN+Na"	64.015768
"1722052"	304.161493	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+NH4+HCOOH"	64.039293
"1187406"	103.029951333333	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+3Na"	68.967654
"1658756"	309.116888	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Na+HCOOH"	68.994688
"162702"	557.16344	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+2K-H"	76.91904
"599344"	797.28564	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+2K-H"	76.91904
"1088596"	317.04124	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2K-H"	76.91904
"145777"	279.085358	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"2M+2K"	77.926316
"587158"	399.146458	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"3M+2K"	77.926316
"1072036"	159.024258	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2K"	77.926316
"1104884"	319.055792	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2K+H"	78.933592
"1337988"	319.143407	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+DMSO+H"	79.021207
"1017467"	323.182576	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2ACN+H"	83.060376
"1537052"	324.176208	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+IsoProp+Na+H"	84.054008
"993286"	162.094926	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+2ACN+2H"	84.067652
"1596538"	325.090828	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+K+HCOOH"	84.968628
"1422200"	355.122338	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+H+CF3COOH"	115.000138
"1154675"	182.608201	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+3ACN+2H"	125.094202
"1706414"	372.148885	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+NH4+CF3COOH"	132.026685
"1638783"	377.10428	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+Na+CF3COOH"	136.98208
"1586465"	393.07822	"C01262"	"beta-Alanyl-N(pi)-methyl-L-histidine;Anserine"	"C10H16N4O3"	"240.1222"	"M+K+CF3COOH"	152.95602
"806988"	272.0685	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M"	0
"985628"	253.05011	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"66583"	180.371724	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"505413"	271.061224	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"881028"	89.682224	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"9079"	271.061224	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"440257"	407.095474	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"820974"	135.026974	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"79875"	543.129724	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"523807"	815.198224	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"897962"	271.061224	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"47847"	560.156271	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"495554"	832.224771	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"866793"	288.087771	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"34693"	565.111666	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"478629"	837.180166	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"862995"	293.043166	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1628156"	293.043166	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"102496"	289.049563	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"542054"	425.083813	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"933381"	153.015313	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"276314"	579.106402	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"670926"	851.174902	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1278952"	307.037902	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"19321"	581.085606	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"463255"	853.154106	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"843244"	309.017106	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1564545"	309.017106	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"956804"	317.066694	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"373562"	589.135201	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"359273"	603.150851	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1506646"	331.082351	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"974131"	339.048651	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"120909"	307.037902	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"562659"	443.072152	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1032183"	171.003652	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1247751"	350.987385	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1312388"	353.043372	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1325510"	375.025329	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"914019"	385.054086	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1300937"	421.030764	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1374723"	237.055824	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1392584"	255.0658	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"288624"	545.144276	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"682873"	817.212776	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1355211"	273.075776	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"136486"	273.075776	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"576412"	409.110026	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1045210"	137.041526	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"207644"	182.386276	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"654863"	273.075776	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1169707"	91.696776	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"432978"	562.170823	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"785830"	834.239323	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1694679"	290.102323	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"337489"	281.5890495	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"724442"	417.6232995	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1477533"	145.5547995	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"395851"	567.126218	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"755388"	839.194718	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1602834"	295.057718	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"314817"	284.066747	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"715061"	420.100997	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1475443"	148.032497	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1065411"	99.02409	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1265995"	305.101986	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"383477"	583.100158	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"743378"	855.168658	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1544337"	311.031658	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"309168"	292.053717	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"692475"	428.087967	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1449941"	156.019467	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"238174"	586.170826	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1212345"	314.102326	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1195863"	157.554801	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"189213"	589.10816	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"628769"	861.17666	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1136547"	317.03966	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"175342"	295.057718	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"612970"	431.091968	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1124727"	159.023468	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1404971"	106.351404	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1437087"	319.081246	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"232618"	300.09074	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1513025"	333.13329	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"419272"	303.044688	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"775892"	439.078938	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1674411"	167.010438	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"259837"	608.152768	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1231454"	336.084268	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1713289"	336.107793	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1182412"	113.678718	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1653396"	341.063188	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"163901"	621.05604	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"601639"	893.12454	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1085787"	348.98754	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"142603"	311.031658	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"583257"	447.065908	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1068981"	174.997408	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1103172"	351.002092	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1337367"	351.089707	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1019281"	355.128876	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1537892"	356.122508	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1002146"	178.068076	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1597744"	357.037128	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1425591"	387.068638	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1155879"	198.581351	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1706524"	404.095185	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1639986"	409.05058	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1586575"	425.02452	"C01263"	"369-Trihydroxypterocarpan;(6aS11aS)-36a9-Trihydroxypterocarpan;(-)-Glycinol"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"810379"	330.074	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M"	0
"982819"	311.05561	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"75072"	219.042057333333	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"511717"	329.066724	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"888428"	109.017390666667	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"3721"	329.066724	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"445469"	494.103724	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"824362"	164.029724	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"84355"	659.140724	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"518643"	989.214724	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"895928"	329.066724	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"47337"	676.167271	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"491285"	1006.241271	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"865807"	346.093271	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"38085"	681.122666	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"484939"	1011.196666	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"858730"	351.048666	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1629359"	351.048666	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"101510"	347.055063	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"539977"	512.092063	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"933491"	182.018063	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"278977"	695.117402	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"671764"	1025.191402	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1283801"	365.043402	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"29274"	697.096606	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"464459"	1027.170606	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"840073"	367.022606	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1563561"	367.022606	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"949258"	375.072194	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"374036"	705.146201	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"359746"	719.161851	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1506756"	389.087851	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"971386"	397.054151	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"117738"	365.043402	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"559484"	530.080402	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1026099"	200.006402	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1247862"	408.992885	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1310312"	411.048872	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1323434"	433.030829	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"925433"	443.059586	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1301775"	479.036264	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1378113"	295.061324	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1387955"	313.0713	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"288738"	661.155276	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"678973"	991.229276	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1354227"	331.081276	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H"	1.007276
"136595"	331.081276	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"571052"	496.118276	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1039850"	166.044276	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"213225"	221.056609333333	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"652785"	331.081276	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1167628"	111.031942666667	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"434182"	678.181823	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"788615"	1008.255823	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1694426"	348.107823	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"336504"	339.5945495	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"725646"	504.6315495	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1486027"	174.5575495	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"402520"	683.137218	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"758050"	1013.211218	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1604081"	353.063218	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"318009"	342.072247	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"718452"	507.109247	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1466811"	177.035247	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1062244"	118.359256666667	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1266107"	363.107486	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"384681"	699.111158	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"745675"	1029.185158	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1551009"	369.037158	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+K"	38.963158
"305998"	350.059217	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"691612"	515.096217	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1450051"	185.022217	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"237559"	702.181826	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1210630"	372.107826	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1194875"	186.557551	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"189204"	705.11916	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"634611"	1035.19316	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1134835"	375.04516	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"177033"	353.063218	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"614039"	518.100218	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1121193"	188.026218	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1402894"	125.686570666667	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1436470"	377.086746	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"233093"	358.09624	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1513135"	391.13879	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"419382"	361.050188	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"776002"	526.087188	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1670146"	196.013188	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"257761"	724.163768	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1230470"	394.089768	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1718261"	394.113293	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1185803"	133.013884666667	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1653508"	399.068688	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"161096"	737.06704	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"598833"	1067.14104	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1088450"	406.99304	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"144535"	369.037158	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"582392"	534.074158	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1069701"	204.000158	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1102182"	409.007592	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1350254"	409.095207	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1018782"	413.134376	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1535809"	414.128008	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"996789"	207.070826	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1597854"	415.042628	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1425701"	445.074138	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1155989"	227.584101	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1704446"	462.100685	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1642287"	467.05608	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1576845"	483.03002	"C01265"	"37-Di-O-methylquercetin;345-Trihydroxy-37-dimethoxyflavone"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"807209"	647.2527	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M"	0
"980742"	628.23431	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H2O-H"	-19.01839
"72266"	430.494524	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-3H"	-3.021828
"512920"	646.245424	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-3H"	-3.021828
"891816"	214.743624	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-3H"	-3.021828
"6018"	646.245424	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H"	-2.014552
"449952"	969.871774	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H"	-2.014552
"825566"	322.619074	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H"	-2.014552
"85559"	1293.498124	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-H"	-1.007276
"519521"	1940.750824	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-H"	-1.007276
"896486"	646.245424	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H"	-1.007276
"47572"	1310.524671	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H+NH4"	16.019271
"491395"	1957.777371	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H+NH4"	16.019271
"867010"	663.271971	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H+NH4"	16.019271
"38195"	1315.480066	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H+Na"	20.974666
"483226"	1962.732766	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H+Na"	20.974666
"858840"	668.227366	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H+Na"	20.974666
"1629469"	668.227366	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na-2H"	20.974666
"102713"	664.233763	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-H+Cl"	33.962126
"542273"	987.860113	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-H+Cl"	33.962126
"934694"	340.607413	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+Cl"	33.962126
"277630"	1329.474802	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Cl"	34.969402
"672967"	1976.727502	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+Cl"	34.969402
"1283547"	682.222102	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl"	34.969402
"29384"	1331.454006	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H+K"	36.948606
"465298"	1978.706706	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H+K"	36.948606
"842370"	684.201306	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H+K"	36.948606
"1566587"	684.201306	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K-2H"	36.948606
"954833"	692.250894	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+HCOOH"	44.998194
"371955"	1339.503601	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+HCOOH-H"	44.998201
"355842"	1353.519251	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Hac-H"	59.013851
"1505041"	706.266551	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Hac-H"	59.013851
"972957"	714.232851	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+NaCOOH"	66.980151
"118941"	682.222102	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2Cl"	69.938804
"560686"	1005.848452	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2Cl"	69.938804
"1026573"	358.595752	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2Cl"	69.938804
"1249064"	726.171585	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Br"	78.918885
"1310422"	728.227572	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl+HCOOH"	80.974872
"1324638"	750.209529	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl+NaCOOH"	102.956829
"917887"	760.238286	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+CF3COOH"	112.985586
"1301156"	796.214964	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl+CF3COOH"	148.962264
"1376036"	612.240024	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H-2H2O"	-35.012676
"1388065"	630.25	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H-H2O"	-17.0027
"288848"	1295.512676	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H"	1.007276
"677988"	1942.765376	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H"	1.007276
"1352514"	648.259976	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H"	1.007276
"136705"	648.259976	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2H"	2.014552
"573348"	971.886326	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2H"	2.014552
"1039960"	324.633626	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2H"	2.014552
"211148"	432.509076	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+3H"	3.021828
"650707"	648.259976	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+3H"	3.021828
"1164458"	216.758176	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+3H"	3.021828
"435385"	1312.539223	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+NH4"	18.033823
"788725"	1959.791923	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+NH4"	18.033823
"1695992"	665.286523	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+NH4"	18.033823
"335521"	656.7732495	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H+NH4"	19.041099
"726849"	980.3995995	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H+NH4"	19.041099
"1483950"	333.1468995	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+NH4"	19.041099
"396069"	1317.494618	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Na"	22.989218
"764719"	1964.747318	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+Na"	22.989218
"1606256"	670.241918	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na"	22.989218
"319577"	659.250947	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H+Na"	23.996494
"721600"	982.877297	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H+Na"	23.996494
"1465826"	335.624597	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+Na"	23.996494
"1064541"	224.08549	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2H+Na"	25.00377
"1265124"	680.286186	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+CH3OH+H"	33.033486
"384791"	1333.468558	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+K"	38.963158
"743598"	1980.721258	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+K"	38.963158
"1548933"	686.215858	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K"	38.963158
"307201"	667.237917	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H+K"	39.970434
"693788"	990.864267	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H+K"	39.970434
"1450161"	343.611567	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+K"	39.970434
"239855"	1336.539226	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+ACN+H"	42.033826
"1211104"	689.286526	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+ACN+H"	42.033826
"1195348"	345.146901	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+ACN+2H"	43.041102
"190042"	1339.47656	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2Na-H"	44.97116
"634721"	1986.72926	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2Na-H"	44.97116
"1134945"	692.22386	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2Na-H"	44.97116
"177142"	670.241918	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2Na"	45.978436
"613214"	993.868268	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2Na"	45.978436
"1119116"	346.615568	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2Na"	45.978436
"1399724"	231.412804	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+2Na"	46.985712
"1434027"	694.265446	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+HCOOH"	47.012746
"225911"	675.27494	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+3H2O+2H"	56.04448
"1510813"	708.31749	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+IsoProp+H"	61.06479
"412201"	678.228888	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Na+K"	61.952376
"770275"	1001.855238	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+Na+K"	61.952376
"1669162"	354.602538	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na+K"	61.952376
"251525"	1358.521168	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+ACN+Na"	64.015768
"1227662"	711.268468	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+ACN+Na"	64.015768
"1716548"	711.291993	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+NH4+HCOOH"	64.039293
"1185912"	238.740118	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+3Na"	68.967654
"1653618"	716.247388	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na+HCOOH"	68.994688
"165946"	1371.42444	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2K-H"	76.91904
"600039"	2018.67714	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2K-H"	76.91904
"1085280"	724.17174	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2K-H"	76.91904
"145010"	686.215858	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2K"	77.926316
"582747"	1009.842208	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2K"	77.926316
"1070176"	362.589508	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2K"	77.926316
"1101926"	726.186292	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2K+H"	78.933592
"1349270"	726.273907	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+DMSO+H"	79.021207
"1018528"	730.313076	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2ACN+H"	83.060376
"1533733"	731.306708	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+IsoProp+Na+H"	84.054008
"996899"	365.660176	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2ACN+2H"	84.067652
"1597964"	732.221328	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K+HCOOH"	84.968628
"1424718"	762.252838	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+CF3COOH"	115.000138
"1157192"	386.173451	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+3ACN+2H"	125.094202
"1703463"	779.279385	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+NH4+CF3COOH"	132.026685
"1642397"	784.23478	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na+CF3COOH"	136.98208
"1576955"	800.20872	"C01266"	"3-Deoxydihydrostreptomycin 6-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K+CF3COOH"	152.95602
"807319"	220.0249	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M"	0
"983039"	201.00651	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-H2O-H"	-19.01839
"72376"	145.675990666667	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M-3H"	-3.021828
"514123"	219.017624	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M-3H"	-3.021828
"895169"	72.3343573333333	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-3H"	-3.021828
"9408"	219.017624	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M-2H"	-2.014552
"452248"	329.030074	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M-2H"	-2.014552
"825676"	109.005174	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-2H"	-2.014552
"87856"	439.042524	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M-H"	-1.007276
"520859"	659.067424	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M-H"	-1.007276
"901942"	219.017624	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-H"	-1.007276
"50850"	456.069071	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M-2H+NH4"	16.019271
"496972"	676.093971	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M-2H+NH4"	16.019271
"872587"	236.044171	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-2H+NH4"	16.019271
"36118"	461.024466	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M-2H+Na"	20.974666
"485160"	681.049366	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M-2H+Na"	20.974666
"858950"	240.999566	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-2H+Na"	20.974666
"1626296"	240.999566	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Na-2H"	20.974666
"101730"	237.005963	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M-H+Cl"	33.962126
"541290"	347.018413	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M-H+Cl"	33.962126
"934805"	126.993513	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-H+Cl"	33.962126
"274459"	475.019202	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+Cl"	34.969402
"672713"	695.044102	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+Cl"	34.969402
"1284022"	254.994302	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Cl"	34.969402
"27672"	476.998406	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M-2H+K"	36.948606
"467231"	697.023306	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M-2H+K"	36.948606
"842480"	256.973506	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-2H+K"	36.948606
"1565968"	256.973506	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+K-2H"	36.948606
"953850"	265.023094	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-H+HCOOH"	44.998194
"370972"	485.048001	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+HCOOH-H"	44.998201
"355952"	499.063651	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+Hac-H"	59.013851
"1504787"	279.038751	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Hac-H"	59.013851
"973064"	287.005051	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-H+NaCOOH"	66.980151
"123064"	254.994302	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+2Cl"	69.938804
"564079"	365.006752	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+2Cl"	69.938804
"1035434"	144.981852	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2Cl"	69.938804
"1252092"	298.943785	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Br"	78.918885
"1313449"	300.999772	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Cl+HCOOH"	80.974872
"1329122"	322.981729	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Cl+NaCOOH"	102.956829
"924557"	333.010486	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M-H+CF3COOH"	112.985586
"1301266"	368.987164	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Cl+CF3COOH"	148.962264
"1377239"	185.012224	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H-2H2O"	-35.012676
"1390361"	203.0222	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H-H2O"	-17.0027
"292238"	441.057076	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+H"	1.007276
"679556"	661.081976	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+H"	1.007276
"1353718"	221.032176	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H"	1.007276
"136815"	221.032176	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+2H"	2.014552
"571272"	331.044626	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+2H"	2.014552
"1040070"	111.019726	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2H"	2.014552
"215632"	147.690542666667	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+3H"	3.021828
"651911"	221.032176	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+3H"	3.021828
"1164568"	74.3489093333333	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+3H"	3.021828
"434402"	458.083623	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+NH4"	18.033823
"786282"	678.108523	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+NH4"	18.033823
"1696346"	238.058723	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+NH4"	18.033823
"335631"	229.5454495	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+H+NH4"	19.041099
"725137"	339.5578995	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+H+NH4"	19.041099
"1482967"	119.5329995	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H+NH4"	19.041099
"396179"	463.039018	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+Na"	22.989218
"768109"	683.063918	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+Na"	22.989218
"1608553"	243.014118	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Na"	22.989218
"319687"	232.023147	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+H+Na"	23.996494
"713204"	342.035597	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+H+Na"	23.996494
"1474686"	122.010697	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H+Na"	23.996494
"1067690"	81.6762233333333	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2H+Na"	25.00377
"1270701"	253.058386	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+CH3OH+H"	33.033486
"387088"	479.012958	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+K"	38.963158
"745895"	699.037858	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+K"	38.963158
"1550136"	258.988058	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+K"	38.963158
"307311"	240.010117	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+H+K"	39.970434
"693170"	350.022567	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+H+K"	39.970434
"1454645"	129.997667	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H+K"	39.970434
"243246"	482.083626	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+ACN+H"	42.033826
"1212674"	262.058726	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+ACN+H"	42.033826
"1196190"	131.533001	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+ACN+2H"	43.041102
"189910"	485.02096	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+2Na-H"	44.97116
"633737"	705.04586	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+2Na-H"	44.97116
"1134691"	264.99606	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2Na-H"	44.97116
"177252"	243.014118	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+2Na"	45.978436
"615718"	353.026568	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+2Na"	45.978436
"1121777"	133.001668	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2Na"	45.978436
"1400927"	89.0035373333333	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H+2Na"	46.985712
"1436689"	267.037646	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H+HCOOH"	47.012746
"224564"	248.04714	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+3H2O+2H"	56.04448
"1510073"	281.08969	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+IsoProp+H"	61.06479
"411947"	251.001088	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+Na+K"	61.952376
"770002"	361.013538	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+Na+K"	61.952376
"1670365"	140.988638	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Na+K"	61.952376
"253605"	504.065568	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+ACN+Na"	64.015768
"1227773"	284.040668	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+ACN+Na"	64.015768
"1712781"	284.064193	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+NH4+HCOOH"	64.039293
"1184929"	96.3308513333333	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+3Na"	68.967654
"1655913"	289.019588	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Na+HCOOH"	68.994688
"162776"	516.96884	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+2K-H"	76.91904
"603430"	736.99374	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+2K-H"	76.91904
"1087941"	296.94394	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2K-H"	76.91904
"145851"	258.988058	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"2M+2K"	77.926316
"582859"	369.000508	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"3M+2K"	77.926316
"1072109"	148.975608	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2K"	77.926316
"1103130"	298.958492	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2K+H"	78.933592
"1346093"	299.046107	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+DMSO+H"	79.021207
"1011343"	303.085276	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2ACN+H"	83.060376
"1528373"	304.078908	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+IsoProp+Na+H"	84.054008
"991540"	152.046276	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+2ACN+2H"	84.067652
"1591511"	304.993528	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+K+HCOOH"	84.968628
"1419360"	335.025038	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+H+CF3COOH"	115.000138
"1152929"	172.559551	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+3ACN+2H"	125.094202
"1698104"	352.051585	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+NH4+CF3COOH"	132.026685
"1642507"	357.00698	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+Na+CF3COOH"	136.98208
"1577065"	372.98092	"C01267"	"3-(Imidazol-4-yl)-2-oxopropyl phosphate;Imidazole-acetol phosphate"	"C6H9N2O5P"	"220.0249"	"M+K+CF3COOH"	152.95602
"807429"	354.0577	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M"	0
"984242"	335.03931	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-H2O-H"	-19.01839
"76861"	235.031190666667	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M-3H"	-3.021828
"517518"	353.050424	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M-3H"	-3.021828
"894223"	117.011957333333	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-3H"	-3.021828
"14623"	353.050424	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M-2H"	-2.014552
"454913"	530.079274	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M-2H"	-2.014552
"829067"	176.021574	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-2H"	-2.014552
"91247"	707.108124	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M-H"	-1.007276
"527529"	1061.165824	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M-H"	-1.007276
"904239"	353.050424	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-H"	-1.007276
"55334"	724.134671	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M-2H+NH4"	16.019271
"497083"	1078.192371	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M-2H+NH4"	16.019271
"874886"	370.076971	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-2H+NH4"	16.019271
"34161"	729.090066	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M-2H+Na"	20.974666
"476882"	1083.147766	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M-2H+Na"	20.974666
"855780"	375.032366	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-2H+Na"	20.974666
"1627500"	375.032366	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Na-2H"	20.974666
"98561"	371.038763	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M-H+Cl"	33.962126
"539214"	548.067613	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M-H+Cl"	33.962126
"937104"	194.009913	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-H+Cl"	33.962126
"274569"	743.084802	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+Cl"	34.969402
"673552"	1097.142502	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+Cl"	34.969402
"1283768"	389.027102	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Cl"	34.969402
"28511"	745.064006	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M-2H+K"	36.948606
"467341"	1099.121706	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M-2H+K"	36.948606
"844415"	391.006306	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-2H+K"	36.948606
"1566079"	391.006306	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+K-2H"	36.948606
"955054"	399.055894	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-H+HCOOH"	44.998194
"372177"	753.113601	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+HCOOH-H"	44.998201
"361157"	767.129251	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+Hac-H"	59.013851
"1507451"	413.071551	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Hac-H"	59.013851
"971721"	421.037851	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-H+NaCOOH"	66.980151
"120985"	389.027102	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+2Cl"	69.938804
"564557"	566.055952	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+2Cl"	69.938804
"1031896"	211.998252	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2Cl"	69.938804
"1250379"	432.976585	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Br"	78.918885
"1311735"	435.032572	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Cl+HCOOH"	80.974872
"1325953"	457.014529	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Cl+NaCOOH"	102.956829
"924303"	467.043286	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M-H+CF3COOH"	112.985586
"1301376"	503.019964	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Cl+CF3COOH"	148.962264
"1375163"	319.045024	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H-2H2O"	-35.012676
"1388285"	337.055	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H-H2O"	-17.0027
"292348"	709.122676	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+H"	1.007276
"677115"	1063.180376	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+H"	1.007276
"1352004"	355.064976	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H"	1.007276
"137289"	355.064976	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+2H"	2.014552
"571382"	532.093826	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+2H"	2.014552
"1039087"	178.036126	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2H"	2.014552
"214648"	237.045742666667	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+3H"	3.021828
"652021"	355.064976	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+3H"	3.021828
"1164678"	119.026509333333	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+3H"	3.021828
"434512"	726.149223	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+NH4"	18.033823
"787122"	1080.206923	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+NH4"	18.033823
"1694025"	372.091523	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+NH4"	18.033823
"335741"	363.5782495	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+H+NH4"	19.041099
"727069"	540.6070995	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+H+NH4"	19.041099
"1480890"	186.5493995	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H+NH4"	19.041099
"402849"	731.104618	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+Na"	22.989218
"758013"	1085.162318	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+Na"	22.989218
"1609754"	377.046918	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Na"	22.989218
"317610"	366.055947	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+H+Na"	23.996494
"714407"	543.084797	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+H+Na"	23.996494
"1473702"	189.027097	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H+Na"	23.996494
"1065854"	126.353823333333	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2H+Na"	25.00377
"1270810"	387.091186	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+CH3OH+H"	33.033486
"389384"	747.078558	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+K"	38.963158
"743818"	1101.136258	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+K"	38.963158
"1550246"	393.020858	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+K"	38.963158
"304141"	374.042917	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+H+K"	39.970434
"696558"	551.071767	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+H+K"	39.970434
"1454754"	197.014067	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H+K"	39.970434
"246636"	750.149226	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+ACN+H"	42.033826
"1214971"	396.091526	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+ACN+H"	42.033826
"1196668"	198.549401	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+ACN+2H"	43.041102
"189780"	753.08656	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+2Na-H"	44.97116
"633483"	1107.14426	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+2Na-H"	44.97116
"1136988"	399.02886	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2Na-H"	44.97116
"181372"	377.046918	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+2Na"	45.978436
"624212"	554.075768	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+2Na"	45.978436
"1126626"	200.018068	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2Na"	45.978436
"1404683"	133.681137333333	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H+2Na"	46.985712
"1438986"	401.070446	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H+HCOOH"	47.012746
"227589"	382.07994	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+3H2O+2H"	56.04448
"1513464"	415.12249	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+IsoProp+H"	61.06479
"411328"	385.033888	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+Na+K"	61.952376
"771592"	562.062738	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+Na+K"	61.952376
"1671568"	208.005038	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Na+K"	61.952376
"255901"	772.131168	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+ACN+Na"	64.015768
"1226422"	418.073468	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+ACN+Na"	64.015768
"1716404"	418.096993	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+NH4+HCOOH"	64.039293
"1188320"	141.008451333333	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+3Na"	68.967654
"1658212"	423.052388	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Na+HCOOH"	68.994688
"166166"	785.03444	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+2K-H"	76.91904
"604634"	1139.09214	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+2K-H"	76.91904
"1090239"	430.97674	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2K-H"	76.91904
"149242"	393.020858	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"2M+2K"	77.926316
"585522"	570.049708	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"3M+2K"	77.926316
"1074407"	215.992008	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2K"	77.926316
"1104334"	432.991292	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2K+H"	78.933592
"1336231"	433.078907	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+DMSO+H"	79.021207
"1009258"	437.118076	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2ACN+H"	83.060376
"1528476"	438.111708	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+IsoProp+Na+H"	84.054008
"990799"	219.062676	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+2ACN+2H"	84.067652
"1588340"	439.026328	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+K+HCOOH"	84.968628
"1415095"	469.057838	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+H+CF3COOH"	115.000138
"1153038"	239.575951	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+3ACN+2H"	125.094202
"1698214"	486.084385	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+NH4+CF3COOH"	132.026685
"1642617"	491.03978	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+Na+CF3COOH"	136.98208
"1577175"	507.01372	"C01268"	"5-Amino-6-(5-phosphoribosylamino)uracil;5-Amino-6-(ribosylamino)-24-(1H3H)-pyrimidinedione 5-phosphate;5-Amino-6-(5-phosphoribosylamino)uracil"	"C9H15N4O9P"	"354.0577"	"M+K+CF3COOH"	152.95602
"807539"	324.0246	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M"	0
"983259"	305.00621	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-H2O-H"	-19.01839
"76974"	215.009124	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M-3H"	-3.021828
"515442"	323.017324	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M-3H"	-3.021828
"895306"	107.000924	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-3H"	-3.021828
"15678"	323.017324	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M-2H"	-2.014552
"455306"	485.029624	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M-2H"	-2.014552
"831366"	161.005024	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-2H"	-2.014552
"92451"	647.041924	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M-H"	-1.007276
"525452"	971.066524	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M-H"	-1.007276
"902162"	323.017324	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-H"	-1.007276
"55445"	664.068471	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M-2H+NH4"	16.019271
"499746"	988.093071	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M-2H+NH4"	16.019271
"877183"	340.043871	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-2H+NH4"	16.019271
"36338"	669.023866	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M-2H+Na"	20.974666
"472007"	993.048466	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M-2H+Na"	20.974666
"855890"	344.999266	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-2H+Na"	20.974666
"1627610"	344.999266	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Na-2H"	20.974666
"98671"	341.005663	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M-H+Cl"	33.962126
"544792"	503.017963	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M-H+Cl"	33.962126
"932839"	178.993363	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-H+Cl"	33.962126
"274679"	683.018602	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+Cl"	34.969402
"673298"	1007.043202	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+Cl"	34.969402
"1287647"	358.994002	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Cl"	34.969402
"30080"	684.997806	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M-2H+K"	36.948606
"468179"	1009.022406	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M-2H+K"	36.948606
"843793"	360.973206	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-2H+K"	36.948606
"1567282"	360.973206	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+K-2H"	36.948606
"951884"	369.022794	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-H+HCOOH"	44.998194
"370100"	693.047401	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+HCOOH-H"	44.998201
"356171"	707.063051	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+Hac-H"	59.013851
"1503910"	383.038451	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Hac-H"	59.013851
"972550"	391.004751	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-H+NaCOOH"	66.980151
"123283"	358.994002	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+2Cl"	69.938804
"559923"	521.006302	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+2Cl"	69.938804
"1028726"	196.981702	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2Cl"	69.938804
"1247210"	402.943485	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Br"	78.918885
"1312939"	404.999472	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Cl+HCOOH"	80.974872
"1327155"	426.981429	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Cl+NaCOOH"	102.956829
"924049"	437.010186	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M-H+CF3COOH"	112.985586
"1301122"	472.986864	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Cl+CF3COOH"	148.962264
"1375273"	289.011924	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H-2H2O"	-35.012676
"1391675"	307.0219	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H-H2O"	-17.0027
"289179"	649.056476	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+H"	1.007276
"677227"	973.081076	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+H"	1.007276
"1353573"	325.031876	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H"	1.007276
"129741"	325.031876	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+2H"	2.014552
"567479"	487.044176	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+2H"	2.014552
"1038341"	163.019576	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2H"	2.014552
"214758"	217.023676	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+3H"	3.021828
"652131"	325.031876	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+3H"	3.021828
"1164788"	109.015476	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+3H"	3.021828
"434622"	666.083023	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+NH4"	18.033823
"792336"	990.107623	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+NH4"	18.033823
"1694135"	342.058423	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+NH4"	18.033823
"334757"	333.5451495	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+H+NH4"	19.041099
"727179"	495.5574495	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+H+NH4"	19.041099
"1481000"	171.5328495	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H+NH4"	19.041099
"396399"	671.038418	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+Na"	22.989218
"757395"	995.063018	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+Na"	22.989218
"1606586"	347.013818	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Na"	22.989218
"318084"	336.022847	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+H+Na"	23.996494
"715610"	498.035147	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+H+Na"	23.996494
"1473812"	174.010547	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H+Na"	23.996494
"1065599"	116.34279	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2H+Na"	25.00377
"1267640"	357.058086	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+CH3OH+H"	33.033486
"386214"	687.012358	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+K"	38.963158
"743928"	1011.036958	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+K"	38.963158
"1551449"	362.987758	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+K"	38.963158
"304251"	344.009817	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+H+K"	39.970434
"694482"	506.022117	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+H+K"	39.970434
"1453771"	181.997517	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H+K"	39.970434
"244559"	690.083026	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+ACN+H"	42.033826
"1217268"	366.058426	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+ACN+H"	42.033826
"1194834"	183.532851	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+ACN+2H"	43.041102
"189403"	693.02036	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+2Na-H"	44.97116
"633593"	1017.04496	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+2Na-H"	44.97116
"1137098"	368.99576	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2Na-H"	44.97116
"183669"	347.013818	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+2Na"	45.978436
"624322"	509.026118	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+2Na"	45.978436
"1130016"	185.001518	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2Na"	45.978436
"1404793"	123.670104	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H+2Na"	46.985712
"1441283"	371.037346	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H+HCOOH"	47.012746
"226606"	352.04684	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+3H2O+2H"	56.04448
"1513574"	385.08939	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+IsoProp+H"	61.06479
"412167"	355.000788	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+Na+K"	61.952376
"775348"	517.013088	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+Na+K"	61.952376
"1672772"	192.988488	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Na+K"	61.952376
"258199"	712.064968	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+ACN+Na"	64.015768
"1229816"	388.040368	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+ACN+Na"	64.015768
"1720888"	388.063893	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+NH4+HCOOH"	64.039293
"1185149"	130.997418	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+3Na"	68.967654
"1660508"	393.019288	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Na+HCOOH"	68.994688
"167370"	724.96824	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+2K-H"	76.91904
"601464"	1048.99284	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+2K-H"	76.91904
"1091444"	400.94364	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2K-H"	76.91904
"144250"	362.987758	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"2M+2K"	77.926316
"591099"	525.000058	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"3M+2K"	77.926316
"1071966"	200.975458	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2K"	77.926316
"1102261"	402.958192	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2K+H"	78.933592
"1337071"	403.045807	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+DMSO+H"	79.021207
"1009368"	407.084976	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2ACN+H"	83.060376
"1527493"	408.078608	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+IsoProp+Na+H"	84.054008
"991027"	204.046126	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+2ACN+2H"	84.067652
"1588450"	408.993228	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+K+HCOOH"	84.968628
"1415325"	439.024738	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+H+CF3COOH"	115.000138
"1147800"	224.559401	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+3ACN+2H"	125.094202
"1699414"	456.051285	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+NH4+CF3COOH"	132.026685
"1642727"	461.00668	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+Na+CF3COOH"	136.98208
"1577285"	476.98062	"C01269"	"5-O-(1-Carboxyvinyl)-3-phosphoshikimate;O5-(1-Carboxyvinyl)-3-phosphoshikimate"	"C10H13O10P"	"324.0246"	"M+K+CF3COOH"	152.95602
"806556"	153.0426	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M"	0
"980089"	134.02421	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"78060"	101.021124	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"517495"	152.035324	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"894566"	50.006924	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"15451"	152.035324	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"455375"	228.556624	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"830749"	75.514024	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"91833"	305.077924	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"524469"	458.120524	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"904459"	152.035324	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"55555"	322.104471	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"499857"	475.147071	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"876201"	169.061871	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"37541"	327.059866	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"472725"	480.102466	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"854904"	174.017266	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1625532"	174.017266	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"100968"	170.023663	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"540528"	246.544963	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"932949"	93.502363	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"276611"	341.054602	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"673408"	494.097202	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1287393"	188.012002	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"30190"	343.033806	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"467196"	496.076406	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"843903"	189.991206	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1567028"	189.991206	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"950900"	198.040794	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"369117"	351.083401	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"354094"	365.099051	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1500740"	212.056451	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"973267"	220.022751	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"122664"	188.012002	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"562586"	264.533302	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1028836"	111.490702	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1247320"	231.961485	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1310863"	234.017472	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1325079"	255.999429	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"924887"	266.028186	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1297221"	302.004864	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1378663"	118.029924	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1389598"	136.0399	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"292565"	307.092476	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"676970"	460.135076	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1353682"	154.049876	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"126570"	154.049876	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"567585"	230.571176	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1038574"	77.528576	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"213775"	103.035676	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"652241"	154.049876	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1167085"	52.021476	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"434732"	324.119023	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"792446"	477.161623	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1693152"	171.076423	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"337054"	162.5631495	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"727289"	239.0844495	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1482203"	86.0418495	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"396873"	329.074418	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"755317"	482.117018	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1605603"	176.031818	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"318558"	165.040847	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"713534"	241.562147	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1473922"	88.519547	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1060606"	59.34879	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1266656"	186.076086	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"385230"	345.048358	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"745131"	498.090958	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1549372"	192.005758	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"303267"	173.027817	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"691916"	249.549117	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1448413"	96.506517	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"240294"	348.119026	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1211911"	195.076426	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1196153"	98.041851	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"190118"	351.05636	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"634794"	504.09896	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1135019"	198.01376	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"182686"	176.031818	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"622246"	252.553118	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1124659"	99.510518	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1405267"	66.676104	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1441393"	200.055346	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"226716"	181.06484	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1512226"	214.10739	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"411546"	184.018788	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"775458"	260.540088	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1672882"	107.497488	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"257215"	370.100968	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1227738"	217.058368	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1718811"	217.081893	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1180885"	74.003418	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1657338"	222.037288	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"165292"	383.00424	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"600480"	536.04684	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1087179"	229.96164	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"142903"	192.005758	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"587928"	268.527058	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1072075"	115.484458	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1102733"	231.976192	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1337793"	232.063807	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1009113"	236.102976	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1527238"	237.096608	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"991016"	118.555126	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1588681"	238.011228	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1416407"	268.042738	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1147789"	139.068401	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1699159"	285.069285	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1642837"	290.02468	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1577395"	305.99862	"C01270"	"3-Hydroxy-2-methylpyridine-5-carboxylate"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"807760"	499.9287	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M"	0
"989315"	480.91031	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H2O-H"	-19.01839
"77682"	332.278524	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-3H"	-3.021828
"517484"	498.921424	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-3H"	-3.021828
"895040"	165.635624	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-3H"	-3.021828
"10943"	498.921424	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H"	-2.014552
"453417"	748.885774	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H"	-2.014552
"827212"	248.957074	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H"	-2.014552
"78610"	998.850124	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H"	-1.007276
"521302"	1498.778824	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H"	-1.007276
"899103"	498.921424	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H"	-1.007276
"52382"	1015.876671	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+NH4"	16.019271
"495225"	1515.805371	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+NH4"	16.019271
"865740"	515.947971	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+NH4"	16.019271
"36559"	1020.832066	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+Na"	20.974666
"480496"	1520.760766	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+Na"	20.974666
"856112"	520.903366	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+Na"	20.974666
"1625644"	520.903366	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na-2H"	20.974666
"98890"	516.909763	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H+Cl"	33.962126
"539546"	766.874113	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H+Cl"	33.962126
"939625"	266.945413	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+Cl"	33.962126
"278180"	1034.826802	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Cl"	34.969402
"671330"	1534.755502	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Cl"	34.969402
"1281909"	534.898102	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl"	34.969402
"25555"	1036.806006	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+K"	36.948606
"466211"	1536.734706	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+K"	36.948606
"840736"	536.877306	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+K"	36.948606
"1562036"	536.877306	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K-2H"	36.948606
"953195"	544.926894	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+HCOOH"	44.998194
"370317"	1044.855601	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+HCOOH-H"	44.998201
"358218"	1058.871251	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Hac-H"	59.013851
"1505592"	558.942551	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Hac-H"	59.013851
"972046"	566.908851	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+NaCOOH"	66.980151
"122044"	534.898102	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Cl"	69.938804
"561244"	784.862452	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Cl"	69.938804
"1028947"	284.933752	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Cl"	69.938804
"1252536"	578.847585	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Br"	78.918885
"1314257"	580.903572	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+HCOOH"	80.974872
"1333943"	602.885529	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+NaCOOH"	102.956829
"920625"	612.914286	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+CF3COOH"	112.985586
"1298427"	648.890964	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+CF3COOH"	148.962264
"1378774"	464.916024	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-2H2O"	-35.012676
"1398176"	482.926	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-H2O"	-17.0027
"283930"	1000.864676	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H"	1.007276
"677446"	1500.793376	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H"	1.007276
"1353790"	500.935976	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H"	1.007276
"128868"	500.935976	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2H"	2.014552
"568431"	750.900326	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2H"	2.014552
"1052186"	250.971626	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H"	2.014552
"213886"	334.293076	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H"	3.021828
"653446"	500.935976	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+3H"	3.021828
"1171571"	167.650176	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3H"	3.021828
"430467"	1017.891223	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+NH4"	18.033823
"792558"	1517.819923	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+NH4"	18.033823
"1687793"	517.962523	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4"	18.033823
"333158"	509.4492495	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+NH4"	19.041099
"723633"	759.4135995	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+NH4"	19.041099
"1480126"	259.4848995	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+NH4"	19.041099
"394068"	1022.846618	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na"	22.989218
"755790"	1522.775318	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na"	22.989218
"1610092"	522.917918	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na"	22.989218
"317209"	511.926947	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+Na"	23.996494
"712551"	761.891297	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+Na"	23.996494
"1466370"	261.962597	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+Na"	23.996494
"1057431"	174.97749	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H+Na"	25.00377
"1263484"	532.962186	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+CH3OH+H"	33.033486
"382058"	1038.820558	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+K"	38.963158
"746335"	1538.749258	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+K"	38.963158
"1549482"	538.891858	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K"	38.963158
"304471"	519.913917	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+K"	39.970434
"693608"	769.878267	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+K"	39.970434
"1449616"	269.949567	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+K"	39.970434
"241498"	1041.891226	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+H"	42.033826
"1210598"	541.962526	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+H"	42.033826
"1194563"	271.484901	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+2H"	43.041102
"193158"	1044.82856	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na-H"	44.97116
"634907"	1544.75726	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na-H"	44.97116
"1135129"	544.89986	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na-H"	44.97116
"178054"	522.917918	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na"	45.978436
"618347"	772.882268	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na"	45.978436
"1123675"	272.953568	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na"	45.978436
"1406106"	182.304804	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+2Na"	46.985712
"1442596"	546.941446	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+HCOOH"	47.012746
"231926"	527.95094	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H2O+2H"	56.04448
"1514888"	560.99349	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+H"	61.06479
"417854"	530.904888	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na+K"	61.952376
"779941"	780.869238	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na+K"	61.952376
"1671899"	280.940538	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+K"	61.952376
"259512"	1063.873168	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+Na"	64.015768
"1228942"	563.944468	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+Na"	64.015768
"1720015"	563.967993	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+HCOOH"	64.039293
"1190836"	189.632118	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3Na"	68.967654
"1658542"	568.923388	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+HCOOH"	68.994688
"162123"	1076.77644	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K-H"	76.91904
"602777"	1576.70514	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K-H"	76.91904
"1088382"	576.84774	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K-H"	76.91904
"148478"	538.891858	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K"	77.926316
"585852"	788.856208	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K"	77.926316
"1072550"	288.927508	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K"	77.926316
"1100789"	578.862292	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K+H"	78.933592
"1336201"	578.949907	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+DMSO+H"	79.021207
"1006189"	582.989076	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+H"	83.060376
"1524256"	583.982708	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+Na+H"	84.054008
"990396"	291.998176	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+2H"	84.067652
"1587697"	584.897328	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+HCOOH"	84.968628
"1415543"	614.928838	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+CF3COOH"	115.000138
"1148990"	312.511451	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3ACN+2H"	125.094202
"1705109"	631.955385	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+CF3COOH"	132.026685
"1642947"	636.91078	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+CF3COOH"	136.98208
"1580786"	652.88472	"C01272"	"1D-myo-Inositol 1345-tetrakisphosphate;D-myo-Inositol 1345-tetrakisphosphate;Inositol 1345-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+CF3COOH"	152.95602
"805683"	218.0579	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M"	0
"989390"	199.03951	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-H2O-H"	-19.01839
"77915"	144.364657333333	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M-3H"	-3.021828
"516861"	217.050624	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M-3H"	-3.021828
"894543"	71.6786906666667	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-3H"	-3.021828
"7773"	217.050624	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M-2H"	-2.014552
"453892"	326.079574	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M-2H"	-2.014552
"822948"	108.021674	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-2H"	-2.014552
"79538"	435.108524	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M-H"	-1.007276
"519095"	653.166424	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M-H"	-1.007276
"899213"	217.050624	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-H"	-1.007276
"50306"	452.135071	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M-2H+NH4"	16.019271
"492053"	670.192971	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M-2H+NH4"	16.019271
"864997"	234.077171	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-2H+NH4"	16.019271
"39948"	457.090466	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M-2H+Na"	20.974666
"482427"	675.148366	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M-2H+Na"	20.974666
"857314"	239.032566	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-2H+Na"	20.974666
"1628669"	239.032566	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Na-2H"	20.974666
"102279"	235.038963	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M-H+Cl"	33.962126
"544393"	344.067913	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M-H+Cl"	33.962126
"938640"	126.010013	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-H+Cl"	33.962126
"280355"	471.085202	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+Cl"	34.969402
"670709"	689.143102	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+Cl"	34.969402
"1284204"	253.027302	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Cl"	34.969402
"24571"	473.064406	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M-2H+K"	36.948606
"467413"	691.122306	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M-2H+K"	36.948606
"842299"	255.006506	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-2H+K"	36.948606
"1563239"	255.006506	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+K-2H"	36.948606
"953305"	263.056094	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-H+HCOOH"	44.998194
"372249"	481.114001	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+HCOOH-H"	44.998201
"356140"	495.129651	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+Hac-H"	59.013851
"1505339"	277.071751	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Hac-H"	59.013851
"972398"	285.038051	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-H+NaCOOH"	66.980151
"119967"	253.027302	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+2Cl"	69.938804
"560259"	362.056252	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+2Cl"	69.938804
"1026504"	143.998352	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2Cl"	69.938804
"1252646"	296.976785	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Br"	78.918885
"1313271"	299.032772	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Cl+HCOOH"	80.974872
"1334540"	321.014729	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Cl+NaCOOH"	102.956829
"921828"	331.043486	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M-H+CF3COOH"	112.985586
"1296350"	367.020164	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Cl+CF3COOH"	148.962264
"1378884"	183.045224	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H-2H2O"	-35.012676
"1397841"	201.0552	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H-H2O"	-17.0027
"285498"	437.123076	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+H"	1.007276
"677311"	655.180976	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+H"	1.007276
"1354993"	219.065176	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H"	1.007276
"128613"	219.065176	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+2H"	2.014552
"568905"	328.094126	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+2H"	2.014552
"1051567"	110.036226	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2H"	2.014552
"215089"	146.379209333333	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+3H"	3.021828
"655742"	219.065176	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+3H"	3.021828
"1171681"	73.6932426666667	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+3H"	3.021828
"430577"	454.149623	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+NH4"	18.033823
"794854"	672.207523	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+NH4"	18.033823
"1687903"	236.091723	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+NH4"	18.033823
"333268"	227.5784495	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+H+NH4"	19.041099
"724592"	336.6073995	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+H+NH4"	19.041099
"1479507"	118.5494995	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H+NH4"	19.041099
"395271"	459.105018	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+Na"	22.989218
"757723"	677.162918	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+Na"	22.989218
"1614575"	241.047118	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Na"	22.989218
"318414"	230.056147	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+H+Na"	23.996494
"714848"	339.085097	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+H+Na"	23.996494
"1467573"	121.027197	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H+Na"	23.996494
"1059727"	81.0205566666667	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2H+Na"	25.00377
"1263593"	251.091386	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+CH3OH+H"	33.033486
"382168"	475.078958	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+K"	38.963158
"746445"	693.136858	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+K"	38.963158
"1550685"	257.021058	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+K"	38.963158
"305674"	238.043117	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+H+K"	39.970434
"694811"	347.072067	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+H+K"	39.970434
"1450819"	129.014167	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H+K"	39.970434
"243796"	478.149626	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+ACN+H"	42.033826
"1210788"	260.091726	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+ACN+H"	42.033826
"1194434"	130.549501	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+ACN+2H"	43.041102
"193268"	481.08696	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+2Na-H"	44.97116
"635017"	699.14486	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+2Na-H"	44.97116
"1136333"	263.02906	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2Na-H"	44.97116
"179987"	241.047118	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+2Na"	45.978436
"615903"	350.076068	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+2Na"	45.978436
"1121598"	132.018168	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2Na"	45.978436
"1409132"	88.3478706666667	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H+2Na"	46.985712
"1439425"	265.070646	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H+HCOOH"	47.012746
"231308"	246.08014	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+3H2O+2H"	56.04448
"1517185"	279.12269	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+IsoProp+H"	61.06479
"414684"	249.034088	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+Na+K"	61.952376
"780053"	358.063038	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+Na+K"	61.952376
"1670915"	140.005138	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Na+K"	61.952376
"259622"	500.131568	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+ACN+Na"	64.015768
"1230146"	282.073668	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+ACN+Na"	64.015768
"1720125"	282.097193	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+NH4+HCOOH"	64.039293
"1189853"	95.6751846666667	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+3Na"	68.967654
"1658652"	287.052588	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Na+HCOOH"	68.994688
"162233"	513.03484	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+2K-H"	76.91904
"603980"	731.09274	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+2K-H"	76.91904
"1093959"	294.97694	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2K-H"	76.91904
"149681"	257.021058	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"2M+2K"	77.926316
"587055"	366.050008	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"3M+2K"	77.926316
"1074847"	147.992108	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2K"	77.926316
"1100898"	296.991492	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2K+H"	78.933592
"1336799"	297.079107	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+DMSO+H"	79.021207
"1007512"	301.118276	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2ACN+H"	83.060376
"1524785"	302.111908	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+IsoProp+Na+H"	84.054008
"990628"	151.062776	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+2ACN+2H"	84.067652
"1587681"	303.026528	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+K+HCOOH"	84.968628
"1414678"	333.058038	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+H+CF3COOH"	115.000138
"1150193"	171.576051	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+3ACN+2H"	125.094202
"1703032"	350.084585	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+NH4+CF3COOH"	132.026685
"1643057"	355.03998	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+Na+CF3COOH"	136.98208
"1580896"	371.01392	"C01273"	"2-Hydroxy-6-oxo-6-phenylhexa-24-dienoate;26-Dioxo-6-phenylhexa-3-enoate"	"C12H10O4"	"218.0579"	"M+K+CF3COOH"	152.95602
"804700"	804.2579	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M"	0
"989535"	785.23951	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-H2O-H"	-19.01839
"77412"	535.164657333333	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M-3H"	-3.021828
"514784"	803.250624	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M-3H"	-3.021828
"892588"	267.078690666667	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-3H"	-3.021828
"10070"	803.250624	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M-2H"	-2.014552
"454002"	1205.379574	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M-2H"	-2.014552
"821965"	401.121674	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-2H"	-2.014552
"79039"	1607.508524	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M-H"	-1.007276
"518842"	2411.766424	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M-H"	-1.007276
"899323"	803.250624	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-H"	-1.007276
"50416"	1624.535071	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M-2H+NH4"	16.019271
"492163"	2428.792971	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M-2H+NH4"	16.019271
"864982"	820.277171	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-2H+NH4"	16.019271
"40058"	1629.490466	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M-2H+Na"	20.974666
"482901"	2433.748366	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M-2H+Na"	20.974666
"858517"	825.232566	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-2H+Na"	20.974666
"1625863"	825.232566	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Na-2H"	20.974666
"102389"	821.238963	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M-H+Cl"	33.962126
"539762"	1223.367913	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M-H+Cl"	33.962126
"939843"	419.110013	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-H+Cl"	33.962126
"279493"	1643.485202	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+Cl"	34.969402
"670819"	2447.743102	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+Cl"	34.969402
"1284314"	839.227302	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Cl"	34.969402
"25774"	1645.464406	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M-2H+K"	36.948606
"467522"	2449.722306	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M-2H+K"	36.948606
"844231"	841.206506	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-2H+K"	36.948606
"1565533"	841.206506	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+K-2H"	36.948606
"953415"	849.256094	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-H+HCOOH"	44.998194
"371630"	1653.514001	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+HCOOH-H"	44.998201
"353334"	1667.529651	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+Hac-H"	59.013851
"1503625"	863.271751	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Hac-H"	59.013851
"971535"	871.238051	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-H+NaCOOH"	66.980151
"119348"	839.227302	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+2Cl"	69.938804
"560366"	1241.356252	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+2Cl"	69.938804
"1026980"	437.098352	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+2Cl"	69.938804
"1245827"	883.176785	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Br"	78.918885
"1310094"	885.232772	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Cl+HCOOH"	80.974872
"1326502"	907.214729	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Cl+NaCOOH"	102.956829
"925218"	917.243486	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M-H+CF3COOH"	112.985586
"1297552"	953.220164	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Cl+CF3COOH"	148.962264
"1376807"	769.245224	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+H-2H2O"	-35.012676
"1391022"	787.2552	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+H-H2O"	-17.0027
"286336"	1609.523076	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+H"	1.007276
"678758"	2413.780976	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+H"	1.007276
"1352189"	805.265176	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+H"	1.007276
"127994"	805.265176	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+2H"	2.014552
"566822"	1207.394126	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+2H"	2.014552
"1049125"	403.136226	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+2H"	2.014552
"214106"	537.179209333333	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+3H"	3.021828
"655852"	805.265176	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+3H"	3.021828
"1172884"	269.093242666667	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+3H"	3.021828
"430687"	1626.549623	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+NH4"	18.033823
"794964"	2430.807523	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+NH4"	18.033823
"1688013"	822.291723	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+NH4"	18.033823
"333742"	813.7784495	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+H+NH4"	19.041099
"724215"	1215.9073995	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+H+NH4"	19.041099
"1479981"	411.6494995	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+H+NH4"	19.041099
"394287"	1631.505018	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+Na"	22.989218
"757104"	2435.762918	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+Na"	22.989218
"1610312"	827.247118	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+Na"	22.989218
"318888"	816.256147	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+H+Na"	23.996494
"711311"	1218.385097	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+H+Na"	23.996494
"1463671"	414.127197	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+H+Na"	23.996494
"1055463"	276.420556666667	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+2H+Na"	25.00377
"1262610"	837.291386	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+CH3OH+H"	33.033486
"379725"	1647.478958	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+K"	38.963158
"746555"	2451.736858	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+K"	38.963158
"1549702"	843.221058	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+K"	38.963158
"300316"	824.243117	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+H+K"	39.970434
"693828"	1226.372067	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+H+K"	39.970434
"1448743"	422.114167	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+H+K"	39.970434
"240625"	1650.549626	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+ACN+H"	42.033826
"1211144"	846.291726	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+ACN+H"	42.033826
"1194299"	423.649501	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+ACN+2H"	43.041102
"194106"	1653.48696	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"2M+2Na-H"	44.97116
"636220"	2457.74486	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"3M+2Na-H"	44.97116
"1137171"	849.22906	"C01274"	"5-Formyl-5678-tetrahydromethanopterin;5-Formyl-H4MPT"	"C31H45N6O17P"	"804.2579"	"M+2Na-H"	44.97116
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"717257"	342.054047	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+H+Na"	23.996494
"1469988"	122.016847	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+Na"	23.996494
"1061046"	81.6803233333333	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2H+Na"	25.00377
"1262720"	253.070686	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+CH3OH+H"	33.033486
"383485"	479.037558	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+K"	38.963158
"746666"	699.074758	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+K"	38.963158
"1545438"	259.000358	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+K"	38.963158
"300425"	240.022417	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+H+K"	39.970434
"691993"	350.041017	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+H+K"	39.970434
"1448123"	130.003817	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+K"	39.970434
"238548"	482.108226	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+ACN+H"	42.033826
"1210523"	262.071026	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+ACN+H"	42.033826
"1199521"	131.539151	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+ACN+2H"	43.041102
"198960"	485.04556	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2Na-H"	44.97116
"639613"	705.08276	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2Na-H"	44.97116
"1136554"	265.00836	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2Na-H"	44.97116
"183128"	243.026418	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2Na"	45.978436
"623783"	353.045018	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2Na"	45.978436
"1125101"	133.007818	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2Na"	45.978436
"1403156"	89.0076373333333	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+2Na"	46.985712
"1435273"	267.049946	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+HCOOH"	47.012746
"223508"	248.05944	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+3H2O+2H"	56.04448
"1512664"	281.10199	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+IsoProp+H"	61.06479
"414903"	251.013388	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+Na+K"	61.952376
"774078"	361.031988	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+Na+K"	61.952376
"1672233"	140.994788	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na+K"	61.952376
"252918"	504.090168	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+ACN+Na"	64.015768
"1227815"	284.052968	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+ACN+Na"	64.015768
"1714878"	284.076493	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+NH4+HCOOH"	64.039293
"1186792"	96.3349513333333	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+3Na"	68.967654
"1650852"	289.031888	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na+HCOOH"	68.994688
"158320"	516.99344	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2K-H"	76.91904
"598366"	737.03064	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2K-H"	76.91904
"1091992"	296.95624	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2K-H"	76.91904
"143341"	259.000358	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2K"	77.926316
"585089"	369.018958	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2K"	77.926316
"1071792"	148.981758	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2K"	77.926316
"1103184"	298.970792	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2K+H"	78.933592
"1338478"	299.058407	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+DMSO+H"	79.021207
"1009923"	303.097576	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2ACN+H"	83.060376
"1525250"	304.091208	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+IsoProp+Na+H"	84.054008
"990726"	152.052426	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2ACN+2H"	84.067652
"1587901"	305.005828	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+K+HCOOH"	84.968628
"1420129"	335.037338	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+CF3COOH"	115.000138
"1152605"	172.565701	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+3ACN+2H"	125.094202
"1703252"	352.063885	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+NH4+CF3COOH"	132.026685
"1643277"	357.01928	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na+CF3COOH"	136.98208
"1577835"	372.99322	"C01275"	"(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;trans-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+K+CF3COOH"	152.95602
"814766"	186.0164	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M"	0
"981737"	166.99801	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"71072"	123.003657333333	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"508446"	185.009124	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"889532"	60.9981906666667	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"7013"	185.009124	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"452778"	278.017324	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"832676"	92.000924	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"93125"	371.025524	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"533049"	557.041924	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"902830"	185.009124	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"60487"	388.052071	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"497862"	574.068471	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"874571"	202.035671	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"41379"	393.007466	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"482033"	579.023866	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"860930"	206.991066	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1631556"	206.991066	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"104804"	202.997463	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"539990"	296.005663	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"933503"	109.989263	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"274248"	407.002202	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"672138"	593.018602	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1282355"	220.985802	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"28192"	408.981406	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"469940"	594.997806	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"846651"	222.965006	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1561389"	222.965006	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"955834"	231.014594	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"370769"	417.031001	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"358669"	431.046651	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1501306"	245.030251	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"967754"	252.996551	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"121032"	220.985802	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"560591"	313.994002	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1034860"	127.977602	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1255533"	264.935285	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1316886"	266.991272	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1333289"	288.973229	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"923987"	299.001986	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1299964"	334.978664	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1372658"	151.003724	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1396719"	169.0137	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"296405"	373.040076	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"685548"	559.056476	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1360806"	187.023676	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"136977"	187.023676	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"576537"	280.031876	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1045339"	94.015476	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"212146"	125.018209333333	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"652800"	187.023676	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1174204"	63.0127426666667	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"433102"	390.066623	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"794097"	576.083023	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1690428"	204.050223	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"339800"	195.5369495	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"730035"	288.5451495	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1483860"	102.5287495	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"395980"	395.022018	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"758066"	581.038418	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1603977"	209.005618	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"318388"	198.014647	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"710811"	291.022847	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1461710"	105.006447	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1054596"	70.3400566666667	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1259555"	219.049886	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"378132"	410.995958	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"742407"	597.012358	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1545550"	224.979558	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"303819"	206.001617	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"692958"	299.009817	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1446779"	112.993417	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"246326"	414.066626	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1217940"	228.050226	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1205105"	114.528751	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"196882"	417.00396	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"640817"	603.02036	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1142138"	230.98756	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"181055"	209.005618	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"621708"	302.013818	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1125214"	115.997418	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1403270"	77.6673706666667	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1436477"	233.029146	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"225077"	214.03864	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1512048"	247.08119	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"418298"	216.992588	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"772002"	310.000788	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1669427"	123.984388	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"255580"	436.048568	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1229385"	250.032168	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1714625"	250.055693	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1179977"	84.9946846666667	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1651330"	255.011088	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"158919"	448.95184	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"598484"	634.96824	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1094299"	262.93544	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"145650"	224.979558	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"594687"	317.987758	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1070207"	131.971358	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1101841"	264.949992	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1338226"	265.037607	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1007848"	269.076776	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1527068"	270.070408	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"998984"	135.042026	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1597862"	270.985028	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1422429"	301.016538	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1148706"	155.555301	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1700081"	318.043085	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1646670"	322.99848	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1577947"	338.97242	"C01278"	"2-Carboxy-25-dihydro-5-oxofuran-2-acetate;5-Carboxy-25-dihydro-2-oxofuran-5-acetate;4-Carboxymuconolactone;gamma-Carboxymuconolactone"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"808311"	139.0746	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M"	0
"986218"	120.05621	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-H2O-H"	-19.01839
"68995"	91.709124	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M-3H"	-3.021828
"506369"	138.067324	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M-3H"	-3.021828
"880893"	45.350924	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-3H"	-3.021828
"6030"	138.067324	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M-2H"	-2.014552
"449969"	207.604624	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M-2H"	-2.014552
"832521"	68.530024	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-2H"	-2.014552
"93727"	277.141924	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M-H"	-1.007276
"533280"	416.216524	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M-H"	-1.007276
"902938"	138.067324	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-H"	-1.007276
"58408"	294.168471	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M-2H+NH4"	16.019271
"501618"	433.243071	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M-2H+NH4"	16.019271
"876870"	155.093871	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-2H+NH4"	16.019271
"42583"	299.123866	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M-2H+Na"	20.974666
"483236"	438.198466	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M-2H+Na"	20.974666
"861771"	160.049266	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-2H+Na"	20.974666
"1630575"	160.049266	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Na-2H"	20.974666
"102727"	156.055663	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M-H+Cl"	33.962126
"540099"	225.592963	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M-H+Cl"	33.962126
"932520"	86.518363	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-H+Cl"	33.962126
"272173"	313.118602	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+Cl"	34.969402
"666781"	452.193202	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+Cl"	34.969402
"1278091"	174.044002	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Cl"	34.969402
"25022"	315.097806	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M-2H+K"	36.948606
"465677"	454.172406	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M-2H+K"	36.948606
"844573"	176.023206	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-2H+K"	36.948606
"1561499"	176.023206	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+K-2H"	36.948606
"952664"	184.072794	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-H+HCOOH"	44.998194
"372702"	323.147401	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+HCOOH-H"	44.998201
"359507"	337.163051	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+Hac-H"	59.013851
"1503603"	198.088451	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Hac-H"	59.013851
"970415"	206.054751	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-H+NaCOOH"	66.980151
"121142"	174.044002	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+2Cl"	69.938804
"560701"	243.581302	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+2Cl"	69.938804
"1036428"	104.506702	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2Cl"	69.938804
"1256372"	217.993485	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Br"	78.918885
"1316996"	220.049472	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Cl+HCOOH"	80.974872
"1332306"	242.031429	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Cl+NaCOOH"	102.956829
"924097"	252.060186	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M-H+CF3COOH"	112.985586
"1298981"	288.036864	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Cl+CF3COOH"	148.962264
"1373861"	104.061924	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H-2H2O"	-35.012676
"1395736"	122.0719	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H-H2O"	-17.0027
"296515"	279.156476	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+H"	1.007276
"687844"	418.231076	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+H"	1.007276
"1364925"	140.081876	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H"	1.007276
"135994"	140.081876	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+2H"	2.014552
"578468"	209.619176	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+2H"	2.014552
"1046543"	70.544576	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2H"	2.014552
"213350"	93.723676	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+3H"	3.021828
"651817"	140.081876	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+3H"	3.021828
"1173221"	47.365476	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+3H"	3.021828
"433212"	296.183023	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+NH4"	18.033823
"792021"	435.257623	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+NH4"	18.033823
"1688351"	157.108423	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+NH4"	18.033823
"339910"	148.5951495	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+H+NH4"	19.041099
"730145"	218.1324495	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+H+NH4"	19.041099
"1487250"	79.0578495	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H+NH4"	19.041099
"396090"	301.138418	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+Na"	22.989218
"755989"	440.213018	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+Na"	22.989218
"1605183"	162.063818	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Na"	22.989218
"317405"	151.072847	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+H+Na"	23.996494
"712016"	220.610147	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+H+Na"	23.996494
"1464743"	81.535547	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H+Na"	23.996494
"1056896"	54.69279	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2H+Na"	25.00377
"1259666"	172.108086	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+CH3OH+H"	33.033486
"380429"	317.112358	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+K"	38.963158
"744704"	456.186958	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+K"	38.963158
"1543472"	178.037758	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+K"	38.963158
"301743"	159.059817	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+H+K"	39.970434
"693067"	228.597117	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+H+K"	39.970434
"1445792"	89.522517	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H+K"	39.970434
"245343"	320.183026	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+ACN+H"	42.033826
"1216957"	181.108426	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+ACN+H"	42.033826
"1205215"	91.057851	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+ACN+2H"	43.041102
"203070"	323.12036	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+2Na-H"	44.97116
"642873"	462.19496	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+2Na-H"	44.97116
"1136781"	184.04576	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2Na-H"	44.97116
"182258"	162.063818	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+2Na"	45.978436
"619631"	231.601118	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+2Na"	45.978436
"1125324"	92.526518	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2Na"	45.978436
"1405567"	62.020104	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H+2Na"	46.985712
"1435494"	186.087346	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H+HCOOH"	47.012746
"224094"	167.09684	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+3H2O+2H"	56.04448
"1511426"	200.13939	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+IsoProp+H"	61.06479
"411843"	170.050788	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+Na+K"	61.952376
"775026"	239.588088	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+Na+K"	61.952376
"1673542"	100.513488	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Na+K"	61.952376
"252043"	342.164968	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+ACN+Na"	64.015768
"1228765"	203.090368	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+ACN+Na"	64.015768
"1714733"	203.113893	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+NH4+HCOOH"	64.039293
"1180454"	69.347418	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+3Na"	68.967654
"1650709"	208.069288	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Na+HCOOH"	68.994688
"158301"	355.06824	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+2K-H"	76.91904
"597499"	494.14284	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+2K-H"	76.91904
"1091128"	215.99364	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2K-H"	76.91904
"145759"	178.037758	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"2M+2K"	77.926316
"592245"	247.575058	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"3M+2K"	77.926316
"1068982"	108.500458	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2K"	77.926316
"1100127"	218.008192	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2K+H"	78.933592
"1337243"	218.095807	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+DMSO+H"	79.021207
"1013427"	222.134976	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2ACN+H"	83.060376
"1527178"	223.128608	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+IsoProp+Na+H"	84.054008
"999094"	111.571126	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+2ACN+2H"	84.067652
"1594692"	224.043228	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+K+HCOOH"	84.968628
"1422539"	254.074738	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+H+CF3COOH"	115.000138
"1147723"	132.084401	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+3ACN+2H"	125.094202
"1699098"	271.101285	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+NH4+CF3COOH"	132.026685
"1646780"	276.05668	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+Na+CF3COOH"	136.98208
"1578057"	292.03062	"C01279"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine;Toxopyrimidine;4-Amino-2-methyl-5-pyrimidinemethanol"	"C6H9N3O"	"139.0746"	"M+K+CF3COOH"	152.95602
"816929"	743.214	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M"	0
"989491"	724.19561	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-H2O-H"	-19.01839
"75667"	494.468724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M-3H"	-3.021828
"507573"	742.206724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M-3H"	-3.021828
"889752"	246.730724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-3H"	-3.021828
"7233"	742.206724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H"	-2.014552
"454821"	1113.813724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H"	-2.014552
"832351"	370.599724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-2H"	-2.014552
"93352"	1485.420724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M-H"	-1.007276
"533274"	2228.634724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M-H"	-1.007276
"911001"	742.206724	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-H"	-1.007276
"61685"	1502.447271	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H+NH4"	16.019271
"501126"	2245.661271	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H+NH4"	16.019271
"877469"	759.233271	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-2H+NH4"	16.019271
"45128"	1507.402666	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H+Na"	20.974666
"484444"	2250.616666	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H+Na"	20.974666
"861881"	764.188666	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-2H+Na"	20.974666
"1631414"	764.188666	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Na-2H"	20.974666
"107211"	760.195063	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M-H+Cl"	33.962126
"547138"	1131.802063	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M-H+Cl"	33.962126
"939194"	388.588063	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-H+Cl"	33.962126
"281399"	1521.397402	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+Cl"	34.969402
"673942"	2264.611402	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+Cl"	34.969402
"1282576"	778.183402	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl"	34.969402
"26227"	1523.376606	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H+K"	36.948606
"460321"	2266.590606	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H+K"	36.948606
"839216"	780.162606	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-2H+K"	36.948606
"1561610"	780.162606	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+K-2H"	36.948606
"951681"	788.212194	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-H+HCOOH"	44.998194
"368802"	1531.426201	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+HCOOH-H"	44.998201
"358157"	1545.441851	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+Hac-H"	59.013851
"1503714"	802.227851	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Hac-H"	59.013851
"964694"	810.194151	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-H+NaCOOH"	66.980151
"122347"	778.183402	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+2Cl"	69.938804
"563000"	1149.790402	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+2Cl"	69.938804
"1036173"	406.576402	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2Cl"	69.938804
"1255877"	822.132885	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Br"	78.918885
"1318202"	824.188872	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl+HCOOH"	80.974872
"1332420"	846.170829	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl+NaCOOH"	102.956829
"924570"	856.199586	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M-H+CF3COOH"	112.985586
"1300186"	892.176264	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl+CF3COOH"	148.962264
"1372877"	708.201324	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H-2H2O"	-35.012676
"1397672"	726.2113	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H-H2O"	-17.0027
"297358"	1487.435276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+H"	1.007276
"689050"	2230.649276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+H"	1.007276
"1361023"	744.221276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H"	1.007276
"133911"	744.221276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+2H"	2.014552
"579309"	1115.828276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+2H"	2.014552
"1048838"	372.614276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2H"	2.014552
"215282"	496.483276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+3H"	3.021828
"655937"	744.221276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+3H"	3.021828
"1174425"	248.745276	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+3H"	3.021828
"436603"	1504.461823	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+NH4"	18.033823
"796505"	2247.675823	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+NH4"	18.033823
"1691746"	761.247823	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+NH4"	18.033823
"341114"	752.7345495	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+H+NH4"	19.041099
"734630"	1124.3415495	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+H+NH4"	19.041099
"1488454"	381.1275495	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H+NH4"	19.041099
"395108"	1509.417218	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+Na"	22.989218
"757195"	2252.631218	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+Na"	22.989218
"1605293"	766.203218	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Na"	22.989218
"318611"	755.212247	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+H+Na"	23.996494
"715407"	1126.819247	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+H+Na"	23.996494
"1472143"	383.605247	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H+Na"	23.996494
"1059194"	256.07259	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2H+Na"	25.00377
"1264152"	776.247486	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+CH3OH+H"	33.033486
"387099"	1525.391158	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+K"	38.963158
"743720"	2268.605158	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+K"	38.963158
"1542490"	782.177158	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+K"	38.963158
"300759"	763.199217	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+H+K"	39.970434
"693905"	1134.806217	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+H+K"	39.970434
"1454658"	391.592217	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H+K"	39.970434
"249100"	1528.461826	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+ACN+H"	42.033826
"1219254"	785.247826	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+ACN+H"	42.033826
"1200953"	393.127551	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+ACN+2H"	43.041102
"197106"	1531.39916	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+2Na-H"	44.97116
"636666"	2274.61316	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+2Na-H"	44.97116
"1142361"	788.18516	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2Na-H"	44.97116
"183464"	766.203218	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+2Na"	45.978436
"617920"	1137.810218	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+2Na"	45.978436
"1127623"	394.596218	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2Na"	45.978436
"1412606"	263.399904	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H+2Na"	46.985712
"1441073"	790.226746	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H+HCOOH"	47.012746
"229676"	771.23624	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+3H2O+2H"	56.04448
"1516644"	804.27879	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+IsoProp+H"	61.06479
"415600"	774.190188	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+Na+K"	61.952376
"774043"	1145.797188	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+Na+K"	61.952376
"1671469"	402.583188	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Na+K"	61.952376
"251789"	1550.443768	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+ACN+Na"	64.015768
"1229969"	807.229768	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+ACN+Na"	64.015768
"1714480"	807.253293	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+NH4+HCOOH"	64.039293
"1180199"	270.727218	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+3Na"	68.967654
"1650255"	812.208688	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Na+HCOOH"	68.994688
"158411"	1563.34704	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+2K-H"	76.91904
"602350"	2306.56104	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+2K-H"	76.91904
"1094157"	820.13304	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2K-H"	76.91904
"151339"	782.177158	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"2M+2K"	77.926316
"589805"	1153.784158	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"3M+2K"	77.926316
"1072136"	410.570158	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2K"	77.926316
"1102062"	822.147592	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2K+H"	78.933592
"1337355"	822.235207	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+DMSO+H"	79.021207
"1010260"	826.274376	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2ACN+H"	83.060376
"1536039"	827.268008	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+IsoProp+Na+H"	84.054008
"1001393"	413.640826	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+2ACN+2H"	84.067652
"1599180"	828.182628	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+K+HCOOH"	84.968628
"1427025"	858.214138	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+H+CF3COOH"	115.000138
"1161565"	434.154101	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+3ACN+2H"	125.094202
"1706863"	875.240685	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+NH4+CF3COOH"	132.026685
"1643609"	880.19608	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+Na+CF3COOH"	136.98208
"1578167"	896.17002	"C01280"	"Dihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O18P2"	"743.214"	"M+K+CF3COOH"	152.95602
"811814"	259.0457	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M"	0
"985348"	240.02731	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-H2O-H"	-19.01839
"65937"	171.689857333333	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M-3H"	-3.021828
"518141"	258.038424	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M-3H"	-3.021828
"895294"	85.3412906666667	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-3H"	-3.021828
"15376"	258.038424	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H"	-2.014552
"454815"	387.561274	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H"	-2.014552
"832498"	128.515574	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H"	-2.014552
"93464"	517.084124	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H"	-1.007276
"531923"	776.129824	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H"	-1.007276
"909970"	258.038424	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-H"	-1.007276
"57542"	534.110671	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+NH4"	16.019271
"496005"	793.156371	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+NH4"	16.019271
"871618"	275.064971	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+NH4"	16.019271
"44627"	539.066066	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+Na"	20.974666
"484186"	798.111766	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+Na"	20.974666
"860899"	280.020366	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+Na"	20.974666
"1631160"	280.020366	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na-2H"	20.974666
"100762"	276.026763	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H+Cl"	33.962126
"544700"	405.549613	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H+Cl"	33.962126
"936029"	146.503913	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+Cl"	33.962126
"274585"	553.060802	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Cl"	34.969402
"669191"	812.106502	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Cl"	34.969402
"1281597"	294.015102	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl"	34.969402
"25247"	555.040006	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+K"	36.948606
"466992"	814.085706	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+K"	36.948606
"842608"	295.994306	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+K"	36.948606
"1567191"	295.994306	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+K-2H"	36.948606
"950699"	304.043894	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+HCOOH"	44.998194
"370014"	563.089601	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+HCOOH-H"	44.998201
"353897"	577.105251	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Hac-H"	59.013851
"1503823"	318.059551	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Hac-H"	59.013851
"970999"	326.025851	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+NaCOOH"	66.980151
"124646"	294.015102	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Cl"	69.938804
"564570"	423.537952	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Cl"	69.938804
"1033005"	164.492252	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Cl"	69.938804
"1253678"	337.964585	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Br"	78.918885
"1317221"	340.020572	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+HCOOH"	80.974872
"1330344"	362.002529	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+NaCOOH"	102.956829
"924682"	372.031286	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+CF3COOH"	112.985586
"1303948"	408.007964	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+CF3COOH"	148.962264
"1377370"	224.033024	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-2H2O"	-35.012676
"1389400"	242.043	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-H2O"	-17.0027
"296377"	519.098676	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H"	1.007276
"686974"	778.144376	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H"	1.007276
"1362228"	260.052976	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H"	1.007276
"138404"	260.052976	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2H"	2.014552
"572495"	389.575826	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2H"	2.014552
"1046762"	130.530126	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H"	2.014552
"215756"	173.704409333333	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H"	3.021828
"656410"	260.052976	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+3H"	3.021828
"1174535"	87.3558426666667	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+3H"	3.021828
"436351"	536.125223	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+NH4"	18.033823
"795525"	795.170923	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+NH4"	18.033823
"1690762"	277.079523	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4"	18.033823
"336855"	268.5662495	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+NH4"	19.041099
"729277"	398.0890995	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+NH4"	19.041099
"1482002"	139.0433995	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+NH4"	19.041099
"398494"	541.080618	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na"	22.989218
"756211"	800.126318	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na"	22.989218
"1605405"	282.034918	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na"	22.989218
"318722"	271.043947	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+Na"	23.996494
"713330"	400.566797	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+Na"	23.996494
"1467151"	141.521097	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+Na"	23.996494
"1061490"	94.6831566666667	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H+Na"	25.00377
"1266815"	292.079186	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+CH3OH+H"	33.033486
"382837"	557.054558	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+K"	38.963158
"747112"	816.100258	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+K"	38.963158
"1548071"	298.008858	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+K"	38.963158
"305245"	279.030917	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+K"	39.970434
"705327"	408.553767	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+K"	39.970434
"1456237"	149.508067	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+K"	39.970434
"240097"	560.125226	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+H"	42.033826
"1219369"	301.079526	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+H"	42.033826
"1203253"	151.043401	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+2H"	43.041102
"196121"	563.06256	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na-H"	44.97116
"640057"	822.10826	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na-H"	44.97116
"1138095"	304.01686	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na-H"	44.97116
"182479"	282.034918	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na"	45.978436
"617666"	411.557768	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na"	45.978436
"1126638"	152.512068	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na"	45.978436
"1411620"	102.010470666667	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+2Na"	46.985712
"1444714"	306.058446	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+HCOOH"	47.012746
"234899"	287.06794	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H2O+2H"	56.04448
"1522957"	320.11049	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+H"	61.06479
"421667"	290.021888	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na+K"	61.952376
"784243"	419.544738	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na+K"	61.952376
"1671579"	160.499038	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+K"	61.952376
"257372"	582.107168	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+Na"	64.015768
"1228623"	323.061468	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+Na"	64.015768
"1712771"	323.084993	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+HCOOH"	64.039293
"1179948"	109.337784666667	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+3Na"	68.967654
"1649968"	328.040388	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+HCOOH"	68.994688
"166185"	595.01044	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K-H"	76.91904
"604654"	854.05614	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K-H"	76.91904
"1092448"	335.96474	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K-H"	76.91904
"141521"	298.008858	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K"	77.926316
"582264"	427.531708	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K"	77.926316
"1069205"	168.486008	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K"	77.926316
"1101200"	337.979292	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K+H"	78.933592
"1339653"	338.066907	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+DMSO+H"	79.021207
"1011464"	342.106076	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+H"	83.060376
"1537243"	343.099708	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+Na+H"	84.054008
"998226"	171.556676	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+2H"	84.067652
"1598197"	344.014328	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+HCOOH"	84.968628
"1426042"	374.045838	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+CF3COOH"	115.000138
"1162573"	192.069951	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+3ACN+2H"	125.094202
"1706975"	391.072385	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+CF3COOH"	132.026685
"1647001"	396.02778	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+CF3COOH"	136.98208
"1578278"	412.00172	"C01283"	"1-Amino-1-deoxy-scyllo-inositol 4-phosphate;scyllo-Inosamine 4-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+CF3COOH"	152.95602
"805363"	579.895	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M"	0
"985458"	560.87661	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H2O-H"	-19.01839
"66047"	385.589390666667	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-3H"	-3.021828
"503780"	578.887724	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-3H"	-3.021828
"895204"	192.291057333333	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-3H"	-3.021828
"15597"	578.887724	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H"	-2.014552
"455626"	868.835224	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H"	-2.014552
"832773"	288.940224	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H"	-2.014552
"94105"	1158.782724	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H"	-1.007276
"534238"	1738.677724	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H"	-1.007276
"910932"	578.887724	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H"	-1.007276
"61907"	1175.809271	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+NH4"	16.019271
"501828"	1755.704271	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+NH4"	16.019271
"875011"	595.914271	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+NH4"	16.019271
"46766"	1180.764666	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+Na"	20.974666
"486485"	1760.659666	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+Na"	20.974666
"861738"	600.869666	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+Na"	20.974666
"1633094"	600.869666	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na-2H"	20.974666
"106343"	596.876063	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H+Cl"	33.962126
"545903"	886.823563	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H+Cl"	33.962126
"939054"	306.928563	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+Cl"	33.962126
"275791"	1194.759402	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Cl"	34.969402
"669301"	1774.654402	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Cl"	34.969402
"1284623"	614.864402	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl"	34.969402
"28274"	1196.738606	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+K"	36.948606
"463822"	1776.633606	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+K"	36.948606
"841624"	616.843606	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+K"	36.948606
"1568394"	616.843606	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K-2H"	36.948606
"951902"	624.893194	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+HCOOH"	44.998194
"373770"	1204.788201	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+HCOOH-H"	44.998201
"351821"	1218.803851	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Hac-H"	59.013851
"1503933"	638.908851	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Hac-H"	59.013851
"970380"	646.875151	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+NaCOOH"	66.980151
"121476"	614.864402	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Cl"	69.938804
"565048"	904.811902	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Cl"	69.938804
"1036520"	324.916902	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Cl"	69.938804
"1256583"	658.813885	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Br"	78.918885
"1317330"	660.869872	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+HCOOH"	80.974872
"1333734"	682.851829	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+NaCOOH"	102.956829
"926250"	692.880586	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+CF3COOH"	112.985586
"1298220"	728.857264	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+CF3COOH"	148.962264
"1379666"	544.882324	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-2H2O"	-35.012676
"1394611"	562.8923	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-H2O"	-17.0027
"295758"	1160.797276	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H"	1.007276
"688178"	1740.692276	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H"	1.007276
"1363432"	580.902276	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H"	1.007276
"139243"	580.902276	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2H"	2.014552
"567138"	870.849776	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2H"	2.014552
"1041404"	290.954776	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H"	2.014552
"212585"	387.603942666667	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H"	3.021828
"652146"	580.902276	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+3H"	3.021828
"1168447"	194.305609333333	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3H"	3.021828
"434637"	1177.823823	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+NH4"	18.033823
"792354"	1757.718823	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+NH4"	18.033823
"1689778"	597.928823	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4"	18.033823
"338055"	589.4155495	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+NH4"	19.041099
"728292"	879.3630495	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+NH4"	19.041099
"1481384"	299.4680495	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+NH4"	19.041099
"396417"	1182.779218	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na"	22.989218
"756685"	1762.674218	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na"	22.989218
"1606608"	602.884218	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na"	22.989218
"318831"	591.893247	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+Na"	23.996494
"716720"	881.840747	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+Na"	23.996494
"1470540"	301.945747	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+Na"	23.996494
"1061600"	201.632923333333	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H+Na"	25.00377
"1266559"	612.928486	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+CH3OH+H"	33.033486
"388050"	1198.753158	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+K"	38.963158
"749045"	1778.648158	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+K"	38.963158
"1548181"	618.858158	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K"	38.963158
"304626"	599.880217	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+K"	39.970434
"706615"	889.827717	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+K"	39.970434
"1459992"	309.932717	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+K"	39.970434
"241300"	1201.823826	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+H"	42.033826
"1217292"	621.928826	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+H"	42.033826
"1203363"	311.468051	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+2H"	43.041102
"197324"	1204.76116	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na-H"	44.97116
"637981"	1784.65616	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na-H"	44.97116
"1145499"	624.86616	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na-H"	44.97116
"183684"	602.884218	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na"	45.978436
"624338"	892.831718	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na"	45.978436
"1129909"	312.936718	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na"	45.978436
"1410272"	208.960237333333	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+2Na"	46.985712
"1444946"	626.907746	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+HCOOH"	47.012746
"235127"	607.91724	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H2O+2H"	56.04448
"1523880"	640.95979	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+H"	61.06479
"418739"	610.871188	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na+K"	61.952376
"784474"	900.818688	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na+K"	61.952376
"1672782"	320.923688	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+K"	61.952376
"257482"	1223.805768	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+Na"	64.015768
"1230920"	643.910768	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+Na"	64.015768
"1713726"	643.934293	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+HCOOH"	64.039293
"1179694"	216.287551333333	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3Na"	68.967654
"1650187"	648.889688	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+HCOOH"	68.994688
"159732"	1236.70904	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K-H"	76.91904
"604764"	1816.60404	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K-H"	76.91904
"1093652"	656.81404	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K-H"	76.91904
"143906"	618.858158	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K"	77.926316
"581879"	908.805658	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K"	77.926316
"1068948"	328.910658	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K"	77.926316
"1100576"	658.828592	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K+H"	78.933592
"1336969"	658.916207	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+DMSO+H"	79.021207
"1007200"	662.955376	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+H"	83.060376
"1532982"	663.949008	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+Na+H"	84.054008
"999431"	331.981326	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+2H"	84.067652
"1597214"	664.863628	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+HCOOH"	84.968628
"1422871"	694.895138	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+CF3COOH"	115.000138
"1153159"	352.494601	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3ACN+2H"	125.094202
"1704898"	711.921685	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+CF3COOH"	132.026685
"1647111"	716.87708	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+CF3COOH"	136.98208
"1578388"	732.85102	"C01284"	"1D-myo-Inositol 13456-pentakisphosphate;D-myo-Inositol 13456-pentakisphosphate;Inositol 13456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+CF3COOH"	152.95602
"805473"	319.0167	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M"	0
"985568"	299.99831	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-H2O-H"	-19.01839
"67250"	211.670524	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M-3H"	-3.021828
"505714"	318.009424	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M-3H"	-3.021828
"894947"	105.331624	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-3H"	-3.021828
"10844"	318.009424	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M-2H"	-2.014552
"454669"	477.517774	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M-2H"	-2.014552
"832522"	158.501074	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-2H"	-2.014552
"94132"	637.026124	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M-H"	-1.007276
"533853"	956.042824	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M-H"	-1.007276
"910883"	318.009424	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-H"	-1.007276
"55575"	654.052671	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M-2H+NH4"	16.019271
"500478"	973.069371	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M-2H+NH4"	16.019271
"874029"	335.035971	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-2H+NH4"	16.019271
"43022"	659.008066	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M-2H+Na"	20.974666
"486231"	978.024766	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M-2H+Na"	20.974666
"862574"	339.991366	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-2H+Na"	20.974666
"1633202"	339.991366	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Na-2H"	20.974666
"109410"	335.997763	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M-H+Cl"	33.962126
"547107"	495.506113	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M-H+Cl"	33.962126
"938434"	176.489413	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-H+Cl"	33.962126
"278087"	673.002802	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+Cl"	34.969402
"666131"	992.019502	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+Cl"	34.969402
"1282912"	353.986102	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Cl"	34.969402
"25469"	674.982006	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M-2H+K"	36.948606
"460652"	993.998706	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M-2H+K"	36.948606
"841734"	355.965306	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-2H+K"	36.948606
"1567409"	355.965306	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+K-2H"	36.948606
"950918"	364.014894	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-H+HCOOH"	44.998194
"370231"	683.031601	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+HCOOH-H"	44.998201
"354115"	697.047251	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+Hac-H"	59.013851
"1505135"	378.030551	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Hac-H"	59.013851
"972922"	385.996851	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-H+NaCOOH"	66.980151
"120491"	353.986102	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+2Cl"	69.938804
"565635"	513.494452	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+2Cl"	69.938804
"1033225"	194.477752	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2Cl"	69.938804
"1256653"	397.935585	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Br"	78.918885
"1317440"	399.991572	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Cl+HCOOH"	80.974872
"1333842"	421.973529	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Cl+NaCOOH"	102.956829
"924902"	432.002286	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M-H+CF3COOH"	112.985586
"1301609"	467.978964	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Cl+CF3COOH"	148.962264
"1380865"	284.004024	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H-2H2O"	-35.012676
"1395084"	302.014	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H-H2O"	-17.0027
"295140"	639.040676	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+H"	1.007276
"687195"	958.057376	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+H"	1.007276
"1363542"	320.023976	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H"	1.007276
"137164"	320.023976	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+2H"	2.014552
"568706"	479.532326	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+2H"	2.014552
"1040422"	160.515626	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2H"	2.014552
"213790"	213.685076	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+3H"	3.021828
"653351"	320.023976	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+3H"	3.021828
"1167102"	107.346176	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+3H"	3.021828
"434747"	656.067223	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+NH4"	18.033823
"795744"	975.083923	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+NH4"	18.033823
"1690981"	337.050523	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+NH4"	18.033823
"340352"	328.5372495	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+H+NH4"	19.041099
"727308"	488.0455995	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+H+NH4"	19.041099
"1481130"	169.0288995	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H+NH4"	19.041099
"398714"	661.022618	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+Na"	22.989218
"757159"	980.039318	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+Na"	22.989218
"1609999"	342.005918	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Na"	22.989218
"318941"	331.014947	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+H+Na"	23.996494
"712457"	490.523297	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+H+Na"	23.996494
"1466278"	171.506597	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H+Na"	23.996494
"1061710"	114.67349	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2H+Na"	25.00377
"1264482"	352.050186	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+CH3OH+H"	33.033486
"388890"	676.996558	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+K"	38.963158
"747332"	996.013258	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+K"	38.963158
"1547197"	357.979858	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+K"	38.963158
"305465"	339.001917	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+H+K"	39.970434
"706400"	498.510267	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+H+K"	39.970434
"1457914"	179.493567	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H+K"	39.970434
"244690"	680.067226	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+ACN+H"	42.033826
"1219590"	361.050526	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+ACN+H"	42.033826
"1206753"	181.028901	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+ACN+2H"	43.041102
"203878"	683.00456	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+2Na-H"	44.97116
"640277"	1002.02126	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+2Na-H"	44.97116
"1145730"	363.98786	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2Na-H"	44.97116
"187925"	342.005918	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+2Na"	45.978436
"627727"	501.514268	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+2Na"	45.978436
"1129775"	182.497568	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2Na"	45.978436
"1412934"	122.000804	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H+2Na"	46.985712
"1445339"	366.029446	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H+HCOOH"	47.012746
"234991"	347.03894	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+3H2O+2H"	56.04448
"1524085"	380.08149	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+IsoProp+H"	61.06479
"418849"	349.992888	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+Na+K"	61.952376
"783126"	509.501238	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+Na+K"	61.952376
"1671799"	190.484538	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Na+K"	61.952376
"257956"	702.049168	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+ACN+Na"	64.015768
"1227382"	383.032468	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+ACN+Na"	64.015768
"1715542"	383.055993	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+NH4+HCOOH"	64.039293
"1181627"	129.328118	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+3Na"	68.967654
"1651148"	388.011388	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Na+HCOOH"	68.994688
"160937"	714.95244	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+2K-H"	76.91904
"604874"	1033.96914	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+2K-H"	76.91904
"1093761"	395.93574	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2K-H"	76.91904
"147296"	357.979858	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"2M+2K"	77.926316
"585764"	517.488208	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"3M+2K"	77.926316
"1070640"	198.471508	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2K"	77.926316
"1103488"	397.950292	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2K+H"	78.933592
"1339875"	398.037907	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+DMSO+H"	79.021207
"1009497"	402.077076	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2ACN+H"	83.060376
"1535278"	403.070708	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+IsoProp+Na+H"	84.054008
"999541"	201.542176	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+2ACN+2H"	84.067652
"1597323"	403.985328	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+K+HCOOH"	84.968628
"1424074"	434.016838	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+H+CF3COOH"	115.000138
"1151082"	222.055451	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+3ACN+2H"	125.094202
"1705008"	451.043385	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+NH4+CF3COOH"	132.026685
"1647221"	455.99878	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+Na+CF3COOH"	136.98208
"1578498"	471.97272	"C01285"	"26-Dichlorophenol-4-(14-naphthoquinone imine)"	"C16H11Cl2NO2"	"319.0167"	"M+K+CF3COOH"	152.95602
"808863"	258.0141	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M"	0
"987866"	238.99571	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H2O-H"	-19.01839
"71735"	171.002124	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-3H"	-3.021828
"505096"	257.006824	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-3H"	-3.021828
"895056"	84.997424	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-3H"	-3.021828
"10590"	257.006824	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H"	-2.014552
"453807"	386.013874	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H"	-2.014552
"831485"	127.999774	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H"	-2.014552
"94241"	515.020924	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-H"	-1.007276
"533999"	773.035024	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-H"	-1.007276
"910912"	257.006824	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H"	-1.007276
"60059"	532.047471	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+NH4"	16.019271
"497433"	790.061571	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+NH4"	16.019271
"875233"	274.033371	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+NH4"	16.019271
"42039"	537.002866	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+Na"	20.974666
"484881"	795.016966	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+Na"	20.974666
"861591"	278.988766	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+Na"	20.974666
"1632219"	278.988766	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na-2H"	20.974666
"105471"	274.995163	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-H+Cl"	33.962126
"546123"	404.002213	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-H+Cl"	33.962126
"935264"	145.988113	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+Cl"	33.962126
"279289"	550.997602	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Cl"	34.969402
"666241"	809.011702	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Cl"	34.969402
"1285209"	292.983502	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl"	34.969402
"28859"	552.976806	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+K"	36.948606
"460762"	810.990906	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+K"	36.948606
"841844"	294.962706	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+K"	36.948606
"1567519"	294.962706	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K-2H"	36.948606
"951028"	303.012294	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+HCOOH"	44.998194
"373621"	561.026401	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+HCOOH-H"	44.998201
"356412"	575.042051	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Hac-H"	59.013851
"1504153"	317.027951	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Hac-H"	59.013851
"970601"	324.994251	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+NaCOOH"	66.980151
"117321"	292.983502	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Cl"	69.938804
"564780"	421.990552	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Cl"	69.938804
"1033335"	163.976452	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Cl"	69.938804
"1255830"	336.932985	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Br"	78.918885
"1317186"	338.988972	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+HCOOH"	80.974872
"1331765"	360.970929	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+NaCOOH"	102.956829
"925376"	370.999686	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+CF3COOH"	112.985586
"1298439"	406.976364	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+CF3COOH"	148.962264
"1377695"	223.001424	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H-2H2O"	-35.012676
"1396286"	241.0114	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H-H2O"	-17.0027
"294885"	517.035476	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H"	1.007276
"688398"	775.049576	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H"	1.007276
"1366568"	259.021376	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H"	1.007276
"139095"	259.021376	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2H"	2.014552
"569545"	388.028426	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2H"	2.014552
"1047092"	130.014326	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2H"	2.014552
"213901"	173.016676	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+3H"	3.021828
"654554"	259.021376	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+3H"	3.021828
"1170492"	87.011976	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3H"	3.021828
"434857"	534.062023	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+NH4"	18.033823
"796947"	792.076123	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+NH4"	18.033823
"1691091"	276.047923	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4"	18.033823
"339369"	267.5346495	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+NH4"	19.041099
"729605"	396.5416995	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+NH4"	19.041099
"1482333"	138.5275995	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+NH4"	19.041099
"398826"	539.017418	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Na"	22.989218
"756905"	797.031518	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Na"	22.989218
"1612296"	281.003318	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na"	22.989218
"321238"	270.012347	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+Na"	23.996494
"715848"	399.019397	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+Na"	23.996494
"1470400"	141.005297	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+Na"	23.996494
"1061820"	94.33929	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2H+Na"	25.00377
"1265321"	291.047586	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+CH3OH+H"	33.033486
"387177"	554.991358	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+K"	38.963158
"747078"	813.005458	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+K"	38.963158
"1545120"	296.977258	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K"	38.963158
"305574"	277.999317	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+K"	39.970434
"703104"	407.006367	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+K"	39.970434
"1459482"	148.992267	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+K"	39.970434
"249905"	558.062026	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+ACN+H"	42.033826
"1222980"	300.047926	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+H"	42.033826
"1209050"	150.527601	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+2H"	43.041102
"203951"	560.99936	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Na-H"	44.97116
"642819"	819.01346	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Na-H"	44.97116
"1140614"	302.98526	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Na-H"	44.97116
"187671"	281.003318	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Na"	45.978436
"625651"	410.010368	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Na"	45.978436
"1128062"	151.996268	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Na"	45.978436
"1412316"	101.666604	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+2Na"	46.985712
"1443340"	305.026846	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+HCOOH"	47.012746
"234857"	286.03634	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+3H2O+2H"	56.04448
"1519272"	319.07889	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+IsoProp+H"	61.06479
"415677"	288.990288	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Na+K"	61.952376
"777767"	417.997338	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Na+K"	61.952376
"1670087"	159.983238	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+K"	61.952376
"256244"	580.043968	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+ACN+Na"	64.015768
"1226033"	322.029868	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+Na"	64.015768
"1714559"	322.053393	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4+HCOOH"	64.039293
"1181737"	108.993918	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3Na"	68.967654
"1650530"	327.008788	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+HCOOH"	68.994688
"161047"	592.94724	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2K-H"	76.91904
"608264"	850.96134	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2K-H"	76.91904
"1092779"	334.93314	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K-H"	76.91904
"147406"	296.977258	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2K"	77.926316
"585874"	425.984308	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2K"	77.926316
"1069775"	167.970208	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K"	77.926316
"1104691"	336.947692	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K+H"	78.933592
"1337066"	337.035307	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+DMSO+H"	79.021207
"1009607"	341.074476	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2ACN+H"	83.060376
"1532108"	342.068108	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+IsoProp+Na+H"	84.054008
"997464"	171.040876	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2ACN+2H"	84.067652
"1594153"	342.982728	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K+HCOOH"	84.968628
"1420904"	373.014238	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+CF3COOH"	115.000138
"1154473"	191.554151	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3ACN+2H"	125.094202
"1704026"	390.040785	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4+CF3COOH"	132.026685
"1647331"	394.99618	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+CF3COOH"	136.98208
"1578608"	410.97012	"C01286"	"2-Dehydro-3-deoxy-6-phospho-D-galactonate;2-Dehydro-3-deoxy-D-galactonate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K+CF3COOH"	152.95602
"814441"	1129.7112	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M"	0
"988583"	1110.69281	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-H2O-H"	-19.01839
"77191"	752.133524	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M-3H"	-3.021828
"512499"	1128.703924	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M-3H"	-3.021828
"894682"	375.563124	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-3H"	-3.021828
"13981"	1128.703924	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M-2H"	-2.014552
"455014"	1693.559524	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M-2H"	-2.014552
"831961"	563.848324	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-2H"	-2.014552
"93658"	2258.415124	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M-H"	-1.007276
"532971"	3388.126324	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M-H"	-1.007276
"906887"	1128.703924	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-H"	-1.007276
"60168"	2275.441671	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M-2H+NH4"	16.019271
"499730"	3405.152871	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M-2H+NH4"	16.019271
"875345"	1145.730471	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-2H+NH4"	16.019271
"43244"	2280.397066	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M-2H+Na"	20.974666
"481713"	3410.108266	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M-2H+Na"	20.974666
"862796"	1150.685866	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-2H+Na"	20.974666
"1631966"	1150.685866	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Na-2H"	20.974666
"106673"	1146.692263	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M-H+Cl"	33.962126
"545141"	1711.547863	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M-H+Cl"	33.962126
"935373"	581.836663	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-H+Cl"	33.962126
"280129"	2294.391802	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+Cl"	34.969402
"673643"	3424.103002	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+Cl"	34.969402
"1284226"	1164.680602	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Cl"	34.969402
"27875"	2296.371006	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M-2H+K"	36.948606
"467433"	3426.082206	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M-2H+K"	36.948606
"841954"	1166.659806	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-2H+K"	36.948606
"1565443"	1166.659806	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+K-2H"	36.948606
"950045"	1174.709394	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-H+HCOOH"	44.998194
"370454"	2304.420601	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+HCOOH-H"	44.998201
"355431"	2318.436251	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+Hac-H"	59.013851
"1502076"	1188.725051	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Hac-H"	59.013851
"965243"	1196.691351	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-H+NaCOOH"	66.980151
"120348"	1164.680602	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+2Cl"	69.938804
"565379"	1729.536202	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+2Cl"	69.938804
"1036850"	599.825002	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2Cl"	69.938804
"1256671"	1208.630085	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Br"	78.918885
"1318753"	1210.686072	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Cl+HCOOH"	80.974872
"1334552"	1232.668029	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Cl+NaCOOH"	102.956829
"924757"	1242.696786	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M-H+CF3COOH"	112.985586
"1295272"	1278.673464	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Cl+CF3COOH"	148.962264
"1376712"	1094.698524	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H-2H2O"	-35.012676
"1395303"	1112.7085	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H-H2O"	-17.0027
"291714"	2260.429676	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+H"	1.007276
"688509"	3390.140876	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+H"	1.007276
"1366314"	1130.718476	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H"	1.007276
"131187"	1130.718476	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+2H"	2.014552
"571842"	1695.574076	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+2H"	2.014552
"1047933"	565.862876	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2H"	2.014552
"217292"	754.148076	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+3H"	3.021828
"650291"	1130.718476	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+3H"	3.021828
"1171695"	377.577676	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+3H"	3.021828
"433877"	2277.456223	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+NH4"	18.033823
"795964"	3407.167423	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+NH4"	18.033823
"1690111"	1147.745023	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+NH4"	18.033823
"338388"	1139.2317495	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+H+NH4"	19.041099
"726438"	1704.0873495	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+H+NH4"	19.041099
"1481351"	574.3761495	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H+NH4"	19.041099
"396749"	2282.411618	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+Na"	22.989218
"758839"	3412.122818	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+Na"	22.989218
"1609124"	1152.700418	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Na"	22.989218
"318069"	1141.709447	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+H+Na"	23.996494
"710490"	1706.565047	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+H+Na"	23.996494
"1465404"	576.853847	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H+Na"	23.996494
"1060836"	384.90499	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2H+Na"	25.00377
"1265433"	1162.744686	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+CH3OH+H"	33.033486
"386558"	2298.385558	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+K"	38.963158
"745365"	3428.096758	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+K"	38.963158
"1545228"	1168.674358	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+K"	38.963158
"307876"	1149.696417	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+H+K"	39.970434
"699202"	1714.552017	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+H+K"	39.970434
"1457402"	584.840817	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H+K"	39.970434
"246735"	2301.456226	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+ACN+H"	42.033826
"1222726"	1171.745026	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+ACN+H"	42.033826
"1205881"	586.376151	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+ACN+2H"	43.041102
"201666"	2304.39356	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+2Na-H"	44.97116
"642930"	3434.10476	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+2Na-H"	44.97116
"1142913"	1174.68236	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2Na-H"	44.97116
"184014"	1152.700418	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+2Na"	45.978436
"625036"	1717.556018	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+2Na"	45.978436
"1127448"	587.844818	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2Na"	45.978436
"1408785"	392.232304	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H+2Na"	46.985712
"1442360"	1176.723946	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H+HCOOH"	47.012746
"231689"	1157.73344	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+3H2O+2H"	56.04448
"1518656"	1190.77599	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+IsoProp+H"	61.06479
"415786"	1160.687388	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+Na+K"	61.952376
"774594"	1725.542988	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+Na+K"	61.952376
"1669104"	595.831788	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Na+K"	61.952376
"258543"	2323.438168	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+ACN+Na"	64.015768
"1227606"	1193.726968	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+ACN+Na"	64.015768
"1713211"	1193.750493	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+NH4+HCOOH"	64.039293
"1181847"	399.559618	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+3Na"	68.967654
"1654293"	1198.705888	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Na+HCOOH"	68.994688
"164072"	2336.34144	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+2K-H"	76.91904
"602907"	3466.05264	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+2K-H"	76.91904
"1084865"	1206.63024	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2K-H"	76.91904
"142288"	1168.674358	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"2M+2K"	77.926316
"582459"	1733.529958	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"3M+2K"	77.926316
"1069152"	603.818758	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2K"	77.926316
"1100424"	1208.644792	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2K+H"	78.933592
"1341189"	1208.732407	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+DMSO+H"	79.021207
"1008624"	1212.771576	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2ACN+H"	83.060376
"1530031"	1213.765208	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+IsoProp+Na+H"	84.054008
"994295"	606.889426	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+2ACN+2H"	84.067652
"1589889"	1214.679828	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+K+HCOOH"	84.968628
"1422109"	1244.711338	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+H+CF3COOH"	115.000138
"1154585"	627.402701	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+3ACN+2H"	125.094202
"1706323"	1261.737885	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+NH4+CF3COOH"	132.026685
"1638693"	1266.69328	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+Na+CF3COOH"	136.98208
"1578720"	1282.66722	"C01289"	"N-Acetyl-D-glucosaminyldiphosphoundecaprenol;N-Acetyl-D-glucosaminyldiphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Lipid I"	"C63H105NO12P2"	"1129.7112"	"M+K+CF3COOH"	152.95602
"809085"	961.2095	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M"	0
"986993"	942.19111	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-H2O-H"	-19.01839
"77551"	639.799057333333	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M-3H"	-3.021828
"517355"	960.202224	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M-3H"	-3.021828
"892970"	319.395890666667	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-3H"	-3.021828
"13369"	960.202224	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M-2H"	-2.014552
"454033"	1440.806974	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M-2H"	-2.014552
"831223"	479.597474	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-2H"	-2.014552
"90727"	1921.411724	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M-H"	-1.007276
"529198"	2882.621224	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M-H"	-1.007276
"904810"	960.202224	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-H"	-1.007276
"56999"	1938.438271	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M-2H+NH4"	16.019271
"494372"	2899.647771	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M-2H+NH4"	16.019271
"877157"	977.228771	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-2H+NH4"	16.019271
"41168"	1943.393666	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M-2H+Na"	20.974666
"484740"	2904.603166	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M-2H+Na"	20.974666
"863638"	982.184166	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-2H+Na"	20.974666
"1633170"	982.184166	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Na-2H"	20.974666
"109340"	978.190563	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M-H+Cl"	33.962126
"549384"	1458.795313	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M-H+Cl"	33.962126
"940709"	497.585813	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-H+Cl"	33.962126
"281087"	1957.388402	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+Cl"	34.969402
"669741"	2918.597902	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+Cl"	34.969402
"1285430"	996.178902	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Cl"	34.969402
"26889"	1959.367606	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M-2H+K"	36.948606
"467543"	2920.577106	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M-2H+K"	36.948606
"844252"	998.158106	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-2H+K"	36.948606
"1567740"	998.158106	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+K-2H"	36.948606
"956724"	1006.207694	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-H+HCOOH"	44.998194
"371295"	1967.417201	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+HCOOH-H"	44.998201
"351168"	1981.432851	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+Hac-H"	59.013851
"1506198"	1020.223351	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Hac-H"	59.013851
"968270"	1028.189651	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-H+NaCOOH"	66.980151
"122645"	996.178902	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+2Cl"	69.938804
"565247"	1476.783652	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+2Cl"	69.938804
"1036759"	515.574152	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2Cl"	69.938804
"1256620"	1040.128385	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Br"	78.918885
"1318500"	1042.184372	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Cl+HCOOH"	80.974872
"1333813"	1064.166329	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Cl+NaCOOH"	102.956829
"925358"	1074.195086	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M-H+CF3COOH"	112.985586
"1300849"	1110.171764	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Cl+CF3COOH"	148.962264
"1379376"	926.196824	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H-2H2O"	-35.012676
"1395781"	944.2068	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H-H2O"	-17.0027
"294377"	1923.426276	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+H"	1.007276
"688621"	2884.635776	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+H"	1.007276
"1356224"	962.216776	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H"	1.007276
"136766"	962.216776	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+2H"	2.014552
"575234"	1442.821526	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+2H"	2.014552
"1049136"	481.612026	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2H"	2.014552
"217401"	641.813609333333	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+3H"	3.021828
"654775"	962.216776	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+3H"	3.021828
"1175087"	321.410442666667	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+3H"	3.021828
"438360"	1940.452823	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+NH4"	18.033823
"798263"	2901.662323	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+NH4"	18.033823
"1692407"	979.243323	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+NH4"	18.033823
"338498"	970.7300495	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+H+NH4"	19.041099
"726548"	1451.3347995	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+H+NH4"	19.041099
"1484744"	490.1252995	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H+NH4"	19.041099
"401236"	1945.408218	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+Na"	22.989218
"763324"	2906.617718	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+Na"	22.989218
"1607048"	984.198718	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Na"	22.989218
"319272"	973.207747	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+H+Na"	23.996494
"712788"	1453.812497	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+H+Na"	23.996494
"1470254"	492.602997	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H+Na"	23.996494
"1064229"	328.737756666667	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2H+Na"	25.00377
"1269188"	994.242986	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+CH3OH+H"	33.033486
"388490"	1961.382158	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+K"	38.963158
"745475"	2922.591658	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+K"	38.963158
"1554093"	1000.172658	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+K"	38.963158
"311999"	981.194717	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+H+K"	39.970434
"700048"	1461.799467	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+H+K"	39.970434
"1459946"	500.589967	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H+K"	39.970434
"250371"	1964.452826	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+ACN+H"	42.033826
"1225271"	1003.243326	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+ACN+H"	42.033826
"1207450"	502.125301	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+ACN+2H"	43.041102
"203933"	1967.39016	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+2Na-H"	44.97116
"643855"	2928.59966	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+2Na-H"	44.97116
"1144119"	1006.18066	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2Na-H"	44.97116
"186681"	984.198718	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+2Na"	45.978436
"624418"	1464.803468	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+2Na"	45.978436
"1128288"	503.593968	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2Na"	45.978436
"1411813"	336.065070666667	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H+2Na"	46.985712
"1444901"	1008.222246	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H+HCOOH"	47.012746
"233988"	989.23174	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+3H2O+2H"	56.04448
"1518767"	1022.27429	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+IsoProp+H"	61.06479
"413711"	992.185688	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+Na+K"	61.952376
"781271"	1472.790438	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+Na+K"	61.952376
"1674320"	511.580938	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Na+K"	61.952376
"259017"	1986.434768	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+ACN+Na"	64.015768
"1228809"	1025.225268	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+ACN+Na"	64.015768
"1714171"	1025.248793	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+NH4+HCOOH"	64.039293
"1187066"	343.392384666667	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+3Na"	68.967654
"1655497"	1030.204188	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Na+HCOOH"	68.994688
"165279"	1999.33804	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+2K-H"	76.91904
"605203"	2960.54754	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+2K-H"	76.91904
"1087529"	1038.12854	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2K-H"	76.91904
"147262"	1000.172658	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"2M+2K"	77.926316
"582690"	1480.777408	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"3M+2K"	77.926316
"1071703"	519.567908	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2K"	77.926316
"1102725"	1040.143092	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2K+H"	78.933592
"1336559"	1040.230707	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+DMSO+H"	79.021207
"1009827"	1044.269876	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2ACN+H"	83.060376
"1525768"	1045.263508	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+IsoProp+Na+H"	84.054008
"992216"	522.638576	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+2ACN+2H"	84.067652
"1593281"	1046.178128	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+K+HCOOH"	84.968628
"1421126"	1076.209638	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+H+CF3COOH"	115.000138
"1149590"	543.151851	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+3ACN+2H"	125.094202
"1702058"	1093.236185	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+NH4+CF3COOH"	132.026685
"1634797"	1098.19158	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+Na+CF3COOH"	136.98208
"1578831"	1114.16552	"C01291"	"3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;Isohexenyl-glutaconyl-CoA"	"C32H50N7O19P3S"	"961.2095"	"M+K+CF3COOH"	152.95602
"802634"	406.2719	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M"	0
"982728"	387.25351	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H2O-H"	-19.01839
"76441"	269.840657333333	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-3H"	-3.021828
"504335"	405.264624	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-3H"	-3.021828
"890522"	134.416690666667	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-3H"	-3.021828
"14206"	405.264624	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H"	-2.014552
"451944"	608.400574	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H"	-2.014552
"832549"	202.128674	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H"	-2.014552
"87556"	811.536524	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-H"	-1.007276
"530400"	1217.808424	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-H"	-1.007276
"903826"	405.264624	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H"	-1.007276
"53823"	828.563071	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H+NH4"	16.019271
"493748"	1234.834971	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H+NH4"	16.019271
"874471"	422.291171	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H+NH4"	16.019271
"37998"	833.518466	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H+Na"	20.974666
"483025"	1239.790366	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H+Na"	20.974666
"859736"	427.246566	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H+Na"	20.974666
"1633160"	427.246566	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na-2H"	20.974666
"108475"	423.252963	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-H+Cl"	33.962126
"546454"	626.388913	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-H+Cl"	33.962126
"938873"	220.117013	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+Cl"	33.962126
"282048"	847.513202	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Cl"	34.969402
"666570"	1253.785102	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+Cl"	34.969402
"1283349"	441.241302	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl"	34.969402
"23718"	849.492406	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H+K"	36.948606
"466560"	1255.764306	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H+K"	36.948606
"841080"	443.220506	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H+K"	36.948606
"1567850"	443.220506	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K-2H"	36.948606
"955738"	451.270094	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+HCOOH"	44.998194
"369581"	857.542001	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+HCOOH-H"	44.998201
"356744"	871.557651	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Hac-H"	59.013851
"1504485"	465.285751	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Hac-H"	59.013851
"972756"	473.252051	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+NaCOOH"	66.980151
"124824"	441.241302	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2Cl"	69.938804
"563412"	644.377252	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2Cl"	69.938804
"1034761"	238.105352	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2Cl"	69.938804
"1255069"	485.190785	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Br"	78.918885
"1316788"	487.246772	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl+HCOOH"	80.974872
"1333800"	509.228729	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl+NaCOOH"	102.956829
"922061"	519.257486	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+CF3COOH"	112.985586
"1296581"	555.234164	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl+CF3COOH"	148.962264
"1373647"	371.259224	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H-2H2O"	-35.012676
"1396254"	389.2692	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H-H2O"	-17.0027
"295210"	813.551076	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H"	1.007276
"689460"	1219.822976	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H"	1.007276
"1363259"	407.279176	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H"	1.007276
"137241"	407.279176	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2H"	2.014552
"578991"	610.415126	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2H"	2.014552
"1050343"	204.143226	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2H"	2.014552
"218243"	271.855209333333	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+3H"	3.021828
"655978"	407.279176	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+3H"	3.021828
"1175198"	136.431242666667	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+3H"	3.021828
"439810"	830.577623	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+NH4"	18.033823
"799466"	1236.849523	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+NH4"	18.033823
"1694341"	424.305723	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+NH4"	18.033823
"338610"	415.7924495	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H+NH4"	19.041099
"729938"	618.9283995	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H+NH4"	19.041099
"1485947"	212.6564995	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+NH4"	19.041099
"402440"	835.533018	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Na"	22.989218
"764529"	1241.804918	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+Na"	22.989218
"1610439"	429.261118	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na"	22.989218
"321570"	418.270147	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H+Na"	23.996494
"716178"	621.406097	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H+Na"	23.996494
"1472915"	215.134197	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+Na"	23.996494
"1066890"	143.758556666667	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2H+Na"	25.00377
"1270755"	439.305386	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+CH3OH+H"	33.033486
"386777"	851.506958	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+K"	38.963158
"746678"	1257.778858	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+K"	38.963158
"1555303"	445.235058	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K"	38.963158
"312839"	426.257117	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H+K"	39.970434
"698336"	629.393067	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H+K"	39.970434
"1458354"	223.121167	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+K"	39.970434
"246955"	854.577626	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+ACN+H"	42.033826
"1225138"	448.305726	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+ACN+H"	42.033826
"1208897"	224.656501	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+ACN+2H"	43.041102
"202499"	857.51496	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2Na-H"	44.97116
"643274"	1263.78686	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2Na-H"	44.97116
"1143863"	451.24306	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2Na-H"	44.97116
"187158"	429.261118	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2Na"	45.978436
"625257"	632.397068	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2Na"	45.978436
"1129859"	226.125168	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2Na"	45.978436
"1411559"	151.085870666667	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+2Na"	46.985712
"1443309"	453.284646	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+HCOOH"	47.012746
"234950"	434.29414	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+3H2O+2H"	56.04448
"1518510"	467.33669	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+IsoProp+H"	61.06479
"416007"	437.248088	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Na+K"	61.952376
"782841"	640.384038	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+Na+K"	61.952376
"1679173"	234.112138	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na+K"	61.952376
"262774"	876.559568	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+ACN+Na"	64.015768
"1235845"	470.287668	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+ACN+Na"	64.015768
"1716712"	470.311193	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+NH4+HCOOH"	64.039293
"1191550"	158.413184666667	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+3Na"	68.967654
"1655607"	475.266588	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na+HCOOH"	68.994688
"166482"	889.46284	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2K-H"	76.91904
"607501"	1295.73474	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2K-H"	76.91904
"1089827"	483.19094	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2K-H"	76.91904
"143364"	445.235058	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2K"	77.926316
"584019"	648.371008	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2K"	77.926316
"1071813"	242.099108	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2K"	77.926316
"1101376"	485.205492	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2K+H"	78.933592
"1338491"	485.293107	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+DMSO+H"	79.021207
"1008480"	489.332276	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2ACN+H"	83.060376
"1526971"	490.325908	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+IsoProp+Na+H"	84.054008
"993419"	245.169776	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2ACN+2H"	84.067652
"1592296"	491.240528	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K+HCOOH"	84.968628
"1420142"	521.272038	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+CF3COOH"	115.000138
"1147265"	265.683051	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+3ACN+2H"	125.094202
"1697306"	538.298585	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+NH4+CF3COOH"	132.026685
"1634947"	543.25398	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na+CF3COOH"	136.98208
"1578941"	559.22792	"C01292"	"3alpha7alpha-Dihydroxy-12-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K+CF3COOH"	152.95602
"801650"	301.0675	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M"	0
"982841"	282.04911	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-H2O-H"	-19.01839
"68897"	199.704390666667	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M-3H"	-3.021828
"503107"	300.060224	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M-3H"	-3.021828
"890633"	99.3485573333333	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-3H"	-3.021828
"4839"	300.060224	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M-2H"	-2.014552
"445493"	450.593974	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M-2H"	-2.014552
"826583"	149.526474	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-2H"	-2.014552
"85482"	601.127724	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M-H"	-1.007276
"523948"	902.195224	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M-H"	-1.007276
"901745"	300.060224	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-H"	-1.007276
"53934"	618.154271	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M-2H+NH4"	16.019271
"495685"	919.221771	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M-2H+NH4"	16.019271
"871301"	317.086771	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-2H+NH4"	16.019271
"37014"	623.109666	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M-2H+Na"	20.974666
"479854"	924.177166	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M-2H+Na"	20.974666
"857659"	322.042166	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-2H+Na"	20.974666
"1630476"	322.042166	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Na-2H"	20.974666
"108097"	318.048563	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M-H+Cl"	33.962126
"547656"	468.582313	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M-H+Cl"	33.962126
"937889"	167.514813	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-H+Cl"	33.962126
"281552"	637.104402	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+Cl"	34.969402
"672153"	938.171902	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+Cl"	34.969402
"1280179"	336.036902	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Cl"	34.969402
"23828"	639.083606	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M-2H+K"	36.948606
"463390"	940.151106	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M-2H+K"	36.948606
"843381"	338.016106	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-2H+K"	36.948606
"1564685"	338.016106	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+K-2H"	36.948606
"953662"	346.065694	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-H+HCOOH"	44.998194
"369689"	647.133201	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+HCOOH-H"	44.998201
"354666"	661.148851	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+Hac-H"	59.013851
"1501311"	360.081351	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Hac-H"	59.013851
"973110"	368.047651	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-H+NaCOOH"	66.980151
"123599"	336.036902	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+2Cl"	69.938804
"563885"	486.570652	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+2Cl"	69.938804
"1034509"	185.503152	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2Cl"	69.938804
"1255181"	379.986385	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Br"	78.918885
"1315807"	382.042372	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Cl+HCOOH"	80.974872
"1330021"	404.024329	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Cl+NaCOOH"	102.956829
"924358"	414.053086	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M-H+CF3COOH"	112.985586
"1296692"	450.029764	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Cl+CF3COOH"	148.962264
"1379596"	266.054824	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H-2H2O"	-35.012676
"1396001"	284.0648	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H-H2O"	-17.0027
"294958"	603.142276	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+H"	1.007276
"687019"	904.209776	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+H"	1.007276
"1354258"	302.074776	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H"	1.007276
"138448"	302.074776	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+2H"	2.014552
"578737"	452.608526	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+2H"	2.014552
"1050454"	151.541026	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2H"	2.014552
"217989"	201.718942666667	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+3H"	3.021828
"657182"	302.074776	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+3H"	3.021828
"1176041"	101.363109333333	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+3H"	3.021828
"437492"	620.168823	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+NH4"	18.033823
"797028"	921.236323	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+NH4"	18.033823
"1686071"	319.101323	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+NH4"	18.033823
"337627"	310.5880495	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+H+NH4"	19.041099
"730050"	461.1217995	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+H+NH4"	19.041099
"1484962"	160.0542995	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H+NH4"	19.041099
"400362"	625.124218	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+Na"	22.989218
"761358"	926.191718	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+Na"	22.989218
"1610550"	324.056718	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Na"	22.989218
"322774"	313.065747	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+H+Na"	23.996494
"717383"	463.599497	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+H+Na"	23.996494
"1473390"	162.531997	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H+Na"	23.996494
"1066271"	108.690423333333	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2H+Na"	25.00377
"1271228"	334.100986	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+CH3OH+H"	33.033486
"386887"	641.098158	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+K"	38.963158
"744608"	942.165658	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+K"	38.963158
"1551764"	340.030658	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+K"	38.963158
"302743"	321.052717	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+H+K"	39.970434
"698443"	471.586467	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+H+K"	39.970434
"1458099"	170.518967	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H+K"	39.970434
"244149"	644.168826	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+ACN+H"	42.033826
"1225002"	343.101326	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+ACN+H"	42.033826
"1205481"	172.054301	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+ACN+2H"	43.041102
"203985"	647.10616	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+2Na-H"	44.97116
"643139"	948.17366	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+2Na-H"	44.97116
"1144335"	346.03866	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2Na-H"	44.97116
"186535"	324.056718	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+2Na"	45.978436
"622812"	474.590468	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+2Na"	45.978436
"1129599"	173.522968	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2Na"	45.978436
"1412033"	116.017737333333	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H+2Na"	46.985712
"1444924"	348.080246	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H+HCOOH"	47.012746
"235263"	329.08974	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+3H2O+2H"	56.04448
"1520810"	362.13229	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+IsoProp+H"	61.06479
"421959"	332.043688	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+Na+K"	61.952376
"783684"	482.577438	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+Na+K"	61.952376
"1679646"	181.509938	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Na+K"	61.952376
"258874"	666.150768	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+ACN+Na"	64.015768
"1236687"	365.083268	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+ACN+Na"	64.015768
"1723753"	365.106793	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+NH4+HCOOH"	64.039293
"1191295"	123.345051333333	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+3Na"	68.967654
"1661920"	370.062188	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Na+HCOOH"	68.994688
"161489"	679.05404	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+2K-H"	76.91904
"598620"	980.12154	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+2K-H"	76.91904
"1085806"	377.98654	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2K-H"	76.91904
"144568"	340.030658	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"2M+2K"	77.926316
"582426"	490.564408	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"3M+2K"	77.926316
"1069857"	189.496908	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2K"	77.926316
"1100270"	380.001092	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2K+H"	78.933592
"1337507"	380.088707	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+DMSO+H"	79.021207
"1007497"	384.127876	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2ACN+H"	83.060376
"1524889"	385.121508	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+IsoProp+Na+H"	84.054008
"993530"	192.567576	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+2ACN+2H"	84.067652
"1591314"	386.036128	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+K+HCOOH"	84.968628
"1414194"	416.067638	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+H+CF3COOH"	115.000138
"1147113"	213.080851	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+3ACN+2H"	125.094202
"1697908"	433.094185	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+NH4+CF3COOH"	132.026685
"1637933"	438.04958	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+Na+CF3COOH"	136.98208
"1579052"	454.02352	"C01294"	"1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate;N-Amidino-scyllo-inosamine 4-phosphate"	"C7H16N3O8P"	"301.0675"	"M+K+CF3COOH"	152.95602
"811608"	192.0634	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M"	0
"982952"	173.04501	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-H2O-H"	-19.01839
"77152"	127.034990666667	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M-3H"	-3.021828
"511854"	191.056124	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M-3H"	-3.021828
"887469"	63.0138573333333	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-3H"	-3.021828
"10423"	191.056124	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M-2H"	-2.014552
"448891"	287.087824	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M-2H"	-2.014552
"823408"	95.024424	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-2H"	-2.014552
"87774"	383.119524	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M-H"	-1.007276
"521866"	575.182924	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M-H"	-1.007276
"901854"	191.056124	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-H"	-1.007276
"54043"	400.146071	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M-2H+NH4"	16.019271
"491416"	592.209471	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M-2H+NH4"	16.019271
"871406"	208.082671	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-2H+NH4"	16.019271
"37126"	405.101466	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M-2H+Na"	20.974666
"477779"	597.164866	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M-2H+Na"	20.974666
"858863"	213.038066	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-2H+Na"	20.974666
"1632771"	213.038066	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Na-2H"	20.974666
"106021"	209.044463	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M-H+Cl"	33.962126
"544491"	305.076163	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M-H+Cl"	33.962126
"932538"	113.012763	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-H+Cl"	33.962126
"276562"	419.096202	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+Cl"	34.969402
"672262"	611.159602	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+Cl"	34.969402
"1280293"	227.032802	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Cl"	34.969402
"27222"	421.075406	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M-2H+K"	36.948606
"461315"	613.138806	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M-2H+K"	36.948606
"841307"	229.012006	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-2H+K"	36.948606
"1557139"	229.012006	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+K-2H"	36.948606
"943443"	237.061594	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-H+HCOOH"	44.998194
"364333"	429.125001	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+HCOOH-H"	44.998201
"349309"	443.140651	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+Hac-H"	59.013851
"1497050"	251.077251	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Hac-H"	59.013851
"972247"	259.043551	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-H+NaCOOH"	66.980151
"122978"	227.032802	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+2Cl"	69.938804
"561809"	323.064502	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+2Cl"	69.938804
"1031703"	131.001102	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2Cl"	69.938804
"1246178"	270.982285	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Br"	78.918885
"1314822"	273.038272	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Cl+HCOOH"	80.974872
"1330131"	295.020229	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Cl+NaCOOH"	102.956829
"923013"	305.048986	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M-H+CF3COOH"	112.985586
"1301912"	341.025664	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Cl+CF3COOH"	148.962264
"1370963"	157.050724	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H-2H2O"	-35.012676
"1389190"	175.0607	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H-H2O"	-17.0027
"283284"	385.134076	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+H"	1.007276
"681300"	577.197476	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+H"	1.007276
"1352909"	193.070676	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H"	1.007276
"129445"	193.070676	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+2H"	2.014552
"570100"	289.102376	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+2H"	2.014552
"1042180"	97.038976	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2H"	2.014552
"215550"	129.049542666667	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+3H"	3.021828
"650739"	193.070676	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+3H"	3.021828
"1163637"	65.0284093333333	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+3H"	3.021828
"428856"	402.160623	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+NH4"	18.033823
"788755"	594.224023	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+NH4"	18.033823
"1688366"	210.097223	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+NH4"	18.033823
"336646"	201.5839495	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+H+NH4"	19.041099
"733440"	297.6156495	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+H+NH4"	19.041099
"1485073"	105.5522495	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H+NH4"	19.041099
"399381"	407.116018	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+Na"	22.989218
"759280"	599.179418	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+Na"	22.989218
"1607376"	215.052618	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Na"	22.989218
"318508"	204.061647	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+H+Na"	23.996494
"709107"	300.093347	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+H+Na"	23.996494
"1472406"	108.029947	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H+Na"	23.996494
"1064559"	72.3557233333333	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2H+Na"	25.00377
"1265143"	225.096886	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+CH3OH+H"	33.033486
"383722"	423.089958	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+K"	38.963158
"743621"	615.153358	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+K"	38.963158
"1543124"	231.026558	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+K"	38.963158
"302853"	212.048617	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+H+K"	39.970434
"698555"	308.080317	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+H+K"	39.970434
"1453471"	116.016917	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H+K"	39.970434
"246447"	426.160626	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+ACN+H"	42.033826
"1224505"	234.097226	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+ACN+H"	42.033826
"1205591"	117.552251	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+ACN+2H"	43.041102
"202596"	429.09796	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+2Na-H"	44.97116
"641669"	621.16136	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+2Na-H"	44.97116
"1141530"	237.03456	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2Na-H"	44.97116
"184822"	215.052618	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+2Na"	45.978436
"620735"	311.084318	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+2Na"	45.978436
"1128256"	119.020918	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2Na"	45.978436
"1408494"	79.6830373333333	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H+2Na"	46.985712
"1441343"	239.076146	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H+HCOOH"	47.012746
"230671"	220.08564	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+3H2O+2H"	56.04448
"1519097"	253.12819	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+IsoProp+H"	61.06479
"418784"	223.039588	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+Na+K"	61.952376
"779051"	319.071288	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+Na+K"	61.952376
"1680131"	127.007888	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Na+K"	61.952376
"263368"	448.142568	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+ACN+Na"	64.015768
"1237166"	256.079168	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+ACN+Na"	64.015768
"1724602"	256.102693	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+NH4+HCOOH"	64.039293
"1188129"	87.0103513333333	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+3Na"	68.967654
"1659117"	261.058088	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Na+HCOOH"	68.994688
"167067"	461.04584	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+2K-H"	76.91904
"604439"	653.10924	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+2K-H"	76.91904
"1088225"	268.98244	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2K-H"	76.91904
"145769"	231.026558	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"2M+2K"	77.926316
"586423"	327.058258	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"3M+2K"	77.926316
"1072029"	134.994858	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2K"	77.926316
"1103052"	270.996992	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2K+H"	78.933592
"1337616"	271.084607	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+DMSO+H"	79.021207
"1006513"	275.123776	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2ACN+H"	83.060376
"1524514"	276.117408	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+IsoProp+Na+H"	84.054008
"991815"	138.065526	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+2ACN+2H"	84.067652
"1588143"	277.032028	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+K+HCOOH"	84.968628
"1415259"	307.063538	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+H+CF3COOH"	115.000138
"1147489"	158.578801	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+3ACN+2H"	125.094202
"1703485"	324.090085	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+NH4+CF3COOH"	132.026685
"1634883"	329.04548	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+Na+CF3COOH"	136.98208
"1579162"	345.01942	"C01295"	"2D-5-O-Methyl-23546-pentahydroxycyclohexanone;5D-5-O-Methyl-23546-pentahydroxycyclohexanone;D-5-O-Methyl-23546-pentahydroxycyclohexanone"	"C7H12O6"	"192.0634"	"M+K+CF3COOH"	152.95602
"809526"	194.1055	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M"	0
"979782"	175.08711	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-H2O-H"	-19.01839
"75681"	128.396390666667	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M-3H"	-3.021828
"511964"	193.098224	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M-3H"	-3.021828
"889766"	63.6945573333333	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-3H"	-3.021828
"10531"	193.098224	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M-2H"	-2.014552
"449001"	290.150974	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M-2H"	-2.014552
"825712"	96.045474	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-2H"	-2.014552
"85701"	387.203724	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M-H"	-1.007276
"526350"	581.309224	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M-H"	-1.007276
"903059"	193.098224	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-H"	-1.007276
"55248"	404.230271	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M-2H+NH4"	16.019271
"494809"	598.335771	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M-2H+NH4"	16.019271
"869333"	210.124771	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-2H+NH4"	16.019271
"36142"	409.185666	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M-2H+Na"	20.974666
"477886"	603.291166	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M-2H+Na"	20.974666
"861161"	215.080166	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-2H+Na"	20.974666
"1632880"	215.080166	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Na-2H"	20.974666
"105037"	211.086563	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M-H+Cl"	33.962126
"544599"	308.139313	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M-H+Cl"	33.962126
"934833"	114.033813	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-H+Cl"	33.962126
"273391"	423.180402	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+Cl"	34.969402
"670186"	617.285902	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+Cl"	34.969402
"1283684"	229.074902	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Cl"	34.969402
"30251"	425.159606	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M-2H+K"	36.948606
"467987"	619.265106	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M-2H+K"	36.948606
"846885"	231.054106	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-2H+K"	36.948606
"1559439"	231.054106	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+K-2H"	36.948606
"948414"	239.103694	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-H+HCOOH"	44.998194
"367723"	433.209201	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+HCOOH-H"	44.998201
"347597"	447.224851	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+Hac-H"	59.013851
"1502627"	253.119351	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Hac-H"	59.013851
"973937"	261.085651	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-H+NaCOOH"	66.980151
"123455"	229.074902	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+2Cl"	69.938804
"561921"	326.127652	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+2Cl"	69.938804
"1034000"	132.022152	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2Cl"	69.938804
"1246653"	273.024385	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Br"	78.918885
"1316026"	275.080372	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Cl+HCOOH"	80.974872
"1330241"	297.062329	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Cl+NaCOOH"	102.956829
"923487"	307.091086	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M-H+CF3COOH"	112.985586
"1302750"	343.067764	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Cl+CF3COOH"	148.962264
"1377270"	159.092824	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H-2H2O"	-35.012676
"1389300"	177.1028	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H-H2O"	-17.0027
"285706"	389.218276	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+H"	1.007276
"681410"	583.323776	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+H"	1.007276
"1354478"	195.112776	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H"	1.007276
"132470"	195.112776	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+2H"	2.014552
"573856"	292.165526	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+2H"	2.014552
"1048122"	98.060026	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2H"	2.014552
"213839"	130.410942666667	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+3H"	3.021828
"650849"	195.112776	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+3H"	3.021828
"1165692"	65.7091093333333	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+3H"	3.021828
"427871"	406.244823	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+NH4"	18.033823
"789959"	600.350323	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+NH4"	18.033823
"1685197"	212.139323	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+NH4"	18.033823
"336757"	203.6260495	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+H+NH4"	19.041099
"729180"	300.6787995	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+H+NH4"	19.041099
"1482997"	106.5732995	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H+NH4"	19.041099
"398398"	411.200218	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+Na"	22.989218
"759392"	605.305718	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+Na"	22.989218
"1607488"	217.094718	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Na"	22.989218
"317526"	206.103747	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+H+Na"	23.996494
"711041"	303.156497	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+H+Na"	23.996494
"1469236"	109.050997	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H+Na"	23.996494
"1064669"	73.0364233333333	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2H+Na"	25.00377
"1264162"	227.138986	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+CH3OH+H"	33.033486
"382738"	427.174158	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+K"	38.963158
"740450"	621.279658	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+K"	38.963158
"1541777"	233.068658	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+K"	38.963158
"305152"	214.090717	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+H+K"	39.970434
"706937"	311.143467	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+H+K"	39.970434
"1460839"	117.037967	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H+K"	39.970434
"248745"	430.244826	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+ACN+H"	42.033826
"1224857"	236.139326	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+ACN+H"	42.033826
"1209431"	118.573301	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+ACN+2H"	43.041102
"201735"	433.18216	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+2Na-H"	44.97116
"637773"	627.28766	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+2Na-H"	44.97116
"1144196"	239.07666	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2Na-H"	44.97116
"185296"	217.094718	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+2Na"	45.978436
"625588"	314.147468	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+2Na"	45.978436
"1127635"	120.041968	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2Na"	45.978436
"1410793"	80.3637373333333	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H+2Na"	46.985712
"1439629"	241.118246	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H+HCOOH"	47.012746
"231147"	222.12774	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+3H2O+2H"	56.04448
"1516654"	255.17029	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+IsoProp+H"	61.06479
"416342"	225.081688	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+Na+K"	61.952376
"776246"	322.134438	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+Na+K"	61.952376
"1679879"	128.028938	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Na+K"	61.952376
"265303"	452.226768	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+ACN+Na"	64.015768
"1238374"	258.121268	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+ACN+Na"	64.015768
"1726172"	258.144793	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+NH4+HCOOH"	64.039293
"1191889"	87.6910513333333	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+3Na"	68.967654
"1662508"	263.100188	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Na+HCOOH"	68.994688
"163898"	465.13004	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+2K-H"	76.91904
"608561"	659.23554	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+2K-H"	76.91904
"1091252"	271.02454	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2K-H"	76.91904
"145154"	233.068658	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"2M+2K"	77.926316
"586534"	330.121408	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"3M+2K"	77.926316
"1072141"	136.015908	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2K"	77.926316
"1105353"	273.039092	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2K+H"	78.933592
"1340647"	273.126707	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+DMSO+H"	79.021207
"1011363"	277.165876	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2ACN+H"	83.060376
"1530583"	278.159508	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+IsoProp+Na+H"	84.054008
"993750"	139.086576	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+2ACN+2H"	84.067652
"1590440"	279.074128	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+K+HCOOH"	84.968628
"1415368"	309.105638	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+H+CF3COOH"	115.000138
"1147845"	159.599851	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+3ACN+2H"	125.094202
"1700315"	326.132185	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+NH4+CF3COOH"	132.026685
"1635236"	331.08758	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+Na+CF3COOH"	136.98208
"1579272"	347.06152	"C01297"	"6-Hydroxypseudooxynicotine;1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O2"	"194.1055"	"M+K+CF3COOH"	152.95602
"812916"	220.1172	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M"	0
"979892"	201.09881	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-H2O-H"	-19.01839
"75791"	145.737524	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M-3H"	-3.021828
"512074"	219.109924	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M-3H"	-3.021828
"889876"	72.365124	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-3H"	-3.021828
"5176"	219.109924	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M-2H"	-2.014552
"445831"	329.168524	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M-2H"	-2.014552
"820352"	109.051324	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-2H"	-2.014552
"85813"	439.227124	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M-H"	-1.007276
"526460"	659.344324	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M-H"	-1.007276
"900984"	219.109924	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-H"	-1.007276
"52081"	456.253671	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M-2H+NH4"	16.019271
"493830"	676.370871	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M-2H+NH4"	16.019271
"865072"	236.136471	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-2H+NH4"	16.019271
"32607"	461.209066	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M-2H+Na"	20.974666
"473626"	681.326266	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M-2H+Na"	20.974666
"855803"	241.091866	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-2H+Na"	20.974666
"1632509"	241.091866	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Na-2H"	20.974666
"107944"	237.098263	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M-H+Cl"	33.962126
"539243"	347.156863	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M-H+Cl"	33.962126
"936037"	127.039663	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-H+Cl"	33.962126
"278968"	475.203802	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+Cl"	34.969402
"670296"	695.321002	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+Cl"	34.969402
"1283794"	255.086602	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Cl"	34.969402
"28902"	477.183006	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M-2H+K"	36.948606
"467733"	697.300206	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M-2H+K"	36.948606
"845904"	257.065806	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-2H+K"	36.948606
"1565019"	257.065806	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+K-2H"	36.948606
"950712"	265.115394	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-H+HCOOH"	44.998194
"366742"	485.232601	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+HCOOH-H"	44.998201
"354998"	499.248251	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+Hac-H"	59.013851
"1501645"	279.131051	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Hac-H"	59.013851
"971374"	287.097351	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-H+NaCOOH"	66.980151
"118095"	255.086602	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+2Cl"	69.938804
"558751"	365.145202	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+2Cl"	69.938804
"1030830"	145.028002	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2Cl"	69.938804
"1244942"	299.036085	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Br"	78.918885
"1311762"	301.092072	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Cl+HCOOH"	80.974872
"1327071"	323.074029	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Cl+NaCOOH"	102.956829
"923597"	333.102786	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M-H+CF3COOH"	112.985586
"1302496"	369.079464	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Cl+CF3COOH"	148.962264
"1378473"	185.104524	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H-2H2O"	-35.012676
"1387588"	203.1145	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H-H2O"	-17.0027
"285087"	441.241676	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+H"	1.007276
"681520"	661.358876	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+H"	1.007276
"1362973"	221.124476	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H"	1.007276
"132944"	221.124476	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+2H"	2.014552
"575058"	331.183076	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+2H"	2.014552
"1049692"	111.065876	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2H"	2.014552
"215773"	147.752076	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+3H"	3.021828
"653874"	221.124476	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+3H"	3.021828
"1166896"	74.379676	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+3H"	3.021828
"427981"	458.268223	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+NH4"	18.033823
"792256"	678.385423	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+NH4"	18.033823
"1684214"	238.151023	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+NH4"	18.033823
"336867"	229.6377495	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+H+NH4"	19.041099
"729290"	339.6963495	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+H+NH4"	19.041099
"1482016"	119.5791495	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H+NH4"	19.041099
"397416"	463.223618	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+Na"	22.989218
"759503"	683.340818	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+Na"	22.989218
"1605413"	243.106418	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Na"	22.989218
"317635"	232.115447	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+H+Na"	23.996494
"715525"	342.174047	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+H+Na"	23.996494
"1469348"	122.056847	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H+Na"	23.996494
"1064415"	81.70699	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2H+Na"	25.00377
"1267553"	253.150686	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+CH3OH+H"	33.033486
"383943"	479.197558	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+K"	38.963158
"742747"	699.314758	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+K"	38.963158
"1544798"	259.080358	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+K"	38.963158
"305262"	240.102417	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+H+K"	39.970434
"704610"	350.161017	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+H+K"	39.970434
"1459408"	130.043817	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H+K"	39.970434
"247762"	482.268226	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+ACN+H"	42.033826
"1224361"	262.151026	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+ACN+H"	42.033826
"1208607"	131.579151	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+ACN+2H"	43.041102
"201238"	485.20556	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+2Na-H"	44.97116
"635696"	705.32276	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+2Na-H"	44.97116
"1143574"	265.08836	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2Na-H"	44.97116
"185773"	243.106418	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+2Na"	45.978436
"623145"	353.165018	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+2Na"	45.978436
"1128473"	133.047818	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2Na"	45.978436
"1406891"	89.034304	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H+2Na"	46.985712
"1436823"	267.129946	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H+HCOOH"	47.012746
"228705"	248.13944	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+3H2O+2H"	56.04448
"1514578"	281.18199	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+IsoProp+H"	61.06479
"416452"	251.093388	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+Na+K"	61.952376
"775263"	361.151988	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+Na+K"	61.952376
"1678893"	141.034788	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Na+K"	61.952376
"265657"	504.250168	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+ACN+Na"	64.015768
"1239580"	284.132968	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+ACN+Na"	64.015768
"1726039"	284.156493	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+NH4+HCOOH"	64.039293
"1192000"	96.361618	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+3Na"	68.967654
"1659338"	289.111888	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Na+HCOOH"	68.994688
"165103"	517.15344	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+2K-H"	76.91904
"605756"	737.27064	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+2K-H"	76.91904
"1089176"	297.03624	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2K-H"	76.91904
"144901"	259.080358	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"2M+2K"	77.926316
"588831"	369.138958	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"3M+2K"	77.926316
"1072252"	149.021758	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2K"	77.926316
"1104370"	299.050792	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2K+H"	78.933592
"1341851"	299.138407	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+DMSO+H"	79.021207
"1010379"	303.177576	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2ACN+H"	83.060376
"1531788"	304.171208	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+IsoProp+Na+H"	84.054008
"993860"	152.092426	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+2ACN+2H"	84.067652
"1592737"	305.085828	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+K+HCOOH"	84.968628
"1415478"	335.117338	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+H+CF3COOH"	115.000138
"1147223"	172.605701	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+3ACN+2H"	125.094202
"1700425"	352.143885	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+NH4+CF3COOH"	132.026685
"1638263"	357.09928	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+Na+CF3COOH"	136.98208
"1579382"	373.07322	"C01298"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol;Amidinostreptamine"	"C7H16N4O4"	"220.1172"	"M+K+CF3COOH"	152.95602
"816682"	195.0756	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M"	0
"983283"	176.05721	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-H2O-H"	-19.01839
"75901"	129.043124	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M-3H"	-3.021828
"512184"	194.068324	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M-3H"	-3.021828
"892173"	64.017924	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-3H"	-3.021828
"8565"	194.068324	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M-2H"	-2.014552
"450314"	291.606124	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M-2H"	-2.014552
"824837"	96.530524	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-2H"	-2.014552
"80576"	389.143924	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M-H"	-1.007276
"522198"	584.219524	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M-H"	-1.007276
"901093"	194.068324	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-H"	-1.007276
"49275"	406.170471	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M-2H+NH4"	16.019271
"490660"	601.246071	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M-2H+NH4"	16.019271
"867366"	211.094871	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-2H+NH4"	16.019271
"34902"	411.125866	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M-2H+Na"	20.974666
"474831"	606.201466	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M-2H+Na"	20.974666
"850808"	216.050266	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-2H+Na"	20.974666
"1629821"	216.050266	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Na-2H"	20.974666
"106350"	212.056663	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M-H+Cl"	33.962126
"539353"	309.594463	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M-H+Cl"	33.962126
"936148"	114.518863	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-H+Cl"	33.962126
"279079"	425.120602	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+Cl"	34.969402
"672594"	620.196202	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+Cl"	34.969402
"1283905"	230.045002	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Cl"	34.969402
"27923"	427.099806	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M-2H+K"	36.948606
"469301"	622.175406	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M-2H+K"	36.948606
"839449"	232.024206	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-2H+K"	36.948606
"1559660"	232.024206	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+K-2H"	36.948606
"948636"	240.073794	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-H+HCOOH"	44.998194
"363567"	435.149401	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+HCOOH-H"	44.998201
"350368"	449.165051	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+Hac-H"	59.013851
"1499569"	254.089451	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Hac-H"	59.013851
"966017"	262.055751	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-H+NaCOOH"	66.980151
"118207"	230.045002	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+2Cl"	69.938804
"558861"	327.582802	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+2Cl"	69.938804
"1030941"	132.507202	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2Cl"	69.938804
"1245415"	273.994485	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Br"	78.918885
"1311873"	276.050472	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Cl+HCOOH"	80.974872
"1330463"	298.032429	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Cl+NaCOOH"	102.956829
"923707"	308.061186	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M-H+CF3COOH"	112.985586
"1298231"	344.037864	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Cl+CF3COOH"	148.962264
"1375307"	160.062924	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H-2H2O"	-35.012676
"1394624"	178.0729	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H-H2O"	-17.0027
"296132"	391.158476	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+H"	1.007276
"678349"	586.234076	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+H"	1.007276
"1357978"	196.082876	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H"	1.007276
"135243"	196.082876	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+2H"	2.014552
"579177"	293.620676	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+2H"	2.014552
"1048710"	98.545076	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2H"	2.014552
"215880"	131.057676	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+3H"	3.021828
"647788"	196.082876	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+3H"	3.021828
"1164331"	66.032476	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+3H"	3.021828
"428093"	408.185023	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+NH4"	18.033823
"797834"	603.260623	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+NH4"	18.033823
"1685418"	213.109423	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+NH4"	18.033823
"334789"	204.5961495	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+H+NH4"	19.041099
"728305"	302.1339495	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+H+NH4"	19.041099
"1481032"	107.0583495	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H+NH4"	19.041099
"397524"	413.140418	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+Na"	22.989218
"760702"	608.216018	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+Na"	22.989218
"1607707"	218.064818	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Na"	22.989218
"317747"	207.073847	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+H+Na"	23.996494
"715636"	304.611647	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+H+Na"	23.996494
"1468363"	109.536047	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H+Na"	23.996494
"1060518"	73.35979	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2H+Na"	25.00377
"1268756"	228.109086	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+CH3OH+H"	33.033486
"385145"	429.114358	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+K"	38.963158
"743950"	624.189958	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+K"	38.963158
"1540662"	234.038758	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+K"	38.963158
"303550"	215.060817	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+H+K"	39.970434
"695607"	312.598617	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+H+K"	39.970434
"1452708"	117.523017	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H+K"	39.970434
"245684"	432.185026	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+ACN+H"	42.033826
"1221674"	237.109426	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+ACN+H"	42.033826
"1205558"	119.058351	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+ACN+2H"	43.041102
"202319"	435.12236	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+2Na-H"	44.97116
"641635"	630.19796	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+2Na-H"	44.97116
"1142590"	240.04676	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2Na-H"	44.97116
"183694"	218.064818	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+2Na"	45.978436
"625805"	315.602618	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+2Na"	45.978436
"1123477"	120.527018	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2Na"	45.978436
"1410281"	80.687104	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H+2Na"	46.985712
"1440213"	242.088346	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H+HCOOH"	47.012746
"229909"	223.09784	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+3H2O+2H"	56.04448
"1521254"	256.14039	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+IsoProp+H"	61.06479
"417659"	226.051788	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+Na+K"	61.952376
"781935"	323.589588	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+Na+K"	61.952376
"1679366"	128.513988	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Na+K"	61.952376
"265766"	454.166968	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+ACN+Na"	64.015768
"1239325"	259.091368	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+ACN+Na"	64.015768
"1724202"	259.114893	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+NH4+HCOOH"	64.039293
"1192962"	88.014418	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+3Na"	68.967654
"1657257"	264.070288	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Na+HCOOH"	68.994688
"161932"	467.07024	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+2K-H"	76.91904
"601492"	662.14584	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+2K-H"	76.91904
"1090378"	271.99464	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2K-H"	76.91904
"145008"	234.038758	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"2M+2K"	77.926316
"583111"	331.576558	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"3M+2K"	77.926316
"1069081"	136.500958	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2K"	77.926316
"1103385"	274.009192	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2K+H"	78.933592
"1341960"	274.096807	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+DMSO+H"	79.021207
"1010489"	278.135976	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2ACN+H"	83.060376
"1529708"	279.129608	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+IsoProp+Na+H"	84.054008
"996156"	139.571626	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+2ACN+2H"	84.067652
"1590659"	280.044228	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+K+HCOOH"	84.968628
"1419602"	310.075738	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+H+CF3COOH"	115.000138
"1149160"	160.084901	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+3ACN+2H"	125.094202
"1700535"	327.102285	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+NH4+CF3COOH"	132.026685
"1638373"	332.05768	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+Na+CF3COOH"	136.98208
"1579492"	348.03162	"C01300"	"2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine"	"C7H9N5O2"	"195.0756"	"M+K+CF3COOH"	152.95602
"814235"	434.3396	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M"	0
"985580"	415.32121	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-H2O-H"	-19.01839
"72731"	288.552457333333	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M-3H"	-3.021828
"507920"	433.332324	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M-3H"	-3.021828
"889004"	143.772590666667	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-3H"	-3.021828
"9768"	433.332324	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M-2H"	-2.014552
"451518"	650.502124	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M-2H"	-2.014552
"821667"	216.162524	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-2H"	-2.014552
"84939"	867.671924	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M-H"	-1.007276
"523401"	1302.011524	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M-H"	-1.007276
"903390"	433.332324	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-H"	-1.007276
"53397"	884.698471	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M-2H+NH4"	16.019271
"494051"	1319.038071	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M-2H+NH4"	16.019271
"869663"	450.358871	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-2H+NH4"	16.019271
"35379"	889.653866	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M-2H+Na"	20.974666
"478222"	1323.993466	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M-2H+Na"	20.974666
"858211"	455.314266	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-2H+Na"	20.974666
"1628838"	455.314266	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Na-2H"	20.974666
"109377"	451.320663	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M-H+Cl"	33.962126
"546024"	668.490463	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M-H+Cl"	33.962126
"938446"	234.150863	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-H+Cl"	33.962126
"277003"	903.648602	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+Cl"	34.969402
"671611"	1337.988202	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+Cl"	34.969402
"1284015"	469.309002	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Cl"	34.969402
"28033"	905.627806	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M-2H+K"	36.948606
"468318"	1339.967406	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M-2H+K"	36.948606
"839559"	471.288206	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-2H+K"	36.948606
"1569611"	471.288206	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+K-2H"	36.948606
"950934"	479.337794	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-H+HCOOH"	44.998194
"365138"	913.677401	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+HCOOH-H"	44.998201
"355217"	927.693051	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+Hac-H"	59.013851
"1499679"	493.353451	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Hac-H"	59.013851
"966127"	501.319751	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-H+NaCOOH"	66.980151
"117224"	469.309002	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+2Cl"	69.938804
"560431"	686.478802	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+2Cl"	69.938804
"1029958"	252.139202	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2Cl"	69.938804
"1245890"	513.258485	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Br"	78.918885
"1311983"	515.314472	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Cl+HCOOH"	80.974872
"1328386"	537.296429	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Cl+NaCOOH"	102.956829
"917257"	547.325186	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M-H+CF3COOH"	112.985586
"1298341"	583.301864	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Cl+CF3COOH"	148.962264
"1377603"	399.326924	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H-2H2O"	-35.012676
"1392912"	417.3369	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H-H2O"	-17.0027
"294420"	869.686476	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+H"	1.007276
"685020"	1304.026076	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+H"	1.007276
"1362463"	435.346876	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H"	1.007276
"137176"	435.346876	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+2H"	2.014552
"580017"	652.516676	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+2H"	2.014552
"1049184"	218.177076	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2H"	2.014552
"212713"	290.567009333333	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+3H"	3.021828
"650085"	435.346876	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+3H"	3.021828
"1167116"	145.787142666667	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+3H"	3.021828
"430390"	886.713023	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+NH4"	18.033823
"795757"	1321.052623	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+NH4"	18.033823
"1687716"	452.373423	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+NH4"	18.033823
"335993"	443.8601495	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+H+NH4"	19.041099
"728416"	661.0299495	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+H+NH4"	19.041099
"1481142"	226.6903495	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H+NH4"	19.041099
"397634"	891.668418	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+Na"	22.989218
"760812"	1326.008018	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+Na"	22.989218
"1610008"	457.328818	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Na"	22.989218
"318951"	446.337847	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+H+Na"	23.996494
"715746"	663.507647	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+H+Na"	23.996494
"1469567"	229.168047	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H+Na"	23.996494
"1063908"	153.114456666667	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2H+Na"	25.00377
"1269960"	467.373086	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+CH3OH+H"	33.033486
"383069"	907.642358	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+K"	38.963158
"745157"	1341.981958	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+K"	38.963158
"1542837"	473.302758	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+K"	38.963158
"303296"	454.324817	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+H+K"	39.970434
"696810"	671.494617	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+H+K"	39.970434
"1453911"	237.155017	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H+K"	39.970434
"242511"	910.713026	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+ACN+H"	42.033826
"1223970"	476.373426	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+ACN+H"	42.033826
"1206761"	238.690351	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+ACN+2H"	43.041102
"202916"	913.65036	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+2Na-H"	44.97116
"642110"	1347.98996	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+2Na-H"	44.97116
"1142700"	479.31076	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2Na-H"	44.97116
"183803"	457.328818	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+2Na"	45.978436
"624458"	674.498618	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+2Na"	45.978436
"1127598"	240.159018	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2Na"	45.978436
"1409298"	160.441770666667	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H+2Na"	46.985712
"1442509"	481.352346	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H+HCOOH"	47.012746
"230018"	462.36184	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+3H2O+2H"	56.04448
"1521363"	495.40439	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+IsoProp+H"	61.06479
"418862"	465.315788	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+Na+K"	61.952376
"782045"	682.485588	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+Na+K"	61.952376
"1679111"	248.145988	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Na+K"	61.952376
"264177"	932.694968	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+ACN+Na"	64.015768
"1237978"	498.355368	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+ACN+Na"	64.015768
"1721032"	498.378893	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+NH4+HCOOH"	64.039293
"1192464"	167.769084666667	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+3Na"	68.967654
"1655181"	503.334288	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Na+HCOOH"	68.994688
"161312"	945.59824	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+2K-H"	76.91904
"600510"	1379.93784	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+2K-H"	76.91904
"1087209"	511.25864	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2K-H"	76.91904
"144027"	473.302758	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"2M+2K"	77.926316
"583584"	690.472558	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"3M+2K"	77.926316
"1071014"	256.132958	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2K"	77.926316
"1104589"	513.273192	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2K+H"	78.933592
"1339883"	513.360807	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+DMSO+H"	79.021207
"1008413"	517.399976	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2ACN+H"	83.060376
"1528724"	518.393608	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+IsoProp+Na+H"	84.054008
"995173"	259.203626	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+2ACN+2H"	84.067652
"1589310"	519.308228	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+K+HCOOH"	84.968628
"1419712"	549.339738	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+H+CF3COOH"	115.000138
"1150000"	279.716901	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+3ACN+2H"	125.094202
"1697485"	566.366285	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+NH4+CF3COOH"	132.026685
"1641763"	571.32168	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+Na+CF3COOH"	136.98208
"1579602"	587.29562	"C01301"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-al"	"C27H46O4"	"434.3396"	"M+K+CF3COOH"	152.95602
"812157"	349.0563	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M"	0
"986783"	330.03791	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-H2O-H"	-19.01839
"69561"	231.696924	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M-3H"	-3.021828
"505842"	348.049024	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M-3H"	-3.021828
"884738"	115.344824	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-3H"	-3.021828
"14252"	348.049024	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M-2H"	-2.014552
"452718"	522.577174	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M-2H"	-2.014552
"826148"	173.520874	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-2H"	-2.014552
"86142"	697.105324	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M-H"	-1.007276
"524605"	1046.161624	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M-H"	-1.007276
"901315"	348.049024	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-H"	-1.007276
"57882"	714.131871	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M-2H+NH4"	16.019271
"497441"	1063.188171	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M-2H+NH4"	16.019271
"869775"	365.075571	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-2H+NH4"	16.019271
"37676"	719.087266	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M-2H+Na"	20.974666
"478332"	1068.143566	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M-2H+Na"	20.974666
"858321"	370.030966	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-2H+Na"	20.974666
"1628948"	370.030966	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Na-2H"	20.974666
"109734"	366.037363	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M-H+Cl"	33.962126
"542854"	540.565513	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M-H+Cl"	33.962126
"938556"	191.509213	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-H+Cl"	33.962126
"278207"	733.082002	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+Cl"	34.969402
"672814"	1082.138302	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+Cl"	34.969402
"1284125"	384.025702	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Cl"	34.969402
"28506"	735.061206	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M-2H+K"	36.948606
"468064"	1084.117506	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M-2H+K"	36.948606
"839669"	386.004906	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-2H+K"	36.948606
"1560973"	386.004906	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+K-2H"	36.948606
"949949"	394.054494	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-H+HCOOH"	44.998194
"366341"	743.110801	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+HCOOH-H"	44.998201
"356420"	757.126451	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+Hac-H"	59.013851
"1506348"	408.070151	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Hac-H"	59.013851
"966236"	416.036451	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-H+NaCOOH"	66.980151
"115510"	384.025702	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+2Cl"	69.938804
"559082"	558.553852	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+2Cl"	69.938804
"1031161"	209.497552	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2Cl"	69.938804
"1247457"	427.975185	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Br"	78.918885
"1313186"	430.031172	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Cl+HCOOH"	80.974872
"1330682"	452.013129	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Cl+NaCOOH"	102.956829
"920646"	462.041886	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M-H+CF3COOH"	112.985586
"1298451"	498.018564	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Cl+CF3COOH"	148.962264
"1378806"	314.043624	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H-2H2O"	-35.012676
"1393022"	332.0536	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H-H2O"	-17.0027
"296352"	699.119876	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+H"	1.007276
"685130"	1048.176176	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+H"	1.007276
"1361845"	350.063576	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H"	1.007276
"136193"	350.063576	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+2H"	2.014552
"580492"	524.591726	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+2H"	2.014552
"1050023"	175.535426	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2H"	2.014552
"216103"	233.711476	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+3H"	3.021828
"650196"	350.063576	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+3H"	3.021828
"1166134"	117.359376	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+3H"	3.021828
"429407"	716.146423	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+NH4"	18.033823
"794774"	1065.202723	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+NH4"	18.033823
"1683452"	367.090123	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+NH4"	18.033823
"332823"	358.5768495	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+H+NH4"	19.041099
"726338"	533.1049995	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+H+NH4"	19.041099
"1480159"	184.0486995	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H+NH4"	19.041099
"397744"	721.101818	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+Na"	22.989218
"757643"	1070.158118	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+Na"	22.989218
"1610118"	372.045518	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Na"	22.989218
"323434"	361.054547	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+H+Na"	23.996494
"713671"	535.582697	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+H+Na"	23.996494
"1472958"	186.526397	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H+Na"	23.996494
"1065110"	124.68669	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2H+Na"	25.00377
"1271162"	382.089786	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+CH3OH+H"	33.033486
"388647"	737.075758	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+K"	38.963158
"746360"	1086.132058	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+K"	38.963158
"1543313"	388.019458	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+K"	38.963158
"301218"	369.041517	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+H+K"	39.970434
"693637"	543.569667	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+H+K"	39.970434
"1450739"	194.513367	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H+K"	39.970434
"239340"	740.146426	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+ACN+H"	42.033826
"1218611"	391.090126	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+ACN+H"	42.033826
"1203589"	196.048701	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+ACN+2H"	43.041102
"203750"	743.08376	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+2Na-H"	44.97116
"642949"	1092.14006	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+2Na-H"	44.97116
"1142810"	394.02746	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2Na-H"	44.97116
"185006"	372.045518	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+2Na"	45.978436
"624568"	546.573668	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+2Na"	45.978436
"1128801"	197.517368	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2Na"	45.978436
"1409408"	132.014004	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H+2Na"	46.985712
"1440432"	396.069046	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H+HCOOH"	47.012746
"232315"	377.07854	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+3H2O+2H"	56.04448
"1523295"	410.12109	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+IsoProp+H"	61.06479
"421158"	380.032488	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+Na+K"	61.952376
"784341"	554.560638	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+Na+K"	61.952376
"1679949"	205.504338	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Na+K"	61.952376
"266794"	762.128368	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+ACN+Na"	64.015768
"1239549"	413.072068	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+ACN+Na"	64.015768
"1724422"	413.095593	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+NH4+HCOOH"	64.039293
"1192816"	139.341318	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+3Na"	68.967654
"1657477"	418.050988	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Na+HCOOH"	68.994688
"161785"	775.03164	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+2K-H"	76.91904
"602807"	1124.08794	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+2K-H"	76.91904
"1090600"	425.97534	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2K-H"	76.91904
"143527"	388.019458	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"2M+2K"	77.926316
"583697"	562.547608	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"3M+2K"	77.926316
"1072583"	213.491308	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2K"	77.926316
"1104699"	427.989892	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2K+H"	78.933592
"1339628"	428.077507	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+DMSO+H"	79.021207
"1010709"	432.116676	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2ACN+H"	83.060376
"1529198"	433.110308	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+IsoProp+Na+H"	84.054008
"996376"	216.561976	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+2ACN+2H"	84.067652
"1589420"	434.024928	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+K+HCOOH"	84.968628
"1419822"	464.056438	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+H+CF3COOH"	115.000138
"1150110"	237.075251	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+3ACN+2H"	125.094202
"1697838"	481.082985	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+NH4+CF3COOH"	132.026685
"1641873"	486.03838	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+Na+CF3COOH"	136.98208
"1579712"	502.01232	"C01302"	"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate"	"C12H16NO9P"	"349.0563"	"M+K+CF3COOH"	152.95602
"811174"	353.0736	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M"	0
"984707"	334.05521	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-H2O-H"	-19.01839
"67484"	234.375124	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M-3H"	-3.021828
"504859"	352.066324	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M-3H"	-3.021828
"884848"	116.683924	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-3H"	-3.021828
"9990"	352.066324	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M-2H"	-2.014552
"450642"	528.603124	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M-2H"	-2.014552
"826258"	175.529524	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-2H"	-2.014552
"88437"	705.139924	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M-H"	-1.007276
"522528"	1058.213524	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M-H"	-1.007276
"906891"	352.066324	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-H"	-1.007276
"56898"	722.166471	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M-2H+NH4"	16.019271
"494270"	1075.240071	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M-2H+NH4"	16.019271
"873164"	369.092871	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-2H+NH4"	16.019271
"38879"	727.121866	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M-2H+Na"	20.974666
"478442"	1080.195466	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M-2H+Na"	20.974666
"858431"	374.048266	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-2H+Na"	20.974666
"1630151"	374.048266	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Na-2H"	20.974666
"109639"	370.054663	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M-H+Cl"	33.962126
"540777"	546.591463	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M-H+Cl"	33.962126
"938666"	193.517863	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-H+Cl"	33.962126
"278317"	741.116602	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+Cl"	34.969402
"669644"	1094.190202	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+Cl"	34.969402
"1284235"	388.043002	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Cl"	34.969402
"25699"	743.095806	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M-2H+K"	36.948606
"466351"	1096.169406	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M-2H+K"	36.948606
"837592"	390.022206	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-2H+K"	36.948606
"1561083"	390.022206	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+K-2H"	36.948606
"951152"	398.071794	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-H+HCOOH"	44.998194
"367180"	751.145401	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+HCOOH-H"	44.998201
"356530"	765.161051	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+Hac-H"	59.013851
"1506458"	412.087451	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Hac-H"	59.013851
"966346"	420.053751	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-H+NaCOOH"	66.980151
"115620"	388.043002	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+2Cl"	69.938804
"558098"	564.579802	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+2Cl"	69.938804
"1031271"	211.506202	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2Cl"	69.938804
"1246473"	431.992485	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Br"	78.918885
"1308922"	434.048472	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Cl+HCOOH"	80.974872
"1329699"	456.030429	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Cl+NaCOOH"	102.956829
"919663"	466.059186	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M-H+CF3COOH"	112.985586
"1298561"	502.035864	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Cl+CF3COOH"	148.962264
"1381831"	318.060924	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H-2H2O"	-35.012676
"1394954"	336.0709	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H-H2O"	-17.0027
"298519"	707.154476	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+H"	1.007276
"681960"	1060.228076	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+H"	1.007276
"1360497"	354.080876	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H"	1.007276
"138490"	354.080876	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+2H"	2.014552
"576227"	530.617676	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+2H"	2.014552
"1050133"	177.544076	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2H"	2.014552
"217307"	236.389676	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+3H"	3.021828
"652494"	354.080876	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+3H"	3.021828
"1170618"	118.698476	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+3H"	3.021828
"428422"	724.181023	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+NH4"	18.033823
"790511"	1077.254623	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+NH4"	18.033823
"1682832"	371.107423	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+NH4"	18.033823
"334026"	362.5941495	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+H+NH4"	19.041099
"729729"	539.1309495	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+H+NH4"	19.041099
"1484643"	186.0573495	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H+NH4"	19.041099
"398948"	729.136418	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+Na"	22.989218
"759941"	1082.210018	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+Na"	22.989218
"1609135"	376.062818	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Na"	22.989218
"319171"	365.071847	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+H+Na"	23.996494
"710500"	541.608647	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+H+Na"	23.996494
"1468695"	188.535047	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H+Na"	23.996494
"1061940"	126.02579	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2H+Na"	25.00377
"1269086"	386.107086	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+CH3OH+H"	33.033486
"386570"	745.110358	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+K"	38.963158
"747563"	1098.183958	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+K"	38.963158
"1545244"	392.036758	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+K"	38.963158
"300598"	373.058817	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+H+K"	39.970434
"692047"	549.595617	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+H+K"	39.970434
"1448662"	196.522017	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H+K"	39.970434
"238356"	748.181026	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+ACN+H"	42.033826
"1218721"	395.107426	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+ACN+H"	42.033826
"1202606"	198.057351	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+ACN+2H"	43.041102
"202038"	751.11836	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+2Na-H"	44.97116
"642329"	1104.19196	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+2Na-H"	44.97116
"1142556"	398.04476	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2Na-H"	44.97116
"184023"	376.062818	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+2Na"	45.978436
"623585"	552.599618	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+2Na"	45.978436
"1126360"	199.526018	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2Na"	45.978436
"1406968"	133.353104	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H+2Na"	46.985712
"1437262"	400.086346	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H+HCOOH"	47.012746
"231332"	381.09584	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+3H2O+2H"	56.04448
"1519394"	414.13839	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+IsoProp+H"	61.06479
"413613"	384.049788	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+Na+K"	61.952376
"782263"	560.586588	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+Na+K"	61.952376
"1681236"	207.512988	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Na+K"	61.952376
"267109"	770.162968	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+ACN+Na"	64.015768
"1235645"	417.089368	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+ACN+Na"	64.015768
"1722344"	417.112893	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+NH4+HCOOH"	64.039293
"1188793"	140.680418	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+3Na"	68.967654
"1655034"	422.068288	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Na+HCOOH"	68.994688
"162623"	783.06624	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+2K-H"	76.91904
"599637"	1136.13984	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+2K-H"	76.91904
"1087063"	429.99264	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2K-H"	76.91904
"143877"	392.036758	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"2M+2K"	77.926316
"583443"	568.573558	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"3M+2K"	77.926316
"1070870"	215.499958	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2K"	77.926316
"1102986"	432.007192	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2K+H"	78.933592
"1340103"	432.094807	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+DMSO+H"	79.021207
"1010819"	436.133976	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2ACN+H"	83.060376
"1528944"	437.127608	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+IsoProp+Na+H"	84.054008
"996486"	218.570626	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+2ACN+2H"	84.067652
"1592082"	438.042228	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+K+HCOOH"	84.968628
"1419932"	468.073738	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+H+CF3COOH"	115.000138
"1150220"	239.083901	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+3ACN+2H"	125.094202
"1697584"	485.100285	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+NH4+CF3COOH"	132.026685
"1641983"	490.05568	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+Na+CF3COOH"	136.98208
"1579822"	506.02962	"C01304"	"25-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H16N5O8P"	"353.0736"	"M+K+CF3COOH"	152.95602
"806908"	379.1115	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M"	0
"983721"	360.09311	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-H2O-H"	-19.01839
"69784"	251.733724	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M-3H"	-3.021828
"513716"	378.104224	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M-3H"	-3.021828
"884959"	125.363224	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-3H"	-3.021828
"10100"	378.104224	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M-2H"	-2.014552
"447471"	567.659974	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M-2H"	-2.014552
"825275"	188.548474	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-2H"	-2.014552
"87454"	757.215724	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M-H"	-1.007276
"525919"	1136.327224	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M-H"	-1.007276
"902630"	378.104224	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-H"	-1.007276
"54816"	774.242271	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M-2H+NH4"	16.019271
"492191"	1153.353771	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M-2H+NH4"	16.019271
"869995"	395.130771	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-2H+NH4"	16.019271
"37896"	779.197666	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M-2H+Na"	20.974666
"484019"	1158.309166	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M-2H+Na"	20.974666
"863285"	400.086166	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-2H+Na"	20.974666
"1632084"	400.086166	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Na-2H"	20.974666
"106794"	396.092563	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M-H+Cl"	33.962126
"544168"	585.648313	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M-H+Cl"	33.962126
"936589"	206.536813	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-H+Cl"	33.962126
"278793"	793.192402	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+Cl"	34.969402
"670847"	1172.303902	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+Cl"	34.969402
"1281065"	414.080902	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Cl"	34.969402
"16692"	795.171606	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M-2H+K"	36.948606
"464641"	1174.283106	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M-2H+K"	36.948606
"835152"	416.060106	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-2H+K"	36.948606
"1566661"	416.060106	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+K-2H"	36.948606
"950533"	424.109694	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-H+HCOOH"	44.998194
"366926"	803.221201	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+HCOOH-H"	44.998201
"351537"	817.236851	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+Hac-H"	59.013851
"1503288"	438.125351	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Hac-H"	59.013851
"966456"	446.091651	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-H+NaCOOH"	66.980151
"114270"	414.080902	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+2Cl"	69.938804
"554924"	603.636652	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+2Cl"	69.938804
"1024817"	224.525152	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2Cl"	69.938804
"1249866"	458.030385	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Br"	78.918885
"1315594"	460.086372	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Cl+HCOOH"	80.974872
"1328717"	482.068329	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Cl+NaCOOH"	102.956829
"924882"	492.097086	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M-H+CF3COOH"	112.985586
"1303048"	528.073764	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Cl+CF3COOH"	148.962264
"1380482"	344.098824	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H-2H2O"	-35.012676
"1396764"	362.1088	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H-H2O"	-17.0027
"291836"	759.230276	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+H"	1.007276
"688632"	1138.341776	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+H"	1.007276
"1365344"	380.118776	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H"	1.007276
"134588"	380.118776	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+2H"	2.014552
"577432"	569.674526	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+2H"	2.014552
"1048420"	190.563026	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2H"	2.014552
"214136"	253.748276	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+3H"	3.021828
"653694"	380.118776	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+3H"	3.021828
"1174006"	127.377776	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+3H"	3.021828
"431812"	776.256823	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+NH4"	18.033823
"789528"	1155.368323	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+NH4"	18.033823
"1684764"	397.145323	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+NH4"	18.033823
"336323"	388.6320495	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+H+NH4"	19.041099
"730929"	578.1877995	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+H+NH4"	19.041099
"1483656"	199.0762995	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H+NH4"	19.041099
"402336"	781.212218	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+Na"	22.989218
"763332"	1160.323718	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+Na"	22.989218
"1607059"	402.100718	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Na"	22.989218
"321469"	391.109747	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+H+Na"	23.996494
"712798"	580.665497	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+H+Na"	23.996494
"1467712"	201.553997	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H+Na"	23.996494
"1059863"	134.70509	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2H+Na"	25.00377
"1262635"	412.144986	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+CH3OH+H"	33.033486
"381210"	797.186158	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+K"	38.963158
"745486"	1176.297658	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+K"	38.963158
"1545355"	418.074658	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+K"	38.963158
"304719"	399.096717	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+H+K"	39.970434
"693859"	588.652467	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+H+K"	39.970434
"1455336"	209.540967	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H+K"	39.970434
"245029"	800.256826	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+ACN+H"	42.033826
"1221019"	421.145326	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+ACN+H"	42.033826
"1202716"	211.076301	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+ACN+2H"	43.041102
"202148"	803.19416	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+2Na-H"	44.97116
"641709"	1182.30566	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+2Na-H"	44.97116
"1143030"	424.08266	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2Na-H"	44.97116
"183771"	402.100718	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+2Na"	45.978436
"622236"	591.656468	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+2Na"	45.978436
"1126107"	212.544968	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2Na"	45.978436
"1408173"	142.032404	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H+2Na"	46.985712
"1441746"	426.124246	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H+HCOOH"	47.012746
"232535"	407.13374	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+3H2O+2H"	56.04448
"1515128"	440.17629	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+IsoProp+H"	61.06479
"418826"	410.087688	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+Na+K"	61.952376
"773624"	599.643438	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+Na+K"	61.952376
"1680528"	220.531938	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Na+K"	61.952376
"266936"	822.238768	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+ACN+Na"	64.015768
"1235755"	443.127268	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+ACN+Na"	64.015768
"1721354"	443.150793	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+NH4+HCOOH"	64.039293
"1186708"	149.359718	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+3Na"	68.967654
"1656238"	448.106188	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Na+HCOOH"	68.994688
"164556"	835.14204	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+2K-H"	76.91904
"600112"	1214.25354	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+2K-H"	76.91904
"1087541"	456.03054	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2K-H"	76.91904
"145451"	418.074658	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"2M+2K"	77.926316
"585012"	607.630408	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"3M+2K"	77.926316
"1072806"	228.518908	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2K"	77.926316
"1108203"	458.045092	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2K+H"	78.933592
"1342401"	458.132707	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+DMSO+H"	79.021207
"1010931"	462.171876	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2ACN+H"	83.060376
"1529054"	463.165508	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+IsoProp+Na+H"	84.054008
"995505"	231.589576	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+2ACN+2H"	84.067652
"1592195"	464.080128	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+K+HCOOH"	84.968628
"1424418"	494.111638	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+H+CF3COOH"	115.000138
"1160172"	252.102851	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+3ACN+2H"	125.094202
"1700975"	511.138185	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+NH4+CF3COOH"	132.026685
"1634803"	516.09358	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+Na+CF3COOH"	136.98208
"1574466"	532.06752	"C01310"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine"	"C14H21NO11"	"379.1115"	"M+K+CF3COOH"	152.95602
"807019"	352.225	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M"	0
"981654"	333.20661	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"72083"	233.809390666667	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"507268"	351.217724	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"895160"	116.401057333333	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"10209"	351.217724	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"449768"	527.330224	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"827573"	175.105224	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"86471"	703.442724	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"529312"	1055.667724	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"902741"	351.217724	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"52743"	720.469271	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"493396"	1072.694271	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"869012"	368.244271	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"36913"	725.424666	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"478662"	1077.649666	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"859744"	373.199666	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1628185"	373.199666	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"104714"	369.206063	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"545369"	545.318563	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"933417"	193.093563	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"276717"	739.419402	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"670595"	1091.644402	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1282268"	387.194402	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"22636"	741.398606	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"463657"	1093.623606	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"835625"	389.173606	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1561665"	389.173606	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"949549"	397.223194	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"370685"	749.448201	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"351651"	763.463851	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1500118"	411.238851	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"962192"	419.205151	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"116568"	387.194402	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"556128"	563.306902	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1025292"	211.081902	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1245964"	431.143885	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1304354"	433.199872	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1325546"	455.181829	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"915510"	465.210586	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1295498"	501.187264	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1376949"	317.212324	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1396267"	335.2223	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"295224"	705.457276	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"685460"	1057.682276	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1361808"	353.232276	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H"	1.007276
"137981"	353.232276	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"578273"	529.344776	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1046344"	177.119776	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"206591"	235.823942666667	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"649431"	353.232276	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1166463"	118.415609333333	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"424747"	722.483823	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"791825"	1074.708823	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1689250"	370.258823	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"337522"	361.7455495	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"729945"	537.8580495	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1484860"	185.6330495	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"396980"	727.439218	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"761256"	1079.664218	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1609354"	375.214218	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"322671"	364.223247	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"715095"	540.335747	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1467822"	188.110747	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1061067"	125.742923333333	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1267122"	385.258486	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"379497"	743.413158	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"742314"	1095.638158	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1548746"	391.188158	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+K"	38.963158
"311391"	372.210217	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"702721"	548.322717	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1455444"	196.097717	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"247328"	746.483826	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1220036"	394.258826	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1205747"	197.633051	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"201168"	749.42116	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"633074"	1101.64616	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1140955"	397.19616	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"180963"	375.214218	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"622711"	551.326718	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1126216"	199.101718	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1407554"	133.070237333333	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1439669"	399.237746	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"230458"	380.24724	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1520342"	413.28979	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"411647"	383.201188	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"783581"	559.313688	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1678092"	207.088688	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"264978"	768.465768	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1230394"	416.240768	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1716003"	416.264293	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1187913"	140.397551333333	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1657807"	421.219688	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"161391"	781.36904	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"604233"	1133.59404	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1088742"	429.14404	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"147749"	391.188158	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"589497"	567.300658	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1074010"	215.075658	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1106125"	431.158592	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1345791"	431.246207	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1012132"	435.285376	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1530259"	436.279008	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"997802"	218.146326	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1589025"	437.193628	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1423434"	467.225138	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1158095"	238.659601	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1697439"	484.251685	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1635643"	489.20708	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1580046"	505.18102	"C01312"	"Prostaglandin I2;(5Z13E)-(15S)-69alpha-Epoxy-11alpha15-dihydroxyprosta-513-dienoate;Prostacyclin;PGI2;Epoprostenol"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"801903"	354.0886	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M"	0
"982857"	335.07021	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-H2O-H"	-19.01839
"70005"	235.051790666667	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M-3H"	-3.021828
"505554"	353.081324	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M-3H"	-3.021828
"890647"	117.022257333333	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-3H"	-3.021828
"10317"	353.081324	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M-2H"	-2.014552
"448782"	530.125624	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M-2H"	-2.014552
"828772"	176.037024	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-2H"	-2.014552
"86580"	707.169924	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M-H"	-1.007276
"526140"	1061.258524	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M-H"	-1.007276
"901756"	353.081324	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-H"	-1.007276
"52850"	724.196471	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M-2H+NH4"	16.019271
"491318"	1078.285071	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M-2H+NH4"	16.019271
"869120"	370.107871	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-2H+NH4"	16.019271
"37021"	729.151866	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M-2H+Na"	20.974666
"479865"	1083.240466	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M-2H+Na"	20.974666
"858760"	375.063266	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-2H+Na"	20.974666
"1626108"	375.063266	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Na-2H"	20.974666
"104824"	371.069663	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M-H+Cl"	33.962126
"546572"	548.113963	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M-H+Cl"	33.962126
"933527"	194.025363	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-H+Cl"	33.962126
"275367"	743.146602	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+Cl"	34.969402
"668882"	1097.235202	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+Cl"	34.969402
"1283107"	389.058002	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Cl"	34.969402
"20560"	745.125806	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M-2H+K"	36.948606
"464861"	1099.214406	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M-2H+K"	36.948606
"840110"	391.037206	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-2H+K"	36.948606
"1563962"	391.037206	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+K-2H"	36.948606
"949659"	399.086794	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-H+HCOOH"	44.998194
"371888"	753.175401	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+HCOOH-H"	44.998201
"355771"	767.191051	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+Hac-H"	59.013851
"1501322"	413.102451	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Hac-H"	59.013851
"964491"	421.068751	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-H+NaCOOH"	66.980151
"116679"	389.058002	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+2Cl"	69.938804
"556241"	566.102302	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+2Cl"	69.938804
"1026132"	212.013702	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2Cl"	69.938804
"1246074"	433.007485	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Br"	78.918885
"1304211"	435.063472	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Cl+HCOOH"	80.974872
"1325656"	457.045429	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Cl+NaCOOH"	102.956829
"914525"	467.074186	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M-H+CF3COOH"	112.985586
"1294515"	503.050864	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Cl+CF3COOH"	148.962264
"1377059"	319.075924	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H-2H2O"	-35.012676
"1397104"	337.0859	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H-H2O"	-17.0027
"296428"	709.184476	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+H"	1.007276
"682291"	1063.273076	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+H"	1.007276
"1361920"	355.095876	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H"	1.007276
"139185"	355.095876	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+2H"	2.014552
"573279"	532.140176	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+2H"	2.014552
"1045361"	178.051576	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2H"	2.014552
"209980"	237.066342666667	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+3H"	3.021828
"648448"	355.095876	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+3H"	3.021828
"1165479"	119.036809333333	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+3H"	3.021828
"426562"	726.211023	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+NH4"	18.033823
"791935"	1080.299623	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+NH4"	18.033823
"1688267"	372.122423	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+NH4"	18.033823
"340916"	363.6091495	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+H+NH4"	19.041099
"732244"	540.6534495	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+H+NH4"	19.041099
"1484971"	186.5648495	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H+NH4"	19.041099
"395996"	731.166418	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+Na"	22.989218
"762460"	1085.255018	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+Na"	22.989218
"1611654"	377.077818	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Na"	22.989218
"322783"	366.086847	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+H+Na"	23.996494
"713015"	543.131147	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+H+Na"	23.996494
"1470119"	189.042547	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H+Na"	23.996494
"1058992"	126.364123333333	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2H+Na"	25.00377
"1265046"	387.122086	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+CH3OH+H"	33.033486
"380700"	747.140358	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+K"	38.963158
"742424"	1101.228958	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+K"	38.963158
"1547762"	393.051758	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+K"	38.963158
"308220"	374.073817	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+H+K"	39.970434
"699549"	551.118117	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+H+K"	39.970434
"1451180"	197.029517	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H+K"	39.970434
"241970"	750.211026	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+ACN+H"	42.033826
"1215769"	396.122426	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+ACN+H"	42.033826
"1200751"	198.564851	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+ACN+2H"	43.041102
"201277"	753.14836	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+2Na-H"	44.97116
"640837"	1107.23696	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+2Na-H"	44.97116
"1139972"	399.05976	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2Na-H"	44.97116
"183261"	377.077818	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+2Na"	45.978436
"624645"	554.122118	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+2Na"	45.978436
"1126325"	200.033518	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2Na"	45.978436
"1405476"	133.691437333333	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H+2Na"	46.985712
"1437592"	401.101346	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H+HCOOH"	47.012746
"230202"	382.11084	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+3H2O+2H"	56.04448
"1518628"	415.15339	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+IsoProp+H"	61.06479
"411757"	385.064788	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+Na+K"	61.952376
"782962"	562.109088	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+Na+K"	61.952376
"1680389"	208.020488	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Na+K"	61.952376
"266546"	772.192968	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+ACN+Na"	64.015768
"1230142"	418.104368	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+ACN+Na"	64.015768
"1718300"	418.127893	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+NH4+HCOOH"	64.039293
"1185836"	141.018751333333	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+3Na"	68.967654
"1656824"	423.083288	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Na+HCOOH"	68.994688
"161501"	785.09624	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+2K-H"	76.91904
"598994"	1139.18484	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+2K-H"	76.91904
"1089946"	431.00764	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2K-H"	76.91904
"145671"	393.051758	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"2M+2K"	77.926316
"591794"	570.096058	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"3M+2K"	77.926316
"1077400"	216.007458	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2K"	77.926316
"1106235"	433.022192	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2K+H"	78.933592
"1348088"	433.109807	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+DMSO+H"	79.021207
"1011149"	437.148976	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2ACN+H"	83.060376
"1529277"	438.142608	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+IsoProp+Na+H"	84.054008
"997912"	219.078126	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+2ACN+2H"	84.067652
"1593508"	439.057228	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+K+HCOOH"	84.968628
"1423544"	469.088738	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+H+CF3COOH"	115.000138
"1158205"	239.591401	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+3ACN+2H"	125.094202
"1697915"	486.115285	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+NH4+CF3COOH"	132.026685
"1636117"	491.07068	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+Na+CF3COOH"	136.98208
"1580156"	507.04462	"C01313"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolylglycine"	"C15H18N2O6S"	"354.0886"	"M+K+CF3COOH"	152.95602
"802865"	368.1042	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M"	0
"981874"	349.08581	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-H2O-H"	-19.01839
"69022"	244.395524	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M-3H"	-3.021828
"507487"	367.096924	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M-3H"	-3.021828
"889664"	121.694124	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-3H"	-3.021828
"9332"	367.096924	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M-2H"	-2.014552
"445612"	551.149024	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M-2H"	-2.014552
"828882"	183.044824	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-2H"	-2.014552
"89969"	735.201124	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M-H"	-1.007276
"525157"	1103.305324	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M-H"	-1.007276
"904053"	367.096924	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-H"	-1.007276
"49680"	752.227671	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M-2H+NH4"	16.019271
"490333"	1120.331871	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M-2H+NH4"	16.019271
"870323"	384.123471	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-2H+NH4"	16.019271
"33851"	757.183066	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M-2H+Na"	20.974666
"479975"	1125.287266	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M-2H+Na"	20.974666
"858870"	389.078866	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-2H+Na"	20.974666
"1626218"	389.078866	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Na-2H"	20.974666
"104934"	385.085263	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M-H+Cl"	33.962126
"545588"	569.137363	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M-H+Cl"	33.962126
"931450"	201.033163	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-H+Cl"	33.962126
"275477"	771.177802	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+Cl"	34.969402
"665712"	1139.282002	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+Cl"	34.969402
"1282488"	403.073602	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Cl"	34.969402
"17631"	773.157006	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M-2H+K"	36.948606
"462784"	1141.261206	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M-2H+K"	36.948606
"839491"	405.052806	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-2H+K"	36.948606
"1564801"	405.052806	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+K-2H"	36.948606
"949769"	413.102394	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-H+HCOOH"	44.998194
"365069"	781.206601	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+HCOOH-H"	44.998201
"352963"	795.222251	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+Hac-H"	59.013851
"1498149"	427.118051	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Hac-H"	59.013851
"963140"	435.084351	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-H+NaCOOH"	66.980151
"114964"	403.073602	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+2Cl"	69.938804
"556349"	587.125702	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+2Cl"	69.938804
"1025509"	219.021502	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2Cl"	69.938804
"1242901"	447.023085	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Br"	78.918885
"1305715"	449.079072	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Cl+HCOOH"	80.974872
"1323943"	471.061029	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Cl+NaCOOH"	102.956829
"913542"	481.089786	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M-H+CF3COOH"	112.985586
"1292439"	517.066464	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Cl+CF3COOH"	148.962264
"1370598"	333.091524	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H-2H2O"	-35.012676
"1387001"	351.1015	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H-H2O"	-17.0027
"295079"	737.215676	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+H"	1.007276
"683495"	1105.319876	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+H"	1.007276
"1360937"	369.111476	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H"	1.007276
"137111"	369.111476	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+2H"	2.014552
"577764"	553.163576	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+2H"	2.014552
"1044378"	185.059376	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2H"	2.014552
"211185"	246.410076	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+3H"	3.021828
"649652"	369.111476	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+3H"	3.021828
"1163158"	123.708676	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+3H"	3.021828
"428132"	754.242223	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+NH4"	18.033823
"790952"	1122.346423	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+NH4"	18.033823
"1686191"	386.138023	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+NH4"	18.033823
"337748"	377.6247495	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+H+NH4"	19.041099
"731262"	561.6768495	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+H+NH4"	19.041099
"1483988"	193.5726495	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H+NH4"	19.041099
"398293"	759.197618	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+Na"	22.989218
"761477"	1127.301818	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+Na"	22.989218
"1611763"	391.093418	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Na"	22.989218
"323986"	380.102447	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+H+Na"	23.996494
"712032"	564.154547	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+H+Na"	23.996494
"1470230"	196.050347	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H+Na"	23.996494
"1060195"	131.03599	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2H+Na"	25.00377
"1262967"	401.137686	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+CH3OH+H"	33.033486
"380079"	775.171558	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+K"	38.963158
"742897"	1143.275758	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+K"	38.963158
"1546779"	407.067358	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+K"	38.963158
"306144"	388.089417	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+H+K"	39.970434
"699660"	572.141517	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+H+K"	39.970434
"1449105"	204.037317	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H+K"	39.970434
"239894"	778.242226	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+ACN+H"	42.033826
"1216975"	410.138026	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+ACN+H"	42.033826
"1201954"	205.572651	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+ACN+2H"	43.041102
"202116"	781.17956	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+2Na-H"	44.97116
"640946"	1149.28376	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+2Na-H"	44.97116
"1142998"	413.07536	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2Na-H"	44.97116
"183372"	391.093418	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+2Na"	45.978436
"624026"	575.145518	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+2Na"	45.978436
"1126437"	207.041318	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2Na"	45.978436
"1407408"	138.363304	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H+2Na"	46.985712
"1438431"	415.116946	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H+HCOOH"	47.012746
"230312"	396.12644	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+3H2O+2H"	56.04448
"1518374"	429.16899	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+IsoProp+H"	61.06479
"415147"	399.080388	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+Na+K"	61.952376
"782707"	583.132488	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+Na+K"	61.952376
"1680624"	215.028288	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Na+K"	61.952376
"265929"	800.224168	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+ACN+Na"	64.015768
"1235719"	432.119968	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+ACN+Na"	64.015768
"1721690"	432.143493	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+NH4+HCOOH"	64.039293
"1188862"	145.690618	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+3Na"	68.967654
"1660214"	437.098888	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Na+HCOOH"	68.994688
"160881"	813.12744	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+2K-H"	76.91904
"600076"	1181.23164	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+2K-H"	76.91904
"1093336"	445.02324	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2K-H"	76.91904
"146874"	407.067358	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"2M+2K"	77.926316
"595183"	591.119458	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"3M+2K"	77.926316
"1078604"	223.015258	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2K"	77.926316
"1111812"	447.037792	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2K+H"	78.933592
"1350385"	447.125407	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+DMSO+H"	79.021207
"1011259"	451.164576	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2ACN+H"	83.060376
"1528293"	452.158208	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+IsoProp+Na+H"	84.054008
"995835"	226.085926	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+2ACN+2H"	84.067652
"1593618"	453.072828	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+K+HCOOH"	84.968628
"1425840"	483.104338	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+H+CF3COOH"	115.000138
"1150660"	246.599201	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+3ACN+2H"	125.094202
"1697660"	500.130885	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+NH4+CF3COOH"	132.026685
"1635496"	505.08628	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+Na+CF3COOH"	136.98208
"1583546"	521.06022	"C01314"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl-(S)-alanine"	"C16H20N2O6S"	"368.1042"	"M+K+CF3COOH"	152.95602
"807349"	486.1461	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M"	0
"980891"	467.12771	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-H2O-H"	-19.01839
"72412"	323.090124	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M-3H"	-3.021828
"508691"	485.138824	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M-3H"	-3.021828
"888681"	161.041424	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-3H"	-3.021828
"9442"	485.138824	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M-2H"	-2.014552
"445722"	728.211874	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M-2H"	-2.014552
"827899"	242.065774	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-2H"	-2.014552
"87894"	971.284924	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M-H"	-1.007276
"524174"	1457.431024	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M-H"	-1.007276
"901977"	485.138824	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-H"	-1.007276
"47277"	988.311471	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M-2H+NH4"	16.019271
"489350"	1474.457571	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M-2H+NH4"	16.019271
"869340"	502.165371	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-2H+NH4"	16.019271
"36151"	993.266866	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M-2H+Na"	20.974666
"476805"	1479.412966	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M-2H+Na"	20.974666
"854606"	507.120766	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-2H+Na"	20.974666
"1630701"	507.120766	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Na-2H"	20.974666
"106138"	503.127163	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M-H+Cl"	33.962126
"546792"	746.200213	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M-H+Cl"	33.962126
"931560"	260.054113	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-H+Cl"	33.962126
"275587"	1007.261602	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+Cl"	34.969402
"670196"	1493.407702	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+Cl"	34.969402
"1282599"	521.115502	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Cl"	34.969402
"17620"	1009.240806	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M-2H+K"	36.948606
"463623"	1495.386906	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M-2H+K"	36.948606
"838507"	523.094706	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-2H+K"	36.948606
"1564911"	523.094706	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+K-2H"	36.948606
"947691"	531.144294	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-H+HCOOH"	44.998194
"373198"	1017.290401	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+HCOOH-H"	44.998201
"353804"	1031.306051	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+Hac-H"	59.013851
"1497894"	545.159951	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Hac-H"	59.013851
"965803"	553.126251	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-H+NaCOOH"	66.980151
"114346"	521.115502	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+2Cl"	69.938804
"558646"	764.188552	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+2Cl"	69.938804
"1025985"	278.042452	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2Cl"	69.938804
"1243376"	565.064985	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Br"	78.918885
"1305824"	567.120972	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Cl+HCOOH"	80.974872
"1322593"	589.102929	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Cl+NaCOOH"	102.956829
"915474"	599.131686	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M-H+CF3COOH"	112.985586
"1292548"	635.108364	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Cl+CF3COOH"	148.962264
"1371801"	451.133424	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H-2H2O"	-35.012676
"1394767"	469.1434	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H-H2O"	-17.0027
"297012"	973.299476	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+H"	1.007276
"685791"	1459.445576	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+H"	1.007276
"1362139"	487.153376	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H"	1.007276
"138315"	487.153376	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+2H"	2.014552
"576415"	730.226426	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+2H"	2.014552
"1048860"	244.080326	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2H"	2.014552
"212387"	325.104676	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+3H"	3.021828
"650854"	487.153376	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+3H"	3.021828
"1170074"	163.055976	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+3H"	3.021828
"428972"	990.326023	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+NH4"	18.033823
"790333"	1476.472123	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+NH4"	18.033823
"1684113"	504.179923	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+NH4"	18.033823
"338948"	495.6666495	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+H+NH4"	19.041099
"728455"	738.7396995	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+H+NH4"	19.041099
"1484097"	252.5935995	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H+NH4"	19.041099
"399497"	995.281418	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+Na"	22.989218
"761589"	1481.427518	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+Na"	22.989218
"1610781"	509.135318	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Na"	22.989218
"323732"	498.144347	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+H+Na"	23.996494
"712142"	741.217397	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+H+Na"	23.996494
"1470341"	255.071297	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H+Na"	23.996494
"1061399"	170.38329	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2H+Na"	25.00377
"1262347"	519.179586	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+CH3OH+H"	33.033486
"381649"	1011.255358	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+K"	38.963158
"744830"	1497.401458	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+K"	38.963158
"1545796"	525.109258	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+K"	38.963158
"304067"	506.131317	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+H+K"	39.970434
"699770"	749.204367	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+H+K"	39.970434
"1451400"	263.058267	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H+K"	39.970434
"245472"	1014.326026	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+ACN+H"	42.033826
"1214896"	528.179926	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+ACN+H"	42.033826
"1200969"	264.593601	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+ACN+2H"	43.041102
"197122"	1017.26336	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+2Na-H"	44.97116
"639961"	1503.40946	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+2Na-H"	44.97116
"1141285"	531.11726	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2Na-H"	44.97116
"184574"	509.135318	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+2Na"	45.978436
"624136"	752.208368	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+2Na"	45.978436
"1130074"	266.062268	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2Na"	45.978436
"1409706"	177.710604	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H+2Na"	46.985712
"1441458"	533.158846	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H+HCOOH"	47.012746
"230058"	514.16834	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+3H2O+2H"	56.04448
"1521402"	547.21089	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+IsoProp+H"	61.06479
"416350"	517.122288	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+Na+K"	61.952376
"782452"	760.195338	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+Na+K"	61.952376
"1673677"	274.049238	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Na+K"	61.952376
"266036"	1036.307968	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+ACN+Na"	64.015768
"1235829"	550.161868	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+ACN+Na"	64.015768
"1725082"	550.185393	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+NH4+HCOOH"	64.039293
"1188973"	185.037918	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+3Na"	68.967654
"1658138"	555.140788	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Na+HCOOH"	68.994688
"165001"	1049.21124	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+2K-H"	76.91904
"599458"	1535.35734	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+2K-H"	76.91904
"1089071"	563.06514	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2K-H"	76.91904
"149172"	525.109258	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"2M+2K"	77.926316
"592014"	768.182308	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"3M+2K"	77.926316
"1083088"	282.036208	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2K"	77.926316
"1108642"	565.079692	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2K+H"	78.933592
"1345028"	565.167307	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+DMSO+H"	79.021207
"1012463"	569.206476	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2ACN+H"	83.060376
"1532777"	570.200108	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+IsoProp+Na+H"	84.054008
"998132"	285.106876	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+2ACN+2H"	84.067652
"1595915"	571.114728	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+K+HCOOH"	84.968628
"1425950"	601.146238	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+H+CF3COOH"	115.000138
"1154050"	305.620151	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+3ACN+2H"	125.094202
"1698133"	618.172785	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+NH4+CF3COOH"	132.026685
"1637065"	623.12818	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+Na+CF3COOH"	136.98208
"1583656"	639.10212	"C01315"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolylglycine benzyl ester"	"C24H26N2O7S"	"486.1461"	"M+K+CF3COOH"	152.95602
"804179"	500.1617	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M"	0
"986829"	481.14331	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-H2O-H"	-19.01839
"69242"	332.433857333333	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M-3H"	-3.021828
"510986"	499.154424	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M-3H"	-3.021828
"881136"	165.713290666667	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-3H"	-3.021828
"397"	499.154424	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M-2H"	-2.014552
"443644"	749.235274	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M-2H"	-2.014552
"828008"	249.073574	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-2H"	-2.014552
"85812"	999.316124	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M-H"	-1.007276
"526470"	1499.477824	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M-H"	-1.007276
"896493"	499.154424	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-H"	-1.007276
"48071"	1016.342671	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M-2H+NH4"	16.019271
"487473"	1516.504371	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M-2H+NH4"	16.019271
"864947"	516.180971	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-2H+NH4"	16.019271
"31569"	1021.298066	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M-2H+Na"	20.974666
"471411"	1521.459766	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M-2H+Na"	20.974666
"851435"	521.136366	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-2H+Na"	20.974666
"1618479"	521.136366	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Na-2H"	20.974666
"102964"	517.142763	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M-H+Cl"	33.962126
"543621"	767.223613	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M-H+Cl"	33.962126
"932764"	267.061913	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-H+Cl"	33.962126
"270592"	1035.292802	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+Cl"	34.969402
"661190"	1535.454502	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+Cl"	34.969402
"1272877"	535.131102	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Cl"	34.969402
"15828"	1037.272006	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M-2H+K"	36.948606
"458262"	1537.433706	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M-2H+K"	36.948606
"833877"	537.110306	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-2H+K"	36.948606
"1555714"	537.110306	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+K-2H"	36.948606
"943419"	545.159894	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-H+HCOOH"	44.998194
"363096"	1045.321601	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+HCOOH-H"	44.998201
"349535"	1059.337251	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+Hac-H"	59.013851
"1497275"	559.175551	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Hac-H"	59.013851
"960807"	567.141851	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-H+NaCOOH"	66.980151
"115913"	535.131102	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+2Cl"	69.938804
"560577"	785.211952	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+2Cl"	69.938804
"1028646"	285.050252	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2Cl"	69.938804
"1248228"	579.080585	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Br"	78.918885
"1306300"	581.136572	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Cl+HCOOH"	80.974872
"1323431"	603.118529	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Cl+NaCOOH"	102.956829
"918136"	613.147286	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M-H+CF3COOH"	112.985586
"1293752"	649.123964	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Cl+CF3COOH"	148.962264
"1371911"	465.149024	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H-2H2O"	-35.012676
"1394877"	483.159	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H-H2O"	-17.0027
"297365"	1001.330676	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+H"	1.007276
"689181"	1501.492376	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+H"	1.007276
"1364436"	501.168976	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H"	1.007276
"140248"	501.168976	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+2H"	2.014552
"578713"	751.249826	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+2H"	2.014552
"1047879"	251.088126	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2H"	2.014552
"212497"	334.448409333333	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+3H"	3.021828
"650964"	501.168976	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+3H"	3.021828
"1171277"	167.727842666667	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+3H"	3.021828
"429081"	1018.357223	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+NH4"	18.033823
"790807"	1518.518923	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+NH4"	18.033823
"1685315"	518.195523	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+NH4"	18.033823
"337966"	509.6822495	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+H+NH4"	19.041099
"729294"	759.7630995	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+H+NH4"	19.041099
"1484207"	259.6013995	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H+NH4"	19.041099
"397421"	1023.312618	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+Na"	22.989218
"761699"	1523.474318	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+Na"	22.989218
"1609798"	523.150918	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Na"	22.989218
"323842"	512.159947	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+H+Na"	23.996494
"712252"	762.240797	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+H+Na"	23.996494
"1468262"	262.079097	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H+Na"	23.996494
"1060414"	175.055156666667	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2H+Na"	25.00377
"1262095"	533.195186	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+CH3OH+H"	33.033486
"377384"	1039.286558	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+K"	38.963158
"740203"	1539.448258	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+K"	38.963158
"1543720"	539.124858	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+K"	38.963158
"305272"	520.146917	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+H+K"	39.970434
"692226"	770.227767	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+H+K"	39.970434
"1449325"	270.066067	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H+K"	39.970434
"243397"	1042.357226	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+ACN+H"	42.033826
"1215009"	542.195526	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+ACN+H"	42.033826
"1198893"	271.601401	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+ACN+2H"	43.041102
"197232"	1045.29456	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+2Na-H"	44.97116
"638978"	1545.45626	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+2Na-H"	44.97116
"1139206"	545.13286	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2Na-H"	44.97116
"180310"	523.150918	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+2Na"	45.978436
"622787"	773.231768	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+2Na"	45.978436
"1127752"	273.070068	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2Na"	45.978436
"1404712"	182.382470666667	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H+2Na"	46.985712
"1438651"	547.174446	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H+HCOOH"	47.012746
"230168"	528.18394	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+3H2O+2H"	56.04448
"1519688"	561.22649	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+IsoProp+H"	61.06479
"412087"	531.137888	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+Na+K"	61.952376
"782198"	781.218738	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+Na+K"	61.952376
"1671600"	281.057038	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Na+K"	61.952376
"265418"	1064.339168	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+ACN+Na"	64.015768
"1234116"	564.177468	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+ACN+Na"	64.015768
"1725192"	564.200993	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+NH4+HCOOH"	64.039293
"1188354"	189.709784666667	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+3Na"	68.967654
"1658248"	569.156388	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Na+HCOOH"	68.994688
"160737"	1077.24244	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+2K-H"	76.91904
"601392"	1577.40414	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+2K-H"	76.91904
"1090276"	577.08074	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2K-H"	76.91904
"146002"	539.124858	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"2M+2K"	77.926316
"586657"	789.205708	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"3M+2K"	77.926316
"1079917"	289.044008	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2K"	77.926316
"1103284"	579.095292	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2K+H"	78.933592
"1345138"	579.182907	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+DMSO+H"	79.021207
"1008563"	583.222076	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2ACN+H"	83.060376
"1532887"	584.215708	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+IsoProp+Na+H"	84.054008
"998242"	292.114676	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+2ACN+2H"	84.067652
"1596025"	585.130328	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+K+HCOOH"	84.968628
"1422780"	615.161838	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+H+CF3COOH"	115.000138
"1154160"	312.627951	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+3ACN+2H"	125.094202
"1697273"	632.188385	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+NH4+CF3COOH"	132.026685
"1635352"	637.14378	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+Na+CF3COOH"	136.98208
"1580486"	653.11772	"C01316"	"(S)-N-3-(34-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl-(S)-alanine benzyl ester"	"C25H28N2O7S"	"500.1617"	"M+K+CF3COOH"	152.95602
"802830"	201.9706	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M"	0
"987667"	182.95221	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-H2O-H"	-19.01839
"73725"	133.639790666667	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M-3H"	-3.021828
"511098"	200.963324	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M-3H"	-3.021828
"880311"	66.3162573333333	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-3H"	-3.021828
"7475"	200.963324	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M-2H"	-2.014552
"449222"	301.948624	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M-2H"	-2.014552
"825933"	99.978024	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-2H"	-2.014552
"90298"	402.933924	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M-H"	-1.007276
"529859"	604.904524	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M-H"	-1.007276
"898913"	200.963324	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-H"	-1.007276
"48915"	419.960471	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M-2H+NH4"	16.019271
"488473"	621.931071	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M-2H+NH4"	16.019271
"864937"	217.989871	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-2H+NH4"	16.019271
"32115"	424.915866	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M-2H+Na"	20.974666
"471951"	626.886466	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M-2H+Na"	20.974666
"851544"	222.945266	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-2H+Na"	20.974666
"1619051"	222.945266	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Na-2H"	20.974666
"103074"	218.951663	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M-H+Cl"	33.962126
"543730"	319.936963	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M-H+Cl"	33.962126
"935060"	117.966363	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-H+Cl"	33.962126
"271432"	438.910602	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+Cl"	34.969402
"665310"	640.881202	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+Cl"	34.969402
"1273945"	236.940002	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Cl"	34.969402
"16257"	440.889806	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M-2H+K"	36.948606
"457277"	642.860406	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M-2H+K"	36.948606
"834106"	238.919206	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-2H+K"	36.948606
"1557837"	238.919206	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+K-2H"	36.948606
"943531"	246.968794	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-H+HCOOH"	44.998194
"363205"	448.939401	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+HCOOH-H"	44.998201
"349279"	462.955051	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+Hac-H"	59.013851
"1498113"	260.984451	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Hac-H"	59.013851
"961645"	268.950751	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-H+NaCOOH"	66.980151
"116751"	236.940002	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+2Cl"	69.938804
"559958"	337.925302	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+2Cl"	69.938804
"1028756"	135.954702	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2Cl"	69.938804
"1247608"	280.889485	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Br"	78.918885
"1307504"	282.945472	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Cl+HCOOH"	80.974872
"1324635"	304.927429	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Cl+NaCOOH"	102.956829
"916423"	314.956186	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M-H+CF3COOH"	112.985586
"1292769"	350.932864	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Cl+CF3COOH"	148.962264
"1369834"	166.957924	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H-2H2O"	-35.012676
"1393893"	184.9679	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H-H2O"	-17.0027
"296868"	404.948476	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+H"	1.007276
"688929"	606.919076	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+H"	1.007276
"1364546"	202.977876	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H"	1.007276
"139628"	202.977876	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+2H"	2.014552
"576999"	303.963176	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+2H"	2.014552
"1047988"	101.992576	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2H"	2.014552
"212608"	135.654342666667	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+3H"	3.021828
"649252"	202.977876	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+3H"	3.021828
"1170296"	68.3308093333333	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+3H"	3.021828
"429556"	421.975023	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+NH4"	18.033823
"791282"	623.945623	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+NH4"	18.033823
"1686156"	220.004423	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+NH4"	18.033823
"338076"	211.4911495	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+H+NH4"	19.041099
"730498"	312.4764495	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+H+NH4"	19.041099
"1483224"	110.5058495	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H+NH4"	19.041099
"397530"	426.930418	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+Na"	22.989218
"761809"	628.901018	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+Na"	22.989218
"1609908"	224.959818	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Na"	22.989218
"324316"	213.968847	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+H+Na"	23.996494
"712726"	314.954147	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+H+Na"	23.996494
"1469465"	112.983547	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H+Na"	23.996494
"1064534"	75.6581233333333	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2H+Na"	25.00377
"1262205"	235.004086	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+CH3OH+H"	33.033486
"378346"	442.904358	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+K"	38.963158
"742138"	644.874958	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+K"	38.963158
"1543830"	240.933758	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+K"	38.963158
"304288"	221.955817	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+H+K"	39.970434
"698898"	322.941117	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+H+K"	39.970434
"1452716"	120.970517	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H+K"	39.970434
"242413"	445.975026	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+ACN+H"	42.033826
"1215119"	244.004426	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+ACN+H"	42.033826
"1201190"	122.505851	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+ACN+2H"	43.041102
"195155"	448.91236	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+2Na-H"	44.97116
"640182"	650.88296	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+2Na-H"	44.97116
"1138223"	246.94176	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2Na-H"	44.97116
"182608"	224.959818	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+2Na"	45.978436
"622899"	325.945118	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+2Na"	45.978436
"1124581"	123.974518	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2Na"	45.978436
"1404821"	82.9854373333333	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H+2Na"	46.985712
"1436939"	248.983346	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H+HCOOH"	47.012746
"229914"	229.99284	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+3H2O+2H"	56.04448
"1517977"	263.03539	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+IsoProp+H"	61.06479
"412197"	232.946788	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+Na+K"	61.952376
"781943"	333.932088	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+Na+K"	61.952376
"1669524"	131.961488	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Na+K"	61.952376
"265891"	467.956968	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+ACN+Na"	64.015768
"1238601"	265.986368	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+ACN+Na"	64.015768
"1723115"	266.009893	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+NH4+HCOOH"	64.039293
"1191018"	90.3127513333333	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+3Na"	68.967654
"1664556"	270.965288	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Na+HCOOH"	68.994688
"165222"	480.86024	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+2K-H"	76.91904
"612074"	682.83084	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+2K-H"	76.91904
"1090388"	278.88964	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2K-H"	76.91904
"154861"	240.933758	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"2M+2K"	77.926316
"592234"	341.919058	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"3M+2K"	77.926316
"1080028"	139.948458	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2K"	77.926316
"1105580"	280.904192	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2K+H"	78.933592
"1341967"	280.991807	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+DMSO+H"	79.021207
"1007942"	285.030976	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2ACN+H"	83.060376
"1532996"	286.024608	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+IsoProp+Na+H"	84.054008
"996165"	143.019126	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+2ACN+2H"	84.067652
"1598322"	286.939228	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+K+HCOOH"	84.968628
"1420703"	316.970738	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+H+CF3COOH"	115.000138
"1154270"	163.532401	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+3ACN+2H"	125.094202
"1697138"	333.997285	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+NH4+CF3COOH"	132.026685
"1635096"	338.95268	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+Na+CF3COOH"	136.98208
"1580596"	354.92662	"C01319"	"Hg;Mercury;Elemental mercury"	"Hg"	"201.9706"	"M+K+CF3COOH"	152.95602
"810962"	78.9183	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M"	0
"985593"	59.89991	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-H2O-H"	-19.01839
"68364"	51.604924	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M-3H"	-3.021828
"510111"	77.911024	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M-3H"	-3.021828
"889007"	25.298824	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-3H"	-3.021828
"5398"	77.911024	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M-2H"	-2.014552
"451521"	117.370174	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M-2H"	-2.014552
"828229"	38.451874	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-2H"	-2.014552
"84940"	156.829324	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M-H"	-1.007276
"518911"	235.747624	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M-H"	-1.007276
"897924"	77.911024	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-H"	-1.007276
"52303"	173.855871	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M-2H+NH4"	16.019271
"490039"	252.774171	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M-2H+NH4"	16.019271
"866744"	94.937571	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-2H+NH4"	16.019271
"33068"	178.811266	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M-2H+Na"	20.974666
"473477"	257.729566	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M-2H+Na"	20.974666
"853841"	99.892966	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-2H+Na"	20.974666
"1626656"	99.892966	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Na-2H"	20.974666
"104282"	95.899363	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M-H+Cl"	33.962126
"541655"	135.358513	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M-H+Cl"	33.962126
"931161"	56.440213	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-H+Cl"	33.962126
"271905"	192.806002	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+Cl"	34.969402
"663598"	271.724302	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+Cl"	34.969402
"1276367"	113.887702	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Cl"	34.969402
"22203"	194.785206	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M-2H+K"	36.948606
"461766"	273.703506	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M-2H+K"	36.948606
"841752"	115.866906	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-2H+K"	36.948606
"1564147"	115.866906	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+K-2H"	36.948606
"944739"	123.916494	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-H+HCOOH"	44.998194
"364410"	202.834801	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+HCOOH-H"	44.998201
"347931"	216.850451	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+Hac-H"	59.013851
"1502962"	137.932151	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Hac-H"	59.013851
"966131"	145.898451	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-H+NaCOOH"	66.980151
"116131"	113.887702	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+2Cl"	69.938804
"560066"	153.346852	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+2Cl"	69.938804
"1030324"	74.428552	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2Cl"	69.938804
"1250632"	157.837185	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Br"	78.918885
"1307614"	159.893172	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Cl+HCOOH"	80.974872
"1325107"	181.875129	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Cl+NaCOOH"	102.956829
"914343"	191.903886	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M-H+CF3COOH"	112.985586
"1291052"	227.880564	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Cl+CF3COOH"	148.962264
"1375417"	43.905624	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H-2H2O"	-35.012676
"1391827"	61.9156	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H-H2O"	-17.0027
"294795"	158.843876	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+H"	1.007276
"689038"	237.762176	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+H"	1.007276
"1363564"	79.925576	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H"	1.007276
"139737"	79.925576	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+2H"	2.014552
"574922"	119.384726	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+2H"	2.014552
"1049920"	40.466426	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2H"	2.014552
"213812"	53.619476	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+3H"	3.021828
"649001"	79.925576	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+3H"	3.021828
"1168217"	27.313376	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+3H"	3.021828
"430396"	175.870423	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+NH4"	18.033823
"791756"	254.788723	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+NH4"	18.033823
"1685173"	96.952123	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+NH4"	18.033823
"332719"	88.4388495	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+H+NH4"	19.041099
"728424"	127.8979995	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+H+NH4"	19.041099
"1484432"	48.9796995	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H+NH4"	19.041099
"403110"	180.825818	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+Na"	22.989218
"763012"	259.744118	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+Na"	22.989218
"1612204"	101.907518	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Na"	22.989218
"318958"	90.916547	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+H+Na"	23.996494
"714660"	130.375697	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+H+Na"	23.996494
"1464108"	51.457397	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H+Na"	23.996494
"1056259"	34.64069	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2H+Na"	25.00377
"1264502"	111.951786	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+CH3OH+H"	33.033486
"383076"	196.799758	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+K"	38.963158
"746261"	275.718058	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+K"	38.963158
"1550502"	117.881458	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+K"	38.963158
"306586"	98.903517	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+H+K"	39.970434
"700100"	138.362667	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+H+K"	39.970434
"1452827"	59.444367	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H+K"	39.970434
"242525"	199.870426	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+ACN+H"	42.033826
"1212317"	120.952126	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+ACN+H"	42.033826
"1200208"	60.979701	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+ACN+2H"	43.041102
"198548"	202.80776	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+2Na-H"	44.97116
"635920"	281.72606	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+2Na-H"	44.97116
"1138335"	123.88946	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2Na-H"	44.97116
"180532"	101.907518	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+2Na"	45.978436
"621181"	141.366668	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+2Na"	45.978436
"1122503"	62.448368	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2Na"	45.978436
"1402743"	41.968004	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H+2Na"	46.985712
"1434859"	125.931046	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H+HCOOH"	47.012746
"222366"	106.94054	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+3H2O+2H"	56.04448
"1513718"	139.98309	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+IsoProp+H"	61.06479
"423942"	109.894488	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+Na+K"	61.952376
"784609"	149.353638	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+Na+K"	61.952376
"1676201"	70.435338	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Na+K"	61.952376
"263450"	221.852368	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+ACN+Na"	64.015768
"1236888"	142.934068	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+ACN+Na"	64.015768
"1723587"	142.957593	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+NH4+HCOOH"	64.039293
"1191128"	49.295318	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+3Na"	68.967654
"1660655"	147.912988	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Na+HCOOH"	68.994688
"160956"	234.75564	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+2K-H"	76.91904
"601612"	313.67394	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+2K-H"	76.91904
"1089406"	155.83734	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2K-H"	76.91904
"154971"	117.881458	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"2M+2K"	77.926316
"594168"	157.340608	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"3M+2K"	77.926316
"1077951"	78.422308	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2K"	77.926316
"1108972"	157.851892	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2K+H"	78.933592
"1345357"	157.939507	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+DMSO+H"	79.021207
"1016074"	161.978676	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2ACN+H"	83.060376
"1534199"	162.972308	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+IsoProp+Na+H"	84.054008
"1001740"	81.492976	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+2ACN+2H"	84.067652
"1601590"	163.886928	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+K+HCOOH"	84.968628
"1424090"	193.918438	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+H+CF3COOH"	115.000138
"1154380"	102.006251	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+3ACN+2H"	125.094202
"1697369"	210.944985	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+NH4+CF3COOH"	132.026685
"1645055"	215.90038	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+Na+CF3COOH"	136.98208
"1580708"	231.87432	"C01324"	"Bromide;Br-"	"Br"	"78.9183"	"M+K+CF3COOH"	152.95602
"811072"	27.0109	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M"	0
"985703"	7.99251	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-H2O-H"	-19.01839
"65559"	16.9999906666667	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M-3H"	-3.021828
"511314"	26.003624	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M-3H"	-3.021828
"889116"	7.99635733333333	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-3H"	-3.021828
"7695"	26.003624	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M-2H"	-2.014552
"450536"	39.509074	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M-2H"	-2.014552
"830526"	12.498174	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-2H"	-2.014552
"88329"	53.014524	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M-H"	-1.007276
"523518"	80.025424	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M-H"	-1.007276
"900223"	26.003624	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-H"	-1.007276
"57878"	70.041071	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M-2H+NH4"	16.019271
"490514"	97.051971	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M-2H+NH4"	16.019271
"866494"	43.030171	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-2H+NH4"	16.019271
"33302"	74.996466	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M-2H+Na"	20.974666
"472739"	102.007366	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M-2H+Na"	20.974666
"853951"	47.985566	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-2H+Na"	20.974666
"1630046"	47.985566	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Na-2H"	20.974666
"104392"	43.991963	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M-H+Cl"	33.962126
"540672"	57.497413	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M-H+Cl"	33.962126
"929205"	30.486513	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-H+Cl"	33.962126
"272744"	88.991202	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+Cl"	34.969402
"663708"	116.002102	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+Cl"	34.969402
"1279756"	61.980302	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Cl"	34.969402
"22313"	90.970406	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M-2H+K"	36.948606
"462968"	117.981306	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M-2H+K"	36.948606
"838948"	63.959506	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-2H+K"	36.948606
"1560248"	63.959506	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+K-2H"	36.948606
"944120"	72.009094	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-H+HCOOH"	44.998194
"364520"	99.020001	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+HCOOH-H"	44.998201
"349497"	113.035651	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+Hac-H"	59.013851
"1503072"	86.024751	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Hac-H"	59.013851
"964054"	93.991051	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-H+NaCOOH"	66.980151
"116241"	61.980302	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+2Cl"	69.938804
"560176"	75.485752	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+2Cl"	69.938804
"1030070"	48.474852	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2Cl"	69.938804
"1248555"	105.929785	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Br"	78.918885
"1306995"	107.985772	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Cl+HCOOH"	80.974872
"1327403"	129.967729	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Cl+NaCOOH"	102.956829
"915548"	139.996486	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M-H+CF3COOH"	112.985586
"1294078"	175.973164	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Cl+CF3COOH"	148.962264
"1375527"	-8.001776	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H-2H2O"	-35.012676
"1391937"	10.0082	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H-H2O"	-17.0027
"297092"	55.029076	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+H"	1.007276
"689148"	82.039976	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+H"	1.007276
"1363674"	28.018176	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H"	1.007276
"137660"	28.018176	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+2H"	2.014552
"576127"	41.523626	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+2H"	2.014552
"1047115"	14.512726	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2H"	2.014552
"212830"	19.0145426666667	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+3H"	3.021828
"648382"	28.018176	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+3H"	3.021828
"1168327"	10.0109093333333	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+3H"	3.021828
"426255"	72.055623	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+NH4"	18.033823
"789317"	99.066523	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+NH4"	18.033823
"1682488"	45.044723	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+NH4"	18.033823
"330644"	36.5314495	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+H+NH4"	19.041099
"726347"	50.0368995	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+H+NH4"	19.041099
"1482354"	23.0259995	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H+NH4"	19.041099
"399940"	77.011018	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+Na"	22.989218
"760935"	104.021918	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+Na"	22.989218
"1611221"	50.000118	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Na"	22.989218
"320161"	39.009147	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+H+Na"	23.996494
"712583"	52.514597	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+H+Na"	23.996494
"1464218"	25.503697	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H+Na"	23.996494
"1055277"	17.3382233333333	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2H+Na"	25.00377
"1261332"	60.044386	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+CH3OH+H"	33.033486
"383186"	92.984958	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+K"	38.963158
"744184"	119.995858	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+K"	38.963158
"1549518"	65.974058	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+K"	38.963158
"306696"	46.996117	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+H+K"	39.970434
"700209"	60.501567	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+H+K"	39.970434
"1452937"	33.490667	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H+K"	39.970434
"244822"	96.055626	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+ACN+H"	42.033826
"1215343"	69.044726	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+ACN+H"	42.033826
"1201410"	35.026001	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+ACN+2H"	43.041102
"198658"	98.99296	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+2Na-H"	44.97116
"636030"	126.00386	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+2Na-H"	44.97116
"1139538"	71.98206	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2Na-H"	44.97116
"179546"	50.000118	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+2Na"	45.978436
"626760"	63.505568	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+2Na"	45.978436
"1124799"	36.494668	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2Na"	45.978436
"1407227"	24.6655373333333	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H+2Na"	46.985712
"1436061"	74.023646	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H+HCOOH"	47.012746
"224666"	55.03314	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+3H2O+2H"	56.04448
"1513828"	88.07569	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+IsoProp+H"	61.06479
"423360"	57.987088	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+Na+K"	61.952376
"783990"	71.492538	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+Na+K"	61.952376
"1673031"	44.481638	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Na+K"	61.952376
"259550"	118.037568	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+ACN+Na"	64.015768
"1234447"	91.026668	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+ACN+Na"	64.015768
"1722239"	91.050193	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+NH4+HCOOH"	64.039293
"1191602"	31.9928513333333	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+3Na"	68.967654
"1664898"	96.005588	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Na+HCOOH"	68.994688
"163255"	130.94084	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+2K-H"	76.91904
"602814"	157.95174	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+2K-H"	76.91904
"1090609"	103.92994	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2K-H"	76.91904
"154721"	65.974058	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"2M+2K"	77.926316
"595979"	79.479508	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"3M+2K"	77.926316
"1076967"	52.468608	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2K"	77.926316
"1109082"	105.944492	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2K+H"	78.933592
"1338906"	106.032107	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+DMSO+H"	79.021207
"1016184"	110.071276	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2ACN+H"	83.060376
"1535403"	111.064908	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+IsoProp+Na+H"	84.054008
"1003553"	55.539276	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+2ACN+2H"	84.067652
"1602309"	111.979528	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+K+HCOOH"	84.968628
"1422013"	142.011038	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+H+CF3COOH"	115.000138
"1152302"	76.052551	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+3ACN+2H"	125.094202
"1697601"	159.037585	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+NH4+CF3COOH"	132.026685
"1638604"	163.99298	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+Na+CF3COOH"	136.98208
"1580818"	179.96692	"C01326"	"Hydrogen cyanide;HCN;Cyanide"	"CHN"	"27.0109"	"M+K+CF3COOH"	152.95602
"811182"	35.9767	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M"	0
"988001"	16.95831	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-H2O-H"	-19.01839
"70775"	22.9771906666667	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M-3H"	-3.021828
"514708"	34.969424	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M-3H"	-3.021828
"893605"	10.9849573333333	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-3H"	-3.021828
"11090"	34.969424	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M-2H"	-2.014552
"454296"	52.957774	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M-2H"	-2.014552
"829546"	16.981074	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-2H"	-2.014552
"90626"	70.946124	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M-H"	-1.007276
"525814"	106.922824	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M-H"	-1.007276
"903614"	34.969424	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-H"	-1.007276
"61270"	87.972671	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M-2H+NH4"	16.019271
"490624"	123.949371	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M-2H+NH4"	16.019271
"865635"	51.995971	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-2H+NH4"	16.019271
"33416"	92.928066	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M-2H+Na"	20.974666
"473099"	128.904766	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M-2H+Na"	20.974666
"856248"	56.951366	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-2H+Na"	20.974666
"1630158"	56.951366	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Na-2H"	20.974666
"108149"	52.957763	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M-H+Cl"	33.962126
"548439"	70.946113	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M-H+Cl"	33.962126
"938671"	34.969413	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-H+Cl"	33.962126
"276136"	106.922802	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+Cl"	34.969402
"670381"	142.899502	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+Cl"	34.969402
"1282056"	70.946102	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Cl"	34.969402
"23520"	108.902006	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M-2H+K"	36.948606
"463079"	144.878706	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M-2H+K"	36.948606
"839788"	72.925306	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-2H+K"	36.948606
"1560358"	72.925306	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+K-2H"	36.948606
"947146"	80.974894	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-H+HCOOH"	44.998194
"368278"	116.951601	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+HCOOH-H"	44.998201
"353249"	130.967251	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+Hac-H"	59.013851
"1495889"	94.990551	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Hac-H"	59.013851
"969632"	102.956851	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-H+NaCOOH"	66.980151
"119632"	70.946102	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+2Cl"	69.938804
"562109"	88.934452	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+2Cl"	69.938804
"1031275"	52.957752	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2Cl"	69.938804
"1253769"	114.895585	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Br"	78.918885
"1313301"	116.951572	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Cl+HCOOH"	80.974872
"1325327"	138.933529	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Cl+NaCOOH"	102.956829
"921854"	148.962286	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M-H+CF3COOH"	112.985586
"1302207"	184.938964	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Cl+CF3COOH"	148.962264
"1376731"	0.964024000000002	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H-2H2O"	-35.012676
"1395329"	18.974	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H-H2O"	-17.0027
"290642"	72.960676	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+H"	1.007276
"681970"	108.937376	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+H"	1.007276
"1366096"	36.983976	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H"	1.007276
"138866"	36.983976	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+2H"	2.014552
"575145"	54.972326	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+2H"	2.014552
"1046131"	18.995626	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2H"	2.014552
"211847"	24.9917426666667	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+3H"	3.021828
"647399"	36.983976	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+3H"	3.021828
"1164795"	12.9995093333333	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+3H"	3.021828
"426974"	89.987223	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+NH4"	18.033823
"789427"	125.963923	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+NH4"	18.033823
"1684662"	54.010523	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+NH4"	18.033823
"330995"	45.4972495	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+H+NH4"	19.041099
"725726"	63.4855995	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+H+NH4"	19.041099
"1484651"	27.5088995	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H+NH4"	19.041099
"403332"	94.942618	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+Na"	22.989218
"764326"	130.919318	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+Na"	22.989218
"1611332"	58.965918	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Na"	22.989218
"323554"	47.974947	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+H+Na"	23.996494
"718160"	65.963297	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+H+Na"	23.996494
"1466514"	29.986597	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H+Na"	23.996494
"1055750"	20.3268233333333	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2H+Na"	25.00377
"1261440"	69.010186	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+CH3OH+H"	33.033486
"381110"	110.916558	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+K"	38.963158
"741013"	146.893258	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+K"	38.963158
"1543067"	74.939858	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+K"	38.963158
"305711"	55.961917	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+H+K"	39.970434
"697040"	73.950267	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+H+K"	39.970434
"1451959"	37.973567	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H+K"	39.970434
"243838"	113.987226	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+ACN+H"	42.033826
"1215454"	78.010526	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+ACN+H"	42.033826
"1202617"	39.508901	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+ACN+2H"	43.041102
"199497"	116.92456	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+2Na-H"	44.97116
"641242"	152.90126	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+2Na-H"	44.97116
"1145845"	80.94786	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2Na-H"	44.97116
"187198"	58.965918	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+2Na"	45.978436
"624684"	76.954268	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+2Na"	45.978436
"1123817"	40.977568	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2Na"	45.978436
"1408432"	27.6541373333333	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H+2Na"	46.985712
"1439452"	82.989446	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H+HCOOH"	47.012746
"225871"	63.99894	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+3H2O+2H"	56.04448
"1513938"	97.04149	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+IsoProp+H"	61.06479
"423352"	66.952888	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+Na+K"	61.952376
"783372"	84.941238	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+Na+K"	61.952376
"1670956"	48.964538	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Na+K"	61.952376
"260756"	135.969168	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+ACN+Na"	64.015768
"1235651"	99.992468	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+ACN+Na"	64.015768
"1720164"	100.015993	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+NH4+HCOOH"	64.039293
"1192080"	34.9814513333333	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+3Na"	68.967654
"1660876"	104.971388	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Na+HCOOH"	68.994688
"164459"	148.87244	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+2K-H"	76.91904
"607300"	184.84914	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+2K-H"	76.91904
"1092906"	112.89574	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2K-H"	76.91904
"155924"	74.939858	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"2M+2K"	77.926316
"594754"	92.928208	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"3M+2K"	77.926316
"1080357"	56.951508	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2K"	77.926316
"1109192"	114.910292	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2K+H"	78.933592
"1345577"	114.997907	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+DMSO+H"	79.021207
"1019574"	119.037076	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2ACN+H"	83.060376
"1538677"	120.030708	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+IsoProp+Na+H"	84.054008
"1005002"	60.022176	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+2ACN+2H"	84.067652
"1602177"	120.945328	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+K+HCOOH"	84.968628
"1426498"	150.976838	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+H+CF3COOH"	115.000138
"1155692"	80.535451	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+3ACN+2H"	125.094202
"1698686"	168.003385	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+NH4+CF3COOH"	132.026685
"1638714"	172.95878	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+Na+CF3COOH"	136.98208
"1580928"	188.93272	"C01327"	"Hydrochloric acid;HCl;Hydrogen chloride;Hydrochloride"	"HCl"	"35.9767"	"M+K+CF3COOH"	152.95602
"804731"	17.0027	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M"	0
"984831"	-2.01569	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-H2O-H"	-19.01839
"70884"	10.3278573333333	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M-3H"	-3.021828
"515910"	15.995424	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M-3H"	-3.021828
"891527"	4.66029066666667	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-3H"	-3.021828
"13386"	15.995424	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M-2H"	-2.014552
"453679"	24.496774	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M-2H"	-2.014552
"829294"	7.494074	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-2H"	-2.014552
"90737"	32.998124	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M-H"	-1.007276
"525924"	50.000824	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M-H"	-1.007276
"904820"	15.995424	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-H"	-1.007276
"55913"	50.024671	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M-2H+NH4"	16.019271
"488915"	67.027371	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M-2H+NH4"	16.019271
"866719"	33.021971	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-2H+NH4"	16.019271
"34619"	54.980066	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M-2H+Na"	20.974666
"475276"	71.982766	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M-2H+Na"	20.974666
"854171"	37.977366	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-2H+Na"	20.974666
"1628082"	37.977366	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Na-2H"	20.974666
"109637"	33.983763	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M-H+Cl"	33.962126
"547820"	42.485113	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M-H+Cl"	33.962126
"938781"	25.482413	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-H+Cl"	33.962126
"276246"	68.974802	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+Cl"	34.969402
"670491"	85.977502	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+Cl"	34.969402
"1281800"	51.972102	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Cl"	34.969402
"25450"	70.954006	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M-2H+K"	36.948606
"464283"	87.956706	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M-2H+K"	36.948606
"839898"	53.951306	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-2H+K"	36.948606
"1561198"	53.951306	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+K-2H"	36.948606
"947984"	62.000894	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-H+HCOOH"	44.998194
"368388"	79.003601	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+HCOOH-H"	44.998201
"349349"	93.019251	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+Hac-H"	59.013851
"1495271"	76.016551	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Hac-H"	59.013851
"973147"	83.982851	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-H+NaCOOH"	66.980151
"119742"	51.972102	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+2Cl"	69.938804
"561490"	60.473452	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+2Cl"	69.938804
"1033208"	43.470752	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2Cl"	69.938804
"1253878"	95.921585	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Br"	78.918885
"1315599"	97.977572	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Cl+HCOOH"	80.974872
"1326531"	119.959529	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Cl+NaCOOH"	102.956829
"921964"	129.988286	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M-H+CF3COOH"	112.985586
"1292109"	165.964964	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Cl+CF3COOH"	148.962264
"1379028"	-18.009976	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H-2H2O"	-35.012676
"1398318"	0	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H-H2O"	-17.0027
"294033"	35.012676	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+H"	1.007276
"683174"	52.015376	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+H"	1.007276
"1366995"	18.009976	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H"	1.007276
"141351"	18.009976	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+2H"	2.014552
"581330"	26.511326	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+2H"	2.014552
"1051834"	9.508626	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2H"	2.014552
"216331"	12.3424093333333	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+3H"	3.021828
"652613"	18.009976	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+3H"	3.021828
"1168915"	6.67484266666667	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+3H"	3.021828
"430000"	52.039223	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+NH4"	18.033823
"796099"	69.041923	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+NH4"	18.033823
"1686960"	35.036523	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+NH4"	18.033823
"333416"	26.5232495	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+H+NH4"	19.041099
"730941"	35.0245995	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+H+NH4"	19.041099
"1486948"	18.0218995	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H+NH4"	19.041099
"407816"	56.994618	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+Na"	22.989218
"765528"	73.997318	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+Na"	22.989218
"1614722"	39.991918	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Na"	22.989218
"327672"	29.000947	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+H+Na"	23.996494
"721549"	37.502297	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+H+Na"	23.996494
"1467720"	20.499597	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H+Na"	23.996494
"1062058"	14.0021566666667	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2H+Na"	25.00377
"1262644"	50.036186	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+CH3OH+H"	33.033486
"382314"	72.968558	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+K"	38.963158
"746590"	89.971258	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+K"	38.963158
"1549738"	55.965858	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+K"	38.963158
"306916"	36.987917	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+H+K"	39.970434
"699337"	45.489267	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+H+K"	39.970434
"1458993"	28.486567	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H+K"	39.970434
"247228"	76.039226	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+ACN+H"	42.033826
"1222489"	59.036526	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+ACN+H"	42.033826
"1209287"	30.021901	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+ACN+2H"	43.041102
"203497"	78.97656	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+2Na-H"	44.97116
"643544"	95.97926	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+2Na-H"	44.97116
"1144989"	61.97386	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2Na-H"	44.97116
"188555"	39.991918	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+2Na"	45.978436
"627472"	48.493268	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+2Na"	45.978436
"1130124"	31.490568	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2Na"	45.978436
"1411825"	21.3294706666667	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H+2Na"	46.985712
"1443212"	64.015446	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H+HCOOH"	47.012746
"233636"	45.02494	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+3H2O+2H"	56.04448
"1516234"	78.06749	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+IsoProp+H"	61.06479
"422850"	47.978888	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+Na+K"	61.952376
"784939"	56.480238	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+Na+K"	61.952376
"1677626"	39.477538	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Na+K"	61.952376
"262689"	98.021168	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+ACN+Na"	64.015768
"1237948"	81.018468	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+ACN+Na"	64.015768
"1724648"	81.041993	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+NH4+HCOOH"	64.039293
"1193283"	28.6567846666667	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+3Na"	68.967654
"1658799"	85.997388	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Na+HCOOH"	68.994688
"171131"	110.92444	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+2K-H"	76.91904
"607411"	127.92714	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+2K-H"	76.91904
"1096297"	93.92174	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2K-H"	76.91904
"156642"	55.965858	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"2M+2K"	77.926316
"596202"	64.467208	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"3M+2K"	77.926316
"1082654"	47.464508	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2K"	77.926316
"1112582"	95.936292	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2K+H"	78.933592
"1345687"	96.023907	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+DMSO+H"	79.021207
"1019684"	100.063076	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2ACN+H"	83.060376
"1539719"	101.056708	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+IsoProp+Na+H"	84.054008
"1003902"	50.535176	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+2ACN+2H"	84.067652
"1601681"	101.971328	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+K+HCOOH"	84.968628
"1428795"	132.002838	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+H+CF3COOH"	115.000138
"1161271"	71.048451	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+3ACN+2H"	125.094202
"1699889"	149.029385	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+NH4+CF3COOH"	132.026685
"1638824"	153.98478	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+Na+CF3COOH"	136.98208
"1581038"	169.95872	"C01328"	"HO-;OH-;Hydroxide ion"	"OH"	"17.0027"	"M+K+CF3COOH"	152.95602
"801683"	22.9898	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M"	0
"988097"	3.97141	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-H2O-H"	-19.01839
"77311"	14.3192573333333	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M-3H"	-3.021828
"516022"	21.982524	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M-3H"	-3.021828
"894552"	6.65599066666667	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-3H"	-3.021828
"13491"	21.982524	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M-2H"	-2.014552
"452695"	33.477424	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M-2H"	-2.014552
"824293"	10.487624	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-2H"	-2.014552
"90483"	44.972324	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M-H"	-1.007276
"528221"	67.962124	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M-H"	-1.007276
"900557"	21.982524	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-H"	-1.007276
"47316"	61.998871	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M-2H+NH4"	16.019271
"487686"	84.988671	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M-2H+NH4"	16.019271
"865006"	39.009071	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-2H+NH4"	16.019271
"33638"	66.954266	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M-2H+Na"	20.974666
"474292"	89.944066	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M-2H+Na"	20.974666
"855377"	43.964466	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-2H+Na"	20.974666
"1628557"	43.964466	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Na-2H"	20.974666
"103627"	39.970863	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M-H+Cl"	33.962126
"543187"	51.465763	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M-H+Cl"	33.962126
"939256"	28.475963	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-H+Cl"	33.962126
"274531"	80.949002	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+Cl"	34.969402
"666224"	103.938802	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+Cl"	34.969402
"1274617"	57.959202	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Cl"	34.969402
"20454"	82.928206	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M-2H+K"	36.948606
"468038"	105.918006	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M-2H+K"	36.948606
"840007"	59.938406	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-2H+K"	36.948606
"1565682"	59.938406	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+K-2H"	36.948606
"951375"	67.987994	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-H+HCOOH"	44.998194
"369592"	90.977801	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+HCOOH-H"	44.998201
"346911"	104.993451	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+Hac-H"	59.013851
"1500121"	82.003651	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Hac-H"	59.013851
"971675"	89.969951	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-H+NaCOOH"	66.980151
"123864"	57.959202	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+2Cl"	69.938804
"562696"	69.454102	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+2Cl"	69.938804
"1031499"	46.464302	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2Cl"	69.938804
"1254719"	101.908685	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Br"	78.918885
"1313524"	103.964672	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Cl+HCOOH"	80.974872
"1326642"	125.946629	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Cl+NaCOOH"	102.956829
"918794"	135.975386	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M-H+CF3COOH"	112.985586
"1298786"	171.952064	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Cl+CF3COOH"	148.962264
"1379871"	-12.022876	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H-2H2O"	-35.012676
"1397011"	5.9871	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H-H2O"	-17.0027
"293051"	46.986876	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+H"	1.007276
"683284"	69.976676	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+H"	1.007276
"1365100"	23.997076	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H"	1.007276
"141033"	23.997076	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+2H"	2.014552
"581078"	35.491976	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+2H"	2.014552
"1051091"	12.502176	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2H"	2.014552
"216441"	16.3338093333333	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+3H"	3.021828
"653816"	23.997076	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+3H"	3.021828
"1165380"	8.67054266666667	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+3H"	3.021828
"428652"	64.013423	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+NH4"	18.033823
"791105"	87.003223	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+NH4"	18.033823
"1683060"	41.023623	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+NH4"	18.033823
"332068"	32.5103495	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+H+NH4"	19.041099
"724853"	44.0052495	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+H+NH4"	19.041099
"1484871"	21.0154495	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H+NH4"	19.041099
"404646"	68.968818	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+Na"	22.989218
"766367"	91.958618	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+Na"	22.989218
"1614829"	45.979018	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Na"	22.989218
"325960"	34.988047	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+H+Na"	23.996494
"712917"	46.482947	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+H+Na"	23.996494
"1468924"	23.493147	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H+Na"	23.996494
"1059982"	15.9978566666667	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2H+Na"	25.00377
"1260568"	56.023286	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+CH3OH+H"	33.033486
"381332"	84.942758	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+K"	38.963158
"749982"	107.932558	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+K"	38.963158
"1551307"	61.952958	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+K"	38.963158
"310306"	42.975017	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+H+K"	39.970434
"701634"	54.469917	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+H+K"	39.970434
"1456186"	31.480117	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H+K"	39.970434
"246245"	88.013426	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+ACN+H"	42.033826
"1222966"	65.023626	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+ACN+H"	42.033826
"1207578"	33.015451	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+ACN+2H"	43.041102
"201178"	90.95076	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+2Na-H"	44.97116
"642560"	113.94056	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+2Na-H"	44.97116
"1145706"	67.96096	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2Na-H"	44.97116
"187169"	45.979018	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+2Na"	45.978436
"627703"	57.473918	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+2Na"	45.978436
"1129995"	34.484118	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2Na"	45.978436
"1412908"	23.3251706666667	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H+2Na"	46.985712
"1442959"	70.002546	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H+HCOOH"	47.012746
"231924"	51.01204	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+3H2O+2H"	56.04448
"1523266"	84.05459	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+IsoProp+H"	61.06479
"416027"	53.965988	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+Na+K"	61.952376
"780312"	65.460888	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+Na+K"	61.952376
"1675550"	42.471088	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Na+K"	61.952376
"259881"	109.995368	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+ACN+Na"	64.015768
"1231499"	87.005568	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+ACN+Na"	64.015768
"1718197"	87.029093	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+NH4+HCOOH"	64.039293
"1187923"	30.6524846666667	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+3Na"	68.967654
"1658912"	91.984488	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Na+HCOOH"	68.994688
"163588"	122.89864	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+2K-H"	76.91904
"607521"	145.88844	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+2K-H"	76.91904
"1097502"	99.90884	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2K-H"	76.91904
"153225"	61.952958	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"2M+2K"	77.926316
"591693"	73.447858	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"3M+2K"	77.926316
"1082765"	50.458058	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2K"	77.926316
"1114395"	101.923392	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2K+H"	78.933592
"1346890"	102.011007	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+DMSO+H"	79.021207
"1014326"	106.050176	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2ACN+H"	83.060376
"1538772"	107.043808	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+IsoProp+Na+H"	84.054008
"1004373"	53.528726	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+2ACN+2H"	84.067652
"1596682"	107.958428	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+K+HCOOH"	84.968628
"1425623"	137.989938	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+H+CF3COOH"	115.000138
"1154820"	74.042001	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+3ACN+2H"	125.094202
"1701096"	155.016485	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+NH4+CF3COOH"	132.026685
"1635653"	159.97188	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+Na+CF3COOH"	136.98208
"1574586"	175.94582	"C01330"	"Sodium cation;Na;Sodium(1);Sodium ion"	"Na"	"22.9898"	"M+K+CF3COOH"	152.95602
"811516"	444.0083	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M"	0
"987237"	424.98991	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-H2O-H"	-19.01839
"75480"	294.998257333333	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M-3H"	-3.021828
"513947"	443.001024	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M-3H"	-3.021828
"885187"	146.995490666667	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-3H"	-3.021828
"8135"	443.001024	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M-2H"	-2.014552
"446603"	665.005174	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M-2H"	-2.014552
"822218"	220.996874	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-2H"	-2.014552
"82213"	887.009324	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M-H"	-1.007276
"521771"	1331.017624	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M-H"	-1.007276
"899575"	443.001024	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-H"	-1.007276
"47995"	904.035871	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M-2H+NH4"	16.019271
"488528"	1348.044171	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M-2H+NH4"	16.019271
"865238"	460.027571	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-2H+NH4"	16.019271
"33749"	908.991266	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M-2H+Na"	20.974666
"476590"	1352.999566	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M-2H+Na"	20.974666
"857675"	464.982966	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-2H+Na"	20.974666
"1633652"	464.982966	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Na-2H"	20.974666
"109210"	460.989363	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M-H+Cl"	33.962126
"547555"	682.993513	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M-H+Cl"	33.962126
"940584"	238.985213	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-H+Cl"	33.962126
"281086"	922.986002	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+Cl"	34.969402
"673262"	1366.994302	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+Cl"	34.969402
"1284572"	478.977702	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Cl"	34.969402
"23849"	924.965206	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M-2H+K"	36.948606
"468148"	1368.973506	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M-2H+K"	36.948606
"845221"	480.956906	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-2H+K"	36.948606
"1564699"	480.956906	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+K-2H"	36.948606
"953673"	489.006494	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-H+HCOOH"	44.998194
"369701"	933.014801	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+HCOOH-H"	44.998201
"356865"	947.030451	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+Hac-H"	59.013851
"1501326"	503.022151	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Hac-H"	59.013851
"972151"	510.988451	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-H+NaCOOH"	66.980151
"123975"	478.977702	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+2Cl"	69.938804
"564144"	700.981852	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+2Cl"	69.938804
"1033793"	256.973552	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2Cl"	69.938804
"1254830"	522.927185	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Br"	78.918885
"1318736"	524.983172	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Cl+HCOOH"	80.974872
"1334423"	546.965129	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Cl+NaCOOH"	102.956829
"925847"	556.993886	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M-H+CF3COOH"	112.985586
"1302190"	592.970564	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Cl+CF3COOH"	148.962264
"1379988"	408.995624	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H-2H2O"	-35.012676
"1396026"	427.0056	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H-H2O"	-17.0027
"293159"	889.023876	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+H"	1.007276
"683394"	1333.032176	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+H"	1.007276
"1365210"	445.015576	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H"	1.007276
"137008"	445.015576	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+2H"	2.014552
"580215"	667.019726	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+2H"	2.014552
"1048649"	223.011426	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2H"	2.014552
"212177"	297.012809333333	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+3H"	3.021828
"647728"	445.015576	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+3H"	3.021828
"1169863"	149.010042666667	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+3H"	3.021828
"425845"	906.050423	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+NH4"	18.033823
"790851"	1350.058723	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+NH4"	18.033823
"1691556"	462.042123	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+NH4"	18.033823
"340928"	453.5288495	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+H+NH4"	19.041099
"730067"	675.5329995	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+H+NH4"	19.041099
"1480971"	231.5246995	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H+NH4"	19.041099
"394910"	911.005818	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+Na"	22.989218
"756271"	1355.014118	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+Na"	22.989218
"1605824"	466.997518	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Na"	22.989218
"315866"	456.006547	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+H+Na"	23.996494
"710837"	678.010697	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+H+Na"	23.996494
"1463564"	234.002397	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H+Na"	23.996494
"1056808"	156.337356666667	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2H+Na"	25.00377
"1260674"	477.041786	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+CH3OH+H"	33.033486
"379253"	926.979758	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+K"	38.963158
"741343"	1370.988058	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+K"	38.963158
"1545585"	482.971458	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+K"	38.963158
"304949"	463.993517	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+H+K"	39.970434
"696276"	685.997667	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+H+K"	39.970434
"1454471"	241.989367	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H+K"	39.970434
"248543"	930.050426	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+ACN+H"	42.033826
"1222709"	486.042126	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+ACN+H"	42.033826
"1209146"	243.524701	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+ACN+2H"	43.041102
"202380"	932.98776	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+2Na-H"	44.97116
"641939"	1376.99606	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+2Na-H"	44.97116
"1144353"	488.97946	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2Na-H"	44.97116
"183997"	466.997518	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+2Na"	45.978436
"621735"	689.001668	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+2Na"	45.978436
"1127424"	244.993368	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2Na"	45.978436
"1402207"	163.664670666667	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H+2Na"	46.985712
"1436871"	491.021046	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H+HCOOH"	47.012746
"233867"	472.03054	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+3H2O+2H"	56.04448
"1520833"	505.07309	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+IsoProp+H"	61.06479
"421250"	474.984488	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+Na+K"	61.952376
"782244"	696.988638	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+Na+K"	61.952376
"1674564"	252.980338	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Na+K"	61.952376
"259993"	952.032368	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+ACN+Na"	64.015768
"1233793"	508.024068	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+ACN+Na"	64.015768
"1722681"	508.047593	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+NH4+HCOOH"	64.039293
"1192408"	170.991984666667	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+3Na"	68.967654
"1664855"	513.002988	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Na+HCOOH"	68.994688
"170988"	964.93564	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+2K-H"	76.91904
"610548"	1408.94394	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+2K-H"	76.91904
"1097249"	520.92734	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2K-H"	76.91904
"152611"	482.971458	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"2M+2K"	77.926316
"593267"	704.975608	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"3M+2K"	77.926316
"1078872"	260.967308	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2K"	77.926316
"1109895"	522.941892	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2K+H"	78.933592
"1348826"	523.029507	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+DMSO+H"	79.021207
"1018451"	527.068676	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2ACN+H"	83.060376
"1537668"	528.062308	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+IsoProp+Na+H"	84.054008
"1001204"	264.037976	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+2ACN+2H"	84.067652
"1594612"	528.976928	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+K+HCOOH"	84.968628
"1418085"	559.008438	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+H+CF3COOH"	115.000138
"1147124"	284.551251	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+3ACN+2H"	125.094202
"1702303"	576.034985	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+NH4+CF3COOH"	132.026685
"1637958"	580.99038	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+Na+CF3COOH"	136.98208
"1581262"	596.96432	"C01337"	"XDP;Xanthosine 5-pyrophosphate"	"C10H14N4O12P2"	"444.0083"	"M+K+CF3COOH"	152.95602
"808346"	357.2012	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M"	0
"978598"	338.18281	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-H2O-H"	-19.01839
"71214"	237.126857333333	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M-3H"	-3.021828
"514054"	356.193924	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M-3H"	-3.021828
"886391"	118.059790666667	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-3H"	-3.021828
"6059"	356.193924	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M-2H"	-2.014552
"442704"	534.794524	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M-2H"	-2.014552
"822328"	177.593324	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-2H"	-2.014552
"84511"	713.395124	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M-H"	-1.007276
"521883"	1070.596324	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M-H"	-1.007276
"900780"	356.193924	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-H"	-1.007276
"50780"	730.421671	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M-2H+NH4"	16.019271
"488759"	1087.622871	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M-2H+NH4"	16.019271
"865832"	373.220471	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-2H+NH4"	16.019271
"33491"	735.377066	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M-2H+Na"	20.974666
"474514"	1092.578266	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M-2H+Na"	20.974666
"858878"	378.175866	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-2H+Na"	20.974666
"1634008"	378.175866	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Na-2H"	20.974666
"109848"	374.182263	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M-H+Cl"	33.962126
"549491"	552.782863	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M-H+Cl"	33.962126
"941788"	195.581663	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-H+Cl"	33.962126
"281681"	749.371802	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+Cl"	34.969402
"674223"	1106.573002	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+Cl"	34.969402
"1285775"	392.170602	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Cl"	34.969402
"26145"	751.351006	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M-2H+K"	36.948606
"468622"	1108.552206	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M-2H+K"	36.948606
"846424"	394.149806	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-2H+K"	36.948606
"1564809"	394.149806	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+K-2H"	36.948606
"953419"	402.199394	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-H+HCOOH"	44.998194
"371997"	759.400601	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+HCOOH-H"	44.998201
"353694"	773.416251	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+Hac-H"	59.013851
"1501437"	416.215051	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Hac-H"	59.013851
"971168"	424.181351	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-H+NaCOOH"	66.980151
"122262"	392.170602	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+2Cl"	69.938804
"563890"	570.771202	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+2Cl"	69.938804
"1035239"	213.570002	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2Cl"	69.938804
"1253483"	436.120085	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Br"	78.918885
"1318115"	438.176072	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Cl+HCOOH"	80.974872
"1332348"	460.158029	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Cl+NaCOOH"	102.956829
"924866"	470.186786	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M-H+CF3COOH"	112.985586
"1300117"	506.163464	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Cl+CF3COOH"	148.962264
"1379980"	322.188524	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H-2H2O"	-35.012676
"1395773"	340.1985	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H-H2O"	-17.0027
"296550"	715.409676	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+H"	1.007276
"689339"	1072.610876	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+H"	1.007276
"1365686"	358.208476	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H"	1.007276
"132745"	358.208476	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+2H"	2.014552
"573399"	536.809076	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+2H"	2.014552
"1043292"	179.607876	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2H"	2.014552
"205360"	239.141409333333	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+3H"	3.021828
"649661"	358.208476	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+3H"	3.021828
"1166693"	120.074342666667	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+3H"	3.021828
"426074"	732.436223	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+NH4"	18.033823
"788771"	1089.637423	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+NH4"	18.033823
"1688385"	375.235023	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+NH4"	18.033823
"341038"	366.7217495	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+H+NH4"	19.041099
"731271"	545.3223495	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+H+NH4"	19.041099
"1481809"	188.1211495	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H+NH4"	19.041099
"396479"	737.391618	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+Na"	22.989218
"756383"	1094.592818	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+Na"	22.989218
"1605211"	380.190418	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Na"	22.989218
"318527"	369.199447	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+H+Na"	23.996494
"710946"	547.800047	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+H+Na"	23.996494
"1464767"	190.598847	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H+Na"	23.996494
"1055827"	127.401656666667	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2H+Na"	25.00377
"1261149"	390.234686	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+CH3OH+H"	33.033486
"379727"	753.365558	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+K"	38.963158
"741454"	1110.566758	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+K"	38.963158
"1544603"	396.164358	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+K"	38.963158
"309433"	377.186417	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+H+K"	39.970434
"700761"	555.787017	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+H+K"	39.970434
"1457861"	198.585817	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H+K"	39.970434
"250357"	756.436226	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+ACN+H"	42.033826
"1224280"	399.235026	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+ACN+H"	42.033826
"1209220"	200.121151	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+ACN+2H"	43.041102
"203792"	759.37356	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+2Na-H"	44.97116
"642049"	1116.57476	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+2Na-H"	44.97116
"1145558"	402.17236	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2Na-H"	44.97116
"187025"	380.190418	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+2Na"	45.978436
"620388"	558.791018	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+2Na"	45.978436
"1124257"	201.589818	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2Na"	45.978436
"1403773"	134.728970666667	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H+2Na"	46.985712
"1440990"	404.213946	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H+HCOOH"	47.012746
"235197"	385.22344	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+3H2O+2H"	56.04448
"1520950"	418.26599	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+IsoProp+H"	61.06479
"423185"	388.177388	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+Na+K"	61.952376
"782359"	566.777988	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+Na+K"	61.952376
"1674678"	209.576788	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Na+K"	61.952376
"257917"	778.418168	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+ACN+Na"	64.015768
"1231718"	421.216968	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+ACN+Na"	64.015768
"1722792"	421.240493	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+NH4+HCOOH"	64.039293
"1191794"	142.056284666667	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+3Na"	68.967654
"1662415"	426.195888	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Na+HCOOH"	68.994688
"170010"	791.32144	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+2K-H"	76.91904
"609937"	1148.52264	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+2K-H"	76.91904
"1098336"	434.12024	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2K-H"	76.91904
"153087"	396.164358	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"2M+2K"	77.926316
"593012"	574.764958	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"3M+2K"	77.926316
"1080440"	217.563758	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2K"	77.926316
"1111097"	436.134792	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2K+H"	78.933592
"1348205"	436.222407	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+DMSO+H"	79.021207
"1020015"	440.261576	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2ACN+H"	83.060376
"1538751"	441.255208	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+IsoProp+Na+H"	84.054008
"1000220"	220.634426	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+2ACN+2H"	84.067652
"1593629"	442.169828	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+K+HCOOH"	84.968628
"1418198"	472.201338	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+H+CF3COOH"	115.000138
"1153953"	241.147701	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+3ACN+2H"	125.094202
"1704600"	489.227885	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+NH4+CF3COOH"	132.026685
"1640255"	494.18328	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+Na+CF3COOH"	136.98208
"1581372"	510.15722	"C01341"	"E-64;Proteinase inhibitor E 64"	"C15H27N5O5"	"357.2012"	"M+K+CF3COOH"	152.95602
"811736"	18.0344	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M"	0
"980894"	-0.983989999999999	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-H2O-H"	-19.01839
"69135"	11.0156573333333	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M-3H"	-3.021828
"514162"	17.027124	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M-3H"	-3.021828
"889780"	5.00419066666667	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-3H"	-3.021828
"10544"	17.027124	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M-2H"	-2.014552
"451199"	26.044324	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M-2H"	-2.014552
"823532"	8.009924	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-2H"	-2.014552
"84621"	35.061524	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M-H"	-1.007276
"523084"	53.095924	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M-H"	-1.007276
"899797"	17.027124	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-H"	-1.007276
"51985"	52.088071	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M-2H+NH4"	16.019271
"495921"	70.122471	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M-2H+NH4"	16.019271
"873725"	34.053671	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-2H+NH4"	16.019271
"44906"	57.043466	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M-2H+Na"	20.974666
"486293"	75.077866	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M-2H+Na"	20.974666
"864201"	39.009066	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-2H+Na"	20.974666
"1634041"	39.009066	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Na-2H"	20.974666
"109517"	35.015463	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M-H+Cl"	33.962126
"547774"	44.032663	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M-H+Cl"	33.962126
"942184"	25.998263	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-H+Cl"	33.962126
"281997"	71.038202	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+Cl"	34.969402
"675310"	89.072602	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+Cl"	34.969402
"1288407"	53.003802	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Cl"	34.969402
"30713"	73.017406	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M-2H+K"	36.948606
"471370"	91.051806	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M-2H+K"	36.948606
"846171"	54.983006	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-2H+K"	36.948606
"1569293"	54.983006	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+K-2H"	36.948606
"953895"	63.032594	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-H+HCOOH"	44.998194
"373206"	81.067001	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+HCOOH-H"	44.998201
"357815"	95.082651	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+Hac-H"	59.013851
"1503734"	77.048251	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Hac-H"	59.013851
"974065"	85.014551	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-H+NaCOOH"	66.980151
"123101"	53.003802	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+2Cl"	69.938804
"565052"	62.021002	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+2Cl"	69.938804
"1033650"	43.986602	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2Cl"	69.938804
"1254323"	96.953285	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Br"	78.918885
"1316768"	99.009272	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Cl+HCOOH"	80.974872
"1328803"	120.991229	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Cl+NaCOOH"	102.956829
"923506"	131.019986	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M-H+CF3COOH"	112.985586
"1303865"	166.996664	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Cl+CF3COOH"	148.962264
"1382392"	-16.978276	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H-2H2O"	-35.012676
"1396249"	1.0317	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H-H2O"	-17.0027
"293381"	37.076076	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+H"	1.007276
"689085"	55.110476	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+H"	1.007276
"1365676"	19.041676	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H"	1.007276
"133948"	19.041676	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+2H"	2.014552
"572051"	28.058876	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+2H"	2.014552
"1043037"	10.024476	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2H"	2.014552
"210211"	13.0302093333333	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+3H"	3.021828
"648313"	19.041676	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+3H"	3.021828
"1167895"	7.01874266666667	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+3H"	3.021828
"428251"	54.102623	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+NH4"	18.033823
"790341"	72.137023	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+NH4"	18.033823
"1687402"	36.068223	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+NH4"	18.033823
"337866"	27.5549495	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+H+NH4"	19.041099
"730288"	36.5721495	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+H+NH4"	19.041099
"1484107"	18.5377495	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H+NH4"	19.041099
"396951"	59.058018	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+Na"	22.989218
"758312"	77.092418	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+Na"	22.989218
"1604593"	41.023618	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Na"	22.989218
"317544"	30.032647	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+H+Na"	23.996494
"711421"	39.049847	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+H+Na"	23.996494
"1463059"	21.015447	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H+Na"	23.996494
"1053876"	14.3460566666667	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2H+Na"	25.00377
"1258228"	51.067886	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+CH3OH+H"	33.033486
"381664"	75.031958	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+K"	38.963158
"743753"	93.066358	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+K"	38.963158
"1551276"	56.997558	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+K"	38.963158
"312825"	38.019617	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+H+K"	39.970434
"699778"	47.036817	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+H+K"	39.970434
"1459065"	29.002417	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H+K"	39.970434
"250915"	78.102626	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+ACN+H"	42.033826
"1224999"	60.068226	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+ACN+H"	42.033826
"1209767"	30.537751	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+ACN+2H"	43.041102
"203819"	81.03996	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+2Na-H"	44.97116
"643747"	99.07436	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+2Na-H"	44.97116
"1146826"	63.00556	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2Na-H"	44.97116
"186407"	41.023618	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+2Na"	45.978436
"623049"	50.040818	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+2Na"	45.978436
"1130445"	32.006418	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2Na"	45.978436
"1403520"	21.6733706666667	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H+2Na"	46.985712
"1438915"	65.047146	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H+HCOOH"	47.012746
"235621"	46.05664	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+3H2O+2H"	56.04448
"1524061"	79.09919	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+IsoProp+H"	61.06479
"423300"	49.010588	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+Na+K"	61.952376
"784659"	58.027788	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+Na+K"	61.952376
"1680014"	39.993388	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Na+K"	61.952376
"263495"	100.084568	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+ACN+Na"	64.015768
"1239118"	82.050168	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+ACN+Na"	64.015768
"1726793"	82.073693	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+NH4+HCOOH"	64.039293
"1192632"	29.0006846666667	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+3Na"	68.967654
"1658152"	87.029088	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Na+HCOOH"	68.994688
"169389"	112.98784	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+2K-H"	76.91904
"611746"	131.02224	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+2K-H"	76.91904
"1096014"	94.95344	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2K-H"	76.91904
"152105"	56.997558	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"2M+2K"	77.926316
"593854"	66.014758	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"3M+2K"	77.926316
"1081281"	47.980358	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2K"	77.926316
"1113034"	96.967992	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2K+H"	78.933592
"1348321"	97.055607	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+DMSO+H"	79.021207
"1019401"	101.094776	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2ACN+H"	83.060376
"1537890"	102.088408	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+IsoProp+Na+H"	84.054008
"1002151"	51.051026	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+2ACN+2H"	84.067652
"1602002"	103.003028	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+K+HCOOH"	84.968628
"1427048"	133.034538	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+H+CF3COOH"	115.000138
"1151873"	71.564301	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+3ACN+2H"	125.094202
"1698512"	150.061085	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+NH4+CF3COOH"	132.026685
"1639271"	155.01648	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+Na+CF3COOH"	136.98208
"1581482"	170.99042	"C01342"	"NH4;Ammonia ion;Ammonium(1)"	"NH4"	"18.0344"	"M+K+CF3COOH"	152.95602
"808567"	412.0185	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M"	0
"984287"	393.00011	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-H2O-H"	-19.01839
"64874"	273.671724	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M-3H"	-3.021828
"515370"	411.011224	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M-3H"	-3.021828
"883333"	136.332224	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-3H"	-3.021828
"4094"	411.011224	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M-2H"	-2.014552
"443655"	617.020474	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M-2H"	-2.014552
"822554"	205.001974	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-2H"	-2.014552
"86919"	823.029724	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M-H"	-1.007276
"530856"	1235.048224	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M-H"	-1.007276
"905377"	411.011224	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-H"	-1.007276
"52095"	840.056271	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M-2H+NH4"	16.019271
"498220"	1252.074771	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M-2H+NH4"	16.019271
"873835"	428.037771	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-2H+NH4"	16.019271
"41736"	845.011666	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M-2H+Na"	20.974666
"486767"	1257.030166	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M-2H+Na"	20.974666
"863962"	432.993166	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-2H+Na"	20.974666
"1633908"	432.993166	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Na-2H"	20.974666
"109868"	428.999563	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M-H+Cl"	33.962126
"549344"	635.008813	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M-H+Cl"	33.962126
"942374"	222.990313	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-H+Cl"	33.962126
"282559"	859.006402	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+Cl"	34.969402
"675056"	1271.024902	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+Cl"	34.969402
"1284904"	446.987902	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Cl"	34.969402
"27460"	860.985606	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M-2H+K"	36.948606
"469207"	1273.004106	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M-2H+K"	36.948606
"843729"	448.967106	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-2H+K"	36.948606
"1568309"	448.967106	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+K-2H"	36.948606
"952909"	457.016694	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-H+HCOOH"	44.998194
"372218"	869.035201	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+HCOOH-H"	44.998201
"359750"	883.050851	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+Hac-H"	59.013851
"1504940"	471.032351	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Hac-H"	59.013851
"970293"	478.998651	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-H+NaCOOH"	66.980151
"121389"	446.987902	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+2Cl"	69.938804
"563867"	652.997152	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+2Cl"	69.938804
"1035581"	240.978652	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2Cl"	69.938804
"1255524"	490.937385	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Br"	78.918885
"1305581"	492.993372	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Cl+HCOOH"	80.974872
"1334992"	514.975329	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Cl+NaCOOH"	102.956829
"926058"	525.004086	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M-H+CF3COOH"	112.985586
"1303496"	560.980764	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Cl+CF3COOH"	148.962264
"1379227"	377.005824	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H-2H2O"	-35.012676
"1395628"	395.0158	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H-H2O"	-17.0027
"296043"	825.044276	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+H"	1.007276
"688101"	1237.062776	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+H"	1.007276
"1360076"	413.025776	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H"	1.007276
"136247"	413.025776	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+2H"	2.014552
"576900"	619.035026	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+2H"	2.014552
"1041692"	207.016526	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2H"	2.014552
"209226"	275.686276	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+3H"	3.021828
"649882"	413.025776	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+3H"	3.021828
"1163992"	138.346776	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+3H"	3.021828
"428359"	842.070823	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+NH4"	18.033823
"789718"	1254.089323	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+NH4"	18.033823
"1684956"	430.052323	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+NH4"	18.033823
"335787"	421.5390495	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+H+NH4"	19.041099
"729302"	627.5482995	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+H+NH4"	19.041099
"1481298"	215.5297995	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H+NH4"	19.041099
"395240"	847.026218	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+Na"	22.989218
"755150"	1259.044718	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+Na"	22.989218
"1603285"	435.007718	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Na"	22.989218
"316564"	424.016747	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+H+Na"	23.996494
"708983"	630.025997	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+H+Na"	23.996494
"1463050"	218.007497	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H+Na"	23.996494
"1056054"	145.67409	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2H+Na"	25.00377
"1265387"	445.051986	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+CH3OH+H"	33.033486
"380682"	863.000158	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+K"	38.963158
"752613"	1275.018658	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+K"	38.963158
"1553941"	450.981658	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+K"	38.963158
"311841"	432.003717	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+H+K"	39.970434
"706087"	638.012967	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+H+K"	39.970434
"1459176"	225.994467	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H+K"	39.970434
"251268"	866.070826	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+ACN+H"	42.033826
"1223767"	454.052326	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+ACN+H"	42.033826
"1208379"	227.529801	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+ACN+2H"	43.041102
"203200"	869.00816	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+2Na-H"	44.97116
"643655"	1281.02666	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+2Na-H"	44.97116
"1138124"	456.98966	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2Na-H"	44.97116
"184330"	435.007718	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+2Na"	45.978436
"623159"	641.016968	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+2Na"	45.978436
"1122655"	228.998468	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2Na"	45.978436
"1403630"	153.001404	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H+2Na"	46.985712
"1442313"	459.031246	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H+HCOOH"	47.012746
"235172"	440.04074	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+3H2O+2H"	56.04448
"1522869"	473.08329	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+IsoProp+H"	61.06479
"423039"	442.994688	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+Na+K"	61.952376
"785344"	649.003938	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+Na+K"	61.952376
"1680853"	236.985438	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Na+K"	61.952376
"262510"	888.052768	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+ACN+Na"	64.015768
"1235220"	476.034268	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+ACN+Na"	64.015768
"1724105"	476.057793	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+NH4+HCOOH"	64.039293
"1190921"	160.328718	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+3Na"	68.967654
"1659356"	481.013188	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Na+HCOOH"	68.994688
"170957"	900.95604	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+2K-H"	76.91904
"610155"	1312.97454	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+2K-H"	76.91904
"1096122"	488.93754	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2K-H"	76.91904
"152944"	450.981658	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"2M+2K"	77.926316
"593963"	656.990908	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"3M+2K"	77.926316
"1082484"	244.972408	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2K"	77.926316
"1113872"	490.952092	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2K+H"	78.933592
"1348430"	491.039707	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+DMSO+H"	79.021207
"1016955"	495.078876	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2ACN+H"	83.060376
"1536174"	496.072508	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+IsoProp+Na+H"	84.054008
"998246"	248.043076	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+2ACN+2H"	84.067652
"1599312"	496.987128	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+K+HCOOH"	84.968628
"1421694"	527.018638	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+H+CF3COOH"	115.000138
"1153082"	268.556351	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+3ACN+2H"	125.094202
"1700450"	544.045185	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+NH4+CF3COOH"	132.026685
"1635126"	549.00058	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+Na+CF3COOH"	136.98208
"1581593"	564.97452	"C01344"	"dIDP;2-Deoxyinosine-5-diphosphate;2-Deoxyinosine 5-diphosphate"	"C10H14N4O10P2"	"412.0185"	"M+K+CF3COOH"	152.95602
"807584"	491.9848	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M"	0
"978929"	472.96641	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-H2O-H"	-19.01839
"68264"	326.982590666667	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M-3H"	-3.021828
"516575"	490.977524	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M-3H"	-3.021828
"885630"	162.987657333333	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-3H"	-3.021828
"5297"	490.977524	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M-2H"	-2.014552
"443765"	736.969924	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M-2H"	-2.014552
"824846"	244.985124	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-2H"	-2.014552
"87025"	982.962324	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M-H"	-1.007276
"532670"	1474.947124	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M-H"	-1.007276
"908403"	490.977524	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-H"	-1.007276
"55485"	999.988871	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M-2H+NH4"	16.019271
"498330"	1491.973671	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M-2H+NH4"	16.019271
"873944"	508.004071	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-2H+NH4"	16.019271
"41846"	1004.944266	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M-2H+Na"	20.974666
"485299"	1496.929066	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M-2H+Na"	20.974666
"863708"	512.959466	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-2H+Na"	20.974666
"1633123"	512.959466	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Na-2H"	20.974666
"109165"	508.965863	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M-H+Cl"	33.962126
"540463"	754.958263	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M-H+Cl"	33.962126
"936164"	262.973463	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-H+Cl"	33.962126
"278001"	1018.939002	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+Cl"	34.969402
"672609"	1510.923802	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+Cl"	34.969402
"1282826"	526.954202	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Cl"	34.969402
"28300"	1020.918206	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M-2H+K"	36.948606
"469563"	1512.903006	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M-2H+K"	36.948606
"842747"	528.933406	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-2H+K"	36.948606
"1569151"	528.933406	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+K-2H"	36.948606
"955575"	536.982994	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-H+HCOOH"	44.998194
"374520"	1028.967801	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+HCOOH-H"	44.998201
"360225"	1042.983451	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+Hac-H"	59.013851
"1504681"	550.998651	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Hac-H"	59.013851
"970033"	558.964951	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-H+NaCOOH"	66.980151
"117122"	526.954202	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+2Cl"	69.938804
"559963"	772.946602	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+2Cl"	69.938804
"1030948"	280.961802	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2Cl"	69.938804
"1250528"	570.903685	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Br"	78.918885
"1304834"	572.959672	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Cl+HCOOH"	80.974872
"1323189"	594.941629	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Cl+NaCOOH"	102.956829
"926654"	604.970386	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M-H+CF3COOH"	112.985586
"1303642"	640.947064	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Cl+CF3COOH"	148.962264
"1379338"	456.972124	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H-2H2O"	-35.012676
"1395009"	474.9821	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H-H2O"	-17.0027
"296881"	984.976876	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+H"	1.007276
"688939"	1476.961676	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+H"	1.007276
"1356906"	492.992076	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H"	1.007276
"131982"	492.992076	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+2H"	2.014552
"578103"	738.984476	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+2H"	2.014552
"1041802"	246.999676	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2H"	2.014552
"210432"	328.997142666667	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+3H"	3.021828
"648169"	492.992076	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+3H"	3.021828
"1164833"	165.002209333333	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+3H"	3.021828
"430292"	1002.003423	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+NH4"	18.033823
"791652"	1493.988223	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+NH4"	18.033823
"1691997"	510.018623	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+NH4"	18.033823
"338087"	501.5053495	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+H+NH4"	19.041099
"730505"	747.4977495	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+H+NH4"	19.041099
"1482504"	255.5129495	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H+NH4"	19.041099
"397901"	1006.958818	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+Na"	22.989218
"756353"	1498.943618	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+Na"	22.989218
"1603479"	514.974018	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Na"	22.989218
"317767"	503.983047	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+H+Na"	23.996494
"709093"	749.975447	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+H+Na"	23.996494
"1462918"	257.990647	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H+Na"	23.996494
"1053126"	172.329523333333	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2H+Na"	25.00377
"1263310"	525.018286	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+CH3OH+H"	33.033486
"380792"	1022.932758	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+K"	38.963158
"743976"	1514.917558	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+K"	38.963158
"1551497"	530.947958	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+K"	38.963158
"310858"	511.970017	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+H+K"	39.970434
"706565"	757.962417	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+H+K"	39.970434
"1459165"	265.977617	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H+K"	39.970434
"250446"	1026.003426	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+ACN+H"	42.033826
"1225220"	534.018626	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+ACN+H"	42.033826
"1209854"	267.512951	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+ACN+2H"	43.041102
"202824"	1028.94076	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+2Na-H"	44.97116
"641652"	1520.92556	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+2Na-H"	44.97116
"1140418"	536.95596	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2Na-H"	44.97116
"181522"	514.974018	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+2Na"	45.978436
"627893"	760.966418	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+2Na"	45.978436
"1125683"	268.981618	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2Na"	45.978436
"1407020"	179.656837333333	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H+2Na"	46.985712
"1444370"	538.997546	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H+HCOOH"	47.012746
"234555"	520.00704	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+3H2O+2H"	56.04448
"1523229"	553.04959	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+IsoProp+H"	61.06479
"423762"	522.960988	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+Na+K"	61.952376
"785503"	768.953388	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+Na+K"	61.952376
"1680234"	276.968588	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Na+K"	61.952376
"264808"	1047.985368	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+ACN+Na"	64.015768
"1237153"	556.000568	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+ACN+Na"	64.015768
"1723491"	556.024093	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+NH4+HCOOH"	64.039293
"1191033"	186.984151333333	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+3Na"	68.967654
"1662020"	560.979488	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Na+HCOOH"	68.994688
"170341"	1060.88864	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+2K-H"	76.91904
"609174"	1552.87344	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+2K-H"	76.91904
"1096600"	568.90384	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2K-H"	76.91904
"154150"	530.947958	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"2M+2K"	77.926316
"593344"	776.940358	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"3M+2K"	77.926316
"1080044"	284.955558	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2K"	77.926316
"1113253"	570.918392	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2K+H"	78.933592
"1347812"	571.006007	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+DMSO+H"	79.021207
"1020352"	575.045176	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2ACN+H"	83.060376
"1536653"	576.038808	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+IsoProp+Na+H"	84.054008
"1003097"	288.026226	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+2ACN+2H"	84.067652
"1600516"	576.953428	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+K+HCOOH"	84.968628
"1428730"	606.984938	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+H+CF3COOH"	115.000138
"1155379"	308.539501	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+3ACN+2H"	125.094202
"1702746"	624.011485	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+NH4+CF3COOH"	132.026685
"1636938"	628.96688	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+Na+CF3COOH"	136.98208
"1581703"	644.94082	"C01345"	"dITP;2-Deoxyinosine-5-triphosphate;2-Deoxyinosine 5-triphosphate"	"C10H15N4O13P3"	"491.9848"	"M+K+CF3COOH"	152.95602
"808787"	388.0073	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M"	0
"979039"	368.98891	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-H2O-H"	-19.01839
"65094"	257.664257333333	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M-3H"	-3.021828
"514498"	387.000024	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M-3H"	-3.021828
"887927"	128.328490666667	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-3H"	-3.021828
"9782"	387.000024	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M-2H"	-2.014552
"444968"	581.003674	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M-2H"	-2.014552
"824955"	192.996374	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-2H"	-2.014552
"86042"	775.007324	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M-H"	-1.007276
"528889"	1163.014624	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M-H"	-1.007276
"903410"	387.000024	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-H"	-1.007276
"54502"	792.033871	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M-2H+NH4"	16.019271
"492973"	1180.041171	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M-2H+NH4"	16.019271
"870774"	404.026571	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-2H+NH4"	16.019271
"38676"	796.989266	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M-2H+Na"	20.974666
"486379"	1184.996566	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M-2H+Na"	20.974666
"860412"	408.981966	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-2H+Na"	20.974666
"1629947"	408.981966	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Na-2H"	20.974666
"108909"	404.988363	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M-H+Cl"	33.962126
"540573"	598.992013	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M-H+Cl"	33.962126
"936274"	210.984713	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-H+Cl"	33.962126
"277017"	810.984002	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+Cl"	34.969402
"671626"	1198.991302	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+Cl"	34.969402
"1286948"	422.976702	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Cl"	34.969402
"30477"	812.963206	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M-2H+K"	36.948606
"468336"	1200.970506	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M-2H+K"	36.948606
"843950"	424.955906	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-2H+K"	36.948606
"1569261"	424.955906	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+K-2H"	36.948606
"953133"	433.005494	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-H+HCOOH"	44.998194
"374994"	821.012801	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+HCOOH-H"	44.998201
"358147"	835.028451	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+Hac-H"	59.013851
"1502969"	447.021151	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Hac-H"	59.013851
"968321"	454.987451	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-H+NaCOOH"	66.980151
"118326"	422.976702	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+2Cl"	69.938804
"558979"	616.980352	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+2Cl"	69.938804
"1028872"	228.973052	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2Cl"	69.938804
"1249545"	466.926185	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Br"	78.918885
"1306162"	468.982172	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Cl+HCOOH"	80.974872
"1323656"	490.964129	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Cl+NaCOOH"	102.956829
"913988"	500.992886	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M-H+CF3COOH"	112.985586
"1297263"	536.969564	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Cl+CF3COOH"	148.962264
"1379448"	352.994624	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H-2H2O"	-35.012676
"1395119"	371.0046	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H-H2O"	-17.0027
"295898"	777.021876	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+H"	1.007276
"688319"	1165.029176	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+H"	1.007276
"1355922"	389.014576	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H"	1.007276
"136464"	389.014576	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+2H"	2.014552
"579305"	583.018226	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+2H"	2.014552
"1041549"	195.010926	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2H"	2.014552
"207259"	259.678809333333	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+3H"	3.021828
"646210"	389.014576	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+3H"	3.021828
"1165669"	130.343042666667	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+3H"	3.021828
"430039"	794.048423	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+NH4"	18.033823
"793220"	1182.055723	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+NH4"	18.033823
"1689919"	406.041123	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+NH4"	18.033823
"340386"	397.5278495	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+H+NH4"	19.041099
"729522"	591.5314995	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+H+NH4"	19.041099
"1482255"	203.5241995	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H+NH4"	19.041099
"394494"	799.003818	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+Na"	22.989218
"756463"	1187.011118	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+Na"	22.989218
"1603830"	410.996518	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Na"	22.989218
"317877"	400.005547	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+H+Na"	23.996494
"710297"	594.009197	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+H+Na"	23.996494
"1463387"	206.001897	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H+Na"	23.996494
"1054813"	137.670356666667	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2H+Na"	25.00377
"1259772"	421.040786	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+CH3OH+H"	33.033486
"380902"	814.977758	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+K"	38.963158
"748459"	1202.985058	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+K"	38.963158
"1548328"	426.970458	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+K"	38.963158
"305504"	407.992517	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+H+K"	39.970434
"704121"	601.996167	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+H+K"	39.970434
"1459767"	213.988867	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H+K"	39.970434
"250194"	818.048426	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+ACN+H"	42.033826
"1224850"	430.041126	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+ACN+H"	42.033826
"1208969"	215.524201	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+ACN+2H"	43.041102
"201473"	820.98576	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+2Na-H"	44.97116
"639938"	1208.99306	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+2Na-H"	44.97116
"1136158"	432.97846	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2Na-H"	44.97116
"184185"	410.996518	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+2Na"	45.978436
"627394"	605.000168	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+2Na"	45.978436
"1124699"	216.992868	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2Na"	45.978436
"1407130"	144.997670666667	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H+2Na"	46.985712
"1444245"	435.020046	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H+HCOOH"	47.012746
"233691"	416.02954	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+3H2O+2H"	56.04448
"1522607"	449.07209	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+IsoProp+H"	61.06479
"423509"	418.983488	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+Na+K"	61.952376
"784629"	612.987138	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+Na+K"	61.952376
"1676212"	224.979838	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Na+K"	61.952376
"263825"	840.030368	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+ACN+Na"	64.015768
"1239452"	452.023068	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+ACN+Na"	64.015768
"1724327"	452.046593	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+NH4+HCOOH"	64.039293
"1191505"	152.324984666667	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+3Na"	68.967654
"1660671"	457.001988	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Na+HCOOH"	68.994688
"169722"	852.93364	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+2K-H"	76.91904
"608917"	1240.94094	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+2K-H"	76.91904
"1097438"	464.92634	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2K-H"	76.91904
"153894"	426.970458	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"2M+2K"	77.926316
"593453"	620.974108	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"3M+2K"	77.926316
"1079788"	232.966808	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2K"	77.926316
"1112270"	466.940892	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2K+H"	78.933592
"1350354"	467.028507	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+DMSO+H"	79.021207
"1020220"	471.067676	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2ACN+H"	83.060376
"1538221"	472.061308	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+IsoProp+Na+H"	84.054008
"1003572"	236.037476	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+2ACN+2H"	84.067652
"1600625"	472.975928	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+K+HCOOH"	84.968628
"1429327"	503.007438	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+H+CF3COOH"	115.000138
"1156585"	256.550751	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+3ACN+2H"	125.094202
"1702856"	520.033985	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+NH4+CF3COOH"	132.026685
"1640695"	524.98938	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+Na+CF3COOH"	136.98208
"1581813"	540.96332	"C01346"	"dUDP;2-Deoxyuridine 5-diphosphate"	"C9H14N2O11P2"	"388.0073"	"M+K+CF3COOH"	152.95602
"808897"	428.0134	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M"	0
"979149"	408.99501	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-H2O-H"	-19.01839
"65204"	284.334990666667	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M-3H"	-3.021828
"513514"	427.006124	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M-3H"	-3.021828
"890221"	141.663857333333	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-3H"	-3.021828
"6612"	427.006124	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M-2H"	-2.014552
"447265"	641.012824	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M-2H"	-2.014552
"820692"	212.999424	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-2H"	-2.014552
"83965"	855.019524	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M-H"	-1.007276
"530092"	1283.032924	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M-H"	-1.007276
"906800"	427.006124	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-H"	-1.007276
"54612"	872.046071	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M-2H+NH4"	16.019271
"496363"	1300.059471	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M-2H+NH4"	16.019271
"869790"	444.032671	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-2H+NH4"	16.019271
"33560"	877.001466	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M-2H+Na"	20.974666
"479439"	1305.014866	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M-2H+Na"	20.974666
"860522"	448.988066	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-2H+Na"	20.974666
"1628963"	448.988066	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Na-2H"	20.974666
"109018"	444.994463	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M-H+Cl"	33.962126
"542869"	659.001163	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M-H+Cl"	33.962126
"936384"	230.987763	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-H+Cl"	33.962126
"277127"	890.996202	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+Cl"	34.969402
"671736"	1319.009602	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+Cl"	34.969402
"1287179"	462.982802	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Cl"	34.969402
"29979"	892.975406	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M-2H+K"	36.948606
"469175"	1320.988806	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M-2H+K"	36.948606
"845153"	464.962006	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-2H+K"	36.948606
"1568642"	464.962006	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+K-2H"	36.948606
"953243"	473.011594	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-H+HCOOH"	44.998194
"375104"	901.025001	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+HCOOH-H"	44.998201
"359350"	915.040651	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+Hac-H"	59.013851
"1504172"	487.027251	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Hac-H"	59.013851
"967337"	494.993551	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-H+NaCOOH"	66.980151
"120622"	462.982802	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+2Cl"	69.938804
"556903"	676.989502	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+2Cl"	69.938804
"1028982"	248.976102	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2Cl"	69.938804
"1249655"	506.932285	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Br"	78.918885
"1305418"	508.988272	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Cl+HCOOH"	80.974872
"1322671"	530.970229	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Cl+NaCOOH"	102.956829
"912272"	540.998986	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M-H+CF3COOH"	112.985586
"1295186"	576.975664	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Cl+CF3COOH"	148.962264
"1378828"	393.000724	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H-2H2O"	-35.012676
"1391950"	411.0107	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H-H2O"	-17.0027
"292728"	857.034076	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+H"	1.007276
"686243"	1285.047476	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+H"	1.007276
"1357125"	429.020676	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H"	1.007276
"134387"	429.020676	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+2H"	2.014552
"578322"	643.027376	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+2H"	2.014552
"1041659"	215.013976	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2H"	2.014552
"207371"	286.349542666667	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+3H"	3.021828
"645835"	429.020676	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+3H"	3.021828
"1163714"	143.678409333333	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+3H"	3.021828
"430880"	874.060623	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+NH4"	18.033823
"792238"	1302.074023	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+NH4"	18.033823
"1691122"	446.047223	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+NH4"	18.033823
"341589"	437.5339495	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+H+NH4"	19.041099
"728903"	651.5406495	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+H+NH4"	19.041099
"1479450"	223.5272495	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H+NH4"	19.041099
"393389"	879.016018	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+Na"	22.989218
"756573"	1307.029418	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+Na"	22.989218
"1606856"	451.002618	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Na"	22.989218
"319081"	440.011647	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+H+Na"	23.996494
"709070"	654.018347	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+H+Na"	23.996494
"1462407"	226.004947	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H+Na"	23.996494
"1058567"	151.005723333333	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2H+Na"	25.00377
"1262433"	461.046886	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+CH3OH+H"	33.033486
"382105"	894.989958	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+K"	38.963158
"745289"	1323.003358	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+K"	38.963158
"1548438"	466.976558	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+K"	38.963158
"305614"	447.998617	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+H+K"	39.970434
"704231"	662.005317	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+H+K"	39.970434
"1459875"	233.991917	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H+K"	39.970434
"251195"	898.060626	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+ACN+H"	42.033826
"1224957"	470.047226	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+ACN+H"	42.033826
"1208106"	235.527251	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+ACN+2H"	43.041102
"201947"	900.99796	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+2Na-H"	44.97116
"640414"	1329.01136	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+2Na-H"	44.97116
"1137360"	472.98456	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2Na-H"	44.97116
"181743"	451.002618	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+2Na"	45.978436
"627138"	665.009318	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+2Na"	45.978436
"1120436"	236.995918	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2Na"	45.978436
"1406147"	158.333037333333	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H+2Na"	46.985712
"1443871"	475.026146	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H+HCOOH"	47.012746
"233071"	456.03564	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+3H2O+2H"	56.04448
"1523329"	489.07819	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+IsoProp+H"	61.06479
"423497"	458.989588	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+Na+K"	61.952376
"784982"	672.996288	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+Na+K"	61.952376
"1676322"	244.982888	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Na+K"	61.952376
"263935"	920.042568	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+ACN+Na"	64.015768
"1239200"	492.029168	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+ACN+Na"	64.015768
"1724073"	492.052693	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+NH4+HCOOH"	64.039293
"1190888"	165.660351333333	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+3Na"	68.967654
"1661509"	497.008088	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+Na+HCOOH"	68.994688
"170927"	932.94584	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+2K-H"	76.91904
"610120"	1360.95924	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+2K-H"	76.91904
"1096454"	504.93244	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2K-H"	76.91904
"153640"	466.976558	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"2M+2K"	77.926316
"594293"	680.983258	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"3M+2K"	77.926316
"1080261"	252.969858	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2K"	77.926316
"1113837"	506.946992	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2K+H"	78.933592
"1348397"	507.034607	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+DMSO+H"	79.021207
"1019478"	511.073776	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2ACN+H"	83.060376
"1537602"	512.067408	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+IsoProp+Na+H"	84.054008
"1000765"	256.040526	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+2ACN+2H"	84.067652
"1599642"	512.982028	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+K+HCOOH"	84.968628
"1428221"	543.013538	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+H+CF3COOH"	115.000138
"1156695"	276.553801	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+3ACN+2H"	125.094202
"1702966"	560.040085	"C01347"	"dXDP"	"C10H14N4O11P2"	"428.0134"	"M+NH4+CF3COOH"	132.026685
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"979259"	488.96141	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-H2O-H"	-19.01839
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"887051"	168.319324	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-3H"	-3.021828
"6722"	506.972524	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M-2H"	-2.014552
"447375"	760.962424	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M-2H"	-2.014552
"820802"	252.982624	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-2H"	-2.014552
"84075"	1014.952324	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M-H"	-1.007276
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"54722"	1031.978871	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M-2H+NH4"	16.019271
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"867711"	523.999071	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-2H+NH4"	16.019271
"37800"	1036.934266	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M-2H+Na"	20.974666
"474202"	1544.914066	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M-2H+Na"	20.974666
"860632"	528.954466	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-2H+Na"	20.974666
"1630165"	528.954466	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Na-2H"	20.974666
"109128"	524.960863	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M-H+Cl"	33.962126
"544072"	778.950763	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M-H+Cl"	33.962126
"936494"	270.970963	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-H+Cl"	33.962126
"277237"	1050.929002	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+Cl"	34.969402
"671847"	1558.908802	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+Cl"	34.969402
"1287288"	542.949202	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Cl"	34.969402
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"467462"	1560.888006	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M-2H+K"	36.948606
"844170"	544.928406	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-2H+K"	36.948606
"1568748"	544.928406	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+K-2H"	36.948606
"955173"	552.977994	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-H+HCOOH"	44.998194
"376227"	1060.957801	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+HCOOH-H"	44.998201
"360190"	1074.973451	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+Hac-H"	59.013851
"1504282"	566.993651	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Hac-H"	59.013851
"968540"	574.959951	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-H+NaCOOH"	66.980151
"118546"	542.949202	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+2Cl"	69.938804
"555919"	796.939102	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+2Cl"	69.938804
"1029091"	288.959302	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2Cl"	69.938804
"1249765"	586.898685	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Br"	78.918885
"1305285"	588.954672	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Cl+HCOOH"	80.974872
"1322417"	610.936629	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Cl+NaCOOH"	102.956829
"912017"	620.965386	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M-H+CF3COOH"	112.985586
"1292011"	656.942064	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Cl+CF3COOH"	148.962264
"1376749"	472.967124	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H-2H2O"	-35.012676
"1388779"	490.9771	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H-H2O"	-17.0027
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"683072"	1524.946676	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+H"	1.007276
"1352860"	508.987076	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H"	1.007276
"132310"	508.987076	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+2H"	2.014552
"576245"	762.976976	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+2H"	2.014552
"1039579"	254.997176	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2H"	2.014552
"204925"	339.660476	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+3H"	3.021828
"647768"	508.987076	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+3H"	3.021828
"1163334"	170.333876	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+3H"	3.021828
"425884"	1033.993423	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+NH4"	18.033823
"790524"	1541.973223	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+NH4"	18.033823
"1687585"	526.013623	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+NH4"	18.033823
"335137"	517.5003495	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+H+NH4"	19.041099
"725731"	771.4902495	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+H+NH4"	19.041099
"1480287"	263.5104495	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H+NH4"	19.041099
"393500"	1038.948818	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+Na"	22.989218
"755589"	1546.928618	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+Na"	22.989218
"1603320"	530.969018	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Na"	22.989218
"314935"	519.978047	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+H+Na"	23.996494
"707598"	773.967947	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+H+Na"	23.996494
"1461782"	265.988147	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H+Na"	23.996494
"1053328"	177.66119	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2H+Na"	25.00377
"1258045"	541.013286	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+CH3OH+H"	33.033486
"380392"	1054.922758	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+K"	38.963158
"741025"	1562.902558	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+K"	38.963158
"1543079"	546.942958	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+K"	38.963158
"302078"	527.965017	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+H+K"	39.970434
"699238"	781.954917	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+H+K"	39.970434
"1454152"	273.975117	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H+K"	39.970434
"242754"	1057.993426	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+ACN+H"	42.033826
"1223116"	550.013626	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+ACN+H"	42.033826
"1205905"	275.510451	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+ACN+2H"	43.041102
"201327"	1060.93076	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+2Na-H"	44.97116
"639795"	1568.91056	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+2Na-H"	44.97116
"1134190"	552.95096	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2Na-H"	44.97116
"178573"	530.969018	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+2Na"	45.978436
"625788"	784.958918	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+2Na"	45.978436
"1119453"	276.979118	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2Na"	45.978436
"1406257"	184.988504	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H+2Na"	46.985712
"1445070"	554.992546	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+H+HCOOH"	47.012746
"232452"	536.00204	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+3H2O+2H"	56.04448
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"423241"	538.955988	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+Na+K"	61.952376
"784846"	792.945888	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+Na+K"	61.952376
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"1240401"	571.995568	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+ACN+Na"	64.015768
"1723454"	572.019093	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+NH4+HCOOH"	64.039293
"1191361"	192.315818	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+3Na"	68.967654
"1662713"	576.974488	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Na+HCOOH"	68.994688
"167754"	1092.87864	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+2K-H"	76.91904
"610230"	1600.85844	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+2K-H"	76.91904
"1096929"	584.89884	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2K-H"	76.91904
"151927"	546.942958	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"2M+2K"	77.926316
"594403"	800.932858	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"3M+2K"	77.926316
"1078186"	292.953058	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2K"	77.926316
"1112854"	586.913392	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2K+H"	78.933592
"1347048"	587.001007	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+DMSO+H"	79.021207
"1019588"	591.040176	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2ACN+H"	83.060376
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"999782"	296.023726	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+2ACN+2H"	84.067652
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"1640915"	644.96188	"C01348"	"dXTP"	"C10H15N4O14P3"	"507.9798"	"M+Na+CF3COOH"	136.98208
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"76362"	216.451524	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M-3H"	-3.021828
"511548"	325.180924	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M-3H"	-3.021828
"890443"	107.722124	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-3H"	-3.021828
"12299"	325.180924	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M-2H"	-2.014552
"444570"	488.275024	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M-2H"	-2.014552
"826380"	162.086824	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-2H"	-2.014552
"89655"	651.369124	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M-H"	-1.007276
"529219"	977.557324	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M-H"	-1.007276
"907023"	325.180924	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-H"	-1.007276
"60065"	668.395671	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M-2H+NH4"	16.019271
"497679"	994.583871	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M-2H+NH4"	16.019271
"877669"	342.207471	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-2H+NH4"	16.019271
"42289"	673.351066	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M-2H+Na"	20.974666
"481852"	999.539266	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M-2H+Na"	20.974666
"860745"	347.162866	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-2H+Na"	20.974666
"1628095"	347.162866	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Na-2H"	20.974666
"105718"	343.169263	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M-H+Cl"	33.962126
"544183"	506.263363	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M-H+Cl"	33.962126
"938791"	180.075163	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-H+Cl"	33.962126
"274067"	687.345802	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+Cl"	34.969402
"673051"	1013.534002	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+Cl"	34.969402
"1287642"	361.157602	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Cl"	34.969402
"30562"	689.325006	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M-2H+K"	36.948606
"469755"	1015.513206	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M-2H+K"	36.948606
"846465"	363.136806	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-2H+K"	36.948606
"1565578"	363.136806	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+K-2H"	36.948606
"955648"	371.186394	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-H+HCOOH"	44.998194
"374955"	697.374601	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+HCOOH-H"	44.998201
"360664"	711.390251	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+Hac-H"	59.013851
"1507432"	385.202051	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Hac-H"	59.013851
"972663"	393.168351	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-H+NaCOOH"	66.980151
"123033"	361.157602	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+2Cl"	69.938804
"559311"	524.251702	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+2Cl"	69.938804
"1021792"	198.063502	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2Cl"	69.938804
"1249877"	405.107085	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Br"	78.918885
"1304671"	407.163072	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Cl+HCOOH"	80.974872
"1323261"	429.145029	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Cl+NaCOOH"	102.956829
"918697"	439.173786	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M-H+CF3COOH"	112.985586
"1297595"	475.150464	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Cl+CF3COOH"	148.962264
"1374674"	291.175524	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H-2H2O"	-35.012676
"1392170"	309.1855	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H-H2O"	-17.0027
"292950"	653.383676	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+H"	1.007276
"682092"	979.571876	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+H"	1.007276
"1357350"	327.195476	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H"	1.007276
"129145"	327.195476	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+2H"	2.014552
"569797"	490.289576	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+2H"	2.014552
"1041877"	164.101376	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2H"	2.014552
"209778"	218.466076	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+3H"	3.021828
"651525"	327.195476	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+3H"	3.021828
"1163693"	109.736676	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+3H"	3.021828
"428911"	670.410223	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+NH4"	18.033823
"792093"	996.598423	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+NH4"	18.033823
"1689153"	344.222023	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+NH4"	18.033823
"336339"	335.7087495	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+H+NH4"	19.041099
"724385"	498.8028495	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+H+NH4"	19.041099
"1481857"	172.6146495	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H+NH4"	19.041099
"395799"	675.365618	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+Na"	22.989218
"754402"	1001.553818	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+Na"	22.989218
"1604039"	349.177418	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Na"	22.989218
"315169"	338.186447	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+H+Na"	23.996494
"710630"	501.280547	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+H+Na"	23.996494
"1463358"	175.092347	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H+Na"	23.996494
"1053446"	117.06399	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2H+Na"	25.00377
"1261561"	359.221686	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+CH3OH+H"	33.033486
"380135"	691.339558	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+K"	38.963158
"745506"	1017.527758	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+K"	38.963158
"1545371"	365.151358	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+K"	38.963158
"310201"	346.173417	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+H+K"	39.970434
"702626"	509.267517	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+H+K"	39.970434
"1459728"	183.079317	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H+K"	39.970434
"249426"	694.410226	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+ACN+H"	42.033826
"1218851"	368.222026	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+ACN+H"	42.033826
"1202732"	184.614651	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+ACN+2H"	43.041102
"200343"	697.34756	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+2Na-H"	44.97116
"639541"	1023.53576	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+2Na-H"	44.97116
"1142318"	371.15936	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2Na-H"	44.97116
"176497"	349.177418	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+2Na"	45.978436
"622985"	512.271518	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+2Na"	45.978436
"1123939"	186.083318	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2Na"	45.978436
"1412933"	124.391304	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H+2Na"	46.985712
"1439587"	373.200946	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H+HCOOH"	47.012746
"228188"	354.21044	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+3H2O+2H"	56.04448
"1516249"	387.25299	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+IsoProp+H"	61.06479
"419217"	357.164388	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+Na+K"	61.952376
"778024"	520.258488	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+Na+K"	61.952376
"1676538"	194.070288	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Na+K"	61.952376
"259779"	716.392168	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+ACN+Na"	64.015768
"1235768"	390.203968	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+ACN+Na"	64.015768
"1724659"	390.227493	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+NH4+HCOOH"	64.039293
"1187826"	131.718618	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+3Na"	68.967654
"1663185"	395.182888	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Na+HCOOH"	68.994688
"166770"	729.29544	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+2K-H"	76.91904
"606329"	1055.48364	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+2K-H"	76.91904
"1090842"	403.10724	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2K-H"	76.91904
"150942"	365.151358	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"2M+2K"	77.926316
"593417"	528.245458	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"3M+2K"	77.926316
"1081940"	202.057258	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2K"	77.926316
"1114909"	405.121792	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2K+H"	78.933592
"1350201"	405.209407	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+DMSO+H"	79.021207
"1018238"	409.248576	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2ACN+H"	83.060376
"1537091"	410.242208	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+IsoProp+Na+H"	84.054008
"1002813"	205.127926	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+2ACN+2H"	84.067652
"1597680"	411.156828	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+K+HCOOH"	84.968628
"1427712"	441.188338	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+H+CF3COOH"	115.000138
"1155821"	225.641201	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+3ACN+2H"	125.094202
"1703186"	458.214885	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+NH4+CF3COOH"	132.026685
"1641025"	463.17028	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+Na+CF3COOH"	136.98208
"1582143"	479.14422	"C01349"	"AA861;Docebenone"	"C21H26O3"	"326.1882"	"M+K+CF3COOH"	152.95602
"809227"	787.1728	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M"	0
"979479"	768.15441	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-H2O-H"	-19.01839
"74285"	523.774590666667	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M-3H"	-3.021828
"511658"	786.165524	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M-3H"	-3.021828
"889460"	261.383657333333	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-3H"	-3.021828
"13140"	786.165524	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M-2H"	-2.014552
"446502"	1179.751924	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M-2H"	-2.014552
"824303"	392.579124	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-2H"	-2.014552
"81017"	1573.338324	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M-H"	-1.007276
"519486"	2360.511124	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M-H"	-1.007276
"907133"	786.165524	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-H"	-1.007276
"59324"	1590.364871	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M-2H+NH4"	16.019271
"496696"	2377.537671	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M-2H+NH4"	16.019271
"877416"	803.192071	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-2H+NH4"	16.019271
"41306"	1595.320266	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M-2H+Na"	20.974666
"483055"	2382.493066	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M-2H+Na"	20.974666
"857575"	808.147466	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-2H+Na"	20.974666
"1624923"	808.147466	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Na-2H"	20.974666
"101452"	804.153863	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M-H+Cl"	33.962126
"545384"	1197.740263	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M-H+Cl"	33.962126
"940964"	410.567463	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-H+Cl"	33.962126
"280735"	1609.315002	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+Cl"	34.969402
"673156"	2396.487802	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+Cl"	34.969402
"1283372"	822.142202	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Cl"	34.969402
"23741"	1611.294206	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M-2H+K"	36.948606
"465490"	2398.467006	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M-2H+K"	36.948606
"843291"	824.121406	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-2H+K"	36.948606
"1561314"	824.121406	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+K-2H"	36.948606
"954663"	832.170994	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-H+HCOOH"	44.998194
"374702"	1619.343801	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+HCOOH-H"	44.998201
"358949"	1633.359451	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+Hac-H"	59.013851
"1506692"	846.186651	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Hac-H"	59.013851
"970950"	854.152951	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-H+NaCOOH"	66.980151
"119860"	822.142202	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+2Cl"	69.938804
"558326"	1215.728602	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+2Cl"	69.938804
"1027122"	428.555802	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2Cl"	69.938804
"1249982"	866.091685	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Br"	78.918885
"1313527"	868.147672	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Cl+HCOOH"	80.974872
"1323372"	890.129629	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Cl+NaCOOH"	102.956829
"918807"	900.158386	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M-H+CF3COOH"	112.985586
"1295516"	936.135064	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Cl+CF3COOH"	148.962264
"1380248"	752.160124	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H-2H2O"	-35.012676
"1395557"	770.1701	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H-H2O"	-17.0027
"294151"	1575.352876	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+H"	1.007276
"681109"	2362.525676	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+H"	1.007276
"1357460"	788.180076	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H"	1.007276
"132534"	788.180076	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+2H"	2.014552
"571000"	1181.766476	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+2H"	2.014552
"1040894"	394.593676	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2H"	2.014552
"206969"	525.789142666667	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+3H"	3.021828
"647259"	788.180076	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+3H"	3.021828
"1166844"	263.398209333333	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+3H"	3.021828
"429024"	1592.379423	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+NH4"	18.033823
"790746"	2379.552223	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+NH4"	18.033823
"1689263"	805.206623	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+NH4"	18.033823
"337542"	796.6933495	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+H+NH4"	19.041099
"724860"	1190.2797495	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+H+NH4"	19.041099
"1479417"	403.1069495	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H+NH4"	19.041099
"393153"	1597.334818	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+Na"	22.989218
"756176"	2384.507618	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+Na"	22.989218
"1603096"	810.162018	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Na"	22.989218
"314794"	799.171047	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+H+Na"	23.996494
"711835"	1192.757447	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+H+Na"	23.996494
"1462739"	405.584647	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H+Na"	23.996494
"1052856"	270.725523333333	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2H+Na"	25.00377
"1261674"	820.206286	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+CH3OH+H"	33.033486
"380248"	1613.308758	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+K"	38.963158
"741608"	2400.481558	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+K"	38.963158
"1548764"	826.135958	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+K"	38.963158
"309222"	807.158017	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+H+K"	39.970434
"695084"	1200.744417	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+H+K"	39.970434
"1457289"	413.571617	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H+K"	39.970434
"250264"	1616.379426	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+ACN+H"	42.033826
"1215683"	829.206626	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+ACN+H"	42.033826
"1202842"	415.106951	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+ACN+2H"	43.041102
"200454"	1619.31676	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+2Na-H"	44.97116
"640746"	2406.48956	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+2Na-H"	44.97116
"1137690"	832.14396	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2Na-H"	44.97116
"174421"	810.162018	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+2Na"	45.978436
"616534"	1203.748418	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+2Na"	45.978436
"1124049"	416.575618	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2Na"	45.978436
"1409762"	278.052837333333	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H+2Na"	46.985712
"1434229"	834.185546	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H+HCOOH"	47.012746
"226109"	815.19504	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+3H2O+2H"	56.04448
"1517454"	848.23759	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+IsoProp+H"	61.06479
"416046"	818.148988	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+Na+K"	61.952376
"777040"	1211.735388	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+Na+K"	61.952376
"1673368"	424.562588	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Na+K"	61.952376
"259888"	1638.361368	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+ACN+Na"	64.015768
"1236972"	851.188568	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+ACN+Na"	64.015768
"1722584"	851.212093	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+NH4+HCOOH"	64.039293
"1187938"	285.380151333333	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+3Na"	68.967654
"1657828"	856.167488	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Na+HCOOH"	68.994688
"162505"	1651.26464	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+2K-H"	76.91904
"605346"	2438.43744	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+2K-H"	76.91904
"1092048"	864.09184	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2K-H"	76.91904
"148866"	826.135958	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"2M+2K"	77.926316
"594987"	1219.722358	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"3M+2K"	77.926316
"1080593"	432.549558	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2K"	77.926316
"1115225"	866.106392	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2K+H"	78.933592
"1350432"	866.194007	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+DMSO+H"	79.021207
"1020421"	870.233176	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2ACN+H"	83.060376
"1538663"	871.226808	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+IsoProp+Na+H"	84.054008
"1001101"	435.620226	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+2ACN+2H"	84.067652
"1601435"	872.141428	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+K+HCOOH"	84.968628
"1428917"	902.172938	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+H+CF3COOH"	115.000138
"1157025"	456.133501	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+3ACN+2H"	125.094202
"1702203"	919.199485	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+NH4+CF3COOH"	132.026685
"1641135"	924.15488	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+Na+CF3COOH"	136.98208
"1582253"	940.12882	"C01352"	"FADH2"	"C27H35N9O15P2"	"787.1728"	"M+K+CF3COOH"	152.95602
"809337"	62.0004	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M"	0
"979589"	42.98201	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-H2O-H"	-19.01839
"68927"	40.326324	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M-3H"	-3.021828
"508488"	60.993124	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M-3H"	-3.021828
"889570"	19.659524	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-3H"	-3.021828
"14342"	60.993124	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M-2H"	-2.014552
"447707"	91.993324	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M-2H"	-2.014552
"826601"	29.992924	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-2H"	-2.014552
"84405"	122.993524	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M-H"	-1.007276
"527251"	184.993924	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M-H"	-1.007276
"899584"	60.993124	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-H"	-1.007276
"59434"	140.020071	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M-2H+NH4"	16.019271
"496806"	202.020471	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M-2H+NH4"	16.019271
"874611"	78.019671	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-2H+NH4"	16.019271
"39229"	144.975466	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M-2H+Na"	20.974666
"476604"	206.975866	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M-2H+Na"	20.974666
"857685"	82.975066	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-2H+Na"	20.974666
"1625033"	82.975066	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Na-2H"	20.974666
"101561"	78.981463	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M-H+Cl"	33.962126
"545494"	109.981663	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M-H+Cl"	33.962126
"937914"	47.981263	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-H+Cl"	33.962126
"280724"	158.970202	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+Cl"	34.969402
"667799"	220.970602	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+Cl"	34.969402
"1283483"	96.969802	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Cl"	34.969402
"26038"	160.949406	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M-2H+K"	36.948606
"462320"	222.949806	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M-2H+K"	36.948606
"843401"	98.949006	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-2H+K"	36.948606
"1559237"	98.949006	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+K-2H"	36.948606
"952587"	106.998594	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-H+HCOOH"	44.998194
"372625"	168.999001	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+HCOOH-H"	44.998201
"353592"	183.014651	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+Hac-H"	59.013851
"1506800"	121.014251	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Hac-H"	59.013851
"968507"	128.980551	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-H+NaCOOH"	66.980151
"119970"	96.969802	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+2Cl"	69.938804
"557343"	127.970002	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+2Cl"	69.938804
"1027960"	65.969602	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2Cl"	69.938804
"1248999"	140.919285	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Br"	78.918885
"1314730"	142.975272	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Cl+HCOOH"	80.974872
"1323483"	164.957229	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Cl+NaCOOH"	102.956829
"920010"	174.985986	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M-H+CF3COOH"	112.985586
"1295626"	210.962664	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Cl+CF3COOH"	148.962264
"1381088"	26.987724	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H-2H2O"	-35.012676
"1395667"	44.9977	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H-H2O"	-17.0027
"294261"	125.008076	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+H"	1.007276
"687776"	187.008476	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+H"	1.007276
"1356477"	63.007676	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H"	1.007276
"131551"	63.007676	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+2H"	2.014552
"572205"	94.007876	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+2H"	2.014552
"1038448"	32.007476	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2H"	2.014552
"209997"	42.340876	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+3H"	3.021828
"646639"	63.007676	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+3H"	3.021828
"1166589"	21.674076	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+3H"	3.021828
"430954"	142.034623	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+NH4"	18.033823
"793042"	204.035023	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+NH4"	18.033823
"1691560"	80.034223	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+NH4"	18.033823
"337651"	71.5209495	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+H+NH4"	19.041099
"726064"	102.5211495	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+H+NH4"	19.041099
"1477826"	40.5207495	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H+NH4"	19.041099
"393470"	146.990018	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+Na"	22.989218
"754829"	208.990418	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+Na"	22.989218
"1602962"	84.989618	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Na"	22.989218
"314541"	73.998647	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+H+Na"	23.996494
"710852"	104.998847	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+H+Na"	23.996494
"1463580"	42.998447	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H+Na"	23.996494
"1052808"	29.00139	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2H+Na"	25.00377
"1259597"	95.033886	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+CH3OH+H"	33.033486
"380358"	162.963958	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+K"	38.963158
"744634"	224.964358	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+K"	38.963158
"1548874"	100.963558	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+K"	38.963158
"311518"	81.985617	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+H+K"	39.970434
"703577"	112.985817	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+H+K"	39.970434
"1460438"	50.985417	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H+K"	39.970434
"250984"	166.034626	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+ACN+H"	42.033826
"1219074"	104.034226	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+ACN+H"	42.033826
"1204048"	52.520751	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+ACN+2H"	43.041102
"202874"	168.97196	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+2Na-H"	44.97116
"642923"	230.97236	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+2Na-H"	44.97116
"1142903"	106.97156	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2Na-H"	44.97116
"179997"	84.989618	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+2Na"	45.978436
"616644"	115.989818	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+2Na"	45.978436
"1119784"	53.989418	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2Na"	45.978436
"1411332"	36.328704	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H+2Na"	46.985712
"1438351"	109.013146	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H+HCOOH"	47.012746
"227315"	90.02264	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+3H2O+2H"	56.04448
"1517200"	123.06519	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+IsoProp+H"	61.06479
"418708"	92.976588	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+Na+K"	61.952376
"779339"	123.976788	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+Na+K"	61.952376
"1672386"	61.976388	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Na+K"	61.952376
"260730"	188.016568	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+ACN+Na"	64.015768
"1237449"	126.016168	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+ACN+Na"	64.015768
"1722697"	126.039693	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+NH4+HCOOH"	64.039293
"1188415"	43.656018	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+3Na"	68.967654
"1660491"	130.995088	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Na+HCOOH"	68.994688
"163711"	200.91984	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+2K-H"	76.91904
"606917"	262.92024	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+2K-H"	76.91904
"1094347"	138.91944	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2K-H"	76.91904
"154443"	100.963558	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"2M+2K"	77.926316
"596722"	131.963758	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"3M+2K"	77.926316
"1083990"	69.963358	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2K"	77.926316
"1115620"	140.933992	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2K+H"	78.933592
"1350868"	141.021607	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+DMSO+H"	79.021207
"1020531"	145.060776	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2ACN+H"	83.060376
"1536587"	146.054408	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+IsoProp+Na+H"	84.054008
"1001940"	73.034026	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+2ACN+2H"	84.067652
"1597901"	146.969028	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+K+HCOOH"	84.968628
"1428298"	177.000538	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+H+CF3COOH"	115.000138
"1157135"	93.547301	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+3ACN+2H"	125.094202
"1702313"	194.027085	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+NH4+CF3COOH"	132.026685
"1641245"	198.98248	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+Na+CF3COOH"	136.98208
"1582363"	214.95642	"C01353"	"Carbonic acid;Dihydrogen carbonate;H2CO3"	"H2CO3"	"62.0004"	"M+K+CF3COOH"	152.95602
"803982"	35.0371	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M"	0
"979703"	16.01871	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-H2O-H"	-19.01839
"76694"	22.3507906666667	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M-3H"	-3.021828
"509695"	34.029824	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M-3H"	-3.021828
"883123"	10.6717573333333	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-3H"	-3.021828
"4978"	34.029824	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M-2H"	-2.014552
"444535"	51.548374	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M-2H"	-2.014552
"822343"	16.511274	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-2H"	-2.014552
"87805"	69.066924	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M-H"	-1.007276
"527369"	104.104024	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M-H"	-1.007276
"904079"	34.029824	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-H"	-1.007276
"52985"	86.093471	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M-2H+NH4"	16.019271
"488898"	121.130571	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M-2H+NH4"	16.019271
"865973"	51.056371	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-2H+NH4"	16.019271
"33144"	91.048866	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M-2H+Na"	20.974666
"477079"	126.085966	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M-2H+Na"	20.974666
"850141"	56.011766	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-2H+Na"	20.974666
"1620038"	56.011766	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Na-2H"	20.974666
"97296"	52.018163	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M-H+Cl"	33.962126
"536853"	69.536713	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M-H+Cl"	33.962126
"930372"	34.499613	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-H+Cl"	33.962126
"270383"	105.043602	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+Cl"	34.969402
"665720"	140.080702	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+Cl"	34.969402
"1275576"	70.006502	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Cl"	34.969402
"19588"	107.022806	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M-2H+K"	36.948606
"459151"	142.059906	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M-2H+K"	36.948606
"836954"	71.985706	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-2H+K"	36.948606
"1565909"	71.985706	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+K-2H"	36.948606
"947230"	80.035294	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-H+HCOOH"	44.998194
"364351"	115.072401	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+HCOOH-H"	44.998201
"354798"	129.088051	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+Hac-H"	59.013851
"1506914"	94.050951	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Hac-H"	59.013851
"970079"	102.017251	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-H+NaCOOH"	66.980151
"118986"	70.006502	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+2Cl"	69.938804
"556357"	87.525052	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+2Cl"	69.938804
"1033544"	52.487952	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2Cl"	69.938804
"1248024"	113.955985	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Br"	78.918885
"1314485"	116.011972	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Cl+HCOOH"	80.974872
"1325782"	137.993929	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Cl+NaCOOH"	102.956829
"921221"	148.022686	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M-H+CF3COOH"	112.985586
"1297570"	183.999364	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Cl+CF3COOH"	148.962264
"1376093"	0.0244240000000033	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H-2H2O"	-35.012676
"1387030"	18.0344	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H-H2O"	-17.0027
"288908"	71.081476	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+H"	1.007276
"680237"	106.118576	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+H"	1.007276
"1352210"	36.044376	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H"	1.007276
"125858"	36.044376	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+2H"	2.014552
"566188"	53.562926	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+2H"	2.014552
"1038921"	18.525826	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2H"	2.014552
"205728"	24.3653426666667	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+3H"	3.021828
"644801"	36.044376	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+3H"	3.021828
"1164506"	12.6863093333333	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+3H"	3.021828
"426322"	88.108023	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+NH4"	18.033823
"787684"	123.145123	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+NH4"	18.033823
"1683288"	53.070923	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+NH4"	18.033823
"333391"	44.5576495	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+H+NH4"	19.041099
"726182"	62.0761995	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+H+NH4"	19.041099
"1481821"	27.0390995	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H+NH4"	19.041099
"397220"	93.063418	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+Na"	22.989218
"759310"	128.100518	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+Na"	22.989218
"1609596"	58.026318	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Na"	22.989218
"319634"	47.035347	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+H+Na"	23.996494
"709870"	64.553897	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+H+Na"	23.996494
"1465877"	29.516797	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H+Na"	23.996494
"1058029"	20.0136233333333	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2H+Na"	25.00377
"1258980"	68.070586	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+CH3OH+H"	33.033486
"384843"	109.037358	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+K"	38.963158
"743649"	144.074458	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+K"	38.963158
"1548983"	74.000258	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+K"	38.963158
"311266"	55.022317	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+H+K"	39.970434
"705146"	72.540867	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+H+K"	39.970434
"1458598"	37.503767	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H+K"	39.970434
"247931"	112.108026	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+ACN+H"	42.033826
"1220274"	77.070926	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+ACN+H"	42.033826
"1203062"	39.039101	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+ACN+2H"	43.041102
"194839"	115.04536	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+2Na-H"	44.97116
"633678"	150.08246	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+2Na-H"	44.97116
"1137185"	80.00826	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2Na-H"	44.97116
"184493"	58.026318	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+2Na"	45.978436
"626235"	75.544868	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+2Na"	45.978436
"1123181"	40.507768	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2Na"	45.978436
"1408527"	27.3409373333333	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H+2Na"	46.985712
"1441376"	82.049846	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H+HCOOH"	47.012746
"228519"	63.05934	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+3H2O+2H"	56.04448
"1514391"	96.10189	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+IsoProp+H"	61.06479
"412983"	66.013288	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+Na+K"	61.952376
"776165"	83.531838	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+Na+K"	61.952376
"1673590"	48.494738	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Na+K"	61.952376
"260477"	134.089968	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+ACN+Na"	64.015768
"1233915"	99.052868	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+ACN+Na"	64.015768
"1725354"	99.076393	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+NH4+HCOOH"	64.039293
"1188157"	34.6682513333333	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+3Na"	68.967654
"1659146"	104.031788	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Na+HCOOH"	68.994688
"168192"	146.99324	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+2K-H"	76.91904
"607755"	182.03034	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+2K-H"	76.91904
"1094819"	111.95614	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2K-H"	76.91904
"152729"	74.000258	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"2M+2K"	77.926316
"593383"	91.518808	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"3M+2K"	77.926316
"1080811"	56.481708	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2K"	77.926316
"1110740"	113.970692	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2K+H"	78.933592
"1347854"	114.058307	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+DMSO+H"	79.021207
"1013464"	118.097476	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2ACN+H"	83.060376
"1531589"	119.091108	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+IsoProp+Na+H"	84.054008
"999131"	59.552376	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+2ACN+2H"	84.067652
"1589264"	120.005728	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+K+HCOOH"	84.968628
"1420395"	150.037238	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+H+CF3COOH"	115.000138
"1151778"	80.065651	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+3ACN+2H"	125.094202
"1702422"	167.063785	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+NH4+CF3COOH"	132.026685
"1634794"	172.01918	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+Na+CF3COOH"	136.98208
"1582475"	187.99312	"C01358"	"NH4OH;Ammonium hydroxide"	"NH4OH"	"35.0371"	"M+K+CF3COOH"	152.95602
"803363"	332.0281	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M"	0
"983093"	313.00971	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-H2O-H"	-19.01839
"75710"	220.344790666667	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M-3H"	-3.021828
"513085"	331.020824	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M-3H"	-3.021828
"885420"	109.668757333333	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-3H"	-3.021828
"6181"	331.020824	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M-2H"	-2.014552
"443553"	497.034874	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M-2H"	-2.014552
"825733"	165.006774	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-2H"	-2.014552
"93382"	663.048924	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M-H"	-1.007276
"531490"	995.077024	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M-H"	-1.007276
"904189"	331.020824	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-H"	-1.007276
"50178"	680.075471	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M-2H+NH4"	16.019271
"493020"	1012.103571	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M-2H+NH4"	16.019271
"868634"	348.047371	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-2H+NH4"	16.019271
"34348"	685.030866	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M-2H+Na"	20.974666
"476460"	1017.058966	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M-2H+Na"	20.974666
"853533"	353.002766	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-2H+Na"	20.974666
"1621608"	353.002766	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Na-2H"	20.974666
"95460"	349.009163	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M-H+Cl"	33.962126
"535144"	515.023213	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M-H+Cl"	33.962126
"933762"	182.995113	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-H+Cl"	33.962126
"270860"	699.025602	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+Cl"	34.969402
"671299"	1031.053702	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+Cl"	34.969402
"1278238"	366.997502	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Cl"	34.969402
"24073"	701.004806	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M-2H+K"	36.948606
"461448"	1033.032906	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M-2H+K"	36.948606
"837064"	368.976706	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-2H+K"	36.948606
"1562739"	368.976706	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+K-2H"	36.948606
"946246"	377.026294	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-H+HCOOH"	44.998194
"363366"	709.054401	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+HCOOH-H"	44.998201
"354908"	723.070051	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+Hac-H"	59.013851
"1506298"	391.041951	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Hac-H"	59.013851
"971283"	399.008251	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-H+NaCOOH"	66.980151
"120189"	366.997502	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+2Cl"	69.938804
"558654"	533.011552	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+2Cl"	69.938804
"1033655"	200.983452	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2Cl"	69.938804
"1248134"	410.946985	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Br"	78.918885
"1312770"	413.002972	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Cl+HCOOH"	80.974872
"1329171"	434.984929	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Cl+NaCOOH"	102.956829
"921330"	445.013686	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M-H+CF3COOH"	112.985586
"1299137"	480.990364	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Cl+CF3COOH"	148.962264
"1370736"	297.015424	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H-2H2O"	-35.012676
"1389326"	315.0254	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H-H2O"	-17.0027
"292294"	665.063476	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+H"	1.007276
"678524"	997.091576	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+H"	1.007276
"1352685"	333.035376	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H"	1.007276
"129944"	333.035376	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+2H"	2.014552
"566585"	499.049426	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+2H"	2.014552
"1038666"	167.021326	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2H"	2.014552
"206565"	222.359342666667	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+3H"	3.021828
"647220"	333.035376	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+3H"	3.021828
"1164979"	111.683309333333	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+3H"	3.021828
"429347"	682.090023	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+NH4"	18.033823
"788521"	1014.118123	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+NH4"	18.033823
"1683032"	350.061923	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+NH4"	18.033823
"335692"	341.5486495	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+H+NH4"	19.041099
"727023"	507.5626995	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+H+NH4"	19.041099
"1480838"	175.5345995	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H+NH4"	19.041099
"398424"	687.045418	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+Na"	22.989218
"758329"	1019.073518	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+Na"	22.989218
"1605696"	355.017318	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Na"	22.989218
"319743"	344.026347	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+H+Na"	23.996494
"715443"	510.040397	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+H+Na"	23.996494
"1465985"	178.012297	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H+Na"	23.996494
"1057046"	119.010623333333	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2H+Na"	25.00377
"1265284"	365.061586	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+CH3OH+H"	33.033486
"382764"	703.019358	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+K"	38.963158
"744853"	1035.047458	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+K"	38.963158
"1551280"	370.991258	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+K"	38.963158
"313439"	352.013317	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+H+K"	39.970434
"706349"	518.027367	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+H+K"	39.970434
"1457978"	185.999267	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H+K"	39.970434
"247675"	706.090026	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+ACN+H"	42.033826
"1222936"	374.061926	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+ACN+H"	42.033826
"1202079"	187.534601	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+ACN+2H"	43.041102
"193857"	709.02736	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+2Na-H"	44.97116
"635610"	1041.05546	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+2Na-H"	44.97116
"1137295"	376.99926	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2Na-H"	44.97116
"184967"	355.017318	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+2Na"	45.978436
"626346"	521.031368	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+2Na"	45.978436
"1123291"	189.003268	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2Na"	45.978436
"1403534"	126.337937333333	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H+2Na"	46.985712
"1438205"	379.040846	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H+HCOOH"	47.012746
"227534"	360.05034	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+3H2O+2H"	56.04448
"1514503"	393.09289	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+IsoProp+H"	61.06479
"415284"	363.004288	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+Na+K"	61.952376
"775550"	529.018338	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+Na+K"	61.952376
"1672607"	196.990238	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Na+K"	61.952376
"259126"	728.071968	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+ACN+Na"	64.015768
"1235115"	396.043868	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+ACN+Na"	64.015768
"1721816"	396.067393	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+NH4+HCOOH"	64.039293
"1190087"	133.665251333333	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+3Na"	68.967654
"1660711"	401.022788	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Na+HCOOH"	68.994688
"165021"	740.97524	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+2K-H"	76.91904
"607137"	1073.00334	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+2K-H"	76.91904
"1094930"	408.94714	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2K-H"	76.91904
"155027"	370.991258	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"2M+2K"	77.926316
"593493"	537.005308	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"3M+2K"	77.926316
"1082014"	204.977208	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2K"	77.926316
"1112309"	410.961692	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2K+H"	78.933592
"1349788"	411.049307	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+DMSO+H"	79.021207
"1014668"	415.088476	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2ACN+H"	83.060376
"1532793"	416.082108	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+IsoProp+Na+H"	84.054008
"997053"	208.047876	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+2ACN+2H"	84.067652
"1590470"	416.996728	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+K+HCOOH"	84.968628
"1418319"	447.028238	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+H+CF3COOH"	115.000138
"1151888"	228.561151	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+3ACN+2H"	125.094202
"1701439"	464.054785	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+NH4+CF3COOH"	132.026685
"1635996"	469.01018	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+Na+CF3COOH"	136.98208
"1582585"	484.98412	"C01359"	"PQQH2;Reduced pyrroloquinoline-quinone"	"C14H8N2O8"	"332.0281"	"M+K+CF3COOH"	152.95602
"813060"	347.0631	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M"	0
"986595"	328.04471	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H2O-H"	-19.01839
"64996"	230.368124	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-3H"	-3.021828
"503464"	346.055824	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-3H"	-3.021828
"882359"	114.680424	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-3H"	-3.021828
"3120"	346.055824	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H"	-2.014552
"452528"	519.587374	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H"	-2.014552
"830700"	172.524274	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H"	-2.014552
"91417"	693.118924	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H"	-1.007276
"528795"	1040.182024	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H"	-1.007276
"901129"	346.055824	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H"	-1.007276
"53317"	710.145471	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+NH4"	16.019271
"497248"	1057.208571	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+NH4"	16.019271
"865936"	363.082371	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+NH4"	16.019271
"37486"	715.100866	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+Na"	20.974666
"473763"	1062.163966	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+Na"	20.974666
"849376"	368.037766	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+Na"	20.974666
"1618701"	368.037766	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na-2H"	20.974666
"95072"	364.044163	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H+Cl"	33.962126
"536454"	537.575713	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H+Cl"	33.962126
"929971"	190.512613	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+Cl"	33.962126
"269623"	729.095602	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Cl"	34.969402
"666054"	1076.158702	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Cl"	34.969402
"1278457"	382.032502	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl"	34.969402
"27576"	731.074806	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+K"	36.948606
"462764"	1078.137906	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+K"	36.948606
"841661"	384.011706	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+K"	36.948606
"1564053"	384.011706	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K-2H"	36.948606
"950843"	392.061294	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+HCOOH"	44.998194
"375626"	739.124401	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+HCOOH-H"	44.998201
"357686"	753.140051	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Hac-H"	59.013851
"1506880"	406.076951	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Hac-H"	59.013851
"972963"	414.043251	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+NaCOOH"	66.980151
"119316"	382.032502	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Cl"	69.938804
"553414"	555.564052	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Cl"	69.938804
"1030959"	208.500952	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Cl"	69.938804
"1247256"	425.981985	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Br"	78.918885
"1306425"	428.037972	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+HCOOH"	80.974872
"1321744"	450.019929	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+NaCOOH"	102.956829
"913168"	460.048686	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+CF3COOH"	112.985586
"1293891"	496.025364	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+CF3COOH"	148.962264
"1370959"	312.050424	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-2H2O"	-35.012676
"1385540"	330.0604	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-H2O"	-17.0027
"288144"	695.133476	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H"	1.007276
"682752"	1042.196576	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H"	1.007276
"1352901"	348.070376	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H"	1.007276
"125986"	348.070376	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2H"	2.014552
"566564"	521.601926	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2H"	2.014552
"1037672"	174.538826	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H"	2.014552
"204396"	232.382676	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H"	3.021828
"645254"	348.070376	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+3H"	3.021828
"1163012"	116.694976	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3H"	3.021828
"427013"	712.160023	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+NH4"	18.033823
"785905"	1059.223123	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+NH4"	18.033823
"1683259"	365.096923	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4"	18.033823
"331535"	356.5836495	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+NH4"	19.041099
"725416"	530.1151995	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+NH4"	19.041099
"1478873"	183.0520995	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+NH4"	19.041099
"396821"	717.115418	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na"	22.989218
"754286"	1064.178518	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na"	22.989218
"1604457"	370.052318	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na"	22.989218
"314490"	359.061347	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+Na"	23.996494
"707278"	532.592897	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+Na"	23.996494
"1463288"	185.529797	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+Na"	23.996494
"1056171"	124.02229	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H+Na"	25.00377
"1261493"	380.096586	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+CH3OH+H"	33.033486
"385172"	733.089358	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+K"	38.963158
"748355"	1080.152458	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+K"	38.963158
"1550407"	386.026258	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K"	38.963158
"311957"	367.048317	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+K"	39.970434
"703285"	540.579867	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+K"	39.970434
"1452733"	193.516767	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+K"	39.970434
"241334"	736.160026	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+H"	42.033826
"1217325"	389.096926	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+H"	42.033826
"1197927"	195.052101	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+2H"	43.041102
"191891"	739.09736	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na-H"	44.97116
"631093"	1086.16046	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na-H"	44.97116
"1137151"	392.03426	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na-H"	44.97116
"184819"	370.052318	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na"	45.978436
"620006"	543.583868	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na"	45.978436
"1117678"	196.520768	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na"	45.978436
"1400839"	131.349604	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+2Na"	46.985712
"1439152"	394.075846	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+HCOOH"	47.012746
"221195"	375.08534	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H2O+2H"	56.04448
"1514724"	408.12789	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+H"	61.06479
"413312"	378.039288	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na+K"	61.952376
"771397"	551.570838	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na+K"	61.952376
"1667725"	204.507738	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+K"	61.952376
"254976"	758.141968	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+Na"	64.015768
"1232059"	411.078868	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+Na"	64.015768
"1720215"	411.102393	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+HCOOH"	64.039293
"1184114"	138.676918	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3Na"	68.967654
"1657288"	416.057788	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+HCOOH"	68.994688
"165241"	771.04524	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K-H"	76.91904
"606992"	1118.10834	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K-H"	76.91904
"1097702"	423.98214	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K-H"	76.91904
"153790"	386.026258	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K"	77.926316
"593349"	559.557808	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K"	77.926316
"1080048"	212.494708	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K"	77.926316
"1108884"	425.996692	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K+H"	78.933592
"1350616"	426.084307	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+DMSO+H"	79.021207
"1015981"	430.123476	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+H"	83.060376
"1531919"	431.117108	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+Na+H"	84.054008
"994000"	215.565376	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+2H"	84.067652
"1593971"	432.031728	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+HCOOH"	84.968628
"1420727"	462.063238	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+CF3COOH"	115.000138
"1149921"	236.078651	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3ACN+2H"	125.094202
"1700567"	479.089785	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+CF3COOH"	132.026685
"1641685"	484.04518	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+CF3COOH"	136.98208
"1582806"	500.01912	"C01367"	"3-AMP;3-Adenylic acid;3-Adenosine monophosphate;Adenosine-3-monophosphate;Adenosine 3-phosphate;AMP 3-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+CF3COOH"	152.95602
"803329"	324.0359	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M"	0
"986705"	305.01751	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H2O-H"	-19.01839
"64012"	215.016657333333	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-3H"	-3.021828
"503574"	323.028624	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-3H"	-3.021828
"881737"	107.004690666667	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-3H"	-3.021828
"270"	323.028624	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H"	-2.014552
"443882"	485.046574	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H"	-2.014552
"828260"	161.010674	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H"	-2.014552
"91527"	647.064524	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-H"	-1.007276
"530726"	971.100424	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-H"	-1.007276
"899052"	323.028624	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H"	-1.007276
"51240"	664.091071	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+NH4"	16.019271
"491162"	988.126971	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+NH4"	16.019271
"865315"	340.055171	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+NH4"	16.019271
"33580"	669.046466	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+Na"	20.974666
"472777"	993.082366	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+Na"	20.974666
"849116"	345.010566	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+Na"	20.974666
"1618893"	345.010566	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na-2H"	20.974666
"95907"	341.016963	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-H+Cl"	33.962126
"535470"	503.034913	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-H+Cl"	33.962126
"927895"	178.999013	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+Cl"	33.962126
"268275"	683.041202	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Cl"	34.969402
"661792"	1007.077102	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Cl"	34.969402
"1275289"	359.005302	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl"	34.969402
"22219"	685.020406	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+K"	36.948606
"462873"	1009.056306	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+K"	36.948606
"841771"	360.984506	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+K"	36.948606
"1566352"	360.984506	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K-2H"	36.948606
"950953"	369.034094	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+HCOOH"	44.998194
"375735"	693.070001	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+HCOOH-H"	44.998201
"357430"	707.085651	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Hac-H"	59.013851
"1506261"	383.049751	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Hac-H"	59.013851
"970521"	391.016051	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+NaCOOH"	66.980151
"116146"	359.005302	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Cl"	69.938804
"553524"	521.023252	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Cl"	69.938804
"1034349"	196.987352	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Cl"	69.938804
"1244087"	402.954785	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Br"	78.918885
"1307630"	405.010772	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+HCOOH"	80.974872
"1321490"	426.992729	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+NaCOOH"	102.956829
"914372"	437.021486	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+CF3COOH"	112.985586
"1292178"	472.998164	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+CF3COOH"	148.962264
"1371069"	289.023224	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H-2H2O"	-35.012676
"1385287"	307.0332	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H-H2O"	-17.0027
"287160"	649.079076	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H"	1.007276
"681767"	973.114976	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H"	1.007276
"1351919"	325.043176	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H"	1.007276
"126629"	325.043176	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2H"	2.014552
"567282"	487.061126	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2H"	2.014552
"1038511"	163.025226	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2H"	2.014552
"205924"	217.031209333333	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+3H"	3.021828
"645486"	325.043176	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+3H"	3.021828
"1163730"	109.019242666667	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3H"	3.021828
"427124"	666.105623	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+NH4"	18.033823
"786664"	990.141523	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+NH4"	18.033823
"1683005"	342.069723	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4"	18.033823
"330674"	333.5564495	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+NH4"	19.041099
"723334"	495.5743995	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+NH4"	19.041099
"1477523"	171.5384995	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+NH4"	19.041099
"395474"	671.061018	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Na"	22.989218
"754639"	995.096918	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Na"	22.989218
"1603837"	347.025118	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na"	22.989218
"314717"	336.034147	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+Na"	23.996494
"707463"	498.052097	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+Na"	23.996494
"1461610"	174.016197	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+Na"	23.996494
"1053729"	116.346556666667	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2H+Na"	25.00377
"1259417"	357.069386	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+CH3OH+H"	33.033486
"380909"	687.034958	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+K"	38.963158
"741903"	1011.070858	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+K"	38.963158
"1550517"	362.999058	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K"	38.963158
"309881"	344.021117	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+K"	39.970434
"702301"	506.039067	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+K"	39.970434
"1451750"	182.003167	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+K"	39.970434
"239257"	690.105626	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+ACN+H"	42.033826
"1217436"	366.069726	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+H"	42.033826
"1196943"	183.538501	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+2H"	43.041102
"192002"	693.04296	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Na-H"	44.97116
"631932"	1017.07886	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Na-H"	44.97116
"1135438"	369.00706	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Na-H"	44.97116
"184927"	347.025118	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Na"	45.978436
"620116"	509.043068	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Na"	45.978436
"1118394"	185.007168	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Na"	45.978436
"1401678"	123.673870666667	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+2Na"	46.985712
"1439261"	371.048646	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+HCOOH"	47.012746
"226770"	352.05814	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+3H2O+2H"	56.04448
"1514834"	385.10069	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+H"	61.06479
"412330"	355.012088	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Na+K"	61.952376
"774423"	517.030038	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Na+K"	61.952376
"1672941"	192.994138	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+K"	61.952376
"256181"	712.087568	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+ACN+Na"	64.015768
"1232170"	388.051668	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+Na"	64.015768
"1718868"	388.075193	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4+HCOOH"	64.039293
"1186412"	131.001184666667	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3Na"	68.967654
"1655211"	393.030588	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+HCOOH"	68.994688
"166445"	724.99084	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2K-H"	76.91904
"607102"	1049.02674	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2K-H"	76.91904
"1094896"	400.95494	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K-H"	76.91904
"152808"	362.999058	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2K"	77.926316
"592366"	525.017008	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2K"	77.926316
"1080159"	200.981108	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K"	77.926316
"1107900"	402.969492	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K+H"	78.933592
"1348659"	403.057107	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+DMSO+H"	79.021207
"1016092"	407.096276	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2ACN+H"	83.060376
"1533124"	408.089908	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+Na+H"	84.054008
"995203"	204.051776	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2ACN+2H"	84.067652
"1590801"	409.004528	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K+HCOOH"	84.968628
"1420837"	439.036038	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+CF3COOH"	115.000138
"1150031"	224.565051	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3ACN+2H"	125.094202
"1700677"	456.062585	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4+CF3COOH"	132.026685
"1635234"	461.01798	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+CF3COOH"	136.98208
"1582916"	476.99192	"C01368"	"3-UMP;Uridine 3-monophosphate;Uridine 3-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K+CF3COOH"	152.95602
"806722"	803.482	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M"	0
"974474"	784.46361	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-H2O-H"	-19.01839
"65218"	534.647390666667	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M-3H"	-3.021828
"504045"	802.474724	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M-3H"	-3.021828
"885863"	266.820057333333	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-3H"	-3.021828
"13192"	802.474724	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M-2H"	-2.014552
"453845"	1204.215724	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M-2H"	-2.014552
"826182"	400.733724	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-2H"	-2.014552
"89454"	1605.956724	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M-H"	-1.007276
"526827"	2409.438724	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M-H"	-1.007276
"899526"	802.474724	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-H"	-1.007276
"53538"	1622.983271	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M-2H+NH4"	16.019271
"490908"	2426.465271	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M-2H+NH4"	16.019271
"866522"	819.501271	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-2H+NH4"	16.019271
"36610"	1627.938666	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M-2H+Na"	20.974666
"472399"	2431.420666	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M-2H+Na"	20.974666
"852882"	824.456666	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-2H+Na"	20.974666
"1622414"	824.456666	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Na-2H"	20.974666
"101131"	820.463063	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M-H+Cl"	33.962126
"536315"	1222.204063	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M-H+Cl"	33.962126
"929829"	418.722063	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-H+Cl"	33.962126
"273855"	1641.933402	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+Cl"	34.969402
"661900"	2445.415402	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+Cl"	34.969402
"1275397"	838.451402	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Cl"	34.969402
"22330"	1643.912606	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M-2H+K"	36.948606
"462984"	2447.394606	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M-2H+K"	36.948606
"840788"	840.430606	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-2H+K"	36.948606
"1566464"	840.430606	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+K-2H"	36.948606
"951067"	848.480194	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-H+HCOOH"	44.998194
"371472"	1651.962201	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+HCOOH-H"	44.998201
"356447"	1665.977851	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+Hac-H"	59.013851
"1505278"	862.495851	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Hac-H"	59.013851
"965171"	870.462151	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-H+NaCOOH"	66.980151
"118449"	838.451402	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+2Cl"	69.938804
"558012"	1240.192402	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+2Cl"	69.938804
"1027910"	436.710402	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2Cl"	69.938804
"1245302"	882.400885	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Br"	78.918885
"1305928"	884.456872	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Cl+HCOOH"	80.974872
"1322330"	906.438829	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Cl+NaCOOH"	102.956829
"911643"	916.467586	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M-H+CF3COOH"	112.985586
"1294111"	952.444264	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Cl+CF3COOH"	148.962264
"1371181"	768.469324	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H-2H2O"	-35.012676
"1383938"	786.4793	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H-H2O"	-17.0027
"285085"	1607.971276	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+H"	1.007276
"678599"	2411.453276	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+H"	1.007276
"1353485"	804.489276	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H"	1.007276
"135486"	804.489276	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+2H"	2.014552
"569579"	1206.230276	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+2H"	2.014552
"1038501"	402.748276	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2H"	2.014552
"206035"	536.661942666667	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+3H"	3.021828
"648033"	804.489276	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+3H"	3.021828
"1163488"	268.834609333333	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+3H"	3.021828
"427249"	1624.997823	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+NH4"	18.033823
"787514"	2428.479823	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+NH4"	18.033823
"1682387"	821.515823	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+NH4"	18.033823
"332121"	813.0025495	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+H+NH4"	19.041099
"725272"	1214.7435495	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+H+NH4"	19.041099
"1479094"	411.2615495	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H+NH4"	19.041099
"393883"	1629.953218	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+Na"	22.989218
"754550"	2433.435218	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+Na"	22.989218
"1603094"	826.471218	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Na"	22.989218
"315929"	815.480247	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+H+Na"	23.996494
"708836"	1217.221247	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+H+Na"	23.996494
"1462535"	413.739247	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H+Na"	23.996494
"1056756"	276.161923333333	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2H+Na"	25.00377
"1263538"	836.515486	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+CH3OH+H"	33.033486
"378586"	1645.927158	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+K"	38.963158
"743472"	2449.409158	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+K"	38.963158
"1545160"	842.445158	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+K"	38.963158
"302336"	823.467217	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+H+K"	39.970434
"692209"	1225.208217	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+H+K"	39.970434
"1448579"	421.726217	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H+K"	39.970434
"240463"	1648.997826	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+ACN+H"	42.033826
"1214267"	845.515826	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+ACN+H"	42.033826
"1200340"	423.261551	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+ACN+2H"	43.041102
"193575"	1651.93516	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+2Na-H"	44.97116
"641161"	2455.41716	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+2Na-H"	44.97116
"1140656"	848.45316	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2Na-H"	44.97116
"178477"	826.471218	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+2Na"	45.978436
"616944"	1228.212218	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+2Na"	45.978436
"1124824"	424.730218	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2Na"	45.978436
"1405068"	283.489237333333	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H+2Na"	46.985712
"1437185"	850.494746	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H+HCOOH"	47.012746
"223602"	831.50424	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+3H2O+2H"	56.04448
"1513850"	864.54679	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+IsoProp+H"	61.06479
"411350"	834.458188	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+Na+K"	61.952376
"774533"	1236.199188	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+Na+K"	61.952376
"1669769"	432.717188	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Na+K"	61.952376
"258477"	1670.979768	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+ACN+Na"	64.015768
"1231186"	867.497768	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+ACN+Na"	64.015768
"1721164"	867.521293	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+NH4+HCOOH"	64.039293
"1182148"	290.816551333333	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+3Na"	68.967654
"1660789"	872.476688	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Na+HCOOH"	68.994688
"166555"	1683.88304	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+2K-H"	76.91904
"602833"	2487.36504	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+2K-H"	76.91904
"1091721"	880.40104	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2K-H"	76.91904
"151821"	842.445158	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"2M+2K"	77.926316
"586280"	1244.186158	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"3M+2K"	77.926316
"1074801"	440.704158	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2K"	77.926316
"1110196"	882.415592	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2K+H"	78.933592
"1336978"	882.503207	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+DMSO+H"	79.021207
"1006237"	886.542376	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2ACN+H"	83.060376
"1524684"	887.536008	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+IsoProp+Na+H"	84.054008
"996411"	443.774826	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+2ACN+2H"	84.067652
"1590912"	888.450628	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+K+HCOOH"	84.968628
"1422043"	918.482138	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+H+CF3COOH"	115.000138
"1152331"	464.288101	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+3ACN+2H"	125.094202
"1704071"	935.508685	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+NH4+CF3COOH"	132.026685
"1643002"	940.46408	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+Na+CF3COOH"	136.98208
"1574279"	956.43802	"C01375"	"Tacrolimus;FK506;FK 506"	"C44H69NO12"	"803.482"	"M+K+CF3COOH"	152.95602
"810113"	288.0634	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M"	0
"978179"	269.04501	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"63505"	191.034990666667	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"505250"	287.056124	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"882693"	95.0138573333333	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"6735"	287.056124	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"455617"	431.087824	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"831395"	143.024424	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"91751"	575.119524	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"525843"	863.182924	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"901459"	287.056124	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"50368"	592.146071	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"492110"	880.209471	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"868088"	304.082671	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"36719"	597.101466	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"476641"	885.164866	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"852257"	309.038066	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1622524"	309.038066	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"96137"	305.044463	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"538613"	449.076163	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"930304"	161.012763	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"276153"	611.096202	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"663103"	899.159602	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1275872"	323.032802	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"19158"	613.075406	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"464187"	901.138806	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"839804"	325.012006	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1562201"	325.012006	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"950084"	333.061594	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"373768"	621.125001	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"354370"	635.140651	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1506482"	347.077251	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"965282"	355.043551	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"119652"	323.032802	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"558121"	467.064502	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1025104"	179.001102	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1245046"	366.982285	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1307131"	369.038272	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1323169"	391.020229	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"914592"	401.048986	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1292396"	437.025664	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1372381"	253.050724	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1385503"	271.0607	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"289569"	577.134076	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"681989"	865.197476	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1353595"	289.070676	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"129400"	289.070676	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"569689"	433.102376	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1039216"	145.038976	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"206024"	193.049542666667	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"645589"	289.070676	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1165542"	97.0284093333333	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"428452"	594.160623	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"790540"	882.224023	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1682495"	306.097223	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"334053"	297.5839495	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"725378"	441.6156495	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1479199"	153.5522495	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"393869"	599.116018	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"756323"	887.179418	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1603568"	311.052618	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"315430"	300.061647	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"707606"	444.093347	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1462521"	156.029947	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1054068"	104.355723333333	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1259636"	321.096886	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"380033"	615.089958	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"738959"	903.153358	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1541990"	327.026558	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"300985"	308.048617	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"694141"	452.080317	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1449784"	164.016917	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"240573"	618.160626	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1215470"	330.097226	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1199357"	165.552251	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"194414"	621.09796	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"641271"	909.16136	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1140766"	333.03456	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"178588"	311.052618	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"618147"	455.084318	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1126027"	167.020918	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1407365"	111.683037333333	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1431827"	335.076146	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"230270"	316.08564	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1517240"	349.12819	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"414739"	319.039588	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"775737"	463.071288	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1669879"	175.007888	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"259681"	640.142568	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1235673"	352.079168	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1721277"	352.102693	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1180436"	119.010351333333	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1659805"	357.058088	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"164478"	653.04584	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"604037"	941.10924	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1092924"	364.98244	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"150838"	327.026558	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"591493"	471.058258	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1076004"	182.994858	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1109214"	366.996992	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1336846"	367.084607	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1006836"	371.123776	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1524713"	372.117408	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"993240"	186.065526	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1590293"	373.032028	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1422153"	403.063538	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1152441"	206.578801	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1708556"	420.090085	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1645300"	425.04548	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1573294"	441.01942	"C01378"	"Fustin;23-Dihydrofisetin"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"813503"	62.0368	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M"	0
"977196"	43.01841	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-H2O-H"	-19.01839
"63615"	40.3505906666667	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M-3H"	-3.021828
"507183"	61.029524	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M-3H"	-3.021828
"883896"	19.6716573333333	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-3H"	-3.021828
"4658"	61.029524	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M-2H"	-2.014552
"454062"	92.047924	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M-2H"	-2.014552
"830655"	30.011124	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-2H"	-2.014552
"91861"	123.066324	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M-H"	-1.007276
"527046"	185.103124	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M-H"	-1.007276
"902662"	61.029524	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-H"	-1.007276
"50478"	140.092871	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M-2H+NH4"	16.019271
"497687"	202.129671	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M-2H+NH4"	16.019271
"867833"	78.056071	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-2H+NH4"	16.019271
"40109"	145.048266	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M-2H+Na"	20.974666
"476387"	207.085066	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M-2H+Na"	20.974666
"852734"	83.011466	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-2H+Na"	20.974666
"1621538"	83.011466	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Na-2H"	20.974666
"96244"	79.017863	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M-H+Cl"	33.962126
"539087"	110.036263	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M-H+Cl"	33.962126
"932600"	47.999463	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-H+Cl"	33.962126
"276263"	159.043002	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+Cl"	34.969402
"664306"	221.079802	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+Cl"	34.969402
"1277802"	97.006202	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Cl"	34.969402
"19632"	161.022206	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M-2H+K"	36.948606
"465391"	223.059006	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M-2H+K"	36.948606
"841008"	98.985406	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-2H+K"	36.948606
"1562311"	98.985406	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+K-2H"	36.948606
"951288"	107.034994	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-H+HCOOH"	44.998194
"374971"	169.071801	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+HCOOH-H"	44.998201
"358854"	183.087451	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+Hac-H"	59.013851
"1508094"	121.050651	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Hac-H"	59.013851
"966483"	129.016951	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-H+NaCOOH"	66.980151
"117575"	97.006202	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+2Cl"	69.938804
"557137"	128.024602	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+2Cl"	69.938804
"1028131"	65.987802	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2Cl"	69.938804
"1245522"	140.955685	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Br"	78.918885
"1313439"	143.011672	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Cl+HCOOH"	80.974872
"1324372"	164.993629	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Cl+NaCOOH"	102.956829
"916161"	175.022386	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M-H+CF3COOH"	112.985586
"1292508"	210.999064	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Cl+CF3COOH"	148.962264
"1372492"	27.024124	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H-2H2O"	-35.012676
"1384159"	45.0341	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H-H2O"	-17.0027
"285670"	125.080876	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+H"	1.007276
"678820"	187.117676	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+H"	1.007276
"1356258"	63.044076	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H"	1.007276
"131334"	63.044076	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+2H"	2.014552
"569801"	94.062476	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+2H"	2.014552
"1038966"	32.025676	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2H"	2.014552
"205409"	42.3651426666667	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+3H"	3.021828
"646067"	63.044076	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+3H"	3.021828
"1165288"	21.6862093333333	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+3H"	3.021828
"426740"	142.107423	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+NH4"	18.033823
"789557"	204.144223	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+NH4"	18.033823
"1682970"	80.070623	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+NH4"	18.033823
"332341"	71.5573495	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+H+NH4"	19.041099
"726585"	102.5757495	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+H+NH4"	19.041099
"1480405"	40.5389495	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H+NH4"	19.041099
"394342"	147.062818	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+Na"	22.989218
"757893"	209.099618	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+Na"	22.989218
"1604896"	85.026018	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Na"	22.989218
"315296"	74.035047	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+H+Na"	23.996494
"707961"	105.053447	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+H+Na"	23.996494
"1461812"	43.016647	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H+Na"	23.996494
"1054299"	29.0135233333333	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2H+Na"	25.00377
"1259016"	95.070286	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+CH3OH+H"	33.033486
"382330"	163.036758	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+K"	38.963158
"739193"	225.073558	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+K"	38.963158
"1540396"	100.999958	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+K"	38.963158
"301825"	82.022017	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+H+K"	39.970434
"692184"	113.040417	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+H+K"	39.970434
"1448801"	51.003617	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H+K"	39.970434
"239954"	166.107426	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+ACN+H"	42.033826
"1214850"	104.070626	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+ACN+H"	42.033826
"1200560"	52.538951	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+ACN+2H"	43.041102
"194525"	169.04476	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+2Na-H"	44.97116
"640653"	231.08156	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+2Na-H"	44.97116
"1144156"	107.00796	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2Na-H"	44.97116
"180885"	85.026018	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+2Na"	45.978436
"618257"	116.044418	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+2Na"	45.978436
"1123950"	54.007618	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2Na"	45.978436
"1407475"	36.3408373333333	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H+2Na"	46.985712
"1433031"	109.049546	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H+HCOOH"	47.012746
"231474"	90.05904	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+3H2O+2H"	56.04448
"1519537"	123.10159	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+IsoProp+H"	61.06479
"414849"	93.012988	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+Na+K"	61.952376
"781316"	124.031388	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+Na+K"	61.952376
"1676549"	61.994588	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Na+K"	61.952376
"259791"	188.089368	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+ACN+Na"	64.015768
"1237969"	126.052568	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+ACN+Na"	64.015768
"1722481"	126.076093	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+NH4+HCOOH"	64.039293
"1185649"	43.6681513333333	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+3Na"	68.967654
"1662103"	131.031488	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Na+HCOOH"	68.994688
"170057"	200.99264	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+2K-H"	76.91904
"609616"	263.02944	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+2K-H"	76.91904
"1099316"	138.95584	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2K-H"	76.91904
"155322"	100.999958	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"2M+2K"	77.926316
"594883"	132.018358	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"3M+2K"	77.926316
"1078302"	69.981558	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2K"	77.926316
"1112604"	140.970392	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2K+H"	78.933592
"1341330"	141.058007	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+DMSO+H"	79.021207
"1008280"	145.097176	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2ACN+H"	83.060376
"1525676"	146.090808	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+IsoProp+Na+H"	84.054008
"994442"	73.052226	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+2ACN+2H"	84.067652
"1591131"	147.005428	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+K+HCOOH"	84.968628
"1421170"	177.036938	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+H+CF3COOH"	115.000138
"1149271"	93.565501	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+3ACN+2H"	125.094202
"1708666"	194.063485	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+NH4+CF3COOH"	132.026685
"1647597"	199.01888	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+Na+CF3COOH"	136.98208
"1574498"	214.99282	"C01380"	"Ethylene glycol;12-Ethanediol;Ethane-12-diol"	"C2H6O2"	"62.0368"	"M+K+CF3COOH"	152.95602
"811427"	253.8089	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M"	0
"980586"	234.79051	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-H2O-H"	-19.01839
"63967"	168.198657333333	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M-3H"	-3.021828
"506200"	252.801624	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M-3H"	-3.021828
"884006"	83.5956906666667	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-3H"	-3.021828
"3675"	252.801624	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M-2H"	-2.014552
"446517"	379.706074	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M-2H"	-2.014552
"829792"	125.897174	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-2H"	-2.014552
"89782"	506.610524	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M-H"	-1.007276
"531532"	760.419424	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M-H"	-1.007276
"904959"	252.801624	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-H"	-1.007276
"52774"	523.637071	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M-2H+NH4"	16.019271
"489414"	777.445971	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M-2H+NH4"	16.019271
"866488"	269.828171	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-2H+NH4"	16.019271
"35481"	528.592466	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M-2H+Na"	20.974666
"475406"	782.401366	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M-2H+Na"	20.974666
"851748"	274.783566	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-2H+Na"	20.974666
"1620555"	274.783566	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Na-2H"	20.974666
"95263"	270.789963	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M-H+Cl"	33.962126
"538103"	397.694413	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M-H+Cl"	33.962126
"928336"	143.885513	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-H+Cl"	33.962126
"275279"	542.587202	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+Cl"	34.969402
"666604"	796.396102	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+Cl"	34.969402
"1277915"	288.778302	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Cl"	34.969402
"18285"	544.566406	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M-2H+K"	36.948606
"457844"	798.375306	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M-2H+K"	36.948606
"843304"	290.757506	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-2H+K"	36.948606
"1564605"	290.757506	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+K-2H"	36.948606
"954313"	298.807094	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-H+HCOOH"	44.998194
"375078"	552.616001	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+HCOOH-H"	44.998201
"358961"	566.631651	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+Hac-H"	59.013851
"1504514"	312.822751	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Hac-H"	59.013851
"964407"	320.789051	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-H+NaCOOH"	66.980151
"113674"	288.778302	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+2Cl"	69.938804
"554695"	415.682752	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+2Cl"	69.938804
"1031521"	161.873852	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2Cl"	69.938804
"1248184"	332.727785	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Br"	78.918885
"1314643"	334.783772	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Cl+HCOOH"	80.974872
"1323753"	356.765729	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Cl+NaCOOH"	102.956829
"915177"	366.794486	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M-H+CF3COOH"	112.985586
"1292983"	402.771164	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Cl+CF3COOH"	148.962264
"1371508"	218.796224	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H-2H2O"	-35.012676
"1384268"	236.8062	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H-H2O"	-17.0027
"285169"	508.625076	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+H"	1.007276
"679293"	762.433976	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+H"	1.007276
"1357463"	254.816176	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H"	1.007276
"129986"	254.816176	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+2H"	2.014552
"568087"	381.720626	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+2H"	2.014552
"1039559"	127.911726	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2H"	2.014552
"205634"	170.213209333333	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+3H"	3.021828
"645930"	254.816176	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+3H"	3.021828
"1165036"	85.6102426666667	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+3H"	3.021828
"425875"	525.651623	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+NH4"	18.033823
"789666"	779.460523	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+NH4"	18.033823
"1683444"	271.842723	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+NH4"	18.033823
"331116"	263.3294495	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+H+NH4"	19.041099
"726696"	390.2338995	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+H+NH4"	19.041099
"1479786"	136.4249995	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H+NH4"	19.041099
"394332"	530.607018	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+Na"	22.989218
"755451"	784.415918	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+Na"	22.989218
"1603058"	276.798118	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Na"	22.989218
"314674"	265.807147	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+H+Na"	23.996494
"707333"	392.711597	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+H+Na"	23.996494
"1461596"	138.902697	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H+Na"	23.996494
"1052942"	92.9375566666667	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2H+Na"	25.00377
"1257175"	286.842386	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+CH3OH+H"	33.033486
"377184"	546.580958	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+K"	38.963158
"739058"	800.389858	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+K"	38.963158
"1542210"	292.772058	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+K"	38.963158
"301207"	273.794117	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+H+K"	39.970434
"696550"	400.698567	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+H+K"	39.970434
"1451098"	146.889667	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H+K"	39.970434
"241891"	549.651626	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+ACN+H"	42.033826
"1216786"	295.842726	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+ACN+H"	42.033826
"1199579"	148.425001	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+ACN+2H"	43.041102
"194637"	552.58896	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+2Na-H"	44.97116
"635296"	806.39786	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+2Na-H"	44.97116
"1139895"	298.78006	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2Na-H"	44.97116
"179903"	276.798118	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+2Na"	45.978436
"620557"	403.702568	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+2Na"	45.978436
"1117502"	149.893668	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2Na"	45.978436
"1407586"	100.264870666667	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H+2Na"	46.985712
"1439703"	300.821646	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H+HCOOH"	47.012746
"232681"	281.83114	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+3H2O+2H"	56.04448
"1515276"	314.87369	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+IsoProp+H"	61.06479
"413871"	284.785088	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+Na+K"	61.952376
"772677"	411.689538	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+Na+K"	61.952376
"1676665"	157.880638	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Na+K"	61.952376
"260998"	571.633568	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+ACN+Na"	64.015768
"1235892"	317.824668	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+ACN+Na"	64.015768
"1724780"	317.848193	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+NH4+HCOOH"	64.039293
"1189043"	107.592184666667	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+3Na"	68.967654
"1664403"	322.803588	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Na+HCOOH"	68.994688
"169074"	584.53684	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+2K-H"	76.91904
"607541"	838.34574	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+2K-H"	76.91904
"1092053"	330.72794	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2K-H"	76.91904
"152152"	292.772058	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"2M+2K"	77.926316
"588432"	419.676508	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"3M+2K"	77.926316
"1076222"	165.867608	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2K"	77.926316
"1112349"	332.742492	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2K+H"	78.933592
"1337064"	332.830107	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+DMSO+H"	79.021207
"1006445"	336.869276	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2ACN+H"	83.060376
"1529194"	337.862908	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+IsoProp+Na+H"	84.054008
"992360"	168.938276	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+2ACN+2H"	84.067652
"1590512"	338.777528	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+K+HCOOH"	84.968628
"1421280"	368.809038	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+H+CF3COOH"	115.000138
"1149381"	189.451551	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+3ACN+2H"	125.094202
"1698933"	385.835585	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+NH4+CF3COOH"	132.026685
"1642239"	390.79098	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+Na+CF3COOH"	136.98208
"1574608"	406.76492	"C01382"	"Iodine;I2;Diiodine"	"I2"	"253.8089"	"M+K+CF3COOH"	152.95602
"803883"	116.011	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M"	0
"977417"	96.99261	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H2O-H"	-19.01839
"71127"	76.3333906666667	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-3H"	-3.021828
"503274"	115.003724	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-3H"	-3.021828
"888494"	37.6630573333333	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-3H"	-3.021828
"1841"	115.003724	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H"	-2.014552
"440225"	173.009224	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H"	-2.014552
"830267"	56.998224	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H"	-2.014552
"89892"	231.014724	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-H"	-1.007276
"526175"	347.025724	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-H"	-1.007276
"907256"	115.003724	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H"	-1.007276
"48143"	248.041271	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H+NH4"	16.019271
"488063"	364.052271	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H+NH4"	16.019271
"865135"	132.030271	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H+NH4"	16.019271
"33037"	252.996666	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H+Na"	20.974666
"472271"	369.007666	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H+Na"	20.974666
"850036"	136.985666	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H+Na"	20.974666
"1619568"	136.985666	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na-2H"	20.974666
"94719"	132.992063	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-H+Cl"	33.962126
"534569"	190.997563	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-H+Cl"	33.962126
"929178"	74.986563	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+Cl"	33.962126
"268464"	266.991402	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Cl"	34.969402
"660190"	383.002402	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+Cl"	34.969402
"1274018"	150.980402	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl"	34.969402
"15841"	268.970606	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M-2H+K"	36.948606
"468532"	384.981606	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M-2H+K"	36.948606
"842324"	152.959606	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-2H+K"	36.948606
"1561437"	152.959606	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K-2H"	36.948606
"952603"	161.009194	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+HCOOH"	44.998194
"368631"	277.020201	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+HCOOH-H"	44.998201
"352514"	291.035851	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Hac-H"	59.013851
"1498433"	175.024851	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Hac-H"	59.013851
"960866"	182.991151	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+NaCOOH"	66.980151
"116705"	150.980402	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2Cl"	69.938804
"556263"	208.985902	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2Cl"	69.938804
"1025068"	92.974902	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2Cl"	69.938804
"1247565"	194.929885	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Br"	78.918885
"1312568"	196.985872	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl+HCOOH"	80.974872
"1330066"	218.967829	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl+NaCOOH"	102.956829
"917843"	228.996586	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M-H+CF3COOH"	112.985586
"1295646"	264.973264	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Cl+CF3COOH"	148.962264
"1371255"	80.998324	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H-2H2O"	-35.012676
"1386565"	99.0083	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H-H2O"	-17.0027
"285889"	233.029276	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H"	1.007276
"678672"	349.040276	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H"	1.007276
"1352469"	117.018276	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H"	1.007276
"127181"	117.018276	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2H"	2.014552
"567836"	175.023776	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2H"	2.014552
"1038092"	59.012776	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2H"	2.014552
"207822"	78.3479426666667	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+3H"	3.021828
"650661"	117.018276	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+3H"	3.021828
"1167698"	39.6776093333333	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+3H"	3.021828
"427689"	250.055823	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+NH4"	18.033823
"786012"	366.066823	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+NH4"	18.033823
"1685013"	134.044823	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+NH4"	18.033823
"330861"	125.5315495	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H+NH4"	19.041099
"726441"	183.5370495	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H+NH4"	19.041099
"1481355"	67.5260495	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+NH4"	19.041099
"397118"	255.011218	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Na"	22.989218
"754432"	371.022218	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+Na"	22.989218
"1603174"	139.000218	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na"	22.989218
"317343"	128.009247	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H+Na"	23.996494
"709035"	186.014747	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H+Na"	23.996494
"1462855"	70.003747	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+Na"	23.996494
"1054278"	47.0049233333333	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2H+Na"	25.00377
"1259238"	149.044486	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+CH3OH+H"	33.033486
"379271"	270.985158	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+K"	38.963158
"743547"	386.996158	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+K"	38.963158
"1545601"	154.974158	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K"	38.963158
"301318"	135.996217	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+H+K"	39.970434
"697390"	194.001717	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+H+K"	39.970434
"1449026"	77.990717	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+K"	39.970434
"242001"	274.055826	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+ACN+H"	42.033826
"1223102"	158.044826	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+ACN+H"	42.033826
"1208443"	79.526051	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+ACN+2H"	43.041102
"200220"	276.99316	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2Na-H"	44.97116
"640872"	393.00416	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2Na-H"	44.97116
"1143286"	160.98216	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2Na-H"	44.97116
"185117"	139.000218	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2Na"	45.978436
"622855"	197.005718	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2Na"	45.978436
"1124173"	80.994718	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2Na"	45.978436
"1410979"	54.3322373333333	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+2Na"	46.985712
"1439818"	163.023746	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+HCOOH"	47.012746
"228420"	144.03324	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+3H2O+2H"	56.04448
"1512107"	177.07579	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+IsoProp+H"	61.06479
"417262"	146.987188	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+Na+K"	61.952376
"782632"	204.992688	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+Na+K"	61.952376
"1673495"	88.981688	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na+K"	61.952376
"261110"	296.037768	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+ACN+Na"	64.015768
"1232725"	180.026768	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+ACN+Na"	64.015768
"1716141"	180.050293	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+NH4+HCOOH"	64.039293
"1184048"	61.6595513333333	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+3Na"	68.967654
"1655765"	185.005688	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na+HCOOH"	68.994688
"166999"	308.94104	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2K-H"	76.91904
"609838"	424.95204	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2K-H"	76.91904
"1095443"	192.93004	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2K-H"	76.91904
"155420"	154.974158	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"2M+2K"	77.926316
"594860"	212.979658	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"3M+2K"	77.926316
"1071957"	96.968658	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2K"	77.926316
"1102977"	194.944592	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2K+H"	78.933592
"1339362"	195.032207	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+DMSO+H"	79.021207
"1008258"	199.071376	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2ACN+H"	83.060376
"1529304"	200.065008	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+IsoProp+Na+H"	84.054008
"992477"	100.039326	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+2ACN+2H"	84.067652
"1591352"	200.979628	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K+HCOOH"	84.968628
"1420297"	231.011138	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+H+CF3COOH"	115.000138
"1148395"	120.552601	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+3ACN+2H"	125.094202
"1699042"	248.037685	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+NH4+CF3COOH"	132.026685
"1636881"	252.99308	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+Na+CF3COOH"	136.98208
"1574718"	268.96702	"C01384"	"Maleic acid;Maleate;cis-Butenedioic acid"	"C4H4O4"	"116.011"	"M+K+CF3COOH"	152.95602
"803993"	175.0633	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M"	0
"977525"	156.04491	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"70144"	115.701590666667	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"503383"	174.056024	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"888603"	57.3471573333333	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"2437"	174.056024	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"440088"	261.587674	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"830013"	86.524374	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"88909"	349.119324	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"531630"	524.182624	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"905178"	174.056024	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"50436"	366.145871	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"488903"	541.209171	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"866704"	191.082571	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"32053"	371.101266	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"472342"	546.164566	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"849780"	196.037966	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1619434"	196.037966	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"95116"	192.044363	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"535772"	279.576013	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"929286"	104.512713	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"268695"	385.096002	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"660421"	560.159302	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1274249"	210.032702	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"15867"	387.075206	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"465726"	562.138506	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"839155"	212.011906	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1558996"	212.011906	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"949433"	220.061494	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"362178"	395.124801	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"348248"	409.140451	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1498543"	234.077151	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"959518"	242.043451	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"116086"	210.032702	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"554187"	297.564352	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1027002"	122.501052	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1247675"	253.982185	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1315959"	256.038172	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1331269"	278.020129	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"921234"	288.048886	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1297945"	324.025564	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1370637"	140.050624	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1387406"	158.0606	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"285270"	351.133876	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"680243"	526.197176	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1352215"	176.070576	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"129479"	176.070576	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"569041"	263.602226	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1037231"	88.538926	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"209025"	117.716142666667	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"650771"	176.070576	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1166715"	59.3617093333333	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"428892"	368.160423	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"786608"	543.223723	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1685123"	193.097123	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"332309"	184.5838495	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"729103"	272.1154995	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1482924"	97.0521995	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"396135"	373.115818	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"755307"	548.179118	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1603445"	198.052518	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"316360"	187.061547	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"708781"	274.593197	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1464788"	99.529897	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1054753"	66.6890233333333	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1260076"	208.096786	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"381569"	389.089758	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"744751"	564.153058	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1544618"	214.026458	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"303614"	195.048517	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"696405"	282.580167	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1449136"	107.516867	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"242111"	392.160426	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1221389"	217.097126	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1207459"	109.052201	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"199970"	395.09776	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"639889"	570.16106	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1141210"	220.03446	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"175750"	198.052518	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"621872"	285.584168	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1118815"	110.520868	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1408902"	74.0163373333333	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1436643"	222.076046	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"229622"	203.08554	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1515498"	236.12809	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"411175"	206.039488	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"781649"	293.571138	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1673605"	118.507838	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"260127"	414.142368	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1233928"	239.079068	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1717346"	239.102593	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1187076"	81.3436513333333	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1656239"	244.057988	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"164921"	427.04564	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"611040"	602.10894	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1095553"	251.98234	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"154436"	214.026458	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"594970"	301.558108	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1072067"	126.494808	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1108557"	253.996892	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1336923"	254.084507	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1005810"	258.123676	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1528320"	259.117308	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"994768"	129.565476	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1589640"	260.031928	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1418220"	290.063438	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1148869"	150.078751	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1699152"	307.089985	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1636991"	312.04538	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1574828"	328.01932	"C01386"	"NH2Mec;7-Amino-4-methylcoumarin"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"810664"	114.1409	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M"	0
"984197"	95.12251	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-H2O-H"	-19.01839
"70254"	75.0866573333333	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M-3H"	-3.021828
"505072"	113.133624	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M-3H"	-3.021828
"886526"	37.0396906666667	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-3H"	-3.021828
"1940"	113.133624	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M-2H"	-2.014552
"441735"	170.204074	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M-2H"	-2.014552
"829758"	56.063174	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-2H"	-2.014552
"90112"	227.274524	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M-H"	-1.007276
"531742"	341.415424	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M-H"	-1.007276
"907475"	113.133624	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-H"	-1.007276
"50915"	244.301071	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M-2H+NH4"	16.019271
"490108"	358.441971	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M-2H+NH4"	16.019271
"867546"	130.160171	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-2H+NH4"	16.019271
"34355"	249.256466	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M-2H+Na"	20.974666
"474639"	363.397366	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M-2H+Na"	20.974666
"850381"	135.115566	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-2H+Na"	20.974666
"1619795"	135.115566	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Na-2H"	20.974666
"97416"	131.121963	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M-H+Cl"	33.962126
"535394"	188.192413	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M-H+Cl"	33.962126
"931586"	74.051513	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-H+Cl"	33.962126
"274518"	263.251202	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+Cl"	34.969402
"660618"	377.392102	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+Cl"	34.969402
"1278249"	149.110302	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Cl"	34.969402
"25180"	265.230406	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M-2H+K"	36.948606
"464744"	379.371306	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M-2H+K"	36.948606
"841452"	151.089506	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-2H+K"	36.948606
"1567127"	151.089506	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+K-2H"	36.948606
"953919"	159.139094	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-H+HCOOH"	44.998194
"372864"	273.280001	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+HCOOH-H"	44.998201
"358202"	287.295651	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+Hac-H"	59.013851
"1504849"	173.154751	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Hac-H"	59.013851
"964734"	181.121051	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-H+NaCOOH"	66.980151
"116195"	149.110302	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+2Cl"	69.938804
"556484"	206.180752	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+2Cl"	69.938804
"1024924"	92.039852	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2Cl"	69.938804
"1244502"	193.059785	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Br"	78.918885
"1306709"	195.115772	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Cl+HCOOH"	80.974872
"1323723"	217.097729	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Cl+NaCOOH"	102.956829
"915147"	227.126486	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M-H+CF3COOH"	112.985586
"1291855"	263.103164	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Cl+CF3COOH"	148.962264
"1371841"	79.128224	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H-2H2O"	-35.012676
"1385329"	97.1382	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H-H2O"	-17.0027
"285381"	229.289076	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+H"	1.007276
"677068"	343.429976	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+H"	1.007276
"1352444"	115.148176	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H"	1.007276
"126549"	115.148176	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+2H"	2.014552
"567692"	172.218626	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+2H"	2.014552
"1037541"	58.077726	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2H"	2.014552
"211321"	77.1012093333333	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+3H"	3.021828
"650881"	115.148176	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+3H"	3.021828
"1166825"	39.0542426666667	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+3H"	3.021828
"427909"	246.315623	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+NH4"	18.033823
"788175"	360.456523	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+NH4"	18.033823
"1684142"	132.174723	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+NH4"	18.033823
"332424"	123.6614495	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+H+NH4"	19.041099
"724841"	180.7318995	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+H+NH4"	19.041099
"1477932"	66.5909995	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H+NH4"	19.041099
"397340"	251.271018	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+Na"	22.989218
"759430"	365.411918	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+Na"	22.989218
"1609716"	137.130118	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Na"	22.989218
"315862"	126.139147	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+H+Na"	23.996494
"711446"	183.209597	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+H+Na"	23.996494
"1465995"	69.068697	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H+Na"	23.996494
"1055960"	46.3815566666667	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2H+Na"	25.00377
"1263105"	147.174386	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+CH3OH+H"	33.033486
"382773"	267.244958	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+K"	38.963158
"743768"	381.385858	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+K"	38.963158
"1544728"	153.104058	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+K"	38.963158
"303723"	134.126117	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+H+K"	39.970434
"695059"	191.196567	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+H+K"	39.970434
"1450342"	77.055667	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H+K"	39.970434
"240037"	270.315626	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+ACN+H"	42.033826
"1213842"	156.174726	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+ACN+H"	42.033826
"1204286"	78.591001	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+ACN+2H"	43.041102
"200438"	273.25296	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+2Na-H"	44.97116
"635629"	387.39386	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+2Na-H"	44.97116
"1141321"	159.11206	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2Na-H"	44.97116
"176954"	137.130118	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+2Na"	45.978436
"618703"	194.200568	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+2Na"	45.978436
"1123301"	80.059668	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2Na"	45.978436
"1409012"	53.7088706666667	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H+2Na"	46.985712
"1440034"	161.153646	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H+HCOOH"	47.012746
"228639"	142.16314	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+3H2O+2H"	56.04448
"1513421"	175.20569	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+IsoProp+H"	61.06479
"417482"	145.117088	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+Na+K"	61.952376
"778115"	202.187538	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+Na+K"	61.952376
"1669709"	88.046638	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Na+K"	61.952376
"254771"	292.297568	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+ACN+Na"	64.015768
"1229664"	178.156668	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+ACN+Na"	64.015768
"1717092"	178.180193	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+NH4+HCOOH"	64.039293
"1181717"	61.0361846666667	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+3Na"	68.967654
"1654161"	183.135588	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Na+HCOOH"	68.994688
"167216"	305.20084	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+2K-H"	76.91904
"605685"	419.34174	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+2K-H"	76.91904
"1096758"	191.05994	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2K-H"	76.91904
"153575"	153.104058	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"2M+2K"	77.926316
"593986"	210.174508	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"3M+2K"	77.926316
"1070231"	96.033608	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2K"	77.926316
"1101619"	193.074492	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2K+H"	78.933592
"1338126"	193.162107	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+DMSO+H"	79.021207
"1008478"	197.201276	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2ACN+H"	83.060376
"1530621"	198.194908	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+IsoProp+Na+H"	84.054008
"999257"	99.104276	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+2ACN+2H"	84.067652
"1589389"	199.109528	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+K+HCOOH"	84.968628
"1421611"	229.141038	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+H+CF3COOH"	115.000138
"1155178"	119.617551	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+3ACN+2H"	125.094202
"1701449"	246.167585	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+NH4+CF3COOH"	132.026685
"1642569"	251.12298	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+Na+CF3COOH"	136.98208
"1572751"	267.09692	"C01387"	"Octane;n-Octane"	"C8H18"	"114.1409"	"M+K+CF3COOH"	152.95602
"807494"	296.3079	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M"	0
"984307"	277.28951	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-H2O-H"	-19.01839
"71458"	196.531324	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M-3H"	-3.021828
"513204"	295.300624	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M-3H"	-3.021828
"881166"	97.762024	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-3H"	-3.021828
"3022"	295.300624	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M-2H"	-2.014552
"451332"	443.454574	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M-2H"	-2.014552
"831327"	147.146674	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-2H"	-2.014552
"93630"	591.608524	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M-H"	-1.007276
"533070"	887.916424	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M-H"	-1.007276
"908680"	295.300624	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-H"	-1.007276
"60866"	608.635071	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M-2H+NH4"	16.019271
"494960"	904.942971	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M-2H+NH4"	16.019271
"867294"	312.327171	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-2H+NH4"	16.019271
"37382"	613.590466	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M-2H+Na"	20.974666
"474755"	909.898366	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M-2H+Na"	20.974666
"859119"	317.282566	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-2H+Na"	20.974666
"1631933"	317.282566	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Na-2H"	20.974666
"102995"	313.288963	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M-H+Cl"	33.962126
"540368"	461.442913	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M-H+Cl"	33.962126
"940445"	165.135013	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-H+Cl"	33.962126
"274628"	627.585202	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+Cl"	34.969402
"662675"	923.893102	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+Cl"	34.969402
"1283828"	331.277302	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Cl"	34.969402
"27478"	629.564406	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M-2H+K"	36.948606
"468866"	925.872306	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M-2H+K"	36.948606
"841562"	333.256506	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-2H+K"	36.948606
"1567237"	333.256506	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+K-2H"	36.948606
"956216"	341.306094	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-H+HCOOH"	44.998194
"375525"	637.614001	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+HCOOH-H"	44.998201
"359409"	651.629651	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+Hac-H"	59.013851
"1503866"	355.321751	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Hac-H"	59.013851
"963752"	363.288051	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-H+NaCOOH"	66.980151
"120317"	331.277302	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+2Cl"	69.938804
"559876"	479.431252	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+2Cl"	69.938804
"1025399"	183.123352	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2Cl"	69.938804
"1246073"	375.226785	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Br"	78.918885
"1305969"	377.282772	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Cl+HCOOH"	80.974872
"1323832"	399.264729	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Cl+NaCOOH"	102.956829
"914163"	409.293486	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M-H+CF3COOH"	112.985586
"1291601"	445.270164	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Cl+CF3COOH"	148.962264
"1371220"	261.295224	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H-2H2O"	-35.012676
"1385802"	279.3052	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H-H2O"	-17.0027
"286220"	593.623076	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+H"	1.007276
"678277"	889.930976	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+H"	1.007276
"1352069"	297.315176	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H"	1.007276
"131888"	297.315176	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+2H"	2.014552
"572543"	445.469126	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+2H"	2.014552
"1045717"	149.161226	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2H"	2.014552
"211433"	198.545876	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+3H"	3.021828
"652084"	297.315176	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+3H"	3.021828
"1169122"	99.776576	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+3H"	3.021828
"429111"	610.649623	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+NH4"	18.033823
"788285"	906.957523	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+NH4"	18.033823
"1685344"	314.341723	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+NH4"	18.033823
"333989"	305.8284495	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+H+NH4"	19.041099
"727138"	453.9823995	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+H+NH4"	19.041099
"1484242"	157.6744995	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H+NH4"	19.041099
"399639"	615.605018	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+Na"	22.989218
"760634"	911.912918	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+Na"	22.989218
"1608734"	319.297118	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Na"	22.989218
"320959"	308.306147	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+H+Na"	23.996494
"711192"	456.460097	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+H+Na"	23.996494
"1469385"	160.152197	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H+Na"	23.996494
"1058258"	107.10389	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2H+Na"	25.00377
"1262123"	329.341386	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+CH3OH+H"	33.033486
"381790"	631.578958	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+K"	38.963158
"741322"	927.886858	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+K"	38.963158
"1544108"	335.271058	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+K"	38.963158
"303470"	316.293117	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+H+K"	39.970434
"694074"	464.447067	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+H+K"	39.970434
"1457014"	168.139167	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H+K"	39.970434
"242335"	634.649626	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+ACN+H"	42.033826
"1220513"	338.341726	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+ACN+H"	42.033826
"1208770"	169.674501	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+ACN+2H"	43.041102
"200550"	637.58696	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+2Na-H"	44.97116
"640840"	933.89486	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+2Na-H"	44.97116
"1141428"	341.27906	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2Na-H"	44.97116
"177064"	319.297118	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+2Na"	45.978436
"617719"	467.451068	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+2Na"	45.978436
"1122317"	171.143168	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2Na"	45.978436
"1408029"	114.431204	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H+2Na"	46.985712
"1431762"	343.320646	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H+HCOOH"	47.012746
"226561"	324.33014	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+3H2O+2H"	56.04448
"1509885"	357.37269	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+IsoProp+H"	61.06479
"409572"	327.284088	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+Na+K"	61.952376
"777132"	475.438038	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+Na+K"	61.952376
"1670549"	179.130138	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Na+K"	61.952376
"257068"	656.631568	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+ACN+Na"	64.015768
"1227223"	360.323668	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+ACN+Na"	64.015768
"1713921"	360.347193	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+NH4+HCOOH"	64.039293
"1179639"	121.758518	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+3Na"	68.967654
"1651353"	365.302588	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Na+HCOOH"	68.994688
"162957"	669.53484	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+2K-H"	76.91904
"603972"	965.84274	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+2K-H"	76.91904
"1093586"	373.22694	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2K-H"	76.91904
"149310"	335.271058	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"2M+2K"	77.926316
"592150"	483.425008	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"3M+2K"	77.926316
"1070339"	187.117108	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2K"	77.926316
"1103311"	375.241492	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2K+H"	78.933592
"1337145"	375.329107	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+DMSO+H"	79.021207
"1006885"	379.368276	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2ACN+H"	83.060376
"1528545"	380.361908	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+IsoProp+Na+H"	84.054008
"997180"	190.187776	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+2ACN+2H"	84.067652
"1593873"	381.276528	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+K+HCOOH"	84.968628
"1421721"	411.308038	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+H+CF3COOH"	115.000138
"1155289"	210.701051	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+3ACN+2H"	125.094202
"1708120"	428.334585	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+NH4+CF3COOH"	132.026685
"1634775"	433.28998	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+Na+CF3COOH"	136.98208
"1571890"	449.26392	"C01389"	"Phytol"	"C20H40O"	"296.3079"	"M+K+CF3COOH"	152.95602
"807604"	86.0732	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M"	0
"984417"	67.05481	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-H2O-H"	-19.01839
"70475"	56.3748573333333	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M-3H"	-3.021828
"512221"	85.065924	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M-3H"	-3.021828
"880304"	27.6837906666667	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-3H"	-3.021828
"3132"	85.065924	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M-2H"	-2.014552
"451442"	128.102524	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M-2H"	-2.014552
"830338"	42.029324	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-2H"	-2.014552
"92158"	171.139124	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M-H"	-1.007276
"531718"	257.212324	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M-H"	-1.007276
"905509"	85.065924	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-H"	-1.007276
"59884"	188.165671	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M-2H+NH4"	16.019271
"495070"	274.238871	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M-2H+NH4"	16.019271
"869591"	102.092471	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-2H+NH4"	16.019271
"35305"	193.121066	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M-2H+Na"	20.974666
"473405"	279.194266	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M-2H+Na"	20.974666
"859229"	107.047866	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-2H+Na"	20.974666
"1630950"	107.047866	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Na-2H"	20.974666
"102012"	103.054263	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M-H+Cl"	33.962126
"540478"	146.090863	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M-H+Cl"	33.962126
"940191"	60.017663	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-H+Cl"	33.962126
"274738"	207.115802	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+Cl"	34.969402
"662785"	293.189002	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+Cl"	34.969402
"1283938"	121.042602	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Cl"	34.969402
"27588"	209.095006	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M-2H+K"	36.948606
"470067"	295.168206	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M-2H+K"	36.948606
"840579"	123.021806	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-2H+K"	36.948606
"1566254"	123.021806	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+K-2H"	36.948606
"956326"	131.071394	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-H+HCOOH"	44.998194
"375999"	217.144601	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+HCOOH-H"	44.998201
"359520"	231.160251	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+Hac-H"	59.013851
"1505069"	145.087051	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Hac-H"	59.013851
"963862"	153.053351	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-H+NaCOOH"	66.980151
"122613"	121.042602	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+2Cl"	69.938804
"558894"	164.079202	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+2Cl"	69.938804
"1024050"	78.006002	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2Cl"	69.938804
"1244358"	164.992085	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Br"	78.918885
"1307901"	167.048072	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Cl+HCOOH"	80.974872
"1323578"	189.030029	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Cl+NaCOOH"	102.956829
"915369"	199.058786	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M-H+CF3COOH"	112.985586
"1296087"	235.035464	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Cl+CF3COOH"	148.962264
"1369874"	51.060524	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H-2H2O"	-35.012676
"1388465"	69.0705	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H-H2O"	-17.0027
"284874"	173.153676	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+H"	1.007276
"677293"	259.226876	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+H"	1.007276
"1354005"	87.080476	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H"	1.007276
"134186"	87.080476	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+2H"	2.014552
"574840"	130.117076	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+2H"	2.014552
"1049108"	44.043876	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2H"	2.014552
"216645"	58.3894093333333	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+3H"	3.021828
"651102"	87.080476	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+3H"	3.021828
"1170326"	29.6983426666667	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+3H"	3.021828
"430318"	190.180223	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+NH4"	18.033823
"791312"	276.253423	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+NH4"	18.033823
"1687646"	104.107023	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+NH4"	18.033823
"333738"	95.5937495	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+H+NH4"	19.041099
"728343"	138.6303495	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+H+NH4"	19.041099
"1483259"	52.5571495	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H+NH4"	19.041099
"398658"	195.135618	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+Na"	22.989218
"760746"	281.208818	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+Na"	22.989218
"1614313"	109.062418	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Na"	22.989218
"322163"	98.071447	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+H+Na"	23.996494
"717864"	141.108047	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+H+Na"	23.996494
"1469495"	55.034847	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H+Na"	23.996494
"1061648"	37.0256566666667	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2H+Na"	25.00377
"1263326"	119.106686	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+CH3OH+H"	33.033486
"384088"	211.109558	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+K"	38.963158
"739977"	297.182758	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+K"	38.963158
"1546041"	125.036358	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+K"	38.963158
"304310"	106.058417	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+H+K"	39.970434
"695276"	149.095017	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+H+K"	39.970434
"1457124"	63.021817	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H+K"	39.970434
"239165"	214.180226	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+ACN+H"	42.033826
"1220623"	128.107026	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+ACN+H"	42.033826
"1208152"	64.557151	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+ACN+2H"	43.041102
"201390"	217.11756	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+2Na-H"	44.97116
"638765"	303.19076	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+2Na-H"	44.97116
"1141538"	131.04436	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2Na-H"	44.97116
"177175"	109.062418	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+2Na"	45.978436
"621109"	152.099018	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+2Na"	45.978436
"1118539"	66.025818	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2Na"	45.978436
"1408139"	44.3529706666667	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H+2Na"	46.985712
"1433695"	133.085946	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H+HCOOH"	47.012746
"226671"	114.09544	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+3H2O+2H"	56.04448
"1510724"	147.13799	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+IsoProp+H"	61.06479
"417702"	117.049388	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+Na+K"	61.952376
"782344"	160.085988	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+Na+K"	61.952376
"1672844"	74.012788	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Na+K"	61.952376
"260093"	236.162168	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+ACN+Na"	64.015768
"1229520"	150.088968	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+ACN+Na"	64.015768
"1713052"	150.112493	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+NH4+HCOOH"	64.039293
"1179385"	51.6802846666667	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+3Na"	68.967654
"1651827"	155.067888	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Na+HCOOH"	68.994688
"165254"	249.06544	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+2K-H"	76.91904
"605904"	335.13864	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+2K-H"	76.91904
"1091510"	162.99224	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2K-H"	76.91904
"150513"	125.036358	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"2M+2K"	77.926316
"586791"	168.072958	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"3M+2K"	77.926316
"1070209"	81.999758	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2K"	77.926316
"1104149"	165.006792	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2K+H"	78.933592
"1337617"	165.094407	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+DMSO+H"	79.021207
"1007240"	169.133576	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2ACN+H"	83.060376
"1526096"	170.127208	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+IsoProp+Na+H"	84.054008
"991454"	85.070426	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+2ACN+2H"	84.067652
"1592889"	171.041828	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+K+HCOOH"	84.968628
"1419644"	201.073338	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+H+CF3COOH"	115.000138
"1152118"	105.583701	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+3ACN+2H"	125.094202
"1707137"	218.099885	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+NH4+CF3COOH"	132.026685
"1635129"	223.05528	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+Na+CF3COOH"	136.98208
"1572364"	239.02922	"C01390"	"Prenol;Prenyl alcohol;3-Methyl-2-buten-1-ol"	"C5H10O"	"86.0732"	"M+K+CF3COOH"	152.95602
"810994"	150.0528	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M"	0
"986351"	131.03441	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"72772"	99.027924	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507958"	149.045524	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"881384"	49.010324	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"153"	149.045524	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"440132"	224.071924	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"819511"	74.019124	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"79375"	299.098324	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"531827"	449.151124	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"902339"	149.045524	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"54526"	316.124871	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"488621"	466.177671	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"872981"	166.072071	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"37602"	321.080266	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"474975"	471.133066	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"850226"	171.027466	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1623405"	171.027466	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"103214"	167.033863	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"546056"	242.060263	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"934103"	92.007463	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"278127"	335.075002	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"668363"	485.127802	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1276393"	185.022202	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"27698"	337.054206	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"466167"	487.107006	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"839595"	187.001406	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1568551"	187.001406	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"955341"	195.050994	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"373558"	345.103801	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"355253"	359.119451	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1505179"	209.066651	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"968350"	217.032951	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"121630"	185.022202	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"555361"	260.048602	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1025620"	109.995802	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1244473"	228.971685	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1309839"	231.027672	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1321501"	253.009629	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"918394"	263.038386	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1297291"	299.015064	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1371081"	115.040124	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1384201"	133.0501	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"283524"	301.112876	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"676674"	451.165676	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1354846"	151.060076	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"127004"	151.060076	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"567660"	226.086476	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1039376"	76.033676	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"207277"	101.042476	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"647935"	151.060076	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1167154"	51.024876	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"430426"	318.139423	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"790328"	468.192223	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1686660"	168.086623	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"336034"	159.5733495	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"727360"	234.5997495	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1485556"	84.5469495	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"399862"	323.094818	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"764135"	473.147618	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1613695"	173.042018	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"324094"	162.051047	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"715058"	237.077447	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1471063"	87.024647	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1058477"	58.35219	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1266716"	183.086286	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"378727"	339.068758	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"743004"	489.121558	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1541778"	189.015958	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"298665"	170.038017	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"697940"	245.064417	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1450674"	95.011617	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"248023"	342.139426	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1223286"	192.086626	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1206442"	96.546951	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"200409"	345.07676	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"638874"	495.12956	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1141648"	195.02396	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"183845"	173.042018	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"621218"	248.068418	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1125819"	98.015618	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1404968"	65.679504	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1437083"	197.065546	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"221554"	178.07504	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1511928"	211.11759	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"417812"	181.028988	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"779901"	256.055388	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1676235"	106.002588	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259473"	364.121368	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1229996"	214.068568	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1714870"	214.092093	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1180224"	73.006818	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1652305"	219.047488	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"168641"	377.02464	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"602737"	527.07744	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1094903"	226.97184	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"147343"	189.015958	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"587995"	264.042358	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1070320"	113.989558	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1103532"	228.986392	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1337366"	229.074007	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1009536"	233.113176	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1528765"	234.106808	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"991935"	117.060226	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1588989"	235.021428	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1423034"	265.052938	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1151135"	137.573501	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1699955"	282.079485	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1636338"	287.03488	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1584020"	303.00882	"C01394"	"Xylose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"807824"	356.2327	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M"	0
"984637"	337.21431	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-H2O-H"	-19.01839
"72881"	236.481190666667	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M-3H"	-3.021828
"505881"	355.225424	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M-3H"	-3.021828
"881492"	117.736957333333	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-3H"	-3.021828
"515"	355.225424	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M-2H"	-2.014552
"441088"	533.341774	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M-2H"	-2.014552
"819621"	177.109074	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-2H"	-2.014552
"79241"	711.458124	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M-H"	-1.007276
"530481"	1067.690824	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M-H"	-1.007276
"904272"	355.225424	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-H"	-1.007276
"57916"	728.484671	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M-2H+NH4"	16.019271
"492011"	1084.717371	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M-2H+NH4"	16.019271
"867624"	372.251971	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-2H+NH4"	16.019271
"36618"	733.440066	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M-2H+Na"	20.974666
"475085"	1089.672766	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M-2H+Na"	20.974666
"851794"	377.207366	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-2H+Na"	20.974666
"1623515"	377.207366	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Na-2H"	20.974666
"103324"	373.213763	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M-H+Cl"	33.962126
"547259"	551.330113	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M-H+Cl"	33.962126
"934213"	195.097413	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-H+Cl"	33.962126
"278237"	747.434802	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+Cl"	34.969402
"668473"	1103.667502	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+Cl"	34.969402
"1276503"	391.202102	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Cl"	34.969402
"27808"	749.414006	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M-2H+K"	36.948606
"465184"	1105.646706	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M-2H+K"	36.948606
"839705"	393.181306	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-2H+K"	36.948606
"1565381"	393.181306	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+K-2H"	36.948606
"954358"	401.230894	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-H+HCOOH"	44.998194
"374760"	757.463601	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+HCOOH-H"	44.998201
"354270"	771.479251	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+Hac-H"	59.013851
"1506383"	415.246551	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Hac-H"	59.013851
"968461"	423.212851	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-H+NaCOOH"	66.980151
"120647"	391.202102	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+2Cl"	69.938804
"552191"	569.318452	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+2Cl"	69.938804
"1022814"	213.085752	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2Cl"	69.938804
"1245313"	435.151585	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Br"	78.918885
"1309949"	437.207572	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Cl+HCOOH"	80.974872
"1321611"	459.189529	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Cl+NaCOOH"	102.956829
"915224"	469.218286	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M-H+CF3COOH"	112.985586
"1299587"	505.194964	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Cl+CF3COOH"	148.962264
"1374472"	321.220024	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H-2H2O"	-35.012676
"1391966"	339.23	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H-H2O"	-17.0027
"283636"	713.472676	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+H"	1.007276
"678243"	1069.705376	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+H"	1.007276
"1352769"	357.239976	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H"	1.007276
"126506"	357.239976	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+2H"	2.014552
"570686"	535.356326	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+2H"	2.014552
"1043860"	179.123626	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2H"	2.014552
"204949"	238.495742666667	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+3H"	3.021828
"650232"	357.239976	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+3H"	3.021828
"1165079"	119.751509333333	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+3H"	3.021828
"430536"	730.499223	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+NH4"	18.033823
"790438"	1086.731923	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+NH4"	18.033823
"1688956"	374.266523	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+NH4"	18.033823
"335051"	365.7532495	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+H+NH4"	19.041099
"728563"	543.8695995	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+H+NH4"	19.041099
"1483479"	187.6368995	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H+NH4"	19.041099
"398876"	735.454618	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+Na"	22.989218
"760965"	1091.687318	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+Na"	22.989218
"1612346"	379.221918	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Na"	22.989218
"322379"	368.230947	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+H+Na"	23.996494
"712613"	546.347297	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+H+Na"	23.996494
"1469713"	190.114597	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H+Na"	23.996494
"1060773"	127.078823333333	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2H+Na"	25.00377
"1265731"	389.266186	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+CH3OH+H"	33.033486
"379932"	751.428558	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+K"	38.963158
"742021"	1107.661258	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+K"	38.963158
"1541156"	395.195858	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+K"	38.963158
"299429"	376.217917	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+H+K"	39.970434
"693673"	554.334267	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+H+K"	39.970434
"1454056"	198.101567	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H+K"	39.970434
"238292"	754.499226	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+ACN+H"	42.033826
"1220480"	398.266526	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+ACN+H"	42.033826
"1206189"	199.636901	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+ACN+2H"	43.041102
"196504"	757.43656	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+2Na-H"	44.97116
"638251"	1113.66926	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+2Na-H"	44.97116
"1140666"	401.20386	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2Na-H"	44.97116
"180675"	379.221918	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+2Na"	45.978436
"620235"	557.338268	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+2Na"	45.978436
"1123741"	201.105568	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2Na"	45.978436
"1405078"	134.406137333333	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H+2Na"	46.985712
"1439380"	403.245446	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H+HCOOH"	47.012746
"224702"	384.25494	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+3H2O+2H"	56.04448
"1512038"	417.29749	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+IsoProp+H"	61.06479
"414642"	387.208888	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+Na+K"	61.952376
"776731"	565.325238	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+Na+K"	61.952376
"1675249"	209.092538	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Na+K"	61.952376
"258489"	776.481168	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+ACN+Na"	64.015768
"1229012"	420.248468	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+ACN+Na"	64.015768
"1714618"	420.271993	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+NH4+HCOOH"	64.039293
"1180333"	141.733451333333	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+3Na"	68.967654
"1653145"	425.227388	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Na+HCOOH"	68.994688
"163284"	789.38444	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+2K-H"	76.91904
"605032"	1145.61714	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+2K-H"	76.91904
"1092826"	433.15174	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2K-H"	76.91904
"148546"	395.195858	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"2M+2K"	77.926316
"588106"	573.312208	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"3M+2K"	77.926316
"1069699"	217.079508	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2K"	77.926316
"1102549"	435.166292	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2K+H"	78.933592
"1336746"	435.253907	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+DMSO+H"	79.021207
"1010740"	439.293076	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2ACN+H"	83.060376
"1528876"	440.286708	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+IsoProp+Na+H"	84.054008
"992043"	220.150176	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+2ACN+2H"	84.067652
"1590922"	441.201328	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+K+HCOOH"	84.968628
"1423144"	471.232838	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+H+CF3COOH"	115.000138
"1151245"	240.663451	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+3ACN+2H"	125.094202
"1700794"	488.259385	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+NH4+CF3COOH"	132.026685
"1634988"	493.21478	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+Na+CF3COOH"	136.98208
"1584130"	509.18872	"C01397"	"Arachidonyltrifluoromethane;AACOCF3"	"C21H31F3O"	"356.2327"	"M+K+CF3COOH"	152.95602
"811216"	89.0477	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M"	0
"979281"	70.02931	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"65338"	58.3578573333333	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"517662"	88.040424	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"894735"	28.6752906666667	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"10026"	88.040424	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"452868"	132.564274	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"831041"	43.516574	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"90302"	177.088124	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"530590"	266.135824	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"908026"	88.040424	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"58026"	194.114671	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"497591"	283.162371	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"876483"	105.066971	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"37823"	199.070066	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"483945"	288.117766	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"859559"	110.022366	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1630186"	110.022366	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"106715"	106.028763	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"547863"	150.552613	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"940521"	61.504913	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"281145"	213.064802	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"671863"	302.112502	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1285361"	124.017102	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"28287"	215.044006	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"467121"	304.091706	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"844194"	125.996306	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1567315"	125.996306	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"954469"	134.045894	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"373778"	223.093601	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"356569"	237.109251	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1505401"	148.061551	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"964197"	156.027851	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"118572"	124.017102	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"556313"	168.540952	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1028393"	79.493252	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1248705"	167.966585	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1315168"	170.022572	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1331932"	192.004529	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"918621"	202.033286	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1296421"	238.009964	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1375675"	54.035024	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1388801"	72.045	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"291768"	179.102676	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"683095"	268.150376	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1353976"	90.054976	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"132331"	90.054976	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"574077"	134.578826	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1038872"	45.531126	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"205798"	60.3724093333333	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"649250"	90.054976	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1166281"	30.6898426666667	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"427366"	196.129223	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"785927"	285.176923	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1682504"	107.081523	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"336249"	98.5682495	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"725390"	143.0920995	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1478358"	54.0443995	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"393514"	201.084618	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"755605"	290.132318	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1603454"	112.036918	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"317020"	101.045947	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"716003"	145.569797	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1470916"	56.522097	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1059789"	38.0171566666667	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1266936"	122.081186	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"385511"	217.058558	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"750519"	306.106258	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1549661"	128.010858	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"305743"	109.032917	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"697072"	153.556767	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1455269"	64.509067	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"242776"	220.129226	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1222054"	131.081526	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1206666"	66.044401	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
"195524"	223.06656	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+2Na-H"	44.97116
"639460"	312.11426	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+2Na-H"	44.97116
"1139685"	134.01886	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"183340"	112.036918	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"619254"	156.560768	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1122759"	67.513068	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1410658"	45.3444706666667	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1437309"	136.060446	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"231378"	117.06994	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1519441"	150.11249	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"421313"	120.023888	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"780122"	164.547738	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1675362"	75.500038	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"262975"	242.111168	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1236775"	153.063468	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1720196"	153.086993	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1180446"	52.6717846666667	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1659815"	158.042388	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"169955"	255.01444	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"600769"	344.06214	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1095122"	165.96674	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"145378"	128.010858	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"586032"	172.534708	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1072000"	83.487008	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1103752"	167.981292	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1339050"	168.068907	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1008674"	172.108076	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1527893"	173.101708	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"992152"	86.557676	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1589933"	174.016328	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1414750"	204.047838	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1154638"	107.070951	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1712539"	221.074385	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1649321"	226.02978	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1584242"	242.00372	"C01401"	"Alanine;2-Aminopropionic acid;2-Aminopropanoic acid"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"806952"	108.0575	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M"	0
"981580"	89.03911	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-H2O-H"	-19.01839
"75295"	71.0310573333333	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M-3H"	-3.021828
"513760"	107.050224	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M-3H"	-3.021828
"883906"	35.0118906666667	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-3H"	-3.021828
"6857"	107.050224	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M-2H"	-2.014552
"443136"	161.078974	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M-2H"	-2.014552
"829691"	53.021474	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-2H"	-2.014552
"89681"	215.107724	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M-H"	-1.007276
"530335"	323.165224	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M-H"	-1.007276
"905948"	107.050224	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-H"	-1.007276
"58135"	232.134271	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M-2H+NH4"	16.019271
"499884"	340.191771	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M-2H+NH4"	16.019271
"874404"	124.076771	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-2H+NH4"	16.019271
"40118"	237.089666	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M-2H+Na"	20.974666
"478586"	345.147166	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M-2H+Na"	20.974666
"854201"	129.032166	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-2H+Na"	20.974666
"1623735"	129.032166	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Na-2H"	20.974666
"105733"	125.038563	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M-H+Cl"	33.962126
"546386"	179.067313	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M-H+Cl"	33.962126
"941849"	71.009813	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-H+Cl"	33.962126
"281498"	251.084402	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+Cl"	34.969402
"673798"	359.141902	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+Cl"	34.969402
"1285472"	143.026902	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Cl"	34.969402
"26935"	253.063606	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M-2H+K"	36.948606
"467589"	361.121106	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M-2H+K"	36.948606
"844668"	145.006106	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-2H+K"	36.948606
"1567791"	145.006106	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+K-2H"	36.948606
"951300"	153.055694	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-H+HCOOH"	44.998194
"372795"	261.113201	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+HCOOH-H"	44.998201
"357771"	275.128851	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+Hac-H"	59.013851
"1503692"	167.071351	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Hac-H"	59.013851
"968681"	175.037651	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-H+NaCOOH"	66.980151
"116498"	143.026902	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+2Cl"	69.938804
"554964"	197.055652	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+2Cl"	69.938804
"1028146"	88.998152	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2Cl"	69.938804
"1252098"	186.976385	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Br"	78.918885
"1315640"	189.032372	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Cl+HCOOH"	80.974872
"1329860"	211.014329	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Cl+NaCOOH"	102.956829
"924198"	221.043086	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M-H+CF3COOH"	112.985586
"1296531"	257.019764	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Cl+CF3COOH"	148.962264
"1380159"	73.044824	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H-2H2O"	-35.012676
"1388911"	91.0548	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H-H2O"	-17.0027
"291878"	217.122276	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+H"	1.007276
"679923"	325.179776	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+H"	1.007276
"1355179"	109.064776	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H"	1.007276
"134628"	109.064776	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+2H"	2.014552
"569820"	163.093526	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+2H"	2.014552
"1041898"	55.036026	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2H"	2.014552
"207611"	73.0456093333333	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+3H"	3.021828
"652640"	109.064776	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+3H"	3.021828
"1166391"	37.0264426666667	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+3H"	3.021828
"429663"	234.148823	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+NH4"	18.033823
"786281"	342.206323	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+NH4"	18.033823
"1682248"	126.091323	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+NH4"	18.033823
"335266"	117.5780495	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+H+NH4"	19.041099
"724407"	171.6067995	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+H+NH4"	19.041099
"1477496"	63.5492995	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H+NH4"	19.041099
"396907"	239.104218	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+Na"	22.989218
"755715"	347.161718	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+Na"	22.989218
"1603564"	131.046718	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Na"	22.989218
"316765"	120.055747	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+H+Na"	23.996494
"713927"	174.084497	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+H+Na"	23.996494
"1464465"	66.026997	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H+Na"	23.996494
"1056618"	44.3537566666667	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2H+Na"	25.00377
"1262671"	141.090986	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+CH3OH+H"	33.033486
"384532"	255.078158	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+K"	38.963158
"743346"	363.135658	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+K"	38.963158
"1545398"	147.020658	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+K"	38.963158
"306948"	128.042717	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+H+K"	39.970434
"698276"	182.071467	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+H+K"	39.970434
"1452097"	74.013967	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H+K"	39.970434
"247628"	258.148826	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+ACN+H"	42.033826
"1218877"	150.091326	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+ACN+H"	42.033826
"1204949"	75.549301	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+ACN+2H"	43.041102
"200005"	261.08616	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+2Na-H"	44.97116
"637378"	369.14366	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+2Na-H"	44.97116
"1138696"	153.02866	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2Na-H"	44.97116
"176521"	131.046718	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+2Na"	45.978436
"619364"	185.075468	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+2Na"	45.978436
"1122869"	77.017968	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2Na"	45.978436
"1405302"	51.6810706666667	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H+2Na"	46.985712
"1433408"	155.070246	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H+HCOOH"	47.012746
"227114"	136.07974	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+3H2O+2H"	56.04448
"1516269"	169.12229	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+IsoProp+H"	61.06479
"413769"	139.033688	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+Na+K"	61.952376
"776952"	193.062438	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+Na+K"	61.952376
"1671098"	85.004938	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Na+K"	61.952376
"256525"	280.130768	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+ACN+Na"	64.015768
"1227043"	172.073268	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+ACN+Na"	64.015768
"1713376"	172.096793	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+NH4+HCOOH"	64.039293
"1183471"	59.0083846666667	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+3Na"	68.967654
"1651176"	177.052188	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Na+HCOOH"	68.994688
"161317"	293.03404	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+2K-H"	76.91904
"598692"	401.09154	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+2K-H"	76.91904
"1085389"	184.97654	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2K-H"	76.91904
"142691"	147.020658	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"2M+2K"	77.926316
"582497"	201.049408	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"3M+2K"	77.926316
"1070652"	92.991908	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2K"	77.926316
"1102046"	186.991092	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2K+H"	78.933592
"1336967"	187.078707	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+DMSO+H"	79.021207
"1008784"	191.117876	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2ACN+H"	83.060376
"1526182"	192.111508	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+IsoProp+Na+H"	84.054008
"990803"	96.062576	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+2ACN+2H"	84.067652
"1592239"	193.026128	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+K+HCOOH"	84.968628
"1426650"	223.057638	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+H+CF3COOH"	115.000138
"1161681"	116.575851	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+3ACN+2H"	125.094202
"1711841"	240.084185	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+NH4+CF3COOH"	132.026685
"1649313"	245.03958	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+Na+CF3COOH"	136.98208
"1584353"	261.01352	"C01403"	"Anisole;Methoxybenzene;Methyl phenyl ether;Phenol methyl ether"	"C7H8O"	"108.0575"	"M+K+CF3COOH"	152.95602
"805969"	202.143	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M"	0
"981690"	183.12461	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-H2O-H"	-19.01839
"77591"	133.754724	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M-3H"	-3.021828
"512777"	201.135724	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M-3H"	-3.021828
"884016"	66.373724	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-3H"	-3.021828
"6967"	201.135724	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M-2H"	-2.014552
"443610"	302.207224	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M-2H"	-2.014552
"828344"	100.064224	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-2H"	-2.014552
"90883"	403.278724	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M-H"	-1.007276
"524976"	605.421724	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M-H"	-1.007276
"906058"	201.135724	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-H"	-1.007276
"53870"	420.305271	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M-2H+NH4"	16.019271
"496712"	622.448271	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M-2H+NH4"	16.019271
"871233"	218.162271	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-2H+NH4"	16.019271
"36948"	425.260666	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M-2H+Na"	20.974666
"477602"	627.403666	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M-2H+Na"	20.974666
"851029"	223.117666	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-2H+Na"	20.974666
"1622751"	223.117666	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Na-2H"	20.974666
"100375"	219.124063	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M-H+Cl"	33.962126
"546496"	320.195563	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M-H+Cl"	33.962126
"941836"	118.052563	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-H+Cl"	33.962126
"280757"	439.255402	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+Cl"	34.969402
"672816"	641.398402	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+Cl"	34.969402
"1279021"	237.112402	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Cl"	34.969402
"24857"	441.234606	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M-2H+K"	36.948606
"463328"	643.377606	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M-2H+K"	36.948606
"845506"	239.091606	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-2H+K"	36.948606
"1563525"	239.091606	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+K-2H"	36.948606
"951409"	247.141194	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-H+HCOOH"	44.998194
"372905"	449.284201	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+HCOOH-H"	44.998201
"355693"	463.299851	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+Hac-H"	59.013851
"1498333"	261.156851	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Hac-H"	59.013851
"966603"	269.123151	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-H+NaCOOH"	66.980151
"114055"	237.112402	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+2Cl"	69.938804
"555440"	338.183902	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+2Cl"	69.938804
"1030443"	136.040902	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2Cl"	69.938804
"1250022"	281.061885	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Br"	78.918885
"1316843"	283.117872	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Cl+HCOOH"	80.974872
"1334709"	305.099829	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Cl+NaCOOH"	102.956829
"923217"	315.128586	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M-H+CF3COOH"	112.985586
"1299925"	351.105264	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Cl+CF3COOH"	148.962264
"1379176"	167.130324	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H-2H2O"	-35.012676
"1394487"	185.1403	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H-H2O"	-17.0027
"289800"	405.293276	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+H"	1.007276
"680034"	607.436276	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+H"	1.007276
"1357476"	203.150276	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H"	1.007276
"135832"	203.150276	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+2H"	2.014552
"579775"	304.221776	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+2H"	2.014552
"1046386"	102.078776	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2H"	2.014552
"208818"	135.769276	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+3H"	3.021828
"649470"	203.150276	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+3H"	3.021828
"1167596"	68.388276	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+3H"	3.021828
"428680"	422.319823	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+NH4"	18.033823
"789675"	624.462823	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+NH4"	18.033823
"1681788"	220.176823	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+NH4"	18.033823
"333190"	211.6635495	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+H+NH4"	19.041099
"729985"	312.7350495	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+H+NH4"	19.041099
"1483808"	110.5920495	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H+NH4"	19.041099
"402485"	427.275218	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+Na"	22.989218
"760201"	629.418218	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+Na"	22.989218
"1606475"	225.132218	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Na"	22.989218
"318699"	214.141247	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+H+Na"	23.996494
"718412"	315.212747	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+H+Na"	23.996494
"1470047"	113.069747	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H+Na"	23.996494
"1060009"	75.71559	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2H+Na"	25.00377
"1260595"	235.176486	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+CH3OH+H"	33.033486
"380269"	443.249158	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+K"	38.963158
"747832"	645.392158	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+K"	38.963158
"1546602"	241.106158	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+K"	38.963158
"308154"	222.128217	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+H+K"	39.970434
"698386"	323.199717	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+H+K"	39.970434
"1451114"	121.056717	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H+K"	39.970434
"248470"	446.319826	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+ACN+H"	42.033826
"1223002"	244.176826	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+ACN+H"	42.033826
"1206156"	122.592051	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+ACN+2H"	43.041102
"202307"	449.25716	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+2Na-H"	44.97116
"638585"	651.40016	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+2Na-H"	44.97116
"1138083"	247.11416	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2Na-H"	44.97116
"185384"	225.132218	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+2Na"	45.978436
"624944"	326.203718	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+2Na"	45.978436
"1125170"	124.060718	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2Na"	45.978436
"1408692"	83.042904	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H+2Na"	46.985712
"1438625"	249.155746	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H+HCOOH"	47.012746
"231599"	230.16524	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+3H2O+2H"	56.04448
"1519663"	263.20779	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+IsoProp+H"	61.06479
"419347"	233.119188	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+Na+K"	61.952376
"773782"	334.190688	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+Na+K"	61.952376
"1673396"	132.047688	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Na+K"	61.952376
"256636"	468.301768	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+ACN+Na"	64.015768
"1228249"	266.158768	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+ACN+Na"	64.015768
"1718228"	266.182293	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+NH4+HCOOH"	64.039293
"1181395"	90.370218	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+3Na"	68.967654
"1652744"	271.137688	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Na+HCOOH"	68.994688
"161062"	481.20504	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+2K-H"	76.91904
"599041"	683.34804	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+2K-H"	76.91904
"1085863"	279.06204	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2K-H"	76.91904
"143772"	241.106158	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"2M+2K"	77.926316
"582971"	342.177658	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"3M+2K"	77.926316
"1071490"	140.034658	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2K"	77.926316
"1105075"	281.076592	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2K+H"	78.933592
"1338903"	281.164207	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+DMSO+H"	79.021207
"1008897"	285.203376	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2ACN+H"	83.060376
"1527020"	286.197008	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+IsoProp+Na+H"	84.054008
"991519"	143.105326	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+2ACN+2H"	84.067652
"1594536"	287.111628	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+K+HCOOH"	84.968628
"1428947"	317.143138	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+H+CF3COOH"	115.000138
"1160335"	163.618601	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+3ACN+2H"	125.094202
"1712315"	334.169685	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+NH4+CF3COOH"	132.026685
"1648451"	339.12508	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+Na+CF3COOH"	136.98208
"1584463"	355.09902	"C01404"	"Arg-OEt"	"C8H18N4O2"	"202.143"	"M+K+CF3COOH"	152.95602
"804986"	180.0423	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M"	0
"980707"	161.02391	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-H2O-H"	-19.01839
"63478"	119.020924	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M-3H"	-3.021828
"508509"	179.035024	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M-3H"	-3.021828
"885218"	59.006824	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-3H"	-3.021828
"426"	179.035024	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M-2H"	-2.014552
"440477"	269.056174	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M-2H"	-2.014552
"829547"	89.013874	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-2H"	-2.014552
"87713"	359.077324	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M-H"	-1.007276
"525086"	539.119624	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M-H"	-1.007276
"907261"	179.035024	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-H"	-1.007276
"51428"	376.103871	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M-2H+NH4"	16.019271
"491355"	556.146171	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M-2H+NH4"	16.019271
"867333"	196.061571	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-2H+NH4"	16.019271
"37058"	381.059266	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M-2H+Na"	20.974666
"476619"	561.101566	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M-2H+Na"	20.974666
"852233"	201.016966	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-2H+Na"	20.974666
"1622861"	201.016966	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Na-2H"	20.974666
"100484"	197.023363	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M-H+Cl"	33.962126
"547699"	287.044513	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M-H+Cl"	33.962126
"941215"	107.002213	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-H+Cl"	33.962126
"280139"	395.054002	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+Cl"	34.969402
"671834"	575.096302	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+Cl"	34.969402
"1282409"	215.011702	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Cl"	34.969402
"26061"	397.033206	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M-2H+K"	36.948606
"465626"	577.075506	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M-2H+K"	36.948606
"842334"	216.990906	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-2H+K"	36.948606
"1561448"	216.990906	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+K-2H"	36.948606
"949333"	225.040494	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-H+HCOOH"	44.998194
"371921"	405.082801	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+HCOOH-H"	44.998201
"355805"	419.098451	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+Hac-H"	59.013851
"1499173"	239.056151	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Hac-H"	59.013851
"965620"	247.022451	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-H+NaCOOH"	66.980151
"117813"	215.011702	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+2Cl"	69.938804
"559560"	305.032852	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+2Cl"	69.938804
"1030551"	124.990552	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2Cl"	69.938804
"1249038"	258.961185	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Br"	78.918885
"1315859"	261.017172	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Cl+HCOOH"	80.974872
"1334452"	282.999129	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Cl+NaCOOH"	102.956829
"925149"	293.027886	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M-H+CF3COOH"	112.985586
"1300034"	329.004564	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Cl+CF3COOH"	148.962264
"1379286"	145.029624	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H-2H2O"	-35.012676
"1391316"	163.0396	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H-H2O"	-17.0027
"289909"	361.091876	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+H"	1.007276
"680144"	541.134176	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+H"	1.007276
"1358679"	181.049576	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H"	1.007276
"133755"	181.049576	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+2H"	2.014552
"580250"	271.070726	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+2H"	2.014552
"1048683"	91.028426	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2H"	2.014552
"211116"	121.035476	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+3H"	3.021828
"649580"	181.049576	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+3H"	3.021828
"1168800"	61.021376	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+3H"	3.021828
"427697"	378.118423	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+NH4"	18.033823
"789785"	558.160723	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+NH4"	18.033823
"1681859"	198.076123	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+NH4"	18.033823
"333300"	189.5628495	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+H+NH4"	19.041099
"726815"	279.5839995	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+H+NH4"	19.041099
"1487197"	99.5416995	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H+NH4"	19.041099
"401502"	383.073818	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+Na"	22.989218
"761404"	563.116118	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+Na"	22.989218
"1607315"	203.031518	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Na"	22.989218
"318445"	192.040547	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+H+Na"	23.996494
"718522"	282.061697	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+H+Na"	23.996494
"1466875"	102.019397	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H+Na"	23.996494
"1060119"	68.34869	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2H+Na"	25.00377
"1261069"	213.075786	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+CH3OH+H"	33.033486
"384751"	399.047758	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+K"	38.963158
"744658"	579.090058	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+K"	38.963158
"1548897"	219.005458	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+K"	38.963158
"304979"	200.027517	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+H+K"	39.970434
"695212"	290.048667	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+H+K"	39.970434
"1452315"	110.006367	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H+K"	39.970434
"246393"	402.118426	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+ACN+H"	42.033826
"1220926"	222.076126	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+ACN+H"	42.033826
"1206266"	111.541701	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+ACN+2H"	43.041102
"202052"	405.05576	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+2Na-H"	44.97116
"639788"	585.09806	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+2Na-H"	44.97116
"1140014"	225.01346	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2Na-H"	44.97116
"186587"	203.031518	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+2Na"	45.978436
"623960"	293.052668	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+2Na"	45.978436
"1127466"	113.010368	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2Na"	45.978436
"1408802"	75.676004	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H+2Na"	46.985712
"1439829"	227.055046	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H+HCOOH"	47.012746
"232802"	208.06454	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+3H2O+2H"	56.04448
"1517587"	241.10709	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+IsoProp+H"	61.06479
"416177"	211.018488	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+Na+K"	61.952376
"774985"	301.039638	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+Na+K"	61.952376
"1673506"	120.997338	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Na+K"	61.952376
"258932"	424.100368	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+ACN+Na"	64.015768
"1231641"	244.058068	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+ACN+Na"	64.015768
"1718337"	244.081593	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+NH4+HCOOH"	64.039293
"1182598"	83.003318	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+3Na"	68.967654
"1655770"	249.036988	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Na+HCOOH"	68.994688
"159351"	437.00364	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+2K-H"	76.91904
"598424"	617.04594	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+2K-H"	76.91904
"1085606"	256.96134	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2K-H"	76.91904
"143156"	219.005458	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"2M+2K"	77.926316
"582836"	309.026608	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"3M+2K"	77.926316
"1070506"	128.984308	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2K"	77.926316
"1102999"	258.975892	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2K+H"	78.933592
"1338284"	259.063507	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+DMSO+H"	79.021207
"1009007"	263.102676	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2ACN+H"	83.060376
"1525914"	264.096308	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+IsoProp+Na+H"	84.054008
"991144"	132.054976	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+2ACN+2H"	84.067652
"1589178"	265.010928	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+K+HCOOH"	84.968628
"1429422"	295.042438	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+H+CF3COOH"	115.000138
"1160080"	152.568251	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+3ACN+2H"	125.094202
"1712180"	312.068985	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+NH4+CF3COOH"	132.026685
"1648925"	317.02438	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+Na+CF3COOH"	136.98208
"1584573"	332.99832	"C01405"	"Aspirin;Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate"	"C9H8O4"	"180.0423"	"M+K+CF3COOH"	152.95602
"805096"	78.047	"C01407"	"Benzene"	"C6H6"	"78.047"	"M"	0
"980817"	59.02861	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-H2O-H"	-19.01839
"63033"	51.0240573333333	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M-3H"	-3.021828
"507526"	77.039724	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M-3H"	-3.021828
"884235"	25.0083906666667	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-3H"	-3.021828
"620"	77.039724	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M-2H"	-2.014552
"440547"	116.063224	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M-2H"	-2.014552
"822726"	38.016224	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-2H"	-2.014552
"87823"	155.086724	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M-H"	-1.007276
"525196"	233.133724	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M-H"	-1.007276
"906278"	77.039724	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-H"	-1.007276
"49715"	172.113271	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M-2H+NH4"	16.019271
"489276"	250.160271	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M-2H+NH4"	16.019271
"865984"	94.066271	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-2H+NH4"	16.019271
"37168"	177.068666	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M-2H+Na"	20.974666
"475636"	255.115666	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M-2H+Na"	20.974666
"851248"	99.021666	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-2H+Na"	20.974666
"1621513"	99.021666	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Na-2H"	20.974666
"102781"	95.028063	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M-H+Cl"	33.962126
"544530"	134.051563	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M-H+Cl"	33.962126
"939140"	56.004563	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-H+Cl"	33.962126
"277696"	191.063402	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+Cl"	34.969402
"670850"	269.110402	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+Cl"	34.969402
"1280334"	113.016402	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Cl"	34.969402
"23985"	193.042606	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M-2H+K"	36.948606
"463912"	271.089606	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M-2H+K"	36.948606
"840256"	114.995606	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-2H+K"	36.948606
"1562286"	114.995606	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+K-2H"	36.948606
"949444"	123.045194	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-H+HCOOH"	44.998194
"369845"	201.092201	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+HCOOH-H"	44.998201
"355915"	215.107851	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+Hac-H"	59.013851
"1494907"	137.060851	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Hac-H"	59.013851
"963541"	145.027151	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-H+NaCOOH"	66.980151
"113546"	113.016402	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+2Cl"	69.938804
"554198"	152.039902	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+2Cl"	69.938804
"1030662"	73.992902	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2Cl"	69.938804
"1249148"	156.965885	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Br"	78.918885
"1315969"	159.021872	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Cl+HCOOH"	80.974872
"1334562"	181.003829	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Cl+NaCOOH"	102.956829
"926232"	191.032586	"C01407"	"Benzene"	"C6H6"	"78.047"	"M-H+CF3COOH"	112.985586
"1303424"	227.009264	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Cl+CF3COOH"	148.962264
"1379032"	43.034324	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H-2H2O"	-35.012676
"1397622"	61.0443	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H-H2O"	-17.0027
"295486"	157.101276	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+H"	1.007276
"683534"	235.148276	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+H"	1.007276
"1359884"	79.054276	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H"	1.007276
"133865"	79.054276	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+2H"	2.014552
"569050"	118.077776	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+2H"	2.014552
"1049886"	40.030776	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2H"	2.014552
"210133"	53.0386093333333	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+3H"	3.021828
"651878"	79.054276	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+3H"	3.021828
"1167818"	27.0229426666667	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+3H"	3.021828
"431087"	174.127823	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+NH4"	18.033823
"789895"	252.174823	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+NH4"	18.033823
"1682944"	96.080823	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+NH4"	18.033823
"333410"	87.5675495	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+H+NH4"	19.041099
"726925"	126.5910495	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+H+NH4"	19.041099
"1485120"	48.5440495	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H+NH4"	19.041099
"402706"	179.083218	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+Na"	22.989218
"759327"	257.130218	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+Na"	22.989218
"1606331"	101.036218	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Na"	22.989218
"321835"	90.045247	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+H+Na"	23.996494
"717537"	129.068747	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+H+Na"	23.996494
"1470266"	51.021747	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H+Na"	23.996494
"1056949"	34.3502566666667	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2H+Na"	25.00377
"1260086"	111.080486	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+CH3OH+H"	33.033486
"382675"	195.057158	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+K"	38.963158
"746953"	273.104158	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+K"	38.963158
"1549006"	117.010158	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+K"	38.963158
"305087"	98.032217	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+H+K"	39.970434
"695323"	137.055717	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+H+K"	39.970434
"1452425"	59.008717	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H+K"	39.970434
"247597"	198.127826	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+ACN+H"	42.033826
"1223220"	120.080826	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+ACN+H"	42.033826
"1203096"	60.544051	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+ACN+2H"	43.041102
"200339"	201.06516	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+2Na-H"	44.97116
"637711"	279.11216	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+2Na-H"	44.97116
"1138301"	123.01816	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2Na-H"	44.97116
"184510"	101.036218	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+2Na"	45.978436
"619330"	140.059718	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+2Na"	45.978436
"1122109"	62.012718	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2Na"	45.978436
"1405994"	41.6775706666667	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H+2Na"	46.985712
"1441029"	125.059746	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H+HCOOH"	47.012746
"231819"	106.06924	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+3H2O+2H"	56.04448
"1518791"	139.11179	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+IsoProp+H"	61.06479
"416287"	109.023188	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+Na+K"	61.952376
"774366"	148.046688	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+Na+K"	61.952376
"1676895"	69.999688	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Na+K"	61.952376
"261228"	220.109768	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+ACN+Na"	64.015768
"1231751"	142.062768	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+ACN+Na"	64.015768
"1717354"	142.086293	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+NH4+HCOOH"	64.039293
"1182708"	49.0048846666667	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+3Na"	68.967654
"1655880"	147.041688	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Na+HCOOH"	68.994688
"158733"	233.01304	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+2K-H"	76.91904
"598655"	311.06004	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+2K-H"	76.91904
"1085355"	154.96604	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2K-H"	76.91904
"142902"	117.010158	"C01407"	"Benzene"	"C6H6"	"78.047"	"2M+2K"	77.926316
"582825"	156.033658	"C01407"	"Benzene"	"C6H6"	"78.047"	"3M+2K"	77.926316
"1073172"	77.986658	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2K"	77.926316
"1102741"	156.980592	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2K+H"	78.933592
"1337301"	157.068207	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+DMSO+H"	79.021207
"1009477"	161.107376	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2ACN+H"	83.060376
"1527240"	162.101008	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+IsoProp+Na+H"	84.054008
"991132"	81.057326	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+2ACN+2H"	84.067652
"1589288"	163.015628	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+K+HCOOH"	84.968628
"1428802"	193.047138	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+H+CF3COOH"	115.000138
"1159462"	101.570601	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+3ACN+2H"	125.094202
"1712290"	210.073685	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+NH4+CF3COOH"	132.026685
"1649035"	215.02908	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+Na+CF3COOH"	136.98208
"1584683"	231.00302	"C01407"	"Benzene"	"C6H6"	"78.047"	"M+K+CF3COOH"	152.95602
"808486"	212.0837	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M"	0
"982020"	193.06531	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"63698"	140.381857333333	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"507636"	211.076424	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"884345"	69.6872906666667	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"1094"	211.076424	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"440657"	317.118274	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"822472"	105.034574	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"85747"	423.160124	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"524213"	635.243824	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"905295"	211.076424	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"48125"	440.186671	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"488779"	652.270371	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"865482"	228.102971	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"33998"	445.142066	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"475746"	657.225766	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"848683"	233.058366	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1624177"	233.058366	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"101798"	229.064763	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"545733"	335.106613	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"933786"	123.022913	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"274529"	459.136802	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"669137"	671.220502	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1282630"	247.053102	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"23368"	461.116006	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"465846"	673.199706	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"841825"	249.032306	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1563125"	249.032306	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"952833"	257.081894	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"372141"	469.165601	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"356026"	483.181251	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1501580"	271.097551	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"965110"	279.063851	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"113656"	247.053102	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"554675"	353.094952	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1030044"	141.011252	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1248164"	291.002585	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1316080"	293.058572	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1334308"	315.040529	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"923547"	325.069286	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1301348"	361.045964	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1382301"	177.071024	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1395911"	195.081	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"297784"	425.174676	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"686925"	637.258376	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1357808"	213.090976	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"136162"	213.090976	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"571348"	319.132826	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1049996"	107.049126	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"215712"	142.396409333333	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"649801"	213.090976	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1165375"	71.7018426666667	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"429012"	442.201223	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"790007"	654.284923	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1689616"	230.117523	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"336801"	221.6042495	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"729222"	327.6460995	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1484138"	115.5623995	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"403911"	447.156618	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"761624"	659.240318	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1606441"	235.072918	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"321945"	224.081947	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"718740"	330.123797	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1470376"	118.040097	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1057059"	79.0291566666667	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1260926"	245.117186	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"380599"	463.130558	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"740503"	675.214258	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1541463"	251.046858	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"299733"	232.068917	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"693248"	338.110767	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1448162"	126.027067	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"246615"	466.201226	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1220414"	254.117526	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1203206"	127.562401	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"199356"	469.13856	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"633813"	681.22226	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1135130"	257.05486	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"181340"	235.072918	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"615795"	341.114768	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1122219"	129.031068	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1402824"	86.3564706666667	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1441139"	259.096446	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"231929"	240.10594	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1519996"	273.14849	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"420772"	243.059888	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"780672"	349.101738	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1677735"	137.018038	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"258058"	488.183168	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1232954"	276.099468	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1718559"	276.122993	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1186099"	93.6837846666667	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1655992"	281.078388	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"159571"	501.08644	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"599131"	713.17014	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1084739"	289.00274	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"145929"	251.046858	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"582572"	357.088708	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1073282"	145.005008	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1103219"	291.017292	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1338507"	291.104907	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1007402"	295.144076	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1527351"	296.137708	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"991974"	148.075676	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1587333"	297.052328	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1424901"	327.083838	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1162121"	168.588951	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1712400"	344.110385	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1648051"	349.06578	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1584793"	365.03972	"C01408"	"Benzoin;2-Hydroxy-12-diphenylethanone;Benzoin tincture"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"815157"	232.1059	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M"	0
"987598"	213.08751	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-H2O-H"	-19.01839
"67091"	153.729990666667	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M-3H"	-3.021828
"512121"	231.098624	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M-3H"	-3.021828
"885549"	76.3613573333333	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-3H"	-3.021828
"7402"	231.098624	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M-2H"	-2.014552
"443682"	347.151574	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M-2H"	-2.014552
"822582"	115.045674	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-2H"	-2.014552
"88046"	463.204524	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M-H"	-1.007276
"524323"	695.310424	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M-H"	-1.007276
"897871"	231.098624	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-H"	-1.007276
"48478"	480.231071	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M-2H+NH4"	16.019271
"488525"	712.336971	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M-2H+NH4"	16.019271
"867300"	248.125171	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-2H+NH4"	16.019271
"40670"	485.186466	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M-2H+Na"	20.974666
"479136"	717.292366	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M-2H+Na"	20.974666
"853658"	253.080566	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-2H+Na"	20.974666
"1625380"	253.080566	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Na-2H"	20.974666
"106283"	249.086963	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M-H+Cl"	33.962126
"546573"	365.139913	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M-H+Cl"	33.962126
"934989"	133.034013	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-H+Cl"	33.962126
"273910"	499.181202	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+Cl"	34.969402
"668518"	731.287102	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+Cl"	34.969402
"1280554"	267.075302	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Cl"	34.969402
"23844"	501.160406	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M-2H+K"	36.948606
"465956"	733.266306	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M-2H+K"	36.948606
"845946"	269.054506	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-2H+K"	36.948606
"1567249"	269.054506	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+K-2H"	36.948606
"954039"	277.104094	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-H+HCOOH"	44.998194
"372254"	509.210001	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+HCOOH-H"	44.998201
"357962"	523.225651	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+Hac-H"	59.013851
"1500598"	291.119751	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Hac-H"	59.013851
"967045"	299.086051	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-H+NaCOOH"	66.980151
"117049"	267.075302	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+2Cl"	69.938804
"558796"	383.128252	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+2Cl"	69.938804
"1030884"	151.022352	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2Cl"	69.938804
"1255931"	311.024785	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Br"	78.918885
"1318380"	313.080772	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Cl+HCOOH"	80.974872
"1335352"	335.062729	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Cl+NaCOOH"	102.956829
"925481"	345.091486	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M-H+CF3COOH"	112.985586
"1302189"	381.068164	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Cl+CF3COOH"	148.962264
"1381684"	197.093224	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H-2H2O"	-35.012676
"1397723"	215.1032	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H-H2O"	-17.0027
"295707"	465.219076	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+H"	1.007276
"690315"	697.324976	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+H"	1.007276
"1360103"	233.113176	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H"	1.007276
"139552"	233.113176	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+2H"	2.014552
"576928"	349.166126	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+2H"	2.014552
"1050837"	117.060226	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2H"	2.014552
"210355"	155.744542666667	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+3H"	3.021828
"646634"	233.113176	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+3H"	3.021828
"1168039"	78.3759093333333	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+3H"	3.021828
"428030"	482.245623	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+NH4"	18.033823
"793398"	714.351523	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+NH4"	18.033823
"1687542"	250.139723	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+NH4"	18.033823
"338007"	241.6264495	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+H+NH4"	19.041099
"730430"	357.6793995	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+H+NH4"	19.041099
"1485343"	125.5734995	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H+NH4"	19.041099
"404022"	487.201018	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+Na"	22.989218
"762829"	719.306918	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+Na"	22.989218
"1613112"	255.095118	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Na"	22.989218
"325335"	244.104147	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+H+Na"	23.996494
"719580"	360.157097	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+H+Na"	23.996494
"1470486"	128.051197	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H+Na"	23.996494
"1060451"	85.7032233333333	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2H+Na"	25.00377
"1261036"	265.139386	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+CH3OH+H"	33.033486
"381805"	503.174958	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+K"	38.963158
"746082"	735.280858	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+K"	38.963158
"1543761"	271.069058	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+K"	38.963158
"304218"	252.091117	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+H+K"	39.970434
"698827"	368.144067	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+H+K"	39.970434
"1450458"	136.038167	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H+K"	39.970434
"246724"	506.245626	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+ACN+H"	42.033826
"1218338"	274.139726	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+ACN+H"	42.033826
"1204410"	137.573501	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+ACN+2H"	43.041102
"197280"	509.18296	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+2Na-H"	44.97116
"639027"	741.28886	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+2Na-H"	44.97116
"1140346"	277.07706	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2Na-H"	44.97116
"182544"	255.095118	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+2Na"	45.978436
"617729"	371.148068	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+2Na"	45.978436
"1124516"	139.042168	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2Na"	45.978436
"1406946"	93.0305373333333	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H+2Na"	46.985712
"1443437"	279.118646	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H+HCOOH"	47.012746
"234593"	260.12814	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+3H2O+2H"	56.04448
"1521198"	293.17069	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+IsoProp+H"	61.06479
"422706"	263.082088	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+Na+K"	61.952376
"785551"	379.135038	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+Na+K"	61.952376
"1676756"	147.029138	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Na+K"	61.952376
"264730"	528.227568	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+ACN+Na"	64.015768
"1238532"	296.121668	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+ACN+Na"	64.015768
"1727417"	296.145193	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+NH4+HCOOH"	64.039293
"1192771"	100.357851333333	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+3Na"	68.967654
"1661570"	301.100588	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Na+HCOOH"	68.994688
"165151"	541.13084	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+2K-H"	76.91904
"604710"	773.23674	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+2K-H"	76.91904
"1088131"	309.02494	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2K-H"	76.91904
"147133"	271.069058	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"2M+2K"	77.926316
"586695"	387.122008	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"3M+2K"	77.926316
"1073392"	155.016108	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2K"	77.926316
"1104421"	311.039492	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2K+H"	78.933592
"1338982"	311.127107	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+DMSO+H"	79.021207
"1009335"	315.166276	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2ACN+H"	83.060376
"1531835"	316.159908	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+IsoProp+Na+H"	84.054008
"991720"	158.086776	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+2ACN+2H"	84.067652
"1592789"	317.074528	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+K+HCOOH"	84.968628
"1426105"	347.106038	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+H+CF3COOH"	115.000138
"1157491"	178.600051	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+3ACN+2H"	125.094202
"1710324"	364.132585	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+NH4+CF3COOH"	132.026685
"1648160"	369.08798	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+Na+CF3COOH"	136.98208
"1584903"	385.06192	"C01410"	"Boc-Asn;N-alpha-Boc-L-asparagine"	"C9H16N2O5"	"232.1059"	"M+K+CF3COOH"	152.95602
"808706"	154.1358	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M"	0
"983333"	135.11741	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"63309"	101.749924	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"510042"	153.128524	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"885657"	50.371324	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"585"	153.128524	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"444885"	230.196424	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"820505"	76.060624	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"78951"	307.264324	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"525526"	461.400124	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"898953"	153.128524	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"49317"	324.290871	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"488027"	478.426671	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"865951"	170.155071	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"41873"	329.246266	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"475966"	483.382066	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"853768"	175.110466	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1626582"	175.110466	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"107486"	171.116863	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"545953"	248.184763	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"940198"	94.048963	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"276935"	343.241002	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"671543"	497.376802	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1281758"	189.105202	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"29420"	345.220206	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468981"	499.356006	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"844960"	191.084406	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1568087"	191.084406	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"955607"	199.133994	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"373822"	353.269801	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"356249"	367.285451	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1502530"	213.149651	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"968977"	221.115951	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"116065"	189.105202	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"556718"	266.173102	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1029890"	112.037302	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1248377"	233.054685	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1319346"	235.110672	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1334048"	257.092629	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"924861"	267.121386	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1302906"	303.098064	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1382282"	119.123124	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1397959"	137.1331	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"298410"	309.278876	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"691077"	463.414676	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1363493"	155.143076	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"136380"	155.143076	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"579225"	232.210976	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1050222"	78.075176	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"211559"	103.764476	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"653308"	155.143076	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1170339"	52.385876	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"432516"	326.305423	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"796791"	480.441223	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1693121"	172.169623	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"339942"	163.6563495	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"731633"	240.7242495	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1487640"	86.5884495	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"405225"	331.260818	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"765126"	485.396618	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616502"	177.125018	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"324352"	166.134047	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"712399"	243.201947	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1468410"	89.066147	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1060560"	59.71319	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1262240"	187.169286	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"381182"	347.234758	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"746191"	501.370558	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1542776"	193.098958	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"301045"	174.121017	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"694561"	251.188917	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1445947"	97.053117	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"246834"	350.305426	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1219542"	196.169626	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1203426"	98.588451	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"195202"	353.24276	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"635855"	507.37856	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1137176"	199.10696	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"182654"	177.125018	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"618201"	254.192918	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1124626"	100.057118	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1400858"	67.040504	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1443547"	201.148546	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"231055"	182.15804	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1523249"	215.20059	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422086"	185.111988	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"785609"	262.179888	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1676866"	108.044088	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265205"	372.287368	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1235361"	218.151568	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1724247"	218.175093	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1190694"	74.367818	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1660586"	223.130488	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"166354"	385.19064	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"607007"	539.32644	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1085324"	231.05484	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"149430"	193.098958	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"583887"	270.166858	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1071315"	116.031058	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1105624"	233.069392	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1339821"	233.157007	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1007622"	237.196176	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1534132"	238.189808	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"991830"	119.101726	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1592899"	239.104428	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1426215"	269.135938	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1156508"	139.615001	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1710434"	286.162485	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1649363"	291.11788	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1585013"	307.09182	"C01411"	"Borneol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"805536"	72.0575	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M"	0
"982350"	53.03911	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-H2O-H"	-19.01839
"63014"	47.0310573333333	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M-3H"	-3.021828
"509060"	71.050224	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M-3H"	-3.021828
"884675"	23.0118906666667	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-3H"	-3.021828
"14"	71.050224	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M-2H"	-2.014552
"441716"	107.078974	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M-2H"	-2.014552
"820615"	35.021474	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-2H"	-2.014552
"78900"	143.107724	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M-H"	-1.007276
"518944"	215.165224	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M-H"	-1.007276
"897351"	71.050224	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-H"	-1.007276
"47597"	160.134271	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M-2H+NH4"	16.019271
"488137"	232.191771	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M-2H+NH4"	16.019271
"865455"	88.076771	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-2H+NH4"	16.019271
"31540"	165.089666	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M-2H+Na"	20.974666
"471480"	237.147166	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M-2H+Na"	20.974666
"849056"	93.032166	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-2H+Na"	20.974666
"1621225"	93.032166	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Na-2H"	20.974666
"104316"	89.038563	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M-H+Cl"	33.962126
"542782"	125.067313	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M-H+Cl"	33.962126
"937391"	53.009813	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-H+Cl"	33.962126
"277045"	179.084402	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+Cl"	34.969402
"669466"	251.141902	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+Cl"	34.969402
"1281868"	107.026902	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Cl"	34.969402
"29894"	181.063606	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M-2H+K"	36.948606
"468362"	253.121106	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M-2H+K"	36.948606
"845070"	109.006106	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-2H+K"	36.948606
"1569290"	109.006106	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+K-2H"	36.948606
"956080"	117.055694	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-H+HCOOH"	44.998194
"373567"	189.113201	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+HCOOH-H"	44.998201
"358182"	203.128851	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+Hac-H"	59.013851
"1503369"	131.071351	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Hac-H"	59.013851
"968358"	139.037651	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-H+NaCOOH"	66.980151
"117267"	107.026902	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+2Cl"	69.938804
"552455"	143.055652	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+2Cl"	69.938804
"1029999"	70.998152	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2Cl"	69.938804
"1243018"	150.976385	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Br"	78.918885
"1308021"	153.032372	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Cl+HCOOH"	80.974872
"1330627"	175.014329	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Cl+NaCOOH"	102.956829
"926309"	185.043086	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M-H+CF3COOH"	112.985586
"1303380"	221.019764	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Cl+CF3COOH"	148.962264
"1379838"	37.044824	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H-2H2O"	-35.012676
"1396240"	55.0548	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H-H2O"	-17.0027
"294833"	145.122276	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+H"	1.007276
"690050"	217.179776	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+H"	1.007276
"1361417"	73.064776	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H"	1.007276
"135398"	73.064776	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+2H"	2.014552
"579335"	109.093526	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+2H"	2.014552
"1052399"	37.036026	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2H"	2.014552
"218841"	49.0456093333333	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+3H"	3.021828
"658158"	73.064776	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+3H"	3.021828
"1175188"	25.0264426666667	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+3H"	3.021828
"434814"	162.148823	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+NH4"	18.033823
"796901"	234.206323	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+NH4"	18.033823
"1691044"	90.091323	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+NH4"	18.033823
"341510"	81.5780495	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+H+NH4"	19.041099
"731743"	117.6067995	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+H+NH4"	19.041099
"1487750"	45.5492995	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H+NH4"	19.041099
"406065"	167.104218	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+Na"	22.989218
"765236"	239.161718	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+Na"	22.989218
"1615519"	95.046718	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Na"	22.989218
"322275"	84.055747	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+H+Na"	23.996494
"712509"	120.084497	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+H+Na"	23.996494
"1469613"	48.026997	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H+Na"	23.996494
"1060670"	32.3537566666667	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2H+Na"	25.00377
"1263444"	105.090986	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+CH3OH+H"	33.033486
"379106"	183.078158	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+K"	38.963158
"743021"	255.135658	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+K"	38.963158
"1541793"	111.020658	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+K"	38.963158
"300060"	92.042717	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+H+K"	39.970434
"692847"	128.071467	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+H+K"	39.970434
"1445934"	56.013967	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H+K"	39.970434
"246944"	186.148826	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+ACN+H"	42.033826
"1219652"	114.091326	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+ACN+H"	42.033826
"1203536"	57.549301	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+ACN+2H"	43.041102
"195312"	189.08616	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+2Na-H"	44.97116
"635965"	261.14366	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+2Na-H"	44.97116
"1138379"	117.02866	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2Na-H"	44.97116
"180577"	95.046718	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+2Na"	45.978436
"618311"	131.075468	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+2Na"	45.978436
"1121820"	59.017968	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2Na"	45.978436
"1401696"	39.6810706666667	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H+2Na"	46.985712
"1443657"	119.070246	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H+HCOOH"	47.012746
"230072"	100.07974	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+3H2O+2H"	56.04448
"1519228"	133.12229	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+IsoProp+H"	61.06479
"421100"	103.033688	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+Na+K"	61.952376
"781003"	139.062438	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+Na+K"	61.952376
"1678433"	67.004938	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Na+K"	61.952376
"262764"	208.130768	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+ACN+Na"	64.015768
"1235471"	136.073268	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+ACN+Na"	64.015768
"1722170"	136.096793	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+NH4+HCOOH"	64.039293
"1190804"	47.0083846666667	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+3Na"	68.967654
"1658509"	141.052188	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Na+HCOOH"	68.994688
"166464"	221.03404	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+2K-H"	76.91904
"601650"	293.09154	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+2K-H"	76.91904
"1085069"	148.97654	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2K-H"	76.91904
"149540"	111.020658	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"2M+2K"	77.926316
"583997"	147.049408	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"3M+2K"	77.926316
"1070087"	74.991908	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2K"	77.926316
"1104641"	150.991092	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2K+H"	78.933592
"1338838"	151.078707	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+DMSO+H"	79.021207
"1006760"	155.117876	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2ACN+H"	83.060376
"1533149"	156.111508	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+IsoProp+Na+H"	84.054008
"991940"	78.062576	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+2ACN+2H"	84.067652
"1595196"	157.026128	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+K+HCOOH"	84.968628
"1425232"	187.057638	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+H+CF3COOH"	115.000138
"1157711"	98.575851	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+3ACN+2H"	125.094202
"1709451"	204.084185	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+NH4+CF3COOH"	132.026685
"1649719"	209.03958	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+Na+CF3COOH"	136.98208
"1585123"	225.01352	"C01412"	"Butanal;Butyraldehyde"	"C4H8O"	"72.0575"	"M+K+CF3COOH"	152.95602
"805646"	113.9034	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M"	0
"982460"	94.88501	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-H2O-H"	-19.01839
"63449"	74.928324	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M-3H"	-3.021828
"509170"	112.896124	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M-3H"	-3.021828
"885878"	36.960524	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-3H"	-3.021828
"521"	112.896124	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M-2H"	-2.014552
"440852"	169.847824	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M-2H"	-2.014552
"820725"	55.944424	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-2H"	-2.014552
"79620"	226.799524	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M-H"	-1.007276
"518605"	340.702924	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M-H"	-1.007276
"898073"	112.896124	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-H"	-1.007276
"47464"	243.826071	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M-2H+NH4"	16.019271
"487431"	357.729471	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M-2H+NH4"	16.019271
"864223"	129.922671	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-2H+NH4"	16.019271
"33465"	248.781466	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M-2H+Na"	20.974666
"472050"	362.684866	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M-2H+Na"	20.974666
"848520"	134.878066	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-2H+Na"	20.974666
"1619144"	134.878066	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Na-2H"	20.974666
"94947"	130.884463	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M-H+Cl"	33.962126
"537425"	187.836163	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M-H+Cl"	33.962126
"936407"	73.932763	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-H+Cl"	33.962126
"277516"	262.776202	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+Cl"	34.969402
"668117"	376.679602	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+Cl"	34.969402
"1278698"	148.872802	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Cl"	34.969402
"24536"	264.755406	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M-2H+K"	36.948606
"469201"	378.658806	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M-2H+K"	36.948606
"844815"	150.852006	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-2H+K"	36.948606
"1569764"	150.852006	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+K-2H"	36.948606
"957284"	158.901594	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-H+HCOOH"	44.998194
"373678"	272.805001	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+HCOOH-H"	44.998201
"360114"	286.820651	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+Hac-H"	59.013851
"1504572"	172.917251	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Hac-H"	59.013851
"968835"	180.883551	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-H+NaCOOH"	66.980151
"117379"	148.872802	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+2Cl"	69.938804
"552563"	205.824502	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+2Cl"	69.938804
"1030111"	91.921102	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2Cl"	69.938804
"1245316"	192.822285	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Br"	78.918885
"1308860"	194.878272	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Cl+HCOOH"	80.974872
"1329644"	216.860229	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Cl+NaCOOH"	102.956829
"926416"	226.888986	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M-H+CF3COOH"	112.985586
"1302515"	262.865664	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Cl+CF3COOH"	148.962264
"1378854"	78.890724	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H-2H2O"	-35.012676
"1396350"	96.9007	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H-H2O"	-17.0027
"293847"	228.814076	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+H"	1.007276
"686269"	342.717476	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+H"	1.007276
"1361527"	114.910676	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H"	1.007276
"132228"	114.910676	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+2H"	2.014552
"580296"	171.862376	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+2H"	2.014552
"1051906"	57.958976	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2H"	2.014552
"219846"	76.942876	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+3H"	3.021828
"658270"	114.910676	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+3H"	3.021828
"1172745"	38.975076	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+3H"	3.021828
"434924"	245.840623	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+NH4"	18.033823
"797011"	359.744023	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+NH4"	18.033823
"1690061"	131.937223	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+NH4"	18.033823
"342349"	123.4239495	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+H+NH4"	19.041099
"733676"	180.3756495	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+H+NH4"	19.041099
"1491386"	66.4722495	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H+NH4"	19.041099
"406906"	250.796018	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+Na"	22.989218
"766442"	364.699418	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+Na"	22.989218
"1615632"	136.892618	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Na"	22.989218
"326762"	125.901647	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+H+Na"	23.996494
"719183"	182.853347	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+H+Na"	23.996494
"1473003"	68.949947	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H+Na"	23.996494
"1064060"	46.30239	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2H+Na"	25.00377
"1264647"	146.936886	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+CH3OH+H"	33.033486
"378486"	266.769958	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+K"	38.963158
"743131"	380.673358	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+K"	38.963158
"1541902"	152.866558	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+K"	38.963158
"300168"	133.888617	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+H+K"	39.970434
"692592"	190.840317	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+H+K"	39.970434
"1445924"	76.936917	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H+K"	39.970434
"248147"	269.840626	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+ACN+H"	42.033826
"1221948"	155.937226	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+ACN+H"	42.033826
"1203646"	78.472251	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+ACN+2H"	43.041102
"193596"	272.77796	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+2Na-H"	44.97116
"637168"	386.68136	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+2Na-H"	44.97116
"1138489"	158.87456	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2Na-H"	44.97116
"178500"	136.892618	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+2Na"	45.978436
"619515"	193.844318	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+2Na"	45.978436
"1122659"	79.940918	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2Na"	45.978436
"1401808"	53.629704	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H+2Na"	46.985712
"1443767"	160.916146	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H+HCOOH"	47.012746
"232369"	141.92564	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+3H2O+2H"	56.04448
"1519339"	174.96819	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+IsoProp+H"	61.06479
"423643"	144.879588	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+Na+K"	61.952376
"784880"	201.831288	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+Na+K"	61.952376
"1679636"	87.927888	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Na+K"	61.952376
"263967"	291.822568	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+ACN+Na"	64.015768
"1235581"	177.919168	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+ACN+Na"	64.015768
"1722280"	177.942693	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+NH4+HCOOH"	64.039293
"1192008"	60.957018	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+3Na"	68.967654
"1661899"	182.898088	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Na+HCOOH"	68.994688
"166574"	304.72584	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+2K-H"	76.91904
"602853"	418.62924	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+2K-H"	76.91904
"1086274"	190.82244	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2K-H"	76.91904
"149650"	152.866558	"C01413"	"Cadmium"	"Cd"	"113.9034"	"2M+2K"	77.926316
"584837"	209.818258	"C01413"	"Cadmium"	"Cd"	"113.9034"	"3M+2K"	77.926316
"1069709"	95.914858	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2K"	77.926316
"1101098"	192.836992	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2K+H"	78.933592
"1340037"	192.924607	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+DMSO+H"	79.021207
"1008566"	196.963776	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2ACN+H"	83.060376
"1526691"	197.957408	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+IsoProp+Na+H"	84.054008
"991321"	98.985526	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+2ACN+2H"	84.067652
"1593119"	198.872028	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+K+HCOOH"	84.968628
"1426435"	228.903538	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+H+CF3COOH"	115.000138
"1161467"	119.498801	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+3ACN+2H"	125.094202
"1710655"	245.930085	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+NH4+CF3COOH"	132.026685
"1649747"	250.88548	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+Na+CF3COOH"	136.98208
"1585233"	266.85942	"C01413"	"Cadmium"	"Cd"	"113.9034"	"M+K+CF3COOH"	152.95602
"805756"	272.2504	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M"	0
"982570"	253.23201	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"64248"	180.492990666667	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"510373"	271.243124	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"884895"	89.7428573333333	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"1281"	271.243124	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"443027"	407.368324	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"818648"	135.117924	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"80823"	543.493524	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"520381"	815.743924	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"900369"	271.243124	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"49277"	560.520071	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"492118"	832.770471	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"866641"	288.269671	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"37819"	565.475466	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"475195"	837.725866	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"850816"	293.225066	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1621442"	293.225066	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"94606"	289.231463	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"535829"	425.356663	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"929953"	153.106263	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"268512"	579.470202	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"666400"	851.720602	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1274188"	307.219802	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"22459"	581.449406	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"464935"	853.699806	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"844196"	309.199006	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1563310"	309.199006	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"956662"	317.248594	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"374514"	589.499001	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"358398"	603.514651	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1505773"	331.264251	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"970403"	339.230551	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"120767"	307.219802	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"558140"	443.345002	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1029127"	171.094602	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1246518"	351.169285	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1305686"	353.225272	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1323190"	375.207229	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"926404"	385.235986	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1301895"	421.212664	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1378963"	237.237724	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1394272"	255.2477	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"292863"	545.508076	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"685286"	817.758476	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1361634"	273.257676	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H"	1.007276
"132338"	273.257676	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"580527"	409.382876	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1051651"	137.132476	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"217357"	182.507542666667	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"656555"	273.257676	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1175044"	91.7574093333333	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"435034"	562.534623	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"792748"	834.785023	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1689078"	290.284223	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"342459"	281.7709495	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"734879"	417.8961495	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1490766"	145.6457495	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"404100"	567.490018	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"763272"	839.740418	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1615742"	295.239618	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"327723"	284.248647	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"720385"	420.373847	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1474933"	148.123447	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1061982"	99.0847233333333	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1262570"	305.283886	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"380054"	583.463958	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"742148"	855.714358	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1542012"	311.213558	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+K"	38.963158
"301374"	292.235617	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"694891"	428.360817	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1446523"	156.110417	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"247164"	586.534626	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1220965"	314.284226	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1202663"	157.645751	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"194436"	589.47196	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"638371"	861.72236	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1136044"	317.22156	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"177517"	295.239618	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"617803"	431.364818	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1121676"	159.114418	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1404105"	106.412037333333	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1443635"	319.263146	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"232480"	300.27264	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1519449"	333.31519	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"423266"	303.226588	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"784139"	439.351788	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1676466"	167.101388	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"261891"	608.516568	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1235692"	336.266168	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1719110"	336.289693	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1186651"	113.739351333333	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1658730"	341.245088	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"166684"	621.41984	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"604057"	893.67024	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1091852"	349.16944	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"146481"	311.213558	"C01414"	"Casbene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"583124"	447.338758	"C01414"	"Casbene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1069820"	175.088358	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1101937"	351.183992	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1336867"	351.271607	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1006731"	355.310776	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1528987"	356.304408	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"990337"	178.159026	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1593229"	357.219028	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1425452"	387.250538	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1160120"	198.672301	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1709672"	404.277085	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1649330"	409.23248	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1585343"	425.20642	"C01414"	"Casbene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"805866"	303.1471	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M"	0
"979400"	284.12871	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-H2O-H"	-19.01839
"63990"	201.090790666667	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M-3H"	-3.021828
"509389"	302.139824	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M-3H"	-3.021828
"883911"	100.041757333333	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-3H"	-3.021828
"2485"	302.139824	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M-2H"	-2.014552
"441193"	453.713374	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M-2H"	-2.014552
"819851"	150.566274	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-2H"	-2.014552
"79474"	605.286924	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M-H"	-1.007276
"518568"	908.434024	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M-H"	-1.007276
"895982"	302.139824	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-H"	-1.007276
"47809"	622.313471	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M-2H+NH4"	16.019271
"491137"	925.460571	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M-2H+NH4"	16.019271
"864926"	319.166371	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-2H+NH4"	16.019271
"34649"	627.268866	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M-2H+Na"	20.974666
"476398"	930.415966	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M-2H+Na"	20.974666
"850921"	324.121766	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-2H+Na"	20.974666
"1622645"	324.121766	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Na-2H"	20.974666
"95283"	320.128163	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M-H+Cl"	33.962126
"539826"	471.701713	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M-H+Cl"	33.962126
"932250"	168.554613	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-H+Cl"	33.962126
"268376"	641.263602	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+Cl"	34.969402
"660676"	944.410702	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+Cl"	34.969402
"1277092"	338.116502	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Cl"	34.969402
"19288"	643.242806	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M-2H+K"	36.948606
"461034"	946.389906	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M-2H+K"	36.948606
"842848"	340.095706	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-2H+K"	36.948606
"1568523"	340.095706	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+K-2H"	36.948606
"956409"	348.145294	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-H+HCOOH"	44.998194
"374624"	651.292401	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+HCOOH-H"	44.998201
"358144"	665.308051	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+Hac-H"	59.013851
"1505883"	362.160951	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Hac-H"	59.013851
"970511"	370.127251	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-H+NaCOOH"	66.980151
"120514"	338.116502	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+2Cl"	69.938804
"561530"	489.690052	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+2Cl"	69.938804
"1029236"	186.542952	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2Cl"	69.938804
"1247721"	382.065985	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Br"	78.918885
"1305794"	384.121972	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Cl+HCOOH"	80.974872
"1324757"	406.103929	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Cl+NaCOOH"	102.956829
"926389"	416.132686	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M-H+CF3COOH"	112.985586
"1302005"	452.109364	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Cl+CF3COOH"	148.962264
"1380166"	268.134424	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H-2H2O"	-35.012676
"1397541"	286.1444	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H-H2O"	-17.0027
"295161"	607.301476	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+H"	1.007276
"687583"	910.448576	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+H"	1.007276
"1361744"	304.154376	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H"	1.007276
"136821"	304.154376	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+2H"	2.014552
"581130"	455.727926	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+2H"	2.014552
"1050299"	152.580826	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2H"	2.014552
"219287"	203.105342666667	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+3H"	3.021828
"657025"	304.154376	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+3H"	3.021828
"1172966"	102.056309333333	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+3H"	3.021828
"435143"	624.328023	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+NH4"	18.033823
"796135"	927.475123	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+NH4"	18.033823
"1693559"	321.180923	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+NH4"	18.033823
"337464"	312.6676495	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+H+NH4"	19.041099
"732072"	464.2411995	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+H+NH4"	19.041099
"1484800"	161.0940995	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H+NH4"	19.041099
"398014"	629.283418	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+Na"	22.989218
"761195"	932.430518	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+Na"	22.989218
"1609293"	326.136318	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Na"	22.989218
"319327"	315.145347	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+H+Na"	23.996494
"716123"	466.718897	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+H+Na"	23.996494
"1467753"	163.571797	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H+Na"	23.996494
"1063185"	109.383623333333	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2H+Na"	25.00377
"1261584"	336.180586	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+CH3OH+H"	33.033486
"380163"	645.257358	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+K"	38.963158
"744443"	948.404458	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+K"	38.963158
"1545401"	342.110258	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+K"	38.963158
"302578"	323.132317	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+H+K"	39.970434
"697184"	474.705867	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+H+K"	39.970434
"1448820"	171.558767	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H+K"	39.970434
"246181"	648.328026	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+ACN+H"	42.033826
"1221075"	345.180926	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+ACN+H"	42.033826
"1202774"	173.094101	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+ACN+2H"	43.041102
"192359"	651.26536	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+2Na-H"	44.97116
"635202"	954.41246	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+2Na-H"	44.97116
"1137614"	348.11826	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2Na-H"	44.97116
"178721"	326.136318	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+2Na"	45.978436
"616818"	477.709868	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+2Na"	45.978436
"1120693"	174.562768	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2Na"	45.978436
"1402393"	116.710937333333	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H+2Na"	46.985712
"1440707"	350.159846	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H+HCOOH"	47.012746
"228216"	331.16934	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+3H2O+2H"	56.04448
"1520653"	364.21189	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+IsoProp+H"	61.06479
"420338"	334.123288	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+Na+K"	61.952376
"779145"	485.696838	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+Na+K"	61.952376
"1676575"	182.549738	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Na+K"	61.952376
"260906"	670.309968	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+ACN+Na"	64.015768
"1233614"	367.162868	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+ACN+Na"	64.015768
"1715939"	367.186393	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+NH4+HCOOH"	64.039293
"1184574"	124.038251333333	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+3Na"	68.967654
"1652644"	372.141788	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Na+HCOOH"	68.994688
"164606"	683.21324	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+2K-H"	76.91904
"601979"	986.36034	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+2K-H"	76.91904
"1091962"	380.06614	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2K-H"	76.91904
"146591"	342.110258	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"2M+2K"	77.926316
"582138"	493.683808	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"3M+2K"	77.926316
"1068877"	190.536708	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2K"	77.926316
"1100588"	382.080692	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2K+H"	78.933592
"1336732"	382.168307	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+DMSO+H"	79.021207
"1007326"	386.207476	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2ACN+H"	83.060376
"1526911"	387.201108	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+IsoProp+Na+H"	84.054008
"989969"	193.607376	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+2ACN+2H"	84.067652
"1593339"	388.115728	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+K+HCOOH"	84.968628
"1426655"	418.147238	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+H+CF3COOH"	115.000138
"1162664"	214.120651	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+3ACN+2H"	125.094202
"1712334"	435.173785	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+NH4+CF3COOH"	132.026685
"1649682"	440.12918	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+Na+CF3COOH"	136.98208
"1585453"	456.10312	"C01416"	"Cocaine;l-Cocain;beta-Cocain"	"C17H21NO4"	"303.1471"	"M+K+CF3COOH"	152.95602
"807069"	43.0058	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M"	0
"979510"	23.98741	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-H2O-H"	-19.01839
"64464"	27.6632573333333	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M-3H"	-3.021828
"507313"	41.998524	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M-3H"	-3.021828
"885114"	13.3279906666667	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-3H"	-3.021828
"2595"	41.998524	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M-2H"	-2.014552
"442155"	63.501424	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M-2H"	-2.014552
"817896"	20.495624	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-2H"	-2.014552
"80313"	85.004324	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M-H"	-1.007276
"519628"	128.010124	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M-H"	-1.007276
"896577"	41.998524	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-H"	-1.007276
"48283"	102.030871	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M-2H+NH4"	16.019271
"493434"	145.036671	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M-2H+NH4"	16.019271
"865401"	59.025071	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-2H+NH4"	16.019271
"34757"	106.986266	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M-2H+Na"	20.974666
"474322"	149.992066	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M-2H+Na"	20.974666
"849209"	63.980466	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-2H+Na"	20.974666
"1619835"	63.980466	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Na-2H"	20.974666
"95636"	59.986863	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M-H+Cl"	33.962126
"535926"	81.489763	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M-H+Cl"	33.962126
"929078"	38.483963	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-H+Cl"	33.962126
"268725"	120.981002	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+Cl"	34.969402
"661514"	163.986802	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+Cl"	34.969402
"1274767"	77.975202	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Cl"	34.969402
"18302"	122.960206	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M-2H+K"	36.948606
"462238"	165.966006	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M-2H+K"	36.948606
"841135"	79.954406	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-2H+K"	36.948606
"1570708"	79.954406	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+K-2H"	36.948606
"957251"	88.003994	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-H+HCOOH"	44.998194
"376194"	131.009801	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+HCOOH-H"	44.998201
"359713"	145.025451	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+Hac-H"	59.013851
"1506358"	102.019651	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Hac-H"	59.013851
"969892"	109.985951	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-H+NaCOOH"	66.980151
"119895"	77.975202	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+2Cl"	69.938804
"553988"	99.478102	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+2Cl"	69.938804
"1023881"	56.472302	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2Cl"	69.938804
"1243461"	121.924685	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Br"	78.918885
"1304935"	123.980672	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Cl+HCOOH"	80.974872
"1324503"	145.962629	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Cl+NaCOOH"	102.956829
"924313"	155.991386	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M-H+CF3COOH"	112.985586
"1301022"	191.968064	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Cl+CF3COOH"	148.962264
"1381371"	7.993124	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H-2H2O"	-35.012676
"1395585"	26.0031	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H-H2O"	-17.0027
"297944"	87.018876	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+H"	1.007276
"683318"	130.024676	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+H"	1.007276
"1359667"	44.013076	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H"	1.007276
"135837"	44.013076	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+2H"	2.014552
"580141"	65.515976	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+2H"	2.014552
"1051137"	22.510176	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2H"	2.014552
"219033"	29.6778093333333	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+3H"	3.021828
"657135"	44.013076	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+3H"	3.021828
"1174169"	15.3425426666667	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+3H"	3.021828
"435254"	104.045423	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+NH4"	18.033823
"795152"	147.051223	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+NH4"	18.033823
"1691482"	61.039623	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+NH4"	18.033823
"338667"	52.5263495	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+H+NH4"	19.041099
"734369"	74.0292495	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+H+NH4"	19.041099
"1483816"	31.0234495	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H+NH4"	19.041099
"395573"	109.000818	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+Na"	22.989218
"759119"	152.006618	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+Na"	22.989218
"1608310"	65.995018	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Na"	22.989218
"323811"	55.004047	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+H+Na"	23.996494
"716232"	76.506947	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+H+Na"	23.996494
"1470051"	33.501147	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H+Na"	23.996494
"1058922"	22.6698566666667	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2H+Na"	25.00377
"1258779"	76.039286	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+CH3OH+H"	33.033486
"377963"	124.974758	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+K"	38.963158
"743459"	167.980558	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+K"	38.963158
"1544416"	81.968958	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+K"	38.963158
"302689"	62.991017	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+H+K"	39.970434
"696201"	84.493917	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+H+K"	39.970434
"1452209"	41.488117	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H+K"	39.970434
"247020"	128.045426	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+ACN+H"	42.033826
"1221185"	85.039626	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+ACN+H"	42.033826
"1205070"	43.023451	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+ACN+2H"	43.041102
"192105"	130.98276	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+2Na-H"	44.97116
"634219"	173.98856	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+2Na-H"	44.97116
"1137724"	87.97696	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2Na-H"	44.97116
"178831"	65.995018	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+2Na"	45.978436
"616564"	87.497918	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+2Na"	45.978436
"1121167"	44.492118	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2Na"	45.978436
"1402503"	29.9971706666667	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H+2Na"	46.985712
"1440818"	90.018546	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H+HCOOH"	47.012746
"231606"	71.02804	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+3H2O+2H"	56.04448
"1520763"	104.07059	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+IsoProp+H"	61.06479
"418262"	73.981988	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+Na+K"	61.952376
"780348"	95.484888	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+Na+K"	61.952376
"1677778"	52.479088	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Na+K"	61.952376
"262109"	150.027368	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+ACN+Na"	64.015768
"1232996"	107.021568	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+ACN+Na"	64.015768
"1717508"	107.045093	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+NH4+HCOOH"	64.039293
"1186143"	37.3244846666667	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+3Na"	68.967654
"1660044"	112.000488	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Na+HCOOH"	68.994688
"169091"	162.93064	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+2K-H"	76.91904
"604277"	205.93644	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+2K-H"	76.91904
"1092073"	119.92484	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2K-H"	76.91904
"144515"	81.968958	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"2M+2K"	77.926316
"582491"	103.471858	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"3M+2K"	77.926316
"1071501"	60.466058	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2K"	77.926316
"1101915"	121.939392	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2K+H"	78.933592
"1336474"	122.027007	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+DMSO+H"	79.021207
"1007803"	126.066176	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2ACN+H"	83.060376
"1527021"	127.059808	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+IsoProp+Na+H"	84.054008
"991157"	63.536726	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+2ACN+2H"	84.067652
"1593449"	127.974428	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+K+HCOOH"	84.968628
"1424579"	158.005938	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+H+CF3COOH"	115.000138
"1162412"	84.050001	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+3ACN+2H"	125.094202
"1708795"	175.032485	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+NH4+CF3COOH"	132.026685
"1649752"	179.98788	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+Na+CF3COOH"	136.98208
"1585563"	195.96182	"C01417"	"Cyanate;Cyanic acid"	"CHNO"	"43.0058"	"M+K+CF3COOH"	152.95602
"806086"	252.0958	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M"	0
"982900"	233.07741	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-H2O-H"	-19.01839
"65304"	167.056590666667	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M-3H"	-3.021828
"506330"	251.088524	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M-3H"	-3.021828
"883038"	83.0246573333333	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-3H"	-3.021828
"5985"	251.088524	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M-2H"	-2.014552
"442629"	377.136424	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M-2H"	-2.014552
"818370"	125.040624	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-2H"	-2.014552
"80304"	503.184324	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M-H"	-1.007276
"519740"	755.280124	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M-H"	-1.007276
"896571"	251.088524	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-H"	-1.007276
"48881"	520.210871	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M-2H+NH4"	16.019271
"495731"	772.306671	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M-2H+NH4"	16.019271
"865880"	268.115071	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-2H+NH4"	16.019271
"33414"	525.166266	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M-2H+Na"	20.974666
"475527"	777.262066	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M-2H+Na"	20.974666
"852235"	273.070466	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-2H+Na"	20.974666
"1619947"	273.070466	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Na-2H"	20.974666
"95502"	269.076863	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M-H+Cl"	33.962126
"535184"	395.124763	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M-H+Cl"	33.962126
"927971"	143.028963	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-H+Cl"	33.962126
"268108"	539.161002	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+Cl"	34.969402
"661745"	791.256802	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+Cl"	34.969402
"1273903"	287.065202	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Cl"	34.969402
"16341"	541.140206	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M-2H+K"	36.948606
"459796"	793.236006	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M-2H+K"	36.948606
"840152"	289.044406	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-2H+K"	36.948606
"1570980"	289.044406	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+K-2H"	36.948606
"957889"	297.093994	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-H+HCOOH"	44.998194
"375575"	549.189801	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+HCOOH-H"	44.998201
"360553"	563.205451	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+Hac-H"	59.013851
"1507562"	311.109651	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Hac-H"	59.013851
"968910"	319.075951	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-H+NaCOOH"	66.980151
"120005"	287.065202	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+2Cl"	69.938804
"559566"	413.113102	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+2Cl"	69.938804
"1029460"	161.017302	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2Cl"	69.938804
"1247944"	331.014685	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Br"	78.918885
"1308206"	333.070672	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Cl+HCOOH"	80.974872
"1324613"	355.052629	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Cl+NaCOOH"	102.956829
"925881"	365.081386	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M-H+CF3COOH"	112.985586
"1301132"	401.058064	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Cl+CF3COOH"	148.962264
"1380752"	217.083124	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H-2H2O"	-35.012676
"1395694"	235.0931	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H-H2O"	-17.0027
"297931"	505.198876	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+H"	1.007276
"684522"	757.294676	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+H"	1.007276
"1364151"	253.103076	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H"	1.007276
"133759"	253.103076	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+2H"	2.014552
"580821"	379.150976	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+2H"	2.014552
"1050883"	127.055176	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2H"	2.014552
"218779"	169.071142666667	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+3H"	3.021828
"658341"	253.103076	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+3H"	3.021828
"1174279"	85.0392093333333	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+3H"	3.021828
"435364"	522.225423	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+NH4"	18.033823
"795263"	774.321223	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+NH4"	18.033823
"1690499"	270.129623	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+NH4"	18.033823
"336590"	261.6163495	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+H+NH4"	19.041099
"731199"	387.6642495	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+H+NH4"	19.041099
"1487207"	135.5684495	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H+NH4"	19.041099
"395319"	527.180818	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+Na"	22.989218
"760321"	779.276618	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+Na"	22.989218
"1609515"	275.085018	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Na"	22.989218
"323921"	264.094047	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+H+Na"	23.996494
"716343"	390.141947	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+H+Na"	23.996494
"1471255"	138.046147	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H+Na"	23.996494
"1063407"	92.3665233333333	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2H+Na"	25.00377
"1261805"	285.129286	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+CH3OH+H"	33.033486
"377952"	543.154758	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+K"	38.963158
"741383"	795.250558	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+K"	38.963158
"1544526"	291.058958	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+K"	38.963158
"302798"	272.081017	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+H+K"	39.970434
"696311"	398.128917	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+H+K"	39.970434
"1451227"	146.033117	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H+K"	39.970434
"247491"	546.225426	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+ACN+H"	42.033826
"1222388"	294.129626	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+ACN+H"	42.033826
"1202993"	147.568451	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+ACN+2H"	43.041102
"193674"	549.16276	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+2Na-H"	44.97116
"632139"	801.25856	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+2Na-H"	44.97116
"1137834"	297.06696	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2Na-H"	44.97116
"180034"	275.085018	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+2Na"	45.978436
"615218"	401.132918	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+2Na"	45.978436
"1124193"	149.037118	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2Na"	45.978436
"1402613"	99.6938373333333	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H+2Na"	46.985712
"1437646"	299.108546	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H+HCOOH"	47.012746
"225154"	280.11804	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+3H2O+2H"	56.04448
"1515403"	313.16059	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+IsoProp+H"	61.06479
"417275"	283.071988	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+Na+K"	61.952376
"774987"	409.119888	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+Na+K"	61.952376
"1677886"	157.024088	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Na+K"	61.952376
"265499"	568.207368	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+ACN+Na"	64.015768
"1238209"	316.111568	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+ACN+Na"	64.015768
"1719805"	316.135093	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+NH4+HCOOH"	64.039293
"1185888"	107.021151333333	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+3Na"	68.967654
"1659059"	321.090488	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Na+HCOOH"	68.994688
"165920"	581.11064	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+2K-H"	76.91904
"602199"	833.20644	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+2K-H"	76.91904
"1088903"	329.01484	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2K-H"	76.91904
"142559"	291.058958	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"2M+2K"	77.926316
"582846"	417.106858	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"3M+2K"	77.926316
"1070634"	165.011058	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2K"	77.926316
"1102995"	331.029392	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2K+H"	78.933592
"1336830"	331.117007	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+DMSO+H"	79.021207
"1009006"	335.156176	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2ACN+H"	83.060376
"1526401"	336.149808	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+IsoProp+Na+H"	84.054008
"990299"	168.081726	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+2ACN+2H"	84.067652
"1591372"	337.064428	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+K+HCOOH"	84.968628
"1424688"	367.095938	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+H+CF3COOH"	115.000138
"1162037"	188.595001	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+3ACN+2H"	125.094202
"1708905"	384.122485	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+NH4+CF3COOH"	132.026685
"1649742"	389.07788	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+Na+CF3COOH"	136.98208
"1585673"	405.05182	"C01418"	"Cycasin"	"C8H16N2O7"	"252.0958"	"M+K+CF3COOH"	152.95602
"806196"	178.0412	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M"	0
"979730"	159.02281	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-H2O-H"	-19.01839
"66878"	117.686857333333	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M-3H"	-3.021828
"507533"	177.033924	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M-3H"	-3.021828
"884242"	58.3397906666667	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-3H"	-3.021828
"6095"	177.033924	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M-2H"	-2.014552
"443832"	266.054524	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M-2H"	-2.014552
"817630"	88.013324	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-2H"	-2.014552
"79807"	355.075124	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M-H"	-1.007276
"520092"	533.116324	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M-H"	-1.007276
"895704"	177.033924	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-H"	-1.007276
"47406"	372.101671	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M-2H+NH4"	16.019271
"488549"	550.142871	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M-2H+NH4"	16.019271
"864898"	194.060471	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-2H+NH4"	16.019271
"32799"	377.057066	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M-2H+Na"	20.974666
"472113"	555.098266	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M-2H+Na"	20.974666
"848734"	199.015866	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-2H+Na"	20.974666
"1618795"	199.015866	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Na-2H"	20.974666
"95495"	195.022263	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M-H+Cl"	33.962126
"536512"	284.042863	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M-H+Cl"	33.962126
"927349"	106.001663	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-H+Cl"	33.962126
"267855"	391.051802	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+Cl"	34.969402
"660515"	569.093002	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+Cl"	34.969402
"1272999"	213.010602	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Cl"	34.969402
"15883"	393.031006	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M-2H+K"	36.948606
"461363"	571.072206	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M-2H+K"	36.948606
"839531"	214.989806	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-2H+K"	36.948606
"1568855"	214.989806	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+K-2H"	36.948606
"956010"	223.039394	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-H+HCOOH"	44.998194
"375320"	401.080601	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+HCOOH-H"	44.998201
"358110"	415.096251	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+Hac-H"	59.013851
"1503661"	237.055051	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Hac-H"	59.013851
"971204"	245.021351	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-H+NaCOOH"	66.980151
"121936"	213.010602	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+2Cl"	69.938804
"558583"	302.031202	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+2Cl"	69.938804
"1029570"	123.990002	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2Cl"	69.938804
"1251335"	256.960085	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Br"	78.918885
"1310503"	259.016072	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Cl+HCOOH"	80.974872
"1333471"	280.998029	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Cl+NaCOOH"	102.956829
"924529"	291.026786	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M-H+CF3COOH"	112.985586
"1291394"	327.003464	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Cl+CF3COOH"	148.962264
"1380494"	143.028524	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H-2H2O"	-35.012676
"1396896"	161.0385	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H-H2O"	-17.0027
"296581"	357.089676	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+H"	1.007276
"688639"	535.130876	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+H"	1.007276
"1366082"	179.048476	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H"	1.007276
"139335"	179.048476	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+2H"	2.014552
"580844"	268.069076	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+2H"	2.014552
"1052199"	90.027876	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2H"	2.014552
"216699"	119.701409333333	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+3H"	3.021828
"656260"	179.048476	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+3H"	3.021828
"1175478"	60.3543426666667	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+3H"	3.021828
"438748"	374.116223	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+NH4"	18.033823
"800472"	552.157423	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+NH4"	18.033823
"1696076"	196.075023	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+NH4"	18.033823
"336700"	187.5617495	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+H+NH4"	19.041099
"732402"	276.5823495	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+H+NH4"	19.041099
"1487314"	98.5411495	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H+NH4"	19.041099
"401622"	379.071618	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+Na"	22.989218
"763708"	557.112818	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+Na"	22.989218
"1615089"	201.030418	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Na"	22.989218
"328162"	190.039447	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+H+Na"	23.996494
"717547"	279.060047	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+H+Na"	23.996494
"1472460"	101.018847	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H+Na"	23.996494
"1063517"	67.6816566666667	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2H+Na"	25.00377
"1263009"	211.074686	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+CH3OH+H"	33.033486
"377778"	395.045558	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+K"	38.963158
"740033"	573.086758	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+K"	38.963158
"1540262"	217.004358	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+K"	38.963158
"302908"	198.026417	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+H+K"	39.970434
"696421"	287.047017	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+H+K"	39.970434
"1449148"	109.005817	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H+K"	39.970434
"245415"	398.116226	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+ACN+H"	42.033826
"1217029"	220.075026	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+ACN+H"	42.033826
"1203102"	110.541151	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+ACN+2H"	43.041102
"191961"	401.05356	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+2Na-H"	44.97116
"631520"	579.09476	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+2Na-H"	44.97116
"1140130"	223.01236	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2Na-H"	44.97116
"176498"	201.030418	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+2Na"	45.978436
"615692"	290.051018	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+2Na"	45.978436
"1123573"	112.009818	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2Na"	45.978436
"1403816"	75.0089706666667	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H+2Na"	46.985712
"1437756"	225.053946	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H+HCOOH"	47.012746
"226357"	206.06344	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+3H2O+2H"	56.04448
"1514419"	239.10599	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+IsoProp+H"	61.06479
"416293"	209.017388	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+Na+K"	61.952376
"779111"	298.037988	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+Na+K"	61.952376
"1674715"	119.996788	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Na+K"	61.952376
"266340"	420.098168	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+ACN+Na"	64.015768
"1237227"	242.056968	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+ACN+Na"	64.015768
"1725749"	242.080493	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+NH4+HCOOH"	64.039293
"1191466"	82.3362846666667	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+3Na"	68.967654
"1655893"	247.035888	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Na+HCOOH"	68.994688
"170407"	433.00144	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+2K-H"	76.91904
"606686"	611.04264	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+2K-H"	76.91904
"1092294"	254.96024	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2K-H"	76.91904
"144737"	217.004358	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"2M+2K"	77.926316
"583200"	306.024958	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"3M+2K"	77.926316
"1070992"	127.983758	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2K"	77.926316
"1102378"	256.974792	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2K+H"	78.933592
"1336697"	257.062407	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+DMSO+H"	79.021207
"1007656"	261.101576	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2ACN+H"	83.060376
"1528339"	262.095208	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+IsoProp+Na+H"	84.054008
"990530"	131.054426	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+2ACN+2H"	84.067652
"1588442"	263.009828	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+K+HCOOH"	84.968628
"1424798"	293.041338	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+H+CF3COOH"	115.000138
"1162592"	151.567701	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+3ACN+2H"	125.094202
"1710108"	310.067885	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+NH4+CF3COOH"	132.026685
"1649771"	315.02328	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+Na+CF3COOH"	136.98208
"1585783"	330.99722	"C01419"	"Cys-Gly;L-Cysteinylglycine"	"C5H10N2O3S"	"178.0412"	"M+K+CF3COOH"	152.95602
"806306"	240.0238	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M"	0
"980933"	221.00541	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H2O-H"	-19.01839
"66988"	159.008590666667	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-3H"	-3.021828
"508736"	239.016524	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-3H"	-3.021828
"887632"	79.0006573333333	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-3H"	-3.021828
"6205"	239.016524	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H"	-2.014552
"443580"	359.028424	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H"	-2.014552
"817088"	119.004624	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H"	-2.014552
"78641"	479.040324	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-H"	-1.007276
"519108"	719.064124	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-H"	-1.007276
"895684"	239.016524	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H"	-1.007276
"47245"	496.066871	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H+NH4"	16.019271
"487524"	736.090671	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H+NH4"	16.019271
"864351"	256.043071	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H+NH4"	16.019271
"31622"	501.022266	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H+Na"	20.974666
"471504"	741.046066	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H+Na"	20.974666
"848640"	260.998466	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H+Na"	20.974666
"1618458"	260.998466	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na-2H"	20.974666
"94995"	257.004863	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-H+Cl"	33.962126
"534353"	377.016763	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-H+Cl"	33.962126
"927624"	136.992963	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+Cl"	33.962126
"267638"	515.017002	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Cl"	34.969402
"660260"	755.040802	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+Cl"	34.969402
"1273314"	274.993202	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl"	34.969402
"16602"	516.996206	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M-2H+K"	36.948606
"457338"	757.020006	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M-2H+K"	36.948606
"837085"	276.972406	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-2H+K"	36.948606
"1566049"	276.972406	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K-2H"	36.948606
"955027"	285.021994	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+HCOOH"	44.998194
"375066"	525.045801	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+HCOOH-H"	44.998201
"359314"	539.061451	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Hac-H"	59.013851
"1503772"	299.037651	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Hac-H"	59.013851
"971314"	307.003951	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+NaCOOH"	66.980151
"120952"	274.993202	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2Cl"	69.938804
"557599"	395.005102	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2Cl"	69.938804
"1029679"	154.981302	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2Cl"	69.938804
"1247071"	318.942685	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Br"	78.918885
"1308426"	320.998672	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl+HCOOH"	80.974872
"1330301"	342.980629	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl+NaCOOH"	102.956829
"921359"	353.009386	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M-H+CF3COOH"	112.985586
"1290775"	388.986064	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Cl+CF3COOH"	148.962264
"1379511"	205.011124	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H-2H2O"	-35.012676
"1395913"	223.0211	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H-H2O"	-17.0027
"296691"	481.054876	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H"	1.007276
"686927"	721.078676	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H"	1.007276
"1366516"	241.031076	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H"	1.007276
"137258"	241.031076	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2H"	2.014552
"580955"	361.042976	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2H"	2.014552
"1051089"	121.019176	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2H"	2.014552
"216809"	161.023142666667	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+3H"	3.021828
"656370"	241.031076	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+3H"	3.021828
"1173401"	81.0152093333333	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+3H"	3.021828
"434484"	498.081423	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+NH4"	18.033823
"799489"	738.105223	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+NH4"	18.033823
"1692906"	258.057623	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+NH4"	18.033823
"340088"	249.5443495	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H+NH4"	19.041099
"731420"	369.5562495	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H+NH4"	19.041099
"1485238"	129.5324495	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+NH4"	19.041099
"399546"	503.036818	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Na"	22.989218
"760540"	743.060618	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+Na"	22.989218
"1607544"	263.013018	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na"	22.989218
"324143"	252.022047	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H+Na"	23.996494
"715471"	372.033947	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H+Na"	23.996494
"1471476"	132.010147	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+Na"	23.996494
"1061440"	88.3425233333333	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2H+Na"	25.00377
"1260933"	273.057286	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+CH3OH+H"	33.033486
"377726"	519.010758	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+K"	38.963158
"739050"	759.034558	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+K"	38.963158
"1540200"	278.986958	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K"	38.963158
"300831"	260.009017	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+H+K"	39.970434
"691669"	380.020917	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+H+K"	39.970434
"1446466"	139.997117	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+K"	39.970434
"247711"	522.081426	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+ACN+H"	42.033826
"1217139"	282.057626	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+ACN+H"	42.033826
"1202118"	141.532451	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+ACN+2H"	43.041102
"190612"	525.01876	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2Na-H"	44.97116
"629438"	765.04256	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2Na-H"	44.97116
"1140240"	284.99496	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2Na-H"	44.97116
"177337"	263.013018	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2Na"	45.978436
"616531"	383.024918	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2Na"	45.978436
"1123319"	143.001118	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2Na"	45.978436
"1404655"	95.6698373333333	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+2Na"	46.985712
"1440054"	287.036546	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+HCOOH"	47.012746
"226468"	268.04604	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+3H2O+2H"	56.04448
"1516716"	301.08859	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+IsoProp+H"	61.06479
"418227"	270.999988	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+Na+K"	61.952376
"776306"	391.011888	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+Na+K"	61.952376
"1674825"	150.988088	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na+K"	61.952376
"264264"	544.063368	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+ACN+Na"	64.015768
"1237335"	304.039568	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+ACN+Na"	64.015768
"1720753"	304.063093	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+NH4+HCOOH"	64.039293
"1183921"	102.997151333333	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+3Na"	68.967654
"1661467"	309.018488	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na+HCOOH"	68.994688
"166141"	556.96664	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2K-H"	76.91904
"601326"	796.99044	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2K-H"	76.91904
"1088027"	316.94284	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2K-H"	76.91904
"142654"	278.986958	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"2M+2K"	77.926316
"581851"	398.998858	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"3M+2K"	77.926316
"1070369"	158.975058	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2K"	77.926316
"1101515"	318.957392	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2K+H"	78.933592
"1336689"	319.045007	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+DMSO+H"	79.021207
"1006307"	323.084176	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2ACN+H"	83.060376
"1528449"	324.077808	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+IsoProp+Na+H"	84.054008
"989948"	162.045726	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+2ACN+2H"	84.067652
"1587822"	324.992428	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K+HCOOH"	84.968628
"1424908"	355.023938	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+H+CF3COOH"	115.000138
"1162492"	182.559001	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+3ACN+2H"	125.094202
"1709125"	372.050485	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+NH4+CF3COOH"	132.026685
"1649150"	377.00588	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+Na+CF3COOH"	136.98208
"1585893"	392.97982	"C01420"	"Cystine;Dicysteine;alpha-Diamino-beta-dithiolactic acid"	"C6H12N2O4S2"	"240.0238"	"M+K+CF3COOH"	152.95602
"806416"	340.0794	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M"	0
"979950"	321.06101	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-H2O-H"	-19.01839
"67098"	225.712324	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M-3H"	-3.021828
"508846"	339.072124	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M-3H"	-3.021828
"887742"	112.352524	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-3H"	-3.021828
"6315"	339.072124	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M-2H"	-2.014552
"444783"	509.111824	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M-2H"	-2.014552
"817359"	169.032424	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-2H"	-2.014552
"79172"	679.151524	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M-H"	-1.007276
"519703"	1019.230924	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M-H"	-1.007276
"896165"	339.072124	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-H"	-1.007276
"47508"	696.178071	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M-2H+NH4"	16.019271
"487921"	1036.257471	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M-2H+NH4"	16.019271
"864750"	356.098671	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-2H+NH4"	16.019271
"31719"	701.133466	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M-2H+Na"	20.974666
"471683"	1041.212866	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M-2H+Na"	20.974666
"849122"	361.054066	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-2H+Na"	20.974666
"1619294"	361.054066	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Na-2H"	20.974666
"95105"	357.060463	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M-H+Cl"	33.962126
"534991"	527.100163	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M-H+Cl"	33.962126
"927817"	187.020763	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-H+Cl"	33.962126
"268804"	715.128202	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+Cl"	34.969402
"660613"	1055.207602	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+Cl"	34.969402
"1274360"	375.048802	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Cl"	34.969402
"19468"	717.107406	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M-2H+K"	36.948606
"455899"	1057.186806	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M-2H+K"	36.948606
"835372"	377.028006	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-2H+K"	36.948606
"1560691"	377.028006	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+K-2H"	36.948606
"949671"	385.077594	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-H+HCOOH"	44.998194
"367885"	725.157001	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+HCOOH-H"	44.998201
"351770"	739.172651	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+Hac-H"	59.013851
"1497321"	399.093251	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Hac-H"	59.013851
"964864"	407.059551	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-H+NaCOOH"	66.980151
"119240"	375.048802	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+2Cl"	69.938804
"562084"	545.088502	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+2Cl"	69.938804
"1028696"	205.009102	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2Cl"	69.938804
"1247181"	418.998285	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Br"	78.918885
"1308536"	421.054272	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Cl+HCOOH"	80.974872
"1334663"	443.036229	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Cl+NaCOOH"	102.956829
"922562"	453.064986	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M-H+CF3COOH"	112.985586
"1291614"	489.041664	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Cl+CF3COOH"	148.962264
"1379621"	305.066724	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H-2H2O"	-35.012676
"1394930"	323.0767	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H-H2O"	-17.0027
"297773"	681.166076	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+H"	1.007276
"689223"	1021.245476	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+H"	1.007276
"1365572"	341.086676	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H"	1.007276
"141140"	341.086676	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+2H"	2.014552
"579112"	511.126376	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+2H"	2.014552
"1049013"	171.046976	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2H"	2.014552
"218743"	227.726876	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+3H"	3.021828
"659929"	341.086676	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+3H"	3.021828
"1177157"	114.367076	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+3H"	3.021828
"435689"	698.192623	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+NH4"	18.033823
"800574"	1038.272023	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+NH4"	18.033823
"1695202"	358.113223	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+NH4"	18.033823
"343115"	349.5999495	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+H+NH4"	19.041099
"733718"	519.6396495	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+H+NH4"	19.041099
"1482069"	179.5602495	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H+NH4"	19.041099
"400749"	703.148018	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+Na"	22.989218
"756277"	1043.227418	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+Na"	22.989218
"1608748"	363.068618	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Na"	22.989218
"320972"	352.077647	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+H+Na"	23.996494
"715580"	522.117347	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+H+Na"	23.996494
"1473773"	182.037947	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H+Na"	23.996494
"1062643"	121.69439	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2H+Na"	25.00377
"1261042"	373.112886	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+CH3OH+H"	33.033486
"378893"	719.121958	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+K"	38.963158
"739523"	1059.201358	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+K"	38.963158
"1540962"	379.042558	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+K"	38.963158
"298874"	360.064617	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+H+K"	39.970434
"691898"	530.104317	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+H+K"	39.970434
"1446575"	190.024917	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H+K"	39.970434
"245634"	722.192626	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+ACN+H"	42.033826
"1218342"	382.113226	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+ACN+H"	42.033826
"1204414"	191.560251	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+ACN+2H"	43.041102
"190478"	725.12996	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+2Na-H"	44.97116
"630276"	1065.20936	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+2Na-H"	44.97116
"1135977"	385.05056	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2Na-H"	44.97116
"178176"	363.068618	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+2Na"	45.978436
"616641"	533.108318	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+2Na"	45.978436
"1121242"	193.028918	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2Na"	45.978436
"1404036"	129.021704	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H+2Na"	46.985712
"1441258"	387.092146	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H+HCOOH"	47.012746
"226578"	368.10164	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+3H2O+2H"	56.04448
"1517919"	401.14419	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+IsoProp+H"	61.06479
"416515"	371.055588	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+Na+K"	61.952376
"781880"	541.095288	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+Na+K"	61.952376
"1675664"	201.015888	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Na+K"	61.952376
"260002"	744.174568	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+ACN+Na"	64.015768
"1234165"	404.095168	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+ACN+Na"	64.015768
"1720863"	404.118693	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+NH4+HCOOH"	64.039293
"1188405"	136.349018	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+3Na"	68.967654
"1661212"	409.074088	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Na+HCOOH"	68.994688
"164063"	757.07784	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+2K-H"	76.91904
"602530"	1097.15724	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+2K-H"	76.91904
"1087407"	416.99844	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2K-H"	76.91904
"145314"	379.042558	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"2M+2K"	77.926316
"583538"	549.082258	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"3M+2K"	77.926316
"1069752"	209.002858	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2K"	77.926316
"1101625"	419.012992	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2K+H"	78.933592
"1335824"	419.100607	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+DMSO+H"	79.021207
"1006904"	423.139776	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2ACN+H"	83.060376
"1525762"	424.133408	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+IsoProp+Na+H"	84.054008
"990382"	212.073526	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+2ACN+2H"	84.067652
"1588783"	425.048028	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+K+HCOOH"	84.968628
"1425018"	455.079538	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+H+CF3COOH"	115.000138
"1161508"	232.586801	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+3ACN+2H"	125.094202
"1708142"	472.106085	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+NH4+CF3COOH"	132.026685
"1648167"	477.06148	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+Na+CF3COOH"	136.98208
"1586003"	493.03542	"C01421"	"Daphnin"	"C15H16O9"	"340.0794"	"M+K+CF3COOH"	152.95602
"815274"	170.0215	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M"	0
"980060"	151.00311	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-H2O-H"	-19.01839
"70489"	112.340390666667	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M-3H"	-3.021828
"510050"	169.014224	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M-3H"	-3.021828
"891132"	55.6665573333333	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-3H"	-3.021828
"14080"	169.014224	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M-2H"	-2.014552
"450361"	254.024974	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M-2H"	-2.014552
"818566"	84.003474	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-2H"	-2.014552
"80016"	339.035724	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M-H"	-1.007276
"519206"	509.057224	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M-H"	-1.007276
"898959"	169.014224	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-H"	-1.007276
"48591"	356.062271	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M-2H+NH4"	16.019271
"490708"	526.083771	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M-2H+NH4"	16.019271
"868510"	186.040771	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-2H+NH4"	16.019271
"37504"	361.017666	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M-2H+Na"	20.974666
"471666"	531.039166	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M-2H+Na"	20.974666
"850492"	190.996166	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-2H+Na"	20.974666
"1620146"	190.996166	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Na-2H"	20.974666
"99840"	187.002563	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M-H+Cl"	33.962126
"538669"	272.013313	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M-H+Cl"	33.962126
"929996"	101.991813	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-H+Cl"	33.962126
"270740"	375.012402	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+Cl"	34.969402
"664619"	545.033902	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+Cl"	34.969402
"1280304"	204.990902	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Cl"	34.969402
"20673"	376.991606	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M-2H+K"	36.948606
"458410"	547.013106	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M-2H+K"	36.948606
"840225"	206.970106	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-2H+K"	36.948606
"1567363"	206.970106	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+K-2H"	36.948606
"953062"	215.019694	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-H+HCOOH"	44.998194
"370185"	385.041201	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+HCOOH-H"	44.998201
"358442"	399.056851	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+Hac-H"	59.013851
"1506549"	229.035351	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Hac-H"	59.013851
"972516"	237.001651	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-H+NaCOOH"	66.980151
"122632"	204.990902	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+2Cl"	69.938804
"561100"	290.001652	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+2Cl"	69.938804
"1032815"	119.980152	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2Cl"	69.938804
"1249480"	248.940385	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Br"	78.918885
"1309741"	250.996372	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Cl+HCOOH"	80.974872
"1328333"	272.978329	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Cl+NaCOOH"	102.956829
"923402"	283.007086	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M-H+CF3COOH"	112.985586
"1298286"	318.983764	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Cl+CF3COOH"	148.962264
"1380461"	135.008824	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H-2H2O"	-35.012676
"1395041"	153.0188	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H-H2O"	-17.0027
"298005"	341.050276	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+H"	1.007276
"690427"	511.071776	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+H"	1.007276
"1366656"	171.028776	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H"	1.007276
"141087"	171.028776	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+2H"	2.014552
"581052"	256.039526	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+2H"	2.014552
"1051315"	86.018026	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2H"	2.014552
"213749"	114.354942666667	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+3H"	3.021828
"656226"	171.028776	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+3H"	3.021828
"1171434"	57.6811093333333	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+3H"	3.021828
"435799"	358.076823	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+NH4"	18.033823
"795700"	528.098323	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+NH4"	18.033823
"1692033"	188.055323	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+NH4"	18.033823
"342496"	179.5420495	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+H+NH4"	19.041099
"731641"	264.5527995	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+H+NH4"	19.041099
"1485458"	94.5312995	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H+NH4"	19.041099
"405234"	363.032218	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+Na"	22.989218
"764042"	533.053718	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+Na"	22.989218
"1615056"	193.010718	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Na"	22.989218
"324364"	182.019747	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+H+Na"	23.996494
"714598"	267.030497	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+H+Na"	23.996494
"1467322"	97.008997	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H+Na"	23.996494
"1062753"	65.0084233333333	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2H+Na"	25.00377
"1266619"	203.054986	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+CH3OH+H"	33.033486
"381919"	379.006158	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+K"	38.963158
"740730"	549.027658	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+K"	38.963158
"1540834"	208.984658	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+K"	38.963158
"301172"	190.006717	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+H+K"	39.970434
"692741"	275.017467	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+H+K"	39.970434
"1446438"	104.995967	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H+K"	39.970434
"242464"	382.076826	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+ACN+H"	42.033826
"1218452"	212.055326	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+ACN+H"	42.033826
"1203431"	106.531301	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+ACN+2H"	43.041102
"191195"	385.01416	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+2Na-H"	44.97116
"630508"	555.03566	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+2Na-H"	44.97116
"1136087"	214.99266	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2Na-H"	44.97116
"181566"	193.010718	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+2Na"	45.978436
"622218"	278.021468	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+2Na"	45.978436
"1120623"	107.999968	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2Na"	45.978436
"1405969"	72.3357373333333	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H+2Na"	46.985712
"1439181"	217.034246	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H+HCOOH"	47.012746
"226689"	198.04374	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+3H2O+2H"	56.04448
"1520217"	231.08629	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+IsoProp+H"	61.06479
"420996"	200.997688	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+Na+K"	61.952376
"778710"	286.008438	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+Na+K"	61.952376
"1673953"	115.986938	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Na+K"	61.952376
"259384"	404.058768	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+ACN+Na"	64.015768
"1232089"	234.037268	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+ACN+Na"	64.015768
"1715143"	234.060793	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+NH4+HCOOH"	64.039293
"1187059"	79.6630513333333	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+3Na"	68.967654
"1660596"	239.016188	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Na+HCOOH"	68.994688
"167820"	416.96204	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+2K-H"	76.91904
"601548"	586.98354	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+2K-H"	76.91904
"1086790"	246.94054	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2K-H"	76.91904
"153810"	208.984658	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"2M+2K"	77.926316
"583166"	293.995408	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"3M+2K"	77.926316
"1070713"	123.973908	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2K"	77.926316
"1105625"	248.955092	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2K+H"	78.933592
"1336300"	249.042707	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+DMSO+H"	79.021207
"1006407"	253.081876	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2ACN+H"	83.060376
"1525750"	254.075508	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+IsoProp+Na+H"	84.054008
"991837"	127.044576	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+2ACN+2H"	84.067652
"1587677"	254.990128	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+K+HCOOH"	84.968628
"1425128"	285.021638	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+H+CF3COOH"	115.000138
"1161982"	147.557851	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+3ACN+2H"	125.094202
"1708252"	302.048185	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+NH4+CF3COOH"	132.026685
"1641715"	307.00358	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+Na+CF3COOH"	136.98208
"1586113"	322.97752	"C01424"	"Gallate;Gallic acid;345-Trihydroxybenzoic acid;345-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid"	"C7H6O5"	"170.0215"	"M+K+CF3COOH"	152.95602
"815384"	276.0958	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M"	0
"980170"	257.07741	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-H2O-H"	-19.01839
"72785"	183.056590666667	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M-3H"	-3.021828
"510160"	275.088524	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M-3H"	-3.021828
"891242"	91.0246573333333	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-3H"	-3.021828
"14190"	275.088524	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M-2H"	-2.014552
"450471"	413.136424	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M-2H"	-2.014552
"818799"	137.040624	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-2H"	-2.014552
"80613"	551.184324	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M-H"	-1.007276
"519930"	827.280124	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M-H"	-1.007276
"901256"	275.088524	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-H"	-1.007276
"52350"	568.210871	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M-2H+NH4"	16.019271
"493005"	844.306671	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M-2H+NH4"	16.019271
"868620"	292.115071	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-2H+NH4"	16.019271
"37613"	573.166266	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M-2H+Na"	20.974666
"472187"	849.262066	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M-2H+Na"	20.974666
"849994"	297.070466	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-2H+Na"	20.974666
"1620136"	297.070466	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Na-2H"	20.974666
"102136"	293.076863	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M-H+Cl"	33.962126
"538415"	431.124763	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M-H+Cl"	33.962126
"933387"	155.028963	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-H+Cl"	33.962126
"270850"	587.161002	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+Cl"	34.969402
"664365"	863.256802	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+Cl"	34.969402
"1278957"	311.065202	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Cl"	34.969402
"21876"	589.140206	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M-2H+K"	36.948606
"458155"	865.236006	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M-2H+K"	36.948606
"837053"	313.044406	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-2H+K"	36.948606
"1566382"	313.044406	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+K-2H"	36.948606
"952080"	321.093994	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-H+HCOOH"	44.998194
"371389"	597.189801	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+HCOOH-H"	44.998201
"356366"	611.205451	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+Hac-H"	59.013851
"1507388"	335.109651	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Hac-H"	59.013851
"972990"	343.075951	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-H+NaCOOH"	66.980151
"124565"	311.065202	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+2Cl"	69.938804
"561210"	449.113102	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+2Cl"	69.938804
"1025638"	173.017302	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2Cl"	69.938804
"1247403"	355.014685	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Br"	78.918885
"1309851"	357.070672	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Cl+HCOOH"	80.974872
"1329536"	379.052629	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Cl+NaCOOH"	102.956829
"917314"	389.081386	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M-H+CF3COOH"	112.985586
"1298396"	425.058064	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Cl+CF3COOH"	148.962264
"1381909"	241.083124	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H-2H2O"	-35.012676
"1397582"	259.0931	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H-H2O"	-17.0027
"296900"	553.198876	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+H"	1.007276
"690903"	829.294676	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+H"	1.007276
"1366522"	277.103076	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H"	1.007276
"141291"	277.103076	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+2H"	2.014552
"581040"	415.150976	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+2H"	2.014552
"1052768"	139.055176	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2H"	2.014552
"213859"	185.071142666667	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+3H"	3.021828
"657429"	277.103076	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+3H"	3.021828
"1176527"	93.0392093333333	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+3H"	3.021828
"433724"	570.225423	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+NH4"	18.033823
"800189"	846.321223	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+NH4"	18.033823
"1692144"	294.129623	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+NH4"	18.033823
"341516"	285.6163495	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+H+NH4"	19.041099
"732844"	423.6642495	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+H+NH4"	19.041099
"1485569"	147.5684495	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H+NH4"	19.041099
"402065"	575.180818	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+Na"	22.989218
"765247"	851.276618	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+Na"	22.989218
"1611158"	299.085018	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Na"	22.989218
"325569"	288.094047	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+H+Na"	23.996494
"715802"	426.141947	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+H+Na"	23.996494
"1472900"	150.046147	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H+Na"	23.996494
"1063958"	100.366523333333	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2H+Na"	25.00377
"1261262"	309.129286	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+CH3OH+H"	33.033486
"380936"	591.154758	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+K"	38.963158
"739620"	867.250558	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+K"	38.963158
"1541065"	315.058958	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+K"	38.963158
"301524"	296.081017	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+H+K"	39.970434
"692851"	434.128917	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+H+K"	39.970434
"1447765"	158.033117	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H+K"	39.970434
"240385"	594.225426	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+ACN+H"	42.033826
"1217469"	318.129626	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+ACN+H"	42.033826
"1205727"	159.568451	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+ACN+2H"	43.041102
"192399"	597.16276	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+2Na-H"	44.97116
"630497"	873.25856	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+2Na-H"	44.97116
"1136561"	321.06696	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2Na-H"	44.97116
"183862"	299.085018	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+2Na"	45.978436
"619047"	437.132918	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+2Na"	45.978436
"1123648"	161.037118	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2Na"	45.978436
"1409359"	107.693837333333	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H+2Na"	46.985712
"1440384"	323.108546	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H+HCOOH"	47.012746
"232265"	304.11804	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+3H2O+2H"	56.04448
"1521785"	337.16059	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+IsoProp+H"	61.06479
"421106"	307.071988	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+Na+K"	61.952376
"776998"	445.119888	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+Na+K"	61.952376
"1679528"	169.024088	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Na+K"	61.952376
"262045"	616.207368	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+ACN+Na"	64.015768
"1233292"	340.111568	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+ACN+Na"	64.015768
"1715981"	340.135093	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+NH4+HCOOH"	64.039293
"1188626"	115.021151333333	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+3Na"	68.967654
"1659613"	345.090488	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Na+HCOOH"	68.994688
"167565"	629.11064	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+2K-H"	76.91904
"602386"	905.20644	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+2K-H"	76.91904
"1087993"	353.01484	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2K-H"	76.91904
"153920"	315.058958	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"2M+2K"	77.926316
"583639"	453.106858	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"3M+2K"	77.926316
"1072527"	177.011058	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2K"	77.926316
"1103549"	355.029392	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2K+H"	78.933592
"1337017"	355.117007	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+DMSO+H"	79.021207
"1007366"	359.156176	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2ACN+H"	83.060376
"1526957"	360.149808	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+IsoProp+Na+H"	84.054008
"991947"	180.081726	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+2ACN+2H"	84.067652
"1589004"	361.064428	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+K+HCOOH"	84.968628
"1424145"	391.095938	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+H+CF3COOH"	115.000138
"1160635"	200.595001	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+3ACN+2H"	125.094202
"1710548"	408.122485	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+NH4+CF3COOH"	132.026685
"1641825"	413.07788	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+Na+CF3COOH"	136.98208
"1586223"	429.05182	"C01425"	"Glutamyl-glutamic acid;L-alpha-Glutamyl-L-glutamic acid;Glu-Glu"	"C10H16N2O7"	"276.0958"	"M+K+CF3COOH"	152.95602
"806746"	90.0317	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M"	0
"980280"	71.01331	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"72895"	59.0138573333333	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"513550"	89.024424	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"892446"	29.0032906666667	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"11023"	89.024424	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"446210"	134.040274	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"818542"	44.008574	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"79505"	179.056124	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"518696"	269.087824	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"895725"	89.024424	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"49545"	196.082671	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"488013"	286.114371	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"869824"	106.050971	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"36630"	201.038066	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"471938"	291.069766	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"858369"	111.006366	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1622434"	111.006366	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"104432"	107.012763	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"541805"	152.028613	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"934228"	61.996913	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"270963"	215.032802	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"670673"	305.064502	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1278703"	125.001102	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"24540"	217.012006	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"465196"	307.043706	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"835343"	126.980306	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1570504"	126.980306	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"956564"	135.029894	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"375873"	225.061601	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"354289"	239.077251	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1507379"	149.045551	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"973667"	157.011851	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"124919"	125.001102	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"559134"	170.016952	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1027934"	79.985252	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1247513"	168.950585	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1316523"	171.006572	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1328553"	192.988529	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"923622"	203.017286	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1303614"	238.993964	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1382141"	55.019024	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1397084"	73.029	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"294945"	181.070676	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"690286"	271.102376	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1365538"	91.038976	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"140864"	91.038976	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"580545"	136.054826	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1050808"	46.023126	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"215793"	61.0284093333333	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"657906"	91.038976	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1175666"	31.0178426666667	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"436021"	198.097223	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"797748"	288.128923	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1693347"	108.065523	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"341262"	99.5522495	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"734047"	144.5680995	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1490053"	54.5363995	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"404362"	203.052618	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"762078"	293.084318	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1615644"	113.020918	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"325680"	102.029947	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"711541"	147.045797	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1471917"	57.014097	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1062974"	38.3451566666667	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1265746"	123.065186	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"379953"	219.026558	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"738756"	309.058258	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1539876"	128.994858	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"299812"	110.016917	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"691989"	155.032767	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1447876"	65.001067	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"239402"	222.097226	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1217579"	132.065526	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1204744"	66.536401	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"192145"	225.03456	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"632432"	315.06626	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1134846"	135.00286	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"185064"	113.020918	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"620251"	158.036768	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1120478"	68.005068	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1407282"	45.6724706666667	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1442681"	137.044446	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"232374"	118.05394	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1522623"	151.09649	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"420125"	121.007888	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"785011"	166.023738	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1680491"	75.992038	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"263613"	244.079168	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1237048"	154.047468	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1714996"	154.070993	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1186549"	52.9997846666667	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1652433"	159.026388	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"166220"	256.98244	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"602132"	347.01414	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1088833"	166.95074	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"142611"	128.994858	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"582049"	174.010708	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1068909"	83.979008	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1100051"	168.965292	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1340047"	169.052907	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1011860"	173.092076	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1529986"	174.085708	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"990234"	87.049676	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1590937"	175.000328	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1415138"	205.031838	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1156732"	107.562951	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1709565"	222.058385	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1641935"	227.01378	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1586333"	242.98772	"C01432"	"Lactate;Lactic acid;2-Hydroxypropanoic acid;2-Hydroxypropionic acid"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"816212"	390.1526	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M"	0
"988046"	371.13421	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-H2O-H"	-19.01839
"75195"	259.094457333333	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M-3H"	-3.021828
"515847"	389.145324	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M-3H"	-3.021828
"888184"	129.043590666667	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-3H"	-3.021828
"3479"	389.145324	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M-2H"	-2.014552
"447414"	584.221624	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M-2H"	-2.014552
"819016"	194.069024	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-2H"	-2.014552
"78799"	779.297924	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M-H"	-1.007276
"518846"	1169.450524	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M-H"	-1.007276
"895923"	389.145324	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-H"	-1.007276
"49655"	796.324471	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M-2H+NH4"	16.019271
"488243"	1186.477071	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M-2H+NH4"	16.019271
"865194"	406.171871	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-2H+NH4"	16.019271
"31874"	801.279866	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M-2H+Na"	20.974666
"472048"	1191.432466	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M-2H+Na"	20.974666
"858479"	411.127266	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-2H+Na"	20.974666
"1619265"	411.127266	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Na-2H"	20.974666
"102355"	407.133663	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M-H+Cl"	33.962126
"538636"	602.209963	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M-H+Cl"	33.962126
"934338"	212.057363	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-H+Cl"	33.962126
"273989"	815.274602	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+Cl"	34.969402
"670783"	1205.427202	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+Cl"	34.969402
"1279906"	425.122002	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Cl"	34.969402
"23556"	817.253806	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M-2H+K"	36.948606
"466401"	1207.406406	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M-2H+K"	36.948606
"836546"	427.101206	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-2H+K"	36.948606
"1567698"	427.101206	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+K-2H"	36.948606
"956675"	435.150794	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-H+HCOOH"	44.998194
"374890"	825.303401	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+HCOOH-H"	44.998201
"359145"	839.319051	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+Hac-H"	59.013851
"1504327"	449.166451	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Hac-H"	59.013851
"971143"	457.132751	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-H+NaCOOH"	66.980151
"123935"	425.122002	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+2Cl"	69.938804
"557057"	620.198302	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+2Cl"	69.938804
"1029138"	230.045702	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2Cl"	69.938804
"1250904"	469.071485	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Br"	78.918885
"1315541"	471.127472	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Cl+HCOOH"	80.974872
"1328663"	493.109429	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Cl+NaCOOH"	102.956829
"920816"	503.138186	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M-H+CF3COOH"	112.985586
"1298617"	539.114864	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Cl+CF3COOH"	148.962264
"1374591"	355.139924	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H-2H2O"	-35.012676
"1395370"	373.1499	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H-H2O"	-17.0027
"296149"	781.312476	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+H"	1.007276
"688569"	1171.465076	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+H"	1.007276
"1365647"	391.159876	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H"	1.007276
"140972"	391.159876	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+2H"	2.014552
"581020"	586.236176	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+2H"	2.014552
"1051040"	196.083576	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2H"	2.014552
"217484"	261.109009333333	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+3H"	3.021828
"658138"	391.159876	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+3H"	3.021828
"1175776"	131.058142666667	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+3H"	3.021828
"432851"	798.339023	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+NH4"	18.033823
"797492"	1188.491623	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+NH4"	18.033823
"1692364"	408.186423	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+NH4"	18.033823
"342830"	399.6731495	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+H+NH4"	19.041099
"736345"	594.7494495	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+H+NH4"	19.041099
"1486884"	204.5968495	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H+NH4"	19.041099
"402286"	803.294418	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+Na"	22.989218
"763281"	1193.447018	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+Na"	22.989218
"1615026"	413.141818	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Na"	22.989218
"321417"	402.150847	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+H+Na"	23.996494
"710557"	597.227147	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+H+Na"	23.996494
"1470935"	207.074547	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H+Na"	23.996494
"1063087"	138.385456666667	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2H+Na"	25.00377
"1264764"	423.186086	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+CH3OH+H"	33.033486
"380065"	819.268358	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+K"	38.963158
"738708"	1209.420958	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+K"	38.963158
"1540190"	429.115758	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+K"	38.963158
"298577"	410.137817	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+H+K"	39.970434
"691978"	605.214117	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+H+K"	39.970434
"1447257"	215.061517	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H+K"	39.970434
"239512"	822.339026	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+ACN+H"	42.033826
"1216596"	432.186426	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+ACN+H"	42.033826
"1201574"	216.596851	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+ACN+2H"	43.041102
"197724"	825.27636	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+2Na-H"	44.97116
"631813"	1215.42896	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+2Na-H"	44.97116
"1136415"	435.12376	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2Na-H"	44.97116
"178614"	413.141818	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+2Na"	45.978436
"617445"	608.218118	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+2Na"	45.978436
"1120952"	218.065518	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2Na"	45.978436
"1409579"	145.712770666667	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H+2Na"	46.985712
"1441696"	437.165346	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H+HCOOH"	47.012746
"229204"	418.17484	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+3H2O+2H"	56.04448
"1520546"	451.21739	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+IsoProp+H"	61.06479
"419142"	421.128788	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+Na+K"	61.952376
"783783"	616.205088	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+Na+K"	61.952376
"1679750"	226.052488	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Na+K"	61.952376
"258977"	844.320968	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+ACN+Na"	64.015768
"1232420"	454.168368	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+ACN+Na"	64.015768
"1716930"	454.191893	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+NH4+HCOOH"	64.039293
"1183380"	153.040084666667	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+3Na"	68.967654
"1651448"	459.147288	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Na+HCOOH"	68.994688
"164507"	857.22424	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+2K-H"	76.91904
"601148"	1247.37684	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+2K-H"	76.91904
"1089673"	467.07164	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2K-H"	76.91904
"143210"	429.115758	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"2M+2K"	77.926316
"582280"	624.192058	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"3M+2K"	77.926316
"1068553"	234.039458	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2K"	77.926316
"1100194"	469.086192	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2K+H"	78.933592
"1336877"	469.173807	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+DMSO+H"	79.021207
"1008690"	473.212976	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2ACN+H"	83.060376
"1530096"	474.206608	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+IsoProp+Na+H"	84.054008
"991803"	237.110126	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+2ACN+2H"	84.067652
"1591048"	475.121228	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+K+HCOOH"	84.968628
"1417803"	505.152738	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+H+CF3COOH"	115.000138
"1160124"	257.623401	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+3ACN+2H"	125.094202
"1709675"	522.179285	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+NH4+CF3COOH"	132.026685
"1649215"	527.13468	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+Na+CF3COOH"	136.98208
"1586443"	543.10862	"C01433"	"Loganin"	"C17H26O10"	"390.1526"	"M+K+CF3COOH"	152.95602
"806966"	16.0313	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M"	0
"988155"	-2.98709	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-H2O-H"	-19.01839
"73115"	9.68025733333334	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M-3H"	-3.021828
"517052"	15.024024	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M-3H"	-3.021828
"891573"	4.33649066666667	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-3H"	-3.021828
"10151"	15.024024	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M-2H"	-2.014552
"450805"	23.039674	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M-2H"	-2.014552
"822043"	7.008374	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-2H"	-2.014552
"81306"	31.055324	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M-H"	-1.007276
"519773"	47.086624	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M-H"	-1.007276
"896844"	15.024024	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-H"	-1.007276
"49765"	48.081871	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M-2H+NH4"	16.019271
"488962"	64.113171	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M-2H+NH4"	16.019271
"865668"	32.050571	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-2H+NH4"	16.019271
"32840"	53.037266	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M-2H+Na"	20.974666
"471987"	69.068566	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M-2H+Na"	20.974666
"855307"	37.005966	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-2H+Na"	20.974666
"1619739"	37.005966	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Na-2H"	20.974666
"100278"	33.012363	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M-H+Cl"	33.962126
"546400"	41.028013	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M-H+Cl"	33.962126
"934448"	24.996713	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-H+Cl"	33.962126
"280659"	67.032002	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+Cl"	34.969402
"673810"	83.063302	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+Cl"	34.969402
"1284390"	51.000702	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Cl"	34.969402
"26946"	69.011206	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M-2H+K"	36.948606
"469791"	85.042506	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M-2H+K"	36.948606
"836656"	52.979906	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-2H+K"	36.948606
"1568903"	52.979906	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+K-2H"	36.948606
"957514"	61.029494	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-H+HCOOH"	44.998194
"373906"	77.060801	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+HCOOH-H"	44.998201
"355603"	91.076451	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+Hac-H"	59.013851
"1507599"	75.045151	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Hac-H"	59.013851
"974192"	83.011451	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-H+NaCOOH"	66.980151
"125067"	51.000702	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+2Cl"	69.938804
"565033"	59.016352	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+2Cl"	69.938804
"1034715"	42.985052	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2Cl"	69.938804
"1252108"	94.950185	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Br"	78.918885
"1317838"	97.006172	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Cl+HCOOH"	80.974872
"1332054"	118.988129	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Cl+NaCOOH"	102.956829
"923114"	129.016886	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M-H+CF3COOH"	112.985586
"1301644"	164.993564	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Cl+CF3COOH"	148.962264
"1382356"	-18.981376	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H-2H2O"	-35.012676
"1398034"	-0.971399999999999	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H-H2O"	-17.0027
"296259"	33.069876	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+H"	1.007276
"691236"	49.101176	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+H"	1.007276
"1366975"	17.038576	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H"	1.007276
"141345"	17.038576	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+2H"	2.014552
"580646"	25.054226	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+2H"	2.014552
"1051875"	9.022926	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2H"	2.014552
"219056"	11.6948093333333	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+3H"	3.021828
"658497"	17.038576	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+3H"	3.021828
"1177105"	6.35104266666667	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+3H"	3.021828
"430774"	50.096423	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+NH4"	18.033823
"798331"	66.127723	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+NH4"	18.033823
"1695027"	34.065123	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+NH4"	18.033823
"340754"	25.5518495	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+H+NH4"	19.041099
"736458"	33.5674995	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+H+NH4"	19.041099
"1489187"	17.5361995	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H+NH4"	19.041099
"405678"	55.051818	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+Na"	22.989218
"761204"	71.083118	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+Na"	22.989218
"1615141"	39.020518	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Na"	22.989218
"326266"	28.029547	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+H+Na"	23.996494
"716136"	36.045197	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+H+Na"	23.996494
"1473601"	20.013897	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H+Na"	23.996494
"1065751"	13.6783566666667	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2H+Na"	25.00377
"1268156"	49.064786	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+CH3OH+H"	33.033486
"380175"	71.025758	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+K"	38.963158
"738861"	87.057058	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+K"	38.963158
"1541029"	54.994458	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+K"	38.963158
"301128"	36.016517	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+H+K"	39.970434
"695007"	44.032167	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+H+K"	39.970434
"1452108"	28.000867	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H+K"	39.970434
"237435"	74.096426	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+ACN+H"	42.033826
"1211962"	58.065126	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+ACN+H"	42.033826
"1201683"	29.536201	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+ACN+2H"	43.041102
"194553"	77.03376	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+2Na-H"	44.97116
"631926"	93.06506	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+2Na-H"	44.97116
"1137620"	61.00246	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2Na-H"	44.97116
"176533"	39.020518	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+2Na"	45.978436
"623750"	47.036168	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+2Na"	45.978436
"1121789"	31.004868	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2Na"	45.978436
"1407503"	21.0056706666667	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H+2Na"	46.985712
"1440712"	63.044046	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H+HCOOH"	47.012746
"230409"	44.05354	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+3H2O+2H"	56.04448
"1522478"	77.09609	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+IsoProp+H"	61.06479
"420344"	47.007488	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+Na+K"	61.952376
"778059"	55.023138	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+Na+K"	61.952376
"1678765"	38.991838	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Na+K"	61.952376
"257994"	96.078368	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+ACN+Na"	64.015768
"1234719"	80.047068	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+ACN+Na"	64.015768
"1721417"	80.070593	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+NH4+HCOOH"	64.039293
"1186771"	28.3329846666667	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+3Na"	68.967654
"1658851"	85.025988	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Na+HCOOH"	68.994688
"163524"	108.98164	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+2K-H"	76.91904
"603082"	125.01294	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+2K-H"	76.91904
"1093064"	92.95034	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2K-H"	76.91904
"145507"	54.994458	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"2M+2K"	77.926316
"583121"	63.010108	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"3M+2K"	77.926316
"1068529"	46.978808	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2K"	77.926316
"1099993"	94.964892	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2K+H"	78.933592
"1336375"	95.052507	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+DMSO+H"	79.021207
"1008800"	99.091676	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2ACN+H"	83.060376
"1531298"	100.085308	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+IsoProp+Na+H"	84.054008
"994464"	50.049476	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+2ACN+2H"	84.067652
"1592251"	100.999928	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+K+HCOOH"	84.968628
"1420099"	131.031438	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+H+CF3COOH"	115.000138
"1159141"	70.562751	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+3ACN+2H"	125.094202
"1708692"	148.057985	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+NH4+CF3COOH"	132.026685
"1648353"	153.01338	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+Na+CF3COOH"	136.98208
"1586553"	168.98732	"C01438"	"Methane;CH4"	"CH4"	"16.0313"	"M+K+CF3COOH"	152.95602
"814731"	322.1852	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M"	0
"980610"	303.16681	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-H2O-H"	-19.01839
"66664"	213.782857333333	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M-3H"	-3.021828
"513881"	321.177924	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M-3H"	-3.021828
"888402"	106.387790666667	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-3H"	-3.021828
"8074"	321.177924	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M-2H"	-2.014552
"444354"	482.270524	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M-2H"	-2.014552
"821060"	160.085324	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-2H"	-2.014552
"81418"	643.363124	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M-H"	-1.007276
"521343"	965.548324	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M-H"	-1.007276
"896346"	321.177924	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-H"	-1.007276
"49145"	660.389671	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M-2H+NH4"	16.019271
"488584"	982.574871	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M-2H+NH4"	16.019271
"865535"	338.204471	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-2H+NH4"	16.019271
"32004"	665.345066	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M-2H+Na"	20.974666
"471776"	987.530266	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M-2H+Na"	20.974666
"849339"	343.159866	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-2H+Na"	20.974666
"1620212"	343.159866	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Na-2H"	20.974666
"102575"	339.166263	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M-H+Cl"	33.962126
"541042"	500.258863	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M-H+Cl"	33.962126
"933465"	178.073663	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-H+Cl"	33.962126
"280769"	679.339802	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+Cl"	34.969402
"667722"	1001.525002	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+Cl"	34.969402
"1284500"	357.154602	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Cl"	34.969402
"25963"	681.319006	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M-2H+K"	36.948606
"469538"	1003.504206	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M-2H+K"	36.948606
"837860"	359.133806	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-2H+K"	36.948606
"1569013"	359.133806	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+K-2H"	36.948606
"954707"	367.183394	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-H+HCOOH"	44.998194
"372923"	689.368601	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+HCOOH-H"	44.998201
"359359"	703.384251	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+Hac-H"	59.013851
"1507833"	381.199051	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Hac-H"	59.013851
"974106"	389.165351	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-H+NaCOOH"	66.980151
"125256"	357.154602	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+2Cl"	69.938804
"565596"	518.247202	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+2Cl"	69.938804
"1033731"	196.062002	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2Cl"	69.938804
"1247844"	401.104085	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Br"	78.918885
"1314666"	403.160072	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Cl+HCOOH"	80.974872
"1332164"	425.142029	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Cl+NaCOOH"	102.956829
"923224"	435.170786	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M-H+CF3COOH"	112.985586
"1298838"	471.147464	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Cl+CF3COOH"	148.962264
"1377727"	287.172524	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H-2H2O"	-35.012676
"1396684"	305.1825	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H-H2O"	-17.0027
"296369"	645.377676	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+H"	1.007276
"691142"	967.562876	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+H"	1.007276
"1366938"	323.192476	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H"	1.007276
"141182"	323.192476	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+2H"	2.014552
"580756"	484.285076	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+2H"	2.014552
"1048578"	162.099876	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2H"	2.014552
"219288"	215.797409333333	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+3H"	3.021828
"659818"	323.192476	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+3H"	3.021828
"1176971"	108.402342666667	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+3H"	3.021828
"429791"	662.404223	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+NH4"	18.033823
"799899"	984.589423	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+NH4"	18.033823
"1695138"	340.219023	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+NH4"	18.033823
"343780"	331.7057495	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+H+NH4"	19.041099
"737621"	492.7983495	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+H+NH4"	19.041099
"1490391"	170.6131495	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H+NH4"	19.041099
"406516"	667.359618	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+Na"	22.989218
"766781"	989.544818	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+Na"	22.989218
"1614884"	345.174418	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Na"	22.989218
"324921"	334.183447	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+H+Na"	23.996494
"719526"	495.276047	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+H+Na"	23.996494
"1472983"	173.090847	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H+Na"	23.996494
"1065134"	115.729656666667	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2H+Na"	25.00377
"1263894"	355.218686	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+CH3OH+H"	33.033486
"380285"	683.333558	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+K"	38.963158
"740552"	1005.518758	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+K"	38.963158
"1541143"	361.148358	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+K"	38.963158
"301602"	342.170417	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+H+K"	39.970434
"695481"	503.263017	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+H+K"	39.970434
"1452218"	181.077817	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H+K"	39.970434
"239732"	686.404226	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+ACN+H"	42.033826
"1212440"	364.219026	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+ACN+H"	42.033826
"1201793"	182.613151	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+ACN+2H"	43.041102
"194663"	689.34156	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+2Na-H"	44.97116
"638598"	1011.52676	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+2Na-H"	44.97116
"1141011"	367.15636	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2Na-H"	44.97116
"183207"	345.174418	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+2Na"	45.978436
"626413"	506.267018	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+2Na"	45.978436
"1126276"	184.081818	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2Na"	45.978436
"1409800"	123.056970666667	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H+2Na"	46.985712
"1439729"	369.197946	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H+HCOOH"	47.012746
"229425"	350.20744	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+3H2O+2H"	56.04448
"1522467"	383.24999	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+IsoProp+H"	61.06479
"420454"	353.161388	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+Na+K"	61.952376
"782542"	514.253988	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+Na+K"	61.952376
"1678875"	192.068788	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Na+K"	61.952376
"261020"	708.386168	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+ACN+Na"	64.015768
"1234829"	386.200968	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+ACN+Na"	64.015768
"1722621"	386.224493	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+NH4+HCOOH"	64.039293
"1186882"	130.384284666667	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+3Na"	68.967654
"1656774"	391.179888	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Na+HCOOH"	68.994688
"163634"	721.28944	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+2K-H"	76.91904
"602463"	1043.47464	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+2K-H"	76.91904
"1093174"	399.10424	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2K-H"	76.91904
"144523"	361.148358	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"2M+2K"	77.926316
"582135"	522.240958	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"3M+2K"	77.926316
"1068998"	200.055758	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2K"	77.926316
"1099969"	401.118792	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2K+H"	78.933592
"1336852"	401.206407	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+DMSO+H"	79.021207
"1013283"	405.245576	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2ACN+H"	83.060376
"1529221"	406.239208	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+IsoProp+Na+H"	84.054008
"991537"	203.126426	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+2ACN+2H"	84.067652
"1595643"	407.153828	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+K+HCOOH"	84.968628
"1422397"	437.185338	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+H+CF3COOH"	115.000138
"1158157"	223.639701	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+3ACN+2H"	125.094202
"1708802"	454.211885	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+NH4+CF3COOH"	132.026685
"1645545"	459.16728	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+Na+CF3COOH"	136.98208
"1586663"	475.14122	"C01441"	"Neamine;Neomycin A"	"C12H26N4O6"	"322.1852"	"M+K+CF3COOH"	152.95602
"815572"	584.2833	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M"	0
"980720"	565.26491	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-H2O-H"	-19.01839
"72244"	388.514924	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M-3H"	-3.021828
"513995"	583.276024	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M-3H"	-3.021828
"890703"	193.753824	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-3H"	-3.021828
"2353"	583.276024	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M-2H"	-2.014552
"446650"	875.417674	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M-2H"	-2.014552
"820443"	291.134374	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-2H"	-2.014552
"84446"	1167.559324	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M-H"	-1.007276
"521452"	1751.842624	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M-H"	-1.007276
"900716"	583.276024	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-H"	-1.007276
"49257"	1184.585871	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M-2H+NH4"	16.019271
"489059"	1768.869171	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M-2H+NH4"	16.019271
"869172"	600.302571	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-2H+NH4"	16.019271
"34886"	1189.541266	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M-2H+Na"	20.974666
"475540"	1773.824566	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M-2H+Na"	20.974666
"852248"	605.257966	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-2H+Na"	20.974666
"1622875"	605.257966	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Na-2H"	20.974666
"100499"	601.264363	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M-H+Cl"	33.962126
"543340"	893.406013	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M-H+Cl"	33.962126
"934668"	309.122713	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-H+Cl"	33.962126
"274318"	1203.536002	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+Cl"	34.969402
"665646"	1787.819302	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+Cl"	34.969402
"1281332"	619.252702	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Cl"	34.969402
"28262"	1205.515206	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M-2H+K"	36.948606
"468916"	1789.798506	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M-2H+K"	36.948606
"840156"	621.231906	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-2H+K"	36.948606
"1570215"	621.231906	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+K-2H"	36.948606
"955910"	629.281494	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-H+HCOOH"	44.998194
"373762"	1213.564801	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+HCOOH-H"	44.998201
"356551"	1227.580451	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+Hac-H"	59.013851
"1508412"	643.297151	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Hac-H"	59.013851
"974143"	651.263451	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-H+NaCOOH"	66.980151
"125365"	619.252702	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+2Cl"	69.938804
"565493"	911.394352	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+2Cl"	69.938804
"1033841"	327.111052	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2Cl"	69.938804
"1250141"	663.202185	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Br"	78.918885
"1319863"	665.258172	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Cl+HCOOH"	80.974872
"1334828"	687.240129	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Cl+NaCOOH"	102.956829
"925886"	697.268886	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M-H+CF3COOH"	112.985586
"1301863"	733.245564	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Cl+CF3COOH"	148.962264
"1378201"	549.270624	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H-2H2O"	-35.012676
"1397160"	567.2806	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H-H2O"	-17.0027
"297573"	1169.573876	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+H"	1.007276
"691096"	1753.857176	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+H"	1.007276
"1366793"	585.290576	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H"	1.007276
"140819"	585.290576	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+2H"	2.014552
"580620"	877.432226	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+2H"	2.014552
"1049783"	293.148926	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2H"	2.014552
"219274"	390.529476	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+3H"	3.021828
"659564"	585.290576	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+3H"	3.021828
"1178261"	195.768376	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+3H"	3.021828
"433181"	1186.600423	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+NH4"	18.033823
"800498"	1770.883723	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+NH4"	18.033823
"1695247"	602.317123	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+NH4"	18.033823
"345352"	593.8038495	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+H+NH4"	19.041099
"736679"	885.9454995	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+H+NH4"	19.041099
"1485031"	301.6621995	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H+NH4"	19.041099
"403710"	1191.555818	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+Na"	22.989218
"764705"	1775.839118	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+Na"	22.989218
"1615357"	607.272518	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Na"	22.989218
"327580"	596.281547	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+H+Na"	23.996494
"718542"	888.423197	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+H+Na"	23.996494
"1473457"	304.139897	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H+Na"	23.996494
"1066335"	203.09569	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2H+Na"	25.00377
"1265098"	617.316786	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+CH3OH+H"	33.033486
"381489"	1207.529758	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+K"	38.963158
"746858"	1791.813058	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+K"	38.963158
"1545631"	623.246458	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+K"	38.963158
"309369"	604.268517	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+H+K"	39.970434
"697416"	896.410167	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+H+K"	39.970434
"1453424"	312.126867	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H+K"	39.970434
"239842"	1210.600426	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+ACN+H"	42.033826
"1212185"	626.317126	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+ACN+H"	42.033826
"1199716"	313.662201	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+ACN+2H"	43.041102
"194773"	1213.53776	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+2Na-H"	44.97116
"638710"	1797.82106	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+2Na-H"	44.97116
"1141121"	629.25446	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2Na-H"	44.97116
"184411"	607.272518	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+2Na"	45.978436
"621785"	899.414168	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+2Na"	45.978436
"1127478"	315.130868	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2Na"	45.978436
"1411003"	210.423004	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H+2Na"	46.985712
"1443850"	631.296046	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H+HCOOH"	47.012746
"234640"	612.30554	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+3H2O+2H"	56.04448
"1519786"	645.34809	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+IsoProp+H"	61.06479
"417284"	615.259488	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+Na+K"	61.952376
"783747"	907.401138	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+Na+K"	61.952376
"1678985"	323.117838	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Na+K"	61.952376
"266238"	1232.582368	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+ACN+Na"	64.015768
"1237125"	648.299068	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+ACN+Na"	64.015768
"1721638"	648.322593	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+NH4+HCOOH"	64.039293
"1188085"	217.750318	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+3Na"	68.967654
"1656884"	653.277988	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Na+HCOOH"	68.994688
"169212"	1245.48564	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+2K-H"	76.91904
"603304"	1829.76894	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+2K-H"	76.91904
"1091097"	661.20234	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2K-H"	76.91904
"146822"	623.246458	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"2M+2K"	77.926316
"583101"	915.388108	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"3M+2K"	77.926316
"1071988"	331.104808	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2K"	77.926316
"1105198"	663.216892	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2K+H"	78.933592
"1343771"	663.304507	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+DMSO+H"	79.021207
"1018862"	667.343676	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2ACN+H"	83.060376
"1537597"	668.337308	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+IsoProp+Na+H"	84.054008
"997968"	334.175476	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+2ACN+2H"	84.067652
"1596847"	669.251928	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+K+HCOOH"	84.968628
"1422507"	699.283438	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+H+CF3COOH"	115.000138
"1158267"	354.688751	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+3ACN+2H"	125.094202
"1710005"	716.309985	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+NH4+CF3COOH"	132.026685
"1645655"	721.26538	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+Na+CF3COOH"	136.98208
"1586773"	737.23932	"C01443"	"Ouabain;G-Strophanthin"	"C29H44O12"	"584.2833"	"M+K+CF3COOH"	152.95602
"816044"	89.0113	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M"	0
"980830"	69.99291	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-H2O-H"	-19.01839
"67977"	58.3335906666667	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M-3H"	-3.021828
"507540"	88.004024	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M-3H"	-3.021828
"886435"	28.6631573333333	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-3H"	-3.021828
"11573"	88.004024	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M-2H"	-2.014552
"448948"	132.509674	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M-2H"	-2.014552
"820553"	43.498374	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-2H"	-2.014552
"82004"	177.015324	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M-H"	-1.007276
"521562"	266.026624	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M-H"	-1.007276
"898639"	88.004024	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-H"	-1.007276
"50095"	194.041871	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M-2H+NH4"	16.019271
"489656"	283.053171	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M-2H+NH4"	16.019271
"872562"	105.030571	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-2H+NH4"	16.019271
"34996"	198.997266	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M-2H+Na"	20.974666
"475650"	288.008566	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M-2H+Na"	20.974666
"852358"	109.985966	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-2H+Na"	20.974666
"1623349"	109.985966	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Na-2H"	20.974666
"100609"	105.992363	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M-H+Cl"	33.962126
"543450"	150.498013	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M-H+Cl"	33.962126
"933685"	61.486713	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-H+Cl"	33.962126
"274428"	212.992002	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+Cl"	34.969402
"664663"	302.003302	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+Cl"	34.969402
"1281442"	123.980702	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Cl"	34.969402
"28372"	214.971206	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M-2H+K"	36.948606
"466840"	303.982506	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M-2H+K"	36.948606
"836987"	125.959906	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-2H+K"	36.948606
"1569232"	125.959906	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+K-2H"	36.948606
"957113"	134.009494	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-H+HCOOH"	44.998194
"375330"	223.020801	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+HCOOH-H"	44.998201
"358118"	237.036451	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+Hac-H"	59.013851
"1508403"	148.025151	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Hac-H"	59.013851
"974167"	155.991451	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-H+NaCOOH"	66.980151
"125690"	123.980702	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+2Cl"	69.938804
"565278"	168.486352	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+2Cl"	69.938804
"1035045"	79.475052	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2Cl"	69.938804
"1250251"	167.930185	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Br"	78.918885
"1319220"	169.986172	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Cl+HCOOH"	80.974872
"1335518"	191.968129	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Cl+NaCOOH"	102.956829
"922351"	201.996886	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M-H+CF3COOH"	112.985586
"1302337"	237.973564	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Cl+CF3COOH"	148.962264
"1378311"	53.998624	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H-2H2O"	-35.012676
"1398260"	72.0086	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H-H2O"	-17.0027
"296590"	179.029876	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+H"	1.007276
"691274"	268.041176	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+H"	1.007276
"1366933"	90.018576	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H"	1.007276
"141334"	90.018576	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+2H"	2.014552
"581165"	134.524226	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+2H"	2.014552
"1050993"	45.512926	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2H"	2.014552
"219384"	60.3481426666667	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+3H"	3.021828
"659434"	90.018576	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+3H"	3.021828
"1178165"	30.6777093333333	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+3H"	3.021828
"439006"	196.056423	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+NH4"	18.033823
"801094"	285.067723	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+NH4"	18.033823
"1696940"	107.045123	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+NH4"	18.033823
"345098"	98.5318495	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+H+NH4"	19.041099
"737155"	143.0374995	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+H+NH4"	19.041099
"1490247"	54.0261995	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H+NH4"	19.041099
"402726"	201.011818	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+Na"	22.989218
"767002"	290.023118	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+Na"	22.989218
"1615102"	112.000518	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Na"	22.989218
"327327"	101.009547	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+H+Na"	23.996494
"716465"	145.515197	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+H+Na"	23.996494
"1473930"	56.503897	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H+Na"	23.996494
"1063532"	38.0050233333333	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2H+Na"	25.00377
"1268125"	122.044786	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+CH3OH+H"	33.033486
"380870"	216.985758	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+K"	38.963158
"743689"	305.997058	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+K"	38.963158
"1542825"	127.974458	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+K"	38.963158
"305105"	108.996517	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+H+K"	39.970434
"696434"	153.502167	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+H+K"	39.970434
"1452441"	64.490867	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H+K"	39.970434
"239952"	220.056426	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+ACN+H"	42.033826
"1214482"	131.045126	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+ACN+H"	42.033826
"1199826"	66.026201	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+ACN+2H"	43.041102
"193060"	222.99376	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+2Na-H"	44.97116
"638820"	312.00506	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+2Na-H"	44.97116
"1141231"	133.98246	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2Na-H"	44.97116
"184521"	112.000518	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+2Na"	45.978436
"622989"	156.506168	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+2Na"	45.978436
"1128683"	67.494868	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2Na"	45.978436
"1410020"	45.3323373333333	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H+2Na"	46.985712
"1444324"	136.024046	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H+HCOOH"	47.012746
"232925"	117.03354	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+3H2O+2H"	56.04448
"1518803"	150.07609	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+IsoProp+H"	61.06479
"417394"	119.987488	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+Na+K"	61.952376
"780577"	164.493138	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+Na+K"	61.952376
"1680189"	75.481838	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Na+K"	61.952376
"266548"	242.038368	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+ACN+Na"	64.015768
"1237235"	153.027068	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+ACN+Na"	64.015768
"1721748"	153.050593	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+NH4+HCOOH"	64.039293
"1187101"	52.6596513333333	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+3Na"	68.967654
"1656994"	158.005988	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Na+HCOOH"	68.994688
"168229"	254.94164	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+2K-H"	76.91904
"603414"	343.95294	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+2K-H"	76.91904
"1091207"	165.93034	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2K-H"	76.91904
"148026"	127.974458	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"2M+2K"	77.926316
"583211"	172.480108	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"3M+2K"	77.926316
"1072098"	83.468808	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2K"	77.926316
"1105308"	167.944892	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2K+H"	78.933592
"1344974"	168.032507	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+DMSO+H"	79.021207
"1018608"	172.071676	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2ACN+H"	83.060376
"1539536"	173.065308	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+IsoProp+Na+H"	84.054008
"1001358"	86.539476	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+2ACN+2H"	84.067652
"1593677"	173.979928	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+K+HCOOH"	84.968628
"1422617"	204.011438	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+H+CF3COOH"	115.000138
"1158377"	107.052751	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+3ACN+2H"	125.094202
"1710115"	221.037985	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+NH4+CF3COOH"	132.026685
"1645765"	225.99338	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+Na+CF3COOH"	136.98208
"1586883"	241.96732	"C01444"	"Oxamate;Oxamic acid;Oxalic monoamide"	"C2H3NO3"	"89.0113"	"M+K+CF3COOH"	152.95602
"807407"	284.0685	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M"	0
"977659"	265.05011	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"63837"	188.371724	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"506557"	283.061224	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"884359"	93.682224	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"6216"	283.061224	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"444684"	425.095474	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"820300"	141.026974	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"81019"	567.129724	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"520216"	851.198224	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"896233"	283.061224	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"50206"	584.156271	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"488673"	868.224771	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"866110"	300.087771	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"32917"	589.111666	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"475760"	873.180166	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"849062"	305.043166	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1620909"	305.043166	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"94681"	301.049563	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"541373"	443.083813	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"934887"	159.015313	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"270165"	603.106402	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"671336"	887.174902	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1281552"	319.037902	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"25202"	605.085606	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"460389"	889.154106	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"841476"	321.017106	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1568976"	321.017106	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"955035"	329.066694	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"376176"	613.135201	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"357137"	627.150851	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1507433"	343.082351	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"973809"	351.048651	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"125702"	319.037902	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"565023"	461.072152	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1029689"	177.003652	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1254733"	362.987385	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1312810"	365.043372	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1334682"	387.025329	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"923555"	397.054086	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1298074"	433.030764	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1379517"	249.055824	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1397014"	267.0658	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"298159"	569.144276	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"691307"	853.212776	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1366564"	285.075776	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"140914"	285.075776	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"579023"	427.110026	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1051469"	143.041526	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"219860"	190.386276	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"659301"	285.075776	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1175966"	95.696776	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"436685"	586.170823	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"798409"	870.239323	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1694742"	302.102323	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"344966"	293.5890495	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"736171"	435.6232995	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1491084"	151.5547995	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"402837"	591.126218	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"768208"	875.194718	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1614847"	307.057718	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"324154"	296.066747	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"717306"	438.100997	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1468205"	154.032497	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1062544"	103.02409	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1260948"	317.101986	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"378793"	607.100158	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"742706"	891.168658	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1542935"	323.031658	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"307402"	304.053717	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"698730"	446.087967	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1458023"	162.019467	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"246624"	610.170826	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1223710"	326.102326	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1206498"	163.554801	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"201558"	613.10816	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"635649"	897.17666	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1145474"	329.03966	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"186819"	307.057718	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"625291"	449.091968	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1127700"	165.023468	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1409036"	110.351404	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1441155"	331.081246	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"229758"	312.09074	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1518913"	345.13329	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"419692"	315.044688	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"781781"	457.078938	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1677019"	173.010438	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"265364"	632.152768	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1239897"	348.084268	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1724044"	348.107793	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1186118"	117.678718	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1657103"	353.063188	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"166151"	645.05604	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"601338"	929.12454	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1090226"	360.98754	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"145950"	323.031658	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"590978"	465.065908	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1080958"	180.997408	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1114168"	363.002092	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1348365"	363.089707	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1014708"	367.128876	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1530647"	368.122508	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"998188"	184.068076	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1593786"	369.037128	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1426011"	399.068638	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1161769"	204.581351	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1710225"	416.095185	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1639314"	421.05058	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1586993"	437.02452	"C01448"	"Questin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"807517"	277.1175	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M"	0
"977769"	258.09911	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-H2O-H"	-19.01839
"65283"	183.737724	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M-3H"	-3.021828
"507760"	276.110224	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M-3H"	-3.021828
"885562"	91.365224	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-3H"	-3.021828
"6326"	276.110224	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M-2H"	-2.014552
"446980"	414.668974	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M-2H"	-2.014552
"818951"	137.551474	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-2H"	-2.014552
"81129"	553.227724	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M-H"	-1.007276
"522511"	830.345224	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M-H"	-1.007276
"896545"	276.110224	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-H"	-1.007276
"49098"	570.254271	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M-2H+NH4"	16.019271
"490239"	847.371771	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M-2H+NH4"	16.019271
"866947"	293.136771	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-2H+NH4"	16.019271
"35577"	575.209666	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M-2H+Na"	20.974666
"475505"	852.327166	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M-2H+Na"	20.974666
"851846"	298.092166	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-2H+Na"	20.974666
"1621747"	298.092166	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Na-2H"	20.974666
"96086"	294.098563	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M-H+Cl"	33.962126
"538567"	432.657313	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M-H+Cl"	33.962126
"930257"	155.539813	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-H+Cl"	33.962126
"269542"	589.204402	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+Cl"	34.969402
"661597"	866.321902	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+Cl"	34.969402
"1274729"	312.086902	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Cl"	34.969402
"22032"	591.183606	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M-2H+K"	36.948606
"459402"	868.301106	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M-2H+K"	36.948606
"843772"	314.066106	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-2H+K"	36.948606
"1557419"	314.066106	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+K-2H"	36.948606
"957332"	322.115694	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-H+HCOOH"	44.998194
"371172"	599.233201	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+HCOOH-H"	44.998201
"352868"	613.248851	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+Hac-H"	59.013851
"1498420"	336.131351	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Hac-H"	59.013851
"973023"	344.097651	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-H+NaCOOH"	66.980151
"125210"	312.086902	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+2Cl"	69.938804
"564647"	450.645652	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+2Cl"	69.938804
"1035269"	173.528152	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2Cl"	69.938804
"1253750"	356.036385	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Br"	78.918885
"1309638"	358.092372	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Cl+HCOOH"	80.974872
"1331510"	380.074329	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Cl+NaCOOH"	102.956829
"918194"	390.103086	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M-H+CF3COOH"	112.985586
"1298183"	426.079764	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Cl+CF3COOH"	148.962264
"1377438"	242.104824	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H-2H2O"	-35.012676
"1388373"	260.1148	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H-H2O"	-17.0027
"288059"	555.242276	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+H"	1.007276
"684853"	832.359776	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+H"	1.007276
"1362296"	278.124776	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H"	1.007276
"140050"	278.124776	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+2H"	2.014552
"580221"	416.683526	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+2H"	2.014552
"1051214"	139.566026	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2H"	2.014552
"219801"	185.752276	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+3H"	3.021828
"659034"	278.124776	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+3H"	3.021828
"1176805"	93.379776	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+3H"	3.021828
"437888"	572.268823	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+NH4"	18.033823
"798154"	849.386323	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+NH4"	18.033823
"1695215"	295.151323	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+NH4"	18.033823
"342395"	286.6380495	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+H+NH4"	19.041099
"733725"	425.1967995	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+H+NH4"	19.041099
"1487545"	148.0792995	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H+NH4"	19.041099
"405131"	577.224218	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+Na"	22.989218
"766855"	854.341718	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+Na"	22.989218
"1615320"	300.106718	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Na"	22.989218
"327177"	289.115747	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+H+Na"	23.996494
"719965"	427.674497	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+H+Na"	23.996494
"1472689"	150.556997	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H+Na"	23.996494
"1056093"	100.70709	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2H+Na"	25.00377
"1260693"	310.150986	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+CH3OH+H"	33.033486
"377603"	593.198158	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+K"	38.963158
"738961"	870.315658	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+K"	38.963158
"1540487"	316.080658	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+K"	38.963158
"302041"	297.102717	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+H+K"	39.970434
"693366"	435.661467	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+H+K"	39.970434
"1447554"	158.543967	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H+K"	39.970434
"237982"	596.268826	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+ACN+H"	42.033826
"1211541"	319.151326	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+ACN+H"	42.033826
"1203327"	160.079301	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+ACN+2H"	43.041102
"190728"	599.20616	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+2Na-H"	44.97116
"629799"	876.32366	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+2Na-H"	44.97116
"1133793"	322.08866	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2Na-H"	44.97116
"179273"	300.106718	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+2Na"	45.978436
"619928"	438.665468	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+2Na"	45.978436
"1126714"	161.547968	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2Na"	45.978436
"1403677"	108.034404	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H+2Na"	46.985712
"1440168"	324.130246	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H+HCOOH"	47.012746
"228770"	305.13974	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+3H2O+2H"	56.04448
"1515739"	338.18229	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+IsoProp+H"	61.06479
"414332"	308.093688	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+Na+K"	61.952376
"772777"	446.652438	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+Na+K"	61.952376
"1671660"	169.534938	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Na+K"	61.952376
"262557"	618.250768	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+ACN+Na"	64.015768
"1234172"	341.133268	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+ACN+Na"	64.015768
"1719778"	341.156793	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+NH4+HCOOH"	64.039293
"1182946"	115.361718	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+3Na"	68.967654
"1651865"	346.112188	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Na+HCOOH"	68.994688
"159699"	631.15404	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+2K-H"	76.91904
"601448"	908.27154	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+2K-H"	76.91904
"1084742"	354.03654	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2K-H"	76.91904
"143871"	316.080658	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"2M+2K"	77.926316
"581968"	454.639408	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"3M+2K"	77.926316
"1068818"	177.521908	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2K"	77.926316
"1104434"	356.051092	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2K+H"	78.933592
"1337050"	356.138707	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+DMSO+H"	79.021207
"1009350"	360.177876	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2ACN+H"	83.060376
"1524674"	361.171508	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+IsoProp+Na+H"	84.054008
"989968"	180.592576	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+2ACN+2H"	84.067652
"1588304"	362.086128	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+K+HCOOH"	84.968628
"1425754"	392.117638	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+H+CF3COOH"	115.000138
"1152034"	201.105851	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+3ACN+2H"	125.094202
"1702679"	409.144185	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+NH4+CF3COOH"	132.026685
"1635412"	414.09958	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+Na+CF3COOH"	136.98208
"1577262"	430.07352	"C01449"	"Queuine;Base Q"	"C12H15N5O3"	"277.1175"	"M+K+CF3COOH"	152.95602
"807628"	286.1053	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M"	0
"986631"	267.08691	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-H2O-H"	-19.01839
"69404"	189.729590666667	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M-3H"	-3.021828
"512248"	285.098024	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M-3H"	-3.021828
"886766"	94.3611573333333	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-3H"	-3.021828
"7530"	285.098024	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M-2H"	-2.014552
"444172"	428.150674	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M-2H"	-2.014552
"819427"	142.045374	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-2H"	-2.014552
"81968"	571.203324	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M-H"	-1.007276
"522258"	857.308624	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M-H"	-1.007276
"897020"	285.098024	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-H"	-1.007276
"50425"	588.229871	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M-2H+NH4"	16.019271
"488282"	874.335171	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M-2H+NH4"	16.019271
"866084"	302.124571	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-2H+NH4"	16.019271
"32519"	593.185266	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M-2H+Na"	20.974666
"475249"	879.290566	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M-2H+Na"	20.974666
"852691"	307.079966	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-2H+Na"	20.974666
"1621857"	307.079966	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Na-2H"	20.974666
"96925"	303.086363	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M-H+Cl"	33.962126
"536120"	446.139013	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M-H+Cl"	33.962126
"930363"	160.033713	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-H+Cl"	33.962126
"268555"	607.180002	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+Cl"	34.969402
"662073"	893.285302	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+Cl"	34.969402
"1273745"	321.074702	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Cl"	34.969402
"16663"	609.159206	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M-2H+K"	36.948606
"467176"	895.264506	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M-2H+K"	36.948606
"846071"	323.053906	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-2H+K"	36.948606
"1560810"	323.053906	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+K-2H"	36.948606
"957078"	331.103494	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-H+HCOOH"	44.998194
"371282"	617.208801	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+HCOOH-H"	44.998201
"352978"	631.224451	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+Hac-H"	59.013851
"1508251"	345.119151	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Hac-H"	59.013851
"970457"	353.085451	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-H+NaCOOH"	66.980151
"122279"	321.074702	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+2Cl"	69.938804
"562932"	464.127352	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+2Cl"	69.938804
"1035743"	178.022052	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2Cl"	69.938804
"1246207"	365.024185	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Br"	78.918885
"1308657"	367.080172	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Cl+HCOOH"	80.974872
"1322142"	389.062129	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Cl+NaCOOH"	102.956829
"913929"	399.090886	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M-H+CF3COOH"	112.985586
"1293918"	435.067564	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Cl+CF3COOH"	148.962264
"1372080"	251.092624	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H-2H2O"	-35.012676
"1384229"	269.1026	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H-H2O"	-17.0027
"292543"	573.217876	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+H"	1.007276
"682779"	859.323176	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+H"	1.007276
"1366059"	287.112576	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H"	1.007276
"140043"	287.112576	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+2H"	2.014552
"580580"	430.165226	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+2H"	2.014552
"1051204"	144.059926	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2H"	2.014552
"218500"	191.744142666667	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+3H"	3.021828
"658058"	287.112576	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+3H"	3.021828
"1177520"	96.3757093333333	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+3H"	3.021828
"437998"	590.244423	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+NH4"	18.033823
"796804"	876.349723	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+NH4"	18.033823
"1693135"	304.139123	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+NH4"	18.033823
"342507"	295.6258495	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+H+NH4"	19.041099
"731647"	438.6784995	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+H+NH4"	19.041099
"1482187"	152.5731995	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H+NH4"	19.041099
"401960"	595.199818	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+Na"	22.989218
"760768"	881.305118	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+Na"	22.989218
"1614700"	309.094518	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Na"	22.989218
"325464"	298.103547	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+H+Na"	23.996494
"718978"	441.156197	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+H+Na"	23.996494
"1469519"	155.050897	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H+Na"	23.996494
"1052918"	103.703023333333	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2H+Na"	25.00377
"1257885"	319.138786	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+CH3OH+H"	33.033486
"378032"	611.173758	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+K"	38.963158
"739393"	897.279058	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+K"	38.963158
"1541083"	325.068458	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+K"	38.963158
"300083"	306.090517	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+H+K"	39.970434
"696400"	449.143167	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+H+K"	39.970434
"1447665"	163.037867	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H+K"	39.970434
"241012"	614.244426	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+ACN+H"	42.033826
"1218461"	328.139126	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+ACN+H"	42.033826
"1204532"	164.573201	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+ACN+2H"	43.041102
"195214"	617.18176	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+2Na-H"	44.97116
"633680"	903.28706	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+2Na-H"	44.97116
"1132076"	331.07646	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2Na-H"	44.97116
"178655"	309.094518	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+2Na"	45.978436
"621132"	452.147168	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+2Na"	45.978436
"1124639"	166.041868	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2Na"	45.978436
"1408162"	111.030337333333	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H+2Na"	46.985712
"1439186"	333.118046	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H+HCOOH"	47.012746
"228879"	314.12754	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+3H2O+2H"	56.04448
"1518401"	347.17009	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+IsoProp+H"	61.06479
"418088"	317.081488	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+Na+K"	61.952376
"775800"	460.134138	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+Na+K"	61.952376
"1668127"	174.028838	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Na+K"	61.952376
"255376"	636.226368	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+ACN+Na"	64.015768
"1230636"	350.121068	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+ACN+Na"	64.015768
"1716241"	350.144593	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+NH4+HCOOH"	64.039293
"1181232"	118.357651333333	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+3Na"	68.967654
"1651126"	355.099988	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Na+HCOOH"	68.994688
"158719"	649.12964	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+2K-H"	76.91904
"601559"	935.23494	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+2K-H"	76.91904
"1085582"	363.02434	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2K-H"	76.91904
"141575"	325.068458	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"2M+2K"	77.926316
"581661"	468.121108	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"3M+2K"	77.926316
"1068976"	182.015808	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2K"	77.926316
"1103450"	365.038892	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2K+H"	78.933592
"1337402"	365.126507	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+DMSO+H"	79.021207
"1006050"	369.165676	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2ACN+H"	83.060376
"1529774"	370.159308	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+IsoProp+Na+H"	84.054008
"992943"	185.086476	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+2ACN+2H"	84.067652
"1598383"	371.073928	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+K+HCOOH"	84.968628
"1422950"	401.105438	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+H+CF3COOH"	115.000138
"1152144"	205.599751	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+3ACN+2H"	125.094202
"1701697"	418.131985	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+NH4+CF3COOH"	132.026685
"1635158"	423.08738	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+Na+CF3COOH"	136.98208
"1577373"	439.06132	"C01451"	"Salicin;Salicoside"	"C13H18O7"	"286.1053"	"M+K+CF3COOH"	152.95602
"807738"	180.0634	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M"	0
"987834"	161.04501	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"71700"	119.034990666667	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"512358"	179.056124	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"890155"	59.0138573333333	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"9825"	179.056124	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"443918"	269.087824	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"818439"	89.024424	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"80620"	359.119524	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"521272"	539.182924	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"897981"	179.056124	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"51264"	376.146071	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"488878"	556.209471	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"864734"	196.082671	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"32629"	381.101466	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"474994"	561.164866	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"853894"	201.038066	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1621238"	201.038066	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"97034"	197.044463	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"536594"	287.076163	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"929744"	107.012763	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"268058"	395.096202	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"661817"	575.159602	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1274219"	215.032802	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"16776"	397.075406	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"466192"	577.138806	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"840714"	217.012006	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1562013"	217.012006	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"952084"	225.061594	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"371392"	405.125001	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"348714"	419.140651	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1505575"	239.077251	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"968378"	247.043551	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"120565"	215.032802	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"561219"	305.064502	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1035121"	125.001102	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1246317"	258.982285	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1307673"	261.038272	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1321888"	283.020229	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"912944"	293.048986	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1292934"	329.025664	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1371096"	145.050724	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1384218"	163.0607	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"292653"	361.134076	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"683982"	541.197476	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1366167"	181.070676	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"138695"	181.070676	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"579715"	271.102376	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1049608"	91.038976	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"219577"	121.049542666667	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"658533"	181.070676	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1177628"	61.0284093333333	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"439765"	378.160623	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"800560"	558.224023	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1692150"	198.097223	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"342618"	189.5839495	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"731757"	279.6156495	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1482297"	99.5522495	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"402070"	383.116018	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"763065"	563.179418	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1613353"	203.052618	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"324480"	192.061647	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"719088"	282.093347	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1470722"	102.029947	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1053763"	68.3557233333333	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1260910"	213.096886	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"379119"	399.089958	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"740478"	579.153358	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1541802"	219.026558	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"300437"	200.048617	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"695781"	290.080317	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1447776"	110.016917	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"239662"	402.160626	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1216384"	222.097226	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1201362"	111.552251	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"194958"	405.09796	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"631601"	585.16136	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1132916"	225.03456	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"179492"	203.052618	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"617960"	293.084318	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1125841"	113.020918	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1408272"	75.6830373333333	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1439294"	227.076146	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"230082"	208.08564	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1518875"	241.12819	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"417832"	211.039588	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"781012"	301.071288	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1667873"	121.007888	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"254391"	424.142568	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1229287"	244.079168	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1715620"	244.102693	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1180243"	83.0103513333333	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1651721"	249.058088	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"159922"	437.04584	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"602762"	617.10924	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1086056"	256.98244	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"142135"	219.026558	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"581480"	309.058258	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1068804"	128.994858	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1104653"	258.996992	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1337027"	259.084607	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1006892"	263.123776	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1527695"	264.117408	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"993051"	132.065526	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1598493"	265.032028	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1424153"	295.063538	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1153347"	152.578801	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1701807"	312.090085	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1634372"	317.04548	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1577483"	333.01942	"C01452"	"Sorbose;xylo-Hexulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"807848"	198.1157	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M"	0
"986851"	179.09731	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-H2O-H"	-19.01839
"70717"	131.069857333333	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M-3H"	-3.021828
"512468"	197.108424	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M-3H"	-3.021828
"890269"	65.0312906666667	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-3H"	-3.021828
"6658"	197.108424	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M-2H"	-2.014552
"444029"	296.166274	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M-2H"	-2.014552
"818914"	98.050574	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-2H"	-2.014552
"80001"	395.224124	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M-H"	-1.007276
"521384"	593.339824	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M-H"	-1.007276
"898092"	197.108424	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-H"	-1.007276
"49188"	412.250671	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M-2H+NH4"	16.019271
"488867"	610.366371	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M-2H+NH4"	16.019271
"865574"	214.134971	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-2H+NH4"	16.019271
"32258"	417.206066	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M-2H+Na"	20.974666
"474376"	615.321766	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M-2H+Na"	20.974666
"852911"	219.090366	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-2H+Na"	20.974666
"1620984"	219.090366	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Na-2H"	20.974666
"97144"	215.096763	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M-H+Cl"	33.962126
"538532"	314.154613	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M-H+Cl"	33.962126
"929855"	116.038913	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-H+Cl"	33.962126
"268776"	431.200802	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+Cl"	34.969402
"662656"	629.316502	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+Cl"	34.969402
"1275787"	233.085102	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Cl"	34.969402
"17371"	433.180006	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M-2H+K"	36.948606
"466302"	631.295706	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M-2H+K"	36.948606
"840824"	235.064306	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-2H+K"	36.948606
"1562123"	235.064306	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+K-2H"	36.948606
"948914"	243.113894	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-H+HCOOH"	44.998194
"371502"	441.229601	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+HCOOH-H"	44.998201
"349917"	455.245251	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+Hac-H"	59.013851
"1508201"	257.129551	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Hac-H"	59.013851
"973717"	265.095851	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-H+NaCOOH"	66.980151
"125497"	233.085102	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+2Cl"	69.938804
"558048"	332.142952	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+2Cl"	69.938804
"1034500"	134.027252	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2Cl"	69.938804
"1246427"	277.034585	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Br"	78.918885
"1306687"	279.090572	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Cl+HCOOH"	80.974872
"1325277"	301.072529	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Cl+NaCOOH"	102.956829
"913419"	311.101286	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M-H+CF3COOH"	112.985586
"1290856"	347.077964	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Cl+CF3COOH"	148.962264
"1367925"	163.103024	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H-2H2O"	-35.012676
"1384328"	181.113	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H-H2O"	-17.0027
"292763"	397.238676	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+H"	1.007276
"684092"	595.354376	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+H"	1.007276
"1364822"	199.122976	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H"	1.007276
"136980"	199.122976	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+2H"	2.014552
"574721"	298.180826	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+2H"	2.014552
"1046802"	100.065126	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2H"	2.014552
"217255"	133.084409333333	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+3H"	3.021828
"656453"	199.122976	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+3H"	3.021828
"1176764"	67.0458426666667	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+3H"	3.021828
"439673"	414.265223	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+NH4"	18.033823
"795929"	612.380923	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+NH4"	18.033823
"1694447"	216.149523	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+NH4"	18.033823
"342727"	207.6362495	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+H+NH4"	19.041099
"729680"	306.6940995	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+H+NH4"	19.041099
"1485688"	108.5783995	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H+NH4"	19.041099
"398900"	419.220618	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+Na"	22.989218
"763176"	617.336318	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+Na"	22.989218
"1605808"	221.104918	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Na"	22.989218
"325684"	210.113947	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+H+Na"	23.996494
"718834"	309.171797	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+H+Na"	23.996494
"1469738"	111.056097	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H+Na"	23.996494
"1054239"	74.3731566666667	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2H+Na"	25.00377
"1262478"	231.149186	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+CH3OH+H"	33.033486
"380323"	435.194558	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+K"	38.963158
"745328"	633.310258	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+K"	38.963158
"1544100"	237.078858	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+K"	38.963158
"302370"	218.100917	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+H+K"	39.970434
"696620"	317.158767	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+H+K"	39.970434
"1446793"	119.043067	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H+K"	39.970434
"240503"	438.265226	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+ACN+H"	42.033826
"1216494"	240.149526	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+ACN+H"	42.033826
"1201472"	120.578401	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+ACN+2H"	43.041102
"195436"	441.20256	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+2Na-H"	44.97116
"636089"	639.31826	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+2Na-H"	44.97116
"1133760"	243.08686	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2Na-H"	44.97116
"181792"	221.104918	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+2Na"	45.978436
"620258"	320.162768	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+2Na"	45.978436
"1127046"	122.047068	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2Na"	45.978436
"1408382"	81.7004706666667	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H+2Na"	46.985712
"1439404"	245.128446	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H+HCOOH"	47.012746
"230192"	226.13794	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+3H2O+2H"	56.04448
"1518255"	259.18049	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+IsoProp+H"	61.06479
"417941"	229.091888	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+Na+K"	61.952376
"782215"	328.149738	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+Na+K"	61.952376
"1673086"	130.034038	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Na+K"	61.952376
"256325"	460.247168	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+ACN+Na"	64.015768
"1230127"	262.131468	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+ACN+Na"	64.015768
"1714639"	262.154993	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+NH4+HCOOH"	64.039293
"1180352"	89.0277846666667	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+3Na"	68.967654
"1652559"	267.110388	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Na+HCOOH"	68.994688
"163312"	473.15044	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+2K-H"	76.91904
"603965"	671.26614	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+2K-H"	76.91904
"1087018"	275.03474	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2K-H"	76.91904
"141559"	237.078858	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"2M+2K"	77.926316
"581567"	336.136708	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"3M+2K"	77.926316
"1069363"	138.021008	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2K"	77.926316
"1103670"	277.049292	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2K+H"	78.933592
"1336285"	277.136907	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+DMSO+H"	79.021207
"1007611"	281.176076	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2ACN+H"	83.060376
"1527808"	282.169708	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+IsoProp+Na+H"	84.054008
"994256"	141.091676	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+2ACN+2H"	84.067652
"1598239"	283.084328	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+K+HCOOH"	84.968628
"1427908"	313.115838	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+H+CF3COOH"	115.000138
"1153457"	161.604951	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+3ACN+2H"	125.094202
"1701917"	330.142385	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+NH4+CF3COOH"	132.026685
"1634226"	335.09778	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+Na+CF3COOH"	136.98208
"1577593"	351.07172	"C01453"	"Tacrine"	"C13H14N2"	"198.1157"	"M+K+CF3COOH"	152.95602
"811238"	136.0524	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M"	0
"986961"	117.03401	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"69734"	89.694324	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"509296"	135.045124	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"889285"	44.343524	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"4580"	135.045124	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"445234"	203.071324	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"821211"	67.018924	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"80473"	271.097524	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"520397"	407.149924	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"898928"	135.045124	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"48931"	288.124071	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"488854"	424.176471	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"864354"	152.071671	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"33461"	293.079466	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"471645"	429.131866	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"853384"	157.027066	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1621822"	157.027066	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"96159"	153.033463	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"537178"	221.059663	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"929968"	85.007263	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"268519"	307.074202	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"661308"	443.126602	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1275897"	171.021802	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"17358"	309.053406	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"470302"	445.105806	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"843121"	173.001006	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1562233"	173.001006	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"954491"	181.050594	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"371612"	317.103001	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"346748"	331.118651	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1508029"	195.066251	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"972852"	203.032551	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"122973"	171.021802	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"561438"	239.048002	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1034610"	102.995602	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1247631"	214.971285	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1308984"	217.027272	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1323201"	239.009229	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"912799"	249.037986	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1288899"	285.014664	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1368035"	101.039724	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1384438"	119.0497	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"292873"	273.112076	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"680921"	409.164476	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1364931"	137.059676	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"134538"	137.059676	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"577019"	205.085876	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1046548"	69.033476	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"217729"	91.708876	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"654740"	137.059676	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1168491"	46.358076	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"438445"	290.138623	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"797861"	426.191023	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1693464"	154.086223	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"338463"	145.5729495	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"727602"	213.5991495	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1482518"	77.5467495	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"397550"	295.094018	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"760004"	431.146418	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1613571"	159.041618	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"324700"	148.050647	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"716029"	216.076847	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1466568"	80.024447	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1054714"	53.68539	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1261129"	169.085886	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"377880"	311.067958	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"738630"	447.120358	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1542022"	175.015558	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"300293"	156.037617	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"693814"	224.063817	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1447633"	88.011417	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"238060"	314.138626	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1212958"	178.086226	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1197936"	89.546751	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"194451"	317.07596	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"637292"	453.12836	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1133141"	181.02356	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"179716"	159.041618	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"620368"	227.067818	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1123875"	91.015418	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1407398"	61.012704	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1432101"	183.065146	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"228116"	164.07464	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1516178"	197.11719	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"416958"	167.028588	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"781961"	235.054788	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1668456"	99.002388	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"253879"	336.120568	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1226584"	200.068168	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1714379"	200.091693	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1178677"	68.340018	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1651451"	205.047088	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"162328"	349.02384	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"598607"	485.07624	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1088951"	212.97144	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"141540"	175.015558	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"581503"	243.041758	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1069962"	106.989358	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1101957"	214.985992	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1335706"	215.073607	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1006628"	219.112776	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1531197"	220.106408	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"994364"	110.060026	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1599807"	221.021028	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1428018"	251.052538	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1153567"	130.573301	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1705307"	268.079085	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1635489"	273.03448	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1577703"	289.00842	"C01454"	"Toluate;p-Toluate;p-Toluic acid;4-Methylbenzoic acid;Toluenecarboxylic acid;Crithminic acid"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"808068"	92.0626	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M"	0
"987071"	73.04421	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-H2O-H"	-19.01839
"72030"	60.3677906666667	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M-3H"	-3.021828
"514872"	91.055324	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M-3H"	-3.021828
"891582"	29.6802573333333	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-3H"	-3.021828
"9062"	91.055324	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M-2H"	-2.014552
"446438"	137.086624	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M-2H"	-2.014552
"824238"	45.024024	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-2H"	-2.014552
"81313"	183.117924	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M-H"	-1.007276
"520872"	275.180524	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M-H"	-1.007276
"898675"	91.055324	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-H"	-1.007276
"51590"	200.144471	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M-2H+NH4"	16.019271
"493337"	292.207071	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M-2H+NH4"	16.019271
"865793"	108.081871	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-2H+NH4"	16.019271
"32600"	205.099866	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M-2H+Na"	20.974666
"473500"	297.162466	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M-2H+Na"	20.974666
"853128"	113.037266	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-2H+Na"	20.974666
"1624117"	113.037266	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Na-2H"	20.974666
"97002"	109.043663	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M-H+Cl"	33.962126
"538019"	155.074963	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M-H+Cl"	33.962126
"928983"	63.012363	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-H+Cl"	33.962126
"268634"	219.094602	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+Cl"	34.969402
"661541"	311.157202	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+Cl"	34.969402
"1275284"	127.032002	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Cl"	34.969402
"17472"	221.073806	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M-2H+K"	36.948606
"468710"	313.136406	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M-2H+K"	36.948606
"843231"	129.011206	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-2H+K"	36.948606
"1562343"	129.011206	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+K-2H"	36.948606
"954601"	137.060794	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-H+HCOOH"	44.998194
"368442"	229.123401	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+HCOOH-H"	44.998201
"350137"	243.139051	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+Hac-H"	59.013851
"1508419"	151.076451	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Hac-H"	59.013851
"973814"	159.042751	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-H+NaCOOH"	66.980151
"121987"	127.032002	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+2Cl"	69.938804
"559362"	173.063302	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+2Cl"	69.938804
"1024880"	81.000702	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2Cl"	69.938804
"1244461"	170.981485	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Br"	78.918885
"1309094"	173.037472	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Cl+HCOOH"	80.974872
"1323311"	195.019429	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Cl+NaCOOH"	102.956829
"912909"	205.048186	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M-H+CF3COOH"	112.985586
"1289982"	241.024864	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Cl+CF3COOH"	148.962264
"1368145"	57.049924	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H-2H2O"	-35.012676
"1385641"	75.0599	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H-H2O"	-17.0027
"294075"	185.132476	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+H"	1.007276
"689777"	277.195076	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+H"	1.007276
"1364678"	93.069876	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H"	1.007276
"132461"	93.069876	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+2H"	2.014552
"576401"	139.101176	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+2H"	2.014552
"1046658"	47.038576	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2H"	2.014552
"216746"	62.3823426666667	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+3H"	3.021828
"655944"	93.069876	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+3H"	3.021828
"1174797"	31.6948093333333	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+3H"	3.021828
"438070"	202.159023	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+NH4"	18.033823
"795784"	294.221623	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+NH4"	18.033823
"1691388"	110.096423	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+NH4"	18.033823
"335293"	101.5831495	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+H+NH4"	19.041099
"729900"	147.6144495	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+H+NH4"	19.041099
"1481535"	55.5518495	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H+NH4"	19.041099
"398025"	207.114418	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+Na"	22.989218
"762300"	299.177018	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+Na"	22.989218
"1613680"	115.051818	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Na"	22.989218
"324815"	104.060847	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+H+Na"	23.996494
"716137"	150.092147	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+H+Na"	23.996494
"1468865"	58.029547	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H+Na"	23.996494
"1055554"	39.0221233333333	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2H+Na"	25.00377
"1264885"	125.096086	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+CH3OH+H"	33.033486
"381272"	223.088358	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+K"	38.963158
"741537"	315.150958	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+K"	38.963158
"1545413"	131.025758	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+K"	38.963158
"301496"	112.047817	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+H+K"	39.970434
"692463"	158.079117	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+H+K"	39.970434
"1445795"	66.016517	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H+K"	39.970434
"239266"	226.159026	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+ACN+H"	42.033826
"1215622"	134.096426	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+ACN+H"	42.033826
"1201691"	67.551851	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+ACN+2H"	43.041102
"194562"	229.09636	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+2Na-H"	44.97116
"638496"	321.15896	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+2Na-H"	44.97116
"1133980"	137.03376	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2Na-H"	44.97116
"182012"	115.051818	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+2Na"	45.978436
"625947"	161.083118	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+2Na"	45.978436
"1125079"	69.020518	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2Na"	45.978436
"1407508"	46.3494373333333	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H+2Na"	46.985712
"1434157"	139.075346	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H+HCOOH"	47.012746
"230412"	120.08484	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+3H2O+2H"	56.04448
"1517381"	153.12739	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+IsoProp+H"	61.06479
"418162"	123.038788	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+Na+K"	61.952376
"781343"	169.070088	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+Na+K"	61.952376
"1670024"	77.007488	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Na+K"	61.952376
"256542"	248.140968	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+ACN+Na"	64.015768
"1226453"	156.078368	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+ACN+Na"	64.015768
"1714490"	156.101893	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+NH4+HCOOH"	64.039293
"1179030"	53.6767513333333	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+3Na"	68.967654
"1650833"	161.057288	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Na+HCOOH"	68.994688
"157695"	261.04424	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+2K-H"	76.91904
"601995"	353.10684	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+2K-H"	76.91904
"1088697"	168.98164	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2K-H"	76.91904
"141619"	131.025758	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"2M+2K"	77.926316
"581619"	177.057058	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"3M+2K"	77.926316
"1069587"	84.994458	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2K"	77.926316
"1102796"	170.996192	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2K+H"	78.933592
"1336993"	171.083807	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+DMSO+H"	79.021207
"1007710"	175.122976	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2ACN+H"	83.060376
"1533493"	176.116608	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+IsoProp+Na+H"	84.054008
"995567"	88.065126	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+2ACN+2H"	84.067652
"1598823"	177.031228	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+K+HCOOH"	84.968628
"1420108"	207.062738	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+H+CF3COOH"	115.000138
"1152584"	108.578401	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+3ACN+2H"	125.094202
"1705417"	224.089285	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+NH4+CF3COOH"	132.026685
"1634626"	229.04468	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+Na+CF3COOH"	136.98208
"1577813"	245.01862	"C01455"	"Toluene;Methylbenzene;Toluol"	"C7H8"	"92.0626"	"M+K+CF3COOH"	152.95602
"808178"	166.063	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M"	0
"983899"	147.04461	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"69954"	109.701390666667	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"513889"	165.055724	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"891692"	54.3470573333333	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"8079"	165.055724	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"447641"	248.087224	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"825441"	82.024224	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"82517"	331.118724	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"522805"	497.181724	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"898053"	165.055724	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"49026"	348.145271	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"491261"	514.208271	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"866146"	182.082271	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"33803"	353.100666	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"473001"	519.163666	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"853238"	187.037666	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1619854"	187.037666	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"97476"	183.044063	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"538494"	266.075563	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"932009"	100.012563	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"269109"	367.095402	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"661167"	533.158402	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1274662"	201.032402	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"18676"	369.074606	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"467726"	535.137606	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"840061"	203.011606	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1560266"	203.011606	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"954711"	211.061194	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"368552"	377.124201	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"347087"	391.139851	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1508167"	225.076851	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"972835"	233.043151	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"124894"	201.032402	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"557286"	284.063902	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1028271"	118.000902	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1245664"	244.981885	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1310299"	247.037872	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1325607"	269.019829	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"915571"	279.048586	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1290092"	315.025264	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1370442"	131.050324	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1386845"	149.0603	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"295279"	333.133276	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"684421"	499.196276	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1365514"	167.070276	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H"	1.007276
"129290"	167.070276	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"576508"	250.101776	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1049321"	84.038776	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"216492"	111.715942666667	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"658246"	167.070276	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1176733"	56.3616093333333	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"438787"	350.159823	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"798079"	516.222823	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1692586"	184.096823	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"335403"	175.5835495	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"730010"	258.6150495	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1483831"	92.5520495	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"400322"	355.115218	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"760223"	521.178218	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1611603"	189.052218	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"322736"	178.061247	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"714060"	261.092747	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1468975"	95.029747	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1060037"	63.6889233333333	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1265725"	199.096486	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"381382"	371.089158	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"741647"	537.152158	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1545523"	205.026158	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+K"	38.963158
"302701"	186.048217	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"692210"	269.079717	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1446757"	103.016717	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"238648"	374.159826	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1216824"	208.096826	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1200707"	104.552051	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"194673"	377.09716	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"637513"	543.16016	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1138831"	211.03416	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"182122"	189.052218	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"624965"	272.083718	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1127375"	106.020718	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1406525"	71.0162373333333	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1431351"	213.075746	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"227242"	194.08524	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1515304"	227.12779	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"419365"	197.039188	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"783639"	280.070688	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1670134"	114.007688	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"253736"	396.141768	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1226446"	230.078768	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1714602"	230.102293	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1178980"	78.3435513333333	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1650333"	235.057688	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"157602"	409.04504	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"599918"	575.10804	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1084346"	242.98204	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"141649"	205.026158	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"581483"	288.057658	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1070790"	121.994658	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1102906"	244.996592	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1337466"	245.084207	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1006848"	249.123376	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1533603"	250.117008	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"997864"	125.065326	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1597838"	251.031628	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1419125"	281.063138	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1152694"	145.578601	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1705527"	298.089685	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1635709"	303.04508	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1577923"	319.01902	"C01456"	"Tropate;Tropic acid;alpha-(Hydroxymethyl)phenylacetic acid"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"812663"	915.5192	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M"	0
"980729"	896.50081	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-H2O-H"	-19.01839
"68971"	609.338857333333	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M-3H"	-3.021828
"516917"	914.511924	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M-3H"	-3.021828
"893867"	304.165790666667	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-3H"	-3.021828
"8188"	914.511924	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M-2H"	-2.014552
"453948"	1372.271524	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M-2H"	-2.014552
"825552"	456.752324	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-2H"	-2.014552
"85543"	1830.031124	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M-H"	-1.007276
"524013"	2745.550324	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M-H"	-1.007276
"901083"	914.511924	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-H"	-1.007276
"50355"	1847.057671	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M-2H+NH4"	16.019271
"490278"	2762.576871	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M-2H+NH4"	16.019271
"866501"	931.538471	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-2H+NH4"	16.019271
"37074"	1852.013066	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M-2H+Na"	20.974666
"473111"	2767.532266	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M-2H+Na"	20.974666
"854444"	936.493866	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-2H+Na"	20.974666
"1624702"	936.493866	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Na-2H"	20.974666
"101597"	932.500263	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M-H+Cl"	33.962126
"540064"	1390.259863	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M-H+Cl"	33.962126
"934670"	474.740663	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-H+Cl"	33.962126
"270311"	1866.007802	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+Cl"	34.969402
"663462"	2781.527002	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+Cl"	34.969402
"1276958"	950.488602	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Cl"	34.969402
"18056"	1867.987006	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M-2H+K"	36.948606
"468565"	2783.506206	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M-2H+K"	36.948606
"841263"	952.467806	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-2H+K"	36.948606
"1560376"	952.467806	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+K-2H"	36.948606
"952634"	960.517394	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-H+HCOOH"	44.998194
"369754"	1876.036601	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+HCOOH-H"	44.998201
"351449"	1890.052251	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+Hac-H"	59.013851
"1508349"	974.533051	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Hac-H"	59.013851
"973798"	982.499351	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-H+NaCOOH"	66.980151
"125682"	950.488602	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+2Cl"	69.938804
"562863"	1408.248202	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+2Cl"	69.938804
"1030568"	492.729002	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2Cl"	69.938804
"1246868"	994.438085	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Br"	78.918885
"1313688"	996.494072	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Cl+HCOOH"	80.974872
"1326809"	1018.476029	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Cl+NaCOOH"	102.956829
"917868"	1028.504786	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M-H+CF3COOH"	112.985586
"1297856"	1064.481464	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Cl+CF3COOH"	148.962264
"1373832"	880.506524	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H-2H2O"	-35.012676
"1390235"	898.5165	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H-H2O"	-17.0027
"295025"	1832.045676	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+H"	1.007276
"689269"	2747.564876	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+H"	1.007276
"1364165"	916.526476	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H"	1.007276
"130493"	916.526476	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+2H"	2.014552
"577349"	1374.286076	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+2H"	2.014552
"1047971"	458.766876	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2H"	2.014552
"217331"	611.353409333333	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+3H"	3.021828
"658716"	916.526476	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+3H"	3.021828
"1174653"	306.180342666667	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+3H"	3.021828
"434278"	1849.072223	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+NH4"	18.033823
"790900"	2764.591423	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+NH4"	18.033823
"1689417"	933.553023	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+NH4"	18.033823
"335513"	925.0397495	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+H+NH4"	19.041099
"733402"	1382.7993495	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+H+NH4"	19.041099
"1482848"	467.2801495	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H+NH4"	19.041099
"402620"	1854.027618	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+Na"	22.989218
"765801"	2769.546818	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+Na"	22.989218
"1609529"	938.508418	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Na"	22.989218
"320660"	927.517447	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+H+Na"	23.996494
"715265"	1385.277047	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+H+Na"	23.996494
"1469085"	469.757847	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H+Na"	23.996494
"1055775"	313.507656666667	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2H+Na"	25.00377
"1264015"	948.552686	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+CH3OH+H"	33.033486
"384774"	1870.001558	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+K"	38.963158
"747955"	2785.520758	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+K"	38.963158
"1544540"	954.482358	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+K"	38.963158
"302810"	935.504417	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+H+K"	39.970434
"694144"	1393.264017	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+H+K"	39.970434
"1449421"	477.744817	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H+K"	39.970434
"245317"	1873.072226	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+ACN+H"	42.033826
"1219121"	957.553026	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+ACN+H"	42.033826
"1206284"	479.280151	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+ACN+2H"	43.041102
"196968"	1876.00956	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+2Na-H"	44.97116
"639809"	2791.52876	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+2Na-H"	44.97116
"1146110"	960.49036	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2Na-H"	44.97116
"185513"	938.508418	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+2Na"	45.978436
"625803"	1396.268018	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+2Na"	45.978436
"1126393"	480.748818	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2Na"	45.978436
"1407728"	320.834970666667	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H+2Na"	46.985712
"1439845"	962.531946	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H+HCOOH"	47.012746
"228445"	943.54144	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+3H2O+2H"	56.04448
"1519788"	976.58399	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+IsoProp+H"	61.06479
"422755"	946.495388	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+Na+K"	61.952376
"782655"	1404.254988	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+Na+K"	61.952376
"1671338"	488.735788	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Na+K"	61.952376
"256763"	1895.054168	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+ACN+Na"	64.015768
"1228380"	979.534968	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+ACN+Na"	64.015768
"1715807"	979.558493	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+NH4+HCOOH"	64.039293
"1180433"	328.162284666667	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+3Na"	68.967654
"1651420"	984.513888	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Na+HCOOH"	68.994688
"162654"	1907.95744	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+2K-H"	76.91904
"598569"	2823.47664	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+2K-H"	76.91904
"1084655"	992.43824	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2K-H"	76.91904
"141953"	954.482358	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"2M+2K"	77.926316
"581756"	1412.241958	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"3M+2K"	77.926316
"1071993"	496.722758	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2K"	77.926316
"1103016"	994.452792	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2K+H"	78.933592
"1337213"	994.540407	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+DMSO+H"	79.021207
"1007201"	998.579576	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2ACN+H"	83.060376
"1532620"	999.573208	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+IsoProp+Na+H"	84.054008
"1001256"	499.793426	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+2ACN+2H"	84.067652
"1595762"	1000.487828	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+K+HCOOH"	84.968628
"1422515"	1030.519338	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+H+CF3COOH"	115.000138
"1152803"	520.306701	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+3ACN+2H"	125.094202
"1699075"	1047.545885	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+NH4+CF3COOH"	132.026685
"1636912"	1052.50128	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+Na+CF3COOH"	136.98208
"1578033"	1068.47522	"C01457"	"Tylosin"	"C46H77NO17"	"915.5192"	"M+K+CF3COOH"	152.95602
"813866"	209.1052	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M"	0
"988494"	190.08681	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-H2O-H"	-19.01839
"67986"	138.396190666667	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M-3H"	-3.021828
"514112"	208.097924	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M-3H"	-3.021828
"889726"	68.6944573333333	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-3H"	-3.021828
"8298"	208.097924	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M-2H"	-2.014552
"447862"	312.650524	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M-2H"	-2.014552
"824567"	103.545324	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-2H"	-2.014552
"82370"	417.203124	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M-H"	-1.007276
"523024"	626.308324	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M-H"	-1.007276
"898641"	208.097924	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-H"	-1.007276
"49735"	434.229671	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M-2H+NH4"	16.019271
"490752"	643.334871	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M-2H+NH4"	16.019271
"865517"	225.124471	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-2H+NH4"	16.019271
"33296"	439.185066	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M-2H+Na"	20.974666
"472369"	648.290266	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M-2H+Na"	20.974666
"854553"	230.079866	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-2H+Na"	20.974666
"1622990"	230.079866	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Na-2H"	20.974666
"99155"	226.086263	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M-H+Cl"	33.962126
"536893"	330.638863	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M-H+Cl"	33.962126
"931136"	121.533663	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-H+Cl"	33.962126
"268355"	453.179802	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+Cl"	34.969402
"662114"	662.285002	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+Cl"	34.969402
"1274154"	244.074602	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Cl"	34.969402
"17437"	455.159006	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M-2H+K"	36.948606
"467582"	664.264206	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M-2H+K"	36.948606
"842466"	246.053806	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-2H+K"	36.948606
"1561579"	246.053806	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+K-2H"	36.948606
"954930"	254.103394	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-H+HCOOH"	44.998194
"369864"	463.208601	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+HCOOH-H"	44.998201
"351559"	477.224251	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+Hac-H"	59.013851
"1508065"	268.119051	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Hac-H"	59.013851
"973420"	276.085351	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-H+NaCOOH"	66.980151
"125484"	244.074602	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+2Cl"	69.938804
"565486"	348.627202	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+2Cl"	69.938804
"1032864"	139.522002	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2Cl"	69.938804
"1248068"	288.024085	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Br"	78.918885
"1312704"	290.080072	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Cl+HCOOH"	80.974872
"1323639"	312.062029	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Cl+NaCOOH"	102.956829
"916885"	322.090786	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M-H+CF3COOH"	112.985586
"1292499"	358.067464	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Cl+CF3COOH"	148.962264
"1373942"	174.092524	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H-2H2O"	-35.012676
"1391438"	192.1025	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H-H2O"	-17.0027
"296592"	419.217676	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+H"	1.007276
"689743"	628.322876	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+H"	1.007276
"1363180"	210.112476	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H"	1.007276
"129510"	210.112476	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+2H"	2.014552
"578552"	314.665076	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+2H"	2.014552
"1046622"	105.559876	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2H"	2.014552
"217439"	140.410742666667	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+3H"	3.021828
"654816"	210.112476	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+3H"	3.021828
"1172211"	70.7090093333333	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+3H"	3.021828
"434388"	436.244223	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+NH4"	18.033823
"792103"	645.349423	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+NH4"	18.033823
"1689527"	227.139023	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+NH4"	18.033823
"337810"	218.6257495	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+H+NH4"	19.041099
"729138"	323.1783495	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+H+NH4"	19.041099
"1480041"	114.0731495	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H+NH4"	19.041099
"397262"	441.199618	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+Na"	22.989218
"762631"	650.304818	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+Na"	22.989218
"1610733"	232.094418	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Na"	22.989218
"320768"	221.103447	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+H+Na"	23.996494
"714281"	325.656047	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+H+Na"	23.996494
"1461731"	116.550847	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H+Na"	23.996494
"1053820"	78.0363233333333	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2H+Na"	25.00377
"1263031"	242.138686	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+CH3OH+H"	33.033486
"384887"	457.173558	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+K"	38.963158
"743694"	666.278758	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+K"	38.963158
"1545745"	248.068358	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+K"	38.963158
"302922"	229.090417	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+H+K"	39.970434
"695347"	333.643017	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+H+K"	39.970434
"1448800"	124.537817	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H+K"	39.970434
"239959"	460.244226	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+ACN+H"	42.033826
"1213762"	251.139026	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+ACN+H"	42.033826
"1203113"	126.073151	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+ACN+2H"	43.041102
"198171"	463.18156	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+2Na-H"	44.97116
"639919"	672.28676	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+2Na-H"	44.97116
"1144518"	254.07636	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2Na-H"	44.97116
"184528"	232.094418	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+2Na"	45.978436
"627007"	336.647018	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+2Na"	45.978436
"1127596"	127.541818	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2Na"	45.978436
"1411119"	85.3636373333333	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H+2Na"	46.985712
"1439953"	256.117946	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H+HCOOH"	47.012746
"228556"	237.12744	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+3H2O+2H"	56.04448
"1516617"	270.16999	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+IsoProp+H"	61.06479
"422865"	240.081388	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+Na+K"	61.952376
"780578"	344.633988	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+Na+K"	61.952376
"1668532"	135.528788	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Na+K"	61.952376
"256873"	482.226168	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+ACN+Na"	64.015768
"1229218"	273.120968	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+ACN+Na"	64.015768
"1714824"	273.144493	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+NH4+HCOOH"	64.039293
"1181636"	92.6909513333333	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+3Na"	68.967654
"1652987"	278.099888	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Na+HCOOH"	68.994688
"162764"	495.12944	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+2K-H"	76.91904
"603419"	704.23464	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+2K-H"	76.91904
"1085007"	286.02424	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2K-H"	76.91904
"141823"	248.068358	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"2M+2K"	77.926316
"581871"	352.620958	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"3M+2K"	77.926316
"1073196"	143.515758	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2K"	77.926316
"1104219"	288.038792	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2K+H"	78.933592
"1339509"	288.126407	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+DMSO+H"	79.021207
"1008041"	292.165576	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2ACN+H"	83.060376
"1534916"	293.159208	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+IsoProp+Na+H"	84.054008
"1000272"	146.586426	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+2ACN+2H"	84.067652
"1592591"	294.073828	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+K+HCOOH"	84.968628
"1422625"	324.105338	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+H+CF3COOH"	115.000138
"1152912"	167.099701	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+3ACN+2H"	125.094202
"1706840"	341.131885	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+NH4+CF3COOH"	132.026685
"1638116"	346.08728	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+Na+CF3COOH"	136.98208
"1578143"	362.06122	"C01458"	"Tyr-OEt"	"C11H15NO3"	"209.1052"	"M+K+CF3COOH"	152.95602
"808508"	432.1056	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M"	0
"987511"	413.08721	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H2O-H"	-19.01839
"67003"	287.063124	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-3H"	-3.021828
"514222"	431.098324	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-3H"	-3.021828
"892022"	143.027924	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-3H"	-3.021828
"7315"	431.098324	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H"	-2.014552
"447972"	647.151124	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H"	-2.014552
"822491"	215.045524	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H"	-2.014552
"83574"	863.203924	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-H"	-1.007276
"525322"	1295.309524	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-H"	-1.007276
"898021"	431.098324	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H"	-1.007276
"48751"	880.230471	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+NH4"	16.019271
"488676"	1312.336071	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+NH4"	16.019271
"865750"	448.124871	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+NH4"	16.019271
"32313"	885.185866	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+Na"	20.974666
"471710"	1317.291466	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+Na"	20.974666
"854663"	453.080266	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+Na"	20.974666
"1620914"	453.080266	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na-2H"	20.974666
"97808"	449.086663	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-H+Cl"	33.962126
"534326"	665.139463	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-H+Cl"	33.962126
"934892"	233.033863	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+Cl"	33.962126
"267246"	899.180602	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Cl"	34.969402
"660768"	1331.286202	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Cl"	34.969402
"1273533"	467.075002	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl"	34.969402
"16212"	901.159806	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+K"	36.948606
"467328"	1333.265406	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+K"	36.948606
"843669"	469.054206	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+K"	36.948606
"1561689"	469.054206	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K-2H"	36.948606
"945197"	477.103794	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+HCOOH"	44.998194
"373254"	909.209401	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+HCOOH-H"	44.998201
"351670"	923.225051	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Hac-H"	59.013851
"1508172"	491.119451	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Hac-H"	59.013851
"973642"	499.085751	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+NaCOOH"	66.980151
"125435"	467.075002	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Cl"	69.938804
"564994"	683.127802	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Cl"	69.938804
"1036828"	251.022202	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Cl"	69.938804
"1248178"	511.024485	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Br"	78.918885
"1315001"	513.080472	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+HCOOH"	80.974872
"1323749"	535.062429	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+NaCOOH"	102.956829
"920275"	545.091186	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+CF3COOH"	112.985586
"1292609"	581.067864	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+CF3COOH"	148.962264
"1371865"	397.092924	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H-2H2O"	-35.012676
"1390455"	415.1029	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H-H2O"	-17.0027
"296702"	865.218476	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H"	1.007276
"690219"	1297.324076	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H"	1.007276
"1362926"	433.112876	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H"	1.007276
"129985"	433.112876	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2H"	2.014552
"579028"	649.165676	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2H"	2.014552
"1048555"	217.060076	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2H"	2.014552
"216821"	289.077676	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+3H"	3.021828
"656018"	433.112876	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+3H"	3.021828
"1166852"	145.042476	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+3H"	3.021828
"427937"	882.245023	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+NH4"	18.033823
"791120"	1314.350623	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+NH4"	18.033823
"1689636"	450.139423	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4"	18.033823
"332813"	441.6261495	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+NH4"	19.041099
"729243"	657.6789495	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+NH4"	19.041099
"1481241"	225.5733495	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+NH4"	19.041099
"398465"	887.200418	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Na"	22.989218
"758367"	1319.306018	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Na"	22.989218
"1608655"	455.094818	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na"	22.989218
"321971"	444.103847	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+Na"	23.996494
"710017"	660.156647	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+Na"	23.996494
"1461513"	228.051047	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+Na"	23.996494
"1053810"	152.36979	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2H+Na"	25.00377
"1259133"	465.139086	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+CH3OH+H"	33.033486
"381718"	903.174358	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+K"	38.963158
"744898"	1335.279958	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+K"	38.963158
"1543669"	471.068758	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K"	38.963158
"301210"	452.090817	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+K"	39.970434
"696551"	668.143617	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+K"	39.970434
"1448911"	236.038017	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+K"	39.970434
"237883"	906.245026	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+ACN+H"	42.033826
"1213872"	474.139426	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+H"	42.033826
"1199943"	237.573351	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+2H"	43.041102
"199375"	909.18236	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Na-H"	44.97116
"642216"	1341.28796	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Na-H"	44.97116
"1143535"	477.07676	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Na-H"	44.97116
"182452"	455.094818	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Na"	45.978436
"625295"	671.147618	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Na"	45.978436
"1126612"	239.042018	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Na"	45.978436
"1406856"	159.697104	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+2Na"	46.985712
"1440063"	479.118346	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+HCOOH"	47.012746
"229760"	460.12784	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+3H2O+2H"	56.04448
"1518914"	493.17039	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+IsoProp+H"	61.06479
"418601"	463.081788	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Na+K"	61.952376
"780689"	679.134588	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Na+K"	61.952376
"1667548"	247.028988	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+K"	61.952376
"256983"	928.226968	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+ACN+Na"	64.015768
"1227870"	496.121368	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+Na"	64.015768
"1720766"	496.144893	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4+HCOOH"	64.039293
"1181746"	167.024418	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+3Na"	68.967654
"1652732"	501.100288	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+HCOOH"	68.994688
"159594"	941.13024	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2K-H"	76.91904
"600248"	1373.23584	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2K-H"	76.91904
"1084546"	509.02464	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K-H"	76.91904
"142055"	471.068758	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2K"	77.926316
"581773"	687.121558	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2K"	77.926316
"1071117"	255.015958	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K"	77.926316
"1104326"	511.039192	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K+H"	78.933592
"1339983"	511.126807	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+DMSO+H"	79.021207
"1008151"	515.165976	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2ACN+H"	83.060376
"1535026"	516.159608	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+IsoProp+Na+H"	84.054008
"1002568"	258.086626	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2ACN+2H"	84.067652
"1597074"	517.074228	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K+HCOOH"	84.968628
"1422735"	547.105738	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+CF3COOH"	115.000138
"1153022"	278.599901	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+3ACN+2H"	125.094202
"1706950"	564.132285	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4+CF3COOH"	132.026685
"1638226"	569.08768	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+CF3COOH"	136.98208
"1578253"	585.06162	"C01460"	"Vitexin;Apigenin 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K+CF3COOH"	152.95602
"808618"	182.0732	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M"	0
"987257"	163.05481	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-H2O-H"	-19.01839
"68207"	120.374857333333	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M-3H"	-3.021828
"512144"	181.065924	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M-3H"	-3.021828
"892132"	59.6837906666667	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-3H"	-3.021828
"8518"	181.065924	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M-2H"	-2.014552
"448081"	272.102524	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M-2H"	-2.014552
"822600"	90.029324	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-2H"	-2.014552
"84778"	363.139124	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M-H"	-1.007276
"527619"	545.212324	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M-H"	-1.007276
"897038"	181.065924	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-H"	-1.007276
"50318"	380.165671	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M-2H+NH4"	16.019271
"490974"	562.238871	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M-2H+NH4"	16.019271
"868046"	198.092471	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-2H+NH4"	16.019271
"33761"	385.121066	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M-2H+Na"	20.974666
"472956"	567.194266	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M-2H+Na"	20.974666
"853680"	203.047866	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-2H+Na"	20.974666
"1619242"	203.047866	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Na-2H"	20.974666
"100834"	199.054263	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M-H+Cl"	33.962126
"536385"	290.090863	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M-H+Cl"	33.962126
"938282"	108.017663	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-H+Cl"	33.962126
"269910"	399.115802	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+Cl"	34.969402
"663064"	581.189002	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+Cl"	34.969402
"1274737"	217.042602	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Cl"	34.969402
"18025"	401.095006	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M-2H+K"	36.948606
"467072"	583.168206	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M-2H+K"	36.948606
"841593"	219.021806	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-2H+K"	36.948606
"1561799"	219.021806	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+K-2H"	36.948606
"951869"	227.071394	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-H+HCOOH"	44.998194
"368991"	409.144601	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+HCOOH-H"	44.998201
"351780"	423.160251	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+Hac-H"	59.013851
"1508328"	241.087051	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Hac-H"	59.013851
"972537"	249.053351	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-H+NaCOOH"	66.980151
"125571"	217.042602	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+2Cl"	69.938804
"565347"	308.079202	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+2Cl"	69.938804
"1036611"	126.006002	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2Cl"	69.938804
"1249384"	260.992085	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Br"	78.918885
"1311831"	263.048072	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Cl+HCOOH"	80.974872
"1322766"	285.030029	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Cl+NaCOOH"	102.956829
"920387"	295.058786	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M-H+CF3COOH"	112.985586
"1297094"	331.035464	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Cl+CF3COOH"	148.962264
"1371975"	147.060524	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H-2H2O"	-35.012676
"1390565"	165.0705	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H-H2O"	-17.0027
"296812"	365.153676	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+H"	1.007276
"690331"	547.226876	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+H"	1.007276
"1364862"	183.080476	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H"	1.007276
"130095"	183.080476	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+2H"	2.014552
"580231"	274.117076	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+2H"	2.014552
"1050125"	92.043876	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2H"	2.014552
"215473"	122.389409333333	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+3H"	3.021828
"656128"	183.080476	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+3H"	3.021828
"1169149"	61.6983426666667	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+3H"	3.021828
"428048"	382.180223	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+NH4"	18.033823
"795604"	564.253423	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+NH4"	18.033823
"1692299"	200.107023	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+NH4"	18.033823
"333652"	191.5937495	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+H+NH4"	19.041099
"729353"	282.6303495	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+H+NH4"	19.041099
"1486454"	100.5571495	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H+NH4"	19.041099
"399670"	387.135618	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+Na"	22.989218
"756777"	569.208818	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+Na"	22.989218
"1610951"	205.062418	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Na"	22.989218
"320988"	194.071447	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+H+Na"	23.996494
"710128"	285.108047	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+H+Na"	23.996494
"1461393"	103.034847	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H+Na"	23.996494
"1055013"	69.0256566666667	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2H+Na"	25.00377
"1261066"	215.106686	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+CH3OH+H"	33.033486
"382921"	403.109558	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+K"	38.963158
"746102"	585.182758	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+K"	38.963158
"1543779"	221.036358	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+K"	38.963158
"302411"	202.058417	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+H+K"	39.970434
"694476"	293.095017	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+H+K"	39.970434
"1447563"	111.021817	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H+K"	39.970434
"237993"	406.180226	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+ACN+H"	42.033826
"1212889"	224.107026	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+ACN+H"	42.033826
"1198960"	112.557151	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+ACN+2H"	43.041102
"199485"	409.11756	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+2Na-H"	44.97116
"640139"	591.19076	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+2Na-H"	44.97116
"1139271"	227.04436	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2Na-H"	44.97116
"177095"	205.062418	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+2Na"	45.978436
"615564"	296.099018	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+2Na"	45.978436
"1117975"	114.025818	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2Na"	45.978436
"1398820"	76.3529706666667	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H+2Na"	46.985712
"1433613"	229.085946	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H+HCOOH"	47.012746
"220513"	210.09544	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+3H2O+2H"	56.04448
"1512464"	243.13799	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+IsoProp+H"	61.06479
"410692"	213.049388	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+Na+K"	61.952376
"771687"	304.085988	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+Na+K"	61.952376
"1665830"	122.012788	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Na+K"	61.952376
"258187"	428.162168	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+ACN+Na"	64.015768
"1226519"	246.088968	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+ACN+Na"	64.015768
"1717596"	246.112493	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+NH4+HCOOH"	64.039293
"1181856"	83.6802846666667	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+3Na"	68.967654
"1653936"	251.067888	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Na+HCOOH"	68.994688
"161891"	441.06544	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+2K-H"	76.91904
"599265"	623.13864	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+2K-H"	76.91904
"1084211"	258.99224	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2K-H"	76.91904
"141500"	221.036358	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"2M+2K"	77.926316
"581415"	312.072958	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"3M+2K"	77.926316
"1069283"	129.999758	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2K"	77.926316
"1103343"	261.006792	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2K+H"	78.933592
"1340822"	261.094407	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+DMSO+H"	79.021207
"1009717"	265.133576	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2ACN+H"	83.060376
"1531856"	266.127208	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+IsoProp+Na+H"	84.054008
"1001586"	133.070426	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+2ACN+2H"	84.067652
"1599371"	267.041828	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+K+HCOOH"	84.968628
"1421752"	297.073338	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+H+CF3COOH"	115.000138
"1154226"	153.583701	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+3ACN+2H"	125.094202
"1705967"	314.099885	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+NH4+CF3COOH"	132.026685
"1640524"	319.05528	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+Na+CF3COOH"	136.98208
"1578363"	335.02922	"C01464"	"Xanthan;Xanthene"	"C13H10O"	"182.0732"	"M+K+CF3COOH"	152.95602
"808728"	108.0575	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M"	0
"985910"	89.03911	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-H2O-H"	-19.01839
"67224"	71.0310573333333	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M-3H"	-3.021828
"512255"	107.050224	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M-3H"	-3.021828
"887869"	35.0118906666667	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-3H"	-3.021828
"7535"	107.050224	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M-2H"	-2.014552
"447098"	161.078974	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M-2H"	-2.014552
"821617"	53.021474	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-2H"	-2.014552
"81607"	215.107724	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M-H"	-1.007276
"524813"	323.165224	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M-H"	-1.007276
"898969"	107.050224	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-H"	-1.007276
"49699"	232.134271	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M-2H+NH4"	16.019271
"490718"	340.191771	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M-2H+NH4"	16.019271
"866333"	124.076771	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-2H+NH4"	16.019271
"32409"	237.089666	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M-2H+Na"	20.974666
"472092"	345.147166	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M-2H+Na"	20.974666
"851604"	129.032166	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-2H+Na"	20.974666
"1618739"	129.032166	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Na-2H"	20.974666
"97664"	125.038563	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M-H+Cl"	33.962126
"535402"	179.067313	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M-H+Cl"	33.962126
"938392"	71.009813	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-H+Cl"	33.962126
"267833"	251.084402	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+Cl"	34.969402
"661711"	359.141902	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+Cl"	34.969402
"1274478"	143.026902	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Cl"	34.969402
"17037"	253.063606	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M-2H+K"	36.948606
"464994"	361.121106	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M-2H+K"	36.948606
"840609"	145.006106	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-2H+K"	36.948606
"1561909"	145.006106	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+K-2H"	36.948606
"953072"	153.055694	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-H+HCOOH"	44.998194
"369101"	261.113201	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+HCOOH-H"	44.998201
"351890"	275.128851	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+Hac-H"	59.013851
"1508021"	167.071351	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Hac-H"	59.013851
"973010"	175.037651	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-H+NaCOOH"	66.980151
"125621"	143.026902	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+2Cl"	69.938804
"565092"	197.055652	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+2Cl"	69.938804
"1036479"	88.998152	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2Cl"	69.938804
"1249493"	186.976385	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Br"	78.918885
"1313035"	189.032372	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Cl+HCOOH"	80.974872
"1322876"	211.014329	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Cl+NaCOOH"	102.956829
"921226"	221.043086	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M-H+CF3COOH"	112.985586
"1296110"	257.019764	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Cl+CF3COOH"	148.962264
"1372085"	73.044824	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H-2H2O"	-35.012676
"1391768"	91.0548	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H-H2O"	-17.0027
"291455"	217.122276	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+H"	1.007276
"688981"	325.179776	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+H"	1.007276
"1366065"	109.064776	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H"	1.007276
"129841"	109.064776	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+2H"	2.014552
"578153"	163.093526	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+2H"	2.014552
"1047319"	55.036026	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2H"	2.014552
"214854"	73.0456093333333	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+3H"	3.021828
"653322"	109.064776	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+3H"	3.021828
"1170353"	37.0264426666667	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+3H"	3.021828
"431438"	234.148823	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+NH4"	18.033823
"793527"	342.206323	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+NH4"	18.033823
"1693137"	126.091323	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+NH4"	18.033823
"333033"	117.5780495	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+H+NH4"	19.041099
"729463"	171.6067995	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+H+NH4"	19.041099
"1481097"	63.5492995	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H+NH4"	19.041099
"400872"	239.104218	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+Na"	22.989218
"754943"	347.161718	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+Na"	22.989218
"1606687"	131.046718	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Na"	22.989218
"317817"	120.055747	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+H+Na"	23.996494
"707195"	174.084497	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+H+Na"	23.996494
"1461455"	66.026997	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H+Na"	23.996494
"1059497"	44.3537566666667	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2H+Na"	25.00377
"1260081"	141.090986	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+CH3OH+H"	33.033486
"381936"	255.078158	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+K"	38.963158
"745119"	363.135658	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+K"	38.963158
"1543889"	147.020658	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+K"	38.963158
"301789"	128.042717	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+H+K"	39.970434
"695680"	182.071467	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+H+K"	39.970434
"1446580"	74.013967	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H+K"	39.970434
"238100"	258.148826	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+ACN+H"	42.033826
"1212999"	150.091326	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+ACN+H"	42.033826
"1199070"	75.549301	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+ACN+2H"	43.041102
"197408"	261.08616	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+2Na-H"	44.97116
"640249"	369.14366	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+2Na-H"	44.97116
"1139380"	153.02866	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2Na-H"	44.97116
"178298"	131.046718	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+2Na"	45.978436
"616767"	185.075468	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+2Na"	45.978436
"1116262"	77.017968	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2Na"	45.978436
"1398930"	51.6810706666667	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H+2Na"	46.985712
"1435546"	155.070246	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H+HCOOH"	47.012746
"220503"	136.07974	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+3H2O+2H"	56.04448
"1511845"	169.12229	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+IsoProp+H"	61.06479
"409709"	139.033688	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+Na+K"	61.952376
"772161"	193.062438	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+Na+K"	61.952376
"1666062"	85.004938	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Na+K"	61.952376
"257204"	280.130768	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+ACN+Na"	64.015768
"1229913"	172.073268	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+ACN+Na"	64.015768
"1717706"	172.096793	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+NH4+HCOOH"	64.039293
"1180873"	59.0083846666667	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+3Na"	68.967654
"1650314"	177.052188	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Na+HCOOH"	68.994688
"159814"	293.03404	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+2K-H"	76.91904
"599375"	401.09154	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+2K-H"	76.91904
"1084475"	184.97654	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2K-H"	76.91904
"141494"	147.020658	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"2M+2K"	77.926316
"581741"	201.049408	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"3M+2K"	77.926316
"1068682"	92.991908	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2K"	77.926316
"1100408"	186.991092	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2K+H"	78.933592
"1335764"	187.078707	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+DMSO+H"	79.021207
"1006912"	191.117876	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2ACN+H"	83.060376
"1531966"	192.111508	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+IsoProp+Na+H"	84.054008
"1001695"	96.062576	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+2ACN+2H"	84.067652
"1600575"	193.026128	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+K+HCOOH"	84.968628
"1422955"	223.057638	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+H+CF3COOH"	115.000138
"1151057"	116.575851	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+3ACN+2H"	125.094202
"1710452"	240.084185	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+NH4+CF3COOH"	132.026685
"1641727"	245.03958	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+Na+CF3COOH"	136.98208
"1578473"	261.01352	"C01467"	"3-Cresol;m-Cresol;3-Hydroxytoluene"	"C7H8O"	"108.0575"	"M+K+CF3COOH"	152.95602
"808838"	108.0575	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M"	0
"984563"	89.03911	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-H2O-H"	-19.01839
"70614"	71.0310573333333	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M-3H"	-3.021828
"514552"	107.050224	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M-3H"	-3.021828
"891257"	35.0118906666667	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-3H"	-3.021828
"9832"	107.050224	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H"	-2.014552
"447207"	161.078974	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H"	-2.014552
"830475"	53.021474	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-2H"	-2.014552
"92653"	215.107724	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M-H"	-1.007276
"527839"	323.165224	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M-H"	-1.007276
"901997"	107.050224	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-H"	-1.007276
"60018"	232.134271	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H+NH4"	16.019271
"500671"	340.191771	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H+NH4"	16.019271
"871184"	124.076771	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-2H+NH4"	16.019271
"42001"	237.089666	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H+Na"	20.974666
"476824"	345.147166	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H+Na"	20.974666
"857181"	129.032166	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-2H+Na"	20.974666
"1623067"	129.032166	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Na-2H"	20.974666
"103242"	125.038563	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M-H+Cl"	33.962126
"544989"	179.067313	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M-H+Cl"	33.962126
"938502"	71.009813	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-H+Cl"	33.962126
"274872"	251.084402	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+Cl"	34.969402
"664013"	359.141902	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+Cl"	34.969402
"1276050"	143.026902	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl"	34.969402
"17152"	253.063606	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H+K"	36.948606
"464011"	361.121106	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H+K"	36.948606
"839625"	145.006106	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-2H+K"	36.948606
"1562020"	145.006106	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+K-2H"	36.948606
"954276"	153.055694	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-H+HCOOH"	44.998194
"369212"	261.113201	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+HCOOH-H"	44.998201
"350907"	275.128851	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+Hac-H"	59.013851
"1506921"	167.071351	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Hac-H"	59.013851
"972034"	175.037651	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-H+NaCOOH"	66.980151
"123855"	143.026902	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+2Cl"	69.938804
"564148"	197.055652	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+2Cl"	69.938804
"1034769"	88.998152	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2Cl"	69.938804
"1248511"	186.976385	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Br"	78.918885
"1310958"	189.032372	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl+HCOOH"	80.974872
"1325173"	211.014329	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl+NaCOOH"	102.956829
"917324"	221.043086	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M-H+CF3COOH"	112.985586
"1291846"	257.019764	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl+CF3COOH"	148.962264
"1370006"	73.044824	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H-2H2O"	-35.012676
"1386410"	91.0548	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H-H2O"	-17.0027
"290471"	217.122276	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+H"	1.007276
"685080"	325.179776	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+H"	1.007276
"1361431"	109.064776	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H"	1.007276
"134326"	109.064776	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+2H"	2.014552
"576442"	163.093526	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+2H"	2.014552
"1047429"	55.036026	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2H"	2.014552
"215329"	73.0456093333333	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+3H"	3.021828
"657443"	109.064776	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+3H"	3.021828
"1174839"	37.0264426666667	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+3H"	3.021828
"434828"	234.148823	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+NH4"	18.033823
"793637"	342.206323	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+NH4"	18.033823
"1689967"	126.091323	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+NH4"	18.033823
"332413"	117.5780495	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+H+NH4"	19.041099
"726293"	171.6067995	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+H+NH4"	19.041099
"1482300"	63.5492995	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H+NH4"	19.041099
"400982"	239.104218	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+Na"	22.989218
"759792"	347.161718	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+Na"	22.989218
"1612265"	131.046718	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Na"	22.989218
"321207"	120.055747	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+H+Na"	23.996494
"707789"	174.084497	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+H+Na"	23.996494
"1461404"	66.026997	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H+Na"	23.996494
"1060700"	44.3537566666667	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2H+Na"	25.00377
"1260193"	141.090986	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+CH3OH+H"	33.033486
"385328"	255.078158	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+K"	38.963158
"744135"	363.135658	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+K"	38.963158
"1543999"	147.020658	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+K"	38.963158
"301899"	128.042717	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+H+K"	39.970434
"693597"	182.071467	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+H+K"	39.970434
"1449240"	74.013967	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H+K"	39.970434
"238574"	258.148826	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+ACN+H"	42.033826
"1216389"	150.091326	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+ACN+H"	42.033826
"1200273"	75.549301	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+ACN+2H"	43.041102
"197518"	261.08616	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+2Na-H"	44.97116
"640360"	369.14366	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+2Na-H"	44.97116
"1141677"	153.02866	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2Na-H"	44.97116
"178408"	131.046718	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+2Na"	45.978436
"619062"	185.075468	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+2Na"	45.978436
"1120381"	77.017968	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2Na"	45.978436
"1399039"	51.6810706666667	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H+2Na"	46.985712
"1433834"	155.070246	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H+HCOOH"	47.012746
"225717"	136.07974	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+3H2O+2H"	56.04448
"1511953"	169.12229	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+IsoProp+H"	61.06479
"410546"	139.033688	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+Na+K"	61.952376
"775186"	193.062438	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+Na+K"	61.952376
"1665965"	85.004938	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Na+K"	61.952376
"257314"	280.130768	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+ACN+Na"	64.015768
"1228929"	172.073268	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+ACN+Na"	64.015768
"1714900"	172.096793	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+NH4+HCOOH"	64.039293
"1182804"	59.0083846666667	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+3Na"	68.967654
"1650422"	177.052188	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Na+HCOOH"	68.994688
"161017"	293.03404	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+2K-H"	76.91904
"599485"	401.09154	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+2K-H"	76.91904
"1084953"	184.97654	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2K-H"	76.91904
"141608"	147.020658	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"2M+2K"	77.926316
"581814"	201.049408	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"3M+2K"	77.926316
"1068678"	92.991908	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2K"	77.926316
"1101248"	186.991092	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2K+H"	78.933592
"1335803"	187.078707	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+DMSO+H"	79.021207
"1009573"	191.117876	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2ACN+H"	83.060376
"1529889"	192.111508	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+IsoProp+Na+H"	84.054008
"1001805"	96.062576	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+2ACN+2H"	84.067652
"1599592"	193.026128	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+K+HCOOH"	84.968628
"1419784"	223.057638	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+H+CF3COOH"	115.000138
"1151167"	116.575851	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+3ACN+2H"	125.094202
"1711655"	240.084185	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+NH4+CF3COOH"	132.026685
"1641837"	245.03958	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+Na+CF3COOH"	136.98208
"1578583"	261.01352	"C01468"	"4-Cresol;p-Cresol;4-Hydroxytoluene;4-Methylphenol"	"C7H8O"	"108.0575"	"M+K+CF3COOH"	152.95602
"808949"	284.0685	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M"	0
"989410"	265.05011	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"77287"	188.371724	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"516846"	283.061224	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"895379"	93.682224	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"7757"	283.061224	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"446223"	425.095474	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"825118"	141.026974	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"86203"	567.129724	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"533786"	851.198224	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"905753"	283.061224	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"60128"	584.156271	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"496409"	868.224771	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"877126"	300.087771	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"38832"	589.111666	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"479488"	873.180166	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"860571"	305.043166	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1629739"	305.043166	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"103352"	301.049563	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"546192"	443.083813	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"935333"	159.015313	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"270610"	603.106402	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"662301"	887.174902	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1277623"	319.037902	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"20186"	605.085606	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"464120"	889.154106	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"838640"	321.017106	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1565410"	321.017106	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"954387"	329.066694	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"367134"	613.135201	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"360147"	627.150851	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1507155"	343.082351	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"974129"	351.048651	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"123971"	319.037902	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"564257"	461.072152	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1034144"	177.003652	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1253725"	362.987385	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1313255"	365.043372	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1328564"	387.025329	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"917435"	397.054086	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1294144"	433.030764	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1373396"	249.055824	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1389801"	267.0658	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"295685"	569.144276	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"687015"	853.212776	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1362278"	285.075776	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"136989"	285.075776	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"579834"	427.110026	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1052644"	143.041526	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"217629"	190.386276	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"657189"	285.075776	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1170573"	95.696776	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"433846"	586.170823	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"793747"	870.239323	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1683518"	302.102323	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"331064"	293.5890495	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"726403"	435.6232995	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1478524"	151.5547995	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"401092"	591.126218	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"763180"	875.194718	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1613468"	307.057718	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"320224"	296.066747	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"711552"	438.100997	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1469753"	154.032497	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1059719"	103.02409	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1263584"	317.101986	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"381065"	607.100158	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"743154"	891.168658	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1542288"	323.031658	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"300193"	304.053717	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"692249"	446.087967	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1455190"	162.019467	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"248166"	610.170826	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1225208"	326.102326	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1206945"	163.554801	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"198722"	613.10816	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"642293"	897.17666	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1143612"	329.03966	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"183985"	307.057718	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"622452"	449.091968	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1127051"	165.023468	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1401097"	110.351404	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1435036"	331.081246	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"222910"	312.09074	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1512430"	345.13329	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"412480"	315.044688	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"774575"	457.078938	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1669812"	173.010438	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"260704"	632.152768	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1227947"	348.084268	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1714158"	348.107793	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1183280"	117.678718	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1653539"	353.063188	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"160034"	645.05604	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"597239"	929.12454	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1084420"	360.98754	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"141637"	323.031658	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"581689"	465.065908	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1068499"	180.997408	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1100386"	363.002092	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1346625"	363.089707	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1012971"	367.128876	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1539240"	368.122508	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"1004108"	184.068076	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1594235"	369.037128	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1420991"	399.068638	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1158935"	204.581351	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1709578"	416.095185	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1637575"	421.05058	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1572133"	437.02452	"C01470"	"Acacetin;57-Dihydroxy-4-methoxyflavone;4-Methoxy-57-dihydroxyflavone"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"809059"	56.0262	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M"	0
"985876"	37.00781	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-H2O-H"	-19.01839
"76303"	36.343524	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M-3H"	-3.021828
"512583"	55.018924	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M-3H"	-3.021828
"881639"	17.668124	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-3H"	-3.021828
"6774"	55.018924	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M-2H"	-2.014552
"445240"	83.032024	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M-2H"	-2.014552
"824136"	27.005824	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-2H"	-2.014552
"81940"	111.045124	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M-H"	-1.007276
"518949"	167.071324	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M-H"	-1.007276
"902584"	55.018924	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-H"	-1.007276
"50396"	128.071671	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M-2H+NH4"	16.019271
"489228"	184.097871	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M-2H+NH4"	16.019271
"867029"	72.045471	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-2H+NH4"	16.019271
"32742"	133.027066	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M-2H+Na"	20.974666
"477412"	189.053266	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M-2H+Na"	20.974666
"856308"	77.000866	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-2H+Na"	20.974666
"1623654"	77.000866	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Na-2H"	20.974666
"105649"	73.007263	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M-H+Cl"	33.962126
"545210"	101.020363	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M-H+Cl"	33.962126
"933256"	44.994163	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-H+Cl"	33.962126
"270720"	147.021802	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+Cl"	34.969402
"666421"	203.048002	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+Cl"	34.969402
"1273721"	90.995602	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Cl"	34.969402
"17499"	149.001006	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M-2H+K"	36.948606
"468606"	205.027206	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M-2H+K"	36.948606
"842033"	92.974806	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-2H+K"	36.948606
"1560053"	92.974806	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+K-2H"	36.948606
"947933"	101.024394	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-H+HCOOH"	44.998194
"370523"	157.050601	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+HCOOH-H"	44.998201
"361078"	171.066251	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+Hac-H"	59.013851
"1508126"	115.040051	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Hac-H"	59.013851
"973849"	123.006351	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-H+NaCOOH"	66.980151
"124445"	90.995602	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+2Cl"	69.938804
"564980"	119.008702	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+2Cl"	69.938804
"1034259"	62.982502	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2Cl"	69.938804
"1253833"	134.945085	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Br"	78.918885
"1316647"	137.001072	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Cl+HCOOH"	80.974872
"1331955"	158.983029	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Cl+NaCOOH"	102.956829
"921920"	169.011786	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M-H+CF3COOH"	112.985586
"1298994"	204.988464	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Cl+CF3COOH"	148.962264
"1373508"	21.013524	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H-2H2O"	-35.012676
"1393192"	39.0235	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H-H2O"	-17.0027
"288505"	113.059676	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+H"	1.007276
"685301"	169.085876	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+H"	1.007276
"1360565"	57.033476	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H"	1.007276
"137827"	57.033476	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+2H"	2.014552
"579944"	85.046576	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+2H"	2.014552
"1051661"	29.020376	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2H"	2.014552
"218468"	38.358076	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+3H"	3.021828
"657299"	57.033476	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+3H"	3.021828
"1169590"	19.682676	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+3H"	3.021828
"435050"	130.086223	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+NH4"	18.033823
"796773"	186.112423	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+NH4"	18.033823
"1683628"	74.060023	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+NH4"	18.033823
"335186"	65.5467495	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+H+NH4"	19.041099
"729793"	93.5598495	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+H+NH4"	19.041099
"1478149"	37.5336495	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H+NH4"	19.041099
"403389"	135.041618	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+Na"	22.989218
"762197"	191.067818	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+Na"	22.989218
"1613578"	79.015418	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Na"	22.989218
"321428"	68.024447	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+H+Na"	23.996494
"713849"	96.037547	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+H+Na"	23.996494
"1468770"	40.011347	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H+Na"	23.996494
"1060922"	27.00999	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2H+Na"	25.00377
"1262600"	89.059686	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+CH3OH+H"	33.033486
"382268"	151.015558	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+K"	38.963158
"742898"	207.041758	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+K"	38.963158
"1542398"	94.989358	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+K"	38.963158
"299206"	76.011417	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+H+K"	39.970434
"691995"	104.024517	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+H+K"	39.970434
"1453113"	47.998317	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H+K"	39.970434
"246089"	154.086226	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+ACN+H"	42.033826
"1222078"	98.060026	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+ACN+H"	42.033826
"1204869"	49.533651	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+ACN+2H"	43.041102
"198832"	157.02356	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+2Na-H"	44.97116
"639487"	213.04976	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+2Na-H"	44.97116
"1141899"	100.99736	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2Na-H"	44.97116
"181909"	79.015418	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+2Na"	45.978436
"619282"	107.028518	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+2Na"	45.978436
"1121694"	51.002318	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2Na"	45.978436
"1400115"	34.337304	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H+2Na"	46.985712
"1437333"	103.038946	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H+HCOOH"	47.012746
"230309"	84.04844	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+3H2O+2H"	56.04448
"1509624"	117.09099	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+IsoProp+H"	61.06479
"411497"	87.002388	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+Na+K"	61.952376
"773592"	115.015488	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+Na+K"	61.952376
"1669193"	58.989288	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Na+K"	61.952376
"258628"	176.068168	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+ACN+Na"	64.015768
"1227328"	120.041968	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+ACN+Na"	64.015768
"1714026"	120.065493	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+NH4+HCOOH"	64.039293
"1183390"	41.664618	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+3Na"	68.967654
"1655835"	125.020888	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Na+HCOOH"	68.994688
"158686"	188.97144	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+2K-H"	76.91904
"597144"	244.99764	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+2K-H"	76.91904
"1084218"	132.94524	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2K-H"	76.91904
"141499"	94.989358	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"2M+2K"	77.926316
"582777"	123.002458	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"3M+2K"	77.926316
"1068561"	66.976258	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2K"	77.926316
"1101107"	134.959792	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2K+H"	78.933592
"1336521"	135.047407	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+DMSO+H"	79.021207
"1016361"	139.086576	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2ACN+H"	83.060376
"1533394"	140.080208	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+IsoProp+Na+H"	84.054008
"997655"	70.046926	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+2ACN+2H"	84.067652
"1594345"	140.994828	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+K+HCOOH"	84.968628
"1421101"	171.026338	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+H+CF3COOH"	115.000138
"1159044"	90.560201	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+3ACN+2H"	125.094202
"1706408"	188.052885	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+NH4+CF3COOH"	132.026685
"1637685"	193.00828	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+Na+CF3COOH"	136.98208
"1572606"	208.98222	"C01471"	"Acrolein;Acrylaldehyde;Acrylic aldehyde;Propenal"	"C3H4O"	"56.0262"	"M+K+CF3COOH"	152.95602
"809169"	240.0423	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M"	0
"984889"	221.02391	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-H2O-H"	-19.01839
"70945"	159.020924	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M-3H"	-3.021828
"511600"	239.035024	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M-3H"	-3.021828
"890496"	79.006824	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-3H"	-3.021828
"6883"	239.035024	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M-2H"	-2.014552
"445350"	359.056174	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M-2H"	-2.014552
"819872"	119.013874	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-2H"	-2.014552
"86424"	479.077324	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M-H"	-1.007276
"521612"	719.119624	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M-H"	-1.007276
"899047"	239.035024	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-H"	-1.007276
"51600"	496.103871	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M-2H+NH4"	16.019271
"490796"	736.146171	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M-2H+NH4"	16.019271
"869328"	256.061571	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-2H+NH4"	16.019271
"35039"	501.059266	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M-2H+Na"	20.974666
"477522"	741.101566	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M-2H+Na"	20.974666
"855324"	261.016966	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-2H+Na"	20.974666
"1624857"	261.016966	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Na-2H"	20.974666
"104665"	257.023363	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M-H+Cl"	33.962126
"547629"	377.044513	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M-H+Cl"	33.962126
"934459"	137.002213	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-H+Cl"	33.962126
"271923"	515.054002	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+Cl"	34.969402
"665437"	755.096302	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+Cl"	34.969402
"1273830"	275.011702	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Cl"	34.969402
"15730"	517.033206	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M-2H+K"	36.948606
"462154"	757.075506	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M-2H+K"	36.948606
"837768"	276.990906	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-2H+K"	36.948606
"1559067"	276.990906	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+K-2H"	36.948606
"948042"	285.040494	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-H+HCOOH"	44.998194
"367352"	525.082801	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+HCOOH-H"	44.998201
"360856"	539.098451	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+Hac-H"	59.013851
"1507622"	299.056151	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Hac-H"	59.013851
"973337"	307.022451	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-H+NaCOOH"	66.980151
"125693"	275.011702	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+2Cl"	69.938804
"565292"	395.032852	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+2Cl"	69.938804
"1034736"	154.990552	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2Cl"	69.938804
"1255771"	318.961185	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Br"	78.918885
"1318578"	321.017172	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Cl+HCOOH"	80.974872
"1334251"	342.999129	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Cl+NaCOOH"	102.956829
"920937"	353.027886	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M-H+CF3COOH"	112.985586
"1297645"	389.004564	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Cl+CF3COOH"	148.962264
"1375803"	205.029624	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H-2H2O"	-35.012676
"1398041"	223.0396	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H-H2O"	-17.0027
"294081"	481.091876	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+H"	1.007276
"681037"	721.134176	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+H"	1.007276
"1356296"	241.049576	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H"	1.007276
"130280"	241.049576	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+2H"	2.014552
"572763"	361.070726	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+2H"	2.014552
"1045936"	121.028426	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2H"	2.014552
"215297"	161.035476	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+3H"	3.021828
"651575"	241.049576	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+3H"	3.021828
"1172980"	81.021376	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+3H"	3.021828
"431878"	498.118423	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+NH4"	18.033823
"791781"	738.160723	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+NH4"	18.033823
"1683738"	258.076123	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+NH4"	18.033823
"337482"	249.5628495	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+H+NH4"	19.041099
"728810"	369.5839995	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+H+NH4"	19.041099
"1485547"	129.5416995	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H+NH4"	19.041099
"398030"	503.073818	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+Na"	22.989218
"761214"	743.116118	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+Na"	22.989218
"1611499"	263.031518	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Na"	22.989218
"323725"	252.040547	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+H+Na"	23.996494
"715053"	372.061697	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+H+Na"	23.996494
"1464140"	132.019397	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H+Na"	23.996494
"1053251"	88.34869	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2H+Na"	25.00377
"1257845"	273.075786	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+CH3OH+H"	33.033486
"378367"	519.047758	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+K"	38.963158
"739360"	759.090058	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+K"	38.963158
"1540680"	279.005458	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+K"	38.963158
"298560"	260.027517	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+H+K"	39.970434
"691397"	380.048667	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+H+K"	39.970434
"1453223"	140.006367	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H+K"	39.970434
"244013"	522.118426	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+ACN+H"	42.033826
"1216721"	282.076126	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+ACN+H"	42.033826
"1200605"	141.541701	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+ACN+2H"	43.041102
"194569"	525.05576	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+2Na-H"	44.97116
"636317"	765.09806	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+2Na-H"	44.97116
"1139822"	285.01346	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2Na-H"	44.97116
"178738"	263.031518	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+2Na"	45.978436
"616112"	383.052668	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+2Na"	45.978436
"1121804"	143.010368	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2Na"	45.978436
"1398680"	95.676004	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H+2Na"	46.985712
"1434162"	287.055046	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H+HCOOH"	47.012746
"228231"	268.06454	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+3H2O+2H"	56.04448
"1508715"	301.10709	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+IsoProp+H"	61.06479
"414887"	271.018488	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+Na+K"	61.952376
"772609"	391.039638	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+Na+K"	61.952376
"1669303"	150.997338	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Na+K"	61.952376
"255458"	544.100368	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+ACN+Na"	64.015768
"1227800"	304.058068	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+ACN+Na"	64.015768
"1712952"	304.081593	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+NH4+HCOOH"	64.039293
"1184593"	103.003318	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+3Na"	68.967654
"1654851"	309.036988	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Na+HCOOH"	68.994688
"158796"	557.00364	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+2K-H"	76.91904
"597294"	797.04594	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+2K-H"	76.91904
"1084563"	316.96134	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2K-H"	76.91904
"141582"	279.005458	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"2M+2K"	77.926316
"583981"	399.026608	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"3M+2K"	77.926316
"1068580"	158.984308	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2K"	77.926316
"1100610"	318.975892	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2K+H"	78.933592
"1336389"	319.063507	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+DMSO+H"	79.021207
"1011000"	323.102676	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2ACN+H"	83.060376
"1532411"	324.096308	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+IsoProp+Na+H"	84.054008
"997765"	162.054976	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+2ACN+2H"	84.067652
"1592269"	325.010928	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+K+HCOOH"	84.968628
"1421211"	355.042438	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+H+CF3COOH"	115.000138
"1158061"	182.568251	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+3ACN+2H"	125.094202
"1703238"	372.068985	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+NH4+CF3COOH"	132.026685
"1635608"	377.02438	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+Na+CF3COOH"	136.98208
"1574539"	392.99832	"C01474"	"Alizarin;Dihydroxyanthraquinone;12-Dihydroxyanthraquinone;Dihydroxy-910-anthracenedione"	"C14H8O4"	"240.0423"	"M+K+CF3COOH"	152.95602
"809279"	270.0528	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M"	0
"984999"	251.03441	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"71055"	179.027924	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"512801"	269.045524	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"890606"	89.010324	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"8086"	269.045524	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"447648"	404.071924	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"824355"	134.019124	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"86534"	539.098324	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"525002"	809.151124	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"902803"	269.045524	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"54990"	556.124871	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"490176"	826.177671	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"870531"	286.072071	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"33691"	561.080266	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"475445"	831.133066	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"852155"	291.027466	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1622781"	291.027466	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"106598"	287.033863	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"546524"	422.060263	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"939674"	152.007463	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"281387"	575.075002	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"668826"	845.127802	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1275764"	305.022202	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"16010"	577.054206	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"460077"	847.107006	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"833056"	307.001406	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1555774"	307.001406	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"947061"	315.050994	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"366370"	585.103801	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"360475"	599.119451	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1507484"	329.066651	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"972718"	337.032951	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"122838"	305.022202	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"563851"	440.048602	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1032651"	169.995802	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1254417"	348.971685	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1317958"	351.027672	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1332174"	373.009629	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"918860"	383.038386	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1297755"	419.015064	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1370448"	235.040124	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1397666"	253.0501	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"294191"	541.112876	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"682240"	811.165676	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1356406"	271.060076	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"132576"	271.060076	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"572143"	406.086476	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1046410"	136.033676	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"214678"	181.042476	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"648405"	271.060076	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1169810"	91.024876	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"428708"	558.139423	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"794077"	828.192223	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1686035"	288.086623	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"336499"	279.5733495	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"731107"	414.5997495	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1486021"	144.5469495	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"400326"	563.094818	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"762052"	833.147618	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1612338"	293.042018	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"323835"	282.051047	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"717716"	417.077447	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1462428"	147.024647	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1052871"	98.35219	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1257263"	303.086286	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"379572"	579.068758	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"740202"	849.121558	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1541158"	309.015958	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"298668"	290.038017	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"691424"	425.064417	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1453333"	155.011617	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"237561"	582.139426	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1214644"	312.086626	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1200715"	156.546951	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"195772"	585.07676	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"636427"	855.12956	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1139933"	315.02396	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"177755"	293.042018	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"616222"	428.068418	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1125193"	158.015618	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1409084"	105.679504	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1437553"	317.065546	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"228341"	298.07504	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1510939"	331.11759	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"413904"	301.028988	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"771626"	436.055388	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1669413"	166.002588	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"256661"	604.121368	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1230830"	334.068568	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1713394"	334.092093	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1184703"	113.006818	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1656784"	339.047488	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"159636"	617.02464	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"599196"	887.07744	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1085166"	346.97184	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"141458"	309.015958	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"583240"	444.042358	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1068763"	173.989558	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1100841"	348.986392	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1336499"	349.074007	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1010017"	353.113176	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1536895"	354.106808	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"1003222"	177.060226	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1593471"	355.021428	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1421321"	385.052938	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1149423"	197.573501	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1703348"	402.079485	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1634665"	407.03488	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1573556"	423.00882	"C01477"	"Apigenin;457-Trihydroxyflavone;574-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"814857"	141.9247	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M"	0
"985109"	122.90631	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-H2O-H"	-19.01839
"71165"	93.6091906666667	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M-3H"	-3.021828
"515099"	140.917424	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M-3H"	-3.021828
"894483"	46.3009573333333	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-3H"	-3.021828
"14395"	140.917424	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M-2H"	-2.014552
"452133"	211.879774	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M-2H"	-2.014552
"829934"	69.955074	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-2H"	-2.014552
"93572"	282.842124	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M-H"	-1.007276
"533862"	424.766824	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M-H"	-1.007276
"910934"	140.917424	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-H"	-1.007276
"58381"	299.868671	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M-2H+NH4"	16.019271
"496850"	441.793371	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M-2H+NH4"	16.019271
"878784"	157.943971	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-2H+NH4"	16.019271
"37085"	304.824066	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M-2H+Na"	20.974666
"483209"	446.748766	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M-2H+Na"	20.974666
"861741"	162.899366	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-2H+Na"	20.974666
"1627264"	162.899366	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Na-2H"	20.974666
"107801"	158.905763	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M-H+Cl"	33.962126
"548335"	229.868113	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M-H+Cl"	33.962126
"941486"	87.943413	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-H+Cl"	33.962126
"280525"	318.818802	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+Cl"	34.969402
"668936"	460.743502	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+Cl"	34.969402
"1276969"	176.894102	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Cl"	34.969402
"19526"	320.798006	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M-2H+K"	36.948606
"466747"	462.722706	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M-2H+K"	36.948606
"837988"	178.873306	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-2H+K"	36.948606
"1558195"	178.873306	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+K-2H"	36.948606
"945346"	186.922894	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-H+HCOOH"	44.998194
"365386"	328.847601	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+HCOOH-H"	44.998201
"360590"	342.863251	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+Hac-H"	59.013851
"1507725"	200.938551	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Hac-H"	59.013851
"972588"	208.904851	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-H+NaCOOH"	66.980151
"124661"	176.894102	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+2Cl"	69.938804
"565187"	247.856452	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+2Cl"	69.938804
"1036050"	105.931752	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2Cl"	69.938804
"1255626"	220.843585	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Br"	78.918885
"1319411"	222.899572	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Cl+HCOOH"	80.974872
"1334840"	244.881529	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Cl+NaCOOH"	102.956829
"925896"	254.910286	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M-H+CF3COOH"	112.985586
"1303333"	290.886964	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Cl+CF3COOH"	148.962264
"1380399"	106.912024	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H-2H2O"	-35.012676
"1398374"	124.922	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H-H2O"	-17.0027
"297908"	284.856676	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+H"	1.007276
"688908"	426.781376	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+H"	1.007276
"1363810"	142.931976	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H"	1.007276
"137427"	142.931976	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+2H"	2.014552
"575164"	213.894326	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+2H"	2.014552
"1047614"	71.969626	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2H"	2.014552
"215516"	95.6237426666667	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+3H"	3.021828
"656899"	142.931976	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+3H"	3.021828
"1176119"	48.3155093333333	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+3H"	3.021828
"435014"	301.883223	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+NH4"	18.033823
"796375"	443.807923	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+NH4"	18.033823
"1686145"	159.958523	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+NH4"	18.033823
"338796"	151.4452495	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+H+NH4"	19.041099
"733404"	222.4075995	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+H+NH4"	19.041099
"1488318"	80.4828995	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H+NH4"	19.041099
"403716"	306.838618	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+Na"	22.989218
"762526"	448.763318	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+Na"	22.989218
"1612812"	164.913918	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Na"	22.989218
"323945"	153.922947	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+H+Na"	23.996494
"720620"	224.885297	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+H+Na"	23.996494
"1464727"	82.960597	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H+Na"	23.996494
"1055419"	55.6428233333333	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2H+Na"	25.00377
"1261107"	174.958186	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+CH3OH+H"	33.033486
"381505"	322.812558	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+K"	38.963158
"743594"	464.737258	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+K"	38.963158
"1544550"	180.887858	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+K"	38.963158
"298684"	161.909917	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+H+K"	39.970434
"694150"	232.872267	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+H+K"	39.970434
"1454539"	90.947567	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H+K"	39.970434
"245326"	325.883226	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+ACN+H"	42.033826
"1213661"	183.958526	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+ACN+H"	42.033826
"1199732"	92.482901	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+ACN+2H"	43.041102
"200256"	328.82056	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+2Na-H"	44.97116
"638724"	470.74526	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+2Na-H"	44.97116
"1140043"	186.89586	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2Na-H"	44.97116
"178958"	164.913918	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+2Na"	45.978436
"622892"	235.876268	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+2Na"	45.978436
"1127490"	93.951568	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2Na"	45.978436
"1411382"	62.9701373333333	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H+2Na"	46.985712
"1440944"	188.937446	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H+HCOOH"	47.012746
"231732"	169.94694	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+3H2O+2H"	56.04448
"1520890"	202.98949	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+IsoProp+H"	61.06479
"415107"	172.900888	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+Na+K"	61.952376
"779389"	243.863238	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+Na+K"	61.952376
"1674625"	101.938538	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Na+K"	61.952376
"262238"	347.865168	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+ACN+Na"	64.015768
"1232762"	205.940468	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+ACN+Na"	64.015768
"1714356"	205.963993	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+NH4+HCOOH"	64.039293
"1181897"	70.2974513333333	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+3Na"	68.967654
"1656893"	210.919388	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Na+HCOOH"	68.994688
"160475"	360.76844	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+2K-H"	76.91904
"598212"	502.69314	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+2K-H"	76.91904
"1084912"	218.84374	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2K-H"	76.91904
"142820"	180.887858	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"2M+2K"	77.926316
"586390"	251.850208	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"3M+2K"	77.926316
"1070900"	109.925508	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2K"	77.926316
"1101194"	220.858292	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2K+H"	78.933592
"1337947"	220.945907	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+DMSO+H"	79.021207
"1010126"	224.985076	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2ACN+H"	83.060376
"1534818"	225.978708	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+IsoProp+Na+H"	84.054008
"1002360"	112.996176	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+2ACN+2H"	84.067652
"1595768"	226.893328	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+K+HCOOH"	84.968628
"1422524"	256.924838	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+H+CF3COOH"	115.000138
"1152813"	133.509451	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+3ACN+2H"	125.094202
"1706738"	273.951385	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+NH4+CF3COOH"	132.026685
"1638015"	278.90678	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+Na+CF3COOH"	136.98208
"1573666"	294.88072	"C01478"	"Arsenic acid;Orthoarsenic acid"	"H3AsO4"	"141.9247"	"M+K+CF3COOH"	152.95602
"814967"	289.1678	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M"	0
"985219"	270.14941	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"71275"	191.771257333333	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"515209"	288.160524	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"890825"	95.3819906666667	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"12680"	288.160524	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"451148"	432.744424	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"828950"	143.576624	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"94130"	577.328324	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"529595"	866.496124	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"910438"	288.160524	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"60678"	594.354871	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"496960"	883.522671	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"876948"	305.187071	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"41569"	599.310266	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"483319"	888.478066	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"862215"	310.142466	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1630654"	310.142466	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"108275"	306.148863	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"549936"	450.732763	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"940987"	161.564963	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"282097"	613.305002	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"674394"	902.472802	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1280359"	324.137202	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"21822"	615.284206	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"466857"	904.452006	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"838098"	326.116406	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1561584"	326.116406	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"949829"	334.165994	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"366951"	623.333801	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"361171"	637.349451	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1508318"	348.181651	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"974077"	356.147951	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"125378"	324.137202	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"565595"	468.721102	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1037015"	179.553302	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1255737"	368.086685	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1317455"	370.142672	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1334947"	392.124629	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"923453"	402.153386	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1304092"	438.130064	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1382293"	254.155124	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1396185"	272.1651	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"293319"	579.342876	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"685739"	868.510676	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1359541"	290.175076	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"137537"	290.175076	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"576367"	434.758976	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1049181"	145.591176	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"216719"	193.785809333333	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"656645"	290.175076	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1174407"	97.3965426666667	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"432208"	596.369423	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"796485"	885.537223	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1684068"	307.201623	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"335626"	298.6883495	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"730234"	443.2722495	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1488428"	154.1044495	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"401640"	601.324818	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"763730"	890.492618	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1616202"	312.157018	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"326242"	301.166047	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"720851"	445.749947	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1463743"	156.582147	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1055895"	104.723856666667	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1261947"	322.201286	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"382708"	617.298758	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"745891"	906.466558	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1546846"	328.130958	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"301109"	309.153017	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"693165"	453.736917	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1457930"	164.569117	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"246529"	620.369426	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1215957"	331.201626	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1202029"	166.104451	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"199273"	623.30676	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"636647"	912.47456	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1136873"	334.13896	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"181255"	312.157018	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"626283"	456.740918	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1127604"	167.573118	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1410035"	112.051170666667	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1439964"	336.180546	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"233665"	317.19004	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1518810"	350.23259	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"421778"	320.143988	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"776219"	464.727888	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1674735"	175.560088	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"261255"	642.351368	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1232872"	353.183568	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1717385"	353.207093	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1182737"	119.378484666667	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1658096"	358.162488	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"160949"	655.25464	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"598808"	944.42244	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1086114"	366.08684	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"143294"	328.130958	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"584677"	472.714858	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1074290"	183.547058	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1102033"	368.101392	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1339512"	368.189007	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1012415"	372.228176	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1526167"	373.221808	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"1004415"	186.617726	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1594783"	374.136428	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1422634"	404.167938	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1149643"	207.131001	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1706848"	421.194485	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1638125"	426.14988	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1573775"	442.12382	"C01479"	"Atropine;dl-Hyoscyamine"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"809609"	180.0423	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M"	0
"989583"	161.02391	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-H2O-H"	-19.01839
"74665"	119.020924	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M-3H"	-3.021828
"518347"	179.035024	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M-3H"	-3.021828
"893122"	59.006824	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-3H"	-3.021828
"12790"	179.035024	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M-2H"	-2.014552
"454174"	269.056174	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M-2H"	-2.014552
"831976"	89.013874	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-2H"	-2.014552
"94120"	359.077324	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M-H"	-1.007276
"529705"	539.119624	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M-H"	-1.007276
"907507"	179.035024	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-H"	-1.007276
"60788"	376.103871	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M-2H+NH4"	16.019271
"500350"	556.146171	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M-2H+NH4"	16.019271
"877058"	196.061571	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-2H+NH4"	16.019271
"42773"	381.059266	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M-2H+Na"	20.974666
"483065"	561.101566	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M-2H+Na"	20.974666
"864077"	201.016966	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-2H+Na"	20.974666
"1630764"	201.016966	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Na-2H"	20.974666
"109236"	197.023363	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M-H+Cl"	33.962126
"549939"	287.044513	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M-H+Cl"	33.962126
"941340"	107.002213	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-H+Cl"	33.962126
"281964"	395.054002	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+Cl"	34.969402
"674260"	575.096302	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+Cl"	34.969402
"1278282"	215.011702	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Cl"	34.969402
"20838"	397.033206	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M-2H+K"	36.948606
"463682"	577.075506	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M-2H+K"	36.948606
"841485"	216.990906	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-2H+K"	36.948606
"1564975"	216.990906	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+K-2H"	36.948606
"950669"	225.040494	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-H+HCOOH"	44.998194
"367790"	405.082801	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+HCOOH-H"	44.998201
"360808"	419.098451	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+Hac-H"	59.013851
"1507090"	239.056151	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Hac-H"	59.013851
"973175"	247.022451	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-H+NaCOOH"	66.980151
"124755"	215.011702	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+2Cl"	69.938804
"565282"	305.032852	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+2Cl"	69.938804
"1036677"	124.990552	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2Cl"	69.938804
"1256539"	258.961185	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Br"	78.918885
"1319385"	261.017172	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Cl+HCOOH"	80.974872
"1333234"	282.999129	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Cl+NaCOOH"	102.956829
"921012"	293.027886	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M-H+CF3COOH"	112.985586
"1303917"	329.004564	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Cl+CF3COOH"	148.962264
"1382446"	145.029624	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H-2H2O"	-35.012676
"1398201"	163.0396	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H-H2O"	-17.0027
"296347"	361.091876	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+H"	1.007276
"684756"	541.134176	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+H"	1.007276
"1357828"	181.049576	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H"	1.007276
"135093"	181.049576	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+2H"	2.014552
"576843"	271.070726	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+2H"	2.014552
"1039441"	91.028426	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2H"	2.014552
"216466"	121.035476	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+3H"	3.021828
"655663"	181.049576	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+3H"	3.021828
"1175246"	61.021376	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+3H"	3.021828
"432318"	378.118423	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+NH4"	18.033823
"796595"	558.160723	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+NH4"	18.033823
"1689645"	198.076123	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+NH4"	18.033823
"340109"	189.5628495	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+H+NH4"	19.041099
"733624"	279.5839995	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+H+NH4"	19.041099
"1489631"	99.5416995	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H+NH4"	19.041099
"400656"	383.073818	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+Na"	22.989218
"764932"	563.116118	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+Na"	22.989218
"1608658"	203.031518	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Na"	22.989218
"328538"	192.040547	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+H+Na"	23.996494
"718774"	282.061697	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+H+Na"	23.996494
"1469320"	102.019397	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H+Na"	23.996494
"1064754"	68.34869	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2H+Na"	25.00377
"1267524"	213.075786	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+CH3OH+H"	33.033486
"383911"	399.047758	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+K"	38.963158
"749281"	579.090058	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+K"	38.963158
"1549143"	219.005458	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+K"	38.963158
"304136"	200.027517	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+H+K"	39.970434
"698744"	290.048667	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+H+K"	39.970434
"1460226"	110.006367	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H+K"	39.970434
"246639"	402.118426	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+ACN+H"	42.033826
"1219348"	222.076126	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+ACN+H"	42.033826
"1204326"	111.541701	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+ACN+2H"	43.041102
"200112"	405.05576	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+2Na-H"	44.97116
"636757"	585.09806	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+2Na-H"	44.97116
"1140263"	225.01346	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2Na-H"	44.97116
"185375"	203.031518	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+2Na"	45.978436
"626759"	293.052668	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+2Na"	45.978436
"1129536"	113.010368	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2Na"	45.978436
"1411239"	75.676004	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H+2Na"	46.985712
"1441169"	227.055046	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H+HCOOH"	47.012746
"235235"	208.06454	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+3H2O+2H"	56.04448
"1520013"	241.10709	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+IsoProp+H"	61.06479
"420795"	211.018488	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+Na+K"	61.952376
"782161"	301.039638	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+Na+K"	61.952376
"1677761"	120.997338	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Na+K"	61.952376
"261364"	424.100368	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+ACN+Na"	64.015768
"1235169"	244.058068	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+ACN+Na"	64.015768
"1719681"	244.081593	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+NH4+HCOOH"	64.039293
"1186126"	83.003318	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+3Na"	68.967654
"1659299"	249.036988	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Na+HCOOH"	68.994688
"167255"	437.00364	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+2K-H"	76.91904
"601711"	617.04594	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+2K-H"	76.91904
"1087682"	256.96134	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2K-H"	76.91904
"147050"	219.005458	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"2M+2K"	77.926316
"585516"	309.026608	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"3M+2K"	77.926316
"1076588"	128.984308	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2K"	77.926316
"1104331"	258.975892	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2K+H"	78.933592
"1340715"	259.063507	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+DMSO+H"	79.021207
"1010338"	263.102676	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2ACN+H"	83.060376
"1525790"	264.096308	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+IsoProp+Na+H"	84.054008
"1003673"	132.054976	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+2ACN+2H"	84.067652
"1592708"	265.010928	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+K+HCOOH"	84.968628
"1423837"	295.042438	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+H+CF3COOH"	115.000138
"1158501"	152.568251	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+3ACN+2H"	125.094202
"1703678"	312.068985	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+NH4+CF3COOH"	132.026685
"1638235"	317.02438	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+Na+CF3COOH"	136.98208
"1574979"	332.99832	"C01481"	"Caffeate;Caffeic acid;34-Dihydroxycinnamic acid"	"C9H8O4"	"180.0423"	"M+K+CF3COOH"	152.95602
"808626"	208.0888	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M"	0
"982159"	189.07041	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-H2O-H"	-19.01839
"74775"	137.718590666667	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M-3H"	-3.021828
"515065"	207.081524	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M-3H"	-3.021828
"892139"	68.3556573333333	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-3H"	-3.021828
"12900"	207.081524	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M-2H"	-2.014552
"451368"	311.125924	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M-2H"	-2.014552
"823702"	103.037124	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-2H"	-2.014552
"83692"	415.170324	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M-H"	-1.007276
"526535"	623.259124	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M-H"	-1.007276
"906523"	207.081524	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-H"	-1.007276
"58711"	432.196871	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M-2H+NH4"	16.019271
"497180"	640.285671	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M-2H+NH4"	16.019271
"874982"	224.108071	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-2H+NH4"	16.019271
"39603"	437.152266	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M-2H+Na"	20.974666
"480259"	645.241066	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M-2H+Na"	20.974666
"863774"	229.063466	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-2H+Na"	20.974666
"1633063"	229.063466	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Na-2H"	20.974666
"109841"	225.069863	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M-H+Cl"	33.962126
"549727"	329.114263	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M-H+Cl"	33.962126
"942142"	121.025463	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-H+Cl"	33.962126
"282196"	451.147002	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+Cl"	34.969402
"674862"	659.235802	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+Cl"	34.969402
"1275113"	243.058202	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Cl"	34.969402
"16209"	453.126206	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M-2H+K"	36.948606
"460513"	661.215006	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M-2H+K"	36.948606
"839409"	245.037406	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-2H+K"	36.948606
"1560711"	245.037406	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+K-2H"	36.948606
"948591"	253.086994	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-H+HCOOH"	44.998194
"365349"	461.175801	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+HCOOH-H"	44.998201
"361243"	475.191451	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+Hac-H"	59.013851
"1507849"	267.102651	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Hac-H"	59.013851
"973848"	275.068951	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-H+NaCOOH"	66.980151
"125269"	243.058202	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+2Cl"	69.938804
"565193"	347.102602	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+2Cl"	69.938804
"1036827"	139.013802	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2Cl"	69.938804
"1256889"	287.007685	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Br"	78.918885
"1318765"	289.063672	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Cl+HCOOH"	80.974872
"1331521"	311.045629	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Cl+NaCOOH"	102.956829
"926838"	321.074386	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M-H+CF3COOH"	112.985586
"1303542"	357.051064	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Cl+CF3COOH"	148.962264
"1381460"	173.076124	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H-2H2O"	-35.012676
"1393852"	191.0861	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H-H2O"	-17.0027
"295365"	417.184876	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+H"	1.007276
"685961"	625.273676	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+H"	1.007276
"1357938"	209.096076	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H"	1.007276
"134109"	209.096076	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+2H"	2.014552
"576224"	313.140476	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+2H"	2.014552
"1038458"	105.051676	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2H"	2.014552
"213658"	139.733142666667	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+3H"	3.021828
"655407"	209.096076	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+3H"	3.021828
"1175355"	70.3702093333333	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+3H"	3.021828
"432429"	434.211423	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+NH4"	18.033823
"795612"	642.300223	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+NH4"	18.033823
"1691942"	226.122623	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+NH4"	18.033823
"340219"	217.6093495	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+H+NH4"	19.041099
"732640"	321.6537495	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+H+NH4"	19.041099
"1489741"	113.5649495	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H+NH4"	19.041099
"404046"	439.166818	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+Na"	22.989218
"766137"	647.255618	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+Na"	22.989218
"1612048"	231.078018	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Na"	22.989218
"323182"	220.087047	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+H+Na"	23.996494
"720586"	324.131447	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+H+Na"	23.996494
"1470523"	116.042647	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H+Na"	23.996494
"1061584"	77.6975233333333	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2H+Na"	25.00377
"1266540"	241.122286	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+CH3OH+H"	33.033486
"386207"	455.140758	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+K"	38.963158
"751212"	663.229558	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+K"	38.963158
"1544879"	247.051958	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+K"	38.963158
"302060"	228.074017	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+H+K"	39.970434
"694480"	332.118417	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+H+K"	39.970434
"1455962"	124.029617	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H+K"	39.970434
"243468"	458.211426	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+ACN+H"	42.033826
"1216177"	250.122626	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+ACN+H"	42.033826
"1204434"	125.564951	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+ACN+2H"	43.041102
"196213"	461.14876	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+2Na-H"	44.97116
"635774"	669.23756	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+2Na-H"	44.97116
"1141467"	253.05996	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2Na-H"	44.97116
"184392"	231.078018	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+2Na"	45.978436
"625411"	335.122418	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+2Na"	45.978436
"1127826"	127.033618	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2Na"	45.978436
"1413455"	85.0248373333333	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H+2Na"	46.985712
"1442371"	255.101546	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H+HCOOH"	47.012746
"234981"	236.11104	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+3H2O+2H"	56.04448
"1521947"	269.15359	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+IsoProp+H"	61.06479
"424068"	239.064988	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+Na+K"	61.952376
"782999"	343.109388	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+Na+K"	61.952376
"1678235"	135.020588	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Na+K"	61.952376
"262567"	480.193368	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+ACN+Na"	64.015768
"1235278"	272.104568	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+ACN+Na"	64.015768
"1717604"	272.128093	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+NH4+HCOOH"	64.039293
"1186237"	92.3521513333333	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+3Na"	68.967654
"1657222"	277.083488	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Na+HCOOH"	68.994688
"167365"	493.09664	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+2K-H"	76.91904
"604740"	701.18544	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+2K-H"	76.91904
"1097998"	285.00784	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2K-H"	76.91904
"143880"	247.051958	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"2M+2K"	77.926316
"586721"	351.096358	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"3M+2K"	77.926316
"1074511"	143.007558	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2K"	77.926316
"1104440"	287.022392	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2K+H"	78.933592
"1339002"	287.110007	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+DMSO+H"	79.021207
"1009354"	291.149176	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2ACN+H"	83.060376
"1525294"	292.142808	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+IsoProp+Na+H"	84.054008
"1000501"	146.078226	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+2ACN+2H"	84.067652
"1598285"	293.057428	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+K+HCOOH"	84.968628
"1421761"	323.088938	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+H+CF3COOH"	115.000138
"1158611"	166.591501	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+3ACN+2H"	125.094202
"1707068"	340.115485	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+NH4+CF3COOH"	132.026685
"1638345"	345.07088	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+Na+CF3COOH"	136.98208
"1575089"	361.04482	"C01484"	"Chalcone;Benzylideneacetophenone;13-Diphenyl-2-propen-1-one"	"C15H12O"	"208.0888"	"M+K+CF3COOH"	152.95602
"809829"	83.9614	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M"	0
"985549"	64.94301	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-H2O-H"	-19.01839
"71605"	54.9669906666667	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M-3H"	-3.021828
"510071"	82.954124	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M-3H"	-3.021828
"890793"	26.9798573333333	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-3H"	-3.021828
"13740"	82.954124	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M-2H"	-2.014552
"450385"	124.934824	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M-2H"	-2.014552
"827092"	40.973424	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-2H"	-2.014552
"88177"	166.915524	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M-H"	-1.007276
"526645"	250.876924	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M-H"	-1.007276
"904447"	82.954124	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-H"	-1.007276
"58821"	183.942071	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M-2H+NH4"	16.019271
"499843"	267.903471	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M-2H+NH4"	16.019271
"872904"	99.980671	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-2H+NH4"	16.019271
"41901"	188.897466	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M-2H+Na"	20.974666
"480369"	272.858866	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M-2H+Na"	20.974666
"861453"	104.936066	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-2H+Na"	20.974666
"1632080"	104.936066	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Na-2H"	20.974666
"109826"	100.942463	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M-H+Cl"	33.962126
"549024"	142.923163	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M-H+Cl"	33.962126
"932936"	58.961763	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-H+Cl"	33.962126
"275866"	202.892202	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+Cl"	34.969402
"673998"	286.853602	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+Cl"	34.969402
"1277410"	118.930802	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Cl"	34.969402
"16115"	204.871406	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M-2H+K"	36.948606
"459530"	288.832806	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M-2H+K"	36.948606
"835143"	120.910006	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-2H+K"	36.948606
"1561914"	120.910006	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+K-2H"	36.948606
"948701"	128.959594	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-H+HCOOH"	44.998194
"368014"	212.921001	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+HCOOH-H"	44.998201
"361288"	226.936651	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+Hac-H"	59.013851
"1508310"	142.975251	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Hac-H"	59.013851
"974109"	150.941551	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-H+NaCOOH"	66.980151
"125578"	118.930802	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+2Cl"	69.938804
"564409"	160.911502	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+2Cl"	69.938804
"1036367"	76.950102	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2Cl"	69.938804
"1256670"	162.880285	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Br"	78.918885
"1319483"	164.936272	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Cl+HCOOH"	80.974872
"1333818"	186.918229	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Cl+NaCOOH"	102.956829
"926214"	196.946986	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M-H+CF3COOH"	112.985586
"1302924"	232.923664	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Cl+CF3COOH"	148.962264
"1381207"	48.948724	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H-2H2O"	-35.012676
"1393962"	66.9587	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H-H2O"	-17.0027
"296569"	168.930076	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+H"	1.007276
"686800"	252.891476	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+H"	1.007276
"1354768"	84.968676	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H"	1.007276
"132031"	84.968676	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+2H"	2.014552
"576698"	126.949376	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+2H"	2.014552
"1037840"	42.987976	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2H"	2.014552
"215588"	56.9815426666667	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+3H"	3.021828
"657702"	84.968676	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+3H"	3.021828
"1175830"	28.9944093333333	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+3H"	3.021828
"433632"	185.956623	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+NH4"	18.033823
"796817"	269.918023	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+NH4"	18.033823
"1690960"	101.995223	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+NH4"	18.033823
"337049"	93.4819495	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+H+NH4"	19.041099
"732750"	135.4626495	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+H+NH4"	19.041099
"1491917"	51.5012495	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H+NH4"	19.041099
"404156"	190.912018	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+Na"	22.989218
"762966"	274.873418	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+Na"	22.989218
"1613251"	106.950618	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Na"	22.989218
"324385"	95.959647	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+H+Na"	23.996494
"721547"	137.940347	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+H+Na"	23.996494
"1468080"	53.978947	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H+Na"	23.996494
"1059505"	36.3217233333333	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2H+Na"	25.00377
"1267742"	116.994886	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+CH3OH+H"	33.033486
"386317"	206.885958	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+K"	38.963158
"750594"	290.847358	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+K"	38.963158
"1544990"	122.924558	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+K"	38.963158
"301440"	103.946617	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+H+K"	39.970434
"694590"	145.927317	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+H+K"	39.970434
"1454979"	61.965917	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H+K"	39.970434
"241391"	209.956626	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+ACN+H"	42.033826
"1217381"	125.995226	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+ACN+H"	42.033826
"1200171"	63.501251	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+ACN+2H"	43.041102
"197416"	212.89396	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+2Na-H"	44.97116
"635884"	296.85536	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+2Na-H"	44.97116
"1136474"	128.93256	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2Na-H"	44.97116
"180493"	106.950618	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+2Na"	45.978436
"625521"	148.931318	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+2Na"	45.978436
"1129029"	64.969918	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2Na"	45.978436
"1413281"	43.6490373333333	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H+2Na"	46.985712
"1441388"	130.974146	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H+HCOOH"	47.012746
"234728"	111.98364	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+3H2O+2H"	56.04448
"1522788"	145.02619	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+IsoProp+H"	61.06479
"423206"	114.937588	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+Na+K"	61.952376
"779828"	156.918288	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+Na+K"	61.952376
"1676157"	72.956888	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Na+K"	61.952376
"262677"	231.938568	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+ACN+Na"	64.015768
"1234294"	147.977168	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+ACN+Na"	64.015768
"1717714"	148.000693	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+NH4+HCOOH"	64.039293
"1186346"	50.9763513333333	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+3Na"	68.967654
"1657332"	152.956088	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Na+HCOOH"	68.994688
"164195"	244.84184	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+2K-H"	76.91904
"602662"	328.80324	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+2K-H"	76.91904
"1094828"	160.88044	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2K-H"	76.91904
"146178"	122.924558	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"2M+2K"	77.926316
"586831"	164.905258	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"3M+2K"	77.926316
"1074622"	80.943858	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2K"	77.926316
"1101634"	162.894992	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2K+H"	78.933592
"1337046"	162.982607	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+DMSO+H"	79.021207
"1007278"	167.021776	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2ACN+H"	83.060376
"1525400"	168.015408	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+IsoProp+Na+H"	84.054008
"1000610"	84.014526	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+2ACN+2H"	84.067652
"1598395"	168.930028	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+K+HCOOH"	84.968628
"1422964"	198.961538	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+H+CF3COOH"	115.000138
"1159814"	104.527801	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+3ACN+2H"	125.094202
"1707178"	215.988085	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+NH4+CF3COOH"	132.026685
"1636268"	220.94348	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+Na+CF3COOH"	136.98208
"1575199"	236.91742	"C01485"	"Chloric acid;Chlorate"	"HClO3"	"83.9614"	"M+K+CF3COOH"	152.95602
"809939"	67.9665	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M"	0
"985659"	48.94811	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-H2O-H"	-19.01839
"71715"	44.303724	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M-3H"	-3.021828
"510181"	66.959224	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M-3H"	-3.021828
"891266"	21.648224	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-3H"	-3.021828
"7654"	66.959224	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M-2H"	-2.014552
"451588"	100.942474	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M-2H"	-2.014552
"826109"	32.975974	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-2H"	-2.014552
"90474"	134.925724	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M-H"	-1.007276
"521650"	202.892224	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M-H"	-1.007276
"906744"	66.959224	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-H"	-1.007276
"58931"	151.952271	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M-2H+NH4"	16.019271
"496306"	219.918771	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M-2H+NH4"	16.019271
"877267"	83.985771	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-2H+NH4"	16.019271
"43104"	156.907666	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M-2H+Na"	20.974666
"480479"	224.874166	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M-2H+Na"	20.974666
"859377"	88.941166	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-2H+Na"	20.974666
"1631828"	88.941166	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Na-2H"	20.974666
"107625"	84.947563	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M-H+Cl"	33.962126
"548159"	118.930813	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M-H+Cl"	33.962126
"936326"	50.964313	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-H+Cl"	33.962126
"273789"	170.902402	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+Cl"	34.969402
"673865"	238.868902	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+Cl"	34.969402
"1274240"	102.935902	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Cl"	34.969402
"16266"	172.881606	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M-2H+K"	36.948606
"458547"	240.848106	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M-2H+K"	36.948606
"834160"	104.915106	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-2H+K"	36.948606
"1563118"	104.915106	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+K-2H"	36.948606
"946625"	112.964694	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-H+HCOOH"	44.998194
"368124"	180.931201	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+HCOOH-H"	44.998201
"361178"	194.946851	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+Hac-H"	59.013851
"1508067"	126.980351	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Hac-H"	59.013851
"971673"	134.946651	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-H+NaCOOH"	66.980151
"122399"	102.935902	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+2Cl"	69.938804
"563056"	136.919152	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+2Cl"	69.938804
"1032948"	68.952652	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2Cl"	69.938804
"1254713"	146.885385	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Br"	78.918885
"1319229"	148.941372	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Cl+HCOOH"	80.974872
"1335026"	170.923329	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Cl+NaCOOH"	102.956829
"925474"	180.952086	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M-H+CF3COOH"	112.985586
"1302549"	216.928764	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Cl+CF3COOH"	148.962264
"1381317"	32.953824	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H-2H2O"	-35.012676
"1396506"	50.9638	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H-H2O"	-17.0027
"295218"	136.940276	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+H"	1.007276
"686911"	204.906776	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+H"	1.007276
"1354878"	68.973776	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H"	1.007276
"130319"	68.973776	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+2H"	2.014552
"576808"	102.957026	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+2H"	2.014552
"1038192"	34.990526	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2H"	2.014552
"213875"	46.318276	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+3H"	3.021828
"658179"	68.973776	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+3H"	3.021828
"1175575"	23.662776	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+3H"	3.021828
"437022"	153.966823	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+NH4"	18.033823
"799113"	221.933323	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+NH4"	18.033823
"1694350"	86.000323	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+NH4"	18.033823
"341533"	77.4870495	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+H+NH4"	19.041099
"730674"	111.4702995	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+H+NH4"	19.041099
"1491784"	43.5037995	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H+NH4"	19.041099
"404266"	158.922218	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+Na"	22.989218
"764169"	226.888718	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+Na"	22.989218
"1613362"	90.955718	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Na"	22.989218
"325588"	79.964747	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+H+Na"	23.996494
"718009"	113.947997	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+H+Na"	23.996494
"1470743"	45.981497	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H+Na"	23.996494
"1055239"	30.99009	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2H+Na"	25.00377
"1265668"	100.999986	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+CH3OH+H"	33.033486
"388614"	174.896158	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+K"	38.963158
"749611"	242.862658	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+K"	38.963158
"1547288"	106.929658	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+K"	38.963158
"302280"	87.951717	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+H+K"	39.970434
"697980"	121.934967	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+H+K"	39.970434
"1452900"	53.968467	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H+K"	39.970434
"238221"	177.966826	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+ACN+H"	42.033826
"1217491"	110.000326	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+ACN+H"	42.033826
"1201374"	55.503801	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+ACN+2H"	43.041102
"197525"	180.90416	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+2Na-H"	44.97116
"637088"	248.87066	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+2Na-H"	44.97116
"1142782"	112.93766	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2Na-H"	44.97116
"184250"	90.955718	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+2Na"	45.978436
"625270"	124.938968	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+2Na"	45.978436
"1129142"	56.972468	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2Na"	45.978436
"1411936"	38.317404	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H+2Na"	46.985712
"1443685"	114.979246	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H+HCOOH"	47.012746
"233746"	95.98874	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+3H2O+2H"	56.04448
"1521442"	129.03129	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+IsoProp+H"	61.06479
"423680"	98.942688	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+Na+K"	61.952376
"782490"	132.925938	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+Na+K"	61.952376
"1675175"	64.959438	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Na+K"	61.952376
"262059"	199.948768	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+ACN+Na"	64.015768
"1236228"	131.982268	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+ACN+Na"	64.015768
"1717824"	132.005793	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+NH4+HCOOH"	64.039293
"1188644"	45.644718	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+3Na"	68.967654
"1661817"	136.961188	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Na+HCOOH"	68.994688
"166492"	212.85204	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+2K-H"	76.91904
"606052"	280.81854	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+2K-H"	76.91904
"1097004"	144.88554	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2K-H"	76.91904
"150662"	106.929658	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"2M+2K"	77.926316
"589128"	140.912908	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"3M+2K"	77.926316
"1075825"	72.946408	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2K"	77.926316
"1104659"	146.900092	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2K+H"	78.933592
"1338129"	146.987707	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+DMSO+H"	79.021207
"1010669"	151.026876	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2ACN+H"	83.060376
"1525877"	152.020508	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+IsoProp+Na+H"	84.054008
"997439"	76.017076	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+2ACN+2H"	84.067652
"1596318"	152.935128	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+K+HCOOH"	84.968628
"1423074"	182.966638	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+H+CF3COOH"	115.000138
"1159924"	96.530351	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+3ACN+2H"	125.094202
"1707288"	199.993185	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+NH4+CF3COOH"	132.026685
"1636378"	204.94858	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+Na+CF3COOH"	136.98208
"1575309"	220.92252	"C01486"	"Chlorous acid;Chlorite"	"HClO2"	"67.9665"	"M+K+CF3COOH"	152.95602
"810049"	180.0634	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M"	0
"985769"	161.04501	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"69638"	119.034990666667	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"508103"	179.056124	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"891376"	59.0138573333333	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8857"	179.056124	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"451698"	269.087824	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"826219"	89.024424	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"90584"	359.119524	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"524677"	539.182924	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"910134"	179.056124	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"60134"	376.146071	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"499696"	556.209471	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877498"	196.082671	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"43214"	381.101466	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"480589"	561.164866	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"860580"	201.038066	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1633031"	201.038066	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"108829"	197.044463	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"548634"	287.076163	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"937531"	107.012763	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"273899"	395.096202	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"674703"	575.159602	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1277630"	215.032802	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"16660"	397.075406	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"458657"	577.138806	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"833298"	217.012006	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1559948"	217.012006	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"945643"	225.061594	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"369327"	405.125001	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"360762"	419.140651	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1506553"	239.077251	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"971415"	247.043551	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"123241"	215.032802	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"563530"	305.064502	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1030867"	125.001102	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1252268"	258.982285	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1317636"	261.038272	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1333309"	283.020229	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"925826"	293.048986	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1303386"	329.025664	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1381669"	145.050724	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1397101"	163.0607	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"298002"	361.134076	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"687021"	541.197476	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1357904"	181.070676	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"130065"	181.070676	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"577647"	271.102376	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1038425"	91.038976	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"210705"	121.049542666667	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"658651"	181.070676	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1173862"	61.0284093333333	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"436038"	378.160623	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"801267"	558.224023	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1691177"	198.097223	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"340549"	189.5839495	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"730783"	279.6156495	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1491165"	99.5522495	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"404376"	383.116018	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"764278"	563.179418	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1615658"	203.052618	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"328250"	192.061647	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"717025"	282.093347	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1474133"	102.029947	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1059724"	68.3557233333333	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1266871"	213.096886	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"388723"	399.089958	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"748625"	579.153358	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1548491"	219.026558	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"303483"	200.048617	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"698091"	290.080317	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1450820"	110.016917	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"242703"	402.160626	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1217599"	222.097226	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1201484"	111.552251	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"198728"	405.09796	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"635375"	585.16136	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1139610"	225.03456	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"179619"	203.052618	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"625378"	293.084318	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1128154"	113.020918	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1411315"	75.6830373333333	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1443793"	227.076146	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"233489"	208.08564	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520821"	241.12819	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"421967"	211.039588	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"780413"	301.071288	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1675285"	121.007888	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"261076"	424.142568	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1237068"	244.079168	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1720850"	244.102693	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1190213"	83.0103513333333	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1661564"	249.058088	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"166602"	437.04584	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"606162"	617.10924	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1093955"	256.98244	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"148586"	219.026558	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"589238"	309.058258	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1075935"	128.994858	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1104769"	258.996992	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1340061"	259.084607	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1010779"	263.123776	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1525988"	264.117408	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"996456"	132.065526	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1597521"	265.032028	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1422091"	295.063538	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1160034"	152.578801	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1707398"	312.090085	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1637581"	317.04548	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1575419"	333.01942	"C01487"	"D-Allose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"814534"	150.0528	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M"	0
"985879"	131.03441	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"68655"	99.027924	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"510402"	149.045524	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"889303"	49.010324	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"11154"	149.045524	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"453631"	224.071924	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"826330"	74.019124	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"88508"	299.098324	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"526974"	449.151124	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"908057"	149.045524	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"62190"	316.124871	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"496526"	466.177671	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"877608"	166.072071	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"42231"	321.080266	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"480699"	471.133066	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"861782"	171.027466	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1631315"	171.027466	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"108938"	167.033863	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"546310"	242.060263	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"938370"	92.007463	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"277292"	335.075002	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"674083"	485.127802	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1274461"	185.022202	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"16121"	337.054206	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"457673"	487.107006	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"834012"	187.001406	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1558964"	187.001406	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"947941"	195.050994	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"372718"	345.103801	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"360991"	359.119451	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1506540"	209.066651	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"972620"	217.032951	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"124446"	185.022202	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"565102"	260.048602	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1033896"	109.995802	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1256394"	228.971685	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1319207"	231.027672	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1332326"	253.009629	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"924478"	263.038386	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1302281"	299.015064	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1380077"	115.040124	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1398063"	133.0501	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"295438"	301.112876	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"687131"	451.165676	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1359109"	151.060076	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"129083"	151.060076	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"567545"	226.086476	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1038899"	76.033676	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"217010"	101.042476	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"657668"	151.060076	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1173972"	51.024876	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"438702"	318.139423	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"800791"	468.192223	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1694570"	168.086623	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"340661"	159.5733495	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"733082"	234.5997495	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1482528"	84.5469495	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"404486"	323.094818	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"764388"	473.147618	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1612488"	173.042018	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"322527"	162.051047	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"714949"	237.077447	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1475335"	87.024647	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1064210"	58.35219	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1269166"	183.086286	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"387743"	339.068758	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"750925"	489.121558	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1550789"	189.015958	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"299586"	170.038017	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"696016"	245.064417	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1447651"	95.011617	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"240627"	342.139426	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1219896"	192.086626	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1196124"	96.546951	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"198838"	345.07676	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"637672"	495.12956	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1141907"	195.02396	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"181187"	173.042018	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"625120"	248.068418	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1126805"	98.015618	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1412517"	65.679504	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1444631"	197.065546	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"231408"	178.07504	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1522023"	211.11759	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"423169"	181.028988	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"776877"	256.055388	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1675759"	106.002588	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"261550"	364.121368	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1235355"	214.068568	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1720960"	214.092093	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1188501"	73.006818	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1660580"	219.047488	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"166712"	377.02464	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"606272"	527.07744	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1092971"	226.97184	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"148693"	189.015958	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"587161"	264.042358	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1073858"	113.989558	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1105971"	228.986392	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1341264"	229.074007	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1010159"	233.113176	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1527191"	234.106808	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"996566"	117.060226	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1597631"	235.021428	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1426578"	265.052938	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1161968"	137.573501	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1709697"	282.079485	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1642066"	287.03488	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1575529"	303.00882	"C01488"	"D-Apiose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"810269"	182.079	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M"	0
"985989"	163.06061	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-H2O-H"	-19.01839
"68765"	120.378724	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M-3H"	-3.021828
"509419"	181.071724	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M-3H"	-3.021828
"890506"	59.685724	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-3H"	-3.021828
"11264"	181.071724	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M-2H"	-2.014552
"451919"	272.111224	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M-2H"	-2.014552
"826440"	90.032224	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-2H"	-2.014552
"85338"	363.150724	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M-H"	-1.007276
"527084"	545.229724	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M-H"	-1.007276
"908167"	181.071724	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-H"	-1.007276
"61815"	380.177271	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M-2H+NH4"	16.019271
"499916"	562.256271	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M-2H+NH4"	16.019271
"874438"	198.098271	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-2H+NH4"	16.019271
"42341"	385.132666	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M-2H+Na"	20.974666
"480809"	567.211666	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M-2H+Na"	20.974666
"861892"	203.053666	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-2H+Na"	20.974666
"1632518"	203.053666	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Na-2H"	20.974666
"106862"	199.060063	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M-H+Cl"	33.962126
"547515"	290.099563	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M-H+Cl"	33.962126
"939575"	108.020563	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-H+Cl"	33.962126
"280684"	399.127402	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+Cl"	34.969402
"673100"	581.206402	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+Cl"	34.969402
"1275664"	217.048402	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Cl"	34.969402
"18219"	401.106606	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M-2H+K"	36.948606
"456689"	583.185606	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M-2H+K"	36.948606
"833881"	219.027606	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-2H+K"	36.948606
"1559074"	219.027606	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+K-2H"	36.948606
"949144"	227.077194	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-H+HCOOH"	44.998194
"368454"	409.156201	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+HCOOH-H"	44.998201
"360005"	423.171851	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+Hac-H"	59.013851
"1507380"	241.092851	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Hac-H"	59.013851
"971273"	249.059151	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-H+NaCOOH"	66.980151
"124556"	217.048402	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+2Cl"	69.938804
"565496"	308.087902	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+2Cl"	69.938804
"1034008"	126.008902	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2Cl"	69.938804
"1255410"	260.997885	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Br"	78.918885
"1319564"	263.053872	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Cl+HCOOH"	80.974872
"1333895"	285.035829	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Cl+NaCOOH"	102.956829
"925316"	295.064586	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M-H+CF3COOH"	112.985586
"1302024"	331.041264	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Cl+CF3COOH"	148.962264
"1379823"	147.066324	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H-2H2O"	-35.012676
"1395136"	165.0763	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H-H2O"	-17.0027
"293363"	365.165276	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+H"	1.007276
"684691"	547.244276	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+H"	1.007276
"1358127"	183.086276	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H"	1.007276
"131016"	183.086276	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+2H"	2.014552
"570939"	274.125776	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+2H"	2.014552
"1040832"	92.046776	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2H"	2.014552
"210923"	122.393276	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+3H"	3.021828
"651577"	183.086276	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+3H"	3.021828
"1172983"	61.700276	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+3H"	3.021828
"429695"	382.191823	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+NH4"	18.033823
"797256"	564.270823	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+NH4"	18.033823
"1692493"	200.112823	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+NH4"	18.033823
"339678"	191.5995495	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+H+NH4"	19.041099
"731005"	282.6390495	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+H+NH4"	19.041099
"1482637"	100.5600495	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H+NH4"	19.041099
"395849"	387.147218	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+Na"	22.989218
"761218"	569.226218	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+Na"	22.989218
"1610409"	205.068218	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Na"	22.989218
"316076"	194.077247	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+H+Na"	23.996494
"710687"	285.116747	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+H+Na"	23.996494
"1475445"	103.037747	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H+Na"	23.996494
"1066506"	69.02759	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2H+Na"	25.00377
"1270369"	215.112486	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+CH3OH+H"	33.033486
"385665"	403.121158	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+K"	38.963158
"751035"	585.200158	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+K"	38.963158
"1547618"	221.042158	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+K"	38.963158
"301519"	202.064217	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+H+K"	39.970434
"696125"	293.103717	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+H+K"	39.970434
"1449949"	111.024717	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H+K"	39.970434
"239642"	406.191826	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+ACN+H"	42.033826
"1212349"	224.112826	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+ACN+H"	42.033826
"1194895"	112.560051	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+ACN+2H"	43.041102
"193480"	409.12916	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+2Na-H"	44.97116
"638511"	591.20816	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+2Na-H"	44.97116
"1140923"	227.05016	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2Na-H"	44.97116
"183119"	205.068218	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+2Na"	45.978436
"623773"	296.107718	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+2Na"	45.978436
"1126184"	114.028718	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2Na"	45.978436
"1410437"	76.354904	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H+2Na"	46.985712
"1442190"	229.091746	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H+HCOOH"	47.012746
"231154"	210.10124	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+3H2O+2H"	56.04448
"1519581"	243.14379	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+IsoProp+H"	61.06479
"414894"	213.055188	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+Na+K"	61.952376
"778080"	304.094688	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+Na+K"	61.952376
"1673317"	122.015688	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Na+K"	61.952376
"261660"	428.173768	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+ACN+Na"	64.015768
"1231453"	246.094768	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+ACN+Na"	64.015768
"1715234"	246.118293	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+NH4+HCOOH"	64.039293
"1181316"	83.682218	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+3Na"	68.967654
"1657771"	251.073688	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Na+HCOOH"	68.994688
"162447"	441.07704	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+2K-H"	76.91904
"604194"	623.15604	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+2K-H"	76.91904
"1093081"	258.99804	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2K-H"	76.91904
"150990"	221.042158	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"2M+2K"	77.926316
"582895"	312.081658	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"3M+2K"	77.926316
"1073969"	130.002658	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2K"	77.926316
"1101347"	261.012592	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2K+H"	78.933592
"1339186"	261.100207	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+DMSO+H"	79.021207
"1010996"	265.139376	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2ACN+H"	83.060376
"1526204"	266.133008	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+IsoProp+Na+H"	84.054008
"996676"	133.073326	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+2ACN+2H"	84.067652
"1597741"	267.047628	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+K+HCOOH"	84.968628
"1426689"	297.079138	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+H+CF3COOH"	115.000138
"1160257"	153.586601	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+3ACN+2H"	125.094202
"1710902"	314.105685	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+NH4+CF3COOH"	132.026685
"1642176"	319.06108	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+Na+CF3COOH"	136.98208
"1574546"	335.03502	"C01489"	"D-Iditol"	"C6H14O6"	"182.079"	"M+K+CF3COOH"	152.95602
"815851"	194.0579	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M"	0
"983916"	175.03951	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"69970"	128.364657333333	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"511718"	193.050624	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"889519"	63.6786906666667	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"189"	193.050624	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"444374"	290.079574	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"822178"	96.021674	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"86542"	387.108524	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"525015"	581.166424	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"901724"	193.050624	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"53914"	404.135071	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"494565"	598.192971	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"865806"	210.077171	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"33707"	409.090466	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"477641"	603.148366	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"855441"	215.032566	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1618648"	215.032566	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"106969"	211.038963	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"544343"	308.067913	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"927163"	114.010013	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"267545"	423.085202	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"660816"	617.143102	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1272860"	229.027302	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"15756"	425.064406	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"457895"	619.122306	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"842260"	231.006506	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1565751"	231.006506	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"957771"	239.056094	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"370757"	433.114001	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"360110"	447.129651	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1506755"	253.071751	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"972479"	261.038051	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"122843"	229.027302	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"561672"	326.056252	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1034848"	131.998352	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1255518"	272.976785	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1315414"	275.032772	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1335464"	297.014729	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"926943"	307.043486	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1302864"	343.020164	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1377016"	159.045224	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1384679"	177.0552	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"287642"	389.123076	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"691010"	583.180976	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1365776"	195.065176	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"136963"	195.065176	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"578346"	292.094126	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1044229"	98.036226	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"211037"	130.379209333333	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"656067"	195.065176	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1174194"	65.6932426666667	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"431997"	406.149623	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"795179"	600.207523	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1689324"	212.091723	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"337600"	203.5784495	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"733303"	300.6073995	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1489310"	106.5494995	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"404713"	411.105018	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"765713"	605.162918	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1613811"	217.047118	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"324942"	206.056147	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"717363"	303.085097	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1473371"	109.027197	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1064430"	73.0205566666667	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1268293"	227.091386	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"384688"	427.078958	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"743497"	621.136858	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1546643"	233.021058	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"308193"	214.043117	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"700615"	311.072067	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1451154"	117.014167	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"244132"	430.149626	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1217934"	236.091726	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1208748"	118.549501	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"202712"	433.08696	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"641176"	627.14486	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1143951"	239.02906	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"179220"	217.047118	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"615499"	314.076068	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1124474"	120.018168	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1401436"	80.3478706666667	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1439750"	241.070646	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"230541"	222.08014	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1518604"	255.12269	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"422668"	225.034088	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"781478"	322.063038	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1676714"	128.005138	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"258857"	452.131568	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1228284"	258.073668	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1713278"	258.097193	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1180337"	87.6751846666667	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1652049"	263.052588	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"160003"	465.03484	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"601022"	659.09274	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1092094"	270.97694	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"148911"	233.021058	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"584097"	330.050008	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1068974"	135.992108	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1107292"	272.991492	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1349156"	273.079107	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1018415"	277.118276	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1539422"	278.111908	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"1003721"	139.062776	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1602357"	279.026528	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1424610"	309.058038	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1157086"	159.576051	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1706639"	326.084585	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1639009"	331.03998	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1583407"	347.01392	"C01494"	"Ferulate;Ferulic acid;4-Hydroxy-3-methoxycinnamic acid;3-Methoxy-4-hydroxy-trans-cinnamate;4-Hydroxy-3-methoxycinnamate"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"807212"	238.063	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M"	0
"978558"	219.04461	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-H2O-H"	-19.01839
"66800"	157.701390666667	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M-3H"	-3.021828
"507452"	237.055724	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M-3H"	-3.021828
"885256"	78.3470573333333	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-3H"	-3.021828
"791"	237.055724	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M-2H"	-2.014552
"446671"	356.087224	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M-2H"	-2.014552
"823382"	118.024224	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-2H"	-2.014552
"83373"	475.118724	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M-H"	-1.007276
"524032"	713.181724	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M-H"	-1.007276
"901834"	237.055724	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-H"	-1.007276
"55117"	492.145271	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M-2H+NH4"	16.019271
"494675"	730.208271	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M-2H+NH4"	16.019271
"870290"	254.082271	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-2H+NH4"	16.019271
"33818"	497.100666	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M-2H+Na"	20.974666
"478846"	735.163666	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M-2H+Na"	20.974666
"855552"	259.037666	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-2H+Na"	20.974666
"1622898"	259.037666	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Na-2H"	20.974666
"103799"	255.044063	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M-H+Cl"	33.962126
"547732"	374.075563	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M-H+Cl"	33.962126
"928491"	136.012563	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-H+Cl"	33.962126
"268020"	511.095402	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+Cl"	34.969402
"662749"	749.158402	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+Cl"	34.969402
"1273692"	273.032402	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Cl"	34.969402
"16369"	513.074606	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M-2H+K"	36.948606
"459098"	751.137606	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M-2H+K"	36.948606
"844558"	275.011606	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-2H+K"	36.948606
"1566955"	275.011606	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+K-2H"	36.948606
"958164"	283.061194	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-H+HCOOH"	44.998194
"375606"	521.124201	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+HCOOH-H"	44.998201
"360220"	535.139851	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+Hac-H"	59.013851
"1505774"	297.076851	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Hac-H"	59.013851
"971860"	305.043151	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-H+NaCOOH"	66.980151
"123683"	273.032402	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+2Cl"	69.938804
"562146"	392.063902	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+2Cl"	69.938804
"1034958"	154.000902	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2Cl"	69.938804
"1254899"	316.981885	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Br"	78.918885
"1314795"	319.037872	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Cl+HCOOH"	80.974872
"1334481"	341.019829	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Cl+NaCOOH"	102.956829
"926268"	351.048586	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M-H+CF3COOH"	112.985586
"1303709"	387.025264	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Cl+CF3COOH"	148.962264
"1377126"	203.050324	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H-2H2O"	-35.012676
"1383693"	221.0603	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H-H2O"	-17.0027
"285566"	477.133276	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+H"	1.007276
"677990"	715.196276	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+H"	1.007276
"1366007"	239.070276	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H"	1.007276
"140723"	239.070276	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+2H"	2.014552
"576634"	358.101776	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+2H"	2.014552
"1046529"	120.038776	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2H"	2.014552
"214429"	159.715942666667	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+3H"	3.021828
"656177"	239.070276	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+3H"	3.021828
"1176491"	80.3616093333333	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+3H"	3.021828
"434294"	494.159823	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+NH4"	18.033823
"797475"	732.222823	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+NH4"	18.033823
"1691620"	256.096823	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+NH4"	18.033823
"337710"	247.5835495	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+H+NH4"	19.041099
"734505"	366.6150495	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+H+NH4"	19.041099
"1486140"	128.5520495	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H+NH4"	19.041099
"405551"	499.115218	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+Na"	22.989218
"764366"	737.178218	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+Na"	22.989218
"1612828"	261.052218	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Na"	22.989218
"326145"	250.061247	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+H+Na"	23.996494
"716380"	369.092747	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+H+Na"	23.996494
"1473482"	131.029747	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H+Na"	23.996494
"1065634"	87.6889233333333	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2H+Na"	25.00377
"1268404"	271.096486	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+CH3OH+H"	33.033486
"382610"	515.089158	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+K"	38.963158
"743607"	753.152158	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+K"	38.963158
"1545660"	277.026158	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+K"	38.963158
"298824"	258.048217	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+H+K"	39.970434
"694162"	377.079717	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+H+K"	39.970434
"1446159"	139.016717	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H+K"	39.970434
"244242"	518.159826	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+ACN+H"	42.033826
"1212940"	280.096826	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+ACN+H"	42.033826
"1207766"	140.552051	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+ACN+2H"	43.041102
"195893"	521.09716	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+2Na-H"	44.97116
"636546"	759.16016	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+2Na-H"	44.97116
"1137499"	283.03416	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2Na-H"	44.97116
"177143"	261.052218	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+2Na"	45.978436
"615609"	380.083718	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+2Na"	45.978436
"1121667"	142.020718	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2Na"	45.978436
"1399235"	95.0162373333333	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H+2Na"	46.985712
"1432205"	285.075746	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H+HCOOH"	47.012746
"228464"	266.08524	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+3H2O+2H"	56.04448
"1519807"	299.12779	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+IsoProp+H"	61.06479
"421319"	269.039188	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+Na+K"	61.952376
"782681"	388.070688	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+Na+K"	61.952376
"1676824"	150.007688	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Na+K"	61.952376
"258967"	540.141768	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+ACN+Na"	64.015768
"1228394"	302.078768	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+ACN+Na"	64.015768
"1712908"	302.102293	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+NH4+HCOOH"	64.039293
"1178783"	102.343551333333	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+3Na"	68.967654
"1651064"	307.057688	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Na+HCOOH"	68.994688
"158656"	553.04504	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+2K-H"	76.91904
"602226"	791.10804	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+2K-H"	76.91904
"1091112"	314.98204	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2K-H"	76.91904
"146834"	277.026158	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"2M+2K"	77.926316
"583477"	396.057658	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"3M+2K"	77.926316
"1070540"	157.994658	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2K"	77.926316
"1102298"	316.996592	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2K+H"	78.933592
"1345623"	317.084207	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+DMSO+H"	79.021207
"1016339"	321.123376	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2ACN+H"	83.060376
"1533736"	322.117008	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+IsoProp+Na+H"	84.054008
"1003831"	161.065326	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+2ACN+2H"	84.067652
"1601616"	323.031628	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+K+HCOOH"	84.968628
"1423627"	353.063138	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+H+CF3COOH"	115.000138
"1155010"	181.578601	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+3ACN+2H"	125.094202
"1706749"	370.089685	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+NH4+CF3COOH"	132.026685
"1639119"	375.04508	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+Na+CF3COOH"	136.98208
"1583517"	391.01902	"C01495"	"Flavonol"	"C15H10O3"	"238.063"	"M+K+CF3COOH"	152.95602
"810604"	152.1201	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M"	0
"980856"	133.10171	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"74566"	100.406124	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"511940"	151.112824	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"883180"	49.699424	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"6129"	151.112824	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"446784"	227.172874	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"826779"	75.052774	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"85677"	303.232924	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"521955"	455.353024	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"903039"	151.112824	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"57414"	320.259471	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"498068"	472.379571	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"875869"	168.139371	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"41585"	325.214866	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"476770"	477.334966	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"854573"	173.094766	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1623009"	173.094766	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"96256"	169.101163	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"539097"	245.161213	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"931518"	93.041113	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"269345"	339.209602	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"662501"	491.329702	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1275997"	187.089502	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"22929"	341.188806	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"470770"	493.308906	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"848082"	189.068706	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1570963"	189.068706	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"957506"	197.118294	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"375722"	349.238401	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"360704"	363.254051	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1507712"	211.133951	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"971606"	219.100251	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"124888"	187.089502	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"564084"	263.149552	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1036288"	111.029452	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1256106"	231.038985	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1318188"	233.094972	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1334835"	255.076929	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"919087"	265.105686	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1296898"	301.082364	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1375058"	117.107424	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1395838"	135.1174	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"292241"	305.247476	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"691364"	457.367576	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1363201"	153.127376	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H"	1.007276
"137184"	153.127376	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"580025"	229.187426	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1048826"	77.067326	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"218558"	102.420676	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"659332"	153.127376	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1177459"	51.713976	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"436594"	322.274023	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"793216"	474.394123	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1689545"	170.153923	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"340012"	161.6406495	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"735718"	237.7006995	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1482978"	85.5805995	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"395827"	327.229418	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"761562"	479.349518	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1610754"	175.109318	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"316417"	164.118347	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"711388"	240.178397	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1465937"	88.058297	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1059189"	59.04129	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1267430"	185.153586	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"388560"	343.203358	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"749553"	495.323458	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1550146"	191.083258	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+K"	38.963158
"310603"	172.105317	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"703391"	248.165367	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1459036"	96.045267	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"248002"	346.274026	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1222897"	194.153926	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1205687"	97.580601	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"197097"	349.21136	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"635566"	501.33146	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1139071"	197.09126	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"181268"	175.109318	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"620828"	251.169368	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1121051"	99.049268	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1413701"	66.368604	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1444724"	199.132846	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"235574"	180.14234	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1521018"	213.18489	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"422770"	183.096288	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"779512"	259.156338	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1676934"	107.036238	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"262358"	368.255968	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1230692"	216.135868	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1719578"	216.159393	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1179828"	73.695918	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1651543"	221.114788	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"157429"	381.15924	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"597959"	533.27934	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1085393"	229.03914	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"141842"	191.083258	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"588702"	267.143308	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1082336"	115.023208	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1113723"	231.053692	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1348650"	231.141307	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1019368"	235.180476	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1532753"	236.174108	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"998106"	118.093876	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1600266"	237.088728	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1429211"	267.120238	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1159496"	138.607151	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1706860"	284.146785	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1645791"	289.10218	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1583629"	305.07612	"C01499"	"Geranial;trans-Citral"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"810714"	154.1358	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M"	0
"984246"	135.11741	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"68112"	101.749924	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"505488"	153.128524	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"884381"	50.371324	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"6238"	153.128524	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"450173"	230.196424	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828712"	76.060624	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"85787"	307.264324	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"520972"	461.400124	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"902056"	153.128524	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"59347"	324.290871	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"497815"	478.426671	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"877074"	170.155071	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"43154"	329.246266	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"481254"	483.382066	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"855775"	175.110466	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1629678"	175.110466	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"101834"	171.116863	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"542489"	248.184763	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"936002"	94.048963	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"273465"	343.241002	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"661758"	497.376802	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1275013"	189.105202	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"26320"	345.220206	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"470272"	499.356006	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846608"	191.084406	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1570095"	191.084406	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"955793"	199.133994	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"375833"	353.269801	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"357897"	367.285451	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1506360"	213.149651	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"970984"	221.115951	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"122444"	189.105202	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"563099"	266.173102	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1035180"	112.037302	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1255848"	233.054685	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1319516"	235.110672	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1334701"	257.092629	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"919196"	267.121386	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1298101"	303.098064	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1371887"	119.123124	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1393759"	137.1331	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"287977"	309.278876	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"677118"	463.414676	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1358937"	155.143076	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"131824"	155.143076	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"574668"	232.210976	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1048936"	78.075176	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"219275"	103.764476	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"657495"	155.143076	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1176960"	52.385876	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"436704"	326.305423	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"794419"	480.441223	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1685644"	172.169623	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"339029"	163.6563495	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"736922"	240.7242495	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1486367"	86.5884495	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"397396"	331.260818	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"761672"	485.396618	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1611957"	177.125018	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"318714"	166.134047	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"711134"	243.201947	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1468234"	89.066147	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1059299"	59.71319	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1267540"	187.169286	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"390127"	347.234758	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"751487"	501.370558	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1553904"	193.098958	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"310349"	174.121017	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"703501"	251.188917	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1460239"	97.053117	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"248477"	350.305426	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1223371"	196.169626	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1205797"	98.588451	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"197207"	353.24276	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"636769"	507.37856	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1142461"	199.10696	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"181378"	177.125018	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"618751"	254.192918	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1122619"	100.057118	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1413810"	67.040504	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1444831"	201.148546	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"234528"	182.15804	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1517848"	215.20059	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422638"	185.111988	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"780715"	262.179888	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1677045"	108.044088	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"263197"	372.287368	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1230802"	218.151568	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1717501"	218.175093	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1179574"	74.367818	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1650924"	223.130488	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"160334"	385.19064	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"600260"	539.32644	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1088051"	231.05484	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"149241"	193.098958	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"586624"	270.166858	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1080987"	116.031058	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1113103"	233.069392	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1345115"	233.157007	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1017656"	237.196176	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1530676"	238.189808	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"997123"	119.101726	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1600012"	239.104428	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1424945"	269.135938	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1158513"	139.615001	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1703690"	286.162485	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1642621"	291.11788	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1580459"	307.09182	"C01500"	"Geraniol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"810824"	3480.6157	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M"	0
"981076"	3461.59731	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-H2O-H"	-19.01839
"66037"	2319.40319066667	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M-3H"	-3.021828
"505232"	3479.608424	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M-3H"	-3.021828
"884492"	1159.19795733333	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-3H"	-3.021828
"7441"	3479.608424	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M-2H"	-2.014552
"450282"	5219.916274	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M-2H"	-2.014552
"829915"	1739.300574	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-2H"	-2.014552
"85897"	6960.224124	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M-H"	-1.007276
"524362"	10440.839824	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M-H"	-1.007276
"905447"	3479.608424	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-H"	-1.007276
"58728"	6977.250671	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M-2H+NH4"	16.019271
"497196"	10457.866371	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M-2H+NH4"	16.019271
"877548"	3496.634971	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-2H+NH4"	16.019271
"43628"	6982.206066	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M-2H+Na"	20.974666
"482458"	10462.821766	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M-2H+Na"	20.974666
"858072"	3501.590366	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-2H+Na"	20.974666
"1630884"	3501.590366	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Na-2H"	20.974666
"99757"	3497.596763	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M-H+Cl"	33.962126
"545879"	5237.904613	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M-H+Cl"	33.962126
"930644"	1757.288913	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-H+Cl"	33.962126
"268835"	6996.200802	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+Cl"	34.969402
"661139"	10476.816502	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+Cl"	34.969402
"1280592"	3515.585102	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Cl"	34.969402
"24242"	6998.180006	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M-2H+K"	36.948606
"469647"	10478.795706	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M-2H+K"	36.948606
"847447"	3517.564306	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-2H+K"	36.948606
"1570570"	3517.564306	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+K-2H"	36.948606
"956997"	3525.613894	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-H+HCOOH"	44.998194
"375576"	7006.229601	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+HCOOH-H"	44.998201
"358007"	7020.245251	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+Hac-H"	59.013851
"1505744"	3539.629551	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Hac-H"	59.013851
"972191"	3547.595851	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-H+NaCOOH"	66.980151
"123284"	3515.585102	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+2Cl"	69.938804
"563210"	5255.892952	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+2Cl"	69.938804
"1034922"	1775.277252	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2Cl"	69.938804
"1253406"	3559.534585	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Br"	78.918885
"1318042"	3561.590572	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Cl+HCOOH"	80.974872
"1333351"	3583.572529	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Cl+NaCOOH"	102.956829
"918213"	3593.601286	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M-H+CF3COOH"	112.985586
"1296021"	3629.577964	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Cl+CF3COOH"	148.962264
"1371995"	3445.603024	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H-2H2O"	-35.012676
"1391682"	3463.613	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H-H2O"	-17.0027
"288087"	6962.238676	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+H"	1.007276
"677228"	10442.854376	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+H"	1.007276
"1361233"	3481.622976	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H"	1.007276
"131934"	3481.622976	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+2H"	2.014552
"574778"	5221.930826	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+2H"	2.014552
"1049046"	1741.315126	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2H"	2.014552
"219021"	2321.41774266667	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+3H"	3.021828
"659063"	3481.622976	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+3H"	3.021828
"1176460"	1161.21250933333	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+3H"	3.021828
"436814"	6979.265223	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+NH4"	18.033823
"795621"	10459.880923	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+NH4"	18.033823
"1682959"	3498.649523	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+NH4"	18.033823
"340232"	3490.1362495	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+H+NH4"	19.041099
"736305"	5230.4440995	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+H+NH4"	19.041099
"1486477"	1749.8283995	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H+NH4"	19.041099
"399693"	6984.220618	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+Na"	22.989218
"762875"	10464.836318	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+Na"	22.989218
"1612067"	3503.604918	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Na"	22.989218
"317731"	3492.613947	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+H+Na"	23.996494
"708570"	5232.921797	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+H+Na"	23.996494
"1466157"	1752.306097	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H+Na"	23.996494
"1059409"	1168.53982333333	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2H+Na"	25.00377
"1267649"	3513.649186	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+CH3OH+H"	33.033486
"390601"	7000.194558	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+K"	38.963158
"751233"	10480.810258	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+K"	38.963158
"1553649"	3519.578858	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+K"	38.963158
"310459"	3500.600917	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+H+K"	39.970434
"706527"	5240.908767	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+H+K"	39.970434
"1460349"	1760.293067	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H+K"	39.970434
"250044"	7003.265226	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+ACN+H"	42.033826
"1222752"	3522.649526	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+ACN+H"	42.033826
"1208823"	1761.828401	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+ACN+2H"	43.041102
"199141"	7006.20256	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+2Na-H"	44.97116
"636879"	10486.81826	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+2Na-H"	44.97116
"1142571"	3525.58686	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2Na-H"	44.97116
"178208"	3503.604918	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+2Na"	45.978436
"618861"	5243.912768	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+2Na"	45.978436
"1122365"	1763.297068	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2Na"	45.978436
"1413556"	1175.86713733333	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H+2Na"	46.985712
"1444940"	3527.628446	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H+HCOOH"	47.012746
"235002"	3508.63794	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+3H2O+2H"	56.04448
"1517958"	3541.68049	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+IsoProp+H"	61.06479
"419831"	3511.591888	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+Na+K"	61.952376
"778638"	5251.899738	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+Na+K"	61.952376
"1677883"	1771.284038	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Na+K"	61.952376
"263671"	7025.247168	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+ACN+Na"	64.015768
"1232006"	3544.631468	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+ACN+Na"	64.015768
"1717611"	3544.654993	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+NH4+HCOOH"	64.039293
"1179683"	1183.19445133333	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+3Na"	68.967654
"1650913"	3549.610388	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Na+HCOOH"	68.994688
"159715"	7038.15044	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+2K-H"	76.91904
"600370"	10518.76614	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+2K-H"	76.91904
"1085247"	3557.53474	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2K-H"	76.91904
"146072"	3519.578858	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"2M+2K"	77.926316
"587827"	5259.886708	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"3M+2K"	77.926316
"1080004"	1779.271008	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2K"	77.926316
"1113215"	3559.549292	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2K+H"	78.933592
"1346319"	3559.636907	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+DMSO+H"	79.021207
"1019589"	3563.676076	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2ACN+H"	83.060376
"1530786"	3564.669708	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+IsoProp+Na+H"	84.054008
"998326"	1782.341676	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+2ACN+2H"	84.067652
"1593924"	3565.584328	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+K+HCOOH"	84.968628
"1425055"	3595.615838	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+H+CF3COOH"	115.000138
"1158623"	1802.854951	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+3ACN+2H"	125.094202
"1703800"	3612.642385	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+NH4+CF3COOH"	132.026685
"1642731"	3617.59778	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+Na+CF3COOH"	136.98208
"1580569"	3633.57172	"C01501"	"Glucagon"	"C153H225N43O49S"	"3480.6157"	"M+K+CF3COOH"	152.95602
"810934"	124.0524	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M"	0
"984466"	105.03401	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"67240"	81.694324	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"506800"	123.045124	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"884602"	40.343524	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"6458"	123.045124	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"450392"	185.071324	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"831484"	61.018924	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"88194"	247.097524	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"524472"	371.149924	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"906650"	123.045124	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"58474"	264.124071	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"498400"	388.176471	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"877294"	140.071671	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"44467"	269.079466	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"479288"	393.131866	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"859275"	145.027066	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1631359"	145.027066	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"102054"	141.033463	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"544896"	203.059663	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"929660"	79.007263	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"267605"	283.074202	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"662829"	407.126602	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1280702"	159.021802	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"24351"	285.053406	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"469391"	409.105806	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"847190"	161.001006	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1570315"	161.001006	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"956378"	169.050594	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"376536"	293.103001	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"361028"	307.118651	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1505853"	183.066251	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"972664"	191.032551	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"123030"	159.021802	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"563683"	221.048002	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1032115"	96.995602	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1254611"	202.971285	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1317788"	205.027272	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1333461"	227.009229	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"916500"	237.037986	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1296132"	273.014664	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1372105"	89.039724	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1391792"	107.0497	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"284186"	249.112076	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"677702"	373.164476	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1361343"	125.059676	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"132044"	125.059676	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"573795"	187.085876	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1051343"	63.033476	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"219888"	83.708876	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"659538"	125.059676	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1177421"	42.358076	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"435831"	266.138623	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"794638"	390.191023	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1683312"	142.086223	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"338155"	133.5729495	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"738116"	195.5991495	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1483307"	71.5467495	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"395793"	271.094018	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"764077"	395.146418	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1609989"	147.041618	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"323305"	136.050647	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"709167"	198.076847	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1472828"	74.024447	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1063893"	49.68539	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1268489"	157.085886	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"390346"	287.067958	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"752678"	411.120358	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1553759"	163.015558	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"309841"	144.037617	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"706559"	206.063817	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1458270"	82.011417	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"247966"	290.138626	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1222133"	166.086226	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1206017"	83.546751	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"199979"	293.07596	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"634802"	417.12836	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1141587"	169.02356	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"183783"	147.041618	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"620065"	209.067818	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1120285"	85.015418	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1414042"	57.012704	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1445534"	171.065146	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"235575"	152.07464	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1519161"	185.11719	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"422857"	155.028588	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"781664"	217.054788	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1677628"	93.002388	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"257221"	312.120568	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1233209"	188.068168	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1717721"	188.091693	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1179064"	64.340018	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1654061"	193.047088	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"158004"	325.02384	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"598169"	449.07624	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1086081"	200.97144	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"147273"	163.015558	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"587937"	225.041758	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1079750"	100.989358	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1113690"	202.985992	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1346428"	203.073607	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1019334"	207.112776	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1530896"	208.106408	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"999529"	104.060026	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1597314"	209.021028	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1426988"	239.052538	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1161285"	124.573301	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1707190"	256.079085	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1642841"	261.03448	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1580679"	277.00842	"C01502"	"o-Methoxyphenol;Guaiacol;Catechol monomethyl ether"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"811044"	132.0575	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M"	0
"982389"	113.03911	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-H2O-H"	-19.01839
"69537"	87.0310573333333	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M-3H"	-3.021828
"505818"	131.050224	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M-3H"	-3.021828
"884713"	43.0118906666667	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-3H"	-3.021828
"9848"	131.050224	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M-2H"	-2.014552
"450501"	197.078974	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M-2H"	-2.014552
"821745"	65.021474	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-2H"	-2.014552
"78751"	263.107724	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M-H"	-1.007276
"523489"	395.165224	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M-H"	-1.007276
"900198"	131.050224	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-H"	-1.007276
"56760"	280.134271	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M-2H+NH4"	16.019271
"496319"	412.191771	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M-2H+NH4"	16.019271
"874852"	148.076771	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-2H+NH4"	16.019271
"42755"	285.089666	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M-2H+Na"	20.974666
"481583"	417.147166	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M-2H+Na"	20.974666
"861571"	153.032166	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-2H+Na"	20.974666
"1624542"	153.032166	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Na-2H"	20.974666
"99978"	149.038563	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M-H+Cl"	33.962126
"542818"	215.067313	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M-H+Cl"	33.962126
"929770"	83.009813	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-H+Cl"	33.962126
"268326"	299.084402	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+Cl"	34.969402
"662939"	431.141902	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+Cl"	34.969402
"1280811"	167.026902	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Cl"	34.969402
"24461"	301.063606	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M-2H+K"	36.948606
"467309"	433.121106	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M-2H+K"	36.948606
"846936"	169.006106	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-2H+K"	36.948606
"1568968"	169.006106	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+K-2H"	36.948606
"956122"	177.055694	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-H+HCOOH"	44.998194
"374701"	309.113201	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+HCOOH-H"	44.998201
"360046"	323.128851	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+Hac-H"	59.013851
"1505600"	191.071351	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Hac-H"	59.013851
"972774"	199.037651	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-H+NaCOOH"	66.980151
"122412"	167.026902	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+2Cl"	69.938804
"563431"	233.055652	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+2Cl"	69.938804
"1033321"	100.998152	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2Cl"	69.938804
"1254357"	210.976385	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Br"	78.918885
"1317898"	213.032372	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Cl+HCOOH"	80.974872
"1334300"	235.014329	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Cl+NaCOOH"	102.956829
"918431"	245.043086	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M-H+CF3COOH"	112.985586
"1296242"	281.019764	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Cl+CF3COOH"	148.962264
"1372215"	97.044824	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H-2H2O"	-35.012676
"1385698"	115.0548	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H-H2O"	-17.0027
"283567"	265.122276	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+H"	1.007276
"677448"	397.179776	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+H"	1.007276
"1359267"	133.064776	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H"	1.007276
"131061"	133.064776	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+2H"	2.014552
"576092"	199.093526	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+2H"	2.014552
"1051454"	67.036026	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2H"	2.014552
"212800"	89.0456093333333	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+3H"	3.021828
"655638"	133.064776	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+3H"	3.021828
"1174856"	45.0264426666667	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+3H"	3.021828
"435941"	282.148823	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+NH4"	18.033823
"793654"	414.206323	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+NH4"	18.033823
"1683058"	150.091323	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+NH4"	18.033823
"339358"	141.5780495	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+H+NH4"	19.041099
"737860"	207.6067995	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+H+NH4"	19.041099
"1483417"	75.5492995	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H+NH4"	19.041099
"395539"	287.104218	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+Na"	22.989218
"762000"	419.161718	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+Na"	22.989218
"1607912"	155.046718	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Na"	22.989218
"322321"	144.055747	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+H+Na"	23.996494
"711464"	210.084497	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+H+Na"	23.996494
"1473667"	78.026997	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H+Na"	23.996494
"1061817"	52.3537566666667	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2H+Na"	25.00377
"1267142"	165.090986	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+CH3OH+H"	33.033486
"390092"	303.078158	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+K"	38.963158
"752181"	435.135658	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+K"	38.963158
"1553869"	171.020658	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+K"	38.963158
"310315"	152.042717	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+H+K"	39.970434
"706627"	218.071467	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+H+K"	39.970434
"1458380"	86.013967	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H+K"	39.970434
"245888"	306.148826	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+ACN+H"	42.033826
"1223702"	174.091326	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+ACN+H"	42.033826
"1205034"	87.549301	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+ACN+2H"	43.041102
"200820"	309.08616	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+2Na-H"	44.97116
"634912"	441.14366	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+2Na-H"	44.97116
"1141697"	177.02866	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2Na-H"	44.97116
"183893"	155.046718	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+2Na"	45.978436
"623455"	221.075468	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+2Na"	45.978436
"1121491"	89.017968	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2Na"	45.978436
"1414151"	59.6810706666667	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H+2Na"	46.985712
"1444796"	179.070246	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H+HCOOH"	47.012746
"235659"	160.07974	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+3H2O+2H"	56.04448
"1521458"	193.12229	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+IsoProp+H"	61.06479
"421874"	163.033688	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+Na+K"	61.952376
"781774"	229.062438	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+Na+K"	61.952376
"1677738"	97.004938	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Na+K"	61.952376
"257331"	328.130768	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+ACN+Na"	64.015768
"1232226"	196.073268	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+ACN+Na"	64.015768
"1715645"	196.096793	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+NH4+HCOOH"	64.039293
"1178931"	67.0083846666667	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+3Na"	68.967654
"1653443"	201.052188	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Na+HCOOH"	68.994688
"158114"	341.03404	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+2K-H"	76.91904
"599496"	473.09154	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+2K-H"	76.91904
"1085465"	208.97654	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2K-H"	76.91904
"146291"	171.020658	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"2M+2K"	77.926316
"585861"	237.049408	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"3M+2K"	77.926316
"1080953"	104.991908	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2K"	77.926316
"1114406"	210.991092	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2K+H"	78.933592
"1345444"	211.078707	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+DMSO+H"	79.021207
"1019808"	215.117876	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2ACN+H"	83.060376
"1534286"	216.111508	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+IsoProp+Na+H"	84.054008
"999639"	108.062576	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+2ACN+2H"	84.067652
"1599611"	217.026128	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+K+HCOOH"	84.968628
"1427098"	247.057638	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+H+CF3COOH"	115.000138
"1160666"	128.575851	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+3ACN+2H"	125.094202
"1704020"	264.084185	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+NH4+CF3COOH"	132.026685
"1642951"	269.03958	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+Na+CF3COOH"	136.98208
"1580789"	285.01352	"C01504"	"Indanone;Hydrindone;1-Indanone;1H-Inden-1-one 23-dihydro-"	"C9H8O"	"132.0575"	"M+K+CF3COOH"	152.95602
"811154"	1187.6564	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M"	0
"982499"	1168.63801	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-H2O-H"	-19.01839
"68554"	790.763657333333	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M-3H"	-3.021828
"505199"	1186.649124	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M-3H"	-3.021828
"887010"	394.878190666667	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-3H"	-3.021828
"9958"	1186.649124	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M-2H"	-2.014552
"448424"	1780.477324	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M-2H"	-2.014552
"820395"	592.820924	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-2H"	-2.014552
"79779"	2374.305524	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M-H"	-1.007276
"522505"	3561.961924	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M-H"	-1.007276
"900308"	1186.649124	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-H"	-1.007276
"53589"	2391.332071	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M-2H+NH4"	16.019271
"497522"	3578.988471	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M-2H+NH4"	16.019271
"872045"	1203.675671	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-2H+NH4"	16.019271
"42499"	2396.287466	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M-2H+Na"	20.974666
"478413"	3583.943866	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M-2H+Na"	20.974666
"860589"	1208.631066	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-2H+Na"	20.974666
"1629026"	1208.631066	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Na-2H"	20.974666
"100087"	1204.637463	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M-H+Cl"	33.962126
"542928"	1798.465663	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M-H+Cl"	33.962126
"929881"	610.809263	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-H+Cl"	33.962126
"269530"	2410.282202	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+Cl"	34.969402
"663046"	3597.938602	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+Cl"	34.969402
"1274359"	1222.625802	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Cl"	34.969402
"21290"	2412.261406	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M-2H+K"	36.948606
"465227"	3599.917806	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M-2H+K"	36.948606
"841942"	1224.605006	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-2H+K"	36.948606
"1561055"	1224.605006	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+K-2H"	36.948606
"948937"	1232.654594	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-H+HCOOH"	44.998194
"371527"	2420.311001	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+HCOOH-H"	44.998201
"359425"	2434.326651	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+Hac-H"	59.013851
"1506437"	1246.670251	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Hac-H"	59.013851
"973614"	1254.636551	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-H+NaCOOH"	66.980151
"123978"	1222.625802	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+2Cl"	69.938804
"564511"	1816.454002	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+2Cl"	69.938804
"1032334"	628.797602	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2Cl"	69.938804
"1253007"	1266.575285	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Br"	78.918885
"1316548"	1268.631272	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Cl+HCOOH"	80.974872
"1327847"	1290.613229	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Cl+NaCOOH"	102.956829
"918538"	1300.641986	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M-H+CF3COOH"	112.985586
"1296352"	1336.618664	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Cl+CF3COOH"	148.962264
"1371231"	1152.643724	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H-2H2O"	-35.012676
"1385444"	1170.6537	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H-H2O"	-17.0027
"286590"	2376.320076	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+H"	1.007276
"676829"	3563.976476	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+H"	1.007276
"1356094"	1188.663676	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H"	1.007276
"132264"	1188.663676	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+2H"	2.014552
"577295"	1782.491876	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+2H"	2.014552
"1052175"	594.835476	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2H"	2.014552
"214004"	792.778209333333	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+3H"	3.021828
"656844"	1188.663676	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+3H"	3.021828
"1174966"	396.892742666667	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+3H"	3.021828
"432771"	2393.346623	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+NH4"	18.033823
"792670"	3581.003023	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+NH4"	18.033823
"1683168"	1205.690223	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+NH4"	18.033823
"339468"	1197.1769495	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+H+NH4"	19.041099
"737607"	1791.0051495	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+H+NH4"	19.041099
"1491180"	603.3487495	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H+NH4"	19.041099
"394554"	2398.302018	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+Na"	22.989218
"757737"	3585.958418	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+Na"	22.989218
"1608021"	1210.645618	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Na"	22.989218
"322430"	1199.654647	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+H+Na"	23.996494
"713760"	1793.482847	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+H+Na"	23.996494
"1470860"	605.826447	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H+Na"	23.996494
"1056458"	404.220056666667	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2H+Na"	25.00377
"1269074"	1220.689886	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+CH3OH+H"	33.033486
"390567"	2414.275958	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+K"	38.963158
"751196"	3601.932358	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+K"	38.963158
"1548509"	1226.619558	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+K"	38.963158
"311153"	1207.641617	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+H+K"	39.970434
"704305"	1801.469817	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+H+K"	39.970434
"1458490"	613.813417	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H+K"	39.970434
"247820"	2417.346626	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+ACN+H"	42.033826
"1223448"	1229.690226	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+ACN+H"	42.033826
"1207694"	615.348751	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+ACN+2H"	43.041102
"200563"	2420.28396	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+2Na-H"	44.97116
"635022"	3607.94036	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+2Na-H"	44.97116
"1138527"	1232.62756	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2Na-H"	44.97116
"184004"	1210.645618	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+2Na"	45.978436
"623565"	1804.473818	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+2Na"	45.978436
"1122695"	616.817418	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2Na"	45.978436
"1413846"	411.547370666667	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H+2Na"	46.985712
"1444180"	1234.669146	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H+HCOOH"	47.012746
"231685"	1215.67864	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+3H2O+2H"	56.04448
"1516102"	1248.72119	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+IsoProp+H"	61.06479
"414694"	1218.632588	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+Na+K"	61.952376
"780061"	1812.460788	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+Na+K"	61.952376
"1676028"	624.804388	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Na+K"	61.952376
"261815"	2439.328568	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+ACN+Na"	64.015768
"1234522"	1251.672168	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+ACN+Na"	64.015768
"1715026"	1251.695693	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+NH4+HCOOH"	64.039293
"1179648"	418.874684666667	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+3Na"	68.967654
"1652459"	1256.651088	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Na+HCOOH"	68.994688
"158589"	2452.23184	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+2K-H"	76.91904
"599607"	3639.88824	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+2K-H"	76.91904
"1086305"	1264.57544	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2K-H"	76.91904
"144214"	1226.619558	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"2M+2K"	77.926316
"583776"	1820.447758	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"3M+2K"	77.926316
"1080334"	632.791358	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2K"	77.926316
"1113180"	1266.589992	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2K+H"	78.933592
"1344460"	1266.677607	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+DMSO+H"	79.021207
"1018460"	1270.716776	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2ACN+H"	83.060376
"1534397"	1271.710408	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+IsoProp+Na+H"	84.054008
"996469"	635.862026	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+2ACN+2H"	84.067652
"1597534"	1272.625028	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+K+HCOOH"	84.968628
"1426479"	1302.656538	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+H+CF3COOH"	115.000138
"1157860"	656.375301	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+3ACN+2H"	125.094202
"1705223"	1319.683085	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+NH4+CF3COOH"	132.026685
"1643061"	1324.63848	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+Na+CF3COOH"	136.98208
"1577618"	1340.61242	"C01505"	"Kallidin;Lysylbradykinin;Lysyl-bradykinin"	"C56H85N17O12"	"1187.6564"	"M+K+CF3COOH"	152.95602
"807985"	182.079	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M"	0
"977142"	163.06061	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-H2O-H"	-19.01839
"67573"	120.378724	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M-3H"	-3.021828
"504213"	181.071724	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M-3H"	-3.021828
"881285"	59.685724	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-3H"	-3.021828
"4601"	181.071724	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M-2H"	-2.014552
"441972"	272.111224	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M-2H"	-2.014552
"818316"	90.032224	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-2H"	-2.014552
"92534"	363.150724	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M-H"	-1.007276
"529178"	545.229724	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M-H"	-1.007276
"908073"	181.071724	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-H"	-1.007276
"53699"	380.177271	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M-2H+NH4"	16.019271
"494353"	562.256271	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M-2H+NH4"	16.019271
"868876"	198.098271	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-2H+NH4"	16.019271
"42244"	385.132666	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M-2H+Na"	20.974666
"479615"	567.211666	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M-2H+Na"	20.974666
"858509"	203.053666	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-2H+Na"	20.974666
"1621481"	203.053666	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Na-2H"	20.974666
"100196"	199.060063	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M-H+Cl"	33.962126
"535746"	290.099563	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M-H+Cl"	33.962126
"929019"	108.020563	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-H+Cl"	33.962126
"272925"	399.127402	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+Cl"	34.969402
"663159"	581.206402	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+Cl"	34.969402
"1279937"	217.048402	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Cl"	34.969402
"28691"	401.106606	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M-2H+K"	36.948606
"468615"	583.185606	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M-2H+K"	36.948606
"844232"	219.027606	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-2H+K"	36.948606
"1566627"	219.027606	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+K-2H"	36.948606
"953418"	227.077194	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-H+HCOOH"	44.998194
"370539"	409.156201	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+HCOOH-H"	44.998201
"350053"	423.171851	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+Hac-H"	59.013851
"1501074"	241.092851	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Hac-H"	59.013851
"972265"	249.059151	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-H+NaCOOH"	66.980151
"124333"	217.048402	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+2Cl"	69.938804
"563282"	308.087902	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+2Cl"	69.938804
"1030258"	126.008902	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2Cl"	69.938804
"1248742"	260.997885	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Br"	78.918885
"1309003"	263.053872	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Cl+HCOOH"	80.974872
"1327596"	285.035829	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Cl+NaCOOH"	102.956829
"920852"	295.064586	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M-H+CF3COOH"	112.985586
"1296464"	331.041264	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Cl+CF3COOH"	148.962264
"1370614"	147.066324	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H-2H2O"	-35.012676
"1386654"	165.0763	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H-H2O"	-17.0027
"296183"	365.165276	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+H"	1.007276
"690957"	547.244276	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+H"	1.007276
"1363863"	183.086276	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H"	1.007276
"137487"	183.086276	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+2H"	2.014552
"578503"	274.125776	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+2H"	2.014552
"1045118"	92.046776	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2H"	2.014552
"208645"	122.393276	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+3H"	3.021828
"650393"	183.086276	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+3H"	3.021828
"1170706"	61.700276	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+3H"	3.021828
"430695"	382.191823	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+NH4"	18.033823
"789502"	564.270823	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+NH4"	18.033823
"1693488"	200.112823	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+NH4"	18.033823
"337395"	191.5995495	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+H+NH4"	19.041099
"728724"	282.6390495	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+H+NH4"	19.041099
"1479256"	100.5600495	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H+NH4"	19.041099
"394663"	387.147218	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+Na"	22.989218
"755781"	569.226218	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+Na"	22.989218
"1609225"	205.068218	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Na"	22.989218
"316102"	194.077247	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+H+Na"	23.996494
"708278"	285.116747	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+H+Na"	23.996494
"1471708"	103.037747	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H+Na"	23.996494
"1064592"	69.02759	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2H+Na"	25.00377
"1270280"	215.112486	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+CH3OH+H"	33.033486
"390679"	403.121158	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+K"	38.963158
"750577"	585.200158	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+K"	38.963158
"1554949"	221.042158	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+K"	38.963158
"311997"	202.064217	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+H+K"	39.970434
"703323"	293.103717	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+H+K"	39.970434
"1457142"	111.024717	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H+K"	39.970434
"247200"	406.191826	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+ACN+H"	42.033826
"1221371"	224.112826	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+ACN+H"	42.033826
"1209021"	112.560051	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+ACN+2H"	43.041102
"197759"	409.12916	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+2Na-H"	44.97116
"638412"	591.20816	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+2Na-H"	44.97116
"1141918"	227.05016	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2Na-H"	44.97116
"181929"	205.068218	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+2Na"	45.978436
"618209"	296.107718	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+2Na"	45.978436
"1130599"	114.028718	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2Na"	45.978436
"1413512"	76.354904	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H+2Na"	46.985712
"1442467"	229.091746	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H+HCOOH"	47.012746
"230337"	210.10124	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+3H2O+2H"	56.04448
"1515118"	243.14379	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+IsoProp+H"	61.06479
"418814"	213.055188	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+Na+K"	61.952376
"774704"	304.094688	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+Na+K"	61.952376
"1674314"	122.015688	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Na+K"	61.952376
"264842"	428.173768	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+ACN+Na"	64.015768
"1238646"	246.094768	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+ACN+Na"	64.015768
"1719146"	246.118293	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+NH4+HCOOH"	64.039293
"1185595"	83.682218	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+3Na"	68.967654
"1654758"	251.073688	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Na+HCOOH"	68.994688
"158455"	441.07704	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+2K-H"	76.91904
"602272"	623.15604	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+2K-H"	76.91904
"1086416"	258.99804	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2K-H"	76.91904
"145787"	221.042158	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"2M+2K"	77.926316
"591558"	312.081658	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"3M+2K"	77.926316
"1082512"	130.002658	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2K"	77.926316
"1108914"	261.012592	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2K+H"	78.933592
"1348708"	261.100207	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+DMSO+H"	79.021207
"1018815"	265.139376	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2ACN+H"	83.060376
"1535603"	266.133008	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+IsoProp+Na+H"	84.054008
"999498"	133.073326	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+2ACN+2H"	84.067652
"1596556"	267.047628	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+K+HCOOH"	84.968628
"1421123"	297.079138	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+H+CF3COOH"	115.000138
"1156877"	153.586601	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+3ACN+2H"	125.094202
"1704242"	314.105685	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+NH4+CF3COOH"	132.026685
"1645360"	319.06108	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+Na+CF3COOH"	136.98208
"1573355"	335.03502	"C01507"	"L-Iditol"	"C6H14O6"	"182.079"	"M+K+CF3COOH"	152.95602
"808095"	150.0528	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M"	0
"977616"	131.03441	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"65495"	99.027924	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507241"	149.045524	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"881761"	49.010324	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"1793"	149.045524	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"440994"	224.071924	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"818184"	74.019124	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"93373"	299.098324	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"531840"	449.151124	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"908182"	149.045524	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"57089"	316.124871	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"498836"	466.177671	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"868986"	166.072071	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"44541"	321.080266	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"478632"	471.133066	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"856433"	171.027466	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1622684"	171.027466	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"99213"	167.033863	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"536586"	242.060263	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"929373"	92.007463	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"271942"	335.075002	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"662540"	485.127802	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1280050"	185.022202	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"25888"	337.054206	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"468730"	487.107006	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"843251"	187.001406	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1566740"	187.001406	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"952435"	195.050994	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"368467"	345.103801	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"354175"	359.119451	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1502643"	209.066651	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"967636"	217.032951	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"116544"	185.022202	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"553915"	260.048602	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1024901"	109.995802	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1243386"	228.971685	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1310208"	231.027672	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1325519"	253.009629	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"920962"	263.038386	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1290741"	299.015064	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1375829"	115.040124	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1383848"	133.0501	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"296293"	301.112876	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"683248"	451.165676	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1361787"	151.060076	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"133583"	151.060076	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"577519"	226.086476	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1041218"	76.033676	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"208755"	101.042476	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"647950"	151.060076	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1168628"	51.024876	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"429711"	318.139423	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"787422"	468.192223	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1690318"	168.086623	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"337506"	159.5733495	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"731021"	234.5997495	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1479730"	84.5469495	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"396960"	323.094818	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"756134"	473.147618	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1606056"	173.042018	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"315239"	162.051047	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"708630"	237.077447	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1474371"	87.024647	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1065794"	58.35219	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1271118"	183.086286	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"391515"	339.068758	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"751051"	489.121558	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1555442"	189.015958	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"312468"	170.038017	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"704525"	245.064417	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1457616"	95.011617	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"246217"	342.139426	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1221114"	192.086626	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1203905"	96.546951	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"196776"	345.07676	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"639616"	495.12956	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1142028"	195.02396	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"182039"	173.042018	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"618683"	248.068418	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1130463"	98.015618	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1412283"	65.679504	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1442941"	197.065546	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"231906"	178.07504	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1518508"	211.11759	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"419286"	181.028988	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"777000"	256.055388	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1671143"	106.002588	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259849"	364.121368	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1234745"	214.068568	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1718891"	214.092093	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1185705"	73.006818	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1652316"	219.047488	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"157956"	377.02464	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"601289"	527.07744	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1086161"	226.97184	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"145168"	189.015958	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"590938"	264.042358	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1079826"	113.989558	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1107201"	228.986392	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1345774"	229.074007	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1016490"	233.113176	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1534615"	234.106808	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"999971"	117.060226	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1593386"	235.021428	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1421233"	265.052938	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1158080"	137.573501	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1706539"	282.079485	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1645470"	287.03488	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1573465"	303.00882	"C01508"	"L-Lyxose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"808205"	150.0528	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M"	0
"975904"	131.03441	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"65605"	99.027924	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"509538"	149.045524	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"881873"	49.010324	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"1541"	149.045524	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"441105"	224.071924	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"817143"	74.019124	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"93485"	299.098324	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"532558"	449.151124	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"906104"	149.045524	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"57199"	316.124871	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"498946"	466.177671	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"873471"	166.072071	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"38091"	321.080266	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"482023"	471.133066	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"859823"	171.027466	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1622796"	171.027466	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"102603"	167.033863	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"538883"	242.060263	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"931305"	92.007463	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"270226"	335.075002	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"663743"	485.127802	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1280157"	185.022202	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"22714"	337.054206	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"467747"	487.107006	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"841173"	187.001406	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1565756"	187.001406	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"950359"	195.050994	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"368577"	345.103801	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"354649"	359.119451	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1503117"	209.066651	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"967746"	217.032951	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"116654"	185.022202	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"552932"	260.048602	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1025010"	109.995802	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1244589"	228.971685	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1310318"	231.027672	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1325629"	253.009629	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"922894"	263.038386	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1290851"	299.015064	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1375939"	115.040124	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1386874"	133.0501	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"296403"	301.112876	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"683357"	451.165676	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1362990"	151.060076	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"134787"	151.060076	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"579451"	226.086476	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1043151"	76.033676	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"208136"	101.042476	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"649519"	151.060076	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1170924"	51.024876	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"430915"	318.139423	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"791909"	468.192223	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1692615"	168.086623	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"336519"	159.5733495	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"731131"	234.5997495	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1479483"	84.5469495	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"394886"	323.094818	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"756973"	473.147618	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1605071"	173.042018	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"317295"	162.051047	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"707892"	237.077447	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1471929"	87.024647	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1064081"	58.35219	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1271956"	183.086286	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"391625"	339.068758	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"750068"	489.121558	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1555454"	189.015958	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"312578"	170.038017	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"706092"	245.064417	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1457726"	95.011617	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"246327"	342.139426	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1222318"	192.086626	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1205108"	96.546951	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"199073"	345.07676	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"642400"	495.12956	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1138859"	195.02396	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"182149"	173.042018	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"621709"	248.068418	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1129966"	98.015618	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1413485"	65.679504	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1442321"	197.065546	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"232744"	178.07504	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1521537"	211.11759	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"416117"	181.028988	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"775654"	256.055388	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1672347"	106.002588	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259959"	364.121368	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1234854"	214.068568	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1716814"	214.092093	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1185815"	73.006818	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1652062"	219.047488	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"157585"	377.02464	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"599577"	527.07744	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1084937"	226.97184	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"147833"	189.015958	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"587403"	264.042358	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1079571"	113.989558	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1105124"	228.986392	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1345884"	229.074007	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1010040"	233.113176	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1530352"	234.106808	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"998988"	117.060226	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1596775"	235.021428	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1420249"	265.052938	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1158190"	137.573501	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1707742"	282.079485	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1640112"	287.03488	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1572846"	303.00882	"C01510"	"L-Xylose;L-Xylofuranose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"802482"	376.1369	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M"	0
"975285"	357.11851	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-H2O-H"	-19.01839
"64986"	249.750657333333	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M-3H"	-3.021828
"507461"	375.129624	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M-3H"	-3.021828
"880889"	124.371690666667	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-3H"	-3.021828
"1651"	375.129624	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M-2H"	-2.014552
"440403"	563.198074	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M-2H"	-2.014552
"817186"	187.061174	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-2H"	-2.014552
"91772"	751.266524	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M-H"	-1.007276
"530601"	1127.403424	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M-H"	-1.007276
"902934"	375.129624	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-H"	-1.007276
"51841"	768.293071	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M-2H+NH4"	16.019271
"495776"	1144.429971	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M-2H+NH4"	16.019271
"873581"	392.156171	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-2H+NH4"	16.019271
"36014"	773.248466	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M-2H+Na"	20.974666
"481040"	1149.385366	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M-2H+Na"	20.974666
"856653"	397.111566	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-2H+Na"	20.974666
"1622905"	397.111566	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Na-2H"	20.974666
"103807"	393.117963	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M-H+Cl"	33.962126
"536807"	581.186413	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M-H+Cl"	33.962126
"930321"	205.049513	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-H+Cl"	33.962126
"271065"	787.243202	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+Cl"	34.969402
"666767"	1163.380102	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+Cl"	34.969402
"1280267"	411.106302	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Cl"	34.969402
"20637"	789.222406	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M-2H+K"	36.948606
"466763"	1165.359306	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M-2H+K"	36.948606
"840190"	413.085506	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-2H+K"	36.948606
"1566959"	413.085506	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+K-2H"	36.948606
"948281"	421.135094	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-H+HCOOH"	44.998194
"363578"	797.272001	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+HCOOH-H"	44.998201
"349289"	811.287651	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+Hac-H"	59.013851
"1496658"	435.150751	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Hac-H"	59.013851
"967492"	443.117051	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-H+NaCOOH"	66.980151
"110809"	411.106302	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+2Cl"	69.938804
"551948"	599.174752	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+2Cl"	69.938804
"1022688"	223.037852	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2Cl"	69.938804
"1243239"	455.055785	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Br"	78.918885
"1304510"	457.111772	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Cl+HCOOH"	80.974872
"1322458"	479.093729	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Cl+NaCOOH"	102.956829
"922275"	489.122486	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M-H+CF3COOH"	112.985586
"1291690"	525.099164	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Cl+CF3COOH"	148.962264
"1372769"	341.124224	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H-2H2O"	-35.012676
"1384797"	359.1342	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H-H2O"	-17.0027
"295420"	753.281076	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+H"	1.007276
"683467"	1129.417976	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+H"	1.007276
"1364193"	377.144176	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H"	1.007276
"137080"	377.144176	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+2H"	2.014552
"579198"	565.212626	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+2H"	2.014552
"1043261"	189.075726	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2H"	2.014552
"208976"	251.765209333333	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+3H"	3.021828
"650722"	377.144176	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+3H"	3.021828
"1171034"	126.386242666667	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+3H"	3.021828
"434305"	770.307623	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+NH4"	18.033823
"792019"	1146.444523	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+NH4"	18.033823
"1690538"	394.170723	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+NH4"	18.033823
"337722"	385.6574495	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+H+NH4"	19.041099
"732334"	573.7258995	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+H+NH4"	19.041099
"1479588"	197.5889995	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H+NH4"	19.041099
"394994"	775.263018	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+Na"	22.989218
"754896"	1151.399918	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+Na"	22.989218
"1604089"	399.126118	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Na"	22.989218
"314488"	388.135147	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+H+Na"	23.996494
"714199"	576.203597	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+H+Na"	23.996494
"1472039"	200.066697	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H+Na"	23.996494
"1064191"	133.713556666667	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2H+Na"	25.00377
"1270973"	409.170386	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+CH3OH+H"	33.033486
"392099"	791.236958	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+K"	38.963158
"750178"	1167.373858	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+K"	38.963158
"1555510"	415.100058	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+K"	38.963158
"312688"	396.122117	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+H+K"	39.970434
"705838"	584.190567	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+H+K"	39.970434
"1457836"	208.053667	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H+K"	39.970434
"248625"	794.307626	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+ACN+H"	42.033826
"1222307"	418.170726	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+ACN+H"	42.033826
"1206312"	209.589001	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+ACN+2H"	43.041102
"199182"	797.24496	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+2Na-H"	44.97116
"640930"	1173.38186	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+2Na-H"	44.97116
"1141156"	421.10806	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2Na-H"	44.97116
"185539"	399.126118	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+2Na"	45.978436
"625099"	587.194568	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+2Na"	45.978436
"1128606"	211.057668	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2Na"	45.978436
"1410315"	141.040870666667	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H+2Na"	46.985712
"1437691"	423.149646	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H+HCOOH"	47.012746
"226293"	404.15914	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+3H2O+2H"	56.04448
"1518728"	437.20169	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+IsoProp+H"	61.06479
"419507"	407.113088	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+Na+K"	61.952376
"778315"	595.181538	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+Na+K"	61.952376
"1672820"	219.044638	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Na+K"	61.952376
"256787"	816.289568	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+ACN+Na"	64.015768
"1232412"	440.152668	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+ACN+Na"	64.015768
"1714372"	440.176193	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+NH4+HCOOH"	64.039293
"1180816"	148.368184666667	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+3Na"	68.967654
"1650953"	445.131588	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Na+HCOOH"	68.994688
"158298"	829.19284	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+2K-H"	76.91904
"599318"	1205.32974	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+2K-H"	76.91904
"1085287"	453.05594	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2K-H"	76.91904
"146850"	415.100058	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"2M+2K"	77.926316
"585323"	603.168508	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"3M+2K"	77.926316
"1069468"	227.031608	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2K"	77.926316
"1100246"	455.070492	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2K+H"	78.933592
"1350004"	455.158107	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+DMSO+H"	79.021207
"1009056"	459.197276	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2ACN+H"	83.060376
"1530462"	460.190908	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+IsoProp+Na+H"	84.054008
"1000191"	230.102276	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+2ACN+2H"	84.067652
"1596885"	461.105528	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+K+HCOOH"	84.968628
"1422545"	491.137038	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+H+CF3COOH"	115.000138
"1158300"	250.615551	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+3ACN+2H"	125.094202
"1706759"	508.163585	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+NH4+CF3COOH"	132.026685
"1640222"	513.11898	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+Na+CF3COOH"	136.98208
"1572592"	529.09292	"C01512"	"Loganate;Loganic acid"	"C16H24O10"	"376.1369"	"M+K+CF3COOH"	152.95602
"811707"	306.144	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M"	0
"985239"	287.12561	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-H2O-H"	-19.01839
"71295"	203.088724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M-3H"	-3.021828
"506481"	305.136724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M-3H"	-3.021828
"883190"	101.040724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-3H"	-3.021828
"7232"	305.136724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M-2H"	-2.014552
"444607"	458.208724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M-2H"	-2.014552
"828971"	152.064724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-2H"	-2.014552
"92735"	611.280724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M-H"	-1.007276
"533753"	917.424724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M-H"	-1.007276
"909001"	305.136724	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-H"	-1.007276
"60338"	628.307271	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M-2H+NH4"	16.019271
"499898"	934.451271	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M-2H+NH4"	16.019271
"872598"	322.163271	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-2H+NH4"	16.019271
"40497"	633.262666	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M-2H+Na"	20.974666
"480056"	939.406666	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M-2H+Na"	20.974666
"854576"	327.118666	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-2H+Na"	20.974666
"1620830"	327.118666	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Na-2H"	20.974666
"99543"	323.125063	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M-H+Cl"	33.962126
"537286"	476.197063	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M-H+Cl"	33.962126
"929706"	170.053063	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-H+Cl"	33.962126
"269358"	647.257402	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+Cl"	34.969402
"662505"	953.401402	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+Cl"	34.969402
"1278192"	341.113402	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Cl"	34.969402
"25126"	649.236606	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M-2H+K"	36.948606
"469060"	955.380606	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M-2H+K"	36.948606
"844675"	343.092606	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-2H+K"	36.948606
"1567798"	343.092606	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+K-2H"	36.948606
"949484"	351.142194	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-H+HCOOH"	44.998194
"366607"	657.286201	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+HCOOH-H"	44.998201
"353774"	671.301851	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+Hac-H"	59.013851
"1500420"	365.157851	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Hac-H"	59.013851
"961402"	373.124151	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-H+NaCOOH"	66.980151
"113587"	341.113402	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+2Cl"	69.938804
"552417"	494.185402	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+2Cl"	69.938804
"1023770"	188.041402	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2Cl"	69.938804
"1241885"	385.062885	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Br"	78.918885
"1305068"	387.118872	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Cl+HCOOH"	80.974872
"1321839"	409.100829	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Cl+NaCOOH"	102.956829
"924571"	419.129586	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M-H+CF3COOH"	112.985586
"1299091"	455.106264	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Cl+CF3COOH"	148.962264
"1379441"	271.131324	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H-2H2O"	-35.012676
"1390374"	289.1413	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H-H2O"	-17.0027
"295531"	613.295276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+H"	1.007276
"683577"	919.439276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+H"	1.007276
"1363210"	307.151276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H"	1.007276
"137190"	307.151276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+2H"	2.014552
"579914"	460.223276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+2H"	2.014552
"1047746"	154.079276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2H"	2.014552
"214189"	205.103276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+3H"	3.021828
"654113"	307.151276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+3H"	3.021828
"1173330"	103.055276	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+3H"	3.021828
"433321"	630.321823	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+NH4"	18.033823
"792493"	936.465823	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+NH4"	18.033823
"1690648"	324.177823	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+NH4"	18.033823
"337832"	315.6645495	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+H+NH4"	19.041099
"732445"	468.7365495	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+H+NH4"	19.041099
"1485171"	162.5925495	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H+NH4"	19.041099
"398384"	635.277218	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+Na"	22.989218
"758289"	941.421218	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+Na"	22.989218
"1608573"	329.133218	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Na"	22.989218
"316424"	318.142247	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+H+Na"	23.996494
"714311"	471.214247	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+H+Na"	23.996494
"1473973"	165.070247	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H+Na"	23.996494
"1065761"	110.38259	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2H+Na"	25.00377
"1265979"	339.177486	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+CH3OH+H"	33.033486
"391481"	651.251158	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+K"	38.963158
"751748"	957.395158	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+K"	38.963158
"1554536"	345.107158	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+K"	38.963158
"311706"	326.129217	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+H+K"	39.970434
"703400"	479.201217	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+H+K"	39.970434
"1457219"	173.057217	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H+K"	39.970434
"247281"	654.321826	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+ACN+H"	42.033826
"1223996"	348.177826	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+ACN+H"	42.033826
"1209094"	174.592551	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+ACN+2H"	43.041102
"203300"	657.25916	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+2Na-H"	44.97116
"642987"	963.40316	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+2Na-H"	44.97116
"1144907"	351.11516	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2Na-H"	44.97116
"187231"	329.133218	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+2Na"	45.978436
"626184"	482.205218	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+2Na"	45.978436
"1129204"	176.061218	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2Na"	45.978436
"1411520"	117.709904	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H+2Na"	46.985712
"1441082"	353.156746	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H+HCOOH"	47.012746
"229683"	334.16624	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+3H2O+2H"	56.04448
"1521023"	367.20879	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+IsoProp+H"	61.06479
"420710"	337.120188	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+Na+K"	61.952376
"778425"	490.192188	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+Na+K"	61.952376
"1676940"	184.048188	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Na+K"	61.952376
"258720"	676.303768	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+ACN+Na"	64.015768
"1235074"	370.159768	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+ACN+Na"	64.015768
"1720315"	370.183293	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+NH4+HCOOH"	64.039293
"1180566"	125.037218	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+3Na"	68.967654
"1655562"	375.138688	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Na+HCOOH"	68.994688
"159143"	689.20704	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+2K-H"	76.91904
"597365"	995.35104	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+2K-H"	76.91904
"1084235"	383.06304	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2K-H"	76.91904
"145867"	345.107158	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"2M+2K"	77.926316
"593816"	498.179158	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"3M+2K"	77.926316
"1073223"	192.035158	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2K"	77.926316
"1102422"	385.077592	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2K+H"	78.933592
"1349021"	385.165207	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+DMSO+H"	79.021207
"1009166"	389.204376	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2ACN+H"	83.060376
"1532759"	390.198008	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+IsoProp+Na+H"	84.054008
"998114"	195.105826	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+2ACN+2H"	84.067652
"1596994"	391.112628	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+K+HCOOH"	84.968628
"1423747"	421.144138	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+H+CF3COOH"	115.000138
"1152942"	215.619101	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+3ACN+2H"	125.094202
"1709054"	438.170685	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+NH4+CF3COOH"	132.026685
"1640330"	443.12608	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+Na+CF3COOH"	136.98208
"1571973"	459.10002	"C01513"	"Lupinate;Lupinic acid;3-N6-(4-Hydroxyisopentenyl)adeninyl-L-alanine;(S)-2-Amino-3-(E)-4-hydroxy-3-methylbut-2-enylaminopurin-9-ylpropanoic acid"	"C13H18N6O3"	"306.144"	"M+K+CF3COOH"	152.95602
"803067"	286.0477	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M"	0
"985349"	267.02931	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"71405"	189.691190666667	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"505498"	285.040424	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"882205"	94.3419573333333	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"169"	285.040424	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"445810"	428.064274	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"828717"	142.016574	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"93816"	571.088124	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"527541"	857.135824	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"906437"	285.040424	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"59719"	588.114671	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"500372"	874.162371	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"872708"	302.066971	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"40607"	593.070066	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"480166"	879.117766	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"856873"	307.022366	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1620941"	307.022366	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"95524"	303.028763	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"539218"	446.052613	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"929452"	160.004913	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"268011"	607.064802	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"663345"	893.112502	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1277209"	321.017102	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"26329"	609.044006	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"466983"	895.091706	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"836035"	322.996306	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1560614"	322.996306	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"946312"	331.045894	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"364162"	617.093601	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"351697"	631.109251	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1496154"	345.061551	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"960418"	353.027851	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"110538"	321.017102	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"550342"	464.040952	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1021693"	177.993252	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1241755"	364.966585	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1304812"	367.022572	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1321585"	389.004529	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"922495"	399.033286	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1293733"	435.009964	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1378458"	251.035024	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1390484"	269.045	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"295641"	573.102676	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"683687"	859.150376	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1364413"	287.054976	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"137300"	287.054976	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"581117"	430.078826	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1049682"	144.031126	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"214663"	191.705742666667	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"657503"	287.054976	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1172347"	96.3565093333333	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"432338"	590.129223	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"789685"	876.176923	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1688571"	304.081523	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"337942"	295.5682495	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"732554"	438.5920995	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1484186"	152.5443995	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"402866"	595.084618	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"761676"	881.132318	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1605402"	309.036918	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"317625"	298.045947	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"717701"	441.069797	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1473719"	155.022097	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1065142"	103.683823333333	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1264266"	319.081186	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"391592"	611.058558	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"752586"	897.106258	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1554154"	325.010858	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"312180"	306.032917	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"704603"	449.056767	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1459152"	163.009067	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"249577"	614.129226	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1223983"	328.081526	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1209325"	164.544401	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"202194"	617.06656	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"642848"	903.11426	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1142465"	331.01886	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"187585"	309.036918	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"626416"	452.060768	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1130776"	166.013068	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1411630"	111.011137333333	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1439735"	333.060446	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"225420"	314.06994	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1517854"	347.11249	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"418634"	317.023888	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"776348"	460.047738	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1677050"	174.000038	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"260289"	636.111168	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1234091"	350.063468	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1721155"	350.086993	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1180311"	118.338451333333	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1654578"	355.042388	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"157470"	649.01444	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"598443"	935.06214	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1085507"	362.96674	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"142330"	325.010858	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"593926"	468.034708	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1072240"	181.987008	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1101074"	364.981292	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1349130"	365.068907	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1010370"	369.108076	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1532869"	370.101708	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"997131"	185.057676	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1594917"	371.016328	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1421670"	401.047838	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1154145"	205.570951	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1708071"	418.074385	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1639346"	423.02978	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1571719"	439.00372	"C01514"	"Luteolin;3457-Tetrahydroxyflavone;5734-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"805364"	285.1365	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M"	0
"982179"	266.11811	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"76985"	189.083724	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"515450"	284.129224	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"889972"	94.038224	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"15359"	284.129224	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"448109"	426.697474	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"831380"	141.560974	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"93442"	569.265724	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"532758"	854.402224	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"906548"	284.129224	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"61047"	586.292271	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"501700"	871.428771	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"876098"	301.155771	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"41811"	591.247666	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"483558"	876.384166	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"858080"	306.111166	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1622146"	306.111166	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"97583"	302.117563	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"540424"	444.685813	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"929564"	159.549313	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"274683"	605.242402	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"666012"	890.378902	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1279509"	320.105902	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"27536"	607.221606	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"466002"	892.358106	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"839428"	322.085106	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1561824"	322.085106	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"948615"	330.134694	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"369017"	615.271201	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"352904"	629.286851	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1502829"	344.150351	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"959428"	352.116651	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"111744"	320.105902	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"550694"	462.674152	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1022164"	177.537652	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1241582"	364.055385	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1306258"	366.111372	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1321695"	388.093329	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"923698"	398.122086	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1296030"	434.098764	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1381609"	250.123824	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1396065"	268.1338	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"297577"	571.280276	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"688904"	856.416776	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1364893"	286.143776	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"138506"	286.143776	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"579164"	428.712026	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1047966"	143.575526	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"214774"	191.098276	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"654333"	286.143776	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1168085"	96.052776	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"432449"	588.306823	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"793444"	873.443323	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1692693"	303.170323	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"338053"	294.6570495	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"727194"	437.2252995	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1486483"	152.0887995	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"399699"	593.262218	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"757413"	878.398718	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1604417"	308.125718	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"317736"	297.134747	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"713438"	439.702997	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1472732"	154.566497	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1064522"	103.38009	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1271912"	318.169986	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"389149"	609.236158	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"750509"	894.372658	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1555114"	324.099658	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"314040"	305.121717	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"704347"	447.689967	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1457076"	162.553467	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"250415"	612.306826	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1225072"	327.170326	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1206642"	164.088801	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"203528"	615.24416	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"642961"	900.38066	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1146475"	330.10766	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"188104"	308.125718	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"626527"	450.693968	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1130276"	165.557468	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1404813"	110.707404	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1436928"	332.149246	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"232090"	313.15874	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1519057"	346.20129	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"419835"	316.112688	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"778644"	458.680938	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1674975"	173.544438	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"261492"	634.288768	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1229461"	349.152268	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1715067"	349.175793	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1180422"	118.034718	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1651772"	354.131188	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"160456"	647.19204	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"598556"	932.32854	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1085255"	362.05554	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"142561"	324.099658	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"593672"	466.667908	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1082802"	181.531408	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1108842"	364.070092	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1347418"	364.157707	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1018133"	368.196876	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1532979"	369.190508	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"1000519"	184.602076	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1593927"	370.105128	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1420683"	400.136638	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1158627"	205.115351	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1711459"	417.163185	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1642736"	422.11858	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1571829"	438.09252	"C01516"	"Morphine"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"803287"	230.0943	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M"	0
"982289"	211.07591	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"77096"	152.388924	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"515560"	229.087024	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"890082"	75.690824	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"14125"	229.087024	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"448219"	344.134174	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"830397"	114.039874	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"92941"	459.181324	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"532990"	689.275624	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"910550"	229.087024	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"57752"	476.207871	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"499500"	706.302171	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"875116"	246.113571	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"41922"	481.163266	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"483669"	711.257566	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"862565"	251.068966	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1627723"	251.068966	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"98057"	247.075363	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"541628"	362.122513	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"930768"	132.028213	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"273700"	495.158002	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"662840"	725.252302	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1280712"	265.063702	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"19989"	497.137206	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"460643"	727.231506	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"839540"	267.042906	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1564120"	267.042906	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"949817"	275.092494	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"364751"	505.186801	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"349734"	519.202451	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1496377"	289.108151	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"961734"	297.074451	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"110761"	265.063702	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"550119"	380.110852	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1022639"	150.016552	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1244046"	309.013185	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1304428"	311.069172	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1322171"	333.051129	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"925630"	343.079886	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1297233"	379.056564	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1382570"	195.081624	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1391801"	213.0916	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"293676"	461.195876	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"688284"	691.290176	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1364632"	231.101576	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"139709"	231.101576	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"578911"	346.148726	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1049170"	116.054426	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"218525"	154.403476	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"656630"	231.101576	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1172569"	77.705376	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"434746"	478.222423	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"793554"	708.316723	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1693896"	248.128123	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"338163"	239.6148495	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"727304"	354.6619995	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1487687"	124.5676995	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"401995"	483.177818	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"758619"	713.272118	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1606715"	253.083518	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"320034"	242.092547	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"715735"	357.139697	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1469560"	127.045397	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1059526"	85.03269	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1272025"	263.127786	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"389259"	499.151758	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"751348"	729.246058	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1552671"	269.057458	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"310942"	250.079517	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"704455"	365.126667	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1459737"	135.032367	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"250402"	502.222426	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1225421"	272.128126	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1209840"	136.567701	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"203988"	505.15976	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"644016"	735.25406	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1146710"	275.06546	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"188462"	253.083518	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"628106"	368.130668	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1131000"	138.036368	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1407110"	92.360004	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1435944"	277.107046	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"227826"	258.11654	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1516981"	291.15909	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"421042"	261.070488	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"775475"	376.117638	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1673993"	146.023338	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"261603"	524.204368	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1229571"	294.110068	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1714445"	294.133593	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1179679"	99.687318	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1651882"	299.088988	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"159588"	537.10764	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"599761"	767.20194	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1085732"	307.01334	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"144729"	269.057458	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"582231"	384.104608	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1077928"	154.010308	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1108952"	309.027892	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1343154"	309.115507	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1016057"	313.154676	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1534182"	314.148308	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"1001723"	157.080976	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1594038"	315.062928	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1421885"	345.094438	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1153269"	177.594251	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1711569"	362.120985	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1643939"	367.07638	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1572303"	383.05032	"C01517"	"Naproxen"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"805584"	342.1162	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M"	0
"985679"	323.09781	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"76478"	227.070190666667	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"514577"	341.108924	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"890192"	113.031457333333	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"13871"	341.108924	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"448329"	512.167024	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"831236"	170.050824	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"94150"	683.225124	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"533100"	1025.341324	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"910295"	341.108924	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"56769"	700.251671	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"496330"	1042.367871	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"875226"	358.135471	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"39846"	705.207066	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"481592"	1047.323266	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"861947"	363.090866	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1625646"	363.090866	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"99990"	359.097263	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"540644"	530.155363	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"928691"	188.039163	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"271623"	719.201802	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"662585"	1061.318002	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1280822"	377.085602	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"20099"	721.181006	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"458566"	1063.297206	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"838557"	379.064806	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1562044"	379.064806	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"949927"	387.114394	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"363768"	729.230601	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"349844"	743.246251	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1498673"	401.130051	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"961844"	409.096351	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"110085"	377.085602	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"550554"	548.143702	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1021699"	206.027502	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1241682"	421.035085	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1305143"	423.091072	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1322281"	445.073029	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"923917"	455.101786	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1297343"	491.078464	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1373319"	307.103524	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1387534"	325.1135	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"294879"	685.239676	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"685113"	1027.355876	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1358180"	343.123476	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"129975"	343.123476	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"578292"	514.181576	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1050009"	172.065376	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"219243"	229.084742666667	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"655647"	343.123476	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1173772"	115.046009333333	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"434856"	702.266223	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795851"	1044.382423	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1694370"	360.150023	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"339367"	351.6367495	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"732881"	522.6948495	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1490713"	180.5786495	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"402105"	707.221618	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"760915"	1049.337818	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1606825"	365.105418	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"319050"	354.114447	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"715846"	525.172547	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1469306"	183.056347	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1058543"	122.373323333333	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1266784"	375.149686	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"388639"	723.195558	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"748542"	1065.311758	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1549501"	381.079358	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"311781"	362.101417	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"705658"	533.159517	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1460453"	191.043317	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"250959"	726.266226	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1225167"	384.150026	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1209623"	192.578651	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"203862"	729.20356	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"644219"	1071.31976	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1147030"	387.08736	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"188544"	365.105418	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"628446"	536.163518	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1131276"	194.047318	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1411593"	129.700637333333	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1440429"	389.128946	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"227936"	370.13844	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1519278"	403.18099	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"421152"	373.092388	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"776678"	544.150488	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1674103"	202.034288	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"260620"	748.248168	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1226766"	406.131968	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1714068"	406.155493	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1178940"	137.027951333333	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1651628"	411.110888	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"157634"	761.15144	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"599506"	1103.26764	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1085233"	419.03524	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"143504"	381.079358	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"584773"	552.137458	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1077674"	210.021258	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1109062"	421.049792	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1342171"	421.137407	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1011793"	425.176576	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1535387"	426.170208	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1002927"	213.091926	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1597428"	427.084828	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1417255"	457.116338	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1152286"	233.605201	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1708399"	474.142885	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1642955"	479.09828	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1572049"	495.07222	"C01518"	"Nigerose;Sakebiose;3-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"804601"	288.2817	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M"	0
"987977"	269.26331	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-H2O-H"	-19.01839
"71845"	191.180524	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M-3H"	-3.021828
"514686"	287.274424	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M-3H"	-3.021828
"893581"	95.086624	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-3H"	-3.021828
"14839"	287.274424	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M-2H"	-2.014552
"454274"	431.415274	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M-2H"	-2.014552
"831715"	143.133574	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-2H"	-2.014552
"93894"	575.556124	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M-H"	-1.007276
"533819"	863.837824	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M-H"	-1.007276
"911336"	287.274424	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-H"	-1.007276
"60650"	592.582671	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M-2H+NH4"	16.019271
"501910"	880.864371	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M-2H+NH4"	16.019271
"877526"	304.300971	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-2H+NH4"	16.019271
"46398"	597.538066	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M-2H+Na"	20.974666
"484985"	885.819766	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M-2H+Na"	20.974666
"859504"	309.256366	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-2H+Na"	20.974666
"1629037"	309.256366	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Na-2H"	20.974666
"106657"	305.262763	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M-H+Cl"	33.962126
"542936"	449.403613	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M-H+Cl"	33.962126
"934267"	161.121913	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-H+Cl"	33.962126
"273188"	611.532802	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+Cl"	34.969402
"664881"	899.814502	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+Cl"	34.969402
"1278747"	323.251102	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Cl"	34.969402
"20209"	613.512006	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M-2H+K"	36.948606
"463051"	901.793706	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M-2H+K"	36.948606
"845228"	325.230306	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-2H+K"	36.948606
"1565435"	325.230306	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+K-2H"	36.948606
"953318"	333.279894	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-H+HCOOH"	44.998194
"369347"	621.561601	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+HCOOH-H"	44.998201
"356510"	635.577251	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+Hac-H"	59.013851
"1494410"	347.295551	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Hac-H"	59.013851
"961954"	355.261851	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-H+NaCOOH"	66.980151
"111951"	323.251102	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+2Cl"	69.938804
"551148"	467.391952	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+2Cl"	69.938804
"1022861"	179.110252	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2Cl"	69.938804
"1242444"	367.200585	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Br"	78.918885
"1312187"	369.256572	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Cl+HCOOH"	80.974872
"1334426"	391.238529	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Cl+NaCOOH"	102.956829
"921839"	401.267286	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M-H+CF3COOH"	112.985586
"1299641"	437.243964	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Cl+CF3COOH"	148.962264
"1377804"	253.269024	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H-2H2O"	-35.012676
"1393115"	271.279	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H-H2O"	-17.0027
"288427"	577.570676	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+H"	1.007276
"683036"	865.852376	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+H"	1.007276
"1357197"	289.288976	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H"	1.007276
"139207"	289.288976	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+2H"	2.014552
"576215"	433.429826	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+2H"	2.014552
"1049388"	145.148126	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2H"	2.014552
"218017"	193.195076	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+3H"	3.021828
"659725"	289.288976	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+3H"	3.021828
"1176066"	97.101176	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+3H"	3.021828
"437154"	594.597223	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+NH4"	18.033823
"798150"	882.878923	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+NH4"	18.033823
"1693755"	306.315523	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+NH4"	18.033823
"334009"	297.8022495	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+H+NH4"	19.041099
"730805"	441.9430995	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+H+NH4"	19.041099
"1489001"	153.6613995	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H+NH4"	19.041099
"396744"	599.552618	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+Na"	22.989218
"764304"	887.834318	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+Na"	22.989218
"1610215"	311.270918	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Na"	22.989218
"321346"	300.279947	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+H+Na"	23.996494
"709395"	444.420797	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+H+Na"	23.996494
"1461549"	156.139097	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H+Na"	23.996494
"1057554"	104.42849	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2H+Na"	25.00377
"1263609"	321.315186	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+CH3OH+H"	33.033486
"387289"	615.526558	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+K"	38.963158
"747556"	903.808258	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+K"	38.963158
"1551796"	327.244858	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+K"	38.963158
"310067"	308.266917	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+H+K"	39.970434
"705770"	452.407767	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+H+K"	39.970434
"1460809"	164.126067	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H+K"	39.970434
"251196"	618.597226	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+ACN+H"	42.033826
"1224307"	330.315526	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+ACN+H"	42.033826
"1208919"	165.661401	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+ACN+2H"	43.041102
"200569"	621.53456	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+2Na-H"	44.97116
"643822"	909.81626	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+2Na-H"	44.97116
"1145830"	333.25286	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2Na-H"	44.97116
"188270"	311.270918	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+2Na"	45.978436
"627465"	455.411768	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+2Na"	45.978436
"1125265"	167.130068	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2Na"	45.978436
"1405872"	111.755804	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H+2Na"	46.985712
"1439082"	335.294446	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H+HCOOH"	47.012746
"225861"	316.30394	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+3H2O+2H"	56.04448
"1516839"	349.34649	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+IsoProp+H"	61.06479
"419076"	319.257888	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+Na+K"	61.952376
"780068"	463.398738	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+Na+K"	61.952376
"1675303"	175.117038	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Na+K"	61.952376
"260367"	640.579168	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+ACN+Na"	64.015768
"1232709"	352.297468	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+ACN+Na"	64.015768
"1715397"	352.320993	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+NH4+HCOOH"	64.039293
"1181114"	119.083118	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+3Na"	68.967654
"1652831"	357.276388	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Na+HCOOH"	68.994688
"162608"	653.48244	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+2K-H"	76.91904
"601805"	941.76414	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+2K-H"	76.91904
"1084976"	365.20074	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2K-H"	76.91904
"143006"	327.244858	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"2M+2K"	77.926316
"589627"	471.385708	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"3M+2K"	77.926316
"1073045"	183.104008	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2K"	77.926316
"1106991"	367.215292	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2K+H"	78.933592
"1340095"	367.302907	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+DMSO+H"	79.021207
"1011903"	371.342076	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2ACN+H"	83.060376
"1538413"	372.335708	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+IsoProp+Na+H"	84.054008
"1001944"	186.174676	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+2ACN+2H"	84.067652
"1588058"	373.250328	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+K+HCOOH"	84.968628
"1416273"	403.281838	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+H+CF3COOH"	115.000138
"1152395"	206.687951	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+3ACN+2H"	125.094202
"1703041"	420.308385	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+NH4+CF3COOH"	132.026685
"1635779"	425.26378	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+Na+CF3COOH"	136.98208
"1571792"	441.23772	"C01523"	"Pregnane;5beta-Pregnane"	"C21H36"	"288.2817"	"M+K+CF3COOH"	152.95602
"815166"	164.0586	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M"	0
"988087"	145.04021	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-H2O-H"	-19.01839
"71955"	108.365124	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M-3H"	-3.021828
"513704"	163.051324	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M-3H"	-3.021828
"893700"	53.678924	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-3H"	-3.021828
"13364"	163.051324	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M-2H"	-2.014552
"453173"	245.080624	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M-2H"	-2.014552
"831339"	81.022024	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-2H"	-2.014552
"93158"	327.109924	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M-H"	-1.007276
"532475"	491.168524	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M-H"	-1.007276
"908937"	163.051324	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-H"	-1.007276
"60149"	344.136471	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M-2H+NH4"	16.019271
"501175"	508.195071	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M-2H+NH4"	16.019271
"877510"	180.077871	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-2H+NH4"	16.019271
"45780"	349.091866	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M-2H+Na"	20.974666
"483999"	513.150466	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M-2H+Na"	20.974666
"859613"	185.033266	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-2H+Na"	20.974666
"1631332"	185.033266	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Na-2H"	20.974666
"105676"	181.039663	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M-H+Cl"	33.962126
"547421"	263.068963	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M-H+Cl"	33.962126
"928914"	99.010363	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-H+Cl"	33.962126
"270752"	363.086602	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+Cl"	34.969402
"663173"	527.145202	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+Cl"	34.969402
"1274483"	199.028002	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Cl"	34.969402
"20323"	365.065806	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M-2H+K"	36.948606
"460976"	529.124406	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M-2H+K"	36.948606
"842056"	201.007206	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-2H+K"	36.948606
"1567731"	201.007206	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+K-2H"	36.948606
"954522"	209.056794	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-H+HCOOH"	44.998194
"373831"	373.115401	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+HCOOH-H"	44.998201
"351159"	387.131051	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+Hac-H"	59.013851
"1498899"	223.072451	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Hac-H"	59.013851
"962064"	231.038751	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-H+NaCOOH"	66.980151
"110843"	199.028002	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+2Cl"	69.938804
"550768"	281.057302	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+2Cl"	69.938804
"1021876"	116.998702	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2Cl"	69.938804
"1248756"	242.977485	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Br"	78.918885
"1316675"	245.033472	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Cl+HCOOH"	80.974872
"1329796"	267.015429	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Cl+NaCOOH"	102.956829
"924139"	277.044186	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M-H+CF3COOH"	112.985586
"1294285"	313.020864	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Cl+CF3COOH"	148.962264
"1372449"	129.045924	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H-2H2O"	-35.012676
"1393225"	147.0559	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H-H2O"	-17.0027
"286351"	329.124476	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+H"	1.007276
"684970"	493.183076	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+H"	1.007276
"1364966"	165.065876	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H"	1.007276
"139319"	165.065876	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+2H"	2.014552
"579606"	247.095176	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+2H"	2.014552
"1051686"	83.036576	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2H"	2.014552
"219101"	110.379676	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+3H"	3.021828
"655864"	165.065876	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+3H"	3.021828
"1170710"	55.693476	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+3H"	3.021828
"435076"	346.151023	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+NH4"	18.033823
"799352"	510.209623	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+NH4"	18.033823
"1695931"	182.092423	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+NH4"	18.033823
"342869"	173.5791495	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+H+NH4"	19.041099
"730917"	255.6084495	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+H+NH4"	19.041099
"1486924"	91.5498495	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H+NH4"	19.041099
"405609"	351.106418	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+Na"	22.989218
"765144"	515.165018	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+Na"	22.989218
"1609235"	187.047818	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Na"	22.989218
"315138"	176.056847	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+H+Na"	23.996494
"709503"	258.086147	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+H+Na"	23.996494
"1464419"	94.027547	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H+Na"	23.996494
"1062041"	63.02079	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2H+Na"	25.00377
"1266271"	197.092086	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+CH3OH+H"	33.033486
"389221"	367.080358	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+K"	38.963158
"752041"	531.138958	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+K"	38.963158
"1554095"	203.021758	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+K"	38.963158
"313458"	184.043817	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+H+K"	39.970434
"706367"	266.073117	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+H+K"	39.970434
"1461047"	102.014517	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H+K"	39.970434
"250611"	370.151026	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+ACN+H"	42.033826
"1224660"	206.092426	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+ACN+H"	42.033826
"1205985"	103.549851	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+ACN+2H"	43.041102
"203480"	373.08836	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+2Na-H"	44.97116
"639509"	537.14696	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+2Na-H"	44.97116
"1141922"	209.02976	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2Na-H"	44.97116
"187408"	187.047818	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+2Na"	45.978436
"626971"	269.077118	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+2Na"	45.978436
"1129748"	105.018518	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2Na"	45.978436
"1408534"	70.348104	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H+2Na"	46.985712
"1440649"	211.071346	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H+HCOOH"	47.012746
"231072"	192.08084	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+3H2O+2H"	56.04448
"1522050"	225.12339	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+IsoProp+H"	61.06479
"422103"	195.034788	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+Na+K"	61.952376
"783826"	277.064088	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+Na+K"	61.952376
"1677967"	113.005488	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Na+K"	61.952376
"260838"	392.132968	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+ACN+Na"	64.015768
"1228078"	228.074368	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+ACN+Na"	64.015768
"1718788"	228.097893	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+NH4+HCOOH"	64.039293
"1181588"	77.675418	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+3Na"	68.967654
"1653670"	233.053288	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Na+HCOOH"	68.994688
"159801"	405.03624	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+2K-H"	76.91904
"601909"	569.09484	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+2K-H"	76.91904
"1087879"	240.97764	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2K-H"	76.91904
"146528"	203.021758	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"2M+2K"	77.926316
"594964"	285.051058	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"3M+2K"	77.926316
"1080451"	120.992458	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2K"	77.926316
"1107098"	242.992192	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2K+H"	78.933592
"1340200"	243.079807	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+DMSO+H"	79.021207
"1012009"	247.118976	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2ACN+H"	83.060376
"1527948"	248.112608	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+IsoProp+Na+H"	84.054008
"996584"	124.063126	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+2ACN+2H"	84.067652
"1596558"	249.027228	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+K+HCOOH"	84.968628
"1418937"	279.058738	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+H+CF3COOH"	115.000138
"1149955"	144.576401	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+3ACN+2H"	125.094202
"1698414"	296.085285	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+NH4+CF3COOH"	132.026685
"1634792"	301.04068	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+Na+CF3COOH"	136.98208
"1575551"	317.01462	"C01526"	"Ricinine"	"C8H8N2O2"	"164.0586"	"M+K+CF3COOH"	152.95602
"813573"	354.0951	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M"	0
"984919"	335.07671	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-H2O-H"	-19.01839
"74255"	235.056124	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M-3H"	-3.021828
"518454"	353.087824	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M-3H"	-3.021828
"894905"	117.024424	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-3H"	-3.021828
"14574"	353.087824	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M-2H"	-2.014552
"451948"	530.135374	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M-2H"	-2.014552
"831208"	176.040274	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-2H"	-2.014552
"93513"	707.182924	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M-H"	-1.007276
"533884"	1061.278024	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M-H"	-1.007276
"910396"	353.087824	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-H"	-1.007276
"61970"	724.209471	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M-2H+NH4"	16.019271
"502382"	1078.304571	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M-2H+NH4"	16.019271
"878845"	370.114371	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-2H+NH4"	16.019271
"46217"	729.164866	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M-2H+Na"	20.974666
"477550"	1083.259966	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M-2H+Na"	20.974666
"854259"	375.069766	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-2H+Na"	20.974666
"1627073"	375.069766	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Na-2H"	20.974666
"104695"	371.076163	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M-H+Cl"	33.962126
"546080"	548.123713	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M-H+Cl"	33.962126
"937771"	194.028613	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-H+Cl"	33.962126
"281557"	743.159602	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+Cl"	34.969402
"666563"	1097.254702	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+Cl"	34.969402
"1280064"	389.064502	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Cl"	34.969402
"29909"	745.138806	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M-2H+K"	36.948606
"467646"	1099.233906	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M-2H+K"	36.948606
"846544"	391.043706	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-2H+K"	36.948606
"1564564"	391.043706	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+K-2H"	36.948606
"953543"	399.093294	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-H+HCOOH"	44.998194
"371759"	753.188401	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+HCOOH-H"	44.998201
"351270"	767.204051	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+Hac-H"	59.013851
"1495727"	413.108951	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Hac-H"	59.013851
"962175"	421.075251	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-H+NaCOOH"	66.980151
"112541"	389.064502	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+2Cl"	69.938804
"552465"	566.112052	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+2Cl"	69.938804
"1034755"	212.016952	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2Cl"	69.938804
"1255065"	433.013985	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Br"	78.918885
"1317880"	435.069972	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Cl+HCOOH"	80.974872
"1327721"	457.051929	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Cl+NaCOOH"	102.956829
"919874"	467.080686	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M-H+CF3COOH"	112.985586
"1299865"	503.057364	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Cl+CF3COOH"	148.962264
"1379850"	319.082424	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H-2H2O"	-35.012676
"1395523"	337.0924	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H-H2O"	-17.0027
"296307"	709.197476	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+H"	1.007276
"689584"	1063.292576	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+H"	1.007276
"1366052"	355.102376	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H"	1.007276
"140158"	355.102376	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+2H"	2.014552
"578256"	532.149926	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+2H"	2.014552
"1051797"	178.054826	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2H"	2.014552
"219454"	237.070676	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+3H"	3.021828
"658892"	355.102376	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+3H"	3.021828
"1176287"	119.038976	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+3H"	3.021828
"438466"	726.224023	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+NH4"	18.033823
"799462"	1080.319123	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+NH4"	18.033823
"1696036"	372.128923	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+NH4"	18.033823
"334230"	363.6156495	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+H+NH4"	19.041099
"733216"	540.6631995	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+H+NH4"	19.041099
"1489222"	186.5680995	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H+NH4"	19.041099
"403531"	731.179418	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+Na"	22.989218
"765620"	1085.274518	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+Na"	22.989218
"1608251"	377.084318	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Na"	22.989218
"318290"	366.093347	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+H+Na"	23.996494
"710708"	543.140897	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+H+Na"	23.996494
"1465624"	189.045797	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H+Na"	23.996494
"1061057"	126.36629	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2H+Na"	25.00377
"1270027"	387.128586	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+CH3OH+H"	33.033486
"388969"	747.153358	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+K"	38.963158
"753246"	1101.248458	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+K"	38.963158
"1554819"	393.058258	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+K"	38.963158
"313854"	374.080317	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+H+K"	39.970434
"706643"	551.127867	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+H+K"	39.970434
"1461072"	197.032767	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H+K"	39.970434
"250735"	750.224026	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+ACN+H"	42.033826
"1225570"	396.128926	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+ACN+H"	42.033826
"1209586"	198.568101	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+ACN+2H"	43.041102
"203963"	753.16136	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+2Na-H"	44.97116
"643524"	1107.25646	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+2Na-H"	44.97116
"1146905"	399.06626	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2Na-H"	44.97116
"186788"	377.084318	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+2Na"	45.978436
"625987"	554.131868	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+2Na"	45.978436
"1129861"	200.036768	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2Na"	45.978436
"1412654"	133.693604	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H+2Na"	46.985712
"1443676"	401.107846	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H+HCOOH"	47.012746
"235073"	382.11734	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+3H2O+2H"	56.04448
"1522532"	415.15989	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+IsoProp+H"	61.06479
"422583"	385.071288	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+Na+K"	61.952376
"783941"	562.118838	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+Na+K"	61.952376
"1680268"	208.023738	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Na+K"	61.952376
"264597"	772.205968	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+ACN+Na"	64.015768
"1240472"	418.110868	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+ACN+Na"	64.015768
"1722545"	418.134393	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+NH4+HCOOH"	64.039293
"1185711"	141.020918	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+3Na"	68.967654
"1656699"	423.089788	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Na+HCOOH"	68.994688
"166478"	785.10924	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+2K-H"	76.91904
"603120"	1139.20434	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+2K-H"	76.91904
"1089819"	431.01414	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2K-H"	76.91904
"155028"	393.058258	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"2M+2K"	77.926316
"591672"	570.105808	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"3M+2K"	77.926316
"1079467"	216.010708	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2K"	77.926316
"1111582"	433.028692	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2K+H"	78.933592
"1343591"	433.116307	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+DMSO+H"	79.021207
"1011028"	437.155476	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2ACN+H"	83.060376
"1526967"	438.149108	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+IsoProp+Na+H"	84.054008
"993414"	219.081376	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+2ACN+2H"	84.067652
"1588648"	439.063728	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+K+HCOOH"	84.968628
"1417225"	469.095238	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+H+CF3COOH"	115.000138
"1148242"	239.594651	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+3ACN+2H"	125.094202
"1703263"	486.121785	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+NH4+CF3COOH"	132.026685
"1634371"	491.07718	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+Na+CF3COOH"	136.98208
"1575661"	507.05112	"C01527"	"Scopolin"	"C16H18O9"	"354.0951"	"M+K+CF3COOH"	152.95602
"812590"	81.9322	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M"	0
"985028"	62.91381	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-H2O-H"	-19.01839
"72176"	53.6141906666667	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M-3H"	-3.021828
"507362"	80.924924	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M-3H"	-3.021828
"893915"	26.3034573333333	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-3H"	-3.021828
"10305"	80.924924	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M-2H"	-2.014552
"450961"	121.891024	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M-2H"	-2.014552
"829856"	39.958824	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-2H"	-2.014552
"92035"	162.857124	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M-H"	-1.007276
"534183"	244.789324	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M-H"	-1.007276
"908304"	80.924924	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-H"	-1.007276
"59397"	179.883671	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M-2H+NH4"	16.019271
"502238"	261.815871	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M-2H+NH4"	16.019271
"876757"	97.951471	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-2H+NH4"	16.019271
"40283"	184.839066	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M-2H+Na"	20.974666
"477660"	266.771266	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M-2H+Na"	20.974666
"853276"	102.906866	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-2H+Na"	20.974666
"1626090"	102.906866	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Na-2H"	20.974666
"101525"	98.913263	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M-H+Cl"	33.962126
"544368"	139.879363	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M-H+Cl"	33.962126
"936788"	57.947163	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-H+Cl"	33.962126
"276440"	198.833802	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+Cl"	34.969402
"666673"	280.766002	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+Cl"	34.969402
"1274335"	116.901602	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Cl"	34.969402
"20542"	200.813006	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M-2H+K"	36.948606
"464475"	282.745206	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M-2H+K"	36.948606
"837906"	118.880806	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-2H+K"	36.948606
"1564674"	118.880806	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+K-2H"	36.948606
"954745"	126.930394	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-H+HCOOH"	44.998194
"368587"	208.862601	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+HCOOH-H"	44.998201
"352473"	222.878251	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+Hac-H"	59.013851
"1503492"	140.946051	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Hac-H"	59.013851
"965566"	148.912351	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-H+NaCOOH"	66.980151
"117756"	116.901602	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+2Cl"	69.938804
"559504"	157.867702	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+2Cl"	69.938804
"1034865"	75.935502	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2Cl"	69.938804
"1255175"	160.851085	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Br"	78.918885
"1313613"	162.907072	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Cl+HCOOH"	80.974872
"1327831"	184.889029	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Cl+NaCOOH"	102.956829
"914880"	194.917786	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M-H+CF3COOH"	112.985586
"1299976"	230.894464	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Cl+CF3COOH"	148.962264
"1378866"	46.919524	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H-2H2O"	-35.012676
"1393446"	64.9295	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H-H2O"	-17.0027
"294959"	164.871676	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+H"	1.007276
"689936"	246.803876	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+H"	1.007276
"1365920"	82.939476	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H"	1.007276
"139538"	82.939476	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+2H"	2.014552
"575452"	123.905576	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+2H"	2.014552
"1045343"	41.973376	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2H"	2.014552
"217256"	55.6287426666667	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+3H"	3.021828
"656816"	82.939476	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+3H"	3.021828
"1176034"	28.3180093333333	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+3H"	3.021828
"434932"	181.898223	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+NH4"	18.033823
"797021"	263.830423	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+NH4"	18.033823
"1691530"	99.966023	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+NH4"	18.033823
"343097"	91.4527495	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+H+NH4"	19.041099
"735515"	132.4188495	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+H+NH4"	19.041099
"1491158"	50.4866495	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H+NH4"	19.041099
"407652"	186.853618	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+Na"	22.989218
"768283"	268.785818	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+Na"	22.989218
"1611644"	104.921418	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Na"	22.989218
"318400"	93.930447	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+H+Na"	23.996494
"710820"	134.896547	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+H+Na"	23.996494
"1466828"	52.964347	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H+Na"	23.996494
"1063354"	35.6453233333333	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2H+Na"	25.00377
"1267221"	114.965686	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+CH3OH+H"	33.033486
"390172"	202.827558	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+K"	38.963158
"752262"	284.759758	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+K"	38.963158
"1553953"	120.895358	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+K"	38.963158
"314010"	101.917417	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+H+K"	39.970434
"706836"	142.883517	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+H+K"	39.970434
"1461060"	60.951317	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H+K"	39.970434
"251287"	205.898226	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+ACN+H"	42.033826
"1225334"	123.966026	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+ACN+H"	42.033826
"1209743"	62.486651	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+ACN+2H"	43.041102
"204154"	208.83556	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+2Na-H"	44.97116
"644154"	290.76776	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+2Na-H"	44.97116
"1145796"	126.90336	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2Na-H"	44.97116
"188074"	104.921418	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+2Na"	45.978436
"626824"	145.887518	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+2Na"	45.978436
"1129235"	63.955318	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2Na"	45.978436
"1412399"	42.9726373333333	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H+2Na"	46.985712
"1440502"	128.944946	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H+HCOOH"	47.012746
"233846"	109.95444	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+3H2O+2H"	56.04448
"1520451"	142.99699	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+IsoProp+H"	61.06479
"423706"	112.908388	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+Na+K"	61.952376
"783689"	153.874488	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+Na+K"	61.952376
"1678556"	71.942288	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Na+K"	61.952376
"263987"	227.880168	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+ACN+Na"	64.015768
"1240331"	145.947968	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+ACN+Na"	64.015768
"1720468"	145.971493	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+NH4+HCOOH"	64.039293
"1181448"	50.2999513333333	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+3Na"	68.967654
"1656809"	150.926888	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Na+HCOOH"	68.994688
"163667"	240.78344	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+2K-H"	76.91904
"603230"	322.71564	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+2K-H"	76.91904
"1089929"	158.85124	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2K-H"	76.91904
"146748"	120.895358	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"2M+2K"	77.926316
"594333"	161.861458	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"3M+2K"	77.926316
"1081397"	79.929258	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2K"	77.926316
"1108413"	160.865792	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2K+H"	78.933592
"1343702"	160.953407	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+DMSO+H"	79.021207
"1013326"	164.992576	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2ACN+H"	83.060376
"1530357"	165.986208	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+IsoProp+Na+H"	84.054008
"993524"	82.999926	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+2ACN+2H"	84.067652
"1591310"	166.900828	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+K+HCOOH"	84.968628
"1416971"	196.932338	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+H+CF3COOH"	115.000138
"1147174"	103.513201	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+3ACN+2H"	125.094202
"1700093"	213.958885	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+NH4+CF3COOH"	132.026685
"1635017"	218.91428	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+Na+CF3COOH"	136.98208
"1575771"	234.88822	"C01528"	"Hydrogen selenide;Selenide"	"H2Se"	"81.9322"	"M+K+CF3COOH"	152.95602
"812697"	79.9165	"C01529"	"Selenium"	"Se"	"79.9165"	"M"	0
"988418"	60.89811	"C01529"	"Selenium"	"Se"	"79.9165"	"M-H2O-H"	-19.01839
"74473"	52.2703906666667	"C01529"	"Selenium"	"Se"	"79.9165"	"2M-3H"	-3.021828
"509659"	78.909224	"C01529"	"Selenium"	"Se"	"79.9165"	"3M-3H"	-3.021828
"895289"	25.6315573333333	"C01529"	"Selenium"	"Se"	"79.9165"	"M-3H"	-3.021828
"13700"	78.909224	"C01529"	"Selenium"	"Se"	"79.9165"	"2M-2H"	-2.014552
"453258"	118.867474	"C01529"	"Selenium"	"Se"	"79.9165"	"3M-2H"	-2.014552
"828872"	38.950974	"C01529"	"Selenium"	"Se"	"79.9165"	"M-2H"	-2.014552
"92145"	158.825724	"C01529"	"Selenium"	"Se"	"79.9165"	"2M-H"	-1.007276
"530612"	238.742224	"C01529"	"Selenium"	"Se"	"79.9165"	"3M-H"	-1.007276
"909753"	78.909224	"C01529"	"Selenium"	"Se"	"79.9165"	"M-H"	-1.007276
"62660"	175.852271	"C01529"	"Selenium"	"Se"	"79.9165"	"2M-2H+NH4"	16.019271
"501135"	255.768771	"C01529"	"Selenium"	"Se"	"79.9165"	"3M-2H+NH4"	16.019271
"878569"	95.935771	"C01529"	"Selenium"	"Se"	"79.9165"	"M-2H+NH4"	16.019271
"45740"	180.807666	"C01529"	"Selenium"	"Se"	"79.9165"	"2M-2H+Na"	20.974666
"482144"	260.724166	"C01529"	"Selenium"	"Se"	"79.9165"	"3M-2H+Na"	20.974666
"857759"	100.891166	"C01529"	"Selenium"	"Se"	"79.9165"	"M-2H+Na"	20.974666
"1629480"	100.891166	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Na-2H"	20.974666
"104915"	96.897563	"C01529"	"Selenium"	"Se"	"79.9165"	"2M-H+Cl"	33.962126
"546299"	136.855813	"C01529"	"Selenium"	"Se"	"79.9165"	"3M-H+Cl"	33.962126
"939085"	56.939313	"C01529"	"Selenium"	"Se"	"79.9165"	"M-H+Cl"	33.962126
"279832"	194.802402	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+Cl"	34.969402
"670063"	274.718902	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+Cl"	34.969402
"1274447"	114.885902	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Cl"	34.969402
"23932"	196.781606	"C01529"	"Selenium"	"Se"	"79.9165"	"2M-2H+K"	36.948606
"464585"	276.698106	"C01529"	"Selenium"	"Se"	"79.9165"	"3M-2H+K"	36.948606
"838016"	116.865106	"C01529"	"Selenium"	"Se"	"79.9165"	"M-2H+K"	36.948606
"1564784"	116.865106	"C01529"	"Selenium"	"Se"	"79.9165"	"M+K-2H"	36.948606
"953761"	124.914694	"C01529"	"Selenium"	"Se"	"79.9165"	"M-H+HCOOH"	44.998194
"370884"	204.831201	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+HCOOH-H"	44.998201
"355864"	218.846851	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+Hac-H"	59.013851
"1505790"	138.930351	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Hac-H"	59.013851
"969686"	146.896651	"C01529"	"Selenium"	"Se"	"79.9165"	"M-H+NaCOOH"	66.980151
"121146"	114.885902	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+2Cl"	69.938804
"564596"	154.844152	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+2Cl"	69.938804
"1033883"	74.927652	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2Cl"	69.938804
"1251274"	158.835385	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Br"	78.918885
"1311536"	160.891372	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Cl+HCOOH"	80.974872
"1327941"	182.873329	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Cl+NaCOOH"	102.956829
"920094"	192.902086	"C01529"	"Selenium"	"Se"	"79.9165"	"M-H+CF3COOH"	112.985586
"1296803"	228.878764	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Cl+CF3COOH"	148.962264
"1376059"	44.903824	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H-2H2O"	-35.012676
"1393556"	62.9138	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H-H2O"	-17.0027
"295437"	160.840276	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+H"	1.007276
"690049"	240.756776	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+H"	1.007276
"1364209"	80.923776	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H"	1.007276
"139892"	80.923776	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+2H"	2.014552
"573373"	120.882026	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+2H"	2.014552
"1046911"	40.965526	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2H"	2.014552
"215906"	54.2849426666667	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+3H"	3.021828
"650728"	80.923776	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+3H"	3.021828
"1174321"	27.6461093333333	"C01529"	"Selenium"	"Se"	"79.9165"	"M+3H"	3.021828
"431032"	177.866823	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+NH4"	18.033823
"790934"	257.783323	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+NH4"	18.033823
"1690545"	97.950323	"C01529"	"Selenium"	"Se"	"79.9165"	"M+NH4"	18.033823
"343935"	89.4370495	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+H+NH4"	19.041099
"732342"	129.3952995	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+H+NH4"	19.041099
"1491634"	49.4787995	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H+NH4"	19.041099
"407395"	182.822218	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+Na"	22.989218
"768029"	262.738718	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+Na"	22.989218
"1616127"	102.905718	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Na"	22.989218
"320696"	91.914747	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+H+Na"	23.996494
"713116"	131.872997	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+H+Na"	23.996494
"1471314"	51.956497	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H+Na"	23.996494
"1062371"	34.9734233333333	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2H+Na"	25.00377
"1267330"	112.949986	"C01529"	"Selenium"	"Se"	"79.9165"	"M+CH3OH+H"	33.033486
"390280"	198.796158	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+K"	38.963158
"753098"	278.712658	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+K"	38.963158
"1554790"	118.879658	"C01529"	"Selenium"	"Se"	"79.9165"	"M+K"	38.963158
"313059"	99.901717	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+H+K"	39.970434
"706819"	139.859967	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+H+K"	39.970434
"1460760"	59.943467	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H+K"	39.970434
"251381"	201.866826	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+ACN+H"	42.033826
"1225108"	121.950326	"C01529"	"Selenium"	"Se"	"79.9165"	"M+ACN+H"	42.033826
"1207410"	61.478801	"C01529"	"Selenium"	"Se"	"79.9165"	"M+ACN+2H"	43.041102
"202716"	204.80416	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+2Na-H"	44.97116
"640933"	284.72066	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+2Na-H"	44.97116
"1144805"	124.88766	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2Na-H"	44.97116
"186886"	102.905718	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+2Na"	45.978436
"624743"	142.863968	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+2Na"	45.978436
"1128616"	62.947468	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2Na"	45.978436
"1411051"	42.3007373333333	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H+2Na"	46.985712
"1442437"	126.929246	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H+HCOOH"	47.012746
"235461"	107.93874	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+3H2O+2H"	56.04448
"1522019"	140.98129	"C01529"	"Selenium"	"Se"	"79.9165"	"M+IsoProp+H"	61.06479
"420611"	110.892688	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+Na+K"	61.952376
"781967"	150.850938	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+Na+K"	61.952376
"1675017"	70.934438	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Na+K"	61.952376
"258983"	223.848768	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+ACN+Na"	64.015768
"1232785"	143.932268	"C01529"	"Selenium"	"Se"	"79.9165"	"M+ACN+Na"	64.015768
"1716200"	143.955793	"C01529"	"Selenium"	"Se"	"79.9165"	"M+NH4+HCOOH"	64.039293
"1183382"	49.6280513333333	"C01529"	"Selenium"	"Se"	"79.9165"	"M+3Na"	68.967654
"1655094"	148.911188	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Na+HCOOH"	68.994688
"159400"	236.75204	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+2K-H"	76.91904
"598235"	316.66854	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+2K-H"	76.91904
"1087852"	156.83554	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2K-H"	76.91904
"150138"	118.879658	"C01529"	"Selenium"	"Se"	"79.9165"	"2M+2K"	77.926316
"594443"	158.837908	"C01529"	"Selenium"	"Se"	"79.9165"	"3M+2K"	77.926316
"1082966"	78.921408	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2K"	77.926316
"1103785"	158.850092	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2K+H"	78.933592
"1348188"	158.937707	"C01529"	"Selenium"	"Se"	"79.9165"	"M+DMSO+H"	79.021207
"1014532"	162.976876	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2ACN+H"	83.060376
"1535936"	163.970508	"C01529"	"Selenium"	"Se"	"79.9165"	"M+IsoProp+Na+H"	84.054008
"996915"	81.992076	"C01529"	"Selenium"	"Se"	"79.9165"	"M+2ACN+2H"	84.067652
"1596888"	164.885128	"C01529"	"Selenium"	"Se"	"79.9165"	"M+K+HCOOH"	84.968628
"1425830"	194.916638	"C01529"	"Selenium"	"Se"	"79.9165"	"M+H+CF3COOH"	115.000138
"1152838"	102.505351	"C01529"	"Selenium"	"Se"	"79.9165"	"M+3ACN+2H"	125.094202
"1706763"	211.943185	"C01529"	"Selenium"	"Se"	"79.9165"	"M+NH4+CF3COOH"	132.026685
"1635491"	216.89858	"C01529"	"Selenium"	"Se"	"79.9165"	"M+Na+CF3COOH"	136.98208
"1575881"	232.87252	"C01529"	"Selenium"	"Se"	"79.9165"	"M+K+CF3COOH"	152.95602
"812807"	284.2715	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M"	0
"988164"	265.25311	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-H2O-H"	-19.01839
"76408"	188.507057333333	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M-3H"	-3.021828
"509769"	283.264224	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M-3H"	-3.021828
"894021"	93.7498906666667	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-3H"	-3.021828
"14295"	283.264224	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M-2H"	-2.014552
"454097"	425.399974	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M-2H"	-2.014552
"831537"	141.128474	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-2H"	-2.014552
"92985"	567.535724	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M-H"	-1.007276
"533643"	851.807224	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M-H"	-1.007276
"911276"	283.264224	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-H"	-1.007276
"61321"	584.562271	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M-2H+NH4"	16.019271
"502099"	868.833771	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M-2H+NH4"	16.019271
"879171"	300.290771	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-2H+NH4"	16.019271
"46221"	589.517666	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M-2H+Na"	20.974666
"478975"	873.789166	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M-2H+Na"	20.974666
"854589"	305.246166	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-2H+Na"	20.974666
"1626310"	305.246166	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Na-2H"	20.974666
"105028"	301.252563	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M-H+Cl"	33.962126
"544587"	443.388313	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M-H+Cl"	33.962126
"931545"	159.116813	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-H+Cl"	33.962126
"278850"	603.512402	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+Cl"	34.969402
"670173"	887.783902	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+Cl"	34.969402
"1273465"	319.240902	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Cl"	34.969402
"20762"	605.491606	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M-2H+K"	36.948606
"466882"	889.763106	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M-2H+K"	36.948606
"839219"	321.220106	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-2H+K"	36.948606
"1564894"	321.220106	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+K-2H"	36.948606
"953871"	329.269694	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-H+HCOOH"	44.998194
"368807"	613.541201	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+HCOOH-H"	44.998201
"354879"	627.556851	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+Hac-H"	59.013851
"1504805"	343.285351	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Hac-H"	59.013851
"970527"	351.251651	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-H+NaCOOH"	66.980151
"119069"	319.240902	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+2Cl"	69.938804
"558629"	461.376652	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+2Cl"	69.938804
"1033992"	177.105152	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2Cl"	69.938804
"1251384"	363.190385	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Br"	78.918885
"1313833"	365.246372	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Cl+HCOOH"	80.974872
"1325865"	387.228329	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Cl+NaCOOH"	102.956829
"920204"	397.257086	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M-H+CF3COOH"	112.985586
"1296913"	433.233764	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Cl+CF3COOH"	148.962264
"1375076"	249.258824	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H-2H2O"	-35.012676
"1396589"	267.2688	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H-H2O"	-17.0027
"297251"	569.550276	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+H"	1.007276
"690280"	853.821776	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+H"	1.007276
"1366143"	285.278776	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H"	1.007276
"137569"	285.278776	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+2H"	2.014552
"570204"	427.414526	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+2H"	2.014552
"1047751"	143.143026	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2H"	2.014552
"216382"	190.521609333333	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+3H"	3.021828
"654120"	285.278776	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+3H"	3.021828
"1174068"	95.7644426666667	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+3H"	3.021828
"431143"	586.576823	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+NH4"	18.033823
"793232"	870.848323	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+NH4"	18.033823
"1686282"	302.305323	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+NH4"	18.033823
"344048"	293.7920495	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+H+NH4"	19.041099
"737073"	435.9277995	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+H+NH4"	19.041099
"1491744"	151.6562995	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H+NH4"	19.041099
"407023"	591.532218	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+Na"	22.989218
"768507"	875.803718	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+Na"	22.989218
"1616483"	307.260718	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Na"	22.989218
"321899"	296.269747	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+H+Na"	23.996494
"716506"	438.405497	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+H+Na"	23.996494
"1471424"	154.133997	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H+Na"	23.996494
"1063211"	103.091756666667	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2H+Na"	25.00377
"1264163"	317.304986	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+CH3OH+H"	33.033486
"387109"	607.506158	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+K"	38.963158
"751752"	891.777658	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+K"	38.963158
"1551616"	323.234658	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+K"	38.963158
"311711"	304.256717	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+H+K"	39.970434
"700852"	446.392467	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+H+K"	39.970434
"1456130"	162.120967	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H+K"	39.970434
"250201"	610.576826	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+ACN+H"	42.033826
"1224611"	326.305326	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+ACN+H"	42.033826
"1205332"	163.656301	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+ACN+2H"	43.041102
"203433"	613.51416	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+2Na-H"	44.97116
"638856"	897.78566	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+2Na-H"	44.97116
"1143820"	329.24266	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2Na-H"	44.97116
"185658"	307.260718	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+2Na"	45.978436
"626189"	449.396468	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+2Na"	45.978436
"1128360"	165.124968	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2Na"	45.978436
"1412255"	110.419070666667	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H+2Na"	46.985712
"1443279"	331.284246	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H+HCOOH"	47.012746
"234435"	312.29374	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+3H2O+2H"	56.04448
"1522129"	345.33629	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+IsoProp+H"	61.06479
"421086"	315.247688	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+Na+K"	61.952376
"781714"	457.383438	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+Na+K"	61.952376
"1674760"	173.111938	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Na+K"	61.952376
"257999"	632.558768	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+ACN+Na"	64.015768
"1227058"	348.287268	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+ACN+Na"	64.015768
"1716309"	348.310793	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+NH4+HCOOH"	64.039293
"1183125"	117.746384666667	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+3Na"	68.967654
"1653382"	353.266188	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Na+HCOOH"	68.994688
"159149"	645.46204	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+2K-H"	76.91904
"598709"	929.73354	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+2K-H"	76.91904
"1087962"	361.19054	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2K-H"	76.91904
"150249"	323.234658	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"2M+2K"	77.926316
"595646"	465.370408	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"3M+2K"	77.926316
"1082590"	181.098908	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2K"	77.926316
"1106448"	363.205092	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2K+H"	78.933592
"1343925"	363.292707	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+DMSO+H"	79.021207
"1017923"	367.331876	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2ACN+H"	83.060376
"1538963"	368.325508	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+IsoProp+Na+H"	84.054008
"997025"	184.169576	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+2ACN+2H"	84.067652
"1593718"	369.240128	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+K+HCOOH"	84.968628
"1422659"	399.271638	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+H+CF3COOH"	115.000138
"1159508"	204.682851	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+3ACN+2H"	125.094202
"1710153"	416.298185	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+NH4+CF3COOH"	132.026685
"1635601"	421.25358	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+Na+CF3COOH"	136.98208
"1575991"	437.22752	"C01530"	"Octadecanoic acid;Stearate;Stearic acid"	"C18H36O2"	"284.2715"	"M+K+CF3COOH"	152.95602
"814014"	356.0882	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M"	0
"988277"	337.06981	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-H2O-H"	-19.01839
"77247"	236.384857333333	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M-3H"	-3.021828
"518267"	355.080924	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M-3H"	-3.021828
"894249"	117.688790666667	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-3H"	-3.021828
"11732"	355.080924	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M-2H"	-2.014552
"451291"	533.125024	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M-2H"	-2.014552
"829093"	177.036824	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-2H"	-2.014552
"89084"	711.169124	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M-H"	-1.007276
"531925"	1067.257324	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M-H"	-1.007276
"909608"	355.080924	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-H"	-1.007276
"61914"	728.195671	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M-2H+NH4"	16.019271
"502329"	1084.283871	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M-2H+NH4"	16.019271
"878912"	372.107471	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-2H+NH4"	16.019271
"44624"	733.151066	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M-2H+Na"	20.974666
"481272"	1089.239266	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M-2H+Na"	20.974666
"855793"	377.062866	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-2H+Na"	20.974666
"1626420"	377.062866	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Na-2H"	20.974666
"102952"	373.069263	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M-H+Cl"	33.962126
"542511"	551.113363	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M-H+Cl"	33.962126
"934936"	195.025163	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-H+Cl"	33.962126
"277866"	747.145802	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+Cl"	34.969402
"672839"	1103.234002	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+Cl"	34.969402
"1284514"	391.057602	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Cl"	34.969402
"20872"	749.125006	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M-2H+K"	36.948606
"468085"	1105.213206	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M-2H+K"	36.948606
"838236"	393.036806	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-2H+K"	36.948606
"1569380"	393.036806	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+K-2H"	36.948606
"951795"	401.086394	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-H+HCOOH"	44.998194
"371104"	757.174601	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+HCOOH-H"	44.998201
"356085"	771.190251	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+Hac-H"	59.013851
"1505284"	415.102051	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Hac-H"	59.013851
"969907"	423.068351	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-H+NaCOOH"	66.980151
"120272"	391.057602	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+2Cl"	69.938804
"563114"	569.101702	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+2Cl"	69.938804
"1033006"	213.013502	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2Cl"	69.938804
"1252588"	435.007085	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Br"	78.918885
"1313945"	437.063072	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Cl+HCOOH"	80.974872
"1325976"	459.045029	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Cl+NaCOOH"	102.956829
"915940"	469.073786	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M-H+CF3COOH"	112.985586
"1301399"	505.050464	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Cl+CF3COOH"	148.962264
"1372998"	321.075524	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H-2H2O"	-35.012676
"1398035"	339.0855	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H-H2O"	-17.0027
"297478"	713.183676	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+H"	1.007276
"690874"	1069.271876	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+H"	1.007276
"1366614"	357.095476	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H"	1.007276
"138771"	357.095476	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+2H"	2.014552
"577242"	535.139576	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+2H"	2.014552
"1048226"	179.051376	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2H"	2.014552
"215398"	238.399409333333	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+3H"	3.021828
"654230"	357.095476	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+3H"	3.021828
"1176973"	119.703342666667	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+3H"	3.021828
"431253"	730.210223	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+NH4"	18.033823
"794435"	1086.298423	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+NH4"	18.033823
"1686392"	374.122023	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+NH4"	18.033823
"344038"	365.6087495	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+H+NH4"	19.041099
"737551"	543.6528495	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+H+NH4"	19.041099
"1491125"	187.5646495	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H+NH4"	19.041099
"407254"	735.165618	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+Na"	22.989218
"760596"	1091.253818	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+Na"	22.989218
"1610881"	379.077418	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Na"	22.989218
"317637"	368.086447	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+H+Na"	23.996494
"712245"	546.130547	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+H+Na"	23.996494
"1469345"	190.042347	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H+Na"	23.996494
"1057122"	127.030656666667	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2H+Na"	25.00377
"1262085"	389.121686	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+CH3OH+H"	33.033486
"386129"	751.139558	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+K"	38.963158
"747125"	1107.227758	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+K"	38.963158
"1553189"	395.051358	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+K"	38.963158
"307812"	376.073417	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+H+K"	39.970434
"700963"	554.117517	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+H+K"	39.970434
"1459157"	198.029317	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H+K"	39.970434
"250195"	754.210226	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+ACN+H"	42.033826
"1224845"	398.122026	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+ACN+H"	42.033826
"1206536"	199.564651	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+ACN+2H"	43.041102
"200502"	757.14756	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+2Na-H"	44.97116
"642381"	1113.23576	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+2Na-H"	44.97116
"1144911"	401.05936	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2Na-H"	44.97116
"186131"	379.077418	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+2Na"	45.978436
"626787"	557.121518	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+2Na"	45.978436
"1126654"	201.033318	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2Na"	45.978436
"1409447"	134.357970666667	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H+2Na"	46.985712
"1439011"	403.100946	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H+HCOOH"	47.012746
"232716"	384.11044	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+3H2O+2H"	56.04448
"1518954"	417.15299	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+IsoProp+H"	61.06479
"420464"	387.064388	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+Na+K"	61.952376
"779636"	565.108488	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+Na+K"	61.952376
"1674871"	209.020288	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Na+K"	61.952376
"258113"	776.192168	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+ACN+Na"	64.015768
"1233007"	420.103968	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+ACN+Na"	64.015768
"1715330"	420.127493	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+NH4+HCOOH"	64.039293
"1181045"	141.685284666667	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+3Na"	68.967654
"1654216"	425.082888	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Na+HCOOH"	68.994688
"159258"	789.09544	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+2K-H"	76.91904
"597237"	1145.18364	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+2K-H"	76.91904
"1085520"	433.00724	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2K-H"	76.91904
"150361"	395.051358	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"2M+2K"	77.926316
"586639"	573.095458	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"3M+2K"	77.926316
"1083185"	217.007258	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2K"	77.926316
"1114939"	435.021792	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2K+H"	78.933592
"1350112"	435.109407	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+DMSO+H"	79.021207
"1020219"	439.148576	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2ACN+H"	83.060376
"1538345"	440.142208	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+IsoProp+Na+H"	84.054008
"1000415"	220.077926	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+2ACN+2H"	84.067652
"1597111"	441.056828	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+K+HCOOH"	84.968628
"1422771"	471.088338	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+H+CF3COOH"	115.000138
"1156339"	240.591201	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+3ACN+2H"	125.094202
"1706984"	488.114885	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+NH4+CF3COOH"	132.026685
"1634655"	493.07028	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+Na+CF3COOH"	136.98208
"1576101"	509.04422	"C01531"	"Sulindac"	"C20H17FO3S"	"356.0882"	"M+K+CF3COOH"	152.95602
"813027"	372.142	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M"	0
"988748"	353.12361	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-H2O-H"	-19.01839
"72616"	247.087390666667	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M-3H"	-3.021828
"518056"	371.134724	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M-3H"	-3.021828
"894359"	123.040057333333	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-3H"	-3.021828
"12935"	371.134724	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M-2H"	-2.014552
"450309"	557.205724	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M-2H"	-2.014552
"827016"	185.063724	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-2H"	-2.014552
"90287"	743.276724	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M-H"	-1.007276
"530941"	1115.418724	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M-H"	-1.007276
"910811"	371.134724	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-H"	-1.007276
"59834"	760.303271	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M-2H+NH4"	16.019271
"502646"	1132.445271	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M-2H+NH4"	16.019271
"879022"	388.161271	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-2H+NH4"	16.019271
"46070"	765.258666	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M-2H+Na"	20.974666
"480288"	1137.400666	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M-2H+Na"	20.974666
"858090"	393.116666	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-2H+Na"	20.974666
"1623250"	393.116666	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Na-2H"	20.974666
"105249"	389.123063	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M-H+Cl"	33.962126
"541528"	575.194063	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M-H+Cl"	33.962126
"937232"	203.052063	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-H+Cl"	33.962126
"274698"	779.253402	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+Cl"	34.969402
"671491"	1151.395402	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+Cl"	34.969402
"1282802"	407.111402	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Cl"	34.969402
"20982"	781.232606	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M-2H+K"	36.948606
"464916"	1153.374606	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M-2H+K"	36.948606
"838346"	409.090606	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-2H+K"	36.948606
"1565114"	409.090606	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+K-2H"	36.948606
"951905"	417.140194	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-H+HCOOH"	44.998194
"371214"	789.282201	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+HCOOH-H"	44.998201
"356195"	803.297851	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+Hac-H"	59.013851
"1505758"	431.155851	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Hac-H"	59.013851
"970017"	439.122151	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-H+NaCOOH"	66.980151
"120382"	407.111402	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+2Cl"	69.938804
"565170"	593.182402	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+2Cl"	69.938804
"1032021"	221.040402	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2Cl"	69.938804
"1252698"	451.060885	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Br"	78.918885
"1310773"	453.116872	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Cl+HCOOH"	80.974872
"1324261"	475.098829	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Cl+NaCOOH"	102.956829
"913132"	485.127586	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M-H+CF3COOH"	112.985586
"1301508"	521.104264	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Cl+CF3COOH"	148.962264
"1375294"	337.129324	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H-2H2O"	-35.012676
"1397901"	355.1393	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H-H2O"	-17.0027
"298195"	745.291276	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+H"	1.007276
"691299"	1117.433276	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+H"	1.007276
"1366916"	373.149276	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H"	1.007276
"133046"	373.149276	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+2H"	2.014552
"578444"	559.220276	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+2H"	2.014552
"1048336"	187.078276	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2H"	2.014552
"216967"	249.101942666667	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+3H"	3.021828
"651060"	373.149276	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+3H"	3.021828
"1174288"	125.054609333333	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+3H"	3.021828
"432457"	762.317823	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+NH4"	18.033823
"795639"	1134.459823	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+NH4"	18.033823
"1687595"	390.175823	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+NH4"	18.033823
"344994"	381.6625495	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+H+NH4"	19.041099
"738308"	567.7335495	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+H+NH4"	19.041099
"1492414"	195.5915495	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H+NH4"	19.041099
"406271"	767.273218	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+Na"	22.989218
"765079"	1139.415218	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+Na"	22.989218
"1614272"	395.131218	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Na"	22.989218
"318840"	384.140247	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+H+Na"	23.996494
"714542"	570.211247	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+H+Na"	23.996494
"1470549"	198.069247	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H+Na"	23.996494
"1057234"	132.381923333333	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2H+Na"	25.00377
"1263288"	405.175486	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+CH3OH+H"	33.033486
"386239"	783.247158	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+K"	38.963158
"752704"	1155.389158	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+K"	38.963158
"1554392"	411.105158	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+K"	38.963158
"310473"	392.127217	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+H+K"	39.970434
"702165"	578.198217	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+H+K"	39.970434
"1457078"	206.056217	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H+K"	39.970434
"251236"	786.317826	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+ACN+H"	42.033826
"1224223"	414.175826	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+ACN+H"	42.033826
"1206646"	207.591551	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+ACN+2H"	43.041102
"202922"	789.25516	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+2Na-H"	44.97116
"643209"	1161.39716	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+2Na-H"	44.97116
"1144902"	417.11316	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2Na-H"	44.97116
"185877"	395.131218	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+2Na"	45.978436
"626533"	581.202218	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+2Na"	45.978436
"1128222"	209.060218	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2Na"	45.978436
"1411379"	139.709237333333	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H+2Na"	46.985712
"1439122"	419.154746	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H+HCOOH"	47.012746
"233432"	400.16424	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+3H2O+2H"	56.04448
"1519064"	433.20679	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+IsoProp+H"	61.06479
"419845"	403.118188	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+Na+K"	61.952376
"779746"	589.189188	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+Na+K"	61.952376
"1674981"	217.047188	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Na+K"	61.952376
"258223"	808.299768	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+ACN+Na"	64.015768
"1233117"	436.157768	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+ACN+Na"	64.015768
"1715076"	436.181293	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+NH4+HCOOH"	64.039293
"1180062"	147.036551333333	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+3Na"	68.967654
"1652870"	441.136688	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Na+HCOOH"	68.994688
"158641"	821.20304	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+2K-H"	76.91904
"598324"	1193.34504	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+2K-H"	76.91904
"1085023"	449.06104	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2K-H"	76.91904
"150471"	411.105158	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"2M+2K"	77.926316
"586749"	597.176158	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"3M+2K"	77.926316
"1074544"	225.034158	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2K"	77.926316
"1115053"	451.075592	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2K+H"	78.933592
"1351202"	451.163207	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+DMSO+H"	79.021207
"1018142"	455.202376	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2ACN+H"	83.060376
"1537360"	456.196008	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+IsoProp+Na+H"	84.054008
"998339"	228.104826	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+2ACN+2H"	84.067652
"1598314"	457.110628	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+K+HCOOH"	84.968628
"1422881"	487.142138	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+H+CF3COOH"	115.000138
"1156449"	248.618101	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+3ACN+2H"	125.094202
"1707094"	504.168685	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+NH4+CF3COOH"	132.026685
"1635090"	509.12408	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+Na+CF3COOH"	136.98208
"1576211"	525.09802	"C01533"	"Syringin;Eleutheroside B"	"C17H24O9"	"372.142"	"M+K+CF3COOH"	152.95602
"813137"	181.0739	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M"	0
"988858"	162.05551	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"72726"	119.708657333333	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"518316"	180.066624	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"892283"	59.3506906666667	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"13046"	180.066624	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"451512"	270.603574	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"828219"	89.529674	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"89304"	361.140524	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"528865"	542.214424	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"911043"	180.066624	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"59702"	378.167071	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"497317"	559.240971	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"878157"	197.093171	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"45573"	383.122466	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"481490"	564.196366	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"857104"	202.048566	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1625547"	202.048566	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"104264"	198.054963	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"541638"	288.591913	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"934060"	107.518013	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"281608"	397.117202	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"671237"	578.191102	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1285098"	216.043302	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"18176"	399.096406	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"461746"	580.170306	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"839549"	218.022506	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1566317"	218.022506	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"953108"	226.072094	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"371324"	407.146001	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"357398"	421.161651	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1505139"	240.087751	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"971584"	248.054051	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"121585"	216.043302	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"560054"	306.580252	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1031038"	125.506352	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1256087"	259.992785	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1311977"	262.048772	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1324371"	284.030729	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"913242"	294.059486	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1298336"	330.036164	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1375404"	146.061224	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1397281"	164.0712	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"298425"	363.155076	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"691139"	544.228976	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1366712"	182.081176	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"133156"	182.081176	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"579282"	272.618126	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1046987"	91.544226	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"215618"	121.723209333333	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"652263"	182.081176	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1172575"	61.3652426666667	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"430380"	380.181623	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"792469"	561.255523	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1687704"	199.107723	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"345351"	190.5944495	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"738376"	281.1313995	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1491832"	100.0574995	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"407477"	385.137018	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"766282"	566.210918	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1616568"	204.063118	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"318950"	193.072147	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"716839"	283.609097	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1469566"	102.535197	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1058437"	68.6925566666667	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1262306"	214.107386	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"387442"	401.110958	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"752814"	582.184858	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1554866"	220.037058	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"312041"	201.059117	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"705555"	291.596067	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1457188"	110.522167	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"250902"	404.181626	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1225499"	223.107726	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1206756"	112.057501	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"204086"	407.11896	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"643561"	588.19286	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1144888"	226.04506	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"187081"	204.063118	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"627371"	294.600068	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1129424"	113.526168	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1410396"	76.0198706666667	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1442511"	228.086646	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"235122"	209.09614	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1519172"	242.13869	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"421048"	212.050088	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"782771"	302.587038	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1676914"	121.513138	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"261612"	426.163568	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1236507"	245.089668	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1716644"	245.113193	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1181630"	83.3471846666667	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1654438"	250.068588	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"160938"	439.06684	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"598918"	620.14074	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1085617"	257.99294	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"151674"	220.037058	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"589046"	310.574008	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1075747"	129.500108	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1114675"	260.007492	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1347533"	260.095107	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1020443"	264.134276	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1534190"	265.127908	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"998449"	132.570776	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1598424"	266.042528	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1419711"	296.074038	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1153279"	153.084051	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1707204"	313.100585	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1634835"	318.05598	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1573405"	334.02992	"C01536"	"Tyrosine;3-(p-Hydroxyphenyl)alanine;2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"813247"	89.0477	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M"	0
"987875"	70.02931	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"75023"	58.3578573333333	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"518385"	88.040424	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"894214"	28.6752906666667	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"13155"	88.040424	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"453806"	132.564274	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"828328"	43.516574	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"87227"	177.088124	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"531161"	266.135824	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"910419"	88.040424	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"60054"	194.114671	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"500585"	283.162371	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"878511"	105.066971	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"44590"	199.070066	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"480507"	288.117766	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"855027"	110.022366	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1625657"	110.022366	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"101094"	106.028763	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"541747"	150.552613	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"934170"	61.504913	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"278194"	213.064802	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"673895"	302.112502	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1286909"	124.017102	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"21200"	215.044006	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"462947"	304.091706	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"836378"	125.996306	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1563146"	125.996306	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"947750"	134.045894	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"370340"	223.093601	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"360060"	237.109251	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1504884"	148.061551	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"968050"	156.027851	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"119508"	124.017102	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"560893"	168.540952	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1031148"	79.493252	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1254010"	167.966585	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1310264"	170.022572	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1324845"	192.004529	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"913352"	202.033286	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1298446"	238.009964	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1372234"	54.035024	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1397391"	72.045	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"298474"	179.102676	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"691319"	268.150376	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1367022"	90.054976	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"133266"	90.054976	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"578664"	134.578826	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1048190"	45.531126	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"216092"	60.3724093333333	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"655289"	90.054976	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1171592"	30.6898426666667	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"433770"	196.129223	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"794765"	285.176923	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1687814"	107.081523	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"344850"	98.5682495	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"738000"	143.0920995	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1492184"	54.0443995	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"407585"	201.084618	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"767121"	290.132318	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1614492"	112.036918	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"319059"	101.045947	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"714763"	145.569797	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1468583"	56.522097	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1058548"	38.0171566666667	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1264602"	122.081186	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"389739"	217.058558	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"752800"	306.106258	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1554367"	128.010858	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"308869"	109.032917	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"702384"	153.556767	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1457298"	64.509067	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"249911"	220.129226	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1224442"	131.081526	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1205772"	66.044401	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
"200829"	223.06656	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+2Na-H"	44.97116
"642943"	312.11426	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+2Na-H"	44.97116
"1144997"	134.01886	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"186825"	112.036918	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"627481"	156.560768	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1130994"	67.513068	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1413544"	45.3444706666667	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1442622"	136.060446	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"234989"	117.06994	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1518189"	150.11249	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"422251"	120.023888	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"777777"	164.547738	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1676295"	75.500038	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"253089"	242.111168	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1230056"	153.063468	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1715660"	153.086993	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1181376"	52.6717846666667	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1654183"	158.042388	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"161048"	255.01444	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"598419"	344.06214	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1085727"	165.96674	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"151785"	128.010858	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"589156"	172.534708	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1078044"	83.487008	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1115354"	167.981292	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1349708"	168.068907	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1020796"	172.108076	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1533206"	173.101708	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"998559"	86.557676	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1598534"	174.016328	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1419821"	204.047838	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1153389"	107.070951	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1707314"	221.074385	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1635310"	226.02978	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1573151"	242.00372	"C01537"	"Urethane;Ethyl carbamate"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"813357"	685.3256	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M"	0
"986892"	666.30721	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-H2O-H"	-19.01839
"74040"	455.876457333333	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M-3H"	-3.021828
"517860"	684.318324	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M-3H"	-3.021828
"890317"	227.434590666667	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-3H"	-3.021828
"13265"	684.318324	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M-2H"	-2.014552
"453556"	1026.981124	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M-2H"	-2.014552
"829531"	341.655524	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-2H"	-2.014552
"89524"	1369.643924	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M-H"	-1.007276
"531271"	2054.969524	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M-H"	-1.007276
"910045"	684.318324	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-H"	-1.007276
"61745"	1386.670471	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M-2H+NH4"	16.019271
"500453"	2071.996071	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M-2H+NH4"	16.019271
"877771"	701.344871	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-2H+NH4"	16.019271
"43242"	1391.625866	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M-2H+Na"	20.974666
"478430"	2076.951466	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M-2H+Na"	20.974666
"855138"	706.300266	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-2H+Na"	20.974666
"1620662"	706.300266	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Na-2H"	20.974666
"100110"	702.306663	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M-H+Cl"	33.962126
"540762"	1044.969463	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M-H+Cl"	33.962126
"935371"	359.643863	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-H+Cl"	33.962126
"277209"	1405.620602	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+Cl"	34.969402
"670724"	2090.946202	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+Cl"	34.969402
"1286409"	720.295002	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Cl"	34.969402
"30424"	1407.599806	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M-2H+K"	36.948606
"461964"	2092.925406	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M-2H+K"	36.948606
"843047"	722.274206	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-2H+K"	36.948606
"1566536"	722.274206	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+K-2H"	36.948606
"951138"	730.323794	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-H+HCOOH"	44.998194
"371544"	1415.649401	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+HCOOH-H"	44.998201
"359077"	1429.665051	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+Hac-H"	59.013851
"1500982"	744.339451	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Hac-H"	59.013851
"968524"	752.305751	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-H+NaCOOH"	66.980151
"119618"	720.295002	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+2Cl"	69.938804
"562096"	1062.957802	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+2Cl"	69.938804
"1027978"	377.632202	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2Cl"	69.938804
"1254120"	764.244485	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Br"	78.918885
"1312197"	766.300472	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Cl+HCOOH"	80.974872
"1326414"	788.282429	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Cl+NaCOOH"	102.956829
"919659"	798.311186	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M-H+CF3COOH"	112.985586
"1294182"	834.287864	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Cl+CF3COOH"	148.962264
"1372344"	650.312924	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H-2H2O"	-35.012676
"1397501"	668.3229	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H-H2O"	-17.0027
"298529"	1371.658476	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+H"	1.007276
"691301"	2056.984076	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+H"	1.007276
"1366566"	686.332876	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H"	1.007276
"134469"	686.332876	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+2H"	2.014552
"576583"	1028.995676	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+2H"	2.014552
"1052664"	343.670076	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2H"	2.014552
"215838"	457.891009333333	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+3H"	3.021828
"652483"	686.332876	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+3H"	3.021828
"1172795"	229.449142666667	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+3H"	3.021828
"431694"	1388.685023	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+NH4"	18.033823
"793782"	2074.010623	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+NH4"	18.033823
"1687924"	703.359423	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+NH4"	18.033823
"344231"	694.8461495	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+H+NH4"	19.041099
"737138"	1037.5089495	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+H+NH4"	19.041099
"1491930"	352.1833495	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H+NH4"	19.041099
"405508"	1393.640418	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+Na"	22.989218
"763224"	2078.966018	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+Na"	22.989218
"1612417"	708.314818	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Na"	22.989218
"321355"	697.323847	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+H+Na"	23.996494
"714873"	1039.986647	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+H+Na"	23.996494
"1467600"	354.661047	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H+Na"	23.996494
"1057565"	236.776456666667	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2H+Na"	25.00377
"1264712"	718.359086	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+CH3OH+H"	33.033486
"387662"	1409.614358	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+K"	38.963158
"750843"	2094.939958	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+K"	38.963158
"1552896"	724.288758	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+K"	38.963158
"308979"	705.310817	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+H+K"	39.970434
"699213"	1047.973617	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+H+K"	39.970434
"1450847"	362.648017	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H+K"	39.970434
"248197"	1412.685026	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+ACN+H"	42.033826
"1222363"	727.359426	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+ACN+H"	42.033826
"1204788"	364.183351	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+ACN+2H"	43.041102
"198752"	1415.62236	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+2Na-H"	44.97116
"637220"	2100.94796	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+2Na-H"	44.97116
"1144739"	730.29676	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2Na-H"	44.97116
"182924"	708.314818	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+2Na"	45.978436
"622852"	1050.977618	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+2Na"	45.978436
"1128183"	365.652018	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2Na"	45.978436
"1412074"	244.103770666667	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H+2Na"	46.985712
"1445162"	732.338346	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H+HCOOH"	47.012746
"234248"	713.34784	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+3H2O+2H"	56.04448
"1518299"	746.39039	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+IsoProp+H"	61.06479
"423090"	716.301788	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+Na+K"	61.952376
"777887"	1058.964588	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+Na+K"	61.952376
"1675677"	373.638988	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Na+K"	61.952376
"252716"	1434.666968	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+ACN+Na"	64.015768
"1230166"	749.341368	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+ACN+Na"	64.015768
"1715770"	749.364893	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+NH4+HCOOH"	64.039293
"1181849"	251.431084666667	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+3Na"	68.967654
"1653565"	754.320288	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Na+HCOOH"	68.994688
"161157"	1447.57024	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+2K-H"	76.91904
"598533"	2132.89584	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+2K-H"	76.91904
"1087418"	762.24464	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2K-H"	76.91904
"154933"	724.288758	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"2M+2K"	77.926316
"587079"	1066.951558	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"3M+2K"	77.926316
"1073779"	381.625958	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2K"	77.926316
"1112460"	764.259192	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2K+H"	78.933592
"1348846"	764.346807	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+DMSO+H"	79.021207
"1020296"	768.385976	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2ACN+H"	83.060376
"1535503"	769.379608	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+IsoProp+Na+H"	84.054008
"996482"	384.696626	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+2ACN+2H"	84.067652
"1599738"	770.294228	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+K+HCOOH"	84.968628
"1419931"	800.325738	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+H+CF3COOH"	115.000138
"1153499"	405.209901	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+3ACN+2H"	125.094202
"1707424"	817.352285	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+NH4+CF3COOH"	132.026685
"1635418"	822.30768	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+Na+CF3COOH"	136.98208
"1573261"	838.28162	"C01540"	"Viomycin"	"C25H43N13O10"	"685.3256"	"M+K+CF3COOH"	152.95602
"813467"	308.1049	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M"	0
"986275"	289.08651	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-H2O-H"	-19.01839
"75243"	204.395990666667	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M-3H"	-3.021828
"517849"	307.097624	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M-3H"	-3.021828
"891887"	101.694357333333	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-3H"	-3.021828
"13380"	307.097624	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M-2H"	-2.014552
"451846"	461.150074	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M-2H"	-2.014552
"831832"	153.045174	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-2H"	-2.014552
"89633"	615.202524	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M-H"	-1.007276
"534018"	923.307424	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M-H"	-1.007276
"910892"	307.097624	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-H"	-1.007276
"62103"	632.229071	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M-2H+NH4"	16.019271
"500931"	940.333971	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M-2H+NH4"	16.019271
"877761"	324.124171	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-2H+NH4"	16.019271
"44081"	637.184466	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M-2H+Na"	20.974666
"475988"	945.289366	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M-2H+Na"	20.974666
"854153"	329.079566	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-2H+Na"	20.974666
"1623689"	329.079566	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Na-2H"	20.974666
"99125"	325.085963	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M-H+Cl"	33.962126
"541967"	479.138413	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M-H+Cl"	33.962126
"936578"	171.033513	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-H+Cl"	33.962126
"274041"	651.179202	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+Cl"	34.969402
"670835"	959.284102	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+Cl"	34.969402
"1286035"	343.074302	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Cl"	34.969402
"30293"	653.158406	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M-2H+K"	36.948606
"462074"	961.263306	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M-2H+K"	36.948606
"843157"	345.053506	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-2H+K"	36.948606
"1565553"	345.053506	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+K-2H"	36.948606
"951248"	353.103094	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-H+HCOOH"	44.998194
"371654"	661.208001	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+HCOOH-H"	44.998201
"357362"	675.223651	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+Hac-H"	59.013851
"1503278"	367.118751	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Hac-H"	59.013851
"969363"	375.085051	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-H+NaCOOH"	66.980151
"118635"	343.074302	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+2Cl"	69.938804
"565122"	497.126752	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+2Cl"	69.938804
"1031369"	189.021852	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2Cl"	69.938804
"1250950"	387.023785	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Br"	78.918885
"1312307"	389.079772	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Cl+HCOOH"	80.974872
"1325794"	411.061729	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Cl+NaCOOH"	102.956829
"917946"	421.090486	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M-H+CF3COOH"	112.985586
"1297937"	457.067164	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Cl+CF3COOH"	148.962264
"1371723"	273.092224	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H-2H2O"	-35.012676
"1393232"	291.1022	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H-H2O"	-17.0027
"290732"	617.217076	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+H"	1.007276
"691184"	925.321976	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+H"	1.007276
"1365947"	309.112176	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H"	1.007276
"133485"	309.112176	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+2H"	2.014552
"577421"	463.164626	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+2H"	2.014552
"1050235"	155.059726	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2H"	2.014552
"218867"	206.410542666667	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+3H"	3.021828
"655873"	309.112176	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+3H"	3.021828
"1176187"	103.708909333333	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+3H"	3.021828
"436543"	634.243623	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+NH4"	18.033823
"798267"	942.348523	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+NH4"	18.033823
"1690221"	326.138723	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+NH4"	18.033823
"344463"	317.6254495	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+H+NH4"	19.041099
"737855"	471.6778995	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+H+NH4"	19.041099
"1491919"	163.5729995	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H+NH4"	19.041099
"404524"	639.199018	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+Na"	22.989218
"763335"	947.303918	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+Na"	22.989218
"1612527"	331.094118	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Na"	22.989218
"322557"	320.103147	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+H+Na"	23.996494
"714983"	474.155597	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+H+Na"	23.996494
"1470991"	166.050697	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H+Na"	23.996494
"1058768"	111.036223333333	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2H+Na"	25.00377
"1264822"	341.138386	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+CH3OH+H"	33.033486
"386679"	655.172958	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+K"	38.963158
"750953"	963.277858	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+K"	38.963158
"1550819"	347.068058	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+K"	38.963158
"311641"	328.090117	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+H+K"	39.970434
"700416"	482.142567	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+H+K"	39.970434
"1450957"	174.037667	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H+K"	39.970434
"249889"	658.243626	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+ACN+H"	42.033826
"1222837"	350.138726	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+ACN+H"	42.033826
"1207451"	175.573001	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+ACN+2H"	43.041102
"201779"	661.18096	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+2Na-H"	44.97116
"640976"	969.28586	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+2Na-H"	44.97116
"1144855"	353.07606	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2Na-H"	44.97116
"185588"	331.094118	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+2Na"	45.978436
"623692"	485.146568	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+2Na"	45.978436
"1126473"	177.041668	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2Na"	45.978436
"1409996"	118.363537333333	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H+2Na"	46.985712
"1443571"	355.117646	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H+HCOOH"	47.012746
"232536"	336.12714	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+3H2O+2H"	56.04448
"1519138"	369.16969	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+IsoProp+H"	61.06479
"422836"	339.081088	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+Na+K"	61.952376
"777633"	493.133538	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+Na+K"	61.952376
"1676516"	185.028638	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Na+K"	61.952376
"252827"	680.225568	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+ACN+Na"	64.015768
"1230276"	372.120668	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+ACN+Na"	64.015768
"1715151"	372.144193	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+NH4+HCOOH"	64.039293
"1182324"	125.690851333333	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+3Na"	68.967654
"1653311"	377.099588	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Na+HCOOH"	68.994688
"158472"	693.12884	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+2K-H"	76.91904
"598643"	1001.23374	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+2K-H"	76.91904
"1088622"	385.02394	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2K-H"	76.91904
"152005"	347.068058	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"2M+2K"	77.926316
"590469"	501.120508	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"3M+2K"	77.926316
"1073889"	193.015608	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2K"	77.926316
"1114882"	387.038492	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2K+H"	78.933592
"1348956"	387.126107	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+DMSO+H"	79.021207
"1020042"	391.165276	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2ACN+H"	83.060376
"1539019"	392.158908	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+IsoProp+Na+H"	84.054008
"996592"	196.086276	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+2ACN+2H"	84.067652
"1600938"	393.073528	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+K+HCOOH"	84.968628
"1426600"	423.105038	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+H+CF3COOH"	115.000138
"1156889"	216.599551	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+3ACN+2H"	125.094202
"1710814"	440.131585	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+NH4+CF3COOH"	132.026685
"1637717"	445.08698	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+Na+CF3COOH"	136.98208
"1573371"	461.06092	"C01541"	"Warfarin"	"C19H16O4"	"308.1049"	"M+K+CF3COOH"	152.95602
"813577"	108.0575	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M"	0
"988205"	89.03911	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-H2O-H"	-19.01839
"78189"	71.0310573333333	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M-3H"	-3.021828
"516012"	107.050224	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M-3H"	-3.021828
"895038"	35.0118906666667	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-3H"	-3.021828
"13854"	107.050224	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H"	-2.014552
"454509"	161.078974	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H"	-2.014552
"831819"	53.021474	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-2H"	-2.014552
"92783"	215.107724	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M-H"	-1.007276
"532595"	323.165224	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M-H"	-1.007276
"910155"	107.050224	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-H"	-1.007276
"61849"	232.134271	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H+NH4"	16.019271
"502302"	340.191771	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H+NH4"	16.019271
"879215"	124.076771	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-2H+NH4"	16.019271
"46342"	237.089666	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H+Na"	20.974666
"480837"	345.147166	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H+Na"	20.974666
"855359"	129.032166	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-2H+Na"	20.974666
"1622706"	129.032166	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Na-2H"	20.974666
"101422"	125.038563	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M-H+Cl"	33.962126
"540985"	179.067313	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M-H+Cl"	33.962126
"939968"	71.009813	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-H+Cl"	33.962126
"280956"	251.084402	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+Cl"	34.969402
"674106"	359.141902	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+Cl"	34.969402
"1287606"	143.026902	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl"	34.969402
"30038"	253.063606	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M-2H+K"	36.948606
"469839"	361.121106	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M-2H+K"	36.948606
"846187"	145.006106	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-2H+K"	36.948606
"1569924"	145.006106	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+K-2H"	36.948606
"951361"	153.055694	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-H+HCOOH"	44.998194
"376262"	261.113201	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+HCOOH-H"	44.998201
"358929"	275.128851	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+Hac-H"	59.013851
"1500108"	167.071351	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Hac-H"	59.013851
"966557"	175.037651	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-H+NaCOOH"	66.980151
"118745"	143.026902	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+2Cl"	69.938804
"563774"	197.055652	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+2Cl"	69.938804
"1031479"	88.998152	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2Cl"	69.938804
"1252155"	186.976385	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Br"	78.918885
"1311324"	189.032372	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl+HCOOH"	80.974872
"1325540"	211.014329	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl+NaCOOH"	102.956829
"919881"	221.043086	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M-H+CF3COOH"	112.985586
"1294402"	257.019764	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Cl+CF3COOH"	148.962264
"1372564"	73.044824	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H-2H2O"	-35.012676
"1393708"	91.0548	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H-H2O"	-17.0027
"291935"	217.122276	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+H"	1.007276
"691129"	325.179776	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+H"	1.007276
"1363990"	109.064776	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H"	1.007276
"136875"	109.064776	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+2H"	2.014552
"577529"	163.093526	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+2H"	2.014552
"1052133"	55.036026	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2H"	2.014552
"218614"	73.0456093333333	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+3H"	3.021828
"657079"	109.064776	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+3H"	3.021828
"1177716"	37.0264426666667	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+3H"	3.021828
"437017"	234.148823	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+NH4"	18.033823
"798377"	342.206323	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+NH4"	18.033823
"1691427"	126.091323	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+NH4"	18.033823
"342991"	117.5780495	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+H+NH4"	19.041099
"734316"	171.6067995	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+H+NH4"	19.041099
"1489961"	63.5492995	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H+NH4"	19.041099
"402448"	239.104218	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+Na"	22.989218
"763442"	347.161718	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+Na"	22.989218
"1612633"	131.046718	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Na"	22.989218
"321580"	120.055747	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+H+Na"	23.996494
"711815"	174.084497	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+H+Na"	23.996494
"1471102"	66.026997	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H+Na"	23.996494
"1059973"	44.3537566666667	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2H+Na"	25.00377
"1263839"	141.090986	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+CH3OH+H"	33.033486
"388977"	255.078158	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+K"	38.963158
"750701"	363.135658	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+K"	38.963158
"1553485"	147.020658	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+K"	38.963158
"313334"	128.042717	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+H+K"	39.970434
"699434"	182.071467	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+H+K"	39.970434
"1460428"	74.013967	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H+K"	39.970434
"250486"	258.148826	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+ACN+H"	42.033826
"1224410"	150.091326	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+ACN+H"	42.033826
"1207561"	75.549301	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+ACN+2H"	43.041102
"203230"	261.08616	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+2Na-H"	44.97116
"643640"	369.14366	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+2Na-H"	44.97116
"1145327"	153.02866	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2Na-H"	44.97116
"186792"	131.046718	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+2Na"	45.978436
"625626"	185.075468	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+2Na"	45.978436
"1128773"	77.017968	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2Na"	45.978436
"1411565"	51.6810706666667	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H+2Na"	46.985712
"1441494"	155.070246	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H+HCOOH"	47.012746
"234108"	136.07974	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+3H2O+2H"	56.04448
"1521072"	169.12229	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+IsoProp+H"	61.06479
"420030"	139.033688	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+Na+K"	61.952376
"782119"	193.062438	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+Na+K"	61.952376
"1668972"	85.004938	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Na+K"	61.952376
"256583"	280.130768	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+ACN+Na"	64.015768
"1232569"	172.073268	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+ACN+Na"	64.015768
"1720361"	172.096793	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+NH4+HCOOH"	64.039293
"1182435"	59.0083846666667	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+3Na"	68.967654
"1654514"	177.052188	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Na+HCOOH"	68.994688
"162470"	293.03404	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+2K-H"	76.91904
"605311"	401.09154	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+2K-H"	76.91904
"1092010"	184.97654	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2K-H"	76.91904
"145546"	147.020658	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"2M+2K"	77.926316
"584016"	201.049408	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"3M+2K"	77.926316
"1069741"	92.991908	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2K"	77.926316
"1101862"	186.991092	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2K+H"	78.933592
"1345784"	187.078707	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+DMSO+H"	79.021207
"1021208"	191.117876	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2ACN+H"	83.060376
"1537908"	192.111508	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+IsoProp+Na+H"	84.054008
"999983"	96.062576	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+2ACN+2H"	84.067652
"1601049"	193.026128	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+K+HCOOH"	84.968628
"1425618"	223.057638	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+H+CF3COOH"	115.000138
"1162509"	116.575851	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+3ACN+2H"	125.094202
"1709832"	240.084185	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+NH4+CF3COOH"	132.026685
"1640014"	245.03958	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+Na+CF3COOH"	136.98208
"1573481"	261.01352	"C01542"	"o-Cresol;2-Hydroxytoluene;o-Methylphenol"	"C7H8O"	"108.0575"	"M+K+CF3COOH"	152.95602
"813687"	128.1201	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M"	0
"987222"	109.10171	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-H2O-H"	-19.01839
"75463"	84.406124	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M-3H"	-3.021828
"518186"	127.112824	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M-3H"	-3.021828
"893200"	41.699424	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-3H"	-3.021828
"15055"	127.112824	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M-2H"	-2.014552
"455103"	191.172874	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M-2H"	-2.014552
"830956"	63.052774	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-2H"	-2.014552
"90949"	255.232924	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M-H"	-1.007276
"534164"	383.353024	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M-H"	-1.007276
"911187"	127.112824	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-H"	-1.007276
"61590"	272.259471	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M-2H+NH4"	16.019271
"502740"	400.379571	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M-2H+NH4"	16.019271
"879559"	144.139371	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-2H+NH4"	16.019271
"44666"	277.214866	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M-2H+Na"	20.974666
"479853"	405.334966	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M-2H+Na"	20.974666
"855469"	149.094766	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-2H+Na"	20.974666
"1621358"	149.094766	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Na-2H"	20.974666
"98252"	145.101163	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M-H+Cl"	33.962126
"541095"	209.161213	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M-H+Cl"	33.962126
"941173"	81.041113	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-H+Cl"	33.962126
"274262"	291.209602	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+Cl"	34.969402
"674335"	419.329702	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+Cl"	34.969402
"1288119"	163.089502	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Cl"	34.969402
"30390"	293.188806	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M-2H+K"	36.948606
"466669"	421.308906	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M-2H+K"	36.948606
"847389"	165.068706	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-2H+K"	36.948606
"1571125"	165.068706	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+K-2H"	36.948606
"952564"	173.118294	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-H+HCOOH"	44.998194
"377067"	301.238401	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+HCOOH-H"	44.998201
"357581"	315.254051	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+Hac-H"	59.013851
"1498031"	187.133951	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Hac-H"	59.013851
"966667"	195.100251	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-H+NaCOOH"	66.980151
"118854"	163.089502	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+2Cl"	69.938804
"559509"	227.149552	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+2Cl"	69.938804
"1029402"	99.029452	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2Cl"	69.938804
"1253358"	207.038985	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Br"	78.918885
"1311434"	209.094972	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Cl+HCOOH"	80.974872
"1325650"	231.076929	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Cl+NaCOOH"	102.956829
"919988"	241.105686	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M-H+CF3COOH"	112.985586
"1300345"	277.082364	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Cl+CF3COOH"	148.962264
"1374859"	93.107424	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H-2H2O"	-35.012676
"1391264"	111.1174	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H-H2O"	-17.0027
"289856"	257.247476	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+H"	1.007276
"690668"	385.367576	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+H"	1.007276
"1364465"	129.127376	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H"	1.007276
"135893"	129.127376	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+2H"	2.014552
"576183"	193.187426	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+2H"	2.014552
"1047903"	65.067326	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2H"	2.014552
"218721"	86.420676	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+3H"	3.021828
"656824"	129.127376	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+3H"	3.021828
"1176044"	43.713976	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+3H"	3.021828
"438581"	274.274023	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+NH4"	18.033823
"798482"	402.394123	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+NH4"	18.033823
"1692631"	146.153923	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+NH4"	18.033823
"343101"	137.6406495	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+H+NH4"	19.041099
"734426"	201.7006995	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+H+NH4"	19.041099
"1488249"	73.5805995	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H+NH4"	19.041099
"401465"	279.229418	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+Na"	22.989218
"764646"	407.349518	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+Na"	22.989218
"1612743"	151.109318	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Na"	22.989218
"320596"	140.118347	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+H+Na"	23.996494
"715206"	204.178397	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+H+Na"	23.996494
"1470120"	76.058297	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H+Na"	23.996494
"1061178"	51.04129	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2H+Na"	25.00377
"1265043"	161.153586	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+CH3OH+H"	33.033486
"387993"	295.203358	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+K"	38.963158
"753363"	423.323458	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+K"	38.963158
"1555058"	167.083258	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+K"	38.963158
"313932"	148.105317	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+H+K"	39.970434
"702824"	212.165367	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+H+K"	39.970434
"1460659"	84.045267	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H+K"	39.970434
"250719"	298.274026	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+ACN+H"	42.033826
"1224644"	170.153926	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+ACN+H"	42.033826
"1207306"	85.580601	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+ACN+2H"	43.041102
"202850"	301.21136	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+2Na-H"	44.97116
"641198"	429.33146	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+2Na-H"	44.97116
"1145069"	173.09126	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2Na-H"	44.97116
"186536"	151.109318	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+2Na"	45.978436
"625736"	215.169368	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+2Na"	45.978436
"1128880"	87.049268	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2Na"	45.978436
"1410581"	58.368604	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H+2Na"	46.985712
"1440874"	175.132846	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H+HCOOH"	47.012746
"231299"	156.14234	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+3H2O+2H"	56.04448
"1519359"	189.18489	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+IsoProp+H"	61.06479
"420142"	159.096288	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+Na+K"	61.952376
"781502"	223.156338	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+Na+K"	61.952376
"1669082"	95.036238	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Na+K"	61.952376
"256693"	320.255968	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+ACN+Na"	64.015768
"1232679"	192.135868	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+ACN+Na"	64.015768
"1719379"	192.159393	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+NH4+HCOOH"	64.039293
"1183638"	65.695918	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+3Na"	68.967654
"1654624"	197.114788	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Na+HCOOH"	68.994688
"162581"	333.15924	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+2K-H"	76.91904
"601048"	461.27934	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+2K-H"	76.91904
"1089933"	205.03914	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2K-H"	76.91904
"144563"	167.083258	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"2M+2K"	77.926316
"584127"	231.143308	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"3M+2K"	77.926316
"1073012"	103.023208	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2K"	77.926316
"1101242"	207.053692	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2K+H"	78.933592
"1345894"	207.141307	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+DMSO+H"	79.021207
"1020627"	211.180476	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2ACN+H"	83.060376
"1538018"	212.174108	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+IsoProp+Na+H"	84.054008
"1000093"	106.093876	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+2ACN+2H"	84.067652
"1601159"	213.088728	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+K+HCOOH"	84.968628
"1425728"	243.120238	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+H+CF3COOH"	115.000138
"1162576"	126.607151	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+3ACN+2H"	125.094202
"1709942"	260.146785	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+NH4+CF3COOH"	132.026685
"1641217"	265.10218	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+Na+CF3COOH"	136.98208
"1573591"	281.07612	"C01545"	"1-Octanal;1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde"	"C8H16O"	"128.1201"	"M+K+CF3COOH"	152.95602
"816352"	112.016	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M"	0
"988425"	92.99761	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-H2O-H"	-19.01839
"75573"	73.6700573333333	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M-3H"	-3.021828
"516961"	111.008724	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M-3H"	-3.021828
"894404"	36.3313906666667	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-3H"	-3.021828
"14074"	111.008724	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M-2H"	-2.014552
"452540"	167.016724	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M-2H"	-2.014552
"831801"	55.000724	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-2H"	-2.014552
"92153"	223.024724	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M-H"	-1.007276
"533542"	335.040724	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M-H"	-1.007276
"911299"	111.008724	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-H"	-1.007276
"62188"	240.051271	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M-2H+NH4"	16.019271
"502727"	352.067271	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M-2H+NH4"	16.019271
"879549"	128.035271	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-2H+NH4"	16.019271
"45020"	245.006666	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M-2H+Na"	20.974666
"481059"	357.022666	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M-2H+Na"	20.974666
"857767"	132.990666	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-2H+Na"	20.974666
"1625113"	132.990666	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Na-2H"	20.974666
"99456"	128.997063	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M-H+Cl"	33.962126
"541205"	185.005063	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M-H+Cl"	33.962126
"940188"	72.989063	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-H+Cl"	33.962126
"277652"	259.001402	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+Cl"	34.969402
"674447"	371.017402	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+Cl"	34.969402
"1287217"	146.985402	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Cl"	34.969402
"29774"	260.980606	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M-2H+K"	36.948606
"466779"	372.996606	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M-2H+K"	36.948606
"847864"	148.964606	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-2H+K"	36.948606
"1570628"	148.964606	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+K-2H"	36.948606
"953767"	157.014194	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-H+HCOOH"	44.998194
"376808"	269.030201	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+HCOOH-H"	44.998201
"357691"	283.045851	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+Hac-H"	59.013851
"1494863"	171.029851	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Hac-H"	59.013851
"962403"	178.996151	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-H+NaCOOH"	66.980151
"112404"	146.985402	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+2Cl"	69.938804
"559620"	202.993402	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+2Cl"	69.938804
"1027325"	90.977402	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2Cl"	69.938804
"1253834"	190.934885	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Br"	78.918885
"1312637"	192.990872	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Cl+HCOOH"	80.974872
"1329043"	214.972829	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Cl+NaCOOH"	102.956829
"922653"	225.001586	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M-H+CF3COOH"	112.985586
"1300455"	260.978264	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Cl+CF3COOH"	148.962264
"1376062"	77.003324	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H-2H2O"	-35.012676
"1388092"	95.0133	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H-H2O"	-17.0027
"284861"	225.039276	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+H"	1.007276
"690902"	337.055276	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+H"	1.007276
"1365669"	113.023276	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H"	1.007276
"131628"	113.023276	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+2H"	2.014552
"579574"	169.031276	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+2H"	2.014552
"1051780"	57.015276	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2H"	2.014552
"218101"	75.6846093333333	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+3H"	3.021828
"657298"	113.023276	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+3H"	3.021828
"1173237"	38.3459426666667	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+3H"	3.021828
"438691"	242.065823	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+NH4"	18.033823
"796405"	354.081823	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+NH4"	18.033823
"1692740"	130.049823	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+NH4"	18.033823
"342118"	121.5365495	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+H+NH4"	19.041099
"730163"	177.5445495	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+H+NH4"	19.041099
"1487266"	65.5285495	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H+NH4"	19.041099
"402667"	247.021218	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+Na"	22.989218
"764755"	359.037218	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+Na"	22.989218
"1612853"	135.005218	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Na"	22.989218
"320706"	124.014247	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+H+Na"	23.996494
"718596"	180.022247	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+H+Na"	23.996494
"1471324"	68.006247	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H+Na"	23.996494
"1061290"	45.6732566666667	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2H+Na"	25.00377
"1264060"	145.049486	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+CH3OH+H"	33.033486
"389197"	262.995158	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+K"	38.963158
"750920"	375.011158	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+K"	38.963158
"1552973"	150.979158	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+K"	38.963158
"312703"	132.001217	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+H+K"	39.970434
"706582"	188.009217	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+H+K"	39.970434
"1459309"	75.993217	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H+K"	39.970434
"248641"	266.065826	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+ACN+H"	42.033826
"1223903"	154.049826	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+ACN+H"	42.033826
"1206323"	77.528551	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+ACN+2H"	43.041102
"199925"	269.00316	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+2Na-H"	44.97116
"640215"	381.01916	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+2Na-H"	44.97116
"1144815"	156.98716	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2Na-H"	44.97116
"185188"	135.005218	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+2Na"	45.978436
"625481"	191.013218	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+2Na"	45.978436
"1130572"	78.997218	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2Na"	45.978436
"1409962"	53.0005706666667	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H+2Na"	46.985712
"1440985"	159.028746	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H+HCOOH"	47.012746
"231773"	140.03824	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+3H2O+2H"	56.04448
"1520199"	173.08079	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+IsoProp+H"	61.06479
"420616"	142.992188	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+Na+K"	61.952376
"783068"	199.000188	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+Na+K"	61.952376
"1676483"	86.984188	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Na+K"	61.952376
"255711"	288.047768	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+ACN+Na"	64.015768
"1230606"	176.031768	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+ACN+Na"	64.015768
"1718397"	176.055293	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+NH4+HCOOH"	64.039293
"1184843"	60.3278846666667	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+3Na"	68.967654
"1654736"	181.010688	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Na+HCOOH"	68.994688
"162691"	300.95104	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+2K-H"	76.91904
"603346"	412.96704	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+2K-H"	76.91904
"1091139"	188.93504	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2K-H"	76.91904
"147953"	150.979158	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"2M+2K"	77.926316
"584238"	206.987158	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"3M+2K"	77.926316
"1070935"	94.971158	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2K"	77.926316
"1103054"	190.949592	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2K+H"	78.933592
"1348192"	191.037207	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+DMSO+H"	79.021207
"1021320"	195.076376	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2ACN+H"	83.060376
"1538128"	196.070008	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+IsoProp+Na+H"	84.054008
"1002390"	98.041826	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+2ACN+2H"	84.067652
"1601269"	196.984628	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+K+HCOOH"	84.968628
"1428756"	227.016138	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+H+CF3COOH"	115.000138
"1161840"	118.555101	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+3ACN+2H"	125.094202
"1711512"	244.042685	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+NH4+CF3COOH"	132.026685
"1639143"	248.99808	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+Na+CF3COOH"	136.98208
"1573701"	264.97202	"C01546"	"2-Furoate;2-Furoic acid;2-Furancarboxylic acid;Pyromucic acid"	"C5H4O3"	"112.016"	"M+K+CF3COOH"	152.95602
"813908"	26.0157	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M"	0
"980880"	6.99731	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-H2O-H"	-19.01839
"76421"	16.336524	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M-3H"	-3.021828
"514161"	25.008424	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M-3H"	-3.021828
"895331"	7.664624	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-3H"	-3.021828
"14793"	25.008424	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M-2H"	-2.014552
"454961"	38.016274	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M-2H"	-2.014552
"831906"	12.000574	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-2H"	-2.014552
"90074"	51.024124	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M-H"	-1.007276
"527447"	77.039824	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M-H"	-1.007276
"908407"	25.008424	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-H"	-1.007276
"62301"	68.050671	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M-2H+NH4"	16.019271
"498819"	94.066371	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M-2H+NH4"	16.019271
"878200"	42.034971	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-2H+NH4"	16.019271
"40516"	73.006066	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M-2H+Na"	20.974666
"481169"	99.021766	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M-2H+Na"	20.974666
"854958"	46.990366	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-2H+Na"	20.974666
"1620850"	46.990366	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Na-2H"	20.974666
"97379"	42.996763	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M-H+Cl"	33.962126
"538033"	56.004613	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M-H+Cl"	33.962126
"929361"	29.988913	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-H+Cl"	33.962126
"282258"	87.000802	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+Cl"	34.969402
"671277"	113.016502	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+Cl"	34.969402
"1284773"	60.985102	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Cl"	34.969402
"31374"	88.980006	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M-2H+K"	36.948606
"469807"	114.995706	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M-2H+K"	36.948606
"845786"	62.964306	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-2H+K"	36.948606
"1571061"	62.964306	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+K-2H"	36.948606
"951691"	71.013894	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-H+HCOOH"	44.998194
"368816"	97.029601	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+HCOOH-H"	44.998201
"350515"	111.045251	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+Hac-H"	59.013851
"1497159"	85.029551	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Hac-H"	59.013851
"963607"	92.995851	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-H+NaCOOH"	66.980151
"122358"	60.985102	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+2Cl"	69.938804
"555356"	73.992952	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+2Cl"	69.938804
"1032548"	47.977252	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2Cl"	69.938804
"1247019"	104.934585	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Br"	78.918885
"1312748"	106.990572	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Cl+HCOOH"	80.974872
"1329151"	128.972529	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Cl+NaCOOH"	102.956829
"921302"	139.001286	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M-H+CF3COOH"	112.985586
"1295824"	174.977964	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Cl+CF3COOH"	148.962264
"1373986"	-8.996976	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H-2H2O"	-35.012676
"1393672"	9.013	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H-H2O"	-17.0027
"295186"	53.038676	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+H"	1.007276
"690768"	79.054376	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+H"	1.007276
"1365414"	27.022976	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H"	1.007276
"139761"	27.022976	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+2H"	2.014552
"579688"	40.030826	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+2H"	2.014552
"1050311"	14.015126	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2H"	2.014552
"217482"	18.351076	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+3H"	3.021828
"656679"	27.022976	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+3H"	3.021828
"1176627"	9.679176	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+3H"	3.021828
"436981"	70.065223	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+NH4"	18.033823
"794332"	96.080923	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+NH4"	18.033823
"1691766"	44.049523	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+NH4"	18.033823
"338950"	35.5362495	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+H+NH4"	19.041099
"735016"	48.5440995	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+H+NH4"	19.041099
"1484098"	22.5283995	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H+NH4"	19.041099
"399495"	75.020618	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+Na"	22.989218
"759396"	101.036318	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+Na"	22.989218
"1606407"	49.004918	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Na"	22.989218
"319724"	38.013947	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+H+Na"	23.996494
"715424"	51.021797	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+H+Na"	23.996494
"1468880"	25.006097	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H+Na"	23.996494
"1061397"	17.00649	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2H+Na"	25.00377
"1266355"	59.049186	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+CH3OH+H"	33.033486
"383838"	90.994558	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+K"	38.963158
"748115"	117.010258	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+K"	38.963158
"1549073"	64.978858	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+K"	38.963158
"312082"	46.000917	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+H+K"	39.970434
"701952"	59.008767	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+H+K"	39.970434
"1456865"	32.993067	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H+K"	39.970434
"246563"	94.065226	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+ACN+H"	42.033826
"1217083"	68.049526	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+ACN+H"	42.033826
"1205337"	34.528401	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+ACN+2H"	43.041102
"196026"	97.00256	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+2Na-H"	44.97116
"638866"	123.01826	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+2Na-H"	44.97116
"1143465"	70.98686	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2Na-H"	44.97116
"186030"	49.004918	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+2Na"	45.978436
"623770"	62.012768	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+2Na"	45.978436
"1127642"	35.997068	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2Na"	45.978436
"1406791"	24.333804	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H+2Na"	46.985712
"1436720"	73.028446	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H+HCOOH"	47.012746
"230789"	54.03794	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+3H2O+2H"	56.04448
"1518852"	87.08049	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+IsoProp+H"	61.06479
"422183"	56.991888	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+Na+K"	61.952376
"780628"	69.999738	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+Na+K"	61.952376
"1678416"	43.984038	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Na+K"	61.952376
"259102"	116.047168	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+ACN+Na"	64.015768
"1231809"	90.031468	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+ACN+Na"	64.015768
"1716685"	90.054993	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+NH4+HCOOH"	64.039293
"1183861"	31.661118	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+3Na"	68.967654
"1655941"	95.010388	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Na+HCOOH"	68.994688
"162803"	128.95044	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+2K-H"	76.91904
"602363"	154.96614	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+2K-H"	76.91904
"1087603"	102.93474	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2K-H"	76.91904
"153539"	64.978858	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"2M+2K"	77.926316
"588725"	77.986708	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"3M+2K"	77.926316
"1080893"	51.971008	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2K"	77.926316
"1113740"	104.949292	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2K+H"	78.933592
"1349396"	105.036907	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+DMSO+H"	79.021207
"1020967"	109.076076	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2ACN+H"	83.060376
"1537147"	110.069708	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+IsoProp+Na+H"	84.054008
"1005344"	55.041676	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+2ACN+2H"	84.067652
"1601747"	110.984328	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+K+HCOOH"	84.968628
"1427040"	141.015838	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+H+CF3COOH"	115.000138
"1154047"	75.554951	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+3ACN+2H"	125.094202
"1702509"	158.042385	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+NH4+CF3COOH"	132.026685
"1639254"	162.99778	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+Na+CF3COOH"	136.98208
"1571307"	178.97172	"C01548"	"Acetylene;Ethyne"	"C2H2"	"26.0157"	"M+K+CF3COOH"	152.95602
"812925"	267.1219	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M"	0
"980990"	248.10351	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-H2O-H"	-19.01839
"76889"	177.073990666667	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M-3H"	-3.021828
"516458"	266.114624	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M-3H"	-3.021828
"893165"	88.0333573333333	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-3H"	-3.021828
"12834"	266.114624	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M-2H"	-2.014552
"452761"	399.675574	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M-2H"	-2.014552
"830194"	132.553674	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-2H"	-2.014552
"87998"	533.236524	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M-H"	-1.007276
"526464"	800.358424	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M-H"	-1.007276
"905358"	266.114624	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-H"	-1.007276
"57545"	550.263071	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M-2H+NH4"	16.019271
"497107"	817.384971	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M-2H+NH4"	16.019271
"876000"	283.141171	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-2H+NH4"	16.019271
"37345"	555.218466	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M-2H+Na"	20.974666
"476904"	822.340366	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M-2H+Na"	20.974666
"853610"	288.096566	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-2H+Na"	20.974666
"1620958"	288.096566	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Na-2H"	20.974666
"94730"	284.102963	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M-H+Cl"	33.962126
"537050"	417.663913	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M-H+Cl"	33.962126
"927361"	150.542013	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-H+Cl"	33.962126
"267661"	569.213202	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+Cl"	34.969402
"663000"	836.335102	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+Cl"	34.969402
"1273573"	302.091302	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Cl"	34.969402
"15773"	571.192406	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M-2H+K"	36.948606
"461532"	838.314306	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M-2H+K"	36.948606
"840427"	304.070506	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-2H+K"	36.948606
"1561729"	304.070506	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+K-2H"	36.948606
"948519"	312.120094	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-H+HCOOH"	44.998194
"368926"	579.242001	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+HCOOH-H"	44.998201
"348073"	593.257651	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+Hac-H"	59.013851
"1496174"	326.135751	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Hac-H"	59.013851
"959704"	334.102051	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-H+NaCOOH"	66.980151
"115907"	302.091302	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+2Cl"	69.938804
"553280"	435.652252	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+2Cl"	69.938804
"1033385"	168.530352	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2Cl"	69.938804
"1243119"	346.040785	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Br"	78.918885
"1309578"	348.096772	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Cl+HCOOH"	80.974872
"1329261"	370.078729	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Cl+NaCOOH"	102.956829
"918131"	380.107486	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M-H+CF3COOH"	112.985586
"1299213"	416.084164	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Cl+CF3COOH"	148.962264
"1375189"	232.109224	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H-2H2O"	-35.012676
"1394875"	250.1192	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H-H2O"	-17.0027
"293106"	535.251076	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+H"	1.007276
"685893"	802.372976	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+H"	1.007276
"1364795"	268.129176	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H"	1.007276
"138778"	268.129176	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+2H"	2.014552
"579677"	401.690126	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+2H"	2.014552
"1050664"	134.568226	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2H"	2.014552
"216865"	179.088542666667	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+3H"	3.021828
"656427"	268.129176	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+3H"	3.021828
"1176493"	90.0479093333333	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+3H"	3.021828
"437091"	552.277623	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+NH4"	18.033823
"795535"	819.399523	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+NH4"	18.033823
"1692969"	285.155723	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+NH4"	18.033823
"340882"	276.6424495	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+H+NH4"	19.041099
"734761"	410.2033995	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+H+NH4"	19.041099
"1484208"	143.0814995	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H+NH4"	19.041099
"399605"	557.233018	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+Na"	22.989218
"759506"	824.354918	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+Na"	22.989218
"1606881"	290.111118	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Na"	22.989218
"319834"	279.120147	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+H+Na"	23.996494
"711161"	412.681097	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+H+Na"	23.996494
"1463157"	145.559197	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H+Na"	23.996494
"1054945"	97.3752233333333	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2H+Na"	25.00377
"1257352"	300.155386	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+CH3OH+H"	33.033486
"381762"	573.206958	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+K"	38.963158
"743852"	840.328858	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+K"	38.963158
"1548091"	306.085058	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+K"	38.963158
"303080"	287.107117	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+H+K"	39.970434
"699874"	420.668067	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+H+K"	39.970434
"1453695"	153.546167	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H+K"	39.970434
"244487"	576.277626	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+ACN+H"	42.033826
"1216101"	309.155726	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+ACN+H"	42.033826
"1202168"	155.081501	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+ACN+2H"	43.041102
"196136"	579.21496	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+2Na-H"	44.97116
"636789"	846.33686	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+2Na-H"	44.97116
"1141387"	312.09306	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2Na-H"	44.97116
"182496"	290.111118	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+2Na"	45.978436
"623517"	423.672068	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+2Na"	45.978436
"1124469"	156.550168	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2Na"	45.978436
"1406535"	104.702537333333	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H+2Na"	46.985712
"1434642"	314.134646	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H+HCOOH"	47.012746
"226525"	295.14414	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+3H2O+2H"	56.04448
"1519689"	328.18669	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+IsoProp+H"	61.06479
"419742"	298.098088	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+Na+K"	61.952376
"778547"	431.659038	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+Na+K"	61.952376
"1676703"	164.537138	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Na+K"	61.952376
"262494"	598.259568	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+ACN+Na"	64.015768
"1231920"	331.137668	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+ACN+Na"	64.015768
"1717526"	331.161193	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+NH4+HCOOH"	64.039293
"1181785"	112.029851333333	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+3Na"	68.967654
"1652769"	336.116588	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Na+HCOOH"	68.994688
"158537"	611.16284	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+2K-H"	76.91904
"598459"	878.28474	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+2K-H"	76.91904
"1084916"	344.04094	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2K-H"	76.91904
"151462"	306.085058	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"2M+2K"	77.926316
"588835"	439.646008	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"3M+2K"	77.926316
"1077723"	172.524108	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2K"	77.926316
"1110934"	346.055492	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2K+H"	78.933592
"1348412"	346.143107	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+DMSO+H"	79.021207
"1016943"	350.182276	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2ACN+H"	83.060376
"1531790"	351.175908	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+IsoProp+Na+H"	84.054008
"1004679"	175.594776	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+2ACN+2H"	84.067652
"1602545"	352.090528	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+K+HCOOH"	84.968628
"1427150"	382.122038	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+H+CF3COOH"	115.000138
"1156344"	196.108051	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+3ACN+2H"	125.094202
"1701526"	399.148585	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+NH4+CF3COOH"	132.026685
"1636084"	404.10398	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+Na+CF3COOH"	136.98208
"1571409"	420.07792	"C01550"	"Agaritine"	"C12H17N3O4"	"267.1219"	"M+K+CF3COOH"	152.95602
"813035"	158.044	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M"	0
"984380"	139.02561	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-H2O-H"	-19.01839
"75906"	104.355390666667	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M-3H"	-3.021828
"517297"	157.036724	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M-3H"	-3.021828
"894005"	51.6740573333333	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-3H"	-3.021828
"14037"	157.036724	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M-2H"	-2.014552
"453599"	236.058724	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M-2H"	-2.014552
"830668"	78.014724	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-2H"	-2.014552
"88108"	315.080724	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M-H"	-1.007276
"527667"	473.124724	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M-H"	-1.007276
"908628"	157.036724	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-H"	-1.007276
"59842"	332.107271	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M-2H+NH4"	16.019271
"500133"	490.151271	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M-2H+NH4"	16.019271
"875745"	174.063271	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-2H+NH4"	16.019271
"39640"	337.062666	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M-2H+Na"	20.974666
"477014"	495.106666	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M-2H+Na"	20.974666
"851167"	179.018666	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-2H+Na"	20.974666
"1623251"	179.018666	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Na-2H"	20.974666
"95287"	175.025063	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M-H+Cl"	33.962126
"534964"	254.047063	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M-H+Cl"	33.962126
"927876"	96.003063	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-H+Cl"	33.962126
"267886"	351.057402	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+Cl"	34.969402
"662381"	509.101402	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+Cl"	34.969402
"1274295"	193.013402	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Cl"	34.969402
"18800"	353.036606	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M-2H+K"	36.948606
"460548"	511.080606	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M-2H+K"	36.948606
"840537"	194.992606	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-2H+K"	36.948606
"1561839"	194.992606	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+K-2H"	36.948606
"950816"	203.042194	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-H+HCOOH"	44.998194
"369036"	361.086201	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+HCOOH-H"	44.998201
"350735"	375.101851	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+Hac-H"	59.013851
"1495189"	217.057851	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Hac-H"	59.013851
"959935"	225.024151	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-H+NaCOOH"	66.980151
"114558"	193.013402	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+2Cl"	69.938804
"553024"	272.035402	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+2Cl"	69.938804
"1033129"	113.991402	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2Cl"	69.938804
"1242863"	236.962885	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Br"	78.918885
"1309688"	239.018872	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Cl+HCOOH"	80.974872
"1329371"	261.000829	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Cl+NaCOOH"	102.956829
"918241"	271.029586	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M-H+CF3COOH"	112.985586
"1299323"	307.006264	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Cl+CF3COOH"	148.962264
"1375299"	123.031324	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H-2H2O"	-35.012676
"1394985"	141.0413	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H-H2O"	-17.0027
"295402"	317.095276	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+H"	1.007276
"687824"	475.139276	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+H"	1.007276
"1361988"	159.051276	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H"	1.007276
"139252"	159.051276	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+2H"	2.014552
"578450"	238.073276	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+2H"	2.014552
"1049803"	80.029276	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2H"	2.014552
"218429"	106.369942666667	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+3H"	3.021828
"657872"	159.051276	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+3H"	3.021828
"1177695"	53.6886093333333	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+3H"	3.021828
"436836"	334.121823	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+NH4"	18.033823
"795645"	492.165823	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+NH4"	18.033823
"1695266"	176.077823	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+NH4"	18.033823
"342449"	167.5645495	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+H+NH4"	19.041099
"734872"	246.5865495	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+H+NH4"	19.041099
"1485411"	88.5425495	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H+NH4"	19.041099
"400809"	339.077218	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+Na"	22.989218
"759617"	497.121218	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+Na"	22.989218
"1608084"	181.033218	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Na"	22.989218
"319944"	170.042247	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+H+Na"	23.996494
"711271"	249.064247	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+H+Na"	23.996494
"1463631"	91.020247	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H+Na"	23.996494
"1056148"	61.0159233333333	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2H+Na"	25.00377
"1260743"	191.077486	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+CH3OH+H"	33.033486
"380779"	355.051158	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+K"	38.963158
"745055"	513.095158	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+K"	38.963158
"1546014"	197.007158	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+K"	38.963158
"301003"	178.029217	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+H+K"	39.970434
"696704"	257.051217	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+H+K"	39.970434
"1451618"	99.007217	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H+K"	39.970434
"243503"	358.121826	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+ACN+H"	42.033826
"1217303"	200.077826	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+ACN+H"	42.033826
"1204465"	100.542551	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+ACN+2H"	43.041102
"198433"	361.05916	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+2Na-H"	44.97116
"637993"	519.10316	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+2Na-H"	44.97116
"1141498"	203.01516	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2Na-H"	44.97116
"182606"	181.033218	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+2Na"	45.978436
"623990"	260.055218	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+2Na"	45.978436
"1125674"	102.011218	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2Na"	45.978436
"1407011"	68.3432373333333	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H+2Na"	46.985712
"1438032"	205.056746	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H+HCOOH"	47.012746
"229915"	186.06624	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+3H2O+2H"	56.04448
"1519071"	219.10879	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+IsoProp+H"	61.06479
"419852"	189.020188	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+Na+K"	61.952376
"778657"	268.042188	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+Na+K"	61.952376
"1674991"	109.998188	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Na+K"	61.952376
"259323"	380.103768	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+ACN+Na"	64.015768
"1229843"	222.059768	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+ACN+Na"	64.015768
"1718730"	222.083293	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+NH4+HCOOH"	64.039293
"1181895"	75.6705513333333	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+3Na"	68.967654
"1653972"	227.038688	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Na+HCOOH"	68.994688
"160833"	393.00704	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+2K-H"	76.91904
"597841"	551.05104	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+2K-H"	76.91904
"1085269"	234.96304	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2K-H"	76.91904
"151572"	197.007158	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"2M+2K"	77.926316
"588945"	276.029158	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"3M+2K"	77.926316
"1077833"	117.985158	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2K"	77.926316
"1111044"	236.977592	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2K+H"	78.933592
"1347429"	237.065207	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+DMSO+H"	79.021207
"1018146"	241.104376	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2ACN+H"	83.060376
"1531900"	242.098008	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+IsoProp+Na+H"	84.054008
"1001630"	121.055826	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+2ACN+2H"	84.067652
"1598319"	243.012628	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+K+HCOOH"	84.968628
"1429084"	273.044138	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+H+CF3COOH"	115.000138
"1153174"	141.569101	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+3ACN+2H"	125.094202
"1701636"	290.070685	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+NH4+CF3COOH"	132.026685
"1636194"	295.02608	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+Na+CF3COOH"	136.98208
"1571353"	311.00002	"C01551"	"Allantoin;5-Ureidohydantoin;Glyoxyldiureide"	"C4H6N4O3"	"158.044"	"M+K+CF3COOH"	152.95602
"813145"	474.269	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M"	0
"984490"	455.25061	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-H2O-H"	-19.01839
"76017"	315.172057333333	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M-3H"	-3.021828
"517730"	473.261724	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M-3H"	-3.021828
"895130"	157.082390666667	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-3H"	-3.021828
"13057"	473.261724	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M-2H"	-2.014552
"452981"	710.396224	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M-2H"	-2.014552
"831143"	236.127224	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-2H"	-2.014552
"92594"	947.530724	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M-H"	-1.007276
"529964"	1421.799724	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M-H"	-1.007276
"908859"	473.261724	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-H"	-1.007276
"60804"	964.557271	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M-2H+NH4"	16.019271
"500243"	1438.826271	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M-2H+NH4"	16.019271
"878653"	490.288271	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-2H+NH4"	16.019271
"40843"	969.512666	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M-2H+Na"	20.974666
"474208"	1443.781666	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M-2H+Na"	20.974666
"851645"	495.243666	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-2H+Na"	20.974666
"1625549"	495.243666	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Na-2H"	20.974666
"97342"	491.250063	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M-H+Cl"	33.962126
"537267"	728.384563	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M-H+Cl"	33.962126
"929687"	254.115563	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-H+Cl"	33.962126
"271893"	983.507402	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+Cl"	34.969402
"665044"	1457.776402	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+Cl"	34.969402
"1276354"	509.238402	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Cl"	34.969402
"17815"	985.486606	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M-2H+K"	36.948606
"460658"	1459.755606	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M-2H+K"	36.948606
"837732"	511.217606	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-2H+K"	36.948606
"1568511"	511.217606	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+K-2H"	36.948606
"953113"	519.267194	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-H+HCOOH"	44.998194
"376563"	993.536201	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+HCOOH-H"	44.998201
"351938"	1007.551851	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+Hac-H"	59.013851
"1497487"	533.282851	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Hac-H"	59.013851
"961018"	541.249151	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-H+NaCOOH"	66.980151
"114304"	509.238402	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+2Cl"	69.938804
"553134"	746.372902	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+2Cl"	69.938804
"1033603"	272.103902	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2Cl"	69.938804
"1243702"	553.187885	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Br"	78.918885
"1308702"	555.243872	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Cl+HCOOH"	80.974872
"1323281"	577.225829	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Cl+NaCOOH"	102.956829
"914705"	587.254586	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M-H+CF3COOH"	112.985586
"1296153"	623.231264	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Cl+CF3COOH"	148.962264
"1369576"	439.256324	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H-2H2O"	-35.012676
"1387439"	457.2663	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H-H2O"	-17.0027
"289313"	949.545276	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+H"	1.007276
"682831"	1423.814276	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+H"	1.007276
"1362460"	475.276276	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H"	1.007276
"134256"	475.276276	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+2H"	2.014552
"569441"	712.410776	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+2H"	2.014552
"1037994"	238.141776	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2H"	2.014552
"217445"	317.186609333333	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+3H"	3.021828
"658348"	475.276276	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+3H"	3.021828
"1176955"	159.096942666667	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+3H"	3.021828
"437675"	966.571823	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+NH4"	18.033823
"796850"	1440.840823	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+NH4"	18.033823
"1694280"	492.302823	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+NH4"	18.033823
"342558"	483.7895495	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+H+NH4"	19.041099
"737169"	720.9240495	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+H+NH4"	19.041099
"1487708"	246.6550495	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H+NH4"	19.041099
"403106"	971.527218	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+Na"	22.989218
"763007"	1445.796218	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+Na"	22.989218
"1607830"	497.258218	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Na"	22.989218
"320055"	486.267247	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+H+Na"	23.996494
"714661"	723.401747	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+H+Na"	23.996494
"1465201"	249.132747	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H+Na"	23.996494
"1058447"	166.424256666667	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2H+Na"	25.00377
"1260125"	507.302486	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+CH3OH+H"	33.033486
"384169"	987.501158	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+K"	38.963158
"744072"	1461.770158	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+K"	38.963158
"1545031"	513.232158	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+K"	38.963158
"303300"	494.254217	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+H+K"	39.970434
"702281"	731.388717	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+H+K"	39.970434
"1451728"	257.119717	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H+K"	39.970434
"245799"	990.571826	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+ACN+H"	42.033826
"1220693"	516.302826	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+ACN+H"	42.033826
"1205668"	258.655051	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+ACN+2H"	43.041102
"197450"	993.50916	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+2Na-H"	44.97116
"638103"	1467.77816	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+2Na-H"	44.97116
"1143795"	519.24016	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2Na-H"	44.97116
"181623"	497.258218	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+2Na"	45.978436
"624465"	734.392718	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+2Na"	45.978436
"1124690"	260.123718	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2Na"	45.978436
"1404933"	173.751570666667	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H+2Na"	46.985712
"1434862"	521.281746	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H+HCOOH"	47.012746
"228930"	502.29124	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+3H2O+2H"	56.04448
"1515898"	535.33379	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+IsoProp+H"	61.06479
"413401"	505.245188	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+Na+K"	61.952376
"777674"	742.379688	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+Na+K"	61.952376
"1670722"	268.110688	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Na+K"	61.952376
"256147"	1012.553768	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+ACN+Na"	64.015768
"1229949"	538.284768	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+ACN+Na"	64.015768
"1715553"	538.308293	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+NH4+HCOOH"	64.039293
"1180178"	181.078884666667	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+3Na"	68.967654
"1655175"	543.263688	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Na+HCOOH"	68.994688
"168598"	1025.45704	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+2K-H"	76.91904
"608159"	1499.72604	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+2K-H"	76.91904
"1098137"	551.18804	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2K-H"	76.91904
"144026"	513.232158	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"2M+2K"	77.926316
"583581"	750.366658	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"3M+2K"	77.926316
"1076849"	276.097658	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2K"	77.926316
"1111154"	553.202592	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2K+H"	78.933592
"1347539"	553.290207	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+DMSO+H"	79.021207
"1018256"	557.329376	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2ACN+H"	83.060376
"1530914"	558.323008	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+IsoProp+Na+H"	84.054008
"1004658"	279.168326	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+2ACN+2H"	84.067652
"1600617"	559.237628	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+K+HCOOH"	84.968628
"1427374"	589.269138	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+H+CF3COOH"	115.000138
"1160939"	299.681601	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+3ACN+2H"	125.094202
"1698466"	606.295685	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+NH4+CF3COOH"	132.026685
"1639585"	611.25108	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+Na+CF3COOH"	136.98208
"1574142"	627.22502	"C01552"	"Amastatin"	"C21H38N4O8"	"474.269"	"M+K+CF3COOH"	152.95602
"813255"	393.1147	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M"	0
"980225"	374.09631	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-H2O-H"	-19.01839
"78444"	261.069190666667	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M-3H"	-3.021828
"515686"	392.107424	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M-3H"	-3.021828
"895444"	130.030957333333	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-3H"	-3.021828
"12803"	392.107424	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M-2H"	-2.014552
"454064"	588.664774	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M-2H"	-2.014552
"832107"	195.550074	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-2H"	-2.014552
"91979"	785.222124	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M-H"	-1.007276
"528989"	1178.336824	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M-H"	-1.007276
"909705"	392.107424	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-H"	-1.007276
"59945"	802.248671	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M-2H+NH4"	16.019271
"500598"	1195.363371	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M-2H+NH4"	16.019271
"876338"	409.133971	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-2H+NH4"	16.019271
"43144"	807.204066	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M-2H+Na"	20.974666
"479425"	1200.318766	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M-2H+Na"	20.974666
"852850"	414.089366	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-2H+Na"	20.974666
"1623477"	414.089366	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Na-2H"	20.974666
"97819"	410.095763	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M-H+Cl"	33.962126
"540662"	606.653113	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M-H+Cl"	33.962126
"934176"	213.538413	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-H+Cl"	33.962126
"282741"	821.198802	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+Cl"	34.969402
"665155"	1214.313502	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+Cl"	34.969402
"1278652"	428.084102	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Cl"	34.969402
"25582"	823.178006	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M-2H+K"	36.948606
"465144"	1216.292706	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M-2H+K"	36.948606
"844769"	430.063306	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-2H+K"	36.948606
"1570612"	430.063306	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+K-2H"	36.948606
"958368"	438.112894	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-H+HCOOH"	44.998194
"376838"	831.227601	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+HCOOH-H"	44.998201
"358494"	845.243251	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+Hac-H"	59.013851
"1505987"	452.128551	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Hac-H"	59.013851
"967329"	460.094851	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-H+NaCOOH"	66.980151
"119516"	428.084102	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+2Cl"	69.938804
"563818"	624.641452	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+2Cl"	69.938804
"1032257"	231.526752	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2Cl"	69.938804
"1248554"	472.033585	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Br"	78.918885
"1313187"	474.089572	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Cl+HCOOH"	80.974872
"1324850"	496.071529	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Cl+NaCOOH"	102.956829
"918461"	506.100286	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M-H+CF3COOH"	112.985586
"1301002"	542.076964	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Cl+CF3COOH"	148.962264
"1374424"	358.102024	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H-2H2O"	-35.012676
"1388642"	376.112	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H-H2O"	-17.0027
"292339"	787.236676	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+H"	1.007276
"679659"	1180.351376	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+H"	1.007276
"1362206"	394.121976	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H"	1.007276
"134366"	394.121976	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+2H"	2.014552
"572831"	590.679326	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+2H"	2.014552
"1039076"	197.564626	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2H"	2.014552
"209530"	263.083742666667	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+3H"	3.021828
"654560"	394.121976	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+3H"	3.021828
"1175605"	132.045509333333	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+3H"	3.021828
"435598"	804.263223	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+NH4"	18.033823
"798055"	1197.377923	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+NH4"	18.033823
"1694391"	411.148523	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+NH4"	18.033823
"342669"	402.6352495	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+H+NH4"	19.041099
"737279"	599.1925995	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+H+NH4"	19.041099
"1487818"	206.0778995	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H+NH4"	19.041099
"404312"	809.218618	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+Na"	22.989218
"765306"	1202.333318	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+Na"	22.989218
"1606847"	416.103918	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Na"	22.989218
"320165"	405.112947	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+H+Na"	23.996494
"714771"	601.670297	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+H+Na"	23.996494
"1465311"	208.555597	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H+Na"	23.996494
"1055276"	139.372823333333	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2H+Na"	25.00377
"1260235"	426.148186	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+CH3OH+H"	33.033486
"380999"	825.192558	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+K"	38.963158
"744182"	1218.307258	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+K"	38.963158
"1545141"	432.077858	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+K"	38.963158
"301587"	413.099917	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+H+K"	39.970434
"694738"	609.657267	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+H+K"	39.970434
"1452931"	216.542567	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H+K"	39.970434
"249189"	828.263226	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+ACN+H"	42.033826
"1222991"	435.148526	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+ACN+H"	42.033826
"1208819"	218.077901	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+ACN+2H"	43.041102
"200841"	831.20056	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+2Na-H"	44.97116
"640401"	1224.31526	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+2Na-H"	44.97116
"1143910"	438.08586	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2Na-H"	44.97116
"184650"	416.103918	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+2Na"	45.978436
"625668"	612.661268	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+2Na"	45.978436
"1126986"	219.546568	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2Na"	45.978436
"1409417"	146.700137333333	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H+2Na"	46.985712
"1438252"	440.127446	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H+HCOOH"	47.012746
"231227"	421.13694	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+3H2O+2H"	56.04448
"1519288"	454.17949	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+IsoProp+H"	61.06479
"417886"	424.090888	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+Na+K"	61.952376
"778878"	620.648238	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+Na+K"	61.952376
"1673020"	227.533538	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Na+K"	61.952376
"261725"	850.245168	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+ACN+Na"	64.015768
"1236620"	457.130468	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+ACN+Na"	64.015768
"1721134"	457.153993	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+NH4+HCOOH"	64.039293
"1186487"	154.027451333333	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+3Na"	68.967654
"1658565"	462.109388	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Na+HCOOH"	68.994688
"167615"	863.14844	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+2K-H"	76.91904
"603894"	1256.26314	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+2K-H"	76.91904
"1089500"	470.03374	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2K-H"	76.91904
"145224"	432.077858	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"2M+2K"	77.926316
"584178"	628.635208	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"3M+2K"	77.926316
"1076959"	235.520508	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2K"	77.926316
"1112356"	472.048292	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2K+H"	78.933592
"1342180"	472.135907	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+DMSO+H"	79.021207
"1020190"	476.175076	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2ACN+H"	83.060376
"1533210"	477.168708	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+IsoProp+Na+H"	84.054008
"995287"	238.591176	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+2ACN+2H"	84.067652
"1589791"	478.083328	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+K+HCOOH"	84.968628
"1427850"	508.114838	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+H+CF3COOH"	115.000138
"1161660"	259.104451	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+3ACN+2H"	125.094202
"1701856"	525.141385	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+NH4+CF3COOH"	132.026685
"1639695"	530.09678	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+Na+CF3COOH"	136.98208
"1574252"	546.07072	"C01553"	"Amsacrine;mAMSA;4-(9-Acridinylamino)-3-methoxymethanesulfonanilide"	"C21H19N3O3S"	"393.1147"	"M+K+CF3COOH"	152.95602
"815555"	260.2504	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M"	0
"985807"	241.23201	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-H2O-H"	-19.01839
"78360"	172.492990666667	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M-3H"	-3.021828
"518448"	259.243124	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M-3H"	-3.021828
"895058"	85.7428573333333	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-3H"	-3.021828
"14738"	259.243124	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M-2H"	-2.014552
"454302"	389.368324	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M-2H"	-2.014552
"830642"	129.117924	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-2H"	-2.014552
"89906"	519.493524	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M-H"	-1.007276
"533468"	779.743924	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M-H"	-1.007276
"910543"	259.243124	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-H"	-1.007276
"62242"	536.520071	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M-2H+NH4"	16.019271
"499736"	796.770471	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M-2H+NH4"	16.019271
"878634"	276.269671	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-2H+NH4"	16.019271
"43254"	541.475466	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M-2H+Na"	20.974666
"479535"	801.725866	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M-2H+Na"	20.974666
"852961"	281.225066	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-2H+Na"	20.974666
"1624679"	281.225066	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Na-2H"	20.974666
"100115"	277.231463	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M-H+Cl"	33.962126
"540772"	407.356663	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M-H+Cl"	33.962126
"931006"	147.106263	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-H+Cl"	33.962126
"280498"	555.470202	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+Cl"	34.969402
"665265"	815.720602	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+Cl"	34.969402
"1278762"	295.219802	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Cl"	34.969402
"25692"	557.449406	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M-2H+K"	36.948606
"465254"	817.699806	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M-2H+K"	36.948606
"845243"	297.199006	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-2H+K"	36.948606
"1570193"	297.199006	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+K-2H"	36.948606
"958080"	305.248594	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-H+HCOOH"	44.998194
"376994"	565.499001	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+HCOOH-H"	44.998201
"350337"	579.514651	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+Hac-H"	59.013851
"1498075"	319.264251	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Hac-H"	59.013851
"966344"	327.230551	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-H+NaCOOH"	66.980151
"119628"	295.219802	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+2Cl"	69.938804
"556271"	425.345002	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+2Cl"	69.938804
"1032368"	165.094602	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2Cl"	69.938804
"1252675"	339.169285	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Br"	78.918885
"1307832"	341.225272	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Cl+HCOOH"	80.974872
"1324601"	363.207229	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Cl+NaCOOH"	102.956829
"920763"	373.235986	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M-H+CF3COOH"	112.985586
"1299658"	409.212664	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Cl+CF3COOH"	148.962264
"1375633"	225.237724	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H-2H2O"	-35.012676
"1398114"	243.2477	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H-H2O"	-17.0027
"297555"	521.508076	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+H"	1.007276
"683051"	781.758476	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+H"	1.007276
"1365600"	261.257676	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H"	1.007276
"139218"	261.257676	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+2H"	2.014552
"578776"	391.382876	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+2H"	2.014552
"1049763"	131.132476	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2H"	2.014552
"215476"	174.507542666667	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+3H"	3.021828
"654670"	261.257676	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+3H"	3.021828
"1175714"	87.7574093333333	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+3H"	3.021828
"437897"	538.534623	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+NH4"	18.033823
"800234"	798.785023	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+NH4"	18.033823
"1694501"	278.284223	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+NH4"	18.033823
"343873"	269.7709495	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+H+NH4"	19.041099
"734109"	399.8961495	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+H+NH4"	19.041099
"1487929"	139.6457495	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H+NH4"	19.041099
"406609"	543.490018	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+Na"	22.989218
"768697"	803.740418	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+Na"	22.989218
"1606227"	283.239618	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Na"	22.989218
"318088"	272.248647	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+H+Na"	23.996494
"714882"	402.373847	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+H+Na"	23.996494
"1466515"	142.123447	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H+Na"	23.996494
"1056479"	95.0847233333333	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2H+Na"	25.00377
"1260345"	293.283886	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+CH3OH+H"	33.033486
"381109"	559.463958	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+K"	38.963158
"742106"	819.714358	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+K"	38.963158
"1547438"	299.213558	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+K"	38.963158
"306800"	280.235617	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+H+K"	39.970434
"700315"	410.360817	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+H+K"	39.970434
"1460901"	150.110417	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H+K"	39.970434
"250031"	562.534626	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+ACN+H"	42.033826
"1223834"	302.284226	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+ACN+H"	42.033826
"1207354"	151.645751	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+ACN+2H"	43.041102
"202412"	565.47196	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+2Na-H"	44.97116
"641608"	825.72236	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+2Na-H"	44.97116
"1145114"	305.22156	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2Na-H"	44.97116
"180751"	283.239618	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+2Na"	45.978436
"622498"	413.364818	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+2Na"	45.978436
"1131230"	153.114418	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2Na"	45.978436
"1409528"	102.412037333333	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H+2Na"	46.985712
"1433992"	307.263146	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H+HCOOH"	47.012746
"226967"	288.27264	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+3H2O+2H"	56.04448
"1520496"	321.31519	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+IsoProp+H"	61.06479
"420180"	291.226588	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+Na+K"	61.952376
"776803"	421.351788	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+Na+K"	61.952376
"1675323"	161.101388	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Na+K"	61.952376
"258560"	584.516568	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+ACN+Na"	64.015768
"1230174"	324.266168	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+ACN+Na"	64.015768
"1719421"	324.289693	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+NH4+HCOOH"	64.039293
"1186599"	109.739351333333	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+3Na"	68.967654
"1656489"	329.245088	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Na+HCOOH"	68.994688
"165537"	597.41984	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+2K-H"	76.91904
"602914"	857.67024	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+2K-H"	76.91904
"1088517"	337.16944	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2K-H"	76.91904
"150809"	299.213558	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"2M+2K"	77.926316
"589275"	429.338758	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"3M+2K"	77.926316
"1077069"	169.088358	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2K"	77.926316
"1111374"	339.183992	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2K+H"	78.933592
"1347759"	339.271607	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+DMSO+H"	79.021207
"1017382"	343.310776	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2ACN+H"	83.060376
"1532228"	344.304408	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+IsoProp+Na+H"	84.054008
"1003791"	172.159026	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+2ACN+2H"	84.067652
"1602459"	345.219028	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+K+HCOOH"	84.968628
"1429055"	375.250538	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+H+CF3COOH"	115.000138
"1162254"	192.672301	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+3ACN+2H"	125.094202
"1705246"	392.277085	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+NH4+CF3COOH"	132.026685
"1643086"	397.23248	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+Na+CF3COOH"	136.98208
"1574362"	413.20642	"C01554"	"5alpha-Androstane"	"C19H32"	"260.2504"	"M+K+CF3COOH"	152.95602
"813475"	539.2803	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M"	0
"977165"	520.26191	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-H2O-H"	-19.01839
"65406"	358.512924	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M-3H"	-3.021828
"514812"	538.273024	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M-3H"	-3.021828
"894075"	178.752824	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-3H"	-3.021828
"15455"	538.273024	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M-2H"	-2.014552
"454408"	807.913174	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M-2H"	-2.014552
"830022"	268.632874	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-2H"	-2.014552
"92931"	1077.553324	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M-H"	-1.007276
"531396"	1616.833624	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M-H"	-1.007276
"909926"	538.273024	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-H"	-1.007276
"59193"	1094.579871	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M-2H+NH4"	16.019271
"500696"	1633.860171	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M-2H+NH4"	16.019271
"878746"	555.299571	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-2H+NH4"	16.019271
"44458"	1099.535266	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M-2H+Na"	20.974666
"478551"	1638.815566	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M-2H+Na"	20.974666
"851977"	560.254966	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-2H+Na"	20.974666
"1624790"	560.254966	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Na-2H"	20.974666
"102412"	556.261363	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M-H+Cl"	33.962126
"541975"	825.901513	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M-H+Cl"	33.962126
"937677"	286.621213	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-H+Cl"	33.962126
"280608"	1113.530002	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+Cl"	34.969402
"665375"	1652.810302	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+Cl"	34.969402
"1278872"	574.249702	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Cl"	34.969402
"22522"	1115.509206	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M-2H+K"	36.948606
"465364"	1654.789506	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M-2H+K"	36.948606
"843166"	576.228906	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-2H+K"	36.948606
"1570551"	576.228906	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+K-2H"	36.948606
"957093"	584.278494	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-H+HCOOH"	44.998194
"375678"	1123.558801	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+HCOOH-H"	44.998201
"357369"	1137.574451	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+Hac-H"	59.013851
"1504379"	598.294151	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Hac-H"	59.013851
"973501"	606.260451	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-H+NaCOOH"	66.980151
"124474"	574.249702	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+2Cl"	69.938804
"564035"	843.889852	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+2Cl"	69.938804
"1033200"	304.609552	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2Cl"	69.938804
"1254240"	618.199185	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Br"	78.918885
"1316687"	620.255172	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Cl+HCOOH"	80.974872
"1330910"	642.237129	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Cl+NaCOOH"	102.956829
"924881"	652.265886	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M-H+CF3COOH"	112.985586
"1296485"	688.242564	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Cl+CF3COOH"	148.962264
"1382186"	504.267624	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H-2H2O"	-35.012676
"1397130"	522.2776	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H-H2O"	-17.0027
"296572"	1079.567876	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+H"	1.007276
"686077"	1618.848176	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+H"	1.007276
"1364616"	540.287576	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H"	1.007276
"141030"	540.287576	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+2H"	2.014552
"577792"	809.927726	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+2H"	2.014552
"1049871"	270.647426	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2H"	2.014552
"215219"	360.527476	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+3H"	3.021828
"649312"	540.287576	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+3H"	3.021828
"1170720"	180.767376	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+3H"	3.021828
"438375"	1096.594423	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+NH4"	18.033823
"800223"	1635.874723	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+NH4"	18.033823
"1696559"	557.314123	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+NH4"	18.033823
"345649"	548.8008495	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+H+NH4"	19.041099
"736895"	818.4409995	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+H+NH4"	19.041099
"1488041"	279.1606995	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H+NH4"	19.041099
"404534"	1101.549818	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+Na"	22.989218
"768444"	1640.830118	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+Na"	22.989218
"1611443"	562.269518	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Na"	22.989218
"324759"	551.278547	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+H+Na"	23.996494
"716087"	820.918697	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+H+Na"	23.996494
"1471002"	281.638397	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H+Na"	23.996494
"1063154"	188.09469	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2H+Na"	25.00377
"1264832"	572.313786	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+CH3OH+H"	33.033486
"385597"	1117.523758	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+K"	38.963158
"746591"	1656.804058	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+K"	38.963158
"1549739"	578.243458	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+K"	38.963158
"308007"	559.265517	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+H+K"	39.970434
"704075"	828.905667	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+H+K"	39.970434
"1459718"	289.625367	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H+K"	39.970434
"249777"	1120.594426	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+ACN+H"	42.033826
"1224317"	581.314126	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+ACN+H"	42.033826
"1209290"	291.160701	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+ACN+2H"	43.041102
"203616"	1123.53176	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+2Na-H"	44.97116
"643306"	1662.81206	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+2Na-H"	44.97116
"1146083"	584.25146	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2Na-H"	44.97116
"184872"	562.269518	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+2Na"	45.978436
"627594"	831.909668	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+2Na"	45.978436
"1130860"	292.629368	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2Na"	45.978436
"1413813"	195.422004	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H+2Na"	46.985712
"1442850"	586.293046	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H+HCOOH"	47.012746
"230358"	567.30254	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+3H2O+2H"	56.04448
"1522433"	600.34509	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+IsoProp+H"	61.06479
"423209"	570.256488	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+Na+K"	61.952376
"785220"	839.896638	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+Na+K"	61.952376
"1680538"	300.616338	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Na+K"	61.952376
"263409"	1142.576368	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+ACN+Na"	64.015768
"1235751"	603.296068	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+ACN+Na"	64.015768
"1722448"	603.319593	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+NH4+HCOOH"	64.039293
"1184886"	202.749318	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+3Na"	68.967654
"1660972"	608.274988	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Na+HCOOH"	68.994688
"165649"	1155.47964	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+2K-H"	76.91904
"605210"	1694.75994	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+2K-H"	76.91904
"1089720"	616.19934	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2K-H"	76.91904
"152012"	578.243458	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"2M+2K"	77.926316
"589385"	847.883608	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"3M+2K"	77.926316
"1077179"	308.603308	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2K"	77.926316
"1111484"	618.213892	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2K+H"	78.933592
"1347869"	618.301507	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+DMSO+H"	79.021207
"1016399"	622.340676	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2ACN+H"	83.060376
"1532338"	623.334308	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+IsoProp+Na+H"	84.054008
"1002064"	311.673976	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+2ACN+2H"	84.067652
"1590006"	624.248928	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+K+HCOOH"	84.968628
"1429165"	654.280438	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+H+CF3COOH"	115.000138
"1161763"	332.187251	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+3ACN+2H"	125.094202
"1708637"	671.306985	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+NH4+CF3COOH"	132.026685
"1646477"	676.26238	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+Na+CF3COOH"	136.98208
"1574472"	692.23632	"C01555"	"Apramycin"	"C21H41N5O11"	"539.2803"	"M+K+CF3COOH"	152.95602
"813585"	216.0423	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M"	0
"974842"	197.02391	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H2O-H"	-19.01839
"67703"	143.020924	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-3H"	-3.021828
"513829"	215.035024	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-3H"	-3.021828
"888349"	71.006824	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-3H"	-3.021828
"14581"	215.035024	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H"	-2.014552
"452698"	323.056174	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H"	-2.014552
"830132"	107.013874	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H"	-2.014552
"91577"	431.077324	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-H"	-1.007276
"531383"	647.119624	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-H"	-1.007276
"908574"	215.035024	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H"	-1.007276
"60759"	448.103871	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H+NH4"	16.019271
"500805"	664.146171	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H+NH4"	16.019271
"874474"	232.061571	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H+NH4"	16.019271
"44204"	453.059266	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H+Na"	20.974666
"479755"	669.101566	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H+Na"	20.974666
"852088"	237.016966	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H+Na"	20.974666
"1620526"	237.016966	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na-2H"	20.974666
"95962"	233.023363	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-H+Cl"	33.962126
"537708"	341.044513	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-H+Cl"	33.962126
"929038"	125.002213	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+Cl"	33.962126
"268690"	467.054002	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Cl"	34.969402
"665484"	683.096302	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+Cl"	34.969402
"1275701"	251.011702	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl"	34.969402
"18257"	469.033206	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H+K"	36.948606
"455723"	685.075506	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H+K"	36.948606
"841088"	252.990906	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H+K"	36.948606
"1558015"	252.990906	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K-2H"	36.948606
"952459"	261.040494	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+HCOOH"	44.998194
"370679"	477.082801	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+HCOOH-H"	44.998201
"354562"	491.098451	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Hac-H"	59.013851
"1501205"	275.056151	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Hac-H"	59.013851
"965469"	283.022451	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+NaCOOH"	66.980151
"114010"	251.011702	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2Cl"	69.938804
"554300"	359.032852	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2Cl"	69.938804
"1027475"	142.990552	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2Cl"	69.938804
"1253623"	294.961185	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Br"	78.918885
"1315706"	297.017172	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl+HCOOH"	80.974872
"1331748"	318.999129	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl+NaCOOH"	102.956829
"925235"	329.027886	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+CF3COOH"	112.985586
"1296595"	365.004564	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl+CF3COOH"	148.962264
"1380958"	181.029624	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H-2H2O"	-35.012676
"1394808"	199.0396	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H-H2O"	-17.0027
"297533"	433.091876	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H"	1.007276
"689103"	649.134176	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H"	1.007276
"1365452"	217.049576	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H"	1.007276
"140774"	217.049576	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2H"	2.014552
"577902"	325.070726	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2H"	2.014552
"1050345"	109.028426	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2H"	2.014552
"212049"	145.035476	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+3H"	3.021828
"648329"	217.049576	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+3H"	3.021828
"1169737"	73.021376	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+3H"	3.021828
"431915"	450.118423	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+NH4"	18.033823
"794001"	666.160723	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+NH4"	18.033823
"1688148"	234.076123	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+NH4"	18.033823
"342996"	225.5628495	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H+NH4"	19.041099
"733232"	333.5839995	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H+NH4"	19.041099
"1490331"	117.5416995	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+NH4"	19.041099
"407194"	455.073818	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Na"	22.989218
"768551"	671.116118	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+Na"	22.989218
"1611551"	239.031518	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na"	22.989218
"323776"	228.040547	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H+Na"	23.996494
"716198"	336.061697	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H+Na"	23.996494
"1470017"	120.019397	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+Na"	23.996494
"1063263"	80.34869	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2H+Na"	25.00377
"1262755"	249.075786	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+CH3OH+H"	33.033486
"384612"	471.047758	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+K"	38.963158
"748888"	687.090058	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+K"	38.963158
"1549848"	255.005458	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K"	38.963158
"310304"	236.027517	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H+K"	39.970434
"702727"	344.048667	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H+K"	39.970434
"1459102"	128.006367	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+K"	39.970434
"247335"	474.118426	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+ACN+H"	42.033826
"1223695"	258.076126	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+ACN+H"	42.033826
"1207940"	129.541701	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+ACN+2H"	43.041102
"202271"	477.05576	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2Na-H"	44.97116
"642926"	693.09806	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2Na-H"	44.97116
"1145829"	261.01346	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2Na-H"	44.97116
"183161"	239.031518	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2Na"	45.978436
"627097"	347.052668	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2Na"	45.978436
"1129752"	131.010368	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2Na"	45.978436
"1410845"	87.676004	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+2Na"	46.985712
"1440774"	263.055046	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+HCOOH"	47.012746
"231561"	244.06454	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+3H2O+2H"	56.04448
"1522907"	277.10709	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+IsoProp+H"	61.06479
"421131"	247.018488	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Na+K"	61.952376
"785167"	355.039638	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+Na+K"	61.952376
"1681014"	138.997338	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na+K"	61.952376
"265706"	496.100368	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+ACN+Na"	64.015768
"1237320"	280.058068	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+ACN+Na"	64.015768
"1721466"	280.081593	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+NH4+HCOOH"	64.039293
"1189006"	95.003318	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+3Na"	68.967654
"1658168"	285.036988	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na+HCOOH"	68.994688
"164667"	509.00364	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2K-H"	76.91904
"603135"	725.04594	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2K-H"	76.91904
"1090924"	292.96134	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2K-H"	76.91904
"151029"	255.005458	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2K"	77.926316
"589495"	363.026608	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2K"	77.926316
"1080569"	146.984308	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2K"	77.926316
"1111594"	294.975892	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2K+H"	78.933592
"1348952"	295.063507	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+DMSO+H"	79.021207
"1016508"	299.102676	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2ACN+H"	83.060376
"1532448"	300.096308	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+IsoProp+Na+H"	84.054008
"1002174"	150.054976	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2ACN+2H"	84.067652
"1590117"	301.010928	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K+HCOOH"	84.968628
"1428788"	331.042438	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+CF3COOH"	115.000138
"1161386"	170.568251	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+3ACN+2H"	125.094202
"1711299"	348.068985	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+NH4+CF3COOH"	132.026685
"1645493"	353.02438	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na+CF3COOH"	136.98208
"1574582"	368.99832	"C01557"	"Bergapten;5-Methoxypsoralen;O-Methylbergaptol;5-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K+CF3COOH"	152.95602
"813695"	408.2876	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M"	0
"975561"	389.26921	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"64898"	271.184457333333	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"512846"	407.280324	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"888459"	135.088590666667	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"14327"	407.280324	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"454863"	611.424124	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"831337"	203.136524	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"92051"	815.567924	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"532466"	1223.855524	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"910024"	407.280324	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"61475"	832.594471	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"498972"	1240.882071	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"875677"	424.306871	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"43583"	837.549866	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"484238"	1245.837466	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"850011"	429.262266	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1620636"	429.262266	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"96072"	425.268663	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"536724"	629.412463	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"928052"	221.124863	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"268921"	851.544602	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"665594"	1259.832202	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1275811"	443.257002	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"17274"	853.523806	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"456342"	1261.811406	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"841198"	445.236206	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1558489"	445.236206	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"952569"	453.285794	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"369695"	861.573401	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"356858"	875.589051	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1501315"	467.301451	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"964848"	475.267751	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"116671"	443.257002	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"554409"	647.400802	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1021872"	239.113202	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1253368"	487.206485	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1318004"	489.262472	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1332223"	511.244429	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"926074"	521.273186	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1302902"	557.249864	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1378150"	373.274924	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1392001"	391.2849	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"292781"	817.582476	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"686296"	1225.870076	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1354260"	409.294876	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"134441"	409.294876	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"569262"	613.438676	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1044259"	205.151076	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"209972"	273.199009333333	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"646252"	409.294876	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1169847"	137.103142666667	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"432025"	834.609023	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"796298"	1242.896623	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1688258"	426.321423	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"344200"	417.8081495	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"736989"	621.9519495	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1487162"	213.6643495	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"408120"	839.564418	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"769872"	1247.852018	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1611661"	431.276818	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"321700"	420.285847	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"714122"	624.429647	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1467941"	216.142047	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1060093"	144.430456666667	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1261776"	441.321086	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"382539"	855.538358	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"744625"	1263.825958	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1547774"	447.250758	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"311511"	428.272817	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"702837"	632.416617	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1459939"	224.129017	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"249636"	858.609026	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1224414"	450.321426	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1208782"	225.664351	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"203354"	861.54636	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"642669"	1269.83396	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1146859"	453.25876	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"187893"	431.276818	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"627453"	635.420618	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1130225"	227.133018	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1413872"	151.757770666667	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1444529"	455.300346	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"235632"	436.30984	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1523994"	469.35239	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"424128"	439.263788	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"784789"	643.407588	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1679662"	235.119988	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"263267"	880.590968	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1239984"	472.303368	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1727169"	472.326893	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1191670"	159.085084666667	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1657917"	477.282288	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"165869"	893.49424	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"605431"	1301.78184	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1091041"	485.20664	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"152232"	447.250758	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"589605"	651.394558	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1077399"	243.106958	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1111704"	487.221192	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1348089"	487.308807	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1016618"	491.347976	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1532558"	492.341608	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"999004"	246.177626	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1589862"	493.256228	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1428656"	523.287738	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1161860"	266.690901	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1709954"	540.314285	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1648519"	545.26968	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1584533"	561.24362	"C01558"	"Bile salt;Bile acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"810526"	400.3341	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M"	0
"974701"	381.31571	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-H2O-H"	-19.01839
"64646"	265.882124	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M-3H"	-3.021828
"514050"	399.326824	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M-3H"	-3.021828
"885289"	132.437424	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-3H"	-3.021828
"15701"	399.326824	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M-2H"	-2.014552
"455099"	599.493874	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M-2H"	-2.014552
"831444"	199.159774	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-2H"	-2.014552
"93262"	799.660924	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M-H"	-1.007276
"532091"	1199.995024	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M-H"	-1.007276
"909524"	399.326824	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-H"	-1.007276
"58430"	816.687471	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M-2H+NH4"	16.019271
"499814"	1217.021571	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M-2H+NH4"	16.019271
"877254"	416.353371	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-2H+NH4"	16.019271
"40413"	821.642866	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M-2H+Na"	20.974666
"481068"	1221.976966	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M-2H+Na"	20.974666
"853402"	421.308766	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-2H+Na"	20.974666
"1624029"	421.308766	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Na-2H"	20.974666
"97280"	417.315163	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M-H+Cl"	33.962126
"537933"	617.482213	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M-H+Cl"	33.962126
"928408"	217.148113	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-H+Cl"	33.962126
"267566"	835.637602	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+Cl"	34.969402
"665707"	1235.971702	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+Cl"	34.969402
"1275922"	435.303502	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Cl"	34.969402
"19572"	837.616806	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M-2H+K"	36.948606
"461321"	1237.950906	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M-2H+K"	36.948606
"844590"	437.282706	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-2H+K"	36.948606
"1570271"	437.282706	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+K-2H"	36.948606
"951589"	445.332294	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-H+HCOOH"	44.998194
"368712"	845.666401	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+HCOOH-H"	44.998201
"353688"	859.682051	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+Hac-H"	59.013851
"1501790"	459.347951	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Hac-H"	59.013851
"960220"	467.314251	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-H+NaCOOH"	66.980151
"111314"	435.303502	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+2Cl"	69.938804
"557442"	635.470552	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+2Cl"	69.938804
"1034636"	235.136452	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2Cl"	69.938804
"1254214"	479.252985	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Br"	78.918885
"1314839"	481.308972	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Cl+HCOOH"	80.974872
"1333425"	503.290929	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Cl+NaCOOH"	102.956829
"924118"	513.319686	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M-H+CF3COOH"	112.985586
"1296821"	549.296364	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Cl+CF3COOH"	148.962264
"1378261"	365.321424	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H-2H2O"	-35.012676
"1394665"	383.3314	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H-H2O"	-17.0027
"296540"	801.675476	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+H"	1.007276
"689687"	1202.009576	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+H"	1.007276
"1365308"	401.341376	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H"	1.007276
"134552"	401.341376	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+2H"	2.014552
"578852"	601.508426	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+2H"	2.014552
"1049837"	201.174326	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2H"	2.014552
"216646"	267.896676	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+3H"	3.021828
"659815"	401.341376	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+3H"	3.021828
"1168864"	134.451976	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+3H"	3.021828
"436511"	818.702023	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+NH4"	18.033823
"795320"	1219.036123	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+NH4"	18.033823
"1695309"	418.367923	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+NH4"	18.033823
"342494"	409.8546495	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+H+NH4"	19.041099
"735642"	610.0216995	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+H+NH4"	19.041099
"1489828"	209.6875995	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H+NH4"	19.041099
"406320"	823.657418	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+Na"	22.989218
"761485"	1223.991518	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+Na"	22.989218
"1610677"	423.323318	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Na"	22.989218
"328004"	412.332347	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+H+Na"	23.996494
"718603"	612.499397	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+H+Na"	23.996494
"1469146"	212.165297	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H+Na"	23.996494
"1061299"	141.77929	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2H+Na"	25.00377
"1268443"	433.367586	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+CH3OH+H"	33.033486
"381553"	839.631358	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+K"	38.963158
"745830"	1239.965458	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+K"	38.963158
"1547884"	439.297258	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+K"	38.963158
"313769"	420.319317	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+H+K"	39.970434
"706113"	620.486367	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+H+K"	39.970434
"1460418"	220.152267	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H+K"	39.970434
"250475"	842.702026	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+ACN+H"	42.033826
"1224404"	442.367926	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+ACN+H"	42.033826
"1208163"	221.687601	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+ACN+2H"	43.041102
"204189"	845.63936	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+2Na-H"	44.97116
"643959"	1245.97346	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+2Na-H"	44.97116
"1146656"	445.30526	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2Na-H"	44.97116
"187758"	423.323318	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+2Na"	45.978436
"627318"	623.490368	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+2Na"	45.978436
"1129972"	223.156268	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2Na"	45.978436
"1412159"	149.106604	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H+2Na"	46.985712
"1439900"	447.346846	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H+HCOOH"	47.012746
"230689"	428.35634	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+3H2O+2H"	56.04448
"1523735"	461.39889	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+IsoProp+H"	61.06479
"424033"	431.310288	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+Na+K"	61.952376
"782714"	631.477338	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+Na+K"	61.952376
"1680828"	231.143238	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Na+K"	61.952376
"266173"	864.683968	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+ACN+Na"	64.015768
"1237179"	464.349868	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+ACN+Na"	64.015768
"1728175"	464.373393	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+NH4+HCOOH"	64.039293
"1188865"	156.433918	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+3Na"	68.967654
"1660944"	469.328788	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Na+HCOOH"	68.994688
"168172"	877.58724	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+2K-H"	76.91904
"602263"	1277.92134	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+2K-H"	76.91904
"1099303"	477.25314	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2K-H"	76.91904
"152343"	439.297258	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"2M+2K"	77.926316
"596733"	639.464308	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"3M+2K"	77.926316
"1082981"	239.130208	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2K"	77.926316
"1114378"	479.267692	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2K+H"	78.933592
"1350148"	479.355307	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+DMSO+H"	79.021207
"1019649"	483.394476	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2ACN+H"	83.060376
"1535950"	484.388108	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+IsoProp+Na+H"	84.054008
"999117"	242.200876	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+2ACN+2H"	84.067652
"1596901"	485.302728	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+K+HCOOH"	84.968628
"1426936"	515.334238	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+H+CF3COOH"	115.000138
"1162686"	262.714151	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+3ACN+2H"	125.094202
"1711154"	532.360785	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+NH4+CF3COOH"	132.026685
"1645714"	537.31618	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+Na+CF3COOH"	136.98208
"1578083"	553.29012	"C01561"	"Calcidiol;25-Hydroxyvitamin D3;Calcifediol;Calcifediol anhydrous;(3S5Z7E)-910-Seco-5710(19)-cholestatriene-325-diol"	"C27H44O2"	"400.3341"	"M+K+CF3COOH"	152.95602
"810636"	284.0685	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M"	0
"975419"	265.05011	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"65849"	188.371724	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"513067"	283.061224	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"884305"	93.682224	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"15669"	283.061224	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"455665"	425.095474	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"828267"	141.026974	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"90083"	567.129724	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"528548"	851.198224	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"909634"	283.061224	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"58176"	584.156271	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"499196"	868.224771	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"875542"	300.087771	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"39429"	589.111666	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"477898"	873.180166	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"849381"	305.043166	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1621952"	305.043166	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"97390"	301.049563	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"535977"	443.083813	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"927177"	159.015313	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"267270"	603.106402	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"665817"	887.174902	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1276032"	319.037902	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"19682"	605.085606	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"462524"	889.154106	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"844700"	321.017106	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1571042"	321.017106	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"951699"	329.066694	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"368822"	613.135201	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"353798"	627.150851	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1502631"	343.082351	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"959599"	351.048651	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"112517"	319.037902	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"558645"	461.072152	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1035474"	177.003652	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1254688"	362.987385	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1316772"	365.043372	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1332078"	387.025329	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"924228"	397.054086	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1299118"	433.030764	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1377278"	249.055824	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1392222"	267.0658	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"289722"	569.144276	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"680320"	853.212776	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1359585"	285.075776	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"134662"	285.075776	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"569118"	427.110026	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1046667"	143.041526	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"212380"	190.386276	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"658871"	285.075776	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1170067"	95.696776	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"435528"	586.170823	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"794337"	870.239323	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1696906"	302.102323	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"342970"	293.5890495	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"737940"	435.6232995	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1489939"	151.5547995	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"405702"	591.126218	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"756131"	875.194718	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1610787"	307.057718	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"324104"	296.066747	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"712156"	438.100997	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1468164"	154.032497	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1063596"	103.02409	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1265274"	317.101986	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"378746"	607.100158	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"740472"	891.168658	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1555328"	323.031658	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"313879"	304.053717	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"701965"	446.087967	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1460160"	162.019467	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"250998"	610.170826	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1225435"	326.102326	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1209662"	163.554801	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"203986"	613.10816	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"643979"	897.17666	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1147029"	329.03966	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"188554"	307.057718	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"628321"	449.091968	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1130695"	165.023468	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1413815"	110.351404	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1442926"	331.081246	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"234444"	312.09074	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1523603"	345.13329	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"423530"	315.044688	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"784889"	457.078938	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1680978"	173.010438	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"266160"	632.152768	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1239111"	348.084268	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1727146"	348.107793	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1188975"	117.678718	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1661418"	353.063188	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"168282"	645.05604	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"602373"	929.12454	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1099858"	360.98754	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"149173"	323.031658	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"595056"	465.065908	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1082970"	180.997408	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1114851"	363.002092	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1350908"	363.089707	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1017936"	367.128876	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1534967"	368.122508	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"999227"	184.068076	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1597011"	369.037128	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1425953"	399.068638	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1162084"	204.581351	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1711994"	416.095185	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1648011"	421.05058	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1578193"	437.02452	"C01562"	"Calycosin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"810746"	61.0164	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M"	0
"975529"	41.99801	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-H2O-H"	-19.01839
"63363"	39.670324	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M-3H"	-3.021828
"510990"	60.009124	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M-3H"	-3.021828
"883322"	19.331524	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-3H"	-3.021828
"11740"	60.009124	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M-2H"	-2.014552
"450209"	90.517324	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M-2H"	-2.014552
"823639"	29.500924	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-2H"	-2.014552
"88735"	121.025524	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M-H"	-1.007276
"525379"	182.041924	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M-H"	-1.007276
"906099"	60.009124	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-H"	-1.007276
"57922"	138.052071	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M-2H+NH4"	16.019271
"497483"	199.068471	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M-2H+NH4"	16.019271
"875651"	77.035671	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-2H+NH4"	16.019271
"38446"	143.007466	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M-2H+Na"	20.974666
"478008"	204.023866	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M-2H+Na"	20.974666
"848630"	81.991066	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-2H+Na"	20.974666
"1622062"	81.991066	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Na-2H"	20.974666
"94784"	77.997463	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M-H+Cl"	33.962126
"535115"	108.505663	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M-H+Cl"	33.962126
"927120"	47.489263	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-H+Cl"	33.962126
"267382"	157.002202	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+Cl"	34.969402
"660166"	218.018602	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+Cl"	34.969402
"1274076"	95.985802	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Cl"	34.969402
"16754"	158.981406	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M-2H+K"	36.948606
"462634"	219.997806	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M-2H+K"	36.948606
"842624"	97.965006	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-2H+K"	36.948606
"1565021"	97.965006	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+K-2H"	36.948606
"948529"	106.014594	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-H+HCOOH"	44.998194
"371117"	167.031001	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+HCOOH-H"	44.998201
"352814"	181.046651	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+Hac-H"	59.013851
"1501647"	120.030251	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Hac-H"	59.013851
"959101"	127.996551	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-H+NaCOOH"	66.980151
"113722"	95.985802	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+2Cl"	69.938804
"558755"	126.494002	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+2Cl"	69.938804
"1035825"	65.477602	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2Cl"	69.938804
"1255527"	139.935285	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Br"	78.918885
"1316880"	141.991272	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Cl+HCOOH"	80.974872
"1334010"	163.973229	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Cl+NaCOOH"	102.956829
"925068"	174.001986	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M-H+CF3COOH"	112.985586
"1297041"	209.978664	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Cl+CF3COOH"	148.962264
"1379574"	26.003724	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H-2H2O"	-35.012676
"1392696"	44.0137	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H-H2O"	-17.0027
"285091"	123.040076	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+H"	1.007276
"677512"	184.056476	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+H"	1.007276
"1351796"	62.023676	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H"	1.007276
"127113"	62.023676	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+2H"	2.014552
"566312"	92.531876	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+2H"	2.014552
"1046777"	31.515476	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2H"	2.014552
"212490"	41.684876	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+3H"	3.021828
"656793"	62.023676	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+3H"	3.021828
"1169084"	21.346076	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+3H"	3.021828
"435274"	140.066623	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+NH4"	18.033823
"794446"	201.083023	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+NH4"	18.033823
"1695533"	79.050223	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+NH4"	18.033823
"343687"	70.5369495	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+H+NH4"	19.041099
"737201"	101.0451495	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+H+NH4"	19.041099
"1491143"	40.0287495	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H+NH4"	19.041099
"406540"	145.022018	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+Na"	22.989218
"756240"	206.038418	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+Na"	22.989218
"1606524"	84.005618	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Na"	22.989218
"323122"	73.014647	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+H+Na"	23.996494
"712266"	103.522847	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+H+Na"	23.996494
"1468275"	42.506447	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H+Na"	23.996494
"1061520"	28.67339	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2H+Na"	25.00377
"1268664"	94.049886	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+CH3OH+H"	33.033486
"381773"	160.995958	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+K"	38.963158
"742768"	222.012358	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+K"	38.963158
"1552112"	99.979558	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+K"	38.963158
"312936"	81.001617	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+H+K"	39.970434
"704262"	111.509817	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+H+K"	39.970434
"1458082"	50.493417	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H+K"	39.970434
"251354"	164.066626	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+ACN+H"	42.033826
"1225563"	103.050226	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+ACN+H"	42.033826
"1209813"	52.028751	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+ACN+2H"	43.041102
"204061"	167.00396	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+2Na-H"	44.97116
"644109"	228.02036	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+2Na-H"	44.97116
"1146938"	105.98756	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2Na-H"	44.97116
"188385"	84.005618	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+2Na"	45.978436
"628356"	114.513818	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+2Na"	45.978436
"1130927"	53.497418	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2Na"	45.978436
"1413478"	36.000704	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H+2Na"	46.985712
"1443036"	108.029146	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H+HCOOH"	47.012746
"233097"	89.03864	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+3H2O+2H"	56.04448
"1523471"	122.08119	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+IsoProp+H"	61.06479
"421939"	91.992588	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+Na+K"	61.952376
"784027"	122.500788	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+Na+K"	61.952376
"1678171"	61.484388	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Na+K"	61.952376
"264690"	186.048568	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+ACN+Na"	64.015768
"1235212"	125.032168	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+ACN+Na"	64.015768
"1725190"	125.055693	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+NH4+HCOOH"	64.039293
"1189449"	43.328018	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+3Na"	68.967654
"1661528"	130.011088	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Na+HCOOH"	68.994688
"167299"	198.95184	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+2K-H"	76.91904
"601390"	259.96824	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+2K-H"	76.91904
"1098792"	137.93544	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2K-H"	76.91904
"151470"	99.979558	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"2M+2K"	77.926316
"595287"	130.487758	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"3M+2K"	77.926316
"1079922"	69.471358	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2K"	77.926316
"1113136"	139.949992	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2K+H"	78.933592
"1349516"	140.037607	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+DMSO+H"	79.021207
"1018046"	144.076776	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2ACN+H"	83.060376
"1536170"	145.070408	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+IsoProp+Na+H"	84.054008
"997151"	72.542026	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+2ACN+2H"	84.067652
"1596028"	145.985028	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+K+HCOOH"	84.968628
"1423877"	176.016538	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+H+CF3COOH"	115.000138
"1162519"	93.055301	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+3ACN+2H"	125.094202
"1711375"	193.043085	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+NH4+CF3COOH"	132.026685
"1648121"	197.99848	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+Na+CF3COOH"	136.98208
"1578303"	213.97242	"C01563"	"Carbamate;Carbamic acid;Aminoformic acid"	"CH3NO2"	"61.0164"	"M+K+CF3COOH"	152.95602
"814138"	305.1627	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M"	0
"988769"	286.14431	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-H2O-H"	-19.01839
"75917"	202.434524	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M-3H"	-3.021828
"517425"	304.155424	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M-3H"	-3.021828
"894007"	100.713624	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-3H"	-3.021828
"15258"	304.155424	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M-2H"	-2.014552
"452874"	456.736774	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M-2H"	-2.014552
"827758"	151.574074	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-2H"	-2.014552
"93798"	609.318124	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M-H"	-1.007276
"533521"	914.480824	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M-H"	-1.007276
"910348"	304.155424	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-H"	-1.007276
"61315"	626.344671	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M-2H+NH4"	16.019271
"501246"	931.507371	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M-2H+NH4"	16.019271
"878441"	321.181971	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-2H+NH4"	16.019271
"45486"	631.300066	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M-2H+Na"	20.974666
"485409"	936.462766	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M-2H+Na"	20.974666
"859202"	326.137366	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-2H+Na"	20.974666
"1627641"	326.137366	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Na-2H"	20.974666
"96514"	322.143763	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M-H+Cl"	33.962126
"536073"	474.725113	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M-H+Cl"	33.962126
"928497"	169.562413	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-H+Cl"	33.962126
"269241"	645.294802	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+Cl"	34.969402
"668225"	950.457502	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+Cl"	34.969402
"1279534"	340.132102	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Cl"	34.969402
"21001"	647.274006	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M-2H+K"	36.948606
"458007"	952.436706	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M-2H+K"	36.948606
"842734"	342.111306	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-2H+K"	36.948606
"1565131"	342.111306	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+K-2H"	36.948606
"949732"	350.160894	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-H+HCOOH"	44.998194
"367947"	655.323601	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+HCOOH-H"	44.998201
"355110"	669.339251	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+Hac-H"	59.013851
"1500662"	364.176551	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Hac-H"	59.013851
"962733"	372.142851	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-H+NaCOOH"	66.980151
"114557"	340.132102	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+2Cl"	69.938804
"555218"	492.713452	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+2Cl"	69.938804
"1029859"	187.550752	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2Cl"	69.938804
"1249436"	384.081585	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Br"	78.918885
"1316257"	386.137572	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Cl+HCOOH"	80.974872
"1325009"	408.119529	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Cl+NaCOOH"	102.956829
"921533"	418.148286	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M-H+CF3COOH"	112.985586
"1293867"	454.124964	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Cl+CF3COOH"	148.962264
"1373123"	270.150024	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H-2H2O"	-35.012676
"1387337"	288.16	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H-H2O"	-17.0027
"283377"	611.332676	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+H"	1.007276
"678353"	916.495376	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+H"	1.007276
"1356890"	306.169976	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H"	1.007276
"140849"	306.169976	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+2H"	2.014552
"580900"	458.751326	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+2H"	2.014552
"1052090"	153.588626	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2H"	2.014552
"219863"	204.449076	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+3H"	3.021828
"657997"	306.169976	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+3H"	3.021828
"1176124"	102.728176	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+3H"	3.021828
"437937"	628.359223	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+NH4"	18.033823
"799303"	933.521923	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+NH4"	18.033823
"1693083"	323.196523	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+NH4"	18.033823
"343193"	314.6832495	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+H+NH4"	19.041099
"737071"	467.2645995	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+H+NH4"	19.041099
"1486518"	162.1018995	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H+NH4"	19.041099
"404104"	633.314618	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+Na"	22.989218
"757447"	938.477318	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+Na"	22.989218
"1604452"	328.151918	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Na"	22.989218
"319953"	317.160947	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+H+Na"	23.996494
"711283"	469.742297	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+H+Na"	23.996494
"1467292"	164.579597	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H+Na"	23.996494
"1060537"	110.05549	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2H+Na"	25.00377
"1268778"	338.196186	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+CH3OH+H"	33.033486
"379697"	649.288558	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+K"	38.963158
"746159"	954.451258	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+K"	38.963158
"1551495"	344.125858	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+K"	38.963158
"309766"	325.147917	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+H+K"	39.970434
"706930"	477.729267	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+H+K"	39.970434
"1459655"	172.566567	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H+K"	39.970434
"250570"	652.359226	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+ACN+H"	42.033826
"1225425"	347.196526	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+ACN+H"	42.033826
"1209673"	174.101901	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+ACN+2H"	43.041102
"204223"	655.29656	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+2Na-H"	44.97116
"643610"	960.45926	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+2Na-H"	44.97116
"1144310"	350.13386	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2Na-H"	44.97116
"186021"	328.151918	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+2Na"	45.978436
"627891"	480.733268	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+2Na"	45.978436
"1128481"	175.570568	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2Na"	45.978436
"1411030"	117.382804	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H+2Na"	46.985712
"1444854"	352.175446	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H+HCOOH"	47.012746
"234179"	333.18494	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+3H2O+2H"	56.04448
"1522851"	366.22749	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+IsoProp+H"	61.06479
"422902"	336.138888	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+Na+K"	61.952376
"784015"	488.720238	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+Na+K"	61.952376
"1679374"	183.557538	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Na+K"	61.952376
"263706"	674.341168	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+ACN+Na"	64.015768
"1240060"	369.178468	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+ACN+Na"	64.015768
"1724936"	369.201993	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+NH4+HCOOH"	64.039293
"1189560"	124.710118	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+3Na"	68.967654
"1657266"	374.157388	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Na+HCOOH"	68.994688
"163032"	687.24444	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+2K-H"	76.91904
"611956"	992.40714	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+2K-H"	76.91904
"1098655"	382.08174	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2K-H"	76.91904
"154755"	344.125858	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"2M+2K"	77.926316
"595161"	496.707208	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"3M+2K"	77.926316
"1082226"	191.544508	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2K"	77.926316
"1111425"	384.096292	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2K+H"	78.933592
"1347810"	384.183907	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+DMSO+H"	79.021207
"1018160"	388.223076	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2ACN+H"	83.060376
"1539614"	389.216708	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+IsoProp+Na+H"	84.054008
"1002371"	194.615176	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+2ACN+2H"	84.067652
"1601979"	390.131328	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+K+HCOOH"	84.968628
"1428857"	420.162838	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+H+CF3COOH"	115.000138
"1161816"	215.128451	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+3ACN+2H"	125.094202
"1710394"	437.189385	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+NH4+CF3COOH"	132.026685
"1647137"	442.14478	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+Na+CF3COOH"	136.98208
"1578413"	458.11872	"C01564"	"Cetraxate"	"C17H23NO4"	"305.1627"	"M+K+CF3COOH"	152.95602
"812059"	42.0218	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M"	0
"989202"	23.00341	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-H2O-H"	-19.01839
"77851"	27.0072573333333	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M-3H"	-3.021828
"517047"	41.014524	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M-3H"	-3.021828
"893752"	12.9999906666667	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-3H"	-3.021828
"11601"	41.014524	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M-2H"	-2.014552
"451889"	62.025424	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M-2H"	-2.014552
"829327"	20.003624	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-2H"	-2.014552
"93789"	83.036324	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M-H"	-1.007276
"533795"	125.058124	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M-H"	-1.007276
"910944"	41.014524	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-H"	-1.007276
"61060"	100.062871	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M-2H+NH4"	16.019271
"501353"	142.084671	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M-2H+NH4"	16.019271
"879035"	58.041071	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-2H+NH4"	16.019271
"45232"	105.018266	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M-2H+Na"	20.974666
"484426"	147.040066	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M-2H+Na"	20.974666
"862228"	62.996466	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-2H+Na"	20.974666
"1624471"	62.996466	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Na-2H"	20.974666
"95043"	59.002863	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M-H+Cl"	33.962126
"535574"	80.013763	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M-H+Cl"	33.962126
"929700"	37.991963	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-H+Cl"	33.962126
"270444"	119.013002	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+Cl"	34.969402
"666148"	161.034802	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+Cl"	34.969402
"1276363"	76.991202	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Cl"	34.969402
"18189"	120.992206	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M-2H+K"	36.948606
"459572"	163.014006	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M-2H+K"	36.948606
"839561"	78.970406	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-2H+K"	36.948606
"1559040"	78.970406	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+K-2H"	36.948606
"949842"	87.019994	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-H+HCOOH"	44.998194
"369150"	129.041801	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+HCOOH-H"	44.998201
"354126"	143.057451	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+Hac-H"	59.013851
"1496394"	101.035651	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Hac-H"	59.013851
"961019"	109.001951	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-H+NaCOOH"	66.980151
"114302"	76.991202	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+2Cl"	69.938804
"555328"	98.002102	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+2Cl"	69.938804
"1031063"	55.980302	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2Cl"	69.938804
"1249547"	120.940685	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Br"	78.918885
"1315275"	122.996672	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Cl+HCOOH"	80.974872
"1328399"	144.978629	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Cl+NaCOOH"	102.956829
"922736"	155.007386	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M-H+CF3COOH"	112.985586
"1300540"	190.984064	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Cl+CF3COOH"	148.962264
"1376514"	7.009124	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H-2H2O"	-35.012676
"1389635"	25.0191	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H-H2O"	-17.0027
"286039"	85.050876	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+H"	1.007276
"678461"	127.072676	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+H"	1.007276
"1357000"	43.029076	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H"	1.007276
"136452"	43.029076	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+2H"	2.014552
"581350"	64.039976	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+2H"	2.014552
"1052560"	22.018176	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2H"	2.014552
"219162"	29.0218093333333	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+3H"	3.021828
"659325"	43.029076	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+3H"	3.021828
"1177692"	15.0145426666667	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+3H"	3.021828
"437683"	102.077423	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+NH4"	18.033823
"796858"	144.099223	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+NH4"	18.033823
"1691006"	60.055623	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+NH4"	18.033823
"344639"	51.5423495	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+H+NH4"	19.041099
"737910"	72.5532495	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+H+NH4"	19.041099
"1486629"	30.5314495	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H+NH4"	19.041099
"404213"	107.032818	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+Na"	22.989218
"755371"	149.054618	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+Na"	22.989218
"1607842"	65.011018	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Na"	22.989218
"315694"	54.020047	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+H+Na"	23.996494
"708357"	75.030947	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+H+Na"	23.996494
"1466309"	33.009147	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H+Na"	23.996494
"1063927"	22.3418566666667	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2H+Na"	25.00377
"1269982"	75.055286	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+CH3OH+H"	33.033486
"381997"	123.006758	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+K"	38.963158
"742993"	165.028558	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+K"	38.963158
"1547233"	80.984958	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+K"	38.963158
"305503"	62.007017	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+H+K"	39.970434
"703027"	83.017917	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+H+K"	39.970434
"1460130"	40.996117	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H+K"	39.970434
"248001"	126.077426	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+ACN+H"	42.033826
"1224969"	84.055626	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+ACN+H"	42.033826
"1208858"	42.531451	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+ACN+2H"	43.041102
"203549"	129.01476	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+2Na-H"	44.97116
"643719"	171.03656	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+2Na-H"	44.97116
"1145764"	86.99296	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2Na-H"	44.97116
"187226"	65.011018	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+2Na"	45.978436
"627644"	86.021918	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+2Na"	45.978436
"1129928"	44.000118	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2Na"	45.978436
"1413458"	29.6691706666667	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H+2Na"	46.985712
"1444113"	89.034546	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H+HCOOH"	47.012746
"234296"	70.04404	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+3H2O+2H"	56.04448
"1523984"	103.08659	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+IsoProp+H"	61.06479
"424052"	72.997988	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+Na+K"	61.952376
"783887"	94.008888	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+Na+K"	61.952376
"1680219"	51.987088	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Na+K"	61.952376
"266006"	148.059368	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+ACN+Na"	64.015768
"1239809"	106.037568	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+ACN+Na"	64.015768
"1727965"	106.061093	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+NH4+HCOOH"	64.039293
"1191859"	36.9964846666667	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+3Na"	68.967654
"1660657"	111.016488	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Na+HCOOH"	68.994688
"164235"	160.96264	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+2K-H"	76.91904
"611942"	202.98444	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+2K-H"	76.91904
"1098158"	118.94084	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2K-H"	76.91904
"156683"	80.984958	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"2M+2K"	77.926316
"595637"	101.995858	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"3M+2K"	77.926316
"1081970"	59.974058	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2K"	77.926316
"1112262"	120.955392	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2K+H"	78.933592
"1348649"	121.043007	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+DMSO+H"	79.021207
"1018270"	125.082176	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2ACN+H"	83.060376
"1539319"	126.075808	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+IsoProp+Na+H"	84.054008
"1004670"	63.044726	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+2ACN+2H"	84.067652
"1601355"	126.990428	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+K+HCOOH"	84.968628
"1429820"	157.021938	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+H+CF3COOH"	115.000138
"1157674"	83.558001	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+3ACN+2H"	125.094202
"1710505"	174.048485	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+NH4+CF3COOH"	132.026685
"1647248"	179.00388	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+Na+CF3COOH"	136.98208
"1578523"	194.97782	"C01566"	"Cyanamide;Carbodiimide"	"CH2N2"	"42.0218"	"M+K+CF3COOH"	152.95602
"813263"	405.1761	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M"	0
"978046"	386.15771	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-H2O-H"	-19.01839
"68476"	269.110124	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M-3H"	-3.021828
"512411"	404.168824	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M-3H"	-3.021828
"888025"	134.051424	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-3H"	-3.021828
"12805"	404.168824	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M-2H"	-2.014552
"450540"	606.756874	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M-2H"	-2.014552
"829435"	201.580774	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-2H"	-2.014552
"94226"	809.344924	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M-H"	-1.007276
"533982"	1214.521024	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M-H"	-1.007276
"910568"	404.168824	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-H"	-1.007276
"59712"	826.371471	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M-2H+NH4"	16.019271
"499275"	1231.547571	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M-2H+NH4"	16.019271
"877442"	421.195371	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-2H+NH4"	16.019271
"43519"	831.326866	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M-2H+Na"	20.974666
"484536"	1236.502966	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M-2H+Na"	20.974666
"859422"	426.150766	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-2H+Na"	20.974666
"1624581"	426.150766	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Na-2H"	20.974666
"95641"	422.157163	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M-H+Cl"	33.962126
"538477"	624.745213	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M-H+Cl"	33.962126
"928472"	219.569113	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-H+Cl"	33.962126
"269095"	845.321602	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+Cl"	34.969402
"668445"	1250.497702	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+Cl"	34.969402
"1275379"	440.145502	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Cl"	34.969402
"17934"	847.300806	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M-2H+K"	36.948606
"458223"	1252.476906	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M-2H+K"	36.948606
"841858"	442.124706	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-2H+K"	36.948606
"1560243"	442.124706	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+K-2H"	36.948606
"944849"	450.174294	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-H+HCOOH"	44.998194
"366344"	855.350401	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+HCOOH-H"	44.998201
"354236"	869.366051	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+Hac-H"	59.013851
"1496871"	464.189951	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Hac-H"	59.013851
"964411"	472.156251	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-H+NaCOOH"	66.980151
"114412"	440.145502	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+2Cl"	69.938804
"555074"	642.733552	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+2Cl"	69.938804
"1025706"	237.557452	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2Cl"	69.938804
"1248563"	484.094985	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Br"	78.918885
"1314292"	486.150972	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Cl+HCOOH"	80.974872
"1323041"	508.132929	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Cl+NaCOOH"	102.956829
"920659"	518.161686	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M-H+CF3COOH"	112.985586
"1295183"	554.138364	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Cl+CF3COOH"	148.962264
"1372250"	370.163424	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H-2H2O"	-35.012676
"1389745"	388.1734	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H-H2O"	-17.0027
"285420"	811.359476	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+H"	1.007276
"677841"	1216.535576	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+H"	1.007276
"1353457"	406.183376	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H"	1.007276
"128906"	406.183376	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+2H"	2.014552
"579404"	608.771426	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+2H"	2.014552
"1044920"	203.595326	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2H"	2.014552
"217927"	271.124676	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+3H"	3.021828
"655664"	406.183376	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+3H"	3.021828
"1166133"	136.065976	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+3H"	3.021828
"428311"	828.386023	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+NH4"	18.033823
"792590"	1233.562123	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+NH4"	18.033823
"1688926"	423.209923	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+NH4"	18.033823
"344748"	414.6966495	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+H+NH4"	19.041099
"736196"	617.2846995	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+H+NH4"	19.041099
"1487831"	212.1085995	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H+NH4"	19.041099
"402136"	833.341418	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+Na"	22.989218
"756575"	1238.517518	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+Na"	22.989218
"1607953"	428.165318	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Na"	22.989218
"317990"	417.174347	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+H+Na"	23.996494
"709441"	619.762397	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+H+Na"	23.996494
"1468605"	214.586297	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H+Na"	23.996494
"1064037"	143.39329	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2H+Na"	25.00377
"1269000"	438.209586	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+CH3OH+H"	33.033486
"382107"	849.315358	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+K"	38.963158
"742010"	1254.491458	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+K"	38.963158
"1545156"	444.139258	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+K"	38.963158
"304519"	425.161317	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+H+K"	39.970434
"703137"	627.749367	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+H+K"	39.970434
"1461171"	222.573267	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H+K"	39.970434
"248476"	852.386026	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+ACN+H"	42.033826
"1224958"	447.209926	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+ACN+H"	42.033826
"1209331"	224.108601	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+ACN+2H"	43.041102
"203653"	855.32336	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+2Na-H"	44.97116
"643826"	1260.49946	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+2Na-H"	44.97116
"1142464"	450.14726	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2Na-H"	44.97116
"185026"	428.165318	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+2Na"	45.978436
"627145"	630.753368	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+2Na"	45.978436
"1125906"	225.577268	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2Na"	45.978436
"1411616"	150.720604	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H+2Na"	46.985712
"1441545"	452.188846	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H+HCOOH"	47.012746
"234405"	433.19834	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+3H2O+2H"	56.04448
"1522709"	466.24089	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+IsoProp+H"	61.06479
"423858"	436.152288	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+Na+K"	61.952376
"783997"	638.740338	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+Na+K"	61.952376
"1681058"	233.564238	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Na+K"	61.952376
"263928"	874.367968	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+ACN+Na"	64.015768
"1238824"	469.191868	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+ACN+Na"	64.015768
"1726616"	469.215393	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+NH4+HCOOH"	64.039293
"1189783"	158.047918	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+3Na"	68.967654
"1660767"	474.170788	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Na+HCOOH"	68.994688
"165439"	887.27124	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+2K-H"	76.91904
"611565"	1292.44734	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+2K-H"	76.91904
"1098269"	482.09514	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2K-H"	76.91904
"155456"	444.139258	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"2M+2K"	77.926316
"595747"	646.727308	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"3M+2K"	77.926316
"1080986"	241.551208	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2K"	77.926316
"1113101"	484.109692	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2K+H"	78.933592
"1348030"	484.197307	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+DMSO+H"	79.021207
"1017286"	488.236476	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2ACN+H"	83.060376
"1537966"	489.230108	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+IsoProp+Na+H"	84.054008
"1004414"	244.621876	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+2ACN+2H"	84.067652
"1601101"	490.144728	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+K+HCOOH"	84.968628
"1429787"	520.176238	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+H+CF3COOH"	115.000138
"1158877"	265.135151	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+3ACN+2H"	125.094202
"1711707"	537.202785	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+NH4+CF3COOH"	132.026685
"1647358"	542.15818	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+Na+CF3COOH"	136.98208
"1578633"	558.13212	"C01567"	"Cytomycin"	"C17H23N7O5"	"405.1761"	"M+K+CF3COOH"	152.95602
"815559"	152.0685	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M"	0
"980341"	133.05011	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-H2O-H"	-19.01839
"68585"	100.371724	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M-3H"	-3.021828
"514707"	151.061224	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M-3H"	-3.021828
"889227"	49.682224	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-3H"	-3.021828
"12915"	151.061224	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M-2H"	-2.014552
"451743"	227.095474	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M-2H"	-2.014552
"829545"	75.026974	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-2H"	-2.014552
"88442"	303.129724	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M-H"	-1.007276
"525816"	455.198224	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M-H"	-1.007276
"910842"	151.061224	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-H"	-1.007276
"59821"	320.156271	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M-2H+NH4"	16.019271
"500479"	472.224771	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M-2H+NH4"	16.019271
"877916"	168.087771	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-2H+NH4"	16.019271
"43629"	325.111666	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M-2H+Na"	20.974666
"483918"	477.180166	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M-2H+Na"	20.974666
"859168"	173.043166	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-2H+Na"	20.974666
"1626877"	173.043166	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Na-2H"	20.974666
"96844"	169.049563	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M-H+Cl"	33.962126
"536401"	245.083813	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M-H+Cl"	33.962126
"929554"	93.015313	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-H+Cl"	33.962126
"270298"	339.106402	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+Cl"	34.969402
"668554"	491.174902	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+Cl"	34.969402
"1273783"	187.037902	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Cl"	34.969402
"18044"	341.085606	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M-2H+K"	36.948606
"459791"	493.154106	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M-2H+K"	36.948606
"839780"	189.017106	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-2H+K"	36.948606
"1561445"	189.017106	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+K-2H"	36.948606
"945687"	197.066694	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-H+HCOOH"	44.998194
"364995"	349.135201	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+HCOOH-H"	44.998201
"350336"	363.150851	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+Hac-H"	59.013851
"1499895"	211.082351	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Hac-H"	59.013851
"964156"	219.048651	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-H+NaCOOH"	66.980151
"114522"	187.037902	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+2Cl"	69.938804
"555184"	263.072152	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+2Cl"	69.938804
"1022778"	111.003652	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2Cl"	69.938804
"1248674"	230.987385	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Br"	78.918885
"1313309"	233.043372	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Cl+HCOOH"	80.974872
"1324245"	255.025329	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Cl+NaCOOH"	102.956829
"919676"	265.054086	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M-H+CF3COOH"	112.985586
"1292013"	301.030764	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Cl+CF3COOH"	148.962264
"1374547"	117.055824	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H-2H2O"	-35.012676
"1387668"	135.0658	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H-H2O"	-17.0027
"285531"	305.144276	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+H"	1.007276
"677587"	457.212776	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+H"	1.007276
"1353569"	153.075776	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H"	1.007276
"131202"	153.075776	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+2H"	2.014552
"579878"	229.110026	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+2H"	2.014552
"1043936"	77.041526	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2H"	2.014552
"212933"	102.386276	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+3H"	3.021828
"651398"	153.075776	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+3H"	3.021828
"1166242"	51.696776	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+3H"	3.021828
"427323"	322.170823	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+NH4"	18.033823
"788323"	474.239323	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+NH4"	18.033823
"1689036"	170.102323	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+NH4"	18.033823
"340600"	161.5890495	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+H+NH4"	19.041099
"733022"	237.6232995	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+H+NH4"	19.041099
"1486844"	85.5547995	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H+NH4"	19.041099
"402244"	327.126218	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+Na"	22.989218
"755949"	479.194718	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+Na"	22.989218
"1604049"	175.057718	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Na"	22.989218
"318097"	164.066747	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+H+Na"	23.996494
"711612"	240.100997	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+H+Na"	23.996494
"1465432"	88.032497	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H+Na"	23.996494
"1059771"	59.02409	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2H+Na"	25.00377
"1263638"	185.101986	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+CH3OH+H"	33.033486
"382212"	343.100158	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+K"	38.963158
"743209"	495.168658	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+K"	38.963158
"1547452"	191.031658	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+K"	38.963158
"307909"	172.053717	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+H+K"	39.970434
"703246"	248.087967	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+H+K"	39.970434
"1458524"	96.019467	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H+K"	39.970434
"248585"	346.170826	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+ACN+H"	42.033826
"1225062"	194.102326	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+ACN+H"	42.033826
"1209719"	97.554801	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+ACN+2H"	43.041102
"204088"	349.10816	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+2Na-H"	44.97116
"643766"	501.17666	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+2Na-H"	44.97116
"1145126"	197.03966	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2Na-H"	44.97116
"181856"	175.057718	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+2Na"	45.978436
"627856"	251.091968	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+2Na"	45.978436
"1126016"	99.023468	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2Na"	45.978436
"1413635"	66.351404	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H+2Na"	46.985712
"1445183"	199.081246	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H+HCOOH"	47.012746
"235483"	180.09074	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+3H2O+2H"	56.04448
"1521966"	213.13329	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+IsoProp+H"	61.06479
"423566"	183.044688	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+Na+K"	61.952376
"782283"	259.078938	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+Na+K"	61.952376
"1678613"	107.010438	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Na+K"	61.952376
"262580"	368.152768	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+ACN+Na"	64.015768
"1237839"	216.084268	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+ACN+Na"	64.015768
"1725266"	216.107793	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+NH4+HCOOH"	64.039293
"1187705"	73.678718	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+3Na"	68.967654
"1660875"	221.063188	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Na+HCOOH"	68.994688
"165549"	381.05604	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+2K-H"	76.91904
"612042"	533.12454	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+2K-H"	76.91904
"1098864"	228.98754	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2K-H"	76.91904
"155565"	191.031658	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"2M+2K"	77.926316
"594033"	267.065908	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"3M+2K"	77.926316
"1080729"	114.997408	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2K"	77.926316
"1110292"	231.002092	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2K+H"	78.933592
"1347411"	231.089707	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+DMSO+H"	79.021207
"1017396"	235.128876	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2ACN+H"	83.060376
"1537711"	236.122508	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+IsoProp+Na+H"	84.054008
"1003674"	118.068076	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+2ACN+2H"	84.067652
"1600846"	237.037128	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+K+HCOOH"	84.968628
"1429431"	267.068638	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+H+CF3COOH"	115.000138
"1158987"	138.581351	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+3ACN+2H"	125.094202
"1710724"	284.095185	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+NH4+CF3COOH"	132.026685
"1646375"	289.05058	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+Na+CF3COOH"	136.98208
"1578743"	305.02452	"C01569"	"D-Apiitol;3-(Hydroxymethyl)erythritol"	"C5H12O5"	"152.0685"	"M+K+CF3COOH"	152.95602
"814576"	131.0946	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M"	0
"978266"	112.07621	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"69789"	86.389124	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"512631"	130.087324	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"888244"	42.690924	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"13389"	130.087324	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"452946"	195.634624	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"830385"	64.540024	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"86364"	261.181924	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"524833"	392.276524	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"911155"	130.087324	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"58838"	278.208471	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"500589"	409.303071	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"878025"	147.113871	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"44103"	283.163866	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"482933"	414.258466	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"856362"	152.069266	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1622614"	152.069266	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"96954"	148.075663	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"535783"	213.622963	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"929664"	82.528363	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"270408"	297.158602	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"663561"	428.253202	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1272962"	166.064002	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"19247"	299.137806	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"458808"	430.232406	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"839890"	168.043206	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1561555"	168.043206	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"948349"	176.092794	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"363282"	307.187401	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"350442"	321.203051	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1497089"	190.108451	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"960985"	198.074751	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"113537"	166.064002	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"554927"	231.611302	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1028113"	100.516702	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1254617"	210.013485	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1315606"	212.069472	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1325447"	234.051429	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"920879"	244.080186	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1295403"	280.056864	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1373563"	96.081924	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1387778"	114.0919	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"284548"	263.196476	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"676605"	394.291076	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1352586"	132.101876	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"132405"	132.101876	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"570871"	197.649176	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1044046"	66.554576	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"213043"	88.403676	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"652601"	132.101876	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1168538"	44.705476	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"428527"	280.223023	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"789526"	411.317623	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1694613"	149.128423	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"342896"	140.6151495	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"736412"	206.1624495	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1488047"	75.0678495	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"406364"	285.178418	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"760067"	416.273018	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1605009"	154.083818	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"321489"	143.092847	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"715002"	208.640147	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1466634"	77.545547	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1064619"	52.03279	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1264840"	164.128086	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"381228"	301.152358	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"744411"	432.246958	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1553393"	170.057758	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"309477"	151.079817	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"705178"	216.627117	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1460783"	85.532517	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"249423"	304.223026	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1225611"	173.128426	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1209585"	87.067851	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"202533"	307.16036	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"644177"	438.25496	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1146853"	176.06576	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"185975"	154.083818	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"628331"	219.631118	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1131223"	88.536518	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1413908"	59.360104	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1445005"	178.107346	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"234011"	159.11684	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1523531"	192.15939	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"424072"	162.070788	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"784942"	227.618088	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1679087"	96.523488	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"263783"	326.204968	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1237949"	195.110368	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1725376"	195.133893	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1187815"	66.687418	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1660985"	200.089288	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"166752"	339.10824	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"612274"	470.20284	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1099703"	208.01364	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"154944"	170.057758	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"594507"	235.605058	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1080474"	104.510458	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1111495"	210.028192	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1348979"	210.115807	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1017872"	214.154976	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1537457"	215.148608	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"1003419"	107.581126	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1601322"	216.063228	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1429785"	246.094738	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1160556"	128.094401	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1710834"	263.121285	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1647578"	268.07668	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1578853"	284.05062	"C01570"	"D-Leucine;D-2-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"812499"	172.1463	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M"	0
"978376"	153.12791	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-H2O-H"	-19.01839
"72086"	113.756924	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M-3H"	-3.021828
"512741"	171.139024	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M-3H"	-3.021828
"888354"	56.374824	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-3H"	-3.021828
"11310"	171.139024	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M-2H"	-2.014552
"453055"	257.212174	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M-2H"	-2.014552
"827577"	85.065874	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-2H"	-2.014552
"82101"	343.285324	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M-H"	-1.007276
"524943"	515.431624	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M-H"	-1.007276
"908586"	171.139024	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-H"	-1.007276
"59312"	360.311871	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M-2H+NH4"	16.019271
"501065"	532.458171	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M-2H+NH4"	16.019271
"875949"	188.165571	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-2H+NH4"	16.019271
"44214"	365.267266	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M-2H+Na"	20.974666
"485233"	537.413566	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M-2H+Na"	20.974666
"860118"	193.120966	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-2H+Na"	20.974666
"1622724"	193.120966	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Na-2H"	20.974666
"98158"	189.127363	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M-H+Cl"	33.962126
"537716"	275.200513	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M-H+Cl"	33.962126
"930139"	103.054213	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-H+Cl"	33.962126
"267314"	379.262002	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+Cl"	34.969402
"661724"	551.408302	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+Cl"	34.969402
"1273477"	207.115702	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Cl"	34.969402
"15911"	381.241206	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M-2H+K"	36.948606
"456076"	553.387506	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M-2H+K"	36.948606
"832914"	209.094906	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-2H+K"	36.948606
"1555786"	209.094906	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+K-2H"	36.948606
"945178"	217.144494	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-H+HCOOH"	44.998194
"362299"	389.290801	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+HCOOH-H"	44.998201
"346137"	403.306451	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+Hac-H"	59.013851
"1492983"	231.160151	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Hac-H"	59.013851
"959394"	239.126451	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-H+NaCOOH"	66.980151
"110143"	207.115702	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+2Cl"	69.938804
"553214"	293.188852	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+2Cl"	69.938804
"1028223"	121.042552	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2Cl"	69.938804
"1252539"	251.065185	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Br"	78.918885
"1315716"	253.121172	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Cl+HCOOH"	80.974872
"1323371"	275.103129	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Cl+NaCOOH"	102.956829
"919896"	285.131886	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M-H+CF3COOH"	112.985586
"1293326"	321.108564	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Cl+CF3COOH"	148.962264
"1370393"	137.133624	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H-2H2O"	-35.012676
"1388982"	155.1436	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H-H2O"	-17.0027
"289761"	345.299876	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+H"	1.007276
"678902"	517.446176	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+H"	1.007276
"1351844"	173.153576	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H"	1.007276
"132515"	173.153576	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+2H"	2.014552
"570981"	259.226726	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+2H"	2.014552
"1040876"	87.080426	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2H"	2.014552
"210967"	115.771476	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+3H"	3.021828
"650524"	173.153576	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+3H"	3.021828
"1164275"	58.389376	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+3H"	3.021828
"426085"	362.326423	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+NH4"	18.033823
"790729"	534.472723	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+NH4"	18.033823
"1691441"	190.180123	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+NH4"	18.033823
"341913"	181.6668495	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+H+NH4"	19.041099
"737252"	267.7399995	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+H+NH4"	19.041099
"1488158"	95.5936995	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H+NH4"	19.041099
"404287"	367.281818	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+Na"	22.989218
"759084"	539.428118	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+Na"	22.989218
"1604998"	195.135518	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Na"	22.989218
"319412"	184.144547	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+H+Na"	23.996494
"714019"	270.217697	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+H+Na"	23.996494
"1465652"	98.071397	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H+Na"	23.996494
"1064364"	65.71669	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2H+Na"	25.00377
"1264951"	205.179786	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+CH3OH+H"	33.033486
"380246"	383.255758	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+K"	38.963158
"742335"	555.402058	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+K"	38.963158
"1550951"	211.109458	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+K"	38.963158
"311045"	192.131517	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+H+K"	39.970434
"704195"	278.204667	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+H+K"	39.970434
"1458744"	106.058367	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H+K"	39.970434
"249533"	386.326426	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+ACN+H"	42.033826
"1225599"	214.180126	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+ACN+H"	42.033826
"1209043"	107.593701	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+ACN+2H"	43.041102
"202643"	389.26376	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+2Na-H"	44.97116
"641470"	561.41006	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+2Na-H"	44.97116
"1146075"	217.11746	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2Na-H"	44.97116
"184626"	195.135518	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+2Na"	45.978436
"626373"	281.208668	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+2Na"	45.978436
"1130977"	109.062368	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2Na"	45.978436
"1414096"	73.044004	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H+2Na"	46.985712
"1445074"	219.159046	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H+HCOOH"	47.012746
"231934"	200.16854	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+3H2O+2H"	56.04448
"1522548"	233.21109	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+IsoProp+H"	61.06479
"423331"	203.122488	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+Na+K"	61.952376
"784687"	289.195638	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+Na+K"	61.952376
"1676644"	117.049338	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Na+K"	61.952376
"260977"	408.308368	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+ACN+Na"	64.015768
"1233685"	236.162068	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+ACN+Na"	64.015768
"1723664"	236.185593	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+NH4+HCOOH"	64.039293
"1186832"	80.371318	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+3Na"	68.967654
"1661095"	241.140988	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Na+HCOOH"	68.994688
"166862"	421.21164	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+2K-H"	76.91904
"610802"	593.35794	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+2K-H"	76.91904
"1097870"	249.06534	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2K-H"	76.91904
"153595"	211.109458	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"2M+2K"	77.926316
"593158"	297.182608	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"3M+2K"	77.926316
"1080583"	125.036308	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2K"	77.926316
"1110511"	251.079892	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2K+H"	78.933592
"1349453"	251.167507	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+DMSO+H"	79.021207
"1018347"	255.206676	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2ACN+H"	83.060376
"1537203"	256.200308	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+IsoProp+Na+H"	84.054008
"1004015"	128.106976	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+2ACN+2H"	84.067652
"1599973"	257.114928	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+K+HCOOH"	84.968628
"1429845"	287.146438	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+H+CF3COOH"	115.000138
"1160299"	148.620251	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+3ACN+2H"	125.094202
"1712039"	304.172985	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+NH4+CF3COOH"	132.026685
"1647688"	309.12838	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+Na+CF3COOH"	136.98208
"1578963"	325.10232	"C01571"	"Decanoic acid;Decanoate;Decylic acid;n-Capric acid"	"C10H20O2"	"172.1463"	"M+K+CF3COOH"	152.95602
"812609"	322.0325	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M"	0
"979579"	303.01411	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-H2O-H"	-19.01839
"68915"	213.681057333333	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M-3H"	-3.021828
"510663"	321.025224	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M-3H"	-3.021828
"886277"	106.336890666667	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-3H"	-3.021828
"11420"	321.025224	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M-2H"	-2.014552
"453165"	482.041474	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M-2H"	-2.014552
"828780"	160.008974	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-2H"	-2.014552
"88770"	643.057724	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M-H"	-1.007276
"527240"	965.090224	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M-H"	-1.007276
"909184"	321.025224	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-H"	-1.007276
"58694"	660.084271	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M-2H+NH4"	16.019271
"501298"	982.116771	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M-2H+NH4"	16.019271
"876787"	338.051771	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-2H+NH4"	16.019271
"44932"	665.039666	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M-2H+Na"	20.974666
"484612"	987.072166	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M-2H+Na"	20.974666
"863266"	343.007166	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-2H+Na"	20.974666
"1625021"	343.007166	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Na-2H"	20.974666
"98268"	339.013563	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M-H+Cl"	33.962126
"537826"	500.029813	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M-H+Cl"	33.962126
"930249"	177.997313	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-H+Cl"	33.962126
"267712"	679.034402	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+Cl"	34.969402
"662685"	1001.066902	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+Cl"	34.969402
"1273628"	357.001902	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Cl"	34.969402
"16143"	681.013606	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M-2H+K"	36.948606
"455987"	1003.046106	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M-2H+K"	36.948606
"832990"	358.981106	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-2H+K"	36.948606
"1555818"	358.981106	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+K-2H"	36.948606
"948203"	367.030694	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-H+HCOOH"	44.998194
"363502"	689.063201	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+HCOOH-H"	44.998201
"346288"	703.078851	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+Hac-H"	59.013851
"1493053"	381.046351	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Hac-H"	59.013851
"959746"	389.012651	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-H+NaCOOH"	66.980151
"110188"	357.001902	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+2Cl"	69.938804
"550229"	518.018152	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+2Cl"	69.938804
"1031613"	195.985652	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2Cl"	69.938804
"1256294"	400.951385	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Br"	78.918885
"1318741"	403.007372	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Cl+HCOOH"	80.974872
"1326762"	424.989329	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Cl+NaCOOH"	102.956829
"922193"	435.018086	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M-H+CF3COOH"	112.985586
"1299996"	470.994764	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Cl+CF3COOH"	148.962264
"1373783"	287.019824	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H-2H2O"	-35.012676
"1390185"	305.0298	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H-H2O"	-17.0027
"292058"	645.072276	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+H"	1.007276
"679376"	967.104776	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+H"	1.007276
"1353169"	323.039776	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H"	1.007276
"132625"	323.039776	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+2H"	2.014552
"569998"	484.056026	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+2H"	2.014552
"1043172"	162.023526	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2H"	2.014552
"211077"	215.695609333333	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+3H"	3.021828
"648811"	323.039776	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+3H"	3.021828
"1165842"	108.351442666667	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+3H"	3.021828
"426561"	662.098823	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+NH4"	18.033823
"787920"	984.131323	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+NH4"	18.033823
"1691551"	340.066323	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+NH4"	18.033823
"342022"	331.5530495	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+H+NH4"	19.041099
"737931"	492.5692995	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+H+NH4"	19.041099
"1490454"	170.5367995	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H+NH4"	19.041099
"405853"	667.054218	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+Na"	22.989218
"760291"	989.086718	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+Na"	22.989218
"1610577"	345.021718	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Na"	22.989218
"321710"	334.030747	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+H+Na"	23.996494
"715224"	495.046997	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+H+Na"	23.996494
"1467951"	173.014497	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H+Na"	23.996494
"1063381"	115.678756666667	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2H+Na"	25.00377
"1269072"	355.065986	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+CH3OH+H"	33.033486
"385825"	683.028158	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+K"	38.963158
"746820"	1005.060658	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+K"	38.963158
"1552157"	360.995658	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+K"	38.963158
"312857"	342.017717	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+H+K"	39.970434
"706999"	503.033967	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+H+K"	39.970434
"1458854"	181.001467	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H+K"	39.970434
"249643"	686.098826	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+ACN+H"	42.033826
"1224910"	364.066326	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+ACN+H"	42.033826
"1209033"	182.536801	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+ACN+2H"	43.041102
"203728"	689.03616	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+2Na-H"	44.97116
"640851"	1011.06866	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+2Na-H"	44.97116
"1146392"	367.00366	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2Na-H"	44.97116
"187780"	345.021718	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+2Na"	45.978436
"627825"	506.037968	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+2Na"	45.978436
"1130722"	184.005468	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2Na"	45.978436
"1412790"	123.006070666667	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H+2Na"	46.985712
"1443076"	369.045246	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H+HCOOH"	47.012746
"233501"	350.05474	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+3H2O+2H"	56.04448
"1520832"	383.09729	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+IsoProp+H"	61.06479
"423081"	353.008688	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+Na+K"	61.952376
"784072"	514.024938	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+Na+K"	61.952376
"1677847"	191.992438	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Na+K"	61.952376
"258900"	708.080768	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+ACN+Na"	64.015768
"1235981"	386.048268	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+ACN+Na"	64.015768
"1723774"	386.071793	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+NH4+HCOOH"	64.039293
"1189128"	130.333384666667	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+3Na"	68.967654
"1661205"	391.027188	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Na+HCOOH"	68.994688
"158588"	720.98404	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+2K-H"	76.91904
"609821"	1043.01654	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+2K-H"	76.91904
"1097617"	398.95154	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2K-H"	76.91904
"151150"	360.995658	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"2M+2K"	77.926316
"591447"	522.011908	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"3M+2K"	77.926316
"1078144"	199.979408	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2K"	77.926316
"1106249"	400.966092	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2K+H"	78.933592
"1348834"	401.053707	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+DMSO+H"	79.021207
"1015174"	405.092876	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2ACN+H"	83.060376
"1537314"	406.086508	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+IsoProp+Na+H"	84.054008
"1003397"	203.050076	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+2ACN+2H"	84.067652
"1600448"	407.001128	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+K+HCOOH"	84.968628
"1429398"	437.032638	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+H+CF3COOH"	115.000138
"1158223"	223.563351	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+3ACN+2H"	125.094202
"1709961"	454.059185	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+NH4+CF3COOH"	132.026685
"1645611"	459.01458	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+Na+CF3COOH"	136.98208
"1579073"	474.98852	"C01572"	"Digallate;Digallic acid"	"C14H10O9"	"322.0325"	"M+K+CF3COOH"	152.95602
"809441"	165.1154	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M"	0
"986622"	146.09701	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-H2O-H"	-19.01839
"71217"	109.069657333333	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M-3H"	-3.021828
"514058"	164.108124	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M-3H"	-3.021828
"891861"	54.0311906666667	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-3H"	-3.021828
"11527"	164.108124	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M-2H"	-2.014552
"452178"	246.665824	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M-2H"	-2.014552
"831449"	81.550424	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-2H"	-2.014552
"93143"	329.223524	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M-H"	-1.007276
"531002"	494.338924	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M-H"	-1.007276
"905157"	164.108124	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-H"	-1.007276
"58440"	346.250071	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M-2H+NH4"	16.019271
"495815"	511.365471	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M-2H+NH4"	16.019271
"873616"	181.134671	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-2H+NH4"	16.019271
"39329"	351.205466	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M-2H+Na"	20.974666
"482169"	516.320866	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M-2H+Na"	20.974666
"851226"	186.090066	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-2H+Na"	20.974666
"1627320"	186.090066	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Na-2H"	20.974666
"108225"	182.096463	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M-H+Cl"	33.962126
"543411"	264.654163	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M-H+Cl"	33.962126
"935829"	99.538763	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-H+Cl"	33.962126
"270375"	365.200202	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+Cl"	34.969402
"665349"	530.315602	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+Cl"	34.969402
"1281033"	200.084802	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Cl"	34.969402
"19214"	367.179406	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M-2H+K"	36.948606
"455968"	532.294806	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M-2H+K"	36.948606
"846427"	202.064006	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-2H+K"	36.948606
"1565904"	202.064006	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+K-2H"	36.948606
"952693"	210.113594	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-H+HCOOH"	44.998194
"365441"	375.229001	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+HCOOH-H"	44.998201
"350418"	389.244651	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+Hac-H"	59.013851
"1497423"	224.129251	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Hac-H"	59.013851
"960591"	232.095551	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-H+NaCOOH"	66.980151
"123732"	200.084802	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+2Cl"	69.938804
"562561"	282.642502	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+2Cl"	69.938804
"1033909"	117.527102	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2Cl"	69.938804
"1251301"	244.034285	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Br"	78.918885
"1314842"	246.090272	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Cl+HCOOH"	80.974872
"1322495"	268.072229	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Cl+NaCOOH"	102.956829
"917930"	278.100986	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M-H+CF3COOH"	112.985586
"1294638"	314.077664	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Cl+CF3COOH"	148.962264
"1371341"	130.102724	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H-2H2O"	-35.012676
"1389201"	148.1127	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H-H2O"	-17.0027
"285971"	331.238076	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+H"	1.007276
"683502"	496.353476	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+H"	1.007276
"1362038"	166.122676	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H"	1.007276
"131647"	166.122676	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+2H"	2.014552
"576674"	248.680376	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+2H"	2.014552
"1045473"	83.564976	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2H"	2.014552
"211184"	111.084209333333	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+3H"	3.021828
"649650"	166.122676	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+3H"	3.021828
"1168871"	56.0457426666667	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+3H"	3.021828
"436534"	348.264623	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+NH4"	18.033823
"798623"	513.380023	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+NH4"	18.033823
"1690580"	183.149223	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+NH4"	18.033823
"335576"	174.6359495	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+H+NH4"	19.041099
"732370"	257.1936495	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+H+NH4"	19.041099
"1482913"	92.0782495	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H+NH4"	19.041099
"399406"	353.220018	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+Na"	22.989218
"758578"	518.335418	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+Na"	22.989218
"1608500"	188.104618	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Na"	22.989218
"319630"	177.113647	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+H+Na"	23.996494
"716426"	259.671347	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+H+Na"	23.996494
"1470980"	94.555947	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H+Na"	23.996494
"1059121"	63.3730566666667	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2H+Na"	25.00377
"1260797"	198.148886	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+CH3OH+H"	33.033486
"388123"	369.193958	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+K"	38.963158
"746930"	534.309358	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+K"	38.963158
"1552263"	204.078558	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+K"	38.963158
"312360"	185.100617	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+H+K"	39.970434
"705511"	267.658317	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+H+K"	39.970434
"1458600"	102.542917	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H+K"	39.970434
"249999"	372.264626	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+ACN+H"	42.033826
"1223558"	207.149226	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+ACN+H"	42.033826
"1208899"	104.078251	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+ACN+2H"	43.041102
"203599"	375.20196	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+2Na-H"	44.97116
"639873"	540.31736	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+2Na-H"	44.97116
"1145567"	210.08656	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2Na-H"	44.97116
"179381"	188.104618	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+2Na"	45.978436
"625502"	270.662318	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+2Na"	45.978436
"1130102"	105.546918	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2Na"	45.978436
"1412169"	70.7003706666667	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H+2Na"	46.985712
"1443185"	212.128146	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H+HCOOH"	47.012746
"233983"	193.13764	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+3H2O+2H"	56.04448
"1522405"	226.18019	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+IsoProp+H"	61.06479
"422094"	196.091588	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+Na+K"	61.952376
"784181"	278.649288	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+Na+K"	61.952376
"1678691"	113.533888	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Na+K"	61.952376
"263383"	394.246568	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+ACN+Na"	64.015768
"1236091"	229.131168	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+ACN+Na"	64.015768
"1727041"	229.154693	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+NH4+HCOOH"	64.039293
"1190329"	78.0276846666667	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+3Na"	68.967654
"1662418"	234.110088	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Na+HCOOH"	68.994688
"171100"	407.14984	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+2K-H"	76.91904
"608114"	572.26524	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+2K-H"	76.91904
"1098708"	242.03444	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2K-H"	76.91904
"151633"	204.078558	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"2M+2K"	77.926316
"593748"	286.636258	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"3M+2K"	77.926316
"1078987"	121.520858	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2K"	77.926316
"1110371"	244.048992	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2K+H"	78.933592
"1350409"	244.136607	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+DMSO+H"	79.021207
"1016380"	248.175776	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2ACN+H"	83.060376
"1538155"	249.169408	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+IsoProp+Na+H"	84.054008
"1004242"	124.591526	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+2ACN+2H"	84.067652
"1593638"	250.084028	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+K+HCOOH"	84.968628
"1424763"	280.115538	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+H+CF3COOH"	115.000138
"1159425"	145.104801	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+3ACN+2H"	125.094202
"1706790"	297.142085	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+NH4+CF3COOH"	132.026685
"1640252"	302.09748	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+Na+CF3COOH"	136.98208
"1585746"	318.07142	"C01575"	"Ephedrine;(-)-Ephedrine;L-Ephedrine"	"C10H15NO"	"165.1154"	"M+K+CF3COOH"	152.95602
"812831"	588.1843	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M"	0
"988553"	569.16591	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-H2O-H"	-19.01839
"72420"	391.115590666667	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M-3H"	-3.021828
"514168"	587.177024	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M-3H"	-3.021828
"890876"	195.054157333333	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-3H"	-3.021828
"11637"	587.177024	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M-2H"	-2.014552
"446821"	881.269174	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M-2H"	-2.014552
"823531"	293.084874	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-2H"	-2.014552
"92643"	1175.361324	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M-H"	-1.007276
"533300"	1763.545624	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M-H"	-1.007276
"907453"	587.177024	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-H"	-1.007276
"56363"	1192.387871	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M-2H+NH4"	16.019271
"497018"	1780.572171	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M-2H+NH4"	16.019271
"874819"	604.203571	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-2H+NH4"	16.019271
"39438"	1197.343266	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M-2H+Na"	20.974666
"480092"	1785.527566	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M-2H+Na"	20.974666
"856802"	609.158966	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-2H+Na"	20.974666
"1627430"	609.158966	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Na-2H"	20.974666
"109307"	605.165363	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M-H+Cl"	33.962126
"546801"	899.257513	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M-H+Cl"	33.962126
"935939"	311.073213	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-H+Cl"	33.962126
"270121"	1211.338002	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+Cl"	34.969402
"669104"	1799.522302	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+Cl"	34.969402
"1280414"	623.153702	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Cl"	34.969402
"19324"	1213.317206	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M-2H+K"	36.948606
"456198"	1801.501506	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M-2H+K"	36.948606
"846173"	625.132906	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-2H+K"	36.948606
"1566014"	625.132906	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+K-2H"	36.948606
"952803"	633.182494	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-H+HCOOH"	44.998194
"367737"	1221.366801	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+HCOOH-H"	44.998201
"354901"	1235.382451	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+Hac-H"	59.013851
"1494253"	647.198151	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Hac-H"	59.013851
"958671"	655.164451	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-H+NaCOOH"	66.980151
"124692"	623.153702	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+2Cl"	69.938804
"564131"	917.245852	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+2Cl"	69.938804
"1036574"	329.061552	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2Cl"	69.938804
"1255055"	667.103185	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Br"	78.918885
"1314588"	669.159172	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Cl+HCOOH"	80.974872
"1330263"	691.141129	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Cl+NaCOOH"	102.956829
"923509"	701.169886	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M-H+CF3COOH"	112.985586
"1296936"	737.146564	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Cl+CF3COOH"	148.962264
"1372910"	553.171624	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H-2H2O"	-35.012676
"1392591"	571.1816	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H-H2O"	-17.0027
"286081"	1177.375876	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+H"	1.007276
"685798"	1765.560176	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+H"	1.007276
"1363241"	589.191576	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H"	1.007276
"137223"	589.191576	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+2H"	2.014552
"576783"	883.283726	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+2H"	2.014552
"1043393"	295.099426	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2H"	2.014552
"213480"	393.130142666667	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+3H"	3.021828
"648666"	589.191576	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+3H"	3.021828
"1171167"	197.068709333333	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+3H"	3.021828
"437369"	1194.402423	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+NH4"	18.033823
"796546"	1782.586723	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+NH4"	18.033823
"1692875"	606.218123	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+NH4"	18.033823
"334590"	597.7048495	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+H+NH4"	19.041099
"728108"	891.7969995	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+H+NH4"	19.041099
"1480104"	303.6126995	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H+NH4"	19.041099
"400611"	1199.357818	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+Na"	22.989218
"762701"	1787.542118	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+Na"	22.989218
"1611891"	611.173518	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Na"	22.989218
"321930"	600.182547	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+H+Na"	23.996494
"716539"	894.274697	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+H+Na"	23.996494
"1471454"	306.090397	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H+Na"	23.996494
"1063241"	204.396023333333	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2H+Na"	25.00377
"1265282"	621.217786	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+CH3OH+H"	33.033486
"387140"	1215.331758	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+K"	38.963158
"752874"	1803.516058	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+K"	38.963158
"1553835"	627.147458	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+K"	38.963158
"312106"	608.169517	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+H+K"	39.970434
"707068"	902.261667	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+H+K"	39.970434
"1459443"	314.077367	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H+K"	39.970434
"250230"	1218.402426	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+ACN+H"	42.033826
"1224033"	630.218126	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+ACN+H"	42.033826
"1208646"	315.612701	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+ACN+2H"	43.041102
"204116"	1221.33976	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+2Na-H"	44.97116
"641078"	1809.52406	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+2Na-H"	44.97116
"1145677"	633.15546	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2Na-H"	44.97116
"185323"	611.173518	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+2Na"	45.978436
"627964"	905.265668	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+2Na"	45.978436
"1131191"	317.081368	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2Na"	45.978436
"1413130"	211.723337333333	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H+2Na"	46.985712
"1444388"	635.197046	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H+HCOOH"	47.012746
"231897"	616.20654	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+3H2O+2H"	56.04448
"1523121"	649.24909	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+IsoProp+H"	61.06479
"422936"	619.160488	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+Na+K"	61.952376
"785509"	913.252638	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+Na+K"	61.952376
"1680628"	325.068338	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Na+K"	61.952376
"265681"	1240.384368	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+ACN+Na"	64.015768
"1237294"	652.200068	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+ACN+Na"	64.015768
"1727272"	652.223593	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+NH4+HCOOH"	64.039293
"1190439"	219.050651333333	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+3Na"	68.967654
"1663619"	657.178988	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Na+HCOOH"	68.994688
"171940"	1253.28764	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+2K-H"	76.91904
"608587"	1841.47194	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+2K-H"	76.91904
"1097116"	665.10334	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2K-H"	76.91904
"152107"	627.147458	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"2M+2K"	77.926316
"595438"	921.239608	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"3M+2K"	77.926316
"1080190"	333.055308	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2K"	77.926316
"1111574"	667.117892	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2K+H"	78.933592
"1348326"	667.205507	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+DMSO+H"	79.021207
"1016854"	671.244676	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2ACN+H"	83.060376
"1537536"	672.238308	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+IsoProp+Na+H"	84.054008
"1004841"	336.125976	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+2ACN+2H"	84.067652
"1593749"	673.152928	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+K+HCOOH"	84.968628
"1423780"	703.184438	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+H+CF3COOH"	115.000138
"1158442"	356.639251	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+3ACN+2H"	125.094202
"1706900"	720.210985	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+NH4+CF3COOH"	132.026685
"1642549"	725.16638	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+Na+CF3COOH"	136.98208
"1585856"	741.14032	"C01576"	"Etoposide;VP-16"	"C29H32O13"	"588.1843"	"M+K+CF3COOH"	152.95602
"812942"	605.0772	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M"	0
"988541"	586.05881	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-H2O-H"	-19.01839
"76905"	402.377524	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M-3H"	-3.021828
"514280"	604.069924	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M-3H"	-3.021828
"892081"	200.685124	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-3H"	-3.021828
"10655"	604.069924	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M-2H"	-2.014552
"444746"	906.608524	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M-2H"	-2.014552
"829114"	301.531324	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-2H"	-2.014552
"93851"	1209.147124	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M-H"	-1.007276
"533776"	1814.224324	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M-H"	-1.007276
"908662"	604.069924	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-H"	-1.007276
"56477"	1226.173671	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+NH4"	16.019271
"497129"	1831.250871	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+NH4"	16.019271
"871649"	621.096471	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-2H+NH4"	16.019271
"42830"	1231.129066	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+Na"	20.974666
"483485"	1836.206266	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+Na"	20.974666
"859098"	626.051866	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-2H+Na"	20.974666
"1620976"	626.051866	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Na-2H"	20.974666
"100786"	622.058263	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M-H+Cl"	33.962126
"543627"	924.596863	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M-H+Cl"	33.962126
"932768"	319.519663	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-H+Cl"	33.962126
"270231"	1245.123802	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+Cl"	34.969402
"668123"	1850.201002	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+Cl"	34.969402
"1279432"	640.046602	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Cl"	34.969402
"19070"	1247.103006	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+K"	36.948606
"470306"	1852.180206	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+K"	36.948606
"844825"	642.025806	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-2H+K"	36.948606
"1567219"	642.025806	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+K-2H"	36.948606
"951821"	650.075394	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-H+HCOOH"	44.998194
"368942"	1255.152601	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+HCOOH-H"	44.998201
"352824"	1269.168251	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+Hac-H"	59.013851
"1496187"	664.091051	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Hac-H"	59.013851
"973096"	672.057351	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-H+NaCOOH"	66.980151
"124680"	640.046602	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+2Cl"	69.938804
"565173"	942.585202	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+2Cl"	69.938804
"1034129"	337.508002	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2Cl"	69.938804
"1250426"	683.996085	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Br"	78.918885
"1312876"	686.052072	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+HCOOH"	80.974872
"1325999"	708.034029	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+NaCOOH"	102.956829
"921433"	718.062786	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M-H+CF3COOH"	112.985586
"1298140"	754.039464	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+CF3COOH"	148.962264
"1371927"	570.064524	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H-2H2O"	-35.012676
"1390518"	588.0745	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H-H2O"	-17.0027
"292395"	1211.161676	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+H"	1.007276
"688100"	1816.238876	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+H"	1.007276
"1361165"	606.084476	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H"	1.007276
"134052"	606.084476	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+2H"	2.014552
"575799"	908.623076	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+2H"	2.014552
"1043506"	303.545876	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2H"	2.014552
"213594"	404.392076	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+3H"	3.021828
"654249"	606.084476	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+3H"	3.021828
"1170202"	202.699676	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+3H"	3.021828
"433470"	1228.188223	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+NH4"	18.033823
"797745"	1833.265423	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+NH4"	18.033823
"1690797"	623.111023	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+NH4"	18.033823
"336160"	614.5977495	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+H+NH4"	19.041099
"725297"	917.1363495	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+H+NH4"	19.041099
"1482042"	312.0591495	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H+NH4"	19.041099
"399627"	1233.143618	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+Na"	22.989218
"759532"	1838.220818	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+Na"	22.989218
"1608724"	628.066418	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Na"	22.989218
"319853"	617.075447	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+H+Na"	23.996494
"713370"	919.614047	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+H+Na"	23.996494
"1472654"	314.536847	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H+Na"	23.996494
"1063713"	210.02699	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2H+Na"	25.00377
"1267579"	638.110686	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+CH3OH+H"	33.033486
"386155"	1249.117558	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+K"	38.963158
"749339"	1854.194758	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+K"	38.963158
"1552486"	644.040358	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+K"	38.963158
"312582"	625.062417	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+H+K"	39.970434
"702085"	927.601017	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+H+K"	39.970434
"1456998"	322.523817	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H+K"	39.970434
"245601"	1252.188226	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+H"	42.033826
"1223655"	647.111026	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+H"	42.033826
"1208511"	324.059151	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+2H"	43.041102
"196159"	1255.12556	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na-H"	44.97116
"634263"	1860.20276	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na-H"	44.97116
"1137404"	650.04836	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2Na-H"	44.97116
"185796"	628.066418	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na"	45.978436
"626087"	930.605018	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na"	45.978436
"1131018"	325.527818	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2Na"	45.978436
"1414136"	217.354304	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H+2Na"	46.985712
"1444996"	652.089946	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H+HCOOH"	47.012746
"234208"	633.09944	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+3H2O+2H"	56.04448
"1522635"	666.14199	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+H"	61.06479
"422321"	636.053388	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+Na+K"	61.952376
"784534"	938.591988	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+Na+K"	61.952376
"1680857"	333.514788	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Na+K"	61.952376
"266647"	1274.170168	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+Na"	64.015768
"1239596"	669.092968	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+Na"	64.015768
"1725928"	669.116493	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+HCOOH"	64.039293
"1193921"	224.681618	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+3Na"	68.967654
"1662635"	674.071888	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Na+HCOOH"	68.994688
"171695"	1287.07344	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+2K-H"	76.91904
"611258"	1892.15064	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+2K-H"	76.91904
"1095404"	681.99624	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2K-H"	76.91904
"154775"	644.040358	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"2M+2K"	77.926316
"591416"	946.578958	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"3M+2K"	77.926316
"1080667"	341.501758	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2K"	77.926316
"1114974"	684.010792	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2K+H"	78.933592
"1351115"	684.098407	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+DMSO+H"	79.021207
"1017703"	688.137576	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+H"	83.060376
"1532909"	689.131208	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+Na+H"	84.054008
"990969"	344.572426	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+2H"	84.067652
"1592764"	690.045828	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+K+HCOOH"	84.968628
"1422799"	720.077338	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+H+CF3COOH"	115.000138
"1158552"	365.085701	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+3ACN+2H"	125.094202
"1703730"	737.103885	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+CF3COOH"	132.026685
"1646672"	742.05928	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+Na+CF3COOH"	136.98208
"1579406"	758.03322	"C01581"	"GDPhexose"	"C16H25N5O16P2"	"605.0772"	"M+K+CF3COOH"	152.95602
"813052"	180.0634	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M"	0
"989502"	161.04501	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"75922"	119.034990666667	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"514390"	179.056124	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"892556"	59.0138573333333	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"7485"	179.056124	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444856"	269.087824	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"830441"	89.024424	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"93232"	359.119524	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"532427"	539.182924	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"904398"	179.056124	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"53305"	376.146071	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"491771"	556.209471	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"866046"	196.082671	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"37472"	381.101466	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"473753"	561.164866	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"851552"	201.038066	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1621085"	201.038066	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"100896"	197.044463	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"542644"	287.076163	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"931785"	107.012763	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"269612"	395.096202	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"660570"	575.159602	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1273082"	215.032802	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"19180"	397.075406	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"469324"	577.138806	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"846029"	217.012006	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1565143"	217.012006	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"951931"	225.061594	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"370145"	405.125001	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351841"	419.140651	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1494839"	239.077251	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"973328"	247.043551	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"124789"	215.032802	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"565402"	305.064502	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1035333"	125.001102	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1248349"	258.982285	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1311892"	261.038272	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1330483"	283.020229	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"922636"	293.048986	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1299344"	329.025664	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1373131"	145.050724	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1390628"	163.0607	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"294691"	361.134076	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"684928"	541.197476	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1360180"	181.070676	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"135255"	181.070676	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"573722"	271.102376	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1045802"	91.038976	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"213704"	121.049542666667	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"654359"	181.070676	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1168126"	61.0284093333333	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"434673"	378.160623	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"796762"	558.224023	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1691998"	198.097223	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"336999"	189.5839495	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"724315"	279.6156495	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1482151"	99.5522495	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"399739"	383.116018	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"759641"	563.179418	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1607741"	203.052618	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"321055"	192.061647	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"713480"	282.093347	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1471671"	102.029947	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1062366"	68.3557233333333	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1264408"	213.096886	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"386265"	399.089958	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"749449"	579.153358	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1552596"	219.026558	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"311960"	200.048617	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"696727"	290.080317	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1457108"	110.016917	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"247535"	402.160626	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1223766"	222.097226	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1208742"	111.552251	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"197362"	405.09796	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"634738"	585.16136	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1140429"	225.03456	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"185542"	203.052618	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"625833"	293.084318	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1128620"	113.020918	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1414044"	75.6830373333333	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1444379"	227.076146	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"233226"	208.08564	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1521652"	241.12819	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"422795"	211.039588	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"784159"	301.071288	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1680360"	121.007888	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265908"	424.142568	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1237886"	244.079168	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1723855"	244.102693	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1192492"	83.0103513333333	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1661288"	249.058088	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"170712"	437.04584	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"609180"	617.10924	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1094784"	256.98244	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"156098"	219.026558	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"594077"	309.058258	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1080775"	128.994858	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1114718"	258.996992	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1350860"	259.084607	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1018542"	263.123776	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1536300"	264.117408	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"992903"	132.065526	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1591783"	265.032028	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1422910"	295.063538	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1159756"	152.578801	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1707120"	312.090085	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1646782"	317.04548	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1579516"	333.01942	"C01582"	"Galactose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"813162"	116.0837	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M"	0
"988761"	97.06531	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-H2O-H"	-19.01839
"77125"	76.3818573333333	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M-3H"	-3.021828
"512313"	115.076424	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M-3H"	-3.021828
"893394"	37.6872906666667	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-3H"	-3.021828
"7595"	115.076424	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M-2H"	-2.014552
"444966"	173.118274	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M-2H"	-2.014552
"831521"	57.034574	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-2H"	-2.014552
"92489"	231.160124	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M-H"	-1.007276
"532170"	347.243824	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M-H"	-1.007276
"909245"	115.076424	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-H"	-1.007276
"50499"	248.186671	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M-2H+NH4"	16.019271
"491881"	364.270371	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M-2H+NH4"	16.019271
"866401"	132.102971	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-2H+NH4"	16.019271
"34302"	253.142066	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M-2H+Na"	20.974666
"473863"	369.225766	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M-2H+Na"	20.974666
"852755"	137.058366	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-2H+Na"	20.974666
"1620100"	137.058366	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Na-2H"	20.974666
"101007"	133.064763	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M-H+Cl"	33.962126
"542754"	191.106613	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M-H+Cl"	33.962126
"934082"	75.022913	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-H+Cl"	33.962126
"270451"	267.136802	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+Cl"	34.969402
"660232"	383.220502	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+Cl"	34.969402
"1274042"	151.053102	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Cl"	34.969402
"18926"	269.116006	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M-2H+K"	36.948606
"468337"	385.199706	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M-2H+K"	36.948606
"846139"	153.032306	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-2H+K"	36.948606
"1561972"	153.032306	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+K-2H"	36.948606
"946573"	161.081894	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-H+HCOOH"	44.998194
"366974"	277.165601	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+HCOOH-H"	44.998201
"353043"	291.181251	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+Hac-H"	59.013851
"1495314"	175.097551	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Hac-H"	59.013851
"973316"	183.063851	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-H+NaCOOH"	66.980151
"125383"	151.053102	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+2Cl"	69.938804
"565428"	209.094952	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+2Cl"	69.938804
"1035442"	93.011252	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2Cl"	69.938804
"1247366"	195.002585	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Br"	78.918885
"1312002"	197.058572	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Cl+HCOOH"	80.974872
"1329499"	219.040529	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Cl+NaCOOH"	102.956829
"919464"	229.069286	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M-H+CF3COOH"	112.985586
"1297268"	265.045964	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Cl+CF3COOH"	148.962264
"1373241"	81.071024	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H-2H2O"	-35.012676
"1390738"	99.081	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H-H2O"	-17.0027
"294802"	233.174676	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+H"	1.007276
"682851"	349.258376	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+H"	1.007276
"1357010"	117.090976	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H"	1.007276
"134272"	117.090976	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+2H"	2.014552
"574925"	175.132826	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+2H"	2.014552
"1045911"	59.049126	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2H"	2.014552
"212721"	78.3964093333333	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+3H"	3.021828
"654469"	117.090976	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+3H"	3.021828
"1171515"	39.7018426666667	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+3H"	3.021828
"436968"	250.201223	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+NH4"	18.033823
"796872"	366.284923	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+NH4"	18.033823
"1692108"	134.117523	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+NH4"	18.033823
"338202"	125.6042495	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+H+NH4"	19.041099
"724789"	183.6460995	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+H+NH4"	19.041099
"1478617"	67.5623995	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H+NH4"	19.041099
"397663"	255.156618	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+Na"	22.989218
"756836"	371.240318	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+Na"	22.989218
"1607851"	139.072918	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Na"	22.989218
"316795"	128.081947	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+H+Na"	23.996494
"708852"	186.123797	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+H+Na"	23.996494
"1468503"	70.040097	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H+Na"	23.996494
"1061747"	47.0291566666667	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2H+Na"	25.00377
"1261238"	149.117186	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+CH3OH+H"	33.033486
"385282"	271.130558	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+K"	38.963158
"747373"	387.214258	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+K"	38.963158
"1549426"	155.046858	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+K"	38.963158
"310612"	136.068917	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+H+K"	39.970434
"701212"	194.110767	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+H+K"	39.970434
"1455032"	78.027067	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H+K"	39.970434
"248011"	274.201226	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+ACN+H"	42.033826
"1220716"	158.117526	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+ACN+H"	42.033826
"1205693"	79.562401	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+ACN+2H"	43.041102
"197472"	277.13856	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+2Na-H"	44.97116
"633754"	393.22226	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+2Na-H"	44.97116
"1144186"	161.05486	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2Na-H"	44.97116
"185651"	139.072918	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+2Na"	45.978436
"625580"	197.114768	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+2Na"	45.978436
"1130062"	81.031068	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2Na"	45.978436
"1412853"	54.3564706666667	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H+2Na"	46.985712
"1444609"	163.096446	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H+HCOOH"	47.012746
"235029"	144.10594	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+3H2O+2H"	56.04448
"1522370"	177.14849	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+IsoProp+H"	61.06479
"422783"	147.059888	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+Na+K"	61.952376
"784145"	205.101738	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+Na+K"	61.952376
"1680471"	89.018038	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Na+K"	61.952376
"265898"	296.183168	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+ACN+Na"	64.015768
"1240544"	180.099468	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+ACN+Na"	64.015768
"1725785"	180.122993	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+NH4+HCOOH"	64.039293
"1191507"	61.6837846666667	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+3Na"	68.967654
"1663585"	185.078388	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Na+HCOOH"	68.994688
"169727"	309.08644	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+2K-H"	76.91904
"610020"	425.17014	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+2K-H"	76.91904
"1094894"	193.00274	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2K-H"	76.91904
"156209"	155.046858	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"2M+2K"	77.926316
"594917"	213.088708	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"3M+2K"	77.926316
"1081249"	97.005008	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2K"	77.926316
"1114954"	195.017292	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2K+H"	78.933592
"1347564"	195.104907	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+DMSO+H"	79.021207
"1020842"	199.144076	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2ACN+H"	83.060376
"1539569"	200.137708	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+IsoProp+Na+H"	84.054008
"996297"	100.075676	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+2ACN+2H"	84.067652
"1600276"	201.052328	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+K+HCOOH"	84.968628
"1424111"	231.083838	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+H+CF3COOH"	115.000138
"1159866"	120.588951	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+3ACN+2H"	125.094202
"1703950"	248.110385	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+NH4+CF3COOH"	132.026685
"1643976"	253.06578	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+Na+CF3COOH"	136.98208
"1576346"	269.03972	"C01585"	"Hexanoic acid;Hexanoate;Hexylic acid;n-Caproic acid"	"C6H12O2"	"116.0837"	"M+K+CF3COOH"	152.95602
"812179"	179.0582	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M"	0
"988992"	160.03981	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-H2O-H"	-19.01839
"75048"	118.364857333333	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M-3H"	-3.021828
"514609"	178.050924	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M-3H"	-3.021828
"888036"	58.6787906666667	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-3H"	-3.021828
"7705"	178.050924	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M-2H"	-2.014552
"445076"	267.580024	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M-2H"	-2.014552
"832770"	88.521824	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-2H"	-2.014552
"94019"	357.109124	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M-H"	-1.007276
"531917"	536.167324	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M-H"	-1.007276
"910449"	178.050924	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-H"	-1.007276
"51702"	374.135671	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M-2H+NH4"	16.019271
"491991"	553.193871	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M-2H+NH4"	16.019271
"866874"	195.077471	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-2H+NH4"	16.019271
"36599"	379.091066	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M-2H+Na"	20.974666
"474094"	558.149266	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M-2H+Na"	20.974666
"852865"	200.032866	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-2H+Na"	20.974666
"1622398"	200.032866	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Na-2H"	20.974666
"101117"	196.039263	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M-H+Cl"	33.962126
"542864"	285.568363	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M-H+Cl"	33.962126
"934192"	106.510163	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-H+Cl"	33.962126
"270561"	393.085802	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+Cl"	34.969402
"661887"	572.144002	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+Cl"	34.969402
"1273221"	214.027602	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Cl"	34.969402
"18671"	395.065006	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M-2H+K"	36.948606
"468447"	574.123206	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M-2H+K"	36.948606
"846615"	216.006806	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-2H+K"	36.948606
"1563175"	216.006806	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+K-2H"	36.948606
"946683"	224.056394	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-H+HCOOH"	44.998194
"368177"	403.114601	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+HCOOH-H"	44.998201
"353153"	417.130251	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+Hac-H"	59.013851
"1495424"	238.072051	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Hac-H"	59.013851
"974036"	246.038351	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-H+NaCOOH"	66.980151
"125616"	214.027602	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+2Cl"	69.938804
"565499"	303.556702	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+2Cl"	69.938804
"1032272"	124.498502	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2Cl"	69.938804
"1255131"	257.977085	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Br"	78.918885
"1315392"	260.033072	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Cl+HCOOH"	80.974872
"1329609"	282.015029	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Cl+NaCOOH"	102.956829
"922854"	292.043786	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M-H+CF3COOH"	112.985586
"1294098"	328.020464	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Cl+CF3COOH"	148.962264
"1372258"	144.045524	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H-2H2O"	-35.012676
"1385380"	162.0555	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H-H2O"	-17.0027
"294911"	359.123676	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+H"	1.007276
"686241"	538.181876	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+H"	1.007276
"1356027"	180.065476	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H"	1.007276
"133289"	180.065476	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+2H"	2.014552
"570662"	269.594576	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+2H"	2.014552
"1041648"	90.536376	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2H"	2.014552
"207362"	120.379409333333	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+3H"	3.021828
"653486"	180.065476	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+3H"	3.021828
"1174903"	60.6933426666667	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+3H"	3.021828
"437078"	376.150223	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+NH4"	18.033823
"798077"	555.208423	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+NH4"	18.033823
"1693311"	197.092023	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+NH4"	18.033823
"342686"	188.5787495	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+H+NH4"	19.041099
"724534"	278.1078495	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+H+NH4"	19.041099
"1479820"	99.0496495	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H+NH4"	19.041099
"401052"	381.105618	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+Na"	22.989218
"758769"	560.163818	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+Na"	22.989218
"1607960"	202.047418	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Na"	22.989218
"319091"	191.056447	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+H+Na"	23.996494
"711514"	280.585547	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+H+Na"	23.996494
"1466425"	101.527347	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H+Na"	23.996494
"1056752"	68.0206566666667	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2H+Na"	25.00377
"1259525"	212.091686	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+CH3OH+H"	33.033486
"385392"	397.079558	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+K"	38.963158
"748577"	576.137758	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+K"	38.963158
"1551723"	218.021358	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+K"	38.963158
"311085"	199.043417	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+H+K"	39.970434
"699135"	288.572517	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+H+K"	39.970434
"1457330"	109.514317	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H+K"	39.970434
"244839"	400.150226	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+ACN+H"	42.033826
"1221919"	221.092026	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+ACN+H"	42.033826
"1203616"	111.049651	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+ACN+2H"	43.041102
"198677"	403.08756	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+2Na-H"	44.97116
"633864"	582.14576	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+2Na-H"	44.97116
"1141743"	224.02936	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2Na-H"	44.97116
"187714"	202.047418	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+2Na"	45.978436
"625324"	291.576518	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+2Na"	45.978436
"1130533"	112.518318	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2Na"	45.978436
"1413292"	75.3479706666667	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H+2Na"	46.985712
"1444356"	226.070946	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H+HCOOH"	47.012746
"234782"	207.08044	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+3H2O+2H"	56.04448
"1522965"	240.12299	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+IsoProp+H"	61.06479
"422287"	210.034388	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+Na+K"	61.952376
"784496"	299.563488	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+Na+K"	61.952376
"1680339"	120.505288	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Na+K"	61.952376
"266128"	422.132168	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+ACN+Na"	64.015768
"1239199"	243.073968	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+ACN+Na"	64.015768
"1726261"	243.097493	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+NH4+HCOOH"	64.039293
"1192712"	82.6752846666667	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+3Na"	68.967654
"1662967"	248.052888	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Na+HCOOH"	68.994688
"171660"	435.03544	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+2K-H"	76.91904
"609400"	614.09364	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+2K-H"	76.91904
"1097557"	255.97724	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2K-H"	76.91904
"155101"	218.021358	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"2M+2K"	77.926316
"594662"	307.550458	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"3M+2K"	77.926316
"1080266"	128.492258	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2K"	77.926316
"1115187"	257.991792	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2K+H"	78.933592
"1346580"	258.079407	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+DMSO+H"	79.021207
"1020827"	262.118576	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2ACN+H"	83.060376
"1539075"	263.112208	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+IsoProp+Na+H"	84.054008
"999686"	131.562926	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+2ACN+2H"	84.067652
"1602088"	264.026828	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+K+HCOOH"	84.968628
"1427503"	294.058338	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+H+CF3COOH"	115.000138
"1157789"	152.076201	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+3ACN+2H"	125.094202
"1705153"	311.084885	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+NH4+CF3COOH"	132.026685
"1644086"	316.04028	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+Na+CF3COOH"	136.98208
"1579736"	332.01422	"C01586"	"Hippurate;Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid"	"C9H9NO3"	"179.0582"	"M+K+CF3COOH"	152.95602
"812289"	206.1307	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M"	0
"989102"	187.11231	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-H2O-H"	-19.01839
"72971"	136.413190666667	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M-3H"	-3.021828
"514719"	205.123424	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M-3H"	-3.021828
"888146"	67.7029573333333	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-3H"	-3.021828
"7815"	205.123424	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M-2H"	-2.014552
"445186"	308.188774	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M-2H"	-2.014552
"831742"	102.058074	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-2H"	-2.014552
"93887"	411.254124	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M-H"	-1.007276
"532514"	617.384824	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M-H"	-1.007276
"910317"	205.123424	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-H"	-1.007276
"60197"	428.280671	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M-2H+NH4"	16.019271
"492466"	634.411371	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M-2H+NH4"	16.019271
"869902"	222.149971	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-2H+NH4"	16.019271
"35736"	433.236066	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M-2H+Na"	20.974666
"474204"	639.366766	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M-2H+Na"	20.974666
"850910"	227.105366	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-2H+Na"	20.974666
"1619834"	227.105366	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Na-2H"	20.974666
"101227"	223.111763	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M-H+Cl"	33.962126
"542974"	326.177113	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M-H+Cl"	33.962126
"931022"	120.046413	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-H+Cl"	33.962126
"269942"	447.230802	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+Cl"	34.969402
"662361"	653.361502	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+Cl"	34.969402
"1273791"	241.100102	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Cl"	34.969402
"19145"	449.210006	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M-2H+K"	36.948606
"467464"	655.340706	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M-2H+K"	36.948606
"846359"	243.079306	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-2H+K"	36.948606
"1562192"	243.079306	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+K-2H"	36.948606
"946792"	251.128894	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-H+HCOOH"	44.998194
"365007"	457.259601	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+HCOOH-H"	44.998201
"353263"	471.275251	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+Hac-H"	59.013851
"1495534"	265.144551	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Hac-H"	59.013851
"972562"	273.110851	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-H+NaCOOH"	66.980151
"125116"	241.100102	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+2Cl"	69.938804
"564311"	344.165452	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+2Cl"	69.938804
"1033111"	138.034752	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2Cl"	69.938804
"1255241"	285.049585	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Br"	78.918885
"1318418"	287.105572	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Cl+HCOOH"	80.974872
"1334457"	309.087529	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Cl+NaCOOH"	102.956829
"925516"	319.116286	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M-H+CF3COOH"	112.985586
"1293114"	355.092964	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Cl+CF3COOH"	148.962264
"1373461"	171.118024	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H-2H2O"	-35.012676
"1386583"	189.128	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H-H2O"	-17.0027
"293927"	413.268676	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+H"	1.007276
"686347"	619.399376	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+H"	1.007276
"1358324"	207.137976	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H"	1.007276
"136679"	207.137976	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+2H"	2.014552
"571866"	310.203326	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+2H"	2.014552
"1042852"	104.072626	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2H"	2.014552
"207836"	138.427742666667	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+3H"	3.021828
"653960"	207.137976	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+3H"	3.021828
"1175011"	69.7175093333333	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+3H"	3.021828
"436824"	430.295223	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+NH4"	18.033823
"798553"	636.425923	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+NH4"	18.033823
"1692332"	224.164523	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+NH4"	18.033823
"338424"	215.6512495	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+H+NH4"	19.041099
"723918"	318.7165995	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+H+NH4"	19.041099
"1479928"	112.5858995	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H+NH4"	19.041099
"398975"	435.250618	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+Na"	22.989218
"757784"	641.381318	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+Na"	22.989218
"1606977"	229.119918	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Na"	22.989218
"318471"	218.128947	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+H+Na"	23.996494
"710530"	321.194297	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+H+Na"	23.996494
"1464712"	115.063597	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H+Na"	23.996494
"1057591"	77.0448233333333	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2H+Na"	25.00377
"1258906"	239.164186	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+CH3OH+H"	33.033486
"378208"	451.224558	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+K"	38.963158
"747592"	657.355258	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+K"	38.963158
"1550738"	245.093858	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+K"	38.963158
"309008"	226.115917	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+H+K"	39.970434
"699242"	329.181267	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+H+K"	39.970434
"1453063"	123.050567	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H+K"	39.970434
"247133"	454.295226	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+ACN+H"	42.033826
"1220935"	248.164526	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+ACN+H"	42.033826
"1199351"	124.585901	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+ACN+2H"	43.041102
"196596"	457.23256	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+2Na-H"	44.97116
"638348"	663.36326	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+2Na-H"	44.97116
"1140758"	251.10186	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2Na-H"	44.97116
"188144"	229.119918	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+2Na"	45.978436
"627144"	332.185268	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+2Na"	45.978436
"1129301"	126.054568	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2Na"	45.978436
"1413435"	84.3721373333333	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H+2Na"	46.985712
"1445071"	253.143446	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H+HCOOH"	47.012746
"235133"	234.15294	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+3H2O+2H"	56.04448
"1523072"	267.19549	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+IsoProp+H"	61.06479
"423124"	237.106888	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+Na+K"	61.952376
"783755"	340.172238	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+Na+K"	61.952376
"1680569"	134.041538	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Na+K"	61.952376
"266685"	476.277168	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+ACN+Na"	64.015768
"1240400"	270.146468	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+ACN+Na"	64.015768
"1725641"	270.169993	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+NH4+HCOOH"	64.039293
"1192456"	91.6994513333333	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+3Na"	68.967654
"1661983"	275.125388	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Na+HCOOH"	68.994688
"170920"	489.18044	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+2K-H"	76.91904
"610603"	695.31114	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+2K-H"	76.91904
"1099367"	283.04974	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2K-H"	76.91904
"156429"	245.093858	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"2M+2K"	77.926316
"595623"	348.159208	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"3M+2K"	77.926316
"1081105"	142.028508	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2K"	77.926316
"1114927"	285.064292	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2K+H"	78.933592
"1347781"	285.151907	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+DMSO+H"	79.021207
"1018501"	289.191076	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2ACN+H"	83.060376
"1539182"	290.184708	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+IsoProp+Na+H"	84.054008
"1000890"	145.099176	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+2ACN+2H"	84.067652
"1601957"	291.099328	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+K+HCOOH"	84.968628
"1427612"	321.130838	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+H+CF3COOH"	115.000138
"1158992"	165.612451	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+3ACN+2H"	125.094202
"1706357"	338.157385	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+NH4+CF3COOH"	132.026685
"1644196"	343.11278	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+Na+CF3COOH"	136.98208
"1579846"	359.08672	"C01588"	"Ibuprofen"	"C13H18O2"	"206.1307"	"M+K+CF3COOH"	152.95602
"813492"	68.0374	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M"	0
"989091"	49.01901	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-H2O-H"	-19.01839
"73081"	44.3509906666667	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M-3H"	-3.021828
"514829"	67.030124	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M-3H"	-3.021828
"888256"	21.6718573333333	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-3H"	-3.021828
"9018"	67.030124	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M-2H"	-2.014552
"448576"	101.048824	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M-2H"	-2.014552
"831851"	33.011424	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-2H"	-2.014552
"94205"	135.067524	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M-H"	-1.007276
"534043"	203.104924	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M-H"	-1.007276
"909208"	67.030124	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-H"	-1.007276
"60066"	152.094071	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M-2H+NH4"	16.019271
"492576"	220.131471	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M-2H+NH4"	16.019271
"873292"	84.056671	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-2H+NH4"	16.019271
"37912"	157.049466	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M-2H+Na"	20.974666
"474191"	225.086866	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M-2H+Na"	20.974666
"853086"	89.012066	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-2H+Na"	20.974666
"1620067"	89.012066	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Na-2H"	20.974666
"102430"	85.018463	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M-H+Cl"	33.962126
"540898"	119.037163	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M-H+Cl"	33.962126
"928946"	50.999763	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-H+Cl"	33.962126
"268349"	171.044202	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+Cl"	34.969402
"661012"	239.081602	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+Cl"	34.969402
"1272864"	103.006802	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Cl"	34.969402
"17066"	173.023406	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M-2H+K"	36.948606
"468667"	241.060806	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M-2H+K"	36.948606
"847563"	104.986006	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-2H+K"	36.948606
"1563395"	104.986006	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+K-2H"	36.948606
"954557"	113.035594	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-H+HCOOH"	44.998194
"370584"	181.073001	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+HCOOH-H"	44.998201
"354466"	195.088651	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+Hac-H"	59.013851
"1494550"	127.051251	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Hac-H"	59.013851
"971579"	135.017551	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-H+NaCOOH"	66.980151
"125185"	103.006802	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+2Cl"	69.938804
"564421"	137.025502	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+2Cl"	69.938804
"1036626"	68.988102	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2Cl"	69.938804
"1254257"	146.956285	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Br"	78.918885
"1318893"	149.012272	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Cl+HCOOH"	80.974872
"1334851"	170.994229	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Cl+NaCOOH"	102.956829
"924167"	181.022986	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M-H+CF3COOH"	112.985586
"1293224"	216.999664	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Cl+CF3COOH"	148.962264
"1373570"	33.024724	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H-2H2O"	-35.012676
"1387786"	51.0347	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H-H2O"	-17.0027
"297317"	137.082076	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+H"	1.007276
"685364"	205.119476	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+H"	1.007276
"1361712"	69.044676	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H"	1.007276
"137883"	69.044676	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+2H"	2.014552
"574162"	103.063376	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+2H"	2.014552
"1042959"	35.025976	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2H"	2.014552
"209769"	46.3655426666667	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+3H"	3.021828
"654799"	69.044676	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+3H"	3.021828
"1175849"	23.6864093333333	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+3H"	3.021828
"432923"	154.108623	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+NH4"	18.033823
"801174"	222.146023	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+NH4"	18.033823
"1694628"	86.071223	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+NH4"	18.033823
"339626"	77.5579495	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+H+NH4"	19.041099
"732047"	111.5766495	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+H+NH4"	19.041099
"1482591"	43.5392495	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H+NH4"	19.041099
"397991"	159.064018	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+Na"	22.989218
"758990"	227.101418	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+Na"	22.989218
"1610366"	91.026618	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Na"	22.989218
"318580"	80.035647	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+H+Na"	23.996494
"709909"	114.054347	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+H+Na"	23.996494
"1467739"	46.016947	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H+Na"	23.996494
"1060984"	31.0137233333333	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2H+Na"	25.00377
"1259746"	101.070886	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+CH3OH+H"	33.033486
"377711"	175.037958	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+K"	38.963158
"743328"	243.075358	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+K"	38.963158
"1543558"	107.000558	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+K"	38.963158
"305839"	88.022617	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+H+K"	39.970434
"700447"	122.041317	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+H+K"	39.970434
"1455360"	54.003917	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H+K"	39.970434
"247243"	178.108626	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+ACN+H"	42.033826
"1219952"	110.071226	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+ACN+H"	42.033826
"1201648"	55.539251	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+ACN+2H"	43.041102
"195614"	181.04596	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+2Na-H"	44.97116
"641737"	249.08336	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+2Na-H"	44.97116
"1140868"	113.00856	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2Na-H"	44.97116
"188443"	91.026618	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+2Na"	45.978436
"628465"	125.045318	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+2Na"	45.978436
"1127224"	57.007918	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2Na"	45.978436
"1413828"	38.3410373333333	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H+2Na"	46.985712
"1445227"	115.050146	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H+HCOOH"	47.012746
"235583"	96.05964	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+3H2O+2H"	56.04448
"1524018"	129.10219	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+IsoProp+H"	61.06479
"424129"	99.013588	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+Na+K"	61.952376
"784582"	133.032288	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+Na+K"	61.952376
"1681287"	64.994888	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Na+K"	61.952376
"266912"	200.090568	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+ACN+Na"	64.015768
"1239779"	132.053168	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+ACN+Na"	64.015768
"1727569"	132.076693	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+NH4+HCOOH"	64.039293
"1191835"	45.6683513333333	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+3Na"	68.967654
"1662822"	137.032088	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Na+HCOOH"	68.994688
"172531"	212.99384	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+2K-H"	76.91904
"612418"	281.03124	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+2K-H"	76.91904
"1099481"	144.95644	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2K-H"	76.91904
"156418"	107.000558	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"2M+2K"	77.926316
"595733"	141.019258	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"3M+2K"	77.926316
"1082309"	72.981858	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2K"	77.926316
"1114915"	146.970992	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2K+H"	78.933592
"1347891"	147.058607	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+DMSO+H"	79.021207
"1020434"	151.097776	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2ACN+H"	83.060376
"1539538"	152.091408	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+IsoProp+Na+H"	84.054008
"999907"	76.052526	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+2ACN+2H"	84.067652
"1601943"	153.006028	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+K+HCOOH"	84.968628
"1429424"	183.037538	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+H+CF3COOH"	115.000138
"1161289"	96.565801	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+3ACN+2H"	125.094202
"1706467"	200.064085	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+NH4+CF3COOH"	132.026685
"1642119"	205.01948	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+Na+CF3COOH"	136.98208
"1576676"	220.99342	"C01589"	"Imidazole;Glyoxaline;13-Diazole"	"C3H4N2"	"68.0374"	"M+K+CF3COOH"	152.95602
"813602"	356.126	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M"	0
"988229"	337.10761	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-H2O-H"	-19.01839
"69911"	236.410057333333	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M-3H"	-3.021828
"510565"	355.118724	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M-3H"	-3.021828
"885085"	117.701390666667	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-3H"	-3.021828
"2566"	355.118724	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M-2H"	-2.014552
"443218"	533.181724	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M-2H"	-2.014552
"827585"	177.055724	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-2H"	-2.014552
"92686"	711.244724	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M-H"	-1.007276
"533097"	1067.370724	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M-H"	-1.007276
"910657"	355.118724	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-H"	-1.007276
"59325"	728.271271	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M-2H+NH4"	16.019271
"495602"	1084.397271	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M-2H+NH4"	16.019271
"872309"	372.145271	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-2H+NH4"	16.019271
"36929"	733.226666	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M-2H+Na"	20.974666
"473208"	1089.352666	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M-2H+Na"	20.974666
"850644"	377.100666	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-2H+Na"	20.974666
"1618757"	377.100666	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Na-2H"	20.974666
"102540"	373.107063	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M-H+Cl"	33.962126
"541008"	551.170063	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M-H+Cl"	33.962126
"927963"	195.044063	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-H+Cl"	33.962126
"267730"	747.221402	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+Cl"	34.969402
"660634"	1103.347402	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+Cl"	34.969402
"1272754"	391.095402	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Cl"	34.969402
"16446"	749.200606	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M-2H+K"	36.948606
"469506"	1105.326606	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M-2H+K"	36.948606
"846580"	393.074606	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-2H+K"	36.948606
"1562411"	393.074606	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+K-2H"	36.948606
"949200"	401.124194	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-H+HCOOH"	44.998194
"366320"	757.250201	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+HCOOH-H"	44.998201
"351296"	771.265851	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+Hac-H"	59.013851
"1494660"	415.139851	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Hac-H"	59.013851
"963303"	423.106151	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-H+NaCOOH"	66.980151
"123149"	391.095402	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+2Cl"	69.938804
"563801"	569.158402	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+2Cl"	69.938804
"1034426"	213.032402	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2Cl"	69.938804
"1252180"	435.044885	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Br"	78.918885
"1317544"	437.100872	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Cl+HCOOH"	80.974872
"1331030"	459.082829	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Cl+NaCOOH"	102.956829
"917717"	469.111586	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M-H+CF3COOH"	112.985586
"1292240"	505.088264	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Cl+CF3COOH"	148.962264
"1369307"	321.113324	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H-2H2O"	-35.012676
"1383524"	339.1233	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H-H2O"	-17.0027
"295970"	713.259276	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+H"	1.007276
"682194"	1069.385276	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+H"	1.007276
"1359635"	357.133276	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H"	1.007276
"134713"	357.133276	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+2H"	2.014552
"570993"	535.196276	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+2H"	2.014552
"1040518"	179.070276	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2H"	2.014552
"209879"	238.424609333333	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+3H"	3.021828
"654908"	357.133276	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+3H"	3.021828
"1173040"	119.715942666667	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+3H"	3.021828
"437408"	730.285823	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+NH4"	18.033823
"799134"	1086.411823	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+NH4"	18.033823
"1692551"	374.159823	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+NH4"	18.033823
"339736"	365.6465495	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+H+NH4"	19.041099
"727785"	543.7095495	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+H+NH4"	19.041099
"1478200"	187.5835495	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H+NH4"	19.041099
"394206"	735.241218	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+Na"	22.989218
"756906"	1091.367218	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+Na"	22.989218
"1604153"	379.115218	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Na"	22.989218
"315529"	368.124247	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+H+Na"	23.996494
"710747"	546.187247	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+H+Na"	23.996494
"1461560"	190.061247	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H+Na"	23.996494
"1052979"	127.043256666667	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2H+Na"	25.00377
"1257788"	389.159486	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+CH3OH+H"	33.033486
"378066"	751.215158	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+K"	38.963158
"745627"	1107.341158	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+K"	38.963158
"1548772"	395.089158	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+K"	38.963158
"303398"	376.111217	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+H+K"	39.970434
"699462"	554.174217	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+H+K"	39.970434
"1454376"	198.048217	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H+K"	39.970434
"248447"	754.285826	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+ACN+H"	42.033826
"1221155"	398.159826	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+ACN+H"	42.033826
"1201758"	199.583551	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+ACN+2H"	43.041102
"193537"	757.22316	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+2Na-H"	44.97116
"634194"	1113.34916	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+2Na-H"	44.97116
"1140978"	401.09716	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2Na-H"	44.97116
"188530"	379.115218	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+2Na"	45.978436
"627108"	557.178218	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+2Na"	45.978436
"1130493"	201.052218	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2Na"	45.978436
"1413573"	134.370570666667	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H+2Na"	46.985712
"1445526"	403.138746	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H+HCOOH"	47.012746
"235593"	384.14824	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+3H2O+2H"	56.04448
"1522196"	417.19079	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+IsoProp+H"	61.06479
"424170"	387.102188	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+Na+K"	61.952376
"785057"	565.165188	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+Na+K"	61.952376
"1679567"	209.039188	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Na+K"	61.952376
"264630"	776.267768	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+ACN+Na"	64.015768
"1240255"	420.141768	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+ACN+Na"	64.015768
"1727319"	420.165293	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+NH4+HCOOH"	64.039293
"1191578"	141.697884666667	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+3Na"	68.967654
"1660744"	425.120688	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Na+HCOOH"	68.994688
"172111"	789.17104	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+2K-H"	76.91904
"612746"	1145.29704	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+2K-H"	76.91904
"1099632"	433.04504	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2K-H"	76.91904
"156972"	395.089158	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"2M+2K"	77.926316
"596532"	573.152158	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"3M+2K"	77.926316
"1082540"	217.026158	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2K"	77.926316
"1114294"	435.059592	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2K+H"	78.933592
"1348001"	435.147207	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+DMSO+H"	79.021207
"1017990"	439.186376	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2ACN+H"	83.060376
"1539568"	440.180008	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+IsoProp+Na+H"	84.054008
"1003296"	220.096826	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+2ACN+2H"	84.067652
"1602053"	441.094628	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+K+HCOOH"	84.968628
"1429833"	471.126138	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+H+CF3COOH"	115.000138
"1162730"	240.610101	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+3ACN+2H"	125.094202
"1707670"	488.152685	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+NH4+CF3COOH"	132.026685
"1642229"	493.10808	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+Na+CF3COOH"	136.98208
"1576786"	509.08202	"C01590"	"Kievitone"	"C20H20O6"	"356.126"	"M+K+CF3COOH"	152.95602
"812619"	426.2955	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M"	0
"988947"	407.27711	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-H2O-H"	-19.01839
"70021"	283.189724	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M-3H"	-3.021828
"507395"	425.288224	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M-3H"	-3.021828
"883008"	141.091224	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-3H"	-3.021828
"3770"	425.288224	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M-2H"	-2.014552
"441142"	638.435974	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M-2H"	-2.014552
"824415"	212.140474	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-2H"	-2.014552
"89511"	851.583724	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M-H"	-1.007276
"531989"	1277.879224	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M-H"	-1.007276
"910525"	425.288224	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-H"	-1.007276
"57248"	868.610271	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M-2H+NH4"	16.019271
"494620"	1294.905771	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M-2H+NH4"	16.019271
"870233"	442.314771	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-2H+NH4"	16.019271
"35217"	873.565666	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M-2H+Na"	20.974666
"473317"	1299.861166	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M-2H+Na"	20.974666
"855496"	447.270166	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-2H+Na"	20.974666
"1629403"	447.270166	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Na-2H"	20.974666
"102654"	443.276563	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M-H+Cl"	33.962126
"540027"	656.424313	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M-H+Cl"	33.962126
"931351"	230.128813	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-H+Cl"	33.962126
"268203"	887.560402	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+Cl"	34.969402
"661961"	1313.855902	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+Cl"	34.969402
"1274727"	461.264902	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Cl"	34.969402
"18015"	889.539606	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M-2H+K"	36.948606
"468886"	1315.835106	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M-2H+K"	36.948606
"844502"	463.244106	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-2H+K"	36.948606
"1562523"	463.244106	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+K-2H"	36.948606
"946031"	471.293694	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-H+HCOOH"	44.998194
"363514"	897.589201	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+HCOOH-H"	44.998201
"347398"	911.604851	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+Hac-H"	59.013851
"1494041"	485.309351	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Hac-H"	59.013851
"963413"	493.275651	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-H+NaCOOH"	66.980151
"123988"	461.264902	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+2Cl"	69.938804
"563547"	674.412652	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+2Cl"	69.938804
"1034900"	248.117152	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2Cl"	69.938804
"1249010"	505.214385	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Br"	78.918885
"1318018"	507.270372	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Cl+HCOOH"	80.974872
"1333327"	529.252329	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Cl+NaCOOH"	102.956829
"914547"	539.281086	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M-H+CF3COOH"	112.985586
"1292350"	575.257764	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Cl+CF3COOH"	148.962264
"1368445"	391.282824	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H-2H2O"	-35.012676
"1383634"	409.2928	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H-H2O"	-17.0027
"296080"	853.598276	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+H"	1.007276
"683397"	1279.893776	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+H"	1.007276
"1358652"	427.302776	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H"	1.007276
"135916"	427.302776	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+2H"	2.014552
"572196"	640.450526	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+2H"	2.014552
"1038807"	214.155026	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2H"	2.014552
"208165"	285.204276	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+3H"	3.021828
"648457"	427.302776	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+3H"	3.021828
"1169865"	143.105776	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+3H"	3.021828
"435331"	870.624823	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+NH4"	18.033823
"795232"	1296.920323	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+NH4"	18.033823
"1695941"	444.329323	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+NH4"	18.033823
"343125"	435.8160495	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+H+NH4"	19.041099
"727895"	648.9637995	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+H+NH4"	19.041099
"1480622"	222.6682995	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H+NH4"	19.041099
"394198"	875.580218	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+Na"	22.989218
"755923"	1301.875718	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+Na"	22.989218
"1606209"	449.284718	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Na"	22.989218
"317340"	438.293747	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+H+Na"	23.996494
"713043"	651.441497	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+H+Na"	23.996494
"1461674"	225.145997	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H+Na"	23.996494
"1052806"	150.43309	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2H+Na"	25.00377
"1261057"	459.328986	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+CH3OH+H"	33.033486
"377363"	891.554158	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+K"	38.963158
"751933"	1317.849658	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+K"	38.963158
"1553985"	465.258658	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+K"	38.963158
"304967"	446.280717	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+H+K"	39.970434
"700666"	659.428467	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+H+K"	39.970434
"1454487"	233.132967	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H+K"	39.970434
"245277"	894.624826	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+ACN+H"	42.033826
"1219080"	468.329326	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+ACN+H"	42.033826
"1198952"	234.668301	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+ACN+2H"	43.041102
"192551"	897.56216	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+2Na-H"	44.97116
"638676"	1323.85766	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+2Na-H"	44.97116
"1141087"	471.26666	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2Na-H"	44.97116
"187418"	449.284718	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+2Na"	45.978436
"627829"	662.432468	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+2Na"	45.978436
"1128175"	236.136968	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2Na"	45.978436
"1408779"	157.760404	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H+2Na"	46.985712
"1444913"	473.308246	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H+HCOOH"	47.012746
"234973"	454.31774	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+3H2O+2H"	56.04448
"1523399"	487.36029	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+IsoProp+H"	61.06479
"423084"	457.271688	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+Na+K"	61.952376
"784439"	670.419438	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+Na+K"	61.952376
"1678949"	244.123938	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Na+K"	61.952376
"264376"	916.606768	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+ACN+Na"	64.015768
"1239638"	490.311268	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+ACN+Na"	64.015768
"1726336"	490.334793	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+NH4+HCOOH"	64.039293
"1188043"	165.087718	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+3Na"	68.967654
"1661219"	495.290188	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Na+HCOOH"	68.994688
"172549"	929.51004	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+2K-H"	76.91904
"612595"	1355.80554	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+2K-H"	76.91904
"1099888"	503.21454	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2K-H"	76.91904
"156150"	465.258658	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"2M+2K"	77.926316
"594006"	678.406408	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"3M+2K"	77.926316
"1082529"	252.110908	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2K"	77.926316
"1111730"	505.229092	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2K+H"	78.933592
"1347747"	505.316707	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+DMSO+H"	79.021207
"1016641"	509.355876	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2ACN+H"	83.060376
"1539729"	510.349508	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+IsoProp+Na+H"	84.054008
"1002313"	255.181576	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+2ACN+2H"	84.067652
"1602626"	511.264128	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+K+HCOOH"	84.968628
"1429869"	541.295638	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+H+CF3COOH"	115.000138
"1162731"	275.694851	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+3ACN+2H"	125.094202
"1707780"	558.322185	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+NH4+CF3COOH"	132.026685
"1642339"	563.27758	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+Na+CF3COOH"	136.98208
"1576896"	579.25152	"C01591"	"Leupeptin"	"C20H38N6O4"	"426.2955"	"M+K+CF3COOH"	152.95602
"812729"	272.0685	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M"	0
"989542"	253.05011	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"70131"	180.371724	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"508598"	271.061224	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"884211"	89.682224	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"3880"	271.061224	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"442345"	407.095474	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"824525"	135.026974	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"89985"	543.129724	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"532826"	815.198224	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"907350"	271.061224	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"55171"	560.156271	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"491814"	832.224771	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"870343"	288.087771	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"36420"	565.111666	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"473548"	837.180166	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"850867"	293.043166	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1623317"	293.043166	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"101671"	289.049563	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"540137"	425.083813	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"932555"	153.015313	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"269286"	579.106402	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"663893"	851.174902	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1275566"	307.037902	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"20311"	581.085606	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"467538"	853.154106	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"844612"	309.017106	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1562633"	309.017106	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"947234"	317.066694	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"367634"	589.135201	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"347143"	603.150851	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1493544"	331.082351	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"967896"	339.048651	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"120087"	307.037902	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"560740"	443.072152	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1031731"	171.003652	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1253130"	350.987385	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1315940"	353.043372	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1333316"	375.025329	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"915749"	385.054086	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1290029"	421.030764	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1368676"	237.055824	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1383865"	255.0658	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"295097"	545.144276	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"681321"	817.212776	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1358762"	273.075776	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"133839"	273.075776	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"570119"	409.110026	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1040738"	137.041526	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"206816"	182.386276	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"648567"	273.075776	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1168882"	91.696776	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"429973"	562.170823	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"792063"	834.239323	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1694231"	290.102323	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"341782"	281.5890495	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"728007"	417.6232995	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1482921"	145.5547995	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"395037"	567.126218	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"758220"	839.194718	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1605227"	295.057718	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"317450"	284.066747	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"715705"	420.100997	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1462599"	148.032497	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1056209"	99.02409	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1261167"	305.101986	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"380838"	583.100158	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"753138"	855.168658	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1552273"	311.031658	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"305077"	292.053717	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"702599"	428.087967	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1456786"	156.019467	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"246480"	586.170826	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1223201"	314.102326	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1199426"	157.554801	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"193756"	589.10816	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"638786"	861.17666	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1144113"	317.03966	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"185946"	295.057718	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"626239"	431.091968	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1128285"	159.023468	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1409982"	106.351404	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1444291"	319.081246	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"233625"	300.09074	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1523145"	333.13329	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"423802"	303.044688	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"782728"	439.078938	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1676509"	167.010438	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"263029"	608.152768	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1237925"	336.084268	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1726082"	336.107793	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1188153"	113.678718	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1661693"	341.063188	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"172821"	621.05604	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"612584"	893.12454	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1097499"	348.98754	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"156748"	311.031658	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"594116"	447.065908	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1075347"	174.997408	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1109650"	351.002092	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1344942"	351.089707	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1015658"	355.128876	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1539136"	356.122508	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1002422"	178.068076	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1602272"	357.037128	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1429757"	387.068638	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1160525"	198.581351	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1704610"	404.095185	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1643542"	409.05058	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1577006"	425.02452	"C01592"	"Licodione"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"810652"	506.2152	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M"	0
"989903"	487.19681	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-H2O-H"	-19.01839
"70241"	336.469524	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M-3H"	-3.021828
"510895"	505.207924	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M-3H"	-3.021828
"882863"	167.731124	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-3H"	-3.021828
"3990"	505.207924	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M-2H"	-2.014552
"447922"	758.315524	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M-2H"	-2.014552
"827915"	252.100324	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-2H"	-2.014552
"90095"	1011.423124	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M-H"	-1.007276
"532936"	1517.638324	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M-H"	-1.007276
"909282"	505.207924	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-H"	-1.007276
"59655"	1028.449671	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M-2H+NH4"	16.019271
"495934"	1534.664871	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M-2H+NH4"	16.019271
"872640"	522.234471	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-2H+NH4"	16.019271
"37624"	1033.405066	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M-2H+Na"	20.974666
"475725"	1539.620266	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M-2H+Na"	20.974666
"855716"	527.189866	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-2H+Na"	20.974666
"1623063"	527.189866	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Na-2H"	20.974666
"101781"	523.196263	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M-H+Cl"	33.962126
"540247"	776.303863	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M-H+Cl"	33.962126
"932665"	270.088663	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-H+Cl"	33.962126
"272313"	1047.399802	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+Cl"	34.969402
"665096"	1553.615002	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+Cl"	34.969402
"1276041"	541.184602	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Cl"	34.969402
"18966"	1049.379006	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M-2H+K"	36.948606
"465825"	1555.594206	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M-2H+K"	36.948606
"844722"	543.163806	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-2H+K"	36.948606
"1562743"	543.163806	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+K-2H"	36.948606
"950624"	551.213394	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-H+HCOOH"	44.998194
"368837"	1057.428601	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+HCOOH-H"	44.998201
"348346"	1071.444251	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+Hac-H"	59.013851
"1498272"	565.229051	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Hac-H"	59.013851
"966912"	573.195351	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-H+NaCOOH"	66.980151
"120197"	541.184602	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+2Cl"	69.938804
"559756"	794.292202	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+2Cl"	69.938804
"1031841"	288.077002	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2Cl"	69.938804
"1250324"	585.134085	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Br"	78.918885
"1315687"	587.190072	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Cl+HCOOH"	80.974872
"1332089"	609.172029	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Cl+NaCOOH"	102.956829
"920233"	619.200786	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M-H+CF3COOH"	112.985586
"1292931"	655.177464	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Cl+CF3COOH"	148.962264
"1371091"	471.202524	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H-2H2O"	-35.012676
"1384948"	489.2125	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H-H2O"	-17.0027
"285728"	1013.437676	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+H"	1.007276
"684710"	1519.652876	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+H"	1.007276
"1358872"	507.222476	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H"	1.007276
"132856"	507.222476	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+2H"	2.014552
"574603"	760.330076	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+2H"	2.014552
"1041577"	254.114876	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2H"	2.014552
"208019"	338.484076	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+3H"	3.021828
"654144"	507.222476	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+3H"	3.021828
"1171183"	169.745676	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+3H"	3.021828
"430082"	1030.464223	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+NH4"	18.033823
"789984"	1536.679423	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+NH4"	18.033823
"1696164"	524.249023	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+NH4"	18.033823
"344078"	515.7357495	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+H+NH4"	19.041099
"731396"	768.8433495	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+H+NH4"	19.041099
"1487403"	262.6281495	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H+NH4"	19.041099
"395148"	1035.419618	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+Na"	22.989218
"760517"	1541.634818	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+Na"	22.989218
"1608617"	529.204418	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Na"	22.989218
"321935"	518.213447	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+H+Na"	23.996494
"713262"	771.321047	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+H+Na"	23.996494
"1470363"	265.105847	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H+Na"	23.996494
"1059236"	177.07299	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2H+Na"	25.00377
"1266382"	539.248686	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+CH3OH+H"	33.033486
"382771"	1051.393558	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+K"	38.963158
"752154"	1557.608758	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+K"	38.963158
"1553112"	545.178358	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+K"	38.963158
"306279"	526.200417	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+H+K"	39.970434
"702709"	779.308017	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+H+K"	39.970434
"1458718"	273.092817	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H+K"	39.970434
"247320"	1054.464226	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+ACN+H"	42.033826
"1221121"	548.249026	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+ACN+H"	42.033826
"1200994"	274.628151	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+ACN+2H"	43.041102
"194960"	1057.40156	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+2Na-H"	44.97116
"640719"	1563.61676	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+2Na-H"	44.97116
"1145200"	551.18636	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2Na-H"	44.97116
"185332"	529.204418	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+2Na"	45.978436
"624892"	782.312018	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+2Na"	45.978436
"1129123"	276.096818	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2Na"	45.978436
"1410092"	184.400304	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H+2Na"	46.985712
"1444767"	553.227946	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H+HCOOH"	47.012746
"234100"	534.23744	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+3H2O+2H"	56.04448
"1520704"	567.27999	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+IsoProp+H"	61.06479
"418932"	537.191388	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+Na+K"	61.952376
"783807"	790.298988	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+Na+K"	61.952376
"1678442"	284.083788	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Na+K"	61.952376
"264962"	1076.446168	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+ACN+Na"	64.015768
"1237670"	570.230968	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+ACN+Na"	64.015768
"1723276"	570.254493	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+NH4+HCOOH"	64.039293
"1188262"	191.727618	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+3Na"	68.967654
"1661439"	575.209888	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Na+HCOOH"	68.994688
"170498"	1089.34944	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+2K-H"	76.91904
"612004"	1595.56464	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+2K-H"	76.91904
"1097488"	583.13424	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2K-H"	76.91904
"155398"	545.178358	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"2M+2K"	77.926316
"593133"	798.285958	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"3M+2K"	77.926316
"1077643"	292.070758	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2K"	77.926316
"1109760"	585.148792	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2K+H"	78.933592
"1347238"	585.236407	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+DMSO+H"	79.021207
"1015768"	589.275576	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2ACN+H"	83.060376
"1539654"	590.269208	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+IsoProp+Na+H"	84.054008
"1000346"	295.141426	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+2ACN+2H"	84.067652
"1601410"	591.183828	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+K+HCOOH"	84.968628
"1429621"	621.215338	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+H+CF3COOH"	115.000138
"1157355"	315.654701	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+3ACN+2H"	125.094202
"1702533"	638.241885	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+NH4+CF3COOH"	132.026685
"1644746"	643.19728	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+Na+CF3COOH"	136.98208
"1580396"	659.17122	"C01593"	"Limonoate"	"C26H34O10"	"506.2152"	"M+K+CF3COOH"	152.95602
"810762"	247.1056	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M"	0
"989034"	228.08721	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-H2O-H"	-19.01839
"70351"	163.729790666667	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M-3H"	-3.021828
"511005"	246.098324	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M-3H"	-3.021828
"883338"	81.3612573333333	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-3H"	-3.021828
"4100"	246.098324	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M-2H"	-2.014552
"445845"	369.651124	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M-2H"	-2.014552
"828025"	122.545524	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-2H"	-2.014552
"90205"	493.203924	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M-H"	-1.007276
"530859"	740.309524	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M-H"	-1.007276
"906476"	246.098324	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-H"	-1.007276
"60858"	510.230471	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M-2H+NH4"	16.019271
"493857"	757.336071	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M-2H+NH4"	16.019271
"869470"	263.124871	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-2H+NH4"	16.019271
"37370"	515.185866	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M-2H+Na"	20.974666
"475106"	762.291466	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M-2H+Na"	20.974666
"852546"	268.080266	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-2H+Na"	20.974666
"1623173"	268.080266	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Na-2H"	20.974666
"101891"	264.086663	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M-H+Cl"	33.962126
"540357"	387.639463	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M-H+Cl"	33.962126
"930587"	140.533863	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-H+Cl"	33.962126
"274609"	529.180602	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+Cl"	34.969402
"664478"	776.286202	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+Cl"	34.969402
"1277244"	282.075002	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Cl"	34.969402
"19805"	531.159806	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M-2H+K"	36.948606
"465935"	778.265406	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M-2H+K"	36.948606
"844832"	284.054206	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-2H+K"	36.948606
"1562853"	284.054206	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+K-2H"	36.948606
"950734"	292.103794	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-H+HCOOH"	44.998194
"367854"	539.209401	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+HCOOH-H"	44.998201
"347363"	553.225051	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+Hac-H"	59.013851
"1500569"	306.119451	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Hac-H"	59.013851
"959243"	314.085751	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-H+NaCOOH"	66.980151
"121400"	282.075002	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+2Cl"	69.938804
"559866"	405.627802	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+2Cl"	69.938804
"1033044"	158.522202	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2Cl"	69.938804
"1251527"	326.024485	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Br"	78.918885
"1316161"	328.080472	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Cl+HCOOH"	80.974872
"1332199"	350.062429	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Cl+NaCOOH"	102.956829
"918156"	360.091186	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M-H+CF3COOH"	112.985586
"1293770"	396.067864	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Cl+CF3COOH"	148.962264
"1370837"	212.092924	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H-2H2O"	-35.012676
"1385058"	230.1029	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H-H2O"	-17.0027
"285838"	495.218476	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+H"	1.007276
"682633"	742.324076	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+H"	1.007276
"1355702"	248.112876	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H"	1.007276
"134059"	248.112876	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+2H"	2.014552
"572890"	371.665676	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+2H"	2.014552
"1041687"	124.560076	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2H"	2.014552
"208129"	165.744342666667	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+3H"	3.021828
"650244"	248.112876	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+3H"	3.021828
"1171291"	83.3758093333333	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+3H"	3.021828
"429095"	512.245023	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+NH4"	18.033823
"792278"	759.350623	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+NH4"	18.033823
"1684235"	265.139423	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+NH4"	18.033823
"332877"	256.6261495	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+H+NH4"	19.041099
"733688"	380.1789495	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+H+NH4"	19.041099
"1484233"	133.0733495	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H+NH4"	19.041099
"394527"	517.200418	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+Na"	22.989218
"757347"	764.306018	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+Na"	22.989218
"1604473"	270.094818	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Na"	22.989218
"319857"	259.103847	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+H+Na"	23.996494
"708388"	382.656647	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+H+Na"	23.996494
"1470473"	135.551047	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H+Na"	23.996494
"1062626"	90.7031233333333	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2H+Na"	25.00377
"1262117"	280.139086	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+CH3OH+H"	33.033486
"381788"	533.174358	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+K"	38.963158
"749348"	780.279958	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+K"	38.963158
"1552129"	286.068758	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+K"	38.963158
"306388"	267.090817	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+H+K"	39.970434
"702820"	390.643617	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+H+K"	39.970434
"1455912"	143.538017	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H+K"	39.970434
"244514"	536.245026	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+ACN+H"	42.033826
"1220501"	289.139426	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+ACN+H"	42.033826
"1198187"	145.073351	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+ACN+2H"	43.041102
"195433"	539.18236	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+2Na-H"	44.97116
"637910"	786.28796	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+2Na-H"	44.97116
"1144332"	292.07676	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2Na-H"	44.97116
"187138"	270.094818	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+2Na"	45.978436
"626819"	393.647618	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+2Na"	45.978436
"1126678"	146.542018	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2Na"	45.978436
"1408014"	98.0304373333333	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H+2Na"	46.985712
"1442690"	294.118346	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H+HCOOH"	47.012746
"232751"	275.12784	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+3H2O+2H"	56.04448
"1522269"	308.17039	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+IsoProp+H"	61.06479
"420497"	278.081788	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+Na+K"	61.952376
"781852"	401.634588	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+Na+K"	61.952376
"1679276"	154.528988	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Na+K"	61.952376
"264701"	558.226968	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+ACN+Na"	64.015768
"1237410"	311.121368	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+ACN+Na"	64.015768
"1721921"	311.144893	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+NH4+HCOOH"	64.039293
"1187275"	105.357751333333	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+3Na"	68.967654
"1658996"	316.100288	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Na+HCOOH"	68.994688
"168417"	571.13024	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+2K-H"	76.91904
"609072"	818.23584	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+2K-H"	76.91904
"1094680"	324.02464	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2K-H"	76.91904
"151497"	286.068758	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"2M+2K"	77.926316
"593243"	409.621558	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"3M+2K"	77.926316
"1077753"	162.515958	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2K"	77.926316
"1110963"	326.039192	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2K+H"	78.933592
"1347348"	326.126807	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+DMSO+H"	79.021207
"1014783"	330.165976	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2ACN+H"	83.060376
"1536556"	331.159608	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+IsoProp+Na+H"	84.054008
"1001548"	165.586626	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+2ACN+2H"	84.067652
"1599331"	332.074228	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+K+HCOOH"	84.968628
"1423896"	362.105738	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+H+CF3COOH"	115.000138
"1155276"	186.099901	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+3ACN+2H"	125.094202
"1708109"	379.132285	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+NH4+CF3COOH"	132.026685
"1634363"	384.08768	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+Na+CF3COOH"	136.98208
"1571879"	400.06162	"C01594"	"Linamarin;Phaseolunatin"	"C10H17NO6"	"247.1056"	"M+K+CF3COOH"	152.95602
"814152"	280.2402	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M"	0
"989147"	261.22181	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H2O-H"	-19.01839
"67181"	185.819524	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-3H"	-3.021828
"511115"	279.232924	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-3H"	-3.021828
"883448"	92.406124	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-3H"	-3.021828
"6396"	279.232924	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H"	-2.014552
"444863"	419.353024	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H"	-2.014552
"824855"	139.112824	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H"	-2.014552
"89222"	559.473124	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-H"	-1.007276
"527692"	839.713324	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-H"	-1.007276
"907679"	279.232924	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H"	-1.007276
"50029"	576.499671	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H+NH4"	16.019271
"499432"	856.739871	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H+NH4"	16.019271
"868121"	296.259471	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H+NH4"	16.019271
"34927"	581.455066	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H+Na"	20.974666
"475580"	861.695266	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H+Na"	20.974666
"853020"	301.214866	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H+Na"	20.974666
"1626563"	301.214866	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na-2H"	20.974666
"103095"	297.221263	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-H+Cl"	33.962126
"540467"	437.341363	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-H+Cl"	33.962126
"929604"	157.101163	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+Cl"	33.962126
"271076"	595.449802	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Cl"	34.969402
"663130"	875.690002	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+Cl"	34.969402
"1275167"	315.209602	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl"	34.969402
"22107"	597.429006	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H+K"	36.948606
"467141"	877.669206	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H+K"	36.948606
"846036"	317.188806	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H+K"	36.948606
"1564055"	317.188806	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K-2H"	36.948606
"948656"	325.238394	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+HCOOH"	44.998194
"365778"	605.478601	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+HCOOH-H"	44.998201
"351849"	619.494251	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Hac-H"	59.013851
"1496306"	339.254051	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Hac-H"	59.013851
"959718"	347.220351	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+NaCOOH"	66.980151
"121509"	315.209602	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2Cl"	69.938804
"563256"	455.329702	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2Cl"	69.938804
"1032058"	175.089502	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2Cl"	69.938804
"1253822"	359.159085	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Br"	78.918885
"1315177"	361.215072	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl+HCOOH"	80.974872
"1332673"	383.197029	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl+NaCOOH"	102.956829
"920453"	393.225786	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+CF3COOH"	112.985586
"1293881"	429.202464	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl+CF3COOH"	148.962264
"1369852"	245.227524	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H-2H2O"	-35.012676
"1385168"	263.2375	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H-H2O"	-17.0027
"289228"	561.487676	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H"	1.007276
"682743"	841.727876	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H"	1.007276
"1356905"	281.247476	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H"	1.007276
"134169"	281.247476	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2H"	2.014552
"571543"	421.367576	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2H"	2.014552
"1041068"	141.127376	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2H"	2.014552
"209697"	187.834076	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+3H"	3.021828
"649261"	281.247476	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+3H"	3.021828
"1170306"	94.420676	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+3H"	3.021828
"428112"	578.514223	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+NH4"	18.033823
"792388"	858.754423	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+NH4"	18.033823
"1683252"	298.274023	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+NH4"	18.033823
"333716"	289.7607495	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H+NH4"	19.041099
"733798"	429.8808495	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H+NH4"	19.041099
"1483250"	149.6406495	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+NH4"	19.041099
"394273"	583.469618	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Na"	22.989218
"755271"	863.709818	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+Na"	22.989218
"1603490"	303.229418	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na"	22.989218
"319967"	292.238447	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H+Na"	23.996494
"709471"	432.358547	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H+Na"	23.996494
"1469490"	152.118347	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+Na"	23.996494
"1060549"	101.74799	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2H+Na"	25.00377
"1266600"	313.273686	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+CH3OH+H"	33.033486
"381898"	599.443558	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+K"	38.963158
"750917"	879.683758	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+K"	38.963158
"1551876"	319.203358	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K"	38.963158
"307592"	300.225417	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H+K"	39.970434
"701837"	440.345517	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H+K"	39.970434
"1457115"	160.105317	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+K"	39.970434
"244623"	602.514226	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+ACN+H"	42.033826
"1220611"	322.274026	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+ACN+H"	42.033826
"1198297"	161.640651	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+ACN+2H"	43.041102
"194085"	605.45156	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2Na-H"	44.97116
"638020"	885.69176	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2Na-H"	44.97116
"1142255"	325.21136	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2Na-H"	44.97116
"186520"	303.229418	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2Na"	45.978436
"626200"	443.349518	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2Na"	45.978436
"1124601"	163.109318	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2Na"	45.978436
"1408124"	109.075304	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+2Na"	46.985712
"1442434"	327.252946	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+HCOOH"	47.012746
"231039"	308.26244	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+3H2O+2H"	56.04448
"1521287"	341.30499	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+H"	61.06479
"420972"	311.216388	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Na+K"	61.952376
"781598"	451.336488	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+Na+K"	61.952376
"1678294"	171.096288	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na+K"	61.952376
"263355"	624.496168	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+ACN+Na"	64.015768
"1237156"	344.255968	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+ACN+Na"	64.015768
"1722760"	344.279493	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+NH4+HCOOH"	64.039293
"1188477"	116.402618	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+3Na"	68.967654
"1658742"	349.234888	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na+HCOOH"	68.994688
"165247"	637.39944	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2K-H"	76.91904
"609182"	917.63964	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2K-H"	76.91904
"1094790"	357.15924	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2K-H"	76.91904
"152700"	319.203358	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2K"	77.926316
"594446"	459.323458	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2K"	77.926316
"1077863"	179.083258	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2K"	77.926316
"1109980"	359.173792	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2K+H"	78.933592
"1346365"	359.261407	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+DMSO+H"	79.021207
"1013800"	363.300576	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2ACN+H"	83.060376
"1537394"	364.294208	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+Na+H"	84.054008
"1002751"	182.153926	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2ACN+2H"	84.067652
"1597253"	365.208828	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K+HCOOH"	84.968628
"1424006"	395.240338	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+CF3COOH"	115.000138
"1155386"	202.667201	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+3ACN+2H"	125.094202
"1708219"	412.266885	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+NH4+CF3COOH"	132.026685
"1634758"	417.22228	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na+CF3COOH"	136.98208
"1571868"	433.19622	"C01595"	"Linoleate;Linoleic acid;(9Z12Z)-Octadecadienoic acid;9-cis12-cis-Octadecadienoate;9-cis12-cis-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K+CF3COOH"	152.95602
"814262"	115.0269	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M"	0
"989606"	96.00851	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-H2O-H"	-19.01839
"67291"	75.677324	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M-3H"	-3.021828
"510131"	114.019624	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M-3H"	-3.021828
"884651"	37.335024	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-3H"	-3.021828
"5413"	114.019624	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M-2H"	-2.014552
"444973"	171.533074	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M-2H"	-2.014552
"824965"	56.506174	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-2H"	-2.014552
"89332"	229.046524	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M-H"	-1.007276
"528895"	344.073424	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M-H"	-1.007276
"908761"	114.019624	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-H"	-1.007276
"50503"	246.073071	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M-2H+NH4"	16.019271
"495168"	361.099971	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M-2H+NH4"	16.019271
"869690"	131.046171	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-2H+NH4"	16.019271
"35765"	251.028466	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M-2H+Na"	20.974666
"475690"	366.055366	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M-2H+Na"	20.974666
"853130"	136.001566	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-2H+Na"	20.974666
"1620838"	136.001566	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Na-2H"	20.974666
"101019"	132.007963	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M-H+Cl"	33.962126
"537297"	189.521413	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M-H+Cl"	33.962126
"929348"	74.494513	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-H+Cl"	33.962126
"270456"	265.023202	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+Cl"	34.969402
"663239"	380.050102	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+Cl"	34.969402
"1276373"	149.996302	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Cl"	34.969402
"20029"	267.002406	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M-2H+K"	36.948606
"467251"	382.029306	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M-2H+K"	36.948606
"842866"	151.975506	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-2H+K"	36.948606
"1558698"	151.975506	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+K-2H"	36.948606
"945486"	160.025094	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-H+HCOOH"	44.998194
"362119"	275.052001	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+HCOOH-H"	44.998201
"350866"	289.067651	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+Hac-H"	59.013851
"1494229"	174.040751	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Hac-H"	59.013851
"959343"	182.007051	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-H+NaCOOH"	66.980151
"119431"	149.996302	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+2Cl"	69.938804
"564095"	207.509752	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+2Cl"	69.938804
"1033261"	92.482852	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2Cl"	69.938804
"1255025"	193.945785	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Br"	78.918885
"1312007"	196.001772	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Cl+HCOOH"	80.974872
"1332783"	217.983729	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Cl+NaCOOH"	102.956829
"922746"	228.012486	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M-H+CF3COOH"	112.985586
"1292898"	263.989164	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Cl+CF3COOH"	148.962264
"1369962"	80.014224	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H-2H2O"	-35.012676
"1385278"	98.0242	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H-H2O"	-17.0027
"286058"	231.061076	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+H"	1.007276
"682853"	346.087976	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+H"	1.007276
"1354829"	116.034176	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H"	1.007276
"134279"	116.034176	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+2H"	2.014552
"571653"	173.547626	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+2H"	2.014552
"1041178"	58.520726	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2H"	2.014552
"209442"	77.691876	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+3H"	3.021828
"650099"	116.034176	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+3H"	3.021828
"1169323"	39.349576	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+3H"	3.021828
"427857"	248.087623	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+NH4"	18.033823
"792498"	363.114523	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+NH4"	18.033823
"1684819"	133.060723	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+NH4"	18.033823
"336012"	124.5474495	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+H+NH4"	19.041099
"731722"	182.0608995	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+H+NH4"	19.041099
"1480080"	67.0339995	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H+NH4"	19.041099
"393652"	253.043018	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+Na"	22.989218
"754652"	368.069918	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+Na"	22.989218
"1604571"	138.016118	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Na"	22.989218
"316798"	127.025147	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+H+Na"	23.996494
"707758"	184.538597	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+H+Na"	23.996494
"1467413"	69.511697	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H+Na"	23.996494
"1055191"	46.67689	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2H+Na"	25.00377
"1263431"	148.060386	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+CH3OH+H"	33.033486
"383101"	269.016958	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+K"	38.963158
"749569"	384.043858	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+K"	38.963158
"1550527"	153.990058	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+K"	38.963158
"307703"	135.012117	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+H+K"	39.970434
"701581"	192.525567	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+H+K"	39.970434
"1455037"	77.498667	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H+K"	39.970434
"242545"	272.087626	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+ACN+H"	42.033826
"1216348"	157.060726	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+ACN+H"	42.033826
"1197314"	79.034001	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+ACN+2H"	43.041102
"193465"	275.02496	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+2Na-H"	44.97116
"633756"	390.05186	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+2Na-H"	44.97116
"1140542"	159.99806	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2Na-H"	44.97116
"177635"	138.016118	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+2Na"	45.978436
"624486"	195.529568	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+2Na"	45.978436
"1124711"	80.502668	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2Na"	45.978436
"1404954"	54.004204	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H+2Na"	46.985712
"1437069"	162.039646	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H+HCOOH"	47.012746
"227860"	143.04914	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+3H2O+2H"	56.04448
"1522488"	176.09169	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+IsoProp+H"	61.06479
"422175"	146.003088	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+Na+K"	61.952376
"778792"	203.516538	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+Na+K"	61.952376
"1678403"	88.489638	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Na+K"	61.952376
"262734"	294.069568	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+ACN+Na"	64.015768
"1236536"	179.042668	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+ACN+Na"	64.015768
"1722141"	179.066193	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+NH4+HCOOH"	64.039293
"1187494"	61.331518	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+3Na"	68.967654
"1658486"	184.021588	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Na+HCOOH"	68.994688
"165357"	306.97284	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+2K-H"	76.91904
"608928"	421.99974	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+2K-H"	76.91904
"1095993"	191.94594	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2K-H"	76.91904
"154996"	153.990058	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"2M+2K"	77.926316
"595528"	211.503508	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"3M+2K"	77.926316
"1075786"	96.476608	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2K"	77.926316
"1111183"	193.960492	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2K+H"	78.933592
"1345381"	194.048107	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+DMSO+H"	79.021207
"1015003"	198.087276	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2ACN+H"	83.060376
"1536411"	199.080908	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+IsoProp+Na+H"	84.054008
"1003954"	99.547276	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+2ACN+2H"	84.067652
"1596270"	199.995528	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+K+HCOOH"	84.968628
"1423022"	230.027038	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+H+CF3COOH"	115.000138
"1154403"	120.060551	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+3ACN+2H"	125.094202
"1708329"	247.053585	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+NH4+CF3COOH"	132.026685
"1634301"	252.00898	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+Na+CF3COOH"	136.98208
"1571978"	267.98292	"C01596"	"Maleamate;Maleamic acid"	"C4H5NO3"	"115.0269"	"M+K+CF3COOH"	152.95602
"814372"	232.1212	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M"	0
"989203"	213.10281	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-H2O-H"	-19.01839
"67401"	153.740190666667	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M-3H"	-3.021828
"510241"	231.113924	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M-3H"	-3.021828
"883668"	76.3664573333333	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-3H"	-3.021828
"4430"	231.113924	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M-2H"	-2.014552
"445083"	347.174524	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M-2H"	-2.014552
"825075"	115.053324	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-2H"	-2.014552
"87255"	463.235124	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M-H"	-1.007276
"521714"	695.356324	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M-H"	-1.007276
"897691"	231.113924	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-H"	-1.007276
"50249"	480.261671	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M-2H+NH4"	16.019271
"495278"	712.382871	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M-2H+NH4"	16.019271
"869800"	248.140471	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-2H+NH4"	16.019271
"35511"	485.217066	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M-2H+Na"	20.974666
"473369"	717.338266	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M-2H+Na"	20.974666
"853968"	253.095866	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-2H+Na"	20.974666
"1620584"	253.095866	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Na-2H"	20.974666
"101128"	249.102263	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M-H+Cl"	33.962126
"537407"	365.162863	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M-H+Cl"	33.962126
"930917"	133.041663	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-H+Cl"	33.962126
"270202"	499.211802	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+Cl"	34.969402
"662984"	731.333002	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+Cl"	34.969402
"1277576"	267.090602	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Cl"	34.969402
"20139"	501.191006	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M-2H+K"	36.948606
"466268"	733.312206	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M-2H+K"	36.948606
"841883"	269.069806	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-2H+K"	36.948606
"1559901"	269.069806	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+K-2H"	36.948606
"945595"	277.119394	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-H+HCOOH"	44.998194
"362718"	509.240601	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+HCOOH-H"	44.998201
"350976"	523.256251	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+Hac-H"	59.013851
"1495433"	291.135051	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Hac-H"	59.013851
"961154"	299.101351	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-H+NaCOOH"	66.980151
"123551"	267.090602	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+2Cl"	69.938804
"564934"	383.151202	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+2Cl"	69.938804
"1032278"	151.030002	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2Cl"	69.938804
"1254042"	311.040085	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Br"	78.918885
"1314303"	313.096072	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Cl+HCOOH"	80.974872
"1326331"	335.078029	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Cl+NaCOOH"	102.956829
"917387"	345.106786	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M-H+CF3COOH"	112.985586
"1291186"	381.083464	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Cl+CF3COOH"	148.962264
"1371166"	197.108524	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H-2H2O"	-35.012676
"1391948"	215.1185	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H-H2O"	-17.0027
"286168"	465.249676	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+H"	1.007276
"682963"	697.370876	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+H"	1.007276
"1357126"	233.128476	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H"	1.007276
"136577"	233.128476	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+2H"	2.014552
"573951"	349.189076	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+2H"	2.014552
"1041288"	117.067876	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2H"	2.014552
"209188"	155.754742666667	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+3H"	3.021828
"650574"	233.128476	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+3H"	3.021828
"1169795"	78.3810093333333	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+3H"	3.021828
"430518"	482.276223	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+NH4"	18.033823
"793697"	714.397423	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+NH4"	18.033823
"1687842"	250.155023	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+NH4"	18.033823
"338312"	241.6417495	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+H+NH4"	19.041099
"732925"	357.7023495	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+H+NH4"	19.041099
"1482376"	125.5811495	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H+NH4"	19.041099
"394128"	487.231618	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+Na"	22.989218
"755489"	719.352818	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+Na"	22.989218
"1604681"	255.110418	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Na"	22.989218
"315815"	244.119447	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+H+Na"	23.996494
"708963"	360.180047	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+H+Na"	23.996494
"1467524"	128.058847	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H+Na"	23.996494
"1057488"	85.7083233333333	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2H+Na"	25.00377
"1264634"	265.154686	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+CH3OH+H"	33.033486
"379564"	503.205558	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+K"	38.963158
"748582"	735.326758	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+K"	38.963158
"1547354"	271.084358	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+K"	38.963158
"306355"	252.106417	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+H+K"	39.970434
"700232"	368.167017	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+H+K"	39.970434
"1453690"	136.045817	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H+K"	39.970434
"241562"	506.276226	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+ACN+H"	42.033826
"1216457"	274.155026	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+ACN+H"	42.033826
"1197425"	137.581151	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+ACN+2H"	43.041102
"190293"	509.21356	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+2Na-H"	44.97116
"634229"	741.33476	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+2Na-H"	44.97116
"1140652"	277.09236	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2Na-H"	44.97116
"176651"	255.110418	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+2Na"	45.978436
"619129"	371.171018	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+2Na"	45.978436
"1122634"	139.049818	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2Na"	45.978436
"1402877"	93.0356373333333	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H+2Na"	46.985712
"1437179"	279.133946	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H+HCOOH"	47.012746
"227970"	260.14344	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+3H2O+2H"	56.04448
"1519313"	293.18599	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+IsoProp+H"	61.06479
"413529"	263.097388	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+Na+K"	61.952376
"783275"	379.157988	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+Na+K"	61.952376
"1679242"	147.036788	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Na+K"	61.952376
"262844"	528.258168	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+ACN+Na"	64.015768
"1236646"	296.136968	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+ACN+Na"	64.015768
"1720064"	296.160493	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+NH4+HCOOH"	64.039293
"1186511"	100.362951333333	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+3Na"	68.967654
"1656409"	301.115888	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Na+HCOOH"	68.994688
"165464"	541.16144	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+2K-H"	76.91904
"607213"	773.28264	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+2K-H"	76.91904
"1096103"	309.04024	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2K-H"	76.91904
"156199"	271.084358	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"2M+2K"	77.926316
"594666"	387.144958	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"3M+2K"	77.926316
"1074803"	155.023758	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2K"	77.926316
"1110200"	311.054792	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2K+H"	78.933592
"1345491"	311.142407	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+DMSO+H"	79.021207
"1016207"	315.181576	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2ACN+H"	83.060376
"1535428"	316.175208	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+IsoProp+Na+H"	84.054008
"1001877"	158.094426	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+2ACN+2H"	84.067652
"1595286"	317.089828	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+K+HCOOH"	84.968628
"1422039"	347.121338	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+H+CF3COOH"	115.000138
"1153419"	178.607701	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+3ACN+2H"	125.094202
"1701879"	364.147885	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+NH4+CF3COOH"	132.026685
"1634211"	369.10328	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+Na+CF3COOH"	136.98208
"1572452"	385.07722	"C01598"	"Melatonin;N-Acetyl-5-methoxytryptamine"	"C13H16N2O2"	"232.1212"	"M+K+CF3COOH"	152.95602
"814484"	158.1307	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M"	0
"984736"	139.11231	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-H2O-H"	-19.01839
"67512"	104.413190666667	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M-3H"	-3.021828
"508164"	157.123424	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M-3H"	-3.021828
"887059"	51.7029573333333	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-3H"	-3.021828
"4544"	157.123424	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M-2H"	-2.014552
"452856"	236.188774	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M-2H"	-2.014552
"829565"	78.058074	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-2H"	-2.014552
"88463"	315.254124	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M-H"	-1.007276
"529119"	473.384824	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M-H"	-1.007276
"902549"	157.123424	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-H"	-1.007276
"54736"	332.280671	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M-2H+NH4"	16.019271
"494298"	490.411371	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M-2H+NH4"	16.019271
"868452"	174.149971	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-2H+NH4"	16.019271
"36722"	337.236066	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M-2H+Na"	20.974666
"477375"	495.366766	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M-2H+Na"	20.974666
"856270"	179.105366	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-2H+Na"	20.974666
"1624712"	179.105366	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Na-2H"	20.974666
"99053"	175.111763	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M-H+Cl"	33.962126
"540797"	254.177113	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M-H+Cl"	33.962126
"936497"	96.046413	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-H+Cl"	33.962126
"275053"	351.230802	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+Cl"	34.969402
"671492"	509.361502	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+Cl"	34.969402
"1287544"	193.100102	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Cl"	34.969402
"27912"	353.210006	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M-2H+K"	36.948606
"470513"	511.340706	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M-2H+K"	36.948606
"844912"	195.079306	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-2H+K"	36.948606
"1567668"	195.079306	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+K-2H"	36.948606
"946437"	203.128894	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-H+HCOOH"	44.998194
"367202"	361.259601	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+HCOOH-H"	44.998201
"354376"	375.275251	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+Hac-H"	59.013851
"1499927"	217.144551	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Hac-H"	59.013851
"967469"	225.110851	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-H+NaCOOH"	66.980151
"119656"	193.100102	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+2Cl"	69.938804
"560311"	272.165452	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+2Cl"	69.938804
"1034577"	114.034752	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2Cl"	69.938804
"1253060"	237.049585	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Br"	78.918885
"1317695"	239.105572	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Cl+HCOOH"	80.974872
"1327536"	261.087529	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Cl+NaCOOH"	102.956829
"915683"	271.116286	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M-H+CF3COOH"	112.985586
"1295310"	307.092964	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Cl+CF3COOH"	148.962264
"1377847"	123.118024	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H-2H2O"	-35.012676
"1393159"	141.128	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H-H2O"	-17.0027
"295031"	317.268676	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+H"	1.007276
"685264"	475.399376	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+H"	1.007276
"1358334"	159.137976	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H"	1.007276
"132315"	159.137976	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+2H"	2.014552
"571874"	238.203326	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+2H"	2.014552
"1043954"	80.072626	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2H"	2.014552
"214044"	106.427742666667	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+3H"	3.021828
"649232"	159.137976	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+3H"	3.021828
"1167356"	53.7175093333333	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+3H"	3.021828
"430630"	334.295223	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+NH4"	18.033823
"793812"	492.425923	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+NH4"	18.033823
"1694527"	176.164523	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+NH4"	18.033823
"339525"	167.6512495	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+H+NH4"	19.041099
"729759"	246.7165995	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+H+NH4"	19.041099
"1479206"	88.5858995	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H+NH4"	19.041099
"396794"	339.250618	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+Na"	22.989218
"755966"	497.381318	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+Na"	22.989218
"1608074"	181.119918	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Na"	22.989218
"317019"	170.128947	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+H+Na"	23.996494
"711626"	249.194297	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+H+Na"	23.996494
"1466541"	91.063597	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H+Na"	23.996494
"1060881"	61.0448233333333	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2H+Na"	25.00377
"1260373"	191.164186	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+CH3OH+H"	33.033486
"382228"	355.224558	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+K"	38.963158
"748691"	513.355258	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+K"	38.963158
"1544185"	197.093858	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+K"	38.963158
"305734"	178.115917	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+H+K"	39.970434
"694876"	257.181267	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+H+K"	39.970434
"1449790"	99.050567	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H+K"	39.970434
"238387"	358.295226	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+ACN+H"	42.033826
"1212919"	200.164526	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+ACN+H"	42.033826
"1196071"	100.585901	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+ACN+2H"	43.041102
"189671"	361.23256	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+2Na-H"	44.97116
"630326"	519.36326	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+2Na-H"	44.97116
"1133106"	203.10186	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2Na-H"	44.97116
"174694"	181.119918	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+2Na"	45.978436
"615228"	260.185268	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+2Na"	45.978436
"1117641"	102.054568	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2Na"	45.978436
"1399585"	68.3721373333333	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H+2Na"	46.985712
"1437294"	205.143446	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H+HCOOH"	47.012746
"225897"	186.15294	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+3H2O+2H"	56.04448
"1513958"	219.19549	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+IsoProp+H"	61.06479
"415831"	189.106888	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+Na+K"	61.952376
"777918"	268.172238	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+Na+K"	61.952376
"1669507"	110.041538	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Na+K"	61.952376
"257847"	380.277168	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+ACN+Na"	64.015768
"1234575"	222.146468	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+ACN+Na"	64.015768
"1721275"	222.169993	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+NH4+HCOOH"	64.039293
"1193690"	75.6994513333333	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+3Na"	68.967654
"1661998"	227.125388	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Na+HCOOH"	68.994688
"170930"	393.18044	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+2K-H"	76.91904
"612191"	551.31114	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+2K-H"	76.91904
"1099741"	235.04974	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2K-H"	76.91904
"155946"	197.093858	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"2M+2K"	77.926316
"592587"	276.159208	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"3M+2K"	77.926316
"1081475"	118.028508	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2K"	77.926316
"1110309"	237.064292	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2K+H"	78.933592
"1351264"	237.151907	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+DMSO+H"	79.021207
"1016322"	241.191076	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2ACN+H"	83.060376
"1533353"	242.184708	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+IsoProp+Na+H"	84.054008
"998708"	121.099176	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+2ACN+2H"	84.067652
"1597584"	243.099328	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+K+HCOOH"	84.968628
"1418870"	273.130838	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+H+CF3COOH"	115.000138
"1152440"	141.612451	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+3ACN+2H"	125.094202
"1699804"	290.157385	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+NH4+CF3COOH"	132.026685
"1643111"	295.11278	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+Na+CF3COOH"	136.98208
"1575480"	311.08672	"C01601"	"Nonanoic acid;Nonanoate;Pelargonic acid"	"C9H18O2"	"158.1307"	"M+K+CF3COOH"	152.95602
"816975"	132.0899	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M"	0
"984849"	113.07151	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H2O-H"	-19.01839
"70905"	87.0526573333333	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-3H"	-3.021828
"511559"	131.082624	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-3H"	-3.021828
"889359"	43.0226906666667	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-3H"	-3.021828
"15316"	131.082624	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H"	-2.014552
"455281"	197.127574	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H"	-2.014552
"829675"	65.037674	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H"	-2.014552
"87479"	263.172524	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-H"	-1.007276
"524858"	395.262424	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-H"	-1.007276
"899741"	131.082624	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H"	-1.007276
"51568"	280.199071	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+NH4"	16.019271
"495501"	412.288971	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+NH4"	16.019271
"868198"	148.109171	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+NH4"	16.019271
"37924"	285.154466	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+Na"	20.974666
"478578"	417.244366	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+Na"	20.974666
"860755"	153.064566	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+Na"	20.974666
"1628101"	153.064566	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na-2H"	20.974666
"100254"	149.070963	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-H+Cl"	33.962126
"540906"	215.115913	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-H+Cl"	33.962126
"936607"	83.026013	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+Cl"	33.962126
"276256"	299.149202	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Cl"	34.969402
"669778"	431.239102	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Cl"	34.969402
"1286449"	167.059302	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl"	34.969402
"28759"	301.128406	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+K"	36.948606
"469774"	433.218306	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+K"	36.948606
"847212"	169.038506	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+K"	36.948606
"1568509"	169.038506	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K-2H"	36.948606
"955662"	177.088094	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+HCOOH"	44.998194
"372783"	309.178001	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+HCOOH-H"	44.998201
"358863"	323.193651	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Hac-H"	59.013851
"1505506"	191.103751	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Hac-H"	59.013851
"969768"	199.070051	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+NaCOOH"	66.980151
"124634"	167.059302	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Cl"	69.938804
"563704"	233.104252	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Cl"	69.938804
"1034688"	101.014352	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Cl"	69.938804
"1255359"	211.008785	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Br"	78.918885
"1317807"	213.064772	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+HCOOH"	80.974872
"1326556"	235.046729	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+NaCOOH"	102.956829
"915793"	245.075486	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+CF3COOH"	112.985586
"1293597"	281.052164	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+CF3COOH"	148.962264
"1376864"	97.077224	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H-2H2O"	-35.012676
"1395089"	115.0872	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H-H2O"	-17.0027
"295141"	265.187076	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H"	1.007276
"686467"	397.276976	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H"	1.007276
"1362816"	133.097176	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H"	1.007276
"133519"	133.097176	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2H"	2.014552
"575267"	199.142126	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2H"	2.014552
"1046251"	67.052226	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2H"	2.014552
"210876"	89.0672093333333	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+3H"	3.021828
"651532"	133.097176	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+3H"	3.021828
"1172937"	45.0372426666667	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3H"	3.021828
"430740"	282.213623	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+NH4"	18.033823
"793927"	414.303523	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+NH4"	18.033823
"1694635"	150.123723	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4"	18.033823
"338541"	141.6104495	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+NH4"	19.041099
"732055"	207.6553995	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+NH4"	19.041099
"1478951"	75.5654995	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+NH4"	19.041099
"393988"	287.169018	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Na"	22.989218
"756806"	419.258918	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Na"	22.989218
"1604541"	155.079118	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na"	22.989218
"316762"	144.088147	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+Na"	23.996494
"718298"	210.133097	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+Na"	23.996494
"1469932"	78.043197	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+Na"	23.996494
"1059898"	52.3645566666667	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2H+Na"	25.00377
"1261576"	165.123386	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+CH3OH+H"	33.033486
"384525"	303.142958	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+K"	38.963158
"747708"	435.232858	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+K"	38.963158
"1544295"	171.053058	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K"	38.963158
"310218"	152.075117	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+K"	39.970434
"694257"	218.120067	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+K"	39.970434
"1446984"	86.030167	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+K"	39.970434
"237401"	306.213626	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+ACN+H"	42.033826
"1214122"	174.123726	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+H"	42.033826
"1197275"	87.565501	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+2H"	43.041102
"191239"	309.15096	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Na-H"	44.97116
"632257"	441.24086	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Na-H"	44.97116
"1134672"	177.06106	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Na-H"	44.97116
"176140"	155.079118	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Na"	45.978436
"616066"	221.124068	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Na"	45.978436
"1119574"	89.034168	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Na"	45.978436
"1405285"	59.6918706666667	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+2Na"	46.985712
"1435215"	179.102646	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+HCOOH"	47.012746
"223819"	160.11214	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+3H2O+2H"	56.04448
"1514068"	193.15469	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+IsoProp+H"	61.06479
"414847"	163.066088	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Na+K"	61.952376
"779122"	229.111038	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Na+K"	61.952376
"1671077"	97.021138	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+K"	61.952376
"256136"	328.195568	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+ACN+Na"	64.015768
"1235777"	196.105668	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+Na"	64.015768
"1721384"	196.129193	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4+HCOOH"	64.039293
"1191852"	67.0191846666667	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3Na"	68.967654
"1661015"	201.084588	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+HCOOH"	68.994688
"170067"	341.09884	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2K-H"	76.91904
"607441"	473.18874	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2K-H"	76.91904
"1097419"	209.00894	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K-H"	76.91904
"155085"	171.053058	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2K"	77.926316
"594886"	237.098008	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2K"	77.926316
"1080493"	105.008108	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K"	77.926316
"1114312"	211.023492	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K+H"	78.933592
"1348994"	211.111107	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+DMSO+H"	79.021207
"1013152"	215.150276	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2ACN+H"	83.060376
"1532370"	216.143908	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+IsoProp+Na+H"	84.054008
"997725"	108.078776	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2ACN+2H"	84.067652
"1597694"	217.058528	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K+HCOOH"	84.968628
"1425543"	247.090038	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+CF3COOH"	115.000138
"1152550"	128.592051	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3ACN+2H"	125.094202
"1703194"	264.116585	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4+CF3COOH"	132.026685
"1643221"	269.07198	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+CF3COOH"	136.98208
"1575590"	285.04592	"C01602"	"Ornithine;25-Diaminovaleric acid;25-Diaminopentanoic acid;25-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K+CF3COOH"	152.95602
"814340"	436.1369	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M"	0
"984956"	417.11851	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-H2O-H"	-19.01839
"71011"	289.750657333333	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M-3H"	-3.021828
"505103"	435.129624	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M-3H"	-3.021828
"888373"	144.371690666667	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-3H"	-3.021828
"13153"	435.129624	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M-2H"	-2.014552
"454171"	653.198074	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M-2H"	-2.014552
"828692"	217.061174	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-2H"	-2.014552
"85403"	871.266524	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M-H"	-1.007276
"523145"	1307.403424	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M-H"	-1.007276
"898029"	435.129624	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-H"	-1.007276
"52768"	888.293071	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M-2H+NH4"	16.019271
"490503"	1324.429971	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M-2H+NH4"	16.019271
"869402"	452.156171	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-2H+NH4"	16.019271
"38034"	893.248466	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M-2H+Na"	20.974666
"477595"	1329.385366	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M-2H+Na"	20.974666
"858679"	457.111566	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-2H+Na"	20.974666
"1628211"	457.111566	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Na-2H"	20.974666
"102551"	453.117963	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M-H+Cl"	33.962126
"541016"	671.186413	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M-H+Cl"	33.962126
"932343"	235.049513	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-H+Cl"	33.962126
"275273"	907.243202	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+Cl"	34.969402
"668795"	1343.380102	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+Cl"	34.969402
"1286676"	471.106302	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Cl"	34.969402
"29233"	909.222406	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M-2H+K"	36.948606
"468791"	1345.359306	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M-2H+K"	36.948606
"842948"	473.085506	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-2H+K"	36.948606
"1566797"	473.085506	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+K-2H"	36.948606
"952129"	481.135094	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-H+HCOOH"	44.998194
"371800"	917.272001	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+HCOOH-H"	44.998201
"354596"	931.287651	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+Hac-H"	59.013851
"1506710"	495.150751	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Hac-H"	59.013851
"973647"	503.117051	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-H+NaCOOH"	66.980151
"122066"	471.106302	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+2Cl"	69.938804
"564907"	689.174752	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+2Cl"	69.938804
"1032611"	253.037852	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2Cl"	69.938804
"1254376"	515.055785	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Br"	78.918885
"1316824"	517.111772	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Cl+HCOOH"	80.974872
"1333592"	539.093729	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Cl+NaCOOH"	102.956829
"915903"	549.122486	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M-H+CF3COOH"	112.985586
"1295531"	585.099164	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Cl+CF3COOH"	148.962264
"1374785"	401.124224	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H-2H2O"	-35.012676
"1394108"	419.1342	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H-H2O"	-17.0027
"295250"	873.281076	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+H"	1.007276
"687670"	1309.417976	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+H"	1.007276
"1362562"	437.144176	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H"	1.007276
"133629"	437.144176	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+2H"	2.014552
"575376"	655.212626	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+2H"	2.014552
"1044173"	219.075726	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2H"	2.014552
"212080"	291.765209333333	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+3H"	3.021828
"648362"	437.144176	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+3H"	3.021828
"1169768"	146.386242666667	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+3H"	3.021828
"428664"	890.307623	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+NH4"	18.033823
"790755"	1326.444523	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+NH4"	18.033823
"1690370"	454.170723	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+NH4"	18.033823
"337558"	445.6574495	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+H+NH4"	19.041099
"731074"	663.7258995	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+H+NH4"	19.041099
"1478090"	227.5889995	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H+NH4"	19.041099
"395192"	895.263018	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+Na"	22.989218
"760196"	1331.399918	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+Na"	22.989218
"1604287"	459.126118	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Na"	22.989218
"317603"	448.135147	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+H+Na"	23.996494
"714034"	666.203597	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+H+Na"	23.996494
"1471136"	230.066697	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H+Na"	23.996494
"1061103"	153.713556666667	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2H+Na"	25.00377
"1263874"	469.170386	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+CH3OH+H"	33.033486
"392497"	911.236958	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+K"	38.963158
"751100"	1347.373858	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+K"	38.963158
"1544769"	475.100058	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+K"	38.963158
"305955"	456.122117	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+H+K"	39.970434
"694003"	674.190567	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+H+K"	39.970434
"1448917"	238.053667	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H+K"	39.970434
"237268"	914.307626	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+ACN+H"	42.033826
"1213138"	478.170726	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+ACN+H"	42.033826
"1197750"	239.589001	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+ACN+2H"	43.041102
"190619"	917.24496	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+2Na-H"	44.97116
"630909"	1353.38186	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+2Na-H"	44.97116
"1133687"	481.10806	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2Na-H"	44.97116
"174910"	459.126118	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+2Na"	45.978436
"615448"	677.194568	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+2Na"	45.978436
"1118225"	241.057668	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2Na"	45.978436
"1399441"	161.040870666667	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H+2Na"	46.985712
"1436419"	483.149646	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H+HCOOH"	47.012746
"225024"	464.15914	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+3H2O+2H"	56.04448
"1516365"	497.20169	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+IsoProp+H"	61.06479
"417147"	467.113088	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+Na+K"	61.952376
"778139"	685.181538	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+Na+K"	61.952376
"1669363"	249.044638	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Na+K"	61.952376
"255519"	936.289568	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+ACN+Na"	64.015768
"1232607"	500.152668	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+ACN+Na"	64.015768
"1722588"	500.176193	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+NH4+HCOOH"	64.039293
"1193055"	168.368184666667	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+3Na"	68.967654
"1661125"	505.131588	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Na+HCOOH"	68.994688
"170785"	949.19284	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+2K-H"	76.91904
"608645"	1385.32974	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+2K-H"	76.91904
"1097530"	513.05594	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2K-H"	76.91904
"155316"	475.100058	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"2M+2K"	77.926316
"594996"	693.168508	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"3M+2K"	77.926316
"1080603"	257.031608	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2K"	77.926316
"1113812"	515.070492	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2K+H"	78.933592
"1349104"	515.158107	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+DMSO+H"	79.021207
"1016543"	519.197276	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2ACN+H"	83.060376
"1535760"	520.190908	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+IsoProp+Na+H"	84.054008
"998929"	260.102276	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+2ACN+2H"	84.067652
"1595618"	521.105528	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+K+HCOOH"	84.968628
"1425653"	551.137038	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+H+CF3COOH"	115.000138
"1152660"	280.615551	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+3ACN+2H"	125.094202
"1703304"	568.163585	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+NH4+CF3COOH"	132.026685
"1643331"	573.11898	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+Na+CF3COOH"	136.98208
"1575700"	589.09292	"C01604"	"Phlorizin;Phlorhizin;Phloridzin"	"C21H24O10"	"436.1369"	"M+K+CF3COOH"	152.95602
"814814"	166.0266	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M"	0
"985066"	147.00821	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H2O-H"	-19.01839
"71121"	109.677124	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-3H"	-3.021828
"505213"	165.019324	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-3H"	-3.021828
"886297"	54.334924	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-3H"	-3.021828
"11440"	165.019324	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H"	-2.014552
"446626"	248.032624	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H"	-2.014552
"826615"	82.006024	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H"	-2.014552
"86606"	331.045924	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-H"	-1.007276
"528357"	497.072524	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-H"	-1.007276
"900691"	165.019324	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H"	-1.007276
"53971"	348.072471	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H+NH4"	16.019271
"490251"	514.099071	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H+NH4"	16.019271
"870241"	182.045871	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H+NH4"	16.019271
"38144"	353.027866	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H+Na"	20.974666
"479892"	519.054466	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H+Na"	20.974666
"859882"	187.001266	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H+Na"	20.974666
"1628321"	187.001266	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na-2H"	20.974666
"99381"	183.007663	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-H+Cl"	33.962126
"540033"	266.020963	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-H+Cl"	33.962126
"931360"	99.994363	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+Cl"	33.962126
"273196"	367.022602	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Cl"	34.969402
"660519"	533.049202	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+Cl"	34.969402
"1284602"	200.996002	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl"	34.969402
"28250"	369.001806	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H+K"	36.948606
"468897"	535.028406	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H+K"	36.948606
"844512"	202.975206	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H+K"	36.948606
"1566906"	202.975206	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K-2H"	36.948606
"953696"	211.024794	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+HCOOH"	44.998194
"371910"	377.051401	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+HCOOH-H"	44.998201
"353613"	391.067051	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Hac-H"	59.013851
"1505727"	225.040451	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Hac-H"	59.013851
"972175"	233.006751	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+NaCOOH"	66.980151
"121083"	200.996002	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2Cl"	69.938804
"563923"	284.009302	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2Cl"	69.938804
"1029441"	117.982702	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2Cl"	69.938804
"1250112"	244.945485	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Br"	78.918885
"1314747"	247.001472	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl+HCOOH"	80.974872
"1332242"	268.983429	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl+NaCOOH"	102.956829
"916013"	279.012186	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+CF3COOH"	112.985586
"1297463"	314.988864	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl+CF3COOH"	148.962264
"1374895"	131.013924	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H-2H2O"	-35.012676
"1393486"	149.0239	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H-H2O"	-17.0027
"292078"	333.060476	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H"	1.007276
"685594"	499.087076	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H"	1.007276
"1361941"	167.033876	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H"	1.007276
"133738"	167.033876	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2H"	2.014552
"575486"	250.047176	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2H"	2.014552
"1044283"	84.020576	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2H"	2.014552
"213282"	111.691676	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+3H"	3.021828
"649563"	167.033876	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+3H"	3.021828
"1168782"	56.349476	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+3H"	3.021828
"430959"	350.087023	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+NH4"	18.033823
"793051"	516.113623	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+NH4"	18.033823
"1691573"	184.060423	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+NH4"	18.033823
"342041"	175.5471495	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H+NH4"	19.041099
"732276"	258.5604495	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H+NH4"	19.041099
"1479539"	92.5338495	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+NH4"	19.041099
"397125"	355.042418	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Na"	22.989218
"759213"	521.069018	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+Na"	22.989218
"1604275"	189.015818	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na"	22.989218
"315768"	178.024847	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H+Na"	23.996494
"713051"	261.038147	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H+Na"	23.996494
"1472339"	95.011547	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+Na"	23.996494
"1061212"	63.67679	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2H+Na"	25.00377
"1265077"	199.060086	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+CH3OH+H"	33.033486
"388028"	371.016358	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+K"	38.963158
"750117"	537.042958	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+K"	38.963158
"1544515"	204.989758	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K"	38.963158
"307158"	186.011817	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H+K"	39.970434
"695207"	269.025117	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H+K"	39.970434
"1447934"	102.998517	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+K"	39.970434
"236894"	374.087026	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+ACN+H"	42.033826
"1213247"	208.060426	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+ACN+H"	42.033826
"1196766"	104.533851	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+ACN+2H"	43.041102
"190730"	377.02436	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2Na-H"	44.97116
"630291"	543.05096	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2Na-H"	44.97116
"1132705"	210.99776	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2Na-H"	44.97116
"174538"	189.015818	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2Na"	45.978436
"616288"	272.029118	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2Na"	45.978436
"1117607"	106.002518	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2Na"	45.978436
"1401132"	71.004104	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+2Na"	46.985712
"1435435"	213.039346	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+HCOOH"	47.012746
"225134"	194.04884	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+3H2O+2H"	56.04448
"1514288"	227.09139	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+H"	61.06479
"416163"	197.002788	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Na+K"	61.952376
"774968"	280.016088	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+Na+K"	61.952376
"1670201"	113.989488	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na+K"	61.952376
"255992"	396.068968	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+ACN+Na"	64.015768
"1233810"	230.042368	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+ACN+Na"	64.015768
"1719418"	230.065893	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+NH4+HCOOH"	64.039293
"1192436"	78.331418	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+3Na"	68.967654
"1663421"	235.021288	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na+HCOOH"	68.994688
"171259"	408.97224	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2K-H"	76.91904
"609848"	574.99884	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2K-H"	76.91904
"1098976"	242.94564	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2K-H"	76.91904
"154454"	204.989758	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2K"	77.926316
"595106"	288.003058	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2K"	77.926316
"1082778"	121.976458	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2K"	77.926316
"1115019"	244.960192	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2K+H"	78.933592
"1347031"	245.047807	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+DMSO+H"	79.021207
"1016653"	249.086976	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2ACN+H"	83.060376
"1534777"	250.080608	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+Na+H"	84.054008
"997945"	125.047126	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2ACN+2H"	84.067652
"1595728"	250.995228	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K+HCOOH"	84.968628
"1425763"	281.026738	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+CF3COOH"	115.000138
"1152770"	145.560401	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+3ACN+2H"	125.094202
"1702321"	298.053285	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+NH4+CF3COOH"	132.026685
"1643441"	303.00868	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na+CF3COOH"	136.98208
"1574717"	318.98262	"C01606"	"Phthalate;o-Phthalic acid;12-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K+CF3COOH"	152.95602
"816912"	312.3028	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M"	0
"985176"	293.28441	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-H2O-H"	-19.01839
"71231"	207.194590666667	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M-3H"	-3.021828
"508603"	311.295524	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M-3H"	-3.021828
"886407"	103.093657333333	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-3H"	-3.021828
"4981"	311.295524	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M-2H"	-2.014552
"448923"	467.446924	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M-2H"	-2.014552
"825632"	155.144124	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-2H"	-2.014552
"85623"	623.598324	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M-H"	-1.007276
"530654"	935.901124	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M-H"	-1.007276
"898614"	311.295524	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-H"	-1.007276
"50069"	640.624871	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M-2H+NH4"	16.019271
"492548"	952.927671	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M-2H+NH4"	16.019271
"870352"	328.322071	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-2H+NH4"	16.019271
"39348"	645.580266	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M-2H+Na"	20.974666
"478909"	957.883066	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M-2H+Na"	20.974666
"857806"	333.277466	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-2H+Na"	20.974666
"1629525"	333.277466	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Na-2H"	20.974666
"102771"	329.283863	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M-H+Cl"	33.962126
"542330"	485.435263	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M-H+Cl"	33.962126
"931470"	173.132463	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-H+Cl"	33.962126
"273306"	659.575002	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+Cl"	34.969402
"660547"	971.877802	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+Cl"	34.969402
"1283618"	347.272202	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Cl"	34.969402
"27267"	661.554206	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M-2H+K"	36.948606
"465728"	973.857006	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M-2H+K"	36.948606
"839154"	349.251406	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-2H+K"	36.948606
"1560453"	349.251406	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+K-2H"	36.948606
"949431"	357.300994	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-H+HCOOH"	44.998194
"366552"	669.603801	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+HCOOH-H"	44.998201
"353723"	683.619451	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+Hac-H"	59.013851
"1504744"	371.316651	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Hac-H"	59.013851
"970098"	379.282951	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-H+NaCOOH"	66.980151
"117910"	347.272202	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+2Cl"	69.938804
"561845"	503.423602	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+2Cl"	69.938804
"1031737"	191.120802	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2Cl"	69.938804
"1249129"	391.221685	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Br"	78.918885
"1314857"	393.277672	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Cl+HCOOH"	80.974872
"1330166"	415.259629	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Cl+NaCOOH"	102.956829
"919040"	425.288386	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M-H+CF3COOH"	112.985586
"1294658"	461.265064	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Cl+CF3COOH"	148.962264
"1376101"	277.290124	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H-2H2O"	-35.012676
"1394327"	295.3001	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H-H2O"	-17.0027
"287815"	625.612876	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+H"	1.007276
"682424"	937.915676	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+H"	1.007276
"1356584"	313.310076	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H"	1.007276
"130567"	313.310076	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+2H"	2.014552
"570130"	469.461476	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+2H"	2.014552
"1040020"	157.158676	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2H"	2.014552
"209019"	209.209142666667	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+3H"	3.021828
"648580"	313.310076	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+3H"	3.021828
"1171079"	105.108209333333	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+3H"	3.021828
"429978"	642.639423	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+NH4"	18.033823
"794254"	954.942223	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+NH4"	18.033823
"1691683"	330.336623	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+NH4"	18.033823
"342516"	321.8233495	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+H+NH4"	19.041099
"734576"	477.9747495	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+H+NH4"	19.041099
"1478310"	165.6719495	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H+NH4"	19.041099
"398329"	647.594818	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+Na"	22.989218
"761511"	959.897618	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+Na"	22.989218
"1608517"	335.292018	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Na"	22.989218
"315636"	324.301047	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+H+Na"	23.996494
"716442"	480.452447	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+H+Na"	23.996494
"1471358"	168.149647	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H+Na"	23.996494
"1065697"	112.435523333333	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2H+Na"	25.00377
"1267377"	345.336286	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+CH3OH+H"	33.033486
"388137"	663.568758	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+K"	38.963158
"751319"	975.871558	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+K"	38.963158
"1546811"	351.265958	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+K"	38.963158
"303987"	332.288017	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+H+K"	39.970434
"692398"	488.439417	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+H+K"	39.970434
"1447314"	176.136617	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H+K"	39.970434
"237368"	666.639426	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+ACN+H"	42.033826
"1212995"	354.336626	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+ACN+H"	42.033826
"1196877"	177.671951	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+ACN+2H"	43.041102
"193030"	669.57676	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+2Na-H"	44.97116
"629308"	981.87956	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+2Na-H"	44.97116
"1133180"	357.27396	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2Na-H"	44.97116
"174281"	335.292018	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+2Na"	45.978436
"616399"	491.443418	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+2Na"	45.978436
"1116984"	179.140618	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2Na"	45.978436
"1403429"	119.762837333333	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H+2Na"	46.985712
"1434453"	359.315546	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H+HCOOH"	47.012746
"221960"	340.32504	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+3H2O+2H"	56.04448
"1513306"	373.36759	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+IsoProp+H"	61.06479
"410434"	343.278988	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+Na+K"	61.952376
"772159"	499.430388	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+Na+K"	61.952376
"1668855"	187.127588	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Na+K"	61.952376
"255742"	688.621368	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+ACN+Na"	64.015768
"1233920"	376.318568	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+ACN+Na"	64.015768
"1718435"	376.342093	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+NH4+HCOOH"	64.039293
"1187074"	127.090151333333	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+3Na"	68.967654
"1661344"	381.297488	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Na+HCOOH"	68.994688
"171976"	701.52464	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+2K-H"	76.91904
"610686"	1013.82744	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+2K-H"	76.91904
"1098601"	389.22184	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2K-H"	76.91904
"156511"	351.265958	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"2M+2K"	77.926316
"596314"	507.417358	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"3M+2K"	77.926316
"1081917"	195.114558	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2K"	77.926316
"1115008"	391.236392	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2K+H"	78.933592
"1348234"	391.324007	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+DMSO+H"	79.021207
"1014576"	395.363176	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2ACN+H"	83.060376
"1530515"	396.356808	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+IsoProp+Na+H"	84.054008
"998055"	198.185226	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+2ACN+2H"	84.067652
"1595836"	397.271428	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+K+HCOOH"	84.968628
"1422593"	427.302938	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+H+CF3COOH"	115.000138
"1152880"	218.698501	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+3ACN+2H"	125.094202
"1702431"	444.329485	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+NH4+CF3COOH"	132.026685
"1646831"	449.28488	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+Na+CF3COOH"	136.98208
"1574827"	465.25882	"C01607"	"Phytanate;Phytanic acid;371115-Tetramethylhexadecanoic acid"	"C20H40O2"	"312.3028"	"M+K+CF3COOH"	152.95602
"817052"	331.0627	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M"	0
"985286"	312.04431	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-H2O-H"	-19.01839
"71341"	219.701190666667	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M-3H"	-3.021828
"515274"	330.055424	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M-3H"	-3.021828
"886515"	109.346957333333	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-3H"	-3.021828
"5088"	330.055424	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M-2H"	-2.014552
"445753"	495.586774	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M-2H"	-2.014552
"824646"	164.524074	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-2H"	-2.014552
"85733"	661.118124	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M-H"	-1.007276
"532708"	992.180824	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M-H"	-1.007276
"898724"	330.055424	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-H"	-1.007276
"51638"	678.144671	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M-2H+NH4"	16.019271
"492658"	1009.207371	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M-2H+NH4"	16.019271
"869731"	347.081971	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-2H+NH4"	16.019271
"41644"	683.100066	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M-2H+Na"	20.974666
"482298"	1014.162766	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M-2H+Na"	20.974666
"859008"	352.037366	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-2H+Na"	20.974666
"1630727"	352.037366	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Na-2H"	20.974666
"103974"	348.043763	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M-H+Cl"	33.962126
"542440"	513.575113	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M-H+Cl"	33.962126
"929393"	182.512413	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-H+Cl"	33.962126
"270136"	697.094802	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+Cl"	34.969402
"664748"	1028.157502	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+Cl"	34.969402
"1282634"	366.032102	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Cl"	34.969402
"26284"	699.074006	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M-2H+K"	36.948606
"468025"	1030.136706	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M-2H+K"	36.948606
"839264"	368.011306	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-2H+K"	36.948606
"1561656"	368.011306	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+K-2H"	36.948606
"950634"	376.060894	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-H+HCOOH"	44.998194
"366662"	707.123601	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+HCOOH-H"	44.998201
"353833"	721.139251	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+Hac-H"	59.013851
"1503761"	390.076551	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Hac-H"	59.013851
"968021"	398.042851	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-H+NaCOOH"	66.980151
"120206"	366.032102	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+2Cl"	69.938804
"560860"	531.563452	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+2Cl"	69.938804
"1034035"	200.500752	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2Cl"	69.938804
"1245227"	409.981585	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Br"	78.918885
"1312779"	412.037572	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Cl+HCOOH"	80.974872
"1331369"	434.019529	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Cl+NaCOOH"	102.956829
"916234"	444.048286	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M-H+CF3COOH"	112.985586
"1293674"	480.024964	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Cl+CF3COOH"	148.962264
"1376210"	296.050024	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H-2H2O"	-35.012676
"1392614"	314.06	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H-H2O"	-17.0027
"289018"	663.132676	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+H"	1.007276
"683627"	994.195376	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+H"	1.007276
"1354871"	332.069976	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H"	1.007276
"127761"	332.069976	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+2H"	2.014552
"568779"	497.601326	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+2H"	2.014552
"1040494"	166.538626	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2H"	2.014552
"211315"	221.715742666667	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+3H"	3.021828
"646503"	332.069976	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+3H"	3.021828
"1167907"	111.361509333333	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+3H"	3.021828
"430088"	680.159223	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+NH4"	18.033823
"795457"	1011.221923	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+NH4"	18.033823
"1693615"	349.096523	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+NH4"	18.033823
"341168"	340.5832495	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+H+NH4"	19.041099
"732500"	506.1145995	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+H+NH4"	19.041099
"1488505"	175.0518995	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H+NH4"	19.041099
"401718"	685.114618	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+Na"	22.989218
"757612"	1016.177318	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+Na"	22.989218
"1606804"	354.051918	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Na"	22.989218
"316111"	343.060947	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+H+Na"	23.996494
"714366"	508.592297	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+H+Na"	23.996494
"1471468"	177.529597	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H+Na"	23.996494
"1063621"	118.688823333333	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2H+Na"	25.00377
"1267487"	364.096186	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+CH3OH+H"	33.033486
"388247"	701.088558	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+K"	38.963158
"749243"	1032.151258	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+K"	38.963158
"1548015"	370.025858	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+K"	38.963158
"302273"	351.047917	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+H+K"	39.970434
"692872"	516.579267	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+H+K"	39.970434
"1447056"	185.516567	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H+K"	39.970434
"239298"	704.159226	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+ACN+H"	42.033826
"1211525"	373.096526	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+ACN+H"	42.033826
"1196260"	187.051901	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+ACN+2H"	43.041102
"189858"	707.09656	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+2Na-H"	44.97116
"631236"	1038.15926	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+2Na-H"	44.97116
"1134744"	376.03386	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2Na-H"	44.97116
"174755"	354.051918	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+2Na"	45.978436
"615409"	519.583268	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+2Na"	45.978436
"1117577"	188.520568	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2Na"	45.978436
"1400013"	126.016137333333	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H+2Na"	46.985712
"1430914"	378.075446	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H+HCOOH"	47.012746
"221337"	359.08494	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+3H2O+2H"	56.04448
"1509402"	392.12749	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+IsoProp+H"	61.06479
"410542"	362.038888	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+Na+K"	61.952376
"771903"	527.570238	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+Na+K"	61.952376
"1668597"	196.507538	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Na+K"	61.952376
"256577"	726.141168	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+ACN+Na"	64.015768
"1231837"	395.078468	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+ACN+Na"	64.015768
"1716718"	395.101993	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+NH4+HCOOH"	64.039293
"1184998"	133.343451333333	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+3Na"	68.967654
"1654886"	400.057388	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Na+HCOOH"	68.994688
"166129"	739.04444	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+2K-H"	76.91904
"611769"	1070.10714	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+2K-H"	76.91904
"1098347"	407.98174	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2K-H"	76.91904
"156015"	370.025858	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"2M+2K"	77.926316
"596915"	535.557208	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"3M+2K"	77.926316
"1082516"	204.494508	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2K"	77.926316
"1114511"	409.996292	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2K+H"	78.933592
"1349194"	410.083907	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+DMSO+H"	79.021207
"1012499"	414.123076	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2ACN+H"	83.060376
"1529532"	415.116708	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+IsoProp+Na+H"	84.054008
"998165"	207.565176	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+2ACN+2H"	84.067652
"1595946"	416.031328	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+K+HCOOH"	84.968628
"1422703"	446.062838	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+H+CF3COOH"	115.000138
"1152990"	228.078451	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+3ACN+2H"	125.094202
"1702541"	463.089385	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+NH4+CF3COOH"	132.026685
"1646941"	468.04478	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+Na+CF3COOH"	136.98208
"1576030"	484.01872	"C01608"	"Piroxicam"	"C15H13N3O4S"	"331.0627"	"M+K+CF3COOH"	152.95602
"816239"	471.223	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M"	0
"978837"	452.20461	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-H2O-H"	-19.01839
"68171"	313.141390666667	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M-3H"	-3.021828
"507730"	470.215724	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M-3H"	-3.021828
"882252"	156.067057333333	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-3H"	-3.021828
"10676"	470.215724	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M-2H"	-2.014552
"446956"	705.827224	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M-2H"	-2.014552
"819654"	234.604224	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-2H"	-2.014552
"92407"	941.438724	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M-H"	-1.007276
"529780"	1412.661724	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M-H"	-1.007276
"904301"	470.215724	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-H"	-1.007276
"48831"	958.465271	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M-2H+NH4"	16.019271
"489851"	1429.688271	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M-2H+NH4"	16.019271
"878475"	487.242271	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-2H+NH4"	16.019271
"46131"	963.420666	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M-2H+Na"	20.974666
"484599"	1434.643666	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M-2H+Na"	20.974666
"862399"	492.197666	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-2H+Na"	20.974666
"1624277"	492.197666	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Na-2H"	20.974666
"97526"	488.204063	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M-H+Cl"	33.962126
"548019"	723.815563	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M-H+Cl"	33.962126
"933879"	252.592563	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-H+Cl"	33.962126
"272438"	977.415402	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+Cl"	34.969402
"673614"	1448.638402	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+Cl"	34.969402
"1284929"	506.192402	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Cl"	34.969402
"25666"	979.394606	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M-2H+K"	36.948606
"467773"	1450.617606	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M-2H+K"	36.948606
"844842"	508.171606	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-2H+K"	36.948606
"1565049"	508.171606	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+K-2H"	36.948606
"951838"	516.221194	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-H+HCOOH"	44.998194
"371156"	987.444201	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+HCOOH-H"	44.998201
"356863"	1001.459851	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+Hac-H"	59.013851
"1501686"	530.236851	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Hac-H"	59.013851
"970316"	538.203151	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-H+NaCOOH"	66.980151
"121410"	506.192402	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+2Cl"	69.938804
"560971"	741.803902	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+2Cl"	69.938804
"1030863"	270.580902	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2Cl"	69.938804
"1251535"	550.141885	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Br"	78.918885
"1309609"	552.197872	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Cl+HCOOH"	80.974872
"1323827"	574.179829	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Cl+NaCOOH"	102.956829
"916347"	584.208586	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M-H+CF3COOH"	112.985586
"1295973"	620.185264	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Cl+CF3COOH"	148.962264
"1376323"	436.210324	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H-2H2O"	-35.012676
"1388351"	454.2203	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H-H2O"	-17.0027
"289131"	943.453276	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+H"	1.007276
"679365"	1414.676276	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+H"	1.007276
"1355714"	472.230276	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H"	1.007276
"128238"	472.230276	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+2H"	2.014552
"568528"	707.841776	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+2H"	2.014552
"1038783"	236.618776	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2H"	2.014552
"209242"	315.155942666667	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+3H"	3.021828
"647708"	472.230276	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+3H"	3.021828
"1165833"	158.081609333333	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+3H"	3.021828
"431293"	960.479823	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+NH4"	18.033823
"795575"	1431.702823	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+NH4"	18.033823
"1696818"	489.256823	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+NH4"	18.033823
"344197"	480.7435495	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+H+NH4"	19.041099
"735526"	716.3550495	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+H+NH4"	19.041099
"1483149"	245.1320495	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H+NH4"	19.041099
"400737"	965.435218	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+Na"	22.989218
"766836"	1436.658218	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+Na"	22.989218
"1613110"	494.212218	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Na"	22.989218
"325334"	483.221247	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+H+Na"	23.996494
"718849"	718.832747	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+H+Na"	23.996494
"1476563"	247.609747	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H+Na"	23.996494
"1062637"	165.408923333333	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2H+Na"	25.00377
"1272697"	504.256486	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+CH3OH+H"	33.033486
"392247"	981.409158	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+K"	38.963158
"752636"	1452.632158	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+K"	38.963158
"1549220"	510.186158	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+K"	38.963158
"313331"	491.208217	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+H+K"	39.970434
"706557"	726.819717	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+H+K"	39.970434
"1448625"	255.596717	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H+K"	39.970434
"238319"	984.479826	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+ACN+H"	42.033826
"1213946"	513.256826	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+ACN+H"	42.033826
"1196368"	257.132051	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+ACN+2H"	43.041102
"191061"	987.41716	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+2Na-H"	44.97116
"629894"	1458.64016	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+2Na-H"	44.97116
"1133157"	516.19416	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2Na-H"	44.97116
"174505"	494.212218	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+2Na"	45.978436
"616250"	729.823718	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+2Na"	45.978436
"1118300"	258.600718	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2Na"	45.978436
"1399757"	172.736237333333	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H+2Na"	46.985712
"1431390"	518.235746	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H+HCOOH"	47.012746
"221200"	499.24524	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+3H2O+2H"	56.04448
"1509507"	532.28779	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+IsoProp+H"	61.06479
"410286"	502.199188	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+Na+K"	61.952376
"771158"	737.810688	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+Na+K"	61.952376
"1667616"	266.587688	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Na+K"	61.952376
"252678"	1006.461768	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+ACN+Na"	64.015768
"1228308"	535.238768	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+ACN+Na"	64.015768
"1717571"	535.262293	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+NH4+HCOOH"	64.039293
"1182923"	180.063551333333	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+3Na"	68.967654
"1661566"	540.217688	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Na+HCOOH"	68.994688
"172196"	1019.36504	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+2K-H"	76.91904
"611271"	1490.58804	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+2K-H"	76.91904
"1098458"	548.14204	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2K-H"	76.91904
"156738"	510.186158	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"2M+2K"	77.926316
"592159"	745.797658	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"3M+2K"	77.926316
"1077764"	274.574658	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2K"	77.926316
"1106601"	550.156592	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2K+H"	78.933592
"1341892"	550.244207	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+DMSO+H"	79.021207
"1012609"	554.283376	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2ACN+H"	83.060376
"1530734"	555.277008	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+IsoProp+Na+H"	84.054008
"997181"	277.645326	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+2ACN+2H"	84.067652
"1594967"	556.191628	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+K+HCOOH"	84.968628
"1423907"	586.223138	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+H+CF3COOH"	115.000138
"1160757"	298.158601	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+3ACN+2H"	125.094202
"1709215"	603.249685	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+NH4+CF3COOH"	132.026685
"1640492"	608.20508	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+Na+CF3COOH"	136.98208
"1578329"	624.17902	"C01610"	"Puromycin"	"C22H29N7O5"	"471.223"	"M+K+CF3COOH"	152.95602
"815256"	666.2219	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M"	0
"978947"	647.20351	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"70468"	443.140657333333	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"506749"	665.214624	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"890026"	221.066690666667	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"7506"	665.214624	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"442691"	998.325574	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"829977"	332.103674	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"88143"	1331.436524	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"529891"	1997.658424	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"899308"	665.214624	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"58788"	1348.463071	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"499445"	2014.684971	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"875060"	682.241171	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"43690"	1353.418466	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"481429"	2019.640366	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"860322"	687.196566	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1624387"	687.196566	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"104196"	683.202963	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"544849"	1016.313913	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"935087"	350.092013	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"279121"	1367.413202	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"673365"	2033.635102	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1286863"	701.191302	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"26502"	1369.392406	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"468974"	2035.614306	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"843858"	703.170506	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1562970"	703.170506	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"955967"	711.220094	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"370536"	1377.442001	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"358433"	1391.457651	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1502888"	725.235751	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"971519"	733.202051	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"121158"	701.191302	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"561084"	1034.302252	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1030977"	368.080352	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1249459"	745.140785	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1307532"	747.196772	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1323937"	769.178729	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"916089"	779.207486	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1296083"	815.184164	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1373150"	631.209224	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1389554"	649.2192	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"288145"	1333.451076	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"680569"	1999.672976	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1355824"	667.229176	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"128712"	667.229176	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"567181"	1000.340126	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1037801"	334.118226	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"205213"	445.155209333333	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"647085"	667.229176	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1165939"	223.081242666667	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"439952"	1350.477623	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"800429"	2016.699523	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1696275"	684.255723	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"340298"	675.7424495	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"730533"	1008.8533995	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1484354"	342.6314995	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"400847"	1355.433018	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"760747"	2021.654918	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1612125"	689.211118	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"324351"	678.220147	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"717866"	1011.331097	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1476791"	345.109197	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1068421"	230.408556666667	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1272611"	699.255386	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"390656"	1371.406958	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"752747"	2037.628858	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1554799"	705.185058	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"313437"	686.207117	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"694551"	1019.318067	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1448373"	353.096167	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"237337"	1374.477626	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1212964"	708.255726	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1196119"	354.631501	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"191175"	1377.41496	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"633652"	2043.63686	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1133878"	711.19306	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"178262"	689.211118	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"614783"	1022.322068	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1118048"	356.100168	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1400478"	237.735870666667	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1430282"	713.234646	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"220465"	694.24414	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1508535"	727.28669	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"409667"	697.198088	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"771030"	1030.309038	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1666507"	364.087138	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"254254"	1396.459568	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1230613"	730.237668	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1716218"	730.261193	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1183034"	245.063184666667	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1662769"	735.216588	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"167443"	1409.36284	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"608097"	2075.58474	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1098079"	743.14094	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"155989"	705.185058	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"590083"	1038.296008	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1077876"	372.074108	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1106711"	745.155492	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1339814"	745.243107	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1011623"	749.282276	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1531937"	750.275908	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"998386"	375.144776	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1593984"	751.190528	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1424019"	781.222038	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1152120"	395.658051	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1703860"	798.248585	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1646071"	803.20398	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1578440"	819.17792	"C01613"	"Stachyose"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"802247"	197.0358	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M"	0
"987448"	178.01741	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-H2O-H"	-19.01839
"76056"	130.349924	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M-3H"	-3.021828
"516711"	196.028524	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M-3H"	-3.021828
"894149"	64.671324	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-3H"	-3.021828
"2154"	196.028524	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M-2H"	-2.014552
"444994"	294.546424	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M-2H"	-2.014552
"820610"	97.510624	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-2H"	-2.014552
"80236"	393.064324	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M-H"	-1.007276
"531097"	590.100124	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M-H"	-1.007276
"902341"	196.028524	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-H"	-1.007276
"57810"	410.090871	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M-2H+NH4"	16.019271
"497369"	607.126671	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M-2H+NH4"	16.019271
"872985"	213.055071	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-2H+NH4"	16.019271
"44169"	415.046266	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M-2H+Na"	20.974666
"482631"	612.082066	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M-2H+Na"	20.974666
"853871"	218.010466	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-2H+Na"	20.974666
"1621218"	218.010466	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Na-2H"	20.974666
"107960"	214.016863	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M-H+Cl"	33.962126
"546063"	312.534763	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M-H+Cl"	33.962126
"939578"	115.498963	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-H+Cl"	33.962126
"281051"	429.041002	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+Cl"	34.969402
"671653"	626.076802	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+Cl"	34.969402
"1284055"	232.005202	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Cl"	34.969402
"26611"	431.020206	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M-2H+K"	36.948606
"468356"	628.056006	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M-2H+K"	36.948606
"842882"	233.984406	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-2H+K"	36.948606
"1567464"	233.984406	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+K-2H"	36.948606
"953160"	242.033994	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-H+HCOOH"	44.998194
"370282"	439.069801	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+HCOOH-H"	44.998201
"356353"	453.085451	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+Hac-H"	59.013851
"1500813"	256.049651	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Hac-H"	59.013851
"971629"	264.015951	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-H+NaCOOH"	66.980151
"122725"	232.005202	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+2Cl"	69.938804
"562284"	330.523102	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+2Cl"	69.938804
"1028902"	133.487302	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2Cl"	69.938804
"1247384"	275.954685	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Br"	78.918885
"1312023"	278.010672	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Cl+HCOOH"	80.974872
"1327334"	299.992629	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Cl+NaCOOH"	102.956829
"917297"	310.021386	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M-H+CF3COOH"	112.985586
"1298381"	345.998064	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Cl+CF3COOH"	148.962264
"1378730"	162.023124	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H-2H2O"	-35.012676
"1389664"	180.0331	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H-H2O"	-17.0027
"290444"	395.078876	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+H"	1.007276
"676060"	592.114676	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+H"	1.007276
"1353746"	198.043076	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H"	1.007276
"126632"	198.043076	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+2H"	2.014552
"566315"	296.560976	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+2H"	2.014552
"1037665"	99.525176	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2H"	2.014552
"205443"	132.364476	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+3H"	3.021828
"659237"	198.043076	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+3H"	3.021828
"1177366"	66.685876	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+3H"	3.021828
"432616"	412.105423	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+NH4"	18.033823
"794703"	609.141223	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+NH4"	18.033823
"1689943"	215.069623	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+NH4"	18.033823
"340773"	206.5563495	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+H+NH4"	19.041099
"733923"	305.0742495	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+H+NH4"	19.041099
"1487742"	108.0384495	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H+NH4"	19.041099
"403140"	417.060818	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+Na"	22.989218
"763043"	614.096618	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+Na"	22.989218
"1613327"	220.025018	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Na"	22.989218
"321909"	209.034047	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+H+Na"	23.996494
"720166"	307.551947	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+H+Na"	23.996494
"1473986"	110.516147	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H+Na"	23.996494
"1061766"	74.01319	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2H+Na"	25.00377
"1265633"	230.069286	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+CH3OH+H"	33.033486
"390768"	433.034758	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+K"	38.963158
"750669"	630.070558	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+K"	38.963158
"1543970"	235.998958	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+K"	38.963158
"302240"	217.021017	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+H+K"	39.970434
"693568"	315.538917	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+H+K"	39.970434
"1450666"	118.503117	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H+K"	39.970434
"242551"	436.105426	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+ACN+H"	42.033826
"1216353"	239.069626	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+ACN+H"	42.033826
"1196225"	120.038451	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+ACN+2H"	43.041102
"191286"	439.04276	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+2Na-H"	44.97116
"630235"	636.07856	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+2Na-H"	44.97116
"1133132"	242.00696	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2Na-H"	44.97116
"174361"	220.025018	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+2Na"	45.978436
"615015"	318.542918	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+2Na"	45.978436
"1116575"	121.507118	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2Na"	45.978436
"1399736"	81.340504	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H+2Na"	46.985712
"1431608"	244.048546	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H+HCOOH"	47.012746
"220494"	225.05804	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+3H2O+2H"	56.04448
"1510097"	258.10059	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+IsoProp+H"	61.06479
"416718"	228.011988	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+Na+K"	61.952376
"775525"	326.529888	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+Na+K"	61.952376
"1665980"	129.494088	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Na+K"	61.952376
"252540"	458.087368	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+ACN+Na"	64.015768
"1226830"	261.051568	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+ACN+Na"	64.015768
"1715964"	261.075093	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+NH4+HCOOH"	64.039293
"1182047"	88.667818	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+3Na"	68.967654
"1656315"	266.030488	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Na+HCOOH"	68.994688
"162085"	470.99064	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+2K-H"	76.91904
"608207"	668.02644	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+2K-H"	76.91904
"1092721"	273.95484	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2K-H"	76.91904
"149538"	235.998958	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"2M+2K"	77.926316
"584357"	334.516858	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"3M+2K"	77.926316
"1073608"	137.481058	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2K"	77.926316
"1103901"	275.969392	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2K+H"	78.933592
"1339922"	276.057007	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+DMSO+H"	79.021207
"1011733"	280.096176	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2ACN+H"	83.060376
"1526577"	281.089808	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+IsoProp+Na+H"	84.054008
"996304"	140.551726	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+2ACN+2H"	84.067652
"1589351"	282.004428	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+K+HCOOH"	84.968628
"1415011"	312.035938	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+H+CF3COOH"	115.000138
"1150041"	161.065001	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+3ACN+2H"	125.094202
"1700688"	329.062485	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+NH4+CF3COOH"	132.026685
"1637431"	334.01788	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+Na+CF3COOH"	136.98208
"1573084"	349.99182	"C01616"	"Tauropine;N2-(D-1-Carboxyethyl)taurine"	"C5H11NO5S"	"197.0358"	"M+K+CF3COOH"	152.95602
"808917"	304.0583	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M"	0
"989261"	285.03991	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H2O-H"	-19.01839
"71791"	201.698257333333	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-3H"	-3.021828
"515362"	303.051024	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-3H"	-3.021828
"889154"	100.345490666667	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-3H"	-3.021828
"4451"	303.051024	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H"	-2.014552
"445104"	455.080174	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H"	-2.014552
"820720"	151.021874	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H"	-2.014552
"81804"	607.109324	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-H"	-1.007276
"530115"	911.167624	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-H"	-1.007276
"902451"	303.051024	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H"	-1.007276
"56828"	624.135871	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H+NH4"	16.019271
"496022"	928.194171	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H+NH4"	16.019271
"870908"	320.077571	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H+NH4"	16.019271
"44280"	629.091266	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H+Na"	20.974666
"483472"	933.149566	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H+Na"	20.974666
"860541"	325.032966	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H+Na"	20.974666
"1630075"	325.032966	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na-2H"	20.974666
"105884"	321.039363	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-H+Cl"	33.962126
"545080"	473.068513	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-H+Cl"	33.962126
"936408"	169.010213	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+Cl"	33.962126
"278246"	643.086002	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Cl"	34.969402
"668118"	947.144302	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+Cl"	34.969402
"1281978"	339.027702	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl"	34.969402
"25626"	645.065206	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H+K"	36.948606
"465185"	949.123506	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H+K"	36.948606
"841535"	341.006906	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H+K"	36.948606
"1566481"	341.006906	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K-2H"	36.948606
"952175"	349.056494	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+HCOOH"	44.998194
"370391"	653.114801	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+HCOOH-H"	44.998201
"356463"	667.130451	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Hac-H"	59.013851
"1500923"	363.072151	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Hac-H"	59.013851
"968457"	371.038451	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+NaCOOH"	66.980151
"121742"	339.027702	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2Cl"	69.938804
"564216"	491.056852	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2Cl"	69.938804
"1032288"	186.998552	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2Cl"	69.938804
"1244211"	382.977185	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Br"	78.918885
"1305930"	385.033172	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl+HCOOH"	80.974872
"1329631"	407.015129	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl+NaCOOH"	102.956829
"918501"	417.043886	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+CF3COOH"	112.985586
"1300678"	453.020564	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl+CF3COOH"	148.962264
"1378840"	269.045624	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H-2H2O"	-35.012676
"1390867"	287.0556	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H-H2O"	-17.0027
"291647"	609.123876	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H"	1.007276
"677509"	913.182176	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H"	1.007276
"1356044"	305.065576	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H"	1.007276
"126620"	305.065576	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2H"	2.014552
"568859"	457.094726	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2H"	2.014552
"1038626"	153.036426	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2H"	2.014552
"206039"	203.712809333333	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+3H"	3.021828
"657887"	305.065576	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+3H"	3.021828
"1176989"	102.360042666667	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+3H"	3.021828
"436006"	626.150423	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+NH4"	18.033823
"798825"	930.208723	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+NH4"	18.033823
"1690052"	322.092123	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+NH4"	18.033823
"340515"	313.5788495	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H+NH4"	19.041099
"735856"	465.6079995	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H+NH4"	19.041099
"1486759"	161.5496995	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+NH4"	19.041099
"402157"	631.105818	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Na"	22.989218
"764248"	935.164118	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+Na"	22.989218
"1613436"	327.047518	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na"	22.989218
"323112"	316.056547	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H+Na"	23.996494
"720886"	468.085697	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H+Na"	23.996494
"1475557"	164.027397	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+Na"	23.996494
"1060783"	109.687356666667	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2H+Na"	25.00377
"1263556"	337.091786	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+CH3OH+H"	33.033486
"391487"	647.079758	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+K"	38.963158
"750780"	951.138058	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+K"	38.963158
"1545173"	343.021458	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K"	38.963158
"304538"	324.043517	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H+K"	39.970434
"694771"	476.072667	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H+K"	39.970434
"1451870"	172.014367	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+K"	39.970434
"240475"	650.150426	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+ACN+H"	42.033826
"1215369"	346.092126	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+ACN+H"	42.033826
"1198158"	173.549701	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+ACN+2H"	43.041102
"192126"	653.08776	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2Na-H"	44.97116
"632779"	957.14606	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2Na-H"	44.97116
"1137378"	349.02946	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2Na-H"	44.97116
"175201"	327.047518	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2Na"	45.978436
"620228"	479.076668	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2Na"	45.978436
"1118265"	175.018368	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2Na"	45.978436
"1400695"	117.014670666667	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+2Na"	46.985712
"1431719"	351.071046	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+HCOOH"	47.012746
"220237"	332.08054	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+3H2O+2H"	56.04448
"1509111"	365.12309	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+IsoProp+H"	61.06479
"416828"	335.034488	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Na+K"	61.952376
"775635"	487.063638	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+Na+K"	61.952376
"1665767"	183.005338	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na+K"	61.952376
"251800"	672.132368	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+ACN+Na"	64.015768
"1226576"	368.074068	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+ACN+Na"	64.015768
"1718990"	368.097593	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+NH4+HCOOH"	64.039293
"1187624"	124.341984666667	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+3Na"	68.967654
"1656426"	373.052988	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na+HCOOH"	68.994688
"163289"	685.03564	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2K-H"	76.91904
"612085"	989.09394	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2K-H"	76.91904
"1093924"	380.97734	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2K-H"	76.91904
"155966"	343.021458	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2K"	77.926316
"585926"	495.050608	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2K"	77.926316
"1074813"	190.992308	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2K"	77.926316
"1105834"	382.991892	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2K+H"	78.933592
"1342219"	383.079507	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+DMSO+H"	79.021207
"1010749"	387.118676	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2ACN+H"	83.060376
"1528874"	388.112308	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+IsoProp+Na+H"	84.054008
"998602"	194.062976	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2ACN+2H"	84.067652
"1589827"	389.026928	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K+HCOOH"	84.968628
"1414759"	419.058438	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+CF3COOH"	115.000138
"1148328"	214.576251	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+3ACN+2H"	125.094202
"1699705"	436.084985	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+NH4+CF3COOH"	132.026685
"1635354"	441.04038	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na+CF3COOH"	136.98208
"1571369"	457.01432	"C01617"	"Taxifolin;Dihydroquercetin;()-Dihydroquercetin;()-Taxifolin;trans-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K+CF3COOH"	152.95602
"805747"	320.1988	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M"	0
"989007"	301.18041	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-H2O-H"	-19.01839
"72995"	212.458590666667	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M-3H"	-3.021828
"516931"	319.191524	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M-3H"	-3.021828
"892544"	105.725657333333	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-3H"	-3.021828
"4561"	319.191524	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M-2H"	-2.014552
"447401"	479.290924	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M-2H"	-2.014552
"823016"	159.092124	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-2H"	-2.014552
"81914"	639.390324	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M-H"	-1.007276
"529861"	959.589124	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M-H"	-1.007276
"903655"	319.191524	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-H"	-1.007276
"57664"	656.416871	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M-2H+NH4"	16.019271
"497589"	976.615671	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M-2H+NH4"	16.019271
"871018"	336.218071	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-2H+NH4"	16.019271
"44024"	661.372266	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M-2H+Na"	20.974666
"485041"	981.571066	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M-2H+Na"	20.974666
"857371"	341.173466	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-2H+Na"	20.974666
"1630185"	341.173466	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Na-2H"	20.974666
"104533"	337.179863	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M-H+Cl"	33.962126
"539718"	497.279263	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M-H+Cl"	33.962126
"935420"	177.080463	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-H+Cl"	33.962126
"277990"	675.367002	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+Cl"	34.969402
"667864"	995.565802	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+Cl"	34.969402
"1283908"	355.168202	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Cl"	34.969402
"24641"	677.346206	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M-2H+K"	36.948606
"464201"	997.545006	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M-2H+K"	36.948606
"838728"	357.147406	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-2H+K"	36.948606
"1563308"	357.147406	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+K-2H"	36.948606
"952285"	365.196994	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-H+HCOOH"	44.998194
"371594"	685.395801	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+HCOOH-H"	44.998201
"357301"	699.411451	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+Hac-H"	59.013851
"1503217"	379.212651	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Hac-H"	59.013851
"968567"	387.178951	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-H+NaCOOH"	66.980151
"121850"	355.168202	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+2Cl"	69.938804
"563962"	515.267602	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+2Cl"	69.938804
"1025471"	195.068802	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2Cl"	69.938804
"1243590"	399.117685	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Br"	78.918885
"1306767"	401.173672	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Cl+HCOOH"	80.974872
"1320982"	423.155629	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Cl+NaCOOH"	102.956829
"918611"	433.184386	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M-H+CF3COOH"	112.985586
"1300787"	469.161064	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Cl+CF3COOH"	148.962264
"1375669"	285.186124	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H-2H2O"	-35.012676
"1386237"	303.1961	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H-H2O"	-17.0027
"289570"	641.404876	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+H"	1.007276
"676523"	961.603676	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+H"	1.007276
"1353602"	321.206076	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H"	1.007276
"128676"	321.206076	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+2H"	2.014552
"566047"	481.305476	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+2H"	2.014552
"1038129"	161.106676	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2H"	2.014552
"205295"	214.473142666667	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+3H"	3.021828
"653619"	321.206076	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+3H"	3.021828
"1171747"	107.740209333333	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+3H"	3.021828
"436115"	658.431423	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+NH4"	18.033823
"798933"	978.630223	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+NH4"	18.033823
"1693441"	338.232623	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+NH4"	18.033823
"341720"	329.7193495	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+H+NH4"	19.041099
"734141"	489.8187495	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+H+NH4"	19.041099
"1489056"	169.6199495	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H+NH4"	19.041099
"402266"	663.386818	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+Na"	22.989218
"766545"	983.585618	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+Na"	22.989218
"1613546"	343.188018	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Na"	22.989218
"323586"	332.197047	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+H+Na"	23.996494
"719293"	492.296447	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+H+Na"	23.996494
"1473114"	172.097647	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H+Na"	23.996494
"1059799"	115.067523333333	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2H+Na"	25.00377
"1268040"	353.232286	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+CH3OH+H"	33.033486
"387708"	679.360758	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+K"	38.963158
"752835"	999.559558	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+K"	38.963158
"1547470"	359.161958	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+K"	38.963158
"303553"	340.184017	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+H+K"	39.970434
"695974"	500.283417	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+H+K"	39.970434
"1453075"	180.084617	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H+K"	39.970434
"246050"	682.431426	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+ACN+H"	42.033826
"1218759"	362.232626	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+ACN+H"	42.033826
"1197175"	181.619951	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+ACN+2H"	43.041102
"191142"	685.36876	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+2Na-H"	44.97116
"629243"	1005.56756	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+2Na-H"	44.97116
"1134208"	365.16996	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2Na-H"	44.97116
"176405"	343.188018	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+2Na"	45.978436
"622525"	503.287418	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+2Na"	45.978436
"1119469"	183.088618	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2Na"	45.978436
"1401899"	122.394837333333	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H+2Na"	46.985712
"1438390"	367.211546	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H+HCOOH"	47.012746
"220794"	348.22104	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+3H2O+2H"	56.04448
"1509950"	381.26359	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+IsoProp+H"	61.06479
"418031"	351.174988	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+Na+K"	61.952376
"776838"	511.274388	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+Na+K"	61.952376
"1666285"	191.075588	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Na+K"	61.952376
"251668"	704.413368	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+ACN+Na"	64.015768
"1228024"	384.214568	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+ACN+Na"	64.015768
"1720193"	384.238093	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+NH4+HCOOH"	64.039293
"1187734"	129.722151333333	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+3Na"	68.967654
"1660908"	389.193488	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Na+HCOOH"	68.994688
"168864"	717.31664	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+2K-H"	76.91904
"612316"	1037.51544	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+2K-H"	76.91904
"1096221"	397.11784	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2K-H"	76.91904
"156684"	359.161958	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"2M+2K"	77.926316
"586036"	519.261358	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"3M+2K"	77.926316
"1076016"	199.062558	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2K"	77.926316
"1107037"	399.132392	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2K+H"	78.933592
"1343421"	399.220007	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+DMSO+H"	79.021207
"1011953"	403.259176	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2ACN+H"	83.060376
"1530077"	404.252808	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+IsoProp+Na+H"	84.054008
"998713"	202.133226	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+2ACN+2H"	84.067652
"1589938"	405.167428	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+K+HCOOH"	84.968628
"1414870"	435.198938	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+H+CF3COOH"	115.000138
"1149167"	222.646501	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+3ACN+2H"	125.094202
"1699815"	452.225485	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+NH4+CF3COOH"	132.026685
"1637651"	457.18088	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+Na+CF3COOH"	136.98208
"1571398"	473.15482	"C01618"	"Testolate"	"C19H28O4"	"320.1988"	"M+K+CF3COOH"	152.95602
"812417"	253.0773	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M"	0
"989443"	234.05891	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-H2O-H"	-19.01839
"74197"	167.710924	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M-3H"	-3.021828
"515944"	252.070024	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M-3H"	-3.021828
"895127"	83.351824	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-3H"	-3.021828
"2482"	252.070024	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M-2H"	-2.014552
"444229"	378.608674	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M-2H"	-2.014552
"825312"	125.531374	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-2H"	-2.014552
"81173"	505.147324	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M-H"	-1.007276
"525958"	758.224624	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M-H"	-1.007276
"904857"	252.070024	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-H"	-1.007276
"52669"	522.173871	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M-2H+NH4"	16.019271
"499886"	775.251171	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M-2H+NH4"	16.019271
"867849"	269.096571	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-2H+NH4"	16.019271
"41216"	527.129266	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M-2H+Na"	20.974666
"485150"	780.206566	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M-2H+Na"	20.974666
"863556"	274.051966	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-2H+Na"	20.974666
"1631388"	274.051966	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Na-2H"	20.974666
"98079"	270.058363	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M-H+Cl"	33.962126
"538732"	396.597013	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M-H+Cl"	33.962126
"930059"	143.519713	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-H+Cl"	33.962126
"274085"	541.124002	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+Cl"	34.969402
"671975"	794.201302	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+Cl"	34.969402
"1274050"	288.046702	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Cl"	34.969402
"18188"	543.103206	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M-2H+K"	36.948606
"461029"	796.180506	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M-2H+K"	36.948606
"834450"	290.025906	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-2H+K"	36.948606
"1559401"	290.025906	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+K-2H"	36.948606
"945095"	298.075494	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-H+HCOOH"	44.998194
"362457"	551.152801	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+HCOOH-H"	44.998201
"347923"	565.168451	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+Hac-H"	59.013851
"1494567"	312.091151	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Hac-H"	59.013851
"963569"	320.057451	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-H+NaCOOH"	66.980151
"118675"	288.046702	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+2Cl"	69.938804
"556052"	414.585352	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+2Cl"	69.938804
"1022542"	161.508052	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2Cl"	69.938804
"1244793"	331.996185	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Br"	78.918885
"1306148"	334.052172	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Cl+HCOOH"	80.974872
"1320844"	356.034129	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Cl+NaCOOH"	102.956829
"919811"	366.062886	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M-H+CF3COOH"	112.985586
"1291418"	402.039564	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Cl+CF3COOH"	148.962264
"1368848"	218.064624	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H-2H2O"	-35.012676
"1383668"	236.0746	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H-H2O"	-17.0027
"283474"	507.161876	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+H"	1.007276
"676378"	760.239176	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+H"	1.007276
"1351999"	254.084576	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H"	1.007276
"125981"	254.084576	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+2H"	2.014552
"566189"	380.623226	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+2H"	2.014552
"1038231"	127.545926	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2H"	2.014552
"205770"	169.725476	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+3H"	3.021828
"648257"	254.084576	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+3H"	3.021828
"1164194"	85.366376	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+3H"	3.021828
"427470"	524.188423	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+NH4"	18.033823
"790656"	777.265723	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+NH4"	18.033823
"1688081"	271.111123	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+NH4"	18.033823
"341828"	262.5978495	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+H+NH4"	19.041099
"733156"	389.1364995	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+H+NH4"	19.041099
"1489165"	136.0591995	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H+NH4"	19.041099
"404564"	529.143818	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+Na"	22.989218
"766653"	782.221118	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+Na"	22.989218
"1612563"	276.066518	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Na"	22.989218
"322603"	265.075547	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+H+Na"	23.996494
"717212"	391.614197	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+H+Na"	23.996494
"1468852"	138.536897	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H+Na"	23.996494
"1061004"	92.69369	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2H+Na"	25.00377
"1264869"	286.110786	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+CH3OH+H"	33.033486
"388908"	545.117758	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+K"	38.963158
"750994"	798.195058	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+K"	38.963158
"1550495"	292.040458	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+K"	38.963158
"309128"	273.062517	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+H+K"	39.970434
"700456"	399.601167	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+H+K"	39.970434
"1458650"	146.523867	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H+K"	39.970434
"246159"	548.188426	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+ACN+H"	42.033826
"1218868"	295.111126	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+ACN+H"	42.033826
"1204938"	148.059201	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+ACN+2H"	43.041102
"202182"	551.12576	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+2Na-H"	44.97116
"634089"	804.20306	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+2Na-H"	44.97116
"1135409"	298.04846	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2Na-H"	44.97116
"178697"	276.066518	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+2Na"	45.978436
"617163"	402.605168	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+2Na"	45.978436
"1118845"	149.527868	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2Na"	45.978436
"1403101"	100.021004	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H+2Na"	46.985712
"1431937"	300.090046	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H+HCOOH"	47.012746
"221633"	281.09954	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+3H2O+2H"	56.04448
"1511151"	314.14209	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+IsoProp+H"	61.06479
"410482"	284.053488	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+Na+K"	61.952376
"771962"	410.592138	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+Na+K"	61.952376
"1667812"	157.514838	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Na+K"	61.952376
"255425"	570.170368	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+ACN+Na"	64.015768
"1230320"	317.093068	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+ACN+Na"	64.015768
"1718114"	317.116593	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+NH4+HCOOH"	64.039293
"1184563"	107.348318	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+3Na"	68.967654
"1658831"	322.071988	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Na+HCOOH"	68.994688
"164598"	583.07364	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+2K-H"	76.91904
"606346"	836.15094	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+2K-H"	76.91904
"1094143"	329.99634	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2K-H"	76.91904
"150959"	292.040458	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"2M+2K"	77.926316
"590518"	418.579108	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"3M+2K"	77.926316
"1078311"	165.501808	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2K"	77.926316
"1108240"	332.010892	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2K+H"	78.933592
"1343533"	332.098507	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+DMSO+H"	79.021207
"1019597"	336.137676	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2ACN+H"	83.060376
"1534562"	337.131308	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+IsoProp+Na+H"	84.054008
"1001009"	168.572476	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+2ACN+2H"	84.067652
"1594420"	338.045928	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+K+HCOOH"	84.968628
"1423360"	368.077438	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+H+CF3COOH"	115.000138
"1151464"	189.085751	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+3ACN+2H"	125.094202
"1698827"	385.103985	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+NH4+CF3COOH"	132.026685
"1634481"	390.05938	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+Na+CF3COOH"	136.98208
"1571712"	406.03332	"C01619"	"Thiorphan"	"C12H15NO3S"	"253.0773"	"M+K+CF3COOH"	152.95602
"805967"	136.0372	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M"	0
"989347"	117.01881	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-H2O-H"	-19.01839
"74307"	89.6841906666667	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M-3H"	-3.021828
"516056"	135.029924	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M-3H"	-3.021828
"895320"	44.3384573333333	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-3H"	-3.021828
"4780"	135.029924	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M-2H"	-2.014552
"444340"	203.048524	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M-2H"	-2.014552
"823236"	67.011324	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-2H"	-2.014552
"85416"	271.067124	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M-H"	-1.007276
"529349"	407.104324	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M-H"	-1.007276
"903875"	135.029924	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-H"	-1.007276
"57155"	288.093671	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M-2H+NH4"	16.019271
"498906"	424.130871	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M-2H+NH4"	16.019271
"870146"	152.056471	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-2H+NH4"	16.019271
"39140"	293.049066	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M-2H+Na"	20.974666
"484897"	429.086266	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M-2H+Na"	20.974666
"861965"	157.011866	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-2H+Na"	20.974666
"1629312"	157.011866	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Na-2H"	20.974666
"103659"	153.018263	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M-H+Cl"	33.962126
"537750"	221.036863	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M-H+Cl"	33.962126
"935639"	84.999663	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-H+Cl"	33.962126
"273104"	307.043802	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+Cl"	34.969402
"668805"	443.081002	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+Cl"	34.969402
"1275009"	171.006602	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Cl"	34.969402
"19391"	309.023006	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M-2H+K"	36.948606
"461139"	445.060206	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M-2H+K"	36.948606
"834926"	172.985806	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-2H+K"	36.948606
"1558050"	172.985806	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+K-2H"	36.948606
"943745"	181.035394	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-H+HCOOH"	44.998194
"361711"	317.072601	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+HCOOH-H"	44.998201
"347667"	331.088251	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+Hac-H"	59.013851
"1498326"	195.051051	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Hac-H"	59.013851
"963315"	203.017351	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-H+NaCOOH"	66.980151
"117693"	171.006602	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+2Cl"	69.938804
"559439"	239.025202	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+2Cl"	69.938804
"1027508"	102.988002	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2Cl"	69.938804
"1243080"	214.956085	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Br"	78.918885
"1305164"	217.012072	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Cl+HCOOH"	80.974872
"1320388"	238.994029	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Cl+NaCOOH"	102.956829
"919921"	249.022786	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M-H+CF3COOH"	112.985586
"1301007"	284.999464	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Cl+CF3COOH"	148.962264
"1372606"	101.024524	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H-2H2O"	-35.012676
"1384995"	119.0345	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H-H2O"	-17.0027
"285045"	273.081676	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+H"	1.007276
"678562"	409.118876	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+H"	1.007276
"1352476"	137.044476	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H"	1.007276
"125968"	137.044476	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+2H"	2.014552
"566138"	205.063076	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+2H"	2.014552
"1037411"	69.025876	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2H"	2.014552
"205392"	91.6987426666667	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+3H"	3.021828
"646180"	137.044476	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+3H"	3.021828
"1163809"	46.3530093333333	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+3H"	3.021828
"427582"	290.108223	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+NH4"	18.033823
"795140"	426.145423	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+NH4"	18.033823
"1696335"	154.071023	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+NH4"	18.033823
"341937"	145.5577495	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+H+NH4"	19.041099
"735453"	213.5763495	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+H+NH4"	19.041099
"1484901"	77.5391495	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H+NH4"	19.041099
"401393"	295.063618	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+Na"	22.989218
"759108"	431.100818	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+Na"	22.989218
"1608302"	159.026418	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Na"	22.989218
"324901"	148.035447	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+H+Na"	23.996494
"716230"	216.054047	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+H+Na"	23.996494
"1471147"	80.016847	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H+Na"	23.996494
"1057833"	53.6803233333333	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2H+Na"	25.00377
"1269353"	169.070686	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+CH3OH+H"	33.033486
"389017"	311.037558	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+K"	38.963158
"746734"	447.074758	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+K"	38.963158
"1550968"	175.000358	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+K"	38.963158
"305958"	156.022417	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+H+K"	39.970434
"698380"	224.041017	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+H+K"	39.970434
"1452202"	88.003817	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H+K"	39.970434
"240802"	314.108226	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+ACN+H"	42.033826
"1213512"	178.071026	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+ACN+H"	42.033826
"1199581"	89.539151	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+ACN+2H"	43.041102
"195732"	317.04556	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+2Na-H"	44.97116
"635293"	453.08276	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+2Na-H"	44.97116
"1138799"	181.00836	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2Na-H"	44.97116
"179902"	159.026418	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+2Na"	45.978436
"616179"	227.045018	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+2Na"	45.978436
"1117498"	91.007818	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2Na"	45.978436
"1400051"	61.0076373333333	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H+2Na"	46.985712
"1434233"	183.049946	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H+HCOOH"	47.012746
"223202"	164.05944	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+3H2O+2H"	56.04448
"1513085"	197.10199	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+IsoProp+H"	61.06479
"410592"	167.013388	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+Na+K"	61.952376
"770976"	235.031988	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+Na+K"	61.952376
"1667922"	98.994788	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Na+K"	61.952376
"255535"	336.090168	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+ACN+Na"	64.015768
"1228968"	200.052968	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+ACN+Na"	64.015768
"1717133"	200.076493	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+NH4+HCOOH"	64.039293
"1184674"	68.3349513333333	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+3Na"	68.967654
"1652014"	205.031888	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Na+HCOOH"	68.994688
"164709"	348.99344	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+2K-H"	76.91904
"607553"	485.03064	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+2K-H"	76.91904
"1094253"	212.95624	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2K-H"	76.91904
"151068"	175.000358	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"2M+2K"	77.926316
"593910"	243.018958	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"3M+2K"	77.926316
"1078421"	106.981758	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2K"	77.926316
"1110538"	214.970792	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2K+H"	78.933592
"1346924"	215.058407	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+DMSO+H"	79.021207
"1018736"	219.097576	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2ACN+H"	83.060376
"1538567"	220.091208	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+IsoProp+Na+H"	84.054008
"1002215"	110.052426	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+2ACN+2H"	84.067652
"1594529"	221.005828	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+K+HCOOH"	84.968628
"1420192"	251.037338	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+H+CF3COOH"	115.000138
"1149387"	130.565701	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+3ACN+2H"	125.094202
"1697845"	268.063885	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+NH4+CF3COOH"	132.026685
"1641154"	273.01928	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+Na+CF3COOH"	136.98208
"1571579"	288.99322	"C01620"	"Threonate;L-Threonate;(2R3S)-234-Trihydroxybutanoic acid"	"C4H8O5"	"136.0372"	"M+K+CF3COOH"	152.95602
"806077"	357.0646	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M"	0
"989855"	338.04621	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-H2O-H"	-19.01839
"71134"	237.035790666667	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M-3H"	-3.021828
"507413"	356.057324	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M-3H"	-3.021828
"893969"	118.014257333333	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-3H"	-3.021828
"14736"	356.057324	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M-2H"	-2.014552
"451012"	534.589624	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M-2H"	-2.014552
"824439"	177.525024	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-2H"	-2.014552
"85526"	713.121924	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M-H"	-1.007276
"529459"	1070.186524	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M-H"	-1.007276
"906171"	356.057324	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-H"	-1.007276
"58358"	730.148471	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M-2H+NH4"	16.019271
"499382"	1087.213071	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M-2H+NH4"	16.019271
"877911"	373.083871	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-2H+NH4"	16.019271
"43625"	735.103866	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M-2H+Na"	20.974666
"485007"	1092.168466	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M-2H+Na"	20.974666
"863940"	378.039266	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-2H+Na"	20.974666
"1631608"	378.039266	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Na-2H"	20.974666
"103769"	374.045663	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M-H+Cl"	33.962126
"541140"	552.577963	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M-H+Cl"	33.962126
"933561"	195.513363	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-H+Cl"	33.962126
"273213"	749.098602	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+Cl"	34.969402
"668915"	1106.163202	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+Cl"	34.969402
"1273784"	392.034002	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Cl"	34.969402
"18773"	751.077806	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M-2H+K"	36.948606
"459062"	1108.142406	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M-2H+K"	36.948606
"837957"	394.013206	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-2H+K"	36.948606
"1557434"	394.013206	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+K-2H"	36.948606
"946046"	402.062794	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-H+HCOOH"	44.998194
"363167"	759.127401	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+HCOOH-H"	44.998201
"347415"	773.143051	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+Hac-H"	59.013851
"1498074"	416.078451	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Hac-H"	59.013851
"963789"	424.044751	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-H+NaCOOH"	66.980151
"117803"	392.034002	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+2Cl"	69.938804
"558456"	570.566302	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+2Cl"	69.938804
"1027254"	213.501702	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2Cl"	69.938804
"1243919"	435.983485	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Br"	78.918885
"1306368"	438.039472	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Cl+HCOOH"	80.974872
"1321311"	460.021429	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Cl+NaCOOH"	102.956829
"914928"	470.050186	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M-H+CF3COOH"	112.985586
"1301117"	506.026864	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Cl+CF3COOH"	148.962264
"1375997"	322.051924	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H-2H2O"	-35.012676
"1384376"	340.0619	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H-H2O"	-17.0027
"284427"	715.136476	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+H"	1.007276
"678673"	1072.201076	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+H"	1.007276
"1351334"	358.071876	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H"	1.007276
"126081"	358.071876	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+2H"	2.014552
"566371"	536.604176	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+2H"	2.014552
"1037080"	179.539576	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2H"	2.014552
"205503"	239.050342666667	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+3H"	3.021828
"647384"	358.071876	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+3H"	3.021828
"1163676"	120.028809333333	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+3H"	3.021828
"427692"	732.163023	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+NH4"	18.033823
"795250"	1089.227623	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+NH4"	18.033823
"1693769"	375.098423	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+NH4"	18.033823
"344234"	366.5851495	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+H+NH4"	19.041099
"736656"	545.1174495	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+H+NH4"	19.041099
"1488292"	188.0528495	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H+NH4"	19.041099
"402598"	737.118418	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+Na"	22.989218
"763591"	1094.183018	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+Na"	22.989218
"1609505"	380.053818	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Na"	22.989218
"325012"	369.062847	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+H+Na"	23.996494
"716340"	547.595147	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+H+Na"	23.996494
"1475513"	190.530547	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H+Na"	23.996494
"1063412"	127.356123333333	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2H+Na"	25.00377
"1269463"	390.098086	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+CH3OH+H"	33.033486
"389126"	753.092358	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+K"	38.963158
"750121"	1110.156958	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+K"	38.963158
"1548895"	396.027758	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+K"	38.963158
"306071"	377.049817	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+H+K"	39.970434
"701774"	555.582117	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+H+K"	39.970434
"1455593"	198.517517	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H+K"	39.970434
"244194"	756.163026	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+ACN+H"	42.033826
"1217997"	399.098426	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+ACN+H"	42.033826
"1202971"	200.052851	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+ACN+2H"	43.041102
"195842"	759.10036	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+2Na-H"	44.97116
"635403"	1116.16496	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+2Na-H"	44.97116
"1138909"	402.03576	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2Na-H"	44.97116
"178919"	380.053818	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+2Na"	45.978436
"616289"	558.586118	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+2Na"	45.978436
"1117608"	201.521518	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2Na"	45.978436
"1403320"	134.683437333333	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H+2Na"	46.985712
"1436530"	404.077346	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H+HCOOH"	47.012746
"224041"	385.08684	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+3H2O+2H"	56.04448
"1513195"	418.12939	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+IsoProp+H"	61.06479
"411066"	388.040788	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+Na+K"	61.952376
"770722"	566.573088	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+Na+K"	61.952376
"1670219"	209.508488	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Na+K"	61.952376
"253093"	778.144968	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+ACN+Na"	64.015768
"1227986"	421.080368	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+ACN+Na"	64.015768
"1718336"	421.103893	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+NH4+HCOOH"	64.039293
"1183690"	142.010751333333	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+3Na"	68.967654
"1655769"	426.059288	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Na+HCOOH"	68.994688
"165912"	791.04824	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+2K-H"	76.91904
"608756"	1148.11284	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+2K-H"	76.91904
"1092176"	433.98364	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2K-H"	76.91904
"151178"	396.027758	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"2M+2K"	77.926316
"591833"	574.560058	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"3M+2K"	77.926316
"1080717"	217.495458	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2K"	77.926316
"1109554"	435.998192	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2K+H"	78.933592
"1347034"	436.085807	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+DMSO+H"	79.021207
"1017751"	440.124976	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2ACN+H"	83.060376
"1537942"	441.118608	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+IsoProp+Na+H"	84.054008
"1001230"	220.566126	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+2ACN+2H"	84.067652
"1590632"	442.033228	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+K+HCOOH"	84.968628
"1420302"	472.064738	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+H+CF3COOH"	115.000138
"1149861"	241.079401	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+3ACN+2H"	125.094202
"1698683"	489.091285	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+NH4+CF3COOH"	132.026685
"1641264"	494.04668	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+Na+CF3COOH"	136.98208
"1572661"	510.02062	"C01621"	"Tolrestat"	"C16H14F3NO3S"	"357.0646"	"M+K+CF3COOH"	152.95602
"806187"	536.0445	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M"	0
"987377"	517.02611	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-H2O-H"	-19.01839
"71244"	356.355724	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M-3H"	-3.021828
"507523"	535.037224	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M-3H"	-3.021828
"892985"	177.674224	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-3H"	-3.021828
"11562"	535.037224	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M-2H"	-2.014552
"454402"	803.059474	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M-2H"	-2.014552
"825641"	267.014974	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-2H"	-2.014552
"93048"	1071.081724	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M-H"	-1.007276
"529569"	1607.126224	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M-H"	-1.007276
"900812"	535.037224	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-H"	-1.007276
"58466"	1088.108271	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+NH4"	16.019271
"499125"	1624.152771	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+NH4"	16.019271
"872552"	552.063771	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-2H+NH4"	16.019271
"39358"	1093.063666	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+Na"	20.974666
"480011"	1629.108166	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+Na"	20.974666
"861092"	557.019166	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-2H+Na"	20.974666
"1629532"	557.019166	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Na-2H"	20.974666
"97316"	553.025563	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M-H+Cl"	33.962126
"539063"	821.047813	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M-H+Cl"	33.962126
"929661"	285.003313	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-H+Cl"	33.962126
"268216"	1107.058402	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+Cl"	34.969402
"666838"	1643.102902	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+Cl"	34.969402
"1273775"	571.013902	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Cl"	34.969402
"18518"	1109.037606	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+K"	36.948606
"459172"	1645.082106	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+K"	36.948606
"837338"	572.993106	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-2H+K"	36.948606
"1556935"	572.993106	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+K-2H"	36.948606
"944334"	581.042694	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-H+HCOOH"	44.998194
"363641"	1117.087201	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+HCOOH-H"	44.998201
"346144"	1131.102851	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+Hac-H"	59.013851
"1497453"	595.058351	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Hac-H"	59.013851
"961712"	603.024651	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-H+NaCOOH"	66.980151
"114267"	571.013902	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+2Cl"	69.938804
"553096"	839.036152	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+2Cl"	69.938804
"1024812"	302.991652	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2Cl"	69.938804
"1243664"	614.963385	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Br"	78.918885
"1307571"	617.019372	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+HCOOH"	80.974872
"1320156"	639.001329	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+NaCOOH"	102.956829
"911789"	649.030086	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M-H+CF3COOH"	112.985586
"1288649"	685.006764	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+CF3COOH"	148.962264
"1368446"	501.031824	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H-2H2O"	-35.012676
"1384486"	519.0418	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H-H2O"	-17.0027
"283683"	1073.096276	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+H"	1.007276
"676594"	1609.140776	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+H"	1.007276
"1351479"	537.051776	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H"	1.007276
"126190"	537.051776	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+2H"	2.014552
"566484"	805.074026	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+2H"	2.014552
"1038199"	269.029526	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2H"	2.014552
"204469"	358.370276	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+3H"	3.021828
"648587"	537.051776	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+3H"	3.021828
"1163181"	179.688776	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+3H"	3.021828
"432175"	1090.122823	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+NH4"	18.033823
"792079"	1626.167323	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+NH4"	18.033823
"1696066"	554.078323	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+NH4"	18.033823
"343859"	545.5650495	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+H+NH4"	19.041099
"736766"	813.5872995	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+H+NH4"	19.041099
"1488399"	277.5427995	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H+NH4"	19.041099
"407810"	1095.078218	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+Na"	22.989218
"762608"	1631.122718	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+Na"	22.989218
"1609615"	559.033718	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Na"	22.989218
"324029"	548.042747	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+H+Na"	23.996494
"718637"	816.064997	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+H+Na"	23.996494
"1475621"	280.020497	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H+Na"	23.996494
"1062428"	187.01609	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2H+Na"	25.00377
"1270666"	569.077986	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+CH3OH+H"	33.033486
"389236"	1111.052158	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+K"	38.963158
"749138"	1647.096658	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+K"	38.963158
"1544631"	575.007658	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+K"	38.963158
"308366"	556.029717	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+H+K"	39.970434
"698601"	824.051967	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+H+K"	39.970434
"1454609"	288.007467	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H+K"	39.970434
"242117"	1114.122826	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+H"	42.033826
"1213733"	578.078326	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+H"	42.033826
"1197614"	289.542801	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+2H"	43.041102
"192672"	1117.06016	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na-H"	44.97116
"634420"	1653.10466	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na-H"	44.97116
"1139019"	581.01566	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2Na-H"	44.97116
"177934"	559.033718	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na"	45.978436
"618586"	827.055968	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na"	45.978436
"1117718"	291.011468	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2Na"	45.978436
"1402337"	194.343404	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H+2Na"	46.985712
"1438098"	583.057246	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H+HCOOH"	47.012746
"224149"	564.06674	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+3H2O+2H"	56.04448
"1515127"	597.10929	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+H"	61.06479
"411176"	567.020688	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+Na+K"	61.952376
"770468"	835.042938	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+Na+K"	61.952376
"1670329"	298.998438	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Na+K"	61.952376
"253202"	1136.104768	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+Na"	64.015768
"1227731"	600.060268	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+Na"	64.015768
"1716259"	600.083793	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+HCOOH"	64.039293
"1183800"	201.670718	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+3Na"	68.967654
"1655879"	605.039188	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Na+HCOOH"	68.994688
"163835"	1149.00804	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+2K-H"	76.91904
"607772"	1685.05254	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+2K-H"	76.91904
"1093379"	612.96354	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2K-H"	76.91904
"152380"	575.007658	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"2M+2K"	77.926316
"591943"	843.029908	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"3M+2K"	77.926316
"1079734"	306.985408	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2K"	77.926316
"1109664"	614.978092	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2K+H"	78.933592
"1347144"	615.065707	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+DMSO+H"	79.021207
"1014581"	619.104876	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+H"	83.060376
"1538174"	620.098508	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+Na+H"	84.054008
"1000247"	310.056076	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+2H"	84.067652
"1590378"	621.013128	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+K+HCOOH"	84.968628
"1419319"	651.044638	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+H+CF3COOH"	115.000138
"1149606"	330.569351	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+3ACN+2H"	125.094202
"1698428"	668.071185	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+CF3COOH"	132.026685
"1641374"	673.02658	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+Na+CF3COOH"	136.98208
"1572042"	689.00052	"C01623"	"UDP-apiose;UDP-D-apiose;UDP-alpha-D-apiose"	"C14H22N2O16P2"	"536.0445"	"M+K+CF3COOH"	152.95602
"806297"	178.063	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M"	0
"984207"	159.04461	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-H2O-H"	-19.01839
"72447"	117.701390666667	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M-3H"	-3.021828
"507633"	177.055724	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M-3H"	-3.021828
"893095"	58.3470573333333	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-3H"	-3.021828
"11671"	177.055724	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M-2H"	-2.014552
"451233"	266.087224	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M-2H"	-2.014552
"824658"	88.024224	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-2H"	-2.014552
"90847"	355.118724	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M-H"	-1.007276
"528586"	533.181724	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M-H"	-1.007276
"900922"	177.055724	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-H"	-1.007276
"56390"	372.145271	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M-2H+NH4"	16.019271
"498870"	550.208271	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M-2H+NH4"	16.019271
"872661"	194.082271	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-2H+NH4"	16.019271
"38374"	377.100666	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M-2H+Na"	20.974666
"475748"	555.163666	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M-2H+Na"	20.974666
"860108"	199.037666	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-2H+Na"	20.974666
"1628549"	199.037666	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Na-2H"	20.974666
"94585"	195.044063	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M-H+Cl"	33.962126
"534631"	284.075563	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M-H+Cl"	33.962126
"929407"	106.012563	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-H+Cl"	33.962126
"267962"	391.095402	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+Cl"	34.969402
"666948"	569.158402	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+Cl"	34.969402
"1274006"	213.032402	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Cl"	34.969402
"17169"	393.074606	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M-2H+K"	36.948606
"459282"	571.137606	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M-2H+K"	36.948606
"836354"	215.011606	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-2H+K"	36.948606
"1556559"	215.011606	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+K-2H"	36.948606
"943307"	223.061194	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-H+HCOOH"	44.998194
"361531"	401.124201	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+HCOOH-H"	44.998201
"345931"	415.139851	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+Hac-H"	59.013851
"1496469"	237.076851	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Hac-H"	59.013851
"960364"	245.043151	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-H+NaCOOH"	66.980151
"114377"	213.032402	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+2Cl"	69.938804
"555030"	302.063902	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+2Cl"	69.938804
"1025651"	124.000902	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2Cl"	69.938804
"1242315"	256.981885	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Br"	78.918885
"1307681"	259.037872	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Cl+HCOOH"	80.974872
"1320188"	281.019829	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Cl+NaCOOH"	102.956829
"911532"	291.048586	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M-H+CF3COOH"	112.985586
"1288927"	327.025264	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Cl+CF3COOH"	148.962264
"1374026"	143.050324	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H-2H2O"	-35.012676
"1384600"	161.0603	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H-H2O"	-17.0027
"285010"	357.133276	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+H"	1.007276
"677434"	535.196276	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+H"	1.007276
"1351957"	179.070276	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H"	1.007276
"126093"	179.070276	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+2H"	2.014552
"565980"	268.101776	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+2H"	2.014552
"1037698"	90.038776	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2H"	2.014552
"206205"	119.715942666667	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+3H"	3.021828
"647602"	179.070276	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+3H"	3.021828
"1163294"	60.3616093333333	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+3H"	3.021828
"433379"	374.159823	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+NH4"	18.033823
"792188"	552.222823	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+NH4"	18.033823
"1695083"	196.096823	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+NH4"	18.033823
"344212"	187.5835495	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+H+NH4"	19.041099
"736876"	276.6150495	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+H+NH4"	19.041099
"1488509"	98.5520495	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H+NH4"	19.041099
"407556"	379.115218	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+Na"	22.989218
"767092"	557.178218	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+Na"	22.989218
"1609724"	201.052218	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Na"	22.989218
"321952"	190.061247	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+H+Na"	23.996494
"716560"	279.092747	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+H+Na"	23.996494
"1471479"	101.029747	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H+Na"	23.996494
"1061444"	67.6889233333333	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2H+Na"	25.00377
"1267494"	211.096486	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+CH3OH+H"	33.033486
"386066"	395.089158	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+K"	38.963158
"745969"	573.152158	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+K"	38.963158
"1543648"	217.026158	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+K"	38.963158
"304104"	198.048217	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+H+K"	39.970434
"695432"	287.079717	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+H+K"	39.970434
"1450346"	109.016717	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H+K"	39.970434
"241134"	398.159826	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+ACN+H"	42.033826
"1212750"	220.096826	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+ACN+H"	42.033826
"1198819"	110.552051	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+ACN+2H"	43.041102
"192783"	401.09716	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+2Na-H"	44.97116
"632343"	579.16016	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+2Na-H"	44.97116
"1138036"	223.03416	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2Na-H"	44.97116
"179139"	201.052218	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+2Na"	45.978436
"616511"	290.083718	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+2Na"	45.978436
"1118556"	112.020718	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2Na"	45.978436
"1400261"	75.0162373333333	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H+2Na"	46.985712
"1433471"	225.075746	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H+HCOOH"	47.012746
"221707"	206.08524	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+3H2O+2H"	56.04448
"1512686"	239.12779	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+IsoProp+H"	61.06479
"408812"	209.039188	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+Na+K"	61.952376
"770818"	298.070688	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+Na+K"	61.952376
"1668981"	120.007688	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Na+K"	61.952376
"252948"	420.141768	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+ACN+Na"	64.015768
"1227112"	242.078768	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+ACN+Na"	64.015768
"1714183"	242.102293	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+NH4+HCOOH"	64.039293
"1181724"	82.3435513333333	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+3Na"	68.967654
"1651980"	247.057688	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Na+HCOOH"	68.994688
"162852"	433.04504	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+2K-H"	76.91904
"604600"	611.10804	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+2K-H"	76.91904
"1092394"	254.98204	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2K-H"	76.91904
"149210"	217.026158	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"2M+2K"	77.926316
"593146"	306.057658	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"3M+2K"	77.926316
"1080938"	127.994658	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2K"	77.926316
"1114636"	256.996592	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2K+H"	78.933592
"1347254"	257.084207	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+DMSO+H"	79.021207
"1016878"	261.123376	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2ACN+H"	83.060376
"1539261"	262.117008	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+IsoProp+Na+H"	84.054008
"1002179"	131.065326	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+2ACN+2H"	84.067652
"1588664"	263.031628	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+K+HCOOH"	84.968628
"1417240"	293.063138	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+H+CF3COOH"	115.000138
"1148378"	151.578601	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+3ACN+2H"	125.094202
"1697809"	310.089685	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+NH4+CF3COOH"	132.026685
"1641484"	315.04508	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+Na+CF3COOH"	136.98208
"1572395"	331.01902	"C01624"	"Vermelone;34-Dihydro-38-dihydroxy-1(2H)-naphthalenone"	"C10H10O3"	"178.063"	"M+K+CF3COOH"	152.95602
"806407"	312.1056	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M"	0
"983223"	293.08721	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-H2O-H"	-19.01839
"72557"	207.063124	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M-3H"	-3.021828
"508836"	311.098324	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M-3H"	-3.021828
"893204"	103.027924	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-3H"	-3.021828
"12874"	311.098324	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M-2H"	-2.014552
"452435"	467.151124	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M-2H"	-2.014552
"825861"	155.045524	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-2H"	-2.014552
"91686"	623.203924	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M-H"	-1.007276
"526507"	935.309524	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M-H"	-1.007276
"903219"	311.098324	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-H"	-1.007276
"57593"	640.230471	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M-2H+NH4"	16.019271
"498249"	952.336071	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M-2H+NH4"	16.019271
"873864"	328.124871	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-2H+NH4"	16.019271
"42858"	645.185866	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M-2H+Na"	20.974666
"482418"	957.291466	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M-2H+Na"	20.974666
"861311"	333.080266	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-2H+Na"	20.974666
"1629752"	333.080266	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Na-2H"	20.974666
"96439"	329.086663	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M-H+Cl"	33.962126
"535998"	485.139463	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M-H+Cl"	33.962126
"929517"	173.033863	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-H+Cl"	33.962126
"269165"	659.180602	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+Cl"	34.969402
"668151"	971.286202	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+Cl"	34.969402
"1275088"	347.075002	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Cl"	34.969402
"17765"	661.159806	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M-2H+K"	36.948606
"461579"	973.265406	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M-2H+K"	36.948606
"835371"	349.054206	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-2H+K"	36.948606
"1557765"	349.054206	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+K-2H"	36.948606
"944188"	357.103794	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-H+HCOOH"	44.998194
"363133"	669.209401	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+HCOOH-H"	44.998201
"347743"	683.225051	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+Hac-H"	59.013851
"1493661"	371.119451	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Hac-H"	59.013851
"959014"	379.085751	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-H+NaCOOH"	66.980151
"113027"	347.075002	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+2Cl"	69.938804
"551493"	503.127802	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+2Cl"	69.938804
"1024302"	191.022202	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2Cl"	69.938804
"1241416"	391.024485	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Br"	78.918885
"1304867"	393.080472	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Cl+HCOOH"	80.974872
"1322003"	415.062429	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Cl+NaCOOH"	102.956829
"911849"	425.091186	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M-H+CF3COOH"	112.985586
"1288524"	461.067864	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Cl+CF3COOH"	148.962264
"1371948"	277.092924	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H-2H2O"	-35.012676
"1384341"	295.1029	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H-H2O"	-17.0027
"283012"	625.218476	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+H"	1.007276
"677182"	937.324076	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+H"	1.007276
"1351949"	313.112876	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H"	1.007276
"125755"	313.112876	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+2H"	2.014552
"565705"	469.165676	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+2H"	2.014552
"1037110"	157.060076	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2H"	2.014552
"204286"	209.077676	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+3H"	3.021828
"645525"	313.112876	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+3H"	3.021828
"1162915"	105.042476	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+3H"	3.021828
"433489"	642.245023	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+NH4"	18.033823
"795579"	954.350623	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+NH4"	18.033823
"1694827"	330.139423	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+NH4"	18.033823
"341284"	321.6261495	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+H+NH4"	19.041099
"738205"	477.6789495	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+H+NH4"	19.041099
"1491535"	165.5733495	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H+NH4"	19.041099
"408154"	647.200418	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+Na"	22.989218
"767201"	959.306018	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+Na"	22.989218
"1613113"	335.094818	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Na"	22.989218
"320966"	324.103847	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+H+Na"	23.996494
"716670"	480.156647	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+H+Na"	23.996494
"1473775"	168.051047	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H+Na"	23.996494
"1063742"	112.36979	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2H+Na"	25.00377
"1270883"	345.139086	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+CH3OH+H"	33.033486
"386176"	663.174358	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+K"	38.963158
"747172"	975.279958	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+K"	38.963158
"1545946"	351.068758	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+K"	38.963158
"307495"	332.090817	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+H+K"	39.970434
"698822"	488.143617	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+H+K"	39.970434
"1454830"	176.038017	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H+K"	39.970434
"244524"	666.245026	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+ACN+H"	42.033826
"1217233"	354.139426	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+ACN+H"	42.033826
"1202209"	177.573351	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+ACN+2H"	43.041102
"198359"	669.18236	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+2Na-H"	44.97116
"635732"	981.28796	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+2Na-H"	44.97116
"1138146"	357.07676	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2Na-H"	44.97116
"179249"	335.094818	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+2Na"	45.978436
"619900"	491.147618	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+2Na"	45.978436
"1117084"	179.042018	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2Na"	45.978436
"1400371"	119.697104	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H+2Na"	46.985712
"1434674"	359.118346	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H+HCOOH"	47.012746
"223277"	340.12784	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+3H2O+2H"	56.04448
"1514619"	373.17039	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+IsoProp+H"	61.06479
"409087"	343.081788	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+Na+K"	61.952376
"770115"	499.134588	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+Na+K"	61.952376
"1667998"	187.028988	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Na+K"	61.952376
"252693"	688.226968	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+ACN+Na"	64.015768
"1226043"	376.121368	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+ACN+Na"	64.015768
"1716479"	376.144893	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+NH4+HCOOH"	64.039293
"1180741"	127.024418	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+3Na"	68.967654
"1652819"	381.100288	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Na+HCOOH"	68.994688
"160774"	701.13024	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+2K-H"	76.91904
"606897"	1013.23584	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+2K-H"	76.91904
"1094691"	389.02464	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2K-H"	76.91904
"149320"	351.068758	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"2M+2K"	77.926316
"594227"	507.121558	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"3M+2K"	77.926316
"1083482"	195.015958	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2K"	77.926316
"1114628"	391.039192	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2K+H"	78.933592
"1349551"	391.126807	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+DMSO+H"	79.021207
"1020026"	395.165976	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2ACN+H"	83.060376
"1538398"	396.159608	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+IsoProp+Na+H"	84.054008
"1003747"	198.086626	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+2ACN+2H"	84.067652
"1590596"	397.074228	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+K+HCOOH"	84.968628
"1416259"	427.105738	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+H+CF3COOH"	115.000138
"1147516"	218.599901	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+3ACN+2H"	125.094202
"1697225"	444.132285	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+NH4+CF3COOH"	132.026685
"1641594"	449.08768	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+Na+CF3COOH"	136.98208
"1571896"	465.06162	"C01625"	"Vicianose;O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose"	"C11H20O10"	"312.1056"	"M+K+CF3COOH"	152.95602
"806517"	456.226	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M"	0
"984426"	437.20761	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-H2O-H"	-19.01839
"73760"	303.143390666667	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M-3H"	-3.021828
"507853"	455.218724	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M-3H"	-3.021828
"895461"	151.068057333333	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-3H"	-3.021828
"12984"	455.218724	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M-2H"	-2.014552
"452544"	683.331724	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M-2H"	-2.014552
"824878"	227.105724	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-2H"	-2.014552
"91431"	911.444724	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M-H"	-1.007276
"526617"	1367.670724	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M-H"	-1.007276
"907338"	455.218724	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-H"	-1.007276
"56609"	928.471271	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M-2H+NH4"	16.019271
"500180"	1384.697271	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M-2H+NH4"	16.019271
"876160"	472.245271	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-2H+NH4"	16.019271
"43696"	933.426666	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M-2H+Na"	20.974666
"483257"	1389.652666	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M-2H+Na"	20.974666
"860328"	477.200666	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-2H+Na"	20.974666
"1627675"	477.200666	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Na-2H"	20.974666
"95698"	473.207063	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M-H+Cl"	33.962126
"536230"	701.320063	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M-H+Cl"	33.962126
"930720"	245.094063	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-H+Cl"	33.962126
"268302"	947.421402	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+Cl"	34.969402
"667168"	1403.647402	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+Cl"	34.969402
"1274345"	491.195402	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Cl"	34.969402
"18847"	949.400606	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M-2H+K"	36.948606
"458406"	1405.626606	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M-2H+K"	36.948606
"835481"	493.174606	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-2H+K"	36.948606
"1558604"	493.174606	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+K-2H"	36.948606
"943569"	501.224194	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-H+HCOOH"	44.998194
"362877"	957.450201	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+HCOOH-H"	44.998201
"346760"	971.465851	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+Hac-H"	59.013851
"1493083"	515.239851	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Hac-H"	59.013851
"958882"	523.206151	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-H+NaCOOH"	66.980151
"113137"	491.195402	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+2Cl"	69.938804
"551481"	719.308402	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+2Cl"	69.938804
"1021735"	263.082402	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2Cl"	69.938804
"1242289"	535.144885	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Br"	78.918885
"1305465"	537.200872	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Cl+HCOOH"	80.974872
"1323935"	559.182829	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Cl+NaCOOH"	102.956829
"912081"	569.211586	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M-H+CF3COOH"	112.985586
"1288905"	605.188264	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Cl+CF3COOH"	148.962264
"1371330"	421.213324	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H-2H2O"	-35.012676
"1384087"	439.2233	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H-H2O"	-17.0027
"282914"	913.459276	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+H"	1.007276
"677657"	1369.685276	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+H"	1.007276
"1351374"	457.233276	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H"	1.007276
"125781"	457.233276	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+2H"	2.014552
"565826"	685.346276	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+2H"	2.014552
"1037218"	229.120276	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2H"	2.014552
"204601"	305.157942666667	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+3H"	3.021828
"644276"	457.233276	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+3H"	3.021828
"1162768"	153.082609333333	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+3H"	3.021828
"433598"	930.485823	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+NH4"	18.033823
"796782"	1386.711823	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+NH4"	18.033823
"1693114"	474.259823	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+NH4"	18.033823
"342487"	465.7465495	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+H+NH4"	19.041099
"738469"	693.8595495	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+H+NH4"	19.041099
"1491281"	237.6335495	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H+NH4"	19.041099
"408140"	935.441218	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+Na"	22.989218
"767311"	1391.667218	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+Na"	22.989218
"1618399"	479.215218	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Na"	22.989218
"329933"	468.224247	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+H+Na"	23.996494
"721877"	696.337247	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+H+Na"	23.996494
"1474978"	240.111247	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H+Na"	23.996494
"1064944"	160.409923333333	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2H+Na"	25.00377
"1270630"	489.259486	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+CH3OH+H"	33.033486
"385193"	951.415158	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+K"	38.963158
"747282"	1407.641158	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+K"	38.963158
"1547149"	495.189158	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+K"	38.963158
"305417"	476.211217	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+H+K"	39.970434
"700026"	704.324217	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+H+K"	39.970434
"1452753"	248.098217	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H+K"	39.970434
"241354"	954.485826	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+ACN+H"	42.033826
"1217343"	498.259826	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+ACN+H"	42.033826
"1199039"	249.633551	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+ACN+2H"	43.041102
"196282"	957.42316	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+2Na-H"	44.97116
"635843"	1413.64916	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+2Na-H"	44.97116
"1138256"	501.19716	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2Na-H"	44.97116
"181545"	479.215218	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+2Na"	45.978436
"618917"	707.328218	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+2Na"	45.978436
"1117321"	251.102218	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2Na"	45.978436
"1403761"	167.737237333333	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H+2Na"	46.985712
"1435877"	503.238746	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H+HCOOH"	47.012746
"222292"	484.24824	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+3H2O+2H"	56.04448
"1514729"	517.29079	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+IsoProp+H"	61.06479
"409684"	487.202188	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+Na+K"	61.952376
"770675"	715.315188	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+Na+K"	61.952376
"1670659"	259.089188	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Na+K"	61.952376
"253897"	976.467768	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+ACN+Na"	64.015768
"1226236"	520.241768	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+ACN+Na"	64.015768
"1718775"	520.265293	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+NH4+HCOOH"	64.039293
"1184130"	175.064551333333	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+3Na"	68.967654
"1654022"	525.220688	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Na+HCOOH"	68.994688
"160884"	989.37104	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+2K-H"	76.91904
"607006"	1445.59704	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+2K-H"	76.91904
"1094800"	533.14504	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2K-H"	76.91904
"146149"	495.189158	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"2M+2K"	77.926316
"592271"	723.302158	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"3M+2K"	77.926316
"1082251"	267.076158	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2K"	77.926316
"1113275"	535.159592	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2K+H"	78.933592
"1349661"	535.247207	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+DMSO+H"	79.021207
"1019284"	539.286376	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2ACN+H"	83.060376
"1537409"	540.280008	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+IsoProp+Na+H"	84.054008
"1002765"	270.146826	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+2ACN+2H"	84.067652
"1589613"	541.194628	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+K+HCOOH"	84.968628
"1419647"	571.226138	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+H+CF3COOH"	115.000138
"1149208"	290.660101	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+3ACN+2H"	125.094202
"1699853"	588.252685	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+NH4+CF3COOH"	132.026685
"1641704"	593.20808	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+Na+CF3COOH"	136.98208
"1572981"	609.18202	"C01626"	"Vindoline"	"C25H32N2O6"	"456.226"	"M+K+CF3COOH"	152.95602
"809910"	282.0951	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M"	0
"985631"	263.07671	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-H2O-H"	-19.01839
"64030"	187.056124	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M-3H"	-3.021828
"512342"	281.087824	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M-3H"	-3.021828
"886863"	93.024424	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-3H"	-3.021828
"9812"	281.087824	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M-2H"	-2.014552
"449374"	422.135374	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M-2H"	-2.014552
"821709"	140.040274	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-2H"	-2.014552
"87168"	563.182924	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M-H"	-1.007276
"522355"	845.278024	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M-H"	-1.007276
"904531"	281.087824	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-H"	-1.007276
"56719"	580.209471	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M-2H+NH4"	16.019271
"497373"	862.304571	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M-2H+NH4"	16.019271
"874084"	298.114371	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-2H+NH4"	16.019271
"41620"	585.164866	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M-2H+Na"	20.974666
"482637"	867.259966	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M-2H+Na"	20.974666
"851691"	303.069766	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-2H+Na"	20.974666
"1619644"	303.069766	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Na-2H"	20.974666
"94352"	299.076163	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M-H+Cl"	33.962126
"534282"	440.123713	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M-H+Cl"	33.962126
"929741"	158.028613	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-H+Cl"	33.962126
"271577"	599.159602	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+Cl"	34.969402
"663998"	881.254702	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+Cl"	34.969402
"1274089"	317.064502	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Cl"	34.969402
"15869"	601.138806	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M-2H+K"	36.948606
"456279"	883.233906	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M-2H+K"	36.948606
"835226"	319.043706	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-2H+K"	36.948606
"1561995"	319.043706	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+K-2H"	36.948606
"945139"	327.093294	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-H+HCOOH"	44.998194
"366636"	609.188401	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+HCOOH-H"	44.998201
"346626"	623.204051	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+Hac-H"	59.013851
"1494968"	341.108951	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Hac-H"	59.013851
"960329"	349.075251	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-H+NaCOOH"	66.980151
"117257"	317.064502	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+2Cl"	69.938804
"551349"	458.112052	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+2Cl"	69.938804
"1021974"	176.016952	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2Cl"	69.938804
"1242647"	361.013985	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Br"	78.918885
"1306922"	363.069972	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Cl+HCOOH"	80.974872
"1321257"	385.051929	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Cl+NaCOOH"	102.956829
"916211"	395.080686	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M-H+CF3COOH"	112.985586
"1291824"	431.057364	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Cl+CF3COOH"	148.962264
"1372174"	247.082424	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H-2H2O"	-35.012676
"1386753"	265.0924	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H-H2O"	-17.0027
"283641"	565.197476	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+H"	1.007276
"676671"	847.292576	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+H"	1.007276
"1351506"	283.102376	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H"	1.007276
"125816"	283.102376	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+2H"	2.014552
"566305"	424.149926	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+2H"	2.014552
"1037221"	142.054826	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2H"	2.014552
"205334"	189.070676	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+3H"	3.021828
"652309"	283.102376	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+3H"	3.021828
"1175906"	95.038976	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+3H"	3.021828
"433710"	582.224023	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+NH4"	18.033823
"795799"	864.319123	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+NH4"	18.033823
"1693223"	300.128923	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+NH4"	18.033823
"342964"	291.6156495	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+H+NH4"	19.041099
"736480"	432.6631995	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+H+NH4"	19.041099
"1490299"	150.5680995	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H+NH4"	19.041099
"405333"	587.179418	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+Na"	22.989218
"760861"	869.274518	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+Na"	22.989218
"1611146"	305.084318	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Na"	22.989218
"321183"	294.093347	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+H+Na"	23.996494
"720176"	435.140897	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+H+Na"	23.996494
"1472901"	153.045797	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H+Na"	23.996494
"1061773"	102.36629	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2H+Na"	25.00377
"1261264"	315.128586	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+CH3OH+H"	33.033486
"385305"	603.153358	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+K"	38.963158
"746300"	885.248458	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+K"	38.963158
"1543978"	321.058258	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+K"	38.963158
"304433"	302.080317	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+H+K"	39.970434
"697949"	443.127867	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+H+K"	39.970434
"1448487"	161.032767	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H+K"	39.970434
"238183"	606.224026	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+ACN+H"	42.033826
"1215265"	324.128926	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+ACN+H"	42.033826
"1196963"	162.568101	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+ACN+2H"	43.041102
"190927"	609.16136	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+2Na-H"	44.97116
"628786"	891.25646	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+2Na-H"	44.97116
"1132171"	327.06626	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2Na-H"	44.97116
"174368"	305.084318	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+2Na"	45.978436
"613154"	446.131868	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+2Na"	45.978436
"1120351"	164.036768	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2Na"	45.978436
"1398846"	109.693604	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H+2Na"	46.985712
"1430191"	329.107846	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H+HCOOH"	47.012746
"222410"	310.11734	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+3H2O+2H"	56.04448
"1515945"	343.15989	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+IsoProp+H"	61.06479
"412353"	313.071288	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+Na+K"	61.952376
"775533"	454.118838	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+Na+K"	61.952376
"1670769"	172.023738	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Na+K"	61.952376
"255468"	628.205968	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+ACN+Na"	64.015768
"1229999"	346.110868	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+ACN+Na"	64.015768
"1719980"	346.134393	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+NH4+HCOOH"	64.039293
"1189709"	117.020918	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+3Na"	68.967654
"1655227"	351.089788	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Na+HCOOH"	68.994688
"159901"	641.10924	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+2K-H"	76.91904
"599460"	923.20434	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+2K-H"	76.91904
"1090534"	359.01414	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2K-H"	76.91904
"145164"	321.058258	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"2M+2K"	77.926316
"590191"	462.105808	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"3M+2K"	77.926316
"1076891"	180.010708	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2K"	77.926316
"1106824"	361.028692	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2K+H"	78.933592
"1345395"	361.116307	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+DMSO+H"	79.021207
"1013925"	365.155476	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2ACN+H"	83.060376
"1538612"	366.149108	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+IsoProp+Na+H"	84.054008
"1001780"	183.081376	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+2ACN+2H"	84.067652
"1597377"	367.063728	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+K+HCOOH"	84.968628
"1414409"	397.095238	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+H+CF3COOH"	115.000138
"1147251"	203.594651	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+3ACN+2H"	125.094202
"1697776"	414.121785	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+NH4+CF3COOH"	132.026685
"1634398"	419.07718	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+Na+CF3COOH"	136.98208
"1576373"	435.05112	"C01630"	"Xylobiose"	"C10H18O9"	"282.0951"	"M+K+CF3COOH"	152.95602
"815855"	306.1216	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M"	0
"985741"	287.10321	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-H2O-H"	-19.01839
"69610"	203.073790666667	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M-3H"	-3.021828
"514639"	305.114324	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M-3H"	-3.021828
"893535"	101.033257333333	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-3H"	-3.021828
"13203"	305.114324	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M-2H"	-2.014552
"449484"	458.175124	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M-2H"	-2.014552
"821819"	152.053524	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-2H"	-2.014552
"85091"	611.235924	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M-H"	-1.007276
"525745"	917.357524	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M-H"	-1.007276
"904277"	305.114324	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-H"	-1.007276
"58652"	628.262471	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M-2H+NH4"	16.019271
"497849"	934.384071	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M-2H+NH4"	16.019271
"875288"	322.140871	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-2H+NH4"	16.019271
"41001"	633.217866	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M-2H+Na"	20.974666
"480563"	939.339466	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M-2H+Na"	20.974666
"848553"	327.096266	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-2H+Na"	20.974666
"1620241"	327.096266	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Na-2H"	20.974666
"96769"	323.102663	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M-H+Cl"	33.962126
"535232"	476.163463	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M-H+Cl"	33.962126
"927208"	170.041863	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-H+Cl"	33.962126
"267142"	647.212602	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+Cl"	34.969402
"660823"	953.334202	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+Cl"	34.969402
"1273060"	341.091002	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Cl"	34.969402
"15772"	649.191806	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M-2H+K"	36.948606
"455729"	955.313406	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M-2H+K"	36.948606
"832912"	343.070206	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-2H+K"	36.948606
"1561011"	343.070206	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+K-2H"	36.948606
"944886"	351.119794	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-H+HCOOH"	44.998194
"363102"	657.241401	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+HCOOH-H"	44.998201
"348437"	671.257051	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+Hac-H"	59.013851
"1493625"	365.135451	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Hac-H"	59.013851
"959710"	373.101751	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-H+NaCOOH"	66.980151
"114087"	341.091002	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+2Cl"	69.938804
"550406"	494.151802	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+2Cl"	69.938804
"1021634"	188.030202	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2Cl"	69.938804
"1242393"	385.040485	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Br"	78.918885
"1306668"	387.096472	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Cl+HCOOH"	80.974872
"1320518"	409.078429	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Cl+NaCOOH"	102.956829
"917414"	419.107186	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M-H+CF3COOH"	112.985586
"1291934"	455.083864	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Cl+CF3COOH"	148.962264
"1374470"	271.108924	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H-2H2O"	-35.012676
"1387592"	289.1189	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H-H2O"	-17.0027
"283995"	613.250476	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+H"	1.007276
"675967"	919.372076	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+H"	1.007276
"1351911"	307.128876	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H"	1.007276
"126375"	307.128876	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+2H"	2.014552
"566053"	460.189676	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+2H"	2.014552
"1037741"	154.068076	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2H"	2.014552
"205323"	205.088342666667	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+3H"	3.021828
"652421"	307.128876	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+3H"	3.021828
"1178211"	103.047809333333	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+3H"	3.021828
"437101"	630.277023	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+NH4"	18.033823
"799555"	936.398623	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+NH4"	18.033823
"1693333"	324.155423	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+NH4"	18.033823
"344169"	315.6421495	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+H+NH4"	19.041099
"737689"	468.7029495	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+H+NH4"	19.041099
"1490410"	162.5813495	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H+NH4"	19.041099
"405444"	635.232418	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+Na"	22.989218
"768384"	941.354018	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+Na"	22.989218
"1616969"	329.110818	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Na"	22.989218
"324573"	318.119847	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+H+Na"	23.996494
"719559"	471.180647	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+H+Na"	23.996494
"1467545"	165.059047	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H+Na"	23.996494
"1062977"	110.375123333333	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2H+Na"	25.00377
"1262467"	339.155086	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+CH3OH+H"	33.033486
"386509"	651.206358	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+K"	38.963158
"746411"	957.327958	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+K"	38.963158
"1545181"	345.084758	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+K"	38.963158
"305637"	326.106817	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+H+K"	39.970434
"698059"	479.167617	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+H+K"	39.970434
"1452972"	173.046017	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H+K"	39.970434
"243761"	654.277026	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+ACN+H"	42.033826
"1214283"	348.155426	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+ACN+H"	42.033826
"1197071"	174.581351	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+ACN+2H"	43.041102
"190064"	657.21436	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+2Na-H"	44.97116
"634971"	963.33596	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+2Na-H"	44.97116
"1136289"	351.09276	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2Na-H"	44.97116
"173425"	329.110818	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+2Na"	45.978436
"613101"	482.171618	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+2Na"	45.978436
"1115959"	176.050018	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2Na"	45.978436
"1398478"	117.702437333333	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H+2Na"	46.985712
"1430016"	353.134346	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H+HCOOH"	47.012746
"223249"	334.14384	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+3H2O+2H"	56.04448
"1519334"	367.18639	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+IsoProp+H"	61.06479
"415744"	337.097788	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+Na+K"	61.952376
"781112"	490.158588	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+Na+K"	61.952376
"1671974"	184.036988	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Na+K"	61.952376
"258494"	676.258968	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+ACN+Na"	64.015768
"1231202"	370.137368	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+ACN+Na"	64.015768
"1720090"	370.160893	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+NH4+HCOOH"	64.039293
"1189819"	125.029751333333	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+3Na"	68.967654
"1661898"	375.116288	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Na+HCOOH"	68.994688
"164385"	689.16224	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+2K-H"	76.91904
"599570"	995.28384	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+2K-H"	76.91904
"1090643"	383.04064	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2K-H"	76.91904
"146367"	345.084758	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"2M+2K"	77.926316
"588114"	498.145558	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"3M+2K"	77.926316
"1077001"	192.023958	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2K"	77.926316
"1106935"	385.055192	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2K+H"	78.933592
"1344412"	385.142807	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+DMSO+H"	79.021207
"1015130"	389.181976	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2ACN+H"	83.060376
"1532161"	390.175608	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+IsoProp+Na+H"	84.054008
"997516"	195.094626	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+2ACN+2H"	84.067652
"1595300"	391.090228	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+K+HCOOH"	84.968628
"1415494"	421.121738	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+H+CF3COOH"	115.000138
"1148700"	215.607901	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+3ACN+2H"	125.094202
"1698249"	438.148285	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+NH4+CF3COOH"	132.026685
"1634995"	443.10368	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+Na+CF3COOH"	136.98208
"1576483"	459.07762	"C01632"	"N-Carbobenzoxyglycylproline;Z-Gly-Pro;Z-Gly-Pro-OH"	"C15H18N2O5"	"306.1216"	"M+K+CF3COOH"	152.95602
"806850"	158.1671	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M"	0
"987674"	139.14871	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-H2O-H"	-19.01839
"75918"	104.437457333333	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M-3H"	-3.021828
"515844"	157.159824	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M-3H"	-3.021828
"894617"	51.7150906666667	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-3H"	-3.021828
"12220"	157.159824	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M-2H"	-2.014552
"449594"	236.243374	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M-2H"	-2.014552
"825209"	78.076274	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-2H"	-2.014552
"85201"	315.326924	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M-H"	-1.007276
"525855"	473.494024	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M-H"	-1.007276
"903658"	157.159824	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-H"	-1.007276
"58034"	332.353471	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M-2H+NH4"	16.019271
"496501"	490.520571	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M-2H+NH4"	16.019271
"876491"	174.186371	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-2H+NH4"	16.019271
"43297"	337.308866	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M-2H+Na"	20.974666
"483954"	495.475966	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M-2H+Na"	20.974666
"849723"	179.141766	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-2H+Na"	20.974666
"1620351"	179.141766	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Na-2H"	20.974666
"94430"	175.148163	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M-H+Cl"	33.962126
"536800"	254.231713	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M-H+Cl"	33.962126
"927440"	96.064613	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-H+Cl"	33.962126
"267123"	351.303602	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+Cl"	34.969402
"659982"	509.470702	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+Cl"	34.969402
"1273454"	193.136502	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Cl"	34.969402
"16503"	353.282806	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M-2H+K"	36.948606
"457037"	511.449906	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M-2H+K"	36.948606
"833296"	195.115706	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-2H+K"	36.948606
"1557476"	195.115706	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+K-2H"	36.948606
"944264"	203.165294	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-H+HCOOH"	44.998194
"364666"	361.332401	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+HCOOH-H"	44.998201
"347822"	375.348051	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+Hac-H"	59.013851
"1495926"	217.180951	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Hac-H"	59.013851
"967479"	225.147251	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-H+NaCOOH"	66.980151
"116750"	193.136502	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+2Cl"	69.938804
"550839"	272.220052	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+2Cl"	69.938804
"1022194"	114.052952	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2Cl"	69.938804
"1250526"	237.085985	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Br"	78.918885
"1306777"	239.141972	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Cl+HCOOH"	80.974872
"1325368"	261.123929	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Cl+NaCOOH"	102.956829
"916431"	271.152686	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M-H+CF3COOH"	112.985586
"1292043"	307.129364	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Cl+CF3COOH"	148.962264
"1374580"	123.154424	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H-2H2O"	-35.012676
"1393170"	141.1644	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H-H2O"	-17.0027
"284107"	317.341476	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+H"	1.007276
"676890"	475.508576	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+H"	1.007276
"1352267"	159.174376	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H"	1.007276
"125905"	159.174376	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+2H"	2.014552
"566043"	238.257926	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+2H"	2.014552
"1037404"	80.090826	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2H"	2.014552
"204945"	106.452009333333	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+3H"	3.021828
"653625"	159.174376	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+3H"	3.021828
"1176978"	53.7296426666667	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+3H"	3.021828
"437211"	334.368023	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+NH4"	18.033823
"799300"	492.535123	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+NH4"	18.033823
"1694539"	176.200923	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+NH4"	18.033823
"344279"	167.6876495	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+H+NH4"	19.041099
"738286"	246.7711995	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+H+NH4"	19.041099
"1490520"	88.6040995	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H+NH4"	19.041099
"407016"	339.323418	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+Na"	22.989218
"769471"	497.490518	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+Na"	22.989218
"1616715"	181.156318	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Na"	22.989218
"325777"	170.165347	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+H+Na"	23.996494
"718575"	249.248897	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+H+Na"	23.996494
"1469843"	91.081797	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H+Na"	23.996494
"1058713"	61.0569566666667	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2H+Na"	25.00377
"1260394"	191.200586	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+CH3OH+H"	33.033486
"385526"	355.297358	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+K"	38.963158
"745428"	513.464458	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+K"	38.963158
"1547476"	197.130258	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+K"	38.963158
"304654"	178.152317	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+H+K"	39.970434
"697076"	257.235867	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+H+K"	39.970434
"1457456"	99.068767	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H+K"	39.970434
"246059"	358.368026	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+ACN+H"	42.033826
"1215486"	200.200926	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+ACN+H"	42.033826
"1200463"	100.604101	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+ACN+2H"	43.041102
"192239"	361.30536	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+2Na-H"	44.97116
"637268"	519.47246	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+2Na-H"	44.97116
"1139679"	203.13826	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2Na-H"	44.97116
"177503"	181.156318	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+2Na"	45.978436
"614998"	260.239868	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+2Na"	45.978436
"1118382"	102.072768	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2Na"	45.978436
"1399962"	68.3842706666667	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H+2Na"	46.985712
"1431835"	205.179846	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H+HCOOH"	47.012746
"220564"	186.18934	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+3H2O+2H"	56.04448
"1518351"	219.23189	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+IsoProp+H"	61.06479
"412938"	189.143288	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+Na+K"	61.952376
"780129"	268.226838	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+Na+K"	61.952376
"1672084"	110.059738	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Na+K"	61.952376
"254230"	380.349968	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+ACN+Na"	64.015768
"1228032"	222.182868	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+ACN+Na"	64.015768
"1719106"	222.206393	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+NH4+HCOOH"	64.039293
"1186649"	75.7115846666667	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+3Na"	68.967654
"1658728"	227.161788	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Na+HCOOH"	68.994688
"166683"	393.25324	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+2K-H"	76.91904
"604055"	551.42034	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+2K-H"	76.91904
"1091847"	235.08614	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2K-H"	76.91904
"146837"	197.130258	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"2M+2K"	77.926316
"583850"	276.213808	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"3M+2K"	77.926316
"1077111"	118.046708	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2K"	77.926316
"1103764"	237.100692	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2K+H"	78.933592
"1345615"	237.188307	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+DMSO+H"	79.021207
"1013052"	241.227476	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2ACN+H"	83.060376
"1534458"	242.221108	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+IsoProp+Na+H"	84.054008
"998718"	121.117376	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+2ACN+2H"	84.067652
"1594316"	243.135728	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+K+HCOOH"	84.968628
"1415604"	273.167238	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+H+CF3COOH"	115.000138
"1147715"	141.630651	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+3ACN+2H"	125.094202
"1698362"	290.193785	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+NH4+CF3COOH"	132.026685
"1642036"	295.14918	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+Na+CF3COOH"	136.98208
"1576593"	311.12312	"C01633"	"1-Decanol;n-Decanol;Decyl alcohol"	"C10H22O"	"158.1671"	"M+K+CF3COOH"	152.95602
"810258"	346.0791	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M"	0
"987807"	327.06071	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-H2O-H"	-19.01839
"74227"	229.712124	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M-3H"	-3.021828
"515974"	345.071824	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M-3H"	-3.021828
"885027"	114.352424	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-3H"	-3.021828
"7978"	345.071824	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M-2H"	-2.014552
"450818"	518.111374	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M-2H"	-2.014552
"825341"	172.032274	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-2H"	-2.014552
"85332"	691.150924	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M-H"	-1.007276
"525986"	1037.230024	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M-H"	-1.007276
"901602"	345.071824	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-H"	-1.007276
"52695"	708.177471	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M-2H+NH4"	16.019271
"497726"	1054.256571	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M-2H+NH4"	16.019271
"874069"	362.098371	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-2H+NH4"	16.019271
"43431"	713.132866	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M-2H+Na"	20.974666
"480805"	1059.211966	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M-2H+Na"	20.974666
"863108"	367.053766	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-2H+Na"	20.974666
"1633004"	367.053766	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Na-2H"	20.974666
"106864"	363.060163	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M-H+Cl"	33.962126
"546425"	536.099713	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M-H+Cl"	33.962126
"934472"	190.020613	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-H+Cl"	33.962126
"274123"	727.127602	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+Cl"	34.969402
"665449"	1073.206702	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+Cl"	34.969402
"1284408"	381.048502	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Cl"	34.969402
"21500"	729.106806	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M-2H+K"	36.948606
"458875"	1075.185906	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M-2H+K"	36.948606
"835584"	383.027706	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-2H+K"	36.948606
"1560166"	383.027706	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+K-2H"	36.948606
"944768"	391.077294	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-H+HCOOH"	44.998194
"372828"	737.156401	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+HCOOH-H"	44.998201
"360368"	751.172051	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+Hac-H"	59.013851
"1507745"	405.092951	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Hac-H"	59.013851
"974076"	413.059251	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-H+NaCOOH"	66.980151
"125249"	381.048502	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+2Cl"	69.938804
"565540"	554.088052	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+2Cl"	69.938804
"1036930"	208.008952	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2Cl"	69.938804
"1256507"	424.997985	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Br"	78.918885
"1319442"	427.053972	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Cl+HCOOH"	80.974872
"1334625"	449.035929	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Cl+NaCOOH"	102.956829
"924223"	459.064686	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M-H+CF3COOH"	112.985586
"1301295"	495.041364	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Cl+CF3COOH"	148.962264
"1380186"	311.066424	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H-2H2O"	-35.012676
"1396961"	329.0764	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H-H2O"	-17.0027
"297376"	693.165476	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+H"	1.007276
"690770"	1039.244576	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+H"	1.007276
"1362865"	347.086376	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H"	1.007276
"135754"	347.086376	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+2H"	2.014552
"575314"	520.125926	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+2H"	2.014552
"1046663"	174.046826	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2H"	2.014552
"210918"	231.726676	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+3H"	3.021828
"651570"	347.086376	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+3H"	3.021828
"1174069"	116.366976	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+3H"	3.021828
"432968"	710.192023	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+NH4"	18.033823
"795424"	1056.271123	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+NH4"	18.033823
"1693214"	364.112923	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+NH4"	18.033823
"338941"	355.5996495	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+H+NH4"	19.041099
"725892"	528.6391995	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+H+NH4"	19.041099
"1481536"	182.5600995	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H+NH4"	19.041099
"396205"	715.147418	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+Na"	22.989218
"759023"	1061.226518	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+Na"	22.989218
"1607123"	369.068318	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Na"	22.989218
"323366"	358.077347	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+H+Na"	23.996494
"710685"	531.116897	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+H+Na"	23.996494
"1465961"	185.037797	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H+Na"	23.996494
"1055927"	123.69429	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2H+Na"	25.00377
"1261615"	379.112586	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+CH3OH+H"	33.033486
"382379"	731.121358	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+K"	38.963158
"741186"	1077.200458	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+K"	38.963158
"1542146"	385.042258	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+K"	38.963158
"310258"	366.064317	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+H+K"	39.970434
"697212"	539.103867	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+H+K"	39.970434
"1450301"	193.024767	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H+K"	39.970434
"242913"	734.192026	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+ACN+H"	42.033826
"1219997"	388.112926	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+ACN+H"	42.033826
"1202787"	194.560101	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+ACN+2H"	43.041102
"197848"	737.12936	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+2Na-H"	44.97116
"639591"	1083.20846	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+2Na-H"	44.97116
"1136539"	391.05026	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2Na-H"	44.97116
"182017"	369.068318	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+2Na"	45.978436
"614652"	542.107868	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+2Na"	45.978436
"1116329"	196.028768	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2Na"	45.978436
"1399860"	131.021604	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H+2Na"	46.985712
"1430510"	393.091846	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H+HCOOH"	47.012746
"220207"	374.10134	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+3H2O+2H"	56.04448
"1508526"	407.14389	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+IsoProp+H"	61.06479
"418171"	377.055288	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+Na+K"	61.952376
"782088"	550.094838	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+Na+K"	61.952376
"1674407"	204.015738	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Na+K"	61.952376
"257645"	756.173968	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+ACN+Na"	64.015768
"1234729"	410.094868	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+ACN+Na"	64.015768
"1714871"	410.118393	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+NH4+HCOOH"	64.039293
"1184601"	138.348918	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+3Na"	68.967654
"1655587"	415.073788	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Na+HCOOH"	68.994688
"159532"	769.07724	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+2K-H"	76.91904
"600186"	1115.15634	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+2K-H"	76.91904
"1085426"	422.99814	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2K-H"	76.91904
"145160"	385.042258	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"2M+2K"	77.926316
"582168"	558.081808	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"3M+2K"	77.926316
"1069596"	212.002708	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2K"	77.926316
"1101348"	425.012692	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2K+H"	78.933592
"1338096"	425.100307	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+DMSO+H"	79.021207
"1006262"	429.139476	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2ACN+H"	83.060376
"1532406"	430.133108	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+IsoProp+Na+H"	84.054008
"995576"	215.073376	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+2ACN+2H"	84.067652
"1591171"	431.047728	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+K+HCOOH"	84.968628
"1417562"	461.079238	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+H+CF3COOH"	115.000138
"1150767"	235.586651	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+3ACN+2H"	125.094202
"1700318"	478.105785	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+NH4+CF3COOH"	132.026685
"1639979"	483.06118	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+Na+CF3COOH"	136.98208
"1572713"	499.03512	"C01655"	"2-AminoAMP"	"C10H15N6O6P"	"346.0791"	"M+K+CF3COOH"	152.95602
"803807"	251.1158	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M"	0
"988282"	232.09741	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-H2O-H"	-19.01839
"76525"	166.403257333333	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M-3H"	-3.021828
"508430"	250.108524	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M-3H"	-3.021828
"887326"	82.6979906666667	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-3H"	-3.021828
"6995"	250.108524	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M-2H"	-2.014552
"447649"	375.666424	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M-2H"	-2.014552
"828733"	124.550624	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-2H"	-2.014552
"85445"	501.224324	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M-H"	-1.007276
"529378"	752.340124	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M-H"	-1.007276
"906088"	250.108524	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-H"	-1.007276
"56088"	518.250871	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M-2H+NH4"	16.019271
"496741"	769.366671	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M-2H+NH4"	16.019271
"878435"	267.135071	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-2H+NH4"	16.019271
"44276"	523.206266	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M-2H+Na"	20.974666
"484926"	774.322066	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M-2H+Na"	20.974666
"859812"	272.090466	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-2H+Na"	20.974666
"1630439"	272.090466	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Na-2H"	20.974666
"104785"	268.096863	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M-H+Cl"	33.962126
"543253"	393.654763	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M-H+Cl"	33.962126
"932393"	142.538963	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-H+Cl"	33.962126
"270948"	537.201002	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+Cl"	34.969402
"662277"	788.316802	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+Cl"	34.969402
"1274681"	286.085202	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Cl"	34.969402
"22702"	539.180206	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M-2H+K"	36.948606
"456919"	790.296006	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M-2H+K"	36.948606
"837882"	288.064406	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-2H+K"	36.948606
"1561368"	288.064406	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+K-2H"	36.948606
"948161"	296.113994	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-H+HCOOH"	44.998194
"372940"	547.229801	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+HCOOH-H"	44.998201
"360719"	561.245451	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+Hac-H"	59.013851
"1507730"	310.129651	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Hac-H"	59.013851
"972717"	318.095951	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-H+NaCOOH"	66.980151
"125158"	286.085202	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+2Cl"	69.938804
"565081"	411.643102	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+2Cl"	69.938804
"1035214"	160.527302	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2Cl"	69.938804
"1254425"	330.034685	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Br"	78.918885
"1319750"	332.090672	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Cl+HCOOH"	80.974872
"1332182"	354.072629	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Cl+NaCOOH"	102.956829
"925792"	364.101386	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M-H+CF3COOH"	112.985586
"1302865"	400.078064	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Cl+CF3COOH"	148.962264
"1381392"	216.103124	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H-2H2O"	-35.012676
"1394152"	234.1131	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H-H2O"	-17.0027
"294206"	503.238876	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+H"	1.007276
"682983"	754.354676	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+H"	1.007276
"1358238"	252.123076	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H"	1.007276
"133313"	252.123076	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+2H"	2.014552
"573966"	377.680976	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+2H"	2.014552
"1046411"	126.565176	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2H"	2.014552
"214676"	168.417809333333	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+3H"	3.021828
"654965"	252.123076	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+3H"	3.021828
"1174181"	84.7125426666667	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+3H"	3.021828
"433080"	520.265423	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+NH4"	18.033823
"795168"	771.381223	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+NH4"	18.033823
"1691499"	269.149623	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+NH4"	18.033823
"339051"	260.6363495	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+H+NH4"	19.041099
"727828"	386.1942495	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+H+NH4"	19.041099
"1480551"	135.0784495	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H+NH4"	19.041099
"395954"	525.220818	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+Na"	22.989218
"764239"	776.336618	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+Na"	22.989218
"1614893"	274.105018	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Na"	22.989218
"321655"	263.114047	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+H+Na"	23.996494
"710795"	388.671947	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+H+Na"	23.996494
"1466800"	137.556147	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H+Na"	23.996494
"1056039"	92.0398566666667	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2H+Na"	25.00377
"1259539"	284.149286	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+CH3OH+H"	33.033486
"386864"	541.194758	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+K"	38.963158
"741299"	792.310558	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+K"	38.963158
"1548819"	290.078958	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+K"	38.963158
"302715"	271.101017	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+H+K"	39.970434
"695135"	396.658917	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+H+K"	39.970434
"1450048"	145.543117	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H+K"	39.970434
"246306"	544.265426	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+ACN+H"	42.033826
"1220107"	293.149626	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+ACN+H"	42.033826
"1205084"	147.078451	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+ACN+2H"	43.041102
"201236"	547.20276	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+2Na-H"	44.97116
"638610"	798.31856	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+2Na-H"	44.97116
"1139930"	296.08696	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2Na-H"	44.97116
"176659"	274.105018	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+2Na"	45.978436
"615128"	399.662918	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+2Na"	45.978436
"1120821"	148.547118	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2Na"	45.978436
"1399118"	99.3671706666667	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H+2Na"	46.985712
"1430546"	298.128546	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H+HCOOH"	47.012746
"228345"	279.13804	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+3H2O+2H"	56.04448
"1517504"	312.18059	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+IsoProp+H"	61.06479
"416097"	282.091988	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+Na+K"	61.952376
"783293"	407.649888	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+Na+K"	61.952376
"1677435"	156.534088	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Na+K"	61.952376
"263590"	566.247368	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+ACN+Na"	64.015768
"1234839"	315.131568	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+ACN+Na"	64.015768
"1719356"	315.155093	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+NH4+HCOOH"	64.039293
"1183618"	106.694484666667	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+3Na"	68.967654
"1658980"	320.110488	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Na+HCOOH"	68.994688
"158550"	579.15064	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+2K-H"	76.91904
"598474"	830.26644	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+2K-H"	76.91904
"1085900"	328.03484	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2K-H"	76.91904
"145636"	290.078958	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"2M+2K"	77.926316
"585195"	415.636858	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"3M+2K"	77.926316
"1076270"	164.521058	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2K"	77.926316
"1101094"	330.049392	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2K+H"	78.933592
"1341490"	330.137007	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+DMSO+H"	79.021207
"1008925"	334.176176	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2ACN+H"	83.060376
"1530332"	335.169808	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+IsoProp+Na+H"	84.054008
"994594"	167.591726	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+2ACN+2H"	84.067652
"1592376"	336.084428	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+K+HCOOH"	84.968628
"1418037"	366.115938	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+H+CF3COOH"	115.000138
"1149419"	188.105001	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+3ACN+2H"	125.094202
"1700063"	383.142485	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+NH4+CF3COOH"	132.026685
"1641182"	388.09788	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+Na+CF3COOH"	136.98208
"1572094"	404.07182	"C01657"	"Ac-Tyr-OEt;N-Acetyl-L-tyrosine ethyl ester;Ethyl N-alpha-acetyl-tyrosinate"	"C13H17NO4"	"251.1158"	"M+K+CF3COOH"	152.95602
"803918"	71.0371	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M"	0
"989896"	52.01871	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-H2O-H"	-19.01839
"66792"	46.3507906666667	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M-3H"	-3.021828
"509630"	70.029824	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M-3H"	-3.021828
"886339"	22.6717573333333	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-3H"	-3.021828
"6010"	70.029824	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M-2H"	-2.014552
"446664"	105.548374	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M-2H"	-2.014552
"826656"	34.511274	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-2H"	-2.014552
"88834"	141.066924	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M-H"	-1.007276
"525114"	212.104024	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M-H"	-1.007276
"905105"	70.029824	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-H"	-1.007276
"55106"	158.093471	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M-2H+NH4"	16.019271
"500138"	229.130571	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M-2H+NH4"	16.019271
"876843"	87.056371	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-2H+NH4"	16.019271
"43652"	163.048866	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M-2H+Na"	20.974666
"484307"	234.085966	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M-2H+Na"	20.974666
"859922"	92.011766	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-2H+Na"	20.974666
"1631642"	92.011766	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Na-2H"	20.974666
"105989"	88.018163	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M-H+Cl"	33.962126
"544456"	123.536713	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M-H+Cl"	33.962126
"935782"	52.499613	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-H+Cl"	33.962126
"269598"	177.043602	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+Cl"	34.969402
"662508"	248.080702	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+Cl"	34.969402
"1275155"	106.006502	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Cl"	34.969402
"24997"	179.022806	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M-2H+K"	36.948606
"463468"	250.059906	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M-2H+K"	36.948606
"835803"	107.985706	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-2H+K"	36.948606
"1557101"	107.985706	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+K-2H"	36.948606
"949364"	116.035294	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-H+HCOOH"	44.998194
"374143"	187.072401	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+HCOOH-H"	44.998201
"360587"	201.088051	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+Hac-H"	59.013851
"1506868"	130.050951	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Hac-H"	59.013851
"973563"	138.017251	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-H+NaCOOH"	66.980151
"124781"	106.006502	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+2Cl"	69.938804
"564100"	141.525052	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+2Cl"	69.938804
"1034598"	70.487952	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2Cl"	69.938804
"1254535"	149.955985	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Br"	78.918885
"1318077"	152.011972	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Cl+HCOOH"	80.974872
"1333752"	173.993929	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Cl+NaCOOH"	102.956829
"925540"	184.022686	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M-H+CF3COOH"	112.985586
"1302977"	219.999364	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Cl+CF3COOH"	148.962264
"1377129"	36.024424	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H-2H2O"	-35.012676
"1397546"	54.0344	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H-H2O"	-17.0027
"295774"	143.081476	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+H"	1.007276
"682364"	214.118576	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+H"	1.007276
"1358712"	72.044376	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H"	1.007276
"132694"	72.044376	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+2H"	2.014552
"568971"	107.562926	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+2H"	2.014552
"1047613"	36.525826	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2H"	2.014552
"211140"	48.3653426666667	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+3H"	3.021828
"651792"	72.044376	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+3H"	3.021828
"1171011"	24.6863093333333	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+3H"	3.021828
"433190"	160.108023	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+NH4"	18.033823
"795278"	231.145123	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+NH4"	18.033823
"1692704"	89.070923	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+NH4"	18.033823
"339889"	80.5576495	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+H+NH4"	19.041099
"726845"	116.0761995	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+H+NH4"	19.041099
"1477744"	45.0390995	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H+NH4"	19.041099
"396064"	165.063418	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+Na"	22.989218
"761433"	236.100518	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+Na"	22.989218
"1616703"	94.026318	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Na"	22.989218
"328079"	83.035347	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+H+Na"	23.996494
"709810"	118.553897	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+H+Na"	23.996494
"1463628"	47.516797	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H+Na"	23.996494
"1059064"	32.0136233333333	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2H+Na"	25.00377
"1264022"	104.070586	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+CH3OH+H"	33.033486
"386974"	181.037358	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+K"	38.963158
"741409"	252.074458	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+K"	38.963158
"1548929"	110.000258	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+K"	38.963158
"306104"	91.022317	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+H+K"	39.970434
"699620"	126.540867	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+H+K"	39.970434
"1454531"	55.503767	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H+K"	39.970434
"246416"	184.108026	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+ACN+H"	42.033826
"1221310"	113.070926	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+ACN+H"	42.033826
"1206290"	57.039101	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+ACN+2H"	43.041102
"201348"	187.04536	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+2Na-H"	44.97116
"637627"	258.08246	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+2Na-H"	44.97116
"1135664"	116.00826	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2Na-H"	44.97116
"174094"	94.026318	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+2Na"	45.978436
"615238"	129.544868	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+2Na"	45.978436
"1120931"	58.507768	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2Na"	45.978436
"1400200"	39.3409373333333	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H+2Na"	46.985712
"1431104"	118.049846	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H+HCOOH"	47.012746
"228455"	99.05934	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+3H2O+2H"	56.04448
"1517614"	132.10189	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+IsoProp+H"	61.06479
"419487"	102.013288	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+Na+K"	61.952376
"778297"	137.531838	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+Na+K"	61.952376
"1675725"	66.494738	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Na+K"	61.952376
"264428"	206.089968	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+ACN+Na"	64.015768
"1234954"	135.052868	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+ACN+Na"	64.015768
"1721654"	135.076393	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+NH4+HCOOH"	64.039293
"1182998"	46.6682513333333	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+3Na"	68.967654
"1654715"	140.031788	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Na+HCOOH"	68.994688
"159389"	218.99324	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+2K-H"	76.91904
"599313"	290.03034	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+2K-H"	76.91904
"1088931"	147.95614	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2K-H"	76.91904
"146110"	110.000258	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"2M+2K"	77.926316
"589681"	145.518808	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"3M+2K"	77.926316
"1074194"	74.481708	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2K"	77.926316
"1101325"	149.970692	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2K+H"	78.933592
"1339414"	150.058307	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+DMSO+H"	79.021207
"1011225"	154.097476	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2ACN+H"	83.060376
"1531535"	155.091108	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+IsoProp+Na+H"	84.054008
"993608"	77.552376	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+2ACN+2H"	84.067652
"1591391"	156.005728	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+K+HCOOH"	84.968628
"1419240"	186.037238	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+H+CF3COOH"	115.000138
"1149893"	98.065651	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+3ACN+2H"	125.094202
"1702361"	203.063785	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+NH4+CF3COOH"	132.026685
"1640199"	208.01918	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+Na+CF3COOH"	136.98208
"1580226"	223.99312	"C01659"	"Acrylamide;2-Propenamide"	"C3H5NO"	"71.0371"	"M+K+CF3COOH"	152.95602
"804029"	543.1741	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M"	0
"988138"	524.15571	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-H2O-H"	-19.01839
"67993"	361.108790666667	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M-3H"	-3.021828
"508649"	542.166824	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M-3H"	-3.021828
"883170"	180.050757333333	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-3H"	-3.021828
"6120"	542.166824	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M-2H"	-2.014552
"452240"	813.753874	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M-2H"	-2.014552
"825672"	270.579774	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-2H"	-2.014552
"92102"	1085.340924	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M-H"	-1.007276
"525224"	1628.515024	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M-H"	-1.007276
"906308"	542.166824	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-H"	-1.007276
"56309"	1102.367471	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M-2H+NH4"	16.019271
"500247"	1645.541571	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M-2H+NH4"	16.019271
"875860"	559.193371	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-2H+NH4"	16.019271
"42669"	1107.322866	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M-2H+Na"	20.974666
"483324"	1650.496966	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M-2H+Na"	20.974666
"860032"	564.148766	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-2H+Na"	20.974666
"1631752"	564.148766	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Na-2H"	20.974666
"107193"	560.155163	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M-H+Cl"	33.962126
"546752"	831.742213	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M-H+Cl"	33.962126
"939173"	288.568113	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-H+Cl"	33.962126
"274449"	1121.317602	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+Cl"	34.969402
"665777"	1664.491702	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+Cl"	34.969402
"1278181"	578.143502	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Cl"	34.969402
"24014"	1123.296806	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M-2H+K"	36.948606
"465764"	1666.470906	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M-2H+K"	36.948606
"834939"	580.122706	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-2H+K"	36.948606
"1559399"	580.122706	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+K-2H"	36.948606
"946191"	588.172294	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-H+HCOOH"	44.998194
"367690"	1131.346401	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+HCOOH-H"	44.998201
"360696"	1145.362051	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+Hac-H"	59.013851
"1508199"	602.187951	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Hac-H"	59.013851
"973069"	610.154251	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-H+NaCOOH"	66.980151
"125135"	578.143502	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+2Cl"	69.938804
"564451"	849.730552	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+2Cl"	69.938804
"1031792"	306.556452	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2Cl"	69.938804
"1256925"	622.092985	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Br"	78.918885
"1319289"	624.148972	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Cl+HCOOH"	80.974872
"1335486"	646.130929	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Cl+NaCOOH"	102.956829
"926947"	656.159686	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M-H+CF3COOH"	112.985586
"1303331"	692.136364	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Cl+CF3COOH"	148.962264
"1382344"	508.161424	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H-2H2O"	-35.012676
"1395832"	526.1714	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H-H2O"	-17.0027
"297706"	1087.355476	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+H"	1.007276
"685754"	1630.529576	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+H"	1.007276
"1358822"	544.181376	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H"	1.007276
"130618"	544.181376	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+2H"	2.014552
"576738"	815.768426	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+2H"	2.014552
"1048818"	272.594326	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2H"	2.014552
"217085"	363.123342666667	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+3H"	3.021828
"656277"	544.181376	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+3H"	3.021828
"1174401"	182.065309333333	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+3H"	3.021828
"435488"	1104.382023	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+NH4"	18.033823
"796482"	1647.556123	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+NH4"	18.033823
"1691721"	561.207923	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+NH4"	18.033823
"339999"	552.6946495	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+H+NH4"	19.041099
"730235"	824.2816995	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+H+NH4"	19.041099
"1479679"	281.1075995	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H+NH4"	19.041099
"398361"	1109.337418	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+Na"	22.989218
"764824"	1652.511518	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+Na"	22.989218
"1617906"	566.163318	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Na"	22.989218
"329756"	555.172347	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+H+Na"	23.996494
"717577"	826.759397	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+H+Na"	23.996494
"1475772"	283.585297	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H+Na"	23.996494
"1062458"	189.392623333333	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2H+Na"	25.00377
"1267417"	576.207586	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+CH3OH+H"	33.033486
"384898"	1125.311358	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+K"	38.963158
"743706"	1668.485458	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+K"	38.963158
"1550129"	582.137258	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+K"	38.963158
"307309"	563.159317	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+H+K"	39.970434
"699729"	834.746367	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+H+K"	39.970434
"1457923"	291.572267	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H+K"	39.970434
"249441"	1128.382026	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+ACN+H"	42.033826
"1225147"	585.207926	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+ACN+H"	42.033826
"1206400"	293.107601	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+ACN+2H"	43.041102
"200362"	1131.31936	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+2Na-H"	44.97116
"641748"	1674.49346	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+2Na-H"	44.97116
"1134684"	588.14526	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2Na-H"	44.97116
"174813"	566.163318	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+2Na"	45.978436
"617533"	837.750368	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+2Na"	45.978436
"1121041"	294.576268	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2Na"	45.978436
"1404564"	196.719937333333	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H+2Na"	46.985712
"1433402"	590.186846	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H+HCOOH"	47.012746
"227472"	571.19634	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+3H2O+2H"	56.04448
"1521370"	604.23889	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+IsoProp+H"	61.06479
"421420"	574.150288	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+Na+K"	61.952376
"782418"	845.737338	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+Na+K"	61.952376
"1677293"	302.563238	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Na+K"	61.952376
"263811"	1150.363968	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+ACN+Na"	64.015768
"1229596"	607.189868	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+ACN+Na"	64.015768
"1718483"	607.213393	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+NH4+HCOOH"	64.039293
"1181650"	204.047251333333	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+3Na"	68.967654
"1657012"	612.168788	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Na+HCOOH"	68.994688
"162780"	1163.26724	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+2K-H"	76.91904
"598695"	1706.44134	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+2K-H"	76.91904
"1087218"	620.09314	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2K-H"	76.91904
"144763"	582.137258	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"2M+2K"	77.926316
"582865"	853.724308	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"3M+2K"	77.926316
"1076491"	310.550208	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2K"	77.926316
"1103137"	622.107692	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2K+H"	78.933592
"1341711"	622.195307	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+DMSO+H"	79.021207
"1012426"	626.234476	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2ACN+H"	83.060376
"1529457"	627.228108	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+IsoProp+Na+H"	84.054008
"993718"	313.620876	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+2ACN+2H"	84.067652
"1591497"	628.142728	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+K+HCOOH"	84.968628
"1418256"	658.174238	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+H+CF3COOH"	115.000138
"1150732"	334.134151	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+3ACN+2H"	125.094202
"1699191"	675.200785	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+NH4+CF3COOH"	132.026685
"1640309"	680.15618	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+Na+CF3COOH"	136.98208
"1580336"	696.13012	"C01661"	"Doxorubicin;Adriamycin"	"C27H29NO11"	"543.1741"	"M+K+CF3COOH"	152.95602
"805235"	306.1692	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M"	0
"980958"	287.15081	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-H2O-H"	-19.01839
"66281"	203.105524	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M-3H"	-3.021828
"514225"	305.161924	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M-3H"	-3.021828
"882188"	101.049124	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-3H"	-3.021828
"6230"	305.161924	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M-2H"	-2.014552
"446884"	458.246524	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M-2H"	-2.014552
"822500"	152.077324	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-2H"	-2.014552
"92331"	611.331124	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M-H"	-1.007276
"527519"	917.500324	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M-H"	-1.007276
"902041"	305.161924	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-H"	-1.007276
"54232"	628.357671	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M-2H+NH4"	16.019271
"498167"	934.526871	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M-2H+NH4"	16.019271
"878764"	322.188471	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-2H+NH4"	16.019271
"46426"	633.313066	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M-2H+Na"	20.974666
"484528"	939.482266	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M-2H+Na"	20.974666
"861239"	327.143866	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-2H+Na"	20.974666
"1632968"	327.143866	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Na-2H"	20.974666
"107672"	323.150263	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M-H+Cl"	33.962126
"546866"	476.234863	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M-H+Cl"	33.962126
"940383"	170.065663	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-H+Cl"	33.962126
"281120"	647.307802	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+Cl"	34.969402
"669168"	953.477002	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+Cl"	34.969402
"1279382"	341.138602	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Cl"	34.969402
"20846"	649.287006	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M-2H+K"	36.948606
"463690"	955.456206	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M-2H+K"	36.948606
"839305"	343.117806	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-2H+K"	36.948606
"1559874"	343.117806	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+K-2H"	36.948606
"949584"	351.167394	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-H+HCOOH"	44.998194
"376193"	657.336601	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+HCOOH-H"	44.998201
"360446"	671.352251	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+Hac-H"	59.013851
"1507093"	365.183051	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Hac-H"	59.013851
"972083"	373.149351	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-H+NaCOOH"	66.980151
"124515"	341.138602	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+2Cl"	69.938804
"560916"	494.223202	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+2Cl"	69.938804
"1032266"	188.054002	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2Cl"	69.938804
"1254759"	385.088085	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Br"	78.918885
"1318665"	387.144072	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Cl+HCOOH"	80.974872
"1333973"	409.126029	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Cl+NaCOOH"	102.956829
"926855"	419.154786	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M-H+CF3COOH"	112.985586
"1301379"	455.131464	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Cl+CF3COOH"	148.962264
"1379542"	271.156524	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H-2H2O"	-35.012676
"1392663"	289.1665	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H-H2O"	-17.0027
"294537"	613.345676	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+H"	1.007276
"688050"	919.514876	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+H"	1.007276
"1362212"	307.176476	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H"	1.007276
"136923"	307.176476	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+2H"	2.014552
"578670"	460.261076	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+2H"	2.014552
"1045647"	154.091876	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2H"	2.014552
"217559"	205.120076	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+3H"	3.021828
"654200"	307.176476	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+3H"	3.021828
"1174512"	103.063676	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+3H"	3.021828
"437786"	630.372223	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+NH4"	18.033823
"795500"	936.541423	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+NH4"	18.033823
"1693655"	324.203023	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+NH4"	18.033823
"337922"	315.6897495	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+H+NH4"	19.041099
"734719"	468.7743495	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+H+NH4"	19.041099
"1491822"	162.6051495	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H+NH4"	19.041099
"406491"	635.327618	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+Na"	22.989218
"769883"	941.496818	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+Na"	22.989218
"1614132"	329.158418	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Na"	22.989218
"327452"	318.167447	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+H+Na"	23.996494
"715499"	471.252047	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+H+Na"	23.996494
"1474790"	165.082847	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H+Na"	23.996494
"1059287"	110.39099	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2H+Na"	25.00377
"1268620"	339.202686	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+CH3OH+H"	33.033486
"385008"	651.301558	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+K"	38.963158
"747097"	957.470758	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+K"	38.963158
"1554253"	345.132358	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+K"	38.963158
"314203"	326.154417	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+H+K"	39.970434
"707049"	479.239017	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+H+K"	39.970434
"1461154"	173.069817	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H+K"	39.970434
"249186"	654.372226	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+ACN+H"	42.033826
"1224327"	348.203026	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+ACN+H"	42.033826
"1208943"	174.605151	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+ACN+2H"	43.041102
"193915"	657.30956	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+2Na-H"	44.97116
"631288"	963.47876	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+2Na-H"	44.97116
"1134794"	351.14036	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2Na-H"	44.97116
"184643"	329.158418	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+2Na"	45.978436
"622017"	482.243018	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+2Na"	45.978436
"1129170"	176.073818	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2Na"	45.978436
"1404675"	117.718304	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H+2Na"	46.985712
"1433512"	353.181946	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H+HCOOH"	47.012746
"227582"	334.19144	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+3H2O+2H"	56.04448
"1521844"	367.23399	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+IsoProp+H"	61.06479
"422263"	337.145388	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+Na+K"	61.952376
"783621"	490.229988	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+Na+K"	61.952376
"1677038"	184.060788	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Na+K"	61.952376
"261372"	676.354168	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+ACN+Na"	64.015768
"1236269"	370.184968	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+ACN+Na"	64.015768
"1719688"	370.208493	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+NH4+HCOOH"	64.039293
"1187229"	125.045618	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+3Na"	68.967654
"1657123"	375.163888	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Na+HCOOH"	68.994688
"161798"	689.25744	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+2K-H"	76.91904
"600265"	995.42664	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+2K-H"	76.91904
"1089148"	383.08824	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2K-H"	76.91904
"145601"	345.132358	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"2M+2K"	77.926316
"584796"	498.216958	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"3M+2K"	77.926316
"1072225"	192.047758	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2K"	77.926316
"1107622"	385.102792	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2K+H"	78.933592
"1342913"	385.190407	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+DMSO+H"	79.021207
"1018975"	389.229576	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2ACN+H"	83.060376
"1532847"	390.223208	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+IsoProp+Na+H"	84.054008
"996015"	195.118426	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+2ACN+2H"	84.067652
"1593799"	391.137828	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+K+HCOOH"	84.968628
"1417271"	421.169338	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+H+CF3COOH"	115.000138
"1150839"	215.631701	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+3ACN+2H"	125.094202
"1700392"	438.195885	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+NH4+CF3COOH"	132.026685
"1639324"	443.15128	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+Na+CF3COOH"	136.98208
"1580449"	459.12522	"C01670"	"Bz-Arg-OEt"	"C15H22N4O3"	"306.1692"	"M+K+CF3COOH"	152.95602
"801644"	102.1157	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M"	0
"979974"	83.09731	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-H2O-H"	-19.01839
"64934"	67.0698573333333	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M-3H"	-3.021828
"506681"	101.108424	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M-3H"	-3.021828
"880026"	33.0312906666667	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-3H"	-3.021828
"3060"	101.108424	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M-2H"	-2.014552
"444807"	152.166274	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M-2H"	-2.014552
"820423"	50.050574	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-2H"	-2.014552
"90254"	203.224124	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M-H"	-1.007276
"524349"	305.339824	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M-H"	-1.007276
"899963"	101.108424	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-H"	-1.007276
"52155"	220.250671	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M-2H+NH4"	16.019271
"487460"	322.366371	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M-2H+NH4"	16.019271
"870611"	118.134971	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-2H+NH4"	16.019271
"43983"	225.206066	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M-2H+Na"	20.974666
"482451"	327.321766	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M-2H+Na"	20.974666
"863496"	123.090366	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-2H+Na"	20.974666
"1630889"	123.090366	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Na-2H"	20.974666
"107052"	119.096763	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M-H+Cl"	33.962126
"546976"	170.154613	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M-H+Cl"	33.962126
"938301"	68.038913	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-H+Cl"	33.962126
"277950"	239.200802	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+Cl"	34.969402
"670371"	341.316502	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+Cl"	34.969402
"1279492"	137.085102	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Cl"	34.969402
"22048"	241.180006	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M-2H+K"	36.948606
"462706"	343.295706	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M-2H+K"	36.948606
"835039"	139.064306	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-2H+K"	36.948606
"1558891"	139.064306	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+K-2H"	36.948606
"948964"	147.113894	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-H+HCOOH"	44.998194
"376988"	249.229601	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+HCOOH-H"	44.998201
"360673"	263.245251	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+Hac-H"	59.013851
"1507925"	161.129551	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Hac-H"	59.013851
"971465"	169.095851	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-H+NaCOOH"	66.980151
"123645"	137.085102	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+2Cl"	69.938804
"562121"	188.142952	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+2Cl"	69.938804
"1035294"	86.027252	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2Cl"	69.938804
"1254869"	181.034585	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Br"	78.918885
"1319140"	183.090572	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Cl+HCOOH"	80.974872
"1332623"	205.072529	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Cl+NaCOOH"	102.956829
"925506"	215.101286	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M-H+CF3COOH"	112.985586
"1302948"	251.077964	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Cl+CF3COOH"	148.962264
"1379651"	67.103024	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H-2H2O"	-35.012676
"1391679"	85.113	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H-H2O"	-17.0027
"295738"	205.238676	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+H"	1.007276
"684880"	307.354376	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+H"	1.007276
"1360134"	103.122976	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H"	1.007276
"130838"	103.122976	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+2H"	2.014552
"576957"	154.180826	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+2H"	2.014552
"1043570"	52.065126	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2H"	2.014552
"214753"	69.0844093333333	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+3H"	3.021828
"655403"	103.122976	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+3H"	3.021828
"1172435"	35.0458426666667	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+3H"	3.021828
"433523"	222.265223	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+NH4"	18.033823
"794517"	324.380923	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+NH4"	18.033823
"1690848"	120.149523	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+NH4"	18.033823
"332200"	111.6362495	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+H+NH4"	19.041099
"725351"	162.6940995	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+H+NH4"	19.041099
"1486462"	60.5783995	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H+NH4"	19.041099
"393841"	227.220618	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+Na"	22.989218
"769180"	329.336318	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+Na"	22.989218
"1607682"	125.104918	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Na"	22.989218
"327563"	114.113947	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+H+Na"	23.996494
"716702"	165.171797	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+H+Na"	23.996494
"1471619"	63.056097	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H+Na"	23.996494
"1062677"	42.3731566666667	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2H+Na"	25.00377
"1271646"	135.149186	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+CH3OH+H"	33.033486
"387305"	243.194558	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+K"	38.963158
"746114"	345.310258	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+K"	38.963158
"1553633"	141.078858	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+K"	38.963158
"313852"	122.100917	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+H+K"	39.970434
"704324"	173.158767	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+H+K"	39.970434
"1459236"	71.043067	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H+K"	39.970434
"248930"	246.265226	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+ACN+H"	42.033826
"1223829"	144.149526	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+ACN+H"	42.033826
"1205166"	72.578401	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+ACN+2H"	43.041102
"194025"	249.20256	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+2Na-H"	44.97116
"632491"	351.31826	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+2Na-H"	44.97116
"1134904"	147.08686	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2Na-H"	44.97116
"182567"	125.104918	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+2Na"	45.978436
"623220"	176.162768	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+2Na"	45.978436
"1120167"	74.047068	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2Na"	45.978436
"1411710"	49.7004706666667	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H+2Na"	46.985712
"1434350"	149.128446	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H+HCOOH"	47.012746
"227692"	130.13794	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+3H2O+2H"	56.04448
"1521954"	163.18049	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+IsoProp+H"	61.06479
"422739"	133.091888	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+Na+K"	61.952376
"784460"	184.149738	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+Na+K"	61.952376
"1678241"	82.034038	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Na+K"	61.952376
"263670"	268.247168	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+ACN+Na"	64.015768
"1236379"	166.131468	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+ACN+Na"	64.015768
"1719799"	166.154993	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+NH4+HCOOH"	64.039293
"1190620"	57.0277846666667	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+3Na"	68.967654
"1660513"	171.110388	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Na+HCOOH"	68.994688
"166282"	281.15044	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+2K-H"	76.91904
"600375"	383.26614	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+2K-H"	76.91904
"1087071"	179.03474	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2K-H"	76.91904
"146440"	141.078858	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"2M+2K"	77.926316
"585270"	192.136708	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"3M+2K"	77.926316
"1072699"	90.021008	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2K"	77.926316
"1108825"	181.049292	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2K+H"	78.933592
"1344117"	181.136907	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+DMSO+H"	79.021207
"1017019"	185.176076	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2ACN+H"	83.060376
"1531864"	186.169708	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+IsoProp+Na+H"	84.054008
"991751"	93.091676	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+2ACN+2H"	84.067652
"1590628"	187.084328	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+K+HCOOH"	84.968628
"1416409"	217.115838	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+H+CF3COOH"	115.000138
"1148397"	113.604951	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+3ACN+2H"	125.094202
"1697586"	234.142385	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+NH4+CF3COOH"	132.026685
"1636154"	239.09778	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+Na+CF3COOH"	136.98208
"1580559"	255.07172	"C01672"	"Cadaverine;15-Pentanediamine;15-Diaminopentane;Pentamethylenediamine"	"C5H14N2"	"102.1157"	"M+K+CF3COOH"	152.95602
"801413"	416.329	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M"	0
"978991"	397.31061	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"63059"	276.545390666667	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"504604"	415.321724	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"880151"	137.769057333333	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"3170"	415.321724	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"441637"	623.486224	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"817980"	207.157224	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"87084"	831.650724	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"524458"	1247.979724	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"897887"	415.321724	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"52265"	848.677271	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"488541"	1265.006271	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"865979"	432.348271	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"44093"	853.632666	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"482561"	1269.961666	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"862917"	437.303666	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1630999"	437.303666	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"106433"	433.310063	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"547086"	641.474563	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"937683"	225.145563	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"279153"	867.627402	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"671574"	1283.956402	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1279602"	451.298402	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"22158"	869.606606	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"459532"	1285.935606	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"836605"	453.277606	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1558636"	453.277606	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"950896"	461.327194	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"377039"	877.656201	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"358106"	891.671851	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1507916"	475.342851	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"973274"	483.309151	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"124483"	451.298402	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"562228"	659.462902	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1035401"	243.133902	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1254248"	495.247885	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1319734"	497.303872	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1332734"	519.285829	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"925980"	529.314586	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1298313"	565.291264	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1380852"	381.316324	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1396162"	399.3263	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"289287"	833.665276	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"681710"	1249.994276	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1356962"	417.336276	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"128760"	417.336276	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"572693"	625.500776	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1042587"	209.171776	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"211580"	278.559942666667	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"651140"	417.336276	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1169265"	139.783609333333	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"429256"	850.691823	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"791347"	1267.020823	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1688771"	434.362823	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"331582"	425.8495495	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"725097"	634.0140495	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1489852"	217.6850495	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"395408"	855.647218	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"769048"	1271.976218	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1607792"	439.318218	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"325487"	428.327247	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"715719"	636.491747	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1471729"	220.162747	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1061694"	147.110923333333	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1271514"	449.362486	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"386321"	871.621158	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"747317"	1287.950158	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1554472"	455.292158	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"313109"	436.314217	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"703341"	644.478717	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1460439"	228.149717	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"250012"	874.691826	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1221753"	458.362826	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1205274"	229.685051	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"199599"	877.62916	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"640255"	1293.95816	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1139383"	461.30016	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"176114"	439.318218	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"617862"	647.482718	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1118088"	231.153718	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1401612"	154.438237333333	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1431541"	463.341746	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"229985"	444.35124	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1516957"	477.39379	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"421021"	447.305188	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"783476"	655.469688	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1677987"	239.140688	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"262687"	896.673768	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1235395"	480.344768	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1723187"	480.368293	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1187449"	161.765551333333	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1660623"	485.323688	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"164205"	909.57704	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"602670"	1325.90604	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1090463"	493.24804	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"149466"	455.292158	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"585016"	663.456658	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1073538"	247.127658	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1106749"	495.262592	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1344226"	495.350207	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1014942"	499.389376	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1530880"	500.383008	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"991861"	250.198326	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1587943"	501.297628	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1415426"	531.329138	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1147779"	270.711601	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1697332"	548.355685	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1637357"	553.31108	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1580669"	569.28502	"C01673"	"Calcitriol;1alpha25-Dihydroxyvitamin D3;(1S3R5Z7E)-910-Seco-5710(19)-cholestatriene-1325-triol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"801675"	424.1693	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M"	0
"979101"	405.15091	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-H2O-H"	-19.01839
"63411"	281.772257333333	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M-3H"	-3.021828
"506901"	423.162024	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M-3H"	-3.021828
"880526"	140.382490666667	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-3H"	-3.021828
"3280"	423.162024	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M-2H"	-2.014552
"441745"	635.246674	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M-2H"	-2.014552
"817848"	211.077374	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-2H"	-2.014552
"83914"	847.331324	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M-H"	-1.007276
"527848"	1271.500624	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M-H"	-1.007276
"897997"	423.162024	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-H"	-1.007276
"52375"	864.357871	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M-2H+NH4"	16.019271
"489256"	1288.527171	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M-2H+NH4"	16.019271
"866453"	440.188571	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-2H+NH4"	16.019271
"38733"	869.313266	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M-2H+Na"	20.974666
"472219"	1293.482566	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M-2H+Na"	20.974666
"855004"	445.143966	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-2H+Na"	20.974666
"1632565"	445.143966	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Na-2H"	20.974666
"107273"	441.150363	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M-H+Cl"	33.962126
"545735"	653.235013	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M-H+Cl"	33.962126
"936700"	229.065713	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-H+Cl"	33.962126
"279627"	883.308002	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+Cl"	34.969402
"673504"	1307.477302	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+Cl"	34.969402
"1277525"	459.138702	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Cl"	34.969402
"17893"	885.287206	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M-2H+K"	36.948606
"456726"	1309.456506	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M-2H+K"	36.948606
"834407"	461.117906	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-2H+K"	36.948606
"1557651"	461.117906	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+K-2H"	36.948606
"949910"	469.167494	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-H+HCOOH"	44.998194
"370318"	893.336801	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+HCOOH-H"	44.998201
"356756"	907.352451	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+Hac-H"	59.013851
"1507415"	483.183151	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Hac-H"	59.013851
"973137"	491.149451	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-H+NaCOOH"	66.980151
"123863"	459.138702	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+2Cl"	69.938804
"562704"	671.223352	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+2Cl"	69.938804
"1035511"	247.054052	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2Cl"	69.938804
"1253995"	503.088185	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Br"	78.918885
"1318630"	505.144172	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Cl+HCOOH"	80.974872
"1332844"	527.126129	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Cl+NaCOOH"	102.956829
"926576"	537.154886	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M-H+CF3COOH"	112.985586
"1298423"	573.131564	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Cl+CF3COOH"	148.962264
"1381812"	389.156624	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H-2H2O"	-35.012676
"1397730"	407.1666	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H-H2O"	-17.0027
"289397"	849.345876	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+H"	1.007276
"685100"	1273.515176	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+H"	1.007276
"1357073"	425.176576	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H"	1.007276
"131057"	425.176576	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+2H"	2.014552
"574990"	637.261226	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+2H"	2.014552
"1043790"	213.091926	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2H"	2.014552
"211690"	283.786809333333	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+3H"	3.021828
"651250"	425.176576	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+3H"	3.021828
"1171562"	142.397042666667	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+3H"	3.021828
"432646"	866.372423	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+NH4"	18.033823
"792550"	1290.541723	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+NH4"	18.033823
"1688881"	442.203123	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+NH4"	18.033823
"330717"	433.6898495	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+H+NH4"	19.041099
"727394"	645.7744995	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+H+NH4"	19.041099
"1486682"	221.6051995	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H+NH4"	19.041099
"395520"	871.327818	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+Na"	22.989218
"769367"	1295.497118	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+Na"	22.989218
"1611182"	447.158518	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Na"	22.989218
"324504"	436.167547	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+H+Na"	23.996494
"718018"	648.252197	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+H+Na"	23.996494
"1474392"	224.082897	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H+Na"	23.996494
"1061804"	149.724356666667	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2H+Na"	25.00377
"1270774"	457.202786	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+CH3OH+H"	33.033486
"390441"	887.301758	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+K"	38.963158
"749614"	1311.471058	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+K"	38.963158
"1554583"	463.132458	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+K"	38.963158
"312491"	444.154517	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+H+K"	39.970434
"706126"	656.239167	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+H+K"	39.970434
"1460308"	232.069867	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H+K"	39.970434
"250487"	890.372426	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+ACN+H"	42.033826
"1222592"	466.203126	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+ACN+H"	42.033826
"1205021"	233.605201	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+ACN+2H"	43.041102
"200803"	893.30976	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+2Na-H"	44.97116
"638908"	1317.47906	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+2Na-H"	44.97116
"1139493"	469.14046	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2Na-H"	44.97116
"176224"	447.158518	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+2Na"	45.978436
"617972"	659.243168	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+2Na"	45.978436
"1118198"	235.073868	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2Na"	45.978436
"1401357"	157.051670666667	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H+2Na"	46.985712
"1432379"	471.182046	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H+HCOOH"	47.012746
"231188"	452.19154	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+3H2O+2H"	56.04448
"1517067"	485.23409	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+IsoProp+H"	61.06479
"421496"	455.145488	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+Na+K"	61.952376
"783950"	667.230138	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+Na+K"	61.952376
"1679919"	243.060838	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Na+K"	61.952376
"264985"	912.354368	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+ACN+Na"	64.015768
"1236600"	488.185068	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+ACN+Na"	64.015768
"1722207"	488.208593	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+NH4+HCOOH"	64.039293
"1188653"	164.378984666667	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+3Na"	68.967654
"1660733"	493.163988	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Na+HCOOH"	68.994688
"163222"	925.25764	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+2K-H"	76.91904
"602780"	1349.42694	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+2K-H"	76.91904
"1090573"	501.08834	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2K-H"	76.91904
"147390"	463.132458	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"2M+2K"	77.926316
"584762"	675.217108	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"3M+2K"	77.926316
"1073648"	251.047808	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2K"	77.926316
"1103943"	503.102892	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2K+H"	78.933592
"1343243"	503.190507	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+DMSO+H"	79.021207
"1016145"	507.229676	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2ACN+H"	83.060376
"1530990"	508.223308	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+IsoProp+Na+H"	84.054008
"991971"	254.118476	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+2ACN+2H"	84.067652
"1587933"	509.137928	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+K+HCOOH"	84.968628
"1415048"	539.169438	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+H+CF3COOH"	115.000138
"1147888"	274.631751	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+3ACN+2H"	125.094202
"1698535"	556.195985	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+NH4+CF3COOH"	132.026685
"1636374"	561.15138	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+Na+CF3COOH"	136.98208
"1580779"	577.12532	"C01674"	"Chitobiose;Diacetylchitobiose;NN-Diacetylchitobiose"	"C16H28N2O11"	"424.1693"	"M+K+CF3COOH"	152.95602
"805675"	358.1562	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M"	0
"982491"	339.13781	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-H2O-H"	-19.01839
"63807"	237.763524	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M-3H"	-3.021828
"504824"	357.148924	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M-3H"	-3.021828
"881047"	118.378124	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-3H"	-3.021828
"593"	357.148924	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M-2H"	-2.014552
"441858"	536.227024	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M-2H"	-2.014552
"821847"	178.070824	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-2H"	-2.014552
"80137"	715.305124	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M-H"	-1.007276
"521763"	1073.461324	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M-H"	-1.007276
"899563"	357.148924	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-H"	-1.007276
"52485"	732.331671	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M-2H+NH4"	16.019271
"489860"	1090.487871	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M-2H+NH4"	16.019271
"866685"	374.175471	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-2H+NH4"	16.019271
"35563"	737.287066	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M-2H+Na"	20.974666
"478405"	1095.443266	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M-2H+Na"	20.974666
"857302"	379.130866	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-2H+Na"	20.974666
"1631217"	379.130866	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Na-2H"	20.974666
"107747"	375.137263	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M-H+Cl"	33.962126
"546576"	554.215363	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M-H+Cl"	33.962126
"939359"	196.059163	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-H+Cl"	33.962126
"278647"	751.281802	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+Cl"	34.969402
"673252"	1109.438002	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+Cl"	34.969402
"1279823"	393.125602	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Cl"	34.969402
"20192"	753.261006	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M-2H+K"	36.948606
"465220"	1111.417206	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M-2H+K"	36.948606
"834396"	395.104806	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-2H+K"	36.948606
"1564321"	395.104806	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+K-2H"	36.948606
"952208"	403.154394	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-H+HCOOH"	44.998194
"372617"	761.310601	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+HCOOH-H"	44.998201
"356139"	775.326251	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+Hac-H"	59.013851
"1502051"	417.170051	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Hac-H"	59.013851
"970325"	425.136351	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-H+NaCOOH"	66.980151
"124461"	393.125602	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+2Cl"	69.938804
"562438"	572.203702	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+2Cl"	69.938804
"1033790"	214.047502	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2Cl"	69.938804
"1255557"	437.075085	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Br"	78.918885
"1318003"	439.131072	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Cl+HCOOH"	80.974872
"1327846"	461.113029	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Cl+NaCOOH"	102.956829
"925102"	471.141786	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M-H+CF3COOH"	112.985586
"1299625"	507.118464	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Cl+CF3COOH"	148.962264
"1372320"	323.143524	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H-2H2O"	-35.012676
"1393098"	341.1535	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H-H2O"	-17.0027
"293879"	717.319676	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+H"	1.007276
"687394"	1075.475876	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+H"	1.007276
"1359369"	359.163476	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H"	1.007276
"132261"	359.163476	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+2H"	2.014552
"570727"	538.241576	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+2H"	2.014552
"1042807"	180.085376	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2H"	2.014552
"213987"	239.778076	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+3H"	3.021828
"651360"	359.163476	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+3H"	3.021828
"1174588"	120.392676	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+3H"	3.021828
"438589"	734.346223	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+NH4"	18.033823
"797763"	1092.502423	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+NH4"	18.033823
"1692270"	376.190023	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+NH4"	18.033823
"335080"	367.6767495	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+H+NH4"	19.041099
"734064"	546.7548495	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+H+NH4"	19.041099
"1486792"	188.5986495	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H+NH4"	19.041099
"403284"	739.301618	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+Na"	22.989218
"769638"	1097.457818	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+Na"	22.989218
"1611292"	381.145418	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Na"	22.989218
"325707"	370.154447	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+H+Na"	23.996494
"717032"	549.232547	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+H+Na"	23.996494
"1476080"	191.076347	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H+Na"	23.996494
"1063008"	127.71999	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2H+Na"	25.00377
"1270154"	391.189686	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+CH3OH+H"	33.033486
"390915"	755.275558	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+K"	38.963158
"748631"	1113.431758	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+K"	38.963158
"1552871"	397.119358	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+K"	38.963158
"312236"	378.141417	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+H+K"	39.970434
"706725"	557.219517	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+H+K"	39.970434
"1460295"	199.063317	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H+K"	39.970434
"250352"	758.346226	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+ACN+H"	42.033826
"1224155"	400.190026	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+ACN+H"	42.033826
"1208041"	200.598651	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+ACN+2H"	43.041102
"201640"	761.28356	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+2Na-H"	44.97116
"643267"	1119.43976	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+2Na-H"	44.97116
"1138510"	403.12736	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2Na-H"	44.97116
"177426"	381.145418	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+2Na"	45.978436
"618081"	560.223518	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+2Na"	45.978436
"1118306"	202.067318	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2Na"	45.978436
"1404019"	135.047304	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H+2Na"	46.985712
"1436134"	405.168946	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H+HCOOH"	47.012746
"229110"	386.17844	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+3H2O+2H"	56.04448
"1519365"	419.22099	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+IsoProp+H"	61.06479
"422700"	389.132388	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+Na+K"	61.952376
"782967"	568.210488	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+Na+K"	61.952376
"1680636"	210.054288	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Na+K"	61.952376
"263999"	780.328168	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+ACN+Na"	64.015768
"1238896"	422.171968	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+ACN+Na"	64.015768
"1725596"	422.195493	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+NH4+HCOOH"	64.039293
"1189856"	142.374618	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+3Na"	68.967654
"1658656"	427.150888	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Na+HCOOH"	68.994688
"169892"	793.23144	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+2K-H"	76.91904
"603984"	1151.38764	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+2K-H"	76.91904
"1089590"	435.07524	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2K-H"	76.91904
"148593"	397.119358	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"2M+2K"	77.926316
"587062"	576.197458	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"3M+2K"	77.926316
"1071576"	218.041258	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2K"	77.926316
"1104785"	437.089792	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2K+H"	78.933592
"1340077"	437.177407	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+DMSO+H"	79.021207
"1015162"	441.216576	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2ACN+H"	83.060376
"1528914"	442.210208	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+IsoProp+Na+H"	84.054008
"991715"	221.111926	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+2ACN+2H"	84.067652
"1593148"	443.124828	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+K+HCOOH"	84.968628
"1415400"	473.156338	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+H+CF3COOH"	115.000138
"1150187"	241.625201	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+3ACN+2H"	125.094202
"1697228"	490.182885	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+NH4+CF3COOH"	132.026685
"1636485"	495.13828	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+Na+CF3COOH"	136.98208
"1580889"	511.11222	"C01675"	"Cilastatin"	"C16H26N2O5S"	"358.1562"	"M+K+CF3COOH"	152.95602
"802505"	284.1121	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M"	0
"974458"	265.09371	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-H2O-H"	-19.01839
"64282"	188.400790666667	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M-3H"	-3.021828
"504205"	283.104824	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M-3H"	-3.021828
"881644"	93.6967573333333	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-3H"	-3.021828
"1313"	283.104824	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M-2H"	-2.014552
"440875"	425.160874	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M-2H"	-2.014552
"821957"	141.048774	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-2H"	-2.014552
"79761"	567.216924	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M-H"	-1.007276
"522602"	851.329024	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M-H"	-1.007276
"898944"	283.104824	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-H"	-1.007276
"51502"	584.243471	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M-2H+NH4"	16.019271
"489970"	868.355571	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M-2H+NH4"	16.019271
"866309"	300.131371	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-2H+NH4"	16.019271
"35673"	589.198866	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M-2H+Na"	20.974666
"477422"	873.310966	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M-2H+Na"	20.974666
"855226"	305.086766	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-2H+Na"	20.974666
"1633148"	305.086766	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Na-2H"	20.974666
"108584"	301.093163	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M-H+Cl"	33.962126
"548144"	443.149213	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M-H+Cl"	33.962126
"941292"	159.037113	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-H+Cl"	33.962126
"280213"	603.193602	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+Cl"	34.969402
"673362"	887.305702	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+Cl"	34.969402
"1279933"	319.081502	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Cl"	34.969402
"22489"	605.172806	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M-2H+K"	36.948606
"465330"	889.284906	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M-2H+K"	36.948606
"834385"	321.060706	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-2H+K"	36.948606
"1563338"	321.060706	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+K-2H"	36.948606
"952318"	329.110294	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-H+HCOOH"	44.998194
"370540"	613.222401	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+HCOOH-H"	44.998201
"354425"	627.238051	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+Hac-H"	59.013851
"1502163"	343.125951	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Hac-H"	59.013851
"966420"	351.092251	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-H+NaCOOH"	66.980151
"119342"	319.081502	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+2Cl"	69.938804
"558171"	461.137552	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+2Cl"	69.938804
"1033900"	177.025452	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2Cl"	69.938804
"1252018"	363.030985	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Br"	78.918885
"1315561"	365.086972	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Cl+HCOOH"	80.974872
"1326499"	387.068929	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Cl+NaCOOH"	102.956829
"921931"	397.097686	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M-H+CF3COOH"	112.985586
"1299371"	433.074364	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Cl+CF3COOH"	148.962264
"1372430"	249.099424	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H-2H2O"	-35.012676
"1393208"	267.1094	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H-H2O"	-17.0027
"286333"	569.231476	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+H"	1.007276
"682036"	853.343576	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+H"	1.007276
"1359481"	285.119376	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H"	1.007276
"131274"	285.119376	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+2H"	2.014552
"573023"	427.175426	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+2H"	2.014552
"1042917"	143.063326	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2H"	2.014552
"210817"	190.415342666667	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+3H"	3.021828
"649282"	285.119376	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+3H"	3.021828
"1169594"	95.7113093333333	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+3H"	3.021828
"431773"	586.258023	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+NH4"	18.033823
"798237"	870.370123	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+NH4"	18.033823
"1686913"	302.145923	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+NH4"	18.033823
"335190"	293.6326495	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+H+NH4"	19.041099
"725791"	435.6886995	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+H+NH4"	19.041099
"1480342"	151.5765995	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H+NH4"	19.041099
"396834"	591.213418	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+Na"	22.989218
"769918"	875.325518	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+Na"	22.989218
"1611402"	307.101318	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Na"	22.989218
"321442"	296.110347	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+H+Na"	23.996494
"712769"	438.166397	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+H+Na"	23.996494
"1470965"	154.054297	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H+Na"	23.996494
"1062024"	103.038623333333	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2H+Na"	25.00377
"1266983"	317.145586	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+CH3OH+H"	33.033486
"388838"	607.187358	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+K"	38.963158
"748741"	891.299458	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+K"	38.963158
"1551888"	323.075258	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+K"	38.963158
"310159"	304.097317	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+H+K"	39.970434
"705497"	446.153367	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+H+K"	39.970434
"1459676"	162.041267	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H+K"	39.970434
"247183"	610.258026	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+ACN+H"	42.033826
"1220985"	326.145926	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+ACN+H"	42.033826
"1205964"	163.576601	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+ACN+2H"	43.041102
"199927"	613.19536	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+2Na-H"	44.97116
"641675"	897.30746	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+2Na-H"	44.97116
"1135340"	329.08326	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2Na-H"	44.97116
"177536"	307.101318	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+2Na"	45.978436
"618191"	449.157368	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+2Na"	45.978436
"1116711"	165.045268	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2Na"	45.978436
"1404129"	110.365937333333	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H+2Na"	46.985712
"1435151"	331.124846	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H+HCOOH"	47.012746
"225940"	312.13434	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+3H2O+2H"	56.04448
"1519474"	345.17689	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+IsoProp+H"	61.06479
"423907"	315.088288	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+Na+K"	61.952376
"783928"	457.144338	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+Na+K"	61.952376
"1681194"	173.032238	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Na+K"	61.952376
"265689"	632.239968	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+ACN+Na"	64.015768
"1237912"	348.127868	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+ACN+Na"	64.015768
"1725705"	348.151393	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+NH4+HCOOH"	64.039293
"1186685"	117.693251333333	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+3Na"	68.967654
"1656943"	353.106788	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Na+HCOOH"	68.994688
"163441"	645.14324	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+2K-H"	76.91904
"606280"	929.25534	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+2K-H"	76.91904
"1088606"	361.03114	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2K-H"	76.91904
"144328"	323.075258	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"2M+2K"	77.926316
"589357"	465.131308	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"3M+2K"	77.926316
"1072777"	181.019208	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2K"	77.926316
"1103071"	363.045692	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2K+H"	78.933592
"1341280"	363.133307	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+DMSO+H"	79.021207
"1013085"	367.172476	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2ACN+H"	83.060376
"1525744"	368.166108	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+IsoProp+Na+H"	84.054008
"991097"	184.089876	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+2ACN+2H"	84.067652
"1593258"	369.080728	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+K+HCOOH"	84.968628
"1415753"	399.112238	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+H+CF3COOH"	115.000138
"1150297"	204.603151	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+3ACN+2H"	125.094202
"1697418"	416.138785	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+NH4+CF3COOH"	132.026685
"1635502"	421.09418	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+Na+CF3COOH"	136.98208
"1580999"	437.06812	"C01677"	"Coformycin"	"C11H16N4O5"	"284.1121"	"M+K+CF3COOH"	152.95602
"804802"	77.0299	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M"	0
"977243"	58.01151	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-H2O-H"	-19.01839
"65486"	50.3459906666667	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M-3H"	-3.021828
"503951"	76.022624	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M-3H"	-3.021828
"882847"	24.6693573333333	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-3H"	-3.021828
"2516"	76.022624	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M-2H"	-2.014552
"441349"	114.537574	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M-2H"	-2.014552
"827534"	37.507674	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-2H"	-2.014552
"87526"	153.052524	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M-H"	-1.007276
"524899"	230.082424	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M-H"	-1.007276
"898327"	76.022624	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-H"	-1.007276
"51612"	170.079071	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M-2H+NH4"	16.019271
"488987"	247.108971	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M-2H+NH4"	16.019271
"865693"	93.049171	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-2H+NH4"	16.019271
"35783"	175.034466	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M-2H+Na"	20.974666
"477532"	252.064366	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M-2H+Na"	20.974666
"856429"	98.004566	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-2H+Na"	20.974666
"1633953"	98.004566	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Na-2H"	20.974666
"108330"	94.010963	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M-H+Cl"	33.962126
"547887"	132.525913	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M-H+Cl"	33.962126
"941036"	55.496013	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-H+Cl"	33.962126
"278500"	189.029202	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+Cl"	34.969402
"669827"	266.059102	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+Cl"	34.969402
"1281136"	111.999302	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Cl"	34.969402
"22599"	191.008406	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M-2H+K"	36.948606
"458879"	268.038306	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M-2H+K"	36.948606
"834495"	113.978506	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-2H+K"	36.948606
"1563448"	113.978506	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+K-2H"	36.948606
"951334"	122.028094	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-H+HCOOH"	44.998194
"370650"	199.058001	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+HCOOH-H"	44.998201
"355627"	213.073651	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+Hac-H"	59.013851
"1500085"	136.043751	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Hac-H"	59.013851
"964349"	144.010051	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-H+NaCOOH"	66.980151
"118719"	111.999302	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+2Cl"	69.938804
"556094"	150.514252	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+2Cl"	69.938804
"1033646"	73.484352	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2Cl"	69.938804
"1249942"	155.948785	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Br"	78.918885
"1316037"	158.004772	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Cl+HCOOH"	80.974872
"1326609"	179.986729	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Cl+NaCOOH"	102.956829
"922770"	190.015486	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M-H+CF3COOH"	112.985586
"1299481"	225.992164	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Cl+CF3COOH"	148.962264
"1371446"	42.017224	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H-2H2O"	-35.012676
"1393320"	60.0272	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H-H2O"	-17.0027
"285349"	155.067076	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+H"	1.007276
"681055"	232.096976	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+H"	1.007276
"1355583"	78.037176	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H"	1.007276
"129198"	78.037176	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+2H"	2.014552
"568761"	116.552126	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+2H"	2.014552
"1037089"	39.522226	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2H"	2.014552
"204390"	52.3605426666667	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+3H"	3.021828
"644338"	78.037176	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+3H"	3.021828
"1163628"	26.6839093333333	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+3H"	3.021828
"427509"	172.093623	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+NH4"	18.033823
"791787"	249.123523	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+NH4"	18.033823
"1681673"	95.063723	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+NH4"	18.033823
"330439"	86.5504495	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+H+NH4"	19.041099
"723714"	125.0653995	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+H+NH4"	19.041099
"1483732"	48.0354995	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H+NH4"	19.041099
"396944"	177.049018	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+Na"	22.989218
"764505"	254.078918	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+Na"	22.989218
"1610419"	100.019118	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Na"	22.989218
"320458"	89.028147	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+H+Na"	23.996494
"717252"	127.543097	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+H+Na"	23.996494
"1472168"	50.513197	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H+Na"	23.996494
"1058852"	34.0112233333333	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2H+Na"	25.00377
"1268187"	110.063386	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+CH3OH+H"	33.033486
"390041"	193.022958	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+K"	38.963158
"751038"	270.052858	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+K"	38.963158
"1549811"	115.993058	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+K"	38.963158
"312457"	97.015117	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+H+K"	39.970434
"705607"	135.530067	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+H+K"	39.970434
"1459786"	58.500167	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H+K"	39.970434
"245106"	196.093626	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+ACN+H"	42.033826
"1220002"	119.063726	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+ACN+H"	42.033826
"1203888"	60.035501	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+ACN+2H"	43.041102
"197851"	199.03096	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+2Na-H"	44.97116
"640692"	276.06086	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+2Na-H"	44.97116
"1132897"	122.00106	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2Na-H"	44.97116
"177646"	100.019118	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+2Na"	45.978436
"615142"	138.534068	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+2Na"	45.978436
"1116094"	61.504168	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2Na"	45.978436
"1404239"	41.3385373333333	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H+2Na"	46.985712
"1431981"	124.042646	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H+HCOOH"	47.012746
"224957"	105.05214	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+3H2O+2H"	56.04448
"1517397"	138.09469	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+IsoProp+H"	61.06479
"424015"	108.006088	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+Na+K"	61.952376
"784280"	146.521038	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+Na+K"	61.952376
"1680493"	69.491138	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Na+K"	61.952376
"263129"	218.075568	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+ACN+Na"	64.015768
"1234013"	141.045668	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+ACN+Na"	64.015768
"1725815"	141.069193	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+NH4+HCOOH"	64.039293
"1185702"	48.6658513333333	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+3Na"	68.967654
"1653773"	146.024588	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Na+HCOOH"	68.994688
"162092"	230.97884	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+2K-H"	76.91904
"604203"	308.00874	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+2K-H"	76.91904
"1089810"	153.94894	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2K-H"	76.91904
"143709"	115.993058	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"2M+2K"	77.926316
"591654"	154.508008	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"3M+2K"	77.926316
"1070700"	77.478108	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2K"	77.926316
"1106097"	155.963492	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2K+H"	78.933592
"1344670"	156.051107	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+DMSO+H"	79.021207
"1013195"	160.090276	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2ACN+H"	83.060376
"1528041"	161.083908	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+IsoProp+Na+H"	84.054008
"990842"	80.548776	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+2ACN+2H"	84.067652
"1592275"	161.998528	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+K+HCOOH"	84.968628
"1415377"	192.030038	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+H+CF3COOH"	115.000138
"1149314"	101.062051	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+3ACN+2H"	125.094202
"1697528"	209.056585	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+NH4+CF3COOH"	132.026685
"1635612"	214.01198	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+Na+CF3COOH"	136.98208
"1581109"	229.98592	"C01678"	"Cysteamine;2-Aminoethanethiol;beta-Aminoethanethiol;beta-Mercaptoethylamine;Mercaptamine;Thioethanolamine"	"C2H7NS"	"77.0299"	"M+K+CF3COOH"	152.95602
"802725"	180.0634	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M"	0
"979540"	161.04501	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"64503"	119.034990666667	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"506250"	179.056124	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"885145"	59.0138573333333	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"2627"	179.056124	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444375"	269.087824	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"826552"	89.024424	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"87635"	359.119524	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"528289"	539.182924	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"904997"	179.056124	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"51722"	376.146071	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"487195"	556.209471	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"864582"	196.082671	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"34800"	381.101466	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"477642"	561.164866	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"855446"	201.038066	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1633248"	201.038066	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"109170"	197.044463	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"547269"	287.076163	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"940054"	107.012763	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"278611"	395.096202	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"668844"	575.159602	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1282339"	215.032802	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"22709"	397.075406	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"458989"	577.138806	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"834604"	217.012006	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1560278"	217.012006	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"949257"	225.061594	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"369661"	405.125001	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351359"	419.140651	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1495818"	239.077251	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"963358"	247.043551	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"117736"	215.032802	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"558389"	305.064502	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1030473"	125.001102	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1252239"	258.982285	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1317604"	261.038272	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1329998"	283.020229	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"922151"	293.048986	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296675"	329.025664	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1375930"	145.050724	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1392334"	163.0607	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"295303"	361.134076	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"682257"	541.197476	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1358606"	181.070676	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"128216"	181.070676	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"567776"	271.102376	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1037544"	91.038976	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"204637"	121.049542666667	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"644426"	181.070676	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1163617"	61.0284093333333	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"427619"	378.160623	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"795176"	558.224023	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1681661"	198.097223	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"330386"	189.5839495	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"723945"	279.6156495	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1483842"	99.5522495	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"398147"	383.116018	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"767895"	563.179418	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1610529"	203.052618	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"320568"	192.061647	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"715176"	282.093347	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1472278"	102.029947	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1056776"	68.3557233333333	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1269390"	213.096886	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"386871"	399.089958	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"747867"	579.153358	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1549921"	219.026558	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"312567"	200.048617	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"703895"	290.080317	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1459532"	110.016917	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"245216"	402.160626	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1219018"	222.097226	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1201809"	111.552251	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"194680"	405.09796	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"639345"	585.16136	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1133372"	225.03456	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"173746"	203.052618	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"615252"	293.084318	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1115789"	113.020918	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1399123"	75.6830373333333	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1432091"	227.076146	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"225067"	208.08564	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520787"	241.12819	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"424125"	211.039588	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"784269"	301.071288	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1677808"	121.007888	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265061"	424.142568	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1237040"	244.079168	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1725926"	244.102693	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1192374"	83.0103513333333	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656070"	249.058088	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"166941"	437.04584	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"608686"	617.10924	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1094295"	256.98244	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"154390"	219.026558	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"593950"	309.058258	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1081743"	128.994858	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1108392"	258.996992	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1341496"	259.084607	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1008934"	263.123776	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1530339"	264.117408	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"992412"	132.065526	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1593478"	265.032028	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1414395"	295.063538	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1147234"	152.578801	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1697153"	312.090085	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1635722"	317.04548	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1581219"	333.01942	"C01680"	"D-Fuconate"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"811583"	304.1383	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M"	0
"985119"	285.11991	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-H2O-H"	-19.01839
"71173"	201.751590666667	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M-3H"	-3.021828
"504173"	303.131024	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M-3H"	-3.021828
"886349"	100.372157333333	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-3H"	-3.021828
"1645"	303.131024	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M-2H"	-2.014552
"443393"	455.200174	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M-2H"	-2.014552
"820102"	151.061874	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-2H"	-2.014552
"81187"	607.269324	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M-H"	-1.007276
"525120"	911.407624	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M-H"	-1.007276
"897088"	303.131024	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-H"	-1.007276
"47817"	624.295871	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M-2H+NH4"	16.019271
"489207"	928.434171	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M-2H+NH4"	16.019271
"864817"	320.157571	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-2H+NH4"	16.019271
"34910"	629.251266	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M-2H+Na"	20.974666
"478847"	933.389566	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M-2H+Na"	20.974666
"863460"	325.112966	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-2H+Na"	20.974666
"1632633"	325.112966	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Na-2H"	20.974666
"108066"	321.119363	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M-H+Cl"	33.962126
"547017"	473.188513	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M-H+Cl"	33.962126
"939437"	169.050213	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-H+Cl"	33.962126
"281035"	643.246002	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+Cl"	34.969402
"673331"	947.384302	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+Cl"	34.969402
"1285003"	339.107702	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Cl"	34.969402
"25006"	645.225206	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M-2H+K"	36.948606
"463474"	949.363506	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M-2H+K"	36.948606
"840182"	341.086906	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-2H+K"	36.948606
"1566949"	341.086906	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+K-2H"	36.948606
"951553"	349.136494	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-H+HCOOH"	44.998194
"368677"	653.274801	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+HCOOH-H"	44.998201
"350740"	667.290451	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+Hac-H"	59.013851
"1499209"	363.152151	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Hac-H"	59.013851
"966750"	371.118451	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-H+NaCOOH"	66.980151
"120030"	339.107702	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+2Cl"	69.938804
"557406"	491.176852	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+2Cl"	69.938804
"1027303"	187.038552	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2Cl"	69.938804
"1247244"	383.057185	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Br"	78.918885
"1316619"	385.113172	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Cl+HCOOH"	80.974872
"1327920"	407.095129	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Cl+NaCOOH"	102.956829
"921894"	417.123886	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M-H+CF3COOH"	112.985586
"1296783"	453.100564	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Cl+CF3COOH"	148.962264
"1370571"	269.125624	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H-2H2O"	-35.012676
"1385882"	287.1356	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H-H2O"	-17.0027
"287756"	609.283876	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+H"	1.007276
"684554"	913.422176	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+H"	1.007276
"1357621"	305.145576	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H"	1.007276
"129420"	305.145576	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+2H"	2.014552
"568979"	457.214726	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+2H"	2.014552
"1038505"	153.076426	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2H"	2.014552
"206772"	203.766142666667	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+3H"	3.021828
"644748"	305.145576	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+3H"	3.021828
"1164698"	102.386709333333	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+3H"	3.021828
"425663"	626.310423	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+NH4"	18.033823
"793099"	930.448723	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+NH4"	18.033823
"1687243"	322.172123	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+NH4"	18.033823
"334428"	313.6588495	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+H+NH4"	19.041099
"726850"	465.7279995	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+H+NH4"	19.041099
"1483952"	161.5896995	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H+NH4"	19.041099
"400445"	631.265818	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+Na"	22.989218
"768982"	935.404118	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+Na"	22.989218
"1610639"	327.127518	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Na"	22.989218
"325052"	316.136547	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+H+Na"	23.996494
"717473"	468.205697	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+H+Na"	23.996494
"1471296"	164.067397	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H+Na"	23.996494
"1061261"	109.714023333333	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2H+Na"	25.00377
"1268408"	337.171786	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+CH3OH+H"	33.033486
"390262"	647.239758	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+K"	38.963158
"751258"	951.378058	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+K"	38.963158
"1553312"	343.101458	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+K"	38.963158
"309394"	324.123517	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+H+K"	39.970434
"704735"	476.192667	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+H+K"	39.970434
"1458913"	172.054367	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H+K"	39.970434
"247515"	650.310426	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+ACN+H"	42.033826
"1219130"	346.172126	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+ACN+H"	42.033826
"1201919"	173.589701	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+ACN+2H"	43.041102
"193697"	653.24776	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+2Na-H"	44.97116
"637632"	957.38606	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+2Na-H"	44.97116
"1132389"	349.10946	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2Na-H"	44.97116
"177866"	327.127518	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+2Na"	45.978436
"615362"	479.196668	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+2Na"	45.978436
"1118746"	175.058368	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2Na"	45.978436
"1399354"	117.041337333333	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H+2Na"	46.985712
"1431108"	351.151046	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H+HCOOH"	47.012746
"221897"	332.16054	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+3H2O+2H"	56.04448
"1516524"	365.20309	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+IsoProp+H"	61.06479
"423386"	335.114488	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+Na+K"	61.952376
"784262"	487.183638	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+Na+K"	61.952376
"1679987"	183.045338	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Na+K"	61.952376
"265173"	672.292368	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+ACN+Na"	64.015768
"1236421"	368.154068	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+ACN+Na"	64.015768
"1723849"	368.177593	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+NH4+HCOOH"	64.039293
"1189567"	124.368651333333	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+3Na"	68.967654
"1656180"	373.132988	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Na+HCOOH"	68.994688
"165957"	685.19564	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+2K-H"	76.91904
"602235"	989.33394	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+2K-H"	76.91904
"1092217"	381.05734	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2K-H"	76.91904
"152313"	343.101458	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"2M+2K"	77.926316
"591873"	495.170608	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"3M+2K"	77.926316
"1080758"	191.032308	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2K"	77.926316
"1106315"	383.071892	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2K+H"	78.933592
"1342701"	383.159507	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+DMSO+H"	79.021207
"1011231"	387.198676	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2ACN+H"	83.060376
"1526075"	388.192308	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+IsoProp+Na+H"	84.054008
"996900"	194.102976	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+2ACN+2H"	84.067652
"1590307"	389.106928	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+K+HCOOH"	84.968628
"1417061"	419.138438	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+H+CF3COOH"	115.000138
"1148563"	214.616251	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+3ACN+2H"	125.094202
"1697256"	436.164985	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+NH4+CF3COOH"	132.026685
"1640207"	441.12038	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+Na+CF3COOH"	136.98208
"1581329"	457.09432	"C01682"	"Nopaline;D-Nopaline;N2-(D-13-Dicarboxypropyl)-L-arginine;N-(1S)-4-Carbamimidamido-1-carboxybutyl-D-glutamic acid"	"C11H20N4O6"	"304.1383"	"M+K+CF3COOH"	152.95602
"802945"	262.1165	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M"	0
"981948"	243.09811	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-H2O-H"	-19.01839
"65815"	173.737057333333	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M-3H"	-3.021828
"505376"	261.109224	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M-3H"	-3.021828
"885365"	86.3648906666667	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-3H"	-3.021828
"5034"	261.109224	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M-2H"	-2.014552
"442409"	392.167474	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M-2H"	-2.014552
"820211"	130.050974	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-2H"	-2.014552
"84577"	523.225724	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M-H"	-1.007276
"525230"	785.342224	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M-H"	-1.007276
"899752"	261.109224	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-H"	-1.007276
"48901"	540.252271	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M-2H+NH4"	16.019271
"489438"	802.368771	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M-2H+NH4"	16.019271
"865414"	278.135771	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-2H+NH4"	16.019271
"35020"	545.207666	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M-2H+Na"	20.974666
"480050"	807.324166	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M-2H+Na"	20.974666
"863812"	283.091166	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-2H+Na"	20.974666
"1632986"	283.091166	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Na-2H"	20.974666
"109025"	279.097563	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M-H+Cl"	33.962126
"547854"	410.155813	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M-H+Cl"	33.962126
"936993"	148.039313	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-H+Cl"	33.962126
"278468"	559.202402	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+Cl"	34.969402
"673441"	821.318902	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+Cl"	34.969402
"1282927"	297.085902	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Cl"	34.969402
"25116"	561.181606	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M-2H+K"	36.948606
"463583"	823.298106	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M-2H+K"	36.948606
"840294"	299.065106	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-2H+K"	36.948606
"1561593"	299.065106	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+K-2H"	36.948606
"946196"	307.114694	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-H+HCOOH"	44.998194
"366601"	569.231201	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+HCOOH-H"	44.998201
"350851"	583.246851	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+Hac-H"	59.013851
"1502236"	321.130351	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Hac-H"	59.013851
"964673"	329.096651	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-H+NaCOOH"	66.980151
"115039"	297.085902	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+2Cl"	69.938804
"559702"	428.144152	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+2Cl"	69.938804
"1027777"	166.027652	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2Cl"	69.938804
"1253552"	341.035385	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Br"	78.918885
"1313814"	343.091372	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Cl+HCOOH"	80.974872
"1328030"	365.073329	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Cl+NaCOOH"	102.956829
"922004"	375.102086	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M-H+CF3COOH"	112.985586
"1297986"	411.078764	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Cl+CF3COOH"	148.962264
"1371774"	227.103824	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H-2H2O"	-35.012676
"1387084"	245.1138	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H-H2O"	-17.0027
"286772"	525.240276	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+H"	1.007276
"684663"	787.356776	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+H"	1.007276
"1352627"	263.123776	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H"	1.007276
"131714"	263.123776	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+2H"	2.014552
"569085"	394.182026	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+2H"	2.014552
"1040072"	132.065526	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2H"	2.014552
"209068"	175.751609333333	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+3H"	3.021828
"647534"	263.123776	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+3H"	3.021828
"1162982"	88.3794426666667	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+3H"	3.021828
"425652"	542.266823	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+NH4"	18.033823
"793209"	804.383323	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+NH4"	18.033823
"1687353"	280.150323	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+NH4"	18.033823
"334538"	271.6370495	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+H+NH4"	19.041099
"725867"	402.6952995	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+H+NH4"	19.041099
"1484062"	140.5787995	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H+NH4"	19.041099
"401648"	547.222218	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+Na"	22.989218
"769088"	809.338718	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+Na"	22.989218
"1610749"	285.105718	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Na"	22.989218
"325890"	274.114747	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+H+Na"	23.996494
"721715"	405.172997	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+H+Na"	23.996494
"1475657"	143.056497	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H+Na"	23.996494
"1065743"	95.7067566666666	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2H+Na"	25.00377
"1268517"	295.149986	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+CH3OH+H"	33.033486
"392483"	563.196158	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+K"	38.963158
"751368"	825.312658	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+K"	38.963158
"1553424"	301.079658	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+K"	38.963158
"312786"	282.101717	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+H+K"	39.970434
"705210"	413.159967	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+H+K"	39.970434
"1459024"	151.043467	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H+K"	39.970434
"247990"	566.266826	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+ACN+H"	42.033826
"1220333"	304.150326	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+ACN+H"	42.033826
"1204217"	152.578801	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+ACN+2H"	43.041102
"197087"	569.20416	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+2Na-H"	44.97116
"638835"	831.32066	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+2Na-H"	44.97116
"1135779"	307.08766	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2Na-H"	44.97116
"177977"	285.105718	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+2Na"	45.978436
"618632"	416.163968	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+2Na"	45.978436
"1118857"	154.047468	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2Na"	45.978436
"1400315"	103.034070666667	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H+2Na"	46.985712
"1436686"	309.129246	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H+HCOOH"	47.012746
"230755"	290.13874	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+3H2O+2H"	56.04448
"1517727"	323.18129	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+IsoProp+H"	61.06479
"422158"	293.092688	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+Na+K"	61.952376
"782424"	424.150938	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+Na+K"	61.952376
"1681144"	162.034438	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Na+K"	61.952376
"266132"	588.248768	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+ACN+Na"	64.015768
"1237992"	326.132268	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+ACN+Na"	64.015768
"1724690"	326.155793	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+NH4+HCOOH"	64.039293
"1191866"	110.361384666667	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+3Na"	68.967654
"1663578"	331.111188	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Na+HCOOH"	68.994688
"170805"	601.15204	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+2K-H"	76.91904
"603438"	863.26854	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+2K-H"	76.91904
"1095607"	339.03554	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2K-H"	76.91904
"154609"	301.079658	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"2M+2K"	77.926316
"595262"	432.137908	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"3M+2K"	77.926316
"1081598"	170.021408	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2K"	77.926316
"1110799"	341.050092	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2K+H"	78.933592
"1343904"	341.137707	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+DMSO+H"	79.021207
"1010248"	345.176876	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2ACN+H"	83.060376
"1525455"	346.170508	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+IsoProp+Na+H"	84.054008
"998104"	173.092076	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+2ACN+2H"	84.067652
"1591512"	347.085128	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+K+HCOOH"	84.968628
"1417172"	377.116638	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+H+CF3COOH"	115.000138
"1151833"	193.605351	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+3ACN+2H"	125.094202
"1703573"	394.143185	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+NH4+CF3COOH"	132.026685
"1646878"	399.09858	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+Na+CF3COOH"	136.98208
"1584719"	415.07252	"C01683"	"Ornaline;Nopalinic acid"	"C10H18N2O6"	"262.1165"	"M+K+CF3COOH"	152.95602
"803055"	164.0685	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M"	0
"982058"	145.05011	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"67018"	108.371724	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"505486"	163.061224	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"887661"	53.682224	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"6237"	163.061224	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"443611"	245.095474	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"822507"	81.026974	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"87967"	327.129724	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"528620"	491.198224	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"903141"	163.061224	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"49863"	344.156271	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"488937"	508.224771	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"867225"	180.087771	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"37316"	349.111666	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"482346"	513.180166	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"856865"	185.043166	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1629681"	185.043166	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"107305"	181.049563	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"546504"	263.083813	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"938563"	99.015313	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"282345"	363.106402	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"670634"	527.174902	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1283038"	199.037902	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"25226"	365.085606	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"463693"	529.154106	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"843683"	201.017106	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1562796"	201.017106	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"946306"	209.066694	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"369990"	373.135201	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"351690"	387.150851	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1501616"	223.082351	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"963690"	231.048651	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"115879"	199.037902	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"555439"	281.072152	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1028610"	117.003652	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1251475"	242.987385	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1315015"	245.043372	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1332877"	267.025329	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"922478"	277.054086	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1292629"	313.030764	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1369696"	129.055824	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1384639"	147.0658	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"285059"	329.144276	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"682587"	493.212776	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1352372"	165.075776	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"132917"	165.075776	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"565764"	247.110026	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1037996"	83.041526	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"205896"	110.386276	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"647642"	165.075776	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1163701"	55.696776	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"424905"	346.170823	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"793319"	510.239323	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1688556"	182.102323	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"334647"	173.5890495	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"728163"	255.6232995	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1484172"	91.5547995	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"400665"	351.126218	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"769726"	515.194718	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1610859"	187.057718	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"329159"	176.066747	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"721825"	258.100997	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1476699"	94.032497	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1065853"	63.02409	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1269722"	197.101986	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"390481"	367.100158	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"751478"	531.168658	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1550253"	203.031658	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"311802"	184.053717	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"704224"	266.087967	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1459135"	102.019467	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"247735"	370.170826	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1223721"	206.102326	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1206146"	103.554801	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"195009"	373.10816	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"632384"	537.17666	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1131750"	209.03966	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"174927"	187.057718	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"613634"	269.091968	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1116410"	105.023468	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1398761"	70.351404	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1431447"	211.081246	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"230865"	192.09074	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1517836"	225.13329	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"422878"	195.044688	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"783263"	277.078938	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1680698"	113.010438	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"265513"	392.152768	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1237373"	228.084268	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1722979"	228.107793	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1190518"	77.678718	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1664053"	233.063188	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"170187"	405.05604	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"605735"	569.12454	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1094624"	240.98754	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"153991"	203.031658	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"593916"	285.065908	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1071140"	120.997408	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1108723"	243.002092	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1342919"	243.089707	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1008167"	247.128876	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1526293"	248.122508	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"996024"	124.068076	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1590527"	249.037128	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1415093"	279.068638	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1148661"	144.581351	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1701495"	296.095185	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1640427"	301.05058	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1584829"	317.02452	"C01684"	"D-Rhamnose;6-Deoxy-D-mannose;D-Mannomethylose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"815195"	166.0477	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M"	0
"982169"	147.02931	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-H2O-H"	-19.01839
"75878"	109.691190666667	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M-3H"	-3.021828
"513252"	165.040424	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M-3H"	-3.021828
"886681"	54.3419573333333	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-3H"	-3.021828
"8537"	165.040424	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M-2H"	-2.014552
"449196"	248.064274	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M-2H"	-2.014552
"822621"	82.016574	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-2H"	-2.014552
"83704"	331.088124	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M-H"	-1.007276
"532012"	497.135824	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M-H"	-1.007276
"903254"	165.040424	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-H"	-1.007276
"52160"	348.114671	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M-2H+NH4"	16.019271
"489170"	514.162371	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M-2H+NH4"	16.019271
"866970"	182.066971	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-2H+NH4"	16.019271
"36333"	353.070066	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M-2H+Na"	20.974666
"483550"	519.117766	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M-2H+Na"	20.974666
"860256"	187.022366	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-2H+Na"	20.974666
"1627604"	187.022366	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Na-2H"	20.974666
"107415"	183.028763	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M-H+Cl"	33.962126
"548437"	266.052613	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M-H+Cl"	33.962126
"939037"	100.004913	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-H+Cl"	33.962126
"282295"	367.064802	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+Cl"	34.969402
"673659"	533.112502	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+Cl"	34.969402
"1285700"	201.017102	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Cl"	34.969402
"25337"	369.044006	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M-2H+K"	36.948606
"465992"	535.091706	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M-2H+K"	36.948606
"842701"	202.996306	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-2H+K"	36.948606
"1565824"	202.996306	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+K-2H"	36.948606
"949699"	211.045894	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-H+HCOOH"	44.998194
"370101"	377.093601	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+HCOOH-H"	44.998201
"356176"	391.109251	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+Hac-H"	59.013851
"1503915"	225.061551	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Hac-H"	59.013851
"969270"	233.027851	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-H+NaCOOH"	66.980151
"118178"	201.017102	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+2Cl"	69.938804
"558833"	284.040952	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+2Cl"	69.938804
"1029820"	117.993252	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2Cl"	69.938804
"1253409"	244.966585	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Br"	78.918885
"1314034"	247.022572	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Cl+HCOOH"	80.974872
"1333352"	269.004529	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Cl+NaCOOH"	102.956829
"923681"	279.033286	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M-H+CF3COOH"	112.985586
"1293832"	315.009964	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Cl+CF3COOH"	148.962264
"1373089"	131.035024	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H-2H2O"	-35.012676
"1384388"	149.045	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H-H2O"	-17.0027
"291366"	333.102676	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+H"	1.007276
"682698"	499.150376	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+H"	1.007276
"1356857"	167.054976	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H"	1.007276
"128653"	167.054976	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+2H"	2.014552
"567483"	250.078826	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+2H"	2.014552
"1040291"	84.031126	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2H"	2.014552
"209287"	111.705742666667	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+3H"	3.021828
"649940"	167.054976	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+3H"	3.021828
"1164785"	56.3565093333333	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+3H"	3.021828
"426965"	350.129223	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+NH4"	18.033823
"790149"	516.176923	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+NH4"	18.033823
"1684293"	184.081523	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+NH4"	18.033823
"333664"	175.5682495	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+H+NH4"	19.041099
"727180"	258.5920995	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+H+NH4"	19.041099
"1486471"	92.5443995	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H+NH4"	19.041099
"408411"	355.084618	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+Na"	22.989218
"768342"	521.132318	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+Na"	22.989218
"1614249"	189.036918	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Na"	22.989218
"329148"	178.045947	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+H+Na"	23.996494
"721088"	261.069797	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+H+Na"	23.996494
"1473815"	95.022097	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H+Na"	23.996494
"1062686"	63.6838233333333	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2H+Na"	25.00377
"1265459"	199.081186	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+CH3OH+H"	33.033486
"385127"	371.058558	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+K"	38.963158
"746123"	537.106258	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+K"	38.963158
"1552552"	205.010858	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+K"	38.963158
"309726"	186.032917	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+H+K"	39.970434
"703237"	269.056767	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+H+K"	39.970434
"1459970"	103.009067	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H+K"	39.970434
"246751"	374.129226	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+H"	42.033826
"1220551"	208.081526	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+ACN+H"	42.033826
"1203340"	104.544401	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+ACN+2H"	43.041102
"189283"	377.06656	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+2Na-H"	44.97116
"629699"	543.11426	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+2Na-H"	44.97116
"1131662"	211.01886	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2Na-H"	44.97116
"174307"	189.036918	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+2Na"	45.978436
"617030"	272.060768	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+2Na"	45.978436
"1117984"	106.013068	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2Na"	45.978436
"1399315"	71.0111373333333	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H+2Na"	46.985712
"1437999"	213.060446	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H+HCOOH"	47.012746
"232068"	194.06994	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+3H2O+2H"	56.04448
"1516852"	227.11249	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+H"	61.06479
"420913"	197.023888	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+Na+K"	61.952376
"784105"	280.047738	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+Na+K"	61.952376
"1681259"	114.000038	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Na+K"	61.952376
"265139"	396.111168	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+Na"	64.015768
"1238213"	230.063468	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+ACN+Na"	64.015768
"1724909"	230.086993	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+NH4+HCOOH"	64.039293
"1190630"	78.3384513333333	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+3Na"	68.967654
"1660519"	235.042388	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Na+HCOOH"	68.994688
"167382"	409.01444	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+2K-H"	76.91904
"610220"	575.06214	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+2K-H"	76.91904
"1096558"	242.96674	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2K-H"	76.91904
"154103"	205.010858	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"2M+2K"	77.926316
"594391"	288.034708	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"3M+2K"	77.926316
"1079998"	121.987008	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2K"	77.926316
"1109927"	244.981292	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2K+H"	78.933592
"1346310"	245.068907	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+DMSO+H"	79.021207
"1007305"	249.108076	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+H"	83.060376
"1527497"	250.101708	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+Na+H"	84.054008
"998319"	125.057676	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+2H"	84.067652
"1590637"	251.016328	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+K+HCOOH"	84.968628
"1416659"	281.047838	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+H+CF3COOH"	115.000138
"1147676"	145.570951	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+3ACN+2H"	125.094202
"1697265"	298.074385	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+NH4+CF3COOH"	132.026685
"1636161"	303.02978	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+Na+CF3COOH"	136.98208
"1584939"	319.00372	"C01685"	"D-Ribonate;D-Ribonic acid"	"C5H10O6"	"166.0477"	"M+K+CF3COOH"	152.95602
"812023"	771.4405	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M"	0
"988474"	752.42211	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-H2O-H"	-19.01839
"77449"	513.286390666667	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M-3H"	-3.021828
"512269"	770.433224	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M-3H"	-3.021828
"885697"	256.139557333333	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-3H"	-3.021828
"8645"	770.433224	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M-2H"	-2.014552
"448207"	1156.153474	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M-2H"	-2.014552
"828195"	384.712974	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-2H"	-2.014552
"92804"	1541.873724	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M-H"	-1.007276
"531397"	2313.314224	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M-H"	-1.007276
"908830"	770.433224	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-H"	-1.007276
"58829"	1558.900271	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M-2H+NH4"	16.019271
"488552"	2330.340771	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M-2H+NH4"	16.019271
"866353"	787.459771	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-2H+NH4"	16.019271
"41909"	1563.855666	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M-2H+Na"	20.974666
"484392"	2335.296166	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M-2H+Na"	20.974666
"860366"	792.415166	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-2H+Na"	20.974666
"1630633"	792.415166	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Na-2H"	20.974666
"106799"	788.421563	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M-H+Cl"	33.962126
"549237"	1174.141813	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M-H+Cl"	33.962126
"938052"	402.701313	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-H+Cl"	33.962126
"281349"	1577.850402	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+Cl"	34.969402
"670489"	2349.290902	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+Cl"	34.969402
"1285446"	806.409902	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Cl"	34.969402
"29825"	1579.829606	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M-2H+K"	36.948606
"467195"	2351.270106	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M-2H+K"	36.948606
"843542"	808.389106	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-2H+K"	36.948606
"1565206"	808.389106	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+K-2H"	36.948606
"949809"	816.438694	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-H+HCOOH"	44.998194
"365839"	1587.879201	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+HCOOH-H"	44.998201
"349722"	1601.894851	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+Hac-H"	59.013851
"1500744"	830.454351	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Hac-H"	59.013851
"967192"	838.420651	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-H+NaCOOH"	66.980151
"120474"	806.409902	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+2Cl"	69.938804
"561126"	1192.130152	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+2Cl"	69.938804
"1031019"	420.689652	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2Cl"	69.938804
"1253882"	850.359385	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Br"	78.918885
"1310862"	852.415372	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Cl+HCOOH"	80.974872
"1330547"	874.397329	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Cl+NaCOOH"	102.956829
"926468"	884.426086	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M-H+CF3COOH"	112.985586
"1303784"	920.402764	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Cl+CF3COOH"	148.962264
"1376476"	736.427824	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H-2H2O"	-35.012676
"1384861"	754.4378	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H-H2O"	-17.0027
"295846"	1543.888276	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+H"	1.007276
"677337"	2315.328776	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+H"	1.007276
"1352712"	772.447776	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H"	1.007276
"128763"	772.447776	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+2H"	2.014552
"566499"	1158.168026	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+2H"	2.014552
"1038579"	386.727526	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2H"	2.014552
"207210"	515.300942666667	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+3H"	3.021828
"650050"	772.447776	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+3H"	3.021828
"1164168"	258.154109333333	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+3H"	3.021828
"424271"	1560.914823	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+NH4"	18.033823
"790260"	2332.355323	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+NH4"	18.033823
"1684404"	789.474323	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+NH4"	18.033823
"334867"	780.9610495	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+H+NH4"	19.041099
"730571"	1166.6812995	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+H+NH4"	19.041099
"1485488"	395.2407995	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H+NH4"	19.041099
"408301"	1565.870218	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+Na"	22.989218
"769297"	2337.310718	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+Na"	22.989218
"1616546"	794.429718	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Na"	22.989218
"328530"	783.438747	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+H+Na"	23.996494
"719008"	1169.158997	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+H+Na"	23.996494
"1473559"	397.718497	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H+Na"	23.996494
"1062796"	265.481423333333	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2H+Na"	25.00377
"1268119"	804.473986	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+CH3OH+H"	33.033486
"385237"	1581.844158	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+K"	38.963158
"746233"	2353.284658	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+K"	38.963158
"1554483"	810.403658	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+K"	38.963158
"306556"	791.425717	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+H+K"	39.970434
"703350"	1177.145967	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+H+K"	39.970434
"1457896"	405.705467	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H+K"	39.970434
"246861"	1584.914826	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+ACN+H"	42.033826
"1218476"	813.474326	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+ACN+H"	42.033826
"1200536"	407.240801	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+ACN+2H"	43.041102
"189397"	1587.85216	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+2Na-H"	44.97116
"632239"	2359.29266	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+2Na-H"	44.97116
"1132465"	816.41166	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2Na-H"	44.97116
"175756"	794.429718	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+2Na"	45.978436
"622607"	1180.149968	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+2Na"	45.978436
"1118458"	408.709468	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2Na"	45.978436
"1400523"	272.808737333333	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H+2Na"	46.985712
"1438109"	818.453246	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H+HCOOH"	47.012746
"228898"	799.46274	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+3H2O+2H"	56.04448
"1516962"	832.50529	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+IsoProp+H"	61.06479
"415919"	802.416688	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+Na+K"	61.952376
"784208"	1188.136938	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+Na+K"	61.952376
"1681106"	416.696438	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Na+K"	61.952376
"265249"	1606.896768	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+ACN+Na"	64.015768
"1239050"	835.456268	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+ACN+Na"	64.015768
"1725384"	835.479793	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+NH4+HCOOH"	64.039293
"1192560"	280.136051333333	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+3Na"	68.967654
"1662815"	840.435188	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Na+HCOOH"	68.994688
"166398"	1619.80004	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+2K-H"	76.91904
"608144"	2391.24054	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+2K-H"	76.91904
"1091564"	848.35954	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2K-H"	76.91904
"155670"	810.403658	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"2M+2K"	77.926316
"594501"	1196.123908	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"3M+2K"	77.926316
"1083264"	424.683408	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2K"	77.926316
"1113314"	850.374092	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2K+H"	78.933592
"1344232"	850.461707	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+DMSO+H"	79.021207
"1009481"	854.500876	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2ACN+H"	83.060376
"1527605"	855.494508	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+IsoProp+Na+H"	84.054008
"997336"	427.754076	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+2ACN+2H"	84.067652
"1592934"	856.409128	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+K+HCOOH"	84.968628
"1421874"	886.440638	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+H+CF3COOH"	115.000138
"1149976"	448.267351	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+3ACN+2H"	125.094202
"1697581"	903.467185	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+NH4+CF3COOH"	132.026685
"1638459"	908.42258	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+Na+CF3COOH"	136.98208
"1581769"	924.39652	"C01687"	"Tylosin B;Desmycosin"	"C39H65NO14"	"771.4405"	"M+K+CF3COOH"	152.95602
"805572"	527.2326	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M"	0
"982388"	508.21421	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-H2O-H"	-19.01839
"75005"	350.481124	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M-3H"	-3.021828
"515660"	526.225324	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M-3H"	-3.021828
"889087"	174.736924	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-3H"	-3.021828
"8755"	526.225324	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M-2H"	-2.014552
"448317"	789.841624	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M-2H"	-2.014552
"828305"	262.609024	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-2H"	-2.014552
"86109"	1053.457924	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M-H"	-1.007276
"522391"	1580.690524	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M-H"	-1.007276
"897276"	526.225324	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-H"	-1.007276
"47519"	1070.484471	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M-2H+NH4"	16.019271
"488175"	1597.717071	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M-2H+NH4"	16.019271
"865614"	543.251871	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-2H+NH4"	16.019271
"40928"	1075.439866	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M-2H+Na"	20.974666
"484503"	1602.672466	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M-2H+Na"	20.974666
"862670"	548.207266	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-2H+Na"	20.974666
"1630380"	548.207266	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Na-2H"	20.974666
"108980"	544.213663	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M-H+Cl"	33.962126
"547930"	807.829963	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M-H+Cl"	33.962126
"936339"	280.597363	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-H+Cl"	33.962126
"280000"	1089.434602	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+Cl"	34.969402
"674615"	1616.667202	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+Cl"	34.969402
"1284828"	562.202002	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Cl"	34.969402
"29571"	1091.413806	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M-2H+K"	36.948606
"467304"	1618.646406	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M-2H+K"	36.948606
"843288"	564.181206	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-2H+K"	36.948606
"1566409"	564.181206	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+K-2H"	36.948606
"952835"	572.230794	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-H+HCOOH"	44.998194
"366676"	1099.463401	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+HCOOH-H"	44.998201
"348738"	1113.479051	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+Hac-H"	59.013851
"1497574"	586.246451	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Hac-H"	59.013851
"970218"	594.212751	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-H+NaCOOH"	66.980151
"121313"	562.202002	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+2Cl"	69.938804
"560874"	825.818302	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+2Cl"	69.938804
"1033681"	298.585702	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2Cl"	69.938804
"1253264"	606.151485	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Br"	78.918885
"1316440"	608.207472	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Cl+HCOOH"	80.974872
"1330657"	630.189429	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Cl+NaCOOH"	102.956829
"926335"	640.218186	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M-H+CF3COOH"	112.985586
"1300612"	676.194864	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Cl+CF3COOH"	148.962264
"1382176"	492.219924	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H-2H2O"	-35.012676
"1387523"	510.2299	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H-H2O"	-17.0027
"295956"	1055.472476	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+H"	1.007276
"682914"	1582.705076	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+H"	1.007276
"1352334"	528.239876	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H"	1.007276
"132153"	528.239876	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+2H"	2.014552
"568433"	791.856176	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+2H"	2.014552
"1040512"	264.623576	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2H"	2.014552
"212787"	352.495676	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+3H"	3.021828
"651253"	528.239876	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+3H"	3.021828
"1165006"	176.751476	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+3H"	3.021828
"424998"	1072.499023	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+NH4"	18.033823
"788181"	1599.731623	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+NH4"	18.033823
"1684511"	545.266423	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+NH4"	18.033823
"337164"	536.7531495	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+H+NH4"	19.041099
"729585"	800.3694495	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+H+NH4"	19.041099
"1482314"	273.1368495	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H+NH4"	19.041099
"403182"	1077.454418	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+Na"	22.989218
"764181"	1604.687018	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+Na"	22.989218
"1611189"	550.221818	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Na"	22.989218
"326335"	539.230847	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+H+Na"	23.996494
"719117"	802.847147	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+H+Na"	23.996494
"1474036"	275.614547	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H+Na"	23.996494
"1065821"	184.07879	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2H+Na"	25.00377
"1267865"	560.266086	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+CH3OH+H"	33.033486
"384253"	1093.428358	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+K"	38.963158
"747436"	1620.660958	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+K"	38.963158
"1553865"	566.195758	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+K"	38.963158
"307759"	547.217817	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+H+K"	39.970434
"700181"	810.834117	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+H+K"	39.970434
"1457277"	283.601517	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H+K"	39.970434
"243691"	1096.499026	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+ACN+H"	42.033826
"1218586"	569.266426	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+ACN+H"	42.033826
"1202468"	285.136851	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+ACN+2H"	43.041102
"189628"	1099.43636	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+2Na-H"	44.97116
"632349"	1626.66896	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+2Na-H"	44.97116
"1131574"	572.20376	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2Na-H"	44.97116
"175866"	550.221818	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+2Na"	45.978436
"616521"	813.838118	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+2Na"	45.978436
"1118568"	286.605518	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2Na"	45.978436
"1400633"	191.406104	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H+2Na"	46.985712
"1437126"	574.245346	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H+HCOOH"	47.012746
"229008"	555.25484	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+3H2O+2H"	56.04448
"1517801"	588.29739	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+IsoProp+H"	61.06479
"415665"	558.208788	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+Na+K"	61.952376
"781036"	821.825088	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+Na+K"	61.952376
"1679200"	294.592488	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Na+K"	61.952376
"262443"	1118.480968	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+ACN+Na"	64.015768
"1239162"	591.248368	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+ACN+Na"	64.015768
"1723307"	591.271893	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+NH4+HCOOH"	64.039293
"1189393"	198.733418	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+3Na"	68.967654
"1661108"	596.227288	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Na+HCOOH"	68.994688
"168694"	1131.38424	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+2K-H"	76.91904
"606065"	1658.61684	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+2K-H"	76.91904
"1093860"	604.15164	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2K-H"	76.91904
"152498"	566.195758	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"2M+2K"	77.926316
"594608"	829.812058	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"3M+2K"	77.926316
"1081310"	302.579458	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2K"	77.926316
"1111236"	606.166192	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2K+H"	78.933592
"1339968"	606.253807	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+DMSO+H"	79.021207
"1009590"	610.292976	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2ACN+H"	83.060376
"1525891"	611.286608	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+IsoProp+Na+H"	84.054008
"995259"	305.650126	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+2ACN+2H"	84.067652
"1594137"	612.201228	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+K+HCOOH"	84.968628
"1419797"	642.232738	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+H+CF3COOH"	115.000138
"1148993"	326.163401	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+3ACN+2H"	125.094202
"1697450"	659.259285	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+NH4+CF3COOH"	132.026685
"1638569"	664.21468	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+Na+CF3COOH"	136.98208
"1585159"	680.18862	"C01688"	"Destomysin;Destomycin A"	"C20H37N3O13"	"527.2326"	"M+K+CF3COOH"	152.95602
"805682"	295.0167	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M"	0
"989432"	275.99831	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-H2O-H"	-19.01839
"77991"	195.670524	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M-3H"	-3.021828
"515771"	294.009424	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M-3H"	-3.021828
"893571"	97.331624	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-3H"	-3.021828
"6679"	294.009424	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M-2H"	-2.014552
"451707"	441.517774	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M-2H"	-2.014552
"830241"	146.501074	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-2H"	-2.014552
"88407"	589.026124	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M-H"	-1.007276
"525781"	884.042824	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M-H"	-1.007276
"898237"	294.009424	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-H"	-1.007276
"49330"	606.052671	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M-2H+NH4"	16.019271
"493147"	901.069371	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M-2H+NH4"	16.019271
"868762"	311.035971	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-2H+NH4"	16.019271
"42497"	611.008066	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M-2H+Na"	20.974666
"486195"	906.024766	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M-2H+Na"	20.974666
"863838"	315.991366	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-2H+Na"	20.974666
"1633287"	315.991366	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Na-2H"	20.974666
"109785"	311.997763	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M-H+Cl"	33.962126
"549791"	459.506113	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M-H+Cl"	33.962126
"937908"	164.489413	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-H+Cl"	33.962126
"281328"	625.002802	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+Cl"	34.969402
"675461"	920.019502	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+Cl"	34.969402
"1287617"	329.986102	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Cl"	34.969402
"29803"	626.982006	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M-2H+K"	36.948606
"470216"	921.998706	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M-2H+K"	36.948606
"846314"	331.965306	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-2H+K"	36.948606
"1567613"	331.965306	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+K-2H"	36.948606
"955864"	340.014894	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-H+HCOOH"	44.998194
"373347"	635.031601	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+HCOOH-H"	44.998201
"352129"	649.047251	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+Hac-H"	59.013851
"1499871"	354.030551	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Hac-H"	59.013851
"966318"	361.996851	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-H+NaCOOH"	66.980151
"120695"	329.986102	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+2Cl"	69.938804
"559160"	477.494452	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+2Cl"	69.938804
"1032332"	182.477752	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2Cl"	69.938804
"1254833"	373.935585	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Br"	78.918885
"1317279"	375.991572	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Cl+HCOOH"	80.974872
"1334780"	397.973529	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Cl+NaCOOH"	102.956829
"926859"	408.002286	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M-H+CF3COOH"	112.985586
"1304089"	443.978964	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Cl+CF3COOH"	148.962264
"1381315"	260.004024	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H-2H2O"	-35.012676
"1390914"	278.014	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H-H2O"	-17.0027
"296067"	591.040676	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+H"	1.007276
"686306"	886.057376	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+H"	1.007276
"1357187"	296.023976	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H"	1.007276
"136637"	296.023976	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+2H"	2.014552
"574012"	443.532326	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+2H"	2.014552
"1047184"	148.515626	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2H"	2.014552
"213991"	197.685076	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+3H"	3.021828
"655738"	296.023976	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+3H"	3.021828
"1169491"	99.346176	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+3H"	3.021828
"430575"	608.067223	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+NH4"	18.033823
"793757"	903.083923	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+NH4"	18.033823
"1684986"	313.050523	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+NH4"	18.033823
"333263"	304.5372495	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+H+NH4"	19.041099
"725319"	452.0455995	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+H+NH4"	19.041099
"1479505"	157.0288995	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H+NH4"	19.041099
"395632"	613.022618	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+Na"	22.989218
"763195"	908.039318	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+Na"	22.989218
"1614581"	318.005918	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Na"	22.989218
"328996"	307.014947	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+H+Na"	23.996494
"719228"	454.523297	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+H+Na"	23.996494
"1474153"	159.506597	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H+Na"	23.996494
"1065574"	106.67349	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2H+Na"	25.00377
"1271623"	328.050186	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+CH3OH+H"	33.033486
"388738"	628.996558	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+K"	38.963158
"751192"	924.013258	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+K"	38.963158
"1552882"	333.979858	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+K"	38.963158
"309691"	315.001917	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+H+K"	39.970434
"705028"	462.510267	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+H+K"	39.970434
"1459575"	167.493567	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H+K"	39.970434
"247081"	632.067226	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+ACN+H"	42.033826
"1220882"	337.050526	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+ACN+H"	42.033826
"1201486"	169.028901	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+ACN+2H"	43.041102
"193626"	635.00456	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+2Na-H"	44.97116
"634646"	930.02126	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+2Na-H"	44.97116
"1141799"	339.98786	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2Na-H"	44.97116
"182902"	318.005918	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+2Na"	45.978436
"621370"	465.514268	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+2Na"	45.978436
"1118678"	170.497568	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2Na"	45.978436
"1401837"	114.000804	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H+2Na"	46.985712
"1437236"	342.029446	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H+HCOOH"	47.012746
"228754"	323.03894	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+3H2O+2H"	56.04448
"1517911"	356.08149	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+IsoProp+H"	61.06479
"413223"	325.992888	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+Na+K"	61.952376
"781146"	473.501238	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+Na+K"	61.952376
"1678947"	178.484538	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Na+K"	61.952376
"265835"	654.049168	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+ACN+Na"	64.015768
"1234898"	359.032468	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+ACN+Na"	64.015768
"1721598"	359.055993	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+NH4+HCOOH"	64.039293
"1188046"	121.328118	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+3Na"	68.967654
"1658302"	364.011388	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Na+HCOOH"	68.994688
"166257"	666.95244	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+2K-H"	76.91904
"608363"	961.96914	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+2K-H"	76.91904
"1095795"	371.93574	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2K-H"	76.91904
"153339"	333.979858	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"2M+2K"	77.926316
"593266"	481.488208	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"3M+2K"	77.926316
"1080694"	186.471508	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2K"	77.926316
"1111346"	373.950292	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2K+H"	78.933592
"1340078"	374.037907	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+DMSO+H"	79.021207
"1007635"	378.077076	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2ACN+H"	83.060376
"1526730"	379.070708	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+IsoProp+Na+H"	84.054008
"995369"	189.542176	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+2ACN+2H"	84.067652
"1596433"	379.985328	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+K+HCOOH"	84.968628
"1419907"	410.016838	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+H+CF3COOH"	115.000138
"1154570"	210.055451	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+3ACN+2H"	125.094202
"1703028"	427.043385	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+NH4+CF3COOH"	132.026685
"1638679"	431.99878	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+Na+CF3COOH"	136.98208
"1585269"	447.97272	"C01690"	"Diclofenac"	"C14H11Cl2NO2"	"295.0167"	"M+K+CF3COOH"	152.95602
"809073"	250.0442	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M"	0
"989169"	231.02581	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-H2O-H"	-19.01839
"71943"	165.688857333333	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M-3H"	-3.021828
"512600"	249.036924	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M-3H"	-3.021828
"888215"	82.3407906666667	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-3H"	-3.021828
"11164"	249.036924	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M-2H"	-2.014552
"451818"	374.059024	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M-2H"	-2.014552
"830349"	124.014824	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-2H"	-2.014552
"85238"	499.081124	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M-H"	-1.007276
"525892"	749.125324	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M-H"	-1.007276
"903694"	249.036924	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-H"	-1.007276
"48104"	516.107671	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M-2H+NH4"	16.019271
"488516"	766.151871	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M-2H+NH4"	16.019271
"866806"	266.063471	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-2H+NH4"	16.019271
"42241"	521.063066	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M-2H+Na"	20.974666
"485981"	771.107266	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M-2H+Na"	20.974666
"862892"	271.018866	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-2H+Na"	20.974666
"1632058"	271.018866	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Na-2H"	20.974666
"109084"	267.025263	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M-H+Cl"	33.962126
"549249"	392.047363	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M-H+Cl"	33.962126
"937653"	142.003163	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-H+Cl"	33.962126
"279491"	535.057802	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+Cl"	34.969402
"674712"	785.102002	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+Cl"	34.969402
"1287726"	285.013602	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Cl"	34.969402
"30398"	537.037006	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M-2H+K"	36.948606
"470078"	787.081206	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M-2H+K"	36.948606
"845330"	286.992806	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-2H+K"	36.948606
"1567358"	286.992806	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+K-2H"	36.948606
"953420"	295.042394	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-H+HCOOH"	44.998194
"370542"	545.086601	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+HCOOH-H"	44.998201
"352239"	559.102251	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+Hac-H"	59.013851
"1498888"	309.058051	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Hac-H"	59.013851
"965335"	317.024351	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-H+NaCOOH"	66.980151
"122992"	285.013602	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+2Cl"	69.938804
"558177"	410.035702	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+2Cl"	69.938804
"1029162"	159.991502	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2Cl"	69.938804
"1253118"	328.963085	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Br"	78.918885
"1317390"	331.019072	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Cl+HCOOH"	80.974872
"1334768"	353.001029	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Cl+NaCOOH"	102.956829
"926684"	363.029786	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M-H+CF3COOH"	112.985586
"1302660"	399.006464	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Cl+CF3COOH"	148.962264
"1382663"	215.031524	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H-2H2O"	-35.012676
"1391024"	233.0415	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H-H2O"	-17.0027
"292898"	501.095676	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+H"	1.007276
"689696"	751.139876	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+H"	1.007276
"1362764"	251.051476	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H"	1.007276
"136748"	251.051476	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+2H"	2.014552
"576309"	376.073576	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+2H"	2.014552
"1050576"	126.029376	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2H"	2.014552
"211915"	167.703409333333	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+3H"	3.021828
"655848"	251.051476	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+3H"	3.021828
"1169601"	84.3553426666667	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+3H"	3.021828
"430685"	518.122223	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+NH4"	18.033823
"793867"	768.166423	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+NH4"	18.033823
"1682542"	268.078023	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+NH4"	18.033823
"332279"	259.5647495	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+H+NH4"	19.041099
"724700"	384.5868495	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+H+NH4"	19.041099
"1479615"	134.5426495	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H+NH4"	19.041099
"395013"	523.077618	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+Na"	22.989218
"757834"	773.121818	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+Na"	22.989218
"1612499"	273.033418	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Na"	22.989218
"328016"	262.042447	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+H+Na"	23.996494
"718245"	387.064547	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+H+Na"	23.996494
"1475840"	137.020347	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H+Na"	23.996494
"1067140"	91.6826566666667	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2H+Na"	25.00377
"1271368"	283.077686	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+CH3OH+H"	33.033486
"391037"	539.051558	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+K"	38.963158
"752761"	789.095758	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+K"	38.963158
"1552627"	289.007358	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+K"	38.963158
"310165"	270.029417	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+H+K"	39.970434
"706553"	395.051517	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+H+K"	39.970434
"1458590"	145.007317	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H+K"	39.970434
"246098"	542.122226	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+ACN+H"	42.033826
"1215890"	292.078026	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+ACN+H"	42.033826
"1201960"	146.542651	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+ACN+2H"	43.041102
"191914"	545.05956	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+2Na-H"	44.97116
"635849"	795.10376	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+2Na-H"	44.97116
"1141909"	295.01536	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2Na-H"	44.97116
"183012"	273.033418	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+2Na"	45.978436
"622208"	398.055518	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+2Na"	45.978436
"1118788"	148.011318	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2Na"	45.978436
"1401947"	99.0099706666667	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H+2Na"	46.985712
"1438439"	297.056946	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H+HCOOH"	47.012746
"228135"	278.06644	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+3H2O+2H"	56.04448
"1510365"	311.10899	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+IsoProp+H"	61.06479
"412969"	281.020388	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+Na+K"	61.952376
"777976"	406.042488	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+Na+K"	61.952376
"1679787"	155.998288	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Na+K"	61.952376
"264854"	564.104168	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+ACN+Na"	64.015768
"1237926"	314.059968	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+ACN+Na"	64.015768
"1723896"	314.083493	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+NH4+HCOOH"	64.039293
"1187792"	106.337284666667	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+3Na"	68.967654
"1661328"	319.038888	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Na+HCOOH"	68.994688
"168190"	577.00744	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+2K-H"	76.91904
"609201"	827.05164	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+2K-H"	76.91904
"1095540"	326.96324	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2K-H"	76.91904
"153450"	289.007358	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"2M+2K"	77.926316
"594954"	414.029458	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"3M+2K"	77.926316
"1081532"	163.985258	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2K"	77.926316
"1111456"	328.977792	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2K+H"	78.933592
"1341281"	329.065407	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+DMSO+H"	79.021207
"1007987"	333.104576	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2ACN+H"	83.060376
"1526111"	334.098208	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+IsoProp+Na+H"	84.054008
"995479"	167.055926	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+2ACN+2H"	84.067652
"1595450"	335.012828	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+K+HCOOH"	84.968628
"1420017"	365.044338	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+H+CF3COOH"	115.000138
"1154680"	187.569201	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+3ACN+2H"	125.094202
"1703138"	382.070885	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+NH4+CF3COOH"	132.026685
"1638789"	387.02628	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+Na+CF3COOH"	136.98208
"1585379"	403.00022	"C01691"	"Diflunisal"	"C13H8F2O3"	"250.0442"	"M+K+CF3COOH"	152.95602
"803715"	296.0509	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M"	0
"983812"	277.03251	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-H2O-H"	-19.01839
"73146"	196.359990666667	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M-3H"	-3.021828
"512710"	295.043624	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M-3H"	-3.021828
"888325"	97.6763573333333	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-3H"	-3.021828
"6900"	295.043624	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M-2H"	-2.014552
"450836"	443.069074	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M-2H"	-2.014552
"825356"	147.018174	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-2H"	-2.014552
"83161"	591.094524	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M-H"	-1.007276
"522722"	887.145424	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M-H"	-1.007276
"896636"	295.043624	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-H"	-1.007276
"47272"	608.121071	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M-2H+NH4"	16.019271
"487896"	904.171971	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M-2H+NH4"	16.019271
"865943"	312.070171	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-2H+NH4"	16.019271
"39071"	613.076466	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M-2H+Na"	20.974666
"485195"	909.127366	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M-2H+Na"	20.974666
"862636"	317.025566	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-2H+Na"	20.974666
"1631438"	317.025566	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Na-2H"	20.974666
"109887"	313.031963	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M-H+Cl"	33.962126
"549915"	461.057413	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M-H+Cl"	33.962126
"940923"	165.006513	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-H+Cl"	33.962126
"276320"	627.071202	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+Cl"	34.969402
"674940"	923.122102	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+Cl"	34.969402
"1287590"	331.020302	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Cl"	34.969402
"29171"	629.050406	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M-2H+K"	36.948606
"467637"	925.101306	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M-2H+K"	36.948606
"843252"	332.999506	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-2H+K"	36.948606
"1562365"	332.999506	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+K-2H"	36.948606
"951342"	341.049094	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-H+HCOOH"	44.998194
"365184"	637.100001	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+HCOOH-H"	44.998201
"349068"	651.115651	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+Hac-H"	59.013851
"1498997"	355.064751	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Hac-H"	59.013851
"964350"	363.031051	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-H+NaCOOH"	66.980151
"117999"	331.020302	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+2Cl"	69.938804
"559380"	479.045752	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+2Cl"	69.938804
"1024533"	182.994852	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2Cl"	69.938804
"1247759"	374.969785	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Br"	78.918885
"1315312"	377.025772	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Cl+HCOOH"	80.974872
"1329528"	399.007729	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Cl+NaCOOH"	102.956829
"924599"	409.036486	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M-H+CF3COOH"	112.985586
"1300579"	445.013164	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Cl+CF3COOH"	148.962264
"1378011"	261.038224	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H-2H2O"	-35.012676
"1383844"	279.0482	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H-H2O"	-17.0027
"286809"	593.109076	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+H"	1.007276
"686526"	889.159976	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+H"	1.007276
"1358501"	297.058176	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H"	1.007276
"135764"	297.058176	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+2H"	2.014552
"577512"	445.083626	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+2H"	2.014552
"1047405"	149.032726	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2H"	2.014552
"213118"	198.374542666667	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+3H"	3.021828
"652678"	297.058176	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+3H"	3.021828
"1166430"	99.6909093333334	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+3H"	3.021828
"427515"	610.135623	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+NH4"	18.033823
"788874"	906.186523	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+NH4"	18.033823
"1681556"	314.084723	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+NH4"	18.033823
"329978"	305.5714495	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+H+NH4"	19.041099
"722848"	453.5968995	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+H+NH4"	19.041099
"1477032"	157.5459995	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H+NH4"	19.041099
"392836"	615.091018	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+Na"	22.989218
"756120"	911.141918	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+Na"	22.989218
"1607502"	319.040118	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Na"	22.989218
"328122"	308.049147	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+H+Na"	23.996494
"719449"	456.074597	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+H+Na"	23.996494
"1476432"	160.023697	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H+Na"	23.996494
"1067248"	107.018223333333	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2H+Na"	25.00377
"1272531"	329.084386	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+CH3OH+H"	33.033486
"392241"	631.064958	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+K"	38.963158
"752509"	927.115858	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+K"	38.963158
"1552009"	335.014058	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+K"	38.963158
"313555"	316.036117	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+H+K"	39.970434
"704880"	464.061567	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+H+K"	39.970434
"1453232"	168.010667	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H+K"	39.970434
"246208"	634.135626	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+ACN+H"	42.033826
"1216728"	338.084726	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+ACN+H"	42.033826
"1202070"	169.546001	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+ACN+2H"	43.041102
"192024"	637.07296	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+2Na-H"	44.97116
"633407"	933.12386	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+2Na-H"	44.97116
"1139466"	341.02206	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2Na-H"	44.97116
"184215"	319.040118	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+2Na"	45.978436
"617214"	467.065568	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+2Na"	45.978436
"1120720"	171.014668	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2Na"	45.978436
"1401328"	114.345537333333	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H+2Na"	46.985712
"1438549"	343.063646	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H+HCOOH"	47.012746
"229338"	324.07314	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+3H2O+2H"	56.04448
"1512297"	357.11569	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+IsoProp+H"	61.06479
"413808"	327.027088	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+Na+K"	61.952376
"773711"	475.052538	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+Na+K"	61.952376
"1678798"	179.001638	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Na+K"	61.952376
"266748"	656.117568	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+ACN+Na"	64.015768
"1240223"	360.066668	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+ACN+Na"	64.015768
"1727287"	360.090193	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+NH4+HCOOH"	64.039293
"1190454"	121.672851333333	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+3Na"	68.967654
"1662168"	365.045588	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Na+HCOOH"	68.994688
"170850"	669.02084	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+2K-H"	76.91904
"609675"	965.07174	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+2K-H"	76.91904
"1098565"	372.96994	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2K-H"	76.91904
"155381"	335.014058	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"2M+2K"	77.926316
"594941"	483.039508	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"3M+2K"	77.926316
"1082367"	186.988608	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2K"	77.926316
"1109379"	374.984492	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2K+H"	78.933592
"1340297"	375.072107	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+DMSO+H"	79.021207
"1007854"	379.111276	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2ACN+H"	83.060376
"1526221"	380.104908	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+IsoProp+Na+H"	84.054008
"995589"	190.059276	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+2ACN+2H"	84.067652
"1596653"	381.019528	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+K+HCOOH"	84.968628
"1419032"	411.051038	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+H+CF3COOH"	115.000138
"1154790"	210.572551	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+3ACN+2H"	125.094202
"1704343"	428.077585	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+NH4+CF3COOH"	132.026685
"1641087"	433.03298	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+Na+CF3COOH"	136.98208
"1585489"	449.00692	"C01692"	"Disulfiram;Tetraethylthiuram disulfide"	"C10H20N2S4"	"296.0509"	"M+K+CF3COOH"	152.95602
"809293"	193.0375	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M"	0
"986109"	174.01911	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-H2O-H"	-19.01839
"73257"	127.684390666667	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M-3H"	-3.021828
"509541"	192.030224	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M-3H"	-3.021828
"884062"	63.3385573333333	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-3H"	-3.021828
"4824"	192.030224	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M-2H"	-2.014552
"445479"	288.548974	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M-2H"	-2.014552
"825466"	95.511474	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-2H"	-2.014552
"80354"	385.067724	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M-H"	-1.007276
"520157"	578.105224	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M-H"	-1.007276
"895770"	192.030224	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-H"	-1.007276
"47296"	402.094271	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M-2H+NH4"	16.019271
"487641"	595.131771	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M-2H+NH4"	16.019271
"865811"	209.056771	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-2H+NH4"	16.019271
"35899"	407.049666	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M-2H+Na"	20.974666
"484210"	600.087166	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M-2H+Na"	20.974666
"860923"	214.012166	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-2H+Na"	20.974666
"1628266"	214.012166	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Na-2H"	20.974666
"109294"	210.018563	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M-H+Cl"	33.962126
"549463"	306.537313	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M-H+Cl"	33.962126
"936779"	113.499813	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-H+Cl"	33.962126
"278251"	421.044402	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+Cl"	34.969402
"673225"	614.081902	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+Cl"	34.969402
"1287333"	228.006902	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Cl"	34.969402
"27091"	423.023606	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M-2H+K"	36.948606
"466653"	616.061106	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M-2H+K"	36.948606
"837894"	229.986106	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-2H+K"	36.948606
"1562474"	229.986106	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+K-2H"	36.948606
"947079"	238.035694	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-H+HCOOH"	44.998194
"365294"	431.073201	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+HCOOH-H"	44.998201
"350271"	445.088851	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+Hac-H"	59.013851
"1498014"	252.051351	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Hac-H"	59.013851
"964460"	260.017651	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-H+NaCOOH"	66.980151
"116649"	228.006902	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+2Cl"	69.938804
"554386"	324.525652	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+2Cl"	69.938804
"1025008"	131.488152	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2Cl"	69.938804
"1245677"	271.956385	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Br"	78.918885
"1307034"	274.012372	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Cl+HCOOH"	80.974872
"1330000"	295.994329	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Cl+NaCOOH"	102.956829
"924709"	306.023086	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M-H+CF3COOH"	112.985586
"1299596"	341.999764	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Cl+CF3COOH"	148.962264
"1380308"	158.024824	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H-2H2O"	-35.012676
"1384683"	176.0348	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H-H2O"	-17.0027
"284733"	387.082276	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+H"	1.007276
"683356"	580.119776	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+H"	1.007276
"1365173"	194.044776	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H"	1.007276
"138061"	194.044776	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+2H"	2.014552
"577623"	290.563526	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+2H"	2.014552
"1047515"	97.526026	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2H"	2.014552
"213227"	129.698942666667	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+3H"	3.021828
"653881"	194.044776	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+3H"	3.021828
"1167998"	65.3531093333333	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+3H"	3.021828
"426530"	404.108823	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+NH4"	18.033823
"789713"	597.146323	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+NH4"	18.033823
"1681706"	211.071323	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+NH4"	18.033823
"330265"	202.5580495	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+H+NH4"	19.041099
"723378"	299.0767995	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+H+NH4"	19.041099
"1477402"	106.0392995	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H+NH4"	19.041099
"393773"	409.064218	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+Na"	22.989218
"756230"	602.101718	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+Na"	22.989218
"1606884"	216.026718	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Na"	22.989218
"327504"	205.035747	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+H+Na"	23.996494
"719195"	301.554497	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+H+Na"	23.996494
"1475570"	108.516997	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H+Na"	23.996494
"1067358"	72.6804233333333	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2H+Na"	25.00377
"1271952"	226.070986	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+CH3OH+H"	33.033486
"392350"	425.038158	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+K"	38.963158
"753346"	618.075658	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+K"	38.963158
"1554670"	232.000658	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+K"	38.963158
"314032"	213.022717	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+H+K"	39.970434
"706813"	309.541467	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+H+K"	39.970434
"1455529"	116.503967	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H+K"	39.970434
"245224"	428.108826	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+ACN+H"	42.033826
"1220850"	235.071326	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+ACN+H"	42.033826
"1201086"	118.039301	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+ACN+2H"	43.041102
"193957"	431.04616	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+2Na-H"	44.97116
"631331"	624.08366	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+2Na-H"	44.97116
"1132160"	238.00866	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2Na-H"	44.97116
"180679"	216.026718	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+2Na"	45.978436
"621698"	312.545468	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+2Na"	45.978436
"1120830"	119.507968	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2Na"	45.978436
"1403990"	80.0077373333333	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H+2Na"	46.985712
"1433919"	240.050246	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H+HCOOH"	47.012746
"226168"	221.05974	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+3H2O+2H"	56.04448
"1510219"	254.10229	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+IsoProp+H"	61.06479
"412824"	224.013688	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+Na+K"	61.952376
"773821"	320.532438	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+Na+K"	61.952376
"1679880"	127.494938	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Na+K"	61.952376
"266408"	450.090768	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+ACN+Na"	64.015768
"1240939"	257.053268	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+ACN+Na"	64.015768
"1727758"	257.076793	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+NH4+HCOOH"	64.039293
"1191656"	87.3350513333333	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+3Na"	68.967654
"1664463"	262.032188	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Na+HCOOH"	68.994688
"169866"	462.99404	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+2K-H"	76.91904
"610152"	656.03154	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+2K-H"	76.91904
"1094298"	269.95654	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2K-H"	76.91904
"155492"	232.000658	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"2M+2K"	77.926316
"593228"	328.519408	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"3M+2K"	77.926316
"1079562"	135.481908	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2K"	77.926316
"1111313"	271.971092	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2K+H"	78.933592
"1337127"	272.058707	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+DMSO+H"	79.021207
"1006142"	276.097876	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2ACN+H"	83.060376
"1524874"	277.091508	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+IsoProp+Na+H"	84.054008
"992417"	138.552576	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+2ACN+2H"	84.067652
"1595670"	278.006128	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+K+HCOOH"	84.968628
"1419142"	308.037638	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+H+CF3COOH"	115.000138
"1153807"	159.065851	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+3ACN+2H"	125.094202
"1706640"	325.064185	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+NH4+CF3COOH"	132.026685
"1641197"	330.01958	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+Na+CF3COOH"	136.98208
"1585599"	345.99352	"C01693"	"L-Dopachrome;2-L-Carboxy-23-dihydroindole-56-quinone"	"C9H7NO4"	"193.0375"	"M+K+CF3COOH"	152.95602
"802842"	396.3392	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M"	0
"982939"	377.32081	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-H2O-H"	-19.01839
"66806"	263.218857333333	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M-3H"	-3.021828
"509650"	395.331924	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M-3H"	-3.021828
"890732"	131.105790666667	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-3H"	-3.021828
"4934"	395.331924	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M-2H"	-2.014552
"445589"	593.501524	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M-2H"	-2.014552
"823390"	197.162324	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-2H"	-2.014552
"80464"	791.671124	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M-H"	-1.007276
"519658"	1188.010324	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M-H"	-1.007276
"895960"	395.331924	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-H"	-1.007276
"47811"	808.697671	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M-2H+NH4"	16.019271
"487872"	1205.036871	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M-2H+NH4"	16.019271
"865192"	412.358471	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-2H+NH4"	16.019271
"34916"	813.653066	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M-2H+Na"	20.974666
"483227"	1209.992266	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M-2H+Na"	20.974666
"862371"	417.313866	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-2H+Na"	20.974666
"1629470"	417.313866	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Na-2H"	20.974666
"109735"	413.320263	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M-H+Cl"	33.962126
"549088"	611.489863	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M-H+Cl"	33.962126
"936889"	215.150663	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-H+Cl"	33.962126
"279819"	827.647802	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+Cl"	34.969402
"673094"	1223.987002	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+Cl"	34.969402
"1286592"	431.308602	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Cl"	34.969402
"25014"	829.627006	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M-2H+K"	36.948606
"467856"	1225.966206	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M-2H+K"	36.948606
"836911"	433.287806	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-2H+K"	36.948606
"1562584"	433.287806	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+K-2H"	36.948606
"950469"	441.337394	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-H+HCOOH"	44.998194
"367591"	837.676601	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+HCOOH-H"	44.998201
"347101"	851.692251	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+Hac-H"	59.013851
"1498124"	455.353051	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Hac-H"	59.013851
"961291"	463.319351	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-H+NaCOOH"	66.980151
"116759"	431.308602	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+2Cl"	69.938804
"553039"	629.478202	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+2Cl"	69.938804
"1025119"	233.139002	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2Cl"	69.938804
"1244330"	475.258085	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Br"	78.918885
"1306053"	477.314072	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Cl+HCOOH"	80.974872
"1326830"	499.296029	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Cl+NaCOOH"	102.956829
"926642"	509.324786	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M-H+CF3COOH"	112.985586
"1302986"	545.301464	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Cl+CF3COOH"	148.962264
"1380783"	361.326524	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H-2H2O"	-35.012676
"1389168"	379.3365	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H-H2O"	-17.0027
"288853"	793.685676	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+H"	1.007276
"687839"	1190.024876	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+H"	1.007276
"1359814"	397.346476	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H"	1.007276
"133796"	397.346476	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+2H"	2.014552
"572264"	595.516076	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+2H"	2.014552
"1047625"	199.176876	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2H"	2.014552
"213338"	265.233409333333	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+3H"	3.021828
"656178"	397.346476	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+3H"	3.021828
"1171026"	133.120342666667	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+3H"	3.021828
"427007"	810.712223	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+NH4"	18.033823
"792010"	1207.051423	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+NH4"	18.033823
"1682873"	414.373023	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+NH4"	18.033823
"330068"	405.8597495	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+H+NH4"	19.041099
"723935"	604.0293495	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+H+NH4"	19.041099
"1478124"	207.6901495	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H+NH4"	19.041099
"393522"	815.667618	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+Na"	22.989218
"758528"	1212.006818	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+Na"	22.989218
"1605167"	419.328418	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Na"	22.989218
"327981"	408.337447	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+H+Na"	23.996494
"719306"	606.507047	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+H+Na"	23.996494
"1472762"	210.167847	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H+Na"	23.996494
"1063091"	140.447656666667	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2H+Na"	25.00377
"1270480"	429.372686	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+CH3OH+H"	33.033486
"390638"	831.641558	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+K"	38.963158
"752603"	1227.980758	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+K"	38.963158
"1553316"	435.302358	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+K"	38.963158
"309398"	416.324417	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+H+K"	39.970434
"698536"	614.494017	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+H+K"	39.970434
"1451262"	218.154817	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H+K"	39.970434
"243146"	834.712226	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+ACN+H"	42.033826
"1221324"	438.373026	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+ACN+H"	42.033826
"1201927"	219.690151	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+ACN+2H"	43.041102
"194067"	837.64956	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+2Na-H"	44.97116
"639826"	1233.98876	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+2Na-H"	44.97116
"1135311"	441.31036	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2Na-H"	44.97116
"179696"	419.328418	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+2Na"	45.978436
"616340"	617.498018	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+2Na"	45.978436
"1120940"	221.158818	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2Na"	45.978436
"1401183"	147.774970666667	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H+2Na"	46.985712
"1435487"	443.351946	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H+HCOOH"	47.012746
"229557"	424.36144	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+3H2O+2H"	56.04448
"1515797"	457.40399	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+IsoProp+H"	61.06479
"411841"	427.315388	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+Na+K"	61.952376
"775024"	625.484988	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+Na+K"	61.952376
"1679749"	229.145788	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Na+K"	61.952376
"263359"	856.694168	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+ACN+Na"	64.015768
"1239712"	460.354968	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+ACN+Na"	64.015768
"1724589"	460.378493	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+NH4+HCOOH"	64.039293
"1189212"	155.102284666667	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+3Na"	68.967654
"1662021"	465.333888	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Na+HCOOH"	68.994688
"168154"	869.59744	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+2K-H"	76.91904
"608808"	1265.93664	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+2K-H"	76.91904
"1098418"	473.25824	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2K-H"	76.91904
"155238"	435.302358	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"2M+2K"	77.926316
"594432"	633.471958	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"3M+2K"	77.926316
"1078578"	237.132758	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2K"	77.926316
"1107415"	475.272792	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2K+H"	78.933592
"1343796"	475.360407	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+DMSO+H"	79.021207
"1012326"	479.399576	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2ACN+H"	83.060376
"1532637"	480.393208	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+IsoProp+Na+H"	84.054008
"997993"	240.203426	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+2ACN+2H"	84.067652
"1590310"	481.307828	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+K+HCOOH"	84.968628
"1423624"	511.339338	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+H+CF3COOH"	115.000138
"1158285"	260.716701	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+3ACN+2H"	125.094202
"1700185"	528.365885	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+NH4+CF3COOH"	132.026685
"1635110"	533.32128	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+Na+CF3COOH"	136.98208
"1585709"	549.29522	"C01694"	"Ergosterol;Provitamin D2"	"C28H44O"	"396.3392"	"M+K+CF3COOH"	152.95602
"802953"	182.079	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M"	0
"975392"	163.06061	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-H2O-H"	-19.01839
"65823"	120.378724	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M-3H"	-3.021828
"506477"	181.071724	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M-3H"	-3.021828
"883185"	59.685724	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-3H"	-3.021828
"8324"	181.071724	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M-2H"	-2.014552
"451167"	272.111224	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M-2H"	-2.014552
"823500"	90.032224	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-2H"	-2.014552
"82762"	363.150724	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M-H"	-1.007276
"519770"	545.229724	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M-H"	-1.007276
"896716"	181.071724	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-H"	-1.007276
"48419"	380.177271	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M-2H+NH4"	16.019271
"487858"	562.256271	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M-2H+NH4"	16.019271
"869312"	198.098271	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-2H+NH4"	16.019271
"32838"	385.132666	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M-2H+Na"	20.974666
"476772"	567.211666	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M-2H+Na"	20.974666
"862233"	203.053666	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-2H+Na"	20.974666
"1632861"	203.053666	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Na-2H"	20.974666
"107932"	199.060063	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M-H+Cl"	33.962126
"547127"	290.099563	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M-H+Cl"	33.962126
"939914"	108.020563	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-H+Cl"	33.962126
"282371"	399.127402	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+Cl"	34.969402
"669077"	581.206402	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+Cl"	34.969402
"1283664"	217.048402	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Cl"	34.969402
"27314"	401.106606	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M-2H+K"	36.948606
"465779"	583.185606	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M-2H+K"	36.948606
"840301"	219.027606	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-2H+K"	36.948606
"1562694"	219.027606	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+K-2H"	36.948606
"948391"	227.077194	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-H+HCOOH"	44.998194
"365514"	409.156201	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+HCOOH-H"	44.998201
"348304"	423.171851	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+Hac-H"	59.013851
"1494947"	241.092851	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Hac-H"	59.013851
"966869"	249.059151	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-H+NaCOOH"	66.980151
"115777"	217.048402	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+2Cl"	69.938804
"558617"	308.087902	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+2Cl"	69.938804
"1026322"	126.008902	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2Cl"	69.938804
"1245168"	260.997885	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Br"	78.918885
"1309443"	263.053872	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Cl+HCOOH"	80.974872
"1326940"	285.035829	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Cl+NaCOOH"	102.956829
"924565"	295.064586	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M-H+CF3COOH"	112.985586
"1301272"	331.041264	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Cl+CF3COOH"	148.962264
"1380529"	147.066324	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H-2H2O"	-35.012676
"1389276"	165.0763	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H-H2O"	-17.0027
"290055"	365.165276	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+H"	1.007276
"681387"	547.244276	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+H"	1.007276
"1358831"	183.086276	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H"	1.007276
"133906"	183.086276	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+2H"	2.014552
"572374"	274.125776	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+2H"	2.014552
"1047734"	92.046776	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2H"	2.014552
"211261"	122.393276	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+3H"	3.021828
"653008"	183.086276	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+3H"	3.021828
"1168948"	61.700276	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+3H"	3.021828
"431127"	382.191823	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+NH4"	18.033823
"788110"	564.270823	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+NH4"	18.033823
"1683713"	200.112823	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+NH4"	18.033823
"333449"	191.5995495	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+H+NH4"	19.041099
"723437"	282.6390495	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+H+NH4"	19.041099
"1480785"	100.5600495	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H+NH4"	19.041099
"394725"	387.147218	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+Na"	22.989218
"757549"	569.226218	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+Na"	22.989218
"1615870"	205.068218	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Na"	22.989218
"326265"	194.077247	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+H+Na"	23.996494
"720144"	285.116747	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+H+Na"	23.996494
"1475420"	103.037747	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H+Na"	23.996494
"1065027"	69.02759	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2H+Na"	25.00377
"1269614"	215.112486	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+CH3OH+H"	33.033486
"389655"	403.121158	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+K"	38.963158
"753201"	585.200158	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+K"	38.963158
"1553062"	221.042158	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+K"	38.963158
"309508"	202.064217	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+H+K"	39.970434
"698647"	293.103717	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+H+K"	39.970434
"1451372"	111.024717	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H+K"	39.970434
"241068"	406.191826	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+ACN+H"	42.033826
"1219247"	224.112826	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+ACN+H"	42.033826
"1204223"	112.560051	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+ACN+2H"	43.041102
"201106"	409.12916	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+2Na-H"	44.97116
"639572"	591.20816	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+2Na-H"	44.97116
"1143442"	227.05016	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2Na-H"	44.97116
"181264"	205.068218	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+2Na"	45.978436
"621918"	296.107718	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+2Na"	45.978436
"1122509"	114.028718	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2Na"	45.978436
"1406762"	76.354904	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H+2Na"	46.985712
"1438878"	229.091746	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H+HCOOH"	47.012746
"229666"	210.10124	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+3H2O+2H"	56.04448
"1511898"	243.14379	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+IsoProp+H"	61.06479
"413045"	213.055188	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+Na+K"	61.952376
"777322"	304.094688	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+Na+K"	61.952376
"1680101"	122.015688	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Na+K"	61.952376
"263831"	428.173768	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+ACN+Na"	64.015768
"1239459"	246.094768	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+ACN+Na"	64.015768
"1724334"	246.118293	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+NH4+HCOOH"	64.039293
"1188960"	83.682218	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+3Na"	68.967654
"1662496"	251.073688	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Na+HCOOH"	68.994688
"170086"	441.07704	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+2K-H"	76.91904
"609279"	623.15604	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+2K-H"	76.91904
"1094885"	258.99804	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2K-H"	76.91904
"153888"	221.042158	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"2M+2K"	77.926316
"593084"	312.081658	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"3M+2K"	77.926316
"1079784"	130.002658	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2K"	77.926316
"1108618"	261.012592	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2K+H"	78.933592
"1345001"	261.100207	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+DMSO+H"	79.021207
"1009156"	265.139376	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2ACN+H"	83.060376
"1528375"	266.133008	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+IsoProp+Na+H"	84.054008
"992637"	133.073326	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+2ACN+2H"	84.067652
"1587504"	267.047628	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+K+HCOOH"	84.968628
"1420454"	297.079138	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+H+CF3COOH"	115.000138
"1148921"	153.586601	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+3ACN+2H"	125.094202
"1697131"	314.105685	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+NH4+CF3COOH"	132.026685
"1647982"	319.06108	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+Na+CF3COOH"	136.98208
"1582540"	335.03502	"C01697"	"Galactitol;Dulcitol;Dulcose"	"C6H14O6"	"182.079"	"M+K+CF3COOH"	152.95602
"809625"	346.1416	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M"	0
"977691"	327.12321	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"64839"	229.753790666667	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"506587"	345.134324	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"883297"	114.373257333333	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"2237"	345.134324	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"445808"	518.205124	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"817645"	172.063524	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"78975"	691.275924	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"523163"	1037.417524	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"898533"	345.134324	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"48654"	708.302471	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"487359"	1054.444071	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"865399"	362.160871	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"32094"	713.257866	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"483448"	1059.399466	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"857969"	367.116266	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1632606"	367.116266	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"106949"	363.122663	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"547237"	536.193463	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"941482"	190.051863	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"277857"	727.252602	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"665906"	1073.394202	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1280495"	381.111002	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"27423"	729.231806	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"464796"	1075.373406	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"837130"	383.090206	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1557338"	383.090206	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"943880"	391.139794	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"364161"	737.281401	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"349507"	751.297051	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1496152"	405.155451	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"962602"	413.121751	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"118072"	381.111002	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"555446"	554.181802	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1024246"	208.040202	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1241875"	425.060485	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1306273"	427.116472	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1324865"	449.098429	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"922487"	459.127186	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1294821"	495.103864	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1374080"	311.128924	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1384286"	329.1389	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"286888"	693.290476	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"685874"	1039.432076	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1356754"	347.148876	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"128547"	347.148876	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"571389"	520.219676	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1046751"	174.078076	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"215744"	231.768342666667	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"655305"	347.148876	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1173430"	116.387809333333	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"430509"	710.317023	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"790044"	1056.458623	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1682729"	364.175423	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"333195"	355.6621495	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"728168"	528.7329495	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1477613"	182.5913495	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"395202"	715.272418	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"766045"	1061.414018	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1615971"	369.130818	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"328203"	358.139847	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"720981"	531.210647	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1474800"	185.069047	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1066590"	123.715123333333	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1269730"	379.175086	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"391953"	731.246358	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"752947"	1077.387958	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1554763"	385.104758	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"312170"	366.126817	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"698759"	539.197617	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1450392"	193.056017	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"240086"	734.317026	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1220451"	388.175426	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1204333"	194.591351	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"201944"	737.25436	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"638956"	1083.39596	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1143190"	391.11276	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"185024"	369.130818	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"624216"	542.201618	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1124443"	196.060018	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1410154"	131.042437333333	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1444702"	393.154346	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"232693"	374.16384	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1517841"	407.20639	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"418628"	377.117788	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"776706"	550.188588	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1680940"	204.046988	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"264666"	756.298968	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1240419"	410.157368	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1725174"	410.180893	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1190892"	138.369751333333	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1662242"	415.136288	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"169467"	769.20224	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"609757"	1115.34384	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1097549"	423.06064	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"154002"	385.104758	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"594655"	558.175558	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1080988"	212.033958	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1107635"	425.075192	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1346208"	425.162807	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1015830"	429.201976	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1533954"	430.195608	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"1000400"	215.104626	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1592718"	431.110228	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1418378"	461.141738	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1147692"	235.617901	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1711715"	478.168285	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1644814"	483.12368	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1582651"	499.09762	"C01699"	"Gibberellin A3;Gibberellic acid;Gibberellin"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"802077"	655.4156	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M"	0
"976707"	636.39721	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-H2O-H"	-19.01839
"63854"	435.936457333333	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M-3H"	-3.021828
"504507"	654.408324	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M-3H"	-3.021828
"884502"	217.464590666667	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-3H"	-3.021828
"3077"	654.408324	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M-2H"	-2.014552
"440567"	982.116124	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M-2H"	-2.014552
"817635"	326.700524	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-2H"	-2.014552
"79087"	1309.823924	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M-H"	-1.007276
"521085"	1965.239524	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M-H"	-1.007276
"898887"	654.408324	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-H"	-1.007276
"51075"	1326.850471	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M-2H+NH4"	16.019271
"487469"	1982.266071	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M-2H+NH4"	16.019271
"866251"	671.434871	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-2H+NH4"	16.019271
"32325"	1331.805866	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M-2H+Na"	20.974666
"479183"	1987.221466	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M-2H+Na"	20.974666
"854797"	676.390266	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-2H+Na"	20.974666
"1631623"	676.390266	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Na-2H"	20.974666
"109572"	672.396663	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M-H+Cl"	33.962126
"547712"	1000.104463	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M-H+Cl"	33.962126
"941227"	344.688863	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-H+Cl"	33.962126
"280154"	1345.800602	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+Cl"	34.969402
"668204"	2001.216202	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+Cl"	34.969402
"1281700"	690.385002	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Cl"	34.969402
"23160"	1347.779806	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M-2H+K"	36.948606
"464906"	2003.195406	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M-2H+K"	36.948606
"839427"	692.364206	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-2H+K"	36.948606
"1557813"	692.364206	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+K-2H"	36.948606
"944720"	700.413794	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-H+HCOOH"	44.998194
"363907"	1355.829401	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+HCOOH-H"	44.998201
"350711"	1369.845051	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+Hac-H"	59.013851
"1496263"	714.429451	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Hac-H"	59.013851
"963805"	722.395751	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-H+NaCOOH"	66.980151
"114902"	690.385002	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+2Cl"	69.938804
"558836"	1018.092802	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+2Cl"	69.938804
"1024356"	362.677202	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2Cl"	69.938804
"1248307"	734.334485	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Br"	78.918885
"1312944"	736.390472	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Cl+HCOOH"	80.974872
"1326068"	758.372429	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Cl+NaCOOH"	102.956829
"920409"	768.401186	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M-H+CF3COOH"	112.985586
"1294931"	804.377864	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Cl+CF3COOH"	148.962264
"1374190"	620.402924	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H-2H2O"	-35.012676
"1384031"	638.4129	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H-H2O"	-17.0027
"288091"	1311.838476	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+H"	1.007276
"685984"	1967.254076	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+H"	1.007276
"1356864"	656.422876	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H"	1.007276
"129750"	656.422876	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+2H"	2.014552
"570770"	984.130676	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+2H"	2.014552
"1042849"	328.715076	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2H"	2.014552
"213667"	437.951009333333	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+3H"	3.021828
"654322"	656.422876	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+3H"	3.021828
"1168072"	219.479142666667	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+3H"	3.021828
"432441"	1328.865023	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+NH4"	18.033823
"789425"	1984.280623	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+NH4"	18.033823
"1686485"	673.449423	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+NH4"	18.033823
"333669"	664.9361495	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+H+NH4"	19.041099
"727183"	992.6439495	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+H+NH4"	19.041099
"1478817"	337.2283495	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H+NH4"	19.041099
"397500"	1333.820418	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+Na"	22.989218
"765063"	1989.236018	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+Na"	22.989218
"1615717"	678.404818	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Na"	22.989218
"328676"	667.413847	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+H+Na"	23.996494
"720727"	995.121647	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+H+Na"	23.996494
"1472724"	339.706047	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H+Na"	23.996494
"1067429"	226.806456666667	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2H+Na"	25.00377
"1271664"	688.449086	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+CH3OH+H"	33.033486
"390605"	1349.794358	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+K"	38.963158
"754208"	2005.209958	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+K"	38.963158
"1555107"	694.378758	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+K"	38.963158
"309728"	675.400817	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+H+K"	39.970434
"698869"	1003.108617	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+H+K"	39.970434
"1450502"	347.693017	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H+K"	39.970434
"242382"	1352.865026	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+ACN+H"	42.033826
"1219468"	697.449426	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+ACN+H"	42.033826
"1204443"	349.228351	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+ACN+2H"	43.041102
"200961"	1355.80236	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+2Na-H"	44.97116
"639430"	2011.21796	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+2Na-H"	44.97116
"1141844"	700.38676	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2Na-H"	44.97116
"184770"	678.404818	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+2Na"	45.978436
"625421"	1006.112618	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+2Na"	45.978436
"1122366"	350.697018	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2Na"	45.978436
"1411358"	234.133770666667	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H+2Na"	46.985712
"1444568"	702.428346	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H+HCOOH"	47.012746
"232439"	683.43784	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+3H2O+2H"	56.04448
"1513577"	716.48039	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+IsoProp+H"	61.06479
"418738"	686.391788	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+Na+K"	61.952376
"779366"	1014.099588	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+Na+K"	61.952376
"1680684"	358.683988	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Na+K"	61.952376
"265870"	1374.846968	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+ACN+Na"	64.015768
"1240044"	719.431368	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+ACN+Na"	64.015768
"1723825"	719.454893	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+NH4+HCOOH"	64.039293
"1192459"	241.461084666667	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+3Na"	68.967654
"1661986"	724.410288	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Na+HCOOH"	68.994688
"170304"	1387.75024	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+2K-H"	76.91904
"610595"	2043.16584	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+2K-H"	76.91904
"1097296"	732.33464	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2K-H"	76.91904
"153383"	694.378758	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"2M+2K"	77.926316
"595980"	1022.086558	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"3M+2K"	77.926316
"1082191"	366.670958	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2K"	77.926316
"1112120"	734.349192	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2K+H"	78.933592
"1347412"	734.436807	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+DMSO+H"	79.021207
"1018492"	738.475976	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2ACN+H"	83.060376
"1535157"	739.469608	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+IsoProp+Na+H"	84.054008
"999417"	369.741626	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+2ACN+2H"	84.067652
"1595015"	740.384228	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+K+HCOOH"	84.968628
"1418488"	770.415738	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+H+CF3COOH"	115.000138
"1147680"	390.254901	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+3ACN+2H"	125.094202
"1711461"	787.442285	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+NH4+CF3COOH"	132.026685
"1647113"	792.39768	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+Na+CF3COOH"	136.98208
"1582761"	808.37162	"C01700"	"Globomycin"	"C32H57N5O9"	"655.4156"	"M+K+CF3COOH"	152.95602
"802918"	338.1154	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M"	0
"976812"	319.09701	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"63839"	224.402990666667	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"504251"	337.108124	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"886798"	111.697857333333	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"4279"	337.108124	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"444204"	506.165824	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"817628"	168.050424	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"78996"	675.223524	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"521195"	1013.338924	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"901548"	337.108124	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"53372"	692.250071	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"494026"	1030.365471	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"872922"	354.134671	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"40823"	697.205466	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"479294"	1035.320866	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"861834"	359.090066	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1630641"	359.090066	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"105345"	355.096463	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"547823"	524.154163	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"936234"	186.038763	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"281357"	711.200202	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"667219"	1049.315602	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1280716"	373.084802	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"22177"	713.179406	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"467203"	1051.294806	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"841724"	375.064006	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1563025"	375.064006	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"945435"	383.113594	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"362925"	721.229001	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"350821"	735.244651	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1496373"	397.129251	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"961729"	405.095551	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"113918"	373.084802	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"558946"	542.142502	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1024466"	204.027102	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1248417"	417.034285	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1314148"	419.090272	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1323992"	441.072229	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"920519"	451.100986	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1295041"	487.077664	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1377580"	303.102724	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1384141"	321.1127	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"288201"	677.238076	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"682810"	1015.353476	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1363532"	339.122676	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"128768"	339.122676	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"570515"	508.180376	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1041866"	170.064976	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"208674"	226.417542666667	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"651151"	339.122676	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1168182"	113.712409333333	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"428176"	694.264623	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"787710"	1032.380023	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1681854"	356.149223	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"333051"	347.6359495	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"723647"	516.6936495	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1479291"	178.5782495	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"396879"	699.220018	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"766266"	1037.335418	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1615462"	361.104618	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"328056"	350.113647	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"720108"	519.171347	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1472834"	181.055947	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1066080"	121.039723333333	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1271406"	371.148886	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"391685"	715.193958	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"753612"	1053.309358	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1554610"	377.078558	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"309838"	358.100617	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"701166"	527.158317	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1449518"	189.042917	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"241399"	718.264626	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1221400"	380.149226	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1204553"	190.578251	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"200707"	721.20196	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"639174"	1059.31736	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1142317"	383.08656	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"183422"	361.104618	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"626991"	530.162318	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1126851"	192.046918	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1410740"	128.367037333333	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1444680"	385.128146	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"232915"	366.13764	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1513687"	399.18019	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"418848"	369.091588	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"779476"	538.149288	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1680998"	200.033888	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"267091"	740.246568	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1240151"	402.131168	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1726975"	402.154693	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1191478"	135.694351333333	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1664527"	407.110088	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"171632"	753.14984	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"611069"	1091.26524	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1097772"	415.03444	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"155681"	377.078558	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"595848"	546.136258	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1080476"	208.020858	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1112596"	417.048992	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1348616"	417.136607	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1019332"	421.175776	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1527613"	422.169408	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"996248"	211.091526	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1596218"	423.084028	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1424064"	453.115538	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1152166"	231.604801	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1710478"	470.142085	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1649045"	475.09748	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1582871"	491.07142	"C01701"	"(-)-Glyceollin I;Glyceollin"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"803395"	169.014	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M"	0
"979115"	149.99561	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-H2O-H"	-19.01839
"65169"	111.668724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M-3H"	-3.021828
"506921"	168.006724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M-3H"	-3.021828
"882534"	55.330724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-3H"	-3.021828
"177"	168.006724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M-2H"	-2.014552
"439994"	252.513724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M-2H"	-2.014552
"817104"	83.499724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-2H"	-2.014552
"86121"	337.020724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M-H"	-1.007276
"521307"	506.034724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M-H"	-1.007276
"899108"	168.006724	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-H"	-1.007276
"50202"	354.047271	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M-2H+NH4"	16.019271
"494138"	523.061271	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M-2H+NH4"	16.019271
"869752"	185.033271	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-2H+NH4"	16.019271
"43126"	359.002666	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M-2H+Na"	20.974666
"485237"	528.016666	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M-2H+Na"	20.974666
"857206"	189.988666	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-2H+Na"	20.974666
"1631479"	189.988666	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Na-2H"	20.974666
"102175"	185.995063	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M-H+Cl"	33.962126
"542829"	270.502063	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M-H+Cl"	33.962126
"939268"	101.488063	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-H+Cl"	33.962126
"276001"	372.997402	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+Cl"	34.969402
"666235"	542.011402	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+Cl"	34.969402
"1281916"	203.983402	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Cl"	34.969402
"21191"	374.976606	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M-2H+K"	36.948606
"461845"	543.990606	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M-2H+K"	36.948606
"838553"	205.962606	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-2H+K"	36.948606
"1560953"	205.962606	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+K-2H"	36.948606
"946647"	214.012194	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-H+HCOOH"	44.998194
"363039"	383.026201	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+HCOOH-H"	44.998201
"348744"	397.041851	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+Hac-H"	59.013851
"1495392"	228.027851	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Hac-H"	59.013851
"961839"	235.994151	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-H+NaCOOH"	66.980151
"118403"	203.983402	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+2Cl"	69.938804
"553589"	288.490402	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+2Cl"	69.938804
"1023482"	119.476402	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2Cl"	69.938804
"1243421"	247.932885	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Br"	78.918885
"1314262"	249.988872	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Cl+HCOOH"	80.974872
"1322279"	271.970829	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Cl+NaCOOH"	102.956829
"917350"	281.999586	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M-H+CF3COOH"	112.985586
"1299533"	317.976264	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Cl+CF3COOH"	148.962264
"1376598"	134.001324	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H-2H2O"	-35.012676
"1390814"	152.0113	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H-H2O"	-17.0027
"288313"	339.035276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+H"	1.007276
"678545"	508.049276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+H"	1.007276
"1357082"	170.021276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H"	1.007276
"128151"	170.021276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+2H"	2.014552
"568438"	254.528276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+2H"	2.014552
"1044895"	85.514276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2H"	2.014552
"209513"	113.683276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+3H"	3.021828
"648343"	170.021276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+3H"	3.021828
"1166107"	57.345276	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+3H"	3.021828
"426462"	356.061823	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+NH4"	18.033823
"785665"	525.075823	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+NH4"	18.033823
"1683426"	187.047823	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+NH4"	18.033823
"330117"	178.5345495	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+H+NH4"	19.041099
"725221"	263.0415495	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+H+NH4"	19.041099
"1481226"	94.0275495	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H+NH4"	19.041099
"408389"	361.017218	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+Na"	22.989218
"767475"	530.031218	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+Na"	22.989218
"1616307"	192.003218	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Na"	22.989218
"327073"	181.012247	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+H+Na"	23.996494
"719125"	265.519247	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+H+Na"	23.996494
"1473675"	96.505247	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H+Na"	23.996494
"1065098"	64.67259	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2H+Na"	25.00377
"1268967"	202.047486	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+CH3OH+H"	33.033486
"391188"	376.991158	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+K"	38.963158
"753276"	546.005158	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+K"	38.963158
"1553506"	207.977158	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+K"	38.963158
"308855"	188.999217	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+H+K"	39.970434
"702006"	273.506217	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+H+K"	39.970434
"1449628"	104.492217	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H+K"	39.970434
"248803"	380.061826	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+ACN+H"	42.033826
"1220417"	211.047826	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+ACN+H"	42.033826
"1208679"	106.027551	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+ACN+2H"	43.041102
"195352"	382.99916	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+2Na-H"	44.97116
"630539"	552.01316	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+2Na-H"	44.97116
"1140604"	213.98516	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2Na-H"	44.97116
"184986"	192.003218	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+2Na"	45.978436
"621267"	276.510218	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+2Na"	45.978436
"1125866"	107.496218	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2Na"	45.978436
"1411576"	71.999904	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H+2Na"	46.985712
"1441506"	216.026746	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H+HCOOH"	47.012746
"223547"	197.03624	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+3H2O+2H"	56.04448
"1522920"	230.07879	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+IsoProp+H"	61.06479
"417865"	199.990188	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+Na+K"	61.952376
"785506"	284.497188	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+Na+K"	61.952376
"1679568"	115.483188	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Na+K"	61.952376
"266456"	402.043768	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+ACN+Na"	64.015768
"1240260"	233.029768	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+ACN+Na"	64.015768
"1727326"	233.053293	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+NH4+HCOOH"	64.039293
"1192681"	79.327218	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+3Na"	68.967654
"1663666"	238.008688	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Na+HCOOH"	68.994688
"170889"	414.94704	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+2K-H"	76.91904
"608259"	583.96104	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+2K-H"	76.91904
"1098241"	245.93304	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2K-H"	76.91904
"153963"	207.977158	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"2M+2K"	77.926316
"595713"	292.484158	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"3M+2K"	77.926316
"1081683"	123.470158	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2K"	77.926316
"1113800"	247.947592	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2K+H"	78.933592
"1348726"	248.035207	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+DMSO+H"	79.021207
"1018349"	252.074376	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2ACN+H"	83.060376
"1536107"	253.068008	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+IsoProp+Na+H"	84.054008
"996359"	126.540826	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+2ACN+2H"	84.067652
"1590861"	253.982628	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+K+HCOOH"	84.968628
"1415669"	284.014138	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+H+CF3COOH"	115.000138
"1161767"	147.054101	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+3ACN+2H"	125.094202
"1709494"	301.040685	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+NH4+CF3COOH"	132.026685
"1645145"	305.99608	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+Na+CF3COOH"	136.98208
"1582982"	321.97002	"C01705"	"Glyphosate;Roundup (TN)"	"C3H8NO5P"	"169.014"	"M+K+CF3COOH"	152.95602
"807881"	302.079	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M"	0
"985790"	283.06061	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-H2O-H"	-19.01839
"75126"	200.378724	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M-3H"	-3.021828
"510313"	301.071724	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M-3H"	-3.021828
"883011"	99.685724	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-3H"	-3.021828
"4502"	301.071724	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M-2H"	-2.014552
"454521"	452.111224	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M-2H"	-2.014552
"832567"	150.032224	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-2H"	-2.014552
"89513"	603.150724	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M-H"	-1.007276
"523605"	905.229724	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M-H"	-1.007276
"904688"	301.071724	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-H"	-1.007276
"62659"	620.177271	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M-2H+NH4"	16.019271
"502276"	922.256271	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M-2H+NH4"	16.019271
"879681"	318.098271	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-2H+NH4"	16.019271
"46405"	625.132666	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M-2H+Na"	20.974666
"486207"	927.211666	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M-2H+Na"	20.974666
"863765"	323.053666	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-2H+Na"	20.974666
"1630140"	323.053666	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Na-2H"	20.974666
"104481"	319.060063	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M-H+Cl"	33.962126
"546227"	470.099563	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M-H+Cl"	33.962126
"936462"	168.020563	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-H+Cl"	33.962126
"277205"	639.127402	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+Cl"	34.969402
"665251"	941.206402	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+Cl"	34.969402
"1276563"	337.048402	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Cl"	34.969402
"28963"	641.106606	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M-2H+K"	36.948606
"469985"	943.185606	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M-2H+K"	36.948606
"844139"	339.027606	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-2H+K"	36.948606
"1563252"	339.027606	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+K-2H"	36.948606
"947854"	347.077194	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-H+HCOOH"	44.998194
"364245"	649.156201	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+HCOOH-H"	44.998201
"346307"	663.171851	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+Hac-H"	59.013851
"1496597"	361.092851	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Hac-H"	59.013851
"959035"	369.059151	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-H+NaCOOH"	66.980151
"111223"	337.048402	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+2Cl"	69.938804
"550543"	488.087902	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+2Cl"	69.938804
"1031255"	186.008902	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2Cl"	69.938804
"1248646"	380.997885	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Br"	78.918885
"1312190"	383.053872	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Cl+HCOOH"	80.974872
"1320937"	405.035829	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Cl+NaCOOH"	102.956829
"925487"	415.064586	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M-H+CF3COOH"	112.985586
"1301829"	451.041264	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Cl+CF3COOH"	148.962264
"1380720"	267.066324	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H-2H2O"	-35.012676
"1396643"	285.0763	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H-H2O"	-17.0027
"291707"	605.165276	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+H"	1.007276
"690571"	907.244276	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+H"	1.007276
"1363759"	303.086276	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H"	1.007276
"137742"	303.086276	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+2H"	2.014552
"578395"	454.125776	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+2H"	2.014552
"1046101"	152.046776	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2H"	2.014552
"208535"	202.393276	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+3H"	3.021828
"644810"	303.086276	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+3H"	3.021828
"1163668"	101.700276	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+3H"	3.021828
"426941"	622.191823	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+NH4"	18.033823
"799973"	924.270823	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+NH4"	18.033823
"1690104"	320.112823	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+NH4"	18.033823
"342036"	311.5995495	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+H+NH4"	19.041099
"734820"	462.6390495	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+H+NH4"	19.041099
"1490100"	160.5600495	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H+NH4"	19.041099
"403311"	627.147218	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+Na"	22.989218
"766493"	929.226218	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+Na"	22.989218
"1612405"	325.068218	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Na"	22.989218
"327181"	314.077247	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+H+Na"	23.996494
"717049"	465.116747	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+H+Na"	23.996494
"1471600"	163.037747	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H+Na"	23.996494
"1064843"	109.02759	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2H+Na"	25.00377
"1270169"	335.112486	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+CH3OH+H"	33.033486
"391177"	643.121158	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+K"	38.963158
"753632"	945.200158	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+K"	38.963158
"1555488"	341.042158	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+K"	38.963158
"313347"	322.064217	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+H+K"	39.970434
"706498"	473.103717	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+H+K"	39.970434
"1457035"	171.024717	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H+K"	39.970434
"247093"	646.191826	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+ACN+H"	42.033826
"1218707"	344.112826	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+ACN+H"	42.033826
"1199311"	172.560051	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+ACN+2H"	43.041102
"190360"	649.12916	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+2Na-H"	44.97116
"631743"	951.20816	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+2Na-H"	44.97116
"1135248"	347.05016	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2Na-H"	44.97116
"177445"	325.068218	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+2Na"	45.978436
"620286"	476.107718	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+2Na"	45.978436
"1118325"	174.028718	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2Na"	45.978436
"1410969"	116.354904	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H+2Na"	46.985712
"1444185"	349.091746	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H+HCOOH"	47.012746
"233150"	330.10124	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+3H2O+2H"	56.04448
"1523690"	363.14379	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+IsoProp+H"	61.06479
"423817"	333.055188	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+Na+K"	61.952376
"782626"	484.094688	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+Na+K"	61.952376
"1678592"	182.015688	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Na+K"	61.952376
"265478"	668.173768	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+ACN+Na"	64.015768
"1237821"	366.094768	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+ACN+Na"	64.015768
"1726831"	366.118293	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+NH4+HCOOH"	64.039293
"1194183"	123.682218	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+3Na"	68.967654
"1663778"	371.073688	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Na+HCOOH"	68.994688
"170639"	681.07704	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+2K-H"	76.91904
"612593"	983.15604	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+2K-H"	76.91904
"1097992"	378.99804	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2K-H"	76.91904
"155536"	341.042158	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"2M+2K"	77.926316
"593274"	492.081658	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"3M+2K"	77.926316
"1078878"	190.002658	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2K"	77.926316
"1112088"	381.012592	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2K+H"	78.933592
"1348104"	381.100207	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+DMSO+H"	79.021207
"1018093"	385.139376	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2ACN+H"	83.060376
"1530020"	386.133008	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+IsoProp+Na+H"	84.054008
"997569"	193.073326	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+2ACN+2H"	84.067652
"1587452"	387.047628	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+K+HCOOH"	84.968628
"1422108"	417.079138	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+H+CF3COOH"	115.000138
"1157866"	213.586601	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+3ACN+2H"	125.094202
"1704136"	434.105685	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+NH4+CF3COOH"	132.026685
"1641973"	439.06108	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+Na+CF3COOH"	136.98208
"1579814"	455.03502	"C01709"	"Hesperetin;357-Trihydroxy-4-methoxyflavanone"	"C16H14O6"	"302.079"	"M+K+CF3COOH"	152.95602
"804711"	134.0732	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M"	0
"985900"	115.05481	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-H2O-H"	-19.01839
"75236"	88.3748573333333	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M-3H"	-3.021828
"510423"	133.065924	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M-3H"	-3.021828
"882757"	43.6837906666667	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-3H"	-3.021828
"3520"	133.065924	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M-2H"	-2.014552
"454388"	200.102524	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M-2H"	-2.014552
"831827"	66.029324	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-2H"	-2.014552
"89623"	267.139124	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M-H"	-1.007276
"521892"	401.212324	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M-H"	-1.007276
"904798"	133.065924	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-H"	-1.007276
"62474"	284.165671	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M-2H+NH4"	16.019271
"501053"	418.238871	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M-2H+NH4"	16.019271
"879669"	150.092471	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-2H+NH4"	16.019271
"46718"	289.121066	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M-2H+Na"	20.974666
"485709"	423.194266	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M-2H+Na"	20.974666
"863146"	155.047866	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-2H+Na"	20.974666
"1630980"	155.047866	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Na-2H"	20.974666
"106415"	151.054263	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M-H+Cl"	33.962126
"541964"	218.090863	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M-H+Cl"	33.962126
"928918"	84.017663	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-H+Cl"	33.962126
"274035"	303.115802	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+Cl"	34.969402
"664268"	437.189002	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+Cl"	34.969402
"1275212"	169.042602	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Cl"	34.969402
"17160"	305.095006	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M-2H+K"	36.948606
"462072"	439.168206	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M-2H+K"	36.948606
"839874"	171.021806	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-2H+K"	36.948606
"1563362"	171.021806	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+K-2H"	36.948606
"947964"	179.071394	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-H+HCOOH"	44.998194
"362531"	313.144601	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+HCOOH-H"	44.998201
"345713"	327.160251	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+Hac-H"	59.013851
"1494520"	193.087051	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Hac-H"	59.013851
"958898"	201.053351	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-H+NaCOOH"	66.980151
"110602"	169.042602	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+2Cl"	69.938804
"550410"	236.079202	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+2Cl"	69.938804
"1030272"	102.006002	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2Cl"	69.938804
"1246568"	212.992085	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Br"	78.918885
"1305004"	215.048072	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Cl+HCOOH"	80.974872
"1322500"	237.030029	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Cl+NaCOOH"	102.956829
"923412"	247.058786	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M-H+CF3COOH"	112.985586
"1300847"	283.035464	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Cl+CF3COOH"	148.962264
"1379737"	99.060524	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H-2H2O"	-35.012676
"1394314"	117.0705	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H-H2O"	-17.0027
"291817"	269.153676	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+H"	1.007276
"680957"	403.226876	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+H"	1.007276
"1361683"	135.080476	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H"	1.007276
"132384"	135.080476	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+2H"	2.014552
"573037"	202.117076	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+2H"	2.014552
"1042929"	68.043876	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2H"	2.014552
"207550"	90.3894093333333	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+3H"	3.021828
"649295"	135.080476	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+3H"	3.021828
"1165237"	45.6983426666667	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+3H"	3.021828
"425591"	286.180223	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+NH4"	18.033823
"800816"	420.253423	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+NH4"	18.033823
"1690214"	152.107023	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+NH4"	18.033823
"342511"	143.5937495	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+H+NH4"	19.041099
"736388"	210.6303495	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+H+NH4"	19.041099
"1491302"	76.5571495	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H+NH4"	19.041099
"405607"	291.135618	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+Na"	22.989218
"766237"	425.208818	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+Na"	22.989218
"1612514"	157.062418	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Na"	22.989218
"327293"	146.071447	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+H+Na"	23.996494
"719348"	213.108047	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+H+Na"	23.996494
"1473534"	79.034847	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H+Na"	23.996494
"1064590"	53.0256566666667	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2H+Na"	25.00377
"1269914"	167.106686	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+CH3OH+H"	33.033486
"391772"	307.109558	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+K"	38.963158
"753946"	441.182758	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+K"	38.963158
"1554826"	173.036358	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+K"	38.963158
"313699"	154.058417	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+H+K"	39.970434
"706241"	221.095017	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+H+K"	39.970434
"1457873"	87.021817	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H+K"	39.970434
"245015"	310.180226	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+ACN+H"	42.033826
"1217723"	176.107026	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+ACN+H"	42.033826
"1198328"	88.557151	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+ACN+2H"	43.041102
"189983"	313.11756	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+2Na-H"	44.97116
"631853"	447.19076	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+2Na-H"	44.97116
"1134265"	179.04436	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2Na-H"	44.97116
"176097"	157.062418	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+2Na"	45.978436
"620396"	224.099018	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+2Na"	45.978436
"1119892"	90.025818	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2Na"	45.978436
"1410715"	60.3529706666667	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H+2Na"	46.985712
"1443931"	181.085946	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H+HCOOH"	47.012746
"233260"	162.09544	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+3H2O+2H"	56.04448
"1523517"	195.13799	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+IsoProp+H"	61.06479
"423606"	165.049388	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+Na+K"	61.952376
"783101"	232.085988	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+Na+K"	61.952376
"1679432"	98.012788	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Na+K"	61.952376
"265951"	332.162168	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+ACN+Na"	64.015768
"1240482"	198.088968	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+ACN+Na"	64.015768
"1727672"	198.112493	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+NH4+HCOOH"	64.039293
"1193391"	67.6802846666667	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+3Na"	68.967654
"1663523"	203.067888	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Na+HCOOH"	68.994688
"171235"	345.06544	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+2K-H"	76.91904
"611282"	479.13864	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+2K-H"	76.91904
"1098101"	210.99224	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2K-H"	76.91904
"156014"	173.036358	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"2M+2K"	77.926316
"595451"	240.072958	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"3M+2K"	77.926316
"1080447"	105.999758	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2K"	77.926316
"1112197"	213.006792	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2K+H"	78.933592
"1344567"	213.094407	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+DMSO+H"	79.021207
"1017473"	217.133576	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2ACN+H"	83.060376
"1526850"	218.127208	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+IsoProp+Na+H"	84.054008
"997679"	109.070426	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+2ACN+2H"	84.067652
"1595462"	219.041828	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+K+HCOOH"	84.968628
"1422218"	249.073338	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+H+CF3COOH"	115.000138
"1153601"	129.583701	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+3ACN+2H"	125.094202
"1705339"	266.099885	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+NH4+CF3COOH"	132.026685
"1645363"	271.05528	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+Na+CF3COOH"	136.98208
"1579924"	287.02922	"C01710"	"Indan-1-ol"	"C9H10O"	"134.0732"	"M+K+CF3COOH"	152.95602
"803728"	342.1162	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M"	0
"989809"	323.09781	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"66600"	227.070190666667	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"504700"	341.108924	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"885055"	113.031457333333	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"12014"	341.108924	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"453035"	512.167024	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"831808"	170.050824	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"92771"	683.225124	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"521638"	1025.341324	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"908190"	341.108924	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"61859"	700.251671	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"502026"	1042.367871	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"879342"	358.135471	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"46872"	705.207066	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"486562"	1047.323266	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"863629"	363.090866	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1628175"	363.090866	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"103609"	359.097263	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"544263"	530.155363	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"940937"	188.039163	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"276333"	719.201802	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"667659"	1061.318002	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1277875"	377.085602	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"24804"	721.181006	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"462182"	1063.297206	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"839984"	379.064806	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1563472"	379.064806	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"944794"	387.114394	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"365196"	729.230601	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"347986"	743.246251	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1493658"	401.130051	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"960351"	409.096351	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"110834"	377.085602	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"557205"	548.143702	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1030382"	206.027502	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1247772"	421.035085	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1310219"	423.091072	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1320788"	445.073029	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"924250"	455.101786	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1302052"	491.078464	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1381307"	307.103524	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1396980"	325.1135	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"297031"	685.239676	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"689089"	1027.355876	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1363979"	343.123476	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"137961"	343.123476	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"574242"	514.181576	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1043403"	172.065376	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"206200"	229.084742666667	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"651592"	343.123476	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1166803"	115.046009333333	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"429715"	702.266223	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"800563"	1044.382423	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1696921"	360.150023	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"344809"	351.6367495	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"737230"	522.6948495	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1491779"	180.5786495	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"407542"	707.221618	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"768537"	1049.337818	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1616272"	365.105418	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"328495"	354.114447	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"721280"	525.172547	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1475829"	183.056347	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1067252"	122.373323333333	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1272539"	375.149686	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"391514"	723.195558	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"754148"	1065.311758	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1553104"	381.079358	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"313198"	362.101417	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"706680"	533.159517	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1457985"	191.043317	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"247312"	726.266226	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1214918"	384.150026	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1199895"	192.578651	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"190940"	729.20356	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"635242"	1071.31976	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1137655"	387.08736	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"176206"	365.105418	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"617954"	536.163518	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1119273"	194.047318	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1411918"	129.700637333333	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1444898"	389.128946	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"235359"	370.13844	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1522533"	403.18099	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"423556"	373.092388	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"785038"	544.150488	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1680516"	202.034288	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"266187"	748.248168	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1239869"	406.131968	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1728148"	406.155493	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1193504"	137.027951333333	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1664729"	411.110888	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"172082"	761.15144	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"611880"	1103.26764	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1099065"	419.03524	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"156124"	381.079358	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"595803"	552.137458	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1080557"	210.021258	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1113036"	421.049792	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1344677"	421.137407	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1018311"	425.176576	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1530240"	426.170208	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"992322"	213.091926	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1588522"	427.084828	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1415643"	457.116338	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1155898"	233.605201	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1701075"	474.142885	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1640006"	479.09828	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1580034"	495.07222	"C01711"	"Inulobiose;1-O-beta-D-Fructo-furanosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"803838"	282.2559	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M"	0
"987945"	263.23751	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-H2O-H"	-19.01839
"69990"	187.163324	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M-3H"	-3.021828
"510643"	281.248624	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M-3H"	-3.021828
"885165"	93.078024	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-3H"	-3.021828
"12488"	281.248624	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M-2H"	-2.014552
"448770"	422.376574	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M-2H"	-2.014552
"830947"	140.120674	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-2H"	-2.014552
"93002"	563.504524	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M-H"	-1.007276
"521748"	845.760424	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M-H"	-1.007276
"909393"	281.248624	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-H"	-1.007276
"62710"	580.531071	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M-2H+NH4"	16.019271
"502741"	862.786971	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M-2H+NH4"	16.019271
"879725"	298.275171	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-2H+NH4"	16.019271
"46938"	585.486466	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M-2H+Na"	20.974666
"486982"	867.742366	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M-2H+Na"	20.974666
"864066"	303.230566	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-2H+Na"	20.974666
"1630472"	303.230566	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Na-2H"	20.974666
"108094"	299.236963	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M-H+Cl"	33.962126
"544373"	440.364913	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M-H+Cl"	33.962126
"940075"	158.109013	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-H+Cl"	33.962126
"276443"	599.481202	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+Cl"	34.969402
"667769"	881.737102	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+Cl"	34.969402
"1277985"	317.225302	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Cl"	34.969402
"24914"	601.460406	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M-2H+K"	36.948606
"459012"	883.716306	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M-2H+K"	36.948606
"840094"	319.204506	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-2H+K"	36.948606
"1560302"	319.204506	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+K-2H"	36.948606
"944904"	327.254094	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-H+HCOOH"	44.998194
"364213"	609.510001	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+HCOOH-H"	44.998201
"348096"	623.525651	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+Hac-H"	59.013851
"1496926"	341.269751	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Hac-H"	59.013851
"960097"	349.236051	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-H+NaCOOH"	66.980151
"111553"	317.225302	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+2Cl"	69.938804
"552939"	458.353252	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+2Cl"	69.938804
"1028304"	176.097352	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2Cl"	69.938804
"1247881"	361.174785	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Br"	78.918885
"1308142"	363.230772	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Cl+HCOOH"	80.974872
"1321627"	385.212729	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Cl+NaCOOH"	102.956829
"917791"	395.241486	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M-H+CF3COOH"	112.985586
"1295594"	431.218164	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Cl+CF3COOH"	148.962264
"1371568"	247.243224	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H-2H2O"	-35.012676
"1393442"	265.2532	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H-H2O"	-17.0027
"296048"	565.519076	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+H"	1.007276
"688107"	847.774976	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+H"	1.007276
"1363361"	283.263176	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H"	1.007276
"137707"	283.263176	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+2H"	2.014552
"574352"	424.391126	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+2H"	2.014552
"1042420"	142.135226	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2H"	2.014552
"206310"	189.177876	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+3H"	3.021828
"648784"	283.263176	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+3H"	3.021828
"1163994"	95.092576	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+3H"	3.021828
"430918"	582.545623	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+NH4"	18.033823
"800302"	864.801523	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+NH4"	18.033823
"1696271"	300.289723	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+NH4"	18.033823
"344555"	291.7764495	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+H+NH4"	19.041099
"737340"	432.9043995	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+H+NH4"	19.041099
"1491528"	150.6484995	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H+NH4"	19.041099
"408016"	587.501018	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+Na"	22.989218
"769007"	869.756918	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+Na"	22.989218
"1614919"	305.245118	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Na"	22.989218
"328966"	294.254147	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+H+Na"	23.996494
"722484"	435.382097	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+H+Na"	23.996494
"1476871"	153.126197	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H+Na"	23.996494
"1068349"	102.41989	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2H+Na"	25.00377
"1271590"	315.289386	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+CH3OH+H"	33.033486
"387976"	603.474958	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+K"	38.963158
"754114"	885.730858	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+K"	38.963158
"1551027"	321.219058	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+K"	38.963158
"314186"	302.241117	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+H+K"	39.970434
"706098"	443.369067	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+H+K"	39.970434
"1459551"	161.113167	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H+K"	39.970434
"247422"	606.545626	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+ACN+H"	42.033826
"1215757"	324.289726	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+ACN+H"	42.033826
"1199641"	162.648501	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+ACN+2H"	43.041102
"190078"	609.48296	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+2Na-H"	44.97116
"630977"	891.73886	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+2Na-H"	44.97116
"1141045"	327.22706	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2Na-H"	44.97116
"176316"	305.245118	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+2Na"	45.978436
"620615"	446.373068	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+2Na"	45.978436
"1118288"	164.117168	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2Na"	45.978436
"1412995"	109.747204	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H+2Na"	46.985712
"1444400"	329.268646	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H+HCOOH"	47.012746
"234574"	310.27814	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+3H2O+2H"	56.04448
"1523372"	343.32069	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+IsoProp+H"	61.06479
"423868"	313.232088	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+Na+K"	61.952376
"784417"	454.360038	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+Na+K"	61.952376
"1678559"	172.104138	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Na+K"	61.952376
"266166"	628.527568	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+ACN+Na"	64.015768
"1237427"	346.271668	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+ACN+Na"	64.015768
"1727407"	346.295193	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+NH4+HCOOH"	64.039293
"1192031"	117.074518	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+3Na"	68.967654
"1664107"	351.250588	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Na+HCOOH"	68.994688
"171334"	641.43084	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+2K-H"	76.91904
"610895"	923.68674	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+2K-H"	76.91904
"1099540"	359.17494	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2K-H"	76.91904
"154771"	321.219058	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"2M+2K"	77.926316
"596518"	462.347008	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"3M+2K"	77.926316
"1081031"	180.091108	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2K"	77.926316
"1111686"	361.189492	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2K+H"	78.933592
"1344787"	361.277107	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+DMSO+H"	79.021207
"1015505"	365.316276	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2ACN+H"	83.060376
"1528164"	366.309908	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+IsoProp+Na+H"	84.054008
"990117"	183.161776	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+2ACN+2H"	84.067652
"1588511"	367.224528	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+K+HCOOH"	84.968628
"1415632"	397.256038	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+H+CF3COOH"	115.000138
"1153821"	203.675051	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+3ACN+2H"	125.094202
"1701185"	414.282585	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+NH4+CF3COOH"	132.026685
"1640116"	419.23798	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+Na+CF3COOH"	136.98208
"1580144"	435.21192	"C01712"	"(9E)-Octadecenoic acid;9-Octadecenoic acid (E)-;(E)-Oleic acid;D9-trans-Octadecenoic acid;9-trans-Octadecenoic acid;trans-D9-Octadecenoic acid;trans-9-Octadecenoic acid;trans-Elaidic acid;trans-Oleic acid;Elaidic acid;Acide elaidique;Elaidinsaure"	"C18H34O2"	"282.2559"	"M+K+CF3COOH"	152.95602
"805041"	432.1056	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M"	0
"988785"	413.08721	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-H2O-H"	-19.01839
"70100"	287.063124	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M-3H"	-3.021828
"510753"	431.098324	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M-3H"	-3.021828
"885275"	143.027924	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-3H"	-3.021828
"10411"	431.098324	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H"	-2.014552
"454347"	647.151124	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H"	-2.014552
"832400"	215.045524	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H"	-2.014552
"93112"	863.203924	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M-H"	-1.007276
"524044"	1295.309524	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M-H"	-1.007276
"910598"	431.098324	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-H"	-1.007276
"62803"	880.230471	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+NH4"	16.019271
"502728"	1312.336071	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+NH4"	16.019271
"879832"	448.124871	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+NH4"	16.019271
"47077"	885.185866	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+Na"	20.974666
"486984"	1317.291466	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+Na"	20.974666
"864133"	453.080266	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+Na"	20.974666
"1629489"	453.080266	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na-2H"	20.974666
"109833"	449.086663	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M-H+Cl"	33.962126
"548494"	665.139463	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M-H+Cl"	33.962126
"938727"	233.033863	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+Cl"	33.962126
"276553"	899.180602	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Cl"	34.969402
"671159"	1331.286202	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Cl"	34.969402
"1281375"	467.075002	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl"	34.969402
"25024"	901.159806	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+K"	36.948606
"459122"	1333.265406	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+K"	36.948606
"840204"	469.054206	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+K"	36.948606
"1560412"	469.054206	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+K-2H"	36.948606
"947200"	477.103794	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+HCOOH"	44.998194
"365415"	909.209401	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+HCOOH-H"	44.998201
"349300"	923.225051	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Hac-H"	59.013851
"1494119"	491.119451	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Hac-H"	59.013851
"960207"	499.085751	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+NaCOOH"	66.980151
"111663"	467.075002	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Cl"	69.938804
"554142"	683.127802	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Cl"	69.938804
"1025134"	251.022202	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Cl"	69.938804
"1250177"	511.024485	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Br"	78.918885
"1307158"	513.080472	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+HCOOH"	80.974872
"1322466"	535.062429	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+NaCOOH"	102.956829
"912794"	545.091186	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+CF3COOH"	112.985586
"1289502"	581.067864	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+CF3COOH"	148.962264
"1368031"	397.092924	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H-2H2O"	-35.012676
"1395375"	415.1029	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H-H2O"	-17.0027
"297253"	865.218476	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H"	1.007276
"689311"	1297.324076	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H"	1.007276
"1363105"	433.112876	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H"	1.007276
"137819"	433.112876	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2H"	2.014552
"575555"	649.165676	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2H"	2.014552
"1043259"	217.060076	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2H"	2.014552
"208608"	289.077676	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+3H"	3.021828
"648895"	433.112876	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+3H"	3.021828
"1164468"	145.042476	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+3H"	3.021828
"433215"	882.245023	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+NH4"	18.033823
"800412"	1314.350623	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+NH4"	18.033823
"1696501"	450.139423	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4"	18.033823
"344300"	441.6261495	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+NH4"	19.041099
"737936"	657.6789495	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+NH4"	19.041099
"1491515"	225.5733495	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+NH4"	19.041099
"407034"	887.200418	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Na"	22.989218
"768753"	1319.306018	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Na"	22.989218
"1613935"	455.094818	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na"	22.989218
"327251"	444.103847	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+Na"	23.996494
"722111"	660.156647	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+Na"	23.996494
"1473495"	228.051047	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+Na"	23.996494
"1067106"	152.36979	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2H+Na"	25.00377
"1271700"	465.139086	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+CH3OH+H"	33.033486
"387722"	903.174358	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+K"	38.963158
"750906"	1335.279958	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+K"	38.963158
"1546762"	471.068758	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+K"	38.963158
"307219"	452.090817	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+K"	39.970434
"697453"	668.143617	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+K"	39.970434
"1459295"	236.038017	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+K"	39.970434
"247530"	906.245026	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+ACN+H"	42.033826
"1213681"	474.139426	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+H"	42.033826
"1198659"	237.573351	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+2H"	43.041102
"190068"	909.18236	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Na-H"	44.97116
"632178"	1341.28796	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Na-H"	44.97116
"1135688"	477.07676	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Na-H"	44.97116
"178978"	455.094818	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Na"	45.978436
"618538"	671.147618	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Na"	45.978436
"1118399"	239.042018	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Na"	45.978436
"1410312"	159.697104	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+2Na"	46.985712
"1445239"	479.118346	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+HCOOH"	47.012746
"233591"	460.12784	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+3H2O+2H"	56.04448
"1523810"	493.17039	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+IsoProp+H"	61.06479
"422801"	463.081788	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Na+K"	61.952376
"784524"	679.134588	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Na+K"	61.952376
"1677937"	247.028988	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+K"	61.952376
"262631"	928.226968	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+ACN+Na"	64.015768
"1238996"	496.121368	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+Na"	64.015768
"1728248"	496.144893	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4+HCOOH"	64.039293
"1193929"	167.024418	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+3Na"	68.967654
"1664583"	501.100288	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+HCOOH"	68.994688
"172054"	941.13024	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2K-H"	76.91904
"612221"	1373.23584	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2K-H"	76.91904
"1099894"	509.02464	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K-H"	76.91904
"156463"	471.068758	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2K"	77.926316
"596264"	687.121558	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2K"	77.926316
"1082234"	255.015958	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K"	77.926316
"1113620"	511.039192	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K+H"	78.933592
"1344897"	511.126807	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+DMSO+H"	79.021207
"1014522"	515.165976	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2ACN+H"	83.060376
"1529367"	516.159608	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+IsoProp+Na+H"	84.054008
"990595"	258.086626	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+2ACN+2H"	84.067652
"1589958"	517.074228	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+K+HCOOH"	84.968628
"1415986"	547.105738	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+CF3COOH"	115.000138
"1153931"	278.599901	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+3ACN+2H"	125.094202
"1704575"	564.132285	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4+CF3COOH"	132.026685
"1642413"	569.08768	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+CF3COOH"	136.98208
"1580254"	585.06162	"C01714"	"Isovitexin;Saponaretin;Apigenin-6-C-glucoside;6-C-Glucosylapigenin;Apigenin 6-C-glucoside"	"C21H20O10"	"432.1056"	"M+K+CF3COOH"	152.95602
"805152"	254.0943	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M"	0
"986343"	235.07591	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-H2O-H"	-19.01839
"66930"	168.388924	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M-3H"	-3.021828
"506489"	253.087024	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M-3H"	-3.021828
"882104"	83.690824	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-3H"	-3.021828
"7241"	253.087024	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M-2H"	-2.014552
"446800"	380.134174	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M-2H"	-2.014552
"822415"	126.039874	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-2H"	-2.014552
"85688"	507.181324	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M-H"	-1.007276
"533033"	761.275624	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M-H"	-1.007276
"910359"	253.087024	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-H"	-1.007276
"61212"	524.207871	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M-2H+NH4"	16.019271
"500895"	778.302171	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M-2H+NH4"	16.019271
"879749"	270.113571	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-2H+NH4"	16.019271
"44892"	529.163266	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M-2H+Na"	20.974666
"486515"	783.257566	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M-2H+Na"	20.974666
"861886"	275.068966	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-2H+Na"	20.974666
"1631540"	275.068966	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Na-2H"	20.974666
"103940"	271.075363	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M-H+Cl"	33.962126
"541312"	398.122513	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M-H+Cl"	33.962126
"935918"	144.028213	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-H+Cl"	33.962126
"271195"	543.158002	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+Cl"	34.969402
"664708"	797.252302	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+Cl"	34.969402
"1278205"	289.063702	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Cl"	34.969402
"16505"	545.137206	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M-2H+K"	36.948606
"469075"	799.231506	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M-2H+K"	36.948606
"838127"	291.042906	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-2H+K"	36.948606
"1556266"	291.042906	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+K-2H"	36.948606
"947310"	299.092494	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-H+HCOOH"	44.998194
"363338"	553.186801	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+HCOOH-H"	44.998201
"347587"	567.202451	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+Hac-H"	59.013851
"1494596"	313.108151	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Hac-H"	59.013851
"962138"	321.074451	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-H+NaCOOH"	66.980151
"112869"	289.063702	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+2Cl"	69.938804
"563613"	416.110852	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+2Cl"	69.938804
"1028524"	162.016552	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2Cl"	69.938804
"1249194"	333.013185	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Br"	78.918885
"1308362"	335.069172	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Cl+HCOOH"	80.974872
"1321847"	357.051129	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Cl+NaCOOH"	102.956829
"915094"	367.079886	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M-H+CF3COOH"	112.985586
"1290706"	403.056564	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Cl+CF3COOH"	148.962264
"1382010"	219.081624	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H-2H2O"	-35.012676
"1397922"	237.0916	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H-H2O"	-17.0027
"296634"	509.195876	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+H"	1.007276
"689422"	763.290176	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+H"	1.007276
"1365400"	255.101576	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H"	1.007276
"138658"	255.101576	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+2H"	2.014552
"575666"	382.148726	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+2H"	2.014552
"1041181"	128.054426	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2H"	2.014552
"208718"	170.403476	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+3H"	3.021828
"646090"	255.101576	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+3H"	3.021828
"1174064"	85.705376	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+3H"	3.021828
"434421"	526.222423	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+NH4"	18.033823
"799066"	780.316723	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+NH4"	18.033823
"1694301"	272.128123	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+NH4"	18.033823
"344773"	263.6148495	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+H+NH4"	19.041099
"737076"	390.6619995	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+H+NH4"	19.041099
"1491987"	136.5676995	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H+NH4"	19.041099
"404589"	531.177818	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+Na"	22.989218
"768137"	785.272118	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+Na"	22.989218
"1614048"	277.083518	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Na"	22.989218
"325905"	266.092547	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+H+Na"	23.996494
"720153"	393.139697	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+H+Na"	23.996494
"1475065"	139.045397	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H+Na"	23.996494
"1067100"	93.03269	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2H+Na"	25.00377
"1269624"	287.127786	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+CH3OH+H"	33.033486
"387104"	547.151758	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+K"	38.963158
"748098"	801.246058	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+K"	38.963158
"1549788"	293.057458	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+K"	38.963158
"308421"	274.079517	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+H+K"	39.970434
"699750"	401.126667	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+H+K"	39.970434
"1454666"	147.032367	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H+K"	39.970434
"242176"	550.222426	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+ACN+H"	42.033826
"1214883"	296.128126	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+ACN+H"	42.033826
"1197675"	148.567701	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+ACN+2H"	43.041102
"190546"	553.15976	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+2Na-H"	44.97116
"637758"	807.25406	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+2Na-H"	44.97116
"1135797"	299.06546	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2Na-H"	44.97116
"178357"	277.083518	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+2Na"	45.978436
"617918"	404.130668	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+2Na"	45.978436
"1127266"	150.036368	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2Na"	45.978436
"1411887"	100.360004	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H+2Na"	46.985712
"1443641"	301.107046	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H+HCOOH"	47.012746
"233701"	282.11654	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+3H2O+2H"	56.04448
"1522493"	315.15909	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+IsoProp+H"	61.06479
"422180"	285.070488	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+Na+K"	61.952376
"783905"	412.117638	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+Na+K"	61.952376
"1678046"	158.023338	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Na+K"	61.952376
"264930"	572.204368	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+ACN+Na"	64.015768
"1239471"	318.110068	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+ACN+Na"	64.015768
"1726533"	318.133593	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+NH4+HCOOH"	64.039293
"1193344"	107.687318	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+3Na"	68.967654
"1665059"	323.088988	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Na+HCOOH"	68.994688
"171551"	585.10764	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+2K-H"	76.91904
"611964"	839.20194	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+2K-H"	76.91904
"1098907"	331.01334	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2K-H"	76.91904
"153530"	293.057458	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"2M+2K"	77.926316
"594184"	420.104608	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"3M+2K"	77.926316
"1076512"	166.010308	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2K"	77.926316
"1111540"	333.027892	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2K+H"	78.933592
"1345010"	333.115507	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+DMSO+H"	79.021207
"1010259"	337.154676	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2ACN+H"	83.060376
"1527298"	338.148308	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+IsoProp+Na+H"	84.054008
"998120"	169.080976	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+2ACN+2H"	84.067652
"1599185"	339.062928	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+K+HCOOH"	84.968628
"1420474"	369.094438	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+H+CF3COOH"	115.000138
"1156230"	189.594251	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+3ACN+2H"	125.094202
"1704687"	386.120985	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+NH4+CF3COOH"	132.026685
"1639247"	391.07638	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+Na+CF3COOH"	136.98208
"1577085"	407.05032	"C01716"	"Ketoprofen"	"C16H14O3"	"254.0943"	"M+K+CF3COOH"	152.95602
"804169"	189.0426	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M"	0
"987543"	170.02421	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-H2O-H"	-19.01839
"67040"	125.021124	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M-3H"	-3.021828
"507692"	188.035324	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M-3H"	-3.021828
"882214"	62.006924	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-3H"	-3.021828
"7351"	188.035324	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M-2H"	-2.014552
"448003"	282.556624	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M-2H"	-2.014552
"823618"	93.514024	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-2H"	-2.014552
"86891"	377.077924	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M-H"	-1.007276
"533021"	566.120524	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M-H"	-1.007276
"909616"	188.035324	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-H"	-1.007276
"62169"	394.104471	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M-2H+NH4"	16.019271
"499789"	583.147071	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M-2H+NH4"	16.019271
"878801"	205.061871	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-2H+NH4"	16.019271
"46214"	399.059866	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M-2H+Na"	20.974666
"484922"	588.102466	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M-2H+Na"	20.974666
"853612"	210.017266	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-2H+Na"	20.974666
"1624237"	210.017266	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Na-2H"	20.974666
"104047"	206.023663	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M-H+Cl"	33.962126
"537048"	300.544963	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M-H+Cl"	33.962126
"930561"	111.502363	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-H+Cl"	33.962126
"269117"	413.054602	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+Cl"	34.969402
"662631"	602.097202	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+Cl"	34.969402
"1275035"	224.012002	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Cl"	34.969402
"16254"	415.033806	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M-2H+K"	36.948606
"462623"	604.076406	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M-2H+K"	36.948606
"833985"	225.991206	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-2H+K"	36.948606
"1555692"	225.991206	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+K-2H"	36.948606
"942915"	234.040794	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-H+HCOOH"	44.998194
"362354"	423.083401	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+HCOOH-H"	44.998201
"345943"	437.099051	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+Hac-H"	59.013851
"1493236"	248.056451	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Hac-H"	59.013851
"960059"	256.022751	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-H+NaCOOH"	66.980151
"112979"	224.012002	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+2Cl"	69.938804
"562751"	318.533302	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+2Cl"	69.938804
"1026447"	129.490702	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2Cl"	69.938804
"1250397"	267.961485	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Br"	78.918885
"1308472"	270.017472	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Cl+HCOOH"	80.974872
"1324143"	291.999429	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Cl+NaCOOH"	102.956829
"911410"	302.028186	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M-H+CF3COOH"	112.985586
"1289236"	338.004864	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Cl+CF3COOH"	148.962264
"1369709"	154.029924	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H-2H2O"	-35.012676
"1383437"	172.0399	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H-H2O"	-17.0027
"292364"	379.092476	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+H"	1.007276
"685884"	568.135076	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+H"	1.007276
"1361137"	190.049876	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H"	1.007276
"138401"	190.049876	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+2H"	2.014552
"575776"	284.571176	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+2H"	2.014552
"1041656"	95.528576	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2H"	2.014552
"209557"	127.035676	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+3H"	3.021828
"648022"	190.049876	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+3H"	3.021828
"1174538"	64.021476	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+3H"	3.021828
"433438"	396.119023	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+NH4"	18.033823
"799176"	585.161623	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+NH4"	18.033823
"1694775"	207.076423	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+NH4"	18.033823
"344883"	198.5631495	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+H+NH4"	19.041099
"736461"	293.0844495	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+H+NH4"	19.041099
"1491852"	104.0418495	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H+NH4"	19.041099
"404699"	401.074418	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+Na"	22.989218
"768247"	590.117018	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+Na"	22.989218
"1614522"	212.031818	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Na"	22.989218
"326743"	201.040847	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+H+Na"	23.996494
"721355"	295.562147	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+H+Na"	23.996494
"1474810"	106.519547	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H+Na"	23.996494
"1067577"	71.34879	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2H+Na"	25.00377
"1269369"	222.076086	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+CH3OH+H"	33.033486
"387942"	417.048358	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+K"	38.963158
"750396"	606.090958	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+K"	38.963158
"1552085"	228.005758	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+K"	38.963158
"311447"	209.027817	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+H+K"	39.970434
"706056"	303.549117	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+H+K"	39.970434
"1454776"	114.506517	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H+K"	39.970434
"242285"	420.119026	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+ACN+H"	42.033826
"1213899"	231.076426	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+ACN+H"	42.033826
"1199972"	116.041851	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+ACN+2H"	43.041102
"191749"	423.05636	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+2Na-H"	44.97116
"637868"	612.09896	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+2Na-H"	44.97116
"1135908"	234.01376	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2Na-H"	44.97116
"178103"	212.031818	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+2Na"	45.978436
"620945"	306.553118	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+2Na"	45.978436
"1123361"	117.510518	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2Na"	45.978436
"1409076"	78.676104	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H+2Na"	46.985712
"1443020"	236.055346	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H+HCOOH"	47.012746
"233442"	217.06484	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+3H2O+2H"	56.04448
"1521508"	250.10739	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+IsoProp+H"	61.06479
"421560"	220.018788	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+Na+K"	61.952376
"783286"	314.540088	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+Na+K"	61.952376
"1678153"	125.497488	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Na+K"	61.952376
"264310"	442.100968	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+ACN+Na"	64.015768
"1238844"	253.058368	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+ACN+Na"	64.015768
"1727368"	253.081893	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+NH4+HCOOH"	64.039293
"1192849"	86.003418	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+3Na"	68.967654
"1665046"	258.037288	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Na+HCOOH"	68.994688
"170200"	455.00424	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+2K-H"	76.91904
"611585"	644.04684	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+2K-H"	76.91904
"1099017"	265.96164	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2K-H"	76.91904
"154735"	228.005758	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"2M+2K"	77.926316
"595024"	322.527058	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"3M+2K"	77.926316
"1076622"	133.484458	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2K"	77.926316
"1105454"	267.976192	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2K+H"	78.933592
"1345120"	268.063807	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+DMSO+H"	79.021207
"1008181"	272.102976	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2ACN+H"	83.060376
"1524727"	273.096608	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+IsoProp+Na+H"	84.054008
"990446"	136.555126	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+2ACN+2H"	84.067652
"1599295"	274.011228	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+K+HCOOH"	84.968628
"1417304"	304.042738	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+H+CF3COOH"	115.000138
"1157433"	157.068401	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+3ACN+2H"	125.094202
"1701517"	321.069285	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+NH4+CF3COOH"	132.026685
"1636077"	326.02468	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+Na+CF3COOH"	136.98208
"1573915"	341.99862	"C01717"	"4-Hydroxy-2-quinolinecarboxylic acid;Kynurenic acid;Kynurenate"	"C10H7NO3"	"189.0426"	"M+K+CF3COOH"	152.95602
"804279"	208.0848	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M"	0
"987653"	189.06641	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-H2O-H"	-19.01839
"67150"	137.715924	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M-3H"	-3.021828
"506709"	207.077524	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M-3H"	-3.021828
"882324"	68.354324	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-3H"	-3.021828
"8554"	207.077524	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M-2H"	-2.014552
"447020"	311.119924	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M-2H"	-2.014552
"822635"	103.035124	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-2H"	-2.014552
"87001"	415.162324	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M-H"	-1.007276
"534216"	623.247124	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M-H"	-1.007276
"908880"	207.077524	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-H"	-1.007276
"62277"	432.188871	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M-2H+NH4"	16.019271
"501476"	640.273671	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M-2H+NH4"	16.019271
"879514"	224.104071	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-2H+NH4"	16.019271
"46324"	437.144266	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M-2H+Na"	20.974666
"486490"	645.229066	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M-2H+Na"	20.974666
"857003"	229.059466	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-2H+Na"	20.974666
"1626533"	229.059466	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Na-2H"	20.974666
"104157"	225.065863	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M-H+Cl"	33.962126
"542624"	329.108263	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M-H+Cl"	33.962126
"932858"	121.023463	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-H+Cl"	33.962126
"271414"	451.139002	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+Cl"	34.969402
"662376"	659.223802	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+Cl"	34.969402
"1275505"	243.054202	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Cl"	34.969402
"18796"	453.118206	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M-2H+K"	36.948606
"462733"	661.203006	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M-2H+K"	36.948606
"833483"	245.033406	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-2H+K"	36.948606
"1556117"	245.033406	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+K-2H"	36.948606
"943309"	253.082994	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-H+HCOOH"	44.998194
"362585"	461.167801	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+HCOOH-H"	44.998201
"346297"	475.183451	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+Hac-H"	59.013851
"1493220"	267.098651	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Hac-H"	59.013851
"959926"	275.064951	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-H+NaCOOH"	66.980151
"114547"	243.054202	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+2Cl"	69.938804
"564562"	347.096602	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+2Cl"	69.938804
"1033118"	139.011802	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2Cl"	69.938804
"1250507"	287.003685	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Br"	78.918885
"1311862"	289.059672	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Cl+HCOOH"	80.974872
"1323890"	311.041629	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Cl+NaCOOH"	102.956829
"913126"	321.070386	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M-H+CF3COOH"	112.985586
"1290562"	357.047064	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Cl+CF3COOH"	148.962264
"1369454"	173.072124	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H-2H2O"	-35.012676
"1383790"	191.0821	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H-H2O"	-17.0027
"283223"	417.176876	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+H"	1.007276
"688181"	625.261676	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+H"	1.007276
"1361247"	209.092076	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H"	1.007276
"133043"	209.092076	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+2H"	2.014552
"575886"	313.134476	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+2H"	2.014552
"1041766"	105.049676	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2H"	2.014552
"211490"	139.730476	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+3H"	3.021828
"647403"	209.092076	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+3H"	3.021828
"1174648"	70.368876	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+3H"	3.021828
"433548"	434.203423	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+NH4"	18.033823
"798921"	642.288223	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+NH4"	18.033823
"1693792"	226.118623	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+NH4"	18.033823
"344993"	217.6053495	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+H+NH4"	19.041099
"738269"	321.6477495	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+H+NH4"	19.041099
"1492326"	113.5629495	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H+NH4"	19.041099
"406265"	439.158818	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+Na"	22.989218
"766897"	647.243618	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+Na"	22.989218
"1613171"	231.074018	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Na"	22.989218
"327217"	220.083047	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+H+Na"	23.996494
"714534"	324.125447	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+H+Na"	23.996494
"1470542"	116.040647	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H+Na"	23.996494
"1064884"	77.69619	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2H+Na"	25.00377
"1267292"	241.118286	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+CH3OH+H"	33.033486
"388052"	455.132758	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+K"	38.963158
"750870"	663.217558	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+K"	38.963158
"1552559"	247.047958	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+K"	38.963158
"310828"	228.070017	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+H+K"	39.970434
"706530"	332.112417	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+H+K"	39.970434
"1453793"	124.027617	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H+K"	39.970434
"239115"	458.203426	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+ACN+H"	42.033826
"1215467"	250.118626	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+ACN+H"	42.033826
"1200082"	125.562951	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+ACN+2H"	43.041102
"192951"	461.14076	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+2Na-H"	44.97116
"640164"	669.22556	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+2Na-H"	44.97116
"1139298"	253.05596	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2Na-H"	44.97116
"180398"	231.074018	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+2Na"	45.978436
"621055"	335.116418	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+2Na"	45.978436
"1123472"	127.031618	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2Na"	45.978436
"1410280"	85.023504	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H+2Na"	46.985712
"1443497"	255.097546	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H+HCOOH"	47.012746
"232823"	236.10704	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+3H2O+2H"	56.04448
"1523074"	269.14959	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+IsoProp+H"	61.06479
"422640"	239.060988	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+Na+K"	61.952376
"785096"	343.103388	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+Na+K"	61.952376
"1678627"	135.018588	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Na+K"	61.952376
"262961"	480.185368	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+ACN+Na"	64.015768
"1239318"	272.100568	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+ACN+Na"	64.015768
"1727842"	272.124093	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+NH4+HCOOH"	64.039293
"1193809"	92.350818	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+3Na"	68.967654
"1664914"	277.079488	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Na+HCOOH"	68.994688
"170310"	493.08864	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+2K-H"	76.91904
"612302"	701.17344	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+2K-H"	76.91904
"1099007"	285.00384	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2K-H"	76.91904
"155818"	247.047958	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"2M+2K"	77.926316
"594041"	351.090358	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"3M+2K"	77.926316
"1076731"	143.005558	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2K"	77.926316
"1105564"	287.018392	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2K+H"	78.933592
"1345230"	287.106007	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+DMSO+H"	79.021207
"1006223"	291.145176	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2ACN+H"	83.060376
"1524839"	292.138808	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+IsoProp+Na+H"	84.054008
"990432"	146.076226	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+2ACN+2H"	84.067652
"1599405"	293.053428	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+K+HCOOH"	84.968628
"1423974"	323.084938	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+H+CF3COOH"	115.000138
"1159730"	166.589501	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+3ACN+2H"	125.094202
"1701627"	340.111485	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+NH4+CF3COOH"	132.026685
"1636187"	345.06688	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+Na+CF3COOH"	136.98208
"1574025"	361.04082	"C01718"	"Kynurenine;3-Anthraniloylalanine"	"C10H12N2O3"	"208.0848"	"M+K+CF3COOH"	152.95602
"804753"	180.0634	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M"	0
"989604"	161.04501	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"67260"	119.034990666667	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"507913"	179.056124	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"886808"	59.0138573333333	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"5385"	179.056124	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"446037"	269.087824	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"821652"	89.024424	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"86017"	359.119524	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"533485"	539.182924	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"909475"	179.056124	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"60692"	376.146071	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"502557"	556.209471	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"879871"	196.082671	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"46193"	381.101466	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"487083"	561.164866	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"857112"	201.038066	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1627739"	201.038066	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"100989"	197.044463	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"541643"	287.076163	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"938436"	107.012763	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"273712"	395.096202	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"665403"	575.159602	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1278899"	215.032802	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"17567"	397.075406	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"462844"	577.138806	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"833958"	217.012006	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1556717"	217.012006	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"943179"	225.061594	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"362692"	405.125001	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"346008"	419.140651	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1494926"	239.077251	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"964290"	247.043551	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"114657"	215.032802	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"565623"	305.064502	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1035413"	125.001102	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1252805"	258.982285	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1311972"	261.038272	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1326187"	283.020229	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"913601"	293.048986	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1290307"	329.025664	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1371023"	145.050724	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1385237"	163.0607	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"283830"	361.134076	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"686834"	541.197476	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1362089"	181.070676	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"136433"	181.070676	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"573807"	271.102376	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1046980"	91.038976	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"211600"	121.049542666667	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"647880"	181.070676	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1175853"	61.0284093333333	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"434751"	378.160623	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"800613"	558.224023	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1693903"	198.097223	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"341452"	189.5839495	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"734968"	279.6156495	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1482227"	99.5522495	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"402001"	383.116018	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"762996"	563.179418	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1613281"	203.052618	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"322224"	192.061647	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"718291"	282.093347	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1470652"	102.029947	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1065357"	68.3557233333333	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1267401"	213.096886	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"389986"	399.089958	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"753656"	579.153358	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1554736"	219.026558	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"313979"	200.048617	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"706645"	290.080317	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1459734"	110.016917	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"244692"	402.160626	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1216308"	222.097226	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1200190"	111.552251	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"196343"	405.09796	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"636995"	585.16136	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1137221"	225.03456	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"181604"	203.052618	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"622259"	293.084318	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1127956"	113.020918	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410390"	75.6830373333333	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1444942"	227.076146	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"233673"	208.08564	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1523548"	241.12819	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"424126"	211.039588	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"784964"	301.071288	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1680807"	121.007888	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265261"	424.142568	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1240159"	244.079168	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1727471"	244.102693	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1193191"	83.0103513333333	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1665030"	249.058088	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"169691"	437.04584	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"610345"	617.10924	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1099480"	256.98244	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"156906"	219.026558	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"596704"	309.058258	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1082067"	128.994858	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1108954"	258.996992	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1339872"	259.084607	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1006454"	263.123776	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1526895"	264.117408	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"991760"	132.065526	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1596235"	265.032028	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1420804"	295.063538	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1154373"	152.578801	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1701737"	312.090085	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1636297"	317.04548	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1574135"	333.01942	"C01719"	"L-Fructose;L-arabino-Hexulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"811060"	180.0634	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M"	0
"986780"	161.04501	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"70652"	119.034990666667	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"511305"	179.056124	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"885825"	59.0138573333333	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8775"	179.056124	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"445053"	269.087824	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"820668"	89.024424	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"83940"	359.119524	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"525688"	539.182924	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"908980"	179.056124	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"62382"	376.146071	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"502469"	556.209471	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"879584"	196.082671	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"46633"	381.101466	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"486915"	561.164866	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"858319"	201.038066	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1631134"	201.038066	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"107662"	197.044463	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"548313"	287.076163	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"941584"	107.012763	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"273822"	395.096202	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"665149"	575.159602	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1278645"	215.032802	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"19016"	397.075406	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"465141"	577.138806	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"834558"	217.012006	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1556341"	217.012006	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"943980"	225.061594	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"361627"	405.125001	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"346567"	419.140651	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1495036"	239.077251	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"963307"	247.043551	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"114767"	215.032802	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"560162"	305.064502	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1028961"	125.001102	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1246352"	258.982285	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1316455"	261.038272	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1321922"	283.020229	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"912983"	293.048986	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1288835"	329.025664	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1368947"	145.050724	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1384255"	163.0607	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"283576"	361.134076	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"691042"	541.197476	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1364752"	181.070676	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"137636"	181.070676	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"575010"	271.102376	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1048913"	91.038976	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"211710"	121.049542666667	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"652365"	181.070676	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1173774"	61.0284093333333	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"434862"	378.160623	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"801333"	558.224023	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1696782"	198.097223	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"344849"	189.5839495	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"738003"	279.6156495	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1489993"	99.5522495	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"407584"	383.116018	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"768213"	563.179418	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1616309"	203.052618	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"324521"	192.061647	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"717308"	282.093347	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1471857"	102.029947	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1064010"	68.3557233333333	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1270793"	213.096886	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"391191"	399.089958	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"751820"	579.153358	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1553875"	219.026558	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"313237"	200.048617	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"706756"	290.080317	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1460209"	110.016917	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"243708"	402.160626	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1218605"	222.097226	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1198478"	111.552251	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"195360"	405.09796	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"636012"	585.16136	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1141705"	225.03456	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"181714"	203.052618	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624555"	293.084318	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1124787"	113.020918	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410500"	75.6830373333333	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1444808"	227.076146	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"234753"	208.08564	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1523901"	241.12819	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"424026"	211.039588	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"785355"	301.071288	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1680551"	121.007888	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"266751"	424.142568	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1241013"	244.079168	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1728380"	244.102693	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1193956"	83.0103513333333	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1665350"	249.058088	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"170894"	437.04584	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"610455"	617.10924	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1099881"	256.98244	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"157024"	219.026558	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"596979"	309.058258	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1083270"	128.994858	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1109064"	258.996992	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1338889"	259.084607	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1009604"	263.123776	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1526639"	264.117408	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"992359"	132.065526	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1599625"	265.032028	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1423101"	295.063538	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1157763"	152.578801	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1701847"	312.090085	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1636407"	317.04548	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1574245"	333.01942	"C01720"	"L-Fuconate"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"804609"	164.0685	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M"	0
"988836"	145.05011	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"66386"	108.371724	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"505946"	163.061224	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"883748"	53.682224	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"8884"	163.061224	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"444070"	245.095474	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"820777"	81.026974	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"80768"	327.129724	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"523609"	491.198224	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"910417"	163.061224	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"61754"	344.156271	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"501556"	508.224771	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"879609"	180.087771	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"46258"	349.111666	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"486578"	513.180166	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"861708"	185.043166	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1630150"	185.043166	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"107772"	181.049563	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"548302"	263.083813	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"937562"	99.015313	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"273932"	363.106402	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"663072"	527.174902	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1278755"	199.037902	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"19126"	365.085606	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"466344"	529.154106	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"834304"	201.017106	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1555846"	201.017106	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"943849"	209.066694	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"361736"	373.135201	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"346677"	387.150851	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1494782"	223.082351	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"962324"	231.048651	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"114149"	199.037902	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"560272"	281.072152	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1029071"	117.003652	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1246462"	242.987385	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1315472"	245.043372	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1322031"	267.025329	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"914186"	277.054086	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1289800"	313.030764	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1368083"	129.055824	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1383514"	147.0658	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"283117"	329.144276	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"691069"	493.212776	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1363767"	165.075776	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"136653"	165.075776	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"575120"	247.110026	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1048294"	83.041526	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"211820"	110.386276	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"652475"	165.075776	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1170605"	55.696776	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"434972"	346.170823	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"801077"	510.239323	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1696439"	182.102323	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"345081"	173.5890495	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"737260"	255.6232995	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1490103"	91.5547995	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"405504"	351.126218	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"767958"	515.194718	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1614595"	187.057718	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"323538"	176.066747	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"719241"	258.100997	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1473061"	94.032497	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1064120"	63.02409	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1270539"	197.101986	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"392029"	367.100158	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"752295"	531.168658	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1554714"	203.031658	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"313227"	184.053717	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"706259"	266.087967	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1460319"	102.019467	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"245641"	370.170826	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1218715"	206.102326	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1199681"	103.554801	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"195470"	373.10816	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"641225"	537.17666	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1141815"	209.03966	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"181824"	187.057718	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"624665"	269.091968	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1123803"	105.023468	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1404779"	70.351404	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1445406"	211.081246	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"235627"	192.09074	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1523767"	225.13329	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"423944"	195.044688	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"785588"	277.078938	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1681202"	113.010438	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"265843"	392.152768	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1241311"	228.084268	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1728304"	228.107793	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1193777"	77.678718	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1665494"	233.063188	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"171491"	405.05604	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"608376"	569.12454	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1099907"	240.98754	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"157072"	203.031658	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"593641"	285.065908	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1083259"	120.997408	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1108081"	243.002092	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1342279"	243.089707	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1005835"	247.128876	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1525532"	248.122508	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"991375"	124.068076	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1599735"	249.037128	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1422115"	279.068638	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1157873"	144.581351	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1701957"	296.095185	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1636517"	301.05058	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1574355"	317.02452	"C01721"	"L-Fuculose;6-Deoxy-L-tagatose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"811280"	182.079	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M"	0
"987729"	163.06061	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-H2O-H"	-19.01839
"68684"	120.378724	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M-3H"	-3.021828
"508243"	181.071724	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M-3H"	-3.021828
"883858"	59.685724	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-3H"	-3.021828
"5714"	181.071724	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M-2H"	-2.014552
"444180"	272.111224	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M-2H"	-2.014552
"820887"	90.032224	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-2H"	-2.014552
"83065"	363.150724	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M-H"	-1.007276
"524812"	545.229724	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M-H"	-1.007276
"908825"	181.071724	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-H"	-1.007276
"62348"	380.177271	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M-2H+NH4"	16.019271
"502639"	562.256271	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M-2H+NH4"	16.019271
"879106"	198.098271	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-2H+NH4"	16.019271
"46645"	385.132666	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M-2H+Na"	20.974666
"485225"	567.211666	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M-2H+Na"	20.974666
"862549"	203.053666	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-2H+Na"	20.974666
"1632447"	203.053666	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Na-2H"	20.974666
"107881"	199.060063	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M-H+Cl"	33.962126
"545253"	290.099563	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M-H+Cl"	33.962126
"940831"	108.020563	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-H+Cl"	33.962126
"278414"	399.127402	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+Cl"	34.969402
"662210"	581.206402	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+Cl"	34.969402
"1278865"	217.048402	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Cl"	34.969402
"17412"	401.106606	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M-2H+K"	36.948606
"467913"	583.185606	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M-2H+K"	36.948606
"834414"	219.027606	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-2H+K"	36.948606
"1555996"	219.027606	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+K-2H"	36.948606
"944688"	227.077194	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-H+HCOOH"	44.998194
"361496"	409.156201	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+HCOOH-H"	44.998201
"347029"	423.171851	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+Hac-H"	59.013851
"1492806"	241.092851	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Hac-H"	59.013851
"958524"	249.059151	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-H+NaCOOH"	66.980151
"111462"	217.048402	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+2Cl"	69.938804
"553821"	308.087902	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+2Cl"	69.938804
"1029181"	126.008902	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2Cl"	69.938804
"1246572"	260.997885	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Br"	78.918885
"1315582"	263.053872	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Cl+HCOOH"	80.974872
"1321168"	285.035829	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Cl+NaCOOH"	102.956829
"916482"	295.064586	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M-H+CF3COOH"	112.985586
"1290515"	331.041264	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Cl+CF3COOH"	148.962264
"1368435"	147.066324	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H-2H2O"	-35.012676
"1383292"	165.0763	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H-H2O"	-17.0027
"283035"	365.165276	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+H"	1.007276
"686067"	547.244276	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+H"	1.007276
"1359499"	183.086276	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H"	1.007276
"131295"	183.086276	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+2H"	2.014552
"570855"	274.125776	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+2H"	2.014552
"1048769"	92.046776	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2H"	2.014552
"209743"	122.393276	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+3H"	3.021828
"648574"	183.086276	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+3H"	3.021828
"1173994"	61.700276	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+3H"	3.021828
"437268"	382.191823	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+NH4"	18.033823
"798631"	564.270823	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+NH4"	18.033823
"1694965"	200.112823	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+NH4"	18.033823
"343973"	191.5995495	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+H+NH4"	19.041099
"736395"	282.6390495	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+H+NH4"	19.041099
"1488026"	100.5600495	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H+NH4"	19.041099
"407924"	387.147218	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+Na"	22.989218
"766246"	569.226218	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+Na"	22.989218
"1612518"	205.068218	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Na"	22.989218
"319273"	194.077247	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+H+Na"	23.996494
"713881"	285.116747	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+H+Na"	23.996494
"1472076"	103.037747	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H+Na"	23.996494
"1063501"	69.02759	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2H+Na"	25.00377
"1269190"	215.112486	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+CH3OH+H"	33.033486
"390315"	403.121158	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+K"	38.963158
"753134"	585.200158	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+K"	38.963158
"1554219"	221.042158	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+K"	38.963158
"313825"	202.064217	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+H+K"	39.970434
"706369"	293.103717	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+H+K"	39.970434
"1460187"	111.024717	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H+K"	39.970434
"245751"	406.191826	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+ACN+H"	42.033826
"1218825"	224.112826	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+ACN+H"	42.033826
"1202707"	112.560051	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+ACN+2H"	43.041102
"199589"	409.12916	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+2Na-H"	44.97116
"643160"	591.20816	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+2Na-H"	44.97116
"1142652"	227.05016	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2Na-H"	44.97116
"181934"	205.068218	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+2Na"	45.978436
"626599"	296.107718	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+2Na"	45.978436
"1125007"	114.028718	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2Na"	45.978436
"1408533"	76.354904	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H+2Na"	46.985712
"1444299"	229.091746	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H+HCOOH"	47.012746
"235377"	210.10124	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+3H2O+2H"	56.04448
"1523271"	243.14379	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+IsoProp+H"	61.06479
"423647"	213.055188	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+Na+K"	61.952376
"785292"	304.094688	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+Na+K"	61.952376
"1681023"	122.015688	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Na+K"	61.952376
"265953"	428.173768	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+ACN+Na"	64.015768
"1241132"	246.094768	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+ACN+Na"	64.015768
"1727925"	246.118293	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+NH4+HCOOH"	64.039293
"1194095"	83.682218	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+3Na"	68.967654
"1665117"	251.073688	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Na+HCOOH"	68.994688
"171480"	441.07704	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+2K-H"	76.91904
"609215"	623.15604	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+2K-H"	76.91904
"1099732"	258.99804	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2K-H"	76.91904
"156871"	221.042158	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"2M+2K"	77.926316
"593751"	312.081658	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"3M+2K"	77.926316
"1083369"	130.002658	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2K"	77.926316
"1108920"	261.012592	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2K+H"	78.933592
"1342389"	261.100207	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+DMSO+H"	79.021207
"1006785"	265.139376	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2ACN+H"	83.060376
"1526862"	266.133008	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+IsoProp+Na+H"	84.054008
"990757"	133.073326	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+2ACN+2H"	84.067652
"1599845"	267.047628	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+K+HCOOH"	84.968628
"1421132"	297.079138	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+H+CF3COOH"	115.000138
"1161142"	153.586601	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+3ACN+2H"	125.094202
"1703160"	314.105685	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+NH4+CF3COOH"	132.026685
"1636627"	319.06108	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+Na+CF3COOH"	136.98208
"1574465"	335.03502	"C01722"	"L-Glucitol;L-Sorbitol;D-Gulitol"	"C6H14O6"	"182.079"	"M+K+CF3COOH"	152.95602
"804830"	426.3862	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"981645"	407.36781	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"65514"	283.250190666667	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510540"	425.378924	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"885062"	141.121457333333	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"3637"	425.378924	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"445383"	638.572024	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"825372"	212.185824	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"88646"	851.765124	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"533196"	1278.151324	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"909300"	425.378924	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"61855"	868.791671	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"500567"	1295.177871	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"878608"	442.405471	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"46348"	873.747066	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"484124"	1300.133266	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"857553"	447.360866	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627084"	447.360866	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"104708"	443.367263	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"542081"	656.560363	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"937782"	230.174163	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"278527"	887.741802	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"668760"	1314.128002	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1282260"	461.355602	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"25910"	889.721006	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"463283"	1316.107206	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"834524"	463.334806	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1556549"	463.334806	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"945892"	471.384394	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"362155"	897.770601	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"347261"	911.786251	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1497919"	485.400051	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"964366"	493.366351	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119838"	461.355602	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"555024"	674.548702	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1023823"	248.162502	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1244494"	505.305085	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1309130"	507.361072	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1323345"	529.343029	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"915499"	539.371786	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1290142"	575.348464	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1369278"	391.373524	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1382904"	409.3835	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"296556"	853.779676	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"687635"	1280.165876	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1362889"	427.393476	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"134686"	427.393476	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"575340"	640.586576	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1049972"	214.200376	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"215323"	285.264742666667	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"654885"	427.393476	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1171918"	143.136009333333	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"438841"	870.806223	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"797281"	1297.192423	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1694706"	444.420023	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"342987"	435.9067495	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"737479"	649.0998495	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1489960"	222.7136495	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"406457"	875.761618	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"766355"	1302.147818	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1617127"	449.375418	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"328867"	438.384447	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"721285"	651.577547	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1474011"	225.191347	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1064340"	150.463323333333	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1270393"	459.419686	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"392089"	891.735558	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"753938"	1318.121758	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1553475"	465.349358	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"313696"	446.371417	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"702708"	659.564517	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1460987"	233.178317	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"250721"	894.806226	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1222214"	468.420026	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1205002"	234.713651	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"197874"	897.74356	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"639987"	1324.12976	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1140941"	471.35736	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"182043"	449.375418	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"623434"	662.568518	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1125114"	236.182318	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1410469"	157.790637333333	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1444659"	473.398946	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"234837"	454.40844	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1520711"	487.45099	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"422950"	457.362388	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"785537"	670.555488	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1681158"	244.169288	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"265703"	916.788168	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1238781"	490.401968	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1727427"	490.425493	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1192781"	165.117951333333	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1663279"	495.380888	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"171843"	929.69144	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"612492"	1356.07764	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1099443"	503.30524	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"156613"	465.349358	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"591676"	678.542458	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1080194"	252.156258	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1107211"	505.319792	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1339221"	505.407407	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1009942"	509.446576	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1530252"	510.440208	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"998892"	255.226926	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1591207"	511.354828	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1421242"	541.386338	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1158092"	275.740201	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1698168"	558.412885	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1634468"	563.36828	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584417"	579.34222	"C01724"	"Lanosterol;4414alpha-Trimethyl-5alpha-cholesta-824-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"804940"	342.1162	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M"	0
"978475"	323.09781	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"65988"	227.070190666667	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"507370"	341.108924	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"884079"	113.031457333333	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"3747"	341.108924	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443307"	512.167024	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"822203"	170.050824	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"87663"	683.225124	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"534159"	1025.341324	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"911073"	341.108924	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"61471"	700.251671	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"501762"	1042.367871	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"878595"	358.135471	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"46943"	705.207066	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"485327"	1047.323266	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"859849"	363.090866	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1626101"	363.090866	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"107004"	359.097263	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"544377"	530.155363	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"940079"	188.039163	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"279730"	719.201802	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"668870"	1061.318002	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1283463"	377.085602	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"26020"	721.181006	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"463393"	1063.297206	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"835727"	379.064806	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1556660"	379.064806	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"946002"	387.114394	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"361735"	729.230601	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"347735"	743.246251	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1498029"	401.130051	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"964476"	409.096351	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"119948"	377.085602	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"555134"	548.143702	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1023933"	206.027502	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1244605"	421.035085	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1310334"	423.091072	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1325642"	445.073029	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"911958"	455.101786	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1288785"	491.078464	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1372668"	307.103524	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383074"	325.1135	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"298518"	685.239676	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"686654"	1027.355876	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1359719"	343.123476	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"134796"	343.123476	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"575086"	514.181576	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1048990"	172.065376	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"215069"	229.084742666667	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"652809"	343.123476	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1172028"	115.046009333333	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"437487"	702.266223	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"794108"	1044.382423	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1692627"	360.150023	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"338718"	351.6367495	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"734425"	522.6948495	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1486058"	180.5786495	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"407657"	707.221618	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"763549"	1049.337818	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1611645"	365.105418	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"323870"	354.114447	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"717386"	525.172547	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1473392"	183.056347	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1066636"	122.373323333333	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1269410"	375.149686	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"391631"	723.195558	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"752628"	1065.311758	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1551032"	381.079358	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"312585"	362.101417	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"701723"	533.159517	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1458826"	191.043317	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"248519"	726.266226	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1222322"	384.150026	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1202926"	192.578651	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"199443"	729.20356	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"641190"	1071.31976	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1142144"	387.08736	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"182153"	365.105418	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"625000"	536.163518	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1121945"	194.047318	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1410943"	129.700637333333	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1444525"	389.128946	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"232395"	370.13844	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1521185"	403.18099	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"423059"	373.092388	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"785153"	544.150488	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1680021"	202.034288	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"264720"	748.248168	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1241134"	406.131968	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1728230"	406.155493	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1193864"	137.027951333333	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1665500"	411.110888	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"172481"	761.15144	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"609802"	1103.26764	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1099798"	419.03524	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"155139"	381.079358	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"591786"	552.137458	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1077388"	210.021258	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1108414"	421.049792	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1340424"	421.137407	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1008959"	425.176576	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1530362"	426.170208	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"999002"	213.091926	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1591317"	427.084828	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1421352"	457.116338	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1158202"	233.605201	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1699007"	474.142885	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1634307"	479.09828	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1584527"	495.07222	"C01725"	"Levanbiose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"805050"	270.0729	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M"	0
"981866"	251.05451	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H2O-H"	-19.01839
"67921"	179.041324	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-3H"	-3.021828
"507480"	269.065624	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-3H"	-3.021828
"884190"	89.017024	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-3H"	-3.021828
"7139"	269.065624	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H"	-2.014552
"444511"	404.102074	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H"	-2.014552
"822313"	134.029174	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H"	-2.014552
"85586"	539.138524	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-H"	-1.007276
"531592"	809.211424	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-H"	-1.007276
"907327"	269.065624	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H"	-1.007276
"59515"	556.165071	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H+NH4"	16.019271
"499075"	826.237971	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H+NH4"	16.019271
"876877"	286.092171	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H+NH4"	16.019271
"45750"	561.120466	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H+Na"	20.974666
"483982"	831.193366	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H+Na"	20.974666
"858868"	291.047566	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H+Na"	20.974666
"1629494"	291.047566	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na-2H"	20.974666
"106022"	287.053963	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-H+Cl"	33.962126
"546675"	422.090413	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-H+Cl"	33.962126
"934722"	152.017513	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+Cl"	33.962126
"278746"	575.115202	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Cl"	34.969402
"668980"	845.188102	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+Cl"	34.969402
"1284666"	305.042302	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl"	34.969402
"28317"	577.094406	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H+K"	36.948606
"460223"	847.167306	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H+K"	36.948606
"838024"	307.021506	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H+K"	36.948606
"1560417"	307.021506	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K-2H"	36.948606
"947206"	315.071094	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+HCOOH"	44.998194
"362016"	585.144001	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+HCOOH-H"	44.998201
"347845"	599.159651	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Hac-H"	59.013851
"1498139"	329.086751	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Hac-H"	59.013851
"963493"	337.053051	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+NaCOOH"	66.980151
"114590"	305.042302	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2Cl"	69.938804
"555244"	440.078752	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2Cl"	69.938804
"1027324"	170.005852	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2Cl"	69.938804
"1244715"	348.991785	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Br"	78.918885
"1308623"	351.047772	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl+HCOOH"	80.974872
"1323565"	373.029729	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl+NaCOOH"	102.956829
"911661"	383.058486	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+CF3COOH"	112.985586
"1289141"	419.035164	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl+CF3COOH"	148.962264
"1367668"	235.060224	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H-2H2O"	-35.012676
"1384805"	253.0702	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H-H2O"	-17.0027
"296533"	541.153076	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H"	1.007276
"685668"	811.225976	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H"	1.007276
"1362019"	271.080176	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H"	1.007276
"136366"	271.080176	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2H"	2.014552
"575196"	406.116626	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2H"	2.014552
"1049828"	136.043726	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2H"	2.014552
"217366"	181.055876	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+3H"	3.021828
"652919"	271.080176	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+3H"	3.021828
"1175418"	91.031576	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+3H"	3.021828
"437597"	558.179623	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+NH4"	18.033823
"797498"	828.252523	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+NH4"	18.033823
"1693469"	288.106723	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+NH4"	18.033823
"342115"	279.5934495	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H+NH4"	19.041099
"733444"	414.6298995	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H+NH4"	19.041099
"1483984"	144.5569995	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+NH4"	19.041099
"405945"	563.135018	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Na"	22.989218
"766939"	833.207918	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+Na"	22.989218
"1608475"	293.062118	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na"	22.989218
"322885"	282.071147	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H+Na"	23.996494
"719318"	417.107597	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H+Na"	23.996494
"1472410"	147.034697	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+Na"	23.996494
"1063466"	98.35889	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2H+Na"	25.00377
"1266240"	303.106386	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+CH3OH+H"	33.033486
"389188"	579.108958	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+K"	38.963158
"750184"	849.181858	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+K"	38.963158
"1551142"	309.036058	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K"	38.963158
"311963"	290.058117	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H+K"	39.970434
"699647"	425.094567	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H+K"	39.970434
"1457478"	155.021667	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+K"	39.970434
"247172"	582.179626	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+ACN+H"	42.033826
"1220975"	312.106726	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+ACN+H"	42.033826
"1201943"	156.557001	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+ACN+2H"	43.041102
"194814"	585.11696	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2Na-H"	44.97116
"638748"	855.18986	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2Na-H"	44.97116
"1141161"	315.04406	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2Na-H"	44.97116
"180078"	293.062118	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2Na"	45.978436
"624746"	428.098568	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2Na"	45.978436
"1127159"	158.025668	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2Na"	45.978436
"1412883"	105.686204	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+2Na"	46.985712
"1444268"	317.085646	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+HCOOH"	47.012746
"234331"	298.09514	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+3H2O+2H"	56.04448
"1523895"	331.13769	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+IsoProp+H"	61.06479
"424242"	301.049088	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Na+K"	61.952376
"785599"	436.085538	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+Na+K"	61.952376
"1680582"	166.012638	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na+K"	61.952376
"265559"	604.161568	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+ACN+Na"	64.015768
"1240581"	334.088668	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+ACN+Na"	64.015768
"1727641"	334.112193	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+NH4+HCOOH"	64.039293
"1194056"	113.013518	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+3Na"	68.967654
"1665205"	339.067588	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na+HCOOH"	68.994688
"172711"	617.06484	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2K-H"	76.91904
"611614"	887.13774	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2K-H"	76.91904
"1099776"	346.99194	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2K-H"	76.91904
"154520"	309.036058	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2K"	77.926316
"592987"	444.072508	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2K"	77.926316
"1077498"	173.999608	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2K"	77.926316
"1113993"	349.006492	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2K+H"	78.933592
"1349285"	349.094107	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+DMSO+H"	79.021207
"1010162"	353.133276	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2ACN+H"	83.060376
"1528285"	354.126908	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+IsoProp+Na+H"	84.054008
"999112"	177.070276	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2ACN+2H"	84.067652
"1594708"	355.041528	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K+HCOOH"	84.968628
"1428023"	385.073038	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+CF3COOH"	115.000138
"1158312"	197.583551	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+3ACN+2H"	125.094202
"1703488"	402.099585	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+NH4+CF3COOH"	132.026685
"1638046"	407.05498	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na+CF3COOH"	136.98208
"1584637"	423.02892	"C01726"	"D-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K+CF3COOH"	152.95602
"805160"	242.0804	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M"	0
"978695"	223.06201	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-H2O-H"	-19.01839
"65843"	160.379657333333	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M-3H"	-3.021828
"506496"	241.073124	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M-3H"	-3.021828
"880652"	79.6861906666667	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-3H"	-3.021828
"7248"	241.073124	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M-2H"	-2.014552
"443527"	362.113324	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M-2H"	-2.014552
"822423"	120.032924	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-2H"	-2.014552
"84601"	483.153524	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M-H"	-1.007276
"528541"	725.233924	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M-H"	-1.007276
"908530"	241.073124	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-H"	-1.007276
"58531"	500.180071	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M-2H+NH4"	16.019271
"501007"	742.260471	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M-2H+NH4"	16.019271
"873706"	258.099671	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-2H+NH4"	16.019271
"43796"	505.135466	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M-2H+Na"	20.974666
"482999"	747.215866	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M-2H+Na"	20.974666
"858978"	263.055066	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-2H+Na"	20.974666
"1628510"	263.055066	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Na-2H"	20.974666
"106132"	259.061463	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M-H+Cl"	33.962126
"546785"	380.101663	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M-H+Cl"	33.962126
"934832"	138.021263	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-H+Cl"	33.962126
"278856"	519.130202	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+Cl"	34.969402
"669090"	761.210602	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+Cl"	34.969402
"1277122"	277.049802	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Cl"	34.969402
"22960"	521.109406	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M-2H+K"	36.948606
"460333"	763.189806	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M-2H+K"	36.948606
"838134"	279.029006	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-2H+K"	36.948606
"1559434"	279.029006	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+K-2H"	36.948606
"946223"	287.078594	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-H+HCOOH"	44.998194
"361649"	529.159001	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+HCOOH-H"	44.998201
"347590"	543.174651	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+Hac-H"	59.013851
"1496063"	301.094251	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Hac-H"	59.013851
"961417"	309.060551	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-H+NaCOOH"	66.980151
"114700"	277.049802	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+2Cl"	69.938804
"555354"	398.090002	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+2Cl"	69.938804
"1027434"	156.009602	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2Cl"	69.938804
"1244825"	320.999285	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Br"	78.918885
"1311650"	323.055272	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Cl+HCOOH"	80.974872
"1324769"	345.037229	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Cl+NaCOOH"	102.956829
"911441"	355.065986	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M-H+CF3COOH"	112.985586
"1288580"	391.042664	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Cl+CF3COOH"	148.962264
"1368507"	207.067724	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H-2H2O"	-35.012676
"1383819"	225.0777	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H-H2O"	-17.0027
"296279"	485.168076	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+H"	1.007276
"687967"	727.248476	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+H"	1.007276
"1365046"	243.087676	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H"	1.007276
"136476"	243.087676	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+2H"	2.014552
"577130"	364.127876	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+2H"	2.014552
"1048481"	122.047476	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2H"	2.014552
"217112"	162.394209333333	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+3H"	3.021828
"653027"	243.087676	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+3H"	3.021828
"1166779"	81.7007426666667	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+3H"	3.021828
"434426"	502.194623	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+NH4"	18.033823
"792140"	744.275023	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+NH4"	18.033823
"1691755"	260.114223	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+NH4"	18.033823
"342225"	251.6009495	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+H+NH4"	19.041099
"733554"	372.6411495	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+H+NH4"	19.041099
"1484094"	130.5607495	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H+NH4"	19.041099
"406784"	507.150018	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+Na"	22.989218
"763769"	749.230418	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+Na"	22.989218
"1610770"	265.069618	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Na"	22.989218
"320810"	254.078647	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+H+Na"	23.996494
"716512"	375.118847	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+H+Na"	23.996494
"1471428"	133.038447	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H+Na"	23.996494
"1063576"	89.0280566666667	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2H+Na"	25.00377
"1263070"	275.113886	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+CH3OH+H"	33.033486
"389299"	523.123958	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+K"	38.963158
"749202"	765.204358	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+K"	38.963158
"1550888"	281.043558	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+K"	38.963158
"309522"	262.065617	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+H+K"	39.970434
"697571"	383.105817	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+H+K"	39.970434
"1460019"	141.025417	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H+K"	39.970434
"246554"	526.194626	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+ACN+H"	42.033826
"1222908"	284.114226	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+ACN+H"	42.033826
"1205333"	142.560751	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+ACN+2H"	43.041102
"198934"	529.13196	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+2Na-H"	44.97116
"640681"	771.21236	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+2Na-H"	44.97116
"1143458"	287.05156	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2Na-H"	44.97116
"182376"	265.069618	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+2Na"	45.978436
"623034"	386.109818	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+2Na"	45.978436
"1124353"	144.029418	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2Na"	45.978436
"1412386"	96.3553706666667	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H+2Na"	46.985712
"1443892"	289.093146	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H+HCOOH"	47.012746
"234684"	270.10264	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+3H2O+2H"	56.04448
"1523922"	303.14519	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+IsoProp+H"	61.06479
"424196"	273.056588	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+Na+K"	61.952376
"785250"	394.096788	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+Na+K"	61.952376
"1680489"	152.016388	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Na+K"	61.952376
"265547"	548.176568	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+ACN+Na"	64.015768
"1240690"	306.096168	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+ACN+Na"	64.015768
"1727264"	306.119693	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+NH4+HCOOH"	64.039293
"1191888"	103.682684666667	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+3Na"	68.967654
"1664332"	311.075088	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Na+HCOOH"	68.994688
"172823"	561.07984	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+2K-H"	76.91904
"612213"	803.16024	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+2K-H"	76.91904
"1099399"	318.99944	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2K-H"	76.91904
"155847"	281.043558	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"2M+2K"	77.926316
"589817"	402.083758	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"3M+2K"	77.926316
"1076514"	160.003358	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2K"	77.926316
"1110823"	321.013992	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2K+H"	78.933592
"1349395"	321.101607	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+DMSO+H"	79.021207
"1010272"	325.140776	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2ACN+H"	83.060376
"1530582"	326.134408	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+IsoProp+Na+H"	84.054008
"995942"	163.074026	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+2ACN+2H"	84.067652
"1590444"	327.049028	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+K+HCOOH"	84.968628
"1428133"	357.080538	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+H+CF3COOH"	115.000138
"1158422"	183.587301	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+3ACN+2H"	125.094202
"1703598"	374.107085	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+NH4+CF3COOH"	132.026685
"1639249"	379.06248	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+Na+CF3COOH"	136.98208
"1584747"	395.03642	"C01727"	"Lumichrome;78-Dimethylalloxazine"	"C12H10N4O2"	"242.0804"	"M+K+CF3COOH"	152.95602
"805270"	342.1162	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M"	0
"976618"	323.09781	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"65953"	227.070190666667	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"506606"	341.108924	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"880396"	113.031457333333	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"7358"	341.108924	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"444730"	512.167024	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"819252"	170.050824	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"84711"	683.225124	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"525371"	1025.341324	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"906453"	341.108924	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"55360"	700.251671	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"493825"	1042.367871	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"871629"	358.135471	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"41720"	705.207066	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"481286"	1047.323266	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"857995"	363.090866	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1629712"	363.090866	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"106242"	359.097263	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"546896"	530.155363	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"938222"	188.039163	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"277873"	719.201802	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"668107"	1061.318002	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1276139"	377.085602	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"23070"	721.181006	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"460443"	1063.297206	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"834964"	379.064806	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1559544"	379.064806	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"945240"	387.114394	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"361489"	729.230601	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"347701"	743.246251	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1496901"	401.130051	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"962255"	409.096351	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"114810"	377.085602	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"553276"	548.143702	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1026451"	206.027502	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1244935"	421.035085	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1311760"	423.091072	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1325972"	445.073029	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"912286"	455.101786	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1289725"	491.078464	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1370804"	307.103524	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383566"	325.1135	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"297482"	685.239676	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"688805"	1027.355876	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1364063"	343.123476	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"137314"	343.123476	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"575417"	514.181576	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1046767"	172.065376	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"215399"	229.084742666667	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"649857"	343.123476	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1170169"	115.046009333333	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"435265"	702.266223	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"790062"	1044.382423	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1689677"	360.150023	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"342335"	351.6367495	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"732570"	522.6948495	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1485297"	180.5786495	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"403978"	707.221618	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"761692"	1049.337818	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1610880"	365.105418	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"319827"	354.114447	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"716622"	525.172547	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1469350"	183.056347	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1063686"	122.373323333333	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1267551"	375.149686	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"389772"	723.195558	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"749677"	1065.311758	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1550998"	381.079358	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"309996"	362.101417	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"700597"	533.159517	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1460742"	191.043317	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"247028"	726.266226	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1221925"	384.150026	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1205443"	192.578651	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"199044"	729.20356	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"638968"	1071.31976	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1142475"	387.08736	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"180298"	365.105418	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"623144"	536.163518	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1122277"	194.047318	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1411275"	129.700637333333	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1443394"	389.128946	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"233454"	370.13844	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1523999"	403.18099	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"424169"	373.092388	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"785241"	544.150488	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1680841"	202.034288	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"264684"	748.248168	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1240677"	406.131968	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1727011"	406.155493	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1191999"	137.027951333333	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1664322"	411.110888	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"172729"	761.15144	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"611713"	1103.26764	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1099509"	419.03524	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"152553"	381.079358	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"586647"	552.137458	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1082090"	210.021258	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1112026"	421.049792	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1350236"	421.137407	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1010382"	425.176576	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1531785"	426.170208	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"996052"	213.091926	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1589096"	427.084828	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1428243"	457.116338	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1158532"	233.605201	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1700428"	474.142885	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1636080"	479.09828	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1584857"	495.07222	"C01728"	"Mannobiose;alpha-16-Mannobiose;alpha-D-Manp-(1-6)-D-Manp"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"805380"	270.0892	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M"	0
"978916"	251.07081	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"67156"	179.052190666667	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"507080"	269.081924	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"882332"	89.0224573333333	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"7468"	269.081924	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"443747"	404.126524	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"820455"	134.037324	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"82998"	539.171124	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"523292"	809.260324	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"904377"	269.081924	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"56562"	556.197671	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"495028"	826.286871	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"871739"	286.108471	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"40737"	561.153066	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"481395"	831.242266	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"858105"	291.063866	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1629822"	291.063866	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"106352"	287.070263	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"548828"	422.114863	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"936145"	152.025663	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"277983"	575.147802	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"668217"	845.237002	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1275519"	305.058602	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"23180"	577.127006	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"460553"	847.216206	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"836167"	307.037806	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1560747"	307.037806	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"945350"	315.087394	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"362100"	585.176601	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"348539"	599.192251	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1496282"	329.103051	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"962365"	337.069351	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"114920"	305.058602	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"552657"	440.103202	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1026561"	170.014002	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1245045"	349.008085	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1312234"	351.064072	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1324260"	373.046029	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"912399"	383.074786	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1289468"	419.051464	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1370916"	235.076524	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1383674"	253.0865	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"293577"	541.185676	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"680529"	811.274876	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1364899"	271.096476	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"135236"	271.096476	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"571515"	406.141076	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1039220"	136.051876	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"210405"	181.066742666667	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"646320"	271.096476	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1165536"	91.0370093333333	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"428084"	558.212223	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"789438"	828.301423	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1684314"	288.123023	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"341348"	279.6097495	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"733773"	414.6543495	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1488685"	144.5651495	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"404088"	563.167618	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"759979"	833.256818	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1608803"	293.078418	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"319933"	282.087447	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"718915"	417.132047	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1471646"	147.042847	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1063796"	98.3643233333333	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1267661"	303.122686	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"388423"	579.141558	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"752700"	849.230758	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1551472"	309.052358	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"310834"	290.074417	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"699978"	425.119017	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1459994"	155.029817	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"250540"	582.212226	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1223856"	312.123026	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1205553"	156.565151	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"196237"	585.14956	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"634704"	855.23876	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1139305"	315.06036	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"181501"	293.078418	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"622161"	428.123018	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1122387"	158.033818	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1412115"	105.691637333333	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1444232"	317.101946	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"232105"	298.11144	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1523211"	331.15399	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"422406"	301.065388	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"783765"	436.109988	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1679614"	166.020788	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"264797"	604.194168	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1240295"	334.104968	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1727116"	334.128493	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1191741"	113.018951333333	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1665161"	339.083888	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"171901"	617.09744	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"612665"	887.18664	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1098767"	347.00824	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"151570"	309.052358	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"585663"	444.096958	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1073454"	174.007758	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1112136"	349.022792	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1350953"	349.110407	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1010492"	353.149576	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1531895"	354.143208	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"992877"	177.078426	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1587746"	355.057828	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1428353"	385.089338	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1158642"	197.591701	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1699444"	402.115885	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1635097"	407.07128	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1584967"	423.04522	"C01729"	"()-Medicarpin;3-Hydroxy-9-methoxypterocarpan"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"804397"	130.0266	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M"	0
"976838"	111.00821	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-H2O-H"	-19.01839
"66174"	85.677124	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M-3H"	-3.021828
"504641"	129.019324	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M-3H"	-3.021828
"882443"	42.334924	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-3H"	-3.021828
"772"	129.019324	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M-2H"	-2.014552
"440941"	194.032624	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M-2H"	-2.014552
"819837"	64.006024	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-2H"	-2.014552
"83109"	259.045924	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M-H"	-1.007276
"527776"	389.072524	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M-H"	-1.007276
"898650"	129.019324	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-H"	-1.007276
"55577"	276.072471	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M-2H+NH4"	16.019271
"496235"	406.099071	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M-2H+NH4"	16.019271
"871847"	146.045871	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-2H+NH4"	16.019271
"35370"	281.027866	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M-2H+Na"	20.974666
"483331"	411.054466	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M-2H+Na"	20.974666
"859306"	151.001266	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-2H+Na"	20.974666
"1627746"	151.001266	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Na-2H"	20.974666
"106461"	147.007663	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M-H+Cl"	33.962126
"544929"	212.020963	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M-H+Cl"	33.962126
"935163"	81.994363	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-H+Cl"	33.962126
"275907"	295.022602	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+Cl"	34.969402
"663954"	425.049202	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+Cl"	34.969402
"1274170"	164.996002	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Cl"	34.969402
"28394"	297.001806	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M-2H+K"	36.948606
"463944"	427.028406	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M-2H+K"	36.948606
"837370"	166.975206	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-2H+K"	36.948606
"1558305"	166.975206	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+K-2H"	36.948606
"945459"	175.024794	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-H+HCOOH"	44.998194
"366958"	305.051401	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+HCOOH-H"	44.998201
"347919"	319.067051	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+Hac-H"	59.013851
"1495657"	189.040451	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Hac-H"	59.013851
"970498"	197.006751	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-H+NaCOOH"	66.980151
"120499"	164.996002	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+2Cl"	69.938804
"556049"	230.009302	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+2Cl"	69.938804
"1029952"	99.982702	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2Cl"	69.938804
"1244427"	208.945485	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Br"	78.918885
"1306874"	211.001472	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Cl+HCOOH"	80.974872
"1320600"	232.983429	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Cl+NaCOOH"	102.956829
"912267"	243.012186	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M-H+CF3COOH"	112.985586
"1291042"	278.988864	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Cl+CF3COOH"	148.962264
"1369933"	95.013924	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H-2H2O"	-35.012676
"1386340"	113.0239	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H-H2O"	-17.0027
"293323"	261.060476	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+H"	1.007276
"689758"	391.087076	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+H"	1.007276
"1364284"	131.033876	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H"	1.007276
"130972"	131.033876	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+2H"	2.014552
"568710"	196.047176	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+2H"	2.014552
"1048448"	66.020576	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2H"	2.014552
"214526"	87.691676	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+3H"	3.021828
"648984"	131.033876	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+3H"	3.021828
"1167110"	44.349476	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+3H"	3.021828
"429289"	278.087023	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+NH4"	18.033823
"789189"	408.113623	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+NH4"	18.033823
"1688802"	148.060423	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+NH4"	18.033823
"335991"	139.5471495	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+H+NH4"	19.041099
"727320"	204.5604495	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+H+NH4"	19.041099
"1484421"	74.5338495	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H+NH4"	19.041099
"402009"	283.042418	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+Na"	22.989218
"761909"	413.069018	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+Na"	22.989218
"1611101"	153.015818	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Na"	22.989218
"322231"	142.024847	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+H+Na"	23.996494
"719026"	207.038147	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+H+Na"	23.996494
"1471754"	77.011547	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H+Na"	23.996494
"1062814"	51.67679	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2H+Na"	25.00377
"1266678"	163.060086	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+CH3OH+H"	33.033486
"387441"	299.016358	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+K"	38.963158
"752808"	429.042958	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+K"	38.963158
"1551583"	168.989758	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+K"	38.963158
"310580"	150.011817	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+H+K"	39.970434
"702274"	215.025117	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+H+K"	39.970434
"1458282"	84.998517	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H+K"	39.970434
"243603"	302.087026	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+ACN+H"	42.033826
"1216314"	172.060426	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+ACN+H"	42.033826
"1203477"	86.533851	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+ACN+2H"	43.041102
"198534"	305.02436	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+2Na-H"	44.97116
"640283"	435.05096	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+2Na-H"	44.97116
"1138322"	174.99776	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2Na-H"	44.97116
"183798"	153.015818	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+2Na"	45.978436
"622272"	218.029118	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+2Na"	45.978436
"1124685"	88.002518	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2Na"	45.978436
"1413655"	59.004104	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H+2Na"	46.985712
"1443252"	177.039346	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H+HCOOH"	47.012746
"230028"	158.04884	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+3H2O+2H"	56.04448
"1521738"	191.09139	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+H"	61.06479
"421057"	161.002788	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+Na+K"	61.952376
"780958"	226.016088	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+Na+K"	61.952376
"1678381"	95.989488	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Na+K"	61.952376
"261619"	324.068968	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+ACN+Na"	64.015768
"1238708"	194.042368	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+ACN+Na"	64.015768
"1726136"	194.065893	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+NH4+HCOOH"	64.039293
"1192582"	66.331418	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+3Na"	68.967654
"1664298"	199.021288	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Na+HCOOH"	68.994688
"169696"	336.97224	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+2K-H"	76.91904
"608164"	466.99884	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+2K-H"	76.91904
"1093771"	206.94564	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2K-H"	76.91904
"149495"	168.989758	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"2M+2K"	77.926316
"591240"	234.003058	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"3M+2K"	77.926316
"1074659"	103.976458	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2K"	77.926316
"1111153"	208.960192	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2K+H"	78.933592
"1349727"	209.047807	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+DMSO+H"	79.021207
"1009508"	213.086976	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2ACN+H"	83.060376
"1526905"	214.080608	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+Na+H"	84.054008
"990558"	107.047126	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+2ACN+2H"	84.067652
"1589316"	214.995228	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+K+HCOOH"	84.968628
"1421903"	245.026738	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+H+CF3COOH"	115.000138
"1155472"	127.560401	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+3ACN+2H"	125.094202
"1698463"	262.053285	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+NH4+CF3COOH"	132.026685
"1635207"	267.00868	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+Na+CF3COOH"	136.98208
"1585077"	282.98262	"C01732"	"Mesaconate;2-Methylfumarate;Mesaconic acid;Methylfumaric acid;(E)-2-Methyl-2-butenedioic acid"	"C5H6O4"	"130.0266"	"M+K+CF3COOH"	152.95602
"808885"	149.051	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M"	0
"976948"	130.03261	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H2O-H"	-19.01839
"65190"	98.3600573333333	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-3H"	-3.021828
"503655"	148.043724	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-3H"	-3.021828
"883645"	48.6763906666667	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-3H"	-3.021828
"1855"	148.043724	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H"	-2.014552
"442509"	222.569224	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H"	-2.014552
"817878"	73.518224	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H"	-2.014552
"79694"	297.094724	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-H"	-1.007276
"525699"	446.145724	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-H"	-1.007276
"902408"	148.043724	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H"	-1.007276
"56782"	314.121271	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+NH4"	16.019271
"498531"	463.172271	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+NH4"	16.019271
"875238"	165.070271	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H+NH4"	16.019271
"37670"	319.076666	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+Na"	20.974666
"484895"	468.127666	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+Na"	20.974666
"859416"	170.025666	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H+Na"	20.974666
"1630044"	170.025666	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na-2H"	20.974666
"109488"	166.032063	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-H+Cl"	33.962126
"547227"	240.557563	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-H+Cl"	33.962126
"941472"	91.506563	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+Cl"	33.962126
"276018"	333.071402	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Cl"	34.969402
"666254"	482.122402	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+Cl"	34.969402
"1283765"	184.020402	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl"	34.969402
"26681"	335.050606	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M-2H+K"	36.948606
"460774"	484.101606	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M-2H+K"	36.948606
"841855"	185.999606	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-2H+K"	36.948606
"1565341"	185.999606	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K-2H"	36.948606
"947026"	194.049194	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+HCOOH"	44.998194
"361836"	343.100201	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+HCOOH-H"	44.998201
"347302"	357.115851	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Hac-H"	59.013851
"1496500"	208.064851	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Hac-H"	59.013851
"971701"	216.031151	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+NaCOOH"	66.980151
"117330"	184.020402	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2Cl"	69.938804
"556889"	258.545902	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2Cl"	69.938804
"1028240"	109.494902	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2Cl"	69.938804
"1243079"	227.969885	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Br"	78.918885
"1305891"	230.025872	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+HCOOH"	80.974872
"1320226"	252.007829	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+NaCOOH"	102.956829
"912623"	262.036586	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M-H+CF3COOH"	112.985586
"1289936"	298.013264	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Cl+CF3COOH"	148.962264
"1370047"	114.038324	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H-2H2O"	-35.012676
"1389734"	132.0483	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H-H2O"	-17.0027
"296351"	299.109276	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H"	1.007276
"690596"	448.160276	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H"	1.007276
"1365487"	150.058276	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H"	1.007276
"135094"	150.058276	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2H"	2.014552
"581059"	224.583776	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2H"	2.014552
"1046005"	75.532776	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2H"	2.014552
"208437"	100.374609333333	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+3H"	3.021828
"648001"	150.058276	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+3H"	3.021828
"1163929"	50.6909426666667	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+3H"	3.021828
"425378"	316.135823	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+NH4"	18.033823
"791485"	465.186823	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+NH4"	18.033823
"1687824"	167.084823	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+NH4"	18.033823
"335009"	158.5715495	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H+NH4"	19.041099
"727430"	233.0970495	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H+NH4"	19.041099
"1480883"	84.0460495	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+NH4"	19.041099
"395916"	321.091218	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Na"	22.989218
"763112"	470.142218	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+Na"	22.989218
"1605740"	172.040218	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na"	22.989218
"317965"	161.049247	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H+Na"	23.996494
"716950"	235.574747	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H+Na"	23.996494
"1470771"	86.523747	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+Na"	23.996494
"1064016"	58.0182566666667	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2H+Na"	25.00377
"1266787"	182.084486	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+CH3OH+H"	33.033486
"385362"	337.065158	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+K"	38.963158
"747450"	486.116158	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+K"	38.963158
"1553516"	188.014158	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K"	38.963158
"307777"	169.036217	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+H+K"	39.970434
"701292"	243.561717	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+H+K"	39.970434
"1451832"	94.510717	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+K"	39.970434
"238248"	340.135826	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+ACN+H"	42.033826
"1210957"	191.084826	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+H"	42.033826
"1201401"	96.046051	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+2H"	43.041102
"194272"	343.07316	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2Na-H"	44.97116
"637112"	492.12416	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2Na-H"	44.97116
"1139529"	194.02216	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2Na-H"	44.97116
"185738"	172.040218	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2Na"	45.978436
"627122"	246.565718	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2Na"	45.978436
"1130768"	97.514718	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2Na"	45.978436
"1413192"	65.3455706666667	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+2Na"	46.985712
"1445067"	196.063746	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+HCOOH"	47.012746
"234763"	177.07324	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+3H2O+2H"	56.04448
"1522210"	210.11579	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+IsoProp+H"	61.06479
"422264"	180.027188	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+Na+K"	61.952376
"783620"	254.552688	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+Na+K"	61.952376
"1679952"	105.501688	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na+K"	61.952376
"263918"	362.117768	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+ACN+Na"	64.015768
"1240642"	213.066768	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+ACN+Na"	64.015768
"1728068"	213.090293	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+NH4+HCOOH"	64.039293
"1188681"	72.6728846666667	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+3Na"	68.967654
"1665262"	218.045688	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na+HCOOH"	68.994688
"170901"	375.02104	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2K-H"	76.91904
"608275"	524.07204	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2K-H"	76.91904
"1093881"	225.97004	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2K-H"	76.91904
"147417"	188.014158	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"2M+2K"	77.926316
"585883"	262.539658	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"3M+2K"	77.926316
"1082683"	113.488658	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2K"	77.926316
"1114920"	227.984592	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2K+H"	78.933592
"1339997"	228.072207	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+DMSO+H"	79.021207
"1017276"	232.111376	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2ACN+H"	83.060376
"1533216"	233.105008	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+IsoProp+Na+H"	84.054008
"996383"	116.559326	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+2ACN+2H"	84.067652
"1601098"	234.019628	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K+HCOOH"	84.968628
"1418733"	264.051138	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+H+CF3COOH"	115.000138
"1151209"	137.072601	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+3ACN+2H"	125.094202
"1702950"	281.077685	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+NH4+CF3COOH"	132.026685
"1640788"	286.03308	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+Na+CF3COOH"	136.98208
"1585187"	302.00702	"C01733"	"Methionine;2-Amino-4-(methylthio)butyric acid"	"C5H11NO2S"	"149.051"	"M+K+CF3COOH"	152.95602
"812275"	283.1208	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M"	0
"977058"	264.10241	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-H2O-H"	-19.01839
"64207"	187.739924	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M-3H"	-3.021828
"502825"	282.113524	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M-3H"	-3.021828
"882662"	93.366324	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-3H"	-3.021828
"2331"	282.113524	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M-2H"	-2.014552
"445172"	423.673924	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M-2H"	-2.014552
"817623"	140.553124	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-2H"	-2.014552
"78871"	565.234324	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M-H"	-1.007276
"525809"	848.355124	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M-H"	-1.007276
"902518"	282.113524	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-H"	-1.007276
"51426"	582.260871	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M-2H+NH4"	16.019271
"498641"	865.381671	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M-2H+NH4"	16.019271
"874255"	299.140071	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-2H+NH4"	16.019271
"35594"	587.216266	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M-2H+Na"	20.974666
"485005"	870.337066	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M-2H+Na"	20.974666
"857339"	304.095466	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-2H+Na"	20.974666
"1631247"	304.095466	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Na-2H"	20.974666
"108869"	300.101863	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M-H+Cl"	33.962126
"546244"	441.662263	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M-H+Cl"	33.962126
"941218"	158.541463	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-H+Cl"	33.962126
"276128"	601.211002	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+Cl"	34.969402
"667457"	884.331802	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+Cl"	34.969402
"1284239"	318.090202	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Cl"	34.969402
"26791"	603.190206	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M-2H+K"	36.948606
"464164"	886.311006	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M-2H+K"	36.948606
"841965"	320.069406	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-2H+K"	36.948606
"1564358"	320.069406	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+K-2H"	36.948606
"944708"	328.118994	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-H+HCOOH"	44.998194
"362070"	611.239801	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+HCOOH-H"	44.998201
"347412"	625.255451	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+Hac-H"	59.013851
"1494423"	342.134651	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Hac-H"	59.013851
"967436"	350.100951	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-H+NaCOOH"	66.980151
"117440"	318.090202	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+2Cl"	69.938804
"553352"	459.650602	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+2Cl"	69.938804
"1024339"	176.529802	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2Cl"	69.938804
"1242460"	362.039685	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Br"	78.918885
"1306728"	364.095672	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Cl+HCOOH"	80.974872
"1320456"	386.077629	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Cl+NaCOOH"	102.956829
"911678"	396.106386	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M-H+CF3COOH"	112.985586
"1289803"	432.083064	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Cl+CF3COOH"	148.962264
"1369793"	248.108124	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H-2H2O"	-35.012676
"1388751"	266.1181	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H-H2O"	-17.0027
"296097"	567.248876	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+H"	1.007276
"690828"	850.369676	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+H"	1.007276
"1365597"	284.128076	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H"	1.007276
"134840"	284.128076	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+2H"	2.014552
"579750"	425.688476	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+2H"	2.014552
"1046115"	142.567676	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2H"	2.014552
"208547"	189.754476	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+3H"	3.021828
"647018"	284.128076	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+3H"	3.021828
"1163674"	95.380876	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+3H"	3.021828
"424881"	584.275423	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+NH4"	18.033823
"790502"	867.396223	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+NH4"	18.033823
"1687930"	301.154623	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+NH4"	18.033823
"337301"	292.6413495	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+H+NH4"	19.041099
"730816"	434.2017495	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+H+NH4"	19.041099
"1480264"	151.0809495	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H+NH4"	19.041099
"396754"	589.230818	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+Na"	22.989218
"757748"	872.351618	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+Na"	22.989218
"1605845"	306.110018	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Na"	22.989218
"315884"	295.119047	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+H+Na"	23.996494
"713774"	436.679447	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+H+Na"	23.996494
"1465410"	153.558647	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H+Na"	23.996494
"1058658"	102.70819	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2H+Na"	25.00377
"1266896"	316.154286	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+CH3OH+H"	33.033486
"384378"	605.204758	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+K"	38.963158
"745374"	888.325558	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+K"	38.963158
"1549614"	322.083958	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+K"	38.963158
"307887"	303.106017	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+H+K"	39.970434
"699215"	444.666417	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+H+K"	39.970434
"1458502"	161.545617	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H+K"	39.970434
"238358"	608.275426	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+ACN+H"	42.033826
"1211428"	325.154626	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+ACN+H"	42.033826
"1200418"	163.080951	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+ACN+2H"	43.041102
"192194"	611.21276	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+2Na-H"	44.97116
"633942"	894.33356	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+2Na-H"	44.97116
"1139639"	328.09196	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2Na-H"	44.97116
"182932"	306.110018	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+2Na"	45.978436
"619212"	447.670418	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+2Na"	45.978436
"1130013"	164.549618	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2Na"	45.978436
"1413173"	110.035504	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H+2Na"	46.985712
"1440549"	330.133546	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H+HCOOH"	47.012746
"232432"	311.14304	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+3H2O+2H"	56.04448
"1521587"	344.18559	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+IsoProp+H"	61.06479
"423462"	314.096988	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+Na+K"	61.952376
"784093"	455.657388	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+Na+K"	61.952376
"1678601"	172.536588	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Na+K"	61.952376
"264028"	630.257368	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+ACN+Na"	64.015768
"1239288"	347.136568	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+ACN+Na"	64.015768
"1723436"	347.160093	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+NH4+HCOOH"	64.039293
"1193162"	117.362818	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+3Na"	68.967654
"1660870"	352.115488	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Na+HCOOH"	68.994688
"167731"	643.16064	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+2K-H"	76.91904
"604011"	926.28144	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+2K-H"	76.91904
"1088525"	360.03984	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2K-H"	76.91904
"149715"	322.083958	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"2M+2K"	77.926316
"584536"	463.644358	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"3M+2K"	77.926316
"1078164"	180.523558	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2K"	77.926316
"1114656"	362.054392	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2K+H"	78.933592
"1342293"	362.142007	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+DMSO+H"	79.021207
"1017386"	366.181176	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2ACN+H"	83.060376
"1536606"	367.174808	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+IsoProp+Na+H"	84.054008
"992482"	183.594226	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+2ACN+2H"	84.067652
"1589902"	368.089428	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+K+HCOOH"	84.968628
"1427592"	398.120938	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+H+CF3COOH"	115.000138
"1152412"	204.107501	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+3ACN+2H"	125.094202
"1703060"	415.147485	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+NH4+CF3COOH"	132.026685
"1640898"	420.10288	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+Na+CF3COOH"	136.98208
"1585297"	436.07682	"C01735"	"Morphinone"	"C17H17NO3"	"283.1208"	"M+K+CF3COOH"	152.95602
"809105"	252.0859	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M"	0
"974356"	233.06751	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-H2O-H"	-19.01839
"63224"	167.049990666667	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M-3H"	-3.021828
"503385"	251.078624	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M-3H"	-3.021828
"882772"	83.0213573333333	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-3H"	-3.021828
"4628"	251.078624	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M-2H"	-2.014552
"447469"	377.121574	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M-2H"	-2.014552
"819802"	125.035674	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-2H"	-2.014552
"79917"	503.164524	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M-H"	-1.007276
"524826"	755.250424	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M-H"	-1.007276
"902628"	251.078624	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-H"	-1.007276
"53723"	520.191071	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M-2H+NH4"	16.019271
"496565"	772.276971	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M-2H+NH4"	16.019271
"872179"	268.105171	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-2H+NH4"	16.019271
"33517"	525.146466	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M-2H+Na"	20.974666
"484387"	777.232366	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M-2H+Na"	20.974666
"857449"	273.060566	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-2H+Na"	20.974666
"1631723"	273.060566	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Na-2H"	20.974666
"108616"	269.066963	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M-H+Cl"	33.962126
"545992"	395.109913	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M-H+Cl"	33.962126
"939506"	143.024013	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-H+Cl"	33.962126
"280249"	539.141202	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+Cl"	34.969402
"669754"	791.227102	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+Cl"	34.969402
"1284350"	287.055302	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Cl"	34.969402
"25808"	541.120406	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M-2H+K"	36.948606
"464274"	793.206306	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M-2H+K"	36.948606
"842075"	289.034506	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-2H+K"	36.948606
"1563375"	289.034506	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+K-2H"	36.948606
"946884"	297.084094	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-H+HCOOH"	44.998194
"363638"	549.170001	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+HCOOH-H"	44.998201
"348253"	563.185651	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+Hac-H"	59.013851
"1494169"	311.099751	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Hac-H"	59.013851
"966453"	319.066051	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-H+NaCOOH"	66.980151
"117914"	287.055302	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+2Cl"	69.938804
"552003"	413.098252	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+2Cl"	69.938804
"1028459"	161.012352	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2Cl"	69.938804
"1243663"	331.004785	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Br"	78.918885
"1304529"	333.060772	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Cl+HCOOH"	80.974872
"1320812"	355.042729	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Cl+NaCOOH"	102.956829
"911992"	365.071486	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M-H+CF3COOH"	112.985586
"1288938"	401.048164	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Cl+CF3COOH"	148.962264
"1369539"	217.073224	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H-2H2O"	-35.012676
"1382941"	235.0832	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H-H2O"	-17.0027
"295842"	505.179076	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+H"	1.007276
"689721"	757.264976	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+H"	1.007276
"1365707"	253.093176	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H"	1.007276
"134950"	253.093176	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+2H"	2.014552
"580834"	379.136126	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+2H"	2.014552
"1046590"	127.050226	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2H"	2.014552
"211936"	169.064542666667	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+3H"	3.021828
"648221"	253.093176	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+3H"	3.021828
"1163906"	85.0359093333333	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+3H"	3.021828
"425965"	522.205623	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+NH4"	18.033823
"788427"	774.291523	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+NH4"	18.033823
"1689134"	270.119723	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+NH4"	18.033823
"335224"	261.6064495	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+H+NH4"	19.041099
"727646"	387.6493995	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+H+NH4"	19.041099
"1481467"	135.5634995	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H+NH4"	19.041099
"397957"	527.161018	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+Na"	22.989218
"758951"	779.246918	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+Na"	22.989218
"1603769"	275.075118	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Na"	22.989218
"315263"	264.084147	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+H+Na"	23.996494
"712791"	390.127097	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+H+Na"	23.996494
"1466613"	138.041197	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H+Na"	23.996494
"1056581"	92.3632233333333	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2H+Na"	25.00377
"1261539"	285.119386	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+CH3OH+H"	33.033486
"381206"	543.134958	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+K"	38.963158
"745484"	795.220858	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+K"	38.963158
"1548631"	291.049058	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+K"	38.963158
"307997"	272.071117	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+H+K"	39.970434
"699325"	398.114067	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+H+K"	39.970434
"1459586"	146.028167	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H+K"	39.970434
"245028"	546.205626	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+ACN+H"	42.033826
"1214456"	294.119726	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+ACN+H"	42.033826
"1200528"	147.563501	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+ACN+2H"	43.041102
"193397"	549.14296	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+2Na-H"	44.97116
"636239"	801.22886	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+2Na-H"	44.97116
"1139749"	297.05706	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2Na-H"	44.97116
"182678"	275.075118	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+2Na"	45.978436
"620415"	401.118068	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+2Na"	45.978436
"1130368"	149.032168	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2Na"	45.978436
"1413527"	99.6905373333333	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H+2Na"	46.985712
"1442481"	299.098646	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H+HCOOH"	47.012746
"232542"	280.10814	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+3H2O+2H"	56.04448
"1523155"	313.15069	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+IsoProp+H"	61.06479
"423208"	283.062088	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+Na+K"	61.952376
"784933"	409.105038	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+Na+K"	61.952376
"1679076"	157.019138	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Na+K"	61.952376
"263410"	568.187568	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+ACN+Na"	64.015768
"1240493"	316.101668	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+ACN+Na"	64.015768
"1723546"	316.125193	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+NH4+HCOOH"	64.039293
"1194114"	107.017851333333	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+3Na"	68.967654
"1662073"	321.080588	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Na+HCOOH"	68.994688
"172215"	581.09084	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+2K-H"	76.91904
"604121"	833.17674	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+2K-H"	76.91904
"1091915"	329.00494	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2K-H"	76.91904
"153105"	291.049058	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"2M+2K"	77.926316
"587198"	417.092008	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"3M+2K"	77.926316
"1080461"	165.006108	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2K"	77.926316
"1110389"	331.019492	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2K+H"	78.933592
"1340216"	331.107107	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+DMSO+H"	79.021207
"1008747"	335.146276	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2ACN+H"	83.060376
"1529060"	336.139908	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+IsoProp+Na+H"	84.054008
"991863"	168.076776	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+2ACN+2H"	84.067652
"1590012"	337.054528	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+K+HCOOH"	84.968628
"1427702"	367.086038	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+H+CF3COOH"	115.000138
"1151429"	188.590051	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+3ACN+2H"	125.094202
"1703170"	384.112585	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+NH4+CF3COOH"	132.026685
"1641008"	389.06798	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+Na+CF3COOH"	136.98208
"1585407"	405.04192	"C01736"	"Nebularine;Purine riboside;N-D-Ribosylpurine"	"C10H12N4O4"	"252.0859"	"M+K+CF3COOH"	152.95602
"805935"	614.3123	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M"	0
"974598"	595.29391	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-H2O-H"	-19.01839
"63524"	408.534257333333	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M-3H"	-3.021828
"503652"	613.305024	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M-3H"	-3.021828
"880368"	203.763490666667	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-3H"	-3.021828
"4738"	613.305024	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M-2H"	-2.014552
"446485"	920.461174	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M-2H"	-2.014552
"822098"	306.148874	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-2H"	-2.014552
"79298"	1227.617324	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M-H"	-1.007276
"521656"	1841.929624	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M-H"	-1.007276
"899458"	613.305024	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-H"	-1.007276
"53833"	1244.643871	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M-2H+NH4"	16.019271
"496676"	1858.956171	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M-2H+NH4"	16.019271
"872290"	630.331571	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-2H+NH4"	16.019271
"33991"	1249.599266	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M-2H+Na"	20.974666
"481582"	1863.911566	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M-2H+Na"	20.974666
"856466"	635.286966	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-2H+Na"	20.974666
"1631103"	635.286966	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Na-2H"	20.974666
"105809"	631.293363	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M-H+Cl"	33.962126
"544278"	938.449513	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M-H+Cl"	33.962126
"935604"	324.137213	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-H+Cl"	33.962126
"276348"	1263.594002	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+Cl"	34.969402
"666584"	1877.906302	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+Cl"	34.969402
"1283000"	649.281702	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Cl"	34.969402
"23731"	1265.573206	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M-2H+K"	36.948606
"461104"	1879.885506	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M-2H+K"	36.948606
"842185"	651.260906	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-2H+K"	36.948606
"1561299"	651.260906	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+K-2H"	36.948606
"944807"	659.310494	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-H+HCOOH"	44.998194
"362290"	1273.622801	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+HCOOH-H"	44.998201
"346904"	1287.638451	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+Hac-H"	59.013851
"1492952"	673.326151	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Hac-H"	59.013851
"962552"	681.292451	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-H+NaCOOH"	66.980151
"110283"	649.281702	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+2Cl"	69.938804
"550125"	956.437852	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+2Cl"	69.938804
"1022007"	342.125552	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2Cl"	69.938804
"1242313"	693.231185	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Br"	78.918885
"1305490"	695.287172	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Cl+HCOOH"	80.974872
"1320798"	717.269129	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Cl+NaCOOH"	102.956829
"912953"	727.297886	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M-H+CF3COOH"	112.985586
"1289169"	763.274564	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Cl+CF3COOH"	148.962264
"1367495"	579.299624	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H-2H2O"	-35.012676
"1383613"	597.3096	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H-H2O"	-17.0027
"296681"	1229.631876	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+H"	1.007276
"689831"	1843.944176	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+H"	1.007276
"1365817"	615.319576	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H"	1.007276
"135060"	615.319576	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+2H"	2.014552
"579726"	922.475726	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+2H"	2.014552
"1043055"	308.163426	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2H"	2.014552
"210953"	410.548809333333	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+3H"	3.021828
"648331"	615.319576	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+3H"	3.021828
"1165352"	205.778042666667	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+3H"	3.021828
"426804"	1246.658423	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+NH4"	18.033823
"788537"	1860.970723	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+NH4"	18.033823
"1685963"	632.346123	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+NH4"	18.033823
"332054"	623.8328495	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+H+NH4"	19.041099
"726661"	930.9889995	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+H+NH4"	19.041099
"1481576"	316.6766995	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H+NH4"	19.041099
"394057"	1251.613818	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+Na"	22.989218
"756874"	1865.926118	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+Na"	22.989218
"1604970"	637.301518	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Na"	22.989218
"318288"	626.310547	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+H+Na"	23.996494
"713994"	933.466697	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+H+Na"	23.996494
"1464535"	319.154397	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H+Na"	23.996494
"1054503"	213.105356666667	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2H+Na"	25.00377
"1261648"	647.345786	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+CH3OH+H"	33.033486
"385692"	1267.587758	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+K"	38.963158
"745593"	1881.900058	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+K"	38.963158
"1548741"	653.275458	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+K"	38.963158
"308107"	634.297517	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+H+K"	39.970434
"699435"	941.453667	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+H+K"	39.970434
"1458723"	327.141367	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H+K"	39.970434
"247325"	1270.658426	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+ACN+H"	42.033826
"1216752"	656.346126	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+ACN+H"	42.033826
"1201730"	328.676701	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+ACN+2H"	43.041102
"198973"	1273.59576	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+2Na-H"	44.97116
"638535"	1887.90806	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+2Na-H"	44.97116
"1138766"	659.28346	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2Na-H"	44.97116
"183883"	637.301518	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+2Na"	45.978436
"619432"	944.457668	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+2Na"	45.978436
"1129870"	330.145368	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2Na"	45.978436
"1412909"	220.432670666667	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H+2Na"	46.985712
"1442592"	661.325046	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H+HCOOH"	47.012746
"231195"	642.33454	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+3H2O+2H"	56.04448
"1522901"	675.37709	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+IsoProp+H"	61.06479
"421494"	645.288488	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+Na+K"	61.952376
"777752"	952.444638	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+Na+K"	61.952376
"1678457"	338.132338	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Na+K"	61.952376
"260968"	1292.640368	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+ACN+Na"	64.015768
"1238050"	678.328068	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+ACN+Na"	64.015768
"1720376"	678.351593	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+NH4+HCOOH"	64.039293
"1190102"	227.759984666667	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+3Na"	68.967654
"1658902"	683.306988	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Na+HCOOH"	68.994688
"167950"	1305.54364	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+2K-H"	76.91904
"611763"	1919.85594	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+2K-H"	76.91904
"1088745"	691.23134	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2K-H"	76.91904
"152122"	653.275458	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"2M+2K"	77.926316
"587308"	960.431608	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"3M+2K"	77.926316
"1080571"	346.119308	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2K"	77.926316
"1113416"	693.245892	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2K+H"	78.933592
"1340326"	693.333507	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+DMSO+H"	79.021207
"1007764"	697.372676	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2ACN+H"	83.060376
"1529170"	698.366308	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+IsoProp+Na+H"	84.054008
"992338"	349.189976	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+2ACN+2H"	84.067652
"1592308"	699.280928	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+K+HCOOH"	84.968628
"1424532"	729.312438	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+H+CF3COOH"	115.000138
"1151539"	369.703251	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+3ACN+2H"	125.094202
"1700000"	746.338985	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+NH4+CF3COOH"	132.026685
"1637838"	751.29438	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+Na+CF3COOH"	136.98208
"1585517"	767.26832	"C01737"	"Neomycin B;Fradiomycin B;Framycetin"	"C23H46N6O13"	"614.3123"	"M+K+CF3COOH"	152.95602
"807138"	399.1067	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M"	0
"974916"	380.08831	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-H2O-H"	-19.01839
"63563"	265.063857333333	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M-3H"	-3.021828
"503403"	398.099424	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M-3H"	-3.021828
"881290"	132.028290666667	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-3H"	-3.021828
"3755"	398.099424	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M-2H"	-2.014552
"442222"	597.652774	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M-2H"	-2.014552
"820021"	198.546074	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-2H"	-2.014552
"82201"	797.206124	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M-H"	-1.007276
"523953"	1196.312824	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M-H"	-1.007276
"898471"	398.099424	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-H"	-1.007276
"55037"	814.232671	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M-2H+NH4"	16.019271
"497880"	1213.339371	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M-2H+NH4"	16.019271
"872400"	415.125971	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-2H+NH4"	16.019271
"35923"	819.188066	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M-2H+Na"	20.974666
"481691"	1218.294766	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M-2H+Na"	20.974666
"854389"	420.081366	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-2H+Na"	20.974666
"1630484"	420.081366	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Na-2H"	20.974666
"103732"	416.087763	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M-H+Cl"	33.962126
"545846"	615.641113	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M-H+Cl"	33.962126
"935714"	216.534413	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-H+Cl"	33.962126
"276458"	833.182802	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+Cl"	34.969402
"667787"	1232.289502	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+Cl"	34.969402
"1281651"	434.076102	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Cl"	34.969402
"21654"	835.162006	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M-2H+K"	36.948606
"461214"	1234.268706	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M-2H+K"	36.948606
"839015"	436.055306	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-2H+K"	36.948606
"1560315"	436.055306	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+K-2H"	36.948606
"948198"	444.104894	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-H+HCOOH"	44.998194
"362401"	843.211601	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+HCOOH-H"	44.998201
"348109"	857.227251	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+Hac-H"	59.013851
"1494749"	458.120551	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Hac-H"	59.013851
"961205"	466.086851	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-H+NaCOOH"	66.980151
"110269"	434.076102	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+2Cl"	69.938804
"550518"	633.629452	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+2Cl"	69.938804
"1023210"	234.522752	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2Cl"	69.938804
"1242787"	478.025585	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Br"	78.918885
"1304870"	480.081572	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Cl+HCOOH"	80.974872
"1320908"	502.063529	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Cl+NaCOOH"	102.956829
"913427"	512.092286	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M-H+CF3COOH"	112.985586
"1289160"	548.068964	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Cl+CF3COOH"	148.962264
"1367077"	364.094024	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H-2H2O"	-35.012676
"1383242"	382.104	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H-H2O"	-17.0027
"298133"	799.220676	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+H"	1.007276
"684473"	1198.327376	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+H"	1.007276
"1357542"	400.113976	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H"	1.007276
"135170"	400.113976	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+2H"	2.014552
"581171"	599.667326	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+2H"	2.014552
"1043164"	200.560626	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2H"	2.014552
"206691"	267.078409333333	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+3H"	3.021828
"648441"	400.113976	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+3H"	3.021828
"1165829"	134.042842666667	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+3H"	3.021828
"427643"	816.247223	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+NH4"	18.033823
"788647"	1215.353923	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+NH4"	18.033823
"1683887"	417.140523	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+NH4"	18.033823
"332163"	408.6272495	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+H+NH4"	19.041099
"725678"	608.1805995	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+H+NH4"	19.041099
"1478888"	209.0738995	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H+NH4"	19.041099
"394530"	821.202618	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+Na"	22.989218
"758437"	1220.309318	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+Na"	22.989218
"1604228"	422.095918	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Na"	22.989218
"317303"	411.104947	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+H+Na"	23.996494
"708389"	610.658297	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+H+Na"	23.996494
"1462698"	211.551597	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H+Na"	23.996494
"1054613"	141.370156666667	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2H+Na"	25.00377
"1260665"	432.140186	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+CH3OH+H"	33.033486
"385802"	837.176558	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+K"	38.963158
"742787"	1236.283258	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+K"	38.963158
"1547758"	438.069858	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+K"	38.963158
"309310"	419.091917	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+H+K"	39.970434
"699545"	618.645267	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+H+K"	39.970434
"1458832"	219.538567	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H+K"	39.970434
"244153"	840.247226	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+ACN+H"	42.033826
"1214676"	441.140526	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+ACN+H"	42.033826
"1198561"	221.073901	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+ACN+2H"	43.041102
"193616"	843.18456	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+2Na-H"	44.97116
"634270"	1242.29126	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+2Na-H"	44.97116
"1138876"	444.07786	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2Na-H"	44.97116
"184721"	422.095918	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+2Na"	45.978436
"622822"	621.649268	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+2Na"	45.978436
"1130589"	222.542568	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2Na"	45.978436
"1412046"	148.697470666667	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H+2Na"	46.985712
"1442338"	446.119446	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H+HCOOH"	47.012746
"232764"	427.12894	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+3H2O+2H"	56.04448
"1520824"	460.17149	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+IsoProp+H"	61.06479
"421969"	430.082888	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+Na+K"	61.952376
"783330"	629.636238	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+Na+K"	61.952376
"1677836"	230.529538	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Na+K"	61.952376
"265086"	862.229168	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+ACN+Na"	64.015768
"1238160"	463.122468	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+ACN+Na"	64.015768
"1723402"	463.145993	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+NH4+HCOOH"	64.039293
"1192764"	156.024784666667	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+3Na"	68.967654
"1661200"	468.101388	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Na+HCOOH"	68.994688
"166967"	875.13244	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+2K-H"	76.91904
"604342"	1274.23914	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+2K-H"	76.91904
"1096510"	476.02574	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2K-H"	76.91904
"153327"	438.069858	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"2M+2K"	77.926316
"595924"	637.623208	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"3M+2K"	77.926316
"1080681"	238.516508	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2K"	77.926316
"1105141"	478.040292	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2K+H"	78.933592
"1340436"	478.127907	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+DMSO+H"	79.021207
"1008238"	482.167076	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2ACN+H"	83.060376
"1526238"	483.160708	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+IsoProp+Na+H"	84.054008
"991351"	241.587176	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+2ACN+2H"	84.067652
"1591325"	484.075328	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+K+HCOOH"	84.968628
"1423548"	514.106838	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+H+CF3COOH"	115.000138
"1150555"	262.100451	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+3ACN+2H"	125.094202
"1706669"	531.133385	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+NH4+CF3COOH"	132.026685
"1641227"	536.08878	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+Na+CF3COOH"	136.98208
"1585627"	552.06272	"C01739"	"Nocardicin E"	"C19H17N3O7"	"399.1067"	"M+K+CF3COOH"	152.95602
"808342"	129.1518	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M"	0
"974581"	110.13341	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-H2O-H"	-19.01839
"62897"	85.093924	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M-3H"	-3.021828
"503236"	128.144524	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M-3H"	-3.021828
"882010"	42.043324	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-3H"	-3.021828
"7146"	128.144524	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M-2H"	-2.014552
"447800"	192.720424	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M-2H"	-2.014552
"821227"	63.568624	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-2H"	-2.014552
"81219"	257.296324	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M-H"	-1.007276
"522970"	386.448124	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M-H"	-1.007276
"897120"	128.144524	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-H"	-1.007276
"48584"	274.322871	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M-2H+NH4"	16.019271
"496894"	403.474671	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M-2H+NH4"	16.019271
"868135"	145.171071	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-2H+NH4"	16.019271
"36034"	279.278266	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M-2H+Na"	20.974666
"476697"	408.430066	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M-2H+Na"	20.974666
"854499"	150.126466	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-2H+Na"	20.974666
"1628406"	150.126466	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Na-2H"	20.974666
"101655"	146.132863	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M-H+Cl"	33.962126
"542308"	210.708763	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M-H+Cl"	33.962126
"933637"	81.556963	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-H+Cl"	33.962126
"271100"	293.273002	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+Cl"	34.969402
"667897"	422.424802	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+Cl"	34.969402
"1278114"	164.121202	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Cl"	34.969402
"21764"	295.252206	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M-2H+K"	36.948606
"458043"	424.404006	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M-2H+K"	36.948606
"836937"	166.100406	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-2H+K"	36.948606
"1559331"	166.100406	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+K-2H"	36.948606
"943567"	174.149994	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-H+HCOOH"	44.998194
"362511"	303.301801	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+HCOOH-H"	44.998201
"346029"	317.317451	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+Hac-H"	59.013851
"1493524"	188.165651	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Hac-H"	59.013851
"960586"	196.131951	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-H+NaCOOH"	66.980151
"110218"	164.121202	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+2Cl"	69.938804
"551234"	228.697102	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+2Cl"	69.938804
"1023320"	99.545302	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2Cl"	69.938804
"1241679"	208.070685	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Br"	78.918885
"1308627"	210.126672	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Cl+HCOOH"	80.974872
"1322841"	232.108629	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Cl+NaCOOH"	102.956829
"916091"	242.137386	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M-H+CF3COOH"	112.985586
"1291703"	278.114064	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Cl+CF3COOH"	148.962264
"1367200"	94.139124	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H-2H2O"	-35.012676
"1384085"	112.1491	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H-H2O"	-17.0027
"296779"	259.310876	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+H"	1.007276
"681303"	388.462676	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+H"	1.007276
"1355465"	130.159076	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H"	1.007276
"132728"	130.159076	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+2H"	2.014552
"579579"	194.734976	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+2H"	2.014552
"1043276"	65.583176	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2H"	2.014552
"205220"	87.108476	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+3H"	3.021828
"649644"	130.159076	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+3H"	3.021828
"1166669"	44.057876	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+3H"	3.021828
"427755"	276.337423	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+NH4"	18.033823
"788022"	405.489223	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+NH4"	18.033823
"1687279"	147.185623	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+NH4"	18.033823
"334462"	138.6723495	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+H+NH4"	19.041099
"727974"	203.2482495	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+H+NH4"	19.041099
"1477174"	74.0964495	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H+NH4"	19.041099
"393178"	281.292818	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+Na"	22.989218
"759275"	410.444618	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+Na"	22.989218
"1607373"	152.141018	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Na"	22.989218
"316321"	141.150047	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+H+Na"	23.996494
"708135"	205.725947	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+H+Na"	23.996494
"1461834"	76.574147	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H+Na"	23.996494
"1055450"	51.38519	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2H+Na"	25.00377
"1260776"	162.185286	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+CH3OH+H"	33.033486
"381172"	297.266758	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+K"	38.963158
"745813"	426.418558	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+K"	38.963158
"1550057"	168.114958	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+K"	38.963158
"303953"	149.137017	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+H+K"	39.970434
"701844"	213.712917	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+H+K"	39.970434
"1452383"	84.561117	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H+K"	39.970434
"243171"	300.337426	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+ACN+H"	42.033826
"1213691"	171.185626	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+ACN+H"	42.033826
"1197575"	86.096451	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+ACN+2H"	43.041102
"194818"	303.27476	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+2Na-H"	44.97116
"633288"	432.42656	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+2Na-H"	44.97116
"1135704"	174.12296	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2Na-H"	44.97116
"187386"	152.141018	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+2Na"	45.978436
"627311"	216.716918	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+2Na"	45.978436
"1128997"	87.565118	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2Na"	45.978436
"1411790"	58.712504	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H+2Na"	46.985712
"1443545"	176.164546	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H+HCOOH"	47.012746
"233968"	157.17404	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+3H2O+2H"	56.04448
"1520934"	190.21659	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+IsoProp+H"	61.06479
"420620"	160.127988	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+Na+K"	61.952376
"782346"	224.703888	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+Na+K"	61.952376
"1677946"	95.552088	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Na+K"	61.952376
"260820"	322.319368	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+ACN+Na"	64.015768
"1238269"	193.167568	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+ACN+Na"	64.015768
"1726062"	193.191093	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+NH4+HCOOH"	64.039293
"1192873"	66.039818	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+3Na"	68.967654
"1656935"	198.146488	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Na+HCOOH"	68.994688
"163797"	335.22264	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+2K-H"	76.91904
"602265"	464.37444	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+2K-H"	76.91904
"1097713"	206.07084	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2K-H"	76.91904
"155624"	168.114958	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"2M+2K"	77.926316
"596276"	232.690858	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"3M+2K"	77.926316
"1082979"	103.539058	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2K"	77.926316
"1112908"	208.085392	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2K+H"	78.933592
"1337266"	208.173007	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+DMSO+H"	79.021207
"1010163"	212.212176	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2ACN+H"	83.060376
"1528290"	213.205808	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+IsoProp+Na+H"	84.054008
"990734"	106.609726	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+2ACN+2H"	84.067652
"1591435"	214.120428	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+K+HCOOH"	84.968628
"1421471"	244.151938	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+H+CF3COOH"	115.000138
"1150665"	127.123001	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+3ACN+2H"	125.094202
"1697070"	261.178485	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+NH4+CF3COOH"	132.026685
"1640242"	266.13388	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+Na+CF3COOH"	136.98208
"1585737"	282.10782	"C01740"	"Octylamine;N-Octylamine;Monoctylamine"	"C8H19N"	"129.1518"	"M+K+CF3COOH"	152.95602
"808452"	342.1162	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M"	0
"975423"	323.09781	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"65851"	227.070190666667	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"502946"	341.108924	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"881024"	113.031457333333	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"2880"	341.108924	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443535"	512.167024	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"818052"	170.050824	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"84607"	683.225124	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"521987"	1025.341324	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"897603"	341.108924	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"50883"	700.251671	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"493724"	1042.367871	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"865086"	358.135471	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"32499"	705.207066	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"485557"	1047.323266	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"863358"	363.090866	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1631798"	363.090866	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"105046"	359.097263	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"540232"	530.155363	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"933747"	188.039163	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"271211"	719.201802	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"664727"	1061.318002	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1278224"	377.085602	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"25155"	721.181006	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"457181"	1063.297206	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"833321"	379.064806	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1557254"	379.064806	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"945503"	387.114394	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"363352"	729.230601	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"346507"	743.246251	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1494245"	401.130051	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"961789"	409.096351	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"112522"	377.085602	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"556459"	548.143702	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1023067"	206.027502	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1242645"	421.035085	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1308737"	423.091072	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1322226"	445.073029	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"915106"	455.101786	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1294731"	491.078464	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1367790"	307.103524	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383831"	325.1135	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"290082"	685.239676	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"677763"	1027.355876	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1351928"	343.123476	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"129195"	343.123476	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"573493"	514.181576	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1043386"	172.065376	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"210193"	229.084742666667	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"645621"	343.123476	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1166781"	115.046009333333	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"426772"	702.266223	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"788861"	1044.382423	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1685566"	360.150023	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"335665"	351.6367495	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"728084"	522.6948495	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1478257"	180.5786495	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"395111"	707.221618	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"759385"	1049.337818	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1606391"	365.105418	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"318615"	354.114447	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"708488"	525.172547	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1461349"	183.056347	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1054467"	122.373323333333	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1260886"	375.149686	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"381646"	723.195558	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"747749"	1065.311758	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1550167"	381.079358	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"305158"	362.101417	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"701953"	533.159517	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1453585"	191.043317	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"241091"	726.266226	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1217080"	384.150026	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1199868"	192.578651	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"192743"	729.20356	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"630243"	1071.31976	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1135814"	387.08736	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"186770"	365.105418	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"625597"	536.163518	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1131099"	194.047318	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1414055"	129.700637333333	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1444748"	389.128946	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"234685"	370.13844	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1521044"	403.18099	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"419637"	373.092388	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"780634"	544.150488	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1677691"	202.034288	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"261294"	748.248168	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1235463"	406.131968	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1723985"	406.155493	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1192254"	137.027951333333	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1659232"	411.110888	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"165000"	761.15144	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"602375"	1103.26764	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1098916"	419.03524	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"155734"	381.079358	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"596144"	552.137458	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1079809"	210.021258	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1111925"	421.049792	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1337376"	421.137407	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1006999"	425.176576	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1525489"	426.170208	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"991572"	213.091926	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1593733"	427.084828	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1418300"	457.116338	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1147859"	233.605201	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1703608"	474.142885	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1638165"	479.09828	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1585847"	495.07222	"C01742"	"Palatinose;Isomaltulose;6-O-alpha-D-Glucopyranosyl-D-fructofuranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"806371"	323.1693	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M"	0
"975289"	304.15091	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-H2O-H"	-19.01839
"63775"	214.438924	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M-3H"	-3.021828
"503364"	322.162024	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M-3H"	-3.021828
"880236"	106.715824	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-3H"	-3.021828
"231"	322.162024	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M-2H"	-2.014552
"441459"	483.746674	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M-2H"	-2.014552
"818891"	160.577374	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-2H"	-2.014552
"80345"	645.331324	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M-H"	-1.007276
"519911"	968.500624	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M-H"	-1.007276
"896620"	322.162024	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-H"	-1.007276
"47835"	662.357871	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M-2H+NH4"	16.019271
"490555"	985.527171	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M-2H+NH4"	16.019271
"864310"	339.188571	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-2H+NH4"	16.019271
"32362"	667.313266	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M-2H+Na"	20.974666
"484574"	990.482566	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M-2H+Na"	20.974666
"862375"	344.143966	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-2H+Na"	20.974666
"1628629"	344.143966	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Na-2H"	20.974666
"100783"	340.150363	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M-H+Cl"	33.962126
"536333"	501.735013	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M-H+Cl"	33.962126
"930577"	178.565713	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-H+Cl"	33.962126
"271685"	681.308002	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+Cl"	34.969402
"660339"	1004.477302	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+Cl"	34.969402
"1276147"	358.138702	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Cl"	34.969402
"17610"	683.287206	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M-2H+K"	36.948606
"457169"	1006.456506	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M-2H+K"	36.948606
"832849"	360.117906	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-2H+K"	36.948606
"1556352"	360.117906	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+K-2H"	36.948606
"946341"	368.167494	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-H+HCOOH"	44.998194
"362367"	691.336801	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+HCOOH-H"	44.998201
"346976"	705.352451	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+Hac-H"	59.013851
"1495810"	382.183151	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Hac-H"	59.013851
"959708"	390.149451	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-H+NaCOOH"	66.980151
"112268"	358.138702	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+2Cl"	69.938804
"558756"	519.723352	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+2Cl"	69.938804
"1021487"	196.554052	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2Cl"	69.938804
"1241784"	402.088185	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Br"	78.918885
"1305203"	404.144172	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Cl+HCOOH"	80.974872
"1324159"	426.126129	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Cl+NaCOOH"	102.956829
"913394"	436.154886	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M-H+CF3COOH"	112.985586
"1298121"	472.131564	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Cl+CF3COOH"	148.962264
"1370818"	288.156624	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H-2H2O"	-35.012676
"1387221"	306.1666	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H-H2O"	-17.0027
"289099"	647.345876	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+H"	1.007276
"676537"	970.515176	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+H"	1.007276
"1352405"	324.176576	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H"	1.007276
"129669"	324.176576	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+2H"	2.014552
"573603"	485.761226	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+2H"	2.014552
"1042403"	162.591926	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2H"	2.014552
"210303"	216.453476	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+3H"	3.021828
"645731"	324.176576	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+3H"	3.021828
"1165798"	108.730376	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+3H"	3.021828
"427976"	664.372423	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+NH4"	18.033823
"788971"	987.541723	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+NH4"	18.033823
"1685311"	341.203123	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+NH4"	18.033823
"334682"	332.6898495	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+H+NH4"	19.041099
"727101"	494.2744995	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+H+NH4"	19.041099
"1479460"	171.1051995	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H+NH4"	19.041099
"396679"	669.327818	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+Na"	22.989218
"759496"	992.497118	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+Na"	22.989218
"1606501"	346.158518	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Na"	22.989218
"319818"	335.167547	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+H+Na"	23.996494
"708598"	496.752197	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+H+Na"	23.996494
"1462415"	173.582897	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H+Na"	23.996494
"1054452"	116.05769	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2H+Na"	25.00377
"1257710"	356.202786	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+CH3OH+H"	33.033486
"378473"	685.301758	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+K"	38.963158
"746036"	1008.471058	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+K"	38.963158
"1550277"	362.132458	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+K"	38.963158
"301621"	343.154517	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+H+K"	39.970434
"696596"	504.739167	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+H+K"	39.970434
"1450417"	181.569867	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H+K"	39.970434
"241203"	688.372426	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+ACN+H"	42.033826
"1216094"	365.203126	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+ACN+H"	42.033826
"1197791"	183.105201	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+ACN+2H"	43.041102
"192852"	691.30976	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+2Na-H"	44.97116
"633507"	1014.47906	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+2Na-H"	44.97116
"1133006"	368.14046	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2Na-H"	44.97116
"186146"	346.158518	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+2Na"	45.978436
"622789"	507.743168	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+2Na"	45.978436
"1129705"	184.573868	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2Na"	45.978436
"1413760"	123.385004	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H+2Na"	46.985712
"1444737"	370.182046	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H+HCOOH"	47.012746
"234917"	351.19154	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+3H2O+2H"	56.04448
"1521154"	384.23409	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+IsoProp+H"	61.06479
"419747"	354.145488	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+Na+K"	61.952376
"775277"	515.730138	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+Na+K"	61.952376
"1677073"	192.560838	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Na+K"	61.952376
"261404"	710.354368	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+ACN+Na"	64.015768
"1235937"	387.185068	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+ACN+Na"	64.015768
"1724459"	387.208593	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+NH4+HCOOH"	64.039293
"1192365"	130.712318	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+3Na"	68.967654
"1657155"	392.163988	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Na+HCOOH"	68.994688
"164017"	723.25764	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+2K-H"	76.91904
"601391"	1046.42694	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+2K-H"	76.91904
"1090277"	400.08834	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2K-H"	76.91904
"152562"	362.132458	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"2M+2K"	77.926316
"591029"	523.717108	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"3M+2K"	77.926316
"1077732"	200.547808	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2K"	77.926316
"1109848"	402.102892	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2K+H"	78.933592
"1335904"	402.190507	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+DMSO+H"	79.021207
"1006257"	406.229676	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2ACN+H"	83.060376
"1524506"	407.223308	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+IsoProp+Na+H"	84.054008
"990343"	203.618476	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+2ACN+2H"	84.067652
"1590563"	408.137928	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+K+HCOOH"	84.968628
"1418410"	438.169438	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+H+CF3COOH"	115.000138
"1147969"	224.131751	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+3ACN+2H"	125.094202
"1703718"	455.195985	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+NH4+CF3COOH"	132.026685
"1637182"	460.15138	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+Na+CF3COOH"	136.98208
"1585957"	476.12532	"C01743"	"Paromamine;Neomycin D"	"C12H25N3O7"	"323.1693"	"M+K+CF3COOH"	152.95602
"809764"	166.063	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M"	0
"978924"	147.04461	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"64979"	109.701390666667	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"503480"	165.055724	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"880756"	54.3470573333333	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"1399"	165.055724	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"444850"	248.087224	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"818274"	82.024224	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"81551"	331.118724	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"523300"	497.181724	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"897823"	165.055724	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"47453"	348.145271	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"489572"	514.208271	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"868468"	182.082271	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"32348"	353.100666	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"484320"	519.163666	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"860298"	187.037666	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1627646"	187.037666	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"99800"	183.044063	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"534298"	266.075563	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"935062"	100.012563	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"271433"	367.095402	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"664217"	533.158402	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1276257"	201.032402	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"17718"	369.074606	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"456548"	535.137606	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"833617"	203.011606	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1560754"	203.011606	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"945355"	211.061194	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"362841"	377.124201	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"347453"	391.139851	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1499573"	225.076851	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"963105"	233.043151	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"118211"	201.032402	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"554127"	284.063902	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1025115"	118.000902	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1242865"	244.981885	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1306045"	247.037872	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1323544"	269.019829	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"912774"	279.048586	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1289847"	315.025264	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1369107"	131.050324	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1383240"	149.0603	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"289209"	333.133276	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"676526"	499.196276	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1352757"	167.070276	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H"	1.007276
"129779"	167.070276	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"567274"	250.101776	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1039475"	84.038776	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"208226"	111.715942666667	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"647785"	167.070276	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1165907"	56.3616093333333	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"427357"	350.159823	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"787988"	516.222823	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1682506"	184.096823	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"334793"	175.5835495	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"727215"	258.6150495	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1478116"	92.5520495	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"393272"	355.115218	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"756333"	521.178218	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1604548"	189.052218	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"316286"	178.061247	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"707978"	261.092747	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1462896"	95.029747	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1054442"	63.6889233333333	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1258915"	199.096486	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"378706"	371.089158	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"743959"	537.152158	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1549294"	205.026158	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+K"	38.963158
"309752"	186.048217	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"698893"	269.079717	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1449433"	103.016717	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"237303"	374.159826	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1210741"	208.096826	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1195718"	104.552051	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"190777"	377.09716	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"632526"	543.16016	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1140412"	211.03416	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"186623"	189.052218	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"628263"	272.083718	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1131039"	106.020718	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1413464"	71.0162373333333	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1440958"	213.075746	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"233448"	194.08524	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1522727"	227.12779	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"423994"	197.039188	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"785231"	280.070688	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1677913"	114.007688	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"259329"	396.141768	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1236411"	230.078768	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1724203"	230.102293	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1190650"	78.3435513333333	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1659452"	235.057688	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"160118"	409.04504	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"604783"	575.10804	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1099136"	242.98204	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"153767"	205.026158	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"591140"	288.057658	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1077844"	121.994658	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1109961"	244.996592	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1340877"	245.084207	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1019255"	249.123376	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1530816"	250.117008	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"1000544"	125.065326	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1591768"	251.031628	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1416333"	281.063138	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1148808"	145.578601	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1703829"	298.089685	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1644949"	303.04508	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1586067"	319.01902	"C01744"	"Phloretate;Phloretic acid;3-(4-Hydroxyphenyl)propionic acid"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"812061"	212.0837	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M"	0
"981221"	193.06531	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"66183"	140.381857333333	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"505744"	211.076424	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"882453"	69.6872906666667	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"1149"	211.076424	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"442774"	317.118274	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"823859"	105.034574	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"83851"	423.160124	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"527786"	635.243824	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"904497"	211.076424	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"52309"	440.186671	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"489682"	652.270371	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"869671"	228.102971	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"32339"	445.142066	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"485525"	657.225766	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"861503"	233.058366	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1624474"	233.058366	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"103190"	229.064763	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"542752"	335.106613	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"931894"	123.022913	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"274825"	459.136802	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"664327"	671.220502	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1279647"	247.053102	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"16612"	461.116006	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"456537"	673.199706	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"835556"	249.032306	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1559772"	249.032306	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"947655"	257.081894	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"363681"	469.165601	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"348292"	483.181251	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1501870"	271.097551	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"963580"	279.063851	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"113583"	247.053102	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"556791"	353.094952	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1024494"	141.011252	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1245167"	291.002585	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1307616"	293.058572	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1321831"	315.040529	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"913618"	325.069286	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1292514"	361.045964	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1374321"	177.071024	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1384891"	195.081	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"293695"	425.174676	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"681741"	637.258376	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1352257"	213.090976	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"129888"	213.090976	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"566168"	319.132826	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1044810"	107.049126	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"207243"	142.396409333333	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"648989"	213.090976	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1166018"	71.7018426666667	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"426374"	442.201223	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"789192"	654.284923	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1688817"	230.117523	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"334904"	221.6042495	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"727325"	327.6460995	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1480051"	115.5623995	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"398731"	447.156618	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"757904"	659.240318	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1607824"	235.072918	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"314943"	224.081947	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"708819"	330.123797	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1464101"	118.040097	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1056257"	79.0291566666667	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1261217"	245.117186	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"379424"	463.130558	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"742976"	675.214258	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1549404"	251.046858	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"305487"	232.068917	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"702283"	338.110767	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1452823"	126.027067	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"241422"	466.201226	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1210286"	254.117526	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1196922"	127.562401	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"193074"	469.13856	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"634822"	681.22226	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1140522"	257.05486	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"185639"	235.072918	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"628467"	341.114768	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1131028"	129.031068	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1413493"	86.3564706666667	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1440704"	259.096446	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"234533"	240.10594	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1523080"	273.14849	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"423496"	243.059888	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"782787"	349.101738	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1678024"	137.018038	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"259439"	488.183168	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1236521"	276.099468	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1723949"	276.122993	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1190396"	93.6837846666667	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1659562"	281.078388	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"159864"	501.08644	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"604893"	713.17014	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1098153"	289.00274	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"150595"	251.046858	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"591250"	357.088708	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1081962"	145.005008	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1110070"	291.017292	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1340987"	291.104907	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1017178"	295.144076	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1534207"	296.137708	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"994094"	148.075676	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1600262"	297.052328	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1423005"	327.083838	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1148919"	168.588951	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1707220"	344.110385	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1649435"	349.06578	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1586177"	365.03972	"C01745"	"Pinosylvin;35-Stilbenediol"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"806701"	85.0891	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M"	0
"974891"	66.07071	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-H2O-H"	-19.01839
"64105"	55.7187906666667	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M-3H"	-3.021828
"504758"	84.081824	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M-3H"	-3.021828
"882563"	27.3557573333333	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-3H"	-3.021828
"1502"	84.081824	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M-2H"	-2.014552
"443975"	126.626374	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M-2H"	-2.014552
"823969"	41.537274	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-2H"	-2.014552
"83961"	169.170924	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M-H"	-1.007276
"527896"	254.260024	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M-H"	-1.007276
"905700"	84.081824	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-H"	-1.007276
"52419"	186.197471	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M-2H+NH4"	16.019271
"488820"	271.286571	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M-2H+NH4"	16.019271
"865649"	101.108371	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-2H+NH4"	16.019271
"33427"	191.152866	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M-2H+Na"	20.974666
"486816"	276.241966	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M-2H+Na"	20.974666
"861614"	106.063766	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-2H+Na"	20.974666
"1626772"	106.063766	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Na-2H"	20.974666
"95889"	102.070163	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M-H+Cl"	33.962126
"542863"	144.614713	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M-H+Cl"	33.962126
"933097"	59.525613	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-H+Cl"	33.962126
"274935"	205.147602	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+Cl"	34.969402
"664801"	290.236702	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+Cl"	34.969402
"1277572"	120.058502	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Cl"	34.969402
"18667"	207.126806	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M-2H+K"	36.948606
"456761"	292.215906	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M-2H+K"	36.948606
"840769"	122.037706	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-2H+K"	36.948606
"1559882"	122.037706	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+K-2H"	36.948606
"945578"	130.087294	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-H+HCOOH"	44.998194
"364519"	215.176401	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+HCOOH-H"	44.998201
"348404"	229.192051	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+Hac-H"	59.013851
"1502709"	144.102951	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Hac-H"	59.013851
"961867"	152.069251	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-H+NaCOOH"	66.980151
"114059"	120.058502	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+2Cl"	69.938804
"557995"	162.603052	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+2Cl"	69.938804
"1025697"	77.513952	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2Cl"	69.938804
"1244186"	164.007985	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Br"	78.918885
"1309914"	166.063972	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Cl+HCOOH"	80.974872
"1324128"	188.045929	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Cl+NaCOOH"	102.956829
"914092"	198.074686	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M-H+CF3COOH"	112.985586
"1291895"	234.051364	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Cl+CF3COOH"	148.962264
"1374431"	50.076424	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H-2H2O"	-35.012676
"1386458"	68.0864	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H-H2O"	-17.0027
"293805"	171.185476	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+H"	1.007276
"685131"	256.274576	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+H"	1.007276
"1353096"	86.096376	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H"	1.007276
"129996"	86.096376	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+2H"	2.014552
"576119"	128.640926	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+2H"	2.014552
"1046013"	43.551826	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2H"	2.014552
"206258"	57.7333426666667	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+3H"	3.021828
"649099"	86.096376	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+3H"	3.021828
"1167222"	29.3703093333333	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+3H"	3.021828
"429400"	188.212023	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+NH4"	18.033823
"788573"	273.301123	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+NH4"	18.033823
"1687831"	103.122923	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+NH4"	18.033823
"333922"	94.6096495	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+H+NH4"	19.041099
"725978"	137.1541995	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+H+NH4"	19.041099
"1478700"	52.0650995	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H+NH4"	19.041099
"396654"	193.167418	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+Na"	22.989218
"758743"	278.256518	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+Na"	22.989218
"1609026"	108.078318	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Na"	22.989218
"315053"	97.087347	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+H+Na"	23.996494
"709292"	139.631897	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+H+Na"	23.996494
"1462509"	54.542797	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H+Na"	23.996494
"1055270"	36.6976233333333	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2H+Na"	25.00377
"1260230"	118.122586	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+CH3OH+H"	33.033486
"382089"	209.141358	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+K"	38.963158
"740898"	294.230458	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+K"	38.963158
"1546234"	124.052258	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+K"	38.963158
"305597"	105.074317	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+H+K"	39.970434
"699113"	147.618867	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+H+K"	39.970434
"1451839"	62.529767	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H+K"	39.970434
"242628"	212.212026	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+ACN+H"	42.033826
"1213150"	127.122926	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+ACN+H"	42.033826
"1198126"	64.065101	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+ACN+2H"	43.041102
"194278"	215.14936	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+2Na-H"	44.97116
"634932"	300.23846	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+2Na-H"	44.97116
"1135165"	130.06026	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2Na-H"	44.97116
"186840"	108.078318	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+2Na"	45.978436
"627623"	150.622868	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+2Na"	45.978436
"1130766"	65.533768	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2Na"	45.978436
"1413805"	44.0249373333333	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H+2Na"	46.985712
"1438262"	132.101846	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H+HCOOH"	47.012746
"230873"	113.11134	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+3H2O+2H"	56.04448
"1523435"	146.15389	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+IsoProp+H"	61.06479
"422995"	116.065288	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+Na+K"	61.952376
"783991"	158.609838	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+Na+K"	61.952376
"1676310"	73.520738	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Na+K"	61.952376
"259549"	234.193968	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+ACN+Na"	64.015768
"1236631"	149.104868	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+ACN+Na"	64.015768
"1724423"	149.128393	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+NH4+HCOOH"	64.039293
"1187590"	51.3522513333333	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+3Na"	68.967654
"1662952"	154.083788	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Na+HCOOH"	68.994688
"159002"	247.09724	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+2K-H"	76.91904
"601720"	332.18634	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+2K-H"	76.91904
"1099235"	162.00814	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2K-H"	76.91904
"150705"	124.052258	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"2M+2K"	77.926316
"591360"	166.596808	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"3M+2K"	77.926316
"1082316"	81.507708	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2K"	77.926316
"1110180"	164.022692	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2K+H"	78.933592
"1337817"	164.110307	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+DMSO+H"	79.021207
"1017652"	168.149476	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2ACN+H"	83.060376
"1534317"	169.143108	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+IsoProp+Na+H"	84.054008
"994204"	84.578376	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+2ACN+2H"	84.067652
"1597456"	170.057728	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+K+HCOOH"	84.968628
"1423115"	200.089238	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+H+CF3COOH"	115.000138
"1149029"	105.091651	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+3ACN+2H"	125.094202
"1707330"	217.115785	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+NH4+CF3COOH"	132.026685
"1648817"	222.07118	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+Na+CF3COOH"	136.98208
"1586287"	238.04512	"C01746"	"Piperidine;Azacyclohexane;Hexahydropyridine"	"C5H11N"	"85.0891"	"M+K+CF3COOH"	152.95602
"807904"	461.3353	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M"	0
"977067"	442.31691	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H2O-H"	-19.01839
"66401"	306.549590666667	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-3H"	-3.021828
"504869"	460.328024	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-3H"	-3.021828
"883034"	152.771157333333	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-3H"	-3.021828
"3067"	460.328024	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H"	-2.014552
"444083"	690.995674	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H"	-2.014552
"825172"	229.660374	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H"	-2.014552
"84071"	921.663324	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-H"	-1.007276
"528006"	1382.998624	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-H"	-1.007276
"905811"	460.328024	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H"	-1.007276
"50342"	938.689871	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H+NH4"	16.019271
"488930"	1400.025171	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H+NH4"	16.019271
"864908"	477.354571	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H+NH4"	16.019271
"32565"	943.645266	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H+Na"	20.974666
"485747"	1404.980566	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H+Na"	20.974666
"861360"	482.309966	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H+Na"	20.974666
"1625789"	482.309966	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na-2H"	20.974666
"95999"	478.316363	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-H+Cl"	33.962126
"542973"	708.984013	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-H+Cl"	33.962126
"935394"	247.648713	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+Cl"	33.962126
"273952"	957.640002	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Cl"	34.969402
"667463"	1418.975302	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+Cl"	34.969402
"1279868"	496.304702	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl"	34.969402
"19141"	959.619206	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H+K"	36.948606
"458701"	1420.954506	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H+K"	36.948606
"841973"	498.283906	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H+K"	36.948606
"1561085"	498.283906	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K-2H"	36.948606
"946416"	506.333494	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+HCOOH"	44.998194
"363536"	967.668801	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+HCOOH-H"	44.998201
"347786"	981.684451	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Hac-H"	59.013851
"1502090"	520.349151	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Hac-H"	59.013851
"963072"	528.315451	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+NaCOOH"	66.980151
"113072"	496.304702	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2Cl"	69.938804
"555917"	726.972352	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2Cl"	69.938804
"1027995"	265.637052	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2Cl"	69.938804
"1247576"	540.254185	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Br"	78.918885
"1310024"	542.310172	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl+HCOOH"	80.974872
"1324603"	564.292129	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl+NaCOOH"	102.956829
"913838"	574.320886	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+CF3COOH"	112.985586
"1293098"	610.297564	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl+CF3COOH"	148.962264
"1371989"	426.322624	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H-2H2O"	-35.012676
"1386567"	444.3326	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H-H2O"	-17.0027
"293914"	923.677876	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H"	1.007276
"681961"	1385.013176	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H"	1.007276
"1352842"	462.342576	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H"	1.007276
"127309"	462.342576	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2H"	2.014552
"572949"	693.010226	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2H"	2.014552
"1040655"	231.674926	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2H"	2.014552
"207825"	308.564142666667	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+3H"	3.021828
"654675"	462.342576	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+3H"	3.021828
"1167333"	154.785709333333	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+3H"	3.021828
"429512"	940.704423	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+NH4"	18.033823
"788319"	1402.039723	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+NH4"	18.033823
"1684648"	479.369123	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+NH4"	18.033823
"332934"	470.8558495	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H+NH4"	19.041099
"729731"	701.5234995	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H+NH4"	19.041099
"1478444"	240.1881995	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+NH4"	19.041099
"398950"	945.659818	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Na"	22.989218
"761039"	1406.995118	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+Na"	22.989218
"1608043"	484.324518	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na"	22.989218
"315282"	473.333547	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H+Na"	23.996494
"707579"	704.001197	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H+Na"	23.996494
"1462129"	242.665897	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+Na"	23.996494
"1057567"	162.113023333333	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2H+Na"	25.00377
"1264713"	494.368786	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+CH3OH+H"	33.033486
"382199"	961.633758	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+K"	38.963158
"743193"	1422.969058	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+K"	38.963158
"1546344"	500.298458	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K"	38.963158
"305707"	481.320517	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H+K"	39.970434
"702503"	711.988167	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H+K"	39.970434
"1454136"	250.652867	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+K"	39.970434
"244924"	964.704426	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+ACN+H"	42.033826
"1214353"	503.369126	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+ACN+H"	42.033826
"1198236"	252.188201	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+ACN+2H"	43.041102
"193295"	967.64176	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2Na-H"	44.97116
"633949"	1428.97706	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2Na-H"	44.97116
"1137462"	506.30646	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2Na-H"	44.97116
"180753"	484.324518	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2Na"	45.978436
"626514"	714.992168	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2Na"	45.978436
"1127103"	253.656868	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2Na"	45.978436
"1413425"	169.440337333333	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+2Na"	46.985712
"1439464"	508.348046	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+HCOOH"	47.012746
"233170"	489.35754	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+3H2O+2H"	56.04448
"1519044"	522.40009	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+IsoProp+H"	61.06479
"420918"	492.311488	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Na+K"	61.952376
"778995"	722.979138	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+Na+K"	61.952376
"1678242"	261.643838	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na+K"	61.952376
"260752"	986.686368	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+ACN+Na"	64.015768
"1236741"	525.351068	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+ACN+Na"	64.015768
"1722346"	525.374593	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+NH4+HCOOH"	64.039293
"1185513"	176.767651333333	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+3Na"	68.967654
"1658688"	530.329988	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na+HCOOH"	68.994688
"162271"	999.58964	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2K-H"	76.91904
"601830"	1460.92494	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2K-H"	76.91904
"1099466"	538.25434	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2K-H"	76.91904
"150815"	500.298458	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2K"	77.926316
"588189"	730.966108	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2K"	77.926316
"1075984"	269.630808	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2K"	77.926316
"1111021"	540.268892	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2K+H"	78.933592
"1340114"	540.356507	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+DMSO+H"	79.021207
"1017033"	544.395676	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2ACN+H"	83.060376
"1533335"	545.389308	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+IsoProp+Na+H"	84.054008
"996501"	272.701476	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2ACN+2H"	84.067652
"1597567"	546.303928	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K+HCOOH"	84.968628
"1423225"	576.335438	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+CF3COOH"	115.000138
"1149139"	293.214751	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+3ACN+2H"	125.094202
"1707440"	593.361985	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+NH4+CF3COOH"	132.026685
"1648198"	598.31738	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na+CF3COOH"	136.98208
"1586397"	614.29132	"C01747"	"Psychosine;Galactosylsphingosine;O-Galactosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K+CF3COOH"	152.95602
"806921"	210.0793	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M"	0
"974304"	191.06091	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-H2O-H"	-19.01839
"65050"	139.045590666667	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M-3H"	-3.021828
"504978"	209.072024	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M-3H"	-3.021828
"884236"	69.0191573333333	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-3H"	-3.021828
"3541"	209.072024	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M-2H"	-2.014552
"443466"	314.111674	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M-2H"	-2.014552
"825282"	104.032374	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-2H"	-2.014552
"85274"	419.151324	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M-H"	-1.007276
"528116"	629.230624	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M-H"	-1.007276
"905920"	209.072024	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-H"	-1.007276
"50452"	436.177871	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M-2H+NH4"	16.019271
"488918"	646.257171	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M-2H+NH4"	16.019271
"865016"	226.098571	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-2H+NH4"	16.019271
"32188"	441.133266	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M-2H+Na"	20.974666
"473091"	651.212566	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M-2H+Na"	20.974666
"858552"	231.053966	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-2H+Na"	20.974666
"1624805"	231.053966	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Na-2H"	20.974666
"96960"	227.060363	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M-H+Cl"	33.962126
"538708"	332.100013	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M-H+Cl"	33.962126
"931127"	122.020713	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-H+Cl"	33.962126
"275154"	455.128002	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+Cl"	34.969402
"665750"	665.207302	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+Cl"	34.969402
"1278155"	245.048702	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Cl"	34.969402
"18522"	457.107206	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M-2H+K"	36.948606
"460270"	667.186506	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M-2H+K"	36.948606
"835884"	247.027906	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-2H+K"	36.948606
"1559371"	247.027906	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+K-2H"	36.948606
"946889"	255.077494	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-H+HCOOH"	44.998194
"362552"	465.156801	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+HCOOH-H"	44.998201
"347532"	479.172451	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+Hac-H"	59.013851
"1500013"	269.093151	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Hac-H"	59.013851
"963182"	277.059451	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-H+NaCOOH"	66.980151
"113182"	245.048702	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+2Cl"	69.938804
"559307"	350.088352	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+2Cl"	69.938804
"1029198"	140.009052	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2Cl"	69.938804
"1248779"	288.998185	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Br"	78.918885
"1311227"	291.054172	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Cl+HCOOH"	80.974872
"1324349"	313.036129	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Cl+NaCOOH"	102.956829
"912488"	323.064886	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M-H+CF3COOH"	112.985586
"1291750"	359.041564	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Cl+CF3COOH"	148.962264
"1371735"	175.066624	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H-2H2O"	-35.012676
"1387042"	193.0766	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H-H2O"	-17.0027
"291837"	421.165876	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+H"	1.007276
"677695"	631.245176	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+H"	1.007276
"1354046"	211.086576	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H"	1.007276
"132403"	211.086576	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+2H"	2.014552
"571964"	316.126226	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+2H"	2.014552
"1042950"	106.046926	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2H"	2.014552
"208664"	141.060142666667	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+3H"	3.021828
"652598"	211.086576	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+3H"	3.021828
"1168536"	71.0337093333333	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+3H"	3.021828
"430715"	438.192423	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+NH4"	18.033823
"787336"	648.271723	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+NH4"	18.033823
"1682572"	228.113123	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+NH4"	18.033823
"335230"	219.5998495	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+H+NH4"	19.041099
"727651"	324.6394995	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+H+NH4"	19.041099
"1478191"	114.5601995	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H+NH4"	19.041099
"399060"	443.147818	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+Na"	22.989218
"760056"	653.227118	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+Na"	22.989218
"1607060"	233.068518	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Na"	22.989218
"316366"	222.077547	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+H+Na"	23.996494
"708418"	327.117197	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+H+Na"	23.996494
"1462605"	117.037897	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H+Na"	23.996494
"1057677"	78.3610233333333	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2H+Na"	25.00377
"1262636"	243.112786	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+CH3OH+H"	33.033486
"384495"	459.121758	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+K"	38.963158
"743303"	669.201058	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+K"	38.963158
"1546454"	249.042458	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+K"	38.963158
"303630"	230.064517	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+H+K"	39.970434
"702613"	335.104167	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+H+K"	39.970434
"1452057"	125.024867	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H+K"	39.970434
"240659"	462.192426	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+ACN+H"	42.033826
"1218836"	252.113126	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+ACN+H"	42.033826
"1201625"	126.560201	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+ACN+2H"	43.041102
"193405"	465.12976	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+2Na-H"	44.97116
"629684"	675.20906	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+2Na-H"	44.97116
"1145224"	255.05046	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2Na-H"	44.97116
"181956"	233.068518	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+2Na"	45.978436
"622611"	338.108168	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+2Na"	45.978436
"1129765"	128.028868	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2Na"	45.978436
"1414168"	85.6883373333333	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H+2Na"	46.985712
"1442490"	257.092046	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H+HCOOH"	47.012746
"234374"	238.10154	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+3H2O+2H"	56.04448
"1519154"	271.14409	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+IsoProp+H"	61.06479
"420297"	241.055488	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+Na+K"	61.952376
"779105"	346.095138	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+Na+K"	61.952376
"1677988"	136.015838	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Na+K"	61.952376
"258675"	484.174368	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+ACN+Na"	64.015768
"1236851"	274.095068	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+ACN+Na"	64.015768
"1723549"	274.118593	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+NH4+HCOOH"	64.039293
"1186716"	93.0156513333333	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+3Na"	68.967654
"1658798"	279.073988	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Na+HCOOH"	68.994688
"164567"	497.07764	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+2K-H"	76.91904
"603033"	707.15694	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+2K-H"	76.91904
"1096296"	286.99834	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2K-H"	76.91904
"150925"	249.042458	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"2M+2K"	77.926316
"589392"	354.082108	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"3M+2K"	77.926316
"1073175"	144.002808	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2K"	77.926316
"1111491"	289.012892	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2K+H"	78.933592
"1345693"	289.100507	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+DMSO+H"	79.021207
"1013131"	293.139676	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2ACN+H"	83.060376
"1536362"	294.133308	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+IsoProp+Na+H"	84.054008
"997704"	147.073476	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+2ACN+2H"	84.067652
"1599863"	295.047928	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+K+HCOOH"	84.968628
"1423335"	325.079438	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+H+CF3COOH"	115.000138
"1149249"	167.586751	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+3ACN+2H"	125.094202
"1706457"	342.105985	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+NH4+CF3COOH"	132.026685
"1647945"	347.06138	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+Na+CF3COOH"	136.98208
"1586507"	363.03532	"C01748"	"Pyocyanine;Pyocyanin;5-Methylphenazin-5-ium-1-olate;5-Methylphenazin-1(5H)-one"	"C13H10N2O"	"210.0793"	"M+K+CF3COOH"	152.95602
"807031"	448.1006	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M"	0
"974392"	429.08221	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"65529"	297.726457333333	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"503997"	447.093324	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"881428"	148.359590666667	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"1831"	447.093324	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"441634"	671.143624	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"818832"	223.043024	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"85384"	895.193924	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"523853"	1343.294524	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"897280"	447.093324	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"47317"	912.220471	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"487203"	1360.321071	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"864320"	464.119871	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"31803"	917.175866	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"473201"	1365.276466	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"858664"	469.075266	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1622730"	469.075266	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"97070"	465.081663	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"536263"	689.131963	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"928685"	241.031363	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"271980"	931.170602	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"666591"	1379.271202	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1278629"	483.070002	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"17050"	933.149806	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"456080"	1381.250406	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"833071"	485.049206	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1556033"	485.049206	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"942829"	493.098794	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"361402"	941.199401	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"348006"	955.215051	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1497207"	507.114451	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"963655"	515.080751	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"111104"	483.070002	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"558325"	707.120302	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1024936"	259.019702	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1246702"	527.019485	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1311337"	529.075472	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1322999"	551.057429	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"912355"	561.086186	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1294414"	597.062864	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1370386"	413.087924	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1390068"	431.0979	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"287574"	897.208476	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"677437"	1345.309076	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1352329"	449.107876	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"127042"	449.107876	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"569156"	673.158176	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1039780"	225.057576	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"210962"	299.741009333333	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"648335"	449.107876	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1165730"	150.374142666667	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"426813"	914.235023	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"786594"	1362.335623	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1682191"	466.134423	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"334247"	457.6211495	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"725574"	681.6714495	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1477448"	233.5708495	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"399170"	919.190418	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"759073"	1367.291018	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1607170"	471.089818	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"314649"	460.098847	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"709628"	684.149147	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1461983"	236.048547	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1057787"	157.701456666667	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1261653"	481.134086	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"384605"	935.164358	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"741223"	1383.264958	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1544374"	487.063758	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"302645"	468.085817	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"696160"	692.136117	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1449981"	244.035517	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"244053"	938.235026	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1216760"	490.134426	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1199548"	245.570851	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"190234"	941.17236	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"630519"	1389.27296	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1136581"	493.07176	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"184978"	471.089818	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"625267"	695.140118	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1124036"	247.039518	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1403552"	165.028770666667	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1442600"	495.113346	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"232659"	476.12284	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1518533"	509.16539	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"413847"	479.076788	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"773747"	703.127088	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1673358"	255.026488	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"255504"	960.216968	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1230400"	512.116368	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1721472"	512.139893	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1189013"	172.356084666667	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1651375"	517.095288	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"163583"	973.12024	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"602050"	1421.22084	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1094219"	525.01964	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"149941"	487.063758	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"587315"	711.114058	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1071099"	263.013458	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1108321"	527.034192	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1338147"	527.121807	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1015429"	531.160976	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1536473"	532.154608	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"1001096"	266.084126	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1596693"	533.069228	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1423446"	563.100738	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1149359"	286.597401	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1705474"	580.127285	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1648781"	585.08268	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1586617"	601.05662	"C01750"	"Quercitrin;Quercetin 3-L-rhamnoside;Quercetin 3-O-alpha-L-rhamnopyranoside"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"808234"	110.0368	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M"	0
"975330"	91.01841	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-H2O-H"	-19.01839
"66733"	72.3505906666667	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M-3H"	-3.021828
"506291"	109.029524	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M-3H"	-3.021828
"881538"	35.6716573333333	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-3H"	-3.021828
"3030"	109.029524	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M-2H"	-2.014552
"443322"	164.047924	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M-2H"	-2.014552
"822222"	54.011124	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-2H"	-2.014552
"85494"	219.066324	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M-H"	-1.007276
"523963"	329.103124	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M-H"	-1.007276
"896780"	109.029524	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-H"	-1.007276
"47996"	236.092871	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M-2H+NH4"	16.019271
"487915"	346.129671	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M-2H+NH4"	16.019271
"865237"	126.056071	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-2H+NH4"	16.019271
"32403"	241.048266	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M-2H+Na"	20.974666
"473311"	351.085066	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M-2H+Na"	20.974666
"858774"	131.011466	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-2H+Na"	20.974666
"1622840"	131.011466	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Na-2H"	20.974666
"97908"	127.017863	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M-H+Cl"	33.962126
"537102"	182.036263	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M-H+Cl"	33.962126
"932074"	71.999463	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-H+Cl"	33.962126
"270996"	255.043002	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+Cl"	34.969402
"665970"	365.079802	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+Cl"	34.969402
"1280926"	145.006202	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Cl"	34.969402
"18377"	257.022206	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M-2H+K"	36.948606
"457209"	367.059006	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M-2H+K"	36.948606
"833632"	146.985406	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-2H+K"	36.948606
"1557404"	146.985406	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+K-2H"	36.948606
"943139"	155.034994	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-H+HCOOH"	44.998194
"361720"	265.071801	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+HCOOH-H"	44.998201
"350667"	279.087451	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+Hac-H"	59.013851
"1498046"	169.050651	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Hac-H"	59.013851
"963400"	177.016951	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-H+NaCOOH"	66.980151
"115953"	145.006202	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+2Cl"	69.938804
"556248"	200.024602	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+2Cl"	69.938804
"1026502"	89.987802	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2Cl"	69.938804
"1244258"	188.955685	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Br"	78.918885
"1309260"	191.011672	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Cl+HCOOH"	80.974872
"1322744"	212.993629	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Cl+NaCOOH"	102.956829
"912709"	223.022386	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M-H+CF3COOH"	112.985586
"1290511"	258.999064	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Cl+CF3COOH"	148.962264
"1370494"	75.024124	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H-2H2O"	-35.012676
"1386899"	93.0341	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H-H2O"	-17.0027
"289137"	221.080876	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+H"	1.007276
"680468"	331.117676	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+H"	1.007276
"1355357"	111.044076	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H"	1.007276
"128247"	111.044076	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+2H"	2.014552
"569995"	166.062476	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+2H"	2.014552
"1043170"	56.025676	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2H"	2.014552
"215446"	74.3651426666667	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+3H"	3.021828
"647351"	111.044076	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+3H"	3.021828
"1165840"	37.6862093333333	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+3H"	3.021828
"426559"	238.107423	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+NH4"	18.033823
"786704"	348.144223	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+NH4"	18.033823
"1681423"	128.070623	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+NH4"	18.033823
"334357"	119.5573495	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+H+NH4"	19.041099
"724225"	174.5757495	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+H+NH4"	19.041099
"1477677"	64.5389495	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H+NH4"	19.041099
"398187"	243.062818	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+Na"	22.989218
"760640"	353.099618	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+Na"	22.989218
"1606551"	133.026018	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Na"	22.989218
"314758"	122.035047	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+H+Na"	23.996494
"709738"	177.053447	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+H+Na"	23.996494
"1461972"	67.016647	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H+Na"	23.996494
"1057897"	45.0135233333333	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2H+Na"	25.00377
"1260670"	143.070286	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+CH3OH+H"	33.033486
"381434"	259.036758	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+K"	38.963158
"742425"	369.073558	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+K"	38.963158
"1544483"	148.999958	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+K"	38.963158
"299836"	130.022017	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+H+K"	39.970434
"697365"	185.040417	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+H+K"	39.970434
"1452277"	75.003617	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H+K"	39.970434
"241975"	262.107426	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+ACN+H"	42.033826
"1217965"	152.070626	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+ACN+H"	42.033826
"1197472"	76.538951	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+ACN+2H"	43.041102
"189856"	265.04476	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+2Na-H"	44.97116
"630991"	375.08156	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+2Na-H"	44.97116
"1134504"	155.00796	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2Na-H"	44.97116
"185452"	133.026018	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+2Na"	45.978436
"626106"	188.044418	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+2Na"	45.978436
"1120867"	78.007618	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2Na"	45.978436
"1401840"	52.3408373333333	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H+2Na"	46.985712
"1443074"	157.049546	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H+HCOOH"	47.012746
"232769"	138.05904	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+3H2O+2H"	56.04448
"1517550"	171.10159	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+IsoProp+H"	61.06479
"413957"	141.012988	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+Na+K"	61.952376
"772764"	196.031388	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+Na+K"	61.952376
"1672375"	85.994588	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Na+K"	61.952376
"256707"	284.089368	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+ACN+Na"	64.015768
"1230510"	174.052568	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+ACN+Na"	64.015768
"1723769"	174.076093	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+NH4+HCOOH"	64.039293
"1190217"	59.6681513333333	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+3Na"	68.967654
"1660111"	179.031488	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Na+HCOOH"	68.994688
"165880"	296.99264	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+2K-H"	76.91904
"602160"	407.02944	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+2K-H"	76.91904
"1096516"	186.95584	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2K-H"	76.91904
"152237"	148.999958	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"2M+2K"	77.926316
"591798"	204.018358	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"3M+2K"	77.926316
"1073031"	93.981558	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2K"	77.926316
"1111711"	188.970392	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2K+H"	78.933592
"1341539"	189.058007	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+DMSO+H"	79.021207
"1011165"	193.097176	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2ACN+H"	83.060376
"1528197"	194.090808	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+IsoProp+Na+H"	84.054008
"999019"	97.052226	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+2ACN+2H"	84.067652
"1596803"	195.005428	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+K+HCOOH"	84.968628
"1418088"	225.036938	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+H+CF3COOH"	115.000138
"1151655"	117.565501	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+3ACN+2H"	125.094202
"1704491"	242.063485	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+NH4+CF3COOH"	132.026685
"1647798"	247.01888	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+Na+CF3COOH"	136.98208
"1586727"	262.99282	"C01751"	"Resorcinol;Resorcin;13-Benzenediol;13-Dihydroxybenzene;m-Hydroquinone"	"C6H6O2"	"110.0368"	"M+K+CF3COOH"	152.95602
"813812"	192.0423	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M"	0
"981881"	173.02391	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"64651"	127.020924	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"505308"	191.035024	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"882379"	63.006824	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"2411"	191.035024	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"443796"	287.056174	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"825612"	95.013874	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"88884"	383.077324	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"528083"	575.119624	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"897741"	191.035024	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"48227"	400.103871	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"487664"	592.146171	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"865710"	208.061571	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"33488"	405.059266	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"471714"	597.101566	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"858884"	213.016966	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1626230"	213.016966	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"99476"	209.023363	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"539399"	305.044513	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"931820"	113.002213	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"273294"	419.054002	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"667905"	611.096302	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1279944"	227.011702	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"19581"	421.033206	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"458412"	613.075506	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"836213"	228.990906	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1556785"	228.990906	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"943206"	237.040494	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"363247"	429.082801	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"348225"	443.098451	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1498156"	251.056151	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"964238"	259.022451	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"116792"	227.011702	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"558545"	323.032852	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1028436"	130.990552	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1244005"	270.961185	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1311556"	273.017172	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1323584"	294.999129	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"913548"	305.027886	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1291351"	341.004564	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1370967"	157.029624	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1387008"	175.0396	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"288883"	385.091876	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"676931"	577.134176	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1355469"	193.049576	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"129451"	193.049576	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"573385"	289.070726	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1048748"	97.028426	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"218471"	129.035476	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"648554"	193.049576	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1165586"	65.021376	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"426671"	402.118423	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"786572"	594.160723	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1682051"	210.076123	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"333374"	201.5628495	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"723606"	297.5839995	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1477382"	105.5416995	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"399390"	407.073818	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"759657"	599.116118	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1606661"	215.031518	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"315232"	204.040547	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"708509"	300.061697	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1462204"	108.019397	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1058371"	72.34869	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1264062"	225.075786	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"385918"	423.047758	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"742539"	615.090058	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1544594"	231.005458	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"301770"	212.027517	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"698568"	308.048667	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1452387"	116.006367	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"247554"	426.118426	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1220991"	234.076126	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1198675"	117.541701	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"189845"	429.05576	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"629523"	621.09806	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1134614"	237.01346	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"184469"	215.031518	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"625853"	311.052668	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1127540"	119.010368	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1404504"	79.676004	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1444278"	239.055046	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"232879"	220.06454	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1517660"	253.10709	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"417347"	223.018488	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"778342"	319.039638	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1673578"	126.997338	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"263379"	448.100368	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1232807"	256.058068	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1722786"	256.081593	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1190327"	87.003318	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1660221"	261.036988	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"164897"	461.00364	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"602270"	653.04594	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1094437"	268.96134	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"150159"	231.005458	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"593001"	327.026608	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1079703"	134.984308	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1112914"	270.975892	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1343831"	271.063507	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1011274"	275.102676	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1530493"	276.096308	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"999129"	138.054976	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1598006"	277.010928	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1423665"	307.042438	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1152860"	158.568251	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1707880"	324.068985	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1645719"	329.02438	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1586837"	344.99832	"C01752"	"Scopoletin"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"810641"	414.3862	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M"	0
"986365"	395.36781	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-H2O-H"	-19.01839
"67313"	275.250190666667	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M-3H"	-3.021828
"504326"	413.378924	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M-3H"	-3.021828
"882853"	137.121457333333	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-3H"	-3.021828
"2887"	413.378924	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M-2H"	-2.014552
"442450"	620.572024	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M-2H"	-2.014552
"824629"	206.185824	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-2H"	-2.014552
"88995"	827.765124	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M-H"	-1.007276
"527463"	1242.151324	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M-H"	-1.007276
"897610"	413.378924	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-H"	-1.007276
"48705"	844.791671	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M-2H+NH4"	16.019271
"487531"	1259.177871	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M-2H+NH4"	16.019271
"865457"	430.405471	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-2H+NH4"	16.019271
"32383"	849.747066	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M-2H+Na"	20.974666
"473530"	1264.133266	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M-2H+Na"	20.974666
"862274"	435.360866	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-2H+Na"	20.974666
"1629620"	435.360866	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Na-2H"	20.974666
"102865"	431.367263	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M-H+Cl"	33.962126
"541331"	638.560363	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M-H+Cl"	33.962126
"933753"	224.174163	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-H+Cl"	33.962126
"275591"	863.741802	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+Cl"	34.969402
"665463"	1278.128002	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+Cl"	34.969402
"1278232"	449.355602	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Cl"	34.969402
"21879"	865.721006	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M-2H+K"	36.948606
"459617"	1280.107206	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M-2H+K"	36.948606
"836689"	451.334806	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-2H+K"	36.948606
"1558354"	451.334806	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+K-2H"	36.948606
"944047"	459.384394	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-H+HCOOH"	44.998194
"363359"	873.770601	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+HCOOH-H"	44.998201
"347240"	887.786251	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+Hac-H"	59.013851
"1501546"	473.400051	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Hac-H"	59.013851
"966900"	481.366351	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-H+NaCOOH"	66.980151
"116902"	449.355602	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+2Cl"	69.938804
"559384"	656.548702	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+2Cl"	69.938804
"1030733"	242.162502	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2Cl"	69.938804
"1249219"	493.305085	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Br"	78.918885
"1311666"	495.361072	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Cl+HCOOH"	80.974872
"1326975"	517.343029	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Cl+NaCOOH"	102.956829
"913659"	527.371786	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M-H+CF3COOH"	112.985586
"1289638"	563.348464	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Cl+CF3COOH"	148.962264
"1371805"	379.373524	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H-2H2O"	-35.012676
"1384566"	397.3835	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H-H2O"	-17.0027
"285712"	829.779676	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+H"	1.007276
"677405"	1244.165876	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+H"	1.007276
"1357766"	415.393476	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H"	1.007276
"129561"	415.393476	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+2H"	2.014552
"575682"	622.586576	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+2H"	2.014552
"1051411"	208.200376	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2H"	2.014552
"219311"	277.264742666667	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+3H"	3.021828
"651943"	415.393476	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+3H"	3.021828
"1168976"	139.136009333333	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+3H"	3.021828
"425687"	846.806223	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+NH4"	18.033823
"787777"	1261.192423	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+NH4"	18.033823
"1683014"	432.420023	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+NH4"	18.033823
"331657"	423.9067495	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+H+NH4"	19.041099
"723058"	631.0998495	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+H+NH4"	19.041099
"1477063"	216.7136495	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H+NH4"	19.041099
"392974"	851.761618	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+Na"	22.989218
"754578"	1266.147818	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+Na"	22.989218
"1604218"	437.375418	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Na"	22.989218
"316437"	426.384447	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+H+Na"	23.996494
"707767"	633.577547	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+H+Na"	23.996494
"1463411"	219.191347	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H+Na"	23.996494
"1054834"	146.463323333333	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2H+Na"	25.00377
"1267452"	447.419686	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+CH3OH+H"	33.033486
"382748"	867.735558	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+K"	38.963158
"740826"	1282.121758	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+K"	38.963158
"1547984"	453.349358	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+K"	38.963158
"299328"	434.371417	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+H+K"	39.970434
"698676"	641.564517	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+H+K"	39.970434
"1452497"	227.178317	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H+K"	39.970434
"245474"	870.806226	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+ACN+H"	42.033826
"1219276"	456.420026	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+ACN+H"	42.033826
"1203159"	228.713651	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+ACN+2H"	43.041102
"198218"	873.74356	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+2Na-H"	44.97116
"634498"	1288.12976	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+2Na-H"	44.97116
"1138003"	459.35736	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2Na-H"	44.97116
"184943"	437.375418	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+2Na"	45.978436
"625598"	644.568518	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+2Na"	45.978436
"1128745"	230.182318	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2Na"	45.978436
"1413729"	153.790637333333	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H+2Na"	46.985712
"1440011"	461.398946	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H+HCOOH"	47.012746
"232989"	442.40844	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+3H2O+2H"	56.04448
"1517770"	475.45099	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+IsoProp+H"	61.06479
"417457"	445.362388	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+Na+K"	61.952376
"781732"	652.555488	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+Na+K"	61.952376
"1675875"	238.169288	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Na+K"	61.952376
"264582"	892.788168	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+ACN+Na"	64.015768
"1234010"	478.401968	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+ACN+Na"	64.015768
"1720709"	478.425493	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+NH4+HCOOH"	64.039293
"1193353"	161.117951333333	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+3Na"	68.967654
"1663611"	483.380888	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Na+HCOOH"	68.994688
"165007"	905.69144	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+2K-H"	76.91904
"606754"	1320.07764	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+2K-H"	76.91904
"1096734"	491.30524	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2K-H"	76.91904
"149176"	453.349358	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"2M+2K"	77.926316
"592018"	660.542458	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"3M+2K"	77.926316
"1079813"	246.156258	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2K"	77.926316
"1113023"	493.319792	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2K+H"	78.933592
"1343941"	493.407407	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+DMSO+H"	79.021207
"1013572"	497.446576	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2ACN+H"	83.060376
"1528416"	498.440208	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+IsoProp+Na+H"	84.054008
"1001426"	249.226926	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+2ACN+2H"	84.067652
"1599575"	499.354828	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+K+HCOOH"	84.968628
"1423776"	529.386338	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+H+CF3COOH"	115.000138
"1152970"	269.740201	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+3ACN+2H"	125.094202
"1707990"	546.412885	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+NH4+CF3COOH"	132.026685
"1644736"	551.36828	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+Na+CF3COOH"	136.98208
"1586947"	567.34222	"C01753"	"beta-Sitosterol;Sitosterol"	"C29H50O"	"414.3862"	"M+K+CF3COOH"	152.95602
"812943"	58.983	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M"	0
"979913"	39.96461	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-H2O-H"	-19.01839
"68156"	38.314724	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M-3H"	-3.021828
"510999"	57.975724	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M-3H"	-3.021828
"882239"	18.653724	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-3H"	-3.021828
"1906"	57.975724	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M-2H"	-2.014552
"440617"	87.467224	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M-2H"	-2.014552
"824739"	28.484224	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-2H"	-2.014552
"91291"	116.958724	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M-H"	-1.007276
"526481"	175.941724	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M-H"	-1.007276
"897720"	57.975724	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-H"	-1.007276
"51002"	133.985271	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M-2H+NH4"	16.019271
"489469"	192.968271	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M-2H+NH4"	16.019271
"865204"	75.002271	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-2H+NH4"	16.019271
"32375"	138.940666	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M-2H+Na"	20.974666
"486768"	197.923666	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M-2H+Na"	20.974666
"863116"	79.957666	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-2H+Na"	20.974666
"1631919"	79.957666	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Na-2H"	20.974666
"102979"	75.964063	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M-H+Cl"	33.962126
"543630"	105.455563	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M-H+Cl"	33.962126
"933866"	46.472563	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-H+Cl"	33.962126
"274610"	152.935402	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+Cl"	34.969402
"669218"	211.918402	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+Cl"	34.969402
"1278342"	93.952402	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Cl"	34.969402
"19803"	154.914606	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M-2H+K"	36.948606
"461552"	213.897606	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M-2H+K"	36.948606
"840446"	95.931606	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-2H+K"	36.948606
"1567213"	95.931606	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+K-2H"	36.948606
"945618"	103.981194	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-H+HCOOH"	44.998194
"365658"	162.964201	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+HCOOH-H"	44.998201
"347353"	176.979851	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+Hac-H"	59.013851
"1501656"	117.996851	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Hac-H"	59.013851
"962637"	125.963151	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-H+NaCOOH"	66.980151
"122848"	93.952402	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+2Cl"	69.938804
"562047"	123.443902	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+2Cl"	69.938804
"1034126"	64.460902	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2Cl"	69.938804
"1247144"	137.901885	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Br"	78.918885
"1312872"	139.957872	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Cl+HCOOH"	80.974872
"1325995"	161.939829	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Cl+NaCOOH"	102.956829
"917052"	171.968586	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M-H+CF3COOH"	112.985586
"1292666"	207.945264	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Cl+CF3COOH"	148.962264
"1371920"	23.970324	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H-2H2O"	-35.012676
"1388322"	41.9803	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H-H2O"	-17.0027
"284730"	118.973276	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+H"	1.007276
"681527"	177.956276	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+H"	1.007276
"1357876"	59.990276	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H"	1.007276
"139512"	59.990276	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+2H"	2.014552
"576886"	89.481776	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+2H"	2.014552
"1051764"	30.498776	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2H"	2.014552
"215775"	40.329276	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+3H"	3.021828
"655699"	59.990276	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+3H"	3.021828
"1164713"	20.668276	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+3H"	3.021828
"426891"	135.999823	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+NH4"	18.033823
"786793"	194.982823	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+NH4"	18.033823
"1683124"	77.016823	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+NH4"	18.033823
"331406"	68.5035495	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+H+NH4"	19.041099
"722858"	97.9950495	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+H+NH4"	19.041099
"1477278"	39.0120495	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H+NH4"	19.041099
"394869"	140.955218	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+Na"	22.989218
"754357"	199.938218	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+Na"	22.989218
"1603227"	81.972218	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Na"	22.989218
"314514"	70.981247	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+H+Na"	23.996494
"707265"	100.472747	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+H+Na"	23.996494
"1462064"	41.489747	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H+Na"	23.996494
"1059322"	27.99559	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2H+Na"	25.00377
"1261002"	92.016486	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+CH3OH+H"	33.033486
"381764"	156.929158	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+K"	38.963158
"741302"	215.912158	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+K"	38.963158
"1543721"	97.946158	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+K"	38.963158
"298717"	78.968217	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+H+K"	39.970434
"691892"	108.459717	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+H+K"	39.970434
"1446402"	49.476717	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H+K"	39.970434
"235935"	159.999826	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+ACN+H"	42.033826
"1210271"	101.016826	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+ACN+H"	42.033826
"1194257"	51.012051	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+ACN+2H"	43.041102
"189050"	162.93716	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+2Na-H"	44.97116
"632414"	221.92016	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+2Na-H"	44.97116
"1131361"	103.95416	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2Na-H"	44.97116
"185053"	81.972218	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+2Na"	45.978436
"622061"	111.463718	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+2Na"	45.978436
"1130315"	52.480718	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2Na"	45.978436
"1413111"	35.322904	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H+2Na"	46.985712
"1440121"	105.995746	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H+HCOOH"	47.012746
"227629"	87.00524	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+3H2O+2H"	56.04448
"1515693"	120.04779	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+IsoProp+H"	61.06479
"415380"	89.959188	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+Na+K"	61.952376
"781842"	119.450688	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+Na+K"	61.952376
"1674892"	60.467688	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Na+K"	61.952376
"260319"	181.981768	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+ACN+Na"	64.015768
"1230840"	122.998768	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+ACN+Na"	64.015768
"1715352"	123.022293	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+NH4+HCOOH"	64.039293
"1187267"	42.650218	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+3Na"	68.967654
"1659348"	127.977688	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Na+HCOOH"	68.994688
"164024"	194.88504	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+2K-H"	76.91904
"603584"	253.86804	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+2K-H"	76.91904
"1094657"	135.90204	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2K-H"	76.91904
"147100"	97.946158	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"2M+2K"	77.926316
"583013"	127.437658	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"3M+2K"	77.926316
"1079923"	68.454658	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2K"	77.926316
"1102198"	137.916592	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2K+H"	78.933592
"1337124"	138.004207	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+DMSO+H"	79.021207
"1014776"	142.043376	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2ACN+H"	83.060376
"1529619"	143.037008	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+IsoProp+Na+H"	84.054008
"999349"	71.525326	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+2ACN+2H"	84.067652
"1599320"	143.951628	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+K+HCOOH"	84.968628
"1422793"	173.983138	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+H+CF3COOH"	115.000138
"1160736"	92.038601	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+3ACN+2H"	125.094202
"1709196"	191.009685	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+NH4+CF3COOH"	132.026685
"1645939"	195.96508	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+Na+CF3COOH"	136.98208
"1580498"	211.93902	"C01755"	"Thiocyanate;Thiocyanic acid"	"CHNS"	"58.983"	"M+K+CF3COOH"	152.95602
"810866"	152.0157	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M"	0
"978930"	132.99731	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-H2O-H"	-19.01839
"71546"	100.336524	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M-3H"	-3.021828
"511109"	151.008424	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M-3H"	-3.021828
"888911"	49.664624	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-3H"	-3.021828
"6393"	151.008424	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M-2H"	-2.014552
"442672"	227.016274	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M-2H"	-2.014552
"829225"	75.000574	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-2H"	-2.014552
"89214"	303.024124	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M-H"	-1.007276
"529872"	455.039824	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M-H"	-1.007276
"904391"	151.008424	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-H"	-1.007276
"52207"	320.050671	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M-2H+NH4"	16.019271
"491767"	472.066371	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M-2H+NH4"	16.019271
"867379"	168.034971	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-2H+NH4"	16.019271
"34188"	325.006066	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M-2H+Na"	20.974666
"478128"	477.021766	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M-2H+Na"	20.974666
"859213"	172.990366	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-2H+Na"	20.974666
"1631301"	172.990366	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Na-2H"	20.974666
"103089"	168.996763	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M-H+Cl"	33.962126
"537907"	245.004613	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M-H+Cl"	33.962126
"928870"	92.988913	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-H+Cl"	33.962126
"272533"	339.000802	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+Cl"	34.969402
"666049"	491.016502	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+Cl"	34.969402
"1278453"	186.985102	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Cl"	34.969402
"21009"	340.980006	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M-2H+K"	36.948606
"460570"	492.995706	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M-2H+K"	36.948606
"840558"	188.964306	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-2H+K"	36.948606
"1566231"	188.964306	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+K-2H"	36.948606
"949739"	197.013894	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-H+HCOOH"	44.998194
"364675"	349.029601	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+HCOOH-H"	44.998201
"348558"	363.045251	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+Hac-H"	59.013851
"1500673"	211.029551	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Hac-H"	59.013851
"960562"	218.995851	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-H+NaCOOH"	66.980151
"121865"	186.985102	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+2Cl"	69.938804
"563250"	262.992952	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+2Cl"	69.938804
"1037056"	110.977252	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2Cl"	69.938804
"1251629"	230.934585	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Br"	78.918885
"1310797"	232.990572	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Cl+HCOOH"	80.974872
"1330845"	254.972529	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Cl+NaCOOH"	102.956829
"919350"	265.001286	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M-H+CF3COOH"	112.985586
"1298244"	300.977964	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Cl+CF3COOH"	148.962264
"1375310"	117.003024	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H-2H2O"	-35.012676
"1388432"	135.013	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H-H2O"	-17.0027
"283748"	305.038676	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+H"	1.007276
"683824"	457.054376	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+H"	1.007276
"1357986"	153.022976	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H"	1.007276
"137436"	153.022976	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+2H"	2.014552
"578819"	229.030826	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+2H"	2.014552
"1051634"	77.015126	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2H"	2.014552
"214792"	102.351076	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+3H"	3.021828
"655443"	153.022976	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+3H"	3.021828
"1173569"	51.679176	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+3H"	3.021828
"436842"	322.065223	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+NH4"	18.033823
"795651"	474.080923	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+NH4"	18.033823
"1686513"	170.049523	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+NH4"	18.033823
"332610"	161.5362495	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+H+NH4"	19.041099
"723206"	237.5440995	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+H+NH4"	19.041099
"1478242"	85.5283995	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H+NH4"	19.041099
"393886"	327.020618	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+Na"	22.989218
"754999"	479.036318	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+Na"	22.989218
"1604433"	175.004918	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Na"	22.989218
"315562"	164.013947	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+H+Na"	23.996494
"707500"	240.021797	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+H+Na"	23.996494
"1462538"	88.006097	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H+Na"	23.996494
"1060525"	59.00649	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2H+Na"	25.00377
"1263299"	185.049186	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+CH3OH+H"	33.033486
"381874"	342.994558	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+K"	38.963158
"741410"	495.010258	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+K"	38.963158
"1543831"	190.978858	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+K"	38.963158
"299539"	172.000917	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+H+K"	39.970434
"691722"	248.008767	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+H+K"	39.970434
"1446152"	95.993067	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H+K"	39.970434
"236937"	346.065226	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+ACN+H"	42.033826
"1213296"	194.049526	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+ACN+H"	42.033826
"1195721"	97.528401	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+ACN+2H"	43.041102
"188917"	349.00256	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+2Na-H"	44.97116
"630702"	501.01826	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+2Na-H"	44.97116
"1131506"	196.98686	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2Na-H"	44.97116
"185527"	175.004918	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+2Na"	45.978436
"624723"	251.012768	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+2Na"	45.978436
"1130549"	98.997068	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2Na"	45.978436
"1413220"	66.333804	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H+2Na"	46.985712
"1443270"	199.028446	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H+HCOOH"	47.012746
"231019"	180.03794	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+3H2O+2H"	56.04448
"1519810"	213.08049	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+IsoProp+H"	61.06479
"419496"	182.991888	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+Na+K"	61.952376
"780859"	258.999738	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+Na+K"	61.952376
"1676095"	106.984038	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Na+K"	61.952376
"261522"	368.047168	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+ACN+Na"	64.015768
"1230950"	216.031468	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+ACN+Na"	64.015768
"1718742"	216.054993	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+NH4+HCOOH"	64.039293
"1189563"	73.661118	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+3Na"	68.967654
"1662738"	221.010388	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Na+HCOOH"	68.994688
"164134"	380.95044	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+2K-H"	76.91904
"604787"	532.96614	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+2K-H"	76.91904
"1094767"	228.93474	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2K-H"	76.91904
"146116"	190.978858	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"2M+2K"	77.926316
"582393"	266.986708	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"3M+2K"	77.926316
"1081126"	114.971008	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2K"	77.926316
"1102309"	230.949292	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2K+H"	78.933592
"1336627"	231.036907	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+DMSO+H"	79.021207
"1012699"	235.076076	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2ACN+H"	83.060376
"1530822"	236.069708	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+IsoProp+Na+H"	84.054008
"999459"	118.041676	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+2ACN+2H"	84.067652
"1596150"	236.984328	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+K+HCOOH"	84.968628
"1423996"	267.015838	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+H+CF3COOH"	115.000138
"1158659"	138.554951	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+3ACN+2H"	125.094202
"1708212"	284.042385	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+NH4+CF3COOH"	132.026685
"1646049"	288.99778	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+Na+CF3COOH"	136.98208
"1580608"	304.97172	"C01756"	"Thiopurine"	"C5H4N4S"	"152.0157"	"M+K+CF3COOH"	152.95602
"807692"	144.0423	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M"	0
"979040"	125.02391	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-H2O-H"	-19.01839
"68376"	95.020924	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M-3H"	-3.021828
"505748"	143.035024	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M-3H"	-3.021828
"884645"	47.006824	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-3H"	-3.021828
"6503"	143.035024	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M-2H"	-2.014552
"443875"	215.056174	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M-2H"	-2.014552
"831156"	71.013874	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-2H"	-2.014552
"89324"	287.077324	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M-H"	-1.007276
"531075"	431.119624	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M-H"	-1.007276
"902315"	143.035024	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-H"	-1.007276
"54503"	304.103871	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M-2H+NH4"	16.019271
"492970"	448.146171	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M-2H+NH4"	16.019271
"868582"	160.061571	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-2H+NH4"	16.019271
"35391"	309.059266	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M-2H+Na"	20.974666
"478238"	453.101566	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M-2H+Na"	20.974666
"861510"	165.016966	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-2H+Na"	20.974666
"1631775"	165.016966	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Na-2H"	20.974666
"100647"	161.023363	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M-H+Cl"	33.962126
"537653"	233.044513	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M-H+Cl"	33.962126
"929709"	89.002213	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-H+Cl"	33.962126
"272643"	323.054002	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+Cl"	34.969402
"663971"	467.096302	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+Cl"	34.969402
"1278562"	179.011702	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Cl"	34.969402
"21119"	325.033206	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M-2H+K"	36.948606
"458492"	469.075506	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M-2H+K"	36.948606
"834107"	180.990906	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-2H+K"	36.948606
"1559780"	180.990906	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+K-2H"	36.948606
"944380"	189.040494	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-H+HCOOH"	44.998194
"362958"	333.082801	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+HCOOH-H"	44.998201
"347206"	347.098451	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+Hac-H"	59.013851
"1497503"	203.056151	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Hac-H"	59.013851
"961765"	211.022451	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-H+NaCOOH"	66.980151
"123068"	179.011702	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+2Cl"	69.938804
"563724"	251.032852	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+2Cl"	69.938804
"1035075"	106.990552	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2Cl"	69.938804
"1249553"	222.961185	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Br"	78.918885
"1312001"	225.017172	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Cl+HCOOH"	80.974872
"1329496"	246.999129	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Cl+NaCOOH"	102.956829
"920553"	257.027886	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M-H+CF3COOH"	112.985586
"1299448"	293.004564	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Cl+CF3COOH"	148.962264
"1378700"	109.029624	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H-2H2O"	-35.012676
"1388542"	127.0396	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H-H2O"	-17.0027
"284951"	289.091876	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+H"	1.007276
"682841"	433.134176	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+H"	1.007276
"1358096"	145.049576	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H"	1.007276
"134266"	145.049576	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+2H"	2.014552
"577105"	217.070726	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+2H"	2.014552
"1051374"	73.028426	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2H"	2.014552
"212714"	97.035476	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+3H"	3.021828
"655190"	145.049576	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+3H"	3.021828
"1172587"	49.021376	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+3H"	3.021828
"432579"	306.118423	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+NH4"	18.033823
"791387"	450.160723	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+NH4"	18.033823
"1685531"	162.076123	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+NH4"	18.033823
"333450"	153.5628495	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+H+NH4"	19.041099
"723192"	225.5839995	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+H+NH4"	19.041099
"1479324"	81.5416995	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H+NH4"	19.041099
"394360"	311.073818	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+Na"	22.989218
"756081"	455.116118	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+Na"	22.989218
"1605271"	167.031518	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Na"	22.989218
"316767"	156.040547	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+H+Na"	23.996494
"708705"	228.061697	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+H+Na"	23.996494
"1462649"	84.019397	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H+Na"	23.996494
"1061728"	56.34869	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2H+Na"	25.00377
"1263409"	177.075786	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+CH3OH+H"	33.033486
"381984"	327.047758	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+K"	38.963158
"740792"	471.090058	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+K"	38.963158
"1543941"	183.005458	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+K"	38.963158
"299167"	164.027517	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+H+K"	39.970434
"691713"	236.048667	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+H+K"	39.970434
"1448450"	92.006367	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H+K"	39.970434
"237051"	330.118426	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+ACN+H"	42.033826
"1215228"	186.076126	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+ACN+H"	42.033826
"1195832"	93.541701	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+ACN+2H"	43.041102
"191256"	333.05576	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+2Na-H"	44.97116
"631539"	477.09806	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+2Na-H"	44.97116
"1131644"	189.01346	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2Na-H"	44.97116
"185637"	167.031518	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+2Na"	45.978436
"624468"	239.052668	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+2Na"	45.978436
"1130172"	95.010368	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2Na"	45.978436
"1412113"	63.676004	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H+2Na"	46.985712
"1440341"	191.055046	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H+HCOOH"	47.012746
"229671"	172.06454	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+3H2O+2H"	56.04448
"1518826"	205.10709	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+IsoProp+H"	61.06479
"418512"	175.018488	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+Na+K"	61.952376
"780969"	247.039638	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+Na+K"	61.952376
"1677298"	102.997338	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Na+K"	61.952376
"262725"	352.100368	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+ACN+Na"	64.015768
"1232153"	208.058068	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+ACN+Na"	64.015768
"1718852"	208.081593	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+NH4+HCOOH"	64.039293
"1189673"	71.003318	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+3Na"	68.967654
"1656288"	213.036988	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Na+HCOOH"	68.994688
"164244"	365.00364	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+2K-H"	76.91904
"603804"	509.04594	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+2K-H"	76.91904
"1094877"	220.96134	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2K-H"	76.91904
"146226"	183.005458	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"2M+2K"	77.926316
"582140"	255.026608	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"3M+2K"	77.926316
"1081236"	110.984308	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2K"	77.926316
"1103512"	222.975892	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2K+H"	78.933592
"1336250"	223.063507	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+DMSO+H"	79.021207
"1013903"	227.102676	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2ACN+H"	83.060376
"1532023"	228.096308	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+IsoProp+Na+H"	84.054008
"997382"	114.054976	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+2ACN+2H"	84.067652
"1598447"	229.010928	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+K+HCOOH"	84.968628
"1424106"	259.042438	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+H+CF3COOH"	115.000138
"1160835"	134.568251	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+3ACN+2H"	125.094202
"1710509"	276.068985	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+NH4+CF3COOH"	132.026685
"1647252"	281.02438	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+Na+CF3COOH"	136.98208
"1580718"	296.99832	"C01757"	"Triacetate;35-Dioxo-hexanoic acid"	"C6H8O4"	"144.0423"	"M+K+CF3COOH"	152.95602
"807802"	454.2275	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M"	0
"981337"	435.20911	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-H2O-H"	-19.01839
"68486"	301.811057333333	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M-3H"	-3.021828
"505859"	453.220224	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M-3H"	-3.021828
"883662"	150.401890666667	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-3H"	-3.021828
"6613"	453.220224	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M-2H"	-2.014552
"443986"	680.333974	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M-2H"	-2.014552
"830174"	226.106474	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-2H"	-2.014552
"89434"	907.447724	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M-H"	-1.007276
"531793"	1361.675224	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M-H"	-1.007276
"903518"	453.220224	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-H"	-1.007276
"54613"	924.474271	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M-2H+NH4"	16.019271
"491986"	1378.701771	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M-2H+NH4"	16.019271
"868693"	470.246771	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-2H+NH4"	16.019271
"35501"	929.429666	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M-2H+Na"	20.974666
"481628"	1383.657166	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M-2H+Na"	20.974666
"859433"	475.202166	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-2H+Na"	20.974666
"1630059"	475.202166	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Na-2H"	20.974666
"102215"	471.208563	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M-H+Cl"	33.962126
"539223"	698.322313	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M-H+Cl"	33.962126
"930550"	244.094813	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-H+Cl"	33.962126
"276033"	943.424402	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+Cl"	34.969402
"664081"	1397.651902	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+Cl"	34.969402
"1280859"	489.196902	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Cl"	34.969402
"21229"	945.403606	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M-2H+K"	36.948606
"457509"	1399.631106	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M-2H+K"	36.948606
"836404"	491.176106	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-2H+K"	36.948606
"1563172"	491.176106	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+K-2H"	36.948606
"945583"	499.225694	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-H+HCOOH"	44.998194
"363800"	953.453201	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+HCOOH-H"	44.998201
"348047"	967.468851	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+Hac-H"	59.013851
"1497613"	513.241351	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Hac-H"	59.013851
"961874"	521.207651	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-H+NaCOOH"	66.980151
"122086"	489.196902	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+2Cl"	69.938804
"564199"	716.310652	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+2Cl"	69.938804
"1035916"	262.083152	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2Cl"	69.938804
"1256221"	533.146385	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Br"	78.918885
"1312111"	535.202372	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Cl+HCOOH"	80.974872
"1325232"	557.184329	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Cl+NaCOOH"	102.956829
"921757"	567.213086	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M-H+CF3COOH"	112.985586
"1299559"	603.189764	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Cl+CF3COOH"	148.962264
"1378811"	419.214824	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H-2H2O"	-35.012676
"1391933"	437.2248	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H-H2O"	-17.0027
"286155"	909.462276	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+H"	1.007276
"682951"	1363.689776	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+H"	1.007276
"1356020"	455.234776	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H"	1.007276
"136563"	455.234776	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+2H"	2.014552
"576852"	682.348526	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+2H"	2.014552
"1052337"	228.121026	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2H"	2.014552
"213918"	303.825609333333	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+3H"	3.021828
"653478"	455.234776	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+3H"	3.021828
"1171604"	152.416442666667	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+3H"	3.021828
"428314"	926.488823	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+NH4"	18.033823
"789311"	1380.716323	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+NH4"	18.033823
"1685643"	472.261323	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+NH4"	18.033823
"330397"	463.7480495	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+H+NH4"	19.041099
"723304"	690.8617995	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+H+NH4"	19.041099
"1479074"	236.6342995	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H+NH4"	19.041099
"394107"	931.444218	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+Na"	22.989218
"755828"	1385.671718	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+Na"	22.989218
"1605383"	477.216718	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Na"	22.989218
"317241"	466.225747	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+H+Na"	23.996494
"708329"	693.339497	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+H+Na"	23.996494
"1463126"	239.111997	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H+Na"	23.996494
"1056371"	159.743756666667	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2H+Na"	25.00377
"1260237"	487.260986	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+CH3OH+H"	33.033486
"383187"	947.418158	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+K"	38.963158
"739804"	1401.645658	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+K"	38.963158
"1540765"	493.190658	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+K"	38.963158
"301223"	474.212717	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+H+K"	39.970434
"692308"	701.326467	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+H+K"	39.970434
"1448560"	247.098967	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H+K"	39.970434
"238622"	950.488826	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+ACN+H"	42.033826
"1214245"	496.261326	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+ACN+H"	42.033826
"1199220"	248.634301	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+ACN+2H"	43.041102
"196466"	953.42616	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+2Na-H"	44.97116
"630556"	1407.65366	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+2Na-H"	44.97116
"1135160"	499.19866	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2Na-H"	44.97116
"185018"	477.216718	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+2Na"	45.978436
"622392"	704.330468	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+2Na"	45.978436
"1129913"	250.102968	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2Na"	45.978436
"1412588"	167.071070666667	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H+2Na"	46.985712
"1440452"	501.240246	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H+HCOOH"	47.012746
"229054"	482.24974	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+3H2O+2H"	56.04448
"1517114"	515.29229	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+IsoProp+H"	61.06479
"415706"	485.203688	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+Na+K"	61.952376
"777798"	712.317438	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+Na+K"	61.952376
"1677409"	258.089938	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Na+K"	61.952376
"262836"	972.470768	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+ACN+Na"	64.015768
"1235544"	518.243268	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+ACN+Na"	64.015768
"1714589"	518.266793	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+NH4+HCOOH"	64.039293
"1179943"	174.398384666667	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+3Na"	68.967654
"1656398"	523.222188	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Na+HCOOH"	68.994688
"164354"	985.37404	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+2K-H"	76.91904
"602820"	1439.60154	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+2K-H"	76.91904
"1094988"	531.14654	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2K-H"	76.91904
"144149"	493.190658	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"2M+2K"	77.926316
"582976"	720.304408	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"3M+2K"	77.926316
"1080253"	266.076908	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2K"	77.926316
"1101435"	533.161092	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2K+H"	78.933592
"1336238"	533.248707	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+DMSO+H"	79.021207
"1015106"	537.287876	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2ACN+H"	83.060376
"1531040"	538.281508	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+IsoProp+Na+H"	84.054008
"995306"	269.147576	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+2ACN+2H"	84.067652
"1598557"	539.196128	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+K+HCOOH"	84.968628
"1424216"	569.227638	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+H+CF3COOH"	115.000138
"1153410"	289.660851	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+3ACN+2H"	125.094202
"1699681"	586.254185	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+NH4+CF3COOH"	132.026685
"1647362"	591.20958	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+Na+CF3COOH"	136.98208
"1577548"	607.18352	"C01759"	"Ribostamycin;Vistamycin"	"C17H34N4O10"	"454.2275"	"M+K+CF3COOH"	152.95602
"804632"	224.1412	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M"	0
"984727"	205.12281	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-H2O-H"	-19.01839
"68596"	148.420190666667	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M-3H"	-3.021828
"505969"	223.133924	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M-3H"	-3.021828
"881585"	73.7064573333333	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-3H"	-3.021828
"6723"	223.133924	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M-2H"	-2.014552
"441909"	335.204524	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M-2H"	-2.014552
"831012"	111.063324	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-2H"	-2.014552
"89544"	447.275124	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M-H"	-1.007276
"531295"	671.416324	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M-H"	-1.007276
"901442"	223.133924	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-H"	-1.007276
"54724"	464.301671	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M-2H+NH4"	16.019271
"492096"	688.442871	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M-2H+NH4"	16.019271
"868803"	240.160471	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-2H+NH4"	16.019271
"34517"	469.257066	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M-2H+Na"	20.974666
"481738"	693.398266	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M-2H+Na"	20.974666
"859543"	245.115866	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-2H+Na"	20.974666
"1630168"	245.115866	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Na-2H"	20.974666
"100137"	241.122263	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M-H+Cl"	33.962126
"537510"	353.192863	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M-H+Cl"	33.962126
"932119"	129.051663	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-H+Cl"	33.962126
"272863"	483.251802	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+Cl"	34.969402
"666379"	707.393002	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+Cl"	34.969402
"1280969"	259.110602	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Cl"	34.969402
"21339"	485.231006	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M-2H+K"	36.948606
"459806"	709.372206	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M-2H+K"	36.948606
"840887"	261.089806	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-2H+K"	36.948606
"1564375"	261.089806	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+K-2H"	36.948606
"947153"	269.139394	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-H+HCOOH"	44.998194
"367192"	493.280601	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+HCOOH-H"	44.998201
"348888"	507.296251	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+Hac-H"	59.013851
"1497723"	283.155051	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Hac-H"	59.013851
"960162"	291.121351	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-H+NaCOOH"	66.980151
"118549"	259.110602	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+2Cl"	69.938804
"562486"	371.181202	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+2Cl"	69.938804
"1036390"	147.040002	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2Cl"	69.938804
"1256577"	303.060085	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Br"	78.918885
"1314408"	305.116072	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Cl+HCOOH"	80.974872
"1329716"	327.098029	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Cl+NaCOOH"	102.956829
"925877"	337.126786	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M-H+CF3COOH"	112.985586
"1301857"	373.103464	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Cl+CF3COOH"	148.962264
"1377829"	189.128524	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H-2H2O"	-35.012676
"1392043"	207.1385	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H-H2O"	-17.0027
"295013"	449.289676	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+H"	1.007276
"686341"	673.430876	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+H"	1.007276
"1358317"	225.148476	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H"	1.007276
"137766"	225.148476	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+2H"	2.014552
"579148"	337.219076	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+2H"	2.014552
"1052572"	113.077876	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2H"	2.014552
"214029"	150.434742666667	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+3H"	3.021828
"652495"	225.148476	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+3H"	3.021828
"1169526"	75.7210093333333	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+3H"	3.021828
"431706"	466.316223	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+NH4"	18.033823
"798169"	690.457423	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+NH4"	18.033823
"1685752"	242.175023	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+NH4"	18.033823
"336218"	233.6617495	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+H+NH4"	19.041099
"724995"	345.7323495	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+H+NH4"	19.041099
"1483555"	121.5911495	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H+NH4"	19.041099
"396765"	471.271618	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+Na"	22.989218
"757759"	695.412818	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+Na"	22.989218
"1605492"	247.130418	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Na"	22.989218
"316259"	236.139447	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+H+Na"	23.996494
"710140"	348.210047	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+H+Na"	23.996494
"1465423"	124.068847	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H+Na"	23.996494
"1054657"	83.0483233333333	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2H+Na"	25.00377
"1259255"	257.174686	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+CH3OH+H"	33.033486
"381111"	487.245558	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+K"	38.963158
"739308"	711.386758	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+K"	38.963158
"1541239"	263.104358	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+K"	38.963158
"300237"	244.126417	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+H+K"	39.970434
"692662"	356.197017	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+H+K"	39.970434
"1450856"	132.055817	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H+K"	39.970434
"238368"	490.316226	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+ACN+H"	42.033826
"1216542"	266.175026	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+ACN+H"	42.033826
"1197144"	133.591151	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+ACN+2H"	43.041102
"196576"	493.25356	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+2Na-H"	44.97116
"629576"	717.39476	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+2Na-H"	44.97116
"1133081"	269.11236	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2Na-H"	44.97116
"180756"	247.130418	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+2Na"	45.978436
"621409"	359.201018	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+2Na"	45.978436
"1128566"	135.059818	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2Na"	45.978436
"1413427"	90.3756373333333	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H+2Na"	46.985712
"1440562"	271.153946	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H+HCOOH"	47.012746
"229164"	252.16344	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+3H2O+2H"	56.04448
"1515038"	285.20599	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+IsoProp+H"	61.06479
"415816"	255.117388	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+Na+K"	61.952376
"772440"	367.187988	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+Na+K"	61.952376
"1675333"	143.046788	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Na+K"	61.952376
"261853"	512.298168	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+ACN+Na"	64.015768
"1233467"	288.156968	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+ACN+Na"	64.015768
"1715792"	288.180493	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+NH4+HCOOH"	64.039293
"1179323"	97.7029513333333	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+3Na"	68.967654
"1657600"	293.135888	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Na+HCOOH"	68.994688
"162275"	525.20144	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+2K-H"	76.91904
"604023"	749.34264	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+2K-H"	76.91904
"1092910"	301.06024	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2K-H"	76.91904
"143528"	263.104358	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"2M+2K"	77.926316
"584181"	375.174958	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"3M+2K"	77.926316
"1072709"	151.033758	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2K"	77.926316
"1100568"	303.074792	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2K+H"	78.933592
"1336340"	303.162407	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+DMSO+H"	79.021207
"1006214"	307.201576	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2ACN+H"	83.060376
"1525801"	308.195208	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+IsoProp+Na+H"	84.054008
"995416"	154.104426	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+2ACN+2H"	84.067652
"1592102"	309.109828	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+K+HCOOH"	84.968628
"1424326"	339.141338	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+H+CF3COOH"	115.000138
"1154613"	174.617701	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+3ACN+2H"	125.094202
"1699791"	356.167885	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+NH4+CF3COOH"	132.026685
"1646379"	361.12328	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+Na+CF3COOH"	136.98208
"1577658"	377.09722	"C01760"	"(6S9R)-Vomifoliol;(6S9R)-6-Hydroxy-3-oxo-alpha-ionol"	"C13H20O3"	"224.1412"	"M+K+CF3COOH"	152.95602
"808022"	350.163	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M"	0
"984837"	331.14461	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-H2O-H"	-19.01839
"71986"	232.434724	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M-3H"	-3.021828
"509359"	349.155724	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M-3H"	-3.021828
"882056"	115.713724	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-3H"	-3.021828
"4642"	349.155724	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M-2H"	-2.014552
"443110"	524.237224	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M-2H"	-2.014552
"826382"	174.074224	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-2H"	-2.014552
"85279"	699.318724	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M-H"	-1.007276
"533228"	1049.481724	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M-H"	-1.007276
"902645"	349.155724	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-H"	-1.007276
"54834"	716.345271	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M-2H+NH4"	16.019271
"493300"	1066.508271	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M-2H+NH4"	16.019271
"868914"	366.182271	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-2H+NH4"	16.019271
"35721"	721.300666	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M-2H+Na"	20.974666
"484035"	1071.463666	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M-2H+Na"	20.974666
"861840"	371.137666	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-2H+Na"	20.974666
"1633195"	371.137666	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Na-2H"	20.974666
"100246"	367.144063	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M-H+Cl"	33.962126
"544180"	542.225563	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M-H+Cl"	33.962126
"933321"	192.062563	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-H+Cl"	33.962126
"275158"	735.295402	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+Cl"	34.969402
"664300"	1085.458402	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+Cl"	34.969402
"1277797"	385.132402	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Cl"	34.969402
"19262"	737.274606	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M-2H+K"	36.948606
"458823"	1087.437606	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M-2H+K"	36.948606
"843184"	387.111606	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-2H+K"	36.948606
"1563391"	387.111606	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+K-2H"	36.948606
"950180"	395.161194	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-H+HCOOH"	44.998194
"369489"	745.324201	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+HCOOH-H"	44.998201
"350092"	759.339851	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+Hac-H"	59.013851
"1495644"	409.176851	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Hac-H"	59.013851
"964282"	417.143151	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-H+NaCOOH"	66.980151
"124127"	385.132402	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+2Cl"	69.938804
"562231"	560.213902	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+2Cl"	69.938804
"1036869"	210.050902	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2Cl"	69.938804
"1256931"	429.081885	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Br"	78.918885
"1319891"	431.137872	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Cl+HCOOH"	80.974872
"1335135"	453.119829	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Cl+NaCOOH"	102.956829
"926351"	463.148586	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M-H+CF3COOH"	112.985586
"1303873"	499.125264	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Cl+CF3COOH"	148.962264
"1382315"	315.150324	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H-2H2O"	-35.012676
"1392153"	333.1603	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H-H2O"	-17.0027
"296947"	701.333276	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+H"	1.007276
"686451"	1051.496276	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+H"	1.007276
"1359520"	351.170276	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H"	1.007276
"139336"	351.170276	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+2H"	2.014552
"577436"	526.251776	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+2H"	2.014552
"1052734"	176.088776	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2H"	2.014552
"218149"	234.449276	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+3H"	3.021828
"654792"	351.170276	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+3H"	3.021828
"1169636"	117.728276	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+3H"	3.021828
"436191"	718.359823	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+NH4"	18.033823
"798279"	1068.522823	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+NH4"	18.033823
"1691330"	368.196823	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+NH4"	18.033823
"340703"	359.6835495	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+H+NH4"	19.041099
"729845"	534.7650495	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+H+NH4"	19.041099
"1488037"	184.6020495	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H+NH4"	19.041099
"402342"	723.315218	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+Na"	22.989218
"763337"	1073.478218	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+Na"	22.989218
"1609250"	373.152218	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Na"	22.989218
"319289"	362.161247	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+H+Na"	23.996494
"714988"	537.242747	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+H+Na"	23.996494
"1466625"	187.079747	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H+Na"	23.996494
"1056589"	125.05559	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2H+Na"	25.00377
"1260458"	383.196486	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+CH3OH+H"	33.033486
"383408"	739.289158	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+K"	38.963158
"740029"	1089.452158	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+K"	38.963158
"1544267"	389.126158	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+K"	38.963158
"303631"	370.148217	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+H+K"	39.970434
"696053"	545.229717	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+H+K"	39.970434
"1454247"	195.066717	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H+K"	39.970434
"241758"	742.359826	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+ACN+H"	42.033826
"1217745"	392.196826	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+ACN+H"	42.033826
"1201628"	196.602051	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+ACN+2H"	43.041102
"200699"	745.29716	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+2Na-H"	44.97116
"636247"	1095.46016	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+2Na-H"	44.97116
"1133192"	395.13416	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2Na-H"	44.97116
"180866"	373.152218	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+2Na"	45.978436
"621519"	548.233718	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+2Na"	45.978436
"1131148"	198.070718	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2Na"	45.978436
"1414128"	132.382904	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H+2Na"	46.985712
"1443588"	397.175746	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H+HCOOH"	47.012746
"233283"	378.18524	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+3H2O+2H"	56.04448
"1519157"	411.22779	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+IsoProp+H"	61.06479
"413740"	381.139188	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+Na+K"	61.952376
"773644"	556.220688	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+Na+K"	61.952376
"1673255"	206.057688	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Na+K"	61.952376
"265972"	764.341768	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+ACN+Na"	64.015768
"1233577"	414.178768	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+ACN+Na"	64.015768
"1716995"	414.202293	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+NH4+HCOOH"	64.039293
"1181256"	139.710218	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+3Na"	68.967654
"1660990"	419.157688	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Na+HCOOH"	68.994688
"168946"	777.24504	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+2K-H"	76.91904
"605227"	1127.40804	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+2K-H"	76.91904
"1095207"	427.08204	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2K-H"	76.91904
"152020"	389.126158	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"2M+2K"	77.926316
"586114"	564.207658	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"3M+2K"	77.926316
"1070261"	214.044658	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2K"	77.926316
"1101769"	429.096592	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2K+H"	78.933592
"1336577"	429.184207	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+DMSO+H"	79.021207
"1007054"	433.223376	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2ACN+H"	83.060376
"1527976"	434.217008	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+IsoProp+Na+H"	84.054008
"999900"	217.115326	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+2ACN+2H"	84.067652
"1593308"	435.131628	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+K+HCOOH"	84.968628
"1424436"	465.163138	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+H+CF3COOH"	115.000138
"1159828"	237.628601	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+3ACN+2H"	125.094202
"1699901"	482.189685	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+NH4+CF3COOH"	132.026685
"1639927"	487.14508	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+Na+CF3COOH"	136.98208
"1577768"	503.11902	"C01761"	"Vomilenine"	"C21H22N2O3"	"350.163"	"M+K+CF3COOH"	152.95602
"804852"	284.0757	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M"	0
"984947"	265.05731	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-H2O-H"	-19.01839
"67723"	188.376524	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M-3H"	-3.021828
"506189"	283.068424	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M-3H"	-3.021828
"880344"	93.684624	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-3H"	-3.021828
"1473"	283.068424	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M-2H"	-2.014552
"443220"	425.106274	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M-2H"	-2.014552
"825399"	141.030574	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-2H"	-2.014552
"83203"	567.144124	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M-H"	-1.007276
"528963"	851.219824	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M-H"	-1.007276
"901662"	283.068424	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-H"	-1.007276
"54943"	584.170671	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M-2H+NH4"	16.019271
"492316"	868.246371	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M-2H+NH4"	16.019271
"866837"	300.094971	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-2H+NH4"	16.019271
"32551"	589.126066	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M-2H+Na"	20.974666
"484145"	873.201766	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M-2H+Na"	20.974666
"861585"	305.050366	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-2H+Na"	20.974666
"1630388"	305.050366	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Na-2H"	20.974666
"97440"	301.056763	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M-H+Cl"	33.962126
"541009"	443.094613	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M-H+Cl"	33.962126
"931245"	159.018913	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-H+Cl"	33.962126
"277455"	603.120802	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+Cl"	34.969402
"662224"	887.196502	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+Cl"	34.969402
"1275720"	319.045102	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Cl"	34.969402
"18278"	605.100006	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M-2H+K"	36.948606
"461119"	889.175706	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M-2H+K"	36.948606
"845480"	321.024306	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-2H+K"	36.948606
"1560221"	321.024306	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+K-2H"	36.948606
"950290"	329.073894	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-H+HCOOH"	44.998194
"370692"	613.149601	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+HCOOH-H"	44.998201
"348015"	627.165251	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+Hac-H"	59.013851
"1495754"	343.089551	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Hac-H"	59.013851
"964392"	351.055851	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-H+NaCOOH"	66.980151
"123508"	319.045102	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+2Cl"	69.938804
"562341"	461.082952	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+2Cl"	69.938804
"1035881"	177.007252	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2Cl"	69.938804
"1256676"	362.994585	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Br"	78.918885
"1319865"	365.050572	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Cl+HCOOH"	80.974872
"1328843"	387.032529	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Cl+NaCOOH"	102.956829
"926668"	397.061286	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M-H+CF3COOH"	112.985586
"1303296"	433.037964	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Cl+CF3COOH"	148.962264
"1381939"	249.063024	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H-2H2O"	-35.012676
"1396638"	267.073	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H-H2O"	-17.0027
"296328"	569.158676	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+H"	1.007276
"685468"	853.234376	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+H"	1.007276
"1360723"	285.082976	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H"	1.007276
"140540"	285.082976	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+2H"	2.014552
"579370"	427.120826	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+2H"	2.014552
"1052549"	143.045126	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2H"	2.014552
"217528"	190.391076	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+3H"	3.021828
"649434"	285.082976	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+3H"	3.021828
"1168653"	95.699176	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+3H"	3.021828
"433021"	586.185223	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+NH4"	18.033823
"797296"	870.260923	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+NH4"	18.033823
"1688160"	302.109523	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+NH4"	18.033823
"337533"	293.5962495	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+H+NH4"	19.041099
"731050"	435.6340995	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+H+NH4"	19.041099
"1485962"	151.5583995	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H+NH4"	19.041099
"400267"	591.140618	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+Na"	22.989218
"757982"	875.216318	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+Na"	22.989218
"1607174"	307.064918	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Na"	22.989218
"318306"	296.073947	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+H+Na"	23.996494
"712912"	438.111797	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+H+Na"	23.996494
"1470012"	154.036097	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H+Na"	23.996494
"1057793"	103.02649	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2H+Na"	25.00377
"1262753"	317.109186	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+CH3OH+H"	33.033486
"378170"	607.114558	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+K"	38.963158
"740140"	891.190258	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+K"	38.963158
"1540488"	323.038858	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+K"	38.963158
"309208"	304.060917	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+H+K"	39.970434
"696164"	446.098767	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+H+K"	39.970434
"1451077"	162.023067	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H+K"	39.970434
"240774"	610.185226	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+ACN+H"	42.033826
"1217856"	326.109526	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+ACN+H"	42.033826
"1207574"	163.558401	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+ACN+2H"	43.041102
"198258"	613.12256	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+2Na-H"	44.97116
"638547"	897.19826	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+2Na-H"	44.97116
"1135489"	329.04686	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2Na-H"	44.97116
"178790"	307.064918	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+2Na"	45.978436
"618350"	449.102768	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+2Na"	45.978436
"1131057"	165.027068	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2Na"	45.978436
"1413403"	110.353804	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H+2Na"	46.985712
"1444791"	331.088446	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H+HCOOH"	47.012746
"233029"	312.09794	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+3H2O+2H"	56.04448
"1519997"	345.14049	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+IsoProp+H"	61.06479
"418224"	315.051888	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+Na+K"	61.952376
"775941"	457.089738	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+Na+K"	61.952376
"1672272"	173.014038	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Na+K"	61.952376
"266082"	632.167168	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+ACN+Na"	64.015768
"1232594"	348.091468	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+ACN+Na"	64.015768
"1726947"	348.114993	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+NH4+HCOOH"	64.039293
"1191208"	117.681118	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+3Na"	68.967654
"1661101"	353.070388	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Na+HCOOH"	68.994688
"171244"	645.07044	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+2K-H"	76.91904
"604244"	929.14614	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+2K-H"	76.91904
"1094224"	360.99474	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2K-H"	76.91904
"149944"	323.038858	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"2M+2K"	77.926316
"589506"	465.076708	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"3M+2K"	77.926316
"1070373"	181.001008	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2K"	77.926316
"1100540"	363.009292	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2K+H"	78.933592
"1335609"	363.096907	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+DMSO+H"	79.021207
"1008867"	367.136076	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2ACN+H"	83.060376
"1529180"	368.129708	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+IsoProp+Na+H"	84.054008
"996726"	184.071676	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+2ACN+2H"	84.067652
"1593415"	369.044328	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+K+HCOOH"	84.968628
"1424543"	399.075838	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+H+CF3COOH"	115.000138
"1154830"	204.584951	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+3ACN+2H"	125.094202
"1700011"	416.102385	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+NH4+CF3COOH"	132.026685
"1640037"	421.05778	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+Na+CF3COOH"	136.98208
"1581158"	437.03172	"C01762"	"Xanthosine"	"C10H12N4O6"	"284.0757"	"M+K+CF3COOH"	152.95602
"811525"	154.1358	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M"	0
"976309"	135.11741	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"65280"	101.749924	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"503257"	153.128524	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"880815"	50.371324	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"326"	153.128524	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"446611"	230.196424	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"825509"	76.060624	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"90971"	307.264324	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"526156"	461.400124	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"905052"	153.128524	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"55783"	324.290871	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"487684"	478.426671	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"866218"	170.155071	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"42511"	329.246266	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"482069"	483.382066	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"859874"	175.110466	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1623937"	175.110466	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"100465"	171.116863	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"538203"	248.184763	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"932447"	94.048963	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"277565"	343.241002	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"663058"	497.376802	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1276920"	189.105202	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"18388"	345.220206	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"457582"	499.356006	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"842310"	191.084406	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1558144"	191.084406	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"947119"	199.133994	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"366428"	353.269801	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"348127"	367.285451	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1494039"	213.149651	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"960123"	221.115951	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"117784"	189.105202	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"560626"	266.173102	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1035624"	112.037302	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1256176"	233.054685	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1319801"	235.110672	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1335356"	257.092629	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"926455"	267.121386	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1303529"	303.098064	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1382375"	119.123124	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1396749"	137.1331	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"297531"	309.278876	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"686669"	463.414676	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1364113"	155.143076	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"141018"	155.143076	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"581025"	232.210976	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1044269"	78.075176	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"214357"	103.764476	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"659511"	155.143076	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1170950"	52.385876	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"430941"	326.305423	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"797406"	480.441223	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1694829"	172.169623	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"337641"	163.6563495	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"731157"	240.7242495	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1489353"	86.5884495	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"397461"	331.260818	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"760280"	485.396618	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1608376"	177.125018	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"324974"	166.134047	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"716303"	243.201947	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1473404"	89.066147	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1061183"	59.71319	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1270516"	187.169286	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"385808"	347.234758	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"747898"	501.370558	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1544489"	193.098958	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"306038"	174.121017	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"698456"	251.188917	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1454468"	97.053117	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"247444"	350.305426	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1222341"	196.169626	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1206223"	98.588451	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"200190"	353.24276	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"639751"	507.37856	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1145447"	199.10696	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"184369"	177.125018	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"626483"	254.192918	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1127436"	100.057118	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1412061"	67.040504	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1443081"	201.148546	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"233139"	182.15804	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1519741"	215.20059	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"413961"	185.111988	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"773863"	262.179888	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1667642"	108.044088	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"263278"	372.287368	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1231611"	218.151568	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1719403"	218.175093	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1189131"	74.367818	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1660117"	223.130488	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"168072"	385.19064	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"606177"	539.32644	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1093238"	231.05484	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"148961"	193.098958	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"585240"	270.166858	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1069756"	116.031058	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1106251"	233.069392	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1335865"	233.157007	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1006787"	237.196176	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1530390"	238.189808	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"999022"	119.101726	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1593525"	239.104428	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1419183"	269.135938	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1161143"	139.615001	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1707777"	286.162485	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1640151"	291.11788	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1577989"	307.09182	"C01765"	"()-Borneol;d-Borneol;Borneocamphor;endo-2-Bornanol;Sumatra camphor;(1R2S4R)-()-Borneol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"811635"	154.1358	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M"	0
"976419"	135.11741	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"64052"	101.749924	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"504584"	153.128524	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"880683"	50.371324	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"435"	153.128524	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"445628"	230.196424	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"825619"	76.060624	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"87801"	307.264324	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"526266"	461.400124	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"904069"	153.128524	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"58445"	324.290871	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"489011"	478.426671	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"866449"	170.155071	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"43715"	329.246266	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"481087"	483.382066	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"858891"	175.110466	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1627327"	175.110466	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"98387"	171.116863	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"537948"	248.184763	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"934744"	94.048963	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"277675"	343.241002	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"663537"	497.376802	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1279221"	189.105202	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"22872"	345.220206	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"460246"	499.356006	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"844607"	191.084406	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1568095"	191.084406	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"953790"	199.133994	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"367632"	353.269801	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"348237"	367.285451	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1493909"	213.149651	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"959871"	221.115951	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"115708"	189.105202	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"562195"	266.173102	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1035369"	112.037302	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1256167"	233.054685	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1318133"	235.110672	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1334052"	257.092629	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"924868"	267.121386	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1302304"	303.098064	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1381919"	119.123124	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1396859"	137.1331	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"295455"	309.278876	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"690671"	463.414676	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1363128"	155.143076	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"141004"	155.143076	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"579595"	232.210976	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1052038"	78.075176	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"216655"	103.764476	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"658772"	155.143076	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1175435"	52.385876	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"430323"	326.305423	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"798246"	480.441223	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1688379"	172.169623	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"336293"	163.6563495	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"732360"	240.7242495	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1486181"	86.5884495	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"397568"	331.260818	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"760389"	485.396618	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1608851"	177.125018	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"321804"	166.134047	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"715321"	243.201947	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1472421"	89.066147	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1066762"	59.71319	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1264066"	187.169286	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"383734"	347.234758	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"745821"	501.370558	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1547879"	193.098958	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"309428"	174.121017	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"699661"	251.188917	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1454576"	97.053117	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"244274"	350.305426	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1222817"	196.169626	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1208889"	98.588451	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"201029"	353.24276	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"639862"	507.37856	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1145557"	199.10696	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"187885"	177.125018	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"627814"	254.192918	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1125359"	100.057118	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1413751"	67.040504	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1443922"	201.148546	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"232888"	182.15804	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1520946"	215.20059	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"416259"	185.111988	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"775067"	262.179888	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1670305"	108.044088	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"263022"	372.287368	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1232814"	218.151568	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1721700"	218.175093	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1187054"	74.367818	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1656949"	223.130488	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"167093"	385.19064	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"604465"	539.32644	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1090068"	231.05484	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"145792"	193.098958	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"583165"	270.166858	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1069870"	116.031058	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1104174"	233.069392	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1335732"	233.157007	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1006045"	237.196176	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1529405"	238.189808	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"994758"	119.101726	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1588287"	239.104428	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1414672"	269.135938	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1150678"	139.615001	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1707887"	286.162485	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1640261"	291.11788	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1578099"	307.09182	"C01766"	"(-)-Borneol;l-Borneol;(1S2R4S)-(-)-Borneol;Linderol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"811745"	150.1045	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M"	0
"978716"	131.08611	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"68051"	99.0623906666667	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"506153"	149.097224	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"882861"	49.0275573333333	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"1558"	149.097224	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"444643"	224.149474	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"820260"	74.044974	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"89004"	299.201724	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"529656"	449.306224	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"906366"	149.097224	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"56367"	316.228271	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"488634"	466.332771	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"866559"	166.123771	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"43826"	321.183666	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"481197"	471.288166	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"859001"	171.079166	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1628532"	171.079166	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"105058"	167.085563	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"538422"	242.137813	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"938134"	92.033313	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"277786"	335.178402	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"664011"	485.282902	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1279331"	185.073902	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"20795"	337.157606	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"469834"	487.262106	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"844719"	187.053106	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1568936"	187.053106	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"956455"	195.102694	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"375033"	345.207201	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"351627"	359.222851	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1497180"	209.118351	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"968002"	217.084651	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"124203"	185.073902	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"564128"	260.126152	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1035968"	110.021652	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1256684"	229.023385	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1319296"	231.079372	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1333917"	253.061329	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"925952"	263.090086	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1302048"	299.066764	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1381908"	115.091824	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1397586"	133.1018	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"298405"	301.216276	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"689448"	451.320776	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1366399"	151.111776	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"138323"	151.111776	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"580434"	226.164026	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1051420"	76.059526	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"218227"	101.076942666667	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"659373"	151.111776	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1176277"	51.0421093333333	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"437727"	318.242823	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"799089"	468.347323	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1692864"	168.138323	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"341871"	159.6250495	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"735388"	234.6772995	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1489208"	84.5727995	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"399137"	323.198218	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"764872"	473.302718	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1610785"	173.093718	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"324103"	162.102747	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"717618"	237.154997	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1476709"	87.050497	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1066874"	58.3694233333333	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1270738"	183.137986	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"390405"	339.172158	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"749213"	489.276658	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1551267"	189.067658	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"308442"	170.089717	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"701959"	245.141967	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1456872"	95.037467	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"244383"	342.242826	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1222560"	192.138326	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1207538"	96.572801	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"204062"	345.18016	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"641797"	495.28466	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1144571"	195.07566	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"185675"	173.093718	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"624137"	248.145968	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1126562"	98.041468	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1414029"	65.6967373333333	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1445289"	197.117246	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"235227"	178.12674	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1523694"	211.16929	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"416369"	181.080688	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"777364"	256.132938	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1675883"	106.028438	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"263497"	364.224768	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1236207"	214.120268	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1723998"	214.143793	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1188259"	73.0240513333333	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1655967"	219.099188	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"162828"	377.12804	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"606762"	527.23254	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1090181"	227.02354	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"148090"	189.067658	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"585464"	264.119908	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1071069"	114.015408	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1105377"	229.038092	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1338113"	229.125707	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1008469"	233.164876	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1530608"	234.158508	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"997056"	117.086076	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1595931"	235.073128	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1421591"	265.104638	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1150788"	137.599351	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1700702"	282.131185	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1640371"	287.08658	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1578209"	303.06052	"C01767"	"(-)-Carvone;(4R)-Carvone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"808574"	88.0524	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M"	0
"975545"	69.03401	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"65975"	57.694324	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"505537"	87.045124	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"887713"	28.343524	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"3006"	87.045124	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"444755"	131.071324	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"822563"	43.018924	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"86927"	175.097524	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"528673"	263.149924	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"905383"	87.045124	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"55385"	192.124071	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"496040"	280.176471	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"873849"	104.071671	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"39562"	197.079466	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"480216"	285.131866	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"859109"	109.027066	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1627547"	109.027066	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"96057"	105.033463	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"539263"	149.059663	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"934964"	61.007263	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"269149"	211.074202	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"663757"	299.126602	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1277253"	123.021802	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"23090"	213.053406	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"462649"	301.105806	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"839359"	125.001006	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1565035"	125.001006	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"947451"	133.050594	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"368947"	221.103001	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"348457"	235.118651	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1496197"	147.066251	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"962648"	155.032551	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"117023"	123.021802	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"563144"	167.048002	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1035833"	78.995602	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1256632"	166.971285	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1319316"	169.027272	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1335158"	191.009229	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"926542"	201.037986	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1302886"	237.014664	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1381653"	53.039724	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1395989"	71.0497	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"296768"	177.112076	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"689924"	265.164476	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1366145"	89.059676	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"140492"	89.059676	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"576896"	133.085876	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1050920"	45.033476	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"216875"	59.708876	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"655344"	89.059676	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1172375"	30.358076	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"433462"	194.138623	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"798831"	282.191023	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1688965"	106.086223	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"339067"	97.5729495	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"731850"	141.5991495	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1480931"	53.5467495	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"397423"	199.094018	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"758419"	287.146418	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1607976"	111.041618	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"318742"	100.050647	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"716633"	144.076847	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1471549"	56.024447	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1062607"	37.68539	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1265380"	121.085886	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"387235"	215.067958	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"747138"	303.120358	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1542629"	127.015558	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"305274"	108.037617	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"702069"	152.063817	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1454794"	64.011417	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"246682"	218.138626	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1221213"	130.086226	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1208014"	65.546751	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"203971"	221.07596	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"642636"	309.12836	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1143587"	133.02356	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"177403"	111.041618	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"626450"	155.067818	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1130687"	67.015418	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1414093"	45.012704	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1444138"	135.065146	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"235374"	116.07464	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1520070"	149.11719	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"419757"	119.028588	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"776743"	163.054788	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1671617"	75.002388	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"263606"	240.120568	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1234132"	152.068168	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1721922"	152.091693	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1189460"	52.340018	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1661538"	157.047088	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"168401"	253.02384	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"606867"	341.07624	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1089559"	164.97144	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"144918"	127.015558	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"583022"	171.041758	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1069359"	82.989358	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1103302"	166.985992	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1336526"	167.073607	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1011500"	171.112776	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1527438"	172.106408	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"992061"	86.060026	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1590575"	173.021028	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1419520"	203.052538	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1148348"	106.573301	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1702643"	220.079085	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1637200"	225.03448	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1581600"	241.00842	"C01769"	"(S)-Acetoin;(S)-2-Acetoin"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"808685"	86.0368	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M"	0
"978937"	67.01841	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"67180"	56.3505906666667	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"505647"	85.029524	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"887823"	27.6716573333333	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"8583"	85.029524	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"442675"	128.047924	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"822673"	42.011124	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"83758"	171.066324	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"522224"	257.103124	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"904399"	85.029524	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"55495"	188.092871	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"490682"	274.129671	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"872866"	102.056071	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"37485"	193.048266	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"476316"	279.085066	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"855939"	107.011466	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1624377"	107.011466	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"97626"	103.017863	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"535726"	146.036263	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"931793"	59.999463	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"270352"	207.043002	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"669335"	293.079802	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1279550"	121.006202	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"23201"	209.022206	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"463855"	295.059006	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"843844"	122.985406	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1565145"	122.985406	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"953028"	131.034994	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"370152"	217.071801	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"354038"	231.087451	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1501776"	145.050651	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"968226"	153.016951	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"123694"	121.006202	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"564349"	164.024602	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1030963"	77.987802	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1255649"	164.955685	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1318825"	167.011672	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1333407"	188.993629	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"925923"	199.022386	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1302270"	234.999064	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1380430"	51.024124	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1396832"	69.0341	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"297490"	173.080876	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"689545"	259.117676	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1366622"	87.044076	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"139998"	87.044076	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"578829"	130.062476	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1051884"	44.025676	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"216988"	58.3651426666667	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"656548"	87.044076	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1171392"	29.6862093333333	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"436489"	190.107423	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"798578"	276.144223	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1693086"	104.070623	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"341366"	95.5573495	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"733420"	138.5757495	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1481040"	52.5389495	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"398263"	195.062818	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"759625"	281.099618	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1608086"	109.026018	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"318124"	98.035047	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"715651"	141.053447	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1468380"	55.016647	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1060531"	37.0135233333333	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1264398"	119.070286	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"381877"	211.036758	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"747248"	297.073558	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1547114"	124.999958	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"306478"	106.022017	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"703273"	149.040417	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1454904"	63.003617	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"245698"	214.107426	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1222782"	128.070626	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1208124"	64.538951	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"200997"	217.04476	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"642015"	303.08156	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1144552"	131.00796	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"184073"	109.026018	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"626560"	152.044418	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1129583"	66.007618	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1413881"	44.3408373333333	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1444493"	133.049546	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"233589"	114.05904	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1520182"	147.10159	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"421327"	117.012988	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"777584"	160.031388	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1678659"	73.994588	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"264448"	236.089368	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1234609"	150.052568	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1722764"	150.076093	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1188480"	51.6681513333333	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1659102"	155.031488	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"167058"	248.99264	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"601878"	335.02944	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1089307"	162.95584	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"146123"	124.999958	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"582767"	168.018358	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1072389"	81.981558	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1103411"	164.970392	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1338702"	165.058007	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1012702"	169.097176	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1525359"	170.090808	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"993994"	85.052226	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1590683"	171.005428	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1416350"	201.036938	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1148823"	105.565501	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1702754"	218.063485	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1643872"	223.01888	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1581710"	238.99282	"C01770"	"gamma-Butyrolactone;14-Lactone"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"808795"	86.0368	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M"	0
"977953"	67.01841	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"68384"	56.3505906666667	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"505757"	85.029524	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"885746"	27.6716573333333	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"8693"	85.029524	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"443880"	128.047924	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"822783"	42.011124	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"82774"	171.066324	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"522698"	257.103124	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"901229"	85.029524	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"53418"	188.092871	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"488968"	274.129671	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"872976"	102.056071	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"37596"	193.048266	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"475697"	279.085066	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"857142"	107.011466	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1622299"	107.011466	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"98097"	103.017863	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"538387"	146.036263	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"930808"	59.999463	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"269004"	207.043002	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"661305"	293.079802	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1279661"	121.006202	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"23311"	209.022206	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"462871"	295.059006	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"843954"	122.985406	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1561975"	122.985406	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"953138"	131.034994	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"370262"	217.071801	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"349045"	231.087451	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1501886"	145.050651	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"965056"	153.016951	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"118337"	121.006202	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"563365"	164.024602	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1032166"	77.987802	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1255395"	164.955685	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1318937"	167.011672	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1335340"	188.993629	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"926884"	199.022386	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1303836"	234.999064	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1381633"	51.024124	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1398036"	69.0341	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"297966"	173.080876	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"690503"	259.117676	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1366732"	87.044076	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"140107"	87.044076	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"580277"	130.062476	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1050897"	44.025676	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"219167"	58.3651426666667	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"655565"	87.044076	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1173689"	29.6862093333333	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"438907"	190.107423	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"799053"	276.144223	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1694288"	104.070623	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"343663"	95.5573495	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"734988"	138.5757495	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1481152"	52.5389495	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"396553"	195.062818	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"759734"	281.099618	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1607832"	109.026018	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"318964"	98.035047	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"715760"	141.053447	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1470675"	55.016647	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1060641"	37.0135233333333	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1265601"	119.070286	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"383081"	211.036758	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"747358"	297.073558	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1549410"	124.999958	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"307681"	106.022017	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"701196"	149.040417	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1452828"	63.003617	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"245444"	214.107426	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1221433"	128.070626	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1207141"	64.538951	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"200743"	217.04476	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"642125"	303.08156	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1142714"	131.00796	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"185400"	109.026018	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"626186"	152.044418	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1127260"	66.007618	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1413095"	44.3408373333333	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1442169"	133.049546	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"235615"	114.05904	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1518105"	147.10159	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"423749"	117.012988	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"776964"	160.031388	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1674024"	73.994588	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"265529"	236.089368	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1237630"	150.052568	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1723966"	150.076093	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1185311"	51.6681513333333	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1659212"	155.031488	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"166437"	248.99264	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"600895"	335.02944	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1088688"	162.95584	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"144047"	124.999958	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"582268"	168.018358	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1072499"	81.981558	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1103522"	164.970392	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1339905"	165.058007	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1012813"	169.097176	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1526562"	170.090808	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"993011"	85.052226	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1589700"	171.005428	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1416460"	201.036938	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1149297"	105.565501	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1706144"	218.063485	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1643982"	223.01888	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1581820"	238.99282	"C01771"	"2-Butenoate;2-Butenoic acid;Crotonic acid;3-Methylacrylic acid"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"808905"	164.0473	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M"	0
"978063"	145.02891	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"64240"	108.357590666667	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"504773"	163.040024	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"885856"	53.6751573333333	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"5523"	163.040024	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"443990"	245.063674	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"822893"	81.016374	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"82155"	327.087324	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"519892"	491.134624	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"899880"	163.040024	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"53892"	344.113871	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"488714"	508.161171	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"873083"	180.066571	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"39528"	349.069266	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"476172"	513.116566	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"857252"	185.021966	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1622045"	185.021966	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"98207"	181.028363	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"538862"	263.052013	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"929094"	99.004713	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"270572"	363.064002	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"660685"	527.111302	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1279771"	199.016702	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"24514"	365.043206	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"462980"	529.090506	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"841877"	200.995906	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1562085"	200.995906	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"951061"	209.045494	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"370372"	373.092801	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"348790"	387.108451	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1497622"	223.061151	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"966259"	231.027451	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"115167"	199.016702	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"561288"	281.040352	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1032276"	116.993052	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1256230"	242.966185	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1319409"	245.022172	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1334717"	267.004129	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"923950"	277.032886	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1304140"	313.009564	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1382229"	129.034624	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1398144"	147.0446	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"298153"	329.101876	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"690938"	493.149176	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1366926"	165.054576	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"138031"	165.054576	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"580142"	247.078226	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1050399"	83.030926	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"219152"	110.372142666667	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"656768"	165.054576	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1171977"	55.6897093333333	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"435977"	346.128423	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"798067"	510.175723	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1691118"	182.081123	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"341584"	173.5678495	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"732912"	255.5914995	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1481262"	91.5441995	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"397757"	351.083818	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"758751"	515.131118	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1607942"	187.036518	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"320166"	176.045547	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"714777"	258.069197	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1469692"	94.021897	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1059658"	63.0170233333333	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1266804"	197.080786	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"383191"	367.057758	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"750748"	531.105058	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1550613"	203.010458	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"307790"	184.032517	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"701307"	266.056167	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1452938"	102.008867	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"244825"	370.128426	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1221543"	206.081126	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1209078"	103.544201	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"201945"	373.06576	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"642235"	537.11306	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1143916"	209.01846	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"185752"	187.036518	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"626417"	269.060168	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1127734"	105.012868	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1413447"	70.3443373333333	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1442279"	211.060046	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"235139"	192.06954	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1518215"	225.11209	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"423943"	195.023488	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"777804"	277.047138	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1673041"	112.999838	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"263937"	392.110368	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1238106"	228.063068	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1724805"	228.086593	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1187607"	77.6716513333333	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1659686"	233.041988	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"167639"	405.01364	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"601368"	569.06094	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1091711"	240.96634	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"144157"	203.010458	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"582016"	285.034108	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1072609"	120.986808	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1101567"	242.980892	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1337950"	243.068507	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1012923"	247.107676	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1526672"	248.101308	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"993121"	124.057476	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1591997"	249.015928	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1416570"	279.047438	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1149043"	144.570751	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1706254"	296.073985	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1644092"	301.02938	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1581930"	317.00332	"C01772"	"trans-2-Hydroxycinnamate;trans-2-Hydroxycinnamic acid;2-Hydroxycinnamate;2-Coumaric acid;o-Coumaric acid;2-Coumarate"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"812297"	1078.5798	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M"	0
"984738"	1059.56141	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-H2O-H"	-19.01839
"68606"	718.045924	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M-3H"	-3.021828
"511449"	1077.572524	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M-3H"	-3.021828
"883783"	358.519324	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-3H"	-3.021828
"4543"	1077.572524	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M-2H"	-2.014552
"448482"	1616.862424	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M-2H"	-2.014552
"820817"	538.282624	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-2H"	-2.014552
"82630"	2156.152324	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M-H"	-1.007276
"519875"	3234.732124	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M-H"	-1.007276
"899629"	1077.572524	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-H"	-1.007276
"48655"	2173.178871	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M-2H+NH4"	16.019271
"492112"	3251.758671	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M-2H+NH4"	16.019271
"871008"	1094.599071	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-2H+NH4"	16.019271
"37816"	2178.134266	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M-2H+Na"	20.974666
"476277"	3256.714066	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M-2H+Na"	20.974666
"856269"	1099.554466	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-2H+Na"	20.974666
"1622519"	1099.554466	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Na-2H"	20.974666
"98683"	1095.560863	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M-H+Cl"	33.962126
"536053"	1634.850763	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M-H+Cl"	33.962126
"929933"	556.270963	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-H+Cl"	33.962126
"270314"	2192.129002	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+Cl"	34.969402
"661767"	3270.708802	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+Cl"	34.969402
"1276602"	1113.549202	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Cl"	34.969402
"20252"	2194.108206	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M-2H+K"	36.948606
"460904"	3272.688006	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M-2H+K"	36.948606
"839798"	1115.528406	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-2H+K"	36.948606
"1558914"	1115.528406	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+K-2H"	36.948606
"950079"	1123.577994	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-H+HCOOH"	44.998194
"367197"	2202.157801	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+HCOOH-H"	44.998201
"346466"	2216.173451	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+Hac-H"	59.013851
"1494449"	1137.593651	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Hac-H"	59.013851
"964182"	1145.559951	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-H+NaCOOH"	66.980151
"115277"	1113.549202	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+2Cl"	69.938804
"555931"	1652.839102	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+2Cl"	69.938804
"1031292"	574.259302	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2Cl"	69.938804
"1248684"	1157.498685	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Br"	78.918885
"1319152"	1159.554672	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Cl+HCOOH"	80.974872
"1328629"	1181.536629	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Cl+NaCOOH"	102.956829
"925523"	1191.565386	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M-H+CF3COOH"	112.985586
"1302959"	1227.542064	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Cl+CF3COOH"	148.962264
"1378929"	1043.567124	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H-2H2O"	-35.012676
"1397156"	1061.5771	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H-H2O"	-17.0027
"296846"	2158.166876	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+H"	1.007276
"688903"	3236.746676	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+H"	1.007276
"1361604"	1079.587076	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H"	1.007276
"137775"	1079.587076	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+2H"	2.014552
"571138"	1618.876976	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+2H"	2.014552
"1042125"	540.297176	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2H"	2.014552
"207109"	720.060476	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+3H"	3.021828
"650679"	1079.587076	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+3H"	3.021828
"1171358"	360.533876	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+3H"	3.021828
"430256"	2175.193423	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+NH4"	18.033823
"787605"	3253.773223	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+NH4"	18.033823
"1683573"	1096.613623	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+NH4"	18.033823
"331852"	1088.1003495	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+H+NH4"	19.041099
"724148"	1627.3902495	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+H+NH4"	19.041099
"1479548"	548.8104495	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H+NH4"	19.041099
"393858"	2180.148818	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+Na"	22.989218
"756304"	3258.728618	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+Na"	22.989218
"1606960"	1101.569018	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Na"	22.989218
"316629"	1090.578047	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+H+Na"	23.996494
"711238"	1629.867947	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+H+Na"	23.996494
"1465428"	551.288147	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H+Na"	23.996494
"1060861"	367.86119	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2H+Na"	25.00377
"1258652"	1111.613286	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+CH3OH+H"	33.033486
"383302"	2196.122758	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+K"	38.963158
"748673"	3274.702558	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+K"	38.963158
"1550726"	1117.542958	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+K"	38.963158
"303527"	1098.565017	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+H+K"	39.970434
"698134"	1637.854917	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+H+K"	39.970434
"1454146"	559.275117	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H+K"	39.970434
"242748"	2199.193426	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+ACN+H"	42.033826
"1219830"	1120.613626	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+ACN+H"	42.033826
"1208701"	560.810451	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+ACN+2H"	43.041102
"202055"	2202.13076	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+2Na-H"	44.97116
"640157"	3280.71056	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+2Na-H"	44.97116
"1137466"	1123.55096	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2Na-H"	44.97116
"181860"	1101.569018	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+2Na"	45.978436
"624702"	1640.858918	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+2Na"	45.978436
"1128208"	562.279118	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2Na"	45.978436
"1412461"	375.188504	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H+2Na"	46.985712
"1440567"	1125.592546	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H+HCOOH"	47.012746
"226981"	1106.60204	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+3H2O+2H"	56.04448
"1516138"	1139.64459	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+IsoProp+H"	61.06479
"416921"	1109.555988	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+Na+K"	61.952376
"774635"	1648.845888	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+Na+K"	61.952376
"1671329"	570.266088	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Na+K"	61.952376
"260766"	2221.175368	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+ACN+Na"	64.015768
"1236755"	1142.595568	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+ACN+Na"	64.015768
"1722362"	1142.619093	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+NH4+HCOOH"	64.039293
"1187715"	382.515818	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+3Na"	68.967654
"1658702"	1147.574488	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Na+HCOOH"	68.994688
"162285"	2234.07864	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+2K-H"	76.91904
"600384"	3312.65844	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+2K-H"	76.91904
"1085020"	1155.49884	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2K-H"	76.91904
"144273"	1117.542958	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"2M+2K"	77.926316
"587114"	1656.832858	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"3M+2K"	77.926316
"1069560"	578.253058	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2K"	77.926316
"1108119"	1157.513392	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2K+H"	78.933592
"1337211"	1157.601007	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+DMSO+H"	79.021207
"1008659"	1161.640176	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2ACN+H"	83.060376
"1526417"	1162.633808	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+IsoProp+Na+H"	84.054008
"993231"	581.323726	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+2ACN+2H"	84.067652
"1596490"	1163.548428	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+K+HCOOH"	84.968628
"1424336"	1193.579938	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+H+CF3COOH"	115.000138
"1160824"	601.837001	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+3ACN+2H"	125.094202
"1708552"	1210.606485	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+NH4+CF3COOH"	132.026685
"1640921"	1215.56188	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+Na+CF3COOH"	136.98208
"1578761"	1231.53582	"C01776"	"Aculeacin A"	"C51H82N8O17"	"1078.5798"	"M+K+CF3COOH"	152.95602
"816868"	265.0885	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M"	0
"985941"	246.07011	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-H2O-H"	-19.01839
"75279"	175.718390666667	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M-3H"	-3.021828
"513748"	264.081224	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M-3H"	-3.021828
"886081"	87.3555573333333	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-3H"	-3.021828
"14501"	264.081224	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M-2H"	-2.014552
"451874"	396.625474	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M-2H"	-2.014552
"831863"	131.536974	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-2H"	-2.014552
"88574"	529.169724	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M-H"	-1.007276
"528138"	794.258224	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M-H"	-1.007276
"900470"	264.081224	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-H"	-1.007276
"57036"	546.196271	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M-2H+NH4"	16.019271
"493315"	811.284771	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M-2H+NH4"	16.019271
"872211"	281.107771	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-2H+NH4"	16.019271
"39018"	551.151666	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M-2H+Na"	20.974666
"479671"	816.240166	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M-2H+Na"	20.974666
"854192"	286.063166	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-2H+Na"	20.974666
"1624817"	286.063166	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Na-2H"	20.974666
"96973"	282.069563	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M-H+Cl"	33.962126
"536531"	414.613813	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M-H+Cl"	33.962126
"930044"	149.525313	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-H+Cl"	33.962126
"270062"	565.146402	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+Cl"	34.969402
"664307"	830.234902	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+Cl"	34.969402
"1283269"	300.057902	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Cl"	34.969402
"23639"	567.125606	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M-2H+K"	36.948606
"462106"	832.214106	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M-2H+K"	36.948606
"836992"	302.037106	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-2H+K"	36.948606
"1564493"	302.037106	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+K-2H"	36.948606
"944723"	310.086694	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-H+HCOOH"	44.998194
"362693"	575.175201	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+HCOOH-H"	44.998201
"348645"	589.190851	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+Hac-H"	59.013851
"1493828"	324.102351	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Hac-H"	59.013851
"963197"	332.068651	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-H+NaCOOH"	66.980151
"114292"	300.057902	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+2Cl"	69.938804
"554219"	432.602152	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+2Cl"	69.938804
"1028120"	167.513652	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2Cl"	69.938804
"1256447"	344.007385	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Br"	78.918885
"1316709"	346.063372	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Cl+HCOOH"	80.974872
"1334204"	368.045329	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Cl+NaCOOH"	102.956829
"925266"	378.074086	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M-H+CF3COOH"	112.985586
"1291765"	414.050764	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Cl+CF3COOH"	148.962264
"1373573"	230.075824	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H-2H2O"	-35.012676
"1395443"	248.0858	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H-H2O"	-17.0027
"294035"	531.184276	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+H"	1.007276
"687550"	796.272776	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+H"	1.007276
"1362809"	266.095776	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H"	1.007276
"129136"	266.095776	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+2H"	2.014552
"571978"	398.640026	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+2H"	2.014552
"1042236"	133.551526	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2H"	2.014552
"206855"	177.732942666667	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+3H"	3.021828
"650789"	266.095776	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+3H"	3.021828
"1169282"	89.3701093333333	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+3H"	3.021828
"430365"	548.210823	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+NH4"	18.033823
"790995"	813.299323	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+NH4"	18.033823
"1685142"	283.122323	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+NH4"	18.033823
"333055"	274.6090495	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+H+NH4"	19.041099
"725839"	407.1532995	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+H+NH4"	19.041099
"1480389"	142.0647995	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H+NH4"	19.041099
"394209"	553.166218	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+Na"	22.989218
"757147"	818.254718	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+Na"	22.989218
"1605487"	288.077718	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Na"	22.989218
"316013"	277.086747	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+H+Na"	23.996494
"711714"	409.630997	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+H+Na"	23.996494
"1466630"	144.542497	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H+Na"	23.996494
"1056597"	96.6974233333333	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2H+Na"	25.00377
"1259370"	298.121986	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+CH3OH+H"	33.033486
"382319"	569.140158	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+K"	38.963158
"746596"	834.228658	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+K"	38.963158
"1553752"	304.051658	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+K"	38.963158
"306917"	285.073717	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+H+K"	39.970434
"701526"	417.617967	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+H+K"	39.970434
"1457900"	152.529467	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H+K"	39.970434
"247230"	572.210826	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+ACN+H"	42.033826
"1221766"	307.122326	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+ACN+H"	42.033826
"1207472"	154.064801	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+ACN+2H"	43.041102
"201801"	575.14816	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+2Na-H"	44.97116
"640634"	840.23666	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+2Na-H"	44.97116
"1146334"	310.05966	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2Na-H"	44.97116
"187320"	288.077718	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+2Na"	45.978436
"622626"	420.621968	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+2Na"	45.978436
"1122852"	155.533468	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2Na"	45.978436
"1403821"	104.024737333333	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H+2Na"	46.985712
"1435214"	312.101246	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H+HCOOH"	47.012746
"223086"	293.11074	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+3H2O+2H"	56.04448
"1519536"	326.15329	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+IsoProp+H"	61.06479
"419219"	296.064688	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+Na+K"	61.952376
"775840"	428.608938	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+Na+K"	61.952376
"1669618"	163.520438	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Na+K"	61.952376
"259782"	594.192768	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+ACN+Na"	64.015768
"1235772"	329.104268	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+ACN+Na"	64.015768
"1720284"	329.127793	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+NH4+HCOOH"	64.039293
"1188917"	111.352051333333	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+3Na"	68.967654
"1657724"	334.083188	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Na+HCOOH"	68.994688
"159480"	607.09604	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+2K-H"	76.91904
"601222"	872.18454	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+2K-H"	76.91904
"1085492"	342.00754	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2K-H"	76.91904
"146575"	304.051658	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"2M+2K"	77.926316
"588321"	436.595908	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"3M+2K"	77.926316
"1077205"	171.507408	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2K"	77.926316
"1102760"	344.022092	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2K+H"	78.933592
"1340240"	344.109707	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+DMSO+H"	79.021207
"1009861"	348.148876	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2ACN+H"	83.060376
"1529082"	349.142508	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+IsoProp+Na+H"	84.054008
"1002098"	174.578076	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+2ACN+2H"	84.067652
"1596600"	350.057128	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+K+HCOOH"	84.968628
"1426637"	380.088638	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+H+CF3COOH"	115.000138
"1161300"	195.091351	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+3ACN+2H"	125.094202
"1712188"	397.115185	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+NH4+CF3COOH"	132.026685
"1649421"	402.07058	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+Na+CF3COOH"	136.98208
"1582152"	418.04452	"C01779"	"Albendazole"	"C12H15N3O2S"	"265.0885"	"M+K+CF3COOH"	152.95602
"801400"	360.1937	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M"	0
"980582"	341.17531	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-H2O-H"	-19.01839
"68824"	239.121857333333	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M-3H"	-3.021828
"511670"	359.186424	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M-3H"	-3.021828
"887284"	119.057290666667	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-3H"	-3.021828
"8051"	359.186424	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M-2H"	-2.014552
"448704"	539.283274	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M-2H"	-2.014552
"825413"	179.089574	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-2H"	-2.014552
"85404"	719.380124	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M-H"	-1.007276
"524968"	1079.573824	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M-H"	-1.007276
"898758"	359.186424	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-H"	-1.007276
"57146"	736.406671	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M-2H+NH4"	16.019271
"493425"	1096.600371	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M-2H+NH4"	16.019271
"872321"	376.212971	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-2H+NH4"	16.019271
"38035"	741.362066	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M-2H+Na"	20.974666
"478688"	1101.555766	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M-2H+Na"	20.974666
"854302"	381.168366	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-2H+Na"	20.974666
"1623833"	381.168366	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Na-2H"	20.974666
"97082"	377.174763	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M-H+Cl"	33.962126
"535426"	557.271613	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M-H+Cl"	33.962126
"930154"	197.077913	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-H+Cl"	33.962126
"269808"	755.356802	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+Cl"	34.969402
"662595"	1115.550502	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+Cl"	34.969402
"1282287"	395.163102	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Cl"	34.969402
"21562"	757.336006	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M-2H+K"	36.948606
"457113"	1117.529706	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M-2H+K"	36.948606
"834672"	397.142306	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-2H+K"	36.948606
"1560230"	397.142306	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+K-2H"	36.948606
"943737"	405.191894	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-H+HCOOH"	44.998194
"363049"	765.385601	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+HCOOH-H"	44.998201
"348391"	779.401251	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+Hac-H"	59.013851
"1493941"	419.207551	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Hac-H"	59.013851
"960027"	427.173851	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-H+NaCOOH"	66.980151
"111850"	395.163102	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+2Cl"	69.938804
"550679"	575.259952	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+2Cl"	69.938804
"1028230"	215.066252	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2Cl"	69.938804
"1253277"	439.112585	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Br"	78.918885
"1317912"	441.168572	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Cl+HCOOH"	80.974872
"1333950"	463.150529	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Cl+NaCOOH"	102.956829
"916628"	473.179286	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M-H+CF3COOH"	112.985586
"1291146"	509.155964	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Cl+CF3COOH"	148.962264
"1370401"	325.181024	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H-2H2O"	-35.012676
"1390085"	343.191	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H-H2O"	-17.0027
"290865"	721.394676	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+H"	1.007276
"684380"	1081.588376	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+H"	1.007276
"1357452"	361.200976	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H"	1.007276
"126695"	361.200976	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+2H"	2.014552
"569901"	541.297826	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+2H"	2.014552
"1039794"	181.104126	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2H"	2.014552
"207694"	241.136409333333	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+3H"	3.021828
"649442"	361.200976	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+3H"	3.021828
"1166112"	121.071842666667	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+3H"	3.021828
"430112"	738.421223	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+NH4"	18.033823
"790012"	1098.614923	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+NH4"	18.033823
"1685982"	378.227523	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+NH4"	18.033823
"334258"	369.7142495	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+H+NH4"	19.041099
"725585"	549.8110995	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+H+NH4"	19.041099
"1478676"	189.6173995	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H+NH4"	19.041099
"393022"	743.376618	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+Na"	22.989218
"755801"	1103.570318	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+Na"	22.989218
"1604259"	383.182918	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Na"	22.989218
"314826"	372.191947	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+H+Na"	23.996494
"711824"	552.288797	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+H+Na"	23.996494
"1467835"	192.095097	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H+Na"	23.996494
"1061081"	128.399156666667	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2H+Na"	25.00377
"1264947"	393.227186	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+CH3OH+H"	33.033486
"384615"	759.350558	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+K"	38.963158
"747797"	1119.544258	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+K"	38.963158
"1552404"	399.156858	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+K"	38.963158
"309213"	380.178917	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+H+K"	39.970434
"700542"	560.275767	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+H+K"	39.970434
"1457282"	200.082067	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H+K"	39.970434
"244058"	762.421226	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+ACN+H"	42.033826
"1221874"	402.227526	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+ACN+H"	42.033826
"1206851"	201.617401	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+ACN+2H"	43.041102
"198993"	765.35856	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+2Na-H"	44.97116
"637460"	1125.55226	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+2Na-H"	44.97116
"1143164"	405.16486	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2Na-H"	44.97116
"186823"	383.182918	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+2Na"	45.978436
"619456"	563.279768	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+2Na"	45.978436
"1122962"	203.086068	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2Na"	45.978436
"1402837"	135.726470666667	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H+2Na"	46.985712
"1435324"	407.206446	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H+HCOOH"	47.012746
"225015"	388.21594	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+3H2O+2H"	56.04448
"1519646"	421.25849	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+IsoProp+H"	61.06479
"418236"	391.169888	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+Na+K"	61.952376
"775950"	571.266738	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+Na+K"	61.952376
"1671186"	211.073038	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Na+K"	61.952376
"259893"	784.403168	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+ACN+Na"	64.015768
"1234789"	424.209468	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+ACN+Na"	64.015768
"1719301"	424.232993	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+NH4+HCOOH"	64.039293
"1187935"	143.053784666667	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+3Na"	68.967654
"1655647"	429.188388	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Na+HCOOH"	68.994688
"158129"	797.30644	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+2K-H"	76.91904
"598902"	1157.50014	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+2K-H"	76.91904
"1085725"	437.11274	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2K-H"	76.91904
"147778"	399.156858	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"2M+2K"	77.926316
"590617"	579.253708	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"3M+2K"	77.926316
"1077315"	219.060008	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2K"	77.926316
"1103963"	439.127292	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2K+H"	78.933592
"1340350"	439.214907	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+DMSO+H"	79.021207
"1013252"	443.254076	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2ACN+H"	83.060376
"1529192"	444.247708	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+IsoProp+Na+H"	84.054008
"998925"	222.130676	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+2ACN+2H"	84.067652
"1595617"	445.162328	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+K+HCOOH"	84.968628
"1427840"	475.193838	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+H+CF3COOH"	115.000138
"1161410"	242.643951	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+3ACN+2H"	125.094202
"1712638"	492.220385	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+NH4+CF3COOH"	132.026685
"1649530"	497.17578	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+Na+CF3COOH"	136.98208
"1578982"	513.14972	"C01780"	"Aldosterone;11beta21-Dihydroxy-320-dioxo-4-pregnen-18-al"	"C21H28O5"	"360.1937"	"M+K+CF3COOH"	152.95602
"803878"	94.0419	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M"	0
"982879"	75.02351	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-H2O-H"	-19.01839
"68934"	61.687324	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M-3H"	-3.021828
"512873"	93.034624	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M-3H"	-3.021828
"887394"	30.340024	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-3H"	-3.021828
"3787"	93.034624	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M-2H"	-2.014552
"446627"	140.055574	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M-2H"	-2.014552
"822243"	46.013674	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-2H"	-2.014552
"85514"	187.076524	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M-H"	-1.007276
"523983"	281.118424	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M-H"	-1.007276
"899597"	93.034624	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-H"	-1.007276
"55069"	204.103071	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M-2H+NH4"	16.019271
"491347"	298.144971	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M-2H+NH4"	16.019271
"872431"	110.061171	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-2H+NH4"	16.019271
"38145"	209.058466	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M-2H+Na"	20.974666
"479891"	303.100366	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M-2H+Na"	20.974666
"854412"	115.016566	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-2H+Na"	20.974666
"1621757"	115.016566	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Na-2H"	20.974666
"94556"	111.022963	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M-H+Cl"	33.962126
"534520"	158.043913	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M-H+Cl"	33.962126
"927714"	64.002013	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-H+Cl"	33.962126
"267608"	223.053202	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+Cl"	34.969402
"660393"	317.095102	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+Cl"	34.969402
"1279117"	129.011302	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Cl"	34.969402
"20579"	225.032406	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M-2H+K"	36.948606
"456130"	319.074306	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M-2H+K"	36.948606
"833689"	130.990506	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-2H+K"	36.948606
"1559247"	130.990506	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+K-2H"	36.948606
"944944"	139.040094	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-H+HCOOH"	44.998194
"362795"	233.082001	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+HCOOH-H"	44.998201
"346313"	247.097651	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+Hac-H"	59.013851
"1493200"	153.055751	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Hac-H"	59.013851
"959159"	161.022051	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-H+NaCOOH"	66.980151
"111232"	129.011302	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+2Cl"	69.938804
"555166"	176.032252	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+2Cl"	69.938804
"1022144"	81.990352	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2Cl"	69.938804
"1245732"	172.960785	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Br"	78.918885
"1314740"	175.016772	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Cl+HCOOH"	80.974872
"1332237"	196.998729	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Cl+NaCOOH"	102.956829
"920016"	207.027486	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M-H+CF3COOH"	112.985586
"1289069"	243.004164	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Cl+CF3COOH"	148.962264
"1370511"	59.029224	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H-2H2O"	-35.012676
"1384728"	77.0392	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H-H2O"	-17.0027
"292068"	189.091076	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+H"	1.007276
"686677"	283.132976	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+H"	1.007276
"1356469"	95.049176	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H"	1.007276
"127534"	95.049176	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+2H"	2.014552
"575478"	142.070126	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+2H"	2.014552
"1041000"	48.028226	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2H"	2.014552
"211086"	63.701876	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+3H"	3.021828
"648823"	95.049176	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+3H"	3.021828
"1165128"	32.354576	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+3H"	3.021828
"427671"	206.117623	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+NH4"	18.033823
"790854"	300.159523	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+NH4"	18.033823
"1686092"	112.075723	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+NH4"	18.033823
"333276"	103.5624495	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+H+NH4"	19.041099
"724235"	150.5833995	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+H+NH4"	19.041099
"1479517"	56.5414995	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H+NH4"	19.041099
"394916"	211.073018	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+Na"	22.989218
"759192"	305.114918	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+Na"	22.989218
"1605103"	117.031118	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Na"	22.989218
"315872"	106.040147	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+H+Na"	23.996494
"713028"	153.061097	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+H+Na"	23.996494
"1469037"	59.019197	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H+Na"	23.996494
"1057911"	39.68189	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2H+Na"	25.00377
"1265057"	127.075386	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+CH3OH+H"	33.033486
"382538"	227.046958	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+K"	38.963158
"745722"	321.088858	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+K"	38.963158
"1552150"	133.005058	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+K"	38.963158
"307136"	114.027117	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+H+K"	39.970434
"700652"	161.048067	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+H+K"	39.970434
"1457391"	67.006167	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H+K"	39.970434
"243075"	230.117626	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+ACN+H"	42.033826
"1222713"	136.075726	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+ACN+H"	42.033826
"1206961"	68.541501	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+ACN+2H"	43.041102
"199103"	233.05496	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+2Na-H"	44.97116
"637570"	327.09686	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+2Na-H"	44.97116
"1146072"	139.01306	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2Na-H"	44.97116
"185107"	117.031118	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+2Na"	45.978436
"619566"	164.052068	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+2Na"	45.978436
"1123072"	70.010168	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2Na"	45.978436
"1402584"	47.009204	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H+2Na"	46.985712
"1433245"	141.054646	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H+HCOOH"	47.012746
"222211"	122.06414	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+3H2O+2H"	56.04448
"1519392"	155.10669	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+IsoProp+H"	61.06479
"415066"	125.018088	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+Na+K"	61.952376
"776059"	172.039038	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+Na+K"	61.952376
"1673483"	77.997138	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Na+K"	61.952376
"258907"	252.099568	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+ACN+Na"	64.015768
"1232711"	158.057668	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+ACN+Na"	64.015768
"1720141"	158.081193	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+NH4+HCOOH"	64.039293
"1186952"	54.336518	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+3Na"	68.967654
"1654664"	163.036588	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Na+HCOOH"	68.994688
"158364"	265.00284	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+2K-H"	76.91904
"599257"	359.04474	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+2K-H"	76.91904
"1086685"	170.96094	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2K-H"	76.91904
"147888"	133.005058	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"2M+2K"	77.926316
"587447"	180.026008	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"3M+2K"	77.926316
"1076332"	85.984108	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2K"	77.926316
"1105166"	172.975492	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2K+H"	78.933592
"1340460"	173.063107	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+DMSO+H"	79.021207
"1012269"	177.102276	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2ACN+H"	83.060376
"1530395"	178.095908	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+IsoProp+Na+H"	84.054008
"999034"	89.054776	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+2ACN+2H"	84.067652
"1599007"	179.010528	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+K+HCOOH"	84.968628
"1426857"	209.042038	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+H+CF3COOH"	115.000138
"1160426"	109.568051	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+3ACN+2H"	125.094202
"1709976"	226.068585	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+NH4+CF3COOH"	132.026685
"1649640"	231.02398	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+Na+CF3COOH"	136.98208
"1579092"	246.99792	"C01782"	"Arene oxide"	"C6H6O"	"94.0419"	"M+K+CF3COOH"	152.95602
"801799"	279.0098	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M"	0
"982989"	259.99141	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-H2O-H"	-19.01839
"66858"	184.999257333333	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M-3H"	-3.021828
"512983"	278.002524	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M-3H"	-3.021828
"889691"	91.9959906666667	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-3H"	-3.021828
"2075"	278.002524	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M-2H"	-2.014552
"445644"	417.507424	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M-2H"	-2.014552
"822353"	138.497624	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-2H"	-2.014552
"84531"	557.012324	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M-H"	-1.007276
"521906"	836.022124	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M-H"	-1.007276
"899707"	278.002524	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-H"	-1.007276
"55179"	574.038871	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M-2H+NH4"	16.019271
"493644"	853.048671	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M-2H+NH4"	16.019271
"869261"	295.029071	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-2H+NH4"	16.019271
"41535"	578.994266	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M-2H+Na"	20.974666
"483280"	858.004066	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M-2H+Na"	20.974666
"854522"	299.984466	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-2H+Na"	20.974666
"1620773"	299.984466	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Na-2H"	20.974666
"96209"	295.990863	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M-H+Cl"	33.962126
"534431"	435.495763	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M-H+Cl"	33.962126
"927581"	156.485963	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-H+Cl"	33.962126
"267476"	592.989002	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+Cl"	34.969402
"660424"	871.998802	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+Cl"	34.969402
"1275947"	313.979202	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Cl"	34.969402
"20689"	594.968206	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M-2H+K"	36.948606
"456969"	873.978006	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M-2H+K"	36.948606
"833676"	315.958406	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-2H+K"	36.948606
"1562636"	315.958406	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+K-2H"	36.948606
"948329"	324.007994	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-H+HCOOH"	44.998194
"362173"	603.017801	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+HCOOH-H"	44.998201
"345690"	617.033451	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+Hac-H"	59.013851
"1492786"	338.023651	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Hac-H"	59.013851
"958857"	345.989951	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-H+NaCOOH"	66.980151
"110122"	313.979202	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+2Cl"	69.938804
"550166"	453.484102	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+2Cl"	69.938804
"1022614"	174.474302	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2Cl"	69.938804
"1241424"	357.928685	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Br"	78.918885
"1306224"	359.984672	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Cl+HCOOH"	80.974872
"1331253"	381.966629	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Cl+NaCOOH"	102.956829
"916846"	391.995386	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M-H+CF3COOH"	112.985586
"1289299"	427.972064	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Cl+CF3COOH"	148.962264
"1370621"	243.997124	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H-2H2O"	-35.012676
"1384838"	262.0071	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H-H2O"	-17.0027
"286711"	559.026876	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+H"	1.007276
"683507"	838.036676	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+H"	1.007276
"1356579"	280.017076	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H"	1.007276
"125861"	280.017076	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+2H"	2.014552
"567933"	419.521976	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+2H"	2.014552
"1040015"	140.512176	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2H"	2.014552
"211196"	187.013809333333	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+3H"	3.021828
"648204"	280.017076	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+3H"	3.021828
"1164509"	94.0105426666667	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+3H"	3.021828
"426685"	576.053423	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+NH4"	18.033823
"789139"	855.063223	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+NH4"	18.033823
"1684741"	297.043623	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+NH4"	18.033823
"332657"	288.5303495	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+H+NH4"	19.041099
"723858"	428.0352495	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+H+NH4"	19.041099
"1478287"	149.0254495	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H+NH4"	19.041099
"393931"	581.008818	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+Na"	22.989218
"757116"	860.018618	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+Na"	22.989218
"1604483"	301.999018	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Na"	22.989218
"315616"	291.008047	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+H+Na"	23.996494
"708766"	430.512947	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+H+Na"	23.996494
"1465868"	151.503147	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H+Na"	23.996494
"1056927"	101.337856666667	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2H+Na"	25.00377
"1258604"	312.043286	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+CH3OH+H"	33.033486
"382647"	596.982758	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+K"	38.963158
"746924"	875.992558	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+K"	38.963158
"1545698"	317.972958	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+K"	38.963158
"310526"	298.995017	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+H+K"	39.970434
"705865"	438.499917	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+H+K"	39.970434
"1458593"	159.490117	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H+K"	39.970434
"243183"	600.053426	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+ACN+H"	42.033826
"1222459"	321.043626	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+ACN+H"	42.033826
"1208166"	161.025451	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+ACN+2H"	43.041102
"199213"	602.99076	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+2Na-H"	44.97116
"635493"	882.00056	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+2Na-H"	44.97116
"1145332"	323.98096	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2Na-H"	44.97116
"182301"	301.999018	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+2Na"	45.978436
"619674"	441.503918	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+2Na"	45.978436
"1119535"	162.494118	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2Na"	45.978436
"1403058"	108.665170666667	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H+2Na"	46.985712
"1436635"	326.022546	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H+HCOOH"	47.012746
"221591"	307.03204	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+3H2O+2H"	56.04448
"1516220"	340.07459	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+IsoProp+H"	61.06479
"416269"	309.985988	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+Na+K"	61.952376
"775076"	449.490888	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+Na+K"	61.952376
"1671407"	170.481088	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Na+K"	61.952376
"260109"	622.035368	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+ACN+Na"	64.015768
"1232456"	343.025568	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+ACN+Na"	64.015768
"1720977"	343.049093	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+NH4+HCOOH"	64.039293
"1186333"	115.992484666667	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+3Na"	68.967654
"1652586"	348.004488	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Na+HCOOH"	68.994688
"159446"	634.93864	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+2K-H"	76.91904
"599245"	913.94844	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+2K-H"	76.91904
"1090077"	355.92884	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2K-H"	76.91904
"142523"	317.972958	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"2M+2K"	77.926316
"587556"	457.477858	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"3M+2K"	77.926316
"1077536"	178.468058	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2K"	77.926316
"1106369"	357.943392	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2K+H"	78.933592
"1340570"	358.031007	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+DMSO+H"	79.021207
"1010191"	362.070176	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2ACN+H"	83.060376
"1530505"	363.063808	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+IsoProp+Na+H"	84.054008
"1000237"	181.538726	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+2ACN+2H"	84.067652
"1598024"	363.978428	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+K+HCOOH"	84.968628
"1426967"	394.009938	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+H+CF3COOH"	115.000138
"1159443"	202.052001	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+3ACN+2H"	125.094202
"1710086"	411.036485	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+NH4+CF3COOH"	132.026685
"1649021"	415.99188	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+Na+CF3COOH"	136.98208
"1579202"	431.96582	"C01783"	"Arylmercury"	"C6H5Hg"	"279.0098"	"M+K+CF3COOH"	152.95602
"804462"	120.0687	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M"	0
"982005"	101.05031	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-H2O-H"	-19.01839
"70248"	79.038524	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M-3H"	-3.021828
"513093"	119.061424	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M-3H"	-3.021828
"890894"	39.015624	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-3H"	-3.021828
"5100"	119.061424	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M-2H"	-2.014552
"446848"	179.095774	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M-2H"	-2.014552
"825743"	59.027074	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-2H"	-2.014552
"87921"	239.130124	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M-H"	-1.007276
"522016"	359.198824	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M-H"	-1.007276
"899816"	119.061424	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-H"	-1.007276
"56382"	256.156671	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M-2H+NH4"	16.019271
"494847"	376.225371	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M-2H+NH4"	16.019271
"870464"	136.087971	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-2H+NH4"	16.019271
"45654"	261.112066	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M-2H+Na"	20.974666
"477922"	381.180766	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M-2H+Na"	20.974666
"852445"	141.043366	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-2H+Na"	20.974666
"1621975"	141.043366	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Na-2H"	20.974666
"96321"	137.049763	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M-H+Cl"	33.962126
"536245"	197.084113	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M-H+Cl"	33.962126
"928785"	77.015413	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-H+Cl"	33.962126
"270140"	275.106802	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+Cl"	34.969402
"663655"	395.175502	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+Cl"	34.969402
"1279338"	155.038102	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Cl"	34.969402
"21894"	277.086006	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M-2H+K"	36.948606
"458173"	397.154706	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M-2H+K"	36.948606
"835002"	157.017306	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-2H+K"	36.948606
"1566026"	157.017306	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+K-2H"	36.948606
"946252"	165.066894	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-H+HCOOH"	44.998194
"363377"	285.135601	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+HCOOH-H"	44.998201
"346774"	299.151251	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+Hac-H"	59.013851
"1492928"	179.082551	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Hac-H"	59.013851
"958811"	187.048851	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-H+NaCOOH"	66.980151
"110351"	155.038102	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+2Cl"	69.938804
"550112"	215.072452	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+2Cl"	69.938804
"1025277"	95.003752	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2Cl"	69.938804
"1243761"	198.987585	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Br"	78.918885
"1308398"	201.043572	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Cl+HCOOH"	80.974872
"1330270"	223.025529	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Cl+NaCOOH"	102.956829
"912216"	233.054286	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M-H+CF3COOH"	112.985586
"1291838"	269.030964	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Cl+CF3COOH"	148.962264
"1369271"	85.056024	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H-2H2O"	-35.012676
"1382921"	103.066	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H-H2O"	-17.0027
"284634"	241.144676	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+H"	1.007276
"683617"	361.213376	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+H"	1.007276
"1355230"	121.075976	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H"	1.007276
"126658"	121.075976	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+2H"	2.014552
"569865"	181.110326	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+2H"	2.014552
"1040852"	61.041626	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2H"	2.014552
"212399"	81.053076	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+3H"	3.021828
"650866"	121.075976	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+3H"	3.021828
"1164249"	41.030176	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+3H"	3.021828
"428252"	258.171223	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+NH4"	18.033823
"792164"	378.239923	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+NH4"	18.033823
"1685217"	138.102523	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+NH4"	18.033823
"332764"	129.5892495	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+H+NH4"	19.041099
"724818"	189.6235995	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+H+NH4"	19.041099
"1479003"	69.5548995	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H+NH4"	19.041099
"395138"	263.126618	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+Na"	22.989218
"756133"	383.195318	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+Na"	22.989218
"1603985"	143.057918	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Na"	22.989218
"316452"	132.066947	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+H+Na"	23.996494
"708996"	192.101297	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+H+Na"	23.996494
"1465977"	72.032597	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H+Na"	23.996494
"1054971"	48.35749	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2H+Na"	25.00377
"1257984"	153.102186	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+CH3OH+H"	33.033486
"379477"	279.100558	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+K"	38.963158
"750314"	399.169258	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+K"	38.963158
"1552368"	159.031858	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+K"	38.963158
"311729"	140.053917	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+H+K"	39.970434
"706339"	200.088267	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+H+K"	39.970434
"1460159"	80.019567	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H+K"	39.970434
"242199"	282.171226	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+ACN+H"	42.033826
"1223298"	162.102526	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+ACN+H"	42.033826
"1208519"	81.554901	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+ACN+2H"	43.041102
"198229"	285.10856	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+2Na-H"	44.97116
"636695"	405.17726	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+2Na-H"	44.97116
"1144953"	165.03986	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2Na-H"	44.97116
"182411"	143.057918	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+2Na"	45.978436
"620147"	203.092268	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+2Na"	45.978436
"1121465"	83.023568	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2Na"	45.978436
"1403164"	55.684804	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H+2Na"	46.985712
"1434918"	167.081446	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H+HCOOH"	47.012746
"222795"	148.09094	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+3H2O+2H"	56.04448
"1511223"	181.13349	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+IsoProp+H"	61.06479
"410908"	151.044888	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+Na+K"	61.952376
"773360"	211.079238	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+Na+K"	61.952376
"1673704"	91.010538	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Na+K"	61.952376
"258032"	304.153168	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+ACN+Na"	64.015768
"1231838"	184.084468	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+ACN+Na"	64.015768
"1718536"	184.107993	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+NH4+HCOOH"	64.039293
"1184985"	63.012118	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+3Na"	68.967654
"1652697"	189.063388	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Na+HCOOH"	68.994688
"161743"	317.05644	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+2K-H"	76.91904
"597815"	437.12514	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+2K-H"	76.91904
"1091280"	196.98774	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2K-H"	76.91904
"143120"	159.031858	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"2M+2K"	77.926316
"588760"	219.066208	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"3M+2K"	77.926316
"1078739"	98.997508	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2K"	77.926316
"1109761"	199.002292	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2K+H"	78.933592
"1341775"	199.089907	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+DMSO+H"	79.021207
"1010303"	203.129076	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2ACN+H"	83.060376
"1531709"	204.122708	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+IsoProp+Na+H"	84.054008
"1000348"	102.068176	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+2ACN+2H"	84.067652
"1597040"	205.037328	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+K+HCOOH"	84.968628
"1427077"	235.068838	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+H+CF3COOH"	115.000138
"1159553"	122.581451	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+3ACN+2H"	125.094202
"1711657"	252.095385	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+NH4+CF3COOH"	132.026685
"1648037"	257.05078	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+Na+CF3COOH"	136.98208
"1579312"	273.02472	"C01784"	"Benzamidine;Benzenecarboxamidine"	"C7H8N2"	"120.0687"	"M+K+CF3COOH"	152.95602
"809676"	110.0368	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M"	0
"979928"	91.01841	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-H2O-H"	-19.01839
"70358"	72.3505906666667	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M-3H"	-3.021828
"515390"	109.029524	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M-3H"	-3.021828
"893193"	35.6716573333333	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-3H"	-3.021828
"9585"	109.029524	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M-2H"	-2.014552
"449144"	164.047924	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M-2H"	-2.014552
"826946"	54.011124	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-2H"	-2.014552
"88031"	219.066324	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M-H"	-1.007276
"527593"	329.103124	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M-H"	-1.007276
"902114"	109.029524	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-H"	-1.007276
"56492"	236.092871	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M-2H+NH4"	16.019271
"494957"	346.129671	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M-2H+NH4"	16.019271
"871667"	126.056071	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-2H+NH4"	16.019271
"36288"	241.048266	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M-2H+Na"	20.974666
"480220"	351.085066	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M-2H+Na"	20.974666
"854742"	131.011466	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-2H+Na"	20.974666
"1623181"	131.011466	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Na-2H"	20.974666
"99711"	127.017863	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M-H+Cl"	33.962126
"537082"	182.036263	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M-H+Cl"	33.962126
"932785"	71.999463	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-H+Cl"	33.962126
"272436"	255.043002	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+Cl"	34.969402
"665952"	365.079802	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+Cl"	34.969402
"1276167"	145.006202	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Cl"	34.969402
"23097"	257.022206	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M-2H+K"	36.948606
"458283"	367.059006	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M-2H+K"	36.948606
"835355"	146.985406	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-2H+K"	36.948606
"1562856"	146.985406	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+K-2H"	36.948606
"945270"	155.034994	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-H+HCOOH"	44.998194
"362394"	265.071801	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+HCOOH-H"	44.998201
"346520"	279.087451	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+Hac-H"	59.013851
"1493038"	169.050651	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Hac-H"	59.013851
"958585"	177.016951	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-H+NaCOOH"	66.980151
"110125"	145.006202	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+2Cl"	69.938804
"550182"	200.024602	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+2Cl"	69.938804
"1025387"	89.987802	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2Cl"	69.938804
"1242050"	188.955685	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Br"	78.918885
"1307416"	191.011672	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Cl+HCOOH"	80.974872
"1331473"	212.993629	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Cl+NaCOOH"	102.956829
"912327"	223.022386	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M-H+CF3COOH"	112.985586
"1291587"	258.999064	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Cl+CF3COOH"	148.962264
"1369747"	75.024124	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H-2H2O"	-35.012676
"1382868"	93.0341	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H-H2O"	-17.0027
"283771"	221.080876	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+H"	1.007276
"676799"	331.117676	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+H"	1.007276
"1353153"	111.044076	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H"	1.007276
"126764"	111.044076	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+2H"	2.014552
"567057"	166.062476	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+2H"	2.014552
"1038774"	56.025676	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2H"	2.014552
"210323"	74.3651426666667	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+3H"	3.021828
"649883"	111.044076	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+3H"	3.021828
"1163995"	37.6862093333333	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+3H"	3.021828
"427633"	238.107423	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+NH4"	18.033823
"789723"	348.144223	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+NH4"	18.033823
"1683502"	128.070623	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+NH4"	18.033823
"330685"	119.5573495	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+H+NH4"	19.041099
"723106"	174.5757495	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+H+NH4"	19.041099
"1479117"	64.5389495	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H+NH4"	19.041099
"393424"	243.062818	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+Na"	22.989218
"754390"	353.099618	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+Na"	22.989218
"1603728"	133.026018	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Na"	22.989218
"314742"	122.035047	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+H+Na"	23.996494
"707404"	177.053447	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+H+Na"	23.996494
"1462928"	67.016647	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H+Na"	23.996494
"1053132"	45.0135233333333	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2H+Na"	25.00377
"1257242"	143.070286	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+CH3OH+H"	33.033486
"380680"	259.036758	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+K"	38.963158
"743864"	369.073558	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+K"	38.963158
"1552114"	148.999958	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+K"	38.963158
"308559"	130.022017	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+H+K"	39.970434
"703169"	185.040417	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+H+K"	39.970434
"1454802"	75.003617	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H+K"	39.970434
"241216"	262.107426	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+ACN+H"	42.033826
"1221586"	152.070626	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+ACN+H"	42.033826
"1208384"	76.538951	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+ACN+2H"	43.041102
"195058"	265.04476	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+2Na-H"	44.97116
"636074"	375.08156	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+2Na-H"	44.97116
"1138126"	155.00796	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2Na-H"	44.97116
"179969"	133.026018	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+2Na"	45.978436
"615519"	188.044418	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+2Na"	45.978436
"1119023"	78.007618	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2Na"	45.978436
"1402550"	52.3408373333333	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H+2Na"	46.985712
"1434664"	157.049546	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H+HCOOH"	47.012746
"222902"	138.05904	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+3H2O+2H"	56.04448
"1511698"	171.10159	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+IsoProp+H"	61.06479
"410289"	141.012988	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+Na+K"	61.952376
"772741"	196.031388	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+Na+K"	61.952376
"1674907"	85.994588	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Na+K"	61.952376
"258143"	284.089368	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+ACN+Na"	64.015768
"1230855"	174.052568	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+ACN+Na"	64.015768
"1717553"	174.076093	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+NH4+HCOOH"	64.039293
"1186188"	59.6681513333333	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+3Na"	68.967654
"1656087"	179.031488	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Na+HCOOH"	68.994688
"161853"	296.99264	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+2K-H"	76.91904
"600317"	407.02944	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+2K-H"	76.91904
"1091390"	186.95584	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2K-H"	76.91904
"143838"	148.999958	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"2M+2K"	77.926316
"586685"	204.018358	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"3M+2K"	77.926316
"1075570"	93.981558	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2K"	77.926316
"1106595"	188.970392	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2K+H"	78.933592
"1339699"	189.058007	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+DMSO+H"	79.021207
"1007500"	193.097176	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2ACN+H"	83.060376
"1529633"	194.090808	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+IsoProp+Na+H"	84.054008
"1001552"	97.052226	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+2ACN+2H"	84.067652
"1599340"	195.005428	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+K+HCOOH"	84.968628
"1426094"	225.036938	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+H+CF3COOH"	115.000138
"1159662"	117.565501	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+3ACN+2H"	125.094202
"1712010"	242.063485	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+NH4+CF3COOH"	132.026685
"1648148"	247.01888	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+Na+CF3COOH"	136.98208
"1579422"	262.99282	"C01785"	"Benzenediol"	"C6H6O2"	"110.0368"	"M+K+CF3COOH"	152.95602
"809786"	533.0812	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M"	0
"978945"	514.06281	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-H2O-H"	-19.01839
"68281"	354.380190666667	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M-3H"	-3.021828
"510032"	532.073924	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M-3H"	-3.021828
"892210"	176.686457333333	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-3H"	-3.021828
"7508"	532.073924	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M-2H"	-2.014552
"449254"	798.614524	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M-2H"	-2.014552
"828149"	265.533324	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-2H"	-2.014552
"88141"	1065.155124	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M-H"	-1.007276
"527703"	1598.236324	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M-H"	-1.007276
"902224"	532.073924	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-H"	-1.007276
"56602"	1082.181671	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+NH4"	16.019271
"495067"	1615.262871	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+NH4"	16.019271
"871777"	549.100471	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-2H+NH4"	16.019271
"37491"	1087.137066	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+Na"	20.974666
"480330"	1620.218266	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+Na"	20.974666
"854852"	554.055866	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-2H+Na"	20.974666
"1623291"	554.055866	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Na-2H"	20.974666
"97634"	550.062263	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M-H+Cl"	33.962126
"537192"	816.602863	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M-H+Cl"	33.962126
"930706"	283.521663	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-H+Cl"	33.962126
"271451"	1101.131802	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+Cl"	34.969402
"667155"	1634.213002	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+Cl"	34.969402
"1279558"	568.050602	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Cl"	34.969402
"23207"	1103.111006	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+K"	36.948606
"457300"	1636.192206	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+K"	36.948606
"834371"	570.029806	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-2H+K"	36.948606
"1559685"	570.029806	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+K-2H"	36.948606
"943110"	578.079394	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-H+HCOOH"	44.998194
"362138"	1111.160601	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+HCOOH-H"	44.998201
"347117"	1125.176251	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+Hac-H"	59.013851
"1493023"	592.095051	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Hac-H"	59.013851
"958744"	600.061351	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-H+NaCOOH"	66.980151
"110405"	568.050602	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+2Cl"	69.938804
"552687"	834.591202	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+2Cl"	69.938804
"1022944"	301.510002	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2Cl"	69.938804
"1248357"	612.000085	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Br"	78.918885
"1304975"	614.056072	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+HCOOH"	80.974872
"1320284"	636.038029	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+NaCOOH"	102.956829
"912073"	646.066786	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M-H+CF3COOH"	112.985586
"1292788"	682.043464	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+CF3COOH"	148.962264
"1367142"	498.068524	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H-2H2O"	-35.012676
"1386257"	516.0785	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H-H2O"	-17.0027
"284852"	1067.169676	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+H"	1.007276
"676908"	1600.250876	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+H"	1.007276
"1352168"	534.088476	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H"	1.007276
"126150"	534.088476	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+2H"	2.014552
"566802"	800.629076	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+2H"	2.014552
"1037790"	267.547876	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2H"	2.014552
"206543"	356.394742666667	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+3H"	3.021828
"648899"	534.088476	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+3H"	3.021828
"1164104"	178.701009333333	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+3H"	3.021828
"428470"	1084.196223	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+NH4"	18.033823
"789833"	1617.277423	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+NH4"	18.033823
"1683613"	551.115023	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+NH4"	18.033823
"330798"	542.6017495	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+H+NH4"	19.041099
"724068"	809.1423495	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+H+NH4"	19.041099
"1478495"	276.0611495	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H+NH4"	19.041099
"393166"	1089.151618	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+Na"	22.989218
"756347"	1622.232818	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+Na"	22.989218
"1605172"	556.070418	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Na"	22.989218
"314321"	545.079447	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+H+Na"	23.996494
"709095"	811.620047	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+H+Na"	23.996494
"1464010"	278.538847	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H+Na"	23.996494
"1052915"	186.028323333333	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2H+Na"	25.00377
"1257070"	566.114686	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+CH3OH+H"	33.033486
"382977"	1105.125558	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+K"	38.963158
"743974"	1638.206758	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+K"	38.963158
"1546028"	572.044358	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+K"	38.963158
"305389"	553.066417	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+H+K"	39.970434
"703279"	819.607017	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+H+K"	39.970434
"1456005"	286.525817	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H+K"	39.970434
"242419"	1108.196226	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+H"	42.033826
"1222788"	575.115026	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+H"	42.033826
"1204482"	288.061151	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+2H"	43.041102
"197355"	1111.13356	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na-H"	44.97116
"635820"	1644.21476	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na-H"	44.97116
"1138236"	578.05236	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2Na-H"	44.97116
"179350"	556.070418	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na"	45.978436
"616114"	822.611018	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na"	45.978436
"1118403"	289.529818	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2Na"	45.978436
"1401566"	193.355637333333	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H+2Na"	46.985712
"1434774"	580.093946	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H+HCOOH"	47.012746
"223011"	561.10344	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+3H2O+2H"	56.04448
"1509497"	594.14599	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+H"	61.06479
"410761"	564.057388	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+Na+K"	61.952376
"772488"	830.597988	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+Na+K"	61.952376
"1671008"	297.516788	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Na+K"	61.952376
"256067"	1130.178168	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+Na"	64.015768
"1228777"	597.096968	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+Na"	64.015768
"1717663"	597.120493	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+HCOOH"	64.039293
"1185205"	200.682951333333	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+3Na"	68.967654
"1653281"	602.075888	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Na+HCOOH"	68.994688
"160141"	1143.08144	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+2K-H"	76.91904
"599334"	1676.16264	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+2K-H"	76.91904
"1089313"	610.00024	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2K-H"	76.91904
"146137"	572.044358	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"2M+2K"	77.926316
"585702"	838.584958	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"3M+2K"	77.926316
"1075680"	305.503758	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2K"	77.926316
"1105612"	612.014792	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2K+H"	78.933592
"1341997"	612.102407	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+DMSO+H"	79.021207
"1009433"	616.141576	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+H"	83.060376
"1528650"	617.135208	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+Na+H"	84.054008
"999476"	308.574426	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+2H"	84.067652
"1601394"	618.049828	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+K+HCOOH"	84.968628
"1427299"	648.081338	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+H+CF3COOH"	115.000138
"1159773"	329.087701	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+3ACN+2H"	125.094202
"1711149"	665.107885	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+CF3COOH"	132.026685
"1648258"	670.06328	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+Na+CF3COOH"	136.98208
"1579532"	686.03722	"C01788"	"CDP-abequose;CDP-alpha-D-abequose"	"C15H25N3O14P2"	"533.0812"	"M+K+CF3COOH"	152.95602
"809896"	400.3705	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M"	0
"984523"	381.35211	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"72766"	265.906390666667	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"510142"	399.363224	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"890134"	132.449557333333	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"4338"	399.363224	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"448271"	599.548474	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"826073"	199.177974	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"86064"	799.733724	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"524533"	1200.104224	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"902334"	399.363224	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"56712"	816.760271	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"494084"	1217.130771	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"871887"	416.389771	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"36508"	821.715666	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"480440"	1222.086166	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"854962"	421.345166	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1625588"	421.345166	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"95920"	417.351563	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"535358"	617.536813	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"927778"	217.166313	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"270468"	835.710402	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"665079"	1236.080902	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1280761"	435.339902	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"25505"	837.689606	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"461785"	1238.060106	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"837400"	437.319106	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1563076"	437.319106	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"945126"	445.368694	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"363709"	845.739201	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"346862"	859.754851	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1492905"	459.384351	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"960683"	467.350651	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"110438"	435.339902	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"551339"	635.525152	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1024514"	235.154652	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1248467"	479.289385	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1308729"	481.345372	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1325134"	503.327329	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"918380"	513.356086	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1289620"	549.332764	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1369240"	365.357824	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1383818"	383.3678	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"284237"	801.748276	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"679575"	1202.118776	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1354832"	401.377776	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"126991"	401.377776	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"568008"	601.563026	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1039357"	201.192526	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"206898"	267.920942666667	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"650103"	401.377776	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1164944"	134.464109333333	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"428579"	818.774823	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"792128"	1219.145323	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1685180"	418.404323	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"332002"	409.8910495	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"724787"	610.0762995	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1478606"	209.7057995	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"393397"	823.730218	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"755727"	1224.100718	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1604191"	423.359718	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"315445"	412.368747	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"708111"	612.553997	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1463148"	212.183497	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1054329"	141.791423333333	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1258679"	433.403986	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"379808"	839.704158	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"744085"	1240.074658	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1548327"	439.333658	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"306594"	420.355717	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"700109"	620.540967	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1456115"	220.170467	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"241436"	842.774826	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1222898"	442.404326	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1203499"	221.705801	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"194185"	845.71216	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"633746"	1246.08266	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1143814"	445.34166	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"179451"	423.359718	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"617926"	623.544968	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1118636"	223.174468	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1400825"	149.118737333333	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1433062"	447.383246	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"223122"	428.39274	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1509606"	461.43529	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"411238"	431.346688	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"772598"	631.531938	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1670754"	231.161438	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"253992"	864.756768	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1231073"	464.386268	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1718140"	464.409793	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1182035"	156.446051333333	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1653027"	469.365188	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"160980"	877.66004	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"597333"	1278.03054	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1085413"	477.28954	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"147340"	439.333658	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"586905"	639.518908	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1074697"	239.148408	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1107908"	479.304092	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1342107"	479.391707	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1011729"	483.430876	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1528760"	484.424508	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"999586"	242.219076	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1601746"	485.339128	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1425220"	515.370638	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1159882"	262.732351	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1711865"	532.397185	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1647274"	537.35258	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1579642"	553.32652	"C01789"	"Campesterol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"806728"	485.6834	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M"	0
"980261"	466.66501	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-H2O-H"	-19.01839
"69599"	322.781657333333	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M-3H"	-3.021828
"506970"	484.676124	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M-3H"	-3.021828
"889153"	160.887190666667	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-3H"	-3.021828
"2260"	484.676124	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M-2H"	-2.014552
"449474"	727.517824	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M-2H"	-2.014552
"827276"	241.834424	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-2H"	-2.014552
"88364"	970.359524	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M-H"	-1.007276
"527924"	1456.042924	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M-H"	-1.007276
"904635"	484.676124	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-H"	-1.007276
"53542"	987.386071	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M-2H+NH4"	16.019271
"497477"	1473.069471	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M-2H+NH4"	16.019271
"869810"	501.702671	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-2H+NH4"	16.019271
"39896"	992.341466	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M-2H+Na"	20.974666
"478363"	1478.024866	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M-2H+Na"	20.974666
"849604"	506.658066	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-2H+Na"	20.974666
"1619503"	506.658066	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Na-2H"	20.974666
"94936"	502.664463	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M-H+Cl"	33.962126
"536319"	745.506163	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M-H+Cl"	33.962126
"929833"	259.822763	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-H+Cl"	33.962126
"273858"	1006.336202	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+Cl"	34.969402
"665189"	1492.019602	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+Cl"	34.969402
"1279777"	520.652802	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Cl"	34.969402
"24523"	1008.315406	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M-2H+K"	36.948606
"460801"	1493.998806	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M-2H+K"	36.948606
"838604"	522.632006	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-2H+K"	36.948606
"1556626"	522.632006	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+K-2H"	36.948606
"944512"	530.681594	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-H+HCOOH"	44.998194
"364185"	1016.365001	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+HCOOH-H"	44.998201
"346969"	1030.380651	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+Hac-H"	59.013851
"1493616"	544.697251	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Hac-H"	59.013851
"959332"	552.663551	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-H+NaCOOH"	66.980151
"111155"	520.652802	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+2Cl"	69.938804
"550720"	763.494502	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+2Cl"	69.938804
"1023530"	277.811102	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2Cl"	69.938804
"1244202"	564.602285	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Br"	78.918885
"1308837"	566.658272	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Cl+HCOOH"	80.974872
"1320868"	588.640229	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Cl+NaCOOH"	102.956829
"915203"	598.668986	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M-H+CF3COOH"	112.985586
"1293006"	634.645664	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Cl+CF3COOH"	148.962264
"1367889"	450.670724	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H-2H2O"	-35.012676
"1387569"	468.6807	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H-H2O"	-17.0027
"283373"	972.374076	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+H"	1.007276
"675996"	1458.057476	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+H"	1.007276
"1353484"	486.690676	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H"	1.007276
"130019"	486.690676	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+2H"	2.014552
"568120"	729.532376	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+2H"	2.014552
"1042751"	243.848976	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2H"	2.014552
"207372"	324.796209333333	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+3H"	3.021828
"646201"	486.690676	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+3H"	3.021828
"1163232"	162.901742666667	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+3H"	3.021828
"426504"	989.400623	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+NH4"	18.033823
"788597"	1475.084023	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+NH4"	18.033823
"1682374"	503.717223	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+NH4"	18.033823
"332112"	495.2039495	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+H+NH4"	19.041099
"724898"	738.0456495	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+H+NH4"	19.041099
"1478354"	252.3622495	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H+NH4"	19.041099
"393872"	994.356018	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+Na"	22.989218
"756570"	1480.039418	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+Na"	22.989218
"1614511"	508.672618	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Na"	22.989218
"326734"	497.681647	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+H+Na"	23.996494
"711502"	740.523347	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+H+Na"	23.996494
"1465324"	254.839947	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H+Na"	23.996494
"1054193"	170.229056666667	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2H+Na"	25.00377
"1259155"	518.716886	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+CH3OH+H"	33.033486
"382103"	1010.329958	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+K"	38.963158
"743103"	1496.013358	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+K"	38.963158
"1549529"	524.646558	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+K"	38.963158
"303424"	505.668617	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+H+K"	39.970434
"699125"	748.510317	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+H+K"	39.970434
"1452946"	262.826917	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H+K"	39.970434
"244831"	1013.400626	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+ACN+H"	42.033826
"1221915"	527.717226	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+ACN+H"	42.033826
"1204706"	264.362251	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+ACN+2H"	43.041102
"195389"	1016.33796	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+2Na-H"	44.97116
"636045"	1502.02136	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+2Na-H"	44.97116
"1140644"	530.65456	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2Na-H"	44.97116
"175190"	508.672618	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+2Na"	45.978436
"615482"	751.514318	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+2Na"	45.978436
"1116924"	265.830918	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2Na"	45.978436
"1400083"	177.556370666667	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H+2Na"	46.985712
"1436093"	532.696146	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H+HCOOH"	47.012746
"223601"	513.70564	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+3H2O+2H"	56.04448
"1511664"	546.74819	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+IsoProp+H"	61.06479
"412440"	516.659588	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+Na+K"	61.952376
"771980"	759.501288	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+Na+K"	61.952376
"1671955"	273.817888	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Na+K"	61.952376
"255198"	1035.382568	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+ACN+Na"	64.015768
"1227908"	549.699168	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+ACN+Na"	64.015768
"1715700"	549.722693	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+NH4+HCOOH"	64.039293
"1178949"	184.883684666667	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+3Na"	68.967654
"1650380"	554.678088	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Na+HCOOH"	68.994688
"157182"	1048.28584	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+2K-H"	76.91904
"598461"	1533.96924	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+2K-H"	76.91904
"1087723"	562.60244	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2K-H"	76.91904
"145266"	524.646558	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"2M+2K"	77.926316
"583735"	767.488258	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"3M+2K"	77.926316
"1071892"	281.804858	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2K"	77.926316
"1108021"	564.616992	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2K+H"	78.933592
"1339299"	564.704607	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+DMSO+H"	79.021207
"1012934"	568.743776	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2ACN+H"	83.060376
"1537623"	569.737408	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+IsoProp+Na+H"	84.054008
"1004804"	284.875526	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+2ACN+2H"	84.067652
"1593108"	570.652028	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+K+HCOOH"	84.968628
"1425330"	600.683538	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+H+CF3COOH"	115.000138
"1153431"	305.388801	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+3ACN+2H"	125.094202
"1707358"	617.710085	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+NH4+CF3COOH"	132.026685
"1641915"	622.66548	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+Na+CF3COOH"	136.98208
"1579753"	638.63942	"C01792"	"Chlordecone;Kepone"	"C10Cl10O"	"485.6834"	"M+K+CF3COOH"	152.95602
"806838"	1157.3922	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M"	0
"989736"	1138.37381	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-H2O-H"	-19.01839
"78175"	770.587524	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M-3H"	-3.021828
"507085"	1156.384924	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M-3H"	-3.021828
"882700"	384.790124	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-3H"	-3.021828
"5650"	1156.384924	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M-2H"	-2.014552
"449584"	1735.081024	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M-2H"	-2.014552
"826295"	577.688824	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-2H"	-2.014552
"88474"	2313.777124	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M-H"	-1.007276
"522565"	3471.169324	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M-H"	-1.007276
"908392"	1156.384924	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-H"	-1.007276
"58024"	2330.803671	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M-2H+NH4"	16.019271
"495398"	3488.195871	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M-2H+NH4"	16.019271
"876480"	1173.411471	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-2H+NH4"	16.019271
"40007"	2335.759066	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M-2H+Na"	20.974666
"481753"	3493.151266	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M-2H+Na"	20.974666
"858462"	1178.366866	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-2H+Na"	20.974666
"1625808"	1178.366866	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Na-2H"	20.974666
"99055"	1174.373263	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M-H+Cl"	33.962126
"537523"	1753.069363	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M-H+Cl"	33.962126
"933226"	595.677163	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-H+Cl"	33.962126
"272876"	2349.753802	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+Cl"	34.969402
"664207"	3507.146002	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+Cl"	34.969402
"1276610"	1192.361602	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Cl"	34.969402
"23538"	2351.733006	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M-2H+K"	36.948606
"459819"	3509.125206	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M-2H+K"	36.948606
"834343"	1194.340806	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-2H+K"	36.948606
"1562206"	1194.340806	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+K-2H"	36.948606
"944252"	1202.390394	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-H+HCOOH"	44.998194
"362833"	2359.782601	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+HCOOH-H"	44.998201
"346349"	2373.798251	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+Hac-H"	59.013851
"1494089"	1216.406051	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Hac-H"	59.013851
"959808"	1224.372351	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-H+NaCOOH"	66.980151
"111141"	1192.361602	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+2Cl"	69.938804
"550827"	1771.057702	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+2Cl"	69.938804
"1023273"	613.665502	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2Cl"	69.938804
"1242853"	1236.311085	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Br"	78.918885
"1308947"	1238.367072	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Cl+HCOOH"	80.974872
"1321702"	1260.349029	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Cl+NaCOOH"	102.956829
"913128"	1270.377786	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M-H+CF3COOH"	112.985586
"1288984"	1306.354464	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Cl+CF3COOH"	148.962264
"1368360"	1122.379524	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H-2H2O"	-35.012676
"1383675"	1140.3895	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H-H2O"	-17.0027
"287009"	2315.791676	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+H"	1.007276
"676149"	3473.183876	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+H"	1.007276
"1352499"	1158.399476	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H"	1.007276
"127576"	1158.399476	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+2H"	2.014552
"567502"	1737.095576	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+2H"	2.014552
"1038242"	579.703376	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2H"	2.014552
"206386"	772.602076	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+3H"	3.021828
"646312"	1158.399476	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+3H"	3.021828
"1163708"	386.804676	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+3H"	3.021828
"426258"	2332.818223	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+NH4"	18.033823
"787613"	3490.210423	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+NH4"	18.033823
"1684305"	1175.426023	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+NH4"	18.033823
"333679"	1166.9127495	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+H+NH4"	19.041099
"727559"	1745.6088495	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+H+NH4"	19.041099
"1477609"	588.2166495	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H+NH4"	19.041099
"394593"	2337.773618	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+Na"	22.989218
"758869"	3495.165818	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+Na"	22.989218
"1611342"	1180.381418	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Na"	22.989218
"325753"	1169.390447	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+H+Na"	23.996494
"710519"	1748.086547	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+H+Na"	23.996494
"1462637"	590.694347	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H+Na"	23.996494
"1057584"	394.13199	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2H+Na"	25.00377
"1261450"	1190.425686	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+CH3OH+H"	33.033486
"383306"	2353.747558	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+K"	38.963158
"742118"	3511.139758	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+K"	38.963158
"1544173"	1196.355358	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+K"	38.963158
"304629"	1177.377417	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+H+K"	39.970434
"698145"	1756.073517	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+H+K"	39.970434
"1454154"	598.681317	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H+K"	39.970434
"242755"	2356.818226	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+ACN+H"	42.033826
"1213279"	1199.426026	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+ACN+H"	42.033826
"1197162"	600.216651	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+ACN+2H"	43.041102
"193315"	2359.75556	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+2Na-H"	44.97116
"631415"	3517.14776	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+2Na-H"	44.97116
"1134563"	1202.36336	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2Na-H"	44.97116
"176396"	1180.381418	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+2Na"	45.978436
"623618"	1759.077518	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+2Na"	45.978436
"1127124"	601.685318	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2Na"	45.978436
"1410650"	401.459304	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H+2Na"	46.985712
"1437299"	1204.404946	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H+HCOOH"	47.012746
"226993"	1185.41444	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+3H2O+2H"	56.04448
"1511773"	1218.45699	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+IsoProp+H"	61.06479
"414743"	1188.368388	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+Na+K"	61.952376
"775733"	1767.064488	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+Na+K"	61.952376
"1672071"	609.672288	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Na+K"	61.952376
"255311"	2378.800168	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+ACN+Na"	64.015768
"1229113"	1221.407968	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+ACN+Na"	64.015768
"1715816"	1221.431493	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+NH4+HCOOH"	64.039293
"1184449"	408.786618	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+3Na"	68.967654
"1650693"	1226.386888	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Na+HCOOH"	68.994688
"158649"	2391.70344	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+2K-H"	76.91904
"599672"	3549.09564	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+2K-H"	76.91904
"1094029"	1234.31124	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2K-H"	76.91904
"151940"	1196.355358	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"2M+2K"	77.926316
"593688"	1775.051458	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"3M+2K"	77.926316
"1076013"	617.659258	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2K"	77.926316
"1110316"	1236.325792	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2K+H"	78.933592
"1341233"	1236.413407	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+DMSO+H"	79.021207
"1017426"	1240.452576	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2ACN+H"	83.060376
"1534456"	1241.446208	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+IsoProp+Na+H"	84.054008
"999809"	620.729926	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+2ACN+2H"	84.067652
"1589939"	1242.360828	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+K+HCOOH"	84.968628
"1426532"	1272.392338	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+H+CF3COOH"	115.000138
"1150261"	641.243201	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+3ACN+2H"	125.094202
"1699811"	1289.418885	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+NH4+CF3COOH"	132.026685
"1636557"	1294.37428	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+Na+CF3COOH"	136.98208
"1583144"	1310.34822	"C01794"	"Choloyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-one-CoA"	"C45H74N7O20P3S"	"1157.3922"	"M+K+CF3COOH"	152.95602
"801532"	338.1392	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M"	0
"988868"	319.12081	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-H2O-H"	-19.01839
"66539"	224.418857333333	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M-3H"	-3.021828
"509383"	337.131924	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M-3H"	-3.021828
"888278"	111.705790666667	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-3H"	-3.021828
"9041"	337.131924	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M-2H"	-2.014552
"448601"	506.201524	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M-2H"	-2.014552
"822032"	168.062324	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-2H"	-2.014552
"89679"	675.271124	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M-H"	-1.007276
"528516"	1013.410324	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M-H"	-1.007276
"908137"	337.131924	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-H"	-1.007276
"59597"	692.297671	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M-2H+NH4"	16.019271
"497696"	1030.436871	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M-2H+NH4"	16.019271
"872217"	354.158471	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-2H+NH4"	16.019271
"39024"	697.253066	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M-2H+Na"	20.974666
"481863"	1035.392266	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M-2H+Na"	20.974666
"856386"	359.113866	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-2H+Na"	20.974666
"1621545"	359.113866	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Na-2H"	20.974666
"96614"	355.120263	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M-H+Cl"	33.962126
"537634"	524.189863	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M-H+Cl"	33.962126
"931875"	186.050663	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-H+Cl"	33.962126
"272259"	711.247802	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+Cl"	34.969402
"667596"	1049.387002	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+Cl"	34.969402
"1278905"	373.108602	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Cl"	34.969402
"23648"	713.227006	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M-2H+K"	36.948606
"462116"	1051.366206	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M-2H+K"	36.948606
"843200"	375.087806	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-2H+K"	36.948606
"1559035"	375.087806	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+K-2H"	36.948606
"945090"	383.137394	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-H+HCOOH"	44.998194
"362454"	721.276601	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+HCOOH-H"	44.998201
"348283"	735.292251	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+Hac-H"	59.013851
"1497481"	397.153051	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Hac-H"	59.013851
"961375"	405.119351	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-H+NaCOOH"	66.980151
"112470"	373.108602	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+2Cl"	69.938804
"553489"	542.178202	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+2Cl"	69.938804
"1023745"	204.039002	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2Cl"	69.938804
"1244053"	417.058085	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Br"	78.918885
"1306866"	419.114072	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Cl+HCOOH"	80.974872
"1322542"	441.096029	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Cl+NaCOOH"	102.956829
"917612"	451.124786	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M-H+CF3COOH"	112.985586
"1295415"	487.101464	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Cl+CF3COOH"	148.962264
"1371390"	303.126524	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H-2H2O"	-35.012676
"1384511"	321.1365	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H-H2O"	-17.0027
"286026"	677.285676	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+H"	1.007276
"677356"	1015.424876	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+H"	1.007276
"1351884"	339.146476	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H"	1.007276
"129144"	339.146476	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+2H"	2.014552
"568705"	508.216076	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+2H"	2.014552
"1038234"	170.076876	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2H"	2.014552
"206861"	226.433409333333	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+3H"	3.021828
"647883"	339.146476	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+3H"	3.021828
"1167101"	113.720342666667	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+3H"	3.021828
"429649"	694.312223	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+NH4"	18.033823
"788452"	1032.451423	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+NH4"	18.033823
"1684782"	356.173023	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+NH4"	18.033823
"333427"	347.6597495	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+H+NH4"	19.041099
"726577"	516.7293495	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+H+NH4"	19.041099
"1478210"	178.5901495	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H+NH4"	19.041099
"397983"	699.267618	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+Na"	22.989218
"760073"	1037.406818	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+Na"	22.989218
"1615463"	361.128418	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Na"	22.989218
"325864"	350.137447	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+H+Na"	23.996494
"710629"	519.207047	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+H+Na"	23.996494
"1462748"	181.067847	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H+Na"	23.996494
"1060974"	121.047656666667	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2H+Na"	25.00377
"1262654"	371.172686	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+CH3OH+H"	33.033486
"383417"	715.241558	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+K"	38.963158
"745510"	1053.380758	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+K"	38.963158
"1547564"	377.102358	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+K"	38.963158
"306927"	358.124417	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+H+K"	39.970434
"701535"	527.194017	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+H+K"	39.970434
"1453171"	189.054817	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H+K"	39.970434
"243959"	718.312226	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+ACN+H"	42.033826
"1215575"	380.173026	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+ACN+H"	42.033826
"1201644"	190.590151	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+ACN+2H"	43.041102
"194516"	721.24956	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+2Na-H"	44.97116
"631526"	1059.38876	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+2Na-H"	44.97116
"1134673"	383.11036	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2Na-H"	44.97116
"177599"	361.128418	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+2Na"	45.978436
"620448"	530.198018	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+2Na"	45.978436
"1127234"	192.058818	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2Na"	45.978436
"1410761"	128.374970666667	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H+2Na"	46.985712
"1440689"	385.151946	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H+HCOOH"	47.012746
"227103"	366.16144	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+3H2O+2H"	56.04448
"1510791"	399.20399	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+IsoProp+H"	61.06479
"411574"	369.115388	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+Na+K"	61.952376
"772566"	538.184988	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+Na+K"	61.952376
"1673276"	200.045788	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Na+K"	61.952376
"258702"	740.294168	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+ACN+Na"	64.015768
"1229587"	402.154968	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+ACN+Na"	64.015768
"1714828"	402.178493	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+NH4+HCOOH"	64.039293
"1179817"	135.702284666667	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+3Na"	68.967654
"1651532"	407.133888	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Na+HCOOH"	68.994688
"158269"	753.19744	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+2K-H"	76.91904
"600878"	1091.33664	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+2K-H"	76.91904
"1090859"	415.05824	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2K-H"	76.91904
"143664"	377.102358	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"2M+2K"	77.926316
"585048"	546.171958	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"3M+2K"	77.926316
"1071748"	208.032758	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2K"	77.926316
"1109331"	417.072792	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2K+H"	78.933592
"1340246"	417.160407	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+DMSO+H"	79.021207
"1008780"	421.199576	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2ACN+H"	83.060376
"1538211"	422.193208	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+IsoProp+Na+H"	84.054008
"999920"	211.103426	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+2ACN+2H"	84.067652
"1591141"	423.107828	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+K+HCOOH"	84.968628
"1422267"	453.139338	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+H+CF3COOH"	115.000138
"1155839"	231.616701	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+3ACN+2H"	125.094202
"1707577"	470.165885	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+NH4+CF3COOH"	132.026685
"1638854"	475.12128	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+Na+CF3COOH"	136.98208
"1583254"	491.09522	"C01795"	"Columbamine"	"C20H20NO4"	"338.1392"	"M+K+CF3COOH"	152.95602
"805234"	120.0423	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M"	0
"975850"	101.02391	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-H2O-H"	-19.01839
"66649"	79.020924	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M-3H"	-3.021828
"509493"	119.035024	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M-3H"	-3.021828
"884014"	39.006824	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-3H"	-3.021828
"9150"	119.035024	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M-2H"	-2.014552
"448711"	179.056174	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M-2H"	-2.014552
"819225"	59.013874	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-2H"	-2.014552
"86508"	239.077324	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M-H"	-1.007276
"530443"	359.119624	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M-H"	-1.007276
"908245"	119.035024	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-H"	-1.007276
"59340"	256.103871	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M-2H+NH4"	16.019271
"492338"	376.146171	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M-2H+NH4"	16.019271
"870140"	136.061571	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-2H+NH4"	16.019271
"35124"	261.059266	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M-2H+Na"	20.974666
"478693"	381.101566	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M-2H+Na"	20.974666
"852121"	141.016966	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-2H+Na"	20.974666
"1620925"	141.016966	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Na-2H"	20.974666
"97087"	137.023363	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M-H+Cl"	33.962126
"538470"	197.044513	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M-H+Cl"	33.962126
"930162"	77.002213	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-H+Cl"	33.962126
"268354"	275.054002	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+Cl"	34.969402
"662600"	395.096302	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+Cl"	34.969402
"1276828"	155.011702	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Cl"	34.969402
"19018"	277.033206	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M-2H+K"	36.948606
"455870"	397.075506	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M-2H+K"	36.948606
"835654"	156.990906	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-2H+K"	36.948606
"1558413"	156.990906	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+K-2H"	36.948606
"943376"	165.040494	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-H+HCOOH"	44.998194
"361952"	285.082801	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+HCOOH-H"	44.998201
"345997"	299.098451	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+Hac-H"	59.013851
"1493090"	179.056151	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Hac-H"	59.013851
"961849"	187.022451	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-H+NaCOOH"	66.980151
"112580"	155.011702	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+2Cl"	69.938804
"550683"	215.032852	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+2Cl"	69.938804
"1022033"	94.990552	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2Cl"	69.938804
"1242338"	198.961185	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Br"	78.918885
"1305515"	201.017172	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Cl+HCOOH"	80.974872
"1320340"	222.999129	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Cl+NaCOOH"	102.956829
"912861"	233.027886	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M-H+CF3COOH"	112.985586
"1295525"	269.004564	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Cl+CF3COOH"	148.962264
"1370407"	85.029624	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H-2H2O"	-35.012676
"1382959"	103.0396	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H-H2O"	-17.0027
"284313"	241.091876	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+H"	1.007276
"680382"	361.134176	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+H"	1.007276
"1354545"	121.049576	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H"	1.007276
"127188"	121.049576	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+2H"	2.014552
"569179"	181.070726	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+2H"	2.014552
"1037976"	61.028426	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2H"	2.014552
"205147"	81.035476	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+3H"	3.021828
"645800"	121.049576	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+3H"	3.021828
"1165388"	41.021376	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+3H"	3.021828
"425747"	258.118423	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+NH4"	18.033823
"786741"	378.160723	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+NH4"	18.033823
"1684527"	138.076123	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+NH4"	18.033823
"335358"	129.5628495	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+H+NH4"	19.041099
"725595"	189.5839995	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+H+NH4"	19.041099
"1478320"	69.5416995	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H+NH4"	19.041099
"396999"	263.073818	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+Na"	22.989218
"762369"	383.116118	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+Na"	22.989218
"1611564"	143.031518	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Na"	22.989218
"324880"	132.040547	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+H+Na"	23.996494
"711831"	192.061697	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+H+Na"	23.996494
"1462857"	72.019397	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H+Na"	23.996494
"1056710"	48.34869	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2H+Na"	25.00377
"1260576"	153.075786	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+CH3OH+H"	33.033486
"381340"	279.047758	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+K"	38.963158
"743429"	399.090058	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+K"	38.963158
"1543297"	159.005458	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+K"	38.963158
"305942"	140.027517	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+H+K"	39.970434
"697271"	200.048667	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+H+K"	39.970434
"1452187"	80.006367	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H+K"	39.970434
"239694"	282.118426	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+ACN+H"	42.033826
"1216050"	162.076126	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+ACN+H"	42.033826
"1198110"	81.541701	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+ACN+2H"	43.041102
"193897"	285.05576	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+2Na-H"	44.97116
"631636"	405.09806	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+2Na-H"	44.97116
"1134784"	165.01346	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2Na-H"	44.97116
"179898"	143.031518	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+2Na"	45.978436
"617276"	203.052668	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+2Na"	45.978436
"1127344"	83.010368	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2Na"	45.978436
"1404307"	55.676004	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H+2Na"	46.985712
"1434235"	167.055046	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H+HCOOH"	47.012746
"226120"	148.06454	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+3H2O+2H"	56.04448
"1511993"	181.10709	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+IsoProp+H"	61.06479
"414959"	151.018488	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+Na+K"	61.952376
"777050"	211.039638	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+Na+K"	61.952376
"1670469"	90.997338	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Na+K"	61.952376
"254435"	304.100368	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+ACN+Na"	64.015768
"1230791"	184.058068	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+ACN+Na"	64.015768
"1714937"	184.081593	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+NH4+HCOOH"	64.039293
"1182478"	63.003318	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+3Na"	68.967654
"1652006"	189.036988	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Na+HCOOH"	68.994688
"159230"	317.00364	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+2K-H"	76.91904
"600988"	437.04594	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+2K-H"	76.91904
"1090969"	196.96134	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2K-H"	76.91904
"143774"	159.005458	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"2M+2K"	77.926316
"585158"	219.026608	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"3M+2K"	77.926316
"1071858"	98.984308	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2K"	77.926316
"1109441"	198.975892	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2K+H"	78.933592
"1338897"	199.063507	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+DMSO+H"	79.021207
"1008890"	203.102676	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2ACN+H"	83.060376
"1534678"	204.096308	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+IsoProp+Na+H"	84.054008
"996750"	102.054976	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+2ACN+2H"	84.067652
"1593437"	205.010928	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+K+HCOOH"	84.968628
"1422377"	235.042438	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+H+CF3COOH"	115.000138
"1154856"	122.568251	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+3ACN+2H"	125.094202
"1704407"	252.068985	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+NH4+CF3COOH"	132.026685
"1645524"	257.02438	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+Na+CF3COOH"	136.98208
"1583364"	272.99832	"C01796"	"D-Erythrose"	"C4H8O4"	"120.0423"	"M+K+CF3COOH"	152.95602
"810450"	117.079	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M"	0
"989457"	98.06061	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"71139"	77.0453906666667	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"508510"	116.071724	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"884490"	38.0190573333333	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"6345"	116.071724	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"444451"	174.611224	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"829909"	57.532224	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"84431"	233.150724	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"527272"	350.229724	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"908354"	116.071724	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"55076"	250.177271	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"496824"	367.256271	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"876813"	133.098271	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"44713"	255.132666	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"474795"	372.211666	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"851141"	138.053666	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1620673"	138.053666	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"97202"	134.060063	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"540041"	192.599563	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"930276"	75.520563	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"272112"	269.127402	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"664534"	386.206402	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1275846"	152.048402	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"19497"	271.106606	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"461246"	388.185606	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"833942"	154.027606	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1557796"	154.027606	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"943488"	162.077194	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"361617"	279.156201	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"345907"	293.171851	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1492958"	176.092851	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"958835"	184.059151	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"110214"	152.048402	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"550222"	210.587902	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1021410"	93.508902	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1242454"	195.997885	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1305025"	198.053872	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1322402"	220.035829	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"911800"	230.064586	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1289196"	266.041264	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1367969"	82.066324	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1383272"	100.0763	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"288801"	235.165276	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"676601"	352.244276	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1351858"	118.086276	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"127544"	118.086276	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"565885"	176.625776	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1037357"	59.546776	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"205017"	79.0599426666667	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"645188"	118.086276	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1163440"	40.0336093333333	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"425127"	252.191823	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"786124"	369.270823	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1681846"	135.112823	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"330407"	126.5995495	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"722991"	185.1390495	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1477823"	68.0600495	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"396017"	257.147218	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"761386"	374.226218	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1605111"	140.068218	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"315266"	129.077247	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"711943"	187.616747	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1464669"	70.537747	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1057914"	47.3609233333333	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1260688"	150.112486	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"383637"	273.121158	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"742446"	390.200158	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1544865"	156.042158	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"303864"	137.064217	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"699567"	195.603717	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1453390"	78.524717	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"239440"	276.191826	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1213972"	159.112826	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1199678"	80.060051	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"191819"	279.12916	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"635401"	396.20816	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1135626"	162.05016	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"183295"	140.068218	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"617388"	198.607718	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1124174"	81.528718	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1404417"	54.6882373333333	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1435439"	164.091746	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"231696"	145.10124	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1518664"	178.14379	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"415068"	148.055188	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"777165"	206.594688	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1667052"	89.515688	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"260016"	298.173768	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1231634"	181.094768	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1714683"	181.118293	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1181130"	62.0155513333333	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1652480"	186.073688	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"165917"	311.07704	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"601103"	428.15604	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1091083"	193.99804	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"146803"	156.042158	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"589644"	214.581658	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1071599"	97.502658	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1105178"	196.012592	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1339008"	196.100207	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1018488"	200.139376	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1533693"	201.133008	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"993580"	100.573326	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1596830"	202.047628	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1422490"	232.079138	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1157152"	121.086601	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1704516"	249.105685	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1645634"	254.06108	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1580195"	270.03502	"C01799"	"D-Norvaline;D-2-Aminovaleric acid;D-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"801811"	213.0538	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M"	0
"988106"	194.03541	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-H2O-H"	-19.01839
"71249"	141.028590666667	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M-3H"	-3.021828
"504976"	212.046524	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M-3H"	-3.021828
"884237"	70.0106573333333	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-3H"	-3.021828
"3904"	212.046524	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M-2H"	-2.014552
"450029"	318.573424	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M-2H"	-2.014552
"827832"	105.519624	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-2H"	-2.014552
"86730"	425.100324	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M-H"	-1.007276
"530665"	638.154124	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M-H"	-1.007276
"901907"	212.046524	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-H"	-1.007276
"54094"	442.126871	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M-2H+NH4"	16.019271
"490372"	655.180671	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M-2H+NH4"	16.019271
"872549"	229.073071	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-2H+NH4"	16.019271
"43730"	447.082266	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M-2H+Na"	20.974666
"472720"	660.136066	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M-2H+Na"	20.974666
"848653"	234.028466	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-2H+Na"	20.974666
"1620420"	234.028466	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Na-2H"	20.974666
"96218"	230.034863	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M-H+Cl"	33.962126
"536144"	336.561763	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M-H+Cl"	33.962126
"932575"	123.507963	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-H+Cl"	33.962126
"268944"	461.077002	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+Cl"	34.969402
"661365"	674.130802	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+Cl"	34.969402
"1274861"	248.023202	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Cl"	34.969402
"19607"	463.056206	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M-2H+K"	36.948606
"456979"	676.110006	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M-2H+K"	36.948606
"833078"	250.002406	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-2H+K"	36.948606
"1556447"	250.002406	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+K-2H"	36.948606
"942814"	258.051994	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-H+HCOOH"	44.998194
"361441"	471.105801	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+HCOOH-H"	44.998201
"345719"	485.121451	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+Hac-H"	59.013851
"1492904"	272.067651	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Hac-H"	59.013851
"959032"	280.033951	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-H+NaCOOH"	66.980151
"110737"	248.023202	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+2Cl"	69.938804
"550173"	354.550102	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+2Cl"	69.938804
"1021643"	141.496302	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2Cl"	69.938804
"1242322"	291.972685	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Br"	78.918885
"1305377"	294.028672	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Cl+HCOOH"	80.974872
"1321052"	316.010629	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Cl+NaCOOH"	102.956829
"911660"	326.039386	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M-H+CF3COOH"	112.985586
"1288895"	362.016064	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Cl+CF3COOH"	148.962264
"1367836"	178.041124	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H-2H2O"	-35.012676
"1385942"	196.0511	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H-H2O"	-17.0027
"287818"	427.114876	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+H"	1.007276
"677325"	640.168676	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+H"	1.007276
"1351970"	214.061076	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H"	1.007276
"126560"	214.061076	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+2H"	2.014552
"566117"	320.587976	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+2H"	2.014552
"1038200"	107.534176	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2H"	2.014552
"206829"	143.043142666667	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+3H"	3.021828
"644298"	214.061076	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+3H"	3.021828
"1164887"	72.0252093333333	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+3H"	3.021828
"424346"	444.141423	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+NH4"	18.033823
"786234"	657.195223	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+NH4"	18.033823
"1682926"	231.087623	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+NH4"	18.033823
"333392"	222.5743495	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+H+NH4"	19.041099
"725817"	329.1012495	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+H+NH4"	19.041099
"1478906"	116.0474495	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H+NH4"	19.041099
"399408"	449.096818	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+Na"	22.989218
"755905"	662.150618	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+Na"	22.989218
"1603152"	236.043018	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Na"	22.989218
"318538"	225.052047	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+H+Na"	23.996494
"716427"	331.578947	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+H+Na"	23.996494
"1465873"	118.525147	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H+Na"	23.996494
"1059117"	79.3525233333333	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2H+Na"	25.00377
"1261891"	246.087286	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+CH3OH+H"	33.033486
"387028"	465.070758	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+K"	38.963158
"744743"	678.124558	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+K"	38.963158
"1544976"	252.016958	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+K"	38.963158
"307257"	233.039017	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+H+K"	39.970434
"699680"	339.565917	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+H+K"	39.970434
"1454594"	126.512117	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H+K"	39.970434
"242103"	468.141426	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+ACN+H"	42.033826
"1215905"	255.087626	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+ACN+H"	42.033826
"1199788"	128.047451	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+ACN+2H"	43.041102
"190837"	471.07876	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+2Na-H"	44.97116
"634418"	684.13256	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+2Na-H"	44.97116
"1135736"	258.02496	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2Na-H"	44.97116
"182312"	236.043018	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+2Na"	45.978436
"617498"	342.569918	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+2Na"	45.978436
"1123191"	129.516118	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2Na"	45.978436
"1402340"	86.6798373333333	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H+2Na"	46.985712
"1433361"	260.066546	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H+HCOOH"	47.012746
"225242"	241.07604	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+3H2O+2H"	56.04448
"1514398"	274.11859	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+IsoProp+H"	61.06479
"417365"	244.029988	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+Na+K"	61.952376
"777275"	350.556888	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+Na+K"	61.952376
"1667041"	137.503088	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Na+K"	61.952376
"253563"	490.123368	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+ACN+Na"	64.015768
"1229192"	277.069568	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+ACN+Na"	64.015768
"1715522"	277.093093	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+NH4+HCOOH"	64.039293
"1181239"	94.0071513333333	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+3Na"	68.967654
"1652590"	282.048488	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Na+HCOOH"	68.994688
"166026"	503.02664	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+2K-H"	76.91904
"603400"	716.08044	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+2K-H"	76.91904
"1092286"	289.97284	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2K-H"	76.91904
"146913"	252.016958	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"2M+2K"	77.926316
"589754"	358.543858	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"3M+2K"	77.926316
"1070618"	145.490058	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2K"	77.926316
"1104195"	291.987392	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2K+H"	78.933592
"1338025"	292.075007	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+DMSO+H"	79.021207
"1018961"	296.114176	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2ACN+H"	83.060376
"1537084"	297.107808	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+IsoProp+Na+H"	84.054008
"1002439"	148.560726	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+2ACN+2H"	84.067652
"1596942"	298.022428	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+K+HCOOH"	84.968628
"1423695"	328.053938	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+H+CF3COOH"	115.000138
"1159449"	169.074001	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+3ACN+2H"	125.094202
"1704625"	345.080485	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+NH4+CF3COOH"	132.026685
"1645745"	350.03588	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+Na+CF3COOH"	136.98208
"1580305"	366.00982	"C01800"	"Deazaflavin;5-Deazaflavin"	"C11H7N3O2"	"213.0538"	"M+K+CF3COOH"	152.95602
"801921"	134.0579	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M"	0
"987487"	115.03951	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-H2O-H"	-19.01839
"71356"	88.3646573333333	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M-3H"	-3.021828
"503993"	133.050624	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M-3H"	-3.021828
"884347"	43.6786906666667	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-3H"	-3.021828
"3286"	133.050624	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M-2H"	-2.014552
"442848"	200.079574	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M-2H"	-2.014552
"822474"	66.021674	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-2H"	-2.014552
"83559"	267.108524	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M-H"	-1.007276
"520932"	401.166424	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M-H"	-1.007276
"902015"	133.050624	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-H"	-1.007276
"48005"	284.135071	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M-2H+NH4"	16.019271
"487929"	418.192971	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M-2H+NH4"	16.019271
"872659"	150.077171	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-2H+NH4"	16.019271
"39469"	289.090466	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M-2H+Na"	20.974666
"474654"	423.148366	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M-2H+Na"	20.974666
"849539"	155.032566	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-2H+Na"	20.974666
"1618566"	155.032566	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Na-2H"	20.974666
"99609"	151.038963	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M-H+Cl"	33.962126
"538077"	218.067913	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M-H+Cl"	33.962126
"934872"	84.010013	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-H+Cl"	33.962126
"271242"	303.085202	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+Cl"	34.969402
"662570"	437.143102	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+Cl"	34.969402
"1273879"	169.027302	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Cl"	34.969402
"18623"	305.064406	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M-2H+K"	36.948606
"456034"	439.122306	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M-2H+K"	36.948606
"833350"	171.006506	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-2H+K"	36.948606
"1555675"	171.006506	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+K-2H"	36.948606
"944438"	179.056094	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-H+HCOOH"	44.998194
"362653"	313.114001	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+HCOOH-H"	44.998201
"347631"	327.129651	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+Hac-H"	59.013851
"1496099"	193.071751	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Hac-H"	59.013851
"961820"	201.038051	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-H+NaCOOH"	66.980151
"112549"	169.027302	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+2Cl"	69.938804
"551744"	236.056252	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+2Cl"	69.938804
"1024920"	101.998352	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2Cl"	69.938804
"1243406"	212.976785	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Br"	78.918885
"1304637"	215.032772	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Cl+HCOOH"	80.974872
"1328089"	237.014729	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Cl+NaCOOH"	102.956829
"920242"	247.043486	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M-H+CF3COOH"	112.985586
"1290388"	283.020164	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Cl+CF3COOH"	148.962264
"1367780"	99.045224	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H-2H2O"	-35.012676
"1383735"	117.0552	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H-H2O"	-17.0027
"283787"	269.123076	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+H"	1.007276
"676574"	403.180976	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+H"	1.007276
"1352316"	135.065176	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H"	1.007276
"126298"	135.065176	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+2H"	2.014552
"566469"	202.094126	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+2H"	2.014552
"1038185"	68.036226	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2H"	2.014552
"205235"	90.3792093333333	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+3H"	3.021828
"644677"	135.065176	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+3H"	3.021828
"1164633"	45.6932426666667	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+3H"	3.021828
"424983"	286.149623	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+NH4"	18.033823
"787074"	420.207523	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+NH4"	18.033823
"1683402"	152.091723	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+NH4"	18.033823
"332409"	143.5784495	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+H+NH4"	19.041099
"729209"	210.6073995	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+H+NH4"	19.041099
"1480839"	76.5494995	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H+NH4"	19.041099
"399518"	291.105018	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+Na"	22.989218
"759419"	425.162918	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+Na"	22.989218
"1606425"	157.047118	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Na"	22.989218
"321929"	146.056147	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+H+Na"	23.996494
"717631"	213.085097	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+H+Na"	23.996494
"1471450"	79.027197	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H+Na"	23.996494
"1059229"	53.0205566666667	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2H+Na"	25.00377
"1267835"	167.091386	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+CH3OH+H"	33.033486
"390055"	307.078958	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+K"	38.963158
"751414"	441.136858	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+K"	38.963158
"1554565"	173.021058	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+K"	38.963158
"309554"	154.043117	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+H+K"	39.970434
"703071"	221.072067	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+H+K"	39.970434
"1460863"	87.014167	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H+K"	39.970434
"243305"	310.149626	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+ACN+H"	42.033826
"1219293"	176.091726	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+ACN+H"	42.033826
"1200990"	88.549501	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+ACN+2H"	43.041102
"196048"	313.08696	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+2Na-H"	44.97116
"635609"	447.14486	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+2Na-H"	44.97116
"1135479"	179.02906	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2Na-H"	44.97116
"180229"	157.047118	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+2Na"	45.978436
"621975"	224.076068	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+2Na"	45.978436
"1117828"	90.018168	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2Na"	45.978436
"1407912"	60.3478706666667	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H+2Na"	46.985712
"1438208"	181.070646	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H+HCOOH"	47.012746
"230819"	162.08014	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+3H2O+2H"	56.04448
"1519976"	195.12269	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+IsoProp+H"	61.06479
"417476"	165.034088	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+Na+K"	61.952376
"781388"	232.063038	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+Na+K"	61.952376
"1670430"	98.005138	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Na+K"	61.952376
"260230"	332.131568	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+ACN+Na"	64.015768
"1227111"	198.073668	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+ACN+Na"	64.015768
"1713565"	198.097193	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+NH4+HCOOH"	64.039293
"1181350"	67.6751846666667	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+3Na"	68.967654
"1654158"	203.052588	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Na+HCOOH"	68.994688
"158470"	345.03484	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+2K-H"	76.91904
"598513"	479.09274	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+2K-H"	76.91904
"1088014"	210.97694	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2K-H"	76.91904
"146285"	173.021058	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"2M+2K"	77.926316
"584754"	240.050008	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"3M+2K"	77.926316
"1075463"	105.992108	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2K"	77.926316
"1102843"	212.991492	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2K+H"	78.933592
"1338493"	213.079107	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+DMSO+H"	79.021207
"1009212"	217.118276	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2ACN+H"	83.060376
"1535004"	218.111908	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+IsoProp+Na+H"	84.054008
"1002548"	109.062776	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+2ACN+2H"	84.067652
"1595957"	219.026528	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+K+HCOOH"	84.968628
"1420523"	249.058038	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+H+CF3COOH"	115.000138
"1154091"	129.576051	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+3ACN+2H"	125.094202
"1700361"	266.084585	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+NH4+CF3COOH"	132.026685
"1645855"	271.03998	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+Na+CF3COOH"	136.98208
"1580415"	287.01392	"C01801"	"Deoxyribose;2-Deoxy-D-erythro-pentose;Thyminose;2-Deoxy-D-ribose"	"C5H10O4"	"134.0579"	"M+K+CF3COOH"	152.95602
"804217"	384.3392	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M"	0
"989696"	365.32081	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"73652"	255.218857333333	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"505562"	383.331924	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"884457"	127.105790666667	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"3396"	383.331924	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"443687"	575.501524	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"822584"	191.162324	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"84762"	767.671124	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"522135"	1152.010324	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"902125"	383.331924	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"48358"	784.697671	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"488890"	1169.036871	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"872769"	400.358471	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"40672"	789.653066	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"474764"	1173.992266	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"850378"	405.313866	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1619909"	405.313866	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"101905"	401.320263	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"539280"	593.489863	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"934982"	209.150663	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"274631"	803.647802	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"664866"	1187.987002	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1275082"	419.308602	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"19825"	805.627006	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"456103"	1189.966206	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"833179"	421.287806	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1555771"	421.287806	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"944548"	429.337394	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"362762"	813.676601	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"352844"	827.692251	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1500584"	443.353051	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"961929"	451.319351	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"113024"	419.308602	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"551125"	611.478202	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1025029"	227.139002	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1242542"	463.258085	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1308880"	465.314072	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1327106"	487.296029	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"920352"	497.324786	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1290497"	533.301464	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1367048"	349.326524	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1383117"	367.3365	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"282912"	769.685676	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"675687"	1154.024876	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1351360"	385.346476	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H"	1.007276
"125808"	385.346476	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"565678"	577.516076	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1037692"	193.176876	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"204324"	257.233409333333	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"644913"	385.346476	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1164743"	129.120342666667	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"425219"	786.712223	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"787544"	1171.051423	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1683143"	402.373023	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"332151"	393.8597495	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"724942"	586.0293495	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1478394"	201.6901495	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"396711"	791.667618	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"757706"	1176.006818	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1604225"	407.328418	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"318760"	396.337447	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"714461"	588.507047	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1468280"	204.167847	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1059338"	136.447656666667	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1263205"	417.372686	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"387250"	807.641558	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"749338"	1191.980758	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1553579"	423.302358	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K"	38.963158
"310758"	404.324417	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"704638"	596.494017	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1455905"	212.154817	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"242321"	810.712226	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1217217"	426.373026	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1197818"	213.690151	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"191784"	813.64956	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"630618"	1197.98876	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1134862"	429.31036	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"180338"	407.328418	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"619898"	599.498018	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1117209"	215.158818	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1405834"	143.774970666667	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1439044"	431.351946	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"229834"	412.36144	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1518625"	445.40399	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"418678"	415.315388	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"780764"	607.484988	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1670172"	223.145788	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"257059"	832.694168	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1225879"	448.354968	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1712805"	448.378493	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1178944"	151.102284666667	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1650986"	453.333888	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"159309"	845.59744	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"597405"	1229.93664	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1088124"	461.25824	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"144207"	423.302358	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"584134"	615.471958	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1072294"	231.132758	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1102224"	463.272792	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1337509"	463.360407	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1007499"	467.399576	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1536206"	468.393208	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"1001564"	234.203426	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1594973"	469.307828	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1417353"	499.339338	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1154201"	254.716701	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1698284"	516.365885	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1642685"	521.32128	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1580525"	537.29522	"C01802"	"Desmosterol;24-Dehydrocholesterol;Cholesta-524-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"801680"	304.1648	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M"	0
"988801"	285.14641	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-H2O-H"	-19.01839
"78138"	201.769257333333	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M-3H"	-3.021828
"514420"	303.157524	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M-3H"	-3.021828
"891129"	100.380990666667	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-3H"	-3.021828
"11890"	303.157524	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M-2H"	-2.014552
"452547"	455.239924	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M-2H"	-2.014552
"828163"	151.075124	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-2H"	-2.014552
"87060"	607.322324	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M-H"	-1.007276
"529901"	911.487124	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M-H"	-1.007276
"905515"	303.157524	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-H"	-1.007276
"55517"	624.348871	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M-2H+NH4"	16.019271
"495077"	928.513671	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M-2H+NH4"	16.019271
"872879"	320.184071	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-2H+NH4"	16.019271
"41875"	629.304266	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M-2H+Na"	20.974666
"478154"	933.469066	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M-2H+Na"	20.974666
"852675"	325.139466	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-2H+Na"	20.974666
"1621113"	325.139466	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Na-2H"	20.974666
"100922"	321.145863	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M-H+Cl"	33.962126
"543765"	473.228263	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M-H+Cl"	33.962126
"936186"	169.063463	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-H+Cl"	33.962126
"273648"	643.299002	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+Cl"	34.969402
"664976"	947.463802	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+Cl"	34.969402
"1276286"	339.134202	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Cl"	34.969402
"18842"	645.278206	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M-2H+K"	36.948606
"456092"	949.443006	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M-2H+K"	36.948606
"833777"	341.113406	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-2H+K"	36.948606
"1556780"	341.113406	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+K-2H"	36.948606
"945389"	349.162994	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-H+HCOOH"	44.998194
"362874"	653.327801	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+HCOOH-H"	44.998201
"346755"	667.343451	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+Hac-H"	59.013851
"1496319"	363.178651	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Hac-H"	59.013851
"960947"	371.144951	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-H+NaCOOH"	66.980151
"114227"	339.134202	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+2Cl"	69.938804
"552694"	491.216602	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+2Cl"	69.938804
"1025139"	187.051802	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2Cl"	69.938804
"1247998"	383.083685	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Br"	78.918885
"1310812"	385.139672	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Cl+HCOOH"	80.974872
"1327216"	407.121629	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Cl+NaCOOH"	102.956829
"919369"	417.150386	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M-H+CF3COOH"	112.985586
"1290607"	453.127064	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Cl+CF3COOH"	148.962264
"1367471"	269.152124	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H-2H2O"	-35.012676
"1383715"	287.1621	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H-H2O"	-17.0027
"282991"	609.336876	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+H"	1.007276
"675819"	913.501676	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+H"	1.007276
"1351806"	305.172076	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H"	1.007276
"125829"	305.172076	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+2H"	2.014552
"565880"	457.254476	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+2H"	2.014552
"1037194"	153.089676	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2H"	2.014552
"204724"	203.783809333333	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+3H"	3.021828
"645024"	305.172076	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+3H"	3.021828
"1167040"	102.395542666667	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+3H"	3.021828
"428126"	626.363423	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+NH4"	18.033823
"785712"	930.528223	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+NH4"	18.033823
"1681560"	322.198623	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+NH4"	18.033823
"331533"	313.6853495	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+H+NH4"	19.041099
"723959"	465.7677495	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+H+NH4"	19.041099
"1477535"	161.6029495	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H+NH4"	19.041099
"393905"	631.318818	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+Na"	22.989218
"757817"	935.483618	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+Na"	22.989218
"1605188"	327.154018	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Na"	22.989218
"318870"	316.163047	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+H+Na"	23.996494
"715664"	468.245447	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+H+Na"	23.996494
"1468390"	164.080647	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H+Na"	23.996494
"1060542"	109.722856666667	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2H+Na"	25.00377
"1262222"	337.198286	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+CH3OH+H"	33.033486
"388454"	647.292758	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+K"	38.963158
"749448"	951.457558	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+K"	38.963158
"1553689"	343.127958	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+K"	38.963158
"310867"	324.150017	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+H+K"	39.970434
"705113"	476.232417	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+H+K"	39.970434
"1459663"	172.067617	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H+K"	39.970434
"243524"	650.363426	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+ACN+H"	42.033826
"1219513"	346.198626	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+ACN+H"	42.033826
"1200116"	173.602951	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+ACN+2H"	43.041102
"190798"	653.30076	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+2Na-H"	44.97116
"630360"	957.46556	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+2Na-H"	44.97116
"1138251"	349.13596	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2Na-H"	44.97116
"180448"	327.154018	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+2Na"	45.978436
"620008"	479.236418	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+2Na"	45.978436
"1125701"	175.071618	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2Na"	45.978436
"1405944"	117.050170666667	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H+2Na"	46.985712
"1433687"	351.177546	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H+HCOOH"	47.012746
"227756"	332.18704	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+3H2O+2H"	56.04448
"1516914"	365.22959	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+IsoProp+H"	61.06479
"415508"	335.140988	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+Na+K"	61.952376
"778322"	487.223388	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+Na+K"	61.952376
"1673927"	183.058588	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Na+K"	61.952376
"256076"	672.345368	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+ACN+Na"	64.015768
"1226111"	368.180568	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+ACN+Na"	64.015768
"1712775"	368.204093	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+NH4+HCOOH"	64.039293
"1178568"	124.377484666667	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+3Na"	68.967654
"1650733"	373.159488	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Na+HCOOH"	68.994688
"157960"	685.24864	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+2K-H"	76.91904
"597880"	989.41344	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+2K-H"	76.91904
"1087869"	381.08384	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2K-H"	76.91904
"143224"	343.127958	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"2M+2K"	77.926316
"583273"	495.210358	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"3M+2K"	77.926316
"1071311"	191.045558	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2K"	77.926316
"1102699"	383.098392	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2K+H"	78.933592
"1337619"	383.186007	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+DMSO+H"	79.021207
"1007244"	387.225176	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2ACN+H"	83.060376
"1530850"	388.218808	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+IsoProp+Na+H"	84.054008
"1002769"	194.116226	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+2ACN+2H"	84.067652
"1597271"	389.133428	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+K+HCOOH"	84.968628
"1424023"	419.164938	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+H+CF3COOH"	115.000138
"1154311"	214.629501	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+3ACN+2H"	125.094202
"1697665"	436.191485	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+NH4+CF3COOH"	132.026685
"1646075"	441.14688	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+Na+CF3COOH"	136.98208
"1580635"	457.12082	"C01804"	"Discadenine;3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine"	"C14H20N6O2"	"304.1648"	"M+K+CF3COOH"	152.95602
"801478"	538.9678	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M"	0
"987087"	519.94941	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-H2O-H"	-19.01839
"72779"	358.304590666667	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M-3H"	-3.021828
"513434"	537.960524	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M-3H"	-3.021828
"893423"	178.648657333333	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-3H"	-3.021828
"12001"	537.960524	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M-2H"	-2.014552
"450469"	807.444424	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M-2H"	-2.014552
"826086"	268.476624	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-2H"	-2.014552
"87170"	1076.928324	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M-H"	-1.007276
"530011"	1615.896124	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M-H"	-1.007276
"902345"	537.960524	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-H"	-1.007276
"54534"	1093.954871	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M-2H+NH4"	16.019271
"495187"	1632.922671	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M-2H+NH4"	16.019271
"872989"	554.987071	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-2H+NH4"	16.019271
"38705"	1098.910266	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M-2H+Na"	20.974666
"474983"	1637.878066	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M-2H+Na"	20.974666
"849868"	559.942466	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-2H+Na"	20.974666
"1620130"	559.942466	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Na-2H"	20.974666
"98845"	555.948863	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M-H+Cl"	33.962126
"537313"	825.432763	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M-H+Cl"	33.962126
"936296"	286.464963	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-H+Cl"	33.962126
"272665"	1112.905002	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+Cl"	34.969402
"663993"	1651.872802	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+Cl"	34.969402
"1275303"	573.937202	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Cl"	34.969402
"18952"	1114.884206	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M-2H+K"	36.948606
"456280"	1653.852006	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M-2H+K"	36.948606
"833523"	575.916406	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-2H+K"	36.948606
"1556890"	575.916406	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+K-2H"	36.948606
"943312"	583.965994	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-H+HCOOH"	44.998194
"363712"	1122.933801	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+HCOOH-H"	44.998201
"347593"	1136.949451	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+Hac-H"	59.013851
"1498616"	597.981651	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Hac-H"	59.013851
"961785"	605.947951	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-H+NaCOOH"	66.980151
"114337"	573.937202	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+2Cl"	69.938804
"552804"	843.421102	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+2Cl"	69.938804
"1026708"	304.453302	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2Cl"	69.938804
"1247380"	617.886685	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Br"	78.918885
"1310922"	619.942672	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Cl+HCOOH"	80.974872
"1329513"	641.924629	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Cl+NaCOOH"	102.956829
"921666"	651.953386	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M-H+CF3COOH"	112.985586
"1297279"	687.930064	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Cl+CF3COOH"	148.962264
"1369245"	503.955124	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H-2H2O"	-35.012676
"1384189"	521.9651	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H-H2O"	-17.0027
"284242"	1078.942876	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+H"	1.007276
"675931"	1617.910676	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+H"	1.007276
"1352041"	539.975076	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H"	1.007276
"126387"	539.975076	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+2H"	2.014552
"566111"	809.458976	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+2H"	2.014552
"1037821"	270.491176	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2H"	2.014552
"204955"	360.319142666667	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+3H"	3.021828
"644322"	539.975076	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+3H"	3.021828
"1166056"	180.663209333333	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+3H"	3.021828
"424273"	1095.969423	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+NH4"	18.033823
"786068"	1634.937223	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+NH4"	18.033823
"1681420"	557.001623	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+NH4"	18.033823
"330466"	548.4883495	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+H+NH4"	19.041099
"724190"	817.9722495	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+H+NH4"	19.041099
"1477439"	279.0044495	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H+NH4"	19.041099
"393236"	1100.924818	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+Na"	22.989218
"754524"	1639.892618	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+Na"	22.989218
"1602946"	561.957018	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Na"	22.989218
"316063"	550.966047	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+H+Na"	23.996494
"709577"	820.449947	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+H+Na"	23.996494
"1462181"	281.482147	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H+Na"	23.996494
"1057374"	187.990523333333	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2H+Na"	25.00377
"1260146"	572.001286	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+CH3OH+H"	33.033486
"386376"	1116.898758	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+K"	38.963158
"748465"	1655.866558	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+K"	38.963158
"1546146"	577.930958	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+K"	38.963158
"310249"	558.953017	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+H+K"	39.970434
"700118"	828.436917	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+H+K"	39.970434
"1456491"	289.469117	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H+K"	39.970434
"242542"	1119.969426	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+ACN+H"	42.033826
"1214157"	581.001626	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+ACN+H"	42.033826
"1196216"	291.004451	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+ACN+2H"	43.041102
"189935"	1122.90676	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+2Na-H"	44.97116
"629740"	1661.87456	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+2Na-H"	44.97116
"1138359"	583.93896	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2Na-H"	44.97116
"177277"	561.957018	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+2Na"	45.978436
"620118"	831.440918	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+2Na"	45.978436
"1123625"	292.473118	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2Na"	45.978436
"1408242"	195.317837333333	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H+2Na"	46.985712
"1437077"	585.980546	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H+HCOOH"	47.012746
"227866"	566.99004	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+3H2O+2H"	56.04448
"1518117"	600.03259	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+IsoProp+H"	61.06479
"417805"	569.943988	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+Na+K"	61.952376
"778798"	839.427888	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+Na+K"	61.952376
"1672944"	300.460088	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Na+K"	61.952376
"255094"	1141.951368	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+ACN+Na"	64.015768
"1226101"	602.983568	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+ACN+Na"	64.015768
"1716326"	603.007093	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+NH4+HCOOH"	64.039293
"1179979"	202.645151333333	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+3Na"	68.967654
"1650843"	607.962488	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Na+HCOOH"	68.994688
"157340"	1154.85464	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+2K-H"	76.91904
"597302"	1693.82244	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+2K-H"	76.91904
"1087251"	615.88684	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2K-H"	76.91904
"142607"	577.930958	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"2M+2K"	77.926316
"582169"	847.414858	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"3M+2K"	77.926316
"1071421"	308.447058	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2K"	77.926316
"1102079"	617.901392	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2K+H"	78.933592
"1336272"	617.989007	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+DMSO+H"	79.021207
"1006991"	622.028176	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2ACN+H"	83.060376
"1534240"	623.021808	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+IsoProp+Na+H"	84.054008
"1002515"	311.517726	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+2ACN+2H"	84.067652
"1599568"	623.936428	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+K+HCOOH"	84.968628
"1424133"	653.967938	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+H+CF3COOH"	115.000138
"1151141"	332.031001	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+3ACN+2H"	125.094202
"1697775"	670.994485	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+NH4+CF3COOH"	132.026685
"1646185"	675.94988	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+Na+CF3COOH"	136.98208
"1580745"	691.92382	"C01806"	"GTP-gamma-S"	"C10H16N5O13P3S"	"538.9678"	"M+K+CF3COOH"	152.95602
"810130"	375.1401	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M"	0
"981475"	356.12171	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-H2O-H"	-19.01839
"77011"	249.086124	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M-3H"	-3.021828
"514750"	374.132824	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M-3H"	-3.021828
"892552"	124.039424	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-3H"	-3.021828
"4567"	374.132824	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M-2H"	-2.014552
"449598"	561.702874	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M-2H"	-2.014552
"827401"	186.562774	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-2H"	-2.014552
"88487"	749.272924	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M-H"	-1.007276
"526952"	1124.413024	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M-H"	-1.007276
"902567"	374.132824	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-H"	-1.007276
"49286"	766.299471	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M-2H+NH4"	16.019271
"497230"	1141.439571	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M-2H+NH4"	16.019271
"876493"	391.159371	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-2H+NH4"	16.019271
"41113"	771.254866	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M-2H+Na"	20.974666
"473016"	1146.394966	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M-2H+Na"	20.974666
"853006"	396.114766	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-2H+Na"	20.974666
"1623634"	396.114766	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Na-2H"	20.974666
"102349"	392.121163	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M-H+Cl"	33.962126
"540817"	579.691213	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M-H+Cl"	33.962126
"937248"	204.551113	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-H+Cl"	33.962126
"278355"	785.249602	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+Cl"	34.969402
"662759"	1160.389702	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+Cl"	34.969402
"1273456"	410.109502	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Cl"	34.969402
"17228"	787.228806	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M-2H+K"	36.948606
"456909"	1162.368906	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M-2H+K"	36.948606
"833498"	412.088706	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-2H+K"	36.948606
"1556254"	412.088706	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+K-2H"	36.948606
"943650"	420.138294	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-H+HCOOH"	44.998194
"363931"	795.278401	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+HCOOH-H"	44.998201
"348909"	809.294051	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+Hac-H"	59.013851
"1499930"	434.153951	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Hac-H"	59.013851
"961277"	442.120251	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-H+NaCOOH"	66.980151
"116380"	410.109502	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+2Cl"	69.938804
"553025"	597.679552	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+2Cl"	69.938804
"1025106"	222.539452	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2Cl"	69.938804
"1242862"	454.058985	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Br"	78.918885
"1308955"	456.114972	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Cl+HCOOH"	80.974872
"1327547"	478.096929	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Cl+NaCOOH"	102.956829
"918605"	488.125686	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M-H+CF3COOH"	112.985586
"1295312"	524.102364	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Cl+CF3COOH"	148.962264
"1368376"	340.127424	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H-2H2O"	-35.012676
"1383443"	358.1374	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H-H2O"	-17.0027
"284466"	751.287476	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+H"	1.007276
"686003"	1126.427576	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+H"	1.007276
"1355062"	376.147376	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H"	1.007276
"127581"	376.147376	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+2H"	2.014552
"569700"	563.717426	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+2H"	2.014552
"1040688"	188.577326	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2H"	2.014552
"211873"	251.100676	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+3H"	3.021828
"649246"	376.147376	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+3H"	3.021828
"1163356"	126.053976	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+3H"	3.021828
"425539"	768.314023	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+NH4"	18.033823
"786529"	1143.454123	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+NH4"	18.033823
"1681886"	393.173923	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+NH4"	18.033823
"330773"	384.6606495	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+H+NH4"	19.041099
"725382"	572.2306995	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+H+NH4"	19.041099
"1478104"	197.0905995	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H+NH4"	19.041099
"393870"	773.269418	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+Na"	22.989218
"758879"	1148.409518	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+Na"	22.989218
"1603815"	398.129318	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Na"	22.989218
"318470"	387.138347	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+H+Na"	23.996494
"712714"	574.708397	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+H+Na"	23.996494
"1465075"	199.568297	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H+Na"	23.996494
"1056135"	133.38129	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2H+Na"	25.00377
"1262553"	408.173586	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+CH3OH+H"	33.033486
"385505"	789.243358	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+K"	38.963158
"746500"	1164.383458	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+K"	38.963158
"1543088"	414.103258	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+K"	38.963158
"303542"	395.125317	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+H+K"	39.970434
"695964"	582.695367	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+H+K"	39.970434
"1447234"	207.555267	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H+K"	39.970434
"237659"	792.314026	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+ACN+H"	42.033826
"1212191"	417.173926	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+ACN+H"	42.033826
"1195704"	209.090601	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+ACN+2H"	43.041102
"195512"	795.25136	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+2Na-H"	44.97116
"629973"	1170.39146	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+2Na-H"	44.97116
"1139676"	420.11126	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2Na-H"	44.97116
"184062"	398.129318	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+2Na"	45.978436
"613901"	585.699368	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+2Na"	45.978436
"1117285"	210.559268	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2Na"	45.978436
"1408464"	140.708604	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H+2Na"	46.985712
"1435113"	422.152846	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H+HCOOH"	47.012746
"226992"	403.16234	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+3H2O+2H"	56.04448
"1517241"	436.20489	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+IsoProp+H"	61.06479
"414747"	406.116288	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+Na+K"	61.952376
"779026"	593.686338	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+Na+K"	61.952376
"1673176"	218.546238	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Na+K"	61.952376
"255683"	814.295968	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+ACN+Na"	64.015768
"1228392"	439.155868	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+ACN+Na"	64.015768
"1716912"	439.179393	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+NH4+HCOOH"	64.039293
"1179719"	148.035918	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+3Na"	68.967654
"1651793"	444.134788	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Na+HCOOH"	68.994688
"158661"	827.19924	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+2K-H"	76.91904
"599678"	1202.33934	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+2K-H"	76.91904
"1087475"	452.05914	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2K-H"	76.91904
"143922"	414.103258	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"2M+2K"	77.926316
"582752"	601.673308	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"3M+2K"	77.926316
"1072735"	226.533208	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2K"	77.926316
"1101688"	454.073692	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2K+H"	78.933592
"1338319"	454.161307	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+DMSO+H"	79.021207
"1006366"	458.200476	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2ACN+H"	83.060376
"1533373"	459.194108	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+IsoProp+Na+H"	84.054008
"996541"	229.603876	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+2ACN+2H"	84.067652
"1598698"	460.108728	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+K+HCOOH"	84.968628
"1425450"	490.140238	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+H+CF3COOH"	115.000138
"1161205"	250.117151	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+3ACN+2H"	125.094202
"1712419"	507.166785	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+NH4+CF3COOH"	132.026685
"1643127"	512.12218	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+Na+CF3COOH"	136.98208
"1580967"	528.09612	"C01814"	"Haloperidol"	"C21H23ClFNO2"	"375.1401"	"M+K+CF3COOH"	152.95602
"811333"	240.2817	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M"	0
"981585"	221.26331	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-H2O-H"	-19.01839
"78134"	159.180524	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M-3H"	-3.021828
"511580"	239.274424	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M-3H"	-3.021828
"889383"	79.086624	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-3H"	-3.021828
"6864"	239.274424	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M-2H"	-2.014552
"449708"	359.415274	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M-2H"	-2.014552
"828604"	119.133574	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-2H"	-2.014552
"90783"	479.556124	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M-H"	-1.007276
"527062"	719.837824	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M-H"	-1.007276
"902677"	239.274424	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-H"	-1.007276
"50490"	496.582671	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M-2H+NH4"	16.019271
"493332"	736.864371	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M-2H+NH4"	16.019271
"873325"	256.300971	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-2H+NH4"	16.019271
"41224"	501.538066	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M-2H+Na"	20.974666
"475312"	741.819766	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M-2H+Na"	20.974666
"855302"	261.256366	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-2H+Na"	20.974666
"1624837"	261.256366	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Na-2H"	20.974666
"102459"	257.262763	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M-H+Cl"	33.962126
"542019"	377.403613	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M-H+Cl"	33.962126
"935535"	137.121913	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-H+Cl"	33.962126
"278462"	515.532802	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+Cl"	34.969402
"662504"	755.814502	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+Cl"	34.969402
"1273840"	275.251102	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Cl"	34.969402
"16486"	517.512006	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M-2H+K"	36.948606
"456167"	757.793706	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M-2H+K"	36.948606
"833729"	277.230306	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-2H+K"	36.948606
"1557335"	277.230306	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+K-2H"	36.948606
"944730"	285.279894	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-H+HCOOH"	44.998194
"363675"	525.561601	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+HCOOH-H"	44.998201
"353396"	539.577251	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+Hac-H"	59.013851
"1498947"	299.295551	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Hac-H"	59.013851
"961388"	307.261851	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-H+NaCOOH"	66.980151
"115398"	275.251102	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+2Cl"	69.938804
"553500"	395.391952	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+2Cl"	69.938804
"1023393"	155.110252	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2Cl"	69.938804
"1244795"	319.200585	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Br"	78.918885
"1311253"	321.256572	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Cl+HCOOH"	80.974872
"1327657"	343.238529	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Cl+NaCOOH"	102.956829
"917622"	353.267286	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M-H+CF3COOH"	112.985586
"1294329"	389.243964	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Cl+CF3COOH"	148.962264
"1369216"	205.269024	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H-2H2O"	-35.012676
"1383429"	223.279	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H-H2O"	-17.0027
"284212"	481.570676	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+H"	1.007276
"683197"	721.852376	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+H"	1.007276
"1353713"	241.288976	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H"	1.007276
"129517"	241.288976	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+2H"	2.014552
"570170"	361.429826	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+2H"	2.014552
"1041890"	121.148126	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2H"	2.014552
"211983"	161.195076	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+3H"	3.021828
"649356"	241.288976	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+3H"	3.021828
"1163222"	81.101176	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+3H"	3.021828
"424556"	498.597223	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+NH4"	18.033823
"786882"	738.878923	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+NH4"	18.033823
"1681875"	258.315523	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+NH4"	18.033823
"330639"	249.8022495	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+H+NH4"	19.041099
"725128"	369.9430995	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+H+NH4"	19.041099
"1478218"	129.6613995	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H+NH4"	19.041099
"399086"	503.552618	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+Na"	22.989218
"762269"	743.834318	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+Na"	22.989218
"1605264"	263.270918	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Na"	22.989218
"321496"	252.279947	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+H+Na"	23.996494
"711731"	372.420797	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+H+Na"	23.996494
"1465915"	132.139097	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H+Na"	23.996494
"1057703"	88.42849	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2H+Na"	25.00377
"1260476"	273.315186	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+CH3OH+H"	33.033486
"385615"	519.526558	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+K"	38.963158
"746610"	759.808258	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+K"	38.963158
"1543926"	279.244858	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+K"	38.963158
"304016"	260.266917	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+H+K"	39.970434
"695344"	380.407767	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+H+K"	39.970434
"1447342"	140.126067	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H+K"	39.970434
"238130"	522.597226	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+ACN+H"	42.033826
"1212301"	282.315526	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+ACN+H"	42.033826
"1196543"	141.661401	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+ACN+2H"	43.041102
"193436"	525.53456	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+2Na-H"	44.97116
"629719"	765.81626	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+2Na-H"	44.97116
"1138693"	285.25286	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2Na-H"	44.97116
"181985"	263.270918	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+2Na"	45.978436
"621544"	383.411768	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+2Na"	45.978436
"1119582"	143.130068	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2Na"	45.978436
"1405294"	95.755804	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H+2Na"	46.985712
"1435222"	287.294446	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H+HCOOH"	47.012746
"224916"	268.30394	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+3H2O+2H"	56.04448
"1516259"	301.34649	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+IsoProp+H"	61.06479
"418137"	271.257888	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+Na+K"	61.952376
"779132"	391.398738	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+Na+K"	61.952376
"1666844"	151.117038	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Na+K"	61.952376
"251701"	544.579168	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+ACN+Na"	64.015768
"1226191"	304.297468	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+ACN+Na"	64.015768
"1714836"	304.320993	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+NH4+HCOOH"	64.039293
"1181282"	103.083118	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+3Na"	68.967654
"1650443"	309.276388	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Na+HCOOH"	68.994688
"159136"	557.48244	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+2K-H"	76.91904
"597601"	797.76414	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+2K-H"	76.91904
"1087584"	317.20074	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2K-H"	76.91904
"142210"	279.244858	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"2M+2K"	77.926316
"582863"	399.385708	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"3M+2K"	77.926316
"1069928"	159.104008	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2K"	77.926316
"1102038"	319.215292	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2K+H"	78.933592
"1336972"	319.302907	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+DMSO+H"	79.021207
"1005868"	323.342076	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2ACN+H"	83.060376
"1532389"	324.335708	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+IsoProp+Na+H"	84.054008
"1001023"	162.174676	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+2ACN+2H"	84.067652
"1595525"	325.250328	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+K+HCOOH"	84.968628
"1427382"	355.281838	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+H+CF3COOH"	115.000138
"1162044"	182.687951	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+3ACN+2H"	125.094202
"1707585"	372.308385	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+NH4+CF3COOH"	132.026685
"1643237"	377.26378	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+Na+CF3COOH"	136.98208
"1581077"	393.23772	"C01816"	"Heptadecane"	"C17H36"	"240.2817"	"M+K+CF3COOH"	152.95602
"811443"	268.0551	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M"	0
"983882"	249.03671	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-H2O-H"	-19.01839
"77962"	177.696124	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M-3H"	-3.021828
"513877"	267.047824	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M-3H"	-3.021828
"889493"	88.344424	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-3H"	-3.021828
"3694"	267.047824	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M-2H"	-2.014552
"447632"	401.075374	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M-2H"	-2.014552
"825434"	133.020274	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-2H"	-2.014552
"89800"	535.102924	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M-H"	-1.007276
"526079"	803.158024	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M-H"	-1.007276
"902787"	267.047824	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-H"	-1.007276
"49142"	552.129471	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M-2H+NH4"	16.019271
"494536"	820.184571	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M-2H+NH4"	16.019271
"872342"	284.074371	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-2H+NH4"	16.019271
"39148"	557.084866	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M-2H+Na"	20.974666
"475423"	825.139966	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M-2H+Na"	20.974666
"855413"	289.029766	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-2H+Na"	20.974666
"1623854"	289.029766	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Na-2H"	20.974666
"102569"	285.036163	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M-H+Cl"	33.962126
"543223"	419.063713	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M-H+Cl"	33.962126
"935645"	151.008613	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-H+Cl"	33.962126
"278572"	571.079602	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+Cl"	34.969402
"660216"	839.134702	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+Cl"	34.969402
"1273917"	303.024502	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Cl"	34.969402
"16186"	573.058806	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M-2H+K"	36.948606
"456641"	841.113906	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M-2H+K"	36.948606
"833959"	305.003706	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-2H+K"	36.948606
"1557326"	305.003706	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+K-2H"	36.948606
"945934"	313.053294	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-H+HCOOH"	44.998194
"364149"	581.108401	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+HCOOH-H"	44.998201
"350588"	595.124051	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+Hac-H"	59.013851
"1499059"	327.068951	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Hac-H"	59.013851
"961859"	335.035251	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-H+NaCOOH"	66.980151
"117695"	303.024502	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+2Cl"	69.938804
"553974"	437.052052	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+2Cl"	69.938804
"1023503"	168.996952	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2Cl"	69.938804
"1243324"	346.973985	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Br"	78.918885
"1310268"	349.029972	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Cl+HCOOH"	80.974872
"1326674"	371.011929	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Cl+NaCOOH"	102.956829
"918824"	381.040686	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M-H+CF3COOH"	112.985586
"1292616"	417.017364	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Cl+CF3COOH"	148.962264
"1372241"	233.042424	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H-2H2O"	-35.012676
"1384633"	251.0524	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H-H2O"	-17.0027
"285049"	537.117476	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+H"	1.007276
"681121"	805.172576	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+H"	1.007276
"1356010"	269.062376	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H"	1.007276
"128898"	269.062376	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+2H"	2.014552
"567364"	403.089926	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+2H"	2.014552
"1044187"	135.034826	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2H"	2.014552
"207714"	179.710676	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+3H"	3.021828
"650560"	269.062376	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+3H"	3.021828
"1164307"	90.358976	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+3H"	3.021828
"424664"	554.144023	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+NH4"	18.033823
"787479"	822.199123	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+NH4"	18.033823
"1683202"	286.088923	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+NH4"	18.033823
"330467"	277.5756495	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+H+NH4"	19.041099
"725237"	411.6031995	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+H+NH4"	19.041099
"1478328"	143.5480995	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H+NH4"	19.041099
"400290"	559.099418	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+Na"	22.989218
"763472"	827.154518	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+Na"	22.989218
"1606104"	291.044318	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Na"	22.989218
"317233"	280.053347	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+H+Na"	23.996494
"711842"	414.080897	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+H+Na"	23.996494
"1467848"	146.025797	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H+Na"	23.996494
"1058177"	97.68629	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2H+Na"	25.00377
"1261680"	301.088586	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+CH3OH+H"	33.033486
"385724"	575.073358	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+K"	38.963158
"746720"	843.128458	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+K"	38.963158
"1543672"	307.018258	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+K"	38.963158
"304126"	288.040317	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+H+K"	39.970434
"695454"	422.067867	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+H+K"	39.970434
"1448547"	154.012767	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H+K"	39.970434
"237877"	578.144026	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+ACN+H"	42.033826
"1211316"	310.088926	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+ACN+H"	42.033826
"1197384"	155.548101	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+ACN+2H"	43.041102
"191357"	581.08136	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+2Na-H"	44.97116
"630555"	849.13646	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+2Na-H"	44.97116
"1137710"	313.02626	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2Na-H"	44.97116
"184282"	291.044318	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+2Na"	45.978436
"621654"	425.071868	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+2Na"	45.978436
"1118720"	157.016768	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2Na"	45.978436
"1405403"	105.013604	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H+2Na"	46.985712
"1437519"	315.067846	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H+HCOOH"	47.012746
"223203"	296.07734	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+3H2O+2H"	56.04448
"1513089"	329.11989	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+IsoProp+H"	61.06479
"414967"	299.031288	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+Na+K"	61.952376
"774868"	433.058838	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+Na+K"	61.952376
"1667926"	165.003738	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Na+K"	61.952376
"255540"	600.125968	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+ACN+Na"	64.015768
"1231529"	332.070868	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+ACN+Na"	64.015768
"1716040"	332.094393	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+NH4+HCOOH"	64.039293
"1181391"	112.340918	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+3Na"	68.967654
"1651163"	337.049788	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Na+HCOOH"	68.994688
"159247"	613.02924	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+2K-H"	76.91904
"597831"	881.08434	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+2K-H"	76.91904
"1087694"	344.97414	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2K-H"	76.91904
"143049"	307.018258	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"2M+2K"	77.926316
"583702"	441.045808	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"3M+2K"	77.926316
"1070403"	172.990708	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2K"	77.926316
"1101664"	346.988692	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2K+H"	78.933592
"1338175"	347.076307	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+DMSO+H"	79.021207
"1007192"	351.115476	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2ACN+H"	83.060376
"1534323"	352.109108	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+IsoProp+Na+H"	84.054008
"1001863"	176.061376	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+2ACN+2H"	84.067652
"1600011"	353.023728	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+K+HCOOH"	84.968628
"1427493"	383.055238	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+H+CF3COOH"	115.000138
"1161425"	196.574651	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+3ACN+2H"	125.094202
"1707695"	400.081785	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+NH4+CF3COOH"	132.026685
"1643347"	405.03718	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+Na+CF3COOH"	136.98208
"1581187"	421.01112	"C01817"	"L-Homocystine;Homocystine"	"C8H16N2O4S2"	"268.0551"	"M+K+CF3COOH"	152.95602
"806085"	62.0116	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M"	0
"983992"	42.99321	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-H2O-H"	-19.01839
"74422"	40.3337906666667	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M-3H"	-3.021828
"511800"	61.004324	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M-3H"	-3.021828
"889603"	19.6632573333333	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-3H"	-3.021828
"3804"	61.004324	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M-2H"	-2.014552
"451021"	92.010124	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M-2H"	-2.014552
"826637"	29.998524	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-2H"	-2.014552
"89910"	123.015924	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M-H"	-1.007276
"524003"	185.027524	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M-H"	-1.007276
"902898"	61.004324	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-H"	-1.007276
"50712"	140.042471	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M-2H+NH4"	16.019271
"493553"	202.054071	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M-2H+NH4"	16.019271
"873545"	78.030871	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-2H+NH4"	16.019271
"39258"	144.997866	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M-2H+Na"	20.974666
"476627"	207.009466	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M-2H+Na"	20.974666
"855523"	82.986266	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-2H+Na"	20.974666
"1621774"	82.986266	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Na-2H"	20.974666
"100491"	78.992663	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M-H+Cl"	33.962126
"537866"	109.998463	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M-H+Cl"	33.962126
"937941"	47.986863	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-H+Cl"	33.962126
"276498"	158.992602	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+Cl"	34.969402
"660900"	221.004202	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+Cl"	34.969402
"1273175"	96.981002	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Cl"	34.969402
"15877"	160.971806	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M-2H+K"	36.948606
"455938"	222.983406	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M-2H+K"	36.948606
"834069"	98.960206	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-2H+K"	36.948606
"1556217"	98.960206	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+K-2H"	36.948606
"944100"	107.009794	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-H+HCOOH"	44.998194
"361828"	169.021401	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+HCOOH-H"	44.998201
"349968"	183.037051	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+Hac-H"	59.013851
"1498802"	121.025451	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Hac-H"	59.013851
"961238"	128.991751	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-H+NaCOOH"	66.980151
"115253"	96.981002	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+2Cl"	69.938804
"552261"	127.986802	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+2Cl"	69.938804
"1024343"	65.975202	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2Cl"	69.938804
"1243191"	140.930485	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Br"	78.918885
"1309286"	142.986472	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Cl+HCOOH"	80.974872
"1326783"	164.968429	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Cl+NaCOOH"	102.956829
"916382"	174.997186	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M-H+CF3COOH"	112.985586
"1291631"	210.973864	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Cl+CF3COOH"	148.962264
"1370526"	26.998924	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H-2H2O"	-35.012676
"1384011"	45.0089	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H-H2O"	-17.0027
"284064"	125.030476	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+H"	1.007276
"681230"	187.042076	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+H"	1.007276
"1355392"	63.018876	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H"	1.007276
"128278"	63.018876	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+2H"	2.014552
"567835"	94.024676	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+2H"	2.014552
"1043203"	32.013076	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2H"	2.014552
"206851"	42.3483426666667	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+3H"	3.021828
"651763"	63.018876	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+3H"	3.021828
"1164053"	21.6778093333333	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+3H"	3.021828
"424368"	142.057023	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+NH4"	18.033823
"786253"	204.068623	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+NH4"	18.033823
"1683192"	80.045423	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+NH4"	18.033823
"330044"	71.5321495	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+H+NH4"	19.041099
"725347"	102.5379495	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+H+NH4"	19.041099
"1477345"	40.5263495	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H+NH4"	19.041099
"399306"	147.012418	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+Na"	22.989218
"764675"	209.024018	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+Na"	22.989218
"1606214"	85.000818	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Na"	22.989218
"319530"	74.009847	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+H+Na"	23.996494
"711951"	105.015647	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+H+Na"	23.996494
"1467958"	43.004047	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H+Na"	23.996494
"1057923"	29.0051233333333	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2H+Na"	25.00377
"1263978"	95.045086	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+CH3OH+H"	33.033486
"388020"	162.986358	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+K"	38.963158
"751203"	224.997958	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+K"	38.963158
"1543417"	100.974758	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+K"	38.963158
"307152"	81.996817	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+H+K"	39.970434
"695564"	113.002617	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+H+K"	39.970434
"1451210"	50.991017	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H+K"	39.970434
"238351"	166.057026	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+ACN+H"	42.033826
"1212519"	104.045426	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+ACN+H"	42.033826
"1196036"	52.526351	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+ACN+2H"	43.041102
"190735"	168.99436	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+2Na-H"	44.97116
"633215"	231.00596	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+2Na-H"	44.97116
"1135628"	106.98276	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2Na-H"	44.97116
"178923"	85.000818	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+2Na"	45.978436
"616296"	116.006618	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+2Na"	45.978436
"1115743"	53.995018	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2Na"	45.978436
"1399069"	36.3324373333333	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H+2Na"	46.985712
"1434349"	109.024346	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H+HCOOH"	47.012746
"221127"	90.03384	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+3H2O+2H"	56.04448
"1509552"	123.07639	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+IsoProp+H"	61.06479
"415077"	92.987788	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+Na+K"	61.952376
"774979"	123.993588	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+Na+K"	61.952376
"1671316"	61.981988	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Na+K"	61.952376
"257837"	188.038968	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+ACN+Na"	64.015768
"1231639"	126.027368	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+ACN+Na"	64.015768
"1717243"	126.050893	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+NH4+HCOOH"	64.039293
"1181503"	43.6597513333333	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+3Na"	68.967654
"1652126"	131.006288	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Na+HCOOH"	68.994688
"159599"	200.94224	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+2K-H"	76.91904
"598063"	262.95384	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+2K-H"	76.91904
"1085735"	138.93064	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2K-H"	76.91904
"144009"	100.974758	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"2M+2K"	77.926316
"582840"	131.980558	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"3M+2K"	77.926316
"1071242"	69.968958	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2K"	77.926316
"1101528"	140.945192	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2K+H"	78.933592
"1337555"	141.032807	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+DMSO+H"	79.021207
"1007911"	145.071976	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2ACN+H"	83.060376
"1535885"	146.065608	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+IsoProp+Na+H"	84.054008
"1000149"	73.039626	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+2ACN+2H"	84.067652
"1599757"	146.980228	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+K+HCOOH"	84.968628
"1427967"	177.011738	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+H+CF3COOH"	115.000138
"1159348"	93.552901	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+3ACN+2H"	125.094202
"1707805"	194.038285	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+NH4+CF3COOH"	132.026685
"1643457"	198.99368	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+Na+CF3COOH"	136.98208
"1581297"	214.96762	"C01818"	"Hyponitrite;Hyponitrous acid"	"H2N2O2"	"62.0116"	"M+K+CF3COOH"	152.95602
"803279"	132.0687	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M"	0
"984102"	113.05031	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-H2O-H"	-19.01839
"77694"	87.038524	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M-3H"	-3.021828
"510817"	131.061424	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M-3H"	-3.021828
"887527"	43.015624	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-3H"	-3.021828
"5008"	131.061424	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M-2H"	-2.014552
"451863"	197.095774	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M-2H"	-2.014552
"825657"	65.027074	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-2H"	-2.014552
"90021"	263.130124	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M-H"	-1.007276
"525207"	395.198824	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M-H"	-1.007276
"900091"	131.061424	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-H"	-1.007276
"55196"	280.156671	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M-2H+NH4"	16.019271
"493665"	412.225371	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M-2H+NH4"	16.019271
"875842"	148.087971	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-2H+NH4"	16.019271
"42648"	285.112066	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M-2H+Na"	20.974666
"481111"	417.180766	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M-2H+Na"	20.974666
"855633"	153.043366	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-2H+Na"	20.974666
"1620791"	153.043366	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Na-2H"	20.974666
"97320"	149.049763	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M-H+Cl"	33.962126
"537247"	215.084113	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M-H+Cl"	33.962126
"932584"	83.015413	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-H+Cl"	33.962126
"272233"	299.106802	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+Cl"	34.969402
"662469"	431.175502	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+Cl"	34.969402
"1276330"	167.038102	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Cl"	34.969402
"21074"	301.086006	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M-2H+K"	36.948606
"455895"	433.154706	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M-2H+K"	36.948606
"832910"	169.017306	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-2H+K"	36.948606
"1555966"	169.017306	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+K-2H"	36.948606
"943606"	177.066894	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-H+HCOOH"	44.998194
"362913"	309.135601	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+HCOOH-H"	44.998201
"348985"	323.151251	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+Hac-H"	59.013851
"1497456"	191.082551	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Hac-H"	59.013851
"961715"	199.048851	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-H+NaCOOH"	66.980151
"114997"	167.038102	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+2Cl"	69.938804
"552372"	233.072452	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+2Cl"	69.938804
"1023359"	101.003752	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2Cl"	69.938804
"1245125"	210.987585	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Br"	78.918885
"1310489"	213.043572	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Cl+HCOOH"	80.974872
"1326893"	235.025529	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Cl+NaCOOH"	102.956829
"915764"	245.054286	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M-H+CF3COOH"	112.985586
"1291014"	281.030964	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Cl+CF3COOH"	148.962264
"1371000"	97.056024	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H-2H2O"	-35.012676
"1384242"	115.066	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H-H2O"	-17.0027
"283203"	265.144676	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+H"	1.007276
"681340"	397.213376	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+H"	1.007276
"1355502"	133.075976	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H"	1.007276
"129117"	133.075976	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+2H"	2.014552
"568312"	199.110326	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+2H"	2.014552
"1043313"	67.041626	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2H"	2.014552
"206840"	89.053076	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+3H"	3.021828
"654060"	133.075976	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+3H"	3.021828
"1171092"	45.030176	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+3H"	3.021828
"424285"	282.171223	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+NH4"	18.033823
"788797"	414.239923	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+NH4"	18.033823
"1688405"	150.102523	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+NH4"	18.033823
"333403"	141.5892495	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+H+NH4"	19.041099
"728010"	207.6235995	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+H+NH4"	19.041099
"1480008"	75.5548995	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H+NH4"	19.041099
"398322"	287.126618	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+Na"	22.989218
"766244"	419.195318	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+Na"	22.989218
"1608511"	155.057918	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Na"	22.989218
"320734"	144.066947	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+H+Na"	23.996494
"714248"	210.101297	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+H+Na"	23.996494
"1469162"	78.032597	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H+Na"	23.996494
"1058033"	52.35749	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2H+Na"	25.00377
"1262995"	165.102186	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+CH3OH+H"	33.033486
"388130"	303.100558	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+K"	38.963158
"751313"	435.169258	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+K"	38.963158
"1545714"	171.031858	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+K"	38.963158
"309084"	152.053917	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+H+K"	39.970434
"696767"	218.088267	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+H+K"	39.970434
"1450227"	86.019567	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H+K"	39.970434
"239554"	306.171226	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+ACN+H"	42.033826
"1214086"	174.102526	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+ACN+H"	42.033826
"1196876"	87.554901	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+ACN+2H"	43.041102
"192299"	309.10856	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+2Na-H"	44.97116
"632595"	441.17726	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+2Na-H"	44.97116
"1133184"	177.03986	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2Na-H"	44.97116
"174659"	155.057918	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+2Na"	45.978436
"612822"	221.092268	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+2Na"	45.978436
"1115697"	89.023568	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2Na"	45.978436
"1398461"	59.684804	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H+2Na"	46.985712
"1434823"	179.081446	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H+HCOOH"	47.012746
"220264"	160.09094	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+3H2O+2H"	56.04448
"1511120"	193.13349	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+IsoProp+H"	61.06479
"412635"	163.044888	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+Na+K"	61.952376
"774359"	229.079238	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+Na+K"	61.952376
"1667780"	97.010538	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Na+K"	61.952376
"254666"	328.153168	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+ACN+Na"	64.015768
"1228468"	196.084468	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+ACN+Na"	64.015768
"1716260"	196.107993	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+NH4+HCOOH"	64.039293
"1181612"	67.012118	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+3Na"	68.967654
"1652602"	201.063388	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Na+HCOOH"	68.994688
"159708"	341.05644	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+2K-H"	76.91904
"597440"	473.12514	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+2K-H"	76.91904
"1085602"	208.98774	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2K-H"	76.91904
"143390"	171.031858	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"2M+2K"	77.926316
"581978"	237.066208	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"3M+2K"	77.926316
"1071352"	104.997508	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2K"	77.926316
"1102003"	211.002292	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2K+H"	78.933592
"1337057"	211.089907	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+DMSO+H"	79.021207
"1007412"	215.129076	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2ACN+H"	83.060376
"1534903"	216.122708	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+IsoProp+Na+H"	84.054008
"1000258"	108.068176	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+2ACN+2H"	84.067652
"1600231"	217.037328	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+K+HCOOH"	84.968628
"1428078"	247.068838	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+H+CF3COOH"	115.000138
"1159458"	128.581451	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+3ACN+2H"	125.094202
"1709008"	264.095385	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+NH4+CF3COOH"	132.026685
"1643567"	269.05078	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+Na+CF3COOH"	136.98208
"1581407"	285.02472	"C01819"	"Indoleamine;Indolamine"	"C8H8N2"	"132.0687"	"M+K+CF3COOH"	152.95602
"805212"	448.1006	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M"	0
"982025"	429.08221	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"75739"	297.726457333333	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"513113"	447.093324	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"890917"	148.359590666667	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"6212"	447.093324	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"454526"	671.143624	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"829048"	223.043024	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"90132"	895.193924	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"529693"	1343.294524	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"904214"	447.093324	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"57497"	912.220471	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"492682"	1360.321071	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"878994"	464.119871	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"44947"	917.175866	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"480131"	1365.276466	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"857935"	469.075266	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1624185"	469.075266	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"97433"	465.081663	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"543556"	689.131963	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"934884"	241.031363	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"274533"	931.170602	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"664766"	1379.271202	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1276440"	483.070002	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"20457"	933.149806	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"461477"	1381.250406	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"834902"	485.049206	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1556567"	485.049206	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"942790"	493.098794	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"363756"	941.199401	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"350558"	955.215051	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1497203"	507.114451	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"963649"	515.080751	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"115473"	483.070002	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"554306"	707.120302	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1026750"	259.019702	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1248152"	527.019485	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1310600"	529.075472	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1325910"	551.057429	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"911941"	561.086186	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1291124"	597.062864	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1369165"	413.087924	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1386060"	431.0979	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"288299"	897.208476	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"685825"	1345.309076	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1354518"	449.107876	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"129230"	449.107876	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"573529"	673.158176	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1045609"	225.057576	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"209137"	299.741009333333	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"648702"	449.107876	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1165735"	150.374142666667	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"424991"	914.235023	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"786720"	1362.335623	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1685235"	466.134423	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"331326"	457.6211495	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"733588"	681.6714495	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1483034"	233.5708495	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"399525"	919.190418	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"759428"	1367.291018	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1610808"	471.089818	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"320846"	460.098847	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"709986"	684.149147	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1463807"	236.048547	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1062522"	157.701456666667	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1265295"	481.134086	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"387147"	935.164358	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"747051"	1383.264958	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1549106"	487.063758	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"307376"	468.085817	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"701983"	692.136117	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1452524"	244.035517	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"241488"	938.235026	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1216383"	490.134426	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1198442"	245.570851	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"191677"	941.17236	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"630880"	1389.27296	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1134025"	493.07176	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"173469"	471.089818	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"613964"	695.140118	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1125492"	247.039518	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1399659"	165.028770666667	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1432384"	495.113346	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"221714"	476.12284	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1517436"	509.16539	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"419675"	479.076788	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"781764"	703.127088	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1671535"	255.026488	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"255869"	960.216968	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1229671"	512.116368	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1716370"	512.139893	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1183912"	172.356084666667	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1651618"	517.095288	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"158725"	973.12024	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"597673"	1421.22084	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1086563"	525.01964	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"143379"	487.063758	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"583426"	711.114058	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1070128"	263.013458	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1104311"	527.034192	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1338142"	527.121807	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1006065"	531.160976	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1532827"	532.154608	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"998179"	266.084126	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1599244"	533.069228	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1425997"	563.100738	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1159567"	286.597401	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1705837"	580.127285	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1643677"	585.08268	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1581517"	601.05662	"C01821"	"Isoorientin;Homoorientin"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"814071"	484.2381	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M"	0
"989189"	465.21971	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-H2O-H"	-19.01839
"77310"	321.818124	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M-3H"	-3.021828
"511038"	483.230824	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M-3H"	-3.021828
"894188"	160.405424	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-3H"	-3.021828
"11790"	483.230824	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M-2H"	-2.014552
"453790"	725.349874	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M-2H"	-2.014552
"832200"	241.111774	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-2H"	-2.014552
"90242"	967.468924	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M-H"	-1.007276
"531628"	1451.707024	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M-H"	-1.007276
"908458"	483.230824	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-H"	-1.007276
"61377"	984.495471	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M-2H+NH4"	16.019271
"501059"	1468.733571	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M-2H+NH4"	16.019271
"878739"	500.257371	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-2H+NH4"	16.019271
"44453"	989.450866	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M-2H+Na"	20.974666
"484616"	1473.688966	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M-2H+Na"	20.974666
"856950"	505.212766	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-2H+Na"	20.974666
"1628671"	505.212766	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Na-2H"	20.974666
"105200"	501.219163	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M-H+Cl"	33.962126
"546948"	743.338213	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M-H+Cl"	33.962126
"936091"	259.100113	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-H+Cl"	33.962126
"276834"	1003.445602	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+Cl"	34.969402
"672533"	1487.683702	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+Cl"	34.969402
"1280197"	519.207502	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Cl"	34.969402
"24214"	1005.424806	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M-2H+K"	36.948606
"458304"	1489.662906	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M-2H+K"	36.948606
"834282"	521.186706	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-2H+K"	36.948606
"1558862"	521.186706	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+K-2H"	36.948606
"946745"	529.236294	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-H+HCOOH"	44.998194
"363866"	1013.474401	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+HCOOH-H"	44.998201
"351396"	1027.490051	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+Hac-H"	59.013851
"1496586"	543.251951	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Hac-H"	59.013851
"963764"	551.218251	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-H+NaCOOH"	66.980151
"112670"	519.207502	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+2Cl"	69.938804
"554421"	761.326552	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+2Cl"	69.938804
"1027594"	277.088452	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2Cl"	69.938804
"1247536"	563.156985	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Br"	78.918885
"1308526"	565.212972	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Cl+HCOOH"	80.974872
"1322376"	587.194929	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Cl+NaCOOH"	102.956829
"914528"	597.223686	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M-H+CF3COOH"	112.985586
"1291968"	633.200364	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Cl+CF3COOH"	148.962264
"1370129"	449.225424	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H-2H2O"	-35.012676
"1387629"	467.2354	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H-H2O"	-17.0027
"288410"	969.483476	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+H"	1.007276
"685936"	1453.721576	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+H"	1.007276
"1357910"	485.245376	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H"	1.007276
"132987"	485.245376	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+2H"	2.014552
"578016"	727.364426	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+2H"	2.014552
"1041350"	243.126326	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2H"	2.014552
"211438"	323.832676	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+3H"	3.021828
"652092"	485.245376	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+3H"	3.021828
"1172406"	162.419976	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+3H"	3.021828
"426931"	986.510023	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+NH4"	18.033823
"791207"	1470.748123	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+NH4"	18.033823
"1687537"	502.271923	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+NH4"	18.033823
"339091"	493.7586495	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+H+NH4"	19.041099
"729325"	735.8776995	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+H+NH4"	19.041099
"1482051"	251.6395995	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H+NH4"	19.041099
"405105"	991.465418	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+Na"	22.989218
"758447"	1475.703518	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+Na"	22.989218
"1605451"	507.227318	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Na"	22.989218
"316584"	496.236347	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+H+Na"	23.996494
"710099"	738.355397	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+H+Na"	23.996494
"1467201"	254.117297	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H+Na"	23.996494
"1059353"	169.74729	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2H+Na"	25.00377
"1266501"	517.271586	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+CH3OH+H"	33.033486
"390543"	1007.439358	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+K"	38.963158
"753727"	1491.677458	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+K"	38.963158
"1550313"	523.201258	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+K"	38.963158
"308581"	504.223317	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+H+K"	39.970434
"698814"	746.342367	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+H+K"	39.970434
"1457010"	262.104267	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H+K"	39.970434
"239045"	1010.510026	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+ACN+H"	42.033826
"1212487"	526.271926	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+ACN+H"	42.033826
"1195765"	263.639601	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+ACN+2H"	43.041102
"191797"	1013.44736	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+2Na-H"	44.97116
"632456"	1497.68546	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+2Na-H"	44.97116
"1135963"	529.20926	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2Na-H"	44.97116
"178160"	507.227318	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+2Na"	45.978436
"619546"	749.346368	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+2Na"	45.978436
"1121959"	265.108268	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2Na"	45.978436
"1405846"	177.074604	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H+2Na"	46.985712
"1435046"	531.250846	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H+HCOOH"	47.012746
"224376"	512.26034	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+3H2O+2H"	56.04448
"1522286"	545.30289	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+IsoProp+H"	61.06479
"424206"	515.214288	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+Na+K"	61.952376
"785161"	757.333338	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+Na+K"	61.952376
"1680395"	273.095238	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Na+K"	61.952376
"263634"	1032.491968	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+ACN+Na"	64.015768
"1238530"	548.253868	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+ACN+Na"	64.015768
"1723043"	548.277393	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+NH4+HCOOH"	64.039293
"1186214"	184.401918	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+3Na"	68.967654
"1656107"	553.232788	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Na+HCOOH"	68.994688
"168075"	1045.39524	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+2K-H"	76.91904
"606541"	1529.63334	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+2K-H"	76.91904
"1091058"	561.15714	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2K-H"	76.91904
"151152"	523.201258	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"2M+2K"	77.926316
"591076"	765.320308	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"3M+2K"	77.926316
"1075958"	281.082208	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2K"	77.926316
"1107708"	563.171692	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2K+H"	78.933592
"1344093"	563.259307	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+DMSO+H"	79.021207
"1012625"	567.298476	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2ACN+H"	83.060376
"1529657"	568.292108	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+IsoProp+Na+H"	84.054008
"999382"	284.152876	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+2ACN+2H"	84.067652
"1594979"	569.206728	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+K+HCOOH"	84.968628
"1426107"	599.238238	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+H+CF3COOH"	115.000138
"1155302"	304.666151	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+3ACN+2H"	125.094202
"1705948"	616.264785	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+NH4+CF3COOH"	132.026685
"1643784"	621.22018	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+Na+CF3COOH"	136.98208
"1581627"	637.19412	"C01822"	"Kanamycin A"	"C18H36N4O11"	"484.2381"	"M+K+CF3COOH"	152.95602
"811993"	484.2381	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M"	0
"988079"	465.21971	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-H2O-H"	-19.01839
"77658"	321.818124	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M-3H"	-3.021828
"513332"	483.230824	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M-3H"	-3.021828
"887855"	160.405424	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-3H"	-3.021828
"8618"	483.230824	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M-2H"	-2.014552
"453292"	725.349874	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M-2H"	-2.014552
"829269"	241.111774	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-2H"	-2.014552
"92792"	967.468924	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M-H"	-1.007276
"531860"	1451.707024	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M-H"	-1.007276
"908450"	483.230824	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-H"	-1.007276
"59786"	984.495471	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M-2H+NH4"	16.019271
"500926"	1468.733571	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M-2H+NH4"	16.019271
"877393"	500.257371	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-2H+NH4"	16.019271
"43712"	989.450866	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M-2H+Na"	20.974666
"484727"	1473.688966	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M-2H+Na"	20.974666
"858154"	505.212766	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-2H+Na"	20.974666
"1624406"	505.212766	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Na-2H"	20.974666
"105310"	501.219163	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M-H+Cl"	33.962126
"543777"	743.338213	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M-H+Cl"	33.962126
"939480"	259.100113	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-H+Cl"	33.962126
"280468"	1003.445602	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+Cl"	34.969402
"670455"	1487.683702	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+Cl"	34.969402
"1282858"	519.207502	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Cl"	34.969402
"25417"	1005.424806	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M-2H+K"	36.948606
"458778"	1489.662906	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M-2H+K"	36.948606
"835121"	521.186706	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-2H+K"	36.948606
"1557879"	521.186706	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+K-2H"	36.948606
"949042"	529.236294	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-H+HCOOH"	44.998194
"365070"	1013.474401	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+HCOOH-H"	44.998201
"351873"	1027.490051	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+Hac-H"	59.013851
"1498883"	543.251951	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Hac-H"	59.013851
"966061"	551.218251	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-H+NaCOOH"	66.980151
"112779"	519.207502	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+2Cl"	69.938804
"553799"	761.326552	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+2Cl"	69.938804
"1023326"	277.088452	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2Cl"	69.938804
"1249467"	563.156985	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Br"	78.918885
"1305719"	565.212972	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Cl+HCOOH"	80.974872
"1322485"	587.194929	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Cl+NaCOOH"	102.956829
"916096"	597.223686	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M-H+CF3COOH"	112.985586
"1289198"	633.200364	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Cl+CF3COOH"	148.962264
"1368415"	449.225424	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H-2H2O"	-35.012676
"1386281"	467.2354	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H-H2O"	-17.0027
"289249"	969.483476	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+H"	1.007276
"686045"	1453.721576	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+H"	1.007276
"1359113"	485.245376	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H"	1.007276
"133097"	485.245376	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+2H"	2.014552
"577032"	727.364426	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+2H"	2.014552
"1042553"	243.126326	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2H"	2.014552
"212641"	323.832676	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+3H"	3.021828
"652202"	485.245376	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+3H"	3.021828
"1174703"	162.419976	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+3H"	3.021828
"432508"	986.510023	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+NH4"	18.033823
"794597"	1470.748123	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+NH4"	18.033823
"1687647"	502.271923	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+NH4"	18.033823
"338111"	493.7586495	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+H+NH4"	19.041099
"731622"	735.8776995	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+H+NH4"	19.041099
"1484348"	251.6395995	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H+NH4"	19.041099
"405217"	991.465418	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+Na"	22.989218
"759651"	1475.703518	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+Na"	22.989218
"1607748"	507.227318	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Na"	22.989218
"318152"	496.236347	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+H+Na"	23.996494
"714582"	738.355397	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+H+Na"	23.996494
"1469498"	254.117297	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H+Na"	23.996494
"1062743"	169.74729	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2H+Na"	25.00377
"1270620"	517.271586	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+CH3OH+H"	33.033486
"389562"	1007.439358	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+K"	38.963158
"753475"	1491.677458	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+K"	38.963158
"1551516"	523.201258	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+K"	38.963158
"307598"	504.223317	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+H+K"	39.970434
"700019"	746.342367	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+H+K"	39.970434
"1458943"	262.104267	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H+K"	39.970434
"239159"	1010.510026	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+ACN+H"	42.033826
"1211866"	526.271926	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+ACN+H"	42.033826
"1195024"	263.639601	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+ACN+2H"	43.041102
"190806"	1013.44736	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+2Na-H"	44.97116
"630379"	1497.68546	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+2Na-H"	44.97116
"1136073"	529.20926	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2Na-H"	44.97116
"180821"	507.227318	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+2Na"	45.978436
"619654"	749.346368	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+2Na"	45.978436
"1125713"	265.108268	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2Na"	45.978436
"1407778"	177.074604	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H+2Na"	46.985712
"1436613"	531.250846	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H+HCOOH"	47.012746
"225579"	512.26034	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+3H2O+2H"	56.04448
"1520209"	545.30289	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+IsoProp+H"	61.06479
"419896"	515.214288	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+Na+K"	61.952376
"784904"	757.333338	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+Na+K"	61.952376
"1679412"	273.095238	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Na+K"	61.952376
"263744"	1032.491968	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+ACN+Na"	64.015768
"1236453"	548.253868	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+ACN+Na"	64.015768
"1720965"	548.277393	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+NH4+HCOOH"	64.039293
"1186324"	184.401918	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+3Na"	68.967654
"1656217"	553.232788	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Na+HCOOH"	68.994688
"165268"	1045.39524	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+2K-H"	76.91904
"607015"	1529.63334	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+2K-H"	76.91904
"1091532"	561.15714	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2K-H"	76.91904
"148346"	523.201258	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"2M+2K"	77.926316
"592279"	765.320308	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"3M+2K"	77.926316
"1075702"	281.082208	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2K"	77.926316
"1107818"	563.171692	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2K+H"	78.933592
"1344200"	563.259307	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+DMSO+H"	79.021207
"1014921"	567.298476	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2ACN+H"	83.060376
"1534139"	568.292108	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+IsoProp+Na+H"	84.054008
"999492"	284.152876	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+2ACN+2H"	84.067652
"1593996"	569.206728	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+K+HCOOH"	84.968628
"1425124"	599.238238	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+H+CF3COOH"	115.000138
"1155412"	304.666151	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+3ACN+2H"	125.094202
"1702778"	616.264785	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+NH4+CF3COOH"	132.026685
"1642801"	621.22018	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+Na+CF3COOH"	136.98208
"1581737"	637.19412	"C01823"	"Kanamycin C"	"C18H36N4O11"	"484.2381"	"M+K+CF3COOH"	152.95602
"812103"	180.0634	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M"	0
"982357"	161.04501	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"71692"	119.034990666667	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"509067"	179.056124	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"890148"	59.0138573333333	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"7630"	179.056124	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"451575"	269.087824	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"829378"	89.024424	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"93501"	359.119524	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"532212"	539.182924	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"910745"	179.056124	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"57828"	376.146071	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"499575"	556.209471	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"879169"	196.082671	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"45279"	381.101466	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"482649"	561.164866	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"859355"	201.038066	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1627795"	201.038066	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"105419"	197.044463	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"543886"	287.076163	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"938496"	107.012763	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"280334"	395.096202	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"671658"	575.159602	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1282966"	215.032802	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"25527"	397.075406	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"456822"	577.138806	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"835231"	217.012006	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1559812"	217.012006	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"945873"	225.061594	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"365544"	405.125001	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"349065"	419.140651	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1495349"	239.077251	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"962161"	247.043551	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"114712"	215.032802	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"550625"	305.064502	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1024168"	125.001102	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1244476"	258.982285	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1304323"	261.038272	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1324053"	283.020229	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"912193"	293.048986	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1288545"	329.025664	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1368159"	145.050724	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1385296"	163.0607	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"286079"	361.134076	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"682875"	541.197476	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1358130"	181.070676	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"133207"	181.070676	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"573863"	271.102376	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1042663"	91.038976	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"212751"	121.049542666667	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"652312"	181.070676	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1177000"	61.0284093333333	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"432618"	378.160623	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"794707"	558.224023	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1688850"	198.097223	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"338221"	189.5839495	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"730639"	279.6156495	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1484459"	99.5522495	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"405327"	383.116018	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"758668"	563.179418	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1606765"	203.052618	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"317898"	192.061647	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"714692"	282.093347	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1468515"	102.029947	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1061761"	68.3557233333333	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1266720"	213.096886	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"388579"	399.089958	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"752853"	579.153358	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1552718"	219.026558	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"307707"	200.048617	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"700129"	290.080317	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1458323"	110.016917	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"240361"	402.160626	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1211367"	222.097226	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1195864"	111.552251	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"190189"	405.09796	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"631582"	585.16136	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1139463"	225.03456	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"178380"	203.052618	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"616484"	293.084318	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1123635"	113.020918	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1407160"	75.6830373333333	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1436723"	227.076146	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"221070"	208.08564	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520319"	241.12819	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"416726"	211.039588	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"777723"	301.071288	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1671865"	121.007888	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"263854"	424.142568	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1236563"	244.079168	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1719981"	244.102693	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1183518"	83.0103513333333	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1651222"	249.058088	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"163190"	437.04584	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"604939"	617.10924	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1093827"	256.98244	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"147363"	219.026558	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"591296"	309.058258	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1076905"	128.994858	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1106835"	258.996992	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1345403"	259.084607	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1015031"	263.123776	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1532062"	264.117408	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"994135"	132.065526	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1595199"	265.032028	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1421954"	295.063538	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1155522"	152.578801	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1702888"	312.090085	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1642911"	317.04548	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1581847"	333.01942	"C01825"	"L-Galactose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"811122"	117.079	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M"	0
"976271"	98.06061	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"68523"	77.0453906666667	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"512457"	116.071724	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"886979"	38.0190573333333	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"11029"	116.071724	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"455334"	174.611224	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"830582"	57.532224	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"93943"	233.150724	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"533415"	350.229724	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"911102"	116.071724	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"56844"	250.177271	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"499684"	367.256271	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"877487"	133.098271	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"38825"	255.132666	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"483850"	372.211666	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"859465"	138.053666	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1630092"	138.053666	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"104437"	134.060063	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"548370"	192.599563	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"939698"	75.520563	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"278985"	269.127402	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"667393"	386.206402	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1283080"	152.048402	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"18711"	271.106606	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"457177"	388.185606	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"835704"	154.027606	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1556643"	154.027606	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"947810"	162.077194	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"366025"	279.156201	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"348815"	293.171851	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1494001"	176.092851	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"960448"	184.059151	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"116280"	152.048402	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"554748"	210.587902	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1025734"	93.508902	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1250780"	195.997885	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1307762"	198.053872	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1328538"	220.035829	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"917409"	230.064586	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1293026"	266.041264	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1368635"	82.066324	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1383222"	100.0763	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"292750"	235.165276	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"682985"	352.244276	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1356055"	118.086276	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"133317"	118.086276	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"573972"	176.625776	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1043867"	59.546776	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"213956"	79.0599426666667	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"653517"	118.086276	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1174923"	40.0336093333333	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"431635"	252.191823	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"793721"	369.270823	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1687866"	135.112823	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"338332"	126.5995495	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"729657"	185.1390495	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1482382"	68.0600495	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"394501"	257.147218	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"759870"	374.226218	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1609064"	140.068218	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"318006"	129.077247	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"713708"	187.616747	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1466438"	70.537747	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1062965"	47.3609233333333	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1266834"	150.112486	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"387595"	273.121158	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"751871"	390.200158	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1553194"	156.042158	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"308911"	137.064217	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"701334"	195.603717	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1454058"	78.524717	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"241563"	276.191826	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1210996"	159.112826	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1197070"	80.060051	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"189327"	279.12916	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"633881"	396.20816	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1139573"	162.05016	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"181043"	140.068218	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"625707"	198.607718	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1124111"	81.528718	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1407270"	54.6882373333333	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1436106"	164.091746	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"221301"	145.10124	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1520429"	178.14379	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"423396"	148.055188	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"777833"	206.594688	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1670882"	89.515688	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"266151"	298.173768	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1239953"	181.094768	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1724465"	181.118293	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1183991"	62.0155513333333	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1650845"	186.073688	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"162208"	311.07704	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"609428"	428.15604	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1092846"	193.99804	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"149663"	156.042158	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"589220"	214.581658	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1077017"	97.502658	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1106945"	196.012592	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1344426"	196.100207	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1011861"	200.139376	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1534361"	201.133008	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"997524"	100.573326	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1592027"	202.047628	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1422064"	232.079138	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1155632"	121.086601	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1706278"	249.105685	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1638648"	254.06108	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1581957"	270.03502	"C01826"	"L-Norvaline;L-2-Aminovaleric acid;L-2-Aminopentanoic acid;(S)-2-Aminopentanoic acid"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"802480"	776.6867	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M"	0
"982577"	757.66831	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-H2O-H"	-19.01839
"71913"	516.783857333333	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M-3H"	-3.021828
"508194"	775.679424	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M-3H"	-3.021828
"887093"	257.888290666667	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-3H"	-3.021828
"11139"	775.679424	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M-2H"	-2.014552
"453983"	1164.022774	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M-2H"	-2.014552
"831785"	387.336074	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-2H"	-2.014552
"93561"	1552.366124	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M-H"	-1.007276
"532431"	2329.052824	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M-H"	-1.007276
"908048"	775.679424	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-H"	-1.007276
"56954"	1569.392671	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M-2H+NH4"	16.019271
"500890"	2346.079371	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M-2H+NH4"	16.019271
"878697"	792.705971	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-2H+NH4"	16.019271
"42216"	1574.348066	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M-2H+Na"	20.974666
"477397"	2351.034766	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M-2H+Na"	20.974666
"854106"	797.661366	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-2H+Na"	20.974666
"1628014"	797.661366	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Na-2H"	20.974666
"105640"	793.667763	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M-H+Cl"	33.962126
"544106"	1182.011113	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M-H+Cl"	33.962126
"940053"	405.324413	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-H+Cl"	33.962126
"278366"	1588.342802	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+Cl"	34.969402
"666410"	2365.029502	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+Cl"	34.969402
"1286228"	811.656102	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Cl"	34.969402
"17000"	1590.322006	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M-2H+K"	36.948606
"456924"	2367.008706	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M-2H+K"	36.948606
"835085"	813.635306	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-2H+K"	36.948606
"1557116"	813.635306	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+K-2H"	36.948606
"945732"	821.684894	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-H+HCOOH"	44.998194
"363948"	1598.371601	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+HCOOH-H"	44.998201
"347096"	1612.387251	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+Hac-H"	59.013851
"1494836"	835.700551	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Hac-H"	59.013851
"962378"	843.666851	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-H+NaCOOH"	66.980151
"119670"	811.656102	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+2Cl"	69.938804
"559230"	1199.999452	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+2Cl"	69.938804
"1030216"	423.312752	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2Cl"	69.938804
"1250889"	855.605585	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Br"	78.918885
"1308598"	857.661572	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Cl+HCOOH"	80.974872
"1324274"	879.643529	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Cl+NaCOOH"	102.956829
"913509"	889.672286	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M-H+CF3COOH"	112.985586
"1289125"	925.648964	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Cl+CF3COOH"	148.962264
"1367654"	741.674024	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H-2H2O"	-35.012676
"1393175"	759.684	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H-H2O"	-17.0027
"292861"	1554.380676	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+H"	1.007276
"684189"	2331.067376	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+H"	1.007276
"1355071"	777.693976	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H"	1.007276
"133429"	777.693976	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+2H"	2.014552
"570803"	1166.037326	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+2H"	2.014552
"1043977"	389.350626	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2H"	2.014552
"216254"	518.798409333333	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+3H"	3.021828
"650347"	777.693976	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+3H"	3.021828
"1176127"	259.902842666667	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+3H"	3.021828
"433933"	1571.407223	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+NH4"	18.033823
"792739"	2348.093923	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+NH4"	18.033823
"1691257"	794.720523	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+NH4"	18.033823
"338442"	786.2072495	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+H+NH4"	19.041099
"727580"	1174.5505995	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+H+NH4"	19.041099
"1481400"	397.8638995	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H+NH4"	19.041099
"396800"	1576.362618	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+Na"	22.989218
"758889"	2353.049318	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+Na"	22.989218
"1610267"	799.675918	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Na"	22.989218
"321398"	788.684947	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+H+Na"	23.996494
"711998"	1177.028297	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+H+Na"	23.996494
"1469829"	400.341597	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H+Na"	23.996494
"1063076"	267.230156666667	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2H+Na"	25.00377
"1265850"	809.720186	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+CH3OH+H"	33.033486
"388799"	1592.336558	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+K"	38.963158
"752953"	2369.023258	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+K"	38.963158
"1553304"	815.649858	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+K"	38.963158
"303552"	796.671917	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+H+K"	39.970434
"703628"	1185.015267	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+H+K"	39.970434
"1456353"	408.328567	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H+K"	39.970434
"241673"	1595.407226	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+ACN+H"	42.033826
"1211470"	818.720526	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+ACN+H"	42.033826
"1199366"	409.863901	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+ACN+2H"	43.041102
"191143"	1598.34456	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+2Na-H"	44.97116
"635084"	2375.03126	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+2Na-H"	44.97116
"1136769"	821.65786	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2Na-H"	44.97116
"186259"	799.675918	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+2Na"	45.978436
"623630"	1188.019268	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+2Na"	45.978436
"1127137"	411.332568	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2Na"	45.978436
"1407380"	274.557470666667	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H+2Na"	46.985712
"1439496"	823.699446	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H+HCOOH"	47.012746
"223722"	804.70894	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+3H2O+2H"	56.04448
"1517260"	837.75149	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+IsoProp+H"	61.06479
"422413"	807.662888	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+Na+K"	61.952376
"780132"	1196.006238	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+Na+K"	61.952376
"1672086"	419.319538	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Na+K"	61.952376
"262981"	1617.389168	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+ACN+Na"	64.015768
"1239457"	840.702468	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+ACN+Na"	64.015768
"1723482"	840.725993	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+NH4+HCOOH"	64.039293
"1180820"	281.884784666667	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+3Na"	68.967654
"1649922"	845.681388	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Na+HCOOH"	68.994688
"159399"	1630.29244	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+2K-H"	76.91904
"607351"	2406.97914	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+2K-H"	76.91904
"1094049"	853.60574	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2K-H"	76.91904
"149773"	815.649858	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"2M+2K"	77.926316
"588237"	1203.993208	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"3M+2K"	77.926316
"1077127"	427.306508	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2K"	77.926316
"1108148"	855.620292	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2K+H"	78.933592
"1347817"	855.707907	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+DMSO+H"	79.021207
"1013065"	859.747076	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2ACN+H"	83.060376
"1534471"	860.740708	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+IsoProp+Na+H"	84.054008
"993260"	430.377176	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+2ACN+2H"	84.067652
"1588860"	861.655328	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+K+HCOOH"	84.968628
"1419988"	891.686838	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+H+CF3COOH"	115.000138
"1161820"	450.890451	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+3ACN+2H"	125.094202
"1706388"	908.713385	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+NH4+CF3COOH"	132.026685
"1638758"	913.66878	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+Na+CF3COOH"	136.98208
"1582067"	929.64272	"C01829"	"Thyroxine;Levothyroxin;L-Thyroxine;O-(4-Hydroxy-35-diidophenyl)-35-diiodo-L-tyrosine;3535-Tetraiodo-L-thyronine;T4"	"C15H11I4NO4"	"776.6867"	"M+K+CF3COOH"	152.95602
"812433"	949.2823	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M"	0
"982684"	930.26391	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-H2O-H"	-19.01839
"76400"	631.847590666667	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M-3H"	-3.021828
"510491"	948.275024	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M-3H"	-3.021828
"890482"	315.420157333333	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-3H"	-3.021828
"14527"	948.275024	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M-2H"	-2.014552
"454098"	1422.916174	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M-2H"	-2.014552
"828616"	473.633874	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-2H"	-2.014552
"87514"	1897.557324	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M-H"	-1.007276
"532665"	2846.839624	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M-H"	-1.007276
"910107"	948.275024	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-H"	-1.007276
"59982"	1914.583871	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M-2H+NH4"	16.019271
"501977"	2863.866171	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M-2H+NH4"	16.019271
"879417"	965.301571	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-2H+NH4"	16.019271
"46915"	1919.539266	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M-2H+Na"	20.974666
"485773"	2868.821566	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M-2H+Na"	20.974666
"863453"	970.256966	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-2H+Na"	20.974666
"1631407"	970.256966	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Na-2H"	20.974666
"108670"	966.263363	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M-H+Cl"	33.962126
"548229"	1440.904513	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M-H+Cl"	33.962126
"939920"	491.622213	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-H+Cl"	33.962126
"276289"	1933.534002	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+Cl"	34.969402
"672963"	2882.816302	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+Cl"	34.969402
"1284396"	984.251702	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Cl"	34.969402
"25860"	1935.513206	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M-2H+K"	36.948606
"462140"	2884.795506	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M-2H+K"	36.948606
"837755"	986.230906	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-2H+K"	36.948606
"1560510"	986.230906	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+K-2H"	36.948606
"945114"	994.280494	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-H+HCOOH"	44.998194
"362600"	1943.562801	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+HCOOH-H"	44.998201
"348307"	1957.578451	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+Hac-H"	59.013851
"1494340"	1008.296151	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Hac-H"	59.013851
"959938"	1016.262451	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-H+NaCOOH"	66.980151
"119417"	984.251702	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+2Cl"	69.938804
"557154"	1458.892852	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+2Cl"	69.938804
"1023765"	509.610552	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2Cl"	69.938804
"1243709"	1028.201185	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Br"	78.918885
"1312357"	1030.257172	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Cl+HCOOH"	80.974872
"1325112"	1052.239129	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Cl+NaCOOH"	102.956829
"914356"	1062.267886	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M-H+CF3COOH"	112.985586
"1290697"	1098.244564	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Cl+CF3COOH"	148.962264
"1373601"	914.269624	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H-2H2O"	-35.012676
"1390004"	932.2796	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H-H2O"	-17.0027
"298076"	1899.571876	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+H"	1.007276
"684299"	2848.854176	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+H"	1.007276
"1355181"	950.289576	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H"	1.007276
"134633"	950.289576	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+2H"	2.014552
"570912"	1424.930726	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+2H"	2.014552
"1042993"	475.648426	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2H"	2.014552
"216363"	633.862142666667	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+3H"	3.021828
"651550"	950.289576	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+3H"	3.021828
"1175143"	317.434709333333	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+3H"	3.021828
"434043"	1916.598423	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+NH4"	18.033823
"795038"	2865.880723	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+NH4"	18.033823
"1685900"	967.316123	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+NH4"	18.033823
"334543"	958.8028495	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+H+NH4"	19.041099
"730974"	1433.4439995	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+H+NH4"	19.041099
"1481515"	484.1616995	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H+NH4"	19.041099
"402381"	1921.553818	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+Na"	22.989218
"760095"	2870.836118	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+Na"	22.989218
"1612568"	972.271518	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Na"	22.989218
"320416"	961.280547	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+H+Na"	23.996494
"717213"	1435.921697	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+H+Na"	23.996494
"1469938"	486.639397	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H+Na"	23.996494
"1059904"	324.762023333333	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2H+Na"	25.00377
"1263771"	982.315786	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+CH3OH+H"	33.033486
"388541"	1937.527758	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+K"	38.963158
"750993"	2886.810058	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+K"	38.963158
"1544297"	988.245458	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+K"	38.963158
"300746"	969.267517	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+H+K"	39.970434
"694259"	1443.908667	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+H+K"	39.970434
"1449901"	494.626367	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H+K"	39.970434
"238137"	1940.598426	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+ACN+H"	42.033826
"1211573"	991.316126	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+ACN+H"	42.033826
"1195700"	496.161701	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+ACN+2H"	43.041102
"190028"	1943.53576	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+2Na-H"	44.97116
"634100"	2892.81806	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+2Na-H"	44.97116
"1140523"	994.25346	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2Na-H"	44.97116
"179076"	972.271518	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+2Na"	45.978436
"617542"	1446.912668	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+2Na"	45.978436
"1118862"	497.630368	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2Na"	45.978436
"1401291"	332.089337333333	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H+2Na"	46.985712
"1434139"	996.295046	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H+HCOOH"	47.012746
"220916"	977.30454	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+3H2O+2H"	56.04448
"1516276"	1010.34709	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+IsoProp+H"	61.06479
"418150"	980.258488	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+Na+K"	61.952376
"780240"	1454.899638	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+Na+K"	61.952376
"1671103"	505.617338	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Na+K"	61.952376
"260904"	1962.580368	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+ACN+Na"	64.015768
"1236893"	1013.298068	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+ACN+Na"	64.015768
"1721405"	1013.321593	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+NH4+HCOOH"	64.039293
"1181659"	339.416651333333	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+3Na"	68.967654
"1650010"	1018.276988	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Na+HCOOH"	68.994688
"157231"	1975.48364	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+2K-H"	76.91904
"597732"	2924.76594	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+2K-H"	76.91904
"1084216"	1026.20134	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2K-H"	76.91904
"141425"	988.245458	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"2M+2K"	77.926316
"581406"	1462.886608	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"3M+2K"	77.926316
"1075044"	513.604308	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2K"	77.926316
"1100963"	1028.215892	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2K+H"	78.933592
"1350240"	1028.303507	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+DMSO+H"	79.021207
"1020590"	1032.342676	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2ACN+H"	83.060376
"1539323"	1033.336308	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+IsoProp+Na+H"	84.054008
"1003825"	516.674976	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+2ACN+2H"	84.067652
"1601730"	1034.250928	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+K+HCOOH"	84.968628
"1429580"	1064.282438	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+H+CF3COOH"	115.000138
"1162418"	537.188251	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+3ACN+2H"	125.094202
"1706498"	1081.308985	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+NH4+CF3COOH"	132.026685
"1644337"	1086.26438	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+Na+CF3COOH"	136.98208
"1582177"	1102.23832	"C01832"	"Lauroyl-CoA;Lauroyl coenzyme A;Dodecanoyl-CoA"	"C33H58N7O17P3S"	"949.2823"	"M+K+CF3COOH"	152.95602
"809261"	285.1689	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M"	0
"986075"	266.15051	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-H2O-H"	-19.01839
"68851"	189.105324	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M-3H"	-3.021828
"505130"	284.161624	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M-3H"	-3.021828
"887313"	94.049024	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-3H"	-3.021828
"8076"	284.161624	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M-2H"	-2.014552
"452018"	426.746074	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M-2H"	-2.014552
"829819"	141.577174	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-2H"	-2.014552
"90904"	569.330524	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M-H"	-1.007276
"533751"	854.499424	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M-H"	-1.007276
"909848"	284.161624	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-H"	-1.007276
"57174"	586.357071	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M-2H+NH4"	16.019271
"501843"	871.525971	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M-2H+NH4"	16.019271
"878183"	301.188171	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-2H+NH4"	16.019271
"45721"	591.312466	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M-2H+Na"	20.974666
"484183"	876.481366	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M-2H+Na"	20.974666
"862834"	306.143566	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-2H+Na"	20.974666
"1631518"	306.143566	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Na-2H"	20.974666
"107927"	302.149963	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M-H+Cl"	33.962126
"545421"	444.734413	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M-H+Cl"	33.962126
"937843"	159.565513	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-H+Cl"	33.962126
"276399"	605.307202	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+Cl"	34.969402
"673193"	890.476102	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+Cl"	34.969402
"1283414"	320.138302	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Cl"	34.969402
"24877"	607.286406	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M-2H+K"	36.948606
"462250"	892.455306	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M-2H+K"	36.948606
"837865"	322.117506	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-2H+K"	36.948606
"1556976"	322.117506	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+K-2H"	36.948606
"945953"	330.167094	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-H+HCOOH"	44.998194
"363074"	615.336001	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+HCOOH-H"	44.998201
"346594"	629.351651	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+Hac-H"	59.013851
"1493966"	344.182751	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Hac-H"	59.013851
"959686"	352.149051	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-H+NaCOOH"	66.980151
"115518"	320.138302	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+2Cl"	69.938804
"556172"	462.722752	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+2Cl"	69.938804
"1023879"	177.553852	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2Cl"	69.938804
"1242242"	364.087785	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Br"	78.918885
"1313560"	366.143772	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Cl+HCOOH"	80.974872
"1323763"	388.125729	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Cl+NaCOOH"	102.956829
"913001"	398.154486	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M-H+CF3COOH"	112.985586
"1290441"	434.131164	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Cl+CF3COOH"	148.962264
"1369336"	250.156224	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H-2H2O"	-35.012676
"1386833"	268.1662	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H-H2O"	-17.0027
"293082"	571.345076	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+H"	1.007276
"681129"	856.513976	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+H"	1.007276
"1355291"	286.176176	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H"	1.007276
"130368"	286.176176	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+2H"	2.014552
"572115"	428.760626	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+2H"	2.014552
"1045287"	143.591726	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2H"	2.014552
"216473"	191.119876	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+3H"	3.021828
"652752"	286.176176	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+3H"	3.021828
"1170878"	96.063576	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+3H"	3.021828
"430872"	588.371623	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+NH4"	18.033823
"794055"	873.540523	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+NH4"	18.033823
"1686011"	303.202723	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+NH4"	18.033823
"338662"	294.6894495	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+H+NH4"	19.041099
"733271"	437.2738995	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+H+NH4"	19.041099
"1481625"	152.1049995	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H+NH4"	19.041099
"399211"	593.327018	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+Na"	22.989218
"763485"	878.495918	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+Na"	22.989218
"1609397"	308.158118	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Na"	22.989218
"316881"	297.167147	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+H+Na"	23.996494
"710762"	439.751597	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+H+Na"	23.996494
"1468957"	154.582697	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H+Na"	23.996494
"1057828"	103.39089	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2H+Na"	25.00377
"1262788"	318.202386	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+CH3OH+H"	33.033486
"385736"	609.300958	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+K"	38.963158
"748918"	894.469858	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+K"	38.963158
"1547688"	324.132058	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+K"	38.963158
"303773"	305.154117	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+H+K"	39.970434
"692913"	447.738567	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+H+K"	39.970434
"1450012"	162.569667	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H+K"	39.970434
"236426"	612.371626	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+ACN+H"	42.033826
"1210591"	327.202726	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+ACN+H"	42.033826
"1195081"	164.105001	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+ACN+2H"	43.041102
"190625"	615.30896	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+2Na-H"	44.97116
"634208"	900.47786	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+2Na-H"	44.97116
"1136621"	330.14006	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2Na-H"	44.97116
"176994"	308.158118	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+2Na"	45.978436
"615463"	450.742568	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+2Na"	45.978436
"1119698"	165.573668	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2Na"	45.978436
"1401035"	110.718204	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H+2Na"	46.985712
"1434247"	332.181646	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H+HCOOH"	47.012746
"225036"	313.19114	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+3H2O+2H"	56.04448
"1512008"	346.23369	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+IsoProp+H"	61.06479
"419353"	316.145088	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+Na+K"	61.952376
"781444"	458.729538	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+Na+K"	61.952376
"1673400"	173.560638	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Na+K"	61.952376
"259919"	634.353568	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+ACN+Na"	64.015768
"1237003"	349.184668	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+ACN+Na"	64.015768
"1721515"	349.208193	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+NH4+HCOOH"	64.039293
"1182495"	118.045518	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+3Na"	68.967654
"1649942"	354.163588	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Na+HCOOH"	68.994688
"158032"	647.25684	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+2K-H"	76.91904
"598086"	932.42574	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+2K-H"	76.91904
"1085384"	362.08794	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2K-H"	76.91904
"141437"	324.132058	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"2M+2K"	77.926316
"582248"	466.716508	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"3M+2K"	77.926316
"1075154"	181.547608	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2K"	77.926316
"1101073"	364.102492	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2K+H"	78.933592
"1350105"	364.190107	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+DMSO+H"	79.021207
"1019971"	368.229276	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2ACN+H"	83.060376
"1538947"	369.222908	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+IsoProp+Na+H"	84.054008
"1004179"	184.618276	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+2ACN+2H"	84.067652
"1601840"	370.137528	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+K+HCOOH"	84.968628
"1429206"	400.169038	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+H+CF3COOH"	115.000138
"1162649"	205.131551	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+3ACN+2H"	125.094202
"1705515"	417.195585	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+NH4+CF3COOH"	132.026685
"1647727"	422.15098	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+Na+CF3COOH"	136.98208
"1582287"	438.12492	"C01833"	"Leu-Gly-Pro"	"C13H23N3O4"	"285.1689"	"M+K+CF3COOH"	152.95602
"812653"	504.169	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M"	0
"979626"	485.15061	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"66776"	335.105390666667	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"508527"	503.161724	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"894716"	167.049057333333	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"13661"	503.161724	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"455168"	755.246224	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"832362"	251.077224	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"94057"	1007.330724	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"533980"	1511.499724	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"910689"	503.161724	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"62027"	1024.357271	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"502563"	1528.526271	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"879148"	520.188271	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"45338"	1029.312666	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"485383"	1533.481666	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"863919"	525.143666	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1632600"	525.143666	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"109780"	521.150063	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"546624"	773.234563	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"942744"	269.065563	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"281733"	1043.307402	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"670024"	1547.476402	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1281337"	539.138402	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"22799"	1045.286606	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"461264"	1549.455606	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"839063"	541.117606	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1557814"	541.117606	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"945333"	549.167194	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"364278"	1053.336201	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"350349"	1067.351851	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1501369"	563.182851	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"962349"	571.149151	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"111496"	539.138402	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"552272"	791.222902	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1027269"	287.053902	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1242716"	583.087885	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1305894"	585.143872	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1320593"	607.125829	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"913114"	617.154586	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1291286"	653.131264	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1370541"	469.156324	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1383784"	487.1663	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"287726"	1009.345276	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"681240"	1513.514276	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1356497"	505.176276	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"135947"	505.176276	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"571132"	757.260776	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1045401"	253.091776	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"215489"	337.119942666667	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"653956"	505.176276	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1174272"	169.063609333333	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"434263"	1026.371823	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"797445"	1530.540823	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1689401"	522.202823	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"339864"	513.6895495	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"735568"	765.7740495	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1485015"	261.6050495	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"401508"	1031.327218	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"764690"	1535.496218	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1609507"	527.158218	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"320638"	516.167247	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"711966"	768.251747	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1471254"	264.082747	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1061221"	176.390923333333	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1262900"	537.202486	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"389128"	1047.301158	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"747936"	1551.470158	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1546706"	543.132158	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"302790"	524.154217	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"696303"	776.238717	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1447936"	272.069717	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"238724"	1050.371826	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1211433"	546.202826	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1195437"	273.605051	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"194758"	1053.30916	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"633224"	1557.47816	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1136734"	549.14016	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"182211"	527.158218	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"617398"	779.242718	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1119812"	275.073718	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1406618"	183.718237333333	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1436548"	551.181746	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"226246"	532.19124	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1514311"	565.23379	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"415087"	535.145188	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"784836"	787.229688	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1674605"	283.060688	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"256751"	1072.353768	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1230918"	568.184768	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1718346"	568.208293	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1181517"	191.045551333333	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1653596"	573.163688	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"157775"	1085.25704	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"598071"	1589.42604	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1084523"	581.08804	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"144630"	543.132158	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"581996"	795.216658	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1075264"	291.047658	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1113706"	583.102592	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1349970"	583.190207	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1020080"	587.229376	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1530428"	588.223008	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"1003436"	294.118326	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1596846"	589.137628	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1421412"	619.169138	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1154981"	314.631601	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1710001"	636.195685	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1644560"	641.15108	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1585678"	657.12502	"C01835"	"Maltotriose;Amylotriose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"806205"	75.032	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M"	0
"976455"	56.01361	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-H2O-H"	-19.01839
"72356"	49.0140573333333	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M-3H"	-3.021828
"514111"	74.024724	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M-3H"	-3.021828
"895239"	24.0033906666667	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-3H"	-3.021828
"12676"	74.024724	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M-2H"	-2.014552
"452237"	111.540724	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M-2H"	-2.014552
"831132"	36.508724	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-2H"	-2.014552
"92218"	149.056724	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M-H"	-1.007276
"533728"	224.088724	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M-H"	-1.007276
"910800"	74.024724	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-H"	-1.007276
"58487"	166.083271	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M-2H+NH4"	16.019271
"500235"	241.115271	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M-2H+NH4"	16.019271
"871475"	91.051271	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-2H+NH4"	16.019271
"45328"	171.038666	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M-2H+Na"	20.974666
"486143"	246.070666	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M-2H+Na"	20.974666
"861110"	96.006666	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-2H+Na"	20.974666
"1633968"	96.006666	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Na-2H"	20.974666
"106078"	92.013063	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M-H+Cl"	33.962126
"542359"	129.529063	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M-H+Cl"	33.962126
"930406"	54.497063	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-H+Cl"	33.962126
"269328"	185.033402	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+Cl"	34.969402
"667948"	260.065402	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+Cl"	34.969402
"1283632"	110.001402	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Cl"	34.969402
"21815"	187.012606	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M-2H+K"	36.948606
"464656"	262.044606	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M-2H+K"	36.948606
"835893"	111.980606	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-2H+K"	36.948606
"1556468"	111.980606	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+K-2H"	36.948606
"950547"	120.030194	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-H+HCOOH"	44.998194
"375325"	195.062201	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+HCOOH-H"	44.998201
"354833"	209.077851	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+Hac-H"	59.013851
"1494919"	134.045851	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Hac-H"	59.013851
"966834"	142.012151	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-H+NaCOOH"	66.980151
"110998"	110.001402	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+2Cl"	69.938804
"558580"	147.517402	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+2Cl"	69.938804
"1022277"	72.485402	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2Cl"	69.938804
"1248052"	153.950885	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Br"	78.918885
"1305392"	156.006872	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Cl+HCOOH"	80.974872
"1320097"	177.988829	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Cl+NaCOOH"	102.956829
"913592"	188.017586	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M-H+CF3COOH"	112.985586
"1294677"	223.994264	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Cl+CF3COOH"	148.962264
"1368463"	40.019324	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H-2H2O"	-35.012676
"1387055"	58.0293	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H-H2O"	-17.0027
"293302"	151.071276	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+H"	1.007276
"680257"	226.103276	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+H"	1.007276
"1355513"	76.039276	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H"	1.007276
"134964"	76.039276	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+2H"	2.014552
"570147"	113.555276	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+2H"	2.014552
"1050979"	38.523276	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2H"	2.014552
"216695"	51.0286093333333	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+3H"	3.021828
"654070"	76.039276	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+3H"	3.021828
"1173288"	26.0179426666667	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+3H"	3.021828
"432186"	168.097823	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+NH4"	18.033823
"798649"	243.129823	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+NH4"	18.033823
"1691698"	93.065823	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+NH4"	18.033823
"343622"	84.5525495	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+H+NH4"	19.041099
"730209"	122.0685495	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+H+NH4"	19.041099
"1485124"	47.0365495	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H+NH4"	19.041099
"401617"	173.053218	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+Na"	22.989218
"764799"	248.085218	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+Na"	22.989218
"1613992"	98.021218	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Na"	22.989218
"322936"	87.030247	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+H+Na"	23.996494
"717546"	124.546247	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+H+Na"	23.996494
"1470274"	49.514247	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H+Na"	23.996494
"1063519"	33.3452566666667	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2H+Na"	25.00377
"1268476"	108.065486	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+CH3OH+H"	33.033486
"382676"	189.027158	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+K"	38.963158
"741486"	264.059158	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+K"	38.963158
"1542805"	113.995158	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+K"	38.963158
"303991"	95.017217	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+H+K"	39.970434
"697508"	132.533217	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+H+K"	39.970434
"1447317"	57.501217	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H+K"	39.970434
"237014"	192.097826	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+ACN+H"	42.033826
"1211055"	117.065826	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+ACN+H"	42.033826
"1199810"	59.036551	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+ACN+2H"	43.041102
"193045"	195.03516	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+2Na-H"	44.97116
"633701"	270.06716	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+2Na-H"	44.97116
"1136479"	120.00316	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2Na-H"	44.97116
"179770"	98.021218	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+2Na"	45.978436
"622977"	135.537218	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+2Na"	45.978436
"1121017"	60.505218	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2Na"	45.978436
"1407821"	40.6725706666667	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H+2Na"	46.985712
"1435563"	122.044746	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H+HCOOH"	47.012746
"226353"	103.05424	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+3H2O+2H"	56.04448
"1513327"	136.09679	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+IsoProp+H"	61.06479
"410827"	106.008188	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+Na+K"	61.952376
"776562"	143.524188	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+Na+K"	61.952376
"1675809"	68.492188	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Na+K"	61.952376
"259050"	214.079768	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+ACN+Na"	64.015768
"1236131"	139.047768	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+ACN+Na"	64.015768
"1718093"	139.071293	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+NH4+HCOOH"	64.039293
"1184179"	47.9998846666667	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+3Na"	68.967654
"1651641"	144.026688	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Na+HCOOH"	68.994688
"160935"	226.98304	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+2K-H"	76.91904
"602318"	302.01504	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+2K-H"	76.91904
"1085491"	151.95104	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2K-H"	76.91904
"144740"	113.995158	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"2M+2K"	77.926316
"581988"	151.511158	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"3M+2K"	77.926316
"1082673"	76.479158	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2K"	77.926316
"1108592"	153.965592	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2K+H"	78.933592
"1348864"	154.053207	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+DMSO+H"	79.021207
"1015691"	158.092376	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2ACN+H"	83.060376
"1532724"	159.086008	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+IsoProp+Na+H"	84.054008
"1000265"	79.549826	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+2ACN+2H"	84.067652
"1593675"	160.000628	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+K+HCOOH"	84.968628
"1421522"	190.032138	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+H+CF3COOH"	115.000138
"1162631"	100.063101	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+3ACN+2H"	125.094202
"1706833"	207.058685	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+NH4+CF3COOH"	132.026685
"1644670"	212.01408	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+Na+CF3COOH"	136.98208
"1582509"	227.98802	"C01837"	"Nitroethane"	"C2H5NO2"	"75.032"	"M+K+CF3COOH"	152.95602
"803032"	268.2766	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M"	0
"974305"	249.25821	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-H2O-H"	-19.01839
"69186"	177.843790666667	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M-3H"	-3.021828
"516043"	267.269324	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M-3H"	-3.021828
"893119"	88.4182573333333	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-3H"	-3.021828
"10599"	267.269324	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M-2H"	-2.014552
"451253"	401.407624	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M-2H"	-2.014552
"829055"	133.131024	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-2H"	-2.014552
"91234"	535.545924	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M-H"	-1.007276
"528609"	803.822524	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M-H"	-1.007276
"908597"	267.269324	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-H"	-1.007276
"58597"	552.572471	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M-2H+NH4"	16.019271
"495971"	820.849071	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M-2H+NH4"	16.019271
"877780"	284.295871	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-2H+NH4"	16.019271
"44950"	557.527866	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M-2H+Na"	20.974666
"482322"	825.804466	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M-2H+Na"	20.974666
"862315"	289.251266	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-2H+Na"	20.974666
"1626379"	289.251266	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Na-2H"	20.974666
"101814"	285.257663	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M-H+Cl"	33.962126
"539553"	419.395963	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M-H+Cl"	33.962126
"928693"	151.119363	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-H+Cl"	33.962126
"268344"	571.522602	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+Cl"	34.969402
"666965"	839.799202	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+Cl"	34.969402
"1279369"	303.246002	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Cl"	34.969402
"20832"	573.501806	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M-2H+K"	36.948606
"461485"	841.778406	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M-2H+K"	36.948606
"836004"	305.225206	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-2H+K"	36.948606
"1556578"	305.225206	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+K-2H"	36.948606
"950657"	313.274794	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-H+HCOOH"	44.998194
"375435"	581.551401	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+HCOOH-H"	44.998201
"353850"	595.567051	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+Hac-H"	59.013851
"1493207"	327.290451	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Hac-H"	59.013851
"964757"	335.256751	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-H+NaCOOH"	66.980151
"110151"	303.246002	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+2Cl"	69.938804
"556504"	437.384302	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+2Cl"	69.938804
"1022751"	169.107702	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2Cl"	69.938804
"1248162"	347.195485	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Br"	78.918885
"1305504"	349.251472	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Cl+HCOOH"	80.974872
"1320814"	371.233429	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Cl+NaCOOH"	102.956829
"912245"	381.262186	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M-H+CF3COOH"	112.985586
"1290048"	417.238864	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Cl+CF3COOH"	148.962264
"1367965"	233.263924	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H-2H2O"	-35.012676
"1387165"	251.2739	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H-H2O"	-17.0027
"286852"	537.560476	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+H"	1.007276
"680368"	805.837076	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+H"	1.007276
"1352343"	269.283876	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H"	1.007276
"135074"	269.283876	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+2H"	2.014552
"570257"	403.422176	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+2H"	2.014552
"1043433"	135.145576	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2H"	2.014552
"212429"	179.858342666667	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+3H"	3.021828
"649804"	269.283876	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+3H"	3.021828
"1173398"	90.4328093333333	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+3H"	3.021828
"432296"	554.587023	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+NH4"	18.033823
"793292"	822.863623	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+NH4"	18.033823
"1688528"	286.310423	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+NH4"	18.033823
"341180"	277.7971495	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+H+NH4"	19.041099
"730319"	411.9354495	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+H+NH4"	19.041099
"1484141"	143.6588495	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H+NH4"	19.041099
"403914"	559.542418	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+Na"	22.989218
"760533"	827.819018	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+Na"	22.989218
"1611914"	291.265818	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Na"	22.989218
"320859"	280.274847	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+H+Na"	23.996494
"718749"	414.413147	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+H+Na"	23.996494
"1467103"	146.136547	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H+Na"	23.996494
"1063629"	97.7601233333333	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2H+Na"	25.00377
"1267493"	301.310086	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+CH3OH+H"	33.033486
"382788"	575.516358	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+K"	38.963158
"739528"	843.792958	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+K"	38.963158
"1541458"	307.239758	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+K"	38.963158
"303008"	288.261817	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+H+K"	39.970434
"694339"	422.400117	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+H+K"	39.970434
"1446576"	154.123517	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H+K"	39.970434
"237121"	578.587026	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+ACN+H"	42.033826
"1211650"	310.310426	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+ACN+H"	42.033826
"1197734"	155.658851	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+ACN+2H"	43.041102
"189996"	581.52436	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+2Na-H"	44.97116
"631623"	849.80096	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+2Na-H"	44.97116
"1134767"	313.24776	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2Na-H"	44.97116
"179152"	291.265818	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+2Na"	45.978436
"615796"	425.404118	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+2Na"	45.978436
"1118940"	157.127518	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2Na"	45.978436
"1404651"	105.087437333333	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H+2Na"	46.985712
"1438953"	315.289346	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H+HCOOH"	47.012746
"228650"	296.29884	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+3H2O+2H"	56.04448
"1513437"	329.34139	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+IsoProp+H"	61.06479
"412030"	299.252788	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+Na+K"	61.952376
"775214"	433.391088	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+Na+K"	61.952376
"1677012"	165.114488	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Na+K"	61.952376
"257336"	600.568968	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+ACN+Na"	64.015768
"1232960"	332.292368	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+ACN+Na"	64.015768
"1714557"	332.315893	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+NH4+HCOOH"	64.039293
"1183925"	112.414751333333	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+3Na"	68.967654
"1652115"	337.271288	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Na+HCOOH"	68.994688
"160681"	613.47224	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+2K-H"	76.91904
"602428"	881.74884	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+2K-H"	76.91904
"1085601"	345.19564	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2K-H"	76.91904
"144850"	307.239758	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"2M+2K"	77.926316
"582099"	441.378058	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"3M+2K"	77.926316
"1083756"	173.101458	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2K"	77.926316
"1113076"	347.210192	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2K+H"	78.933592
"1350434"	347.297807	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+DMSO+H"	79.021207
"1015801"	351.336976	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2ACN+H"	83.060376
"1532834"	352.330608	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+IsoProp+Na+H"	84.054008
"1000375"	176.172126	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+2ACN+2H"	84.067652
"1593785"	353.245228	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+K+HCOOH"	84.968628
"1420539"	383.276738	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+H+CF3COOH"	115.000138
"1161643"	196.685401	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+3ACN+2H"	125.094202
"1706943"	400.303285	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+NH4+CF3COOH"	132.026685
"1644780"	405.25868	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+Na+CF3COOH"	136.98208
"1582619"	421.23262	"C01838"	"Octadecanal"	"C18H36O"	"268.2766"	"M+K+CF3COOH"	152.95602
"803506"	168.0423	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M"	0
"979959"	149.02391	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"76955"	111.020924	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"514332"	167.035024	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"892865"	55.006824	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"9618"	167.035024	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"455011"	251.056174	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"830989"	83.013874	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"91345"	335.077324	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"526532"	503.119624	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"906520"	167.035024	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"59558"	352.103871	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"491708"	520.146171	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"876069"	184.061571	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"36679"	357.059266	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"480247"	525.101566	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"859143"	189.016966	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1627583"	189.016966	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"96823"	185.023363	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"536746"	269.044513	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"930627"	101.002213	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"272465"	371.054002	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"667075"	539.096302	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1275104"	203.011702	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"20941"	373.033206	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"464877"	541.075506	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"833927"	204.990906	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1557051"	204.990906	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"950767"	213.040494	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"376275"	381.082801	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"355055"	395.098451	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1503886"	227.056151	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"970334"	235.022451	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"111587"	203.011702	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"556614"	287.032852	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1025413"	118.990552	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1248272"	246.961185	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1304925"	249.017172	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1320922"	270.999129	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"912720"	281.027886	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1291617"	317.004564	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1369047"	133.029624	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1385088"	151.0396	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"288055"	337.091876	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"676224"	505.134176	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1352814"	169.049576	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"135184"	169.049576	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"567451"	253.070726	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1039896"	85.028426	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"211446"	113.035476	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"656475"	169.049576	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1173508"	57.021376	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"438239"	354.118423	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"798505"	522.160723	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1691919"	186.076123	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"338010"	177.5628495	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"732614"	261.5839995	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1484251"	93.5416995	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"402931"	359.073818	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"759549"	527.116118	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1610931"	191.031518	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"319875"	180.040547	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"714484"	264.061697	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1471586"	96.019397	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1062645"	64.34869	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1268696"	201.075786	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"382899"	375.047758	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"740246"	543.090058	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1545942"	207.005458	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"302027"	188.027517	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"697729"	272.048667	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1446443"	104.006367	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"237355"	378.118426	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1211517"	210.076126	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1198572"	105.541701	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"189984"	381.05576	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"632099"	549.09806	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1135241"	213.01346	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"177074"	191.031518	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"618824"	275.052668	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1120143"	107.010368	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1408041"	71.676004	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1437970"	215.055046	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"225480"	196.06454	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1515733"	229.10709	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"413233"	199.018488	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"777511"	283.039638	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1672747"	114.997338	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"254530"	400.100368	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1234164"	232.058068	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1713326"	232.081593	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1180014"	79.003318	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1651132"	237.036988	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"159089"	413.00364	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"597671"	581.04594	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1084497"	244.96134	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"142895"	207.005458	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"581597"	291.026608	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1082893"	122.984308	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1115494"	246.975892	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1351280"	247.063507	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1017005"	251.102676	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1535131"	252.096308	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"999392"	126.054976	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1594988"	253.010928	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1420649"	283.042438	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1162482"	146.568251	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1707053"	300.068985	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1643797"	305.02438	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1582729"	320.99832	"C01839"	"Orsellinate;o-Orsellinic acid;24-Dihydroxy-6-methylbenzoic acid;24-Dihydroxy-6-methylbenzoate;46-Dihydroxy-o-toluic acid"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"804345"	204.1878	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M"	0
"976784"	185.16941	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75971"	135.117924	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"515171"	203.180524	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892608"	67.055324	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13373"	203.180524	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452933"	305.274424	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"829275"	101.086624	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"89268"	407.368324	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"529922"	611.556124	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"907359"	203.180524	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"53349"	424.394871	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"491818"	628.582671	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876786"	220.207071	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"36789"	429.350266	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"480357"	633.538066	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858159"	225.162466	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1621131"	225.162466	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97660"	221.168863	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"535762"	323.262763	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930737"	119.074963	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"270389"	443.345002	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"663904"	647.532802	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1274121"	239.157202	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"21051"	445.324206	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"463894"	649.512006	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"834037"	241.136406	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1556473"	241.136406	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"949784"	249.185994	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372374"	453.373801	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"355164"	467.389451	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1503996"	263.201651	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"971537"	271.167951	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"111332"	239.157202	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"560004"	341.251102	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1029897"	137.063302	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251662"	283.106685	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1308643"	285.162672	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1321398"	307.144629	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"917204"	317.173386	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1297194"	353.150064	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1371345"	169.175124	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1387385"	187.1851	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"289258"	409.382876	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"678401"	613.570676	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1355112"	205.195076	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H"	1.007276
"136387"	205.195076	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"569748"	307.288976	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041830"	103.101176	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"214836"	137.132476	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"655491"	205.195076	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1174711"	69.069876	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"437621"	426.409423	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799711"	630.597223	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695311"	222.221623	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"339212"	213.7083495	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"732724"	315.8022495	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1484722"	111.6144495	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"398666"	431.364818	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"760752"	635.552618	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611038"	227.177018	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321078"	216.186047	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"713499"	318.279947	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1471696"	114.092147	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1060567"	76.39719	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1264431"	237.221286	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"386287"	447.338758	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740355"	651.526558	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1542772"	243.150958	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+K"	38.963158
"301041"	224.173017	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"693465"	326.266917	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1446918"	122.079117	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"236493"	450.409426	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210213"	246.221626	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195399"	123.614451	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"189727"	453.34676	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"633664"	657.53456	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1134621"	249.15896	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"176453"	227.177018	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"616380"	329.270918	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122440"	125.083118	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1409246"	83.724504	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1436987"	251.200546	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"225590"	232.21004	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1515843"	265.25259	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"414437"	235.163988	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"776528"	337.257888	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1675044"	133.070088	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260474"	472.391368	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1236098"	268.203568	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714045"	268.227093	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179885"	91.051818	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1651121"	273.182488	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"157204"	485.29464	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"598148"	689.48244	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1084728"	281.10684	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"141908"	243.150958	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"581745"	345.244858	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1082882"	141.057058	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1115124"	283.121392	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1350540"	283.209007	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1014928"	287.248176	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1534148"	288.241808	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"999502"	144.127726	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1591089"	289.156428	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417843"	319.187938	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1161620"	164.641001	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1707163"	336.214485	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641720"	341.16988	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582839"	357.14382	"C01841"	"Pentalenene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804455"	101.0841	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M"	0
"976894"	82.06571	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-H2O-H"	-19.01839
"78519"	66.382124	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M-3H"	-3.021828
"517106"	100.076824	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M-3H"	-3.021828
"894422"	32.687424	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-3H"	-3.021828
"14577"	100.076824	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M-2H"	-2.014552
"453407"	150.618874	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M-2H"	-2.014552
"829387"	49.534774	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-2H"	-2.014552
"92658"	201.160924	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M-H"	-1.007276
"530032"	302.245024	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M-H"	-1.007276
"908925"	100.076824	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-H"	-1.007276
"58925"	218.187471	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M-2H+NH4"	16.019271
"497394"	319.271571	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M-2H+NH4"	16.019271
"877867"	117.103371	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-2H+NH4"	16.019271
"42000"	223.142866	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M-2H+Na"	20.974666
"478280"	324.226966	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M-2H+Na"	20.974666
"854988"	122.058766	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-2H+Na"	20.974666
"1620265"	122.058766	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Na-2H"	20.974666
"95947"	118.065163	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M-H+Cl"	33.962126
"535264"	168.607213	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M-H+Cl"	33.962126
"929388"	67.523113	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-H+Cl"	33.962126
"273779"	237.137602	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+Cl"	34.969402
"664014"	338.221702	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+Cl"	34.969402
"1277510"	136.053502	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Cl"	34.969402
"24441"	239.116806	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M-2H+K"	36.948606
"465097"	340.200906	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M-2H+K"	36.948606
"834268"	138.032706	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-2H+K"	36.948606
"1559823"	138.032706	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+K-2H"	36.948606
"948801"	146.082294	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-H+HCOOH"	44.998194
"372484"	247.166401	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+HCOOH-H"	44.998201
"360741"	261.182051	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+Hac-H"	59.013851
"1506292"	160.097951	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Hac-H"	59.013851
"969460"	168.064251	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-H+NaCOOH"	66.980151
"113995"	136.053502	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+2Cl"	69.938804
"563395"	186.595552	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+2Cl"	69.938804
"1031101"	85.511452	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2Cl"	69.938804
"1252867"	180.002985	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Br"	78.918885
"1312034"	182.058972	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Cl+HCOOH"	80.974872
"1319952"	204.040929	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Cl+NaCOOH"	102.956829
"915127"	214.069686	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M-H+CF3COOH"	112.985586
"1297304"	250.046364	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Cl+CF3COOH"	148.962264
"1371455"	66.071424	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H-2H2O"	-35.012676
"1390775"	84.0814	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H-H2O"	-17.0027
"291555"	203.175476	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+H"	1.007276
"681791"	304.259576	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+H"	1.007276
"1355953"	102.091376	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H"	1.007276
"136497"	102.091376	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+2H"	2.014552
"573868"	152.633426	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+2H"	2.014552
"1043761"	51.549326	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2H"	2.014552
"214946"	68.396676	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+3H"	3.021828
"655237"	102.091376	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+3H"	3.021828
"1175186"	34.701976	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+3H"	3.021828
"437000"	220.202023	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+NH4"	18.033823
"799818"	321.286123	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+NH4"	18.033823
"1695056"	119.117923	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+NH4"	18.033823
"341144"	110.6046495	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+H+NH4"	19.041099
"730647"	161.1466995	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+H+NH4"	19.041099
"1484103"	60.0625995	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H+NH4"	19.041099
"397682"	225.157418	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+Na"	22.989218
"758676"	326.241518	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+Na"	22.989218
"1607869"	124.073318	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Na"	22.989218
"320095"	113.082347	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+H+Na"	23.996494
"713609"	163.624397	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+H+Na"	23.996494
"1472899"	62.540297	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H+Na"	23.996494
"1061770"	42.02929	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2H+Na"	25.00377
"1264542"	134.117586	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+CH3OH+H"	33.033486
"386397"	241.131358	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+K"	38.963158
"740100"	342.215458	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+K"	38.963158
"1541059"	140.047258	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+K"	38.963158
"302244"	121.069317	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+H+K"	39.970434
"692482"	171.611367	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+H+K"	39.970434
"1445935"	70.527267	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H+K"	39.970434
"235995"	244.202026	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+ACN+H"	42.033826
"1210241"	143.117926	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+ACN+H"	42.033826
"1194403"	72.062601	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+ACN+2H"	43.041102
"189713"	247.13936	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+2Na-H"	44.97116
"630858"	348.22346	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+2Na-H"	44.97116
"1134731"	146.05526	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2Na-H"	44.97116
"176199"	124.073318	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+2Na"	45.978436
"617583"	174.615368	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+2Na"	45.978436
"1121457"	73.531268	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2Na"	45.978436
"1408262"	49.356604	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H+2Na"	46.985712
"1437097"	148.096846	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H+HCOOH"	47.012746
"225700"	129.10634	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+3H2O+2H"	56.04448
"1515223"	162.14889	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+IsoProp+H"	61.06479
"416733"	132.060288	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+Na+K"	61.952376
"781011"	182.602338	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+Na+K"	61.952376
"1674060"	81.518238	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Na+K"	61.952376
"263863"	266.183968	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+ACN+Na"	64.015768
"1238394"	165.099868	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+ACN+Na"	64.015768
"1715979"	165.123393	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+NH4+HCOOH"	64.039293
"1179995"	56.683918	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+3Na"	68.967654
"1652323"	170.078788	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Na+HCOOH"	68.994688
"157843"	279.08724	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+2K-H"	76.91904
"597408"	380.17134	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+2K-H"	76.91904
"1084755"	178.00314	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2K-H"	76.91904
"142058"	140.047258	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"2M+2K"	77.926316
"581697"	190.589308	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"3M+2K"	77.926316
"1082019"	89.505208	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2K"	77.926316
"1114869"	180.017692	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2K+H"	78.933592
"1350649"	180.105307	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+DMSO+H"	79.021207
"1013945"	184.144476	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2ACN+H"	83.060376
"1534258"	185.138108	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+IsoProp+Na+H"	84.054008
"999612"	92.575876	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+2ACN+2H"	84.067652
"1593021"	186.052728	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+K+HCOOH"	84.968628
"1416860"	216.084238	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+H+CF3COOH"	115.000138
"1161001"	113.089151	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+3ACN+2H"	125.094202
"1708368"	233.110785	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+NH4+CF3COOH"	132.026685
"1642923"	238.06618	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+Na+CF3COOH"	136.98208
"1582949"	254.04012	"C01842"	"Pentanamide;Valeramide"	"C5H11NO"	"101.0841"	"M+K+CF3COOH"	152.95602
"803475"	424.2461	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M"	0
"974818"	405.22771	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-H2O-H"	-19.01839
"78555"	281.823457333333	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M-3H"	-3.021828
"518405"	423.238824	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M-3H"	-3.021828
"895380"	140.408090666667	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-3H"	-3.021828
"15532"	423.238824	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M-2H"	-2.014552
"455662"	635.361874	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M-2H"	-2.014552
"832047"	211.115774	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-2H"	-2.014552
"93618"	847.484924	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M-H"	-1.007276
"530140"	1271.731024	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M-H"	-1.007276
"910252"	423.238824	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-H"	-1.007276
"59035"	864.511471	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M-2H+NH4"	16.019271
"490943"	1288.757571	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M-2H+NH4"	16.019271
"875303"	440.265371	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-2H+NH4"	16.019271
"41017"	869.466866	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M-2H+Na"	20.974666
"483857"	1293.712966	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M-2H+Na"	20.974666
"855098"	445.220766	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-2H+Na"	20.974666
"1622445"	445.220766	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Na-2H"	20.974666
"100068"	441.227163	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M-H+Cl"	33.962126
"535254"	653.350213	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M-H+Cl"	33.962126
"929128"	229.104113	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-H+Cl"	33.962126
"271703"	883.461602	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+Cl"	34.969402
"664124"	1307.707702	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+Cl"	34.969402
"1277620"	459.215502	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Cl"	34.969402
"21271"	885.440806	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M-2H+K"	36.948606
"465206"	1309.686906	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M-2H+K"	36.948606
"845194"	461.194706	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-2H+K"	36.948606
"1563215"	461.194706	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+K-2H"	36.948606
"954379"	469.244294	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-H+HCOOH"	44.998194
"373688"	893.490401	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+HCOOH-H"	44.998201
"360851"	907.506051	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+Hac-H"	59.013851
"1507862"	483.259951	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Hac-H"	59.013851
"972851"	491.226251	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-H+NaCOOH"	66.980151
"124796"	459.215502	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+2Cl"	69.938804
"565208"	671.338552	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+2Cl"	69.938804
"1032305"	247.092452	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2Cl"	69.938804
"1246416"	503.164985	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Br"	78.918885
"1312144"	505.220972	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Cl+HCOOH"	80.974872
"1320114"	527.202929	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Cl+NaCOOH"	102.956829
"914872"	537.231686	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M-H+CF3COOH"	112.985586
"1294134"	573.208364	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Cl+CF3COOH"	148.962264
"1378855"	389.233424	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H-2H2O"	-35.012676
"1390885"	407.2434	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H-H2O"	-17.0027
"291665"	849.499476	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+H"	1.007276
"685181"	1273.745576	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+H"	1.007276
"1358251"	425.253376	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H"	1.007276
"131138"	425.253376	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+2H"	2.014552
"570698"	637.376426	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+2H"	2.014552
"1044968"	213.130326	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2H"	2.014552
"215057"	283.838009333333	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+3H"	3.021828
"655711"	425.253376	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+3H"	3.021828
"1176392"	142.422642666667	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+3H"	3.021828
"437838"	866.526023	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+NH4"	18.033823
"798834"	1290.772123	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+NH4"	18.033823
"1693342"	442.279923	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+NH4"	18.033823
"340890"	433.7666495	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+H+NH4"	19.041099
"732944"	645.8896995	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+H+NH4"	19.041099
"1485671"	221.6435995	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H+NH4"	19.041099
"398888"	871.481418	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+Na"	22.989218
"760243"	1295.727518	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+Na"	22.989218
"1609072"	447.235318	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Na"	22.989218
"321299"	436.244347	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+H+Na"	23.996494
"713719"	648.367397	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+H+Na"	23.996494
"1468636"	224.121297	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H+Na"	23.996494
"1061880"	149.749956666667	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2H+Na"	25.00377
"1264652"	457.279586	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+CH3OH+H"	33.033486
"387601"	887.455358	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+K"	38.963158
"746410"	1311.701458	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+K"	38.963158
"1549555"	463.209258	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+K"	38.963158
"310011"	444.231317	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+H+K"	39.970434
"696964"	656.354367	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+H+K"	39.970434
"1447505"	232.108267	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H+K"	39.970434
"236105"	890.526026	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+ACN+H"	42.033826
"1210151"	466.279926	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+ACN+H"	42.033826
"1194226"	233.643601	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+ACN+2H"	43.041102
"193231"	893.46336	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+2Na-H"	44.97116
"629506"	1317.70946	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+2Na-H"	44.97116
"1133016"	469.21726	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2Na-H"	44.97116
"178862"	447.235318	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+2Na"	45.978436
"615504"	659.358368	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+2Na"	45.978436
"1120835"	235.112268	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2Na"	45.978436
"1403997"	157.077270666667	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H+2Na"	46.985712
"1433927"	471.258846	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H+HCOOH"	47.012746
"222529"	452.26834	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+3H2O+2H"	56.04448
"1513873"	485.31089	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+IsoProp+H"	61.06479
"411737"	455.222288	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+Na+K"	61.952376
"773098"	667.345338	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+Na+K"	61.952376
"1674169"	243.099238	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Na+K"	61.952376
"264702"	912.507968	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+ACN+Na"	64.015768
"1227566"	488.261868	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+ACN+Na"	64.015768
"1716817"	488.285393	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+NH4+HCOOH"	64.039293
"1178687"	164.404584666667	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+3Na"	68.967654
"1651342"	493.240788	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Na+HCOOH"	68.994688
"157138"	925.41124	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+2K-H"	76.91904
"597519"	1349.65734	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+2K-H"	76.91904
"1084336"	501.16514	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2K-H"	76.91904
"144198"	463.209258	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"2M+2K"	77.926316
"596737"	675.332308	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"3M+2K"	77.926316
"1081036"	251.086208	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2K"	77.926316
"1114854"	503.179692	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2K+H"	78.933592
"1346619"	503.267307	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+DMSO+H"	79.021207
"1016241"	507.306476	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2ACN+H"	83.060376
"1532181"	508.300108	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+IsoProp+Na+H"	84.054008
"997535"	254.156876	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+2ACN+2H"	84.067652
"1593131"	509.214728	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+K+HCOOH"	84.968628
"1425355"	539.246238	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+H+CF3COOH"	115.000138
"1161111"	274.670151	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+3ACN+2H"	125.094202
"1708478"	556.272785	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+NH4+CF3COOH"	132.026685
"1647409"	561.22818	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+Na+CF3COOH"	136.98208
"1583060"	577.20212	"C01844"	"Pravastatin"	"C23H36O7"	"424.2461"	"M+K+CF3COOH"	152.95602
"806865"	60.0575	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M"	0
"974928"	41.03911	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-H2O-H"	-19.01839
"69736"	39.0310573333333	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M-3H"	-3.021828
"508204"	59.050224	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M-3H"	-3.021828
"894635"	19.0118906666667	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-3H"	-3.021828
"11145"	59.050224	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M-2H"	-2.014552
"447424"	89.078974	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M-2H"	-2.014552
"829240"	29.021474	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-2H"	-2.014552
"90327"	119.107724	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M-H"	-1.007276
"529159"	179.165224	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M-H"	-1.007276
"908054"	59.050224	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-H"	-1.007276
"58052"	136.134271	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M-2H+NH4"	16.019271
"491053"	196.191771	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M-2H+NH4"	16.019271
"875413"	76.076771	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-2H+NH4"	16.019271
"37118"	141.089666	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M-2H+Na"	20.974666
"483239"	201.147166	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M-2H+Na"	20.974666
"855208"	81.032166	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-2H+Na"	20.974666
"1621462"	81.032166	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Na-2H"	20.974666
"94704"	77.038563	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M-H+Cl"	33.962126
"537917"	107.067313	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M-H+Cl"	33.962126
"927780"	47.009813	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-H+Cl"	33.962126
"271813"	155.084402	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+Cl"	34.969402
"667514"	215.141902	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+Cl"	34.969402
"1277730"	95.026902	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Cl"	34.969402
"21381"	157.063606	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M-2H+K"	36.948606
"465318"	217.121106	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M-2H+K"	36.948606
"840932"	97.006106	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-2H+K"	36.948606
"1565512"	97.006106	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+K-2H"	36.948606
"954489"	105.055694	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-H+HCOOH"	44.998194
"370518"	165.113201	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+HCOOH-H"	44.998201
"351120"	179.128851	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+Hac-H"	59.013851
"1498858"	119.071351	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Hac-H"	59.013851
"965307"	127.037651	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-H+NaCOOH"	66.980151
"120775"	95.026902	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+2Cl"	69.938804
"560335"	125.055652	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+2Cl"	69.938804
"1026947"	64.998152	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2Cl"	69.938804
"1247619"	138.976385	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Br"	78.918885
"1310066"	141.032372	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Cl+HCOOH"	80.974872
"1319949"	163.014329	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Cl+NaCOOH"	102.956829
"913159"	173.043086	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M-H+CF3COOH"	112.985586
"1289868"	209.019764	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Cl+CF3COOH"	148.962264
"1377872"	25.044824	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H-2H2O"	-35.012676
"1386619"	43.0548	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H-H2O"	-17.0027
"286307"	121.122276	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+H"	1.007276
"682011"	181.179776	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+H"	1.007276
"1358361"	61.064776	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H"	1.007276
"130155"	61.064776	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+2H"	2.014552
"570808"	91.093526	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+2H"	2.014552
"1042892"	31.036026	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2H"	2.014552
"214074"	41.0456093333333	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+3H"	3.021828
"651446"	61.064776	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+3H"	3.021828
"1176501"	21.0264426666667	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+3H"	3.021828
"438191"	138.148823	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+NH4"	18.033823
"797851"	198.206323	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+NH4"	18.033823
"1692357"	78.091323	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+NH4"	18.033823
"343187"	69.5780495	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+H+NH4"	19.041099
"733784"	99.6067995	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+H+NH4"	19.041099
"1483960"	39.5492995	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H+NH4"	19.041099
"398998"	143.104218	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+Na"	22.989218
"761083"	203.161718	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+Na"	22.989218
"1608089"	83.046718	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Na"	22.989218
"321407"	72.055747	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+H+Na"	23.996494
"710549"	102.084497	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+H+Na"	23.996494
"1469839"	42.026997	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H+Na"	23.996494
"1061990"	28.3537566666667	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2H+Na"	25.00377
"1266949"	93.090986	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+CH3OH+H"	33.033486
"386618"	159.078158	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+K"	38.963158
"746520"	219.135658	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+K"	38.963158
"1551852"	99.020658	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+K"	38.963158
"307933"	80.042717	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+H+K"	39.970434
"695980"	110.071467	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+H+K"	39.970434
"1447615"	50.013967	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H+K"	39.970434
"238036"	162.148826	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+ACN+H"	42.033826
"1212205"	102.091326	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+ACN+H"	42.033826
"1194995"	51.549301	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+ACN+2H"	43.041102
"192247"	165.08616	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+2Na-H"	44.97116
"629617"	225.14366	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+2Na-H"	44.97116
"1134948"	105.02866	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2Na-H"	44.97116
"177879"	83.046718	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+2Na"	45.978436
"615614"	113.075468	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+2Na"	45.978436
"1120579"	53.017968	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2Na"	45.978436
"1402280"	35.6810706666667	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H+2Na"	46.985712
"1437317"	107.070246	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H+HCOOH"	47.012746
"223003"	88.07974	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+3H2O+2H"	56.04448
"1510702"	121.12229	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+IsoProp+H"	61.06479
"411482"	91.033688	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+Na+K"	61.952376
"772479"	121.062438	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+Na+K"	61.952376
"1674643"	61.004938	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Na+K"	61.952376
"260802"	184.130768	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+ACN+Na"	64.015768
"1225648"	124.073268	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+ACN+Na"	64.015768
"1713646"	124.096793	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+NH4+HCOOH"	64.039293
"1178500"	43.0083846666667	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+3Na"	68.967654
"1652180"	129.052188	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Na+HCOOH"	68.994688
"157199"	197.03404	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+2K-H"	76.91904
"597873"	257.09154	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+2K-H"	76.91904
"1084322"	136.97654	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2K-H"	76.91904
"145401"	99.020658	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"2M+2K"	77.926316
"596805"	129.049408	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"3M+2K"	77.926316
"1082603"	68.991908	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2K"	77.926316
"1113625"	138.991092	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2K+H"	78.933592
"1346729"	139.078707	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+DMSO+H"	79.021207
"1019266"	143.117876	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2ACN+H"	83.060376
"1534477"	144.111508	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+IsoProp+Na+H"	84.054008
"1000925"	72.062576	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+2ACN+2H"	84.067652
"1595428"	145.026128	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+K+HCOOH"	84.968628
"1426558"	175.057638	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+H+CF3COOH"	115.000138
"1159033"	92.575851	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+3ACN+2H"	125.094202
"1710774"	192.084185	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+NH4+CF3COOH"	132.026685
"1647519"	197.03958	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+Na+CF3COOH"	136.98208
"1583170"	213.01352	"C01845"	"Propan-2-ol;2-Propanol;Isopropanol;Isopropyl alcohol"	"C3H8O"	"60.0575"	"M+K+CF3COOH"	152.95602
"806975"	458.1203	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M"	0
"977226"	439.10191	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-H2O-H"	-19.01839
"69846"	304.406257333333	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M-3H"	-3.021828
"511593"	457.113024	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M-3H"	-3.021828
"889397"	151.699490666667	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-3H"	-3.021828
"13444"	457.113024	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M-2H"	-2.014552
"453003"	686.173174	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M-2H"	-2.014552
"830080"	228.052874	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-2H"	-2.014552
"92261"	915.233324	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M-H"	-1.007276
"531092"	1373.353624	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M-H"	-1.007276
"910678"	457.113024	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-H"	-1.007276
"61568"	932.259871	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M-2H+NH4"	16.019271
"500763"	1390.380171	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M-2H+NH4"	16.019271
"877958"	474.139571	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-2H+NH4"	16.019271
"44886"	937.215266	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M-2H+Na"	20.974666
"481893"	1395.335566	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M-2H+Na"	20.974666
"857508"	479.094966	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-2H+Na"	20.974666
"1628865"	479.094966	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Na-2H"	20.974666
"100290"	475.101363	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M-H+Cl"	33.962126
"539850"	704.161513	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M-H+Cl"	33.962126
"931176"	246.041213	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-H+Cl"	33.962126
"279577"	951.210002	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+Cl"	34.969402
"670904"	1409.330302	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+Cl"	34.969402
"1284401"	493.089702	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Cl"	34.969402
"26959"	953.189206	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M-2H+K"	36.948606
"469803"	1411.309506	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M-2H+K"	36.948606
"842137"	495.068906	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-2H+K"	36.948606
"1565624"	495.068906	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+K-2H"	36.948606
"956423"	503.118494	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-H+HCOOH"	44.998194
"373909"	961.238801	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+HCOOH-H"	44.998201
"360345"	975.254451	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+Hac-H"	59.013851
"1506993"	517.134151	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Hac-H"	59.013851
"973803"	525.100451	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-H+NaCOOH"	66.980151
"118700"	493.089702	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+2Cl"	69.938804
"559354"	722.149852	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+2Cl"	69.938804
"1033620"	264.029552	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2Cl"	69.938804
"1251010"	537.039185	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Br"	78.918885
"1314549"	539.095172	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Cl+HCOOH"	80.974872
"1322935"	561.077129	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Cl+NaCOOH"	102.956829
"914364"	571.105886	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M-H+CF3COOH"	112.985586
"1292166"	607.082564	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Cl+CF3COOH"	148.962264
"1377982"	423.107624	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H-2H2O"	-35.012676
"1388917"	441.1176	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H-H2O"	-17.0027
"294072"	917.247876	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+H"	1.007276
"685401"	1375.368176	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+H"	1.007276
"1358471"	459.127576	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H"	1.007276
"134639"	459.127576	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+2H"	2.014552
"572012"	688.187726	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+2H"	2.014552
"1044095"	230.067426	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2H"	2.014552
"214184"	306.420809333333	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+3H"	3.021828
"655930"	459.127576	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+3H"	3.021828
"1175151"	153.714042666667	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+3H"	3.021828
"438788"	934.274423	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+NH4"	18.033823
"800515"	1392.394723	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+NH4"	18.033823
"1695994"	476.154123	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+NH4"	18.033823
"341840"	467.6408495	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+H+NH4"	19.041099
"736446"	696.7009995	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+H+NH4"	19.041099
"1485896"	238.5806995	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H+NH4"	19.041099
"399108"	939.229818	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+Na"	22.989218
"761196"	1397.350118	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+Na"	22.989218
"1615858"	481.109518	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Na"	22.989218
"319333"	470.118547	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+H+Na"	23.996494
"721846"	699.178697	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+H+Na"	23.996494
"1475054"	241.058397	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H+Na"	23.996494
"1063195"	161.041356666667	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2H+Na"	25.00377
"1268155"	491.153786	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+CH3OH+H"	33.033486
"390009"	955.203758	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+K"	38.963158
"749911"	1413.324058	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+K"	38.963158
"1549775"	497.083458	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+K"	38.963158
"304764"	478.105517	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+H+K"	39.970434
"695001"	707.165667	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+H+K"	39.970434
"1447727"	249.045367	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H+K"	39.970434
"236693"	958.274426	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+ACN+H"	42.033826
"1210493"	500.154126	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+ACN+H"	42.033826
"1194537"	250.580701	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+ACN+2H"	43.041102
"190170"	961.21176	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+2Na-H"	44.97116
"630096"	1419.33206	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+2Na-H"	44.97116
"1135061"	503.09146	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2Na-H"	44.97116
"175435"	481.109518	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+2Na"	45.978436
"614632"	710.169668	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+2Na"	45.978436
"1120694"	252.049368	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2Na"	45.978436
"1406404"	168.368670666667	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H+2Na"	46.985712
"1437794"	505.133046	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H+HCOOH"	47.012746
"228220"	486.14254	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+3H2O+2H"	56.04448
"1516283"	519.18509	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+IsoProp+H"	61.06479
"415970"	489.096488	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+Na+K"	61.952376
"775873"	718.156638	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+Na+K"	61.952376
"1672567"	260.036338	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Na+K"	61.952376
"260912"	980.256368	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+ACN+Na"	64.015768
"1228884"	522.136068	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+ACN+Na"	64.015768
"1715946"	522.159593	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+NH4+HCOOH"	64.039293
"1180941"	175.695984666667	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+3Na"	68.967654
"1651926"	527.114988	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Na+HCOOH"	68.994688
"158057"	993.15964	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+2K-H"	76.91904
"605276"	1451.27994	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+2K-H"	76.91904
"1093070"	535.03934	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2K-H"	76.91904
"146607"	497.083458	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"2M+2K"	77.926316
"594921"	726.143608	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"3M+2K"	77.926316
"1080523"	268.023308	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2K"	77.926316
"1113735"	537.053892	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2K+H"	78.933592
"1349027"	537.141507	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+DMSO+H"	79.021207
"1019619"	541.180676	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2ACN+H"	83.060376
"1537622"	542.174308	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+IsoProp+Na+H"	84.054008
"999938"	271.093976	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+2ACN+2H"	84.067652
"1598817"	543.088928	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+K+HCOOH"	84.968628
"1420104"	573.120438	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+H+CF3COOH"	115.000138
"1156954"	291.607251	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+3ACN+2H"	125.094202
"1701039"	590.146985	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+NH4+CF3COOH"	132.026685
"1649452"	595.10238	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+Na+CF3COOH"	136.98208
"1586560"	611.07632	"C01847"	"Reduced FMN;FMNH2"	"C17H23N4O9P"	"458.1203"	"M+K+CF3COOH"	152.95602
"813284"	755.3153	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M"	0
"983900"	736.29691	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-H2O-H"	-19.01839
"69956"	502.536257333333	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M-3H"	-3.021828
"510610"	754.308024	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M-3H"	-3.021828
"887321"	250.764490666667	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-3H"	-3.021828
"13554"	754.308024	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M-2H"	-2.014552
"454207"	1131.965674	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M-2H"	-2.014552
"831406"	376.650374	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-2H"	-2.014552
"92255"	1509.623324	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M-H"	-1.007276
"532061"	2264.938624	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M-H"	-1.007276
"909254"	754.308024	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-H"	-1.007276
"60468"	1526.649871	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M-2H+NH4"	16.019271
"498565"	2281.965171	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M-2H+NH4"	16.019271
"878189"	771.334571	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-2H+NH4"	16.019271
"43174"	1531.605266	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M-2H+Na"	20.974666
"483828"	2286.920566	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M-2H+Na"	20.974666
"855433"	776.289966	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-2H+Na"	20.974666
"1624965"	776.289966	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Na-2H"	20.974666
"98213"	772.296363	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M-H+Cl"	33.962126
"542147"	1149.954013	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M-H+Cl"	33.962126
"937851"	394.638713	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-H+Cl"	33.962126
"276411"	1545.600002	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+Cl"	34.969402
"671746"	2300.915302	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+Cl"	34.969402
"1283419"	790.284702	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Cl"	34.969402
"27071"	1547.579206	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M-2H+K"	36.948606
"466632"	2302.894506	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M-2H+K"	36.948606
"842246"	792.263906	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-2H+K"	36.948606
"1565734"	792.263906	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+K-2H"	36.948606
"956533"	800.313494	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-H+HCOOH"	44.998194
"374020"	1555.628801	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+HCOOH-H"	44.998201
"355716"	1569.644451	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+Hac-H"	59.013851
"1507102"	814.329151	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Hac-H"	59.013851
"969902"	822.295451	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-H+NaCOOH"	66.980151
"115529"	790.284702	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+2Cl"	69.938804
"555089"	1167.942352	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+2Cl"	69.938804
"1028262"	412.627052	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2Cl"	69.938804
"1244924"	834.234185	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Br"	78.918885
"1304942"	836.290172	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Cl+HCOOH"	80.974872
"1320010"	858.272129	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Cl+NaCOOH"	102.956829
"914474"	868.300886	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M-H+CF3COOH"	112.985586
"1293369"	904.277564	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Cl+CF3COOH"	148.962264
"1378093"	720.302624	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H-2H2O"	-35.012676
"1391215"	738.3126	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H-H2O"	-17.0027
"294184"	1511.637876	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+H"	1.007276
"684419"	2266.953176	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+H"	1.007276
"1358582"	756.322576	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H"	1.007276
"128189"	756.322576	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+2H"	2.014552
"574313"	1133.980226	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+2H"	2.014552
"1044206"	378.664926	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2H"	2.014552
"219528"	504.550809333333	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+3H"	3.021828
"657506"	756.322576	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+3H"	3.021828
"1178418"	252.779042666667	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+3H"	3.021828
"438419"	1528.664423	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+NH4"	18.033823
"800752"	2283.979723	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+NH4"	18.033823
"1696227"	773.349123	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+NH4"	18.033823
"341950"	764.8358495	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+H+NH4"	19.041099
"735463"	1142.4934995	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+H+NH4"	19.041099
"1484913"	387.1781995	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H+NH4"	19.041099
"399218"	1533.619818	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+Na"	22.989218
"760212"	2288.935118	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+Na"	22.989218
"1615968"	778.304518	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Na"	22.989218
"319443"	767.313547	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+H+Na"	23.996494
"722196"	1144.971197	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+H+Na"	23.996494
"1476381"	389.655897	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H+Na"	23.996494
"1066222"	260.106356666667	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2H+Na"	25.00377
"1267171"	788.348786	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+CH3OH+H"	33.033486
"389026"	1549.593758	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+K"	38.963158
"745647"	2304.909058	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+K"	38.963158
"1546607"	794.278458	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+K"	38.963158
"303782"	775.300517	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+H+K"	39.970434
"697298"	1152.958167	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+H+K"	39.970434
"1451118"	397.642867	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H+K"	39.970434
"237533"	1552.664426	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+ACN+H"	42.033826
"1212427"	797.349126	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+ACN+H"	42.033826
"1194851"	399.178201	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+ACN+2H"	43.041102
"191011"	1555.60176	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+2Na-H"	44.97116
"630206"	2310.91706	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+2Na-H"	44.97116
"1135903"	800.28646	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2Na-H"	44.97116
"184298"	778.304518	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+2Na"	45.978436
"617661"	1155.962168	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+2Na"	45.978436
"1122991"	400.646868	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2Na"	45.978436
"1406515"	267.433670666667	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H+2Na"	46.985712
"1434624"	802.328046	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H+HCOOH"	47.012746
"228329"	783.33754	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+3H2O+2H"	56.04448
"1514205"	816.38009	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+IsoProp+H"	61.06479
"413893"	786.291488	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+Na+K"	61.952376
"775983"	1163.949138	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+Na+K"	61.952376
"1673405"	408.633838	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Na+K"	61.952376
"264302"	1574.646368	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+ACN+Na"	64.015768
"1233731"	819.331068	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+ACN+Na"	64.015768
"1716056"	819.354593	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+NH4+HCOOH"	64.039293
"1181777"	274.760984666667	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+3Na"	68.967654
"1650123"	824.309988	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Na+HCOOH"	68.994688
"157272"	1587.54964	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+2K-H"	76.91904
"603200"	2342.86494	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+2K-H"	76.91904
"1090994"	832.23434	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2K-H"	76.91904
"145624"	794.278458	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"2M+2K"	77.926316
"595033"	1171.936108	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"3M+2K"	77.926316
"1081731"	416.620808	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2K"	77.926316
"1114823"	834.248892	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2K+H"	78.933592
"1350964"	834.336507	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+DMSO+H"	79.021207
"1021318"	838.375676	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2ACN+H"	83.060376
"1536884"	839.369308	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+IsoProp+Na+H"	84.054008
"1001145"	419.691476	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+2ACN+2H"	84.067652
"1595648"	840.283928	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+K+HCOOH"	84.968628
"1420216"	870.315438	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+H+CF3COOH"	115.000138
"1157066"	440.204751	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+3ACN+2H"	125.094202
"1711723"	887.341985	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+NH4+CF3COOH"	132.026685
"1648469"	892.29738	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+Na+CF3COOH"	136.98208
"1586670"	908.27132	"C01848"	"Rifamycin B"	"C39H49NO14"	"755.3153"	"M+K+CF3COOH"	152.95602
"805008"	753.2997	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M"	0
"975986"	734.28131	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-H2O-H"	-19.01839
"71159"	501.192524	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M-3H"	-3.021828
"510720"	752.292424	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M-3H"	-3.021828
"890710"	250.092624	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-3H"	-3.021828
"12567"	752.292424	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M-2H"	-2.014552
"453952"	1128.942274	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M-2H"	-2.014552
"832289"	375.642574	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-2H"	-2.014552
"93334"	1505.592124	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M-H"	-1.007276
"533501"	2258.891824	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M-H"	-1.007276
"910572"	752.292424	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-H"	-1.007276
"62278"	1522.618671	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M-2H+NH4"	16.019271
"501592"	2275.918371	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M-2H+NH4"	16.019271
"876841"	769.318971	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-2H+NH4"	16.019271
"44377"	1527.574066	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M-2H+Na"	20.974666
"481021"	2280.873766	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M-2H+Na"	20.974666
"860646"	774.274366	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-2H+Na"	20.974666
"1626168"	774.274366	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Na-2H"	20.974666
"96864"	770.280763	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M-H+Cl"	33.962126
"540070"	1146.930613	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M-H+Cl"	33.962126
"939419"	393.630913	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-H+Cl"	33.962126
"278707"	1541.568802	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+Cl"	34.969402
"671126"	2294.868502	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+Cl"	34.969402
"1284622"	788.269102	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Cl"	34.969402
"29003"	1543.548006	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M-2H+K"	36.948606
"470023"	2296.847706	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M-2H+K"	36.948606
"843449"	790.248306	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-2H+K"	36.948606
"1565843"	790.248306	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+K-2H"	36.948606
"957980"	798.297894	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-H+HCOOH"	44.998194
"375835"	1551.597601	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+HCOOH-H"	44.998201
"360079"	1565.613251	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+Hac-H"	59.013851
"1507942"	812.313551	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Hac-H"	59.013851
"973538"	820.279851	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-H+NaCOOH"	66.980151
"117826"	788.269102	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+2Cl"	69.938804
"565040"	1164.918952	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+2Cl"	69.938804
"1034569"	411.619252	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2Cl"	69.938804
"1244670"	832.218585	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Br"	78.918885
"1305661"	834.274572	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Cl+HCOOH"	80.974872
"1322429"	856.256529	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Cl+NaCOOH"	102.956829
"914584"	866.285286	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M-H+CF3COOH"	112.985586
"1295666"	902.261964	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Cl+CF3COOH"	148.962264
"1380390"	718.287024	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H-2H2O"	-35.012676
"1391325"	736.297	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H-H2O"	-17.0027
"296482"	1507.606676	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+H"	1.007276
"689998"	2260.906376	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+H"	1.007276
"1364889"	754.306976	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H"	1.007276
"133767"	754.306976	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+2H"	2.014552
"571143"	1130.956826	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+2H"	2.014552
"1044316"	377.657126	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2H"	2.014552
"219031"	503.207076	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+3H"	3.021828
"657982"	754.306976	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+3H"	3.021828
"1178053"	252.107176	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+3H"	3.021828
"439706"	1524.633223	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+NH4"	18.033823
"800497"	2277.932923	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+NH4"	18.033823
"1696341"	771.333523	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+NH4"	18.033823
"343523"	762.8202495	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+H+NH4"	19.041099
"735579"	1139.4700995	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+H+NH4"	19.041099
"1483930"	386.1703995	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H+NH4"	19.041099
"399329"	1529.588618	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+Na"	22.989218
"758138"	2282.888318	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+Na"	22.989218
"1614986"	776.288918	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Na"	22.989218
"319553"	765.297947	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+H+Na"	23.996494
"720725"	1141.947797	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+H+Na"	23.996494
"1474545"	388.648097	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H+Na"	23.996494
"1062323"	259.43449	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2H+Na"	25.00377
"1265095"	786.333186	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+CH3OH+H"	33.033486
"388042"	1545.562558	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+K"	38.963158
"744663"	2298.862258	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+K"	38.963158
"1548902"	792.262858	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+K"	38.963158
"304985"	773.284917	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+H+K"	39.970434
"698500"	1149.934767	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+H+K"	39.970434
"1452321"	396.635067	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H+K"	39.970434
"235871"	1548.633226	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+ACN+H"	42.033826
"1211079"	795.333526	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+ACN+H"	42.033826
"1195818"	398.170401	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+ACN+2H"	43.041102
"190146"	1551.57056	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+2Na-H"	44.97116
"628731"	2304.87026	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+2Na-H"	44.97116
"1134920"	798.27086	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2Na-H"	44.97116
"187689"	776.288918	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+2Na"	45.978436
"622875"	1152.938768	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+2Na"	45.978436
"1120548"	399.639068	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2Na"	45.978436
"1407719"	266.761804	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H+2Na"	46.985712
"1437650"	800.312446	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H+HCOOH"	47.012746
"230626"	781.32194	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+3H2O+2H"	56.04448
"1516502"	814.36449	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+IsoProp+H"	61.06479
"419468"	784.275888	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+Na+K"	61.952376
"779373"	1160.925738	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+Na+K"	61.952376
"1672423"	407.626038	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Na+K"	61.952376
"264048"	1570.615168	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+ACN+Na"	64.015768
"1233841"	817.315468	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+ACN+Na"	64.015768
"1718353"	817.338993	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+NH4+HCOOH"	64.039293
"1186990"	274.089118	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+3Na"	68.967654
"1654698"	822.294388	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Na+HCOOH"	68.994688
"157545"	1583.51844	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+2K-H"	76.91904
"604403"	2336.81814	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+2K-H"	76.91904
"1091104"	830.21874	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2K-H"	76.91904
"146827"	792.262858	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"2M+2K"	77.926316
"595873"	1168.912708	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"3M+2K"	77.926316
"1081841"	415.613008	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2K"	77.926316
"1114203"	832.233292	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2K+H"	78.933592
"1351199"	832.320907	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+DMSO+H"	79.021207
"1021284"	836.360076	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2ACN+H"	83.060376
"1536994"	837.353708	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+IsoProp+Na+H"	84.054008
"1001255"	418.683676	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+2ACN+2H"	84.067652
"1596853"	838.268328	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+K+HCOOH"	84.968628
"1422513"	868.299838	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+H+CF3COOH"	115.000138
"1152801"	439.196951	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+3ACN+2H"	125.094202
"1704542"	885.326385	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+NH4+CF3COOH"	132.026685
"1648579"	890.28178	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+Na+CF3COOH"	136.98208
"1586780"	906.25572	"C01849"	"Rifamycin O"	"C39H47NO14"	"753.2997"	"M+K+CF3COOH"	152.95602
"804389"	360.0845	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M"	0
"976098"	341.06611	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"69083"	239.049057333333	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"511924"	359.077224	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"887541"	119.020890666667	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"11584"	359.077224	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"455404"	539.119474	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"831995"	179.034974	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"92834"	719.161724	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"533490"	1079.246224	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"911051"	359.077224	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"62390"	736.188271	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"501703"	1096.272771	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"878410"	376.103771	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"47044"	741.143666	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"481131"	1101.228166	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"861849"	381.059166	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1629559"	381.059166	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"103900"	377.065563	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"547835"	557.107813	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"942489"	197.023313	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"280639"	755.138402	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"673424"	1115.222902	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1285825"	395.053902	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"29113"	757.117606	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"470134"	1117.202106	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"842467"	397.033106	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1569234"	397.033106	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"958284"	405.082694	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"377051"	765.167201	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"361370"	779.182851	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1508437"	419.098351	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"974147"	427.064651	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"119029"	395.053902	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"565639"	575.096152	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1036708"	215.011652	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1244780"	439.003385	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1306864"	441.059372	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1322903"	463.041329	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"917974"	473.070086	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1295776"	509.046764	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1378313"	325.071824	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1393621"	343.0818	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"296591"	721.176276	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"690839"	1081.260776	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1365363"	361.091776	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"132784"	361.091776	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"576717"	541.134026	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1045518"	181.049526	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"219544"	241.063609333333	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"659672"	361.091776	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1177306"	121.035442666667	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"439815"	738.202823	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"801219"	1098.287323	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1696735"	378.118323	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"345677"	369.6050495	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"735323"	549.6472995	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1482946"	189.5627995	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"396159"	743.158218	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"757154"	1103.242718	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1609627"	383.073718	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"318570"	372.082747	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"715366"	552.124997	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1473561"	192.040497	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1066807"	128.362756666667	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1268485"	393.117986	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"388153"	759.132158	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"743680"	1119.216658	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1549012"	399.047658	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"305095"	380.069717	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"698610"	560.111967	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1451338"	200.027467	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"236658"	762.202826	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1211188"	402.118326	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1194951"	201.562801	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"189157"	765.14016	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"631886"	1125.22466	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1135028"	405.05566	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"182331"	383.073718	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"617881"	563.115968	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1122480"	203.031468	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1410016"	135.690070666667	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1442136"	407.097246	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"231830"	388.10674	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1518799"	421.14929	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"418485"	391.060688	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"777296"	571.102938	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1672533"	211.018438	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"263429"	784.184768	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1233951"	424.100268	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1718463"	424.123793	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1186007"	143.017384666667	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1654808"	429.079188	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"159483"	797.08804	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"604513"	1157.17254	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1093401"	437.00354	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"150217"	399.047658	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"596350"	579.089908	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1081951"	219.005408	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1114313"	439.018092	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1351027"	439.105707	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1020688"	443.144876	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1539418"	444.138508	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"1005257"	222.076076	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1601827"	445.053128	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1425904"	475.084638	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1156191"	242.589351	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1705745"	492.111185	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1642491"	497.06658	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1583610"	513.04052	"C01850"	"Rosmarinate;Rosmarinic acid"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"809603"	303.1471	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M"	0
"988244"	284.12871	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-H2O-H"	-19.01839
"72476"	201.090790666667	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M-3H"	-3.021828
"518326"	302.139824	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M-3H"	-3.021828
"895274"	100.041757333333	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-3H"	-3.021828
"14247"	302.139824	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M-2H"	-2.014552
"453448"	453.713374	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M-2H"	-2.014552
"829065"	150.566274	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-2H"	-2.014552
"93064"	605.286924	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M-H"	-1.007276
"533478"	908.434024	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M-H"	-1.007276
"910878"	302.139824	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-H"	-1.007276
"58607"	622.313471	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M-2H+NH4"	16.019271
"498164"	925.460571	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M-2H+NH4"	16.019271
"879706"	319.166371	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-2H+NH4"	16.019271
"47062"	627.268866	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M-2H+Na"	20.974666
"484158"	930.415966	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M-2H+Na"	20.974666
"855763"	324.121766	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-2H+Na"	20.974666
"1631857"	324.121766	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Na-2H"	20.974666
"105105"	320.128163	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M-H+Cl"	33.962126
"545759"	471.701713	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M-H+Cl"	33.962126
"940368"	168.554613	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-H+Cl"	33.962126
"281844"	641.263602	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+Cl"	34.969402
"673899"	944.410702	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+Cl"	34.969402
"1285938"	338.116502	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Cl"	34.969402
"27767"	643.242806	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M-2H+K"	36.948606
"469516"	946.389906	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M-2H+K"	36.948606
"848258"	340.095706	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-2H+K"	36.948606
"1569715"	340.095706	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+K-2H"	36.948606
"958493"	348.145294	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-H+HCOOH"	44.998194
"377095"	651.292401	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+HCOOH-H"	44.998201
"361287"	665.308051	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+Hac-H"	59.013851
"1508042"	362.160951	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Hac-H"	59.013851
"973889"	370.127251	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-H+NaCOOH"	66.980151
"119142"	338.116502	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+2Cl"	69.938804
"564168"	489.690052	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+2Cl"	69.938804
"1036942"	186.542952	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2Cl"	69.938804
"1245984"	382.065985	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Br"	78.918885
"1305516"	384.121972	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Cl+HCOOH"	80.974872
"1332495"	406.103929	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Cl+NaCOOH"	102.956829
"920274"	416.132686	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M-H+CF3COOH"	112.985586
"1292608"	452.109364	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Cl+CF3COOH"	148.962264
"1374051"	268.134424	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H-2H2O"	-35.012676
"1393735"	286.1444	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H-H2O"	-17.0027
"297438"	607.301476	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+H"	1.007276
"690220"	910.448576	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+H"	1.007276
"1357819"	304.154376	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H"	1.007276
"133988"	304.154376	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+2H"	2.014552
"574640"	455.727926	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+2H"	2.014552
"1043442"	152.580826	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2H"	2.014552
"216812"	203.105342666667	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+3H"	3.021828
"659541"	304.154376	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+3H"	3.021828
"1177909"	102.056309333333	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+3H"	3.021828
"439231"	624.328023	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+NH4"	18.033823
"800833"	927.475123	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+NH4"	18.033823
"1695101"	321.180923	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+NH4"	18.033823
"340098"	312.6676495	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+H+NH4"	19.041099
"733610"	464.2411995	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+H+NH4"	19.041099
"1478682"	161.0940995	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H+NH4"	19.041099
"399550"	629.283418	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+Na"	22.989218
"758358"	932.430518	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+Na"	22.989218
"1604631"	326.136318	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Na"	22.989218
"319774"	315.145347	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+H+Na"	23.996494
"714383"	466.718897	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+H+Na"	23.996494
"1473671"	163.571797	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H+Na"	23.996494
"1059261"	109.383623333333	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2H+Na"	25.00377
"1267501"	336.180586	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+CH3OH+H"	33.033486
"380608"	645.257358	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+K"	38.963158
"742331"	948.404458	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+K"	38.963158
"1541832"	342.110258	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+K"	38.963158
"298880"	323.132317	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+H+K"	39.970434
"693252"	474.705867	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+H+K"	39.970434
"1446465"	171.558767	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H+K"	39.970434
"235824"	648.328026	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+ACN+H"	42.033826
"1210060"	345.180926	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+ACN+H"	42.033826
"1195553"	173.094101	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+ACN+2H"	43.041102
"188819"	651.26536	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+2Na-H"	44.97116
"631268"	954.41246	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+2Na-H"	44.97116
"1136962"	348.11826	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2Na-H"	44.97116
"181348"	326.136318	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+2Na"	45.978436
"619084"	477.709868	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+2Na"	45.978436
"1122226"	174.562768	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2Na"	45.978436
"1411219"	116.710937333333	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H+2Na"	46.985712
"1442246"	350.159846	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H+HCOOH"	47.012746
"230848"	331.16934	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+3H2O+2H"	56.04448
"1516723"	364.21189	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+IsoProp+H"	61.06479
"416409"	334.123288	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+Na+K"	61.952376
"775218"	485.696838	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+Na+K"	61.952376
"1670456"	182.549738	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Na+K"	61.952376
"260259"	670.309968	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+ACN+Na"	64.015768
"1229685"	367.162868	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+ACN+Na"	64.015768
"1718573"	367.186393	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+NH4+HCOOH"	64.039293
"1187210"	124.038251333333	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+3Na"	68.967654
"1656011"	372.141788	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Na+HCOOH"	68.994688
"162875"	683.21324	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+2K-H"	76.91904
"604623"	986.36034	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+2K-H"	76.91904
"1097885"	380.06614	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2K-H"	76.91904
"150327"	342.110258	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"2M+2K"	77.926316
"596869"	493.683808	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"3M+2K"	77.926316
"1083033"	190.536708	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2K"	77.926316
"1114787"	382.080692	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2K+H"	78.933592
"1351141"	382.168307	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+DMSO+H"	79.021207
"1020430"	386.207476	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2ACN+H"	83.060376
"1539607"	387.201108	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+IsoProp+Na+H"	84.054008
"1004513"	193.607376	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+2ACN+2H"	84.067652
"1598166"	388.115728	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+K+HCOOH"	84.968628
"1428202"	418.147238	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+H+CF3COOH"	115.000138
"1156301"	214.120651	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+3ACN+2H"	125.094202
"1705855"	435.173785	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+NH4+CF3COOH"	132.026685
"1648800"	440.12918	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+Na+CF3COOH"	136.98208
"1583720"	456.10312	"C01851"	"Scopolamine;(-)-Hyoscine"	"C17H21NO4"	"303.1471"	"M+K+CF3COOH"	152.95602
"807523"	388.1369	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M"	0
"981063"	369.11851	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-H2O-H"	-19.01839
"71493"	257.750657333333	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M-3H"	-3.021828
"515793"	387.129624	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M-3H"	-3.021828
"893842"	128.371690666667	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-3H"	-3.021828
"14721"	387.129624	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M-2H"	-2.014552
"450277"	581.198074	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M-2H"	-2.014552
"829173"	193.061174	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-2H"	-2.014552
"92446"	775.266524	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M-H"	-1.007276
"529821"	1163.403424	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M-H"	-1.007276
"905436"	387.129624	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-H"	-1.007276
"57624"	792.293071	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M-2H+NH4"	16.019271
"498274"	1180.429971	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M-2H+NH4"	16.019271
"876075"	404.156171	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-2H+NH4"	16.019271
"40696"	797.248466	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M-2H+Na"	20.974666
"478072"	1185.385366	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M-2H+Na"	20.974666
"853685"	409.111566	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-2H+Na"	20.974666
"1626499"	409.111566	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Na-2H"	20.974666
"103027"	405.117963	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M-H+Cl"	33.962126
"543682"	599.186413	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M-H+Cl"	33.962126
"940114"	211.049513	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-H+Cl"	33.962126
"280859"	811.243202	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+Cl"	34.969402
"671456"	1199.380102	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+Cl"	34.969402
"1285683"	423.106302	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Cl"	34.969402
"27512"	813.222406	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M-2H+K"	36.948606
"468167"	1201.359306	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M-2H+K"	36.948606
"844875"	425.085506	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-2H+K"	36.948606
"1571166"	425.085506	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+K-2H"	36.948606
"958156"	433.135094	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-H+HCOOH"	44.998194
"376413"	821.272001	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+HCOOH-H"	44.998201
"360659"	835.287651	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+Hac-H"	59.013851
"1507544"	447.150751	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Hac-H"	59.013851
"973508"	455.117051	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-H+NaCOOH"	66.980151
"115970"	423.106302	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+2Cl"	69.938804
"562090"	617.174752	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+2Cl"	69.938804
"1034170"	229.037852	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2Cl"	69.938804
"1241719"	467.055785	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Br"	78.918885
"1305262"	469.111772	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Cl+HCOOH"	80.974872
"1333699"	491.093729	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Cl+NaCOOH"	102.956829
"920384"	501.122486	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M-H+CF3COOH"	112.985586
"1292718"	537.099164	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Cl+CF3COOH"	148.962264
"1374161"	353.124224	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H-2H2O"	-35.012676
"1393845"	371.1342	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H-H2O"	-17.0027
"297791"	777.281076	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+H"	1.007276
"690653"	1165.417976	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+H"	1.007276
"1359023"	389.144176	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H"	1.007276
"130818"	389.144176	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+2H"	2.014552
"569647"	583.212626	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+2H"	2.014552
"1041364"	195.075726	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2H"	2.014552
"214735"	259.765209333333	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+3H"	3.021828
"658922"	389.144176	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+3H"	3.021828
"1177651"	130.386242666667	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+3H"	3.021828
"439584"	794.307623	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+NH4"	18.033823
"800822"	1182.444523	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+NH4"	18.033823
"1693022"	406.170723	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+NH4"	18.033823
"340206"	397.6574495	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+H+NH4"	19.041099
"733720"	591.7258995	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+H+NH4"	19.041099
"1480978"	203.5889995	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H+NH4"	19.041099
"399660"	799.263018	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+Na"	22.989218
"759561"	1187.399918	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+Na"	22.989218
"1603158"	411.126118	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Na"	22.989218
"316238"	400.135147	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+H+Na"	23.996494
"715586"	594.203597	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+H+Na"	23.996494
"1468313"	206.066697	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H+Na"	23.996494
"1056091"	137.713556666667	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2H+Na"	25.00377
"1265424"	421.170386	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+CH3OH+H"	33.033486
"379622"	815.236958	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+K"	38.963158
"739524"	1203.373858	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+K"	38.963158
"1540159"	427.100058	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+K"	38.963158
"298829"	408.122117	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+H+K"	39.970434
"691422"	602.190567	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+H+K"	39.970434
"1446082"	214.053667	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H+K"	39.970434
"236019"	818.307626	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+ACN+H"	42.033826
"1210103"	430.170726	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+ACN+H"	42.033826
"1196027"	215.589001	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+ACN+2H"	43.041102
"188885"	821.24496	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+2Na-H"	44.97116
"631742"	1209.38186	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+2Na-H"	44.97116
"1134885"	433.10806	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2Na-H"	44.97116
"178541"	411.126118	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+2Na"	45.978436
"615914"	605.194568	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+2Na"	45.978436
"1121607"	217.057668	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2Na"	45.978436
"1404037"	145.040870666667	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H+2Na"	46.985712
"1435794"	435.149646	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H+HCOOH"	47.012746
"222207"	416.15914	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+3H2O+2H"	56.04448
"1509905"	449.20169	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+IsoProp+H"	61.06479
"410685"	419.113088	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+Na+K"	61.952376
"770175"	613.181538	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+Na+K"	61.952376
"1666553"	225.044638	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Na+K"	61.952376
"254902"	840.289568	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+ACN+Na"	64.015768
"1226878"	452.152668	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+ACN+Na"	64.015768
"1713577"	452.176193	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+NH4+HCOOH"	64.039293
"1180026"	152.368184666667	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+3Na"	68.967654
"1651378"	457.131588	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Na+HCOOH"	68.994688
"157997"	853.19284	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+2K-H"	76.91904
"604733"	1241.32974	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+2K-H"	76.91904
"1097995"	465.05594	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2K-H"	76.91904
"149343"	427.100058	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"2M+2K"	77.926316
"596328"	621.168508	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"3M+2K"	77.926316
"1082171"	233.031608	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2K"	77.926316
"1114897"	467.070492	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2K+H"	78.933592
"1351209"	467.158107	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+DMSO+H"	79.021207
"1021109"	471.197276	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2ACN+H"	83.060376
"1538418"	472.190908	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+IsoProp+Na+H"	84.054008
"1003772"	236.102276	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+2ACN+2H"	84.067652
"1597183"	473.105528	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+K+HCOOH"	84.968628
"1428312"	503.137038	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+H+CF3COOH"	115.000138
"1158598"	256.615551	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+3ACN+2H"	125.094202
"1704872"	520.163585	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+NH4+CF3COOH"	132.026685
"1648910"	525.11898	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+Na+CF3COOH"	136.98208
"1583830"	541.09292	"C01852"	"Secologanin;(-)-Secologanin"	"C17H24O10"	"388.1369"	"M+K+CF3COOH"	152.95602
"804353"	182.0215	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M"	0
"981173"	163.00311	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-H2O-H"	-19.01839
"71603"	120.340390666667	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M-3H"	-3.021828
"515174"	181.014224	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M-3H"	-3.021828
"892613"	59.6665573333333	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-3H"	-3.021828
"13738"	181.014224	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H"	-2.014552
"448201"	272.024974	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H"	-2.014552
"828188"	90.003474	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-2H"	-2.014552
"91339"	363.035724	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M-H"	-1.007276
"529930"	545.057224	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M-H"	-1.007276
"904452"	181.014224	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-H"	-1.007276
"56641"	380.062271	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H+NH4"	16.019271
"498384"	562.083771	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H+NH4"	16.019271
"872905"	198.040771	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-2H+NH4"	16.019271
"40806"	385.017666	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H+Na"	20.974666
"477086"	567.039166	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H+Na"	20.974666
"855983"	202.996166	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-2H+Na"	20.974666
"1625516"	202.996166	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Na-2H"	20.974666
"98764"	199.002563	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M-H+Cl"	33.962126
"543792"	290.013313	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M-H+Cl"	33.962126
"940467"	107.991813	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-H+Cl"	33.962126
"280970"	399.012402	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+Cl"	34.969402
"673268"	581.033902	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+Cl"	34.969402
"1285429"	216.990902	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl"	34.969402
"30906"	400.991606	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H+K"	36.948606
"469371"	583.013106	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H+K"	36.948606
"845353"	218.970106	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-2H+K"	36.948606
"1570874"	218.970106	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+K-2H"	36.948606
"957818"	227.019694	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-H+HCOOH"	44.998194
"376764"	409.041201	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+HCOOH-H"	44.998201
"361202"	423.056851	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+Hac-H"	59.013851
"1508371"	241.035351	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Hac-H"	59.013851
"974107"	249.001651	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-H+NaCOOH"	66.980151
"118267"	216.990902	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+2Cl"	69.938804
"563659"	308.001652	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+2Cl"	69.938804
"1034645"	125.980152	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2Cl"	69.938804
"1241830"	260.940385	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Br"	78.918885
"1305370"	262.996372	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl+HCOOH"	80.974872
"1331258"	284.978329	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl+NaCOOH"	102.956829
"920494"	295.007086	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M-H+CF3COOH"	112.985586
"1292828"	330.983764	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl+CF3COOH"	148.962264
"1375364"	147.008824	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H-2H2O"	-35.012676
"1395779"	165.0188	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H-H2O"	-17.0027
"297901"	365.050276	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+H"	1.007276
"690439"	547.071776	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+H"	1.007276
"1362050"	183.028776	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H"	1.007276
"132021"	183.028776	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+2H"	2.014552
"572673"	274.039526	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+2H"	2.014552
"1039287"	92.018026	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2H"	2.014552
"218491"	122.354942666667	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+3H"	3.021828
"658667"	183.028776	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+3H"	3.021828
"1178126"	61.6811093333333	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+3H"	3.021828
"439289"	382.076823	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+NH4"	18.033823
"800809"	564.098323	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+NH4"	18.033823
"1690946"	200.055323	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+NH4"	18.033823
"339223"	191.5420495	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+H+NH4"	19.041099
"732737"	282.5527995	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+H+NH4"	19.041099
"1481088"	100.5312995	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H+NH4"	19.041099
"399770"	387.032218	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+Na"	22.989218
"760764"	569.053718	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+Na"	22.989218
"1603877"	205.010718	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Na"	22.989218
"317806"	194.019747	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+H+Na"	23.996494
"713509"	285.030497	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+H+Na"	23.996494
"1468423"	103.008997	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H+Na"	23.996494
"1057293"	69.0084233333333	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2H+Na"	25.00377
"1263347"	215.054986	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+CH3OH+H"	33.033486
"383012"	403.006158	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+K"	38.963158
"742915"	585.027658	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+K"	38.963158
"1541080"	220.984658	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+K"	38.963158
"299225"	202.006717	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+H+K"	39.970434
"694928"	293.017467	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+H+K"	39.970434
"1446683"	110.995967	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H+K"	39.970434
"236255"	406.076826	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+ACN+H"	42.033826
"1210133"	224.055326	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+ACN+H"	42.033826
"1195157"	112.531301	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+ACN+2H"	43.041102
"189486"	409.01416	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+2Na-H"	44.97116
"629290"	591.03566	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+2Na-H"	44.97116
"1134993"	226.99266	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2Na-H"	44.97116
"179379"	205.010718	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+2Na"	45.978436
"617117"	296.021468	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+2Na"	45.978436
"1118434"	113.999968	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2Na"	45.978436
"1401593"	76.3357373333333	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H+2Na"	46.985712
"1435904"	229.034246	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H+HCOOH"	47.012746
"222074"	210.04374	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+3H2O+2H"	56.04448
"1511469"	243.08629	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+IsoProp+H"	61.06479
"411524"	212.997688	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+Na+K"	61.952376
"771424"	304.008438	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+Na+K"	61.952376
"1667392"	121.986938	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Na+K"	61.952376
"252820"	428.058768	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+ACN+Na"	64.015768
"1226253"	246.037268	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+ACN+Na"	64.015768
"1713560"	246.060793	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+NH4+HCOOH"	64.039293
"1178869"	83.6630513333333	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+3Na"	68.967654
"1649950"	251.016188	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Na+HCOOH"	68.994688
"157868"	440.96204	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+2K-H"	76.91904
"604843"	622.98354	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+2K-H"	76.91904
"1097012"	258.94054	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2K-H"	76.91904
"148724"	220.984658	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"2M+2K"	77.926316
"595223"	311.995408	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"3M+2K"	77.926316
"1082281"	129.973908	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2K"	77.926316
"1115293"	260.955092	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2K+H"	78.933592
"1351220"	261.042707	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+DMSO+H"	79.021207
"1021262"	265.081876	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2ACN+H"	83.060376
"1538407"	266.075508	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+IsoProp+Na+H"	84.054008
"1000603"	133.044576	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+2ACN+2H"	84.067652
"1597293"	266.990128	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+K+HCOOH"	84.968628
"1429274"	297.021638	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+H+CF3COOH"	115.000138
"1156521"	153.557851	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+3ACN+2H"	125.094202
"1707169"	314.048185	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+NH4+CF3COOH"	132.026685
"1642822"	319.00358	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+Na+CF3COOH"	136.98208
"1583940"	334.97752	"C01853"	"Stipitatate;Stipitatic acid;36-Dihydroxy-5-oxo-136-cycloheptatriene-1-carboxylic acid"	"C8H6O5"	"182.0215"	"M+K+CF3COOH"	152.95602
"805556"	178.0954	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M"	0
"988210"	159.07701	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-H2O-H"	-19.01839
"71713"	117.722990666667	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M-3H"	-3.021828
"515648"	177.088124	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M-3H"	-3.021828
"893452"	58.3578573333333	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-3H"	-3.021828
"12755"	177.088124	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H"	-2.014552
"448311"	266.135824	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H"	-2.014552
"828298"	88.040424	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H"	-2.014552
"89383"	355.183524	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M-H"	-1.007276
"531133"	533.278924	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M-H"	-1.007276
"906748"	177.088124	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-H"	-1.007276
"55655"	372.210071	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H+NH4"	16.019271
"491934"	550.305471	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H+NH4"	16.019271
"876294"	194.114671	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H+NH4"	16.019271
"37636"	377.165466	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H+Na"	20.974666
"478289"	555.260866	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H+Na"	20.974666
"853906"	199.070066	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H+Na"	20.974666
"1627812"	199.070066	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na-2H"	20.974666
"95593"	195.076463	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M-H+Cl"	33.962126
"538433"	284.124163	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M-H+Cl"	33.962126
"936324"	106.028763	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+Cl"	33.962126
"278164"	391.160202	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Cl"	34.969402
"671675"	569.255602	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+Cl"	34.969402
"1285175"	213.064802	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl"	34.969402
"28824"	393.139406	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H+K"	36.948606
"468384"	571.234806	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H+K"	36.948606
"842907"	215.044006	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H+K"	36.948606
"1568218"	215.044006	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+K-2H"	36.948606
"955737"	223.093594	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+HCOOH"	44.998194
"373586"	401.189001	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+HCOOH-H"	44.998201
"360797"	415.204651	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Hac-H"	59.013851
"1507524"	237.109251	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Hac-H"	59.013851
"973366"	245.075551	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+NaCOOH"	66.980151
"113274"	213.064802	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2Cl"	69.938804
"560122"	302.112502	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2Cl"	69.938804
"1035726"	124.017102	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2Cl"	69.938804
"1245219"	257.014285	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Br"	78.918885
"1306209"	259.070272	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl+HCOOH"	80.974872
"1332461"	281.052229	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl+NaCOOH"	102.956829
"921697"	291.080986	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+CF3COOH"	112.985586
"1294031"	327.057664	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl+CF3COOH"	148.962264
"1375474"	143.082724	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H-2H2O"	-35.012676
"1391876"	161.0927	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H-H2O"	-17.0027
"296675"	357.198076	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H"	1.007276
"686173"	535.293476	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H"	1.007276
"1357057"	179.102676	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H"	1.007276
"131038"	179.102676	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2H"	2.014552
"572054"	268.150376	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2H"	2.014552
"1040854"	90.054976	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2H"	2.014552
"214953"	119.737542666667	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+3H"	3.021828
"652326"	179.102676	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+3H"	3.021828
"1170452"	60.3724093333333	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+3H"	3.021828
"437736"	374.224623	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+NH4"	18.033823
"798001"	552.320023	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+NH4"	18.033823
"1695793"	196.129223	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+NH4"	18.033823
"344799"	187.6159495	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H+NH4"	19.041099
"731751"	276.6636495	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H+NH4"	19.041099
"1481198"	98.5682495	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+NH4"	19.041099
"399880"	379.180018	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Na"	22.989218
"760874"	557.275418	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+Na"	22.989218
"1605689"	201.084618	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na"	22.989218
"317916"	190.093647	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H+Na"	23.996494
"712525"	279.141347	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H+Na"	23.996494
"1468533"	101.045947	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+Na"	23.996494
"1058497"	67.6997233333333	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2H+Na"	25.00377
"1262364"	211.128886	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+CH3OH+H"	33.033486
"382029"	395.153958	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+K"	38.963158
"744118"	573.249358	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+K"	38.963158
"1541433"	217.058558	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+K"	38.963158
"299821"	198.080617	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H+K"	39.970434
"693581"	287.128317	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H+K"	39.970434
"1447036"	109.032917	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+K"	39.970434
"236244"	398.224626	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+ACN+H"	42.033826
"1210327"	220.129226	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+ACN+H"	42.033826
"1195149"	110.568251	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+ACN+2H"	43.041102
"189841"	401.16196	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2Na-H"	44.97116
"629644"	579.25736	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2Na-H"	44.97116
"1134374"	223.06656	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2Na-H"	44.97116
"180582"	201.084618	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2Na"	45.978436
"620143"	290.132318	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2Na"	45.978436
"1121461"	112.036918	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2Na"	45.978436
"1403162"	75.0270373333333	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+2Na"	46.985712
"1434555"	225.108146	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+HCOOH"	47.012746
"226801"	206.11764	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+3H2O+2H"	56.04448
"1511944"	239.16019	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+IsoProp+H"	61.06479
"413457"	209.071588	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Na+K"	61.952376
"772626"	298.119288	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+Na+K"	61.952376
"1669688"	120.023888	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na+K"	61.952376
"253294"	420.206568	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+ACN+Na"	64.015768
"1227820"	242.111168	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+ACN+Na"	64.015768
"1713305"	242.134693	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+NH4+HCOOH"	64.039293
"1179260"	82.3543513333333	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+3Na"	68.967654
"1649970"	247.090088	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na+HCOOH"	68.994688
"158464"	433.10984	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2K-H"	76.91904
"606046"	611.20524	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2K-H"	76.91904
"1096028"	255.01444	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2K-H"	76.91904
"148834"	217.058558	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2K"	77.926316
"596832"	306.106258	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2K"	77.926316
"1082270"	128.010858	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2K"	77.926316
"1114878"	257.028992	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2K+H"	78.933592
"1351099"	257.116607	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+DMSO+H"	79.021207
"1020031"	261.155776	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2ACN+H"	83.060376
"1538763"	262.149408	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+IsoProp+Na+H"	84.054008
"1000713"	131.081526	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+2ACN+2H"	84.067652
"1597403"	263.064028	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+K+HCOOH"	84.968628
"1427440"	293.095538	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+CF3COOH"	115.000138
"1155538"	151.594801	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+3ACN+2H"	125.094202
"1708372"	310.122085	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+NH4+CF3COOH"	132.026685
"1646212"	315.07748	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na+CF3COOH"	136.98208
"1584050"	331.05142	"C01854"	"Streptamine"	"C6H14N2O4"	"178.0954"	"M+K+CF3COOH"	152.95602
"805666"	311.1005	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M"	0
"988320"	292.08211	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H2O-H"	-19.01839
"76196"	206.393057333333	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-3H"	-3.021828
"515758"	310.093224	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-3H"	-3.021828
"892470"	102.692890666667	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-3H"	-3.021828
"15052"	310.093224	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H"	-2.014552
"451702"	465.643474	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H"	-2.014552
"829502"	154.542974	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H"	-2.014552
"90586"	621.193724	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-H"	-1.007276
"532338"	932.294224	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-H"	-1.007276
"906858"	310.093224	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H"	-1.007276
"55765"	638.220271	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H+NH4"	16.019271
"492045"	949.320771	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H+NH4"	16.019271
"873125"	327.119771	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H+NH4"	16.019271
"34467"	643.175666	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H+Na"	20.974666
"481679"	954.276166	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H+Na"	20.974666
"858390"	332.075166	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H+Na"	20.974666
"1631202"	332.075166	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na-2H"	20.974666
"103356"	328.081563	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-H+Cl"	33.962126
"544010"	483.631813	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-H+Cl"	33.962126
"932057"	172.531313	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+Cl"	33.962126
"280458"	657.170402	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Cl"	34.969402
"667411"	968.270902	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+Cl"	34.969402
"1285282"	346.069902	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl"	34.969402
"30027"	659.149606	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H+K"	36.948606
"463025"	970.250106	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H+K"	36.948606
"843017"	348.049106	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H+K"	36.948606
"1570150"	348.049106	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K-2H"	36.948606
"954388"	356.098694	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+HCOOH"	44.998194
"371509"	667.199201	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+HCOOH-H"	44.998201
"361109"	681.214851	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Hac-H"	59.013851
"1508116"	370.114351	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Hac-H"	59.013851
"973962"	378.080651	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+NaCOOH"	66.980151
"117395"	346.069902	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2Cl"	69.938804
"560232"	501.620152	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2Cl"	69.938804
"1033405"	190.519652	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2Cl"	69.938804
"1244235"	390.019385	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Br"	78.918885
"1306682"	392.075372	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl+HCOOH"	80.974872
"1325280"	414.057329	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl+NaCOOH"	102.956829
"916338"	424.086086	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+CF3COOH"	112.985586
"1297420"	460.062764	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl+CF3COOH"	148.962264
"1376677"	276.087824	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H-2H2O"	-35.012676
"1388704"	294.0978	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H-H2O"	-17.0027
"290578"	623.208276	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H"	1.007276
"685186"	934.308776	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H"	1.007276
"1360444"	312.107776	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H"	1.007276
"134428"	312.107776	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2H"	2.014552
"571070"	467.658026	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2H"	2.014552
"1039870"	156.557526	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2H"	2.014552
"214335"	208.407609333333	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+3H"	3.021828
"652436"	312.107776	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+3H"	3.021828
"1167282"	104.707442666667	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+3H"	3.021828
"434928"	640.234823	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+NH4"	18.033823
"794830"	951.335323	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+NH4"	18.033823
"1692622"	329.134323	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+NH4"	18.033823
"342722"	320.6210495	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H+NH4"	19.041099
"732954"	476.1712995	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H+NH4"	19.041099
"1481308"	165.0707995	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+NH4"	19.041099
"401083"	645.190218	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Na"	22.989218
"763171"	956.290718	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+Na"	22.989218
"1606894"	334.089718	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na"	22.989218
"320214"	323.098747	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H+Na"	23.996494
"711539"	478.648997	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H+Na"	23.996494
"1471924"	167.548497	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+Na"	23.996494
"1058607"	112.034756666667	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2H+Na"	25.00377
"1262472"	344.133986	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+CH3OH+H"	33.033486
"379952"	661.164158	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+K"	38.963158
"742042"	972.264658	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+K"	38.963158
"1541907"	350.063658	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K"	38.963158
"298917"	331.085717	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H+K"	39.970434
"691622"	486.635967	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H+K"	39.970434
"1446294"	175.535467	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+K"	39.970434
"237575"	664.234826	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+ACN+H"	42.033826
"1210156"	353.134326	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+ACN+H"	42.033826
"1195259"	177.070801	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+ACN+2H"	43.041102
"189587"	667.17216	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2Na-H"	44.97116
"630242"	978.27266	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2Na-H"	44.97116
"1138495"	356.07166	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2Na-H"	44.97116
"180693"	334.089718	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2Na"	45.978436
"621346"	489.639968	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2Na"	45.978436
"1118655"	178.539468	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2Na"	45.978436
"1402908"	119.362070666667	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+2Na"	46.985712
"1434300"	358.113246	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+HCOOH"	47.012746
"224724"	339.12274	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+3H2O+2H"	56.04448
"1510233"	372.16529	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+IsoProp+H"	61.06479
"411740"	342.076688	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Na+K"	61.952376
"772375"	497.626938	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+Na+K"	61.952376
"1668704"	186.526438	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na+K"	61.952376
"253404"	686.216768	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+ACN+Na"	64.015768
"1225743"	375.116268	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+ACN+Na"	64.015768
"1713171"	375.139793	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+NH4+HCOOH"	64.039293
"1178575"	126.689384666667	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+3Na"	68.967654
"1650975"	380.095188	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na+HCOOH"	68.994688
"161126"	699.12004	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2K-H"	76.91904
"599594"	1010.22054	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2K-H"	76.91904
"1096138"	388.01954	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2K-H"	76.91904
"148580"	350.063658	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2K"	77.926316
"596664"	505.613908	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2K"	77.926316
"1081408"	194.513408	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2K"	77.926316
"1115114"	390.034092	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2K+H"	78.933592
"1350764"	390.121707	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+DMSO+H"	79.021207
"1021120"	394.160876	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2ACN+H"	83.060376
"1539355"	395.154508	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+IsoProp+Na+H"	84.054008
"1000823"	197.584076	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2ACN+2H"	84.067652
"1596420"	396.069128	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K+HCOOH"	84.968628
"1427550"	426.100638	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+CF3COOH"	115.000138
"1157835"	218.097351	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+3ACN+2H"	125.094202
"1708482"	443.127185	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+NH4+CF3COOH"	132.026685
"1646322"	448.08258	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na+CF3COOH"	136.98208
"1584160"	464.05652	"C01855"	"Taxiphyllin;(R)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K+CF3COOH"	152.95602
"805776"	75.9983	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M"	0
"988673"	56.97991	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-H2O-H"	-19.01839
"74120"	49.6582573333333	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M-3H"	-3.021828
"515868"	74.991024	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M-3H"	-3.021828
"893309"	24.3254906666667	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-3H"	-3.021828
"15162"	74.991024	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M-2H"	-2.014552
"450719"	112.990174	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M-2H"	-2.014552
"828519"	36.991874	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-2H"	-2.014552
"91790"	150.989324	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M-H"	-1.007276
"532084"	226.987624	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M-H"	-1.007276
"905874"	74.991024	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-H"	-1.007276
"58062"	168.015871	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M-2H+NH4"	16.019271
"492155"	244.014171	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M-2H+NH4"	16.019271
"873235"	92.017571	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-2H+NH4"	16.019271
"34577"	172.971266	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M-2H+Na"	20.974666
"478509"	248.969566	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M-2H+Na"	20.974666
"858500"	96.972966	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-2H+Na"	20.974666
"1631312"	96.972966	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Na-2H"	20.974666
"101280"	92.979363	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M-H+Cl"	33.962126
"541934"	130.978513	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M-H+Cl"	33.962126
"931074"	54.980213	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-H+Cl"	33.962126
"278382"	186.966002	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+Cl"	34.969402
"666428"	262.964302	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+Cl"	34.969402
"1285028"	110.967702	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Cl"	34.969402
"26858"	188.945206	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M-2H+K"	36.948606
"463135"	264.943506	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M-2H+K"	36.948606
"842034"	112.946906	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-2H+K"	36.948606
"1568438"	112.946906	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+K-2H"	36.948606
"955227"	120.996494	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-H+HCOOH"	44.998194
"371619"	196.994801	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+HCOOH-H"	44.998201
"361056"	211.010451	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+Hac-H"	59.013851
"1507981"	135.012151	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Hac-H"	59.013851
"973986"	142.978451	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-H+NaCOOH"	66.980151
"115318"	110.967702	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+2Cl"	69.938804
"560342"	148.966852	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+2Cl"	69.938804
"1034608"	72.968552	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2Cl"	69.938804
"1246532"	154.917185	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Br"	78.918885
"1306792"	156.973172	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Cl+HCOOH"	80.974872
"1326483"	178.955129	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Cl+NaCOOH"	102.956829
"916448"	188.983886	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M-H+CF3COOH"	112.985586
"1297530"	224.960564	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Cl+CF3COOH"	148.962264
"1376787"	40.985624	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H-2H2O"	-35.012676
"1386627"	58.9956	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H-H2O"	-17.0027
"286313"	153.003876	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+H"	1.007276
"685296"	229.002176	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+H"	1.007276
"1361648"	77.005576	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H"	1.007276
"131256"	77.005576	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+2H"	2.014552
"571907"	115.004726	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+2H"	2.014552
"1041437"	39.006426	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2H"	2.014552
"207518"	51.6728093333333	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+3H"	3.021828
"653639"	77.005576	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+3H"	3.021828
"1168484"	26.3400426666667	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+3H"	3.021828
"431758"	170.030423	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+NH4"	18.033823
"794940"	246.028723	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+NH4"	18.033823
"1687991"	94.032123	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+NH4"	18.033823
"339551"	85.5188495	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+H+NH4"	19.041099
"733064"	123.5179995	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+H+NH4"	19.041099
"1481418"	47.5196995	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H+NH4"	19.041099
"401192"	174.985818	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+Na"	22.989218
"764374"	250.984118	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+Na"	22.989218
"1607004"	98.987518	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Na"	22.989218
"318137"	87.996547	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+H+Na"	23.996494
"710555"	125.995697	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+H+Na"	23.996494
"1471670"	49.997397	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H+Na"	23.996494
"1056530"	33.6673566666667	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2H+Na"	25.00377
"1258329"	109.031786	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+CH3OH+H"	33.033486
"377997"	190.959758	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+K"	38.963158
"738625"	266.958058	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+K"	38.963158
"1539947"	114.961458	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+K"	38.963158
"299920"	95.983517	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+H+K"	39.970434
"692707"	133.982667	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+H+K"	39.970434
"1446164"	57.984367	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H+K"	39.970434
"238049"	194.030426	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+ACN+H"	42.033826
"1211485"	118.032126	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+ACN+H"	42.033826
"1195731"	59.519701	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+ACN+2H"	43.041102
"188796"	196.96776	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+2Na-H"	44.97116
"628653"	272.96606	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+2Na-H"	44.97116
"1131623"	120.96946	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2Na-H"	44.97116
"173542"	98.987518	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+2Na"	45.978436
"618176"	136.986668	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+2Na"	45.978436
"1119124"	60.988368	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2Na"	45.978436
"1401195"	40.9946706666667	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H+2Na"	46.985712
"1432219"	123.011046	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H+HCOOH"	47.012746
"223009"	104.02054	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+3H2O+2H"	56.04448
"1509247"	137.06309	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+IsoProp+H"	61.06479
"409298"	106.974488	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+Na+K"	61.952376
"773213"	144.973638	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+Na+K"	61.952376
"1668083"	68.975338	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Na+K"	61.952376
"253511"	216.012368	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+ACN+Na"	64.015768
"1225844"	140.014068	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+ACN+Na"	64.015768
"1712846"	140.037593	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+NH4+HCOOH"	64.039293
"1178745"	48.3219846666667	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+3Na"	68.967654
"1649907"	144.992988	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Na+HCOOH"	68.994688
"159409"	228.91564	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+2K-H"	76.91904
"597876"	304.91394	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+2K-H"	76.91904
"1095155"	152.91734	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2K-H"	76.91904
"147961"	114.961458	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"2M+2K"	77.926316
"596647"	152.960608	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"3M+2K"	77.926316
"1081518"	76.962308	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2K"	77.926316
"1115097"	154.931892	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2K+H"	78.933592
"1350995"	155.019507	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+DMSO+H"	79.021207
"1020738"	159.058676	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2ACN+H"	83.060376
"1538493"	160.052308	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+IsoProp+Na+H"	84.054008
"999840"	80.032976	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+2ACN+2H"	84.067652
"1597622"	160.966928	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+K+HCOOH"	84.968628
"1427660"	190.998438	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+H+CF3COOH"	115.000138
"1157945"	100.546251	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+3ACN+2H"	125.094202
"1708592"	208.024985	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+NH4+CF3COOH"	132.026685
"1646432"	212.98038	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+Na+CF3COOH"	136.98208
"1584270"	228.95432	"C01857"	"Thioacetate;Thioacetic acid"	"C2H4OS"	"75.9983"	"M+K+CF3COOH"	152.95602
"811354"	204.1878	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M"	0
"988540"	185.16941	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"74230"	135.117924	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516712"	203.180524	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"893787"	67.055324	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"15152"	203.180524	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"449736"	305.274424	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"827536"	101.086624	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"89717"	407.368324	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"530373"	611.556124	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"905986"	203.180524	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"55988"	424.394871	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"496640"	628.582671	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873346"	220.207071	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"40154"	429.350266	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"478619"	633.538066	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861890"	225.162466	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1631422"	225.162466	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104671"	221.168863	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"540951"	323.262763	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931184"	119.074963	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"277399"	443.345002	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670914"	647.532802	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285502"	239.157202	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"29154"	445.324206	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464338"	649.512006	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847611"	241.136406	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570331"	241.136406	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957160"	249.185994	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371729"	453.373801	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"361359"	467.389451	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507605"	263.201651	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"973203"	271.167951	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"114333"	239.157202	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"560452"	341.251102	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1034718"	137.063302	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1244455"	283.106685	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1306902"	285.162672	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1326593"	307.144629	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"915465"	317.173386	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1296547"	353.150064	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1377626"	169.175124	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1386737"	187.1851	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"286423"	409.382876	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684313"	613.570676	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356287"	205.195076	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H"	1.007276
"132459"	205.195076	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573110"	307.288976	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039725"	103.101176	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"208723"	137.132476	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"648279"	205.195076	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1169687"	69.069876	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"428587"	426.409423	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"790674"	630.597223	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1688101"	222.221623	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"334556"	213.7083495	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"726614"	315.8022495	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1481528"	111.6144495	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395834"	431.364818	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"757921"	635.552618	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604927"	227.177018	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"318244"	216.186047	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"710664"	318.279947	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1465580"	114.092147	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1055544"	76.39719	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1260503"	237.221286	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377741"	447.338758	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740073"	651.526558	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540072"	243.150958	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+K"	38.963158
"298718"	224.173017	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"691723"	326.266917	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1446274"	122.079117	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"235791"	450.409426	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210865"	246.221626	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1194500"	123.614451	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"189198"	453.34676	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"628832"	657.53456	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1131891"	249.15896	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173123"	227.177018	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"613020"	329.270918	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1118867"	125.083118	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1400939"	83.724504	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1431604"	251.200546	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"223848"	232.21004	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510823"	265.25259	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"410871"	235.163988	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"772960"	337.257888	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1668559"	133.070088	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253257"	472.391368	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226045"	268.203568	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714121"	268.227093	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1178491"	91.051818	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1651197"	273.182488	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"160248"	485.29464	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"597416"	689.48244	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1094172"	281.10684	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"148799"	243.150958	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"597000"	345.244858	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1081628"	141.057058	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1114595"	283.121392	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1350858"	283.209007	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017562"	287.248176	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1536779"	288.241808	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"997764"	144.127726	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1596640"	289.156428	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424489"	319.187938	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1154776"	164.641001	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1708704"	336.214485	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1648732"	341.16988	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1584380"	357.14382	"C01860"	"Trichodiene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804903"	191.8857	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M"	0
"988650"	172.86731	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-H2O-H"	-19.01839
"76526"	126.916524	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M-3H"	-3.021828
"517185"	190.878424	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M-3H"	-3.021828
"894262"	62.954624	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-3H"	-3.021828
"13929"	190.878424	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M-2H"	-2.014552
"449847"	286.821274	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M-2H"	-2.014552
"825460"	94.935574	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-2H"	-2.014552
"90554"	382.764124	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M-H"	-1.007276
"529751"	574.649824	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M-H"	-1.007276
"905366"	190.878424	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-H"	-1.007276
"53911"	399.790671	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M-2H+NH4"	16.019271
"493470"	591.676371	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M-2H+NH4"	16.019271
"873456"	207.904971	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-2H+NH4"	16.019271
"41357"	404.746066	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M-2H+Na"	20.974666
"477636"	596.631766	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M-2H+Na"	20.974666
"862366"	212.860366	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-2H+Na"	20.974666
"1631532"	212.860366	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Na-2H"	20.974666
"103688"	208.866763	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M-H+Cl"	33.962126
"543248"	304.809613	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M-H+Cl"	33.962126
"932387"	112.923913	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-H+Cl"	33.962126
"277509"	418.740802	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+Cl"	34.969402
"668837"	610.626502	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+Cl"	34.969402
"1282332"	226.855102	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Cl"	34.969402
"25984"	420.720006	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M-2H+K"	36.948606
"466635"	612.605706	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M-2H+K"	36.948606
"846265"	228.834306	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-2H+K"	36.948606
"1570361"	228.834306	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+K-2H"	36.948606
"957517"	236.883894	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-H+HCOOH"	44.998194
"376463"	428.769601	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+HCOOH-H"	44.998201
"360715"	442.785251	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+Hac-H"	59.013851
"1508047"	250.899551	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Hac-H"	59.013851
"973768"	258.865851	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-H+NaCOOH"	66.980151
"121733"	226.855102	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+2Cl"	69.938804
"564817"	322.797952	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+2Cl"	69.938804
"1034828"	130.912252	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2Cl"	69.938804
"1244566"	270.804585	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Br"	78.918885
"1304463"	272.860572	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Cl+HCOOH"	80.974872
"1323421"	294.842529	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Cl+NaCOOH"	102.956829
"916669"	304.871286	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M-H+CF3COOH"	112.985586
"1292283"	340.847964	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Cl+CF3COOH"	148.962264
"1375914"	156.873024	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H-2H2O"	-35.012676
"1384661"	174.883	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H-H2O"	-17.0027
"285440"	384.778676	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+H"	1.007276
"682236"	576.664376	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+H"	1.007276
"1355304"	192.892976	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H"	1.007276
"131473"	192.892976	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+2H"	2.014552
"571032"	288.835826	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+2H"	2.014552
"1040927"	96.950126	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2H"	2.014552
"207739"	128.931076	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+3H"	3.021828
"649483"	192.892976	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+3H"	3.021828
"1168704"	64.969176	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+3H"	3.021828
"428331"	401.805223	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+NH4"	18.033823
"791877"	593.690923	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+NH4"	18.033823
"1686025"	209.919523	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+NH4"	18.033823
"335759"	201.4062495	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+H+NH4"	19.041099
"726724"	297.3490995	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+H+NH4"	19.041099
"1482731"	105.4633995	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H+NH4"	19.041099
"395212"	406.760618	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+Na"	22.989218
"756938"	598.646318	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+Na"	22.989218
"1606130"	214.874918	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Na"	22.989218
"317261"	203.883947	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+H+Na"	23.996494
"711867"	299.826797	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+H+Na"	23.996494
"1463503"	107.941097	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H+Na"	23.996494
"1057838"	72.29649	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2H+Na"	25.00377
"1263889"	224.919186	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+CH3OH+H"	33.033486
"379914"	422.734558	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+K"	38.963158
"740179"	614.620258	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+K"	38.963158
"1540535"	230.848858	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+K"	38.963158
"299774"	211.870917	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+H+K"	39.970434
"691549"	307.813767	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+H+K"	39.970434
"1445891"	115.928067	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H+K"	39.970434
"236197"	425.805226	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+ACN+H"	42.033826
"1210407"	233.919526	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+ACN+H"	42.033826
"1194853"	117.463401	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+ACN+2H"	43.041102
"189064"	428.74256	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+2Na-H"	44.97116
"629832"	620.62826	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+2Na-H"	44.97116
"1132733"	236.85686	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2Na-H"	44.97116
"173599"	214.874918	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+2Na"	45.978436
"613767"	310.817768	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+2Na"	45.978436
"1117886"	118.932068	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2Na"	45.978436
"1401413"	79.623804	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H+2Na"	46.985712
"1431712"	238.898446	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H+HCOOH"	47.012746
"223958"	219.90794	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+3H2O+2H"	56.04448
"1514213"	252.95049	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+IsoProp+H"	61.06479
"412805"	222.861888	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+Na+K"	61.952376
"772706"	318.804738	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+Na+K"	61.952376
"1667940"	126.919038	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Na+K"	61.952376
"252274"	447.787168	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+ACN+Na"	64.015768
"1226441"	255.901468	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+ACN+Na"	64.015768
"1713015"	255.924993	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+NH4+HCOOH"	64.039293
"1178733"	86.951118	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+3Na"	68.967654
"1649997"	260.880388	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Na+HCOOH"	68.994688
"157239"	460.69044	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+2K-H"	76.91904
"597097"	652.57614	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+2K-H"	76.91904
"1095375"	268.80474	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2K-H"	76.91904
"150003"	230.848858	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"2M+2K"	77.926316
"596707"	326.791708	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"3M+2K"	77.926316
"1083688"	134.906008	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2K"	77.926316
"1115073"	270.819292	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2K+H"	78.933592
"1350726"	270.906907	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+DMSO+H"	79.021207
"1019616"	274.946076	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2ACN+H"	83.060376
"1535796"	275.939708	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+IsoProp+Na+H"	84.054008
"1003341"	137.976676	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+2ACN+2H"	84.067652
"1598937"	276.854328	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+K+HCOOH"	84.968628
"1423506"	306.885838	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+H+CF3COOH"	115.000138
"1153793"	158.489951	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+3ACN+2H"	125.094202
"1709907"	323.912385	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+NH4+CF3COOH"	132.026685
"1648842"	328.86778	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+Na+CF3COOH"	136.98208
"1584490"	344.84172	"C01861"	"Trithionate;(O3SSSO3)2-"	"S3O6"	"191.8857"	"M+K+CF3COOH"	152.95602
"811574"	546.1526	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M"	0
"989575"	527.13421	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-H2O-H"	-19.01839
"76636"	363.094457333333	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M-3H"	-3.021828
"517293"	545.145324	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M-3H"	-3.021828
"892911"	181.043590666667	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-3H"	-3.021828
"13668"	545.145324	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M-2H"	-2.014552
"453233"	818.221624	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M-2H"	-2.014552
"829944"	272.069024	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-2H"	-2.014552
"89571"	1091.297924	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M-H"	-1.007276
"528403"	1637.450524	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M-H"	-1.007276
"907663"	545.145324	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-H"	-1.007276
"55111"	1108.324471	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M-2H+NH4"	16.019271
"489206"	1654.477071	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M-2H+NH4"	16.019271
"872473"	562.171871	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-2H+NH4"	16.019271
"41467"	1113.279866	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M-2H+Na"	20.974666
"478839"	1659.432466	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M-2H+Na"	20.974666
"862110"	567.127266	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-2H+Na"	20.974666
"1626175"	567.127266	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Na-2H"	20.974666
"104891"	563.133663	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M-H+Cl"	33.962126
"542264"	836.209963	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M-H+Cl"	33.962126
"928487"	290.057363	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-H+Cl"	33.962126
"278712"	1127.274602	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+Cl"	34.969402
"672226"	1673.427202	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+Cl"	34.969402
"1282442"	581.122002	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Cl"	34.969402
"28281"	1129.253806	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M-2H+K"	36.948606
"466745"	1675.406406	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M-2H+K"	36.948606
"847107"	583.101206	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-2H+K"	36.948606
"1570961"	583.101206	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+K-2H"	36.948606
"958169"	591.150794	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-H+HCOOH"	44.998194
"377034"	1137.303401	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+HCOOH-H"	44.998201
"360582"	1151.319051	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+Hac-H"	59.013851
"1508379"	605.166451	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Hac-H"	59.013851
"974163"	613.132751	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-H+NaCOOH"	66.980151
"125124"	581.122002	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+2Cl"	69.938804
"565658"	854.198302	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+2Cl"	69.938804
"1035303"	308.045702	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2Cl"	69.938804
"1245769"	625.071485	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Br"	78.918885
"1306759"	627.127472	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Cl+HCOOH"	80.974872
"1325717"	649.109429	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Cl+NaCOOH"	102.956829
"920058"	659.138186	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M-H+CF3COOH"	112.985586
"1293850"	695.114864	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Cl+CF3COOH"	148.962264
"1376023"	511.139924	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H-2H2O"	-35.012676
"1390237"	529.1499	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H-H2O"	-17.0027
"291016"	1093.312476	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+H"	1.007276
"681614"	1639.465076	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+H"	1.007276
"1356506"	547.159876	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H"	1.007276
"130489"	547.159876	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+2H"	2.014552
"571144"	820.236176	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+2H"	2.014552
"1039947"	274.083576	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2H"	2.014552
"210036"	365.109009333333	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+3H"	3.021828
"649593"	547.159876	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+3H"	3.021828
"1168813"	183.058142666667	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+3H"	3.021828
"430262"	1110.339023	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+NH4"	18.033823
"793080"	1656.491623	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+NH4"	18.033823
"1686133"	564.186423	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+NH4"	18.033823
"334776"	555.6731495	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+H+NH4"	19.041099
"727196"	828.7494495	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+H+NH4"	19.041099
"1482840"	282.5968495	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H+NH4"	19.041099
"393864"	1115.294418	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+Na"	22.989218
"755102"	1661.447018	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+Na"	22.989218
"1608427"	569.141818	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Na"	22.989218
"319559"	558.150847	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+H+Na"	23.996494
"708698"	831.227147	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+H+Na"	23.996494
"1469082"	285.074547	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H+Na"	23.996494
"1055764"	190.385456666667	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2H+Na"	25.00377
"1262908"	579.186086	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+CH3OH+H"	33.033486
"378932"	1131.268358	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+K"	38.963158
"740535"	1677.420958	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+K"	38.963158
"1540644"	585.115758	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+K"	38.963158
"299521"	566.137817	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+H+K"	39.970434
"692303"	839.214117	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+H+K"	39.970434
"1445620"	293.061517	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H+K"	39.970434
"236430"	1134.339026	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+ACN+H"	42.033826
"1212546"	588.186426	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+ACN+H"	42.033826
"1195940"	294.596851	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+ACN+2H"	43.041102
"188805"	1137.27636	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+2Na-H"	44.97116
"630552"	1683.42896	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+2Na-H"	44.97116
"1132354"	591.12376	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2Na-H"	44.97116
"173587"	569.141818	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+2Na"	45.978436
"613877"	842.218118	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+2Na"	45.978436
"1117269"	296.065518	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2Na"	45.978436
"1401525"	197.712770666667	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H+2Na"	46.985712
"1432553"	593.165346	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H+HCOOH"	47.012746
"227350"	574.17484	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+3H2O+2H"	56.04448
"1510313"	607.21739	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+IsoProp+H"	61.06479
"411822"	577.128788	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+Na+K"	61.952376
"772452"	850.205088	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+Na+K"	61.952376
"1670242"	304.052488	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Na+K"	61.952376
"253115"	1156.320968	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+ACN+Na"	64.015768
"1227279"	610.168368	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+ACN+Na"	64.015768
"1714708"	610.191893	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+NH4+HCOOH"	64.039293
"1178968"	205.040084666667	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+3Na"	68.967654
"1650798"	615.147288	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Na+HCOOH"	68.994688
"157660"	1169.22424	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+2K-H"	76.91904
"597590"	1715.37684	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+2K-H"	76.91904
"1084910"	623.07164	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2K-H"	76.91904
"151207"	585.115758	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"2M+2K"	77.926316
"596692"	858.192058	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"3M+2K"	77.926316
"1083797"	312.039458	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2K"	77.926316
"1114335"	625.086192	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2K+H"	78.933592
"1350836"	625.173807	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+DMSO+H"	79.021207
"1017782"	629.212976	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2ACN+H"	83.060376
"1535909"	630.206608	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+IsoProp+Na+H"	84.054008
"1002357"	315.110126	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+2ACN+2H"	84.067652
"1599048"	631.121228	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+K+HCOOH"	84.968628
"1426897"	661.152738	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+H+CF3COOH"	115.000138
"1156090"	335.623401	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+3ACN+2H"	125.094202
"1707830"	678.179285	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+NH4+CF3COOH"	132.026685
"1647859"	683.13468	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+Na+CF3COOH"	136.98208
"1584600"	699.10862	"C01863"	"Xanthoaphin;Xanthoaphin fb"	"C30H26O10"	"546.1526"	"M+K+CF3COOH"	152.95602
"805123"	216.0423	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M"	0
"988505"	197.02391	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H2O-H"	-19.01839
"75653"	143.020924	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-3H"	-3.021828
"518301"	215.035024	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-3H"	-3.021828
"893754"	71.006824	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-3H"	-3.021828
"13778"	215.035024	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H"	-2.014552
"454435"	323.056174	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H"	-2.014552
"830904"	107.013874	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H"	-2.014552
"92230"	431.077324	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-H"	-1.007276
"531791"	647.119624	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-H"	-1.007276
"908503"	215.035024	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H"	-1.007276
"55221"	448.103871	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H+NH4"	16.019271
"495877"	664.146171	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H+NH4"	16.019271
"870397"	232.061571	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H+NH4"	16.019271
"41577"	453.059266	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H+Na"	20.974666
"478949"	669.101566	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H+Na"	20.974666
"861127"	237.016966	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H+Na"	20.974666
"1628471"	237.016966	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na-2H"	20.974666
"107917"	233.023363	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-H+Cl"	33.962126
"542374"	341.044513	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-H+Cl"	33.962126
"931147"	125.002213	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+Cl"	33.962126
"277729"	467.054002	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Cl"	34.969402
"666867"	683.096302	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+Cl"	34.969402
"1283645"	251.011702	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl"	34.969402
"28391"	469.033206	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M-2H+K"	36.948606
"466855"	685.075506	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M-2H+K"	36.948606
"847580"	252.990906	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-2H+K"	36.948606
"1570707"	252.990906	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K-2H"	36.948606
"958189"	261.040494	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+HCOOH"	44.998194
"376849"	477.082801	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+HCOOH-H"	44.998201
"360449"	491.098451	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Hac-H"	59.013851
"1508107"	275.056151	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Hac-H"	59.013851
"973946"	283.022451	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+NaCOOH"	66.980151
"123412"	251.011702	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2Cl"	69.938804
"562968"	359.032852	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2Cl"	69.938804
"1036141"	142.990552	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2Cl"	69.938804
"1244786"	294.961185	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Br"	78.918885
"1306141"	297.017172	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl+HCOOH"	80.974872
"1321448"	318.999129	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl+NaCOOH"	102.956829
"919075"	329.027886	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M-H+CF3COOH"	112.985586
"1294689"	365.004564	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Cl+CF3COOH"	148.962264
"1376133"	181.029624	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H-2H2O"	-35.012676
"1390347"	199.0396	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H-H2O"	-17.0027
"291126"	433.091876	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H"	1.007276
"681359"	649.134176	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H"	1.007276
"1356616"	217.049576	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H"	1.007276
"130233"	217.049576	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2H"	2.014552
"571254"	325.070726	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2H"	2.014552
"1040781"	109.028426	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2H"	2.014552
"210146"	145.035476	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+3H"	3.021828
"651890"	217.049576	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+3H"	3.021828
"1168923"	73.021376	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+3H"	3.021828
"430370"	450.118423	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+NH4"	18.033823
"793190"	666.160723	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+NH4"	18.033823
"1686242"	234.076123	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+NH4"	18.033823
"336708"	225.5628495	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H+NH4"	19.041099
"725849"	333.5839995	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H+NH4"	19.041099
"1478575"	117.5416995	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+NH4"	19.041099
"394095"	455.073818	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Na"	22.989218
"754522"	671.116118	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+Na"	22.989218
"1607443"	239.031518	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na"	22.989218
"318574"	228.040547	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H+Na"	23.996494
"708807"	336.061697	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H+Na"	23.996494
"1465912"	120.019397	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+Na"	23.996494
"1056965"	80.34869	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2H+Na"	25.00377
"1260102"	249.075786	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+CH3OH+H"	33.033486
"380134"	471.047758	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+K"	38.963158
"740766"	687.090058	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+K"	38.963158
"1540063"	255.005458	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K"	38.963158
"299627"	236.027517	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+H+K"	39.970434
"692173"	344.048667	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+H+K"	39.970434
"1445911"	128.006367	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+K"	39.970434
"235821"	474.118426	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+ACN+H"	42.033826
"1210832"	258.076126	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+ACN+H"	42.033826
"1194591"	129.541701	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+ACN+2H"	43.041102
"189284"	477.05576	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2Na-H"	44.97116
"629327"	693.09806	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2Na-H"	44.97116
"1132104"	261.01346	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2Na-H"	44.97116
"173031"	239.031518	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2Na"	45.978436
"614716"	347.052668	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2Na"	45.978436
"1117741"	131.010368	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2Na"	45.978436
"1400173"	87.676004	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+2Na"	46.985712
"1434486"	263.055046	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+HCOOH"	47.012746
"225273"	244.06454	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+3H2O+2H"	56.04448
"1511516"	277.10709	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+IsoProp+H"	61.06479
"413389"	247.018488	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+Na+K"	61.952376
"772562"	355.039638	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+Na+K"	61.952376
"1670352"	138.997338	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na+K"	61.952376
"254678"	496.100368	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+ACN+Na"	64.015768
"1227268"	280.058068	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+ACN+Na"	64.015768
"1713359"	280.081593	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+NH4+HCOOH"	64.039293
"1179684"	95.003318	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+3Na"	68.967654
"1650260"	285.036988	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na+HCOOH"	68.994688
"158990"	509.00364	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2K-H"	76.91904
"597703"	725.04594	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2K-H"	76.91904
"1086476"	292.96134	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2K-H"	76.91904
"152409"	255.005458	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"2M+2K"	77.926316
"594903"	363.026608	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"3M+2K"	77.926316
"1083583"	146.984308	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2K"	77.926316
"1114444"	294.975892	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2K+H"	78.933592
"1348271"	295.063507	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+DMSO+H"	79.021207
"1018621"	299.102676	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2ACN+H"	83.060376
"1537112"	300.096308	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+IsoProp+Na+H"	84.054008
"1001374"	150.054976	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+2ACN+2H"	84.067652
"1598064"	301.010928	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K+HCOOH"	84.968628
"1425914"	331.042438	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+H+CF3COOH"	115.000138
"1156200"	170.568251	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+3ACN+2H"	125.094202
"1707940"	348.068985	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+NH4+CF3COOH"	132.026685
"1647969"	353.02438	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+Na+CF3COOH"	136.98208
"1584710"	368.99832	"C01864"	"Xanthotoxin;Methoxsalen;O-Methylxanthotoxol;8-Methoxypsoralen;8-Methoxyfuranocoumarin"	"C12H8O4"	"216.0423"	"M+K+CF3COOH"	152.95602
"805233"	419.0551	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M"	0
"988984"	400.03671	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-H2O-H"	-19.01839
"78392"	278.362790666667	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M-3H"	-3.021828
"518129"	418.047824	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M-3H"	-3.021828
"895369"	138.677757333333	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-3H"	-3.021828
"15394"	418.047824	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M-2H"	-2.014552
"451272"	627.575374	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M-2H"	-2.014552
"831258"	208.520274	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-2H"	-2.014552
"88700"	837.102924	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M-H"	-1.007276
"530813"	1256.158024	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M-H"	-1.007276
"909342"	418.047824	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-H"	-1.007276
"55333"	854.129471	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M-2H+NH4"	16.019271
"489426"	1273.184571	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M-2H+NH4"	16.019271
"876705"	435.074371	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-2H+NH4"	16.019271
"44969"	859.084866	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M-2H+Na"	20.974666
"484531"	1278.139966	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M-2H+Na"	20.974666
"862331"	440.029766	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-2H+Na"	20.974666
"1631862"	440.029766	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Na-2H"	20.974666
"106205"	436.036163	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M-H+Cl"	33.962126
"547954"	645.563713	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M-H+Cl"	33.962126
"939282"	226.508613	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-H+Cl"	33.962126
"280764"	873.079602	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+Cl"	34.969402
"671353"	1292.134702	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+Cl"	34.969402
"1287850"	454.024502	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Cl"	34.969402
"29479"	875.058806	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M-2H+K"	36.948606
"470254"	1294.113906	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M-2H+K"	36.948606
"847324"	456.003706	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-2H+K"	36.948606
"1570083"	456.003706	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+K-2H"	36.948606
"958327"	464.053294	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-H+HCOOH"	44.998194
"376589"	883.108401	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+HCOOH-H"	44.998201
"361127"	897.124051	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+Hac-H"	59.013851
"1508311"	478.068951	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Hac-H"	59.013851
"974185"	486.035251	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-H+NaCOOH"	66.980151
"125555"	454.024502	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+2Cl"	69.938804
"565477"	663.552052	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+2Cl"	69.938804
"1036253"	244.496952	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2Cl"	69.938804
"1245992"	497.973985	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Br"	78.918885
"1306254"	500.029972	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Cl+HCOOH"	80.974872
"1332868"	522.011929	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Cl+NaCOOH"	102.956829
"921740"	532.040686	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M-H+CF3COOH"	112.985586
"1295893"	568.017364	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Cl+CF3COOH"	148.962264
"1376974"	384.042424	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H-2H2O"	-35.012676
"1393738"	402.0524	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H-H2O"	-17.0027
"294518"	839.117476	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+H"	1.007276
"681472"	1258.172576	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+H"	1.007276
"1362194"	420.062376	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H"	1.007276
"129250"	420.062376	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+2H"	2.014552
"572458"	629.589926	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+2H"	2.014552
"1041262"	210.534826	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2H"	2.014552
"208434"	280.377342666667	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+3H"	3.021828
"649814"	420.062376	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+3H"	3.021828
"1170125"	140.692309333333	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+3H"	3.021828
"430120"	856.144023	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+NH4"	18.033823
"791116"	1275.199123	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+NH4"	18.033823
"1685259"	437.088923	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+NH4"	18.033823
"332080"	428.5756495	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+H+NH4"	19.041099
"724259"	638.1031995	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+H+NH4"	19.041099
"1483060"	219.0480995	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H+NH4"	19.041099
"392945"	861.099418	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+Na"	22.989218
"756174"	1280.154518	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+Na"	22.989218
"1604514"	442.044318	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Na"	22.989218
"318684"	431.053347	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+H+Na"	23.996494
"712200"	640.580897	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+H+Na"	23.996494
"1466022"	221.525797	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H+Na"	23.996494
"1054889"	148.019623333333	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2H+Na"	25.00377
"1258146"	452.088586	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+CH3OH+H"	33.033486
"377190"	877.073358	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+K"	38.963158
"739415"	1296.128458	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+K"	38.963158
"1540083"	458.018258	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+K"	38.963158
"298758"	439.040317	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+H+K"	39.970434
"691546"	648.567867	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+H+K"	39.970434
"1445858"	229.512767	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H+K"	39.970434
"235959"	880.144026	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+ACN+H"	42.033826
"1210331"	461.088926	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+ACN+H"	42.033826
"1197377"	231.048101	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+ACN+2H"	43.041102
"188622"	883.08136	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+2Na-H"	44.97116
"628949"	1302.13646	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+2Na-H"	44.97116
"1131648"	464.02626	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2Na-H"	44.97116
"172909"	442.044318	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+2Na"	45.978436
"613613"	651.571868	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+2Na"	45.978436
"1117852"	232.516768	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2Na"	45.978436
"1400648"	155.346937333333	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H+2Na"	46.985712
"1436783"	466.067846	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H+HCOOH"	47.012746
"224290"	447.07734	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+3H2O+2H"	56.04448
"1510165"	480.11989	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+IsoProp+H"	61.06479
"410947"	450.031288	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+Na+K"	61.952376
"771944"	659.558838	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+Na+K"	61.952376
"1670462"	240.503738	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Na+K"	61.952376
"252726"	902.125968	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+ACN+Na"	64.015768
"1226893"	483.070868	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+ACN+Na"	64.015768
"1713959"	483.094393	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+NH4+HCOOH"	64.039293
"1180283"	162.674251333333	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+3Na"	68.967654
"1650901"	488.049788	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Na+HCOOH"	68.994688
"158373"	915.02924	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+2K-H"	76.91904
"598664"	1334.08434	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+2K-H"	76.91904
"1088409"	495.97414	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2K-H"	76.91904
"150332"	458.018258	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"2M+2K"	77.926316
"594894"	667.545808	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"3M+2K"	77.926316
"1082681"	248.490708	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2K"	77.926316
"1113341"	497.988692	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2K+H"	78.933592
"1350209"	498.076307	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+DMSO+H"	79.021207
"1020442"	502.115476	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2ACN+H"	83.060376
"1538196"	503.109108	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+IsoProp+Na+H"	84.054008
"1003307"	251.561376	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+2ACN+2H"	84.067652
"1602308"	504.023728	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+K+HCOOH"	84.968628
"1427486"	534.055238	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+H+CF3COOH"	115.000138
"1162469"	272.074651	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+3ACN+2H"	125.094202
"1710237"	551.081785	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+NH4+CF3COOH"	132.026685
"1648079"	556.03718	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+Na+CF3COOH"	136.98208
"1584820"	572.01112	"C01865"	"Zopolrestat"	"C19H12F3N3O3S"	"419.0551"	"M+K+CF3COOH"	152.95602
"805345"	150.1045	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M"	0
"978879"	131.08611	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"78253"	99.0623906666667	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"516535"	149.097224	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"895067"	49.0275573333333	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"15533"	149.097224	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"451383"	224.149474	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"828819"	74.044974	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"89175"	299.201724	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"530196"	449.306224	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"907632"	149.097224	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"54351"	316.228271	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"491721"	466.332771	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"868429"	166.123771	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"45083"	321.183666	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"481362"	471.288166	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"859162"	171.079166	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1626506"	171.079166	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"108504"	167.085563	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"547705"	242.137813	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"941951"	92.033313	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"279415"	335.178402	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"674509"	485.282902	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1288091"	185.073902	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"31015"	337.157606	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"470368"	487.262106	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"846344"	187.053106	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1571049"	187.053106	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"957958"	195.102694	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"376175"	345.207201	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"361269"	359.222851	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1506698"	209.118351	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"971443"	217.084651	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"125454"	185.073902	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"553350"	260.126152	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1027618"	110.021652	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1253760"	229.023385	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1314021"	231.079372	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1332979"	253.061329	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"924402"	263.090086	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1301840"	299.066764	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1378177"	115.091824	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1389477"	133.1018	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"294630"	301.216276	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"683771"	451.320776	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1362305"	151.111776	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"133006"	151.111776	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"570380"	226.164026	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1042468"	76.059526	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"209276"	101.076942666667	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"647377"	151.111776	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1165869"	51.0421093333333	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"426952"	318.242823	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"787946"	468.347323	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1681848"	168.138323	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"331829"	159.6250495	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"724250"	234.6772995	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1484266"	84.5727995	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"394561"	323.198218	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"754383"	473.302718	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1604387"	173.093718	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"317703"	162.102747	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"710125"	237.154997	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1461631"	87.050497	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1053181"	58.3694233333333	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1257891"	183.137986	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"377177"	339.172158	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"738549"	489.276658	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1540244"	189.067658	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"298915"	170.089717	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"692275"	245.141967	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1447919"	95.037467	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"237616"	342.242826	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1210809"	192.138326	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1194646"	96.572801	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"189017"	345.18016	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"629549"	495.28466	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1131724"	195.07566	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"174168"	173.093718	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"616284"	248.145968	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1116504"	98.041468	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1399662"	65.6967373333333	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1430081"	197.117246	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"220077"	178.12674	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1509549"	211.16929	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"411787"	181.080688	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"772055"	256.132938	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1665872"	106.028438	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"252347"	364.224768	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1225951"	214.120268	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1712976"	214.143793	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1179419"	73.0240513333333	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1649918"	219.099188	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"157294"	377.12804	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"602546"	527.23254	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1098259"	227.02354	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"155197"	189.067658	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"593666"	264.119908	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1081461"	114.015408	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1114301"	229.038092	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1349713"	229.125707	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1019094"	233.164876	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1536246"	234.158508	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1002693"	117.086076	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1601569"	235.073128	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1426138"	265.104638	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1159707"	137.599351	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1711809"	282.131185	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1649284"	287.08658	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1584932"	303.06052	"C01868"	"()-Sabinone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"805455"	167.0946	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M"	0
"975706"	148.07621	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"78265"	110.389124	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"517741"	166.087324	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"895300"	54.690924	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"15092"	166.087324	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"450399"	249.634624	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"829658"	82.540024	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"87098"	333.181924	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"529937"	500.276524	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"907743"	166.087324	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"52274"	350.208471	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"490739"	517.303071	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"874008"	183.113871	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"43372"	355.163866	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"483295"	522.258466	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"860001"	188.069266	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1626616"	188.069266	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"104238"	184.075663	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"548182"	267.622963	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"942512"	100.528363	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"282447"	369.158602	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"674864"	536.253202	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1288423"	202.064002	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"29824"	371.137806	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"471136"	538.232406	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"847915"	204.043206	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1569577"	204.043206	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"957459"	212.092794	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"373850"	379.187401	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"357732"	393.203051	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1506564"	226.108451	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"973382"	234.074751	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"124469"	202.064002	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"557834"	285.611302	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1026635"	118.516702	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1253870"	246.013485	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1314131"	248.069472	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1334184"	270.051429	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"924876"	280.080186	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1298303"	316.056864	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1378287"	132.081924	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1389587"	150.0919	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"293647"	335.196476	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"682788"	502.291076	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1362051"	168.101876	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"132023"	168.101876	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"570491"	251.649176	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1042578"	84.554576	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"207927"	112.403676	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"647487"	168.101876	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1163788"	56.705476	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"426330"	352.223023	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"789150"	519.317623	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1684388"	185.128423	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"333760"	176.6151495	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"723508"	260.1624495	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1481096"	93.0678495	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"393940"	357.178418	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"755305"	524.273018	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1602839"	190.083818	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"314528"	179.092847	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"709142"	262.640147	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1462105"	95.545547	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1053528"	64.03279	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1257875"	200.128086	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"377545"	373.152358	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"739279"	540.246958	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1540230"	206.057758	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"298672"	187.079817	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"692060"	270.627117	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1446079"	103.532517	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"236014"	376.223026	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1210186"	209.128426	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1195283"	105.067851	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"190462"	379.16036	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"632580"	546.25496	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1134260"	212.06576	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"174637"	190.083818	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"614201"	273.631118	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1116613"	106.536518	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1399648"	71.360104	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1431283"	214.107346	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"220259"	195.11684	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1508930"	228.15939	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"409345"	198.070788	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"771072"	281.618088	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1666063"	114.523488	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"252130"	398.204968	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1226098"	231.110368	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1712914"	231.133893	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1178796"	78.687418	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1650510"	236.089288	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"157322"	411.10824	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"601563"	578.20284	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1091549"	244.01364	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"155307"	206.057758	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"595595"	289.605058	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1084078"	122.510458	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1113683"	246.028192	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1349461"	246.115807	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1019690"	250.154976	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1538179"	251.148608	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"1003897"	125.581126	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1602529"	252.063228	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1427342"	282.094738	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1159818"	146.094401	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1711553"	299.121285	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1649394"	304.07668	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1585042"	320.05062	"C01869"	"(-)-Sympatol;(-)-Synephrine;(R)-Synephrine"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"805565"	427.1478	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M"	0
"975816"	408.12941	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-H2O-H"	-19.01839
"73907"	283.757924	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M-3H"	-3.021828
"517359"	426.140524	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M-3H"	-3.021828
"894559"	141.375324	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-3H"	-3.021828
"10939"	426.140524	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M-2H"	-2.014552
"450874"	639.714424	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M-2H"	-2.014552
"829040"	212.566624	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-2H"	-2.014552
"89397"	853.288324	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M-H"	-1.007276
"529322"	1280.436124	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M-H"	-1.007276
"908212"	426.140524	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-H"	-1.007276
"54571"	870.314871	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M-2H+NH4"	16.019271
"496317"	1297.462671	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M-2H+NH4"	16.019271
"870839"	443.167071	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-2H+NH4"	16.019271
"41659"	875.270266	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M-2H+Na"	20.974666
"483771"	1302.418066	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M-2H+Na"	20.974666
"860475"	448.122466	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-2H+Na"	20.974666
"1626727"	448.122466	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Na-2H"	20.974666
"104348"	444.128863	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M-H+Cl"	33.962126
"547197"	657.702763	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M-H+Cl"	33.962126
"942055"	230.554963	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-H+Cl"	33.962126
"282315"	889.265002	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+Cl"	34.969402
"673880"	1316.412802	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+Cl"	34.969402
"1288361"	462.117202	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Cl"	34.969402
"31079"	891.244206	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M-2H+K"	36.948606
"470598"	1318.392006	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M-2H+K"	36.948606
"848112"	464.096406	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-2H+K"	36.948606
"1568231"	464.096406	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+K-2H"	36.948606
"956114"	472.145994	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-H+HCOOH"	44.998194
"373960"	899.293801	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+HCOOH-H"	44.998201
"357478"	913.309451	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+Hac-H"	59.013851
"1506799"	486.161651	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Hac-H"	59.013851
"972399"	494.127951	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-H+NaCOOH"	66.980151
"124218"	462.117202	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+2Cl"	69.938804
"563411"	675.691102	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+2Cl"	69.938804
"1026745"	248.543302	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2Cl"	69.938804
"1251794"	506.066685	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Br"	78.918885
"1313148"	508.122672	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Cl+HCOOH"	80.974872
"1334660"	530.104629	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Cl+NaCOOH"	102.956829
"924623"	540.133386	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M-H+CF3COOH"	112.985586
"1298413"	576.110064	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Cl+CF3COOH"	148.962264
"1374386"	392.135124	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H-2H2O"	-35.012676
"1390788"	410.1451	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H-H2O"	-17.0027
"291568"	855.302876	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+H"	1.007276
"685083"	1282.450676	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+H"	1.007276
"1359244"	428.155076	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H"	1.007276
"128853"	428.155076	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+2H"	2.014552
"569871"	641.728976	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+2H"	2.014552
"1042688"	214.581176	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2H"	2.014552
"207309"	285.772476	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+3H"	3.021828
"647233"	428.155076	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+3H"	3.021828
"1166088"	143.389876	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+3H"	3.021828
"426803"	872.329423	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+NH4"	18.033823
"788531"	1299.477223	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+NH4"	18.033823
"1684862"	445.181623	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+NH4"	18.033823
"337150"	436.6683495	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+H+NH4"	19.041099
"724468"	650.2422495	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+H+NH4"	19.041099
"1478284"	223.0944495	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H+NH4"	19.041099
"394415"	877.284818	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+Na"	22.989218
"755289"	1304.432618	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+Na"	22.989218
"1605700"	450.137018	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Na"	22.989218
"316098"	439.146047	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+H+Na"	23.996494
"708280"	652.719947	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+H+Na"	23.996494
"1463072"	225.572147	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H+Na"	23.996494
"1055223"	150.71719	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2H+Na"	25.00377
"1257626"	460.181286	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+CH3OH+H"	33.033486
"378020"	893.258758	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+K"	38.963158
"739630"	1320.406558	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+K"	38.963158
"1540832"	466.110958	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+K"	38.963158
"300073"	447.133017	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+H+K"	39.970434
"692861"	660.706917	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+H+K"	39.970434
"1446437"	233.559117	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H+K"	39.970434
"237228"	896.329426	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+ACN+H"	42.033826
"1211514"	469.181626	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+ACN+H"	42.033826
"1196980"	235.094451	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+ACN+2H"	43.041102
"189852"	899.26676	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+2Na-H"	44.97116
"631961"	1326.41456	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+2Na-H"	44.97116
"1134005"	472.11896	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2Na-H"	44.97116
"174386"	450.137018	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+2Na"	45.978436
"614676"	663.710918	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+2Na"	45.978436
"1122563"	236.563118	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2Na"	45.978436
"1401342"	158.044504	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H+2Na"	46.985712
"1431029"	474.160546	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H+HCOOH"	47.012746
"220611"	455.17004	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+3H2O+2H"	56.04448
"1508876"	488.21259	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+IsoProp+H"	61.06479
"409819"	458.123988	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+Na+K"	61.952376
"773002"	671.697888	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+Na+K"	61.952376
"1666416"	244.550088	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Na+K"	61.952376
"253661"	918.311368	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+ACN+Na"	64.015768
"1226249"	491.163568	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+ACN+Na"	64.015768
"1713104"	491.187093	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+NH4+HCOOH"	64.039293
"1179636"	165.371818	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+3Na"	68.967654
"1651228"	496.142488	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Na+HCOOH"	68.994688
"157601"	931.21464	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+2K-H"	76.91904
"602766"	1358.36244	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+2K-H"	76.91904
"1087648"	504.06684	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2K-H"	76.91904
"156267"	466.110958	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"2M+2K"	77.926316
"593519"	679.684858	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"3M+2K"	77.926316
"1083822"	252.537058	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2K"	77.926316
"1114035"	506.081392	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2K+H"	78.933592
"1348355"	506.169007	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+DMSO+H"	79.021207
"1020402"	510.208176	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2ACN+H"	83.060376
"1536467"	511.201808	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+IsoProp+Na+H"	84.054008
"1003766"	255.607726	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+2ACN+2H"	84.067652
"1601786"	512.116428	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+K+HCOOH"	84.968628
"1427451"	542.147938	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+H+CF3COOH"	115.000138
"1159927"	276.121001	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+3ACN+2H"	125.094202
"1710935"	559.174485	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+NH4+CF3COOH"	132.026685
"1649504"	564.12988	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+Na+CF3COOH"	136.98208
"1585152"	580.10382	"C01870"	"Vicianin;(R)-Vicianin"	"C19H25NO10"	"427.1478"	"M+K+CF3COOH"	152.95602
"815152"	120.0067	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M"	0
"979208"	100.98831	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-H2O-H"	-19.01839
"74017"	78.9971906666667	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M-3H"	-3.021828
"517470"	118.999424	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M-3H"	-3.021828
"895159"	38.9949573333333	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-3H"	-3.021828
"15263"	118.999424	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M-2H"	-2.014552
"454383"	179.002774	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M-2H"	-2.014552
"831577"	58.996074	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-2H"	-2.014552
"90238"	239.006124	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M-H"	-1.007276
"530525"	359.012824	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M-H"	-1.007276
"907597"	118.999424	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-H"	-1.007276
"58690"	256.032671	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M-2H+NH4"	16.019271
"493146"	376.039371	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M-2H+NH4"	16.019271
"876415"	136.025971	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-2H+NH4"	16.019271
"41036"	260.988066	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M-2H+Na"	20.974666
"483878"	380.994766	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M-2H+Na"	20.974666
"859490"	140.981366	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-2H+Na"	20.974666
"1626835"	140.981366	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Na-2H"	20.974666
"106646"	136.987763	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M-H+Cl"	33.962126
"547672"	196.991113	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M-H+Cl"	33.962126
"942419"	76.984413	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-H+Cl"	33.962126
"282436"	274.982802	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+Cl"	34.969402
"674599"	394.989502	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+Cl"	34.969402
"1287867"	154.976102	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Cl"	34.969402
"31216"	276.962006	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M-2H+K"	36.948606
"470587"	396.968706	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M-2H+K"	36.948606
"847780"	156.955306	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-2H+K"	36.948606
"1570288"	156.955306	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+K-2H"	36.948606
"956952"	165.004894	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-H+HCOOH"	44.998194
"375895"	285.011601	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+HCOOH-H"	44.998201
"359778"	299.027251	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+Hac-H"	59.013851
"1507396"	179.020551	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Hac-H"	59.013851
"972506"	186.986851	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-H+NaCOOH"	66.980151
"123235"	154.976102	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+2Cl"	69.938804
"558054"	214.979452	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+2Cl"	69.938804
"1027219"	94.972752	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2Cl"	69.938804
"1256487"	198.925585	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Br"	78.918885
"1315813"	200.981572	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Cl+HCOOH"	80.974872
"1335017"	222.963529	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Cl+NaCOOH"	102.956829
"922180"	232.992286	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M-H+CF3COOH"	112.985586
"1297065"	268.968964	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Cl+CF3COOH"	148.962264
"1377414"	84.994024	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H-2H2O"	-35.012676
"1389806"	103.004	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H-H2O"	-17.0027
"291678"	241.020676	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+H"	1.007276
"688114"	361.027376	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+H"	1.007276
"1361911"	121.013976	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H"	1.007276
"134432"	121.013976	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+2H"	2.014552
"571805"	181.017326	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+2H"	2.014552
"1045350"	61.010626	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2H"	2.014552
"210699"	81.0117426666667	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+3H"	3.021828
"656456"	121.013976	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+3H"	3.021828
"1169479"	41.0095093333333	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+3H"	3.021828
"430563"	258.047223	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+NH4"	18.033823
"788641"	378.053923	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+NH4"	18.033823
"1684972"	138.040523	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+NH4"	18.033823
"333980"	129.5272495	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+H+NH4"	19.041099
"726402"	189.5305995	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+H+NH4"	19.041099
"1481316"	69.5238995	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H+NH4"	19.041099
"395982"	263.002618	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+Na"	22.989218
"756620"	383.009318	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+Na"	22.989218
"1605810"	142.995918	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Na"	22.989218
"317666"	132.004947	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+H+Na"	23.996494
"708391"	192.008297	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+H+Na"	23.996494
"1465368"	72.001597	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H+Na"	23.996494
"1054364"	48.3368233333333	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2H+Na"	25.00377
"1263573"	153.040186	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+CH3OH+H"	33.033486
"377524"	278.976558	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+K"	38.963158
"740957"	398.983258	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+K"	38.963158
"1543373"	158.969858	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+K"	38.963158
"303829"	139.991917	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+H+K"	39.970434
"695888"	199.995267	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+H+K"	39.970434
"1448982"	79.988567	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H+K"	39.970434
"236607"	282.047226	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+ACN+H"	42.033826
"1211751"	162.040526	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+ACN+H"	42.033826
"1195997"	81.523901	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+ACN+2H"	43.041102
"191056"	284.98456	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+2Na-H"	44.97116
"634988"	404.99126	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+2Na-H"	44.97116
"1133758"	164.97786	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2Na-H"	44.97116
"174737"	142.995918	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+2Na"	45.978436
"614662"	202.999268	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+2Na"	45.978436
"1117200"	82.992568	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2Na"	45.978436
"1400486"	55.6641373333333	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H+2Na"	46.985712
"1430289"	167.019446	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H+HCOOH"	47.012746
"223641"	148.02894	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+3H2O+2H"	56.04448
"1514985"	181.07149	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+IsoProp+H"	61.06479
"410659"	150.982888	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+Na+K"	61.952376
"776760"	210.986238	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+Na+K"	61.952376
"1670903"	90.979538	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Na+K"	61.952376
"251952"	304.029168	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+ACN+Na"	64.015768
"1226480"	184.022468	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+ACN+Na"	64.015768
"1714274"	184.045993	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+NH4+HCOOH"	64.039293
"1179265"	62.9914513333333	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+3Na"	68.967654
"1650981"	189.001388	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Na+HCOOH"	68.994688
"157355"	316.93244	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+2K-H"	76.91904
"597335"	436.93914	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+2K-H"	76.91904
"1090675"	196.92574	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2K-H"	76.91904
"156491"	158.969858	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"2M+2K"	77.926316
"596053"	218.973208	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"3M+2K"	77.926316
"1082876"	98.966508	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2K"	77.926316
"1113536"	198.940292	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2K+H"	78.933592
"1347372"	199.027907	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+DMSO+H"	79.021207
"1018088"	203.067076	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2ACN+H"	83.060376
"1537307"	204.060708	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+IsoProp+Na+H"	84.054008
"1004481"	102.037176	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+2ACN+2H"	84.067652
"1601897"	204.975328	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+K+HCOOH"	84.968628
"1427197"	235.006838	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+H+CF3COOH"	115.000138
"1160037"	122.550451	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+3ACN+2H"	125.094202
"1711045"	252.033385	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+NH4+CF3COOH"	132.026685
"1648884"	256.98878	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+Na+CF3COOH"	136.98208
"1585262"	272.96272	"C01871"	"14-Dithiane"	"C4H8S2"	"120.0067"	"M+K+CF3COOH"	152.95602
"809067"	219.9385	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M"	0
"989824"	200.92011	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-H2O-H"	-19.01839
"73035"	145.618390666667	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M-3H"	-3.021828
"518473"	218.931224	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M-3H"	-3.021828
"895561"	72.3055573333333	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-3H"	-3.021828
"14441"	218.931224	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M-2H"	-2.014552
"454007"	328.900474	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M-2H"	-2.014552
"829618"	108.961974	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-2H"	-2.014552
"91072"	438.869724	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M-H"	-1.007276
"531361"	658.808224	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M-H"	-1.007276
"903693"	218.931224	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-H"	-1.007276
"52600"	455.896271	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M-2H+NH4"	16.019271
"488636"	675.834771	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M-2H+NH4"	16.019271
"871057"	235.957771	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-2H+NH4"	16.019271
"38958"	460.851666	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M-2H+Na"	20.974666
"480705"	680.790166	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M-2H+Na"	20.974666
"856320"	240.913166	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-2H+Na"	20.974666
"1624760"	240.913166	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Na-2H"	20.974666
"105662"	236.919563	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M-H+Cl"	33.962126
"549528"	346.888813	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M-H+Cl"	33.962126
"942025"	126.950313	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-H+Cl"	33.962126
"282421"	474.846402	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+Cl"	34.969402
"675327"	694.784902	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+Cl"	34.969402
"1287734"	254.907902	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Cl"	34.969402
"29927"	476.825606	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M-2H+K"	36.948606
"470697"	696.764106	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M-2H+K"	36.948606
"847812"	256.887106	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-2H+K"	36.948606
"1571235"	256.887106	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+K-2H"	36.948606
"957788"	264.936694	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-H+HCOOH"	44.998194
"376911"	484.875201	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+HCOOH-H"	44.998201
"360616"	498.890851	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+Hac-H"	59.013851
"1507265"	278.952351	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Hac-H"	59.013851
"973591"	286.918651	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-H+NaCOOH"	66.980151
"117510"	254.907902	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+2Cl"	69.938804
"557069"	364.877152	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+2Cl"	69.938804
"1030243"	144.938652	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2Cl"	69.938804
"1248728"	298.857385	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Br"	78.918885
"1315556"	300.913372	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Cl+HCOOH"	80.974872
"1330502"	322.895329	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Cl+NaCOOH"	102.956829
"922654"	332.924086	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M-H+CF3COOH"	112.985586
"1294259"	368.900764	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Cl+CF3COOH"	148.962264
"1374608"	184.925824	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H-2H2O"	-35.012676
"1392834"	202.9358	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H-H2O"	-17.0027
"294342"	440.884276	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+H"	1.007276
"687860"	660.822776	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+H"	1.007276
"1361292"	220.945776	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H"	1.007276
"131265"	220.945776	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+2H"	2.014552
"573744"	330.915026	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+2H"	2.014552
"1045825"	110.976526	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2H"	2.014552
"212996"	147.632942666667	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+3H"	3.021828
"656566"	220.945776	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+3H"	3.021828
"1169589"	74.3201093333333	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+3H"	3.021828
"430673"	457.910823	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+NH4"	18.033823
"788387"	677.849323	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+NH4"	18.033823
"1687998"	237.972323	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+NH4"	18.033823
"334090"	229.4590495	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+H+NH4"	19.041099
"726512"	339.4282995	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+H+NH4"	19.041099
"1477413"	119.4897995	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H+NH4"	19.041099
"400107"	462.866218	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+Na"	22.989218
"756730"	682.804718	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+Na"	22.989218
"1607014"	242.927718	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Na"	22.989218
"318145"	231.936747	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+H+Na"	23.996494
"709473"	341.905997	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+H+Na"	23.996494
"1462930"	121.967497	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H+Na"	23.996494
"1055445"	81.6474233333333	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2H+Na"	25.00377
"1260403"	252.971986	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+CH3OH+H"	33.033486
"377232"	478.840158	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+K"	38.963158
"742164"	698.778658	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+K"	38.963158
"1546401"	258.901658	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+K"	38.963158
"302119"	239.923717	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+H+K"	39.970434
"695999"	349.892967	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+H+K"	39.970434
"1448728"	129.954467	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H+K"	39.970434
"236312"	481.910826	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+ACN+H"	42.033826
"1211861"	261.972326	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+ACN+H"	42.033826
"1197565"	131.489801	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+ACN+2H"	43.041102
"192259"	484.84816	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+2Na-H"	44.97116
"632913"	704.78666	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+2Na-H"	44.97116
"1133138"	264.90966	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2Na-H"	44.97116
"174970"	242.927718	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+2Na"	45.978436
"615619"	352.896968	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+2Na"	45.978436
"1126066"	132.958468	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2Na"	45.978436
"1401211"	88.9747373333333	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H+2Na"	46.985712
"1436243"	266.951246	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H+HCOOH"	47.012746
"227033"	247.96074	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+3H2O+2H"	56.04448
"1512178"	281.00329	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+IsoProp+H"	61.06479
"410041"	250.914688	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+Na+K"	61.952376
"776870"	360.883938	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+Na+K"	61.952376
"1665785"	140.945438	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Na+K"	61.952376
"251622"	503.892768	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+ACN+Na"	64.015768
"1227322"	283.954268	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+ACN+Na"	64.015768
"1715116"	283.977793	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+NH4+HCOOH"	64.039293
"1179254"	96.3020513333333	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+3Na"	68.967654
"1650120"	288.933188	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Na+HCOOH"	68.994688
"162335"	516.79604	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+2K-H"	76.91904
"608463"	736.73454	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+2K-H"	76.91904
"1098206"	296.85754	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2K-H"	76.91904
"156479"	258.901658	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"2M+2K"	77.926316
"592635"	368.870908	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"3M+2K"	77.926316
"1081525"	148.932408	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2K"	77.926316
"1112547"	298.872092	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2K+H"	78.933592
"1350030"	298.959707	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+DMSO+H"	79.021207
"1020380"	302.998876	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2ACN+H"	83.060376
"1538144"	303.992508	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+IsoProp+Na+H"	84.054008
"1004834"	152.003076	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+2ACN+2H"	84.067652
"1599821"	304.907128	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+K+HCOOH"	84.968628
"1427306"	334.938638	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+H+CF3COOH"	115.000138
"1160875"	172.516351	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+3ACN+2H"	125.094202
"1711518"	351.965185	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+NH4+CF3COOH"	132.026685
"1644254"	356.92058	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+Na+CF3COOH"	136.98208
"1585373"	372.89452	"C01874"	"2-Iodophenol"	"C6H5IO"	"219.9385"	"M+K+CF3COOH"	152.95602
"809177"	170.1671	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M"	0
"983809"	151.14871	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-H2O-H"	-19.01839
"67678"	112.437457333333	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M-3H"	-3.021828
"511613"	169.159824	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M-3H"	-3.021828
"895087"	55.7150906666667	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-3H"	-3.021828
"14551"	169.159824	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M-2H"	-2.014552
"455330"	254.243374	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M-2H"	-2.014552
"829727"	84.076274	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-2H"	-2.014552
"91907"	339.326924	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M-H"	-1.007276
"531468"	509.494024	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M-H"	-1.007276
"897607"	169.159824	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-H"	-1.007276
"49430"	356.353471	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M-2H+NH4"	16.019271
"487325"	526.520571	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M-2H+NH4"	16.019271
"868981"	186.186371	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-2H+NH4"	16.019271
"39068"	361.308866	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M-2H+Na"	20.974666
"479722"	531.475966	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M-2H+Na"	20.974666
"856430"	191.141766	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-2H+Na"	20.974666
"1622683"	191.141766	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Na-2H"	20.974666
"99212"	187.148163	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M-H+Cl"	33.962126
"548742"	272.231713	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M-H+Cl"	33.962126
"941038"	102.064613	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-H+Cl"	33.962126
"282694"	375.303602	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+Cl"	34.969402
"675559"	545.470702	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+Cl"	34.969402
"1288276"	205.136502	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Cl"	34.969402
"31287"	377.282806	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M-2H+K"	36.948606
"471124"	547.449906	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M-2H+K"	36.948606
"848317"	207.115706	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-2H+K"	36.948606
"1570995"	207.115706	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+K-2H"	36.948606
"957899"	215.165294	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-H+HCOOH"	44.998194
"377059"	385.332401	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+HCOOH-H"	44.998201
"359874"	399.348051	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+Hac-H"	59.013851
"1507007"	229.180951	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Hac-H"	59.013851
"973694"	237.147251	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-H+NaCOOH"	66.980151
"116526"	205.136502	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+2Cl"	69.938804
"552806"	290.220052	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+2Cl"	69.938804
"1025979"	120.052952	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2Cl"	69.938804
"1248838"	249.085985	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Br"	78.918885
"1310196"	251.141972	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Cl+HCOOH"	80.974872
"1331705"	273.123929	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Cl+NaCOOH"	102.956829
"923858"	283.152686	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M-H+CF3COOH"	112.985586
"1293276"	319.129364	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Cl+CF3COOH"	148.962264
"1370342"	135.154424	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H-2H2O"	-35.012676
"1384559"	153.1644	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H-H2O"	-17.0027
"288620"	341.341476	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+H"	1.007276
"682135"	511.508576	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+H"	1.007276
"1357390"	171.174376	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H"	1.007276
"129188"	171.174376	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+2H"	2.014552
"567657"	256.257926	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+2H"	2.014552
"1045571"	86.090826	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2H"	2.014552
"210919"	114.452009333333	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+3H"	3.021828
"653760"	171.174376	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+3H"	3.021828
"1166419"	57.7296426666667	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+3H"	3.021828
"429689"	358.368023	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+NH4"	18.033823
"788131"	528.535123	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+NH4"	18.033823
"1685921"	188.200923	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+NH4"	18.033823
"334563"	179.6876495	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+H+NH4"	19.041099
"727715"	264.7711995	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+H+NH4"	19.041099
"1479347"	94.6040995	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H+NH4"	19.041099
"394748"	363.323418	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+Na"	22.989218
"760120"	533.490518	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+Na"	22.989218
"1604938"	193.156318	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Na"	22.989218
"318256"	182.165347	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+H+Na"	23.996494
"710676"	267.248897	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+H+Na"	23.996494
"1463770"	97.081797	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H+Na"	23.996494
"1054101"	65.0569566666667	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2H+Na"	25.00377
"1261606"	203.200586	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+CH3OH+H"	33.033486
"379088"	379.297358	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+K"	38.963158
"740451"	549.464458	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+K"	38.963158
"1544325"	209.130258	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+K"	38.963158
"302595"	190.152317	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+H+K"	39.970434
"693923"	275.235867	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+H+K"	39.970434
"1446286"	105.068767	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H+K"	39.970434
"236340"	382.368026	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+ACN+H"	42.033826
"1210879"	212.200926	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+ACN+H"	42.033826
"1195124"	106.604101	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+ACN+2H"	43.041102
"189573"	385.30536	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+2Na-H"	44.97116
"633023"	555.47246	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+2Na-H"	44.97116
"1134700"	215.13826	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2Na-H"	44.97116
"175074"	193.156318	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+2Na"	45.978436
"614756"	278.239868	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+2Na"	45.978436
"1121802"	108.072768	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2Na"	45.978436
"1401078"	72.3842706666667	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H+2Na"	46.985712
"1435260"	217.179846	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H+HCOOH"	47.012746
"224956"	198.18934	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+3H2O+2H"	56.04448
"1510100"	231.23189	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+IsoProp+H"	61.06479
"410515"	201.143288	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+Na+K"	61.952376
"776980"	286.226838	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+Na+K"	61.952376
"1665657"	116.059738	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Na+K"	61.952376
"251621"	404.349968	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+ACN+Na"	64.015768
"1226701"	234.182868	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+ACN+Na"	64.015768
"1714861"	234.206393	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+NH4+HCOOH"	64.039293
"1181309"	79.7115846666667	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+3Na"	68.967654
"1650348"	239.161788	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Na+HCOOH"	68.994688
"160258"	417.25324	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+2K-H"	76.91904
"607480"	587.42034	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+2K-H"	76.91904
"1096371"	247.08614	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2K-H"	76.91904
"155371"	209.130258	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"2M+2K"	77.926316
"593838"	294.213808	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"3M+2K"	77.926316
"1079446"	124.046708	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2K"	77.926316
"1112657"	249.100692	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2K+H"	78.933592
"1350018"	249.188307	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+DMSO+H"	79.021207
"1020732"	253.227476	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2ACN+H"	83.060376
"1538497"	254.221108	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+IsoProp+Na+H"	84.054008
"1005308"	127.117376	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+2ACN+2H"	84.067652
"1599931"	255.135728	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+K+HCOOH"	84.968628
"1427416"	285.167238	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+H+CF3COOH"	115.000138
"1161349"	147.630651	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+3ACN+2H"	125.094202
"1710899"	302.193785	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+NH4+CF3COOH"	132.026685
"1644364"	307.14918	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+Na+CF3COOH"	136.98208
"1585483"	323.12312	"C01875"	"2-Undecanone;Undecan-2-one;Methyl nonyl ketone;2-Hendecanone"	"C11H22O"	"170.1671"	"M+K+CF3COOH"	152.95602
"813661"	274.2297	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M"	0
"982826"	255.21131	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-H2O-H"	-19.01839
"66694"	181.812524	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M-3H"	-3.021828
"511723"	273.222424	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M-3H"	-3.021828
"892806"	90.402624	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-3H"	-3.021828
"11381"	273.222424	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H"	-2.014552
"453859"	410.337274	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H"	-2.014552
"829473"	136.107574	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H"	-2.014552
"87642"	547.452124	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M-H"	-1.007276
"526110"	821.681824	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M-H"	-1.007276
"901728"	273.222424	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-H"	-1.007276
"49541"	564.478671	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H+NH4"	16.019271
"491288"	838.708371	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H+NH4"	16.019271
"870185"	290.248971	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H+NH4"	16.019271
"39178"	569.434066	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H+Na"	20.974666
"478739"	843.663766	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H+Na"	20.974666
"854353"	295.204366	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H+Na"	20.974666
"1623886"	295.204366	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na-2H"	20.974666
"99322"	291.210763	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M-H+Cl"	33.962126
"549583"	428.325613	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M-H+Cl"	33.962126
"938961"	154.095913	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+Cl"	33.962126
"282523"	583.428802	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Cl"	34.969402
"675531"	857.658502	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+Cl"	34.969402
"1287944"	309.199102	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl"	34.969402
"30254"	585.408006	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H+K"	36.948606
"470788"	859.637706	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H+K"	36.948606
"848386"	311.178306	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H+K"	36.948606
"1571186"	311.178306	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+K-2H"	36.948606
"957727"	319.227894	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+HCOOH"	44.998194
"374764"	593.457601	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+HCOOH-H"	44.998201
"357917"	607.473251	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Hac-H"	59.013851
"1500188"	333.243551	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Hac-H"	59.013851
"966634"	341.209851	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+NaCOOH"	66.980151
"112627"	309.199102	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2Cl"	69.938804
"551823"	446.313952	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2Cl"	69.938804
"1023173"	172.084252	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2Cl"	69.938804
"1246763"	353.148585	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Br"	78.918885
"1310306"	355.204572	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl+HCOOH"	80.974872
"1332545"	377.186529	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl+NaCOOH"	102.956829
"924697"	387.215286	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+CF3COOH"	112.985586
"1297759"	423.191964	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl+CF3COOH"	148.962264
"1372640"	239.217024	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H-2H2O"	-35.012676
"1384669"	257.227	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H-H2O"	-17.0027
"287636"	549.466676	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H"	1.007276
"685525"	823.696376	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H"	1.007276
"1358593"	275.236976	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H"	1.007276
"132579"	275.236976	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2H"	2.014552
"568131"	412.351826	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2H"	2.014552
"1043129"	138.122126	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2H"	2.014552
"211029"	183.827076	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+3H"	3.021828
"653506"	275.236976	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+3H"	3.021828
"1166529"	92.417176	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+3H"	3.021828
"429799"	566.493223	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+NH4"	18.033823
"788241"	840.722923	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+NH4"	18.033823
"1684572"	292.263523	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+NH4"	18.033823
"334310"	283.7502495	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H+NH4"	19.041099
"728919"	420.8650995	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H+NH4"	19.041099
"1479456"	146.6353995	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+NH4"	19.041099
"396316"	571.448618	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Na"	22.989218
"760230"	845.678318	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+Na"	22.989218
"1607234"	297.218918	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na"	22.989218
"319459"	286.227947	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H+Na"	23.996494
"710786"	423.342797	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H+Na"	23.996494
"1468983"	149.113097	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+Na"	23.996494
"1055669"	99.74449	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2H+Na"	25.00377
"1262812"	307.263186	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+CH3OH+H"	33.033486
"379202"	587.422558	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+K"	38.963158
"742388"	861.652258	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+K"	38.963158
"1542250"	313.192858	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+K"	38.963158
"301613"	294.214917	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H+K"	39.970434
"694397"	431.329767	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H+K"	39.970434
"1448583"	157.100067	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+K"	39.970434
"236089"	590.493226	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+ACN+H"	42.033826
"1212082"	316.263526	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+ACN+H"	42.033826
"1195234"	158.635401	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+ACN+2H"	43.041102
"190290"	593.43056	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2Na-H"	44.97116
"633133"	867.66026	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2Na-H"	44.97116
"1134081"	319.20086	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2Na-H"	44.97116
"175551"	297.218918	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2Na"	45.978436
"615107"	434.333768	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2Na"	45.978436
"1118633"	160.104068	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2Na"	45.978436
"1398669"	107.071804	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+2Na"	46.985712
"1432090"	321.242446	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+HCOOH"	47.012746
"222879"	302.25194	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+3H2O+2H"	56.04448
"1508525"	335.29449	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+IsoProp+H"	61.06479
"408578"	305.205888	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Na+K"	61.952376
"771622"	442.320738	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+Na+K"	61.952376
"1665612"	168.091038	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na+K"	61.952376
"251433"	612.475168	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+ACN+Na"	64.015768
"1225718"	338.245468	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+ACN+Na"	64.015768
"1714972"	338.268993	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+NH4+HCOOH"	64.039293
"1181420"	114.399118	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+3Na"	68.967654
"1650135"	343.224388	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na+HCOOH"	68.994688
"161826"	625.37844	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2K-H"	76.91904
"607590"	899.60814	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2K-H"	76.91904
"1096480"	351.14874	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2K-H"	76.91904
"155360"	313.192858	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2K"	77.926316
"592855"	450.307708	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2K"	77.926316
"1079556"	176.078008	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2K"	77.926316
"1113860"	353.163292	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2K+H"	78.933592
"1350246"	353.250907	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+DMSO+H"	79.021207
"1019869"	357.290076	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2ACN+H"	83.060376
"1538000"	358.283708	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+IsoProp+Na+H"	84.054008
"1003349"	179.148676	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+2ACN+2H"	84.067652
"1600041"	359.198328	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+K+HCOOH"	84.968628
"1428619"	389.229838	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+CF3COOH"	115.000138
"1159272"	199.661951	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+3ACN+2H"	125.094202
"1712102"	406.256385	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+NH4+CF3COOH"	132.026685
"1646661"	411.21178	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na+CF3COOH"	136.98208
"1585593"	427.18572	"C01876"	"3-Oxosteroid"	"C19H30O"	"274.2297"	"M+K+CF3COOH"	152.95602
"812677"	129.0426	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M"	0
"987311"	110.02421	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-H2O-H"	-19.01839
"67899"	85.021124	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M-3H"	-3.021828
"515114"	128.035324	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M-3H"	-3.021828
"890729"	42.006924	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-3H"	-3.021828
"11491"	128.035324	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M-2H"	-2.014552
"453605"	192.556624	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M-2H"	-2.014552
"828854"	63.514024	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-2H"	-2.014552
"87753"	257.077924	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M-H"	-1.007276
"526220"	386.120524	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M-H"	-1.007276
"904023"	128.035324	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-H"	-1.007276
"52931"	274.104471	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M-2H+NH4"	16.019271
"495771"	403.147071	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M-2H+NH4"	16.019271
"867377"	145.061871	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-2H+NH4"	16.019271
"36007"	279.059866	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M-2H+Na"	20.974666
"478849"	408.102466	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M-2H+Na"	20.974666
"854463"	150.017266	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-2H+Na"	20.974666
"1625089"	150.017266	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Na-2H"	20.974666
"105994"	146.023663	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M-H+Cl"	33.962126
"549698"	210.544963	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M-H+Cl"	33.962126
"941749"	81.502363	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-H+Cl"	33.962126
"282664"	293.054602	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+Cl"	34.969402
"675287"	422.097202	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+Cl"	34.969402
"1288054"	164.012002	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Cl"	34.969402
"30367"	295.033806	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M-2H+K"	36.948606
"470046"	424.076406	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M-2H+K"	36.948606
"847847"	165.991206	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-2H+K"	36.948606
"1570732"	165.991206	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+K-2H"	36.948606
"958120"	174.040794	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-H+HCOOH"	44.998194
"376334"	303.083401	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+HCOOH-H"	44.998201
"359489"	317.099051	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+Hac-H"	59.013851
"1507472"	188.056451	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Hac-H"	59.013851
"973917"	196.022751	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-H+NaCOOH"	66.980151
"116747"	164.012002	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+2Cl"	69.938804
"557400"	228.533302	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+2Cl"	69.938804
"1027292"	99.490702	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2Cl"	69.938804
"1249060"	207.961485	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Br"	78.918885
"1310416"	210.017472	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Cl+HCOOH"	80.974872
"1334118"	231.999429	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Cl+NaCOOH"	102.956829
"924808"	242.028186	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M-H+CF3COOH"	112.985586
"1301150"	278.004864	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Cl+CF3COOH"	148.962264
"1377127"	94.029924	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H-2H2O"	-35.012676
"1391342"	112.0399	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H-H2O"	-17.0027
"292122"	259.092476	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+H"	1.007276
"686729"	388.135076	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+H"	1.007276
"1363079"	130.049876	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H"	1.007276
"134875"	130.049876	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+2H"	2.014552
"574436"	194.571176	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+2H"	2.014552
"1043239"	65.528576	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2H"	2.014552
"213326"	87.035676	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+3H"	3.021828
"647419"	130.049876	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+3H"	3.021828
"1169918"	44.021476	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+3H"	3.021828
"429908"	276.119023	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+NH4"	18.033823
"789810"	405.161623	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+NH4"	18.033823
"1689422"	147.076423	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+NH4"	18.033823
"339888"	138.5631495	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+H+NH4"	19.041099
"731216"	203.0844495	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+H+NH4"	19.041099
"1481389"	74.0418495	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H+NH4"	19.041099
"397156"	281.074418	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+Na"	22.989218
"760340"	410.117018	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+Na"	22.989218
"1608437"	152.031818	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Na"	22.989218
"320662"	141.040847	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+H+Na"	23.996494
"711989"	205.562147	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+H+Na"	23.996494
"1470187"	76.519547	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H+Na"	23.996494
"1063433"	51.34879	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2H+Na"	25.00377
"1264020"	162.076086	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+CH3OH+H"	33.033486
"388062"	297.048358	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+K"	38.963158
"746871"	426.090958	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+K"	38.963158
"1545641"	168.005758	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+K"	38.963158
"305003"	149.027817	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+H+K"	39.970434
"696331"	213.549117	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+H+K"	39.970434
"1447966"	84.506517	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H+K"	39.970434
"238754"	300.119026	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+ACN+H"	42.033826
"1214745"	171.076426	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+ACN+H"	42.033826
"1196074"	86.041851	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+ACN+2H"	43.041102
"189673"	303.05636	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+2Na-H"	44.97116
"634336"	432.09896	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+2Na-H"	44.97116
"1133831"	174.01376	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2Na-H"	44.97116
"177123"	152.031818	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+2Na"	45.978436
"615588"	216.553118	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+2Na"	45.978436
"1125303"	87.510518	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2Na"	45.978436
"1400205"	58.676104	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H+2Na"	46.985712
"1437669"	176.055346	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H+HCOOH"	47.012746
"227364"	157.06484	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+3H2O+2H"	56.04448
"1512145"	190.10739	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+IsoProp+H"	61.06479
"412923"	160.018788	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+Na+K"	61.952376
"773919"	224.540088	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+Na+K"	61.952376
"1665999"	95.497488	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Na+K"	61.952376
"251907"	322.100968	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+ACN+Na"	64.015768
"1226562"	193.058368	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+ACN+Na"	64.015768
"1717268"	193.081893	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+NH4+HCOOH"	64.039293
"1182624"	66.003418	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+3Na"	68.967654
"1654706"	198.037288	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Na+HCOOH"	68.994688
"159750"	335.00424	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+2K-H"	76.91904
"607700"	464.04684	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+2K-H"	76.91904
"1095497"	205.96164	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2K-H"	76.91904
"154498"	168.005758	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"2M+2K"	77.926316
"590779"	232.527058	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"3M+2K"	77.926316
"1077480"	103.484458	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2K"	77.926316
"1112513"	207.976192	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2K+H"	78.933592
"1348169"	208.063807	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+DMSO+H"	79.021207
"1016702"	212.102976	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2ACN+H"	83.060376
"1536650"	213.096608	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+IsoProp+Na+H"	84.054008
"1002365"	106.555126	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+2ACN+2H"	84.067652
"1594685"	214.011228	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+K+HCOOH"	84.968628
"1426906"	244.042738	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+H+CF3COOH"	115.000138
"1159381"	127.068401	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+3ACN+2H"	125.094202
"1708932"	261.069285	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+NH4+CF3COOH"	132.026685
"1644584"	266.02468	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+Na+CF3COOH"	136.98208
"1585703"	281.99862	"C01877"	"4-Oxoproline;4-Oxo-L-proline"	"C5H7NO3"	"129.0426"	"M+K+CF3COOH"	152.95602
"809507"	129.0426	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M"	0
"986321"	110.02421	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H2O-H"	-19.01839
"71289"	85.021124	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-3H"	-3.021828
"511943"	128.035324	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-3H"	-3.021828
"886466"	42.006924	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-3H"	-3.021828
"8321"	128.035324	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H"	-2.014552
"448976"	192.556624	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H"	-2.014552
"823497"	63.514024	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H"	-2.014552
"82396"	257.077924	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-H"	-1.007276
"523050"	386.120524	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-H"	-1.007276
"904130"	128.035324	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H"	-1.007276
"53039"	274.104471	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H+NH4"	16.019271
"493691"	403.147071	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H+NH4"	16.019271
"864801"	145.061871	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H+NH4"	16.019271
"36114"	279.059866	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H+Na"	20.974666
"473730"	408.102466	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H+Na"	20.974666
"857853"	150.017266	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H+Na"	20.974666
"1620825"	150.017266	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na-2H"	20.974666
"96259"	146.023663	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-H+Cl"	33.962126
"549322"	210.544963	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-H+Cl"	33.962126
"938086"	81.502363	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+Cl"	33.962126
"282367"	293.054602	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Cl"	34.969402
"675276"	422.097202	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+Cl"	34.969402
"1288286"	164.012002	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl"	34.969402
"31317"	295.033806	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H+K"	36.948606
"470149"	424.076406	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H+K"	36.948606
"845762"	165.991206	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H+K"	36.948606
"1570469"	165.991206	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K-2H"	36.948606
"957135"	174.040794	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+HCOOH"	44.998194
"374620"	303.083401	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+HCOOH-H"	44.998201
"358502"	317.099051	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Hac-H"	59.013851
"1506243"	188.056451	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Hac-H"	59.013851
"972813"	196.022751	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+NaCOOH"	66.980151
"113941"	164.012002	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2Cl"	69.938804
"556416"	228.533302	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2Cl"	69.938804
"1027401"	99.490702	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2Cl"	69.938804
"1246983"	207.961485	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Br"	78.918885
"1309433"	210.017472	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl+HCOOH"	80.974872
"1332399"	231.999429	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl+NaCOOH"	102.956829
"919083"	242.028186	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+CF3COOH"	112.985586
"1299073"	278.004864	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl+CF3COOH"	148.962264
"1378329"	94.029924	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H-2H2O"	-35.012676
"1395096"	112.0399	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H-H2O"	-17.0027
"293325"	259.092476	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H"	1.007276
"686110"	388.135076	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H"	1.007276
"1363917"	130.049876	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H"	1.007276
"134986"	130.049876	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2H"	2.014552
"573452"	194.571176	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2H"	2.014552
"1040065"	65.528576	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2H"	2.014552
"209060"	87.035676	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+3H"	3.021828
"646435"	130.049876	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+3H"	3.021828
"1173308"	44.021476	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+3H"	3.021828
"428923"	276.119023	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+NH4"	18.033823
"788826"	405.161623	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+NH4"	18.033823
"1687346"	147.076423	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+NH4"	18.033823
"336718"	138.5631495	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H+NH4"	19.041099
"731326"	203.0844495	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H+NH4"	19.041099
"1481136"	74.0418495	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+NH4"	19.041099
"397266"	281.074418	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Na"	22.989218
"760449"	410.117018	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+Na"	22.989218
"1607454"	152.031818	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na"	22.989218
"318584"	141.040847	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H+Na"	23.996494
"712100"	205.562147	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H+Na"	23.996494
"1470297"	76.519547	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+Na"	23.996494
"1062449"	51.34879	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2H+Na"	25.00377
"1267410"	162.076086	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+CH3OH+H"	33.033486
"385984"	297.048358	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+K"	38.963158
"748073"	426.090958	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+K"	38.963158
"1547937"	168.005758	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K"	38.963158
"305113"	149.027817	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H+K"	39.970434
"699721"	213.549117	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H+K"	39.970434
"1452449"	84.506517	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+K"	39.970434
"243238"	300.119026	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+ACN+H"	42.033826
"1217042"	171.076426	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+ACN+H"	42.033826
"1198007"	86.041851	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+ACN+2H"	43.041102
"190878"	303.05636	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2Na-H"	44.97116
"635540"	432.09896	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2Na-H"	44.97116
"1139046"	174.01376	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2Na-H"	44.97116
"179054"	152.031818	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2Na"	45.978436
"616063"	216.553118	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2Na"	45.978436
"1127600"	87.510518	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2Na"	45.978436
"1399095"	58.676104	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+2Na"	46.985712
"1436684"	176.055346	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+HCOOH"	47.012746
"227474"	157.06484	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+3H2O+2H"	56.04448
"1513348"	190.10739	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+IsoProp+H"	61.06479
"413033"	160.018788	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Na+K"	61.952376
"774029"	224.540088	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+Na+K"	61.952376
"1669268"	95.497488	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na+K"	61.952376
"253963"	322.100968	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+ACN+Na"	64.015768
"1228857"	193.058368	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+ACN+Na"	64.015768
"1718472"	193.081893	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+NH4+HCOOH"	64.039293
"1186014"	66.003418	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+3Na"	68.967654
"1653722"	198.037288	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na+HCOOH"	68.994688
"158036"	335.00424	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2K-H"	76.91904
"606716"	464.04684	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2K-H"	76.91904
"1096702"	205.96164	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2K-H"	76.91904
"155580"	168.005758	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2K"	77.926316
"593073"	232.527058	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2K"	77.926316
"1076493"	103.484458	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2K"	77.926316
"1108613"	207.976192	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2K+H"	78.933592
"1347184"	208.063807	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+DMSO+H"	79.021207
"1018633"	212.102976	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2ACN+H"	83.060376
"1535665"	213.096608	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+IsoProp+Na+H"	84.054008
"1002475"	106.555126	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2ACN+2H"	84.067652
"1596982"	214.011228	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K+HCOOH"	84.968628
"1425923"	244.042738	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+CF3COOH"	115.000138
"1158398"	127.068401	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+3ACN+2H"	125.094202
"1709042"	261.069285	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+NH4+CF3COOH"	132.026685
"1644694"	266.02468	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na+CF3COOH"	136.98208
"1585813"	281.99862	"C01879"	"Pidolic acid;5-Oxoproline;Pyroglutamic acid;5-Pyrrolidone-2-carboxylic acid;Pyroglutamate;5-Oxo-L-proline;L-Pyroglutamic acid;L-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K+CF3COOH"	152.95602
"812897"	114.0681	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M"	0
"986431"	95.04971	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-H2O-H"	-19.01839
"71399"	75.038124	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M-3H"	-3.021828
"512053"	113.060824	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M-3H"	-3.021828
"884389"	37.015424	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-3H"	-3.021828
"8431"	113.060824	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M-2H"	-2.014552
"449086"	170.094874	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M-2H"	-2.014552
"823606"	56.026774	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-2H"	-2.014552
"87608"	227.128924	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M-H"	-1.007276
"522431"	341.197024	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M-H"	-1.007276
"903147"	113.060824	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-H"	-1.007276
"53149"	244.155471	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M-2H+NH4"	16.019271
"493801"	358.223571	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M-2H+NH4"	16.019271
"865525"	130.087371	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-2H+NH4"	16.019271
"36223"	249.110866	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M-2H+Na"	20.974666
"476878"	363.178966	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M-2H+Na"	20.974666
"860149"	135.042766	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-2H+Na"	20.974666
"1623121"	135.042766	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Na-2H"	20.974666
"98556"	131.049163	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M-H+Cl"	33.962126
"549757"	188.083213	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M-H+Cl"	33.962126
"938196"	74.015113	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-H+Cl"	33.962126
"282757"	263.105602	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+Cl"	34.969402
"675306"	377.173702	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+Cl"	34.969402
"1288153"	149.037502	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Cl"	34.969402
"31117"	265.084806	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M-2H+K"	36.948606
"471217"	379.152906	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M-2H+K"	36.948606
"845509"	151.016706	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-2H+K"	36.948606
"1570781"	151.016706	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+K-2H"	36.948606
"957611"	159.066294	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-H+HCOOH"	44.998194
"376967"	273.134401	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+HCOOH-H"	44.998201
"361280"	287.150051	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+Hac-H"	59.013851
"1504896"	173.081951	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Hac-H"	59.013851
"971706"	181.048251	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-H+NaCOOH"	66.980151
"118061"	149.037502	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+2Cl"	69.938804
"555435"	206.071552	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+2Cl"	69.938804
"1028606"	92.003452	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2Cl"	69.938804
"1249279"	192.986985	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Br"	78.918885
"1309543"	195.042972	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Cl+HCOOH"	80.974872
"1334336"	217.024929	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Cl+NaCOOH"	102.956829
"924660"	227.053686	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M-H+CF3COOH"	112.985586
"1296995"	263.030364	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Cl+CF3COOH"	148.962264
"1381356"	79.055424	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H-2H2O"	-35.012676
"1395571"	97.0654	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H-H2O"	-17.0027
"294163"	229.143476	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+H"	1.007276
"682574"	343.211576	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+H"	1.007276
"1363299"	115.075376	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H"	1.007276
"139108"	115.075376	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+2H"	2.014552
"574657"	172.109426	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+2H"	2.014552
"1045642"	58.041326	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2H"	2.014552
"208077"	77.052676	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+3H"	3.021828
"650918"	115.075376	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+3H"	3.021828
"1173419"	39.029976	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+3H"	3.021828
"431222"	246.170023	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+NH4"	18.033823
"790030"	360.238123	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+NH4"	18.033823
"1685269"	132.101923	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+NH4"	18.033823
"335735"	123.5886495	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+H+NH4"	19.041099
"732529"	180.6226995	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+H+NH4"	19.041099
"1482703"	66.5545995	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H+NH4"	19.041099
"397376"	251.125418	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+Na"	22.989218
"760559"	365.193518	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+Na"	22.989218
"1605011"	137.057318	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Na"	22.989218
"318694"	126.066347	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+H+Na"	23.996494
"709657"	183.100397	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+H+Na"	23.996494
"1466032"	69.032297	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H+Na"	23.996494
"1058184"	46.35729	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2H+Na"	25.00377
"1269707"	147.101586	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+CH3OH+H"	33.033486
"389374"	267.099358	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+K"	38.963158
"745996"	381.167458	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+K"	38.963158
"1546954"	153.031258	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+K"	38.963158
"305223"	134.053317	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+H+K"	39.970434
"698738"	191.087367	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+H+K"	39.970434
"1452559"	77.019267	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H+K"	39.970434
"240068"	270.170026	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+ACN+H"	42.033826
"1212048"	156.101926	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+ACN+H"	42.033826
"1195929"	78.554601	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+ACN+2H"	43.041102
"191354"	273.10736	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+2Na-H"	44.97116
"637837"	387.17546	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+2Na-H"	44.97116
"1136970"	159.03926	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2Na-H"	44.97116
"176612"	137.057318	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+2Na"	45.978436
"614714"	194.091368	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+2Na"	45.978436
"1127711"	80.023268	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2Na"	45.978436
"1400056"	53.684604	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H+2Na"	46.985712
"1433514"	161.080846	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H+HCOOH"	47.012746
"228677"	142.09034	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+3H2O+2H"	56.04448
"1513458"	175.13289	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+IsoProp+H"	61.06479
"413143"	145.044288	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+Na+K"	61.952376
"778512"	202.078338	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+Na+K"	61.952376
"1670472"	88.010238	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Na+K"	61.952376
"255897"	292.151968	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+ACN+Na"	64.015768
"1231518"	178.083868	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+ACN+Na"	64.015768
"1722957"	178.107393	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+NH4+HCOOH"	64.039293
"1185031"	61.011918	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+3Na"	68.967654
"1654560"	183.062788	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Na+HCOOH"	68.994688
"162884"	305.05524	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+2K-H"	76.91904
"605733"	419.12334	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+2K-H"	76.91904
"1094621"	190.98714	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2K-H"	76.91904
"154962"	153.031258	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"2M+2K"	77.926316
"595373"	210.065308	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"3M+2K"	77.926316
"1077696"	95.997208	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2K"	77.926316
"1104348"	193.001692	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2K+H"	78.933592
"1340734"	193.089307	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+DMSO+H"	79.021207
"1015827"	197.128476	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2ACN+H"	83.060376
"1533953"	198.122108	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+IsoProp+Na+H"	84.054008
"1001494"	99.067876	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+2ACN+2H"	84.067652
"1600373"	199.036728	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+K+HCOOH"	84.968628
"1427125"	229.068238	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+H+CF3COOH"	115.000138
"1161789"	119.581151	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+3ACN+2H"	125.094202
"1710245"	246.094785	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+NH4+CF3COOH"	132.026685
"1644804"	251.05018	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+Na+CF3COOH"	136.98208
"1585923"	267.02412	"C01880"	"epsilon-Caprolactone;6-Hexanolide;1-Oxa-2-oxocycloheptane;2-Oxepanone;Hexano-6-lactone"	"C6H10O2"	"114.0681"	"M+K+CF3COOH"	152.95602
"813007"	274.2297	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M"	0
"983261"	255.21131	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-H2O-H"	-19.01839
"72603"	181.812524	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M-3H"	-3.021828
"514350"	273.222424	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M-3H"	-3.021828
"887778"	90.402624	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-3H"	-3.021828
"7447"	273.222424	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H"	-2.014552
"442636"	410.337274	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H"	-2.014552
"820436"	136.107574	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H"	-2.014552
"88082"	547.452124	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M-H"	-1.007276
"526550"	821.681824	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M-H"	-1.007276
"901070"	273.222424	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-H"	-1.007276
"49978"	564.478671	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H+NH4"	16.019271
"493911"	838.708371	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H+NH4"	16.019271
"865272"	290.248971	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H+NH4"	16.019271
"35240"	569.434066	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H+Na"	20.974666
"476988"	843.663766	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H+Na"	20.974666
"854790"	295.204366	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H+Na"	20.974666
"1624324"	295.204366	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na-2H"	20.974666
"98666"	291.210763	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M-H+Cl"	33.962126
"545887"	428.325613	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M-H+Cl"	33.962126
"942608"	154.095913	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+Cl"	33.962126
"282795"	583.428802	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Cl"	34.969402
"675597"	857.658502	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+Cl"	34.969402
"1288463"	309.199102	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl"	34.969402
"31330"	585.408006	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M-2H+K"	36.948606
"471385"	859.637706	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M-2H+K"	36.948606
"847077"	311.178306	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-2H+K"	36.948606
"1570977"	311.178306	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+K-2H"	36.948606
"958090"	319.227894	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+HCOOH"	44.998194
"376983"	593.457601	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+HCOOH-H"	44.998201
"360427"	607.473251	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Hac-H"	59.013851
"1506464"	333.243551	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Hac-H"	59.013851
"971816"	341.209851	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+NaCOOH"	66.980151
"117079"	309.199102	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2Cl"	69.938804
"555546"	446.313952	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2Cl"	69.938804
"1030902"	172.084252	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2Cl"	69.938804
"1248295"	353.148585	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Br"	78.918885
"1311840"	355.204572	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl+HCOOH"	80.974872
"1332986"	377.186529	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl+NaCOOH"	102.956829
"922220"	387.215286	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M-H+CF3COOH"	112.985586
"1300022"	423.191964	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Cl+CF3COOH"	148.962264
"1377455"	239.217024	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H-2H2O"	-35.012676
"1395318"	257.227	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H-H2O"	-17.0027
"290265"	549.466676	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H"	1.007276
"681591"	823.696376	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H"	1.007276
"1360858"	275.236976	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H"	1.007276
"139582"	275.236976	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2H"	2.014552
"579142"	412.351826	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2H"	2.014552
"1048669"	138.122126	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2H"	2.014552
"205878"	183.827076	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+3H"	3.021828
"649935"	275.236976	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+3H"	3.021828
"1173529"	92.417176	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+3H"	3.021828
"433519"	566.493223	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+NH4"	18.033823
"792327"	840.722923	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+NH4"	18.033823
"1685379"	292.263523	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+NH4"	18.033823
"335845"	283.7502495	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H+NH4"	19.041099
"730452"	420.8650995	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H+NH4"	19.041099
"1483180"	146.6353995	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+NH4"	19.041099
"395664"	571.448618	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Na"	22.989218
"760669"	845.678318	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+Na"	22.989218
"1605729"	297.218918	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na"	22.989218
"317712"	286.227947	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H+Na"	23.996494
"711226"	423.342797	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H+Na"	23.996494
"1467235"	149.113097	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+Na"	23.996494
"1062669"	99.74449	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2H+Na"	25.00377
"1267630"	307.263186	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+CH3OH+H"	33.033486
"384018"	587.422558	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+K"	38.963158
"745013"	861.652258	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+K"	38.963158
"1545971"	313.192858	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+K"	38.963158
"302417"	294.214917	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+H+K"	39.970434
"695568"	431.329767	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+H+K"	39.970434
"1447202"	157.100067	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+K"	39.970434
"240179"	590.493226	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+ACN+H"	42.033826
"1211426"	316.263526	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+ACN+H"	42.033826
"1198225"	158.635401	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+ACN+2H"	43.041102
"189272"	593.43056	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2Na-H"	44.97116
"629072"	867.66026	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2Na-H"	44.97116
"1134162"	319.20086	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2Na-H"	44.97116
"174901"	297.218918	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2Na"	45.978436
"614461"	434.333768	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2Na"	45.978436
"1124541"	160.104068	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2Na"	45.978436
"1400047"	107.071804	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+2Na"	46.985712
"1433988"	321.242446	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+HCOOH"	47.012746
"226600"	302.25194	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+3H2O+2H"	56.04448
"1513568"	335.29449	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+IsoProp+H"	61.06479
"415440"	305.205888	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+Na+K"	61.952376
"777529"	442.320738	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+Na+K"	61.952376
"1670582"	168.091038	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na+K"	61.952376
"257100"	612.475168	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+ACN+Na"	64.015768
"1229442"	338.245468	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+ACN+Na"	64.015768
"1721974"	338.268993	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+NH4+HCOOH"	64.039293
"1186234"	114.399118	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+3Na"	68.967654
"1657221"	343.224388	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na+HCOOH"	68.994688
"160808"	625.37844	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2K-H"	76.91904
"608030"	899.60814	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2K-H"	76.91904
"1094731"	351.14874	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2K-H"	76.91904
"152641"	313.192858	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"2M+2K"	77.926316
"593295"	450.307708	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"3M+2K"	77.926316
"1079993"	176.078008	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2K"	77.926316
"1104458"	353.163292	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2K+H"	78.933592
"1345217"	353.250907	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+DMSO+H"	79.021207
"1015937"	357.290076	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2ACN+H"	83.060376
"1535156"	358.283708	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+IsoProp+Na+H"	84.054008
"1003063"	179.148676	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+2ACN+2H"	84.067652
"1598296"	359.198328	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+K+HCOOH"	84.968628
"1429421"	389.229838	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+H+CF3COOH"	115.000138
"1162144"	199.661951	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+3ACN+2H"	125.094202
"1710355"	406.256385	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+NH4+CF3COOH"	132.026685
"1647101"	411.21178	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+Na+CF3COOH"	136.98208
"1586033"	427.18572	"C01881"	"7-Oxosteroid"	"C19H30O"	"274.2297"	"M+K+CF3COOH"	152.95602
"813117"	559.0717	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M"	0
"983371"	540.05331	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-H2O-H"	-19.01839
"76724"	371.707190666667	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M-3H"	-3.021828
"515191"	558.064424	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M-3H"	-3.021828
"890075"	185.349957333333	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-3H"	-3.021828
"8650"	558.064424	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H"	-2.014552
"443839"	837.600274	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H"	-2.014552
"823827"	278.528574	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H"	-2.014552
"87099"	1117.136124	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M-H"	-1.007276
"523379"	1676.207824	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M-H"	-1.007276
"901180"	558.064424	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-H"	-1.007276
"50087"	1134.162671	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H+NH4"	16.019271
"495115"	1693.234371	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H+NH4"	16.019271
"867448"	575.090971	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H+NH4"	16.019271
"32432"	1139.118066	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H+Na"	20.974666
"477098"	1698.189766	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H+Na"	20.974666
"855993"	580.046366	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H+Na"	20.974666
"1625527"	580.046366	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na-2H"	20.974666
"98776"	576.052763	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M-H+Cl"	33.962126
"546726"	855.588613	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M-H+Cl"	33.962126
"942693"	296.516913	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+Cl"	33.962126
"282812"	1153.112802	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Cl"	34.969402
"675238"	1712.184502	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+Cl"	34.969402
"1287882"	594.041102	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl"	34.969402
"31170"	1155.092006	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M-2H+K"	36.948606
"471101"	1714.163706	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M-2H+K"	36.948606
"848344"	596.020306	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-2H+K"	36.948606
"1570676"	596.020306	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+K-2H"	36.948606
"957588"	604.069894	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+HCOOH"	44.998194
"376961"	1163.141601	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+HCOOH-H"	44.998201
"358835"	1177.157251	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Hac-H"	59.013851
"1504386"	618.085551	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Hac-H"	59.013851
"969374"	626.051851	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+NaCOOH"	66.980151
"119372"	594.041102	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2Cl"	69.938804
"560026"	873.576952	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2Cl"	69.938804
"1031010"	314.505252	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2Cl"	69.938804
"1249495"	637.990585	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Br"	78.918885
"1309761"	640.046572	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl+HCOOH"	80.974872
"1330179"	662.028529	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl+NaCOOH"	102.956829
"917225"	672.057286	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M-H+CF3COOH"	112.985586
"1292840"	708.033964	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Cl+CF3COOH"	148.962264
"1376470"	524.059024	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H-2H2O"	-35.012676
"1388499"	542.069	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H-H2O"	-17.0027
"289279"	1119.150676	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H"	1.007276
"679513"	1678.222376	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H"	1.007276
"1354770"	560.078976	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H"	1.007276
"136045"	560.078976	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2H"	2.014552
"580225"	839.614826	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2H"	2.014552
"1048779"	280.543126	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2H"	2.014552
"205866"	373.721742666667	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+3H"	3.021828
"648223"	560.078976	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+3H"	3.021828
"1170359"	187.364509333333	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+3H"	3.021828
"430349"	1136.177223	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+NH4"	18.033823
"791344"	1695.248923	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+NH4"	18.033823
"1687675"	577.105523	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+NH4"	18.033823
"339235"	568.5922495	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H+NH4"	19.041099
"729470"	848.1280995	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H+NH4"	19.041099
"1483290"	289.0563995	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+NH4"	19.041099
"398690"	1141.132618	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Na"	22.989218
"761873"	1700.204318	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+Na"	22.989218
"1607785"	582.060918	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na"	22.989218
"323290"	571.069947	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H+Na"	23.996494
"713523"	850.605797	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H+Na"	23.996494
"1468438"	291.534097	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+Na"	23.996494
"1062779"	194.691823333333	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2H+Na"	25.00377
"1270899"	592.105186	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+CH3OH+H"	33.033486
"389595"	1157.106558	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+K"	38.963158
"743300"	1716.178258	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+K"	38.963158
"1546081"	598.034858	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+K"	38.963158
"302527"	579.056917	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+H+K"	39.970434
"695678"	858.592767	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+H+K"	39.970434
"1449497"	299.521067	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+K"	39.970434
"242476"	1160.177226	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+ACN+H"	42.033826
"1212632"	601.105526	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+ACN+H"	42.033826
"1196512"	301.056401	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+ACN+2H"	43.041102
"188771"	1163.11456	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2Na-H"	44.97116
"628980"	1722.18626	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2Na-H"	44.97116
"1133179"	604.04286	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2Na-H"	44.97116
"173589"	582.060918	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2Na"	45.978436
"613841"	861.596768	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2Na"	45.978436
"1124652"	302.525068	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2Na"	45.978436
"1400157"	202.019137333333	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+2Na"	46.985712
"1434826"	606.084446	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+HCOOH"	47.012746
"220511"	587.09394	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+3H2O+2H"	56.04448
"1511126"	620.13649	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+IsoProp+H"	61.06479
"413727"	590.047888	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+Na+K"	61.952376
"775450"	869.583738	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+Na+K"	61.952376
"1670692"	310.512038	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na+K"	61.952376
"256117"	1182.159168	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+ACN+Na"	64.015768
"1229552"	623.087468	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+ACN+Na"	64.015768
"1720990"	623.110993	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+NH4+HCOOH"	64.039293
"1184885"	209.346451333333	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+3Na"	68.967654
"1656965"	628.066388	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na+HCOOH"	68.994688
"158731"	1195.06244	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2K-H"	76.91904
"608140"	1754.13414	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2K-H"	76.91904
"1094841"	635.99074	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2K-H"	76.91904
"153845"	598.034858	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"2M+2K"	77.926316
"593405"	877.570708	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"3M+2K"	77.926316
"1077916"	318.499008	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2K"	77.926316
"1104568"	638.005292	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2K+H"	78.933592
"1343140"	638.092907	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+DMSO+H"	79.021207
"1016047"	642.132076	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2ACN+H"	83.060376
"1535266"	643.125708	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+IsoProp+Na+H"	84.054008
"1003538"	321.569676	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+2ACN+2H"	84.067652
"1600958"	644.040328	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+K+HCOOH"	84.968628
"1428438"	674.071838	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+H+CF3COOH"	115.000138
"1161646"	342.082951	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+3ACN+2H"	125.094202
"1710465"	691.098385	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+NH4+CF3COOH"	132.026685
"1647211"	696.05378	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+Na+CF3COOH"	136.98208
"1586143"	712.02772	"C01882"	"ADP-D-ribose"	"C15H23N5O14P2"	"559.0717"	"M+K+CF3COOH"	152.95602
"815418"	73.0528	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M"	0
"986766"	54.03441	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-H2O-H"	-19.01839
"75008"	47.6945906666667	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M-3H"	-3.021828
"512382"	72.045524	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M-3H"	-3.021828
"892372"	23.3436573333333	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-3H"	-3.021828
"8761"	72.045524	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M-2H"	-2.014552
"442856"	108.571924	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M-2H"	-2.014552
"820657"	35.519124	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-2H"	-2.014552
"80649"	145.098324	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M-H"	-1.007276
"518620"	218.151124	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M-H"	-1.007276
"895942"	72.045524	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-H"	-1.007276
"50200"	162.124871	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M-2H+NH4"	16.019271
"491944"	235.177671	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M-2H+NH4"	16.019271
"864433"	89.072071	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-2H+NH4"	16.019271
"31655"	167.080266	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M-2H+Na"	20.974666
"476117"	240.133066	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M-2H+Na"	20.974666
"849910"	94.027466	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-2H+Na"	20.974666
"1624547"	94.027466	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Na-2H"	20.974666
"101078"	90.033863	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M-H+Cl"	33.962126
"541730"	126.560263	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M-H+Cl"	33.962126
"942057"	53.507463	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-H+Cl"	33.962126
"274899"	181.075002	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+Cl"	34.969402
"672788"	254.127802	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+Cl"	34.969402
"1285192"	108.022202	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Cl"	34.969402
"30671"	183.054206	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M-2H+K"	36.948606
"470838"	256.107006	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M-2H+K"	36.948606
"844017"	110.001406	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-2H+K"	36.948606
"1569693"	110.001406	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+K-2H"	36.948606
"953200"	118.050994	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-H+HCOOH"	44.998194
"369959"	191.103801	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+HCOOH-H"	44.998201
"352018"	205.119451	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+Hac-H"	59.013851
"1503037"	132.066651	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Hac-H"	59.013851
"965113"	140.032951	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-H+NaCOOH"	66.980151
"115477"	108.022202	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+2Cl"	69.938804
"557952"	144.548602	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+2Cl"	69.938804
"1034779"	71.495802	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2Cl"	69.938804
"1255819"	151.971685	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Br"	78.918885
"1319357"	154.027672	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Cl+HCOOH"	80.974872
"1327372"	176.009629	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Cl+NaCOOH"	102.956829
"921711"	186.038386	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M-H+CF3COOH"	112.985586
"1295138"	222.015064	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Cl+CF3COOH"	148.962264
"1374396"	38.040124	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H-2H2O"	-35.012676
"1396998"	56.0501	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H-H2O"	-17.0027
"289394"	147.112876	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+H"	1.007276
"680727"	220.165676	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+H"	1.007276
"1358166"	74.060076	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H"	1.007276
"136523"	74.060076	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+2H"	2.014552
"573897"	110.586476	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+2H"	2.014552
"1038685"	37.533676	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2H"	2.014552
"210598"	49.7091426666667	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+3H"	3.021828
"650159"	74.060076	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+3H"	3.021828
"1173753"	25.3582093333333	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+3H"	3.021828
"430464"	164.139423	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+NH4"	18.033823
"792551"	237.192223	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+NH4"	18.033823
"1682321"	91.086623	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+NH4"	18.033823
"343726"	82.5733495	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+H+NH4"	19.041099
"733963"	119.0997495	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+H+NH4"	19.041099
"1488875"	46.0469495	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H+NH4"	19.041099
"407432"	169.094818	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+Na"	22.989218
"766361"	242.147618	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+Na"	22.989218
"1606811"	96.042018	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Na"	22.989218
"321216"	85.051047	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+H+Na"	23.996494
"713640"	121.577447	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+H+Na"	23.996494
"1465637"	48.524647	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H+Na"	23.996494
"1062892"	32.6855233333333	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2H+Na"	25.00377
"1263477"	106.086286	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+CH3OH+H"	33.033486
"380957"	185.068758	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+K"	38.963158
"742682"	258.121558	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+K"	38.963158
"1542912"	112.015958	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+K"	38.963158
"300450"	93.038017	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+H+K"	39.970434
"695791"	129.564417	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+H+K"	39.970434
"1447787"	56.511617	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H+K"	39.970434
"237116"	188.139426	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+ACN+H"	42.033826
"1212740"	115.086626	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+ACN+H"	42.033826
"1195896"	58.046951	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+ACN+2H"	43.041102
"193150"	191.07676	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+2Na-H"	44.97116
"634902"	264.12956	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+2Na-H"	44.97116
"1135857"	118.02396	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2Na-H"	44.97116
"178421"	96.042018	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+2Na"	45.978436
"618345"	132.568418	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+2Na"	45.978436
"1121851"	59.515618	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2Na"	45.978436
"1406104"	40.0128373333333	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H+2Na"	46.985712
"1436032"	120.065546	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H+HCOOH"	47.012746
"221352"	101.07504	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+3H2O+2H"	56.04448
"1509046"	134.11759	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+IsoProp+H"	61.06479
"410193"	104.028988	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+Na+K"	61.952376
"771553"	140.555388	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+Na+K"	61.952376
"1667521"	67.502588	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Na+K"	61.952376
"254038"	210.121368	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+ACN+Na"	64.015768
"1228940"	137.068568	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+ACN+Na"	64.015768
"1720020"	137.092093	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+NH4+HCOOH"	64.039293
"1179175"	47.3401513333333	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+3Na"	68.967654
"1652350"	142.047488	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Na+HCOOH"	68.994688
"162129"	223.02464	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+2K-H"	76.91904
"610438"	296.07744	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+2K-H"	76.91904
"1091670"	149.97184	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2K-H"	76.91904
"146296"	112.015958	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"2M+2K"	77.926316
"585863"	148.542358	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"3M+2K"	77.926316
"1073655"	75.489558	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2K"	77.926316
"1106866"	151.986392	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2K+H"	78.933592
"1343252"	152.074007	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+DMSO+H"	79.021207
"1015064"	156.113176	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2ACN+H"	83.060376
"1533187"	157.106808	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+IsoProp+Na+H"	84.054008
"1000730"	78.560226	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+2ACN+2H"	84.067652
"1593046"	158.021428	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+K+HCOOH"	84.968628
"1425267"	188.052938	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+H+CF3COOH"	115.000138
"1150089"	99.073501	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+3ACN+2H"	125.094202
"1708391"	205.079485	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+NH4+CF3COOH"	132.026685
"1638574"	210.03488	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+Na+CF3COOH"	136.98208
"1586257"	226.00882	"C01888"	"Aminoacetone;1-Amino-2-propanone"	"C3H7NO"	"73.0528"	"M+K+CF3COOH"	152.95602
"813343"	149.9809	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M"	0
"985782"	130.96251	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-H2O-H"	-19.01839
"77307"	98.9799906666667	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M-3H"	-3.021828
"513586"	148.973624	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M-3H"	-3.021828
"893577"	48.9863573333333	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-3H"	-3.021828
"4496"	148.973624	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M-2H"	-2.014552
"442962"	223.964074	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M-2H"	-2.014552
"824046"	73.983174	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-2H"	-2.014552
"88411"	298.954524	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M-H"	-1.007276
"526877"	448.935424	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M-H"	-1.007276
"896535"	148.973624	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-H"	-1.007276
"47670"	315.981071	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M-2H+NH4"	16.019271
"487548"	465.961971	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M-2H+NH4"	16.019271
"870953"	166.000171	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-2H+NH4"	16.019271
"37761"	320.936466	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M-2H+Na"	20.974666
"477320"	470.917366	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M-2H+Na"	20.974666
"854030"	170.955566	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-2H+Na"	20.974666
"1632315"	170.955566	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Na-2H"	20.974666
"109577"	166.961963	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M-H+Cl"	33.962126
"546219"	241.952413	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M-H+Cl"	33.962126
"942532"	91.971513	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-H+Cl"	33.962126
"277196"	334.931202	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+Cl"	34.969402
"674362"	484.912102	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+Cl"	34.969402
"1280929"	184.950302	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Cl"	34.969402
"27859"	336.910406	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M-2H+K"	36.948606
"468877"	486.891306	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M-2H+K"	36.948606
"845951"	186.929506	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-2H+K"	36.948606
"1565426"	186.929506	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+K-2H"	36.948606
"951122"	194.979094	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-H+HCOOH"	44.998194
"370433"	344.960001	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+HCOOH-H"	44.998201
"355410"	358.975651	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+Hac-H"	59.013851
"1500964"	208.994751	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Hac-H"	59.013851
"967410"	216.961051	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-H+NaCOOH"	66.980151
"118504"	184.950302	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+2Cl"	69.938804
"559163"	259.940752	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+2Cl"	69.938804
"1034526"	109.959852	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2Cl"	69.938804
"1256822"	228.899785	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Br"	78.918885
"1319636"	230.955772	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Cl+HCOOH"	80.974872
"1335023"	252.937729	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Cl+NaCOOH"	102.956829
"924620"	262.966486	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M-H+CF3COOH"	112.985586
"1301813"	298.943164	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Cl+CF3COOH"	148.962264
"1380949"	114.968224	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H-2H2O"	-35.012676
"1396989"	132.9782	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H-H2O"	-17.0027
"291696"	300.969076	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+H"	1.007276
"677920"	450.949976	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+H"	1.007276
"1356090"	150.988176	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H"	1.007276
"135542"	150.988176	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+2H"	2.014552
"571820"	225.978626	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+2H"	2.014552
"1043902"	75.997726	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2H"	2.014552
"209615"	100.994542666667	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+3H"	3.021828
"656466"	150.988176	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+3H"	3.021828
"1169488"	51.0009093333333	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+3H"	3.021828
"426564"	317.995623	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+NH4"	18.033823
"789382"	467.976523	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+NH4"	18.033823
"1686804"	168.014723	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+NH4"	18.033823
"332531"	159.5014495	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+H+NH4"	19.041099
"730786"	234.4918995	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+H+NH4"	19.041099
"1491171"	84.5109995	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H+NH4"	19.041099
"397827"	322.951018	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+Na"	22.989218
"761006"	472.931918	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+Na"	22.989218
"1612382"	172.970118	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Na"	22.989218
"326793"	161.979147	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+H+Na"	23.996494
"714839"	236.969597	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+H+Na"	23.996494
"1470849"	86.988697	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H+Na"	23.996494
"1057535"	58.3282233333333	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2H+Na"	25.00377
"1265774"	183.014386	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+CH3OH+H"	33.033486
"383257"	338.924958	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+K"	38.963158
"745348"	488.905858	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+K"	38.963158
"1550679"	188.944058	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+K"	38.963158
"308948"	169.966117	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+H+K"	39.970434
"696996"	244.956567	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+H+K"	39.970434
"1449723"	94.975667	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H+K"	39.970434
"239418"	341.995626	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+ACN+H"	42.033826
"1214317"	192.014726	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+ACN+H"	42.033826
"1196012"	96.511001	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+ACN+2H"	43.041102
"198736"	344.93296	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+2Na-H"	44.97116
"639391"	494.91386	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+2Na-H"	44.97116
"1135604"	194.95206	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2Na-H"	44.97116
"179627"	172.970118	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+2Na"	45.978436
"618093"	247.960568	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+2Na"	45.978436
"1119406"	97.979668	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2Na"	45.978436
"1401109"	65.6555373333333	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H+2Na"	46.985712
"1438333"	196.993646	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H+HCOOH"	47.012746
"229121"	178.00314	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+3H2O+2H"	56.04448
"1517184"	211.04569	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+IsoProp+H"	61.06479
"414316"	180.957088	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+Na+K"	61.952376
"775678"	255.947538	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+Na+K"	61.952376
"1666538"	105.966638	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Na+K"	61.952376
"254159"	363.977568	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+ACN+Na"	64.015768
"1226867"	213.996668	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+ACN+Na"	64.015768
"1716849"	214.020193	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+NH4+HCOOH"	64.039293
"1181112"	72.9828513333333	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+3Na"	68.967654
"1653555"	218.975588	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Na+HCOOH"	68.994688
"159685"	376.88084	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+2K-H"	76.91904
"600708"	526.86174	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+2K-H"	76.91904
"1089596"	226.89994	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2K-H"	76.91904
"151520"	188.944058	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"2M+2K"	77.926316
"585973"	263.934508	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"3M+2K"	77.926316
"1072672"	113.953608	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2K"	77.926316
"1102601"	228.914492	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2K+H"	78.933592
"1341174"	229.002107	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+DMSO+H"	79.021207
"1011891"	233.041276	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2ACN+H"	83.060376
"1532206"	234.034908	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+IsoProp+Na+H"	84.054008
"992091"	117.024276	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+2ACN+2H"	84.067652
"1590970"	234.949528	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+K+HCOOH"	84.968628
"1418817"	264.981038	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+H+CF3COOH"	115.000138
"1151293"	137.537551	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+3ACN+2H"	125.094202
"1699753"	282.007585	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+NH4+CF3COOH"	132.026685
"1638689"	286.96298	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+Na+CF3COOH"	136.98208
"1586369"	302.93692	"C01892"	"Asparagusate;Asparagusic acid"	"C4H6O2S2"	"149.9809"	"M+K+CF3COOH"	152.95602
"806892"	243.1041	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M"	0
"977144"	224.08571	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-H2O-H"	-19.01839
"70856"	161.062124	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M-3H"	-3.021828
"513696"	242.096824	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M-3H"	-3.021828
"889312"	80.027424	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-3H"	-3.021828
"1690"	242.096824	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M-2H"	-2.014552
"441126"	363.648874	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M-2H"	-2.014552
"827436"	120.544774	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-2H"	-2.014552
"86334"	485.200924	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M-H"	-1.007276
"518966"	728.305024	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M-H"	-1.007276
"896074"	242.096824	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-H"	-1.007276
"47981"	502.227471	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M-2H+NH4"	16.019271
"487298"	745.331571	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M-2H+NH4"	16.019271
"867783"	259.123371	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-2H+NH4"	16.019271
"35684"	507.182866	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M-2H+Na"	20.974666
"476337"	750.286966	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M-2H+Na"	20.974666
"854140"	264.078766	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-2H+Na"	20.974666
"1632425"	264.078766	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Na-2H"	20.974666
"109646"	260.085163	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M-H+Cl"	33.962126
"547422"	381.637213	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M-H+Cl"	33.962126
"941672"	138.533113	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-H+Cl"	33.962126
"277306"	521.177602	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+Cl"	34.969402
"674470"	764.281702	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+Cl"	34.969402
"1284320"	278.073502	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Cl"	34.969402
"27241"	523.156806	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M-2H+K"	36.948606
"468258"	766.260906	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M-2H+K"	36.948606
"844968"	280.052706	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-2H+K"	36.948606
"1569910"	280.052706	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+K-2H"	36.948606
"951233"	288.102294	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-H+HCOOH"	44.998194
"373095"	531.206401	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+HCOOH-H"	44.998201
"355520"	545.222051	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+Hac-H"	59.013851
"1496701"	302.117951	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Hac-H"	59.013851
"969707"	310.084251	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-H+NaCOOH"	66.980151
"118615"	278.073502	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+2Cl"	69.938804
"559273"	399.625552	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+2Cl"	69.938804
"1034271"	156.521452	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2Cl"	69.938804
"1256813"	322.022985	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Br"	78.918885
"1319705"	324.078972	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Cl+HCOOH"	80.974872
"1334891"	346.060929	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Cl+NaCOOH"	102.956829
"924123"	356.089686	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M-H+CF3COOH"	112.985586
"1300830"	392.066364	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Cl+CF3COOH"	148.962264
"1381181"	208.091424	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H-2H2O"	-35.012676
"1392117"	226.1014	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H-H2O"	-17.0027
"293994"	487.215476	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+H"	1.007276
"679853"	730.319576	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+H"	1.007276
"1359482"	244.111376	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H"	1.007276
"133466"	244.111376	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+2H"	2.014552
"578492"	365.663426	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+2H"	2.014552
"1051668"	122.559326	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2H"	2.014552
"211913"	163.076676	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+3H"	3.021828
"655847"	244.111376	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+3H"	3.021828
"1175066"	82.041976	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+3H"	3.021828
"435058"	504.242023	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+NH4"	18.033823
"791679"	747.346123	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+NH4"	18.033823
"1691288"	261.137923	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+NH4"	18.033823
"331913"	252.6246495	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+H+NH4"	19.041099
"724699"	374.1766995	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+H+NH4"	19.041099
"1488727"	131.0725995	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H+NH4"	19.041099
"400125"	509.197418	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+Na"	22.989218
"756010"	752.301518	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+Na"	22.989218
"1613586"	266.093318	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Na"	22.989218
"320345"	255.102347	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+H+Na"	23.996494
"719326"	376.654397	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+H+Na"	23.996494
"1470960"	133.550297	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H+Na"	23.996494
"1058009"	89.36929	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2H+Na"	25.00377
"1262604"	276.137586	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+CH3OH+H"	33.033486
"381179"	525.171358	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+K"	38.963158
"741448"	768.275458	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+K"	38.963158
"1548603"	282.067258	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+K"	38.963158
"305778"	263.089317	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+H+K"	39.970434
"696012"	384.641367	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+H+K"	39.970434
"1446917"	141.537267	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H+K"	39.970434
"237705"	528.242026	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+ACN+H"	42.033826
"1210659"	285.137926	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+ACN+H"	42.033826
"1196491"	143.072601	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+ACN+2H"	43.041102
"197752"	531.17936	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+2Na-H"	44.97116
"639500"	774.28346	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+2Na-H"	44.97116
"1138995"	288.07526	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2Na-H"	44.97116
"175358"	266.093318	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+2Na"	45.978436
"617835"	387.645368	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+2Na"	45.978436
"1119153"	144.541268	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2Na"	45.978436
"1407418"	96.696604	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H+2Na"	46.985712
"1437350"	290.116846	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H+HCOOH"	47.012746
"228138"	271.12634	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+3H2O+2H"	56.04448
"1517294"	304.16889	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+IsoProp+H"	61.06479
"412970"	274.080288	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+Na+K"	61.952376
"775788"	395.632338	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+Na+K"	61.952376
"1672117"	152.528238	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Na+K"	61.952376
"253173"	550.223968	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+ACN+Na"	64.015768
"1228797"	307.119868	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+ACN+Na"	64.015768
"1717323"	307.143393	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+NH4+HCOOH"	64.039293
"1181222"	104.023918	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+3Na"	68.967654
"1653665"	312.098788	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Na+HCOOH"	68.994688
"158338"	563.12724	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+2K-H"	76.91904
"601911"	806.23134	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+2K-H"	76.91904
"1087154"	320.02314	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2K-H"	76.91904
"151630"	282.067258	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"2M+2K"	77.926316
"586083"	403.619308	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"3M+2K"	77.926316
"1072782"	160.515208	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2K"	77.926316
"1104898"	322.037692	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2K+H"	78.933592
"1341284"	322.125307	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+DMSO+H"	79.021207
"1012001"	326.164476	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2ACN+H"	83.060376
"1529035"	327.158108	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+IsoProp+Na+H"	84.054008
"992201"	163.585876	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+2ACN+2H"	84.067652
"1591080"	328.072728	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+K+HCOOH"	84.968628
"1418927"	358.104238	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+H+CF3COOH"	115.000138
"1151403"	184.099151	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+3ACN+2H"	125.094202
"1702051"	375.130785	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+NH4+CF3COOH"	132.026685
"1638799"	380.08618	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+Na+CF3COOH"	136.98208
"1586479"	396.06012	"C01893"	"Biotin amide"	"C10H17N3O2S"	"243.1041"	"M+K+CF3COOH"	152.95602
"817072"	993.1928	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M"	0
"986002"	974.17441	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-H2O-H"	-19.01839
"76433"	661.121257333333	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M-3H"	-3.021828
"518508"	992.185524	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M-3H"	-3.021828
"894525"	330.056990666667	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-3H"	-3.021828
"14926"	992.185524	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M-2H"	-2.014552
"454850"	1488.781924	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M-2H"	-2.014552
"830829"	495.589124	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-2H"	-2.014552
"93372"	1985.378324	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M-H"	-1.007276
"520905"	2978.571124	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M-H"	-1.007276
"900528"	992.185524	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-H"	-1.007276
"53810"	2002.404871	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M-2H+NH4"	16.019271
"491182"	2995.597671	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M-2H+NH4"	16.019271
"865340"	1009.212071	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-2H+NH4"	16.019271
"32752"	2007.360266	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M-2H+Na"	20.974666
"473167"	3000.553066	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M-2H+Na"	20.974666
"857532"	1014.167466	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-2H+Na"	20.974666
"1632535"	1014.167466	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Na-2H"	20.974666
"109315"	1010.173863	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M-H+Cl"	33.962126
"549361"	1506.770263	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M-H+Cl"	33.962126
"940685"	513.577463	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-H+Cl"	33.962126
"281672"	2021.355002	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+Cl"	34.969402
"674215"	3014.547802	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+Cl"	34.969402
"1287998"	1028.162202	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Cl"	34.969402
"29540"	2023.334206	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M-2H+K"	36.948606
"470925"	3016.527006	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M-2H+K"	36.948606
"848476"	1030.141406	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-2H+K"	36.948606
"1567834"	1030.141406	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+K-2H"	36.948606
"956449"	1038.190994	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-H+HCOOH"	44.998194
"373937"	2031.383801	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+HCOOH-H"	44.998201
"354540"	2045.399451	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+Hac-H"	59.013851
"1504103"	1052.206651	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Hac-H"	59.013851
"972743"	1060.172951	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-H+NaCOOH"	66.980151
"125412"	1028.162202	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+2Cl"	69.938804
"565218"	1524.758602	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+2Cl"	69.938804
"1036816"	531.565802	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2Cl"	69.938804
"1256395"	1072.111685	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Br"	78.918885
"1319450"	1074.167672	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Cl+HCOOH"	80.974872
"1334634"	1096.149629	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Cl+NaCOOH"	102.956829
"926056"	1106.178386	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M-H+CF3COOH"	112.985586
"1302889"	1142.155064	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Cl+CF3COOH"	148.962264
"1380932"	958.180124	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H-2H2O"	-35.012676
"1397213"	976.1901	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H-H2O"	-17.0027
"295198"	1987.392876	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+H"	1.007276
"690293"	2980.585676	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+H"	1.007276
"1361781"	994.200076	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H"	1.007276
"134669"	994.200076	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+2H"	2.014552
"568032"	1490.796476	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+2H"	2.014552
"1037558"	497.603676	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2H"	2.014552
"212022"	663.135809333333	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+3H"	3.021828
"647208"	994.200076	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+3H"	3.021828
"1169708"	332.071542666667	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+3H"	3.021828
"435170"	2004.419423	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+NH4"	18.033823
"793976"	2997.612223	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+NH4"	18.033823
"1688118"	1011.226623	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+NH4"	18.033823
"331659"	1002.7133495	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+H+NH4"	19.041099
"727726"	1499.3097495	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+H+NH4"	19.041099
"1485921"	506.1169495	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H+NH4"	19.041099
"401329"	2009.374818	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+Na"	22.989218
"759043"	3002.567618	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+Na"	22.989218
"1610417"	1016.182018	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Na"	22.989218
"318269"	1005.191047	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+H+Na"	23.996494
"717250"	1501.787447	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+H+Na"	23.996494
"1471071"	508.594647	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H+Na"	23.996494
"1057026"	339.398856666667	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2H+Na"	25.00377
"1261987"	1026.226286	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+CH3OH+H"	33.033486
"382384"	2025.348758	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+K"	38.963158
"745567"	3018.541558	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+K"	38.963158
"1548713"	1032.155958	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+K"	38.963158
"304795"	1013.178017	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+H+K"	39.970434
"696123"	1509.774417	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+H+K"	39.970434
"1447027"	516.581617	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H+K"	39.970434
"237083"	2028.419426	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+ACN+H"	42.033826
"1210320"	1035.226626	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+ACN+H"	42.033826
"1204987"	518.116951	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+ACN+2H"	43.041102
"196768"	2031.35676	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+2Na-H"	44.97116
"634869"	3024.54956	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+2Na-H"	44.97116
"1135822"	1038.16396	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2Na-H"	44.97116
"175832"	1016.182018	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+2Na"	45.978436
"614661"	1512.778418	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+2Na"	45.978436
"1117076"	519.585618	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2Na"	45.978436
"1407528"	346.726170666667	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H+2Na"	46.985712
"1444751"	1040.205546	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H+HCOOH"	47.012746
"230436"	1021.21504	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+3H2O+2H"	56.04448
"1515218"	1054.25759	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+IsoProp+H"	61.06479
"415997"	1024.168988	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+Na+K"	61.952376
"779179"	1520.765388	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+Na+K"	61.952376
"1669679"	527.572588	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Na+K"	61.952376
"255837"	2050.401368	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+ACN+Na"	64.015768
"1227813"	1057.208568	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+ACN+Na"	64.015768
"1717797"	1057.232093	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+NH4+HCOOH"	64.039293
"1179507"	354.053484666667	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+3Na"	68.967654
"1656325"	1062.187488	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Na+HCOOH"	68.994688
"161364"	2063.30464	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+2K-H"	76.91904
"603478"	3056.49744	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+2K-H"	76.91904
"1088357"	1070.11184	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2K-H"	76.91904
"154655"	1032.155958	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"2M+2K"	77.926316
"584369"	1528.752358	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"3M+2K"	77.926316
"1072893"	535.559558	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2K"	77.926316
"1105009"	1072.126392	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2K+H"	78.933592
"1346863"	1072.214007	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+DMSO+H"	79.021207
"1017215"	1076.253176	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2ACN+H"	83.060376
"1529144"	1077.246808	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+IsoProp+Na+H"	84.054008
"997781"	538.630226	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+2ACN+2H"	84.067652
"1592283"	1078.161428	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+K+HCOOH"	84.968628
"1419037"	1108.192938	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+H+CF3COOH"	115.000138
"1151513"	559.143501	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+3ACN+2H"	125.094202
"1703253"	1125.219485	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+NH4+CF3COOH"	132.026685
"1638909"	1130.17488	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+Na+CF3COOH"	136.98208
"1586589"	1146.14882	"C01894"	"Biotinyl-CoA"	"C31H50N9O18P3S2"	"993.1928"	"M+K+CF3COOH"	152.95602
"813673"	1424.5561	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M"	0
"980644"	1405.53771	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-H2O-H"	-19.01839
"69982"	948.696790666667	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M-3H"	-3.021828
"510636"	1423.548824	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M-3H"	-3.021828
"891719"	473.844757333333	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-3H"	-3.021828
"14670"	1423.548824	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M-2H"	-2.014552
"453865"	2135.826874	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M-2H"	-2.014552
"824378"	711.270774	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-2H"	-2.014552
"88742"	2848.104924	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M-H"	-1.007276
"527210"	4272.661024	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M-H"	-1.007276
"902825"	1423.548824	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-H"	-1.007276
"50640"	2865.131471	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M-2H+NH4"	16.019271
"489105"	4289.687571	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M-2H+NH4"	16.019271
"864961"	1440.575371	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-2H+NH4"	16.019271
"32619"	2870.086866	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M-2H+Na"	20.974666
"474370"	4294.642966	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M-2H+Na"	20.974666
"848966"	1445.530766	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-2H+Na"	20.974666
"1632645"	1445.530766	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Na-2H"	20.974666
"109385"	1441.537163	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M-H+Cl"	33.962126
"548376"	2153.815213	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M-H+Cl"	33.962126
"941524"	729.259113	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-H+Cl"	33.962126
"281903"	2884.081602	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+Cl"	34.969402
"674325"	4308.637702	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+Cl"	34.969402
"1287824"	1459.525502	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Cl"	34.969402
"29650"	2886.060806	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M-2H+K"	36.948606
"471348"	4310.616906	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M-2H+K"	36.948606
"848394"	1461.504706	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-2H+K"	36.948606
"1565759"	1461.504706	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+K-2H"	36.948606
"952549"	1469.554294	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-H+HCOOH"	44.998194
"370766"	2894.110401	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+HCOOH-H"	44.998201
"351370"	2908.126051	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+Hac-H"	59.013851
"1505307"	1483.569951	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Hac-H"	59.013851
"970661"	1491.536251	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-H+NaCOOH"	66.980151
"123822"	1459.525502	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+2Cl"	69.938804
"565533"	2171.803552	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+2Cl"	69.938804
"1036441"	747.247452	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2Cl"	69.938804
"1256627"	1503.474985	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Br"	78.918885
"1319643"	1505.530972	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Cl+HCOOH"	80.974872
"1334379"	1527.512929	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Cl+NaCOOH"	102.956829
"926166"	1537.541686	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M-H+CF3COOH"	112.985586
"1302511"	1573.518364	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Cl+CF3COOH"	148.962264
"1381771"	1389.543424	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H-2H2O"	-35.012676
"1397809"	1407.5534	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H-H2O"	-17.0027
"297495"	2850.119476	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+H"	1.007276
"687729"	4274.675576	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+H"	1.007276
"1364078"	1425.563376	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H"	1.007276
"140005"	1425.563376	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+2H"	2.014552
"572152"	2137.841426	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+2H"	2.014552
"1037344"	713.285326	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2H"	2.014552
"212132"	950.711342666667	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+3H"	3.021828
"648046"	1425.563376	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+3H"	3.021828
"1170912"	475.859309333333	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+3H"	3.021828
"435280"	2867.146023	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+NH4"	18.033823
"796273"	4291.702123	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+NH4"	18.033823
"1690415"	1442.589923	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+NH4"	18.033823
"337601"	1434.0766495	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+H+NH4"	19.041099
"728929"	2146.3546995	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+H+NH4"	19.041099
"1486031"	721.7985995	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H+NH4"	19.041099
"403626"	2872.101418	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+Na"	22.989218
"758060"	4296.657518	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+Na"	22.989218
"1607611"	1447.545318	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Na"	22.989218
"318743"	1436.554347	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+H+Na"	23.996494
"715173"	2148.832397	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+H+Na"	23.996494
"1465350"	724.276297	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H+Na"	23.996494
"1055682"	483.186623333333	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2H+Na"	25.00377
"1259912"	1457.589586	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+CH3OH+H"	33.033486
"381400"	2888.075358	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+K"	38.963158
"742030"	4312.631458	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+K"	38.963158
"1544448"	1463.519258	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+K"	38.963158
"301623"	1444.541317	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+H+K"	39.970434
"692950"	2156.819367	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+H+K"	39.970434
"1447137"	732.263267	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H+K"	39.970434
"236825"	2891.146026	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+ACN+H"	42.033826
"1211365"	1466.589926	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+ACN+H"	42.033826
"1201817"	733.798601	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+ACN+2H"	43.041102
"196148"	2894.08336	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+2Na-H"	44.97116
"635343"	4318.63946	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+2Na-H"	44.97116
"1135932"	1469.52726	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2Na-H"	44.97116
"175942"	1447.545318	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+2Na"	45.978436
"613920"	2159.823368	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+2Na"	45.978436
"1117185"	735.267268	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2Na"	45.978436
"1407638"	490.513937333333	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H+2Na"	46.985712
"1444744"	1471.568846	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H+HCOOH"	47.012746
"231639"	1452.57834	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+3H2O+2H"	56.04448
"1515328"	1485.62089	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+IsoProp+H"	61.06479
"416107"	1455.532288	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+Na+K"	61.952376
"777102"	2167.810338	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+Na+K"	61.952376
"1670153"	743.254238	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Na+K"	61.952376
"255947"	2913.127968	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+ACN+Na"	64.015768
"1228657"	1488.571868	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+ACN+Na"	64.015768
"1722647"	1488.595393	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+NH4+HCOOH"	64.039293
"1181075"	497.841251333333	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+3Na"	68.967654
"1654977"	1493.550788	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Na+HCOOH"	68.994688
"157461"	2926.03124	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+2K-H"	76.91904
"601765"	4350.58734	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+2K-H"	76.91904
"1089196"	1501.47514	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2K-H"	76.91904
"144554"	1463.519258	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"2M+2K"	77.926316
"583387"	2175.797308	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"3M+2K"	77.926316
"1073003"	751.241208	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2K"	77.926316
"1102932"	1503.489692	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2K+H"	78.933592
"1341504"	1503.577307	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+DMSO+H"	79.021207
"1011127"	1507.616476	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2ACN+H"	83.060376
"1525975"	1508.610108	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+IsoProp+Na+H"	84.054008
"997891"	754.311876	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+2ACN+2H"	84.067652
"1589114"	1509.524728	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+K+HCOOH"	84.968628
"1418054"	1539.556238	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+H+CF3COOH"	115.000138
"1149072"	774.825151	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+3ACN+2H"	125.094202
"1702270"	1556.582785	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+NH4+CF3COOH"	132.026685
"1639019"	1561.53818	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+Na+CF3COOH"	136.98208
"1586699"	1577.51212	"C01895"	"Bleomycin B2"	"C55H84N20O21S2"	"1424.5561"	"M+K+CF3COOH"	152.95602
"813783"	348.111	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M"	0
"980754"	329.09261	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-H2O-H"	-19.01839
"70092"	231.066724	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M-3H"	-3.021828
"510746"	347.103724	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M-3H"	-3.021828
"891829"	115.029724	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-3H"	-3.021828
"14538"	347.103724	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M-2H"	-2.014552
"453611"	521.159224	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M-2H"	-2.014552
"824488"	173.048224	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-2H"	-2.014552
"83385"	695.214724	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M-H"	-1.007276
"524040"	1043.325724	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M-H"	-1.007276
"901841"	347.103724	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-H"	-1.007276
"54029"	712.241271	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M-2H+NH4"	16.019271
"490307"	1060.352271	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M-2H+NH4"	16.019271
"865558"	364.130271	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-2H+NH4"	16.019271
"32364"	717.196666	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M-2H+Na"	20.974666
"472289"	1065.307666	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M-2H+Na"	20.974666
"848918"	369.085666	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-2H+Na"	20.974666
"1630203"	369.085666	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Na-2H"	20.974666
"108927"	365.092063	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M-H+Cl"	33.962126
"548486"	539.147563	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M-H+Cl"	33.962126
"941513"	191.036563	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-H+Cl"	33.962126
"279461"	731.191402	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+Cl"	34.969402
"671154"	1079.302402	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+Cl"	34.969402
"1284650"	383.080402	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Cl"	34.969402
"29031"	733.170606	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M-2H+K"	36.948606
"470739"	1081.281606	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M-2H+K"	36.948606
"846758"	385.059606	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-2H+K"	36.948606
"1564775"	385.059606	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+K-2H"	36.948606
"950472"	393.109194	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-H+HCOOH"	44.998194
"372334"	741.220201	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+HCOOH-H"	44.998201
"351480"	755.235851	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+Hac-H"	59.013851
"1505053"	407.124851	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Hac-H"	59.013851
"969314"	415.091151	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-H+NaCOOH"	66.980151
"122960"	383.080402	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+2Cl"	69.938804
"563614"	557.135902	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+2Cl"	69.938804
"1035939"	209.024902	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2Cl"	69.938804
"1256926"	427.029885	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Br"	78.918885
"1319884"	429.085872	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Cl+HCOOH"	80.974872
"1331937"	451.067829	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Cl+NaCOOH"	102.956829
"924089"	461.096586	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M-H+CF3COOH"	112.985586
"1302621"	497.073264	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Cl+CF3COOH"	148.962264
"1379330"	313.098324	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H-2H2O"	-35.012676
"1397554"	331.1083	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H-H2O"	-17.0027
"297484"	697.229276	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+H"	1.007276
"686746"	1045.340276	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+H"	1.007276
"1360908"	349.118276	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H"	1.007276
"140357"	349.118276	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+2H"	2.014552
"572262"	523.173776	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+2H"	2.014552
"1037898"	175.062776	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2H"	2.014552
"208962"	233.081276	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+3H"	3.021828
"649615"	349.118276	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+3H"	3.021828
"1169928"	117.044276	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+3H"	3.021828
"429918"	714.255823	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+NH4"	18.033823
"795289"	1062.366823	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+NH4"	18.033823
"1691618"	366.144823	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+NH4"	18.033823
"332241"	357.6315495	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+H+NH4"	19.041099
"727945"	531.6870495	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+H+NH4"	19.041099
"1486139"	183.5760495	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H+NH4"	19.041099
"399363"	719.211218	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+Na"	22.989218
"758167"	1067.322218	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+Na"	22.989218
"1608449"	371.100218	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Na"	22.989218
"318489"	360.109247	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+H+Na"	23.996494
"717470"	534.164747	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+H+Na"	23.996494
"1468012"	186.053747	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H+Na"	23.996494
"1057612"	124.37159	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2H+Na"	25.00377
"1259292"	381.144486	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+CH3OH+H"	33.033486
"380415"	735.185158	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+K"	38.963158
"741046"	1083.296158	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+K"	38.963158
"1543464"	387.074158	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+K"	38.963158
"299909"	368.096217	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+H+K"	39.970434
"691518"	542.151717	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+H+K"	39.970434
"1445685"	194.040717	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H+K"	39.970434
"238030"	738.255826	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+ACN+H"	42.033826
"1210136"	390.144826	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+ACN+H"	42.033826
"1196823"	195.576051	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+ACN+2H"	43.041102
"193339"	741.19316	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+2Na-H"	44.97116
"630713"	1089.30416	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+2Na-H"	44.97116
"1133245"	393.08216	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2Na-H"	44.97116
"179333"	371.100218	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+2Na"	45.978436
"614519"	545.155718	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+2Na"	45.978436
"1115954"	197.044718	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2Na"	45.978436
"1400455"	131.698904	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H+2Na"	46.985712
"1438771"	395.123746	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H+HCOOH"	47.012746
"229562"	376.13324	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+3H2O+2H"	56.04448
"1515438"	409.17579	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+IsoProp+H"	61.06479
"416217"	379.087188	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+Na+K"	61.952376
"777212"	553.142688	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+Na+K"	61.952376
"1669170"	205.031688	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Na+K"	61.952376
"258243"	760.237768	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+ACN+Na"	64.015768
"1228037"	412.126768	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+ACN+Na"	64.015768
"1720205"	412.150293	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+NH4+HCOOH"	64.039293
"1181185"	139.026218	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+3Na"	68.967654
"1652900"	417.105688	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Na+HCOOH"	68.994688
"158297"	773.14104	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+2K-H"	76.91904
"601874"	1121.25204	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+2K-H"	76.91904
"1087848"	425.03004	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2K-H"	76.91904
"144298"	387.074158	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"2M+2K"	77.926316
"583133"	561.129658	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"3M+2K"	77.926316
"1073113"	213.018658	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2K"	77.926316
"1103042"	427.044592	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2K+H"	78.933592
"1340521"	427.132207	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+DMSO+H"	79.021207
"1010144"	431.171376	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2ACN+H"	83.060376
"1526085"	432.165008	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+IsoProp+Na+H"	84.054008
"998001"	216.089326	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+2ACN+2H"	84.067652
"1589224"	433.079628	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+K+HCOOH"	84.968628
"1418164"	463.111138	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+H+CF3COOH"	115.000138
"1148454"	236.602601	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+3ACN+2H"	125.094202
"1702380"	480.137685	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+NH4+CF3COOH"	132.026685
"1639129"	485.09308	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+Na+CF3COOH"	136.98208
"1586809"	501.06702	"C01897"	"Camptothecin"	"C20H16N2O4"	"348.111"	"M+K+CF3COOH"	152.95602
"812804"	426.3862	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"980869"	407.36781	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"70205"	283.250190666667	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510858"	425.378924	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"889753"	141.121457333333	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"12702"	425.378924	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"453355"	638.572024	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"827875"	212.185824	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"80942"	851.765124	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"520137"	1278.151324	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"901951"	425.378924	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"48063"	868.791671	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"488717"	1295.177871	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"864933"	442.405471	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"32473"	873.747066	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"472035"	1300.133266	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"851300"	447.360866	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1628490"	447.360866	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"108059"	443.367263	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"548964"	656.560363	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"941623"	230.174163	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"281397"	887.741802	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"674914"	1314.128002	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1284760"	461.355602	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30235"	889.721006	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"461410"	1316.107206	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"846865"	463.334806	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1565978"	463.334806	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"950582"	471.384394	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"373170"	897.770601	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"350496"	911.786251	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1497141"	485.400051	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"961404"	493.366351	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"115780"	461.355602	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"559714"	674.548702	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1030700"	248.162502	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1256111"	505.305085	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1318195"	507.361072	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1326945"	529.343029	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"923473"	539.371786	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1303100"	575.348464	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1380531"	391.373524	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1395841"	409.3835	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"297592"	853.779676	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"689042"	1280.165876	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1365391"	427.393476	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"140468"	427.393476	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"577839"	640.586576	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1039347"	214.200376	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"212353"	285.264742666667	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"649725"	427.393476	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1170038"	143.136009333333	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433311"	870.806223	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"795402"	1297.192423	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1691730"	444.420023	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"337821"	435.9067495	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"724418"	649.0998495	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1480426"	222.7136495	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"399472"	875.761618	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"759374"	1302.147818	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1614034"	449.375418	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"327349"	438.384447	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"713210"	651.577547	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1473590"	225.191347	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1062461"	150.463323333333	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1266328"	459.419686	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"383810"	891.735558	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"745897"	1318.121758	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1547949"	465.349358	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"301844"	446.371417	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"695361"	659.564517	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1446989"	233.178317	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"238881"	894.806226	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1211590"	468.420026	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1200944"	234.713651	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"190897"	897.74356	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"630095"	1324.12976	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1135788"	471.35736	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"175068"	449.375418	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"614018"	662.568518	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1118498"	236.182318	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1402387"	157.790637333333	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1431223"	473.398946	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"226388"	454.40844	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1515545"	487.45099	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"411221"	457.362388	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"774042"	670.555488	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1667093"	244.169288	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"251490"	916.788168	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1227416"	490.401968	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1714481"	490.425493	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1178737"	165.117951333333	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1650578"	495.380888	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"167533"	929.69144	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"600530"	1356.07764	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1096713"	503.30524	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"152798"	465.349358	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"593088"	678.542458	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1073224"	252.156258	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1103153"	505.319792	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1338446"	505.407407	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1009165"	509.446576	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1526197"	510.440208	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"991185"	255.226926	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1589698"	511.354828	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1423749"	541.386338	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1158413"	275.740201	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1710152"	558.412885	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1635961"	563.36828	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1586921"	579.34222	"C01902"	"Cycloartenol;9beta19-Cyclo-24-lanosten-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"812915"	152.0685	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M"	0
"980979"	133.05011	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-H2O-H"	-19.01839
"73595"	100.371724	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M-3H"	-3.021828
"516436"	151.061224	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M-3H"	-3.021828
"892051"	49.682224	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-3H"	-3.021828
"14638"	151.061224	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H"	-2.014552
"452008"	227.095474	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H"	-2.014552
"824705"	75.026974	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H"	-2.014552
"78863"	303.129724	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M-H"	-1.007276
"520368"	455.198224	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M-H"	-1.007276
"900968"	151.061224	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-H"	-1.007276
"48047"	320.156271	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H+NH4"	16.019271
"488213"	472.224771	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H+NH4"	16.019271
"864675"	168.087771	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H+NH4"	16.019271
"33435"	325.111666	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H+Na"	20.974666
"471897"	477.180166	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H+Na"	20.974666
"850194"	173.043166	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H+Na"	20.974666
"1626413"	173.043166	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na-2H"	20.974666
"109632"	169.049563	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M-H+Cl"	33.962126
"548703"	245.083813	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M-H+Cl"	33.962126
"939301"	93.015313	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+Cl"	33.962126
"278951"	339.106402	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Cl"	34.969402
"674782"	491.174902	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+Cl"	34.969402
"1287059"	187.037902	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl"	34.969402
"25240"	341.085606	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M-2H+K"	36.948606
"457148"	493.154106	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M-2H+K"	36.948606
"836042"	189.017106	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-2H+K"	36.948606
"1561713"	189.017106	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+K-2H"	36.948606
"947412"	197.066694	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+HCOOH"	44.998194
"370000"	349.135201	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+HCOOH-H"	44.998201
"348419"	363.150851	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Hac-H"	59.013851
"1495065"	211.082351	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Hac-H"	59.013851
"958675"	219.048651	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+NaCOOH"	66.980151
"112610"	187.037902	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2Cl"	69.938804
"555450"	263.072152	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2Cl"	69.938804
"1029717"	111.003652	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2Cl"	69.938804
"1252575"	230.987385	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Br"	78.918885
"1313932"	233.043372	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl+HCOOH"	80.974872
"1327055"	255.025329	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl+NaCOOH"	102.956829
"923583"	265.054086	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M-H+CF3COOH"	112.985586
"1301024"	301.030764	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Cl+CF3COOH"	148.962264
"1379184"	117.055824	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H-2H2O"	-35.012676
"1394858"	135.0658	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H-H2O"	-17.0027
"295636"	305.144276	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H"	1.007276
"689881"	457.212776	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H"	1.007276
"1364407"	153.075776	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H"	1.007276
"140823"	153.075776	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2H"	2.014552
"576856"	229.110026	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2H"	2.014552
"1042373"	77.041526	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2H"	2.014552
"212463"	102.386276	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+3H"	3.021828
"649835"	153.075776	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+3H"	3.021828
"1166868"	51.696776	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+3H"	3.021828
"429047"	322.170823	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+NH4"	18.033823
"792230"	474.239323	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+NH4"	18.033823
"1683456"	170.102323	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+NH4"	18.033823
"331370"	161.5890495	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H+NH4"	19.041099
"724528"	237.6232995	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H+NH4"	19.041099
"1480172"	85.5547995	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+NH4"	19.041099
"399582"	327.126218	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Na"	22.989218
"760577"	479.194718	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+Na"	22.989218
"1616331"	175.057718	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na"	22.989218
"327460"	164.066747	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H+Na"	23.996494
"716600"	240.100997	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H+Na"	23.996494
"1472607"	88.032497	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+Na"	23.996494
"1064758"	59.02409	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2H+Na"	25.00377
"1263158"	185.101986	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+CH3OH+H"	33.033486
"383920"	343.100158	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+K"	38.963158
"747101"	495.168658	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+K"	38.963158
"1543685"	191.031658	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+K"	38.963158
"301224"	172.053717	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+H+K"	39.970434
"696565"	248.087967	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+H+K"	39.970434
"1449288"	96.019467	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+K"	39.970434
"238262"	346.170826	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+ACN+H"	42.033826
"1210971"	194.102326	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+ACN+H"	42.033826
"1202147"	97.554801	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+ACN+2H"	43.041102
"191007"	349.10816	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2Na-H"	44.97116
"630933"	501.17666	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2Na-H"	44.97116
"1136991"	197.03966	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2Na-H"	44.97116
"176636"	175.057718	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2Na"	45.978436
"620205"	251.091968	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2Na"	45.978436
"1118000"	99.023468	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2Na"	45.978436
"1402864"	66.351404	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+2Na"	46.985712
"1433155"	199.081246	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+HCOOH"	47.012746
"225405"	180.09074	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+3H2O+2H"	56.04448
"1518935"	213.13329	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+IsoProp+H"	61.06479
"412060"	183.044688	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+Na+K"	61.952376
"773058"	259.078938	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+Na+K"	61.952376
"1666472"	107.010438	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na+K"	61.952376
"252140"	368.152768	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+ACN+Na"	64.015768
"1227892"	216.084268	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+ACN+Na"	64.015768
"1719332"	216.107793	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+NH4+HCOOH"	64.039293
"1182863"	73.678718	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+3Na"	68.967654
"1654939"	221.063188	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na+HCOOH"	68.994688
"160708"	381.05604	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2K-H"	76.91904
"600269"	533.12454	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2K-H"	76.91904
"1085513"	228.98754	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2K-H"	76.91904
"141597"	191.031658	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"2M+2K"	77.926316
"583716"	267.065908	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"3M+2K"	77.926316
"1075521"	114.997408	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2K"	77.926316
"1102532"	231.002092	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2K+H"	78.933592
"1336368"	231.089707	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+DMSO+H"	79.021207
"1005869"	235.128876	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2ACN+H"	83.060376
"1526303"	236.122508	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+IsoProp+Na+H"	84.054008
"990442"	118.068076	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+2ACN+2H"	84.067652
"1587983"	237.037128	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+K+HCOOH"	84.968628
"1417653"	267.068638	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+H+CF3COOH"	115.000138
"1150861"	138.581351	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+3ACN+2H"	125.094202
"1698587"	284.095185	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+NH4+CF3COOH"	132.026685
"1642630"	289.05058	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+Na+CF3COOH"	136.98208
"1573906"	305.02452	"C01904"	"D-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol"	"C5H12O5"	"152.0685"	"M+K+CF3COOH"	152.95602
"807557"	132.0535	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M"	0
"981089"	113.03511	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"73705"	87.0283906666667	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"514359"	131.046224	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"892161"	43.0105573333333	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"14990"	131.046224	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"453211"	197.072974	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"824815"	65.019474	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"82256"	263.099724	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"522545"	395.153224	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"897430"	131.046224	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"48157"	280.126271	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"487956"	412.179771	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"864545"	148.072771	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"33424"	285.081666	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"473832"	417.135166	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"850790"	153.028166	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1626523"	153.028166	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"109819"	149.034563	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"548934"	215.061313	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"939411"	83.007813	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"279061"	299.076402	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"675556"	431.129902	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1288060"	167.022902	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"26443"	301.055606	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"457621"	433.109106	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"836151"	169.002106	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1561823"	169.002106	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"947522"	177.051694	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"371203"	309.105201	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"350713"	323.120851	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1493593"	191.067351	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"959548"	199.033651	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"110643"	167.022902	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"552279"	233.049652	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1029827"	100.996152	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1252685"	210.972385	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1314042"	213.028372	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1327165"	235.010329	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"921506"	245.039086	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1302587"	281.015764	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1379294"	97.040824	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1394968"	115.0508	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"294653"	265.114276	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"689262"	397.167776	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1364517"	133.060776	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"139961"	133.060776	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"576966"	199.087526	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1042483"	67.034026	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"213666"	89.0429426666667	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"649945"	133.060776	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1166978"	45.0251093333333	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"429521"	282.140823	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"790152"	414.194323	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1683200"	150.087323	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"330426"	141.5740495	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"725000"	207.6007995	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1481011"	75.5472995	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"399692"	287.096218	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"759594"	419.149718	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1612068"	155.042718	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"325384"	144.051747	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"715617"	210.078497	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1468343"	78.024997	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1065961"	52.3524233333333	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1263268"	165.086986	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"384030"	303.070158	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"747211"	435.123658	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1544888"	171.016658	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"302064"	152.038717	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"694489"	218.065467	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1447940"	86.011967	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"240194"	306.140826	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1210959"	174.087326	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1202257"	87.547301	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"190753"	309.07816	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"631165"	441.13166	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1136009"	177.02466	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"178205"	155.042718	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"619951"	221.069468	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1118110"	89.015968	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1401881"	59.6797373333333	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1432901"	179.066246	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"226608"	160.07574	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1518681"	193.11829	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"412170"	163.029688	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"774260"	229.056438	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1666825"	97.002938	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"253102"	328.122768	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1229095"	196.069268	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1719442"	196.092793	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1182609"	67.0070513333333	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1656512"	201.048188	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"161550"	341.02604	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"600379"	473.07954	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1087078"	208.97254	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"142070"	171.016658	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"584556"	237.043408	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1075631"	104.989908	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1102278"	210.987092	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1339761"	211.074707	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1012664"	215.113876	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1525316"	216.107508	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"990672"	108.060576	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1587729"	217.022128	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1417399"	247.053638	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1148784"	128.573851	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1697280"	264.080185	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1642740"	269.03558	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1574016"	285.00952	"C01905"	"D-Asparagine"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"814226"	180.0634	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M"	0
"984478"	161.04501	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"75639"	119.034990666667	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"516658"	179.056124	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"892271"	59.0138573333333	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"14856"	179.056124	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"448218"	269.087824	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"828205"	89.024424	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"83094"	359.119524	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"523383"	539.182924	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"899728"	179.056124	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"51188"	376.146071	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"488559"	556.209471	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"868549"	196.082671	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"31833"	381.101466	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"472849"	561.164866	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"850658"	201.038066	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1629914"	201.038066	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"109777"	197.044463	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"549822"	287.076163	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"942756"	107.012763	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"282292"	395.096202	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"670499"	575.159602	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1287886"	215.032802	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"30928"	397.075406	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"460648"	577.138806	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"841728"	217.012006	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1564121"	217.012006	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"949818"	225.061594	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"373500"	405.125001	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351918"	419.140651	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1494556"	239.077251	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"958931"	247.043551	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"110512"	215.032802	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"553481"	305.064502	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1028842"	125.001102	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1250607"	258.982285	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1315245"	261.038272	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1323995"	283.020229	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"923802"	293.048986	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296136"	329.025664	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1379768"	145.050724	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1396171"	163.0607	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"294763"	361.134076	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"690465"	541.197476	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1364627"	181.070676	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"141164"	181.070676	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"579263"	271.102376	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1041500"	91.038976	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"212683"	121.049542666667	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"650419"	181.070676	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1167088"	61.0284093333333	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"429267"	378.160623	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"789168"	558.224023	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1684403"	198.097223	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"331588"	189.5839495	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"730582"	279.6156495	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1481121"	99.5522495	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"397615"	383.116018	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"756788"	563.179418	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1615458"	203.052618	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"325493"	192.061647	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"715726"	282.093347	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1471734"	102.029947	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1059510"	68.3557233333333	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1262284"	213.096886	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"385234"	399.089958	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"746227"	579.153358	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1541718"	219.026558	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"299009"	200.048617	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"694597"	290.080317	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1447687"	110.016917	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"238117"	402.160626	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1211553"	222.097226	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1202367"	111.552251	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"191957"	405.09796	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"630788"	585.16136	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1134659"	225.03456	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"175153"	203.052618	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"620425"	293.084318	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1118825"	113.020918	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1402351"	75.6830373333333	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1435929"	227.076146	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"230000"	208.08564	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1518060"	241.12819	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"417748"	211.039588	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"776557"	301.071288	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1666451"	121.007888	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"252849"	424.142568	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1230298"	244.079168	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1719188"	244.102693	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1187458"	83.0103513333333	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656622"	249.058088	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"161660"	437.04584	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"605956"	617.10924	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1091563"	256.98244	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"142222"	219.026558	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"586853"	309.058258	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1075741"	128.994858	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1102388"	258.996992	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1342058"	259.084607	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1012774"	263.123776	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1525306"	264.117408	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"991878"	132.065526	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1588325"	265.032028	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1420789"	295.063538	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1148530"	152.578801	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1698442"	312.090085	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1642850"	317.04548	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1574126"	333.01942	"C01906"	"D-Hamamelose;Hamamelose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"811056"	527.1791	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M"	0
"981308"	508.16071	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-H2O-H"	-19.01839
"73925"	350.445457333333	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M-3H"	-3.021828
"515674"	526.171824	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M-3H"	-3.021828
"892381"	174.719090666667	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-3H"	-3.021828
"12778"	526.171824	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M-2H"	-2.014552
"454525"	789.761374	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M-2H"	-2.014552
"829046"	262.582274	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-2H"	-2.014552
"83935"	1053.350924	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M-H"	-1.007276
"522401"	1580.530024	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M-H"	-1.007276
"901297"	526.171824	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-H"	-1.007276
"50205"	1070.377471	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M-2H+NH4"	16.019271
"490858"	1597.556571	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M-2H+NH4"	16.019271
"866473"	543.198371	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-2H+NH4"	16.019271
"32308"	1075.332866	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M-2H+Na"	20.974666
"472838"	1602.511966	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M-2H+Na"	20.974666
"850645"	548.153766	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-2H+Na"	20.974666
"1630024"	548.153766	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Na-2H"	20.974666
"109723"	544.160163	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M-H+Cl"	33.962126
"547937"	807.749713	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M-H+Cl"	33.962126
"942674"	280.570613	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-H+Cl"	33.962126
"280012"	1089.327602	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+Cl"	34.969402
"669516"	1616.506702	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+Cl"	34.969402
"1284105"	562.148502	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Cl"	34.969402
"30877"	1091.306806	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M-2H+K"	36.948606
"459665"	1618.485906	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M-2H+K"	36.948606
"840746"	564.127706	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-2H+K"	36.948606
"1563137"	564.127706	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+K-2H"	36.948606
"952117"	572.177294	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-H+HCOOH"	44.998194
"371424"	1099.356401	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+HCOOH-H"	44.998201
"348749"	1113.372051	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+Hac-H"	59.013851
"1495395"	586.192951	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Hac-H"	59.013851
"958529"	594.159251	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-H+NaCOOH"	66.980151
"110160"	562.148502	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+2Cl"	69.938804
"555779"	825.738052	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+2Cl"	69.938804
"1030047"	298.558952	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2Cl"	69.938804
"1253998"	606.097985	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Br"	78.918885
"1315355"	608.153972	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Cl+HCOOH"	80.974872
"1324105"	630.135929	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Cl+NaCOOH"	102.956829
"922819"	640.164686	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M-H+CF3COOH"	112.985586
"1300257"	676.141364	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Cl+CF3COOH"	148.962264
"1379514"	492.166424	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H-2H2O"	-35.012676
"1396282"	510.1764	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H-H2O"	-17.0027
"293781"	1055.365476	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+H"	1.007276
"688389"	1582.544576	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+H"	1.007276
"1362552"	528.186376	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H"	1.007276
"137629"	528.186376	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+2H"	2.014552
"580470"	791.775926	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+2H"	2.014552
"1044892"	264.596826	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2H"	2.014552
"214980"	352.460009333333	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+3H"	3.021828
"652353"	528.186376	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+3H"	3.021828
"1169385"	176.733642666667	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+3H"	3.021828
"432660"	1072.392023	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+NH4"	18.033823
"791466"	1599.571123	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+NH4"	18.033823
"1685973"	545.212923	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+NH4"	18.033823
"330727"	536.6996495	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+H+NH4"	19.041099
"727412"	800.2891995	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+H+NH4"	19.041099
"1481231"	273.1100995	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H+NH4"	19.041099
"393588"	1077.347418	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+Na"	22.989218
"754324"	1604.526518	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+Na"	22.989218
"1604267"	550.168318	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Na"	22.989218
"316124"	539.177347	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+H+Na"	23.996494
"708548"	802.766897	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+H+Na"	23.996494
"1464552"	275.587797	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H+Na"	23.996494
"1058529"	184.060956666667	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2H+Na"	25.00377
"1259842"	560.212586	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+CH3OH+H"	33.033486
"384250"	1093.321358	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+K"	38.963158
"746338"	1620.500458	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+K"	38.963158
"1545110"	566.142258	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+K"	38.963158
"304472"	547.164317	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+H+K"	39.970434
"695801"	810.753867	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+H+K"	39.970434
"1448535"	283.574767	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H+K"	39.970434
"239323"	1096.392026	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+ACN+H"	42.033826
"1211544"	569.212926	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+ACN+H"	42.033826
"1195912"	285.110101	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+ACN+2H"	43.041102
"198629"	1099.32936	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+2Na-H"	44.97116
"630900"	1626.50846	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+2Na-H"	44.97116
"1132585"	572.15026	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2Na-H"	44.97116
"180612"	550.168318	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+2Na"	45.978436
"619078"	813.757868	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+2Na"	45.978436
"1118206"	286.578768	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2Na"	45.978436
"1399178"	191.388270666667	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H+2Na"	46.985712
"1436039"	574.191846	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H+HCOOH"	47.012746
"229015"	555.20134	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+3H2O+2H"	56.04448
"1519264"	588.24389	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+IsoProp+H"	61.06479
"413484"	558.155288	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+Na+K"	61.952376
"774482"	821.744838	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+Na+K"	61.952376
"1667534"	294.565738	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Na+K"	61.952376
"251744"	1118.373968	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+ACN+Na"	64.015768
"1228950"	591.194868	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+ACN+Na"	64.015768
"1716741"	591.218393	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+NH4+HCOOH"	64.039293
"1179548"	198.715584666667	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+3Na"	68.967654
"1652721"	596.173788	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Na+HCOOH"	68.994688
"161404"	1131.27724	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+2K-H"	76.91904
"602059"	1658.45634	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+2K-H"	76.91904
"1091674"	604.09814	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2K-H"	76.91904
"142051"	566.142258	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"2M+2K"	77.926316
"586963"	829.731808	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"3M+2K"	77.926316
"1076944"	302.552708	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2K"	77.926316
"1110885"	606.112692	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2K+H"	78.933592
"1338887"	606.200307	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+DMSO+H"	79.021207
"1012884"	610.239476	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2ACN+H"	83.060376
"1526635"	611.233108	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+IsoProp+Na+H"	84.054008
"991990"	305.623376	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+2ACN+2H"	84.067652
"1590137"	612.147728	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+K+HCOOH"	84.968628
"1416162"	642.179238	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+H+CF3COOH"	115.000138
"1148272"	326.136651	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+3ACN+2H"	125.094202
"1697944"	659.205785	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+NH4+CF3COOH"	132.026685
"1641862"	664.16118	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+Na+CF3COOH"	136.98208
"1571480"	680.13512	"C01907"	"Daunorubicin;Daunomycin;()-Daunomycin"	"C27H29NO10"	"527.1791"	"M+K+CF3COOH"	152.95602
"810073"	214.1317	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M"	0
"978138"	195.11331	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-H2O-H"	-19.01839
"70755"	141.747190666667	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M-3H"	-3.021828
"514689"	213.124424	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M-3H"	-3.021828
"892491"	70.3699573333333	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-3H"	-3.021828
"14715"	213.124424	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M-2H"	-2.014552
"453541"	320.190274	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M-2H"	-2.014552
"825147"	106.058574	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-2H"	-2.014552
"85138"	427.256124	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M-H"	-1.007276
"521782"	641.387824	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M-H"	-1.007276
"903593"	213.124424	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-H"	-1.007276
"53594"	444.282671	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M-2H+NH4"	16.019271
"494247"	658.414371	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M-2H+NH4"	16.019271
"869862"	230.150971	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-2H+NH4"	16.019271
"37763"	449.238066	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M-2H+Na"	20.974666
"474041"	663.369766	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M-2H+Na"	20.974666
"854399"	235.106366	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-2H+Na"	20.974666
"1626854"	235.106366	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Na-2H"	20.974666
"108488"	231.112763	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M-H+Cl"	33.962126
"544037"	338.178613	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M-H+Cl"	33.962126
"941807"	124.046913	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-H+Cl"	33.962126
"280484"	463.232802	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+Cl"	34.969402
"672905"	677.364502	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+Cl"	34.969402
"1286279"	249.101102	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Cl"	34.969402
"28961"	465.212006	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M-2H+K"	36.948606
"459775"	679.343706	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M-2H+K"	36.948606
"840855"	251.080306	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-2H+K"	36.948606
"1559967"	251.080306	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+K-2H"	36.948606
"952226"	259.129894	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-H+HCOOH"	44.998194
"371536"	473.261601	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+HCOOH-H"	44.998201
"347036"	487.277251	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+Hac-H"	59.013851
"1496596"	273.145551	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Hac-H"	59.013851
"959073"	281.111851	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-H+NaCOOH"	66.980151
"113049"	249.101102	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+2Cl"	69.938804
"553703"	356.166952	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+2Cl"	69.938804
"1029063"	142.035252	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2Cl"	69.938804
"1256662"	293.050585	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Br"	78.918885
"1316558"	295.106572	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Cl+HCOOH"	80.974872
"1326402"	317.088529	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Cl+NaCOOH"	102.956829
"921836"	327.117286	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M-H+CF3COOH"	112.985586
"1300731"	363.093964	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Cl+CF3COOH"	148.962264
"1379624"	179.119024	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H-2H2O"	-35.012676
"1397486"	197.129	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H-H2O"	-17.0027
"296442"	429.270676	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+H"	1.007276
"683032"	643.402376	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+H"	1.007276
"1363756"	215.138976	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H"	1.007276
"136647"	215.138976	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+2H"	2.014552
"580214"	322.204826	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+2H"	2.014552
"1047188"	108.073126	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2H"	2.014552
"215092"	143.761742666667	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+3H"	3.021828
"651369"	215.138976	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+3H"	3.021828
"1173869"	72.3845093333333	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+3H"	3.021828
"433864"	446.297223	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+NH4"	18.033823
"789390"	660.428923	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+NH4"	18.033823
"1685719"	232.165523	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+NH4"	18.033823
"332172"	223.6522495	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+H+NH4"	19.041099
"729707"	330.7180995	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+H+NH4"	19.041099
"1481339"	116.5863995	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H+NH4"	19.041099
"394552"	451.252618	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+Na"	22.989218
"758824"	665.384318	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+Na"	22.989218
"1605101"	237.120918	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Na"	22.989218
"315379"	226.129947	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+H+Na"	23.996494
"710476"	333.195797	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+H+Na"	23.996494
"1465389"	119.064097	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H+Na"	23.996494
"1058637"	79.7118233333333	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2H+Na"	25.00377
"1263597"	247.165186	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+CH3OH+H"	33.033486
"382171"	467.226558	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+K"	38.963158
"748633"	681.358258	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+K"	38.963158
"1545219"	253.094858	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+K"	38.963158
"304582"	234.116917	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+H+K"	39.970434
"695911"	341.182767	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+H+K"	39.970434
"1449738"	127.051067	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H+K"	39.970434
"239433"	470.297226	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+ACN+H"	42.033826
"1211167"	256.165526	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+ACN+H"	42.033826
"1196752"	128.586401	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+ACN+2H"	43.041102
"196552"	473.23456	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+2Na-H"	44.97116
"632469"	687.36626	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+2Na-H"	44.97116
"1134518"	259.10286	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2Na-H"	44.97116
"174523"	237.120918	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+2Na"	45.978436
"619188"	344.186768	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+2Na"	45.978436
"1117589"	130.055068	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2Na"	45.978436
"1402939"	87.0391373333333	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H+2Na"	46.985712
"1436149"	261.144446	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H+HCOOH"	47.012746
"226938"	242.15394	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+3H2O+2H"	56.04448
"1518281"	275.19649	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+IsoProp+H"	61.06479
"413594"	245.107888	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+Na+K"	61.952376
"776778"	352.173738	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+Na+K"	61.952376
"1666306"	138.042038	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Na+K"	61.952376
"252705"	492.279168	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+ACN+Na"	64.015768
"1227968"	278.147468	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+ACN+Na"	64.015768
"1713571"	278.170993	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+NH4+HCOOH"	64.039293
"1179657"	94.3664513333333	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+3Na"	68.967654
"1651734"	283.126388	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Na+HCOOH"	68.994688
"158233"	505.18244	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+2K-H"	76.91904
"605813"	719.31414	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+2K-H"	76.91904
"1093606"	291.05074	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2K-H"	76.91904
"142036"	253.094858	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"2M+2K"	77.926316
"588167"	360.160708	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"3M+2K"	77.926316
"1073410"	146.029008	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2K"	77.926316
"1108077"	293.065292	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2K+H"	78.933592
"1337172"	293.152907	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+DMSO+H"	79.021207
"1007161"	297.192076	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2ACN+H"	83.060376
"1525894"	298.185708	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+IsoProp+Na+H"	84.054008
"992464"	149.099676	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+2ACN+2H"	84.067652
"1587244"	299.100328	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+K+HCOOH"	84.968628
"1417732"	329.131838	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+H+CF3COOH"	115.000138
"1148747"	169.612951	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+3ACN+2H"	125.094202
"1700118"	346.158385	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+NH4+CF3COOH"	132.026685
"1640879"	351.11378	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+Na+CF3COOH"	136.98208
"1571388"	367.08772	"C01909"	"Dethiobiotin;Desthiobiotin"	"C10H18N2O3"	"214.1317"	"M+K+CF3COOH"	152.95602
"807995"	733.4612	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M"	0
"978248"	714.44281	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-H2O-H"	-19.01839
"70867"	487.966857333333	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M-3H"	-3.021828
"508239"	732.453924	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M-3H"	-3.021828
"882760"	243.479790666667	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-3H"	-3.021828
"10082"	732.453924	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M-2H"	-2.014552
"452558"	1099.184524	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M-2H"	-2.014552
"820884"	365.723324	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-2H"	-2.014552
"84154"	1465.915124	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M-H"	-1.007276
"523717"	2199.376324	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M-H"	-1.007276
"899328"	732.453924	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-H"	-1.007276
"51517"	1482.941671	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M-2H+NH4"	16.019271
"495451"	2216.402871	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M-2H+NH4"	16.019271
"867056"	749.480471	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-2H+NH4"	16.019271
"35686"	1487.897066	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M-2H+Na"	20.974666
"477437"	2221.358266	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M-2H+Na"	20.974666
"856337"	754.435866	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-2H+Na"	20.974666
"1625868"	754.435866	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Na-2H"	20.974666
"101304"	750.442263	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M-H+Cl"	33.962126
"543055"	1117.172863	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M-H+Cl"	33.962126
"936569"	383.711663	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-H+Cl"	33.962126
"275125"	1501.891802	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+Cl"	34.969402
"664264"	2235.353002	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+Cl"	34.969402
"1275575"	768.430602	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Cl"	34.969402
"22512"	1503.871006	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M-2H+K"	36.948606
"459884"	2237.332206	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M-2H+K"	36.948606
"833473"	770.409806	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-2H+K"	36.948606
"1557894"	770.409806	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+K-2H"	36.948606
"944681"	778.459394	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-H+HCOOH"	44.998194
"362248"	1511.920601	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+HCOOH-H"	44.998201
"345714"	1525.936251	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+Hac-H"	59.013851
"1492948"	792.475051	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Hac-H"	59.013851
"959873"	800.441351	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-H+NaCOOH"	66.980151
"113159"	768.430602	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+2Cl"	69.938804
"550896"	1135.161202	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+2Cl"	69.938804
"1029171"	401.700002	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2Cl"	69.938804
"1246564"	812.380085	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Br"	78.918885
"1305365"	814.436072	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Cl+HCOOH"	80.974872
"1321403"	836.418029	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Cl+NaCOOH"	102.956829
"913925"	846.446786	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M-H+CF3COOH"	112.985586
"1293187"	882.423464	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Cl+CF3COOH"	148.962264
"1370256"	698.448524	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H-2H2O"	-35.012676
"1392126"	716.4585	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H-H2O"	-17.0027
"286347"	1467.929676	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+H"	1.007276
"679862"	2201.390876	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+H"	1.007276
"1355118"	734.468476	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H"	1.007276
"138942"	734.468476	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+2H"	2.014552
"577407"	1101.199076	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+2H"	2.014552
"1048395"	367.737876	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2H"	2.014552
"215931"	489.981409333333	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+3H"	3.021828
"650390"	734.468476	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+3H"	3.021828
"1175076"	245.494342666667	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+3H"	3.021828
"432880"	1484.956223	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+NH4"	18.033823
"791688"	2218.417423	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+NH4"	18.033823
"1684006"	751.495023	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+NH4"	18.033823
"332655"	742.9817495	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+H+NH4"	19.041099
"726169"	1109.7123495	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+H+NH4"	19.041099
"1480716"	376.2511495	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H+NH4"	19.041099
"396848"	1489.911618	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+Na"	22.989218
"755778"	2223.372818	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+Na"	22.989218
"1604119"	756.450418	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Na"	22.989218
"318166"	745.459447	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+H+Na"	23.996494
"708765"	1112.190047	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+H+Na"	23.996494
"1465501"	378.728847	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H+Na"	23.996494
"1057654"	252.821656666667	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2H+Na"	25.00377
"1259332"	766.494686	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+CH3OH+H"	33.033486
"382280"	1505.885558	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+K"	38.963158
"743276"	2239.346758	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+K"	38.963158
"1545329"	772.424358	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+K"	38.963158
"301414"	753.446417	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+H+K"	39.970434
"694199"	1120.177017	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+H+K"	39.970434
"1448754"	386.715817	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H+K"	39.970434
"236375"	1508.956226	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+ACN+H"	42.033826
"1215162"	775.495026	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+ACN+H"	42.033826
"1207073"	388.251151	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+ACN+2H"	43.041102
"195569"	1511.89356	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+2Na-H"	44.97116
"632943"	2245.35476	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+2Na-H"	44.97116
"1135716"	778.43236	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2Na-H"	44.97116
"177915"	756.450418	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+2Na"	45.978436
"615286"	1123.181018	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+2Na"	45.978436
"1119523"	389.719818	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2Na"	45.978436
"1400495"	260.148970666667	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H+2Na"	46.985712
"1439538"	780.473946	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H+HCOOH"	47.012746
"225954"	761.48344	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+3H2O+2H"	56.04448
"1517297"	794.52599	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+IsoProp+H"	61.06479
"415894"	764.437388	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+Na+K"	61.952376
"773242"	1131.167988	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+Na+K"	61.952376
"1671034"	397.706788	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Na+K"	61.952376
"253907"	1530.938168	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+ACN+Na"	64.015768
"1230262"	797.476968	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+ACN+Na"	64.015768
"1715868"	797.500493	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+NH4+HCOOH"	64.039293
"1180127"	267.476284666667	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+3Na"	68.967654
"1653669"	802.455888	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Na+HCOOH"	68.994688
"160529"	1543.84144	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+2K-H"	76.91904
"603007"	2277.30264	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+2K-H"	76.91904
"1087525"	810.38024	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2K-H"	76.91904
"143369"	772.424358	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"2M+2K"	77.926316
"582077"	1139.154958	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"3M+2K"	77.926316
"1074612"	405.693758	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2K"	77.926316
"1106003"	812.394792	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2K+H"	78.933592
"1339106"	812.482407	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+DMSO+H"	79.021207
"1006782"	816.521576	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2ACN+H"	83.060376
"1525031"	817.515208	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+IsoProp+Na+H"	84.054008
"990181"	408.764426	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+2ACN+2H"	84.067652
"1589993"	818.429828	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+K+HCOOH"	84.968628
"1421119"	848.461338	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+H+CF3COOH"	115.000138
"1147438"	429.277701	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+3ACN+2H"	125.094202
"1707528"	865.487885	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+NH4+CF3COOH"	132.026685
"1646461"	870.44328	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+Na+CF3COOH"	136.98208
"1574457"	886.41722	"C01912"	"Erythromycin;Erythromycin A;Abomacetin"	"C37H67NO13"	"733.4612"	"M+K+CF3COOH"	152.95602
"808105"	211.9534	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M"	0
"979451"	192.93501	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-H2O-H"	-19.01839
"74257"	140.294990666667	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M-3H"	-3.021828
"509442"	210.946124	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M-3H"	-3.021828
"883963"	69.6438573333333	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-3H"	-3.021828
"10192"	210.946124	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M-2H"	-2.014552
"450845"	316.922824	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M-2H"	-2.014552
"819899"	104.969424	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-2H"	-2.014552
"80986"	422.899524	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M-H"	-1.007276
"520910"	634.852924	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M-H"	-1.007276
"897253"	210.946124	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-H"	-1.007276
"49561"	439.926071	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M-2H+NH4"	16.019271
"491189"	651.879471	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M-2H+NH4"	16.019271
"865220"	227.972671	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-2H+NH4"	16.019271
"33608"	444.881466	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M-2H+Na"	20.974666
"477545"	656.834866	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M-2H+Na"	20.974666
"857539"	232.928066	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-2H+Na"	20.974666
"1624884"	232.928066	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Na-2H"	20.974666
"100321"	228.934463	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M-H+Cl"	33.962126
"543164"	334.911163	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M-H+Cl"	33.962126
"936678"	122.957763	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-H+Cl"	33.962126
"279244"	458.876202	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+Cl"	34.969402
"666562"	670.829602	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+Cl"	34.969402
"1277872"	246.922802	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Cl"	34.969402
"16546"	460.855406	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M-2H+K"	36.948606
"457807"	672.808806	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M-2H+K"	36.948606
"833904"	248.902006	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-2H+K"	36.948606
"1559096"	248.902006	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+K-2H"	36.948606
"949164"	256.951594	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-H+HCOOH"	44.998194
"363006"	468.905001	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+HCOOH-H"	44.998201
"346399"	482.920651	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+Hac-H"	59.013851
"1494019"	270.967251	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Hac-H"	59.013851
"959498"	278.933551	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-H+NaCOOH"	66.980151
"111076"	246.922802	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+2Cl"	69.938804
"551369"	352.899502	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+2Cl"	69.938804
"1026002"	140.946102	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2Cl"	69.938804
"1242420"	290.872285	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Br"	78.918885
"1305476"	292.928272	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Cl+HCOOH"	80.974872
"1320542"	314.910229	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Cl+NaCOOH"	102.956829
"914398"	324.938986	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M-H+CF3COOH"	112.985586
"1296576"	360.915664	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Cl+CF3COOH"	148.962264
"1372552"	176.940724	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H-2H2O"	-35.012676
"1388956"	194.9507	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H-H2O"	-17.0027
"284391"	424.914076	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+H"	1.007276
"679972"	636.867476	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+H"	1.007276
"1355229"	212.960676	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H"	1.007276
"135773"	212.960676	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+2H"	2.014552
"574237"	318.937376	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+2H"	2.014552
"1045228"	106.983976	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2H"	2.014552
"216405"	142.309542666667	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+3H"	3.021828
"652686"	212.960676	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+3H"	3.021828
"1170812"	71.6584093333333	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+3H"	3.021828
"432990"	441.940623	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+NH4"	18.033823
"791797"	653.894023	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+NH4"	18.033823
"1683751"	229.987223	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+NH4"	18.033823
"333129"	221.4739495	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+H+NH4"	19.041099
"728832"	327.4506495	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+H+NH4"	19.041099
"1480829"	115.4972495	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H+NH4"	19.041099
"395864"	446.896018	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+Na"	22.989218
"756860"	658.849418	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+Na"	22.989218
"1604349"	234.942618	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Na"	22.989218
"316089"	223.951647	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+H+Na"	23.996494
"708633"	329.928347	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+H+Na"	23.996494
"1467799"	117.974947	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H+Na"	23.996494
"1056671"	78.9857233333333	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2H+Na"	25.00377
"1260536"	244.986886	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+CH3OH+H"	33.033486
"384578"	462.869958	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+K"	38.963158
"741199"	674.823358	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+K"	38.963158
"1544346"	250.916558	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+K"	38.963158
"302618"	231.938617	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+H+K"	39.970434
"697225"	337.915317	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+H+K"	39.970434
"1447771"	125.961917	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H+K"	39.970434
"237824"	465.940626	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+ACN+H"	42.033826
"1214543"	253.987226	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+ACN+H"	42.033826
"1200620"	127.497251	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+ACN+2H"	43.041102
"195679"	468.87796	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+2Na-H"	44.97116
"634146"	680.83136	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+2Na-H"	44.97116
"1137651"	256.92456	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2Na-H"	44.97116
"179848"	234.942618	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+2Na"	45.978436
"615761"	340.919318	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+2Na"	45.978436
"1120726"	128.965918	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2Na"	45.978436
"1400966"	86.3130373333333	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H+2Na"	46.985712
"1434182"	258.966146	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H+HCOOH"	47.012746
"226429"	239.97564	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+3H2O+2H"	56.04448
"1513398"	273.01819	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+IsoProp+H"	61.06479
"418191"	242.929588	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+Na+K"	61.952376
"771166"	348.906288	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+Na+K"	61.952376
"1669685"	136.952888	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Na+K"	61.952376
"254016"	487.922568	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+ACN+Na"	64.015768
"1229278"	275.969168	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+ACN+Na"	64.015768
"1714883"	275.992693	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+NH4+HCOOH"	64.039293
"1180237"	93.6403513333333	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+3Na"	68.967654
"1653411"	280.948088	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Na+HCOOH"	68.994688
"161367"	500.82584	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+2K-H"	76.91904
"602383"	712.77924	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+2K-H"	76.91904
"1086533"	288.87244	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2K-H"	76.91904
"143358"	250.916558	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"2M+2K"	77.926316
"584011"	356.893258	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"3M+2K"	77.926316
"1072897"	144.939858	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2K"	77.926316
"1109029"	290.886992	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2K+H"	78.933592
"1340309"	290.974607	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+DMSO+H"	79.021207
"1008107"	295.013776	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2ACN+H"	83.060376
"1526964"	296.007408	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+IsoProp+Na+H"	84.054008
"991346"	148.010526	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+2ACN+2H"	84.067652
"1590103"	296.922028	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+K+HCOOH"	84.968628
"1426696"	326.953538	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+H+CF3COOH"	115.000138
"1151517"	168.523801	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+3ACN+2H"	125.094202
"1707638"	343.980085	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+NH4+CF3COOH"	132.026685
"1646571"	348.93548	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+Na+CF3COOH"	136.98208
"1574567"	364.90942	"C01913"	"Ferrocyanide;Hexacyanoferrate(II)"	"C6FeN6"	"211.9534"	"M+K+CF3COOH"	152.95602
"808217"	468.2431	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M"	0
"983938"	449.22471	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-H2O-H"	-19.01839
"62865"	311.154790666667	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M-3H"	-3.021828
"503233"	467.235824	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M-3H"	-3.021828
"881157"	155.073757333333	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-3H"	-3.021828
"3741"	467.235824	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M-2H"	-2.014552
"440748"	701.357374	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M-2H"	-2.014552
"818186"	233.114274	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-2H"	-2.014552
"81095"	935.478924	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M-H"	-1.007276
"521019"	1403.722024	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M-H"	-1.007276
"897362"	467.235824	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-H"	-1.007276
"49914"	952.505471	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M-2H+NH4"	16.019271
"490204"	1420.748571	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M-2H+NH4"	16.019271
"868009"	484.262371	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-2H+NH4"	16.019271
"37006"	957.460866	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M-2H+Na"	20.974666
"480942"	1425.703966	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M-2H+Na"	20.974666
"852181"	489.217766	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-2H+Na"	20.974666
"1622441"	489.217766	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Na-2H"	20.974666
"98244"	485.224163	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M-H+Cl"	33.962126
"538529"	719.345713	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M-H+Cl"	33.962126
"931319"	251.102613	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-H+Cl"	33.962126
"269877"	971.455602	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+Cl"	34.969402
"663392"	1439.698702	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+Cl"	34.969402
"1279083"	503.212502	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Cl"	34.969402
"18479"	973.434806	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M-2H+K"	36.948606
"463384"	1441.677906	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M-2H+K"	36.948606
"834625"	505.191706	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-2H+K"	36.948606
"1555804"	505.191706	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+K-2H"	36.948606
"943809"	513.241294	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-H+HCOOH"	44.998194
"362389"	981.484401	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+HCOOH-H"	44.998201
"345909"	995.500051	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+Hac-H"	59.013851
"1493280"	527.256951	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Hac-H"	59.013851
"959002"	535.223251	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-H+NaCOOH"	66.980151
"110457"	503.212502	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+2Cl"	69.938804
"551842"	737.334052	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+2Cl"	69.938804
"1023199"	269.090952	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2Cl"	69.938804
"1246788"	547.161985	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Br"	78.918885
"1305100"	549.217972	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Cl+HCOOH"	80.974872
"1324547"	571.199929	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Cl+NaCOOH"	102.956829
"916699"	581.228686	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M-H+CF3COOH"	112.985586
"1291218"	617.205364	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Cl+CF3COOH"	148.962264
"1368652"	433.230424	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H-2H2O"	-35.012676
"1385784"	451.2404	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H-H2O"	-17.0027
"286563"	937.493476	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+H"	1.007276
"683360"	1405.736576	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+H"	1.007276
"1356430"	469.250376	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H"	1.007276
"135882"	469.250376	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+2H"	2.014552
"576535"	703.371926	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+2H"	2.014552
"1047522"	235.128826	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2H"	2.014552
"216515"	313.169342666667	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+3H"	3.021828
"652796"	469.250376	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+3H"	3.021828
"1172016"	157.088309333333	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+3H"	3.021828
"432007"	954.520023	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+NH4"	18.033823
"791907"	1422.763123	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+NH4"	18.033823
"1684594"	486.276923	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+NH4"	18.033823
"335427"	477.7636495	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+H+NH4"	19.041099
"728942"	711.8851995	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+H+NH4"	19.041099
"1479482"	243.6420995	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H+NH4"	19.041099
"395975"	959.475418	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+Na"	22.989218
"760251"	1427.718518	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+Na"	22.989218
"1610538"	491.232318	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Na"	22.989218
"322762"	480.241347	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+H+Na"	23.996494
"716276"	714.362897	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+H+Na"	23.996494
"1463538"	246.119797	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H+Na"	23.996494
"1061155"	164.415623333333	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2H+Na"	25.00377
"1259556"	501.276586	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+CH3OH+H"	33.033486
"381407"	975.449358	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+K"	38.963158
"742403"	1443.692458	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+K"	38.963158
"1540243"	507.206258	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+K"	38.963158
"302726"	488.228317	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+H+K"	39.970434
"698432"	722.349867	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+H+K"	39.970434
"1447510"	254.106767	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H+K"	39.970434
"236480"	978.520026	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+ACN+H"	42.033826
"1219036"	510.276926	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+ACN+H"	42.033826
"1200733"	255.642101	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+ACN+2H"	43.041102
"199072"	981.45736	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+2Na-H"	44.97116
"638631"	1449.70046	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+2Na-H"	44.97116
"1136669"	513.21426	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2Na-H"	44.97116
"177771"	491.232318	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+2Na"	45.978436
"620612"	725.353868	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+2Na"	45.978436
"1120838"	257.110768	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2Na"	45.978436
"1400958"	171.742937333333	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H+2Na"	46.985712
"1433199"	515.255846	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H+HCOOH"	47.012746
"228364"	496.26534	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+3H2O+2H"	56.04448
"1516428"	529.30789	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+IsoProp+H"	61.06479
"413198"	499.219288	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+Na+K"	61.952376
"773099"	733.340838	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+Na+K"	61.952376
"1670527"	265.097738	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Na+K"	61.952376
"257775"	1000.501968	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+ACN+Na"	64.015768
"1230484"	532.258868	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+ACN+Na"	64.015768
"1713047"	532.282393	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+NH4+HCOOH"	64.039293
"1181805"	179.070251333333	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+3Na"	68.967654
"1650726"	537.237788	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Na+HCOOH"	68.994688
"160383"	1013.40524	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+2K-H"	76.91904
"599216"	1481.64834	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+2K-H"	76.91904
"1088839"	545.16214	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2K-H"	76.91904
"145656"	507.206258	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"2M+2K"	77.926316
"587404"	741.327808	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"3M+2K"	77.926316
"1074106"	273.084708	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2K"	77.926316
"1101968"	547.176692	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2K+H"	78.933592
"1342607"	547.264307	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+DMSO+H"	79.021207
"1008949"	551.303476	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2ACN+H"	83.060376
"1529260"	552.297108	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+IsoProp+Na+H"	84.054008
"991211"	276.155376	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+2ACN+2H"	84.067652
"1588269"	553.211728	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+K+HCOOH"	84.968628
"1415878"	583.243238	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+H+CF3COOH"	115.000138
"1154918"	296.668651	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+3ACN+2H"	125.094202
"1702281"	600.269785	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+NH4+CF3COOH"	132.026685
"1640120"	605.22518	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+Na+CF3COOH"	136.98208
"1574677"	621.19912	"C01917"	"Gentamicin A"	"C18H36N4O10"	"468.2431"	"M+K+CF3COOH"	152.95602
"810515"	917.2197	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M"	0
"989396"	898.20131	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H2O-H"	-19.01839
"74477"	610.472524	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-3H"	-3.021828
"511850"	916.212424	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-3H"	-3.021828
"890744"	304.732624	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-3H"	-3.021828
"2758"	916.212424	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H"	-2.014552
"442320"	1374.822274	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H"	-2.014552
"819028"	457.602574	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H"	-2.014552
"83391"	1833.432124	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H"	-1.007276
"522951"	2750.651824	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H"	-1.007276
"901846"	916.212424	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H"	-1.007276
"55129"	1850.458671	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+NH4"	16.019271
"492501"	2767.678371	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+NH4"	16.019271
"871398"	933.238971	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+NH4"	16.019271
"38209"	1855.414066	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+Na"	20.974666
"479959"	2772.633766	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+Na"	20.974666
"856665"	938.194366	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+Na"	20.974666
"1624012"	938.194366	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na-2H"	20.974666
"103825"	934.200763	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H+Cl"	33.962126
"544478"	1392.810613	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H+Cl"	33.962126
"937992"	475.590913	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+Cl"	33.962126
"273267"	1869.408802	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Cl"	34.969402
"668975"	2786.628502	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Cl"	34.969402
"1279194"	952.189102	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl"	34.969402
"19563"	1871.388006	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+K"	36.948606
"456082"	2788.607706	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+K"	36.948606
"834736"	954.168306	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+K"	36.948606
"1556036"	954.168306	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K-2H"	36.948606
"943230"	962.217894	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+HCOOH"	44.998194
"361766"	1879.437601	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+HCOOH-H"	44.998201
"349303"	1893.453251	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Hac-H"	59.013851
"1493270"	976.233551	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Hac-H"	59.013851
"963488"	984.199851	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+NaCOOH"	66.980151
"110937"	952.189102	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Cl"	69.938804
"551956"	1410.798952	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Cl"	69.938804
"1024402"	493.579252	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Cl"	69.938804
"1250181"	996.138585	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Br"	78.918885
"1309349"	998.194572	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+HCOOH"	80.974872
"1324656"	1020.176529	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+NaCOOH"	102.956829
"916810"	1030.205286	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+CF3COOH"	112.985586
"1292425"	1066.181964	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+CF3COOH"	148.962264
"1373866"	882.207024	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-2H2O"	-35.012676
"1385896"	900.217	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-H2O"	-17.0027
"286676"	1835.446676	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H"	1.007276
"685658"	2752.666376	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H"	1.007276
"1354356"	918.226976	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H"	1.007276
"137085"	918.226976	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2H"	2.014552
"569357"	1376.836826	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2H"	2.014552
"1047633"	459.617126	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H"	2.014552
"212253"	612.487076	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H"	3.021828
"654000"	918.226976	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+3H"	3.021828
"1169940"	306.747176	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3H"	3.021828
"433211"	1852.473223	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+NH4"	18.033823
"793117"	2769.692923	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+NH4"	18.033823
"1685434"	935.253523	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4"	18.033823
"332254"	926.7402495	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+NH4"	19.041099
"725037"	1385.3500995	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+NH4"	19.041099
"1481048"	468.1303995	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+NH4"	19.041099
"395355"	1857.428618	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na"	22.989218
"759267"	2774.648318	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na"	22.989218
"1608460"	940.208918	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na"	22.989218
"322869"	929.217947	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+Na"	23.996494
"713107"	1387.827797	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+Na"	23.996494
"1464739"	470.608097	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+Na"	23.996494
"1054704"	314.07449	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H+Na"	25.00377
"1258568"	950.253186	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+CH3OH+H"	33.033486
"382611"	1873.402558	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+K"	38.963158
"740326"	2790.622258	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+K"	38.963158
"1542382"	956.182858	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K"	38.963158
"302839"	937.204917	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+K"	39.970434
"695259"	1395.814767	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+K"	39.970434
"1448714"	478.595067	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+K"	39.970434
"238779"	1876.473226	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+H"	42.033826
"1216959"	959.253526	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+H"	42.033826
"1200843"	480.130401	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+2H"	43.041102
"193713"	1879.41056	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na-H"	44.97116
"634366"	2796.63026	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na-H"	44.97116
"1138964"	962.19086	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na-H"	44.97116
"177881"	940.208918	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na"	45.978436
"620722"	1398.818768	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na"	45.978436
"1120219"	481.599068	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na"	45.978436
"1403379"	321.401804	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+2Na"	46.985712
"1442061"	964.232446	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+HCOOH"	47.012746
"224830"	945.24194	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H2O+2H"	56.04448
"1511798"	978.28449	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+H"	61.06479
"411119"	948.195888	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na+K"	61.952376
"773208"	1406.805738	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na+K"	61.952376
"1665685"	489.586038	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+K"	61.952376
"254236"	1898.455168	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+Na"	64.015768
"1229134"	981.235468	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+Na"	64.015768
"1713158"	981.258993	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+HCOOH"	64.039293
"1183010"	328.729118	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3Na"	68.967654
"1650227"	986.214388	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+HCOOH"	68.994688
"157576"	1911.35844	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K-H"	76.91904
"597744"	2828.57814	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K-H"	76.91904
"1091501"	994.13874	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K-H"	76.91904
"146859"	956.182858	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K"	77.926316
"589703"	1414.792708	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K"	77.926316
"1075309"	497.573008	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K"	77.926316
"1103051"	996.153292	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K+H"	78.933592
"1343810"	996.240907	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+DMSO+H"	79.021207
"1014527"	1000.280076	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+H"	83.060376
"1529372"	1001.273708	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+Na+H"	84.054008
"995821"	500.643676	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+2H"	84.067652
"1588866"	1002.188328	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+HCOOH"	84.968628
"1418168"	1032.219838	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+CF3COOH"	115.000138
"1155028"	521.156951	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3ACN+2H"	125.094202
"1702391"	1049.246385	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+CF3COOH"	132.026685
"1640230"	1054.20178	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+CF3COOH"	136.98208
"1574787"	1070.17572	"C01920"	"Geranoyl-CoA;cis-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+CF3COOH"	152.95602
"810625"	465.309	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M"	0
"987439"	446.29061	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-H2O-H"	-19.01839
"70214"	309.198724	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M-3H"	-3.021828
"510867"	464.301724	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M-3H"	-3.021828
"884294"	154.095724	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-3H"	-3.021828
"1775"	464.301724	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M-2H"	-2.014552
"441458"	696.956224	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M-2H"	-2.014552
"822418"	231.647224	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-2H"	-2.014552
"84594"	929.610724	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M-H"	-1.007276
"523061"	1394.919724	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M-H"	-1.007276
"900862"	464.301724	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-H"	-1.007276
"51594"	946.637271	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M-2H+NH4"	16.019271
"495892"	1411.946271	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M-2H+NH4"	16.019271
"872601"	481.328271	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-2H+NH4"	16.019271
"36496"	951.592666	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M-2H+Na"	20.974666
"477882"	1416.901666	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M-2H+Na"	20.974666
"853859"	486.283666	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-2H+Na"	20.974666
"1622300"	486.283666	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Na-2H"	20.974666
"105029"	482.290063	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M-H+Cl"	33.962126
"543494"	714.944563	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M-H+Cl"	33.962126
"933729"	249.635563	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-H+Cl"	33.962126
"275567"	965.587402	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+Cl"	34.969402
"662524"	1430.896402	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+Cl"	34.969402
"1276023"	500.278402	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Cl"	34.969402
"19673"	967.566606	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M-2H+K"	36.948606
"457045"	1432.875606	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M-2H+K"	36.948606
"841407"	502.257606	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-2H+K"	36.948606
"1561615"	502.257606	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+K-2H"	36.948606
"943303"	510.307194	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-H+HCOOH"	44.998194
"365527"	975.616201	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+HCOOH-H"	44.998201
"346131"	989.631851	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+Hac-H"	59.013851
"1493869"	524.322851	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Hac-H"	59.013851
"964692"	532.289151	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-H+NaCOOH"	66.980151
"112140"	500.278402	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+2Cl"	69.938804
"552429"	732.932902	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+2Cl"	69.938804
"1024148"	267.623902	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2Cl"	69.938804
"1250291"	544.227885	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Br"	78.918885
"1309459"	546.283872	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Cl+HCOOH"	80.974872
"1324766"	568.265829	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Cl+NaCOOH"	102.956829
"915827"	578.294586	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M-H+CF3COOH"	112.985586
"1293628"	614.271264	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Cl+CF3COOH"	148.962264
"1373977"	430.296324	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H-2H2O"	-35.012676
"1389286"	448.3063	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H-H2O"	-17.0027
"288973"	931.625276	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+H"	1.007276
"680303"	1396.934276	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+H"	1.007276
"1363214"	466.316276	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H"	1.007276
"139019"	466.316276	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+2H"	2.014552
"576757"	698.970776	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+2H"	2.014552
"1048837"	233.661776	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2H"	2.014552
"215643"	311.213276	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+3H"	3.021828
"651923"	466.316276	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+3H"	3.021828
"1170050"	156.110276	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+3H"	3.021828
"434415"	948.651823	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+NH4"	18.033823
"793223"	1413.960823	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+NH4"	18.033823
"1693930"	483.342823	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+NH4"	18.033823
"337837"	474.8295495	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+H+NH4"	19.041099
"728069"	707.4840495	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+H+NH4"	19.041099
"1482982"	242.1750495	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H+NH4"	19.041099
"404942"	953.607218	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+Na"	22.989218
"759377"	1418.916218	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+Na"	22.989218
"1610757"	488.298218	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Na"	22.989218
"322982"	477.307247	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+H+Na"	23.996494
"713216"	709.961747	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+H+Na"	23.996494
"1465943"	244.652747	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H+Na"	23.996494
"1058098"	163.43759	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2H+Na"	25.00377
"1263057"	498.342486	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+CH3OH+H"	33.033486
"383818"	969.581158	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+K"	38.963158
"741896"	1434.890158	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+K"	38.963158
"1542494"	504.272158	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+K"	38.963158
"308418"	485.294217	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+H+K"	39.970434
"700843"	717.948717	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+H+K"	39.970434
"1450287"	252.639717	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H+K"	39.970434
"243264"	972.651826	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+ACN+H"	42.033826
"1217069"	507.342826	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+ACN+H"	42.033826
"1200952"	254.175051	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+ACN+2H"	43.041102
"197102"	975.58916	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+2Na-H"	44.97116
"636662"	1440.89816	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+2Na-H"	44.97116
"1139074"	510.28016	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2Na-H"	44.97116
"181272"	488.298218	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+2Na"	45.978436
"621925"	720.952718	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+2Na"	45.978436
"1121059"	255.643718	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2Na"	45.978436
"1406771"	170.764904	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H+2Na"	46.985712
"1441078"	512.321746	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H+HCOOH"	47.012746
"225669"	493.33124	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+3H2O+2H"	56.04448
"1513732"	526.37379	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+IsoProp+H"	61.06479
"411958"	496.285188	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+Na+K"	61.952376
"774777"	728.939688	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+Na+K"	61.952376
"1670743"	263.630688	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Na+K"	61.952376
"256534"	994.633768	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+ACN+Na"	64.015768
"1228517"	529.324768	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+ACN+Na"	64.015768
"1714485"	529.348293	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+NH4+HCOOH"	64.039293
"1183486"	178.092218	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+3Na"	68.967654
"1654106"	534.303688	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Na+HCOOH"	68.994688
"160968"	1007.53704	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+2K-H"	76.91904
"598098"	1472.84604	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+2K-H"	76.91904
"1087965"	542.22804	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2K-H"	76.91904
"141816"	504.272158	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"2M+2K"	77.926316
"592000"	736.926658	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"3M+2K"	77.926316
"1069100"	271.617658	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2K"	77.926316
"1106441"	544.242592	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2K+H"	78.933592
"1335734"	544.330207	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+DMSO+H"	79.021207
"1006249"	548.369376	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2ACN+H"	83.060376
"1526200"	549.363008	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+IsoProp+Na+H"	84.054008
"993742"	274.688326	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+2ACN+2H"	84.067652
"1588976"	550.277628	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+K+HCOOH"	84.968628
"1416092"	580.309138	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+H+CF3COOH"	115.000138
"1158419"	295.201601	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+3ACN+2H"	125.094202
"1705781"	597.335685	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+NH4+CF3COOH"	132.026685
"1640339"	602.29108	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+Na+CF3COOH"	136.98208
"1571980"	618.26502	"C01921"	"Glycocholate;Glycocholic acid;3alpha7alpha12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO6"	"465.309"	"M+K+CF3COOH"	152.95602
"807455"	188.1273	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M"	0
"984268"	169.10891	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-H2O-H"	-19.01839
"68136"	124.410924	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M-3H"	-3.021828
"506602"	187.120024	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M-3H"	-3.021828
"883313"	61.701824	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-3H"	-3.021828
"2978"	187.120024	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M-2H"	-2.014552
"443631"	281.183674	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M-2H"	-2.014552
"822525"	93.056374	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-2H"	-2.014552
"84706"	375.247324	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M-H"	-1.007276
"524264"	563.374624	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M-H"	-1.007276
"903159"	187.120024	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-H"	-1.007276
"53890"	392.273871	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M-2H+NH4"	16.019271
"494910"	580.401171	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M-2H+NH4"	16.019271
"872710"	204.146571	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-2H+NH4"	16.019271
"38428"	397.229266	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M-2H+Na"	20.974666
"477990"	585.356566	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M-2H+Na"	20.974666
"856887"	209.101966	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-2H+Na"	20.974666
"1624232"	209.101966	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Na-2H"	20.974666
"99667"	205.108363	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M-H+Cl"	33.962126
"540324"	299.172013	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M-H+Cl"	33.962126
"929466"	111.044713	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-H+Cl"	33.962126
"268019"	411.224002	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+Cl"	34.969402
"660804"	599.351302	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+Cl"	34.969402
"1273208"	223.096702	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Cl"	34.969402
"15874"	413.203206	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M-2H+K"	36.948606
"456098"	601.330506	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M-2H+K"	36.948606
"834957"	225.075906	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-2H+K"	36.948606
"1557714"	225.075906	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+K-2H"	36.948606
"945235"	233.125494	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-H+HCOOH"	44.998194
"361992"	421.252801	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+HCOOH-H"	44.998201
"348429"	435.268451	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+Hac-H"	59.013851
"1495437"	247.141151	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Hac-H"	59.013851
"962615"	255.107451	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-H+NaCOOH"	66.980151
"112247"	223.096702	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+2Cl"	69.938804
"551083"	317.160352	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+2Cl"	69.938804
"1024259"	129.033052	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2Cl"	69.938804
"1247120"	267.046185	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Br"	78.918885
"1305557"	269.102172	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Cl+HCOOH"	80.974872
"1323784"	291.084129	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Cl+NaCOOH"	102.956829
"918123"	301.112886	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M-H+CF3COOH"	112.985586
"1297017"	337.089564	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Cl+CF3COOH"	148.962264
"1374085"	153.114624	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H-2H2O"	-35.012676
"1387211"	171.1246	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H-H2O"	-17.0027
"293461"	377.261876	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+H"	1.007276
"683694"	565.389176	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+H"	1.007276
"1364784"	189.134576	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H"	1.007276
"139131"	189.134576	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+2H"	2.014552
"580147"	283.198226	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+2H"	2.014552
"1047856"	95.070926	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2H"	2.014552
"218307"	126.425476	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+3H"	3.021828
"658231"	189.134576	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+3H"	3.021828
"1174533"	63.716376	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+3H"	3.021828
"428327"	394.288423	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+NH4"	18.033823
"800143"	582.415723	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+NH4"	18.033823
"1690759"	206.161123	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+NH4"	18.033823
"342317"	197.6478495	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+H+NH4"	19.041099
"724168"	291.7114995	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+H+NH4"	19.041099
"1485279"	103.5841995	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H+NH4"	19.041099
"400679"	399.243818	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+Na"	22.989218
"759489"	587.371118	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+Na"	22.989218
"1609774"	211.116518	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Na"	22.989218
"319812"	200.125547	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+H+Na"	23.996494
"715516"	294.189197	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+H+Na"	23.996494
"1470428"	106.061897	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H+Na"	23.996494
"1056022"	71.04369	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2H+Na"	25.00377
"1259887"	221.160786	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+CH3OH+H"	33.033486
"387209"	415.217758	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+K"	38.963158
"741645"	603.345058	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+K"	38.963158
"1544790"	227.090458	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+K"	38.963158
"304152"	208.112517	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+H+K"	39.970434
"698763"	302.176167	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+H+K"	39.970434
"1453679"	114.048867	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H+K"	39.970434
"244468"	418.288426	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+ACN+H"	42.033826
"1220457"	230.161126	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+ACN+H"	42.033826
"1203248"	115.584201	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+ACN+2H"	43.041102
"200493"	421.22576	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+2Na-H"	44.97116
"638961"	609.35306	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+2Na-H"	44.97116
"1138093"	233.09846	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2Na-H"	44.97116
"183569"	211.116518	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+2Na"	45.978436
"622038"	305.180168	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+2Na"	45.978436
"1123356"	117.052868	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2Na"	45.978436
"1403965"	78.371004	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H+2Na"	46.985712
"1434261"	235.140046	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H+HCOOH"	47.012746
"225050"	216.14954	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+3H2O+2H"	56.04448
"1513110"	249.19209	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+IsoProp+H"	61.06479
"412436"	219.103488	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+Na+K"	61.952376
"773066"	313.167138	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+Na+K"	61.952376
"1667939"	125.039838	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Na+K"	61.952376
"254823"	440.270368	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+ACN+Na"	64.015768
"1227532"	252.143068	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+ACN+Na"	64.015768
"1714231"	252.166593	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+NH4+HCOOH"	64.039293
"1184326"	85.698318	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+3Na"	68.967654
"1653488"	257.121988	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Na+HCOOH"	68.994688
"157797"	453.17364	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+2K-H"	76.91904
"597361"	641.30094	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+2K-H"	76.91904
"1084416"	265.04634	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2K-H"	76.91904
"156082"	227.090458	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"2M+2K"	77.926316
"595028"	321.154108	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"3M+2K"	77.926316
"1075529"	133.026808	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2K"	77.926316
"1103271"	267.060892	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2K+H"	78.933592
"1337222"	267.148507	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+DMSO+H"	79.021207
"1006479"	271.187676	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2ACN+H"	83.060376
"1524643"	272.181308	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+IsoProp+Na+H"	84.054008
"997138"	136.097476	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+2ACN+2H"	84.067652
"1591641"	273.095928	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+K+HCOOH"	84.968628
"1418396"	303.127438	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+H+CF3COOH"	115.000138
"1155246"	156.610751	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+3ACN+2H"	125.094202
"1702611"	320.153985	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+NH4+CF3COOH"	132.026685
"1637168"	325.10938	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+Na+CF3COOH"	136.98208
"1572457"	341.08332	"C01924"	"Homoarginine;L-Homoarginine"	"C7H16N4O2"	"188.1273"	"M+K+CF3COOH"	152.95602
"807565"	527.2326	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M"	0
"978910"	508.21421	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-H2O-H"	-19.01839
"68246"	350.481124	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M-3H"	-3.021828
"506712"	526.225324	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M-3H"	-3.021828
"883787"	174.736924	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-3H"	-3.021828
"3087"	526.225324	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M-2H"	-2.014552
"445198"	789.841624	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M-2H"	-2.014552
"819355"	262.609024	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-2H"	-2.014552
"84087"	1053.457924	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M-H"	-1.007276
"525468"	1580.690524	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M-H"	-1.007276
"902177"	526.225324	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-H"	-1.007276
"52181"	1070.484471	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M-2H+NH4"	16.019271
"493197"	1597.717071	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M-2H+NH4"	16.019271
"871728"	543.251871	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-2H+NH4"	16.019271
"39632"	1075.439866	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M-2H+Na"	20.974666
"481380"	1602.672466	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M-2H+Na"	20.974666
"856997"	548.207266	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-2H+Na"	20.974666
"1625435"	548.207266	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Na-2H"	20.974666
"100871"	544.213663	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M-H+Cl"	33.962126
"541527"	807.829963	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M-H+Cl"	33.962126
"935043"	280.597363	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-H+Cl"	33.962126
"268858"	1089.434602	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+Cl"	34.969402
"661645"	1616.667202	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+Cl"	34.969402
"1274659"	562.202002	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Cl"	34.969402
"16081"	1091.413806	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M-2H+K"	36.948606
"458359"	1618.646406	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M-2H+K"	36.948606
"835067"	564.181206	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-2H+K"	36.948606
"1557459"	564.181206	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+K-2H"	36.948606
"944980"	572.230794	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-H+HCOOH"	44.998194
"364288"	1099.463401	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+HCOOH-H"	44.998201
"349267"	1113.479051	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+Hac-H"	59.013851
"1498098"	586.246451	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Hac-H"	59.013851
"963089"	594.212751	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-H+NaCOOH"	66.980151
"112722"	562.202002	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+2Cl"	69.938804
"552285"	825.818302	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+2Cl"	69.938804
"1027648"	298.585702	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2Cl"	69.938804
"1247229"	606.151485	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Br"	78.918885
"1306760"	608.207472	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Cl+HCOOH"	80.974872
"1324987"	630.189429	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Cl+NaCOOH"	102.956829
"919329"	640.218186	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M-H+CF3COOH"	112.985586
"1294213"	676.194864	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Cl+CF3COOH"	148.962264
"1373105"	492.219924	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H-2H2O"	-35.012676
"1385500"	510.2299	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H-H2O"	-17.0027
"294664"	1055.472476	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+H"	1.007276
"684897"	1582.705076	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+H"	1.007276
"1362342"	528.239876	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H"	1.007276
"138512"	528.239876	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+2H"	2.014552
"578071"	791.856176	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+2H"	2.014552
"1049059"	264.623576	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2H"	2.014552
"217686"	352.495676	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+3H"	3.021828
"654331"	528.239876	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+3H"	3.021828
"1171363"	176.751476	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+3H"	3.021828
"430624"	1072.499023	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+NH4"	18.033823
"795634"	1599.731623	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+NH4"	18.033823
"1689776"	545.266423	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+NH4"	18.033823
"339149"	536.7531495	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+H+NH4"	19.041099
"727560"	800.3694495	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+H+NH4"	19.041099
"1479922"	273.1368495	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H+NH4"	19.041099
"398602"	1077.454418	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+Na"	22.989218
"760694"	1604.687018	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+Na"	22.989218
"1605875"	550.221818	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Na"	22.989218
"323203"	539.230847	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+H+Na"	23.996494
"718906"	802.847147	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+H+Na"	23.996494
"1467258"	275.614547	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H+Na"	23.996494
"1060505"	184.07879	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2H+Na"	25.00377
"1264371"	560.266086	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+CH3OH+H"	33.033486
"385132"	1093.428358	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+K"	38.963158
"746128"	1620.660958	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+K"	38.963158
"1543807"	566.195758	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+K"	38.963158
"308638"	547.217817	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+H+K"	39.970434
"699968"	810.834117	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+H+K"	39.970434
"1458894"	283.601517	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H+K"	39.970434
"246766"	1096.499026	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+ACN+H"	42.033826
"1222391"	569.266426	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+ACN+H"	42.033826
"1208826"	285.136851	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+ACN+2H"	43.041102
"203762"	1099.43636	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+2Na-H"	44.97116
"641257"	1626.66896	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+2Na-H"	44.97116
"1144399"	572.20376	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2Na-H"	44.97116
"187691"	550.221818	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+2Na"	45.978436
"625428"	813.838118	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+2Na"	45.978436
"1125652"	286.605518	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2Na"	45.978436
"1406990"	191.406104	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H+2Na"	46.985712
"1432914"	574.245346	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H+HCOOH"	47.012746
"222974"	555.25484	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+3H2O+2H"	56.04448
"1510671"	588.29739	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+IsoProp+H"	61.06479
"412542"	558.208788	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+Na+K"	61.952376
"772204"	821.825088	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+Na+K"	61.952376
"1668047"	294.592488	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Na+K"	61.952376
"255662"	1118.480968	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+ACN+Na"	64.015768
"1226912"	591.248368	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+ACN+Na"	64.015768
"1714342"	591.271893	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+NH4+HCOOH"	64.039293
"1182978"	198.733418	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+3Na"	68.967654
"1654691"	596.227288	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Na+HCOOH"	68.994688
"158146"	1131.38424	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+2K-H"	76.91904
"597713"	1658.61684	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+2K-H"	76.91904
"1084774"	604.15164	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2K-H"	76.91904
"151569"	566.195758	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"2M+2K"	77.926316
"593315"	829.812058	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"3M+2K"	77.926316
"1070172"	302.579458	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2K"	77.926316
"1100705"	606.166192	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2K+H"	78.933592
"1335864"	606.253807	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+DMSO+H"	79.021207
"1006098"	610.292976	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2ACN+H"	83.060376
"1524707"	611.286608	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+IsoProp+Na+H"	84.054008
"999435"	305.650126	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+2ACN+2H"	84.067652
"1591751"	612.201228	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+K+HCOOH"	84.968628
"1418506"	642.232738	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+H+CF3COOH"	115.000138
"1152076"	326.163401	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+3ACN+2H"	125.094202
"1699441"	659.259285	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+NH4+CF3COOH"	132.026685
"1635091"	664.21468	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+Na+CF3COOH"	136.98208
"1572203"	680.18862	"C01925"	"Hygromycin B;Antibiotic A-396-II"	"C20H37N3O13"	"527.2326"	"M+K+CF3COOH"	152.95602
"814238"	357.0768	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M"	0
"985583"	338.05841	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-H2O-H"	-19.01839
"74922"	237.043924	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M-3H"	-3.021828
"514479"	356.069524	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M-3H"	-3.021828
"881100"	118.018324	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-3H"	-3.021828
"1501"	356.069524	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M-2H"	-2.014552
"441669"	534.607924	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M-2H"	-2.014552
"819467"	177.531124	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-2H"	-2.014552
"81649"	713.146324	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M-H"	-1.007276
"524486"	1070.223124	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M-H"	-1.007276
"899010"	356.069524	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-H"	-1.007276
"50472"	730.172871	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M-2H+NH4"	16.019271
"496230"	1087.249671	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M-2H+NH4"	16.019271
"874033"	373.096071	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-2H+NH4"	16.019271
"39745"	735.128266	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M-2H+Na"	20.974666
"476389"	1092.205066	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M-2H+Na"	20.974666
"859293"	378.051466	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-2H+Na"	20.974666
"1626640"	378.051466	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Na-2H"	20.974666
"102076"	374.057863	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M-H+Cl"	33.962126
"541636"	552.596263	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M-H+Cl"	33.962126
"931140"	195.519463	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-H+Cl"	33.962126
"271163"	749.123002	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+Cl"	34.969402
"661637"	1106.199802	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+Cl"	34.969402
"1274769"	392.046202	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Cl"	34.969402
"17079"	751.102206	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M-2H+K"	36.948606
"457367"	1108.179006	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M-2H+K"	36.948606
"834200"	394.025406	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-2H+K"	36.948606
"1556714"	394.025406	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+K-2H"	36.948606
"943261"	402.074994	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-H+HCOOH"	44.998194
"362942"	759.151801	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+HCOOH-H"	44.998201
"347552"	773.167451	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+Hac-H"	59.013851
"1498209"	416.090651	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Hac-H"	59.013851
"962104"	424.056951	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-H+NaCOOH"	66.980151
"113204"	392.046202	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+2Cl"	69.938804
"553495"	570.584602	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+2Cl"	69.938804
"1036512"	213.507802	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2Cl"	69.938804
"1252811"	435.995685	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Br"	78.918885
"1308698"	438.051672	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Cl+HCOOH"	80.974872
"1323276"	460.033629	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Cl+NaCOOH"	102.956829
"915063"	470.062386	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M-H+CF3COOH"	112.985586
"1289946"	506.039064	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Cl+CF3COOH"	148.962264
"1369565"	322.064124	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H-2H2O"	-35.012676
"1386335"	340.0741	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H-H2O"	-17.0027
"292581"	715.160876	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+H"	1.007276
"683911"	1072.237676	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+H"	1.007276
"1356980"	358.084076	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H"	1.007276
"132058"	358.084076	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+2H"	2.014552
"572713"	536.622476	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+2H"	2.014552
"1044793"	179.545676	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2H"	2.014552
"207591"	239.058476	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+3H"	3.021828
"650069"	358.084076	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+3H"	3.021828
"1170380"	120.032876	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+3H"	3.021828
"433655"	732.187423	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+NH4"	18.033823
"793557"	1089.264223	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+NH4"	18.033823
"1690980"	375.110623	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+NH4"	18.033823
"335978"	366.5973495	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+H+NH4"	19.041099
"727305"	545.1357495	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+H+NH4"	19.041099
"1481126"	188.0589495	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H+NH4"	19.041099
"396525"	737.142818	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+Na"	22.989218
"758613"	1094.219618	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+Na"	22.989218
"1605621"	380.066018	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Na"	22.989218
"321125"	369.075047	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+H+Na"	23.996494
"712454"	547.613447	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+H+Na"	23.996494
"1462995"	190.536647	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H+Na"	23.996494
"1060614"	127.36019	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2H+Na"	25.00377
"1265574"	390.110286	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+CH3OH+H"	33.033486
"380867"	753.116758	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+K"	38.963158
"744048"	1110.193558	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+K"	38.963158
"1550115"	396.039958	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+K"	38.963158
"307657"	377.062017	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+H+K"	39.970434
"698985"	555.600417	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+H+K"	39.970434
"1452807"	198.523617	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H+K"	39.970434
"244688"	756.187426	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+ACN+H"	42.033826
"1219586"	399.110626	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+ACN+H"	42.033826
"1202377"	200.058951	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+ACN+2H"	43.041102
"199622"	759.12476	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+2Na-H"	44.97116
"638087"	1116.20156	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+2Na-H"	44.97116
"1140501"	402.04796	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2Na-H"	44.97116
"184883"	380.066018	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+2Na"	45.978436
"623714"	558.604418	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+2Na"	45.978436
"1125764"	201.527618	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2Na"	45.978436
"1410385"	134.687504	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H+2Na"	46.985712
"1434847"	404.089546	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H+HCOOH"	47.012746
"224539"	385.09904	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+3H2O+2H"	56.04448
"1511874"	418.14159	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+IsoProp+H"	61.06479
"411196"	388.052988	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+Na+K"	61.952376
"771460"	566.591388	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+Na+K"	61.952376
"1669981"	209.514588	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Na+K"	61.952376
"255406"	778.169368	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+ACN+Na"	64.015768
"1229208"	421.092568	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+ACN+Na"	64.015768
"1714815"	421.116093	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+NH4+HCOOH"	64.039293
"1181992"	142.014818	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+3Na"	68.967654
"1658456"	426.071488	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Na+HCOOH"	68.994688
"165320"	791.07264	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+2K-H"	76.91904
"605972"	1148.14944	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+2K-H"	76.91904
"1085136"	433.99584	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2K-H"	76.91904
"149492"	396.039958	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"2M+2K"	77.926316
"591239"	574.578358	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"3M+2K"	77.926316
"1075750"	217.501558	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2K"	77.926316
"1101178"	436.010392	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2K+H"	78.933592
"1342064"	436.098007	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+DMSO+H"	79.021207
"1007066"	440.137176	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2ACN+H"	83.060376
"1527627"	441.130808	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+IsoProp+Na+H"	84.054008
"999545"	220.572226	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+2ACN+2H"	84.067652
"1594051"	442.045428	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+K+HCOOH"	84.968628
"1415340"	472.076938	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+H+CF3COOH"	115.000138
"1152187"	241.085501	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+3ACN+2H"	125.094202
"1698459"	489.103485	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+NH4+CF3COOH"	132.026685
"1640673"	494.05888	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+Na+CF3COOH"	136.98208
"1578510"	510.03282	"C01926"	"Indomethacin;Indometacin"	"C19H16ClNO4"	"357.0768"	"M+K+CF3COOH"	152.95602
"808878"	224.0837	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M"	0
"985692"	205.06531	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-H2O-H"	-19.01839
"76852"	148.381857333333	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M-3H"	-3.021828
"515683"	223.076424	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M-3H"	-3.021828
"880967"	73.6872906666667	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-3H"	-3.021828
"1487"	223.076424	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M-2H"	-2.014552
"440805"	335.118274	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M-2H"	-2.014552
"817877"	111.034574	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-2H"	-2.014552
"81758"	447.160124	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M-H"	-1.007276
"522410"	671.243824	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M-H"	-1.007276
"898393"	223.076424	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-H"	-1.007276
"50582"	464.186671	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M-2H+NH4"	16.019271
"498527"	688.270371	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M-2H+NH4"	16.019271
"875236"	240.102971	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-2H+NH4"	16.019271
"38762"	469.142066	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M-2H+Na"	20.974666
"479415"	693.225766	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M-2H+Na"	20.974666
"855030"	245.058366	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-2H+Na"	20.974666
"1624564"	245.058366	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Na-2H"	20.974666
"99998"	241.064763	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M-H+Cl"	33.962126
"536278"	353.106613	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M-H+Cl"	33.962126
"929791"	129.022913	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-H+Cl"	33.962126
"268714"	483.136802	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+Cl"	34.969402
"660652"	707.220502	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+Cl"	34.969402
"1273666"	259.053102	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Cl"	34.969402
"15977"	485.116006	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M-2H+K"	36.948606
"456267"	709.199706	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M-2H+K"	36.948606
"833586"	261.032306	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-2H+K"	36.948606
"1555810"	261.032306	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+K-2H"	36.948606
"942899"	269.081894	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-H+HCOOH"	44.998194
"363052"	493.165601	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+HCOOH-H"	44.998201
"347298"	507.181251	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+Hac-H"	59.013851
"1497590"	283.097551	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Hac-H"	59.013851
"961851"	291.063851	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-H+NaCOOH"	66.980151
"111122"	259.053102	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+2Cl"	69.938804
"553605"	371.094952	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+2Cl"	69.938804
"1030061"	147.011252	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2Cl"	69.938804
"1254013"	303.002585	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Br"	78.918885
"1312090"	305.058572	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Cl+HCOOH"	80.974872
"1321200"	327.040529	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Cl+NaCOOH"	102.956829
"914080"	337.069286	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M-H+CF3COOH"	112.985586
"1290421"	373.045964	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Cl+CF3COOH"	148.962264
"1367974"	189.071024	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H-2H2O"	-35.012676
"1388631"	207.081	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H-H2O"	-17.0027
"292693"	449.174676	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+H"	1.007276
"688396"	673.258376	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+H"	1.007276
"1357090"	225.090976	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H"	1.007276
"135449"	225.090976	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+2H"	2.014552
"576102"	337.132826	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+2H"	2.014552
"1044902"	113.049126	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2H"	2.014552
"216084"	150.396409333333	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+3H"	3.021828
"651272"	225.090976	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+3H"	3.021828
"1171583"	75.7018426666667	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+3H"	3.021828
"434858"	466.201223	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+NH4"	18.033823
"793667"	690.284923	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+NH4"	18.033823
"1691090"	242.117523	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+NH4"	18.033823
"333172"	233.6042495	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+H+NH4"	19.041099
"726322"	345.6460995	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+H+NH4"	19.041099
"1485610"	121.5623995	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H+NH4"	19.041099
"402103"	471.156618	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+Na"	22.989218
"762004"	695.240318	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+Na"	22.989218
"1606826"	247.072918	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Na"	22.989218
"322330"	236.081947	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+H+Na"	23.996494
"714751"	348.123797	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+H+Na"	23.996494
"1469666"	124.040097	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H+Na"	23.996494
"1059630"	83.0291566666667	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2H+Na"	25.00377
"1266051"	257.117186	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+CH3OH+H"	33.033486
"385352"	487.130558	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+K"	38.963158
"744159"	711.214258	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+K"	38.963158
"1544025"	263.046858	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+K"	38.963158
"304487"	244.068917	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+H+K"	39.970434
"694721"	356.110767	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+H+K"	39.970434
"1450729"	132.027067	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H+K"	39.970434
"243704"	490.201226	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+ACN+H"	42.033826
"1218602"	266.117526	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+ACN+H"	42.033826
"1200301"	133.562401	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+ACN+2H"	43.041102
"198639"	493.13856	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+2Na-H"	44.97116
"639292"	717.22226	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+2Na-H"	44.97116
"1139518"	269.05486	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2Na-H"	44.97116
"183900"	247.072918	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+2Na"	45.978436
"622367"	359.114768	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+2Na"	45.978436
"1121865"	135.031068	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2Na"	45.978436
"1408306"	90.3564706666667	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H+2Na"	46.985712
"1434957"	271.096446	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H+HCOOH"	47.012746
"221369"	252.10594	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+3H2O+2H"	56.04448
"1510527"	285.14849	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+IsoProp+H"	61.06479
"410577"	255.059888	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+Na+K"	61.952376
"770478"	367.101738	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+Na+K"	61.952376
"1668634"	143.018038	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Na+K"	61.952376
"253816"	512.183168	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+ACN+Na"	64.015768
"1228230"	288.099468	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+ACN+Na"	64.015768
"1713832"	288.122993	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+NH4+HCOOH"	64.039293
"1182102"	97.6837846666667	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+3Na"	68.967654
"1659659"	293.078388	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Na+HCOOH"	68.994688
"166523"	525.08644	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+2K-H"	76.91904
"607175"	749.17014	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+2K-H"	76.91904
"1085125"	301.00274	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2K-H"	76.91904
"147415"	263.046858	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"2M+2K"	77.926316
"589161"	375.088708	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"3M+2K"	77.926316
"1074766"	151.005008	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2K"	77.926316
"1102869"	303.017292	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2K+H"	78.933592
"1337800"	303.104907	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+DMSO+H"	79.021207
"1007175"	307.144076	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2ACN+H"	83.060376
"1525048"	308.137708	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+IsoProp+Na+H"	84.054008
"999655"	154.075676	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+2ACN+2H"	84.067652
"1590878"	309.052328	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+K+HCOOH"	84.968628
"1415571"	339.083838	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+H+CF3COOH"	115.000138
"1152297"	174.588951	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+3ACN+2H"	125.094202
"1698569"	356.110385	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+NH4+CF3COOH"	132.026685
"1640783"	361.06578	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+Na+CF3COOH"	136.98208
"1578620"	377.03972	"C01927"	"Isoflavanone"	"C15H12O2"	"224.0837"	"M+K+CF3COOH"	152.95602
"808989"	139.0746	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M"	0
"984710"	120.05621	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-H2O-H"	-19.01839
"75140"	91.709124	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M-3H"	-3.021828
"510326"	138.067324	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M-3H"	-3.021828
"881078"	45.350924	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-3H"	-3.021828
"4511"	138.067324	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M-2H"	-2.014552
"441036"	207.604624	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M-2H"	-2.014552
"819691"	68.530024	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-2H"	-2.014552
"80410"	277.141924	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M-H"	-1.007276
"519608"	416.216524	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M-H"	-1.007276
"897045"	138.067324	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-H"	-1.007276
"49231"	294.168471	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M-2H+NH4"	16.019271
"497544"	433.243071	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M-2H+NH4"	16.019271
"876440"	155.093871	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-2H+NH4"	16.019271
"44340"	299.123866	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M-2H+Na"	20.974666
"484631"	438.198466	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M-2H+Na"	20.974666
"858422"	160.049266	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-2H+Na"	20.974666
"1625769"	160.049266	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Na-2H"	20.974666
"99017"	156.055663	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M-H+Cl"	33.962126
"539669"	225.592963	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M-H+Cl"	33.962126
"930997"	86.518363	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-H+Cl"	33.962126
"267411"	313.118602	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+Cl"	34.969402
"661619"	452.193202	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+Cl"	34.969402
"1274751"	174.044002	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Cl"	34.969402
"16211"	315.097806	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M-2H+K"	36.948606
"456137"	454.172406	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M-2H+K"	36.948606
"835762"	176.023206	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-2H+K"	36.948606
"1555662"	176.023206	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+K-2H"	36.948606
"942833"	184.072794	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-H+HCOOH"	44.998194
"363163"	323.147401	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+HCOOH-H"	44.998201
"346027"	337.163051	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+Hac-H"	59.013851
"1497703"	198.088451	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Hac-H"	59.013851
"960869"	206.054751	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-H+NaCOOH"	66.980151
"110669"	174.044002	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+2Cl"	69.938804
"553349"	243.581302	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+2Cl"	69.938804
"1032359"	104.506702	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2Cl"	69.938804
"1250843"	217.993485	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Br"	78.918885
"1309284"	220.049472	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Cl+HCOOH"	80.974872
"1323862"	242.031429	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Cl+NaCOOH"	102.956829
"914555"	252.060186	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M-H+CF3COOH"	112.985586
"1290169"	288.036864	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Cl+CF3COOH"	148.962264
"1372340"	104.061924	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H-2H2O"	-35.012676
"1386558"	122.0719	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H-H2O"	-17.0027
"289525"	279.156476	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+H"	1.007276
"684133"	418.231076	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+H"	1.007276
"1360481"	140.081876	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H"	1.007276
"137747"	140.081876	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+2H"	2.014552
"577308"	209.619176	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+2H"	2.014552
"1045014"	70.544576	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2H"	2.014552
"218382"	93.723676	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+3H"	3.021828
"651382"	140.081876	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+3H"	3.021828
"1171693"	47.365476	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+3H"	3.021828
"433875"	296.183023	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+NH4"	18.033823
"793777"	435.257623	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+NH4"	18.033823
"1693387"	157.108423	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+NH4"	18.033823
"332916"	148.5951495	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+H+NH4"	19.041099
"730806"	218.1324495	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+H+NH4"	19.041099
"1485721"	79.0578495	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H+NH4"	19.041099
"402214"	301.138418	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+Na"	22.989218
"759929"	440.213018	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+Na"	22.989218
"1609122"	162.063818	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Na"	22.989218
"321345"	151.072847	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+H+Na"	23.996494
"713767"	220.610147	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+H+Na"	23.996494
"1466494"	81.535547	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H+Na"	23.996494
"1054272"	54.69279	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2H+Na"	25.00377
"1259231"	172.108086	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+CH3OH+H"	33.033486
"382180"	317.112358	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+K"	38.963158
"741353"	456.186958	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+K"	38.963158
"1547419"	178.037758	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+K"	38.963158
"306782"	159.059817	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+H+K"	39.970434
"695923"	228.597117	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+H+K"	39.970434
"1450840"	89.522517	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H+K"	39.970434
"243816"	320.183026	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+ACN+H"	42.033826
"1216528"	181.108426	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+ACN+H"	42.033826
"1201506"	91.057851	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+ACN+2H"	43.041102
"194375"	323.12036	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+2Na-H"	44.97116
"639767"	462.19496	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+2Na-H"	44.97116
"1145095"	184.04576	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2Na-H"	44.97116
"184741"	162.063818	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+2Na"	45.978436
"621384"	231.601118	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+2Na"	45.978436
"1122707"	92.526518	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2Na"	45.978436
"1401859"	62.020104	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H+2Na"	46.985712
"1432147"	186.087346	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H+HCOOH"	47.012746
"221847"	167.09684	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+3H2O+2H"	56.04448
"1509541"	200.13939	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+IsoProp+H"	61.06479
"410687"	170.050788	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+Na+K"	61.952376
"772413"	239.588088	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+Na+K"	61.952376
"1668016"	100.513488	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Na+K"	61.952376
"253081"	342.164968	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+ACN+Na"	64.015768
"1228704"	203.090368	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+ACN+Na"	64.015768
"1715034"	203.113893	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+NH4+HCOOH"	64.039293
"1182217"	69.347418	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+3Na"	68.967654
"1657582"	208.069288	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Na+HCOOH"	68.994688
"168819"	355.06824	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+2K-H"	76.91904
"607285"	494.14284	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+2K-H"	76.91904
"1091803"	215.99364	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2K-H"	76.91904
"149711"	178.037758	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"2M+2K"	77.926316
"587086"	247.575058	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"3M+2K"	77.926316
"1071962"	108.500458	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2K"	77.926316
"1104806"	218.008192	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2K+H"	78.933592
"1338637"	218.095807	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+DMSO+H"	79.021207
"1007287"	222.134976	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2ACN+H"	83.060376
"1525413"	223.128608	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+IsoProp+Na+H"	84.054008
"999766"	111.571126	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+2ACN+2H"	84.067652
"1598646"	224.043228	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+K+HCOOH"	84.968628
"1415681"	254.074738	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+H+CF3COOH"	115.000138
"1155687"	132.084401	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+3ACN+2H"	125.094202
"1699770"	271.101285	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+NH4+CF3COOH"	132.026685
"1644173"	276.05668	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+Na+CF3COOH"	136.98208
"1582010"	292.03062	"C01929"	"L-Histidinal"	"C6H9N3O"	"139.0746"	"M+K+CF3COOH"	152.95602
"811289"	145.1215	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M"	0
"982635"	126.10311	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-H2O-H"	-19.01839
"71971"	95.7403906666667	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M-3H"	-3.021828
"503876"	144.114224	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M-3H"	-3.021828
"881676"	47.3665573333333	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-3H"	-3.021828
"4629"	144.114224	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M-2H"	-2.014552
"440542"	216.674974	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M-2H"	-2.014552
"818343"	71.553474	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-2H"	-2.014552
"83078"	289.235724	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M-H"	-1.007276
"520445"	434.357224	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M-H"	-1.007276
"907003"	144.114224	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-H"	-1.007276
"57006"	306.262271	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M-2H+NH4"	16.019271
"495471"	451.383771	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M-2H+NH4"	16.019271
"873273"	161.140771	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-2H+NH4"	16.019271
"42995"	311.217666	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M-2H+Na"	20.974666
"477452"	456.339166	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M-2H+Na"	20.974666
"856349"	166.096166	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-2H+Na"	20.974666
"1623695"	166.096166	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Na-2H"	20.974666
"98036"	162.102563	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M-H+Cl"	33.962126
"536500"	234.663313	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M-H+Cl"	33.962126
"928922"	89.541813	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-H+Cl"	33.962126
"269673"	325.212402	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+Cl"	34.969402
"663189"	470.333902	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+Cl"	34.969402
"1277779"	180.090902	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Cl"	34.969402
"19242"	327.191606	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M-2H+K"	36.948606
"459165"	472.313106	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M-2H+K"	36.948606
"836968"	182.070106	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-2H+K"	36.948606
"1560093"	182.070106	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+K-2H"	36.948606
"945423"	190.119694	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-H+HCOOH"	44.998194
"364004"	335.241201	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+HCOOH-H"	44.998201
"355544"	349.256851	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+Hac-H"	59.013851
"1497814"	204.135351	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Hac-H"	59.013851
"965358"	212.101651	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-H+NaCOOH"	66.980151
"124108"	180.090902	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+2Cl"	69.938804
"562577"	252.651652	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+2Cl"	69.938804
"1027732"	107.530152	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2Cl"	69.938804
"1244394"	224.040385	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Br"	78.918885
"1306842"	226.096372	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Cl+HCOOH"	80.974872
"1325433"	248.078329	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Cl+NaCOOH"	102.956829
"911662"	258.107086	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M-H+CF3COOH"	112.985586
"1288652"	294.083764	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Cl+CF3COOH"	148.962264
"1368441"	110.108824	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H-2H2O"	-35.012676
"1385571"	128.1188	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H-H2O"	-17.0027
"284895"	291.250276	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+H"	1.007276
"678776"	436.371776	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+H"	1.007276
"1354394"	146.128776	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H"	1.007276
"133480"	146.128776	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+2H"	2.014552
"569763"	218.689526	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+2H"	2.014552
"1041844"	73.568026	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2H"	2.014552
"210839"	97.7549426666667	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+3H"	3.021828
"651493"	146.128776	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+3H"	3.021828
"1173995"	49.3811093333333	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+3H"	3.021828
"427422"	308.276823	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+NH4"	18.033823
"797166"	453.398323	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+NH4"	18.033823
"1691312"	163.155323	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+NH4"	18.033823
"335215"	154.6420495	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+H+NH4"	19.041099
"727635"	227.2027995	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+H+NH4"	19.041099
"1482548"	82.0812995	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H+NH4"	19.041099
"400135"	313.232218	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+Na"	22.989218
"762226"	458.353718	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+Na"	22.989218
"1607043"	168.110718	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Na"	22.989218
"318173"	157.119747	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+H+Na"	23.996494
"713878"	229.680497	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+H+Na"	23.996494
"1467699"	84.558997	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H+Na"	23.996494
"1060944"	56.7084233333333	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2H+Na"	25.00377
"1264813"	178.154986	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+CH3OH+H"	33.033486
"385209"	329.206158	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+K"	38.963158
"743653"	474.327658	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+K"	38.963158
"1544615"	184.084658	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+K"	38.963158
"306534"	165.106717	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+H+K"	39.970434
"698228"	237.667467	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+H+K"	39.970434
"1453142"	92.545967	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H+K"	39.970434
"245023"	332.276826	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+ACN+H"	42.033826
"1217732"	187.155326	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+ACN+H"	42.033826
"1202709"	94.081301	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+ACN+2H"	43.041102
"199955"	335.21416	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+2Na-H"	44.97116
"636233"	480.33566	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+2Na-H"	44.97116
"1140833"	190.09266	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2Na-H"	44.97116
"180843"	168.110718	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+2Na"	45.978436
"622590"	240.671468	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+2Na"	45.978436
"1125004"	95.549968	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2Na"	45.978436
"1401971"	64.0357373333333	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H+2Na"	46.985712
"1435180"	192.134246	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H+HCOOH"	47.012746
"225970"	173.14374	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+3H2O+2H"	56.04448
"1514033"	206.18629	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+IsoProp+H"	61.06479
"411535"	176.097688	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+Na+K"	61.952376
"771799"	248.658438	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+Na+K"	61.952376
"1668491"	103.536938	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Na+K"	61.952376
"254648"	354.258768	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+ACN+Na"	64.015768
"1231729"	209.137268	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+ACN+Na"	64.015768
"1716608"	209.160793	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+NH4+HCOOH"	64.039293
"1189990"	71.3630513333333	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+3Na"	68.967654
"1659883"	214.116188	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Na+HCOOH"	68.994688
"163466"	367.16204	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+2K-H"	76.91904
"600475"	512.28354	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+2K-H"	76.91904
"1095192"	222.04054	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2K-H"	76.91904
"143991"	184.084658	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"2M+2K"	77.926316
"587196"	256.645408	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"3M+2K"	77.926316
"1072071"	111.523908	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2K"	77.926316
"1107108"	224.055092	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2K+H"	78.933592
"1340212"	224.142707	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+DMSO+H"	79.021207
"1014209"	228.181876	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2ACN+H"	83.060376
"1527965"	229.175508	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+IsoProp+Na+H"	84.054008
"1003158"	114.594576	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+2ACN+2H"	84.067652
"1588185"	230.090128	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+K+HCOOH"	84.968628
"1416761"	260.121638	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+H+CF3COOH"	115.000138
"1149237"	135.107851	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+3ACN+2H"	125.094202
"1697100"	277.148185	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+NH4+CF3COOH"	132.026685
"1644283"	282.10358	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+Na+CF3COOH"	136.98208
"1582120"	298.07752	"C01930"	"L-Lysinamide"	"C6H15N3O"	"145.1215"	"M+K+CF3COOH"	152.95602
"801957"	131.0946	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M"	0
"982743"	112.07621	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"65518"	86.389124	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"503451"	130.087324	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"880807"	42.690924	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"561"	130.087324	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"441018"	195.634624	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"819912"	64.540024	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"83189"	261.181924	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"519951"	392.276524	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"900550"	130.087324	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"49819"	278.208471	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"494488"	409.303071	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"870101"	147.113871	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"36909"	283.163866	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"474282"	414.258466	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"854271"	152.069266	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1621616"	152.069266	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"96682"	148.075663	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"538064"	213.622963	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"927657"	82.528363	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"267389"	297.158602	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"660624"	428.253202	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1276796"	166.064002	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"16146"	299.137806	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"455992"	430.232406	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"833799"	168.043206	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1558017"	168.043206	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"944808"	176.092794	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"368491"	307.187401	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"352372"	321.203051	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1493386"	190.108451	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"963647"	198.074751	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"115103"	166.064002	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"550532"	231.611302	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1024559"	100.516702	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1247422"	210.013485	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1305616"	212.069472	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1320802"	234.051429	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"912226"	244.080186	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1288806"	280.056864	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1368550"	96.081924	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1385682"	114.0919	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"286462"	263.196476	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"679247"	394.291076	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1355595"	132.101876	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"132498"	132.101876	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"573154"	197.649176	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1049248"	66.554576	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"218241"	88.403676	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"654884"	132.101876	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1175201"	44.705476	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"435191"	280.223023	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"798371"	411.317623	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1688139"	149.128423	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"338605"	140.6151495	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"731025"	206.1624495	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1480471"	75.0678495	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"401339"	285.178418	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"765618"	416.273018	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1608246"	154.083818	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"320471"	143.092847	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"713990"	208.640147	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1468903"	77.545547	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1061053"	52.03279	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1262735"	164.128086	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"382405"	301.152358	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"743401"	432.246958	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1548734"	170.057758	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"302629"	151.079817	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"701617"	216.627117	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1455439"	85.532517	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"245133"	304.223026	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1217842"	173.128426	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1202819"	87.067851	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"196419"	307.16036	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"638530"	438.25496	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1139851"	176.06576	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"182046"	154.083818	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"621611"	219.631118	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1122930"	88.536518	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1404268"	59.360104	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1435290"	178.107346	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"227902"	159.11684	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1516694"	192.15939	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"416017"	162.070788	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"776281"	227.618088	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1674434"	96.523488	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"259860"	326.204968	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1236215"	195.110368	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1718178"	195.133893	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1184627"	66.687418	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1654520"	200.089288	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"166852"	339.10824	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"607509"	470.20284	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1093113"	208.01364	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"143734"	170.057758	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"585482"	235.605058	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1073276"	104.510458	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1107218"	210.028192	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1343603"	210.115807	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1017600"	214.154976	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1531353"	215.148608	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"997801"	107.581126	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1591212"	216.063228	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1415779"	246.094738	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1152628"	128.094401	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1697114"	263.121285	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1644393"	268.07668	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1582230"	284.05062	"C01933"	"L-Norleucine;L-Aminohexanoic acid;L-Aminohexanoate;L-2-Aminohexanoic acid;L-2-Aminohexanoate;(S)-2-Aminohexanoic acid"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"810417"	180.0634	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M"	0
"976659"	161.04501	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"65993"	119.034990666667	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"503845"	179.056124	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"882994"	59.0138573333333	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"1569"	179.056124	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"441733"	269.087824	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"827683"	89.024424	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"83299"	359.119524	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"525047"	539.182924	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"902850"	179.056124	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"57226"	376.146071	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"495692"	556.209471	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"870214"	196.082671	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"34832"	381.101466	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"475485"	561.164866	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"852192"	201.038066	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1621726"	201.038066	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"96070"	197.044463	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"535383"	287.076163	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"929148"	107.012763	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"268191"	395.096202	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"671065"	575.159602	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1274234"	215.032802	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"17520"	397.075406	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"463401"	577.138806	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"835735"	217.012006	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1560317"	217.012006	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"945281"	225.061594	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"362404"	405.125001	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"349934"	419.140651	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1494755"	239.077251	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"960595"	247.043551	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"113028"	215.032802	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"552225"	305.064502	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1025034"	125.001102	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1244248"	258.982285	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1305967"	261.038272	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1320420"	283.020229	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"911968"	293.048986	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1289041"	329.025664	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1371211"	145.050724	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1385430"	163.0607	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"286935"	361.134076	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"677900"	541.197476	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1355345"	181.070676	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"130424"	181.070676	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"575455"	271.102376	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1050452"	91.038976	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"215800"	121.049542666667	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"657551"	181.070676	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1175675"	61.0284093333333	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"437852"	378.160623	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"797389"	558.224023	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1685336"	198.097223	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"337621"	189.5839495	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"732230"	279.6156495	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1486050"	99.5522495	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"402544"	383.116018	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"761353"	563.179418	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1611638"	203.052618	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"321675"	192.061647	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"716286"	282.093347	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1472294"	102.029947	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1060071"	68.3557233333333	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1263936"	213.096886	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"384699"	399.089958	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"747883"	579.153358	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1547756"	219.026558	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"311130"	200.048617	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"706470"	290.080317	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1456643"	110.016917	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"247433"	402.160626	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1220140"	222.097226	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1201837"	111.552251	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"200176"	405.09796	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"637548"	585.16136	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1138866"	225.03456	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"179242"	203.052618	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"618440"	293.084318	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1123044"	113.020918	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1403289"	75.6830373333333	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1436498"	227.076146	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"228381"	208.08564	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1518632"	241.12819	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415036"	211.039588	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"777124"	301.071288	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1670175"	121.007888	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"255963"	424.142568	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1227944"	244.079168	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1720479"	244.102693	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1183646"	83.0103513333333	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656092"	249.058088	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"161500"	437.04584	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"601786"	617.10924	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1087393"	256.98244	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"143844"	219.026558	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"582680"	309.058258	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1070350"	128.994858	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1110610"	258.996992	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1349792"	259.084607	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1013338"	263.123776	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1528181"	264.117408	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"991347"	132.065526	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1588887"	265.032028	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1415889"	295.063538	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1148001"	152.578801	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1704480"	312.090085	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1636850"	317.04548	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1573594"	333.01942	"C01934"	"L-Rhamnonate;6-Deoxy-L-mannonic acid"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"801443"	990.3275	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M"	0
"974272"	971.30911	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-H2O-H"	-19.01839
"63102"	659.211057333333	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M-3H"	-3.021828
"503026"	989.320224	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M-3H"	-3.021828
"880915"	329.101890666667	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-3H"	-3.021828
"2772"	989.320224	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M-2H"	-2.014552
"443423"	1484.483974	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M-2H"	-2.014552
"818673"	494.156474	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-2H"	-2.014552
"80128"	1979.647724	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M-H"	-1.007276
"524062"	2969.975224	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M-H"	-1.007276
"898585"	989.320224	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-H"	-1.007276
"54053"	1996.674271	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M-2H+NH4"	16.019271
"496896"	2987.001771	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M-2H+NH4"	16.019271
"871416"	1006.346771	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-2H+NH4"	16.019271
"38224"	2001.629666	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M-2H+Na"	20.974666
"473043"	2991.957166	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M-2H+Na"	20.974666
"851210"	1011.302166	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-2H+Na"	20.974666
"1620744"	1011.302166	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Na-2H"	20.974666
"95323"	1007.308563	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M-H+Cl"	33.962126
"535011"	1502.472313	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M-H+Cl"	33.962126
"929257"	512.144813	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-H+Cl"	33.962126
"267445"	2015.624402	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+Cl"	34.969402
"660145"	3005.951902	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+Cl"	34.969402
"1273243"	1025.296902	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Cl"	34.969402
"16166"	2017.603606	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M-2H+K"	36.948606
"461323"	3007.931106	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M-2H+K"	36.948606
"839124"	1027.276106	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-2H+K"	36.948606
"1557509"	1027.276106	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+K-2H"	36.948606
"949400"	1035.325694	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-H+HCOOH"	44.998194
"363972"	2025.653201	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+HCOOH-H"	44.998201
"349678"	2039.668851	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+Hac-H"	59.013851
"1493888"	1049.341351	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Hac-H"	59.013851
"959608"	1057.307651	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-H+NaCOOH"	66.980151
"110018"	1025.296902	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+2Cl"	69.938804
"553429"	1520.460652	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+2Cl"	69.938804
"1024414"	530.133152	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2Cl"	69.938804
"1245089"	1069.246385	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Br"	78.918885
"1308992"	1071.302372	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Cl+HCOOH"	80.974872
"1322844"	1093.284329	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Cl+NaCOOH"	102.956829
"914264"	1103.313086	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M-H+CF3COOH"	112.985586
"1293529"	1139.289764	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Cl+CF3COOH"	148.962264
"1373877"	955.314824	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H-2H2O"	-35.012676
"1386631"	973.3248	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H-H2O"	-17.0027
"285591"	1981.662276	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+H"	1.007276
"679108"	2971.989776	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+H"	1.007276
"1354368"	991.334776	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H"	1.007276
"129439"	991.334776	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+2H"	2.014552
"575565"	1486.498526	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+2H"	2.014552
"1048010"	496.171026	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2H"	2.014552
"215546"	661.225609333333	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+3H"	3.021828
"654012"	991.334776	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+3H"	3.021828
"1173231"	331.116442666667	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+3H"	3.021828
"428851"	1998.688823	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+NH4"	18.033823
"793125"	2989.016323	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+NH4"	18.033823
"1683624"	1008.361323	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+NH4"	18.033823
"337732"	999.8480495	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+H+NH4"	19.041099
"729059"	1495.0117995	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+H+NH4"	19.041099
"1485067"	504.6842995	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H+NH4"	19.041099
"399374"	2003.644218	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+Na"	22.989218
"758183"	2993.971718	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+Na"	22.989218
"1612842"	1013.316718	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Na"	22.989218
"322881"	1002.325747	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+H+Na"	23.996494
"713118"	1497.489497	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+H+Na"	23.996494
"1469124"	507.161997	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H+Na"	23.996494
"1057993"	338.443756666667	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2H+Na"	25.00377
"1259675"	1023.360986	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+CH3OH+H"	33.033486
"380799"	2019.618158	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+K"	38.963158
"743626"	3009.945658	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+K"	38.963158
"1546773"	1029.290658	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+K"	38.963158
"309053"	1010.312717	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+H+K"	39.970434
"696371"	1505.476467	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+H+K"	39.970434
"1451286"	515.148967	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H+K"	39.970434
"245356"	2022.688826	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+ACN+H"	42.033826
"1218065"	1032.361326	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+ACN+H"	42.033826
"1200854"	516.684301	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+ACN+2H"	43.041102
"199192"	2025.62616	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+2Na-H"	44.97116
"636565"	3015.95366	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+2Na-H"	44.97116
"1136791"	1035.29866	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2Na-H"	44.97116
"181175"	1013.316718	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+2Na"	45.978436
"618555"	1508.480468	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+2Na"	45.978436
"1120966"	518.152968	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2Na"	45.978436
"1403399"	345.771070666667	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H+2Na"	46.985712
"1435515"	1037.340246	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H+HCOOH"	47.012746
"228491"	1018.34974	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+3H2O+2H"	56.04448
"1516553"	1051.39229	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+IsoProp+H"	61.06479
"415146"	1021.303688	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+Na+K"	61.952376
"777235"	1516.467438	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+Na+K"	61.952376
"1670285"	526.139938	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Na+K"	61.952376
"252793"	2044.670768	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+ACN+Na"	64.015768
"1228419"	1054.343268	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+ACN+Na"	64.015768
"1714390"	1054.366793	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+NH4+HCOOH"	64.039293
"1182661"	353.098384666667	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+3Na"	68.967654
"1656931"	1059.322188	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Na+HCOOH"	68.994688
"162336"	2057.57404	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+2K-H"	76.91904
"604447"	3047.90154	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+2K-H"	76.91904
"1086045"	1067.24654	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2K-H"	76.91904
"144685"	1029.290658	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"2M+2K"	77.926316
"585340"	1524.454408	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"3M+2K"	77.926316
"1072041"	534.126908	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2K"	77.926316
"1105252"	1069.261092	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2K+H"	78.933592
"1339451"	1069.348707	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+DMSO+H"	79.021207
"1009072"	1073.387876	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2ACN+H"	83.060376
"1529382"	1074.381508	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+IsoProp+Na+H"	84.054008
"992187"	537.197576	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+2ACN+2H"	84.067652
"1592524"	1075.296128	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+K+HCOOH"	84.968628
"1415633"	1105.327638	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+H+CF3COOH"	115.000138
"1148108"	557.710851	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+3ACN+2H"	125.094202
"1697662"	1122.354185	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+NH4+CF3COOH"	132.026685
"1636959"	1127.30958	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+Na+CF3COOH"	136.98208
"1572612"	1143.28352	"C01936"	"Maltohexaose"	"C36H62O31"	"990.3275"	"M+K+CF3COOH"	152.95602
"801449"	454.1713	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M"	0
"974411"	435.15291	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-H2O-H"	-19.01839
"64389"	301.773590666667	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M-3H"	-3.021828
"503221"	453.164024	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M-3H"	-3.021828
"880011"	150.383157333333	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-3H"	-3.021828
"3975"	453.164024	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M-2H"	-2.014552
"442439"	680.249674	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M-2H"	-2.014552
"818420"	226.078374	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-2H"	-2.014552
"80238"	907.335324	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M-H"	-1.007276
"520892"	1361.506624	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M-H"	-1.007276
"899053"	453.164024	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-H"	-1.007276
"47966"	924.361871	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M-2H+NH4"	16.019271
"492632"	1378.533171	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M-2H+NH4"	16.019271
"867152"	470.190571	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-2H+NH4"	16.019271
"33960"	929.317266	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M-2H+Na"	20.974666
"473270"	1383.488566	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M-2H+Na"	20.974666
"848769"	475.145966	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-2H+Na"	20.974666
"1619761"	475.145966	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Na-2H"	20.974666
"94623"	471.152363	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M-H+Cl"	33.962126
"534387"	698.238013	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M-H+Cl"	33.962126
"929367"	244.066713	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-H+Cl"	33.962126
"267269"	943.312002	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+Cl"	34.969402
"660831"	1397.483302	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+Cl"	34.969402
"1272863"	489.140702	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Cl"	34.969402
"15871"	945.291206	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M-2H+K"	36.948606
"461433"	1399.462506	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M-2H+K"	36.948606
"835954"	491.119906	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-2H+K"	36.948606
"1556647"	491.119906	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+K-2H"	36.948606
"947326"	499.169494	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-H+HCOOH"	44.998194
"364082"	953.340801	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+HCOOH-H"	44.998201
"351977"	967.356451	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+Hac-H"	59.013851
"1494608"	513.185151	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Hac-H"	59.013851
"959236"	521.151451	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-H+NaCOOH"	66.980151
"110695"	489.140702	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+2Cl"	69.938804
"552811"	716.226352	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+2Cl"	69.938804
"1026712"	262.055052	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2Cl"	69.938804
"1248117"	533.090185	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Br"	78.918885
"1309468"	535.146172	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Cl+HCOOH"	80.974872
"1324048"	557.128129	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Cl+NaCOOH"	102.956829
"916926"	567.156886	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M-H+CF3COOH"	112.985586
"1298012"	603.133564	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Cl+CF3COOH"	148.962264
"1372895"	419.158624	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H-2H2O"	-35.012676
"1388202"	437.1686	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H-H2O"	-17.0027
"294453"	909.349876	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+H"	1.007276
"682499"	1363.521176	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+H"	1.007276
"1357758"	455.178576	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H"	1.007276
"131737"	455.178576	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+2H"	2.014552
"576040"	682.264226	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+2H"	2.014552
"1046660"	228.092926	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2H"	2.014552
"216385"	303.788142666667	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+3H"	3.021828
"650845"	455.178576	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+3H"	3.021828
"1174804"	152.397709333333	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+3H"	3.021828
"435888"	926.376423	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+NH4"	18.033823
"794328"	1380.547723	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+NH4"	18.033823
"1687380"	472.205123	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+NH4"	18.033823
"334564"	463.6918495	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+H+NH4"	19.041099
"731358"	690.7774995	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+H+NH4"	19.041099
"1484085"	236.6061995	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H+NH4"	19.041099
"402766"	931.331818	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+Na"	22.989218
"759387"	1385.503118	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+Na"	22.989218
"1610767"	477.160518	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Na"	22.989218
"322994"	466.169547	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+H+Na"	23.996494
"716509"	693.255197	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+H+Na"	23.996494
"1471057"	239.083897	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H+Na"	23.996494
"1060293"	159.725023333333	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2H+Na"	25.00377
"1263065"	487.204786	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+CH3OH+H"	33.033486
"379450"	947.305758	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+K"	38.963158
"744100"	1401.477058	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+K"	38.963158
"1546519"	493.134458	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+K"	38.963158
"309163"	474.156517	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+H+K"	39.970434
"696481"	701.242167	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+H+K"	39.970434
"1451395"	247.070867	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H+K"	39.970434
"244373"	950.376426	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+ACN+H"	42.033826
"1218175"	496.205126	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+ACN+H"	42.033826
"1202058"	248.606201	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+ACN+2H"	43.041102
"197115"	953.31376	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+2Na-H"	44.97116
"638861"	1407.48506	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+2Na-H"	44.97116
"1135809"	499.14246	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2Na-H"	44.97116
"175818"	477.160518	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+2Na"	45.978436
"617572"	704.246168	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+2Na"	45.978436
"1118889"	250.074868	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2Na"	45.978436
"1403509"	167.052337333333	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H+2Na"	46.985712
"1435625"	501.184046	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H+HCOOH"	47.012746
"224226"	482.19354	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+3H2O+2H"	56.04448
"1515570"	515.23609	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+IsoProp+H"	61.06479
"415255"	485.147488	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+Na+K"	61.952376
"778437"	712.233138	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+Na+K"	61.952376
"1673675"	258.061838	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Na+K"	61.952376
"260193"	972.358368	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+ACN+Na"	64.015768
"1231808"	518.187068	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+ACN+Na"	64.015768
"1719604"	518.210593	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+NH4+HCOOH"	64.039293
"1182771"	174.379651333333	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+3Na"	68.967654
"1653762"	523.165988	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Na+HCOOH"	68.994688
"160259"	985.26164	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+2K-H"	76.91904
"599821"	1439.43294	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+2K-H"	76.91904
"1086522"	531.09034	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2K-H"	76.91904
"144432"	493.134458	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"2M+2K"	77.926316
"585085"	720.220108	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"3M+2K"	77.926316
"1072151"	266.048808	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2K"	77.926316
"1105362"	533.104892	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2K+H"	78.933592
"1337738"	533.192507	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+DMSO+H"	79.021207
"1009180"	537.231676	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2ACN+H"	83.060376
"1527305"	538.225308	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+IsoProp+Na+H"	84.054008
"993754"	269.119476	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+2ACN+2H"	84.067652
"1592634"	539.139928	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+K+HCOOH"	84.968628
"1418294"	569.171438	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+H+CF3COOH"	115.000138
"1149311"	289.632751	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+3ACN+2H"	125.094202
"1700683"	586.197985	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+NH4+CF3COOH"	132.026685
"1634390"	591.15338	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+Na+CF3COOH"	136.98208
"1572722"	607.12732	"C01937"	"Methotrexate"	"C20H22N8O5"	"454.1713"	"M+K+CF3COOH"	152.95602
"808560"	192.0423	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M"	0
"975896"	173.02391	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"63316"	127.020924	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"503122"	191.035024	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"881138"	63.006824	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"117"	191.035024	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"440196"	287.056174	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"817349"	95.013874	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"79376"	383.077324	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"518766"	575.119624	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"899900"	191.035024	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"52089"	400.103871	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"487758"	592.146171	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"864345"	208.061571	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"32247"	405.059266	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"471726"	597.101566	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"848600"	213.016966	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1618691"	213.016966	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"94613"	209.023363	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"534416"	305.044513	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"927615"	113.002213	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"267219"	419.054002	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"661555"	611.096302	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1272832"	227.011702	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"16392"	421.033206	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"459357"	613.075506	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"835336"	228.990906	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1558825"	228.990906	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"943788"	237.040494	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"362733"	429.082801	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"348443"	443.098451	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1494718"	251.056151	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"965912"	259.022451	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"118101"	227.011702	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"550247"	323.032852	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1023178"	130.990552	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1243851"	270.961185	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1307028"	273.017172	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1322700"	294.999129	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"915217"	305.027886	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1301038"	341.004564	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1375190"	157.029624	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1386125"	175.0396	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"292373"	385.091876	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"682609"	577.134176	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1354586"	193.049576	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"131847"	193.049576	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"576516"	289.070726	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1048229"	97.028426	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"215041"	129.035476	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"654601"	193.049576	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1174550"	65.021376	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"437093"	402.118423	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"793345"	594.160723	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1687490"	210.076123	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"337954"	201.5628495	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"732562"	297.5839995	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1489664"	105.5416995	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"398501"	407.073818	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"761684"	599.116118	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1611969"	215.031518	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"324196"	204.040547	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"714430"	300.061697	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1472262"	108.019397	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1059309"	72.34869	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1260986"	225.075786	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"381747"	423.047758	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"751139"	615.090058	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1546630"	231.005458	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"311828"	212.027517	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"698780"	308.048667	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1448229"	116.006367	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"243390"	426.118426	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1215004"	234.076126	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1199979"	117.541701	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"197224"	429.05576	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"632774"	621.09806	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1133731"	237.01346	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"174590"	215.031518	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"617684"	311.052668	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1125565"	119.010368	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1401553"	79.676004	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1430751"	239.055046	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"220485"	220.06454	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1509115"	253.10709	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"412084"	223.018488	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"773080"	319.039638	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1671596"	126.997338	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"253742"	448.100368	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1233013"	256.058068	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1715705"	256.081593	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1181793"	87.003318	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1652780"	261.036988	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"162190"	461.00364	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"599566"	653.04594	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1085902"	268.96134	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"143815"	231.005458	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"583372"	327.026608	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1070438"	134.984308	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1102191"	270.975892	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1337481"	271.063507	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1007469"	275.102676	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1525593"	276.096308	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"990947"	138.054976	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1588732"	277.010928	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1415851"	307.042438	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1147475"	158.568251	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1697514"	324.068985	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1634296"	329.02438	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1572831"	344.99832	"C01938"	"Naphthazarin;58-Dihydroxy-14-naphthoquinone"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"808670"	500.1543	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M"	0
"980016"	481.13591	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-H2O-H"	-19.01839
"63879"	332.428924	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M-3H"	-3.021828
"503320"	499.147024	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M-3H"	-3.021828
"882342"	165.710824	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-3H"	-3.021828
"5290"	499.147024	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M-2H"	-2.014552
"440470"	749.224174	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M-2H"	-2.014552
"818399"	249.069874	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-2H"	-2.014552
"79728"	999.301324	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M-H"	-1.007276
"519402"	1499.455624	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M-H"	-1.007276
"896238"	499.147024	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-H"	-1.007276
"53292"	1016.327871	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M-2H+NH4"	16.019271
"490664"	1516.482171	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M-2H+NH4"	16.019271
"864698"	516.173571	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-2H+NH4"	16.019271
"37461"	1021.283266	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M-2H+Na"	20.974666
"471795"	1521.437566	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M-2H+Na"	20.974666
"849070"	521.128966	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-2H+Na"	20.974666
"1619252"	521.128966	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Na-2H"	20.974666
"94850"	517.135363	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M-H+Cl"	33.962126
"536436"	767.212513	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M-H+Cl"	33.962126
"927128"	267.058213	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-H+Cl"	33.962126
"268630"	1035.278002	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+Cl"	34.969402
"660686"	1535.432302	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+Cl"	34.969402
"1277712"	535.123702	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Cl"	34.969402
"19540"	1037.257206	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M-2H+K"	36.948606
"455784"	1537.411506	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M-2H+K"	36.948606
"837268"	537.102906	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-2H+K"	36.948606
"1557842"	537.102906	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+K-2H"	36.948606
"945722"	545.152494	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-H+HCOOH"	44.998194
"364300"	1045.306801	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+HCOOH-H"	44.998201
"349645"	1059.322451	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+Hac-H"	59.013851
"1494826"	559.168151	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Hac-H"	59.013851
"963470"	567.134451	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-H+NaCOOH"	66.980151
"121491"	535.123702	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+2Cl"	69.938804
"550233"	785.200852	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+2Cl"	69.938804
"1025839"	285.046552	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2Cl"	69.938804
"1248336"	579.073185	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Br"	78.918885
"1307866"	581.129172	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Cl+HCOOH"	80.974872
"1324998"	603.111129	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Cl+NaCOOH"	102.956829
"914963"	613.139886	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M-H+CF3COOH"	112.985586
"1298232"	649.116564	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Cl+CF3COOH"	148.962264
"1380767"	465.141624	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H-2H2O"	-35.012676
"1393525"	483.1516	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H-H2O"	-17.0027
"294670"	1001.315876	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+H"	1.007276
"687822"	1501.470176	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+H"	1.007276
"1363446"	501.161576	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H"	1.007276
"137426"	501.161576	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+2H"	2.014552
"578085"	751.238726	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+2H"	2.014552
"1050527"	251.084426	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2H"	2.014552
"215518"	334.443476	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+3H"	3.021828
"655439"	501.161576	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+3H"	3.021828
"1176480"	167.725376	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+3H"	3.021828
"438178"	1018.342423	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+NH4"	18.033823
"795642"	1518.496723	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+NH4"	18.033823
"1688694"	518.188123	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+NH4"	18.033823
"342438"	509.6748495	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+H+NH4"	19.041099
"730484"	759.7519995	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+H+NH4"	19.041099
"1489773"	259.5976995	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H+NH4"	19.041099
"404078"	1023.297818	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+Na"	22.989218
"763981"	1523.452118	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+Na"	22.989218
"1612081"	523.143518	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Na"	22.989218
"318839"	512.152547	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+H+Na"	23.996494
"710167"	762.229697	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+H+Na"	23.996494
"1471642"	262.075397	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H+Na"	23.996494
"1056138"	175.05269	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2H+Na"	25.00377
"1269846"	533.187786	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+CH3OH+H"	33.033486
"380764"	1039.271758	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+K"	38.963158
"741397"	1539.426058	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+K"	38.963158
"1547104"	539.117458	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+K"	38.963158
"310843"	520.139517	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+H+K"	39.970434
"697797"	770.216667	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+H+K"	39.970434
"1454900"	270.062367	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H+K"	39.970434
"243500"	1042.342426	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+ACN+H"	42.033826
"1214022"	542.188126	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+ACN+H"	42.033826
"1200091"	271.597701	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+ACN+2H"	43.041102
"195147"	1045.27976	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+2Na-H"	44.97116
"633615"	1545.43406	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+2Na-H"	44.97116
"1134935"	545.12546	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2Na-H"	44.97116
"174944"	523.143518	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+2Na"	45.978436
"616699"	773.220668	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+2Na"	45.978436
"1121300"	273.066368	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2Na"	45.978436
"1401542"	182.380004	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H+2Na"	46.985712
"1432564"	547.167046	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H+HCOOH"	47.012746
"220308"	528.17654	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+3H2O+2H"	56.04448
"1509347"	561.21909	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+IsoProp+H"	61.06479
"410006"	531.130488	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+Na+K"	61.952376
"771003"	781.207638	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+Na+K"	61.952376
"1668426"	281.053338	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Na+K"	61.952376
"253852"	1064.324368	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+ACN+Na"	64.015768
"1233123"	564.170068	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+ACN+Na"	64.015768
"1715815"	564.193593	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+NH4+HCOOH"	64.039293
"1181903"	189.707318	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+3Na"	68.967654
"1653983"	569.148988	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Na+HCOOH"	68.994688
"160115"	1077.22764	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+2K-H"	76.91904
"599677"	1577.38194	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+2K-H"	76.91904
"1087473"	577.07334	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2K-H"	76.91904
"148299"	539.117458	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"2M+2K"	77.926316
"584578"	789.194608	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"3M+2K"	77.926316
"1073464"	289.040308	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2K"	77.926316
"1100962"	579.087892	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2K+H"	78.933592
"1337957"	579.175507	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+DMSO+H"	79.021207
"1011591"	583.214676	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2ACN+H"	83.060376
"1524853"	584.208308	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+IsoProp+Na+H"	84.054008
"990694"	292.110976	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+2ACN+2H"	84.067652
"1589208"	585.122928	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+K+HCOOH"	84.968628
"1414869"	615.154438	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+H+CF3COOH"	115.000138
"1147707"	312.624251	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+3ACN+2H"	125.094202
"1697380"	632.180985	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+NH4+CF3COOH"	132.026685
"1634489"	637.13638	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+Na+CF3COOH"	136.98208
"1571968"	653.11032	"C01941"	"Nocardicin A"	"C23H24N4O9"	"500.1543"	"M+K+CF3COOH"	152.95602
"809873"	907.2353	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M"	0
"974315"	888.21691	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-H2O-H"	-19.01839
"69463"	603.816257333333	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M-3H"	-3.021828
"513400"	906.228024	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M-3H"	-3.021828
"881482"	301.404490666667	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-3H"	-3.021828
"1148"	906.228024	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M-2H"	-2.014552
"443870"	1359.845674	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M-2H"	-2.014552
"821672"	452.610374	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-2H"	-2.014552
"79108"	1813.463324	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M-H"	-1.007276
"518667"	2720.698624	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M-H"	-1.007276
"896593"	906.228024	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-H"	-1.007276
"57412"	1830.489871	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M-2H+NH4"	16.019271
"496245"	2737.725171	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M-2H+NH4"	16.019271
"870765"	923.254571	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-2H+NH4"	16.019271
"35385"	1835.445266	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M-2H+Na"	20.974666
"472999"	2742.680566	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M-2H+Na"	20.974666
"848935"	928.209966	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-2H+Na"	20.974666
"1619361"	928.209966	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Na-2H"	20.974666
"96623"	924.216363	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M-H+Cl"	33.962126
"536303"	1377.834013	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M-H+Cl"	33.962126
"928237"	470.598713	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-H+Cl"	33.962126
"268253"	1849.440002	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+Cl"	34.969402
"661404"	2756.675302	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+Cl"	34.969402
"1277822"	942.204702	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Cl"	34.969402
"24025"	1851.419206	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M-2H+K"	36.948606
"458847"	2758.654506	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M-2H+K"	36.948606
"839565"	944.183906	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-2H+K"	36.948606
"1558681"	944.183906	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+K-2H"	36.948606
"945105"	952.233494	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-H+HCOOH"	44.998194
"364051"	1859.468801	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+HCOOH-H"	44.998201
"349755"	1873.484451	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+Hac-H"	59.013851
"1496767"	966.249151	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Hac-H"	59.013851
"966133"	974.215451	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-H+NaCOOH"	66.980151
"116135"	942.204702	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+2Cl"	69.938804
"555332"	1395.822352	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+2Cl"	69.938804
"1028141"	488.587052	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2Cl"	69.938804
"1245893"	986.154185	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Br"	78.918885
"1307246"	988.210172	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Cl+HCOOH"	80.974872
"1322558"	1010.192129	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Cl+NaCOOH"	102.956829
"917262"	1020.220886	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M-H+CF3COOH"	112.985586
"1295063"	1056.197564	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Cl+CF3COOH"	148.962264
"1374317"	872.222624	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H-2H2O"	-35.012676
"1387805"	890.2326	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H-H2O"	-17.0027
"290772"	1815.477876	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+H"	1.007276
"681734"	2722.713176	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+H"	1.007276
"1361001"	908.242576	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H"	1.007276
"136442"	908.242576	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+2H"	2.014552
"579289"	1361.860226	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+2H"	2.014552
"1050273"	454.624926	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2H"	2.014552
"217814"	605.830809333333	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+3H"	3.021828
"657009"	908.242576	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+3H"	3.021828
"1176228"	303.419042666667	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+3H"	3.021828
"437316"	1832.504423	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+NH4"	18.033823
"795752"	2739.739723	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+NH4"	18.033823
"1688804"	925.269123	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+NH4"	18.033823
"340361"	916.7558495	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+H+NH4"	19.041099
"733877"	1370.3734995	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+H+NH4"	19.041099
"1484416"	463.1381995	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H+NH4"	19.041099
"404189"	1837.459818	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+Na"	22.989218
"766279"	2744.695118	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+Na"	22.989218
"1612191"	930.224518	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Na"	22.989218
"323324"	919.233547	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+H+Na"	23.996494
"712463"	1372.851197	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+H+Na"	23.996494
"1472846"	465.615897	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H+Na"	23.996494
"1057342"	310.746356666667	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2H+Na"	25.00377
"1271050"	940.268786	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+CH3OH+H"	33.033486
"381969"	1853.433758	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+K"	38.963158
"742966"	2760.669058	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+K"	38.963158
"1547214"	946.198458	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+K"	38.963158
"301473"	927.220517	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+H+K"	39.970434
"697907"	1380.838167	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+H+K"	39.970434
"1449543"	473.602867	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H+K"	39.970434
"238144"	1856.504426	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+ACN+H"	42.033826
"1216315"	949.269126	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+ACN+H"	42.033826
"1201294"	475.138201	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+ACN+2H"	43.041102
"194164"	1859.44176	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+2Na-H"	44.97116
"637004"	2766.67706	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+2Na-H"	44.97116
"1135045"	952.20646	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2Na-H"	44.97116
"176147"	930.224518	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+2Na"	45.978436
"616809"	1383.842168	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+2Na"	45.978436
"1125785"	476.606868	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2Na"	45.978436
"1400559"	318.073670666667	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H+2Na"	46.985712
"1432675"	954.248046	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H+HCOOH"	47.012746
"224559"	935.25754	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+3H2O+2H"	56.04448
"1509336"	968.30009	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+IsoProp+H"	61.06479
"413395"	938.211488	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+Na+K"	61.952376
"772206"	1391.829138	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+Na+K"	61.952376
"1672910"	484.593838	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Na+K"	61.952376
"256148"	1878.486368	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+ACN+Na"	64.015768
"1232140"	971.251068	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+ACN+Na"	64.015768
"1715560"	971.274593	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+NH4+HCOOH"	64.039293
"1180919"	325.400984666667	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+3Na"	68.967654
"1655186"	976.229988	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Na+HCOOH"	68.994688
"163147"	1891.38964	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+2K-H"	76.91904
"603801"	2798.62494	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+2K-H"	76.91904
"1088314"	984.15434	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2K-H"	76.91904
"145129"	946.198458	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"2M+2K"	77.926316
"583596"	1399.816108	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"3M+2K"	77.926316
"1070661"	492.580808	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2K"	77.926316
"1102776"	986.168892	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2K+H"	78.933592
"1338067"	986.256507	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+DMSO+H"	79.021207
"1008420"	990.295676	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2ACN+H"	83.060376
"1525088"	991.289308	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+IsoProp+Na+H"	84.054008
"992628"	495.651476	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+2ACN+2H"	84.067652
"1588590"	992.203928	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+K+HCOOH"	84.968628
"1414492"	1022.235438	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+H+CF3COOH"	115.000138
"1147090"	516.164751	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+3ACN+2H"	125.094202
"1697730"	1039.261985	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+NH4+CF3COOH"	132.026685
"1634194"	1044.21738	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+Na+CF3COOH"	136.98208
"1571310"	1060.19132	"C01942"	"Nonanoyl-CoA"	"C30H52N7O17P3S"	"907.2353"	"M+K+CF3COOH"	152.95602
"809981"	426.3862	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"976587"	407.36781	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"66293"	283.250190666667	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"513510"	425.378924	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"882928"	141.121457333333	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"1865"	425.378924	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"443980"	638.572024	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"820689"	212.185824	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"82864"	851.765124	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"520239"	1278.151324	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"898042"	425.378924	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"57886"	868.791671	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"496355"	1295.177871	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"868689"	442.405471	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"38777"	873.747066	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"474081"	1300.133266	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"852858"	447.360866	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1623485"	447.360866	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"96734"	443.367263	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"537385"	656.560363	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"928107"	230.174163	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"268603"	887.741802	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"662000"	1314.128002	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1277932"	461.355602	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"24500"	889.721006	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"456647"	1316.107206	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"834206"	463.334806	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1559519"	463.334806	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"948496"	471.384394	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"364163"	897.770601	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"353877"	911.786251	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1496877"	485.400051	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"966243"	493.366351	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"117339"	461.355602	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"559089"	674.548702	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1027887"	248.162502	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1248557"	505.305085	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1305897"	507.361072	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1321572"	529.343029	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"914820"	539.371786	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1295537"	575.348464	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1374427"	391.373524	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1387915"	409.3835	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"291610"	853.779676	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"681844"	1280.165876	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1360747"	427.393476	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"136188"	427.393476	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"579764"	640.586576	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1050383"	214.200376	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"218652"	285.264742666667	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"658214"	427.393476	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1177069"	143.136009333333	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"438155"	870.806223	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"795863"	1297.192423	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1691100"	444.420023	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"340472"	435.9067495	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"733987"	649.0998495	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1484526"	222.7136495	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"403206"	875.761618	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"763109"	1302.147818	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1613394"	449.375418	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"322340"	438.384447	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"712575"	651.577547	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1472956"	225.191347	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1058546"	150.463323333333	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1267879"	459.419686	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"380988"	891.735558	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"743075"	1318.121758	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1547318"	465.349358	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"302310"	446.371417	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"698017"	659.564517	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1451840"	233.178317	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"242629"	894.806226	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1216429"	468.420026	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1199217"	234.713651	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"195369"	897.74356	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"633835"	1324.12976	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1135155"	471.35736	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"174675"	449.375418	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"623480"	662.568518	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1126989"	236.182318	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1407232"	157.790637333333	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1434973"	473.398946	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"225762"	454.40844	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1513822"	487.45099	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"413507"	457.362388	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"773773"	670.555488	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1671926"	244.169288	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257355"	916.788168	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1234437"	490.401968	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1718949"	490.425493	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1181030"	165.117951333333	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1653110"	495.380888	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"161070"	929.69144	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"600631"	1356.07764	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1088424"	503.30524	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"146333"	465.349358	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"584070"	678.542458	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1073688"	252.156258	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1105803"	505.319792	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1342188"	505.407407	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1011811"	509.446576	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1525198"	510.440208	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"991402"	255.226926	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1588821"	511.354828	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1415819"	541.386338	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1147200"	275.740201	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1697359"	558.412885	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1636417"	563.36828	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1572188"	579.34222	"C01943"	"Obtusifoliol;4alpha14alpha-Dimethyl-5alpha-ergosta-824(28)-dien-3beta-ol;4alpha14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"803529"	893.2197	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M"	0
"978520"	874.20131	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-H2O-H"	-19.01839
"68591"	594.472524	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M-3H"	-3.021828
"512527"	892.212424	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M-3H"	-3.021828
"881581"	296.732624	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-3H"	-3.021828
"3795"	892.212424	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M-2H"	-2.014552
"442997"	1338.822274	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M-2H"	-2.014552
"821892"	445.602574	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-2H"	-2.014552
"81883"	1785.432124	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M-H"	-1.007276
"521077"	2678.651824	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M-H"	-1.007276
"902527"	892.212424	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-H"	-1.007276
"56904"	1802.458671	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M-2H+NH4"	16.019271
"493183"	2695.678371	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M-2H+NH4"	16.019271
"868799"	909.238971	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-2H+NH4"	16.019271
"39981"	1807.414066	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M-2H+Na"	20.974666
"474073"	2700.633766	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M-2H+Na"	20.974666
"852968"	914.194366	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-2H+Na"	20.974666
"1625782"	914.194366	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Na-2H"	20.974666
"97937"	910.200763	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M-H+Cl"	33.962126
"535795"	1356.810613	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M-H+Cl"	33.962126
"929920"	463.590913	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-H+Cl"	33.962126
"270664"	1821.408802	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+Cl"	34.969402
"666732"	2714.628502	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+Cl"	34.969402
"1282053"	928.189102	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Cl"	34.969402
"19871"	1823.388006	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M-2H+K"	36.948606
"459797"	2716.607706	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M-2H+K"	36.948606
"833953"	930.168306	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-2H+K"	36.948606
"1557075"	930.168306	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+K-2H"	36.948606
"950065"	938.217894	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-H+HCOOH"	44.998194
"364637"	1831.437601	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+HCOOH-H"	44.998201
"355445"	1845.453251	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+Hac-H"	59.013851
"1497351"	952.233551	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Hac-H"	59.013851
"968541"	960.199851	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-H+NaCOOH"	66.980151
"117449"	928.189102	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+2Cl"	69.938804
"559197"	1374.798952	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+2Cl"	69.938804
"1025077"	481.579252	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2Cl"	69.938804
"1245019"	972.138585	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Br"	78.918885
"1306372"	974.194572	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Cl+HCOOH"	80.974872
"1324234"	996.176529	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Cl+NaCOOH"	102.956829
"917478"	1006.205286	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M-H+CF3COOH"	112.985586
"1293096"	1042.181964	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Cl+CF3COOH"	148.962264
"1374538"	858.207024	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H-2H2O"	-35.012676
"1390941"	876.217	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H-H2O"	-17.0027
"291719"	1787.446676	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+H"	1.007276
"680131"	2680.666376	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+H"	1.007276
"1361222"	894.226976	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H"	1.007276
"139215"	894.226976	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+2H"	2.014552
"579143"	1340.836826	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+2H"	2.014552
"1049034"	447.617126	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2H"	2.014552
"219127"	596.487076	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+3H"	3.021828
"657597"	894.226976	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+3H"	3.021828
"1176814"	298.747176	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+3H"	3.021828
"437534"	1804.473223	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+NH4"	18.033823
"797068"	2697.692923	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+NH4"	18.033823
"1693397"	911.253523	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+NH4"	18.033823
"341675"	902.7402495	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+H+NH4"	19.041099
"734097"	1349.3500995	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+H+NH4"	19.041099
"1484636"	456.1303995	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H+NH4"	19.041099
"402223"	1809.428618	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+Na"	22.989218
"762126"	2702.648318	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+Na"	22.989218
"1611318"	916.208918	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Na"	22.989218
"321357"	905.217947	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+H+Na"	23.996494
"712685"	1351.827797	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+H+Na"	23.996494
"1471973"	458.608097	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H+Na"	23.996494
"1054647"	306.07449	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2H+Na"	25.00377
"1263615"	926.253186	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+CH3OH+H"	33.033486
"378911"	1825.402558	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+K"	38.963158
"740998"	2718.622258	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+K"	38.963158
"1545242"	932.182858	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+K"	38.963158
"301690"	913.204917	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+H+K"	39.970434
"700313"	1359.814767	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+H+K"	39.970434
"1451950"	466.595067	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H+K"	39.970434
"243832"	1828.473226	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+ACN+H"	42.033826
"1217632"	935.253526	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+ACN+H"	42.033826
"1197142"	468.130401	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+ACN+2H"	43.041102
"193293"	1831.41056	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+2Na-H"	44.97116
"632852"	2724.63026	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+2Na-H"	44.97116
"1134171"	938.19086	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2Na-H"	44.97116
"173814"	916.208918	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+2Na"	45.978436
"622500"	1362.818768	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+2Na"	45.978436
"1121632"	469.599068	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2Na"	45.978436
"1405156"	313.401804	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H+2Na"	46.985712
"1438359"	940.232446	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H+HCOOH"	47.012746
"223686"	921.24194	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+3H2O+2H"	56.04448
"1512837"	954.28449	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+IsoProp+H"	61.06479
"411428"	924.195888	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+Na+K"	61.952376
"775705"	1370.805738	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+Na+K"	61.952376
"1672034"	477.586038	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Na+K"	61.952376
"256371"	1850.455168	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+ACN+Na"	64.015768
"1233451"	957.235468	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+ACN+Na"	64.015768
"1717964"	957.258993	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+NH4+HCOOH"	64.039293
"1179317"	320.729118	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+3Na"	68.967654
"1653219"	962.214388	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Na+HCOOH"	68.994688
"161180"	1863.35844	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+2K-H"	76.91904
"604021"	2756.57814	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+2K-H"	76.91904
"1089627"	970.13874	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2K-H"	76.91904
"146444"	932.182858	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"2M+2K"	77.926316
"584179"	1378.792708	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"3M+2K"	77.926316
"1077078"	485.573008	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2K"	77.926316
"1105913"	972.153292	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2K+H"	78.933592
"1345578"	972.240907	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+DMSO+H"	79.021207
"1011921"	976.280076	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2ACN+H"	83.060376
"1525796"	977.273708	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+IsoProp+Na+H"	84.054008
"991393"	488.643676	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+2ACN+2H"	84.067652
"1592090"	978.188328	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+K+HCOOH"	84.968628
"1415563"	1008.219838	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+H+CF3COOH"	115.000138
"1147312"	509.156951	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+3ACN+2H"	125.094202
"1697266"	1025.246385	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+NH4+CF3COOH"	132.026685
"1637620"	1030.20178	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+Na+CF3COOH"	136.98208
"1572298"	1046.17572	"C01944"	"Octanoyl-CoA"	"C29H50N7O17P3S"	"893.2197"	"M+K+CF3COOH"	152.95602
"802546"	804.466	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M"	0
"977172"	785.44761	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-H2O-H"	-19.01839
"65052"	535.303390666667	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M-3H"	-3.021828
"505706"	803.458724	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M-3H"	-3.021828
"884970"	267.148057333333	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-3H"	-3.021828
"4270"	803.458724	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M-2H"	-2.014552
"444200"	1205.691724	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M-2H"	-2.014552
"822002"	401.225724	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-2H"	-2.014552
"80898"	1607.924724	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M-H"	-1.007276
"519728"	2412.390724	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M-H"	-1.007276
"900449"	803.458724	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-H"	-1.007276
"52637"	1624.951271	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M-2H+NH4"	16.019271
"490013"	2429.417271	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M-2H+NH4"	16.019271
"868909"	820.485271	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-2H+NH4"	16.019271
"40091"	1629.906666	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M-2H+Na"	20.974666
"474183"	2434.372666	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M-2H+Na"	20.974666
"853078"	825.440666	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-2H+Na"	20.974666
"1625892"	825.440666	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Na-2H"	20.974666
"98047"	821.447063	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M-H+Cl"	33.962126
"535055"	1223.680063	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M-H+Cl"	33.962126
"930029"	419.214063	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-H+Cl"	33.962126
"269679"	1643.901402	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+Cl"	34.969402
"666477"	2448.367402	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+Cl"	34.969402
"1281068"	839.435402	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Cl"	34.969402
"18885"	1645.880606	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M-2H+K"	36.948606
"460632"	2450.346606	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M-2H+K"	36.948606
"839164"	841.414606	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-2H+K"	36.948606
"1558643"	841.414606	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+K-2H"	36.948606
"946895"	849.464194	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-H+HCOOH"	44.998194
"365107"	1653.930201	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+HCOOH-H"	44.998201
"355191"	1667.945851	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+Hac-H"	59.013851
"1497097"	863.479851	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Hac-H"	59.013851
"970837"	871.446151	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-H+NaCOOH"	66.980151
"118652"	839.435402	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+2Cl"	69.938804
"560401"	1241.668402	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+2Cl"	69.938804
"1025916"	437.202402	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2Cl"	69.938804
"1245492"	883.384885	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Br"	78.918885
"1309400"	885.440872	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Cl+HCOOH"	80.974872
"1323614"	907.422829	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Cl+NaCOOH"	102.956829
"915035"	917.451586	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M-H+CF3COOH"	112.985586
"1292112"	953.428264	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Cl+CF3COOH"	148.962264
"1374648"	769.453324	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H-2H2O"	-35.012676
"1385583"	787.4633	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H-H2O"	-17.0027
"288549"	1609.939276	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+H"	1.007276
"679877"	2414.405276	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+H"	1.007276
"1358416"	805.473276	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H"	1.007276
"136774"	805.473276	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+2H"	2.014552
"579617"	1207.706276	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+2H"	2.014552
"1049508"	403.240276	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2H"	2.014552
"219238"	537.317942666667	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+3H"	3.021828
"658796"	805.473276	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+3H"	3.021828
"1177168"	269.162609333333	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+3H"	3.021828
"436915"	1626.965823	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+NH4"	18.033823
"798641"	2431.431823	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+NH4"	18.033823
"1690232"	822.499823	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+NH4"	18.033823
"339598"	813.9865495	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+H+NH4"	19.041099
"730927"	1216.2195495	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+H+NH4"	19.041099
"1484747"	411.7535495	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H+NH4"	19.041099
"401240"	1631.921218	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+Na"	22.989218
"761143"	2436.387218	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+Na"	22.989218
"1611429"	827.455218	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Na"	22.989218
"321468"	816.464247	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+H+Na"	23.996494
"713888"	1218.697247	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+H+Na"	23.996494
"1472083"	414.231247	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H+Na"	23.996494
"1055486"	276.489923333333	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2H+Na"	25.00377
"1262632"	837.499486	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+CH3OH+H"	33.033486
"379021"	1647.895158	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+K"	38.963158
"741472"	2452.361158	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+K"	38.963158
"1544258"	843.429158	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+K"	38.963158
"301799"	824.451217	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+H+K"	39.970434
"693861"	1226.684217	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+H+K"	39.970434
"1455339"	422.218217	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H+K"	39.970434
"242847"	1650.965826	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+ACN+H"	42.033826
"1214461"	846.499826	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+ACN+H"	42.033826
"1195065"	423.753551	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+ACN+2H"	43.041102
"194496"	1653.90316	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+2Na-H"	44.97116
"631869"	2458.36916	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+2Na-H"	44.97116
"1134281"	849.43716	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2Na-H"	44.97116
"176839"	827.455218	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+2Na"	45.978436
"625525"	1229.688218	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+2Na"	45.978436
"1125021"	425.222218	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2Na"	45.978436
"1408544"	283.817237333333	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H+2Na"	46.985712
"1438469"	851.478746	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H+HCOOH"	47.012746
"228167"	832.48824	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+3H2O+2H"	56.04448
"1512947"	865.53079	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+IsoProp+H"	61.06479
"410445"	835.442188	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+Na+K"	61.952376
"776909"	1237.675188	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+Na+K"	61.952376
"1669957"	433.209188	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Na+K"	61.952376
"260852"	1672.947768	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+ACN+Na"	64.015768
"1235748"	868.481768	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+ACN+Na"	64.015768
"1718803"	868.505293	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+NH4+HCOOH"	64.039293
"1179427"	291.144551333333	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+3Na"	68.967654
"1652236"	873.460688	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Na+HCOOH"	68.994688
"161290"	1685.85104	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+2K-H"	76.91904
"598659"	2490.31704	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+2K-H"	76.91904
"1089737"	881.38504	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2K-H"	76.91904
"148740"	843.429158	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"2M+2K"	77.926316
"585381"	1245.662158	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"3M+2K"	77.926316
"1077188"	441.196158	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2K"	77.926316
"1104929"	883.399592	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2K+H"	78.933592
"1339128"	883.487207	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+DMSO+H"	79.021207
"1009843"	887.526376	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2ACN+H"	83.060376
"1525298"	888.520008	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+IsoProp+Na+H"	84.054008
"992233"	444.266826	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+2ACN+2H"	84.067652
"1591107"	889.434628	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+K+HCOOH"	84.968628
"1415067"	919.466138	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+H+CF3COOH"	115.000138
"1147258"	464.780101	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+3ACN+2H"	125.094202
"1697459"	936.492685	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+NH4+CF3COOH"	132.026685
"1636637"	941.44808	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+Na+CF3COOH"	136.98208
"1572287"	957.42202	"C01945"	"Okadaic acid"	"C44H68O13"	"804.466"	"M+K+CF3COOH"	152.95602
"810311"	687.4194	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M"	0
"977282"	668.40101	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-H2O-H"	-19.01839
"63705"	457.272324	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M-3H"	-3.021828
"503995"	686.412124	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M-3H"	-3.021828
"881069"	228.132524	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-3H"	-3.021828
"1465"	686.412124	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M-2H"	-2.014552
"443217"	1030.121824	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M-2H"	-2.014552
"817612"	342.702424	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-2H"	-2.014552
"81007"	1373.831524	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M-H"	-1.007276
"519719"	2061.250924	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M-H"	-1.007276
"897273"	686.412124	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-H"	-1.007276
"47762"	1390.858071	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M-2H+NH4"	16.019271
"487435"	2078.277471	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M-2H+NH4"	16.019271
"864292"	703.438671	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-2H+NH4"	16.019271
"34733"	1395.813466	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M-2H+Na"	20.974666
"474293"	2083.232866	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M-2H+Na"	20.974666
"851001"	708.394066	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-2H+Na"	20.974666
"1622722"	708.394066	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Na-2H"	20.974666
"100343"	704.400463	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M-H+Cl"	33.962126
"534597"	1048.110163	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M-H+Cl"	33.962126
"929411"	360.690763	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-H+Cl"	33.962126
"268817"	1409.808202	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+Cl"	34.969402
"665129"	2097.227602	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+Cl"	34.969402
"1280449"	722.388802	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Cl"	34.969402
"18266"	1411.787406	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M-2H+K"	36.948606
"458920"	2099.206806	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M-2H+K"	36.948606
"835993"	724.368006	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-2H+K"	36.948606
"1556566"	724.368006	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+K-2H"	36.948606
"946274"	732.417594	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-H+HCOOH"	44.998194
"365581"	1419.837001	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+HCOOH-H"	44.998201
"351291"	1433.852651	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+Hac-H"	59.013851
"1495383"	746.433251	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Hac-H"	59.013851
"969854"	754.399551	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-H+NaCOOH"	66.980151
"121678"	722.388802	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+2Cl"	69.938804
"560511"	1066.098502	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+2Cl"	69.938804
"1028214"	378.679102	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2Cl"	69.938804
"1249249"	766.338285	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Br"	78.918885
"1310603"	768.394272	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Cl+HCOOH"	80.974872
"1321903"	790.376229	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Cl+NaCOOH"	102.956829
"914783"	800.404986	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M-H+CF3COOH"	112.985586
"1295505"	836.381664	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Cl+CF3COOH"	148.962264
"1375123"	652.406724	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H-2H2O"	-35.012676
"1391890"	670.4167	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H-H2O"	-17.0027
"288661"	1375.846076	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+H"	1.007276
"685458"	2063.265476	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+H"	1.007276
"1363633"	688.426676	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H"	1.007276
"136885"	688.426676	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+2H"	2.014552
"577174"	1032.136376	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+2H"	2.014552
"1047065"	344.716976	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2H"	2.014552
"217160"	459.286876	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+3H"	3.021828
"651618"	688.426676	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+3H"	3.021828
"1168650"	230.147076	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+3H"	3.021828
"430829"	1392.872623	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+NH4"	18.033823
"789637"	2080.292023	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+NH4"	18.033823
"1688156"	705.453223	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+NH4"	18.033823
"340802"	696.9399495	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+H+NH4"	19.041099
"728850"	1040.6496495	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+H+NH4"	19.041099
"1481579"	353.2302495	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H+NH4"	19.041099
"396978"	1397.828018	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+Na"	22.989218
"757973"	2085.247418	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+Na"	22.989218
"1611539"	710.408618	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Na"	22.989218
"321575"	699.417647	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+H+Na"	23.996494
"716186"	1043.127347	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+H+Na"	23.996494
"1472194"	355.707947	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H+Na"	23.996494
"1056692"	237.47439	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2H+Na"	25.00377
"1262743"	720.452886	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+CH3OH+H"	33.033486
"379860"	1413.801958	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+K"	38.963158
"742313"	2101.221358	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+K"	38.963158
"1545461"	726.382558	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+K"	38.963158
"304095"	707.404617	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+H+K"	39.970434
"693971"	1051.114317	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+H+K"	39.970434
"1451076"	363.694917	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H+K"	39.970434
"238583"	1416.872626	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+ACN+H"	42.033826
"1214570"	729.453226	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+ACN+H"	42.033826
"1196631"	365.230251	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+ACN+2H"	43.041102
"193512"	1419.80996	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+2Na-H"	44.97116
"632342"	2107.22936	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+2Na-H"	44.97116
"1136577"	732.39056	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2Na-H"	44.97116
"177678"	710.408618	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+2Na"	45.978436
"625632"	1054.118318	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+2Na"	45.978436
"1127316"	366.698918	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2Na"	45.978436
"1409018"	244.801704	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H+2Na"	46.985712
"1437486"	734.432146	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H+HCOOH"	47.012746
"229368"	715.44164	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+3H2O+2H"	56.04448
"1513056"	748.48419	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+IsoProp+H"	61.06479
"410188"	718.395588	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+Na+K"	61.952376
"771548"	1062.105288	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+Na+K"	61.952376
"1668975"	374.685888	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Na+K"	61.952376
"258774"	1438.854568	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+ACN+Na"	64.015768
"1235859"	751.435168	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+ACN+Na"	64.015768
"1718913"	751.458693	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+NH4+HCOOH"	64.039293
"1180991"	252.129018	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+3Na"	68.967654
"1651615"	756.414088	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Na+HCOOH"	68.994688
"159201"	1451.75784	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+2K-H"	76.91904
"598767"	2139.17724	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+2K-H"	76.91904
"1086561"	764.33844	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2K-H"	76.91904
"145566"	726.382558	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"2M+2K"	77.926316
"585127"	1070.092258	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"3M+2K"	77.926316
"1072923"	382.672858	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2K"	77.926316
"1102852"	766.352992	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2K+H"	78.933592
"1340330"	766.440607	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+DMSO+H"	79.021207
"1008860"	770.479776	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2ACN+H"	83.060376
"1526984"	771.473408	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+IsoProp+Na+H"	84.054008
"990395"	385.743526	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+2ACN+2H"	84.067652
"1589030"	772.388028	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+K+HCOOH"	84.968628
"1415054"	802.419538	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+H+CF3COOH"	115.000138
"1149354"	406.256801	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+3ACN+2H"	125.094202
"1697206"	819.446085	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+NH4+CF3COOH"	132.026685
"1636747"	824.40148	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+Na+CF3COOH"	136.98208
"1573490"	840.37542	"C01946"	"Oleandomycin;Amimycin;Landomycin;Matromycin;Romicil"	"C35H61NO12"	"687.4194"	"M+K+CF3COOH"	152.95602
"810423"	226.2297	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M"	0
"982866"	207.21131	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-H2O-H"	-19.01839
"64547"	149.812524	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M-3H"	-3.021828
"507390"	225.222424	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M-3H"	-3.021828
"882999"	74.402624	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-3H"	-3.021828
"3767"	225.222424	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M-2H"	-2.014552
"446608"	338.337274	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M-2H"	-2.014552
"820397"	112.107574	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-2H"	-2.014552
"85496"	451.452124	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M-H"	-1.007276
"519708"	677.681824	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M-H"	-1.007276
"897629"	225.222424	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-H"	-1.007276
"48727"	468.478671	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M-2H+NH4"	16.019271
"488406"	694.708371	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M-2H+NH4"	16.019271
"871318"	242.248971	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-2H+NH4"	16.019271
"37031"	473.434066	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M-2H+Na"	20.974666
"475498"	699.663766	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M-2H+Na"	20.974666
"855487"	247.204366	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-2H+Na"	20.974666
"1625019"	247.204366	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Na-2H"	20.974666
"98266"	243.210763	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M-H+Cl"	33.962126
"539289"	356.325613	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M-H+Cl"	33.962126
"930615"	130.095913	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-H+Cl"	33.962126
"272819"	487.428802	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+Cl"	34.969402
"666333"	713.658502	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+Cl"	34.969402
"1278373"	261.199102	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Cl"	34.969402
"19471"	489.408006	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M-2H+K"	36.948606
"459031"	715.637706	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M-2H+K"	36.948606
"836832"	263.178306	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-2H+K"	36.948606
"1557405"	263.178306	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+K-2H"	36.948606
"947843"	271.227894	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-H+HCOOH"	44.998194
"364964"	497.457601	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+HCOOH-H"	44.998201
"349941"	511.473251	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+Hac-H"	59.013851
"1494771"	285.243551	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Hac-H"	59.013851
"965594"	293.209851	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-H+NaCOOH"	66.980151
"116687"	261.199102	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+2Cl"	69.938804
"554061"	374.313952	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+2Cl"	69.938804
"1027230"	148.084252	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2Cl"	69.938804
"1249358"	305.148585	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Br"	78.918885
"1311443"	307.204572	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Cl+HCOOH"	80.974872
"1322010"	329.186529	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Cl+NaCOOH"	102.956829
"917445"	339.215286	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M-H+CF3COOH"	112.985586
"1291967"	375.191964	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Cl+CF3COOH"	148.962264
"1374138"	191.217024	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H-2H2O"	-35.012676
"1385438"	209.227	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H-H2O"	-17.0027
"285855"	453.466676	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+H"	1.007276
"682651"	679.696376	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+H"	1.007276
"1364105"	227.236976	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H"	1.007276
"136996"	227.236976	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+2H"	2.014552
"576557"	340.351826	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+2H"	2.014552
"1048640"	114.122126	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2H"	2.014552
"214355"	151.827076	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+3H"	3.021828
"657192"	227.236976	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+3H"	3.021828
"1175318"	76.417176	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+3H"	3.021828
"436407"	470.493223	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+NH4"	18.033823
"795214"	696.722923	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+NH4"	18.033823
"1690452"	244.263523	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+NH4"	18.033823
"337631"	235.7502495	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+H+NH4"	19.041099
"728962"	348.8650995	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+H+NH4"	19.041099
"1478529"	122.6353995	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H+NH4"	19.041099
"395630"	475.448618	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+Na"	22.989218
"761364"	701.678318	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+Na"	22.989218
"1610557"	249.218918	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Na"	22.989218
"319499"	238.227947	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+H+Na"	23.996494
"711920"	351.342797	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+H+Na"	23.996494
"1470116"	125.113097	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H+Na"	23.996494
"1063363"	83.74449	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2H+Na"	25.00377
"1266135"	259.263186	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+CH3OH+H"	33.033486
"379607"	491.422558	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+K"	38.963158
"743518"	717.652258	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+K"	38.963158
"1542295"	265.192858	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+K"	38.963158
"302747"	246.214917	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+H+K"	39.970434
"694445"	359.329767	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+H+K"	39.970434
"1449000"	133.100067	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H+K"	39.970434
"238693"	494.493226	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+ACN+H"	42.033826
"1213589"	268.263526	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+ACN+H"	42.033826
"1200752"	134.635401	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+ACN+2H"	43.041102
"195809"	497.43056	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+2Na-H"	44.97116
"632089"	723.66026	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+2Na-H"	44.97116
"1134501"	271.20086	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2Na-H"	44.97116
"175601"	249.218918	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+2Na"	45.978436
"625743"	362.333768	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+2Na"	45.978436
"1123053"	136.104068	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2Na"	45.978436
"1404390"	91.071804	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H+2Na"	46.985712
"1437596"	273.242446	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H+HCOOH"	47.012746
"225105"	254.25194	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+3H2O+2H"	56.04448
"1514261"	287.29449	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+IsoProp+H"	61.06479
"411760"	257.205888	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+Na+K"	61.952376
"773848"	370.320738	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+Na+K"	61.952376
"1669086"	144.091038	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Na+K"	61.952376
"256701"	516.475168	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+ACN+Na"	64.015768
"1234509"	290.245468	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+ACN+Na"	64.015768
"1719389"	290.268993	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+NH4+HCOOH"	64.039293
"1181466"	98.399118	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+3Na"	68.967654
"1651725"	295.224388	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Na+HCOOH"	68.994688
"158224"	529.37844	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+2K-H"	76.91904
"603255"	755.60814	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+2K-H"	76.91904
"1088859"	303.14874	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2K-H"	76.91904
"150054"	265.192858	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"2M+2K"	77.926316
"587426"	378.307708	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"3M+2K"	77.926316
"1072302"	152.078008	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2K"	77.926316
"1107337"	305.163292	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2K+H"	78.933592
"1342630"	305.250907	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+DMSO+H"	79.021207
"1011164"	309.290076	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2ACN+H"	83.060376
"1532565"	310.283708	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+IsoProp+Na+H"	84.054008
"994643"	155.148676	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+2ACN+2H"	84.067652
"1592423"	311.198328	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+K+HCOOH"	84.968628
"1421367"	341.229838	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+H+CF3COOH"	115.000138
"1150560"	175.661951	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+3ACN+2H"	125.094202
"1703394"	358.256385	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+NH4+CF3COOH"	132.026685
"1643419"	363.21178	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+Na+CF3COOH"	136.98208
"1572507"	379.18572	"C01948"	"Pentadecanal"	"C15H30O"	"226.2297"	"M+K+CF3COOH"	152.95602
"810531"	86.0732	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M"	0
"975437"	67.05481	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-H2O-H"	-19.01839
"65744"	56.3748573333333	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M-3H"	-3.021828
"505314"	85.065924	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M-3H"	-3.021828
"882022"	27.6837906666667	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-3H"	-3.021828
"3877"	85.065924	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M-2H"	-2.014552
"451093"	128.102524	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M-2H"	-2.014552
"826708"	42.029324	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-2H"	-2.014552
"86699"	171.139124	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M-H"	-1.007276
"524072"	257.212324	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M-H"	-1.007276
"899687"	85.065924	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-H"	-1.007276
"48961"	188.165671	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M-2H+NH4"	16.019271
"492531"	274.238871	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M-2H+NH4"	16.019271
"871428"	102.092471	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-2H+NH4"	16.019271
"32884"	193.121066	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M-2H+Na"	20.974666
"474515"	279.194266	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M-2H+Na"	20.974666
"849762"	107.047866	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-2H+Na"	20.974666
"1624036"	107.047866	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Na-2H"	20.974666
"94518"	103.054263	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M-H+Cl"	33.962126
"542315"	146.090863	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M-H+Cl"	33.962126
"934006"	60.017663	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-H+Cl"	33.962126
"272563"	207.115802	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+Cl"	34.969402
"662068"	293.189002	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+Cl"	34.969402
"1278484"	121.042602	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Cl"	34.969402
"22861"	209.095006	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M-2H+K"	36.948606
"460234"	295.168206	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M-2H+K"	36.948606
"836942"	123.021806	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-2H+K"	36.948606
"1556541"	123.021806	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+K-2H"	36.948606
"943937"	131.071394	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-H+HCOOH"	44.998194
"366533"	217.144601	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+HCOOH-H"	44.998201
"349325"	231.160251	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+Hac-H"	59.013851
"1502537"	145.087051	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Hac-H"	59.013851
"967891"	153.053351	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-H+NaCOOH"	66.980151
"116797"	121.042602	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+2Cl"	69.938804
"553440"	164.079202	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+2Cl"	69.938804
"1030623"	78.006002	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2Cl"	69.938804
"1251293"	164.992085	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Br"	78.918885
"1311554"	167.048072	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Cl+HCOOH"	80.974872
"1325769"	189.030029	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Cl+NaCOOH"	102.956829
"917925"	199.058786	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M-H+CF3COOH"	112.985586
"1291714"	235.035464	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Cl+CF3COOH"	148.962264
"1374981"	51.060524	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H-2H2O"	-35.012676
"1386278"	69.0705	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H-H2O"	-17.0027
"286695"	173.153676	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+H"	1.007276
"683492"	259.226876	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+H"	1.007276
"1364945"	87.080476	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H"	1.007276
"139292"	87.080476	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+2H"	2.014552
"576666"	130.117076	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+2H"	2.014552
"1048750"	44.043876	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2H"	2.014552
"215556"	58.3894093333333	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+3H"	3.021828
"656209"	87.080476	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+3H"	3.021828
"1175429"	29.6983426666667	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+3H"	3.021828
"435422"	190.180223	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+NH4"	18.033823
"795324"	276.253423	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+NH4"	18.033823
"1686187"	104.107023	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+NH4"	18.033823
"337746"	95.5937495	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+H+NH4"	19.041099
"730169"	138.6303495	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+H+NH4"	19.041099
"1479979"	52.5571495	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H+NH4"	19.041099
"396470"	195.135618	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+Na"	22.989218
"761474"	281.208818	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+Na"	22.989218
"1610667"	109.062418	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Na"	22.989218
"317787"	98.071447	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+H+Na"	23.996494
"712030"	141.108047	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+H+Na"	23.996494
"1468039"	55.034847	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H+Na"	23.996494
"1062380"	37.0256566666667	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2H+Na"	25.00377
"1265152"	119.106686	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+CH3OH+H"	33.033486
"384822"	211.109558	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+K"	38.963158
"742535"	297.182758	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+K"	38.963158
"1543499"	125.036358	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+K"	38.963158
"300671"	106.058417	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+H+K"	39.970434
"693462"	149.095017	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+H+K"	39.970434
"1449111"	63.021817	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H+K"	39.970434
"237711"	214.180226	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+ACN+H"	42.033826
"1215886"	128.107026	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+ACN+H"	42.033826
"1201955"	64.557151	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+ACN+2H"	43.041102
"194826"	217.11756	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+2Na-H"	44.97116
"633293"	303.19076	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+2Na-H"	44.97116
"1137892"	131.04436	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2Na-H"	44.97116
"175715"	109.062418	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+2Na"	45.978436
"625124"	152.099018	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+2Na"	45.978436
"1125353"	66.025818	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2Na"	45.978436
"1402680"	44.3529706666667	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H+2Na"	46.985712
"1435524"	133.085946	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H+HCOOH"	47.012746
"225218"	114.09544	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+3H2O+2H"	56.04448
"1513279"	147.13799	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+IsoProp+H"	61.06479
"412963"	117.049388	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+Na+K"	61.952376
"776146"	160.085988	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+Na+K"	61.952376
"1669196"	74.012788	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Na+K"	61.952376
"261914"	236.162168	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+ACN+Na"	64.015768
"1235349"	150.088968	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+ACN+Na"	64.015768
"1722416"	150.112493	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+NH4+HCOOH"	64.039293
"1183762"	51.6802846666667	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+3Na"	68.967654
"1651835"	155.067888	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Na+HCOOH"	68.994688
"162709"	249.06544	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+2K-H"	76.91904
"598501"	335.13864	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+2K-H"	76.91904
"1087876"	162.99224	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2K-H"	76.91904
"151262"	125.036358	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"2M+2K"	77.926316
"590820"	168.072958	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"3M+2K"	77.926316
"1076425"	81.999758	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2K"	77.926316
"1107447"	165.006792	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2K+H"	78.933592
"1342740"	165.094407	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+DMSO+H"	79.021207
"1013459"	169.133576	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2ACN+H"	83.060376
"1530489"	170.127208	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+IsoProp+Na+H"	84.054008
"998032"	85.070426	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+2ACN+2H"	84.067652
"1596911"	171.041828	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+K+HCOOH"	84.968628
"1421477"	201.073338	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+H+CF3COOH"	115.000138
"1152859"	105.583701	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+3ACN+2H"	125.094202
"1703504"	218.099885	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+NH4+CF3COOH"	132.026685
"1643529"	223.05528	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+Na+CF3COOH"	136.98208
"1572617"	239.02922	"C01949"	"Pentan-2-one;2-Pentanone;Methyl propyl ketone"	"C5H10O"	"86.0732"	"M+K+CF3COOH"	152.95602
"812828"	122.048	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M"	0
"987456"	103.02961	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-H2O-H"	-19.01839
"73513"	80.3580573333333	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M-3H"	-3.021828
"505421"	121.040724	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M-3H"	-3.021828
"883223"	39.6753906666667	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-3H"	-3.021828
"1798"	121.040724	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M-2H"	-2.014552
"453390"	182.064724	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M-2H"	-2.014552
"831558"	60.016724	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-2H"	-2.014552
"86810"	243.088724	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M-H"	-1.007276
"521264"	365.136724	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M-H"	-1.007276
"900890"	121.040724	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-H"	-1.007276
"49797"	260.115271	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M-2H+NH4"	16.019271
"494828"	382.163271	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M-2H+NH4"	16.019271
"872631"	138.067271	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-2H+NH4"	16.019271
"43812"	265.070666	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M-2H+Na"	20.974666
"484466"	387.118666	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M-2H+Na"	20.974666
"862268"	143.022666	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-2H+Na"	20.974666
"1629614"	143.022666	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Na-2H"	20.974666
"103954"	139.029063	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M-H+Cl"	33.962126
"544612"	200.053063	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M-H+Cl"	33.962126
"934845"	78.005063	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-H+Cl"	33.962126
"275589"	279.065402	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+Cl"	34.969402
"672387"	401.113402	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+Cl"	34.969402
"1279324"	157.017402	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Cl"	34.969402
"22974"	281.044606	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M-2H+K"	36.948606
"460710"	403.092606	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M-2H+K"	36.948606
"837054"	158.996606	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-2H+K"	36.948606
"1557989"	158.996606	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+K-2H"	36.948606
"950614"	167.046194	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-H+HCOOH"	44.998194
"368830"	289.094201	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+HCOOH-H"	44.998201
"354538"	303.109851	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+Hac-H"	59.013851
"1507020"	181.061851	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Hac-H"	59.013851
"972375"	189.028151	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-H+NaCOOH"	66.980151
"116907"	157.017402	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+2Cl"	69.938804
"556468"	218.041402	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+2Cl"	69.938804
"1032556"	95.993402	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2Cl"	69.938804
"1253225"	200.966885	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Br"	78.918885
"1312757"	203.022872	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Cl+HCOOH"	80.974872
"1328065"	225.004829	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Cl+NaCOOH"	102.956829
"918035"	235.033586	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M-H+CF3COOH"	112.985586
"1291460"	271.010264	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Cl+CF3COOH"	148.962264
"1370713"	87.035324	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H-2H2O"	-35.012676
"1387118"	105.0453	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H-H2O"	-17.0027
"286805"	245.103276	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+H"	1.007276
"679227"	367.151276	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+H"	1.007276
"1361774"	123.055276	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H"	1.007276
"138308"	123.055276	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+2H"	2.014552
"578235"	184.079276	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+2H"	2.014552
"1050683"	62.031276	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2H"	2.014552
"215668"	82.3726093333333	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+3H"	3.021828
"654136"	123.055276	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+3H"	3.021828
"1176270"	41.6899426666667	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+3H"	3.021828
"436628"	262.129823	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+NH4"	18.033823
"796526"	384.177823	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+NH4"	18.033823
"1687391"	140.081823	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+NH4"	18.033823
"338953"	131.5685495	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+H+NH4"	19.041099
"731372"	192.5925495	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+H+NH4"	19.041099
"1482277"	70.5445495	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H+NH4"	19.041099
"398403"	267.085218	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+Na"	22.989218
"760491"	389.133218	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+Na"	22.989218
"1609684"	145.037218	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Na"	22.989218
"319720"	134.046247	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+H+Na"	23.996494
"709589"	195.070247	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+H+Na"	23.996494
"1468149"	73.022247	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H+Na"	23.996494
"1062492"	49.0172566666667	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2H+Na"	25.00377
"1264170"	155.081486	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+CH3OH+H"	33.033486
"381652"	283.059158	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+K"	38.963158
"741919"	405.107158	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+K"	38.963158
"1541782"	161.011158	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+K"	38.963158
"299691"	142.033217	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+H+K"	39.970434
"692476"	203.057217	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+H+K"	39.970434
"1453595"	81.009217	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H+K"	39.970434
"243287"	286.129826	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+ACN+H"	42.033826
"1213807"	164.081826	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+ACN+H"	42.033826
"1200972"	82.544551	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+ACN+2H"	43.041102
"194936"	289.06716	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+2Na-H"	44.97116
"634491"	411.11516	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+2Na-H"	44.97116
"1136905"	167.01916	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2Na-H"	44.97116
"174124"	145.037218	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+2Na"	45.978436
"627427"	206.061218	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+2Na"	45.978436
"1127650"	84.013218	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2Na"	45.978436
"1411904"	56.3445706666667	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H+2Na"	46.985712
"1436730"	169.060746	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H+HCOOH"	47.012746
"230796"	150.07024	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+3H2O+2H"	56.04448
"1518857"	183.11279	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+IsoProp+H"	61.06479
"415262"	153.024188	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+Na+K"	61.952376
"774070"	214.048188	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+Na+K"	61.952376
"1669309"	92.000188	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Na+K"	61.952376
"256192"	308.111768	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+ACN+Na"	64.015768
"1234003"	186.063768	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+ACN+Na"	64.015768
"1719610"	186.087293	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+NH4+HCOOH"	64.039293
"1183874"	63.6718846666667	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+3Na"	68.967654
"1653767"	191.042688	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Na+HCOOH"	68.994688
"162819"	321.01504	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+2K-H"	76.91904
"599098"	443.06304	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+2K-H"	76.91904
"1090173"	198.96704	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2K-H"	76.91904
"152467"	161.011158	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"2M+2K"	77.926316
"589840"	222.035158	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"3M+2K"	77.926316
"1076538"	99.987158	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2K"	77.926316
"1106464"	200.981592	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2K+H"	78.933592
"1341760"	201.069207	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+DMSO+H"	79.021207
"1013571"	205.108376	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2ACN+H"	83.060376
"1531692"	206.102008	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+IsoProp+Na+H"	84.054008
"997050"	103.057826	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+2ACN+2H"	84.067652
"1597021"	207.016628	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+K+HCOOH"	84.968628
"1422681"	237.048138	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+H+CF3COOH"	115.000138
"1152969"	123.571101	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+3ACN+2H"	125.094202
"1703614"	254.074685	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+NH4+CF3COOH"	132.026685
"1641451"	259.03008	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+Na+CF3COOH"	136.98208
"1573821"	275.00402	"C01950"	"Picolinamide"	"C6H6N2O"	"122.048"	"M+K+CF3COOH"	152.95602
"810751"	150.1045	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M"	0
"981005"	131.08611	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"64145"	99.0623906666667	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"504438"	149.097224	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"882240"	49.0275573333333	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"1907"	149.097224	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"440494"	224.149474	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"830937"	74.044974	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"90202"	299.201724	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"526480"	449.306224	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"906468"	149.097224	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"51000"	316.228271	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"490563"	466.332771	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"872741"	166.123771	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"37361"	321.183666	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"474734"	471.288166	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"853630"	171.079166	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1628631"	171.079166	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"97504"	167.085563	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"545816"	242.137813	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"934956"	92.033313	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"272419"	335.178402	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"672497"	485.282902	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1276155"	185.073902	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"18343"	337.157606	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"459363"	487.262106	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"837166"	187.053106	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1559560"	187.053106	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"951819"	195.102694	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"370035"	345.207201	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"356105"	359.222851	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1507130"	209.118351	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"967020"	217.084651	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"123459"	185.073902	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"554392"	260.126152	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1031940"	110.021652	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1253705"	229.023385	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1316153"	231.079372	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1330368"	253.061329	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"919240"	263.090086	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1293760"	299.066764	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1371922"	115.091824	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1391604"	133.1018	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"292384"	301.216276	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"682618"	451.320776	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1364071"	151.111776	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"140120"	151.111776	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"578709"	226.164026	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1052584"	76.059526	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"218454"	101.076942666667	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"655340"	151.111776	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1176382"	51.0421093333333	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"436739"	318.242823	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"794452"	468.347323	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1688595"	168.138323	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"337970"	159.6250495	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"730389"	234.6772995	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1483116"	84.5727995	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"398513"	323.198218	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"760601"	473.302718	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1609794"	173.093718	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"319101"	162.102747	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"709335"	237.154997	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1468259"	87.050497	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1059319"	58.3694233333333	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1261362"	183.137986	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"387956"	339.172158	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"739840"	489.276658	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1541891"	189.067658	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"298593"	170.089717	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"691975"	245.141967	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1452610"	95.037467	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"237929"	342.242826	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1209984"	192.138326	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1194213"	96.572801	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"189007"	345.18016	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"630593"	495.28466	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1133735"	195.07566	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"173172"	173.093718	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"627416"	248.145968	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1127396"	98.041468	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1411650"	65.6967373333333	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1437933"	197.117246	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"230906"	178.12674	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1515687"	211.16929	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"414278"	181.080688	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"775274"	256.132938	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1671606"	106.028438	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"255938"	364.224768	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1234113"	214.120268	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1719720"	214.143793	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1185079"	73.0240513333333	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1652785"	219.099188	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"157945"	377.12804	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"598480"	527.23254	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1085180"	227.02354	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"148205"	189.067658	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"586670"	264.119908	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1076645"	114.015408	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1107669"	229.038092	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1345148"	229.125707	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1014775"	233.164876	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1531802"	234.158508	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1002629"	117.086076	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1593850"	235.073128	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1424980"	265.104638	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1153080"	137.599351	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1700444"	282.131185	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1636094"	287.08658	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1576119"	303.06052	"C01951"	"Piperitenone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"809770"	316.2402	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M"	0
"974549"	297.22181	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"63210"	209.819524	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"503571"	315.232924	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"888912"	104.406124	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"9674"	315.232924	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"454463"	473.353024	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"828134"	157.112824	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"89217"	631.473124	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"527685"	947.713324	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"904392"	315.232924	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"57676"	648.499671	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"495050"	964.739871	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"875768"	332.259471	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"45495"	653.455066	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"481407"	969.695266	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"859209"	337.214866	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1624367"	337.214866	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"100900"	333.221263	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"541554"	491.341363	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"928871"	175.101163	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"272532"	667.449802	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"663863"	983.690002	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1274805"	351.209602	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"18821"	669.429006	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"464942"	985.669206	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"838371"	353.188806	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1561858"	353.188806	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"951932"	361.238394	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"367961"	677.478601	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"359872"	691.494251	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1506517"	375.254051	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"971868"	383.220351	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"120410"	351.209602	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"559970"	509.329702	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1035694"	193.089502	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1254179"	395.159085	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1316628"	397.215072	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1331939"	419.197029	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"922629"	429.225786	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1296056"	465.202464	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1375312"	281.227524	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1385153"	299.2375	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"289213"	633.487676	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"686009"	949.727876	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1361265"	317.247476	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"134154"	317.247476	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"580647"	475.367576	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1052452"	159.127376	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"218686"	211.834076	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"656543"	317.247476	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1174667"	106.420676	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"434660"	650.514223	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"794564"	966.754423	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1694172"	334.274023	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"339169"	325.7607495	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"729407"	483.8808495	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1483225"	167.6406495	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"396436"	655.469618	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"759986"	971.709818	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1609905"	339.229418	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"318482"	328.238447	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"714550"	486.358547	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1467278"	170.118347	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1055054"	113.74799	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1258555"	349.273686	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"381875"	671.443558	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"741047"	987.683758	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1542738"	355.203358	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"299547"	336.225417	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"699996"	494.345517	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1451627"	178.105317	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"236946"	674.514226	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1210375"	358.274026	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1195360"	179.640651	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"188657"	677.45156	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"629000"	993.69176	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1131549"	361.21136	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"187972"	339.229418	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"627652"	497.349518	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1130675"	181.109318	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1409211"	121.075304	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1440232"	363.252946	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"227740"	344.26244	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1515800"	377.30499	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"416577"	347.216388	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"779759"	505.336488	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1670622"	189.096288	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"262608"	696.496168	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1229850"	380.255968	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1718739"	380.279493	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1181178"	128.402618	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1657272"	385.234888	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"169240"	709.39944	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"607705"	1025.63964	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1089309"	393.15924	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"145032"	355.203358	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"587871"	513.323458	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1077849"	197.083258	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1105595"	395.173792	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1346357"	395.261407	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1014886"	399.300576	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1528637"	400.294208	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"998366"	200.153926	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1598337"	401.208828	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1420715"	431.240338	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1156471"	220.667201	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1701648"	448.266885	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1649207"	453.22228	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1574043"	469.19622	"C01953"	"Pregnenolone;5-Pregnen-3beta-ol-20-one;3beta-Hydroxypregn-5-en-20-one"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"810973"	123.0433	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M"	0
"974431"	104.02491	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-H2O-H"	-19.01839
"62947"	81.0215906666667	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M-3H"	-3.021828
"503195"	122.036024	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M-3H"	-3.021828
"889022"	40.0071573333333	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-3H"	-3.021828
"9784"	122.036024	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M-2H"	-2.014552
"453721"	183.557674	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M-2H"	-2.014552
"824964"	60.514374	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-2H"	-2.014552
"87142"	245.079324	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M-H"	-1.007276
"528888"	368.122624	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M-H"	-1.007276
"904502"	122.036024	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-H"	-1.007276
"60581"	262.105871	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M-2H+NH4"	16.019271
"501480"	385.149171	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M-2H+NH4"	16.019271
"876242"	139.062571	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-2H+NH4"	16.019271
"46417"	267.061266	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M-2H+Na"	20.974666
"481517"	390.104566	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M-2H+Na"	20.974666
"859319"	144.017966	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-2H+Na"	20.974666
"1624477"	144.017966	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Na-2H"	20.974666
"100281"	140.024363	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M-H+Cl"	33.962126
"542758"	201.546013	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M-H+Cl"	33.962126
"930804"	78.502713	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-H+Cl"	33.962126
"272641"	281.056002	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+Cl"	34.969402
"668347"	404.099302	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+Cl"	34.969402
"1278564"	158.012702	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Cl"	34.969402
"19296"	283.035206	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M-2H+K"	36.948606
"460679"	406.078506	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M-2H+K"	36.948606
"835199"	159.991906	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-2H+K"	36.948606
"1559779"	159.991906	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+K-2H"	36.948606
"945478"	168.041494	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-H+HCOOH"	44.998194
"364060"	291.084801	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+HCOOH-H"	44.998201
"350862"	305.100451	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+Hac-H"	59.013851
"1504072"	182.057151	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Hac-H"	59.013851
"972706"	190.023451	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-H+NaCOOH"	66.980151
"113960"	158.012702	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+2Cl"	69.938804
"553519"	219.534352	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+2Cl"	69.938804
"1033253"	96.491052	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2Cl"	69.938804
"1253924"	201.962185	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Br"	78.918885
"1318560"	204.018172	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Cl+HCOOH"	80.974872
"1331683"	226.000129	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Cl+NaCOOH"	102.956829
"923833"	236.028886	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M-H+CF3COOH"	112.985586
"1299447"	272.005564	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Cl+CF3COOH"	148.962264
"1377610"	88.030624	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H-2H2O"	-35.012676
"1391824"	106.0406	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H-H2O"	-17.0027
"292603"	247.093876	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+H"	1.007276
"687214"	370.137176	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+H"	1.007276
"1363198"	124.050576	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H"	1.007276
"135359"	124.050576	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+2H"	2.014552
"580390"	185.572226	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+2H"	2.014552
"1050648"	62.528926	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2H"	2.014552
"219402"	83.0361426666667	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+3H"	3.021828
"657745"	124.050576	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+3H"	3.021828
"1174779"	42.0217093333333	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+3H"	3.021828
"432581"	264.120423	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+NH4"	18.033823
"792484"	387.163723	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+NH4"	18.033823
"1689909"	141.077123	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+NH4"	18.033823
"339282"	132.5638495	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+H+NH4"	19.041099
"730610"	194.0854995	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+H+NH4"	19.041099
"1485522"	71.0421995	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H+NH4"	19.041099
"400920"	269.075818	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+Na"	22.989218
"760825"	392.119118	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+Na"	22.989218
"1613295"	146.032518	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Na"	22.989218
"322239"	135.041547	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+H+Na"	23.996494
"720129"	196.563197	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+H+Na"	23.996494
"1469575"	73.519897	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H+Na"	23.996494
"1055167"	49.3490233333333	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2H+Na"	25.00377
"1262312"	156.076786	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+CH3OH+H"	33.033486
"381985"	285.049758	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+K"	38.963158
"740793"	408.093058	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+K"	38.963158
"1542848"	162.006458	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+K"	38.963158
"300751"	143.028517	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+H+K"	39.970434
"695732"	204.550167	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+H+K"	39.970434
"1449551"	81.506867	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H+K"	39.970434
"237420"	288.120426	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+ACN+H"	42.033826
"1210080"	165.077126	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+ACN+H"	42.033826
"1194317"	83.042201	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+ACN+2H"	43.041102
"189796"	291.05776	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+2Na-H"	44.97116
"631543"	414.10106	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+2Na-H"	44.97116
"1132375"	168.01446	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2Na-H"	44.97116
"187716"	146.032518	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+2Na"	45.978436
"625570"	207.554168	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+2Na"	45.978436
"1126889"	84.510868	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2Na"	45.978436
"1406037"	56.6763373333333	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H+2Na"	46.985712
"1438149"	170.056046	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H+HCOOH"	47.012746
"225661"	151.06554	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+3H2O+2H"	56.04448
"1517003"	184.10809	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+IsoProp+H"	61.06479
"416688"	154.019488	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+Na+K"	61.952376
"775495"	215.541138	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+Na+K"	61.952376
"1667451"	92.497838	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Na+K"	61.952376
"258343"	310.102368	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+ACN+Na"	64.015768
"1228867"	187.059068	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+ACN+Na"	64.015768
"1717756"	187.082593	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+NH4+HCOOH"	64.039293
"1180925"	64.0036513333333	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+3Na"	68.967654
"1654102"	192.037988	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Na+HCOOH"	68.994688
"169714"	323.00564	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+2K-H"	76.91904
"607815"	446.04894	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+2K-H"	76.91904
"1088317"	199.96234	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2K-H"	76.91904
"147329"	162.006458	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"2M+2K"	77.926316
"590168"	223.528108	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"3M+2K"	77.926316
"1074680"	100.484808	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2K"	77.926316
"1106798"	201.976892	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2K+H"	78.933592
"1346467"	202.064507	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+DMSO+H"	79.021207
"1016090"	206.103676	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2ACN+H"	83.060376
"1533121"	207.097308	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+IsoProp+Na+H"	84.054008
"999570"	103.555476	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+2ACN+2H"	84.067652
"1601606"	208.011928	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+K+HCOOH"	84.968628
"1426294"	238.043438	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+H+CF3COOH"	115.000138
"1155488"	124.068751	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+3ACN+2H"	125.094202
"1701758"	255.069985	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+NH4+CF3COOH"	132.026685
"1649843"	260.02538	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+Na+CF3COOH"	136.98208
"1574153"	275.99932	"C01956"	"Pyrazinamide;Pyrazinoic acid amide"	"C5H5N3O"	"123.0433"	"M+K+CF3COOH"	152.95602
"811083"	374.1213	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M"	0
"979150"	355.10291	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-H2O-H"	-19.01839
"67391"	248.406924	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M-3H"	-3.021828
"503671"	373.114024	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M-3H"	-3.021828
"880742"	123.699824	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-3H"	-3.021828
"9894"	373.114024	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M-2H"	-2.014552
"453832"	560.174674	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M-2H"	-2.014552
"828354"	186.053374	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-2H"	-2.014552
"88345"	747.235324	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M-H"	-1.007276
"526811"	1121.356624	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M-H"	-1.007276
"904612"	373.114024	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-H"	-1.007276
"57896"	764.261871	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M-2H+NH4"	16.019271
"500497"	1138.383171	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M-2H+NH4"	16.019271
"876352"	390.140571	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-2H+NH4"	16.019271
"46077"	769.217266	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M-2H+Na"	20.974666
"481626"	1143.338566	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M-2H+Na"	20.974666
"862833"	395.095966	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-2H+Na"	20.974666
"1627867"	395.095966	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Na-2H"	20.974666
"101485"	391.102363	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M-H+Cl"	33.962126
"538493"	578.163013	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M-H+Cl"	33.962126
"930187"	204.041713	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-H+Cl"	33.962126
"272751"	783.212002	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+Cl"	34.969402
"668457"	1157.333302	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+Cl"	34.969402
"1281954"	409.090702	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Cl"	34.969402
"19042"	785.191206	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M-2H+K"	36.948606
"462975"	1159.312506	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M-2H+K"	36.948606
"835310"	411.069906	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-2H+K"	36.948606
"1560253"	411.069906	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+K-2H"	36.948606
"946682"	419.119494	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-H+HCOOH"	44.998194
"363806"	793.240801	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+HCOOH-H"	44.998201
"353160"	807.256451	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+Hac-H"	59.013851
"1506005"	433.135151	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Hac-H"	59.013851
"973181"	441.101451	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-H+NaCOOH"	66.980151
"121724"	409.090702	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+2Cl"	69.938804
"560189"	596.151352	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+2Cl"	69.938804
"1035185"	222.030052	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2Cl"	69.938804
"1254034"	453.040185	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Br"	78.918885
"1318670"	455.096172	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Cl+HCOOH"	80.974872
"1332523"	477.078129	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Cl+NaCOOH"	102.956829
"925036"	487.106886	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M-H+CF3COOH"	112.985586
"1300651"	523.083564	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Cl+CF3COOH"	148.962264
"1379907"	339.108624	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H-2H2O"	-35.012676
"1391934"	357.1186	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H-H2O"	-17.0027
"292713"	749.249876	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+H"	1.007276
"689876"	1123.371176	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+H"	1.007276
"1365860"	375.128576	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H"	1.007276
"136562"	375.128576	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+2H"	2.014552
"581070"	562.189226	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+2H"	2.014552
"1050393"	188.067926	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2H"	2.014552
"219388"	250.421476	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+3H"	3.021828
"655668"	375.128576	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+3H"	3.021828
"1175983"	125.714376	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+3H"	3.021828
"430506"	766.276423	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+NH4"	18.033823
"791502"	1140.397723	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+NH4"	18.033823
"1687833"	392.155123	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+NH4"	18.033823
"339392"	383.6418495	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+H+NH4"	19.041099
"727441"	570.7024995	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+H+NH4"	19.041099
"1484540"	196.5811995	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H+NH4"	19.041099
"401031"	771.231818	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+Na"	22.989218
"759841"	1145.353118	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+Na"	22.989218
"1610125"	397.110518	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Na"	22.989218
"322348"	386.119547	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+H+Na"	23.996494
"715866"	573.180197	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+H+Na"	23.996494
"1468592"	199.058897	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H+Na"	23.996494
"1058557"	133.04169	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2H+Na"	25.00377
"1260236"	407.154786	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+CH3OH+H"	33.033486
"381002"	787.205758	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+K"	38.963158
"740172"	1161.327058	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+K"	38.963158
"1545145"	413.084458	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+K"	38.963158
"300131"	394.106517	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+H+K"	39.970434
"694748"	581.167167	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+H+K"	39.970434
"1449660"	207.045867	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H+K"	39.970434
"238259"	790.276426	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+ACN+H"	42.033826
"1211571"	416.155126	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+ACN+H"	42.033826
"1194887"	208.581201	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+ACN+2H"	43.041102
"192092"	793.21376	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+2Na-H"	44.97116
"630680"	1167.33506	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+2Na-H"	44.97116
"1133337"	419.09246	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2Na-H"	44.97116
"187337"	397.110518	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+2Na"	45.978436
"627019"	584.171168	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+2Na"	45.978436
"1129187"	210.049868	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2Na"	45.978436
"1408334"	140.369004	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H+2Na"	46.985712
"1436073"	421.134046	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H+HCOOH"	47.012746
"227958"	402.14354	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+3H2O+2H"	56.04448
"1518936"	435.18609	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+IsoProp+H"	61.06479
"412424"	405.097488	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+Na+K"	61.952376
"773418"	592.158138	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+Na+K"	61.952376
"1666588"	218.036838	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Na+K"	61.952376
"258453"	812.258368	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+ACN+Na"	64.015768
"1227884"	438.137068	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+ACN+Na"	64.015768
"1713284"	438.160593	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+NH4+HCOOH"	64.039293
"1182129"	147.696318	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+3Na"	68.967654
"1654212"	443.115988	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Na+HCOOH"	68.994688
"169459"	825.16164	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+2K-H"	76.91904
"600634"	1199.28294	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+2K-H"	76.91904
"1088427"	451.04034	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2K-H"	76.91904
"149626"	413.084458	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"2M+2K"	77.926316
"587001"	600.145108	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"3M+2K"	77.926316
"1076980"	226.023808	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2K"	77.926316
"1106908"	453.054892	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2K+H"	78.933592
"1349736"	453.142507	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+DMSO+H"	79.021207
"1016200"	457.181676	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2ACN+H"	83.060376
"1535420"	458.175308	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+IsoProp+Na+H"	84.054008
"1002596"	229.094476	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+2ACN+2H"	84.067652
"1601352"	459.089928	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+K+HCOOH"	84.968628
"1426403"	489.121438	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+H+CF3COOH"	115.000138
"1156691"	249.607751	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+3ACN+2H"	125.094202
"1700775"	506.147985	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+NH4+CF3COOH"	132.026685
"1645174"	511.10338	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+Na+CF3COOH"	136.98208
"1575357"	527.07732	"C01957"	"Secologanate"	"C16H22O10"	"374.1213"	"M+K+CF3COOH"	152.95602
"802199"	167.0365	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M"	0
"975250"	148.01811	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-H2O-H"	-19.01839
"63647"	110.350390666667	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M-3H"	-3.021828
"503453"	166.029224	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M-3H"	-3.021828
"881214"	54.6715573333333	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-3H"	-3.021828
"15197"	166.029224	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M-2H"	-2.014552
"455406"	249.547474	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M-2H"	-2.014552
"829560"	82.510974	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-2H"	-2.014552
"90644"	333.065724	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M-H"	-1.007276
"528016"	500.102224	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M-H"	-1.007276
"903629"	166.029224	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-H"	-1.007276
"58006"	350.092271	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M-2H+NH4"	16.019271
"500731"	517.128771	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M-2H+NH4"	16.019271
"877559"	183.055771	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-2H+NH4"	16.019271
"44365"	355.047666	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M-2H+Na"	20.974666
"478455"	522.084166	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M-2H+Na"	20.974666
"863428"	188.011166	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-2H+Na"	20.974666
"1626885"	188.011166	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Na-2H"	20.974666
"99409"	184.017563	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M-H+Cl"	33.962126
"539696"	267.535813	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M-H+Cl"	33.962126
"931025"	100.499313	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-H+Cl"	33.962126
"271769"	369.042402	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+Cl"	34.969402
"668567"	536.078902	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+Cl"	34.969402
"1284253"	202.005902	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Cl"	34.969402
"19153"	371.021606	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M-2H+K"	36.948606
"457619"	538.058106	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M-2H+K"	36.948606
"835422"	203.985106	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-2H+K"	36.948606
"1562189"	203.985106	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+K-2H"	36.948606
"952264"	212.034694	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-H+HCOOH"	44.998194
"372665"	379.071201	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+HCOOH-H"	44.998201
"354363"	393.086851	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+Hac-H"	59.013851
"1505022"	226.050351	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Hac-H"	59.013851
"971834"	234.016651	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-H+NaCOOH"	66.980151
"119648"	202.005902	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+2Cl"	69.938804
"562489"	285.524152	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+2Cl"	69.938804
"1034204"	118.487652	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2Cl"	69.938804
"1256334"	245.955385	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Br"	78.918885
"1317688"	248.011372	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Cl+HCOOH"	80.974872
"1330810"	269.993329	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Cl+NaCOOH"	102.956829
"922961"	280.022086	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M-H+CF3COOH"	112.985586
"1302222"	315.998764	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Cl+CF3COOH"	148.962264
"1375646"	132.023824	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H-2H2O"	-35.012676
"1394234"	150.0338	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H-H2O"	-17.0027
"296108"	335.080276	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+H"	1.007276
"690963"	502.116776	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+H"	1.007276
"1365608"	168.043776	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H"	1.007276
"140683"	168.043776	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+2H"	2.014552
"574050"	251.562026	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+2H"	2.014552
"1045035"	84.525526	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2H"	2.014552
"211843"	112.364942666667	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+3H"	3.021828
"656874"	168.043776	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+3H"	3.021828
"1172810"	56.6861093333333	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+3H"	3.021828
"433896"	352.106823	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+NH4"	18.033823
"795986"	519.143323	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+NH4"	18.033823
"1688309"	185.070323	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+NH4"	18.033823
"335492"	176.5570495	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+H+NH4"	19.041099
"727551"	260.0752995	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+H+NH4"	19.041099
"1482463"	93.0387995	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H+NH4"	19.041099
"398955"	357.062218	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+Na"	22.989218
"763230"	524.098718	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+Na"	22.989218
"1611329"	190.025718	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Na"	22.989218
"324643"	179.034747	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+H+Na"	23.996494
"712695"	262.552997	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+H+Na"	23.996494
"1466511"	95.516497	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H+Na"	23.996494
"1059757"	64.0134233333333	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2H+Na"	25.00377
"1258283"	200.069986	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+CH3OH+H"	33.033486
"378438"	373.036158	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+K"	38.963158
"743206"	540.072658	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+K"	38.963158
"1545258"	205.999658	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+K"	38.963158
"304624"	187.021717	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+H+K"	39.970434
"694858"	270.539967	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+H+K"	39.970434
"1447583"	103.503467	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H+K"	39.970434
"236306"	376.106826	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+ACN+H"	42.033826
"1211805"	209.070326	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+ACN+H"	42.033826
"1197511"	105.038801	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+ACN+2H"	43.041102
"191111"	379.04416	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+2Na-H"	44.97116
"631402"	546.08066	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+2Na-H"	44.97116
"1146722"	212.00766	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2Na-H"	44.97116
"186231"	190.025718	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+2Na"	45.978436
"624698"	273.543968	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+2Na"	45.978436
"1127838"	106.507468	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2Na"	45.978436
"1405165"	71.3407373333333	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H+2Na"	46.985712
"1434730"	214.049246	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H+HCOOH"	47.012746
"225881"	195.05874	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+3H2O+2H"	56.04448
"1513943"	228.10129	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+IsoProp+H"	61.06479
"414722"	198.012688	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+Na+K"	61.952376
"772436"	281.530938	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+Na+K"	61.952376
"1669858"	114.494438	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Na+K"	61.952376
"254193"	398.088768	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+ACN+Na"	64.015768
"1227270"	231.052268	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+ACN+Na"	64.015768
"1716886"	231.075793	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+NH4+HCOOH"	64.039293
"1190995"	78.6680513333333	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+3Na"	68.967654
"1661253"	236.031188	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Na+HCOOH"	68.994688
"169207"	410.99204	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+2K-H"	76.91904
"608038"	578.02854	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+2K-H"	76.91904
"1092912"	243.95554	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2K-H"	76.91904
"146453"	205.999658	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"2M+2K"	77.926316
"587108"	289.517908	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"3M+2K"	77.926316
"1075993"	122.481408	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2K"	77.926316
"1104827"	245.970092	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2K+H"	78.933592
"1341212"	246.057707	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+DMSO+H"	79.021207
"1013026"	250.096876	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2ACN+H"	83.060376
"1535529"	251.090508	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+IsoProp+Na+H"	84.054008
"1001977"	125.552076	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+2ACN+2H"	84.067652
"1598667"	252.005128	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+K+HCOOH"	84.968628
"1426513"	282.036638	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+H+CF3COOH"	115.000138
"1152425"	146.065351	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+3ACN+2H"	125.094202
"1706353"	299.063185	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+NH4+CF3COOH"	132.026685
"1645284"	304.01858	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+Na+CF3COOH"	136.98208
"1575467"	319.99252	"C01959"	"Taurocyamine"	"C3H9N3O3S"	"167.0365"	"M+K+CF3COOH"	152.95602
"808025"	298.1042	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M"	0
"978276"	279.08581	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-H2O-H"	-19.01839
"67613"	197.728857333333	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M-3H"	-3.021828
"505348"	297.096924	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M-3H"	-3.021828
"895275"	98.3607906666667	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-3H"	-3.021828
"14981"	297.096924	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M-2H"	-2.014552
"455150"	446.149024	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M-2H"	-2.014552
"830764"	148.044824	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-2H"	-2.014552
"93916"	595.201124	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M-H"	-1.007276
"531406"	893.305324	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M-H"	-1.007276
"910914"	297.096924	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-H"	-1.007276
"62009"	612.227671	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M-2H+NH4"	16.019271
"502750"	910.331871	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M-2H+NH4"	16.019271
"879616"	314.123471	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-2H+NH4"	16.019271
"46868"	617.183066	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M-2H+Na"	20.974666
"476378"	915.287266	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M-2H+Na"	20.974666
"862930"	319.078866	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-2H+Na"	20.974666
"1628096"	319.078866	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Na-2H"	20.974666
"101342"	315.085263	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M-H+Cl"	33.962126
"543090"	464.137363	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M-H+Cl"	33.962126
"930042"	166.033163	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-H+Cl"	33.962126
"282540"	631.177802	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+Cl"	34.969402
"674030"	929.282002	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+Cl"	34.969402
"1284363"	333.073602	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Cl"	34.969402
"22544"	633.157006	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M-2H+K"	36.948606
"461011"	931.261206	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M-2H+K"	36.948606
"837717"	335.052806	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-2H+K"	36.948606
"1569962"	335.052806	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+K-2H"	36.948606
"957116"	343.102394	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-H+HCOOH"	44.998194
"373871"	641.206601	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+HCOOH-H"	44.998201
"356662"	655.222251	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+Hac-H"	59.013851
"1505497"	357.118051	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Hac-H"	59.013851
"973037"	365.084351	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-H+NaCOOH"	66.980151
"121945"	333.073602	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+2Cl"	69.938804
"560411"	482.125702	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+2Cl"	69.938804
"1034678"	184.021502	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2Cl"	69.938804
"1257005"	377.023085	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Br"	78.918885
"1319786"	379.079072	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Cl+HCOOH"	80.974872
"1333836"	401.061029	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Cl+NaCOOH"	102.956829
"925258"	411.089786	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M-H+CF3COOH"	112.985586
"1303996"	447.066464	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Cl+CF3COOH"	148.962264
"1381222"	263.091524	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H-2H2O"	-35.012676
"1397260"	281.1015	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H-H2O"	-17.0027
"298353"	597.215676	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+H"	1.007276
"690462"	895.319876	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+H"	1.007276
"1366999"	299.111476	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H"	1.007276
"140067"	299.111476	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+2H"	2.014552
"581288"	448.163576	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+2H"	2.014552
"1048426"	150.059376	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2H"	2.014552
"218515"	199.743409333333	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+3H"	3.021828
"659914"	299.111476	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+3H"	3.021828
"1177908"	100.375342666667	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+3H"	3.021828
"436923"	614.242223	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+NH4"	18.033823
"799013"	912.346423	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+NH4"	18.033823
"1694979"	316.138023	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+NH4"	18.033823
"340707"	307.6247495	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+H+NH4"	19.041099
"730940"	456.6768495	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+H+NH4"	19.041099
"1486946"	158.5726495	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H+NH4"	19.041099
"403438"	619.197618	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+Na"	22.989218
"767713"	917.301818	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+Na"	22.989218
"1614719"	321.093418	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Na"	22.989218
"322570"	310.102447	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+H+Na"	23.996494
"716084"	459.154547	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+H+Na"	23.996494
"1470998"	161.050347	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H+Na"	23.996494
"1056592"	107.702656666667	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2H+Na"	25.00377
"1259733"	331.137686	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+CH3OH+H"	33.033486
"380129"	635.171558	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+K"	38.963158
"743316"	933.275758	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+K"	38.963158
"1550837"	337.067358	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+K"	38.963158
"311662"	318.089417	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+H+K"	39.970434
"703715"	467.141517	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+H+K"	39.970434
"1452067"	169.037317	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H+K"	39.970434
"241762"	638.242226	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+ACN+H"	42.033826
"1212284"	340.138026	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+ACN+H"	42.033826
"1200539"	170.572651	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+ACN+2H"	43.041102
"195597"	641.17956	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+2Na-H"	44.97116
"639178"	939.28376	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+2Na-H"	44.97116
"1146879"	343.07536	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2Na-H"	44.97116
"186341"	321.093418	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+2Na"	45.978436
"627361"	470.145518	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+2Na"	45.978436
"1127220"	172.041318	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2Na"	45.978436
"1407462"	115.029970666667	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H+2Na"	46.985712
"1438486"	345.116946	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H+HCOOH"	47.012746
"224899"	326.12644	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+3H2O+2H"	56.04448
"1515147"	359.16899	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+IsoProp+H"	61.06479
"411552"	329.080388	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+Na+K"	61.952376
"773639"	478.132488	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+Na+K"	61.952376
"1668878"	180.028288	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Na+K"	61.952376
"254308"	660.224168	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+ACN+Na"	64.015768
"1229204"	362.119968	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+ACN+Na"	64.015768
"1724653"	362.143493	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+NH4+HCOOH"	64.039293
"1191469"	122.357284666667	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+3Na"	68.967654
"1658814"	367.098888	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Na+HCOOH"	68.994688
"169681"	673.12744	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+2K-H"	76.91904
"606324"	971.23164	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+2K-H"	76.91904
"1090835"	375.02324	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2K-H"	76.91904
"142185"	337.067358	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"2M+2K"	77.926316
"589402"	486.119458	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"3M+2K"	77.926316
"1078291"	188.015258	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2K"	77.926316
"1106030"	377.037792	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2K+H"	78.933592
"1346796"	377.125407	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+DMSO+H"	79.021207
"1014233"	381.164576	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2ACN+H"	83.060376
"1531265"	382.158208	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+IsoProp+Na+H"	84.054008
"1002087"	191.085926	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+2ACN+2H"	84.067652
"1598777"	383.072828	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+K+HCOOH"	84.968628
"1425530"	413.104338	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+H+CF3COOH"	115.000138
"1155818"	211.599201	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+3ACN+2H"	125.094202
"1708650"	430.130885	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+NH4+CF3COOH"	132.026685
"1642113"	435.08628	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+Na+CF3COOH"	136.98208
"1572662"	451.06022	"C01961"	"Thalassemine;L-Thalassemine"	"C8H19N4O6P"	"298.1042"	"M+K+CF3COOH"	152.95602
"808135"	152.9918	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M"	0
"977293"	133.97341	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-H2O-H"	-19.01839
"67724"	100.987257333333	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M-3H"	-3.021828
"503636"	151.984524	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M-3H"	-3.021828
"893476"	49.9899906666667	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-3H"	-3.021828
"14238"	151.984524	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M-2H"	-2.014552
"450882"	228.480424	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M-2H"	-2.014552
"829779"	75.488624	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-2H"	-2.014552
"89770"	304.976324	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M-H"	-1.007276
"527143"	457.968124	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M-H"	-1.007276
"910050"	151.984524	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-H"	-1.007276
"61147"	322.002871	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M-2H+NH4"	16.019271
"501195"	474.994671	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M-2H+NH4"	16.019271
"879116"	169.011071	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-2H+NH4"	16.019271
"44585"	326.958266	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M-2H+Na"	20.974666
"475395"	479.950066	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M-2H+Na"	20.974666
"862676"	173.966466	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-2H+Na"	20.974666
"1626019"	173.966466	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Na-2H"	20.974666
"100359"	169.972863	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M-H+Cl"	33.962126
"542107"	246.468763	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M-H+Cl"	33.962126
"927722"	93.476963	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-H+Cl"	33.962126
"282723"	340.953002	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+Cl"	34.969402
"675234"	493.944802	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+Cl"	34.969402
"1284473"	187.961202	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Cl"	34.969402
"21561"	342.932206	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M-2H+K"	36.948606
"458934"	495.924006	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M-2H+K"	36.948606
"833454"	189.940406	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-2H+K"	36.948606
"1570072"	189.940406	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+K-2H"	36.948606
"955040"	197.989994	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-H+HCOOH"	44.998194
"374710"	350.981801	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+HCOOH-H"	44.998201
"356772"	364.997451	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+Hac-H"	59.013851
"1505607"	212.005651	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Hac-H"	59.013851
"972419"	219.971951	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-H+NaCOOH"	66.980151
"122055"	187.961202	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+2Cl"	69.938804
"564167"	264.457102	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+2Cl"	69.938804
"1036612"	111.465302	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2Cl"	69.938804
"1256799"	231.910685	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Br"	78.918885
"1319003"	233.966672	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Cl+HCOOH"	80.974872
"1327749"	255.948629	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Cl+NaCOOH"	102.956829
"925369"	265.977386	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M-H+CF3COOH"	112.985586
"1302811"	301.954064	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Cl+CF3COOH"	148.962264
"1380605"	117.979124	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H-2H2O"	-35.012676
"1396642"	135.9891	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H-H2O"	-17.0027
"296331"	306.990876	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+H"	1.007276
"690777"	459.982676	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+H"	1.007276
"1366562"	153.999076	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H"	1.007276
"137993"	153.999076	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+2H"	2.014552
"577552"	230.494976	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+2H"	2.014552
"1050723"	77.503176	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2H"	2.014552
"216438"	103.001809333333	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+3H"	3.021828
"659281"	153.999076	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+3H"	3.021828
"1175949"	52.0045426666667	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+3H"	3.021828
"436304"	324.017423	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+NH4"	18.033823
"796207"	477.009223	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+NH4"	18.033823
"1691080"	171.025623	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+NH4"	18.033823
"340817"	162.5123495	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+H+NH4"	19.041099
"729957"	239.0082495	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+H+NH4"	19.041099
"1483776"	86.0164495	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H+NH4"	19.041099
"403549"	328.972818	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+Na"	22.989218
"766730"	481.964618	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+Na"	22.989218
"1611549"	175.981018	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Na"	22.989218
"320490"	164.990047	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+H+Na"	23.996494
"710727"	241.485947	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+H+Na"	23.996494
"1467827"	88.494147	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H+Na"	23.996494
"1054513"	59.3318566666667	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2H+Na"	25.00377
"1260207"	186.025286	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+CH3OH+H"	33.033486
"379146"	344.946758	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+K"	38.963158
"742333"	497.938558	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+K"	38.963158
"1547667"	191.954958	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+K"	38.963158
"307031"	172.977017	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+H+K"	39.970434
"697265"	249.472917	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+H+K"	39.970434
"1452177"	96.481117	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H+K"	39.970434
"241871"	348.017426	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+ACN+H"	42.033826
"1212394"	195.025626	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+ACN+H"	42.033826
"1198462"	98.016451	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+ACN+2H"	43.041102
"190970"	350.95476	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+2Na-H"	44.97116
"638559"	503.94656	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+2Na-H"	44.97116
"1147016"	197.96296	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2Na-H"	44.97116
"184264"	175.981018	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+2Na"	45.978436
"628394"	252.476918	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+2Na"	45.978436
"1128423"	99.485118	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2Na"	45.978436
"1407572"	66.6591706666667	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H+2Na"	46.985712
"1437503"	200.004546	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H+HCOOH"	47.012746
"226103"	181.01404	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+3H2O+2H"	56.04448
"1515258"	214.05659	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+IsoProp+H"	61.06479
"411664"	183.967988	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+Na+K"	61.952376
"773750"	260.463888	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+Na+K"	61.952376
"1667167"	107.472088	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Na+K"	61.952376
"253325"	369.999368	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+ACN+Na"	64.015768
"1229314"	217.007568	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+ACN+Na"	64.015768
"1719295"	217.031093	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+NH4+HCOOH"	64.039293
"1187930"	73.9864846666667	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+3Na"	68.967654
"1660017"	221.986488	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Na+HCOOH"	68.994688
"169791"	382.90264	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+2K-H"	76.91904
"605343"	535.89444	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+2K-H"	76.91904
"1087666"	229.91084	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2K-H"	76.91904
"142659"	191.954958	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"2M+2K"	77.926316
"581730"	268.450858	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"3M+2K"	77.926316
"1076211"	115.459058	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2K"	77.926316
"1105047"	231.925392	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2K+H"	78.933592
"1345813"	232.013007	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+DMSO+H"	79.021207
"1012156"	236.052176	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2ACN+H"	83.060376
"1529188"	237.045808	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+IsoProp+Na+H"	84.054008
"998917"	118.529726	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+2ACN+2H"	84.067652
"1598887"	237.960428	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+K+HCOOH"	84.968628
"1424546"	267.991938	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+H+CF3COOH"	115.000138
"1157021"	139.043001	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+3ACN+2H"	125.094202
"1708760"	285.018485	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+NH4+CF3COOH"	132.026685
"1642223"	289.97388	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+Na+CF3COOH"	136.98208
"1572772"	305.94782	"C01962"	"Thiocysteine;S-Mercapto-L-cysteine"	"C3H7NO2S2"	"152.9918"	"M+K+CF3COOH"	152.95602
"808245"	150.0681	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M"	0
"974848"	131.04971	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"67834"	99.038124	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"504110"	149.060824	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"893950"	49.015424	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"14230"	149.060824	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"450992"	224.094874	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"829889"	74.026774	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"91703"	299.128924	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"528346"	449.197024	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"910648"	149.060824	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"60893"	316.155471	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"500940"	466.223571	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"877525"	166.087371	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"44330"	321.110866	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"475869"	471.178966	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"859870"	171.042766	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1626129"	171.042766	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"102656"	167.049163	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"542217"	242.083213	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"929534"	92.015113	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"275382"	335.105602	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"674369"	485.173702	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1282396"	185.037502	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"19484"	337.084806	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"457220"	487.152906	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"834291"	187.016706	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1570182"	187.016706	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"956972"	195.066294	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"373363"	345.134401	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"356882"	359.150051	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1505717"	209.081951	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"971071"	217.048251	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"122165"	185.037502	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"564641"	260.071552	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1035994"	110.003452	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1256544"	228.986985	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1316925"	231.042972	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1328953"	253.024929	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"924024"	263.053686	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1302920"	299.030364	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1381079"	115.055424	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1397119"	133.0654	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"297169"	301.143476	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"686674"	451.211576	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1366548"	151.075376	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"140532"	151.075376	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"580826"	226.109426	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1051689"	76.041326	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"215455"	101.052676	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"658294"	151.075376	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1175695"	51.029976	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"436415"	318.170023	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"799234"	468.238123	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1693376"	168.101923	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"336552"	159.5886495	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"732254"	234.6226995	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1486073"	84.5545995	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"400379"	323.125418	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"769033"	473.193518	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1611658"	173.057318	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"317324"	162.066347	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"710838"	237.100397	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1469032"	87.032297	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1055351"	58.35729	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1258859"	183.101586	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"378527"	339.099358	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"742443"	489.167458	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1547777"	189.031258	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"304954"	170.053317	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"698468"	245.087367	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1450100"	95.019267	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"240887"	342.170026	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1215781"	192.101926	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1199300"	96.554601	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"191081"	345.10736	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"641220"	495.17546	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1146436"	195.03926	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"184374"	173.057318	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"625027"	248.091368	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1125253"	98.023268	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1407682"	65.684604	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1436519"	197.080846	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"227306"	178.09034	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1516461"	211.13289	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"416146"	181.044288	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"778234"	256.078338	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1670192"	106.010238	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"253435"	364.151968	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1229423"	214.083868	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1716122"	214.107393	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1181476"	73.011918	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1655746"	219.062788	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"163700"	377.05524	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"603262"	527.12334	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1088866"	226.98714	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"146044"	189.031258	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"582691"	264.065308	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1070118"	113.997208	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1101991"	229.001692	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1337401"	229.089307	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1006177"	233.128476	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1530392"	234.122108	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"996839"	117.067876	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1594621"	235.036728	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1423560"	265.068238	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1157131"	137.581151	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1708870"	282.094785	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1642333"	287.05018	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1573611"	303.02412	"C01963"	"Tolylacetate;p-Cresyl acetate;p-Tolyacetate"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"808355"	280.0325	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M"	0
"976538"	261.01411	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-H2O-H"	-19.01839
"67944"	185.681057333333	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M-3H"	-3.021828
"504586"	279.025224	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M-3H"	-3.021828
"894062"	92.3368906666667	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-3H"	-3.021828
"14219"	279.025224	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M-2H"	-2.014552
"451101"	419.041474	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M-2H"	-2.014552
"829998"	139.008974	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-2H"	-2.014552
"92055"	559.057724	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M-H"	-1.007276
"532347"	839.090224	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M-H"	-1.007276
"906257"	279.025224	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-H"	-1.007276
"59543"	576.084271	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M-2H+NH4"	16.019271
"501051"	856.116771	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M-2H+NH4"	16.019271
"876908"	296.051771	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-2H+NH4"	16.019271
"42620"	581.039666	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M-2H+Na"	20.974666
"482176"	861.072166	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M-2H+Na"	20.974666
"858887"	301.007166	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-2H+Na"	20.974666
"1626239"	301.007166	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Na-2H"	20.974666
"102766"	297.013563	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M-H+Cl"	33.962126
"541234"	437.029813	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M-H+Cl"	33.962126
"929280"	156.997313	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-H+Cl"	33.962126
"275492"	595.034402	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+Cl"	34.969402
"673752"	875.066902	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+Cl"	34.969402
"1285786"	315.001902	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Cl"	34.969402
"23969"	597.013606	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M-2H+K"	36.948606
"461341"	877.046106	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M-2H+K"	36.948606
"833674"	316.981106	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-2H+K"	36.948606
"1567741"	316.981106	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+K-2H"	36.948606
"954530"	325.030694	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-H+HCOOH"	44.998194
"373837"	605.063201	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+HCOOH-H"	44.998201
"354806"	619.078851	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+Hac-H"	59.013851
"1499268"	339.046351	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Hac-H"	59.013851
"968995"	347.012651	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-H+NaCOOH"	66.980151
"117903"	315.001902	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+2Cl"	69.938804
"561841"	455.018152	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+2Cl"	69.938804
"1031734"	174.985652	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2Cl"	69.938804
"1251312"	358.951385	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Br"	78.918885
"1312667"	361.007372	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Cl+HCOOH"	80.974872
"1332714"	382.989329	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Cl+NaCOOH"	102.956829
"925228"	393.018086	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M-H+CF3COOH"	112.985586
"1301576"	428.994764	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Cl+CF3COOH"	148.962264
"1380826"	245.019824	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H-2H2O"	-35.012676
"1396744"	263.0298	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H-H2O"	-17.0027
"295459"	561.072276	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+H"	1.007276
"688976"	841.104776	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+H"	1.007276
"1365687"	281.039776	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H"	1.007276
"138212"	281.039776	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+2H"	2.014552
"578502"	421.056026	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+2H"	2.014552
"1050583"	141.023526	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2H"	2.014552
"217392"	187.695609333333	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+3H"	3.021828
"656586"	281.039776	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+3H"	3.021828
"1174710"	94.3514426666667	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+3H"	3.021828
"436892"	578.098823	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+NH4"	18.033823
"797521"	858.131323	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+NH4"	18.033823
"1694583"	298.066323	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+NH4"	18.033823
"339943"	289.5530495	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+H+NH4"	19.041099
"737470"	429.5692995	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+H+NH4"	19.041099
"1487278"	149.5367995	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H+NH4"	19.041099
"403772"	583.054218	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+Na"	22.989218
"766953"	863.086718	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+Na"	22.989218
"1615050"	303.021718	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Na"	22.989218
"318526"	292.030747	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+H+Na"	23.996494
"712041"	432.046997	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+H+Na"	23.996494
"1466957"	152.014497	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H+Na"	23.996494
"1055826"	101.678756666667	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2H+Na"	25.00377
"1259334"	313.065986	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+CH3OH+H"	33.033486
"378998"	599.028158	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+K"	38.963158
"742553"	879.060658	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+K"	38.963158
"1541689"	318.995658	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+K"	38.963158
"305064"	300.017717	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+H+K"	39.970434
"697485"	440.033967	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+H+K"	39.970434
"1450210"	160.001467	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H+K"	39.970434
"243186"	602.098826	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+ACN+H"	42.033826
"1216986"	322.066326	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+ACN+H"	42.033826
"1201597"	161.536801	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+ACN+2H"	43.041102
"193377"	605.03616	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+2Na-H"	44.97116
"640966"	885.06866	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+2Na-H"	44.97116
"1146182"	325.00366	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2Na-H"	44.97116
"184120"	303.021718	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+2Na"	45.978436
"625137"	443.037968	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+2Na"	45.978436
"1126456"	163.005468	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2Na"	45.978436
"1412531"	109.006070666667	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H+2Na"	46.985712
"1435536"	327.045246	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H+HCOOH"	47.012746
"231790"	308.05474	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+3H2O+2H"	56.04448
"1517665"	341.09729	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+IsoProp+H"	61.06479
"419537"	311.008688	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+Na+K"	61.952376
"782718"	451.024938	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+Na+K"	61.952376
"1673582"	170.992438	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Na+K"	61.952376
"253909"	624.080768	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+ACN+Na"	64.015768
"1230627"	344.048268	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+ACN+Na"	64.015768
"1717324"	344.071793	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+NH4+HCOOH"	64.039293
"1181586"	116.333384666667	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+3Na"	68.967654
"1655855"	349.027188	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Na+HCOOH"	68.994688
"163810"	636.98404	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+2K-H"	76.91904
"601186"	917.01654	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+2K-H"	76.91904
"1087519"	356.95154	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2K-H"	76.91904
"144697"	318.995658	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"2M+2K"	77.926316
"582557"	459.011908	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"3M+2K"	77.926316
"1070108"	178.979408	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2K"	77.926316
"1101980"	358.966092	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2K+H"	78.933592
"1339457"	359.053707	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+DMSO+H"	79.021207
"1007017"	363.092876	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2ACN+H"	83.060376
"1524900"	364.086508	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+IsoProp+Na+H"	84.054008
"990621"	182.050076	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+2ACN+2H"	84.067652
"1595822"	365.001128	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+K+HCOOH"	84.968628
"1420386"	395.032638	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+H+CF3COOH"	115.000138
"1155054"	202.563351	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+3ACN+2H"	125.094202
"1699138"	412.059185	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+NH4+CF3COOH"	132.026685
"1642443"	417.01458	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+Na+CF3COOH"	136.98208
"1574814"	432.98852	"C01964"	"Tos-Ph-CH2Cl"	"C14H13ClO2S"	"280.0325"	"M+K+CF3COOH"	152.95602
"808465"	290.1379	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M"	0
"976163"	271.11951	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-H2O-H"	-19.01839
"66959"	192.417990666667	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M-3H"	-3.021828
"504087"	289.130624	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M-3H"	-3.021828
"895579"	95.7053573333333	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-3H"	-3.021828
"15462"	289.130624	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M-2H"	-2.014552
"451211"	434.199574	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M-2H"	-2.014552
"831201"	144.061674	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-2H"	-2.014552
"91192"	579.268524	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M-H"	-1.007276
"534120"	869.406424	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M-H"	-1.007276
"905273"	289.130624	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-H"	-1.007276
"60745"	596.295071	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M-2H+NH4"	16.019271
"501646"	886.432971	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M-2H+NH4"	16.019271
"878596"	306.157171	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-2H+NH4"	16.019271
"45523"	601.250466	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M-2H+Na"	20.974666
"482286"	891.388366	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M-2H+Na"	20.974666
"857904"	311.112566	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-2H+Na"	20.974666
"1628536"	311.112566	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Na-2H"	20.974666
"102876"	307.118963	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M-H+Cl"	33.962126
"542437"	452.187913	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M-H+Cl"	33.962126
"932670"	162.050013	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-H+Cl"	33.962126
"275602"	615.245202	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+Cl"	34.969402
"674225"	905.383102	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+Cl"	34.969402
"1285896"	325.107302	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Cl"	34.969402
"24079"	617.224406	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M-2H+K"	36.948606
"463638"	907.362306	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M-2H+K"	36.948606
"838160"	327.086506	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-2H+K"	36.948606
"1564932"	327.086506	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+K-2H"	36.948606
"950629"	335.136094	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-H+HCOOH"	44.998194
"369936"	625.274001	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+HCOOH-H"	44.998201
"357101"	639.289651	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+Hac-H"	59.013851
"1497189"	349.151751	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Hac-H"	59.013851
"968012"	357.118051	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-H+NaCOOH"	66.980151
"121294"	325.107302	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+2Cl"	69.938804
"560854"	470.176252	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+2Cl"	69.938804
"1035120"	180.038352	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2Cl"	69.938804
"1254700"	369.056785	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Br"	78.918885
"1317878"	371.112772	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Cl+HCOOH"	80.974872
"1332458"	393.094729	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Cl+NaCOOH"	102.956829
"923518"	403.123486	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M-H+CF3COOH"	112.985586
"1301319"	439.100164	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Cl+CF3COOH"	148.962264
"1380576"	255.125224	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H-2H2O"	-35.012676
"1396977"	273.1352	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H-H2O"	-17.0027
"295205"	581.283076	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+H"	1.007276
"689450"	871.420976	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+H"	1.007276
"1365434"	291.145176	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H"	1.007276
"140149"	291.145176	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+2H"	2.014552
"579708"	436.214126	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+2H"	2.014552
"1049601"	146.076226	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2H"	2.014552
"216772"	194.432542666667	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+3H"	3.021828
"655239"	291.145176	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+3H"	3.021828
"1174094"	97.7199093333333	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+3H"	3.021828
"434450"	598.309623	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+NH4"	18.033823
"796904"	888.447523	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+NH4"	18.033823
"1687401"	308.171723	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+NH4"	18.033823
"340053"	299.6584495	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+H+NH4"	19.041099
"735393"	444.7273995	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+H+NH4"	19.041099
"1488121"	154.5894995	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H+NH4"	19.041099
"405705"	603.265018	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+Na"	22.989218
"766699"	893.402918	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+Na"	22.989218
"1612975"	313.127118	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Na"	22.989218
"323008"	302.136147	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+H+Na"	23.996494
"714338"	447.205097	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+H+Na"	23.996494
"1465973"	157.067197	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H+Na"	23.996494
"1056301"	105.047223333333	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2H+Na"	25.00377
"1259080"	323.171386	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+CH3OH+H"	33.033486
"379474"	619.238958	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+K"	38.963158
"744849"	909.376858	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+K"	38.963158
"1547996"	329.101058	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+K"	38.963158
"307361"	310.123117	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+H+K"	39.970434
"699782"	455.192067	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+H+K"	39.970434
"1452508"	165.054167	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H+K"	39.970434
"241109"	622.309626	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+ACN+H"	42.033826
"1217099"	332.171726	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+ACN+H"	42.033826
"1199889"	166.589501	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+ACN+2H"	43.041102
"198223"	625.24696	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+2Na-H"	44.97116
"642534"	915.38486	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+2Na-H"	44.97116
"1144948"	335.10906	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2Na-H"	44.97116
"184593"	313.127118	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+2Na"	45.978436
"625247"	458.196068	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+2Na"	45.978436
"1130739"	168.058168	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2Na"	45.978436
"1413371"	112.374537333333	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H+2Na"	46.985712
"1437833"	337.150646	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H+HCOOH"	47.012746
"234452"	318.16014	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+3H2O+2H"	56.04448
"1523488"	351.20269	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+IsoProp+H"	61.06479
"418554"	321.114088	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+Na+K"	61.952376
"781735"	466.183038	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+Na+K"	61.952376
"1672599"	176.045138	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Na+K"	61.952376
"258028"	644.291568	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+ACN+Na"	64.015768
"1232924"	354.153668	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+ACN+Na"	64.015768
"1720714"	354.177193	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+NH4+HCOOH"	64.039293
"1186069"	119.701851333333	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+3Na"	68.967654
"1657056"	359.132588	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Na+HCOOH"	68.994688
"163919"	657.19484	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+2K-H"	76.91904
"604572"	947.33274	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+2K-H"	76.91904
"1091634"	367.05694	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2K-H"	76.91904
"145900"	329.101058	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"2M+2K"	77.926316
"585461"	474.170008	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"3M+2K"	77.926316
"1071066"	184.032108	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2K"	77.926316
"1107558"	369.071492	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2K+H"	78.933592
"1339569"	369.159107	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+DMSO+H"	79.021207
"1007370"	373.198276	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2ACN+H"	83.060376
"1525618"	374.191908	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+IsoProp+Na+H"	84.054008
"991581"	187.102776	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+2ACN+2H"	84.067652
"1589364"	375.106528	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+K+HCOOH"	84.968628
"1416121"	405.138038	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+H+CF3COOH"	115.000138
"1155164"	207.616051	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+3ACN+2H"	125.094202
"1702528"	422.164585	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+NH4+CF3COOH"	132.026685
"1642553"	427.11998	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+Na+CF3COOH"	136.98208
"1572737"	443.09392	"C01965"	"Trimethoprim"	"C14H18N4O3"	"290.1379"	"M+K+CF3COOH"	152.95602
"808576"	794.6213	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M"	0
"979921"	775.60291	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-H2O-H"	-19.01839
"65977"	528.740257333333	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M-3H"	-3.021828
"504807"	793.614024	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M-3H"	-3.021828
"893917"	263.866490666667	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-3H"	-3.021828
"15614"	793.614024	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M-2H"	-2.014552
"450228"	1190.924674	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M-2H"	-2.014552
"831311"	396.303374	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-2H"	-2.014552
"88023"	1588.235324	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M-H"	-1.007276
"533538"	2382.856624	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M-H"	-1.007276
"906477"	793.614024	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-H"	-1.007276
"59762"	1605.261871	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M-2H+NH4"	16.019271
"501147"	2399.883171	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M-2H+NH4"	16.019271
"877125"	810.640571	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-2H+NH4"	16.019271
"45390"	1610.217266	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M-2H+Na"	20.974666
"482396"	2404.838566	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M-2H+Na"	20.974666
"859107"	815.595966	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-2H+Na"	20.974666
"1626458"	815.595966	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Na-2H"	20.974666
"99705"	811.602363	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M-H+Cl"	33.962126
"538173"	1208.913013	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M-H+Cl"	33.962126
"932780"	414.291713	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-H+Cl"	33.962126
"274619"	1624.212002	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+Cl"	34.969402
"667041"	2418.833302	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+Cl"	34.969402
"1275433"	829.590702	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Cl"	34.969402
"17261"	1626.191206	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M-2H+K"	36.948606
"457549"	2420.812506	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M-2H+K"	36.948606
"838270"	831.569906	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-2H+K"	36.948606
"1565042"	831.569906	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+K-2H"	36.948606
"949645"	839.619494	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-H+HCOOH"	44.998194
"367859"	1634.240801	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+HCOOH-H"	44.998201
"351744"	1648.256451	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+Hac-H"	59.013851
"1497663"	853.635151	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Hac-H"	59.013851
"967028"	861.601451	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-H+NaCOOH"	66.980151
"119217"	829.590702	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+2Cl"	69.938804
"560964"	1226.901352	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+2Cl"	69.938804
"1034137"	432.280052	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2Cl"	69.938804
"1252626"	873.540185	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Br"	78.918885
"1316166"	875.596172	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Cl+HCOOH"	80.974872
"1330383"	897.578129	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Cl+NaCOOH"	102.956829
"924720"	907.606886	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M-H+CF3COOH"	112.985586
"1300337"	943.583564	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Cl+CF3COOH"	148.962264
"1379956"	759.608624	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H-2H2O"	-35.012676
"1393807"	777.6186	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H-H2O"	-17.0027
"294951"	1590.249876	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+H"	1.007276
"688468"	2384.871176	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+H"	1.007276
"1364451"	795.628576	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H"	1.007276
"137346"	795.628576	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+2H"	2.014552
"577998"	1192.939226	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+2H"	2.014552
"1048980"	398.317926	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2H"	2.014552
"215788"	530.754809333333	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+3H"	3.021828
"648790"	795.628576	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+3H"	3.021828
"1172382"	265.881042666667	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+3H"	3.021828
"431280"	1607.276423	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+NH4"	18.033823
"795555"	2401.897723	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+NH4"	18.033823
"1690794"	812.655123	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+NH4"	18.033823
"335058"	804.1418495	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+H+NH4"	19.041099
"735502"	1201.4524995	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+H+NH4"	19.041099
"1487499"	406.8311995	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H+NH4"	19.041099
"404720"	1612.231818	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+Na"	22.989218
"764986"	2406.853118	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+Na"	22.989218
"1610898"	817.610518	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Na"	22.989218
"316923"	806.619547	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+H+Na"	23.996494
"712264"	1203.930197	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+H+Na"	23.996494
"1463168"	409.308897	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H+Na"	23.996494
"1054956"	273.208356666667	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2H+Na"	25.00377
"1257486"	827.654786	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+CH3OH+H"	33.033486
"378735"	1628.205758	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+K"	38.963158
"743866"	2422.827058	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+K"	38.963158
"1548106"	833.584458	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+K"	38.963158
"310751"	814.606517	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+H+K"	39.970434
"698799"	1211.917167	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+H+K"	39.970434
"1452618"	417.295867	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H+K"	39.970434
"242313"	1631.276426	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+ACN+H"	42.033826
"1217209"	836.655126	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+ACN+H"	42.033826
"1204375"	418.831201	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+ACN+2H"	43.041102
"198333"	1634.21376	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+2Na-H"	44.97116
"641914"	2428.83506	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+2Na-H"	44.97116
"1142506"	839.59246	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2Na-H"	44.97116
"178506"	817.610518	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+2Na"	45.978436
"618795"	1214.921168	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+2Na"	45.978436
"1125581"	420.299868	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2Na"	45.978436
"1412142"	280.535670666667	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H+2Na"	46.985712
"1437943"	841.634046	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H+HCOOH"	47.012746
"233469"	822.64354	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+3H2O+2H"	56.04448
"1524138"	855.68609	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+IsoProp+H"	61.06479
"420851"	825.597488	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+Na+K"	61.952376
"782939"	1222.908138	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+Na+K"	61.952376
"1673802"	428.286838	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Na+K"	61.952376
"259231"	1653.258368	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+ACN+Na"	64.015768
"1231941"	858.637068	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+ACN+Na"	64.015768
"1720823"	858.660593	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+NH4+HCOOH"	64.039293
"1184721"	287.862984666667	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+3Na"	68.967654
"1657167"	863.615988	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Na+HCOOH"	68.994688
"161114"	1666.16164	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+2K-H"	76.91904
"604681"	2460.78294	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+2K-H"	76.91904
"1088829"	871.54034	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2K-H"	76.91904
"144187"	833.584458	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"2M+2K"	77.926316
"582656"	1230.895108	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"3M+2K"	77.926316
"1069718"	436.273808	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2K"	77.926316
"1104388"	873.554892	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2K+H"	78.933592
"1339680"	873.642507	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+DMSO+H"	79.021207
"1008211"	877.681676	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2ACN+H"	83.060376
"1531808"	878.675308	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+IsoProp+Na+H"	84.054008
"992785"	439.344476	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+2ACN+2H"	84.067652
"1590571"	879.589928	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+K+HCOOH"	84.968628
"1416232"	909.621438	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+H+CF3COOH"	115.000138
"1154182"	459.857751	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+3ACN+2H"	125.094202
"1700452"	926.647985	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+NH4+CF3COOH"	132.026685
"1647038"	931.60338	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+Na+CF3COOH"	136.98208
"1572848"	947.57732	"C01967"	"Ubiquinone-9;Ubiquinone-45;Coenzyme Q(9)"	"C54H82O4"	"794.6213"	"M+K+CF3COOH"	152.95602
"811965"	764.7199	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M"	0
"975656"	745.70151	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-H2O-H"	-19.01839
"67179"	508.805990666667	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M-3H"	-3.021828
"510019"	763.712624	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M-3H"	-3.021828
"895246"	253.899357333333	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-3H"	-3.021828
"15238"	763.712624	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M-2H"	-2.014552
"453619"	1146.072574	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M-2H"	-2.014552
"829236"	381.352674	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-2H"	-2.014552
"88133"	1528.432524	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M-H"	-1.007276
"532068"	2293.152424	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M-H"	-1.007276
"907681"	763.712624	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-H"	-1.007276
"57685"	1545.459071	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M-2H+NH4"	16.019271
"496151"	2310.178971	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M-2H+NH4"	16.019271
"870673"	780.739171	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-2H+NH4"	16.019271
"41853"	1550.414466	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M-2H+Na"	20.974666
"473757"	2315.134366	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M-2H+Na"	20.974666
"853749"	785.694566	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-2H+Na"	20.974666
"1621828"	785.694566	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Na-2H"	20.974666
"95440"	781.700963	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M-H+Cl"	33.962126
"535001"	1164.060913	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M-H+Cl"	33.962126
"928151"	399.341013	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-H+Cl"	33.962126
"274729"	1564.409202	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+Cl"	34.969402
"666058"	2329.129102	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+Cl"	34.969402
"1274207"	799.689302	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Cl"	34.969402
"18830"	1566.388406	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M-2H+K"	36.948606
"459483"	2331.108306	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M-2H+K"	36.948606
"843847"	801.668506	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-2H+K"	36.948606
"1566245"	801.668506	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+K-2H"	36.948606
"951940"	809.718094	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-H+HCOOH"	44.998194
"365781"	1574.438001	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+HCOOH-H"	44.998201
"355134"	1588.453651	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+Hac-H"	59.013851
"1499594"	823.733751	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Hac-H"	59.013851
"964948"	831.700051	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-H+NaCOOH"	66.980151
"118232"	799.689302	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+2Cl"	69.938804
"561071"	1182.049252	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+2Cl"	69.938804
"1034247"	417.329352	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2Cl"	69.938804
"1256866"	843.638785	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Br"	78.918885
"1317734"	845.694772	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Cl+HCOOH"	80.974872
"1330493"	867.676729	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Cl+NaCOOH"	102.956829
"925563"	877.705486	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M-H+CF3COOH"	112.985586
"1300084"	913.682164	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Cl+CF3COOH"	148.962264
"1381525"	729.707224	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H-2H2O"	-35.012676
"1395378"	747.7172	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H-H2O"	-17.0027
"295790"	1530.447076	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+H"	1.007276
"688941"	2295.166976	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+H"	1.007276
"1364197"	765.727176	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H"	1.007276
"139274"	765.727176	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+2H"	2.014552
"577741"	1148.087126	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+2H"	2.014552
"1049090"	383.367226	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2H"	2.014552
"215898"	510.820542666667	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+3H"	3.021828
"649992"	765.727176	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+3H"	3.021828
"1174680"	255.913909333333	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+3H"	3.021828
"430296"	1547.473623	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+NH4"	18.033823
"798220"	2312.193523	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+NH4"	18.033823
"1690901"	782.753723	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+NH4"	18.033823
"336994"	774.2404495	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+H+NH4"	19.041099
"732695"	1156.6003995	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+H+NH4"	19.041099
"1484331"	391.8804995	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H+NH4"	19.041099
"404103"	1552.429018	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+Na"	22.989218
"767286"	2317.148918	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+Na"	22.989218
"1613194"	787.709118	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Na"	22.989218
"319950"	776.718147	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+H+Na"	23.996494
"713468"	1159.078097	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+H+Na"	23.996494
"1462916"	394.358197	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H+Na"	23.996494
"1054700"	263.241223333333	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2H+Na"	25.00377
"1257081"	797.753386	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+CH3OH+H"	33.033486
"379696"	1568.402958	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+K"	38.963158
"739600"	2333.122858	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+K"	38.963158
"1542744"	803.683058	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+K"	38.963158
"301015"	784.705117	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+H+K"	39.970434
"697810"	1167.065067	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+H+K"	39.970434
"1450537"	402.345167	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H+K"	39.970434
"247888"	1571.473626	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+ACN+H"	42.033826
"1222420"	806.753726	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+ACN+H"	42.033826
"1203385"	403.880501	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+ACN+2H"	43.041102
"199535"	1574.41096	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+2Na-H"	44.97116
"643004"	2339.13086	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+2Na-H"	44.97116
"1142616"	809.69106	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2Na-H"	44.97116
"186273"	787.709118	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+2Na"	45.978436
"622186"	1170.069068	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+2Na"	45.978436
"1125691"	405.349168	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2Na"	45.978436
"1411401"	270.568537333333	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H+2Na"	46.985712
"1440240"	811.732646	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H+HCOOH"	47.012746
"234921"	792.74214	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+3H2O+2H"	56.04448
"1523711"	825.78469	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+IsoProp+H"	61.06479
"423393"	795.696088	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+Na+K"	61.952376
"783049"	1178.056038	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+Na+K"	61.952376
"1673912"	413.336138	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Na+K"	61.952376
"260436"	1593.455568	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+ACN+Na"	64.015768
"1235331"	828.735668	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+ACN+Na"	64.015768
"1720936"	828.759193	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+NH4+HCOOH"	64.039293
"1188476"	277.895851333333	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+3Na"	68.967654
"1658734"	833.714588	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Na+HCOOH"	68.994688
"164138"	1606.35884	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+2K-H"	76.91904
"605883"	2371.07874	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+2K-H"	76.91904
"1091854"	841.63894	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2K-H"	76.91904
"149402"	803.683058	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"2M+2K"	77.926316
"585682"	1186.043008	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"3M+2K"	77.926316
"1073474"	421.323108	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2K"	77.926316
"1106686"	843.653492	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2K+H"	78.933592
"1339789"	843.741107	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+DMSO+H"	79.021207
"1007226"	847.780276	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2ACN+H"	83.060376
"1531918"	848.773908	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+IsoProp+Na+H"	84.054008
"995082"	424.393776	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+2ACN+2H"	84.067652
"1591774"	849.688528	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+K+HCOOH"	84.968628
"1416342"	879.720038	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+H+CF3COOH"	115.000138
"1153199"	444.907051	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+3ACN+2H"	125.094202
"1700562"	896.746585	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+NH4+CF3COOH"	132.026685
"1640588"	901.70198	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+Na+CF3COOH"	136.98208
"1572958"	917.67592	"C01968"	"Undecaprenol"	"C56H92"	"764.7199"	"M+K+CF3COOH"	152.95602
"812076"	423.0703	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M"	0
"982328"	404.05191	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-H2O-H"	-19.01839
"67289"	281.039590666667	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M-3H"	-3.021828
"506849"	422.063024	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M-3H"	-3.021828
"886843"	140.016157333333	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-3H"	-3.021828
"15023"	422.063024	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M-2H"	-2.014552
"452637"	633.598174	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M-2H"	-2.014552
"831047"	210.527874	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-2H"	-2.014552
"88243"	845.133324	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M-H"	-1.007276
"525616"	1268.203624	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M-H"	-1.007276
"907791"	422.063024	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-H"	-1.007276
"54515"	862.159871	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M-2H+NH4"	16.019271
"496261"	1285.230171	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M-2H+NH4"	16.019271
"870783"	439.089571	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-2H+NH4"	16.019271
"38682"	867.115266	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M-2H+Na"	20.974666
"476783"	1290.185566	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M-2H+Na"	20.974666
"854223"	444.044966	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-2H+Na"	20.974666
"1621574"	444.044966	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Na-2H"	20.974666
"95916"	440.051363	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M-H+Cl"	33.962126
"535475"	651.586513	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M-H+Cl"	33.962126
"927894"	228.516213	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-H+Cl"	33.962126
"272653"	881.110002	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+Cl"	34.969402
"663982"	1304.180302	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+Cl"	34.969402
"1273831"	458.039702	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Cl"	34.969402
"18940"	883.089206	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M-2H+K"	36.948606
"458500"	1306.159506	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M-2H+K"	36.948606
"838490"	460.018906	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-2H+K"	36.948606
"1557971"	460.018906	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+K-2H"	36.948606
"948769"	468.068494	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-H+HCOOH"	44.998194
"365892"	891.138801	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+HCOOH-H"	44.998201
"354151"	905.154451	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+Hac-H"	59.013851
"1501890"	482.084151	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Hac-H"	59.013851
"968338"	490.050451	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-H+NaCOOH"	66.980151
"123804"	458.039702	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+2Cl"	69.938804
"560087"	669.574852	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+2Cl"	69.938804
"1034357"	246.504552	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2Cl"	69.938804
"1255030"	501.989185	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Br"	78.918885
"1318572"	504.045172	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Cl+HCOOH"	80.974872
"1330604"	526.027129	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Cl+NaCOOH"	102.956829
"923848"	536.055886	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M-H+CF3COOH"	112.985586
"1303472"	572.032564	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Cl+CF3COOH"	148.962264
"1381999"	388.057624	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H-2H2O"	-35.012676
"1394758"	406.0676	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H-H2O"	-17.0027
"296266"	847.147876	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+H"	1.007276
"687961"	1270.218176	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+H"	1.007276
"1365039"	424.077576	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H"	1.007276
"139383"	424.077576	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+2H"	2.014552
"576761"	635.612726	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+2H"	2.014552
"1049200"	212.542426	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2H"	2.014552
"213821"	283.054142666667	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+3H"	3.021828
"645847"	424.077576	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+3H"	3.021828
"1172602"	142.030709333333	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+3H"	3.021828
"432593"	864.174423	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+NH4"	18.033823
"799787"	1287.244723	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+NH4"	18.033823
"1689920"	441.104123	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+NH4"	18.033823
"336011"	432.5908495	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+H+NH4"	19.041099
"730621"	644.1259995	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+H+NH4"	19.041099
"1486626"	221.0556995	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H+NH4"	19.041099
"402026"	869.129818	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+Na"	22.989218
"769460"	1292.200118	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+Na"	22.989218
"1611117"	446.059518	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Na"	22.989218
"323342"	435.068547	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+H+Na"	23.996494
"715765"	646.603697	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+H+Na"	23.996494
"1465211"	223.533397	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H+Na"	23.996494
"1056634"	149.358023333333	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2H+Na"	25.00377
"1260499"	456.103786	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+CH3OH+H"	33.033486
"380897"	885.103758	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+K"	38.963158
"740436"	1308.174058	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+K"	38.963158
"1541397"	462.033458	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+K"	38.963158
"301490"	443.055517	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+H+K"	39.970434
"695734"	654.590667	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+H+K"	39.970434
"1450648"	231.520367	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H+K"	39.970434
"243624"	888.174426	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+ACN+H"	42.033826
"1223504"	465.104126	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+ACN+H"	42.033826
"1201311"	233.055701	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+ACN+2H"	43.041102
"200739"	891.11176	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+2Na-H"	44.97116
"641896"	1314.18206	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+2Na-H"	44.97116
"1142726"	468.04146	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2Na-H"	44.97116
"187237"	446.059518	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+2Na"	45.978436
"622296"	657.594668	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+2Na"	45.978436
"1125801"	234.524368	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2Na"	45.978436
"1411511"	156.685337333333	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H+2Na"	46.985712
"1440350"	470.083046	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H+HCOOH"	47.012746
"235514"	451.09254	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+3H2O+2H"	56.04448
"1523454"	484.13509	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+IsoProp+H"	61.06479
"419977"	454.046488	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+Na+K"	61.952376
"784376"	665.581638	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+Na+K"	61.952376
"1678396"	242.511338	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Na+K"	61.952376
"258360"	910.156368	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+ACN+Na"	64.015768
"1232889"	487.086068	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+ACN+Na"	64.015768
"1719953"	487.109593	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+NH4+HCOOH"	64.039293
"1186763"	164.012651333333	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+3Na"	68.967654
"1657749"	492.064988	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Na+HCOOH"	68.994688
"163156"	923.05964	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+2K-H"	76.91904
"605993"	1346.12994	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+2K-H"	76.91904
"1091964"	499.98934	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2K-H"	76.91904
"149150"	462.033458	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"2M+2K"	77.926316
"584699"	673.568608	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"3M+2K"	77.926316
"1073584"	250.498308	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2K"	77.926316
"1105700"	502.003892	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2K+H"	78.933592
"1340993"	502.091507	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+DMSO+H"	79.021207
"1009523"	506.130676	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2ACN+H"	83.060376
"1532028"	507.124308	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+IsoProp+Na+H"	84.054008
"993006"	253.568976	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+2ACN+2H"	84.067652
"1590791"	508.038928	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+K+HCOOH"	84.968628
"1417545"	538.070438	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+H+CF3COOH"	115.000138
"1152215"	274.082251	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+3ACN+2H"	125.094202
"1697392"	555.096985	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+NH4+CF3COOH"	132.026685
"1641790"	560.05238	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+Na+CF3COOH"	136.98208
"1571976"	576.02632	"C01969"	"Xanthommatin"	"C20H13N3O8"	"423.0703"	"M+K+CF3COOH"	152.95602
"812185"	342.1162	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M"	0
"982438"	323.09781	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"67399"	227.070190666667	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"506959"	341.108924	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"884766"	113.031457333333	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"3339"	341.108924	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"447277"	512.167024	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"826173"	170.050824	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"89446"	683.225124	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"525726"	1025.341324	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"903526"	341.108924	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"54625"	700.251671	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"496371"	1042.367871	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"870893"	358.135471	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"38792"	705.207066	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"476893"	1047.323266	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"854333"	363.090866	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1621320"	363.090866	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"96755"	359.097263	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"535586"	530.155363	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"928734"	188.039163	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"270576"	719.201802	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"664092"	1061.318002	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1273211"	377.085602	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"19049"	721.181006	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"459703"	1063.297206	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"838600"	379.064806	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1557717"	379.064806	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"946692"	387.114394	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"366000"	729.230601	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"349887"	743.246251	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1498720"	401.130051	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"966260"	409.096351	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"120634"	377.085602	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"562384"	548.143702	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1034466"	206.027502	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1255502"	421.035085	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1318316"	423.091072	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1334357"	445.073029	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"926143"	455.101786	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1303459"	491.078464	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1381013"	307.103524	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1395230"	325.1135	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"294917"	685.239676	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"688432"	1027.355876	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1365876"	343.123476	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"141222"	343.123476	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"580509"	514.181576	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1051133"	172.065376	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"217211"	229.084742666667	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"649119"	343.123476	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1174899"	115.046009333333	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"432703"	702.266223	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"798802"	1044.382423	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1691123"	360.150023	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"338308"	351.6367495	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"731823"	522.6948495	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1484550"	180.5786495	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"403228"	707.221618	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"767501"	1049.337818	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1613413"	365.105418	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"323452"	354.114447	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"718061"	525.172547	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1466414"	183.056347	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1058566"	122.373323333333	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1261338"	375.149686	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"384287"	723.195558	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"742369"	1065.311758	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1542236"	381.079358	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"302329"	362.101417	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"699124"	533.159517	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1451851"	191.043317	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"245919"	726.266226	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1223004"	384.150026	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1203608"	192.578651	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"197568"	729.20356	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"641155"	1071.31976	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1140650"	387.08736	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"187102"	365.105418	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"622042"	536.163518	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1125911"	194.047318	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1411621"	129.700637333333	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1441553"	389.128946	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"233799"	370.13844	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1521131"	403.18099	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"418994"	373.092388	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"785378"	544.150488	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1677414"	202.034288	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"259561"	748.248168	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1234457"	406.131968	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1718605"	406.155493	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1186873"	137.027951333333	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1658588"	411.110888	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"164356"	761.15144	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"607196"	1103.26764	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1089525"	419.03524	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"150353"	381.079358	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"586995"	552.137458	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1070413"	210.021258	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1105810"	421.049792	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1340010"	421.137407	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1007447"	425.176576	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1532138"	426.170208	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"991414"	213.091926	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1589807"	427.084828	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1417655"	457.116338	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1151232"	233.605201	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1698595"	474.142885	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1640807"	479.09828	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1572086"	495.07222	"C01970"	"beta-Lactose;beta-D-Lactose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"812295"	342.1162	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M"	0
"982548"	323.09781	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"69696"	227.070190666667	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"508162"	341.108924	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"887063"	113.031457333333	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"3449"	341.108924	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443377"	512.167024	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"824095"	170.050824	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"86275"	683.225124	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"524742"	1025.341324	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"903636"	341.108924	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"55827"	700.251671	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"496481"	1042.367871	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"873189"	358.135471	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"35986"	705.207066	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"474087"	1047.323266	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"850914"	363.090866	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1621426"	363.090866	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"96863"	359.097263	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"535330"	530.155363	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"929210"	188.039163	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"270686"	719.201802	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"666388"	1061.318002	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1274414"	377.085602	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"17700"	721.181006	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"463093"	1063.297206	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"841990"	379.064806	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1558191"	379.064806	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"945343"	387.114394	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"364287"	729.230601	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"349630"	743.246251	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1499923"	401.130051	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"963454"	409.096351	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"119651"	377.085602	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"561398"	548.143702	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1030197"	206.027502	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1253059"	421.035085	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1318424"	423.091072	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1334830"	445.073029	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"925525"	455.101786	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1303569"	491.078464	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1380030"	307.103524	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1394975"	325.1135	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"292840"	685.239676	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"685262"	1027.355876	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1363797"	343.123476	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"137777"	343.123476	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"577339"	514.181576	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1047233"	172.065376	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"211853"	229.084742666667	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"650684"	343.123476	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1163706"	115.046009333333	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"427343"	702.266223	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"793808"	1044.382423	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1687223"	360.150023	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"332219"	351.6367495	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"725370"	522.6948495	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1480284"	180.5786495	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"401154"	707.221618	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"761054"	1049.337818	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1609150"	365.105418	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"315784"	354.114447	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"713797"	525.172547	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1468710"	183.056347	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1057947"	122.373323333333	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1257435"	375.149686	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"377954"	723.195558	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"742113"	1065.311758	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1541613"	381.079358	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"299398"	362.101417	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"692065"	533.159517	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1446247"	191.043317	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"241656"	726.266226	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1219831"	384.150026	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1198252"	192.578651	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"192211"	729.20356	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"642721"	1071.31976	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1142946"	387.08736	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"187210"	365.105418	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"622516"	536.163518	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1126021"	194.047318	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1411731"	129.700637333333	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1436196"	389.128946	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"232450"	370.13844	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1518324"	403.18099	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"419104"	373.092388	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"784838"	544.150488	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1675336"	202.034288	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"259671"	748.248168	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1232744"	406.131968	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1717985"	406.155493	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1187711"	137.027951333333	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1657604"	411.110888	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"163374"	761.15144	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"605122"	1103.26764	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1087449"	419.03524	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"148641"	381.079358	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"583826"	552.137458	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1069184"	210.021258	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1101790"	421.049792	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1340120"	421.137407	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1007557"	425.176576	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1531155"	426.170208	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"991281"	213.091926	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1589917"	427.084828	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1417765"	457.116338	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1151342"	233.605201	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1698705"	474.142885	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1640917"	479.09828	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1572196"	495.07222	"C01971"	"beta-Maltose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"806939"	152.0473	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M"	0
"979379"	133.02891	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"68717"	100.357590666667	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"508275"	151.040024	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"883894"	49.6751573333333	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"11219"	151.040024	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"450779"	227.063674	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"825300"	75.016374	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"85293"	303.087324	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"522666"	455.134624	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"902654"	151.040024	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"55937"	320.113871	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"488933"	472.161171	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"867466"	168.066571	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"37927"	325.069266	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"475297"	477.116566	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"851279"	173.021966	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1620567"	173.021966	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"109739"	169.028363	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"549912"	245.052013	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"935522"	93.004713	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"272985"	339.064002	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"667594"	491.111302	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1286562"	187.016702	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"24745"	341.043206	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"467586"	493.090506	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"838826"	188.995906	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1560126"	188.995906	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"948373"	197.045494	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"366587"	349.092801	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"352294"	363.108451	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1498211"	211.061151	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"966484"	219.027451	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"112838"	187.016702	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"552764"	263.040352	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1027030"	110.993052	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1244422"	230.966185	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1309057"	233.022172	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1330929"	255.004129	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"925633"	265.032886	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1303072"	301.009564	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1377954"	117.034624	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1393262"	135.0446	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"288576"	305.101876	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"679906"	457.149176	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1352967"	153.054576	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"131328"	153.054576	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"576354"	229.078226	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1049528"	77.030926	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"214146"	102.372142666667	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"652614"	153.054576	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1170741"	51.6897093333333	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"432919"	322.128423	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"793917"	474.175723	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1693527"	170.081123	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"342902"	161.5678495	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"733135"	237.5914995	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1485857"	85.5441995	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"396883"	327.083818	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"756786"	479.131118	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1608165"	175.036518	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"316020"	164.045547	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"708441"	240.069197	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1463720"	88.021897	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1057694"	59.0170233333333	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1258404"	185.080786	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"378676"	343.057758	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"742221"	495.105058	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1541727"	191.010458	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"299998"	172.032517	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"692416"	248.056167	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1452073"	96.008867	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"237758"	346.128426	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1224703"	194.081126	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1209192"	97.544201	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"204087"	349.06576	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"639553"	501.11306	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1143056"	197.01846	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"179786"	175.036518	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"618250"	251.060168	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1128321"	99.012868	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1407470"	66.3443373333333	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1436305"	199.060046	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"227094"	180.06954	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1514059"	213.11209	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"414839"	183.023488	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"776564"	259.047138	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1673265"	106.999838	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"256502"	368.110368	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1232491"	216.063068	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1722467"	216.086593	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1191101"	73.6716513333333	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1660995"	221.041988	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"168951"	381.01364	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"605231"	533.06094	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1090838"	228.96634	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"148749"	191.010458	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"585028"	267.034108	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1069897"	114.986808	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1101168"	230.980892	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1336210"	231.068507	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1007669"	235.107676	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1525546"	236.101308	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"991637"	118.057476	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1588937"	237.015928	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1417877"	267.047438	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1147926"	138.570751	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1699910"	284.073985	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1637750"	289.02938	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1572307"	305.00332	"C01983"	"(R)-Mandelate;(R)-2-Hydroxy-2-phenylacetic acid;(R)-2-Hydroxy-2-phenylacetate;(R)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"803769"	152.0473	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M"	0
"976211"	133.02891	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"66640"	100.357590666667	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"504012"	151.040024	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"884004"	49.6751573333333	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"8050"	151.040024	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"450890"	227.063674	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"824317"	75.016374	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"81391"	303.087324	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"520220"	455.134624	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"897294"	151.040024	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"49117"	320.113871	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"491593"	472.161171	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"865387"	168.066571	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"38037"	325.069266	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"478690"	477.116566	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"851753"	173.021966	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1620191"	173.021966	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"108025"	169.028363	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"548680"	245.052013	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"935632"	93.004713	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"272002"	339.064002	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"668797"	491.111302	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1282300"	187.016702	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"25949"	341.043206	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"464416"	493.090506	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"837477"	188.995906	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1560600"	188.995906	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"947755"	197.045494	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"364146"	349.092801	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"349487"	363.108451	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1496497"	211.061151	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"959537"	219.027451	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"112946"	187.016702	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"551049"	263.040352	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1024222"	110.993052	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1246717"	230.966185	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1310260"	233.022172	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1323383"	255.004129	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"916630"	265.032886	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1300992"	301.009564	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1376969"	117.034624	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1387904"	135.0446	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"293062"	305.101876	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"682568"	457.149176	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1357459"	153.054576	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"133626"	153.054576	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"570998"	229.078226	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1043078"	77.030926	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"208793"	102.372142666667	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"652728"	153.054576	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1170851"	51.6897093333333	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"430843"	322.128423	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"794027"	474.175723	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1690357"	170.081123	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"343012"	161.5678495	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"736160"	237.5914995	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1484876"	85.5441995	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"399181"	327.083818	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"756896"	479.131118	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1607181"	175.036518	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"315279"	164.045547	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"708672"	240.069197	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1463588"	88.021897	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1054525"	59.0170233333333	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1258751"	185.080786	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"379513"	343.057758	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"740147"	495.105058	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1542199"	191.010458	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"303751"	172.032517	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"692893"	248.056167	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1446711"	96.008867	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"238960"	346.128426	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1223348"	194.081126	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1206138"	97.544201	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"200102"	349.06576	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"639660"	501.11306	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1139886"	197.01846	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"178799"	175.036518	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"620546"	251.060168	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1120772"	99.012868	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1401745"	66.3443373333333	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1437506"	199.060046	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"234491"	180.06954	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1515263"	213.11209	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"413856"	183.023488	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"774488"	259.047138	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1674470"	106.999838	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"254427"	368.110368	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1232602"	216.063068	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1719300"	216.086593	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1189026"	73.6716513333333	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1658918"	221.041988	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"166875"	381.01364	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"602064"	533.06094	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1090949"	228.96634	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"149954"	191.010458	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"588422"	267.034108	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1071838"	114.986808	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1100420"	230.980892	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1335833"	231.068507	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1007779"	235.107676	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1525173"	236.101308	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"993815"	118.057476	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1592327"	237.015928	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1420174"	267.047438	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1150470"	138.570751	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1698923"	284.073985	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1635673"	289.02938	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1573510"	305.00332	"C01984"	"(S)-Mandelate;(S)-2-Hydroxy-2-phenylacetic acid;(S)-2-Hydroxy-2-phenylacetate;(S)-Mandelic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"809349"	290.2246	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M"	0
"982883"	271.20621	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"68938"	192.475790666667	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"513969"	289.217324	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"883025"	95.7342573333333	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"7067"	289.217324	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"450999"	434.329624	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"827709"	144.105024	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"82233"	579.441924	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"521794"	869.666524	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"896676"	289.217324	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"49223"	596.468471	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"494625"	886.693071	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"868061"	306.243871	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"41428"	601.423866	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"483176"	891.648466	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"851136"	311.199266	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1633308"	311.199266	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"109392"	307.205663	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"548667"	452.317963	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"939023"	162.093363	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"279403"	615.418602	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"668914"	905.643202	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1276939"	325.194002	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"20590"	617.397806	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"459057"	907.622406	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"835400"	327.173206	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1562534"	327.173206	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"947138"	335.222794	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"364259"	625.447401	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"349233"	639.463051	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1493327"	349.238451	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"960501"	357.204751	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"112329"	325.194002	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"550428"	470.306302	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1021779"	180.081702	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1245735"	369.143485	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1305267"	371.199472	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1323493"	393.181429	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"916740"	403.210186	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1297823"	439.186864	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1377080"	255.211924	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1390204"	273.2219	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"292079"	581.456476	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"682315"	871.681076	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1357566"	291.231876	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"129360"	291.231876	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"568920"	436.344176	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1048655"	146.119576	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"207080"	194.490342666667	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"652834"	291.231876	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1172055"	97.7488093333333	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"430952"	598.483023	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"793043"	888.707623	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1692654"	308.258423	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"343121"	299.7451495	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"731165"	444.8574495	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1486080"	154.6328495	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"402573"	603.438418	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"760287"	893.663018	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1604015"	313.213818	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"314698"	302.222847	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"707568"	447.335147	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1462847"	157.110547	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1054633"	105.076123333333	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1257048"	323.258086	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"377233"	619.412358	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"740625"	909.636958	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1543772"	329.187758	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"299856"	310.209817	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"694827"	455.322117	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1451198"	165.097517	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"248562"	622.483026	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1225282"	332.258426	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1204791"	166.632851	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"200214"	625.42036	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"638680"	915.64496	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1145585"	335.19576	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"182191"	313.213818	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"620657"	458.326118	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1125256"	168.101518	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1408780"	112.403437333333	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1438711"	337.237346	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"224031"	318.24684	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1513186"	351.28939	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"412875"	321.200788	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"777889"	466.313088	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1673488"	176.088488	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"258913"	644.464968	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1230889"	354.240368	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1719408"	354.263893	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1186948"	119.730751333333	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1655017"	359.219288	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"161880"	657.36824	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"599741"	947.59284	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1087778"	367.14364	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"149702"	329.187758	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"581964"	474.300058	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1069156"	184.075458	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1100907"	369.158192	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1342644"	369.245807	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1008133"	373.284976	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1527115"	374.278608	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"994655"	187.146126	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1593532"	375.193228	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1424668"	405.224738	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1159329"	207.659401	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1706694"	422.251285	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1644532"	427.20668	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1572530"	443.18062	"C01986"	"16-Oxosteroid"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"814926"	109.0528	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M"	0
"985909"	90.03441	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-H2O-H"	-19.01839
"69048"	71.6945906666667	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M-3H"	-3.021828
"514079"	108.045524	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M-3H"	-3.021828
"884230"	35.3436573333333	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-3H"	-3.021828
"3898"	108.045524	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M-2H"	-2.014552
"448924"	162.571924	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M-2H"	-2.014552
"822351"	53.519124	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-2H"	-2.014552
"82343"	217.098324	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M-H"	-1.007276
"521174"	326.151124	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M-H"	-1.007276
"896901"	108.045524	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-H"	-1.007276
"49336"	234.124871	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M-2H+NH4"	16.019271
"491452"	343.177671	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M-2H+NH4"	16.019271
"867076"	125.072071	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-2H+NH4"	16.019271
"34977"	239.080266	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M-2H+Na"	20.974666
"476724"	348.133066	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M-2H+Na"	20.974666
"861087"	130.027466	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-2H+Na"	20.974666
"1632809"	130.027466	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Na-2H"	20.974666
"109704"	126.033863	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M-H+Cl"	33.962126
"547805"	180.560263	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M-H+Cl"	33.962126
"938040"	71.507463	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-H+Cl"	33.962126
"276597"	253.075002	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+Cl"	34.969402
"669024"	362.127802	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+Cl"	34.969402
"1280330"	144.022202	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Cl"	34.969402
"18512"	255.054206	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M-2H+K"	36.948606
"457707"	364.107006	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M-2H+K"	36.948606
"833442"	146.001406	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-2H+K"	36.948606
"1555788"	146.001406	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+K-2H"	36.948606
"942845"	154.050994	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-H+HCOOH"	44.998194
"361811"	263.103801	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+HCOOH-H"	44.998201
"345696"	277.119451	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+Hac-H"	59.013851
"1493799"	168.066651	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Hac-H"	59.013851
"959154"	176.032951	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-H+NaCOOH"	66.980151
"109996"	144.022202	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+2Cl"	69.938804
"550170"	198.548602	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+2Cl"	69.938804
"1021391"	89.495802	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2Cl"	69.938804
"1241383"	187.971685	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Br"	78.918885
"1304722"	190.027672	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Cl+HCOOH"	80.974872
"1324695"	212.009629	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Cl+NaCOOH"	102.956829
"911616"	222.038386	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M-H+CF3COOH"	112.985586
"1289180"	258.015064	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Cl+CF3COOH"	148.962264
"1373907"	74.040124	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H-2H2O"	-35.012676
"1387396"	92.0501	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H-H2O"	-17.0027
"287812"	219.112876	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+H"	1.007276
"681329"	328.165676	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+H"	1.007276
"1352940"	110.060076	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H"	1.007276
"129836"	110.060076	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+2H"	2.014552
"569035"	164.586476	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+2H"	2.014552
"1045484"	55.533676	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2H"	2.014552
"206098"	73.7091426666667	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+3H"	3.021828
"646020"	110.060076	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+3H"	3.021828
"1167790"	37.3582093333333	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+3H"	3.021828
"427783"	236.139423	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+NH4"	18.033823
"790965"	345.192223	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+NH4"	18.033823
"1688388"	127.086623	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+NH4"	18.033823
"337761"	118.5733495	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+H+NH4"	19.041099
"730181"	173.0997495	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+H+NH4"	19.041099
"1484003"	64.0469495	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H+NH4"	19.041099
"398307"	241.094818	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+Na"	22.989218
"758209"	350.147618	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+Na"	22.989218
"1604733"	132.042018	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Na"	22.989218
"315741"	121.051047	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+H+Na"	23.996494
"707676"	175.577447	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+H+Na"	23.996494
"1461819"	66.524647	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H+Na"	23.996494
"1055838"	44.6855233333333	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2H+Na"	25.00377
"1258246"	142.086286	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+CH3OH+H"	33.033486
"378153"	257.068758	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+K"	38.963158
"740004"	366.121558	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+K"	38.963158
"1541693"	148.015958	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+K"	38.963158
"299601"	129.038017	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+H+K"	39.970434
"693844"	183.564417	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+H+K"	39.970434
"1450215"	74.511617	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H+K"	39.970434
"249400"	260.139426	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+ACN+H"	42.033826
"1222476"	151.086626	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+ACN+H"	42.033826
"1205265"	76.046951	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+ACN+2H"	43.041102
"199231"	263.07676	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+2Na-H"	44.97116
"638789"	372.12956	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+2Na-H"	44.97116
"1144844"	154.02396	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2Na-H"	44.97116
"179021"	132.042018	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+2Na"	45.978436
"618579"	186.568418	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+2Na"	45.978436
"1123179"	77.515618	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2Na"	45.978436
"1408890"	52.0128373333333	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H+2Na"	46.985712
"1438457"	156.065546	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H+HCOOH"	47.012746
"225236"	137.07504	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+3H2O+2H"	56.04448
"1512204"	170.11759	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+IsoProp+H"	61.06479
"411892"	140.028988	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+Na+K"	61.952376
"776177"	194.555388	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+Na+K"	61.952376
"1675056"	85.502588	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Na+K"	61.952376
"260116"	282.121368	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+ACN+Na"	64.015768
"1230270"	173.068568	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+ACN+Na"	64.015768
"1720976"	173.092093	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+NH4+HCOOH"	64.039293
"1185964"	59.3401513333333	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+3Na"	68.967654
"1654764"	178.047488	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Na+HCOOH"	68.994688
"160168"	295.02464	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+2K-H"	76.91904
"601189"	404.07744	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+2K-H"	76.91904
"1087889"	185.97184	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2K-H"	76.91904
"148719"	148.015958	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"2M+2K"	77.926316
"581956"	202.542358	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"3M+2K"	77.926316
"1069261"	93.489558	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2K"	77.926316
"1101015"	187.986392	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2K+H"	78.933592
"1339474"	188.074007	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+DMSO+H"	79.021207
"1006297"	192.113176	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2ACN+H"	83.060376
"1528318"	193.106808	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+IsoProp+Na+H"	84.054008
"994765"	96.560226	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+2ACN+2H"	84.067652
"1592550"	194.021428	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+K+HCOOH"	84.968628
"1424778"	224.052938	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+H+CF3COOH"	115.000138
"1156159"	117.073501	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+3ACN+2H"	125.094202
"1703524"	241.079485	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+NH4+CF3COOH"	132.026685
"1644642"	246.03488	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+Na+CF3COOH"	136.98208
"1573733"	262.00882	"C01987"	"2-Aminophenol;2-Hydroxyaniline;2-Aminobenzenol;o-Aminophenol"	"C6H7NO"	"109.0528"	"M+K+CF3COOH"	152.95602
"812848"	139.0269	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M"	0
"979822"	120.00851	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-H2O-H"	-19.01839
"72438"	91.677324	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M-3H"	-3.021828
"509810"	138.019624	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M-3H"	-3.021828
"883247"	45.335024	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-3H"	-3.021828
"4008"	138.019624	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M-2H"	-2.014552
"449034"	207.533074	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M-2H"	-2.014552
"825741"	68.506174	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-2H"	-2.014552
"86827"	277.046524	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M-H"	-1.007276
"523107"	416.073424	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M-H"	-1.007276
"900173"	138.019624	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-H"	-1.007276
"50176"	294.073071	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M-2H+NH4"	16.019271
"491562"	433.099971	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M-2H+NH4"	16.019271
"867186"	155.046171	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-2H+NH4"	16.019271
"36180"	299.028466	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M-2H+Na"	20.974666
"476834"	438.055366	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M-2H+Na"	20.974666
"860104"	160.001566	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-2H+Na"	20.974666
"1631826"	160.001566	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Na-2H"	20.974666
"108965"	156.007963	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M-H+Cl"	33.962126
"545729"	225.521413	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M-H+Cl"	33.962126
"937057"	86.494513	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-H+Cl"	33.962126
"273427"	313.023202	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+Cl"	34.969402
"669134"	452.050102	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+Cl"	34.969402
"1279347"	173.996302	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Cl"	34.969402
"19715"	315.002406	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M-2H+K"	36.948606
"458181"	454.029306	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M-2H+K"	36.948606
"834889"	175.975506	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-2H+K"	36.948606
"1557284"	175.975506	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+K-2H"	36.948606
"948447"	184.025094	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-H+HCOOH"	44.998194
"363017"	323.052001	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+HCOOH-H"	44.998201
"345960"	337.067651	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+Hac-H"	59.013851
"1495732"	198.040751	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Hac-H"	59.013851
"959138"	206.007051	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-H+NaCOOH"	66.980151
"110069"	173.996302	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+2Cl"	69.938804
"551495"	243.509752	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+2Cl"	69.938804
"1022724"	104.482852	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2Cl"	69.938804
"1242303"	217.945785	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Br"	78.918885
"1305482"	220.001772	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Cl+HCOOH"	80.974872
"1321519"	241.983729	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Cl+NaCOOH"	102.956829
"912214"	252.012486	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M-H+CF3COOH"	112.985586
"1289899"	287.989164	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Cl+CF3COOH"	148.962264
"1370737"	104.014224	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H-2H2O"	-35.012676
"1388236"	122.0242	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H-H2O"	-17.0027
"286099"	279.061076	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+H"	1.007276
"678522"	418.087976	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+H"	1.007276
"1354872"	140.034176	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H"	1.007276
"135047"	140.034176	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+2H"	2.014552
"571329"	209.547626	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+2H"	2.014552
"1044500"	70.520726	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2H"	2.014552
"209121"	93.691876	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+3H"	3.021828
"647953"	140.034176	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+3H"	3.021828
"1167173"	47.349576	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+3H"	3.021828
"430079"	296.087623	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+NH4"	18.033823
"792169"	435.114523	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+NH4"	18.033823
"1687406"	157.060723	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+NH4"	18.033823
"338962"	148.5474495	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+H+NH4"	19.041099
"729197"	218.0608995	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+H+NH4"	19.041099
"1483019"	79.0339995	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H+NH4"	19.041099
"397322"	301.043018	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+Na"	22.989218
"755403"	440.069918	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+Na"	22.989218
"1605330"	162.016118	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Na"	22.989218
"315243"	151.025147	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+H+Na"	23.996494
"709367"	220.538597	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+H+Na"	23.996494
"1461605"	81.511697	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H+Na"	23.996494
"1054490"	54.67689	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2H+Na"	25.00377
"1259814"	172.060386	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+CH3OH+H"	33.033486
"380942"	317.016958	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+K"	38.963158
"741574"	456.043858	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+K"	38.963158
"1542532"	177.990058	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+K"	38.963158
"301897"	159.012117	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+H+K"	39.970434
"695776"	228.525567	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+H+K"	39.970434
"1449232"	89.498667	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H+K"	39.970434
"247687"	320.087626	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+ACN+H"	42.033826
"1219304"	181.060726	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+ACN+H"	42.033826
"1204282"	91.034001	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+ACN+2H"	43.041102
"196061"	323.02496	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+2Na-H"	44.97116
"641813"	462.05186	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+2Na-H"	44.97116
"1140214"	183.99806	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2Na-H"	44.97116
"179131"	162.016118	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+2Na"	45.978436
"618324"	231.529568	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+2Na"	45.978436
"1119642"	92.502668	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2Na"	45.978436
"1403532"	62.004204	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H+2Na"	46.985712
"1435648"	186.039646	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H+HCOOH"	47.012746
"222793"	167.04914	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+3H2O+2H"	56.04448
"1511221"	200.09169	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+IsoProp+H"	61.06479
"411273"	170.003088	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+Na+K"	61.952376
"775192"	239.516538	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+Na+K"	61.952376
"1673708"	100.489638	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Na+K"	61.952376
"259133"	342.069568	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+ACN+Na"	64.015768
"1229286"	203.042668	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+ACN+Na"	64.015768
"1719628"	203.066193	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+NH4+HCOOH"	64.039293
"1184982"	69.331518	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+3Na"	68.967654
"1653782"	208.021588	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Na+HCOOH"	68.994688
"159551"	354.97284	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+2K-H"	76.91904
"600206"	493.99974	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+2K-H"	76.91904
"1091279"	215.94594	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2K-H"	76.91904
"149922"	177.990058	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"2M+2K"	77.926316
"581617"	247.503508	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"3M+2K"	77.926316
"1069861"	108.476608	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2K"	77.926316
"1102219"	217.960492	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2K+H"	78.933592
"1340677"	218.048107	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+DMSO+H"	79.021207
"1008110"	222.087276	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2ACN+H"	83.060376
"1529522"	223.080908	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+IsoProp+Na+H"	84.054008
"992689"	111.547276	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+2ACN+2H"	84.067652
"1591567"	223.995528	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+K+HCOOH"	84.968628
"1425982"	254.027038	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+H+CF3COOH"	115.000138
"1159549"	132.060551	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+3ACN+2H"	125.094202
"1703634"	271.053585	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+NH4+CF3COOH"	132.026685
"1648032"	276.00898	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+Na+CF3COOH"	136.98208
"1582591"	291.98292	"C01988"	"2-Nitrophenol;o-Nitrophenol"	"C6H5NO3"	"139.0269"	"M+K+CF3COOH"	152.95602
"806398"	162.0528	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M"	0
"979932"	143.03441	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"72548"	107.027924	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"511014"	161.045524	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"894290"	53.010324	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"11772"	161.045524	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"451330"	242.071924	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"825851"	80.019124	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"88030"	323.098324	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"523217"	485.151124	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"897733"	161.045524	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"51380"	340.124871	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"490944"	502.177671	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"871669"	178.072071	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"36290"	345.080266	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"483504"	507.133066	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"862401"	183.027466	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1632301"	183.027466	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"108832"	179.033863	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"549000"	260.060263	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"939353"	98.007463	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"277911"	359.075002	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"669246"	521.127802	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1282737"	197.022202	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"27480"	361.054206	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"461571"	523.107006	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"837187"	199.001406	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1558488"	199.001406	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"948558"	207.050994	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363489"	369.103801	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"345797"	383.119451	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1495842"	221.066651	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"958508"	229.032951	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"110045"	197.022202	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"551485"	278.048602	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1022106"	115.995802	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1242777"	240.971685	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1306322"	243.027672	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1321631"	265.009629	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"911387"	275.038386	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1289077"	311.015064	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1368658"	127.040124	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1386159"	145.0501	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"288031"	325.112876	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"678268"	487.165676	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1356805"	163.060076	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"127141"	163.060076	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"568159"	244.086476	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1040600"	82.033676	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"205951"	109.042476	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"646604"	163.060076	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1165095"	55.024876	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"428002"	342.139423	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"791185"	504.192223	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1683505"	180.086623	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"337980"	171.5733495	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"727120"	252.5997495	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1480940"	90.5469495	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"398525"	347.094818	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"755023"	509.147618	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1604710"	185.042018	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"317663"	174.051047	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"707367"	255.077447	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1461755"	93.024647	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1053627"	62.35219	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1258102"	195.086286	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"377565"	363.068758	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"739494"	525.121558	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1540939"	201.015958	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"300914"	182.038017	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"694064"	263.064417	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1448248"	101.011617	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"240132"	366.139426	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1222692"	204.086626	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1209129"	102.546951	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"201272"	369.07676	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"641923"	531.12956	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1140324"	207.02396	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"176322"	185.042018	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"615154"	266.068418	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1118657"	104.015618	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1401092"	69.679504	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1433208"	209.065546	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"222173"	190.07504	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1510237"	223.11759	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"410652"	193.028988	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"777489"	274.055388	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1671632"	112.002588	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"259243"	388.121368	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1227939"	226.068568	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1717552"	226.092093	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1181813"	77.006818	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1652799"	231.047488	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"158568"	401.02464	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"603596"	563.07744	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1091389"	238.97184	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"151490"	201.015958	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"581564"	282.042358	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1069971"	119.989558	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1100382"	240.986392	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1339692"	241.074007	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1008341"	245.113176	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1527446"	246.106808	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"991706"	123.060226	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1588398"	247.021428	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1426092"	277.052938	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1158566"	143.573501	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1703744"	294.079485	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1647049"	299.03488	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1582701"	315.00882	"C01989"	"3-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"806508"	206.0063	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M"	0
"980042"	186.98791	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-H2O-H"	-19.01839
"69378"	136.330257333333	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M-3H"	-3.021828
"508937"	204.999024	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M-3H"	-3.021828
"887835"	67.6614906666667	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-3H"	-3.021828
"9695"	204.999024	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M-2H"	-2.014552
"448160"	308.002174	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M-2H"	-2.014552
"824868"	101.995874	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-2H"	-2.014552
"82672"	411.005324	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M-H"	-1.007276
"520045"	617.011624	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M-H"	-1.007276
"896988"	204.999024	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-H"	-1.007276
"48572"	428.031871	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M-2H+NH4"	16.019271
"489961"	634.038171	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M-2H+NH4"	16.019271
"871779"	222.025571	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-2H+NH4"	16.019271
"34212"	432.987266	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M-2H+Na"	20.974666
"480333"	638.993566	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M-2H+Na"	20.974666
"851206"	226.980966	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-2H+Na"	20.974666
"1630952"	226.980966	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Na-2H"	20.974666
"108574"	222.987363	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M-H+Cl"	33.962126
"547042"	325.990513	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M-H+Cl"	33.962126
"938006"	119.984213	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-H+Cl"	33.962126
"273646"	446.982002	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+Cl"	34.969402
"668259"	652.988302	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+Cl"	34.969402
"1277380"	240.975702	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Cl"	34.969402
"22122"	448.961206	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M-2H+K"	36.948606
"461681"	654.967506	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M-2H+K"	36.948606
"838390"	242.954906	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-2H+K"	36.948606
"1558597"	242.954906	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+K-2H"	36.948606
"947575"	251.004494	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-H+HCOOH"	44.998194
"361937"	457.010801	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+HCOOH-H"	44.998201
"345971"	471.026451	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+Hac-H"	59.013851
"1495224"	265.020151	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Hac-H"	59.013851
"958792"	272.986451	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-H+NaCOOH"	66.980151
"110940"	240.975702	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+2Cl"	69.938804
"550503"	343.978852	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+2Cl"	69.938804
"1022216"	137.972552	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2Cl"	69.938804
"1243616"	284.925185	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Br"	78.918885
"1305337"	286.981172	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Cl+HCOOH"	80.974872
"1319999"	308.963129	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Cl+NaCOOH"	102.956829
"912800"	318.991886	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M-H+CF3COOH"	112.985586
"1289146"	354.968564	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Cl+CF3COOH"	148.962264
"1368404"	170.993624	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H-2H2O"	-35.012676
"1386266"	189.0036	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H-H2O"	-17.0027
"284129"	413.019876	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+H"	1.007276
"682751"	619.026176	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+H"	1.007276
"1352539"	207.013576	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H"	1.007276
"127980"	207.013576	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+2H"	2.014552
"569727"	310.016726	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+2H"	2.014552
"1040710"	104.010426	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2H"	2.014552
"205819"	138.344809333333	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+3H"	3.021828
"645741"	207.013576	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+3H"	3.021828
"1164840"	69.6760426666667	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+3H"	3.021828
"427019"	430.046423	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+NH4"	18.033823
"789108"	636.052723	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+NH4"	18.033823
"1683251"	224.040123	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+NH4"	18.033823
"336997"	215.5268495	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+H+NH4"	19.041099
"726136"	318.5299995	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+H+NH4"	19.041099
"1479957"	112.5236995	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H+NH4"	19.041099
"397542"	435.001818	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+Na"	22.989218
"755259"	641.008118	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+Na"	22.989218
"1607739"	228.995518	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Na"	22.989218
"317774"	218.004547	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+H+Na"	23.996494
"707128"	321.007697	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+H+Na"	23.996494
"1461353"	115.001397	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H+Na"	23.996494
"1055439"	77.0033566666667	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2H+Na"	25.00377
"1258576"	239.039786	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+CH3OH+H"	33.033486
"377635"	450.975758	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+K"	38.963158
"739968"	656.982058	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+K"	38.963158
"1540929"	244.969458	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+K"	38.963158
"301389"	225.991517	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+H+K"	39.970434
"693445"	328.994667	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+H+K"	39.970434
"1447264"	122.988367	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H+K"	39.970434
"238056"	454.046426	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+ACN+H"	42.033826
"1222438"	248.040126	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+ACN+H"	42.033826
"1208389"	124.523701	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+ACN+2H"	43.041102
"196278"	456.98376	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+2Na-H"	44.97116
"639117"	662.99006	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+2Na-H"	44.97116
"1140434"	250.97746	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2Na-H"	44.97116
"177163"	228.995518	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+2Na"	45.978436
"615628"	331.998668	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+2Na"	45.978436
"1120589"	125.992368	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2Na"	45.978436
"1400838"	84.3306706666667	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H+2Na"	46.985712
"1431737"	253.019046	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H+HCOOH"	47.012746
"222284"	234.02854	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+3H2O+2H"	56.04448
"1509860"	267.07109	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+IsoProp+H"	61.06479
"410395"	236.982488	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+Na+K"	61.952376
"776505"	339.985638	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+Na+K"	61.952376
"1671742"	133.979338	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Na+K"	61.952376
"252061"	476.028368	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+ACN+Na"	64.015768
"1227684"	270.022068	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+ACN+Na"	64.015768
"1716569"	270.045593	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+NH4+HCOOH"	64.039293
"1182286"	91.6579846666667	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+3Na"	68.967654
"1655097"	275.000988	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Na+HCOOH"	68.994688
"158312"	488.93164	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+2K-H"	76.91904
"600426"	694.93794	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+2K-H"	76.91904
"1088219"	282.92534	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2K-H"	76.91904
"149413"	244.969458	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"2M+2K"	77.926316
"581511"	347.972608	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"3M+2K"	77.926316
"1068867"	141.966308	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2K"	77.926316
"1099945"	284.939892	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2K+H"	78.933592
"1338708"	285.027507	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+DMSO+H"	79.021207
"1007358"	289.066676	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2ACN+H"	83.060376
"1527556"	290.060308	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+IsoProp+Na+H"	84.054008
"992181"	145.036976	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+2ACN+2H"	84.067652
"1588508"	290.974928	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+K+HCOOH"	84.968628
"1424014"	321.006438	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+H+CF3COOH"	115.000138
"1153208"	165.550251	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+3ACN+2H"	125.094202
"1707134"	338.032985	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+NH4+CF3COOH"	132.026685
"1647159"	342.98838	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+Na+CF3COOH"	136.98208
"1576250"	358.96232	"C01990"	"3-Oxalomalate;3-Oxalomalic acid"	"C6H6O8"	"206.0063"	"M+K+CF3COOH"	152.95602
"806618"	104.0473	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M"	0
"980152"	85.02891	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"69488"	68.3575906666667	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"509047"	103.040024	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"887945"	33.6751573333333	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"6525"	103.040024	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"447177"	155.063674	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"822791"	51.016374	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"81689"	207.087324	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"520155"	311.134624	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"896495"	103.040024	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"49777"	224.113871	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"490435"	328.161171	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"868609"	120.066571	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"33590"	229.069266	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"480443"	333.116566	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"851684"	125.021966	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1631062"	125.021966	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"107956"	121.028363	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"547152"	173.052013	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"938480"	69.004713	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"273756"	243.064002	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"667276"	347.111302	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1277490"	139.016702	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"21139"	245.043206	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"461791"	349.090506	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"838500"	140.995906	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1557614"	140.995906	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"947685"	149.045494	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"362616"	253.092801	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"345918"	267.108451	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1495334"	163.061151	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"959590"	171.027451	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"110088"	139.016702	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"551708"	191.040352	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1022326"	86.993052	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1241539"	182.966185	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1304268"	185.022172	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1319945"	207.004129	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"911573"	217.032886	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1289621"	253.009564	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1369607"	69.034624	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1387470"	87.0446	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"286425"	209.101876	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"679580"	313.149176	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1353378"	105.054576	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"128090"	105.054576	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"569473"	157.078226	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1040457"	53.030926	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"206535"	70.3721426666667	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"646825"	105.054576	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1166042"	35.6897093333333	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"432598"	226.128423	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"791405"	330.175723	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1685184"	122.081123	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"339294"	113.5678495	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"728434"	165.5914995	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1485533"	61.5441995	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"398746"	231.083818	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"757556"	335.131118	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1604934"	127.036518	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"316791"	116.045547	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"708239"	168.069197	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1462053"	64.021897	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1052841"	43.0170233333333	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1257137"	137.080786	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"377290"	247.057758	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"738611"	351.105058	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1540186"	143.010458	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"300405"	124.032517	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"692460"	176.056167	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1446643"	72.008867	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"237073"	250.128426	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1221818"	146.081126	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1208863"	73.544201	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"196388"	253.06576	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"639227"	357.11306	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1139451"	149.01846	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"177273"	127.036518	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"613912"	179.060168	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1119243"	75.012868	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1400705"	50.3443373333333	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1431970"	151.060046	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"221545"	132.06954	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1510091"	165.11209	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"410144"	135.023488	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"774428"	187.047138	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1671851"	82.999838	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"251603"	272.110368	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1227065"	168.063068	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1718866"	168.086593	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1185314"	57.6716513333333	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1657393"	173.041988	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"163162"	285.01364	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"598350"	389.06094	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1089422"	180.96634	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"148428"	143.010458	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"581701"	195.034108	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1068733"	90.986808	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1100316"	182.980892	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1335895"	183.068507	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1005846"	187.107676	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1527666"	188.101308	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"992291"	94.057476	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1587525"	189.015928	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1424124"	219.047438	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1153318"	114.570751	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1703964"	236.073985	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1646176"	241.02938	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1574537"	257.00332	"C01991"	"4-Hydroxyacid;4-Hydroxyalkanoic acid;4-Hydroxycarboxylic acid"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"810008"	266.0651	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M"	0
"980262"	247.04671	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-H2O-H"	-19.01839
"69598"	176.369457333333	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M-3H"	-3.021828
"506971"	265.057824	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M-3H"	-3.021828
"888055"	87.6810906666666	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-3H"	-3.021828
"7728"	265.057824	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M-2H"	-2.014552
"448380"	398.090374	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M-2H"	-2.014552
"822901"	132.025274	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-2H"	-2.014552
"81799"	531.122924	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M-H"	-1.007276
"520021"	797.188024	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M-H"	-1.007276
"897336"	265.057824	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-H"	-1.007276
"49522"	548.149471	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M-2H+NH4"	16.019271
"489450"	814.214571	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M-2H+NH4"	16.019271
"871999"	282.084371	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-2H+NH4"	16.019271
"38805"	553.104866	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M-2H+Na"	20.974666
"480553"	819.169966	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M-2H+Na"	20.974666
"855074"	287.039766	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-2H+Na"	20.974666
"1631173"	287.039766	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Na-2H"	20.974666
"106974"	283.046163	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M-H+Cl"	33.962126
"545805"	416.078713	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M-H+Cl"	33.962126
"939683"	150.013613	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-H+Cl"	33.962126
"273866"	567.099602	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+Cl"	34.969402
"667386"	833.164702	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+Cl"	34.969402
"1278694"	301.034502	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Cl"	34.969402
"21249"	569.078806	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M-2H+K"	36.948606
"460808"	835.143906	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M-2H+K"	36.948606
"836423"	303.013706	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-2H+K"	36.948606
"1558088"	303.013706	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+K-2H"	36.948606
"943173"	311.063294	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-H+HCOOH"	44.998194
"363821"	577.128401	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+HCOOH-H"	44.998201
"346115"	591.144051	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+Hac-H"	59.013851
"1495807"	325.078951	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Hac-H"	59.013851
"958973"	333.045251	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-H+NaCOOH"	66.980151
"111162"	301.034502	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+2Cl"	69.938804
"551818"	434.067052	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+2Cl"	69.938804
"1022796"	168.001952	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2Cl"	69.938804
"1242380"	344.983985	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Br"	78.918885
"1305195"	347.039972	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Cl+HCOOH"	80.974872
"1320139"	369.021929	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Cl+NaCOOH"	102.956829
"911923"	379.050686	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M-H+CF3COOH"	112.985586
"1289124"	415.027364	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Cl+CF3COOH"	148.962264
"1374457"	231.052424	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H-2H2O"	-35.012676
"1386490"	249.0624	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H-H2O"	-17.0027
"285808"	533.137476	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+H"	1.007276
"684064"	799.202576	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+H"	1.007276
"1353854"	267.072376	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H"	1.007276
"131116"	267.072376	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+2H"	2.014552
"571770"	400.104926	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+2H"	2.014552
"1042752"	134.039826	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2H"	2.014552
"210654"	178.384009333333	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+3H"	3.021828
"650215"	267.072376	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+3H"	3.021828
"1167611"	89.6956426666667	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+3H"	3.021828
"427604"	550.164023	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+NH4"	18.033823
"795888"	816.229123	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+NH4"	18.033823
"1687846"	284.098923	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+NH4"	18.033823
"340498"	275.5856495	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+H+NH4"	19.041099
"727451"	408.6181995	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+H+NH4"	19.041099
"1483459"	142.5530995	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H+NH4"	19.041099
"399949"	555.119418	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+Na"	22.989218
"758759"	821.184518	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+Na"	22.989218
"1606138"	289.054318	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Na"	22.989218
"318361"	278.063347	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+H+Na"	23.996494
"707574"	411.095897	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+H+Na"	23.996494
"1461517"	145.030797	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H+Na"	23.996494
"1054080"	97.0229566666666	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2H+Na"	25.00377
"1257334"	299.098586	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+CH3OH+H"	33.033486
"377972"	571.093358	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+K"	38.963158
"738579"	837.158458	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+K"	38.963158
"1540783"	305.028258	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+K"	38.963158
"299542"	286.050317	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+H+K"	39.970434
"692325"	419.082867	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+H+K"	39.970434
"1447484"	153.017767	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H+K"	39.970434
"237183"	574.164026	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+ACN+H"	42.033826
"1223022"	308.098926	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+ACN+H"	42.033826
"1206906"	154.553101	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+ACN+2H"	43.041102
"203059"	577.10136	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+2Na-H"	44.97116
"637150"	843.16646	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+2Na-H"	44.97116
"1139561"	311.03626	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2Na-H"	44.97116
"175194"	289.054318	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+2Na"	45.978436
"619130"	422.086868	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+2Na"	45.978436
"1118262"	156.021768	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2Na"	45.978436
"1401787"	104.350270666667	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H+2Na"	46.985712
"1436090"	313.077846	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H+HCOOH"	47.012746
"224693"	294.08734	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+3H2O+2H"	56.04448
"1510203"	327.12989	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+IsoProp+H"	61.06479
"410254"	297.041288	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+Na+K"	61.952376
"776724"	430.073838	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+Na+K"	61.952376
"1671961"	164.008738	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Na+K"	61.952376
"251875"	596.145968	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+ACN+Na"	64.015768
"1227540"	330.080868	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+ACN+Na"	64.015768
"1717884"	330.104393	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+NH4+HCOOH"	64.039293
"1184332"	111.677584666667	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+3Na"	68.967654
"1656410"	335.059788	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Na+HCOOH"	68.994688
"162180"	609.04924	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+2K-H"	76.91904
"606115"	875.11434	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+2K-H"	76.91904
"1093907"	342.98414	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2K-H"	76.91904
"149630"	305.028258	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"2M+2K"	77.926316
"581504"	438.060808	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"3M+2K"	77.926316
"1068557"	171.995708	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2K"	77.926316
"1100261"	344.998692	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2K+H"	78.933592
"1335880"	345.086307	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+DMSO+H"	79.021207
"1006118"	349.125476	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2ACN+H"	83.060376
"1527776"	350.119108	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+IsoProp+Na+H"	84.054008
"991307"	175.066376	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+2ACN+2H"	84.067652
"1588722"	351.033728	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+K+HCOOH"	84.968628
"1424234"	381.065238	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+H+CF3COOH"	115.000138
"1154521"	195.579651	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+3ACN+2H"	125.094202
"1706261"	398.091785	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+NH4+CF3COOH"	132.026685
"1647379"	403.04718	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+Na+CF3COOH"	136.98208
"1574283"	419.02112	"C01993"	"5-Oxoinosine;5-Dehydroinosine"	"C10H10N4O5"	"266.0651"	"M+K+CF3COOH"	152.95602
"810118"	73.0528	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M"	0
"983653"	54.03441	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-H2O-H"	-19.01839
"72988"	47.6945906666667	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M-3H"	-3.021828
"507081"	72.045524	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M-3H"	-3.021828
"891445"	23.3436573333333	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-3H"	-3.021828
"3464"	72.045524	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M-2H"	-2.014552
"451771"	108.571924	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M-2H"	-2.014552
"827385"	35.519124	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-2H"	-2.014552
"86283"	145.098324	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M-H"	-1.007276
"521832"	218.151124	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M-H"	-1.007276
"899268"	72.045524	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-H"	-1.007276
"58016"	162.124871	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M-2H+NH4"	16.019271
"490288"	235.177671	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M-2H+NH4"	16.019271
"875390"	89.072071	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-2H+NH4"	16.019271
"40010"	167.080266	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M-2H+Na"	20.974666
"480664"	240.133066	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M-2H+Na"	20.974666
"856277"	94.027466	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-2H+Na"	20.974666
"1632377"	94.027466	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Na-2H"	20.974666
"106723"	90.033863	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M-H+Cl"	33.962126
"548466"	126.560263	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M-H+Cl"	33.962126
"939799"	53.507463	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-H+Cl"	33.962126
"280536"	181.075002	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+Cl"	34.969402
"669683"	254.127802	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+Cl"	34.969402
"1278806"	108.022202	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Cl"	34.969402
"22453"	183.054206	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M-2H+K"	36.948606
"460919"	256.107006	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M-2H+K"	36.948606
"834832"	110.001406	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-2H+K"	36.948606
"1557833"	110.001406	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+K-2H"	36.948606
"947175"	118.050994	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-H+HCOOH"	44.998194
"365024"	191.103801	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+HCOOH-H"	44.998201
"346101"	205.119451	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+Hac-H"	59.013851
"1493361"	132.066651	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Hac-H"	59.013851
"960908"	140.032951	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-H+NaCOOH"	66.980151
"112122"	108.022202	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+2Cl"	69.938804
"551195"	144.548602	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+2Cl"	69.938804
"1023274"	71.495802	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2Cl"	69.938804
"1242852"	151.971685	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Br"	78.918885
"1306399"	154.027672	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Cl+HCOOH"	80.974872
"1319948"	176.009629	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Cl+NaCOOH"	102.956829
"914226"	186.038386	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M-H+CF3COOH"	112.985586
"1289842"	222.015064	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Cl+CF3COOH"	148.962264
"1374567"	38.040124	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H-2H2O"	-35.012676
"1387691"	56.0501	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H-H2O"	-17.0027
"286283"	147.112876	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+H"	1.007276
"679072"	220.165676	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+H"	1.007276
"1355058"	74.060076	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H"	1.007276
"131226"	74.060076	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+2H"	2.014552
"574068"	110.586476	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+2H"	2.014552
"1046144"	37.533676	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2H"	2.014552
"210765"	49.7091426666667	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+3H"	3.021828
"649231"	74.060076	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+3H"	3.021828
"1168451"	25.3582093333333	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+3H"	3.021828
"431724"	164.139423	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+NH4"	18.033823
"792719"	237.192223	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+NH4"	18.033823
"1687956"	91.086623	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+NH4"	18.033823
"340607"	82.5733495	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+H+NH4"	19.041099
"726105"	119.0997495	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+H+NH4"	19.041099
"1480654"	46.0469495	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H+NH4"	19.041099
"397873"	169.094818	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+Na"	22.989218
"757776"	242.147618	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+Na"	22.989218
"1606246"	96.042018	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Na"	22.989218
"319563"	85.051047	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+H+Na"	23.996494
"707727"	121.577447	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+H+Na"	23.996494
"1462644"	48.524647	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H+Na"	23.996494
"1053702"	32.6855233333333	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2H+Na"	25.00377
"1257238"	106.086286	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+CH3OH+H"	33.033486
"377254"	185.068758	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+K"	38.963158
"738871"	258.121558	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+K"	38.963158
"1540155"	112.015958	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+K"	38.963158
"299894"	93.038017	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+H+K"	39.970434
"692069"	129.564417	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+H+K"	39.970434
"1447231"	56.511617	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H+K"	39.970434
"237293"	188.139426	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+ACN+H"	42.033826
"1224712"	115.086626	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+ACN+H"	42.033826
"1208109"	58.046951	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+ACN+2H"	43.041102
"203293"	191.07676	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+2Na-H"	44.97116
"637260"	264.12956	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+2Na-H"	44.97116
"1141858"	118.02396	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2Na-H"	44.97116
"178585"	96.042018	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+2Na"	45.978436
"620333"	132.568418	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+2Na"	45.978436
"1121652"	59.515618	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2Na"	45.978436
"1401897"	40.0128373333333	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H+2Na"	46.985712
"1436200"	120.065546	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H+HCOOH"	47.012746
"223710"	101.07504	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+3H2O+2H"	56.04448
"1512866"	134.11759	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+IsoProp+H"	61.06479
"411458"	104.028988	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+Na+K"	61.952376
"779022"	140.555388	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+Na+K"	61.952376
"1668791"	67.502588	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Na+K"	61.952376
"253120"	210.121368	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+ACN+Na"	64.015768
"1227287"	137.068568	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+ACN+Na"	64.015768
"1715809"	137.092093	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+NH4+HCOOH"	64.039293
"1182258"	47.3401513333333	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+3Na"	68.967654
"1657615"	142.047488	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Na+HCOOH"	68.994688
"166664"	223.02464	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+2K-H"	76.91904
"605131"	296.07744	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+2K-H"	76.91904
"1094018"	149.97184	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2K-H"	76.91904
"150834"	112.015958	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"2M+2K"	77.926316
"581761"	148.542358	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"3M+2K"	77.926316
"1068953"	75.489558	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2K"	77.926316
"1100332"	151.986392	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2K+H"	78.933592
"1336116"	152.074007	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+DMSO+H"	79.021207
"1006350"	156.113176	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2ACN+H"	83.060376
"1532261"	157.106808	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+IsoProp+Na+H"	84.054008
"992146"	78.560226	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+2ACN+2H"	84.067652
"1589198"	158.021428	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+K+HCOOH"	84.968628
"1428721"	188.052938	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+H+CF3COOH"	115.000138
"1156819"	99.073501	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+3ACN+2H"	125.094202
"1707464"	205.079485	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+NH4+CF3COOH"	132.026685
"1644209"	210.03488	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+Na+CF3COOH"	136.98208
"1574393"	226.00882	"C01995"	"Acetone oxime;Acetoxime"	"C3H7NO"	"73.0528"	"M+K+CF3COOH"	152.95602
"810228"	146.1181	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M"	0
"980480"	127.09971	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-H2O-H"	-19.01839
"69818"	96.4047906666667	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M-3H"	-3.021828
"505004"	145.110824	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M-3H"	-3.021828
"884994"	47.6987573333333	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-3H"	-3.021828
"1751"	145.110824	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M-2H"	-2.014552
"453947"	218.169874	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M-2H"	-2.014552
"829682"	72.051774	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-2H"	-2.014552
"86393"	291.228924	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M-H"	-1.007276
"523035"	437.347024	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M-H"	-1.007276
"900107"	145.110824	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-H"	-1.007276
"60312"	308.255471	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M-2H+NH4"	16.019271
"489669"	454.373571	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M-2H+NH4"	16.019271
"872222"	162.137371	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-2H+NH4"	16.019271
"44131"	313.210866	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M-2H+Na"	20.974666
"480774"	459.328966	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M-2H+Na"	20.974666
"855294"	167.092766	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-2H+Na"	20.974666
"1631394"	167.092766	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Na-2H"	20.974666
"107563"	163.099163	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M-H+Cl"	33.962126
"548211"	236.158213	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M-H+Cl"	33.962126
"939906"	90.040113	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-H+Cl"	33.962126
"279553"	327.205602	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+Cl"	34.969402
"668700"	473.323702	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+Cl"	34.969402
"1275636"	181.087502	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Cl"	34.969402
"17462"	329.184806	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M-2H+K"	36.948606
"458115"	475.302906	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M-2H+K"	36.948606
"836647"	183.066706	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-2H+K"	36.948606
"1559041"	183.066706	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+K-2H"	36.948606
"946194"	191.116294	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-H+HCOOH"	44.998194
"365502"	337.234401	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+HCOOH-H"	44.998201
"350113"	351.250051	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+Hac-H"	59.013851
"1497853"	205.131951	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Hac-H"	59.013851
"962479"	213.098251	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-H+NaCOOH"	66.980151
"113572"	181.087502	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+2Cl"	69.938804
"554953"	254.146552	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+2Cl"	69.938804
"1025940"	108.028452	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2Cl"	69.938804
"1243696"	225.036985	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Br"	78.918885
"1306510"	227.092972	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Cl+HCOOH"	80.974872
"1322913"	249.074929	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Cl+NaCOOH"	102.956829
"916523"	259.103686	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M-H+CF3COOH"	112.985586
"1293962"	295.080364	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Cl+CF3COOH"	148.962264
"1373584"	111.105424	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H-2H2O"	-35.012676
"1391080"	129.1154	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H-H2O"	-17.0027
"290769"	293.243476	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+H"	1.007276
"679914"	439.361576	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+H"	1.007276
"1355168"	147.125376	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H"	1.007276
"130243"	147.125376	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+2H"	2.014552
"573085"	220.184426	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+2H"	2.014552
"1042247"	74.066326	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2H"	2.014552
"208689"	98.4193426666667	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+3H"	3.021828
"651529"	147.125376	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+3H"	3.021828
"1169654"	49.7133093333333	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+3H"	3.021828
"432927"	310.270023	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+NH4"	18.033823
"795015"	456.388123	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+NH4"	18.033823
"1690253"	164.151923	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+NH4"	18.033823
"341811"	155.6386495	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+H+NH4"	19.041099
"728766"	228.6976995	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+H+NH4"	19.041099
"1486960"	82.5795995	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H+NH4"	19.041099
"401263"	315.225418	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+Na"	22.989218
"761167"	461.343518	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+Na"	22.989218
"1605992"	169.107318	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Na"	22.989218
"315541"	158.116347	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+H+Na"	23.996494
"712823"	231.175397	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+H+Na"	23.996494
"1463362"	85.057297	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H+Na"	23.996494
"1054786"	57.0406233333333	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2H+Na"	25.00377
"1257428"	179.151586	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+CH3OH+H"	33.033486
"378077"	331.199358	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+K"	38.963158
"739438"	477.317458	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+K"	38.963158
"1540514"	185.081258	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+K"	38.963158
"300004"	166.103317	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+H+K"	39.970434
"693151"	239.162367	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+H+K"	39.970434
"1447702"	93.044267	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H+K"	39.970434
"237035"	334.270026	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+ACN+H"	42.033826
"1218870"	188.151926	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+ACN+H"	42.033826
"1204941"	94.579601	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+ACN+2H"	43.041102
"202184"	337.20736	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+2Na-H"	44.97116
"634090"	483.32546	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+2Na-H"	44.97116
"1138688"	191.08926	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2Na-H"	44.97116
"176509"	169.107318	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+2Na"	45.978436
"621536"	242.166368	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+2Na"	45.978436
"1120669"	96.048268	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2Na"	45.978436
"1402006"	64.3679373333333	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H+2Na"	46.985712
"1441777"	193.130846	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H+HCOOH"	47.012746
"226007"	174.14034	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+3H2O+2H"	56.04448
"1516257"	207.18289	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+IsoProp+H"	61.06479
"411568"	177.094288	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+Na+K"	61.952376
"780226"	250.153338	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+Na+K"	61.952376
"1672182"	104.035238	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Na+K"	61.952376
"253595"	356.251968	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+ACN+Na"	64.015768
"1228127"	210.133868	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+ACN+Na"	64.015768
"1719199"	210.157393	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+NH4+HCOOH"	64.039293
"1185648"	71.6952513333333	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+3Na"	68.967654
"1662100"	215.112788	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Na+HCOOH"	68.994688
"170420"	369.15524	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+2K-H"	76.91904
"610832"	515.27334	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+2K-H"	76.91904
"1094128"	223.03714	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2K-H"	76.91904
"152037"	185.081258	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"2M+2K"	77.926316
"582482"	258.140308	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"3M+2K"	77.926316
"1069423"	112.022208	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2K"	77.926316
"1100691"	225.051692	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2K+H"	78.933592
"1336589"	225.139307	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+DMSO+H"	79.021207
"1007068"	229.178476	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2ACN+H"	83.060376
"1527267"	230.172108	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+IsoProp+Na+H"	84.054008
"992984"	115.092876	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+2ACN+2H"	84.067652
"1589305"	231.086728	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+K+HCOOH"	84.968628
"1427735"	261.118238	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+H+CF3COOH"	115.000138
"1156928"	135.606151	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+3ACN+2H"	125.094202
"1705387"	278.144785	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+NH4+CF3COOH"	132.026685
"1645412"	283.10018	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+Na+CF3COOH"	136.98208
"1574503"	299.07412	"C01996"	"Acetylcholine;O-Acetylcholine"	"C7H16NO2"	"146.1181"	"M+K+CF3COOH"	152.95602
"810339"	53.0265	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M"	0
"977311"	34.00811	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-H2O-H"	-19.01839
"73210"	34.343724	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M-3H"	-3.021828
"514957"	52.019224	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M-3H"	-3.021828
"882916"	16.668224	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-3H"	-3.021828
"15226"	52.019224	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M-2H"	-2.014552
"445433"	78.532474	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M-2H"	-2.014552
"828700"	25.505974	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-2H"	-2.014552
"86504"	105.045724	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M-H"	-1.007276
"521690"	158.072224	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M-H"	-1.007276
"896570"	52.019224	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-H"	-1.007276
"53869"	122.072271	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M-2H+NH4"	16.019271
"491251"	175.098771	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M-2H+NH4"	16.019271
"867956"	69.045771	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-2H+NH4"	16.019271
"33666"	127.027666	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M-2H+Na"	20.974666
"474323"	180.054166	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M-2H+Na"	20.974666
"860878"	74.001166	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-2H+Na"	20.974666
"1628226"	74.001166	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Na-2H"	20.974666
"104754"	70.007563	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M-H+Cl"	33.962126
"543222"	96.520813	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M-H+Cl"	33.962126
"938921"	43.494313	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-H+Cl"	33.962126
"275295"	141.022402	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+Cl"	34.969402
"664800"	194.048902	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+Cl"	34.969402
"1276112"	87.995902	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Cl"	34.969402
"18665"	143.001606	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M-2H+K"	36.948606
"456889"	196.028106	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M-2H+K"	36.948606
"834569"	89.975106	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-2H+K"	36.948606
"1557692"	89.975106	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+K-2H"	36.948606
"945575"	98.024694	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-H+HCOOH"	44.998194
"364880"	151.051201	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+HCOOH-H"	44.998201
"351316"	165.066851	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+Hac-H"	59.013851
"1499057"	112.040351	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Hac-H"	59.013851
"962950"	120.006651	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-H+NaCOOH"	66.980151
"114044"	87.995902	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+2Cl"	69.938804
"556523"	114.509152	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+2Cl"	69.938804
"1023862"	61.482652	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2Cl"	69.938804
"1243809"	131.945385	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Br"	78.918885
"1311362"	134.001372	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Cl+HCOOH"	80.974872
"1323025"	155.983329	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Cl+NaCOOH"	102.956829
"913719"	166.012086	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M-H+CF3COOH"	112.985586
"1289698"	201.988764	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Cl+CF3COOH"	148.962264
"1369683"	18.013824	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H-2H2O"	-35.012676
"1387183"	36.0238	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H-H2O"	-17.0027
"288327"	107.060276	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+H"	1.007276
"681116"	160.086776	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+H"	1.007276
"1356372"	54.033776	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H"	1.007276
"129988"	54.033776	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+2H"	2.014552
"567363"	80.547026	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+2H"	2.014552
"1043087"	27.520526	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2H"	2.014552
"208801"	36.358276	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+3H"	3.021828
"649453"	54.033776	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+3H"	3.021828
"1170856"	18.682776	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+3H"	3.021828
"434130"	124.086823	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+NH4"	18.033823
"798406"	177.113323	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+NH4"	18.033823
"1690362"	71.060323	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+NH4"	18.033823
"339733"	62.5470495	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+H+NH4"	19.041099
"735434"	89.0602995	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+H+NH4"	19.041099
"1488161"	36.0337995	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H+NH4"	19.041099
"404654"	129.042218	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+Na"	22.989218
"754303"	182.068718	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+Na"	22.989218
"1603014"	76.015718	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Na"	22.989218
"315163"	65.024747	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+H+Na"	23.996494
"707330"	91.537997	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+H+Na"	23.996494
"1461475"	38.511497	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H+Na"	23.996494
"1053190"	26.01009	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2H+Na"	25.00377
"1257582"	86.059986	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+CH3OH+H"	33.033486
"377499"	145.016158	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+K"	38.963158
"738689"	198.042658	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+K"	38.963158
"1539922"	91.989658	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+K"	38.963158
"300483"	73.011717	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+H+K"	39.970434
"693997"	99.524967	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+H+K"	39.970434
"1448182"	46.498467	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H+K"	39.970434
"246273"	148.086826	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+ACN+H"	42.033826
"1217885"	95.060326	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+ACN+H"	42.033826
"1198486"	48.033801	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+ACN+2H"	43.041102
"194643"	151.02416	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+2Na-H"	44.97116
"637482"	204.05066	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+2Na-H"	44.97116
"1140986"	97.99766	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2Na-H"	44.97116
"178807"	76.015718	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+2Na"	45.978436
"616180"	102.528968	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+2Na"	45.978436
"1126246"	49.502468	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2Na"	45.978436
"1406490"	33.337404	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H+2Na"	46.985712
"1442984"	100.039246	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H+HCOOH"	47.012746
"223205"	81.04874	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+3H2O+2H"	56.04448
"1513092"	114.09129	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+IsoProp+H"	61.06479
"413876"	84.002688	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+Na+K"	61.952376
"775964"	110.515938	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+Na+K"	61.952376
"1672293"	57.489438	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Na+K"	61.952376
"257720"	170.068768	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+ACN+Na"	64.015768
"1227873"	117.042268	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+ACN+Na"	64.015768
"1714934"	117.065793	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+NH4+HCOOH"	64.039293
"1189039"	40.664718	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+3Na"	68.967654
"1655648"	122.021188	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Na+HCOOH"	68.994688
"162511"	182.97204	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+2K-H"	76.91904
"607539"	235.99854	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+2K-H"	76.91904
"1099467"	129.94554	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2K-H"	76.91904
"145592"	91.989658	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"2M+2K"	77.926316
"584425"	118.502908	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"3M+2K"	77.926316
"1072945"	65.476408	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2K"	77.926316
"1100802"	131.960092	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2K+H"	78.933592
"1340720"	132.047707	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+DMSO+H"	79.021207
"1015453"	136.086876	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2ACN+H"	83.060376
"1533576"	137.080508	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+IsoProp+Na+H"	84.054008
"992365"	68.547076	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+2ACN+2H"	84.067652
"1598908"	137.995128	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+K+HCOOH"	84.968628
"1425659"	168.026638	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+H+CF3COOH"	115.000138
"1158137"	89.060351	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+3ACN+2H"	125.094202
"1708781"	185.053185	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+NH4+CF3COOH"	132.026685
"1648441"	190.00858	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+Na+CF3COOH"	136.98208
"1583361"	205.98252	"C01998"	"Acrylonitrile;Propenenitrile;Vinyl cyanide"	"C3H3N"	"53.0265"	"M+K+CF3COOH"	152.95602
"812638"	58.0419	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M"	0
"983984"	39.02351	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-H2O-H"	-19.01839
"66759"	37.687324	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M-3H"	-3.021828
"509600"	57.034624	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M-3H"	-3.021828
"895062"	18.340024	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-3H"	-3.021828
"9261"	57.034624	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M-2H"	-2.014552
"446632"	86.055574	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M-2H"	-2.014552
"826622"	28.013674	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-2H"	-2.014552
"84427"	115.076524	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M-H"	-1.007276
"519004"	173.118424	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M-H"	-1.007276
"895696"	57.034624	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-H"	-1.007276
"56175"	132.103071	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M-2H+NH4"	16.019271
"490265"	190.144971	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M-2H+NH4"	16.019271
"870254"	74.061171	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-2H+NH4"	16.019271
"41438"	137.058466	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M-2H+Na"	20.974666
"482825"	195.100366	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M-2H+Na"	20.974666
"860262"	79.016566	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-2H+Na"	20.974666
"1625057"	79.016566	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Na-2H"	20.974666
"104862"	75.022963	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M-H+Cl"	33.962126
"540047"	104.043913	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M-H+Cl"	33.962126
"933566"	46.002013	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-H+Cl"	33.962126
"268598"	151.053202	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+Cl"	34.969402
"661993"	209.095102	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+Cl"	34.969402
"1275853"	93.011302	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Cl"	34.969402
"16340"	153.032406	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M-2H+K"	36.948606
"456633"	211.074306	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M-2H+K"	36.948606
"834679"	94.990506	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-2H+K"	36.948606
"1557074"	94.990506	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+K-2H"	36.948606
"944953"	103.040094	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-H+HCOOH"	44.998194
"362193"	161.082001	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+HCOOH-H"	44.998201
"349603"	175.097651	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+Hac-H"	59.013851
"1497706"	117.055751	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Hac-H"	59.013851
"962696"	125.022051	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-H+NaCOOH"	66.980151
"115248"	93.011302	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+2Cl"	69.938804
"552620"	122.032252	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+2Cl"	69.938804
"1023609"	63.990352	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2Cl"	69.938804
"1244648"	136.960785	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Br"	78.918885
"1306003"	139.016772	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Cl+HCOOH"	80.974872
"1322042"	160.998729	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Cl+NaCOOH"	102.956829
"915287"	171.027486	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M-H+CF3COOH"	112.985586
"1291267"	207.004164	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Cl+CF3COOH"	148.962264
"1369795"	23.029224	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H-2H2O"	-35.012676
"1391304"	41.0392	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H-H2O"	-17.0027
"293176"	117.091076	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+H"	1.007276
"682321"	175.132976	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+H"	1.007276
"1357577"	59.049176	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H"	1.007276
"134110"	59.049176	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+2H"	2.014552
"568930"	88.070126	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+2H"	2.014552
"1045383"	30.028226	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2H"	2.014552
"212191"	39.701876	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+3H"	3.021828
"648470"	59.049176	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+3H"	3.021828
"1167320"	20.354576	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+3H"	3.021828
"434240"	134.117623	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+NH4"	18.033823
"799245"	192.159523	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+NH4"	18.033823
"1689379"	76.075723	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+NH4"	18.033823
"337657"	67.5624495	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+H+NH4"	19.041099
"730076"	96.5833995	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+H+NH4"	19.041099
"1484991"	38.5414995	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H+NH4"	19.041099
"398204"	139.073018	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+Na"	22.989218
"754434"	197.114918	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+Na"	22.989218
"1602808"	81.031118	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Na"	22.989218
"316249"	70.040147	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+H+Na"	23.996494
"707116"	99.061097	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+H+Na"	23.996494
"1461358"	41.019197	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H+Na"	23.996494
"1053550"	27.68189	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2H+Na"	25.00377
"1261794"	91.075386	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+CH3OH+H"	33.033486
"379273"	155.046958	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+K"	38.963158
"740270"	213.088858	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+K"	38.963158
"1541225"	97.005058	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+K"	38.963158
"301322"	78.027117	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+H+K"	39.970434
"696300"	107.048067	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+H+K"	39.970434
"1459977"	49.006167	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H+K"	39.970434
"249912"	158.117626	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+ACN+H"	42.033826
"1223463"	100.075726	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+ACN+H"	42.033826
"1205163"	50.541501	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+ACN+2H"	43.041102
"198032"	161.05496	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+2Na-H"	44.97116
"634311"	219.09686	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+2Na-H"	44.97116
"1136724"	103.01306	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2Na-H"	44.97116
"177826"	81.031118	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+2Na"	45.978436
"619574"	110.052068	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+2Na"	45.978436
"1118705"	52.010168	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2Na"	45.978436
"1407702"	35.009204	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H+2Na"	46.985712
"1438725"	105.054646	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H+HCOOH"	47.012746
"220521"	86.06414	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+3H2O+2H"	56.04448
"1513208"	119.10669	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+IsoProp+H"	61.06479
"419453"	89.018088	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+Na+K"	61.952376
"781540"	118.039038	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+Na+K"	61.952376
"1672403"	59.997138	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Na+K"	61.952376
"257828"	180.099568	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+ACN+Na"	64.015768
"1229805"	122.057668	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+ACN+Na"	64.015768
"1716139"	122.081193	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+NH4+HCOOH"	64.039293
"1180764"	42.336518	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+3Na"	68.967654
"1653939"	127.036588	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Na+HCOOH"	68.994688
"163716"	193.00284	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+2K-H"	76.91904
"602180"	251.04474	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+2K-H"	76.91904
"1088886"	134.96094	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2K-H"	76.91904
"146801"	97.005058	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"2M+2K"	77.926316
"586360"	126.026008	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"3M+2K"	77.926316
"1074150"	67.984108	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2K"	77.926316
"1107364"	136.975492	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2K+H"	78.933592
"1343754"	137.063107	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+DMSO+H"	79.021207
"1018844"	141.102276	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2ACN+H"	83.060376
"1531502"	142.095908	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+IsoProp+Na+H"	84.054008
"1000140"	71.054776	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+2ACN+2H"	84.067652
"1600113"	143.010528	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+K+HCOOH"	84.968628
"1424680"	173.042038	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+H+CF3COOH"	115.000138
"1160437"	91.568051	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+3ACN+2H"	125.094202
"1709623"	190.068585	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+NH4+CF3COOH"	132.026685
"1648553"	195.02398	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+Na+CF3COOH"	136.98208
"1583473"	210.99792	"C02001"	"Allyl alcohol;2-Propen-1-ol"	"C3H6O"	"58.0419"	"M+K+CF3COOH"	152.95602
"810562"	204.1878	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M"	0
"980814"	185.16941	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66869"	135.117924	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"515181"	203.180524	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"886424"	67.055324	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"7182"	203.180524	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"443462"	305.274424	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"817297"	101.086624	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"79111"	407.368324	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"522278"	611.556124	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"904097"	203.180524	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"53003"	424.394871	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"493657"	628.582671	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"869273"	220.207071	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"42647"	429.350266	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"481113"	633.538066	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"857819"	225.162466	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1627352"	225.162466	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101694"	221.168863	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"534937"	323.262763	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929669"	119.074963	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268587"	443.345002	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664291"	647.532802	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1276693"	239.157202	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"16041"	445.324206	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"455792"	649.512006	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"833329"	241.136406	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1556818"	241.136406	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"944700"	249.185994	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"364374"	453.373801	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"350078"	467.389451	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1498184"	263.201651	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"964996"	271.167951	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"113901"	239.157202	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"551637"	341.251102	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1024813"	137.063302	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1242569"	283.106685	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1306478"	285.162672	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1323612"	307.144629	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"915399"	317.173386	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1292472"	353.150064	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1378290"	169.175124	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1392509"	187.1851	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"292196"	409.382876	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"685710"	613.570676	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1362061"	205.195076	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H"	1.007276
"132761"	205.195076	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570499"	307.288976	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1045131"	103.101176	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"209022"	137.132476	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"649673"	205.195076	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1168889"	69.069876	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433257"	426.409423	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"797533"	630.597223	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692770"	222.221623	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"338860"	213.7083495	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729093"	315.8022495	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1481823"	111.6144495	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"398323"	431.364818	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"754695"	635.552618	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1605232"	227.177018	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315387"	216.186047	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"710971"	318.279947	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463701"	114.092147	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1056947"	76.39719	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1260812"	237.221286	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381574"	447.338758	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740382"	651.526558	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1551191"	243.150958	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+K"	38.963158
"310556"	224.173017	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"705165"	326.266917	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1461126"	122.079117	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"251036"	450.409426	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225403"	246.221626	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207099"	123.614451	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"199239"	453.34676	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"635517"	657.53456	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1135740"	249.15896	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"179031"	227.177018	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"619686"	329.270918	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130367"	125.083118	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412192"	83.724504	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1441028"	251.200546	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"226348"	232.21004	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1515505"	265.25259	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"412275"	235.163988	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"778372"	337.257888	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669961"	133.070088	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"256847"	472.391368	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1228822"	268.203568	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714427"	268.227093	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1180875"	91.051818	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1651497"	273.182488	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"159092"	485.29464	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"602303"	689.48244	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1093378"	281.10684	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"150194"	243.150958	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"589753"	345.244858	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079737"	141.057058	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1107478"	283.121392	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344958"	283.209007	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017864"	287.248176	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1538178"	288.241808	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1003532"	144.127726	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1601562"	289.156428	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424790"	319.187938	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1155078"	164.641001	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1709003"	336.214485	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1649025"	341.16988	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1580304"	357.14382	"C02004"	"Aristolochene;()-Aristolochene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"807392"	296.0685	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M"	0
"974429"	277.05011	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-H2O-H"	-19.01839
"66979"	196.371724	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M-3H"	-3.021828
"514198"	295.061224	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M-3H"	-3.021828
"886534"	97.682224	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-3H"	-3.021828
"6199"	295.061224	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M-2H"	-2.014552
"443572"	443.095474	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M-2H"	-2.014552
"818096"	147.026974	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-2H"	-2.014552
"81368"	591.129724	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M-H"	-1.007276
"520201"	887.198224	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M-H"	-1.007276
"902021"	295.061224	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-H"	-1.007276
"49833"	608.156271	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M-2H+NH4"	16.019271
"492674"	904.224771	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M-2H+NH4"	16.019271
"869383"	312.087771	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-2H+NH4"	16.019271
"39476"	613.111666	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M-2H+Na"	20.974666
"479037"	909.180166	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M-2H+Na"	20.974666
"856836"	317.043166	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-2H+Na"	20.974666
"1625275"	317.043166	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Na-2H"	20.974666
"99616"	313.049563	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M-H+Cl"	33.962126
"535046"	461.083813	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M-H+Cl"	33.962126
"928318"	165.015313	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-H+Cl"	33.962126
"268819"	627.106402	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+Cl"	34.969402
"660753"	923.174902	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+Cl"	34.969402
"1274372"	331.037902	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Cl"	34.969402
"15802"	629.085606	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M-2H+K"	36.948606
"456325"	925.154106	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M-2H+K"	36.948606
"834898"	333.017106	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-2H+K"	36.948606
"1556317"	333.017106	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+K-2H"	36.948606
"944810"	341.066694	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-H+HCOOH"	44.998194
"363390"	637.135201	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+HCOOH-H"	44.998201
"348731"	651.150851	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+Hac-H"	59.013851
"1496470"	355.082351	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Hac-H"	59.013851
"962188"	363.048651	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-H+NaCOOH"	66.980151
"112918"	331.037902	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+2Cl"	69.938804
"553936"	479.072152	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+2Cl"	69.938804
"1026381"	183.003652	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2Cl"	69.938804
"1241949"	374.987385	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Br"	78.918885
"1307315"	377.043372	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Cl+HCOOH"	80.974872
"1320234"	399.025329	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Cl+NaCOOH"	102.956829
"911777"	409.054086	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M-H+CF3COOH"	112.985586
"1289298"	445.030764	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Cl+CF3COOH"	148.962264
"1369529"	261.055824	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H-2H2O"	-35.012676
"1388242"	279.0658	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H-H2O"	-17.0027
"285012"	593.144276	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+H"	1.007276
"679258"	889.212776	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+H"	1.007276
"1354514"	297.075776	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H"	1.007276
"130684"	297.075776	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+2H"	2.014552
"571338"	445.110026	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+2H"	2.014552
"1043417"	149.041526	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2H"	2.014552
"208038"	198.386276	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+3H"	3.021828
"649783"	297.075776	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+3H"	3.021828
"1167908"	99.696776	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+3H"	3.021828
"437741"	610.170823	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+NH4"	18.033823
"798737"	906.239323	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+NH4"	18.033823
"1696690"	314.102323	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+NH4"	18.033823
"340063"	305.5890495	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+H+NH4"	19.041099
"733578"	453.6232995	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+H+NH4"	19.041099
"1480841"	157.5547995	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H+NH4"	19.041099
"400620"	615.126218	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+Na"	22.989218
"756145"	911.194718	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+Na"	22.989218
"1606435"	319.057718	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Na"	22.989218
"315739"	308.066747	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+H+Na"	23.996494
"709988"	456.100997	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+H+Na"	23.996494
"1463444"	160.032497	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H+Na"	23.996494
"1054870"	107.02409	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2H+Na"	25.00377
"1258735"	329.101986	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+CH3OH+H"	33.033486
"382777"	631.100158	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+K"	38.963158
"742678"	927.168658	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+K"	38.963158
"1543643"	335.031658	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+K"	38.963158
"301910"	316.053717	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+H+K"	39.970434
"703087"	464.087967	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+H+K"	39.970434
"1456905"	168.019467	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H+K"	39.970434
"246603"	634.170826	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+ACN+H"	42.033826
"1222960"	338.102326	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+ACN+H"	42.033826
"1205386"	169.554801	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+ACN+2H"	43.041102
"199348"	637.10816	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+2Na-H"	44.97116
"635627"	933.17666	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+2Na-H"	44.97116
"1134757"	341.03966	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2Na-H"	44.97116
"174038"	319.057718	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+2Na"	45.978436
"617609"	467.091968	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+2Na"	45.978436
"1123308"	171.023468	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2Na"	45.978436
"1407925"	114.351404	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H+2Na"	46.985712
"1430928"	343.081246	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H+HCOOH"	47.012746
"224269"	324.09074	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+3H2O+2H"	56.04448
"1511602"	357.13329	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+IsoProp+H"	61.06479
"410559"	327.044688	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+Na+K"	61.952376
"771554"	475.078938	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+Na+K"	61.952376
"1666907"	179.010438	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Na+K"	61.952376
"252334"	656.152768	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+ACN+Na"	64.015768
"1226621"	360.084268	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+ACN+Na"	64.015768
"1715263"	360.107793	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+NH4+HCOOH"	64.039293
"1179645"	121.678718	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+3Na"	68.967654
"1651607"	365.063188	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Na+HCOOH"	68.994688
"159928"	669.05604	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+2K-H"	76.91904
"600226"	965.12454	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+2K-H"	76.91904
"1090208"	372.98754	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2K-H"	76.91904
"147023"	335.031658	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"2M+2K"	77.926316
"587676"	483.065908	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"3M+2K"	77.926316
"1080940"	186.997408	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2K"	77.926316
"1108681"	375.002092	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2K+H"	78.933592
"1345068"	375.089707	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+DMSO+H"	79.021207
"1017973"	379.128876	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2ACN+H"	83.060376
"1537195"	380.122508	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+IsoProp+Na+H"	84.054008
"1002549"	190.068076	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+2ACN+2H"	84.067652
"1599240"	381.037128	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+K+HCOOH"	84.968628
"1422712"	411.068638	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+H+CF3COOH"	115.000138
"1153001"	210.581351	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+3ACN+2H"	125.094202
"1709113"	428.095185	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+NH4+CF3COOH"	132.026685
"1648042"	433.05058	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+Na+CF3COOH"	136.98208
"1580414"	449.02452	"C02006"	"Aspulvinone E;(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-(4-hydroxyphenyl)methylene-2(5H)-furanone"	"C17H12O5"	"296.0685"	"M+K+CF3COOH"	152.95602
"810782"	312.0634	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M"	0
"981034"	293.04501	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-H2O-H"	-19.01839
"73286"	207.034990666667	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M-3H"	-3.021828
"518079"	311.056124	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M-3H"	-3.021828
"886644"	103.013857333333	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-3H"	-3.021828
"6309"	311.056124	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M-2H"	-2.014552
"445869"	467.087824	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M-2H"	-2.014552
"818206"	155.024424	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-2H"	-2.014552
"81478"	623.119524	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M-H"	-1.007276
"520068"	935.182924	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M-H"	-1.007276
"901037"	311.056124	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-H"	-1.007276
"49943"	640.146071	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M-2H+NH4"	16.019271
"492784"	952.209471	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M-2H+NH4"	16.019271
"870586"	328.082671	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-2H+NH4"	16.019271
"40680"	645.101466	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M-2H+Na"	20.974666
"479147"	957.164866	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M-2H+Na"	20.974666
"855852"	333.038066	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-2H+Na"	20.974666
"1626478"	333.038066	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Na-2H"	20.974666
"98632"	329.044463	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M-H+Cl"	33.962126
"535643"	485.076163	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M-H+Cl"	33.962126
"928427"	173.012763	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-H+Cl"	33.962126
"270995"	659.096202	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+Cl"	34.969402
"662321"	971.159602	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+Cl"	34.969402
"1275454"	347.032802	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Cl"	34.969402
"18375"	661.075406	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M-2H+K"	36.948606
"455875"	973.138806	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M-2H+K"	36.948606
"835737"	349.012006	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-2H+K"	36.948606
"1557037"	349.012006	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+K-2H"	36.948606
"947107"	357.061594	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-H+HCOOH"	44.998194
"365323"	669.125001	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+HCOOH-H"	44.998201
"349570"	683.140651	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+Hac-H"	59.013851
"1498768"	371.077251	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Hac-H"	59.013851
"960840"	379.043551	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-H+NaCOOH"	66.980151
"114486"	347.032802	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+2Cl"	69.938804
"554410"	503.064502	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+2Cl"	69.938804
"1027584"	191.001102	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2Cl"	69.938804
"1242423"	390.982285	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Br"	78.918885
"1304994"	393.038272	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Cl+HCOOH"	80.974872
"1320915"	415.020229	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Cl+NaCOOH"	102.956829
"912701"	425.048986	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M-H+CF3COOH"	112.985586
"1291599"	461.025664	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Cl+CF3COOH"	148.962264
"1368788"	277.050724	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H-2H2O"	-35.012676
"1385070"	295.0607	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H-H2O"	-17.0027
"284148"	625.134076	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+H"	1.007276
"680460"	937.197476	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+H"	1.007276
"1353529"	313.070676	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H"	1.007276
"128606"	313.070676	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+2H"	2.014552
"566586"	469.102376	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+2H"	2.014552
"1040247"	157.038976	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2H"	2.014552
"207415"	209.049542666667	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+3H"	3.021828
"649891"	313.070676	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+3H"	3.021828
"1165101"	105.028409333333	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+3H"	3.021828
"434570"	642.160623	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+NH4"	18.033823
"797752"	954.224023	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+NH4"	18.033823
"1694813"	330.097223	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+NH4"	18.033823
"337986"	321.5839495	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+H+NH4"	19.041099
"730408"	477.6156495	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+H+NH4"	19.041099
"1479491"	165.5522495	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H+NH4"	19.041099
"402917"	647.116018	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+Na"	22.989218
"757350"	959.179418	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+Na"	22.989218
"1603747"	335.052618	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Na"	22.989218
"316580"	324.061647	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+H+Na"	23.996494
"712283"	480.093347	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+H+Na"	23.996494
"1463188"	168.029947	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H+Na"	23.996494
"1056073"	112.355723333333	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2H+Na"	25.00377
"1258844"	345.096886	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+CH3OH+H"	33.033486
"381793"	663.089958	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+K"	38.963158
"744976"	975.153358	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+K"	38.963158
"1547032"	351.026558	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+K"	38.963158
"304208"	332.048617	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+H+K"	39.970434
"705019"	488.080317	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+H+K"	39.970434
"1454828"	176.016917	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H+K"	39.970434
"248899"	666.160626	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+ACN+H"	42.033826
"1224283"	354.097226	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+ACN+H"	42.033826
"1206585"	177.552251	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+ACN+2H"	43.041102
"198364"	669.09796	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+2Na-H"	44.97116
"634643"	981.16136	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+2Na-H"	44.97116
"1134867"	357.03456	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2Na-H"	44.97116
"174148"	335.052618	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+2Na"	45.978436
"614802"	491.084318	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+2Na"	45.978436
"1122688"	179.020918	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2Na"	45.978436
"1404756"	119.683037333333	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H+2Na"	46.985712
"1433590"	359.076146	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H+HCOOH"	47.012746
"227659"	340.08564	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+3H2O+2H"	56.04448
"1512441"	373.12819	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+IsoProp+H"	61.06479
"410669"	343.039588	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+Na+K"	61.952376
"770566"	499.071288	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+Na+K"	61.952376
"1665960"	187.007888	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Na+K"	61.952376
"252325"	688.142568	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+ACN+Na"	64.015768
"1226364"	376.079168	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+ACN+Na"	64.015768
"1713549"	376.102693	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+NH4+HCOOH"	64.039293
"1179389"	127.010351333333	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+3Na"	68.967654
"1649889"	381.058088	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Na+HCOOH"	68.994688
"157851"	701.04584	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+2K-H"	76.91904
"601429"	1013.10924	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+2K-H"	76.91904
"1092504"	388.98244	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2K-H"	76.91904
"146040"	351.026558	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"2M+2K"	77.926316
"587786"	507.058258	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"3M+2K"	77.926316
"1074487"	194.994858	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2K"	77.926316
"1108790"	390.996992	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2K+H"	78.933592
"1342988"	391.084607	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+DMSO+H"	79.021207
"1018814"	395.123776	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2ACN+H"	83.060376
"1535116"	396.117408	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+IsoProp+Na+H"	84.054008
"1000470"	198.065526	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+2ACN+2H"	84.067652
"1597162"	397.032028	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+K+HCOOH"	84.968628
"1422821"	427.063538	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+H+CF3COOH"	115.000138
"1153111"	218.578801	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+3ACN+2H"	125.094202
"1709223"	444.090085	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+NH4+CF3COOH"	132.026685
"1645965"	449.04548	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+Na+CF3COOH"	136.98208
"1577244"	465.01942	"C02007"	"Aspulvinone G"	"C17H12O6"	"312.0634"	"M+K+CF3COOH"	152.95602
"816998"	432.1937	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M"	0
"989854"	413.17531	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-H2O-H"	-19.01839
"78484"	287.121857333333	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M-3H"	-3.021828
"517336"	431.186424	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M-3H"	-3.021828
"894407"	143.057290666667	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-3H"	-3.021828
"10794"	431.186424	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M-2H"	-2.014552
"447077"	647.283274	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M-2H"	-2.014552
"821597"	215.089574	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-2H"	-2.014552
"90339"	863.380124	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M-H"	-1.007276
"532709"	1295.573824	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M-H"	-1.007276
"908806"	431.186424	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-H"	-1.007276
"60628"	880.406671	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M-2H+NH4"	16.019271
"496182"	1312.600371	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M-2H+NH4"	16.019271
"868517"	448.212971	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-2H+NH4"	16.019271
"36781"	885.362066	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M-2H+Na"	20.974666
"478164"	1317.555766	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M-2H+Na"	20.974666
"857058"	453.168366	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-2H+Na"	20.974666
"1626593"	453.168366	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Na-2H"	20.974666
"100206"	449.174763	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M-H+Cl"	33.962126
"540496"	665.271613	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M-H+Cl"	33.962126
"936198"	233.077913	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-H+Cl"	33.962126
"276940"	899.356802	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+Cl"	34.969402
"669361"	1331.550502	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+Cl"	34.969402
"1282492"	467.163102	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Cl"	34.969402
"23953"	901.336006	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M-2H+K"	36.948606
"463881"	1333.529706	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M-2H+K"	36.948606
"838400"	469.142306	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-2H+K"	36.948606
"1562253"	469.142306	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+K-2H"	36.948606
"948677"	477.191894	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-H+HCOOH"	44.998194
"363245"	909.385601	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+HCOOH-H"	44.998201
"348586"	923.401251	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+Hac-H"	59.013851
"1496690"	491.207551	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Hac-H"	59.013851
"958693"	499.173851	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-H+NaCOOH"	66.980151
"110097"	467.163102	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+2Cl"	69.938804
"553431"	683.259952	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+2Cl"	69.938804
"1025879"	251.066252	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2Cl"	69.938804
"1242172"	511.112585	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Br"	78.918885
"1304619"	513.168572	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Cl+HCOOH"	80.974872
"1329414"	535.150529	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Cl+NaCOOH"	102.956829
"914273"	545.179286	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M-H+CF3COOH"	112.985586
"1290618"	581.155964	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Cl+CF3COOH"	148.962264
"1375343"	397.181024	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H-2H2O"	-35.012676
"1388464"	415.191	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H-H2O"	-17.0027
"287061"	865.394676	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+H"	1.007276
"679481"	1297.588376	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+H"	1.007276
"1356923"	433.200976	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H"	1.007276
"127623"	433.200976	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+2H"	2.014552
"565773"	649.297826	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+2H"	2.014552
"1038534"	217.104126	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2H"	2.014552
"204970"	289.136409333333	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+3H"	3.021828
"644331"	433.200976	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+3H"	3.021828
"1164484"	145.071842666667	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+3H"	3.021828
"425935"	882.421223	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+NH4"	18.033823
"789115"	1314.614923	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+NH4"	18.033823
"1687634"	450.227523	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+NH4"	18.033823
"331904"	441.7142495	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+H+NH4"	19.041099
"729430"	657.8110995	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+H+NH4"	19.041099
"1478878"	225.6173995	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H+NH4"	19.041099
"404122"	887.376618	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+Na"	22.989218
"757462"	1319.570318	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+Na"	22.989218
"1603737"	455.182918	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Na"	22.989218
"316690"	444.191947	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+H+Na"	23.996494
"710212"	660.288797	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+H+Na"	23.996494
"1473876"	228.095097	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H+Na"	23.996494
"1061653"	152.399156666667	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2H+Na"	25.00377
"1265521"	465.227186	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+CH3OH+H"	33.033486
"388467"	903.350558	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+K"	38.963158
"749462"	1335.544258	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+K"	38.963158
"1548241"	471.156858	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+K"	38.963158
"309791"	452.178917	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+H+K"	39.970434
"702213"	668.275767	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+H+K"	39.970434
"1460416"	236.082067	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H+K"	39.970434
"250837"	906.421226	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+ACN+H"	42.033826
"1223180"	474.227526	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+ACN+H"	42.033826
"1207066"	237.617401	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+ACN+2H"	43.041102
"199571"	909.35856	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+2Na-H"	44.97116
"634754"	1341.55226	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+2Na-H"	44.97116
"1138260"	477.16486	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2Na-H"	44.97116
"175107"	455.182918	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+2Na"	45.978436
"626223"	671.279768	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+2Na"	45.978436
"1128635"	239.086068	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2Na"	45.978436
"1411428"	159.726470666667	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H+2Na"	46.985712
"1432607"	479.206446	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H+HCOOH"	47.012746
"224856"	460.21594	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+3H2O+2H"	56.04448
"1515836"	493.25849	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+IsoProp+H"	61.06479
"414427"	463.169888	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+Na+K"	61.952376
"774327"	679.266738	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+Na+K"	61.952376
"1671751"	247.073038	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Na+K"	61.952376
"254625"	928.403168	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+ACN+Na"	64.015768
"1228429"	496.209468	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+ACN+Na"	64.015768
"1715490"	496.232993	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+NH4+HCOOH"	64.039293
"1180479"	167.053784666667	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+3Na"	68.967654
"1650162"	501.188388	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Na+HCOOH"	68.994688
"165262"	941.30644	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+2K-H"	76.91904
"605915"	1373.50014	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+2K-H"	76.91904
"1088238"	509.11274	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2K-H"	76.91904
"146150"	471.156858	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"2M+2K"	77.926316
"592273"	687.253708	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"3M+2K"	77.926316
"1078254"	255.060008	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2K"	77.926316
"1112554"	511.127292	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2K+H"	78.933592
"1344195"	511.214907	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+DMSO+H"	79.021207
"1015650"	515.254076	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2ACN+H"	83.060376
"1535232"	516.247708	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+IsoProp+Na+H"	84.054008
"998397"	258.130676	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+2ACN+2H"	84.067652
"1600555"	517.162328	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+K+HCOOH"	84.968628
"1419657"	547.193838	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+H+CF3COOH"	115.000138
"1160879"	278.643951	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+3ACN+2H"	125.094202
"1712132"	564.220385	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+NH4+CF3COOH"	132.026685
"1647172"	569.17578	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+Na+CF3COOH"	136.98208
"1577354"	585.14972	"C02008"	"Aspulvinone H"	"C27H28O5"	"432.1937"	"M+K+CF3COOH"	152.95602
"811003"	118.0531	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M"	0
"987817"	99.03471	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-H2O-H"	-19.01839
"67309"	77.6947906666667	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M-3H"	-3.021828
"516348"	117.045824	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M-3H"	-3.021828
"892328"	38.3437573333333	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-3H"	-3.021828
"5437"	117.045824	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M-2H"	-2.014552
"447187"	176.072374	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M-2H"	-2.014552
"818791"	58.019274	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-2H"	-2.014552
"90449"	235.098924	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M-H"	-1.007276
"532940"	353.152024	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M-H"	-1.007276
"907822"	117.045824	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-H"	-1.007276
"60737"	252.125471	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M-2H+NH4"	16.019271
"496293"	370.178571	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M-2H+NH4"	16.019271
"868628"	134.072371	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-2H+NH4"	16.019271
"35434"	257.080866	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M-2H+Na"	20.974666
"479368"	375.133966	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M-2H+Na"	20.974666
"856074"	139.027766	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-2H+Na"	20.974666
"1627796"	139.027766	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Na-2H"	20.974666
"100316"	135.034163	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M-H+Cl"	33.962126
"542792"	194.060713	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M-H+Cl"	33.962126
"938493"	76.007613	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-H+Cl"	33.962126
"275956"	271.075602	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+Cl"	34.969402
"670564"	389.128702	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+Cl"	34.969402
"1284060"	153.022502	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Cl"	34.969402
"26617"	273.054806	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M-2H+K"	36.948606
"467271"	391.107906	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M-2H+K"	36.948606
"841794"	155.001706	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-2H+K"	36.948606
"1560907"	155.001706	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+K-2H"	36.948606
"947695"	163.051294	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-H+HCOOH"	44.998194
"365543"	281.104401	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+HCOOH-H"	44.998201
"350154"	295.120051	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+Hac-H"	59.013851
"1496436"	177.066951	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Hac-H"	59.013851
"958913"	185.033251	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-H+NaCOOH"	66.980151
"111421"	153.022502	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+2Cl"	69.938804
"552084"	212.049052	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+2Cl"	69.938804
"1026353"	93.995952	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2Cl"	69.938804
"1242039"	196.971985	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Br"	78.918885
"1306188"	199.027972	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Cl+HCOOH"	80.974872
"1329524"	221.009929	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Cl+NaCOOH"	102.956829
"913655"	231.038686	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M-H+CF3COOH"	112.985586
"1290728"	267.015364	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Cl+CF3COOH"	148.962264
"1372173"	83.040424	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H-2H2O"	-35.012676
"1387482"	101.0504	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H-H2O"	-17.0027
"284619"	237.113476	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+H"	1.007276
"678132"	355.166576	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+H"	1.007276
"1353754"	119.060376	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H"	1.007276
"127734"	119.060376	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+2H"	2.014552
"566073"	178.086926	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+2H"	2.014552
"1038157"	60.033826	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2H"	2.014552
"204837"	79.7093426666667	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+3H"	3.021828
"645740"	119.060376	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+3H"	3.021828
"1171519"	40.3583093333333	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+3H"	3.021828
"431510"	254.140023	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+NH4"	18.033823
"794691"	372.193123	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+NH4"	18.033823
"1689930"	136.086923	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+NH4"	18.033823
"332375"	127.5736495	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+H+NH4"	19.041099
"723337"	186.6001995	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+H+NH4"	19.041099
"1477271"	68.5470995	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H+NH4"	19.041099
"404232"	259.095418	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+Na"	22.989218
"755506"	377.148518	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+Na"	22.989218
"1606763"	141.042318	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Na"	22.989218
"316801"	130.051347	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+H+Na"	23.996494
"711415"	189.077897	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+H+Na"	23.996494
"1470703"	71.024797	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H+Na"	23.996494
"1059573"	47.6856233333333	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2H+Na"	25.00377
"1263443"	151.086586	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+CH3OH+H"	33.033486
"387483"	275.069358	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+K"	38.963158
"746293"	393.122458	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+K"	38.963158
"1547258"	157.016258	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+K"	38.963158
"309901"	138.038317	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+H+K"	39.970434
"702323"	197.064867	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+H+K"	39.970434
"1458330"	79.011767	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H+K"	39.970434
"246935"	278.140026	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+ACN+H"	42.033826
"1222924"	160.086926	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+ACN+H"	42.033826
"1203529"	80.547101	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+ACN+2H"	43.041102
"196764"	281.07736	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+2Na-H"	44.97116
"633771"	399.13046	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+2Na-H"	44.97116
"1135089"	163.02426	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2Na-H"	44.97116
"174488"	141.042318	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+2Na"	45.978436
"625604"	200.068868	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+2Na"	45.978436
"1128016"	82.015768	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2Na"	45.978436
"1412510"	55.0129373333333	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H+2Na"	46.985712
"1433448"	165.065846	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H+HCOOH"	47.012746
"223872"	146.07534	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+3H2O+2H"	56.04448
"1515946"	179.11789	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+IsoProp+H"	61.06479
"414537"	149.029288	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+Na+K"	61.952376
"772614"	208.055838	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+Na+K"	61.952376
"1672954"	90.002738	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Na+K"	61.952376
"254735"	300.121968	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+ACN+Na"	64.015768
"1228904"	182.068868	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+ACN+Na"	64.015768
"1714143"	182.092393	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+NH4+HCOOH"	64.039293
"1179375"	62.3402513333333	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+3Na"	68.967654
"1649921"	187.047788	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Na+HCOOH"	68.994688
"165372"	313.02524	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+2K-H"	76.91904
"606025"	431.07834	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+2K-H"	76.91904
"1087256"	194.97214	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2K-H"	76.91904
"145531"	157.016258	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"2M+2K"	77.926316
"584728"	216.042808	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"3M+2K"	77.926316
"1079091"	97.989708	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2K"	77.926316
"1114120"	196.986692	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2K+H"	78.933592
"1344305"	197.074307	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+DMSO+H"	79.021207
"1013936"	201.113476	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2ACN+H"	83.060376
"1535341"	202.107108	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+IsoProp+Na+H"	84.054008
"998507"	101.060376	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+2ACN+2H"	84.067652
"1600544"	203.021728	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+K+HCOOH"	84.968628
"1423043"	233.053238	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+H+CF3COOH"	115.000138
"1161961"	121.573651	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+3ACN+2H"	125.094202
"1712242"	250.079785	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+NH4+CF3COOH"	132.026685
"1648375"	255.03518	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+Na+CF3COOH"	136.98208
"1577464"	271.00912	"C02009"	"Benzimidazole"	"C7H6N2"	"118.0531"	"M+K+CF3COOH"	152.95602
"815488"	422.2026	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M"	0
"987927"	403.18421	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-H2O-H"	-19.01839
"67419"	280.461124	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M-3H"	-3.021828
"516822"	421.195324	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M-3H"	-3.021828
"892438"	139.726924	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-3H"	-3.021828
"5544"	421.195324	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M-2H"	-2.014552
"447297"	632.296624	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M-2H"	-2.014552
"818537"	210.094024	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-2H"	-2.014552
"89466"	843.397924	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M-H"	-1.007276
"533779"	1265.600524	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M-H"	-1.007276
"907932"	421.195324	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-H"	-1.007276
"60969"	860.424471	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M-2H+NH4"	16.019271
"498590"	1282.627071	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M-2H+NH4"	16.019271
"866551"	438.221871	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-2H+NH4"	16.019271
"35544"	865.379866	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M-2H+Na"	20.974666
"480572"	1287.582466	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M-2H+Na"	20.974666
"857278"	443.177266	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-2H+Na"	20.974666
"1628999"	443.177266	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Na-2H"	20.974666
"101155"	439.183663	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M-H+Cl"	33.962126
"542902"	650.284963	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M-H+Cl"	33.962126
"938603"	228.082363	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-H+Cl"	33.962126
"277159"	879.374602	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+Cl"	34.969402
"671767"	1301.577202	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+Cl"	34.969402
"1284170"	457.172002	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Cl"	34.969402
"26727"	881.353806	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M-2H+K"	36.948606
"467381"	1303.556406	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M-2H+K"	36.948606
"842997"	459.151206	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-2H+K"	36.948606
"1561017"	459.151206	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+K-2H"	36.948606
"948898"	467.200794	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-H+HCOOH"	44.998194
"364196"	889.403401	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+HCOOH-H"	44.998201
"348808"	903.419051	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+Hac-H"	59.013851
"1495452"	481.216451	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Hac-H"	59.013851
"962994"	489.182751	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-H+NaCOOH"	66.980151
"110806"	457.172002	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+2Cl"	69.938804
"554745"	668.273302	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+2Cl"	69.938804
"1026828"	246.070702	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2Cl"	69.938804
"1241664"	501.121485	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Br"	78.918885
"1305570"	503.177472	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Cl+HCOOH"	80.974872
"1329634"	525.159429	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Cl+NaCOOH"	102.956829
"912426"	535.188186	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M-H+CF3COOH"	112.985586
"1290109"	571.164864	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Cl+CF3COOH"	148.962264
"1372283"	387.189924	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H-2H2O"	-35.012676
"1385769"	405.1999	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H-H2O"	-17.0027
"287282"	845.412476	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+H"	1.007276
"681888"	1267.615076	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+H"	1.007276
"1354956"	423.209876	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H"	1.007276
"127844"	423.209876	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+2H"	2.014552
"566790"	634.311176	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+2H"	2.014552
"1037903"	212.108576	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2H"	2.014552
"205311"	282.475676	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+3H"	3.021828
"649130"	423.209876	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+3H"	3.021828
"1171630"	141.741476	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+3H"	3.021828
"433806"	862.439023	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+NH4"	18.033823
"795894"	1284.641623	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+NH4"	18.033823
"1692226"	440.236423	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+NH4"	18.033823
"335037"	431.7231495	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+H+NH4"	19.041099
"725634"	642.8244495	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+H+NH4"	19.041099
"1477508"	220.6218495	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H+NH4"	19.041099
"397780"	867.394418	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+Na"	22.989218
"755488"	1289.597018	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+Na"	22.989218
"1603217"	445.191818	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Na"	22.989218
"315067"	434.200847	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+H+Na"	23.996494
"709333"	645.302147	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+H+Na"	23.996494
"1465707"	223.099547	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H+Na"	23.996494
"1060776"	149.06879	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2H+Na"	25.00377
"1266829"	455.236086	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+CH3OH+H"	33.033486
"381028"	883.368358	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+K"	38.963158
"744210"	1305.570958	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+K"	38.963158
"1548461"	461.165758	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+K"	38.963158
"308553"	442.187817	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+H+K"	39.970434
"702433"	653.289117	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+H+K"	39.970434
"1457347"	231.086517	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H+K"	39.970434
"247771"	886.439026	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+ACN+H"	42.033826
"1219750"	464.236426	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+ACN+H"	42.033826
"1203639"	232.621851	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+ACN+2H"	43.041102
"195780"	889.37636	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+2Na-H"	44.97116
"632788"	1311.57896	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+2Na-H"	44.97116
"1135199"	467.17376	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2Na-H"	44.97116
"173176"	445.191818	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+2Na"	45.978436
"624619"	656.293118	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+2Na"	45.978436
"1124844"	234.090518	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2Na"	45.978436
"1410553"	156.396104	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H+2Na"	46.985712
"1433924"	469.215346	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H+HCOOH"	47.012746
"224711"	450.22484	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+3H2O+2H"	56.04448
"1517148"	483.26739	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+IsoProp+H"	61.06479
"415740"	453.178788	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+Na+K"	61.952376
"774547"	664.280088	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+Na+K"	61.952376
"1673065"	242.077488	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Na+K"	61.952376
"257397"	908.420968	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+ACN+Na"	64.015768
"1229014"	486.218368	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+ACN+Na"	64.015768
"1713525"	486.241893	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+NH4+HCOOH"	64.039293
"1179608"	163.723418	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+3Na"	68.967654
"1650178"	491.197288	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Na+HCOOH"	68.994688
"165482"	921.32424	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+2K-H"	76.91904
"606135"	1343.52684	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+2K-H"	76.91904
"1090646"	499.12164	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2K-H"	76.91904
"148557"	461.165758	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"2M+2K"	77.926316
"584838"	672.267058	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"3M+2K"	77.926316
"1078836"	250.064458	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2K"	77.926316
"1112408"	501.136192	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2K+H"	78.933592
"1344415"	501.223807	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+DMSO+H"	79.021207
"1014046"	505.262976	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2ACN+H"	83.060376
"1533264"	506.256608	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+IsoProp+Na+H"	84.054008
"998617"	253.135126	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+2ACN+2H"	84.067652
"1595307"	507.171228	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+K+HCOOH"	84.968628
"1423153"	537.202738	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+H+CF3COOH"	115.000138
"1162192"	273.648401	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+3ACN+2H"	125.094202
"1710648"	554.229285	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+NH4+CF3COOH"	132.026685
"1647392"	559.18468	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+Na+CF3COOH"	136.98208
"1577574"	575.15862	"C02010"	"Blasticidin S"	"C17H26N8O5"	"422.2026"	"M+K+CF3COOH"	152.95602
"813410"	666.2219	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M"	0
"983662"	647.20351	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"77375"	443.140657333333	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"517661"	665.214624	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"891453"	221.066690666667	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"10030"	665.214624	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"444127"	998.325574	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"820836"	332.103674	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"91776"	1331.436524	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"533530"	1997.658424	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"910110"	665.214624	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"53673"	1348.463071	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"488735"	2014.684971	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"866660"	682.241171	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"38206"	1353.418466	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"478494"	2019.640366	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"857388"	687.196566	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1624007"	687.196566	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"101268"	683.202963	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"543014"	1016.313913	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"940661"	350.092013	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"279459"	1367.413202	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"672732"	2033.635102	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1284286"	701.191302	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"24656"	1369.392406	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"464217"	2035.614306	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"844204"	703.170506	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1566596"	703.170506	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"954478"	711.220094	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"368319"	1377.442001	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"355483"	1391.457651	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1497756"	725.235751	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"965298"	733.202051	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"114201"	701.191302	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"555953"	1034.302252	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1027300"	368.080352	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1246517"	745.140785	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1314438"	747.196772	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1329746"	769.178729	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"922991"	779.207486	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1297515"	815.184164	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1381141"	631.209224	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1390985"	649.2192	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"291764"	1333.451076	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"684186"	1999.672976	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1358349"	667.229176	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"134519"	667.229176	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"576263"	1000.340126	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1043968"	334.118226	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"210776"	445.155209333333	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"650335"	667.229176	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1168461"	223.081242666667	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"431733"	1350.477623	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"793819"	2016.699523	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1684683"	684.255723	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"336243"	675.7424495	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"723440"	1008.8533995	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1487963"	342.6314995	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"400078"	1355.433018	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"754871"	2021.654918	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1603330"	689.211118	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"320306"	678.220147	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"714917"	1011.331097	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1473113"	345.109197	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1060892"	230.408556666667	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1265847"	699.255386	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"387700"	1371.406958	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"749792"	2037.628858	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1548568"	705.185058	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"306839"	686.207117	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"702547"	1019.318067	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1456363"	353.096167	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"247153"	1374.477626	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1222052"	708.255726	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1203750"	354.631501	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"192610"	1377.41496	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"637274"	2043.63686	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1137863"	711.19306	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"179702"	689.211118	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"619262"	1022.322068	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1122768"	356.100168	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1398998"	237.735870666667	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1432574"	713.234646	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"224095"	694.24414	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1513978"	727.28669	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"413663"	697.198088	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"771379"	1030.309038	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1667710"	364.087138	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"253137"	1396.459568	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1226573"	730.237668	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1714364"	730.261193	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1179227"	245.063184666667	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1660919"	735.216588	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"168875"	1409.36284	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"599685"	2075.58474	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1091124"	743.14094	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"148669"	705.185058	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"589326"	1038.296008	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1077851"	372.074108	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1105953"	745.155492	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1336392"	745.243107	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1013063"	749.282276	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1531186"	750.275908	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"995446"	375.144776	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1596513"	751.190528	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1427641"	781.222038	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1157926"	395.658051	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1705290"	798.248585	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1639848"	803.20398	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1574405"	819.17792	"C02013"	"Cellotetraose"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"814249"	1532.2148	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M"	0
"983772"	1513.19641	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-H2O-H"	-19.01839
"76390"	1020.46925733333	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M-3H"	-3.021828
"514855"	1531.207524	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M-3H"	-3.021828
"889376"	509.730990666667	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-3H"	-3.021828
"9045"	1531.207524	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M-2H"	-2.014552
"450795"	2297.314924	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M-2H"	-2.014552
"820946"	765.100124	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-2H"	-2.014552
"92737"	3063.422324	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M-H"	-1.007276
"533149"	4595.637124	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M-H"	-1.007276
"910346"	1531.207524	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-H"	-1.007276
"61436"	3080.448871	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M-2H+NH4"	16.019271
"494437"	4612.663671	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M-2H+NH4"	16.019271
"878557"	1548.234071	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-2H+NH4"	16.019271
"44880"	3085.404266	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M-2H+Na"	20.974666
"482978"	4617.619066	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M-2H+Na"	20.974666
"860778"	1553.189466	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-2H+Na"	20.974666
"1632867"	1553.189466	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Na-2H"	20.974666
"107941"	1549.195863	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M-H+Cl"	33.962126
"548598"	2315.303263	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M-H+Cl"	33.962126
"941988"	783.088463	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-H+Cl"	33.962126
"281639"	3099.399002	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+Cl"	34.969402
"674668"	4631.613802	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+Cl"	34.969402
"1287925"	1567.184202	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Cl"	34.969402
"25858"	3101.378206	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M-2H+K"	36.948606
"467605"	4633.593006	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M-2H+K"	36.948606
"847229"	1569.163406	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-2H+K"	36.948606
"1566706"	1569.163406	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+K-2H"	36.948606
"951309"	1577.212994	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-H+HCOOH"	44.998194
"371347"	3109.427801	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+HCOOH-H"	44.998201
"354502"	3123.443451	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+Hac-H"	59.013851
"1497866"	1591.228651	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Hac-H"	59.013851
"965408"	1599.194951	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-H+NaCOOH"	66.980151
"115040"	1567.184202	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+2Cl"	69.938804
"556063"	2333.291602	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+2Cl"	69.938804
"1027045"	801.076802	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2Cl"	69.938804
"1246991"	1611.133685	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Br"	78.918885
"1316734"	1613.189672	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Cl+HCOOH"	80.974872
"1327669"	1635.171629	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Cl+NaCOOH"	102.956829
"923101"	1645.200386	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M-H+CF3COOH"	112.985586
"1299811"	1681.177064	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Cl+CF3COOH"	148.962264
"1381251"	1497.202124	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H-2H2O"	-35.012676
"1393283"	1515.2121	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H-H2O"	-17.0027
"289688"	3065.436876	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+H"	1.007276
"685390"	4597.651676	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+H"	1.007276
"1359554"	1533.222076	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H"	1.007276
"136817"	1533.222076	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+2H"	2.014552
"574188"	2299.329476	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+2H"	2.014552
"1044080"	767.114676	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2H"	2.014552
"210885"	1022.48380933333	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+3H"	3.021828
"650446"	1533.222076	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+3H"	3.021828
"1169665"	511.745542666667	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+3H"	3.021828
"430749"	3082.463423	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+NH4"	18.033823
"795023"	4614.678223	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+NH4"	18.033823
"1684793"	1550.248623	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+NH4"	18.033823
"336353"	1541.7353495	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+H+NH4"	19.041099
"723308"	2307.8427495	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+H+NH4"	19.041099
"1485887"	775.6279495	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H+NH4"	19.041099
"393137"	3087.418818	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+Na"	22.989218
"755224"	4619.633618	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+Na"	22.989218
"1603199"	1555.204018	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Na"	22.989218
"318593"	1544.213047	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+H+Na"	23.996494
"713934"	2310.320447	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+H+Na"	23.996494
"1469943"	778.105647	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H+Na"	23.996494
"1057723"	519.072856666667	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2H+Na"	25.00377
"1264863"	1565.248286	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+CH3OH+H"	33.033486
"386717"	3103.392758	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+K"	38.963158
"746622"	4635.607558	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+K"	38.963158
"1546492"	1571.177958	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+K"	38.963158
"308042"	1552.200017	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+H+K"	39.970434
"697185"	2318.307417	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+H+K"	39.970434
"1451006"	786.092617	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H+K"	39.970434
"240701"	3106.463426	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+ACN+H"	42.033826
"1221796"	1574.248626	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+ACN+H"	42.033826
"1204951"	787.627951	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+ACN+2H"	43.041102
"194542"	3109.40076	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+2Na-H"	44.97116
"634099"	4641.61556	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+2Na-H"	44.97116
"1136509"	1577.18596	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2Na-H"	44.97116
"183820"	1555.204018	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+2Na"	45.978436
"620465"	2321.311418	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+2Na"	45.978436
"1123970"	789.096618	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2Na"	45.978436
"1401661"	526.400170666667	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H+2Na"	46.985712
"1431954"	1579.227546	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H+HCOOH"	47.012746
"221649"	1560.23704	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+3H2O+2H"	56.04448
"1512993"	1593.27959	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+IsoProp+H"	61.06479
"412680"	1563.190988	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+Na+K"	61.952376
"772582"	2329.298388	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+Na+K"	61.952376
"1666482"	797.083588	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Na+K"	61.952376
"251619"	3128.445368	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+ACN+Na"	64.015768
"1225778"	1596.230568	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+ACN+Na"	64.015768
"1712853"	1596.254093	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+NH4+HCOOH"	64.039293
"1179457"	533.727484666667	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+3Na"	68.967654
"1654466"	1601.209488	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Na+HCOOH"	68.994688
"158046"	3141.34864	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+2K-H"	76.91904
"598331"	4673.56344	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+2K-H"	76.91904
"1084664"	1609.13384	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2K-H"	76.91904
"143308"	1571.177958	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"2M+2K"	77.926316
"589437"	2337.285358	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"3M+2K"	77.926316
"1079417"	805.070558	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2K"	77.926316
"1101690"	1611.148392	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2K+H"	78.933592
"1339175"	1611.236007	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+DMSO+H"	79.021207
"1013173"	1615.275176	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2ACN+H"	83.060376
"1531296"	1616.268808	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+IsoProp+Na+H"	84.054008
"995555"	808.141226	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+2ACN+2H"	84.067652
"1597716"	1617.183428	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+K+HCOOH"	84.968628
"1426657"	1647.214938	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+H+CF3COOH"	115.000138
"1158036"	828.654501	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+3ACN+2H"	125.094202
"1705400"	1664.241485	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+NH4+CF3COOH"	132.026685
"1639958"	1669.19688	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+Na+CF3COOH"	136.98208
"1574515"	1685.17082	"C02015"	"CoA-disulfide"	"C42H70N14O32P6S2"	"1532.2148"	"M+K+CF3COOH"	152.95602
"814726"	105.0327	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M"	0
"989405"	86.01431	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-H2O-H"	-19.01839
"76504"	69.014524	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M-3H"	-3.021828
"517157"	104.025424	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M-3H"	-3.021828
"892769"	34.003624	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-3H"	-3.021828
"10250"	104.025424	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M-2H"	-2.014552
"440457"	156.541774	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M-2H"	-2.014552
"831640"	51.509074	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-2H"	-2.014552
"90902"	209.058124	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M-H"	-1.007276
"529370"	314.090824	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M-H"	-1.007276
"899516"	104.025424	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-H"	-1.007276
"53893"	226.084671	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M-2H+NH4"	16.019271
"489806"	331.117371	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M-2H+NH4"	16.019271
"874535"	121.051971	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-2H+NH4"	16.019271
"35508"	231.040066	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M-2H+Na"	20.974666
"480901"	336.072766	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M-2H+Na"	20.974666
"862957"	126.007366	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-2H+Na"	20.974666
"1627148"	126.007366	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Na-2H"	20.974666
"103677"	122.013763	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M-H+Cl"	33.962126
"543238"	174.530113	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M-H+Cl"	33.962126
"936752"	69.497413	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-H+Cl"	33.962126
"277494"	245.034802	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+Cl"	34.969402
"671011"	350.067502	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+Cl"	34.969402
"1285597"	140.002102	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Cl"	34.969402
"24876"	247.014006	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M-2H+K"	36.948606
"460063"	352.046706	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M-2H+K"	36.948606
"840052"	141.981306	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-2H+K"	36.948606
"1569006"	141.981306	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+K-2H"	36.948606
"954701"	150.030894	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-H+HCOOH"	44.998194
"371823"	255.063601	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+HCOOH-H"	44.998201
"354612"	269.079251	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+Hac-H"	59.013851
"1496882"	164.046551	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Hac-H"	59.013851
"965521"	172.012851	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-H+NaCOOH"	66.980151
"117711"	140.002102	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+2Cl"	69.938804
"557270"	192.518452	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+2Cl"	69.938804
"1028254"	87.485752	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2Cl"	69.938804
"1250026"	183.951585	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Br"	78.918885
"1316846"	186.007572	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Cl+HCOOH"	80.974872
"1333248"	207.989529	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Cl+NaCOOH"	102.956829
"926132"	218.018286	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M-H+CF3COOH"	112.985586
"1302108"	253.994964	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Cl+CF3COOH"	148.962264
"1375896"	70.020024	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H-2H2O"	-35.012676
"1395577"	88.03	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H-H2O"	-17.0027
"297451"	211.072676	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+H"	1.007276
"687685"	316.105376	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+H"	1.007276
"1362576"	106.039976	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H"	1.007276
"138019"	106.039976	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+2H"	2.014552
"576485"	158.556326	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+2H"	2.014552
"1039817"	53.523626	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2H"	2.014552
"205527"	71.029076	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+3H"	3.021828
"645453"	106.039976	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+3H"	3.021828
"1168682"	36.018176	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+3H"	3.021828
"427580"	228.099223	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+NH4"	18.033823
"787483"	333.131923	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+NH4"	18.033823
"1684176"	123.066523	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+NH4"	18.033823
"336469"	114.5532495	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+H+NH4"	19.041099
"731083"	167.0695995	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+H+NH4"	19.041099
"1480525"	62.0368995	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H+NH4"	19.041099
"393368"	233.054618	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+Na"	22.989218
"760200"	338.087318	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+Na"	22.989218
"1605024"	128.021918	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Na"	22.989218
"323812"	117.030947	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+H+Na"	23.996494
"721341"	169.547297	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+H+Na"	23.996494
"1473338"	64.514597	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H+Na"	23.996494
"1058929"	43.34549	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2H+Na"	25.00377
"1260604"	138.066186	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+CH3OH+H"	33.033486
"385744"	249.028558	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+K"	38.963158
"751114"	354.061258	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+K"	38.963158
"1553167"	143.995858	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+K"	38.963158
"309250"	125.017917	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+H+K"	39.970434
"705320"	177.534267	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+H+K"	39.970434
"1460231"	72.501567	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H+K"	39.970434
"247377"	252.099226	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+ACN+H"	42.033826
"1217898"	147.066526	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+ACN+H"	42.033826
"1202874"	74.036901	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+ACN+2H"	43.041102
"199025"	255.03656	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+2Na-H"	44.97116
"635304"	360.06926	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+2Na-H"	44.97116
"1142827"	150.00386	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2Na-H"	44.97116
"179921"	128.021918	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+2Na"	45.978436
"617658"	180.538268	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+2Na"	45.978436
"1118614"	75.505568	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2Na"	45.978436
"1399093"	50.672804	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H+2Na"	46.985712
"1430601"	152.045446	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H+HCOOH"	47.012746
"223219"	133.05494	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+3H2O+2H"	56.04448
"1510914"	166.09749	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+IsoProp+H"	61.06479
"410114"	136.008888	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+Na+K"	61.952376
"770738"	188.525238	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+Na+K"	61.952376
"1665940"	83.492538	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Na+K"	61.952376
"251772"	274.081168	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+ACN+Na"	64.015768
"1225976"	169.048468	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+ACN+Na"	64.015768
"1714334"	169.071993	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+NH4+HCOOH"	64.039293
"1182862"	58.000118	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+3Na"	68.967654
"1657857"	174.027388	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Na+HCOOH"	68.994688
"159249"	286.98444	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+2K-H"	76.91904
"599904"	392.01714	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+2K-H"	76.91904
"1090979"	181.95174	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2K-H"	76.91904
"149990"	143.995858	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"2M+2K"	77.926316
"587363"	196.512208	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"3M+2K"	77.926316
"1076249"	91.479508	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2K"	77.926316
"1100833"	183.966292	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2K+H"	78.933592
"1336975"	184.053907	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+DMSO+H"	79.021207
"1012189"	188.093076	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2ACN+H"	83.060376
"1528126"	189.086708	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+IsoProp+Na+H"	84.054008
"994575"	94.550176	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+2ACN+2H"	84.067652
"1592357"	190.001328	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+K+HCOOH"	84.968628
"1421298"	220.032838	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+H+CF3COOH"	115.000138
"1159239"	115.063451	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+3ACN+2H"	125.094202
"1699679"	237.059385	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+NH4+CF3COOH"	132.026685
"1643349"	242.01478	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+Na+CF3COOH"	136.98208
"1574624"	257.98872	"C02018"	"Cyanopyrazine;2-Cyanopyrazine"	"C5H3N3"	"105.0327"	"M+K+CF3COOH"	152.95602
"812649"	86.0732	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M"	0
"988006"	67.05481	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-H2O-H"	-19.01839
"76609"	56.3748573333333	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M-3H"	-3.021828
"513982"	85.065924	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M-3H"	-3.021828
"892878"	27.6837906666667	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-3H"	-3.021828
"7080"	85.065924	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M-2H"	-2.014552
"443360"	128.102524	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M-2H"	-2.014552
"830292"	42.029324	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-2H"	-2.014552
"91376"	171.139124	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M-H"	-1.007276
"531302"	257.212324	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M-H"	-1.007276
"907283"	85.065924	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-H"	-1.007276
"57283"	188.165671	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M-2H+NH4"	16.019271
"491740"	274.238871	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M-2H+NH4"	16.019271
"876832"	102.092471	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-2H+NH4"	16.019271
"40358"	193.121066	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M-2H+Na"	20.974666
"482104"	279.194266	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M-2H+Na"	20.974666
"862095"	107.047866	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-2H+Na"	20.974666
"1629445"	107.047866	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Na-2H"	20.974666
"100507"	103.054263	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M-H+Cl"	33.962126
"543348"	146.090863	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M-H+Cl"	33.962126
"936862"	60.017663	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-H+Cl"	33.962126
"278697"	207.115802	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+Cl"	34.969402
"671120"	293.189002	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+Cl"	34.969402
"1282427"	121.042602	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Cl"	34.969402
"19517"	209.095006	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M-2H+K"	36.948606
"460171"	295.168206	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M-2H+K"	36.948606
"839069"	123.021806	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-2H+K"	36.948606
"1559274"	123.021806	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+K-2H"	36.948606
"952622"	131.071394	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-H+HCOOH"	44.998194
"368651"	217.144601	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+HCOOH-H"	44.998201
"352534"	231.160251	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+Hac-H"	59.013851
"1496992"	145.087051	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Hac-H"	59.013851
"964535"	153.053351	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-H+NaCOOH"	66.980151
"117820"	121.042602	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+2Cl"	69.938804
"556286"	164.079202	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+2Cl"	69.938804
"1026177"	78.006002	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2Cl"	69.938804
"1255603"	164.992085	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Br"	78.918885
"1315862"	167.048072	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Cl+HCOOH"	80.974872
"1331900"	189.030029	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Cl+NaCOOH"	102.956829
"921136"	199.058786	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M-H+CF3COOH"	112.985586
"1296749"	235.035464	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Cl+CF3COOH"	148.962264
"1376006"	51.060524	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H-2H2O"	-35.012676
"1395687"	69.0705	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H-H2O"	-17.0027
"297196"	173.153676	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+H"	1.007276
"687795"	259.226876	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+H"	1.007276
"1357582"	87.080476	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H"	1.007276
"133756"	87.080476	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+2H"	2.014552
"572220"	130.117076	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+2H"	2.014552
"1039927"	44.043876	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2H"	2.014552
"206852"	58.3894093333333	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+3H"	3.021828
"646656"	87.080476	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+3H"	3.021828
"1169884"	29.6983426666667	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+3H"	3.021828
"428782"	190.180223	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+NH4"	18.033823
"788685"	276.253423	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+NH4"	18.033823
"1683920"	104.107023	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+NH4"	18.033823
"336579"	95.5937495	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+H+NH4"	19.041099
"731194"	138.6303495	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+H+NH4"	19.041099
"1481728"	52.5571495	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H+NH4"	19.041099
"393356"	195.135618	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+Na"	22.989218
"760310"	281.208818	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+Na"	22.989218
"1608413"	109.062418	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Na"	22.989218
"325014"	98.071447	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+H+Na"	23.996494
"718535"	141.108047	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+H+Na"	23.996494
"1470168"	55.034847	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H+Na"	23.996494
"1059036"	37.0256566666667	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2H+Na"	25.00377
"1261806"	119.106686	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+CH3OH+H"	33.033486
"381479"	211.109558	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+K"	38.963158
"743564"	297.182758	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+K"	38.963158
"1544521"	125.036358	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+K"	38.963158
"306069"	106.058417	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+H+K"	39.970434
"705064"	149.095017	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+H+K"	39.970434
"1458884"	63.021817	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H+K"	39.970434
"247487"	214.180226	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+ACN+H"	42.033826
"1218008"	128.107026	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+ACN+H"	42.033826
"1201891"	64.557151	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+ACN+2H"	43.041102
"199135"	217.11756	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+2Na-H"	44.97116
"634319"	303.19076	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+2Na-H"	44.97116
"1142207"	131.04436	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2Na-H"	44.97116
"181124"	109.062418	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+2Na"	45.978436
"619591"	152.099018	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+2Na"	45.978436
"1119089"	66.025818	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2Na"	45.978436
"1399448"	44.3529706666667	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H+2Na"	46.985712
"1430590"	133.085946	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H+HCOOH"	47.012746
"222965"	114.09544	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+3H2O+2H"	56.04448
"1509930"	147.13799	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+IsoProp+H"	61.06479
"409615"	117.049388	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+Na+K"	61.952376
"770732"	160.085988	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+Na+K"	61.952376
"1666086"	74.012788	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Na+K"	61.952376
"251761"	236.162168	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+ACN+Na"	64.015768
"1226167"	150.088968	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+ACN+Na"	64.015768
"1713713"	150.112493	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+NH4+HCOOH"	64.039293
"1182972"	51.6802846666667	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+3Na"	68.967654
"1657967"	155.067888	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Na+HCOOH"	68.994688
"159359"	249.06544	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+2K-H"	76.91904
"599162"	335.13864	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+2K-H"	76.91904
"1091089"	162.99224	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2K-H"	76.91904
"147913"	125.036358	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"2M+2K"	77.926316
"589658"	168.072958	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"3M+2K"	77.926316
"1076358"	81.999758	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2K"	77.926316
"1101065"	165.006792	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2K+H"	78.933592
"1338302"	165.094407	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+DMSO+H"	79.021207
"1014485"	169.133576	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2ACN+H"	83.060376
"1528236"	170.127208	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+IsoProp+Na+H"	84.054008
"994685"	85.070426	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+2ACN+2H"	84.067652
"1590281"	171.041828	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+K+HCOOH"	84.968628
"1423595"	201.073338	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+H+CF3COOH"	115.000138
"1160442"	105.583701	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+3ACN+2H"	125.094202
"1702342"	218.099885	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+NH4+CF3COOH"	132.026685
"1643459"	223.05528	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+Na+CF3COOH"	136.98208
"1573641"	239.02922	"C02020"	"Cyclopentanol;Cyclopentyl alcohol"	"C5H10O"	"86.0732"	"M+K+CF3COOH"	152.95602
"810572"	120.0423	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M"	0
"987384"	101.02391	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H2O-H"	-19.01839
"76719"	79.020924	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-3H"	-3.021828
"517253"	119.035024	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-3H"	-3.021828
"883150"	39.006824	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-3H"	-3.021828
"2093"	119.035024	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H"	-2.014552
"450047"	179.056174	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H"	-2.014552
"826756"	59.013874	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H"	-2.014552
"84560"	239.077324	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-H"	-1.007276
"522301"	359.119624	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-H"	-1.007276
"897304"	119.035024	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H"	-1.007276
"51196"	256.103871	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H+NH4"	16.019271
"490026"	376.146171	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H+NH4"	16.019271
"872567"	136.061571	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H+NH4"	16.019271
"36823"	261.059266	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H+Na"	20.974666
"482217"	381.101566	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H+Na"	20.974666
"854186"	141.016966	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H+Na"	20.974666
"1629553"	141.016966	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na-2H"	20.974666
"104990"	137.023363	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-H+Cl"	33.962126
"543458"	197.044513	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-H+Cl"	33.962126
"938065"	77.002213	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+Cl"	33.962126
"278809"	275.054002	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Cl"	34.969402
"670137"	395.096302	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+Cl"	34.969402
"1279258"	155.011702	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl"	34.969402
"20722"	277.033206	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H+K"	36.948606
"460281"	397.075506	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H+K"	36.948606
"841364"	156.990906	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H+K"	36.948606
"1564852"	156.990906	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K-2H"	36.948606
"952734"	165.040494	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+HCOOH"	44.998194
"369855"	285.082801	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+HCOOH-H"	44.998201
"349364"	299.098451	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Hac-H"	59.013851
"1501481"	179.056151	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Hac-H"	59.013851
"971942"	187.022451	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+NaCOOH"	66.980151
"123034"	155.011702	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2Cl"	69.938804
"562230"	215.032852	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2Cl"	69.938804
"1036500"	94.990552	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2Cl"	69.938804
"1254618"	198.961185	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Br"	78.918885
"1315973"	201.017172	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl+HCOOH"	80.974872
"1332376"	222.999129	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl+NaCOOH"	102.956829
"919060"	233.027886	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+CF3COOH"	112.985586
"1302330"	269.004564	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl+CF3COOH"	148.962264
"1376117"	85.029624	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H-2H2O"	-35.012676
"1391426"	103.0396	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H-H2O"	-17.0027
"290019"	241.091876	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H"	1.007276
"687906"	361.134176	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H"	1.007276
"1358789"	121.049576	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H"	1.007276
"136052"	121.049576	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2H"	2.014552
"574518"	181.070726	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2H"	2.014552
"1040401"	61.028426	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2H"	2.014552
"206843"	81.035476	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+3H"	3.021828
"648591"	121.049576	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+3H"	3.021828
"1164530"	41.021376	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+3H"	3.021828
"429990"	258.118423	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+NH4"	18.033823
"787704"	378.160723	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+NH4"	18.033823
"1692786"	138.076123	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+NH4"	18.033823
"337784"	129.5628495	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H+NH4"	19.041099
"725831"	189.5839995	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H+NH4"	19.041099
"1482932"	69.5416995	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+NH4"	19.041099
"395050"	263.073818	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Na"	22.989218
"764801"	383.116118	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+Na"	22.989218
"1608526"	143.031518	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na"	22.989218
"319662"	132.040547	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H+Na"	23.996494
"712083"	192.061697	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H+Na"	23.996494
"1473195"	72.019397	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+Na"	23.996494
"1056961"	48.34869	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2H+Na"	25.00377
"1261921"	153.075786	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+CH3OH+H"	33.033486
"379766"	279.047758	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+K"	38.963158
"745862"	399.090058	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+K"	38.963158
"1547914"	159.005458	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K"	38.963158
"305098"	140.027517	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H+K"	39.970434
"702986"	200.048667	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H+K"	39.970434
"1456807"	80.006367	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+K"	39.970434
"243223"	282.118426	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+ACN+H"	42.033826
"1215933"	162.076126	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+ACN+H"	42.033826
"1199817"	81.541701	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+ACN+2H"	43.041102
"192686"	285.05576	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2Na-H"	44.97116
"637720"	405.09806	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2Na-H"	44.97116
"1136852"	165.01346	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2Na-H"	44.97116
"181236"	143.031518	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2Na"	45.978436
"617883"	203.052668	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2Na"	45.978436
"1119566"	83.010368	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2Na"	45.978436
"1400534"	55.676004	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+2Na"	46.985712
"1430949"	167.055046	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+HCOOH"	47.012746
"221981"	148.06454	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+3H2O+2H"	56.04448
"1510046"	181.10709	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+IsoProp+H"	61.06479
"409361"	151.018488	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Na+K"	61.952376
"771213"	211.039638	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+Na+K"	61.952376
"1666202"	90.997338	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na+K"	61.952376
"252837"	304.100368	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+ACN+Na"	64.015768
"1226525"	184.058068	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+ACN+Na"	64.015768
"1725019"	184.081593	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+NH4+HCOOH"	64.039293
"1185998"	63.003318	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+3Na"	68.967654
"1653703"	189.036988	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na+HCOOH"	68.994688
"159226"	317.00364	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2K-H"	76.91904
"599876"	437.04594	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2K-H"	76.91904
"1087927"	196.96134	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2K-H"	76.91904
"145836"	159.005458	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2K"	77.926316
"586488"	219.026608	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2K"	77.926316
"1073190"	98.984308	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2K"	77.926316
"1102390"	198.975892	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2K+H"	78.933592
"1336218"	199.063507	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+DMSO+H"	79.021207
"1007184"	203.102676	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2ACN+H"	83.060376
"1525551"	204.096308	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+IsoProp+Na+H"	84.054008
"990535"	102.054976	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2ACN+2H"	84.067652
"1588568"	205.010928	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K+HCOOH"	84.968628
"1420426"	235.042438	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+CF3COOH"	115.000138
"1149621"	122.568251	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+3ACN+2H"	125.094202
"1705733"	252.068985	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+NH4+CF3COOH"	132.026685
"1640290"	257.02438	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na+CF3COOH"	136.98208
"1584688"	272.99832	"C02022"	"D-Erythrulose;D-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K+CF3COOH"	152.95602
"812870"	194.0427	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"984214"	175.02431	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"75736"	128.354524	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"507647"	193.035424	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"890922"	63.673624	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"6220"	193.035424	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"449062"	290.056774	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"826866"	96.014074	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"80662"	387.078124	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"522409"	581.120824	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"898754"	193.035424	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"49847"	404.104671	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"488314"	598.147371	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"866116"	210.061971	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"35841"	409.060066	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"481234"	603.102766	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"859036"	215.017366	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1628570"	215.017366	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"105100"	211.023763	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"542474"	308.045113	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"937082"	114.002413	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"275638"	423.054802	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"662957"	617.097502	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1280464"	229.012102	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"19009"	425.034006	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"457475"	619.076706	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"840381"	230.991306	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1561682"	230.991306	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"952845"	239.040894	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"368874"	433.083601	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"354947"	447.099251	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1507306"	253.056551	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"970958"	261.022851	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"123874"	229.012102	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"560884"	326.033452	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1036124"	131.990752	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1253635"	272.961585	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1313897"	275.017572	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1332485"	296.999529	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"922451"	307.028286	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1300253"	343.004964	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1377322"	159.030024	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1386071"	177.04	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"291223"	389.092676	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"685831"	583.135376	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1356711"	195.049976	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"133975"	195.049976	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"572441"	292.071326	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1040147"	98.028626	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"211329"	130.369076	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"650889"	195.049976	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1164642"	65.688176	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"429006"	406.119223	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"794380"	600.161923	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1684148"	212.076523	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"332427"	203.5632495	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"724848"	300.5845995	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1478669"	106.5418995	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"398455"	411.074618	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"759450"	605.117318	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1607550"	217.031918	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"319773"	206.040947	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"712196"	303.062297	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1469296"	109.019597	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1057074"	73.01549	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1262033"	227.076186	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"380969"	427.048558	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"741599"	621.091258	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1544753"	233.005858	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"308488"	214.027917	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"697629"	311.049267	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1454734"	117.006567	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"245524"	430.119226	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1221150"	236.076526	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1204301"	118.541901	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"194261"	433.05656	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"632000"	627.09926	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1133682"	239.01386	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"174786"	217.031918	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"614346"	314.053268	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1120041"	120.010568	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1402471"	80.342804	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1432035"	241.055446	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"220431"	222.06494	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1509062"	255.10749	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"409111"	225.018888	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"773026"	322.040238	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1665870"	127.997538	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"256971"	452.101168	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1228590"	258.058468	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1717111"	258.081993	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1185017"	87.670118	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1658189"	263.037388	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"159947"	465.00444	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"599153"	659.04714	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1085851"	270.96174	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"143760"	233.005858	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"581614"	330.027208	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1068959"	135.984508	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1102136"	272.976292	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1335795"	273.063907	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1005770"	277.103076	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1527364"	278.096708	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"990018"	139.055176	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1589408"	279.011328	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1417621"	309.042838	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1153013"	159.568451	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1709124"	326.069385	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1641494"	331.02478	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1576051"	346.99872	"C02024"	"D-Mannuronate;D-Mannuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"811887"	97.064	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M"	0
"978859"	78.04561	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-H2O-H"	-19.01839
"72567"	63.7020573333333	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M-3H"	-3.021828
"515419"	96.056724	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M-3H"	-3.021828
"891030"	31.3473906666667	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-3H"	-3.021828
"6330"	96.056724	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M-2H"	-2.014552
"446985"	144.588724	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M-2H"	-2.014552
"828071"	47.524724	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-2H"	-2.014552
"83688"	193.120724	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M-H"	-1.007276
"524342"	290.184724	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M-H"	-1.007276
"898498"	96.056724	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-H"	-1.007276
"52509"	210.147271	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M-2H+NH4"	16.019271
"492070"	307.211271	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M-2H+NH4"	16.019271
"864889"	113.083271	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-2H+NH4"	16.019271
"35588"	215.102666	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M-2H+Na"	20.974666
"479157"	312.166666	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M-2H+Na"	20.974666
"856959"	118.038666	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-2H+Na"	20.974666
"1629408"	118.038666	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Na-2H"	20.974666
"107397"	114.045063	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M-H+Cl"	33.962126
"545864"	162.577063	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M-H+Cl"	33.962126
"940472"	65.513063	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-H+Cl"	33.962126
"275748"	229.097402	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+Cl"	34.969402
"662703"	326.161402	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+Cl"	34.969402
"1282761"	132.033402	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Cl"	34.969402
"26411"	231.076606	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M-2H+K"	36.948606
"465972"	328.140606	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M-2H+K"	36.948606
"838305"	134.012606	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-2H+K"	36.948606
"1565073"	134.012606	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+K-2H"	36.948606
"952957"	142.062194	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-H+HCOOH"	44.998194
"374453"	239.126201	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+HCOOH-H"	44.998201
"359798"	253.141851	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+Hac-H"	59.013851
"1506444"	156.077851	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Hac-H"	59.013851
"969976"	164.044151	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-H+NaCOOH"	66.980151
"122529"	132.033402	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+2Cl"	69.938804
"564276"	180.565402	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+2Cl"	69.938804
"1029796"	83.501402	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2Cl"	69.938804
"1256665"	175.982885	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Br"	78.918885
"1319598"	178.038872	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Cl+HCOOH"	80.974872
"1332596"	200.020829	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Cl+NaCOOH"	102.956829
"924749"	210.049586	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M-H+CF3COOH"	112.985586
"1298178"	246.026264	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Cl+CF3COOH"	148.962264
"1379623"	62.051324	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H-2H2O"	-35.012676
"1393837"	80.0613	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H-H2O"	-17.0027
"290241"	195.135276	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+H"	1.007276
"685941"	292.199276	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+H"	1.007276
"1360105"	98.071276	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H"	1.007276
"135181"	98.071276	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+2H"	2.014552
"576926"	146.603276	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+2H"	2.014552
"1049007"	49.539276	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2H"	2.014552
"214719"	65.7166093333333	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+3H"	3.021828
"649908"	98.071276	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+3H"	3.021828
"1174596"	33.3619426666667	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+3H"	3.021828
"434587"	212.161823	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+NH4"	18.033823
"792306"	309.225823	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+NH4"	18.033823
"1685351"	115.097823	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+NH4"	18.033823
"340198"	106.5845495	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+H+NH4"	19.041099
"730431"	155.1165495	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+H+NH4"	19.041099
"1481335"	58.0525495	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H+NH4"	19.041099
"404035"	217.117218	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+Na"	22.989218
"767217"	314.181218	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+Na"	22.989218
"1615315"	120.053218	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Na"	22.989218
"323164"	109.062247	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+H+Na"	23.996494
"720693"	157.594247	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+H+Na"	23.996494
"1472687"	60.530247	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H+Na"	23.996494
"1060465"	40.6892566666667	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2H+Na"	25.00377
"1267982"	130.097486	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+CH3OH+H"	33.033486
"387281"	233.091158	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+K"	38.963158
"746087"	330.155158	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+K"	38.963158
"1548145"	136.027158	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+K"	38.963158
"307508"	117.049217	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+H+K"	39.970434
"701020"	165.581217	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+H+K"	39.970434
"1453755"	68.517217	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H+K"	39.970434
"243451"	236.161826	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+ACN+H"	42.033826
"1219441"	139.097826	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+ACN+H"	42.033826
"1202959"	70.052551	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+ACN+2H"	43.041102
"190727"	239.09916	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+2Na-H"	44.97116
"629434"	336.16316	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+2Na-H"	44.97116
"1133429"	142.03516	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2Na-H"	44.97116
"173431"	120.053218	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+2Na"	45.978436
"614814"	168.585218	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+2Na"	45.978436
"1118693"	71.521218	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2Na"	45.978436
"1400394"	48.0165706666667	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H+2Na"	46.985712
"1431780"	144.076746	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H+HCOOH"	47.012746
"221839"	125.08624	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+3H2O+2H"	56.04448
"1509901"	158.12879	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+IsoProp+H"	61.06479
"411413"	128.040188	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+Na+K"	61.952376
"773136"	176.572188	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+Na+K"	61.952376
"1669468"	79.508188	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Na+K"	61.952376
"258174"	258.143768	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+ACN+Na"	64.015768
"1226507"	161.079768	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+ACN+Na"	64.015768
"1712966"	161.103293	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+NH4+HCOOH"	64.039293
"1180754"	55.3438846666667	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+3Na"	68.967654
"1650403"	166.058688	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Na+HCOOH"	68.994688
"160059"	271.04704	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+2K-H"	76.91904
"600356"	368.11104	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+2K-H"	76.91904
"1085474"	173.98304	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2K-H"	76.91904
"141712"	136.027158	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"2M+2K"	77.926316
"581405"	184.559158	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"3M+2K"	77.926316
"1070476"	87.495158	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2K"	77.926316
"1101983"	175.997592	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2K+H"	78.933592
"1335711"	176.085207	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+DMSO+H"	79.021207
"1005742"	180.124376	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2ACN+H"	83.060376
"1524416"	181.118008	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+IsoProp+Na+H"	84.054008
"989959"	90.565826	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+2ACN+2H"	84.067652
"1589518"	182.032628	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+K+HCOOH"	84.968628
"1415057"	212.064138	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+H+CF3COOH"	115.000138
"1153124"	111.079101	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+3ACN+2H"	125.094202
"1707048"	229.090685	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+NH4+CF3COOH"	132.026685
"1648166"	234.04608	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+Na+CF3COOH"	136.98208
"1578348"	250.02002	"C02026"	"Deoxycytosine;2-Deoxycytosine"	"C4H7N3"	"97.064"	"M+K+CF3COOH"	152.95602
"810903"	472.2097	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M"	0
"984439"	453.19131	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-H2O-H"	-19.01839
"71585"	313.799190666667	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M-3H"	-3.021828
"515530"	471.202424	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M-3H"	-3.021828
"894789"	156.395957333333	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-3H"	-3.021828
"10815"	471.202424	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M-2H"	-2.014552
"448190"	707.307274	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M-2H"	-2.014552
"827087"	235.097574	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-2H"	-2.014552
"82706"	943.412124	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M-H"	-1.007276
"520443"	1415.621824	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M-H"	-1.007276
"898973"	471.202424	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-H"	-1.007276
"51161"	960.438671	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M-2H+NH4"	16.019271
"492544"	1432.648371	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M-2H+NH4"	16.019271
"868159"	488.228971	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-2H+NH4"	16.019271
"35332"	965.394066	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M-2H+Na"	20.974666
"476351"	1437.603766	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M-2H+Na"	20.974666
"853789"	493.184366	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-2H+Na"	20.974666
"1630976"	493.184366	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Na-2H"	20.974666
"104227"	489.190763	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M-H+Cl"	33.962126
"544881"	725.295613	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M-H+Cl"	33.962126
"938030"	253.085913	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-H+Cl"	33.962126
"273672"	979.388802	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+Cl"	34.969402
"666092"	1451.598502	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+Cl"	34.969402
"1279590"	507.179102	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Cl"	34.969402
"24334"	981.368006	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M-2H+K"	36.948606
"466082"	1453.577706	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M-2H+K"	36.948606
"841696"	509.158306	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-2H+K"	36.948606
"1561903"	509.158306	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+K-2H"	36.948606
"949787"	517.207894	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-H+HCOOH"	44.998194
"373106"	989.417601	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+HCOOH-H"	44.998201
"359669"	1003.433251	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+Hac-H"	59.013851
"1504368"	531.223551	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Hac-H"	59.013851
"971909"	539.189851	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-H+NaCOOH"	66.980151
"123003"	507.179102	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+2Cl"	69.938804
"563294"	743.283952	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+2Cl"	69.938804
"1033187"	271.074252	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2Cl"	69.938804
"1250578"	551.128585	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Br"	78.918885
"1317035"	553.184572	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Cl+HCOOH"	80.974872
"1334532"	575.166529	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Cl+NaCOOH"	102.956829
"924494"	585.195286	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M-H+CF3COOH"	112.985586
"1299381"	621.171964	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Cl+CF3COOH"	148.962264
"1378637"	437.197024	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H-2H2O"	-35.012676
"1392852"	455.207	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H-H2O"	-17.0027
"291444"	945.426676	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+H"	1.007276
"686051"	1417.636376	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+H"	1.007276
"1363495"	473.216976	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H"	1.007276
"136385"	473.216976	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+2H"	2.014552
"577037"	709.321826	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+2H"	2.014552
"1050210"	237.112126	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2H"	2.014552
"214829"	315.813742666667	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+3H"	3.021828
"657672"	473.216976	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+3H"	3.021828
"1175799"	158.410509333333	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+3H"	3.021828
"434697"	962.453223	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+NH4"	18.033823
"794603"	1434.662923	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+NH4"	18.033823
"1690931"	490.243523	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+NH4"	18.033823
"340308"	481.7302495	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+H+NH4"	19.041099
"730541"	717.8350995	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+H+NH4"	19.041099
"1483629"	245.6253995	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H+NH4"	19.041099
"399757"	967.408618	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+Na"	22.989218
"767693"	1439.618318	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+Na"	22.989218
"1614331"	495.198918	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Na"	22.989218
"325463"	484.207947	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+H+Na"	23.996494
"719707"	720.312797	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+H+Na"	23.996494
"1474256"	248.103097	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H+Na"	23.996494
"1064949"	165.737823333333	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2H+Na"	25.00377
"1265533"	505.243186	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+CH3OH+H"	33.033486
"388483"	983.382558	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+K"	38.963158
"747291"	1455.592258	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+K"	38.963158
"1550443"	511.172858	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+K"	38.963158
"308711"	492.194917	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+H+K"	39.970434
"701131"	728.299767	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+H+K"	39.970434
"1455686"	256.090067	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H+K"	39.970434
"246110"	986.453226	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+ACN+H"	42.033826
"1216272"	514.243526	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+ACN+H"	42.033826
"1205621"	257.625401	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+ACN+2H"	43.041102
"190107"	989.39056	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+2Na-H"	44.97116
"629179"	1461.60026	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+2Na-H"	44.97116
"1133175"	517.18086	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2Na-H"	44.97116
"174633"	495.198918	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+2Na"	45.978436
"614560"	731.303768	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+2Na"	45.978436
"1117707"	259.094068	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2Na"	45.978436
"1401595"	173.065137333333	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H+2Na"	46.985712
"1431524"	519.222446	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H+HCOOH"	47.012746
"223040"	500.23194	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+3H2O+2H"	56.04448
"1511103"	533.27449	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+IsoProp+H"	61.06479
"410791"	503.185888	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+Na+K"	61.952376
"775432"	739.290738	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+Na+K"	61.952376
"1671765"	267.081038	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Na+K"	61.952376
"257191"	1008.435168	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+ACN+Na"	64.015768
"1227351"	536.225468	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+ACN+Na"	64.015768
"1716603"	536.248993	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+NH4+HCOOH"	64.039293
"1183414"	180.392451333333	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+3Na"	68.967654
"1652580"	541.204388	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Na+HCOOH"	68.994688
"161993"	1021.33844	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+2K-H"	76.91904
"599373"	1493.54814	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+2K-H"	76.91904
"1088258"	549.12874	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2K-H"	76.91904
"141747"	511.172858	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"2M+2K"	77.926316
"582812"	747.277708	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"3M+2K"	77.926316
"1069859"	275.068008	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2K"	77.926316
"1100476"	551.143292	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2K+H"	78.933592
"1336182"	551.230907	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+DMSO+H"	79.021207
"1005703"	555.270076	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2ACN+H"	83.060376
"1524271"	556.263708	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+IsoProp+Na+H"	84.054008
"990068"	278.138676	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+2ACN+2H"	84.067652
"1587682"	557.178328	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+K+HCOOH"	84.968628
"1415896"	587.209838	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+H+CF3COOH"	115.000138
"1154328"	298.651951	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+3ACN+2H"	125.094202
"1702785"	604.236385	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+NH4+CF3COOH"	132.026685
"1648276"	609.19178	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+Na+CF3COOH"	136.98208
"1578458"	625.16572	"C02027"	"Deoxylimonate;Deoxylimonic acid"	"C26H32O8"	"472.2097"	"M+K+CF3COOH"	152.95602
"816968"	221.1277	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M"	0
"985642"	202.10931	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-H2O-H"	-19.01839
"78252"	146.411190666667	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M-3H"	-3.021828
"518284"	220.120424	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M-3H"	-3.021828
"892354"	72.7019573333333	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-3H"	-3.021828
"10929"	220.120424	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M-2H"	-2.014552
"447210"	330.684274	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M-2H"	-2.014552
"825011"	109.556574	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-2H"	-2.014552
"81358"	441.248124	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M-H"	-1.007276
"521646"	662.375824	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M-H"	-1.007276
"897256"	220.120424	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-H"	-1.007276
"49814"	458.274671	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M-2H+NH4"	16.019271
"490467"	679.402371	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M-2H+NH4"	16.019271
"867176"	237.146971	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-2H+NH4"	16.019271
"33983"	463.230066	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M-2H+Na"	20.974666
"475733"	684.357766	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M-2H+Na"	20.974666
"860460"	242.102366	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-2H+Na"	20.974666
"1627809"	242.102366	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Na-2H"	20.974666
"98871"	238.108763	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M-H+Cl"	33.962126
"539525"	348.672613	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M-H+Cl"	33.962126
"933040"	127.544913	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-H+Cl"	33.962126
"273783"	477.224802	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+Cl"	34.969402
"667298"	698.352502	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+Cl"	34.969402
"1282984"	256.097102	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Cl"	34.969402
"28821"	479.204006	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M-2H+K"	36.948606
"464006"	700.331706	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M-2H+K"	36.948606
"843994"	258.076306	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-2H+K"	36.948606
"1568576"	258.076306	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+K-2H"	36.948606
"957553"	266.125894	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-H+HCOOH"	44.998194
"375040"	487.253601	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+HCOOH-H"	44.998201
"360395"	501.269251	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+Hac-H"	59.013851
"1507645"	280.141551	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Hac-H"	59.013851
"973487"	288.107851	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-H+NaCOOH"	66.980151
"117284"	256.097102	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+2Cl"	69.938804
"563404"	366.660952	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+2Cl"	69.938804
"1035850"	145.533252	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2Cl"	69.938804
"1256523"	300.046585	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Br"	78.918885
"1318850"	302.102572	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Cl+HCOOH"	80.974872
"1335008"	324.084529	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Cl+NaCOOH"	102.956829
"922419"	334.113286	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M-H+CF3COOH"	112.985586
"1300586"	370.089964	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Cl+CF3COOH"	148.962264
"1380934"	186.115024	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H-2H2O"	-35.012676
"1397700"	204.125	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H-H2O"	-17.0027
"291554"	443.262676	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+H"	1.007276
"681788"	664.390376	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+H"	1.007276
"1363605"	222.134976	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H"	1.007276
"137586"	222.134976	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+2H"	2.014552
"580065"	332.698826	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+2H"	2.014552
"1050320"	111.571126	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2H"	2.014552
"218592"	148.425742666667	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+3H"	3.021828
"658517"	222.134976	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+3H"	3.021828
"1175183"	74.7165093333333	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+3H"	3.021828
"434812"	460.289223	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+NH4"	18.033823
"793617"	681.416923	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+NH4"	18.033823
"1695424"	239.161523	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+NH4"	18.033823
"345533"	230.6482495	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+H+NH4"	19.041099
"731746"	341.2120995	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+H+NH4"	19.041099
"1484472"	120.0843995	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H+NH4"	19.041099
"407172"	465.244618	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+Na"	22.989218
"769261"	686.372318	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+Na"	22.989218
"1617361"	244.116918	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Na"	22.989218
"326668"	233.125947	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+H+Na"	23.996494
"715807"	343.689797	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+H+Na"	23.996494
"1471816"	122.562097	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H+Na"	23.996494
"1063966"	82.0438233333333	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2H+Na"	25.00377
"1267831"	254.161186	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+CH3OH+H"	33.033486
"383125"	481.218558	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+K"	38.963158
"751785"	702.346258	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+K"	38.963158
"1553472"	260.090858	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+K"	38.963158
"311011"	241.112917	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+H+K"	39.970434
"701977"	351.676767	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+H+K"	39.970434
"1455799"	130.549067	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H+K"	39.970434
"245495"	484.289226	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+ACN+H"	42.033826
"1220754"	263.161526	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+ACN+H"	42.033826
"1199536"	132.084401	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+ACN+2H"	43.041102
"194231"	487.22656	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+2Na-H"	44.97116
"631600"	708.35426	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+2Na-H"	44.97116
"1135105"	266.09886	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2Na-H"	44.97116
"174748"	244.116918	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+2Na"	45.978436
"615038"	354.680768	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+2Na"	45.978436
"1117571"	133.553068	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2Na"	45.978436
"1402437"	89.3711373333333	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H+2Na"	46.985712
"1432369"	268.140446	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H+HCOOH"	47.012746
"223157"	249.14994	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+3H2O+2H"	56.04448
"1512310"	282.19249	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+IsoProp+H"	61.06479
"412361"	252.103888	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+Na+K"	61.952376
"777735"	362.667738	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+Na+K"	61.952376
"1676251"	141.540038	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Na+K"	61.952376
"259493"	506.271168	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+ACN+Na"	64.015768
"1231472"	285.143468	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+ACN+Na"	64.015768
"1718901"	285.166993	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+NH4+HCOOH"	64.039293
"1185351"	96.6984513333333	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+3Na"	68.967654
"1658525"	290.122388	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Na+HCOOH"	68.994688
"157406"	519.17444	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+2K-H"	76.91904
"599847"	740.30214	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+2K-H"	76.91904
"1087276"	298.04674	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2K-H"	76.91904
"144093"	260.090858	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"2M+2K"	77.926316
"582554"	370.654708	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"3M+2K"	77.926316
"1068556"	149.527008	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2K"	77.926316
"1099948"	300.061292	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2K+H"	78.933592
"1339946"	300.148907	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+DMSO+H"	79.021207
"1011758"	304.188076	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2ACN+H"	83.060376
"1524771"	305.181708	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+IsoProp+Na+H"	84.054008
"990617"	152.597676	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+2ACN+2H"	84.067652
"1587305"	306.096328	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+K+HCOOH"	84.968628
"1415398"	336.127838	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+H+CF3COOH"	115.000138
"1154438"	173.110951	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+3ACN+2H"	125.094202
"1706175"	353.154385	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+NH4+CF3COOH"	132.026685
"1647292"	358.10978	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+Na+CF3COOH"	136.98208
"1578568"	374.08372	"C02029"	"Dihydrozeatin;2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine"	"C10H15N5O"	"221.1277"	"M+K+CF3COOH"	152.95602
"807843"	985.2823	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M"	0
"982468"	966.26391	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-H2O-H"	-19.01839
"76552"	655.847590666667	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M-3H"	-3.021828
"516839"	984.275024	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M-3H"	-3.021828
"889178"	327.420157333333	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-3H"	-3.021828
"14318"	984.275024	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M-2H"	-2.014552
"454247"	1476.916174	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M-2H"	-2.014552
"824030"	491.633874	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-2H"	-2.014552
"84022"	1969.557324	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M-H"	-1.007276
"526861"	2954.839624	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M-H"	-1.007276
"900289"	984.275024	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-H"	-1.007276
"55760"	1986.583871	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M-2H+NH4"	16.019271
"493132"	2971.866171	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M-2H+NH4"	16.019271
"876403"	1001.301571	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-2H+NH4"	16.019271
"41023"	1991.539266	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M-2H+Na"	20.974666
"482770"	2976.821566	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M-2H+Na"	20.974666
"862638"	1006.256966	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-2H+Na"	20.974666
"1627920"	1006.256966	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Na-2H"	20.974666
"104450"	1002.263363	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M-H+Cl"	33.962126
"547290"	1494.904513	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M-H+Cl"	33.962126
"941897"	509.622213	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-H+Cl"	33.962126
"280454"	2005.534002	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+Cl"	34.969402
"669595"	2990.816302	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+Cl"	34.969402
"1286373"	1020.251702	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Cl"	34.969402
"30714"	2007.513206	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M-2H+K"	36.948606
"469220"	2992.795506	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M-2H+K"	36.948606
"844104"	1022.230906	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-2H+K"	36.948606
"1568686"	1022.230906	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+K-2H"	36.948606
"957663"	1030.280494	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-H+HCOOH"	44.998194
"374783"	2015.562801	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+HCOOH-H"	44.998201
"360260"	2029.578451	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+Hac-H"	59.013851
"1508240"	1044.296151	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Hac-H"	59.013851
"973839"	1052.262451	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-H+NaCOOH"	66.980151
"125293"	1020.251702	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+2Cl"	69.938804
"564243"	1512.892852	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+2Cl"	69.938804
"1036206"	527.610552	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2Cl"	69.938804
"1255173"	1064.201185	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Br"	78.918885
"1318351"	1066.257172	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Cl+HCOOH"	80.974872
"1334389"	1088.239129	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Cl+NaCOOH"	102.956829
"922893"	1098.267886	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M-H+CF3COOH"	112.985586
"1299603"	1134.244564	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Cl+CF3COOH"	148.962264
"1379951"	950.269624	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H-2H2O"	-35.012676
"1396352"	968.2796	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H-H2O"	-17.0027
"292758"	1971.571876	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+H"	1.007276
"684084"	2956.854176	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+H"	1.007276
"1362622"	986.289576	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H"	1.007276
"137696"	986.289576	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+2H"	2.014552
"577260"	1478.930726	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+2H"	2.014552
"1050430"	493.648426	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2H"	2.014552
"218093"	657.862142666667	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+3H"	3.021828
"658506"	986.289576	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+3H"	3.021828
"1175536"	329.434709333333	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+3H"	3.021828
"433828"	1988.598423	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+NH4"	18.033823
"793727"	2973.880723	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+NH4"	18.033823
"1690065"	1003.316123	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+NH4"	18.033823
"339436"	994.8028495	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+H+NH4"	19.041099
"730763"	1487.4439995	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+H+NH4"	19.041099
"1483485"	502.1616995	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H+NH4"	19.041099
"404366"	1993.553818	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+Na"	22.989218
"768645"	2978.836118	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+Na"	22.989218
"1616742"	1008.271518	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Na"	22.989218
"326777"	997.280547	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+H+Na"	23.996494
"719197"	1489.921697	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+H+Na"	23.996494
"1473019"	504.639397	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H+Na"	23.996494
"1062983"	336.762023333333	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2H+Na"	25.00377
"1267941"	1018.315786	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+CH3OH+H"	33.033486
"384328"	2009.527758	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+K"	38.963158
"752625"	2994.810058	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+K"	38.963158
"1554677"	1024.245458	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+K"	38.963158
"314036"	1005.267517	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+H+K"	39.970434
"702818"	1497.908667	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+H+K"	39.970434
"1458095"	512.626367	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H+K"	39.970434
"247066"	2012.598426	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+ACN+H"	42.033826
"1220867"	1027.316126	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+ACN+H"	42.033826
"1201469"	514.161701	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+ACN+2H"	43.041102
"192517"	2015.53576	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+2Na-H"	44.97116
"632806"	3000.81806	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+2Na-H"	44.97116
"1132665"	1030.25346	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2Na-H"	44.97116
"176319"	1008.271518	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+2Na"	45.978436
"615510"	1500.912668	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+2Na"	45.978436
"1117563"	515.630368	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2Na"	45.978436
"1400727"	344.089337333333	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H+2Na"	46.985712
"1432479"	1032.295046	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H+HCOOH"	47.012746
"229100"	1013.30454	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+3H2O+2H"	56.04448
"1510964"	1046.34709	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+IsoProp+H"	61.06479
"411375"	1016.258488	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+Na+K"	61.952376
"775658"	1508.899638	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+Na+K"	61.952376
"1670894"	523.617338	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Na+K"	61.952376
"258510"	2034.580368	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+ACN+Na"	64.015768
"1233405"	1049.298068	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+ACN+Na"	64.015768
"1719011"	1049.321593	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+NH4+HCOOH"	64.039293
"1189836"	351.416651333333	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+3Na"	68.967654
"1663009"	1054.276988	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Na+HCOOH"	68.994688
"163315"	2047.48364	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+2K-H"	76.91904
"603969"	3032.76594	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+2K-H"	76.91904
"1090667"	1062.20134	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2K-H"	76.91904
"146392"	1024.245458	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"2M+2K"	77.926316
"583762"	1516.886608	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"3M+2K"	77.926316
"1069731"	531.604308	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2K"	77.926316
"1105858"	1064.215892	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2K+H"	78.933592
"1342244"	1064.303507	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+DMSO+H"	79.021207
"1011868"	1068.342676	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2ACN+H"	83.060376
"1528899"	1069.336308	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+IsoProp+Na+H"	84.054008
"991338"	534.674976	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+2ACN+2H"	84.067652
"1590944"	1070.250928	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+K+HCOOH"	84.968628
"1420979"	1100.282438	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+H+CF3COOH"	115.000138
"1155641"	555.188251	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+3ACN+2H"	125.094202
"1708472"	1117.308985	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+NH4+CF3COOH"	132.026685
"1646309"	1122.26438	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+Na+CF3COOH"	136.98208
"1578678"	1138.23832	"C02030"	"Farnesoyl-CoA"	"C36H58N7O17P3S"	"985.2823"	"M+K+CF3COOH"	152.95602
"814515"	463.3006	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M"	0
"985866"	444.28221	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-H2O-H"	-19.01839
"75206"	307.859790666667	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M-3H"	-3.021828
"518049"	462.293324	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M-3H"	-3.021828
"891480"	153.426257333333	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-3H"	-3.021828
"12240"	462.293324	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M-2H"	-2.014552
"449616"	693.943624	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M-2H"	-2.014552
"828512"	230.643024	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-2H"	-2.014552
"79392"	925.593924	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M-H"	-1.007276
"518825"	1388.894524	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M-H"	-1.007276
"897846"	462.293324	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-H"	-1.007276
"50399"	942.620471	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M-2H+NH4"	16.019271
"489230"	1405.921071	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M-2H+NH4"	16.019271
"867030"	479.319871	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-2H+NH4"	16.019271
"36027"	947.575866	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M-2H+Na"	20.974666
"474492"	1410.876466	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M-2H+Na"	20.974666
"857035"	484.275266	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-2H+Na"	20.974666
"1623656"	484.275266	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Na-2H"	20.974666
"104558"	480.281663	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M-H+Cl"	33.962126
"535611"	711.931963	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M-H+Cl"	33.962126
"937633"	248.631363	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-H+Cl"	33.962126
"279469"	961.570602	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+Cl"	34.969402
"670797"	1424.871202	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+Cl"	34.969402
"1283200"	498.270002	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Cl"	34.969402
"26849"	963.549806	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M-2H+K"	36.948606
"462035"	1426.850406	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M-2H+K"	36.948606
"836558"	500.249206	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-2H+K"	36.948606
"1558952"	500.249206	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+K-2H"	36.948606
"950117"	508.298794	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-H+HCOOH"	44.998194
"376810"	971.599401	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+HCOOH-H"	44.998201
"360604"	985.615051	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+Hac-H"	59.013851
"1508267"	522.314451	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Hac-H"	59.013851
"971145"	530.280751	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-H+NaCOOH"	66.980151
"123334"	498.270002	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+2Cl"	69.938804
"564716"	729.920302	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+2Cl"	69.938804
"1035949"	266.619702	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2Cl"	69.938804
"1253093"	542.219485	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Br"	78.918885
"1317726"	544.275472	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Cl+HCOOH"	80.974872
"1330850"	566.257429	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Cl+NaCOOH"	102.956829
"924825"	576.286186	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M-H+CF3COOH"	112.985586
"1294243"	612.262864	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Cl+CF3COOH"	148.962264
"1381154"	428.287924	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H-2H2O"	-35.012676
"1394275"	446.2979	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H-H2O"	-17.0027
"296150"	927.608476	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+H"	1.007276
"684195"	1390.909076	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+H"	1.007276
"1362732"	464.307876	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H"	1.007276
"137807"	464.307876	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+2H"	2.014552
"574089"	695.958176	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+2H"	2.014552
"1051278"	232.657576	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2H"	2.014552
"217847"	309.874342666667	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+3H"	3.021828
"658136"	464.307876	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+3H"	3.021828
"1175647"	155.440809333333	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+3H"	3.021828
"432845"	944.635023	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+NH4"	18.033823
"793844"	1407.935623	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+NH4"	18.033823
"1692363"	481.334423	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+NH4"	18.033823
"342463"	472.8211495	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+H+NH4"	19.041099
"733061"	704.4714495	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+H+NH4"	19.041099
"1490172"	241.1708495	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H+NH4"	19.041099
"405571"	949.590418	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+Na"	22.989218
"768637"	1412.891018	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+Na"	22.989218
"1617464"	486.289818	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Na"	22.989218
"325797"	475.298847	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+H+Na"	23.996494
"719312"	706.949147	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+H+Na"	23.996494
"1470945"	243.648547	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H+Na"	23.996494
"1061638"	162.768123333333	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2H+Na"	25.00377
"1267687"	496.334086	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+CH3OH+H"	33.033486
"391010"	965.564358	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+K"	38.963158
"752735"	1428.864958	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+K"	38.963158
"1552601"	502.263758	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+K"	38.963158
"308686"	483.285817	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+H+K"	39.970434
"699285"	714.936117	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+H+K"	39.970434
"1455293"	251.635517	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H+K"	39.970434
"246082"	968.635026	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+ACN+H"	42.033826
"1217697"	505.334426	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+ACN+H"	42.033826
"1198298"	253.170851	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+ACN+2H"	43.041102
"191532"	971.57236	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+2Na-H"	44.97116
"635103"	1434.87296	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+2Na-H"	44.97116
"1136422"	508.27176	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2Na-H"	44.97116
"176430"	486.289818	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+2Na"	45.978436
"613921"	717.940118	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+2Na"	45.978436
"1119132"	254.639518	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2Na"	45.978436
"1400715"	170.095437333333	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H+2Na"	46.985712
"1431847"	510.313346	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H+HCOOH"	47.012746
"222278"	491.32284	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+3H2O+2H"	56.04448
"1510707"	524.36539	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+IsoProp+H"	61.06479
"409012"	494.276788	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+Na+K"	61.952376
"773939"	725.927088	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+Na+K"	61.952376
"1669182"	262.626488	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Na+K"	61.952376
"255706"	990.616968	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+ACN+Na"	64.015768
"1232425"	527.316368	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+ACN+Na"	64.015768
"1722406"	527.339893	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+NH4+HCOOH"	64.039293
"1188853"	177.422751333333	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+3Na"	68.967654
"1655468"	532.295288	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Na+HCOOH"	68.994688
"163424"	1003.52024	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+2K-H"	76.91904
"604078"	1466.82084	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+2K-H"	76.91904
"1089684"	540.21964	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2K-H"	76.91904
"142609"	502.263758	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"2M+2K"	77.926316
"589339"	733.914058	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"3M+2K"	77.926316
"1070691"	270.613458	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2K"	77.926316
"1105968"	542.234192	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2K+H"	78.933592
"1346726"	542.321807	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+DMSO+H"	79.021207
"1014165"	546.360976	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2ACN+H"	83.060376
"1529009"	547.354608	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+IsoProp+Na+H"	84.054008
"997643"	273.684126	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+2ACN+2H"	84.067652
"1591054"	548.269228	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+K+HCOOH"	84.968628
"1416714"	578.300738	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+H+CF3COOH"	115.000138
"1150283"	294.197401	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+3ACN+2H"	125.094202
"1703115"	595.327285	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+NH4+CF3COOH"	132.026685
"1645327"	600.28268	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+Na+CF3COOH"	136.98208
"1582070"	616.25662	"C02033"	"Gentamicin C2"	"C20H41N5O7"	"463.3006"	"M+K+CF3COOH"	152.95602
"812438"	362.1729	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M"	0
"988161"	343.15451	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"75316"	240.441324	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"512690"	361.165624	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"889404"	119.717024	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"11258"	361.165624	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"447540"	542.252074	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"824247"	180.079174	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"80959"	723.338524	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"519545"	1085.511424	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"898320"	361.165624	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"50508"	740.365071	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"492257"	1102.537971	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"871515"	378.192171	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"37229"	745.320466	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"476791"	1107.493366	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"859332"	383.147566	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1621579"	383.147566	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"97013"	379.153963	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"540948"	560.240413	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"937743"	198.067513	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"273019"	759.315202	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"666533"	1121.488102	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1280030"	397.142302	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"23678"	761.294406	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"458863"	1123.467306	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"837760"	399.121506	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1561248"	399.121506	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"949133"	407.171094	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"376713"	769.344001	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"361166"	783.359651	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1508325"	421.186751	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"972714"	429.153051	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"123444"	397.142302	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"564339"	578.228752	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1035449"	216.055852	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1255026"	441.091785	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1316743"	443.147772	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1324399"	465.129729	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"916551"	475.158486	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1294353"	511.135164	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1376888"	327.160224	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1393291"	345.1702	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"290790"	725.353076	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"685398"	1087.525976	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1365028"	363.180176	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"140104"	363.180176	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"580275"	544.266626	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1046281"	182.093726	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"217836"	242.455876	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"659214"	363.180176	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1175148"	121.731576	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"434047"	742.379623	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"792860"	1104.552523	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1690286"	380.206723	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"337470"	371.6934495	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"726974"	552.7798995	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1490648"	190.6069995	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"406047"	747.335018	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"767409"	1109.507918	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1617212"	385.162118	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"326637"	374.171147	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"718694"	555.257597	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1471055"	193.084697	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1063203"	129.05889	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1265974"	395.206386	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"384563"	763.308958	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"748108"	1125.481858	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1547247"	401.136058	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"303696"	382.158117	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"695387"	563.244567	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1454311"	201.071667	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"240725"	766.379626	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1214161"	404.206726	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1197679"	202.607001	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"188623"	769.31696	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"633027"	1131.48986	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1139812"	407.14406	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"176904"	385.162118	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"615365"	566.248568	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1118138"	204.075668	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1400579"	136.386204	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1431592"	409.185646	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"221291"	390.19514	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1511913"	423.23769	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"415975"	393.149088	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"774416"	574.235538	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1671116"	212.062638	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"259826"	788.361568	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1234721"	426.188668	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1723609"	426.212193	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1188963"	143.713518	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1662138"	431.167588	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"161347"	801.26484	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"602001"	1163.43774	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1088701"	439.09194	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"144057"	401.136058	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"589450"	582.222508	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1068978"	220.049608	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1103891"	441.106492	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1346836"	441.194107	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1012088"	445.233276	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1530213"	446.226908	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"998846"	223.120276	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1593350"	447.141528	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1416824"	477.173038	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1152580"	243.633551	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1706505"	494.199585	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1646530"	499.15498	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1578900"	515.12892	"C02034"	"Gibberellin A19;Gibberellin 19"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"815464"	332.1624	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M"	0
"987178"	313.14401	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-H2O-H"	-19.01839
"74333"	220.434324	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M-3H"	-3.021828
"516082"	331.155124	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M-3H"	-3.021828
"892793"	109.713524	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-3H"	-3.021828
"11368"	331.155124	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M-2H"	-2.014552
"450930"	497.236324	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M-2H"	-2.014552
"826544"	165.073924	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-2H"	-2.014552
"85442"	663.317524	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M-H"	-1.007276
"523910"	995.479924	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M-H"	-1.007276
"898795"	331.155124	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-H"	-1.007276
"51712"	680.344071	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M-2H+NH4"	16.019271
"495649"	1012.506471	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M-2H+NH4"	16.019271
"871261"	348.181671	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-2H+NH4"	16.019271
"36245"	685.299466	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M-2H+Na"	20.974666
"476538"	1017.461866	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M-2H+Na"	20.974666
"859808"	353.137066	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-2H+Na"	20.974666
"1618646"	353.137066	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Na-2H"	20.974666
"98218"	349.143463	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M-H+Cl"	33.962126
"536685"	515.224663	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M-H+Cl"	33.962126
"935667"	183.062263	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-H+Cl"	33.962126
"273129"	699.294202	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+Cl"	34.969402
"668830"	1031.456602	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+Cl"	34.969402
"1283420"	367.131802	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Cl"	34.969402
"27799"	701.273406	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M-2H+K"	36.948606
"460068"	1033.435806	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M-2H+K"	36.948606
"836777"	369.111006	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-2H+K"	36.948606
"1559171"	369.111006	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+K-2H"	36.948606
"950336"	377.160594	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-H+HCOOH"	44.998194
"372566"	709.323001	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+HCOOH-H"	44.998201
"359365"	723.338651	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+Hac-H"	59.013851
"1502364"	391.176251	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Hac-H"	59.013851
"973189"	399.142551	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-H+NaCOOH"	66.980151
"123554"	367.131802	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+2Cl"	69.938804
"561654"	533.213002	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+2Cl"	69.938804
"1035195"	201.050602	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2Cl"	69.938804
"1256473"	411.081285	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Br"	78.918885
"1313574"	413.137272	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Cl+HCOOH"	80.974872
"1327790"	435.119229	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Cl+NaCOOH"	102.956829
"913381"	445.147986	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M-H+CF3COOH"	112.985586
"1292276"	481.124664	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Cl+CF3COOH"	148.962264
"1376998"	297.149724	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H-2H2O"	-35.012676
"1386841"	315.1597	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H-H2O"	-17.0027
"290900"	665.332076	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+H"	1.007276
"684415"	997.494476	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+H"	1.007276
"1364045"	333.169676	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H"	1.007276
"140214"	333.169676	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+2H"	2.014552
"574308"	499.250876	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+2H"	2.014552
"1046391"	167.088476	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2H"	2.014552
"218916"	222.448876	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+3H"	3.021828
"659201"	333.169676	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+3H"	3.021828
"1175258"	111.728076	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+3H"	3.021828
"436343"	682.358623	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+NH4"	18.033823
"794063"	1014.521023	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+NH4"	18.033823
"1690396"	350.196223	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+NH4"	18.033823
"335027"	341.6829495	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+H+NH4"	19.041099
"728906"	507.7641495	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+H+NH4"	19.041099
"1490029"	175.6017495	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H+NH4"	19.041099
"404333"	687.314018	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+Na"	22.989218
"769099"	1019.476418	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+Na"	22.989218
"1617810"	355.151618	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Na"	22.989218
"325289"	344.160647	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+H+Na"	23.996494
"718804"	510.241847	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+H+Na"	23.996494
"1471164"	178.079447	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H+Na"	23.996494
"1061126"	119.05539	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2H+Na"	25.00377
"1264990"	365.195886	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+CH3OH+H"	33.033486
"387224"	703.287958	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+K"	38.963158
"750040"	1035.450358	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+K"	38.963158
"1548451"	371.125558	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+K"	38.963158
"303806"	352.147617	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+H+K"	39.970434
"699143"	518.228817	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+H+K"	39.970434
"1456608"	186.066417	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H+K"	39.970434
"241928"	706.358626	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+ACN+H"	42.033826
"1213907"	374.196226	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+ACN+H"	42.033826
"1199613"	187.601751	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+ACN+2H"	43.041102
"189931"	709.29596	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+2Na-H"	44.97116
"634594"	1041.45836	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+2Na-H"	44.97116
"1139922"	377.13356	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2Na-H"	44.97116
"175920"	355.151618	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+2Na"	45.978436
"614502"	521.232818	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+2Na"	45.978436
"1117155"	189.070418	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2Na"	45.978436
"1401058"	126.382704	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H+2Na"	46.985712
"1431338"	379.175146	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H+HCOOH"	47.012746
"222497"	360.18464	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+3H2O+2H"	56.04448
"1512385"	393.22719	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+IsoProp+H"	61.06479
"416085"	363.138588	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+Na+K"	61.952376
"773433"	529.219788	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+Na+K"	61.952376
"1671227"	197.057388	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Na+K"	61.952376
"256653"	728.340568	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+ACN+Na"	64.015768
"1234467"	396.178168	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+ACN+Na"	64.015768
"1718250"	396.201693	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+NH4+HCOOH"	64.039293
"1184698"	133.710018	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+3Na"	68.967654
"1661153"	401.157088	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Na+HCOOH"	68.994688
"166921"	741.24384	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+2K-H"	76.91904
"610494"	1073.40624	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+2K-H"	76.91904
"1088811"	409.08144	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2K-H"	76.91904
"145626"	371.125558	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"2M+2K"	77.926316
"583605"	537.206758	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"3M+2K"	77.926316
"1072979"	205.044358	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2K"	77.926316
"1106189"	411.095992	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2K+H"	78.933592
"1339293"	411.183607	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+DMSO+H"	79.021207
"1013294"	415.222776	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2ACN+H"	83.060376
"1532510"	416.216408	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+IsoProp+Na+H"	84.054008
"997863"	208.115026	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+2ACN+2H"	84.067652
"1593460"	417.131028	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+K+HCOOH"	84.968628
"1416933"	447.162538	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+H+CF3COOH"	115.000138
"1150503"	228.628301	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+3ACN+2H"	125.094202
"1706615"	464.189085	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+NH4+CF3COOH"	132.026685
"1643360"	469.14448	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+Na+CF3COOH"	136.98208
"1579010"	485.11842	"C02035"	"Gibberellin A20;Gibberellin 20"	"C19H24O5"	"332.1624"	"M+K+CF3COOH"	152.95602
"814845"	132.0535	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M"	0
"987289"	113.03511	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"77724"	87.0283906666667	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"515097"	131.046224	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"895528"	43.0105573333333	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"15491"	131.046224	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"455295"	197.072974	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"832639"	65.019474	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"92966"	263.099724	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"522929"	395.153224	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"904010"	131.046224	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"55105"	280.126271	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"495759"	412.179771	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"879150"	148.072771	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"42553"	285.081666	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"482115"	417.135166	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"860647"	153.028166	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1619247"	153.028166	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"103795"	149.034563	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"542262"	215.061313	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"938328"	83.007813	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"276519"	299.076402	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"670033"	431.129902	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1283530"	167.022902	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"29002"	301.055606	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"465645"	433.109106	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"840168"	169.002106	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1560374"	169.002106	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"953727"	177.051694	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"376324"	309.105201	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"360977"	323.120851	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1506729"	191.067351	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"973300"	199.033651	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"125649"	167.022902	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"562857"	233.049652	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1036156"	100.996152	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1255976"	210.972385	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1316964"	213.028372	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1331180"	235.010329	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"920050"	245.039086	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1294573"	281.015764	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1380024"	97.040824	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1389137"	115.0508	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"291010"	265.114276	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"684525"	397.167776	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1364155"	133.060776	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"140689"	133.060776	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"578792"	199.087526	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1046501"	67.034026	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"219026"	89.0429426666667	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"659437"	133.060776	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1176097"	45.0251093333333	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"434268"	282.140823	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"795266"	414.194323	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1693422"	150.087323	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"337689"	141.5740495	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"730108"	207.6007995	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1490501"	75.5472995	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"408087"	287.096218	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"767263"	419.149718	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1616456"	155.042718	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"328313"	144.051747	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"718549"	210.078497	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1474189"	78.024997	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1062330"	52.3524233333333	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1267286"	165.086986	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"392067"	303.070158	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"753426"	435.123658	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1552198"	171.016658	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"311200"	152.038717	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"704718"	218.065467	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1457805"	86.011967	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"249691"	306.140826	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1221306"	174.087326	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1198629"	87.547301	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"200247"	309.07816	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"635433"	441.13166	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1140031"	177.02466	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"180040"	155.042718	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"615587"	221.069468	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1117277"	89.015968	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1405543"	59.6797373333333	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1432909"	179.066246	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"222973"	160.07574	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1512132"	193.11829	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"416196"	163.029688	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"773180"	229.056438	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1674617"	97.002938	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"260043"	328.122768	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1236034"	196.069268	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1720547"	196.092793	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1186996"	67.0070513333333	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1664301"	201.048188	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"168124"	341.02604	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"611821"	473.07954	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1092203"	208.97254	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"150110"	171.016658	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"590764"	237.043408	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1074184"	104.989908	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1107393"	210.987092	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1341591"	211.074707	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1014497"	215.113876	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1531527"	216.107508	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"997973"	108.060576	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1593571"	217.022128	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1420324"	247.053638	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1152800"	128.573851	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1706725"	264.080185	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1643470"	269.03558	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1576933"	285.00952	"C02037"	"Glycylglycine;N-Glycylglycine"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"816049"	133.0528	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M"	0
"989465"	114.03441	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-H2O-H"	-19.01839
"73461"	87.6945906666667	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M-3H"	-3.021828
"516670"	132.045524	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M-3H"	-3.021828
"893742"	43.3436573333333	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-3H"	-3.021828
"9402"	132.045524	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M-2H"	-2.014552
"452244"	198.571924	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M-2H"	-2.014552
"831018"	65.519124	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-2H"	-2.014552
"88947"	265.098324	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M-H"	-1.007276
"524133"	398.151124	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M-H"	-1.007276
"905215"	132.045524	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-H"	-1.007276
"58495"	282.124871	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M-2H+NH4"	16.019271
"498056"	415.177671	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M-2H+NH4"	16.019271
"875857"	149.072071	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-2H+NH4"	16.019271
"42663"	287.080266	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M-2H+Na"	20.974666
"485873"	420.133066	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M-2H+Na"	20.974666
"863798"	154.027466	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-2H+Na"	20.974666
"1626283"	154.027466	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Na-2H"	20.974666
"107915"	150.033863	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M-H+Cl"	33.962126
"540186"	216.560263	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M-H+Cl"	33.962126
"939168"	83.507463	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-H+Cl"	33.962126
"281613"	301.075002	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+Cl"	34.969402
"674641"	434.127802	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+Cl"	34.969402
"1284734"	168.022202	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Cl"	34.969402
"29478"	303.054206	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M-2H+K"	36.948606
"464662"	436.107006	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M-2H+K"	36.948606
"842464"	170.001406	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-2H+K"	36.948606
"1560484"	170.001406	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+K-2H"	36.948606
"951648"	178.050994	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-H+HCOOH"	44.998194
"370960"	311.103801	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+HCOOH-H"	44.998201
"361377"	325.119451	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+Hac-H"	59.013851
"1505862"	192.066651	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Hac-H"	59.013851
"969031"	200.032951	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-H+NaCOOH"	66.980151
"125686"	168.022202	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+2Cl"	69.938804
"562967"	234.548602	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+2Cl"	69.938804
"1033955"	101.495802	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2Cl"	69.938804
"1256857"	211.971685	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Br"	78.918885
"1311606"	214.027672	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Cl+HCOOH"	80.974872
"1331289"	236.009629	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Cl+NaCOOH"	102.956829
"916880"	246.038386	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M-H+CF3COOH"	112.985586
"1294683"	282.015064	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Cl+CF3COOH"	148.962264
"1377218"	98.040124	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H-2H2O"	-35.012676
"1387061"	116.0501	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H-H2O"	-17.0027
"294401"	267.112876	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+H"	1.007276
"685728"	400.165676	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+H"	1.007276
"1364264"	134.060076	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H"	1.007276
"141272"	134.060076	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+2H"	2.014552
"575624"	200.586476	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+2H"	2.014552
"1047703"	67.533676	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2H"	2.014552
"213419"	89.7091426666667	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+3H"	3.021828
"650792"	134.060076	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+3H"	3.021828
"1175480"	45.3582093333333	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+3H"	3.021828
"432191"	284.139423	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+NH4"	18.033823
"795376"	417.192223	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+NH4"	18.033823
"1693532"	151.086623	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+NH4"	18.033823
"337799"	142.5733495	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+H+NH4"	19.041099
"737882"	209.0997495	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+H+NH4"	19.041099
"1488421"	76.0469495	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H+NH4"	19.041099
"404914"	289.094818	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+Na"	22.989218
"765910"	422.147618	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+Na"	22.989218
"1611821"	156.042018	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Na"	22.989218
"322952"	145.051047	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+H+Na"	23.996494
"715376"	211.577447	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+H+Na"	23.996494
"1469197"	78.524647	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H+Na"	23.996494
"1063536"	52.6855233333333	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2H+Na"	25.00377
"1270319"	166.086286	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+CH3OH+H"	33.033486
"387802"	305.068758	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+K"	38.963158
"750253"	438.121558	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+K"	38.963158
"1551217"	172.015958	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+K"	38.963158
"311674"	153.038017	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+H+K"	39.970434
"705920"	219.564417	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+H+K"	39.970434
"1459015"	86.511617	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H+K"	39.970434
"247612"	308.139426	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+ACN+H"	42.033826
"1215948"	175.086626	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+ACN+H"	42.033826
"1204206"	88.046951	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+ACN+2H"	43.041102
"192339"	311.07676	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+2Na-H"	44.97116
"631167"	444.12956	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+2Na-H"	44.97116
"1136496"	178.02396	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2Na-H"	44.97116
"178328"	156.042018	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+2Na"	45.978436
"617162"	222.568418	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+2Na"	45.978436
"1119940"	89.515618	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2Na"	45.978436
"1408933"	60.0128373333333	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H+2Na"	46.985712
"1432654"	180.065546	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H+HCOOH"	47.012746
"222357"	161.07504	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+3H2O+2H"	56.04448
"1513338"	194.11759	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+IsoProp+H"	61.06479
"410469"	164.028988	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+Na+K"	61.952376
"772192"	230.555388	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+Na+K"	61.952376
"1671445"	97.502588	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Na+K"	61.952376
"261245"	330.121368	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+ACN+Na"	64.015768
"1235051"	197.068568	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+ACN+Na"	64.015768
"1718470"	197.092093	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+NH4+HCOOH"	64.039293
"1187105"	67.3401513333333	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+3Na"	68.967654
"1661373"	202.047488	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Na+HCOOH"	68.994688
"172700"	343.02464	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+2K-H"	76.91904
"611932"	476.07744	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+2K-H"	76.91904
"1093405"	209.97184	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2K-H"	76.91904
"153500"	172.015958	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"2M+2K"	77.926316
"591968"	238.542358	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"3M+2K"	77.926316
"1075387"	105.489558	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2K"	77.926316
"1108597"	211.986392	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2K+H"	78.933592
"1342794"	212.074007	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+DMSO+H"	79.021207
"1014607"	216.113176	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2ACN+H"	83.060376
"1531638"	217.106808	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+IsoProp+Na+H"	84.054008
"995895"	108.560226	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+2ACN+2H"	84.067652
"1594773"	218.021428	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+K+HCOOH"	84.968628
"1420434"	248.052938	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+H+CF3COOH"	115.000138
"1154003"	129.073501	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+3ACN+2H"	125.094202
"1702462"	265.079485	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+NH4+CF3COOH"	132.026685
"1643580"	270.03488	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+Na+CF3COOH"	136.98208
"1577043"	286.00882	"C02040"	"Hydroxyindole;4-Hydroxyindole"	"C8H7NO"	"133.0528"	"M+K+CF3COOH"	152.95602
"812879"	1061.4075	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M"	0
"988848"	1042.38911	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H2O-H"	-19.01839
"74661"	706.597724	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-3H"	-3.021828
"509849"	1060.400224	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-3H"	-3.021828
"892027"	352.795224	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-3H"	-3.021828
"15141"	1060.400224	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H"	-2.014552
"455396"	1591.103974	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H"	-2.014552
"831617"	529.696474	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H"	-2.014552
"91243"	2121.807724	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-H"	-1.007276
"526430"	3183.215224	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-H"	-1.007276
"910306"	1060.400224	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H"	-1.007276
"61522"	2138.834271	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H+NH4"	16.019271
"500353"	3200.241771	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H+NH4"	16.019271
"879797"	1077.426771	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H+NH4"	16.019271
"45326"	2143.789666	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H+Na"	20.974666
"486845"	3205.197166	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H+Na"	20.974666
"864074"	1082.382166	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H+Na"	20.974666
"1628580"	1082.382166	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na-2H"	20.974666
"109322"	1078.388563	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-H+Cl"	33.962126
"544670"	1609.092313	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-H+Cl"	33.962126
"935997"	547.684813	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+Cl"	33.962126
"281114"	2157.784402	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Cl"	34.969402
"671349"	3219.191902	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+Cl"	34.969402
"1284844"	1096.376902	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl"	34.969402
"28860"	2159.763606	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H+K"	36.948606
"466959"	3221.171106	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H+K"	36.948606
"840387"	1098.356106	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H+K"	36.948606
"1559501"	1098.356106	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K-2H"	36.948606
"951758"	1106.405694	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+HCOOH"	44.998194
"371070"	2167.813201	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+HCOOH-H"	44.998201
"360913"	2181.828851	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Hac-H"	59.013851
"1506339"	1120.421351	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Hac-H"	59.013851
"969140"	1128.387651	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+NaCOOH"	66.980151
"122425"	1096.376902	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2Cl"	69.938804
"561984"	1627.080652	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2Cl"	69.938804
"1034065"	565.673152	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2Cl"	69.938804
"1254373"	1140.326385	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Br"	78.918885
"1314996"	1142.382372	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl+HCOOH"	80.974872
"1324839"	1164.364329	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl+NaCOOH"	102.956829
"915896"	1174.393086	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+CF3COOH"	112.985586
"1291512"	1210.369764	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl+CF3COOH"	148.962264
"1370767"	1026.394824	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H-2H2O"	-35.012676
"1387170"	1044.4048	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H-H2O"	-17.0027
"294511"	2123.822276	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H"	1.007276
"683651"	3185.229776	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H"	1.007276
"1361094"	1062.414776	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H"	1.007276
"138357"	1062.414776	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2H"	2.014552
"573547"	1593.118526	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2H"	2.014552
"1043439"	531.711026	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2H"	2.014552
"213529"	708.612276	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+3H"	3.021828
"648716"	1062.414776	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+3H"	3.021828
"1176319"	354.809776	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+3H"	3.021828
"429021"	2140.848823	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+NH4"	18.033823
"794393"	3202.256323	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+NH4"	18.033823
"1688537"	1079.441323	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+NH4"	18.033823
"337909"	1070.9280495	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H+NH4"	19.041099
"736899"	1601.6317995	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H+NH4"	19.041099
"1488531"	540.2242995	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+NH4"	19.041099
"403931"	2145.804218	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Na"	22.989218
"766749"	3207.211718	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+Na"	22.989218
"1611931"	1084.396718	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na"	22.989218
"321969"	1073.405747	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H+Na"	23.996494
"715122"	1604.109497	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H+Na"	23.996494
"1469307"	542.701997	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+Na"	23.996494
"1063646"	362.13709	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2H+Na"	25.00377
"1265325"	1094.440986	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+CH3OH+H"	33.033486
"389733"	2161.778158	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+K"	38.963158
"751821"	3223.185658	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+K"	38.963158
"1549135"	1100.370658	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K"	38.963158
"310690"	1081.392717	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H+K"	39.970434
"704203"	1612.096467	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H+K"	39.970434
"1458757"	550.688967	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+K"	39.970434
"247721"	2164.848826	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+ACN+H"	42.033826
"1218245"	1103.441326	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+ACN+H"	42.033826
"1198848"	552.224301	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+ACN+2H"	43.041102
"193906"	2167.78616	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2Na-H"	44.97116
"631644"	3229.19366	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2Na-H"	44.97116
"1134420"	1106.37866	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2Na-H"	44.97116
"179169"	1084.396718	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2Na"	45.978436
"619822"	1615.100468	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2Na"	45.978436
"1117618"	553.692968	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2Na"	45.978436
"1403572"	369.464404	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+2Na"	46.985712
"1442254"	1108.420246	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+HCOOH"	47.012746
"221372"	1089.42974	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+3H2O+2H"	56.04448
"1511261"	1122.47229	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+IsoProp+H"	61.06479
"410215"	1092.383688	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Na+K"	61.952376
"771574"	1623.087438	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+Na+K"	61.952376
"1671555"	561.679938	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na+K"	61.952376
"261355"	2186.830768	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+ACN+Na"	64.015768
"1235161"	1125.423268	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+ACN+Na"	64.015768
"1722953"	1125.446793	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+NH4+HCOOH"	64.039293
"1189402"	376.791718	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+3Na"	68.967654
"1661483"	1130.402188	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na+HCOOH"	68.994688
"172767"	2199.73404	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2K-H"	76.91904
"612806"	3261.14154	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2K-H"	76.91904
"1096796"	1138.32654	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2K-H"	76.91904
"153610"	1100.370658	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2K"	77.926316
"592078"	1631.074408	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2K"	77.926316
"1078777"	569.666908	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2K"	77.926316
"1108707"	1140.341092	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2K+H"	78.933592
"1342903"	1140.428707	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+DMSO+H"	79.021207
"1014715"	1144.467876	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2ACN+H"	83.060376
"1537213"	1145.461508	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+IsoProp+Na+H"	84.054008
"1003540"	572.737576	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2ACN+2H"	84.067652
"1594883"	1146.376128	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K+HCOOH"	84.968628
"1419450"	1176.407638	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+CF3COOH"	115.000138
"1156300"	593.250851	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+3ACN+2H"	125.094202
"1706946"	1193.434185	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+NH4+CF3COOH"	132.026685
"1643690"	1198.38958	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na+CF3COOH"	136.98208
"1577153"	1214.36352	"C02041"	"Eicosanoyl-CoA;Icosanoyl-CoA;Arachidoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K+CF3COOH"	152.95602
"812989"	205.0739	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M"	0
"988958"	186.05551	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-H2O-H"	-19.01839
"73679"	135.708657333333	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M-3H"	-3.021828
"508865"	204.066624	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M-3H"	-3.021828
"884480"	67.3506906666667	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-3H"	-3.021828
"8523"	204.066624	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M-2H"	-2.014552
"453188"	306.603574	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M-2H"	-2.014552
"831356"	101.529674	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-2H"	-2.014552
"92811"	409.140524	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M-H"	-1.007276
"529819"	614.214424	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M-H"	-1.007276
"905435"	204.066624	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-H"	-1.007276
"59808"	426.167071	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M-2H+NH4"	16.019271
"501434"	631.240971	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M-2H+NH4"	16.019271
"877169"	221.093171	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-2H+NH4"	16.019271
"43979"	431.122466	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M-2H+Na"	20.974666
"486702"	636.196366	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M-2H+Na"	20.974666
"864176"	226.048566	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-2H+Na"	20.974666
"1628690"	226.048566	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Na-2H"	20.974666
"107406"	222.054963	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M-H+Cl"	33.962126
"544780"	324.591913	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M-H+Cl"	33.962126
"938294"	119.518013	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-H+Cl"	33.962126
"279767"	445.117202	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+Cl"	34.969402
"671458"	650.191102	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+Cl"	34.969402
"1284591"	240.043302	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Cl"	34.969402
"28605"	447.096406	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M-2H+K"	36.948606
"467069"	652.170306	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M-2H+K"	36.948606
"842684"	242.022506	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-2H+K"	36.948606
"1559611"	242.022506	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+K-2H"	36.948606
"950775"	250.072094	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-H+HCOOH"	44.998194
"372273"	455.146001	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+HCOOH-H"	44.998201
"359685"	469.161651	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+Hac-H"	59.013851
"1506084"	264.087751	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Hac-H"	59.013851
"969251"	272.054051	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-H+NaCOOH"	66.980151
"121806"	240.043302	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+2Cl"	69.938804
"561000"	342.580252	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+2Cl"	69.938804
"1036727"	137.506352	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2Cl"	69.938804
"1253751"	283.992785	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Br"	78.918885
"1316200"	286.048772	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Cl+HCOOH"	80.974872
"1330415"	308.030729	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Cl+NaCOOH"	102.956829
"922567"	318.059486	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M-H+CF3COOH"	112.985586
"1294902"	354.036164	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Cl+CF3COOH"	148.962264
"1374157"	170.061224	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H-2H2O"	-35.012676
"1390560"	188.0712	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H-H2O"	-17.0027
"288060"	411.155076	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+H"	1.007276
"681575"	616.228976	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+H"	1.007276
"1361204"	206.081176	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H"	1.007276
"139560"	206.081176	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+2H"	2.014552
"580950"	308.618126	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+2H"	2.014552
"1047924"	103.544226	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2H"	2.014552
"216919"	137.723209333333	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+3H"	3.021828
"652106"	206.081176	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+3H"	3.021828
"1175700"	69.3652426666667	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+3H"	3.021828
"429131"	428.181623	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+NH4"	18.033823
"792316"	633.255523	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+NH4"	18.033823
"1687554"	223.107723	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+NH4"	18.033823
"335833"	214.5944495	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+H+NH4"	19.041099
"736280"	317.1313995	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+H+NH4"	19.041099
"1488641"	112.0574995	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H+NH4"	19.041099
"404041"	433.137018	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+Na"	22.989218
"766130"	638.210918	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+Na"	22.989218
"1610948"	228.063118	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Na"	22.989218
"325359"	217.072147	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+H+Na"	23.996494
"715596"	319.609097	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+H+Na"	23.996494
"1469416"	114.535197	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H+Na"	23.996494
"1064850"	76.6925566666667	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2H+Na"	25.00377
"1263249"	238.107386	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+CH3OH+H"	33.033486
"387291"	449.110958	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+K"	38.963158
"749380"	654.184858	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+K"	38.963158
"1547059"	244.037058	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+K"	38.963158
"310801"	225.059117	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+H+K"	39.970434
"702127"	327.596067	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+H+K"	39.970434
"1453764"	122.522167	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H+K"	39.970434
"239083"	452.181626	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+ACN+H"	42.033826
"1220543"	247.107726	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+ACN+H"	42.033826
"1200052"	124.057501	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+ACN+2H"	43.041102
"190371"	455.11896	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+2Na-H"	44.97116
"633577"	660.19286	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+2Na-H"	44.97116
"1134167"	250.04506	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2Na-H"	44.97116
"179279"	228.063118	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+2Na"	45.978436
"618838"	330.600068	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+2Na"	45.978436
"1117969"	125.526168	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2Na"	45.978436
"1403681"	84.0198706666667	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H+2Na"	46.985712
"1430692"	252.086646	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H+HCOOH"	47.012746
"223309"	233.09614	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+3H2O+2H"	56.04448
"1509180"	266.13869	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+IsoProp+H"	61.06479
"411421"	236.050088	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+Na+K"	61.952376
"770954"	338.587038	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+Na+K"	61.952376
"1673852"	133.513138	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Na+K"	61.952376
"260372"	474.163568	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+ACN+Na"	64.015768
"1233449"	269.089668	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+ACN+Na"	64.015768
"1720877"	269.113193	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+NH4+HCOOH"	64.039293
"1190606"	91.3471846666667	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+3Na"	68.967654
"1664752"	274.068588	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Na+HCOOH"	68.994688
"172824"	487.06684	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+2K-H"	76.91904
"612792"	692.14074	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+2K-H"	76.91904
"1094719"	281.99294	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2K-H"	76.91904
"152627"	244.037058	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"2M+2K"	77.926316
"594254"	346.574008	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"3M+2K"	77.926316
"1081074"	141.500108	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2K"	77.926316
"1108818"	284.007492	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2K+H"	78.933592
"1345200"	284.095107	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+DMSO+H"	79.021207
"1014825"	288.134276	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2ACN+H"	83.060376
"1528575"	289.127908	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+IsoProp+Na+H"	84.054008
"997210"	144.570776	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+2ACN+2H"	84.067652
"1592806"	290.042528	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+K+HCOOH"	84.968628
"1417373"	320.074038	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+H+CF3COOH"	115.000138
"1156410"	165.084051	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+3ACN+2H"	125.094202
"1708149"	337.100585	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+NH4+CF3COOH"	132.026685
"1647080"	342.05598	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+Na+CF3COOH"	136.98208
"1576170"	358.02992	"C02043"	"Indolelactate"	"C11H11NO3"	"205.0739"	"M+K+CF3COOH"	152.95602
"813099"	120.0423	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M"	0
"988703"	101.02391	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H2O-H"	-19.01839
"73789"	79.020924	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-3H"	-3.021828
"506789"	119.035024	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-3H"	-3.021828
"883496"	39.006824	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-3H"	-3.021828
"5353"	119.035024	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H"	-2.014552
"453298"	179.056174	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H"	-2.014552
"824904"	59.013874	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H"	-2.014552
"87083"	239.077324	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-H"	-1.007276
"531024"	359.119624	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-H"	-1.007276
"906639"	119.035024	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H"	-1.007276
"59797"	256.103871	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H+NH4"	16.019271
"499476"	376.146171	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H+NH4"	16.019271
"879347"	136.061571	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H+NH4"	16.019271
"44090"	261.059266	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H+Na"	20.974666
"485352"	381.101566	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H+Na"	20.974666
"862550"	141.016966	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H+Na"	20.974666
"1625520"	141.016966	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na-2H"	20.974666
"105329"	137.023363	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-H+Cl"	33.962126
"547077"	197.044513	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-H+Cl"	33.962126
"937312"	77.002213	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+Cl"	33.962126
"280240"	275.054002	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Cl"	34.969402
"667194"	395.096302	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+Cl"	34.969402
"1285066"	155.011702	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl"	34.969402
"29933"	277.033206	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M-2H+K"	36.948606
"467179"	397.075506	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M-2H+K"	36.948606
"841701"	156.990906	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-2H+K"	36.948606
"1559721"	156.990906	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K-2H"	36.948606
"950885"	165.040494	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+HCOOH"	44.998194
"372383"	285.082801	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+HCOOH-H"	44.998201
"357726"	299.098451	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Hac-H"	59.013851
"1505099"	179.056151	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Hac-H"	59.013851
"966079"	187.022451	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+NaCOOH"	66.980151
"122280"	155.011702	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2Cl"	69.938804
"561110"	215.032852	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2Cl"	69.938804
"1036473"	94.990552	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2Cl"	69.938804
"1252768"	198.961185	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Br"	78.918885
"1315946"	201.017172	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl+HCOOH"	80.974872
"1330525"	222.999129	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl+NaCOOH"	102.956829
"921584"	233.027886	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M-H+CF3COOH"	112.985586
"1296105"	269.004564	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Cl+CF3COOH"	148.962264
"1374267"	85.029624	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H-2H2O"	-35.012676
"1390670"	103.0396	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H-H2O"	-17.0027
"288170"	241.091876	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H"	1.007276
"681685"	361.134176	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H"	1.007276
"1361314"	121.049576	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H"	1.007276
"139670"	121.049576	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2H"	2.014552
"578143"	181.070726	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2H"	2.014552
"1046939"	61.028426	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2H"	2.014552
"210469"	81.035476	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+3H"	3.021828
"648936"	121.049576	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+3H"	3.021828
"1172530"	41.021376	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+3H"	3.021828
"429241"	258.118423	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+NH4"	18.033823
"792426"	378.160723	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+NH4"	18.033823
"1687664"	138.076123	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+NH4"	18.033823
"335943"	129.5628495	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H+NH4"	19.041099
"730556"	189.5839995	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H+NH4"	19.041099
"1487658"	69.5416995	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+NH4"	19.041099
"405244"	263.073818	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Na"	22.989218
"762959"	383.116118	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+Na"	22.989218
"1603767"	143.031518	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na"	22.989218
"317813"	132.040547	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H+Na"	23.996494
"715340"	192.061697	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H+Na"	23.996494
"1464057"	72.019397	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+Na"	23.996494
"1063867"	48.34869	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2H+Na"	25.00377
"1263359"	153.075786	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+CH3OH+H"	33.033486
"387401"	279.047758	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+K"	38.963158
"748397"	399.090058	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+K"	38.963158
"1547169"	159.005458	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K"	38.963158
"310909"	140.027517	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+H+K"	39.970434
"703330"	200.048667	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+H+K"	39.970434
"1454967"	80.006367	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+K"	39.970434
"239921"	282.118426	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+ACN+H"	42.033826
"1217372"	162.076126	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+ACN+H"	42.033826
"1197975"	81.541701	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+ACN+2H"	43.041102
"190845"	285.05576	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2Na-H"	44.97116
"632592"	405.09806	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2Na-H"	44.97116
"1134641"	165.01346	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2Na-H"	44.97116
"179389"	143.031518	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2Na"	45.978436
"616760"	203.052668	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2Na"	45.978436
"1117348"	83.010368	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2Na"	45.978436
"1402698"	55.676004	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+2Na"	46.985712
"1431529"	167.055046	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+HCOOH"	47.012746
"221232"	148.06454	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+3H2O+2H"	56.04448
"1509531"	181.10709	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+IsoProp+H"	61.06479
"408764"	151.018488	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+Na+K"	61.952376
"771549"	211.039638	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+Na+K"	61.952376
"1671774"	90.997338	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na+K"	61.952376
"258296"	304.100368	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+ACN+Na"	64.015768
"1232099"	184.058068	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+ACN+Na"	64.015768
"1720985"	184.081593	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+NH4+HCOOH"	64.039293
"1189622"	63.003318	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+3Na"	68.967654
"1661703"	189.036988	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na+HCOOH"	68.994688
"171603"	317.00364	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2K-H"	76.91904
"612711"	437.04594	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2K-H"	76.91904
"1095922"	196.96134	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2K-H"	76.91904
"147269"	159.005458	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"2M+2K"	77.926316
"595335"	219.026608	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"3M+2K"	77.926316
"1081184"	98.984308	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2K"	77.926316
"1110020"	198.975892	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2K+H"	78.933592
"1342030"	199.063507	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+DMSO+H"	79.021207
"1016028"	203.102676	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2ACN+H"	83.060376
"1533058"	204.096308	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+IsoProp+Na+H"	84.054008
"996226"	102.054976	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+2ACN+2H"	84.067652
"1596196"	205.010928	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K+HCOOH"	84.968628
"1421857"	235.042438	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+H+CF3COOH"	115.000138
"1156520"	122.568251	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+3ACN+2H"	125.094202
"1707166"	252.068985	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+NH4+CF3COOH"	132.026685
"1647190"	257.02438	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+Na+CF3COOH"	136.98208
"1576280"	272.99832	"C02045"	"L-Erythrulose;L-glycero-Tetrulose"	"C4H8O4"	"120.0423"	"M+K+CF3COOH"	152.95602
"815032"	289.1678	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M"	0
"989737"	270.14941	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"72805"	191.771257333333	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"506899"	288.160524	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"891263"	95.3819906666667	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"8745"	288.160524	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"452679"	432.744424	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"825014"	143.576624	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"87193"	577.328324	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"531134"	866.496124	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"907842"	288.160524	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"57843"	594.354871	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"499104"	883.522671	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"876297"	305.187071	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"44808"	599.310266	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"484854"	888.478066	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"860472"	310.142466	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1625630"	310.142466	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"104346"	306.148863	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"545000"	450.732763	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"937422"	161.564963	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"277071"	613.305002	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"673500"	902.472802	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1285174"	324.137202	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"27730"	615.284206	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"460729"	904.452006	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"837438"	326.116406	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1559831"	326.116406	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"949902"	334.165994	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"370307"	623.333801	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"358200"	637.349451	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1505209"	348.181651	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"966190"	356.147951	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"124577"	324.137202	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"561220"	468.721102	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1035854"	179.553302	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1253972"	368.086685	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1316420"	370.142672	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1330635"	392.124629	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"921694"	402.153386	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1298402"	438.130064	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1376564"	254.155124	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1394060"	272.1651	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"286093"	579.342876	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"679608"	868.510676	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1355956"	290.175076	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"134313"	290.175076	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"580805"	434.758976	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1046685"	145.591176	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"210579"	193.785809333333	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"650139"	290.175076	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1172641"	97.3965426666667	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"433725"	596.369423	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"791444"	885.537223	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1688868"	307.201623	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"337147"	298.6883495	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"729573"	443.2722495	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1487768"	154.1044495	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"405354"	601.324818	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"760881"	890.492618	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1603998"	312.157018	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"316830"	301.166047	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"709253"	445.749947	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1464167"	156.582147	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1063977"	104.723856666667	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1263469"	322.201286	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"386418"	617.298758	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"748507"	906.466558	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1547280"	328.130958	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"311021"	309.153017	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"702347"	453.736917	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1459089"	164.569117	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"240031"	620.369426	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1221857"	331.201626	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1199179"	166.104451	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"198611"	623.30676	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"634892"	912.47456	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1135118"	334.13896	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"179500"	312.157018	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"616872"	456.740918	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1118918"	167.573118	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1404996"	112.051170666667	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1432001"	336.180546	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"222433"	317.19004	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1510131"	350.23259	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"412370"	320.143988	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"770932"	464.727888	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1671884"	175.560088	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"260594"	642.351368	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1231116"	353.183568	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1723283"	353.207093	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1189732"	119.378484666667	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1664487"	358.162488	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"172697"	655.25464	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"612612"	944.42244	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1094939"	366.08684	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"153941"	328.130958	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"593504"	472.714858	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1082267"	183.547058	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1110131"	368.101392	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1347609"	368.189007	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1018325"	372.228176	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1536449"	373.221808	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"999617"	186.617726	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1601532"	374.136428	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1423060"	404.167938	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1158817"	207.131001	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1708370"	421.194485	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1647300"	426.14988	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1576390"	442.12382	"C02046"	"L-Hyoscyamine;L-Tropine tropate;Daturine;Duboisine"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"812227"	342.1162	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M"	0
"989045"	323.09781	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"67447"	227.070190666667	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"514662"	341.108924	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"889184"	113.031457333333	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"9945"	341.108924	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"451694"	512.167024	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"827308"	170.050824	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"94031"	683.225124	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"534160"	1025.341324	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"909046"	341.108924	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"60137"	700.251671	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"502012"	1042.367871	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"879206"	358.135471	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"46298"	705.207066	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"486184"	1047.323266	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"863618"	363.090866	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1633032"	363.090866	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"108107"	359.097263	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"545111"	530.155363	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"937533"	188.039163	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"277181"	719.201802	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"673246"	1061.318002	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1282005"	377.085602	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"21281"	721.181006	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"470314"	1063.297206	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"843014"	379.064806	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1561035"	379.064806	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"948918"	387.114394	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"368226"	729.230601	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"358310"	743.246251	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1499851"	401.130051	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"965205"	409.096351	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"121768"	377.085602	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"565219"	548.143702	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1035233"	206.027502	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1255909"	421.035085	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1317989"	423.091072	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1332931"	445.073029	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"920709"	455.101786	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1299605"	491.078464	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1378861"	307.103524	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1395992"	325.1135	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"291670"	685.239676	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"685183"	1027.355876	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1361533"	343.123476	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"133329"	343.123476	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"580189"	514.181576	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1049349"	172.065376	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"212876"	229.084742666667	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"653531"	343.123476	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1169470"	115.046009333333	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"431651"	702.266223	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795563"	1044.382423	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1688975"	360.150023	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"339449"	351.6367495	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"725306"	522.6948495	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1488607"	180.5786495	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"406195"	707.221618	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"765366"	1049.337818	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1607998"	365.105418	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"315969"	354.114447	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"709363"	525.172547	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1474126"	183.056347	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1062993"	122.373323333333	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1269047"	375.149686	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"387627"	723.195558	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"749713"	1065.311758	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1548483"	381.079358	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"310038"	362.101417	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"701364"	533.159517	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1454094"	191.043317	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"238682"	726.266226	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1220873"	384.150026	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1204754"	192.578651	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"197626"	729.20356	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"637187"	1071.31976	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1134861"	387.08736	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"181798"	365.105418	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"623183"	536.163518	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1120492"	194.047318	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1404012"	129.700637333333	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1431755"	389.128946	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"220474"	370.13844	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1509870"	403.18099	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"408831"	373.092388	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"773840"	544.150488	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1670902"	202.034288	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"259608"	748.248168	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1235237"	406.131968	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1723393"	406.155493	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1186562"	137.027951333333	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1660829"	411.110888	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"170973"	761.15144	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"612357"	1103.26764	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1098815"	419.03524	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"152957"	381.079358	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"595679"	552.137458	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1081403"	210.021258	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1111333"	421.049792	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1349540"	421.137407	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1018434"	425.176576	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1536562"	426.170208	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1004958"	213.091926	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1602622"	427.084828	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1429368"	457.116338	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1160021"	233.605201	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1709572"	474.142885	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1641941"	479.09828	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1575406"	495.07222	"C02048"	"Laminaribiose;Laminariaceae;3-beta-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"816107"	1029.3449	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M"	0
"982596"	1010.32651	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-H2O-H"	-19.01839
"70838"	685.222657333333	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M-3H"	-3.021828
"513680"	1028.337624	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M-3H"	-3.021828
"888201"	342.107690666667	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-3H"	-3.021828
"8965"	1028.337624	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M-2H"	-2.014552
"450713"	1543.010074	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M-2H"	-2.014552
"830706"	513.665174	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-2H"	-2.014552
"90700"	2057.682524	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M-H"	-1.007276
"530259"	3087.027424	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M-H"	-1.007276
"909884"	1028.337624	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-H"	-1.007276
"60250"	2074.709071	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M-2H+NH4"	16.019271
"498716"	3104.053971	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M-2H+NH4"	16.019271
"877611"	1045.364171	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-2H+NH4"	16.019271
"42964"	2079.664466	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M-2H+Na"	20.974666
"482892"	3109.009366	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M-2H+Na"	20.974666
"860690"	1050.319566	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-2H+Na"	20.974666
"1625852"	1050.319566	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Na-2H"	20.974666
"101288"	1046.325963	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M-H+Cl"	33.962126
"540847"	1560.998413	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M-H+Cl"	33.962126
"933268"	531.653513	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-H+Cl"	33.962126
"274011"	2093.659202	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+Cl"	34.969402
"668620"	3123.004102	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+Cl"	34.969402
"1278836"	1064.314302	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Cl"	34.969402
"18110"	2095.638406	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M-2H+K"	36.948606
"462045"	3124.983306	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M-2H+K"	36.948606
"839847"	1066.293506	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-2H+K"	36.948606
"1566615"	1066.293506	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+K-2H"	36.948606
"951217"	1074.343094	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-H+HCOOH"	44.998194
"370527"	2103.688001	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+HCOOH-H"	44.998201
"360608"	2117.703651	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+Hac-H"	59.013851
"1504337"	1088.358751	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Hac-H"	59.013851
"971879"	1096.325051	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-H+NaCOOH"	66.980151
"122974"	1064.314302	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+2Cl"	69.938804
"560348"	1578.986752	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+2Cl"	69.938804
"1028053"	549.641852	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2Cl"	69.938804
"1250912"	1108.263785	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Br"	78.918885
"1313359"	1110.319772	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Cl+HCOOH"	80.974872
"1331949"	1132.301729	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Cl+NaCOOH"	102.956829
"920821"	1142.330486	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M-H+CF3COOH"	112.985586
"1300810"	1178.307164	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Cl+CF3COOH"	148.962264
"1377878"	994.332224	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H-2H2O"	-35.012676
"1395741"	1012.3422	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H-H2O"	-17.0027
"292874"	2059.697076	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+H"	1.007276
"689672"	3089.041976	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+H"	1.007276
"1365295"	1030.352176	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H"	1.007276
"138916"	1030.352176	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+2H"	2.014552
"579204"	1545.024626	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+2H"	2.014552
"1049461"	515.679726	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2H"	2.014552
"215540"	687.237209333333	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+3H"	3.021828
"654372"	1030.352176	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+3H"	3.021828
"1172134"	344.122242666667	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+3H"	3.021828
"432854"	2076.723623	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+NH4"	18.033823
"792757"	3106.068523	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+NH4"	18.033823
"1690181"	1047.378723	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+NH4"	18.033823
"337367"	1038.8654495	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+H+NH4"	19.041099
"733072"	1553.5378995	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+H+NH4"	19.041099
"1488717"	524.1929995	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H+NH4"	19.041099
"405942"	2081.679018	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+Na"	22.989218
"765478"	3111.023918	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+Na"	22.989218
"1614671"	1052.334118	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Na"	22.989218
"325800"	1041.343147	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+H+Na"	23.996494
"713847"	1556.015597	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+H+Na"	23.996494
"1474234"	526.670697	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H+Na"	23.996494
"1066387"	351.449556666667	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2H+Na"	25.00377
"1269890"	1062.378386	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+CH3OH+H"	33.033486
"387735"	2097.652958	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+K"	38.963158
"748729"	3126.997858	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+K"	38.963158
"1549692"	1068.308058	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+K"	38.963158
"306868"	1049.330117	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+H+K"	39.970434
"702568"	1564.002567	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+H+K"	39.970434
"1455296"	534.657667	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H+K"	39.970434
"240617"	2100.723626	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+ACN+H"	42.033826
"1216608"	1071.378726	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+ACN+H"	42.033826
"1201585"	536.193001	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+ACN+2H"	43.041102
"191542"	2103.66096	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+2Na-H"	44.97116
"630488"	3133.00586	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+2Na-H"	44.97116
"1133872"	1074.31606	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2Na-H"	44.97116
"174243"	1052.334118	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+2Na"	45.978436
"613685"	1567.006568	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+2Na"	45.978436
"1117555"	537.661668	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2Na"	45.978436
"1404123"	358.776870666667	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H+2Na"	46.985712
"1430279"	1076.357646	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H+HCOOH"	47.012746
"223749"	1057.36714	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+3H2O+2H"	56.04448
"1508647"	1090.40969	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+IsoProp+H"	61.06479
"408700"	1060.321088	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+Na+K"	61.952376
"770668"	1574.993538	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+Na+K"	61.952376
"1671012"	545.648638	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Na+K"	61.952376
"259720"	2122.705568	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+ACN+Na"	64.015768
"1231337"	1093.360668	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+ACN+Na"	64.015768
"1720223"	1093.384193	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+NH4+HCOOH"	64.039293
"1187765"	366.104184666667	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+3Na"	68.967654
"1660940"	1098.339588	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Na+HCOOH"	68.994688
"171083"	2135.60884	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+2K-H"	76.91904
"612428"	3164.95374	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+2K-H"	76.91904
"1092972"	1106.26394	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2K-H"	76.91904
"150881"	1068.308058	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"2M+2K"	77.926316
"590438"	1582.980508	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"3M+2K"	77.926316
"1078234"	553.635608	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2K"	77.926316
"1109255"	1108.278492	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2K+H"	78.933592
"1345640"	1108.366107	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+DMSO+H"	79.021207
"1013079"	1112.405276	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2ACN+H"	83.060376
"1534483"	1113.398908	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+IsoProp+Na+H"	84.054008
"1003117"	556.706276	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+2ACN+2H"	84.067652
"1598716"	1114.313528	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+K+HCOOH"	84.968628
"1426565"	1144.345038	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+H+CF3COOH"	115.000138
"1155757"	577.219551	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+3ACN+2H"	125.094202
"1709683"	1161.371585	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+NH4+CF3COOH"	132.026685
"1648613"	1166.32698	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+Na+CF3COOH"	136.98208
"1575516"	1182.30092	"C02050"	"Linoleoyl-CoA;(9Z12Z)-Octadecadienoyl-CoA"	"C39H66N7O17P3S"	"1029.3449"	"M+K+CF3COOH"	152.95602
"814636"	666.2219	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M"	0
"982706"	647.20351	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"69855"	443.140657333333	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"511605"	665.214624	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"886125"	221.066690666667	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"14179"	665.214624	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"450823"	998.325574	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"828266"	332.103674	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"92267"	1331.436524	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"533649"	1997.658424	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"908903"	665.214624	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"59265"	1348.463071	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"497733"	2014.684971	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"876265"	682.241171	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"43803"	1353.418466	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"482635"	2019.640366	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"857521"	687.196566	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1624870"	687.196566	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"103585"	683.202963	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"535733"	1016.313913	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"933380"	350.092013	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"273029"	1367.413202	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"669825"	2033.635102	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1277853"	701.191302	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"24781"	1369.392406	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"468717"	2035.614306	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"844332"	703.170506	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1563446"	703.170506	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"954243"	711.220094	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"373187"	1377.442001	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"355614"	1391.457651	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1505540"	725.235751	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"970897"	733.202051	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"124786"	701.191302	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"560459"	1034.302252	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1032538"	368.080352	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1253939"	745.140785	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1313470"	747.196772	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1329873"	769.178729	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"923118"	779.207486	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1299826"	815.184164	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1380906"	631.209224	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1393297"	649.2192	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"295171"	1333.451076	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"688686"	1999.672976	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1358473"	667.229176	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"139746"	667.229176	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"579681"	1000.340126	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1050181"	334.118226	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"212004"	445.155209333333	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"657034"	667.229176	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1173702"	223.081242666667	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"435881"	1350.477623	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"797607"	2016.699523	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1691021"	684.255723	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"340393"	675.7424495	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"733546"	1008.8533995	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1490285"	342.6314995	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"400215"	1355.433018	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"767776"	2021.654918	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1612227"	689.211118	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"327370"	678.220147	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"714329"	1011.331097	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1466692"	345.109197	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1057751"	230.408556666667	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1262710"	699.255386	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"385660"	1371.406958	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"748843"	2037.628858	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1544333"	705.185058	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"302603"	686.207117	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"694658"	1019.318067	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1458688"	353.096167	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"247288"	1374.477626	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1221092"	708.255726	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1206069"	354.631501	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"191652"	1377.41496	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"635219"	2043.63686	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1134351"	711.19306	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"173506"	689.211118	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"613796"	1022.322068	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1116817"	356.100168	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1405327"	237.735870666667	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1438535"	713.234646	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"227139"	694.24414	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1510463"	727.28669	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"412702"	697.198088	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"776977"	1030.309038	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1674403"	364.087138	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"263476"	1396.459568	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1234727"	730.237668	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1721429"	730.261193	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1186783"	245.063184666667	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1663237"	735.216588	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"170465"	1409.36284	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"611121"	2075.58474	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1087615"	743.14094	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"148803"	705.185058	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"587271"	1038.296008	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1075062"	372.074108	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1102076"	745.155492	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1343564"	745.243107	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1011002"	749.282276	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1531312"	750.275908	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"998855"	375.144776	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1594452"	751.190528	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1424488"	781.222038	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1155867"	395.658051	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1711616"	798.248585	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1649620"	803.20398	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1576724"	819.17792	"C02052"	"Maltotetraose"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"812562"	165.079	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M"	0
"982815"	146.06061	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"69963"	109.045390666667	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"509526"	164.071724	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"885143"	54.0190573333333	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"13560"	164.071724	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"450933"	246.611224	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"823273"	81.532224	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"87638"	329.150724	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"520640"	494.229724	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"895815"	164.071724	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"57186"	346.177271	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"496748"	511.256271	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"875645"	181.098271	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"42451"	351.132666	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"482743"	516.211666	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"857631"	186.053666	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1626070"	186.053666	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"103695"	182.060063	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"542162"	264.599563	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"938593"	99.520563	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"278606"	365.127402	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"671026"	530.206402	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1285611"	200.048402	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"25981"	367.106606	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"461167"	532.185606	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"842250"	202.027606	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1565744"	202.027606	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"953628"	210.077194	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"376216"	375.156201	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"361224"	389.171851	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1508202"	224.092851	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"972828"	232.059151	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"125382"	200.048402	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"564097"	282.587902	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1034470"	117.508902	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1256237"	243.997885	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1319700"	246.053872	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1334966"	268.035829	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"923226"	278.064586	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1299936"	314.041264	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1380285"	130.066324	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1394501"	148.0763	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"296375"	331.165276	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"686608"	496.244276	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1364427"	166.086276	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"140358"	166.086276	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"577969"	248.625776	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1050780"	83.546776	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"217586"	111.059942666667	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"654959"	166.086276	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1170896"	56.0336093333333	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"433075"	348.191823	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"795163"	513.270823	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1690412"	183.112823	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"342697"	174.5995495	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"734388"	257.1390495	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1491493"	92.0600495	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"405796"	353.147218	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"766063"	518.226218	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1608329"	188.068218	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"326750"	177.077247	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"714075"	259.616747	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1468988"	94.537747	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1064417"	63.3609233333333	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1267186"	198.112486	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"383579"	369.121158	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"745671"	534.200158	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1547724"	204.042158	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"311101"	185.064217	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"697321"	267.603717	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1453328"	102.524717	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"244117"	372.191826	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1221203"	207.112826	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1206177"	104.060051	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"201966"	375.12916	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"637520"	540.20816	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1142115"	210.05016	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"183220"	188.068218	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"620596"	270.607718	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1117538"	105.528718	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1406527"	70.6882373333333	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1433176"	212.091746	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"220236"	193.10124	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1513123"	226.14379	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"409163"	196.055188	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"774900"	278.594688	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1674514"	113.515688	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"261765"	394.173768	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1234838"	229.094768	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1722630"	229.118293	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1190541"	78.0155513333333	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1660070"	234.073688	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"165839"	407.07704	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"608679"	572.15604	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1096472"	241.99804	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"152195"	204.042158	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"593939"	286.581658	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1076265"	121.502658	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1107287"	244.012592	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1341484"	244.100207	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1012203"	248.139376	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1534706"	249.133008	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"1004191"	124.573326	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1601123"	250.047628	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1422408"	280.079138	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1157069"	145.086601	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1702254"	297.105685	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1635718"	302.06108	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1576836"	318.03502	"C02057"	"Phenylalanine;alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"807204"	450.3498	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M"	0
"980738"	431.33141	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-H2O-H"	-19.01839
"74451"	299.225924	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M-3H"	-3.021828
"515106"	449.342524	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M-3H"	-3.021828
"886345"	149.109324	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-3H"	-3.021828
"10389"	449.342524	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M-2H"	-2.014552
"440596"	674.517424	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M-2H"	-2.014552
"825570"	224.167624	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-2H"	-2.014552
"79120"	899.692324	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M-H"	-1.007276
"524029"	1350.042124	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M-H"	-1.007276
"896158"	449.342524	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-H"	-1.007276
"57296"	916.718871	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M-2H+NH4"	16.019271
"494671"	1367.068671	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M-2H+NH4"	16.019271
"869194"	466.369071	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-2H+NH4"	16.019271
"40376"	921.674266	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M-2H+Na"	20.974666
"477750"	1372.024066	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M-2H+Na"	20.974666
"857740"	471.324466	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-2H+Na"	20.974666
"1628369"	471.324466	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Na-2H"	20.974666
"104896"	467.330863	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M-H+Cl"	33.962126
"546645"	692.505763	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M-H+Cl"	33.962126
"939066"	242.155963	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-H+Cl"	33.962126
"280899"	935.669002	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+Cl"	34.969402
"673323"	1386.018802	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+Cl"	34.969402
"1281349"	485.319202	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Cl"	34.969402
"19531"	937.648206	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M-2H+K"	36.948606
"467840"	1387.998006	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M-2H+K"	36.948606
"844555"	487.298406	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-2H+K"	36.948606
"1568409"	487.298406	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+K-2H"	36.948606
"956655"	495.347994	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-H+HCOOH"	44.998194
"376206"	945.697801	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+HCOOH-H"	44.998201
"359845"	959.713451	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+Hac-H"	59.013851
"1507584"	509.363651	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Hac-H"	59.013851
"972210"	517.329951	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-H+NaCOOH"	66.980151
"125494"	485.319202	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+2Cl"	69.938804
"565012"	710.494102	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+2Cl"	69.938804
"1035681"	260.144302	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2Cl"	69.938804
"1256798"	529.268685	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Br"	78.918885
"1319607"	531.324672	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Cl+HCOOH"	80.974872
"1334104"	553.306629	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Cl+NaCOOH"	102.956829
"923340"	563.335386	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M-H+CF3COOH"	112.985586
"1303657"	599.312064	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Cl+CF3COOH"	148.962264
"1380763"	415.337124	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H-2H2O"	-35.012676
"1397771"	433.3471	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H-H2O"	-17.0027
"295027"	901.706876	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+H"	1.007276
"690505"	1352.056676	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+H"	1.007276
"1366123"	451.357076	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H"	1.007276
"139254"	451.357076	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+2H"	2.014552
"579542"	676.531976	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+2H"	2.014552
"1050895"	226.182176	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2H"	2.014552
"218430"	301.240476	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+3H"	3.021828
"654705"	451.357076	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+3H"	3.021828
"1171006"	151.123876	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+3H"	3.021828
"433185"	918.733423	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+NH4"	18.033823
"787984"	1369.083223	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+NH4"	18.033823
"1691612"	468.383623	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+NH4"	18.033823
"342808"	459.8703495	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+H+NH4"	19.041099
"734137"	685.0452495	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+H+NH4"	19.041099
"1491966"	234.6954495	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H+NH4"	19.041099
"404448"	923.688818	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+Na"	22.989218
"761434"	1374.038618	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+Na"	22.989218
"1615001"	473.339018	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Na"	22.989218
"327225"	462.348047	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+H+Na"	23.996494
"721350"	687.522947	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+H+Na"	23.996494
"1475536"	237.173147	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H+Na"	23.996494
"1066712"	158.45119	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2H+Na"	25.00377
"1269125"	483.383286	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+CH3OH+H"	33.033486
"389155"	939.662758	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+K"	38.963158
"745781"	1390.012558	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+K"	38.963158
"1547832"	489.312958	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+K"	38.963158
"303912"	470.335017	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+H+K"	39.970434
"699615"	695.509917	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+H+K"	39.970434
"1455624"	245.160117	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H+K"	39.970434
"246411"	942.733426	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+ACN+H"	42.033826
"1221313"	492.383626	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+ACN+H"	42.033826
"1207382"	246.695451	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+ACN+2H"	43.041102
"201956"	945.67076	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+2Na-H"	44.97116
"637630"	1396.02056	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+2Na-H"	44.97116
"1143318"	495.32096	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2Na-H"	44.97116
"176772"	473.339018	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+2Na"	45.978436
"622887"	698.513918	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+2Na"	45.978436
"1120926"	248.164118	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2Na"	45.978436
"1401169"	165.778504	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H+2Na"	46.985712
"1437660"	497.362546	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H+HCOOH"	47.012746
"222252"	478.37204	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+3H2O+2H"	56.04448
"1511044"	511.41459	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+IsoProp+H"	61.06479
"410730"	481.325988	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+Na+K"	61.952376
"778290"	706.500888	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+Na+K"	61.952376
"1672435"	256.151088	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Na+K"	61.952376
"262236"	964.715368	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+ACN+Na"	64.015768
"1238227"	514.365568	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+ACN+Na"	64.015768
"1718365"	514.389093	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+NH4+HCOOH"	64.039293
"1185908"	173.105818	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+3Na"	68.967654
"1661272"	519.344488	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Na+HCOOH"	68.994688
"168133"	977.61864	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+2K-H"	76.91904
"608788"	1427.96844	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+2K-H"	76.91904
"1096580"	527.26884	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2K-H"	76.91904
"152302"	489.312958	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"2M+2K"	77.926316
"592956"	714.487858	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"3M+2K"	77.926316
"1076373"	264.138058	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2K"	77.926316
"1109583"	529.283392	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2K+H"	78.933592
"1348156"	529.371007	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+DMSO+H"	79.021207
"1013406"	533.410176	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2ACN+H"	83.060376
"1531529"	534.403808	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+IsoProp+Na+H"	84.054008
"999073"	267.208726	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+2ACN+2H"	84.067652
"1594671"	535.318428	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+K+HCOOH"	84.968628
"1420328"	565.349938	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+H+CF3COOH"	115.000138
"1147825"	287.722001	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+3ACN+2H"	125.094202
"1699081"	582.376485	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+NH4+CF3COOH"	132.026685
"1639108"	587.33188	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+Na+CF3COOH"	136.98208
"1572205"	603.30582	"C02059"	"Phylloquinone;Vitamin K1;Phytonadione;2-Methyl-3-phytyl-14-naphthoquinone"	"C31H46O2"	"450.3498"	"M+K+CF3COOH"	152.95602
"813875"	1061.4075	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M"	0
"983036"	1042.38911	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H2O-H"	-19.01839
"74561"	706.597724	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-3H"	-3.021828
"518136"	1060.400224	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-3H"	-3.021828
"890830"	352.795224	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-3H"	-3.021828
"11594"	1060.400224	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H"	-2.014552
"451159"	1591.103974	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H"	-2.014552
"830540"	529.696474	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H"	-2.014552
"86766"	2121.807724	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-H"	-1.007276
"528513"	3183.215224	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-H"	-1.007276
"907044"	1060.400224	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H"	-1.007276
"57775"	2138.834271	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H+NH4"	16.019271
"500250"	3200.241771	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H+NH4"	16.019271
"874774"	1077.426771	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H+NH4"	16.019271
"42673"	2143.789666	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H+Na"	20.974666
"485514"	3205.197166	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H+Na"	20.974666
"860039"	1082.382166	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H+Na"	20.974666
"1630666"	1082.382166	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na-2H"	20.974666
"106831"	1078.388563	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-H+Cl"	33.962126
"547485"	1609.092313	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-H+Cl"	33.962126
"939909"	547.684813	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+Cl"	33.962126
"281009"	2157.784402	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Cl"	34.969402
"674524"	3219.191902	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+Cl"	34.969402
"1286926"	1096.376902	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl"	34.969402
"25108"	2159.763606	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M-2H+K"	36.948606
"470137"	3221.171106	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M-2H+K"	36.948606
"844665"	1098.356106	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-2H+K"	36.948606
"1568154"	1098.356106	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K-2H"	36.948606
"955672"	1106.405694	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+HCOOH"	44.998194
"373157"	2167.813201	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+HCOOH-H"	44.998201
"359955"	2181.828851	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Hac-H"	59.013851
"1507939"	1120.421351	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Hac-H"	59.013851
"972320"	1128.387651	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+NaCOOH"	66.980151
"124877"	1096.376902	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2Cl"	69.938804
"563710"	1627.080652	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2Cl"	69.938804
"1037037"	565.673152	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2Cl"	69.938804
"1255734"	1140.326385	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Br"	78.918885
"1318910"	1142.382372	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl+HCOOH"	80.974872
"1335399"	1164.364329	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl+NaCOOH"	102.956829
"923814"	1174.393086	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M-H+CF3COOH"	112.985586
"1304091"	1210.369764	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Cl+CF3COOH"	148.962264
"1381970"	1026.394824	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H-2H2O"	-35.012676
"1395820"	1044.4048	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H-H2O"	-17.0027
"296962"	2123.822276	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H"	1.007276
"690493"	3185.229776	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H"	1.007276
"1366115"	1062.414776	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H"	1.007276
"140825"	1062.414776	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2H"	2.014552
"579655"	1593.118526	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2H"	2.014552
"1050274"	531.711026	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2H"	2.014552
"218538"	708.612276	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+3H"	3.021828
"657734"	1062.414776	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+3H"	3.021828
"1175856"	354.809776	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+3H"	3.021828
"435482"	2140.848823	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+NH4"	18.033823
"793197"	3202.256323	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+NH4"	18.033823
"1692452"	1079.441323	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+NH4"	18.033823
"342918"	1070.9280495	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H+NH4"	19.041099
"736071"	1601.6317995	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H+NH4"	19.041099
"1491713"	540.2242995	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+NH4"	19.041099
"407112"	2145.804218	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Na"	22.989218
"763732"	3207.211718	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+Na"	22.989218
"1615111"	1084.396718	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na"	22.989218
"329695"	1073.405747	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H+Na"	23.996494
"722638"	1604.109497	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H+Na"	23.996494
"1476904"	542.701997	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+Na"	23.996494
"1066822"	362.13709	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2H+Na"	25.00377
"1272150"	1094.440986	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+CH3OH+H"	33.033486
"389268"	2161.778158	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+K"	38.963158
"749172"	3223.185658	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+K"	38.963158
"1547945"	1100.370658	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K"	38.963158
"309491"	1081.392717	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+H+K"	39.970434
"701916"	1612.096467	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+H+K"	39.970434
"1460921"	550.688967	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+K"	39.970434
"250534"	2164.848826	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+ACN+H"	42.033826
"1222517"	1103.441326	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+ACN+H"	42.033826
"1208829"	552.224301	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+ACN+2H"	43.041102
"202187"	2167.78616	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2Na-H"	44.97116
"639927"	3229.19366	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2Na-H"	44.97116
"1143429"	1106.37866	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2Na-H"	44.97116
"180162"	1084.396718	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2Na"	45.978436
"620813"	1615.100468	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2Na"	45.978436
"1119945"	553.692968	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2Na"	45.978436
"1408934"	369.464404	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+2Na"	46.985712
"1437771"	1108.420246	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+HCOOH"	47.012746
"225280"	1089.42974	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+3H2O+2H"	56.04448
"1514437"	1122.47229	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+IsoProp+H"	61.06479
"416309"	1092.383688	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+Na+K"	61.952376
"779494"	1623.087438	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+Na+K"	61.952376
"1679106"	561.679938	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na+K"	61.952376
"264169"	2186.830768	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+ACN+Na"	64.015768
"1237974"	1125.423268	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+ACN+Na"	64.015768
"1719568"	1125.446793	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+NH4+HCOOH"	64.039293
"1188205"	376.791718	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+3Na"	68.967654
"1662475"	1130.402188	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na+HCOOH"	68.994688
"168243"	2199.73404	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2K-H"	76.91904
"607804"	3261.14154	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2K-H"	76.91904
"1097783"	1138.32654	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2K-H"	76.91904
"150225"	1100.370658	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"2M+2K"	77.926316
"591973"	1631.074408	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"3M+2K"	77.926316
"1079764"	569.666908	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2K"	77.926316
"1109694"	1140.341092	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2K+H"	78.933592
"1347173"	1140.428707	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+DMSO+H"	79.021207
"1017890"	1144.467876	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2ACN+H"	83.060376
"1529453"	1145.461508	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+IsoProp+Na+H"	84.054008
"1001370"	572.737576	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+2ACN+2H"	84.067652
"1589314"	1146.376128	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K+HCOOH"	84.968628
"1420441"	1176.407638	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+H+CF3COOH"	115.000138
"1150727"	593.250851	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+3ACN+2H"	125.094202
"1699187"	1193.434185	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+NH4+CF3COOH"	132.026685
"1638123"	1198.38958	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+Na+CF3COOH"	136.98208
"1571950"	1214.36352	"C02060"	"Phytanoyl-CoA"	"C41H74N7O17P3S"	"1061.4075"	"M+K+CF3COOH"	152.95602
"816177"	310.2872	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M"	0
"989514"	291.26881	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-H2O-H"	-19.01839
"78079"	205.850857333333	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M-3H"	-3.021828
"518330"	309.279924	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M-3H"	-3.021828
"894224"	102.421790666667	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-3H"	-3.021828
"13532"	309.279924	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M-2H"	-2.014552
"451270"	464.423524	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M-2H"	-2.014552
"824699"	154.136324	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-2H"	-2.014552
"83597"	619.567124	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M-H"	-1.007276
"528991"	929.854324	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M-H"	-1.007276
"907885"	309.279924	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-H"	-1.007276
"60435"	636.593671	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M-2H+NH4"	16.019271
"499266"	946.880871	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M-2H+NH4"	16.019271
"877436"	326.306471	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-2H+NH4"	16.019271
"44973"	641.549066	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M-2H+Na"	20.974666
"484172"	951.836266	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M-2H+Na"	20.974666
"862705"	331.261866	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-2H+Na"	20.974666
"1631871"	331.261866	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Na-2H"	20.974666
"107674"	327.268263	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M-H+Cl"	33.962126
"547962"	482.411863	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M-H+Cl"	33.962126
"941477"	172.124663	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-H+Cl"	33.962126
"281128"	655.543802	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+Cl"	34.969402
"675121"	965.831002	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+Cl"	34.969402
"1285945"	345.256602	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Cl"	34.969402
"26316"	657.523006	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M-2H+K"	36.948606
"470947"	967.810206	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M-2H+K"	36.948606
"841494"	347.235806	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-2H+K"	36.948606
"1568262"	347.235806	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+K-2H"	36.948606
"956510"	355.285394	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-H+HCOOH"	44.998194
"375090"	665.572601	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+HCOOH-H"	44.998201
"359583"	679.588251	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+Hac-H"	59.013851
"1505622"	369.301051	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Hac-H"	59.013851
"973282"	377.267351	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-H+NaCOOH"	66.980151
"124140"	345.256602	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+2Cl"	69.938804
"565566"	500.400202	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+2Cl"	69.938804
"1036835"	190.113002	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2Cl"	69.938804
"1256205"	389.206085	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Br"	78.918885
"1317193"	391.262072	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Cl+HCOOH"	80.974872
"1335421"	413.244029	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Cl+NaCOOH"	102.956829
"926985"	423.272786	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M-H+CF3COOH"	112.985586
"1304082"	459.249464	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Cl+CF3COOH"	148.962264
"1381348"	275.274524	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H-2H2O"	-35.012676
"1393741"	293.2845	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H-H2O"	-17.0027
"297089"	621.581676	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+H"	1.007276
"690969"	931.868876	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+H"	1.007276
"1366829"	311.294476	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H"	1.007276
"140205"	311.294476	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+2H"	2.014552
"580370"	466.438076	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+2H"	2.014552
"1052085"	156.150876	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2H"	2.014552
"219012"	207.865409333333	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+3H"	3.021828
"659303"	311.294476	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+3H"	3.021828
"1174144"	104.436342666667	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+3H"	3.021828
"433407"	638.608223	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+NH4"	18.033823
"798783"	948.895423	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+NH4"	18.033823
"1694751"	328.321023	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+NH4"	18.033823
"345216"	319.8077495	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+H+NH4"	19.041099
"738005"	474.9513495	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+H+NH4"	19.041099
"1492188"	164.6641495	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H+NH4"	19.041099
"407586"	643.563618	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+Na"	22.989218
"769837"	953.850818	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+Na"	22.989218
"1618397"	333.276418	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Na"	22.989218
"329522"	322.285447	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+H+Na"	23.996494
"722301"	477.429047	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+H+Na"	23.996494
"1474781"	167.141847	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H+Na"	23.996494
"1068315"	111.763656666667	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2H+Na"	25.00377
"1272545"	343.320686	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+CH3OH+H"	33.033486
"389378"	659.537558	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+K"	38.963158
"749282"	969.824758	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+K"	38.963158
"1554252"	349.250358	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+K"	38.963158
"311791"	330.272417	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+H+K"	39.970434
"704213"	485.416017	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+H+K"	39.970434
"1460950"	175.128817	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H+K"	39.970434
"249551"	662.608226	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+ACN+H"	42.033826
"1225259"	352.321026	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+ACN+H"	42.033826
"1207242"	176.664151	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+ACN+2H"	43.041102
"202542"	665.54556	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+2Na-H"	44.97116
"641128"	975.83276	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+2Na-H"	44.97116
"1134795"	355.25836	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2Na-H"	44.97116
"179176"	333.276418	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+2Na"	45.978436
"623110"	488.420018	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+2Na"	45.978436
"1125522"	178.132818	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2Na"	45.978436
"1405766"	119.090970666667	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H+2Na"	46.985712
"1435696"	357.299946	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H+HCOOH"	47.012746
"229765"	338.30944	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+3H2O+2H"	56.04448
"1514548"	371.35199	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+IsoProp+H"	61.06479
"420796"	341.263388	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+Na+K"	61.952376
"784347"	496.406988	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+Na+K"	61.952376
"1680312"	186.119788	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Na+K"	61.952376
"263187"	684.590168	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+ACN+Na"	64.015768
"1231892"	374.302968	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+ACN+Na"	64.015768
"1721872"	374.326493	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+NH4+HCOOH"	64.039293
"1191601"	126.418284666667	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+3Na"	68.967654
"1664652"	379.281888	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Na+HCOOH"	68.994688
"170541"	697.49344	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+2K-H"	76.91904
"611196"	1007.78064	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+2K-H"	76.91904
"1098501"	387.20624	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2K-H"	76.91904
"151428"	349.250358	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"2M+2K"	77.926316
"590988"	504.393958	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"3M+2K"	77.926316
"1077689"	194.106758	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2K"	77.926316
"1109806"	389.220792	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2K+H"	78.933592
"1348865"	389.308407	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+DMSO+H"	79.021207
"1015813"	393.347576	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2ACN+H"	83.060376
"1535033"	394.341208	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+IsoProp+Na+H"	84.054008
"992735"	197.177426	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+2ACN+2H"	84.067652
"1591611"	395.255828	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+K+HCOOH"	84.968628
"1420559"	425.287338	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+H+CF3COOH"	115.000138
"1150845"	217.690701	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+3ACN+2H"	125.094202
"1699302"	442.313885	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+NH4+CF3COOH"	132.026685
"1636049"	447.26928	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+Na+CF3COOH"	136.98208
"1587009"	463.24322	"C02064"	"Prostanoic acid"	"C20H38O2"	"310.2872"	"M+K+CF3COOH"	152.95602
"807537"	141.1154	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M"	0
"989843"	122.09701	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-H2O-H"	-19.01839
"74782"	93.0696573333333	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M-3H"	-3.021828
"511061"	140.108124	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M-3H"	-3.021828
"895307"	46.0311906666667	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-3H"	-3.021828
"11820"	140.108124	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M-2H"	-2.014552
"443727"	210.665824	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M-2H"	-2.014552
"821528"	69.550424	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-2H"	-2.014552
"90996"	281.223524	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M-H"	-1.007276
"532016"	422.338924	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M-H"	-1.007276
"906537"	140.108124	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-H"	-1.007276
"58724"	298.250071	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M-2H+NH4"	16.019271
"500109"	439.365471	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M-2H+NH4"	16.019271
"878154"	157.134671	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-2H+NH4"	16.019271
"45085"	303.205466	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M-2H+Na"	20.974666
"485009"	444.320866	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M-2H+Na"	20.974666
"861718"	162.090066	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-2H+Na"	20.974666
"1631615"	162.090066	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Na-2H"	20.974666
"108993"	158.096463	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M-H+Cl"	33.962126
"548432"	228.654163	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M-H+Cl"	33.962126
"941944"	87.538763	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-H+Cl"	33.962126
"280866"	317.200202	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+Cl"	34.969402
"665999"	458.315602	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+Cl"	34.969402
"1279498"	176.084802	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Cl"	34.969402
"25335"	319.179406	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M-2H+K"	36.948606
"464893"	460.294806	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M-2H+K"	36.948606
"839416"	178.064006	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-2H+K"	36.948606
"1566185"	178.064006	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+K-2H"	36.948606
"954068"	186.113594	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-H+HCOOH"	44.998194
"372285"	327.229001	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+HCOOH-H"	44.998201
"357262"	341.244651	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+Hac-H"	59.013851
"1506096"	200.129251	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Hac-H"	59.013851
"970355"	208.095551	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-H+NaCOOH"	66.980151
"124735"	176.084802	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+2Cl"	69.938804
"565026"	246.642502	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+2Cl"	69.938804
"1036864"	105.527102	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2Cl"	69.938804
"1255584"	220.034285	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Br"	78.918885
"1318033"	222.090272	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Cl+HCOOH"	80.974872
"1332613"	244.072229	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Cl+NaCOOH"	102.956829
"924034"	254.100986	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M-H+CF3COOH"	112.985586
"1300378"	290.077664	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Cl+CF3COOH"	148.962264
"1377083"	106.102724	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H-2H2O"	-35.012676
"1398360"	124.1127	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H-H2O"	-17.0027
"298471"	283.238076	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+H"	1.007276
"691270"	424.353476	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+H"	1.007276
"1362680"	142.122676	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H"	1.007276
"139580"	142.122676	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+2H"	2.014552
"576952"	212.680376	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+2H"	2.014552
"1052598"	71.564976	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2H"	2.014552
"218756"	95.0842093333333	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+3H"	3.021828
"652118"	142.122676	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+3H"	3.021828
"1177783"	48.0457426666667	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+3H"	3.021828
"435343"	300.264623	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+NH4"	18.033823
"797435"	441.380023	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+NH4"	18.033823
"1690849"	159.149223	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+NH4"	18.033823
"338033"	150.6359495	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+H+NH4"	19.041099
"731547"	221.1936495	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+H+NH4"	19.041099
"1478079"	80.0782495	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H+NH4"	19.041099
"396396"	305.220018	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+Na"	22.989218
"761765"	446.335418	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+Na"	22.989218
"1618262"	164.104618	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Na"	22.989218
"329866"	153.113647	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+H+Na"	23.996494
"720951"	223.671347	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+H+Na"	23.996494
"1475864"	82.555947	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H+Na"	23.996494
"1061576"	55.3730566666667	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2H+Na"	25.00377
"1269819"	174.148886	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+CH3OH+H"	33.033486
"382925"	321.193958	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+K"	38.963158
"749389"	462.309358	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+K"	38.963158
"1549254"	180.078558	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+K"	38.963158
"311900"	161.100617	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+H+K"	39.970434
"703229"	231.658317	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+H+K"	39.970434
"1455954"	90.542917	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H+K"	39.970434
"250388"	324.264626	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+ACN+H"	42.033826
"1224803"	183.149226	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+ACN+H"	42.033826
"1208806"	92.078251	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+ACN+2H"	43.041102
"200585"	327.20196	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+2Na-H"	44.97116
"641604"	468.31736	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+2Na-H"	44.97116
"1141462"	186.08656	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2Na-H"	44.97116
"178190"	164.104618	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+2Na"	45.978436
"621032"	234.662318	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+2Na"	45.978436
"1119072"	93.546918	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2Na"	45.978436
"1404784"	62.7003706666667	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H+2Na"	46.985712
"1434712"	188.128146	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H+HCOOH"	47.012746
"221492"	169.13764	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+3H2O+2H"	56.04448
"1513566"	202.18019	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+IsoProp+H"	61.06479
"419813"	172.091588	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+Na+K"	61.952376
"784089"	242.649288	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+Na+K"	61.952376
"1680786"	101.533888	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Na+K"	61.952376
"258201"	346.246568	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+ACN+Na"	64.015768
"1232003"	205.131168	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+ACN+Na"	64.015768
"1724170"	205.154693	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+NH4+HCOOH"	64.039293
"1186245"	70.0276846666667	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+3Na"	68.967654
"1655044"	210.110088	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Na+HCOOH"	68.994688
"166278"	359.14984	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+2K-H"	76.91904
"610210"	500.26524	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+2K-H"	76.91904
"1096911"	218.03444	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2K-H"	76.91904
"149352"	180.078558	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"2M+2K"	77.926316
"590005"	250.636258	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"3M+2K"	77.926316
"1078893"	109.520858	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2K"	77.926316
"1103355"	220.048992	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2K+H"	78.933592
"1340831"	220.136607	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+DMSO+H"	79.021207
"1012644"	224.175776	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2ACN+H"	83.060376
"1530770"	225.169408	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+IsoProp+Na+H"	84.054008
"993937"	112.591526	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+2ACN+2H"	84.067652
"1595007"	226.084028	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+K+HCOOH"	84.968628
"1423949"	256.115538	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+H+CF3COOH"	115.000138
"1150226"	133.104801	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+3ACN+2H"	125.094202
"1704882"	273.142085	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+NH4+CF3COOH"	132.026685
"1643815"	278.09748	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+Na+CF3COOH"	136.98208
"1577278"	294.07142	"C02066"	"Pseudotropine"	"C8H15NO"	"141.1154"	"M+K+CF3COOH"	152.95602
"807647"	244.0695	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M"	0
"985556"	225.05111	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-H2O-H"	-19.01839
"74892"	161.705724	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M-3H"	-3.021828
"510078"	243.062224	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M-3H"	-3.021828
"894810"	80.349224	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-3H"	-3.021828
"9744"	243.062224	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M-2H"	-2.014552
"449305"	365.096974	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M-2H"	-2.014552
"828565"	121.027474	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-2H"	-2.014552
"88922"	487.131724	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M-H"	-1.007276
"529938"	731.201224	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M-H"	-1.007276
"907742"	243.062224	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-H"	-1.007276
"57742"	504.158271	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M-2H+NH4"	16.019271
"500222"	748.227771	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M-2H+NH4"	16.019271
"877658"	260.088771	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-2H+NH4"	16.019271
"44466"	509.113666	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M-2H+Na"	20.974666
"485485"	753.183166	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M-2H+Na"	20.974666
"861465"	265.044166	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-2H+Na"	20.974666
"1632090"	265.044166	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Na-2H"	20.974666
"107890"	261.050563	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M-H+Cl"	33.962126
"548177"	383.085313	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M-H+Cl"	33.962126
"940597"	139.015813	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-H+Cl"	33.962126
"280248"	523.108402	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+Cl"	34.969402
"666108"	767.177902	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+Cl"	34.969402
"1281792"	279.038902	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Cl"	34.969402
"25445"	525.087606	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M-2H+K"	36.948606
"460629"	769.157106	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M-2H+K"	36.948606
"843534"	281.018106	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-2H+K"	36.948606
"1566295"	281.018106	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+K-2H"	36.948606
"954176"	289.067694	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-H+HCOOH"	44.998194
"374217"	533.137201	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+HCOOH-H"	44.998201
"358465"	547.152851	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+Hac-H"	59.013851
"1505114"	303.083351	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Hac-H"	59.013851
"971558"	311.049651	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-H+NaCOOH"	66.980151
"123749"	279.038902	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+2Cl"	69.938804
"564772"	401.073652	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+2Cl"	69.938804
"1036881"	157.004152	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2Cl"	69.938804
"1254601"	322.988385	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Br"	78.918885
"1316684"	325.044372	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Cl+HCOOH"	80.974872
"1332358"	347.026329	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Cl+NaCOOH"	102.956829
"922687"	357.055086	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M-H+CF3COOH"	112.985586
"1300488"	393.031764	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Cl+CF3COOH"	148.962264
"1377193"	209.056824	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H-2H2O"	-35.012676
"1398335"	227.0668	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H-H2O"	-17.0027
"298534"	489.146276	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+H"	1.007276
"690941"	733.215776	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+H"	1.007276
"1365342"	245.076776	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H"	1.007276
"140782"	245.076776	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+2H"	2.014552
"578885"	367.111526	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+2H"	2.014552
"1050600"	123.042026	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2H"	2.014552
"218137"	163.720276	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+3H"	3.021828
"652228"	245.076776	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+3H"	3.021828
"1176919"	82.363776	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+3H"	3.021828
"436546"	506.172823	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+NH4"	18.033823
"792439"	750.242323	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+NH4"	18.033823
"1690957"	262.103323	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+NH4"	18.033823
"337050"	253.5900495	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+H+NH4"	19.041099
"727283"	375.6247995	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+H+NH4"	19.041099
"1478919"	131.5552995	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H+NH4"	19.041099
"397599"	511.128218	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+Na"	22.989218
"761875"	755.197718	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+Na"	22.989218
"1618003"	267.058718	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Na"	22.989218
"329492"	256.067747	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+H+Na"	23.996494
"719968"	378.102497	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+H+Na"	23.996494
"1474881"	134.032997	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H+Na"	23.996494
"1061686"	89.69109	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2H+Na"	25.00377
"1267743"	277.102986	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+CH3OH+H"	33.033486
"383399"	527.102158	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+K"	38.963158
"748406"	771.171658	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+K"	38.963158
"1547178"	283.032658	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+K"	38.963158
"309824"	264.054717	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+H+K"	39.970434
"703339"	386.089467	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+H+K"	39.970434
"1457157"	142.019967	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H+K"	39.970434
"250863"	530.172826	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+ACN+H"	42.033826
"1223574"	286.103326	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+ACN+H"	42.033826
"1206727"	143.555301	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+ACN+2H"	43.041102
"201785"	533.11016	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+2Na-H"	44.97116
"639162"	777.17966	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+2Na-H"	44.97116
"1136104"	289.04066	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2Na-H"	44.97116
"177206"	267.058718	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+2Na"	45.978436
"613488"	389.093468	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+2Na"	45.978436
"1116995"	145.023968	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2Na"	45.978436
"1400884"	97.018404	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H+2Na"	46.985712
"1430812"	291.082246	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H+HCOOH"	47.012746
"220507"	272.09174	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+3H2O+2H"	56.04448
"1509663"	305.13429	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+IsoProp+H"	61.06479
"413361"	275.045688	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+Na+K"	61.952376
"778731"	397.080438	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+Na+K"	61.952376
"1679073"	153.010938	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Na+K"	61.952376
"256488"	552.154768	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+ACN+Na"	64.015768
"1235393"	308.085268	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+ACN+Na"	64.015768
"1720999"	308.108793	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+NH4+HCOOH"	64.039293
"1183074"	104.345718	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+3Na"	68.967654
"1658433"	313.064188	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Na+HCOOH"	68.994688
"166387"	565.05804	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+2K-H"	76.91904
"609227"	809.12754	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+2K-H"	76.91904
"1098112"	320.98854	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2K-H"	76.91904
"149462"	283.032658	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"2M+2K"	77.926316
"587929"	405.067408	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"3M+2K"	77.926316
"1076814"	160.997908	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2K"	77.926316
"1104558"	323.003092	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2K+H"	78.933592
"1339847"	323.090707	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+DMSO+H"	79.021207
"1008378"	327.129876	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2ACN+H"	83.060376
"1526869"	328.123508	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+IsoProp+Na+H"	84.054008
"994047"	164.068576	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+2ACN+2H"	84.067652
"1595117"	329.038128	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+K+HCOOH"	84.968628
"1424059"	359.069638	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+H+CF3COOH"	115.000138
"1149972"	184.581851	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+3ACN+2H"	125.094202
"1704992"	376.096185	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+NH4+CF3COOH"	132.026685
"1645018"	381.05158	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+Na+CF3COOH"	136.98208
"1577388"	397.02552	"C02067"	"Pseudouridine"	"C9H12N2O6"	"244.0695"	"M+K+CF3COOH"	152.95602
"814689"	512.2159	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M"	0
"987857"	493.19751	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-H2O-H"	-19.01839
"72820"	340.469990666667	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M-3H"	-3.021828
"504724"	511.208624	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M-3H"	-3.021828
"884712"	169.731357333333	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-3H"	-3.021828
"1221"	511.208624	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M-2H"	-2.014552
"441147"	767.316574	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M-2H"	-2.014552
"819558"	255.100674	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-2H"	-2.014552
"87205"	1023.424524	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M-H"	-1.007276
"524581"	1535.640424	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M-H"	-1.007276
"902383"	511.208624	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-H"	-1.007276
"57488"	1040.451071	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M-2H+NH4"	16.019271
"498508"	1552.666971	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M-2H+NH4"	16.019271
"875945"	528.235171	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-2H+NH4"	16.019271
"43113"	1045.406466	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M-2H+Na"	20.974666
"484501"	1557.622366	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M-2H+Na"	20.974666
"861935"	533.190566	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-2H+Na"	20.974666
"1629284"	533.190566	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Na-2H"	20.974666
"102168"	529.196963	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M-H+Cl"	33.962126
"539543"	785.304913	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M-H+Cl"	33.962126
"930868"	273.089013	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-H+Cl"	33.962126
"274891"	1059.401202	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+Cl"	34.969402
"668405"	1571.617102	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+Cl"	34.969402
"1277529"	547.185302	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Cl"	34.969402
"18992"	1061.380406	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M-2H+K"	36.948606
"458551"	1573.596306	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M-2H+K"	36.948606
"838540"	549.164506	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-2H+K"	36.948606
"1563121"	549.164506	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+K-2H"	36.948606
"954651"	557.214094	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-H+HCOOH"	44.998194
"373598"	1069.430001	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+HCOOH-H"	44.998201
"357482"	1083.445651	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+Hac-H"	59.013851
"1507048"	571.229751	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Hac-H"	59.013851
"969848"	579.196051	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-H+NaCOOH"	66.980151
"118386"	547.185302	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+2Cl"	69.938804
"561957"	803.293252	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+2Cl"	69.938804
"1034037"	291.077352	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2Cl"	69.938804
"1250701"	591.134785	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Br"	78.918885
"1314243"	593.190772	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Cl+HCOOH"	80.974872
"1334176"	615.172729	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Cl+NaCOOH"	102.956829
"926575"	625.201486	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M-H+CF3COOH"	112.985586
"1302797"	661.178164	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Cl+CF3COOH"	148.962264
"1380228"	477.203224	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H-2H2O"	-35.012676
"1396266"	495.2132	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H-H2O"	-17.0027
"297046"	1025.439076	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+H"	1.007276
"686916"	1537.654976	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+H"	1.007276
"1362169"	513.223176	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H"	1.007276
"135789"	513.223176	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+2H"	2.014552
"576443"	769.331126	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+2H"	2.014552
"1046701"	257.115226	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2H"	2.014552
"215695"	342.484542666667	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+3H"	3.021828
"654530"	513.223176	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+3H"	3.021828
"1171561"	171.745909333333	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+3H"	3.021828
"429367"	1042.465623	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+NH4"	18.033823
"788539"	1554.681523	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+NH4"	18.033823
"1683411"	530.249723	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+NH4"	18.033823
"330633"	521.7364495	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+H+NH4"	19.041099
"726303"	777.8443995	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+H+NH4"	19.041099
"1478420"	265.6284995	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H+NH4"	19.041099
"397709"	1047.421018	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+Na"	22.989218
"761985"	1559.636918	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+Na"	22.989218
"1617986"	535.205118	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Na"	22.989218
"328019"	524.214147	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+H+Na"	23.996494
"711451"	780.322097	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+H+Na"	23.996494
"1472925"	268.106197	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H+Na"	23.996494
"1056332"	179.073223333333	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2H+Na"	25.00377
"1262389"	545.249386	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+CH3OH+H"	33.033486
"380963"	1063.394958	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+K"	38.963158
"744144"	1575.610858	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+K"	38.963158
"1545104"	551.179058	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+K"	38.963158
"307746"	532.201117	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+H+K"	39.970434
"702356"	788.309067	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+H+K"	39.970434
"1453992"	276.093167	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H+K"	39.970434
"244782"	1066.465626	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+ACN+H"	42.033826
"1214209"	554.249726	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+ACN+H"	42.033826
"1196267"	277.628501	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+ACN+2H"	43.041102
"198614"	1069.40296	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+2Na-H"	44.97116
"631245"	1581.61886	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+2Na-H"	44.97116
"1132931"	557.18706	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2Na-H"	44.97116
"173670"	535.205118	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+2Na"	45.978436
"613271"	791.313068	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+2Na"	45.978436
"1117837"	279.097168	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2Na"	45.978436
"1405007"	186.400537333333	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H+2Na"	46.985712
"1432018"	559.228646	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H+HCOOH"	47.012746
"222809"	540.23814	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+3H2O+2H"	56.04448
"1517068"	573.28069	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+IsoProp+H"	61.06479
"414573"	543.192088	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+Na+K"	61.952376
"779943"	799.300038	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+Na+K"	61.952376
"1676274"	287.084138	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Na+K"	61.952376
"259515"	1088.447568	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+ACN+Na"	64.015768
"1235504"	576.231668	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+ACN+Na"	64.015768
"1720017"	576.255193	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+NH4+HCOOH"	64.039293
"1185371"	193.727851333333	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+3Na"	68.967654
"1660729"	581.210588	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Na+HCOOH"	68.994688
"165404"	1101.35084	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+2K-H"	76.91904
"600591"	1613.56674	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+2K-H"	76.91904
"1089477"	589.13494	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2K-H"	76.91904
"147387"	551.179058	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"2M+2K"	77.926316
"582695"	807.287008	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"3M+2K"	77.926316
"1073647"	295.071108	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2K"	77.926316
"1105760"	591.149492	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2K+H"	78.933592
"1339956"	591.237107	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+DMSO+H"	79.021207
"1012874"	595.276276	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2ACN+H"	83.060376
"1534278"	596.269908	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+IsoProp+Na+H"	84.054008
"997446"	298.141776	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+2ACN+2H"	84.067652
"1589762"	597.184528	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+K+HCOOH"	84.968628
"1419795"	627.216038	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+H+CF3COOH"	115.000138
"1155553"	318.655051	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+3ACN+2H"	125.094202
"1698543"	644.242585	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+NH4+CF3COOH"	132.026685
"1635288"	649.19798	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+Na+CF3COOH"	136.98208
"1571546"	665.17192	"C02074"	"Raucaffricine;Vomilenine beta-D-glucoside"	"C27H32N2O8"	"512.2159"	"M+K+CF3COOH"	152.95602
"807872"	210.074	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M"	0
"987967"	191.05561	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-H2O-H"	-19.01839
"69648"	139.042057333333	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M-3H"	-3.021828
"512488"	209.066724	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M-3H"	-3.021828
"885914"	69.0173906666667	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-3H"	-3.021828
"6678"	209.066724	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M-2H"	-2.014552
"442959"	314.103724	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M-2H"	-2.014552
"826227"	104.029724	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-2H"	-2.014552
"86219"	419.140724	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M-H"	-1.007276
"527967"	629.214724	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M-H"	-1.007276
"905770"	209.066724	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-H"	-1.007276
"56867"	436.167271	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M-2H+NH4"	16.019271
"499225"	646.241271	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M-2H+NH4"	16.019271
"876662"	226.093271	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-2H+NH4"	16.019271
"41035"	441.122666	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M-2H+Na"	20.974666
"482787"	651.196666	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M-2H+Na"	20.974666
"860587"	231.048666	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-2H+Na"	20.974666
"1626843"	231.048666	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Na-2H"	20.974666
"102278"	227.055063	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M-H+Cl"	33.962126
"540745"	332.092063	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M-H+Cl"	33.962126
"934256"	122.018063	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-H+Cl"	33.962126
"273907"	455.117402	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+Cl"	34.969402
"668515"	665.191402	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+Cl"	34.969402
"1277639"	245.043402	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Cl"	34.969402
"18128"	457.096606	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M-2H+K"	36.948606
"458661"	667.170606	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M-2H+K"	36.948606
"837557"	247.022606	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-2H+K"	36.948606
"1566511"	247.022606	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+K-2H"	36.948606
"955489"	255.072194	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-H+HCOOH"	44.998194
"372612"	465.146201	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+HCOOH-H"	44.998201
"356498"	479.161851	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+Hac-H"	59.013851
"1499860"	269.087851	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Hac-H"	59.013851
"967400"	277.054151	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-H+NaCOOH"	66.980151
"122508"	245.043402	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+2Cl"	69.938804
"562436"	350.080402	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+2Cl"	69.938804
"1030138"	140.006402	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2Cl"	69.938804
"1253002"	288.992885	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Br"	78.918885
"1319792"	291.048872	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Cl+HCOOH"	80.974872
"1329669"	313.030829	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Cl+NaCOOH"	102.956829
"926317"	323.059586	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M-H+CF3COOH"	112.985586
"1299624"	359.036264	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Cl+CF3COOH"	148.962264
"1378879"	175.061324	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H-2H2O"	-35.012676
"1392728"	193.0713	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H-H2O"	-17.0027
"297526"	421.155276	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+H"	1.007276
"688848"	631.229276	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+H"	1.007276
"1361188"	211.081276	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H"	1.007276
"138086"	211.081276	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+2H"	2.014552
"576553"	316.118276	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+2H"	2.014552
"1047905"	106.044276	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2H"	2.014552
"215079"	141.056609333333	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+3H"	3.021828
"651362"	211.081276	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+3H"	3.021828
"1172401"	71.0319426666667	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+3H"	3.021828
"429476"	438.181823	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+NH4"	18.033823
"787311"	648.255823	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+NH4"	18.033823
"1686803"	228.107823	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+NH4"	18.033823
"332533"	219.5945495	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+H+NH4"	19.041099
"726413"	324.6315495	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+H+NH4"	19.041099
"1486795"	114.5575495	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H+NH4"	19.041099
"403287"	443.137218	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+Na"	22.989218
"762095"	653.211218	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+Na"	22.989218
"1613475"	233.063218	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Na"	22.989218
"322419"	222.072247	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+H+Na"	23.996494
"712655"	327.109247	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+H+Na"	23.996494
"1473042"	117.035247	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H+Na"	23.996494
"1057537"	78.3592566666667	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2H+Na"	25.00377
"1262497"	243.107486	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+CH3OH+H"	33.033486
"383260"	459.111158	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+K"	38.963158
"744255"	669.185158	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+K"	38.963158
"1548494"	249.037158	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+K"	38.963158
"311136"	230.059217	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+H+K"	39.970434
"701371"	335.096217	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+H+K"	39.970434
"1451914"	125.022217	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H+K"	39.970434
"242701"	462.181826	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+ACN+H"	42.033826
"1220878"	252.107826	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+ACN+H"	42.033826
"1200388"	126.557551	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+ACN+2H"	43.041102
"197631"	465.11916	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+2Na-H"	44.97116
"630632"	675.19316	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+2Na-H"	44.97116
"1133042"	255.04516	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2Na-H"	44.97116
"173657"	233.063218	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+2Na"	45.978436
"621369"	338.100218	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+2Na"	45.978436
"1123051"	128.026218	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2Na"	45.978436
"1406210"	85.6865706666667	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H+2Na"	46.985712
"1439422"	257.086746	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H+HCOOH"	47.012746
"230577"	238.09624	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+3H2O+2H"	56.04448
"1511714"	271.13879	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+IsoProp+H"	61.06479
"416869"	241.050188	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+Na+K"	61.952376
"781873"	346.087188	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+Na+K"	61.952376
"1674196"	136.013188	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Na+K"	61.952376
"261809"	484.163768	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+ACN+Na"	64.015768
"1237433"	274.089768	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+ACN+Na"	64.015768
"1722312"	274.113293	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+NH4+HCOOH"	64.039293
"1186574"	93.0138846666667	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+3Na"	68.967654
"1660839"	279.068688	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Na+HCOOH"	68.994688
"171952"	497.06704	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+2K-H"	76.91904
"605073"	707.14104	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+2K-H"	76.91904
"1091774"	286.99304	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2K-H"	76.91904
"151871"	249.037158	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"2M+2K"	77.926316
"588152"	354.074158	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"3M+2K"	77.926316
"1079223"	144.000158	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2K"	77.926316
"1110245"	289.007592	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2K+H"	78.933592
"1338985"	289.095207	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+DMSO+H"	79.021207
"1006663"	293.134376	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2ACN+H"	83.060376
"1530014"	294.128008	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+IsoProp+Na+H"	84.054008
"993181"	147.070826	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+2ACN+2H"	84.067652
"1594244"	295.042628	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+K+HCOOH"	84.968628
"1418812"	325.074138	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+H+CF3COOH"	115.000138
"1151288"	167.584101	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+3ACN+2H"	125.094202
"1699016"	342.100685	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+NH4+CF3COOH"	132.026685
"1634260"	347.05608	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+Na+CF3COOH"	136.98208
"1572142"	363.03002	"C02076"	"Sedoheptulose;D-altro-Heptulose;D-Sedoheptulose;Volemulose"	"C7H14O7"	"210.074"	"M+K+CF3COOH"	152.95602
"807982"	75.0433	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M"	0
"984797"	56.02491	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-H2O-H"	-19.01839
"69758"	49.0215906666667	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M-3H"	-3.021828
"512598"	74.036024	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M-3H"	-3.021828
"882745"	24.0071573333333	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-3H"	-3.021828
"10068"	74.036024	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M-2H"	-2.014552
"442340"	111.557674	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M-2H"	-2.014552
"825244"	36.514374	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-2H"	-2.014552
"86329"	149.079324	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M-H"	-1.007276
"528077"	224.122624	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M-H"	-1.007276
"902599"	74.036024	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-H"	-1.007276
"56977"	166.105871	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M-2H+NH4"	16.019271
"498726"	241.149171	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M-2H+NH4"	16.019271
"877621"	91.062571	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-2H+NH4"	16.019271
"41145"	171.061266	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M-2H+Na"	20.974666
"486177"	246.104566	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M-2H+Na"	20.974666
"861792"	96.017966	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-2H+Na"	20.974666
"1629139"	96.017966	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Na-2H"	20.974666
"105668"	92.024363	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M-H+Cl"	33.962126
"540855"	129.546013	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M-H+Cl"	33.962126
"934366"	54.502713	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-H+Cl"	33.962126
"272924"	185.056002	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+Cl"	34.969402
"668625"	260.099302	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+Cl"	34.969402
"1277749"	110.012702	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Cl"	34.969402
"17387"	187.035206	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M-2H+K"	36.948606
"456216"	262.078506	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M-2H+K"	36.948606
"840947"	111.991906	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-2H+K"	36.948606
"1561154"	111.991906	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+K-2H"	36.948606
"953410"	120.041494	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-H+HCOOH"	44.998194
"372722"	195.084801	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+HCOOH-H"	44.998201
"355515"	209.100451	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+Hac-H"	59.013851
"1501064"	134.057151	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Hac-H"	59.013851
"969697"	142.023451	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-H+NaCOOH"	66.980151
"122983"	110.012702	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+2Cl"	69.938804
"564494"	147.534352	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+2Cl"	69.938804
"1032435"	72.491052	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2Cl"	69.938804
"1250924"	153.962185	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Br"	78.918885
"1319454"	156.018172	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Cl+HCOOH"	80.974872
"1326498"	178.000129	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Cl+NaCOOH"	102.956829
"921929"	188.028886	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M-H+CF3COOH"	112.985586
"1293173"	224.005564	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Cl+CF3COOH"	148.962264
"1370605"	40.030624	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H-2H2O"	-35.012676
"1393201"	58.0406	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H-H2O"	-17.0027
"295078"	151.093876	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+H"	1.007276
"686404"	226.137176	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+H"	1.007276
"1359110"	76.050576	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H"	1.007276
"133456"	76.050576	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+2H"	2.014552
"575932"	113.572226	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+2H"	2.014552
"1044006"	38.528926	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2H"	2.014552
"210812"	51.0361426666667	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+3H"	3.021828
"655840"	76.050576	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+3H"	3.021828
"1171780"	26.0217093333333	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+3H"	3.021828
"429586"	168.120423	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+NH4"	18.033823
"786328"	243.163723	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+NH4"	18.033823
"1681808"	93.077123	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+NH4"	18.033823
"333007"	84.5638495	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+H+NH4"	19.041099
"723601"	122.0854995	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+H+NH4"	19.041099
"1486905"	47.0421995	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H+NH4"	19.041099
"403397"	173.075818	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+Na"	22.989218
"762205"	248.119118	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+Na"	22.989218
"1612492"	98.032518	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Na"	22.989218
"327995"	87.041547	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+H+Na"	23.996494
"714952"	124.563197	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+H+Na"	23.996494
"1465860"	49.519897	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H+Na"	23.996494
"1054730"	33.3490233333333	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2H+Na"	25.00377
"1262606"	108.076786	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+CH3OH+H"	33.033486
"379359"	189.049758	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+K"	38.963158
"745457"	264.093058	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+K"	38.963158
"1543138"	114.006458	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+K"	38.963158
"309058"	95.028517	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+H+K"	39.970434
"702575"	132.550167	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+H+K"	39.970434
"1448742"	57.506867	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H+K"	39.970434
"240624"	192.120426	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+ACN+H"	42.033826
"1211268"	117.077126	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+ACN+H"	42.033826
"1195757"	59.042201	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+ACN+2H"	43.041102
"191544"	195.05776	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+2Na-H"	44.97116
"630742"	270.10106	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+2Na-H"	44.97116
"1132297"	120.01446	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2Na-H"	44.97116
"173404"	98.032518	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+2Na"	45.978436
"621114"	135.554168	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+2Na"	45.978436
"1123889"	60.510868	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2Na"	45.978436
"1406320"	40.6763373333333	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H+2Na"	46.985712
"1440625"	122.056046	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H+HCOOH"	47.012746
"232508"	103.06554	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+3H2O+2H"	56.04448
"1511096"	136.10809	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+IsoProp+H"	61.06479
"414063"	106.019488	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+Na+K"	61.952376
"779067"	143.541138	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+Na+K"	61.952376
"1674306"	68.497838	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Na+K"	61.952376
"259732"	214.102368	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+ACN+Na"	64.015768
"1237907"	139.059068	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+ACN+Na"	64.015768
"1723515"	139.082593	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+NH4+HCOOH"	64.039293
"1185590"	48.0036513333333	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+3Na"	68.967654
"1662042"	144.037988	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Na+HCOOH"	68.994688
"172062"	227.00564	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+2K-H"	76.91904
"604090"	302.04894	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+2K-H"	76.91904
"1088603"	151.96234	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2K-H"	76.91904
"147608"	114.006458	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"2M+2K"	77.926316
"587168"	151.528108	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"3M+2K"	77.926316
"1076052"	76.484808	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2K"	77.926316
"1113636"	153.976892	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2K+H"	78.933592
"1341273"	154.064507	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+DMSO+H"	79.021207
"1007016"	158.103676	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2ACN+H"	83.060376
"1530124"	159.097308	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+IsoProp+Na+H"	84.054008
"995477"	79.555476	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+2ACN+2H"	84.067652
"1593260"	160.011928	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+K+HCOOH"	84.968628
"1418922"	190.043438	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+H+CF3COOH"	115.000138
"1151398"	100.068751	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+3ACN+2H"	125.094202
"1700218"	207.069985	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+NH4+CF3COOH"	132.026685
"1634653"	212.02538	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+Na+CF3COOH"	136.98208
"1572252"	227.99932	"C02077"	"Semicarbazide;Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide"	"CH5N3O"	"75.0433"	"M+K+CF3COOH"	152.95602
"811373"	332.1584	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M"	0
"984908"	313.14001	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-H2O-H"	-19.01839
"69868"	220.431657333333	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M-3H"	-3.021828
"517082"	331.151124	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M-3H"	-3.021828
"883950"	109.712190666667	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-3H"	-3.021828
"6899"	331.151124	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M-2H"	-2.014552
"444275"	497.230324	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M-2H"	-2.014552
"829729"	165.071924	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-2H"	-2.014552
"84254"	663.309524	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M-H"	-1.007276
"531467"	995.467924	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M-H"	-1.007276
"904897"	331.151124	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-H"	-1.007276
"57087"	680.336071	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M-2H+NH4"	16.019271
"501387"	1012.494471	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M-2H+NH4"	16.019271
"877366"	348.177671	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-2H+NH4"	16.019271
"40162"	685.291466	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M-2H+Na"	20.974666
"485921"	1017.449866	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M-2H+Na"	20.974666
"860809"	353.133066	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-2H+Na"	20.974666
"1632528"	353.133066	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Na-2H"	20.974666
"103592"	349.139463	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M-H+Cl"	33.962126
"540966"	515.218663	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M-H+Cl"	33.962126
"933383"	183.060263	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-H+Cl"	33.962126
"274126"	699.286202	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+Cl"	34.969402
"667643"	1031.444602	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+Cl"	34.969402
"1275672"	367.127802	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Cl"	34.969402
"18228"	701.265406	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M-2H+K"	36.948606
"455961"	1033.423806	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M-2H+K"	36.948606
"842151"	369.107006	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-2H+K"	36.948606
"1567825"	369.107006	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+K-2H"	36.948606
"953522"	377.156594	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-H+HCOOH"	44.998194
"371740"	709.315001	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+HCOOH-H"	44.998201
"353437"	723.330651	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+Hac-H"	59.013851
"1500082"	391.172251	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Hac-H"	59.013851
"970540"	399.138551	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-H+NaCOOH"	66.980151
"123827"	367.127802	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+2Cl"	69.938804
"563381"	533.207002	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+2Cl"	69.938804
"1031452"	201.048602	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2Cl"	69.938804
"1251034"	411.077285	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Br"	78.918885
"1318470"	413.133272	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Cl+HCOOH"	80.974872
"1331711"	435.115229	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Cl+NaCOOH"	102.956829
"921675"	445.143986	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M-H+CF3COOH"	112.985586
"1296563"	481.120664	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Cl+CF3COOH"	148.962264
"1372538"	297.145724	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H-2H2O"	-35.012676
"1392219"	315.1557	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H-H2O"	-17.0027
"292272"	665.324076	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+H"	1.007276
"684328"	997.482476	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+H"	1.007276
"1362137"	333.165676	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H"	1.007276
"134660"	333.165676	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+2H"	2.014552
"576408"	499.244876	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+2H"	2.014552
"1041928"	167.086476	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2H"	2.014552
"208736"	222.446209333333	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+3H"	3.021828
"652670"	333.165676	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+3H"	3.021828
"1165330"	111.726742666667	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+3H"	3.021828
"426417"	682.350623	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+NH4"	18.033823
"786439"	1014.509023	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+NH4"	18.033823
"1681339"	350.192223	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+NH4"	18.033823
"330190"	341.6789495	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+H+NH4"	19.041099
"724202"	507.7581495	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+H+NH4"	19.041099
"1483735"	175.5997495	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H+NH4"	19.041099
"400227"	687.306018	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+Na"	22.989218
"759035"	1019.464418	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+Na"	22.989218
"1609324"	355.147618	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Na"	22.989218
"321548"	344.156647	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+H+Na"	23.996494
"710688"	510.235847	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+H+Na"	23.996494
"1464146"	178.077447	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H+Na"	23.996494
"1055569"	119.054056666667	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2H+Na"	25.00377
"1259799"	365.191886	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+CH3OH+H"	33.033486
"383478"	703.279958	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+K"	38.963158
"746661"	1035.438358	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+K"	38.963158
"1546529"	371.121558	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+K"	38.963158
"309169"	352.143617	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+H+K"	39.970434
"701592"	518.222817	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+H+K"	39.970434
"1451038"	186.064417	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H+K"	39.970434
"238550"	706.350626	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+ACN+H"	42.033826
"1211499"	374.192226	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+ACN+H"	42.033826
"1194896"	187.599751	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+ACN+2H"	43.041102
"190319"	709.28796	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+2Na-H"	44.97116
"629390"	1041.44636	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+2Na-H"	44.97116
"1131717"	377.12956	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2Na-H"	44.97116
"173046"	355.147618	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+2Na"	45.978436
"622317"	521.226818	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+2Na"	45.978436
"1120719"	189.068418	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2Na"	45.978436
"1410442"	126.381370666667	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H+2Na"	46.985712
"1437455"	379.171146	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H+HCOOH"	47.012746
"231524"	360.18064	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+3H2O+2H"	56.04448
"1519588"	393.22319	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+IsoProp+H"	61.06479
"420370"	363.134588	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+Na+K"	61.952376
"772618"	529.213788	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+Na+K"	61.952376
"1674414"	197.055388	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Na+K"	61.952376
"264216"	728.332568	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+ACN+Na"	64.015768
"1238020"	396.174168	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+ACN+Na"	64.015768
"1722532"	396.197693	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+NH4+HCOOH"	64.039293
"1183514"	133.708684666667	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+3Na"	68.967654
"1656686"	401.153088	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Na+HCOOH"	68.994688
"167920"	741.23584	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+2K-H"	76.91904
"604201"	1073.39424	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+2K-H"	76.91904
"1093088"	409.07744	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2K-H"	76.91904
"148812"	371.121558	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"2M+2K"	77.926316
"589466"	537.200758	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"3M+2K"	77.926316
"1077256"	205.042358	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2K"	77.926316
"1107185"	411.091992	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2K+H"	78.933592
"1338103"	411.179607	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+DMSO+H"	79.021207
"1013203"	415.218776	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2ACN+H"	83.060376
"1532422"	416.212408	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+IsoProp+Na+H"	84.054008
"996682"	208.113026	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+2ACN+2H"	84.067652
"1593371"	417.127028	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+K+HCOOH"	84.968628
"1420127"	447.158538	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+H+CF3COOH"	115.000138
"1154788"	228.626301	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+3ACN+2H"	125.094202
"1701057"	464.185085	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+NH4+CF3COOH"	132.026685
"1636712"	469.14048	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+Na+CF3COOH"	136.98208
"1572723"	485.11442	"C02078"	"Spectinomycin"	"C14H24N2O7"	"332.1584"	"M+K+CF3COOH"	152.95602
"814765"	466.2005	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M"	0
"987205"	447.18211	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-H2O-H"	-19.01839
"74353"	309.793057333333	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M-3H"	-3.021828
"505167"	465.193224	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M-3H"	-3.021828
"881875"	154.392890666667	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-3H"	-3.021828
"3731"	465.193224	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M-2H"	-2.014552
"442197"	698.293474	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M-2H"	-2.014552
"825465"	232.092974	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-2H"	-2.014552
"79746"	931.393724	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M-H"	-1.007276
"519671"	1397.594224	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M-H"	-1.007276
"900635"	465.193224	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-H"	-1.007276
"57197"	948.420271	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M-2H+NH4"	16.019271
"500769"	1414.620771	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M-2H+NH4"	16.019271
"876747"	482.219771	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-2H+NH4"	16.019271
"44648"	953.375666	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M-2H+Na"	20.974666
"485547"	1419.576166	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M-2H+Na"	20.974666
"859827"	487.175166	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-2H+Na"	20.974666
"1629360"	487.175166	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Na-2H"	20.974666
"102610"	483.181563	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M-H+Cl"	33.962126
"543264"	716.281813	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M-H+Cl"	33.962126
"933495"	250.081313	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-H+Cl"	33.962126
"273145"	967.370402	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+Cl"	34.969402
"666659"	1433.570902	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+Cl"	34.969402
"1277969"	501.169902	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Cl"	34.969402
"17245"	969.349606	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M-2H+K"	36.948606
"461179"	1435.550106	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M-2H+K"	36.948606
"838980"	503.149106	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-2H+K"	36.948606
"1557000"	503.149106	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+K-2H"	36.948606
"945976"	511.198694	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-H+HCOOH"	44.998194
"371848"	977.399201	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+HCOOH-H"	44.998201
"354639"	991.414851	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+Hac-H"	59.013851
"1502379"	525.214351	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Hac-H"	59.013851
"970286"	533.180651	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-H+NaCOOH"	66.980151
"123937"	501.169902	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+2Cl"	69.938804
"562764"	734.270152	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+2Cl"	69.938804
"1030469"	268.069652	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2Cl"	69.938804
"1247864"	545.119385	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Br"	78.918885
"1317972"	547.175372	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Cl+HCOOH"	80.974872
"1332186"	569.157329	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Cl+NaCOOH"	102.956829
"919964"	579.186086	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M-H+CF3COOH"	112.985586
"1299954"	615.162764	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Cl+CF3COOH"	148.962264
"1378845"	431.187824	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H-2H2O"	-35.012676
"1392330"	449.1978	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H-H2O"	-17.0027
"290922"	933.408276	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+H"	1.007276
"683345"	1399.608776	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+H"	1.007276
"1356413"	467.207776	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H"	1.007276
"128211"	467.207776	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+2H"	2.014552
"569957"	700.308026	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+2H"	2.014552
"1040947"	234.107526	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2H"	2.014552
"205568"	311.807609333333	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+3H"	3.021828
"644594"	467.207776	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+3H"	3.021828
"1166533"	156.407442666667	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+3H"	3.021828
"424582"	950.434823	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+NH4"	18.033823
"786019"	1416.635323	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+NH4"	18.033823
"1681438"	484.234323	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+NH4"	18.033823
"330221"	475.7210495	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+H+NH4"	19.041099
"724920"	708.8212995	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+H+NH4"	19.041099
"1483845"	242.6207995	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H+NH4"	19.041099
"400337"	955.390218	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+Na"	22.989218
"759145"	1421.590718	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+Na"	22.989218
"1609434"	489.189718	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Na"	22.989218
"319471"	478.198747	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+H+Na"	23.996494
"716266"	711.298997	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+H+Na"	23.996494
"1463891"	245.098497	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H+Na"	23.996494
"1055315"	163.734756666667	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2H+Na"	25.00377
"1261731"	499.233986	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+CH3OH+H"	33.033486
"381402"	971.364158	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+K"	38.963158
"746771"	1437.564658	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+K"	38.963158
"1546639"	505.163658	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+K"	38.963158
"307092"	486.185717	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+H+K"	39.970434
"700609"	719.285967	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+H+K"	39.970434
"1450055"	253.085467	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H+K"	39.970434
"237566"	974.434826	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+ACN+H"	42.033826
"1210394"	508.234326	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+ACN+H"	42.033826
"1195248"	254.620801	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+ACN+2H"	43.041102
"188848"	977.37216	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+2Na-H"	44.97116
"628587"	1443.57266	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+2Na-H"	44.97116
"1131825"	511.17166	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2Na-H"	44.97116
"172878"	489.189718	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+2Na"	45.978436
"622063"	722.289968	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+2Na"	45.978436
"1125205"	256.089468	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2Na"	45.978436
"1407636"	171.062070666667	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H+2Na"	46.985712
"1441577"	513.213246	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H+HCOOH"	47.012746
"231634"	494.22274	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+3H2O+2H"	56.04448
"1520791"	527.26529	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+IsoProp+H"	61.06479
"415015"	497.176688	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+Na+K"	61.952376
"774916"	730.276938	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+Na+K"	61.952376
"1677806"	264.076438	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Na+K"	61.952376
"263233"	996.416768	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+ACN+Na"	64.015768
"1237037"	530.216268	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+ACN+Na"	64.015768
"1724829"	530.239793	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+NH4+HCOOH"	64.039293
"1184718"	178.389384666667	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+3Na"	68.967654
"1655702"	535.195188	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Na+HCOOH"	68.994688
"161471"	1009.32004	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+2K-H"	76.91904
"601031"	1475.52054	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+2K-H"	76.91904
"1091378"	543.11954	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2K-H"	76.91904
"145639"	505.163658	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"2M+2K"	77.926316
"586297"	738.263908	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"3M+2K"	77.926316
"1071902"	272.063408	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2K"	77.926316
"1105109"	545.134092	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2K+H"	78.933592
"1340399"	545.221707	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+DMSO+H"	79.021207
"1014406"	549.260876	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2ACN+H"	83.060376
"1530345"	550.254508	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+IsoProp+Na+H"	84.054008
"1000073"	275.134076	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+2ACN+2H"	84.067652
"1595669"	551.169128	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+K+HCOOH"	84.968628
"1423517"	581.200638	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+H+CF3COOH"	115.000138
"1155991"	295.647351	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+3ACN+2H"	125.094202
"1705543"	598.227185	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+NH4+CF3COOH"	132.026685
"1634756"	603.18258	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+Na+CF3COOH"	136.98208
"1571661"	619.15652	"C02079"	"Staurosporine;STS"	"C28H26N4O3"	"466.2005"	"M+K+CF3COOH"	152.95602
"812688"	208.0008	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M"	0
"981847"	188.98241	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-H2O-H"	-19.01839
"74463"	137.659924	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M-3H"	-3.021828
"504547"	206.993524	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M-3H"	-3.021828
"881984"	68.326324	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-3H"	-3.021828
"188"	206.993524	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M-2H"	-2.014552
"440605"	310.993924	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M-2H"	-2.014552
"822294"	102.993124	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-2H"	-2.014552
"79856"	414.994324	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M-H"	-1.007276
"520389"	622.995124	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M-H"	-1.007276
"898922"	206.993524	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-H"	-1.007276
"51840"	432.020871	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M-2H+NH4"	16.019271
"498693"	640.021671	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M-2H+NH4"	16.019271
"876857"	224.020071	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-2H+NH4"	16.019271
"43300"	436.976266	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M-2H+Na"	20.974666
"483956"	644.977066	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M-2H+Na"	20.974666
"858844"	228.975466	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-2H+Na"	20.974666
"1628377"	228.975466	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Na-2H"	20.974666
"102720"	224.981863	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M-H+Cl"	33.962126
"543374"	328.982263	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M-H+Cl"	33.962126
"933605"	120.981463	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-H+Cl"	33.962126
"274348"	450.971002	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+Cl"	34.969402
"667862"	658.971802	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+Cl"	34.969402
"1280265"	242.970202	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Cl"	34.969402
"19905"	452.950206	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M-2H+K"	36.948606
"460196"	660.951006	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M-2H+K"	36.948606
"837996"	244.949406	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-2H+K"	36.948606
"1557838"	244.949406	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+K-2H"	36.948606
"946450"	252.998994	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-H+HCOOH"	44.998194
"369771"	460.999801	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+HCOOH-H"	44.998201
"353655"	475.015451	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+Hac-H"	59.013851
"1504312"	267.014651	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Hac-H"	59.013851
"970760"	274.980951	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-H+NaCOOH"	66.980151
"123318"	242.970202	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+2Cl"	69.938804
"563603"	346.970602	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+2Cl"	69.938804
"1032765"	138.969802	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2Cl"	69.938804
"1250161"	286.919685	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Br"	78.918885
"1315893"	288.975672	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Cl+HCOOH"	80.974872
"1330109"	310.957629	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Cl+NaCOOH"	102.956829
"922261"	320.986386	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M-H+CF3COOH"	112.985586
"1296784"	356.963064	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Cl+CF3COOH"	148.962264
"1376039"	172.988124	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H-2H2O"	-35.012676
"1391347"	190.9981	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H-H2O"	-17.0027
"289939"	417.008876	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+H"	1.007276
"686735"	625.009676	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+H"	1.007276
"1359804"	209.008076	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H"	1.007276
"130508"	209.008076	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+2H"	2.014552
"574441"	313.008476	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+2H"	2.014552
"1042150"	105.007676	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2H"	2.014552
"206771"	139.674476	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+3H"	3.021828
"646451"	209.008076	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+3H"	3.021828
"1165550"	70.340876	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+3H"	3.021828
"424482"	434.035423	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+NH4"	18.033823
"786291"	642.036223	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+NH4"	18.033823
"1681484"	226.034623	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+NH4"	18.033823
"331021"	217.5213495	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+H+NH4"	19.041099
"724422"	321.5217495	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+H+NH4"	19.041099
"1486142"	113.5209495	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H+NH4"	19.041099
"400447"	438.990818	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+Na"	22.989218
"762535"	646.991618	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+Na"	22.989218
"1610637"	230.990018	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Na"	22.989218
"319581"	219.999047	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+H+Na"	23.996494
"713096"	323.999447	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+H+Na"	23.996494
"1462786"	115.998647	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H+Na"	23.996494
"1056520"	77.66819	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2H+Na"	25.00377
"1262207"	241.034286	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+CH3OH+H"	33.033486
"383699"	454.964758	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+K"	38.963158
"747975"	662.965558	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+K"	38.963158
"1546749"	246.963958	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+K"	38.963158
"307203"	227.986017	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+H+K"	39.970434
"698532"	331.986417	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+H+K"	39.970434
"1451259"	123.985617	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H+K"	39.970434
"238771"	458.035426	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+ACN+H"	42.033826
"1210301"	250.034626	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+ACN+H"	42.033826
"1194386"	125.520951	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+ACN+2H"	43.041102
"188573"	460.97276	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+2Na-H"	44.97116
"628531"	668.97356	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+2Na-H"	44.97116
"1131732"	252.97196	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2Na-H"	44.97116
"172932"	230.990018	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+2Na"	45.978436
"620351"	334.990418	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+2Na"	45.978436
"1123493"	126.989618	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2Na"	45.978436
"1409933"	84.995504	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H+2Na"	46.985712
"1442416"	255.013546	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H+HCOOH"	47.012746
"230651"	236.02304	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+3H2O+2H"	56.04448
"1520537"	269.06559	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+IsoProp+H"	61.06479
"420592"	238.976988	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+Na+K"	61.952376
"780493"	342.977388	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+Na+K"	61.952376
"1679010"	134.976588	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Na+K"	61.952376
"266261"	480.017368	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+ACN+Na"	64.015768
"1238240"	272.016568	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+ACN+Na"	64.015768
"1724938"	272.040093	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+NH4+HCOOH"	64.039293
"1189201"	92.322818	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+3Na"	68.967654
"1659093"	276.995488	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Na+HCOOH"	68.994688
"160488"	492.92064	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+2K-H"	76.91904
"602233"	700.92144	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+2K-H"	76.91904
"1086749"	284.91984	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2K-H"	76.91904
"145749"	246.963958	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"2M+2K"	77.926316
"584220"	350.964358	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"3M+2K"	77.926316
"1072012"	142.963558	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2K"	77.926316
"1105220"	286.934392	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2K+H"	78.933592
"1343790"	287.022007	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+DMSO+H"	79.021207
"1009048"	291.061176	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2ACN+H"	83.060376
"1530454"	292.054808	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+IsoProp+Na+H"	84.054008
"993622"	146.034226	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+2ACN+2H"	84.067652
"1593593"	292.969428	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+K+HCOOH"	84.968628
"1422534"	323.000938	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+H+CF3COOH"	115.000138
"1155008"	166.547501	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+3ACN+2H"	125.094202
"1705653"	340.027485	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+NH4+CF3COOH"	132.026685
"1634381"	344.98288	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+Na+CF3COOH"	136.98208
"1571489"	360.95682	"C02080"	"Stipitatonate"	"C9H4O6"	"208.0008"	"M+K+CF3COOH"	152.95602
"816690"	506.1438	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M"	0
"986334"	487.12541	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-H2O-H"	-19.01839
"74575"	336.421924	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M-3H"	-3.021828
"508668"	505.136524	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M-3H"	-3.021828
"888658"	167.707324	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-3H"	-3.021828
"3952"	505.136524	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M-2H"	-2.014552
"447886"	758.208424	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M-2H"	-2.014552
"819855"	252.064624	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-2H"	-2.014552
"79475"	1011.280324	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M-H"	-1.007276
"522324"	1517.424124	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M-H"	-1.007276
"899761"	505.136524	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-H"	-1.007276
"50855"	1028.306871	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M-2H+NH4"	16.019271
"495885"	1534.450671	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M-2H+NH4"	16.019271
"876603"	522.163071	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-2H+NH4"	16.019271
"44141"	1033.262266	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M-2H+Na"	20.974666
"484431"	1539.406066	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M-2H+Na"	20.974666
"858954"	527.118466	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-2H+Na"	20.974666
"1630675"	527.118466	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Na-2H"	20.974666
"99550"	523.124863	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M-H+Cl"	33.962126
"544578"	776.196763	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M-H+Cl"	33.962126
"938091"	270.052963	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-H+Cl"	33.962126
"269357"	1047.257002	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+Cl"	34.969402
"666880"	1553.400802	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+Cl"	34.969402
"1278190"	541.113202	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Cl"	34.969402
"19652"	1049.236206	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M-2H+K"	36.948606
"460306"	1555.380006	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M-2H+K"	36.948606
"837013"	543.092406	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-2H+K"	36.948606
"1559407"	543.092406	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+K-2H"	36.948606
"947287"	551.141994	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-H+HCOOH"	44.998194
"368788"	1057.285801	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+HCOOH-H"	44.998201
"359236"	1071.301451	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+Hac-H"	59.013851
"1507666"	565.157651	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Hac-H"	59.013851
"973063"	573.123951	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-H+NaCOOH"	66.980151
"122695"	541.113202	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+2Cl"	69.938804
"560796"	794.185102	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+2Cl"	69.938804
"1032147"	288.041302	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2Cl"	69.938804
"1250271"	585.062685	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Br"	78.918885
"1317098"	587.118672	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Cl+HCOOH"	80.974872
"1332406"	609.100629	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Cl+NaCOOH"	102.956829
"923465"	619.129386	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M-H+CF3COOH"	112.985586
"1291789"	655.106064	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Cl+CF3COOH"	148.962264
"1373957"	471.131124	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H-2H2O"	-35.012676
"1386718"	489.1411	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H-H2O"	-17.0027
"290051"	1013.294876	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+H"	1.007276
"683566"	1519.438676	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+H"	1.007276
"1356635"	507.151076	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H"	1.007276
"127700"	507.151076	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+2H"	2.014552
"572366"	760.222976	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+2H"	2.014552
"1042263"	254.079176	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2H"	2.014552
"204695"	338.436476	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+3H"	3.021828
"644984"	507.151076	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+3H"	3.021828
"1163106"	169.721876	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+3H"	3.021828
"424428"	1030.321423	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+NH4"	18.033823
"785736"	1536.465223	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+NH4"	18.033823
"1682005"	524.177623	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+NH4"	18.033823
"330889"	515.6643495	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+H+NH4"	19.041099
"724044"	768.7362495	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+H+NH4"	19.041099
"1478959"	262.5924495	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H+NH4"	19.041099
"397277"	1035.276818	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+Na"	22.989218
"759364"	1541.420618	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+Na"	22.989218
"1609653"	529.133018	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Na"	22.989218
"320784"	518.142047	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+H+Na"	23.996494
"715392"	771.213947	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+H+Na"	23.996494
"1464842"	265.070147	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H+Na"	23.996494
"1059180"	177.04919	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2H+Na"	25.00377
"1264141"	539.177286	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+CH3OH+H"	33.033486
"385997"	1051.250758	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+K"	38.963158
"750271"	1557.394558	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+K"	38.963158
"1546858"	545.106958	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+K"	38.963158
"307314"	526.129017	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+H+K"	39.970434
"703015"	779.200917	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+H+K"	39.970434
"1451368"	273.057117	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H+K"	39.970434
"239974"	1054.321426	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+ACN+H"	42.033826
"1210613"	548.177626	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+ACN+H"	42.033826
"1194222"	274.592451	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+ACN+2H"	43.041102
"188606"	1057.25876	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+2Na-H"	44.97116
"628986"	1563.40256	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+2Na-H"	44.97116
"1131519"	551.11496	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2Na-H"	44.97116
"173001"	529.133018	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+2Na"	45.978436
"623379"	782.204918	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+2Na"	45.978436
"1123603"	276.061118	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2Na"	45.978436
"1408951"	184.376504	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H+2Na"	46.985712
"1443863"	553.156546	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H+HCOOH"	47.012746
"234414"	534.16604	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+3H2O+2H"	56.04448
"1521744"	567.20859	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+IsoProp+H"	61.06479
"421433"	537.119988	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+Na+K"	61.952376
"780605"	790.191888	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+Na+K"	61.952376
"1678028"	284.048088	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Na+K"	61.952376
"266250"	1076.303368	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+ACN+Na"	64.015768
"1238350"	570.159568	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+ACN+Na"	64.015768
"1727237"	570.183093	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+NH4+HCOOH"	64.039293
"1188218"	191.703818	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+3Na"	68.967654
"1655923"	575.138488	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Na+HCOOH"	68.994688
"166066"	1089.20664	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+2K-H"	76.91904
"602347"	1595.35044	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+2K-H"	76.91904
"1091233"	583.06284	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2K-H"	76.91904
"142582"	545.106958	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"2M+2K"	77.926316
"585421"	798.178858	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"3M+2K"	77.926316
"1071026"	292.035058	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2K"	77.926316
"1102050"	585.077392	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2K+H"	78.933592
"1336489"	585.165007	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+DMSO+H"	79.021207
"1006483"	589.204176	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2ACN+H"	83.060376
"1524197"	590.197808	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+IsoProp+Na+H"	84.054008
"990368"	295.105726	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+2ACN+2H"	84.067652
"1587749"	591.112428	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+K+HCOOH"	84.968628
"1415354"	621.143938	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+H+CF3COOH"	115.000138
"1148193"	315.619001	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+3ACN+2H"	125.094202
"1700296"	638.170485	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+NH4+CF3COOH"	132.026685
"1635949"	643.12588	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+Na+CF3COOH"	136.98208
"1579256"	659.09982	"C02081"	"Streptonigrin"	"C25H22N4O8"	"506.1438"	"M+K+CF3COOH"	152.95602
"816600"	120.0575	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M"	0
"988628"	101.03911	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"73589"	79.0310573333333	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"504402"	119.050224	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"889861"	39.0118906666667	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"4062"	119.050224	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"444716"	179.078974	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"819965"	59.021474	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"80321"	239.107724	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"525350"	359.165224	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"899871"	119.050224	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"52059"	256.134271	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"496724"	376.191771	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"875256"	136.076771	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"44250"	261.089666	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"484905"	381.147166	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"861252"	141.032166	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1631879"	141.032166	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"99660"	137.038563	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"544688"	197.067313	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"938201"	77.009813	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"271289"	275.084402	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"668084"	395.141902	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1281580"	155.026902	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"19762"	277.063606	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"462602"	397.121106	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"838216"	157.006106	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1560610"	157.006106	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"950680"	165.055694	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"369991"	285.113201	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"358617"	299.128851	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1506721"	179.071351	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"973534"	187.037651	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"120980"	155.026902	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"561634"	215.055652	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1029704"	94.998152	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1252203"	198.976385	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1315020"	201.032372	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1330328"	223.014329	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"919199"	233.043086	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1291168"	269.019764	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1369695"	85.044824	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1385368"	103.0548	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"284693"	241.122276	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"677478"	361.179776	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1353466"	121.064776	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H"	1.007276
"127444"	121.064776	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"567008"	181.093526	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1043466"	61.036026	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"208085"	81.0456093333333	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"645094"	121.064776	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1162868"	41.0264426666667	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"424545"	258.148823	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"785899"	378.206323	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1681996"	138.091323	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"332463"	129.5780495	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"724156"	189.6067995	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1487453"	69.5492995	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"406136"	263.104218	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"766037"	383.161718	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1611951"	143.046718	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"321989"	132.055747	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"714409"	192.084497	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1464952"	72.026997	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1058197"	48.3537566666667	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1260970"	153.090986	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"387199"	279.078158	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"749288"	399.135658	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1552433"	159.020658	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+K"	38.963158
"308516"	140.042717	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"706041"	200.071467	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1453665"	80.013967	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"240083"	282.148826	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1212059"	162.091326	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1195088"	81.549301	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"189658"	285.08616	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"629582"	405.14366	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1132729"	165.02866	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"174076"	143.046718	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"623124"	203.075468	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1123349"	83.017968	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1412708"	55.6810706666667	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1444825"	167.070246	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"234890"	148.07974	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1521979"	181.12229	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"419719"	151.033688	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"781808"	211.062438	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1674130"	91.004938	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"261378"	304.130768	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1238460"	184.073268	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1727347"	184.096793	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1186142"	63.0083846666667	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1654940"	189.052188	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"166176"	317.03404	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"597516"	437.09154	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1084419"	196.97654	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"142202"	159.020658	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"583711"	219.049408	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1071864"	98.991908	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1103252"	198.991092	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1336599"	199.078707	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1006353"	203.117876	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1524841"	204.111508	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"990317"	102.062576	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1590533"	205.026128	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1416193"	235.057638	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1150128"	122.575851	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1701500"	252.084185	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1635330"	257.03958	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1578273"	273.01352	"C02083"	"Styrene oxide;Styrene-78-oxide"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"813017"	225.8734	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M"	0
"987644"	206.85501	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-H2O-H"	-19.01839
"73699"	149.574990666667	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M-3H"	-3.021828
"508888"	224.866124	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M-3H"	-3.021828
"886690"	74.2838573333333	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-3H"	-3.021828
"888"	224.866124	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M-2H"	-2.014552
"448106"	337.802824	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M-2H"	-2.014552
"825908"	111.929424	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-2H"	-2.014552
"80431"	450.739524	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M-H"	-1.007276
"522908"	676.612924	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M-H"	-1.007276
"899981"	224.866124	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-H"	-1.007276
"58729"	467.766071	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M-2H+NH4"	16.019271
"499023"	693.639471	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M-2H+NH4"	16.019271
"878891"	241.892671	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-2H+NH4"	16.019271
"44359"	472.721466	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M-2H+Na"	20.974666
"482828"	698.594866	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M-2H+Na"	20.974666
"862455"	246.848066	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-2H+Na"	20.974666
"1633571"	246.848066	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Na-2H"	20.974666
"105238"	242.854463	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M-H+Cl"	33.962126
"545891"	355.791163	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M-H+Cl"	33.962126
"940863"	129.917763	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-H+Cl"	33.962126
"273586"	486.716202	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+Cl"	34.969402
"664915"	712.589602	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+Cl"	34.969402
"1277317"	260.842802	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Cl"	34.969402
"21329"	488.695406	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M-2H+K"	36.948606
"463805"	714.568806	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M-2H+K"	36.948606
"841606"	262.822006	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-2H+K"	36.948606
"1561814"	262.822006	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+K-2H"	36.948606
"948604"	270.871594	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-H+HCOOH"	44.998194
"366091"	496.745001	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+HCOOH-H"	44.998201
"355081"	510.760651	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+Hac-H"	59.013851
"1506831"	284.887251	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Hac-H"	59.013851
"971090"	292.853551	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-H+NaCOOH"	66.980151
"123277"	260.842802	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+2Cl"	69.938804
"560651"	373.779502	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+2Cl"	69.938804
"1027993"	147.906102	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2Cl"	69.938804
"1253407"	304.792285	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Br"	78.918885
"1318411"	306.848272	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Cl+HCOOH"	80.974872
"1334086"	328.830229	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Cl+NaCOOH"	102.956829
"924777"	338.858986	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M-H+CF3COOH"	112.985586
"1292739"	374.835664	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Cl+CF3COOH"	148.962264
"1369808"	190.860724	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H-2H2O"	-35.012676
"1384021"	208.8707	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H-H2O"	-17.0027
"290272"	452.754076	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+H"	1.007276
"680507"	678.627476	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+H"	1.007276
"1360138"	226.880676	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H"	1.007276
"131933"	226.880676	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+2H"	2.014552
"571493"	339.817376	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+2H"	2.014552
"1044670"	113.943976	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2H"	2.014552
"207102"	151.589542666667	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+3H"	3.021828
"645080"	226.880676	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+3H"	3.021828
"1162878"	76.2984093333333	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+3H"	3.021828
"424494"	469.780623	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+NH4"	18.033823
"785668"	695.654023	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+NH4"	18.033823
"1686848"	243.907223	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+NH4"	18.033823
"335856"	235.3939495	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+H+NH4"	19.041099
"723572"	348.3306495	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+H+NH4"	19.041099
"1483191"	122.4572495	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H+NH4"	19.041099
"408071"	474.736018	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+Na"	22.989218
"768337"	700.609418	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+Na"	22.989218
"1610969"	248.862618	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Na"	22.989218
"322098"	237.871647	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+H+Na"	23.996494
"715612"	350.808347	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+H+Na"	23.996494
"1467250"	124.934947	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H+Na"	23.996494
"1059402"	83.6257233333333	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2H+Na"	25.00377
"1261080"	258.906886	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+CH3OH+H"	33.033486
"387309"	490.709958	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+K"	38.963158
"746118"	716.583358	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+K"	38.963158
"1551451"	264.836558	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+K"	38.963158
"310815"	245.858617	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+H+K"	39.970434
"705786"	358.795317	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+H+K"	39.970434
"1448306"	132.921917	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H+K"	39.970434
"236541"	493.780626	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+ACN+H"	42.033826
"1210828"	267.907226	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+ACN+H"	42.033826
"1195195"	134.457251	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+ACN+2H"	43.041102
"188956"	496.71796	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+2Na-H"	44.97116
"628675"	722.59136	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+2Na-H"	44.97116
"1131375"	270.84456	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2Na-H"	44.97116
"173049"	248.862618	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+2Na"	45.978436
"623234"	361.799318	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+2Na"	45.978436
"1123459"	135.925918	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2Na"	45.978436
"1411360"	90.9530373333333	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H+2Na"	46.985712
"1442381"	272.886146	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H+HCOOH"	47.012746
"235244"	253.89564	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+3H2O+2H"	56.04448
"1523061"	286.93819	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+IsoProp+H"	61.06479
"419830"	256.849588	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+Na+K"	61.952376
"780826"	369.786288	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+Na+K"	61.952376
"1674969"	143.912888	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Na+K"	61.952376
"264768"	515.762568	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+ACN+Na"	64.015768
"1236385"	289.889168	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+ACN+Na"	64.015768
"1723085"	289.912693	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+NH4+HCOOH"	64.039293
"1186252"	98.2803513333333	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+3Na"	68.967654
"1653229"	294.868088	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Na+HCOOH"	68.994688
"166286"	528.66584	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+2K-H"	76.91904
"599653"	754.53924	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+2K-H"	76.91904
"1093642"	302.79244	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2K-H"	76.91904
"143168"	264.836558	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"2M+2K"	77.926316
"583457"	377.773258	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"3M+2K"	77.926316
"1070881"	151.899858	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2K"	77.926316
"1100808"	304.806992	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2K+H"	78.933592
"1337556"	304.894607	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+DMSO+H"	79.021207
"1006580"	308.933776	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2ACN+H"	83.060376
"1526409"	309.927408	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+IsoProp+Na+H"	84.054008
"993952"	154.970526	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+2ACN+2H"	84.067652
"1588577"	310.842028	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+K+HCOOH"	84.968628
"1415330"	340.873538	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+H+CF3COOH"	115.000138
"1149874"	175.483801	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+3ACN+2H"	125.094202
"1705984"	357.900085	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+NH4+CF3COOH"	132.026685
"1635438"	362.85548	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+Na+CF3COOH"	136.98208
"1578383"	378.82942	"C02084"	"Tetrathionate;Tetrathionic acid"	"H2S4O6"	"225.8734"	"M+K+CF3COOH"	152.95602
"813127"	91.9932	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M"	0
"987390"	72.97481	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-H2O-H"	-19.01839
"73811"	60.321524	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M-3H"	-3.021828
"508998"	90.985924	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M-3H"	-3.021828
"892268"	29.657124	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-3H"	-3.021828
"2457"	90.985924	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M-2H"	-2.014552
"448216"	136.982524	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M-2H"	-2.014552
"826019"	44.989324	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-2H"	-2.014552
"83457"	182.979124	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M-H"	-1.007276
"519007"	274.972324	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M-H"	-1.007276
"897538"	90.985924	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-H"	-1.007276
"55559"	200.005671	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M-2H+NH4"	16.019271
"500226"	291.998871	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M-2H+NH4"	16.019271
"879004"	108.012471	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-2H+NH4"	16.019271
"45929"	204.961066	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M-2H+Na"	20.974666
"486424"	296.954266	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M-2H+Na"	20.974666
"863540"	112.967866	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-2H+Na"	20.974666
"1634048"	112.967866	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Na-2H"	20.974666
"105348"	108.974263	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M-H+Cl"	33.962126
"547095"	154.970863	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M-H+Cl"	33.962126
"928702"	62.977663	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-H+Cl"	33.962126
"272604"	218.955802	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+Cl"	34.969402
"664658"	310.949002	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+Cl"	34.969402
"1277429"	126.962602	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Cl"	34.969402
"21440"	220.935006	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M-2H+K"	36.948606
"463914"	312.928206	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M-2H+K"	36.948606
"841715"	128.941806	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-2H+K"	36.948606
"1562650"	128.941806	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+K-2H"	36.948606
"950169"	136.991394	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-H+HCOOH"	44.998194
"368023"	228.984601	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+HCOOH-H"	44.998201
"354093"	243.000251	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+Hac-H"	59.013851
"1499648"	151.007051	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Hac-H"	59.013851
"963543"	158.973351	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-H+NaCOOH"	66.980151
"115004"	126.962602	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+2Cl"	69.938804
"553837"	172.959202	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+2Cl"	69.938804
"1027742"	80.966002	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2Cl"	69.938804
"1250601"	170.912085	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Br"	78.918885
"1318519"	172.968072	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Cl+HCOOH"	80.974872
"1321435"	194.950029	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Cl+NaCOOH"	102.956829
"913950"	204.978786	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M-H+CF3COOH"	112.985586
"1292845"	240.955464	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Cl+CF3COOH"	148.962264
"1372463"	56.980524	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H-2H2O"	-35.012676
"1387412"	74.9905	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H-H2O"	-17.0027
"284182"	184.993676	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+H"	1.007276
"676481"	276.986876	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+H"	1.007276
"1353683"	93.000476	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H"	1.007276
"126572"	93.000476	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+2H"	2.014552
"567230"	138.997076	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+2H"	2.014552
"1042591"	47.003876	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2H"	2.014552
"205754"	62.336076	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+3H"	3.021828
"644336"	93.000476	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+3H"	3.021828
"1162907"	31.671676	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+3H"	3.021828
"425985"	202.020223	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+NH4"	18.033823
"785705"	294.013423	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+NH4"	18.033823
"1681443"	110.027023	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+NH4"	18.033823
"333413"	101.5137495	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+H+NH4"	19.041099
"724740"	147.5103495	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+H+NH4"	19.041099
"1483301"	55.5171495	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H+NH4"	19.041099
"408060"	206.975618	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+Na"	22.989218
"759697"	298.968818	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+Na"	22.989218
"1608892"	114.982418	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Na"	22.989218
"320021"	103.991447	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+H+Na"	23.996494
"712448"	149.988047	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+H+Na"	23.996494
"1466268"	57.994847	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H+Na"	23.996494
"1059513"	38.99899	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2H+Na"	25.00377
"1262282"	125.026686	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+CH3OH+H"	33.033486
"383043"	222.949558	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+K"	38.963158
"748413"	314.942758	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+K"	38.963158
"1545001"	130.956358	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+K"	38.963158
"303270"	111.978417	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+H+K"	39.970434
"693504"	157.975017	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+H+K"	39.970434
"1446959"	65.981817	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H+K"	39.970434
"235918"	226.020226	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+ACN+H"	42.033826
"1210210"	134.027026	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+ACN+H"	42.033826
"1194208"	67.517151	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+ACN+2H"	43.041102
"189511"	228.95756	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+2Na-H"	44.97116
"628707"	320.95076	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+2Na-H"	44.97116
"1132833"	136.96436	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2Na-H"	44.97116
"181597"	114.982418	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+2Na"	45.978436
"621158"	160.979018	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+2Na"	45.978436
"1126853"	68.985818	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2Na"	45.978436
"1414115"	46.326304	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H+2Na"	46.985712
"1445413"	139.005946	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H+HCOOH"	47.012746
"228910"	120.01544	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+3H2O+2H"	56.04448
"1514783"	153.05799	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+IsoProp+H"	61.06479
"414470"	122.969388	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+Na+K"	61.952376
"779844"	168.965988	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+Na+K"	61.952376
"1677267"	76.972788	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Na+K"	61.952376
"262691"	248.002168	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+ACN+Na"	64.015768
"1239774"	156.008968	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+ACN+Na"	64.015768
"1716998"	156.032493	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+NH4+HCOOH"	64.039293
"1186360"	53.653618	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+3Na"	68.967654
"1655160"	160.987888	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Na+HCOOH"	68.994688
"159471"	260.90544	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+2K-H"	76.91904
"601581"	352.89864	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+2K-H"	76.91904
"1087553"	168.91224	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2K-H"	76.91904
"150566"	130.956358	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"2M+2K"	77.926316
"584656"	176.952958	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"3M+2K"	77.926316
"1069779"	84.959758	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2K"	77.926316
"1101405"	170.926792	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2K+H"	78.933592
"1343145"	171.014407	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+DMSO+H"	79.021207
"1010584"	175.053576	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2ACN+H"	83.060376
"1526519"	176.047208	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+IsoProp+Na+H"	84.054008
"991875"	88.030426	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+2ACN+2H"	84.067652
"1587141"	176.961828	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+K+HCOOH"	84.968628
"1416779"	206.993338	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+H+CF3COOH"	115.000138
"1149984"	108.543701	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+3ACN+2H"	125.094202
"1700628"	224.019885	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+NH4+CF3COOH"	132.026685
"1635549"	228.97528	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+Na+CF3COOH"	136.98208
"1581773"	244.94922	"C02086"	"Thioglycolate;Mercaptoacetic acid;Mercaptoethanoic acid;Thioglycolic acid"	"C2H4O2S"	"91.9932"	"M+K+CF3COOH"	152.95602
"815060"	332.1074	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M"	0
"987500"	313.08901	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-H2O-H"	-19.01839
"73921"	220.397657333333	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M-3H"	-3.021828
"514576"	331.100124	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M-3H"	-3.021828
"891651"	109.695190666667	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-3H"	-3.021828
"6579"	331.100124	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M-2H"	-2.014552
"451973"	497.153824	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M-2H"	-2.014552
"826130"	165.046424	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-2H"	-2.014552
"81746"	663.207524	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M-H"	-1.007276
"522399"	995.314924	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M-H"	-1.007276
"905668"	331.100124	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-H"	-1.007276
"57856"	680.234071	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M-2H+NH4"	16.019271
"500336"	1012.341471	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M-2H+NH4"	16.019271
"879111"	348.126671	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-2H+NH4"	16.019271
"46039"	685.189466	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M-2H+Na"	20.974666
"486695"	1017.296866	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M-2H+Na"	20.974666
"862312"	353.082066	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-2H+Na"	20.974666
"1632212"	353.082066	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Na-2H"	20.974666
"107644"	349.088463	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M-H+Cl"	33.962126
"541737"	515.142163	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M-H+Cl"	33.962126
"930876"	183.034763	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-H+Cl"	33.962126
"271620"	699.184202	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+Cl"	34.969402
"664039"	1031.291602	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+Cl"	34.969402
"1276808"	367.076802	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Cl"	34.969402
"22642"	701.163406	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M-2H+K"	36.948606
"466209"	1033.270806	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M-2H+K"	36.948606
"841460"	369.056006	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-2H+K"	36.948606
"1564218"	369.056006	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+K-2H"	36.948606
"949917"	377.105594	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-H+HCOOH"	44.998194
"368860"	709.213001	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+HCOOH-H"	44.998201
"354203"	723.228651	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+Hac-H"	59.013851
"1499758"	391.121251	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Hac-H"	59.013851
"964382"	399.087551	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-H+NaCOOH"	66.980151
"118394"	367.076802	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+2Cl"	69.938804
"555770"	533.130502	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+2Cl"	69.938804
"1031132"	201.023102	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2Cl"	69.938804
"1253627"	411.026285	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Br"	78.918885
"1317171"	413.082272	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Cl+HCOOH"	80.974872
"1321546"	435.064229	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Cl+NaCOOH"	102.956829
"914060"	445.092986	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M-H+CF3COOH"	112.985586
"1291498"	481.069664	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Cl+CF3COOH"	148.962264
"1370023"	297.094724	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H-2H2O"	-35.012676
"1387521"	315.1047	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H-H2O"	-17.0027
"285385"	665.222076	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+H"	1.007276
"677079"	997.329476	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+H"	1.007276
"1353064"	333.114676	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H"	1.007276
"126318"	333.114676	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+2H"	2.014552
"568800"	499.168376	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+2H"	2.014552
"1040516"	167.060976	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2H"	2.014552
"206229"	222.412209333333	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+3H"	3.021828
"644261"	333.114676	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+3H"	3.021828
"1163299"	111.709742666667	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+3H"	3.021828
"425121"	682.248623	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+NH4"	18.033823
"791460"	1014.356023	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+NH4"	18.033823
"1681630"	350.141223	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+NH4"	18.033823
"330271"	341.6279495	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+H+NH4"	19.041099
"724120"	507.6816495	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+H+NH4"	19.041099
"1484505"	175.5742495	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H+NH4"	19.041099
"405375"	687.204018	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+Na"	22.989218
"763089"	1019.311418	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+Na"	22.989218
"1606814"	355.096618	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Na"	22.989218
"325599"	344.105647	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+H+Na"	23.996494
"714745"	510.159347	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+H+Na"	23.996494
"1466378"	178.051947	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H+Na"	23.996494
"1060716"	119.037056666667	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2H+Na"	25.00377
"1265672"	365.140886	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+CH3OH+H"	33.033486
"384247"	703.177958	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+K"	38.963158
"747429"	1035.285358	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+K"	38.963158
"1546205"	371.070558	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+K"	38.963158
"303380"	352.092617	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+H+K"	39.970434
"694708"	518.146317	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+H+K"	39.970434
"1446138"	186.038917	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H+K"	39.970434
"235828"	706.248626	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+ACN+H"	42.033826
"1210114"	374.141226	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+ACN+H"	42.033826
"1194521"	187.574251	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+ACN+2H"	43.041102
"190226"	709.18596	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+2Na-H"	44.97116
"628896"	1041.29336	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+2Na-H"	44.97116
"1131836"	377.07856	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2Na-H"	44.97116
"178426"	355.096618	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+2Na"	45.978436
"623821"	521.150318	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+2Na"	45.978436
"1128422"	189.042918	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2Na"	45.978436
"1412310"	126.364370666667	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H+2Na"	46.985712
"1445281"	379.120146	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H+HCOOH"	47.012746
"229020"	360.12964	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+3H2O+2H"	56.04448
"1513800"	393.17219	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+IsoProp+H"	61.06479
"413487"	363.083588	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+Na+K"	61.952376
"776672"	529.137288	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+Na+K"	61.952376
"1671909"	197.029888	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Na+K"	61.952376
"261707"	728.230568	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+ACN+Na"	64.015768
"1238790"	396.123168	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+ACN+Na"	64.015768
"1725492"	396.146693	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+NH4+HCOOH"	64.039293
"1185377"	133.691684666667	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+3Na"	68.967654
"1654177"	401.102088	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Na+HCOOH"	68.994688
"162497"	741.13384	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+2K-H"	76.91904
"602788"	1073.24124	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+2K-H"	76.91904
"1085842"	409.02644	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2K-H"	76.91904
"146302"	371.070558	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"2M+2K"	77.926316
"582216"	537.124258	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"3M+2K"	77.926316
"1069404"	205.016858	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2K"	77.926316
"1100790"	411.040992	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2K+H"	78.933592
"1343255"	411.128607	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+DMSO+H"	79.021207
"1015798"	415.167776	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2ACN+H"	83.060376
"1531004"	416.161408	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+IsoProp+Na+H"	84.054008
"1000732"	208.087526	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+2ACN+2H"	84.067652
"1588797"	417.076028	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+K+HCOOH"	84.968628
"1416525"	447.107538	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+H+CF3COOH"	115.000138
"1150458"	228.600801	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+3ACN+2H"	125.094202
"1704018"	464.134085	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+NH4+CF3COOH"	132.026685
"1637482"	469.08948	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+Na+CF3COOH"	136.98208
"1581883"	485.06342	"C02087"	"Tos-Arg-CH2Cl"	"C13H21ClN4O2S"	"332.1074"	"M+K+CF3COOH"	152.95602
"816263"	351.0696	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M"	0
"989637"	332.05121	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-H2O-H"	-19.01839
"77921"	233.039124	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M-3H"	-3.021828
"517610"	350.062324	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M-3H"	-3.021828
"894923"	116.015924	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-3H"	-3.021828
"15082"	350.062324	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M-2H"	-2.014552
"455129"	525.597124	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M-2H"	-2.014552
"829156"	174.527524	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-2H"	-2.014552
"88417"	701.131924	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M-H"	-1.007276
"531623"	1052.201524	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M-H"	-1.007276
"910770"	350.062324	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-H"	-1.007276
"61254"	718.158471	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M-2H+NH4"	16.019271
"502282"	1069.228071	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M-2H+NH4"	16.019271
"879349"	367.088871	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-2H+NH4"	16.019271
"46644"	723.113866	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M-2H+Na"	20.974666
"486325"	1074.183466	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M-2H+Na"	20.974666
"863766"	372.044266	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-2H+Na"	20.974666
"1633747"	372.044266	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Na-2H"	20.974666
"109579"	368.050663	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M-H+Cl"	33.962126
"548287"	543.585463	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M-H+Cl"	33.962126
"940585"	192.515863	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-H+Cl"	33.962126
"277197"	737.108602	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+Cl"	34.969402
"666703"	1088.178202	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+Cl"	34.969402
"1282020"	386.039002	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Cl"	34.969402
"22389"	739.087806	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M-2H+K"	36.948606
"466320"	1090.157406	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M-2H+K"	36.948606
"844122"	388.018206	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-2H+K"	36.948606
"1560687"	388.018206	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+K-2H"	36.948606
"952213"	396.067794	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-H+HCOOH"	44.998194
"368607"	747.137401	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+HCOOH-H"	44.998201
"352128"	761.153051	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+Hac-H"	59.013851
"1502056"	410.083451	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Hac-H"	59.013851
"970328"	418.049751	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-H+NaCOOH"	66.980151
"121787"	386.039002	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+2Cl"	69.938804
"560982"	561.573802	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+2Cl"	69.938804
"1033429"	210.504202	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2Cl"	69.938804
"1249726"	429.988485	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Br"	78.918885
"1316916"	432.044472	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Cl+HCOOH"	80.974872
"1325302"	454.026429	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Cl+NaCOOH"	102.956829
"916723"	464.055186	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M-H+CF3COOH"	112.985586
"1291248"	500.031864	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Cl+CF3COOH"	148.962264
"1371229"	316.056924	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H-2H2O"	-35.012676
"1386540"	334.0669	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H-H2O"	-17.0027
"285860"	703.146476	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+H"	1.007276
"679744"	1054.216076	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+H"	1.007276
"1355000"	352.076876	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H"	1.007276
"133357"	352.076876	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+2H"	2.014552
"574013"	527.611676	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+2H"	2.014552
"1046093"	176.542076	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2H"	2.014552
"209621"	235.053676	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+3H"	3.021828
"646627"	352.076876	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+3H"	3.021828
"1164022"	118.030476	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+3H"	3.021828
"428393"	720.173023	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+NH4"	18.033823
"787924"	1071.242623	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+NH4"	18.033823
"1683162"	369.103423	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+NH4"	18.033823
"332899"	360.5901495	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+H+NH4"	19.041099
"724593"	536.1249495	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+H+NH4"	19.041099
"1481699"	185.0553495	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H+NH4"	19.041099
"406581"	725.128418	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+Na"	22.989218
"765386"	1076.198018	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+Na"	22.989218
"1611298"	374.058818	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Na"	22.989218
"325345"	363.067847	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+H+Na"	23.996494
"721053"	538.602647	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+H+Na"	23.996494
"1470863"	187.533047	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H+Na"	23.996494
"1060826"	125.35779	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2H+Na"	25.00377
"1269064"	384.103086	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+CH3OH+H"	33.033486
"389824"	741.102358	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+K"	38.963158
"751186"	1092.171958	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+K"	38.963158
"1551419"	390.032758	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+K"	38.963158
"311144"	371.054817	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+H+K"	39.970434
"703566"	546.589617	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+H+K"	39.970434
"1457386"	195.520017	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H+K"	39.970434
"236878"	744.173026	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+ACN+H"	42.033826
"1211771"	393.103426	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+ACN+H"	42.033826
"1195046"	197.055351	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+ACN+2H"	43.041102
"189492"	747.11036	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+2Na-H"	44.97116
"629050"	1098.17996	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+2Na-H"	44.97116
"1131875"	396.04076	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2Na-H"	44.97116
"178536"	374.058818	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+2Na"	45.978436
"621379"	549.593618	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+2Na"	45.978436
"1129630"	198.524018	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2Na"	45.978436
"1412421"	132.685104	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H+2Na"	46.985712
"1443448"	398.082346	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H+HCOOH"	47.012746
"233508"	379.09184	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+3H2O+2H"	56.04448
"1518284"	412.13439	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+IsoProp+H"	61.06479
"420157"	382.045788	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+Na+K"	61.952376
"776780"	557.580588	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+Na+K"	61.952376
"1672019"	206.510988	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Na+K"	61.952376
"261817"	766.154968	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+ACN+Na"	64.015768
"1237445"	415.085368	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+ACN+Na"	64.015768
"1723054"	415.108893	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+NH4+HCOOH"	64.039293
"1189860"	140.012418	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+3Na"	68.967654
"1654287"	420.064288	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Na+HCOOH"	68.994688
"162242"	779.05824	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+2K-H"	76.91904
"601804"	1130.12784	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+2K-H"	76.91904
"1091784"	427.98864	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2K-H"	76.91904
"146412"	390.032758	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"2M+2K"	77.926316
"582446"	565.567558	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"3M+2K"	77.926316
"1069147"	214.497958	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2K"	77.926316
"1101022"	430.003192	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2K+H"	78.933592
"1341178"	430.090807	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+DMSO+H"	79.021207
"1012628"	434.129976	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2ACN+H"	83.060376
"1532575"	435.123608	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+IsoProp+Na+H"	84.054008
"992096"	217.568626	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+2ACN+2H"	84.067652
"1590973"	436.038228	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+K+HCOOH"	84.968628
"1416635"	466.069738	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+H+CF3COOH"	115.000138
"1152392"	238.081901	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+3ACN+2H"	125.094202
"1703034"	483.096285	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+NH4+CF3COOH"	132.026685
"1637591"	488.05168	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+Na+CF3COOH"	136.98208
"1581993"	504.02562	"C02088"	"Tos-Phe-CH2Cl;TPCK;N-Tosyl-L-phenylalanyl chloromethyl ketone"	"C17H18ClNO3S"	"351.0696"	"M+K+CF3COOH"	152.95602
"809082"	723.3044	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M"	0
"981521"	704.28601	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-H2O-H"	-19.01839
"76330"	481.195657333333	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M-3H"	-3.021828
"517592"	722.297124	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M-3H"	-3.021828
"894421"	240.094190666667	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-3H"	-3.021828
"13726"	722.297124	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M-2H"	-2.014552
"453651"	1083.949324	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M-2H"	-2.014552
"827440"	360.644924	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-2H"	-2.014552
"91807"	1445.601524	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M-H"	-1.007276
"532461"	2168.905924	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M-H"	-1.007276
"909914"	722.297124	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-H"	-1.007276
"61852"	1462.628071	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M-2H+NH4"	16.019271
"502391"	2185.932471	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M-2H+NH4"	16.019271
"878735"	739.323671	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-2H+NH4"	16.019271
"46023"	1467.583466	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M-2H+Na"	20.974666
"486074"	2190.887866	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M-2H+Na"	20.974666
"863633"	744.279066	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-2H+Na"	20.974666
"1633531"	744.279066	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Na-2H"	20.974666
"108598"	740.285463	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M-H+Cl"	33.962126
"546330"	1101.937663	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M-H+Cl"	33.962126
"938751"	378.633263	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-H+Cl"	33.962126
"280467"	1481.578202	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+Cl"	34.969402
"666450"	2204.882602	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+Cl"	34.969402
"1280672"	758.273802	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Cl"	34.969402
"21770"	1483.557406	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M-2H+K"	36.948606
"463879"	2206.861806	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M-2H+K"	36.948606
"844234"	760.253006	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-2H+K"	36.948606
"1562259"	760.253006	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+K-2H"	36.948606
"949046"	768.302594	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-H+HCOOH"	44.998194
"366169"	1491.607001	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+HCOOH-H"	44.998201
"352238"	1505.622651	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+Hac-H"	59.013851
"1506907"	782.318251	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Hac-H"	59.013851
"970438"	790.284551	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-H+NaCOOH"	66.980151
"122261"	758.273802	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+2Cl"	69.938804
"560362"	1119.926002	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+2Cl"	69.938804
"1033539"	396.621602	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2Cl"	69.938804
"1254213"	802.223285	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Br"	78.918885
"1314475"	804.279272	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Cl+HCOOH"	80.974872
"1326504"	826.261229	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Cl+NaCOOH"	102.956829
"917926"	836.289986	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M-H+CF3COOH"	112.985586
"1294274"	872.266664	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Cl+CF3COOH"	148.962264
"1370611"	688.291724	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H-2H2O"	-35.012676
"1387743"	706.3017	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H-H2O"	-17.0027
"287431"	1447.616076	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+H"	1.007276
"680948"	2170.920476	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+H"	1.007276
"1359484"	724.311676	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H"	1.007276
"135654"	724.311676	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+2H"	2.014552
"567562"	1085.963876	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+2H"	2.014552
"1048390"	362.659476	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2H"	2.014552
"209002"	483.210209333333	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+3H"	3.021828
"646373"	724.311676	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+3H"	3.021828
"1166687"	242.108742666667	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+3H"	3.021828
"425945"	1464.642623	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+NH4"	18.033823
"787306"	2187.947023	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+NH4"	18.033823
"1682300"	741.338223	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+NH4"	18.033823
"330578"	732.8249495	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+H+NH4"	19.041099
"725189"	1094.4771495	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+H+NH4"	19.041099
"1489104"	371.1727495	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H+NH4"	19.041099
"402318"	1469.598018	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+Na"	22.989218
"764403"	2192.902418	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+Na"	22.989218
"1611408"	746.293618	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Na"	22.989218
"323638"	735.302647	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+H+Na"	23.996494
"720075"	1096.954847	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+H+Na"	23.996494
"1473161"	373.650447	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H+Na"	23.996494
"1062032"	249.436056666667	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2H+Na"	25.00377
"1263707"	756.337886	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+CH3OH+H"	33.033486
"385563"	1485.571958	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+K"	38.963158
"746558"	2208.876358	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+K"	38.963158
"1547521"	762.267558	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+K"	38.963158
"307973"	743.289617	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+H+K"	39.970434
"699302"	1104.941817	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+H+K"	39.970434
"1453124"	381.637417	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H+K"	39.970434
"240267"	1488.642626	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+ACN+H"	42.033826
"1210906"	765.338226	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+ACN+H"	42.033826
"1194666"	383.172751	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+ACN+2H"	43.041102
"188654"	1491.57996	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+2Na-H"	44.97116
"628836"	2214.88436	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+2Na-H"	44.97116
"1132797"	768.27556	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2Na-H"	44.97116
"181927"	746.293618	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+2Na"	45.978436
"622581"	1107.945818	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+2Na"	45.978436
"1129375"	384.641418	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2Na"	45.978436
"1412774"	256.763370666667	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H+2Na"	46.985712
"1445263"	770.317146	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H+HCOOH"	47.012746
"234347"	751.32664	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+3H2O+2H"	56.04448
"1521674"	784.36919	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+IsoProp+H"	61.06479
"422458"	754.280588	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+Na+K"	61.952376
"775797"	1115.932788	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+Na+K"	61.952376
"1672130"	392.628388	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Na+K"	61.952376
"260835"	1510.624568	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+ACN+Na"	64.015768
"1237192"	787.320168	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+ACN+Na"	64.015768
"1723530"	787.343693	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+NH4+HCOOH"	64.039293
"1187784"	264.090684666667	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+3Na"	68.967654
"1659866"	792.299088	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Na+HCOOH"	68.994688
"164540"	1523.52784	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+2K-H"	76.91904
"604100"	2246.83224	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+2K-H"	76.91904
"1094080"	800.22344	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2K-H"	76.91904
"146523"	762.267558	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"2M+2K"	77.926316
"583897"	1123.919758	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"3M+2K"	77.926316
"1071690"	400.615358	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2K"	77.926316
"1103812"	802.237992	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2K+H"	78.933592
"1336671"	802.325607	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+DMSO+H"	79.021207
"1012007"	806.364776	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2ACN+H"	83.060376
"1531224"	807.358408	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+IsoProp+Na+H"	84.054008
"996580"	403.686026	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+2ACN+2H"	84.067652
"1592178"	808.273028	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+K+HCOOH"	84.968628
"1417838"	838.304538	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+H+CF3COOH"	115.000138
"1153593"	424.199301	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+3ACN+2H"	125.094202
"1703144"	855.331085	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+NH4+CF3COOH"	132.026685
"1636972"	860.28648	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+Na+CF3COOH"	136.98208
"1575543"	876.26042	"C02090"	"Trypanothione;N1N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;N1N8-Bis(glutathionyl)spermidine;Reduced trypanothione"	"C27H49N9O10S2"	"723.3044"	"M+K+CF3COOH"	152.95602
"809191"	133.0487	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M"	0
"981630"	114.03031	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-H2O-H"	-19.01839
"78259"	87.6918573333333	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M-3H"	-3.021828
"511625"	132.041424	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M-3H"	-3.021828
"892707"	43.3422906666667	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-3H"	-3.021828
"8001"	132.041424	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M-2H"	-2.014552
"448655"	198.565774	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M-2H"	-2.014552
"826457"	65.517074	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-2H"	-2.014552
"90823"	265.090124	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M-H"	-1.007276
"534223"	398.138824	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M-H"	-1.007276
"911314"	132.041424	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-H"	-1.007276
"61716"	282.116671	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M-2H+NH4"	16.019271
"502535"	415.165371	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M-2H+NH4"	16.019271
"879733"	149.067971	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-2H+NH4"	16.019271
"46620"	287.072066	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M-2H+Na"	20.974666
"486708"	420.120766	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M-2H+Na"	20.974666
"863824"	154.023366	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-2H+Na"	20.974666
"1633957"	154.023366	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Na-2H"	20.974666
"109189"	150.029763	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M-H+Cl"	33.962126
"548627"	216.554113	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M-H+Cl"	33.962126
"941413"	83.505413	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-H+Cl"	33.962126
"282747"	301.066802	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+Cl"	34.969402
"669838"	434.115502	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+Cl"	34.969402
"1280053"	168.018102	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Cl"	34.969402
"22608"	303.046006	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M-2H+K"	36.948606
"463261"	436.094706	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M-2H+K"	36.948606
"838875"	169.997306	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-2H+K"	36.948606
"1563457"	169.997306	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+K-2H"	36.948606
"949151"	178.046894	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-H+HCOOH"	44.998194
"368462"	311.095601	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+HCOOH-H"	44.998201
"352349"	325.111251	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+Hac-H"	59.013851
"1501180"	192.062551	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Hac-H"	59.013851
"965442"	200.028851	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-H+NaCOOH"	66.980151
"114351"	168.018102	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+2Cl"	69.938804
"553182"	234.542452	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+2Cl"	69.938804
"1028178"	101.493752	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2Cl"	69.938804
"1254687"	211.967585	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Br"	78.918885
"1309116"	214.023572	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Cl+HCOOH"	80.974872
"1325521"	236.005529	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Cl+NaCOOH"	102.956829
"914389"	246.034286	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M-H+CF3COOH"	112.985586
"1292194"	282.010964	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Cl+CF3COOH"	148.962264
"1370356"	98.036024	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H-2H2O"	-35.012676
"1393319"	116.046	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H-H2O"	-17.0027
"287543"	267.104676	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+H"	1.007276
"679965"	400.153376	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+H"	1.007276
"1353397"	134.055976	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H"	1.007276
"125891"	134.055976	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+2H"	2.014552
"577511"	200.580326	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+2H"	2.014552
"1048499"	67.531626	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2H"	2.014552
"213117"	89.7064093333333	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+3H"	3.021828
"647575"	134.055976	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+3H"	3.021828
"1168615"	45.3568426666667	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+3H"	3.021828
"426418"	284.131223	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+NH4"	18.033823
"788872"	417.179923	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+NH4"	18.033823
"1681470"	151.082523	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+NH4"	18.033823
"330074"	142.5692495	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+H+NH4"	19.041099
"724810"	209.0935995	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+H+NH4"	19.041099
"1492254"	76.0448995	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H+NH4"	19.041099
"407896"	289.086618	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+Na"	22.989218
"765611"	422.135318	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+Na"	22.989218
"1611519"	156.037918	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Na"	22.989218
"322655"	145.046947	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+H+Na"	23.996494
"720550"	211.571297	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+H+Na"	23.996494
"1473271"	78.522597	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H+Na"	23.996494
"1061049"	52.6841566666667	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2H+Na"	25.00377
"1263820"	166.082186	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+CH3OH+H"	33.033486
"386765"	305.060558	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+K"	38.963158
"748857"	438.109258	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+K"	38.963158
"1547631"	172.011858	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+K"	38.963158
"308084"	153.033917	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+H+K"	39.970434
"702694"	219.558267	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+H+K"	39.970434
"1453233"	86.509567	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H+K"	39.970434
"241836"	308.131226	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+ACN+H"	42.033826
"1209957"	175.082526	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+ACN+H"	42.033826
"1197332"	88.044901	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+ACN+2H"	43.041102
"189594"	311.06856	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+2Na-H"	44.97116
"629275"	444.11726	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+2Na-H"	44.97116
"1134366"	178.01986	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2Na-H"	44.97116
"182037"	156.037918	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+2Na"	45.978436
"625973"	222.562268	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+2Na"	45.978436
"1130456"	89.513568	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2Na"	45.978436
"1411909"	60.0114706666667	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H+2Na"	46.985712
"1444641"	180.061446	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H+HCOOH"	47.012746
"234454"	161.07094	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+3H2O+2H"	56.04448
"1522882"	194.11349	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+IsoProp+H"	61.06479
"421474"	164.024888	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+Na+K"	61.952376
"776273"	230.549238	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+Na+K"	61.952376
"1676614"	97.500538	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Na+K"	61.952376
"262039"	330.113168	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+ACN+Na"	64.015768
"1238758"	197.064468	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+ACN+Na"	64.015768
"1724368"	197.087993	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+NH4+HCOOH"	64.039293
"1190085"	67.3387846666667	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+3Na"	68.967654
"1662164"	202.043388	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Na+HCOOH"	68.994688
"169022"	343.01644	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+2K-H"	76.91904
"604210"	476.06514	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+2K-H"	76.91904
"1095283"	209.96774	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2K-H"	76.91904
"146633"	172.011858	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"2M+2K"	77.926316
"587288"	238.536208	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"3M+2K"	77.926316
"1071800"	105.487508	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2K"	77.926316
"1107202"	211.982292	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2K+H"	78.933592
"1340308"	212.069907	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+DMSO+H"	79.021207
"1019047"	216.109076	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2ACN+H"	83.060376
"1535712"	217.102708	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+IsoProp+Na+H"	84.054008
"999973"	108.558176	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+2ACN+2H"	84.067652
"1601768"	218.017328	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+K+HCOOH"	84.968628
"1424510"	248.048838	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+H+CF3COOH"	115.000138
"1159171"	129.071451	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+3ACN+2H"	125.094202
"1704349"	265.075385	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+NH4+CF3COOH"	132.026685
"1639999"	270.03078	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+Na+CF3COOH"	136.98208
"1575653"	286.00472	"C02091"	"(S)-Ureidoglycine"	"C3H7N3O3"	"133.0487"	"M+K+CF3COOH"	152.95602
"801486"	536.4382	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M"	0
"976272"	517.41981	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"78009"	356.618190666667	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"511735"	535.430924	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"892817"	177.805457333333	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"8111"	535.430924	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"448765"	803.650024	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"826567"	267.211824	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"90933"	1071.869124	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"534144"	1608.307324	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"911260"	535.430924	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"62069"	1088.895671	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"502522"	1625.333871	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"879517"	552.457471	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"46771"	1093.851066	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"487008"	1630.289266	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"863977"	557.412866	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1633991"	557.412866	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"104801"	553.419263	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"548372"	821.638363	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"939336"	285.200163	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"282640"	1107.845802	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"667761"	1644.284002	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1276882"	571.407602	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"19438"	1109.825006	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"458997"	1646.263206	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"837892"	573.386806	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1560286"	573.386806	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"945981"	581.436394	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"365292"	1117.874601	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"353550"	1131.890251	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1501290"	595.452051	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"965551"	603.418351	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"116646"	571.407602	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"552926"	839.626702	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1023547"	303.188502	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1253339"	615.357085	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1310321"	617.413072	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1326725"	639.395029	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"915594"	649.423786	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1292304"	685.400464	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1372653"	501.425524	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1393430"	519.4355	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"289840"	1073.883676	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"684448"	1610.321876	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1355330"	537.445476	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H"	1.007276
"127488"	537.445476	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"579808"	805.664576	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1046420"	269.226376	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"215414"	358.632742666667	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"651694"	537.445476	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1169819"	179.820009333333	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"426893"	1090.910223	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"787889"	1627.348423	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1682760"	554.472023	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"330427"	545.9587495	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"725649"	814.1778495	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1479840"	277.7396495	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"405820"	1095.865618	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"764624"	1632.303818	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1611629"	559.427418	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"323858"	548.436447	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"722115"	816.655547	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1473381"	280.217347	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1061159"	187.147323333333	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1268303"	569.471686	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"386875"	1111.839558	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"750060"	1648.277758	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1547741"	575.401358	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+K"	38.963158
"308194"	556.423417	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"701710"	824.642517	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1453343"	288.204317	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"239761"	1114.910226	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1209980"	578.472026	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1198536"	289.739651	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"189462"	1117.84756	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"628856"	1654.28576	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1131918"	581.40936	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"173095"	559.427418	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"617329"	827.646518	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1130890"	291.208318	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1412019"	194.474637333333	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1445496"	583.450946	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"235294"	564.46044	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1523113"	597.50299	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"422919"	567.414388	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"779298"	835.633488	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1678909"	299.195288	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"264335"	1136.892168	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1237046"	600.453968	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1722652"	600.477493	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1189465"	201.801951333333	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1661910"	605.432888	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"168039"	1149.79544	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"609059"	1686.23364	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1095029"	613.35724	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"146743"	575.401358	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"590678"	843.620458	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1070816"	307.182258	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1107312"	615.371792	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1340418"	615.459407	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1020008"	619.498576	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1538008"	620.492208	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"1000083"	310.252926	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1600054"	621.406828	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1424620"	651.438338	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1159281"	330.766201	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1703366"	668.464885	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1639016"	673.42028	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1575763"	689.39422	"C02094"	"beta-Carotene;all-trans-beta-Carotene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"802850"	164.0685	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M"	0
"976382"	145.05011	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"77994"	108.371724	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"512938"	163.061224	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"890739"	53.682224	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"14055"	163.061224	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"452156"	245.095474	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"828501"	81.026974	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"93964"	327.129724	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"533773"	491.198224	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"910847"	163.061224	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"62306"	344.156271	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"501744"	508.224771	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"879668"	180.087771	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"45747"	349.111666	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"486522"	513.180166	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"863596"	185.043166	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1633493"	185.043166	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"108803"	181.049563	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"547753"	263.083813	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"939446"	99.015313	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"276543"	363.106402	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"666776"	527.174902	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1277356"	199.037902	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"21734"	365.085606	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"461293"	529.154106	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"839095"	201.017106	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1560396"	201.017106	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"949371"	209.066694	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"366495"	373.135201	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"350379"	387.150851	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1503587"	223.082351	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"971127"	231.048651	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"120766"	199.037902	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"554131"	281.072152	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1025481"	117.003652	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1247980"	242.987385	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1315535"	245.043372	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1330482"	267.025329	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"915705"	277.054086	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1294601"	313.030764	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1377137"	129.055824	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1393540"	147.0658	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"289951"	329.144276	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"681278"	493.212776	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1353618"	165.075776	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"131610"	165.075776	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"577732"	247.110026	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1049812"	83.041526	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"210422"	110.386276	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"649617"	165.075776	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1172115"	55.696776	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"428827"	346.170823	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"789821"	510.239323	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1681893"	182.102323	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"330905"	173.5890495	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"725030"	255.6232995	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1482137"	91.5547995	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"404836"	351.126218	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"764734"	515.194718	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1613926"	187.057718	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"320688"	176.066747	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"720402"	258.100997	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1473127"	94.032497	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1061269"	63.02409	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1268413"	197.101986	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"385894"	367.100158	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"746890"	531.168658	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1550037"	203.031658	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"310495"	184.053717	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"702917"	266.087967	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1455640"	102.019467	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"242057"	370.170826	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1209990"	206.102326	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1198282"	103.554801	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"191517"	373.10816	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"628762"	537.17666	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1131990"	209.03966	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"173089"	187.057718	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"615250"	269.091968	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1126416"	105.023468	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1412374"	70.351404	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1444863"	211.081246	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"232488"	192.09074	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1520551"	225.13329	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"420598"	195.044688	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"776129"	277.078938	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1673553"	113.010438	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"258978"	392.152768	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1233875"	228.084268	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1719482"	228.107793	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1187750"	77.678718	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1659468"	233.063188	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"166692"	405.05604	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"604066"	569.12454	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1091859"	240.98754	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"144664"	203.031658	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"584225"	285.065908	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1069830"	120.997408	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1107422"	243.002092	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1340528"	243.089707	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1020482"	247.128876	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1538728"	248.122508	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1004568"	124.068076	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1601259"	249.037128	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1424730"	279.068638	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1159391"	144.581351	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1703476"	296.095185	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1639126"	301.05058	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1575873"	317.02452	"C02095"	"beta-D-Fucose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"802958"	150.0528	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M"	0
"985241"	131.03441	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"75673"	99.027924	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"516326"	149.045524	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"888660"	49.010324	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"10518"	149.045524	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"454944"	224.071924	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"826788"	74.019124	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"93344"	299.098324	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"532538"	449.151124	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"911204"	149.045524	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"62624"	316.124871	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"501972"	466.177671	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"878319"	166.072071	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"45977"	321.080266	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"486146"	471.133066	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"863464"	171.027466	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1633604"	171.027466	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"109032"	167.033863	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"548233"	242.060263	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"939191"	92.007463	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"276653"	335.075002	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"666886"	485.127802	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1278196"	185.022202	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"18563"	337.054206	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"461404"	487.107006	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"837382"	187.001406	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1558683"	187.001406	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"945837"	195.050994	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"366605"	345.103801	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"351582"	359.119451	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1500413"	209.066651	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"969778"	217.032951	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"119781"	185.022202	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"555334"	260.048602	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1025591"	109.995802	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1243716"	228.971685	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1312729"	231.027672	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1322936"	253.009629	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"912898"	263.038386	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1289244"	299.015064	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1371780"	115.040124	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1393648"	133.0501	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"290061"	301.112876	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"681388"	451.165676	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1354456"	151.060076	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"131720"	151.060076	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"577842"	226.086476	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1051015"	76.033676	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"210167"	101.042476	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"648998"	151.060076	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1167122"	51.024876	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"430031"	318.139423	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"791026"	468.192223	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1681519"	168.086623	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"331259"	159.5733495	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"726233"	234.5997495	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1482248"	84.5469495	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"407377"	323.094818	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"768372"	473.147618	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1616224"	173.042018	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"322984"	162.051047	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"719783"	237.077447	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1472144"	87.024647	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1065023"	58.35219	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1269616"	183.086286	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"387097"	339.068758	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"750279"	489.121558	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1549053"	189.015958	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"310240"	170.038017	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"703756"	245.064417	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1455750"	95.011617	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"245447"	342.139426	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1212321"	192.086626	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1198392"	96.546951	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"191628"	345.07676	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"628955"	495.12956	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1132383"	195.02396	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"173731"	173.042018	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"613413"	248.068418	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1126526"	98.015618	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1412487"	65.679504	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1444969"	197.065546	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"231868"	178.07504	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1521755"	211.11759	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"421438"	181.028988	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"776600"	256.055388	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1674756"	106.002588	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"258721"	364.121368	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1236171"	214.068568	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1721777"	214.092093	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1190051"	73.006818	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1658848"	219.047488	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"164979"	377.02464	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"604176"	527.07744	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1092333"	226.97184	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"144044"	189.015958	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"588710"	264.042358	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1072129"	113.989558	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1107532"	228.986392	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1343918"	229.074007	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1021205"	233.113176	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1536043"	234.106808	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"1004436"	117.060226	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1602099"	235.021428	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1424840"	265.052938	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1159501"	137.573501	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1710145"	282.079485	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1639236"	287.03488	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1572702"	303.00882	"C02096"	"beta-D-Xylose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"801539"	564.0758	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M"	0
"979883"	545.05741	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-H2O-H"	-19.01839
"74690"	375.043257333333	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M-3H"	-3.021828
"513156"	563.068524	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M-3H"	-3.021828
"887677"	187.017990666667	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-3H"	-3.021828
"10628"	563.068524	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M-2H"	-2.014552
"453957"	845.106424	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M-2H"	-2.014552
"826898"	281.030624	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-2H"	-2.014552
"92844"	1127.144324	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M-H"	-1.007276
"532769"	1691.220124	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M-H"	-1.007276
"911066"	563.068524	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-H"	-1.007276
"62492"	1144.170871	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M-2H+NH4"	16.019271
"502204"	1708.246671	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M-2H+NH4"	16.019271
"879400"	580.095071	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-2H+NH4"	16.019271
"46571"	1149.126266	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M-2H+Na"	20.974666
"486374"	1713.202066	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M-2H+Na"	20.974666
"863656"	585.050466	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-2H+Na"	20.974666
"1633589"	585.050466	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Na-2H"	20.974666
"107318"	581.056863	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M-H+Cl"	33.962126
"549596"	863.094763	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M-H+Cl"	33.962126
"938208"	299.018963	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-H+Cl"	33.962126
"273484"	1163.121002	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+Cl"	34.969402
"665903"	1727.196802	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+Cl"	34.969402
"1277210"	599.045202	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Cl"	34.969402
"20858"	1165.100206	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M-2H+K"	36.948606
"461511"	1729.176006	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M-2H+K"	36.948606
"837492"	601.024406	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-2H+K"	36.948606
"1559522"	601.024406	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+K-2H"	36.948606
"947405"	609.073994	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-H+HCOOH"	44.998194
"364527"	1173.149801	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+HCOOH-H"	44.998201
"349502"	1187.165451	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+Hac-H"	59.013851
"1497606"	623.089651	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Hac-H"	59.013851
"969158"	631.055951	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-H+NaCOOH"	66.980151
"122078"	599.045202	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+2Cl"	69.938804
"556537"	881.083102	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+2Cl"	69.938804
"1024245"	317.007302	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2Cl"	69.938804
"1242238"	642.994685	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Br"	78.918885
"1309559"	645.050672	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Cl+HCOOH"	80.974872
"1325962"	667.032629	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Cl+NaCOOH"	102.956829
"913738"	677.061386	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M-H+CF3COOH"	112.985586
"1288703"	713.038064	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Cl+CF3COOH"	148.962264
"1371890"	529.063124	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H-2H2O"	-35.012676
"1392665"	547.0731	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H-H2O"	-17.0027
"290170"	1129.158876	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+H"	1.007276
"681498"	1693.234676	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+H"	1.007276
"1354202"	565.083076	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H"	1.007276
"130007"	565.083076	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+2H"	2.014552
"575765"	847.120976	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+2H"	2.014552
"1048939"	283.045176	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2H"	2.014552
"208091"	377.057809333333	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+3H"	3.021828
"646921"	565.083076	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+3H"	3.021828
"1166867"	189.032542666667	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+3H"	3.021828
"426860"	1146.185423	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+NH4"	18.033823
"787248"	1710.261223	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+NH4"	18.033823
"1681755"	582.109623	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+NH4"	18.033823
"331007"	573.5963495	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+H+NH4"	19.041099
"723667"	855.6342495	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+H+NH4"	19.041099
"1481994"	291.5584495	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H+NH4"	19.041099
"405786"	1151.140818	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+Na"	22.989218
"767145"	1715.216618	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+Na"	22.989218
"1615241"	587.065018	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Na"	22.989218
"324190"	576.074047	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+H+Na"	23.996494
"718798"	858.111947	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+H+Na"	23.996494
"1469337"	294.036147	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H+Na"	23.996494
"1062580"	196.359856666667	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2H+Na"	25.00377
"1264259"	597.109286	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+CH3OH+H"	33.033486
"387938"	1167.114758	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+K"	38.963158
"751121"	1731.190558	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+K"	38.963158
"1551350"	603.038958	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+K"	38.963158
"310350"	584.061017	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+H+K"	39.970434
"704595"	866.098917	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+H+K"	39.970434
"1451489"	302.023117	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H+K"	39.970434
"236444"	1170.185426	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+ACN+H"	42.033826
"1212432"	606.109626	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+ACN+H"	42.033826
"1202148"	303.558451	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+ACN+2H"	43.041102
"189306"	1173.12276	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+2Na-H"	44.97116
"629472"	1737.19856	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+2Na-H"	44.97116
"1132367"	609.04696	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2Na-H"	44.97116
"173476"	587.065018	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+2Na"	45.978436
"614859"	869.102918	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+2Na"	45.978436
"1126636"	305.027118	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2Na"	45.978436
"1412594"	203.687170666667	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H+2Na"	46.985712
"1445080"	611.088546	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H+HCOOH"	47.012746
"233802"	592.09804	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+3H2O+2H"	56.04448
"1521865"	625.14059	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+IsoProp+H"	61.06479
"417540"	595.051988	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+Na+K"	61.952376
"780720"	877.089888	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+Na+K"	61.952376
"1677051"	313.014088	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Na+K"	61.952376
"258104"	1192.167368	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+ACN+Na"	64.015768
"1234094"	628.091568	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+ACN+Na"	64.015768
"1721889"	628.115093	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+NH4+HCOOH"	64.039293
"1190160"	211.014484666667	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+3Na"	68.967654
"1660416"	633.070488	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Na+HCOOH"	68.994688
"167277"	1205.07064	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+2K-H"	76.91904
"601734"	1769.14644	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+2K-H"	76.91904
"1092079"	640.99484	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2K-H"	76.91904
"147071"	603.038958	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"2M+2K"	77.926316
"587727"	885.076858	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"3M+2K"	77.926316
"1068705"	321.001058	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2K"	77.926316
"1110557"	643.009392	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2K+H"	78.933592
"1347307"	643.097007	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+DMSO+H"	79.021207
"1016935"	647.136176	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2ACN+H"	83.060376
"1533967"	648.129808	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+IsoProp+Na+H"	84.054008
"1002603"	324.071726	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+2ACN+2H"	84.067652
"1602211"	649.044428	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+K+HCOOH"	84.968628
"1427137"	679.075938	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+H+CF3COOH"	115.000138
"1157424"	344.585001	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+3ACN+2H"	125.094202
"1708068"	696.102485	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+NH4+CF3COOH"	132.026685
"1640439"	701.05788	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+Na+CF3COOH"	136.98208
"1572812"	717.03182	"C02097"	"dTDP-galactose;dTDP-D-galactose"	"C16H26N2O16P2"	"564.0758"	"M+K+CF3COOH"	152.95602
"803180"	224.0837	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M"	0
"983273"	205.06531	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-H2O-H"	-19.01839
"69332"	148.381857333333	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M-3H"	-3.021828
"509986"	223.076424	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M-3H"	-3.021828
"887787"	73.6872906666667	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-3H"	-3.021828
"11830"	223.076424	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M-2H"	-2.014552
"451393"	335.118274	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M-2H"	-2.014552
"832118"	111.034574	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-2H"	-2.014552
"88092"	447.160124	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M-H"	-1.007276
"530934"	671.243824	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M-H"	-1.007276
"911265"	223.076424	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-H"	-1.007276
"62385"	464.186671	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M-2H+NH4"	16.019271
"502312"	688.270371	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M-2H+NH4"	16.019271
"879586"	240.102971	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-2H+NH4"	16.019271
"46679"	469.142066	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M-2H+Na"	20.974666
"487022"	693.225766	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M-2H+Na"	20.974666
"863066"	245.058366	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-2H+Na"	20.974666
"1631990"	245.058366	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Na-2H"	20.974666
"106334"	241.064763	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M-H+Cl"	33.962126
"549663"	353.106613	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M-H+Cl"	33.962126
"940504"	129.022913	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-H+Cl"	33.962126
"273592"	483.136802	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+Cl"	34.969402
"664919"	707.220502	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+Cl"	34.969402
"1276591"	259.053102	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Cl"	34.969402
"19875"	485.116006	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M-2H+K"	36.948606
"460891"	709.199706	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M-2H+K"	36.948606
"837237"	261.032306	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-2H+K"	36.948606
"1559632"	261.032306	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+K-2H"	36.948606
"946421"	269.081894	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-H+HCOOH"	44.998194
"364272"	493.165601	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+HCOOH-H"	44.998201
"349978"	507.181251	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+Hac-H"	59.013851
"1498446"	283.097551	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Hac-H"	59.013851
"971091"	291.063851	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-H+NaCOOH"	66.980151
"122553"	259.053102	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+2Cl"	69.938804
"556647"	371.094952	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+2Cl"	69.938804
"1024355"	147.011252	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2Cl"	69.938804
"1242226"	303.002585	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Br"	78.918885
"1309669"	305.058572	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Cl+HCOOH"	80.974872
"1326072"	327.040529	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Cl+NaCOOH"	102.956829
"912026"	337.069286	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M-H+CF3COOH"	112.985586
"1289296"	373.045964	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Cl+CF3COOH"	148.962264
"1372000"	189.071024	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H-2H2O"	-35.012676
"1388401"	207.081	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H-H2O"	-17.0027
"288093"	449.174676	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+H"	1.007276
"680515"	673.258376	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+H"	1.007276
"1355041"	225.090976	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H"	1.007276
"129024"	225.090976	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+2H"	2.014552
"572595"	337.132826	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+2H"	2.014552
"1042487"	113.049126	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2H"	2.014552
"207835"	150.396409333333	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+3H"	3.021828
"645938"	225.090976	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+3H"	3.021828
"1166248"	75.7018426666667	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+3H"	3.021828
"426241"	466.201223	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+NH4"	18.033823
"786750"	690.284923	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+NH4"	18.033823
"1681371"	242.117523	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+NH4"	18.033823
"331238"	233.6042495	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+H+NH4"	19.041099
"723213"	345.6460995	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+H+NH4"	19.041099
"1483197"	121.5623995	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H+NH4"	19.041099
"405532"	471.156618	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+Na"	22.989218
"767255"	695.240318	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+Na"	22.989218
"1613165"	247.072918	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Na"	22.989218
"326487"	236.081947	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+H+Na"	23.996494
"721956"	348.123797	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+H+Na"	23.996494
"1476548"	124.040097	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H+Na"	23.996494
"1065978"	83.0291566666667	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2H+Na"	25.00377
"1269113"	257.117186	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+CH3OH+H"	33.033486
"389511"	487.130558	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+K"	38.963158
"751962"	711.214258	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+K"	38.963158
"1551096"	263.046858	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+K"	38.963158
"310460"	244.068917	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+H+K"	39.970434
"705798"	356.110767	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+H+K"	39.970434
"1454879"	132.027067	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H+K"	39.970434
"240199"	490.201226	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+ACN+H"	42.033826
"1216187"	266.117526	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+ACN+H"	42.033826
"1195328"	133.562401	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+ACN+2H"	43.041102
"189292"	493.13856	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+2Na-H"	44.97116
"630188"	717.22226	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+2Na-H"	44.97116
"1133085"	269.05486	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2Na-H"	44.97116
"174070"	247.072918	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+2Na"	45.978436
"614726"	359.114768	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+2Na"	45.978436
"1127839"	135.031068	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2Na"	45.978436
"1412704"	90.3564706666667	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H+2Na"	46.985712
"1445477"	271.096446	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H+HCOOH"	47.012746
"235009"	252.10594	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+3H2O+2H"	56.04448
"1520152"	285.14849	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+IsoProp+H"	61.06479
"416557"	255.059888	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+Na+K"	61.952376
"779737"	367.101738	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+Na+K"	61.952376
"1676068"	143.018038	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Na+K"	61.952376
"259308"	512.183168	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+ACN+Na"	64.015768
"1238217"	288.099468	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+ACN+Na"	64.015768
"1721997"	288.122993	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+NH4+HCOOH"	64.039293
"1190998"	97.6837846666667	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+3Na"	68.967654
"1660526"	293.078388	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Na+HCOOH"	68.994688
"167023"	525.08644	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+2K-H"	76.91904
"601480"	749.17014	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+2K-H"	76.91904
"1092552"	301.00274	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2K-H"	76.91904
"149368"	263.046858	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"2M+2K"	77.926316
"583463"	375.088708	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"3M+2K"	77.926316
"1069665"	151.005008	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2K"	77.926316
"1109938"	303.017292	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2K+H"	78.933592
"1346324"	303.104907	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+DMSO+H"	79.021207
"1015950"	307.144076	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2ACN+H"	83.060376
"1535167"	308.137708	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+IsoProp+Na+H"	84.054008
"1002712"	154.075676	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+2ACN+2H"	84.067652
"1600495"	309.052328	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+K+HCOOH"	84.968628
"1425060"	339.083838	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+H+CF3COOH"	115.000138
"1157534"	174.588951	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+3ACN+2H"	125.094202
"1709272"	356.110385	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+NH4+CF3COOH"	132.026685
"1641642"	361.06578	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+Na+CF3COOH"	136.98208
"1571828"	377.03972	"C02099"	"(2S)-Flavanone"	"C15H12O2"	"224.0837"	"M+K+CF3COOH"	152.95602
"802684"	148.0736	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M"	0
"975607"	129.05521	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"64819"	97.7084573333333	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"504504"	147.066324	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"881702"	48.3505906666667	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"2829"	147.066324	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"446034"	221.103124	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"822012"	73.029524	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"89294"	295.139924	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"527761"	443.213524	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"908844"	147.066324	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"59939"	312.166471	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"502592"	460.240071	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"877302"	164.092871	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"46631"	317.121866	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"486760"	465.195466	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"863300"	169.048266	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1628822"	169.048266	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"106444"	165.054663	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"542725"	239.091463	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"936238"	91.017863	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"276982"	331.116602	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"670495"	479.190202	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1275245"	183.043002	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"18163"	333.095806	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"461000"	481.169406	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"835887"	185.022206	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1558649"	185.022206	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"945072"	193.071794	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"364748"	341.145401	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"349729"	355.161051	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1494187"	207.087451	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"959174"	215.053751	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"110755"	183.043002	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"555673"	257.079802	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1026658"	109.006202	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1241860"	226.992485	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1305403"	229.048472	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1322901"	251.030429	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"914323"	261.059186	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1289575"	297.035864	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1368831"	113.060924	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1392891"	131.0709	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"287475"	297.154476	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"687186"	445.228076	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1354056"	149.080876	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"135333"	149.080876	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"572706"	223.117676	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1040413"	75.044076	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"207580"	99.7230093333333	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"645680"	149.080876	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1162864"	50.3651426666667	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"425989"	314.181023	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"785926"	462.254623	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1695365"	166.107423	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"343635"	157.5941495	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"736056"	231.6309495	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1487689"	83.5573495	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"408326"	319.136418	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"769443"	467.210018	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1618232"	171.062818	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"327695"	160.071847	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"722797"	234.108647	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1476941"	86.035047	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1068158"	57.6924566666667	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1272673"	181.107086	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"392499"	335.110358	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"753169"	483.183958	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1549387"	187.036758	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"308386"	168.058817	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"695703"	242.095617	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1451708"	94.022017	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"237759"	338.181026	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1211924"	190.107426	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1194952"	95.557351	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"196338"	341.11836	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"639909"	489.19196	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1146468"	193.04476	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"188419"	171.062818	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"627937"	245.099618	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1126867"	97.026018	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1409297"	65.0197706666667	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1439226"	195.086346	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"232201"	176.09584	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1521356"	209.13839	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"416666"	179.049788	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"778756"	253.086588	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1672168"	105.012988	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"258323"	360.162968	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1230302"	212.089368	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1721013"	212.112893	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1188555"	72.3470846666667	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1660634"	217.068288	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"165308"	373.06624	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"604506"	521.13984	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1090476"	224.99264	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"151676"	187.036758	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"587953"	261.073558	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1082190"	112.999958	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1103490"	227.007192	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1340967"	227.094807	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1016058"	231.133976	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1537346"	232.127608	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"1000633"	116.070626	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1594047"	233.042228	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1425174"	263.073738	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1156558"	136.583901	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1707203"	280.100285	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1647957"	285.05568	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1579598"	301.02962	"C02104"	"(S)-Mevalonate;(S)-Mevalonic acid;(S)-35-Dihydroxy-3-methylvaleric acid"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"801619"	329.1627	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M"	0
"974225"	310.14431	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-H2O-H"	-19.01839
"62883"	218.434524	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M-3H"	-3.021828
"502817"	328.155424	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M-3H"	-3.021828
"880109"	108.713624	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-3H"	-3.021828
"4394"	328.155424	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H"	-2.014552
"449424"	492.736774	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H"	-2.014552
"820665"	163.574074	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H"	-2.014552
"82843"	657.318124	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M-H"	-1.007276
"526778"	986.480824	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M-H"	-1.007276
"908226"	328.155424	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-H"	-1.007276
"57862"	674.344671	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H+NH4"	16.019271
"502455"	1003.507371	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H+NH4"	16.019271
"877412"	345.181971	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H+NH4"	16.019271
"46944"	679.300066	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H+Na"	20.974666
"486544"	1008.462766	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H+Na"	20.974666
"862317"	350.137366	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H+Na"	20.974666
"1628932"	350.137366	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na-2H"	20.974666
"105461"	346.143763	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M-H+Cl"	33.962126
"541742"	510.725113	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M-H+Cl"	33.962126
"936348"	181.562413	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+Cl"	33.962126
"273812"	693.294802	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Cl"	34.969402
"667325"	1022.457502	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+Cl"	34.969402
"1276448"	364.132102	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl"	34.969402
"19004"	695.274006	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H+K"	36.948606
"458924"	1024.436706	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H+K"	36.948606
"834905"	366.111306	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H+K"	36.948606
"1557665"	366.111306	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+K-2H"	36.948606
"944087"	374.160894	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+HCOOH"	44.998194
"363399"	703.323601	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+HCOOH-H"	44.998201
"348017"	717.339251	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Hac-H"	59.013851
"1493244"	388.176551	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Hac-H"	59.013851
"958505"	396.142851	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+NaCOOH"	66.980151
"110120"	364.132102	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2Cl"	69.938804
"553596"	528.713452	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2Cl"	69.938804
"1021786"	199.550752	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2Cl"	69.938804
"1241486"	408.081585	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Br"	78.918885
"1304540"	410.137572	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl+HCOOH"	80.974872
"1320823"	432.119529	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl+NaCOOH"	102.956829
"914432"	442.148286	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+CF3COOH"	112.985586
"1289075"	478.124964	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl+CF3COOH"	148.962264
"1374410"	294.150024	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H-2H2O"	-35.012676
"1385346"	312.16	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H-H2O"	-17.0027
"282888"	659.332676	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H"	1.007276
"675950"	988.495376	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H"	1.007276
"1351736"	330.169976	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H"	1.007276
"134350"	330.169976	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2H"	2.014552
"572816"	494.751326	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2H"	2.014552
"1040523"	165.588626	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2H"	2.014552
"205507"	220.449076	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+3H"	3.021828
"645065"	330.169976	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+3H"	3.021828
"1163307"	110.728176	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+3H"	3.021828
"425373"	676.359223	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+NH4"	18.033823
"786121"	1005.521923	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+NH4"	18.033823
"1696447"	347.196523	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+NH4"	18.033823
"342653"	338.6832495	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H+NH4"	19.041099
"734345"	503.2645995	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H+NH4"	19.041099
"1487799"	174.1018995	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+NH4"	19.041099
"407950"	681.314618	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Na"	22.989218
"767487"	1010.477318	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+Na"	22.989218
"1618016"	352.151918	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na"	22.989218
"327805"	341.160947	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H+Na"	23.996494
"722664"	505.742297	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H+Na"	23.996494
"1476849"	176.579597	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+Na"	23.996494
"1068226"	118.05549	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2H+Na"	25.00377
"1272504"	362.196186	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+CH3OH+H"	33.033486
"392285"	697.288558	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+K"	38.963158
"752551"	1026.451258	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+K"	38.963158
"1544031"	368.125858	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+K"	38.963158
"305580"	349.147917	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H+K"	39.970434
"696904"	513.729267	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H+K"	39.970434
"1449632"	184.566567	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+K"	39.970434
"237504"	700.359226	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+ACN+H"	42.033826
"1210941"	371.196526	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+ACN+H"	42.033826
"1194738"	186.101901	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+ACN+2H"	43.041102
"196448"	703.29656	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2Na-H"	44.97116
"639290"	1032.45926	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2Na-H"	44.97116
"1140611"	374.13386	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2Na-H"	44.97116
"184993"	352.151918	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2Na"	45.978436
"628436"	516.733268	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2Na"	45.978436
"1126977"	187.570568	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2Na"	45.978436
"1409407"	125.382804	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+2Na"	46.985712
"1439336"	376.175446	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+HCOOH"	47.012746
"230124"	357.18494	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+3H2O+2H"	56.04448
"1519279"	390.22749	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+IsoProp+H"	61.06479
"416776"	360.138888	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Na+K"	61.952376
"778866"	524.720238	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+Na+K"	61.952376
"1669728"	195.557538	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na+K"	61.952376
"256247"	722.341168	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+ACN+Na"	64.015768
"1228955"	393.178468	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+ACN+Na"	64.015768
"1721124"	393.201993	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+NH4+HCOOH"	64.039293
"1188665"	132.710118	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+3Na"	68.967654
"1657464"	398.157388	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na+HCOOH"	68.994688
"165418"	735.24444	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2K-H"	76.91904
"604980"	1064.40714	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2K-H"	76.91904
"1090586"	406.08174	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2K-H"	76.91904
"151786"	368.125858	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2K"	77.926316
"589157"	532.707208	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2K"	77.926316
"1083272"	203.544508	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2K"	77.926316
"1102871"	408.096292	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2K+H"	78.933592
"1338161"	408.183907	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+DMSO+H"	79.021207
"1016168"	412.223076	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2ACN+H"	83.060376
"1535390"	413.216708	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+IsoProp+Na+H"	84.054008
"999650"	206.615176	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+2ACN+2H"	84.067652
"1597437"	414.131328	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+K+HCOOH"	84.968628
"1425284"	444.162838	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+CF3COOH"	115.000138
"1156668"	227.128451	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+3ACN+2H"	125.094202
"1707313"	461.189385	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+NH4+CF3COOH"	132.026685
"1648431"	466.14478	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na+CF3COOH"	136.98208
"1579708"	482.11872	"C02105"	"(S)-Reticuline;()-Reticuline"	"C19H23NO4"	"329.1627"	"M+K+CF3COOH"	152.95602
"803514"	327.1471	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M"	0
"974313"	308.12871	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"64555"	217.090790666667	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"503145"	326.139824	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"881192"	108.041757333333	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"4504"	326.139824	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"449534"	489.713374	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"824055"	162.566274	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"82953"	653.286924	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"529075"	980.434024	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"908701"	326.139824	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"57972"	670.313471	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"502160"	997.460571	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"878132"	343.166371	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"46402"	675.268866	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"482799"	1002.415966	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"859506"	348.121766	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1629040"	348.121766	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"102290"	344.128163	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"540757"	507.701713	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"932086"	180.554613	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"272827"	689.263602	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"664882"	1016.410702	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1278745"	362.116502	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"23488"	691.242806	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"459399"	1018.389906	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"839021"	364.095706	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1558504"	364.095706	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"946022"	372.145294	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"364603"	699.292401	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"347760"	713.308051	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1496593"	386.160951	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"960130"	394.127251	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"112318"	362.116502	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"551519"	525.690052	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1022139"	198.542952	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1241838"	406.065985	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1305623"	408.121972	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1320932"	430.103929	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"912356"	440.132686	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1289427"	476.109364	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1374520"	292.134424	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1387643"	310.1444	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"283558"	655.301476	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"678654"	982.448576	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1352817"	328.154376	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"126797"	328.154376	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"576206"	491.727926	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1040997"	164.580826	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"205617"	219.105342666667	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"645906"	328.154376	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1164754"	110.056309333333	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"424992"	672.328023	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"786593"	999.475123	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1694485"	345.180923	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"341668"	336.6676495	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"735182"	500.2411995	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1487910"	173.0940995	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"407331"	677.283418	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"768691"	1004.430518	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1618126"	350.136318	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"328891"	339.145347	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"721679"	502.718897	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1475984"	175.571797	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1067528"	117.383623333333	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1272652"	360.180586	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"391910"	693.257358	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"753025"	1020.404458	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1546327"	366.110258	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"308970"	347.132317	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"700294"	510.705867	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1451929"	183.558767	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"238343"	696.328026	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1210928"	369.180926	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1195661"	185.094101	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"197287"	699.26536	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"640495"	1026.41246	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1142907"	372.11826	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"184009"	350.136318	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"626129"	513.709868	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1126359"	186.562768	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1410247"	124.710937333333	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1437989"	374.159846	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"230600"	355.16934	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1516474"	388.21189	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"417615"	358.123288	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"780069"	521.696838	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1672025"	194.549738	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"261096"	718.309968	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1235992"	391.162868	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1723787"	391.186393	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1188778"	132.038251333333	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1660856"	396.141788	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"167718"	731.21324	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"604727"	1058.36034	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1092885"	404.06614	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"142776"	366.110258	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"589267"	529.683808	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1074874"	202.536708	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1105897"	406.080692	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1338271"	406.168307	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1015183"	410.207476	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1534407"	411.201108	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"998667"	205.607376	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1597547"	412.115728	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1425394"	442.147238	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1156778"	226.120651	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1710703"	459.173785	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1648541"	464.12918	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1579818"	480.10312	"C02106"	"(S)-Scoulerine;(13aS)-581313a-Tetrahydro-310-dimethoxy-6H-dibenzoagquinolizine-29-diol"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"810186"	150.0164	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M"	0
"980438"	130.99801	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H2O-H"	-19.01839
"69774"	99.0036573333333	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-3H"	-3.021828
"515532"	149.009124	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-3H"	-3.021828
"884949"	48.9981906666667	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-3H"	-3.021828
"729"	149.009124	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H"	-2.014552
"446366"	224.017324	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H"	-2.014552
"824166"	74.000924	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H"	-2.014552
"84156"	299.025524	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-H"	-1.007276
"528093"	449.041924	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-H"	-1.007276
"908691"	149.009124	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H"	-1.007276
"56990"	316.052071	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H+NH4"	16.019271
"501291"	466.068471	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H+NH4"	16.019271
"878249"	166.035671	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H+NH4"	16.019271
"46150"	321.007466	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H+Na"	20.974666
"480723"	471.023866	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H+Na"	20.974666
"858523"	170.991066	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H+Na"	20.974666
"1629150"	170.991066	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na-2H"	20.974666
"103495"	166.997463	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-H+Cl"	33.962126
"543053"	242.005663	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-H+Cl"	33.962126
"935477"	91.989263	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+Cl"	33.962126
"269658"	335.002202	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Cl"	34.969402
"664266"	485.018602	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+Cl"	34.969402
"1275574"	184.985802	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl"	34.969402
"18131"	336.981406	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M-2H+K"	36.948606
"462064"	486.997806	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M-2H+K"	36.948606
"836221"	186.965006	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-2H+K"	36.948606
"1557885"	186.965006	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K-2H"	36.948606
"945771"	195.014594	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+HCOOH"	44.998194
"364711"	345.031001	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+HCOOH-H"	44.998201
"347865"	359.046651	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Hac-H"	59.013851
"1496703"	209.030251	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Hac-H"	59.013851
"959143"	216.996551	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+NaCOOH"	66.980151
"111697"	184.985802	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2Cl"	69.938804
"550250"	259.994002	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2Cl"	69.938804
"1022979"	109.977602	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2Cl"	69.938804
"1241585"	228.935285	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Br"	78.918885
"1306829"	230.991272	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl+HCOOH"	80.974872
"1321041"	252.973229	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl+NaCOOH"	102.956829
"913920"	263.001986	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M-H+CF3COOH"	112.985586
"1291358"	298.978664	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Cl+CF3COOH"	148.962264
"1375723"	115.003724	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H-2H2O"	-35.012676
"1391034"	133.0137	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H-H2O"	-17.0027
"284279"	301.040076	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H"	1.007276
"678034"	451.056476	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H"	1.007276
"1353288"	151.023676	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H"	1.007276
"127633"	151.023676	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2H"	2.014552
"570848"	226.031876	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2H"	2.014552
"1038914"	76.015476	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2H"	2.014552
"206813"	101.018209333333	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+3H"	3.021828
"645645"	151.023676	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+3H"	3.021828
"1164870"	51.0127426666667	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+3H"	3.021828
"425224"	318.066623	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+NH4"	18.033823
"786213"	468.083023	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+NH4"	18.033823
"1696053"	168.050223	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+NH4"	18.033823
"344695"	159.5369495	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H+NH4"	19.041099
"737840"	234.5451495	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H+NH4"	19.041099
"1491545"	84.5287495	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+NH4"	19.041099
"407199"	323.022018	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Na"	22.989218
"769049"	473.038418	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+Na"	22.989218
"1616659"	173.005618	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na"	22.989218
"328762"	162.014647	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H+Na"	23.996494
"721059"	237.022847	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H+Na"	23.996494
"1476460"	87.006447	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+Na"	23.996494
"1068248"	58.3400566666667	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2H+Na"	25.00377
"1272279"	183.049886	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+CH3OH+H"	33.033486
"392382"	338.995958	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+K"	38.963158
"753505"	489.012358	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+K"	38.963158
"1544253"	188.979558	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K"	38.963158
"309081"	170.001617	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+H+K"	39.970434
"699312"	245.009817	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+H+K"	39.970434
"1451311"	94.993417	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+K"	39.970434
"240642"	342.066626	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+ACN+H"	42.033826
"1213350"	192.050226	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+ACN+H"	42.033826
"1196136"	96.528751	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+ACN+2H"	43.041102
"196668"	345.00396	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2Na-H"	44.97116
"639146"	495.02036	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2Na-H"	44.97116
"1143017"	194.98756	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2Na-H"	44.97116
"184484"	173.005618	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2Na"	45.978436
"625876"	248.013818	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2Na"	45.978436
"1127930"	97.997418	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2Na"	45.978436
"1411817"	65.6673706666667	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+2Na"	46.985712
"1444300"	197.029146	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+HCOOH"	47.012746
"235086"	178.03864	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+3H2O+2H"	56.04448
"1520959"	211.08119	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+IsoProp+H"	61.06479
"418822"	180.992588	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+Na+K"	61.952376
"779451"	256.000788	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+Na+K"	61.952376
"1673230"	105.984388	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na+K"	61.952376
"261937"	364.048568	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+ACN+Na"	64.015768
"1235738"	214.032168	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+ACN+Na"	64.015768
"1722439"	214.055693	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+NH4+HCOOH"	64.039293
"1190709"	72.9946846666667	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+3Na"	68.967654
"1664128"	219.011088	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na+HCOOH"	68.994688
"166735"	376.95184	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2K-H"	76.91904
"607024"	526.96824	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2K-H"	76.91904
"1093723"	226.93544	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2K-H"	76.91904
"156872"	188.979558	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"2M+2K"	77.926316
"593753"	263.987758	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"3M+2K"	77.926316
"1078267"	113.971358	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2K"	77.926316
"1102727"	228.949992	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2K+H"	78.933592
"1343486"	229.037607	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+DMSO+H"	79.021207
"1008369"	233.076776	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2ACN+H"	83.060376
"1536706"	234.070408	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+IsoProp+Na+H"	84.054008
"1002059"	117.042026	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+2ACN+2H"	84.067652
"1597657"	234.985028	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K+HCOOH"	84.968628
"1426598"	265.016538	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+H+CF3COOH"	115.000138
"1160168"	137.555301	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+3ACN+2H"	125.094202
"1712152"	282.043085	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+NH4+CF3COOH"	132.026685
"1648651"	286.99848	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+Na+CF3COOH"	136.98208
"1579928"	302.97242	"C02107"	"(SS)-Tartaric acid;(SS)-Tartrate;D-Tartrate;D-Tartaric acid;(2S3S)-Tartaric acid;(-)-Tartaric acid"	"C4H6O6"	"150.0164"	"M+K+CF3COOH"	152.95602
"810294"	168.115	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M"	0
"989668"	149.09661	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"73165"	111.069390666667	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"516741"	167.107724	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"890528"	55.0310573333333	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"13477"	167.107724	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"453038"	251.165224	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"831932"	83.050224	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"94041"	335.222724	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"534003"	503.337724	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"910516"	167.107724	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"62179"	352.249271	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"502307"	520.364271	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"879340"	184.134271	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"46269"	357.204666	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"485937"	525.319666	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"861551"	189.089666	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1631084"	189.089666	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"103605"	185.096063	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"545350"	269.153563	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"941054"	101.038563	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"273049"	371.199402	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"667656"	539.314402	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1277874"	203.084402	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"21523"	373.178606	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"461081"	541.293606	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"839978"	205.063606	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1561279"	205.063606	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"948069"	213.113194	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"366282"	381.228201	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"349436"	395.243851	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1496814"	227.128851	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"959132"	235.095151	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"111198"	203.084402	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"557207"	287.141902	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1027100"	119.026902	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1242669"	247.033885	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1305846"	249.089872	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1320541"	271.071829	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"912935"	281.100586	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1290373"	317.077264	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1370365"	133.102324	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1391143"	151.1123	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"284996"	337.237276	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"677051"	505.352276	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1351941"	169.122276	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H"	1.007276
"127745"	169.122276	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"570229"	253.179776	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1039025"	85.064776	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"206193"	113.083942666667	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"646851"	169.122276	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1163999"	57.0456093333333	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"425327"	354.263823	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"785754"	522.378823	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1696999"	186.148823	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"345169"	177.6355495	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"738402"	261.6930495	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1492022"	93.5780495	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"407670"	359.219218	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"768423"	527.334218	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1616520"	191.104218	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"327041"	180.113247	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"722464"	264.170747	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1476320"	96.055747	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1065065"	64.3729233333333	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1272140"	201.148486	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"392413"	375.193158	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"751782"	543.308158	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1548735"	207.078158	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+K"	38.963158
"307004"	188.100217	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"698329"	272.157717	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1449963"	104.042717	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"237469"	378.263826	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1211876"	210.148826	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1196608"	105.578051	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"191666"	381.20116	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"639621"	549.31616	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1144950"	213.08616	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"185322"	191.104218	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"625256"	275.161718	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1127676"	107.046718	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1411927"	71.7002373333333	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1443317"	215.127746	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"233738"	196.13724	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1522896"	229.17979	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"423307"	199.091188	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"783575"	283.148688	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1678815"	115.033688	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"265695"	400.245768	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1238768"	232.130768	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1725833"	232.154293	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1193374"	79.0275513333333	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1662171"	237.109688	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"167938"	413.14904	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"607500"	581.26404	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1094927"	245.03404	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"149929"	207.078158	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"596829"	291.135658	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1083119"	123.020658	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1109399"	247.048592	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1342502"	247.136207	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1008845"	251.175376	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1539371"	252.169008	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1002169"	126.091326	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1597767"	253.083628	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1426708"	283.115138	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1160278"	146.604601	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1712546"	300.141685	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1648761"	305.09708	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1580038"	321.07102	"C02108"	"12-Campholide"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"801459"	284.214	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M"	0
"974577"	265.19561	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"73275"	188.468724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"517211"	283.206724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"889545"	93.730724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"12494"	283.206724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"454971"	425.313724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"830949"	141.099724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"93941"	567.420724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"528314"	851.634724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"911297"	283.206724	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-H"	-1.007276
"62729"	584.447271	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"502698"	868.661271	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"879870"	300.233271	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"46988"	589.402666	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"485926"	873.616666	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"859475"	305.188666	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1630464"	305.188666	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"103715"	301.195063	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"543274"	443.302063	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"934602"	159.088063	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"274251"	603.397402	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"666672"	887.611402	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1277984"	319.183402	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"21633"	605.376606	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"459004"	889.590606	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"840088"	321.162606	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1563577"	321.162606	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"945992"	329.212194	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"363475"	613.426201	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"349181"	627.441851	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1493278"	343.227851	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"961188"	351.194151	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"111552"	319.183402	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"558410"	461.290402	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1026117"	177.076402	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1242415"	363.132885	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1305956"	365.188872	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1320895"	387.170829	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"913045"	397.199586	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1290119"	433.176264	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1370474"	249.201324	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1387973"	267.2113	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"285106"	569.435276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+H"	1.007276
"677526"	853.649276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1352780"	285.221276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H"	1.007276
"128220"	285.221276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"570339"	427.328276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1038406"	143.114276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2H"	2.014552
"205818"	190.483276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"645742"	285.221276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1163745"	95.745276	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+3H"	3.021828
"425437"	586.461823	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"786311"	870.675823	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1688243"	302.247823	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"343093"	293.7345495	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"737333"	435.8415495	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1491890"	151.6275495	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"406929"	591.417218	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"769667"	875.631218	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1617115"	307.203218	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Na"	22.989218
"326422"	296.212247	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"721760"	438.319247	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1475943"	154.105247	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1065175"	103.07259	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1272329"	317.247486	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"392355"	607.391158	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+K"	38.963158
"748976"	891.605158	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1552492"	323.177158	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+K"	38.963158
"308207"	304.199217	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"698439"	446.306217	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1448980"	162.092217	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"237215"	610.461826	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1211136"	326.247826	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1196112"	163.627551	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"191778"	613.39916	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"636450"	897.61316	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1145912"	329.18516	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"183245"	307.203218	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"625729"	449.310218	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1129607"	165.096218	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1411308"	110.399904	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1443426"	331.226746	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"234215"	312.23624	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1521911"	345.27879	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"421230"	315.190188	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"783687"	457.297188	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1678193"	173.083188	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"262887"	632.443768	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1237417"	348.229768	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1725575"	348.253293	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1193117"	117.727218	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1660092"	353.208688	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"169141"	645.34704	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"607607"	929.56104	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1096128"	361.13304	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"150039"	323.177158	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"596778"	465.284158	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1083470"	181.070158	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1109509"	363.147592	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1342612"	363.235207	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1009683"	367.274376	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1534737"	368.268008	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"1002279"	184.140826	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1597877"	369.182628	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1426818"	399.214138	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1160388"	204.654101	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1712494"	416.240685	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1648871"	421.19608	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1580148"	437.17002	"C02110"	"11-cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"801809"	119.0582	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M"	0
"986238"	100.03981	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"73386"	78.3648573333333	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"517688"	118.050924	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"892939"	38.6787906666667	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"13702"	118.050924	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"453259"	177.580024	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"829967"	58.521824	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"94181"	237.109124	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"534219"	356.167324	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"911326"	118.050924	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"62315"	254.135671	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"502365"	373.193871	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"879429"	135.077471	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"43318"	259.091066	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"484581"	378.149266	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"862018"	140.032866	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1628391"	140.032866	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"104922"	136.039263	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"544481"	195.568363	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"933620"	76.510163	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"268897"	273.085802	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"661315"	392.144002	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1274446"	154.027602	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"17368"	275.065006	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"457657"	394.123206	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"833269"	156.006806	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1556070"	156.006806	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"942784"	164.056394	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"363227"	283.114601	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"346133"	297.130251	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1492750"	178.072051	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"973866"	186.038351	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"118963"	154.027602	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"553056"	213.556702	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1022582"	94.498502	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1241711"	197.977085	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1304967"	200.033072	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1322471"	222.015029	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"918998"	232.043786	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1301907"	268.020464	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1378246"	84.045524	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1396837"	102.0555	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"294334"	239.123676	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"687122"	358.181876	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1360919"	120.065476	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"132714"	120.065476	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"568628"	179.594576	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1038152"	60.536376	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"205444"	80.3794093333333	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"645252"	120.065476	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1165194"	40.6933426666667	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"439298"	256.150223	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"800292"	375.208423	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1695408"	137.092023	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"342840"	128.5787495	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"736364"	188.1078495	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1490546"	69.0496495	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"407039"	261.105618	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"768402"	380.163818	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1618159"	142.047418	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"329736"	131.056447	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"720417"	190.585547	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1475692"	71.527347	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1068333"	48.0206566666667	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1272314"	152.091686	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"383719"	277.079558	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"746902"	396.137758	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1547861"	158.021358	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"303215"	139.043417	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"705117"	198.572517	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1454562"	79.514317	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"242069"	280.150226	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1215141"	161.092026	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1209524"	81.049651	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"201749"	283.08756	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"643496"	402.14576	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1144452"	164.02936	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"184464"	142.047418	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"621838"	201.576518	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1127531"	82.518318	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1410691"	55.3479706666667	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1442807"	166.070946	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"234688"	147.08044	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1520196"	180.12299	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"419153"	150.034388	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"778324"	209.563488	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1677570"	90.505288	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"262632"	302.132168	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1237893"	183.073968	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1727507"	183.097493	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1188124"	62.6752846666667	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1655829"	188.052888	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"164878"	315.03544	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"612184"	434.09364	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1099879"	195.97724	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"156922"	158.021358	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"596151"	217.550458	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1077503"	98.492258	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1113994"	197.991792	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1351113"	198.079407	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1020370"	202.118576	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1539593"	203.112208	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"1003485"	101.562926	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1595806"	204.026828	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1423651"	234.058338	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1160500"	122.076201	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1707864"	251.084885	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1648982"	256.04028	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1580260"	272.01422	"C02115"	"2-Methylserine"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"804066"	89.0477	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M"	0
"985255"	70.02931	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"73496"	58.3578573333333	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"517433"	88.040424	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"892321"	28.6752906666667	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"13448"	88.040424	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"452276"	132.564274	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"828983"	43.516574	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"94007"	177.088124	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"533645"	266.135824	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"911083"	88.040424	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"62304"	194.114671	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"501987"	283.162371	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"876620"	105.066971	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"43428"	199.070066	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"483353"	288.117766	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"861764"	110.022366	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1628501"	110.022366	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"106125"	106.028763	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"540217"	150.552613	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"933730"	61.504913	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"271192"	213.064802	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"662520"	302.112502	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1274193"	124.017102	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"17480"	215.044006	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"456796"	304.091706	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"834111"	125.996306	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1556509"	125.996306	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"943088"	134.045894	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"361876"	223.093601	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"345959"	237.109251	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1493026"	148.061551	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"974061"	156.027851	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"123445"	124.017102	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"554259"	168.540952	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1021720"	79.493252	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1242269"	167.966585	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1305442"	170.022572	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1320391"	192.004529	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"911529"	202.033286	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1302017"	238.009964	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1377991"	54.035024	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1395851"	72.045	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"295537"	179.102676	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"682489"	268.150376	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1361029"	90.054976	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"132824"	90.054976	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"568738"	134.578826	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1040083"	45.531126	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"206892"	60.3724093333333	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"645483"	90.054976	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1165183"	30.6898426666667	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"438072"	196.129223	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"799310"	285.176923	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1694668"	107.081523	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"340029"	98.5682495	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"734653"	143.0920995	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1489564"	54.0443995	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"406788"	201.084618	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"767054"	290.132318	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1617703"	112.036918	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"329077"	101.045947	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"718340"	145.569797	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1475438"	56.522097	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1067591"	38.0171566666667	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1270602"	122.081186	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"382736"	217.058558	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"744826"	306.106258	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1545785"	128.010858	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"301868"	109.032917	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"704863"	153.556767	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1454308"	64.509067	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"242179"	220.129226	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1213794"	131.081526	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1209311"	66.044401	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
"203442"	223.06656	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+2Na-H"	44.97116
"641783"	312.11426	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+2Na-H"	44.97116
"1145292"	134.01886	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"183481"	112.036918	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"623042"	156.560768	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1125089"	67.513068	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1410799"	45.3444706666667	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1442549"	136.060446	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"230786"	117.06994	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1515565"	150.11249	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"419628"	120.023888	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"776248"	164.547738	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1669296"	75.500038	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"256908"	242.111168	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1235085"	153.063468	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1724335"	153.086993	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1186047"	52.6717846666667	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1653752"	158.042388	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"162799"	255.01444	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"611726"	344.06214	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1098671"	165.96674	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"156585"	128.010858	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"595776"	172.534708	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1077613"	83.487008	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1110824"	167.981292	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1351103"	168.068907	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1019749"	172.108076	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1534959"	173.101708	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"1003595"	86.557676	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1602235"	174.016328	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1429786"	204.047838	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1162434"	107.070951	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1707974"	221.074385	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1649092"	226.02978	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1580370"	242.00372	"C02116"	"2-Nitropropane"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"801945"	326.2821	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M"	0
"985365"	307.26371	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-H2O-H"	-19.01839
"73606"	216.514124	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M-3H"	-3.021828
"517179"	325.274824	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M-3H"	-3.021828
"892065"	107.753424	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-3H"	-3.021828
"13922"	325.274824	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M-2H"	-2.014552
"452386"	488.415874	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M-2H"	-2.014552
"828000"	162.133774	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-2H"	-2.014552
"92006"	651.556924	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M-H"	-1.007276
"529740"	977.839024	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M-H"	-1.007276
"907542"	325.274824	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-H"	-1.007276
"61435"	668.583471	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M-2H+NH4"	16.019271
"501118"	994.865571	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M-2H+NH4"	16.019271
"873813"	342.301371	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-2H+NH4"	16.019271
"39526"	673.538866	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M-2H+Na"	20.974666
"484919"	999.820966	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M-2H+Na"	20.974666
"856890"	347.256766	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-2H+Na"	20.974666
"1625329"	347.256766	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Na-2H"	20.974666
"100766"	343.263163	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M-H+Cl"	33.962126
"540325"	506.404213	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M-H+Cl"	33.962126
"929465"	180.122113	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-H+Cl"	33.962126
"269116"	687.533602	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+Cl"	34.969402
"661171"	1013.815702	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+Cl"	34.969402
"1274302"	361.251502	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Cl"	34.969402
"17952"	689.512806	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M-2H+K"	36.948606
"459337"	1015.794906	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M-2H+K"	36.948606
"833126"	363.230706	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-2H+K"	36.948606
"1555802"	363.230706	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+K-2H"	36.948606
"943277"	371.280294	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-H+HCOOH"	44.998194
"361588"	697.562401	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+HCOOH-H"	44.998201
"346065"	711.578051	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+Hac-H"	59.013851
"1493477"	385.295951	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Hac-H"	59.013851
"973799"	393.262251	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-H+NaCOOH"	66.980151
"121368"	361.251502	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+2Cl"	69.938804
"551453"	524.392552	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+2Cl"	69.938804
"1023164"	198.110452	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2Cl"	69.938804
"1242739"	405.200985	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Br"	78.918885
"1304581"	407.256972	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Cl+HCOOH"	80.974872
"1320984"	429.238929	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Cl+NaCOOH"	102.956829
"911466"	439.267686	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M-H+CF3COOH"	112.985586
"1292646"	475.244364	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Cl+CF3COOH"	148.962264
"1375182"	291.269424	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H-2H2O"	-35.012676
"1391585"	309.2794	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H-H2O"	-17.0027
"293460"	653.571476	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+H"	1.007276
"679319"	979.853576	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+H"	1.007276
"1358951"	327.289376	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H"	1.007276
"131841"	327.289376	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+2H"	2.014552
"568484"	490.430426	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+2H"	2.014552
"1038375"	164.148326	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2H"	2.014552
"205909"	218.528676	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+3H"	3.021828
"647294"	327.289376	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+3H"	3.021828
"1164081"	109.767976	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+3H"	3.021828
"438182"	670.598023	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+NH4"	18.033823
"799906"	996.880123	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+NH4"	18.033823
"1694415"	344.315923	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+NH4"	18.033823
"339046"	335.8026495	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+H+NH4"	19.041099
"734762"	498.9436995	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+H+NH4"	19.041099
"1488580"	172.6615995	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H+NH4"	19.041099
"406534"	675.553418	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+Na"	22.989218
"767771"	1001.835518	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+Na"	22.989218
"1617207"	349.271318	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Na"	22.989218
"327851"	338.280347	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+H+Na"	23.996494
"718086"	501.421397	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+H+Na"	23.996494
"1474456"	175.139297	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H+Na"	23.996494
"1066852"	117.09529	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2H+Na"	25.00377
"1270591"	359.315586	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+CH3OH+H"	33.033486
"382846"	691.527358	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+K"	38.963158
"744935"	1017.809458	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+K"	38.963158
"1545892"	365.245258	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+K"	38.963158
"303069"	346.267317	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+H+K"	39.970434
"694395"	509.408367	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+H+K"	39.970434
"1450405"	183.126267	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H+K"	39.970434
"242289"	694.598026	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+ACN+H"	42.033826
"1213904"	368.315926	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+ACN+H"	42.033826
"1202162"	184.661601	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+ACN+2H"	43.041102
"203425"	697.53536	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+2Na-H"	44.97116
"640797"	1023.81746	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+2Na-H"	44.97116
"1142123"	371.25326	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2Na-H"	44.97116
"180311"	349.271318	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+2Na"	45.978436
"622059"	512.412368	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+2Na"	45.978436
"1121189"	186.130268	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2Na"	45.978436
"1406900"	124.422604	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H+2Na"	46.985712
"1442295"	373.294846	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H+HCOOH"	47.012746
"228708"	354.30434	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+3H2O+2H"	56.04448
"1510209"	387.34689	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+IsoProp+H"	61.06479
"420102"	357.258288	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+Na+K"	61.952376
"773078"	520.399338	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+Na+K"	61.952376
"1668311"	194.117238	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Na+K"	61.952376
"253734"	716.579968	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+ACN+Na"	64.015768
"1230821"	390.297868	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+ACN+Na"	64.015768
"1718613"	390.321393	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+NH4+HCOOH"	64.039293
"1180690"	131.749918	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+3Na"	68.967654
"1652768"	395.276788	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Na+HCOOH"	68.994688
"160723"	729.48324	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+2K-H"	76.91904
"611228"	1055.76534	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+2K-H"	76.91904
"1098781"	403.20114	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2K-H"	76.91904
"156777"	365.245258	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"2M+2K"	77.926316
"596007"	528.386308	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"3M+2K"	77.926316
"1075535"	202.104208	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2K"	77.926316
"1108747"	405.215692	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2K+H"	78.933592
"1348414"	405.303307	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+DMSO+H"	79.021207
"1014756"	409.342476	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2ACN+H"	83.060376
"1533976"	410.336108	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+IsoProp+Na+H"	84.054008
"994954"	205.174876	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+2ACN+2H"	84.067652
"1601493"	411.250728	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+K+HCOOH"	84.968628
"1428612"	441.282238	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+H+CF3COOH"	115.000138
"1161451"	225.688151	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+3ACN+2H"	125.094202
"1711002"	458.308785	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+NH4+CF3COOH"	132.026685
"1648110"	463.26418	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+Na+CF3COOH"	136.98208
"1583759"	479.23812	"C02117"	"2-Oxophytanate;2-Oxophytanic acid"	"C20H38O3"	"326.2821"	"M+K+CF3COOH"	152.95602
"813038"	130.063	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M"	0
"983289"	111.04461	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"77000"	85.7013906666667	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"515466"	129.055724	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"894972"	42.3470573333333	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"15003"	129.055724	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"455414"	194.087224	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"830670"	64.024224	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"92482"	259.118724	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"533135"	389.181724	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"907655"	129.055724	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"55469"	276.145271	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"497220"	406.208271	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"873925"	146.082271	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"40732"	281.100666	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"480292"	411.163666	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"854815"	151.037666	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1619040"	151.037666	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"96868"	147.044063	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"534969"	212.075563	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"929944"	82.012563	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"268130"	295.095402	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"661644"	425.158402	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1275140"	165.032402	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"17331"	297.074606	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"456528"	427.137606	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"833358"	167.011606	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1557826"	167.011606	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"946073"	175.061194	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"362249"	305.124201	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"358993"	319.139851	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1502846"	189.076851	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"964918"	197.043151	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"116014"	165.032402	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"551928"	230.063902	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1023643"	100.000902	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1244313"	208.981885	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1308951"	211.037872	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1324259"	233.019829	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"925894"	243.048586	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1302968"	279.025264	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1378576"	95.050324	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1396071"	113.0603	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"288467"	261.133276	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"679434"	391.196276	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1359064"	131.070276	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H"	1.007276
"134140"	131.070276	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"576983"	196.101776	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1043592"	66.038776	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"211496"	87.7159426666667	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"651057"	131.070276	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1173195"	44.3616093333333	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"431364"	278.159823	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"797465"	408.222823	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1695262"	148.096823	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"338080"	139.5835495	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"734873"	204.6150495	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1486508"	74.5520495	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"402271"	283.115218	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"765088"	413.178218	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1613187"	153.052218	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"323222"	142.061247	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"717829"	207.092747	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1473836"	77.029747	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1060519"	51.6889233333333	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1267666"	163.096486	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"385147"	299.089158	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"741768"	429.152158	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1548194"	169.026158	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+K"	38.963158
"306461"	150.048217	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"703990"	215.079717	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1460851"	85.016717	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"248962"	302.159826	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1221673"	172.096826	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1205565"	86.552051	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"196252"	305.09716	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"638000"	435.16016	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1141141"	175.03416	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"179328"	153.052218	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"617794"	218.083718	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1120206"	88.020718	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1409198"	59.0162373333333	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1440219"	177.075746	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"232831"	158.08524	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1520894"	191.12779	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"418758"	161.039188	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"783030"	226.070688	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1676080"	96.007688	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"254944"	324.141768	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1229841"	194.078768	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1722010"	194.102293	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1181896"	66.3435513333333	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1664929"	199.057688	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"172154"	337.04504	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"610985"	467.10804	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1098778"	206.98204	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"156687"	169.026158	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"596695"	234.057658	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1082941"	103.994658	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1115059"	208.996592	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1348527"	209.084207	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1015964"	213.123376	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1535181"	214.117008	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1001633"	107.065326	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1600146"	215.031628	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1423985"	245.063138	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1157552"	127.578601	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1708195"	262.089685	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1642751"	267.04508	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1571842"	283.01902	"C02122"	"3-Oxohexanoic acid;3-Oxohexanoate"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"813148"	176.0685	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M"	0
"986680"	157.05011	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-H2O-H"	-19.01839
"74924"	116.371724	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M-3H"	-3.021828
"518053"	175.061224	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M-3H"	-3.021828
"894353"	57.682224	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-3H"	-3.021828
"14994"	175.061224	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M-2H"	-2.014552
"455165"	263.095474	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M-2H"	-2.014552
"831510"	87.026974	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-2H"	-2.014552
"93322"	351.129724	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M-H"	-1.007276
"532882"	527.198224	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M-H"	-1.007276
"908858"	175.061224	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-H"	-1.007276
"58858"	368.156271	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M-2H+NH4"	16.019271
"499517"	544.224771	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M-2H+NH4"	16.019271
"875128"	192.087771	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-2H+NH4"	16.019271
"41934"	373.111666	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M-2H+Na"	20.974666
"484411"	549.180166	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M-2H+Na"	20.974666
"854924"	197.043166	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-2H+Na"	20.974666
"1624457"	197.043166	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Na-2H"	20.974666
"99891"	193.049563	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M-H+Cl"	33.962126
"540548"	281.083813	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M-H+Cl"	33.962126
"934062"	105.015313	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-H+Cl"	33.962126
"269700"	387.106402	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+Cl"	34.969402
"663212"	563.174902	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+Cl"	34.969402
"1275979"	211.037902	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Cl"	34.969402
"22184"	389.085606	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M-2H+K"	36.948606
"457368"	565.154106	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M-2H+K"	36.948606
"834563"	213.017106	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-2H+K"	36.948606
"1556957"	213.017106	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+K-2H"	36.948606
"944359"	221.066694	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-H+HCOOH"	44.998194
"361841"	397.135201	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+HCOOH-H"	44.998201
"358374"	411.150851	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+Hac-H"	59.013851
"1504049"	235.082351	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Hac-H"	59.013851
"968308"	243.048651	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-H+NaCOOH"	66.980151
"116124"	211.037902	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+2Cl"	69.938804
"554590"	299.072152	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+2Cl"	69.938804
"1023753"	123.003652	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2Cl"	69.938804
"1242966"	254.987385	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Br"	78.918885
"1309791"	257.043372	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Cl+HCOOH"	80.974872
"1325099"	279.025329	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Cl+NaCOOH"	102.956829
"925640"	289.054086	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M-H+CF3COOH"	112.985586
"1303078"	325.030764	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Cl+CF3COOH"	148.962264
"1381238"	141.055824	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H-2H2O"	-35.012676
"1395817"	159.0658	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H-H2O"	-17.0027
"295869"	353.144276	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+H"	1.007276
"682822"	529.212776	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+H"	1.007276
"1355890"	177.075776	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H"	1.007276
"128050"	177.075776	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+2H"	2.014552
"569795"	265.110026	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+2H"	2.014552
"1039075"	89.041526	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2H"	2.014552
"205767"	118.386276	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+3H"	3.021828
"647148"	177.075776	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+3H"	3.021828
"1170386"	59.696776	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+3H"	3.021828
"429286"	370.170823	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+NH4"	18.033823
"796846"	546.239323	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+NH4"	18.033823
"1695983"	194.102323	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+NH4"	18.033823
"339283"	185.5890495	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+H+NH4"	19.041099
"733889"	273.6232995	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+H+NH4"	19.041099
"1486618"	97.5547995	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H+NH4"	19.041099
"403109"	375.126218	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+Na"	22.989218
"765197"	551.194718	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+Na"	22.989218
"1616575"	199.057718	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Na"	22.989218
"325519"	188.066747	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+H+Na"	23.996494
"717939"	276.100997	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+H+Na"	23.996494
"1475040"	100.032497	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H+Na"	23.996494
"1063909"	67.02409	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2H+Na"	25.00377
"1267776"	209.101986	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+CH3OH+H"	33.033486
"385257"	391.100158	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+K"	38.963158
"741878"	567.168658	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+K"	38.963158
"1548304"	215.031658	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+K"	38.963158
"306571"	196.053717	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+H+K"	39.970434
"705192"	284.087967	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+H+K"	39.970434
"1460473"	108.019467	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H+K"	39.970434
"249072"	394.170826	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+ACN+H"	42.033826
"1221783"	218.102326	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+ACN+H"	42.033826
"1205312"	109.554801	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+ACN+2H"	43.041102
"195269"	397.10816	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+2Na-H"	44.97116
"633735"	573.17666	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+2Na-H"	44.97116
"1135054"	221.03966	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2Na-H"	44.97116
"173843"	199.057718	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+2Na"	45.978436
"617904"	287.091968	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+2Na"	45.978436
"1116546"	111.023468	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2Na"	45.978436
"1406027"	74.351404	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H+2Na"	46.985712
"1438143"	223.081246	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H+HCOOH"	47.012746
"228929"	204.09074	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+3H2O+2H"	56.04448
"1519181"	237.13329	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+IsoProp+H"	61.06479
"419960"	207.044688	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+Na+K"	61.952376
"779860"	295.078938	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+Na+K"	61.952376
"1674003"	119.010438	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Na+K"	61.952376
"259427"	416.152768	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+ACN+Na"	64.015768
"1228856"	240.084268	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+ACN+Na"	64.015768
"1717746"	240.107793	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+NH4+HCOOH"	64.039293
"1181274"	81.678718	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+3Na"	68.967654
"1665034"	245.063188	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Na+HCOOH"	68.994688
"172135"	429.05604	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+2K-H"	76.91904
"611337"	605.12454	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+2K-H"	76.91904
"1098886"	252.98754	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2K-H"	76.91904
"156549"	215.031658	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"2M+2K"	77.926316
"593432"	303.065908	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"3M+2K"	77.926316
"1083906"	126.997408	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2K"	77.926316
"1115052"	255.002092	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2K+H"	78.933592
"1349121"	255.089707	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+DMSO+H"	79.021207
"1018259"	259.128876	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2ACN+H"	83.060376
"1527635"	260.122508	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+IsoProp+Na+H"	84.054008
"1001743"	130.068076	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+2ACN+2H"	84.067652
"1596246"	261.037128	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+K+HCOOH"	84.968628
"1426278"	291.068638	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+H+CF3COOH"	115.000138
"1157663"	150.581351	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+3ACN+2H"	125.094202
"1710494"	308.095185	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+NH4+CF3COOH"	132.026685
"1648330"	313.05058	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+Na+CF3COOH"	136.98208
"1571588"	329.02452	"C02123"	"3-Propylmalate"	"C7H12O5"	"176.0685"	"M+K+CF3COOH"	152.95602
"814352"	128.0029	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M"	0
"989718"	108.98451	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-H2O-H"	-19.01839
"78417"	84.3279906666667	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M-3H"	-3.021828
"516785"	126.995624	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M-3H"	-3.021828
"894834"	41.6603573333333	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-3H"	-3.021828
"14253"	126.995624	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H"	-2.014552
"455199"	190.997074	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H"	-2.014552
"830532"	62.994174	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-2H"	-2.014552
"89430"	254.998524	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M-H"	-1.007276
"530811"	383.001424	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M-H"	-1.007276
"907878"	126.995624	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-H"	-1.007276
"57884"	272.025071	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H+NH4"	16.019271
"497443"	400.027971	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H+NH4"	16.019271
"876336"	144.022171	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-2H+NH4"	16.019271
"43143"	276.980466	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H+Na"	20.974666
"481609"	404.983366	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H+Na"	20.974666
"857225"	148.977566	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-2H+Na"	20.974666
"1625664"	148.977566	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Na-2H"	20.974666
"104379"	144.983963	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M-H+Cl"	33.962126
"541753"	208.985413	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M-H+Cl"	33.962126
"934175"	80.982513	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-H+Cl"	33.962126
"269813"	290.975202	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+Cl"	34.969402
"662599"	418.978102	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+Cl"	34.969402
"1275368"	162.972302	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl"	34.969402
"17553"	292.954406	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H+K"	36.948606
"456993"	420.957306	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H+K"	36.948606
"833094"	164.951506	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-2H+K"	36.948606
"1556339"	164.951506	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+K-2H"	36.948606
"945930"	173.001094	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-H+HCOOH"	44.998194
"368156"	301.004001	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+HCOOH-H"	44.998201
"360597"	315.019651	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+Hac-H"	59.013851
"1507439"	187.016751	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Hac-H"	59.013851
"969513"	194.983051	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-H+NaCOOH"	66.980151
"119515"	162.972302	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+2Cl"	69.938804
"557252"	226.973752	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+2Cl"	69.938804
"1026051"	98.970852	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2Cl"	69.938804
"1245629"	206.921785	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Br"	78.918885
"1313182"	208.977772	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl+HCOOH"	80.974872
"1329586"	230.959729	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl+NaCOOH"	102.956829
"925386"	240.988486	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M-H+CF3COOH"	112.985586
"1302824"	276.965164	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl+CF3COOH"	148.962264
"1381352"	92.990224	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H-2H2O"	-35.012676
"1396295"	111.0002	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H-H2O"	-17.0027
"297439"	257.013076	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+H"	1.007276
"687307"	385.015976	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+H"	1.007276
"1361467"	129.010176	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H"	1.007276
"134357"	129.010176	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+2H"	2.014552
"568815"	193.011626	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+2H"	2.014552
"1047822"	65.008726	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2H"	2.014552
"209525"	86.3425426666667	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+3H"	3.021828
"647626"	129.010176	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+3H"	3.021828
"1173777"	43.6749093333333	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+3H"	3.021828
"433771"	274.039623	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+NH4"	18.033823
"799878"	402.042523	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+NH4"	18.033823
"1695486"	146.036723	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+NH4"	18.033823
"340484"	137.5234495	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+H+NH4"	19.041099
"731815"	201.5248995	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+H+NH4"	19.041099
"1486729"	73.5219995	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H+NH4"	19.041099
"403220"	278.995018	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+Na"	22.989218
"765308"	406.997918	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+Na"	22.989218
"1611220"	150.992118	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Na"	22.989218
"325630"	140.001147	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+H+Na"	23.996494
"719144"	204.002597	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+H+Na"	23.996494
"1476244"	75.999697	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H+Na"	23.996494
"1062927"	51.0022233333333	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2H+Na"	25.00377
"1267887"	161.036386	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+CH3OH+H"	33.033486
"385369"	294.968958	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+K"	38.963158
"747456"	422.971858	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+K"	38.963158
"1551696"	166.966058	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+K"	38.963158
"308871"	147.988117	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+H+K"	39.970434
"704574"	211.989567	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+H+K"	39.970434
"1459489"	83.986667	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H+K"	39.970434
"248089"	298.039626	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+ACN+H"	42.033826
"1225593"	170.036726	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+ACN+H"	42.033826
"1206515"	85.522001	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+ACN+2H"	43.041102
"198660"	300.97696	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+2Na-H"	44.97116
"640407"	428.97986	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+2Na-H"	44.97116
"1138442"	172.97406	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2Na-H"	44.97116
"177357"	150.992118	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+2Na"	45.978436
"620200"	214.993568	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+2Na"	45.978436
"1120425"	86.990668	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2Na"	45.978436
"1402854"	58.3295373333333	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H+2Na"	46.985712
"1433149"	175.015646	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H+HCOOH"	47.012746
"231231"	156.02514	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+3H2O+2H"	56.04448
"1521476"	189.06769	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+IsoProp+H"	61.06479
"420800"	158.979088	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+Na+K"	61.952376
"777786"	222.980538	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+Na+K"	61.952376
"1671929"	94.977638	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Na+K"	61.952376
"256261"	320.021568	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+ACN+Na"	64.015768
"1231158"	192.018668	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+ACN+Na"	64.015768
"1720045"	192.042193	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+NH4+HCOOH"	64.039293
"1184304"	65.6568513333333	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+3Na"	68.967654
"1663933"	196.997588	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Na+HCOOH"	68.994688
"172129"	332.92484	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+2K-H"	76.91904
"612177"	460.92774	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+2K-H"	76.91904
"1099240"	204.92194	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2K-H"	76.91904
"156177"	166.966058	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"2M+2K"	77.926316
"595488"	230.967508	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"3M+2K"	77.926316
"1083412"	102.964608	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2K"	77.926316
"1115200"	206.936492	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2K+H"	78.933592
"1348746"	207.024107	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+DMSO+H"	79.021207
"1018371"	211.063276	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2ACN+H"	83.060376
"1537589"	212.056908	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+IsoProp+Na+H"	84.054008
"1003678"	106.035276	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+2ACN+2H"	84.067652
"1601096"	212.971528	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+K+HCOOH"	84.968628
"1428217"	243.003038	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+H+CF3COOH"	115.000138
"1154493"	126.548551	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+3ACN+2H"	125.094202
"1711333"	260.029585	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+NH4+CF3COOH"	132.026685
"1646253"	264.98498	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+Na+CF3COOH"	136.98208
"1574250"	280.95892	"C02124"	"4-Chlorophenol;p-Chlorophenol;Parachlorophenol"	"C6H5ClO"	"128.0029"	"M+K+CF3COOH"	152.95602
"810087"	138.0429	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M"	0
"986901"	119.02451	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-H2O-H"	-19.01839
"78469"	91.021324	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M-3H"	-3.021828
"518351"	137.035624	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M-3H"	-3.021828
"893978"	45.007024	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-3H"	-3.021828
"12176"	137.035624	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M-2H"	-2.014552
"453924"	206.057074	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M-2H"	-2.014552
"832503"	68.014174	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-2H"	-2.014552
"92457"	275.078524	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M-H"	-1.007276
"530195"	413.121424	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M-H"	-1.007276
"907997"	137.035624	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-H"	-1.007276
"60182"	292.105071	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M-2H+NH4"	16.019271
"501199"	430.147971	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M-2H+NH4"	16.019271
"876446"	154.062171	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-2H+NH4"	16.019271
"43251"	297.060466	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M-2H+Na"	20.974666
"482812"	435.103366	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M-2H+Na"	20.974666
"861707"	159.017566	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-2H+Na"	20.974666
"1627958"	159.017566	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Na-2H"	20.974666
"102301"	155.023963	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M-H+Cl"	33.962126
"538582"	224.045413	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M-H+Cl"	33.962126
"931004"	86.002513	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-H+Cl"	33.962126
"269559"	311.055202	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+Cl"	34.969402
"665261"	449.098102	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+Cl"	34.969402
"1275478"	173.012302	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Cl"	34.969402
"16329"	313.034406	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M-2H+K"	36.948606
"456008"	451.077306	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M-2H+K"	36.948606
"833085"	174.991506	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-2H+K"	36.948606
"1555969"	174.991506	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+K-2H"	36.948606
"943124"	183.041094	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-H+HCOOH"	44.998194
"372281"	321.084001	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+HCOOH-H"	44.998201
"361027"	335.099651	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+Hac-H"	59.013851
"1507429"	197.056751	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Hac-H"	59.013851
"972782"	205.023051	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-H+NaCOOH"	66.980151
"119624"	173.012302	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+2Cl"	69.938804
"554810"	242.033752	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+2Cl"	69.938804
"1026160"	103.990852	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2Cl"	69.938804
"1246468"	216.961785	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Br"	78.918885
"1310375"	219.017772	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Cl+HCOOH"	80.974872
"1327507"	240.999729	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Cl+NaCOOH"	102.956829
"915649"	251.028486	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M-H+CF3COOH"	112.985586
"1301474"	287.005164	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Cl+CF3COOH"	148.962264
"1382191"	103.030224	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H-2H2O"	-35.012676
"1395675"	121.0402	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H-H2O"	-17.0027
"294632"	277.093076	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+H"	1.007276
"684136"	415.135976	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+H"	1.007276
"1360484"	139.050176	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H"	1.007276
"136654"	139.050176	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+2H"	2.014552
"568561"	208.071626	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+2H"	2.014552
"1044286"	70.028726	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2H"	2.014552
"208906"	93.035876	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+3H"	3.021828
"657952"	139.050176	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+3H"	3.021828
"1168423"	47.021576	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+3H"	3.021828
"433881"	294.119623	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+NH4"	18.033823
"797080"	432.162523	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+NH4"	18.033823
"1692315"	156.076723	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+NH4"	18.033823
"341689"	147.5634495	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+H+NH4"	19.041099
"736298"	216.5848995	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+H+NH4"	19.041099
"1490120"	78.5419995	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H+NH4"	19.041099
"406612"	299.075018	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+Na"	22.989218
"768700"	437.117918	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+Na"	22.989218
"1617529"	161.032118	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Na"	22.989218
"326835"	150.041147	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+H+Na"	23.996494
"718162"	219.062597	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+H+Na"	23.996494
"1476805"	81.019697	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H+Na"	23.996494
"1065229"	54.34889	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2H+Na"	25.00377
"1269091"	171.076386	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+CH3OH+H"	33.033486
"392284"	315.048958	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+K"	38.963158
"751576"	453.091858	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+K"	38.963158
"1551806"	177.006058	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+K"	38.963158
"311169"	158.028117	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+H+K"	39.970434
"702498"	227.049567	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+H+K"	39.970434
"1458506"	89.006667	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H+K"	39.970434
"249295"	318.119626	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+ACN+H"	42.033826
"1217642"	180.076726	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+ACN+H"	42.033826
"1205898"	90.542001	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+ACN+2H"	43.041102
"198768"	321.05696	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+2Na-H"	44.97116
"642338"	459.09986	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+2Na-H"	44.97116
"1143658"	183.01406	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2Na-H"	44.97116
"181843"	161.032118	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+2Na"	45.978436
"627234"	230.053568	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+2Na"	45.978436
"1121631"	92.010668	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2Na"	45.978436
"1406248"	61.676204	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H+2Na"	46.985712
"1438365"	185.055646	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H+HCOOH"	47.012746
"233527"	166.06514	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+3H2O+2H"	56.04448
"1518307"	199.10769	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+IsoProp+H"	61.06479
"417995"	169.019088	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+Na+K"	61.952376
"777897"	238.040538	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+Na+K"	61.952376
"1676412"	99.997638	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Na+K"	61.952376
"257469"	340.101568	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+ACN+Na"	64.015768
"1231270"	202.058668	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+ACN+Na"	64.015768
"1719062"	202.082193	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+NH4+HCOOH"	64.039293
"1193172"	69.003518	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+3Na"	68.967654
"1664887"	207.037588	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Na+HCOOH"	68.994688
"171877"	353.00484	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+2K-H"	76.91904
"612762"	491.04774	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+2K-H"	76.91904
"1098381"	214.96194	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2K-H"	76.91904
"156160"	177.006058	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"2M+2K"	77.926316
"596579"	246.027508	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"3M+2K"	77.926316
"1084012"	107.984608	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2K"	77.926316
"1114784"	216.976492	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2K+H"	78.933592
"1348380"	217.064107	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+DMSO+H"	79.021207
"1020308"	221.103276	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2ACN+H"	83.060376
"1535511"	222.096908	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+IsoProp+Na+H"	84.054008
"1003671"	111.055276	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+2ACN+2H"	84.067652
"1599747"	223.011528	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+K+HCOOH"	84.968628
"1427232"	253.043038	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+H+CF3COOH"	115.000138
"1157882"	131.568551	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+3ACN+2H"	125.094202
"1710713"	270.069585	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+NH4+CF3COOH"	132.026685
"1646362"	275.02498	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+Na+CF3COOH"	136.98208
"1574361"	290.99892	"C02126"	"4-Nitroaniline;p-Nitroaniline;4-Nitrobenzeneamine"	"C6H6N2O2"	"138.0429"	"M+K+CF3COOH"	152.95602
"805822"	130.063	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M"	0
"978261"	111.04461	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"67596"	85.7013906666667	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"511530"	129.055724	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"893712"	42.3470573333333	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"14841"	129.055724	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"455013"	194.087224	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"831480"	64.024224	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"89286"	259.118724	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"531398"	389.181724	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"909321"	129.055724	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"59930"	276.145271	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"499726"	406.208271	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"877650"	146.082271	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"45184"	281.100666	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"485716"	411.163666	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"862789"	151.037666	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1626975"	151.037666	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"101318"	147.044063	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"539783"	212.075563	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"929290"	82.012563	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"268818"	295.095402	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"665371"	425.158402	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1273641"	165.032402	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"16807"	297.074606	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"455683"	427.137606	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"835873"	167.011606	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1558998"	167.011606	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"955637"	175.061194	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"374949"	305.124201	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"358103"	319.139851	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1498185"	189.076851	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"970829"	197.043151	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"117548"	165.032402	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"552733"	230.063902	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1029189"	100.000902	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1252048"	208.981885	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1310123"	211.037872	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1326525"	233.019829	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"926873"	243.048586	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1301949"	279.025264	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1380110"	95.050324	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1386675"	113.0603	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"285630"	261.133276	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"678779"	391.196276	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1355129"	131.070276	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H"	1.007276
"131299"	131.070276	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"573048"	196.101776	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1042940"	66.038776	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"217407"	87.7159426666667	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"656606"	131.070276	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1177772"	44.3616093333333	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"439602"	278.159823	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"799741"	408.222823	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1696888"	148.096823	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"345324"	139.5835495	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"738487"	204.6150495	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1492379"	74.5520495	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"407091"	283.115218	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"769422"	413.178218	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1617638"	153.052218	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"329500"	142.061247	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"721676"	207.092747	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1475983"	77.029747	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1067526"	51.6889233333333	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1272594"	163.096486	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"392394"	299.089158	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"750957"	429.152158	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1555322"	169.026158	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+K"	38.963158
"313111"	150.048217	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"706625"	215.079717	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1459710"	85.016717	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"247229"	302.159826	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1220667"	172.096826	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1206006"	86.552051	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"202158"	305.09716	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"643181"	435.16016	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1143040"	175.03416	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"187421"	153.052218	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"627714"	218.083718	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1128303"	88.020718	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1412191"	59.0162373333333	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1442849"	177.075746	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"234368"	158.08524	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1522068"	191.12779	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"419200"	161.039188	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"784935"	226.070688	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1676527"	96.007688	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"258672"	324.141768	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1236848"	194.078768	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1728179"	194.102293	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1192918"	66.3435513333333	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1663902"	199.057688	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"172830"	337.04504	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"612149"	467.10804	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1099699"	206.98204	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"156995"	169.026158	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"594870"	234.057658	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1084089"	103.994658	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1115380"	208.996592	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1350067"	209.084207	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1018590"	213.123376	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1538905"	214.117008	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1005353"	107.065326	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1600952"	215.031628	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1427707"	245.063138	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1161276"	127.578601	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1711917"	262.089685	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1643195"	267.04508	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1581034"	283.01902	"C02129"	"5-Oxohexanoic acid;5-Oxohexanoate;4-Acetylbutyric acid"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"804839"	384.1268	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M"	0
"978371"	365.10841	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-H2O-H"	-19.01839
"64426"	255.077257333333	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M-3H"	-3.021828
"507267"	383.119524	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M-3H"	-3.021828
"894064"	127.034990666667	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-3H"	-3.021828
"14099"	383.119524	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M-2H"	-2.014552
"454715"	575.182924	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M-2H"	-2.014552
"830131"	191.056124	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-2H"	-2.014552
"90487"	767.246324	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M-H"	-1.007276
"529319"	1151.373124	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M-H"	-1.007276
"906393"	383.119524	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-H"	-1.007276
"57851"	784.272871	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M-2H+NH4"	16.019271
"499232"	1168.399671	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M-2H+NH4"	16.019271
"877029"	400.146071	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-2H+NH4"	16.019271
"43473"	789.228266	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M-2H+Na"	20.974666
"481939"	1173.355066	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M-2H+Na"	20.974666
"854273"	405.101466	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-2H+Na"	20.974666
"1623806"	405.101466	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Na-2H"	20.974666
"95961"	401.107863	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M-H+Cl"	33.962126
"539894"	593.171263	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M-H+Cl"	33.962126
"930130"	209.044463	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-H+Cl"	33.962126
"268685"	803.223002	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+Cl"	34.969402
"663295"	1187.349802	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+Cl"	34.969402
"1275698"	419.096202	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Cl"	34.969402
"18255"	805.202206	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M-2H+K"	36.948606
"457084"	1189.329006	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M-2H+K"	36.948606
"834890"	421.075406	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-2H+K"	36.948606
"1556109"	421.075406	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+K-2H"	36.948606
"950278"	429.124994	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-H+HCOOH"	44.998194
"373601"	813.251801	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+HCOOH-H"	44.998201
"356755"	827.267451	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+Hac-H"	59.013851
"1503400"	443.140651	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Hac-H"	59.013851
"965473"	451.106951	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-H+NaCOOH"	66.980151
"115472"	419.096202	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+2Cl"	69.938804
"550655"	611.159602	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+2Cl"	69.938804
"1025289"	227.032802	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2Cl"	69.938804
"1246326"	463.045685	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Br"	78.918885
"1309139"	465.101672	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Cl+HCOOH"	80.974872
"1326636"	487.083629	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Cl+NaCOOH"	102.956829
"926451"	497.112386	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M-H+CF3COOH"	112.985586
"1299509"	533.089064	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Cl+CF3COOH"	148.962264
"1376941"	349.114124	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H-2H2O"	-35.012676
"1386785"	367.1241	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H-H2O"	-17.0027
"286470"	769.260876	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+H"	1.007276
"678889"	1153.387676	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+H"	1.007276
"1354508"	385.134076	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H"	1.007276
"130315"	385.134076	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+2H"	2.014552
"569878"	577.197476	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+2H"	2.014552
"1043050"	193.070676	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2H"	2.014552
"214601"	257.091809333333	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+3H"	3.021828
"656716"	385.134076	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+3H"	3.021828
"1176300"	129.049542666667	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+3H"	3.021828
"439219"	786.287423	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+NH4"	18.033823
"798758"	1170.414223	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+NH4"	18.033823
"1695818"	402.160623	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+NH4"	18.033823
"343367"	393.6473495	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+H+NH4"	19.041099
"738181"	585.7107495	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+H+NH4"	19.041099
"1491313"	201.5839495	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H+NH4"	19.041099
"406109"	791.242818	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+Na"	22.989218
"767828"	1175.369618	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+Na"	22.989218
"1616653"	407.116018	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Na"	22.989218
"326690"	396.125047	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+H+Na"	23.996494
"718383"	588.188447	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+H+Na"	23.996494
"1474754"	204.061647	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H+Na"	23.996494
"1065447"	136.376856666667	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2H+Na"	25.00377
"1270042"	417.160286	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+CH3OH+H"	33.033486
"386793"	807.216758	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+K"	38.963158
"751069"	1191.343558	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+K"	38.963158
"1552028"	423.089958	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+K"	38.963158
"311393"	404.112017	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+H+K"	39.970434
"706002"	596.175417	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+H+K"	39.970434
"1458726"	212.048617	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H+K"	39.970434
"247706"	810.287426	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+ACN+H"	42.033826
"1221506"	426.160626	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+ACN+H"	42.033826
"1207575"	213.583951	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+ACN+2H"	43.041102
"201540"	813.22476	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+2Na-H"	44.97116
"641466"	1197.35156	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+2Na-H"	44.97116
"1144244"	429.09796	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2Na-H"	44.97116
"186438"	407.116018	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+2Na"	45.978436
"627094"	599.179418	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+2Na"	45.978436
"1127320"	215.052618	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2Na"	45.978436
"1413031"	143.704170666667	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H+2Na"	46.985712
"1439680"	431.139546	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H+HCOOH"	47.012746
"233385"	412.14904	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+3H2O+2H"	56.04448
"1521811"	445.19159	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+IsoProp+H"	61.06479
"421497"	415.102988	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+Na+K"	61.952376
"784679"	607.166388	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+Na+K"	61.952376
"1675544"	223.039588	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Na+K"	61.952376
"257689"	832.269368	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+ACN+Na"	64.015768
"1233679"	448.142568	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+ACN+Na"	64.015768
"1726588"	448.166093	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+NH4+HCOOH"	64.039293
"1193962"	151.031484666667	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+3Na"	68.967654
"1663283"	453.121488	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Na+HCOOH"	68.994688
"172458"	845.17264	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+2K-H"	76.91904
"612019"	1229.29944	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+2K-H"	76.91904
"1099201"	461.04584	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2K-H"	76.91904
"156384"	423.089958	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"2M+2K"	77.926316
"595582"	615.153358	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"3M+2K"	77.926316
"1082764"	231.026558	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2K"	77.926316
"1113788"	463.060392	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2K+H"	78.933592
"1348352"	463.148007	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+DMSO+H"	79.021207
"1019794"	467.187176	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2ACN+H"	83.060376
"1537197"	468.180808	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+IsoProp+Na+H"	84.054008
"1001093"	234.097226	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+2ACN+2H"	84.067652
"1599969"	469.095428	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+K+HCOOH"	84.968628
"1425631"	499.126938	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+H+CF3COOH"	115.000138
"1159199"	254.610501	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+3ACN+2H"	125.094202
"1710571"	516.153485	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+NH4+CF3COOH"	132.026685
"1640024"	521.10888	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+Na+CF3COOH"	136.98208
"1581144"	537.08282	"C02130"	"Acetyl-maltose;6-O-Acetyl-alpha-D-glucopyranosyl-(1-4)-D-glucose"	"C14H24O12"	"384.1268"	"M+K+CF3COOH"	152.95602
"816828"	172.1324	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M"	0
"986138"	153.11401	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-H2O-H"	-19.01839
"72193"	113.747657333333	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M-3H"	-3.021828
"512847"	171.125124	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M-3H"	-3.021828
"893931"	56.3701906666667	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-3H"	-3.021828
"14704"	171.125124	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M-2H"	-2.014552
"455433"	257.191324	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M-2H"	-2.014552
"831333"	85.058924	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-2H"	-2.014552
"89870"	343.257524	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M-H"	-1.007276
"530526"	515.389924	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M-H"	-1.007276
"906866"	171.125124	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-H"	-1.007276
"59785"	360.284071	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M-2H+NH4"	16.019271
"499708"	532.416471	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M-2H+NH4"	16.019271
"877754"	188.151671	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-2H+NH4"	16.019271
"44677"	365.239466	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M-2H+Na"	20.974666
"477676"	537.371866	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M-2H+Na"	20.974666
"849642"	193.107066	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-2H+Na"	20.974666
"1620637"	193.107066	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Na-2H"	20.974666
"94979"	189.113463	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M-H+Cl"	33.962126
"538911"	275.179663	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M-H+Cl"	33.962126
"928292"	103.047263	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-H+Cl"	33.962126
"268188"	379.234202	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+Cl"	34.969402
"662311"	551.366602	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+Cl"	34.969402
"1274470"	207.101802	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Cl"	34.969402
"18365"	381.213406	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M-2H+K"	36.948606
"456586"	553.345806	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M-2H+K"	36.948606
"834636"	209.081006	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-2H+K"	36.948606
"1555733"	209.081006	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+K-2H"	36.948606
"950752"	217.130594	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-H+HCOOH"	44.998194
"375168"	389.263001	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+HCOOH-H"	44.998201
"357958"	403.278651	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+Hac-H"	59.013851
"1505332"	231.146251	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Hac-H"	59.013851
"965583"	239.112551	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-H+NaCOOH"	66.980151
"117768"	207.101802	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+2Cl"	69.938804
"552953"	293.168002	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+2Cl"	69.938804
"1025763"	121.035602	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2Cl"	69.938804
"1247165"	251.051285	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Br"	78.918885
"1308885"	253.107272	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Cl+HCOOH"	80.974872
"1327839"	275.089229	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Cl+NaCOOH"	102.956829
"924734"	285.117986	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M-H+CF3COOH"	112.985586
"1299255"	321.094664	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Cl+CF3COOH"	148.962264
"1375955"	137.119724	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H-2H2O"	-35.012676
"1389082"	155.1297	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H-H2O"	-17.0027
"287673"	345.272076	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+H"	1.007276
"678634"	517.404476	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+H"	1.007276
"1353525"	173.139676	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H"	1.007276
"129332"	173.139676	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+2H"	2.014552
"568895"	259.205876	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+2H"	2.014552
"1043160"	87.073476	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2H"	2.014552
"205718"	115.762209333333	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+3H"	3.021828
"658289"	173.139676	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+3H"	3.021828
"1176048"	58.3847426666667	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+3H"	3.021828
"439208"	362.298623	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+NH4"	18.033823
"800206"	534.431023	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+NH4"	18.033823
"1695564"	190.166223	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+NH4"	18.033823
"344205"	181.6529495	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+H+NH4"	19.041099
"736263"	267.7191495	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+H+NH4"	19.041099
"1490450"	95.5867495	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H+NH4"	19.041099
"404756"	367.254018	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+Na"	22.989218
"766845"	539.386418	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+Na"	22.989218
"1614944"	195.121618	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Na"	22.989218
"325710"	184.130647	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+H+Na"	23.996494
"719587"	270.196847	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+H+Na"	23.996494
"1474501"	98.064447	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H+Na"	23.996494
"1064468"	65.7120566666667	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2H+Na"	25.00377
"1271695"	205.165886	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+CH3OH+H"	33.033486
"392294"	383.227958	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+K"	38.963158
"753367"	555.360358	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+K"	38.963158
"1552139"	211.095558	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+K"	38.963158
"309317"	192.117617	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+H+K"	39.970434
"703924"	278.183817	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+H+K"	39.970434
"1455561"	106.051417	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H+K"	39.970434
"247816"	386.298626	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+ACN+H"	42.033826
"1223805"	214.166226	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+ACN+H"	42.033826
"1204042"	107.586751	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+ACN+2H"	43.041102
"202382"	389.23596	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+2Na-H"	44.97116
"641941"	561.36836	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+2Na-H"	44.97116
"1145449"	217.10356	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2Na-H"	44.97116
"181085"	195.121618	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+2Na"	45.978436
"626476"	281.187818	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+2Na"	45.978436
"1127795"	109.055418	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2Na"	45.978436
"1409496"	73.0393706666667	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H+2Na"	46.985712
"1445016"	219.145146	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H+HCOOH"	47.012746
"235488"	200.15464	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+3H2O+2H"	56.04448
"1523951"	233.19719	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+IsoProp+H"	61.06479
"424171"	203.108588	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+Na+K"	61.952376
"783331"	289.174788	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+Na+K"	61.952376
"1680961"	117.042388	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Na+K"	61.952376
"266511"	408.280568	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+ACN+Na"	64.015768
"1236704"	236.148168	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+ACN+Na"	64.015768
"1727066"	236.171693	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+NH4+HCOOH"	64.039293
"1192421"	80.3666846666667	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+3Na"	68.967654
"1663406"	241.127088	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Na+HCOOH"	68.994688
"170992"	421.18384	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+2K-H"	76.91904
"611644"	593.31624	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+2K-H"	76.91904
"1096892"	249.05144	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2K-H"	76.91904
"153343"	211.095558	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"2M+2K"	77.926316
"592902"	297.161758	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"3M+2K"	77.926316
"1080693"	125.029358	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2K"	77.926316
"1110991"	251.065992	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2K+H"	78.933592
"1348469"	251.153607	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+DMSO+H"	79.021207
"1017362"	255.192776	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2ACN+H"	83.060376
"1537311"	256.186408	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+IsoProp+Na+H"	84.054008
"1003028"	128.100026	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+2ACN+2H"	84.067652
"1601541"	257.101028	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+K+HCOOH"	84.968628
"1429390"	287.132538	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+H+CF3COOH"	115.000138
"1159312"	148.613301	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+3ACN+2H"	125.094202
"1712142"	304.159085	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+NH4+CF3COOH"	132.026685
"1643415"	309.11448	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+Na+CF3COOH"	136.98208
"1581254"	325.08842	"C02131"	"Acetylagmatine"	"C7H16N4O"	"172.1324"	"M+K+CF3COOH"	152.95602
"810528"	130.0266	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M"	0
"981873"	111.00821	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-H2O-H"	-19.01839
"64647"	85.677124	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M-3H"	-3.021828
"511862"	129.019324	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M-3H"	-3.021828
"892582"	42.334924	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-3H"	-3.021828
"14440"	129.019324	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M-2H"	-2.014552
"453273"	194.032624	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M-2H"	-2.014552
"826699"	64.006024	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-2H"	-2.014552
"92167"	259.045924	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M-H"	-1.007276
"533432"	389.072524	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M-H"	-1.007276
"908071"	129.019324	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-H"	-1.007276
"59531"	276.072471	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M-2H+NH4"	16.019271
"500548"	406.099071	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M-2H+NH4"	16.019271
"878350"	146.045871	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-2H+NH4"	16.019271
"44060"	281.027866	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M-2H+Na"	20.974666
"481066"	411.054466	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M-2H+Na"	20.974666
"852308"	151.001266	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-2H+Na"	20.974666
"1621840"	151.001266	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Na-2H"	20.974666
"97276"	147.007663	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M-H+Cl"	33.962126
"541208"	212.020963	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M-H+Cl"	33.962126
"930350"	81.994363	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-H+Cl"	33.962126
"267931"	295.022602	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+Cl"	34.969402
"662421"	425.049202	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+Cl"	34.969402
"1273727"	164.996002	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Cl"	34.969402
"16895"	297.001806	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M-2H+K"	36.948606
"457426"	427.028406	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M-2H+K"	36.948606
"834746"	166.975206	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-2H+K"	36.948606
"1558235"	166.975206	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+K-2H"	36.948606
"949039"	175.024794	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-H+HCOOH"	44.998194
"375278"	305.051401	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+HCOOH-H"	44.998201
"356975"	319.067051	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+Hac-H"	59.013851
"1501434"	189.040451	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Hac-H"	59.013851
"966057"	197.006751	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-H+NaCOOH"	66.980151
"116785"	164.996002	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+2Cl"	69.938804
"553063"	230.009302	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+2Cl"	69.938804
"1027696"	99.982702	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2Cl"	69.938804
"1249098"	208.945485	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Br"	78.918885
"1311546"	211.001472	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Cl+HCOOH"	80.974872
"1327949"	232.983429	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Cl+NaCOOH"	102.956829
"923022"	243.012186	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M-H+CF3COOH"	112.985586
"1294626"	278.988864	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Cl+CF3COOH"	148.962264
"1376065"	95.013924	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H-2H2O"	-35.012676
"1388098"	113.0239	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H-H2O"	-17.0027
"286690"	261.060476	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+H"	1.007276
"677650"	391.087076	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+H"	1.007276
"1354728"	131.033876	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H"	1.007276
"129806"	131.033876	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+2H"	2.014552
"569005"	196.047176	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+2H"	2.014552
"1043270"	66.020576	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2H"	2.014552
"206072"	87.691676	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+3H"	3.021828
"656213"	131.033876	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+3H"	3.021828
"1175430"	44.349476	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+3H"	3.021828
"438588"	278.087023	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+NH4"	18.033823
"799707"	408.113623	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+NH4"	18.033823
"1695674"	148.060423	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+NH4"	18.033823
"342859"	139.5471495	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+H+NH4"	19.041099
"735645"	204.5604495	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+H+NH4"	19.041099
"1490558"	74.5338495	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H+NH4"	19.041099
"407783"	283.042418	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+Na"	22.989218
"767685"	413.069018	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+Na"	22.989218
"1617971"	153.015818	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Na"	22.989218
"329463"	142.024847	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+H+Na"	23.996494
"722251"	207.038147	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+H+Na"	23.996494
"1475949"	77.011547	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H+Na"	23.996494
"1064579"	51.67679	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2H+Na"	25.00377
"1271725"	163.060086	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+CH3OH+H"	33.033486
"391756"	299.016358	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+K"	38.963158
"752383"	429.042958	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+K"	38.963158
"1552249"	168.989758	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+K"	38.963158
"312707"	150.011817	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+H+K"	39.970434
"700752"	215.025117	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+H+K"	39.970434
"1457857"	84.998517	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H+K"	39.970434
"249748"	302.087026	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+ACN+H"	42.033826
"1223914"	172.060426	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+ACN+H"	42.033826
"1205972"	86.533851	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+ACN+2H"	43.041102
"203584"	305.02436	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+2Na-H"	44.97116
"643673"	435.05096	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+2Na-H"	44.97116
"1146534"	174.99776	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2Na-H"	44.97116
"186299"	153.015818	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+2Na"	45.978436
"627926"	218.029118	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+2Na"	45.978436
"1130092"	88.002518	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2Na"	45.978436
"1411792"	59.004104	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H+2Na"	46.985712
"1445470"	177.039346	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H+HCOOH"	47.012746
"235437"	158.04884	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+3H2O+2H"	56.04448
"1523616"	191.09139	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+IsoProp+H"	61.06479
"423426"	161.002788	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+Na+K"	61.952376
"783686"	226.016088	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+Na+K"	61.952376
"1680910"	95.989488	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Na+K"	61.952376
"265932"	324.068968	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+ACN+Na"	64.015768
"1236085"	194.042368	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+ACN+Na"	64.015768
"1726810"	194.065893	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+NH4+HCOOH"	64.039293
"1192895"	66.331418	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+3Na"	68.967654
"1662058"	199.021288	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Na+HCOOH"	68.994688
"171951"	336.97224	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+2K-H"	76.91904
"611754"	466.99884	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+2K-H"	76.91904
"1097002"	206.94564	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2K-H"	76.91904
"153089"	168.989758	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"2M+2K"	77.926316
"594955"	234.003058	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"3M+2K"	77.926316
"1080803"	103.976458	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2K"	77.926316
"1111465"	208.960192	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2K+H"	78.933592
"1347484"	209.047807	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+DMSO+H"	79.021207
"1018563"	213.086976	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2ACN+H"	83.060376
"1537418"	214.080608	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+IsoProp+Na+H"	84.054008
"1003502"	107.047126	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+2ACN+2H"	84.067652
"1600559"	214.995228	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+K+HCOOH"	84.968628
"1428406"	245.026738	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+H+CF3COOH"	115.000138
"1160513"	127.560401	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+3ACN+2H"	125.094202
"1711886"	262.053285	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+NH4+CF3COOH"	132.026685
"1643525"	267.00868	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+Na+CF3COOH"	136.98208
"1581364"	282.98262	"C02132"	"Acetylpyruvate;Acetylpyruvic acid;24-Dioxopentanoate"	"C5H6O4"	"130.0266"	"M+K+CF3COOH"	152.95602
"810639"	369.1576	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M"	0
"979798"	350.13921	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-H2O-H"	-19.01839
"77883"	245.097790666667	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M-3H"	-3.021828
"518218"	368.150324	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M-3H"	-3.021828
"895293"	122.045257333333	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-3H"	-3.021828
"15557"	368.150324	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M-2H"	-2.014552
"453017"	552.729124	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M-2H"	-2.014552
"825722"	183.571524	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-2H"	-2.014552
"92276"	737.307924	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M-H"	-1.007276
"532567"	1106.465524	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M-H"	-1.007276
"910003"	368.150324	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-H"	-1.007276
"61462"	754.334471	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M-2H+NH4"	16.019271
"500291"	1123.492071	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M-2H+NH4"	16.019271
"874447"	385.176871	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-2H+NH4"	16.019271
"42347"	759.289866	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M-2H+Na"	20.974666
"472064"	1128.447466	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M-2H+Na"	20.974666
"852419"	390.132266	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-2H+Na"	20.974666
"1621951"	390.132266	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Na-2H"	20.974666
"95198"	386.138663	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M-H+Cl"	33.962126
"538038"	570.717463	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M-H+Cl"	33.962126
"928272"	201.559863	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-H+Cl"	33.962126
"269014"	773.284602	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+Cl"	34.969402
"661068"	1142.442202	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+Cl"	34.969402
"1279312"	404.127002	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Cl"	34.969402
"19680"	775.263806	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M-2H+K"	36.948606
"467991"	1144.421406	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M-2H+K"	36.948606
"843606"	406.106206	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-2H+K"	36.948606
"1568195"	406.106206	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+K-2H"	36.948606
"954988"	414.155794	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-H+HCOOH"	44.998194
"374296"	783.313401	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+HCOOH-H"	44.998201
"354897"	797.329051	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+Hac-H"	59.013851
"1504827"	428.171451	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Hac-H"	59.013851
"966897"	436.137751	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-H+NaCOOH"	66.980151
"116896"	404.127002	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+2Cl"	69.938804
"556461"	588.705802	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+2Cl"	69.938804
"1028541"	219.548202	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2Cl"	69.938804
"1247022"	448.076485	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Br"	78.918885
"1310564"	450.132472	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Cl+HCOOH"	80.974872
"1333535"	472.114429	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Cl+NaCOOH"	102.956829
"918028"	482.143186	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M-H+CF3COOH"	112.985586
"1295830"	518.119864	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Cl+CF3COOH"	148.962264
"1377640"	334.144924	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H-2H2O"	-35.012676
"1393678"	352.1549	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H-H2O"	-17.0027
"291905"	739.322476	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+H"	1.007276
"683596"	1108.480076	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+H"	1.007276
"1359217"	370.164876	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H"	1.007276
"128463"	370.164876	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+2H"	2.014552
"571302"	554.743676	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+2H"	2.014552
"1049219"	185.586076	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2H"	2.014552
"219441"	247.112342666667	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+3H"	3.021828
"659247"	370.164876	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+3H"	3.021828
"1176636"	124.059809333333	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+3H"	3.021828
"437723"	756.349023	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+NH4"	18.033823
"799816"	1125.506623	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+NH4"	18.033823
"1696148"	387.191423	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+NH4"	18.033823
"344793"	378.6781495	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+H+NH4"	19.041099
"737984"	563.2569495	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+H+NH4"	19.041099
"1491764"	194.0993495	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H+NH4"	19.041099
"408218"	761.304418	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+Na"	22.989218
"767432"	1130.462018	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+Na"	22.989218
"1617353"	392.146818	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Na"	22.989218
"328479"	381.155847	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+H+Na"	23.996494
"720904"	565.734647	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+H+Na"	23.996494
"1474723"	196.577047	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H+Na"	23.996494
"1066508"	131.387123333333	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2H+Na"	25.00377
"1272443"	402.191086	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+CH3OH+H"	33.033486
"392597"	777.278358	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+K"	38.963158
"753227"	1146.435958	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+K"	38.963158
"1554185"	408.120758	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+K"	38.963158
"313184"	389.142817	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+H+K"	39.970434
"706870"	573.721617	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+H+K"	39.970434
"1458706"	204.564017	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H+K"	39.970434
"250104"	780.349026	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+ACN+H"	42.033826
"1222564"	411.191426	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+ACN+H"	42.033826
"1209736"	206.099351	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+ACN+2H"	43.041102
"203330"	783.28636	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+2Na-H"	44.97116
"642163"	1152.44396	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+2Na-H"	44.97116
"1138016"	414.12876	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2Na-H"	44.97116
"178024"	392.146818	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+2Na"	45.978436
"627184"	576.725618	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+2Na"	45.978436
"1129474"	207.568018	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2Na"	45.978436
"1413610"	138.714437333333	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H+2Na"	46.985712
"1445113"	416.170346	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H+HCOOH"	47.012746
"234810"	397.17984	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+3H2O+2H"	56.04448
"1523237"	430.22239	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+IsoProp+H"	61.06479
"423772"	400.133788	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+Na+K"	61.952376
"784653"	584.712588	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+Na+K"	61.952376
"1680254"	215.554988	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Na+K"	61.952376
"266494"	802.330968	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+ACN+Na"	64.015768
"1240940"	433.173368	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+ACN+Na"	64.015768
"1728014"	433.196893	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+NH4+HCOOH"	64.039293
"1193816"	146.041751333333	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+3Na"	68.967654
"1664962"	438.152288	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Na+HCOOH"	68.994688
"171461"	815.23424	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+2K-H"	76.91904
"610410"	1184.39184	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+2K-H"	76.91904
"1097476"	446.07664	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2K-H"	76.91904
"155382"	408.120758	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"2M+2K"	77.926316
"594579"	592.699558	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"3M+2K"	77.926316
"1080918"	223.541958	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2K"	77.926316
"1113397"	448.091192	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2K+H"	78.933592
"1348686"	448.178807	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+DMSO+H"	79.021207
"1019041"	452.217976	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2ACN+H"	83.060376
"1538624"	453.211608	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+IsoProp+Na+H"	84.054008
"1004950"	226.612626	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+2ACN+2H"	84.067652
"1601638"	454.126228	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+K+HCOOH"	84.968628
"1428149"	484.157738	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+H+CF3COOH"	115.000138
"1162569"	247.125901	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+3ACN+2H"	125.094202
"1706892"	501.184285	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+NH4+CF3COOH"	132.026685
"1638168"	506.13968	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+Na+CF3COOH"	136.98208
"1573820"	522.11362	"C02134"	"Allocryptopine"	"C21H23NO5"	"369.1576"	"M+K+CF3COOH"	152.95602
"805281"	1045.5345	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M"	0
"978813"	1026.51611	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-H2O-H"	-19.01839
"72524"	696.015724	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M-3H"	-3.021828
"517553"	1044.527224	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M-3H"	-3.021828
"894873"	347.504224	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-3H"	-3.021828
"12474"	1044.527224	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M-2H"	-2.014552
"450211"	1567.294474	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M-2H"	-2.014552
"823645"	521.759974	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-2H"	-2.014552
"92023"	2090.061724	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M-H"	-1.007276
"532676"	3135.596224	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M-H"	-1.007276
"909384"	1044.527224	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-H"	-1.007276
"61572"	2107.088271	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M-2H+NH4"	16.019271
"500037"	3152.622771	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M-2H+NH4"	16.019271
"874193"	1061.553771	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-2H+NH4"	16.019271
"39541"	2112.043666	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M-2H+Na"	20.974666
"472782"	3157.578166	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M-2H+Na"	20.974666
"850342"	1066.509166	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-2H+Na"	20.974666
"1620968"	1066.509166	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Na-2H"	20.974666
"94619"	1062.515563	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M-H+Cl"	33.962126
"538148"	1585.282813	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M-H+Cl"	33.962126
"928382"	539.748313	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-H+Cl"	33.962126
"268029"	2126.038402	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+Cl"	34.969402
"662639"	3171.572902	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+Cl"	34.969402
"1272917"	1080.503902	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Cl"	34.969402
"19790"	2128.017606	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M-2H+K"	36.948606
"467737"	3173.552106	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M-2H+K"	36.948606
"842623"	1082.483106	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-2H+K"	36.948606
"1567212"	1082.483106	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+K-2H"	36.948606
"957285"	1090.532694	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-H+HCOOH"	44.998194
"375498"	2136.067201	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+HCOOH-H"	44.998201
"355007"	2150.082851	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+Hac-H"	59.013851
"1498370"	1104.548351	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Hac-H"	59.013851
"968100"	1112.514651	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-H+NaCOOH"	66.980151
"114090"	1080.503902	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+2Cl"	69.938804
"556571"	1603.271152	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+2Cl"	69.938804
"1030837"	557.736652	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2Cl"	69.938804
"1247132"	1124.453385	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Br"	78.918885
"1307756"	1126.509372	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Cl+HCOOH"	80.974872
"1334373"	1148.491329	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Cl+NaCOOH"	102.956829
"918138"	1158.520086	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M-H+CF3COOH"	112.985586
"1297033"	1194.496764	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Cl+CF3COOH"	148.962264
"1378478"	1010.521824	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H-2H2O"	-35.012676
"1387225"	1028.5318	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H-H2O"	-17.0027
"293472"	2092.076276	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+H"	1.007276
"683706"	3137.610776	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+H"	1.007276
"1355680"	1046.541776	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H"	1.007276
"128573"	1046.541776	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+2H"	2.014552
"571412"	1569.309026	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+2H"	2.014552
"1049329"	523.774526	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2H"	2.014552
"219756"	698.030276	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+3H"	3.021828
"658630"	1046.541776	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+3H"	3.021828
"1178050"	349.518776	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+3H"	3.021828
"436740"	2109.102823	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+NH4"	18.033823
"799561"	3154.637323	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+NH4"	18.033823
"1695410"	1063.568323	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+NH4"	18.033823
"343445"	1055.0550495	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+H+NH4"	19.041099
"735869"	1577.8222995	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+H+NH4"	19.041099
"1489689"	532.2877995	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H+NH4"	19.041099
"406183"	2114.058218	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+Na"	22.989218
"761707"	3159.592718	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+Na"	22.989218
"1615276"	1068.523718	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Na"	22.989218
"327497"	1057.532747	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+H+Na"	23.996494
"721983"	1580.299997	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+H+Na"	23.996494
"1473734"	534.765497	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H+Na"	23.996494
"1067714"	356.84609	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2H+Na"	25.00377
"1271215"	1078.567986	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+CH3OH+H"	33.033486
"385047"	2130.032158	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+K"	38.963158
"748228"	3175.566658	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+K"	38.963158
"1554658"	1084.497658	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+K"	38.963158
"313537"	1065.519717	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+H+K"	39.970434
"704260"	1588.286967	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+H+K"	39.970434
"1461276"	542.752467	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H+K"	39.970434
"250459"	2133.102826	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+ACN+H"	42.033826
"1224745"	1087.568326	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+ACN+H"	42.033826
"1209111"	544.287801	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+ACN+2H"	43.041102
"203201"	2136.04016	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+2Na-H"	44.97116
"640451"	3181.57466	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+2Na-H"	44.97116
"1140313"	1090.50566	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2Na-H"	44.97116
"179228"	1068.523718	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+2Na"	45.978436
"627661"	1591.290968	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+2Na"	45.978436
"1130561"	545.756468	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2Na"	45.978436
"1413234"	364.173404	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H+2Na"	46.985712
"1444981"	1092.547246	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H+HCOOH"	47.012746
"234070"	1073.55674	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+3H2O+2H"	56.04448
"1521889"	1106.59929	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+IsoProp+H"	61.06479
"422910"	1076.510688	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+Na+K"	61.952376
"784276"	1599.277938	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+Na+K"	61.952376
"1680242"	553.743438	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Na+K"	61.952376
"265788"	2155.084768	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+ACN+Na"	64.015768
"1240200"	1109.550268	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+ACN+Na"	64.015768
"1728212"	1109.573793	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+NH4+HCOOH"	64.039293
"1194116"	371.500718	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+3Na"	68.967654
"1665439"	1114.529188	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Na+HCOOH"	68.994688
"172055"	2167.98804	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+2K-H"	76.91904
"610522"	3213.52254	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+2K-H"	76.91904
"1098192"	1122.45354	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2K-H"	76.91904
"154399"	1084.497658	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"2M+2K"	77.926316
"593964"	1607.264908	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"3M+2K"	77.926316
"1079933"	561.730408	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2K"	77.926316
"1113143"	1124.468092	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2K+H"	78.933592
"1350822"	1124.555707	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+DMSO+H"	79.021207
"1020489"	1128.594876	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2ACN+H"	83.060376
"1539586"	1129.588508	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+IsoProp+Na+H"	84.054008
"1003723"	564.801076	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+2ACN+2H"	84.067652
"1601503"	1130.503128	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+K+HCOOH"	84.968628
"1428624"	1160.534638	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+H+CF3COOH"	115.000138
"1162727"	585.314351	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+3ACN+2H"	125.094202
"1707002"	1177.561185	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+NH4+CF3COOH"	132.026685
"1640465"	1182.51658	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+Na+CF3COOH"	136.98208
"1572837"	1198.49052	"C02135"	"Angiotensin II;Angiotensin;Angiotonin;Hypertensin"	"C50H71N13O12"	"1045.5345"	"M+K+CF3COOH"	152.95602
"811952"	150.0317	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M"	0
"982204"	131.01331	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-H2O-H"	-19.01839
"75916"	99.0138573333333	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M-3H"	-3.021828
"518271"	149.024424	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M-3H"	-3.021828
"894258"	49.0032906666667	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-3H"	-3.021828
"11855"	149.024424	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M-2H"	-2.014552
"454707"	224.040274	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M-2H"	-2.014552
"831048"	74.008574	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-2H"	-2.014552
"91401"	299.056124	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M-H"	-1.007276
"529870"	449.087824	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M-H"	-1.007276
"909740"	149.024424	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-H"	-1.007276
"61564"	316.082671	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M-2H+NH4"	16.019271
"500756"	466.114371	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M-2H+NH4"	16.019271
"877710"	166.050971	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-2H+NH4"	16.019271
"45610"	321.038066	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M-2H+Na"	20.974666
"485774"	471.069766	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M-2H+Na"	20.974666
"861754"	171.006366	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-2H+Na"	20.974666
"1631286"	171.006366	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Na-2H"	20.974666
"100889"	167.012763	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M-H+Cl"	33.962126
"538262"	242.028613	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M-H+Cl"	33.962126
"931776"	91.996913	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-H+Cl"	33.962126
"269238"	335.032802	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+Cl"	34.969402
"661048"	485.064502	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+Cl"	34.969402
"1273569"	185.001102	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Cl"	34.969402
"23183"	337.012006	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M-2H+K"	36.948606
"463836"	487.043706	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M-2H+K"	36.948606
"843826"	186.980306	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-2H+K"	36.948606
"1567329"	186.980306	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+K-2H"	36.948606
"955213"	195.029894	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-H+HCOOH"	44.998194
"376305"	345.061601	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+HCOOH-H"	44.998201
"358405"	359.077251	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+Hac-H"	59.013851
"1505415"	209.045551	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Hac-H"	59.013851
"970405"	217.011851	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-H+NaCOOH"	66.980151
"125230"	185.001102	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+2Cl"	69.938804
"562519"	260.016952	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+2Cl"	69.938804
"1033141"	109.985252	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2Cl"	69.938804
"1253444"	228.950585	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Br"	78.918885
"1316989"	231.006572	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Cl+HCOOH"	80.974872
"1328283"	252.988529	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Cl+NaCOOH"	102.956829
"917153"	263.017286	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M-H+CF3COOH"	112.985586
"1290944"	298.993964	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Cl+CF3COOH"	148.962264
"1376402"	115.019024	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H-2H2O"	-35.012676
"1394992"	133.029	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H-H2O"	-17.0027
"293584"	301.070676	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+H"	1.007276
"680538"	451.102376	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+H"	1.007276
"1353607"	151.038976	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H"	1.007276
"135245"	151.038976	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+2H"	2.014552
"569338"	226.054826	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+2H"	2.014552
"1038861"	76.023126	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2H"	2.014552
"219300"	101.028409333333	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+3H"	3.021828
"658742"	151.038976	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+3H"	3.021828
"1177916"	51.0178426666667	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+3H"	3.021828
"438797"	318.097223	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+NH4"	18.033823
"799547"	468.128923	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+NH4"	18.033823
"1694791"	168.065523	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+NH4"	18.033823
"344772"	159.5522495	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+H+NH4"	19.041099
"736708"	234.5680995	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+H+NH4"	19.041099
"1489433"	84.5363995	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H+NH4"	19.041099
"405929"	323.052618	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+Na"	22.989218
"765101"	473.084318	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+Na"	22.989218
"1613197"	173.020918	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Na"	22.989218
"326883"	162.029947	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+H+Na"	23.996494
"719665"	237.045797	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+H+Na"	23.996494
"1474938"	87.014097	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H+Na"	23.996494
"1067584"	58.3451566666667	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2H+Na"	25.00377
"1270714"	183.065186	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+CH3OH+H"	33.033486
"389532"	339.026558	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+K"	38.963158
"752964"	489.058258	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+K"	38.963158
"1553315"	188.994858	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+K"	38.963158
"313045"	170.016917	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+H+K"	39.970434
"704370"	245.032767	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+H+K"	39.970434
"1453823"	95.001067	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H+K"	39.970434
"244612"	342.097226	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+ACN+H"	42.033826
"1216225"	192.065526	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+ACN+H"	42.033826
"1206668"	96.536401	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+ACN+2H"	43.041102
"199906"	345.03456	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+2Na-H"	44.97116
"642142"	495.06626	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+2Na-H"	44.97116
"1146500"	195.00286	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2Na-H"	44.97116
"185414"	173.020918	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+2Na"	45.978436
"622180"	248.036768	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+2Na"	45.978436
"1127872"	98.005068	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2Na"	45.978436
"1413589"	65.6724706666667	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H+2Na"	46.985712
"1444855"	197.044446	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H+HCOOH"	47.012746
"232114"	178.05394	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+3H2O+2H"	56.04448
"1523829"	211.09649	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+IsoProp+H"	61.06479
"423268"	181.007888	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+Na+K"	61.952376
"784884"	256.023738	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+Na+K"	61.952376
"1679395"	105.992038	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Na+K"	61.952376
"266517"	364.079168	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+ACN+Na"	64.015768
"1240204"	214.047468	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+ACN+Na"	64.015768
"1727836"	214.070993	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+NH4+HCOOH"	64.039293
"1193108"	72.9997846666667	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+3Na"	68.967654
"1664943"	219.026388	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Na+HCOOH"	68.994688
"171674"	376.98244	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+2K-H"	76.91904
"608810"	527.01414	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+2K-H"	76.91904
"1096238"	226.95074	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2K-H"	76.91904
"152689"	188.994858	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"2M+2K"	77.926316
"595167"	264.010708	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"3M+2K"	77.926316
"1080043"	113.979008	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2K"	77.926316
"1111066"	228.965292	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2K+H"	78.933592
"1349273"	229.052907	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+DMSO+H"	79.021207
"1019989"	233.092076	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2ACN+H"	83.060376
"1539209"	234.085708	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+IsoProp+Na+H"	84.054008
"1005049"	117.049676	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+2ACN+2H"	84.067652
"1600887"	235.000328	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+K+HCOOH"	84.968628
"1429546"	265.031838	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+H+CF3COOH"	115.000138
"1162181"	137.562951	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+3ACN+2H"	125.094202
"1711484"	282.058385	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+NH4+CF3COOH"	132.026685
"1639481"	287.01378	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+Na+CF3COOH"	136.98208
"1572947"	302.98772	"C02137"	"alpha-Oxo-benzeneacetic acid;Benzoylformate;Benzoylformic acid;Phenylglyoxylic acid;Phenylglyoxylate;2-Oxo-2-phenylacetate"	"C8H6O3"	"150.0317"	"M+K+CF3COOH"	152.95602
"805500"	353.1223	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M"	0
"975752"	334.10391	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-H2O-H"	-19.01839
"65087"	234.407590666667	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M-3H"	-3.021828
"516679"	352.115024	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M-3H"	-3.021828
"895094"	116.700157333333	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-3H"	-3.021828
"10507"	352.115024	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M-2H"	-2.014552
"455053"	528.676174	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M-2H"	-2.014552
"832008"	175.553874	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-2H"	-2.014552
"92239"	705.237324	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M-H"	-1.007276
"531801"	1058.359624	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M-H"	-1.007276
"909602"	352.115024	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-H"	-1.007276
"61673"	722.263871	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M-2H+NH4"	16.019271
"500986"	1075.386171	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M-2H+NH4"	16.019271
"875871"	369.141571	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-2H+NH4"	16.019271
"45597"	727.219266	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M-2H+Na"	20.974666
"485521"	1080.341566	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M-2H+Na"	20.974666
"860043"	374.096966	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-2H+Na"	20.974666
"1631030"	374.096966	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Na-2H"	20.974666
"100999"	370.103363	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M-H+Cl"	33.962126
"538372"	546.664513	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M-H+Cl"	33.962126
"931886"	193.542213	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-H+Cl"	33.962126
"270441"	741.214002	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+Cl"	34.969402
"662131"	1094.336302	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+Cl"	34.969402
"1274893"	388.091702	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Cl"	34.969402
"23293"	743.193206	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M-2H+K"	36.948606
"461758"	1096.315506	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M-2H+K"	36.948606
"841749"	390.070906	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-2H+K"	36.948606
"1567428"	390.070906	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+K-2H"	36.948606
"952034"	398.120494	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-H+HCOOH"	44.998194
"376454"	751.242801	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+HCOOH-H"	44.998201
"359609"	765.258451	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+Hac-H"	59.013851
"1506618"	412.136151	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Hac-H"	59.013851
"973066"	420.102451	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-H+NaCOOH"	66.980151
"124406"	388.091702	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+2Cl"	69.938804
"563723"	564.652852	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+2Cl"	69.938804
"1034344"	211.530552	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2Cl"	69.938804
"1253918"	432.041185	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Br"	78.918885
"1318555"	434.097172	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Cl+HCOOH"	80.974872
"1327300"	456.079129	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Cl+NaCOOH"	102.956829
"915805"	466.107886	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M-H+CF3COOH"	112.985586
"1291783"	502.084564	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Cl+CF3COOH"	148.962264
"1376512"	318.109624	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H-2H2O"	-35.012676
"1395102"	336.1196	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H-H2O"	-17.0027
"293694"	707.251876	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+H"	1.007276
"680648"	1060.374176	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+H"	1.007276
"1354809"	354.129576	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H"	1.007276
"135355"	354.129576	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+2H"	2.014552
"569448"	530.690726	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+2H"	2.014552
"1038486"	177.568426	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2H"	2.014552
"219533"	236.422142666667	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+3H"	3.021828
"659207"	354.129576	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+3H"	3.021828
"1177944"	118.714709333333	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+3H"	3.021828
"439392"	724.278423	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+NH4"	18.033823
"799778"	1077.400723	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+NH4"	18.033823
"1696110"	371.156123	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+NH4"	18.033823
"345331"	362.6428495	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+H+NH4"	19.041099
"738032"	539.2039995	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+H+NH4"	19.041099
"1489907"	186.0816995	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H+NH4"	19.041099
"407132"	729.233818	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+Na"	22.989218
"766305"	1082.356118	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+Na"	22.989218
"1615495"	376.111518	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Na"	22.989218
"329180"	365.120547	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+H+Na"	23.996494
"722493"	541.681697	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+H+Na"	23.996494
"1475047"	188.559397	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H+Na"	23.996494
"1067810"	126.042023333333	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2H+Na"	25.00377
"1271796"	386.155786	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+CH3OH+H"	33.033486
"390735"	745.207758	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+K"	38.963158
"752955"	1098.330058	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+K"	38.963158
"1553425"	392.085458	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+K"	38.963158
"312057"	373.107517	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+H+K"	39.970434
"704479"	549.668667	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+H+K"	39.970434
"1448465"	196.546367	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H+K"	39.970434
"245815"	748.278426	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+ACN+H"	42.033826
"1219615"	395.156126	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+ACN+H"	42.033826
"1205685"	198.081701	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+ACN+2H"	43.041102
"202082"	751.21576	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+2Na-H"	44.97116
"643106"	1104.33806	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+2Na-H"	44.97116
"1145886"	398.09346	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2Na-H"	44.97116
"185160"	376.111518	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+2Na"	45.978436
"622290"	552.672668	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+2Na"	45.978436
"1129684"	199.550368	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2Na"	45.978436
"1413948"	133.369337333333	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H+2Na"	46.985712
"1445334"	400.135046	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H+HCOOH"	47.012746
"234297"	381.14454	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+3H2O+2H"	56.04448
"1524000"	414.18709	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+IsoProp+H"	61.06479
"423262"	384.098488	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+Na+K"	61.952376
"784874"	560.659638	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+Na+K"	61.952376
"1679990"	207.537338	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Na+K"	61.952376
"266626"	770.260368	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+ACN+Na"	64.015768
"1240678"	417.138068	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+ACN+Na"	64.015768
"1728106"	417.161593	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+NH4+HCOOH"	64.039293
"1193339"	140.696651333333	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+3Na"	68.967654
"1664930"	422.116988	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Na+HCOOH"	68.994688
"172269"	783.16364	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+2K-H"	76.91904
"608919"	1136.28594	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+2K-H"	76.91904
"1095619"	430.04134	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2K-H"	76.91904
"155352"	392.085458	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"2M+2K"	77.926316
"595277"	568.646608	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"3M+2K"	77.926316
"1081246"	215.524308	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2K"	77.926316
"1112269"	432.055892	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2K+H"	78.933592
"1349382"	432.143507	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+DMSO+H"	79.021207
"1019371"	436.182676	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2ACN+H"	83.060376
"1538954"	437.176308	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+IsoProp+Na+H"	84.054008
"1004671"	218.594976	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+2ACN+2H"	84.067652
"1601848"	438.090928	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+K+HCOOH"	84.968628
"1429451"	468.122438	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+H+CF3COOH"	115.000138
"1162536"	239.108251	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+3ACN+2H"	125.094202
"1710502"	485.148985	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+NH4+CF3COOH"	132.026685
"1641778"	490.10438	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+Na+CF3COOH"	136.98208
"1573057"	506.07832	"C02138"	"Boc-Asn-OPhNO2"	"C15H19N3O7"	"353.1223"	"M+K+CF3COOH"	152.95602
"802330"	614.238	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M"	0
"975862"	595.21961	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-H2O-H"	-19.01839
"65197"	408.484724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M-3H"	-3.021828
"516789"	613.230724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M-3H"	-3.021828
"893746"	203.738724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-3H"	-3.021828
"12804"	613.230724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M-2H"	-2.014552
"455411"	920.349724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M-2H"	-2.014552
"832692"	306.111724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-2H"	-2.014552
"91985"	1227.468724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M-H"	-1.007276
"531548"	1841.706724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M-H"	-1.007276
"908620"	613.230724	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-H"	-1.007276
"61538"	1244.495271	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M-2H+NH4"	16.019271
"501829"	1858.733271	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M-2H+NH4"	16.019271
"875983"	630.257271	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-2H+NH4"	16.019271
"45707"	1249.450666	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M-2H+Na"	20.974666
"484538"	1863.688666	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M-2H+Na"	20.974666
"860881"	635.212666	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-2H+Na"	20.974666
"1630047"	635.212666	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Na-2H"	20.974666
"101108"	631.219063	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M-H+Cl"	33.962126
"539574"	938.338063	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M-H+Cl"	33.962126
"931995"	324.100063	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-H+Cl"	33.962126
"268846"	1263.445402	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+Cl"	34.969402
"662241"	1877.683402	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+Cl"	34.969402
"1273671"	649.207402	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Cl"	34.969402
"18416"	1265.424606	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M-2H+K"	36.948606
"461868"	1879.662606	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M-2H+K"	36.948606
"836385"	651.186606	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-2H+K"	36.948606
"1568267"	651.186606	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+K-2H"	36.948606
"952144"	659.236194	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-H+HCOOH"	44.998194
"375109"	1273.474201	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+HCOOH-H"	44.998201
"358263"	1287.489851	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+Hac-H"	59.013851
"1505634"	673.251851	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Hac-H"	59.013851
"971356"	681.218151	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-H+NaCOOH"	66.980151
"123908"	649.207402	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+2Cl"	69.938804
"562739"	956.326402	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+2Cl"	69.938804
"1035426"	342.088402	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2Cl"	69.938804
"1253665"	693.156885	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Br"	78.918885
"1317208"	695.212872	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Cl+HCOOH"	80.974872
"1328504"	717.194829	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Cl+NaCOOH"	102.956829
"918831"	727.223586	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M-H+CF3COOH"	112.985586
"1294444"	763.200264	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Cl+CF3COOH"	148.962264
"1376622"	579.225324	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H-2H2O"	-35.012676
"1395212"	597.2353	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H-H2O"	-17.0027
"293804"	1229.483276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+H"	1.007276
"680758"	1843.721276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+H"	1.007276
"1354919"	615.245276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H"	1.007276
"129997"	615.245276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+2H"	2.014552
"571744"	922.364276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+2H"	2.014552
"1040540"	308.126276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2H"	2.014552
"218662"	410.499276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+3H"	3.021828
"657856"	615.245276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+3H"	3.021828
"1175985"	205.753276	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+3H"	3.021828
"433789"	1246.509823	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+NH4"	18.033823
"796972"	1860.747823	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+NH4"	18.033823
"1694397"	632.271823	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+NH4"	18.033823
"345433"	623.7585495	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+H+NH4"	19.041099
"738479"	930.8775495	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+H+NH4"	19.041099
"1492654"	316.6395495	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H+NH4"	19.041099
"407241"	1251.465218	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+Na"	22.989218
"766415"	1865.703218	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+Na"	22.989218
"1617790"	637.227218	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Na"	22.989218
"329772"	626.236247	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+H+Na"	23.996494
"722363"	933.355247	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+H+Na"	23.996494
"1474064"	319.117247	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H+Na"	23.996494
"1068287"	213.08059	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2H+Na"	25.00377
"1267895"	647.271486	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+CH3OH+H"	33.033486
"392385"	1267.439158	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+K"	38.963158
"753673"	1881.677158	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+K"	38.963158
"1553899"	653.201158	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+K"	38.963158
"312167"	634.223217	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+H+K"	39.970434
"704589"	941.342217	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+H+K"	39.970434
"1451855"	327.104217	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H+K"	39.970434
"243738"	1270.509826	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+ACN+H"	42.033826
"1222642"	656.271826	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+ACN+H"	42.033826
"1205431"	328.639551	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+ACN+2H"	43.041102
"201219"	1273.44716	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+2Na-H"	44.97116
"641510"	1887.68516	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+2Na-H"	44.97116
"1145869"	659.20916	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2Na-H"	44.97116
"186484"	637.227218	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+2Na"	45.978436
"626902"	944.346218	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+2Na"	45.978436
"1130403"	330.108218	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2Na"	45.978436
"1413321"	220.407904	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H+2Na"	46.985712
"1442639"	661.250746	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H+HCOOH"	47.012746
"234037"	642.26024	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+3H2O+2H"	56.04448
"1523686"	675.30279	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+IsoProp+H"	61.06479
"422881"	645.214188	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+Na+K"	61.952376
"784741"	952.333188	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+Na+K"	61.952376
"1680343"	338.095188	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Na+K"	61.952376
"266738"	1292.491768	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+ACN+Na"	64.015768
"1240299"	678.253768	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+ACN+Na"	64.015768
"1727728"	678.277293	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+NH4+HCOOH"	64.039293
"1193326"	227.735218	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+3Na"	68.967654
"1664919"	683.232688	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Na+HCOOH"	68.994688
"171286"	1305.39504	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+2K-H"	76.91904
"608664"	1919.63304	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+2K-H"	76.91904
"1097552"	691.15704	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2K-H"	76.91904
"153273"	653.201158	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"2M+2K"	77.926316
"595386"	960.320158	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"3M+2K"	77.926316
"1081356"	346.082158	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2K"	77.926316
"1113472"	693.171592	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2K+H"	78.933592
"1350831"	693.259207	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+DMSO+H"	79.021207
"1019480"	697.298376	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2ACN+H"	83.060376
"1538457"	698.292008	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+IsoProp+Na+H"	84.054008
"1003932"	349.152826	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+2ACN+2H"	84.067652
"1601716"	699.206628	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+K+HCOOH"	84.968628
"1429321"	729.238138	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+H+CF3COOH"	115.000138
"1162402"	369.666101	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+3ACN+2H"	125.094202
"1711703"	746.264685	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+NH4+CF3COOH"	132.026685
"1639702"	751.22008	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+Na+CF3COOH"	136.98208
"1573167"	767.19402	"C02139"	"Chlorophyllide;Chlorophyllide a"	"C35H34MgN4O5"	"614.238"	"M+K+CF3COOH"	152.95602
"802440"	346.2144	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M"	0
"976335"	327.19601	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"68586"	229.802324	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"515806"	345.207124	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"893614"	114.397524	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"12186"	345.207124	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"453938"	518.314324	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"831908"	172.099924	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"92095"	691.421524	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"532022"	1037.635924	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"908729"	345.207124	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"61648"	708.448071	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"502060"	1054.662471	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"877551"	362.233671	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"46181"	713.403466	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"486106"	1059.617866	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"861720"	367.189066	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1629064"	367.189066	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"102311"	363.195463	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"539684"	536.302663	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"933198"	190.088263	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"268109"	727.398202	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"663445"	1073.612602	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1274631"	381.183802	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"16703"	729.377406	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"458695"	1075.591806	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"836496"	383.163006	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1559259"	383.163006	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"950063"	391.212594	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"375462"	737.427001	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"358008"	751.442651	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1505742"	405.228251	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"971463"	413.194551	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"122558"	381.183802	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"561756"	554.291002	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1033835"	208.076602	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1253775"	425.133285	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1317318"	427.189272	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1327521"	449.171229	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"918577"	459.199986	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1297470"	495.176664	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1375639"	311.201724	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1395322"	329.2117	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"292821"	693.436076	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"680868"	1039.650476	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1353937"	347.221676	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"128284"	347.221676	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"567112"	520.328876	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1039920"	174.114476	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"219503"	231.816876	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"658695"	347.221676	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1175002"	116.412076	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"436085"	710.462623	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"797082"	1056.677023	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1695236"	364.248223	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"342786"	355.7349495	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"734116"	528.8421495	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1490123"	182.6277495	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"403338"	715.418018	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"765795"	1061.632418	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1612432"	369.203618	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"326841"	358.212647	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"721935"	531.319847	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1470894"	185.105447	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1064140"	123.73939	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1263630"	379.247886	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"389861"	731.391958	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"753821"	1077.606358	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1555024"	385.177558	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"313371"	366.199617	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"703239"	539.306817	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1450142"	193.092417	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"242753"	734.462626	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1216554"	388.248226	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1201533"	194.627751	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"197684"	737.39996	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"643078"	1083.61436	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1144762"	391.18556	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"183678"	369.203618	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"627612"	542.310818	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1128931"	196.096418	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1412455"	131.066704	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1441656"	393.227146	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"234511"	374.23664	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1522696"	407.27919	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"423475"	377.190588	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"784848"	550.297788	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1680693"	204.083388	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"266808"	756.444568	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1240775"	410.230168	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1728203"	410.253693	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1193435"	138.394018	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1664177"	415.209088	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"172125"	769.34784	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"608409"	1115.56224	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1096569"	423.13344	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"153018"	385.177558	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"595012"	558.284758	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1081466"	212.070358	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1113581"	425.147992	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1348873"	425.235607	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1018497"	429.274776	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1538082"	430.268408	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"1003797"	215.141026	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1601215"	431.183028	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1428942"	461.214538	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1162472"	235.654301	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1711813"	478.241085	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1640905"	483.19648	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1572184"	499.17042	"C02140"	"Corticosterone;11beta21-Dihydroxy-4-pregnene-320-dione;Kendalls compound B;Reichsteins substance H"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"810205"	426.3862	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M"	0
"982643"	407.36781	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"66510"	283.250190666667	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"514823"	425.378924	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"894817"	141.121457333333	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"12660"	425.378924	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"455141"	638.572024	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"832554"	212.185824	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"93952"	851.765124	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"533226"	1278.151324	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"910299"	425.378924	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"62489"	868.791671	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"502730"	1295.177871	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"875837"	442.405471	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"44832"	873.747066	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"484028"	1300.133266	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"860737"	447.360866	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1629174"	447.360866	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"101328"	443.367263	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"541981"	656.560363	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"932216"	230.174163	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"272958"	887.741802	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"662098"	1314.128002	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1273770"	461.355602	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"21433"	889.721006	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"460993"	1316.107206	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"834786"	463.334806	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1557542"	463.334806	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"950173"	471.384394	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"376423"	897.770601	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"359575"	911.786251	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1505492"	485.400051	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"970838"	493.366351	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"124857"	461.355602	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"564052"	674.548702	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1036496"	248.162502	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1254616"	505.305085	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1317792"	507.361072	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1327631"	529.343029	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"923062"	539.371786	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1297581"	575.348464	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1375749"	391.373524	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1394339"	409.3835	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"294024"	853.779676	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"682071"	1280.165876	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1362795"	427.393476	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"134591"	427.393476	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"569777"	640.586576	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1042946"	214.200376	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"218878"	285.264742666667	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"658804"	427.393476	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1178273"	143.136009333333	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"438016"	870.806223	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"800719"	1297.192423	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1696318"	444.420023	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"344717"	435.9067495	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"737508"	649.0998495	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1491326"	222.7136495	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"407458"	875.761618	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"767363"	1302.147818	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1616915"	449.375418	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"328774"	438.384447	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"721439"	651.577547	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1475986"	225.191347	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1066681"	150.463323333333	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1268112"	459.419686	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"391431"	891.735558	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"754082"	1318.121758	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1554729"	465.349358	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"313117"	446.371417	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"705900"	659.564517	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1454262"	233.178317	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"245781"	894.806226	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1216665"	468.420026	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1203830"	234.713651	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"194514"	897.74356	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"635169"	1324.12976	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1143413"	471.35736	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"181964"	449.375418	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"625535"	662.568518	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1127947"	236.182318	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1413942"	157.790637333333	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1443222"	473.398946	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"232917"	454.40844	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1523534"	487.45099	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"423909"	457.362388	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"785446"	670.555488	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1680924"	244.169288	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"266463"	916.788168	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1241250"	490.401968	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1728303"	490.425493	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1194036"	165.117951333333	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1664045"	495.380888	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"171754"	929.69144	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"609611"	1356.07764	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1097407"	503.30524	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"153858"	465.349358	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"594145"	678.542458	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1081576"	252.156258	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1114425"	505.319792	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1348620"	505.407407	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1019579"	509.446576	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1539043"	510.440208	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1004638"	255.226926	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1601691"	511.354828	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1429173"	541.386338	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1162624"	275.740201	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1712706"	558.412885	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1641015"	563.36828	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1572294"	579.34222	"C02141"	"Cycloeucalenol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"803757"	208.0592	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M"	0
"976197"	189.04081	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-H2O-H"	-19.01839
"72094"	137.698857333333	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M-3H"	-3.021828
"509469"	207.051924	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M-3H"	-3.021828
"895055"	68.3457906666667	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-3H"	-3.021828
"14964"	207.051924	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M-2H"	-2.014552
"454523"	311.081524	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M-2H"	-2.014552
"831598"	103.022324	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-2H"	-2.014552
"90496"	415.111124	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M-H"	-1.007276
"528231"	623.170324	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M-H"	-1.007276
"908585"	207.051924	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-H"	-1.007276
"58586"	432.137671	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M-2H+NH4"	16.019271
"497053"	640.196871	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M-2H+NH4"	16.019271
"875584"	224.078471	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-2H+NH4"	16.019271
"43484"	437.093066	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M-2H+Na"	20.974666
"483043"	645.152266	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M-2H+Na"	20.974666
"856469"	229.033866	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-2H+Na"	20.974666
"1628556"	229.033866	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Na-2H"	20.974666
"102532"	225.040263	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M-H+Cl"	33.962126
"537720"	329.069863	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M-H+Cl"	33.962126
"938895"	121.010663	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-H+Cl"	33.962126
"273077"	451.087802	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+Cl"	34.969402
"669872"	659.147002	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+Cl"	34.969402
"1281184"	243.028602	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Cl"	34.969402
"30187"	453.067006	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M-2H+K"	36.948606
"469869"	661.126206	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M-2H+K"	36.948606
"844388"	245.007806	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-2H+K"	36.948606
"1569701"	245.007806	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+K-2H"	36.948606
"955759"	253.057394	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-H+HCOOH"	44.998194
"375068"	461.116601	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+HCOOH-H"	44.998201
"359681"	475.132251	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+Hac-H"	59.013851
"1505602"	267.073051	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Hac-H"	59.013851
"971686"	275.039351	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-H+NaCOOH"	66.980151
"121318"	243.028602	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+2Cl"	69.938804
"562339"	347.058202	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+2Cl"	69.938804
"1035147"	138.999002	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2Cl"	69.938804
"1255820"	286.978085	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Br"	78.918885
"1310246"	289.034072	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Cl+HCOOH"	80.974872
"1324461"	311.016029	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Cl+NaCOOH"	102.956829
"916613"	321.044786	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M-H+CF3COOH"	112.985586
"1293321"	357.021464	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Cl+CF3COOH"	148.962264
"1371484"	173.046524	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H-2H2O"	-35.012676
"1385702"	191.0565	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H-H2O"	-17.0027
"285019"	417.125676	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+H"	1.007276
"676716"	625.184876	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+H"	1.007276
"1360726"	209.066476	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H"	1.007276
"137625"	209.066476	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+2H"	2.014552
"579019"	313.096076	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+2H"	2.014552
"1047456"	105.036876	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2H"	2.014552
"215357"	139.713409333333	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+3H"	3.021828
"654916"	209.066476	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+3H"	3.021828
"1176322"	70.3603426666667	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+3H"	3.021828
"437407"	434.152223	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+NH4"	18.033823
"800226"	642.211423	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+NH4"	18.033823
"1687079"	226.093023	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+NH4"	18.033823
"333169"	217.5797495	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+H+NH4"	19.041099
"727777"	321.6093495	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+H+NH4"	19.041099
"1481597"	113.5501495	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H+NH4"	19.041099
"398089"	439.107618	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+Na"	22.989218
"760181"	647.166818	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+Na"	22.989218
"1612653"	231.048418	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Na"	22.989218
"323783"	220.057447	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+H+Na"	23.996494
"719482"	324.087047	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+H+Na"	23.996494
"1474031"	116.027847	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H+Na"	23.996494
"1062176"	77.6876566666667	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2H+Na"	25.00377
"1261671"	241.092686	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+CH3OH+H"	33.033486
"384622"	455.081558	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+K"	38.963158
"739788"	663.140758	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+K"	38.963158
"1540747"	247.022358	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+K"	38.963158
"304846"	228.044417	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+H+K"	39.970434
"697268"	332.074017	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+H+K"	39.970434
"1449995"	124.014817	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H+K"	39.970434
"240784"	458.152226	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+ACN+H"	42.033826
"1214588"	250.093026	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+ACN+H"	42.033826
"1201750"	125.550151	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+ACN+2H"	43.041102
"193528"	461.08956	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+2Na-H"	44.97116
"634183"	669.14876	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+2Na-H"	44.97116
"1135504"	253.03036	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2Na-H"	44.97116
"176972"	231.048418	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+2Na"	45.978436
"622729"	335.078018	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+2Na"	45.978436
"1126235"	127.018818	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2Na"	45.978436
"1413771"	85.0149706666667	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H+2Na"	46.985712
"1443700"	255.071946	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H+HCOOH"	47.012746
"234124"	236.08144	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+3H2O+2H"	56.04448
"1519269"	269.12399	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+IsoProp+H"	61.06479
"421145"	239.035388	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+Na+K"	61.952376
"785546"	343.064988	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+Na+K"	61.952376
"1681160"	135.005788	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Na+K"	61.952376
"267044"	480.134168	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+ACN+Na"	64.015768
"1241193"	272.074968	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+ACN+Na"	64.015768
"1724772"	272.098493	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+NH4+HCOOH"	64.039293
"1190126"	92.3422846666667	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+3Na"	68.967654
"1660746"	277.053888	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Na+HCOOH"	68.994688
"163603"	493.03744	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+2K-H"	76.91904
"604255"	701.09664	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+2K-H"	76.91904
"1093141"	284.97824	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2K-H"	76.91904
"152143"	247.022358	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"2M+2K"	77.926316
"592797"	351.051958	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"3M+2K"	77.926316
"1080227"	142.992758	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2K"	77.926316
"1110156"	286.992792	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2K+H"	78.933592
"1348727"	287.080407	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+DMSO+H"	79.021207
"1018351"	291.119576	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2ACN+H"	83.060376
"1538298"	292.113208	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+IsoProp+Na+H"	84.054008
"1002924"	146.063426	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+2ACN+2H"	84.067652
"1596694"	293.027828	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+K+HCOOH"	84.968628
"1426727"	323.059338	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+H+CF3COOH"	115.000138
"1152644"	166.576701	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+3ACN+2H"	125.094202
"1701100"	340.085885	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+NH4+CF3COOH"	132.026685
"1637846"	345.04128	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+Na+CF3COOH"	136.98208
"1573501"	361.01522	"C02147"	"Dihydrolipoate;Dihydrolipoic acid;Dihydrothioctic acid"	"C8H16O2S2"	"208.0592"	"M+K+CF3COOH"	152.95602
"806054"	116.011	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M"	0
"981773"	96.99261	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-H2O-H"	-19.01839
"72204"	76.3333906666667	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M-3H"	-3.021828
"509579"	115.003724	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M-3H"	-3.021828
"894442"	37.6630573333333	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-3H"	-3.021828
"15326"	115.003724	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M-2H"	-2.014552
"454758"	173.009224	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M-2H"	-2.014552
"831588"	56.998224	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-2H"	-2.014552
"93767"	231.014724	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M-H"	-1.007276
"528341"	347.025724	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M-H"	-1.007276
"909060"	115.003724	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-H"	-1.007276
"57967"	248.041271	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M-2H+NH4"	16.019271
"497892"	364.052271	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M-2H+NH4"	16.019271
"874235"	132.030271	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-2H+NH4"	16.019271
"45052"	252.996666	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M-2H+Na"	20.974666
"483881"	369.007666	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M-2H+Na"	20.974666
"859859"	136.985666	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-2H+Na"	20.974666
"1629760"	136.985666	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Na-2H"	20.974666
"102642"	132.992063	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M-H+Cl"	33.962126
"535641"	190.997563	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M-H+Cl"	33.962126
"940098"	74.986563	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-H+Cl"	33.962126
"275373"	266.991402	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+Cl"	34.969402
"671075"	383.002402	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+Cl"	34.969402
"1281292"	150.980402	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Cl"	34.969402
"29203"	268.970606	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M-2H+K"	36.948606
"468884"	384.981606	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M-2H+K"	36.948606
"844500"	152.959606	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-2H+K"	36.948606
"1567987"	152.959606	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+K-2H"	36.948606
"955869"	161.009194	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-H+HCOOH"	44.998194
"370803"	277.020201	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+HCOOH-H"	44.998201
"357967"	291.035851	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+Hac-H"	59.013851
"1504616"	175.024851	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Hac-H"	59.013851
"973787"	182.991151	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-H+NaCOOH"	66.980151
"125620"	150.980402	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+2Cl"	69.938804
"562811"	208.985902	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+2Cl"	69.938804
"1035256"	92.974902	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2Cl"	69.938804
"1256415"	194.929885	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Br"	78.918885
"1311450"	196.985872	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Cl+HCOOH"	80.974872
"1324935"	218.967829	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Cl+NaCOOH"	102.956829
"917087"	228.996586	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M-H+CF3COOH"	112.985586
"1294525"	264.973264	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Cl+CF3COOH"	148.962264
"1371594"	80.998324	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H-2H2O"	-35.012676
"1387999"	99.0083	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H-H2O"	-17.0027
"285495"	233.029276	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+H"	1.007276
"677918"	349.040276	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+H"	1.007276
"1359743"	117.018276	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H"	1.007276
"138099"	117.018276	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+2H"	2.014552
"578401"	175.023776	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+2H"	2.014552
"1048658"	59.012776	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2H"	2.014552
"216560"	78.3479426666667	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+3H"	3.021828
"655026"	117.018276	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+3H"	3.021828
"1177163"	39.6776093333333	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+3H"	3.021828
"437517"	250.055823	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+NH4"	18.033823
"799606"	366.066823	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+NH4"	18.033823
"1693751"	134.044823	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+NH4"	18.033823
"335467"	125.5315495	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+H+NH4"	19.041099
"728983"	183.5370495	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+H+NH4"	19.041099
"1482803"	67.5260495	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H+NH4"	19.041099
"405129"	255.011218	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+Na"	22.989218
"763571"	371.022218	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+Na"	22.989218
"1613491"	139.000218	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Na"	22.989218
"321704"	128.009247	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+H+Na"	23.996494
"714125"	186.014747	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+H+Na"	23.996494
"1470130"	70.003747	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H+Na"	23.996494
"1062287"	47.0049233333333	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2H+Na"	25.00377
"1261781"	149.044486	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+CH3OH+H"	33.033486
"388012"	270.985158	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+K"	38.963158
"739169"	386.996158	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+K"	38.963158
"1545597"	154.974158	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+K"	38.963158
"306414"	135.996217	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+H+K"	39.970434
"701752"	194.001717	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+H+K"	39.970434
"1453387"	77.990717	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H+K"	39.970434
"246363"	274.055826	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+ACN+H"	42.033826
"1221260"	158.044826	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+ACN+H"	42.033826
"1202957"	79.526051	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+ACN+2H"	43.041102
"195827"	276.99316	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+2Na-H"	44.97116
"641949"	393.00416	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+2Na-H"	44.97116
"1141811"	160.98216	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2Na-H"	44.97116
"174894"	139.000218	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+2Na"	45.978436
"622839"	197.005718	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+2Na"	45.978436
"1126345"	80.994718	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2Na"	45.978436
"1413643"	54.3322373333333	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H+2Na"	46.985712
"1443814"	163.023746	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H+HCOOH"	47.012746
"234237"	144.03324	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+3H2O+2H"	56.04448
"1521932"	177.07579	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+IsoProp+H"	61.06479
"420891"	146.987188	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+Na+K"	61.952376
"784442"	204.992688	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+Na+K"	61.952376
"1680776"	88.981688	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Na+K"	61.952376
"265838"	296.037768	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+ACN+Na"	64.015768
"1241065"	180.026768	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+ACN+Na"	64.015768
"1724882"	180.050293	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+NH4+HCOOH"	64.039293
"1190603"	61.6595513333333	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+3Na"	68.967654
"1660130"	185.005688	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Na+HCOOH"	68.994688
"163713"	308.94104	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+2K-H"	76.91904
"608740"	424.95204	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+2K-H"	76.91904
"1098844"	192.93004	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2K-H"	76.91904
"153713"	154.974158	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"2M+2K"	77.926316
"594001"	212.979658	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"3M+2K"	77.926316
"1082163"	96.968658	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2K"	77.926316
"1114036"	194.944592	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2K+H"	78.933592
"1349566"	195.032207	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+DMSO+H"	79.021207
"1018827"	199.071376	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2ACN+H"	83.060376
"1535858"	200.065008	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+IsoProp+Na+H"	84.054008
"1003034"	100.039326	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+2ACN+2H"	84.067652
"1598627"	200.979628	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+K+HCOOH"	84.968628
"1427931"	231.011138	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+H+CF3COOH"	115.000138
"1151661"	120.552601	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+3ACN+2H"	125.094202
"1699387"	248.037685	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+NH4+CF3COOH"	132.026685
"1636863"	252.99308	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+Na+CF3COOH"	136.98208
"1574704"	268.96702	"C02150"	"Formylpyruvate"	"C4H4O4"	"116.011"	"M+K+CF3COOH"	152.95602
"809446"	352.1787	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M"	0
"989176"	333.16031	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"72315"	233.778524	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"509689"	351.171424	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"890773"	116.385624	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"14088"	351.171424	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"454743"	527.260774	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"828897"	175.082074	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"87797"	703.350124	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"529543"	1055.528824	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"907345"	351.171424	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"58439"	720.376671	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"496906"	1072.555371	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"873614"	368.197971	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"43702"	725.332066	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"481075"	1077.510766	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"854502"	373.153366	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1619782"	373.153366	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"101659"	369.159763	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"544502"	545.249113	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"940208"	193.070413	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"276576"	739.326802	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"671185"	1091.505502	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1281402"	387.148102	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"26151"	741.306006	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"468992"	1093.484706	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"839140"	389.127306	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1563718"	389.127306	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"946134"	397.176894	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"368724"	749.355601	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"353701"	763.371251	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1495970"	411.192551	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"971899"	419.158851	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"121172"	387.148102	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"556360"	563.237452	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1029533"	211.058752	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1246921"	431.097585	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1311560"	433.153572	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1326869"	455.135529	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"918290"	465.164286	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1292083"	501.140964	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1373162"	317.166024	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1387378"	335.176	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"285606"	705.364676	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"680579"	1057.543376	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1357665"	353.185976	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"140762"	353.185976	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"576321"	529.275326	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1046583"	177.096626	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"214482"	235.793076	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"655136"	353.185976	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1172169"	118.400176	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"434348"	722.391223	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"800446"	1074.569923	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1686205"	370.212523	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"332297"	361.6992495	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"727999"	537.7885995	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1482912"	185.6098995	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"398311"	727.346618	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"759305"	1079.525318	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1609591"	375.167918	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"319627"	364.176947	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"712048"	540.266297	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1469149"	188.087597	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1056925"	125.72749	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1262984"	385.212186	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"379379"	743.320558	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"740738"	1095.499258	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1548985"	391.141858	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"304337"	372.163917	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"702955"	548.253267	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1453497"	196.074567	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"242098"	746.391226	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1215899"	394.212526	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1199785"	197.609901	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"195939"	749.32856	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"632217"	1101.50726	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1137912"	397.14986	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"182298"	375.167918	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"622951"	551.257268	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1129620"	199.078568	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1413145"	133.054804	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1441006"	399.191446	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"233620"	380.20094	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1523628"	413.24349	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"423682"	383.154888	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"782730"	559.244238	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1680766"	207.065538	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"265946"	768.373168	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1240360"	416.194468	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1723901"	416.217993	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1191079"	140.382118	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1656961"	421.173388	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"164916"	781.27644	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"603384"	1133.45514	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1092270"	429.09774	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"154189"	391.141858	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"592655"	567.231208	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1079355"	215.052508	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1109283"	431.112292	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1348951"	431.199907	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1014563"	435.239076	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1537791"	436.232708	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"1002780"	218.123176	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1600929"	437.147328	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1421482"	467.178838	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1150677"	238.636451	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1701322"	484.205385	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1636974"	489.16078	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1577001"	505.13472	"C02151"	"Geissoschizine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"804451"	409.0501	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M"	0
"976162"	390.03171	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-H2O-H"	-19.01839
"69145"	271.692790666667	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M-3H"	-3.021828
"509799"	408.042824	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M-3H"	-3.021828
"893801"	135.342757333333	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-3H"	-3.021828
"13105"	408.042824	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M-2H"	-2.014552
"454853"	612.567874	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M-2H"	-2.014552
"830103"	203.517774	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-2H"	-2.014552
"89000"	817.092924	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M-H"	-1.007276
"526373"	1226.143024	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M-H"	-1.007276
"909640"	408.042824	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-H"	-1.007276
"59642"	834.119471	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M-2H+NH4"	16.019271
"499203"	1243.169571	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M-2H+NH4"	16.019271
"877004"	425.069371	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-2H+NH4"	16.019271
"44904"	839.074866	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M-2H+Na"	20.974666
"483371"	1248.124966	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M-2H+Na"	20.974666
"855705"	430.024766	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-2H+Na"	20.974666
"1620499"	430.024766	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Na-2H"	20.974666
"101769"	426.031163	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M-H+Cl"	33.962126
"546798"	630.556213	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M-H+Cl"	33.962126
"941656"	221.506113	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-H+Cl"	33.962126
"276686"	853.069602	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+Cl"	34.969402
"666920"	1262.119702	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+Cl"	34.969402
"1280419"	444.019502	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Cl"	34.969402
"29542"	855.048806	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M-2H+K"	36.948606
"470196"	1264.098906	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M-2H+K"	36.948606
"839250"	445.998706	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-2H+K"	36.948606
"1567108"	445.998706	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+K-2H"	36.948606
"948431"	454.048294	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-H+HCOOH"	44.998194
"371386"	863.098401	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+HCOOH-H"	44.998201
"353811"	877.114051	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+Hac-H"	59.013851
"1497174"	468.063951	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Hac-H"	59.013851
"970916"	476.030251	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-H+NaCOOH"	66.980151
"123104"	444.019502	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+2Cl"	69.938804
"556470"	648.544552	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+2Cl"	69.938804
"1029643"	239.494452	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2Cl"	69.938804
"1249217"	487.968985	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Br"	78.918885
"1311670"	490.024972	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Cl+HCOOH"	80.974872
"1325886"	512.006929	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Cl+NaCOOH"	102.956829
"916944"	522.035686	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M-H+CF3COOH"	112.985586
"1294746"	558.012364	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Cl+CF3COOH"	148.962264
"1375094"	374.037424	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H-2H2O"	-35.012676
"1384208"	392.0474	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H-H2O"	-17.0027
"285718"	819.107476	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+H"	1.007276
"678139"	1228.157576	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+H"	1.007276
"1362147"	410.057376	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H"	1.007276
"138318"	410.057376	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+2H"	2.014552
"576791"	614.582426	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+2H"	2.014552
"1047785"	205.532326	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2H"	2.014552
"216777"	273.707342666667	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+3H"	3.021828
"657431"	410.057376	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+3H"	3.021828
"1173372"	137.357309333333	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+3H"	3.021828
"433364"	836.134023	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+NH4"	18.033823
"796547"	1245.184123	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+NH4"	18.033823
"1686316"	427.083923	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+NH4"	18.033823
"333134"	418.5706495	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+H+NH4"	19.041099
"728471"	623.0956995	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+H+NH4"	19.041099
"1483018"	214.0455995	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H+NH4"	19.041099
"398419"	841.089418	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+Na"	22.989218
"760509"	1250.139518	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+Na"	22.989218
"1612980"	432.039318	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Na"	22.989218
"319737"	421.048347	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+H+Na"	23.996494
"711064"	625.573397	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+H+Na"	23.996494
"1469258"	216.523297	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H+Na"	23.996494
"1057036"	144.684623333333	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2H+Na"	25.00377
"1265281"	442.083586	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+CH3OH+H"	33.033486
"381675"	857.063358	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+K"	38.963158
"743035"	1266.113458	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+K"	38.963158
"1546545"	448.013258	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+K"	38.963158
"307364"	429.035317	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+H+K"	39.970434
"701972"	633.560367	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+H+K"	39.970434
"1452512"	224.510267	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H+K"	39.970434
"242207"	860.134026	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+ACN+H"	42.033826
"1219290"	451.083926	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+ACN+H"	42.033826
"1205362"	226.045601	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+ACN+2H"	43.041102
"199328"	863.07136	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+2Na-H"	44.97116
"636700"	1272.12146	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+2Na-H"	44.97116
"1143488"	454.02126	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2Na-H"	44.97116
"180584"	432.039318	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+2Na"	45.978436
"624154"	636.564368	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+2Na"	45.978436
"1130703"	227.514268	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2Na"	45.978436
"1413622"	152.011937333333	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H+2Na"	46.985712
"1442574"	456.062846	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H+HCOOH"	47.012746
"233729"	437.07234	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+3H2O+2H"	56.04448
"1523373"	470.11489	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+IsoProp+H"	61.06479
"423306"	440.026288	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+Na+K"	61.952376
"785026"	644.551338	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+Na+K"	61.952376
"1680632"	235.501238	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Na+K"	61.952376
"264963"	882.115968	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+ACN+Na"	64.015768
"1240955"	473.065868	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+ACN+Na"	64.015768
"1726562"	473.089393	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+NH4+HCOOH"	64.039293
"1192890"	159.339251333333	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+3Na"	68.967654
"1658163"	478.044788	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Na+HCOOH"	68.994688
"165026"	895.01924	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+2K-H"	76.91904
"605680"	1304.06934	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+2K-H"	76.91904
"1093473"	485.96914	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2K-H"	76.91904
"154299"	448.013258	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"2M+2K"	77.926316
"595439"	652.538308	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"3M+2K"	77.926316
"1080193"	243.488208	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2K"	77.926316
"1106476"	487.983692	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2K+H"	78.933592
"1345048"	488.071307	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+DMSO+H"	79.021207
"1014672"	492.110476	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2ACN+H"	83.060376
"1536808"	493.104108	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+IsoProp+Na+H"	84.054008
"1003255"	246.558876	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+2ACN+2H"	84.067652
"1600674"	494.018728	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+K+HCOOH"	84.968628
"1420498"	524.050238	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+H+CF3COOH"	115.000138
"1154067"	267.072151	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+3ACN+2H"	125.094202
"1699609"	541.076785	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+NH4+CF3COOH"	132.026685
"1638177"	546.03218	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+Na+CF3COOH"	136.98208
"1576018"	562.00612	"C02153"	"Glucotropaeolin;Glucotropeolin;Benzyl glucosinolate"	"C14H19NO9S2"	"409.0501"	"M+K+CF3COOH"	152.95602
"806386"	90.0317	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M"	0
"986480"	71.01331	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"76915"	59.0138573333333	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"517206"	89.024424	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"894273"	29.0032906666667	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"11756"	89.024424	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"446942"	134.040274	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"821464"	44.008574	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"82548"	179.056124	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"525388"	269.087824	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"903189"	89.024424	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"56470"	196.082671	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"493845"	286.114371	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"874927"	106.050971	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"38453"	201.038066	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"483483"	291.069766	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"855816"	111.006366	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1633130"	111.006366	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"101880"	107.012763	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"544721"	152.028613	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"942669"	61.996913	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"276796"	215.032802	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"670310"	305.064502	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1283808"	125.001102	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"30749"	217.012006	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"464837"	307.043706	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"846647"	126.980306	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1566128"	126.980306	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"950730"	135.029894	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"373320"	225.061601	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"355017"	239.077251	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1504943"	149.045551	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"973336"	157.011851	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"122486"	125.001102	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"559861"	170.016952	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1036193"	79.985252	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1256258"	168.950585	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1311781"	171.006572	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1330371"	192.988529	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"918148"	203.017286	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1298137"	238.993964	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1379579"	55.019024	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1388328"	73.029	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"286922"	181.070676	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"681530"	271.102376	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1360071"	91.038976	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"137335"	91.038976	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"576901"	136.054826	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1048981"	46.023126	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"214695"	61.0284093333333	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"653896"	91.038976	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1171296"	31.0178426666667	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"433472"	198.097223	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"791189"	288.128923	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1687519"	108.065523	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"335068"	99.5522495	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"726029"	144.5680995	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1478391"	54.5363995	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"394156"	203.052618	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"759527"	293.084318	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1613091"	113.020918	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"319847"	102.029947	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"712268"	147.045797	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1470462"	57.014097	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1059333"	38.3451566666667	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1265391"	123.065186	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"385061"	219.026558	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"740956"	309.058258	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1545925"	128.994858	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"309661"	110.016917	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"694793"	155.032767	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1449706"	65.001067	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"242318"	222.097226	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1215027"	132.065526	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1200004"	66.536401	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"195063"	225.03456	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"633529"	315.06626	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1138130"	135.00286	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"177778"	113.020918	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"626452"	158.036768	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1125585"	68.005068	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1409109"	45.6724706666667	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1439037"	137.044446	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"231648"	118.05394	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1523361"	151.09649	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"421593"	121.007888	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"779672"	166.023738	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1678920"	75.992038	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"263619"	244.079168	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1237790"	154.047468	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1723026"	154.070993	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1182912"	52.9997846666667	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1656085"	159.026388	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"165136"	256.98244	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"604693"	347.01414	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1095406"	166.95074	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"155137"	128.994858	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"591053"	174.010708	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1075564"	83.979008	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1103303"	168.965292	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1342968"	169.052907	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1015873"	173.092076	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1531812"	174.085708	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"1000449"	87.049676	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1598230"	175.000328	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1417328"	205.031838	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1148710"	107.562951	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1698627"	222.058385	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1644852"	227.01378	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1576128"	242.98772	"C02154"	"Glyceraldehyde;23-Dihydroxypropionaldehyde;23-Dihydroxypropanal;Glycerose;Aldotriose"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"806496"	188.1161	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M"	0
"975654"	169.09771	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-H2O-H"	-19.01839
"77633"	124.403457333333	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M-3H"	-3.021828
"517683"	187.108824	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M-3H"	-3.021828
"893901"	61.6980906666667	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-3H"	-3.021828
"13691"	187.108824	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M-2H"	-2.014552
"449239"	281.166874	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M-2H"	-2.014552
"821573"	93.050774	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-2H"	-2.014552
"84845"	375.224924	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M-H"	-1.007276
"521488"	563.341024	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M-H"	-1.007276
"903298"	187.108824	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-H"	-1.007276
"58403"	392.251471	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M-2H+NH4"	16.019271
"493954"	580.367571	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M-2H+NH4"	16.019271
"871756"	204.135371	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-2H+NH4"	16.019271
"38563"	397.206866	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M-2H+Na"	20.974666
"477030"	585.322966	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M-2H+Na"	20.974666
"853739"	209.090766	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-2H+Na"	20.974666
"1629836"	209.090766	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Na-2H"	20.974666
"100897"	205.097163	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M-H+Cl"	33.962126
"543738"	299.155213	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M-H+Cl"	33.962126
"942448"	111.039113	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-H+Cl"	33.962126
"276906"	411.201602	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+Cl"	34.969402
"668233"	599.317702	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+Cl"	34.969402
"1282825"	223.085502	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Cl"	34.969402
"30617"	413.180806	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M-2H+K"	36.948606
"468956"	601.296906	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M-2H+K"	36.948606
"842748"	225.064706	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-2H+K"	36.948606
"1559677"	225.064706	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+K-2H"	36.948606
"950839"	233.114294	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-H+HCOOH"	44.998194
"373065"	421.230401	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+HCOOH-H"	44.998201
"356949"	435.246051	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+Hac-H"	59.013851
"1504689"	247.129951	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Hac-H"	59.013851
"972595"	255.096251	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-H+NaCOOH"	66.980151
"121503"	223.085502	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+2Cl"	69.938804
"559971"	317.143552	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+2Cl"	69.938804
"1035696"	129.027452	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2Cl"	69.938804
"1254181"	267.034985	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Br"	78.918885
"1311891"	269.090972	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Cl+HCOOH"	80.974872
"1332304"	291.072929	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Cl+NaCOOH"	102.956829
"917164"	301.101686	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M-H+CF3COOH"	112.985586
"1298247"	337.078364	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Cl+CF3COOH"	148.962264
"1378596"	153.103424	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H-2H2O"	-35.012676
"1387345"	171.1134	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H-H2O"	-17.0027
"285209"	377.239476	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+H"	1.007276
"680545"	565.355576	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+H"	1.007276
"1362371"	189.123376	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H"	1.007276
"135258"	189.123376	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+2H"	2.014552
"575917"	283.181426	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+2H"	2.014552
"1046903"	95.065326	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2H"	2.014552
"217719"	126.418009333333	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+3H"	3.021828
"653277"	189.123376	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+3H"	3.021828
"1171040"	63.7126426666667	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+3H"	3.021828
"430304"	394.266023	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+NH4"	18.033823
"790206"	582.382123	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+NH4"	18.033823
"1687628"	206.149923	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+NH4"	18.033823
"333355"	197.6366495	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+H+NH4"	19.041099
"726504"	291.6946995	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+H+NH4"	19.041099
"1479231"	103.5785995	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H+NH4"	19.041099
"396452"	399.221418	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+Na"	22.989218
"756354"	587.337518	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+Na"	22.989218
"1605547"	211.105318	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Na"	22.989218
"322144"	200.114347	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+H+Na"	23.996494
"711285"	294.172397	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+H+Na"	23.996494
"1472759"	106.056297	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H+Na"	23.996494
"1059443"	71.0399566666667	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2H+Na"	25.00377
"1266592"	221.149586	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+CH3OH+H"	33.033486
"382981"	415.195358	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+K"	38.963158
"742888"	603.311458	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+K"	38.963158
"1546035"	227.079258	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+K"	38.963158
"307584"	208.101317	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+H+K"	39.970434
"694539"	302.159367	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+H+K"	39.970434
"1450545"	114.043267	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H+K"	39.970434
"243523"	418.266026	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+ACN+H"	42.033826
"1214044"	230.149926	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+ACN+H"	42.033826
"1199022"	115.578601	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+ACN+2H"	43.041102
"198454"	421.20336	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+2Na-H"	44.97116
"635828"	609.31946	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+2Na-H"	44.97116
"1140431"	233.08726	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2Na-H"	44.97116
"182628"	211.105318	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+2Na"	45.978436
"627052"	305.163368	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+2Na"	45.978436
"1127157"	117.047268	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2Na"	45.978436
"1412139"	78.3672706666667	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H+2Na"	46.985712
"1441701"	235.128846	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H+HCOOH"	47.012746
"233950"	216.13834	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+3H2O+2H"	56.04448
"1522016"	249.18089	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+IsoProp+H"	61.06479
"422428"	219.092288	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+Na+K"	61.952376
"778689"	313.150338	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+Na+K"	61.952376
"1678663"	125.034238	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Na+K"	61.952376
"264458"	440.247968	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+ACN+Na"	64.015768
"1237531"	252.131868	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+ACN+Na"	64.015768
"1722043"	252.155393	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+NH4+HCOOH"	64.039293
"1185211"	85.6945846666667	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+3Na"	68.967654
"1655102"	257.110788	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Na+HCOOH"	68.994688
"163060"	453.15124	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+2K-H"	76.91904
"601886"	641.26734	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+2K-H"	76.91904
"1091506"	265.03514	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2K-H"	76.91904
"154517"	227.079258	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"2M+2K"	77.926316
"594079"	321.137308	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"3M+2K"	77.926316
"1074580"	133.021208	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2K"	77.926316
"1105602"	267.049692	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2K+H"	78.933592
"1341985"	267.137307	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+DMSO+H"	79.021207
"1013796"	271.176476	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2ACN+H"	83.060376
"1525482"	272.170108	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+IsoProp+Na+H"	84.054008
"997277"	136.091876	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+2ACN+2H"	84.067652
"1596155"	273.084728	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+K+HCOOH"	84.968628
"1420718"	303.116238	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+H+CF3COOH"	115.000138
"1147159"	156.605151	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+3ACN+2H"	125.094202
"1699466"	320.142785	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+NH4+CF3COOH"	132.026685
"1644962"	325.09818	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+Na+CF3COOH"	136.98208
"1576238"	341.07212	"C02155"	"Glycyl-leucine;Glycyl-L-leucine"	"C8H16N2O3"	"188.1161"	"M+K+CF3COOH"	152.95602
"806606"	292.2402	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M"	0
"975762"	273.22181	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"77134"	193.819524	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"517670"	291.232924	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"893403"	96.406124	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"10885"	291.232924	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"454452"	437.353024	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"823870"	145.112824	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"86048"	583.473124	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"522327"	875.713324	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"901222"	291.232924	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"58877"	600.499671	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"491877"	892.739871	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"868586"	308.259471	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"35393"	605.455066	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"477140"	897.695266	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"852756"	313.214866	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1623384"	313.214866	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"107568"	309.221263	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"543848"	455.341363	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"941868"	163.101163	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"281029"	619.449802	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"670532"	911.690002	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1285124"	327.209602	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"29877"	621.429006	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"465057"	913.669206	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"839578"	329.188806	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1559787"	329.188806	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"947669"	337.238394	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"370259"	629.478601	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"353048"	643.494251	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1505892"	351.254051	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"971246"	359.220351	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"121247"	327.209602	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"558987"	473.329702	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1034348"	181.089502	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1253925"	371.159085	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1313093"	373.215072	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1329498"	395.197029	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"917274"	405.225786	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1299451"	441.202464	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1377613"	257.227524	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1386363"	275.2375	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"284226"	585.487676	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"680656"	877.727876	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1362481"	293.247476	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"135368"	293.247476	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"577124"	439.367576	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1048107"	147.127376	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"215645"	195.834076	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"654119"	293.247476	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1171514"	98.420676	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"426402"	602.514223	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"791409"	894.754423	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1684093"	310.274023	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"332372"	301.7607495	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"726250"	447.8808495	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1482259"	155.6406495	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"395469"	607.469618	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"757560"	899.709818	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1608938"	315.229418	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"322255"	304.238447	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"712489"	450.358547	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1474690"	158.118347	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1059553"	105.74799	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1267796"	325.273686	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"380906"	623.443558	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"740814"	915.683758	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1545051"	331.203358	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"304414"	312.225417	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"692462"	458.345517	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1447375"	166.105317	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"242540"	626.514226	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1216341"	334.274026	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1199134"	167.640651	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"194192"	629.45156	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"631931"	921.69176	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1138355"	337.21136	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"185777"	315.229418	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"622304"	461.349518	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1127996"	169.109318	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1411886"	113.075304	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1442911"	339.252946	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"232970"	320.26244	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1522489"	353.30499	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"422176"	323.216388	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"780985"	469.336488	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1679137"	177.096288	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"265295"	648.496168	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1237275"	356.255968	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1723246"	356.279493	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1184227"	120.402618	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1658492"	361.234888	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"163170"	661.39944	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"600538"	953.63964	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1089428"	369.15924	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"151711"	331.203358	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"594554"	477.323458	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1074690"	185.083258	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1112275"	371.173792	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1343190"	371.261407	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1018279"	375.300576	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1532033"	376.294208	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"998478"	188.153926	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1596265"	377.208828	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1419736"	407.240338	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1148321"	208.667201	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1698484"	424.266885	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1645072"	429.22228	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1576348"	445.19622	"C02159"	"Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"806716"	504.169	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M"	0
"975266"	485.15061	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"75054"	335.105390666667	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"518501"	503.161724	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"894610"	167.049057333333	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"10995"	503.161724	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"454321"	755.246224	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"828356"	251.077224	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"92356"	1007.330724	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"522439"	1511.499724	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"903519"	503.161724	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"53522"	1024.357271	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"490896"	1528.526271	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"869791"	520.188271	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"39878"	1029.312666	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"477252"	1533.481666	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"851773"	525.143666	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1627869"	525.143666	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"107314"	521.150063	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"543958"	773.234563	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"942503"	269.065563	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"281260"	1043.307402	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"671735"	1547.476402	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1286327"	539.138402	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"29503"	1045.286606	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"469179"	1549.455606	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"845156"	541.117606	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1568280"	541.117606	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"956531"	549.167194	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"374381"	1053.336201	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"354252"	1067.351851	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1508154"	563.182851	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"970993"	571.149151	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"125496"	539.138402	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"563472"	791.222902	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1036921"	287.053902	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1256912"	583.087885	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1317582"	585.143872	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1332890"	607.125829	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"925409"	617.154586	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1302117"	653.131264	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1380276"	469.156324	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1388660"	487.1663	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"296002"	1009.345276	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"684049"	1513.514276	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1361494"	505.176276	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"134386"	505.176276	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"578326"	757.260776	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1044937"	253.091776	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"213932"	337.119942666667	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"653499"	505.176276	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1172718"	169.063609333333	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"434897"	1026.371823	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"792612"	1530.540823	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1686026"	522.202823	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"332845"	513.6895495	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"728548"	765.7740495	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1482368"	261.6050495	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"396674"	1031.327218	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"758762"	1535.496218	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1612329"	527.158218	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"323460"	516.167247	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"718066"	768.251747	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1472980"	264.082747	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1062943"	176.390923333333	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1267908"	537.202486	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"381016"	1047.301158	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"740922"	1551.470158	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1542247"	543.132158	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"299788"	524.154217	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"695855"	776.238717	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1448582"	272.069717	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"238276"	1050.371826	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1214266"	546.202826	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1199609"	273.605051	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"193209"	1053.30916	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"634959"	1557.47816	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1138465"	549.14016	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"185645"	527.158218	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"626423"	779.242718	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1127377"	275.073718	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1412359"	183.718237333333	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1443747"	551.181746	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"234412"	532.19124	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1522235"	565.23379	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"421195"	535.145188	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"782189"	787.229688	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1676333"	283.060688	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"261398"	1072.353768	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1235201"	568.184768	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1723356"	568.208293	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1182150"	191.045551333333	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1657512"	573.163688	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"161092"	1085.25704	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"598829"	1589.42604	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1087352"	581.08804	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"146352"	543.132158	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"585187"	795.216658	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1068551"	291.047658	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1099914"	583.102592	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1336736"	583.190207	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1006846"	587.229376	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1526674"	588.223008	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"996404"	294.118326	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1597465"	589.137628	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1419847"	619.169138	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1151226"	314.631601	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1698225"	636.195685	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1637527"	641.15108	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1576458"	657.12502	"C02160"	"Isomaltotriose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"806826"	212.0586	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M"	0
"974889"	193.04021	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-H2O-H"	-19.01839
"76257"	140.365124	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M-3H"	-3.021828
"516546"	211.051324	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M-3H"	-3.021828
"888158"	69.678924	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-3H"	-3.021828
"11106"	211.051324	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M-2H"	-2.014552
"449573"	317.080624	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M-2H"	-2.014552
"828466"	105.022024	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-2H"	-2.014552
"82990"	423.109924	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M-H"	-1.007276
"526925"	635.168524	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M-H"	-1.007276
"901446"	211.051324	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-H"	-1.007276
"53633"	440.136471	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M-2H+NH4"	16.019271
"494286"	652.195071	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M-2H+NH4"	16.019271
"875367"	228.077871	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-2H+NH4"	16.019271
"38894"	445.091866	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M-2H+Na"	20.974666
"477361"	657.150466	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M-2H+Na"	20.974666
"849210"	233.033266	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-2H+Na"	20.974666
"1627979"	233.033266	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Na-2H"	20.974666
"108517"	229.039663	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M-H+Cl"	33.962126
"546255"	335.068963	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M-H+Cl"	33.962126
"942752"	123.010363	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-H+Cl"	33.962126
"280519"	459.086602	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+Cl"	34.969402
"671845"	671.145202	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+Cl"	34.969402
"1286316"	247.028002	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Cl"	34.969402
"30703"	461.065806	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M-2H+K"	36.948606
"470750"	673.124406	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M-2H+K"	36.948606
"845633"	249.007206	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-2H+K"	36.948606
"1569850"	249.007206	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+K-2H"	36.948606
"956277"	257.056794	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-H+HCOOH"	44.998194
"375585"	469.115401	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+HCOOH-H"	44.998201
"354362"	483.131051	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+Hac-H"	59.013851
"1504657"	271.072451	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Hac-H"	59.013851
"970739"	279.038751	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-H+NaCOOH"	66.980151
"125120"	247.028002	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+2Cl"	69.938804
"565163"	353.057302	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+2Cl"	69.938804
"1036640"	140.998702	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2Cl"	69.938804
"1256820"	290.977485	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Br"	78.918885
"1314413"	293.033472	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Cl+HCOOH"	80.974872
"1330816"	315.015429	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Cl+NaCOOH"	102.956829
"920781"	325.044186	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M-H+CF3COOH"	112.985586
"1302227"	361.020864	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Cl+CF3COOH"	148.962264
"1379658"	177.045924	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H-2H2O"	-35.012676
"1396428"	195.0559	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H-H2O"	-17.0027
"293926"	425.124476	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+H"	1.007276
"684159"	637.183076	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+H"	1.007276
"1357233"	213.065876	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H"	1.007276
"131220"	213.065876	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+2H"	2.014552
"574062"	319.095176	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+2H"	2.014552
"1048327"	107.036576	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2H"	2.014552
"211855"	142.379676	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+3H"	3.021828
"655791"	213.065876	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+3H"	3.021828
"1176103"	71.693476	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+3H"	3.021828
"433914"	442.151023	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+NH4"	18.033823
"793816"	654.209623	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+NH4"	18.033823
"1684312"	230.092423	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+NH4"	18.033823
"334052"	221.5791495	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+H+NH4"	19.041099
"726472"	327.6084495	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+H+NH4"	19.041099
"1482478"	115.5498495	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H+NH4"	19.041099
"400065"	447.106418	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+Na"	22.989218
"756320"	659.165018	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+Na"	22.989218
"1606240"	235.047818	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Na"	22.989218
"324661"	224.056847	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+H+Na"	23.996494
"715988"	330.086147	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+H+Na"	23.996494
"1470902"	118.027547	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H+Na"	23.996494
"1056494"	79.02079	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2H+Na"	25.00377
"1267653"	245.092086	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+CH3OH+H"	33.033486
"383313"	463.080358	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+K"	38.963158
"748686"	675.138958	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+K"	38.963158
"1541262"	251.021758	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+K"	38.963158
"300991"	232.043817	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+H+K"	39.970434
"694872"	338.073117	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+H+K"	39.970434
"1451973"	126.014517	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H+K"	39.970434
"241669"	466.151026	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+ACN+H"	42.033826
"1214376"	254.092426	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+ACN+H"	42.033826
"1200447"	127.549851	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+ACN+2H"	43.041102
"196600"	469.08836	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+2Na-H"	44.97116
"638351"	681.14696	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+2Na-H"	44.97116
"1141856"	257.02976	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2Na-H"	44.97116
"187093"	235.047818	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+2Na"	45.978436
"626534"	341.077118	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+2Na"	45.978436
"1129921"	129.018518	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2Na"	45.978436
"1413079"	86.348104	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H+2Na"	46.985712
"1443737"	259.071346	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H+HCOOH"	47.012746
"233674"	240.08084	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+3H2O+2H"	56.04448
"1522712"	273.12339	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+IsoProp+H"	61.06479
"420939"	243.034788	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+Na+K"	61.952376
"781206"	349.064088	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+Na+K"	61.952376
"1678631"	137.005488	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Na+K"	61.952376
"265516"	488.132968	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+ACN+Na"	64.015768
"1240050"	276.074368	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+ACN+Na"	64.015768
"1721281"	276.097893	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+NH4+HCOOH"	64.039293
"1181167"	93.675418	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+3Na"	68.967654
"1656526"	281.053288	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Na+HCOOH"	68.994688
"162296"	501.03624	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+2K-H"	76.91904
"597846"	713.09484	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+2K-H"	76.91904
"1086001"	288.97764	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2K-H"	76.91904
"145370"	251.021758	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"2M+2K"	77.926316
"587117"	357.051058	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"3M+2K"	77.926316
"1069443"	144.992458	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2K"	77.926316
"1100574"	290.992192	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2K+H"	78.933592
"1337944"	291.079807	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+DMSO+H"	79.021207
"1016316"	295.118976	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2ACN+H"	83.060376
"1527879"	296.112608	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+IsoProp+Na+H"	84.054008
"996515"	148.063126	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+2ACN+2H"	84.067652
"1596482"	297.027228	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+K+HCOOH"	84.968628
"1421051"	327.058738	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+H+CF3COOH"	115.000138
"1149514"	168.576401	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+3ACN+2H"	125.094202
"1698704"	344.085285	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+NH4+CF3COOH"	132.026685
"1638730"	349.04068	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+Na+CF3COOH"	136.98208
"1576568"	365.01462	"C02161"	"2-Aminophenoxazin-3-one;3-Aminophenoxazone;Isophenoxazine"	"C12H8N2O2"	"212.0586"	"M+K+CF3COOH"	152.95602
"803654"	246.0528	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M"	0
"980466"	227.03441	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-H2O-H"	-19.01839
"69803"	163.027924	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M-3H"	-3.021828
"508270"	245.045524	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M-3H"	-3.021828
"895563"	81.010324	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-3H"	-3.021828
"12310"	245.045524	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M-2H"	-2.014552
"453692"	368.071924	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M-2H"	-2.014552
"830762"	122.019124	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-2H"	-2.014552
"86380"	491.098324	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M-H"	-1.007276
"530312"	737.151124	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M-H"	-1.007276
"904836"	245.045524	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-H"	-1.007276
"51920"	508.124871	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M-2H+NH4"	16.019271
"497676"	754.177671	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M-2H+NH4"	16.019271
"875477"	262.072071	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-2H+NH4"	16.019271
"43378"	513.080266	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M-2H+Na"	20.974666
"478564"	759.133066	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M-2H+Na"	20.974666
"850900"	267.027466	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-2H+Na"	20.974666
"1629182"	267.027466	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Na-2H"	20.974666
"102431"	263.033863	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M-H+Cl"	33.962126
"539803"	386.060263	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M-H+Cl"	33.962126
"928944"	140.007463	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-H+Cl"	33.962126
"270783"	527.075002	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+Cl"	34.969402
"670862"	773.127802	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+Cl"	34.969402
"1278888"	281.022202	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Cl"	34.969402
"30895"	529.054206	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M-2H+K"	36.948606
"471024"	775.107006	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M-2H+K"	36.948606
"847564"	283.001406	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-2H+K"	36.948606
"1570688"	283.001406	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+K-2H"	36.948606
"958420"	291.050994	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-H+HCOOH"	44.998194
"375695"	537.103801	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+HCOOH-H"	44.998201
"354472"	551.119451	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+Hac-H"	59.013851
"1505860"	305.066651	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Hac-H"	59.013851
"970483"	313.032951	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-H+NaCOOH"	66.980151
"125352"	281.022202	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+2Cl"	69.938804
"565274"	404.048602	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+2Cl"	69.938804
"1035043"	157.995802	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2Cl"	69.938804
"1257012"	324.971685	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Br"	78.918885
"1317803"	327.027672	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Cl+HCOOH"	80.974872
"1335300"	349.009629	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Cl+NaCOOH"	102.956829
"925994"	359.038386	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M-H+CF3COOH"	112.985586
"1304119"	395.015064	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Cl+CF3COOH"	148.962264
"1377945"	211.040124	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H-2H2O"	-35.012676
"1397996"	229.0501	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H-H2O"	-17.0027
"295129"	493.112876	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+H"	1.007276
"684269"	739.165676	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+H"	1.007276
"1364996"	247.060076	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H"	1.007276
"136796"	247.060076	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+2H"	2.014552
"575265"	370.086476	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+2H"	2.014552
"1048436"	124.033676	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2H"	2.014552
"213058"	165.042476	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+3H"	3.021828
"656994"	247.060076	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+3H"	3.021828
"1176943"	83.024876	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+3H"	3.021828
"437302"	510.139423	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+NH4"	18.033823
"796111"	756.192223	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+NH4"	18.033823
"1685882"	264.086623	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+NH4"	18.033823
"338535"	255.5733495	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+H+NH4"	19.041099
"729864"	378.5997495	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+H+NH4"	19.041099
"1485869"	132.5469495	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H+NH4"	19.041099
"401270"	515.094818	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+Na"	22.989218
"757523"	761.147618	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+Na"	22.989218
"1609266"	269.042018	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Na"	22.989218
"327323"	258.051047	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+H+Na"	23.996494
"719378"	381.077447	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+H+Na"	23.996494
"1473200"	135.024647	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H+Na"	23.996494
"1060976"	90.35219	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2H+Na"	25.00377
"1267398"	279.086286	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+CH3OH+H"	33.033486
"387797"	531.068758	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+K"	38.963158
"747703"	777.121558	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+K"	38.963158
"1545384"	285.015958	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+K"	38.963158
"301830"	266.038017	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+H+K"	39.970434
"694616"	389.064417	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+H+K"	39.970434
"1449894"	143.011617	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H+K"	39.970434
"242873"	534.139426	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+ACN+H"	42.033826
"1215579"	288.086626	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+ACN+H"	42.033826
"1201650"	144.546951	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+ACN+2H"	43.041102
"196711"	537.07676	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+2Na-H"	44.97116
"637368"	783.12956	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+2Na-H"	44.97116
"1140873"	291.02396	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2Na-H"	44.97116
"187445"	269.042018	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+2Na"	45.978436
"626643"	392.068418	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+2Na"	45.978436
"1129055"	146.015618	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2Na"	45.978436
"1413638"	97.679504	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H+2Na"	46.985712
"1444212"	293.065546	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H+HCOOH"	47.012746
"234754"	274.07504	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+3H2O+2H"	56.04448
"1520634"	307.11759	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+IsoProp+H"	61.06479
"420321"	277.028988	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+Na+K"	61.952376
"782779"	400.055388	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+Na+K"	61.952376
"1677652"	154.002588	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Na+K"	61.952376
"260891"	556.121368	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+ACN+Na"	64.015768
"1238703"	310.068568	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+ACN+Na"	64.015768
"1723578"	310.092093	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+NH4+HCOOH"	64.039293
"1185651"	105.006818	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+3Na"	68.967654
"1662106"	315.047488	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Na+HCOOH"	68.994688
"164594"	569.02464	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+2K-H"	76.91904
"601235"	815.07744	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+2K-H"	76.91904
"1088666"	322.97184	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2K-H"	76.91904
"148762"	285.015958	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"2M+2K"	77.926316
"590510"	408.042358	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"3M+2K"	77.926316
"1073926"	161.989558	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2K"	77.926316
"1101421"	324.986392	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2K+H"	78.933592
"1342428"	325.074007	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+DMSO+H"	79.021207
"1018614"	329.113176	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2ACN+H"	83.060376
"1530176"	330.106808	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+IsoProp+Na+H"	84.054008
"998811"	165.060226	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+2ACN+2H"	84.067652
"1598780"	331.021428	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+K+HCOOH"	84.968628
"1422255"	361.052938	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+H+CF3COOH"	115.000138
"1152545"	185.573501	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+3ACN+2H"	125.094202
"1699907"	378.079485	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+NH4+CF3COOH"	132.026685
"1639934"	383.03488	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+Na+CF3COOH"	136.98208
"1576678"	399.00882	"C02162"	"Isopimpinellin;58-Dimethoxypsoralen"	"C13H10O5"	"246.0528"	"M+K+CF3COOH"	152.95602
"803765"	336.2301	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M"	0
"977299"	317.21171	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"74290"	223.146124	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"517137"	335.222824	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"892752"	111.069424	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"14606"	335.222824	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"455140"	503.337874	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"830873"	167.107774	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"86491"	671.452924	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"526050"	1007.683024	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"903852"	335.222824	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"51665"	688.479471	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"494508"	1024.709571	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"871215"	352.249371	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"38022"	693.434866	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"475397"	1029.664966	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"852105"	357.204766	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1628199"	357.204766	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"102541"	353.211163	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"538821"	521.326213	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"933432"	185.096113	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"276363"	707.429602	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"669880"	1043.659702	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1288002"	371.199502	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"29588"	709.408806	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"468780"	1045.638906	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"846585"	373.178706	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1569707"	373.178706	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"954673"	381.228294	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"370700"	717.458401	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"359689"	731.474051	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1503053"	395.243951	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"972421"	403.210251	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"123877"	371.199502	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"561614"	539.314552	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1035517"	203.084452	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1244532"	415.148985	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1311354"	417.204972	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1331037"	439.186929	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"924280"	449.215686	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1301717"	485.192364	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1382314"	301.217424	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1396649"	319.2274	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"297064"	673.467476	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"682200"	1009.697576	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1360380"	337.237376	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"134722"	337.237376	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"576469"	505.352426	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1046363"	169.122326	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"215358"	225.160676	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"654918"	337.237376	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1169770"	113.083976	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"431945"	690.494023	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"790753"	1026.724123	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1685989"	354.263923	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"334270"	345.7506495	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"727056"	513.8656995	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1480877"	177.6355995	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"394694"	695.449418	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"763467"	1031.679518	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1612660"	359.219318	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"323787"	348.228347	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"717300"	516.343397	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1471120"	180.113297	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1055622"	120.41129	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1260582"	369.263586	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"384632"	711.423358	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"745626"	1047.653458	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1542211"	375.193258	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"301940"	356.215317	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"694725"	524.330367	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1450006"	188.100267	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"241889"	714.494026	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1216788"	378.263926	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1199576"	189.635601	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"199011"	717.43136	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"640758"	1053.66146	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1146452"	381.20126	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"184280"	359.219318	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"625298"	527.334368	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1130624"	191.104268	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1413664"	127.738604	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1444078"	383.242846	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"234747"	364.25234	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1524040"	397.29489	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"422615"	367.206288	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"780331"	535.321338	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1679578"	199.091238	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"265369"	736.475968	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1235897"	400.245868	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1724784"	400.269393	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1186855"	135.065918	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1657840"	405.224788	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"165798"	749.37924	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"600251"	1085.60934	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1096431"	413.14914	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"152153"	375.193258	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"595723"	543.308308	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1078413"	207.078208	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1108339"	415.163692	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1344726"	415.251307	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1014346"	419.290476	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1532473"	420.284108	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"998922"	210.148876	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1595614"	421.198728	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1422368"	451.230238	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1152652"	230.662151	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1702202"	468.256785	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1636761"	473.21218	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1572412"	489.18612	"C02165"	"Leukotriene B4;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-512-Dihydroxyicosa-681014-tetraenoate;LTB4"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"803875"	625.3033	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M"	0
"977409"	606.28491	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-H2O-H"	-19.01839
"76222"	415.861590666667	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M-3H"	-3.021828
"516155"	624.296024	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M-3H"	-3.021828
"894318"	207.427157333333	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-3H"	-3.021828
"14718"	624.296024	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M-2H"	-2.014552
"453912"	936.947674	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M-2H"	-2.014552
"829770"	311.644374	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-2H"	-2.014552
"87694"	1249.599324	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M-H"	-1.007276
"529440"	1874.902624	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M-H"	-1.007276
"905055"	624.296024	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-H"	-1.007276
"52869"	1266.625871	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M-2H+NH4"	16.019271
"496805"	1891.929171	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M-2H+NH4"	16.019271
"869139"	641.322571	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-2H+NH4"	16.019271
"38132"	1271.581266	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M-2H+Na"	20.974666
"475872"	1896.884566	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M-2H+Na"	20.974666
"858776"	646.277966	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-2H+Na"	20.974666
"1621017"	646.277966	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Na-2H"	20.974666
"102650"	642.284363	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M-H+Cl"	33.962126
"540025"	954.936013	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M-H+Cl"	33.962126
"929894"	329.632713	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-H+Cl"	33.962126
"276473"	1285.576002	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+Cl"	34.969402
"669990"	1910.879302	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+Cl"	34.969402
"1286771"	660.272702	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Cl"	34.969402
"27143"	1287.555206	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M-2H+K"	36.948606
"465610"	1912.858506	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M-2H+K"	36.948606
"847423"	662.251906	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-2H+K"	36.948606
"1568723"	662.251906	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+K-2H"	36.948606
"953326"	670.301494	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-H+HCOOH"	44.998194
"370810"	1295.604801	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+HCOOH-H"	44.998201
"360164"	1309.620451	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+Hac-H"	59.013851
"1503163"	684.317151	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Hac-H"	59.013851
"972166"	692.283451	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-H+NaCOOH"	66.980151
"123987"	660.272702	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+2Cl"	69.938804
"560631"	972.924352	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+2Cl"	69.938804
"1034534"	347.621052	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2Cl"	69.938804
"1251205"	704.222185	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Br"	78.918885
"1312557"	706.278172	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Cl+HCOOH"	80.974872
"1326772"	728.260129	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Cl+NaCOOH"	102.956829
"918923"	738.288886	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M-H+CF3COOH"	112.985586
"1301099"	774.265564	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Cl+CF3COOH"	148.962264
"1380356"	590.290624	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H-2H2O"	-35.012676
"1394572"	608.3006	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H-H2O"	-17.0027
"294258"	1251.613876	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+H"	1.007276
"679030"	1876.917176	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+H"	1.007276
"1360852"	626.310576	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H"	1.007276
"132645"	626.310576	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+2H"	2.014552
"577310"	938.962226	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+2H"	2.014552
"1045380"	313.658926	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2H"	2.014552
"217655"	417.876142666667	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+3H"	3.021828
"657217"	626.310576	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+3H"	3.021828
"1177532"	209.441709333333	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+3H"	3.021828
"433149"	1268.640423	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+NH4"	18.033823
"790865"	1893.943723	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+NH4"	18.033823
"1682821"	643.337123	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+NH4"	18.033823
"336568"	634.8238495	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+H+NH4"	19.041099
"727896"	947.4754995	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+H+NH4"	19.041099
"1480623"	322.1721995	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H+NH4"	19.041099
"399301"	1273.595818	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+Na"	22.989218
"762484"	1898.899118	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+Na"	22.989218
"1612766"	648.292518	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Na"	22.989218
"323896"	637.301547	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+H+Na"	23.996494
"719596"	949.953197	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+H+Na"	23.996494
"1472324"	324.649897	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H+Na"	23.996494
"1061199"	216.769023333333	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2H+Na"	25.00377
"1263972"	658.336786	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+CH3OH+H"	33.033486
"388023"	1289.569758	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+K"	38.963158
"750110"	1914.873058	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+K"	38.963158
"1542689"	664.266458	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+K"	38.963158
"303875"	645.288517	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+H+K"	39.970434
"695202"	957.940167	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+H+K"	39.970434
"1450116"	332.636867	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H+K"	39.970434
"244186"	1292.640426	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+ACN+H"	42.033826
"1215805"	667.337126	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+ACN+H"	42.033826
"1200779"	334.172201	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+ACN+2H"	43.041102
"199121"	1295.57776	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+2Na-H"	44.97116
"641598"	1920.88106	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+2Na-H"	44.97116
"1144376"	670.27446	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2Na-H"	44.97116
"185848"	648.292518	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+2Na"	45.978436
"626501"	960.944168	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+2Na"	45.978436
"1129642"	335.640868	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2Na"	45.978436
"1413693"	224.096337333333	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H+2Na"	46.985712
"1443096"	672.316046	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H+HCOOH"	47.012746
"235384"	653.32554	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+3H2O+2H"	56.04448
"1523645"	686.36809	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+IsoProp+H"	61.06479
"423455"	656.279488	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+Na+K"	61.952376
"781534"	968.931138	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+Na+K"	61.952376
"1679688"	343.627838	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Na+K"	61.952376
"266208"	1314.622368	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+ACN+Na"	64.015768
"1238922"	689.319068	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+ACN+Na"	64.015768
"1725988"	689.342593	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+NH4+HCOOH"	64.039293
"1189153"	231.423651333333	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+3Na"	68.967654
"1656858"	694.297988	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Na+HCOOH"	68.994688
"167001"	1327.52564	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+2K-H"	76.91904
"602184"	1952.82894	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+2K-H"	76.91904
"1091071"	702.22234	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2K-H"	76.91904
"148980"	664.266458	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"2M+2K"	77.926316
"596565"	976.918108	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"3M+2K"	77.926316
"1082777"	351.614808	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2K"	77.926316
"1107358"	704.236892	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2K+H"	78.933592
"1345930"	704.324507	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+DMSO+H"	79.021207
"1016643"	708.363676	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2ACN+H"	83.060376
"1532583"	709.357308	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+IsoProp+Na+H"	84.054008
"1000125"	354.685476	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+2ACN+2H"	84.067652
"1595724"	710.271928	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+K+HCOOH"	84.968628
"1420292"	740.303438	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+H+CF3COOH"	115.000138
"1152762"	375.198751	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+3ACN+2H"	125.094202
"1702312"	757.329985	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+NH4+CF3COOH"	132.026685
"1636872"	762.28538	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+Na+CF3COOH"	136.98208
"1576897"	778.25932	"C02166"	"Leukotriene C4;LTC4"	"C30H47N3O9S"	"625.3033"	"M+K+CF3COOH"	152.95602
"803985"	186.0164	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M"	0
"986267"	166.99801	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"66854"	123.003657333333	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"516630"	185.009124	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"893337"	60.9981906666667	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"13733"	185.009124	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"452198"	278.017324	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"828908"	92.000924	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"87804"	371.025524	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"529551"	557.041924	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"902249"	185.009124	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"51158"	388.052071	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"495822"	574.068471	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"869249"	202.035671	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"38242"	393.007466	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"476711"	579.023866	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"851959"	206.991066	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1621492"	206.991066	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"98020"	202.997463	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"539041"	296.005663	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"930369"	109.989263	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"276583"	407.002202	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"669007"	593.018602	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1287368"	220.985802	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"27253"	408.981406	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"469000"	594.997806	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"843525"	222.965006	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1568104"	222.965006	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"955261"	231.014594	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"373108"	417.031001	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"356994"	431.046651	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1502544"	245.030251	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"970088"	252.996551	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"121181"	220.985802	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"562564"	313.994002	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1034280"	127.977602	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1246936"	264.935285	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1311572"	266.991272	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1329066"	288.973229	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"921220"	299.001986	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1299021"	334.978664	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1377917"	151.003724	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1393590"	169.0137	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"293275"	373.040076	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"679140"	559.056476	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1362785"	187.023676	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"130569"	187.023676	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"577784"	280.031876	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1051205"	94.015476	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"216672"	125.018209333333	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"658420"	187.023676	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1177762"	63.0127426666667	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"431073"	390.066623	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"792068"	576.083023	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1685118"	204.050223	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"337772"	195.5369495	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"729101"	288.5451495	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1486202"	102.5287495	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"399411"	395.022018	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"764780"	581.038418	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1613970"	209.005618	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"324006"	198.014647	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"719706"	291.022847	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1473892"	105.006447	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1063131"	70.3400566666667	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1266635"	219.049886	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"390320"	410.995958	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"750221"	597.012358	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1542799"	224.979558	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"303985"	206.001617	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"697498"	299.009817	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1452412"	112.993417	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"241378"	414.066626	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1217008"	228.050226	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1201982"	114.528751	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"198138"	417.00396	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"640979"	603.02036	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1144121"	230.98756	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"183407"	209.005618	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"624789"	302.013818	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1125380"	115.997418	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1411091"	77.6673706666667	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1442112"	233.029146	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"232903"	214.03864	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1522056"	247.08119	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"423689"	216.992588	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"783467"	310.000788	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1679434"	123.984388	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"264496"	436.048568	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1237210"	250.032168	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1726097"	250.055693	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1189263"	84.9946846666667	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1658064"	255.011088	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"163829"	448.95184	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"600837"	634.96824	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1087899"	262.93544	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"147999"	224.979558	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"595215"	317.987758	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1081914"	131.971358	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1112937"	264.949992	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1351286"	265.037607	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1018943"	269.076776	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1532692"	270.070408	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"1001328"	135.042026	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1595834"	270.985028	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1421494"	301.016538	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1152875"	155.555301	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1701331"	318.043085	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1645731"	322.99848	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1583568"	338.97242	"C02167"	"Maleylpyruvate;Maleylpyruvic acid;3-Maleylpyruvate"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"804095"	241.1103	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M"	0
"980909"	222.09191	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-H2O-H"	-19.01839
"66964"	159.732924	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M-3H"	-3.021828
"518157"	240.103024	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M-3H"	-3.021828
"895231"	79.362824	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-3H"	-3.021828
"15181"	240.103024	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M-2H"	-2.014552
"454494"	360.658174	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M-2H"	-2.014552
"832584"	119.547874	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-2H"	-2.014552
"91194"	481.213324	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M-H"	-1.007276
"533671"	722.323624	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M-H"	-1.007276
"910499"	240.103024	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-H"	-1.007276
"58557"	498.239871	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M-2H+NH4"	16.019271
"501156"	739.350171	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M-2H+NH4"	16.019271
"869724"	257.129571	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-2H+NH4"	16.019271
"38352"	503.195266	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M-2H+Na"	20.974666
"479008"	744.305566	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M-2H+Na"	20.974666
"851340"	262.084966	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-2H+Na"	20.974666
"1621601"	262.084966	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Na-2H"	20.974666
"98859"	258.091363	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M-H+Cl"	33.962126
"541338"	378.646513	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M-H+Cl"	33.962126
"930480"	137.536213	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-H+Cl"	33.962126
"273411"	517.190002	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+Cl"	34.969402
"672396"	758.300302	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+Cl"	34.969402
"1287720"	276.079702	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Cl"	34.969402
"27363"	519.169206	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M-2H+K"	36.948606
"466924"	760.279506	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M-2H+K"	36.948606
"843635"	278.058906	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-2H+K"	36.948606
"1567121"	278.058906	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+K-2H"	36.948606
"956099"	286.108494	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-H+HCOOH"	44.998194
"373218"	527.218801	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+HCOOH-H"	44.998201
"356011"	541.234451	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+Hac-H"	59.013851
"1502654"	300.124151	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Hac-H"	59.013851
"969105"	308.090451	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-H+NaCOOH"	66.980151
"120927"	276.079702	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+2Cl"	69.938804
"559758"	396.634852	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+2Cl"	69.938804
"1031838"	155.524552	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2Cl"	69.938804
"1245954"	320.029185	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Br"	78.918885
"1311683"	322.085172	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Cl+HCOOH"	80.974872
"1325896"	344.067129	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Cl+NaCOOH"	102.956829
"915859"	354.095886	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M-H+CF3COOH"	112.985586
"1295851"	390.072564	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Cl+CF3COOH"	148.962264
"1378027"	206.097624	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H-2H2O"	-35.012676
"1394794"	224.1076	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H-H2O"	-17.0027
"295572"	483.227876	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+H"	1.007276
"687636"	724.338176	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+H"	1.007276
"1359978"	242.117576	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H"	1.007276
"131773"	242.117576	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+2H"	2.014552
"573521"	362.672726	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+2H"	2.014552
"1048520"	121.562426	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2H"	2.014552
"214965"	161.747476	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+3H"	3.021828
"657077"	242.117576	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+3H"	3.021828
"1175562"	81.377376	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+3H"	3.021828
"431183"	500.254423	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+NH4"	18.033823
"793274"	741.364723	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+NH4"	18.033823
"1690698"	259.144123	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+NH4"	18.033823
"336789"	250.6308495	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+H+NH4"	19.041099
"725930"	371.1859995	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+H+NH4"	19.041099
"1487406"	130.0756995	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H+NH4"	19.041099
"405355"	505.209818	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+Na"	22.989218
"765986"	746.320118	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+Na"	22.989218
"1615540"	264.099518	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Na"	22.989218
"327396"	253.108547	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+H+Na"	23.996494
"720910"	373.663697	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+H+Na"	23.996494
"1475462"	132.553397	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H+Na"	23.996494
"1063971"	88.70469	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2H+Na"	25.00377
"1272544"	274.143786	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+CH3OH+H"	33.033486
"389336"	521.183758	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+K"	38.963158
"750331"	762.294058	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+K"	38.963158
"1543637"	280.073458	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+K"	38.963158
"305188"	261.095517	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+H+K"	39.970434
"698701"	381.650667	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+H+K"	39.970434
"1451063"	140.540367	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H+K"	39.970434
"240759"	524.254426	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+ACN+H"	42.033826
"1217112"	283.144126	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+ACN+H"	42.033826
"1199906"	142.075701	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+ACN+2H"	43.041102
"197155"	527.19176	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+2Na-H"	44.97116
"636715"	768.30206	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+2Na-H"	44.97116
"1141314"	286.08146	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2Na-H"	44.97116
"185335"	264.099518	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+2Na"	45.978436
"622710"	384.654668	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+2Na"	45.978436
"1127675"	143.544368	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2Na"	45.978436
"1411563"	96.032004	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H+2Na"	46.985712
"1443316"	288.123046	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H+HCOOH"	47.012746
"233375"	269.13254	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+3H2O+2H"	56.04448
"1520708"	302.17509	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+IsoProp+H"	61.06479
"420761"	272.086488	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+Na+K"	61.952376
"783215"	392.641638	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+Na+K"	61.952376
"1675534"	151.531338	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Na+K"	61.952376
"262786"	546.236368	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+ACN+Na"	64.015768
"1231854"	305.126068	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+ACN+Na"	64.015768
"1721834"	305.149593	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+NH4+HCOOH"	64.039293
"1188281"	103.359318	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+3Na"	68.967654
"1653071"	310.104988	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Na+HCOOH"	68.994688
"161025"	559.13964	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+2K-H"	76.91904
"603502"	800.24994	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+2K-H"	76.91904
"1088376"	318.02934	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2K-H"	76.91904
"149203"	280.073458	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"2M+2K"	77.926316
"596302"	400.628608	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"3M+2K"	77.926316
"1077650"	159.518308	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2K"	77.926316
"1114265"	320.043892	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2K+H"	78.933592
"1350529"	320.131507	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+DMSO+H"	79.021207
"1016866"	324.170676	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2ACN+H"	83.060376
"1532802"	325.164308	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+IsoProp+Na+H"	84.054008
"999252"	162.588976	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+2ACN+2H"	84.067652
"1591569"	326.078928	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+K+HCOOH"	84.968628
"1420511"	356.110438	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+H+CF3COOH"	115.000138
"1154080"	183.102251	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+3ACN+2H"	125.094202
"1700348"	373.136985	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+NH4+CF3COOH"	132.026685
"1640373"	378.09238	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+Na+CF3COOH"	136.98208
"1583678"	394.06632	"C02168"	"Mefenamic acid"	"C15H15NO2"	"241.1103"	"M+K+CF3COOH"	152.95602
"804205"	118.0266	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M"	0
"977739"	99.00821	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-H2O-H"	-19.01839
"63914"	77.677124	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M-3H"	-3.021828
"518507"	117.019324	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M-3H"	-3.021828
"891000"	38.334924	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-3H"	-3.021828
"11761"	117.019324	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M-2H"	-2.014552
"445855"	176.032624	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M-2H"	-2.014552
"823657"	58.006024	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-2H"	-2.014552
"89115"	235.045924	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M-H"	-1.007276
"529771"	353.072524	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M-H"	-1.007276
"902106"	117.019324	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-H"	-1.007276
"54294"	252.072471	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M-2H+NH4"	16.019271
"499322"	370.099071	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M-2H+NH4"	16.019271
"867647"	134.045871	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-2H+NH4"	16.019271
"37369"	257.027866	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M-2H+Na"	20.974666
"475838"	375.054466	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M-2H+Na"	20.974666
"850722"	139.001266	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-2H+Na"	20.974666
"1622074"	139.001266	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Na-2H"	20.974666
"101153"	135.007663	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M-H+Cl"	33.962126
"538893"	194.020963	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M-H+Cl"	33.962126
"930590"	75.994363	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-H+Cl"	33.962126
"273521"	271.022602	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+Cl"	34.969402
"671411"	389.049202	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+Cl"	34.969402
"1287343"	152.996002	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Cl"	34.969402
"28568"	273.001806	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M-2H+K"	36.948606
"468127"	391.028406	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M-2H+K"	36.948606
"846661"	154.975206	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-2H+K"	36.948606
"1567233"	154.975206	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+K-2H"	36.948606
"955116"	163.024794	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-H+HCOOH"	44.998194
"374421"	281.051401	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+HCOOH-H"	44.998201
"357214"	295.067051	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+Hac-H"	59.013851
"1502764"	177.040451	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Hac-H"	59.013851
"969215"	185.006751	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-H+NaCOOH"	66.980151
"121401"	152.996002	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+2Cl"	69.938804
"560961"	212.009302	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+2Cl"	69.938804
"1033041"	93.982702	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2Cl"	69.938804
"1247156"	196.945485	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Br"	78.918885
"1309606"	199.001472	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Cl+HCOOH"	80.974872
"1322726"	220.983429	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Cl+NaCOOH"	102.956829
"915969"	231.012186	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M-H+CF3COOH"	112.985586
"1295961"	266.988864	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Cl+CF3COOH"	148.962264
"1376315"	83.013924	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H-2H2O"	-35.012676
"1395269"	101.0239	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H-H2O"	-17.0027
"292401"	237.060476	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+H"	1.007276
"685558"	355.087076	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+H"	1.007276
"1358994"	119.033876	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H"	1.007276
"128967"	119.033876	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+2H"	2.014552
"569257"	178.047176	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+2H"	2.014552
"1042431"	60.020576	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2H"	2.014552
"212522"	79.691676	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+3H"	3.021828
"656821"	119.033876	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+3H"	3.021828
"1174578"	40.349476	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+3H"	3.021828
"429107"	254.087023	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+NH4"	18.033823
"789009"	372.113623	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+NH4"	18.033823
"1687526"	136.060423	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+NH4"	18.033823
"337991"	127.5471495	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+H+NH4"	19.041099
"727133"	186.5604495	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+H+NH4"	19.041099
"1483141"	68.5338495	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H+NH4"	19.041099
"401819"	259.042418	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+Na"	22.989218
"763909"	377.069018	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+Na"	22.989218
"1616377"	141.015818	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Na"	22.989218
"324227"	130.024847	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+H+Na"	23.996494
"717741"	189.038147	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+H+Na"	23.996494
"1474842"	71.011547	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H+Na"	23.996494
"1063352"	47.67679	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2H+Na"	25.00377
"1272567"	151.060086	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+CH3OH+H"	33.033486
"387259"	275.016358	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+K"	38.963158
"747161"	393.042958	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+K"	38.963158
"1545932"	156.989758	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+K"	38.963158
"303473"	138.011817	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+H+K"	39.970434
"695528"	197.025117	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+H+K"	39.970434
"1449350"	78.998517	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H+K"	39.970434
"242328"	278.087026	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+ACN+H"	42.033826
"1216129"	160.060426	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+ACN+H"	42.033826
"1202202"	80.533851	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+ACN+2H"	43.041102
"198358"	281.02436	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+2Na-H"	44.97116
"637918"	399.05096	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+2Na-H"	44.97116
"1138144"	162.99776	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2Na-H"	44.97116
"183622"	141.015818	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+2Na"	45.978436
"619903"	200.029118	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+2Na"	45.978436
"1128514"	82.002518	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2Na"	45.978436
"1409120"	55.004104	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H+2Na"	46.985712
"1443061"	165.039346	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H+HCOOH"	47.012746
"233485"	146.04884	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+3H2O+2H"	56.04448
"1520817"	179.09139	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+IsoProp+H"	61.06479
"417956"	149.002788	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+Na+K"	61.952376
"778223"	208.016088	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+Na+K"	61.952376
"1672368"	89.989488	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Na+K"	61.952376
"258888"	300.068968	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+ACN+Na"	64.015768
"1229413"	182.042368	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+ACN+Na"	64.015768
"1720485"	182.065893	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+NH4+HCOOH"	64.039293
"1180733"	62.331418	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+3Na"	68.967654
"1650663"	187.021288	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Na+HCOOH"	68.994688
"160037"	312.97224	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+2K-H"	76.91904
"600692"	430.99884	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+2K-H"	76.91904
"1085932"	194.94564	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2K-H"	76.91904
"144940"	156.989758	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"2M+2K"	77.926316
"594342"	216.003058	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"3M+2K"	77.926316
"1076663"	97.976458	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2K"	77.926316
"1110968"	196.960192	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2K+H"	78.933592
"1345168"	197.047807	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+DMSO+H"	79.021207
"1013696"	201.086976	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2ACN+H"	83.060376
"1530726"	202.080608	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+IsoProp+Na+H"	84.054008
"992072"	101.047126	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+2ACN+2H"	84.067652
"1591679"	202.995228	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+K+HCOOH"	84.968628
"1421714"	233.026738	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+H+CF3COOH"	115.000138
"1154190"	121.560401	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+3ACN+2H"	125.094202
"1704833"	250.053285	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+NH4+CF3COOH"	132.026685
"1640483"	255.00868	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+Na+CF3COOH"	136.98208
"1583788"	270.98262	"C02170"	"Methylmalonate;Methylmalonic acid"	"C4H6O4"	"118.0266"	"M+K+CF3COOH"	152.95602
"810878"	189.0426	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M"	0
"985505"	170.02421	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-H2O-H"	-19.01839
"72655"	125.021124	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M-3H"	-3.021828
"512215"	188.035324	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M-3H"	-3.021828
"894033"	62.006924	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-3H"	-3.021828
"11872"	188.035324	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M-2H"	-2.014552
"447057"	282.556624	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M-2H"	-2.014552
"827048"	93.514024	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-2H"	-2.014552
"85945"	377.077924	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M-H"	-1.007276
"523320"	566.120524	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M-H"	-1.007276
"906588"	188.035324	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-H"	-1.007276
"57684"	394.104471	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M-2H+NH4"	16.019271
"497244"	583.147071	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M-2H+NH4"	16.019271
"872860"	205.061871	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-2H+NH4"	16.019271
"33468"	399.059866	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M-2H+Na"	20.974666
"478135"	588.102466	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M-2H+Na"	20.974666
"850831"	210.017266	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-2H+Na"	20.974666
"1622187"	210.017266	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Na-2H"	20.974666
"102000"	206.023663	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M-H+Cl"	33.962126
"544844"	300.544963	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M-H+Cl"	33.962126
"937263"	111.502363	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-H+Cl"	33.962126
"280196"	413.054602	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+Cl"	34.969402
"674322"	602.097202	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+Cl"	34.969402
"1286123"	224.012002	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Cl"	34.969402
"29775"	415.033806	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M-2H+K"	36.948606
"466052"	604.076406	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M-2H+K"	36.948606
"846041"	225.991206	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-2H+K"	36.948606
"1566251"	225.991206	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+K-2H"	36.948606
"953040"	234.040794	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-H+HCOOH"	44.998194
"370162"	423.083401	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+HCOOH-H"	44.998201
"356233"	437.099051	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+Hac-H"	59.013851
"1503973"	248.056451	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Hac-H"	59.013851
"968233"	256.022751	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-H+NaCOOH"	66.980151
"119328"	224.012002	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+2Cl"	69.938804
"558887"	318.533302	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+2Cl"	69.938804
"1026596"	129.490702	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2Cl"	69.938804
"1245446"	267.961485	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Br"	78.918885
"1309717"	270.017472	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Cl+HCOOH"	80.974872
"1326118"	291.999429	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Cl+NaCOOH"	102.956829
"924469"	302.028186	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M-H+CF3COOH"	112.985586
"1297171"	338.004864	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Cl+CF3COOH"	148.962264
"1375337"	154.029924	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H-2H2O"	-35.012676
"1393558"	172.0399	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H-H2O"	-17.0027
"292520"	379.092476	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+H"	1.007276
"683848"	568.135076	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+H"	1.007276
"1359104"	190.049876	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H"	1.007276
"129078"	190.049876	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+2H"	2.014552
"574471"	284.571176	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+2H"	2.014552
"1046916"	95.528576	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2H"	2.014552
"214817"	127.035676	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+3H"	3.021828
"655473"	190.049876	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+3H"	3.021828
"1170319"	64.021476	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+3H"	3.021828
"427029"	396.119023	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+NH4"	18.033823
"797864"	585.161623	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+NH4"	18.033823
"1689821"	207.076423	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+NH4"	18.033823
"338100"	198.5631495	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+H+NH4"	19.041099
"730524"	293.0844495	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+H+NH4"	19.041099
"1484343"	104.0418495	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H+NH4"	19.041099
"404116"	401.074418	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+Na"	22.989218
"761829"	590.117018	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+Na"	22.989218
"1613208"	212.031818	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Na"	22.989218
"323245"	201.040847	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+H+Na"	23.996494
"716760"	295.562147	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+H+Na"	23.996494
"1470583"	106.519547	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H+Na"	23.996494
"1057269"	71.34879	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2H+Na"	25.00377
"1265514"	222.076086	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+CH3OH+H"	33.033486
"389556"	417.048358	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+K"	38.963158
"745083"	606.090958	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+K"	38.963158
"1543489"	228.005758	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+K"	38.963158
"303219"	209.027817	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+H+K"	39.970434
"701111"	303.549117	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+H+K"	39.970434
"1448367"	114.506517	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H+K"	39.970434
"243535"	420.119026	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+ACN+H"	42.033826
"1219527"	231.076426	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+ACN+H"	42.033826
"1205598"	116.041851	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+ACN+2H"	43.041102
"199562"	423.05636	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+2Na-H"	44.97116
"636934"	612.09896	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+2Na-H"	44.97116
"1142629"	234.01376	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2Na-H"	44.97116
"183732"	212.031818	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+2Na"	45.978436
"624023"	306.553118	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+2Na"	45.978436
"1121333"	117.510518	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2Na"	45.978436
"1408866"	78.676104	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H+2Na"	46.985712
"1445400"	236.055346	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H+HCOOH"	47.012746
"232864"	217.06484	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+3H2O+2H"	56.04448
"1519105"	250.10739	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+IsoProp+H"	61.06479
"417699"	220.018788	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+Na+K"	61.952376
"779789"	314.540088	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+Na+K"	61.952376
"1675027"	125.497488	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Na+K"	61.952376
"258631"	442.100968	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+ACN+Na"	64.015768
"1232072"	253.058368	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+ACN+Na"	64.015768
"1720595"	253.081893	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+NH4+HCOOH"	64.039293
"1182667"	86.003418	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+3Na"	68.967654
"1650121"	258.037288	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Na+HCOOH"	68.994688
"159055"	455.00424	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+2K-H"	76.91904
"597641"	644.04684	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+2K-H"	76.91904
"1088231"	265.96164	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2K-H"	76.91904
"144684"	228.005758	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"2M+2K"	77.926316
"585704"	322.527058	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"3M+2K"	77.926316
"1074587"	133.484458	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2K"	77.926316
"1111079"	267.976192	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2K+H"	78.933592
"1338350"	268.063807	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+DMSO+H"	79.021207
"1012713"	272.102976	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2ACN+H"	83.060376
"1527557"	273.096608	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+IsoProp+Na+H"	84.054008
"992912"	136.555126	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+2ACN+2H"	84.067652
"1596162"	274.011228	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+K+HCOOH"	84.968628
"1425102"	304.042738	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+H+CF3COOH"	115.000138
"1153205"	157.068401	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+3ACN+2H"	125.094202
"1697651"	321.069285	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+NH4+CF3COOH"	132.026685
"1637312"	326.02468	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+Na+CF3COOH"	136.98208
"1577340"	341.99862	"C02172"	"N-Acetylisatin;1-Acetylisatin"	"C10H7NO3"	"189.0426"	"M+K+CF3COOH"	152.95602
"805522"	173.9987	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M"	0
"982334"	154.98031	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H2O-H"	-19.01839
"76045"	114.991857333333	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-3H"	-3.021828
"515605"	172.991424	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-3H"	-3.021828
"891220"	56.9922906666667	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-3H"	-3.021828
"13076"	172.991424	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H"	-2.014552
"454340"	259.990774	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H"	-2.014552
"827160"	85.992074	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H"	-2.014552
"90433"	346.990124	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-H"	-1.007276
"528899"	520.988824	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-H"	-1.007276
"903419"	172.991424	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H"	-1.007276
"52326"	364.016671	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H+NH4"	16.019271
"491888"	538.015371	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H+NH4"	16.019271
"869689"	190.017971	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H+NH4"	16.019271
"33942"	368.972066	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H+Na"	20.974666
"473867"	542.970766	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H+Na"	20.974666
"849846"	194.973366	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H+Na"	20.974666
"1623395"	194.973366	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na-2H"	20.974666
"97738"	190.979763	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-H+Cl"	33.962126
"547874"	277.979113	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-H+Cl"	33.962126
"941880"	103.980413	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+Cl"	33.962126
"280189"	382.966802	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Cl"	34.969402
"672371"	556.965502	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+Cl"	34.969402
"1287328"	208.968102	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl"	34.969402
"28789"	384.946006	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M-2H+K"	36.948606
"467257"	558.944706	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M-2H+K"	36.948606
"845060"	210.947306	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-2H+K"	36.948606
"1565268"	210.947306	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K-2H"	36.948606
"949869"	218.996894	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+HCOOH"	44.998194
"368087"	392.995601	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+HCOOH-H"	44.998201
"355251"	407.011251	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Hac-H"	59.013851
"1500803"	233.012551	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Hac-H"	59.013851
"968344"	240.978851	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+NaCOOH"	66.980151
"122720"	208.968102	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2Cl"	69.938804
"561186"	295.967452	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2Cl"	69.938804
"1029984"	121.968752	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2Cl"	69.938804
"1244096"	252.917585	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Br"	78.918885
"1307639"	254.973572	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl+HCOOH"	80.974872
"1326228"	276.955529	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl+NaCOOH"	102.956829
"921668"	286.984286	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M-H+CF3COOH"	112.985586
"1299471"	322.960964	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Cl+CF3COOH"	148.962264
"1373261"	138.986024	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H-2H2O"	-35.012676
"1384193"	156.996	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H-H2O"	-17.0027
"284973"	349.004676	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H"	1.007276
"679584"	523.003376	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H"	1.007276
"1357025"	175.005976	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H"	1.007276
"133196"	175.005976	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2H"	2.014552
"572757"	262.005326	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2H"	2.014552
"1041563"	88.006626	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2H"	2.014552
"208369"	117.006409333333	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+3H"	3.021828
"650115"	175.005976	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+3H"	3.021828
"1169334"	59.0068426666667	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+3H"	3.021828
"432606"	366.031223	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+NH4"	18.033823
"791416"	540.029923	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+NH4"	18.033823
"1687748"	192.032523	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+NH4"	18.033823
"340395"	183.5192495	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H+NH4"	19.041099
"731723"	270.5185995	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H+NH4"	19.041099
"1481533"	96.5198995	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+NH4"	19.041099
"398754"	370.986618	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Na"	22.989218
"763028"	544.985318	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+Na"	22.989218
"1605660"	196.987918	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na"	22.989218
"324822"	185.996947	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H+Na"	23.996494
"715783"	272.996297	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H+Na"	23.996494
"1470337"	98.997597	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+Na"	23.996494
"1057748"	66.3341566666667	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2H+Na"	25.00377
"1263434"	207.032186	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+CH3OH+H"	33.033486
"385290"	386.960558	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+K"	38.963158
"739359"	560.959258	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+K"	38.963158
"1541779"	212.961858	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K"	38.963158
"303330"	193.983917	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+H+K"	39.970434
"700127"	280.983267	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+H+K"	39.970434
"1452852"	106.984567	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+K"	39.970434
"242552"	390.031226	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+ACN+H"	42.033826
"1215256"	216.032526	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+ACN+H"	42.033826
"1202425"	108.519901	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+ACN+2H"	43.041102
"202591"	392.96856	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2Na-H"	44.97116
"637044"	566.96726	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2Na-H"	44.97116
"1139458"	218.96986	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2Na-H"	44.97116
"184570"	196.987918	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2Na"	45.978436
"620122"	283.987268	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2Na"	45.978436
"1126180"	109.988568	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2Na"	45.978436
"1404965"	73.6614706666667	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+2Na"	46.985712
"1439633"	221.011446	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+HCOOH"	47.012746
"226777"	202.02094	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+3H2O+2H"	56.04448
"1515935"	235.06349	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+IsoProp+H"	61.06479
"411247"	204.974888	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+Na+K"	61.952376
"773336"	291.974238	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+Na+K"	61.952376
"1670033"	117.975538	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na+K"	61.952376
"258380"	412.013168	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+ACN+Na"	64.015768
"1228903"	238.014468	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+ACN+Na"	64.015768
"1717788"	238.037993	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+NH4+HCOOH"	64.039293
"1179498"	80.9887846666667	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+3Na"	68.967654
"1651577"	242.993388	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na+HCOOH"	68.994688
"157542"	424.91644	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2K-H"	76.91904
"604925"	598.91514	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2K-H"	76.91904
"1095998"	250.91774	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2K-H"	76.91904
"148439"	212.961858	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"2M+2K"	77.926316
"584717"	299.961208	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"3M+2K"	77.926316
"1070689"	125.962508	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2K"	77.926316
"1102439"	252.932292	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2K+H"	78.933592
"1339919"	253.019907	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+DMSO+H"	79.021207
"1008449"	257.059076	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2ACN+H"	83.060376
"1527667"	258.052708	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+IsoProp+Na+H"	84.054008
"999580"	129.033176	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+2ACN+2H"	84.067652
"1599552"	258.967328	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K+HCOOH"	84.968628
"1419745"	288.998838	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+H+CF3COOH"	115.000138
"1148941"	149.546451	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+3ACN+2H"	125.094202
"1699587"	306.025385	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+NH4+CF3COOH"	132.026685
"1637426"	310.98078	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+Na+CF3COOH"	136.98208
"1584013"	326.95472	"C02180"	"Phenylsulfate;Phenol sulfate"	"C6H6O4S"	"173.9987"	"M+K+CF3COOH"	152.95602
"804540"	152.0473	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M"	0
"984633"	133.02891	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"72875"	100.357590666667	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"517905"	151.040024	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"894611"	49.6751573333333	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"9906"	151.040024	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"454572"	227.063674	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"828363"	75.016374	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"91636"	303.087324	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"524634"	455.134624	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"905716"	151.040024	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"60090"	320.113871	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"491998"	472.161171	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"869799"	168.066571	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"34417"	325.069266	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"473124"	477.116566	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"849956"	173.021966	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1623505"	173.021966	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"97118"	169.028363	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"542879"	245.052013	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"939313"	93.004713	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"278233"	339.064002	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"672722"	491.111302	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1285618"	187.016702	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"28535"	341.043206	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"467367"	493.090506	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"844076"	188.995906	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1566473"	188.995906	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"954356"	197.045494	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"375494"	349.092801	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"360472"	363.108451	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1503101"	211.061151	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"972829"	219.027451	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"122830"	187.016702	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"563483"	263.040352	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1031188"	110.993052	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1245299"	230.966185	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1308842"	233.022172	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1327432"	255.004129	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"921779"	265.032886	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1299582"	301.009564	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1375558"	117.034624	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1385397"	135.0446	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"286176"	305.101876	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"682974"	457.149176	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1359322"	153.054576	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"134400"	153.054576	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"572866"	229.078226	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1046046"	77.030926	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"209572"	102.372142666667	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"651319"	153.054576	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1169444"	51.6897093333333	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"431625"	322.128423	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"791526"	474.175723	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1690043"	170.081123	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"339412"	161.5678495	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"732926"	237.5914995	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1483466"	85.5441995	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"406153"	327.083818	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"763139"	479.131118	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1605770"	175.036518	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"323472"	164.045547	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"715893"	240.069197	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1469716"	88.021897	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1058586"	59.0170233333333	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1259171"	185.080786	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"382120"	343.057758	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"739222"	495.105058	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1546263"	191.010458	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"307450"	172.032517	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"699872"	248.056167	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1452969"	96.008867	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"241570"	346.128426	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1217560"	194.081126	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1200349"	97.544201	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"198688"	349.06576	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"633874"	501.11306	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1140661"	197.01846	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"180672"	175.036518	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"623513"	251.060168	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1125924"	99.012868	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1406899"	66.3443373333333	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1440837"	199.060046	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"232355"	180.06954	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1514950"	213.11209	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"413912"	183.023488	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"777824"	259.047138	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1670873"	106.999838	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"259581"	368.110368	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1230106"	216.063068	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1714616"	216.086593	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1179484"	73.6716513333333	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1653146"	221.041988	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"160370"	381.01364	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"597373"	533.06094	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1085533"	228.96634	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"143443"	191.010458	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"583006"	267.034108	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1070070"	114.986808	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1103643"	230.980892	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1338206"	231.068507	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1007466"	235.107676	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1526684"	236.101308	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"992035"	118.057476	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1593100"	237.015928	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1419855"	267.047438	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1149051"	138.570751	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1699697"	284.073985	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1637536"	289.02938	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1584123"	305.00332	"C02181"	"Phenoxyacetate;Phenoxyacetic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"816480"	126.0317	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M"	0
"988391"	107.01331	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-H2O-H"	-19.01839
"78536"	83.0138573333333	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M-3H"	-3.021828
"518527"	125.024424	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M-3H"	-3.021828
"895337"	41.0032906666667	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-3H"	-3.021828
"14391"	125.024424	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M-2H"	-2.014552
"454318"	188.040274	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M-2H"	-2.014552
"832363"	62.008574	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-2H"	-2.014552
"91628"	251.056124	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M-H"	-1.007276
"532157"	377.087824	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M-H"	-1.007276
"903640"	125.024424	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-H"	-1.007276
"55826"	268.082671	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M-2H+NH4"	16.019271
"491742"	394.114371	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M-2H+NH4"	16.019271
"866991"	142.050971	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-2H+NH4"	16.019271
"35256"	273.038066	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M-2H+Na"	20.974666
"473233"	399.069766	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M-2H+Na"	20.974666
"851524"	147.006366	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-2H+Na"	20.974666
"1626895"	147.006366	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Na-2H"	20.974666
"99051"	143.012763	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M-H+Cl"	33.962126
"546635"	206.028613	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M-H+Cl"	33.962126
"940516"	79.996913	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-H+Cl"	33.962126
"276156"	287.032802	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+Cl"	34.969402
"673439"	413.064502	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+Cl"	34.969402
"1287185"	161.001102	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Cl"	34.969402
"25726"	289.012006	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M-2H+K"	36.948606
"468571"	415.043706	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M-2H+K"	36.948606
"846375"	162.980306	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-2H+K"	36.948606
"1563303"	162.980306	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+K-2H"	36.948606
"956653"	171.029894	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-H+HCOOH"	44.998194
"376210"	297.061601	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+HCOOH-H"	44.998201
"359851"	311.077251	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+Hac-H"	59.013851
"1508074"	185.045551	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Hac-H"	59.013851
"972943"	193.011851	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-H+NaCOOH"	66.980151
"120754"	161.001102	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+2Cl"	69.938804
"561408"	224.016952	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+2Cl"	69.938804
"1028020"	97.985252	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2Cl"	69.938804
"1247600"	204.950585	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Br"	78.918885
"1316610"	207.006572	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Cl+HCOOH"	80.974872
"1328639"	228.988529	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Cl+NaCOOH"	102.956829
"924074"	239.017286	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M-H+CF3COOH"	112.985586
"1300784"	274.993964	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Cl+CF3COOH"	148.962264
"1374574"	91.019024	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H-2H2O"	-35.012676
"1387330"	109.029	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H-H2O"	-17.0027
"287379"	253.070676	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+H"	1.007276
"680167"	379.102376	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+H"	1.007276
"1358340"	127.038976	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H"	1.007276
"132324"	127.038976	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+2H"	2.014552
"572979"	190.054826	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+2H"	2.014552
"1046154"	64.023126	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2H"	2.014552
"215152"	85.0284093333333	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+3H"	3.021828
"653617"	127.038976	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+3H"	3.021828
"1171742"	43.0178426666667	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+3H"	3.021828
"433922"	270.097223	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+NH4"	18.033823
"790545"	396.128923	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+NH4"	18.033823
"1687967"	144.065523	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+NH4"	18.033823
"339527"	135.5522495	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+H+NH4"	19.041099
"731943"	198.5680995	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+H+NH4"	19.041099
"1486858"	72.5363995	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H+NH4"	19.041099
"400071"	275.052618	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+Na"	22.989218
"762159"	401.084318	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+Na"	22.989218
"1608070"	149.020918	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Na"	22.989218
"327234"	138.029947	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+H+Na"	23.996494
"721112"	201.045797	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+H+Na"	23.996494
"1476027"	75.014097	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H+Na"	23.996494
"1066961"	50.3451566666667	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2H+Na"	25.00377
"1265843"	159.065186	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+CH3OH+H"	33.033486
"386605"	291.026558	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+K"	38.963158
"749788"	417.058258	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+K"	38.963158
"1550747"	164.994858	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+K"	38.963158
"311206"	146.016917	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+H+K"	39.970434
"701442"	209.032767	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+H+K"	39.970434
"1451986"	83.001067	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H+K"	39.970434
"246049"	294.097226	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+ACN+H"	42.033826
"1218763"	168.065526	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+ACN+H"	42.033826
"1201552"	84.536401	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+ACN+2H"	43.041102
"198799"	297.03456	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+2Na-H"	44.97116
"638359"	423.06626	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+2Na-H"	44.97116
"1139677"	171.00286	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2Na-H"	44.97116
"185156"	149.020918	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+2Na"	45.978436
"622529"	212.036768	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+2Na"	45.978436
"1128225"	86.005068	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2Na"	45.978436
"1409196"	57.6724706666667	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H+2Na"	46.985712
"1441311"	173.044446	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H+HCOOH"	47.012746
"231373"	154.05394	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+3H2O+2H"	56.04448
"1520528"	187.09649	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+IsoProp+H"	61.06479
"422042"	157.007888	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+Na+K"	61.952376
"777934"	220.023738	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+Na+K"	61.952376
"1676452"	93.992038	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Na+K"	61.952376
"261878"	316.079168	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+ACN+Na"	64.015768
"1231312"	190.047468	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+ACN+Na"	64.015768
"1720197"	190.070993	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+NH4+HCOOH"	64.039293
"1185552"	64.9997846666667	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+3Na"	68.967654
"1653258"	195.026388	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Na+HCOOH"	68.994688
"162304"	328.98244	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+2K-H"	76.91904
"606238"	455.01414	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+2K-H"	76.91904
"1091842"	202.95074	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2K-H"	76.91904
"151938"	164.994858	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"2M+2K"	77.926316
"589313"	228.010708	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"3M+2K"	77.926316
"1079294"	101.979008	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2K"	77.926316
"1109224"	204.965292	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2K+H"	78.933592
"1345606"	205.052907	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+DMSO+H"	79.021207
"1011950"	209.092076	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2ACN+H"	83.060376
"1534448"	210.085708	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+IsoProp+Na+H"	84.054008
"999804"	105.049676	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+2ACN+2H"	84.067652
"1596493"	211.000328	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+K+HCOOH"	84.968628
"1425432"	241.031838	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+H+CF3COOH"	115.000138
"1152442"	125.562951	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+3ACN+2H"	125.094202
"1699806"	258.058385	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+NH4+CF3COOH"	132.026685
"1636549"	263.01378	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+Na+CF3COOH"	136.98208
"1575485"	278.98772	"C02183"	"Phloroglucinol;135-Benzenetriol;135-Trihydroxybenzene"	"C6H6O3"	"126.0317"	"M+K+CF3COOH"	152.95602
"804759"	206.1307	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M"	0
"989109"	187.11231	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-H2O-H"	-19.01839
"75283"	136.413190666667	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M-3H"	-3.021828
"517030"	205.123424	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M-3H"	-3.021828
"891551"	67.7029573333333	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-3H"	-3.021828
"10126"	205.123424	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M-2H"	-2.014552
"454792"	308.188774	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M-2H"	-2.014552
"831864"	102.058074	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-2H"	-2.014552
"91856"	411.254124	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M-H"	-1.007276
"532508"	617.384824	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M-H"	-1.007276
"903749"	205.123424	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-H"	-1.007276
"59216"	428.280671	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M-2H+NH4"	16.019271
"491121"	634.411371	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M-2H+NH4"	16.019271
"870382"	222.149971	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-2H+NH4"	16.019271
"33543"	433.236066	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M-2H+Na"	20.974666
"473587"	639.366766	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M-2H+Na"	20.974666
"850178"	227.105366	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-2H+Na"	20.974666
"1622629"	227.105366	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Na-2H"	20.974666
"102441"	223.111763	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M-H+Cl"	33.962126
"549419"	326.177113	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M-H+Cl"	33.962126
"940626"	120.046413	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-H+Cl"	33.962126
"278089"	447.230802	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+Cl"	34.969402
"675213"	653.361502	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+Cl"	34.969402
"1286568"	241.100102	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Cl"	34.969402
"29853"	449.210006	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M-2H+K"	36.948606
"469047"	655.340706	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M-2H+K"	36.948606
"844299"	243.079306	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-2H+K"	36.948606
"1566695"	243.079306	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+K-2H"	36.948606
"956400"	251.128894	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-H+HCOOH"	44.998194
"375348"	457.259601	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+HCOOH-H"	44.998201
"359718"	471.275251	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+Hac-H"	59.013851
"1506968"	265.144551	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Hac-H"	59.013851
"968677"	273.110851	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-H+NaCOOH"	66.980151
"121957"	241.100102	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+2Cl"	69.938804
"559331"	344.165452	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+2Cl"	69.938804
"1031409"	138.034752	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2Cl"	69.938804
"1252085"	285.049585	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Br"	78.918885
"1317815"	287.105572	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Cl+HCOOH"	80.974872
"1326562"	309.087529	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Cl+NaCOOH"	102.956829
"924184"	319.116286	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M-H+CF3COOH"	112.985586
"1300894"	355.092964	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Cl+CF3COOH"	148.962264
"1375780"	171.118024	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H-2H2O"	-35.012676
"1388171"	189.128	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H-H2O"	-17.0027
"288586"	413.268676	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+H"	1.007276
"679915"	619.399376	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+H"	1.007276
"1358451"	207.137976	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H"	1.007276
"136808"	207.137976	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+2H"	2.014552
"571997"	310.203326	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+2H"	2.014552
"1047360"	104.072626	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2H"	2.014552
"214169"	138.427742666667	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+3H"	3.021828
"653728"	207.137976	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+3H"	3.021828
"1171854"	69.7175093333333	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+3H"	3.021828
"436221"	430.295223	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+NH4"	18.033823
"790653"	636.425923	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+NH4"	18.033823
"1685891"	224.164523	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+NH4"	18.033823
"341820"	215.6512495	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+H+NH4"	19.041099
"732057"	318.7165995	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+H+NH4"	19.041099
"1486971"	112.5858995	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H+NH4"	19.041099
"404555"	435.250618	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+Na"	22.989218
"764457"	641.381318	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+Na"	22.989218
"1611459"	229.119918	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Na"	22.989218
"326979"	218.128947	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+H+Na"	23.996494
"720493"	321.194297	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+H+Na"	23.996494
"1472126"	115.063597	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H+Na"	23.996494
"1065368"	77.0448233333333	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2H+Na"	25.00377
"1262674"	239.164186	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+CH3OH+H"	33.033486
"383435"	451.224558	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+K"	38.963158
"743337"	657.355258	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+K"	38.963158
"1548671"	245.093858	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+K"	38.963158
"309130"	226.115917	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+H+K"	39.970434
"698273"	329.181267	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+H+K"	39.970434
"1453189"	123.050567	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H+K"	39.970434
"241787"	454.295226	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+ACN+H"	42.033826
"1218873"	248.164526	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+ACN+H"	42.033826
"1200569"	124.585901	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+ACN+2H"	43.041102
"198909"	457.23256	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+2Na-H"	44.97116
"638469"	663.36326	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+2Na-H"	44.97116
"1141975"	251.10186	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2Na-H"	44.97116
"184901"	229.119918	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+2Na"	45.978436
"621545"	332.185268	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+2Na"	45.978436
"1127969"	126.054568	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2Na"	45.978436
"1406390"	84.3721373333333	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H+2Na"	46.985712
"1441057"	253.143446	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H+HCOOH"	47.012746
"232576"	234.15294	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+3H2O+2H"	56.04448
"1520638"	267.19549	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+IsoProp+H"	61.06479
"420329"	237.106888	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+Na+K"	61.952376
"779142"	340.172238	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+Na+K"	61.952376
"1676564"	134.041538	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Na+K"	61.952376
"261991"	476.277168	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+ACN+Na"	64.015768
"1228140"	270.146468	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+ACN+Na"	64.015768
"1714473"	270.169993	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+NH4+HCOOH"	64.039293
"1179465"	91.6994513333333	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+3Na"	68.967654
"1649958"	275.125388	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Na+HCOOH"	68.994688
"157675"	489.18044	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+2K-H"	76.91904
"599787"	695.31114	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+2K-H"	76.91904
"1087579"	283.04974	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2K-H"	76.91904
"145488"	245.093858	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"2M+2K"	77.926316
"583955"	348.159208	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"3M+2K"	77.926316
"1073937"	142.028508	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2K"	77.926316
"1103866"	285.064292	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2K+H"	78.933592
"1341343"	285.151907	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+DMSO+H"	79.021207
"1010967"	289.191076	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2ACN+H"	83.060376
"1527996"	290.184708	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+IsoProp+Na+H"	84.054008
"995539"	145.099176	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+2ACN+2H"	84.067652
"1593323"	291.099328	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+K+HCOOH"	84.968628
"1418981"	321.130838	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+H+CF3COOH"	115.000138
"1151459"	165.612451	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+3ACN+2H"	125.094202
"1703199"	338.157385	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+NH4+CF3COOH"	132.026685
"1639943"	343.11278	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+Na+CF3COOH"	136.98208
"1584343"	359.08672	"C02185"	"Plastoquinol-1"	"C13H18O2"	"206.1307"	"M+K+CF3COOH"	152.95602
"804872"	562.258	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M"	0
"984968"	543.23961	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-H2O-H"	-19.01839
"71022"	373.831390666667	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M-3H"	-3.021828
"508398"	561.250724	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M-3H"	-3.021828
"881215"	186.412057333333	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-3H"	-3.021828
"555"	561.250724	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M-2H"	-2.014552
"441781"	842.379724	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M-2H"	-2.014552
"819582"	280.121724	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-2H"	-2.014552
"79937"	1123.508724	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M-H"	-1.007276
"520713"	1685.766724	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M-H"	-1.007276
"897664"	561.250724	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-H"	-1.007276
"50214"	1140.535271	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M-2H+NH4"	16.019271
"489778"	1702.793271	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M-2H+NH4"	16.019271
"873417"	578.277271	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-2H+NH4"	16.019271
"46626"	1145.490666	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M-2H+Na"	20.974666
"486797"	1707.748666	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M-2H+Na"	20.974666
"859776"	583.232666	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-2H+Na"	20.974666
"1633204"	583.232666	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Na-2H"	20.974666
"108033"	579.239063	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M-H+Cl"	33.962126
"548683"	860.368063	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M-H+Cl"	33.962126
"938194"	298.110063	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-H+Cl"	33.962126
"277481"	1159.485402	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+Cl"	34.969402
"671724"	1721.743402	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+Cl"	34.969402
"1283399"	597.227402	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Cl"	34.969402
"27048"	1161.464606	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M-2H+K"	36.948606
"466610"	1723.722606	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M-2H+K"	36.948606
"845143"	599.206606	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-2H+K"	36.948606
"1565714"	599.206606	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+K-2H"	36.948606
"957244"	607.256194	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-H+HCOOH"	44.998194
"370718"	1169.514201	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+HCOOH-H"	44.998201
"354600"	1183.529851	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+Hac-H"	59.013851
"1504527"	621.271851	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Hac-H"	59.013851
"965506"	629.238151	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-H+NaCOOH"	66.980151
"119880"	597.227402	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+2Cl"	69.938804
"560537"	878.356402	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+2Cl"	69.938804
"1032617"	316.098402	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2Cl"	69.938804
"1253294"	641.176885	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Br"	78.918885
"1316471"	643.232872	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Cl+HCOOH"	80.974872
"1328865"	665.214829	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Cl+NaCOOH"	102.956829
"924669"	675.243586	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M-H+CF3COOH"	112.985586
"1299916"	711.220264	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Cl+CF3COOH"	148.962264
"1375891"	527.245324	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H-2H2O"	-35.012676
"1394481"	545.2553	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H-H2O"	-17.0027
"297088"	1125.523276	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+H"	1.007276
"689508"	1687.781276	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+H"	1.007276
"1365127"	563.265276	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H"	1.007276
"138750"	563.265276	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+2H"	2.014552
"575391"	844.394276	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+2H"	2.014552
"1046379"	282.136276	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2H"	2.014552
"216100"	375.845942666667	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+3H"	3.021828
"657117"	563.265276	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+3H"	3.021828
"1171962"	188.426609333333	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+3H"	3.021828
"433049"	1142.549823	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+NH4"	18.033823
"789669"	1704.807823	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+NH4"	18.033823
"1690374"	580.291823	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+NH4"	18.033823
"337556"	571.7785495	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+H+NH4"	19.041099
"723903"	852.9075495	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+H+NH4"	19.041099
"1479062"	290.6495495	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H+NH4"	19.041099
"401394"	1147.505218	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+Na"	22.989218
"764575"	1709.763218	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+Na"	22.989218
"1612674"	585.247218	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Na"	22.989218
"323806"	574.256247	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+H+Na"	23.996494
"714038"	855.385247	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+H+Na"	23.996494
"1465673"	293.127247	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H+Na"	23.996494
"1057825"	195.753923333333	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2H+Na"	25.00377
"1263878"	595.291486	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+CH3OH+H"	33.033486
"384645"	1163.479158	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+K"	38.963158
"744548"	1725.737158	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+K"	38.963158
"1548791"	601.221158	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+K"	38.963158
"309246"	582.243217	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+H+K"	39.970434
"703492"	863.372217	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+H+K"	39.970434
"1458041"	301.114217	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H+K"	39.970434
"250293"	1166.549826	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+ACN+H"	42.033826
"1224096"	604.291826	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+ACN+H"	42.033826
"1208703"	302.649551	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+ACN+2H"	43.041102
"202671"	1169.48716	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+2Na-H"	44.97116
"642595"	1731.74516	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+2Na-H"	44.97116
"1143913"	607.22916	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2Na-H"	44.97116
"184284"	585.247218	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+2Na"	45.978436
"623848"	866.376218	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+2Na"	45.978436
"1128087"	304.118218	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2Na"	45.978436
"1409061"	203.081237333333	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H+2Na"	46.985712
"1442996"	609.270746	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H+HCOOH"	47.012746
"228317"	590.28024	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+3H2O+2H"	56.04448
"1520392"	623.32279	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+IsoProp+H"	61.06479
"417162"	593.234188	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+Na+K"	61.952376
"778159"	874.363188	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+Na+K"	61.952376
"1671210"	312.105188	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Na+K"	61.952376
"254450"	1188.531768	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+ACN+Na"	64.015768
"1226550"	626.273768	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+ACN+Na"	64.015768
"1718229"	626.297293	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+NH4+HCOOH"	64.039293
"1183584"	210.408551333333	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+3Na"	68.967654
"1652383"	631.252688	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Na+HCOOH"	68.994688
"159607"	1201.43504	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+2K-H"	76.91904
"598315"	1763.69304	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+2K-H"	76.91904
"1085867"	639.17704	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2K-H"	76.91904
"143412"	601.221158	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"2M+2K"	77.926316
"584068"	882.350158	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"3M+2K"	77.926316
"1071859"	320.092158	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2K"	77.926316
"1102880"	641.191592	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2K+H"	78.933592
"1341454"	641.279207	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+DMSO+H"	79.021207
"1007790"	645.318376	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2ACN+H"	83.060376
"1526281"	646.312008	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+IsoProp+Na+H"	84.054008
"992371"	323.162826	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+2ACN+2H"	84.067652
"1592347"	647.226628	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+K+HCOOH"	84.968628
"1419097"	677.258138	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+H+CF3COOH"	115.000138
"1151576"	343.676101	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+3ACN+2H"	125.094202
"1702222"	694.284685	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+NH4+CF3COOH"	132.026685
"1640059"	699.24008	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+Na+CF3COOH"	136.98208
"1574616"	715.21402	"C02191"	"Protoporphyrin;Protoporphyrin IX;Porphyrinogen IX"	"C34H34N4O4"	"562.258"	"M+K+CF3COOH"	152.95602
"811545"	103.0269	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M"	0
"987265"	84.00851	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-H2O-H"	-19.01839
"73321"	67.677324	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M-3H"	-3.021828
"509601"	102.019624	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M-3H"	-3.021828
"883029"	33.335024	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-3H"	-3.021828
"993"	102.019624	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M-2H"	-2.014552
"442257"	153.533074	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M-2H"	-2.014552
"818235"	50.506174	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-2H"	-2.014552
"79683"	205.046524	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M-H"	-1.007276
"520338"	308.073424	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M-H"	-1.007276
"897408"	102.019624	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-H"	-1.007276
"49594"	222.073071	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M-2H+NH4"	16.019271
"489160"	325.099971	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M-2H+NH4"	16.019271
"868059"	119.046171	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-2H+NH4"	16.019271
"39241"	227.028466	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M-2H+Na"	20.974666
"484269"	330.055366	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M-2H+Na"	20.974666
"859886"	124.001566	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-2H+Na"	20.974666
"1630520"	124.001566	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Na-2H"	20.974666
"108871"	120.007963	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M-H+Cl"	33.962126
"547700"	171.521413	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M-H+Cl"	33.962126
"935753"	68.494513	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-H+Cl"	33.962126
"276497"	241.023202	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+Cl"	34.969402
"670012"	344.050102	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+Cl"	34.969402
"1283509"	137.996302	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Cl"	34.969402
"26066"	243.002406	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M-2H+K"	36.948606
"467815"	346.029306	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M-2H+K"	36.948606
"844161"	139.975506	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-2H+K"	36.948606
"1569472"	139.975506	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+K-2H"	36.948606
"956263"	148.025094	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-H+HCOOH"	44.998194
"370828"	251.052001	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+HCOOH-H"	44.998201
"357992"	265.067651	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+Hac-H"	59.013851
"1503545"	162.040751	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Hac-H"	59.013851
"966711"	170.007051	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-H+NaCOOH"	66.980151
"116710"	137.996302	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+2Cl"	69.938804
"560647"	189.509752	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+2Cl"	69.938804
"1032727"	86.482852	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2Cl"	69.938804
"1251217"	181.945785	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Br"	78.918885
"1310750"	184.001772	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Cl+HCOOH"	80.974872
"1328977"	205.983729	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Cl+NaCOOH"	102.956829
"922225"	216.012486	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M-H+CF3COOH"	112.985586
"1300026"	251.989164	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Cl+CF3COOH"	148.962264
"1376001"	68.014224	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H-2H2O"	-35.012676
"1394591"	86.0242	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H-H2O"	-17.0027
"298250"	207.061076	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+H"	1.007276
"689982"	310.087976	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+H"	1.007276
"1363050"	104.034176	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H"	1.007276
"139224"	104.034176	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+2H"	2.014552
"575501"	155.547626	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+2H"	2.014552
"1045393"	52.520726	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2H"	2.014552
"216939"	69.691876	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+3H"	3.021828
"655039"	104.034176	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+3H"	3.021828
"1174260"	35.349576	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+3H"	3.021828
"430972"	224.087623	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+NH4"	18.033823
"789780"	327.114523	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+NH4"	18.033823
"1692307"	121.060723	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+NH4"	18.033823
"337666"	112.5474495	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+H+NH4"	19.041099
"724987"	164.0608995	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+H+NH4"	19.041099
"1479538"	61.0339995	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H+NH4"	19.041099
"402597"	229.043018	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+Na"	22.989218
"765778"	332.069918	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+Na"	22.989218
"1614972"	126.016118	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Na"	22.989218
"323916"	115.025147	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+H+Na"	23.996494
"714149"	166.538597	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+H+Na"	23.996494
"1466873"	63.511697	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H+Na"	23.996494
"1059028"	42.67689	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2H+Na"	25.00377
"1262894"	136.060386	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+CH3OH+H"	33.033486
"382571"	245.016958	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+K"	38.963158
"743568"	348.043858	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+K"	38.963158
"1545619"	141.990058	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+K"	38.963158
"306077"	123.012117	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+H+K"	39.970434
"698496"	174.525567	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+H+K"	39.970434
"1450130"	71.498667	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H+K"	39.970434
"248577"	248.087626	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+ACN+H"	42.033826
"1221649"	145.060726	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+ACN+H"	42.033826
"1208088"	73.034001	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+ACN+2H"	43.041102
"200227"	251.02496	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+2Na-H"	44.97116
"642344"	354.05186	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+2Na-H"	44.97116
"1146575"	147.99806	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2Na-H"	44.97116
"186218"	126.016118	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+2Na"	45.978436
"626147"	177.529568	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+2Na"	45.978436
"1129289"	74.502668	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2Na"	45.978436
"1411357"	50.004204	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H+2Na"	46.985712
"1444563"	150.039646	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H+HCOOH"	47.012746
"228434"	131.04914	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+3H2O+2H"	56.04448
"1518316"	164.09169	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+IsoProp+H"	61.06479
"417272"	134.003088	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+Na+K"	61.952376
"779364"	185.516538	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+Na+K"	61.952376
"1676788"	82.489638	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Na+K"	61.952376
"255654"	270.069568	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+ACN+Na"	64.015768
"1230548"	167.042668	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+ACN+Na"	64.015768
"1716154"	167.066193	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+NH4+HCOOH"	64.039293
"1182601"	57.331518	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+3Na"	68.967654
"1651520"	172.021588	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Na+HCOOH"	68.994688
"161539"	282.97284	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+2K-H"	76.91904
"600005"	385.99974	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+2K-H"	76.91904
"1085977"	179.94594	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2K-H"	76.91904
"143279"	141.990058	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"2M+2K"	77.926316
"585273"	193.503508	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"3M+2K"	77.926316
"1071969"	90.476608	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2K"	77.926316
"1106272"	181.960492	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2K+H"	78.933592
"1341564"	182.048107	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+DMSO+H"	79.021207
"1008995"	186.087276	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2ACN+H"	83.060376
"1526392"	187.080908	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+IsoProp+Na+H"	84.054008
"992481"	93.547276	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+2ACN+2H"	84.067652
"1592457"	187.995528	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+K+HCOOH"	84.968628
"1420301"	218.027038	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+H+CF3COOH"	115.000138
"1151686"	114.060551	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+3ACN+2H"	125.094202
"1702332"	235.053585	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+NH4+CF3COOH"	132.026685
"1640169"	240.00898	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+Na+CF3COOH"	136.98208
"1575819"	255.98292	"C02193"	"Pyruvate oxime"	"C3H5NO3"	"103.0269"	"M+K+CF3COOH"	152.95602
"808375"	328.1708	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M"	0
"987011"	309.15241	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-H2O-H"	-19.01839
"73431"	217.773257333333	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M-3H"	-3.021828
"510805"	327.163524	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M-3H"	-3.021828
"886419"	108.382990666667	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-3H"	-3.021828
"2806"	327.163524	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M-2H"	-2.014552
"445647"	491.248924	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M-2H"	-2.014552
"820168"	163.078124	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-2H"	-2.014552
"82346"	655.334324	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M-H"	-1.007276
"521909"	983.505124	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M-H"	-1.007276
"898615"	327.163524	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-H"	-1.007276
"51895"	672.360871	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M-2H+NH4"	16.019271
"489272"	1000.531671	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M-2H+NH4"	16.019271
"870356"	344.190071	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-2H+NH4"	16.019271
"43726"	677.316266	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M-2H+Na"	20.974666
"484380"	1005.487066	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M-2H+Na"	20.974666
"859996"	349.145466	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-2H+Na"	20.974666
"1631361"	349.145466	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Na-2H"	20.974666
"104973"	345.151863	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M-H+Cl"	33.962126
"546717"	509.237263	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M-H+Cl"	33.962126
"932583"	181.066463	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-H+Cl"	33.962126
"276607"	691.311002	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+Cl"	34.969402
"667936"	1019.481802	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+Cl"	34.969402
"1281432"	363.140202	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Cl"	34.969402
"22529"	693.290206	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M-2H+K"	36.948606
"467925"	1021.461006	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M-2H+K"	36.948606
"843539"	365.119406	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-2H+K"	36.948606
"1563750"	365.119406	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+K-2H"	36.948606
"956008"	373.168994	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-H+HCOOH"	44.998194
"368752"	701.339801	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+HCOOH-H"	44.998201
"354824"	715.355451	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+Hac-H"	59.013851
"1501470"	387.184651	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Hac-H"	59.013851
"966821"	395.150951	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-H+NaCOOH"	66.980151
"118278"	363.140202	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+2Cl"	69.938804
"562944"	527.225602	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+2Cl"	69.938804
"1031744"	199.054802	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2Cl"	69.938804
"1253511"	407.089685	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Br"	78.918885
"1313777"	409.145672	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Cl+HCOOH"	80.974872
"1326897"	431.127629	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Cl+NaCOOH"	102.956829
"923429"	441.156386	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M-H+CF3COOH"	112.985586
"1299043"	477.133064	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Cl+CF3COOH"	148.962264
"1378298"	293.158124	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H-2H2O"	-35.012676
"1394701"	311.1681	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H-H2O"	-17.0027
"298400"	657.348876	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+H"	1.007276
"689728"	985.519676	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+H"	1.007276
"1363160"	329.178076	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H"	1.007276
"140428"	329.178076	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+2H"	2.014552
"578891"	493.263476	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+2H"	2.014552
"1048784"	165.092676	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2H"	2.014552
"216320"	219.787809333333	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+3H"	3.021828
"654056"	329.178076	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+3H"	3.021828
"1176193"	110.397542666667	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+3H"	3.021828
"433268"	674.375423	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+NH4"	18.033823
"794264"	1002.546223	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+NH4"	18.033823
"1692782"	346.204623	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+NH4"	18.033823
"337778"	337.6913495	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+H+NH4"	19.041099
"728012"	501.7767495	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+H+NH4"	19.041099
"1480741"	173.6059495	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H+NH4"	19.041099
"404893"	679.330818	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+Na"	22.989218
"761514"	1007.501618	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+Na"	22.989218
"1615082"	351.160018	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Na"	22.989218
"320744"	340.169047	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+H+Na"	23.996494
"716445"	504.254447	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+H+Na"	23.996494
"1464797"	176.083647	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H+Na"	23.996494
"1054396"	117.724856666667	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2H+Na"	25.00377
"1258264"	361.204286	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+CH3OH+H"	33.033486
"385958"	695.304758	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+K"	38.963158
"743677"	1023.475558	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+K"	38.963158
"1545730"	367.133958	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+K"	38.963158
"305092"	348.156017	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+H+K"	39.970434
"697513"	512.241417	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+H+K"	39.970434
"1450237"	184.070617	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H+K"	39.970434
"244310"	698.375426	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+ACN+H"	42.033826
"1221393"	370.204626	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+ACN+H"	42.033826
"1206737"	185.605951	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+ACN+2H"	43.041102
"200337"	701.31276	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+2Na-H"	44.97116
"642451"	1029.48356	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+2Na-H"	44.97116
"1144498"	373.14196	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2Na-H"	44.97116
"183412"	351.160018	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+2Na"	45.978436
"625163"	515.245418	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+2Na"	45.978436
"1126483"	187.074618	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2Na"	45.978436
"1410006"	125.052170666667	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H+2Na"	46.985712
"1442120"	375.183546	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H+HCOOH"	47.012746
"232911"	356.19304	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+3H2O+2H"	56.04448
"1521704"	389.23559	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+IsoProp+H"	61.06479
"420298"	359.146988	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+Na+K"	61.952376
"779109"	523.232388	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+Na+K"	61.952376
"1676898"	195.061588	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Na+K"	61.952376
"257950"	720.357368	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+ACN+Na"	64.015768
"1229565"	392.186568	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+ACN+Na"	64.015768
"1714806"	392.210093	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+NH4+HCOOH"	64.039293
"1180525"	132.379484666667	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+3Na"	68.967654
"1650170"	397.165488	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Na+HCOOH"	68.994688
"157639"	733.26064	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+2K-H"	76.91904
"598292"	1061.43144	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+2K-H"	76.91904
"1084629"	405.08984	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2K-H"	76.91904
"141807"	367.133958	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"2M+2K"	77.926316
"585018"	531.219358	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"3M+2K"	77.926316
"1070986"	203.048558	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2K"	77.926316
"1102737"	407.104392	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2K+H"	78.933592
"1342767"	407.192007	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+DMSO+H"	79.021207
"1009104"	411.231176	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2ACN+H"	83.060376
"1526142"	412.224808	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+IsoProp+Na+H"	84.054008
"993684"	206.119226	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+2ACN+2H"	84.067652
"1590380"	413.139428	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+K+HCOOH"	84.968628
"1421506"	443.170938	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+H+CF3COOH"	115.000138
"1155076"	226.632501	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+3ACN+2H"	125.094202
"1702442"	460.197485	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+NH4+CF3COOH"	132.026685
"1643560"	465.15288	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+Na+CF3COOH"	136.98208
"1578116"	481.12682	"C02195"	"Steryl sulfate"	"C17H28O4S"	"328.1708"	"M+K+CF3COOH"	152.95602
"811766"	300.1725	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M"	0
"982017"	281.15411	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"71354"	199.107724	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"507634"	299.165224	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"884343"	99.050224	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"1823"	299.165224	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"449039"	449.251474	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"821373"	149.078974	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"90114"	599.337724	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"525299"	899.510224	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"897753"	299.165224	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"50908"	616.364271	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"492664"	916.536771	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"870467"	316.191771	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"35086"	621.319666	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"484129"	921.492166	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"857925"	321.147166	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1630742"	321.147166	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"102898"	317.153563	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"542459"	467.239813	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"932328"	167.067313	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"273802"	635.314402	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"665494"	935.486902	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1280444"	335.141902	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"25192"	637.293606	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"466940"	937.466106	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"845109"	337.121106	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1566412"	337.121106	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"949551"	345.170694	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"371415"	645.343201	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"354931"	659.358851	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1504131"	359.186351	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"968026"	367.152651	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"115845"	335.141902	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"560869"	485.228152	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1026390"	185.055652	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1249251"	379.091385	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1308416"	381.147372	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1333212"	403.129329	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"925726"	413.158086	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1296966"	449.134764	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1378408"	265.159824	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1395914"	283.1698	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"297544"	601.352276	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"689840"	901.524776	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1364733"	301.179776	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"138351"	301.179776	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"578637"	451.266026	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1041240"	151.093526	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"217887"	201.122276	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"651981"	301.179776	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1167921"	101.064776	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"427911"	618.378823	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"791093"	918.551323	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1690701"	318.206323	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"331330"	309.6930495	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"729219"	459.7792995	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1489608"	159.6067995	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"402819"	623.334218	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"767824"	923.506718	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1610819"	323.161718	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"319761"	312.170747	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"709997"	462.256997	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1464178"	162.084497	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1055972"	108.39209	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1259841"	333.205986	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"383882"	639.308158	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"743786"	939.480658	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1546934"	339.135658	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"304109"	320.157717	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"692154"	470.243967	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1453632"	170.071467	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"235869"	642.378826	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1212390"	342.206326	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1198460"	171.606801	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"198257"	645.31616	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"638551"	945.48866	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1140233"	345.14366	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"178785"	323.161718	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"616157"	473.247968	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1121125"	173.075468	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1406836"	115.719404	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1443326"	347.185246	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"230834"	328.19474	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1520359"	361.23729	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"420773"	331.148688	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"781771"	481.234938	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1674821"	181.062438	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"259154"	664.360768	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1230768"	364.188268	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1716374"	364.211793	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1179053"	123.046718	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1654900"	369.167188	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"159573"	677.26404	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"598283"	977.43654	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1085099"	377.09154	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"142767"	339.135658	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"583301"	489.221908	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1074376"	189.049408	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1101389"	379.106092	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1337404"	379.193707	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1008486"	383.232876	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1526249"	384.226508	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"997077"	192.120076	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1590489"	385.141128	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1416148"	415.172638	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1147650"	212.633351	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1697810"	432.199185	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1640390"	437.15458	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1574947"	453.12852	"C02197"	"Testolactone"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"814428"	352.225	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M"	0
"989054"	333.20661	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"74745"	233.809390666667	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"509932"	351.217724	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"886641"	116.401057333333	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"8494"	351.217724	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"451337"	527.330224	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"825858"	175.105224	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"91317"	703.442724	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"531970"	1055.667724	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"906491"	351.217724	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"52120"	720.469271	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"501648"	1072.694271	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"878113"	368.244271	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"43944"	725.424666	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"485331"	1077.649666	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"861318"	373.199666	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1627574"	373.199666	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"103009"	369.206063	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"542570"	545.318563	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"933898"	193.093563	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"275734"	739.419402	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"668156"	1091.644402	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1280556"	387.194402	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"28584"	741.398606	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"467050"	1093.623606	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"845584"	389.173606	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1566159"	389.173606	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"955134"	397.223194	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"372255"	749.448201	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"356137"	763.463851	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1502783"	411.238851	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"968138"	419.205151	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"119235"	387.194402	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"559886"	563.306902	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1029784"	211.081902	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1250454"	431.143885	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1313998"	433.199872	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1330406"	455.181829	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"924743"	465.210586	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1300358"	501.187264	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1378518"	317.212324	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1396024"	335.2223	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"297168"	705.457276	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"690686"	1057.682276	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1366828"	353.232276	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H"	1.007276
"141294"	353.232276	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"574738"	529.344776	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1046817"	177.119776	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"218728"	235.823942666667	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"655373"	353.232276	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1173500"	118.415609333333	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"434585"	722.483823	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"792298"	1074.708823	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1688630"	370.258823	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"340190"	361.7455495	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"732611"	537.8580495	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1490812"	185.6330495	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"407183"	727.439218	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"769236"	1079.664218	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1612022"	375.214218	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"320965"	364.223247	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"711202"	540.335747	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1465384"	188.110747	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1056082"	125.742923333333	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1261044"	385.258486	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"379619"	743.413158	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"743895"	1095.638158	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1550325"	391.188158	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+K"	38.963158
"305314"	372.210217	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"696640"	548.322717	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1458483"	196.097717	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"247811"	746.483826	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1219428"	394.258826	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1205501"	197.633051	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"198369"	749.42116	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"637932"	1101.64616	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1142531"	397.19616	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"185822"	375.214218	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"621011"	551.326718	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1125610"	199.101718	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1413265"	133.070237333333	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1445142"	399.237746	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"235550"	380.24724	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1517922"	413.28979	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"418701"	383.201188	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"778602"	559.313688	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1676025"	207.088688	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"260359"	768.465768	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1235252"	416.240768	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1719766"	416.264293	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1189493"	140.397551333333	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1654282"	421.219688	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"162965"	781.36904	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"600339"	1133.59404	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1085942"	429.14404	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"147134"	391.188158	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"588881"	567.300658	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1073396"	215.075658	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1112071"	431.158592	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1339706"	431.246207	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1010424"	435.285376	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1525632"	436.279008	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"996093"	218.146326	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1590599"	437.193628	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1415166"	467.225138	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1147274"	238.659601	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1700473"	484.251685	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1640500"	489.20708	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1575057"	505.18102	"C02198"	"Thromboxane A2;(5Z13E)-(15S)-9alpha11alpha-Epoxy-15-hydroxythromboxa-513-dienoate;(5Z9alpha11alpha13E15S)-911-Epoxy-15-hydroxythromboxa-513-dien-1-oic acid;TXA2"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"811986"	550.0601	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M"	0
"982237"	531.04171	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-H2O-H"	-19.01839
"72667"	365.699457333333	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M-3H"	-3.021828
"503478"	549.052824	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M-3H"	-3.021828
"883469"	182.346090666667	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-3H"	-3.021828
"2043"	549.052824	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M-2H"	-2.014552
"449259"	824.082874	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M-2H"	-2.014552
"822686"	274.022774	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-2H"	-2.014552
"90334"	1099.112924	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M-H"	-1.007276
"523332"	1649.173024	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M-H"	-1.007276
"901134"	549.052824	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-H"	-1.007276
"50039"	1116.139471	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M-2H+NH4"	16.019271
"496165"	1666.199571	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M-2H+NH4"	16.019271
"870687"	566.079371	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-2H+NH4"	16.019271
"41867"	1121.094866	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M-2H+Na"	20.974666
"485443"	1671.154966	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M-2H+Na"	20.974666
"861426"	571.034766	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-2H+Na"	20.974666
"1633637"	571.034766	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Na-2H"	20.974666
"107856"	567.041163	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M-H+Cl"	33.962126
"547780"	842.071213	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M-H+Cl"	33.962126
"939473"	292.011113	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-H+Cl"	33.962126
"278030"	1135.089602	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+Cl"	34.969402
"673368"	1685.149702	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+Cl"	34.969402
"1280666"	585.029502	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Cl"	34.969402
"30154"	1137.068806	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M-2H+K"	36.948606
"469711"	1687.128906	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M-2H+K"	36.948606
"845692"	587.008706	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-2H+K"	36.948606
"1569912"	587.008706	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+K-2H"	36.948606
"955608"	595.058294	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-H+HCOOH"	44.998194
"374187"	1145.118401	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+HCOOH-H"	44.998201
"358798"	1159.134051	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+Hac-H"	59.013851
"1504715"	609.073951	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Hac-H"	59.013851
"968976"	617.040251	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-H+NaCOOH"	66.980151
"118981"	585.029502	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+2Cl"	69.938804
"561454"	860.059552	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+2Cl"	69.938804
"1027706"	309.999452	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2Cl"	69.938804
"1245460"	628.978985	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Br"	78.918885
"1308639"	631.034972	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Cl+HCOOH"	80.974872
"1332703"	653.016929	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Cl+NaCOOH"	102.956829
"924853"	663.045686	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M-H+CF3COOH"	112.985586
"1299374"	699.022364	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Cl+CF3COOH"	148.962264
"1379721"	515.047424	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H-2H2O"	-35.012676
"1397593"	533.0574	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H-H2O"	-17.0027
"297890"	1101.127476	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+H"	1.007276
"691039"	1651.187576	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+H"	1.007276
"1364220"	551.067376	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H"	1.007276
"140390"	551.067376	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+2H"	2.014552
"574848"	826.097426	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+2H"	2.014552
"1046927"	276.037326	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2H"	2.014552
"219970"	367.714009333333	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+3H"	3.021828
"657306"	551.067376	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+3H"	3.021828
"1175796"	184.360642666667	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+3H"	3.021828
"436881"	1118.154023	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+NH4"	18.033823
"797875"	1668.214123	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+NH4"	18.033823
"1692020"	568.093923	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+NH4"	18.033823
"340300"	559.5806495	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+H+NH4"	19.041099
"734907"	834.6106995	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+H+NH4"	19.041099
"1483258"	284.5505995	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H+NH4"	19.041099
"407049"	1123.109418	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+Na"	22.989218
"769748"	1673.169518	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+Na"	22.989218
"1615410"	573.049318	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Na"	22.989218
"322169"	562.058347	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+H+Na"	23.996494
"712039"	837.088397	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+H+Na"	23.996494
"1465494"	287.028297	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H+Na"	23.996494
"1057285"	191.687956666667	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2H+Na"	25.00377
"1264433"	583.093586	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+CH3OH+H"	33.033486
"380821"	1139.083358	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+K"	38.963158
"742911"	1689.143458	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+K"	38.963158
"1548246"	589.023258	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+K"	38.963158
"307609"	570.045317	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+H+K"	39.970434
"700029"	845.075367	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+H+K"	39.970434
"1458228"	295.015267	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H+K"	39.970434
"247921"	1142.154026	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+ACN+H"	42.033826
"1219538"	592.093926	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+ACN+H"	42.033826
"1205610"	296.550601	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+ACN+2H"	43.041102
"198115"	1145.09136	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+2Na-H"	44.97116
"638041"	1695.15146	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+2Na-H"	44.97116
"1143735"	595.03126	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2Na-H"	44.97116
"180464"	573.049318	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+2Na"	45.978436
"620027"	848.079368	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+2Na"	45.978436
"1127906"	298.019268	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2Na"	45.978436
"1412160"	199.015270666667	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H+2Na"	46.985712
"1445331"	597.072846	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H+HCOOH"	47.012746
"235067"	578.08234	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+3H2O+2H"	56.04448
"1520218"	611.12489	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+IsoProp+H"	61.06479
"419904"	581.036288	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+Na+K"	61.952376
"779806"	856.066338	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+Na+K"	61.952376
"1678687"	306.006238	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Na+K"	61.952376
"261561"	1164.135968	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+ACN+Na"	64.015768
"1237549"	614.075868	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+ACN+Na"	64.015768
"1723156"	614.099393	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+NH4+HCOOH"	64.039293
"1186323"	206.342584666667	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+3Na"	68.967654
"1654392"	619.054788	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Na+HCOOH"	68.994688
"158702"	1177.03924	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+2K-H"	76.91904
"600447"	1727.09934	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+2K-H"	76.91904
"1086052"	626.97914	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2K-H"	76.91904
"145057"	589.023258	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"2M+2K"	77.926316
"585710"	864.053308	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"3M+2K"	77.926316
"1073503"	313.993208	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2K"	77.926316
"1108900"	628.993692	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2K+H"	78.933592
"1342003"	629.081307	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+DMSO+H"	79.021207
"1009441"	633.120476	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2ACN+H"	83.060376
"1525743"	634.114108	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+IsoProp+Na+H"	84.054008
"992922"	317.063876	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+2ACN+2H"	84.067652
"1591802"	635.028728	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+K+HCOOH"	84.968628
"1418554"	665.060238	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+H+CF3COOH"	115.000138
"1148115"	337.577151	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+3ACN+2H"	125.094202
"1700947"	682.086785	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+NH4+CF3COOH"	132.026685
"1641703"	687.04218	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+Na+CF3COOH"	136.98208
"1575167"	703.01612	"C02199"	"UDP-L-rhamnose;UDP-rhamnose;UDP-beta-L-rhamnose"	"C15H24N2O16P2"	"550.0601"	"M+K+CF3COOH"	152.95602
"814283"	565.071	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M"	0
"982347"	546.05261	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-H2O-H"	-19.01839
"71684"	375.706724	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M-3H"	-3.021828
"503030"	564.063724	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M-3H"	-3.021828
"882486"	187.349724	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-3H"	-3.021828
"1060"	564.063724	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H"	-2.014552
"448276"	846.599224	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H"	-2.014552
"822797"	281.528224	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-2H"	-2.014552
"87164"	1129.134724	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M-H"	-1.007276
"523442"	1694.205724	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M-H"	-1.007276
"901244"	564.063724	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-H"	-1.007276
"49423"	1146.161271	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+NH4"	16.019271
"492995"	1711.232271	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+NH4"	16.019271
"870797"	581.090271	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+NH4"	16.019271
"38697"	1151.116666	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+Na"	20.974666
"482271"	1716.187666	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+Na"	20.974666
"857162"	586.045666	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+Na"	20.974666
"1631799"	586.045666	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Na-2H"	20.974666
"108693"	582.052063	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M-H+Cl"	33.962126
"548253"	864.587563	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M-H+Cl"	33.962126
"939583"	299.516563	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-H+Cl"	33.962126
"278139"	1165.111402	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+Cl"	34.969402
"670561"	1730.182402	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+Cl"	34.969402
"1280775"	600.040402	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl"	34.969402
"30627"	1167.090606	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+K"	36.948606
"471158"	1732.161606	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+K"	36.948606
"847259"	602.019606	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+K"	36.948606
"1569294"	602.019606	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+K-2H"	36.948606
"956447"	610.069194	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-H+HCOOH"	44.998194
"373933"	1175.140201	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+HCOOH-H"	44.998201
"359272"	1189.155851	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+Hac-H"	59.013851
"1503732"	624.084851	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Hac-H"	59.013851
"969087"	632.051151	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-H+NaCOOH"	66.980151
"119819"	600.040402	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Cl"	69.938804
"560108"	882.575902	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Cl"	69.938804
"1023438"	317.504902	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2Cl"	69.938804
"1244113"	643.989885	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Br"	78.918885
"1305467"	646.045872	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+HCOOH"	80.974872
"1330260"	668.027829	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+NaCOOH"	102.956829
"918401"	678.056586	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M-H+CF3COOH"	112.985586
"1290005"	714.033264	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+CF3COOH"	148.962264
"1372176"	530.058324	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H-2H2O"	-35.012676
"1395146"	548.0683	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H-H2O"	-17.0027
"298458"	1131.149276	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+H"	1.007276
"691145"	1696.220276	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+H"	1.007276
"1366033"	566.078276	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H"	1.007276
"141111"	566.078276	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+2H"	2.014552
"581334"	848.613776	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+2H"	2.014552
"1049224"	283.542776	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2H"	2.014552
"219437"	377.721276	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+3H"	3.021828
"658145"	566.078276	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+3H"	3.021828
"1174813"	189.364276	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+3H"	3.021828
"436991"	1148.175823	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+NH4"	18.033823
"798715"	1713.246823	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+NH4"	18.033823
"1692861"	583.104823	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4"	18.033823
"340410"	574.5915495	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+NH4"	19.041099
"731737"	857.1270495	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+NH4"	19.041099
"1484462"	292.0560495	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H+NH4"	19.041099
"405338"	1153.131218	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+Na"	22.989218
"768884"	1718.202218	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+Na"	22.989218
"1614427"	588.060218	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Na"	22.989218
"325556"	577.069247	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+Na"	23.996494
"711785"	859.604747	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+Na"	23.996494
"1464510"	294.533747	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H+Na"	23.996494
"1055932"	196.69159	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2H+Na"	25.00377
"1264543"	598.104486	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+CH3OH+H"	33.033486
"382024"	1169.105158	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+K"	38.963158
"744115"	1734.176158	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+K"	38.963158
"1547262"	604.034158	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+K"	38.963158
"301155"	585.056217	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+K"	39.970434
"691625"	867.591717	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+K"	39.970434
"1456149"	302.520717	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H+K"	39.970434
"240741"	1172.175826	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+ACN+H"	42.033826
"1214907"	607.104826	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+H"	42.033826
"1205720"	304.056051	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+2H"	43.041102
"193849"	1175.11316	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Na-H"	44.97116
"638151"	1740.18416	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Na-H"	44.97116
"1142750"	610.04216	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2Na-H"	44.97116
"181667"	588.060218	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Na"	45.978436
"619044"	870.595718	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Na"	45.978436
"1124736"	305.524718	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2Na"	45.978436
"1410447"	204.018904	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H+2Na"	46.985712
"1442565"	612.083746	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H+HCOOH"	47.012746
"232259"	593.09324	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+3H2O+2H"	56.04448
"1522142"	626.13579	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+H"	61.06479
"422200"	596.047188	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+Na+K"	61.952376
"781009"	878.582688	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+Na+K"	61.952376
"1674059"	313.511688	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+K"	61.952376
"257661"	1194.157768	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+ACN+Na"	64.015768
"1232556"	629.086768	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+Na"	64.015768
"1717798"	629.110293	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4+HCOOH"	64.039293
"1185340"	211.346218	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+3Na"	68.967654
"1653409"	634.065688	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+HCOOH"	68.994688
"157595"	1207.06104	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+2K-H"	76.91904
"598370"	1772.13204	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+2K-H"	76.91904
"1085672"	641.99004	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2K-H"	76.91904
"142979"	604.034158	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"2M+2K"	77.926316
"585820"	886.569658	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"3M+2K"	77.926316
"1073613"	321.498658	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2K"	77.926316
"1103543"	644.004592	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2K+H"	78.933592
"1339926"	644.092207	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+DMSO+H"	79.021207
"1008458"	648.131376	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2ACN+H"	83.060376
"1527677"	649.125008	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+Na+H"	84.054008
"991939"	324.569326	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+2ACN+2H"	84.067652
"1591912"	650.039628	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+K+HCOOH"	84.968628
"1417571"	680.071138	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+H+CF3COOH"	115.000138
"1147496"	345.082601	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+3ACN+2H"	125.094202
"1700693"	697.097685	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4+CF3COOH"	132.026685
"1644000"	702.05308	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+CF3COOH"	136.98208
"1578557"	718.02702	"C02200"	"UDP-glucosamine;UDP-alpha-D-glucosamine"	"C15H25N3O16P2"	"565.071"	"M+K+CF3COOH"	152.95602
"814758"	166.063	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M"	0
"982457"	147.04461	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"71794"	109.701390666667	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"503373"	165.055724	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"882596"	54.3470573333333	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"3356"	165.055724	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"447293"	248.087224	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"826187"	82.024224	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"87274"	331.118724	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"527927"	497.181724	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"905365"	165.055724	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"55731"	348.145271	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"495293"	514.208271	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"875281"	182.082271	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"40993"	353.100666	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"479464"	519.163666	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"850709"	187.037666	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1628992"	187.037666	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"101146"	183.044063	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"547632"	266.075563	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"938597"	100.012563	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"276425"	367.095402	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"674803"	533.158402	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1279428"	201.032402	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"21256"	369.074606	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"470665"	535.137606	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"847981"	203.011606	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1566489"	203.011606	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"956922"	211.061194	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"374771"	377.124201	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"358289"	391.139851	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1506393"	225.076851	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"970655"	233.043151	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"121022"	201.032402	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"563135"	284.063902	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1023185"	118.000902	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1247503"	244.981885	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1307766"	247.037872	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1329640"	269.019829	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"918511"	279.048586	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1290844"	315.025264	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1371193"	131.050324	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1395984"	149.0603	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"294941"	333.133276	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"688456"	499.196276	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1363710"	167.070276	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H"	1.007276
"140977"	167.070276	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"580538"	250.101776	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1052255"	84.038776	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"219184"	111.715942666667	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"659640"	167.070276	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1178085"	56.3616093333333	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"434915"	350.159823	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"795909"	516.222823	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1692240"	184.096823	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"340520"	175.5835495	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"732940"	258.6150495	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1485666"	92.5520495	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"402161"	355.115218	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"767901"	521.178218	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1614537"	189.052218	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"327854"	178.061247	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"715903"	261.092747	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1469722"	95.029747	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1056770"	63.6889233333333	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1264653"	199.096486	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"383227"	371.089158	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"744225"	537.152158	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1548465"	205.026158	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+K"	38.963158
"300172"	186.048217	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"691438"	269.079717	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1456259"	103.016717	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"238664"	374.159826	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1215017"	208.096826	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1206923"	104.552051	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"193959"	377.09716	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"636438"	543.16016	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1140673"	211.03416	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"179587"	189.052218	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"622433"	272.083718	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1127033"	106.020718	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1412384"	71.0162373333333	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1444376"	213.075746	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"234557"	194.08524	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1522986"	227.12779	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"420121"	197.039188	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"781119"	280.070688	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1678543"	114.007688	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"260688"	396.141768	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1234489"	230.078768	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1717544"	230.102293	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1185450"	78.3435513333333	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1651332"	235.057688	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"158193"	409.04504	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"597752"	575.10804	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1085544"	242.98204	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"142360"	205.026158	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"588117"	288.057658	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1072630"	121.994658	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1105840"	244.996592	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1343318"	245.084207	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1008568"	249.123376	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1524867"	250.117008	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"993142"	125.065326	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1592020"	251.031628	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1417681"	281.063138	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1147606"	145.578601	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1698980"	298.089685	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1644110"	303.04508	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1578667"	319.01902	"C02201"	"Veratraldehyde;Veratric aldehyde;34-Dimethoxybenzaldehyde"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"814139"	400.2263	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M"	0
"989605"	381.20791	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-H2O-H"	-19.01839
"68625"	265.810257333333	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M-3H"	-3.021828
"504902"	399.219024	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M-3H"	-3.021828
"882706"	132.401490666667	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-3H"	-3.021828
"2374"	399.219024	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M-2H"	-2.014552
"448496"	599.332174	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M-2H"	-2.014552
"826297"	199.105874	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-2H"	-2.014552
"89207"	799.445324	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M-H"	-1.007276
"529130"	1199.671624	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M-H"	-1.007276
"906204"	399.219024	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-H"	-1.007276
"55841"	816.471871	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M-2H+NH4"	16.019271
"492123"	1216.698171	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M-2H+NH4"	16.019271
"876486"	416.245571	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-2H+NH4"	16.019271
"42196"	821.427266	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M-2H+Na"	20.974666
"475201"	1221.653566	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M-2H+Na"	20.974666
"850819"	421.200966	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-2H+Na"	20.974666
"1619623"	421.200966	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Na-2H"	20.974666
"97975"	417.207363	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M-H+Cl"	33.962126
"540816"	617.320513	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M-H+Cl"	33.962126
"933237"	217.094213	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-H+Cl"	33.962126
"276898"	835.422002	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+Cl"	34.969402
"669682"	1235.648302	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+Cl"	34.969402
"1278807"	435.195702	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Cl"	34.969402
"21366"	837.401206	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M-2H+K"	36.948606
"464206"	1237.627506	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M-2H+K"	36.948606
"846384"	437.174906	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-2H+K"	36.948606
"1570242"	437.174906	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+K-2H"	36.948606
"957880"	445.224494	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-H+HCOOH"	44.998194
"374883"	845.450801	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+HCOOH-H"	44.998201
"360221"	859.466451	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+Hac-H"	59.013851
"1505045"	459.240151	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Hac-H"	59.013851
"966390"	467.206451	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-H+NaCOOH"	66.980151
"120768"	435.195702	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+2Cl"	69.938804
"562150"	635.308852	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+2Cl"	69.938804
"1025848"	235.082552	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2Cl"	69.938804
"1244333"	479.145185	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Br"	78.918885
"1306779"	481.201172	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Cl+HCOOH"	80.974872
"1325376"	503.183129	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Cl+NaCOOH"	102.956829
"913153"	513.211886	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M-H+CF3COOH"	112.985586
"1290223"	549.188564	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Cl+CF3COOH"	148.962264
"1370209"	365.213624	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H-2H2O"	-35.012676
"1396094"	383.2236	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H-H2O"	-17.0027
"296143"	801.459876	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+H"	1.007276
"685285"	1201.686176	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+H"	1.007276
"1364914"	401.233576	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H"	1.007276
"139990"	401.233576	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+2H"	2.014552
"579187"	601.346726	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+2H"	2.014552
"1052244"	201.120426	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2H"	2.014552
"219060"	267.824809333333	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+3H"	3.021828
"656906"	401.233576	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+3H"	3.021828
"1176126"	134.416042666667	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+3H"	3.021828
"438305"	818.486423	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+NH4"	18.033823
"794926"	1218.712723	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+NH4"	18.033823
"1693443"	418.260123	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+NH4"	18.033823
"340630"	409.7468495	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+H+NH4"	19.041099
"735237"	609.8599995	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+H+NH4"	19.041099
"1485776"	209.6336995	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H+NH4"	19.041099
"407990"	823.441818	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+Na"	22.989218
"766187"	1223.668118	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+Na"	22.989218
"1611366"	423.215518	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Na"	22.989218
"326506"	412.224547	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+H+Na"	23.996494
"720384"	612.337697	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+H+Na"	23.996494
"1470924"	212.111397	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H+Na"	23.996494
"1056517"	141.743356666667	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2H+Na"	25.00377
"1263670"	433.259786	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+CH3OH+H"	33.033486
"383337"	839.415758	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+K"	38.963158
"743242"	1239.642058	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+K"	38.963158
"1548575"	439.189458	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+K"	38.963158
"304659"	420.211517	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+H+K"	39.970434
"692703"	620.324667	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+H+K"	39.970434
"1459529"	220.098367	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H+K"	39.970434
"247158"	842.486426	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+ACN+H"	42.033826
"1222057"	442.260126	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+ACN+H"	42.033826
"1202657"	221.633701	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+ACN+2H"	43.041102
"197715"	845.42376	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+2Na-H"	44.97116
"639463"	1245.65006	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+2Na-H"	44.97116
"1138597"	445.19746	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2Na-H"	44.97116
"182980"	423.215518	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+2Na"	45.978436
"622541"	623.328668	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+2Na"	45.978436
"1126050"	223.102368	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2Na"	45.978436
"1409575"	149.070670666667	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H+2Na"	46.985712
"1443758"	447.239046	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H+HCOOH"	47.012746
"234547"	428.24854	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+3H2O+2H"	56.04448
"1522731"	461.29109	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+IsoProp+H"	61.06479
"421326"	431.202488	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+Na+K"	61.952376
"780134"	631.315638	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+Na+K"	61.952376
"1670633"	231.089338	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Na+K"	61.952376
"258611"	864.468368	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+ACN+Na"	64.015768
"1230589"	464.242068	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+ACN+Na"	64.015768
"1717288"	464.265593	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+NH4+HCOOH"	64.039293
"1183735"	156.397984666667	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+3Na"	68.967654
"1655450"	469.220988	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Na+HCOOH"	68.994688
"157411"	877.37164	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+2K-H"	76.91904
"597251"	1277.59794	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+2K-H"	76.91904
"1088572"	477.14534	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2K-H"	76.91904
"143566"	439.189458	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"2M+2K"	77.926316
"583854"	639.302608	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"3M+2K"	77.926316
"1074927"	239.076308	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2K"	77.926316
"1103763"	479.159892	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2K+H"	78.933592
"1341241"	479.247507	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+DMSO+H"	79.021207
"1008678"	483.286676	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2ACN+H"	83.060376
"1526071"	484.280308	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+IsoProp+Na+H"	84.054008
"992159"	242.146976	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+2ACN+2H"	84.067652
"1592130"	485.194928	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+K+HCOOH"	84.968628
"1419979"	515.226438	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+H+CF3COOH"	115.000138
"1147591"	262.660251	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+3ACN+2H"	125.094202
"1698117"	532.252985	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+NH4+CF3COOH"	132.026685
"1637659"	537.20838	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+Na+CF3COOH"	136.98208
"1578777"	553.18232	"C02202"	"Z-Phe-Phe-CHN2"	"C25H28N4O"	"400.2263"	"M+K+CF3COOH"	152.95602
"812426"	443.2056	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M"	0
"981587"	424.18721	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-H2O-H"	-19.01839
"65455"	294.463124	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M-3H"	-3.021828
"503190"	442.198324	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M-3H"	-3.021828
"882816"	146.727924	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-3H"	-3.021828
"1391"	442.198324	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M-2H"	-2.014552
"448606"	663.801124	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M-2H"	-2.014552
"823127"	220.595524	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-2H"	-2.014552
"87496"	885.403924	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M-H"	-1.007276
"525960"	1328.609524	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M-H"	-1.007276
"907772"	442.198324	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-H"	-1.007276
"58504"	902.430471	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M-2H+NH4"	16.019271
"494419"	1345.636071	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M-2H+NH4"	16.019271
"876959"	459.224871	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-2H+NH4"	16.019271
"45590"	907.385866	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M-2H+Na"	20.974666
"472147"	1350.591466	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M-2H+Na"	20.974666
"853115"	464.180266	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-2H+Na"	20.974666
"1619733"	464.180266	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Na-2H"	20.974666
"95167"	460.186663	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M-H+Cl"	33.962126
"535007"	681.789463	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M-H+Cl"	33.962126
"928000"	238.583863	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-H+Cl"	33.962126
"268501"	921.380602	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+Cl"	34.969402
"663960"	1364.586202	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+Cl"	34.969402
"1274298"	478.175002	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Cl"	34.969402
"21476"	923.359806	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M-2H+K"	36.948606
"465409"	1366.565406	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M-2H+K"	36.948606
"846129"	480.154206	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-2H+K"	36.948606
"1570964"	480.154206	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+K-2H"	36.948606
"957868"	488.203794	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-H+HCOOH"	44.998194
"374261"	931.409401	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+HCOOH-H"	44.998201
"359969"	945.425051	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+Hac-H"	59.013851
"1506614"	502.219451	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Hac-H"	59.013851
"968686"	510.185751	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-H+NaCOOH"	66.980151
"121606"	478.175002	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+2Cl"	69.938804
"563353"	699.777802	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+2Cl"	69.938804
"1028144"	256.572202	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2Cl"	69.938804
"1247724"	522.124485	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Br"	78.918885
"1308712"	524.180472	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Cl+HCOOH"	80.974872
"1324392"	546.162429	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Cl+NaCOOH"	102.956829
"917636"	556.191186	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M-H+CF3COOH"	112.985586
"1291427"	592.167864	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Cl+CF3COOH"	148.962264
"1370318"	408.192924	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H-2H2O"	-35.012676
"1397664"	426.2029	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H-H2O"	-17.0027
"297346"	887.418476	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+H"	1.007276
"686489"	1330.624076	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+H"	1.007276
"1366117"	444.212876	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H"	1.007276
"140099"	444.212876	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+2H"	2.014552
"578566"	665.815676	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+2H"	2.014552
"1052602"	222.610076	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2H"	2.014552
"219942"	296.477676	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+3H"	3.021828
"654829"	444.212876	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+3H"	3.021828
"1176236"	148.742476	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+3H"	3.021828
"436227"	904.445023	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+NH4"	18.033823
"797952"	1347.650623	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+NH4"	18.033823
"1696350"	461.239423	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+NH4"	18.033823
"341470"	452.7261495	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+H+NH4"	19.041099
"736442"	674.3289495	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+H+NH4"	19.041099
"1486981"	231.1233495	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H+NH4"	19.041099
"406758"	909.400418	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+Na"	22.989218
"767754"	1352.606018	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+Na"	22.989218
"1613663"	466.194818	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Na"	22.989218
"322606"	455.203847	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+H+Na"	23.996494
"715027"	676.806647	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+H+Na"	23.996494
"1467754"	233.601047	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H+Na"	23.996494
"1053710"	156.06979	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2H+Na"	25.00377
"1262685"	476.239086	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+CH3OH+H"	33.033486
"381259"	925.374358	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+K"	38.963158
"743352"	1368.579958	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+K"	38.963158
"1544312"	482.168758	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+K"	38.963158
"299664"	463.190817	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+H+K"	39.970434
"694271"	684.793617	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+H+K"	39.970434
"1455386"	241.588017	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H+K"	39.970434
"247268"	928.445026	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+ACN+H"	42.033826
"1221074"	485.239426	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+ACN+H"	42.033826
"1201674"	243.123351	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+ACN+2H"	43.041102
"196733"	931.38236	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+2Na-H"	44.97116
"635201"	1374.58796	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+2Na-H"	44.97116
"1141624"	488.17676	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2Na-H"	44.97116
"181997"	466.194818	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+2Na"	45.978436
"619373"	687.797618	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+2Na"	45.978436
"1126160"	244.592018	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2Na"	45.978436
"1410778"	163.397104	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H+2Na"	46.985712
"1442895"	490.218346	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H+HCOOH"	47.012746
"231496"	471.22784	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+3H2O+2H"	56.04448
"1518466"	504.27039	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+IsoProp+H"	61.06479
"420343"	474.181788	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+Na+K"	61.952376
"776234"	695.784588	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+Na+K"	61.952376
"1671836"	252.578988	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Na+K"	61.952376
"259086"	950.426968	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+ACN+Na"	64.015768
"1230699"	507.221368	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+ACN+Na"	64.015768
"1718491"	507.244893	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+NH4+HCOOH"	64.039293
"1182387"	170.724418	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+3Na"	68.967654
"1654465"	512.200288	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Na+HCOOH"	68.994688
"163515"	963.33024	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+2K-H"	76.91904
"597214"	1406.53584	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+2K-H"	76.91904
"1088682"	520.12464	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2K-H"	76.91904
"141525"	482.168758	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"2M+2K"	77.926316
"582501"	703.771558	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"3M+2K"	77.926316
"1072850"	260.565958	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2K"	77.926316
"1103873"	522.139192	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2K+H"	78.933592
"1338071"	522.226807	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+DMSO+H"	79.021207
"1006964"	526.265976	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2ACN+H"	83.060376
"1524721"	527.259608	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+IsoProp+Na+H"	84.054008
"990441"	263.636626	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+2ACN+2H"	84.067652
"1588960"	528.174228	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+K+HCOOH"	84.968628
"1417901"	558.205738	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+H+CF3COOH"	115.000138
"1147100"	284.149901	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+3ACN+2H"	125.094202
"1697254"	575.232285	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+NH4+CF3COOH"	132.026685
"1637769"	580.18768	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+Na+CF3COOH"	136.98208
"1578887"	596.16162	"C02203"	"Z-Tyr-Leu-NHOH;Benzyloxycarbonyl-Tyr-Leu-NHOH;Cbz-Tyr-Leu-NHOH"	"C23H29N3O6"	"443.2056"	"M+K+CF3COOH"	152.95602
"814723"	150.0528	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M"	0
"981697"	131.03441	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"69938"	99.027924	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507311"	149.045524	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"890581"	49.010324	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"4781"	149.045524	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"451996"	224.071924	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"826517"	74.019124	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"87606"	299.098324	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"530444"	449.151124	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"906060"	149.045524	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"58250"	316.124871	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"495623"	466.177671	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"874518"	166.072071	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"44607"	321.080266	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"474328"	471.133066	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"851039"	171.027466	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1619234"	171.027466	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"95153"	167.033863	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"534872"	242.060263	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"927980"	92.007463	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"269097"	335.075002	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"663706"	485.127802	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1274405"	185.022202	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"21586"	337.054206	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"466249"	487.107006	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"846239"	187.001406	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1566446"	187.001406	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"957978"	195.050994	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"373277"	345.103801	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"358254"	359.119451	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1504175"	209.066651	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"970254"	217.032951	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"119894"	185.022202	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"560548"	260.048602	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1026069"	109.995802	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1246740"	228.971685	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1308096"	231.027672	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1323408"	253.009629	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"914466"	263.038386	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1290443"	299.015064	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1371521"	115.040124	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1397044"	133.0501	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"297456"	301.112876	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"688786"	451.165676	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1364040"	151.060076	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"140817"	151.060076	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"580863"	226.086476	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1052342"	76.033676	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"219028"	101.042476	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"658950"	151.060076	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1173066"	51.024876	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"436337"	318.139423	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"798791"	468.192223	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1694395"	168.086623	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"341216"	159.5733495	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"732177"	234.5997495	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1485997"	84.5469495	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"405776"	323.094818	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"765678"	473.147618	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1611587"	173.042018	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"323810"	162.051047	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"717324"	237.077447	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1466771"	87.024647	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1053088"	58.35219	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1262794"	183.086286	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"378815"	339.068758	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"742367"	489.121558	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1545513"	189.015958	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"301231"	170.038017	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"697296"	245.064417	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1452215"	95.011617	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"243004"	342.139426	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1218995"	192.086626	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1202877"	96.546951	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"195751"	345.07676	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"636404"	495.12956	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1141734"	195.02396	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"181014"	173.042018	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"621670"	248.068418	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1126271"	98.015618	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1412956"	65.679504	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1444709"	197.065546	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"233551"	178.07504	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1520764"	211.11759	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"417174"	181.028988	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"778168"	256.055388	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1672310"	106.002588	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259925"	364.121368	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1230081"	214.068568	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1717873"	214.092093	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1190152"	73.006818	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1660045"	219.047488	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"166906"	377.02464	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"601365"	527.07744	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1089157"	226.97184	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"142448"	189.015958	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"584075"	264.042358	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1072960"	113.989558	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1102890"	228.986392	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1338182"	229.074007	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1011086"	233.113176	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1525075"	234.106808	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"991038"	117.060226	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1588089"	235.021428	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1416916"	265.052938	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1149393"	137.573501	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1702227"	282.079485	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1644440"	287.03488	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1576810"	303.00882	"C02204"	"alpha-D-Lyxose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"816535"	150.0528	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M"	0
"986178"	131.03441	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"70048"	99.027924	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"508514"	149.045524	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"890691"	49.010324	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"7078"	149.045524	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"453929"	224.071924	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"828814"	74.019124	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"91726"	299.098324	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"530554"	449.151124	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"909449"	149.045524	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"58360"	316.124871	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"496827"	466.177671	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"877543"	166.072071	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"46257"	321.080266	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"473466"	471.133066	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"850056"	171.027466	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1618812"	171.027466	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"95874"	167.033863	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"534820"	242.060263	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"927486"	92.007463	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"267625"	335.075002	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"662723"	485.127802	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1274027"	185.022202	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"18047"	337.054206	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"466723"	487.107006	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"846714"	187.001406	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1564733"	187.001406	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"956995"	195.050994	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"374845"	345.103801	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"358728"	359.119451	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1502464"	209.066651	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"969999"	217.032951	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"121098"	185.022202	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"562115"	260.048602	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1032741"	109.995802	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1250131"	228.971685	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1313673"	231.027672	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1323518"	253.009629	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"912389"	263.038386	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1290187"	299.015064	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1371631"	115.040124	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1395695"	133.0501	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"297567"	301.112876	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"689989"	451.165676	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1365973"	151.060076	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"141285"	151.060076	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"581100"	226.086476	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1052537"	76.033676	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"219137"	101.042476	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"659628"	151.060076	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1173176"	51.024876	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"436447"	318.139423	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"797442"	468.192223	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1696327"	168.086623	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"344974"	159.5733495	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"737756"	234.5997495	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1490481"	84.5469495	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"404793"	323.094818	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"767249"	473.147618	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1611697"	173.042018	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"327201"	162.051047	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"718529"	237.077447	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1472350"	87.024647	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1055751"	58.35219	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1258040"	183.086286	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"377832"	339.068758	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"742477"	489.121558	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1545623"	189.015958	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"301341"	170.038017	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"697406"	245.064417	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1453419"	95.011617	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"240926"	342.139426	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1212543"	192.086626	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1195695"	96.546951	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"198046"	345.07676	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"636512"	495.12956	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1136737"	195.02396	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"181122"	173.042018	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"620685"	248.068418	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1126380"	98.015618	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1406623"	65.679504	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1442020"	197.065546	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"228436"	178.07504	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1516499"	211.11759	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"419471"	181.028988	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"780465"	256.055388	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1674608"	106.002588	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"258942"	364.121368	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1230191"	214.068568	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1720899"	214.092093	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1183701"	73.006818	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1660154"	219.047488	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"160455"	377.02464	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"601475"	527.07744	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1087080"	226.97184	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"142069"	189.015958	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"589652"	264.042358	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1070275"	113.989558	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1105187"	228.986392	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1338292"	229.074007	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1010103"	233.113176	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1526039"	234.106808	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"991757"	117.060226	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1588203"	235.021428	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1417027"	265.052938	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1147558"	137.573501	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1702337"	282.079485	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1644550"	287.03488	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1579107"	303.00882	"C02205"	"alpha-D-Xylose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"813850"	246.1256	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M"	0
"989085"	227.10721	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"72345"	163.076457333333	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"513000"	245.118324	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"890802"	81.0345906666667	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"10469"	245.118324	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"453678"	368.181124	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"828924"	122.055524	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"90742"	491.243924	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"528477"	737.369524	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"907372"	245.118324	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"56282"	508.270471	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"494749"	754.396071	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"874736"	262.144871	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"45188"	513.225866	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"474549"	759.351466	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"851260"	267.100266	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1619700"	267.100266	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"94565"	263.106663	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"534323"	386.169463	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"927192"	140.043863	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"267367"	527.220602	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"661374"	773.346202	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1272919"	281.095002	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"16040"	529.199806	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"465739"	775.325406	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"839169"	283.074206	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1561563"	283.074206	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"953821"	291.123794	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"370944"	537.249401	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"359931"	551.265051	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1506944"	305.139451	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"966829"	313.105751	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"121205"	281.095002	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"560767"	404.157802	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1033212"	158.032202	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1249147"	325.044485	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1317062"	327.100472	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1329096"	349.082429	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"914686"	359.111186	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1292488"	395.087864	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1371741"	211.112924	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1387054"	229.1229	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"291113"	493.258476	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"687909"	739.384076	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1363162"	247.132876	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"137146"	247.132876	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"578530"	370.195676	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1051706"	124.070076	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"218512"	165.091009333333	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"659933"	247.132876	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1172192"	83.0491426666667	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"435464"	510.285023	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"796459"	756.410623	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1696808"	264.159423	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"345638"	255.6461495	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"732397"	378.7089495	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1489498"	132.5833495	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"406728"	515.240418	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"764807"	761.366018	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1609619"	269.114818	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"320750"	258.123847	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"717545"	381.186647	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1466993"	135.061047	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1055495"	90.3764566666667	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1258636"	279.159086	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"379400"	531.214358	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"739667"	777.339958	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1545733"	285.088758	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"301817"	266.110817	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"695694"	389.173617	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1453529"	143.048017	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"241036"	534.285026	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1212653"	288.159426	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1194955"	144.583351	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"189766"	537.22236	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"632248"	783.34796	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1141222"	291.09676	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"181232"	269.114818	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"622617"	392.177618	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1125396"	146.052018	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1407097"	97.7037706666667	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1441037"	293.138346	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"230733"	274.14784	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1519890"	307.19039	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"421768"	277.101788	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"778388"	400.164588	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1673625"	154.038988	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"257958"	556.266968	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1231760"	310.141368	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1726112"	310.164893	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1189280"	105.031084666667	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1662452"	315.120288	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"169313"	569.17024	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"606689"	815.29584	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1089014"	323.04464	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"142102"	285.088758	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"587577"	408.151558	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1076463"	162.025958	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1109672"	325.059192	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1338404"	325.146807	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1014587"	329.185976	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1525421"	330.179608	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"992600"	165.096626	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1592570"	331.094228	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1415195"	361.125738	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1147547"	185.609901	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1701354"	378.152285	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1644660"	383.10768	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1579217"	399.08162	"C02206"	"alpha-Santonin"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"812866"	161.0688	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M"	0
"986397"	142.05041	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"72455"	106.371924	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"514202"	160.061524	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"892006"	52.682324	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"13859"	160.061524	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"452328"	240.595924	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"825754"	79.527124	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"89759"	321.130324	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"528587"	482.199124	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"904203"	160.061524	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"56392"	338.156871	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"493766"	499.225671	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"876668"	177.088071	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"42747"	343.112266	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"473566"	504.181066	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"851370"	182.043466	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1621997"	182.043466	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"95000"	178.049863	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"534432"	258.584263	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"927950"	97.515463	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"268574"	357.107002	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"662577"	518.175802	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1273764"	196.038202	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"15906"	359.086206	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"456975"	520.155006	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"834899"	198.017406	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1562766"	198.017406	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"952838"	206.066994	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"368868"	367.135801	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"357126"	381.151451	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1504867"	220.082651	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"966939"	228.048951	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"121681"	196.038202	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"559784"	276.572602	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1032958"	115.503802	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1250351"	239.987685	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1316079"	242.043672	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1329206"	264.025629	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"913702"	274.054386	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1292598"	310.031064	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1371851"	126.056124	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1387164"	144.0661	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"287943"	323.144876	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"686926"	484.213676	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1359992"	162.076076	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"137256"	162.076076	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"576454"	242.610476	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1052303"	81.541676	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"219907"	108.386476	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"658185"	162.076076	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1174490"	54.696876	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"435210"	340.171423	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"796569"	501.240223	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1695453"	179.102623	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"344828"	170.5893495	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"732507"	251.1237495	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1490701"	90.0549495	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"403923"	345.126818	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"764916"	506.195618	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1606450"	184.058018	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"318674"	173.067047	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"713283"	253.601447	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1464917"	92.532647	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1053176"	62.02419	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1257527"	194.102286	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"378418"	361.100758	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"740873"	522.169558	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1542565"	200.031958	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"301196"	181.054017	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"692889"	261.588417	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1451452"	100.519617	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"238230"	364.171426	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1212763"	203.102626	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1194580"	102.054951	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"189877"	367.10876	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"631629"	528.17756	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1135864"	206.03996	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"181342"	184.058018	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"623091"	264.592418	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1126600"	103.523618	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1407936"	69.351504	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1442240"	208.081546	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"228656"	189.09104	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1522187"	222.13359	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"420784"	192.044988	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"779592"	272.579388	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1672642"	111.510588	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"258068"	386.153368	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1227130"	225.084568	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1714923"	225.108093	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1181005"	76.678818	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1659279"	230.063488	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"163954"	399.05664	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"601693"	560.12544	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1086205"	237.98784	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"141928"	200.031958	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"582578"	280.566358	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1069158"	119.497558	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1103222"	240.002392	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1335837"	240.090007	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1009229"	244.129176	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1526263"	245.122808	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"991617"	122.568226	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1591587"	246.037428	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1417250"	276.068938	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1147152"	143.081501	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1700735"	293.095485	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1644770"	298.05088	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1579327"	314.02482	"C02207"	"beta-Alanopine;N-(D-1-Carboxyethyl)-beta-alanine"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"815163"	180.0634	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M"	0
"986507"	161.04501	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"73658"	119.034990666667	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"514312"	179.056124	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"893209"	59.0138573333333	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"12876"	179.056124	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"453167"	269.087824	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"825864"	89.024424	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"90233"	359.119524	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"528697"	539.182924	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"906498"	179.056124	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"56502"	376.146071	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"497156"	556.209471	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"874955"	196.082671	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"41763"	381.101466	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"473676"	561.164866	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"852573"	201.038066	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1622106"	201.038066	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"95718"	197.044463	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"534544"	287.076163	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"927454"	107.012763	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"267586"	395.096202	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"661958"	575.159602	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1274361"	215.032802	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"15899"	397.075406	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"457935"	577.138806	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"840843"	217.012006	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1557038"	217.012006	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"949668"	225.061594	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"366790"	405.125001	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"352860"	419.140651	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1498415"	239.077251	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"963769"	247.043551	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"118145"	215.032802	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"558799"	305.064502	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1031974"	125.001102	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1251190"	258.982285	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1314003"	261.038272	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1329316"	283.020229	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"914906"	293.048986	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1292708"	329.025664	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1370138"	145.050724	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1387274"	163.0607	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"291333"	361.134076	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"689222"	541.197476	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1363382"	181.070676	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"141207"	181.070676	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"581227"	271.102376	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1052420"	91.038976	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"219788"	121.049542666667	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"659306"	181.070676	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1178122"	61.0284093333333	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"438598"	378.160623	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"797772"	558.224023	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1695197"	198.097223	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"345182"	189.5839495	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"734803"	279.6156495	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1488624"	99.5522495	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"405855"	383.116018	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"767211"	563.179418	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1609842"	203.052618	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"318786"	192.061647	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"709384"	282.093347	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1466120"	102.029947	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1054136"	68.3557233333333	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1258122"	213.096886	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"381079"	399.089958	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"740253"	579.153358	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1541335"	219.026558	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"299726"	200.048617	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"692148"	290.080317	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1452656"	110.016917	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"240164"	402.160626	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1211780"	222.097226	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1195297"	111.552251	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"189135"	405.09796	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"632103"	585.16136	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1132326"	225.03456	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"177079"	203.052618	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"622110"	293.084318	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1125616"	113.020918	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1409139"	75.6830373333333	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1442350"	227.076146	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"228766"	208.08564	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520113"	241.12819	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415429"	211.039588	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"778609"	301.071288	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1668013"	121.007888	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"254533"	424.142568	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1226387"	244.079168	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1717584"	244.102693	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1189862"	83.0103513333333	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1659389"	249.058088	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"164064"	437.04584	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"599614"	617.10924	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1085949"	256.98244	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"147140"	219.026558	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"583784"	309.058258	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1075587"	128.994858	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1106609"	258.996992	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1336919"	259.084607	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1006422"	263.123776	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1525644"	264.117408	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"990631"	132.065526	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1591697"	265.032028	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1418454"	295.063538	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1147403"	152.578801	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1700481"	312.090085	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1641600"	317.04548	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1579437"	333.01942	"C02209"	"beta-D-Mannose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"814183"	152.1201	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M"	0
"986621"	133.10171	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"75957"	100.406124	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"514424"	151.112824	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"894413"	49.699424	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"14810"	151.112824	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"443805"	227.172874	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"828165"	75.052774	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"89250"	303.232924	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"519696"	455.353024	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"901146"	151.112824	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"52241"	320.259471	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"489246"	472.379571	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"866076"	168.139371	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"34226"	325.214866	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"479255"	477.334966	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"857056"	173.094766	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1626590"	173.094766	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"99838"	169.101163	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"537210"	245.161213	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"929266"	93.041113	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"268183"	339.209602	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"661580"	491.329702	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1274471"	187.089502	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"18850"	341.188806	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"458411"	493.308906	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"842784"	189.068706	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1562989"	189.068706	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"946496"	197.118294	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"366899"	349.238401	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"354068"	363.254051	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1505088"	211.133951	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"968255"	219.100251	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"113885"	187.089502	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"554539"	263.149552	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1028806"	111.029452	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1248388"	231.038985	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1309743"	233.094972	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1327239"	255.076929	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"920485"	265.105686	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1299384"	301.082364	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1378638"	117.107424	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1393945"	135.1174	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"294725"	305.247476	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"688239"	457.367576	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1366858"	153.127376	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"139304"	153.127376	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"579227"	229.187426	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1052282"	77.067326	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"218847"	102.420676	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"658408"	153.127376	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1177262"	51.713976	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"437252"	322.274023	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"798982"	474.394123	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1693489"	170.153923	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"344321"	161.6406495	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"736380"	237.7006995	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1485463"	85.5805995	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"396484"	327.229418	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"760761"	479.349518	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1612138"	175.109318	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"318897"	164.118347	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"710224"	240.178397	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1465138"	88.058297	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1055835"	59.04129	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1260067"	185.153586	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"380097"	343.203358	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"740364"	495.323458	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1541691"	191.083258	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"302148"	172.105317	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"700041"	248.165367	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1456047"	96.045267	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"242462"	346.274026	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1219547"	194.153926	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1197961"	97.580601	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"196300"	349.21136	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"638050"	501.33146	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1141556"	197.09126	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"184847"	175.109318	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"623313"	251.169368	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1125727"	99.049268	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1407063"	66.368604	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1440275"	199.132846	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"227789"	180.14234	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1514759"	213.18489	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"415537"	183.096288	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"773250"	259.156338	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1669217"	107.036238	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"255005"	368.255968	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1228079"	216.135868	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1713802"	216.159393	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1178992"	73.695918	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1651118"	221.114788	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"158097"	381.15924	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"600452"	533.27934	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1086060"	229.03914	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"143967"	191.083258	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"582799"	267.143308	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1070588"	115.023208	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1101128"	231.053692	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1335850"	231.141307	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1007265"	235.180476	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1524313"	236.174108	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"990865"	118.093876	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1593999"	237.088728	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1419659"	267.120238	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1159789"	138.607151	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1700592"	284.146785	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1641710"	289.10218	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1576267"	305.07612	"C02213"	"()-cis-Sabinol;Sabinol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"813200"	130.0266	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M"	0
"989487"	111.00821	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-H2O-H"	-19.01839
"69506"	85.677124	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M-3H"	-3.021828
"514534"	129.019324	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M-3H"	-3.021828
"894767"	42.334924	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-3H"	-3.021828
"15407"	129.019324	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M-2H"	-2.014552
"446101"	194.032624	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M-2H"	-2.014552
"829368"	64.006024	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-2H"	-2.014552
"88267"	259.045924	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M-H"	-1.007276
"523454"	389.072524	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M-H"	-1.007276
"900163"	129.019324	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-H"	-1.007276
"53444"	276.072471	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M-2H+NH4"	16.019271
"488630"	406.099071	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M-2H+NH4"	16.019271
"865214"	146.045871	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-2H+NH4"	16.019271
"34336"	281.027866	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M-2H+Na"	20.974666
"479366"	411.054466	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M-2H+Na"	20.974666
"857166"	151.001266	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-2H+Na"	20.974666
"1626700"	151.001266	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Na-2H"	20.974666
"101041"	147.007663	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M-H+Cl"	33.962126
"538414"	212.020963	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M-H+Cl"	33.962126
"929013"	81.994363	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-H+Cl"	33.962126
"268539"	295.022602	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+Cl"	34.969402
"661324"	425.049202	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+Cl"	34.969402
"1273850"	164.996002	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Cl"	34.969402
"19689"	297.001806	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M-2H+K"	36.948606
"462898"	427.028406	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M-2H+K"	36.948606
"842894"	166.975206	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-2H+K"	36.948606
"1563099"	166.975206	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+K-2H"	36.948606
"947701"	175.024794	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-H+HCOOH"	44.998194
"369197"	305.051401	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+HCOOH-H"	44.998201
"353085"	319.067051	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+Hac-H"	59.013851
"1505198"	189.040451	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Hac-H"	59.013851
"967272"	197.006751	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-H+NaCOOH"	66.980151
"118369"	164.996002	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+2Cl"	69.938804
"557929"	230.009302	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+2Cl"	69.938804
"1025636"	99.982702	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2Cl"	69.938804
"1251780"	208.945485	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Br"	78.918885
"1315322"	211.001472	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Cl+HCOOH"	80.974872
"1332818"	232.983429	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Cl+NaCOOH"	102.956829
"920595"	243.012186	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M-H+CF3COOH"	112.985586
"1301681"	278.988864	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Cl+CF3COOH"	148.962264
"1380572"	95.013924	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H-2H2O"	-35.012676
"1396971"	113.0239	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H-H2O"	-17.0027
"295929"	261.060476	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+H"	1.007276
"687256"	391.087076	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+H"	1.007276
"1365793"	131.033876	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H"	1.007276
"140387"	131.033876	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+2H"	2.014552
"580067"	196.047176	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+2H"	2.014552
"1051784"	66.020576	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2H"	2.014552
"219199"	87.691676	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+3H"	3.021828
"657784"	131.033876	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+3H"	3.021828
"1177252"	44.349476	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+3H"	3.021828
"437728"	278.087023	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+NH4"	18.033823
"801202"	408.113623	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+NH4"	18.033823
"1693599"	148.060423	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+NH4"	18.033823
"345282"	139.5471495	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+H+NH4"	19.041099
"738190"	204.5604495	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+H+NH4"	19.041099
"1489947"	74.5338495	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H+NH4"	19.041099
"398781"	283.042418	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+Na"	22.989218
"760871"	413.069018	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+Na"	22.989218
"1612248"	153.015818	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Na"	22.989218
"322287"	142.024847	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+H+Na"	23.996494
"709242"	207.038147	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+H+Na"	23.996494
"1464155"	77.011547	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H+Na"	23.996494
"1056309"	51.67679	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2H+Na"	25.00377
"1259083"	163.060086	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+CH3OH+H"	33.033486
"379478"	299.016358	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+K"	38.963158
"739984"	429.042958	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+K"	38.963158
"1542164"	168.989758	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+K"	38.963158
"299705"	150.011817	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+H+K"	39.970434
"697962"	215.025117	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+H+K"	39.970434
"1455064"	84.998517	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H+K"	39.970434
"242572"	302.087026	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+ACN+H"	42.033826
"1220749"	172.060426	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+ACN+H"	42.033826
"1199164"	86.533851	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+ACN+2H"	43.041102
"194222"	305.02436	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+2Na-H"	44.97116
"641440"	435.05096	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+2Na-H"	44.97116
"1144945"	174.99776	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2Na-H"	44.97116
"186779"	153.015818	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+2Na"	45.978436
"622329"	218.029118	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+2Na"	45.978436
"1125837"	88.002518	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2Na"	45.978436
"1408266"	59.004104	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H+2Na"	46.985712
"1438198"	177.039346	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H+HCOOH"	47.012746
"230085"	158.04884	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+3H2O+2H"	56.04448
"1518149"	191.09139	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+H"	61.06479
"416740"	161.002788	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+Na+K"	61.952376
"778828"	226.016088	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+Na+K"	61.952376
"1673337"	95.989488	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Na+K"	61.952376
"258396"	324.068968	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+ACN+Na"	64.015768
"1229282"	194.042368	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+ACN+Na"	64.015768
"1714885"	194.065893	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+NH4+HCOOH"	64.039293
"1178656"	66.331418	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+3Na"	68.967654
"1652320"	199.021288	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Na+HCOOH"	68.994688
"159301"	336.97224	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+2K-H"	76.91904
"601291"	466.99884	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+2K-H"	76.91904
"1086899"	206.94564	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2K-H"	76.91904
"143716"	168.989758	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"2M+2K"	77.926316
"583275"	234.003058	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"3M+2K"	77.926316
"1069486"	103.976458	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2K"	77.926316
"1100873"	208.960192	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2K+H"	78.933592
"1336775"	209.047807	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+DMSO+H"	79.021207
"1007375"	213.086976	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2ACN+H"	83.060376
"1524239"	214.080608	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+Na+H"	84.054008
"990488"	107.047126	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+2ACN+2H"	84.067652
"1587667"	214.995228	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+K+HCOOH"	84.968628
"1419769"	245.026738	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+H+CF3COOH"	115.000138
"1159899"	127.560401	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+3ACN+2H"	125.094202
"1701066"	262.053285	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+NH4+CF3COOH"	132.026685
"1641820"	267.00868	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+Na+CF3COOH"	136.98208
"1576377"	282.98262	"C02214"	"(E)-Glutaconate;trans-Glutaconate;trans-Glutaconic acid;Glutaconic acid"	"C5H6O4"	"130.0266"	"M+K+CF3COOH"	152.95602
"815494"	149.0701	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M"	0
"989028"	130.05171	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-H2O-H"	-19.01839
"72896"	98.3727906666667	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M-3H"	-3.021828
"517682"	148.062824	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M-3H"	-3.021828
"893541"	48.6827573333333	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-3H"	-3.021828
"13210"	148.062824	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H"	-2.014552
"447304"	222.597874	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H"	-2.014552
"826200"	73.527774	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H"	-2.014552
"84003"	297.132924	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H"	-1.007276
"520647"	446.203024	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H"	-1.007276
"896505"	148.062824	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-H"	-1.007276
"50274"	314.159471	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+NH4"	16.019271
"494209"	463.229571	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+NH4"	16.019271
"864594"	165.089371	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+NH4"	16.019271
"37726"	319.114866	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+Na"	20.974666
"478382"	468.184966	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+Na"	20.974666
"853994"	170.044766	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+Na"	20.974666
"1623529"	170.044766	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na-2H"	20.974666
"103338"	166.051163	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H+Cl"	33.962126
"535972"	240.586213	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H+Cl"	33.962126
"933497"	91.516113	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+Cl"	33.962126
"270960"	333.109602	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Cl"	34.969402
"662287"	482.179702	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Cl"	34.969402
"1276149"	184.039502	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl"	34.969402
"18706"	335.088806	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+K"	36.948606
"457901"	484.158906	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+K"	36.948606
"848111"	186.018706	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+K"	36.948606
"1569773"	186.018706	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+K-2H"	36.948606
"953282"	194.068294	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+HCOOH"	44.998194
"369311"	343.138401	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+HCOOH-H"	44.998201
"352102"	357.154051	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Hac-H"	59.013851
"1506404"	208.083951	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Hac-H"	59.013851
"973095"	216.050251	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+NaCOOH"	66.980151
"119575"	184.039502	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Cl"	69.938804
"556947"	258.574552	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Cl"	69.938804
"1026840"	109.504452	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Cl"	69.938804
"1247515"	227.988985	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Br"	78.918885
"1307777"	230.044972	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+HCOOH"	80.974872
"1325272"	252.026929	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+NaCOOH"	102.956829
"917788"	262.055686	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+CF3COOH"	112.985586
"1301790"	298.032364	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+CF3COOH"	148.962264
"1381533"	114.057424	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-2H2O"	-35.012676
"1394165"	132.0674	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-H2O"	-17.0027
"294946"	299.147476	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H"	1.007276
"689553"	448.217576	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H"	1.007276
"1363715"	150.077376	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H"	1.007276
"140743"	150.077376	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2H"	2.014552
"580059"	224.612426	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2H"	2.014552
"1051531"	75.542326	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H"	2.014552
"219069"	100.387342666667	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H"	3.021828
"659599"	150.077376	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+3H"	3.021828
"1177359"	50.6973093333333	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+3H"	3.021828
"439176"	316.174023	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+NH4"	18.033823
"799204"	465.244123	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+NH4"	18.033823
"1694443"	167.103923	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4"	18.033823
"345030"	158.5906495	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+NH4"	19.041099
"738021"	233.1256995	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+NH4"	19.041099
"1488963"	84.0555995	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+NH4"	19.041099
"396706"	321.129418	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na"	22.989218
"762074"	470.199518	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na"	22.989218
"1615639"	172.059318	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na"	22.989218
"319117"	161.068347	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+Na"	23.996494
"709352"	235.603397	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+Na"	23.996494
"1464266"	86.533297	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+Na"	23.996494
"1053866"	58.0246233333333	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H+Na"	25.00377
"1258828"	182.103586	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+CH3OH+H"	33.033486
"378495"	337.103358	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+K"	38.963158
"738543"	486.173458	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+K"	38.963158
"1540571"	188.033258	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+K"	38.963158
"300179"	169.055317	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+K"	39.970434
"701351"	243.590367	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+K"	39.970434
"1452986"	94.520267	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+K"	39.970434
"242682"	340.174026	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+H"	42.033826
"1214298"	191.103926	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+H"	42.033826
"1198180"	96.055601	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+2H"	43.041102
"195425"	343.11136	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na-H"	44.97116
"636081"	492.18146	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na-H"	44.97116
"1136307"	194.04126	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na-H"	44.97116
"187252"	172.059318	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na"	45.978436
"625718"	246.594368	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na"	45.978436
"1125946"	97.524268	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na"	45.978436
"1409469"	65.3519373333333	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+2Na"	46.985712
"1441587"	196.082846	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+HCOOH"	47.012746
"229103"	177.09234	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H2O+2H"	56.04448
"1520444"	210.13489	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+H"	61.06479
"417945"	180.046288	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na+K"	61.952376
"781854"	254.581338	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na+K"	61.952376
"1675269"	105.511238	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+K"	61.952376
"260693"	362.155968	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+Na"	64.015768
"1230121"	213.085868	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+Na"	64.015768
"1713415"	213.109393	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+HCOOH"	64.039293
"1179256"	72.6792513333333	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+3Na"	68.967654
"1650360"	218.064788	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+HCOOH"	68.994688
"158926"	375.05924	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K-H"	76.91904
"599944"	524.12934	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K-H"	76.91904
"1086036"	225.98914	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K-H"	76.91904
"142488"	188.033258	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K"	77.926316
"582171"	262.568308	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K"	77.926316
"1073733"	113.498208	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K"	77.926316
"1101598"	228.003692	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K+H"	78.933592
"1335670"	228.091307	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+DMSO+H"	79.021207
"1006389"	232.130476	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+H"	83.060376
"1524878"	233.124108	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+Na+H"	84.054008
"991329"	116.568876	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+2H"	84.067652
"1589843"	234.038728	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+HCOOH"	84.968628
"1419879"	264.070238	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+CF3COOH"	115.000138
"1153447"	137.082151	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+3ACN+2H"	125.094202
"1697894"	281.096785	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+CF3COOH"	132.026685
"1641930"	286.05218	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+CF3COOH"	136.98208
"1576487"	302.02612	"C02216"	"1-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+CF3COOH"	152.95602
"814513"	186.1256	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M"	0
"988774"	167.10721	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"74103"	123.076457333333	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"513663"	185.118324	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"892558"	61.0345906666667	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"13321"	185.118324	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"449602"	278.181124	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"826309"	92.055524	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"84114"	371.243924	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"524767"	557.369524	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"897467"	185.118324	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"52571"	388.270471	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"490309"	574.396071	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"867747"	202.144871	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"37836"	393.225866	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"481775"	579.351466	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"851920"	207.100266	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1625827"	207.100266	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"102356"	203.106663	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"538634"	296.169463	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"932150"	110.043863	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"270341"	407.220602	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"665680"	593.346202	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1274072"	221.095002	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"22463"	409.199806	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"463118"	595.325406	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"846397"	223.074206	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1566602"	223.074206	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"949018"	231.123794	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"373796"	417.249401	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"354399"	431.265051	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1504326"	245.139451	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"969680"	253.105751	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"115310"	221.095002	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"558150"	314.157802	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1023671"	128.032202	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1248720"	265.044485	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1307886"	267.100472	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1321008"	289.082429	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"914252"	299.111186	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1301900"	335.087864	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1381155"	151.112924	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1390995"	169.1229	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"293962"	373.258476	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"687475"	559.384076	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1361638"	187.132876	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"140971"	187.132876	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"580168"	280.195676	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1051881"	94.070076	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"217351"	125.091009333333	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"658492"	187.132876	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1176988"	63.0491426666667	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"438315"	390.285023	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"799920"	576.410623	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1693458"	204.159423	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"344535"	195.6461495	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"735982"	288.7089495	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1489074"	102.5833495	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"400096"	395.240418	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"764372"	581.366018	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1616114"	209.114818	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"319227"	198.123847	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"710556"	291.186647	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1464377"	105.061047	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1053490"	70.3764566666667	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1257966"	219.159086	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"377553"	411.214358	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"738745"	597.339958	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1544209"	225.088758	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"306852"	206.110817	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"699274"	299.173617	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1456379"	113.048017	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"247168"	414.285026	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1212221"	228.159426	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1197197"	114.583351	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"194442"	417.22236	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"635098"	603.34796	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1145165"	231.09676	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"185175"	209.114818	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"622548"	302.177618	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1123869"	116.052018	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1408486"	77.7037706666667	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1443519"	233.138346	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"227027"	214.14784	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1518003"	247.19039	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"418053"	217.101788	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"779048"	310.164588	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1669910"	124.038988	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"256065"	436.266968	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1228042"	250.141368	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1716203"	250.164893	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1182650"	85.0310846666667	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1650066"	255.120288	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"160134"	449.17024	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"597868"	635.29584	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1084729"	263.04464	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"142599"	225.088758	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"582158"	318.151558	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1071657"	132.025958	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1100615"	265.059192	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1339068"	265.146807	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1005780"	269.185976	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1524175"	270.179608	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"992171"	135.096626	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1593236"	271.094228	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1422177"	301.125738	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1153557"	155.609901	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1699097"	318.152285	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1638760"	323.10768	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1576597"	339.08162	"C02217"	"10-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"806965"	87.032	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M"	0
"987058"	68.01361	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-H2O-H"	-19.01839
"73116"	57.0140573333333	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M-3H"	-3.021828
"518023"	86.024724	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M-3H"	-3.021828
"894853"	28.0033906666667	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-3H"	-3.021828
"14403"	86.024724	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M-2H"	-2.014552
"452992"	129.540724	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M-2H"	-2.014552
"827512"	42.508724	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-2H"	-2.014552
"87504"	173.056724	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M-H"	-1.007276
"524877"	260.088724	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M-H"	-1.007276
"899400"	86.024724	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-H"	-1.007276
"53775"	190.083271	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M-2H+NH4"	16.019271
"493335"	277.115271	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M-2H+NH4"	16.019271
"867857"	103.051271	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-2H+NH4"	16.019271
"36853"	195.038666	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M-2H+Na"	20.974666
"484070"	282.070666	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M-2H+Na"	20.974666
"854216"	108.006666	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-2H+Na"	20.974666
"1625937"	108.006666	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Na-2H"	20.974666
"103559"	104.013063	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M-H+Cl"	33.962126
"540932"	147.529063	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M-H+Cl"	33.962126
"937728"	60.497063	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-H+Cl"	33.962126
"268995"	209.033402	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+Cl"	34.969402
"667613"	296.065402	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+Cl"	34.969402
"1275277"	122.001402	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Cl"	34.969402
"24760"	211.012606	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M-2H+K"	36.948606
"461041"	298.044606	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M-2H+K"	36.948606
"847237"	123.980606	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-2H+K"	36.948606
"1566716"	123.980606	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+K-2H"	36.948606
"953503"	132.030194	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-H+HCOOH"	44.998194
"373905"	219.062201	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+HCOOH-H"	44.998201
"361318"	233.077851	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+Hac-H"	59.013851
"1507353"	146.045851	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Hac-H"	59.013851
"970884"	154.012151	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-H+NaCOOH"	66.980151
"121982"	122.001402	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+2Cl"	69.938804
"565551"	165.517402	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+2Cl"	69.938804
"1029249"	78.485402	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2Cl"	69.938804
"1252110"	165.950885	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Br"	78.918885
"1312370"	168.006872	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Cl+HCOOH"	80.974872
"1324398"	189.988829	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Cl+NaCOOH"	102.956829
"914727"	200.017586	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M-H+CF3COOH"	112.985586
"1300917"	235.994264	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Cl+CF3COOH"	148.962264
"1381752"	52.019324	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H-2H2O"	-35.012676
"1397308"	70.0293	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H-H2O"	-17.0027
"297847"	175.071276	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+H"	1.007276
"690634"	262.103276	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+H"	1.007276
"1365890"	88.039276	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H"	1.007276
"139388"	88.039276	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+2H"	2.014552
"579676"	131.555276	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+2H"	2.014552
"1051518"	44.523276	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2H"	2.014552
"219538"	59.0286093333333	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+3H"	3.021828
"659668"	88.039276	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+3H"	3.021828
"1177465"	30.0179426666667	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+3H"	3.021828
"439150"	192.097823	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+NH4"	18.033823
"800519"	279.129823	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+NH4"	18.033823
"1687008"	105.065823	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+NH4"	18.033823
"343310"	96.5525495	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+H+NH4"	19.041099
"736703"	140.0685495	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+H+NH4"	19.041099
"1489554"	53.0365495	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H+NH4"	19.041099
"400208"	197.053218	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+Na"	22.989218
"762298"	284.085218	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+Na"	22.989218
"1607116"	110.021218	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Na"	22.989218
"320434"	99.030247	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+H+Na"	23.996494
"716133"	142.546247	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+H+Na"	23.996494
"1462543"	55.514247	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H+Na"	23.996494
"1053031"	37.3452566666667	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2H+Na"	25.00377
"1258320"	120.065486	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+CH3OH+H"	33.033486
"379083"	213.027158	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+K"	38.963158
"741171"	300.059158	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+K"	38.963158
"1548693"	125.995158	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+K"	38.963158
"308055"	107.017217	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+H+K"	39.970434
"700479"	150.533217	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+H+K"	39.970434
"1451020"	63.501217	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H+K"	39.970434
"243997"	216.097826	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+ACN+H"	42.033826
"1211600"	129.065826	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+ACN+H"	42.033826
"1196209"	65.036551	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+ACN+2H"	43.041102
"191272"	219.03516	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+2Na-H"	44.97116
"635208"	306.06716	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+2Na-H"	44.97116
"1133610"	132.00316	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2Na-H"	44.97116
"176532"	110.021218	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+2Na"	45.978436
"619377"	153.537218	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+2Na"	45.978436
"1126164"	66.505218	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2Na"	45.978436
"1409690"	44.6725706666667	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H+2Na"	46.985712
"1442900"	134.044746	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H+HCOOH"	47.012746
"227136"	115.05424	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+3H2O+2H"	56.04448
"1517386"	148.09679	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+IsoProp+H"	61.06479
"418164"	118.008188	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+Na+K"	61.952376
"779158"	161.524188	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+Na+K"	61.952376
"1675488"	74.492188	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Na+K"	61.952376
"262007"	238.079768	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+ACN+Na"	64.015768
"1233622"	151.047768	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+ACN+Na"	64.015768
"1719231"	151.071293	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+NH4+HCOOH"	64.039293
"1181669"	51.9998846666667	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+3Na"	68.967654
"1656665"	156.026688	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Na+HCOOH"	68.994688
"159152"	250.98304	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+2K-H"	76.91904
"599074"	338.01504	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+2K-H"	76.91904
"1086868"	163.95104	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2K-H"	76.91904
"144412"	125.995158	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"2M+2K"	77.926316
"582632"	169.511158	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"3M+2K"	77.926316
"1071766"	82.479158	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2K"	77.926316
"1106071"	165.965592	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2K+H"	78.933592
"1339174"	166.053207	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+DMSO+H"	79.021207
"1006614"	170.092376	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2ACN+H"	83.060376
"1525464"	171.086008	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+IsoProp+Na+H"	84.054008
"993374"	85.549826	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+2ACN+2H"	84.067652
"1593346"	172.000628	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+K+HCOOH"	84.968628
"1422287"	202.032138	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+H+CF3COOH"	115.000138
"1154760"	106.063101	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+3ACN+2H"	125.094202
"1699937"	219.058685	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+NH4+CF3COOH"	132.026685
"1638870"	224.01408	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+Na+CF3COOH"	136.98208
"1576707"	239.98802	"C02218"	"Dehydroalanine;2-Aminoacrylate;2-Aminoprop-2-enoate"	"C3H5NO2"	"87.032"	"M+K+CF3COOH"	152.95602
"813640"	157.0375	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M"	0
"982798"	138.01911	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-H2O-H"	-19.01839
"72132"	103.684390666667	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M-3H"	-3.021828
"511693"	156.030224	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M-3H"	-3.021828
"889496"	51.3385573333333	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-3H"	-3.021828
"8070"	156.030224	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M-2H"	-2.014552
"444353"	234.548974	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M-2H"	-2.014552
"821425"	77.511474	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-2H"	-2.014552
"86520"	313.067724	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M-H"	-1.007276
"524988"	470.105224	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M-H"	-1.007276
"897076"	156.030224	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-H"	-1.007276
"48170"	330.094271	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M-2H+NH4"	16.019271
"490165"	487.131771	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M-2H+NH4"	16.019271
"867967"	173.056771	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-2H+NH4"	16.019271
"43529"	335.049666	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M-2H+Na"	20.974666
"486010"	492.087166	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M-2H+Na"	20.974666
"861983"	178.012166	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-2H+Na"	20.974666
"1628236"	178.012166	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Na-2H"	20.974666
"105858"	174.018563	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M-H+Cl"	33.962126
"543232"	252.537313	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M-H+Cl"	33.962126
"929455"	95.499813	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-H+Cl"	33.962126
"271292"	349.044402	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+Cl"	34.969402
"663350"	506.081902	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+Cl"	34.969402
"1277941"	192.006902	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Cl"	34.969402
"23777"	351.023606	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M-2H+K"	36.948606
"465523"	508.061106	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M-2H+K"	36.948606
"843333"	193.986106	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-2H+K"	36.948606
"1566822"	193.986106	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+K-2H"	36.948606
"950331"	202.035694	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-H+HCOOH"	44.998194
"374015"	359.073201	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+HCOOH-H"	44.998201
"360825"	373.088851	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+Hac-H"	59.013851
"1504181"	216.051351	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Hac-H"	59.013851
"970994"	224.017651	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-H+NaCOOH"	66.980151
"118811"	192.006902	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+2Cl"	69.938804
"564891"	270.525652	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+2Cl"	69.938804
"1036890"	113.488152	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2Cl"	69.938804
"1245658"	235.956385	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Br"	78.918885
"1310293"	238.012372	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Cl+HCOOH"	80.974872
"1321591"	259.994329	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Cl+NaCOOH"	102.956829
"912650"	270.023086	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M-H+CF3COOH"	112.985586
"1301026"	305.999764	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Cl+CF3COOH"	148.962264
"1382104"	122.024824	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H-2H2O"	-35.012676
"1397662"	140.0348	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H-H2O"	-17.0027
"298196"	315.082276	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+H"	1.007276
"690618"	472.119776	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+H"	1.007276
"1365873"	158.044776	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H"	1.007276
"140225"	158.044776	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+2H"	2.014552
"581240"	236.563526	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+2H"	2.014552
"1051864"	79.526026	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2H"	2.014552
"219283"	105.698942666667	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+3H"	3.021828
"658597"	158.044776	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+3H"	3.021828
"1178183"	53.3531093333333	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+3H"	3.021828
"438895"	332.108823	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+NH4"	18.033823
"801116"	489.146323	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+NH4"	18.033823
"1688212"	175.071323	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+NH4"	18.033823
"344146"	166.5580495	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+H+NH4"	19.041099
"736570"	245.0767995	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+H+NH4"	19.041099
"1490028"	88.0392995	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H+NH4"	19.041099
"402505"	337.064218	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+Na"	22.989218
"761315"	494.101718	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+Na"	22.989218
"1612693"	180.026718	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Na"	22.989218
"319450"	169.035747	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+H+Na"	23.996494
"716243"	247.554497	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+H+Na"	23.996494
"1463019"	90.516997	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H+Na"	23.996494
"1054928"	60.6804233333333	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2H+Na"	25.00377
"1259888"	190.070986	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+CH3OH+H"	33.033486
"384660"	353.038158	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+K"	38.963158
"742374"	510.075658	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+K"	38.963158
"1545521"	196.000658	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+K"	38.963158
"307072"	177.022717	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+H+K"	39.970434
"703872"	255.541467	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+H+K"	39.970434
"1453318"	98.503967	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H+K"	39.970434
"245201"	356.108826	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+ACN+H"	42.033826
"1216816"	199.071326	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+ACN+H"	42.033826
"1196685"	100.039301	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+ACN+2H"	43.041102
"196850"	359.04616	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+2Na-H"	44.97116
"638599"	516.08366	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+2Na-H"	44.97116
"1137731"	202.00866	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2Na-H"	44.97116
"184301"	180.026718	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+2Na"	45.978436
"622768"	258.545468	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+2Na"	45.978436
"1127368"	101.507968	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2Na"	45.978436
"1410894"	68.0077373333333	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H+2Na"	46.985712
"1441918"	204.050246	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H+HCOOH"	47.012746
"231256"	185.05974	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+3H2O+2H"	56.04448
"1518590"	218.10229	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+IsoProp+H"	61.06479
"420101"	188.013688	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+Na+K"	61.952376
"779270"	266.532438	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+Na+K"	61.952376
"1673414"	109.494938	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Na+K"	61.952376
"261755"	378.090768	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+ACN+Na"	64.015768
"1230453"	221.053268	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+ACN+Na"	64.015768
"1720435"	221.076793	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+NH4+HCOOH"	64.039293
"1183602"	75.3350513333333	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+3Na"	68.967654
"1653496"	226.032188	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Na+HCOOH"	68.994688
"161450"	390.99404	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+2K-H"	76.91904
"602103"	548.03154	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+2K-H"	76.91904
"1089895"	233.95654	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2K-H"	76.91904
"144524"	196.000658	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"2M+2K"	77.926316
"581812"	274.519408	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"3M+2K"	77.926316
"1070783"	117.481908	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2K"	77.926316
"1108368"	235.971092	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2K+H"	78.933592
"1339284"	236.058707	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+DMSO+H"	79.021207
"1008910"	240.097876	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2ACN+H"	83.060376
"1525941"	241.091508	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+IsoProp+Na+H"	84.054008
"993484"	120.552576	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+2ACN+2H"	84.067652
"1600748"	242.006128	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+K+HCOOH"	84.968628
"1428958"	272.037638	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+H+CF3COOH"	115.000138
"1157059"	141.065851	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+3ACN+2H"	125.094202
"1707704"	289.064185	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+NH4+CF3COOH"	132.026685
"1642262"	294.01958	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+Na+CF3COOH"	136.98208
"1580099"	309.99352	"C02220"	"2-Aminomuconate;2-Aminomuconic acid;o-Aminomuconate"	"C6H7NO4"	"157.0375"	"M+K+CF3COOH"	152.95602
"815571"	104.0374	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M"	0
"986188"	85.01901	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H2O-H"	-19.01839
"74429"	68.3509906666667	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-3H"	-3.021828
"515084"	103.030124	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-3H"	-3.021828
"890700"	33.6718573333333	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-3H"	-3.021828
"12554"	103.030124	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H"	-2.014552
"451025"	155.048824	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H"	-2.014552
"825547"	51.011424	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H"	-2.014552
"83351"	207.067524	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-H"	-1.007276
"519867"	311.104924	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-H"	-1.007276
"896943"	103.030124	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H"	-1.007276
"49620"	224.094071	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H+NH4"	16.019271
"490275"	328.131471	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H+NH4"	16.019271
"866985"	120.056671	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H+NH4"	16.019271
"42545"	229.049466	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H+Na"	20.974666
"484292"	333.086866	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H+Na"	20.974666
"861000"	125.012066	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H+Na"	20.974666
"1629439"	125.012066	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na-2H"	20.974666
"107061"	121.018463	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-H+Cl"	33.962126
"544434"	173.037163	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-H+Cl"	33.962126
"937949"	68.999763	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+Cl"	33.962126
"274319"	243.044202	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Cl"	34.969402
"668928"	347.081602	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+Cl"	34.969402
"1279144"	139.006802	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl"	34.969402
"24980"	245.023406	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H+K"	36.948606
"462354"	349.060806	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H+K"	36.948606
"843443"	140.986006	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H+K"	36.948606
"1568026"	140.986006	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K-2H"	36.948606
"950441"	149.035594	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+HCOOH"	44.998194
"369749"	253.073001	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+HCOOH-H"	44.998201
"361354"	267.088651	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Hac-H"	59.013851
"1508181"	163.051251	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Hac-H"	59.013851
"970740"	171.017551	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+NaCOOH"	66.980151
"124389"	139.006802	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2Cl"	69.938804
"564800"	191.025502	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2Cl"	69.938804
"1031654"	86.988102	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2Cl"	69.938804
"1247955"	182.956285	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Br"	78.918885
"1312591"	185.012272	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl+HCOOH"	80.974872
"1328993"	206.994229	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl+NaCOOH"	102.956829
"917864"	217.022986	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+CF3COOH"	112.985586
"1303898"	252.999664	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl+CF3COOH"	148.962264
"1381486"	69.024724	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H-2H2O"	-35.012676
"1398443"	87.0347	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H-H2O"	-17.0027
"298497"	209.082076	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H"	1.007276
"691141"	313.119476	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H"	1.007276
"1365620"	105.044676	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H"	1.007276
"140699"	105.044676	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2H"	2.014552
"580258"	157.063376	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2H"	2.014552
"1051612"	53.025976	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2H"	2.014552
"219714"	70.3655426666667	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+3H"	3.021828
"659313"	105.044676	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+3H"	3.021828
"1177929"	35.6864093333333	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+3H"	3.021828
"438645"	226.108623	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+NH4"	18.033823
"801107"	330.146023	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+NH4"	18.033823
"1695249"	122.071223	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+NH4"	18.033823
"345660"	113.5579495	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H+NH4"	19.041099
"738140"	165.5766495	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H+NH4"	19.041099
"1492289"	61.5392495	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+NH4"	19.041099
"401523"	231.064018	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Na"	22.989218
"764706"	335.101418	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+Na"	22.989218
"1610617"	127.026618	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na"	22.989218
"325027"	116.035647	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H+Na"	23.996494
"720363"	168.054347	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H+Na"	23.996494
"1463008"	64.016947	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+Na"	23.996494
"1055039"	43.0137233333333	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2H+Na"	25.00377
"1259998"	137.070886	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+CH3OH+H"	33.033486
"384771"	247.037958	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+K"	38.963158
"743578"	351.075358	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+K"	38.963158
"1548912"	143.000558	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K"	38.963158
"308276"	124.022617	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H+K"	39.970434
"703983"	176.041317	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H+K"	39.970434
"1453430"	72.003917	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+K"	39.970434
"245313"	250.108626	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+ACN+H"	42.033826
"1222394"	146.071226	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+ACN+H"	42.033826
"1202996"	73.539251	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+ACN+2H"	43.041102
"194774"	253.04596	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2Na-H"	44.97116
"641993"	357.08336	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2Na-H"	44.97116
"1145496"	149.00856	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2Na-H"	44.97116
"185509"	127.026618	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2Na"	45.978436
"626161"	179.045318	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2Na"	45.978436
"1126387"	75.007918	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2Na"	45.978436
"1413071"	50.3410373333333	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+2Na"	46.985712
"1443851"	151.050146	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+HCOOH"	47.012746
"228450"	132.05964	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+3H2O+2H"	56.04448
"1517606"	165.10219	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+IsoProp+H"	61.06479
"419480"	135.013588	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Na+K"	61.952376
"779382"	187.032288	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+Na+K"	61.952376
"1676805"	82.994888	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na+K"	61.952376
"261137"	272.090568	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+ACN+Na"	64.015768
"1234939"	168.053168	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+ACN+Na"	64.015768
"1721639"	168.076693	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+NH4+HCOOH"	64.039293
"1182618"	57.6683513333333	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+3Na"	68.967654
"1657980"	173.032088	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na+HCOOH"	68.994688
"165933"	284.99384	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2K-H"	76.91904
"607681"	389.03124	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2K-H"	76.91904
"1091100"	180.95644	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2K-H"	76.91904
"146821"	143.000558	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2K"	77.926316
"586382"	195.019258	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2K"	77.926316
"1070893"	90.981858	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2K"	77.926316
"1110666"	182.970992	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2K+H"	78.933592
"1343769"	183.058607	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+DMSO+H"	79.021207
"1018500"	187.097776	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2ACN+H"	83.060376
"1526054"	188.091408	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+IsoProp+Na+H"	84.054008
"996876"	94.052526	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2ACN+2H"	84.067652
"1601222"	189.006028	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K+HCOOH"	84.968628
"1429068"	219.037538	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+CF3COOH"	115.000138
"1157169"	114.565801	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+3ACN+2H"	125.094202
"1707814"	236.064085	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+NH4+CF3COOH"	132.026685
"1642372"	241.01948	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na+CF3COOH"	136.98208
"1580209"	256.99342	"C02221"	"2-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K+CF3COOH"	152.95602
"813859"	158.0215	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M"	0
"981925"	139.00311	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-H2O-H"	-19.01839
"69072"	104.340390666667	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M-3H"	-3.021828
"508633"	157.014224	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M-3H"	-3.021828
"887529"	51.6665573333333	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-3H"	-3.021828
"3915"	157.014224	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M-2H"	-2.014552
"446758"	236.024974	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M-2H"	-2.014552
"826748"	78.003474	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-2H"	-2.014552
"90019"	315.035724	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M-H"	-1.007276
"522654"	473.057224	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M-H"	-1.007276
"899364"	157.014224	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-H"	-1.007276
"49730"	332.062271	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M-2H+NH4"	16.019271
"488438"	490.083771	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M-2H+NH4"	16.019271
"869283"	174.040771	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-2H+NH4"	16.019271
"42656"	337.017666	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M-2H+Na"	20.974666
"485497"	495.039166	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M-2H+Na"	20.974666
"862203"	178.996166	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-2H+Na"	20.974666
"1624081"	178.996166	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Na-2H"	20.974666
"100610"	175.002563	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M-H+Cl"	33.962126
"542358"	254.013313	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M-H+Cl"	33.962126
"936966"	95.991813	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-H+Cl"	33.962126
"268471"	351.012402	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+Cl"	34.969402
"667945"	509.033902	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+Cl"	34.969402
"1277068"	192.990902	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Cl"	34.969402
"20717"	352.991606	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M-2H+K"	36.948606
"461371"	511.013106	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M-2H+K"	36.948606
"843553"	194.970106	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-2H+K"	36.948606
"1570931"	194.970106	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+K-2H"	36.948606
"953830"	203.019694	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-H+HCOOH"	44.998194
"373138"	361.041201	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+HCOOH-H"	44.998201
"361059"	375.056851	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+Hac-H"	59.013851
"1507806"	217.035351	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Hac-H"	59.013851
"971214"	225.001651	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-H+NaCOOH"	66.980151
"124746"	192.990902	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+2Cl"	69.938804
"564059"	272.001652	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+2Cl"	69.938804
"1032858"	113.980152	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2Cl"	69.938804
"1255722"	236.940385	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Br"	78.918885
"1312701"	238.996372	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Cl+HCOOH"	80.974872
"1329103"	260.978329	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Cl+NaCOOH"	102.956829
"921256"	271.007086	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M-H+CF3COOH"	112.985586
"1303680"	306.983764	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Cl+CF3COOH"	148.962264
"1380501"	123.008824	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H-2H2O"	-35.012676
"1398291"	141.0188	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H-H2O"	-17.0027
"297689"	317.050276	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+H"	1.007276
"690845"	475.071776	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+H"	1.007276
"1366095"	159.028776	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H"	1.007276
"140810"	159.028776	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+2H"	2.014552
"580974"	238.039526	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+2H"	2.014552
"1051357"	80.018026	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2H"	2.014552
"219703"	106.354942666667	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+3H"	3.021828
"658448"	159.028776	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+3H"	3.021828
"1178033"	53.6811093333333	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+3H"	3.021828
"439361"	334.076823	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+NH4"	18.033823
"801298"	492.098323	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+NH4"	18.033823
"1696699"	176.055323	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+NH4"	18.033823
"345385"	167.5420495	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+H+NH4"	19.041099
"737520"	246.5527995	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+H+NH4"	19.041099
"1491826"	88.5312995	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H+NH4"	19.041099
"399446"	339.032218	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+Na"	22.989218
"761536"	497.053718	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+Na"	22.989218
"1610726"	181.010718	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Na"	22.989218
"324044"	170.019747	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+H+Na"	23.996494
"720838"	249.030497	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+H+Na"	23.996494
"1465913"	91.008997	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H+Na"	23.996494
"1055149"	61.0084233333333	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2H+Na"	25.00377
"1259136"	191.054986	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+CH3OH+H"	33.033486
"383788"	355.006158	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+K"	38.963158
"742595"	513.027658	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+K"	38.963158
"1547929"	196.984658	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+K"	38.963158
"305107"	178.006717	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+H+K"	39.970434
"704094"	257.017467	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+H+K"	39.970434
"1454633"	98.995967	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H+K"	39.970434
"244329"	358.076826	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+ACN+H"	42.033826
"1222504"	200.055326	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+ACN+H"	42.033826
"1203106"	100.531301	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+ACN+2H"	43.041102
"198164"	361.01416	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+2Na-H"	44.97116
"642832"	519.03566	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+2Na-H"	44.97116
"1146459"	202.99266	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2Na-H"	44.97116
"187685"	181.010718	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+2Na"	45.978436
"628098"	260.021468	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+2Na"	45.978436
"1127591"	101.999968	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2Na"	45.978436
"1411116"	68.3357373333333	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H+2Na"	46.985712
"1442138"	205.034246	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H+HCOOH"	47.012746
"233664"	186.04374	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+3H2O+2H"	56.04448
"1523552"	219.08629	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+IsoProp+H"	61.06479
"421776"	188.997688	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+Na+K"	61.952376
"781678"	268.008438	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+Na+K"	61.952376
"1676916"	109.986938	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Na+K"	61.952376
"262341"	380.058768	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+ACN+Na"	64.015768
"1235049"	222.037268	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+ACN+Na"	64.015768
"1721749"	222.060793	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+NH4+HCOOH"	64.039293
"1182728"	75.6630513333333	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+3Na"	68.967654
"1658090"	227.016188	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Na+HCOOH"	68.994688
"162763"	392.96204	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+2K-H"	76.91904
"607791"	550.98354	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+2K-H"	76.91904
"1094490"	234.94054	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2K-H"	76.91904
"150211"	196.984658	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"2M+2K"	77.926316
"585398"	275.995408	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"3M+2K"	77.926316
"1071003"	117.973908	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2K"	77.926316
"1110776"	236.955092	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2K+H"	78.933592
"1342786"	237.042707	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+DMSO+H"	79.021207
"1018853"	241.081876	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2ACN+H"	83.060376
"1531631"	242.075508	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+IsoProp+Na+H"	84.054008
"999173"	121.044576	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+2ACN+2H"	84.067652
"1601332"	242.990128	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+K+HCOOH"	84.968628
"1428085"	273.021638	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+H+CF3COOH"	115.000138
"1157279"	141.557851	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+3ACN+2H"	125.094202
"1707924"	290.048185	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+NH4+CF3COOH"	132.026685
"1645762"	295.00358	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+Na+CF3COOH"	136.98208
"1580319"	310.97752	"C02222"	"2-Maleylacetate;4-Oxohex-2-enedioate;Maleylacetate"	"C6H6O5"	"158.0215"	"M+K+CF3COOH"	152.95602
"813969"	86.0732	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M"	0
"985315"	67.05481	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-H2O-H"	-19.01839
"69182"	56.3748573333333	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M-3H"	-3.021828
"507650"	85.065924	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M-3H"	-3.021828
"888732"	27.6837906666667	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-3H"	-3.021828
"2932"	85.065924	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M-2H"	-2.014552
"445774"	128.102524	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M-2H"	-2.014552
"818109"	42.029324	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-2H"	-2.014552
"86849"	171.139124	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M-H"	-1.007276
"522034"	257.212324	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M-H"	-1.007276
"899840"	85.065924	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-H"	-1.007276
"47282"	188.165671	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M-2H+NH4"	16.019271
"489400"	274.238871	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M-2H+NH4"	16.019271
"868298"	102.092471	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-2H+NH4"	16.019271
"31448"	193.121066	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M-2H+Na"	20.974666
"474667"	279.194266	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M-2H+Na"	20.974666
"852835"	107.047866	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-2H+Na"	20.974666
"1624191"	107.047866	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Na-2H"	20.974666
"100720"	103.054263	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M-H+Cl"	33.962126
"543561"	146.090863	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M-H+Cl"	33.962126
"933796"	60.017663	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-H+Cl"	33.962126
"269068"	207.115802	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+Cl"	34.969402
"668055"	293.189002	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+Cl"	34.969402
"1277178"	121.042602	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Cl"	34.969402
"18640"	209.095006	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M-2H+K"	36.948606
"462576"	295.168206	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M-2H+K"	36.948606
"843663"	123.021806	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-2H+K"	36.948606
"1566056"	123.021806	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+K-2H"	36.948606
"948471"	131.071394	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-H+HCOOH"	44.998194
"367780"	217.144601	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+HCOOH-H"	44.998201
"361234"	231.160251	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+Hac-H"	59.013851
"1507066"	145.087051	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Hac-H"	59.013851
"972418"	153.053351	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-H+NaCOOH"	66.980151
"124612"	121.042602	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+2Cl"	69.938804
"565388"	164.079202	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+2Cl"	69.938804
"1034061"	78.006002	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2Cl"	69.938804
"1251453"	164.992085	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Br"	78.918885
"1310624"	167.048072	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Cl+HCOOH"	80.974872
"1329213"	189.030029	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Cl+NaCOOH"	102.956829
"921366"	199.058786	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M-H+CF3COOH"	112.985586
"1300263"	235.035464	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Cl+CF3COOH"	148.962264
"1375143"	51.060524	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H-2H2O"	-35.012676
"1398272"	69.0705	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H-H2O"	-17.0027
"297071"	173.153676	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+H"	1.007276
"689494"	259.226876	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+H"	1.007276
"1366567"	87.080476	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H"	1.007276
"140550"	87.080476	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+2H"	2.014552
"580716"	130.117076	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+2H"	2.014552
"1051828"	44.043876	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2H"	2.014552
"219487"	58.3894093333333	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+3H"	3.021828
"658558"	87.080476	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+3H"	3.021828
"1178363"	29.6983426666667	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+3H"	3.021828
"437403"	190.180223	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+NH4"	18.033823
"800230"	276.253423	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+NH4"	18.033823
"1696443"	104.107023	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+NH4"	18.033823
"345084"	95.5937495	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+H+NH4"	19.041099
"738118"	138.6303495	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+H+NH4"	19.041099
"1490719"	52.5571495	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H+NH4"	19.041099
"399557"	195.135618	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+Na"	22.989218
"759459"	281.208818	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+Na"	22.989218
"1610836"	109.062418	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Na"	22.989218
"319780"	98.071447	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+H+Na"	23.996494
"718760"	141.108047	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+H+Na"	23.996494
"1461520"	55.034847	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H+Na"	23.996494
"1053919"	37.0256566666667	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2H+Na"	25.00377
"1260218"	119.106686	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+CH3OH+H"	33.033486
"386085"	211.109558	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+K"	38.963158
"742705"	297.182758	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+K"	38.963158
"1548041"	125.036358	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+K"	38.963158
"305217"	106.058417	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+H+K"	39.970434
"703109"	149.095017	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+H+K"	39.970434
"1457660"	63.021817	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H+K"	39.970434
"245533"	214.180226	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+ACN+H"	42.033826
"1221520"	128.107026	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+ACN+H"	42.033826
"1205403"	64.557151	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+ACN+2H"	43.041102
"200461"	217.11756	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+2Na-H"	44.97116
"642578"	303.19076	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+2Na-H"	44.97116
"1145962"	131.04436	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2Na-H"	44.97116
"186821"	109.062418	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+2Na"	45.978436
"627475"	152.099018	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+2Na"	45.978436
"1128432"	66.025818	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2Na"	45.978436
"1409040"	44.3529706666667	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H+2Na"	46.985712
"1442250"	133.085946	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H+HCOOH"	47.012746
"235549"	114.09544	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+3H2O+2H"	56.04448
"1523625"	147.13799	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+IsoProp+H"	61.06479
"421886"	117.049388	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+Na+K"	61.952376
"781788"	160.085988	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+Na+K"	61.952376
"1677026"	74.012788	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Na+K"	61.952376
"264274"	236.162168	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+ACN+Na"	64.015768
"1237345"	150.088968	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+ACN+Na"	64.015768
"1722951"	150.112493	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+NH4+HCOOH"	64.039293
"1183931"	51.6802846666667	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+3Na"	68.967654
"1660387"	155.067888	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Na+HCOOH"	68.994688
"162873"	249.06544	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+2K-H"	76.91904
"606808"	335.13864	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+2K-H"	76.91904
"1094601"	162.99224	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2K-H"	76.91904
"148136"	125.036358	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"2M+2K"	77.926316
"584415"	168.072958	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"3M+2K"	77.926316
"1070020"	81.999758	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2K"	77.926316
"1110886"	165.006792	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2K+H"	78.933592
"1342896"	165.094407	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+DMSO+H"	79.021207
"1019207"	169.133576	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2ACN+H"	83.060376
"1535021"	170.127208	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+IsoProp+Na+H"	84.054008
"999283"	85.070426	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+2ACN+2H"	84.067652
"1601442"	171.041828	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+K+HCOOH"	84.968628
"1428195"	201.073338	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+H+CF3COOH"	115.000138
"1157389"	105.583701	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+3ACN+2H"	125.094202
"1708034"	218.099885	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+NH4+CF3COOH"	132.026685
"1645872"	223.05528	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+Na+CF3COOH"	136.98208
"1580429"	239.02922	"C02223"	"2-Methylbutanal;2-Methylbutyraldehyde"	"C5H10O"	"86.0732"	"M+K+CF3COOH"	152.95602
"816591"	118.1232	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M"	0
"986518"	99.10481	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-H2O-H"	-19.01839
"68198"	77.741524	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M-3H"	-3.021828
"508853"	117.115924	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M-3H"	-3.021828
"887748"	38.367124	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-3H"	-3.021828
"3041"	117.115924	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M-2H"	-2.014552
"445884"	176.177524	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M-2H"	-2.014552
"820769"	58.054324	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-2H"	-2.014552
"85865"	235.239124	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M-H"	-1.007276
"522144"	353.362324	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M-H"	-1.007276
"897882"	117.115924	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-H"	-1.007276
"47515"	252.265671	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M-2H+NH4"	16.019271
"489874"	370.388871	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M-2H+NH4"	16.019271
"867313"	134.142471	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-2H+NH4"	16.019271
"31722"	257.221066	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M-2H+Na"	20.974666
"474047"	375.344266	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M-2H+Na"	20.974666
"852581"	139.097866	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-2H+Na"	20.974666
"1623208"	139.097866	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Na-2H"	20.974666
"99737"	135.104263	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M-H+Cl"	33.962126
"540391"	194.165863	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M-H+Cl"	33.962126
"929527"	76.042663	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-H+Cl"	33.962126
"268811"	271.215802	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+Cl"	34.969402
"661963"	389.339002	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+Cl"	34.969402
"1277288"	153.092602	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Cl"	34.969402
"19840"	273.195006	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M-2H+K"	36.948606
"456847"	391.318206	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M-2H+K"	36.948606
"840491"	155.071806	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-2H+K"	36.948606
"1560699"	155.071806	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+K-2H"	36.948606
"944206"	163.121394	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-H+HCOOH"	44.998194
"363149"	281.244601	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+HCOOH-H"	44.998201
"361147"	295.260251	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+Hac-H"	59.013851
"1507173"	177.137051	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Hac-H"	59.013851
"967057"	185.103351	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-H+NaCOOH"	66.980151
"119251"	153.092602	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+2Cl"	69.938804
"563187"	212.154202	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+2Cl"	69.938804
"1035996"	94.031002	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2Cl"	69.938804
"1249376"	197.042085	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Br"	78.918885
"1316199"	199.098072	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Cl+HCOOH"	80.974872
"1319979"	221.080029	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Cl+NaCOOH"	102.956829
"918195"	231.108786	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M-H+CF3COOH"	112.985586
"1301466"	267.085464	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Cl+CF3COOH"	148.962264
"1375253"	83.110524	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H-2H2O"	-35.012676
"1398369"	101.1205	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H-H2O"	-17.0027
"297665"	237.253676	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+H"	1.007276
"689969"	355.376876	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+H"	1.007276
"1367012"	119.130476	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H"	1.007276
"140298"	119.130476	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+2H"	2.014552
"580829"	178.192076	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+2H"	2.014552
"1050719"	60.068876	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2H"	2.014552
"219757"	79.756076	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+3H"	3.021828
"655385"	119.130476	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+3H"	3.021828
"1176428"	40.381676	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+3H"	3.021828
"434596"	254.280223	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+NH4"	18.033823
"798870"	372.403423	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+NH4"	18.033823
"1695574"	136.157023	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+NH4"	18.033823
"343489"	127.6437495	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+H+NH4"	19.041099
"734817"	186.7053495	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+H+NH4"	19.041099
"1489003"	68.5821495	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H+NH4"	19.041099
"393833"	259.235618	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+Na"	22.989218
"755195"	377.358818	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+Na"	22.989218
"1602866"	141.112418	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Na"	22.989218
"316610"	130.121447	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+H+Na"	23.996494
"711216"	189.183047	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+H+Na"	23.996494
"1461425"	71.059847	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H+Na"	23.996494
"1054640"	47.70899	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2H+Na"	25.00377
"1260327"	151.156686	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+CH3OH+H"	33.033486
"378904"	275.209558	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+K"	38.963158
"739004"	393.332758	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+K"	38.963158
"1540857"	157.086358	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+K"	38.963158
"299122"	138.108417	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+H+K"	39.970434
"693369"	197.170017	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+H+K"	39.970434
"1453757"	79.046817	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H+K"	39.970434
"243455"	278.280226	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+ACN+H"	42.033826
"1214339"	160.157026	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+ACN+H"	42.033826
"1196395"	80.582151	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+ACN+2H"	43.041102
"192185"	281.21756	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+2Na-H"	44.97116
"639040"	399.34076	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+2Na-H"	44.97116
"1142545"	163.09436	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2Na-H"	44.97116
"184744"	141.112418	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+2Na"	45.978436
"623208"	200.174018	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+2Na"	45.978436
"1123436"	82.050818	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2Na"	45.978436
"1407689"	55.036304	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H+2Na"	46.985712
"1437984"	165.135946	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H+HCOOH"	47.012746
"233154"	146.14544	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+3H2O+2H"	56.04448
"1522310"	179.18799	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+IsoProp+H"	61.06479
"415435"	149.099388	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+Na+K"	61.952376
"777521"	208.160988	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+Na+K"	61.952376
"1673853"	90.037788	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Na+K"	61.952376
"261465"	300.262168	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+ACN+Na"	64.015768
"1233079"	182.138968	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+ACN+Na"	64.015768
"1719781"	182.162493	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+NH4+HCOOH"	64.039293
"1180760"	62.363618	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+3Na"	68.967654
"1655028"	187.117888	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Na+HCOOH"	68.994688
"159702"	313.16544	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+2K-H"	76.91904
"602542"	431.28864	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+2K-H"	76.91904
"1090337"	195.04224	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2K-H"	76.91904
"144964"	157.086358	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"2M+2K"	77.926316
"581726"	216.147958	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"3M+2K"	77.926316
"1068791"	98.024758	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2K"	77.926316
"1103339"	197.056792	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2K+H"	78.933592
"1335952"	197.144407	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+DMSO+H"	79.021207
"1012631"	201.183576	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2ACN+H"	83.060376
"1525651"	202.177208	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+IsoProp+Na+H"	84.054008
"993923"	101.095426	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+2ACN+2H"	84.067652
"1599365"	203.091828	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+K+HCOOH"	84.968628
"1421743"	233.123338	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+H+CF3COOH"	115.000138
"1156406"	121.608701	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+3ACN+2H"	125.094202
"1708144"	250.149885	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+NH4+CF3COOH"	132.026685
"1643794"	255.10528	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+Na+CF3COOH"	136.98208
"1580539"	271.07922	"C02224"	"2-Methylcholine"	"C6H16NO"	"118.1232"	"M+K+CF3COOH"	152.95602
"814188"	206.0427	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M"	0
"986629"	187.02431	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-H2O-H"	-19.01839
"67215"	136.354524	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M-3H"	-3.021828
"510056"	205.035424	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M-3H"	-3.021828
"887858"	67.673624	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-3H"	-3.021828
"3151"	205.035424	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M-2H"	-2.014552
"449274"	308.056774	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M-2H"	-2.014552
"820515"	102.014074	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-2H"	-2.014552
"88162"	411.078124	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M-H"	-1.007276
"526629"	617.120824	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M-H"	-1.007276
"901148"	205.035424	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-H"	-1.007276
"56618"	428.104671	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M-2H+NH4"	16.019271
"489010"	634.147371	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M-2H+NH4"	16.019271
"868152"	222.061971	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-2H+NH4"	16.019271
"32764"	433.060066	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M-2H+Na"	20.974666
"474886"	639.102766	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M-2H+Na"	20.974666
"851231"	227.017366	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-2H+Na"	20.974666
"1623318"	227.017366	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Na-2H"	20.974666
"103127"	223.023763	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M-H+Cl"	33.962126
"543782"	326.045113	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M-H+Cl"	33.962126
"928301"	120.002413	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-H+Cl"	33.962126
"268559"	447.054802	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+Cl"	34.969402
"662803"	653.097502	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+Cl"	34.969402
"1275206"	241.012102	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Cl"	34.969402
"19586"	449.034006	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M-2H+K"	36.948606
"458779"	655.076706	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M-2H+K"	36.948606
"843881"	242.991306	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-2H+K"	36.948606
"1564089"	242.991306	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+K-2H"	36.948606
"945410"	251.040894	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-H+HCOOH"	44.998194
"361678"	457.083601	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+HCOOH-H"	44.998201
"361139"	471.099251	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+Hac-H"	59.013851
"1506434"	265.056551	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Hac-H"	59.013851
"967167"	273.022851	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-H+NaCOOH"	66.980151
"122277"	241.012102	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+2Cl"	69.938804
"563661"	344.033452	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+2Cl"	69.938804
"1035741"	137.990752	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2Cl"	69.938804
"1249486"	284.961585	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Br"	78.918885
"1314122"	287.017572	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Cl+HCOOH"	80.974872
"1323965"	308.999529	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Cl+NaCOOH"	102.956829
"915023"	319.028286	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M-H+CF3COOH"	112.985586
"1299755"	355.004964	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Cl+CF3COOH"	148.962264
"1375363"	171.030024	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H-2H2O"	-35.012676
"1397606"	189.04	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H-H2O"	-17.0027
"296923"	413.092676	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+H"	1.007276
"689716"	619.135376	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+H"	1.007276
"1366423"	207.049976	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H"	1.007276
"139313"	207.049976	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+2H"	2.014552
"578872"	310.071326	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+2H"	2.014552
"1048765"	104.028626	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2H"	2.014552
"218854"	138.369076	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+3H"	3.021828
"655495"	207.049976	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+3H"	3.021828
"1177269"	69.688176	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+3H"	3.021828
"436528"	430.119223	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+NH4"	18.033823
"798252"	636.161923	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+NH4"	18.033823
"1694955"	224.076523	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+NH4"	18.033823
"344692"	215.5632495	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+H+NH4"	19.041099
"736020"	318.5845995	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+H+NH4"	19.041099
"1486560"	112.5418995	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H+NH4"	19.041099
"393698"	435.074618	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+Na"	22.989218
"756398"	641.117318	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+Na"	22.989218
"1602902"	229.031918	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Na"	22.989218
"314896"	218.040947	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+H+Na"	23.996494
"710233"	321.062297	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+H+Na"	23.996494
"1461577"	115.019597	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H+Na"	23.996494
"1053892"	77.01549	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2H+Na"	25.00377
"1258979"	239.076186	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+CH3OH+H"	33.033486
"377671"	451.048558	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+K"	38.963158
"739399"	657.091258	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+K"	38.963158
"1540111"	245.005858	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+K"	38.963158
"299965"	226.027917	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+H+K"	39.970434
"693479"	329.049267	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+H+K"	39.970434
"1452774"	123.006567	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H+K"	39.970434
"243563"	454.119226	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+ACN+H"	42.033826
"1218460"	248.076526	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+ACN+H"	42.033826
"1196143"	124.541901	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+ACN+2H"	43.041102
"194847"	457.05656	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+2Na-H"	44.97116
"638059"	663.09926	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+2Na-H"	44.97116
"1141563"	251.01386	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2Na-H"	44.97116
"182667"	229.031918	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+2Na"	45.978436
"622226"	332.053268	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+2Na"	45.978436
"1125733"	126.010568	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2Na"	45.978436
"1407800"	84.342804	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H+2Na"	46.985712
"1435908"	253.055446	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H+HCOOH"	47.012746
"228890"	234.06494	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+3H2O+2H"	56.04448
"1519139"	267.10749	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+IsoProp+H"	61.06479
"414451"	237.018888	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+Na+K"	61.952376
"773257"	340.040238	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+Na+K"	61.952376
"1671777"	133.997538	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Na+K"	61.952376
"256108"	476.101168	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+ACN+Na"	64.015768
"1227718"	270.058468	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+ACN+Na"	64.015768
"1714424"	270.081993	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+NH4+HCOOH"	64.039293
"1180502"	91.670118	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+3Na"	68.967654
"1655138"	275.037388	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Na+HCOOH"	68.994688
"162366"	489.00444	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+2K-H"	76.91904
"600467"	695.04714	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+2K-H"	76.91904
"1089354"	282.96174	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2K-H"	76.91904
"143981"	245.005858	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"2M+2K"	77.926316
"582445"	348.027208	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"3M+2K"	77.926316
"1070603"	141.984508	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2K"	77.926316
"1101504"	284.976292	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2K+H"	78.933592
"1335690"	285.063907	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+DMSO+H"	79.021207
"1009460"	289.103076	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2ACN+H"	83.060376
"1525761"	290.096708	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+IsoProp+Na+H"	84.054008
"991360"	145.055176	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+2ACN+2H"	84.067652
"1598382"	291.011328	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+K+HCOOH"	84.968628
"1420760"	321.042838	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+H+CF3COOH"	115.000138
"1156516"	165.568451	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+3ACN+2H"	125.094202
"1708254"	338.069385	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+NH4+CF3COOH"	132.026685
"1646091"	343.02478	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+Na+CF3COOH"	136.98208
"1580649"	358.99872	"C02225"	"2-Methylcitrate;(2S3S)-2-Methylcitrate;2-Hydroxybutane-123-tricarboxylate;(2S3S)-2-Hydroxybutane-123-tricarboxylate"	"C7H10O7"	"206.0427"	"M+K+CF3COOH"	152.95602
"815391"	130.0266	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M"	0
"981270"	111.00821	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-H2O-H"	-19.01839
"67324"	85.677124	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M-3H"	-3.021828
"511259"	129.019324	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M-3H"	-3.021828
"889061"	42.334924	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-3H"	-3.021828
"3261"	129.019324	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M-2H"	-2.014552
"446104"	194.032624	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M-2H"	-2.014552
"819529"	64.006024	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-2H"	-2.014552
"86086"	259.045924	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M-H"	-1.007276
"528924"	389.072524	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M-H"	-1.007276
"902352"	129.019324	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-H"	-1.007276
"58915"	276.072471	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M-2H+NH4"	16.019271
"490821"	406.099071	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M-2H+NH4"	16.019271
"866924"	146.045871	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-2H+NH4"	16.019271
"32387"	281.027866	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M-2H+Na"	20.974666
"474996"	411.054466	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M-2H+Na"	20.974666
"852434"	151.001266	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-2H+Na"	20.974666
"1623428"	151.001266	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Na-2H"	20.974666
"103237"	147.007663	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M-H+Cl"	33.962126
"543892"	212.020963	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M-H+Cl"	33.962126
"929747"	81.994363	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-H+Cl"	33.962126
"270126"	295.022602	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+Cl"	34.969402
"662914"	425.049202	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+Cl"	34.969402
"1275681"	164.996002	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Cl"	34.969402
"17752"	297.001806	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M-2H+K"	36.948606
"457432"	427.028406	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M-2H+K"	36.948606
"843991"	166.975206	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-2H+K"	36.948606
"1560919"	166.975206	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+K-2H"	36.948606
"943454"	175.024794	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-H+HCOOH"	44.998194
"361459"	305.051401	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+HCOOH-H"	44.998201
"360150"	319.067051	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+Hac-H"	59.013851
"1505935"	189.040451	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Hac-H"	59.013851
"967277"	197.006751	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-H+NaCOOH"	66.980151
"116191"	164.996002	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+2Cl"	69.938804
"562311"	230.009302	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+2Cl"	69.938804
"1036822"	99.982702	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2Cl"	69.938804
"1246316"	208.945485	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Br"	78.918885
"1307672"	211.001472	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Cl+HCOOH"	80.974872
"1325168"	232.983429	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Cl+NaCOOH"	102.956829
"914039"	243.012186	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M-H+CF3COOH"	112.985586
"1301687"	278.988864	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Cl+CF3COOH"	148.962264
"1375473"	95.013924	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H-2H2O"	-35.012676
"1396865"	113.0239	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H-H2O"	-17.0027
"297397"	261.060476	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+H"	1.007276
"690191"	391.087076	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+H"	1.007276
"1365802"	131.033876	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H"	1.007276
"139789"	131.033876	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+2H"	2.014552
"581170"	196.047176	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+2H"	2.014552
"1051425"	66.020576	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2H"	2.014552
"216411"	87.691676	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+3H"	3.021828
"655605"	131.033876	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+3H"	3.021828
"1174460"	44.349476	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+3H"	3.021828
"436638"	278.087023	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+NH4"	18.033823
"796175"	408.113623	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+NH4"	18.033823
"1696879"	148.060423	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+NH4"	18.033823
"344801"	139.5471495	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+H+NH4"	19.041099
"735035"	204.5604495	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+H+NH4"	19.041099
"1489949"	74.5338495	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H+NH4"	19.041099
"393929"	283.042418	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+Na"	22.989218
"756508"	413.069018	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+Na"	22.989218
"1603424"	153.015818	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Na"	22.989218
"315735"	142.024847	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+H+Na"	23.996494
"709614"	207.038147	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+H+Na"	23.996494
"1462216"	77.011547	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H+Na"	23.996494
"1054857"	51.67679	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2H+Na"	25.00377
"1260911"	163.060086	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+CH3OH+H"	33.033486
"378513"	299.016358	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+K"	38.963158
"743034"	429.042958	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+K"	38.963158
"1541197"	168.989758	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+K"	38.963158
"302989"	150.011817	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+H+K"	39.970434
"696140"	215.025117	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+H+K"	39.970434
"1451426"	84.998517	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H+K"	39.970434
"242215"	302.087026	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+ACN+H"	42.033826
"1217477"	172.060426	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+ACN+H"	42.033826
"1197346"	86.533851	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+ACN+2H"	43.041102
"195686"	305.02436	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+2Na-H"	44.97116
"638168"	435.05096	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+2Na-H"	44.97116
"1141672"	174.99776	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2Na-H"	44.97116
"182777"	153.015818	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+2Na"	45.978436
"622335"	218.029118	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+2Na"	45.978436
"1127666"	88.002518	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2Na"	45.978436
"1407180"	59.004104	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H+2Na"	46.985712
"1440754"	177.039346	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H+HCOOH"	47.012746
"225720"	158.04884	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+3H2O+2H"	56.04448
"1517063"	191.09139	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+H"	61.06479
"412374"	161.002788	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+Na+K"	61.952376
"771543"	226.016088	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+Na+K"	61.952376
"1670788"	95.989488	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Na+K"	61.952376
"254756"	324.068968	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+ACN+Na"	64.015768
"1227096"	194.042368	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+ACN+Na"	64.015768
"1715626"	194.065893	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+NH4+HCOOH"	64.039293
"1180246"	66.331418	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+3Na"	68.967654
"1653426"	199.021288	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Na+HCOOH"	68.994688
"162476"	336.97224	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+2K-H"	76.91904
"602763"	466.99884	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+2K-H"	76.91904
"1090557"	206.94564	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2K-H"	76.91904
"146277"	168.989758	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"2M+2K"	77.926316
"583285"	234.003058	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"3M+2K"	77.926316
"1071443"	103.976458	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2K"	77.926316
"1101735"	208.960192	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2K+H"	78.933592
"1336047"	209.047807	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+DMSO+H"	79.021207
"1013942"	213.086976	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2ACN+H"	83.060376
"1532071"	214.080608	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+IsoProp+Na+H"	84.054008
"993050"	107.047126	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+2ACN+2H"	84.067652
"1590835"	214.995228	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+K+HCOOH"	84.968628
"1420870"	245.026738	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+H+CF3COOH"	115.000138
"1156626"	127.560401	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+3ACN+2H"	125.094202
"1708364"	262.053285	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+NH4+CF3COOH"	132.026685
"1646201"	267.00868	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+Na+CF3COOH"	136.98208
"1580759"	282.98262	"C02226"	"2-Methylmaleate;Citraconate;Citraconic acid;Methylmaleic acid"	"C5H6O4"	"130.0266"	"M+K+CF3COOH"	152.95602
"815501"	143.0735	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M"	0
"982475"	124.05511	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-H2O-H"	-19.01839
"70716"	94.3750573333333	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M-3H"	-3.021828
"508090"	142.066224	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M-3H"	-3.021828
"889171"	46.6838906666667	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-3H"	-3.021828
"2278"	142.066224	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H"	-2.014552
"446214"	213.602974	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H"	-2.014552
"819640"	70.529474	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H"	-2.014552
"86196"	285.139724	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M-H"	-1.007276
"527941"	428.213224	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M-H"	-1.007276
"905745"	142.066224	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-H"	-1.007276
"60119"	302.166271	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H+NH4"	16.019271
"498587"	445.239771	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H+NH4"	16.019271
"865941"	159.092771	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H+NH4"	16.019271
"31692"	307.121666	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H+Na"	20.974666
"475835"	450.195166	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H+Na"	20.974666
"852180"	164.048166	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H+Na"	20.974666
"1626819"	164.048166	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na-2H"	20.974666
"98974"	160.054563	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M-H+Cl"	33.962126
"540721"	231.591313	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M-H+Cl"	33.962126
"929858"	88.517813	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+Cl"	33.962126
"270236"	321.116402	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Cl"	34.969402
"663388"	464.189902	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+Cl"	34.969402
"1275063"	178.042902	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl"	34.969402
"17619"	323.095606	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H+K"	36.948606
"456162"	466.169106	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H+K"	36.948606
"844101"	180.022106	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H+K"	36.948606
"1561029"	180.022106	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+K-2H"	36.948606
"946723"	188.071694	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+HCOOH"	44.998194
"362383"	331.145201	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+HCOOH-H"	44.998201
"360504"	345.160851	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Hac-H"	59.013851
"1506774"	202.087351	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Hac-H"	59.013851
"969573"	210.053651	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+NaCOOH"	66.980151
"117394"	178.042902	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2Cl"	69.938804
"560234"	249.579652	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2Cl"	69.938804
"1035837"	106.506152	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2Cl"	69.938804
"1244239"	221.992385	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Br"	78.918885
"1309967"	224.048372	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl+HCOOH"	80.974872
"1320901"	246.030329	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl+NaCOOH"	102.956829
"913418"	256.059086	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+CF3COOH"	112.985586
"1301069"	292.035764	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl+CF3COOH"	148.962264
"1377769"	108.060824	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H-2H2O"	-35.012676
"1396732"	126.0708	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H-H2O"	-17.0027
"296047"	287.154276	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H"	1.007276
"689202"	430.227776	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H"	1.007276
"1364818"	144.080776	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H"	1.007276
"138076"	144.080776	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2H"	2.014552
"579459"	215.617526	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2H"	2.014552
"1049348"	72.544026	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2H"	2.014552
"216158"	96.3896093333333	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+3H"	3.021828
"655715"	144.080776	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+3H"	3.021828
"1171654"	48.6984426666667	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+3H"	3.021828
"431644"	304.180823	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+NH4"	18.033823
"795918"	447.254323	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+NH4"	18.033823
"1696960"	161.107323	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+NH4"	18.033823
"344791"	152.5940495	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H+NH4"	19.041099
"735878"	224.1307995	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H+NH4"	19.041099
"1490061"	81.0572995	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+NH4"	19.041099
"394526"	309.136218	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Na"	22.989218
"756618"	452.209718	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+Na"	22.989218
"1603861"	166.062718	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na"	22.989218
"315845"	155.071747	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H+Na"	23.996494
"712639"	226.608497	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H+Na"	23.996494
"1463909"	83.534997	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+Na"	23.996494
"1056426"	56.0257566666667	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2H+Na"	25.00377
"1262843"	176.106986	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+CH3OH+H"	33.033486
"381418"	325.110158	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+K"	38.963158
"742416"	468.183658	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+K"	38.963158
"1543740"	182.036658	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+K"	38.963158
"303103"	163.058717	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H+K"	39.970434
"694795"	234.595467	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H+K"	39.970434
"1451901"	91.521967	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+K"	39.970434
"240868"	328.180826	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+ACN+H"	42.033826
"1215763"	185.107326	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+ACN+H"	42.033826
"1202564"	93.057301	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+ACN+2H"	43.041102
"194705"	331.11816	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2Na-H"	44.97116
"638278"	474.19166	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2Na-H"	44.97116
"1141784"	188.04466	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2Na-H"	44.97116
"182887"	166.062718	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2Na"	45.978436
"621354"	237.599468	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2Na"	45.978436
"1123768"	94.525968	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2Na"	45.978436
"1407290"	63.3530706666667	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+2Na"	46.985712
"1437218"	190.086246	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+HCOOH"	47.012746
"228015"	171.09574	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+3H2O+2H"	56.04448
"1517171"	204.13829	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+IsoProp+H"	61.06479
"411754"	174.049688	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Na+K"	61.952376
"770922"	245.586438	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+Na+K"	61.952376
"1668348"	102.512938	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na+K"	61.952376
"253773"	350.162768	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+ACN+Na"	64.015768
"1228304"	207.089268	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+ACN+Na"	64.015768
"1715737"	207.112793	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+NH4+HCOOH"	64.039293
"1179629"	70.6803846666667	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+3Na"	68.967654
"1656451"	212.068188	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na+HCOOH"	68.994688
"162222"	363.06604	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2K-H"	76.91904
"605060"	506.13954	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2K-H"	76.91904
"1092489"	219.99254	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2K-H"	76.91904
"143835"	182.036658	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2K"	77.926316
"582543"	253.573408	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2K"	77.926316
"1071553"	110.499908	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2K"	77.926316
"1101603"	222.007092	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2K+H"	78.933592
"1336278"	222.094707	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+DMSO+H"	79.021207
"1014052"	226.133876	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2ACN+H"	83.060376
"1531088"	227.127508	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+IsoProp+Na+H"	84.054008
"993160"	113.570576	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+2ACN+2H"	84.067652
"1594224"	228.042128	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+K+HCOOH"	84.968628
"1424262"	258.073638	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+CF3COOH"	115.000138
"1158923"	134.083851	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+3ACN+2H"	125.094202
"1708475"	275.100185	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+NH4+CF3COOH"	132.026685
"1646311"	280.05558	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na+CF3COOH"	136.98208
"1580869"	296.02952	"C02227"	"2-Naphthylamine;2-Naphthalenamine;2-Aminonaphthalene;beta-Naphthylamine"	"C10H9N"	"143.0735"	"M+K+CF3COOH"	152.95602
"815611"	165.0651	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M"	0
"986958"	146.04671	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-H2O-H"	-19.01839
"71920"	109.036124	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M-3H"	-3.021828
"511480"	164.057824	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M-3H"	-3.021828
"889281"	54.014424	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-3H"	-3.021828
"4575"	164.057824	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M-2H"	-2.014552
"445231"	246.590374	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M-2H"	-2.014552
"821938"	81.525274	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-2H"	-2.014552
"87400"	329.122924	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M-H"	-1.007276
"529145"	494.188024	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M-H"	-1.007276
"904760"	164.057824	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-H"	-1.007276
"59136"	346.149471	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M-2H+NH4"	16.019271
"498697"	511.214571	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M-2H+NH4"	16.019271
"868844"	181.084371	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-2H+NH4"	16.019271
"32368"	351.104866	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M-2H+Na"	20.974666
"477039"	516.169966	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M-2H+Na"	20.974666
"859581"	186.039766	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-2H+Na"	20.974666
"1619634"	186.039766	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Na-2H"	20.974666
"100178"	182.046163	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M-H+Cl"	33.962126
"543018"	264.578713	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M-H+Cl"	33.962126
"929241"	99.513613	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-H+Cl"	33.962126
"267959"	365.099602	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+Cl"	34.969402
"661312"	530.164702	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+Cl"	34.969402
"1274197"	200.034502	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Cl"	34.969402
"16637"	367.078806	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M-2H+K"	36.948606
"457284"	532.143906	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M-2H+K"	36.948606
"840931"	202.013706	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-2H+K"	36.948606
"1559315"	202.013706	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+K-2H"	36.948606
"943917"	210.063294	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-H+HCOOH"	44.998194
"361432"	375.128401	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+HCOOH-H"	44.998201
"360937"	389.144051	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+Hac-H"	59.013851
"1506520"	224.078951	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Hac-H"	59.013851
"968590"	232.045251	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-H+NaCOOH"	66.980151
"117504"	200.034502	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+2Cl"	69.938804
"559251"	282.567052	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+2Cl"	69.938804
"1035585"	117.501952	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2Cl"	69.938804
"1244349"	243.983985	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Br"	78.918885
"1310078"	246.039972	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Cl+HCOOH"	80.974872
"1324293"	268.021929	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Cl+NaCOOH"	102.956829
"912069"	278.050686	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M-H+CF3COOH"	112.985586
"1301543"	314.027364	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Cl+CF3COOH"	148.962264
"1378972"	130.052424	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H-2H2O"	-35.012676
"1392094"	148.0624	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H-H2O"	-17.0027
"295793"	331.137476	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+H"	1.007276
"688946"	496.202576	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+H"	1.007276
"1363832"	166.072376	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H"	1.007276
"138186"	166.072376	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+2H"	2.014552
"579569"	248.604926	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+2H"	2.014552
"1049458"	83.539826	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2H"	2.014552
"215904"	111.050676	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+3H"	3.021828
"655461"	166.072376	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+3H"	3.021828
"1171764"	56.028976	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+3H"	3.021828
"430661"	348.164023	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+NH4"	18.033823
"797122"	513.229123	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+NH4"	18.033823
"1696625"	183.098923	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+NH4"	18.033823
"344536"	174.5856495	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+H+NH4"	19.041099
"734162"	257.1181995	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+H+NH4"	19.041099
"1486890"	92.0530995	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H+NH4"	19.041099
"395729"	353.119418	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+Na"	22.989218
"757453"	518.184518	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+Na"	22.989218
"1604458"	188.054318	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Na"	22.989218
"318142"	177.063347	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+H+Na"	23.996494
"713842"	259.595897	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+H+Na"	23.996494
"1464384"	94.530797	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H+Na"	23.996494
"1055443"	63.35629	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2H+Na"	25.00377
"1261495"	198.098586	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+CH3OH+H"	33.033486
"382257"	369.093358	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+K"	38.963158
"746532"	534.158458	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+K"	38.963158
"1543119"	204.028258	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+K"	38.963158
"303576"	185.050317	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+H+K"	39.970434
"695997"	267.582867	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+H+K"	39.970434
"1449459"	102.517767	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H+K"	39.970434
"240614"	372.164026	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+ACN+H"	42.033826
"1214051"	207.098926	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+ACN+H"	42.033826
"1199394"	104.053101	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+ACN+2H"	43.041102
"194450"	375.10136	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+2Na-H"	44.97116
"637294"	540.16646	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+2Na-H"	44.97116
"1141165"	210.03626	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2Na-H"	44.97116
"176437"	188.054318	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+2Na"	45.978436
"615268"	270.586868	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+2Na"	45.978436
"1121690"	105.521768	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2Na"	45.978436
"1400352"	70.683604	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H+2Na"	46.985712
"1434048"	212.077846	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H+HCOOH"	47.012746
"224845"	193.08734	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+3H2O+2H"	56.04448
"1511449"	226.12989	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+IsoProp+H"	61.06479
"408694"	196.041288	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+Na+K"	61.952376
"770666"	278.573838	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+Na+K"	61.952376
"1667121"	113.508738	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Na+K"	61.952376
"252425"	394.145968	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+ACN+Na"	64.015768
"1228048"	229.080868	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+ACN+Na"	64.015768
"1716573"	229.104393	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+NH4+HCOOH"	64.039293
"1180833"	78.010918	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+3Na"	68.967654
"1651820"	234.059788	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Na+HCOOH"	68.994688
"159413"	407.04924	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+2K-H"	76.91904
"606263"	572.11434	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+2K-H"	76.91904
"1089682"	241.98414	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2K-H"	76.91904
"143945"	204.028258	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"2M+2K"	77.926316
"581676"	286.560808	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"3M+2K"	77.926316
"1069232"	121.495708	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2K"	77.926316
"1101713"	243.998692	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2K+H"	78.933592
"1335664"	244.086307	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+DMSO+H"	79.021207
"1014162"	248.125476	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2ACN+H"	83.060376
"1533384"	249.119108	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+IsoProp+Na+H"	84.054008
"993270"	124.566376	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+2ACN+2H"	84.067652
"1594334"	250.033728	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+K+HCOOH"	84.968628
"1419995"	280.065238	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+H+CF3COOH"	115.000138
"1157940"	145.079651	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+3ACN+2H"	125.094202
"1708585"	297.091785	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+NH4+CF3COOH"	132.026685
"1646421"	302.04718	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+Na+CF3COOH"	136.98208
"1580979"	318.02112	"C02230"	"3-Methylguanine;2-Amino-37-dihydro-3-methyl-6H-purin-6-one"	"C6H7N5O"	"165.0651"	"M+K+CF3COOH"	152.95602
"814627"	117.0062	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M"	0
"987067"	97.98781	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-H2O-H"	-19.01839
"76403"	76.9968573333333	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M-3H"	-3.021828
"514870"	115.998924	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M-3H"	-3.021828
"888298"	37.9947906666667	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-3H"	-3.021828
"6872"	115.998924	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M-2H"	-2.014552
"448620"	174.502024	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M-2H"	-2.014552
"825328"	57.495824	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-2H"	-2.014552
"89696"	233.005124	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M-H"	-1.007276
"529255"	350.011324	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M-H"	-1.007276
"905963"	115.998924	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-H"	-1.007276
"57059"	250.031671	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M-2H+NH4"	16.019271
"498806"	367.037871	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M-2H+NH4"	16.019271
"868227"	133.025471	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-2H+NH4"	16.019271
"32965"	254.987066	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M-2H+Na"	20.974666
"478971"	371.993266	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M-2H+Na"	20.974666
"858598"	137.980866	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-2H+Na"	20.974666
"1621933"	137.980866	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Na-2H"	20.974666
"96274"	133.987263	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M-H+Cl"	33.962126
"544222"	192.490363	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M-H+Cl"	33.962126
"932269"	75.484163	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-H+Cl"	33.962126
"270094"	268.981802	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+Cl"	34.969402
"663245"	385.988002	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+Cl"	34.969402
"1274191"	151.975602	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Cl"	34.969402
"18571"	270.961006	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M-2H+K"	36.948606
"457035"	387.967206	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M-2H+K"	36.948606
"841042"	153.954806	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-2H+K"	36.948606
"1559061"	153.954806	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+K-2H"	36.948606
"945849"	162.004394	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-H+HCOOH"	44.998194
"361710"	279.010601	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+HCOOH-H"	44.998201
"361265"	293.026251	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+Hac-H"	59.013851
"1507359"	176.020051	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Hac-H"	59.013851
"970886"	183.986351	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-H+NaCOOH"	66.980151
"118707"	151.975602	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+2Cl"	69.938804
"560454"	210.478702	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+2Cl"	69.938804
"1034720"	93.472502	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2Cl"	69.938804
"1244459"	195.925085	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Br"	78.918885
"1310188"	197.981072	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Cl+HCOOH"	80.974872
"1325496"	219.963029	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Cl+NaCOOH"	102.956829
"912543"	229.991786	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M-H+CF3COOH"	112.985586
"1301653"	265.968464	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Cl+CF3COOH"	148.962264
"1378718"	81.993524	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H-2H2O"	-35.012676
"1392204"	100.0035	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H-H2O"	-17.0027
"295903"	235.019676	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+H"	1.007276
"689784"	352.025876	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+H"	1.007276
"1363942"	118.013476	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H"	1.007276
"137929"	118.013476	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+2H"	2.014552
"577855"	176.516576	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+2H"	2.014552
"1045193"	59.510376	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2H"	2.014552
"212000"	79.0114093333333	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+3H"	3.021828
"650466"	118.013476	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+3H"	3.021828
"1168592"	40.0093426666667	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+3H"	3.021828
"435144"	252.046223	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+NH4"	18.033823
"799419"	369.052423	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+NH4"	18.033823
"1694548"	135.040023	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+NH4"	18.033823
"343307"	126.5267495	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+H+NH4"	19.041099
"735002"	185.0298495	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+H+NH4"	19.041099
"1487000"	68.0236495	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H+NH4"	19.041099
"399119"	257.001618	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+Na"	22.989218
"762303"	374.007818	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+Na"	22.989218
"1606027"	139.995418	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Na"	22.989218
"318251"	129.004447	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+H+Na"	23.996494
"711765"	187.507547	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+H+Na"	23.996494
"1463764"	70.501347	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H+Na"	23.996494
"1057740"	47.3366566666667	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2H+Na"	25.00377
"1263791"	150.039686	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+CH3OH+H"	33.033486
"381276"	272.975558	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+K"	38.963158
"743363"	389.981758	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+K"	38.963158
"1544322"	155.969358	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+K"	38.963158
"302957"	136.991417	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+H+K"	39.970434
"695013"	195.494517	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+H+K"	39.970434
"1448474"	78.488317	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H+K"	39.970434
"239992"	276.046226	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+ACN+H"	42.033826
"1211240"	159.040026	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+ACN+H"	42.033826
"1202785"	80.023651	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+ACN+2H"	43.041102
"191280"	278.98356	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+2Na-H"	44.97116
"640685"	395.98976	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+2Na-H"	44.97116
"1140911"	161.97736	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2Na-H"	44.97116
"180921"	139.995418	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+2Na"	45.978436
"621574"	198.498518	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+2Na"	45.978436
"1123987"	81.492318	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2Na"	45.978436
"1402043"	54.6639706666667	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H+2Na"	46.985712
"1437438"	164.018946	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H+HCOOH"	47.012746
"224955"	145.02844	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+3H2O+2H"	56.04448
"1513018"	178.07099	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+IsoProp+H"	61.06479
"408657"	147.982388	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+Na+K"	61.952376
"770088"	206.485488	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+Na+K"	61.952376
"1666746"	89.479288	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Na+K"	61.952376
"253995"	298.028168	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+ACN+Na"	64.015768
"1229983"	181.021968	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+ACN+Na"	64.015768
"1716683"	181.045493	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+NH4+HCOOH"	64.039293
"1180943"	61.9912846666667	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+3Na"	68.967654
"1653391"	186.000888	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Na+HCOOH"	68.994688
"161344"	310.93144	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+2K-H"	76.91904
"600175"	427.93764	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+2K-H"	76.91904
"1087605"	193.92524	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2K-H"	76.91904
"142837"	155.969358	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"2M+2K"	77.926316
"581790"	214.472458	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"3M+2K"	77.926316
"1069707"	97.466258	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2K"	77.926316
"1107170"	195.939792	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2K+H"	78.933592
"1339179"	196.027407	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+DMSO+H"	79.021207
"1014272"	200.066576	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2ACN+H"	83.060376
"1535680"	201.060208	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+IsoProp+Na+H"	84.054008
"994473"	100.536926	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+2ACN+2H"	84.067652
"1593351"	201.974828	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+K+HCOOH"	84.968628
"1421198"	232.006338	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+H+CF3COOH"	115.000138
"1154770"	121.050201	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+3ACN+2H"	125.094202
"1711246"	249.032885	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+NH4+CF3COOH"	132.026685
"1643251"	253.98828	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+Na+CF3COOH"	136.98208
"1581089"	269.96222	"C02231"	"3-Nitroacrylate"	"C3H3NO4"	"117.0062"	"M+K+CF3COOH"	152.95602
"813644"	909.1418	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M"	0
"982804"	890.12341	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-H2O-H"	-19.01839
"72141"	605.087257333333	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M-3H"	-3.021828
"510607"	908.134524	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M-3H"	-3.021828
"885128"	302.039990666667	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-3H"	-3.021828
"3702"	908.134524	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M-2H"	-2.014552
"443262"	1362.705424	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M-2H"	-2.014552
"822157"	453.563624	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-2H"	-2.014552
"87619"	1817.276324	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M-H"	-1.007276
"529365"	2726.418124	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M-H"	-1.007276
"906074"	908.134524	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-H"	-1.007276
"57169"	1834.302871	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M-2H+NH4"	16.019271
"498916"	2743.444671	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M-2H+NH4"	16.019271
"872344"	925.161071	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-2H+NH4"	16.019271
"33074"	1839.258266	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M-2H+Na"	20.974666
"477258"	2748.400066	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M-2H+Na"	20.974666
"853605"	930.116466	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-2H+Na"	20.974666
"1620949"	930.116466	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Na-2H"	20.974666
"95290"	926.122863	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M-H+Cl"	33.962126
"536673"	1380.693763	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M-H+Cl"	33.962126
"931279"	471.551963	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-H+Cl"	33.962126
"269476"	1853.253002	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+Cl"	34.969402
"661168"	2762.394802	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+Cl"	34.969402
"1275758"	944.111202	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Cl"	34.969402
"17219"	1855.232206	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M-2H+K"	36.948606
"457507"	2764.374006	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M-2H+K"	36.948606
"837872"	946.090406	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-2H+K"	36.948606
"1562453"	946.090406	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+K-2H"	36.948606
"945960"	954.139994	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-H+HCOOH"	44.998194
"368550"	1863.281801	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+HCOOH-H"	44.998201
"360956"	1877.297451	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+Hac-H"	59.013851
"1507957"	968.155651	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Hac-H"	59.013851
"974047"	976.121951	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-H+NaCOOH"	66.980151
"123192"	944.111202	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+2Cl"	69.938804
"563846"	1398.682102	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+2Cl"	69.938804
"1026084"	489.540302	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2Cl"	69.938804
"1250036"	988.060685	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Br"	78.918885
"1310298"	990.116672	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Cl+HCOOH"	80.974872
"1327793"	1012.098629	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Cl+NaCOOH"	102.956829
"913018"	1022.127386	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M-H+CF3COOH"	112.985586
"1299575"	1058.104064	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Cl+CF3COOH"	148.962264
"1375913"	874.129124	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H-2H2O"	-35.012676
"1390128"	892.1391	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H-H2O"	-17.0027
"296013"	1819.290876	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+H"	1.007276
"689530"	2728.432676	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+H"	1.007276
"1364052"	910.149076	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H"	1.007276
"138038"	910.149076	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+2H"	2.014552
"579057"	1364.719976	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+2H"	2.014552
"1044210"	455.578176	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2H"	2.014552
"209923"	607.101809333333	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+3H"	3.021828
"653856"	910.149076	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+3H"	3.021828
"1169796"	304.054542666667	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+3H"	3.021828
"433066"	1836.317423	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+NH4"	18.033823
"799529"	2745.459223	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+NH4"	18.033823
"1695143"	927.175623	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+NH4"	18.033823
"342688"	918.6623495	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+H+NH4"	19.041099
"734017"	1373.2332495	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+H+NH4"	19.041099
"1483828"	464.0914495	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H+NH4"	19.041099
"395220"	1841.272818	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+Na"	22.989218
"762412"	2750.414618	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+Na"	22.989218
"1607595"	932.131018	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Na"	22.989218
"321642"	921.140047	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+H+Na"	23.996494
"710782"	1375.710947	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+H+Na"	23.996494
"1466791"	466.569147	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H+Na"	23.996494
"1057852"	311.381856666667	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2H+Na"	25.00377
"1263904"	942.175286	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+CH3OH+H"	33.033486
"379926"	1857.246758	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+K"	38.963158
"745660"	2766.388558	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+K"	38.963158
"1546619"	948.104958	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+K"	38.963158
"304890"	929.127017	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+H+K"	39.970434
"694030"	1383.697917	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+H+K"	39.970434
"1446762"	474.556117	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H+K"	39.970434
"241924"	1860.317426	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+ACN+H"	42.033826
"1210986"	951.175626	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+ACN+H"	42.033826
"1201801"	476.091451	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+ACN+2H"	43.041102
"191755"	1863.25476	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+2Na-H"	44.97116
"639701"	2772.39656	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+2Na-H"	44.97116
"1139928"	954.11296	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2Na-H"	44.97116
"179937"	932.131018	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+2Na"	45.978436
"618404"	1386.701918	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+2Na"	45.978436
"1121910"	477.560118	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2Na"	45.978436
"1404339"	318.709170666667	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H+2Na"	46.985712
"1435362"	956.154546	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H+HCOOH"	47.012746
"227253"	937.16404	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+3H2O+2H"	56.04448
"1517502"	970.20659	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+IsoProp+H"	61.06479
"409287"	940.117988	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+Na+K"	61.952376
"770770"	1394.688888	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+Na+K"	61.952376
"1667221"	485.547088	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Na+K"	61.952376
"253376"	1882.299368	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+ACN+Na"	64.015768
"1229365"	973.157568	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+ACN+Na"	64.015768
"1716064"	973.181093	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+NH4+HCOOH"	64.039293
"1179271"	326.036484666667	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+3Na"	68.967654
"1652407"	978.136488	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Na+HCOOH"	68.994688
"158171"	1895.20264	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+2K-H"	76.91904
"597156"	2804.34444	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+2K-H"	76.91904
"1085890"	986.06084	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2K-H"	76.91904
"141650"	948.104958	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"2M+2K"	77.926316
"581489"	1402.675858	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"3M+2K"	77.926316
"1068631"	493.534058	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2K"	77.926316
"1100594"	988.075392	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2K+H"	78.933592
"1338194"	988.163007	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+DMSO+H"	79.021207
"1014382"	992.202176	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2ACN+H"	83.060376
"1534697"	993.195808	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+IsoProp+Na+H"	84.054008
"995676"	496.604726	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+2ACN+2H"	84.067652
"1595647"	994.110428	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+K+HCOOH"	84.968628
"1421308"	1024.141938	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+H+CF3COOH"	115.000138
"1150498"	517.118001	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+3ACN+2H"	125.094202
"1710627"	1041.168485	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+NH4+CF3COOH"	132.026685
"1643361"	1046.12388	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+Na+CF3COOH"	136.98208
"1581199"	1062.09782	"C02232"	"3-Oxoadipyl-CoA;beta-Ketoadipyl-CoA"	"C27H42N7O20P3S"	"909.1418"	"M+K+CF3COOH"	152.95602
"812661"	116.0473	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M"	0
"982914"	97.02891	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-H2O-H"	-19.01839
"67874"	76.3575906666667	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M-3H"	-3.021828
"509624"	115.040024	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M-3H"	-3.021828
"886331"	37.6751573333333	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-3H"	-3.021828
"2718"	115.040024	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M-2H"	-2.014552
"443372"	173.063674	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M-2H"	-2.014552
"822267"	57.016374	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-2H"	-2.014552
"86635"	231.087324	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M-H"	-1.007276
"525101"	347.134624	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M-H"	-1.007276
"907277"	115.040024	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-H"	-1.007276
"57278"	248.113871	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M-2H+NH4"	16.019271
"496838"	364.161171	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M-2H+NH4"	16.019271
"871361"	132.066571	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-2H+NH4"	16.019271
"35618"	253.069266	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M-2H+Na"	20.974666
"482109"	369.116566	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M-2H+Na"	20.974666
"855535"	137.021966	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-2H+Na"	20.974666
"1622515"	137.021966	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Na-2H"	20.974666
"99410"	133.028363	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M-H+Cl"	33.962126
"540426"	191.052013	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M-H+Cl"	33.962126
"932483"	75.004713	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-H+Cl"	33.962126
"269949"	267.064002	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+Cl"	34.969402
"662734"	383.111302	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+Cl"	34.969402
"1274406"	151.016702	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Cl"	34.969402
"17694"	269.043206	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M-2H+K"	36.948606
"457983"	385.090506	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M-2H+K"	36.948606
"842354"	152.995906	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-2H+K"	36.948606
"1563654"	152.995906	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+K-2H"	36.948606
"943395"	161.045494	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-H+HCOOH"	44.998194
"368660"	277.092801	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+HCOOH-H"	44.998201
"354732"	291.108451	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+Hac-H"	59.013851
"1507579"	175.061151	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Hac-H"	59.013851
"968919"	183.027451	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-H+NaCOOH"	66.980151
"121116"	151.016702	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+2Cl"	69.938804
"560676"	209.040352	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+2Cl"	69.938804
"1030569"	92.993052	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2Cl"	69.938804
"1245773"	194.966185	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Br"	78.918885
"1309314"	197.022172	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Cl+HCOOH"	80.974872
"1326810"	219.004129	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Cl+NaCOOH"	102.956829
"915681"	229.032886	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M-H+CF3COOH"	112.985586
"1297860"	265.009564	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Cl+CF3COOH"	148.962264
"1380761"	81.034624	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H-2H2O"	-35.012676
"1395340"	99.0446	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H-H2O"	-17.0027
"294300"	233.101876	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+H"	1.007276
"688909"	349.149176	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+H"	1.007276
"1362709"	117.054576	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H"	1.007276
"132682"	117.054576	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+2H"	2.014552
"572242"	175.078226	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+2H"	2.014552
"1044320"	59.030926	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2H"	2.014552
"213314"	78.3721426666667	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+3H"	3.021828
"655792"	117.054576	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+3H"	3.021828
"1169907"	39.6897093333333	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+3H"	3.021828
"432087"	250.128423	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+NH4"	18.033823
"794176"	366.175723	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+NH4"	18.033823
"1692696"	134.081123	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+NH4"	18.033823
"342068"	125.5678495	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+H+NH4"	19.041099
"733397"	183.5914995	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+H+NH4"	19.041099
"1485032"	67.5441995	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H+NH4"	19.041099
"397516"	255.083818	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+Na"	22.989218
"755233"	371.131118	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+Na"	22.989218
"1608435"	139.036518	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Na"	22.989218
"322846"	128.045547	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+H+Na"	23.996494
"710895"	186.069197	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+H+Na"	23.996494
"1466902"	70.021897	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H+Na"	23.996494
"1056869"	47.0170233333333	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2H+Na"	25.00377
"1262922"	149.080786	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+CH3OH+H"	33.033486
"380402"	271.057758	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+K"	38.963158
"743584"	387.105058	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+K"	38.963158
"1543086"	155.010458	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+K"	38.963158
"302812"	136.032517	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+H+K"	39.970434
"693775"	194.056167	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+H+K"	39.970434
"1450153"	78.008867	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H+K"	39.970434
"237295"	274.128426	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+ACN+H"	42.033826
"1212188"	158.081126	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+ACN+H"	42.033826
"1203002"	79.544201	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+ACN+2H"	43.041102
"194780"	277.06576	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+2Na-H"	44.97116
"641634"	393.11306	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+2Na-H"	44.97116
"1144776"	161.01846	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2Na-H"	44.97116
"183327"	139.036518	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+2Na"	45.978436
"623982"	197.060168	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+2Na"	45.978436
"1119833"	81.012868	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2Na"	45.978436
"1409916"	54.3443373333333	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H+2Na"	46.985712
"1435472"	163.060046	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H+HCOOH"	47.012746
"228458"	144.06954	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+3H2O+2H"	56.04448
"1517611"	177.11209	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+IsoProp+H"	61.06479
"411830"	147.023488	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+Na+K"	61.952376
"771002"	205.047138	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+Na+K"	61.952376
"1669153"	88.999838	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Na+K"	61.952376
"255673"	296.110368	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+ACN+Na"	64.015768
"1228381"	180.063068	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+ACN+Na"	64.015768
"1716174"	180.086593	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+NH4+HCOOH"	64.039293
"1179705"	61.6716513333333	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+3Na"	68.967654
"1654703"	185.041988	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Na+HCOOH"	68.994688
"158645"	309.01364	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+2K-H"	76.91904
"597637"	425.06094	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+2K-H"	76.91904
"1087822"	192.96634	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2K-H"	76.91904
"142451"	155.010458	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"2M+2K"	77.926316
"581641"	213.034108	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"3M+2K"	77.926316
"1069429"	96.986808	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2K"	77.926316
"1103015"	194.980892	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2K+H"	78.933592
"1337210"	195.068507	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+DMSO+H"	79.021207
"1014492"	199.107676	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2ACN+H"	83.060376
"1535901"	200.101308	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+IsoProp+Na+H"	84.054008
"995786"	100.057476	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+2ACN+2H"	84.067652
"1594664"	201.015928	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+K+HCOOH"	84.968628
"1421418"	231.047438	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+H+CF3COOH"	115.000138
"1151701"	120.570751	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+3ACN+2H"	125.094202
"1710008"	248.073985	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+NH4+CF3COOH"	132.026685
"1643471"	253.02938	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+Na+CF3COOH"	136.98208
"1581309"	269.00332	"C02233"	"3-Oxopentanoic acid;3-Oxopentanoate"	"C5H8O3"	"116.0473"	"M+K+CF3COOH"	152.95602
"808395"	104.0374	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M"	0
"985209"	85.01901	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H2O-H"	-19.01839
"65797"	68.3509906666667	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-3H"	-3.021828
"505719"	103.030124	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-3H"	-3.021828
"883158"	33.6718573333333	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-3H"	-3.021828
"2461"	103.030124	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H"	-2.014552
"444210"	155.048824	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H"	-2.014552
"821648"	51.011424	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H"	-2.014552
"88932"	207.067524	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-H"	-1.007276
"528491"	311.104924	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-H"	-1.007276
"904107"	103.030124	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H"	-1.007276
"57389"	224.094071	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H+NH4"	16.019271
"500228"	328.131471	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H+NH4"	16.019271
"873659"	120.056671	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H+NH4"	16.019271
"33906"	229.049466	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H+Na"	20.974666
"480032"	333.086866	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H+Na"	20.974666
"851271"	125.012066	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H+Na"	20.974666
"1619952"	125.012066	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na-2H"	20.974666
"95995"	121.018463	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-H+Cl"	33.962126
"538349"	173.037163	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-H+Cl"	33.962126
"929678"	68.999763	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+Cl"	33.962126
"268965"	243.044202	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Cl"	34.969402
"661750"	347.081602	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+Cl"	34.969402
"1275248"	139.006802	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl"	34.969402
"17441"	245.023406	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M-2H+K"	36.948606
"456999"	349.060806	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M-2H+K"	36.948606
"844650"	140.986006	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-2H+K"	36.948606
"1563764"	140.986006	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K-2H"	36.948606
"943990"	149.035594	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+HCOOH"	44.998194
"368770"	253.073001	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+HCOOH-H"	44.998201
"357028"	267.088651	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Hac-H"	59.013851
"1508285"	163.051251	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Hac-H"	59.013851
"970122"	171.017551	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+NaCOOH"	66.980151
"125672"	139.006802	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2Cl"	69.938804
"557504"	191.025502	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2Cl"	69.938804
"1028491"	86.988102	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2Cl"	69.938804
"1245882"	182.956285	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Br"	78.918885
"1308330"	185.012272	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl+HCOOH"	80.974872
"1324734"	206.994229	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl+NaCOOH"	102.956829
"913968"	217.022986	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M-H+CF3COOH"	112.985586
"1295783"	252.999664	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Cl+CF3COOH"	148.962264
"1376132"	69.024724	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H-2H2O"	-35.012676
"1395814"	87.0347	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H-H2O"	-17.0027
"292223"	209.082076	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H"	1.007276
"687924"	313.119476	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H"	1.007276
"1362088"	105.044676	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H"	1.007276
"133884"	105.044676	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2H"	2.014552
"574539"	157.063376	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2H"	2.014552
"1043336"	53.025976	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2H"	2.014552
"212330"	70.3655426666667	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+3H"	3.021828
"656266"	105.044676	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+3H"	3.021828
"1170016"	35.6864093333333	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+3H"	3.021828
"433290"	226.108623	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+NH4"	18.033823
"794286"	330.146023	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+NH4"	18.033823
"1689526"	122.071223	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+NH4"	18.033823
"341085"	113.5579495	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H+NH4"	19.041099
"730227"	165.5766495	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H+NH4"	19.041099
"1485142"	61.5392495	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+NH4"	19.041099
"397261"	231.064018	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Na"	22.989218
"756437"	335.101418	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+Na"	22.989218
"1608546"	127.026618	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na"	22.989218
"318581"	116.035647	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H+Na"	23.996494
"708691"	168.054347	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H+Na"	23.996494
"1468106"	64.016947	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+Na"	23.996494
"1055886"	43.0137233333333	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2H+Na"	25.00377
"1261939"	137.070886	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+CH3OH+H"	33.033486
"382701"	247.037958	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+K"	38.963158
"742602"	351.075358	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+K"	38.963158
"1545748"	143.000558	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K"	38.963158
"306204"	124.022617	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+H+K"	39.970434
"696441"	176.041317	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+H+K"	39.970434
"1450263"	72.003917	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+K"	39.970434
"242145"	250.108626	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+ACN+H"	42.033826
"1214853"	146.071226	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+ACN+H"	42.033826
"1198737"	73.539251	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+ACN+2H"	43.041102
"193065"	253.04596	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2Na-H"	44.97116
"642109"	357.08336	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2Na-H"	44.97116
"1142333"	149.00856	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2Na-H"	44.97116
"185623"	127.026618	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2Na"	45.978436
"625186"	179.045318	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2Na"	45.978436
"1122130"	75.007918	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2Na"	45.978436
"1402373"	50.3410373333333	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+2Na"	46.985712
"1439954"	151.050146	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+HCOOH"	47.012746
"229661"	132.05964	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+3H2O+2H"	56.04448
"1517721"	165.10219	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+IsoProp+H"	61.06479
"411940"	135.013588	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+Na+K"	61.952376
"771842"	187.032288	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+Na+K"	61.952376
"1668172"	82.994888	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na+K"	61.952376
"256876"	272.090568	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+ACN+Na"	64.015768
"1226302"	168.053168	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+ACN+Na"	64.015768
"1715190"	168.076693	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+NH4+HCOOH"	64.039293
"1180544"	57.6683513333333	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+3Na"	68.967654
"1655906"	173.032088	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na+HCOOH"	68.994688
"158391"	284.99384	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2K-H"	76.91904
"597699"	389.03124	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2K-H"	76.91904
"1086838"	180.95644	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2K-H"	76.91904
"142560"	143.000558	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"2M+2K"	77.926316
"582358"	195.019258	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"3M+2K"	77.926316
"1068929"	90.981858	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2K"	77.926316
"1104218"	182.970992	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2K+H"	78.933592
"1337926"	183.058607	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+DMSO+H"	79.021207
"1014602"	187.097776	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2ACN+H"	83.060376
"1539169"	188.091408	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+IsoProp+Na+H"	84.054008
"1001364"	94.052526	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+2ACN+2H"	84.067652
"1593680"	189.006028	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K+HCOOH"	84.968628
"1421528"	219.037538	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+H+CF3COOH"	115.000138
"1150718"	114.565801	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+3ACN+2H"	125.094202
"1709024"	236.064085	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+NH4+CF3COOH"	132.026685
"1643581"	241.01948	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+Na+CF3COOH"	136.98208
"1581419"	256.99342	"C02234"	"4-Cyanopyridine"	"C6H4N2"	"104.0374"	"M+K+CF3COOH"	152.95602
"808505"	155.0219	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M"	0
"982039"	136.00351	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-H2O-H"	-19.01839
"63719"	102.340657333333	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M-3H"	-3.021828
"504371"	154.014624	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M-3H"	-3.021828
"881081"	50.6666906666667	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-3H"	-3.021828
"1112"	154.014624	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M-2H"	-2.014552
"443592"	231.525574	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M-2H"	-2.014552
"821395"	76.503674	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-2H"	-2.014552
"92323"	309.036524	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M-H"	-1.007276
"532492"	464.058424	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M-H"	-1.007276
"907499"	154.014624	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-H"	-1.007276
"57500"	326.063071	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M-2H+NH4"	16.019271
"498152"	481.084971	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M-2H+NH4"	16.019271
"877049"	171.041171	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-2H+NH4"	16.019271
"32923"	331.018466	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M-2H+Na"	20.974666
"480142"	486.040366	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M-2H+Na"	20.974666
"850288"	175.996566	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-2H+Na"	20.974666
"1619130"	175.996566	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Na-2H"	20.974666
"94769"	172.002963	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M-H+Cl"	33.962126
"536272"	249.513913	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M-H+Cl"	33.962126
"931612"	94.492013	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-H+Cl"	33.962126
"267160"	345.013202	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+Cl"	34.969402
"660130"	500.035102	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+Cl"	34.969402
"1273292"	189.991302	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Cl"	34.969402
"16819"	346.992406	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M-2H+K"	36.948606
"456863"	502.014306	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M-2H+K"	36.948606
"834176"	191.970506	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-2H+K"	36.948606
"1556337"	191.970506	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+K-2H"	36.948606
"942811"	200.020094	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-H+HCOOH"	44.998194
"361585"	355.042001	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+HCOOH-H"	44.998201
"349483"	369.057651	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+Hac-H"	59.013851
"1506704"	214.035751	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Hac-H"	59.013851
"969138"	222.002051	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-H+NaCOOH"	66.980151
"125552"	189.991302	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+2Cl"	69.938804
"565519"	267.502252	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+2Cl"	69.938804
"1032975"	112.480352	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2Cl"	69.938804
"1249274"	233.940785	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Br"	78.918885
"1309534"	235.996772	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Cl+HCOOH"	80.974872
"1327031"	257.978729	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Cl+NaCOOH"	102.956829
"913714"	268.007486	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M-H+CF3COOH"	112.985586
"1299903"	303.984164	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Cl+CF3COOH"	148.962264
"1379158"	120.009224	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H-2H2O"	-35.012676
"1395196"	138.0192	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H-H2O"	-17.0027
"294888"	311.051076	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+H"	1.007276
"688763"	466.072976	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+H"	1.007276
"1360011"	156.029176	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H"	1.007276
"138369"	156.029176	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+2H"	2.014552
"573555"	233.540126	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+2H"	2.014552
"1042352"	78.518226	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2H"	2.014552
"210252"	104.355209333333	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+3H"	3.021828
"656376"	156.029176	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+3H"	3.021828
"1171219"	52.6812426666667	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+3H"	3.021828
"432306"	328.077623	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+NH4"	18.033823
"793303"	483.099523	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+NH4"	18.033823
"1686355"	173.055723	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+NH4"	18.033823
"341560"	164.5424495	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+H+NH4"	19.041099
"733256"	242.0533995	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+H+NH4"	19.041099
"1485252"	87.0314995	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H+NH4"	19.041099
"394457"	333.033018	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+Na"	22.989218
"758370"	488.054918	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+Na"	22.989218
"1606831"	178.011118	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Na"	22.989218
"318691"	167.020147	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+H+Na"	23.996494
"709289"	244.531097	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+H+Na"	23.996494
"1464204"	89.509197	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H+Na"	23.996494
"1057086"	60.0085566666667	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2H+Na"	25.00377
"1260956"	188.055386	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+CH3OH+H"	33.033486
"381719"	349.006958	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+K"	38.963158
"741983"	504.028858	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+K"	38.963158
"1545859"	193.985058	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+K"	38.963158
"306315"	175.007117	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+H+K"	39.970434
"697645"	252.518067	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+H+K"	39.970434
"1450373"	97.496167	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H+K"	39.970434
"240069"	352.077626	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+ACN+H"	42.033826
"1212777"	197.055726	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+ACN+H"	42.033826
"1197754"	99.031501	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+ACN+2H"	43.041102
"192082"	355.01496	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+2Na-H"	44.97116
"642584"	510.03686	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+2Na-H"	44.97116
"1144996"	199.99306	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2Na-H"	44.97116
"184641"	178.011118	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+2Na"	45.978436
"625296"	255.522068	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+2Na"	45.978436
"1123334"	100.500168	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2Na"	45.978436
"1407950"	67.3358706666667	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H+2Na"	46.985712
"1440064"	202.034646	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H+HCOOH"	47.012746
"230863"	183.04414	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+3H2O+2H"	56.04448
"1517831"	216.08669	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+IsoProp+H"	61.06479
"415330"	185.998088	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+Na+K"	61.952376
"776324"	263.509038	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+Na+K"	61.952376
"1672654"	108.487138	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Na+K"	61.952376
"259173"	374.059568	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+ACN+Na"	64.015768
"1226533"	219.037668	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+ACN+Na"	64.015768
"1718581"	219.061193	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+NH4+HCOOH"	64.039293
"1181018"	74.6631846666667	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+3Na"	68.967654
"1655286"	224.016588	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Na+HCOOH"	68.994688
"157562"	386.96284	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+2K-H"	76.91904
"597363"	541.98474	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+2K-H"	76.91904
"1086948"	231.94094	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2K-H"	76.91904
"142424"	193.985058	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"2M+2K"	77.926316
"582467"	271.496008	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"3M+2K"	77.926316
"1068838"	116.474108	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2K"	77.926316
"1102505"	233.955492	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2K+H"	78.933592
"1338523"	234.043107	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+DMSO+H"	79.021207
"1009243"	238.082276	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2ACN+H"	83.060376
"1539037"	239.075908	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+IsoProp+Na+H"	84.054008
"1001474"	119.544776	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+2ACN+2H"	84.067652
"1593790"	239.990528	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+K+HCOOH"	84.968628
"1421638"	270.022038	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+H+CF3COOH"	115.000138
"1150828"	140.058051	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+3ACN+2H"	125.094202
"1708040"	287.048585	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+NH4+CF3COOH"	132.026685
"1643691"	292.00398	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+Na+CF3COOH"	136.98208
"1581529"	307.97792	"C02235"	"4-Nitrocatechol"	"C6H5NO4"	"155.0219"	"M+K+CF3COOH"	152.95602
"808615"	201.9936	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M"	0
"982149"	182.97521	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-H2O-H"	-19.01839
"64193"	133.655124	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M-3H"	-3.021828
"504846"	200.986324	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M-3H"	-3.021828
"882648"	66.323924	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-3H"	-3.021828
"4139"	200.986324	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M-2H"	-2.014552
"442972"	301.983124	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M-2H"	-2.014552
"822598"	99.989524	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-2H"	-2.014552
"88059"	402.979924	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M-H"	-1.007276
"529806"	604.973524	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M-H"	-1.007276
"903599"	200.986324	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-H"	-1.007276
"59676"	420.006471	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M-2H+NH4"	16.019271
"498262"	622.000071	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M-2H+NH4"	16.019271
"876917"	218.012871	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-2H+NH4"	16.019271
"32669"	424.961866	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M-2H+Na"	20.974666
"480253"	626.955466	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M-2H+Na"	20.974666
"850762"	222.968266	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-2H+Na"	20.974666
"1619930"	222.968266	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Na-2H"	20.974666
"95367"	218.974663	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M-H+Cl"	33.962126
"535652"	319.971463	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M-H+Cl"	33.962126
"935002"	117.977863	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-H+Cl"	33.962126
"268697"	438.956602	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+Cl"	34.969402
"661484"	640.950202	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+Cl"	34.969402
"1274130"	236.963002	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Cl"	34.969402
"18384"	440.935806	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M-2H+K"	36.948606
"458674"	642.929406	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M-2H+K"	36.948606
"833565"	238.942206	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-2H+K"	36.948606
"1561794"	238.942206	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+K-2H"	36.948606
"944209"	246.991794	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-H+HCOOH"	44.998194
"363519"	448.985401	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+HCOOH-H"	44.998201
"348500"	463.001051	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+Hac-H"	59.013851
"1501706"	261.007451	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Hac-H"	59.013851
"968155"	268.973751	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-H+NaCOOH"	66.980151
"124481"	236.963002	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+2Cl"	69.938804
"565504"	337.959802	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+2Cl"	69.938804
"1033085"	135.966202	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2Cl"	69.938804
"1248291"	280.912485	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Br"	78.918885
"1312927"	282.968472	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Cl+HCOOH"	80.974872
"1326048"	304.950429	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Cl+NaCOOH"	102.956829
"919292"	314.979186	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M-H+CF3COOH"	112.985586
"1300013"	350.955864	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Cl+CF3COOH"	148.962264
"1379268"	166.980924	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H-2H2O"	-35.012676
"1396038"	184.9909	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H-H2O"	-17.0027
"293535"	404.994476	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+H"	1.007276
"688514"	606.988076	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+H"	1.007276
"1356843"	203.000876	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H"	1.007276
"135197"	203.000876	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+2H"	2.014552
"573663"	303.997676	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+2H"	2.014552
"1043556"	102.004076	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2H"	2.014552
"207082"	135.669676	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+3H"	3.021828
"656486"	203.000876	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+3H"	3.021828
"1168050"	68.338476	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+3H"	3.021828
"429137"	422.021023	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+NH4"	18.033823
"793413"	624.014623	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+NH4"	18.033823
"1687558"	220.027423	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+NH4"	18.033823
"339118"	211.5141495	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+H+NH4"	19.041099
"735553"	312.5109495	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+H+NH4"	19.041099
"1485362"	110.5173495	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H+NH4"	19.041099
"395298"	426.976418	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+Na"	22.989218
"759573"	628.970018	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+Na"	22.989218
"1606577"	224.982818	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Na"	22.989218
"318801"	213.991847	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+H+Na"	23.996494
"707941"	314.988647	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+H+Na"	23.996494
"1463949"	112.995047	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H+Na"	23.996494
"1056467"	75.66579	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2H+Na"	25.00377
"1263253"	235.027086	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+CH3OH+H"	33.033486
"381829"	442.950358	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+K"	38.963158
"742822"	644.943958	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+K"	38.963158
"1543783"	240.956758	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+K"	38.963158
"301320"	221.978817	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+H+K"	39.970434
"694835"	322.975617	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+H+K"	39.970434
"1447201"	120.982017	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H+K"	39.970434
"237624"	446.021026	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+ACN+H"	42.033826
"1212155"	244.027426	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+ACN+H"	42.033826
"1196038"	122.517351	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+ACN+2H"	43.041102
"194015"	448.95836	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+2Na-H"	44.97116
"637954"	650.95196	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+2Na-H"	44.97116
"1139273"	246.96476	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2Na-H"	44.97116
"179283"	224.982818	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+2Na"	45.978436
"619938"	325.979618	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+2Na"	45.978436
"1115944"	123.986018	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2Na"	45.978436
"1398704"	82.993104	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H+2Na"	46.985712
"1431427"	249.006346	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H+HCOOH"	47.012746
"228786"	230.01584	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+3H2O+2H"	56.04448
"1514661"	263.05839	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+IsoProp+H"	61.06479
"412524"	232.969788	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+Na+K"	61.952376
"776434"	333.966588	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+Na+K"	61.952376
"1671671"	131.972988	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Na+K"	61.952376
"256367"	468.002968	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+ACN+Na"	64.015768
"1226157"	266.009368	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+ACN+Na"	64.015768
"1716868"	266.032893	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+NH4+HCOOH"	64.039293
"1178941"	90.320418	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+3Na"	68.967654
"1653209"	270.988288	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Na+HCOOH"	68.994688
"157753"	480.90624	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+2K-H"	76.91904
"597187"	682.89984	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+2K-H"	76.91904
"1087058"	278.91264	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2K-H"	76.91904
"142780"	240.956758	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"2M+2K"	77.926316
"581606"	341.953558	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"3M+2K"	77.926316
"1068785"	139.959958	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2K"	77.926316
"1105530"	280.927192	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2K+H"	78.933592
"1337904"	281.014807	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+DMSO+H"	79.021207
"1010446"	285.053976	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2ACN+H"	83.060376
"1537323"	286.047608	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+IsoProp+Na+H"	84.054008
"1001584"	143.030626	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+2ACN+2H"	84.067652
"1592807"	286.962228	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+K+HCOOH"	84.968628
"1421748"	316.993738	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+H+CF3COOH"	115.000138
"1149480"	163.543901	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+3ACN+2H"	125.094202
"1709243"	334.020285	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+NH4+CF3COOH"	132.026685
"1640521"	338.97568	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+Na+CF3COOH"	136.98208
"1578359"	354.94962	"C02236"	"4-Sulfobenzoate;4-Sulfobenzoic acid"	"C7H6O5S"	"201.9936"	"M+K+CF3COOH"	152.95602
"808725"	129.0426	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M"	0
"978979"	110.02421	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H2O-H"	-19.01839
"66126"	85.021124	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-3H"	-3.021828
"505685"	128.035324	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-3H"	-3.021828
"883487"	42.006924	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-3H"	-3.021828
"7529"	128.035324	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H"	-2.014552
"442719"	192.556624	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H"	-2.014552
"821615"	63.514024	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H"	-2.014552
"88169"	257.077924	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-H"	-1.007276
"527729"	386.120524	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-H"	-1.007276
"902251"	128.035324	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H"	-1.007276
"58814"	274.104471	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H+NH4"	16.019271
"497279"	403.147071	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H+NH4"	16.019271
"872895"	145.061871	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H+NH4"	16.019271
"32535"	279.059866	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H+Na"	20.974666
"477083"	408.102466	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H+Na"	20.974666
"849170"	150.017266	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H+Na"	20.974666
"1618899"	150.017266	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na-2H"	20.974666
"95110"	146.023663	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-H+Cl"	33.962126
"535033"	210.544963	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-H+Cl"	33.962126
"935112"	81.502363	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+Cl"	33.962126
"268927"	293.054602	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Cl"	34.969402
"661349"	422.097202	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+Cl"	34.969402
"1273753"	164.012002	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl"	34.969402
"16666"	295.033806	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M-2H+K"	36.948606
"458056"	424.076406	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M-2H+K"	36.948606
"833188"	165.991206	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-2H+K"	36.948606
"1559718"	165.991206	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K-2H"	36.948606
"942897"	174.040794	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+HCOOH"	44.998194
"363630"	303.083401	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+HCOOH-H"	44.998201
"346175"	317.099051	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Hac-H"	59.013851
"1500723"	188.056451	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Hac-H"	59.013851
"966078"	196.022751	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+NaCOOH"	66.980151
"120455"	164.012002	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2Cl"	69.938804
"565127"	228.533302	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2Cl"	69.938804
"1033195"	99.490702	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2Cl"	69.938804
"1248401"	207.961485	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Br"	78.918885
"1313037"	210.017472	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl+HCOOH"	80.974872
"1327251"	231.999429	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl+NaCOOH"	102.956829
"919402"	242.028186	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M-H+CF3COOH"	112.985586
"1301585"	278.004864	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Cl+CF3COOH"	148.962264
"1377556"	94.029924	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H-2H2O"	-35.012676
"1394691"	112.0399	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H-H2O"	-17.0027
"294744"	259.092476	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H"	1.007276
"686801"	388.135076	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H"	1.007276
"1360233"	130.049876	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H"	1.007276
"134215"	130.049876	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2H"	2.014552
"572682"	194.571176	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2H"	2.014552
"1042574"	65.528576	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2H"	2.014552
"210471"	87.035676	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+3H"	3.021828
"653316"	130.049876	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+3H"	3.021828
"1169253"	44.021476	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+3H"	3.021828
"429247"	276.119023	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+NH4"	18.033823
"793523"	405.161623	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+NH4"	18.033823
"1686575"	147.076423	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+NH4"	18.033823
"339228"	138.5631495	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H+NH4"	19.041099
"734569"	203.0844495	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H+NH4"	19.041099
"1485472"	74.0418495	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+NH4"	19.041099
"394191"	281.074418	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Na"	22.989218
"759683"	410.117018	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+Na"	22.989218
"1603080"	152.031818	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na"	22.989218
"315630"	141.040847	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H+Na"	23.996494
"708051"	205.562147	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H+Na"	23.996494
"1463330"	76.519547	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+Na"	23.996494
"1056213"	51.34879	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2H+Na"	25.00377
"1261176"	162.076086	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+CH3OH+H"	33.033486
"381940"	297.048358	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+K"	38.963158
"741839"	426.090958	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+K"	38.963158
"1544986"	168.005758	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K"	38.963158
"301794"	149.027817	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+H+K"	39.970434
"694944"	213.549117	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+H+K"	39.970434
"1448768"	84.506517	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+K"	39.970434
"237003"	300.119026	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+ACN+H"	42.033826
"1212628"	171.076426	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+ACN+H"	42.033826
"1195417"	86.041851	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+ACN+2H"	43.041102
"189382"	303.05636	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2Na-H"	44.97116
"640251"	432.09896	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2Na-H"	44.97116
"1140476"	174.01376	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2Na-H"	44.97116
"179393"	152.031818	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2Na"	45.978436
"618955"	216.553118	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2Na"	45.978436
"1116743"	87.510518	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2Na"	45.978436
"1399423"	58.676104	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+2Na"	46.985712
"1431537"	176.055346	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+HCOOH"	47.012746
"231083"	157.06484	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+3H2O+2H"	56.04448
"1518051"	190.10739	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+IsoProp+H"	61.06479
"412634"	160.018788	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+Na+K"	61.952376
"774357"	224.540088	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+Na+K"	61.952376
"1669228"	95.497488	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na+K"	61.952376
"253196"	322.100968	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+ACN+Na"	64.015768
"1226998"	193.058368	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+ACN+Na"	64.015768
"1716978"	193.081893	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+NH4+HCOOH"	64.039293
"1178726"	66.003418	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+3Na"	68.967654
"1653683"	198.037288	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na+HCOOH"	68.994688
"157417"	335.00424	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2K-H"	76.91904
"597456"	464.04684	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2K-H"	76.91904
"1086439"	205.96164	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2K-H"	76.91904
"142403"	168.005758	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"2M+2K"	77.926316
"582081"	232.527058	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"3M+2K"	77.926316
"1068895"	103.484458	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2K"	77.926316
"1103453"	207.976192	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2K+H"	78.933592
"1335945"	208.063807	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+DMSO+H"	79.021207
"1007395"	212.102976	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2ACN+H"	83.060376
"1531965"	213.096608	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+IsoProp+Na+H"	84.054008
"1000601"	106.555126	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+2ACN+2H"	84.067652
"1592917"	214.011228	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K+HCOOH"	84.968628
"1422951"	244.042738	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+H+CF3COOH"	115.000138
"1147768"	127.068401	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+3ACN+2H"	125.094202
"1706073"	261.069285	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+NH4+CF3COOH"	132.026685
"1643911"	266.02468	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+Na+CF3COOH"	136.98208
"1581749"	281.99862	"C02237"	"5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid"	"C5H7NO3"	"129.0426"	"M+K+CF3COOH"	152.95602
"812115"	100.0524	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M"	0
"984556"	81.03401	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-H2O-H"	-19.01839
"70609"	65.694324	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M-3H"	-3.021828
"512356"	99.045124	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M-3H"	-3.021828
"885785"	32.343524	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-3H"	-3.021828
"10918"	99.045124	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M-2H"	-2.014552
"450484"	149.071324	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M-2H"	-2.014552
"821725"	49.018924	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-2H"	-2.014552
"87184"	199.097524	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M-H"	-1.007276
"528932"	299.149924	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M-H"	-1.007276
"907829"	99.045124	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-H"	-1.007276
"61961"	216.124071	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M-2H+NH4"	16.019271
"501400"	316.176471	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M-2H+NH4"	16.019271
"879085"	116.071671	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-2H+NH4"	16.019271
"33253"	221.079466	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M-2H+Na"	20.974666
"477193"	321.131866	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M-2H+Na"	20.974666
"849523"	121.027066	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-2H+Na"	20.974666
"1621972"	121.027066	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Na-2H"	20.974666
"101054"	117.033463	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M-H+Cl"	33.962126
"541708"	167.059663	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M-H+Cl"	33.962126
"935222"	67.007263	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-H+Cl"	33.962126
"269039"	235.074202	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+Cl"	34.969402
"662921"	335.126602	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+Cl"	34.969402
"1276417"	135.021802	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Cl"	34.969402
"18604"	237.053406	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M-2H+K"	36.948606
"458165"	337.105806	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M-2H+K"	36.948606
"836337"	137.001006	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-2H+K"	36.948606
"1560921"	137.001006	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+K-2H"	36.948606
"946616"	145.050594	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-H+HCOOH"	44.998194
"365927"	245.103001	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+HCOOH-H"	44.998201
"348718"	259.118651	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+Hac-H"	59.013851
"1498648"	159.066251	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Hac-H"	59.013851
"963273"	167.032551	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-H+NaCOOH"	66.980151
"123481"	135.021802	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+2Cl"	69.938804
"563783"	185.048002	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+2Cl"	69.938804
"1034399"	84.995602	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2Cl"	69.938804
"1247416"	178.971285	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Br"	78.918885
"1309864"	181.027272	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Cl+HCOOH"	80.974872
"1326268"	203.009229	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Cl+NaCOOH"	102.956829
"917325"	213.037986	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M-H+CF3COOH"	112.985586
"1299869"	249.014664	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Cl+CF3COOH"	148.962264
"1379126"	65.039724	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H-2H2O"	-35.012676
"1394436"	83.0497	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H-H2O"	-17.0027
"295219"	201.112076	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+H"	1.007276
"688735"	301.164476	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+H"	1.007276
"1363625"	101.059676	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H"	1.007276
"135418"	101.059676	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+2H"	2.014552
"577532"	151.085876	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+2H"	2.014552
"1047057"	51.033476	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2H"	2.014552
"207666"	67.708876	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+3H"	3.021828
"653426"	101.059676	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+3H"	3.021828
"1169363"	34.358076	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+3H"	3.021828
"429357"	218.138623	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+NH4"	18.033823
"793633"	318.191023	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+NH4"	18.033823
"1688872"	118.086223	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+NH4"	18.033823
"339338"	109.5729495	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+H+NH4"	19.041099
"735043"	159.5991495	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+H+NH4"	19.041099
"1485582"	59.5467495	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H+NH4"	19.041099
"394667"	223.094018	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+Na"	22.989218
"763073"	323.146418	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+Na"	22.989218
"1603514"	123.041618	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Na"	22.989218
"315252"	112.050647	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+H+Na"	23.996494
"710349"	162.076847	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+H+Na"	23.996494
"1461573"	62.024447	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H+Na"	23.996494
"1056323"	41.68539	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2H+Na"	25.00377
"1263474"	133.085886	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+CH3OH+H"	33.033486
"383142"	239.067958	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+K"	38.963158
"741221"	339.120358	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+K"	38.963158
"1544367"	139.015558	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+K"	38.963158
"301538"	120.037617	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+H+K"	39.970434
"694688"	170.063817	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+H+K"	39.970434
"1448517"	70.011417	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H+K"	39.970434
"237844"	242.138626	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+ACN+H"	42.033826
"1214196"	142.086226	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+ACN+H"	42.033826
"1196257"	71.546751	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+ACN+2H"	43.041102
"189604"	245.07596	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+2Na-H"	44.97116
"641090"	345.12836	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+2Na-H"	44.97116
"1137306"	145.02356	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2Na-H"	44.97116
"179503"	123.041618	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+2Na"	45.978436
"617970"	173.067818	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+2Na"	45.978436
"1116736"	73.015418	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2Na"	45.978436
"1399644"	49.012704	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H+2Na"	46.985712
"1435656"	147.065146	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H+HCOOH"	47.012746
"232653"	128.07464	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+3H2O+2H"	56.04448
"1518161"	161.11719	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+IsoProp+H"	61.06479
"421129"	131.028588	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+Na+K"	61.952376
"777386"	181.054788	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+Na+K"	61.952376
"1674080"	81.002388	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Na+K"	61.952376
"254400"	264.120568	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+ACN+Na"	64.015768
"1227834"	164.068168	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+ACN+Na"	64.015768
"1718182"	164.091693	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+NH4+HCOOH"	64.039293
"1180253"	56.340018	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+3Na"	68.967654
"1653429"	169.047088	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Na+HCOOH"	68.994688
"157364"	277.02384	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+2K-H"	76.91904
"597229"	377.07624	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+2K-H"	76.91904
"1085091"	176.97144	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2K-H"	76.91904
"142877"	139.015558	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"2M+2K"	77.926316
"582920"	189.041758	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"3M+2K"	77.926316
"1068926"	88.989358	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2K"	77.926316
"1101251"	178.985992	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2K+H"	78.933592
"1338124"	179.073607	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+DMSO+H"	79.021207
"1006035"	183.112776	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2ACN+H"	83.060376
"1528794"	184.106408	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+IsoProp+Na+H"	84.054008
"996337"	92.060026	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+2ACN+2H"	84.067652
"1594120"	185.021028	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+K+HCOOH"	84.968628
"1423061"	215.052538	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+H+CF3COOH"	115.000138
"1151159"	112.573301	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+3ACN+2H"	125.094202
"1706183"	232.079085	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+NH4+CF3COOH"	132.026685
"1644021"	237.03448	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+Na+CF3COOH"	136.98208
"1581859"	253.00842	"C02240"	"5-Valerolactone;delta-Valerolactone;gamma-Valerolactone"	"C5H8O2"	"100.0524"	"M+K+CF3COOH"	152.95602
"808945"	149.0701	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M"	0
"977012"	130.05171	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-H2O-H"	-19.01839
"66345"	98.3727906666667	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M-3H"	-3.021828
"505905"	148.062824	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M-3H"	-3.021828
"883707"	48.6827573333333	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-3H"	-3.021828
"7748"	148.062824	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H"	-2.014552
"445127"	222.597874	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H"	-2.014552
"820740"	73.527774	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H"	-2.014552
"82920"	297.132924	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H"	-1.007276
"525761"	446.203024	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H"	-1.007276
"910491"	148.062824	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-H"	-1.007276
"59032"	314.159471	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+NH4"	16.019271
"501509"	463.229571	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+NH4"	16.019271
"879194"	165.089371	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+NH4"	16.019271
"42113"	319.114866	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+Na"	20.974666
"479491"	468.184966	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+Na"	20.974666
"857291"	170.044766	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+Na"	20.974666
"1627917"	170.044766	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na-2H"	20.974666
"105539"	166.051163	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H+Cl"	33.962126
"547286"	240.586213	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H+Cl"	33.962126
"938612"	91.516113	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+Cl"	33.962126
"272797"	333.109602	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Cl"	34.969402
"663031"	482.179702	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Cl"	34.969402
"1279807"	184.039502	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl"	34.969402
"21268"	335.088806	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+K"	36.948606
"459737"	484.158906	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+K"	36.948606
"836447"	186.018706	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+K"	36.948606
"1564312"	186.018706	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+K-2H"	36.948606
"948913"	194.068294	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+HCOOH"	44.998194
"366037"	343.138401	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+HCOOH-H"	44.998201
"357578"	357.154051	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Hac-H"	59.013851
"1502038"	208.083951	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Hac-H"	59.013851
"968486"	216.050251	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+NaCOOH"	66.980151
"124686"	184.039502	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Cl"	69.938804
"564247"	258.574552	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Cl"	69.938804
"1034147"	109.504452	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Cl"	69.938804
"1248620"	227.988985	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Br"	78.918885
"1311067"	230.044972	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+HCOOH"	80.974872
"1326379"	252.026929	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+NaCOOH"	102.956829
"916344"	262.055686	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+CF3COOH"	112.985586
"1299980"	298.032364	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+CF3COOH"	148.962264
"1379602"	114.057424	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-2H2O"	-35.012676
"1396006"	132.0674	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-H2O"	-17.0027
"296423"	299.147476	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H"	1.007276
"690182"	448.217576	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H"	1.007276
"1366287"	150.077376	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H"	1.007276
"139177"	150.077376	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2H"	2.014552
"579101"	224.612426	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2H"	2.014552
"1047168"	75.542326	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H"	2.014552
"211786"	100.387342666667	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H"	3.021828
"653536"	150.077376	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+3H"	3.021828
"1173482"	50.6973093333333	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+3H"	3.021828
"437849"	316.174023	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+NH4"	18.033823
"799938"	465.244123	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+NH4"	18.033823
"1688982"	167.103923	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4"	18.033823
"339447"	158.5906495	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+NH4"	19.041099
"734787"	233.1256995	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+NH4"	19.041099
"1488608"	84.0555995	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+NH4"	19.041099
"397815"	321.129418	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na"	22.989218
"766463"	470.199518	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na"	22.989218
"1610187"	172.059318	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na"	22.989218
"315850"	161.068347	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+Na"	23.996494
"714833"	235.603397	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+Na"	23.996494
"1464280"	86.533297	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+Na"	23.996494
"1055340"	58.0246233333333	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H+Na"	25.00377
"1265770"	182.103586	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+CH3OH+H"	33.033486
"380336"	337.103358	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+K"	38.963158
"741330"	486.173458	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+K"	38.963158
"1544114"	188.033258	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+K"	38.963158
"300920"	169.055317	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+K"	39.970434
"695893"	243.590367	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+K"	39.970434
"1453000"	94.520267	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+K"	39.970434
"237954"	340.174026	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+H"	42.033826
"1212848"	191.103926	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+H"	42.033826
"1197095"	96.055601	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+2H"	43.041102
"189714"	343.11136	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na-H"	44.97116
"643023"	492.18146	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na-H"	44.97116
"1145071"	194.04126	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na-H"	44.97116
"181800"	172.059318	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na"	45.978436
"622454"	246.594368	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na"	45.978436
"1119400"	97.524268	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na"	45.978436
"1406203"	65.3519373333333	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+2Na"	46.985712
"1440505"	196.082846	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+HCOOH"	47.012746
"231670"	177.09234	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H2O+2H"	56.04448
"1519366"	210.13489	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+H"	61.06479
"417230"	180.046288	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na+K"	61.952376
"777496"	254.581338	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na+K"	61.952376
"1672003"	105.511238	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+K"	61.952376
"254511"	362.155968	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+Na"	64.015768
"1227218"	213.085868	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+Na"	64.015768
"1718293"	213.109393	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+HCOOH"	64.039293
"1179065"	72.6792513333333	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+3Na"	68.967654
"1650739"	218.064788	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+HCOOH"	68.994688
"157966"	375.05924	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K-H"	76.91904
"599595"	524.12934	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K-H"	76.91904
"1084712"	225.98914	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K-H"	76.91904
"141475"	188.033258	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K"	77.926316
"581932"	262.568308	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K"	77.926316
"1068995"	113.498208	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K"	77.926316
"1100144"	228.003692	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K+H"	78.933592
"1335916"	228.091307	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+DMSO+H"	79.021207
"1005908"	232.130476	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+H"	83.060376
"1527807"	233.124108	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+Na+H"	84.054008
"995354"	116.568876	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+2H"	84.067652
"1593136"	234.038728	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+HCOOH"	84.968628
"1425357"	264.070238	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+CF3COOH"	115.000138
"1151269"	137.082151	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+3ACN+2H"	125.094202
"1706293"	281.096785	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+CF3COOH"	132.026685
"1644131"	286.05218	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+CF3COOH"	136.98208
"1581969"	302.02612	"C02241"	"7-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+CF3COOH"	152.95602
"812337"	165.0651	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M"	0
"978216"	146.04671	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-H2O-H"	-19.01839
"63177"	109.036124	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M-3H"	-3.021828
"504921"	164.057824	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M-3H"	-3.021828
"882725"	54.014424	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-3H"	-3.021828
"936"	164.057824	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M-2H"	-2.014552
"448517"	246.590374	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M-2H"	-2.014552
"823037"	81.525274	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-2H"	-2.014552
"84124"	329.122924	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M-H"	-1.007276
"522955"	494.188024	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M-H"	-1.007276
"906955"	164.057824	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-H"	-1.007276
"55862"	346.149471	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M-2H+NH4"	16.019271
"500891"	511.214571	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M-2H+NH4"	16.019271
"875412"	181.084371	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-2H+NH4"	16.019271
"34203"	351.104866	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M-2H+Na"	20.974666
"478508"	516.169966	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M-2H+Na"	20.974666
"852299"	186.039766	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-2H+Na"	20.974666
"1618913"	186.039766	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Na-2H"	20.974666
"95078"	182.046163	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M-H+Cl"	33.962126
"537556"	264.578713	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M-H+Cl"	33.962126
"937630"	99.513613	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-H+Cl"	33.962126
"272907"	365.099602	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+Cl"	34.969402
"669701"	530.164702	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+Cl"	34.969402
"1278822"	200.034502	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Cl"	34.969402
"18462"	367.078806	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M-2H+K"	36.948606
"458388"	532.143906	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M-2H+K"	36.948606
"833640"	202.013706	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-2H+K"	36.948606
"1560047"	202.013706	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+K-2H"	36.948606
"945742"	210.063294	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-H+HCOOH"	44.998194
"365050"	375.128401	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+HCOOH-H"	44.998201
"359876"	389.144051	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+Hac-H"	59.013851
"1502148"	224.078951	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Hac-H"	59.013851
"968596"	232.045251	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-H+NaCOOH"	66.980151
"122971"	200.034502	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+2Cl"	69.938804
"562535"	282.567052	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+2Cl"	69.938804
"1034621"	117.501952	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2Cl"	69.938804
"1252012"	243.983985	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Br"	78.918885
"1310449"	246.039972	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Cl+HCOOH"	80.974872
"1330863"	268.021929	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Cl+NaCOOH"	102.956829
"916454"	278.050686	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M-H+CF3COOH"	112.985586
"1294256"	314.027364	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Cl+CF3COOH"	148.962264
"1378252"	130.052424	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H-2H2O"	-35.012676
"1395020"	148.0624	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H-H2O"	-17.0027
"296168"	331.137476	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+H"	1.007276
"689927"	496.202576	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+H"	1.007276
"1366764"	166.072376	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H"	1.007276
"140624"	166.072376	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+2H"	2.014552
"577022"	248.604926	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+2H"	2.014552
"1050560"	83.539826	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2H"	2.014552
"218459"	111.050676	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+3H"	3.021828
"655833"	166.072376	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+3H"	3.021828
"1171405"	56.028976	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+3H"	3.021828
"437959"	348.164023	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+NH4"	18.033823
"798227"	513.229123	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+NH4"	18.033823
"1693467"	183.098923	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+NH4"	18.033823
"338464"	174.5856495	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+H+NH4"	19.041099
"731981"	257.1181995	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+H+NH4"	19.041099
"1486896"	92.0530995	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H+NH4"	19.041099
"397925"	353.119418	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+Na"	22.989218
"766573"	518.184518	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+Na"	22.989218
"1610297"	188.054318	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Na"	22.989218
"319240"	177.063347	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+H+Na"	23.996494
"714943"	259.595897	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+H+Na"	23.996494
"1468764"	94.530797	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H+Na"	23.996494
"1058731"	63.35629	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2H+Na"	25.00377
"1261506"	198.098586	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+CH3OH+H"	33.033486
"379717"	369.093358	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+K"	38.963158
"739617"	534.158458	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+K"	38.963158
"1544223"	204.028258	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+K"	38.963158
"301031"	185.050317	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+H+K"	39.970434
"697096"	267.582867	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+H+K"	39.970434
"1452017"	102.517767	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H+K"	39.970434
"236970"	372.164026	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+ACN+H"	42.033826
"1212593"	207.098926	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+ACN+H"	42.033826
"1196116"	104.053101	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+ACN+2H"	43.041102
"191168"	375.10136	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+2Na-H"	44.97116
"641310"	540.16646	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+2Na-H"	44.97116
"1141901"	210.03626	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2Na-H"	44.97116
"175350"	188.054318	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+2Na"	45.978436
"619284"	270.586868	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+2Na"	45.978436
"1119509"	105.521768	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2Na"	45.978436
"1398465"	70.683604	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H+2Na"	46.985712
"1435148"	212.077846	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H+HCOOH"	47.012746
"232873"	193.08734	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+3H2O+2H"	56.04448
"1520568"	226.12989	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+IsoProp+H"	61.06479
"418068"	196.041288	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+Na+K"	61.952376
"775783"	278.573838	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+Na+K"	61.952376
"1669197"	113.508738	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Na+K"	61.952376
"254621"	394.145968	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+ACN+Na"	64.015768
"1227327"	229.080868	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+ACN+Na"	64.015768
"1717310"	229.104393	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+NH4+HCOOH"	64.039293
"1178649"	78.010918	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+3Na"	68.967654
"1650730"	234.059788	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Na+HCOOH"	68.994688
"158076"	407.04924	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+2K-H"	76.91904
"599705"	572.11434	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+2K-H"	76.91904
"1086037"	241.98414	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2K-H"	76.91904
"142002"	204.028258	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"2M+2K"	77.926316
"582534"	286.560808	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"3M+2K"	77.926316
"1070573"	121.495708	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2K"	77.926316
"1107063"	243.998692	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2K+H"	78.933592
"1335620"	244.086307	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+DMSO+H"	79.021207
"1005746"	248.125476	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2ACN+H"	83.060376
"1526823"	249.119108	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+IsoProp+Na+H"	84.054008
"995464"	124.566376	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+2ACN+2H"	84.067652
"1594339"	250.033728	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+K+HCOOH"	84.968628
"1425467"	280.065238	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+H+CF3COOH"	115.000138
"1151382"	145.079651	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+3ACN+2H"	125.094202
"1711871"	297.091785	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+NH4+CF3COOH"	132.026685
"1644241"	302.04718	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+Na+CF3COOH"	136.98208
"1582079"	318.02112	"C02242"	"7-Methylguanine"	"C6H7N5O"	"165.0651"	"M+K+CF3COOH"	152.95602
"803696"	282.0964	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M"	0
"977231"	263.07801	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-H2O-H"	-19.01839
"66563"	187.056990666667	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M-3H"	-3.021828
"505031"	281.089124	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M-3H"	-3.021828
"888300"	93.0248573333333	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-3H"	-3.021828
"10154"	281.089124	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M-2H"	-2.014552
"442066"	422.137324	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M-2H"	-2.014552
"820959"	140.040924	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-2H"	-2.014552
"83139"	563.185524	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M-H"	-1.007276
"525982"	845.281924	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M-H"	-1.007276
"907065"	281.089124	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-H"	-1.007276
"55972"	580.212071	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M-2H+NH4"	16.019271
"500639"	862.308471	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M-2H+NH4"	16.019271
"876253"	298.115671	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-2H+NH4"	16.019271
"34310"	585.167466	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M-2H+Na"	20.974666
"475337"	867.263866	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M-2H+Na"	20.974666
"850949"	303.071066	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-2H+Na"	20.974666
"1622668"	303.071066	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Na-2H"	20.974666
"101385"	299.077463	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M-H+Cl"	33.962126
"543132"	440.125663	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M-H+Cl"	33.962126
"936647"	158.029263	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-H+Cl"	33.962126
"274110"	599.162202	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+Cl"	34.969402
"666529"	881.258602	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+Cl"	34.969402
"1278932"	317.065802	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Cl"	34.969402
"17112"	601.141406	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M-2H+K"	36.948606
"458132"	883.237806	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M-2H+K"	36.948606
"833503"	319.045006	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-2H+K"	36.948606
"1556874"	319.045006	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+K-2H"	36.948606
"943094"	327.094594	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-H+HCOOH"	44.998194
"362120"	609.191001	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+HCOOH-H"	44.998201
"357434"	623.206651	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+Hac-H"	59.013851
"1504081"	341.110251	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Hac-H"	59.013851
"965425"	349.076551	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-H+NaCOOH"	66.980151
"121988"	317.065802	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+2Cl"	69.938804
"563738"	458.114002	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+2Cl"	69.938804
"1033266"	176.017602	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2Cl"	69.938804
"1255040"	361.015285	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Br"	78.918885
"1312379"	363.071272	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Cl+HCOOH"	80.974872
"1325503"	385.053229	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Cl+NaCOOH"	102.956829
"917654"	395.081986	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M-H+CF3COOH"	112.985586
"1294366"	431.058664	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Cl+CF3COOH"	148.962264
"1379090"	247.083724	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H-2H2O"	-35.012676
"1393308"	265.0937	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H-H2O"	-17.0027
"294816"	565.200076	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+H"	1.007276
"684690"	847.296476	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+H"	1.007276
"1361762"	283.103676	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H"	1.007276
"132464"	283.103676	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+2H"	2.014552
"576038"	424.151876	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+2H"	2.014552
"1047387"	142.055476	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2H"	2.014552
"208725"	189.071542666667	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+3H"	3.021828
"653391"	283.103676	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+3H"	3.021828
"1165318"	95.0394093333334	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+3H"	3.021828
"432965"	582.226623	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+NH4"	18.033823
"796877"	864.323023	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+NH4"	18.033823
"1690292"	300.130223	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+NH4"	18.033823
"336386"	291.6169495	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+H+NH4"	19.041099
"730634"	432.6651495	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+H+NH4"	19.041099
"1488464"	150.5687495	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H+NH4"	19.041099
"401314"	587.182018	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+Na"	22.989218
"756842"	869.278418	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+Na"	22.989218
"1607126"	305.085618	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Na"	22.989218
"322630"	294.094647	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+H+Na"	23.996494
"715054"	435.142847	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+H+Na"	23.996494
"1469968"	153.046447	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H+Na"	23.996494
"1057749"	102.366723333333	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2H+Na"	25.00377
"1257971"	315.129886	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+CH3OH+H"	33.033486
"377307"	603.155958	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+K"	38.963158
"738558"	885.252358	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+K"	38.963158
"1539998"	321.059558	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+K"	38.963158
"299316"	302.081617	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+H+K"	39.970434
"693197"	443.129817	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+H+K"	39.970434
"1445921"	161.033417	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H+K"	39.970434
"235783"	606.226626	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+ACN+H"	42.033826
"1209975"	324.130226	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+ACN+H"	42.033826
"1194395"	162.568751	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+ACN+2H"	43.041102
"188928"	609.16396	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+2Na-H"	44.97116
"639597"	891.26036	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+2Na-H"	44.97116
"1139824"	327.06756	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2Na-H"	44.97116
"175581"	305.085618	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+2Na"	45.978436
"619394"	446.133818	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+2Na"	45.978436
"1119619"	164.037418	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2Na"	45.978436
"1398599"	109.694037333333	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H+2Na"	46.985712
"1431978"	329.109146	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H+HCOOH"	47.012746
"232256"	310.11864	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+3H2O+2H"	56.04448
"1520679"	343.16119	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+IsoProp+H"	61.06479
"418178"	313.072588	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+Na+K"	61.952376
"775893"	454.120788	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+Na+K"	61.952376
"1669671"	172.024388	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Na+K"	61.952376
"252909"	628.208568	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+ACN+Na"	64.015768
"1227194"	346.112168	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+ACN+Na"	64.015768
"1717056"	346.135693	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+NH4+HCOOH"	64.039293
"1181313"	117.021351333333	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+3Na"	68.967654
"1651206"	351.091088	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Na+HCOOH"	68.994688
"157413"	641.11184	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+2K-H"	76.91904
"598721"	923.20824	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+2K-H"	76.91904
"1084932"	359.01544	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2K-H"	76.91904
"141498"	321.059558	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"2M+2K"	77.926316
"582037"	462.107758	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"3M+2K"	77.926316
"1070318"	180.011358	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2K"	77.926316
"1102800"	361.029992	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2K+H"	78.933592
"1336145"	361.117607	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+DMSO+H"	79.021207
"1005926"	365.156776	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2ACN+H"	83.060376
"1527297"	366.150408	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+IsoProp+Na+H"	84.054008
"995574"	183.082026	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+2ACN+2H"	84.067652
"1592263"	367.065028	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+K+HCOOH"	84.968628
"1416829"	397.096538	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+H+CF3COOH"	115.000138
"1147481"	203.595301	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+3ACN+2H"	125.094202
"1708701"	414.123085	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+NH4+CF3COOH"	132.026685
"1641071"	419.07848	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+Na+CF3COOH"	136.98208
"1582189"	435.05242	"C02243"	"8-Oxocoformycin"	"C11H14N4O5"	"282.0964"	"M+K+CF3COOH"	152.95602
"801862"	886.1523	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M"	0
"980623"	867.13391	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-H2O-H"	-19.01839
"71054"	589.760924	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M-3H"	-3.021828
"513896"	885.145024	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M-3H"	-3.021828
"892792"	294.376824	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-3H"	-3.021828
"11369"	885.145024	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M-2H"	-2.014552
"450926"	1328.221174	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M-2H"	-2.014552
"826542"	442.068874	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-2H"	-2.014552
"89815"	1771.297324	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M-H"	-1.007276
"531563"	2657.449624	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M-H"	-1.007276
"906084"	885.145024	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-H"	-1.007276
"59372"	1788.323871	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M-2H+NH4"	16.019271
"493466"	2674.476171	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M-2H+NH4"	16.019271
"871268"	902.171571	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-2H+NH4"	16.019271
"35887"	1793.279266	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M-2H+Na"	20.974666
"473622"	2679.431566	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M-2H+Na"	20.974666
"848908"	907.126966	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-2H+Na"	20.974666
"1620226"	907.126966	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Na-2H"	20.974666
"96022"	903.133363	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M-H+Cl"	33.962126
"534977"	1346.209513	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M-H+Cl"	33.962126
"930196"	460.057213	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-H+Cl"	33.962126
"268752"	1807.274002	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+Cl"	34.969402
"661416"	2693.426302	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+Cl"	34.969402
"1275762"	921.121702	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Cl"	34.969402
"15916"	1809.253206	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M-2H+K"	36.948606
"457272"	2695.405506	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M-2H+K"	36.948606
"833019"	923.100906	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-2H+K"	36.948606
"1562460"	923.100906	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+K-2H"	36.948606
"947062"	931.150494	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-H+HCOOH"	44.998194
"376218"	1817.302801	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+HCOOH-H"	44.998201
"360828"	1831.318451	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+Hac-H"	59.013851
"1506022"	945.166151	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Hac-H"	59.013851
"972469"	953.132451	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-H+NaCOOH"	66.980151
"117730"	921.121702	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+2Cl"	69.938804
"556199"	1364.197852	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+2Cl"	69.938804
"1026091"	478.045552	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2Cl"	69.938804
"1245668"	965.071185	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Br"	78.918885
"1318699"	967.127172	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Cl+HCOOH"	80.974872
"1331090"	989.109129	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Cl+NaCOOH"	102.956829
"922148"	999.137886	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M-H+CF3COOH"	112.985586
"1301772"	1035.114564	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Cl+CF3COOH"	148.962264
"1375923"	851.139624	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H-2H2O"	-35.012676
"1390137"	869.1496	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H-H2O"	-17.0027
"290917"	1773.311876	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+H"	1.007276
"682243"	2659.464176	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+H"	1.007276
"1356408"	887.159576	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H"	1.007276
"133671"	887.159576	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+2H"	2.014552
"575053"	1330.235726	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+2H"	2.014552
"1044217"	444.083426	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2H"	2.014552
"208838"	591.775476	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+3H"	3.021828
"648399"	887.159576	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+3H"	3.021828
"1173090"	296.391376	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+3H"	3.021828
"431989"	1790.338423	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+NH4"	18.033823
"794080"	2676.490723	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+NH4"	18.033823
"1687130"	904.186123	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+NH4"	18.033823
"341613"	895.6728495	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+H+NH4"	19.041099
"735487"	1338.7489995	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+H+NH4"	19.041099
"1488214"	452.5966995	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H+NH4"	19.041099
"394865"	1795.293818	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+Na"	22.989218
"763516"	2681.446118	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+Na"	22.989218
"1609429"	909.141518	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Na"	22.989218
"319468"	898.150547	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+H+Na"	23.996494
"708608"	1341.226697	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+H+Na"	23.996494
"1461649"	455.074397	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H+Na"	23.996494
"1053486"	303.71869	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2H+Na"	25.00377
"1257229"	919.185786	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+CH3OH+H"	33.033486
"378110"	1811.267758	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+K"	38.963158
"738659"	2697.420058	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+K"	38.963158
"1540135"	925.115458	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+K"	38.963158
"299066"	906.137517	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+H+K"	39.970434
"693311"	1349.213667	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+H+K"	39.970434
"1450052"	463.061367	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H+K"	39.970434
"240841"	1814.338426	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+ACN+H"	42.033826
"1219751"	928.186126	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+ACN+H"	42.033826
"1199624"	464.596701	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+ACN+2H"	43.041102
"195775"	1817.27576	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+2Na-H"	44.97116
"638616"	2703.42806	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+2Na-H"	44.97116
"1141029"	931.12346	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2Na-H"	44.97116
"175694"	909.141518	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+2Na"	45.978436
"613674"	1352.217668	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+2Na"	45.978436
"1125207"	466.065368	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2Na"	45.978436
"1408733"	311.046004	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H+2Na"	46.985712
"1440484"	933.165046	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H+HCOOH"	47.012746
"230543"	914.17454	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+3H2O+2H"	56.04448
"1517511"	947.21709	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+IsoProp+H"	61.06479
"420477"	917.128488	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+Na+K"	61.952376
"776003"	1360.204638	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+Na+K"	61.952376
"1672335"	474.052338	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Na+K"	61.952376
"258856"	1836.320368	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+ACN+Na"	64.015768
"1227188"	950.168068	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+ACN+Na"	64.015768
"1718262"	950.191593	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+NH4+HCOOH"	64.039293
"1181429"	318.373318	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+3Na"	68.967654
"1654606"	955.146988	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Na+HCOOH"	68.994688
"163651"	1849.22364	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+2K-H"	76.91904
"604303"	2735.37594	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+2K-H"	76.91904
"1089910"	963.07134	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2K-H"	76.91904
"146725"	925.115458	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"2M+2K"	77.926316
"585190"	1368.191608	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"3M+2K"	77.926316
"1074078"	482.039308	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2K"	77.926316
"1110571"	965.085892	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2K+H"	78.933592
"1348054"	965.173507	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+DMSO+H"	79.021207
"1020838"	969.212676	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2ACN+H"	83.060376
"1534710"	970.206308	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+IsoProp+Na+H"	84.054008
"997876"	485.109976	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+2ACN+2H"	84.067652
"1595659"	971.120928	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+K+HCOOH"	84.968628
"1424601"	1001.152438	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+H+CF3COOH"	115.000138
"1154890"	505.623251	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+3ACN+2H"	125.094202
"1706627"	1018.178985	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+NH4+CF3COOH"	132.026685
"1646651"	1023.13438	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+Na+CF3COOH"	136.98208
"1579021"	1039.10832	"C02247"	"Anthraniloyl-CoA;2-Aminobenzoyl-CoA"	"C28H41N8O17P3S"	"886.1523"	"M+K+CF3COOH"	152.95602
"809389"	1053.3449	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M"	0
"977455"	1034.32651	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H2O-H"	-19.01839
"75539"	701.222657333333	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-3H"	-3.021828
"516195"	1052.337624	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-3H"	-3.021828
"890715"	350.107690666667	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-3H"	-3.021828
"12570"	1052.337624	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H"	-2.014552
"451038"	1579.010074	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H"	-2.014552
"828840"	525.665174	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H"	-2.014552
"91018"	2105.682524	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-H"	-1.007276
"529486"	3159.027424	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-H"	-1.007276
"905110"	1052.337624	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H"	-1.007276
"52923"	2122.709071	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+NH4"	16.019271
"491389"	3176.053971	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+NH4"	16.019271
"868094"	1069.364171	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+NH4"	16.019271
"38180"	2127.664466	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+Na"	20.974666
"474579"	3181.009366	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+Na"	20.974666
"850077"	1074.319566	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+Na"	20.974666
"1621427"	1074.319566	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na-2H"	20.974666
"96497"	1070.325963	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-H+Cl"	33.962126
"536791"	1596.998413	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-H+Cl"	33.962126
"935773"	543.653513	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+Cl"	33.962126
"270321"	2141.659202	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Cl"	34.969402
"664568"	3195.004102	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Cl"	34.969402
"1275880"	1088.314302	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl"	34.969402
"16974"	2143.638406	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+K"	36.948606
"459087"	3196.983306	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+K"	36.948606
"836892"	1090.293506	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+K"	36.948606
"1564758"	1090.293506	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K-2H"	36.948606
"957885"	1098.343094	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+HCOOH"	44.998194
"376209"	2151.688001	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+HCOOH-H"	44.998201
"361032"	2165.703651	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Hac-H"	59.013851
"1507836"	1112.358751	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Hac-H"	59.013851
"970027"	1120.325051	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+NaCOOH"	66.980151
"116749"	1088.314302	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Cl"	69.938804
"557402"	1614.986752	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Cl"	69.938804
"1028388"	561.641852	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Cl"	69.938804
"1252719"	1132.263785	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Br"	78.918885
"1317355"	1134.319772	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+HCOOH"	80.974872
"1333025"	1156.301729	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+NaCOOH"	102.956829
"923354"	1166.330486	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+CF3COOH"	112.985586
"1300791"	1202.307164	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+CF3COOH"	148.962264
"1376035"	1018.332224	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H-2H2O"	-35.012676
"1397178"	1036.3422	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H-H2O"	-17.0027
"292852"	2107.697076	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H"	1.007276
"683450"	3161.041976	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H"	1.007276
"1358704"	1054.352176	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H"	1.007276
"131594"	1054.352176	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2H"	2.014552
"573340"	1581.024626	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2H"	2.014552
"1050164"	527.679726	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2H"	2.014552
"217699"	703.237209333333	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+3H"	3.021828
"653982"	1054.352176	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+3H"	3.021828
"1173200"	352.122242666667	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3H"	3.021828
"433194"	2124.723623	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+NH4"	18.033823
"794189"	3178.068523	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+NH4"	18.033823
"1692717"	1071.378723	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4"	18.033823
"343179"	1062.8654495	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+NH4"	19.041099
"733413"	1589.5378995	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+NH4"	19.041099
"1488325"	536.1929995	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+NH4"	19.041099
"407370"	2129.679018	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Na"	22.989218
"763628"	3183.023918	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Na"	22.989218
"1612819"	1076.334118	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na"	22.989218
"322860"	1065.343147	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+Na"	23.996494
"709813"	1592.015597	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+Na"	23.996494
"1461396"	538.670697	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+Na"	23.996494
"1056512"	359.449556666667	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2H+Na"	25.00377
"1258552"	1086.378386	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+CH3OH+H"	33.033486
"379071"	2145.652958	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+K"	38.963158
"738647"	3198.997858	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+K"	38.963158
"1540336"	1092.308058	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K"	38.963158
"299782"	1073.330117	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+K"	39.970434
"691966"	1600.002567	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+K"	39.970434
"1456727"	546.657667	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+K"	39.970434
"247517"	2148.723626	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+ACN+H"	42.033826
"1218038"	1095.378726	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+H"	42.033826
"1199734"	548.193001	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+2H"	43.041102
"196979"	2151.66096	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Na-H"	44.97116
"636544"	3205.00586	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Na-H"	44.97116
"1136767"	1098.31606	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Na-H"	44.97116
"181517"	1076.334118	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Na"	45.978436
"624727"	1603.006568	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Na"	45.978436
"1125317"	549.661668	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Na"	45.978436
"1410664"	366.776870666667	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+2Na"	46.985712
"1443148"	1100.357646	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+HCOOH"	47.012746
"229559"	1081.36714	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+3H2O+2H"	56.04448
"1519808"	1114.40969	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+IsoProp+H"	61.06479
"418400"	1084.321088	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Na+K"	61.952376
"779397"	1610.993538	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Na+K"	61.952376
"1672445"	557.648638	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+K"	61.952376
"256777"	2170.705568	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+ACN+Na"	64.015768
"1229486"	1117.360668	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+Na"	64.015768
"1717278"	1117.384193	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4+HCOOH"	64.039293
"1183726"	374.104184666667	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3Na"	68.967654
"1655809"	1122.339588	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+HCOOH"	68.994688
"162667"	2183.60884	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2K-H"	76.91904
"598578"	3236.95374	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2K-H"	76.91904
"1087831"	1130.26394	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K-H"	76.91904
"146836"	1092.308058	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2K"	77.926316
"586400"	1618.980508	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2K"	77.926316
"1081849"	565.635608	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K"	77.926316
"1111777"	1132.278492	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K+H"	78.933592
"1348163"	1132.366107	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+DMSO+H"	79.021207
"1019611"	1136.405276	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2ACN+H"	83.060376
"1537007"	1137.398908	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+IsoProp+Na+H"	84.054008
"997986"	568.706276	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2ACN+2H"	84.067652
"1591397"	1138.313528	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K+HCOOH"	84.968628
"1426899"	1168.345038	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+CF3COOH"	115.000138
"1160469"	589.219551	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3ACN+2H"	125.094202
"1711356"	1185.371585	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4+CF3COOH"	132.026685
"1641294"	1190.32698	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+CF3COOH"	136.98208
"1579133"	1206.30092	"C02249"	"Arachidonyl-CoA;Arachidonoyl-CoA;(5Z8Z11Z14Z)-Icosatetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K+CF3COOH"	152.95602
"816063"	234.1481	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M"	0
"980849"	215.12971	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-H2O-H"	-19.01839
"65081"	155.091457333333	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M-3H"	-3.021828
"509741"	233.140824	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M-3H"	-3.021828
"884263"	77.0420906666667	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-3H"	-3.021828
"3933"	233.140824	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M-2H"	-2.014552
"445682"	350.214874	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M-2H"	-2.014552
"826762"	116.066774	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-2H"	-2.014552
"80559"	467.288924	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M-H"	-1.007276
"526324"	701.437024	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M-H"	-1.007276
"904127"	233.140824	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-H"	-1.007276
"49874"	484.315471	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M-2H+NH4"	16.019271
"491499"	718.463571	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M-2H+NH4"	16.019271
"870391"	250.167371	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-2H+NH4"	16.019271
"38290"	489.270866	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M-2H+Na"	20.974666
"477119"	723.418966	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M-2H+Na"	20.974666
"851399"	255.122766	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-2H+Na"	20.974666
"1621905"	255.122766	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Na-2H"	20.974666
"99527"	251.129163	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M-H+Cl"	33.962126
"542368"	368.203213	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M-H+Cl"	33.962126
"941350"	134.055113	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-H+Cl"	33.962126
"275532"	503.265602	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+Cl"	34.969402
"665039"	737.413702	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+Cl"	34.969402
"1280355"	269.117502	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Cl"	34.969402
"20730"	505.244806	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M-2H+K"	36.948606
"458232"	739.392906	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M-2H+K"	36.948606
"844663"	271.096706	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-2H+K"	36.948606
"1570955"	271.096706	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+K-2H"	36.948606
"958302"	279.146294	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-H+HCOOH"	44.998194
"374982"	513.294401	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+HCOOH-H"	44.998201
"359957"	527.310051	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+Hac-H"	59.013851
"1501503"	293.161951	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Hac-H"	59.013851
"971966"	301.128251	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-H+NaCOOH"	66.980151
"117954"	269.117502	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+2Cl"	69.938804
"561891"	386.191552	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+2Cl"	69.938804
"1028512"	152.043452	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2Cl"	69.938804
"1249184"	313.066985	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Br"	78.918885
"1316004"	315.122972	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Cl+HCOOH"	80.974872
"1333134"	337.104929	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Cl+NaCOOH"	102.956829
"920181"	347.133686	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M-H+CF3COOH"	112.985586
"1299806"	383.110364	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Cl+CF3COOH"	148.962264
"1377236"	199.135424	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H-2H2O"	-35.012676
"1392543"	217.1454	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H-H2O"	-17.0027
"290773"	469.303476	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+H"	1.007276
"683561"	703.451576	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+H"	1.007276
"1361004"	235.155376	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H"	1.007276
"136807"	235.155376	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+2H"	2.014552
"575642"	352.229426	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+2H"	2.014552
"1045535"	118.081326	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2H"	2.014552
"215628"	157.106009333333	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+3H"	3.021828
"654092"	235.155376	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+3H"	3.021828
"1175135"	79.0566426666667	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+3H"	3.021828
"435490"	486.330023	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+NH4"	18.033823
"793205"	720.478123	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+NH4"	18.033823
"1681881"	252.181923	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+NH4"	18.033823
"342191"	243.6686495	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+H+NH4"	19.041099
"736438"	360.7426995	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+H+NH4"	19.041099
"1488435"	126.5945995	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H+NH4"	19.041099
"401649"	491.285418	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+Na"	22.989218
"767018"	725.433518	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+Na"	22.989218
"1612929"	257.137318	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Na"	22.989218
"317503"	246.146347	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+H+Na"	23.996494
"711017"	363.220397	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+H+Na"	23.996494
"1468116"	129.072297	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H+Na"	23.996494
"1055163"	86.3839566666667	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2H+Na"	25.00377
"1260850"	267.181586	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+CH3OH+H"	33.033486
"378088"	507.259358	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+K"	38.963158
"739451"	741.407458	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+K"	38.963158
"1540772"	273.111258	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+K"	38.963158
"300380"	254.133317	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+H+K"	39.970434
"703743"	371.207367	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+H+K"	39.970434
"1455748"	137.059267	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H+K"	39.970434
"246534"	510.330026	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+ACN+H"	42.033826
"1219241"	276.181926	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+ACN+H"	42.033826
"1200937"	138.594601	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+ACN+2H"	43.041102
"194906"	513.26736	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+2Na-H"	44.97116
"635924"	747.41546	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+2Na-H"	44.97116
"1140524"	279.11926	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2Na-H"	44.97116
"184794"	257.137318	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+2Na"	45.978436
"624474"	374.211368	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+2Na"	45.978436
"1125427"	140.063268	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2Na"	45.978436
"1412477"	93.7112706666667	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H+2Na"	46.985712
"1443255"	281.160846	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H+HCOOH"	47.012746
"231128"	262.17034	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+3H2O+2H"	56.04448
"1516638"	295.21289	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+IsoProp+H"	61.06479
"415231"	265.124288	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+Na+K"	61.952376
"776225"	382.198338	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+Na+K"	61.952376
"1672555"	148.050238	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Na+K"	61.952376
"256887"	532.311968	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+ACN+Na"	64.015768
"1227044"	298.163868	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+ACN+Na"	64.015768
"1716295"	298.187393	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+NH4+HCOOH"	64.039293
"1182743"	101.038584666667	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+3Na"	68.967654
"1650203"	303.142788	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Na+HCOOH"	68.994688
"159130"	545.21524	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+2K-H"	76.91904
"597395"	779.36334	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+2K-H"	76.91904
"1086846"	311.06714	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2K-H"	76.91904
"150232"	273.111258	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"2M+2K"	77.926316
"590885"	390.185308	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"3M+2K"	77.926316
"1081959"	156.037208	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2K"	77.926316
"1110795"	313.081692	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2K+H"	78.933592
"1346087"	313.169307	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+DMSO+H"	79.021207
"1018991"	317.208476	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2ACN+H"	83.060376
"1527275"	318.202108	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+IsoProp+Na+H"	84.054008
"995910"	159.107876	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+2ACN+2H"	84.067652
"1593693"	319.116728	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+K+HCOOH"	84.968628
"1426281"	349.148238	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+H+CF3COOH"	115.000138
"1159484"	179.621151	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+3ACN+2H"	125.094202
"1706849"	366.174785	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+NH4+CF3COOH"	132.026685
"1643594"	371.13018	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+Na+CF3COOH"	136.98208
"1580337"	387.10412	"C02253"	"Benzoylagmatine"	"C12H18N4O"	"234.1481"	"M+K+CF3COOH"	152.95602
"809613"	189.1001	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M"	0
"976584"	170.08171	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-H2O-H"	-19.01839
"68104"	125.059457333333	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M-3H"	-3.021828
"505477"	188.092824	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M-3H"	-3.021828
"881823"	62.0260906666667	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-3H"	-3.021828
"1492"	188.092824	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M-2H"	-2.014552
"444698"	282.642874	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M-2H"	-2.014552
"819221"	93.542774	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-2H"	-2.014552
"85781"	377.192924	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M-H"	-1.007276
"529717"	566.293024	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M-H"	-1.007276
"904237"	188.092824	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-H"	-1.007276
"57516"	394.219471	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M-2H+NH4"	16.019271
"495983"	583.319571	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M-2H+NH4"	16.019271
"869772"	205.119371	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-2H+NH4"	16.019271
"37672"	399.174866	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M-2H+Na"	20.974666
"475043"	588.274966	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M-2H+Na"	20.974666
"853574"	210.074766	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-2H+Na"	20.974666
"1622744"	210.074766	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Na-2H"	20.974666
"100730"	206.081163	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M-H+Cl"	33.962126
"539200"	300.631213	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M-H+Cl"	33.962126
"934900"	111.531113	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-H+Cl"	33.962126
"275642"	413.169602	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+Cl"	34.969402
"664055"	602.269702	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+Cl"	34.969402
"1275004"	224.069502	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Cl"	34.969402
"26318"	415.148806	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M-2H+K"	36.948606
"468795"	604.248906	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M-2H+K"	36.948606
"848274"	226.048706	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-2H+K"	36.948606
"1570739"	226.048706	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+K-2H"	36.948606
"957203"	234.098294	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-H+HCOOH"	44.998194
"376388"	423.198401	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+HCOOH-H"	44.998201
"358982"	437.214051	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+Hac-H"	59.013851
"1506356"	248.113951	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Hac-H"	59.013851
"968793"	256.080251	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-H+NaCOOH"	66.980151
"120981"	224.069502	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+2Cl"	69.938804
"563830"	318.619552	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+2Cl"	69.938804
"1031900"	129.519452	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2Cl"	69.938804
"1251480"	268.018985	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Br"	78.918885
"1315022"	270.074972	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Cl+HCOOH"	80.974872
"1333246"	292.056929	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Cl+NaCOOH"	102.956829
"923572"	302.085686	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M-H+CF3COOH"	112.985586
"1302469"	338.062364	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Cl+CF3COOH"	148.962264
"1376252"	154.087424	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H-2H2O"	-35.012676
"1396304"	172.0974	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H-H2O"	-17.0027
"297085"	379.207476	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+H"	1.007276
"689875"	568.307576	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+H"	1.007276
"1365492"	190.107376	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H"	1.007276
"136194"	190.107376	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+2H"	2.014552
"573567"	284.657426	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+2H"	2.014552
"1052214"	95.557326	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2H"	2.014552
"217563"	127.074009333333	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+3H"	3.021828
"656394"	190.107376	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+3H"	3.021828
"1172331"	64.0406426666667	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+3H"	3.021828
"436332"	396.234023	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+NH4"	18.033823
"787850"	585.334123	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+NH4"	18.033823
"1693301"	207.133923	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+NH4"	18.033823
"341214"	198.6206495	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+H+NH4"	19.041099
"736914"	293.1706995	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+H+NH4"	19.041099
"1489643"	104.0705995	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H+NH4"	19.041099
"405771"	401.189418	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+Na"	22.989218
"767129"	590.289518	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+Na"	22.989218
"1611952"	212.089318	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Na"	22.989218
"321987"	201.098347	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+H+Na"	23.996494
"710033"	295.648397	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+H+Na"	23.996494
"1463120"	106.548297	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H+Na"	23.996494
"1058189"	71.3679566666667	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2H+Na"	25.00377
"1264246"	222.133586	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+CH3OH+H"	33.033486
"377838"	417.163358	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+K"	38.963158
"741628"	606.263458	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+K"	38.963158
"1543684"	228.063258	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+K"	38.963158
"309613"	209.085317	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+H+K"	39.970434
"704592"	303.635367	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+H+K"	39.970434
"1456952"	114.535267	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H+K"	39.970434
"245551"	420.234026	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+ACN+H"	42.033826
"1219353"	231.133926	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+ACN+H"	42.033826
"1206519"	116.070601	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+ACN+2H"	43.041102
"195016"	423.17136	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+2Na-H"	44.97116
"635670"	612.27146	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+2Na-H"	44.97116
"1140276"	234.07126	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2Na-H"	44.97116
"185390"	212.089318	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+2Na"	45.978436
"625677"	306.639368	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+2Na"	45.978436
"1128818"	117.539268	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2Na"	45.978436
"1412343"	78.6952706666667	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H+2Na"	46.985712
"1444826"	236.112846	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H+HCOOH"	47.012746
"231238"	217.12234	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+3H2O+2H"	56.04448
"1520027"	250.16489	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+IsoProp+H"	61.06479
"417527"	220.076288	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+Na+K"	61.952376
"779615"	314.626338	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+Na+K"	61.952376
"1673759"	125.526238	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Na+K"	61.952376
"259187"	442.215968	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+ACN+Na"	64.015768
"1228613"	253.115868	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+ACN+Na"	64.015768
"1716406"	253.139393	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+NH4+HCOOH"	64.039293
"1180664"	86.0225846666667	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+3Na"	68.967654
"1653838"	258.094788	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Na+HCOOH"	68.994688
"159602"	455.11924	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+2K-H"	76.91904
"601352"	644.21934	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+2K-H"	76.91904
"1093525"	266.01914	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2K-H"	76.91904
"153622"	228.063258	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"2M+2K"	77.926316
"590995"	322.613308	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"3M+2K"	77.926316
"1079883"	133.513208	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2K"	77.926316
"1113459"	268.033692	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2K+H"	78.933592
"1348383"	268.121307	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+DMSO+H"	79.021207
"1018009"	272.160476	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2ACN+H"	83.060376
"1536134"	273.154108	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+IsoProp+Na+H"	84.054008
"999301"	136.583876	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+2ACN+2H"	84.067652
"1591616"	274.068728	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+K+HCOOH"	84.968628
"1424934"	304.100238	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+H+CF3COOH"	115.000138
"1150846"	157.097151	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+3ACN+2H"	125.094202
"1706957"	321.126785	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+NH4+CF3COOH"	132.026685
"1639327"	326.08218	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+Na+CF3COOH"	136.98208
"1572791"	342.05612	"C02256"	"Castanospermine"	"C8H15NO4"	"189.1001"	"M+K+CF3COOH"	152.95602
"806442"	103.0633	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M"	0
"981068"	84.04491	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"69309"	67.7015906666667	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"509963"	102.056024	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"882297"	33.3471573333333	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"7433"	102.056024	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"444805"	153.587674	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"826996"	50.524374	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"89172"	205.119324	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"531649"	308.182624	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"905439"	102.056024	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"55438"	222.145871	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"499373"	325.209171	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"868060"	119.082571	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"34505"	227.101266	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"472238"	330.164566	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"852591"	124.037966	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1621032"	124.037966	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"95010"	120.044363	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"538217"	171.576013	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"929909"	68.512713	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"267372"	241.096002	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"659971"	344.159302	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1288096"	138.032702	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"31012"	243.075206	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"471343"	346.138506	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"848382"	140.011906	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1571051"	140.011906	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"957596"	148.061494	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"375209"	251.124801	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"359459"	265.140451	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1505747"	162.077151	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"972314"	170.043451	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"122923"	138.032702	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"562850"	189.564352	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1029825"	86.501052	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1253048"	181.982185	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1317680"	184.038172	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1334081"	206.020129	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"925142"	216.048886	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1302944"	252.025564	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1381472"	68.050624	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1393866"	86.0606	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"295740"	207.133876	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"688160"	310.197176	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1364146"	104.070576	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"138857"	104.070576	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"578057"	155.602226	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1050136"	52.538926	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"218036"	69.7161426666667	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"656504"	104.070576	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1175357"	35.3617093333333	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"435716"	224.160423	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"797808"	327.223723	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1690859"	121.097123	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"336950"	112.5838495	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"730466"	164.1154995	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1483193"	61.0521995	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"405153"	229.115818	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"763964"	332.179118	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1608780"	126.052518	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"321003"	115.061547	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"712330"	166.593197	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1463233"	63.529897	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1058304"	42.6890233333333	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1262173"	136.096786	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"378192"	245.089758	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"746115"	348.153058	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1553646"	142.026458	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"312283"	123.048517	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"704702"	174.580167	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1457063"	71.516867	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"243477"	248.160426	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1221653"	145.097126	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1206997"	73.052201	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"196220"	251.09776	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"630439"	354.16106	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1136012"	148.03446	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"178209"	126.052518	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"619956"	177.584168	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1123462"	74.520868	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1408079"	50.0163373333333	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1435821"	150.076046	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"230982"	131.08554	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1516857"	164.12809	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"415449"	134.039488	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"773527"	185.571138	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1668401"	82.507838	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"257106"	270.142368	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1230909"	167.079068	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1715786"	167.102593	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1182962"	57.3436513333333	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1653948"	172.057988	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"160810"	283.04564	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"598667"	386.10894	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1092542"	179.98234	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"153732"	142.026458	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"595727"	193.558108	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1081088"	90.494808	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1113202"	181.996892	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1341934"	182.084507	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1010463"	186.123676	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1529679"	187.117308	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"996129"	93.565476	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1597197"	188.031928	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1425044"	218.063438	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1152049"	114.078751	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1704880"	235.089985	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1639437"	240.04538	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1572901"	256.01932	"C02261"	"D-2-Aminobutyrate;D-2-Aminobutyric acid;D-2-Aminobutanoic acid;(R)-2-Aminobutanoic acid"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"806552"	179.0794	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M"	0
"980084"	160.06101	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"66139"	118.378990666667	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"507886"	178.072124	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"885687"	58.6858573333333	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"2076"	178.072124	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"442728"	267.611824	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"826742"	88.532424	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"88918"	357.151524	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"529936"	536.230924	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"905549"	178.072124	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"57735"	374.178071	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"499483"	553.257471	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"867442"	195.098671	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"32304"	379.133466	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"472711"	558.212866	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"850881"	200.054066	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1621141"	200.054066	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"96941"	196.060463	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"535775"	285.600163	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"931840"	106.520763	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"267559"	393.128202	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"662822"	572.207602	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1287880"	214.048802	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"30918"	395.107406	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"471143"	574.186806	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"848247"	216.028006	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1570675"	216.028006	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"956369"	224.077594	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"373496"	403.157001	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"356291"	417.172651	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1507188"	238.093251	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"971934"	246.059551	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"124125"	214.048802	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"563685"	303.588502	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1028841"	124.509102	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1253521"	257.998285	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1317425"	260.054272	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1334434"	282.036229	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"925615"	292.064986	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1303176"	328.041664	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1378667"	144.066724	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1391790"	162.0767	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"294758"	359.166076	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"688272"	538.245476	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1361341"	180.086676	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"132041"	180.086676	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"577074"	269.626376	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1049154"	90.546976	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"217052"	120.393542666667	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"656614"	180.086676	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1174738"	60.7004093333333	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"435826"	376.192623	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"797918"	555.272023	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1688782"	197.113223	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"332319"	188.5999495	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"729482"	278.1396495	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1479655"	99.0602495	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"400888"	381.148018	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"760794"	560.227418	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1606704"	202.068618	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"322206"	191.077647	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"712440"	280.617347	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1464071"	101.537947	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1057321"	68.0277233333333	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1262283"	212.112886	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"379029"	397.121958	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"744039"	576.201358	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1553391"	218.042558	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"312757"	199.064617	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"705177"	288.604317	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1458268"	109.524917	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"243588"	400.192626	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1222492"	221.113226	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1207473"	111.060251	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"196330"	403.12996	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"630427"	582.20936	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1135029"	224.05056	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"178319"	202.068618	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"622982"	291.608318	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1125760"	112.528918	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1408190"	75.3550373333333	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1435931"	226.092146	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"231094"	207.10164	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1519883"	240.14419	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"417746"	210.055588	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"775461"	299.595288	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1670697"	120.515888	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"258309"	422.174568	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1232112"	243.095168	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1714803"	243.118693	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1181979"	82.6823513333333	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1651872"	248.074088	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"159827"	435.07784	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"598656"	614.15724	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1093745"	255.99844	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"153842"	218.042558	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"591218"	307.582258	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1081198"	128.502858	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1112219"	258.012992	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1344230"	258.100607	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1016039"	262.139776	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1528696"	263.133408	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"997330"	131.573526	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1599493"	264.048028	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1426247"	294.079538	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1151066"	152.086801	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1702803"	311.106085	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1637360"	316.06148	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1573011"	332.03542	"C02262"	"D-Galactosamine;D-Chondrosamine;2-Amino-2-deoxy-D-galactose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"806662"	195.0743	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M"	0
"980194"	176.05591	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-H2O-H"	-19.01839
"66249"	129.042257333333	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M-3H"	-3.021828
"510183"	194.067024	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M-3H"	-3.021828
"885797"	64.0174906666667	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-3H"	-3.021828
"2186"	194.067024	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M-2H"	-2.014552
"442837"	291.604174	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M-2H"	-2.014552
"826488"	96.529874	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-2H"	-2.014552
"89029"	389.141324	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M-H"	-1.007276
"528589"	584.215624	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M-H"	-1.007276
"904566"	194.067024	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-H"	-1.007276
"57845"	406.167871	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M-2H+NH4"	16.019271
"497406"	601.242171	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M-2H+NH4"	16.019271
"867552"	211.093571	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-2H+NH4"	16.019271
"33019"	411.123266	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M-2H+Na"	20.974666
"473915"	606.197566	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M-2H+Na"	20.974666
"849655"	216.048966	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-2H+Na"	20.974666
"1619791"	216.048966	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Na-2H"	20.974666
"94781"	212.055363	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M-H+Cl"	33.962126
"536250"	309.592513	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M-H+Cl"	33.962126
"927618"	114.518213	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-H+Cl"	33.962126
"267346"	425.118002	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+Cl"	34.969402
"660169"	620.192302	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+Cl"	34.969402
"1287624"	230.043702	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Cl"	34.969402
"30300"	427.097206	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M-2H+K"	36.948606
"470719"	622.171506	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M-2H+K"	36.948606
"848151"	232.022906	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-2H+K"	36.948606
"1570421"	232.022906	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+K-2H"	36.948606
"954293"	240.072494	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-H+HCOOH"	44.998194
"371420"	435.146801	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+HCOOH-H"	44.998201
"358586"	449.162451	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+Hac-H"	59.013851
"1506323"	254.088151	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Hac-H"	59.013851
"970583"	262.054451	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-H+NaCOOH"	66.980151
"122411"	230.043702	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+2Cl"	69.938804
"563430"	327.580852	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+2Cl"	69.938804
"1030409"	132.506552	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2Cl"	69.938804
"1252173"	273.993185	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Br"	78.918885
"1315348"	276.049172	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Cl+HCOOH"	80.974872
"1334544"	298.031129	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Cl+NaCOOH"	102.956829
"926579"	308.059886	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M-H+CF3COOH"	112.985586
"1300976"	344.036564	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Cl+CF3COOH"	148.962264
"1381935"	160.061624	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H-2H2O"	-35.012676
"1392993"	178.0716	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H-H2O"	-17.0027
"294868"	391.155876	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+H"	1.007276
"689474"	586.230176	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+H"	1.007276
"1361451"	196.081576	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H"	1.007276
"133244"	196.081576	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+2H"	2.014552
"577184"	293.618726	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+2H"	2.014552
"1048171"	98.544426	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2H"	2.014552
"216069"	131.056809333333	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+3H"	3.021828
"655632"	196.081576	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+3H"	3.021828
"1174849"	66.0320426666667	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+3H"	3.021828
"437029"	408.182423	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+NH4"	18.033823
"795842"	603.256723	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+NH4"	18.033823
"1684518"	213.108123	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+NH4"	18.033823
"331337"	204.5948495	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+H+NH4"	19.041099
"725216"	302.1319995	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+H+NH4"	19.041099
"1477576"	107.0576995	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H+NH4"	19.041099
"397717"	413.137818	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+Na"	22.989218
"760904"	608.212118	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+Na"	22.989218
"1607907"	218.063518	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Na"	22.989218
"320128"	207.072547	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+H+Na"	23.996494
"709270"	304.609697	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+H+Na"	23.996494
"1463088"	109.535397	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H+Na"	23.996494
"1054148"	73.3593566666667	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2H+Na"	25.00377
"1263486"	228.107786	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+CH3OH+H"	33.033486
"378167"	429.111758	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+K"	38.963158
"740867"	624.186058	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+K"	38.963158
"1548397"	234.037458	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+K"	38.963158
"312867"	215.059517	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+H+K"	39.970434
"704923"	312.596667	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+H+K"	39.970434
"1458378"	117.522367	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H+K"	39.970434
"244791"	432.182426	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+ACN+H"	42.033826
"1222238"	237.108126	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+ACN+H"	42.033826
"1206854"	119.057701	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+ACN+2H"	43.041102
"195347"	435.11976	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+2Na-H"	44.97116
"629323"	630.19406	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+2Na-H"	44.97116
"1136233"	240.04546	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2Na-H"	44.97116
"178429"	218.063518	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+2Na"	45.978436
"623822"	315.600668	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+2Na"	45.978436
"1125870"	120.526368	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2Na"	45.978436
"1410487"	80.6866706666667	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H+2Na"	46.985712
"1439321"	242.087046	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H+HCOOH"	47.012746
"231932"	223.09654	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+3H2O+2H"	56.04448
"1520357"	256.13909	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+IsoProp+H"	61.06479
"416763"	226.050488	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+Na+K"	61.952376
"775571"	323.587638	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+Na+K"	61.952376
"1670807"	128.513338	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Na+K"	61.952376
"254046"	454.164368	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+ACN+Na"	64.015768
"1230035"	259.090068	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+ACN+Na"	64.015768
"1714549"	259.113593	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+NH4+HCOOH"	64.039293
"1182089"	88.0139846666667	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+3Na"	68.967654
"1651252"	264.068988	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Na+HCOOH"	68.994688
"158844"	467.06764	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+2K-H"	76.91904
"600589"	662.14194	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+2K-H"	76.91904
"1092762"	271.99334	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2K-H"	76.91904
"148483"	234.037458	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"2M+2K"	77.926316
"595217"	331.574608	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"3M+2K"	77.926316
"1078027"	136.500308	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2K"	77.926316
"1110141"	274.007892	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2K+H"	78.933592
"1344339"	274.095507	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+DMSO+H"	79.021207
"1012867"	278.134676	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2ACN+H"	83.060376
"1533180"	279.128308	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+IsoProp+Na+H"	84.054008
"994160"	139.570976	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+2ACN+2H"	84.067652
"1598510"	280.042928	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+K+HCOOH"	84.968628
"1425264"	310.074438	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+H+CF3COOH"	115.000138
"1154456"	160.084251	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+3ACN+2H"	125.094202
"1701820"	327.100985	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+NH4+CF3COOH"	132.026685
"1637470"	332.05638	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+Na+CF3COOH"	136.98208
"1573121"	348.03032	"C02264"	"D-Glucose oxime"	"C6H13NO6"	"195.0743"	"M+K+CF3COOH"	152.95602
"810052"	165.079	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M"	0
"978117"	146.06061	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"67452"	109.045390666667	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"510293"	164.071724	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"885907"	54.0190573333333	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"3389"	164.071724	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"443311"	246.611224	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"828055"	81.532224	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"88409"	329.150724	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"529792"	494.229724	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"904676"	164.071724	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"54675"	346.177271	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"495329"	511.256271	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"865596"	181.098271	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"33493"	351.132666	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"474026"	516.211666	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"850737"	186.053666	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1620633"	186.053666	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"95705"	182.060063	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"536360"	264.599563	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"929874"	99.520563	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"267824"	365.127402	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"660849"	530.206402	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1287373"	200.048402	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"30171"	367.106606	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"471154"	532.185606	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"848144"	202.027606	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1570045"	202.027606	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"956587"	210.077194	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"375786"	375.156201	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"358698"	389.171851	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1507044"	224.092851	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"973491"	232.059151	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"125317"	200.048402	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"565445"	282.587902	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1036878"	117.508902	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1255200"	243.997885	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1315459"	246.053872	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1334536"	268.035829	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"926739"	278.064586	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1302423"	314.041264	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1381682"	130.066324	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1397235"	148.0763	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"296921"	331.165276	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"691275"	496.244276	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1363747"	166.086276	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"134448"	166.086276	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"581062"	248.625776	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1051558"	83.546776	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"218365"	111.059942666667	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"657926"	166.086276	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1177872"	56.0336093333333	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"437139"	348.191823	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"799231"	513.270823	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1689003"	183.112823	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"334363"	174.5995495	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"725326"	257.1390495	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1480603"	92.0600495	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"396001"	353.147218	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"763200"	518.226218	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1610204"	188.068218	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"319145"	177.077247	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"710471"	259.616747	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1464657"	94.537747	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1056448"	63.3609233333333	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1267969"	198.112486	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"383263"	369.121158	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"739884"	534.200158	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1552149"	204.042158	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"313953"	185.064217	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"705761"	267.603717	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1458123"	102.524717	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"245995"	372.191826	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1221619"	207.112826	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1208300"	104.060051	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"196550"	375.12916	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"640128"	540.20816	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1144363"	210.05016	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"185830"	188.068218	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"627946"	270.607718	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1128897"	105.528718	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1413152"	70.6882373333333	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1442712"	212.091746	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"233135"	193.10124	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1522654"	226.14379	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"414686"	196.055188	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"773494"	278.594688	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1669459"	113.515688	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"256343"	394.173768	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1229416"	229.094768	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1714659"	229.118293	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1181106"	78.0155513333333	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1652091"	234.073688	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"159318"	407.07704	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"600699"	572.15604	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1092872"	241.99804	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"149686"	204.042158	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"592900"	286.581658	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1078137"	121.502658	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1109158"	244.012592	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1342263"	244.100207	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1012977"	248.139376	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1531104"	249.133008	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"993177"	124.573326	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1598620"	250.047628	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1425374"	280.079138	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1153473"	145.086601	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1701930"	297.105685	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1636487"	302.06108	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1575418"	318.03502	"C02265"	"D-Phenylalanine;D-alpha-Amino-beta-phenylpropionic acid"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"809070"	148.0372	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M"	0
"976041"	129.01881	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"66469"	97.6841906666667	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"504937"	147.029924	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"882739"	48.3384573333333	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"2406"	147.029924	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"443060"	221.048524	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"826341"	73.011324	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"88519"	295.067124	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"526985"	443.104324	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"904786"	147.029924	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"53693"	312.093671	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"491068"	460.130871	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"872148"	164.056471	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"32271"	317.049066	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"472193"	465.086266	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"850846"	169.011866	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1619651"	169.011866	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"96908"	165.018263	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"536469"	239.036863	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"928039"	90.999663	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"268050"	331.043802	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"660715"	479.081002	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1287729"	183.006602	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"30765"	333.023006	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"470211"	481.060206	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"847851"	184.985806	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1571005"	184.985806	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"957425"	193.035394	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"376623"	341.072601	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"357713"	355.088251	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1507883"	207.051051	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"972631"	215.017351	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"124698"	183.006602	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"564988"	257.025202	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1036220"	108.988002	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1256038"	226.956085	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1317756"	229.012072	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1334971"	250.994029	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"926808"	261.022786	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1302289"	296.999464	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1382397"	113.024524	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1397587"	131.0345	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"298124"	297.081676	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"691329"	445.118876	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1364951"	149.044476	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"137838"	149.044476	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"581278"	223.063076	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1052520"	75.025876	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"219206"	99.6987426666667	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"658036"	149.044476	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1177132"	50.3530093333333	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"437614"	314.108223	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"797154"	462.145423	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1686924"	166.071023	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"334836"	157.5577495	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"725436"	231.5763495	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1478889"	83.5391495	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"396475"	319.063618	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"758931"	467.100818	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1606667"	171.026418	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"317068"	160.035447	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"708393"	234.054047	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1464763"	86.016847	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1056558"	57.6803233333333	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1266986"	181.070686	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"383373"	335.037558	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"740722"	483.074758	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1551894"	187.000358	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"312966"	168.022417	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"704414"	242.041017	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1456045"	94.003817	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"247197"	338.108226	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1221000"	190.071026	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1208168"	95.539151	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"198847"	341.04556	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"639874"	489.08276	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1145202"	193.00836	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"186306"	171.026418	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"627324"	245.045018	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1129370"	97.007818	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1411805"	65.0076373333333	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1439542"	195.049946	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"234583"	176.05944	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1517298"	209.10199	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"418078"	179.013388	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"773969"	253.031988	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1672123"	104.994788	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"260830"	360.090168	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1237913"	212.052968	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1724612"	212.076493	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1189966"	72.3349513333333	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1657672"	217.031888	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"163439"	372.99344	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"611027"	521.03064	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1096635"	224.95624	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"153816"	187.000358	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"594105"	261.018958	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1079711"	112.981758	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1111095"	226.970792	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1347848"	227.058407	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1017466"	231.097576	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1536686"	232.091208	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"1000945"	116.052426	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1599822"	233.005828	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1427305"	263.037338	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1155770"	136.565701	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1710789"	280.063885	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1636597"	285.01928	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1576621"	300.99322	"C02266"	"D-Xylonolactone;D-Xylono-15-lactone"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"810274"	268.1172	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M"	0
"976151"	249.09881	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-H2O-H"	-19.01839
"63176"	177.737524	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M-3H"	-3.021828
"506141"	267.109924	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M-3H"	-3.021828
"882849"	88.365124	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-3H"	-3.021828
"3609"	267.109924	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M-2H"	-2.014552
"441710"	401.168524	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M-2H"	-2.014552
"828638"	133.051324	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-2H"	-2.014552
"91545"	535.227124	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M-H"	-1.007276
"531470"	803.344324	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M-H"	-1.007276
"903804"	267.109924	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-H"	-1.007276
"54898"	552.253671	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M-2H+NH4"	16.019271
"494460"	820.370871	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M-2H+NH4"	16.019271
"868979"	284.136471	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-2H+NH4"	16.019271
"31644"	557.209066	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M-2H+Na"	20.974666
"471560"	825.326266	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M-2H+Na"	20.974666
"852048"	289.091866	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-2H+Na"	20.974666
"1620489"	289.091866	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Na-2H"	20.974666
"95926"	285.098263	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M-H+Cl"	33.962126
"534796"	419.156863	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M-H+Cl"	33.962126
"927378"	151.039663	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-H+Cl"	33.962126
"268041"	571.203802	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+Cl"	34.969402
"660503"	839.321002	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+Cl"	34.969402
"1282235"	303.086602	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Cl"	34.969402
"25883"	573.183006	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M-2H+K"	36.948606
"471238"	841.300206	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M-2H+K"	36.948606
"846526"	305.065806	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-2H+K"	36.948606
"1570383"	305.065806	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+K-2H"	36.948606
"953525"	313.115394	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-H+HCOOH"	44.998194
"376492"	581.232601	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+HCOOH-H"	44.998201
"358552"	595.248251	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+Hac-H"	59.013851
"1507994"	327.131051	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Hac-H"	59.013851
"973350"	335.097351	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-H+NaCOOH"	66.980151
"124932"	303.086602	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+2Cl"	69.938804
"565223"	437.145202	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+2Cl"	69.938804
"1036087"	169.028002	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2Cl"	69.938804
"1256637"	347.036085	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Br"	78.918885
"1318232"	349.092072	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Cl+HCOOH"	80.974872
"1333541"	371.074029	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Cl+NaCOOH"	102.956829
"926057"	381.102786	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M-H+CF3COOH"	112.985586
"1301306"	417.079464	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Cl+CF3COOH"	148.962264
"1380806"	233.104524	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H-2H2O"	-35.012676
"1396604"	251.1145	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H-H2O"	-17.0027
"297142"	537.241676	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+H"	1.007276
"691362"	805.358876	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+H"	1.007276
"1363968"	269.124476	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H"	1.007276
"139650"	269.124476	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+2H"	2.014552
"578609"	403.183076	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+2H"	2.014552
"1052145"	135.065876	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2H"	2.014552
"217493"	179.752076	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+3H"	3.021828
"655960"	269.124476	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+3H"	3.021828
"1174084"	90.379676	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+3H"	3.021828
"434075"	554.268223	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+NH4"	18.033823
"791792"	822.385423	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+NH4"	18.033823
"1690313"	286.151023	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+NH4"	18.033823
"338593"	277.6377495	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+H+NH4"	19.041099
"726640"	411.6963495	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+H+NH4"	19.041099
"1480823"	143.5791495	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H+NH4"	19.041099
"396952"	559.223618	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+Na"	22.989218
"761229"	827.340818	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+Na"	22.989218
"1610421"	291.106418	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Na"	22.989218
"320460"	280.115447	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+H+Na"	23.996494
"711055"	414.174047	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+H+Na"	23.996494
"1467063"	146.056847	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H+Na"	23.996494
"1059950"	97.70699	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2H+Na"	25.00377
"1262721"	301.150686	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+CH3OH+H"	33.033486
"383483"	575.197558	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+K"	38.963158
"740832"	843.314758	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+K"	38.963158
"1547629"	307.080358	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+K"	38.963158
"313642"	288.102417	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+H+K"	39.970434
"703791"	422.161017	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+H+K"	39.970434
"1458341"	154.043817	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H+K"	39.970434
"248036"	578.268226	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+ACN+H"	42.033826
"1221108"	310.151026	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+ACN+H"	42.033826
"1207180"	155.579151	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+ACN+2H"	43.041102
"194583"	581.20556	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+2Na-H"	44.97116
"638523"	849.32276	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+2Na-H"	44.97116
"1144217"	313.08836	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2Na-H"	44.97116
"185320"	291.106418	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+2Na"	45.978436
"625975"	425.165018	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+2Na"	45.978436
"1122919"	157.047818	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2Na"	45.978436
"1413774"	105.034304	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H+2Na"	46.985712
"1436735"	315.129946	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H+HCOOH"	47.012746
"230439"	296.13944	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+3H2O+2H"	56.04448
"1512305"	329.18199	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+IsoProp+H"	61.06479
"411990"	299.093388	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+Na+K"	61.952376
"771162"	433.151988	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+Na+K"	61.952376
"1670409"	165.034788	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Na+K"	61.952376
"253281"	600.250168	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+ACN+Na"	64.015768
"1228544"	332.132968	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+ACN+Na"	64.015768
"1714512"	332.156493	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+NH4+HCOOH"	64.039293
"1180233"	112.361618	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+3Na"	68.967654
"1655960"	337.111888	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Na+HCOOH"	68.994688
"165738"	613.15344	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+2K-H"	76.91904
"610770"	881.27064	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+2K-H"	76.91904
"1097836"	345.03624	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2K-H"	76.91904
"153929"	307.080358	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"2M+2K"	77.926316
"595674"	441.138958	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"3M+2K"	77.926316
"1082009"	173.021758	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2K"	77.926316
"1113399"	347.050792	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2K+H"	78.933592
"1346498"	347.138407	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+DMSO+H"	79.021207
"1017943"	351.177576	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2ACN+H"	83.060376
"1537163"	352.171208	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+IsoProp+Na+H"	84.054008
"1002882"	176.092426	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+2ACN+2H"	84.067652
"1599932"	353.085828	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+K+HCOOH"	84.968628
"1426686"	383.117338	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+H+CF3COOH"	115.000138
"1156973"	196.605701	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+3ACN+2H"	125.094202
"1709806"	400.143885	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+NH4+CF3COOH"	132.026685
"1637800"	405.09928	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+Na+CF3COOH"	136.98208
"1576731"	421.07322	"C02267"	"Deoxycoformycin;Pentostatin"	"C11H16N4O4"	"268.1172"	"M+K+CF3COOH"	152.95602
"802730"	83.9534	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M"	0
"977353"	64.93501	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-H2O-H"	-19.01839
"63202"	54.9616573333333	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M-3H"	-3.021828
"505155"	82.946124	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M-3H"	-3.021828
"880275"	26.9771906666667	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-3H"	-3.021828
"11386"	82.946124	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M-2H"	-2.014552
"449851"	124.922824	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M-2H"	-2.014552
"825468"	40.969424	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-2H"	-2.014552
"86551"	166.899524	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M-H"	-1.007276
"527204"	250.852924	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M-H"	-1.007276
"895891"	82.946124	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-H"	-1.007276
"52820"	183.926071	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M-2H+NH4"	16.019271
"487174"	267.879471	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M-2H+NH4"	16.019271
"864229"	99.972671	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-2H+NH4"	16.019271
"31477"	188.881466	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M-2H+Na"	20.974666
"471675"	272.834866	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M-2H+Na"	20.974666
"848584"	104.928066	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-2H+Na"	20.974666
"1618610"	104.928066	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Na-2H"	20.974666
"94378"	100.934463	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M-H+Cl"	33.962126
"535602"	142.911163	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M-H+Cl"	33.962126
"927136"	58.957763	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-H+Cl"	33.962126
"282264"	202.876202	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+Cl"	34.969402
"675596"	286.829602	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+Cl"	34.969402
"1288020"	118.922802	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Cl"	34.969402
"26724"	204.855406	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M-2H+K"	36.948606
"471032"	288.808806	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M-2H+K"	36.948606
"845549"	120.902006	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-2H+K"	36.948606
"1569046"	120.902006	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+K-2H"	36.948606
"945990"	128.951594	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-H+HCOOH"	44.998194
"371498"	212.905001	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+HCOOH-H"	44.998201
"358297"	226.920651	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+Hac-H"	59.013851
"1507494"	142.967251	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Hac-H"	59.013851
"972120"	150.933551	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-H+NaCOOH"	66.980151
"122123"	118.922802	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+2Cl"	69.938804
"554028"	160.899502	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+2Cl"	69.938804
"1028296"	76.946102	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2Cl"	69.938804
"1256747"	162.872285	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Br"	78.918885
"1317614"	164.928272	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Cl+HCOOH"	80.974872
"1331828"	186.910229	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Cl+NaCOOH"	102.956829
"926618"	196.938986	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M-H+CF3COOH"	112.985586
"1302152"	232.915664	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Cl+CF3COOH"	148.962264
"1379218"	48.940724	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H-2H2O"	-35.012676
"1396714"	66.9507	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H-H2O"	-17.0027
"295308"	168.914076	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+H"	1.007276
"689916"	252.867476	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+H"	1.007276
"1355337"	84.960676	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H"	1.007276
"133693"	84.960676	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+2H"	2.014552
"572160"	126.937376	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+2H"	2.014552
"1049707"	42.983976	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2H"	2.014552
"217364"	56.9762093333333	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+3H"	3.021828
"656073"	84.960676	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+3H"	3.021828
"1172011"	28.9917426666667	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+3H"	3.021828
"427995"	185.940623	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+NH4"	18.033823
"788261"	269.894023	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+NH4"	18.033823
"1683134"	101.987223	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+NH4"	18.033823
"332141"	93.4739495	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+H+NH4"	19.041099
"727846"	135.4506495	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+H+NH4"	19.041099
"1484948"	51.4972495	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H+NH4"	19.041099
"398160"	190.896018	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+Na"	22.989218
"759157"	274.849418	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+Na"	22.989218
"1606161"	106.942618	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Na"	22.989218
"315467"	95.951647	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+H+Na"	23.996494
"714089"	137.928347	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+H+Na"	23.996494
"1469005"	53.974947	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H+Na"	23.996494
"1060064"	36.3190566666667	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2H+Na"	25.00377
"1270491"	116.986886	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+CH3OH+H"	33.033486
"391254"	206.869958	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+K"	38.963158
"752252"	290.823358	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+K"	38.963158
"1552848"	122.916558	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+K"	38.963158
"314077"	103.938617	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+H+K"	39.970434
"706997"	145.915317	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+H+K"	39.970434
"1460281"	61.961917	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H+K"	39.970434
"251159"	209.940626	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+ACN+H"	42.033826
"1224508"	125.987226	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+ACN+H"	42.033826
"1207293"	63.497251	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+ACN+2H"	43.041102
"197979"	212.87796	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+2Na-H"	44.97116
"635352"	296.83136	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+2Na-H"	44.97116
"1143234"	128.92456	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2Na-H"	44.97116
"185429"	106.942618	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+2Na"	45.978436
"622803"	148.919318	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+2Na"	45.978436
"1118289"	64.965918	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2Na"	45.978436
"1401812"	43.6463706666667	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H+2Na"	46.985712
"1434293"	130.966146	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H+HCOOH"	47.012746
"225446"	111.97564	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+3H2O+2H"	56.04448
"1509376"	145.01819	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+IsoProp+H"	61.06479
"409913"	114.929588	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+Na+K"	61.952376
"770909"	156.906288	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+Na+K"	61.952376
"1669060"	72.952888	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Na+K"	61.952376
"254853"	231.922568	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+ACN+Na"	64.015768
"1227562"	147.969168	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+ACN+Na"	64.015768
"1723740"	147.992693	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+NH4+HCOOH"	64.039293
"1190188"	50.9736846666667	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+3Na"	68.967654
"1661174"	152.948088	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Na+HCOOH"	68.994688
"170955"	244.82584	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+2K-H"	76.91904
"610880"	328.77924	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+2K-H"	76.91904
"1095758"	160.87244	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2K-H"	76.91904
"155126"	122.916558	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"2M+2K"	77.926316
"594328"	164.893258	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"3M+2K"	77.926316
"1081024"	80.939858	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2K"	77.926316
"1114962"	162.886992	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2K+H"	78.933592
"1349888"	162.974607	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+DMSO+H"	79.021207
"1013310"	167.013776	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2ACN+H"	83.060376
"1536908"	168.007408	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+IsoProp+Na+H"	84.054008
"1002990"	84.010526	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+2ACN+2H"	84.067652
"1600045"	168.922028	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+K+HCOOH"	84.968628
"1427526"	198.953538	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+H+CF3COOH"	115.000138
"1161458"	104.523801	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+3ACN+2H"	125.094202
"1705542"	215.980085	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+NH4+CF3COOH"	132.026685
"1642288"	220.93548	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+Na+CF3COOH"	136.98208
"1576846"	236.90942	"C02271"	"Dichloromethane;Methylene chloride;Methylene dichloride"	"CH2Cl2"	"83.9534"	"M+K+CF3COOH"	152.95602
"801946"	90.0503	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M"	0
"974908"	71.03191	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-H2O-H"	-19.01839
"63637"	59.0262573333333	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M-3H"	-3.021828
"504171"	89.043024	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M-3H"	-3.021828
"880269"	29.0094906666667	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-3H"	-3.021828
"11496"	89.043024	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M-2H"	-2.014552
"449961"	134.068174	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M-2H"	-2.014552
"825578"	44.017874	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-2H"	-2.014552
"86661"	179.093324	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M-H"	-1.007276
"527314"	269.143624	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M-H"	-1.007276
"896852"	89.043024	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-H"	-1.007276
"54023"	196.119871	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M-2H+NH4"	16.019271
"487545"	286.170171	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M-2H+NH4"	16.019271
"864489"	106.069571	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-2H+NH4"	16.019271
"31985"	201.075266	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M-2H+Na"	20.974666
"472032"	291.125566	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M-2H+Na"	20.974666
"848661"	111.024966	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-2H+Na"	20.974666
"1618686"	111.024966	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Na-2H"	20.974666
"94482"	107.031363	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M-H+Cl"	33.962126
"535712"	152.056513	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M-H+Cl"	33.962126
"927562"	62.006213	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-H+Cl"	33.962126
"280551"	215.070002	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+Cl"	34.969402
"674999"	305.120302	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+Cl"	34.969402
"1287199"	125.019702	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Cl"	34.969402
"29020"	217.049206	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M-2H+K"	36.948606
"469319"	307.099506	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M-2H+K"	36.948606
"846752"	126.998906	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-2H+K"	36.948606
"1568790"	126.998906	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+K-2H"	36.948606
"946100"	135.048494	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-H+HCOOH"	44.998194
"370878"	225.098801	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+HCOOH-H"	44.998201
"357314"	239.114451	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+Hac-H"	59.013851
"1505418"	149.064151	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Hac-H"	59.013851
"972838"	157.030451	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-H+NaCOOH"	66.980151
"124178"	125.019702	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+2Cl"	69.938804
"554138"	170.044852	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+2Cl"	69.938804
"1028406"	79.994552	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2Cl"	69.938804
"1253815"	168.969185	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Br"	78.918885
"1319546"	171.025172	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Cl+HCOOH"	80.974872
"1331210"	193.007129	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Cl+NaCOOH"	102.956829
"926524"	203.035886	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M-H+CF3COOH"	112.985586
"1301169"	239.012564	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Cl+CF3COOH"	148.962264
"1379328"	55.037624	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H-2H2O"	-35.012676
"1396461"	73.0476	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H-H2O"	-17.0027
"294325"	181.107876	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+H"	1.007276
"688933"	271.158176	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+H"	1.007276
"1352894"	91.057576	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H"	1.007276
"135989"	91.057576	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+2H"	2.014552
"574455"	136.082726	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+2H"	2.014552
"1051397"	46.032426	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2H"	2.014552
"217474"	61.0408093333333	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+3H"	3.021828
"655090"	91.057576	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+3H"	3.021828
"1171027"	31.0240426666667	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+3H"	3.021828
"429928"	198.134423	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+NH4"	18.033823
"787278"	288.184723	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+NH4"	18.033823
"1682878"	108.084123	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+NH4"	18.033823
"332615"	99.5708495	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+H+NH4"	19.041099
"725401"	144.5959995	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+H+NH4"	19.041099
"1482871"	54.5456995	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H+NH4"	19.041099
"394987"	203.089818	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+Na"	22.989218
"757078"	293.140118	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+Na"	22.989218
"1605178"	113.039518	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Na"	22.989218
"315573"	102.048547	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+H+Na"	23.996494
"710917"	147.073697	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+H+Na"	23.996494
"1464734"	57.023397	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H+Na"	23.996494
"1059079"	38.3513566666667	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2H+Na"	25.00377
"1266227"	123.083786	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+CH3OH+H"	33.033486
"386990"	219.063758	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+K"	38.963158
"753216"	309.114058	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+K"	38.963158
"1554783"	129.013458	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+K"	38.963158
"313902"	110.035517	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+H+K"	39.970434
"706080"	155.060667	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+H+K"	39.970434
"1459660"	65.010367	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H+K"	39.970434
"250088"	222.134426	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+ACN+H"	42.033826
"1223524"	132.084126	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+ACN+H"	42.033826
"1206311"	66.545701	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+ACN+2H"	43.041102
"201369"	225.07176	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+2Na-H"	44.97116
"635462"	315.12206	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+2Na-H"	44.97116
"1144437"	135.02146	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2Na-H"	44.97116
"184446"	113.039518	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+2Na"	45.978436
"618539"	158.064668	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+2Na"	45.978436
"1118398"	68.014368	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2Na"	45.978436
"1401922"	45.6786706666667	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H+2Na"	46.985712
"1435496"	137.063046	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H+HCOOH"	47.012746
"225192"	118.07254	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+3H2O+2H"	56.04448
"1511793"	151.11509	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+IsoProp+H"	61.06479
"411480"	121.026488	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+Na+K"	61.952376
"770290"	166.051638	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+Na+K"	61.952376
"1668077"	76.001338	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Na+K"	61.952376
"256785"	244.116368	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+ACN+Na"	64.015768
"1229858"	154.066068	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+ACN+Na"	64.015768
"1724579"	154.089593	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+NH4+HCOOH"	64.039293
"1187382"	53.0059846666667	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+3Na"	68.967654
"1655451"	159.044988	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Na+HCOOH"	68.994688
"168515"	257.01964	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+2K-H"	76.91904
"610626"	347.06994	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+2K-H"	76.91904
"1095504"	166.96934	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2K-H"	76.91904
"153779"	129.013458	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"2M+2K"	77.926316
"594070"	174.038608	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"3M+2K"	77.926316
"1080404"	83.988308	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2K"	77.926316
"1113250"	168.983892	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2K+H"	78.933592
"1348176"	169.071507	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+DMSO+H"	79.021207
"1013420"	173.110676	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2ACN+H"	83.060376
"1535196"	174.104308	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+IsoProp+Na+H"	84.054008
"1000184"	87.058976	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+2ACN+2H"	84.067652
"1599062"	175.018928	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+K+HCOOH"	84.968628
"1426907"	205.050438	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+H+CF3COOH"	115.000138
"1159382"	107.572251	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+3ACN+2H"	125.094202
"1704559"	222.076985	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+NH4+CF3COOH"	132.026685
"1642398"	227.03238	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+Na+CF3COOH"	136.98208
"1576956"	243.00632	"C02272"	"Diethyl sulfide;Ethyl sulfide;Ethyl thioether;Diethyl thioether"	"C4H10S"	"90.0503"	"M+K+CF3COOH"	152.95602
"804045"	370.0747	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M"	0
"975391"	351.05631	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-H2O-H"	-19.01839
"62966"	245.709190666667	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M-3H"	-3.021828
"505379"	369.067424	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M-3H"	-3.021828
"883184"	122.350957333333	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-3H"	-3.021828
"11606"	369.067424	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M-2H"	-2.014552
"454081"	554.104774	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M-2H"	-2.014552
"828969"	184.030074	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-2H"	-2.014552
"91147"	739.142124	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M-H"	-1.007276
"527426"	1109.216824	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M-H"	-1.007276
"900853"	369.067424	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-H"	-1.007276
"53041"	756.168671	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M-2H+NH4"	16.019271
"488344"	1126.243371	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M-2H+NH4"	16.019271
"864439"	386.093971	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-2H+NH4"	16.019271
"32097"	761.124066	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M-2H+Na"	20.974666
"472879"	1131.198766	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M-2H+Na"	20.974666
"848977"	391.049366	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-2H+Na"	20.974666
"1618994"	391.049366	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Na-2H"	20.974666
"95160"	387.055763	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M-H+Cl"	33.962126
"535822"	572.093113	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M-H+Cl"	33.962126
"928363"	202.018413	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-H+Cl"	33.962126
"277743"	775.118802	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+Cl"	34.969402
"672351"	1145.193502	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+Cl"	34.969402
"1287067"	405.044102	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Cl"	34.969402
"25122"	777.098006	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M-2H+K"	36.948606
"470158"	1147.172706	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M-2H+K"	36.948606
"847713"	407.023306	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-2H+K"	36.948606
"1568173"	407.023306	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+K-2H"	36.948606
"955322"	415.072894	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-H+HCOOH"	44.998194
"370989"	785.147601	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+HCOOH-H"	44.998201
"357789"	799.163251	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+Hac-H"	59.013851
"1505529"	429.088551	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Hac-H"	59.013851
"971975"	437.054851	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-H+NaCOOH"	66.980151
"123437"	405.044102	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+2Cl"	69.938804
"564091"	590.081452	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+2Cl"	69.938804
"1028516"	220.006752	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2Cl"	69.938804
"1254289"	448.993585	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Br"	78.918885
"1318197"	451.049572	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Cl+HCOOH"	80.974872
"1329132"	473.031529	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Cl+NaCOOH"	102.956829
"925660"	483.060286	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M-H+CF3COOH"	112.985586
"1301278"	519.036964	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Cl+CF3COOH"	148.962264
"1379439"	335.062024	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H-2H2O"	-35.012676
"1396935"	353.072	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H-H2O"	-17.0027
"296622"	741.156676	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+H"	1.007276
"691229"	1111.231376	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+H"	1.007276
"1354463"	371.081976	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H"	1.007276
"136098"	371.081976	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+2H"	2.014552
"575659"	556.119326	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+2H"	2.014552
"1051750"	186.044626	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2H"	2.014552
"219048"	247.723742666667	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+3H"	3.021828
"657267"	371.081976	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+3H"	3.021828
"1176485"	124.365509333333	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+3H"	3.021828
"427486"	758.183223	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+NH4"	18.033823
"786658"	1128.257923	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+NH4"	18.033823
"1684083"	388.108523	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+NH4"	18.033823
"331996"	379.5952495	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+H+NH4"	19.041099
"723689"	564.6325995	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+H+NH4"	19.041099
"1478602"	194.5578995	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H+NH4"	19.041099
"395828"	763.138618	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+Na"	22.989218
"757188"	1133.213318	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+Na"	22.989218
"1605286"	393.063918	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Na"	22.989218
"316413"	382.072947	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+H+Na"	23.996494
"712119"	567.110297	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+H+Na"	23.996494
"1464116"	197.035597	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H+Na"	23.996494
"1055904"	131.692823333333	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2H+Na"	25.00377
"1266334"	403.108186	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+CH3OH+H"	33.033486
"388561"	779.112558	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+K"	38.963158
"749554"	1149.187258	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+K"	38.963158
"1553797"	409.037858	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+K"	38.963158
"312793"	390.059917	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+H+K"	39.970434
"704492"	575.097267	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+H+K"	39.970434
"1458677"	205.022567	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H+K"	39.970434
"250687"	782.183226	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+ACN+H"	42.033826
"1224486"	412.108526	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+ACN+H"	42.033826
"1206420"	206.557901	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+ACN+2H"	43.041102
"201479"	785.12056	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+2Na-H"	44.97116
"641040"	1155.19526	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+2Na-H"	44.97116
"1137986"	415.04586	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2Na-H"	44.97116
"180182"	393.063918	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+2Na"	45.978436
"624115"	578.101268	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+2Na"	45.978436
"1119238"	208.026568	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2Na"	45.978436
"1402760"	139.020137333333	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H+2Na"	46.985712
"1433417"	417.087446	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H+HCOOH"	47.012746
"223479"	398.09694	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+3H2O+2H"	56.04448
"1510446"	431.13949	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+IsoProp+H"	61.06479
"411591"	401.050888	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+Na+K"	61.952376
"772587"	586.088238	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+Na+K"	61.952376
"1669283"	216.013538	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Na+K"	61.952376
"261271"	804.165168	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+ACN+Na"	64.015768
"1237261"	434.090468	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+ACN+Na"	64.015768
"1725782"	434.113993	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+NH4+HCOOH"	64.039293
"1185671"	146.347451333333	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+3Na"	68.967654
"1660302"	439.069388	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Na+HCOOH"	68.994688
"164980"	817.06844	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+2K-H"	76.91904
"608184"	1187.14314	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+2K-H"	76.91904
"1093425"	446.99374	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2K-H"	76.91904
"148055"	409.037858	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"2M+2K"	77.926316
"591626"	594.075208	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"3M+2K"	77.926316
"1081244"	224.000508	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2K"	77.926316
"1112995"	449.008292	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2K+H"	78.933592
"1345733"	449.095907	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+DMSO+H"	79.021207
"1019003"	453.135076	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2ACN+H"	83.060376
"1536399"	454.128708	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+IsoProp+Na+H"	84.054008
"1001387"	227.071176	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+2ACN+2H"	84.067652
"1599901"	455.043328	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+K+HCOOH"	84.968628
"1423737"	485.074838	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+H+CF3COOH"	115.000138
"1155120"	247.584451	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+3ACN+2H"	125.094202
"1709044"	502.101385	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+NH4+CF3COOH"	132.026685
"1647978"	507.05678	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+Na+CF3COOH"	136.98208
"1580348"	523.03072	"C02273"	"Digalacturonate;Digalacturonic acid"	"C12H18O13"	"370.0747"	"M+K+CF3COOH"	152.95602
"807435"	148.0524	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M"	0
"980969"	129.03401	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-H2O-H"	-19.01839
"62982"	97.694324	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M-3H"	-3.021828
"505487"	147.045124	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M-3H"	-3.021828
"883294"	48.343524	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-3H"	-3.021828
"8433"	147.045124	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M-2H"	-2.014552
"449087"	221.071324	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M-2H"	-2.014552
"824701"	73.018924	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-2H"	-2.014552
"85788"	295.097524	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M-H"	-1.007276
"526441"	443.149924	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M-H"	-1.007276
"898411"	147.045124	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-H"	-1.007276
"50963"	312.124071	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M-2H+NH4"	16.019271
"488701"	460.176471	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M-2H+NH4"	16.019271
"865158"	164.071671	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-2H+NH4"	16.019271
"34158"	317.079466	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M-2H+Na"	20.974666
"480158"	465.131866	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M-2H+Na"	20.974666
"855772"	169.027066	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-2H+Na"	20.974666
"1619962"	169.027066	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Na-2H"	20.974666
"96002"	165.033463	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M-H+Cl"	33.962126
"537023"	239.059663	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M-H+Cl"	33.962126
"930538"	91.007263	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-H+Cl"	33.962126
"281133"	331.074202	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+Cl"	34.969402
"675465"	479.126602	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+Cl"	34.969402
"1288313"	183.021802	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Cl"	34.969402
"25232"	333.053406	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M-2H+K"	36.948606
"468079"	481.105806	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M-2H+K"	36.948606
"845880"	185.001006	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-2H+K"	36.948606
"1567916"	185.001006	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+K-2H"	36.948606
"950692"	193.050594	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-H+HCOOH"	44.998194
"370001"	341.103001	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+HCOOH-H"	44.998201
"354978"	355.118651	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+Hac-H"	59.013851
"1501623"	207.066251	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Hac-H"	59.013851
"968070"	215.032551	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-H+NaCOOH"	66.980151
"116977"	183.021802	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+2Cl"	69.938804
"560920"	257.048002	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+2Cl"	69.938804
"1028626"	108.995602	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2Cl"	69.938804
"1255858"	226.971285	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Br"	78.918885
"1312840"	229.027272	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Cl+HCOOH"	80.974872
"1329242"	251.009229	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Cl+NaCOOH"	102.956829
"924674"	261.037986	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M-H+CF3COOH"	112.985586
"1302478"	297.014664	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Cl+CF3COOH"	148.962264
"1379545"	113.039724	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H-2H2O"	-35.012676
"1394857"	131.0497	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H-H2O"	-17.0027
"297460"	297.112076	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+H"	1.007276
"688790"	445.164476	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+H"	1.007276
"1365505"	149.059676	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H"	1.007276
"138759"	149.059676	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+2H"	2.014552
"579047"	223.085876	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+2H"	2.014552
"1051127"	75.033476	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2H"	2.014552
"216839"	99.708876	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+3H"	3.021828
"657498"	149.059676	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+3H"	3.021828
"1175624"	50.358076	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+3H"	3.021828
"431969"	314.138623	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+NH4"	18.033823
"791144"	462.191023	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+NH4"	18.033823
"1689663"	166.086223	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+NH4"	18.033823
"331013"	157.5729495	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+H+NH4"	19.041099
"725258"	231.5991495	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+H+NH4"	19.041099
"1480174"	83.5467495	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H+NH4"	19.041099
"395574"	319.094018	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+Na"	22.989218
"759486"	467.146418	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+Na"	22.989218
"1605397"	171.041618	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Na"	22.989218
"315065"	160.050647	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+H+Na"	23.996494
"712231"	234.076847	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+H+Na"	23.996494
"1463861"	86.024447	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H+Na"	23.996494
"1056014"	57.68539	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2H+Na"	25.00377
"1266444"	181.085886	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+CH3OH+H"	33.033486
"389034"	335.067958	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+K"	38.963158
"750393"	483.120358	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+K"	38.963158
"1554643"	187.015558	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+K"	38.963158
"313996"	168.037617	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+H+K"	39.970434
"705332"	242.063817	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+H+K"	39.970434
"1457696"	94.011417	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H+K"	39.970434
"250965"	338.138626	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+ACN+H"	42.033826
"1224475"	190.086226	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+ACN+H"	42.033826
"1207623"	95.546751	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+ACN+2H"	43.041102
"197216"	341.07596	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+2Na-H"	44.97116
"641879"	489.12836	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+2Na-H"	44.97116
"1139189"	193.02356	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2Na-H"	44.97116
"181386"	171.041618	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+2Na"	45.978436
"628119"	245.067818	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+2Na"	45.978436
"1120441"	97.015418	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2Na"	45.978436
"1404693"	65.012704	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H+2Na"	46.985712
"1433894"	195.065146	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H+HCOOH"	47.012746
"224318"	176.07464	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+3H2O+2H"	56.04448
"1510555"	209.11719	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+IsoProp+H"	61.06479
"411336"	179.028588	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+Na+K"	61.952376
"775978"	253.054788	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+Na+K"	61.952376
"1669757"	105.002388	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Na+K"	61.952376
"259559"	360.120568	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+ACN+Na"	64.015768
"1234090"	212.068168	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+ACN+Na"	64.015768
"1720060"	212.091693	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+NH4+HCOOH"	64.039293
"1185780"	72.340018	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+3Na"	68.967654
"1657132"	217.047088	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Na+HCOOH"	68.994688
"163995"	373.02384	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+2K-H"	76.91904
"602825"	521.07624	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+2K-H"	76.91904
"1087704"	224.97144	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2K-H"	76.91904
"144156"	187.015558	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"2M+2K"	77.926316
"585541"	261.041758	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"3M+2K"	77.926316
"1079531"	112.989358	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2K"	77.926316
"1110553"	226.985992	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2K+H"	78.933592
"1347667"	227.073607	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+DMSO+H"	79.021207
"1018019"	231.112776	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2ACN+H"	83.060376
"1536147"	232.106408	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+IsoProp+Na+H"	84.054008
"1002595"	116.060026	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+2ACN+2H"	84.067652
"1599282"	233.021028	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+K+HCOOH"	84.968628
"1422753"	263.052538	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+H+CF3COOH"	115.000138
"1156323"	136.573301	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+3ACN+2H"	125.094202
"1708060"	280.079085	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+NH4+CF3COOH"	132.026685
"1645901"	285.03448	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+Na+CF3COOH"	136.98208
"1580458"	301.00842	"C02274"	"Dihydrocoumarin;34-Dihydrocoumarin"	"C9H8O2"	"148.0524"	"M+K+CF3COOH"	152.95602
"802319"	186.1984	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M"	0
"975609"	167.18001	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-H2O-H"	-19.01839
"63973"	123.124990666667	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M-3H"	-3.021828
"507782"	185.191124	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M-3H"	-3.021828
"883404"	61.0588573333333	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-3H"	-3.021828
"8543"	185.191124	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M-2H"	-2.014552
"449197"	278.290324	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M-2H"	-2.014552
"824811"	92.091924	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-2H"	-2.014552
"85898"	371.389524	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M-H"	-1.007276
"525458"	557.587924	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M-H"	-1.007276
"899250"	185.191124	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-H"	-1.007276
"53260"	388.416071	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M-2H+NH4"	16.019271
"488811"	574.614471	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M-2H+NH4"	16.019271
"864580"	202.217671	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-2H+NH4"	16.019271
"33175"	393.371466	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M-2H+Na"	20.974666
"481361"	579.569866	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M-2H+Na"	20.974666
"855883"	207.173066	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-2H+Na"	20.974666
"1619951"	207.173066	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Na-2H"	20.974666
"95866"	203.179463	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M-H+Cl"	33.962126
"535066"	296.278663	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M-H+Cl"	33.962126
"929556"	110.080263	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-H+Cl"	33.962126
"282217"	407.366202	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+Cl"	34.969402
"675247"	593.564602	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+Cl"	34.969402
"1288455"	221.167802	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Cl"	34.969402
"26436"	409.345406	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M-2H+K"	36.948606
"470374"	595.543806	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M-2H+K"	36.948606
"845990"	223.147006	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-2H+K"	36.948606
"1567297"	223.147006	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+K-2H"	36.948606
"950802"	231.196594	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-H+HCOOH"	44.998194
"371204"	417.395001	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+HCOOH-H"	44.998201
"353995"	431.410651	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+Hac-H"	59.013851
"1500640"	245.212251	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Hac-H"	59.013851
"968180"	253.178551	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-H+NaCOOH"	66.980151
"114900"	221.167802	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+2Cl"	69.938804
"557750"	314.267002	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+2Cl"	69.938804
"1026549"	128.068602	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2Cl"	69.938804
"1253782"	265.117285	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Br"	78.918885
"1316229"	267.173272	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Cl+HCOOH"	80.974872
"1322791"	289.155229	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Cl+NaCOOH"	102.956829
"918223"	299.183986	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M-H+CF3COOH"	112.985586
"1301495"	335.160664	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Cl+CF3COOH"	148.962264
"1379655"	151.185724	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H-2H2O"	-35.012676
"1394967"	169.1957	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H-H2O"	-17.0027
"297206"	373.404076	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+H"	1.007276
"687078"	559.602476	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+H"	1.007276
"1360147"	187.205676	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H"	1.007276
"138503"	187.205676	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+2H"	2.014552
"579157"	280.304876	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+2H"	2.014552
"1049780"	94.106476	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2H"	2.014552
"216585"	125.139542666667	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+3H"	3.021828
"656516"	187.205676	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+3H"	3.021828
"1176462"	63.0734093333333	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+3H"	3.021828
"432079"	390.430623	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+NH4"	18.033823
"793442"	576.629023	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+NH4"	18.033823
"1690865"	204.232223	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+NH4"	18.033823
"331490"	195.7189495	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+H+NH4"	19.041099
"726827"	288.8181495	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+H+NH4"	19.041099
"1479920"	102.6197495	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H+NH4"	19.041099
"398601"	395.386018	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+Na"	22.989218
"761783"	581.584418	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+Na"	22.989218
"1605507"	209.187618	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Na"	22.989218
"314810"	198.196647	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+H+Na"	23.996494
"712341"	291.295847	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+H+Na"	23.996494
"1466161"	105.097447	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H+Na"	23.996494
"1055396"	70.4007233333333	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2H+Na"	25.00377
"1265461"	219.231886	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+CH3OH+H"	33.033486
"389509"	411.359958	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+K"	38.963158
"750867"	597.558358	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+K"	38.963158
"1555359"	225.161558	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+K"	38.963158
"313378"	206.183617	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+H+K"	39.970434
"707079"	299.282817	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+H+K"	39.970434
"1460721"	113.084417	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H+K"	39.970434
"250994"	414.430626	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+ACN+H"	42.033826
"1224951"	228.232226	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+ACN+H"	42.033826
"1209072"	114.619751	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+ACN+2H"	43.041102
"195139"	417.36796	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+2Na-H"	44.97116
"642353"	603.56636	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+2Na-H"	44.97116
"1137112"	231.16956	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2Na-H"	44.97116
"181496"	209.187618	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+2Na"	45.978436
"627864"	302.286818	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+2Na"	45.978436
"1123466"	116.088418	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2Na"	45.978436
"1405896"	77.7280373333333	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H+2Na"	46.985712
"1435097"	233.211146	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H+HCOOH"	47.012746
"224428"	214.22064	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+3H2O+2H"	56.04448
"1512851"	247.26319	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+IsoProp+H"	61.06479
"411082"	217.174588	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+Na+K"	61.952376
"773536"	310.273788	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+Na+K"	61.952376
"1670961"	124.075388	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Na+K"	61.952376
"261491"	436.412568	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+ACN+Na"	64.015768
"1233470"	250.214168	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+ACN+Na"	64.015768
"1717254"	250.237693	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+NH4+HCOOH"	64.039293
"1184433"	85.0553513333333	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+3Na"	68.967654
"1657242"	255.193088	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Na+HCOOH"	68.994688
"161918"	449.31584	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+2K-H"	76.91904
"603664"	635.51424	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+2K-H"	76.91904
"1087086"	263.11744	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2K-H"	76.91904
"144996"	225.161558	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"2M+2K"	77.926316
"587838"	318.260758	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"3M+2K"	77.926316
"1080370"	132.062358	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2K"	77.926316
"1110663"	265.131992	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2K+H"	78.933592
"1347777"	265.219607	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+DMSO+H"	79.021207
"1018129"	269.258776	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2ACN+H"	83.060376
"1535892"	270.252408	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+IsoProp+Na+H"	84.054008
"1003433"	135.133026	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+2ACN+2H"	84.067652
"1599392"	271.167028	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+K+HCOOH"	84.968628
"1423956"	301.198538	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+H+CF3COOH"	115.000138
"1155340"	155.646301	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+3ACN+2H"	125.094202
"1708170"	318.225085	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+NH4+CF3COOH"	132.026685
"1644918"	323.18048	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+Na+CF3COOH"	136.98208
"1580568"	339.15442	"C02277"	"1-Dodecanol;Dodecylalcohol;Dodecyl alcohol;Lauryl alcohol"	"C12H26O"	"186.1984"	"M+K+CF3COOH"	152.95602
"805467"	184.1827	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M"	0
"981185"	165.16431	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-H2O-H"	-19.01839
"65055"	121.781190666667	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M-3H"	-3.021828
"507163"	183.175424	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M-3H"	-3.021828
"885701"	60.3869573333333	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-3H"	-3.021828
"13028"	183.175424	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M-2H"	-2.014552
"449307"	275.266774	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M-2H"	-2.014552
"824921"	91.084074	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-2H"	-2.014552
"86008"	367.358124	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M-H"	-1.007276
"525932"	551.540824	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M-H"	-1.007276
"898631"	183.175424	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-H"	-1.007276
"53370"	384.384671	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M-2H+NH4"	16.019271
"490014"	568.567371	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M-2H+NH4"	16.019271
"865263"	200.201971	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-2H+NH4"	16.019271
"34258"	389.340066	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M-2H+Na"	20.974666
"481471"	573.522766	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M-2H+Na"	20.974666
"857086"	205.157366	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-2H+Na"	20.974666
"1620061"	205.157366	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Na-2H"	20.974666
"96587"	201.163763	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M-H+Cl"	33.962126
"537244"	293.255113	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M-H+Cl"	33.962126
"931851"	109.072413	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-H+Cl"	33.962126
"281598"	403.334802	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+Cl"	34.969402
"675315"	587.517502	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+Cl"	34.969402
"1287762"	219.152102	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Cl"	34.969402
"27275"	405.314006	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M-2H+K"	36.948606
"467930"	589.496706	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M-2H+K"	36.948606
"846709"	221.131306	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-2H+K"	36.948606
"1568499"	221.131306	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+K-2H"	36.948606
"953098"	229.180894	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-H+HCOOH"	44.998194
"371316"	413.363601	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+HCOOH-H"	44.998201
"355199"	427.379251	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+Hac-H"	59.013851
"1504030"	243.196551	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Hac-H"	59.013851
"969385"	251.162851	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-H+NaCOOH"	66.980151
"117197"	219.152102	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+2Cl"	69.938804
"564420"	311.243452	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+2Cl"	69.938804
"1035406"	127.060752	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2Cl"	69.938804
"1252799"	263.101585	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Br"	78.918885
"1313060"	265.157572	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Cl+HCOOH"	80.974872
"1326182"	287.139529	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Cl+NaCOOH"	102.956829
"918333"	297.168286	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M-H+CF3COOH"	112.985586
"1292854"	333.144964	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Cl+CF3COOH"	148.962264
"1379765"	149.170024	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H-2H2O"	-35.012676
"1393983"	167.18	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H-H2O"	-17.0027
"298440"	369.372676	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+H"	1.007276
"689739"	553.555376	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+H"	1.007276
"1364630"	185.189976	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H"	1.007276
"139707"	185.189976	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+2H"	2.014552
"580969"	277.281326	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+2H"	2.014552
"1051713"	93.098626	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2H"	2.014552
"217059"	123.795742666667	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+3H"	3.021828
"658690"	185.189976	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+3H"	3.021828
"1176935"	62.4015093333333	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+3H"	3.021828
"431824"	386.399223	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+NH4"	18.033823
"794645"	570.581923	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+NH4"	18.033823
"1690975"	202.216523	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+NH4"	18.033823
"334151"	193.7032495	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+H+NH4"	19.041099
"726937"	285.7945995	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+H+NH4"	19.041099
"1478570"	101.6118995	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H+NH4"	19.041099
"395430"	391.354618	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+Na"	22.989218
"754965"	575.537318	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+Na"	22.989218
"1605616"	207.171918	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Na"	22.989218
"315284"	196.180947	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+H+Na"	23.996494
"708313"	288.272297	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+H+Na"	23.996494
"1462499"	104.089597	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H+Na"	23.996494
"1055142"	69.7288233333333	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2H+Na"	25.00377
"1265571"	217.216186	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+CH3OH+H"	33.033486
"391077"	407.328558	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+K"	38.963158
"753776"	591.511258	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+K"	38.963158
"1550477"	223.145858	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+K"	38.963158
"313859"	204.167917	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+H+K"	39.970434
"707033"	296.259267	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+H+K"	39.970434
"1461302"	112.076567	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H+K"	39.970434
"251357"	410.399226	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+ACN+H"	42.033826
"1225454"	226.216526	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+ACN+H"	42.033826
"1205657"	113.611901	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+ACN+2H"	43.041102
"198530"	413.33656	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+2Na-H"	44.97116
"644096"	597.51926	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+2Na-H"	44.97116
"1146867"	229.15386	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2Na-H"	44.97116
"187074"	207.171918	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+2Na"	45.978436
"627724"	299.263268	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+2Na"	45.978436
"1124671"	115.080568	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2Na"	45.978436
"1406007"	77.0561373333333	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H+2Na"	46.985712
"1435208"	231.195446	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H+HCOOH"	47.012746
"225995"	212.20494	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+3H2O+2H"	56.04448
"1513692"	245.24749	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+IsoProp+H"	61.06479
"412286"	215.158888	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+Na+K"	61.952376
"773646"	307.250238	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+Na+K"	61.952376
"1671071"	123.067538	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Na+K"	61.952376
"261601"	432.381168	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+ACN+Na"	64.015768
"1235403"	248.198468	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+ACN+Na"	64.015768
"1718457"	248.221993	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+NH4+HCOOH"	64.039293
"1185272"	84.3834513333333	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+3Na"	68.967654
"1659539"	253.177388	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Na+HCOOH"	68.994688
"164215"	445.28444	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+2K-H"	76.91904
"602682"	629.46714	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+2K-H"	76.91904
"1088289"	261.10174	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2K-H"	76.91904
"146199"	223.145858	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"2M+2K"	77.926316
"589041"	315.237208	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"3M+2K"	77.926316
"1080480"	131.054508	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2K"	77.926316
"1110409"	263.116292	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2K+H"	78.933592
"1347887"	263.203907	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+DMSO+H"	79.021207
"1019333"	267.243076	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2ACN+H"	83.060376
"1535273"	268.236708	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+IsoProp+Na+H"	84.054008
"1002815"	134.125176	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+2ACN+2H"	84.067652
"1598409"	269.151328	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+K+HCOOH"	84.968628
"1422973"	299.182838	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+H+CF3COOH"	115.000138
"1158730"	154.638451	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+3ACN+2H"	125.094202
"1708280"	316.209385	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+NH4+CF3COOH"	132.026685
"1643935"	321.16478	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+Na+CF3COOH"	136.98208
"1580678"	337.13872	"C02278"	"Dodecylaldehyde;Dodecyl aldehyde;Dodecanal;Lauraldehyde"	"C12H24O"	"184.1827"	"M+K+CF3COOH"	152.95602
"804484"	605.0772	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M"	0
"976922"	586.05881	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-H2O-H"	-19.01839
"66258"	402.377524	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M-3H"	-3.021828
"504722"	604.069924	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M-3H"	-3.021828
"886904"	200.685124	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-3H"	-3.021828
"8764"	604.069924	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M-2H"	-2.014552
"440669"	906.608524	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M-2H"	-2.014552
"821751"	301.531324	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-2H"	-2.014552
"81743"	1209.147124	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M-H"	-1.007276
"525677"	1814.224324	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M-H"	-1.007276
"898012"	604.069924	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-H"	-1.007276
"47521"	1226.173671	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+NH4"	16.019271
"487932"	1831.250871	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+NH4"	16.019271
"864334"	621.096471	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-2H+NH4"	16.019271
"33274"	1231.129066	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+Na"	20.974666
"481217"	1836.206266	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+Na"	20.974666
"853915"	626.051866	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-2H+Na"	20.974666
"1618912"	626.051866	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Na-2H"	20.974666
"97790"	622.058263	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M-H+Cl"	33.962126
"536260"	924.596863	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M-H+Cl"	33.962126
"929773"	319.519663	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-H+Cl"	33.962126
"273805"	1245.123802	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+Cl"	34.969402
"674494"	1850.201002	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+Cl"	34.969402
"1286776"	640.046602	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Cl"	34.969402
"28479"	1247.103006	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+K"	36.948606
"466218"	1852.180206	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+K"	36.948606
"846573"	642.025806	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-2H+K"	36.948606
"1568245"	642.025806	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+K-2H"	36.948606
"952115"	650.075394	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-H+HCOOH"	44.998194
"371426"	1255.152601	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+HCOOH-H"	44.998201
"356402"	1269.168251	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+Hac-H"	59.013851
"1504140"	664.091051	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Hac-H"	59.013851
"969494"	672.057351	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-H+NaCOOH"	66.980151
"117307"	640.046602	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+2Cl"	69.938804
"561250"	942.585202	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+2Cl"	69.938804
"1033331"	337.508002	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2Cl"	69.938804
"1254003"	683.996085	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Br"	78.918885
"1315357"	686.052072	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+HCOOH"	80.974872
"1326292"	708.034029	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+NaCOOH"	102.956829
"918443"	718.062786	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M-H+CF3COOH"	112.985586
"1292964"	754.039464	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+CF3COOH"	148.962264
"1378782"	570.064524	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H-2H2O"	-35.012676
"1394093"	588.0745	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H-H2O"	-17.0027
"297062"	1211.161676	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+H"	1.007276
"687298"	1816.238876	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+H"	1.007276
"1362554"	606.084476	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H"	1.007276
"136536"	606.084476	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+2H"	2.014552
"578283"	908.623076	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+2H"	2.014552
"1047085"	303.545876	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2H"	2.014552
"214984"	404.392076	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+3H"	3.021828
"658557"	606.084476	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+3H"	3.021828
"1175587"	202.699676	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+3H"	3.021828
"430476"	1228.188223	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+NH4"	18.033823
"792568"	1833.265423	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+NH4"	18.033823
"1687804"	623.111023	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+NH4"	18.033823
"333167"	614.5977495	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+H+NH4"	19.041099
"725225"	917.1363495	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+H+NH4"	19.041099
"1477951"	312.0591495	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H+NH4"	19.041099
"394810"	1233.143618	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+Na"	22.989218
"756534"	1838.220818	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+Na"	22.989218
"1602927"	628.066418	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Na"	22.989218
"316126"	617.075447	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+H+Na"	23.996494
"707938"	919.614047	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+H+Na"	23.996494
"1463094"	314.536847	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H+Na"	23.996494
"1055252"	210.02699	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2H+Na"	25.00377
"1265681"	638.110686	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+CH3OH+H"	33.033486
"390823"	1249.117558	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+K"	38.963158
"753278"	1854.194758	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+K"	38.963158
"1549494"	644.040358	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+K"	38.963158
"313603"	625.062417	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+H+K"	39.970434
"706597"	927.601017	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+H+K"	39.970434
"1461027"	322.523817	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H+K"	39.970434
"251049"	1252.188226	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+H"	42.033826
"1225256"	647.111026	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+H"	42.033826
"1205767"	324.059151	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+2H"	43.041102
"198640"	1255.12556	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na-H"	44.97116
"644163"	1860.20276	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na-H"	44.97116
"1146408"	650.04836	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2Na-H"	44.97116
"184997"	628.066418	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na"	45.978436
"626741"	930.605018	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na"	45.978436
"1122594"	325.527818	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2Na"	45.978436
"1405023"	217.354304	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H+2Na"	46.985712
"1435318"	652.089946	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H+HCOOH"	47.012746
"224649"	633.09944	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+3H2O+2H"	56.04448
"1514896"	666.14199	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+H"	61.06479
"410573"	636.053388	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+Na+K"	61.952376
"771935"	938.591988	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+Na+K"	61.952376
"1668265"	333.514788	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Na+K"	61.952376
"258432"	1274.170168	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+Na"	64.015768
"1234420"	669.092968	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+Na"	64.015768
"1717474"	669.116493	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+HCOOH"	64.039293
"1182830"	224.681618	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+3Na"	68.967654
"1659649"	674.071888	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Na+HCOOH"	68.994688
"164325"	1287.07344	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+2K-H"	76.91904
"603885"	1892.15064	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+2K-H"	76.91904
"1088399"	681.99624	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2K-H"	76.91904
"145215"	644.040358	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"2M+2K"	77.926316
"585871"	946.578958	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"3M+2K"	77.926316
"1080226"	341.501758	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2K"	77.926316
"1110519"	684.010792	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2K+H"	78.933592
"1345810"	684.098407	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+DMSO+H"	79.021207
"1020538"	688.137576	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+H"	83.060376
"1537205"	689.131208	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+Na+H"	84.054008
"1004383"	344.572426	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+2H"	84.067652
"1599612"	690.045828	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+K+HCOOH"	84.968628
"1421990"	720.077338	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+H+CF3COOH"	115.000138
"1158840"	365.085701	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+3ACN+2H"	125.094202
"1708390"	737.103885	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+CF3COOH"	132.026685
"1647325"	742.05928	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+Na+CF3COOH"	136.98208
"1580788"	758.03322	"C02280"	"GDP-L-galactose"	"C16H25N5O16P2"	"605.0772"	"M+K+CF3COOH"	152.95602
"805686"	470.3396	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M"	0
"981409"	451.32121	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-H2O-H"	-19.01839
"64182"	312.552457333333	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M-3H"	-3.021828
"517722"	469.332324	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M-3H"	-3.021828
"883740"	155.772590666667	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-3H"	-3.021828
"9967"	469.332324	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M-2H"	-2.014552
"445152"	704.502124	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M-2H"	-2.014552
"822954"	234.162524	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-2H"	-2.014552
"82946"	939.671924	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M-H"	-1.007276
"526880"	1410.011524	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M-H"	-1.007276
"902495"	469.332324	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-H"	-1.007276
"47622"	956.698471	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M-2H+NH4"	16.019271
"487716"	1427.038071	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M-2H+NH4"	16.019271
"865723"	486.358871	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-2H+NH4"	16.019271
"32653"	961.653866	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M-2H+Na"	20.974666
"472212"	1431.993466	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M-2H+Na"	20.974666
"849771"	491.314266	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-2H+Na"	20.974666
"1623558"	491.314266	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Na-2H"	20.974666
"94618"	487.320663	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M-H+Cl"	33.962126
"539652"	722.490463	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M-H+Cl"	33.962126
"936450"	252.150863	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-H+Cl"	33.962126
"275012"	975.648602	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+Cl"	34.969402
"674117"	1445.988202	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+Cl"	34.969402
"1282023"	505.309002	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Cl"	34.969402
"30174"	977.627806	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M-2H+K"	36.948606
"469734"	1447.967406	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M-2H+K"	36.948606
"844865"	507.288206	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-2H+K"	36.948606
"1566529"	507.288206	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+K-2H"	36.948606
"954411"	515.337794	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-H+HCOOH"	44.998194
"373722"	985.677401	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+HCOOH-H"	44.998201
"359671"	999.693051	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+Hac-H"	59.013851
"1497690"	529.353451	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Hac-H"	59.013851
"961951"	537.319751	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-H+NaCOOH"	66.980151
"116332"	505.309002	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+2Cl"	69.938804
"556987"	740.478802	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+2Cl"	69.938804
"1026879"	270.139202	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2Cl"	69.938804
"1243177"	549.258485	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Br"	78.918885
"1305988"	551.314472	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Cl+HCOOH"	80.974872
"1324215"	573.296429	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Cl+NaCOOH"	102.956829
"916366"	583.325186	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M-H+CF3COOH"	112.985586
"1303288"	619.301864	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Cl+CF3COOH"	148.962264
"1377801"	435.326924	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H-2H2O"	-35.012676
"1395662"	453.3369	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H-H2O"	-17.0027
"293893"	941.686476	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+H"	1.007276
"685222"	1412.026076	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+H"	1.007276
"1359384"	471.346876	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H"	1.007276
"135554"	471.346876	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+2H"	2.014552
"578394"	706.516676	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+2H"	2.014552
"1048288"	236.177076	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2H"	2.014552
"211815"	314.567009333333	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+3H"	3.021828
"651376"	471.346876	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+3H"	3.021828
"1169500"	157.787142666667	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+3H"	3.021828
"431679"	958.713023	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+NH4"	18.033823
"791584"	1429.052623	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+NH4"	18.033823
"1683901"	488.373423	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+NH4"	18.033823
"334004"	479.8601495	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+H+NH4"	19.041099
"724965"	715.0299495	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+H+NH4"	19.041099
"1480606"	244.6903495	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H+NH4"	19.041099
"396737"	963.668418	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+Na"	22.989218
"755181"	1434.008018	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+Na"	22.989218
"1604011"	493.328818	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Na"	22.989218
"315262"	482.337847	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+H+Na"	23.996494
"709385"	717.507647	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+H+Na"	23.996494
"1463575"	247.168047	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H+Na"	23.996494
"1064113"	165.114456666667	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2H+Na"	25.00377
"1269075"	503.373086	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+CH3OH+H"	33.033486
"390205"	979.642358	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+K"	38.963158
"753879"	1449.981958	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+K"	38.963158
"1553983"	509.302758	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+K"	38.963158
"313350"	490.324817	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+H+K"	39.970434
"706139"	725.494617	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+H+K"	39.970434
"1459597"	255.155017	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H+K"	39.970434
"250871"	982.713026	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+ACN+H"	42.033826
"1223819"	512.373426	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+ACN+H"	42.033826
"1209163"	256.690351	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+ACN+2H"	43.041102
"203613"	985.65036	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+2Na-H"	44.97116
"644027"	1455.98996	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+2Na-H"	44.97116
"1139629"	515.31076	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2Na-H"	44.97116
"188148"	493.328818	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+2Na"	45.978436
"626123"	728.498618	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+2Na"	45.978436
"1125984"	258.159018	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2Na"	45.978436
"1408415"	172.441770666667	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H+2Na"	46.985712
"1433604"	517.352346	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H+HCOOH"	47.012746
"222570"	498.36184	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+3H2O+2H"	56.04448
"1510997"	531.40439	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+IsoProp+H"	61.06479
"412504"	501.315788	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+Na+K"	61.952376
"773866"	736.485588	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+Na+K"	61.952376
"1676032"	266.145988	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Na+K"	61.952376
"258542"	1004.694968	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+ACN+Na"	64.015768
"1231615"	534.355368	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+ACN+Na"	64.015768
"1719775"	534.378893	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+NH4+HCOOH"	64.039293
"1186223"	179.769084666667	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+3Na"	68.967654
"1658304"	539.334288	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Na+HCOOH"	68.994688
"165167"	1017.59824	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+2K-H"	76.91904
"605455"	1487.93784	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+2K-H"	76.91904
"1084734"	547.25864	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2K-H"	76.91904
"143136"	509.302758	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"2M+2K"	77.926316
"582816"	744.472558	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"3M+2K"	77.926316
"1069270"	274.132958	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2K"	77.926316
"1106979"	549.273192	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2K+H"	78.933592
"1347377"	549.360807	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+DMSO+H"	79.021207
"1017000"	553.399976	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2ACN+H"	83.060376
"1536585"	554.393608	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+IsoProp+Na+H"	84.054008
"1001939"	277.203626	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+2ACN+2H"	84.067652
"1598628"	555.308228	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+K+HCOOH"	84.968628
"1427572"	585.339738	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+H+CF3COOH"	115.000138
"1162113"	297.716901	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+3ACN+2H"	125.094202
"1709600"	602.366285	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+NH4+CF3COOH"	132.026685
"1646343"	607.32168	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+Na+CF3COOH"	136.98208
"1580899"	623.29562	"C02283"	"Glycyrrhetinate;Enoxolone;Glycyrrhetinic acid"	"C30H46O4"	"470.3396"	"M+K+CF3COOH"	152.95602
"802880"	822.4038	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M"	0
"981519"	803.38541	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-H2O-H"	-19.01839
"65020"	547.261924	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M-3H"	-3.021828
"516616"	821.396524	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M-3H"	-3.021828
"884942"	273.127324	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-3H"	-3.021828
"7890"	821.396524	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M-2H"	-2.014552
"446357"	1232.598424	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M-2H"	-2.014552
"826346"	410.194624	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-2H"	-2.014552
"85245"	1643.800324	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M-H"	-1.007276
"525898"	2466.204124	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M-H"	-1.007276
"898232"	821.396524	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-H"	-1.007276
"48594"	1660.826871	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M-2H+NH4"	16.019271
"487216"	2483.230671	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M-2H+NH4"	16.019271
"864981"	838.423071	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-2H+NH4"	16.019271
"32640"	1665.782266	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M-2H+Na"	20.974666
"471955"	2488.186066	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M-2H+Na"	20.974666
"851947"	843.378466	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-2H+Na"	20.974666
"1625856"	843.378466	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Na-2H"	20.974666
"95456"	839.384863	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M-H+Cl"	33.962126
"537575"	1250.586763	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M-H+Cl"	33.962126
"935465"	428.182963	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-H+Cl"	33.962126
"274389"	1679.777002	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+Cl"	34.969402
"668635"	2502.180802	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+Cl"	34.969402
"1281037"	857.373202	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Cl"	34.969402
"26878"	1681.756206	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M-2H+K"	36.948606
"463160"	2504.160006	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M-2H+K"	36.948606
"844245"	859.352406	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-2H+K"	36.948606
"1564453"	859.352406	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+K-2H"	36.948606
"953428"	867.401994	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-H+HCOOH"	44.998194
"375655"	1689.805801	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+HCOOH-H"	44.998201
"355528"	1703.821451	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+Hac-H"	59.013851
"1503267"	881.417651	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Hac-H"	59.013851
"964248"	889.383951	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-H+NaCOOH"	66.980151
"119722"	857.373202	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+2Cl"	69.938804
"553815"	1268.575102	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+2Cl"	69.938804
"1023709"	446.171302	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2Cl"	69.938804
"1242192"	901.322685	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Br"	78.918885
"1305002"	903.378672	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Cl+HCOOH"	80.974872
"1324325"	925.360629	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Cl+NaCOOH"	102.956829
"913193"	935.389386	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M-H+CF3COOH"	112.985586
"1300846"	971.366064	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Cl+CF3COOH"	148.962264
"1379004"	787.391124	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H-2H2O"	-35.012676
"1397108"	805.4011	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H-H2O"	-17.0027
"295096"	1645.814876	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+H"	1.007276
"685332"	2468.218676	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+H"	1.007276
"1354027"	823.411076	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H"	1.007276
"133477"	823.411076	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+2H"	2.014552
"574130"	1234.612976	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+2H"	2.014552
"1042931"	412.209176	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2H"	2.014552
"206459"	549.276476	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+3H"	3.021828
"649298"	823.411076	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+3H"	3.021828
"1168517"	275.141876	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+3H"	3.021828
"425103"	1662.841423	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+NH4"	18.033823
"787320"	2485.245223	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+NH4"	18.033823
"1684015"	840.437623	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+NH4"	18.033823
"331927"	831.9243495	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+H+NH4"	19.041099
"725075"	1243.1262495	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+H+NH4"	19.041099
"1479263"	420.7224495	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H+NH4"	19.041099
"393933"	1667.796818	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+Na"	22.989218
"754930"	2490.200618	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+Na"	22.989218
"1603879"	845.393018	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Na"	22.989218
"315007"	834.402047	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+H+Na"	23.996494
"708524"	1245.603947	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+H+Na"	23.996494
"1466603"	423.200147	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H+Na"	23.996494
"1066415"	282.46919	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2H+Na"	25.00377
"1271739"	855.437286	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+CH3OH+H"	33.033486
"392143"	1683.770758	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+K"	38.963158
"753506"	2506.174558	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+K"	38.963158
"1554587"	861.366958	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+K"	38.963158
"314187"	842.389017	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+H+K"	39.970434
"706860"	1253.590917	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+H+K"	39.970434
"1461227"	431.187117	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H+K"	39.970434
"251193"	1686.841426	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+ACN+H"	42.033826
"1218827"	864.437626	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+ACN+H"	42.033826
"1206719"	432.722451	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+ACN+2H"	43.041102
"201412"	1689.77876	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+2Na-H"	44.97116
"638421"	2512.18256	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+2Na-H"	44.97116
"1141926"	867.37496	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2Na-H"	44.97116
"183758"	845.393018	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+2Na"	45.978436
"625872"	1256.594918	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+2Na"	45.978436
"1126096"	434.191118	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2Na"	45.978436
"1405246"	289.796504	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H+2Na"	46.985712
"1436269"	869.416546	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H+HCOOH"	47.012746
"224869"	850.42604	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+3H2O+2H"	56.04448
"1514026"	883.46859	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+IsoProp+H"	61.06479
"412617"	853.379988	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+Na+K"	61.952376
"776895"	1264.581888	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+Na+K"	61.952376
"1676506"	442.178088	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Na+K"	61.952376
"259745"	1708.823368	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+ACN+Na"	64.015768
"1231725"	886.419568	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+ACN+Na"	64.015768
"1722074"	886.443093	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+NH4+HCOOH"	64.039293
"1185969"	297.123818	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+3Na"	68.967654
"1658050"	891.398488	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Na+HCOOH"	68.994688
"165277"	1721.72664	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+2K-H"	76.91904
"604836"	2544.13044	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+2K-H"	76.91904
"1087524"	899.32284	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2K-H"	76.91904
"143247"	861.366958	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"2M+2K"	77.926316
"588274"	1272.568858	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"3M+2K"	77.926316
"1076067"	450.165058	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2K"	77.926316
"1110374"	901.337392	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2K+H"	78.933592
"1348218"	901.425007	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+DMSO+H"	79.021207
"1019911"	905.464176	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2ACN+H"	83.060376
"1537424"	906.457808	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+IsoProp+Na+H"	84.054008
"1002414"	453.235726	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+2ACN+2H"	84.067652
"1598738"	907.372428	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+K+HCOOH"	84.968628
"1428048"	937.403938	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+H+CF3COOH"	115.000138
"1161615"	473.749001	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+3ACN+2H"	125.094202
"1709346"	954.430485	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+NH4+CF3COOH"	132.026685
"1646453"	959.38588	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+Na+CF3COOH"	136.98208
"1581009"	975.35982	"C02284"	"Glycyrrhizinate;Glycyrrhizin;Glycyrrhizic acid;(3beta20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid"	"C42H62O16"	"822.4038"	"M+K+CF3COOH"	152.95602
"805907"	120.0059	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M"	0
"977614"	100.98751	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-H2O-H"	-19.01839
"69867"	78.9966573333333	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M-3H"	-3.021828
"518443"	118.998624	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M-3H"	-3.021828
"889426"	38.9946906666667	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-3H"	-3.021828
"6907"	118.998624	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M-2H"	-2.014552
"447560"	179.001574	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M-2H"	-2.014552
"825363"	58.995674	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-2H"	-2.014552
"87542"	239.004524	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M-H"	-1.007276
"524915"	359.010424	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M-H"	-1.007276
"901622"	118.998624	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-H"	-1.007276
"48099"	256.031071	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M-2H+NH4"	16.019271
"487898"	376.036971	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M-2H+NH4"	16.019271
"866069"	136.025171	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-2H+NH4"	16.019271
"33606"	260.986466	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M-2H+Na"	20.974666
"474256"	380.992366	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M-2H+Na"	20.974666
"850964"	140.980566	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-2H+Na"	20.974666
"1621591"	140.980566	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Na-2H"	20.974666
"98125"	136.986963	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M-H+Cl"	33.962126
"538779"	196.989913	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M-H+Cl"	33.962126
"933393"	76.984013	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-H+Cl"	33.962126
"282610"	274.981202	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+Cl"	34.969402
"667653"	394.987102	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+Cl"	34.969402
"1282244"	154.975302	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Cl"	34.969402
"28812"	276.960406	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M-2H+K"	36.948606
"465456"	396.966306	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M-2H+K"	36.948606
"845447"	156.954506	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-2H+K"	36.948606
"1565656"	156.954506	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+K-2H"	36.948606
"952444"	165.004094	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-H+HCOOH"	44.998194
"375036"	285.010001	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+HCOOH-H"	44.998201
"355638"	299.025651	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+Hac-H"	59.013851
"1499003"	179.019751	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Hac-H"	59.013851
"964358"	186.986051	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-H+NaCOOH"	66.980151
"112176"	154.975302	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+2Cl"	69.938804
"561578"	214.978252	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+2Cl"	69.938804
"1033658"	94.972352	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2Cl"	69.938804
"1244489"	198.924785	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Br"	78.918885
"1305843"	200.980772	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Cl+HCOOH"	80.974872
"1323341"	222.962729	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Cl+NaCOOH"	102.956829
"916586"	232.991486	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M-H+CF3COOH"	112.985586
"1300953"	268.968164	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Cl+CF3COOH"	148.962264
"1374741"	84.993224	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H-2H2O"	-35.012676
"1395882"	103.0032	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H-H2O"	-17.0027
"291925"	241.019076	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+H"	1.007276
"683255"	361.024976	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+H"	1.007276
"1358511"	121.013176	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H"	1.007276
"131035"	121.013176	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+2H"	2.014552
"570595"	181.016126	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+2H"	2.014552
"1039759"	61.010226	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2H"	2.014552
"205836"	81.0112093333333	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+3H"	3.021828
"647949"	121.013176	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+3H"	3.021828
"1167168"	41.0092426666667	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+3H"	3.021828
"427160"	258.045623	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+NH4"	18.033823
"790710"	378.051523	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+NH4"	18.033823
"1684853"	138.039723	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+NH4"	18.033823
"332766"	129.5264495	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+H+NH4"	19.041099
"725549"	189.5293995	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+H+NH4"	19.041099
"1479008"	69.5234995	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H+NH4"	19.041099
"393671"	263.001018	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+Na"	22.989218
"755039"	383.006918	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+Na"	22.989218
"1606054"	142.995118	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Na"	22.989218
"315117"	132.004147	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+H+Na"	23.996494
"709609"	192.007097	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+H+Na"	23.996494
"1467806"	72.001197	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H+Na"	23.996494
"1068065"	48.3365566666667	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2H+Na"	25.00377
"1272460"	153.039386	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+CH3OH+H"	33.033486
"392619"	278.974958	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+K"	38.963158
"753861"	398.980858	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+K"	38.963158
"1555062"	158.969058	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+K"	38.963158
"314220"	139.991117	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+H+K"	39.970434
"706726"	199.994067	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+H+K"	39.970434
"1460997"	79.988167	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H+K"	39.970434
"251366"	282.045626	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+ACN+H"	42.033826
"1217843"	162.039726	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+ACN+H"	42.033826
"1207922"	81.523501	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+ACN+2H"	43.041102
"198606"	284.98296	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+2Na-H"	44.97116
"640718"	404.98886	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+2Na-H"	44.97116
"1139849"	164.97706	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2Na-H"	44.97116
"183138"	142.995118	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+2Na"	45.978436
"625615"	202.998068	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+2Na"	45.978436
"1125112"	82.992168	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2Na"	45.978436
"1404262"	55.6638706666667	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H+2Na"	46.985712
"1436378"	167.018646	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H+HCOOH"	47.012746
"228259"	148.02814	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+3H2O+2H"	56.04448
"1511949"	181.07069	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+IsoProp+H"	61.06479
"414913"	150.982088	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+Na+K"	61.952376
"777005"	210.985038	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+Na+K"	61.952376
"1674429"	90.979138	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Na+K"	61.952376
"258761"	304.027568	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+ACN+Na"	64.015768
"1232564"	184.021668	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+ACN+Na"	64.015768
"1724006"	184.045193	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+NH4+HCOOH"	64.039293
"1188994"	62.9911846666667	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+3Na"	68.967654
"1659617"	189.000588	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Na+HCOOH"	68.994688
"168303"	316.93084	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+2K-H"	76.91904
"606403"	436.93674	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+2K-H"	76.91904
"1085202"	196.92494	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2K-H"	76.91904
"142384"	158.969058	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"2M+2K"	77.926316
"589478"	218.972008	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"3M+2K"	77.926316
"1073991"	98.966108	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2K"	77.926316
"1109390"	198.939492	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2K+H"	78.933592
"1348693"	199.027107	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+DMSO+H"	79.021207
"1019408"	203.066276	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2ACN+H"	83.060376
"1537532"	204.059908	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+IsoProp+Na+H"	84.054008
"1002887"	102.036776	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+2ACN+2H"	84.067652
"1598848"	204.974528	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+K+HCOOH"	84.968628
"1428886"	235.006038	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+H+CF3COOH"	115.000138
"1162090"	122.550051	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+3ACN+2H"	125.094202
"1710550"	252.032585	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+NH4+CF3COOH"	132.026685
"1646563"	256.98798	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+Na+CF3COOH"	136.98208
"1581119"	272.96192	"C02287"	"Hydroxymalonate;Tartronic acid;Hydroxymalonic acid;2-Hydroxymalonate;2-Hydroxymalonic acid;2-Tartronic acid"	"C3H4O5"	"120.0059"	"M+K+CF3COOH"	152.95602
"801766"	150.1045	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M"	0
"975542"	131.08611	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"73264"	99.0623906666667	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"508454"	149.097224	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"886256"	49.0275573333333	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"7017"	149.097224	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"449859"	224.149474	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"826565"	74.044974	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"84371"	299.201724	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"521746"	449.306224	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"900640"	149.097224	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"49910"	316.228271	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"487565"	466.332771	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"866179"	166.123771	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"34080"	321.183666	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"475461"	471.288166	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"854355"	171.079166	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1621701"	171.079166	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"96043"	167.085563	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"537790"	242.137813	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"928757"	92.033313	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"271327"	335.178402	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"666667"	485.282902	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1279071"	185.073902	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"28195"	337.157606	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"461193"	487.262106	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"842279"	187.053106	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1564673"	187.053106	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"953649"	195.102694	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"375145"	345.207201	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"360123"	359.222851	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1500206"	209.118351	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"966658"	217.084651	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"116659"	185.073902	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"559501"	260.126152	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1022225"	110.021652	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1244599"	229.023385	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1307411"	231.079372	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1324544"	253.061329	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"913049"	263.090086	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1298877"	299.066764	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1373758"	115.091824	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1390163"	133.1018	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"289850"	301.216276	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"683365"	451.320776	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1353517"	151.111776	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"126405"	151.111776	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"570341"	226.164026	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1040233"	76.059526	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"207040"	101.076942666667	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"647328"	151.111776	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1168739"	51.0421093333333	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"427270"	318.242823	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"789725"	468.347323	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1687151"	168.138323	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"336521"	159.6250495	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"726756"	234.6772995	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1479845"	84.5727995	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"397070"	323.198218	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"756972"	473.302718	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1605070"	173.093718	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"319486"	162.102747	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"716283"	237.154997	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1467916"	87.050497	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1068092"	58.3694233333333	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1270135"	183.137986	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"392602"	339.172158	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"753971"	489.276658	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1555044"	189.067658	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"314137"	170.089717	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"706755"	245.141967	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1461106"	95.037467	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"247430"	342.242826	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1219046"	192.138326	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1205846"	96.572801	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"200537"	345.18016	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"640828"	495.28466	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1142143"	195.07566	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"184340"	173.093718	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"623901"	248.145968	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1124125"	98.041468	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1404370"	65.6967373333333	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1437579"	197.117246	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"223995"	178.12674	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1514607"	211.16929	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"415026"	181.080688	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"779302"	256.132938	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1673446"	106.028438	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"264342"	364.224768	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1237415"	214.120268	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1724845"	214.143793	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1190198"	73.0240513333333	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1653530"	219.099188	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"161485"	377.12804	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"598124"	527.23254	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1084579"	227.02354	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"141503"	189.067658	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"584120"	264.119908	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1071913"	114.015408	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1102939"	229.038092	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1346979"	229.125707	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1016600"	233.164876	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1535819"	234.158508	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"998987"	117.086076	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1601146"	235.073128	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1423529"	265.104638	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1158192"	137.599351	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1711389"	282.131185	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1646673"	287.08658	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1581229"	303.06052	"C02289"	"Isopiperitenone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"801795"	161.129	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M"	0
"981848"	142.11061	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-H2O-H"	-19.01839
"71187"	106.412057333333	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M-3H"	-3.021828
"505284"	160.121724	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M-3H"	-3.021828
"883086"	52.7023906666667	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-3H"	-3.021828
"1660"	160.121724	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M-2H"	-2.014552
"445594"	240.686224	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M-2H"	-2.014552
"823395"	79.557224	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-2H"	-2.014552
"86667"	321.250724	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M-H"	-1.007276
"524042"	482.379724	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M-H"	-1.007276
"901843"	160.121724	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-H"	-1.007276
"49291"	338.277271	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M-2H+NH4"	16.019271
"487796"	499.406271	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M-2H+NH4"	16.019271
"866653"	177.148271	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-2H+NH4"	16.019271
"31758"	343.232666	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M-2H+Na"	20.974666
"473384"	504.361666	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M-2H+Na"	20.974666
"854464"	182.103666	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-2H+Na"	20.974666
"1621810"	182.103666	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Na-2H"	20.974666
"96153"	178.110063	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M-H+Cl"	33.962126
"535714"	258.674563	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M-H+Cl"	33.962126
"929231"	97.545563	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-H+Cl"	33.962126
"272166"	357.227402	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+Cl"	34.969402
"664589"	518.356402	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+Cl"	34.969402
"1276994"	196.098402	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Cl"	34.969402
"18824"	359.206606	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M-2H+K"	36.948606
"458386"	520.335606	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M-2H+K"	36.948606
"834002"	198.077606	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-2H+K"	36.948606
"1558220"	198.077606	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+K-2H"	36.948606
"950478"	206.127194	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-H+HCOOH"	44.998194
"363589"	367.256201	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+HCOOH-H"	44.998201
"352577"	381.271851	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+Hac-H"	59.013851
"1495943"	220.142851	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Hac-H"	59.013851
"967861"	228.109151	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-H+NaCOOH"	66.980151
"117862"	196.098402	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+2Cl"	69.938804
"560704"	276.662902	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+2Cl"	69.938804
"1026223"	115.533902	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2Cl"	69.938804
"1245802"	240.047885	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Br"	78.918885
"1308250"	242.103872	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Cl+HCOOH"	80.974872
"1325747"	264.085829	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Cl+NaCOOH"	102.956829
"912795"	274.114586	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M-H+CF3COOH"	112.985586
"1298987"	310.091264	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Cl+CF3COOH"	148.962264
"1374962"	126.116324	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H-2H2O"	-35.012676
"1393553"	144.1263	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H-H2O"	-17.0027
"289960"	323.265276	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+H"	1.007276
"680195"	484.394276	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+H"	1.007276
"1353627"	162.136276	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H"	1.007276
"126513"	162.136276	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+2H"	2.014552
"567899"	242.700776	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+2H"	2.014552
"1039615"	81.571776	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2H"	2.014552
"207879"	108.426609333333	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+3H"	3.021828
"646345"	162.136276	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+3H"	3.021828
"1165932"	54.7169426666667	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+3H"	3.021828
"427743"	340.291823	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+NH4"	18.033823
"795302"	501.420823	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+NH4"	18.033823
"1687261"	179.162823	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+NH4"	18.033823
"332983"	170.6495495	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+H+NH4"	19.041099
"727960"	251.2140495	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+H+NH4"	19.041099
"1485061"	90.0850495	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H+NH4"	19.041099
"393534"	345.247218	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+Na"	22.989218
"758176"	506.376218	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+Na"	22.989218
"1603236"	184.118218	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Na"	22.989218
"320689"	173.127247	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+H+Na"	23.996494
"716393"	253.691747	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+H+Na"	23.996494
"1469119"	92.562747	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H+Na"	23.996494
"1067839"	62.0442566666667	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2H+Na"	25.00377
"1270245"	194.162486	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+CH3OH+H"	33.033486
"392428"	361.221158	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+K"	38.963158
"753102"	522.350158	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+K"	38.963158
"1553694"	200.092158	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+K"	38.963158
"313427"	181.114217	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+H+K"	39.970434
"706903"	261.678717	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+H+K"	39.970434
"1461094"	100.549717	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H+K"	39.970434
"248269"	364.291826	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+ACN+H"	42.033826
"1218063"	203.162826	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+ACN+H"	42.033826
"1207778"	102.085051	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+ACN+2H"	43.041102
"198461"	367.22916	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+2Na-H"	44.97116
"635468"	528.35816	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+2Na-H"	44.97116
"1141160"	206.10016	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2Na-H"	44.97116
"181171"	184.118218	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+2Na"	45.978436
"619637"	264.682718	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+2Na"	45.978436
"1123142"	103.553718	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2Na"	45.978436
"1403387"	69.3715706666667	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H+2Na"	46.985712
"1435134"	208.141746	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H+HCOOH"	47.012746
"224467"	189.15124	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+3H2O+2H"	56.04448
"1514717"	222.19379	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+IsoProp+H"	61.06479
"413309"	192.105188	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+Na+K"	61.952376
"779412"	272.669688	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+Na+K"	61.952376
"1673556"	111.540688	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Na+K"	61.952376
"261536"	386.273768	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+ACN+Na"	64.015768
"1237525"	225.144768	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+ACN+Na"	64.015768
"1723497"	225.168293	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+NH4+HCOOH"	64.039293
"1181560"	76.6988846666667	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+3Na"	68.967654
"1653640"	230.123688	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Na+HCOOH"	68.994688
"158313"	399.17704	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+2K-H"	76.91904
"597309"	560.30604	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+2K-H"	76.91904
"1084324"	238.04804	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2K-H"	76.91904
"141911"	200.092158	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"2M+2K"	77.926316
"583137"	280.656658	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"3M+2K"	77.926316
"1069107"	119.527658	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2K"	77.926316
"1101955"	240.062592	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2K+H"	78.933592
"1342714"	240.150207	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+DMSO+H"	79.021207
"1013430"	244.189376	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2ACN+H"	83.060376
"1529368"	245.183008	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+IsoProp+Na+H"	84.054008
"1000190"	122.598326	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+2ACN+2H"	84.067652
"1601256"	246.097628	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+K+HCOOH"	84.968628
"1424732"	276.129138	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+H+CF3COOH"	115.000138
"1158302"	143.111601	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+3ACN+2H"	125.094202
"1711742"	293.155685	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+NH4+CF3COOH"	132.026685
"1647876"	298.11108	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+Na+CF3COOH"	136.98208
"1581339"	314.08502	"C02290"	"L-Carnitinamide"	"C7H17N2O2"	"161.129"	"M+K+CF3COOH"	152.95602
"805145"	222.0674	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M"	0
"981958"	203.04901	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H2O-H"	-19.01839
"71297"	147.037657333333	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-3H"	-3.021828
"506488"	221.060124	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-3H"	-3.021828
"883196"	73.0151906666667	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-3H"	-3.021828
"7238"	221.060124	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H"	-2.014552
"447891"	332.093824	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H"	-2.014552
"828973"	110.026424	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H"	-2.014552
"84591"	443.127524	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-H"	-1.007276
"524152"	665.194924	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-H"	-1.007276
"899766"	221.060124	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H"	-1.007276
"50131"	460.154071	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H+NH4"	16.019271
"488839"	682.221471	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H+NH4"	16.019271
"868222"	238.086671	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H+NH4"	16.019271
"32234"	465.109466	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H+Na"	20.974666
"474586"	687.176866	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H+Na"	20.974666
"851294"	243.042066	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H+Na"	20.974666
"1624108"	243.042066	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na-2H"	20.974666
"95170"	239.048463	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-H+Cl"	33.962126
"537281"	350.082163	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-H+Cl"	33.962126
"929705"	128.014763	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+Cl"	33.962126
"271183"	479.104202	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Cl"	34.969402
"664699"	701.171602	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+Cl"	34.969402
"1277104"	257.036802	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl"	34.969402
"21849"	481.083406	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M-2H+K"	36.948606
"459588"	703.150806	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M-2H+K"	36.948606
"835930"	259.016006	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-2H+K"	36.948606
"1556503"	259.016006	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K-2H"	36.948606
"949493"	267.065594	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+HCOOH"	44.998194
"362723"	489.133001	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+HCOOH-H"	44.998201
"349406"	503.148651	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Hac-H"	59.013851
"1499333"	281.081251	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Hac-H"	59.013851
"961773"	289.047551	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+NaCOOH"	66.980151
"122346"	257.036802	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2Cl"	69.938804
"557534"	368.070502	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2Cl"	69.938804
"1032894"	146.003102	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2Cl"	69.938804
"1248099"	300.986285	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Br"	78.918885
"1310547"	303.042272	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl+HCOOH"	80.974872
"1328045"	325.024229	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl+NaCOOH"	102.956829
"918009"	335.052986	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M-H+CF3COOH"	112.985586
"1301283"	371.029664	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Cl+CF3COOH"	148.962264
"1377259"	187.054724	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H-2H2O"	-35.012676
"1391476"	205.0647	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H-H2O"	-17.0027
"287883"	445.142076	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H"	1.007276
"677389"	667.209476	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H"	1.007276
"1354467"	223.074676	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H"	1.007276
"131730"	223.074676	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2H"	2.014552
"572385"	334.108376	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2H"	2.014552
"1044464"	112.040976	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2H"	2.014552
"207624"	149.052209333333	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+3H"	3.021828
"648645"	223.074676	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+3H"	3.021828
"1168960"	75.0297426666667	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+3H"	3.021828
"431137"	462.168623	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+NH4"	18.033823
"796506"	684.236023	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+NH4"	18.033823
"1688466"	240.101223	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+NH4"	18.033823
"340023"	231.5879495	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H+NH4"	19.041099
"730257"	342.6216495	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H+NH4"	19.041099
"1486266"	120.5542495	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+NH4"	19.041099
"396196"	467.124018	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Na"	22.989218
"760475"	689.191418	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+Na"	22.989218
"1609665"	245.056618	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na"	22.989218
"322987"	234.065647	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H+Na"	23.996494
"716503"	345.099347	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H+Na"	23.996494
"1469229"	123.031947	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+Na"	23.996494
"1066858"	82.3570566666667	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2H+Na"	25.00377
"1270482"	255.100886	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+CH3OH+H"	33.033486
"390514"	483.097958	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+K"	38.963158
"753212"	705.165358	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+K"	38.963158
"1554412"	261.030558	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K"	38.963158
"313779"	242.052617	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+H+K"	39.970434
"706808"	353.086317	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+H+K"	39.970434
"1461233"	131.018917	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+K"	39.970434
"249108"	486.168626	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+ACN+H"	42.033826
"1219266"	264.101226	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+ACN+H"	42.033826
"1206430"	132.554251	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+ACN+2H"	43.041102
"198936"	489.10596	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2Na-H"	44.97116
"638494"	711.17336	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2Na-H"	44.97116
"1144309"	267.03856	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2Na-H"	44.97116
"184563"	245.056618	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2Na"	45.978436
"622663"	356.090318	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2Na"	45.978436
"1123254"	134.022918	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2Na"	45.978436
"1402404"	89.6843706666667	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+2Na"	46.985712
"1433427"	269.080146	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+HCOOH"	47.012746
"225309"	250.08964	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+3H2O+2H"	56.04448
"1512277"	283.13219	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+H"	61.06479
"411966"	253.043588	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+Na+K"	61.952376
"778428"	364.077288	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+Na+K"	61.952376
"1670386"	142.009888	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na+K"	61.952376
"261281"	508.150568	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+ACN+Na"	64.015768
"1236178"	286.083168	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+ACN+Na"	64.015768
"1723972"	286.106693	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+NH4+HCOOH"	64.039293
"1181670"	97.0116846666667	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+3Na"	68.967654
"1659218"	291.062088	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na+HCOOH"	68.994688
"157692"	521.05384	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2K-H"	76.91904
"597106"	743.12124	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2K-H"	76.91904
"1084351"	298.98644	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2K-H"	76.91904
"141778"	261.030558	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"2M+2K"	77.926316
"583247"	372.064258	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"3M+2K"	77.926316
"1071040"	149.996858	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2K"	77.926316
"1104252"	301.000992	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2K+H"	78.933592
"1342824"	301.088607	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+DMSO+H"	79.021207
"1016820"	305.127776	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2ACN+H"	83.060376
"1532758"	306.121408	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+Na+H"	84.054008
"1000300"	153.067526	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+2ACN+2H"	84.067652
"1601366"	307.036028	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K+HCOOH"	84.968628
"1424841"	337.067538	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+H+CF3COOH"	115.000138
"1155130"	173.580801	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+3ACN+2H"	125.094202
"1710150"	354.094085	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+NH4+CF3COOH"	132.026685
"1640331"	359.04948	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+Na+CF3COOH"	136.98208
"1574888"	375.02342	"C02291"	"L-Cystathionine"	"C7H14N2O4S"	"222.0674"	"M+K+CF3COOH"	152.95602
"803068"	236.1776	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M"	0
"978788"	217.15921	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"70314"	156.444457333333	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"509878"	235.170324	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"884399"	77.7185906666667	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"7348"	235.170324	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"448001"	353.259124	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"825803"	117.081524	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"85794"	471.347924	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"524262"	707.525524	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"900970"	235.170324	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"52064"	488.374471	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"488948"	724.552071	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"866387"	252.196871	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"34168"	493.329866	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"472022"	729.507466	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"850312"	257.152266	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1619356"	257.152266	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"98558"	253.158663	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"535081"	371.247463	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"929819"	135.069863	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"268738"	507.324602	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"663712"	743.502202	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1277575"	271.147002	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"21957"	509.303806	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"460431"	745.481406	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"834587"	273.126206	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1555735"	273.126206	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"943407"	281.175794	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"366727"	517.353401	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"351705"	531.369051	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1499443"	295.191451	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"962612"	303.157751	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"119176"	271.147002	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"558737"	389.235802	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1027536"	153.058202	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1243835"	315.096485	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1307377"	317.152472	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1325968"	339.134429	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"922496"	349.163186	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1299207"	385.139864	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1379556"	201.164924	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1387213"	219.1749	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"289087"	473.362476	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"677499"	709.540076	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1354941"	237.184876	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"132934"	237.184876	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"570308"	355.273676	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1041294"	119.096076	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"212476"	158.459009333333	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"648755"	237.184876	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1169070"	79.7331426666667	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"434527"	490.389023	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"794430"	726.566623	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1691854"	254.211423	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"340132"	245.6981495	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"729273"	363.7869495	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1486374"	127.6093495	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"398496"	495.344418	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"763863"	731.522018	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1610868"	259.166818	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"320904"	248.175847	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"708950"	366.264647	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1464960"	130.087047	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1067452"	87.0604566666667	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1270351"	269.211086	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"390502"	511.318358	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"752471"	747.495958	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1553182"	275.140758	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"312185"	256.162817	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"706070"	374.251617	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1460620"	138.074017	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"243387"	514.389026	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1220473"	278.211426	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1203259"	139.609351	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"196129"	517.32636	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"641521"	753.50396	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1140288"	281.14876	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"184672"	259.166818	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"618765"	377.255618	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1122270"	141.078018	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1404700"	94.3877706666667	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1433899"	283.190346	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"223231"	264.19984	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1513478"	297.24239	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"413163"	267.153788	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"775258"	385.242588	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1671589"	149.064988	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"254100"	536.370968	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1237747"	300.193368	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1724812"	300.216893	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1187250"	101.715084666667	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1662612"	305.172288	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"162910"	549.27424	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"597202"	785.45184	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1084234"	313.09664	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"141434"	275.140758	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"587732"	393.229558	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1074432"	157.051958	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1102175"	315.111192	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1339654"	315.198807	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1019725"	319.237976	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1535055"	320.231608	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"1001504"	160.122626	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1599289"	321.146228	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1423858"	351.177738	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1151959"	180.635901	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1708073"	368.204285	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1640441"	373.15968	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1572811"	389.13362	"C02293"	"Latia luciferin"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"802085"	73.064	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M"	0
"978898"	54.04561	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-H2O-H"	-19.01839
"70424"	47.7020573333333	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M-3H"	-3.021828
"505613"	72.056724	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M-3H"	-3.021828
"884509"	23.3473906666667	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-3H"	-3.021828
"7458"	72.056724	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M-2H"	-2.014552
"444831"	108.588724	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M-2H"	-2.014552
"820445"	35.524724	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-2H"	-2.014552
"82258"	145.120724	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M-H"	-1.007276
"525465"	218.184724	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M-H"	-1.007276
"904360"	72.056724	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-H"	-1.007276
"55454"	162.147271	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M-2H+NH4"	16.019271
"489058"	235.211271	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M-2H+NH4"	16.019271
"867348"	89.083271	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-2H+NH4"	16.019271
"35250"	167.102666	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M-2H+Na"	20.974666
"473959"	240.166666	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M-2H+Na"	20.974666
"850545"	94.038666	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-2H+Na"	20.974666
"1623237"	94.038666	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Na-2H"	20.974666
"98672"	90.045063	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M-H+Cl"	33.962126
"538233"	126.577063	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M-H+Cl"	33.962126
"929565"	53.513063	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-H+Cl"	33.962126
"270670"	181.097402	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+Cl"	34.969402
"662728"	254.161402	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+Cl"	34.969402
"1279508"	108.033402	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Cl"	34.969402
"22067"	183.076606	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M-2H+K"	36.948606
"458353"	256.140606	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M-2H+K"	36.948606
"833275"	110.012606	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-2H+K"	36.948606
"1559644"	110.012606	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+K-2H"	36.948606
"946433"	118.062194	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-H+HCOOH"	44.998194
"365743"	191.126201	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+HCOOH-H"	44.998201
"346709"	205.141851	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+Hac-H"	59.013851
"1499553"	132.077851	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Hac-H"	59.013851
"963086"	140.044151	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-H+NaCOOH"	66.980151
"118192"	108.033402	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+2Cl"	69.938804
"555566"	144.565402	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+2Cl"	69.938804
"1030926"	71.501402	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2Cl"	69.938804
"1249412"	151.982885	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Br"	78.918885
"1307486"	154.038872	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Cl+HCOOH"	80.974872
"1328264"	176.020829	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Cl+NaCOOH"	102.956829
"921512"	186.049586	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M-H+CF3COOH"	112.985586
"1300408"	222.026264	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Cl+CF3COOH"	148.962264
"1382218"	38.051324	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H-2H2O"	-35.012676
"1388416"	56.0613	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H-H2O"	-17.0027
"287374"	147.135276	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+H"	1.007276
"679066"	220.199276	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+H"	1.007276
"1353592"	74.071276	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H"	1.007276
"129764"	74.071276	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+2H"	2.014552
"567865"	110.603276	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+2H"	2.014552
"1040671"	37.539276	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2H"	2.014552
"208936"	49.7166093333333	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+3H"	3.021828
"648497"	74.071276	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+3H"	3.021828
"1168445"	25.3619426666667	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+3H"	3.021828
"427707"	164.161823	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+NH4"	18.033823
"787974"	237.225823	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+NH4"	18.033823
"1683576"	91.097823	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+NH4"	18.033823
"339146"	82.5845495	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+H+NH4"	19.041099
"726464"	119.1165495	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+H+NH4"	19.041099
"1479191"	46.0525495	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H+NH4"	19.041099
"394590"	169.117218	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+Na"	22.989218
"760691"	242.181218	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+Na"	22.989218
"1608790"	96.053218	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Na"	22.989218
"321015"	85.062247	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+H+Na"	23.996494
"717811"	121.594247	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+H+Na"	23.996494
"1465071"	48.530247	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H+Na"	23.996494
"1064157"	32.6892566666667	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2H+Na"	25.00377
"1271668"	106.097486	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+CH3OH+H"	33.033486
"392313"	185.091158	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+K"	38.963158
"753790"	258.155158	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+K"	38.963158
"1553292"	112.027158	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+K"	38.963158
"310832"	93.049217	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+H+K"	39.970434
"706503"	129.581217	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+H+K"	39.970434
"1460612"	56.517217	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H+K"	39.970434
"242404"	188.161826	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+ACN+H"	42.033826
"1221675"	115.097826	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+ACN+H"	42.033826
"1203368"	58.052551	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+ACN+2H"	43.041102
"198425"	191.09916	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+2Na-H"	44.97116
"635796"	264.16316	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+2Na-H"	44.97116
"1139303"	118.03516	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2Na-H"	44.97116
"183686"	96.053218	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+2Na"	45.978436
"623247"	132.585218	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+2Na"	45.978436
"1126752"	59.521218	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2Na"	45.978436
"1406995"	40.0165706666667	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H+2Na"	46.985712
"1432552"	120.076746	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H+HCOOH"	47.012746
"224434"	101.08624	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+3H2O+2H"	56.04448
"1514682"	134.12879	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+IsoProp+H"	61.06479
"411453"	104.040188	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+Na+K"	61.952376
"772816"	140.572188	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+Na+K"	61.952376
"1671699"	67.508188	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Na+K"	61.952376
"254210"	210.143768	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+ACN+Na"	64.015768
"1237128"	137.079768	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+ACN+Na"	64.015768
"1723829"	137.103293	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+NH4+HCOOH"	64.039293
"1188453"	47.3438846666667	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+3Na"	68.967654
"1662722"	142.058688	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Na+HCOOH"	68.994688
"163020"	223.04704	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+2K-H"	76.91904
"597837"	296.11104	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+2K-H"	76.91904
"1084491"	149.98304	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2K-H"	76.91904
"142079"	112.027158	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"2M+2K"	77.926316
"585654"	148.559158	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"3M+2K"	77.926316
"1074542"	75.495158	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2K"	77.926316
"1101553"	151.997592	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2K+H"	78.933592
"1346323"	152.085207	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+DMSO+H"	79.021207
"1013760"	156.124376	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2ACN+H"	83.060376
"1532978"	157.118008	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+IsoProp+Na+H"	84.054008
"1000520"	78.565826	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+2ACN+2H"	84.067652
"1597211"	158.032628	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+K+HCOOH"	84.968628
"1421780"	188.064138	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+H+CF3COOH"	115.000138
"1154255"	99.079101	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+3ACN+2H"	125.094202
"1708181"	205.090685	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+NH4+CF3COOH"	132.026685
"1638362"	210.04608	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+Na+CF3COOH"	136.98208
"1574014"	226.02002	"C02294"	"Methylguanidine"	"C2H7N3"	"73.064"	"M+K+CF3COOH"	152.95602
"803288"	144.0423	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M"	0
"979008"	125.02391	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-H2O-H"	-19.01839
"71627"	95.020924	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M-3H"	-3.021828
"505723"	143.035024	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M-3H"	-3.021828
"883890"	47.006824	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-3H"	-3.021828
"7568"	143.035024	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M-2H"	-2.014552
"444941"	215.056174	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M-2H"	-2.014552
"820919"	71.013874	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-2H"	-2.014552
"82368"	287.077324	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M-H"	-1.007276
"526668"	431.119624	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M-H"	-1.007276
"903377"	143.035024	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-H"	-1.007276
"55564"	304.103871	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M-2H+NH4"	16.019271
"489655"	448.146171	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M-2H+NH4"	16.019271
"866365"	160.061571	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-2H+NH4"	16.019271
"34267"	309.059266	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M-2H+Na"	20.974666
"474920"	453.101566	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M-2H+Na"	20.974666
"853813"	165.016966	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-2H+Na"	20.974666
"1624441"	165.016966	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Na-2H"	20.974666
"100970"	161.023363	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M-H+Cl"	33.962126
"535548"	233.044513	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M-H+Cl"	33.962126
"930765"	89.002213	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-H+Cl"	33.962126
"271507"	323.054002	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+Cl"	34.969402
"667207"	467.096302	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+Cl"	34.969402
"1275969"	179.011702	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Cl"	34.969402
"21084"	325.033206	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M-2H+K"	36.948606
"458097"	469.075506	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M-2H+K"	36.948606
"835167"	180.990906	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-2H+K"	36.948606
"1557688"	180.990906	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+K-2H"	36.948606
"945084"	189.040494	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-H+HCOOH"	44.998194
"365853"	333.082801	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+HCOOH-H"	44.998201
"347184"	347.098451	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+Hac-H"	59.013851
"1499663"	203.056151	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Hac-H"	59.013851
"963196"	211.022451	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-H+NaCOOH"	66.980151
"118302"	179.011702	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+2Cl"	69.938804
"551665"	251.032852	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+2Cl"	69.938804
"1028849"	106.990552	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2Cl"	69.938804
"1249522"	222.961185	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Br"	78.918885
"1308689"	225.017172	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Cl+HCOOH"	80.974872
"1325094"	246.999129	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Cl+NaCOOH"	102.956829
"923807"	257.027886	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M-H+CF3COOH"	112.985586
"1302704"	293.004564	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Cl+CF3COOH"	148.962264
"1381596"	109.029624	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H-2H2O"	-35.012676
"1390713"	127.0396	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H-H2O"	-17.0027
"287120"	289.091876	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+H"	1.007276
"678447"	433.134176	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+H"	1.007276
"1356984"	145.049576	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H"	1.007276
"137526"	145.049576	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+2H"	2.014552
"574900"	217.070726	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+2H"	2.014552
"1041513"	73.028426	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2H"	2.014552
"210506"	97.035476	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+3H"	3.021828
"647879"	145.049576	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+3H"	3.021828
"1165639"	49.021376	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+3H"	3.021828
"429640"	306.118423	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+NH4"	18.033823
"788449"	450.160723	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+NH4"	18.033823
"1686238"	162.076123	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+NH4"	18.033823
"339256"	153.5628495	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+H+NH4"	19.041099
"726938"	225.5839995	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+H+NH4"	19.041099
"1480030"	81.5416995	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H+NH4"	19.041099
"394700"	311.073818	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+Na"	22.989218
"759707"	455.116118	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+Na"	22.989218
"1609993"	167.031518	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Na"	22.989218
"321126"	156.040547	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+H+Na"	23.996494
"717921"	228.061697	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+H+Na"	23.996494
"1467368"	84.019397	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H+Na"	23.996494
"1061713"	56.34869	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2H+Na"	25.00377
"1266306"	177.075786	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+CH3OH+H"	33.033486
"388527"	327.047758	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+K"	38.963158
"752806"	471.090058	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+K"	38.963158
"1553402"	183.005458	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+K"	38.963158
"307660"	164.027517	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+H+K"	39.970434
"706695"	236.048667	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+H+K"	39.970434
"1461087"	92.006367	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H+K"	39.970434
"242514"	330.118426	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+ACN+H"	42.033826
"1221785"	186.076126	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+ACN+H"	42.033826
"1204572"	93.541701	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+ACN+2H"	43.041102
"197442"	333.05576	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+2Na-H"	44.97116
"636999"	477.09806	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+2Na-H"	44.97116
"1138318"	189.01346	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2Na-H"	44.97116
"182702"	167.031518	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+2Na"	45.978436
"625544"	239.052668	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+2Na"	45.978436
"1125768"	95.010368	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2Na"	45.978436
"1406012"	63.676004	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H+2Na"	46.985712
"1438129"	191.055046	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H+HCOOH"	47.012746
"225636"	172.06454	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+3H2O+2H"	56.04448
"1513698"	205.10709	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+IsoProp+H"	61.06479
"412293"	175.018488	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+Na+K"	61.952376
"772926"	247.039638	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+Na+K"	61.952376
"1672903"	102.997338	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Na+K"	61.952376
"253955"	352.100368	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+ACN+Na"	64.015768
"1237602"	208.058068	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+ACN+Na"	64.015768
"1723209"	208.081593	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+NH4+HCOOH"	64.039293
"1189656"	71.003318	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+3Na"	68.967654
"1662832"	213.036988	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Na+HCOOH"	68.994688
"164223"	365.00364	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+2K-H"	76.91904
"597946"	509.04594	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+2K-H"	76.91904
"1087200"	220.96134	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2K-H"	76.91904
"141862"	183.005458	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"2M+2K"	77.926316
"582967"	255.026608	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"3M+2K"	77.926316
"1072462"	110.984308	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2K"	77.926316
"1101049"	222.975892	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2K+H"	78.933592
"1339870"	223.063507	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+DMSO+H"	79.021207
"1014963"	227.102676	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2ACN+H"	83.060376
"1525919"	228.096308	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+IsoProp+Na+H"	84.054008
"999535"	114.054976	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+2ACN+2H"	84.067652
"1590757"	229.010928	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+K+HCOOH"	84.968628
"1415688"	259.042438	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+H+CF3COOH"	115.000138
"1154365"	134.568251	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+3ACN+2H"	125.094202
"1709384"	276.068985	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+NH4+CF3COOH"	132.026685
"1638472"	281.02438	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+Na+CF3COOH"	136.98208
"1573031"	296.99832	"C02295"	"Methylitaconate;2-Methylene-3-methylsuccinate"	"C6H8O4"	"144.0423"	"M+K+CF3COOH"	152.95602
"812147"	175.0633	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M"	0
"989537"	156.04491	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"71743"	115.701590666667	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"505832"	174.056024	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"886915"	57.3471573333333	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"7676"	174.056024	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"446144"	261.587674	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"822852"	86.524374	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"80657"	349.119324	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"528964"	524.182624	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"907860"	174.056024	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"53486"	366.145871	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"494141"	541.209171	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"867567"	191.082571	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"35469"	371.101266	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"475030"	546.164566	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"851739"	196.037966	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1622365"	196.037966	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"95977"	192.044363	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"537357"	279.576013	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"930872"	104.512713	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"269795"	385.096002	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"667318"	560.159302	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1274623"	210.032702	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"15926"	387.075206	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"457479"	562.138506	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"834185"	212.011906	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1556094"	212.011906	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"943978"	220.061494	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"361950"	395.124801	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"345954"	409.140451	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1492780"	234.077151	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"958635"	242.043451	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"114400"	210.032702	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"551047"	297.564352	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1028959"	122.501052	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1247444"	253.982185	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1308800"	256.038172	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1325204"	278.020129	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"918449"	288.048886	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1302451"	324.025564	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1376605"	140.050624	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1393007"	158.0606	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"290509"	351.133876	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"686213"	526.197176	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1363290"	176.070576	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"139823"	176.070576	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"578290"	263.602226	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1044904"	88.538926	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"210616"	117.716142666667	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"653457"	176.070576	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1165750"	59.3617093333333	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"429388"	368.160423	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"792571"	543.223723	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1691088"	193.097123	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"334993"	184.5838495	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"726320"	272.1154995	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1486702"	97.0521995	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"398821"	373.115818	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"764192"	548.179118	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1612291"	198.052518	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"321236"	187.061547	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"713659"	274.593197	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1466387"	99.529897	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1059635"	66.6890233333333	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1263502"	208.096786	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"385357"	389.089758	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"747449"	564.153058	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1553878"	214.026458	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"314020"	195.048517	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"704939"	282.580167	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1448554"	107.516867	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"245904"	392.160426	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1222624"	217.097126	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1203590"	109.052201	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"195365"	395.09776	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"638205"	570.16106	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1143898"	220.03446	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"181718"	198.052518	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"623466"	285.584168	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1120412"	110.520868	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1405029"	74.0163373333333	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1434958"	222.076046	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"223559"	203.08554	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1511985"	236.12809	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"415683"	206.039488	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"775588"	293.571138	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1669733"	118.507838	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"258441"	414.142368	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1237347"	239.079068	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1723317"	239.102593	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1183204"	81.3436513333333	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1665455"	244.057988	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"157886"	427.04564	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"599517"	602.10894	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1089497"	251.98234	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"141934"	214.026458	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"582714"	301.558108	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1070507"	126.494808	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1101893"	253.996892	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1343260"	254.084507	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1011792"	258.123676	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1528824"	259.117308	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"990769"	129.565476	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1595242"	260.031928	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1415070"	290.063438	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1150464"	150.078751	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1700745"	307.089985	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1640772"	312.04538	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1581891"	328.01932	"C02298"	"N-Acetylindoxyl;Acetylindoxyl"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"812257"	107.0735	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M"	0
"988712"	88.05511	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-H2O-H"	-19.01839
"71853"	70.3750573333333	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M-3H"	-3.021828
"503052"	106.066224	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M-3H"	-3.021828
"883745"	34.6838906666667	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-3H"	-3.021828
"4506"	106.066224	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M-2H"	-2.014552
"446254"	159.602974	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M-2H"	-2.014552
"829522"	52.529474	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-2H"	-2.014552
"86234"	213.139724	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M-H"	-1.007276
"532479"	320.213224	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M-H"	-1.007276
"909552"	106.066224	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-H"	-1.007276
"56512"	230.166271	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M-2H+NH4"	16.019271
"495345"	337.239771	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M-2H+NH4"	16.019271
"870959"	123.092771	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-2H+NH4"	16.019271
"39952"	235.121666	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M-2H+Na"	20.974666
"479513"	342.195166	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M-2H+Na"	20.974666
"858409"	128.048166	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-2H+Na"	20.974666
"1630128"	128.048166	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Na-2H"	20.974666
"100098"	124.054563	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M-H+Cl"	33.962126
"542934"	177.591313	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M-H+Cl"	33.962126
"935356"	70.517813	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-H+Cl"	33.962126
"275009"	249.116402	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+Cl"	34.969402
"665974"	356.189902	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+Cl"	34.969402
"1276919"	142.042902	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Cl"	34.969402
"17413"	251.095606	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M-2H+K"	36.948606
"457589"	358.169106	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M-2H+K"	36.948606
"833930"	144.022106	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-2H+K"	36.948606
"1555920"	144.022106	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+K-2H"	36.948606
"944211"	152.071694	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-H+HCOOH"	44.998194
"361938"	259.145201	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+HCOOH-H"	44.998201
"346020"	273.160851	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+Hac-H"	59.013851
"1495507"	166.087351	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Hac-H"	59.013851
"958832"	174.053651	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-H+NaCOOH"	66.980151
"114146"	142.042902	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+2Cl"	69.938804
"551523"	195.579652	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+2Cl"	69.938804
"1029069"	88.506152	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2Cl"	69.938804
"1243179"	185.992385	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Br"	78.918885
"1314377"	188.048372	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Cl+HCOOH"	80.974872
"1327500"	210.030329	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Cl+NaCOOH"	102.956829
"918559"	220.059086	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M-H+CF3COOH"	112.985586
"1299644"	256.035764	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Cl+CF3COOH"	148.962264
"1378902"	72.060824	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H-2H2O"	-35.012676
"1393117"	90.0708	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H-H2O"	-17.0027
"291713"	215.154276	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+H"	1.007276
"685228"	322.227776	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+H"	1.007276
"1364858"	108.080776	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H"	1.007276
"138475"	108.080776	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+2H"	2.014552
"578038"	161.617526	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+2H"	2.014552
"1050120"	54.544026	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2H"	2.014552
"212914"	72.3896093333333	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+3H"	3.021828
"656847"	108.080776	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+3H"	3.021828
"1167319"	36.6984426666667	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+3H"	3.021828
"432779"	232.180823	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+NH4"	18.033823
"794868"	339.254323	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+NH4"	18.033823
"1691198"	125.107323	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+NH4"	18.033823
"339477"	116.5940495	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+H+NH4"	19.041099
"728618"	170.1307995	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+H+NH4"	19.041099
"1489730"	63.0572995	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H+NH4"	19.041099
"404399"	237.136218	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+Na"	22.989218
"763209"	344.209718	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+Na"	22.989218
"1612402"	130.062718	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Na"	22.989218
"321348"	119.071747	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+H+Na"	23.996494
"712677"	172.608497	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+H+Na"	23.996494
"1464311"	65.534997	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H+Na"	23.996494
"1058648"	44.0257566666667	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2H+Na"	25.00377
"1263611"	140.106986	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+CH3OH+H"	33.033486
"385467"	253.110158	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+K"	38.963158
"748652"	360.183658	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+K"	38.963158
"1551799"	146.036658	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+K"	38.963158
"313357"	127.058717	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+H+K"	39.970434
"704318"	180.595467	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+H+K"	39.970434
"1451945"	73.521967	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H+K"	39.970434
"241640"	256.180826	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+ACN+H"	42.033826
"1223099"	149.107326	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+ACN+H"	42.033826
"1201514"	75.057301	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+ACN+2H"	43.041102
"196570"	259.11816	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+2Na-H"	44.97116
"638316"	366.19166	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+2Na-H"	44.97116
"1142915"	152.04466	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2Na-H"	44.97116
"179641"	130.062718	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+2Na"	45.978436
"620294"	183.599468	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+2Na"	45.978436
"1124895"	76.525968	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2Na"	45.978436
"1406961"	51.3530706666667	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H+2Na"	46.985712
"1433975"	154.086246	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H+HCOOH"	47.012746
"224762"	135.09574	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+3H2O+2H"	56.04448
"1512825"	168.13829	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+IsoProp+H"	61.06479
"416886"	138.049688	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+Na+K"	61.952376
"771324"	191.586438	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+Na+K"	61.952376
"1666926"	84.512938	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Na+K"	61.952376
"257458"	278.162768	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+ACN+Na"	64.015768
"1232353"	171.089268	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+ACN+Na"	64.015768
"1719053"	171.112793	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+NH4+HCOOH"	64.039293
"1184408"	58.6803846666667	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+3Na"	68.967654
"1661592"	176.068188	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Na+HCOOH"	68.994688
"158972"	291.06604	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+2K-H"	76.91904
"598896"	398.13954	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+2K-H"	76.91904
"1088513"	183.99254	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2K-H"	76.91904
"143506"	146.036658	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"2M+2K"	77.926316
"584890"	199.573408	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"3M+2K"	77.926316
"1074871"	92.499908	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2K"	77.926316
"1103706"	186.007092	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2K+H"	78.933592
"1345558"	186.094707	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+DMSO+H"	79.021207
"1014089"	190.133876	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2ACN+H"	83.060376
"1530028"	191.127508	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+IsoProp+Na+H"	84.054008
"999755"	95.570576	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+2ACN+2H"	84.067652
"1587448"	192.042128	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+K+HCOOH"	84.968628
"1421014"	222.073638	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+H+CF3COOH"	115.000138
"1152396"	116.083851	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+3ACN+2H"	125.094202
"1699762"	239.100185	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+NH4+CF3COOH"	132.026685
"1640882"	244.05558	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+Na+CF3COOH"	136.98208
"1582001"	260.02952	"C02299"	"N-Methylaniline;N-Methylbenzenamine"	"C7H9N"	"107.0735"	"M+K+CF3COOH"	152.95602
"815167"	108.0687	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M"	0
"982625"	89.05031	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-H2O-H"	-19.01839
"71959"	71.038524	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M-3H"	-3.021828
"506053"	107.061424	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M-3H"	-3.021828
"881668"	35.015624	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-3H"	-3.021828
"2430"	107.061424	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M-2H"	-2.014552
"447457"	161.095774	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M-2H"	-2.014552
"828541"	53.027074	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-2H"	-2.014552
"91810"	215.130124	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M-H"	-1.007276
"529183"	323.198824	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M-H"	-1.007276
"909173"	107.061424	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-H"	-1.007276
"58082"	232.156671	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M-2H+NH4"	16.019271
"498736"	340.225371	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M-2H+NH4"	16.019271
"873256"	124.087971	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-2H+NH4"	16.019271
"38971"	237.112066	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M-2H+Na"	20.974666
"480716"	345.180766	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M-2H+Na"	20.974666
"857425"	129.043366	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-2H+Na"	20.974666
"1626957"	129.043366	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Na-2H"	20.974666
"101300"	125.049763	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M-H+Cl"	33.962126
"541951"	179.084113	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M-H+Cl"	33.962126
"933283"	71.015413	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-H+Cl"	33.962126
"275119"	251.106802	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+Cl"	34.969402
"662079"	359.175502	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+Cl"	34.969402
"1274488"	143.038102	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Cl"	34.969402
"23607"	253.086006	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M-2H+K"	36.948606
"460981"	361.154706	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M-2H+K"	36.948606
"836596"	145.017306	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-2H+K"	36.948606
"1560084"	145.017306	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+K-2H"	36.948606
"946873"	153.066894	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-H+HCOOH"	44.998194
"361931"	261.135601	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+HCOOH-H"	44.998201
"350067"	275.151251	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+Hac-H"	59.013851
"1497807"	167.082551	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Hac-H"	59.013851
"963162"	175.048851	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-H+NaCOOH"	66.980151
"120820"	143.038102	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+2Cl"	69.938804
"554913"	197.072452	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+2Cl"	69.938804
"1031366"	89.003752	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2Cl"	69.938804
"1249850"	186.987585	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Br"	78.918885
"1312299"	189.043572	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Cl+HCOOH"	80.974872
"1327610"	211.025529	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Cl+NaCOOH"	102.956829
"916486"	221.054286	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M-H+CF3COOH"	112.985586
"1291007"	257.030964	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Cl+CF3COOH"	148.962264
"1377553"	73.056024	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H-2H2O"	-35.012676
"1396876"	91.066	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H-H2O"	-17.0027
"292550"	217.144676	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+H"	1.007276
"688254"	325.213376	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+H"	1.007276
"1365332"	109.075976	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H"	1.007276
"138952"	109.075976	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+2H"	2.014552
"579969"	163.110326	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+2H"	2.014552
"1048039"	55.041626	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2H"	2.014552
"213024"	73.053076	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+3H"	3.021828
"652586"	109.075976	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+3H"	3.021828
"1170711"	37.030176	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+3H"	3.021828
"430701"	234.171223	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+NH4"	18.033823
"789510"	342.239923	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+NH4"	18.033823
"1692402"	126.102523	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+NH4"	18.033823
"335213"	117.5892495	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+H+NH4"	19.041099
"736019"	171.6235995	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+H+NH4"	19.041099
"1490205"	63.5548995	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H+NH4"	19.041099
"404148"	239.126618	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+Na"	22.989218
"767333"	347.195318	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+Na"	22.989218
"1614337"	131.057918	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Na"	22.989218
"319271"	120.066947	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+H+Na"	23.996494
"711694"	174.101297	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+H+Na"	23.996494
"1464421"	66.032597	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H+Na"	23.996494
"1061678"	44.35749	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2H+Na"	25.00377
"1264816"	141.102186	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+CH3OH+H"	33.033486
"383394"	255.100558	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+K"	38.963158
"744389"	363.169258	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+K"	38.963158
"1554955"	147.031858	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+K"	38.963158
"312372"	128.053917	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+H+K"	39.970434
"701516"	182.088267	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+H+K"	39.970434
"1450961"	74.019567	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H+K"	39.970434
"245032"	258.171226	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+ACN+H"	42.033826
"1213726"	150.102526	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+ACN+H"	42.033826
"1196881"	75.554901	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+ACN+2H"	43.041102
"196676"	261.10856	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+2Na-H"	44.97116
"638424"	369.17726	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+2Na-H"	44.97116
"1141929"	153.03986	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2Na-H"	44.97116
"183031"	131.057918	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+2Na"	45.978436
"618219"	185.092268	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+2Na"	45.978436
"1120631"	77.023568	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2Na"	45.978436
"1404155"	51.684804	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H+2Na"	46.985712
"1432991"	155.081446	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H+HCOOH"	47.012746
"223779"	136.09094	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+3H2O+2H"	56.04448
"1512935"	169.13349	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+IsoProp+H"	61.06479
"413715"	139.044888	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+Na+K"	61.952376
"778361"	193.079238	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+Na+K"	61.952376
"1675423"	85.010538	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Na+K"	61.952376
"263766"	280.153168	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+ACN+Na"	64.015768
"1235745"	172.084468	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+ACN+Na"	64.015768
"1725726"	172.107993	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+NH4+HCOOH"	64.039293
"1188894"	59.012118	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+3Na"	68.967654
"1651128"	177.063388	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Na+HCOOH"	68.994688
"157991"	293.05644	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+2K-H"	76.91904
"600831"	401.12514	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+2K-H"	76.91904
"1084856"	184.98774	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2K-H"	76.91904
"143009"	147.031858	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"2M+2K"	77.926316
"583908"	201.066208	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"3M+2K"	77.926316
"1072794"	92.997508	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2K"	77.926316
"1103815"	187.002292	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2K+H"	78.933592
"1343481"	187.089907	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+DMSO+H"	79.021207
"1010917"	191.129076	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2ACN+H"	83.060376
"1526856"	192.122708	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+IsoProp+Na+H"	84.054008
"992209"	96.068176	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+2ACN+2H"	84.067652
"1599836"	193.037328	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+K+HCOOH"	84.968628
"1423312"	223.068838	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+H+CF3COOH"	115.000138
"1148132"	116.581451	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+3ACN+2H"	125.094202
"1699872"	240.095385	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+NH4+CF3COOH"	132.026685
"1640992"	245.05078	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+Na+CF3COOH"	136.98208
"1582111"	261.02472	"C02304"	"Phenylhydrazine;Hydrazinobenzene;Phenyldiazane"	"C6H8N2"	"108.0687"	"M+K+CF3COOH"	152.95602
"815762"	211.0358	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M"	0
"989296"	192.01741	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-H2O-H"	-19.01839
"75351"	139.683257333333	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M-3H"	-3.021828
"518152"	210.028524	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M-3H"	-3.021828
"894537"	69.3379906666667	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-3H"	-3.021828
"11289"	210.028524	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M-2H"	-2.014552
"448661"	315.546424	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M-2H"	-2.014552
"829745"	104.510624	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-2H"	-2.014552
"92894"	421.064324	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M-H"	-1.007276
"529293"	632.100124	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M-H"	-1.007276
"910987"	210.028524	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-H"	-1.007276
"60380"	438.090871	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M-2H+NH4"	16.019271
"499940"	649.126671	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M-2H+NH4"	16.019271
"871179"	227.055071	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-2H+NH4"	16.019271
"41268"	443.046266	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M-2H+Na"	20.974666
"480828"	654.082066	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M-2H+Na"	20.974666
"855350"	232.010466	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-2H+Na"	20.974666
"1629255"	232.010466	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Na-2H"	20.974666
"103598"	228.016863	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M-H+Cl"	33.962126
"543158"	333.534763	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M-H+Cl"	33.962126
"932300"	122.498963	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-H+Cl"	33.962126
"275233"	457.041002	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+Cl"	34.969402
"663646"	668.076802	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+Cl"	34.969402
"1274594"	246.005202	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Cl"	34.969402
"16544"	459.020206	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M-2H+K"	36.948606
"455982"	670.056006	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M-2H+K"	36.948606
"833216"	247.984406	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-2H+K"	36.948606
"1562382"	247.984406	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+K-2H"	36.948606
"944795"	256.033994	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-H+HCOOH"	44.998194
"365201"	467.069801	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+HCOOH-H"	44.998201
"353458"	481.085451	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+Hac-H"	59.013851
"1502292"	270.049651	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Hac-H"	59.013851
"964365"	278.015951	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-H+NaCOOH"	66.980151
"119836"	246.005202	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+2Cl"	69.938804
"562676"	351.523102	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+2Cl"	69.938804
"1029289"	140.487302	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2Cl"	69.938804
"1248868"	289.954685	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Br"	78.918885
"1316785"	292.010672	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Cl+HCOOH"	80.974872
"1329908"	313.992629	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Cl+NaCOOH"	102.956829
"916595"	324.021386	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M-H+CF3COOH"	112.985586
"1292209"	359.998064	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Cl+CF3COOH"	148.962264
"1374747"	176.023124	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H-2H2O"	-35.012676
"1395526"	194.0331	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H-H2O"	-17.0027
"290837"	423.078876	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+H"	1.007276
"689459"	634.114676	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+H"	1.007276
"1365079"	212.043076	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H"	1.007276
"140523"	212.043076	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+2H"	2.014552
"580933"	317.560976	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+2H"	2.014552
"1048513"	106.525176	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2H"	2.014552
"219663"	141.697809333333	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+3H"	3.021828
"659669"	212.043076	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+3H"	3.021828
"1173006"	71.3525426666667	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+3H"	3.021828
"432999"	440.105423	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+NH4"	18.033823
"790712"	651.141223	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+NH4"	18.033823
"1693605"	229.069623	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+NH4"	18.033823
"337509"	220.5563495	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+H+NH4"	19.041099
"728838"	326.0742495	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+H+NH4"	19.041099
"1483751"	115.0384495	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H+NH4"	19.041099
"408105"	445.060818	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+Na"	22.989218
"767804"	656.096618	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+Na"	22.989218
"1615901"	234.025018	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Na"	22.989218
"320475"	223.034047	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+H+Na"	23.996494
"715085"	328.551947	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+H+Na"	23.996494
"1470000"	117.516147	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H+Na"	23.996494
"1063245"	78.6798566666667	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2H+Na"	25.00377
"1267112"	244.069286	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+CH3OH+H"	33.033486
"390061"	461.034758	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+K"	38.963158
"751059"	672.070558	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+K"	38.963158
"1554086"	249.998958	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+K"	38.963158
"313576"	231.021017	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+H+K"	39.970434
"699438"	336.538917	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+H+K"	39.970434
"1449978"	125.503117	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H+K"	39.970434
"242956"	464.105426	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+ACN+H"	42.033826
"1215659"	253.069626	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+ACN+H"	42.033826
"1202827"	127.038451	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+ACN+2H"	43.041102
"197882"	467.04276	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+2Na-H"	44.97116
"639629"	678.07856	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+2Na-H"	44.97116
"1143135"	256.00696	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2Na-H"	44.97116
"184604"	234.025018	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+2Na"	45.978436
"623070"	339.542918	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+2Na"	45.978436
"1124024"	128.507118	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2Na"	45.978436
"1407547"	86.0071706666667	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H+2Na"	46.985712
"1436749"	258.048546	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H+HCOOH"	47.012746
"228265"	239.05804	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+3H2O+2H"	56.04448
"1518516"	272.10059	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+IsoProp+H"	61.06479
"417837"	242.011988	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+Na+K"	61.952376
"782849"	347.529888	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+Na+K"	61.952376
"1677722"	136.494088	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Na+K"	61.952376
"259503"	486.087368	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+ACN+Na"	64.015768
"1236585"	275.051568	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+ACN+Na"	64.015768
"1725837"	275.075093	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+NH4+HCOOH"	64.039293
"1190097"	93.3344846666667	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+3Na"	68.967654
"1656705"	280.030488	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Na+HCOOH"	68.994688
"161381"	498.99064	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+2K-H"	76.91904
"600211"	710.02644	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+2K-H"	76.91904
"1085818"	287.95484	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2K-H"	76.91904
"145548"	249.998958	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"2M+2K"	77.926316
"586206"	355.516858	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"3M+2K"	77.926316
"1072905"	144.481058	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2K"	77.926316
"1110123"	289.969392	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2K+H"	78.933592
"1343592"	290.057007	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+DMSO+H"	79.021207
"1011029"	294.096176	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2ACN+H"	83.060376
"1532435"	295.089808	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+IsoProp+Na+H"	84.054008
"1001798"	147.551726	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+2ACN+2H"	84.067652
"1591200"	296.004428	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+K+HCOOH"	84.968628
"1421236"	326.035938	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+H+CF3COOH"	115.000138
"1148972"	168.065001	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+3ACN+2H"	125.094202
"1697794"	343.062485	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+NH4+CF3COOH"	132.026685
"1641102"	348.01788	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+Na+CF3COOH"	136.98208
"1582221"	363.99182	"C02305"	"Phosphocreatine;N-Phosphocreatine;Creatine phosphate"	"C4H10N3O5P"	"211.0358"	"M+K+CF3COOH"	152.95602
"814778"	96.9929	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M"	0
"977378"	77.97451	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-H2O-H"	-19.01839
"68899"	63.6546573333333	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M-3H"	-3.021828
"506273"	95.985624	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M-3H"	-3.021828
"880795"	31.3236906666667	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-3H"	-3.021828
"1556"	95.985624	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M-2H"	-2.014552
"441116"	144.482074	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M-2H"	-2.014552
"825481"	47.489174	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-2H"	-2.014552
"88750"	192.978524	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M-H"	-1.007276
"526123"	289.971424	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M-H"	-1.007276
"910488"	95.985624	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-H"	-1.007276
"55023"	210.005071	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M-2H+NH4"	16.019271
"497863"	306.997971	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M-2H+NH4"	16.019271
"871288"	113.012171	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-2H+NH4"	16.019271
"39191"	214.960466	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M-2H+Na"	20.974666
"480937"	311.953366	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M-2H+Na"	20.974666
"853272"	117.967566	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-2H+Na"	20.974666
"1628272"	117.967566	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Na-2H"	20.974666
"102615"	113.973963	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M-H+Cl"	33.962126
"542174"	162.470413	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M-H+Cl"	33.962126
"932410"	65.477513	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-H+Cl"	33.962126
"274250"	228.955202	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+Cl"	34.969402
"664483"	325.948102	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+Cl"	34.969402
"1274700"	131.962302	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Cl"	34.969402
"17386"	230.934406	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M-2H+K"	36.948606
"456339"	327.927306	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M-2H+K"	36.948606
"833288"	133.941506	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-2H+K"	36.948606
"1559211"	133.941506	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+K-2H"	36.948606
"944541"	141.991094	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-H+HCOOH"	44.998194
"362025"	238.984001	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+HCOOH-H"	44.998201
"353568"	252.999651	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+Hac-H"	59.013851
"1501309"	156.006751	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Hac-H"	59.013851
"964475"	163.973051	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-H+NaCOOH"	66.980151
"119945"	131.962302	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+2Cl"	69.938804
"557318"	180.458752	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+2Cl"	69.938804
"1032679"	83.465852	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2Cl"	69.938804
"1248978"	175.911785	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Br"	78.918885
"1310332"	177.967772	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Cl+HCOOH"	80.974872
"1328922"	199.949729	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Cl+NaCOOH"	102.956829
"914515"	209.978486	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M-H+CF3COOH"	112.985586
"1291590"	245.955164	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Cl+CF3COOH"	148.962264
"1371939"	61.980224	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H-2H2O"	-35.012676
"1390167"	79.9902	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H-H2O"	-17.0027
"290947"	194.993076	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+H"	1.007276
"690662"	291.985976	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+H"	1.007276
"1365917"	98.000176	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H"	1.007276
"140267"	98.000176	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+2H"	2.014552
"580559"	146.496626	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+2H"	2.014552
"1049719"	49.503726	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2H"	2.014552
"218716"	65.6692093333333	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+3H"	3.021828
"658273"	98.000176	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+3H"	3.021828
"1172752"	33.3382426666667	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+3H"	3.021828
"432016"	212.019623	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+NH4"	18.033823
"790822"	309.012523	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+NH4"	18.033823
"1692258"	115.026723	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+NH4"	18.033823
"336526"	106.5134495	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+H+NH4"	19.041099
"728948"	155.0098995	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+H+NH4"	19.041099
"1482768"	58.0169995	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H+NH4"	19.041099
"406918"	216.975018	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+Na"	22.989218
"765727"	313.967918	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+Na"	22.989218
"1609450"	119.982118	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Na"	22.989218
"320587"	108.991147	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+H+Na"	23.996494
"718475"	157.487597	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+H+Na"	23.996494
"1470110"	60.494697	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H+Na"	23.996494
"1062263"	40.6655566666667	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2H+Na"	25.00377
"1267223"	130.026386	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+CH3OH+H"	33.033486
"390171"	232.948958	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+K"	38.963158
"750076"	329.941858	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+K"	38.963158
"1552858"	135.956058	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+K"	38.963158
"310763"	116.978117	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+H+K"	39.970434
"702827"	165.474567	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+H+K"	39.970434
"1450088"	68.481667	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H+K"	39.970434
"241972"	236.019626	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+ACN+H"	42.033826
"1216861"	139.026726	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+ACN+H"	42.033826
"1199655"	70.017001	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+ACN+2H"	43.041102
"196897"	238.95696	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+2Na-H"	44.97116
"635364"	335.94986	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+2Na-H"	44.97116
"1142150"	141.96406	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2Na-H"	44.97116
"182160"	119.982118	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+2Na"	45.978436
"622816"	168.478568	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+2Na"	45.978436
"1123041"	71.485668	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2Na"	45.978436
"1406562"	47.9928706666667	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H+2Na"	46.985712
"1435397"	144.005646	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H+HCOOH"	47.012746
"230560"	125.01514	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+3H2O+2H"	56.04448
"1514250"	158.05769	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+IsoProp+H"	61.06479
"416854"	127.969088	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+Na+K"	61.952376
"780403"	176.465538	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+Na+K"	61.952376
"1676011"	79.472638	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Na+K"	61.952376
"260707"	258.001568	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+ACN+Na"	64.015768
"1235968"	161.008668	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+ACN+Na"	64.015768
"1724490"	161.032193	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+NH4+HCOOH"	64.039293
"1188021"	55.3201846666667	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+3Na"	68.967654
"1654629"	165.987588	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Na+HCOOH"	68.994688
"161491"	270.90484	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+2K-H"	76.91904
"599958"	367.89774	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+2K-H"	76.91904
"1084954"	173.91194	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2K-H"	76.91904
"145658"	135.956058	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"2M+2K"	77.926316
"589596"	184.452508	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"3M+2K"	77.926316
"1075202"	87.459608	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2K"	77.926316
"1107316"	175.926492	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2K+H"	78.933592
"1344797"	176.014107	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+DMSO+H"	79.021207
"1008588"	180.053276	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2ACN+H"	83.060376
"1530358"	181.046908	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+IsoProp+Na+H"	84.054008
"1000085"	90.530276	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+2ACN+2H"	84.067652
"1594590"	181.961528	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+K+HCOOH"	84.968628
"1421346"	211.993038	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+H+CF3COOH"	115.000138
"1147420"	111.043551	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+3ACN+2H"	125.094202
"1697170"	229.019585	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+NH4+CF3COOH"	132.026685
"1641212"	233.97498	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+Na+CF3COOH"	136.98208
"1582331"	249.94892	"C02306"	"Phosphoramidate;Phosphoramidic acid;Amidophosphoric acid;Phosphoramide"	"H2PO3NH2"	"96.9929"	"M+K+CF3COOH"	152.95602
"814891"	354.2406	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M"	0
"978581"	335.22221	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"72289"	235.153124	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"511851"	353.233324	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"894027"	117.072924	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"8226"	353.233324	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"444507"	530.353624	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"826682"	176.113024	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"92141"	707.473924	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"525142"	1061.714524	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"904036"	353.233324	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"58411"	724.500471	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"495786"	1078.741071	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"874682"	370.259871	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"39301"	729.455866	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"482141"	1083.696466	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"861406"	375.215266	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1625102"	375.215266	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"100536"	371.221663	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"547763"	548.341963	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"930342"	194.101363	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"273277"	743.450602	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"673354"	1097.691202	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1278102"	389.210002	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"26126"	745.429806	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"461314"	1099.670406	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"843490"	391.189206	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1564794"	391.189206	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"949395"	399.238794	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"369799"	753.479401	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"354773"	767.495051	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1502513"	413.254451	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"967866"	421.220751	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"117867"	389.210002	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"555242"	566.330302	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1023309"	212.089702	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1253463"	433.159485	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1307530"	435.215472	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1325755"	457.197429	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"913531"	467.226186	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1294980"	503.202864	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1371319"	319.227924	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1391369"	337.2379	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"288869"	709.488476	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"688585"	1063.729076	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1363842"	355.247876	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"139281"	355.247876	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"579207"	532.368176	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1049827"	178.127576	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"214081"	237.167676	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"656194"	355.247876	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1169944"	119.087476	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"432125"	726.515023	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"793121"	1080.755623	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1686168"	372.274423	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"332625"	363.7611495	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"725777"	540.8814495	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1487253"	186.6408495	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"403748"	731.470418	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"767299"	1085.711018	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1612844"	377.229818	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"322878"	366.238847	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"717490"	543.359147	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1473499"	189.118547	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1064558"	126.41479	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1270610"	387.274086	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"382629"	747.444358	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"753107"	1101.684958	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1551880"	393.203758	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"311243"	374.225817	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"702572"	551.346117	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1456758"	197.105517	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"239893"	750.515026	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1213694"	396.274426	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1200862"	198.640851	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"194819"	753.45236	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"635471"	1107.69296	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1135699"	399.21176	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"177896"	377.229818	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"620734"	554.350118	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1122052"	200.109518	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1401205"	133.742104	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1432226"	401.253346	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"229576"	382.26284	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1509983"	415.30539	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"415141"	385.216788	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"782704"	562.337088	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1677576"	208.096488	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"261910"	772.496968	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1237172"	418.256368	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1724963"	418.279893	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1189952"	141.069418	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1662397"	423.235288	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"171080"	785.40024	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"606630"	1139.64084	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1088956"	431.15964	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"155860"	393.203758	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"590802"	570.324058	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1081509"	216.083458	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1115291"	433.174192	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1351105"	433.261807	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1016716"	437.300976	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1533746"	438.294608	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"1000196"	219.154126	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1591420"	439.209228	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1419267"	469.240738	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1149555"	239.667401	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1701300"	486.267285	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1642418"	491.22268	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1579164"	507.19662	"C02314"	"Prostaglandin F2beta;Prostaglandin F2b;Prosta-513-dien-1-oic acid 91115-trihydroxy-(5Z9beta11alpha13E15S)-;5-Heptenoic acid 7-35-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl- stereoisomer;9beta11alpha-PGF2a;9beta11alpha-PGF2alpha;PGF2b;PGF2beta"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"811725"	124.0524	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M"	0
"979790"	105.03401	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"72406"	81.694324	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"511967"	123.045124	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"888678"	40.343524	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"7250"	123.045124	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"448996"	185.071324	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"823518"	61.018924	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"83511"	247.097524	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"526353"	371.149924	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"903061"	123.045124	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"53061"	264.124071	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"496995"	388.176471	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"870787"	140.071671	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"32989"	269.079466	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"472793"	393.131866	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"849175"	145.027066	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1618545"	145.027066	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"94545"	141.033463	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"535974"	203.059663	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"932650"	79.007263	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"275583"	283.074202	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"660465"	407.126602	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1274085"	159.021802	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"16438"	285.053406	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"457051"	409.105806	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"833763"	161.001006	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1556523"	161.001006	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"944042"	169.050594	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"363350"	293.103001	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"351609"	307.118651	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1499354"	183.066251	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"964709"	191.032551	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"117990"	159.021802	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"560832"	221.048002	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1023434"	96.995602	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1243743"	202.971285	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1305825"	205.027272	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1321859"	227.009229	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"915468"	237.037986	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1289626"	273.014664	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1368153"	89.039724	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1384557"	107.0497	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"284972"	249.112076	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"679216"	373.164476	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1353012"	125.059676	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"130639"	125.059676	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"575309"	187.085876	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1047754"	63.033476	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"206908"	83.708876	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"648656"	125.059676	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1168966"	42.358076	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"427868"	266.138623	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"787770"	390.191023	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1686285"	142.086223	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"331651"	133.5729495	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"730270"	195.5991495	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1480077"	71.5467495	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"396210"	271.094018	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"757203"	395.146418	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1604208"	147.041618	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"329210"	136.050647	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"720542"	198.076847	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1475091"	74.024447	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1066873"	49.68539	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1271473"	157.085886	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"390775"	287.067958	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"752132"	411.120358	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1551270"	163.015558	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"306257"	144.037617	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"694302"	206.063817	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1446012"	82.011417	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"238905"	290.138626	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1214892"	166.086226	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1196590"	83.546751	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"193834"	293.07596	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"633393"	417.12836	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1134349"	169.02356	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"175820"	147.041618	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"619760"	209.067818	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1125454"	85.015418	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1405695"	57.012704	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1437811"	171.065146	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"231155"	152.07464	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1517758"	185.11719	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"416352"	155.028588	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"777348"	217.054788	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1672583"	93.002388	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"256917"	312.120568	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1236188"	188.068168	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1723615"	188.091693	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1188239"	64.340018	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1655946"	193.047088	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"168274"	325.02384	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"604555"	449.07624	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1093441"	200.97144	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"146246"	163.015558	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"583259"	225.041758	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1071048"	100.989358	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1100974"	202.985992	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1339555"	203.073607	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1008084"	207.112776	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1526218"	208.106408	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"992667"	104.060026	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1587413"	209.021028	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1423766"	239.052538	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1152962"	124.573301	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1706887"	256.079085	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1649100"	261.03448	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1582561"	277.00842	"C02323"	"Salicyl alcohol;Saligenin;2-Hydroxybenzyl alcohol;2-(Hydroxymethyl)phenol"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"811835"	210.0892	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M"	0
"987191"	191.07081	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-H2O-H"	-19.01839
"74704"	139.052190666667	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M-3H"	-3.021828
"506614"	209.081924	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M-3H"	-3.021828
"887694"	69.0224573333333	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-3H"	-3.021828
"351"	209.081924	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M-2H"	-2.014552
"443641"	314.126524	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M-2H"	-2.014552
"819256"	104.037324	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-2H"	-2.014552
"82529"	419.171124	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M-H"	-1.007276
"520996"	629.260324	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M-H"	-1.007276
"898799"	209.081924	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-H"	-1.007276
"52078"	436.197671	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M-2H+NH4"	16.019271
"491638"	646.286871	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M-2H+NH4"	16.019271
"867263"	226.108471	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-2H+NH4"	16.019271
"36261"	441.153066	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M-2H+Na"	20.974666
"471507"	651.242266	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M-2H+Na"	20.974666
"848526"	231.063866	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-2H+Na"	20.974666
"1619875"	231.063866	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Na-2H"	20.974666
"94452"	227.070263	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M-H+Cl"	33.962126
"534381"	332.114863	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M-H+Cl"	33.962126
"932760"	122.025663	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-H+Cl"	33.962126
"268160"	455.147802	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+Cl"	34.969402
"660945"	665.237002	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+Cl"	34.969402
"1273345"	245.058602	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Cl"	34.969402
"15913"	457.127006	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M-2H+K"	36.948606
"456191"	667.216206	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M-2H+K"	36.948606
"833264"	247.037806	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-2H+K"	36.948606
"1556311"	247.037806	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+K-2H"	36.948606
"944517"	255.087394	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-H+HCOOH"	44.998194
"363825"	465.176601	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+HCOOH-H"	44.998201
"347346"	479.192251	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+Hac-H"	59.013851
"1496184"	269.103051	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Hac-H"	59.013851
"967006"	277.069351	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-H+NaCOOH"	66.980151
"120654"	245.058602	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+2Cl"	69.938804
"560945"	350.103202	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+2Cl"	69.938804
"1026460"	140.014002	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2Cl"	69.938804
"1243488"	289.008085	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Br"	78.918885
"1304325"	291.064072	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Cl+HCOOH"	80.974872
"1319980"	313.046029	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Cl+NaCOOH"	102.956829
"914850"	323.074786	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M-H+CF3COOH"	112.985586
"1290466"	359.051464	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Cl+CF3COOH"	148.962264
"1367902"	175.076524	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H-2H2O"	-35.012676
"1383574"	193.0865	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H-H2O"	-17.0027
"283990"	421.185676	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+H"	1.007276
"678235"	631.274876	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+H"	1.007276
"1353490"	211.096476	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H"	1.007276
"129659"	211.096476	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+2H"	2.014552
"576511"	316.141076	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+2H"	2.014552
"1046769"	106.051876	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2H"	2.014552
"208113"	141.066742666667	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+3H"	3.021828
"649859"	211.096476	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+3H"	3.021828
"1170172"	71.0370093333333	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+3H"	3.021828
"425914"	438.212223	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+NH4"	18.033823
"788974"	648.301423	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+NH4"	18.033823
"1683118"	228.123023	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+NH4"	18.033823
"331032"	219.6097495	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+H+NH4"	19.041099
"729287"	324.6543495	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+H+NH4"	19.041099
"1479826"	114.5651495	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H+NH4"	19.041099
"398507"	443.167618	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+Na"	22.989218
"756224"	653.256818	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+Na"	22.989218
"1615274"	233.078418	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Na"	22.989218
"326405"	222.087447	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+H+Na"	23.996494
"721014"	327.132047	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+H+Na"	23.996494
"1474832"	117.042847	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H+Na"	23.996494
"1067596"	78.3643233333333	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2H+Na"	25.00377
"1272232"	243.122686	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+CH3OH+H"	33.033486
"391249"	459.141558	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+K"	38.963158
"750420"	669.230758	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+K"	38.963158
"1551380"	249.052358	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+K"	38.963158
"305275"	230.074417	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+H+K"	39.970434
"696600"	335.119017	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+H+K"	39.970434
"1445705"	125.029817	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H+K"	39.970434
"236463"	462.212226	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+ACN+H"	42.033826
"1211358"	252.123026	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+ACN+H"	42.033826
"1196700"	126.565151	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+ACN+2H"	43.041102
"192851"	465.14956	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+2Na-H"	44.97116
"631681"	675.23876	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+2Na-H"	44.97116
"1132999"	255.06036	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2Na-H"	44.97116
"174837"	233.078418	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+2Na"	45.978436
"618778"	338.123018	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+2Na"	45.978436
"1126659"	128.033818	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2Na"	45.978436
"1405442"	85.6916373333333	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H+2Na"	46.985712
"1437922"	257.101946	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H+HCOOH"	47.012746
"225432"	238.11144	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+3H2O+2H"	56.04448
"1512401"	271.15399	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+IsoProp+H"	61.06479
"417557"	241.065388	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+Na+K"	61.952376
"773083"	346.109988	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+Na+K"	61.952376
"1670506"	136.020788	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Na+K"	61.952376
"258119"	484.194168	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+ACN+Na"	64.015768
"1230829"	274.104968	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+ACN+Na"	64.015768
"1722996"	274.128493	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+NH4+HCOOH"	64.039293
"1185070"	93.0189513333333	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+3Na"	68.967654
"1658243"	279.083888	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Na+HCOOH"	68.994688
"162916"	497.09744	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+2K-H"	76.91904
"604665"	707.18664	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+2K-H"	76.91904
"1095740"	287.00824	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2K-H"	76.91904
"145264"	249.052358	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"2M+2K"	77.926316
"582516"	354.096958	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"3M+2K"	77.926316
"1072255"	144.007758	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2K"	77.926316
"1104375"	289.022792	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2K+H"	78.933592
"1337842"	289.110407	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+DMSO+H"	79.021207
"1014761"	293.149576	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2ACN+H"	83.060376
"1528516"	294.143208	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+IsoProp+Na+H"	84.054008
"994964"	147.078426	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+2ACN+2H"	84.067652
"1592749"	295.057828	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+K+HCOOH"	84.968628
"1422783"	325.089338	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+H+CF3COOH"	115.000138
"1151979"	167.591701	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+3ACN+2H"	125.094202
"1705904"	342.115885	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+NH4+CF3COOH"	132.026685
"1649210"	347.07128	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+Na+CF3COOH"	136.98208
"1582671"	363.04522	"C02325"	"Sinapyl alcohol;Sinapoyl alcohol"	"C11H14O4"	"210.0892"	"M+K+CF3COOH"	152.95602
"816323"	279.0871	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M"	0
"989613"	260.06871	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-H2O-H"	-19.01839
"67164"	185.050790666667	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M-3H"	-3.021828
"513283"	278.079824	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M-3H"	-3.021828
"885618"	92.0217573333333	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-3H"	-3.021828
"3098"	278.079824	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M-2H"	-2.014552
"443755"	417.623374	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M-2H"	-2.014552
"820462"	138.536274	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-2H"	-2.014552
"82637"	557.166924	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M-H"	-1.007276
"522196"	836.254024	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M-H"	-1.007276
"901091"	278.079824	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-H"	-1.007276
"50728"	574.193471	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M-2H+NH4"	16.019271
"492853"	853.280571	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M-2H+NH4"	16.019271
"877949"	295.106371	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-2H+NH4"	16.019271
"39652"	579.148866	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M-2H+Na"	20.974666
"472650"	858.235966	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M-2H+Na"	20.974666
"851545"	300.061766	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-2H+Na"	20.974666
"1618600"	300.061766	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Na-2H"	20.974666
"101983"	296.068163	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M-H+Cl"	33.962126
"534654"	435.611713	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M-H+Cl"	33.962126
"931780"	156.524613	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-H+Cl"	33.962126
"267236"	593.143602	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+Cl"	34.969402
"660091"	872.230702	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+Cl"	34.969402
"1272791"	314.056502	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Cl"	34.969402
"16984"	595.122806	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M-2H+K"	36.948606
"456178"	874.209906	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M-2H+K"	36.948606
"833378"	316.035706	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-2H+K"	36.948606
"1556010"	316.035706	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+K-2H"	36.948606
"944262"	324.085294	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-H+HCOOH"	44.998194
"362840"	603.172401	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+HCOOH-H"	44.998201
"351836"	617.188051	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+Hac-H"	59.013851
"1497388"	338.100951	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Hac-H"	59.013851
"963471"	346.067251	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-H+NaCOOH"	66.980151
"115658"	314.056502	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+2Cl"	69.938804
"558868"	453.600052	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+2Cl"	69.938804
"1024748"	174.512952	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2Cl"	69.938804
"1241405"	358.005985	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Br"	78.918885
"1304949"	360.061972	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Cl+HCOOH"	80.974872
"1320500"	382.043929	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Cl+NaCOOH"	102.956829
"913138"	392.072686	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M-H+CF3COOH"	112.985586
"1290575"	428.049364	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Cl+CF3COOH"	148.962264
"1368741"	244.074424	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H-2H2O"	-35.012676
"1385873"	262.0844	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H-H2O"	-17.0027
"284828"	559.181476	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+H"	1.007276
"678344"	838.268576	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+H"	1.007276
"1355787"	280.094376	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H"	1.007276
"129771"	280.094376	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+2H"	2.014552
"567875"	419.637926	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+2H"	2.014552
"1039230"	140.550826	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2H"	2.014552
"210412"	187.065342666667	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+3H"	3.021828
"651065"	280.094376	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+3H"	3.021828
"1164086"	94.0363093333333	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+3H"	3.021828
"426024"	576.208023	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+NH4"	18.033823
"787989"	855.295123	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+NH4"	18.033823
"1683228"	297.120923	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+NH4"	18.033823
"333691"	288.6076495	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+H+NH4"	19.041099
"726114"	428.1511995	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+H+NH4"	19.041099
"1482127"	149.0640995	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H+NH4"	19.041099
"398619"	581.163418	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+Na"	22.989218
"762915"	860.250518	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+Na"	22.989218
"1613930"	302.076318	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Na"	22.989218
"325422"	291.085347	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+H+Na"	23.996494
"720393"	430.628897	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+H+Na"	23.996494
"1473853"	151.541797	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H+Na"	23.996494
"1064183"	101.363623333333	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2H+Na"	25.00377
"1271570"	312.120586	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+CH3OH+H"	33.033486
"390270"	597.137358	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+K"	38.963158
"746155"	876.224458	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+K"	38.963158
"1544925"	318.050258	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+K"	38.963158
"302101"	299.072317	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+H+K"	39.970434
"691676"	438.615867	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+H+K"	39.970434
"1445904"	159.528767	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H+K"	39.970434
"236935"	600.208026	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+ACN+H"	42.033826
"1211832"	321.120926	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+ACN+H"	42.033826
"1196081"	161.064101	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+ACN+2H"	43.041102
"191138"	603.14536	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+2Na-H"	44.97116
"631432"	882.23246	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+2Na-H"	44.97116
"1133846"	324.05826	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2Na-H"	44.97116
"176048"	302.076318	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+2Na"	45.978436
"618887"	441.619868	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+2Na"	45.978436
"1123487"	162.532768	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2Na"	45.978436
"1403731"	108.690937333333	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H+2Na"	46.985712
"1438036"	326.099846	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H+HCOOH"	47.012746
"224450"	307.10934	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+3H2O+2H"	56.04448
"1509231"	340.15189	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+IsoProp+H"	61.06479
"412199"	310.063288	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+Na+K"	61.952376
"773192"	449.606838	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+Na+K"	61.952376
"1666242"	170.519738	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Na+K"	61.952376
"258230"	622.189968	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+ACN+Na"	64.015768
"1229847"	343.102868	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+ACN+Na"	64.015768
"1719826"	343.126393	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+NH4+HCOOH"	64.039293
"1182994"	116.018251333333	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+3Na"	68.967654
"1658354"	348.081788	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Na+HCOOH"	68.994688
"159748"	635.09324	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+2K-H"	76.91904
"600037"	914.18034	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+2K-H"	76.91904
"1095850"	356.00614	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2K-H"	76.91904
"148293"	318.050258	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"2M+2K"	77.926316
"585667"	457.593808	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"3M+2K"	77.926316
"1073460"	178.506708	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2K"	77.926316
"1107766"	358.020692	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2K+H"	78.933592
"1345249"	358.108307	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+DMSO+H"	79.021207
"1008312"	362.147476	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2ACN+H"	83.060376
"1531906"	363.141108	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+IsoProp+Na+H"	84.054008
"992887"	181.577376	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+2ACN+2H"	84.067652
"1593953"	364.055728	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+K+HCOOH"	84.968628
"1414872"	394.087238	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+H+CF3COOH"	115.000138
"1154275"	202.090651	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+3ACN+2H"	125.094202
"1704921"	411.113785	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+NH4+CF3COOH"	132.026685
"1649319"	416.06918	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+Na+CF3COOH"	136.98208
"1582783"	432.04312	"C02328"	"Tolmetin sodium"	"C15H14NO3Na"	"279.0871"	"M+K+CF3COOH"	152.95602
"812056"	580.0343	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M"	0
"982308"	561.01591	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-H2O-H"	-19.01839
"63264"	385.682257333333	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M-3H"	-3.021828
"510113"	579.027024	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M-3H"	-3.021828
"882445"	192.337490666667	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-3H"	-3.021828
"1018"	579.027024	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H"	-2.014552
"443861"	869.044174	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H"	-2.014552
"822757"	289.009874	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-2H"	-2.014552
"81288"	1159.061324	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M-H"	-1.007276
"519877"	1739.095624	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M-H"	-1.007276
"902297"	579.027024	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-H"	-1.007276
"51204"	1176.087871	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+NH4"	16.019271
"494057"	1756.122171	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+NH4"	16.019271
"878669"	596.053571	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-2H+NH4"	16.019271
"42678"	1181.043266	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+Na"	20.974666
"472191"	1761.077566	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+Na"	20.974666
"858217"	601.008966	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-2H+Na"	20.974666
"1621189"	601.008966	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Na-2H"	20.974666
"98813"	597.015363	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M-H+Cl"	33.962126
"534968"	887.032513	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M-H+Cl"	33.962126
"931890"	306.998213	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-H+Cl"	33.962126
"268012"	1195.038002	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+Cl"	34.969402
"662138"	1775.072302	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+Cl"	34.969402
"1273720"	615.003702	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl"	34.969402
"18556"	1197.017206	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M-2H+K"	36.948606
"456085"	1777.051506	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M-2H+K"	36.948606
"834462"	616.982906	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-2H+K"	36.948606
"1557585"	616.982906	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+K-2H"	36.948606
"944738"	625.032494	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-H+HCOOH"	44.998194
"364047"	1205.066801	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+HCOOH-H"	44.998201
"351946"	1219.082451	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+Hac-H"	59.013851
"1496405"	639.048151	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Hac-H"	59.013851
"967228"	647.014451	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-H+NaCOOH"	66.980151
"118323"	615.003702	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+2Cl"	69.938804
"557517"	905.020852	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+2Cl"	69.938804
"1023399"	324.986552	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2Cl"	69.938804
"1244437"	658.953185	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Br"	78.918885
"1304815"	661.009172	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+HCOOH"	80.974872
"1320366"	682.991129	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+NaCOOH"	102.956829
"912518"	693.019886	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M-H+CF3COOH"	112.985586
"1288866"	728.996564	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Cl+CF3COOH"	148.962264
"1371405"	545.021624	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H-2H2O"	-35.012676
"1383068"	563.0316	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H-H2O"	-17.0027
"283119"	1161.075876	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+H"	1.007276
"675905"	1741.110176	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+H"	1.007276
"1358087"	581.041576	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H"	1.007276
"133162"	581.041576	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+2H"	2.014552
"571631"	871.058726	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+2H"	2.014552
"1041526"	291.024426	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2H"	2.014552
"210522"	387.696809333333	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+3H"	3.021828
"657372"	581.041576	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+3H"	3.021828
"1164927"	194.352042666667	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+3H"	3.021828
"426134"	1178.102423	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+NH4"	18.033823
"789193"	1758.136723	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+NH4"	18.033823
"1684432"	598.068123	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+NH4"	18.033823
"332708"	589.5548495	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+H+NH4"	19.041099
"727321"	879.5719995	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+H+NH4"	19.041099
"1482237"	299.5376995	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H+NH4"	19.041099
"398732"	1183.057818	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+Na"	22.989218
"764118"	1763.092118	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+Na"	22.989218
"1615497"	603.023518	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Na"	22.989218
"326625"	592.032547	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+H+Na"	23.996494
"720506"	882.049697	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+H+Na"	23.996494
"1474692"	302.015397	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H+Na"	23.996494
"1064658"	201.679356666667	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2H+Na"	25.00377
"1270348"	613.067786	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+CH3OH+H"	33.033486
"391108"	1199.031758	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+K"	38.963158
"752830"	1779.066058	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+K"	38.963158
"1551599"	618.997458	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+K"	38.963158
"304402"	600.019517	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+H+K"	39.970434
"699008"	890.036667	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+H+K"	39.970434
"1446629"	310.002367	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H+K"	39.970434
"236323"	1202.102426	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+ACN+H"	42.033826
"1211217"	622.068126	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+H"	42.033826
"1195830"	311.537701	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+2H"	43.041102
"193073"	1205.03976	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+2Na-H"	44.97116
"631542"	1785.07406	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+2Na-H"	44.97116
"1133956"	625.00546	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2Na-H"	44.97116
"176158"	603.023518	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+2Na"	45.978436
"622279"	893.040668	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+2Na"	45.978436
"1126879"	313.006368	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2Na"	45.978436
"1408216"	209.006670666667	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H+2Na"	46.985712
"1437053"	627.047046	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H+HCOOH"	47.012746
"221281"	608.05654	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+3H2O+2H"	56.04448
"1515904"	641.09909	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+IsoProp+H"	61.06479
"411214"	611.010488	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+Na+K"	61.952376
"770628"	901.027638	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+Na+K"	61.952376
"1665786"	320.993338	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Na+K"	61.952376
"255061"	1224.084368	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+ACN+Na"	64.015768
"1229957"	644.050068	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+ACN+Na"	64.015768
"1717750"	644.073593	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+NH4+HCOOH"	64.039293
"1180917"	216.333984666667	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+3Na"	68.967654
"1656278"	649.028988	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Na+HCOOH"	68.994688
"168608"	1236.98764	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+2K-H"	76.91904
"609992"	1817.02194	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+2K-H"	76.91904
"1097054"	656.95334	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2K-H"	76.91904
"147310"	618.997458	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"2M+2K"	77.926316
"587964"	909.014608	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"3M+2K"	77.926316
"1079042"	328.980308	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2K"	77.926316
"1102410"	658.967892	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2K+H"	78.933592
"1342079"	659.055507	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+DMSO+H"	79.021207
"1016079"	663.094676	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2ACN+H"	83.060376
"1530924"	664.088308	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+IsoProp+Na+H"	84.054008
"994092"	332.050976	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+2ACN+2H"	84.067652
"1587623"	665.002928	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+K+HCOOH"	84.968628
"1418629"	695.034438	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+H+CF3COOH"	115.000138
"1151105"	352.564251	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+3ACN+2H"	125.094202
"1705031"	712.060985	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+NH4+CF3COOH"	132.026685
"1646148"	717.01638	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+Na+CF3COOH"	136.98208
"1582892"	732.99032	"C02330"	"UDP-L-iduronate"	"C15H22N2O18P2"	"580.0343"	"M+K+CF3COOH"	152.95602
"812166"	835.1414	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M"	0
"982418"	816.12301	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H2O-H"	-19.01839
"63375"	555.753657333333	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-3H"	-3.021828
"512409"	834.134124	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-3H"	-3.021828
"885835"	277.373190666667	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-3H"	-3.021828
"2222"	834.134124	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H"	-2.014552
"445064"	1251.704824	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H"	-2.014552
"820680"	416.563424	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H"	-2.014552
"80789"	1669.275524	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H"	-1.007276
"520471"	2504.416924	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H"	-1.007276
"900221"	834.134124	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H"	-1.007276
"50584"	1686.302071	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+NH4"	16.019271
"494167"	2521.443471	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+NH4"	16.019271
"877078"	851.160671	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+NH4"	16.019271
"42059"	1691.257466	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+Na"	20.974666
"475057"	2526.398866	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+Na"	20.974666
"857234"	856.116066	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+Na"	20.974666
"1622393"	856.116066	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na-2H"	20.974666
"98923"	852.122463	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H+Cl"	33.962126
"535930"	1269.693163	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H+Cl"	33.962126
"932000"	434.551763	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+Cl"	33.962126
"269094"	1705.252202	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Cl"	34.969402
"662248"	2540.393602	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Cl"	34.969402
"1274159"	870.110802	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl"	34.969402
"18666"	1707.231406	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+K"	36.948606
"457495"	2542.372806	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+K"	36.948606
"834936"	872.090006	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+K"	36.948606
"1558423"	872.090006	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K-2H"	36.948606
"944119"	880.139594	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+HCOOH"	44.998194
"364523"	1715.281001	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+HCOOH-H"	44.998201
"352056"	1729.296651	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Hac-H"	59.013851
"1498702"	894.155251	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Hac-H"	59.013851
"966245"	902.121551	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+NaCOOH"	66.980151
"120618"	870.110802	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Cl"	69.938804
"555806"	1287.681502	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Cl"	69.938804
"1025699"	452.540102	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Cl"	69.938804
"1244912"	914.060285	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Br"	78.918885
"1305288"	916.116272	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+HCOOH"	80.974872
"1322665"	938.098229	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+NaCOOH"	102.956829
"912993"	948.126986	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+CF3COOH"	112.985586
"1288935"	984.103664	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+CF3COOH"	148.962264
"1371879"	800.128724	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-2H2O"	-35.012676
"1384635"	818.1387	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-H2O"	-17.0027
"284806"	1671.290076	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H"	1.007276
"678929"	2506.431476	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H"	1.007276
"1358561"	836.148676	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H"	1.007276
"132908"	836.148676	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2H"	2.014552
"572836"	1253.719376	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2H"	2.014552
"1042729"	418.577976	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H"	2.014552
"209539"	557.768209333333	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H"	3.021828
"657846"	836.148676	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+3H"	3.021828
"1167223"	279.387742666667	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3H"	3.021828
"428308"	1688.316623	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+NH4"	18.033823
"791489"	2523.458023	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+NH4"	18.033823
"1683450"	853.175223	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4"	18.033823
"335004"	844.6619495	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+NH4"	19.041099
"727427"	1262.2326495	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+NH4"	19.041099
"1485627"	427.0912495	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+NH4"	19.041099
"398842"	1693.272018	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na"	22.989218
"764228"	2528.413418	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na"	22.989218
"1617675"	858.130618	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na"	22.989218
"328922"	847.139647	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+Na"	23.996494
"720251"	1264.710347	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+Na"	23.996494
"1474804"	429.568947	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+Na"	23.996494
"1066955"	286.715056666667	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H+Na"	25.00377
"1271309"	868.174886	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+CH3OH+H"	33.033486
"391826"	1709.245958	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+K"	38.963158
"752215"	2544.387358	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+K"	38.963158
"1555356"	874.104558	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K"	38.963158
"308885"	855.126617	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+K"	39.970434
"699118"	1272.697317	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+K"	39.970434
"1447104"	437.555917	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+K"	39.970434
"237403"	1712.316626	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+H"	42.033826
"1212420"	877.175226	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+H"	42.033826
"1200313"	439.091251	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+2H"	43.041102
"192090"	1715.25396	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na-H"	44.97116
"631652"	2550.39536	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na-H"	44.97116
"1137347"	880.11256	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na-H"	44.97116
"178452"	858.130618	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na"	45.978436
"622389"	1275.701318	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na"	45.978436
"1128082"	440.559918	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na"	45.978436
"1408325"	294.042370666667	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+2Na"	46.985712
"1434976"	882.154146	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+HCOOH"	47.012746
"225765"	863.16364	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H2O+2H"	56.04448
"1516014"	896.20619	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+H"	61.06479
"412416"	866.117588	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na+K"	61.952376
"773413"	1283.688288	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na+K"	61.952376
"1667558"	448.546888	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+K"	61.952376
"255171"	1734.298568	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+Na"	64.015768
"1238451"	899.157168	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+Na"	64.015768
"1717860"	899.180693	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+HCOOH"	64.039293
"1181755"	301.369684666667	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3Na"	68.967654
"1656388"	904.136088	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+HCOOH"	68.994688
"169811"	1747.20184	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K-H"	76.91904
"608278"	2582.34324	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K-H"	76.91904
"1097164"	912.06044	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K-H"	76.91904
"146326"	874.104558	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K"	77.926316
"589167"	1291.675258	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K"	77.926316
"1079152"	456.533858	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K"	77.926316
"1104706"	914.074992	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K+H"	78.933592
"1345469"	914.162607	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+DMSO+H"	79.021207
"1014002"	918.201776	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+H"	83.060376
"1528847"	919.195408	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+Na+H"	84.054008
"994202"	459.604526	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+2H"	84.067652
"1594173"	920.110028	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+HCOOH"	84.968628
"1420926"	950.141538	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+CF3COOH"	115.000138
"1151215"	480.117801	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3ACN+2H"	125.094202
"1705141"	967.168085	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+CF3COOH"	132.026685
"1646259"	972.12348	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+CF3COOH"	136.98208
"1583002"	988.09742	"C02331"	"Vinylacetyl-CoA;3-Butenoyl-CoA;But-3-enoyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+CF3COOH"	152.95602
"805715"	238.0702	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M"	0
"981436"	219.05181	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-H2O-H"	-19.01839
"75145"	157.706190666667	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M-3H"	-3.021828
"511424"	237.062924	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M-3H"	-3.021828
"884851"	78.3494573333333	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-3H"	-3.021828
"7802"	237.062924	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M-2H"	-2.014552
"448456"	356.098024	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M-2H"	-2.014552
"818603"	118.027824	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-2H"	-2.014552
"78597"	475.133124	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M-H"	-1.007276
"519249"	713.203324	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M-H"	-1.007276
"895997"	237.062924	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-H"	-1.007276
"53622"	492.159671	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M-2H+NH4"	16.019271
"494278"	730.229871	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M-2H+NH4"	16.019271
"876822"	254.089471	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-2H+NH4"	16.019271
"36701"	497.115066	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M-2H+Na"	20.974666
"475167"	735.185266	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M-2H+Na"	20.974666
"849563"	259.044866	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-2H+Na"	20.974666
"1618975"	259.044866	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Na-2H"	20.974666
"94900"	255.051263	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M-H+Cl"	33.962126
"534944"	374.086363	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M-H+Cl"	33.962126
"931014"	136.016163	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-H+Cl"	33.962126
"269935"	511.109802	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+Cl"	34.969402
"666004"	749.180002	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+Cl"	34.969402
"1278407"	273.039602	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Cl"	34.969402
"19869"	513.089006	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M-2H+K"	36.948606
"457971"	751.159206	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M-2H+K"	36.948606
"837597"	275.018806	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-2H+K"	36.948606
"1559261"	275.018806	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+K-2H"	36.948606
"943863"	283.068394	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-H+HCOOH"	44.998194
"366097"	521.138601	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+HCOOH-H"	44.998201
"346693"	535.154251	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+Hac-H"	59.013851
"1494069"	297.084051	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Hac-H"	59.013851
"961613"	305.050351	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-H+NaCOOH"	66.980151
"117451"	273.039602	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+2Cl"	69.938804
"557011"	392.074702	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+2Cl"	69.938804
"1026173"	154.004502	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2Cl"	69.938804
"1243196"	316.989085	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Br"	78.918885
"1307104"	319.045072	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Cl+HCOOH"	80.974872
"1326425"	341.027029	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Cl+NaCOOH"	102.956829
"913471"	351.055786	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M-H+CF3COOH"	112.985586
"1290180"	387.032464	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Cl+CF3COOH"	148.962264
"1370891"	203.057524	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H-2H2O"	-35.012676
"1388752"	221.0675	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H-H2O"	-17.0027
"286984"	477.147676	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+H"	1.007276
"681955"	715.217876	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+H"	1.007276
"1356118"	239.077476	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H"	1.007276
"129010"	239.077476	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+2H"	2.014552
"568572"	358.112576	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+2H"	2.014552
"1040653"	120.042376	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2H"	2.014552
"210743"	159.720742666667	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+3H"	3.021828
"649212"	239.077476	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+3H"	3.021828
"1164297"	80.3640093333333	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+3H"	3.021828
"426233"	494.174223	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+NH4"	18.033823
"789414"	732.244423	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+NH4"	18.033823
"1686839"	256.104023	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+NH4"	18.033823
"332927"	247.5907495	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+H+NH4"	19.041099
"729730"	366.6258495	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+H+NH4"	19.041099
"1485737"	128.5556495	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H+NH4"	19.041099
"400057"	499.129618	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+Na"	22.989218
"765430"	737.199818	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+Na"	22.989218
"1615351"	261.059418	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Na"	22.989218
"327214"	250.068447	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+H+Na"	23.996494
"720362"	369.103547	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+H+Na"	23.996494
"1473092"	131.033347	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H+Na"	23.996494
"1065610"	87.6913233333333	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2H+Na"	25.00377
"1270200"	271.103686	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+CH3OH+H"	33.033486
"389863"	515.103558	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+K"	38.963158
"752322"	753.173758	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+K"	38.963158
"1554739"	277.033358	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+K"	38.963158
"308995"	258.055417	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+H+K"	39.970434
"697042"	377.090517	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+H+K"	39.970434
"1447580"	139.020317	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H+K"	39.970434
"238729"	518.174226	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+ACN+H"	42.033826
"1212530"	280.104026	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+ACN+H"	42.033826
"1198237"	140.555651	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+ACN+2H"	43.041102
"190377"	521.11156	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+2Na-H"	44.97116
"637231"	759.18176	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+2Na-H"	44.97116
"1139644"	283.04136	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2Na-H"	44.97116
"180750"	261.059418	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+2Na"	45.978436
"622499"	380.094518	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+2Na"	45.978436
"1127100"	142.024318	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2Na"	45.978436
"1405157"	95.0186373333333	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H+2Na"	46.985712
"1437273"	285.082946	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H+HCOOH"	47.012746
"225873"	266.09244	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+3H2O+2H"	56.04448
"1512838"	299.13499	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+IsoProp+H"	61.06479
"415804"	269.046388	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+Na+K"	61.952376
"772430"	388.081488	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+Na+K"	61.952376
"1670945"	150.011288	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Na+K"	61.952376
"254549"	540.156168	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+ACN+Na"	64.015768
"1231269"	302.085968	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+ACN+Na"	64.015768
"1717968"	302.109493	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+NH4+HCOOH"	64.039293
"1181864"	102.345951333333	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+3Na"	68.967654
"1653216"	307.064888	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Na+HCOOH"	68.994688
"164453"	553.05944	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+2K-H"	76.91904
"600003"	791.12964	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+2K-H"	76.91904
"1089621"	314.98924	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2K-H"	76.91904
"143520"	277.033358	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"2M+2K"	77.926316
"590373"	396.068458	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"3M+2K"	77.926316
"1075982"	157.998258	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2K"	77.926316
"1108100"	317.003792	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2K+H"	78.933592
"1346675"	317.091407	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+DMSO+H"	79.021207
"1019213"	321.130576	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2ACN+H"	83.060376
"1533330"	322.124208	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+IsoProp+Na+H"	84.054008
"998685"	161.068926	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+2ACN+2H"	84.067652
"1591001"	323.038828	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+K+HCOOH"	84.968628
"1417755"	353.070338	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+H+CF3COOH"	115.000138
"1155699"	181.582201	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+3ACN+2H"	125.094202
"1706343"	370.096885	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+NH4+CF3COOH"	132.026685
"1644181"	375.05228	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+Na+CF3COOH"	136.98208
"1583114"	391.02622	"C02333"	"Xanthopterin-B2;1-(78-Dihydro-24-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one"	"C9H10N4O4"	"238.0702"	"M+K+CF3COOH"	152.95602
"803639"	621.3023	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M"	0
"978265"	602.28391	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-H2O-H"	-19.01839
"71974"	413.194257333333	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M-3H"	-3.021828
"510441"	620.295024	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M-3H"	-3.021828
"884961"	206.093490666667	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-3H"	-3.021828
"5726"	620.295024	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M-2H"	-2.014552
"447473"	930.946174	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M-2H"	-2.014552
"817620"	309.643874	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-2H"	-2.014552
"79306"	1241.597324	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M-H"	-1.007276
"519359"	1862.899624	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M-H"	-1.007276
"896672"	620.295024	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-H"	-1.007276
"50451"	1258.623871	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M-2H+NH4"	16.019271
"487580"	1879.926171	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M-2H+NH4"	16.019271
"876203"	637.321571	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-2H+NH4"	16.019271
"36811"	1263.579266	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M-2H+Na"	20.974666
"473089"	1884.881566	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M-2H+Na"	20.974666
"849189"	642.276966	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-2H+Na"	20.974666
"1618965"	642.276966	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Na-2H"	20.974666
"94561"	638.283363	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M-H+Cl"	33.962126
"534565"	948.934513	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M-H+Cl"	33.962126
"931124"	327.632213	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-H+Cl"	33.962126
"269680"	1277.574002	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+Cl"	34.969402
"663927"	1898.876302	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+Cl"	34.969402
"1276329"	656.271702	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Cl"	34.969402
"19979"	1279.553206	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M-2H+K"	36.948606
"457352"	1900.855506	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M-2H+K"	36.948606
"837705"	658.250906	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-2H+K"	36.948606
"1556817"	658.250906	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+K-2H"	36.948606
"944336"	666.300494	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-H+HCOOH"	44.998194
"363650"	1287.602801	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+HCOOH-H"	44.998201
"346804"	1301.618451	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+Hac-H"	59.013851
"1494180"	680.316151	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Hac-H"	59.013851
"958842"	688.282451	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-H+NaCOOH"	66.980151
"121933"	656.271702	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+2Cl"	69.938804
"556028"	966.922852	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+2Cl"	69.938804
"1027012"	345.620552	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2Cl"	69.938804
"1243671"	700.221185	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Br"	78.918885
"1306121"	702.277172	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Cl+HCOOH"	80.974872
"1326535"	724.259129	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Cl+NaCOOH"	102.956829
"914308"	734.287886	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M-H+CF3COOH"	112.985586
"1290653"	770.264564	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Cl+CF3COOH"	148.962264
"1371001"	586.289624	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H-2H2O"	-35.012676
"1385582"	604.2996	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H-H2O"	-17.0027
"287457"	1243.611876	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+H"	1.007276
"682066"	1864.914176	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+H"	1.007276
"1354041"	622.309576	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H"	1.007276
"129120"	622.309576	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+2H"	2.014552
"568682"	932.960726	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+2H"	2.014552
"1040762"	311.658426	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2H"	2.014552
"209759"	415.208809333333	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+3H"	3.021828
"650415"	622.309576	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+3H"	3.021828
"1165258"	208.108042666667	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+3H"	3.021828
"424682"	1260.638423	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+NH4"	18.033823
"788431"	1881.940723	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+NH4"	18.033823
"1684763"	639.336123	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+NH4"	18.033823
"331215"	630.8228495	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+H+NH4"	19.041099
"728747"	941.4739995	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+H+NH4"	19.041099
"1485847"	320.1716995	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H+NH4"	19.041099
"400167"	1265.593818	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+Na"	22.989218
"765536"	1886.896118	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+Na"	22.989218
"1616191"	644.291518	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Na"	22.989218
"328418"	633.300547	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+H+Na"	23.996494
"721565"	943.951697	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+H+Na"	23.996494
"1474298"	322.649397	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H+Na"	23.996494
"1066449"	215.435356666667	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2H+Na"	25.00377
"1270311"	654.335786	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+CH3OH+H"	33.033486
"390338"	1281.567758	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+K"	38.963158
"753973"	1902.870058	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+K"	38.963158
"1554481"	660.265458	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+K"	38.963158
"309105"	641.287517	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+H+K"	39.970434
"698245"	951.938667	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+H+K"	39.970434
"1448783"	330.636367	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H+K"	39.970434
"239568"	1284.638426	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+ACN+H"	42.033826
"1212276"	663.336126	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+ACN+H"	42.033826
"1199440"	332.171701	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+ACN+2H"	43.041102
"190123"	1287.57576	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+2Na-H"	44.97116
"638434"	1908.87806	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+2Na-H"	44.97116
"1142669"	666.27346	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2Na-H"	44.97116
"185232"	644.291518	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+2Na"	45.978436
"625160"	954.942668	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+2Na"	45.978436
"1125023"	333.640368	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2Na"	45.978436
"1406360"	222.762670666667	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H+2Na"	46.985712
"1438474"	668.315046	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H+HCOOH"	47.012746
"229261"	649.32454	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+3H2O+2H"	56.04448
"1514041"	682.36709	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+IsoProp+H"	61.06479
"414822"	652.278488	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+Na+K"	61.952376
"779098"	962.929638	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+Na+K"	61.952376
"1674334"	341.627338	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Na+K"	61.952376
"257574"	1306.620368	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+ACN+Na"	64.015768
"1231379"	685.318068	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+ACN+Na"	64.015768
"1718078"	685.341593	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+NH4+HCOOH"	64.039293
"1182703"	230.089984666667	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+3Na"	68.967654
"1653324"	690.296988	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Na+HCOOH"	68.994688
"159091"	1319.52364	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+2K-H"	76.91904
"599749"	1940.82594	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+2K-H"	76.91904
"1093011"	698.22134	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2K-H"	76.91904
"143267"	660.265458	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"2M+2K"	77.926316
"588296"	970.916608	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"3M+2K"	77.926316
"1077185"	349.614308	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2K"	77.926316
"1107116"	700.235892	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2K+H"	78.933592
"1346784"	700.323507	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+DMSO+H"	79.021207
"1019687"	704.362676	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2ACN+H"	83.060376
"1533440"	705.356308	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+IsoProp+Na+H"	84.054008
"998795"	352.684976	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+2ACN+2H"	84.067652
"1588924"	706.270928	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+K+HCOOH"	84.968628
"1417865"	736.302438	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+H+CF3COOH"	115.000138
"1155809"	373.198251	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+3ACN+2H"	125.094202
"1706453"	753.328985	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+NH4+CF3COOH"	132.026685
"1644291"	758.28438	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+Na+CF3COOH"	136.98208
"1583224"	774.25832	"C02334"	"Z-Arg-Arg-NHMec;Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide"	"C30H39N9O6"	"621.3023"	"M+K+CF3COOH"	152.95602
"803749"	838.1523	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M"	0
"980562"	819.13391	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-H2O-H"	-19.01839
"73178"	557.760924	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M-3H"	-3.021828
"514925"	837.145024	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M-3H"	-3.021828
"889445"	278.376824	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-3H"	-3.021828
"4743"	837.145024	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M-2H"	-2.014552
"441022"	1256.221174	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M-2H"	-2.014552
"817770"	418.068874	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-2H"	-2.014552
"79295"	1675.297324	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M-H"	-1.007276
"518861"	2513.449624	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M-H"	-1.007276
"897270"	837.145024	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-H"	-1.007276
"47229"	1692.323871	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M-2H+NH4"	16.019271
"487281"	2530.476171	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M-2H+NH4"	16.019271
"874855"	854.171571	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-2H+NH4"	16.019271
"34734"	1697.279266	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M-2H+Na"	20.974666
"471697"	2535.431566	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M-2H+Na"	20.974666
"848770"	859.126966	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-2H+Na"	20.974666
"1618954"	859.126966	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Na-2H"	20.974666
"95241"	855.133363	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M-H+Cl"	33.962126
"535043"	1274.209513	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M-H+Cl"	33.962126
"930141"	436.057213	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-H+Cl"	33.962126
"268210"	1711.274002	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+Cl"	34.969402
"662579"	2549.426302	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+Cl"	34.969402
"1273766"	873.121702	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Cl"	34.969402
"18267"	1713.253206	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M-2H+K"	36.948606
"458921"	2551.405506	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M-2H+K"	36.948606
"834900"	875.100906	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-2H+K"	36.948606
"1556197"	875.100906	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+K-2H"	36.948606
"942783"	883.150494	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-H+HCOOH"	44.998194
"361563"	1721.302801	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+HCOOH-H"	44.998201
"345810"	1735.318451	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+Hac-H"	59.013851
"1494654"	897.166151	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Hac-H"	59.013851
"958705"	905.132451	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-H+NaCOOH"	66.980151
"120950"	873.121702	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+2Cl"	69.938804
"555043"	1292.197852	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+2Cl"	69.938804
"1024570"	454.045552	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2Cl"	69.938804
"1244146"	917.071185	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Br"	78.918885
"1306231"	919.127172	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Cl+HCOOH"	80.974872
"1328832"	941.109129	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Cl+NaCOOH"	102.956829
"914782"	951.137886	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M-H+CF3COOH"	112.985586
"1290763"	987.114564	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Cl+CF3COOH"	148.962264
"1370383"	803.139624	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H-2H2O"	-35.012676
"1384964"	821.1496	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H-H2O"	-17.0027
"286839"	1677.311876	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+H"	1.007276
"682176"	2515.464176	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+H"	1.007276
"1355244"	839.159576	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H"	1.007276
"133237"	839.159576	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+2H"	2.014552
"572069"	1258.235726	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+2H"	2.014552
"1044148"	420.083426	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2H"	2.014552
"209861"	559.775476	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+3H"	3.021828
"646144"	839.159576	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+3H"	3.021828
"1167551"	280.391376	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+3H"	3.021828
"429731"	1694.338423	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+NH4"	18.033823
"795101"	2532.490723	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+NH4"	18.033823
"1682071"	856.186123	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+NH4"	18.033823
"330713"	847.6728495	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+H+NH4"	19.041099
"727763"	1266.7489995	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+H+NH4"	19.041099
"1485957"	428.5966995	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H+NH4"	19.041099
"400277"	1699.293818	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+Na"	22.989218
"764552"	2537.446118	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+Na"	22.989218
"1615572"	861.141518	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Na"	22.989218
"325611"	850.150547	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+H+Na"	23.996494
"718396"	1269.226697	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+H+Na"	23.996494
"1471127"	431.074397	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H+Na"	23.996494
"1061093"	287.71869	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2H+Na"	25.00377
"1269330"	871.185786	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+CH3OH+H"	33.033486
"390083"	1715.267758	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+K"	38.963158
"752905"	2553.420058	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+K"	38.963158
"1544385"	877.115458	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+K"	38.963158
"303748"	858.137517	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+H+K"	39.970434
"696168"	1277.213667	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+H+K"	39.970434
"1447799"	439.061367	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H+K"	39.970434
"239671"	1718.338426	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+ACN+H"	42.033826
"1213109"	880.186126	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+ACN+H"	42.033826
"1198449"	440.596701	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+ACN+2H"	43.041102
"193144"	1721.27576	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+2Na-H"	44.97116
"639273"	2559.42806	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+2Na-H"	44.97116
"1139863"	883.12346	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2Na-H"	44.97116
"183520"	861.141518	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+2Na"	45.978436
"622713"	1280.217668	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+2Na"	45.978436
"1126588"	442.065368	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2Na"	45.978436
"1403186"	295.046004	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H+2Na"	46.985712
"1435303"	885.165046	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H+HCOOH"	47.012746
"226089"	866.17454	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+3H2O+2H"	56.04448
"1514151"	899.21709	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+IsoProp+H"	61.06479
"411650"	869.128488	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+Na+K"	61.952376
"774833"	1288.204638	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+Na+K"	61.952376
"1668976"	450.052338	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Na+K"	61.952376
"256591"	1740.320368	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+ACN+Na"	64.015768
"1230393"	902.168068	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+ACN+Na"	64.015768
"1718187"	902.191593	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+NH4+HCOOH"	64.039293
"1184636"	302.373318	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+3Na"	68.967654
"1653070"	907.146988	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Na+HCOOH"	68.994688
"159569"	1753.22364	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+2K-H"	76.91904
"603139"	2591.37594	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+2K-H"	76.91904
"1086191"	915.07134	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2K-H"	76.91904
"148843"	877.115458	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"2M+2K"	77.926316
"586219"	1296.191608	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"3M+2K"	77.926316
"1076199"	458.039308	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2K"	77.926316
"1105039"	917.085892	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2K+H"	78.933592
"1340334"	917.173507	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+DMSO+H"	79.021207
"1012143"	921.212676	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2ACN+H"	83.060376
"1530269"	922.206308	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+IsoProp+Na+H"	84.054008
"993435"	461.109976	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+2ACN+2H"	84.067652
"1589033"	923.120928	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+K+HCOOH"	84.968628
"1416881"	953.152438	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+H+CF3COOH"	115.000138
"1154825"	481.623251	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+3ACN+2H"	125.094202
"1707656"	970.178985	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+NH4+CF3COOH"	132.026685
"1644401"	975.13438	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+Na+CF3COOH"	136.98208
"1583334"	991.10832	"C02335"	"beta-Alanyl-CoA"	"C24H41N8O17P3S"	"838.1523"	"M+K+CF3COOH"	152.95602
"812607"	180.0634	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M"	0
"981766"	161.04501	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"74383"	119.034990666667	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"515035"	179.056124	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"889555"	59.0138573333333	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"4853"	179.056124	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"443319"	269.087824	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"818934"	89.024424	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"79649"	359.119524	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"520674"	539.182924	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"897742"	179.056124	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"48846"	376.146071	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"487593"	556.209471	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"869131"	196.082671	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"34844"	381.101466	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"471766"	561.164866	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"850138"	201.038066	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1619305"	201.038066	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"98267"	197.044463	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"534708"	287.076163	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"932802"	107.012763	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"268443"	395.096202	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"664145"	575.159602	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1277277"	215.032802	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"17039"	397.075406	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"460852"	577.138806	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"835738"	217.012006	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1558132"	217.012006	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"943216"	225.061594	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"361607"	405.125001	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"346169"	419.140651	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1492960"	239.077251	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"960480"	247.043551	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"110479"	215.032802	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"555151"	305.064502	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1025044"	125.001102	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1245714"	258.982285	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1308890"	261.038272	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1324931"	283.020229	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"914527"	293.048986	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1290144"	329.025664	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1370856"	145.050724	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1385073"	163.0607	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"287314"	361.134076	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"679371"	541.197476	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1355355"	181.070676	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"129337"	181.070676	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"571086"	271.102376	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1046082"	91.038976	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"212161"	121.049542666667	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"656826"	181.070676	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1166567"	61.0284093333333	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"434943"	378.160623	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"796304"	558.224023	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1691541"	198.097223	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"337632"	189.5839495	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"726774"	279.6156495	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1480595"	99.5522495	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"394540"	383.116018	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"763568"	563.179418	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1614949"	203.052618	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"326083"	192.061647	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"719597"	282.093347	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1473789"	102.029947	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1064847"	68.3557233333333	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1269439"	213.096886	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"388006"	399.089958	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"750462"	579.153358	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1543402"	219.026558	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"304951"	200.048617	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"696278"	290.080317	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1447909"	110.016917	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"237959"	402.160626	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1211762"	222.097226	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1198559"	111.552251	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"192526"	405.09796	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"630999"	585.16136	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1138880"	225.03456	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"185089"	203.052618	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"621730"	293.084318	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1125240"	113.020918	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1406575"	75.6830373333333	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1436870"	227.076146	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"227292"	208.08564	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1513167"	241.12819	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"413947"	211.039588	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"776036"	301.071288	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1671274"	121.007888	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"257797"	424.142568	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1228682"	244.079168	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1719391"	244.102693	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1185839"	83.0103513333333	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656826"	249.058088	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"158948"	437.04584	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"603249"	617.10924	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1085939"	256.98244	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"151141"	219.026558	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"585236"	309.058258	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1074122"	128.994858	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1109522"	258.996992	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1342633"	259.084607	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1015533"	263.123776	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1529283"	264.117408	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"997921"	132.065526	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1590235"	265.032028	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1421366"	295.063538	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1152749"	152.578801	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1706673"	312.090085	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1644511"	317.04548	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1583444"	333.01942	"C02336"	"beta-D-Fructose;beta-Fruit sugar;beta-D-arabino-Hexulose;beta-Levulose;Fructose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"813811"	164.0685	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M"	0
"976774"	145.05011	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"70119"	108.371724	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"509679"	163.061224	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"886387"	53.682224	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"4963"	163.061224	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"446710"	245.095474	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"820138"	81.026974	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"79152"	327.129724	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"519811"	491.198224	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"900775"	163.061224	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"49079"	344.156271	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"487300"	508.224771	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"865224"	180.087771	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"37142"	349.111666	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"472808"	513.180166	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"849761"	185.043166	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1619412"	185.043166	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"94970"	181.049563	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"536845"	263.083813	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"929632"	99.015313	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"270376"	363.106402	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"661703"	527.174902	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1277752"	199.037902	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"17758"	365.085606	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"459140"	529.154106	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"834754"	201.017106	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1556539"	201.017106	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"943205"	209.066694	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"362153"	373.135201	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"347128"	387.150851	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1495965"	223.082351	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"961684"	231.048651	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"110831"	199.037902	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"551617"	281.072152	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1025885"	117.003652	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1245462"	242.987385	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1308640"	245.043372	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1322853"	267.025329	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"912821"	277.054086	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1290624"	313.030764	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1368784"	129.055824	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1384095"	147.0658	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"284144"	329.144276	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"680211"	493.212776	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1356560"	165.075776	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"130543"	165.075776	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"572290"	247.110026	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1042183"	83.041526	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"211178"	110.386276	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"659124"	165.075776	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1169959"	55.696776	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"431044"	346.170823	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"794229"	510.239323	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1688369"	182.102323	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"336651"	173.5890495	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"727980"	255.6232995	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1477789"	91.5547995	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"401585"	351.126218	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"764775"	515.194718	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1614701"	187.057718	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"327286"	176.066747	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"718621"	258.100997	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1472805"	94.032497	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1066049"	63.02409	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1269545"	197.101986	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"391403"	367.100158	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"751300"	531.168658	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1546791"	203.031658	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"302871"	184.053717	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"694195"	266.087967	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1446554"	102.019467	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"236128"	370.170826	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1210780"	206.102326	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1196849"	103.554801	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"195923"	373.10816	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"641317"	537.17666	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1141182"	209.03966	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"183378"	187.057718	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"624034"	269.091968	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1130091"	105.023468	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1402678"	70.351404	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1433703"	211.081246	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"225217"	192.09074	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1513280"	225.13329	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"415154"	195.044688	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"773961"	277.078938	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1671387"	113.010438	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"256082"	392.152768	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1230616"	228.084268	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1718408"	228.107793	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1185949"	77.678718	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1658032"	233.063188	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"164894"	405.05604	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"606641"	569.12454	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1095527"	240.98754	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"155625"	203.031658	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"589718"	285.065908	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1080799"	120.997408	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1108542"	243.002092	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1344924"	243.089707	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1015645"	247.128876	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1530490"	248.122508	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"996938"	124.068076	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1589615"	249.037128	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1423663"	279.068638	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1151764"	144.581351	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1707877"	296.095185	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1648632"	301.05058	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1583554"	317.02452	"C02338"	"beta-L-Rhamnose;beta-6-Deoxy-L-mannose;beta-L-Mannomethylose;beta-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"812829"	174.0164	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M"	0
"989243"	154.99801	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H2O-H"	-19.01839
"73510"	115.003657333333	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-3H"	-3.021828
"510884"	173.009124	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-3H"	-3.021828
"890871"	56.9981906666667	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-3H"	-3.021828
"7260"	173.009124	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H"	-2.014552
"443544"	260.017324	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H"	-2.014552
"819156"	86.000924	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H"	-2.014552
"84616"	347.025524	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-H"	-1.007276
"524177"	521.041924	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-H"	-1.007276
"901981"	173.009124	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H"	-1.007276
"50891"	364.052071	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H+NH4"	16.019271
"492641"	538.068471	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H+NH4"	16.019271
"869351"	190.035671	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H+NH4"	16.019271
"46982"	369.007466	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H+Na"	20.974666
"484467"	543.023866	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H+Na"	20.974666
"860081"	194.991066	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H+Na"	20.974666
"1619770"	194.991066	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na-2H"	20.974666
"100676"	190.997463	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-H+Cl"	33.962126
"545706"	278.005663	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-H+Cl"	33.962126
"933752"	103.989263	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+Cl"	33.962126
"273404"	383.002202	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Cl"	34.969402
"668011"	557.018602	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+Cl"	34.969402
"1278593"	208.985802	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl"	34.969402
"20786"	384.981406	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M-2H+K"	36.948606
"458523"	558.997806	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M-2H+K"	36.948606
"837417"	210.965006	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-2H+K"	36.948606
"1557623"	210.965006	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K-2H"	36.948606
"948428"	219.014594	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+HCOOH"	44.998194
"362997"	393.031001	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+HCOOH-H"	44.998201
"348340"	407.046651	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Hac-H"	59.013851
"1498268"	233.030251	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Hac-H"	59.013851
"964714"	240.996551	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+NaCOOH"	66.980151
"121644"	208.985802	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2Cl"	69.938804
"553188"	295.994002	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2Cl"	69.938804
"1024538"	121.977602	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2Cl"	69.938804
"1247032"	252.935285	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Br"	78.918885
"1310575"	254.991272	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl+HCOOH"	80.974872
"1324789"	276.973229	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl+NaCOOH"	102.956829
"914026"	287.001986	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M-H+CF3COOH"	112.985586
"1289641"	322.978664	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Cl+CF3COOH"	148.962264
"1371812"	139.003724	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H-2H2O"	-35.012676
"1387123"	157.0137	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H-H2O"	-17.0027
"287901"	349.040076	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H"	1.007276
"677406"	523.056476	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H"	1.007276
"1353391"	175.023676	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H"	1.007276
"128102"	175.023676	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2H"	2.014552
"576776"	262.031876	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2H"	2.014552
"1046669"	88.015476	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2H"	2.014552
"216393"	117.018209333333	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+3H"	3.021828
"656682"	175.023676	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+3H"	3.021828
"1173351"	59.0127426666667	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+3H"	3.021828
"432249"	366.066623	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+NH4"	18.033823
"792151"	540.083023	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+NH4"	18.033823
"1690669"	192.050223	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+NH4"	18.033823
"335671"	183.5369495	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H+NH4"	19.041099
"722912"	270.5451495	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H+NH4"	19.041099
"1477775"	96.5287495	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+NH4"	19.041099
"401701"	371.022018	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Na"	22.989218
"762695"	545.038418	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+Na"	22.989218
"1616998"	197.005618	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na"	22.989218
"328494"	186.014647	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H+Na"	23.996494
"721772"	273.022847	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H+Na"	23.996494
"1476319"	99.006447	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+Na"	23.996494
"1067251"	66.3400566666667	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2H+Na"	25.00377
"1271480"	207.049886	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+CH3OH+H"	33.033486
"391878"	386.995958	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+K"	38.963158
"753233"	561.012358	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+K"	38.963158
"1550183"	212.979558	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K"	38.963158
"306264"	194.001617	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+H+K"	39.970434
"696496"	281.009817	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+H+K"	39.970434
"1449220"	106.993417	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+K"	39.970434
"236729"	390.066626	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+ACN+H"	42.033826
"1210893"	216.050226	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+ACN+H"	42.033826
"1194527"	108.528751	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+ACN+2H"	43.041102
"196033"	393.00396	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2Na-H"	44.97116
"638875"	567.02036	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2Na-H"	44.97116
"1140201"	218.98756	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2Na-H"	44.97116
"186653"	197.005618	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2Na"	45.978436
"625603"	284.013818	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2Na"	45.978436
"1125463"	109.997418	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2Na"	45.978436
"1407896"	73.6673706666667	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+2Na"	46.985712
"1436731"	221.029146	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+HCOOH"	47.012746
"227519"	202.03864	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+3H2O+2H"	56.04448
"1519955"	235.08119	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+IsoProp+H"	61.06479
"415267"	204.992588	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+Na+K"	61.952376
"776261"	292.000788	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+Na+K"	61.952376
"1672592"	117.984388	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na+K"	61.952376
"256923"	412.048568	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+ACN+Na"	64.015768
"1234007"	238.032168	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+ACN+Na"	64.015768
"1719612"	238.055693	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+NH4+HCOOH"	64.039293
"1183873"	80.9946846666667	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+3Na"	68.967654
"1660329"	243.011088	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na+HCOOH"	68.994688
"166097"	424.95184	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2K-H"	76.91904
"610031"	598.96824	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2K-H"	76.91904
"1094545"	250.93544	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2K-H"	76.91904
"156345"	212.979558	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"2M+2K"	77.926316
"585459"	299.987758	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"3M+2K"	77.926316
"1074346"	125.971358	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2K"	77.926316
"1112297"	252.949992	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2K+H"	78.933592
"1343946"	253.037607	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+DMSO+H"	79.021207
"1014661"	257.076776	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2ACN+H"	83.060376
"1534972"	258.070408	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+IsoProp+Na+H"	84.054008
"1000331"	129.042026	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+2ACN+2H"	84.067652
"1597019"	258.985028	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K+HCOOH"	84.968628
"1422678"	289.016538	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+H+CF3COOH"	115.000138
"1160622"	149.555301	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+3ACN+2H"	125.094202
"1707987"	306.043085	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+NH4+CF3COOH"	132.026685
"1642543"	310.99848	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+Na+CF3COOH"	136.98208
"1583666"	326.97242	"C02341"	"trans-Aconitate;trans-Aconitic acid"	"C6H6O6"	"174.0164"	"M+K+CF3COOH"	152.95602
"804192"	151.0997	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M"	0
"977724"	132.08131	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"70339"	99.7258573333333	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"510993"	150.092424	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"881144"	49.3592906666667	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"812"	150.092424	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"443652"	225.642274	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"817240"	74.542574	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"85824"	301.192124	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"530489"	452.291824	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"900999"	150.092424	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"52096"	318.218671	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"502753"	469.318371	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"877726"	167.118971	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"43924"	323.174066	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"485916"	474.273766	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"853629"	172.074366	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1625351"	172.074366	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"100787"	168.080763	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"544724"	243.630613	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"936051"	92.530913	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"275701"	337.168802	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"667029"	488.268502	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1277247"	186.069102	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"25271"	339.148006	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"468110"	490.247706	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"839351"	188.048306	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1561749"	188.048306	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"947444"	196.097894	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"364568"	347.197601	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"351732"	361.213251	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1500565"	210.113551	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"967015"	218.079851	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"118111"	186.069102	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"555485"	261.618952	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1029751"	110.519252	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1248236"	230.018585	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1311778"	232.074572	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1323807"	254.056529	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"913772"	264.085286	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1289751"	300.061964	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1369736"	116.087024	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1388326"	134.097	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"289105"	303.206676	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"680432"	454.306376	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1354594"	152.106976	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"138420"	152.106976	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"575792"	227.656826	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1046779"	76.557126	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"216504"	101.740409333333	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"657158"	152.106976	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1174191"	51.3738426666667	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"433454"	320.233223	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"792261"	471.332923	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1690780"	169.133523	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"330388"	160.6202495	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"723171"	236.1700995	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1487507"	85.0703995	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"402908"	325.188618	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"769373"	476.288318	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1617835"	174.088918	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"325317"	163.097947	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"719935"	238.647797	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1476304"	87.548097	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1066996"	58.7011566666667	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1270860"	184.133186	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"390528"	341.162558	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"753344"	492.262258	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1550293"	190.062858	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"306374"	171.084917	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"695513"	246.634767	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1446292"	95.535067	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"237933"	344.233226	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1210020"	193.133526	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1195617"	97.070401	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"197238"	347.17056	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"638990"	498.27026	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1143957"	196.07086	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"187249"	174.088918	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"623892"	249.638768	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1128857"	98.539068	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1410922"	66.0284706666667	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1436841"	198.112446	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"224349"	179.12194	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1518972"	212.16449	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"416471"	182.075888	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"776371"	257.625738	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1670514"	106.526038	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"257029"	366.215168	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1230835"	215.115468	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1722637"	215.138993	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1182889"	73.3557846666667	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1652784"	220.094388	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"165114"	379.11844	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"607955"	530.21814	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1093562"	228.01874	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"151480"	190.062858	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"589947"	265.612708	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1079924"	114.513008	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1105480"	230.033292	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1340771"	230.120907	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1016958"	234.160076	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1535082"	235.153708	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"998254"	117.583676	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1594940"	236.068328	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1423882"	266.099838	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1151983"	138.096951	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1699349"	283.126385	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1642660"	288.08178	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1583777"	304.05572	"C02343"	"()-Norephedrine;d-Norephedrine;Norephedrine"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"807582"	154.1358	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M"	0
"977834"	135.11741	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"66074"	101.749924	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"514383"	153.128524	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"882347"	50.371324	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"2015"	153.128524	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"440845"	230.196424	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"817792"	76.060624	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"82653"	307.264324	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"530964"	461.400124	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"901109"	153.128524	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"53299"	324.290871	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"501980"	478.426671	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"878079"	170.155071	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"42941"	329.246266	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"483594"	483.382066	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"854833"	175.110466	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1625459"	175.110466	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"98706"	171.116863	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"544468"	248.184763	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"931059"	94.048963	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"274719"	343.241002	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"666046"	497.376802	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1281731"	189.105202	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"27568"	345.220206	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"469314"	499.356006	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"840555"	191.084406	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1559673"	191.084406	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"943908"	199.133994	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"364678"	353.269801	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"348561"	367.285451	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1495207"	213.149651	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"959585"	221.115951	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"118221"	189.105202	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"557782"	266.173102	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1032048"	112.037302	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1249440"	233.054685	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1315169"	235.110672	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1325011"	257.092629	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"917162"	267.121386	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1289861"	303.098064	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1372033"	119.123124	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1388436"	137.1331	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"292495"	309.278876	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"683822"	463.414676	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1359078"	155.143076	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"137437"	155.143076	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"576632"	232.210976	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1048712"	78.075176	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"215885"	103.764476	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"655445"	155.143076	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1172478"	52.385876	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"435750"	326.305423	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"797838"	480.441223	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1690890"	172.169623	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"330663"	163.6563495	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"723203"	240.7242495	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1487617"	86.5884495	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"404111"	331.260818	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"769361"	485.396618	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616488"	177.125018	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"323970"	166.134047	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"719681"	243.201947	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1476414"	89.066147	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1067470"	59.71319	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1269877"	187.169286	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"389547"	347.234758	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"749081"	501.370558	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1550402"	193.098958	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"303204"	174.121017	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"695622"	251.188917	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1447253"	97.053117	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"238043"	350.305426	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1210990"	196.169626	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1195727"	98.588451	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"198077"	353.24276	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"641532"	507.37856	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1143217"	199.10696	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"187845"	177.125018	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"624002"	254.192918	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1129575"	100.057118	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1412856"	67.040504	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1440231"	201.148546	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"228832"	182.15804	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1517988"	215.20059	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"418766"	185.111988	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"778668"	262.179888	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1670624"	108.044088	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"257140"	372.287368	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1233132"	218.151568	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1726029"	218.175093	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1185185"	74.367818	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1653986"	223.130488	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"161942"	385.19064	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"610251"	539.32644	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1096951"	231.05484	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"151226"	193.098958	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"591151"	270.166858	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1078941"	116.031058	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1109964"	233.069392	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1344161"	233.157007	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1015975"	237.196176	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1535192"	238.189808	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"997271"	119.101726	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1596143"	239.104428	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1425086"	269.135938	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1154279"	139.615001	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1700552"	286.162485	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1642770"	291.11788	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1583887"	307.09182	"C02344"	"(-)-endo-Fenchol;(-)-alpha-Fenchyl alcohol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"804412"	226.0994	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M"	0
"977944"	207.08101	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-H2O-H"	-19.01839
"68370"	149.725657333333	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M-3H"	-3.021828
"511213"	225.092124	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M-3H"	-3.021828
"880146"	74.3591906666667	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-3H"	-3.021828
"1031"	225.092124	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M-2H"	-2.014552
"440833"	338.141824	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M-2H"	-2.014552
"817182"	112.042424	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-2H"	-2.014552
"82763"	451.191524	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M-H"	-1.007276
"528885"	677.290924	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M-H"	-1.007276
"901219"	225.092124	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-H"	-1.007276
"53409"	468.218071	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M-2H+NH4"	16.019271
"501603"	694.317471	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M-2H+NH4"	16.019271
"879045"	242.118671	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-2H+NH4"	16.019271
"43051"	473.173466	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M-2H+Na"	20.974666
"482611"	699.272866	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M-2H+Na"	20.974666
"852757"	247.074066	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-2H+Na"	20.974666
"1623383"	247.074066	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Na-2H"	20.974666
"98816"	243.080463	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M-H+Cl"	33.962126
"544942"	356.130163	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M-H+Cl"	33.962126
"932262"	130.030763	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-H+Cl"	33.962126
"274828"	487.168202	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+Cl"	34.969402
"666154"	713.267602	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+Cl"	34.969402
"1278557"	261.068802	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Cl"	34.969402
"24396"	489.147406	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M-2H+K"	36.948606
"458851"	715.246806	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M-2H+K"	36.948606
"841758"	263.048006	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-2H+K"	36.948606
"1557224"	263.048006	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+K-2H"	36.948606
"943647"	271.097594	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-H+HCOOH"	44.998194
"362225"	497.197001	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+HCOOH-H"	44.998201
"346962"	511.212651	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+Hac-H"	59.013851
"1495311"	285.113251	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Hac-H"	59.013851
"961032"	293.079551	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-H+NaCOOH"	66.980151
"116144"	261.068802	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+2Cl"	69.938804
"557891"	374.118502	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+2Cl"	69.938804
"1031065"	148.019102	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2Cl"	69.938804
"1252830"	305.018285	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Br"	78.918885
"1315279"	307.074272	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Cl+HCOOH"	80.974872
"1327308"	329.056229	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Cl+NaCOOH"	102.956829
"915086"	339.084986	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M-H+CF3COOH"	112.985586
"1290335"	375.061664	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Cl+CF3COOH"	148.962264
"1372143"	191.086724	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H-2H2O"	-35.012676
"1388546"	209.0967	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H-H2O"	-17.0027
"292605"	453.206076	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+H"	1.007276
"686119"	679.305476	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+H"	1.007276
"1361375"	227.106676	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H"	1.007276
"140463"	227.106676	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+2H"	2.014552
"576012"	340.156376	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+2H"	2.014552
"1047729"	114.056976	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2H"	2.014552
"216724"	151.740209333333	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+3H"	3.021828
"653369"	227.106676	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+3H"	3.021828
"1174775"	76.3737426666667	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+3H"	3.021828
"436225"	470.232623	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+NH4"	18.033823
"794668"	696.332023	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+NH4"	18.033823
"1693187"	244.133223	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+NH4"	18.033823
"330207"	235.6199495	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+H+NH4"	19.041099
"723921"	348.6696495	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+H+NH4"	19.041099
"1485541"	122.5702495	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H+NH4"	19.041099
"404221"	475.188018	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+Na"	22.989218
"765585"	701.287418	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+Na"	22.989218
"1612226"	249.088618	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Na"	22.989218
"322258"	238.097647	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+H+Na"	23.996494
"717967"	351.147347	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+H+Na"	23.996494
"1469600"	125.047947	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H+Na"	23.996494
"1062478"	83.7010566666667	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2H+Na"	25.00377
"1265609"	259.132886	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+CH3OH+H"	33.033486
"383089"	491.161958	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+K"	38.963158
"740438"	717.261358	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+K"	38.963158
"1542124"	265.062558	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+K"	38.963158
"300755"	246.084617	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+H+K"	39.970434
"692445"	359.134317	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+H+K"	39.970434
"1446144"	133.034917	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H+K"	39.970434
"236684"	494.232626	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+ACN+H"	42.033826
"1210849"	268.133226	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+ACN+H"	42.033826
"1196201"	134.570251	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+ACN+2H"	43.041102
"197458"	497.16996	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+2Na-H"	44.97116
"641033"	723.26936	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+2Na-H"	44.97116
"1144906"	271.07056	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2Na-H"	44.97116
"183456"	249.088618	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+2Na"	45.978436
"621196"	362.138318	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+2Na"	45.978436
"1121422"	136.038918	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2Na"	45.978436
"1406039"	91.0283706666667	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H+2Na"	46.985712
"1435966"	273.112146	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H+HCOOH"	47.012746
"228577"	254.12164	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+3H2O+2H"	56.04448
"1517004"	287.16419	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+IsoProp+H"	61.06479
"415596"	257.075588	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+Na+K"	61.952376
"774402"	370.125288	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+Na+K"	61.952376
"1667452"	144.025888	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Na+K"	61.952376
"256157"	516.214568	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+ACN+Na"	64.015768
"1231055"	290.115168	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+ACN+Na"	64.015768
"1723950"	290.138693	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+NH4+HCOOH"	64.039293
"1185295"	98.3556846666667	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+3Na"	68.967654
"1653003"	295.094088	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Na+HCOOH"	68.994688
"164239"	529.11784	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+2K-H"	76.91904
"607081"	755.21724	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+2K-H"	76.91904
"1094875"	303.01844	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2K-H"	76.91904
"152429"	265.062558	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"2M+2K"	77.926316
"585790"	378.112258	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"3M+2K"	77.926316
"1074676"	152.012858	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2K"	77.926316
"1108981"	305.032992	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2K+H"	78.933592
"1343178"	305.120607	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+DMSO+H"	79.021207
"1015721"	309.159776	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2ACN+H"	83.060376
"1534209"	310.153408	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+IsoProp+Na+H"	84.054008
"999566"	155.083526	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+2ACN+2H"	84.067652
"1594067"	311.068028	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+K+HCOOH"	84.968628
"1418632"	341.099538	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+H+CF3COOH"	115.000138
"1153295"	175.596801	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+3ACN+2H"	125.094202
"1701755"	358.126085	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+NH4+CF3COOH"	132.026685
"1646160"	363.08148	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+Na+CF3COOH"	136.98208
"1583997"	379.05542	"C02345"	"(2S)-Flavan-4-ol"	"C15H14O2"	"226.0994"	"M+K+CF3COOH"	152.95602
"804523"	158.044	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M"	0
"978054"	139.02561	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-H2O-H"	-19.01839
"64108"	104.355390666667	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M-3H"	-3.021828
"511329"	157.036724	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M-3H"	-3.021828
"884756"	51.6740573333333	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-3H"	-3.021828
"649"	157.036724	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H"	-2.014552
"441793"	236.058724	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H"	-2.014552
"830661"	78.014724	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H"	-2.014552
"91989"	315.080724	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M-H"	-1.007276
"526809"	473.124724	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M-H"	-1.007276
"901331"	157.036724	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-H"	-1.007276
"61792"	332.107271	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H+NH4"	16.019271
"502322"	490.151271	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H+NH4"	16.019271
"876355"	174.063271	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H+NH4"	16.019271
"43162"	337.062666	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H+Na"	20.974666
"481627"	495.106666	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H+Na"	20.974666
"856148"	179.018666	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H+Na"	20.974666
"1624586"	179.018666	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na-2H"	20.974666
"97110"	175.025063	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M-H+Cl"	33.962126
"542865"	254.047063	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M-H+Cl"	33.962126
"929091"	96.003063	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+Cl"	33.962126
"269469"	351.057402	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Cl"	34.969402
"662986"	509.101402	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+Cl"	34.969402
"1278671"	193.013402	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl"	34.969402
"24505"	353.036606	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H+K"	36.948606
"462973"	511.080606	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H+K"	36.948606
"834215"	194.992606	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H+K"	36.948606
"1557699"	194.992606	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+K-2H"	36.948606
"944490"	203.042194	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+HCOOH"	44.998194
"363075"	361.086201	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+HCOOH-H"	44.998201
"347683"	375.101851	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Hac-H"	59.013851
"1497616"	217.057851	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Hac-H"	59.013851
"970630"	225.024151	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+NaCOOH"	66.980151
"120629"	193.013402	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2Cl"	69.938804
"555815"	272.035402	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2Cl"	69.938804
"1027894"	113.991402	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2Cl"	69.938804
"1246380"	236.962885	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Br"	78.918885
"1306641"	239.018872	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl+HCOOH"	80.974872
"1320857"	261.000829	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl+NaCOOH"	102.956829
"919571"	271.029586	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+CF3COOH"	112.985586
"1294093"	307.006264	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl+CF3COOH"	148.962264
"1371160"	123.031324	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H-2H2O"	-35.012676
"1383189"	141.0413	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H-H2O"	-17.0027
"289435"	317.095276	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H"	1.007276
"679671"	475.139276	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H"	1.007276
"1363676"	159.051276	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H"	1.007276
"138751"	159.051276	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2H"	2.014552
"577217"	238.073276	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2H"	2.014552
"1043831"	80.029276	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2H"	2.014552
"212827"	106.369942666667	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+3H"	3.021828
"651292"	159.051276	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+3H"	3.021828
"1171605"	53.6886093333333	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+3H"	3.021828
"427224"	334.121823	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+NH4"	18.033823
"790407"	492.165823	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+NH4"	18.033823
"1681992"	176.077823	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+NH4"	18.033823
"330764"	167.5645495	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H+NH4"	19.041099
"734750"	246.5865495	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H+NH4"	19.041099
"1488939"	88.5425495	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+NH4"	19.041099
"403246"	339.077218	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Na"	22.989218
"765334"	497.121218	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+Na"	22.989218
"1611243"	181.033218	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na"	22.989218
"320189"	170.042247	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H+Na"	23.996494
"718077"	249.064247	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H+Na"	23.996494
"1473353"	91.020247	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+Na"	23.996494
"1062588"	61.0159233333333	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2H+Na"	25.00377
"1264627"	191.077486	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+CH3OH+H"	33.033486
"381014"	355.051158	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+K"	38.963158
"742370"	513.095158	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+K"	38.963158
"1544060"	197.007158	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+K"	38.963158
"300867"	178.029217	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H+K"	39.970434
"692921"	257.051217	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H+K"	39.970434
"1447103"	99.007217	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+K"	39.970434
"237168"	358.121826	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+ACN+H"	42.033826
"1210840"	200.077826	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+ACN+H"	42.033826
"1203609"	100.542551	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+ACN+2H"	43.041102
"198668"	361.05916	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2Na-H"	44.97116
"637134"	519.10316	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2Na-H"	44.97116
"1141370"	203.01516	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2Na-H"	44.97116
"179560"	181.033218	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2Na"	45.978436
"618391"	260.055218	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2Na"	45.978436
"1128092"	102.011218	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2Na"	45.978436
"1405055"	68.3432373333333	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+2Na"	46.985712
"1437170"	205.056746	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+HCOOH"	47.012746
"225771"	186.06624	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+3H2O+2H"	56.04448
"1512740"	219.10879	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+IsoProp+H"	61.06479
"414612"	189.020188	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Na+K"	61.952376
"773419"	268.042188	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+Na+K"	61.952376
"1667561"	109.998188	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na+K"	61.952376
"255174"	380.103768	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+ACN+Na"	64.015768
"1230069"	222.059768	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+ACN+Na"	64.015768
"1713491"	222.083293	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+NH4+HCOOH"	64.039293
"1182128"	75.6705513333333	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+3Na"	68.967654
"1650558"	227.038688	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na+HCOOH"	68.994688
"162164"	393.00704	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2K-H"	76.91904
"605004"	551.05104	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2K-H"	76.91904
"1095719"	234.96304	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2K-H"	76.91904
"150718"	197.007158	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2K"	77.926316
"589182"	276.029158	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2K"	77.926316
"1075884"	117.985158	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2K"	77.926316
"1104715"	236.977592	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2K+H"	78.933592
"1345476"	237.065207	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+DMSO+H"	79.021207
"1011819"	241.104376	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2ACN+H"	83.060376
"1531043"	242.098008	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+IsoProp+Na+H"	84.054008
"996393"	121.055826	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+2ACN+2H"	84.067652
"1590896"	243.012628	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+K+HCOOH"	84.968628
"1422024"	273.044138	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+CF3COOH"	115.000138
"1159243"	141.569101	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+3ACN+2H"	125.094202
"1707343"	290.070685	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+NH4+CF3COOH"	132.026685
"1644083"	295.02608	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na+CF3COOH"	136.98208
"1584108"	311.00002	"C02348"	"(R)(-)-Allantoin;(R)-Allantoin"	"C4H6N4O3"	"158.044"	"M+K+CF3COOH"	152.95602
"804633"	158.044	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M"	0
"975005"	139.02561	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-H2O-H"	-19.01839
"63849"	104.355390666667	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M-3H"	-3.021828
"511439"	157.036724	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M-3H"	-3.021828
"883773"	51.6740573333333	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-3H"	-3.021828
"1003"	157.036724	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H"	-2.014552
"442996"	236.058724	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H"	-2.014552
"828097"	78.014724	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H"	-2.014552
"92707"	315.080724	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M-H"	-1.007276
"526919"	473.124724	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M-H"	-1.007276
"901441"	157.036724	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-H"	-1.007276
"62020"	332.107271	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H+NH4"	16.019271
"499758"	490.151271	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H+NH4"	16.019271
"875372"	174.063271	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H+NH4"	16.019271
"43272"	337.062666	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H+Na"	20.974666
"478457"	495.106666	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H+Na"	20.974666
"856258"	179.018666	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H+Na"	20.974666
"1624696"	179.018666	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na-2H"	20.974666
"97949"	175.025063	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M-H+Cl"	33.962126
"539695"	254.047063	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M-H+Cl"	33.962126
"928837"	96.003063	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+Cl"	33.962126
"268850"	351.057402	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Cl"	34.969402
"662731"	509.101402	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+Cl"	34.969402
"1276594"	193.013402	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl"	34.969402
"21336"	353.036606	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M-2H+K"	36.948606
"461990"	511.080606	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M-2H+K"	36.948606
"833964"	194.992606	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-2H+K"	36.948606
"1557445"	194.992606	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+K-2H"	36.948606
"943871"	203.042194	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+HCOOH"	44.998194
"362570"	361.086201	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+HCOOH-H"	44.998201
"348158"	375.101851	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Hac-H"	59.013851
"1497726"	217.057851	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Hac-H"	59.013851
"965272"	225.024151	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+NaCOOH"	66.980151
"119646"	193.013402	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2Cl"	69.938804
"558112"	272.035402	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2Cl"	69.938804
"1028004"	113.991402	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2Cl"	69.938804
"1250864"	236.962885	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Br"	78.918885
"1310032"	239.018872	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl+HCOOH"	80.974872
"1323155"	261.000829	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl+NaCOOH"	102.956829
"919681"	271.029586	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M-H+CF3COOH"	112.985586
"1295296"	307.006264	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Cl+CF3COOH"	148.962264
"1371270"	123.031324	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H-2H2O"	-35.012676
"1387673"	141.0413	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H-H2O"	-17.0027
"295012"	317.095276	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H"	1.007276
"683061"	475.139276	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H"	1.007276
"1360502"	159.051276	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H"	1.007276
"136674"	159.051276	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2H"	2.014552
"580243"	238.073276	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2H"	2.014552
"1043941"	80.029276	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2H"	2.014552
"210750"	106.369942666667	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+3H"	3.021828
"651403"	159.051276	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+3H"	3.021828
"1170622"	53.6886093333333	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+3H"	3.021828
"429886"	334.121823	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+NH4"	18.033823
"791610"	492.165823	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+NH4"	18.033823
"1681702"	176.077823	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+NH4"	18.033823
"330140"	167.5645495	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H+NH4"	19.041099
"734130"	246.5865495	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H+NH4"	19.041099
"1490141"	88.5425495	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+NH4"	19.041099
"403356"	339.077218	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Na"	22.989218
"767991"	497.121218	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+Na"	22.989218
"1615724"	181.033218	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na"	22.989218
"323579"	170.042247	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H+Na"	23.996494
"720011"	249.064247	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H+Na"	23.996494
"1474191"	91.020247	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+Na"	23.996494
"1061969"	61.0159233333333	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2H+Na"	25.00377
"1265830"	191.077486	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+CH3OH+H"	33.033486
"381124"	355.051158	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+K"	38.963158
"740171"	513.095158	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+K"	38.963158
"1543805"	197.007158	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+K"	38.963158
"299152"	178.029217	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+H+K"	39.970434
"693396"	257.051217	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+H+K"	39.970434
"1448674"	99.007217	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+K"	39.970434
"236178"	358.121826	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+ACN+H"	42.033826
"1210464"	200.077826	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+ACN+H"	42.033826
"1199347"	100.542551	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+ACN+2H"	43.041102
"198779"	361.05916	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2Na-H"	44.97116
"635058"	519.10316	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2Na-H"	44.97116
"1140751"	203.01516	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2Na-H"	44.97116
"179670"	181.033218	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2Na"	45.978436
"618137"	260.055218	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2Na"	45.978436
"1124922"	102.011218	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2Na"	45.978436
"1402249"	68.3432373333333	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+2Na"	46.985712
"1435458"	205.056746	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+HCOOH"	47.012746
"226975"	186.06624	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+3H2O+2H"	56.04448
"1517223"	219.10879	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+IsoProp+H"	61.06479
"418002"	189.020188	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+Na+K"	61.952376
"772437"	268.042188	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+Na+K"	61.952376
"1669859"	109.998188	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na+K"	61.952376
"258564"	380.103768	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+ACN+Na"	64.015768
"1233460"	222.059768	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+ACN+Na"	64.015768
"1714695"	222.083293	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+NH4+HCOOH"	64.039293
"1182239"	75.6705513333333	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+3Na"	68.967654
"1653223"	227.038688	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na+HCOOH"	68.994688
"162274"	393.00704	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2K-H"	76.91904
"607301"	551.05104	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2K-H"	76.91904
"1095100"	234.96304	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2K-H"	76.91904
"146454"	197.007158	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"2M+2K"	77.926316
"586010"	276.029158	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"3M+2K"	77.926316
"1075994"	117.985158	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2K"	77.926316
"1101787"	236.977592	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2K+H"	78.933592
"1343399"	237.065207	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+DMSO+H"	79.021207
"1008647"	241.104376	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2ACN+H"	83.060376
"1531152"	242.098008	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+IsoProp+Na+H"	84.054008
"994317"	121.055826	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+2ACN+2H"	84.067652
"1588819"	243.012628	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+K+HCOOH"	84.968628
"1423227"	273.044138	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+H+CF3COOH"	115.000138
"1158988"	141.569101	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+3ACN+2H"	125.094202
"1707453"	290.070685	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+NH4+CF3COOH"	132.026685
"1643100"	295.02608	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+Na+CF3COOH"	136.98208
"1584218"	311.00002	"C02350"	"(S)-Allantoin;(S)()-Allantoin"	"C4H6N4O3"	"158.044"	"M+K+CF3COOH"	152.95602
"813491"	108.0211	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M"	0
"980463"	89.00271	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H2O-H"	-19.01839
"71985"	71.0067906666667	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-3H"	-3.021828
"511549"	107.013824	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-3H"	-3.021828
"887162"	34.9997573333333	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-3H"	-3.021828
"1362"	107.013824	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H"	-2.014552
"443106"	161.024374	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H"	-2.014552
"832669"	53.003274	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H"	-2.014552
"92210"	215.034924	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-H"	-1.007276
"529216"	323.056024	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-H"	-1.007276
"904830"	107.013824	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H"	-1.007276
"62134"	232.061471	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H+NH4"	16.019271
"501814"	340.082571	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H+NH4"	16.019271
"879331"	124.040371	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H+NH4"	16.019271
"46339"	237.016866	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H+Na"	20.974666
"478566"	345.037966	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H+Na"	20.974666
"856368"	128.995766	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H+Na"	20.974666
"1620796"	128.995766	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na-2H"	20.974666
"104623"	125.002163	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-H+Cl"	33.962126
"539808"	179.012713	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-H+Cl"	33.962126
"930407"	70.991613	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+Cl"	33.962126
"268961"	251.011602	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Cl"	34.969402
"664298"	359.032702	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+Cl"	34.969402
"1274151"	142.990502	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl"	34.969402
"19258"	252.990806	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M-2H+K"	36.948606
"463194"	361.011906	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M-2H+K"	36.948606
"833709"	144.969706	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-2H+K"	36.948606
"1556104"	144.969706	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K-2H"	36.948606
"944717"	153.019294	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+HCOOH"	44.998194
"366213"	261.040401	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+HCOOH-H"	44.998201
"349001"	275.056051	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Hac-H"	59.013851
"1497836"	167.034951	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Hac-H"	59.013851
"959908"	175.001251	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+NaCOOH"	66.980151
"117566"	142.990502	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2Cl"	69.938804
"560409"	197.001052	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2Cl"	69.938804
"1031396"	88.979952	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2Cl"	69.938804
"1250974"	186.939985	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Br"	78.918885
"1312330"	188.995972	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl+HCOOH"	80.974872
"1324358"	210.977929	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl+NaCOOH"	102.956829
"925260"	221.006686	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M-H+CF3COOH"	112.985586
"1296499"	256.983364	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Cl+CF3COOH"	148.962264
"1373568"	73.008424	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H-2H2O"	-35.012676
"1392156"	91.0184	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H-H2O"	-17.0027
"297675"	217.049476	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H"	1.007276
"689369"	325.070576	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H"	1.007276
"1361707"	109.028376	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H"	1.007276
"140553"	109.028376	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2H"	2.014552
"580846"	163.038926	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2H"	2.014552
"1046240"	55.017826	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2H"	2.014552
"214142"	73.0213426666667	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+3H"	3.021828
"655889"	109.028376	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+3H"	3.021828
"1176199"	37.0143093333333	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+3H"	3.021828
"429633"	234.076023	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+NH4"	18.033823
"792815"	342.097123	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+NH4"	18.033823
"1684406"	126.054923	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+NH4"	18.033823
"332688"	117.5416495	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H+NH4"	19.041099
"734240"	171.5521995	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H+NH4"	19.041099
"1490251"	63.5310995	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+NH4"	19.041099
"402373"	239.031418	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Na"	22.989218
"767372"	347.052518	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+Na"	22.989218
"1616929"	131.010318	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na"	22.989218
"324783"	120.019347	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H+Na"	23.996494
"721336"	174.029897	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H+Na"	23.996494
"1476007"	66.008797	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+Na"	23.996494
"1065362"	44.3416233333333	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2H+Na"	25.00377
"1267765"	141.054586	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+CH3OH+H"	33.033486
"388525"	255.005358	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+K"	38.963158
"749518"	363.026458	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+K"	38.963158
"1545375"	146.984258	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K"	38.963158
"300726"	128.006317	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+H+K"	39.970434
"694239"	182.016867	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+H+K"	39.970434
"1448785"	73.995767	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+K"	39.970434
"236416"	258.076026	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+ACN+H"	42.033826
"1214467"	150.054926	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+ACN+H"	42.033826
"1200550"	75.531101	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+ACN+2H"	43.041102
"196702"	261.01336	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2Na-H"	44.97116
"638450"	369.03446	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2Na-H"	44.97116
"1138674"	152.99226	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2Na-H"	44.97116
"180144"	131.010318	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2Na"	45.978436
"628088"	185.020868	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2Na"	45.978436
"1123940"	76.999768	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2Na"	45.978436
"1409650"	51.6689373333333	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+2Na"	46.985712
"1437392"	155.033846	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+HCOOH"	47.012746
"227086"	136.04334	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+3H2O+2H"	56.04448
"1512960"	169.08589	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+IsoProp+H"	61.06479
"415926"	138.997288	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+Na+K"	61.952376
"772547"	193.007838	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+Na+K"	61.952376
"1668875"	84.986738	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na+K"	61.952376
"259769"	280.057968	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+ACN+Na"	64.015768
"1237580"	172.036868	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+ACN+Na"	64.015768
"1716991"	172.060393	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+NH4+HCOOH"	64.039293
"1183443"	58.9962513333333	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+3Na"	68.967654
"1654426"	177.015788	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na+HCOOH"	68.994688
"170039"	292.96124	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2K-H"	76.91904
"610692"	400.98234	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2K-H"	76.91904
"1094117"	184.94014	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2K-H"	76.91904
"143278"	146.984258	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"2M+2K"	77.926316
"586120"	200.994808	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"3M+2K"	77.926316
"1077197"	92.973708	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2K"	77.926316
"1102748"	186.954692	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2K+H"	78.933592
"1342416"	187.042307	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+DMSO+H"	79.021207
"1008757"	191.081476	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2ACN+H"	83.060376
"1532355"	192.075108	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+IsoProp+Na+H"	84.054008
"996613"	96.044376	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+2ACN+2H"	84.067652
"1589050"	192.989728	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K+HCOOH"	84.968628
"1424430"	223.021238	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+H+CF3COOH"	115.000138
"1159098"	116.557651	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+3ACN+2H"	125.094202
"1708656"	240.047785	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+NH4+CF3COOH"	132.026685
"1642116"	245.00318	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+Na+CF3COOH"	136.98208
"1584328"	260.97712	"C02351"	"o-Benzoquinone;12-Benzoquinone"	"C6H4O2"	"108.0211"	"M+K+CF3COOH"	152.95602
"804854"	329.0525	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M"	0
"974239"	310.03411	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-H2O-H"	-19.01839
"71007"	218.361057333333	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M-3H"	-3.021828
"508380"	328.045224	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M-3H"	-3.021828
"882899"	108.676890666667	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-3H"	-3.021828
"378"	328.045224	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M-2H"	-2.014552
"451975"	492.571474	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M-2H"	-2.014552
"821029"	163.518974	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-2H"	-2.014552
"88675"	657.097724	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M-H"	-1.007276
"523860"	986.150224	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M-H"	-1.007276
"906046"	328.045224	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-H"	-1.007276
"59326"	674.124271	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+NH4"	16.019271
"499978"	1003.176771	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+NH4"	16.019271
"876685"	345.071771	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-2H+NH4"	16.019271
"44586"	679.079666	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+Na"	20.974666
"484875"	1008.132166	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+Na"	20.974666
"856478"	350.027166	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-2H+Na"	20.974666
"1624924"	350.027166	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Na-2H"	20.974666
"100358"	346.033563	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M-H+Cl"	33.962126
"536273"	510.559813	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M-H+Cl"	33.962126
"927313"	181.507313	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-H+Cl"	33.962126
"267368"	693.074402	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+Cl"	34.969402
"660761"	1022.126902	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+Cl"	34.969402
"1272857"	364.021902	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Cl"	34.969402
"18279"	695.053606	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+K"	36.948606
"463310"	1024.106106	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+K"	36.948606
"832806"	366.001106	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-2H+K"	36.948606
"1560226"	366.001106	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+K-2H"	36.948606
"950296"	374.050694	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-H+HCOOH"	44.998194
"366324"	703.103201	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+HCOOH-H"	44.998201
"353491"	717.118851	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+Hac-H"	59.013851
"1495761"	388.066351	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Hac-H"	59.013851
"968771"	396.032651	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-H+NaCOOH"	66.980151
"116588"	364.021902	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+2Cl"	69.938804
"557241"	528.548152	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+2Cl"	69.938804
"1028226"	199.495652	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2Cl"	69.938804
"1253275"	407.971385	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Br"	78.918885
"1306975"	410.027372	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+HCOOH"	80.974872
"1334679"	432.009329	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+NaCOOH"	102.956829
"922091"	442.038086	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M-H+CF3COOH"	112.985586
"1302080"	478.014764	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+CF3COOH"	148.962264
"1372586"	294.039824	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H-2H2O"	-35.012676
"1383641"	312.0498	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H-H2O"	-17.0027
"290862"	659.112276	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+H"	1.007276
"685469"	988.164776	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+H"	1.007276
"1359634"	330.059776	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H"	1.007276
"129242"	330.059776	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+2H"	2.014552
"570992"	494.586026	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+2H"	2.014552
"1038697"	165.533526	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2H"	2.014552
"207692"	220.375609333333	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+3H"	3.021828
"652718"	330.059776	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+3H"	3.021828
"1167563"	110.691442666667	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+3H"	3.021828
"429741"	676.138823	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+NH4"	18.033823
"789647"	1005.191323	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+NH4"	18.033823
"1685981"	347.086323	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+NH4"	18.033823
"341935"	338.5730495	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+H+NH4"	19.041099
"735450"	503.0992995	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+H+NH4"	19.041099
"1487084"	174.0467995	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H+NH4"	19.041099
"406493"	681.094218	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+Na"	22.989218
"768946"	1010.146718	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+Na"	22.989218
"1617042"	352.041718	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Na"	22.989218
"324892"	341.050747	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+H+Na"	23.996494
"719500"	505.576997	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+H+Na"	23.996494
"1473319"	176.524497	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H+Na"	23.996494
"1062190"	118.018756666667	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2H+Na"	25.00377
"1269336"	362.085986	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+CH3OH+H"	33.033486
"389002"	697.068158	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+K"	38.963158
"744529"	1026.120658	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+K"	38.963158
"1544392"	368.015658	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+K"	38.963158
"303023"	349.037717	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+H+K"	39.970434
"694349"	513.563967	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+H+K"	39.970434
"1449996"	184.511467	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H+K"	39.970434
"240782"	700.138826	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+ACN+H"	42.033826
"1225126"	371.086326	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+H"	42.033826
"1209411"	186.046801	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+2H"	43.041102
"203502"	703.07616	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+2Na-H"	44.97116
"641478"	1032.12866	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+2Na-H"	44.97116
"1147037"	374.02366	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2Na-H"	44.97116
"188546"	352.041718	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+2Na"	45.978436
"627593"	516.567968	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+2Na"	45.978436
"1120040"	187.515468	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2Na"	45.978436
"1402106"	125.346070666667	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H+2Na"	46.985712
"1434587"	376.065246	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H+HCOOH"	47.012746
"224280"	357.07474	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+3H2O+2H"	56.04448
"1513070"	390.11729	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+IsoProp+H"	61.06479
"413848"	360.028688	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+Na+K"	61.952376
"770834"	524.554938	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+Na+K"	61.952376
"1668989"	195.502438	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Na+K"	61.952376
"255505"	722.120768	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+ACN+Na"	64.015768
"1232593"	393.068268	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+Na"	64.015768
"1716011"	393.091793	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+NH4+HCOOH"	64.039293
"1185740"	132.673384666667	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+3Na"	68.967654
"1656727"	398.047188	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Na+HCOOH"	68.994688
"163589"	735.02404	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+2K-H"	76.91904
"604252"	1064.07654	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+2K-H"	76.91904
"1092041"	405.97154	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2K-H"	76.91904
"144483"	368.015658	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"2M+2K"	77.926316
"586237"	532.541908	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"3M+2K"	77.926316
"1076214"	203.489408	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2K"	77.926316
"1105054"	407.986092	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2K+H"	78.933592
"1340339"	408.073707	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+DMSO+H"	79.021207
"1014343"	412.112876	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2ACN+H"	83.060376
"1531372"	413.106508	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+IsoProp+Na+H"	84.054008
"997818"	206.560076	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+2ACN+2H"	84.067652
"1596695"	414.021128	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+K+HCOOH"	84.968628
"1426734"	444.052638	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+H+CF3COOH"	115.000138
"1157023"	227.073351	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+3ACN+2H"	125.094202
"1709859"	461.079185	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+NH4+CF3COOH"	132.026685
"1649156"	466.03458	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+Na+CF3COOH"	136.98208
"1584439"	482.00852	"C02353"	"23-Cyclic AMP"	"C10H12N5O6P"	"329.0525"	"M+K+CF3COOH"	152.95602
"804964"	305.0413	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M"	0
"974485"	286.02291	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-H2O-H"	-19.01839
"74397"	202.353590666667	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M-3H"	-3.021828
"510676"	304.034024	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M-3H"	-3.021828
"883009"	100.673157333333	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-3H"	-3.021828
"852"	304.034024	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M-2H"	-2.014552
"454150"	456.554674	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M-2H"	-2.014552
"822232"	151.513374	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-2H"	-2.014552
"88785"	609.075324	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M-H"	-1.007276
"527250"	914.116624	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M-H"	-1.007276
"907249"	304.034024	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-H"	-1.007276
"58338"	626.101871	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M-2H+NH4"	16.019271
"497899"	931.143171	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M-2H+NH4"	16.019271
"876553"	321.060571	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-2H+NH4"	16.019271
"43601"	631.057266	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M-2H+Na"	20.974666
"484256"	936.098566	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M-2H+Na"	20.974666
"856588"	326.015966	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-2H+Na"	20.974666
"1623942"	326.015966	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Na-2H"	20.974666
"100469"	322.022363	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M-H+Cl"	33.962126
"536747"	474.543013	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M-H+Cl"	33.962126
"931356"	169.501713	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-H+Cl"	33.962126
"268572"	645.052002	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+Cl"	34.969402
"661599"	950.093302	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+Cl"	34.969402
"1274368"	340.010702	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Cl"	34.969402
"18385"	647.031206	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M-2H+K"	36.948606
"460140"	952.072506	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M-2H+K"	36.948606
"833361"	341.989906	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-2H+K"	36.948606
"1556320"	341.989906	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+K-2H"	36.948606
"943428"	350.039494	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-H+HCOOH"	44.998194
"363508"	655.080801	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+HCOOH-H"	44.998201
"353601"	669.096451	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+Hac-H"	59.013851
"1495871"	364.055151	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Hac-H"	59.013851
"968881"	372.021451	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-H+NaCOOH"	66.980151
"116698"	340.010702	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+2Cl"	69.938804
"557351"	492.531352	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+2Cl"	69.938804
"1028336"	187.490052	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2Cl"	69.938804
"1253385"	383.960185	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Br"	78.918885
"1307085"	386.016172	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Cl+HCOOH"	80.974872
"1332238"	407.998129	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Cl+NaCOOH"	102.956829
"922201"	418.026886	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M-H+CF3COOH"	112.985586
"1296721"	454.003564	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Cl+CF3COOH"	148.962264
"1372696"	270.028624	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H-2H2O"	-35.012676
"1391284"	288.0386	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H-H2O"	-17.0027
"289879"	611.089876	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+H"	1.007276
"687766"	916.131176	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+H"	1.007276
"1353184"	306.048576	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H"	1.007276
"131539"	306.048576	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+2H"	2.014552
"568186"	458.569226	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+2H"	2.014552
"1040995"	153.527926	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2H"	2.014552
"207802"	204.368142666667	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+3H"	3.021828
"651735"	306.048576	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+3H"	3.021828
"1165851"	102.687709333333	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+3H"	3.021828
"429852"	628.116423	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+NH4"	18.033823
"788299"	933.157723	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+NH4"	18.033823
"1686090"	323.075123	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+NH4"	18.033823
"340941"	314.5618495	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+H+NH4"	19.041099
"728985"	467.0824995	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+H+NH4"	19.041099
"1482804"	162.0411995	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H+NH4"	19.041099
"405874"	633.071818	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+Na"	22.989218
"769179"	938.113118	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+Na"	22.989218
"1616058"	328.030518	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Na"	22.989218
"329015"	317.039547	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+H+Na"	23.996494
"721312"	469.560197	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+H+Na"	23.996494
"1474156"	164.518897	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H+Na"	23.996494
"1064487"	110.015023333333	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2H+Na"	25.00377
"1269445"	338.074786	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+CH3OH+H"	33.033486
"388382"	649.045758	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+K"	38.963158
"746825"	954.087058	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+K"	38.963158
"1543043"	344.004458	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+K"	38.963158
"303133"	325.026517	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+H+K"	39.970434
"693000"	477.547167	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+H+K"	39.970434
"1450106"	172.505867	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H+K"	39.970434
"240892"	652.116426	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+ACN+H"	42.033826
"1224424"	347.075126	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+ACN+H"	42.033826
"1207700"	174.041201	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+ACN+2H"	43.041102
"202640"	655.05376	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+2Na-H"	44.97116
"642317"	960.09506	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+2Na-H"	44.97116
"1145463"	350.01246	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2Na-H"	44.97116
"187539"	328.030518	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+2Na"	45.978436
"626489"	480.551168	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+2Na"	45.978436
"1124160"	175.509868	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2Na"	45.978436
"1402945"	117.342337333333	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H+2Na"	46.985712
"1435790"	352.054046	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H+HCOOH"	47.012746
"224390"	333.06354	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+3H2O+2H"	56.04448
"1513180"	366.10609	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+IsoProp+H"	61.06479
"412865"	336.017488	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+Na+K"	61.952376
"776046"	488.538138	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+Na+K"	61.952376
"1672378"	183.496838	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Na+K"	61.952376
"258896"	674.098368	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+ACN+Na"	64.015768
"1232703"	369.057068	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+ACN+Na"	64.015768
"1720493"	369.080593	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+NH4+HCOOH"	64.039293
"1186943"	124.669651333333	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+3Na"	68.967654
"1661210"	374.035988	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Na+HCOOH"	68.994688
"164792"	687.00164	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+2K-H"	76.91904
"607998"	992.04294	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+2K-H"	76.91904
"1091051"	381.96034	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2K-H"	76.91904
"148960"	344.004458	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"2M+2K"	77.926316
"587427"	496.525108	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"3M+2K"	77.926316
"1073409"	191.483808	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2K"	77.926316
"1106255"	383.974892	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2K+H"	78.933592
"1343729"	384.062507	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+DMSO+H"	79.021207
"1013357"	388.101676	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2ACN+H"	83.060376
"1532211"	389.095308	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+IsoProp+Na+H"	84.054008
"996834"	194.554476	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+2ACN+2H"	84.067652
"1596805"	390.009928	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+K+HCOOH"	84.968628
"1425751"	420.041438	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+H+CF3COOH"	115.000138
"1159319"	215.067751	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+3ACN+2H"	125.094202
"1711062"	437.067985	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+NH4+CF3COOH"	132.026685
"1649266"	442.02338	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+Na+CF3COOH"	136.98208
"1584549"	457.99732	"C02354"	"23-Cyclic CMP"	"C9H12N3O7P"	"305.0413"	"M+K+CF3COOH"	152.95602
"805074"	306.0253	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M"	0
"975201"	287.00691	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-H2O-H"	-19.01839
"74506"	203.009590666667	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M-3H"	-3.021828
"508600"	305.018024	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M-3H"	-3.021828
"883119"	101.001157333333	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-3H"	-3.021828
"1691"	305.018024	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M-2H"	-2.014552
"453288"	458.030674	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M-2H"	-2.014552
"822342"	152.005374	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-2H"	-2.014552
"88895"	611.043324	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M-H"	-1.007276
"527360"	917.068624	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M-H"	-1.007276
"905170"	305.018024	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-H"	-1.007276
"55168"	628.069871	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M-2H+NH4"	16.019271
"496915"	934.095171	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M-2H+NH4"	16.019271
"874717"	322.044571	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-2H+NH4"	16.019271
"42618"	633.025266	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M-2H+Na"	20.974666
"483273"	939.050566	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M-2H+Na"	20.974666
"856698"	326.999966	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-2H+Na"	20.974666
"1624052"	326.999966	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Na-2H"	20.974666
"99486"	323.006363	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M-H+Cl"	33.962126
"535397"	476.019013	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M-H+Cl"	33.962126
"929279"	169.993713	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-H+Cl"	33.962126
"269654"	647.020002	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+Cl"	34.969402
"662438"	953.045302	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+Cl"	34.969402
"1275207"	340.994702	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Cl"	34.969402
"18133"	648.999206	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M-2H+K"	36.948606
"460250"	955.024506	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M-2H+K"	36.948606
"836956"	342.973906	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-2H+K"	36.948606
"1558256"	342.973906	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+K-2H"	36.948606
"943950"	351.023494	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-H+HCOOH"	44.998194
"362526"	657.048801	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+HCOOH-H"	44.998201
"352618"	671.064451	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+Hac-H"	59.013851
"1495981"	365.039151	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Hac-H"	59.013851
"965709"	373.005451	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-H+NaCOOH"	66.980151
"115715"	340.994702	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+2Cl"	69.938804
"560377"	494.007352	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+2Cl"	69.938804
"1029541"	187.982052	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2Cl"	69.938804
"1252402"	384.944185	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Br"	78.918885
"1313755"	387.000172	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Cl+HCOOH"	80.974872
"1330162"	408.982129	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Cl+NaCOOH"	102.956829
"922311"	419.010886	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M-H+CF3COOH"	112.985586
"1296831"	454.987564	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Cl+CF3COOH"	148.962264
"1374993"	271.012624	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H-2H2O"	-35.012676
"1393581"	289.0226	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H-H2O"	-17.0027
"292176"	613.057876	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+H"	1.007276
"687876"	919.083176	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+H"	1.007276
"1353294"	307.032576	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H"	1.007276
"136022"	307.032576	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+2H"	2.014552
"567929"	460.045226	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+2H"	2.014552
"1039644"	154.019926	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2H"	2.014552
"208276"	205.024142666667	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+3H"	3.021828
"649292"	307.032576	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+3H"	3.021828
"1165960"	103.015709333333	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+3H"	3.021828
"432150"	630.084423	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+NH4"	18.033823
"788043"	936.109723	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+NH4"	18.033823
"1685107"	324.059123	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+NH4"	18.033823
"339958"	315.5458495	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+H+NH4"	19.041099
"731281"	468.5584995	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+H+NH4"	19.041099
"1485100"	162.5331995	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H+NH4"	19.041099
"406713"	635.039818	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+Na"	22.989218
"769294"	941.065118	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+Na"	22.989218
"1618158"	329.014518	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Na"	22.989218
"329611"	318.023547	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+H+Na"	23.996494
"722358"	471.036197	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+H+Na"	23.996494
"1474266"	165.010897	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H+Na"	23.996494
"1067150"	110.343023333333	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2H+Na"	25.00377
"1271378"	339.058786	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+CH3OH+H"	33.033486
"388856"	651.013758	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+K"	38.963158
"749853"	957.039058	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+K"	38.963158
"1544977"	344.988458	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+K"	38.963158
"301057"	326.010517	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+H+K"	39.970434
"695299"	479.023167	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+H+K"	39.970434
"1453495"	172.997867	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H+K"	39.970434
"241002"	654.084426	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+ACN+H"	42.033826
"1224655"	348.059126	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+ACN+H"	42.033826
"1204162"	174.533201	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+ACN+2H"	43.041102
"202750"	657.02176	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+2Na-H"	44.97116
"642063"	963.04706	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+2Na-H"	44.97116
"1145573"	350.99646	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2Na-H"	44.97116
"186674"	329.014518	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+2Na"	45.978436
"624775"	482.027168	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+2Na"	45.978436
"1125363"	176.001868	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2Na"	45.978436
"1403055"	117.670337333333	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H+2Na"	46.985712
"1434443"	353.038046	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H+HCOOH"	47.012746
"226322"	334.04754	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+3H2O+2H"	56.04448
"1515477"	367.09009	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+IsoProp+H"	61.06479
"417350"	337.001488	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+Na+K"	61.952376
"778345"	490.014138	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+Na+K"	61.952376
"1674676"	183.988838	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Na+K"	61.952376
"262288"	676.066368	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+ACN+Na"	64.015768
"1236090"	370.041068	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+ACN+Na"	64.015768
"1721696"	370.064593	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+NH4+HCOOH"	64.039293
"1187050"	124.997651333333	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+3Na"	68.967654
"1660226"	375.019988	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Na+HCOOH"	68.994688
"169640"	688.96964	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+2K-H"	76.91904
"608475"	994.99494	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+2K-H"	76.91904
"1093346"	382.94434	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2K-H"	76.91904
"147978"	344.988458	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"2M+2K"	77.926316
"586445"	498.001108	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"3M+2K"	77.926316
"1073153"	191.975808	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2K"	77.926316
"1107458"	384.958892	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2K+H"	78.933592
"1339465"	385.046507	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+DMSO+H"	79.021207
"1012373"	389.085676	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2ACN+H"	83.060376
"1530497"	390.079308	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+IsoProp+Na+H"	84.054008
"995849"	195.046476	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+2ACN+2H"	84.067652
"1587675"	390.993928	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+K+HCOOH"	84.968628
"1423671"	421.025438	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+H+CF3COOH"	115.000138
"1157242"	215.559751	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+3ACN+2H"	125.094202
"1708986"	438.051985	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+NH4+CF3COOH"	132.026685
"1649660"	443.00738	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+Na+CF3COOH"	136.98208
"1584659"	458.98132	"C02355"	"23-Cyclic UMP"	"C9H11N2O8P"	"306.0253"	"M+K+CF3COOH"	152.95602
"805184"	103.0633	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M"	0
"976893"	84.04491	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"68056"	67.7015906666667	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"509803"	102.056024	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"883229"	33.3471573333333	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"830"	102.056024	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"454491"	153.587674	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"824638"	50.524374	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"90098"	205.119324	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"527470"	308.182624	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"909651"	102.056024	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"59653"	222.145871	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"499211"	325.209171	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"877013"	119.082571	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"41634"	227.101266	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"479007"	330.164566	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"851705"	124.037966	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1625255"	124.037966	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"100689"	120.044363	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"536240"	171.576013	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"930117"	68.512713	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"268673"	241.096002	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"662551"	344.159302	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1275685"	138.032702	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"17998"	243.075206	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"461453"	346.138506	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"833908"	140.011906	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1559460"	140.011906	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"945154"	148.061494	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"364464"	251.124801	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"351634"	265.140451	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1494025"	162.077151	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"965819"	170.043451	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"118012"	138.032702	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"558665"	189.564352	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1030744"	86.501052	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1249233"	181.982185	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1315688"	184.038172	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1331365"	206.020129	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"922421"	216.048886	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1298034"	252.025564	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1380570"	68.050624	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1394785"	86.0606	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"291192"	207.133876	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"689080"	310.197176	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1356684"	104.070576	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"139414"	104.070576	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"568770"	155.602226	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1039755"	52.538926	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"208749"	69.7161426666667	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"650861"	104.070576	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1167163"	35.3617093333333	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"432260"	224.160423	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"788882"	327.223723	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1686310"	121.097123	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"342254"	112.5838495	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"732484"	164.1154995	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1485210"	61.0521995	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"405001"	229.115818	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"769035"	332.179118	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1617374"	126.052518	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"327775"	115.061547	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"721979"	166.593197	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1476077"	63.529897	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1067826"	42.6890233333333	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1270757"	136.096786	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"389330"	245.089758	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"750326"	348.153058	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1548002"	142.026458	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"301895"	123.048517	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"695409"	174.580167	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1451418"	71.516867	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"240018"	248.160426	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1223671"	145.097126	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1207551"	73.052201	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"203465"	251.09776	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"639257"	354.16106	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1145315"	148.03446	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"187148"	126.052518	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"624885"	177.584168	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1125473"	74.520868	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1407904"	50.0163373333333	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1436011"	150.076046	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"226432"	131.08554	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1522879"	164.12809	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"423416"	134.039488	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"782827"	185.571138	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1675879"	82.507838	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"264585"	270.142368	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1239479"	167.079068	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1722901"	167.102593	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1190440"	57.3436513333333	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1662523"	172.057988	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"170478"	283.04564	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"609678"	386.10894	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1092364"	179.98234	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"153556"	142.026458	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"589836"	193.558108	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1071074"	90.494808	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1106473"	181.996892	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1338482"	182.084507	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1013576"	186.123676	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1530607"	187.117308	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"994866"	93.565476	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1588638"	188.031928	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1421595"	218.063438	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1155165"	114.078751	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1708003"	235.089985	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1649608"	240.04538	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1584769"	256.01932	"C02356"	"(S)-2-Aminobutanoate;(S)-2-Aminobutanoic acid;(S)-2-Aminobutyric acid"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"805294"	155.9978	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M"	0
"978826"	136.97941	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H2O-H"	-19.01839
"67072"	102.991257333333	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-3H"	-3.021828
"508820"	154.990524	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-3H"	-3.021828
"883339"	50.9919906666667	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-3H"	-3.021828
"820"	154.990524	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H"	-2.014552
"453508"	232.989424	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H"	-2.014552
"822562"	76.991624	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H"	-2.014552
"88022"	310.988324	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-H"	-1.007276
"525394"	466.986124	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-H"	-1.007276
"907575"	154.990524	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H"	-1.007276
"58670"	328.014871	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H+NH4"	16.019271
"498228"	484.012671	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H+NH4"	16.019271
"877123"	172.017071	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H+NH4"	16.019271
"41744"	332.970266	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H+Na"	20.974666
"473284"	488.968066	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H+Na"	20.974666
"851813"	176.972466	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H+Na"	20.974666
"1627552"	176.972466	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na-2H"	20.974666
"100799"	172.978863	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-H+Cl"	33.962126
"536350"	250.977763	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-H+Cl"	33.962126
"929498"	94.979963	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+Cl"	33.962126
"269147"	346.965002	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Cl"	34.969402
"662663"	502.962802	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+Cl"	34.969402
"1275431"	190.967202	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl"	34.969402
"18716"	348.944206	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H+K"	36.948606
"457189"	504.942006	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H+K"	36.948606
"834018"	192.946406	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H+K"	36.948606
"1559569"	192.946406	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K-2H"	36.948606
"945263"	200.995994	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+HCOOH"	44.998194
"362386"	356.993801	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+HCOOH-H"	44.998201
"346636"	371.009451	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Hac-H"	59.013851
"1494013"	215.011651	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Hac-H"	59.013851
"959120"	222.977951	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+NaCOOH"	66.980151
"115935"	190.967202	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2Cl"	69.938804
"559868"	268.966102	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2Cl"	69.938804
"1030854"	112.968302	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2Cl"	69.938804
"1250436"	234.916685	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Br"	78.918885
"1317985"	236.972672	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl+HCOOH"	80.974872
"1329289"	258.954629	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl+NaCOOH"	102.956829
"922532"	268.983386	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+CF3COOH"	112.985586
"1300331"	304.960064	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl+CF3COOH"	148.962264
"1379587"	120.985124	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H-2H2O"	-35.012676
"1394895"	138.9951	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H-H2O"	-17.0027
"292396"	313.002876	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H"	1.007276
"688827"	469.000676	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H"	1.007276
"1360074"	157.005076	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H"	1.007276
"140375"	157.005076	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2H"	2.014552
"569244"	235.003976	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2H"	2.014552
"1041324"	79.006176	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2H"	2.014552
"208860"	105.005809333333	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+3H"	3.021828
"650606"	157.005076	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+3H"	3.021828
"1168732"	53.0065426666667	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+3H"	3.021828
"430183"	330.029423	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+NH4"	18.033823
"788990"	486.027223	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+NH4"	18.033823
"1685687"	174.031623	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+NH4"	18.033823
"331785"	165.5183495	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H+NH4"	19.041099
"724937"	243.5172495	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H+NH4"	19.041099
"1482040"	87.5194495	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+NH4"	19.041099
"407986"	334.984818	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Na"	22.989218
"769390"	490.982618	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+Na"	22.989218
"1617976"	178.987018	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na"	22.989218
"329631"	167.996047	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H+Na"	23.996494
"722417"	245.994947	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H+Na"	23.996494
"1476308"	89.997147	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+Na"	23.996494
"1068098"	60.3338566666667	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2H+Na"	25.00377
"1269774"	189.031286	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+CH3OH+H"	33.033486
"389440"	350.958758	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+K"	38.963158
"751529"	506.956558	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+K"	38.963158
"1547019"	194.960958	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K"	38.963158
"300912"	175.983017	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H+K"	39.970434
"695519"	253.981917	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H+K"	39.970434
"1450434"	97.984117	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+K"	39.970434
"241221"	354.029426	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+ACN+H"	42.033826
"1222687"	198.031626	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+ACN+H"	42.033826
"1205475"	99.519451	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+ACN+2H"	43.041102
"201266"	356.96676	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2Na-H"	44.97116
"636815"	512.96456	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2Na-H"	44.97116
"1145061"	200.96896	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2Na-H"	44.97116
"186773"	178.987018	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2Na"	45.978436
"625359"	256.985918	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2Na"	45.978436
"1123397"	100.988118	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2Na"	45.978436
"1405828"	67.6611706666667	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+2Na"	46.985712
"1435757"	203.010546	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+HCOOH"	47.012746
"227635"	184.02004	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+3H2O+2H"	56.04448
"1523801"	217.06259	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+IsoProp+H"	61.06479
"422310"	186.973988	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Na+K"	61.952376
"782938"	264.972888	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+Na+K"	61.952376
"1677083"	108.975088	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na+K"	61.952376
"262509"	376.011368	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+ACN+Na"	64.015768
"1239591"	220.013568	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+ACN+Na"	64.015768
"1724104"	220.037093	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+NH4+HCOOH"	64.039293
"1189457"	74.9884846666667	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+3Na"	68.967654
"1662633"	224.992488	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na+HCOOH"	68.994688
"169861"	388.91464	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2K-H"	76.91904
"607600"	544.91244	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2K-H"	76.91904
"1091745"	232.91684	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2K-H"	76.91904
"152573"	194.960958	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2K"	77.926316
"591040"	272.959858	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2K"	77.926316
"1070571"	116.962058	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2K"	77.926316
"1106583"	234.931392	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2K+H"	78.933592
"1338592"	235.019007	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+DMSO+H"	79.021207
"1013686"	239.058176	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2ACN+H"	83.060376
"1529624"	240.051808	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+IsoProp+Na+H"	84.054008
"996069"	120.032726	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2ACN+2H"	84.067652
"1588748"	240.966428	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K+HCOOH"	84.968628
"1419518"	270.997938	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+CF3COOH"	115.000138
"1153089"	140.546001	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+3ACN+2H"	125.094202
"1709935"	288.024485	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+NH4+CF3COOH"	132.026685
"1648867"	292.97988	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na+CF3COOH"	136.98208
"1584879"	308.95382	"C02357"	"2-Chlorobenzoate;2-Chlorobenzoic acid;o-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K+CF3COOH"	152.95602
"805404"	140.0274	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M"	0
"978936"	121.00901	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H2O-H"	-19.01839
"67182"	92.344324	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-3H"	-3.021828
"508930"	139.020124	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-3H"	-3.021828
"883449"	45.668524	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-3H"	-3.021828
"2023"	139.020124	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H"	-2.014552
"452525"	209.033824	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H"	-2.014552
"821579"	69.006424	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H"	-2.014552
"88132"	279.047524	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-H"	-1.007276
"525504"	419.074924	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-H"	-1.007276
"900029"	139.020124	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H"	-1.007276
"53311"	296.074071	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+NH4"	16.019271
"488858"	436.101471	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+NH4"	16.019271
"869212"	156.046671	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+NH4"	16.019271
"36021"	301.029466	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+Na"	20.974666
"473148"	441.056866	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+Na"	20.974666
"850827"	161.002066	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+Na"	20.974666
"1620005"	161.002066	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na-2H"	20.974666
"95802"	157.008463	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-H+Cl"	33.962126
"536086"	227.022163	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-H+Cl"	33.962126
"928874"	86.994763	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+Cl"	33.962126
"268892"	315.024202	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Cl"	34.969402
"663865"	455.051602	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Cl"	34.969402
"1277364"	174.996802	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl"	34.969402
"21013"	317.003406	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+K"	36.948606
"457299"	457.030806	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+K"	36.948606
"835100"	176.976006	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+K"	36.948606
"1559681"	176.976006	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K-2H"	36.948606
"945375"	185.025594	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+HCOOH"	44.998194
"364683"	325.053001	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+HCOOH-H"	44.998201
"348572"	339.068651	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Hac-H"	59.013851
"1498499"	199.041251	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Hac-H"	59.013851
"963852"	207.007551	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+NaCOOH"	66.980151
"116041"	174.996802	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Cl"	69.938804
"556697"	245.010502	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Cl"	69.938804
"1028777"	104.983102	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Cl"	69.938804
"1252732"	218.946285	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Br"	78.918885
"1316272"	221.002272	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+HCOOH"	80.974872
"1328305"	242.984229	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+NaCOOH"	102.956829
"919363"	253.012986	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+CF3COOH"	112.985586
"1301535"	288.989664	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+CF3COOH"	148.962264
"1380791"	105.014724	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H-2H2O"	-35.012676
"1398044"	123.0247	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H-H2O"	-17.0027
"294693"	281.062076	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H"	1.007276
"689300"	421.089476	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H"	1.007276
"1361278"	141.034676	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H"	1.007276
"138175"	141.034676	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2H"	2.014552
"568260"	211.048376	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2H"	2.014552
"1040341"	71.020976	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2H"	2.014552
"208970"	94.358876	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+3H"	3.021828
"651444"	141.034676	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+3H"	3.021828
"1169208"	47.683076	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3H"	3.021828
"432481"	298.088623	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+NH4"	18.033823
"789829"	438.116023	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+NH4"	18.033823
"1686525"	158.061223	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4"	18.033823
"335909"	149.5479495	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+NH4"	19.041099
"724682"	219.5616495	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+NH4"	19.041099
"1484338"	79.5342495	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+NH4"	19.041099
"408501"	303.044018	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Na"	22.989218
"769888"	443.071418	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Na"	22.989218
"1618376"	163.016618	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na"	22.989218
"329824"	152.025647	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+Na"	23.996494
"722525"	222.039347	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+Na"	23.996494
"1476054"	82.011947	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+Na"	23.996494
"1068467"	55.01039	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2H+Na"	25.00377
"1271709"	173.060886	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+CH3OH+H"	33.033486
"391012"	319.017958	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+K"	38.963158
"751278"	459.045358	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+K"	38.963158
"1554058"	178.990558	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K"	38.963158
"306491"	160.012617	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+K"	39.970434
"696723"	230.026317	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+K"	39.970434
"1449451"	89.998917	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+K"	39.970434
"241333"	322.088626	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+ACN+H"	42.033826
"1222797"	182.061226	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+H"	42.033826
"1204493"	91.534251	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+2H"	43.041102
"202106"	325.02596	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Na-H"	44.97116
"641665"	465.05336	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Na-H"	44.97116
"1144083"	184.99856	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Na-H"	44.97116
"184090"	163.016618	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Na"	45.978436
"626201"	233.030318	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Na"	45.978436
"1127883"	93.002918	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Na"	45.978436
"1405939"	62.337704	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+2Na"	46.985712
"1433681"	187.040146	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+HCOOH"	47.012746
"227382"	168.04964	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+3H2O+2H"	56.04448
"1520181"	201.09219	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+IsoProp+H"	61.06479
"420597"	171.003588	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Na+K"	61.952376
"782687"	241.017288	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Na+K"	61.952376
"1677191"	100.989888	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+K"	61.952376
"263712"	344.070568	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+ACN+Na"	64.015768
"1239219"	204.043168	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+Na"	64.015768
"1724582"	204.066693	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4+HCOOH"	64.039293
"1190668"	69.665018	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3Na"	68.967654
"1662381"	209.022088	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+HCOOH"	68.994688
"167421"	356.97384	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2K-H"	76.91904
"609533"	497.00124	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2K-H"	76.91904
"1086757"	216.94644	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K-H"	76.91904
"148312"	178.990558	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2K"	77.926316
"590788"	249.004258	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2K"	77.926316
"1072382"	108.976858	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K"	77.926316
"1103412"	218.960992	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K+H"	78.933592
"1336634"	219.048607	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+DMSO+H"	79.021207
"1012703"	223.087776	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2ACN+H"	83.060376
"1531920"	224.081408	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+IsoProp+Na+H"	84.054008
"995086"	112.047526	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2ACN+2H"	84.067652
"1591776"	224.996028	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K+HCOOH"	84.968628
"1418535"	255.027538	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+CF3COOH"	115.000138
"1151010"	132.560801	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3ACN+2H"	125.094202
"1711138"	272.054085	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4+CF3COOH"	132.026685
"1649340"	277.00948	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+CF3COOH"	136.98208
"1584989"	292.98342	"C02359"	"2-Fluorobenzoate;2-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K+CF3COOH"	152.95602
"805514"	162.0528	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M"	0
"982326"	143.03441	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"64740"	107.027924	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"506853"	161.045524	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"882465"	53.010324	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"4320"	161.045524	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"448259"	242.071924	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"822782"	80.019124	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"88242"	323.098324	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"525614"	485.151124	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"902326"	161.045524	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"51234"	340.124871	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"488966"	502.177671	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"866406"	178.072071	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"36131"	345.080266	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"472771"	507.133066	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"849845"	183.027466	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1619750"	183.027466	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"95547"	179.033863	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"534739"	260.060263	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"928619"	98.007463	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"268637"	359.075002	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"662881"	521.127802	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1274192"	197.022202	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"18207"	361.054206	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"456356"	523.107006	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"833265"	199.001406	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1557605"	199.001406	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"944392"	207.050994	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363699"	369.103801	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"350869"	383.119451	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1498609"	221.066651	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"961774"	229.032951	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"116151"	197.022202	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"557899"	278.048602	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1035444"	115.995802	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1252838"	240.971685	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1317475"	243.027672	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1330601"	265.009629	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"921659"	275.038386	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1301646"	311.015064	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1379808"	127.040124	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1398238"	145.0501	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"293710"	325.112876	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"689411"	487.165676	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1362482"	163.060076	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"139378"	163.060076	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"568733"	244.086476	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1042273"	82.033676	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"209808"	109.042476	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"652285"	163.060076	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1170410"	55.024876	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"432592"	342.139423	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"789575"	504.192223	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1685177"	180.086623	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"334926"	171.5733495	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"724064"	252.5997495	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1481168"	90.5469495	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"393769"	347.094818	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"761936"	509.147618	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1606752"	185.042018	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"321170"	174.051047	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"709214"	255.077447	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1471789"	93.024647	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1068204"	62.35219	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1271821"	195.086286	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"391124"	363.068758	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"751756"	525.121558	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1552348"	201.015958	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"306603"	182.038017	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"697928"	263.064417	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1449561"	101.011617	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"244726"	366.139426	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1221451"	204.086626	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1208740"	102.546951	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"203800"	369.07676	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"642389"	531.12956	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1143828"	207.02396	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"186026"	185.042018	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"624853"	266.068418	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1127630"	104.015618	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1406050"	69.679504	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1438166"	209.065546	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"224213"	190.07504	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1515918"	223.11759	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"417791"	193.028988	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"782796"	274.055388	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1680466"	112.002588	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"264553"	388.121368	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1237624"	226.068568	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1726150"	226.092093	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1191503"	77.006818	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1662490"	231.047488	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"169718"	401.02464	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"607820"	563.07744	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1087596"	238.97184	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"148422"	201.015958	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"591262"	282.042358	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1073586"	119.989558	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1104616"	240.986392	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1337716"	241.074007	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1016093"	245.113176	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1530938"	246.106808	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"995197"	123.060226	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1598448"	247.021428	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1419738"	277.052938	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1151120"	143.573501	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1711127"	294.079485	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1649329"	299.03488	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1585099"	315.00882	"C02360"	"2-Hydroxyadipate;2-Hydroxyadipic acid"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"805624"	131.0219	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M"	0
"979156"	112.00351	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-H2O-H"	-19.01839
"64364"	86.3406573333333	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M-3H"	-3.021828
"508056"	130.014624	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M-3H"	-3.021828
"881603"	42.6666906666667	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-3H"	-3.021828
"3337"	130.014624	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M-2H"	-2.014552
"442901"	195.525574	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M-2H"	-2.014552
"819611"	64.503674	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-2H"	-2.014552
"88352"	261.036524	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M-H"	-1.007276
"522808"	392.058424	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M-H"	-1.007276
"902436"	130.014624	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-H"	-1.007276
"51708"	278.063071	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M-2H+NH4"	16.019271
"489077"	409.084971	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M-2H+NH4"	16.019271
"867609"	147.041171	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-2H+NH4"	16.019271
"36241"	283.018466	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M-2H+Na"	20.974666
"473612"	414.040366	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M-2H+Na"	20.974666
"851048"	151.996566	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-2H+Na"	20.974666
"1619860"	151.996566	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Na-2H"	20.974666
"96386"	148.002963	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M-H+Cl"	33.962126
"535094"	213.513913	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M-H+Cl"	33.962126
"928731"	82.492013	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-H+Cl"	33.962126
"269113"	297.013202	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+Cl"	34.969402
"662992"	428.035102	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+Cl"	34.969402
"1277583"	165.991302	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Cl"	34.969402
"20140"	298.992406	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M-2H+K"	36.948606
"456788"	430.014306	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M-2H+K"	36.948606
"834225"	167.970506	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-2H+K"	36.948606
"1558806"	167.970506	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+K-2H"	36.948606
"944500"	176.020094	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-H+HCOOH"	44.998194
"365995"	307.042001	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+HCOOH-H"	44.998201
"345783"	321.057651	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+Hac-H"	59.013851
"1496530"	190.035751	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Hac-H"	59.013851
"960061"	198.002051	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-H+NaCOOH"	66.980151
"116261"	165.991302	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+2Cl"	69.938804
"555822"	231.502252	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+2Cl"	69.938804
"1030087"	100.480352	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2Cl"	69.938804
"1249667"	209.940785	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Br"	78.918885
"1316489"	211.996772	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Cl+HCOOH"	80.974872
"1327428"	233.978729	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Cl+NaCOOH"	102.956829
"919579"	244.007486	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M-H+CF3COOH"	112.985586
"1303861"	279.984164	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Cl+CF3COOH"	148.962264
"1381011"	96.009224	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H-2H2O"	-35.012676
"1398102"	114.0192	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H-H2O"	-17.0027
"292726"	263.051076	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+H"	1.007276
"687334"	394.072976	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+H"	1.007276
"1362590"	132.029176	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H"	1.007276
"136572"	132.029176	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+2H"	2.014552
"566658"	197.540126	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+2H"	2.014552
"1038738"	66.518226	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2H"	2.014552
"207731"	88.3552093333333	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+3H"	3.021828
"652396"	132.029176	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+3H"	3.021828
"1170156"	44.6812426666667	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+3H"	3.021828
"431605"	280.077623	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+NH4"	18.033823
"789321"	411.099523	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+NH4"	18.033823
"1685287"	149.055723	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+NH4"	18.033823
"335036"	140.5424495	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+H+NH4"	19.041099
"724903"	206.0533995	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+H+NH4"	19.041099
"1482371"	75.0314995	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H+NH4"	19.041099
"394244"	285.033018	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+Na"	22.989218
"762046"	416.054918	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+Na"	22.989218
"1607955"	154.011118	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Na"	22.989218
"320187"	143.020147	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+H+Na"	23.996494
"712603"	208.531097	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+H+Na"	23.996494
"1462655"	77.509197	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H+Na"	23.996494
"1056025"	52.0085566666667	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2H+Na"	25.00377
"1266821"	164.055386	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+CH3OH+H"	33.033486
"387581"	301.006958	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+K"	38.963158
"750765"	432.028858	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+K"	38.963158
"1548445"	169.985058	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+K"	38.963158
"304526"	151.007117	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+H+K"	39.970434
"695852"	216.518067	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+H+K"	39.970434
"1455144"	85.496167	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H+K"	39.970434
"244838"	304.077626	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+ACN+H"	42.033826
"1220832"	173.055726	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+ACN+H"	42.033826
"1209215"	87.031501	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+ACN+2H"	43.041102
"202940"	307.01496	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+2Na-H"	44.97116
"641888"	438.03686	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+2Na-H"	44.97116
"1144670"	175.99306	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2Na-H"	44.97116
"186258"	154.011118	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+2Na"	45.978436
"623506"	219.522068	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+2Na"	45.978436
"1122637"	88.500168	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2Na"	45.978436
"1406159"	59.3358706666667	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H+2Na"	46.985712
"1433171"	178.034646	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H+HCOOH"	47.012746
"225779"	159.04414	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+3H2O+2H"	56.04448
"1513843"	192.08669	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+IsoProp+H"	61.06479
"414621"	161.998088	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+Na+K"	61.952376
"783149"	227.509038	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+Na+K"	61.952376
"1678508"	96.487138	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Na+K"	61.952376
"265149"	326.059568	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+ACN+Na"	64.015768
"1239436"	195.037668	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+ACN+Na"	64.015768
"1726620"	195.061193	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+NH4+HCOOH"	64.039293
"1190884"	66.6631846666667	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+3Na"	68.967654
"1662236"	200.016588	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Na+HCOOH"	68.994688
"169828"	338.96284	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+2K-H"	76.91904
"609022"	469.98474	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+2K-H"	76.91904
"1087342"	207.94094	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2K-H"	76.91904
"148531"	169.985058	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"2M+2K"	77.926316
"589914"	235.496008	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"3M+2K"	77.926316
"1070782"	104.474108	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2K"	77.926316
"1104726"	209.955492	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2K+H"	78.933592
"1338923"	210.043107	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+DMSO+H"	79.021207
"1010735"	214.082276	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2ACN+H"	83.060376
"1529956"	215.075908	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+IsoProp+Na+H"	84.054008
"995310"	107.544776	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+2ACN+2H"	84.067652
"1593092"	215.990528	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+K+HCOOH"	84.968628
"1418755"	246.022038	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+H+CF3COOH"	115.000138
"1154512"	128.058051	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+3ACN+2H"	125.094202
"1706253"	263.048585	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+NH4+CF3COOH"	132.026685
"1647739"	268.00398	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+Na+CF3COOH"	136.98208
"1585209"	283.97792	"C02362"	"2-Oxosuccinamate;2-Oxosuccinamic acid;gamma-Aminooxaloacetate;Oxaloacetamide"	"C4H5NO4"	"131.0219"	"M+K+CF3COOH"	152.95602
"809014"	166.063	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M"	0
"979266"	147.04461	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"65326"	109.701390666667	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"508166"	165.055724	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"884872"	54.3470573333333	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"6727"	165.055724	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"443011"	248.087224	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"817893"	82.024224	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"84088"	331.118724	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"520731"	497.181724	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"897074"	165.055724	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"48404"	348.145271	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"492107"	514.208271	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"866625"	182.082271	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"34284"	353.100666	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"472747"	519.163666	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"850427"	187.037666	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1621424"	187.037666	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"97589"	183.044063	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"536420"	266.075563	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"929934"	100.012563	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"269223"	367.095402	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"664196"	533.158402	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1278786"	201.032402	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"20250"	369.074606	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"458722"	535.137606	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"834213"	203.011606	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1557822"	203.011606	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"946797"	211.061194	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"365012"	377.124201	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"347922"	391.139851	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1495181"	225.076851	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"958788"	233.043151	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"114912"	201.032402	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"553378"	284.063902	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1025094"	118.000902	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1254150"	244.981885	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1318785"	247.037872	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1334094"	269.019829	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"922965"	279.048586	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1304015"	315.025264	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1381119"	131.050324	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1397157"	149.0603	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"296844"	333.133276	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"687080"	499.196276	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1359417"	167.070276	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H"	1.007276
"137776"	167.070276	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"567859"	250.101776	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1039574"	84.038776	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"208933"	111.715942666667	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"652139"	167.070276	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1170264"	56.3616093333333	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"431716"	350.159823	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"786387"	516.222823	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1682719"	184.096823	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"332591"	175.5835495	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"724646"	258.6150495	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1480291"	92.5520495	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"394596"	355.115218	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"759967"	521.178218	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1605878"	189.052218	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"321388"	178.061247	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"712713"	261.092747	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1463373"	95.029747	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1057228"	63.6889233333333	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1268024"	199.096486	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"382222"	371.089158	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"748688"	537.152158	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1549645"	205.026158	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+K"	38.963158
"302445"	186.048217	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"694869"	269.079717	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1455254"	103.016717	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"247134"	374.159826	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1223128"	208.096826	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1209210"	104.552051	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"203051"	377.09716	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"642362"	543.16016	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1145137"	211.03416	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"186492"	189.052218	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"623616"	272.083718	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1124934"	106.020718	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1406269"	71.0162373333333	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1434010"	213.075746	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"224067"	194.08524	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1515046"	227.12779	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"414730"	197.039188	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"781193"	280.070688	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1675337"	114.007688	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"266354"	396.141768	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1241260"	230.078768	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1726366"	230.102293	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1190628"	78.3435513333333	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1662344"	235.057688	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"168478"	409.04504	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"608403"	575.10804	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1085386"	242.98204	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"144268"	205.026158	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"588202"	288.057658	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1070528"	121.994658	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1104836"	244.996592	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1339033"	245.084207	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1010845"	249.123376	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1530066"	250.117008	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"996514"	125.065326	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1594295"	251.031628	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1419958"	281.063138	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1154622"	145.578601	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1706363"	298.089685	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1649308"	303.04508	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1585319"	319.01902	"C02363"	"3-Ethoxybenzoate;3-Ethoxybenzoic acid"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"805844"	140.0274	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M"	0
"979376"	121.00901	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H2O-H"	-19.01839
"71996"	92.344324	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-3H"	-3.021828
"509369"	139.020124	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-3H"	-3.021828
"884982"	45.668524	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-3H"	-3.021828
"5014"	139.020124	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H"	-2.014552
"444215"	209.033824	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H"	-2.014552
"819830"	69.006424	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H"	-2.014552
"84198"	279.047524	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-H"	-1.007276
"521205"	419.074924	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-H"	-1.007276
"899371"	139.020124	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H"	-1.007276
"48762"	296.074071	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+NH4"	16.019271
"490759"	436.101471	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+NH4"	16.019271
"867829"	156.046671	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+NH4"	16.019271
"35002"	301.029466	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+Na"	20.974666
"473953"	441.056866	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+Na"	20.974666
"850296"	161.002066	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+Na"	20.974666
"1624821"	161.002066	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na-2H"	20.974666
"100255"	157.008463	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-H+Cl"	33.962126
"540908"	227.022163	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-H+Cl"	33.962126
"930047"	86.994763	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+Cl"	33.962126
"269334"	315.024202	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Cl"	34.969402
"667586"	455.051602	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Cl"	34.969402
"1279262"	174.996802	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl"	34.969402
"20725"	317.003406	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+K"	36.948606
"464299"	457.030806	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+K"	36.948606
"834566"	176.976006	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+K"	36.948606
"1557080"	176.976006	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K-2H"	36.948606
"945814"	185.025594	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+HCOOH"	44.998194
"367308"	325.053001	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+HCOOH-H"	44.998201
"350099"	339.068651	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Hac-H"	59.013851
"1495291"	199.041251	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Hac-H"	59.013851
"960644"	207.007551	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+NaCOOH"	66.980151
"114658"	174.996802	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Cl"	69.938804
"554218"	245.010502	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Cl"	69.938804
"1030307"	104.983102	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Cl"	69.938804
"1254260"	218.946285	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Br"	78.918885
"1319788"	221.002272	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+HCOOH"	80.974872
"1330924"	242.984229	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+NaCOOH"	102.956829
"923075"	253.012986	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+CF3COOH"	112.985586
"1303431"	288.989664	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+CF3COOH"	148.962264
"1380862"	105.014724	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H-2H2O"	-35.012676
"1397994"	123.0247	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H-H2O"	-17.0027
"298392"	281.062076	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H"	1.007276
"690917"	421.089476	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H"	1.007276
"1361715"	141.034676	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H"	1.007276
"141131"	141.034676	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2H"	2.014552
"576355"	211.048376	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2H"	2.014552
"1041143"	71.020976	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2H"	2.014552
"213054"	94.358876	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+3H"	3.021828
"653708"	141.034676	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+3H"	3.021828
"1171833"	47.683076	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3H"	3.021828
"432920"	298.088623	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+NH4"	18.033823
"788447"	438.116023	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+NH4"	18.033823
"1684048"	158.061223	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4"	18.033823
"335614"	149.5479495	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+NH4"	19.041099
"724757"	219.5616495	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+NH4"	19.041099
"1482590"	79.5342495	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+NH4"	19.041099
"395071"	303.044018	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Na"	22.989218
"760077"	443.071418	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Na"	22.989218
"1605258"	163.016618	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na"	22.989218
"324779"	152.025647	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+Na"	23.996494
"710636"	222.039347	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+Na"	23.996494
"1462510"	82.011947	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+Na"	23.996494
"1058796"	55.01039	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2H+Na"	25.00377
"1261572"	173.060886	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+CH3OH+H"	33.033486
"377507"	319.017958	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+K"	38.963158
"746609"	459.045358	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+K"	38.963158
"1543557"	178.990558	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K"	38.963158
"301826"	160.012617	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+K"	39.970434
"698261"	230.026317	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+K"	39.970434
"1454271"	89.998917	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+K"	39.970434
"248340"	322.088626	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+ACN+H"	42.033826
"1219954"	182.061226	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+H"	42.033826
"1209436"	91.534251	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+2H"	43.041102
"202914"	325.02596	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Na-H"	44.97116
"643082"	465.05336	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Na-H"	44.97116
"1145247"	184.99856	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Na-H"	44.97116
"184167"	163.016618	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Na"	45.978436
"622633"	233.030318	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Na"	45.978436
"1127232"	93.002918	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Na"	45.978436
"1406379"	62.337704	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+2Na"	46.985712
"1435213"	187.040146	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+HCOOH"	47.012746
"224541"	168.04964	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+3H2O+2H"	56.04448
"1515156"	201.09219	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+IsoProp+H"	61.06479
"415934"	171.003588	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Na+K"	61.952376
"779116"	241.017288	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Na+K"	61.952376
"1676540"	100.989888	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+K"	61.952376
"267087"	344.070568	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+ACN+Na"	64.015768
"1241239"	204.043168	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+Na"	64.015768
"1726840"	204.066693	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4+HCOOH"	64.039293
"1191832"	69.665018	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3Na"	68.967654
"1662091"	209.022088	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+HCOOH"	68.994688
"169318"	356.97384	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2K-H"	76.91904
"606692"	497.00124	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2K-H"	76.91904
"1085493"	216.94644	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K-H"	76.91904
"147654"	178.990558	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2K"	77.926316
"587216"	249.004258	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2K"	77.926316
"1076104"	108.976858	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K"	77.926316
"1104946"	218.960992	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K+H"	78.933592
"1339143"	219.048607	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+DMSO+H"	79.021207
"1013141"	223.087776	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2ACN+H"	83.060376
"1533456"	224.081408	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+IsoProp+Na+H"	84.054008
"997718"	112.047526	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2ACN+2H"	84.067652
"1596592"	224.996028	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K+HCOOH"	84.968628
"1420068"	255.027538	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+CF3COOH"	115.000138
"1151452"	132.560801	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3ACN+2H"	125.094202
"1703193"	272.054085	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4+CF3COOH"	132.026685
"1649418"	277.00948	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+CF3COOH"	136.98208
"1585429"	292.98342	"C02364"	"3-Fluorobenzoate;3-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K+CF3COOH"	152.95602
"805954"	147.0684	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M"	0
"974379"	128.05001	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-H2O-H"	-19.01839
"72106"	97.038324	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M-3H"	-3.021828
"507292"	146.061124	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M-3H"	-3.021828
"879967"	48.015524	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-3H"	-3.021828
"870"	146.061124	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M-2H"	-2.014552
"442503"	219.595324	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M-2H"	-2.014552
"819940"	72.526924	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-2H"	-2.014552
"83214"	293.129524	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M-H"	-1.007276
"520221"	440.197924	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M-H"	-1.007276
"899481"	146.061124	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-H"	-1.007276
"49116"	310.156071	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M-2H+NH4"	16.019271
"487584"	457.224471	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M-2H+NH4"	16.019271
"864262"	163.087671	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-2H+NH4"	16.019271
"34748"	315.111466	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M-2H+Na"	20.974666
"471486"	462.179866	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M-2H+Na"	20.974666
"848696"	168.043066	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-2H+Na"	20.974666
"1622379"	168.043066	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Na-2H"	20.974666
"97085"	164.049463	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M-H+Cl"	33.962126
"541018"	237.583663	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M-H+Cl"	33.962126
"929065"	90.515263	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-H+Cl"	33.962126
"268716"	329.106202	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+Cl"	34.969402
"666603"	476.174602	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+Cl"	34.969402
"1279008"	182.037802	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Cl"	34.969402
"18284"	331.085406	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M-2H+K"	36.948606
"464409"	478.153806	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M-2H+K"	36.948606
"834556"	184.017006	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-2H+K"	36.948606
"1558043"	184.017006	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+K-2H"	36.948606
"947017"	192.066594	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-H+HCOOH"	44.998194
"365232"	339.135001	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+HCOOH-H"	44.998201
"346930"	353.150651	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+Hac-H"	59.013851
"1496494"	206.082251	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Hac-H"	59.013851
"960390"	214.048551	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-H+NaCOOH"	66.980151
"111487"	182.037802	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+2Cl"	69.938804
"551776"	255.572002	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+2Cl"	69.938804
"1030417"	108.503602	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2Cl"	69.938804
"1251090"	225.987285	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Br"	78.918885
"1319005"	228.043272	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Cl+HCOOH"	80.974872
"1331034"	250.025229	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Cl+NaCOOH"	102.956829
"923185"	260.053986	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M-H+CF3COOH"	112.985586
"1302813"	296.030664	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Cl+CF3COOH"	148.962264
"1379879"	112.055724	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H-2H2O"	-35.012676
"1394458"	130.0657	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H-H2O"	-17.0027
"296699"	295.144076	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+H"	1.007276
"686569"	442.212476	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+H"	1.007276
"1359637"	148.075676	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H"	1.007276
"138725"	148.075676	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+2H"	2.014552
"573184"	221.609876	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+2H"	2.014552
"1040162"	74.541476	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2H"	2.014552
"212071"	99.052876	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+3H"	3.021828
"653817"	148.075676	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+3H"	3.021828
"1168663"	50.030076	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+3H"	3.021828
"433028"	312.170623	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+NH4"	18.033823
"788558"	459.239023	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+NH4"	18.033823
"1684159"	165.102223	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+NH4"	18.033823
"331715"	156.5889495	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+H+NH4"	19.041099
"724379"	230.1231495	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+H+NH4"	19.041099
"1478690"	83.0547495	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H+NH4"	19.041099
"394450"	317.126018	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+Na"	22.989218
"756907"	464.194418	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+Na"	22.989218
"1603421"	170.057618	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Na"	22.989218
"324889"	159.066647	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+H+Na"	23.996494
"710746"	232.600847	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+H+Na"	23.996494
"1461406"	85.532447	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H+Na"	23.996494
"1058176"	57.35739	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2H+Na"	25.00377
"1257246"	180.101886	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+CH3OH+H"	33.033486
"377243"	333.099958	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+K"	38.963158
"747813"	480.168358	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+K"	38.963158
"1543303"	186.031558	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+K"	38.963158
"303759"	167.053617	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+H+K"	39.970434
"699464"	240.587817	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+H+K"	39.970434
"1455474"	93.519417	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H+K"	39.970434
"247356"	336.170626	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+ACN+H"	42.033826
"1218970"	189.102226	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+ACN+H"	42.033826
"1207963"	95.054751	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+ACN+2H"	43.041102
"202294"	339.10796	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+2Na-H"	44.97116
"643312"	486.17636	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+2Na-H"	44.97116
"1145357"	192.03956	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2Na-H"	44.97116
"182090"	170.057618	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+2Na"	45.978436
"623836"	243.591818	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+2Na"	45.978436
"1125154"	96.523418	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2Na"	45.978436
"1407582"	64.684704	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H+2Na"	46.985712
"1432407"	194.081146	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H+HCOOH"	47.012746
"223923"	175.09064	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+3H2O+2H"	56.04448
"1514173"	208.13319	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+IsoProp+H"	61.06479
"414950"	178.044588	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+Na+K"	61.952376
"777039"	251.578788	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+Na+K"	61.952376
"1677742"	104.510388	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Na+K"	61.952376
"265723"	358.152568	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+ACN+Na"	64.015768
"1241285"	211.084168	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+ACN+Na"	64.015768
"1724038"	211.107693	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+NH4+HCOOH"	64.039293
"1190850"	72.012018	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+3Na"	68.967654
"1661837"	216.063088	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Na+HCOOH"	68.994688
"165784"	371.05584	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+2K-H"	76.91904
"606802"	518.12424	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+2K-H"	76.91904
"1085847"	223.98744	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2K-H"	76.91904
"146672"	186.031558	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"2M+2K"	77.926316
"587326"	259.565758	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"3M+2K"	77.926316
"1076215"	112.497358	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2K"	77.926316
"1100426"	226.001992	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2K+H"	78.933592
"1338156"	226.089607	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+DMSO+H"	79.021207
"1013251"	230.128776	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2ACN+H"	83.060376
"1535752"	231.122408	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+IsoProp+Na+H"	84.054008
"1001108"	115.568026	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+2ACN+2H"	84.067652
"1595610"	232.037028	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+K+HCOOH"	84.968628
"1423459"	262.068538	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+H+CF3COOH"	115.000138
"1157029"	136.081301	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+3ACN+2H"	125.094202
"1709863"	279.095085	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+NH4+CF3COOH"	132.026685
"1649528"	284.05048	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+Na+CF3COOH"	136.98208
"1585539"	300.02442	"C02366"	"3-Methyloxindole;13-Dihydro-3-methyl-2H-indol-2-one"	"C9H9NO"	"147.0684"	"M+K+CF3COOH"	152.95602
"806064"	214.1569	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M"	0
"979596"	195.13851	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-H2O-H"	-19.01839
"72216"	141.763990666667	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M-3H"	-3.021828
"505215"	213.149624	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M-3H"	-3.021828
"883013"	70.3783573333333	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-3H"	-3.021828
"2316"	213.149624	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M-2H"	-2.014552
"442249"	320.228074	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M-2H"	-2.014552
"821144"	106.071174	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-2H"	-2.014552
"83324"	427.306524	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M-H"	-1.007276
"521061"	641.463424	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M-H"	-1.007276
"899227"	213.149624	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-H"	-1.007276
"51049"	444.333071	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M-2H+NH4"	16.019271
"488421"	658.489971	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M-2H+NH4"	16.019271
"865252"	230.176171	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-2H+NH4"	16.019271
"34494"	449.288466	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M-2H+Na"	20.974666
"472025"	663.445366	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M-2H+Na"	20.974666
"848891"	235.131566	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-2H+Na"	20.974666
"1625041"	235.131566	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Na-2H"	20.974666
"100475"	231.137963	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M-H+Cl"	33.962126
"538942"	338.216413	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M-H+Cl"	33.962126
"928082"	124.059513	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-H+Cl"	33.962126
"267408"	463.283202	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+Cl"	34.969402
"663434"	677.440102	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+Cl"	34.969402
"1278025"	249.126302	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Cl"	34.969402
"18394"	465.262406	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M-2H+K"	36.948606
"461239"	679.419306	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M-2H+K"	36.948606
"833574"	251.105506	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-2H+K"	36.948606
"1557060"	251.105506	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+K-2H"	36.948606
"944213"	259.155094	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-H+HCOOH"	44.998194
"364250"	473.312001	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+HCOOH-H"	44.998201
"347040"	487.327651	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+Hac-H"	59.013851
"1494417"	273.170751	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Hac-H"	59.013851
"959040"	281.137051	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-H+NaCOOH"	66.980151
"111597"	249.126302	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+2Cl"	69.938804
"550791"	356.204752	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+2Cl"	69.938804
"1025060"	142.047852	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2Cl"	69.938804
"1243546"	293.075785	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Br"	78.918885
"1313648"	295.131772	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Cl+HCOOH"	80.974872
"1320086"	317.113729	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Cl+NaCOOH"	102.956829
"916734"	327.142486	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M-H+CF3COOH"	112.985586
"1297817"	363.119164	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Cl+CF3COOH"	148.962264
"1378166"	179.144224	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H-2H2O"	-35.012676
"1392381"	197.1542	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H-H2O"	-17.0027
"294987"	429.321076	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+H"	1.007276
"681212"	643.477976	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+H"	1.007276
"1359749"	215.164176	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H"	1.007276
"138107"	215.164176	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+2H"	2.014552
"571107"	322.242626	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+2H"	2.014552
"1038449"	108.085726	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2H"	2.014552
"211089"	143.778542666667	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+3H"	3.021828
"652838"	215.164176	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+3H"	3.021828
"1169867"	72.3929093333333	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+3H"	3.021828
"430953"	446.347623	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+NH4"	18.033823
"787573"	660.504523	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+NH4"	18.033823
"1683907"	232.190723	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+NH4"	18.033823
"331825"	223.6774495	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+H+NH4"	19.041099
"722855"	330.7558995	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+H+NH4"	19.041099
"1480624"	116.5989995	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H+NH4"	19.041099
"393469"	451.303018	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+Na"	22.989218
"755924"	665.459918	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+Na"	22.989218
"1602894"	237.146118	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Na"	22.989218
"325000"	226.155147	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+H+Na"	23.996494
"715231"	333.233597	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+H+Na"	23.996494
"1464676"	119.076697	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H+Na"	23.996494
"1056829"	79.7202233333333	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2H+Na"	25.00377
"1259964"	247.190386	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+CH3OH+H"	33.033486
"377188"	467.276958	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+K"	38.963158
"739244"	681.433858	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+K"	38.963158
"1541954"	253.120058	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+K"	38.963158
"303869"	234.142117	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+H+K"	39.970434
"694465"	341.220567	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+H+K"	39.970434
"1457770"	127.063667	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H+K"	39.970434
"249655"	470.347626	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+ACN+H"	42.033826
"1223090"	256.190726	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+ACN+H"	42.033826
"1209697"	128.599001	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+ACN+2H"	43.041102
"203740"	473.28496	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+2Na-H"	44.97116
"640869"	687.44186	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+2Na-H"	44.97116
"1138907"	259.12806	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2Na-H"	44.97116
"185845"	237.146118	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+2Na"	45.978436
"622853"	344.224568	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+2Na"	45.978436
"1123807"	130.067668	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2Na"	45.978436
"1405141"	87.0475373333333	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H+2Na"	46.985712
"1434340"	261.169646	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H+HCOOH"	47.012746
"224034"	242.17914	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+3H2O+2H"	56.04448
"1514283"	275.22169	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+IsoProp+H"	61.06479
"417250"	245.133088	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+Na+K"	61.952376
"779336"	352.211538	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+Na+K"	61.952376
"1677856"	138.054638	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Na+K"	61.952376
"264375"	492.329568	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+ACN+Na"	64.015768
"1240732"	278.172668	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+ACN+Na"	64.015768
"1725243"	278.196193	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+NH4+HCOOH"	64.039293
"1189138"	94.3748513333333	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+3Na"	68.967654
"1661950"	283.151588	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Na+HCOOH"	68.994688
"163708"	505.23284	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+2K-H"	76.91904
"605090"	719.38974	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+2K-H"	76.91904
"1089967"	291.07594	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2K-H"	76.91904
"148605"	253.120058	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"2M+2K"	77.926316
"587075"	360.198508	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"3M+2K"	77.926316
"1075961"	146.041608	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2K"	77.926316
"1100047"	293.090492	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2K+H"	78.933592
"1338630"	293.178107	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+DMSO+H"	79.021207
"1013361"	297.217276	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2ACN+H"	83.060376
"1535862"	298.210908	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+IsoProp+Na+H"	84.054008
"1003283"	149.112276	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+2ACN+2H"	84.067652
"1597906"	299.125528	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+K+HCOOH"	84.968628
"1424662"	329.157038	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+H+CF3COOH"	115.000138
"1158232"	169.625551	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+3ACN+2H"	125.094202
"1711796"	346.183585	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+NH4+CF3COOH"	132.026685
"1648545"	351.13898	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+Na+CF3COOH"	136.98208
"1585649"	367.11292	"C02367"	"3-Oxododecanoic acid;3-Oxododecanoate"	"C12H22O3"	"214.1569"	"M+K+CF3COOH"	152.95602
"806174"	155.9978	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M"	0
"974719"	136.97941	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H2O-H"	-19.01839
"72326"	102.991257333333	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-3H"	-3.021828
"506418"	154.990524	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-3H"	-3.021828
"881422"	50.9919906666667	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-3H"	-3.021828
"1819"	154.990524	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H"	-2.014552
"441266"	232.989424	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H"	-2.014552
"822713"	76.991624	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H"	-2.014552
"84528"	310.988324	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-H"	-1.007276
"521535"	466.986124	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-H"	-1.007276
"899337"	154.990524	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H"	-1.007276
"52982"	328.014871	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H+NH4"	16.019271
"488896"	484.012671	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H+NH4"	16.019271
"865116"	172.017071	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H+NH4"	16.019271
"32781"	332.970266	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H+Na"	20.974666
"471809"	488.968066	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H+Na"	20.974666
"849001"	176.972466	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H+Na"	20.974666
"1621871"	176.972466	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na-2H"	20.974666
"97305"	172.978863	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-H+Cl"	33.962126
"539052"	250.977763	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-H+Cl"	33.962126
"927705"	94.979963	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+Cl"	33.962126
"268693"	346.965002	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Cl"	34.969402
"662450"	502.962802	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+Cl"	34.969402
"1275948"	190.967202	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl"	34.969402
"19597"	348.944206	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M-2H+K"	36.948606
"460255"	504.942006	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M-2H+K"	36.948606
"834776"	192.946406	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-2H+K"	36.948606
"1556439"	192.946406	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K-2H"	36.948606
"946144"	200.995994	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+HCOOH"	44.998194
"365450"	356.993801	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+HCOOH-H"	44.998201
"346258"	371.009451	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Hac-H"	59.013851
"1492984"	215.011651	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Hac-H"	59.013851
"958562"	222.977951	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+NaCOOH"	66.980151
"110118"	190.967202	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2Cl"	69.938804
"550047"	268.966102	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2Cl"	69.938804
"1023346"	112.968302	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2Cl"	69.938804
"1241351"	234.916685	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Br"	78.918885
"1304642"	236.972672	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl+HCOOH"	80.974872
"1320562"	258.954629	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl+NaCOOH"	102.956829
"912100"	268.983386	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M-H+CF3COOH"	112.985586
"1292461"	304.960064	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Cl+CF3COOH"	148.962264
"1371717"	120.985124	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H-2H2O"	-35.012676
"1389212"	138.9951	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H-H2O"	-17.0027
"287807"	313.002876	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H"	1.007276
"677312"	469.000676	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H"	1.007276
"1357676"	157.005076	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H"	1.007276
"134938"	157.005076	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2H"	2.014552
"570124"	235.003976	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2H"	2.014552
"1037343"	79.006176	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2H"	2.014552
"204756"	105.005809333333	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+3H"	3.021828
"645290"	157.005076	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+3H"	3.021828
"1164511"	53.0065426666667	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+3H"	3.021828
"426690"	330.029423	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+NH4"	18.033823
"786589"	486.027223	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+NH4"	18.033823
"1684012"	174.031623	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+NH4"	18.033823
"336672"	165.5183495	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H+NH4"	19.041099
"724845"	243.5172495	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H+NH4"	19.041099
"1481822"	87.5194495	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+NH4"	19.041099
"396130"	334.984818	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Na"	22.989218
"757127"	490.982618	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+Na"	22.989218
"1603521"	178.987018	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na"	22.989218
"325110"	167.996047	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H+Na"	23.996494
"714977"	245.994947	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H+Na"	23.996494
"1464786"	89.997147	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+Na"	23.996494
"1053045"	60.3338566666667	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2H+Na"	25.00377
"1257522"	189.031286	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+CH3OH+H"	33.033486
"378646"	350.958758	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+K"	38.963158
"741464"	506.956558	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+K"	38.963158
"1541330"	194.960958	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K"	38.963158
"299600"	175.983017	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+H+K"	39.970434
"697126"	253.981917	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+H+K"	39.970434
"1453503"	97.984117	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+K"	39.970434
"247577"	354.029426	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+ACN+H"	42.033826
"1222106"	198.031626	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+ACN+H"	42.033826
"1209035"	99.519451	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+ACN+2H"	43.041102
"203485"	356.96676	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2Na-H"	44.97116
"638790"	512.96456	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2Na-H"	44.97116
"1142293"	200.96896	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2Na-H"	44.97116
"182307"	178.987018	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2Na"	45.978436
"620771"	256.985918	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2Na"	45.978436
"1125006"	100.988118	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2Na"	45.978436
"1403428"	67.6611706666667	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+2Na"	46.985712
"1434450"	203.010546	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+HCOOH"	47.012746
"221592"	184.02004	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+3H2O+2H"	56.04448
"1513300"	217.06259	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+IsoProp+H"	61.06479
"415539"	186.973988	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+Na+K"	61.952376
"776166"	264.972888	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+Na+K"	61.952376
"1675776"	108.975088	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na+K"	61.952376
"262299"	376.011368	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+ACN+Na"	64.015768
"1239018"	220.013568	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+ACN+Na"	64.015768
"1725719"	220.037093	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+NH4+HCOOH"	64.039293
"1188158"	74.9884846666667	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+3Na"	68.967654
"1662060"	224.992488	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na+HCOOH"	68.994688
"166369"	388.91464	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2K-H"	76.91904
"604472"	544.91244	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2K-H"	76.91904
"1091899"	232.91684	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2K-H"	76.91904
"146897"	194.960958	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"2M+2K"	77.926316
"589008"	272.959858	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"3M+2K"	77.926316
"1076438"	116.962058	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2K"	77.926316
"1101134"	234.931392	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2K+H"	78.933592
"1336551"	235.019007	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+DMSO+H"	79.021207
"1013471"	239.058176	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2ACN+H"	83.060376
"1532691"	240.051808	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+IsoProp+Na+H"	84.054008
"996951"	120.032726	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+2ACN+2H"	84.067652
"1594736"	240.966428	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K+HCOOH"	84.968628
"1426962"	270.997938	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+H+CF3COOH"	115.000138
"1158343"	140.546001	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+3ACN+2H"	125.094202
"1712514"	288.024485	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+NH4+CF3COOH"	132.026685
"1639172"	292.97988	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+Na+CF3COOH"	136.98208
"1585759"	308.95382	"C02370"	"4-Chlorobenzoate;4-Chlorobenzoic acid"	"C7H5ClO2"	"155.9978"	"M+K+CF3COOH"	152.95602
"812845"	140.0274	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M"	0
"977630"	121.00901	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H2O-H"	-19.01839
"78030"	92.344324	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-3H"	-3.021828
"514182"	139.020124	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-3H"	-3.021828
"889797"	45.668524	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-3H"	-3.021828
"3265"	139.020124	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H"	-2.014552
"449030"	209.033824	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H"	-2.014552
"827927"	69.006424	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H"	-2.014552
"85731"	279.047524	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-H"	-1.007276
"523831"	419.074924	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-H"	-1.007276
"900905"	139.020124	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H"	-1.007276
"55280"	296.074071	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+NH4"	16.019271
"489128"	436.101471	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+NH4"	16.019271
"866439"	156.046671	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+NH4"	16.019271
"32526"	301.029466	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+Na"	20.974666
"473297"	441.056866	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+Na"	20.974666
"850003"	161.002066	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+Na"	20.974666
"1628542"	161.002066	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na-2H"	20.974666
"98509"	157.008463	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-H+Cl"	33.962126
"539164"	227.022163	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-H+Cl"	33.962126
"932677"	86.994763	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+Cl"	33.962126
"273422"	315.024202	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Cl"	34.969402
"665841"	455.051602	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Cl"	34.969402
"1277152"	174.996802	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl"	34.969402
"18616"	317.003406	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M-2H+K"	36.948606
"463647"	457.030806	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M-2H+K"	36.948606
"834887"	176.976006	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-2H+K"	36.948606
"1557279"	176.976006	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K-2H"	36.948606
"945160"	185.025594	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+HCOOH"	44.998194
"363376"	325.053001	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+HCOOH-H"	44.998201
"347263"	339.068651	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Hac-H"	59.013851
"1496097"	199.041251	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Hac-H"	59.013851
"958773"	207.007551	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+NaCOOH"	66.980151
"111570"	174.996802	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Cl"	69.938804
"551376"	245.010502	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Cl"	69.938804
"1022239"	104.983102	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Cl"	69.938804
"1242304"	218.946285	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Br"	78.918885
"1306212"	221.002272	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+HCOOH"	80.974872
"1322614"	242.984229	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+NaCOOH"	102.956829
"912579"	253.012986	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M-H+CF3COOH"	112.985586
"1289289"	288.989664	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Cl+CF3COOH"	148.962264
"1368058"	105.014724	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H-2H2O"	-35.012676
"1387135"	123.0247	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H-H2O"	-17.0027
"287917"	281.062076	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H"	1.007276
"685804"	421.089476	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H"	1.007276
"1354139"	141.034676	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H"	1.007276
"136141"	141.034676	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2H"	2.014552
"571327"	211.048376	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2H"	2.014552
"1039034"	71.020976	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2H"	2.014552
"206204"	94.358876	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+3H"	3.021828
"646857"	141.034676	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+3H"	3.021828
"1165709"	47.683076	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3H"	3.021828
"427528"	298.088623	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+NH4"	18.033823
"786698"	438.116023	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+NH4"	18.033823
"1683028"	158.061223	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4"	18.033823
"335689"	149.5479495	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+NH4"	19.041099
"730303"	219.5616495	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+NH4"	19.041099
"1481932"	79.5342495	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+NH4"	19.041099
"394419"	303.044018	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Na"	22.989218
"758330"	443.071418	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Na"	22.989218
"1604968"	163.016618	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na"	22.989218
"325220"	152.025647	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+Na"	23.996494
"716910"	222.039347	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+Na"	23.996494
"1464896"	82.011947	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+Na"	23.996494
"1054131"	55.01039	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2H+Na"	25.00377
"1259819"	173.060886	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+CH3OH+H"	33.033486
"379849"	319.017958	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+K"	38.963158
"742667"	459.045358	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+K"	38.963158
"1545452"	178.990558	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K"	38.963158
"302627"	160.012617	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+H+K"	39.970434
"699789"	230.026317	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+H+K"	39.970434
"1453615"	89.998917	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+K"	39.970434
"245500"	322.088626	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+ACN+H"	42.033826
"1220394"	182.061226	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+H"	42.033826
"1205378"	91.534251	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+2H"	43.041102
"199341"	325.02596	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Na-H"	44.97116
"638898"	465.05336	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Na-H"	44.97116
"1139123"	184.99856	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Na-H"	44.97116
"181325"	163.016618	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2Na"	45.978436
"624166"	233.030318	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2Na"	45.978436
"1124026"	93.002918	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2Na"	45.978436
"1407913"	62.337704	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+2Na"	46.985712
"1434561"	187.040146	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+HCOOH"	47.012746
"223526"	168.04964	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+3H2O+2H"	56.04448
"1513411"	201.09219	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+IsoProp+H"	61.06479
"417470"	171.003588	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+Na+K"	61.952376
"775183"	241.017288	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+Na+K"	61.952376
"1672605"	100.989888	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+K"	61.952376
"262773"	344.070568	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+ACN+Na"	64.015768
"1236939"	204.043168	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+ACN+Na"	64.015768
"1723641"	204.066693	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4+HCOOH"	64.039293
"1189725"	69.665018	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3Na"	68.967654
"1661807"	209.022088	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+HCOOH"	68.994688
"167939"	356.97384	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2K-H"	76.91904
"605677"	497.00124	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2K-H"	76.91904
"1090190"	216.94644	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K-H"	76.91904
"150284"	178.990558	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"2M+2K"	77.926316
"588389"	249.004258	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"3M+2K"	77.926316
"1075454"	108.976858	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K"	77.926316
"1100514"	218.960992	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2K+H"	78.933592
"1336539"	219.048607	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+DMSO+H"	79.021207
"1012488"	223.087776	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2ACN+H"	83.060376
"1531708"	224.081408	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+IsoProp+Na+H"	84.054008
"994875"	112.047526	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+2ACN+2H"	84.067652
"1593753"	224.996028	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K+HCOOH"	84.968628
"1427072"	255.027538	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+H+CF3COOH"	115.000138
"1158453"	132.560801	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+3ACN+2H"	125.094202
"1711895"	272.054085	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+NH4+CF3COOH"	132.026685
"1639282"	277.00948	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+Na+CF3COOH"	136.98208
"1585869"	292.98342	"C02371"	"4-Fluorobenzoate;4-Fluorobenzoic acid"	"C7H5FO2"	"140.0274"	"M+K+CF3COOH"	152.95602
"803114"	109.0528	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M"	0
"974457"	90.03441	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-H2O-H"	-19.01839
"73639"	71.6945906666667	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M-3H"	-3.021828
"508824"	108.045524	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M-3H"	-3.021828
"888814"	35.3436573333333	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-3H"	-3.021828
"461"	108.045524	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M-2H"	-2.014552
"450234"	162.571924	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M-2H"	-2.014552
"828037"	53.519124	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-2H"	-2.014552
"85841"	217.098324	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M-H"	-1.007276
"523214"	326.151124	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M-H"	-1.007276
"901017"	108.045524	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-H"	-1.007276
"57577"	234.124871	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M-2H+NH4"	16.019271
"490211"	343.177671	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M-2H+NH4"	16.019271
"865700"	125.072071	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-2H+NH4"	16.019271
"33000"	239.080266	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M-2H+Na"	20.974666
"472557"	348.133066	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M-2H+Na"	20.974666
"849992"	130.027466	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-2H+Na"	20.974666
"1633554"	130.027466	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Na-2H"	20.974666
"101899"	126.033863	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M-H+Cl"	33.962126
"544741"	180.560263	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M-H+Cl"	33.962126
"932787"	71.507463	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-H+Cl"	33.962126
"273532"	253.075002	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+Cl"	34.969402
"668138"	362.127802	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+Cl"	34.969402
"1279449"	144.022202	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Cl"	34.969402
"17751"	255.054206	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M-2H+K"	36.948606
"463757"	364.107006	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M-2H+K"	36.948606
"834267"	146.001406	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-2H+K"	36.948606
"1558117"	146.001406	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+K-2H"	36.948606
"944177"	154.050994	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-H+HCOOH"	44.998194
"363121"	263.103801	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+HCOOH-H"	44.998201
"347737"	277.119451	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+Hac-H"	59.013851
"1496571"	168.066651	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Hac-H"	59.013851
"960100"	176.032951	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-H+NaCOOH"	66.980151
"110626"	144.022202	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+2Cl"	69.938804
"551850"	198.548602	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+2Cl"	69.938804
"1023566"	89.495802	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2Cl"	69.938804
"1242049"	187.971685	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Br"	78.918885
"1305594"	190.027672	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Cl+HCOOH"	80.974872
"1320537"	212.009629	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Cl+NaCOOH"	102.956829
"912688"	222.038386	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M-H+CF3COOH"	112.985586
"1290855"	258.015064	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Cl+CF3COOH"	148.962264
"1367196"	74.040124	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H-2H2O"	-35.012676
"1383965"	92.0501	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H-H2O"	-17.0027
"284744"	219.112876	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+H"	1.007276
"676153"	328.165676	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+H"	1.007276
"1354977"	110.060076	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H"	1.007276
"132972"	110.060076	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+2H"	2.014552
"568521"	164.586476	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+2H"	2.014552
"1038414"	55.533676	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2H"	2.014552
"205584"	73.7091426666667	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+3H"	3.021828
"646237"	110.060076	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+3H"	3.021828
"1162944"	37.3582093333333	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+3H"	3.021828
"426907"	236.139423	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+NH4"	18.033823
"785956"	345.192223	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+NH4"	18.033823
"1681450"	127.086623	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+NH4"	18.033823
"335070"	118.5733495	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+H+NH4"	19.041099
"725065"	173.0997495	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+H+NH4"	19.041099
"1479126"	64.0469495	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H+NH4"	19.041099
"394164"	241.094818	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+Na"	22.989218
"756254"	350.147618	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+Na"	22.989218
"1603983"	132.042018	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Na"	22.989218
"325328"	121.051047	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+H+Na"	23.996494
"715561"	175.577447	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+H+Na"	23.996494
"1462089"	66.524647	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H+Na"	23.996494
"1053997"	44.6855233333333	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2H+Na"	25.00377
"1257860"	142.086286	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+CH3OH+H"	33.033486
"379230"	257.068758	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+K"	38.963158
"740590"	366.121558	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+K"	38.963158
"1541550"	148.015958	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+K"	38.963158
"299820"	129.038017	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+H+K"	39.970434
"696984"	183.564417	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+H+K"	39.970434
"1450445"	74.511617	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H+K"	39.970434
"246702"	260.139426	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+ACN+H"	42.033826
"1219410"	151.086626	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+ACN+H"	42.033826
"1205487"	76.046951	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+ACN+2H"	43.041102
"200544"	263.07676	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+2Na-H"	44.97116
"640101"	372.12956	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+2Na-H"	44.97116
"1137046"	154.02396	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2Na-H"	44.97116
"181435"	132.042018	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+2Na"	45.978436
"625004"	186.568418	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+2Na"	45.978436
"1126686"	77.515618	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2Na"	45.978436
"1410208"	52.0128373333333	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H+2Na"	46.985712
"1432485"	156.065546	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H+HCOOH"	47.012746
"222543"	137.07504	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+3H2O+2H"	56.04448
"1515708"	170.11759	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+IsoProp+H"	61.06479
"415394"	140.028988	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+Na+K"	61.952376
"772013"	194.555388	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+Na+K"	61.952376
"1670529"	85.502588	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Na+K"	61.952376
"263611"	282.121368	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+ACN+Na"	64.015768
"1237779"	173.068568	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+ACN+Na"	64.015768
"1726667"	173.092093	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+NH4+HCOOH"	64.039293
"1189469"	59.3401513333333	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+3Na"	68.967654
"1663737"	178.047488	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Na+HCOOH"	68.994688
"169507"	295.02464	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+2K-H"	76.91904
"606882"	404.07744	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+2K-H"	76.91904
"1089207"	185.97184	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2K-H"	76.91904
"149301"	148.015958	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"2M+2K"	77.926316
"587770"	202.542358	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"3M+2K"	77.926316
"1075562"	93.489558	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2K"	77.926316
"1100260"	187.986392	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2K+H"	78.933592
"1336038"	188.074007	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+DMSO+H"	79.021207
"1010776"	192.113176	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2ACN+H"	83.060376
"1531819"	193.106808	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+IsoProp+Na+H"	84.054008
"994986"	96.560226	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+2ACN+2H"	84.067652
"1593864"	194.021428	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+K+HCOOH"	84.968628
"1427182"	224.052938	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+H+CF3COOH"	115.000138
"1156376"	117.073501	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+3ACN+2H"	125.094202
"1710304"	241.079485	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+NH4+CF3COOH"	132.026685
"1641579"	246.03488	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+Na+CF3COOH"	136.98208
"1585979"	262.00882	"C02372"	"4-Hydroxyaniline;4-Aminophenol;p-Aminophenol;4-Aminobenzenol"	"C6H7NO"	"109.0528"	"M+K+CF3COOH"	152.95602
"806504"	100.0888	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M"	0
"974690"	81.07041	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-H2O-H"	-19.01839
"65001"	65.7185906666667	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M-3H"	-3.021828
"502930"	99.081524	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M-3H"	-3.021828
"881267"	32.3556573333333	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-3H"	-3.021828
"2029"	99.081524	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M-2H"	-2.014552
"449251"	149.125924	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M-2H"	-2.014552
"825961"	49.037124	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-2H"	-2.014552
"85951"	199.170324	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M-H"	-1.007276
"523324"	299.259124	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M-H"	-1.007276
"898211"	99.081524	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-H"	-1.007276
"52220"	216.196871	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M-2H+NH4"	16.019271
"490688"	316.285671	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M-2H+NH4"	16.019271
"864960"	116.108071	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-2H+NH4"	16.019271
"33839"	221.152266	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M-2H+Na"	20.974666
"471935"	321.241066	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M-2H+Na"	20.974666
"848885"	121.063466	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-2H+Na"	20.974666
"1630949"	121.063466	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Na-2H"	20.974666
"102009"	117.069863	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M-H+Cl"	33.962126
"544851"	167.114263	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M-H+Cl"	33.962126
"932897"	67.025463	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-H+Cl"	33.962126
"269024"	235.147002	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+Cl"	34.969402
"666061"	335.235802	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+Cl"	34.969402
"1277371"	135.058202	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Cl"	34.969402
"21021"	237.126206	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M-2H+K"	36.948606
"461680"	337.215006	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M-2H+K"	36.948606
"832956"	137.037406	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-2H+K"	36.948606
"1557134"	137.037406	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+K-2H"	36.948606
"943559"	145.086994	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-H+HCOOH"	44.998194
"361771"	245.175801	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+HCOOH-H"	44.998201
"347483"	259.191451	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+Hac-H"	59.013851
"1494857"	159.102651	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Hac-H"	59.013851
"958912"	167.068951	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-H+NaCOOH"	66.980151
"110331"	135.058202	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+2Cl"	69.938804
"550989"	185.102602	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+2Cl"	69.938804
"1023312"	85.013802	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2Cl"	69.938804
"1242888"	179.007685	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Br"	78.918885
"1304485"	181.063672	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Cl+HCOOH"	80.974872
"1323926"	203.045629	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Cl+NaCOOH"	102.956829
"914984"	213.074386	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M-H+CF3COOH"	112.985586
"1290964"	249.051064	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Cl+CF3COOH"	148.962264
"1370950"	65.076124	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H-2H2O"	-35.012676
"1386258"	83.0861	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H-H2O"	-17.0027
"283151"	201.184876	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+H"	1.007276
"676909"	301.273676	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+H"	1.007276
"1360191"	101.096076	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H"	1.007276
"134175"	101.096076	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+2H"	2.014552
"570454"	151.140476	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+2H"	2.014552
"1040350"	51.051676	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2H"	2.014552
"204843"	67.7331426666667	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+3H"	3.021828
"645617"	101.096076	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+3H"	3.021828
"1163054"	34.3702093333333	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+3H"	3.021828
"428108"	218.211423	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+NH4"	18.033823
"785904"	318.300223	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+NH4"	18.033823
"1682154"	118.122623	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+NH4"	18.033823
"332994"	109.6093495	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+H+NH4"	19.041099
"724447"	159.6537495	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+H+NH4"	19.041099
"1480330"	59.5649495	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H+NH4"	19.041099
"394274"	223.166818	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+Na"	22.989218
"754582"	323.255618	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+Na"	22.989218
"1603730"	123.078018	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Na"	22.989218
"328355"	112.087047	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+H+Na"	23.996494
"718951"	162.131447	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+H+Na"	23.996494
"1465116"	62.042647	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H+Na"	23.996494
"1054106"	41.6975233333333	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2H+Na"	25.00377
"1257850"	133.122286	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+CH3OH+H"	33.033486
"378246"	239.140758	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+K"	38.963158
"740335"	339.229558	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+K"	38.963158
"1541659"	139.051958	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+K"	38.963158
"299565"	120.074017	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+H+K"	39.970434
"696730"	170.118417	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+H+K"	39.970434
"1451648"	70.029617	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H+K"	39.970434
"246812"	242.211426	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+ACN+H"	42.033826
"1220613"	142.122626	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+ACN+H"	42.033826
"1204502"	71.564951	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+ACN+2H"	43.041102
"199558"	245.14876	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+2Na-H"	44.97116
"639119"	345.23756	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+2Na-H"	44.97116
"1137156"	145.05996	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2Na-H"	44.97116
"176073"	123.078018	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+2Na"	45.978436
"623291"	173.122418	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+2Na"	45.978436
"1126068"	73.033618	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2Na"	45.978436
"1407038"	49.0248373333333	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H+2Na"	46.985712
"1430526"	147.101546	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H+HCOOH"	47.012746
"221196"	128.11104	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+3H2O+2H"	56.04448
"1509621"	161.15359	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+IsoProp+H"	61.06479
"411131"	131.064988	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+Na+K"	61.952376
"773219"	181.109388	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+Na+K"	61.952376
"1670642"	81.020588	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Na+K"	61.952376
"258254"	264.193368	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+ACN+Na"	64.015768
"1236066"	164.104568	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+ACN+Na"	64.015768
"1726413"	164.128093	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+NH4+HCOOH"	64.039293
"1185207"	56.3521513333333	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+3Na"	68.967654
"1662390"	169.083488	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Na+HCOOH"	68.994688
"169615"	277.09664	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+2K-H"	76.91904
"604804"	377.18544	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+2K-H"	76.91904
"1090773"	177.00784	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2K-H"	76.91904
"147227"	139.051958	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"2M+2K"	77.926316
"586787"	189.096358	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"3M+2K"	77.926316
"1077862"	89.007558	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2K"	77.926316
"1100004"	179.022392	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2K+H"	78.933592
"1335622"	179.110007	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+DMSO+H"	79.021207
"1010522"	183.149176	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2ACN+H"	83.060376
"1530836"	184.142808	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+IsoProp+Na+H"	84.054008
"994003"	92.078226	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+2ACN+2H"	84.067652
"1592881"	185.057428	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+K+HCOOH"	84.968628
"1426199"	215.088938	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+H+CF3COOH"	115.000138
"1156486"	112.591501	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+3ACN+2H"	125.094202
"1704945"	232.115485	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+NH4+CF3COOH"	132.026685
"1639502"	237.07088	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+Na+CF3COOH"	136.98208
"1586089"	253.04482	"C02373"	"4-Methylpentanal;Isocaproaldehyde;Isohexanal"	"C6H12O"	"100.0888"	"M+K+CF3COOH"	152.95602
"813176"	143.9978	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M"	0
"977963"	124.97941	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H2O-H"	-19.01839
"63283"	94.9912573333333	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-3H"	-3.021828
"509045"	142.990524	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-3H"	-3.021828
"889035"	46.9919906666667	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-3H"	-3.021828
"7613"	142.990524	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H"	-2.014552
"443892"	214.989424	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H"	-2.014552
"826071"	70.991624	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H"	-2.014552
"83875"	286.988324	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-H"	-1.007276
"520277"	430.986124	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-H"	-1.007276
"898684"	142.990524	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H"	-1.007276
"49045"	304.014871	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H+NH4"	16.019271
"488241"	448.012671	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H+NH4"	16.019271
"865313"	160.017071	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H+NH4"	16.019271
"35045"	308.970266	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H+Na"	20.974666
"472080"	452.968066	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H+Na"	20.974666
"854965"	164.972466	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H+Na"	20.974666
"1631060"	164.972466	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na-2H"	20.974666
"105401"	160.978863	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-H+Cl"	33.962126
"542775"	232.977763	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-H+Cl"	33.962126
"933009"	88.979963	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+Cl"	33.962126
"268405"	322.965002	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Cl"	34.969402
"663986"	466.962802	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+Cl"	34.969402
"1277482"	178.967202	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl"	34.969402
"23324"	324.944206	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H+K"	36.948606
"458508"	468.942006	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H+K"	36.948606
"839592"	180.946406	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H+K"	36.948606
"1558706"	180.946406	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K-2H"	36.948606
"944402"	188.995994	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+HCOOH"	44.998194
"362251"	332.993801	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+HCOOH-H"	44.998201
"347227"	347.009451	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Hac-H"	59.013851
"1496428"	203.011651	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Hac-H"	59.013851
"960322"	210.977951	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+NaCOOH"	66.980151
"115065"	178.967202	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2Cl"	69.938804
"553531"	250.966102	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2Cl"	69.938804
"1023424"	106.968302	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2Cl"	69.938804
"1241823"	222.916685	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Br"	78.918885
"1304322"	224.972672	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl+HCOOH"	80.974872
"1320433"	246.954629	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl+NaCOOH"	102.956829
"912544"	256.983386	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+CF3COOH"	112.985586
"1289295"	292.960064	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl+CF3COOH"	148.962264
"1371060"	108.985124	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H-2H2O"	-35.012676
"1387460"	126.9951	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H-H2O"	-17.0027
"283871"	289.002876	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H"	1.007276
"676294"	433.000676	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H"	1.007276
"1360301"	145.005076	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H"	1.007276
"126383"	145.005076	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2H"	2.014552
"566557"	217.003976	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2H"	2.014552
"1038271"	73.006176	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2H"	2.014552
"205925"	97.0058093333333	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+3H"	3.021828
"646458"	145.005076	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+3H"	3.021828
"1163487"	49.0065426666667	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+3H"	3.021828
"426400"	306.029423	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+NH4"	18.033823
"786542"	450.027223	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+NH4"	18.033823
"1681710"	162.031623	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+NH4"	18.033823
"330560"	153.5183495	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H+NH4"	19.041099
"724438"	225.5172495	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H+NH4"	19.041099
"1481176"	81.5194495	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+NH4"	19.041099
"393654"	310.984818	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Na"	22.989218
"756477"	454.982618	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+Na"	22.989218
"1614785"	166.987018	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na"	22.989218
"326279"	155.996047	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H+Na"	23.996494
"715781"	227.994947	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H+Na"	23.996494
"1465228"	83.997147	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+Na"	23.996494
"1054341"	56.3338566666667	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2H+Na"	25.00377
"1257138"	177.031286	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+CH3OH+H"	33.033486
"377252"	326.958758	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+K"	38.963158
"739108"	470.956558	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+K"	38.963158
"1543233"	182.960958	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K"	38.963158
"306973"	163.983017	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H+K"	39.970434
"701220"	235.981917	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H+K"	39.970434
"1458322"	91.984117	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+K"	39.970434
"246926"	330.029426	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+ACN+H"	42.033826
"1220731"	186.031626	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+ACN+H"	42.033826
"1203520"	93.519451	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+ACN+2H"	43.041102
"200764"	332.96676	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2Na-H"	44.97116
"637043"	476.96456	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2Na-H"	44.97116
"1141643"	188.96896	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2Na-H"	44.97116
"183477"	166.987018	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2Na"	45.978436
"623769"	238.985918	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2Na"	45.978436
"1123627"	94.988118	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2Na"	45.978436
"1407149"	63.6611706666667	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+2Na"	46.985712
"1431610"	191.010546	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+HCOOH"	47.012746
"221544"	172.02004	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+3H2O+2H"	56.04448
"1509729"	205.06259	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+IsoProp+H"	61.06479
"413421"	174.973988	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Na+K"	61.952376
"775512"	246.972888	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+Na+K"	61.952376
"1671843"	102.975088	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na+K"	61.952376
"258364"	352.011368	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+ACN+Na"	64.015768
"1234354"	208.013568	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+ACN+Na"	64.015768
"1718865"	208.037093	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+NH4+HCOOH"	64.039293
"1187501"	70.9884846666667	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+3Na"	68.967654
"1658489"	212.992488	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na+HCOOH"	68.994688
"165351"	364.91464	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2K-H"	76.91904
"599081"	508.91244	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2K-H"	76.91904
"1087236"	220.91684	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2K-H"	76.91904
"148429"	182.960958	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2K"	77.926316
"587990"	254.959858	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2K"	77.926316
"1069464"	110.962058	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2K"	77.926316
"1103527"	222.931392	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2K+H"	78.933592
"1336256"	223.019007	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+DMSO+H"	79.021207
"1016105"	227.058176	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2ACN+H"	83.060376
"1534229"	228.051808	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+IsoProp+Na+H"	84.054008
"996302"	114.032726	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2ACN+2H"	84.067652
"1594087"	228.966428	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K+HCOOH"	84.968628
"1425216"	258.997938	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+CF3COOH"	115.000138
"1158787"	134.546001	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+3ACN+2H"	125.094202
"1709431"	276.024485	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+NH4+CF3COOH"	132.026685
"1648367"	280.97988	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na+CF3COOH"	136.98208
"1586200"	296.95382	"C02375"	"4-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K+CF3COOH"	152.95602
"813287"	125.0589	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M"	0
"976980"	106.04051	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-H2O-H"	-19.01839
"63191"	82.365324	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M-3H"	-3.021828
"509155"	124.051624	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M-3H"	-3.021828
"884773"	40.679024	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-3H"	-3.021828
"8816"	124.051624	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M-2H"	-2.014552
"442909"	186.581074	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M-2H"	-2.014552
"825087"	61.522174	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-2H"	-2.014552
"83985"	249.110524	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M-H"	-1.007276
"519412"	374.169424	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M-H"	-1.007276
"900253"	124.051624	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-H"	-1.007276
"48794"	266.137071	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M-2H+NH4"	16.019271
"488105"	391.195971	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M-2H+NH4"	16.019271
"865545"	141.078171	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-2H+NH4"	16.019271
"33076"	271.092466	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M-2H+Na"	20.974666
"472230"	396.151366	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M-2H+Na"	20.974666
"861639"	146.033566	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-2H+Na"	20.974666
"1631538"	146.033566	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Na-2H"	20.974666
"105511"	142.039963	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M-H+Cl"	33.962126
"548232"	204.569413	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M-H+Cl"	33.962126
"940534"	79.510513	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-H+Cl"	33.962126
"277143"	285.087202	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+Cl"	34.969402
"665191"	410.146102	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+Cl"	34.969402
"1276501"	160.028302	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Cl"	34.969402
"23434"	287.066406	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M-2H+K"	36.948606
"461900"	412.125306	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M-2H+K"	36.948606
"837517"	162.007506	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-2H+K"	36.948606
"1559913"	162.007506	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+K-2H"	36.948606
"946701"	170.057094	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-H+HCOOH"	44.998194
"361533"	295.116001	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+HCOOH-H"	44.998201
"350986"	309.131651	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+Hac-H"	59.013851
"1497266"	184.072751	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Hac-H"	59.013851
"958689"	192.039051	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-H+NaCOOH"	66.980151
"110148"	160.028302	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+2Cl"	69.938804
"551817"	222.557752	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+2Cl"	69.938804
"1023899"	97.498852	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2Cl"	69.938804
"1241890"	203.977785	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Br"	78.918885
"1304587"	206.033772	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Cl+HCOOH"	80.974872
"1320258"	228.015729	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Cl+NaCOOH"	102.956829
"911686"	238.044486	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M-H+CF3COOH"	112.985586
"1289361"	274.021164	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Cl+CF3COOH"	148.962264
"1367281"	90.046224	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H-2H2O"	-35.012676
"1384168"	108.0562	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H-H2O"	-17.0027
"283977"	251.125076	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+H"	1.007276
"681877"	376.183976	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+H"	1.007276
"1354946"	126.066176	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H"	1.007276
"133307"	126.066176	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+2H"	2.014552
"572865"	188.595626	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+2H"	2.014552
"1041664"	63.536726	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2H"	2.014552
"206403"	84.379876	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+3H"	3.021828
"646939"	126.066176	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+3H"	3.021828
"1166156"	42.693576	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+3H"	3.021828
"425787"	268.151623	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+NH4"	18.033823
"789337"	393.210523	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+NH4"	18.033823
"1682392"	143.092723	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+NH4"	18.033823
"330792"	134.5794495	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+H+NH4"	19.041099
"724548"	197.1088995	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+H+NH4"	19.041099
"1479459"	72.0499995	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H+NH4"	19.041099
"394495"	273.107018	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+Na"	22.989218
"756587"	398.165918	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+Na"	22.989218
"1611247"	148.048118	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Na"	22.989218
"326876"	137.057147	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+H+Na"	23.996494
"715892"	199.586597	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+H+Na"	23.996494
"1465338"	74.527697	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H+Na"	23.996494
"1054815"	50.02089	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2H+Na"	25.00377
"1257250"	158.092386	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+CH3OH+H"	33.033486
"377205"	289.080958	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+K"	38.963158
"738646"	414.139858	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+K"	38.963158
"1541514"	164.022058	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+K"	38.963158
"305625"	145.044117	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+H+K"	39.970434
"703156"	207.573567	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+H+K"	39.970434
"1459651"	82.514667	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H+K"	39.970434
"247036"	292.151626	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+ACN+H"	42.033826
"1219748"	167.092726	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+ACN+H"	42.033826
"1203630"	84.050001	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+ACN+2H"	43.041102
"200510"	295.08896	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+2Na-H"	44.97116
"636060"	420.14786	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+2Na-H"	44.97116
"1142846"	170.03006	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2Na-H"	44.97116
"185051"	148.048118	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+2Na"	45.978436
"623878"	210.577568	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+2Na"	45.978436
"1127383"	85.518668	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2Na"	45.978436
"1406534"	57.348204	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H+2Na"	46.985712
"1433910"	172.071646	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H+HCOOH"	47.012746
"224696"	153.08114	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+3H2O+2H"	56.04448
"1510570"	186.12369	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+IsoProp+H"	61.06479
"409527"	156.035088	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+Na+K"	61.952376
"773437"	218.564538	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+Na+K"	61.952376
"1674140"	93.505638	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Na+K"	61.952376
"260661"	314.133568	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+ACN+Na"	64.015768
"1235557"	189.074668	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+ACN+Na"	64.015768
"1720069"	189.098193	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+NH4+HCOOH"	64.039293
"1188706"	64.675518	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+3Na"	68.967654
"1656413"	194.053588	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Na+HCOOH"	68.994688
"168743"	327.03684	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+2K-H"	76.91904
"599556"	452.09574	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+2K-H"	76.91904
"1085159"	201.97794	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2K-H"	76.91904
"148539"	164.022058	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"2M+2K"	77.926316
"588100"	226.551508	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"3M+2K"	77.926316
"1069574"	101.492608	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2K"	77.926316
"1103637"	203.992492	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2K+H"	78.933592
"1335758"	204.080107	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+DMSO+H"	79.021207
"1016215"	208.119276	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2ACN+H"	83.060376
"1534339"	209.112908	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+IsoProp+Na+H"	84.054008
"994225"	104.563276	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+2ACN+2H"	84.067652
"1596383"	210.027528	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+K+HCOOH"	84.968628
"1426420"	240.059038	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+H+CF3COOH"	115.000138
"1159993"	125.076551	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+3ACN+2H"	125.094202
"1710884"	257.085585	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+NH4+CF3COOH"	132.026685
"1649205"	262.04098	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+Na+CF3COOH"	136.98208
"1586310"	278.01492	"C02376"	"5-Methylcytosine"	"C5H7N3O"	"125.0589"	"M+K+CF3COOH"	152.95602
"810117"	131.0946	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M"	0
"979274"	112.07621	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"65330"	86.389124	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"503797"	130.087324	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"888163"	42.690924	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"11113"	130.087324	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"451767"	195.634624	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"824103"	64.540024	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"84094"	261.181924	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"526934"	392.276524	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"898174"	130.087324	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"55830"	278.208471	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"490282"	409.303071	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"865896"	147.113871	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"32947"	283.163866	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"483939"	414.258466	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"863567"	152.069266	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1629090"	152.069266	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"105621"	148.075663	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"548590"	213.622963	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"939790"	82.528363	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"277253"	297.158602	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"665302"	428.253202	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1283177"	166.064002	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"24637"	299.137806	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"462010"	430.232406	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"838722"	168.043206	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1560385"	168.043206	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"943889"	176.092794	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"362220"	307.187401	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"347815"	321.203051	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1498106"	190.108451	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"960178"	198.074751	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"112734"	166.064002	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"553022"	231.611302	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1023279"	100.516702	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1243222"	210.013485	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1305670"	212.069472	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1320082"	234.051429	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"911950"	244.080186	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1288780"	280.056864	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1367638"	96.081924	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1384038"	114.0919	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"287382"	263.196476	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"680166"	394.291076	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1354331"	132.101876	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"132323"	132.101876	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"567143"	197.649176	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1041777"	66.554576	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"204939"	88.403676	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"647414"	132.101876	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1166274"	44.705476	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"425416"	280.223023	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"788357"	411.317623	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1685782"	149.128423	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"330330"	140.6151495	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"726482"	206.1624495	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1480303"	75.0678495	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"398983"	285.178418	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"759978"	416.273018	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1613544"	154.083818	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"326861"	143.092847	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"718189"	208.640147	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1465448"	77.545547	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1054319"	52.03279	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1257118"	164.128086	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"377550"	301.152358	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"738575"	432.246958	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1554028"	170.057758	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"312301"	151.079817	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"704727"	216.627117	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1458909"	85.532517	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"249707"	304.223026	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1223506"	173.128426	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1205927"	87.067851	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"202449"	307.16036	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"642738"	438.25496	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1144786"	176.06576	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"185889"	154.083818	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"625815"	219.631118	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1128830"	88.536518	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1407372"	59.360104	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1436205"	178.107346	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"225899"	159.11684	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1511772"	192.15939	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"412550"	162.070788	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"776825"	227.618088	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1673159"	96.523488	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"258585"	326.204968	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1230202"	195.110368	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1717994"	195.133893	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1181161"	66.687418	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1655429"	200.089288	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"158648"	339.10824	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"598571"	470.20284	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1086364"	208.01364	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"143180"	170.057758	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"581892"	235.605058	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1077104"	104.510458	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1105938"	210.028192	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1344516"	210.115807	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1017420"	214.154976	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1538706"	215.148608	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"1005397"	107.581126	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1601604"	216.063228	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1425441"	246.094738	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1160105"	128.094401	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1710021"	263.121285	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1648949"	268.07668	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1586420"	284.05062	"C02378"	"6-Aminohexanoate;6-Aminohexanoic acid;Epsilcapramine;6-Aminocaproic acid"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"806947"	194.0579	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M"	0
"978291"	175.03951	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"65440"	128.364657333333	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"503658"	193.050624	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"881713"	63.6786906666667	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"9036"	193.050624	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"449690"	290.079574	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"823120"	96.021674	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"83111"	387.108524	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"527044"	581.166424	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"898648"	193.050624	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"57033"	404.135071	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"491126"	598.192971	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"867102"	210.077171	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"33181"	409.090466	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"484049"	603.148366	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"864083"	215.032566	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1629200"	215.032566	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"105731"	211.038963	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"549426"	308.067913	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"936619"	114.010013	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"277363"	423.085202	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"666505"	617.143102	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1284017"	229.027302	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"24747"	425.064406	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"461026"	619.122306	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"837737"	231.006506	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1560130"	231.006506	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"945825"	239.056094	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"362580"	433.114001	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"347561"	447.129651	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1497122"	253.071751	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"961382"	261.038051	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"113937"	229.027302	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"554225"	326.056252	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1024482"	131.998352	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1242968"	272.976785	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1305780"	275.032772	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1320720"	297.014729	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"912144"	307.043486	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1289586"	343.020164	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1369207"	159.045224	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1383542"	177.0552	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"284940"	389.123076	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"677724"	583.180976	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1352619"	195.065176	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"132433"	195.065176	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"569076"	292.094126	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1040794"	98.036226	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"205049"	130.379209333333	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"647160"	195.065176	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1165292"	65.6932426666667	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"425039"	406.149623	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"787374"	600.207523	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1683706"	212.091723	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"330524"	203.5784495	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"724405"	300.6073995	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1480413"	106.5494995	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"397998"	411.105018	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"761182"	605.162918	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1614748"	217.047118	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"325878"	206.056147	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"718300"	303.085097	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1467745"	109.027197	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1053700"	73.0205566666667	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1259021"	227.091386	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"380875"	427.078958	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"739682"	621.136858	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1549762"	233.021058	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"303657"	214.043117	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"696077"	311.072067	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1447707"	117.014167	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"249819"	430.149626	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1224230"	236.091726	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1208104"	118.549501	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"202803"	433.08696	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"642122"	627.14486	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1145868"	239.02906	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"187214"	217.047118	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"626653"	314.076068	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1128332"	120.018168	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1408575"	80.3478706666667	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1439595"	241.070646	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"223823"	222.08014	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1510425"	255.12269	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"410841"	225.034088	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"775846"	322.063038	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1672175"	128.005138	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"259789"	452.131568	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1232499"	258.073668	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1720291"	258.097193	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1183459"	87.6751846666667	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1657728"	263.052588	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"159486"	465.03484	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"600867"	659.09274	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1087567"	270.97694	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"146570"	233.021058	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"583218"	330.050008	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1072836"	135.992108	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1102764"	272.991492	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1337077"	273.079107	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1009872"	277.118276	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1529086"	278.111908	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"1003197"	139.062776	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1598793"	279.026528	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1428105"	309.058038	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1159849"	159.576051	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1709765"	326.084585	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1649059"	331.03998	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1586530"	347.01392	"C02379"	"6-Hydroxymellein"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"807057"	152.0157	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M"	0
"977308"	132.99731	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-H2O-H"	-19.01839
"65550"	100.336524	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M-3H"	-3.021828
"503049"	151.008424	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M-3H"	-3.021828
"885103"	49.664624	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-3H"	-3.021828
"8053"	151.008424	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M-2H"	-2.014552
"449800"	227.016274	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M-2H"	-2.014552
"823230"	75.000574	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-2H"	-2.014552
"82128"	303.024124	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M-H"	-1.007276
"526061"	455.039824	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M-H"	-1.007276
"904956"	151.008424	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-H"	-1.007276
"52040"	320.050671	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M-2H+NH4"	16.019271
"489409"	472.066371	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M-2H+NH4"	16.019271
"865024"	168.034971	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-2H+NH4"	16.019271
"33291"	325.006066	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M-2H+Na"	20.974666
"476505"	477.021766	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M-2H+Na"	20.974666
"861963"	172.990366	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-2H+Na"	20.974666
"1626030"	172.990366	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Na-2H"	20.974666
"98186"	168.996763	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M-H+Cl"	33.962126
"537747"	245.004613	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M-H+Cl"	33.962126
"929439"	92.988913	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-H+Cl"	33.962126
"268481"	339.000802	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+Cl"	34.969402
"664792"	491.016502	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+Cl"	34.969402
"1281211"	186.985102	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Cl"	34.969402
"22670"	340.980006	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M-2H+K"	36.948606
"461136"	492.995706	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M-2H+K"	36.948606
"836024"	188.964306	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-2H+K"	36.948606
"1559144"	188.964306	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+K-2H"	36.948606
"944231"	197.013894	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-H+HCOOH"	44.998194
"366339"	349.029601	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+HCOOH-H"	44.998201
"349128"	363.045251	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+Hac-H"	59.013851
"1499055"	211.029551	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Hac-H"	59.013851
"962220"	218.995851	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-H+NaCOOH"	66.980151
"114048"	186.985102	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+2Cl"	69.938804
"552877"	262.992952	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+2Cl"	69.938804
"1023864"	110.977252	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2Cl"	69.938804
"1242712"	230.934585	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Br"	78.918885
"1304918"	232.990572	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Cl+HCOOH"	80.974872
"1320223"	254.972529	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Cl+NaCOOH"	102.956829
"911648"	265.001286	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M-H+CF3COOH"	112.985586
"1289332"	300.977964	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Cl+CF3COOH"	148.962264
"1369317"	117.003024	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H-2H2O"	-35.012676
"1383528"	135.013	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H-H2O"	-17.0027
"284680"	305.038676	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+H"	1.007276
"680384"	457.054376	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+H"	1.007276
"1354548"	153.022976	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H"	1.007276
"129260"	153.022976	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+2H"	2.014552
"567482"	229.030826	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+2H"	2.014552
"1038468"	77.015126	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2H"	2.014552
"204908"	102.351076	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+3H"	3.021828
"645561"	153.022976	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+3H"	3.021828
"1163814"	51.679176	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+3H"	3.021828
"428672"	322.065223	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+NH4"	18.033823
"787601"	474.080923	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+NH4"	18.033823
"1682354"	170.049523	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+NH4"	18.033823
"331362"	161.5362495	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+H+NH4"	19.041099
"725608"	237.5440995	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+H+NH4"	19.041099
"1478333"	85.5283995	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H+NH4"	19.041099
"397015"	327.020618	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+Na"	22.989218
"758376"	479.036318	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+Na"	22.989218
"1614858"	175.004918	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Na"	22.989218
"323801"	164.013947	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+H+Na"	23.996494
"718410"	240.021797	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+H+Na"	23.996494
"1467855"	88.006097	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H+Na"	23.996494
"1056726"	59.00649	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2H+Na"	25.00377
"1258767"	185.049186	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+CH3OH+H"	33.033486
"378434"	342.994558	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+K"	38.963158
"740523"	495.010258	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+K"	38.963158
"1545498"	190.978858	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+K"	38.963158
"303768"	172.000917	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+H+K"	39.970434
"695458"	248.008767	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+H+K"	39.970434
"1446965"	95.993067	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H+K"	39.970434
"242986"	346.065226	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+ACN+H"	42.033826
"1214600"	194.049526	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+ACN+H"	42.033826
"1206147"	97.528401	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+ACN+2H"	43.041102
"203845"	349.00256	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+2Na-H"	44.97116
"643567"	501.01826	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+2Na-H"	44.97116
"1146747"	196.98686	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2Na-H"	44.97116
"186837"	175.004918	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+2Na"	45.978436
"626398"	251.012768	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+2Na"	45.978436
"1126256"	98.997068	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2Na"	45.978436
"1405405"	66.333804	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H+2Na"	46.985712
"1439705"	199.028446	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H+HCOOH"	47.012746
"223933"	180.03794	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+3H2O+2H"	56.04448
"1511992"	213.08049	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+IsoProp+H"	61.06479
"410950"	182.991888	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+Na+K"	61.952376
"777049"	258.999738	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+Na+K"	61.952376
"1673381"	106.984038	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Na+K"	61.952376
"258806"	368.047168	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+ACN+Na"	64.015768
"1231516"	216.031468	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+ACN+Na"	64.015768
"1723683"	216.054993	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+NH4+HCOOH"	64.039293
"1186851"	73.661118	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+3Na"	68.967654
"1662212"	221.010388	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Na+HCOOH"	68.994688
"159595"	380.95044	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+2K-H"	76.91904
"600977"	532.96614	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+2K-H"	76.91904
"1089864"	228.93474	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2K-H"	76.91904
"149960"	190.978858	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"2M+2K"	77.926316
"586244"	266.986708	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"3M+2K"	77.926316
"1074040"	114.971008	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2K"	77.926316
"1102873"	230.949292	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2K+H"	78.933592
"1336699"	231.036907	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+DMSO+H"	79.021207
"1011072"	235.076076	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2ACN+H"	83.060376
"1530654"	236.069708	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+IsoProp+Na+H"	84.054008
"1000025"	118.041676	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+2ACN+2H"	84.067652
"1594527"	236.984328	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+K+HCOOH"	84.968628
"1426757"	267.015838	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+H+CF3COOH"	115.000138
"1160323"	138.554951	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+3ACN+2H"	125.094202
"1710968"	284.042385	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+NH4+CF3COOH"	132.026685
"1649048"	288.99778	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+Na+CF3COOH"	136.98208
"1586640"	304.97172	"C02380"	"6-Mercaptopurine;Mercaptopurine"	"C5H4N4S"	"152.0157"	"M+K+CF3COOH"	152.95602
"807167"	208.0736	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M"	0
"978512"	189.05521	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-H2O-H"	-19.01839
"63716"	137.708457333333	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M-3H"	-3.021828
"506317"	207.066324	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M-3H"	-3.021828
"885213"	68.3505906666667	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-3H"	-3.021828
"5976"	207.066324	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M-2H"	-2.014552
"448817"	311.103124	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M-2H"	-2.014552
"823339"	103.029524	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-2H"	-2.014552
"85518"	415.139924	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M-H"	-1.007276
"527265"	623.213524	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M-H"	-1.007276
"905066"	207.066324	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-H"	-1.007276
"51786"	432.166471	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M-2H+NH4"	16.019271
"489521"	640.240071	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M-2H+NH4"	16.019271
"865134"	224.092871	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-2H+NH4"	16.019271
"32183"	437.121866	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M-2H+Na"	20.974666
"471876"	645.195466	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M-2H+Na"	20.974666
"864024"	229.048266	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-2H+Na"	20.974666
"1632700"	229.048266	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Na-2H"	20.974666
"100483"	225.054663	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M-H+Cl"	33.962126
"540044"	329.091463	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M-H+Cl"	33.962126
"934652"	121.017863	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-H+Cl"	33.962126
"271021"	451.116602	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+Cl"	34.969402
"665632"	659.190202	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+Cl"	34.969402
"1279134"	243.043002	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Cl"	34.969402
"19500"	453.095806	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M-2H+K"	36.948606
"462342"	661.169406	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M-2H+K"	36.948606
"834310"	245.022206	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-2H+K"	36.948606
"1557799"	245.022206	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+K-2H"	36.948606
"944465"	253.071794	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-H+HCOOH"	44.998194
"363166"	461.145401	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+HCOOH-H"	44.998201
"347780"	475.161051	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+Hac-H"	59.013851
"1494790"	267.087451	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Hac-H"	59.013851
"963063"	275.053751	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-H+NaCOOH"	66.980151
"114155"	243.043002	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+2Cl"	69.938804
"552258"	347.079802	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+2Cl"	69.938804
"1022878"	139.006202	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2Cl"	69.938804
"1242823"	286.992485	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Br"	78.918885
"1305635"	289.048472	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Cl+HCOOH"	80.974872
"1319927"	311.030429	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Cl+NaCOOH"	102.956829
"911598"	321.059186	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M-H+CF3COOH"	112.985586
"1289320"	357.035864	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Cl+CF3COOH"	148.962264
"1369792"	173.060924	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H-2H2O"	-35.012676
"1383394"	191.0709	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H-H2O"	-17.0027
"288804"	417.154476	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+H"	1.007276
"682318"	625.228076	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+H"	1.007276
"1351493"	209.080876	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H"	1.007276
"129005"	209.080876	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+2H"	2.014552
"567840"	313.117676	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+2H"	2.014552
"1039919"	105.044076	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2H"	2.014552
"204451"	139.723009333333	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+3H"	3.021828
"645915"	209.080876	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+3H"	3.021828
"1164779"	70.3651426666667	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+3H"	3.021828
"428781"	434.181023	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+NH4"	18.033823
"786009"	642.254623	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+NH4"	18.033823
"1681613"	226.107423	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+NH4"	18.033823
"332204"	217.5941495	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+H+NH4"	19.041099
"724625"	321.6309495	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+H+NH4"	19.041099
"1478321"	113.5573495	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H+NH4"	19.041099
"398218"	439.136418	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+Na"	22.989218
"759215"	647.210018	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+Na"	22.989218
"1614968"	231.062818	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Na"	22.989218
"323911"	220.071847	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+H+Na"	23.996494
"718520"	324.108647	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+H+Na"	23.996494
"1470152"	116.035047	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H+Na"	23.996494
"1059023"	77.6924566666667	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2H+Na"	25.00377
"1257783"	241.107086	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+CH3OH+H"	33.033486
"380368"	455.110358	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+K"	38.963158
"740633"	663.183958	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+K"	38.963158
"1543784"	247.036758	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+K"	38.963158
"300229"	228.058817	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+H+K"	39.970434
"693377"	332.095617	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+H+K"	39.970434
"1447927"	124.022017	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H+K"	39.970434
"236534"	458.181026	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+ACN+H"	42.033826
"1214711"	250.107426	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+ACN+H"	42.033826
"1202972"	125.557351	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+ACN+2H"	43.041102
"203753"	461.11836	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+2Na-H"	44.97116
"642701"	669.19196	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+2Na-H"	44.97116
"1146532"	253.04476	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2Na-H"	44.97116
"188449"	231.062818	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+2Na"	45.978436
"626508"	335.099618	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+2Na"	45.978436
"1126366"	127.026018	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2Na"	45.978436
"1408796"	85.0197706666667	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H+2Na"	46.985712
"1442003"	255.086346	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H+HCOOH"	47.012746
"229510"	236.09584	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+3H2O+2H"	56.04448
"1515385"	269.13839	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+IsoProp+H"	61.06479
"411791"	239.049788	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+Na+K"	61.952376
"777160"	343.086588	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+Na+K"	61.952376
"1674585"	135.012988	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Na+K"	61.952376
"255637"	480.162968	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+ACN+Na"	64.015768
"1233813"	272.089368	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+ACN+Na"	64.015768
"1723793"	272.112893	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+NH4+HCOOH"	64.039293
"1184775"	92.3470846666667	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+3Na"	68.967654
"1663416"	277.068288	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Na+HCOOH"	68.994688
"161892"	493.06624	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+2K-H"	76.91904
"603275"	701.13984	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+2K-H"	76.91904
"1089975"	284.99264	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2K-H"	76.91904
"151166"	247.036758	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"2M+2K"	77.926316
"584532"	351.073558	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"3M+2K"	77.926316
"1075242"	142.999958	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2K"	77.926316
"1102983"	287.007192	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2K+H"	78.933592
"1336444"	287.094807	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+DMSO+H"	79.021207
"1010453"	291.133976	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2ACN+H"	83.060376
"1529306"	292.127608	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+IsoProp+Na+H"	84.054008
"1000135"	146.070626	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+2ACN+2H"	84.067652
"1593544"	293.042228	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+K+HCOOH"	84.968628
"1427596"	323.073738	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+H+CF3COOH"	115.000138
"1162737"	166.583901	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+3ACN+2H"	125.094202
"1711445"	340.100285	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+NH4+CF3COOH"	132.026685
"1649647"	345.05568	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+Na+CF3COOH"	136.98208
"1586751"	361.02962	"C02381"	"6-Methoxymellein"	"C11H12O4"	"208.0736"	"M+K+CF3COOH"	152.95602
"807277"	174.1117	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M"	0
"975342"	155.09331	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H2O-H"	-19.01839
"62942"	115.067190666667	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-3H"	-3.021828
"506427"	173.104424	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-3H"	-3.021828
"884229"	57.0299573333333	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-3H"	-3.021828
"6086"	173.104424	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H"	-2.014552
"448927"	260.160274	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H"	-2.014552
"822356"	86.048574	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H"	-2.014552
"84534"	347.216124	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-H"	-1.007276
"526281"	521.327824	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-H"	-1.007276
"899709"	173.104424	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H"	-1.007276
"54083"	364.242671	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H+NH4"	16.019271
"490363"	538.354371	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H+NH4"	16.019271
"865366"	190.130971	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H+NH4"	16.019271
"32290"	369.198066	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H+Na"	20.974666
"474538"	543.309766	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H+Na"	20.974666
"849785"	195.086366	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H+Na"	20.974666
"1624061"	195.086366	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na-2H"	20.974666
"97312"	191.092763	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-H+Cl"	33.962126
"537966"	278.148613	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-H+Cl"	33.962126
"935853"	104.036913	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+Cl"	33.962126
"273317"	383.192802	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Cl"	34.969402
"663553"	557.304502	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+Cl"	34.969402
"1279238"	209.081102	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl"	34.969402
"18515"	385.172006	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M-2H+K"	36.948606
"460263"	559.283706	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M-2H+K"	36.948606
"835150"	211.060306	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-2H+K"	36.948606
"1556571"	211.060306	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K-2H"	36.948606
"943966"	219.109894	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+HCOOH"	44.998194
"364372"	393.221601	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+HCOOH-H"	44.998201
"347161"	407.237251	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Hac-H"	59.013851
"1494901"	233.125551	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Hac-H"	59.013851
"963173"	241.091851	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+NaCOOH"	66.980151
"112444"	209.081102	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2Cl"	69.938804
"552367"	296.136952	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2Cl"	69.938804
"1022623"	122.025252	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2Cl"	69.938804
"1241839"	253.030585	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Br"	78.918885
"1305746"	255.086572	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl+HCOOH"	80.974872
"1320078"	277.068529	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl+NaCOOH"	102.956829
"911624"	287.097286	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M-H+CF3COOH"	112.985586
"1289064"	323.073964	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Cl+CF3COOH"	148.962264
"1369538"	139.099024	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H-2H2O"	-35.012676
"1382932"	157.109	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H-H2O"	-17.0027
"288916"	349.230676	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H"	1.007276
"684615"	523.342376	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H"	1.007276
"1351482"	175.118976	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H"	1.007276
"129115"	175.118976	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2H"	2.014552
"569407"	262.174826	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2H"	2.014552
"1040029"	88.063126	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2H"	2.014552
"204764"	117.081742666667	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+3H"	3.021828
"647119"	175.118976	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+3H"	3.021828
"1165618"	59.0445093333333	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+3H"	3.021828
"428891"	366.257223	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+NH4"	18.033823
"786607"	540.368923	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+NH4"	18.033823
"1684032"	192.145523	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+NH4"	18.033823
"333407"	183.6322495	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H+NH4"	19.041099
"725828"	270.6880995	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H+NH4"	19.041099
"1480740"	96.5763995	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+NH4"	19.041099
"398328"	371.212618	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Na"	22.989218
"760418"	545.324318	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+Na"	22.989218
"1615078"	197.100918	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na"	22.989218
"324021"	186.109947	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H+Na"	23.996494
"718629"	273.165797	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H+Na"	23.996494
"1468075"	99.054097	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+Na"	23.996494
"1055852"	66.3718233333333	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2H+Na"	25.00377
"1257772"	207.145186	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+CH3OH+H"	33.033486
"379382"	387.186558	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+K"	38.963158
"740741"	561.298258	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+K"	38.963158
"1542793"	213.074858	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K"	38.963158
"301431"	194.096917	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+H+K"	39.970434
"693487"	281.152767	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+H+K"	39.970434
"1449130"	107.041067	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+K"	39.970434
"239558"	390.257226	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+ACN+H"	42.033826
"1214820"	216.145526	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+ACN+H"	42.033826
"1203082"	108.576401	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+ACN+2H"	43.041102
"197046"	393.19456	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2Na-H"	44.97116
"642811"	567.30626	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2Na-H"	44.97116
"1145589"	219.08286	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2Na-H"	44.97116
"187786"	197.100918	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2Na"	45.978436
"626982"	284.156768	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2Na"	45.978436
"1126476"	110.045068	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2Na"	45.978436
"1406717"	73.6991373333333	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+2Na"	46.985712
"1441019"	221.124446	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+HCOOH"	47.012746
"224152"	202.13394	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+3H2O+2H"	56.04448
"1510755"	235.17649	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+IsoProp+H"	61.06479
"410807"	205.087888	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+Na+K"	61.952376
"777271"	292.143738	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+Na+K"	61.952376
"1671415"	118.032038	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na+K"	61.952376
"256840"	412.239168	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+ACN+Na"	64.015768
"1231737"	238.127468	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+ACN+Na"	64.015768
"1721718"	238.150993	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+NH4+HCOOH"	64.039293
"1184521"	81.0264513333333	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+3Na"	68.967654
"1662433"	243.106388	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na+HCOOH"	68.994688
"161274"	425.14244	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2K-H"	76.91904
"603385"	599.25414	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2K-H"	76.91904
"1088992"	251.03074	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2K-H"	76.91904
"149087"	213.074858	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"2M+2K"	77.926316
"586464"	300.130708	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"3M+2K"	77.926316
"1075352"	126.019008	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2K"	77.926316
"1104186"	253.045292	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2K+H"	78.933592
"1336557"	253.132907	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+DMSO+H"	79.021207
"1011292"	257.172076	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2ACN+H"	83.060376
"1529416"	258.165708	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+IsoProp+Na+H"	84.054008
"1000245"	129.089676	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+2ACN+2H"	84.067652
"1593654"	259.080328	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K+HCOOH"	84.968628
"1428071"	289.111838	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+H+CF3COOH"	115.000138
"1162679"	149.602951	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+3ACN+2H"	125.094202
"1711189"	306.138385	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+NH4+CF3COOH"	132.026685
"1649637"	311.09378	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+Na+CF3COOH"	136.98208
"1586861"	327.06772	"C02385"	"Amino acid(Arg-);Arginine;2-Amino-5-guanidinovaleric acid"	"C6H14N4O2"	"174.1117"	"M+K+CF3COOH"	152.95602
"807387"	109.029	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M"	0
"977639"	90.01061	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H2O-H"	-19.01839
"63727"	71.678724	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-3H"	-3.021828
"504350"	108.021724	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-3H"	-3.021828
"884339"	35.335724	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-3H"	-3.021828
"5103"	108.021724	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H"	-2.014552
"449037"	162.536224	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H"	-2.014552
"823560"	53.507224	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H"	-2.014552
"86831"	217.050724	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-H"	-1.007276
"529671"	326.079724	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-H"	-1.007276
"905286"	108.021724	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H"	-1.007276
"57473"	234.077271	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H+NH4"	16.019271
"498127"	343.106271	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H+NH4"	16.019271
"867543"	125.048271	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H+NH4"	16.019271
"33620"	239.032666	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H+Na"	20.974666
"472461"	348.061666	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H+Na"	20.974666
"849530"	130.003666	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H+Na"	20.974666
"1623078"	130.003666	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na-2H"	20.974666
"102889"	126.010063	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-H+Cl"	33.962126
"540263"	180.524563	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-H+Cl"	33.962126
"935963"	71.495563	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+Cl"	33.962126
"273428"	253.027402	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Cl"	34.969402
"669131"	362.056402	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+Cl"	34.969402
"1278254"	143.998402	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl"	34.969402
"16067"	255.006606	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H+K"	36.948606
"459279"	364.035606	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H+K"	36.948606
"835255"	145.977606	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H+K"	36.948606
"1559474"	145.977606	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K-2H"	36.948606
"942803"	154.027194	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+HCOOH"	44.998194
"362051"	263.056201	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+HCOOH-H"	44.998201
"345779"	277.071851	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Hac-H"	59.013851
"1492856"	168.042851	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Hac-H"	59.013851
"959758"	176.009151	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+NaCOOH"	66.980151
"110107"	143.998402	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2Cl"	69.938804
"552114"	198.512902	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2Cl"	69.938804
"1021526"	89.483902	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2Cl"	69.938804
"1241947"	187.947885	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Br"	78.918885
"1305856"	190.003872	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl+HCOOH"	80.974872
"1320230"	211.985829	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl+NaCOOH"	102.956829
"912222"	222.014586	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+CF3COOH"	112.985586
"1289418"	257.991264	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl+CF3COOH"	148.962264
"1367939"	74.016324	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H-2H2O"	-35.012676
"1387142"	92.0263	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H-H2O"	-17.0027
"285744"	219.065276	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H"	1.007276
"684724"	328.094276	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H"	1.007276
"1351872"	110.036276	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H"	1.007276
"127279"	110.036276	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2H"	2.014552
"571339"	164.550776	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2H"	2.014552
"1041232"	55.521776	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2H"	2.014552
"204710"	73.693276	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+3H"	3.021828
"646863"	110.036276	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+3H"	3.021828
"1166821"	37.350276	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+3H"	3.021828
"430094"	236.091823	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+NH4"	18.033823
"789997"	345.120823	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+NH4"	18.033823
"1681955"	127.062823	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+NH4"	18.033823
"333518"	118.5495495	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H+NH4"	19.041099
"724844"	173.0640495	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H+NH4"	19.041099
"1480850"	64.0350495	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+NH4"	19.041099
"398438"	241.047218	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Na"	22.989218
"759435"	350.076218	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+Na"	22.989218
"1614094"	132.018218	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na"	22.989218
"318663"	121.027247	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H+Na"	23.996494
"712177"	175.541747	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H+Na"	23.996494
"1464904"	66.512747	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+Na"	23.996494
"1057057"	44.67759	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2H+Na"	25.00377
"1259825"	142.062486	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+CH3OH+H"	33.033486
"379488"	257.021158	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+K"	38.963158
"740848"	366.050158	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+K"	38.963158
"1543631"	147.992158	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K"	38.963158
"301542"	129.014217	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H+K"	39.970434
"694327"	183.528717	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H+K"	39.970434
"1449605"	74.499717	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+K"	39.970434
"237843"	260.091826	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+ACN+H"	42.033826
"1213105"	151.062826	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+ACN+H"	42.033826
"1196995"	76.035051	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+ACN+2H"	43.041102
"190594"	263.02916	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2Na-H"	44.97116
"631611"	372.05816	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2Na-H"	44.97116
"1141690"	154.00016	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2Na-H"	44.97116
"180240"	132.018218	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2Na"	45.978436
"624176"	186.532718	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2Na"	45.978436
"1124402"	77.503718	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2Na"	45.978436
"1406827"	52.004904	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+2Na"	46.985712
"1440035"	156.041746	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+HCOOH"	47.012746
"224262"	137.05124	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+3H2O+2H"	56.04448
"1509528"	170.09379	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+IsoProp+H"	61.06479
"410307"	140.005188	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Na+K"	61.952376
"776288"	194.519688	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+Na+K"	61.952376
"1671525"	85.490688	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na+K"	61.952376
"255857"	282.073768	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+ACN+Na"	64.015768
"1231847"	173.044768	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+ACN+Na"	64.015768
"1721828"	173.068293	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+NH4+HCOOH"	64.039293
"1182808"	59.332218	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+3Na"	68.967654
"1659264"	178.023688	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na+HCOOH"	68.994688
"159197"	294.97704	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2K-H"	76.91904
"601308"	404.00604	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2K-H"	76.91904
"1090194"	185.94804	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2K-H"	76.91904
"148103"	147.992158	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2K"	77.926316
"586938"	202.506658	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2K"	77.926316
"1073275"	93.477658	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2K"	77.926316
"1105389"	187.962592	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2K+H"	78.933592
"1337517"	188.050207	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+DMSO+H"	79.021207
"1010310"	192.089376	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2ACN+H"	83.060376
"1529526"	193.083008	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+IsoProp+Na+H"	84.054008
"999261"	96.548326	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2ACN+2H"	84.067652
"1593764"	193.997628	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K+HCOOH"	84.968628
"1428545"	224.029138	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+CF3COOH"	115.000138
"1162353"	117.061601	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+3ACN+2H"	125.094202
"1710204"	241.055685	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+NH4+CF3COOH"	132.026685
"1649707"	246.01108	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na+CF3COOH"	136.98208
"1586971"	261.98502	"C02389"	"p-Benzosemiquinone;4-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K+CF3COOH"	152.95602
"814059"	90.0429	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M"	0
"978843"	71.02451	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-H2O-H"	-19.01839
"63801"	59.021324	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M-3H"	-3.021828
"511022"	89.035624	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M-3H"	-3.021828
"895471"	29.007024	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-3H"	-3.021828
"15059"	89.035624	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M-2H"	-2.014552
"455309"	134.057074	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M-2H"	-2.014552
"830231"	44.014174	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-2H"	-2.014552
"91316"	179.078524	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M-H"	-1.007276
"528688"	269.121424	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M-H"	-1.007276
"908677"	89.035624	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-H"	-1.007276
"58677"	196.105071	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M-2H+NH4"	16.019271
"491677"	286.147971	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M-2H+NH4"	16.019271
"869480"	106.062171	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-2H+NH4"	16.019271
"35192"	201.060466	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M-2H+Na"	20.974666
"478040"	291.103366	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M-2H+Na"	20.974666
"862403"	111.017566	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-2H+Na"	20.974666
"1626470"	111.017566	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Na-2H"	20.974666
"102999"	107.023963	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M-H+Cl"	33.962126
"540371"	152.045413	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M-H+Cl"	33.962126
"937168"	62.002513	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-H+Cl"	33.962126
"276817"	215.055202	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+Cl"	34.969402
"667054"	305.098102	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+Cl"	34.969402
"1278364"	125.012302	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Cl"	34.969402
"16466"	217.034406	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M-2H+K"	36.948606
"459390"	307.077306	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M-2H+K"	36.948606
"836100"	126.991506	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-2H+K"	36.948606
"1558494"	126.991506	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+K-2H"	36.948606
"943944"	135.041094	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-H+HCOOH"	44.998194
"364228"	225.084001	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+HCOOH-H"	44.998201
"346768"	239.099651	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+Hac-H"	59.013851
"1493297"	149.056751	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Hac-H"	59.013851
"960104"	157.023051	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-H+NaCOOH"	66.980151
"111327"	125.012302	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+2Cl"	69.938804
"550069"	170.033752	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+2Cl"	69.938804
"1022845"	79.990852	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2Cl"	69.938804
"1241935"	168.961785	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Br"	78.918885
"1305965"	171.017772	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Cl+HCOOH"	80.974872
"1321637"	192.999729	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Cl+NaCOOH"	102.956829
"911599"	203.028486	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M-H+CF3COOH"	112.985586
"1293781"	239.005164	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Cl+CF3COOH"	148.962264
"1367931"	55.030224	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H-2H2O"	-35.012676
"1388343"	73.0402	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H-H2O"	-17.0027
"283130"	181.093076	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+H"	1.007276
"676322"	271.135976	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+H"	1.007276
"1352431"	91.050176	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H"	1.007276
"126534"	91.050176	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+2H"	2.014552
"565736"	136.071626	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+2H"	2.014552
"1037569"	46.028726	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2H"	2.014552
"205110"	61.035876	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+3H"	3.021828
"645151"	91.050176	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+3H"	3.021828
"1172034"	31.021576	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+3H"	3.021828
"428016"	198.119623	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+NH4"	18.033823
"794481"	288.162523	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+NH4"	18.033823
"1688625"	108.076723	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+NH4"	18.033823
"336902"	99.5634495	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+H+NH4"	19.041099
"732606"	144.5848995	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+H+NH4"	19.041099
"1485332"	54.5419995	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H+NH4"	19.041099
"400729"	203.075018	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+Na"	22.989218
"757353"	293.117918	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+Na"	22.989218
"1603015"	113.032118	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Na"	22.989218
"318771"	102.041147	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+H+Na"	23.996494
"711193"	147.062597	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+H+Na"	23.996494
"1464281"	57.019697	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H+Na"	23.996494
"1054976"	38.34889	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2H+Na"	25.00377
"1259935"	123.076386	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+CH3OH+H"	33.033486
"378142"	219.048958	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+K"	38.963158
"740594"	309.091858	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+K"	38.963158
"1542648"	129.006058	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+K"	38.963158
"300556"	110.028117	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+H+K"	39.970434
"693342"	155.049567	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+H+K"	39.970434
"1447162"	65.006667	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H+K"	39.970434
"240504"	222.119626	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+ACN+H"	42.033826
"1214309"	132.076726	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+ACN+H"	42.033826
"1196739"	66.542001	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+ACN+2H"	43.041102
"195076"	225.05696	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+2Na-H"	44.97116
"634636"	315.09986	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+2Na-H"	44.97116
"1141430"	135.01406	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2Na-H"	44.97116
"177065"	113.032118	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+2Na"	45.978436
"617718"	158.053568	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+2Na"	45.978436
"1123413"	68.010668	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2Na"	45.978436
"1401468"	45.676204	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H+2Na"	46.985712
"1431760"	137.055646	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H+HCOOH"	47.012746
"221334"	118.06514	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+3H2O+2H"	56.04448
"1513526"	151.10769	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+IsoProp+H"	61.06479
"413212"	121.019088	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+Na+K"	61.952376
"775301"	166.040538	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+Na+K"	61.952376
"1674911"	75.997638	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Na+K"	61.952376
"254144"	244.101568	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+ACN+Na"	64.015768
"1230862"	154.058668	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+ACN+Na"	64.015768
"1719749"	154.082193	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+NH4+HCOOH"	64.039293
"1186198"	53.003518	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+3Na"	68.967654
"1658278"	159.037588	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Na+HCOOH"	68.994688
"160401"	257.00484	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+2K-H"	76.91904
"601419"	347.04774	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+2K-H"	76.91904
"1090670"	166.96194	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2K-H"	76.91904
"150405"	129.006058	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"2M+2K"	77.926316
"582669"	174.027508	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"3M+2K"	77.926316
"1069613"	83.984608	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2K"	77.926316
"1100754"	168.976492	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2K+H"	78.933592
"1337019"	169.064107	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+DMSO+H"	79.021207
"1006156"	173.103276	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2ACN+H"	83.060376
"1525011"	174.096908	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+IsoProp+Na+H"	84.054008
"993535"	87.055276	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+2ACN+2H"	84.067652
"1590954"	175.011528	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+K+HCOOH"	84.968628
"1422815"	205.043038	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+H+CF3COOH"	115.000138
"1156385"	107.568551	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+3ACN+2H"	125.094202
"1711405"	222.069585	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+NH4+CF3COOH"	132.026685
"1639402"	227.02498	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+Na+CF3COOH"	136.98208
"1577239"	242.99892	"C02390"	"Methylazoxymethanol;CH3-N(O)N-CH2OH"	"C2H6N2O2"	"90.0429"	"M+K+CF3COOH"	152.95602
"807607"	134.0732	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M"	0
"976766"	115.05481	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-H2O-H"	-19.01839
"63019"	88.3748573333333	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M-3H"	-3.021828
"518506"	133.065924	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M-3H"	-3.021828
"895596"	43.6837906666667	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-3H"	-3.021828
"15170"	133.065924	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M-2H"	-2.014552
"454364"	200.102524	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M-2H"	-2.014552
"827060"	66.029324	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-2H"	-2.014552
"91426"	267.139124	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M-H"	-1.007276
"530986"	401.212324	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M-H"	-1.007276
"908787"	133.065924	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-H"	-1.007276
"55508"	284.165671	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M-2H+NH4"	16.019271
"492881"	418.238871	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M-2H+NH4"	16.019271
"868131"	150.092471	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-2H+NH4"	16.019271
"34937"	289.121066	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M-2H+Na"	20.974666
"473774"	423.194266	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M-2H+Na"	20.974666
"861421"	155.047866	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-2H+Na"	20.974666
"1626580"	155.047866	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Na-2H"	20.974666
"105296"	151.054263	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M-H+Cl"	33.962126
"539388"	218.090863	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M-H+Cl"	33.962126
"938373"	84.017663	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-H+Cl"	33.962126
"278752"	303.115802	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+Cl"	34.969402
"669352"	437.189002	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+Cl"	34.969402
"1278474"	169.042602	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Cl"	34.969402
"18846"	305.095006	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M-2H+K"	36.948606
"457435"	439.168206	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M-2H+K"	36.948606
"836209"	171.021806	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-2H+K"	36.948606
"1559697"	171.021806	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+K-2H"	36.948606
"946851"	179.071394	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-H+HCOOH"	44.998194
"366161"	313.144601	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+HCOOH-H"	44.998201
"350408"	327.160251	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+Hac-H"	59.013851
"1497784"	193.087051	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Hac-H"	59.013851
"960950"	201.053351	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-H+NaCOOH"	66.980151
"112409"	169.042602	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+2Cl"	69.938804
"551606"	236.079202	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+2Cl"	69.938804
"1023684"	102.006002	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2Cl"	69.938804
"1243262"	212.992085	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Br"	78.918885
"1306804"	215.048072	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Cl+HCOOH"	80.974872
"1321384"	237.030029	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Cl+NaCOOH"	102.956829
"912078"	247.058786	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M-H+CF3COOH"	112.985586
"1296078"	283.035464	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Cl+CF3COOH"	148.962264
"1372052"	99.060524	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H-2H2O"	-35.012676
"1388453"	117.0705	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H-H2O"	-17.0027
"283077"	269.153676	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+H"	1.007276
"677288"	403.226876	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+H"	1.007276
"1353638"	135.080476	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H"	1.007276
"126038"	135.080476	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+2H"	2.014552
"567548"	202.117076	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+2H"	2.014552
"1037438"	68.043876	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2H"	2.014552
"204854"	90.3894093333333	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+3H"	3.021828
"653289"	135.080476	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+3H"	3.021828
"1174696"	45.6983426666667	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+3H"	3.021828
"434690"	286.180223	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+NH4"	18.033823
"793499"	420.253423	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+NH4"	18.033823
"1688736"	152.107023	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+NH4"	18.033823
"339200"	143.5937495	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+H+NH4"	19.041099
"733809"	210.6303495	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+H+NH4"	19.041099
"1487629"	76.5571495	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H+NH4"	19.041099
"400840"	291.135618	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+Na"	22.989218
"760745"	425.208818	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+Na"	22.989218
"1611029"	157.062418	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Na"	22.989218
"321069"	146.071447	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+H+Na"	23.996494
"714584"	213.108047	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+H+Na"	23.996494
"1468402"	79.034847	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H+Na"	23.996494
"1058366"	53.0256566666667	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2H+Na"	25.00377
"1261139"	167.106686	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+CH3OH+H"	33.033486
"382993"	307.109558	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+K"	38.963158
"739490"	441.182758	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+K"	38.963158
"1542030"	173.036358	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+K"	38.963158
"301398"	154.058417	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+H+K"	39.970434
"692723"	221.095017	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+H+K"	39.970434
"1449095"	87.021817	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H+K"	39.970434
"240252"	310.180226	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+ACN+H"	42.033826
"1212961"	176.107026	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+ACN+H"	42.033826
"1199037"	88.557151	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+ACN+2H"	43.041102
"195186"	313.11756	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+2Na-H"	44.97116
"632195"	447.19076	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+2Na-H"	44.97116
"1143362"	179.04436	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2Na-H"	44.97116
"180456"	157.062418	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+2Na"	45.978436
"618924"	224.099018	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+2Na"	45.978436
"1125710"	90.025818	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2Na"	45.978436
"1402673"	60.3529706666667	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H+2Na"	46.985712
"1430775"	181.085946	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H+HCOOH"	47.012746
"221931"	162.09544	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+3H2O+2H"	56.04448
"1512544"	195.13799	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+IsoProp+H"	61.06479
"410405"	165.049388	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+Na+K"	61.952376
"775412"	232.085988	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+Na+K"	61.952376
"1675021"	98.012788	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Na+K"	61.952376
"256078"	332.162168	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+ACN+Na"	64.015768
"1229881"	198.088968	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+ACN+Na"	64.015768
"1718767"	198.112493	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+NH4+HCOOH"	64.039293
"1183026"	67.6802846666667	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+3Na"	68.967654
"1656201"	203.067888	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Na+HCOOH"	68.994688
"159783"	345.06544	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+2K-H"	76.91904
"601165"	479.13864	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+2K-H"	76.91904
"1089322"	210.99224	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2K-H"	76.91904
"144682"	173.036358	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"2M+2K"	77.926316
"582658"	240.072958	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"3M+2K"	77.926316
"1068992"	105.999758	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2K"	77.926316
"1100259"	213.006792	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2K+H"	78.933592
"1337252"	213.094407	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+DMSO+H"	79.021207
"1010527"	217.133576	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2ACN+H"	83.060376
"1527559"	218.127208	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+IsoProp+Na+H"	84.054008
"996196"	109.070426	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+2ACN+2H"	84.067652
"1590704"	219.041828	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+K+HCOOH"	84.968628
"1428396"	249.073338	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+H+CF3COOH"	115.000138
"1160869"	129.583701	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+3ACN+2H"	125.094202
"1710423"	266.099885	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+NH4+CF3COOH"	132.026685
"1639512"	271.05528	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+Na+CF3COOH"	136.98208
"1577349"	287.02922	"C02394"	"Cinnamyl alcohol;3-Phenyl-2-propen-1-ol;Styrylcarbinol"	"C9H10O"	"134.0732"	"M+K+CF3COOH"	152.95602
"807717"	96.0575	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M"	0
"975783"	77.03911	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-H2O-H"	-19.01839
"63086"	63.0310573333333	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M-3H"	-3.021828
"517808"	95.050224	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M-3H"	-3.021828
"893426"	31.0118906666667	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-3H"	-3.021828
"13821"	95.050224	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M-2H"	-2.014552
"451557"	143.078974	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M-2H"	-2.014552
"827170"	47.021474	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-2H"	-2.014552
"90443"	191.107724	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M-H"	-1.007276
"531096"	287.165224	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M-H"	-1.007276
"908897"	95.050224	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-H"	-1.007276
"54525"	208.134271	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M-2H+NH4"	16.019271
"491897"	304.191771	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M-2H+NH4"	16.019271
"869700"	112.076771	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-2H+NH4"	16.019271
"33955"	213.089666	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M-2H+Na"	20.974666
"472791"	309.147166	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M-2H+Na"	20.974666
"861167"	117.032166	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-2H+Na"	20.974666
"1623410"	117.032166	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Na-2H"	20.974666
"101032"	113.038563	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M-H+Cl"	33.962126
"536216"	161.067313	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M-H+Cl"	33.962126
"936295"	65.009813	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-H+Cl"	33.962126
"277039"	227.084402	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+Cl"	34.969402
"666182"	323.141902	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+Cl"	34.969402
"1277491"	131.026902	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Cl"	34.969402
"21142"	229.063606	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M-2H+K"	36.948606
"457423"	325.121106	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M-2H+K"	36.948606
"833524"	133.006106	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-2H+K"	36.948606
"1557619"	133.006106	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+K-2H"	36.948606
"944771"	141.055694	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-H+HCOOH"	44.998194
"364083"	237.113201	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+HCOOH-H"	44.998201
"350882"	251.128851	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+Hac-H"	59.013851
"1497531"	155.071351	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Hac-H"	59.013851
"961060"	163.037651	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-H+NaCOOH"	66.980151
"113614"	131.026902	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+2Cl"	69.938804
"551716"	179.055652	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+2Cl"	69.938804
"1023430"	82.998152	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2Cl"	69.938804
"1243372"	174.976385	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Br"	78.918885
"1308373"	177.032372	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Cl+HCOOH"	80.974872
"1323681"	199.014329	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Cl+NaCOOH"	102.956829
"912916"	209.043086	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M-H+CF3COOH"	112.985586
"1296189"	245.019764	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Cl+CF3COOH"	148.962264
"1376537"	61.044824	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H-2H2O"	-35.012676
"1392936"	79.0548	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H-H2O"	-17.0027
"283273"	193.122276	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+H"	1.007276
"677034"	289.179776	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+H"	1.007276
"1357031"	97.064776	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H"	1.007276
"127001"	97.064776	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+2H"	2.014552
"566322"	145.093526	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+2H"	2.014552
"1037468"	49.036026	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2H"	2.014552
"204480"	65.0456093333333	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+3H"	3.021828
"647932"	97.064776	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+3H"	3.021828
"1170435"	33.0264426666667	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+3H"	3.021828
"431522"	210.148823	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+NH4"	18.033823
"793609"	306.206323	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+NH4"	18.033823
"1687755"	114.091323	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+NH4"	18.033823
"338218"	105.5780495	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+H+NH4"	19.041099
"731733"	153.6067995	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+H+NH4"	19.041099
"1482272"	57.5492995	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H+NH4"	19.041099
"400950"	215.104218	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+Na"	22.989218
"760858"	311.161718	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+Na"	22.989218
"1612235"	119.046718	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Na"	22.989218
"321908"	108.055747	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+H+Na"	23.996494
"713600"	156.084497	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+H+Na"	23.996494
"1469970"	60.026997	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H+Na"	23.996494
"1056655"	40.3537566666667	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2H+Na"	25.00377
"1262342"	129.090986	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+CH3OH+H"	33.033486
"382010"	231.078158	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+K"	38.963158
"740088"	327.135658	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+K"	38.963158
"1540683"	135.020658	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+K"	38.963158
"305517"	116.042717	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+H+K"	39.970434
"693198"	164.071467	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+H+K"	39.970434
"1448841"	68.013967	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H+K"	39.970434
"241453"	234.148826	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+ACN+H"	42.033826
"1215258"	138.091326	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+ACN+H"	42.033826
"1202428"	69.549301	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+ACN+2H"	43.041102
"197483"	237.08616	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+2Na-H"	44.97116
"637045"	333.14366	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+2Na-H"	44.97116
"1143107"	141.02866	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2Na-H"	44.97116
"180565"	119.046718	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+2Na"	45.978436
"619034"	167.075468	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+2Na"	45.978436
"1125091"	71.017968	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2Na"	45.978436
"1404241"	47.6810706666667	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H+2Na"	46.985712
"1433804"	143.070246	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H+HCOOH"	47.012746
"221555"	124.07974	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+3H2O+2H"	56.04448
"1510831"	157.12229	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+IsoProp+H"	61.06479
"415620"	127.033688	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+Na+K"	61.952376
"777710"	175.062438	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+Na+K"	61.952376
"1674038"	79.004938	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Na+K"	61.952376
"257282"	256.130768	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+ACN+Na"	64.015768
"1229991"	160.073268	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+ACN+Na"	64.015768
"1719971"	160.096793	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+NH4+HCOOH"	64.039293
"1183136"	55.0083846666667	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+3Na"	68.967654
"1656311"	165.052188	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Na+HCOOH"	68.994688
"159529"	269.03404	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+2K-H"	76.91904
"602735"	365.09154	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+2K-H"	76.91904
"1089797"	172.97654	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2K-H"	76.91904
"144064"	135.020658	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"2M+2K"	77.926316
"582893"	183.049408	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"3M+2K"	77.926316
"1069226"	86.991908	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2K"	77.926316
"1100128"	174.991092	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2K+H"	78.933592
"1337728"	175.078707	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+DMSO+H"	79.021207
"1009544"	179.117876	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2ACN+H"	83.060376
"1526940"	180.111508	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+IsoProp+Na+H"	84.054008
"994119"	90.062576	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+2ACN+2H"	84.067652
"1594095"	181.026128	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+K+HCOOH"	84.968628
"1428872"	211.057638	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+H+CF3COOH"	115.000138
"1161346"	110.575851	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+3ACN+2H"	125.094202
"1708347"	228.084185	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+NH4+CF3COOH"	132.026685
"1646183"	233.03958	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+Na+CF3COOH"	136.98208
"1577459"	249.01352	"C02395"	"Cyclohex-2-enone;2-Cyclohexen-1-one"	"C6H8O"	"96.0575"	"M+K+CF3COOH"	152.95602
"813297"	887.4879	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M"	0
"974801"	868.46951	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-H2O-H"	-19.01839
"76899"	590.651324	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M-3H"	-3.021828
"516825"	886.480624	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M-3H"	-3.021828
"894386"	294.822024	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-3H"	-3.021828
"12837"	886.480624	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M-2H"	-2.014552
"447292"	1330.224574	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M-2H"	-2.014552
"826188"	442.736674	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-2H"	-2.014552
"88366"	1773.968524	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M-H"	-1.007276
"526832"	2661.456424	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M-H"	-1.007276
"905727"	886.480624	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-H"	-1.007276
"49169"	1790.995071	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M-2H+NH4"	16.019271
"488728"	2678.482971	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M-2H+NH4"	16.019271
"865070"	903.507171	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-2H+NH4"	16.019271
"40996"	1795.950466	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M-2H+Na"	20.974666
"482748"	2683.438366	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M-2H+Na"	20.974666
"859090"	908.462566	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-2H+Na"	20.974666
"1623520"	908.462566	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Na-2H"	20.974666
"94863"	904.468963	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M-H+Cl"	33.962126
"538515"	1348.212913	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M-H+Cl"	33.962126
"938595"	460.725013	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-H+Cl"	33.962126
"271683"	1809.945202	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+Cl"	34.969402
"667387"	2697.433102	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+Cl"	34.969402
"1273956"	922.457302	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Cl"	34.969402
"20159"	1811.924406	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M-2H+K"	36.948606
"457531"	2699.412306	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M-2H+K"	36.948606
"832886"	924.436506	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-2H+K"	36.948606
"1558823"	924.436506	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+K-2H"	36.948606
"944881"	932.486094	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-H+HCOOH"	44.998194
"366017"	1819.974001	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+HCOOH-H"	44.998201
"347712"	1833.989651	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+Hac-H"	59.013851
"1496548"	946.501751	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Hac-H"	59.013851
"959713"	954.468051	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-H+NaCOOH"	66.980151
"110560"	922.457302	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+2Cl"	69.938804
"550368"	1366.201252	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+2Cl"	69.938804
"1022442"	478.713352	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2Cl"	69.938804
"1242753"	966.406785	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Br"	78.918885
"1305567"	968.462772	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Cl+HCOOH"	80.974872
"1320511"	990.444729	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Cl+NaCOOH"	102.956829
"911931"	1000.473486	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M-H+CF3COOH"	112.985586
"1291924"	1036.450164	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Cl+CF3COOH"	148.962264
"1368261"	852.475224	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H-2H2O"	-35.012676
"1387583"	870.4852	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H-H2O"	-17.0027
"289462"	1775.983076	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+H"	1.007276
"682977"	2663.470976	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+H"	1.007276
"1354954"	888.495176	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H"	1.007276
"126868"	888.495176	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+2H"	2.014552
"566675"	1332.239126	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+2H"	2.014552
"1039485"	444.751226	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2H"	2.014552
"209576"	592.665876	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+3H"	3.021828
"652416"	888.495176	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+3H"	3.021828
"1166167"	296.836576	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+3H"	3.021828
"429442"	1793.009623	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+NH4"	18.033823
"792625"	2680.497523	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+NH4"	18.033823
"1692236"	905.521723	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+NH4"	18.033823
"336140"	897.0084495	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+H+NH4"	19.041099
"730751"	1340.7523995	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+H+NH4"	19.041099
"1483475"	453.2644995	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H+NH4"	19.041099
"397781"	1797.965018	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+Na"	22.989218
"758779"	2685.452918	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+Na"	22.989218
"1610159"	910.477118	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Na"	22.989218
"321289"	899.486147	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+H+Na"	23.996494
"714801"	1343.230097	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+H+Na"	23.996494
"1467527"	455.742197	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H+Na"	23.996494
"1058585"	304.16389	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2H+Na"	25.00377
"1261358"	920.521386	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+CH3OH+H"	33.033486
"377985"	1813.938958	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+K"	38.963158
"740930"	2701.426858	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+K"	38.963158
"1540796"	926.451058	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+K"	38.963158
"304533"	907.473117	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+H+K"	39.970434
"696954"	1351.217067	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+H+K"	39.970434
"1448222"	463.729167	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H+K"	39.970434
"244846"	1817.009626	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+ACN+H"	42.033826
"1213186"	929.521726	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+ACN+H"	42.033826
"1202538"	465.264501	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+ACN+2H"	43.041102
"195409"	1819.94696	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+2Na-H"	44.97116
"634969"	2707.43486	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+2Na-H"	44.97116
"1138481"	932.45906	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2Na-H"	44.97116
"173384"	910.477118	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+2Na"	45.978436
"616957"	1354.221068	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+2Na"	45.978436
"1123743"	466.733168	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2Na"	45.978436
"1405081"	311.491204	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H+2Na"	46.985712
"1430875"	934.500646	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H+HCOOH"	47.012746
"220045"	915.51014	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+3H2O+2H"	56.04448
"1510576"	948.55269	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+IsoProp+H"	61.06479
"415729"	918.464088	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+Na+K"	61.952376
"774538"	1362.208038	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+Na+K"	61.952376
"1669777"	474.720138	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Na+K"	61.952376
"253017"	1838.991568	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+ACN+Na"	64.015768
"1228279"	951.503668	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+ACN+Na"	64.015768
"1720080"	951.527193	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+NH4+HCOOH"	64.039293
"1183250"	318.818518	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+3Na"	68.967654
"1651074"	956.482588	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Na+HCOOH"	68.994688
"160732"	1851.89484	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+2K-H"	76.91904
"603939"	2739.38274	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+2K-H"	76.91904
"1084761"	964.40694	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2K-H"	76.91904
"143081"	926.451058	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"2M+2K"	77.926316
"582276"	1370.195008	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"3M+2K"	77.926316
"1069016"	482.707108	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2K"	77.926316
"1101459"	966.421492	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2K+H"	78.933592
"1337848"	966.509107	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+DMSO+H"	79.021207
"1008564"	970.548276	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2ACN+H"	83.060376
"1527781"	971.541908	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+IsoProp+Na+H"	84.054008
"1002985"	485.777776	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+2ACN+2H"	84.067652
"1596394"	972.456528	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+K+HCOOH"	84.968628
"1424241"	1002.488038	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+H+CF3COOH"	115.000138
"1162633"	506.291051	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+3ACN+2H"	125.094202
"1708457"	1019.514585	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+NH4+CF3COOH"	132.026685
"1646293"	1024.46998	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+Na+CF3COOH"	136.98208
"1572100"	1040.44392	"C02400"	"Demethylmacrocin;2-O-Demethyllactenocin"	"C44H73NO17"	"887.4879"	"M+K+CF3COOH"	152.95602
"807941"	125.9718	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M"	0
"989255"	106.95341	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-H2O-H"	-19.01839
"75189"	82.973924	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M-3H"	-3.021828
"514749"	124.964524	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M-3H"	-3.021828
"889271"	40.983324	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-3H"	-3.021828
"10032"	124.964524	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M-2H"	-2.014552
"451780"	187.950424	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M-2H"	-2.014552
"828488"	61.978624	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-2H"	-2.014552
"86293"	250.936324	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M-H"	-1.007276
"524758"	376.908124	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M-H"	-1.007276
"901468"	124.964524	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-H"	-1.007276
"50377"	267.962871	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M-2H+NH4"	16.019271
"488842"	393.934671	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M-2H+NH4"	16.019271
"865666"	141.991071	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-2H+NH4"	16.019271
"42202"	272.918266	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M-2H+Na"	20.974666
"480672"	398.890066	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M-2H+Na"	20.974666
"856285"	146.946466	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-2H+Na"	20.974666
"1629827"	146.946466	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Na-2H"	20.974666
"105627"	142.952863	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M-H+Cl"	33.962126
"543002"	205.938763	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M-H+Cl"	33.962126
"927279"	79.966963	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-H+Cl"	33.962126
"277992"	286.913002	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+Cl"	34.969402
"667495"	412.884802	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+Cl"	34.969402
"1275161"	160.941202	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Cl"	34.969402
"18810"	288.892206	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M-2H+K"	36.948606
"456911"	414.864006	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M-2H+K"	36.948606
"835444"	162.920406	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-2H+K"	36.948606
"1556380"	162.920406	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+K-2H"	36.948606
"945721"	170.969994	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-H+HCOOH"	44.998194
"369409"	296.941801	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+HCOOH-H"	44.998201
"351105"	310.957451	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+Hac-H"	59.013851
"1498845"	184.985651	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Hac-H"	59.013851
"964563"	192.951951	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-H+NaCOOH"	66.980151
"112740"	160.941202	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+2Cl"	69.938804
"550353"	223.927102	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+2Cl"	69.938804
"1025840"	97.955302	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2Cl"	69.938804
"1245418"	204.890685	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Br"	78.918885
"1306772"	206.946672	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Cl+HCOOH"	80.974872
"1322445"	228.928629	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Cl+NaCOOH"	102.956829
"921886"	238.957386	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M-H+CF3COOH"	112.985586
"1290208"	274.934064	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Cl+CF3COOH"	148.962264
"1368128"	90.959124	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H-2H2O"	-35.012676
"1390980"	108.9691	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H-H2O"	-17.0027
"292853"	252.950876	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+H"	1.007276
"683088"	378.922676	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+H"	1.007276
"1355065"	126.979076	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H"	1.007276
"130144"	126.979076	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+2H"	2.014552
"574078"	189.964976	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+2H"	2.014552
"1046159"	63.993176	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2H"	2.014552
"215155"	84.988476	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+3H"	3.021828
"650341"	126.979076	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+3H"	3.021828
"1167373"	42.997876	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+3H"	3.021828
"433928"	269.977423	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+NH4"	18.033823
"793830"	395.949223	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+NH4"	18.033823
"1691253"	144.005623	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+NH4"	18.033823
"338437"	135.4923495	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+H+NH4"	19.041099
"730860"	198.4782495	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+H+NH4"	19.041099
"1484683"	72.5064495	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H+NH4"	19.041099
"401177"	274.932818	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+Na"	22.989218
"768006"	400.904618	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+Na"	22.989218
"1609177"	148.961018	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Na"	22.989218
"320308"	137.970047	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+H+Na"	23.996494
"713090"	200.955947	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+H+Na"	23.996494
"1467639"	74.984147	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H+Na"	23.996494
"1063071"	50.32519	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2H+Na"	25.00377
"1263657"	159.005286	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+CH3OH+H"	33.033486
"386608"	290.906758	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+K"	38.963158
"748698"	416.878558	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+K"	38.963158
"1550385"	164.934958	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+K"	38.963158
"305737"	145.957017	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+H+K"	39.970434
"701440"	208.942917	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+H+K"	39.970434
"1450891"	82.971117	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H+K"	39.970434
"240590"	293.977426	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+ACN+H"	42.033826
"1218766"	168.005626	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+ACN+H"	42.033826
"1206301"	84.506451	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+ACN+2H"	43.041102
"200995"	296.91476	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+2Na-H"	44.97116
"641895"	422.88656	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+2Na-H"	44.97116
"1144426"	170.94296	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2Na-H"	44.97116
"182612"	148.961018	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+2Na"	45.978436
"624726"	211.946918	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+2Na"	45.978436
"1129203"	85.975118	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2Na"	45.978436
"1408472"	57.652504	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H+2Na"	46.985712
"1437307"	172.984546	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H+HCOOH"	47.012746
"229916"	153.99404	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+3H2O+2H"	56.04448
"1516155"	187.03659	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+IsoProp+H"	61.06479
"416934"	156.947988	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+Na+K"	61.952376
"776839"	219.933888	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+Na+K"	61.952376
"1670985"	93.962088	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Na+K"	61.952376
"259691"	315.959368	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+ACN+Na"	64.015768
"1231304"	189.987568	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+ACN+Na"	64.015768
"1724566"	190.011093	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+NH4+HCOOH"	64.039293
"1182268"	64.979818	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+3Na"	68.967654
"1650743"	194.966488	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Na+HCOOH"	68.994688
"160114"	328.86264	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+2K-H"	76.91904
"601865"	454.83444	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+2K-H"	76.91904
"1088564"	202.89084	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2K-H"	76.91904
"145385"	164.934958	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"2M+2K"	77.926316
"585305"	227.920858	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"3M+2K"	77.926316
"1069459"	101.949058	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2K"	77.926316
"1107043"	204.905392	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2K+H"	78.933592
"1348172"	204.993007	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+DMSO+H"	79.021207
"1017067"	209.032176	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2ACN+H"	83.060376
"1534463"	210.025808	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+IsoProp+Na+H"	84.054008
"1000908"	105.019726	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+2ACN+2H"	84.067652
"1599790"	210.940428	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+K+HCOOH"	84.968628
"1428729"	240.971938	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+H+CF3COOH"	115.000138
"1162539"	125.533001	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+3ACN+2H"	125.094202
"1711847"	257.998485	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+NH4+CF3COOH"	132.026685
"1634179"	262.95388	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+Na+CF3COOH"	136.98208
"1577684"	278.92782	"C02405"	"Formyl phosphate"	"CH3O5P"	"125.9718"	"M+K+CF3COOH"	152.95602
"808052"	879.1313	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M"	0
"987056"	860.11291	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H2O-H"	-19.01839
"73112"	585.080257333333	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-3H"	-3.021828
"511579"	878.124024	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-3H"	-3.021828
"889381"	292.036490666667	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-3H"	-3.021828
"10872"	878.124024	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H"	-2.014552
"450797"	1317.689674	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H"	-2.014552
"824225"	438.558374	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H"	-2.014552
"85311"	1757.255324	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H"	-1.007276
"522681"	2636.386624	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H"	-1.007276
"902674"	878.124024	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H"	-1.007276
"51581"	1774.281871	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+NH4"	16.019271
"489194"	2653.413171	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+NH4"	16.019271
"873319"	895.150571	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+NH4"	16.019271
"39034"	1779.237266	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+Na"	20.974666
"477500"	2658.368566	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+Na"	20.974666
"857488"	900.105966	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+Na"	20.974666
"1627020"	900.105966	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na-2H"	20.974666
"100273"	896.112363	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H+Cl"	33.962126
"536551"	1335.678013	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H+Cl"	33.962126
"927589"	456.546713	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+Cl"	33.962126
"275185"	1793.232002	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Cl"	34.969402
"660789"	2672.363302	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Cl"	34.969402
"1273690"	914.100702	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl"	34.969402
"16200"	1795.211206	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+K"	36.948606
"457386"	2674.342506	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+K"	36.948606
"834459"	916.079906	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+K"	36.948606
"1556972"	916.079906	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K-2H"	36.948606
"945097"	924.129494	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+HCOOH"	44.998194
"365144"	1803.260801	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+HCOOH-H"	44.998201
"353401"	1817.276451	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Hac-H"	59.013851
"1493849"	938.145151	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Hac-H"	59.013851
"962120"	946.111451	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+NaCOOH"	66.980151
"113943"	914.100702	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Cl"	69.938804
"552775"	1353.666352	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Cl"	69.938804
"1028866"	474.535052	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Cl"	69.938804
"1248809"	958.050185	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Br"	78.918885
"1306517"	960.106172	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+HCOOH"	80.974872
"1325469"	982.088129	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+NaCOOH"	102.956829
"914341"	992.116886	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+CF3COOH"	112.985586
"1294339"	1028.093564	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+CF3COOH"	148.962264
"1372500"	844.118624	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-2H2O"	-35.012676
"1388903"	862.1286	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-H2O"	-17.0027
"292964"	1759.269876	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H"	1.007276
"685387"	2638.401176	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H"	1.007276
"1358458"	880.138576	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H"	1.007276
"126605"	880.138576	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2H"	2.014552
"566655"	1319.704226	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2H"	2.014552
"1047362"	440.572926	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H"	2.014552
"208703"	587.094809333333	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H"	3.021828
"651544"	880.138576	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+3H"	3.021828
"1172951"	294.051042666667	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3H"	3.021828
"434037"	1776.296423	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+NH4"	18.033823
"791752"	2655.427723	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+NH4"	18.033823
"1688083"	897.165123	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4"	18.033823
"337455"	888.6518495	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+NH4"	19.041099
"729877"	1328.2174995	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+NH4"	19.041099
"1481148"	449.0861995	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+NH4"	19.041099
"401285"	1781.251818	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na"	22.989218
"761188"	2660.383118	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na"	22.989218
"1612567"	902.120518	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na"	22.989218
"321510"	891.129547	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+Na"	23.996494
"713928"	1330.695197	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+Na"	23.996494
"1467749"	451.563897	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+Na"	23.996494
"1059903"	301.378356666667	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H+Na"	25.00377
"1261580"	912.164786	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+CH3OH+H"	33.033486
"379425"	1797.225758	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+K"	38.963158
"746620"	2676.357058	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+K"	38.963158
"1544298"	918.094458	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K"	38.963158
"304756"	899.116517	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+K"	39.970434
"694994"	1338.682167	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+K"	39.970434
"1451003"	459.550867	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+K"	39.970434
"246898"	1800.296426	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+H"	42.033826
"1220703"	921.165126	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+H"	42.033826
"1204952"	461.086201	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+2H"	43.041102
"197823"	1803.23376	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na-H"	44.97116
"637381"	2682.36506	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na-H"	44.97116
"1144779"	924.10246	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na-H"	44.97116
"184914"	902.120518	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na"	45.978436
"621556"	1341.686168	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na"	45.978436
"1122873"	462.554868	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na"	45.978436
"1407489"	308.705670666667	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+2Na"	46.985712
"1438510"	926.144046	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+HCOOH"	47.012746
"232578"	907.15354	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H2O+2H"	56.04448
"1517357"	940.19609	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+H"	61.06479
"414858"	910.107488	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na+K"	61.952376
"775858"	1349.673138	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na+K"	61.952376
"1674376"	470.541838	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+K"	61.952376
"256522"	1822.278368	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+Na"	64.015768
"1230323"	943.147068	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+Na"	64.015768
"1713256"	943.170593	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+HCOOH"	64.039293
"1178525"	316.032984666667	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3Na"	68.967654
"1649927"	948.125988	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+HCOOH"	68.994688
"157432"	1835.18164	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K-H"	76.91904
"597161"	2714.31294	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K-H"	76.91904
"1085034"	956.05034	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K-H"	76.91904
"144401"	918.094458	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K"	77.926316
"592713"	1357.660108	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K"	77.926316
"1075038"	478.528808	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K"	77.926316
"1107156"	958.064892	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K+H"	78.933592
"1348281"	958.152507	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+DMSO+H"	79.021207
"1018271"	962.191676	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+H"	83.060376
"1535664"	963.185308	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+Na+H"	84.054008
"998831"	481.599476	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+2H"	84.067652
"1591145"	964.099928	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+HCOOH"	84.968628
"1414196"	994.131438	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+CF3COOH"	115.000138
"1154750"	502.112751	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3ACN+2H"	125.094202
"1708311"	1011.157985	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+CF3COOH"	132.026685
"1646519"	1016.11338	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+CF3COOH"	136.98208
"1577795"	1032.08732	"C02411"	"Glutaconyl-1-CoA;4-Carboxybut-2-enoyl-CoA;Glutaconyl-CoA;(E)-Glutaconyl-CoA;(2E)-4-Carboxybut-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+CF3COOH"	152.95602
"808165"	151.0415	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M"	0
"987166"	132.02311	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-H2O-H"	-19.01839
"74313"	99.6870573333333	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M-3H"	-3.021828
"517155"	150.034224	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M-3H"	-3.021828
"894471"	49.3398906666667	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-3H"	-3.021828
"13169"	150.034224	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M-2H"	-2.014552
"450904"	225.554974	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M-2H"	-2.014552
"822146"	74.513474	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-2H"	-2.014552
"84325"	301.075724	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M-H"	-1.007276
"519874"	452.117224	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M-H"	-1.007276
"902785"	150.034224	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-H"	-1.007276
"54973"	318.102271	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M-2H+NH4"	16.019271
"491253"	469.143771	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M-2H+NH4"	16.019271
"870147"	167.060771	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-2H+NH4"	16.019271
"35863"	323.057666	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M-2H+Na"	20.974666
"472870"	474.099166	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M-2H+Na"	20.974666
"850189"	172.016166	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-2H+Na"	20.974666
"1618989"	172.016166	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Na-2H"	20.974666
"100384"	168.022563	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M-H+Cl"	33.962126
"535689"	243.543313	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M-H+Cl"	33.962126
"928720"	92.501813	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-H+Cl"	33.962126
"267513"	337.052402	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+Cl"	34.969402
"660412"	488.093902	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+Cl"	34.969402
"1273033"	186.010902	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Cl"	34.969402
"19035"	339.031606	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M-2H+K"	36.948606
"457499"	490.073106	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M-2H+K"	36.948606
"834572"	187.990106	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-2H+K"	36.948606
"1559883"	187.990106	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+K-2H"	36.948606
"954698"	196.039694	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-H+HCOOH"	44.998194
"370360"	347.081201	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+HCOOH-H"	44.998201
"349501"	361.096851	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+Hac-H"	59.013851
"1502344"	210.055351	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Hac-H"	59.013851
"964418"	218.021651	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-H+NaCOOH"	66.980151
"116606"	186.010902	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+2Cl"	69.938804
"552883"	261.531652	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+2Cl"	69.938804
"1024963"	110.490152	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2Cl"	69.938804
"1245997"	229.960385	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Br"	78.918885
"1306626"	232.016372	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Cl+HCOOH"	80.974872
"1328870"	253.998329	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Cl+NaCOOH"	102.956829
"921021"	264.027086	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M-H+CF3COOH"	112.985586
"1293719"	300.003764	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Cl+CF3COOH"	148.962264
"1372611"	116.028824	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H-2H2O"	-35.012676
"1397401"	134.0388	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H-H2O"	-17.0027
"293076"	303.090276	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+H"	1.007276
"682219"	454.131776	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+H"	1.007276
"1355290"	152.048776	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H"	1.007276
"126355"	152.048776	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+2H"	2.014552
"569928"	227.569526	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+2H"	2.014552
"1044193"	76.528026	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2H"	2.014552
"213188"	101.701609333333	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+3H"	3.021828
"648374"	152.048776	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+3H"	3.021828
"1165406"	51.3544426666667	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+3H"	3.021828
"433055"	320.116823	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+NH4"	18.033823
"791864"	471.158323	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+NH4"	18.033823
"1684912"	169.075323	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+NH4"	18.033823
"333193"	160.5620495	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+H+NH4"	19.041099
"725617"	236.0827995	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+H+NH4"	19.041099
"1482715"	85.0412995	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H+NH4"	19.041099
"402490"	325.072218	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+Na"	22.989218
"764579"	476.113718	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+Na"	22.989218
"1612676"	174.030718	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Na"	22.989218
"315789"	163.039747	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+H+Na"	23.996494
"715138"	238.560497	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+H+Na"	23.996494
"1465683"	87.518997	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H+Na"	23.996494
"1056740"	58.6817566666667	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2H+Na"	25.00377
"1264981"	184.074986	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+CH3OH+H"	33.033486
"380274"	341.046158	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+K"	38.963158
"743453"	492.087658	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+K"	38.963158
"1547700"	190.004658	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+K"	38.963158
"311439"	171.026717	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+H+K"	39.970434
"700581"	246.547467	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+H+K"	39.970434
"1457682"	95.505967	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H+K"	39.970434
"247376"	344.116826	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+ACN+H"	42.033826
"1220091"	193.075326	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+ACN+H"	42.033826
"1203970"	97.041301	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+ACN+2H"	43.041102
"195747"	347.05416	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+2Na-H"	44.97116
"636401"	498.09566	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+2Na-H"	44.97116
"1143919"	196.01266	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2Na-H"	44.97116
"184290"	174.030718	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+2Na"	45.978436
"624218"	249.551468	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+2Na"	45.978436
"1124076"	98.509968	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2Na"	45.978436
"1406505"	66.0090706666667	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H+2Na"	46.985712
"1438619"	198.054246	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H+HCOOH"	47.012746
"223943"	179.06374	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+3H2O+2H"	56.04448
"1515287"	212.10629	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+IsoProp+H"	61.06479
"410964"	182.017688	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+Na+K"	61.952376
"774878"	257.538438	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+Na+K"	61.952376
"1671211"	106.496938	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Na+K"	61.952376
"252015"	366.098768	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+ACN+Na"	64.015768
"1225777"	215.057268	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+ACN+Na"	64.015768
"1713246"	215.080793	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+NH4+HCOOH"	64.039293
"1180304"	73.3363846666667	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+3Na"	68.967654
"1650806"	220.036188	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Na+HCOOH"	68.994688
"162531"	379.00204	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+2K-H"	76.91904
"603186"	530.04354	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+2K-H"	76.91904
"1094261"	227.96054	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2K-H"	76.91904
"152170"	190.004658	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"2M+2K"	77.926316
"591733"	265.525408	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"3M+2K"	77.926316
"1077336"	114.483908	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2K"	77.926316
"1110550"	229.975092	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2K+H"	78.933592
"1348027"	230.062707	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+DMSO+H"	79.021207
"1017650"	234.101876	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2ACN+H"	83.060376
"1535775"	235.095508	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+IsoProp+Na+H"	84.054008
"1000039"	117.554576	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+2ACN+2H"	84.067652
"1597824"	236.010128	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+K+HCOOH"	84.968628
"1422390"	266.041638	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+H+CF3COOH"	115.000138
"1151587"	138.067851	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+3ACN+2H"	125.094202
"1705512"	283.068185	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+NH4+CF3COOH"	132.026685
"1640068"	288.02358	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+Na+CF3COOH"	136.98208
"1574625"	303.99752	"C02419"	"Hypotaurocyamine"	"C3H9N3O2S"	"151.0415"	"M+K+CF3COOH"	152.95602
"804995"	69.0578	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M"	0
"981808"	50.03941	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-H2O-H"	-19.01839
"74423"	45.0312573333333	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M-3H"	-3.021828
"517953"	68.050524	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M-3H"	-3.021828
"892879"	22.0119906666667	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-3H"	-3.021828
"10361"	68.050524	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M-2H"	-2.014552
"451014"	102.579424	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M-2H"	-2.014552
"822256"	33.521624	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-2H"	-2.014552
"84434"	137.108324	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M-H"	-1.007276
"521078"	206.166124	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M-H"	-1.007276
"898520"	68.050524	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-H"	-1.007276
"53990"	154.134871	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M-2H+NH4"	16.019271
"491363"	223.192671	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M-2H+NH4"	16.019271
"866004"	85.077071	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-2H+NH4"	16.019271
"38159"	159.090266	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M-2H+Na"	20.974666
"473224"	228.148066	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M-2H+Na"	20.974666
"849688"	90.032466	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-2H+Na"	20.974666
"1619345"	90.032466	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Na-2H"	20.974666
"100494"	86.038863	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M-H+Cl"	33.962126
"535679"	120.567763	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M-H+Cl"	33.962126
"929195"	51.509963	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-H+Cl"	33.962126
"267871"	173.085002	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+Cl"	34.969402
"660163"	242.142802	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+Cl"	34.969402
"1272972"	104.027202	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Cl"	34.969402
"19509"	175.064206	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M-2H+K"	36.948606
"457609"	244.122006	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M-2H+K"	36.948606
"834317"	106.006406	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-2H+K"	36.948606
"1558171"	106.006406	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+K-2H"	36.948606
"952619"	114.055994	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-H+HCOOH"	44.998194
"368646"	183.113801	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+HCOOH-H"	44.998201
"349611"	197.129451	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+Hac-H"	59.013851
"1496986"	128.071651	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Hac-H"	59.013851
"960881"	136.037951	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-H+NaCOOH"	66.980151
"111246"	104.027202	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+2Cl"	69.938804
"551900"	138.556102	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+2Cl"	69.938804
"1022885"	69.498302	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2Cl"	69.938804
"1241733"	147.976685	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Br"	78.918885
"1306737"	150.032672	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Cl+HCOOH"	80.974872
"1326792"	172.014629	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Cl+NaCOOH"	102.956829
"913839"	182.043386	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M-H+CF3COOH"	112.985586
"1296746"	218.020064	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Cl+CF3COOH"	148.962264
"1376002"	34.045124	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H-2H2O"	-35.012676
"1392405"	52.0551	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H-H2O"	-17.0027
"293186"	139.122876	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+H"	1.007276
"680142"	208.180676	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+H"	1.007276
"1356493"	70.065076	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H"	1.007276
"127071"	70.065076	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+2H"	2.014552
"570038"	104.593976	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+2H"	2.014552
"1045396"	35.536176	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2H"	2.014552
"212205"	47.0458093333333	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+3H"	3.021828
"651764"	70.065076	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+3H"	3.021828
"1166609"	24.0265426666667	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+3H"	3.021828
"429882"	156.149423	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+NH4"	18.033823
"793067"	225.207223	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+NH4"	18.033823
"1689396"	87.091623	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+NH4"	18.033823
"335487"	78.5783495	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+H+NH4"	19.041099
"729006"	113.1072495	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+H+NH4"	19.041099
"1486104"	44.0494495	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H+NH4"	19.041099
"402599"	161.104818	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+Na"	22.989218
"761408"	230.162618	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+Na"	22.989218
"1612786"	92.047018	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Na"	22.989218
"319543"	81.056047	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+H+Na"	23.996494
"711968"	115.584947	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+H+Na"	23.996494
"1465793"	46.527147	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H+Na"	23.996494
"1060127"	31.3538566666667	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2H+Na"	25.00377
"1262904"	102.091286	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+CH3OH+H"	33.033486
"380384"	177.078758	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+K"	38.963158
"744656"	246.136558	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+K"	38.963158
"1551090"	108.020958	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+K"	38.963158
"311550"	89.043017	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+H+K"	39.970434
"701784"	123.571917	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+H+K"	39.970434
"1458885"	54.514117	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H+K"	39.970434
"246394"	180.149426	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+ACN+H"	42.033826
"1221294"	111.091626	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+ACN+H"	42.033826
"1204081"	56.049451	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+ACN+2H"	43.041102
"195857"	183.08676	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+2Na-H"	44.97116
"634324"	252.14456	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+2Na-H"	44.97116
"1143301"	114.02896	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2Na-H"	44.97116
"185495"	92.047018	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+2Na"	45.978436
"625420"	126.575918	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+2Na"	45.978436
"1125279"	57.518118	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2Na"	45.978436
"1407708"	38.6811706666667	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H+2Na"	46.985712
"1440916"	116.070546	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H+HCOOH"	47.012746
"226240"	97.08004	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+3H2O+2H"	56.04448
"1514303"	130.12259	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+IsoProp+H"	61.06479
"412897"	100.033988	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+Na+K"	61.952376
"771830"	134.562888	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+Na+K"	61.952376
"1671321"	65.505088	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Na+K"	61.952376
"252734"	202.131368	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+ACN+Na"	64.015768
"1226657"	133.073568	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+ACN+Na"	64.015768
"1714443"	133.097093	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+NH4+HCOOH"	64.039293
"1180043"	46.0084846666667	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+3Na"	68.967654
"1653589"	138.052488	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Na+HCOOH"	68.994688
"162641"	215.03464	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+2K-H"	76.91904
"600015"	284.09244	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+2K-H"	76.91904
"1089998"	145.97684	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2K-H"	76.91904
"152280"	108.020958	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"2M+2K"	77.926316
"592936"	142.549858	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"3M+2K"	77.926316
"1077446"	73.492058	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2K"	77.926316
"1107382"	147.991392	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2K+H"	78.933592
"1345951"	148.079007	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+DMSO+H"	79.021207
"1015573"	152.118176	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2ACN+H"	83.060376
"1534791"	153.111808	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+IsoProp+Na+H"	84.054008
"999055"	76.562726	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+2ACN+2H"	84.067652
"1597934"	154.026428	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+K+HCOOH"	84.968628
"1424686"	184.057938	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+H+CF3COOH"	115.000138
"1153884"	97.076001	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+3ACN+2H"	125.094202
"1705622"	201.084485	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+NH4+CF3COOH"	132.026685
"1643458"	206.03988	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+Na+CF3COOH"	136.98208
"1574735"	222.01382	"C02420"	"Isobutyronitrile"	"C4H7N"	"69.0578"	"M+K+CF3COOH"	152.95602
"808385"	122.048	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M"	0
"986292"	103.02961	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-H2O-H"	-19.01839
"76720"	80.3580573333333	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M-3H"	-3.021828
"517742"	121.040724	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M-3H"	-3.021828
"892989"	39.6753906666667	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-3H"	-3.021828
"13751"	121.040724	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M-2H"	-2.014552
"451124"	182.064724	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M-2H"	-2.014552
"825646"	60.016724	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-2H"	-2.014552
"87824"	243.088724	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M-H"	-1.007276
"521918"	365.136724	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M-H"	-1.007276
"896808"	121.040724	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-H"	-1.007276
"51912"	260.115271	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M-2H+NH4"	16.019271
"491472"	382.163271	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M-2H+NH4"	16.019271
"867085"	138.067271	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-2H+NH4"	16.019271
"37174"	265.070666	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M-2H+Na"	20.974666
"476738"	387.118666	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M-2H+Na"	20.974666
"849030"	143.022666	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-2H+Na"	20.974666
"1621159"	143.022666	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Na-2H"	20.974666
"97324"	139.029063	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M-H+Cl"	33.962126
"535910"	200.053063	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M-H+Cl"	33.962126
"929305"	78.005063	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-H+Cl"	33.962126
"271144"	279.065402	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+Cl"	34.969402
"659995"	401.113402	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+Cl"	34.969402
"1272777"	157.017402	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Cl"	34.969402
"15999"	281.044606	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M-2H+K"	36.948606
"456046"	403.092606	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M-2H+K"	36.948606
"833041"	158.996606	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-2H+K"	36.948606
"1558644"	158.996606	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+K-2H"	36.948606
"947263"	167.046194	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-H+HCOOH"	44.998194
"365477"	289.094201	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+HCOOH-H"	44.998201
"347175"	303.109851	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+Hac-H"	59.013851
"1495640"	181.061851	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Hac-H"	59.013851
"958526"	189.028151	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-H+NaCOOH"	66.980151
"110261"	157.017402	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+2Cl"	69.938804
"550064"	218.041402	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+2Cl"	69.938804
"1021901"	95.993402	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2Cl"	69.938804
"1241599"	200.966885	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Br"	78.918885
"1305754"	203.022872	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Cl+HCOOH"	80.974872
"1330182"	225.004829	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Cl+NaCOOH"	102.956829
"922335"	235.033586	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M-H+CF3COOH"	112.985586
"1293576"	271.010264	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Cl+CF3COOH"	148.962264
"1379395"	87.035324	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H-2H2O"	-35.012676
"1397619"	105.0453	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H-H2O"	-17.0027
"296577"	245.103276	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+H"	1.007276
"680254"	367.151276	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+H"	1.007276
"1355509"	123.055276	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H"	1.007276
"130585"	123.055276	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+2H"	2.014552
"571242"	184.079276	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+2H"	2.014552
"1043320"	62.031276	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2H"	2.014552
"213407"	82.3726093333333	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+3H"	3.021828
"648594"	123.055276	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+3H"	3.021828
"1163439"	41.6899426666667	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+3H"	3.021828
"433275"	262.129823	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+NH4"	18.033823
"793175"	384.177823	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+NH4"	18.033823
"1689506"	140.081823	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+NH4"	18.033823
"336690"	131.5685495	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+H+NH4"	19.041099
"730207"	192.5925495	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+H+NH4"	19.041099
"1481840"	70.5445495	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H+NH4"	19.041099
"399428"	267.085218	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+Na"	22.989218
"761518"	389.133218	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+Na"	22.989218
"1609616"	145.037218	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Na"	22.989218
"318560"	134.046247	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+H+Na"	23.996494
"713171"	195.070247	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+H+Na"	23.996494
"1464810"	73.022247	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H+Na"	23.996494
"1059143"	49.0172566666667	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2H+Na"	25.00377
"1260827"	155.081486	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+CH3OH+H"	33.033486
"382680"	283.059158	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+K"	38.963158
"742579"	405.107158	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+K"	38.963158
"1550836"	161.011158	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+K"	38.963158
"310568"	142.033217	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+H+K"	39.970434
"704080"	203.057217	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+H+K"	39.970434
"1458627"	81.009217	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H+K"	39.970434
"246500"	286.129826	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+ACN+H"	42.033826
"1223219"	164.081826	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+ACN+H"	42.033826
"1205279"	82.544551	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+ACN+2H"	43.041102
"198157"	289.06716	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+2Na-H"	44.97116
"638812"	411.11516	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+2Na-H"	44.97116
"1140861"	167.01916	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2Na-H"	44.97116
"185971"	145.037218	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+2Na"	45.978436
"619331"	206.061218	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+2Na"	45.978436
"1122470"	84.013218	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2Na"	45.978436
"1404535"	56.3445706666667	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H+2Na"	46.985712
"1434099"	169.060746	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H+HCOOH"	47.012746
"226350"	150.07024	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+3H2O+2H"	56.04448
"1513683"	183.11279	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+IsoProp+H"	61.06479
"413371"	153.024188	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+Na+K"	61.952376
"780203"	214.048188	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+Na+K"	61.952376
"1671431"	92.000188	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Na+K"	61.952376
"253330"	308.111768	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+ACN+Na"	64.015768
"1226281"	186.063768	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+ACN+Na"	64.015768
"1714190"	186.087293	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+NH4+HCOOH"	64.039293
"1180515"	63.6718846666667	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+3Na"	68.967654
"1650414"	191.042688	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Na+HCOOH"	68.994688
"162751"	321.01504	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+2K-H"	76.91904
"600125"	443.06304	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+2K-H"	76.91904
"1094481"	198.96704	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2K-H"	76.91904
"145829"	161.011158	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"2M+2K"	77.926316
"593776"	222.035158	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"3M+2K"	77.926316
"1077557"	99.987158	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2K"	77.926316
"1111137"	200.981592	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2K+H"	78.933592
"1346791"	201.069207	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+DMSO+H"	79.021207
"1015687"	205.108376	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2ACN+H"	83.060376
"1535995"	206.102008	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+IsoProp+Na+H"	84.054008
"996978"	103.057826	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+2ACN+2H"	84.067652
"1599137"	207.016628	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+K+HCOOH"	84.968628
"1426983"	237.048138	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+H+CF3COOH"	115.000138
"1157273"	123.571101	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+3ACN+2H"	125.094202
"1705730"	254.074685	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+NH4+CF3COOH"	132.026685
"1637007"	259.03008	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+Na+CF3COOH"	136.98208
"1574845"	275.00402	"C02421"	"Isonicotineamide;Isonicotinamide"	"C6H6N2O"	"122.048"	"M+K+CF3COOH"	152.95602
"808497"	90.0317	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M"	0
"985308"	71.01331	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-H2O-H"	-19.01839
"73549"	59.0138573333333	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M-3H"	-3.021828
"506551"	89.024424	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M-3H"	-3.021828
"889818"	29.0032906666667	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-3H"	-3.021828
"10580"	89.024424	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H"	-2.014552
"444675"	134.040274	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H"	-2.014552
"822476"	44.008574	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-2H"	-2.014552
"83561"	179.056124	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M-H"	-1.007276
"529690"	269.087824	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M-H"	-1.007276
"897648"	89.024424	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-H"	-1.007276
"55304"	196.082671	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H+NH4"	16.019271
"490489"	286.114371	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H+NH4"	16.019271
"866104"	106.050971	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-2H+NH4"	16.019271
"38384"	201.038066	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H+Na"	20.974666
"477946"	291.069766	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H+Na"	20.974666
"853559"	111.006366	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-2H+Na"	20.974666
"1620907"	111.006366	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Na-2H"	20.974666
"97436"	107.012763	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M-H+Cl"	33.962126
"534261"	152.028613	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M-H+Cl"	33.962126
"929779"	61.996913	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-H+Cl"	33.962126
"271618"	215.032802	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+Cl"	34.969402
"662215"	305.064502	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+Cl"	34.969402
"1273644"	125.001102	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl"	34.969402
"16482"	217.012006	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M-2H+K"	36.948606
"455682"	307.043706	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M-2H+K"	36.948606
"835996"	126.980306	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-2H+K"	36.948606
"1563863"	126.980306	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+K-2H"	36.948606
"945185"	135.029894	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-H+HCOOH"	44.998194
"362305"	225.061601	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+HCOOH-H"	44.998201
"348008"	239.077251	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+Hac-H"	59.013851
"1494289"	149.045551	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Hac-H"	59.013851
"958868"	157.011851	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-H+NaCOOH"	66.980151
"109992"	125.001102	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+2Cl"	69.938804
"553213"	170.016952	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+2Cl"	69.938804
"1026021"	79.985252	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2Cl"	69.938804
"1242319"	168.950585	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Br"	78.918885
"1308785"	171.006572	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl+HCOOH"	80.974872
"1327012"	192.988529	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl+NaCOOH"	102.956829
"915884"	203.017286	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M-H+CF3COOH"	112.985586
"1296967"	238.993964	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Cl+CF3COOH"	148.962264
"1379505"	55.019024	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H-2H2O"	-35.012676
"1392628"	73.029	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H-H2O"	-17.0027
"289033"	181.070676	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+H"	1.007276
"682554"	271.102376	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+H"	1.007276
"1352341"	91.038976	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H"	1.007276
"131789"	91.038976	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+2H"	2.014552
"571350"	136.054826	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+2H"	2.014552
"1041242"	46.023126	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2H"	2.014552
"211331"	61.0284093333333	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+3H"	3.021828
"648704"	91.038976	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+3H"	3.021828
"1170113"	31.0178426666667	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+3H"	3.021828
"432292"	198.097223	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+NH4"	18.033823
"788912"	288.128923	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+NH4"	18.033823
"1688522"	108.065523	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+NH4"	18.033823
"336803"	99.5522495	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+H+NH4"	19.041099
"730318"	144.5680995	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+H+NH4"	19.041099
"1484137"	54.5363995	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H+NH4"	19.041099
"398445"	203.052618	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+Na"	22.989218
"763815"	293.084318	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+Na"	22.989218
"1608632"	113.020918	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Na"	22.989218
"316486"	102.029947	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+H+Na"	23.996494
"713284"	147.045797	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+H+Na"	23.996494
"1465282"	57.014097	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H+Na"	23.996494
"1055612"	38.3451566666667	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2H+Na"	25.00377
"1258017"	123.065186	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+CH3OH+H"	33.033486
"380600"	219.026558	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+K"	38.963158
"750357"	309.058258	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+K"	38.963158
"1551314"	128.994858	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+K"	38.963158
"307398"	110.016917	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+H+K"	39.970434
"703096"	155.032767	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+H+K"	39.970434
"1455824"	65.001067	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H+K"	39.970434
"245521"	222.097226	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+ACN+H"	42.033826
"1218227"	132.065526	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+ACN+H"	42.033826
"1204295"	66.536401	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+ACN+2H"	43.041102
"196802"	225.03456	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+2Na-H"	44.97116
"636730"	315.06626	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+2Na-H"	44.97116
"1143518"	135.00286	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2Na-H"	44.97116
"176235"	113.020918	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+2Na"	45.978436
"615065"	158.036768	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+2Na"	45.978436
"1118570"	68.005068	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2Na"	45.978436
"1402823"	45.6724706666667	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H+2Na"	46.985712
"1432391"	137.044446	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H+HCOOH"	47.012746
"223181"	118.05394	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+3H2O+2H"	56.04448
"1518900"	151.09649	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+IsoProp+H"	61.06479
"416402"	121.007888	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+Na+K"	61.952376
"778493"	166.023738	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+Na+K"	61.952376
"1668257"	75.992038	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Na+K"	61.952376
"254779"	244.079168	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+ACN+Na"	64.015768
"1226391"	154.047468	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+ACN+Na"	64.015768
"1713816"	154.070993	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+NH4+HCOOH"	64.039293
"1178847"	52.9997846666667	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+3Na"	68.967654
"1660378"	159.026388	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Na+HCOOH"	68.994688
"167238"	256.98244	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+2K-H"	76.91904
"608984"	347.01414	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+2K-H"	76.91904
"1092404"	166.95074	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2K-H"	76.91904
"145939"	128.994858	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"2M+2K"	77.926316
"591700"	174.010708	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"3M+2K"	77.926316
"1078762"	83.979008	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2K"	77.926316
"1107597"	168.965292	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2K+H"	78.933592
"1343986"	169.052907	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+DMSO+H"	79.021207
"1015791"	173.092076	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2ACN+H"	83.060376
"1534648"	174.085708	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+IsoProp+Na+H"	84.054008
"998180"	87.049676	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+2ACN+2H"	84.067652
"1593780"	175.000328	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+K+HCOOH"	84.968628
"1424906"	205.031838	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+H+CF3COOH"	115.000138
"1161755"	107.562951	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+3ACN+2H"	125.094202
"1702559"	222.058385	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+NH4+CF3COOH"	132.026685
"1637481"	227.01378	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+Na+CF3COOH"	136.98208
"1573864"	242.98772	"C02426"	"L-Glyceraldehyde;L-23-Dihydroxypropionaldehyde;L-23-Dihydroxypropanal;L-Glycerose;L-Aldotriose"	"C3H6O3"	"90.0317"	"M+K+CF3COOH"	152.95602
"814074"	189.1113	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M"	0
"982138"	170.09291	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-H2O-H"	-19.01839
"77793"	125.066924	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M-3H"	-3.021828
"508847"	188.104024	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M-3H"	-3.021828
"892115"	62.029824	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-3H"	-3.021828
"7410"	188.104024	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M-2H"	-2.014552
"445878"	282.659674	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M-2H"	-2.014552
"821492"	93.548374	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-2H"	-2.014552
"81484"	377.215324	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M-H"	-1.007276
"529800"	566.326624	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M-H"	-1.007276
"899945"	188.104024	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-H"	-1.007276
"55414"	394.241871	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M-2H+NH4"	16.019271
"491692"	583.353171	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M-2H+NH4"	16.019271
"868400"	205.130571	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-2H+NH4"	16.019271
"39588"	399.197266	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M-2H+Na"	20.974666
"480243"	588.308566	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M-2H+Na"	20.974666
"855127"	210.085966	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-2H+Na"	20.974666
"1623204"	210.085966	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Na-2H"	20.974666
"104107"	206.092363	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M-H+Cl"	33.962126
"540020"	300.648013	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M-H+Cl"	33.962126
"933900"	111.536713	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-H+Cl"	33.962126
"276832"	413.192002	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+Cl"	34.969402
"664513"	602.303302	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+Cl"	34.969402
"1278009"	224.080702	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Cl"	34.969402
"19835"	415.171206	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M-2H+K"	36.948606
"458666"	604.282506	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M-2H+K"	36.948606
"835012"	226.059906	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-2H+K"	36.948606
"1562880"	226.059906	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+K-2H"	36.948606
"948576"	234.109494	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-H+HCOOH"	44.998194
"361545"	423.220801	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+HCOOH-H"	44.998201
"347026"	437.236451	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+Hac-H"	59.013851
"1493181"	248.125151	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Hac-H"	59.013851
"960844"	256.091451	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-H+NaCOOH"	66.980151
"112667"	224.080702	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+2Cl"	69.938804
"554781"	318.636352	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+2Cl"	69.938804
"1026497"	129.525052	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2Cl"	69.938804
"1244619"	268.030185	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Br"	78.918885
"1309258"	270.086172	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Cl+HCOOH"	80.974872
"1327122"	292.068129	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Cl+NaCOOH"	102.956829
"919274"	302.096886	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M-H+CF3COOH"	112.985586
"1297077"	338.073564	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Cl+CF3COOH"	148.962264
"1379615"	154.098624	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H-2H2O"	-35.012676
"1392738"	172.1086	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H-H2O"	-17.0027
"293517"	379.229876	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+H"	1.007276
"682664"	568.341176	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+H"	1.007276
"1356826"	190.118576	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H"	1.007276
"130807"	190.118576	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+2H"	2.014552
"572554"	284.674226	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+2H"	2.014552
"1040259"	95.562926	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2H"	2.014552
"209254"	127.081476	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+3H"	3.021828
"648085"	190.118576	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+3H"	3.021828
"1170223"	64.044376	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+3H"	3.021828
"434589"	396.256423	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+NH4"	18.033823
"792303"	585.367723	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+NH4"	18.033823
"1690820"	207.145123	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+NH4"	18.033823
"338006"	198.6318495	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+H+NH4"	19.041099
"732615"	293.1874995	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+H+NH4"	19.041099
"1484249"	104.0761995	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H+NH4"	19.041099
"401835"	401.211818	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+Na"	22.989218
"765018"	590.323118	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+Na"	22.989218
"1609835"	212.100518	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Na"	22.989218
"320964"	201.109547	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+H+Na"	23.996494
"714487"	295.665197	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+H+Na"	23.996494
"1463933"	106.553897	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H+Na"	23.996494
"1056087"	71.37169	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2H+Na"	25.00377
"1259949"	222.144786	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+CH3OH+H"	33.033486
"379617"	417.185758	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+K"	38.963158
"750466"	606.297058	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+K"	38.963158
"1549238"	228.074458	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+K"	38.963158
"310789"	209.096517	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+H+K"	39.970434
"701021"	303.652167	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+H+K"	39.970434
"1457029"	114.540867	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H+K"	39.970434
"244537"	420.256426	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+ACN+H"	42.033826
"1217244"	231.145126	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+ACN+H"	42.033826
"1202219"	116.076201	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+ACN+2H"	43.041102
"196183"	423.19376	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+2Na-H"	44.97116
"636840"	612.30506	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+2Na-H"	44.97116
"1143628"	234.08246	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2Na-H"	44.97116
"180356"	212.100518	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+2Na"	45.978436
"616269"	306.656168	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+2Na"	45.978436
"1119774"	117.544868	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2Na"	45.978436
"1403297"	78.699004	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H+2Na"	46.985712
"1433958"	236.124046	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H+HCOOH"	47.012746
"226571"	217.13354	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+3H2O+2H"	56.04448
"1521197"	250.17609	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+IsoProp+H"	61.06479
"419793"	220.087488	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+Na+K"	61.952376
"779696"	314.643138	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+Na+K"	61.952376
"1676023"	125.531838	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Na+K"	61.952376
"258167"	442.238368	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+ACN+Na"	64.015768
"1234157"	253.127068	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+ACN+Na"	64.015768
"1720855"	253.150593	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+NH4+HCOOH"	64.039293
"1180743"	86.026318	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+3Na"	68.967654
"1656116"	258.105988	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Na+HCOOH"	68.994688
"160791"	455.14164	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+2K-H"	76.91904
"603994"	644.25294	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+2K-H"	76.91904
"1089234"	266.03034	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2K-H"	76.91904
"148236"	228.074458	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"2M+2K"	77.926316
"586707"	322.630108	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"3M+2K"	77.926316
"1073405"	133.518808	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2K"	77.926316
"1104427"	268.044892	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2K+H"	78.933592
"1340814"	268.132507	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+DMSO+H"	79.021207
"1010435"	272.171676	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2ACN+H"	83.060376
"1534393"	273.165308	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+IsoProp+Na+H"	84.054008
"993917"	136.589476	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+2ACN+2H"	84.067652
"1591704"	274.079928	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+K+HCOOH"	84.968628
"1421736"	304.111438	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+H+CF3COOH"	115.000138
"1158585"	157.102751	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+3ACN+2H"	125.094202
"1702669"	321.137985	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+NH4+CF3COOH"	132.026685
"1637227"	326.09338	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+Na+CF3COOH"	136.98208
"1576161"	342.06732	"C02427"	"L-Homocitrulline"	"C7H15N3O3"	"189.1113"	"M+K+CF3COOH"	152.95602
"814916"	164.0685	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M"	0
"981158"	145.05011	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"70493"	108.371724	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"506772"	163.061224	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"891140"	53.682224	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"9713"	163.061224	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"447086"	245.095474	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"829268"	81.026974	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"91446"	327.129724	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"528820"	491.198224	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"903340"	163.061224	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"58443"	344.156271	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"499466"	508.224771	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"877634"	180.087771	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"42981"	349.111666	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"483639"	513.180166	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"861438"	185.043166	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1627690"	185.043166	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"100939"	181.049563	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"545966"	263.083813	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"935107"	99.015313	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"275850"	363.106402	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"666085"	527.174902	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1278120"	199.037902	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"28703"	365.085606	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"462797"	529.154106	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"837318"	201.017106	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1557525"	201.017106	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"945404"	209.066694	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"365806"	373.135201	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"347862"	387.150851	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1497057"	223.082351	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"962777"	231.048651	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"111683"	199.037902	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"554537"	281.072152	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1033181"	117.003652	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1245102"	242.987385	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1306089"	245.043372	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1331608"	267.025329	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"922671"	277.054086	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1295007"	313.030764	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1376448"	129.055824	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1395045"	147.0658	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"293636"	329.144276	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"689340"	493.212776	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1364960"	165.075776	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"132014"	165.075776	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"578866"	247.110026	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1045841"	83.041526	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"216296"	110.386276	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"648931"	165.075776	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1172523"	55.696776	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"433607"	346.170823	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"791684"	510.239323	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1690930"	182.102323	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"340669"	173.5890495	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"732723"	255.6232995	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1483630"	91.5547995	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"399761"	351.126218	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"762943"	515.194718	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1608860"	187.057718	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"322179"	176.066747	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"714600"	258.100997	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1467327"	94.032497	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1057289"	63.02409	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1262263"	197.101986	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"381931"	367.100158	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"746202"	531.168658	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1551535"	203.031658	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"309803"	184.053717	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"703318"	266.087967	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1456046"	102.019467	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"245740"	370.170826	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1219540"	206.102326	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1202332"	103.554801	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"195204"	373.10816	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"633667"	537.17666	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1138270"	209.03966	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"177550"	187.057718	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"616014"	269.091968	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1130098"	105.023468	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1411437"	70.351404	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1441363"	211.081246	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"229968"	192.09074	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1519124"	225.13329	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"419902"	195.044688	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"777616"	277.078938	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1668843"	113.010438	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"255364"	392.152768	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1234272"	228.084268	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1716968"	228.107793	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1183055"	77.678718	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1655131"	233.063188	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"159807"	405.05604	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"599369"	569.12454	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1084689"	240.98754	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"148350"	203.031658	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"587911"	285.065908	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1070357"	120.997408	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1105632"	243.002092	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1338740"	243.089707	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1011644"	247.128876	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1524328"	248.122508	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"995123"	124.068076	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1590720"	249.037128	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1417474"	279.068638	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1152135"	144.581351	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1700600"	296.095185	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1643903"	301.05058	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1575179"	317.02452	"C02431"	"L-Rhamnofuranose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"816815"	125.0477	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M"	0
"989785"	106.02931	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-H2O-H"	-19.01839
"76078"	82.3578573333333	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M-3H"	-3.021828
"515637"	124.040424	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M-3H"	-3.021828
"893443"	40.6752906666667	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-3H"	-3.021828
"14204"	124.040424	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M-2H"	-2.014552
"453764"	186.564274	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M-2H"	-2.014552
"831566"	61.516574	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-2H"	-2.014552
"93830"	249.088124	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M-H"	-1.007276
"533186"	374.135824	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M-H"	-1.007276
"910262"	124.040424	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-H"	-1.007276
"61962"	266.114671	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M-2H+NH4"	16.019271
"501161"	391.162371	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M-2H+NH4"	16.019271
"878599"	141.066971	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-2H+NH4"	16.019271
"45647"	271.070066	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M-2H+Na"	20.974666
"482654"	396.117766	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M-2H+Na"	20.974666
"857175"	146.022366	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-2H+Na"	20.974666
"1628898"	146.022366	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Na-2H"	20.974666
"101052"	142.028763	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M-H+Cl"	33.962126
"542800"	204.552613	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M-H+Cl"	33.962126
"937410"	79.504913	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-H+Cl"	33.962126
"280340"	285.064802	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+Cl"	34.969402
"668389"	410.112502	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+Cl"	34.969402
"1282979"	160.017102	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Cl"	34.969402
"26628"	287.044006	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M-2H+K"	36.948606
"462907"	412.091706	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M-2H+K"	36.948606
"837427"	161.996306	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-2H+K"	36.948606
"1557996"	161.996306	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+K-2H"	36.948606
"943691"	170.045894	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-H+HCOOH"	44.998194
"362265"	295.093601	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+HCOOH-H"	44.998201
"345917"	309.109251	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+Hac-H"	59.013851
"1505932"	184.061551	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Hac-H"	59.013851
"970194"	192.027851	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-H+NaCOOH"	66.980151
"121288"	160.017102	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+2Cl"	69.938804
"564253"	222.540952	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+2Cl"	69.938804
"1032199"	97.493252	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2Cl"	69.938804
"1248500"	203.966585	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Br"	78.918885
"1317150"	206.022572	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Cl+HCOOH"	80.974872
"1333194"	228.004529	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Cl+NaCOOH"	102.956829
"922430"	238.033286	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M-H+CF3COOH"	112.985586
"1297314"	274.009964	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Cl+CF3COOH"	148.962264
"1376568"	90.035024	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H-2H2O"	-35.012676
"1397834"	108.045	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H-H2O"	-17.0027
"296665"	251.102676	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+H"	1.007276
"688729"	376.150376	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+H"	1.007276
"1365803"	126.054976	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H"	1.007276
"138332"	126.054976	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+2H"	2.014552
"578981"	188.578826	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+2H"	2.014552
"1052157"	63.531126	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2H"	2.014552
"218234"	84.3724093333333	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+3H"	3.021828
"658160"	126.054976	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+3H"	3.021828
"1175190"	42.6898426666667	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+3H"	3.021828
"437733"	268.129223	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+NH4"	18.033823
"796540"	393.176923	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+NH4"	18.033823
"1695059"	143.081523	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+NH4"	18.033823
"345333"	134.5682495	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+H+NH4"	19.041099
"736854"	197.0920995	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+H+NH4"	19.041099
"1485576"	72.0443995	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H+NH4"	19.041099
"402068"	273.084618	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+Na"	22.989218
"764157"	398.132318	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+Na"	22.989218
"1615536"	148.036918	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Na"	22.989218
"325573"	137.045947	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+H+Na"	23.996494
"717636"	199.569797	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+H+Na"	23.996494
"1471822"	74.522097	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H+Na"	23.996494
"1061785"	50.0171566666667	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2H+Na"	25.00377
"1266745"	158.081186	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+CH3OH+H"	33.033486
"387506"	289.058558	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+K"	38.963158
"750687"	414.106258	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+K"	38.963158
"1550551"	164.010858	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+K"	38.963158
"311006"	145.032917	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+H+K"	39.970434
"701242"	207.556767	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+H+K"	39.970434
"1457248"	82.509067	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H+K"	39.970434
"242573"	292.129226	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+ACN+H"	42.033826
"1218561"	167.081526	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+ACN+H"	42.033826
"1203539"	84.044401	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+ACN+2H"	43.041102
"202244"	295.06656	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+2Na-H"	44.97116
"640344"	420.11426	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+2Na-H"	44.97116
"1143850"	170.01886	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2Na-H"	44.97116
"179486"	148.036918	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+2Na"	45.978436
"617226"	210.560768	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+2Na"	45.978436
"1120367"	85.513068	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2Na"	45.978436
"1404255"	57.3444706666667	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H+2Na"	46.985712
"1436371"	172.060446	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H+HCOOH"	47.012746
"220963"	153.06994	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+3H2O+2H"	56.04448
"1508660"	186.11249	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+IsoProp+H"	61.06479
"413454"	156.023888	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+Na+K"	61.952376
"776640"	218.547738	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+Na+K"	61.952376
"1671516"	93.500038	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Na+K"	61.952376
"257671"	314.111168	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+ACN+Na"	64.015768
"1232202"	189.063468	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+ACN+Na"	64.015768
"1715624"	189.086993	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+NH4+HCOOH"	64.039293
"1185353"	64.6717846666667	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+3Na"	68.967654
"1655245"	194.042388	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Na+HCOOH"	68.994688
"165387"	327.01444	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+2K-H"	76.91904
"598143"	452.06214	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+2K-H"	76.91904
"1088368"	201.96674	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2K-H"	76.91904
"147371"	164.010858	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"2M+2K"	77.926316
"583163"	226.534708	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"3M+2K"	77.926316
"1070592"	101.487008	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2K"	77.926316
"1104657"	203.981292	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2K+H"	78.933592
"1338853"	204.068907	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+DMSO+H"	79.021207
"1006161"	208.108076	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2ACN+H"	83.060376
"1525383"	209.101708	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+IsoProp+Na+H"	84.054008
"991349"	104.557676	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+2ACN+2H"	84.067652
"1589744"	210.016328	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+K+HCOOH"	84.968628
"1420871"	240.047838	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+H+CF3COOH"	115.000138
"1154441"	125.070951	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+3ACN+2H"	125.094202
"1706179"	257.074385	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+NH4+CF3COOH"	132.026685
"1645109"	262.02978	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+Na+CF3COOH"	136.98208
"1574198"	278.00372	"C02441"	"N-Ethylmaleimide"	"C6H7NO2"	"125.0477"	"M+K+CF3COOH"	152.95602
"816115"	151.0997	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M"	0
"985760"	132.08131	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"74001"	99.7258573333333	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"513560"	150.092424	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"893553"	49.3592906666667	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"11034"	150.092424	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"448407"	225.642274	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"828396"	74.542574	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"91669"	301.192124	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"533296"	452.291824	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"907939"	150.092424	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"62072"	318.218671	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"502769"	469.318371	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"879799"	167.118971	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"46569"	323.174066	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"481673"	474.273766	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"860203"	172.074366	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1627915"	172.074366	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"104445"	168.080763	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"541817"	243.630613	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"942019"	92.530913	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"282276"	337.168802	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"674454"	488.268502	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1285276"	186.069102	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"26738"	339.148006	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"464111"	490.247706	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"839725"	188.048306	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1559931"	188.048306	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"947812"	196.097894	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"364202"	347.197601	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"346134"	361.213251	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1504219"	210.113551	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"972127"	218.079851	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"121762"	186.069102	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"562416"	261.618952	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1032309"	110.519252	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1252987"	230.018585	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1318481"	232.074572	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1334400"	254.056529	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"926516"	264.085286	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1303262"	300.061964	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1380325"	116.087024	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1396728"	134.097	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"294953"	303.206676	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"689932"	454.306376	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1362999"	152.106976	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"137714"	152.106976	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"578366"	227.656826	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1050811"	76.557126	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"219075"	101.740409333333	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"657541"	152.106976	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1174572"	51.3738426666667	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"437116"	320.233223	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"796650"	471.332923	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1693346"	169.133523	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"344795"	160.6202495	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"737329"	236.1700995	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1486775"	85.0703995	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"406917"	325.188618	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"765361"	476.288318	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1615646"	174.088918	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"325687"	163.097947	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"720297"	238.647797	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1473026"	87.548097	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1067366"	58.7011566666667	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1272081"	184.133186	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"392238"	341.162558	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"752985"	492.262258	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1554916"	190.062858	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"311119"	171.084917	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"705727"	246.634767	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1456266"	95.535067	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"242683"	344.233226	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1217578"	193.133526	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1205836"	97.070401	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"203205"	347.17056	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"640454"	498.27026	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1140680"	196.07086	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"182877"	174.088918	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"619160"	249.638768	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1122666"	98.539068	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1401814"	66.0284706666667	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1438305"	198.112446	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"221803"	179.12194	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1512418"	212.16449	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"413199"	182.075888	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"774563"	257.625738	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1675272"	106.526038	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"260698"	366.215168	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1232313"	215.115468	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1723392"	215.138993	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1189838"	73.3557846666667	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1661917"	220.094388	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"167685"	379.11844	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"606154"	530.21814	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1093582"	228.01874	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"150763"	190.062858	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"587044"	265.612708	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1077021"	114.513008	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1101728"	230.033292	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1338234"	230.120907	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1008586"	234.160076	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1526710"	235.153708	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"993161"	117.583676	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1595322"	236.068328	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1420981"	266.099838	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1158924"	138.096951	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1704101"	283.126385	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1636471"	288.08178	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1572483"	304.05572	"C02442"	"N-Methyltyramine"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"815616"	156.115	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M"	0
"983682"	137.09661	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-H2O-H"	-19.01839
"68645"	103.069390666667	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M-3H"	-3.021828
"508205"	155.107724	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M-3H"	-3.021828
"880539"	51.0310573333333	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-3H"	-3.021828
"3489"	155.107724	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M-2H"	-2.014552
"446331"	233.165224	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M-2H"	-2.014552
"826319"	77.050224	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-2H"	-2.014552
"86313"	311.222724	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M-H"	-1.007276
"528063"	467.337724	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M-H"	-1.007276
"908051"	155.107724	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-H"	-1.007276
"59144"	328.249271	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M-2H+NH4"	16.019271
"501137"	484.364271	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M-2H+NH4"	16.019271
"877235"	172.134271	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-2H+NH4"	16.019271
"45139"	333.204666	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M-2H+Na"	20.974666
"482146"	489.319666	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M-2H+Na"	20.974666
"856305"	177.089666	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-2H+Na"	20.974666
"1631309"	177.089666	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Na-2H"	20.974666
"107837"	173.096063	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M-H+Cl"	33.962126
"544118"	251.153563	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M-H+Cl"	33.962126
"934353"	95.038563	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-H+Cl"	33.962126
"275096"	347.199402	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+Cl"	34.969402
"664236"	503.314402	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+Cl"	34.969402
"1276639"	191.084402	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Cl"	34.969402
"20289"	349.178606	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M-2H+K"	36.948606
"464221"	505.293606	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M-2H+K"	36.948606
"833353"	193.063606	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-2H+K"	36.948606
"1557854"	193.063606	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+K-2H"	36.948606
"943223"	201.113194	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-H+HCOOH"	44.998194
"362617"	357.228201	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+HCOOH-H"	44.998201
"355498"	371.243851	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+Hac-H"	59.013851
"1506521"	215.128851	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Hac-H"	59.013851
"966405"	223.095151	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-H+NaCOOH"	66.980151
"116407"	191.084402	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+2Cl"	69.938804
"561435"	269.141902	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+2Cl"	69.938804
"1036562"	113.026902	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2Cl"	69.938804
"1256389"	235.033885	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Br"	78.918885
"1319203"	237.089872	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Cl+HCOOH"	80.974872
"1333051"	259.071829	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Cl+NaCOOH"	102.956829
"923745"	269.100586	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M-H+CF3COOH"	112.985586
"1301548"	305.077264	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Cl+CF3COOH"	148.962264
"1381165"	121.102324	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H-2H2O"	-35.012676
"1396843"	139.1123	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H-H2O"	-17.0027
"295796"	313.237276	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+H"	1.007276
"686032"	469.352276	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+H"	1.007276
"1360557"	157.122276	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H"	1.007276
"138188"	157.122276	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+2H"	2.014552
"578475"	235.179776	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+2H"	2.014552
"1048365"	79.064776	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2H"	2.014552
"219186"	105.083942666667	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+3H"	3.021828
"657409"	157.122276	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+3H"	3.021828
"1174317"	53.0456093333333	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+3H"	3.021828
"437590"	330.263823	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+NH4"	18.033823
"798223"	486.378823	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+NH4"	18.033823
"1696140"	174.148823	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+NH4"	18.033823
"343203"	165.6355495	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+H+NH4"	19.041099
"736711"	243.6930495	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+H+NH4"	19.041099
"1489075"	87.5780495	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H+NH4"	19.041099
"403382"	335.219218	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+Na"	22.989218
"763283"	491.334218	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+Na"	22.989218
"1614666"	179.104218	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Na"	22.989218
"324705"	168.113247	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+H+Na"	23.996494
"721137"	246.170747	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+H+Na"	23.996494
"1475930"	90.055747	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H+Na"	23.996494
"1065286"	60.3729233333333	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2H+Na"	25.00377
"1272231"	189.148486	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+CH3OH+H"	33.033486
"391735"	351.193158	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+K"	38.963158
"750908"	507.308158	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+K"	38.963158
"1551865"	195.078158	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+K"	38.963158
"309043"	176.100217	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+H+K"	39.970434
"702557"	254.157717	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+H+K"	39.970434
"1455287"	98.042717	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H+K"	39.970434
"248261"	354.263826	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+ACN+H"	42.033826
"1222430"	198.148826	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+ACN+H"	42.033826
"1206681"	99.578051	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+ACN+2H"	43.041102
"201614"	357.20116	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+2Na-H"	44.97116
"640566"	513.31616	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+2Na-H"	44.97116
"1137510"	201.08616	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2Na-H"	44.97116
"181899"	179.104218	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+2Na"	45.978436
"619272"	257.161718	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+2Na"	45.978436
"1120953"	101.046718	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2Na"	45.978436
"1402288"	67.7002373333333	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H+2Na"	46.985712
"1430881"	203.127746	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H+HCOOH"	47.012746
"221787"	184.13724	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+3H2O+2H"	56.04448
"1510710"	217.17979	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+IsoProp+H"	61.06479
"414774"	187.091188	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+Na+K"	61.952376
"780878"	265.148688	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+Na+K"	61.952376
"1676478"	109.033688	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Na+K"	61.952376
"257893"	376.245768	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+ACN+Na"	64.015768
"1236804"	220.130768	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+ACN+Na"	64.015768
"1723503"	220.154293	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+NH4+HCOOH"	64.039293
"1189949"	75.0275513333333	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+3Na"	68.967654
"1659842"	225.109688	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Na+HCOOH"	68.994688
"166702"	389.14904	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+2K-H"	76.91904
"602986"	545.26404	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+2K-H"	76.91904
"1091870"	233.03404	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2K-H"	76.91904
"147593"	195.078158	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"2M+2K"	77.926316
"583508"	273.135658	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"3M+2K"	77.926316
"1068990"	117.020658	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2K"	77.926316
"1101595"	235.048592	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2K+H"	78.933592
"1339073"	235.136207	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+DMSO+H"	79.021207
"1007116"	239.175376	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2ACN+H"	83.060376
"1529011"	240.169008	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+IsoProp+Na+H"	84.054008
"996553"	120.091326	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+2ACN+2H"	84.067652
"1596526"	241.083628	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+K+HCOOH"	84.968628
"1422184"	271.115138	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+H+CF3COOH"	115.000138
"1153568"	140.604601	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+3ACN+2H"	125.094202
"1706400"	288.141685	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+NH4+CF3COOH"	132.026685
"1643142"	293.09708	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+Na+CF3COOH"	136.98208
"1573327"	309.07102	"C02445"	"Nonane-46-dione"	"C9H16O2"	"156.115"	"M+K+CF3COOH"	152.95602
"809164"	849.1571	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M"	0
"977229"	830.13871	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H2O-H"	-19.01839
"72031"	565.097457333333	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-3H"	-3.021828
"503449"	848.149824	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-3H"	-3.021828
"885022"	282.045090666667	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-3H"	-3.021828
"4692"	848.149824	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H"	-2.014552
"448631"	1272.728374	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H"	-2.014552
"826431"	423.571274	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H"	-2.014552
"89703"	1697.306924	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H"	-1.007276
"523799"	2546.464024	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H"	-1.007276
"907068"	848.149824	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H"	-1.007276
"55973"	1714.333471	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+NH4"	16.019271
"489702"	2563.490571	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+NH4"	16.019271
"867507"	865.176371	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+NH4"	16.019271
"36499"	1719.288866	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+Na"	20.974666
"474600"	2568.445966	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+Na"	20.974666
"854227"	870.131766	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+Na"	20.974666
"1627044"	870.131766	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na-2H"	20.974666
"95310"	866.138163	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H+Cl"	33.962126
"536572"	1290.716713	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H+Cl"	33.962126
"928021"	441.559613	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+Cl"	33.962126
"268644"	1733.283602	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Cl"	34.969402
"664345"	2582.440702	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Cl"	34.969402
"1276747"	884.126502	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl"	34.969402
"20396"	1735.262806	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+K"	36.948606
"461048"	2584.419906	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+K"	36.948606
"833384"	886.105706	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+K"	36.948606
"1559063"	886.105706	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K-2H"	36.948606
"946945"	894.155294	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+HCOOH"	44.998194
"372459"	1743.312401	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+HCOOH-H"	44.998201
"359259"	1757.328051	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Hac-H"	59.013851
"1508221"	908.170951	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Hac-H"	59.013851
"973940"	916.137251	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+NaCOOH"	66.980151
"125156"	884.126502	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Cl"	69.938804
"564115"	1308.705052	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Cl"	69.938804
"1036438"	459.547952	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Cl"	69.938804
"1256500"	928.075985	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Br"	78.918885
"1318948"	930.131972	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+HCOOH"	80.974872
"1335351"	952.113929	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+NaCOOH"	102.956829
"926045"	962.142686	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+CF3COOH"	112.985586
"1302383"	998.119364	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+CF3COOH"	148.962264
"1375442"	814.144424	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-2H2O"	-35.012676
"1388929"	832.1544	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-H2O"	-17.0027
"295182"	1699.321476	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H"	1.007276
"683224"	2548.478576	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H"	1.007276
"1362852"	850.164376	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H"	1.007276
"134649"	850.164376	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2H"	2.014552
"576398"	1274.742926	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2H"	2.014552
"1048843"	425.585826	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H"	2.014552
"217845"	567.112009333333	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H"	3.021828
"657402"	850.164376	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+3H"	3.021828
"1176986"	284.059642666667	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3H"	3.021828
"437826"	1716.348023	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+NH4"	18.033823
"793958"	2565.505123	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+NH4"	18.033823
"1687010"	867.190923	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4"	18.033823
"336381"	858.6776495	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+NH4"	19.041099
"732455"	1283.2561995	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+NH4"	19.041099
"1489192"	434.0990995	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+NH4"	19.041099
"403863"	1721.303418	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na"	22.989218
"762309"	2570.460518	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na"	22.989218
"1616119"	872.146318	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na"	22.989218
"327006"	861.155347	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+Na"	23.996494
"719065"	1285.733897	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+Na"	23.996494
"1473249"	436.576797	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+Na"	23.996494
"1063579"	291.386956666667	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H+Na"	25.00377
"1269264"	882.190586	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+CH3OH+H"	33.033486
"388569"	1737.277358	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+K"	38.963158
"745559"	2586.434458	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+K"	38.963158
"1549432"	888.120258	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K"	38.963158
"308792"	869.142317	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+K"	39.970434
"696117"	1293.720867	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+K"	39.970434
"1449207"	444.563767	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+K"	39.970434
"238536"	1740.348026	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+H"	42.033826
"1216712"	891.190926	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+H"	42.033826
"1202782"	446.099101	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+2H"	43.041102
"196747"	1743.28536	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na-H"	44.97116
"630466"	2592.44246	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na-H"	44.97116
"1132885"	894.12826	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na-H"	44.97116
"175441"	872.146318	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na"	45.978436
"615006"	1296.724868	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na"	45.978436
"1123988"	447.567768	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na"	45.978436
"1405324"	298.714270666667	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+2Na"	46.985712
"1438173"	896.169846	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+HCOOH"	47.012746
"227143"	877.17934	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H2O+2H"	56.04448
"1514111"	910.22189	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+H"	61.06479
"417077"	880.133288	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na+K"	61.952376
"779896"	1304.711838	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na+K"	61.952376
"1674402"	455.554738	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+K"	61.952376
"260559"	1762.329968	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+Na"	64.015768
"1231444"	913.172868	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+Na"	64.015768
"1725800"	913.196393	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+HCOOH"	64.039293
"1191152"	306.041584666667	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3Na"	68.967654
"1659952"	918.151788	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+HCOOH"	68.994688
"166813"	1775.23324	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K-H"	76.91904
"598355"	2624.39034	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K-H"	76.91904
"1087242"	926.07614	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K-H"	76.91904
"143694"	888.120258	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K"	77.926316
"584711"	1312.698808	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K"	77.926316
"1068726"	463.541708	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K"	77.926316
"1100612"	928.090692	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K+H"	78.933592
"1338090"	928.178307	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+DMSO+H"	79.021207
"1006984"	932.217476	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+H"	83.060376
"1528026"	933.211108	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+Na+H"	84.054008
"995570"	466.612376	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+2H"	84.067652
"1589341"	934.125728	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+HCOOH"	84.968628
"1416827"	964.157238	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+CF3COOH"	115.000138
"1150396"	487.125651	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3ACN+2H"	125.094202
"1698853"	981.183785	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+CF3COOH"	132.026685
"1635598"	986.13918	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+CF3COOH"	136.98208
"1574532"	1002.11312	"C02451"	"Pent-2-enoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+CF3COOH"	152.95602
"809274"	152.1201	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M"	0
"979526"	133.10171	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"68861"	100.406124	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"507331"	151.112824	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"885133"	49.699424	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"2613"	151.112824	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"448740"	227.172874	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"828729"	75.052774	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"89813"	303.232924	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"520992"	455.353024	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908272"	151.112824	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"59364"	320.259471	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"493458"	472.379571	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"868346"	168.139371	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"35514"	325.214866	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"474712"	477.334966	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"854337"	173.094766	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1626061"	173.094766	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"96025"	169.101163	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"536683"	245.161213	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"927481"	93.041113	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"267903"	339.209602	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"664455"	491.329702	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1277951"	187.089502	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"17346"	341.188806	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"456294"	493.308906	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"834585"	189.068706	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1555886"	189.068706	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"943043"	197.118294	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"371837"	349.238401	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"359369"	363.254051	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1507108"	211.133951	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"972834"	219.100251	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"123202"	187.089502	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"564098"	263.149552	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1034474"	111.029452	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1255513"	231.038985	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1319053"	233.094972	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1334121"	255.076929	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"925786"	265.105686	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1297754"	301.082364	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1375916"	117.107424	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1389039"	135.1174	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"294559"	305.247476	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"683334"	457.367576	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1359682"	153.127376	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"132572"	153.127376	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"576506"	229.187426	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1049317"	77.067326	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"217958"	102.420676	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"658241"	153.127376	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1177215"	51.713976	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"436354"	322.274023	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"799171"	474.394123	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1690400"	170.153923	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"336491"	161.6406495	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"730006"	237.7006995	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1484920"	85.5805995	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"406889"	327.229418	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"766428"	479.349518	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1615621"	175.109318	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"327480"	164.118347	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"720756"	240.178397	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1472266"	88.058297	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1062232"	59.04129	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1268282"	185.153586	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"390138"	343.203358	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"745669"	495.323458	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1549542"	191.083258	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"310724"	172.105317	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"704237"	248.165367	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1450047"	96.045267	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"243021"	346.274026	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1217916"	194.153926	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1202892"	97.580601	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"197951"	349.21136	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"629002"	501.33146	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1132995"	197.09126	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"174219"	175.109318	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"615478"	251.169368	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1123005"	99.049268	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1405434"	66.368604	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1440834"	199.132846	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"230530"	180.14234	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1518595"	213.18489	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"415000"	183.096288	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"778182"	259.156338	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1677431"	107.036238	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"262491"	368.255968	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1233740"	216.135868	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1723720"	216.159393	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1189074"	73.695918	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1657875"	221.114788	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"166924"	381.15924	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"599194"	533.27934	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1085895"	229.03914	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"142711"	191.083258	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"584458"	267.143308	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1069575"	115.023208	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1100964"	231.053692	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1338200"	231.141307	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1008917"	235.180476	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1528136"	236.174108	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"995680"	118.093876	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1591277"	237.088728	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1416937"	267.120238	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1150506"	138.607151	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1700056"	284.146785	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1636801"	289.10218	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1571436"	305.07612	"C02452"	"Perillyl alcohol;(-)-Perillyl alcohol;p-Mentha-18-dien-7-ol;(-)-Perillylalcohol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"809384"	256.1827	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M"	0
"976355"	237.16431	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-H2O-H"	-19.01839
"65690"	169.781190666667	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M-3H"	-3.021828
"507441"	255.175424	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M-3H"	-3.021828
"884149"	84.3869573333333	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-3H"	-3.021828
"6004"	255.175424	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M-2H"	-2.014552
"453224"	383.266774	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M-2H"	-2.014552
"832758"	127.084074	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-2H"	-2.014552
"92110"	511.358124	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M-H"	-1.007276
"533012"	767.540824	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M-H"	-1.007276
"910820"	255.175424	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-H"	-1.007276
"60567"	528.384671	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M-2H+NH4"	16.019271
"502076"	784.567371	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M-2H+NH4"	16.019271
"870279"	272.201971	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-2H+NH4"	16.019271
"40365"	533.340066	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M-2H+Na"	20.974666
"479926"	789.522766	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M-2H+Na"	20.974666
"855540"	277.157366	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-2H+Na"	20.974666
"1629451"	277.157366	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Na-2H"	20.974666
"101607"	273.163763	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M-H+Cl"	33.962126
"538980"	401.255113	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M-H+Cl"	33.962126
"929578"	145.072413	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-H+Cl"	33.962126
"269958"	547.334802	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+Cl"	34.969402
"665658"	803.517502	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+Cl"	34.969402
"1282434"	291.152102	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Cl"	34.969402
"21709"	549.314006	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M-2H+K"	36.948606
"460174"	805.496706	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M-2H+K"	36.948606
"834695"	293.131306	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-2H+K"	36.948606
"1560371"	293.131306	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+K-2H"	36.948606
"943189"	301.180894	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-H+HCOOH"	44.998194
"374499"	557.363601	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+HCOOH-H"	44.998201
"361293"	571.379251	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+Hac-H"	59.013851
"1508426"	315.196551	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Hac-H"	59.013851
"973994"	323.162851	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-H+NaCOOH"	66.980151
"125139"	291.152102	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+2Cl"	69.938804
"565067"	419.243452	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+2Cl"	69.938804
"1036053"	163.060752	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2Cl"	69.938804
"1256356"	335.101585	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Br"	78.918885
"1319170"	337.157572	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Cl+HCOOH"	80.974872
"1334844"	359.139529	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Cl+NaCOOH"	102.956829
"926266"	369.168286	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M-H+CF3COOH"	112.985586
"1302970"	405.144964	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Cl+CF3COOH"	148.962264
"1372745"	221.170024	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H-2H2O"	-35.012676
"1391336"	239.18	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H-H2O"	-17.0027
"289929"	513.372676	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+H"	1.007276
"685630"	769.555376	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+H"	1.007276
"1357606"	257.189976	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H"	1.007276
"133775"	257.189976	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+2H"	2.014552
"573333"	385.281326	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+2H"	2.014552
"1049425"	129.098626	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2H"	2.014552
"217690"	171.795742666667	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+3H"	3.021828
"653969"	257.189976	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+3H"	3.021828
"1177082"	86.4015093333334	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+3H"	3.021828
"438167"	530.399223	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+NH4"	18.033823
"799283"	786.581923	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+NH4"	18.033823
"1690510"	274.216523	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+NH4"	18.033823
"339881"	265.7032495	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+H+NH4"	19.041099
"732303"	393.7945995	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+H+NH4"	19.041099
"1485030"	137.6118995	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H+NH4"	19.041099
"404803"	535.354618	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+Na"	22.989218
"767997"	791.537318	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+Na"	22.989218
"1613908"	279.171918	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Na"	22.989218
"327954"	268.180947	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+H+Na"	23.996494
"721714"	396.272297	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+H+Na"	23.996494
"1476509"	140.089597	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H+Na"	23.996494
"1067689"	93.7288233333333	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2H+Na"	25.00377
"1271670"	289.216186	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+CH3OH+H"	33.033486
"388058"	551.328558	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+K"	38.963158
"752336"	807.511258	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+K"	38.963158
"1552199"	295.145858	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+K"	38.963158
"311197"	276.167917	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+H+K"	39.970434
"702888"	404.259267	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+H+K"	39.970434
"1457808"	148.076567	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H+K"	39.970434
"246409"	554.399226	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+ACN+H"	42.033826
"1222399"	298.216526	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+ACN+H"	42.033826
"1205188"	149.611901	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+ACN+2H"	43.041102
"202921"	557.33656	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+2Na-H"	44.97116
"632882"	813.51926	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+2Na-H"	44.97116
"1137845"	301.15386	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2Na-H"	44.97116
"174693"	279.171918	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+2Na"	45.978436
"614864"	407.263268	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+2Na"	45.978436
"1128585"	151.080568	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2Na"	45.978436
"1407731"	101.056137333333	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H+2Na"	46.985712
"1442768"	303.195446	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H+HCOOH"	47.012746
"231734"	284.20494	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+3H2O+2H"	56.04448
"1518707"	317.24749	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+IsoProp+H"	61.06479
"420578"	287.158888	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+Na+K"	61.952376
"782666"	415.250238	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+Na+K"	61.952376
"1678635"	159.067538	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Na+K"	61.952376
"264062"	576.381168	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+ACN+Na"	64.015768
"1240862"	320.198468	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+ACN+Na"	64.015768
"1726017"	320.221993	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+NH4+HCOOH"	64.039293
"1189184"	108.383451333333	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+3Na"	68.967654
"1663452"	325.177388	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Na+HCOOH"	68.994688
"171407"	589.28444	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+2K-H"	76.91904
"598942"	845.46714	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+2K-H"	76.91904
"1086734"	333.10174	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2K-H"	76.91904
"147925"	295.145858	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"2M+2K"	77.926316
"583475"	423.237208	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"3M+2K"	77.926316
"1070173"	167.054508	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2K"	77.926316
"1104112"	335.116292	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2K+H"	78.933592
"1336727"	335.203907	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+DMSO+H"	79.021207
"1010485"	339.243076	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2ACN+H"	83.060376
"1528246"	340.236708	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+IsoProp+Na+H"	84.054008
"995059"	170.125176	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+2ACN+2H"	84.067652
"1592480"	341.151328	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+K+HCOOH"	84.968628
"1418139"	371.182838	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+H+CF3COOH"	115.000138
"1148427"	190.638451	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+3ACN+2H"	125.094202
"1700166"	388.209385	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+NH4+CF3COOH"	132.026685
"1634476"	393.16478	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+Na+CF3COOH"	136.98208
"1571468"	409.13872	"C02453"	"Phenolic steroid"	"C18H24O"	"256.1827"	"M+K+CF3COOH"	152.95602
"809494"	108.0687	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M"	0
"979745"	89.05031	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-H2O-H"	-19.01839
"71269"	71.038524	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M-3H"	-3.021828
"508645"	107.061424	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M-3H"	-3.021828
"885353"	35.015624	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-3H"	-3.021828
"3927"	107.061424	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M-2H"	-2.014552
"453334"	161.095774	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M-2H"	-2.014552
"831135"	53.027074	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-2H"	-2.014552
"92220"	215.130124	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M-H"	-1.007276
"533366"	323.198824	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M-H"	-1.007276
"910559"	107.061424	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-H"	-1.007276
"59583"	232.156671	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M-2H+NH4"	16.019271
"502432"	340.225371	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M-2H+NH4"	16.019271
"874763"	124.087971	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-2H+NH4"	16.019271
"43755"	237.112066	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M-2H+Na"	20.974666
"483316"	345.180766	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M-2H+Na"	20.974666
"857837"	129.043366	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-2H+Na"	20.974666
"1632964"	129.043366	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Na-2H"	20.974666
"109130"	125.049763	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M-H+Cl"	33.962126
"549622"	179.084113	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M-H+Cl"	33.962126
"935887"	71.015413	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-H+Cl"	33.962126
"279181"	251.106802	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+Cl"	34.969402
"666864"	359.175502	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+Cl"	34.969402
"1281453"	143.038102	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Cl"	34.969402
"29474"	253.086006	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M-2H+K"	36.948606
"469033"	361.154706	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M-2H+K"	36.948606
"843554"	145.017306	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-2H+K"	36.948606
"1560481"	145.017306	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+K-2H"	36.948606
"944841"	153.066894	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-H+HCOOH"	44.998194
"374244"	261.135601	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+HCOOH-H"	44.998201
"360197"	275.151251	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+Hac-H"	59.013851
"1507814"	167.082551	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Hac-H"	59.013851
"973780"	175.048851	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-H+NaCOOH"	66.980151
"124882"	143.038102	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+2Cl"	69.938804
"565528"	197.072452	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+2Cl"	69.938804
"1036526"	89.003752	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2Cl"	69.938804
"1256836"	186.987585	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Br"	78.918885
"1318915"	189.043572	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Cl+HCOOH"	80.974872
"1335075"	211.025529	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Cl+NaCOOH"	102.956829
"926010"	221.054286	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M-H+CF3COOH"	112.985586
"1301986"	257.030964	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Cl+CF3COOH"	148.962264
"1373949"	73.056024	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H-2H2O"	-35.012676
"1391446"	91.066	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H-H2O"	-17.0027
"287852"	217.144676	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+H"	1.007276
"686837"	325.213376	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+H"	1.007276
"1365374"	109.075976	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H"	1.007276
"138991"	109.075976	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+2H"	2.014552
"580741"	163.110326	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+2H"	2.014552
"1050267"	55.041626	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2H"	2.014552
"219266"	73.053076	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+3H"	3.021828
"659192"	109.075976	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+3H"	3.021828
"1177679"	37.030176	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+3H"	3.021828
"438764"	234.171223	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+NH4"	18.033823
"794287"	342.239923	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+NH4"	18.033823
"1690617"	126.102523	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+NH4"	18.033823
"339991"	117.5892495	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+H+NH4"	19.041099
"732413"	171.6235995	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+H+NH4"	19.041099
"1485139"	63.5548995	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H+NH4"	19.041099
"404912"	239.126618	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+Na"	22.989218
"769566"	347.195318	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+Na"	22.989218
"1616934"	131.057918	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Na"	22.989218
"329280"	120.066947	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+H+Na"	23.996494
"722760"	174.101297	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+H+Na"	23.996494
"1475642"	66.032597	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H+Na"	23.996494
"1068440"	44.35749	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2H+Na"	25.00377
"1269592"	141.102186	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+CH3OH+H"	33.033486
"387072"	255.100558	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+K"	38.963158
"754096"	363.169258	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+K"	38.963158
"1552307"	147.031858	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+K"	38.963158
"312400"	128.053917	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+H+K"	39.970434
"701904"	182.088267	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+H+K"	39.970434
"1457920"	74.019567	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H+K"	39.970434
"249800"	258.171226	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+ACN+H"	42.033826
"1225305"	150.102526	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+ACN+H"	42.033826
"1207485"	75.554901	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+ACN+2H"	43.041102
"204085"	261.10856	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+2Na-H"	44.97116
"632992"	369.17726	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+2Na-H"	44.97116
"1137955"	153.03986	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2Na-H"	44.97116
"177236"	131.057918	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+2Na"	45.978436
"618254"	185.092268	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+2Na"	45.978436
"1129422"	77.023568	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2Na"	45.978436
"1407841"	51.684804	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H+2Na"	46.985712
"1443971"	155.081446	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H+HCOOH"	47.012746
"234031"	136.09094	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+3H2O+2H"	56.04448
"1518817"	169.13349	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+IsoProp+H"	61.06479
"418502"	139.044888	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+Na+K"	61.952376
"781684"	193.079238	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+Na+K"	61.952376
"1676923"	85.010538	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Na+K"	61.952376
"263443"	280.153168	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+ACN+Na"	64.015768
"1233964"	172.084468	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+ACN+Na"	64.015768
"1722852"	172.107993	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+NH4+HCOOH"	64.039293
"1190391"	59.012118	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+3Na"	68.967654
"1663564"	177.063388	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Na+HCOOH"	68.994688
"170424"	293.05644	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+2K-H"	76.91904
"605614"	401.12514	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+2K-H"	76.91904
"1093406"	184.98774	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2K-H"	76.91904
"148035"	147.031858	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"2M+2K"	77.926316
"586502"	201.066208	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"3M+2K"	77.926316
"1073201"	92.997508	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2K"	77.926316
"1103129"	187.002292	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2K+H"	78.933592
"1341701"	187.089907	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+DMSO+H"	79.021207
"1011326"	191.129076	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2ACN+H"	83.060376
"1530543"	192.122708	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+IsoProp+Na+H"	84.054008
"996992"	96.068176	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+2ACN+2H"	84.067652
"1594775"	193.037328	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+K+HCOOH"	84.968628
"1421531"	223.068838	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+H+CF3COOH"	115.000138
"1156192"	116.581451	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+3ACN+2H"	125.094202
"1702464"	240.095385	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+NH4+CF3COOH"	132.026685
"1638114"	245.05078	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+Na+CF3COOH"	136.98208
"1573037"	261.02472	"C02454"	"Phenylenediamine;m-Phenylenediamine;Diaminobenzene;m-Diaminobenzene;Benzenediamine;13-Benzenediamine;meta-Phenylenediamine"	"C6H8N2"	"108.0687"	"M+K+CF3COOH"	152.95602
"803044"	121.0891	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M"	0
"974994"	102.07071	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-H2O-H"	-19.01839
"69192"	79.7187906666667	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M-3H"	-3.021828
"503243"	120.081824	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M-3H"	-3.021828
"883276"	39.3557573333333	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-3H"	-3.021828
"2214"	120.081824	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M-2H"	-2.014552
"454173"	180.626374	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M-2H"	-2.014552
"829058"	59.537274	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-2H"	-2.014552
"90143"	241.170924	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M-H"	-1.007276
"533921"	362.260024	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M-H"	-1.007276
"910992"	120.081824	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-H"	-1.007276
"58600"	258.197471	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M-2H+NH4"	16.019271
"501566"	379.286571	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M-2H+NH4"	16.019271
"877789"	137.108371	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-2H+NH4"	16.019271
"42772"	263.152866	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M-2H+Na"	20.974666
"483792"	384.241966	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M-2H+Na"	20.974666
"856854"	142.063766	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-2H+Na"	20.974666
"1633398"	142.063766	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Na-2H"	20.974666
"109773"	138.070163	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M-H+Cl"	33.962126
"549818"	198.614713	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M-H+Cl"	33.962126
"931987"	77.525613	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-H+Cl"	33.962126
"280019"	277.147602	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+Cl"	34.969402
"666974"	398.236702	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+Cl"	34.969402
"1282656"	156.058502	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Cl"	34.969402
"29585"	279.126806	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M-2H+K"	36.948606
"470237"	400.215906	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M-2H+K"	36.948606
"841477"	158.037706	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-2H+K"	36.948606
"1559497"	158.037706	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+K-2H"	36.948606
"944587"	166.087294	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-H+HCOOH"	44.998194
"369976"	287.176401	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+HCOOH-H"	44.998201
"351309"	301.192051	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+Hac-H"	59.013851
"1507802"	180.102951	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Hac-H"	59.013851
"974014"	188.069251	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-H+NaCOOH"	66.980151
"125238"	156.058502	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+2Cl"	69.938804
"564681"	216.603052	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+2Cl"	69.938804
"1036031"	95.513952	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2Cl"	69.938804
"1256661"	200.007985	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Br"	78.918885
"1319025"	202.063972	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Cl+HCOOH"	80.974872
"1335305"	224.045929	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Cl+NaCOOH"	102.956829
"926481"	234.074686	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M-H+CF3COOH"	112.985586
"1300638"	270.051364	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Cl+CF3COOH"	148.962264
"1372965"	86.076424	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H-2H2O"	-35.012676
"1388276"	104.0864	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H-H2O"	-17.0027
"288326"	243.185476	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+H"	1.007276
"686947"	364.274576	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+H"	1.007276
"1364027"	122.096376	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H"	1.007276
"138008"	122.096376	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+2H"	2.014552
"579756"	182.640926	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+2H"	2.014552
"1050742"	61.551826	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2H"	2.014552
"217548"	81.7333426666667	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+3H"	3.021828
"656377"	122.096376	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+3H"	3.021828
"1176330"	41.3703093333333	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+3H"	3.021828
"437415"	260.212023	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+NH4"	18.033823
"797677"	381.301123	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+NH4"	18.033823
"1687446"	139.122923	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+NH4"	18.033823
"340101"	130.6096495	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+H+NH4"	19.041099
"730336"	191.1541995	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+H+NH4"	19.041099
"1481970"	70.0650995	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H+NH4"	19.041099
"401743"	265.167418	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+Na"	22.989218
"766025"	386.256518	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+Na"	22.989218
"1617935"	144.078318	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Na"	22.989218
"328661"	133.087347	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+H+Na"	23.996494
"722588"	193.631897	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+H+Na"	23.996494
"1475875"	72.542797	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H+Na"	23.996494
"1067950"	48.6976233333333	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2H+Na"	25.00377
"1269702"	154.122586	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+CH3OH+H"	33.033486
"388275"	281.141358	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+K"	38.963158
"753285"	402.230458	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+K"	38.963158
"1551324"	160.052258	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+K"	38.963158
"311417"	141.074317	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+H+K"	39.970434
"697640"	201.618867	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+H+K"	39.970434
"1451460"	80.529767	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H+K"	39.970434
"247722"	284.212026	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+ACN+H"	42.033826
"1223711"	163.122926	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+ACN+H"	42.033826
"1205408"	82.065101	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+ACN+2H"	43.041102
"202532"	287.14936	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+2Na-H"	44.97116
"634561"	408.23846	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+2Na-H"	44.97116
"1133690"	166.06026	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2Na-H"	44.97116
"176253"	144.078318	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+2Na"	45.978436
"614962"	204.622868	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+2Na"	45.978436
"1126616"	83.533768	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2Na"	45.978436
"1405764"	56.0249373333333	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H+2Na"	46.985712
"1444812"	168.101846	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H+HCOOH"	47.012746
"233777"	149.11134	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+3H2O+2H"	56.04448
"1521113"	182.15389	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+IsoProp+H"	61.06479
"420798"	152.065288	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+Na+K"	61.952376
"784833"	212.609838	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+Na+K"	61.952376
"1680314"	91.520738	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Na+K"	61.952376
"266470"	306.193968	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+ACN+Na"	64.015768
"1238814"	185.104868	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+ACN+Na"	64.015768
"1725878"	185.128393	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+NH4+HCOOH"	64.039293
"1192688"	63.3522513333333	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+3Na"	68.967654
"1664767"	190.083788	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Na+HCOOH"	68.994688
"172399"	319.09724	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+2K-H"	76.91904
"604629"	440.18634	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+2K-H"	76.91904
"1093517"	198.00814	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2K-H"	76.91904
"144136"	160.052258	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"2M+2K"	77.926316
"586612"	220.596808	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"3M+2K"	77.926316
"1076591"	99.507708	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2K"	77.926316
"1105426"	200.022692	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2K+H"	78.933592
"1340717"	200.110307	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+DMSO+H"	79.021207
"1012892"	204.149476	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2ACN+H"	83.060376
"1532840"	205.143108	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+IsoProp+Na+H"	84.054008
"1000381"	102.578376	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+2ACN+2H"	84.067652
"1594885"	206.057728	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+K+HCOOH"	84.968628
"1421641"	236.089238	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+H+CF3COOH"	115.000138
"1155209"	123.091651	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+3ACN+2H"	125.094202
"1701480"	253.115785	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+NH4+CF3COOH"	132.026685
"1637130"	258.07118	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+Na+CF3COOH"	136.98208
"1573147"	274.04512	"C02455"	"1-Phenylethylamine;alpha-Phenylethylamine;alpha-Methylbenzylamine"	"C8H11N"	"121.0891"	"M+K+CF3COOH"	152.95602
"801448"	76.0524	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M"	0
"975592"	57.03401	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-H2O-H"	-19.01839
"68212"	49.694324	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M-3H"	-3.021828
"514335"	75.045124	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M-3H"	-3.021828
"886669"	24.343524	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-3H"	-3.021828
"9622"	75.045124	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M-2H"	-2.014552
"453192"	113.071324	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M-2H"	-2.014552
"829902"	37.018924	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-2H"	-2.014552
"85882"	151.097524	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M-H"	-1.007276
"528723"	227.149924	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M-H"	-1.007276
"907617"	75.045124	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-H"	-1.007276
"53247"	168.124071	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+NH4"	16.019271
"491715"	244.176471	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+NH4"	16.019271
"874984"	92.071671	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-2H+NH4"	16.019271
"43978"	173.079466	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+Na"	20.974666
"484267"	249.131866	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+Na"	20.974666
"858062"	97.027066	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-2H+Na"	20.974666
"1631968"	97.027066	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Na-2H"	20.974666
"108255"	93.033463	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M-H+Cl"	33.962126
"549154"	131.059663	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M-H+Cl"	33.962126
"932827"	55.007263	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-H+Cl"	33.962126
"280130"	187.074202	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+Cl"	34.969402
"663804"	263.126602	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+Cl"	34.969402
"1282767"	111.021802	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Cl"	34.969402
"29699"	189.053406	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+K"	36.948606
"468160"	265.105806	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+K"	36.948606
"834300"	113.001006	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-2H+K"	36.948606
"1557425"	113.001006	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+K-2H"	36.948606
"949684"	121.050594	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-H+HCOOH"	44.998194
"371914"	197.103001	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+HCOOH-H"	44.998201
"359940"	211.118651	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+Hac-H"	59.013851
"1508171"	135.066251	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Hac-H"	59.013851
"973973"	143.032551	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-H+NaCOOH"	66.980151
"125189"	111.021802	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+2Cl"	69.938804
"565074"	149.048002	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+2Cl"	69.938804
"1036020"	72.995602	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2Cl"	69.938804
"1256646"	154.971285	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Br"	78.918885
"1319659"	157.027272	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+HCOOH"	80.974872
"1334073"	179.009229	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+NaCOOH"	102.956829
"917113"	189.037986	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M-H+CF3COOH"	112.985586
"1300018"	225.014664	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+CF3COOH"	148.962264
"1374169"	41.039724	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H-2H2O"	-35.012676
"1390572"	59.0497	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H-H2O"	-17.0027
"295363"	153.112076	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+H"	1.007276
"688515"	229.164476	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+H"	1.007276
"1364136"	77.059676	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H"	1.007276
"141313"	77.059676	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+2H"	2.014552
"580965"	115.085876	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+2H"	2.014552
"1052309"	39.033476	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2H"	2.014552
"218022"	51.708876	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+3H"	3.021828
"656487"	77.059676	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+3H"	3.021828
"1174983"	26.358076	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+3H"	3.021828
"435701"	170.138623	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+NH4"	18.033823
"796696"	246.191023	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+NH4"	18.033823
"1694123"	94.086223	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+NH4"	18.033823
"341307"	85.5729495	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+H+NH4"	19.041099
"733366"	123.5991495	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+H+NH4"	19.041099
"1486457"	47.5467495	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H+NH4"	19.041099
"405507"	175.094018	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+Na"	22.989218
"765045"	251.146418	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+Na"	22.989218
"1618127"	99.041618	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Na"	22.989218
"328043"	88.050647	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+H+Na"	23.996494
"718883"	126.076847	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+H+Na"	23.996494
"1476951"	50.024447	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H+Na"	23.996494
"1066800"	33.68539	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2H+Na"	25.00377
"1270786"	109.085886	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+CH3OH+H"	33.033486
"392039"	191.067958	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+K"	38.963158
"751572"	267.120358	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+K"	38.963158
"1554234"	115.015558	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+K"	38.963158
"309707"	96.037617	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+H+K"	39.970434
"701034"	134.063817	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+H+K"	39.970434
"1454851"	58.011417	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H+K"	39.970434
"244553"	194.138626	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+H"	42.033826
"1215076"	118.086226	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+H"	42.033826
"1197866"	59.546751	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+2H"	43.041102
"201674"	197.07596	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na-H"	44.97116
"631392"	273.12836	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na-H"	44.97116
"1133437"	121.02356	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2Na-H"	44.97116
"174541"	99.041618	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na"	45.978436
"626139"	137.067818	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na"	45.978436
"1130373"	61.015418	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2Na"	45.978436
"1411349"	41.012704	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H+2Na"	46.985712
"1440185"	123.065146	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H+HCOOH"	47.012746
"233161"	104.07464	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+3H2O+2H"	56.04448
"1519035"	137.11719	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+H"	61.06479
"423460"	107.028588	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+Na+K"	61.952376
"784092"	145.054788	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+Na+K"	61.952376
"1680061"	69.002388	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Na+K"	61.952376
"267067"	216.120568	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+Na"	64.015768
"1239657"	140.068168	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+Na"	64.015768
"1728018"	140.091693	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+HCOOH"	64.039293
"1193492"	48.340018	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+3Na"	68.967654
"1664879"	145.047088	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Na+HCOOH"	68.994688
"167366"	229.02384	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+2K-H"	76.91904
"603647"	305.07624	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+2K-H"	76.91904
"1089251"	152.97144	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2K-H"	76.91904
"147161"	115.015558	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"2M+2K"	77.926316
"591095"	153.041758	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"3M+2K"	77.926316
"1077794"	76.989358	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2K"	77.926316
"1106629"	154.985992	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2K+H"	78.933592
"1337911"	155.073607	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+DMSO+H"	79.021207
"1010450"	159.112776	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+H"	83.060376
"1526387"	160.106408	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+Na+H"	84.054008
"998305"	80.060026	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+2H"	84.067652
"1590620"	161.021028	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+K+HCOOH"	84.968628
"1415552"	191.052538	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+H+CF3COOH"	115.000138
"1147662"	100.573301	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+3ACN+2H"	125.094202
"1699403"	208.079085	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+CF3COOH"	132.026685
"1636151"	213.03448	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+Na+CF3COOH"	136.98208
"1576177"	229.00842	"C02457"	"Propane-13-diol;13-Propanediol;Trimethylene glycol"	"C3H8O2"	"76.0524"	"M+K+CF3COOH"	152.95602
"808733"	154.1358	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M"	0
"985550"	135.11741	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"72700"	101.749924	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"512259"	153.128524	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"884595"	50.371324	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"3171"	153.128524	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"451479"	230.196424	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"819438"	76.060624	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"82711"	307.264324	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"523366"	461.400124	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"901170"	153.128524	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"50078"	324.290871	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"499360"	478.426671	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"875095"	170.155071	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"41903"	329.246266	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"479279"	483.382066	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"858172"	175.110466	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1628798"	175.110466	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"105326"	171.116863	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"548168"	248.184763	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"941928"	94.048963	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"282064"	343.241002	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"674122"	497.376802	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1286033"	189.105202	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"22149"	345.220206	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"459527"	499.356006	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"834168"	191.084406	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1561913"	191.084406	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"955632"	199.133994	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"376366"	353.269801	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"361145"	367.285451	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1508159"	213.149651	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"974069"	221.115951	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"125337"	189.105202	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"565138"	266.173102	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1036489"	112.037302	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1256429"	233.054685	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1317416"	235.110672	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1331631"	257.092629	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"925242"	267.121386	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1302314"	303.098064	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1380475"	119.123124	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1390682"	137.1331	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"294016"	309.278876	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"688625"	463.414676	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1363515"	155.143076	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H"	1.007276
"139929"	155.143076	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"578515"	232.210976	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1049505"	78.075176	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"217405"	103.764476	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"655505"	155.143076	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1170350"	52.385876	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"432530"	326.305423	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"797905"	480.441223	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1687672"	172.169623	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"342515"	163.6563495	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"733844"	240.7242495	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1490584"	86.5884495	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"407080"	331.260818	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"769046"	485.396618	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1617956"	177.125018	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"328882"	166.134047	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"720086"	243.201947	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1470625"	89.066147	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1068290"	59.71319	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1272118"	187.169286	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"388501"	347.234758	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"750591"	501.370558	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1551550"	193.098958	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+K"	38.963158
"309820"	174.121017	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"702238"	251.188917	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1456064"	97.053117	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"240290"	350.305426	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1214092"	196.169626	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1204542"	98.588451	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"199600"	353.24276	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"636971"	507.37856	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1138289"	199.10696	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"185962"	177.125018	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"625523"	254.192918	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1125748"	100.057118	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1407450"	67.040504	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1441022"	201.148546	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"233269"	182.15804	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1522425"	215.20059	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422113"	185.111988	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"783839"	262.179888	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1680171"	108.044088	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265596"	372.287368	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1240495"	218.151568	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1727555"	218.175093	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1193518"	74.367818	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1659521"	223.130488	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"169662"	385.19064	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"600840"	539.32644	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1089362"	231.05484	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"147271"	193.098958	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"590112"	270.166858	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1070977"	116.031058	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1102730"	233.069392	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1337289"	233.157007	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1006549"	237.196176	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1525040"	238.189808	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"990514"	119.101726	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1590733"	239.104428	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1415298"	269.135938	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1151055"	139.615001	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1703892"	286.162485	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1636262"	291.11788	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1576287"	307.09182	"C02462"	"Sabinene hydrate"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"808843"	864.3065	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M"	0
"987847"	845.28811	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-H2O-H"	-19.01839
"72810"	575.197057333333	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M-3H"	-3.021828
"510182"	863.299224	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M-3H"	-3.021828
"884705"	287.094890666667	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-3H"	-3.021828
"3281"	863.299224	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M-2H"	-2.014552
"449402"	1295.452474	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M-2H"	-2.014552
"818455"	431.145974	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-2H"	-2.014552
"86101"	1727.605724	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M-H"	-1.007276
"530036"	2591.912224	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M-H"	-1.007276
"901280"	863.299224	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-H"	-1.007276
"51280"	1744.632271	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M-2H+NH4"	16.019271
"494121"	2608.938771	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M-2H+NH4"	16.019271
"875205"	880.325771	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-2H+NH4"	16.019271
"40920"	1749.587666	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M-2H+Na"	20.974666
"479389"	2613.894166	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M-2H+Na"	20.974666
"857189"	885.281166	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-2H+Na"	20.974666
"1628908"	885.281166	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Na-2H"	20.974666
"103250"	881.287563	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M-H+Cl"	33.962126
"548522"	1313.440813	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M-H+Cl"	33.962126
"941306"	449.134313	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-H+Cl"	33.962126
"280347"	1763.582402	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+Cl"	34.969402
"673137"	2627.888902	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+Cl"	34.969402
"1286264"	899.275902	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Cl"	34.969402
"27726"	1765.561606	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M-2H+K"	36.948606
"458544"	2629.868106	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M-2H+K"	36.948606
"832923"	901.255106	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-2H+K"	36.948606
"1556595"	901.255106	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+K-2H"	36.948606
"956106"	909.304694	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-H+HCOOH"	44.998194
"373595"	1773.611201	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+HCOOH-H"	44.998201
"360402"	1787.626851	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+Hac-H"	59.013851
"1507663"	923.320351	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Hac-H"	59.013851
"973825"	931.286651	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-H+NaCOOH"	66.980151
"125087"	899.275902	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+2Cl"	69.938804
"564515"	1331.429152	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+2Cl"	69.938804
"1036598"	467.122652	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2Cl"	69.938804
"1256299"	943.225385	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Br"	78.918885
"1318257"	945.281372	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Cl+HCOOH"	80.974872
"1334904"	967.263329	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Cl+NaCOOH"	102.956829
"926083"	977.292086	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M-H+CF3COOH"	112.985586
"1302791"	1013.268764	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Cl+CF3COOH"	148.962264
"1378034"	829.293824	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H-2H2O"	-35.012676
"1396748"	847.3038	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H-H2O"	-17.0027
"295220"	1729.620276	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+H"	1.007276
"689586"	2593.926776	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+H"	1.007276
"1365692"	865.313776	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H"	1.007276
"139797"	865.313776	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+2H"	2.014552
"579722"	1297.467026	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+2H"	2.014552
"1048152"	433.160526	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2H"	2.014552
"216421"	577.211609333333	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+3H"	3.021828
"656708"	865.313776	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+3H"	3.021828
"1174835"	289.109442666667	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+3H"	3.021828
"432640"	1746.646823	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+NH4"	18.033823
"798015"	2610.953323	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+NH4"	18.033823
"1688876"	882.340323	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+NH4"	18.033823
"343354"	873.8270495	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+H+NH4"	19.041099
"735047"	1305.9802995	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+H+NH4"	19.041099
"1492034"	441.6737995	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H+NH4"	19.041099
"407920"	1751.602218	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+Na"	22.989218
"768426"	2615.908718	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+Na"	22.989218
"1618110"	887.295718	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Na"	22.989218
"329765"	876.304747	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+H+Na"	23.996494
"720196"	1308.457997	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+H+Na"	23.996494
"1475108"	444.151497	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H+Na"	23.996494
"1067993"	296.436756666667	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2H+Na"	25.00377
"1271008"	897.339986	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+CH3OH+H"	33.033486
"387517"	1767.576158	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+K"	38.963158
"749607"	2631.882658	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+K"	38.963158
"1550566"	903.269658	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+K"	38.963158
"311387"	884.291717	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+H+K"	39.970434
"704535"	1316.444967	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+H+K"	39.970434
"1457267"	452.138467	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H+K"	39.970434
"243680"	1770.646826	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+ACN+H"	42.033826
"1219669"	906.340326	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+ACN+H"	42.033826
"1204652"	453.673801	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+ACN+2H"	43.041102
"201532"	1773.58416	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+2Na-H"	44.97116
"640361"	2637.89066	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+2Na-H"	44.97116
"1140586"	909.27766	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2Na-H"	44.97116
"183884"	887.295718	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+2Na"	45.978436
"623448"	1319.448968	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+2Na"	45.978436
"1128047"	455.142468	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2Na"	45.978436
"1409384"	303.764070666667	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H+2Na"	46.985712
"1441863"	911.319246	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H+HCOOH"	47.012746
"233016"	892.32874	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+3H2O+2H"	56.04448
"1523630"	925.37129	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+IsoProp+H"	61.06479
"423440"	895.282688	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+Na+K"	61.952376
"784920"	1327.435938	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+Na+K"	61.952376
"1679916"	463.129438	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Na+K"	61.952376
"266884"	1792.628768	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+ACN+Na"	64.015768
"1240121"	928.322268	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+ACN+Na"	64.015768
"1727185"	928.345793	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+NH4+HCOOH"	64.039293
"1193145"	311.091384666667	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+3Na"	68.967654
"1656351"	933.301188	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Na+HCOOH"	68.994688
"171962"	1805.53204	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+2K-H"	76.91904
"600221"	2669.83854	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+2K-H"	76.91904
"1089473"	941.22554	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2K-H"	76.91904
"147381"	903.269658	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"2M+2K"	77.926316
"590222"	1335.422908	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"3M+2K"	77.926316
"1073639"	471.116408	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2K"	77.926316
"1104663"	943.240092	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2K+H"	78.933592
"1339222"	943.327707	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+DMSO+H"	79.021207
"1008483"	947.366876	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2ACN+H"	83.060376
"1525391"	948.360508	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+IsoProp+Na+H"	84.054008
"993055"	474.187076	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+2ACN+2H"	84.067652
"1590111"	949.275128	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+K+HCOOH"	84.968628
"1415408"	979.306638	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+H+CF3COOH"	115.000138
"1147883"	494.700351	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+3ACN+2H"	125.094202
"1704002"	996.333185	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+NH4+CF3COOH"	132.026685
"1637465"	1001.28858	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+Na+CF3COOH"	136.98208
"1573117"	1017.26252	"C02463"	"Precorrin 2;Dihydrosirohydrochlorin"	"C42H48N4O16"	"864.3065"	"M+K+CF3COOH"	152.95602
"808953"	650.79	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M"	0
"987229"	631.77161	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-H2O-H"	-19.01839
"74378"	432.852724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M-3H"	-3.021828
"510292"	649.782724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M-3H"	-3.021828
"884815"	215.922724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-3H"	-3.021828
"3391"	649.782724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M-2H"	-2.014552
"449512"	975.177724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M-2H"	-2.014552
"819658"	324.387724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-2H"	-2.014552
"85118"	1300.572724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M-H"	-1.007276
"530146"	1951.362724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M-H"	-1.007276
"900296"	649.782724	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-H"	-1.007276
"50297"	1317.599271	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M-2H+NH4"	16.019271
"494231"	1968.389271	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M-2H+NH4"	16.019271
"873128"	666.809271	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-2H+NH4"	16.019271
"39936"	1322.554666	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M-2H+Na"	20.974666
"479499"	1973.344666	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M-2H+Na"	20.974666
"855112"	671.764666	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-2H+Na"	20.974666
"1631205"	671.764666	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Na-2H"	20.974666
"106640"	667.771063	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M-H+Cl"	33.962126
"548753"	993.166063	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M-H+Cl"	33.962126
"941901"	342.376063	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-H+Cl"	33.962126
"281550"	1336.549402	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+Cl"	34.969402
"674340"	1987.339402	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+Cl"	34.969402
"1286374"	685.759402	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Cl"	34.969402
"27836"	1338.528606	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M-2H+K"	36.948606
"458654"	1989.318606	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M-2H+K"	36.948606
"833900"	687.738606	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-2H+K"	36.948606
"1557392"	687.738606	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+K-2H"	36.948606
"956580"	695.788194	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-H+HCOOH"	44.998194
"374069"	1346.578201	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+HCOOH-H"	44.998201
"360271"	1360.593851	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+Hac-H"	59.013851
"1508435"	709.803851	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Hac-H"	59.013851
"971419"	717.770151	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-H+NaCOOH"	66.980151
"123967"	685.759402	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+2Cl"	69.938804
"563897"	1011.154402	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+2Cl"	69.938804
"1035976"	360.364402	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2Cl"	69.938804
"1254459"	729.708885	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Br"	78.918885
"1319095"	731.764872	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Cl+HCOOH"	80.974872
"1331122"	753.746829	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Cl+NaCOOH"	102.956829
"922545"	763.775586	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M-H+CF3COOH"	112.985586
"1301806"	799.752264	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Cl+CF3COOH"	148.962264
"1381061"	615.777324	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H-2H2O"	-35.012676
"1395642"	633.7873	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H-H2O"	-17.0027
"295694"	1302.587276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+H"	1.007276
"690910"	1953.377276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+H"	1.007276
"1365924"	651.797276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H"	1.007276
"139543"	651.797276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+2H"	2.014552
"579103"	977.192276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+2H"	2.014552
"1047899"	326.402276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2H"	2.014552
"216895"	434.867276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+3H"	3.021828
"657911"	651.797276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+3H"	3.021828
"1173851"	217.937276	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+3H"	3.021828
"432750"	1319.613823	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+NH4"	18.033823
"793750"	1970.403823	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+NH4"	18.033823
"1687892"	668.823823	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+NH4"	18.033823
"342734"	660.3105495	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+H+NH4"	19.041099
"736249"	985.7055495	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+H+NH4"	19.041099
"1492512"	334.9155495	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H+NH4"	19.041099
"408158"	1324.569218	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+Na"	22.989218
"768293"	1975.359218	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+Na"	22.989218
"1618096"	673.779218	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Na"	22.989218
"326791"	662.788247	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+H+Na"	23.996494
"718119"	988.183247	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+H+Na"	23.996494
"1466471"	337.393247	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H+Na"	23.996494
"1064093"	225.26459	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2H+Na"	25.00377
"1265771"	683.823486	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+CH3OH+H"	33.033486
"388721"	1340.543158	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+K"	38.963158
"749717"	1991.333158	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+K"	38.963158
"1551769"	689.753158	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+K"	38.963158
"311132"	670.775217	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+H+K"	39.970434
"702458"	996.170217	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+H+K"	39.970434
"1457376"	345.380217	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H+K"	39.970434
"243790"	1343.613826	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+ACN+H"	42.033826
"1218685"	692.823826	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+ACN+H"	42.033826
"1204761"	346.915551	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+ACN+2H"	43.041102
"203222"	1346.55116	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+2Na-H"	44.97116
"640471"	1997.34116	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+2Na-H"	44.97116
"1140696"	695.76116	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2Na-H"	44.97116
"185451"	673.779218	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+2Na"	45.978436
"624647"	999.174218	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+2Na"	45.978436
"1125967"	348.384218	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2Na"	45.978436
"1407305"	232.591904	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H+2Na"	46.985712
"1440881"	697.802746	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H+HCOOH"	47.012746
"233492"	678.81224	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+3H2O+2H"	56.04448
"1522284"	711.85479	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+IsoProp+H"	61.06479
"423061"	681.766188	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+Na+K"	61.952376
"783329"	1007.161188	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+Na+K"	61.952376
"1680025"	356.371188	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Na+K"	61.952376
"266787"	1365.595768	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+ACN+Na"	64.015768
"1241289"	714.805768	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+ACN+Na"	64.015768
"1728109"	714.829293	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+NH4+HCOOH"	64.039293
"1194038"	239.919218	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+3Na"	68.967654
"1657554"	719.784688	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Na+HCOOH"	68.994688
"171948"	1378.49904	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+2K-H"	76.91904
"599967"	2029.28904	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+2K-H"	76.91904
"1089583"	727.70904	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2K-H"	76.91904
"148584"	689.753158	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"2M+2K"	77.926316
"590332"	1015.148158	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"3M+2K"	77.926316
"1074842"	364.358158	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2K"	77.926316
"1104773"	729.723592	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2K+H"	78.933592
"1341153"	729.811207	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+DMSO+H"	79.021207
"1010780"	733.850376	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2ACN+H"	83.060376
"1527811"	734.844008	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+IsoProp+Na+H"	84.054008
"993165"	367.428826	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+2ACN+2H"	84.067652
"1590951"	735.758628	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+K+HCOOH"	84.968628
"1416975"	765.790138	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+H+CF3COOH"	115.000138
"1149085"	387.942101	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+3ACN+2H"	125.094202
"1704112"	782.816685	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+NH4+CF3COOH"	132.026685
"1638669"	787.77208	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+Na+CF3COOH"	136.98208
"1573227"	803.74602	"C02465"	"Triiodothyronine;335-Triiodo-L-thyronine;L-353-Triiodothyronine;353-Triiodothyronine;Liothyronine;353-Triiodo-L-thyronine;T3"	"C15H12I3NO4"	"650.79"	"M+K+CF3COOH"	152.95602
"810156"	239.899	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M"	0
"985881"	220.88061	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-H2O-H"	-19.01839
"74123"	158.925390666667	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M-3H"	-3.021828
"515870"	238.891724	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M-3H"	-3.021828
"884925"	78.9590573333333	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-3H"	-3.021828
"6783"	238.891724	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M-2H"	-2.014552
"446342"	358.841224	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M-2H"	-2.014552
"820863"	118.942224	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-2H"	-2.014552
"86322"	478.790724	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M-H"	-1.007276
"526976"	718.689724	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M-H"	-1.007276
"900406"	238.891724	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-H"	-1.007276
"50407"	495.817271	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M-2H+NH4"	16.019271
"494341"	735.716271	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M-2H+NH4"	16.019271
"872145"	255.918271	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-2H+NH4"	16.019271
"40046"	500.772666	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M-2H+Na"	20.974666
"483618"	740.671666	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M-2H+Na"	20.974666
"855222"	260.873666	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-2H+Na"	20.974666
"1625848"	260.873666	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Na-2H"	20.974666
"104563"	256.880063	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M-H+Cl"	33.962126
"544123"	376.829563	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M-H+Cl"	33.962126
"941646"	136.930563	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-H+Cl"	33.962126
"278381"	514.767402	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+Cl"	34.969402
"671897"	754.666402	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+Cl"	34.969402
"1285756"	274.868402	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Cl"	34.969402
"24666"	516.746606	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M-2H+K"	36.948606
"457671"	756.645606	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M-2H+K"	36.948606
"835836"	276.847606	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-2H+K"	36.948606
"1556529"	276.847606	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+K-2H"	36.948606
"955597"	284.897194	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-H+HCOOH"	44.998194
"374907"	524.796201	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+HCOOH-H"	44.998201
"360871"	538.811851	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+Hac-H"	59.013851
"1508232"	298.912851	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Hac-H"	59.013851
"972256"	306.879151	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-H+NaCOOH"	66.980151
"125423"	274.868402	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+2Cl"	69.938804
"564371"	394.817902	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+2Cl"	69.938804
"1036943"	154.918902	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2Cl"	69.938804
"1256152"	318.817885	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Br"	78.918885
"1316288"	320.873872	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Cl+HCOOH"	80.974872
"1334394"	342.855829	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Cl+NaCOOH"	102.956829
"921560"	352.884586	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M-H+CF3COOH"	112.985586
"1301915"	388.861264	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Cl+CF3COOH"	148.962264
"1379712"	204.886324	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H-2H2O"	-35.012676
"1395388"	222.8963	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H-H2O"	-17.0027
"296169"	480.805276	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+H"	1.007276
"690414"	720.704276	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+H"	1.007276
"1366156"	240.906276	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H"	1.007276
"139288"	240.906276	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+2H"	2.014552
"579820"	360.855776	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+2H"	2.014552
"1048373"	120.956776	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2H"	2.014552
"215912"	160.939942666667	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+3H"	3.021828
"656928"	240.906276	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+3H"	3.021828
"1173961"	80.9736093333333	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+3H"	3.021828
"432860"	497.831823	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+NH4"	18.033823
"793860"	737.730823	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+NH4"	18.033823
"1688002"	257.932823	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+NH4"	18.033823
"337375"	249.4195495	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+H+NH4"	19.041099
"736359"	369.3690495	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+H+NH4"	19.041099
"1492006"	129.4700495	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H+NH4"	19.041099
"407404"	502.787218	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+Na"	22.989218
"769925"	742.686218	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+Na"	22.989218
"1618162"	262.888218	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Na"	22.989218
"323621"	251.897247	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+H+Na"	23.996494
"714948"	371.846747	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+H+Na"	23.996494
"1466581"	131.947747	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H+Na"	23.996494
"1063109"	88.3009233333333	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2H+Na"	25.00377
"1265880"	272.932486	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+CH3OH+H"	33.033486
"383363"	518.761158	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+K"	38.963158
"743266"	758.660158	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+K"	38.963158
"1544226"	278.862158	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+K"	38.963158
"307962"	259.884217	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+H+K"	39.970434
"699288"	379.833717	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+H+K"	39.970434
"1454202"	139.934717	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H+K"	39.970434
"246085"	521.831826	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+ACN+H"	42.033826
"1220979"	281.932826	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+ACN+H"	42.033826
"1202677"	141.470051	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+ACN+2H"	43.041102
"195548"	524.76916	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+2Na-H"	44.97116
"631465"	764.66816	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+2Na-H"	44.97116
"1140806"	284.87016	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2Na-H"	44.97116
"184832"	262.888218	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+2Na"	45.978436
"625121"	382.837718	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+2Na"	45.978436
"1127170"	142.938718	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2Na"	45.978436
"1408142"	95.6282373333333	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H+2Na"	46.985712
"1442811"	286.911746	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H+HCOOH"	47.012746
"230319"	267.92124	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+3H2O+2H"	56.04448
"1522636"	300.96379	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+IsoProp+H"	61.06479
"421347"	270.875188	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+Na+K"	61.952376
"783073"	390.824688	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+Na+K"	61.952376
"1679769"	150.925688	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Na+K"	61.952376
"265560"	543.813768	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+ACN+Na"	64.015768
"1241243"	303.914768	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+ACN+Na"	64.015768
"1727889"	303.938293	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+NH4+HCOOH"	64.039293
"1193727"	102.955551333333	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+3Na"	68.967654
"1657664"	308.893688	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Na+HCOOH"	68.994688
"168899"	556.71704	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+2K-H"	76.91904
"598982"	796.61604	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+2K-H"	76.91904
"1089693"	316.81804	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2K-H"	76.91904
"147601"	278.862158	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"2M+2K"	77.926316
"589349"	398.811658	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"3M+2K"	77.926316
"1072402"	158.912658	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2K"	77.926316
"1104883"	318.832592	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2K+H"	78.933592
"1339077"	318.920207	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+DMSO+H"	79.021207
"1007974"	322.959376	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2ACN+H"	83.060376
"1529014"	323.953008	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+IsoProp+Na+H"	84.054008
"993275"	161.983326	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+2ACN+2H"	84.067652
"1589967"	324.867628	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+K+HCOOH"	84.968628
"1417814"	354.899138	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+H+CF3COOH"	115.000138
"1149558"	182.496601	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+3ACN+2H"	125.094202
"1704222"	371.925685	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+NH4+CF3COOH"	132.026685
"1638779"	376.88108	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+Na+CF3COOH"	136.98208
"1573337"	392.85502	"C02466"	"Trimetaphosphoric acid;Trimetaphosphate;cyclo-Triphosphoric acid"	"H3P3O9"	"239.899"	"M+K+CF3COOH"	152.95602
"801579"	565.071	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M"	0
"986720"	546.05261	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-H2O-H"	-19.01839
"75326"	375.706724	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M-3H"	-3.021828
"515980"	564.063724	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M-3H"	-3.021828
"886128"	187.349724	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-3H"	-3.021828
"9078"	564.063724	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H"	-2.014552
"446452"	846.599224	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H"	-2.014552
"822066"	281.528224	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-2H"	-2.014552
"86432"	1129.134724	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M-H"	-1.007276
"523806"	1694.205724	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M-H"	-1.007276
"899423"	564.063724	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-H"	-1.007276
"48694"	1146.161271	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+NH4"	16.019271
"494451"	1711.232271	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+NH4"	16.019271
"872255"	581.090271	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+NH4"	16.019271
"40156"	1151.116666	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+Na"	20.974666
"481906"	1716.187666	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+Na"	20.974666
"855332"	586.045666	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+Na"	20.974666
"1625958"	586.045666	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Na-2H"	20.974666
"105766"	582.052063	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M-H+Cl"	33.962126
"545328"	864.587563	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M-H+Cl"	33.962126
"941027"	299.516563	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-H+Cl"	33.962126
"279585"	1165.111402	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+Cl"	34.969402
"674563"	1730.182402	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+Cl"	34.969402
"1286596"	600.040402	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl"	34.969402
"26965"	1167.090606	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+K"	36.948606
"461061"	1732.161606	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+K"	36.948606
"836675"	602.019606	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+K"	36.948606
"1557975"	602.019606	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+K-2H"	36.948606
"949145"	610.069194	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-H+HCOOH"	44.998194
"374652"	1175.140201	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+HCOOH-H"	44.998201
"360492"	1189.155851	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+Hac-H"	59.013851
"1506287"	624.084851	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Hac-H"	59.013851
"973462"	632.051151	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-H+NaCOOH"	66.980151
"125632"	600.040402	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Cl"	69.938804
"565622"	882.575902	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Cl"	69.938804
"1036202"	317.504902	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2Cl"	69.938804
"1256629"	643.989885	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Br"	78.918885
"1317129"	646.045872	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+HCOOH"	80.974872
"1331707"	668.027829	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+NaCOOH"	102.956829
"920942"	678.056586	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M-H+CF3COOH"	112.985586
"1301662"	714.033264	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+CF3COOH"	148.962264
"1379094"	530.058324	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H-2H2O"	-35.012676
"1394041"	548.0683	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H-H2O"	-17.0027
"292270"	1131.149276	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+H"	1.007276
"689065"	1696.220276	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+H"	1.007276
"1364321"	566.078276	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H"	1.007276
"139398"	566.078276	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+2H"	2.014552
"578959"	848.613776	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+2H"	2.014552
"1048120"	283.542776	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2H"	2.014552
"217118"	377.721276	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+3H"	3.021828
"655950"	566.078276	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+3H"	3.021828
"1175168"	189.364276	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+3H"	3.021828
"435522"	1148.175823	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+NH4"	18.033823
"792877"	1713.246823	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+NH4"	18.033823
"1688112"	583.104823	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4"	18.033823
"334205"	574.5915495	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+NH4"	19.041099
"733189"	857.1270495	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+NH4"	19.041099
"1489199"	292.0560495	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H+NH4"	19.041099
"405693"	1153.131218	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+Na"	22.989218
"765594"	1718.202218	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+Na"	22.989218
"1612598"	588.060218	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Na"	22.989218
"319358"	577.069247	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+Na"	23.996494
"711047"	859.604747	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+Na"	23.996494
"1463410"	294.533747	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H+Na"	23.996494
"1062126"	196.69159	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2H+Na"	25.00377
"1262712"	598.104486	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+CH3OH+H"	33.033486
"387848"	1169.105158	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+K"	38.963158
"751031"	1734.176158	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+K"	38.963158
"1550898"	604.034158	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+K"	38.963158
"309166"	585.056217	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+K"	39.970434
"703774"	867.591717	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+K"	39.970434
"1457593"	302.520717	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H+K"	39.970434
"247290"	1172.175826	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+ACN+H"	42.033826
"1222185"	607.104826	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+H"	42.033826
"1201696"	304.056051	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+2H"	43.041102
"196753"	1175.11316	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Na-H"	44.97116
"632304"	1740.18416	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Na-H"	44.97116
"1140916"	610.04216	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2Na-H"	44.97116
"184210"	588.060218	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Na"	45.978436
"624867"	870.595718	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Na"	45.978436
"1128009"	305.524718	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2Na"	45.978436
"1409710"	204.018904	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H+2Na"	46.985712
"1439275"	612.083746	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H+HCOOH"	47.012746
"227149"	593.09324	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+3H2O+2H"	56.04448
"1516305"	626.13579	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+H"	61.06479
"421821"	596.047188	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+Na+K"	61.952376
"781358"	878.582688	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+Na+K"	61.952376
"1678786"	313.511688	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+K"	61.952376
"262022"	1194.157768	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+ACN+Na"	64.015768
"1233637"	629.086768	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+Na"	64.015768
"1722525"	629.110293	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4+HCOOH"	64.039293
"1189339"	211.346218	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+3Na"	68.967654
"1654494"	634.065688	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+HCOOH"	68.994688
"162448"	1207.06104	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+2K-H"	76.91904
"598361"	1772.13204	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+2K-H"	76.91904
"1086518"	641.99004	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2K-H"	76.91904
"143335"	604.034158	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"2M+2K"	77.926316
"586174"	886.569658	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"3M+2K"	77.926316
"1070687"	321.498658	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2K"	77.926316
"1102803"	644.004592	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2K+H"	78.933592
"1337362"	644.092207	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+DMSO+H"	79.021207
"1008809"	648.131376	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2ACN+H"	83.060376
"1526935"	649.125008	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+Na+H"	84.054008
"992292"	324.569326	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+2ACN+2H"	84.067652
"1587643"	650.039628	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+K+HCOOH"	84.968628
"1414644"	680.071138	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+H+CF3COOH"	115.000138
"1147273"	345.082601	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+3ACN+2H"	125.094202
"1704332"	697.097685	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4+CF3COOH"	132.026685
"1638889"	702.05308	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+CF3COOH"	136.98208
"1573447"	718.02702	"C02467"	"UDP-galactosamine;UDP-alpha-D-galactosamine"	"C15H25N3O16P2"	"565.071"	"M+K+CF3COOH"	152.95602
"801664"	830.2283	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M"	0
"987559"	811.20991	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-H2O-H"	-19.01839
"76895"	552.478257333333	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M-3H"	-3.021828
"513904"	829.221024	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M-3H"	-3.021828
"880242"	275.735490666667	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-3H"	-3.021828
"2629"	829.221024	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M-2H"	-2.014552
"442190"	1244.335174	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M-2H"	-2.014552
"817358"	414.106874	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-2H"	-2.014552
"84357"	1659.449324	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M-H"	-1.007276
"518811"	2489.677624	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M-H"	-1.007276
"898441"	829.221024	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-H"	-1.007276
"47463"	1676.475871	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M-2H+NH4"	16.019271
"488123"	2506.704171	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M-2H+NH4"	16.019271
"872366"	846.247571	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-2H+NH4"	16.019271
"36986"	1681.431266	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M-2H+Na"	20.974666
"479829"	2511.659566	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M-2H+Na"	20.974666
"852164"	851.202966	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-2H+Na"	20.974666
"1623883"	851.202966	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Na-2H"	20.974666
"99317"	847.209363	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M-H+Cl"	33.962126
"546531"	1262.323513	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M-H+Cl"	33.962126
"940411"	432.095213	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-H+Cl"	33.962126
"279695"	1695.426002	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+Cl"	34.969402
"669930"	2525.654302	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+Cl"	34.969402
"1283425"	865.197702	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Cl"	34.969402
"23794"	1697.405206	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M-2H+K"	36.948606
"458984"	2527.633506	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M-2H+K"	36.948606
"840066"	867.176906	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-2H+K"	36.948606
"1556020"	867.176906	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+K-2H"	36.948606
"950349"	875.226494	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-H+HCOOH"	44.998194
"369657"	1705.454801	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+HCOOH-H"	44.998201
"351354"	1719.470451	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+Hac-H"	59.013851
"1507488"	889.242151	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Hac-H"	59.013851
"973207"	897.208451	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-H+NaCOOH"	66.980151
"123572"	865.197702	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+2Cl"	69.938804
"564839"	1280.311852	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+2Cl"	69.938804
"1036308"	450.083552	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2Cl"	69.938804
"1256251"	909.147185	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Br"	78.918885
"1313593"	911.203172	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Cl+HCOOH"	80.974872
"1334736"	933.185129	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Cl+NaCOOH"	102.956829
"926157"	943.213886	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M-H+CF3COOH"	112.985586
"1302137"	979.190564	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Cl+CF3COOH"	148.962264
"1381027"	795.215624	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H-2H2O"	-35.012676
"1398040"	813.2256	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H-H2O"	-17.0027
"294202"	1661.463876	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+H"	1.007276
"686989"	2491.692176	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+H"	1.007276
"1365648"	831.235576	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H"	1.007276
"140726"	831.235576	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+2H"	2.014552
"579066"	1246.349726	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+2H"	2.014552
"1047500"	416.121426	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2H"	2.014552
"217228"	554.492809333333	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+3H"	3.021828
"656791"	831.235576	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+3H"	3.021828
"1174185"	277.750042666667	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+3H"	3.021828
"436727"	1678.490423	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+NH4"	18.033823
"796267"	2508.718723	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+NH4"	18.033823
"1684942"	848.262123	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+NH4"	18.033823
"336502"	839.7488495	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+H+NH4"	19.041099
"733299"	1254.8629995	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+H+NH4"	19.041099
"1490768"	424.6346995	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H+NH4"	19.041099
"405803"	1683.445818	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+Na"	22.989218
"766434"	2513.674118	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+Na"	22.989218
"1615260"	853.217518	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Na"	22.989218
"322749"	842.226547	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+H+Na"	23.996494
"714077"	1257.340697	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+H+Na"	23.996494
"1464251"	427.112397	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H+Na"	23.996494
"1063695"	285.077356666667	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2H+Na"	25.00377
"1266103"	863.261786	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+CH3OH+H"	33.033486
"386865"	1699.419758	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+K"	38.963158
"750048"	2529.648058	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+K"	38.963158
"1551008"	869.191458	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+K"	38.963158
"310735"	850.213517	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+H+K"	39.970434
"705221"	1265.327667	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+H+K"	39.970434
"1458797"	435.099367	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H+K"	39.970434
"248496"	1702.490426	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+ACN+H"	42.033826
"1222297"	872.262126	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+ACN+H"	42.033826
"1200714"	436.634701	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+ACN+2H"	43.041102
"196864"	1705.42776	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+2Na-H"	44.97116
"634237"	2535.65606	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+2Na-H"	44.97116
"1132642"	875.19946	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2Na-H"	44.97116
"181040"	853.217518	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+2Na"	45.978436
"626800"	1268.331668	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+2Na"	45.978436
"1125204"	438.103368	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2Na"	45.978436
"1404718"	292.404670666667	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H+2Na"	46.985712
"1442666"	877.241046	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H+HCOOH"	47.012746
"230539"	858.25054	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+3H2O+2H"	56.04448
"1516415"	891.29309	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+IsoProp+H"	61.06479
"421932"	861.204488	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+Na+K"	61.952376
"780375"	1276.318638	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+Na+K"	61.952376
"1676709"	446.090338	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Na+K"	61.952376
"259945"	1724.472368	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+ACN+Na"	64.015768
"1234840"	894.244068	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+ACN+Na"	64.015768
"1724460"	894.267593	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+NH4+HCOOH"	64.039293
"1192487"	299.731984666667	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+3Na"	68.967654
"1655699"	899.222988	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Na+HCOOH"	68.994688
"164744"	1737.37564	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+2K-H"	76.91904
"598835"	2567.60394	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+2K-H"	76.91904
"1089180"	907.14734	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2K-H"	76.91904
"144538"	869.191458	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"2M+2K"	77.926316
"583005"	1284.305608	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"3M+2K"	77.926316
"1072985"	454.077308	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2K"	77.926316
"1102912"	909.161892	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2K+H"	78.933592
"1340392"	909.249507	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+DMSO+H"	79.021207
"1009284"	913.288676	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2ACN+H"	83.060376
"1526317"	914.282308	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+IsoProp+Na+H"	84.054008
"992401"	457.147976	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+2ACN+2H"	84.067652
"1589092"	915.196928	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+K+HCOOH"	84.968628
"1415849"	945.228438	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+H+CF3COOH"	115.000138
"1147072"	477.661251	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+3ACN+2H"	125.094202
"1704443"	962.254985	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+NH4+CF3COOH"	132.026685
"1638999"	967.21038	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+Na+CF3COOH"	136.98208
"1576837"	983.18432	"C02469"	"Uroporphyrin III"	"C40H38N4O16"	"830.2283"	"M+K+CF3COOH"	152.95602
"803924"	205.0375	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M"	0
"977456"	186.01911	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-H2O-H"	-19.01839
"66789"	135.684390666667	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M-3H"	-3.021828
"507449"	204.030224	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M-3H"	-3.021828
"880885"	67.3385573333333	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-3H"	-3.021828
"550"	204.030224	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M-2H"	-2.014552
"444487"	306.548974	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M-2H"	-2.014552
"817424"	101.511474	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-2H"	-2.014552
"79598"	409.067724	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M-H"	-1.007276
"518922"	614.105224	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M-H"	-1.007276
"901832"	204.030224	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-H"	-1.007276
"54019"	426.094271	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M-2H+NH4"	16.019271
"488354"	631.131771	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M-2H+NH4"	16.019271
"872476"	221.056771	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-2H+NH4"	16.019271
"37096"	431.049666	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M-2H+Na"	20.974666
"481033"	636.087166	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M-2H+Na"	20.974666
"854461"	226.012166	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-2H+Na"	20.974666
"1620713"	226.012166	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Na-2H"	20.974666
"102707"	222.018563	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M-H+Cl"	33.962126
"546641"	324.537313	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M-H+Cl"	33.962126
"940154"	119.499813	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-H+Cl"	33.962126
"280898"	445.044402	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+Cl"	34.969402
"672225"	650.081902	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+Cl"	34.969402
"1283535"	240.006902	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Cl"	34.969402
"17344"	447.023606	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M-2H+K"	36.948606
"459094"	652.061106	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M-2H+K"	36.948606
"840176"	241.986106	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-2H+K"	36.948606
"1561478"	241.986106	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+K-2H"	36.948606
"954832"	250.035694	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-H+HCOOH"	44.998194
"370860"	455.073201	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+HCOOH-H"	44.998201
"352557"	469.088851	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+Hac-H"	59.013851
"1507600"	264.051351	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Hac-H"	59.013851
"973317"	272.017651	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-H+NaCOOH"	66.980151
"124780"	240.006902	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+2Cl"	69.938804
"563856"	342.525652	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+2Cl"	69.938804
"1035816"	137.488152	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2Cl"	69.938804
"1254906"	283.956385	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Br"	78.918885
"1315891"	286.012372	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Cl+HCOOH"	80.974872
"1333753"	307.994329	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Cl+NaCOOH"	102.956829
"926028"	318.023086	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M-H+CF3COOH"	112.985586
"1301155"	353.999764	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Cl+CF3COOH"	148.962264
"1380774"	170.024824	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H-2H2O"	-35.012676
"1397177"	188.0348	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H-H2O"	-17.0027
"296133"	411.082276	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+H"	1.007276
"688919"	616.119776	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+H"	1.007276
"1365634"	206.044776	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H"	1.007276
"138889"	206.044776	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+2H"	2.014552
"580512"	308.563526	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+2H"	2.014552
"1049067"	103.526026	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2H"	2.014552
"216974"	137.698942666667	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+3H"	3.021828
"659205"	206.044776	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+3H"	3.021828
"1176479"	69.3531093333333	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+3H"	3.021828
"436107"	428.108823	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+NH4"	18.033823
"794916"	633.146323	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+NH4"	18.033823
"1688330"	223.071323	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+NH4"	18.033823
"337705"	214.5580495	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+H+NH4"	19.041099
"733409"	317.0767995	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+H+NH4"	19.041099
"1491850"	112.0392995	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H+NH4"	19.041099
"407614"	433.064218	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+Na"	22.989218
"768000"	638.101718	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+Na"	22.989218
"1617557"	228.026718	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Na"	22.989218
"322859"	217.035747	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+H+Na"	23.996494
"718561"	319.554497	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+H+Na"	23.996494
"1471288"	114.516997	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H+Na"	23.996494
"1063440"	76.6804233333333	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2H+Na"	25.00377
"1268401"	238.070986	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+CH3OH+H"	33.033486
"385882"	449.038158	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+K"	38.963158
"749065"	654.075658	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+K"	38.963158
"1552576"	244.000658	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+K"	38.963158
"310479"	225.022717	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+H+K"	39.970434
"705088"	327.541467	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+H+K"	39.970434
"1460000"	122.503967	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H+K"	39.970434
"247878"	452.108826	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+ACN+H"	42.033826
"1221314"	247.071326	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+ACN+H"	42.033826
"1199730"	124.039301	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+ACN+2H"	43.041102
"194786"	455.04616	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+2Na-H"	44.97116
"631431"	660.08366	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+2Na-H"	44.97116
"1131933"	250.00866	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2Na-H"	44.97116
"180055"	228.026718	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+2Na"	45.978436
"622536"	330.545468	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+2Na"	45.978436
"1126408"	125.507968	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2Na"	45.978436
"1404829"	84.0077373333333	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H+2Na"	46.985712
"1436581"	252.050246	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H+HCOOH"	47.012746
"227369"	233.05974	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+3H2O+2H"	56.04448
"1515795"	266.10229	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+IsoProp+H"	61.06479
"416209"	236.013688	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+Na+K"	61.952376
"778298"	338.532438	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+Na+K"	61.952376
"1676817"	133.494938	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Na+K"	61.952376
"260055"	474.090768	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+ACN+Na"	64.015768
"1234950"	269.053268	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+ACN+Na"	64.015768
"1723841"	269.076793	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+NH4+HCOOH"	64.039293
"1190286"	91.3350513333333	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+3Na"	68.967654
"1654714"	274.032188	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Na+HCOOH"	68.994688
"163760"	486.99404	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+2K-H"	76.91904
"598583"	692.03154	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+2K-H"	76.91904
"1086010"	281.95654	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2K-H"	76.91904
"142462"	244.000658	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"2M+2K"	77.926316
"583845"	346.519408	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"3M+2K"	77.926316
"1070905"	141.481908	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2K"	77.926316
"1102293"	283.971092	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2K+H"	78.933592
"1337218"	284.058707	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+DMSO+H"	79.021207
"1009030"	288.097876	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2ACN+H"	83.060376
"1527157"	289.091508	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+IsoProp+Na+H"	84.054008
"993604"	144.552576	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+2ACN+2H"	84.067652
"1591388"	290.006128	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+K+HCOOH"	84.968628
"1415231"	320.037638	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+H+CF3COOH"	115.000138
"1148067"	165.065851	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+3ACN+2H"	125.094202
"1709292"	337.064185	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+NH4+CF3COOH"	132.026685
"1639109"	342.01958	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+Na+CF3COOH"	136.98208
"1580227"	357.99352	"C02470"	"Xanthurenic acid;Xanthurenate"	"C10H7NO4"	"205.0375"	"M+K+CF3COOH"	152.95602
"815345"	164.0685	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M"	0
"981953"	145.05011	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"68007"	108.371724	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"507568"	163.061224	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"882090"	53.682224	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"3944"	163.061224	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"441319"	245.095474	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"821309"	81.026974	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"87863"	327.129724	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"525236"	491.198224	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"907416"	163.061224	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"56323"	344.156271	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"495882"	508.224771	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"872592"	180.087771	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"39398"	349.111666	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"478958"	513.180166	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"852386"	185.043166	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1629574"	185.043166	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"99539"	181.049563	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"540191"	263.083813	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"928603"	99.015313	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"268984"	363.106402	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"667969"	527.174902	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1279280"	199.037902	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"29497"	365.085606	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"466504"	529.154106	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"847714"	201.017106	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1570718"	201.017106	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"958163"	209.066694	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"375359"	373.135201	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"358880"	387.150851	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1506621"	223.082351	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"971973"	231.048651	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"121611"	199.037902	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"561532"	281.072152	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1035071"	117.003652	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1255010"	242.987385	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1319648"	245.043372	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1332404"	267.025329	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"925653"	277.054086	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1303453"	313.030764	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1380155"	129.055824	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1397897"	147.0658	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"294423"	329.144276	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"690129"	493.212776	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1361736"	165.075776	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"136085"	165.075776	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"578926"	247.110026	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1044445"	83.041526	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"216354"	110.386276	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"654823"	165.075776	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1172217"	55.696776	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"430025"	346.170823	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"792112"	510.239323	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1682978"	182.102323	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"344384"	173.5890495	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"738338"	255.6232995	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1487346"	91.5547995	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"402743"	351.126218	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"758635"	515.194718	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1608190"	187.057718	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"322964"	176.066747	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"712107"	258.100997	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1464833"	94.032497	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1060268"	63.02409	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1260853"	197.101986	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"388178"	367.100158	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"743707"	531.168658	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1552321"	203.031658	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"306215"	184.053717	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"703013"	266.087967	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1454646"	102.019467	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"237052"	370.170826	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1214867"	206.102326	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1198751"	103.554801	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"194905"	373.10816	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"636652"	537.17666	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1143441"	209.03966	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"181993"	187.057718	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"624471"	269.091968	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1128703"	105.023468	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1409679"	70.351404	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1443861"	211.081246	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"231488"	192.09074	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1519551"	225.13329	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"420693"	195.044688	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"776218"	277.078938	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1671460"	113.010438	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"253242"	392.152768	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1233973"	228.084268	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1716297"	228.107793	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1182747"	77.678718	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1654827"	233.063188	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"159499"	405.05604	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"599422"	569.12454	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1086851"	240.98754	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"144760"	203.031658	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"586506"	285.065908	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1072475"	120.997408	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1102766"	243.002092	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1338061"	243.089707	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1011333"	247.128876	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1525810"	248.122508	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"994813"	124.068076	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1590415"	249.037128	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1415344"	279.068638	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1157298"	144.581351	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1704666"	296.095185	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1647972"	301.05058	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1574876"	317.02452	"C02476"	"alpha-L-Rhamnose;alpha-6-Deoxy-L-mannose;alpha-L-Mannomethylose;alpha-L-Rhamnopyranose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"810713"	430.3811	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M"	0
"984245"	411.36271	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-H2O-H"	-19.01839
"71395"	285.913457333333	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M-3H"	-3.021828
"507677"	429.373824	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M-3H"	-3.021828
"885479"	142.453090666667	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-3H"	-3.021828
"7333"	429.373824	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M-2H"	-2.014552
"446896"	644.564374	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M-2H"	-2.014552
"821419"	214.183274	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-2H"	-2.014552
"87609"	859.754924	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M-H"	-1.007276
"526439"	1290.136024	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M-H"	-1.007276
"907891"	429.373824	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-H"	-1.007276
"57526"	876.781471	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M-2H+NH4"	16.019271
"493805"	1307.162571	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M-2H+NH4"	16.019271
"872701"	446.400371	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-2H+NH4"	16.019271
"35135"	881.736866	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M-2H+Na"	20.974666
"479068"	1312.117966	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M-2H+Na"	20.974666
"859057"	451.355766	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-2H+Na"	20.974666
"1629320"	451.355766	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Na-2H"	20.974666
"106209"	447.362163	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M-H+Cl"	33.962126
"546862"	662.552713	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M-H+Cl"	33.962126
"930537"	232.171613	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-H+Cl"	33.962126
"271280"	895.731602	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+Cl"	34.969402
"662611"	1326.112702	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+Cl"	34.969402
"1279390"	465.350502	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Cl"	34.969402
"29611"	897.710806	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M-2H+K"	36.948606
"467709"	1328.091906	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M-2H+K"	36.948606
"846974"	467.329706	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-2H+K"	36.948606
"1570222"	467.329706	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+K-2H"	36.948606
"956894"	475.379294	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-H+HCOOH"	44.998194
"375467"	905.760401	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+HCOOH-H"	44.998201
"358260"	919.776051	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+Hac-H"	59.013851
"1504909"	489.394951	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Hac-H"	59.013851
"970263"	497.361251	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-H+NaCOOH"	66.980151
"119169"	465.350502	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+2Cl"	69.938804
"560913"	680.541052	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+2Cl"	69.938804
"1033720"	250.159952	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2Cl"	69.938804
"1253661"	509.299985	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Br"	78.918885
"1310643"	511.355972	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Cl+HCOOH"	80.974872
"1330324"	533.337929	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Cl+NaCOOH"	102.956829
"920290"	543.366686	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M-H+CF3COOH"	112.985586
"1298092"	579.343364	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Cl+CF3COOH"	148.962264
"1375160"	395.368424	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H-2H2O"	-35.012676
"1391565"	413.3784	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H-H2O"	-17.0027
"292343"	861.769476	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+H"	1.007276
"685860"	1292.150576	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+H"	1.007276
"1363668"	431.388376	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H"	1.007276
"139841"	431.388376	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+2H"	2.014552
"576850"	646.578926	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+2H"	2.014552
"1041275"	216.197826	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2H"	2.014552
"214642"	287.928009333333	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+3H"	3.021828
"648737"	431.388376	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+3H"	3.021828
"1167954"	144.467642666667	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+3H"	3.021828
"425756"	878.796023	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+NH4"	18.033823
"792220"	1309.177123	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+NH4"	18.033823
"1682478"	448.414923	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+NH4"	18.033823
"344489"	439.9016495	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+H+NH4"	19.041099
"731446"	655.0921995	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+H+NH4"	19.041099
"1483079"	224.7110995	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H+NH4"	19.041099
"399571"	883.751418	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+Na"	22.989218
"756191"	1314.132518	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+Na"	22.989218
"1610849"	453.370318	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Na"	22.989218
"323072"	442.379347	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+H+Na"	23.996494
"714402"	657.569897	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+H+Na"	23.996494
"1470411"	227.188797	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H+Na"	23.996494
"1063657"	151.794956666667	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2H+Na"	25.00377
"1265336"	463.414586	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+CH3OH+H"	33.033486
"387194"	899.725358	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+K"	38.963158
"741630"	1330.106458	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+K"	38.963158
"1545869"	469.344258	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+K"	38.963158
"309602"	450.366317	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+H+K"	39.970434
"703123"	665.556867	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+H+K"	39.970434
"1459130"	235.175767	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H+K"	39.970434
"242265"	902.796026	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+ACN+H"	42.033826
"1213884"	472.414926	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+ACN+H"	42.033826
"1198861"	236.711101	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+ACN+2H"	43.041102
"199389"	905.73336	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+2Na-H"	44.97116
"640043"	1336.11446	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+2Na-H"	44.97116
"1144645"	475.35226	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2Na-H"	44.97116
"181375"	453.370318	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+2Na"	45.978436
"625311"	668.560868	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+2Na"	45.978436
"1128453"	238.179768	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2Na"	45.978436
"1411248"	159.122270666667	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H+2Na"	46.985712
"1434613"	477.393846	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H+HCOOH"	47.012746
"234150"	458.40334	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+3H2O+2H"	56.04448
"1522577"	491.44589	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+IsoProp+H"	61.06479
"421532"	461.357288	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+Na+K"	61.952376
"779610"	676.547838	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+Na+K"	61.952376
"1674850"	246.166738	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Na+K"	61.952376
"253838"	924.777968	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+ACN+Na"	64.015768
"1234083"	494.396868	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+ACN+Na"	64.015768
"1716407"	494.420393	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+NH4+HCOOH"	64.039293
"1182857"	166.449584666667	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+3Na"	68.967654
"1654937"	499.375788	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Na+HCOOH"	68.994688
"159609"	937.68124	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+2K-H"	76.91904
"602449"	1368.06234	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+2K-H"	76.91904
"1089147"	507.30014	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2K-H"	76.91904
"150337"	469.344258	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"2M+2K"	77.926316
"589896"	684.534808	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"3M+2K"	77.926316
"1075503"	254.153708	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2K"	77.926316
"1106523"	509.314692	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2K+H"	78.933592
"1339630"	509.402307	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+DMSO+H"	79.021207
"1008887"	513.441476	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2ACN+H"	83.060376
"1527742"	514.435108	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+IsoProp+Na+H"	84.054008
"994923"	257.224376	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+2ACN+2H"	84.067652
"1592712"	515.349728	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+K+HCOOH"	84.968628
"1416547"	545.381238	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+H+CF3COOH"	115.000138
"1156315"	277.737651	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+3ACN+2H"	125.094202
"1700401"	562.407785	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+NH4+CF3COOH"	132.026685
"1642615"	567.36318	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+Na+CF3COOH"	136.98208
"1574986"	583.33712	"C02477"	"alpha-Tocopherol;Vitamin E"	"C29H50O2"	"430.3811"	"M+K+CF3COOH"	152.95602
"807542"	150.0528	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M"	0
"976703"	131.03441	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"64946"	99.027924	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507786"	149.045524	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"883762"	49.010324	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"5254"	149.045524	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"441901"	224.071924	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"823712"	74.019124	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"79331"	299.098324	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"527644"	449.151124	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"909094"	149.045524	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"56541"	316.124871	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"493915"	466.177671	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"873905"	166.072071	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"42899"	321.080266	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"482095"	471.133066	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"856979"	171.027466	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1626511"	171.027466	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"104132"	167.033863	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"535671"	242.060263	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"931739"	92.007463	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"271393"	335.075002	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"668189"	485.127802	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1282054"	185.022202	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"30445"	337.054206	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"470002"	487.107006	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"848467"	187.001406	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1570214"	187.001406	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"956996"	195.050994	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"374854"	345.103801	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"358372"	359.119451	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1505383"	209.066651	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"972192"	217.032951	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"119280"	185.022202	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"561025"	260.048602	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1034926"	109.995802	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1250491"	228.971685	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1312940"	231.027672	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1328248"	253.009629	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"917119"	263.038386	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1300389"	299.015064	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1375270"	115.040124	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1397386"	133.0501	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"290267"	301.112876	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"687792"	451.165676	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1359040"	151.060076	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"137396"	151.060076	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"572582"	226.086476	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1039317"	76.033676	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"211470"	101.042476	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"652123"	151.060076	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1165266"	51.024876	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"425867"	318.139423	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"787587"	468.192223	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1693039"	168.086623	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"343508"	159.5733495	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"731556"	234.5997495	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1489753"	84.5469495	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"400046"	323.094818	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"759585"	473.147618	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1605494"	173.042018	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"319905"	162.051047	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"716701"	237.077447	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1475993"	87.024647	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1064864"	58.35219	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1268729"	183.086286	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"389491"	339.068758	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"745019"	489.121558	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1548167"	189.015958	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"308625"	170.038017	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"701046"	245.064417	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1457053"	95.011617	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"240187"	342.139426	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1211438"	192.086626	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1194836"	96.546951	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"197311"	345.07676	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"639059"	495.12956	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1140379"	195.02396	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"186954"	173.042018	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"626879"	248.068418	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1130386"	98.015618	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1412086"	65.679504	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1440191"	197.065546	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"232071"	178.07504	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1522684"	211.11759	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"419817"	181.028988	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"778628"	256.055388	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1667914"	106.002588	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"262578"	364.121368	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1230913"	214.068568	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1717613"	214.092093	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1181872"	73.006818	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1652855"	219.047488	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"161902"	377.02464	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"603652"	527.07744	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1088161"	226.97184	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"147164"	189.015958	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"587819"	264.042358	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1073425"	113.989558	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1101654"	228.986392	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1340836"	229.074007	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1010461"	233.113176	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1527855"	234.106808	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"999412"	117.060226	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1592821"	235.021428	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1418480"	265.052938	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1156430"	137.573501	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1702700"	282.079485	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1642725"	287.03488	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1577284"	303.00882	"C02479"	"beta-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"807652"	142.0266	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M"	0
"979000"	123.00821	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"68336"	93.677124	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"507896"	141.019324	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"883872"	46.334924	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"5364"	141.019324	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"443104"	212.032624	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"821636"	70.006024	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"83817"	283.045924	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"526661"	425.072524	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"909934"	141.019324	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"56651"	300.072471	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"497305"	442.099071	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"874015"	158.045871	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"42281"	305.027866	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"482569"	447.054466	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"857089"	163.001266	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1626620"	163.001266	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"104242"	159.007663	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"536146"	230.020963	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"932942"	87.994363	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"273689"	319.022602	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"667206"	461.049202	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1283257"	176.996002	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"30924"	321.001806	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"469020"	463.028406	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"848040"	178.975206	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1571013"	178.975206	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"956377"	187.024794	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"376815"	329.051401	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"360424"	343.067051	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1504763"	201.040451	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"972303"	209.006751	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"121211"	176.996002	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"561862"	248.009302	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1033576"	105.982702	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1247321"	220.945485	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1313050"	223.001472	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1326171"	244.983429	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"918323"	255.012186	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1295030"	290.988864	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1372100"	107.013924	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1388504"	125.0239	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"290377"	285.060476	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"683892"	427.087076	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1365345"	143.033876	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"132039"	143.033876	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"569412"	214.047176	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1037967"	72.020576	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"214859"	95.691676	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"648953"	143.033876	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1163796"	48.349476	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"424639"	302.087023	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"786604"	444.113623	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1693149"	160.060423	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"343254"	151.5471495	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"731666"	222.5604495	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1489863"	80.5338495	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"399792"	307.042418	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"758602"	449.069018	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1605604"	165.015818	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"320379"	154.024847	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"715718"	225.038147	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1475619"	83.011547	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1063881"	55.67679	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1267746"	175.060086	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"388508"	323.016358	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"746222"	465.042958	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1544995"	180.989758	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"304359"	162.011817	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"695688"	233.025117	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1449508"	90.998517	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"242483"	326.087026	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1214098"	184.060426	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1195183"	92.533851	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"188700"	329.02436	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"634793"	471.05096	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1139394"	186.99776	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"185972"	165.015818	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"626625"	236.029118	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1130496"	94.002518	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1412194"	63.004104	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1440301"	189.039346	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"233275"	170.04884	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1523523"	203.09139	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"422484"	173.002788	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"778738"	244.016088	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1670698"	101.989488	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"262324"	348.068968	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1231023"	206.042368	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1718816"	206.065893	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1184168"	70.331418	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1651264"	211.021288	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"158369"	360.97224	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"598295"	502.99884	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1086085"	218.94564	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"143266"	180.989758	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"585743"	252.003058	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1072442"	109.976458	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1102372"	220.960192	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1339123"	221.047807	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1010571"	225.086976	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1527601"	226.080608	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"998429"	113.047126	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1592931"	226.995228	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1419683"	257.026738	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1157633"	133.560401	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1702810"	274.053285	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1642835"	279.00868	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1577394"	294.98262	"C02480"	"ciscis-Muconate;ciscis-Hexadienedioate;ciscis-24-Hexadienedioic acid"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"811042"	416.3654	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M"	0
"980203"	397.34701	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-H2O-H"	-19.01839
"68446"	276.569657333333	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M-3H"	-3.021828
"504726"	415.358124	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M-3H"	-3.021828
"882889"	137.781190666667	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-3H"	-3.021828
"3651"	415.358124	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H"	-2.014552
"441270"	623.540824	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H"	-2.014552
"818708"	207.175424	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H"	-2.014552
"80647"	831.723524	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M-H"	-1.007276
"521301"	1248.088924	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M-H"	-1.007276
"906760"	415.358124	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-H"	-1.007276
"54573"	848.750071	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H+NH4"	16.019271
"497052"	1265.115471	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H+NH4"	16.019271
"874125"	432.384671	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H+NH4"	16.019271
"41661"	853.705466	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H+Na"	20.974666
"478305"	1270.070866	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H+Na"	20.974666
"858292"	437.340066	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H+Na"	20.974666
"1625637"	437.340066	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na-2H"	20.974666
"102165"	433.346463	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M-H+Cl"	33.962126
"538445"	641.529163	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M-H+Cl"	33.962126
"930866"	225.163763	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+Cl"	33.962126
"273798"	867.700202	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Cl"	34.969402
"668409"	1284.065602	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+Cl"	34.969402
"1284460"	451.334802	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl"	34.969402
"30546"	869.679406	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H+K"	36.948606
"468767"	1286.044806	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H+K"	36.948606
"845841"	453.314006	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H+K"	36.948606
"1566048"	453.314006	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+K-2H"	36.948606
"956121"	461.363594	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+HCOOH"	44.998194
"375797"	877.729001	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+HCOOH-H"	44.998201
"360652"	891.744651	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Hac-H"	59.013851
"1506937"	475.379251	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Hac-H"	59.013851
"971685"	483.345551	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+NaCOOH"	66.980151
"121686"	451.334802	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2Cl"	69.938804
"561245"	659.517502	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2Cl"	69.938804
"1034053"	243.152102	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2Cl"	69.938804
"1246338"	495.284285	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Br"	78.918885
"1313160"	497.340272	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl+HCOOH"	80.974872
"1328467"	519.322229	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl+NaCOOH"	102.956829
"918432"	529.350986	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+CF3COOH"	112.985586
"1296233"	565.327664	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl+CF3COOH"	148.962264
"1375489"	381.352724	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H-2H2O"	-35.012676
"1391894"	399.3627	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H-H2O"	-17.0027
"290487"	833.738076	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H"	1.007276
"684002"	1250.103476	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H"	1.007276
"1365091"	417.372676	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H"	1.007276
"134336"	417.372676	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2H"	2.014552
"571709"	625.555376	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2H"	2.014552
"1038319"	209.189976	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2H"	2.014552
"214969"	278.584209333333	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+3H"	3.021828
"649063"	417.372676	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+3H"	3.021828
"1164999"	139.795742666667	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+3H"	3.021828
"427179"	850.764623	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+NH4"	18.033823
"786470"	1267.130023	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+NH4"	18.033823
"1693259"	434.399223	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+NH4"	18.033823
"340450"	425.8859495	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H+NH4"	19.041099
"729590"	634.0686495	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H+NH4"	19.041099
"1489973"	217.7032495	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+NH4"	19.041099
"402089"	855.720018	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Na"	22.989218
"756159"	1272.085418	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+Na"	22.989218
"1604255"	439.354618	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na"	22.989218
"319030"	428.363647	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H+Na"	23.996494
"715828"	636.546347	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H+Na"	23.996494
"1469651"	220.180947	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+Na"	23.996494
"1063991"	147.123056666667	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2H+Na"	25.00377
"1270043"	449.398886	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+CH3OH+H"	33.033486
"386431"	871.693958	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+K"	38.963158
"746333"	1288.059358	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+K"	38.963158
"1545105"	455.328558	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+K"	38.963158
"304469"	436.350617	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H+K"	39.970434
"696891"	644.533317	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H+K"	39.970434
"1451805"	228.167917	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+K"	39.970434
"241500"	874.764626	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+ACN+H"	42.033826
"1216395"	458.399226	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+ACN+H"	42.033826
"1194605"	229.703251	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+ACN+2H"	43.041102
"189055"	877.70196	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2Na-H"	44.97116
"634903"	1294.06736	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2Na-H"	44.97116
"1138411"	461.33656	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2Na-H"	44.97116
"186082"	439.354618	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2Na"	45.978436
"627344"	647.537318	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2Na"	45.978436
"1130849"	231.171918	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2Na"	45.978436
"1412670"	154.450370666667	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+2Na"	46.985712
"1440411"	463.378146	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+HCOOH"	47.012746
"234480"	444.38764	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+3H2O+2H"	56.04448
"1521446"	477.43019	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+IsoProp+H"	61.06479
"423932"	447.341588	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Na+K"	61.952376
"782128"	655.524288	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+Na+K"	61.952376
"1675182"	239.158888	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na+K"	61.952376
"261705"	896.746568	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+ACN+Na"	64.015768
"1231133"	480.381168	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+ACN+Na"	64.015768
"1718926"	480.404693	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+NH4+HCOOH"	64.039293
"1183185"	161.777684666667	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+3Na"	68.967654
"1651983"	485.360088	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na+HCOOH"	68.994688
"159938"	909.64984	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2K-H"	76.91904
"600592"	1326.01524	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2K-H"	76.91904
"1087288"	493.28444	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2K-H"	76.91904
"144106"	455.328558	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2K"	77.926316
"591320"	663.511258	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2K"	77.926316
"1076926"	247.145858	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2K"	77.926316
"1102115"	495.298992	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2K+H"	78.933592
"1338140"	495.386607	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+DMSO+H"	79.021207
"1010681"	499.425776	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2ACN+H"	83.060376
"1526618"	500.419408	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+IsoProp+Na+H"	84.054008
"998539"	250.216526	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+2ACN+2H"	84.067652
"1591948"	501.334028	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+K+HCOOH"	84.968628
"1417607"	531.365538	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+CF3COOH"	115.000138
"1157743"	270.729801	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+3ACN+2H"	125.094202
"1702920"	548.392085	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+NH4+CF3COOH"	132.026685
"1639665"	553.34748	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na+CF3COOH"	136.98208
"1577504"	569.32142	"C02483"	"gamma-Tocopherol"	"C28H48O2"	"416.3654"	"M+K+CF3COOH"	152.95602
"811152"	154.1358	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M"	0
"980313"	135.11741	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"69649"	101.749924	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"504106"	153.128524	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"884821"	50.371324	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"7769"	153.128524	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"442593"	230.196424	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"820033"	76.060624	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"80757"	307.264324	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"519345"	461.400124	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"907598"	153.128524	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"55776"	324.290871	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"495338"	478.426671	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"875330"	170.155071	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"38854"	329.246266	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"477321"	483.382066	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"856216"	175.110466	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1625747"	175.110466	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"103368"	171.116863	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"538554"	248.184763	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"930975"	94.048963	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"270627"	343.241002	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"667424"	497.376802	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1283838"	189.105202	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"29685"	345.220206	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"469849"	499.356006	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"844124"	191.084406	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1567615"	191.084406	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"952219"	199.133994	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"375420"	353.269801	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"360521"	367.285451	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1507410"	213.149651	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"974012"	221.115951	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"123982"	189.105202	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"563175"	266.173102	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1032337"	112.037302	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1248634"	233.054685	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1316551"	235.110672	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1329673"	257.092629	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"916356"	267.121386	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1295249"	303.098064	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1376691"	119.123124	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1392004"	137.1331	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"290597"	309.278876	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"689945"	463.414676	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1364836"	155.143076	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"135540"	155.143076	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"572913"	232.210976	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1044992"	78.075176	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"208520"	103.764476	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"651359"	155.143076	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1168390"	52.385876	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"430570"	326.305423	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"786703"	480.441223	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696611"	172.169623	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"342743"	163.6563495	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"731888"	240.7242495	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1490083"	86.5884495	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"397826"	331.260818	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"758090"	485.396618	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1606916"	177.125018	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"320233"	166.134047	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"719218"	243.201947	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1473040"	89.066147	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1065194"	59.71319	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1271247"	187.169286	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"392008"	347.234758	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"749724"	501.370558	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1547400"	193.098958	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"306764"	174.121017	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"697002"	251.188917	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449728"	97.053117	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"239424"	350.305426	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1217598"	196.169626	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1195284"	98.588451	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"189124"	353.24276	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"636106"	507.37856	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1138521"	199.10696	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"186553"	177.125018	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"625749"	254.192918	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1130107"	100.057118	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1412537"	67.040504	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1438334"	201.148546	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"231309"	182.15804	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1520463"	215.20059	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"424234"	185.111988	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"783332"	262.179888	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1675292"	108.044088	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265461"	372.287368	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1232336"	218.151568	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1719036"	218.175093	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1182566"	74.367818	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1652093"	223.130488	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"160413"	385.19064	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"602889"	539.32644	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1090679"	231.05484	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"146402"	193.098958	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"591430"	270.166858	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1077036"	116.031058	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1103684"	233.069392	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1337882"	233.157007	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1009701"	237.196176	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1525635"	238.189808	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"996463"	119.101726	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1592058"	239.104428	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1419904"	269.135938	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1157853"	139.615001	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1703030"	286.162485	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1636494"	291.11788	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1578707"	307.09182	"C02484"	"()-trans-Pulegol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"811262"	150.1045	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M"	0
"981518"	131.08611	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"69759"	99.0623906666667	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"504944"	149.097224	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"881045"	49.0275573333333	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"1681"	149.097224	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"442703"	224.149474	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"819414"	74.044974	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"80867"	299.201724	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"519453"	449.306224	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"906979"	149.097224	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"53702"	316.228271	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"496542"	466.332771	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"875438"	166.123771	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"36777"	321.183666	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"476338"	471.288166	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"856326"	171.079166	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1629137"	171.079166	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"104572"	167.085563	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"536476"	242.137813	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"932180"	92.033313	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"275112"	335.178402	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"669721"	485.282902	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1285407"	185.073902	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"30034"	337.157606	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"468621"	487.262106	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"845327"	187.053106	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1566629"	187.053106	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"950499"	195.102694	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"368357"	345.207201	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"356251"	359.222851	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1507158"	209.118351	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"973364"	217.084651	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"124087"	185.073902	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"564747"	260.126152	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1034270"	110.021652	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1247650"	229.023385	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1316661"	231.079372	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1331969"	253.061329	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"915373"	263.090086	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1290987"	299.066764	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1373519"	115.091824	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1392114"	133.1018	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"290707"	301.216276	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"688596"	451.320776	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1357291"	151.111776	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"133462"	151.111776	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"570835"	226.164026	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1039636"	76.059526	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"211909"	101.076942666667	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"646003"	151.111776	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1167406"	51.0421093333333	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"425212"	318.242823	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"786083"	468.347323	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1692388"	168.138323	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"340667"	159.6250495	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"730905"	234.6772995	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1484723"	84.5727995	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"398664"	323.198218	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"758200"	473.302718	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1605933"	173.093718	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"322530"	162.102747	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"714955"	237.154997	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1469870"	87.050497	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1058743"	58.3694233333333	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1268077"	183.137986	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"387744"	339.172158	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"743272"	489.276658	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1543137"	189.067658	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"302501"	170.089717	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"697112"	245.141967	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1448744"	95.037467	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"236859"	342.242826	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1210091"	192.138326	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1194578"	96.572801	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"189356"	345.18016	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"630382"	495.28466	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1138994"	195.07566	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"185933"	173.093718	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"623671"	248.145968	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1129000"	98.041468	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1412403"	65.6967373333333	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1438444"	197.117246	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"231419"	178.12674	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1519115"	211.16929	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"422448"	181.080688	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"783077"	256.132938	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1676495"	106.028438	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"264844"	364.224768	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1231353"	214.120268	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1721333"	214.143793	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1181583"	73.0240513333333	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1651107"	219.099188	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"159066"	377.12804	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"598625"	527.23254	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1090788"	227.02354	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"144324"	189.067658	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"589353"	264.119908	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1074958"	114.015408	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1102335"	229.038092	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1337626"	229.125707	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1009811"	233.164876	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1526226"	234.158508	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"996573"	117.086076	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1592168"	235.073128	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1417827"	265.104638	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1157963"	137.599351	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1703140"	282.131185	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1636604"	287.08658	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1577724"	303.06052	"C02485"	"(-)-Isopiperitenone;(-)-(4R)-Isopiperitenone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"811372"	131.0946	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M"	0
"982719"	112.07621	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"66589"	86.389124	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"503962"	130.087324	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"880303"	42.690924	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"5808"	130.087324	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"447556"	195.634624	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"824265"	64.540024	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"84258"	261.181924	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"531109"	392.276524	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"909644"	130.087324	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"57091"	278.208471	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"499932"	409.303071	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"872267"	147.113871	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"34701"	283.163866	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"477541"	414.258466	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"858623"	152.069266	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1625969"	152.069266	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"97029"	148.075663	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"536588"	213.622963	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"934479"	82.528363	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"274131"	297.158602	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"672022"	428.253202	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1285520"	166.064002	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"27715"	299.137806	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"468733"	430.232406	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"837784"	168.043206	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1560179"	168.043206	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"945875"	176.092794	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"370654"	307.187401	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"358915"	321.203051	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1504831"	190.108451	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"969092"	198.074751	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"122739"	166.064002	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"563394"	231.611302	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1029275"	100.516702	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1249947"	210.013485	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1310209"	212.069472	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1328799"	234.051429	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"918763"	244.080186	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1295471"	280.056864	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1374726"	96.081924	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1392224"	114.0919	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"289725"	263.196476	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"682144"	394.291076	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1355215"	132.101876	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"132477"	132.101876	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"567665"	197.649176	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1041932"	66.554576	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"204968"	88.403676	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"644654"	132.101876	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1162813"	44.705476	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"424961"	280.223023	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"797261"	411.317623	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1693593"	149.128423	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"337500"	140.6151495	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"732109"	206.1624495	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1481552"	75.0678495	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"397680"	285.178418	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"759041"	416.273018	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1605314"	154.083818	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"317902"	143.092847	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"709595"	208.640147	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1467061"	77.545547	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1061038"	52.03279	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1265999"	164.128086	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"386760"	301.152358	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"744476"	432.246958	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1545435"	170.057758	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"304801"	151.079817	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"700503"	216.627117	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1453230"	85.532517	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"235952"	304.223026	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1213084"	173.128426	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1194655"	87.067851	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"188707"	307.16036	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"634138"	438.25496	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1143846"	176.06576	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"183127"	154.083818	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"627429"	219.631118	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1128383"	88.536518	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1408626"	59.360104	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1443656"	178.107346	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"229343"	159.11684	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1520683"	192.15939	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"419275"	162.070788	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"784645"	227.618088	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1675512"	96.523488	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"262037"	326.204968	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1233650"	195.110368	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1724724"	195.133893	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1184610"	66.687418	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1650857"	200.089288	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"162093"	339.10824	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"598735"	470.20284	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1085432"	208.01364	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"144802"	170.057758	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"588369"	235.605058	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1076162"	104.510458	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1103173"	210.028192	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1336522"	210.115807	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1011014"	214.154976	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1526951"	215.148608	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"998871"	107.581126	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1597746"	216.063228	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1417937"	246.094738	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1156980"	128.094401	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1702156"	263.121285	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1639995"	268.07668	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1581113"	284.05062	"C02486"	"(3R)-beta-Leucine;(3R)-3-Amino-4-methylpentanoic acid;(3R)-3-Amino-4-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"811482"	301.1638	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M"	0
"981736"	282.14541	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-H2O-H"	-19.01839
"63784"	199.768590666667	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M-3H"	-3.021828
"504073"	300.156524	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M-3H"	-3.021828
"880045"	99.3806573333333	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-3H"	-3.021828
"572"	300.156524	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M-2H"	-2.014552
"446573"	450.738424	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M-2H"	-2.014552
"822189"	149.574624	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-2H"	-2.014552
"84368"	601.320324	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M-H"	-1.007276
"531219"	902.484124	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M-H"	-1.007276
"910361"	300.156524	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-H"	-1.007276
"57201"	618.346871	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M-2H+NH4"	16.019271
"496761"	919.510671	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M-2H+NH4"	16.019271
"871284"	317.183071	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-2H+NH4"	16.019271
"38092"	623.302266	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M-2H+Na"	20.974666
"475829"	924.466066	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M-2H+Na"	20.974666
"855454"	322.138466	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-2H+Na"	20.974666
"1626079"	322.138466	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Na-2H"	20.974666
"99324"	318.144863	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M-H+Cl"	33.962126
"535606"	468.726763	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M-H+Cl"	33.962126
"932402"	167.562963	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-H+Cl"	33.962126
"272053"	637.297002	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+Cl"	34.969402
"665571"	938.460802	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+Cl"	34.969402
"1277974"	336.133202	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Cl"	34.969402
"26002"	639.276206	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M-2H+K"	36.948606
"465560"	940.440006	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M-2H+K"	36.948606
"840082"	338.112406	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-2H+K"	36.948606
"1561382"	338.112406	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+K-2H"	36.948606
"948172"	346.161994	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-H+HCOOH"	44.998194
"365296"	647.325801	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+HCOOH-H"	44.998201
"359025"	661.341451	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+Hac-H"	59.013851
"1503848"	360.177651	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Hac-H"	59.013851
"966650"	368.143951	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-H+NaCOOH"	66.980151
"122849"	336.133202	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+2Cl"	69.938804
"563504"	486.715102	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+2Cl"	69.938804
"1028292"	185.551302	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2Cl"	69.938804
"1246777"	380.082685	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Br"	78.918885
"1315786"	382.138672	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Cl+HCOOH"	80.974872
"1328909"	404.120629	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Cl+NaCOOH"	102.956829
"916685"	414.149386	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M-H+CF3COOH"	112.985586
"1292301"	450.126064	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Cl+CF3COOH"	148.962264
"1372650"	266.151124	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H-2H2O"	-35.012676
"1383586"	284.1611	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H-H2O"	-17.0027
"286553"	603.334876	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+H"	1.007276
"678972"	904.498676	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+H"	1.007276
"1354231"	302.171076	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H"	1.007276
"131493"	302.171076	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+2H"	2.014552
"568867"	452.752976	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+2H"	2.014552
"1040948"	151.589176	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2H"	2.014552
"205077"	201.783142666667	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+3H"	3.021828
"644761"	302.171076	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+3H"	3.021828
"1166537"	101.395209333333	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+3H"	3.021828
"425071"	620.361423	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+NH4"	18.033823
"797371"	921.525223	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+NH4"	18.033823
"1693703"	319.197623	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+NH4"	18.033823
"338705"	310.6843495	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+H+NH4"	19.041099
"734406"	461.2662495	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+H+NH4"	19.041099
"1483120"	160.1024495	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H+NH4"	19.041099
"397790"	625.316818	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+Na"	22.989218
"759515"	926.480618	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+Na"	22.989218
"1604695"	324.153018	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Na"	22.989218
"317649"	313.162047	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+H+Na"	23.996494
"709705"	463.743947	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+H+Na"	23.996494
"1468993"	162.580147	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H+Na"	23.996494
"1061148"	108.722523333333	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2H+Na"	25.00377
"1266109"	334.197286	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+CH3OH+H"	33.033486
"386870"	641.290758	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+K"	38.963158
"744586"	942.454558	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+K"	38.963158
"1544452"	340.126958	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+K"	38.963158
"304911"	321.149017	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+H+K"	39.970434
"694053"	471.730917	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+H+K"	39.970434
"1451152"	170.567117	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H+K"	39.970434
"237567"	644.361426	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+ACN+H"	42.033826
"1214288"	343.197626	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+ACN+H"	42.033826
"1194724"	172.102451	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+ACN+2H"	43.041102
"188609"	647.29876	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+2Na-H"	44.97116
"635341"	948.46256	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+2Na-H"	44.97116
"1143956"	346.13496	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2Na-H"	44.97116
"182873"	324.153018	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+2Na"	45.978436
"628274"	474.734918	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+2Na"	45.978436
"1130806"	173.571118	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2Na"	45.978436
"1413970"	116.049837333333	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H+2Na"	46.985712
"1444622"	348.176546	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H+HCOOH"	47.012746
"235165"	329.18604	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+3H2O+2H"	56.04448
"1522495"	362.22859	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+IsoProp+H"	61.06479
"419385"	332.139988	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+Na+K"	61.952376
"784878"	482.721888	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+Na+K"	61.952376
"1676715"	181.558088	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Na+K"	61.952376
"263240"	666.343368	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+ACN+Na"	64.015768
"1233760"	365.179568	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+ACN+Na"	64.015768
"1718637"	365.203093	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+NH4+HCOOH"	64.039293
"1185084"	123.377151333333	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+3Na"	68.967654
"1653883"	370.158488	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Na+HCOOH"	68.994688
"161839"	679.24664	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+2K-H"	76.91904
"598846"	980.41044	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+2K-H"	76.91904
"1085908"	378.08284	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2K-H"	76.91904
"143820"	340.126958	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"2M+2K"	77.926316
"586293"	490.708858	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"3M+2K"	77.926316
"1074085"	189.545058	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2K"	77.926316
"1102919"	380.097392	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2K+H"	78.933592
"1336754"	380.185007	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+DMSO+H"	79.021207
"1011124"	384.224176	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2ACN+H"	83.060376
"1527061"	385.217808	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+IsoProp+Na+H"	84.054008
"1001167"	192.615726	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+2ACN+2H"	84.067652
"1596763"	386.132428	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+K+HCOOH"	84.968628
"1419141"	416.163938	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+H+CF3COOH"	115.000138
"1158184"	213.129001	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+3ACN+2H"	125.094202
"1708828"	433.190485	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+NH4+CF3COOH"	132.026685
"1640105"	438.14588	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+Na+CF3COOH"	136.98208
"1574662"	454.11982	"C02487"	"(Ac)2-L-Lys-D-Ala;(Ac)2-L-lysyl-D-alanine"	"C13H23N3O5"	"301.1638"	"M+K+CF3COOH"	152.95602
"811592"	162.0528	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M"	0
"978566"	143.03441	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"63894"	107.027924	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"503493"	161.045524	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"880399"	53.010324	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"227"	161.045524	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"447776"	242.071924	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"822299"	80.019124	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"84478"	323.098324	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"530236"	485.151124	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"908770"	161.045524	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"57311"	340.124871	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"495778"	502.177671	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"870301"	178.072071	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"38202"	345.080266	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"475575"	507.133066	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"854470"	183.027466	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1624002"	183.027466	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"99434"	179.033863	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"537173"	260.060263	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"932512"	98.007463	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"272162"	359.075002	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"666044"	521.127802	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1277355"	197.022202	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"22832"	361.054206	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"463483"	523.107006	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"838002"	199.001406	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1562581"	199.001406	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"946094"	207.050994	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"365402"	369.103801	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"349647"	383.119451	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1499216"	221.066651	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"962383"	229.032951	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"112020"	197.022202	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"556321"	278.048602	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1025121"	115.995802	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1243606"	240.971685	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1304714"	243.027672	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1325737"	265.009629	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"914607"	275.038386	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1292408"	311.015064	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1369111"	127.040124	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1383696"	145.0501	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"286662"	325.112876	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"677989"	487.165676	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1355434"	163.060076	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"129416"	163.060076	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"571163"	244.086476	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1039964"	82.033676	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"205432"	109.042476	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"644749"	163.060076	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1162953"	55.024876	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"425545"	342.139423	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"797481"	504.192223	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1693814"	180.086623	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"342094"	171.5733495	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"731236"	252.5997495	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1483962"	90.5469495	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"402278"	347.094818	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"757802"	509.147618	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1608454"	185.042018	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"319585"	174.051047	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"709088"	255.077447	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1465825"	93.024647	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1061259"	62.35219	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1265126"	195.086286	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"386982"	363.068758	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"744697"	525.121558	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1548941"	201.015958	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"306115"	182.038017	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"696350"	263.064417	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1449075"	101.011617	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"235893"	366.139426	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1215492"	204.086626	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1199378"	102.546951	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"194802"	369.07676	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"640197"	531.12956	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1146258"	207.02396	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"182253"	185.042018	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"626196"	266.068418	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1130433"	104.015618	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1413103"	69.679504	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1443634"	209.065546	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"233331"	190.07504	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1522609"	223.11759	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"423026"	193.028988	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"783655"	274.055388	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1677920"	112.002588	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"260069"	388.121368	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1234234"	226.068568	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1721298"	226.092093	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1179967"	77.006818	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1651077"	231.047488	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"159761"	401.02464	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"600415"	563.07744	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1087479"	238.97184	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"147935"	201.015958	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"588588"	282.042358	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1075288"	119.989558	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1109590"	240.986392	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1337592"	241.074007	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1009047"	245.113176	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1525348"	246.106808	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"993619"	123.060226	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1589217"	247.021428	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1416335"	277.052938	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1152825"	143.573501	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1708938"	294.079485	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1640215"	299.03488	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1574772"	315.00882	"C02488"	"(R)-2-Ethylmalate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"811706"	281.1124	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M"	0
"981960"	262.09401	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-H2O-H"	-19.01839
"68014"	186.400990666667	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M-3H"	-3.021828
"508665"	280.105124	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M-3H"	-3.021828
"886469"	92.6968573333333	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-3H"	-3.021828
"9420"	280.105124	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M-2H"	-2.014552
"447889"	420.661324	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M-2H"	-2.014552
"831286"	139.548924	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-2H"	-2.014552
"92613"	561.217524	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M-H"	-1.007276
"533393"	842.329924	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M-H"	-1.007276
"910703"	280.105124	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-H"	-1.007276
"59244"	578.244071	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M-2H+NH4"	16.019271
"500629"	859.356471	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M-2H+NH4"	16.019271
"874784"	297.131671	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-2H+NH4"	16.019271
"40496"	583.199466	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M-2H+Na"	20.974666
"477871"	864.311866	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M-2H+Na"	20.974666
"849474"	302.087066	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-2H+Na"	20.974666
"1623015"	302.087066	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Na-2H"	20.974666
"100637"	298.093463	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M-H+Cl"	33.962126
"539105"	438.649663	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M-H+Cl"	33.962126
"930431"	157.537263	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-H+Cl"	33.962126
"271541"	597.194202	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+Cl"	34.969402
"665793"	878.306602	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+Cl"	34.969402
"1281481"	316.081802	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Cl"	34.969402
"24034"	599.173406	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M-2H+K"	36.948606
"458489"	880.285806	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M-2H+K"	36.948606
"835928"	318.061006	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-2H+K"	36.948606
"1563790"	318.061006	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+K-2H"	36.948606
"947298"	326.110594	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-H+HCOOH"	44.998194
"367706"	607.223001	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+HCOOH-H"	44.998201
"353773"	621.238651	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+Hac-H"	59.013851
"1501512"	340.126251	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Hac-H"	59.013851
"962494"	348.092551	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-H+NaCOOH"	66.980151
"110674"	316.081802	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+2Cl"	69.938804
"551692"	456.638002	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+2Cl"	69.938804
"1025230"	175.525602	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2Cl"	69.938804
"1243349"	360.031285	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Br"	78.918885
"1304340"	362.087272	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Cl+HCOOH"	80.974872
"1323294"	384.069229	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Cl+NaCOOH"	102.956829
"916903"	394.097986	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M-H+CF3COOH"	112.985586
"1290696"	430.074664	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Cl+CF3COOH"	148.962264
"1369588"	246.099724	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H-2H2O"	-35.012676
"1385988"	264.1097	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H-H2O"	-17.0027
"285679"	563.232076	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+H"	1.007276
"677009"	844.344476	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+H"	1.007276
"1351899"	282.119676	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H"	1.007276
"126609"	282.119676	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+2H"	2.014552
"565748"	422.675876	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+2H"	2.014552
"1037638"	141.563476	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2H"	2.014552
"204568"	188.415542666667	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+3H"	3.021828
"647903"	282.119676	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+3H"	3.021828
"1177705"	94.7114093333333	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+3H"	3.021828
"436599"	580.258623	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+NH4"	18.033823
"796502"	861.371023	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+NH4"	18.033823
"1689916"	299.146223	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+NH4"	18.033823
"340018"	290.6329495	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+H+NH4"	19.041099
"733533"	431.1891495	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+H+NH4"	19.041099
"1486260"	150.0767495	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H+NH4"	19.041099
"402750"	585.214018	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+Na"	22.989218
"765932"	866.326418	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+Na"	22.989218
"1615125"	304.101618	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Na"	22.989218
"326255"	293.110647	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+H+Na"	23.996494
"719768"	433.666847	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+H+Na"	23.996494
"1470311"	152.554447	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H+Na"	23.996494
"1064653"	102.038723333333	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2H+Na"	25.00377
"1263049"	314.145886	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+CH3OH+H"	33.033486
"388187"	601.187958	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+K"	38.963158
"744077"	882.300358	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+K"	38.963158
"1547955"	320.075558	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+K"	38.963158
"302944"	301.097617	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+H+K"	39.970434
"695368"	441.653817	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+H+K"	39.970434
"1455752"	160.541417	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H+K"	39.970434
"244354"	604.258626	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+ACN+H"	42.033826
"1217064"	323.146226	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+ACN+H"	42.033826
"1200217"	162.076751	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+ACN+2H"	43.041102
"203061"	607.19596	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+2Na-H"	44.97116
"643468"	888.30836	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+2Na-H"	44.97116
"1145882"	326.08356	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2Na-H"	44.97116
"186010"	304.101618	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+2Na"	45.978436
"627399"	444.657818	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+2Na"	45.978436
"1130294"	163.545418	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2Na"	45.978436
"1411869"	109.366037333333	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H+2Na"	46.985712
"1441071"	328.125146	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H+HCOOH"	47.012746
"228581"	309.13464	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+3H2O+2H"	56.04448
"1521878"	342.17719	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+IsoProp+H"	61.06479
"422170"	312.088588	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+Na+K"	61.952376
"779519"	452.644788	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+Na+K"	61.952376
"1674755"	171.532388	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Na+K"	61.952376
"260180"	626.240568	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+ACN+Na"	64.015768
"1233616"	345.128168	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+ACN+Na"	64.015768
"1721773"	345.151693	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+NH4+HCOOH"	64.039293
"1182388"	116.693351333333	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+3Na"	68.967654
"1651187"	350.107088	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Na+HCOOH"	68.994688
"157318"	639.14384	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+2K-H"	76.91904
"597973"	920.25624	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+2K-H"	76.91904
"1084672"	358.03144	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2K-H"	76.91904
"143672"	320.075558	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"2M+2K"	77.926316
"585426"	460.631758	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"3M+2K"	77.926316
"1077598"	179.519358	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2K"	77.926316
"1104246"	360.045992	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2K+H"	78.933592
"1336984"	360.133607	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+DMSO+H"	79.021207
"1010253"	364.172776	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2ACN+H"	83.060376
"1539201"	365.166408	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+IsoProp+Na+H"	84.054008
"1003579"	182.590026	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+2ACN+2H"	84.067652
"1599905"	366.081028	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+K+HCOOH"	84.968628
"1421554"	396.112538	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+H+CF3COOH"	115.000138
"1162419"	203.103301	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+3ACN+2H"	125.094202
"1711239"	413.139085	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+NH4+CF3COOH"	132.026685
"1646893"	418.09448	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+Na+CF3COOH"	136.98208
"1581449"	434.06842	"C02494"	"1-Methyladenosine"	"C11H15N5O4"	"281.1124"	"M+K+CF3COOH"	152.95602
"811816"	270.0528	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M"	0
"984257"	251.03441	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"64843"	179.027924	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"504401"	269.045524	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"880256"	89.010324	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"9530"	269.045524	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"444718"	404.071924	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"831758"	134.019124	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"90896"	539.098324	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"530821"	809.151124	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"908987"	269.045524	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"60448"	556.124871	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"500739"	826.177671	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"875988"	286.072071	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"40606"	561.080266	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"473850"	831.133066	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"850436"	291.027466	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1620939"	291.027466	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"99655"	287.033863	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"535937"	422.060263	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"929449"	152.007463	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"271288"	575.075002	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"666996"	845.127802	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1279402"	305.022202	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"23051"	577.054206	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"458598"	847.107006	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"835669"	307.001406	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1562799"	307.001406	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"947040"	315.050994	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"364534"	585.103801	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"350603"	599.119451	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1495060"	329.066651	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"961508"	337.032951	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"110296"	305.022202	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"550344"	440.048602	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1021491"	169.995802	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1242607"	348.971685	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1304813"	351.027672	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1321216"	373.009629	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"915916"	383.038386	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1290805"	419.015064	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1368604"	235.040124	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1383545"	253.0501	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"285789"	541.112876	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"678212"	811.165676	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1352007"	271.060076	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"126716"	271.060076	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"565807"	406.086476	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1037382"	136.033676	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"204805"	181.042476	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"646190"	271.060076	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1177812"	91.024876	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"437560"	558.139423	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"795519"	828.192223	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1690755"	288.086623	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"340128"	279.5733495	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"733643"	414.5997495	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1486370"	144.5469495	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"402860"	563.094818	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"766042"	833.147618	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1614141"	293.042018	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"327458"	282.051047	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"719878"	417.077447	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1468235"	147.024647	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1060388"	98.35219	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1259512"	303.086286	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"387203"	579.068758	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"744916"	849.121558	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1546969"	309.015958	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"305240"	290.038017	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"697664"	425.064417	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1454768"	155.011617	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"244464"	582.139426	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1213527"	312.086626	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1199963"	156.546951	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"198304"	585.07676	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"643335"	855.12956	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1145872"	315.02396	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"187339"	293.042018	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"627874"	428.068418	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1128456"	158.015618	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1413197"	105.679504	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1441181"	317.065546	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"227598"	298.07504	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1522230"	331.11759	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"420822"	301.028988	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"778535"	436.055388	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1674866"	166.002588	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"260290"	604.121368	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1235185"	334.068568	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1719331"	334.092093	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1182498"	113.006818	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1653118"	339.047488	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"157793"	617.02464	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"598446"	887.07744	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1085872"	346.97184	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"145967"	309.015958	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"583714"	444.042358	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1077344"	173.989558	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1103263"	348.986392	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1336240"	349.074007	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1009271"	353.113176	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1538703"	354.106808	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"1001503"	177.060226	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1597100"	355.021428	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1421664"	385.052938	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1161798"	197.573501	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1711349"	402.079485	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1645909"	407.03488	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1581559"	423.00882	"C02495"	"2-Hydroxydaidzein;3-(24-Dihydroxyphenyl)-7-hydroxychromen-4-one"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"811926"	184.012	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M"	0
"986554"	164.99361	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-H2O-H"	-19.01839
"68235"	121.667390666667	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M-3H"	-3.021828
"512169"	183.004724	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M-3H"	-3.021828
"888878"	60.3300573333333	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-3H"	-3.021828
"13650"	183.004724	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M-2H"	-2.014552
"448108"	275.010724	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M-2H"	-2.014552
"831015"	90.998724	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-2H"	-2.014552
"92344"	367.016724	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M-H"	-1.007276
"532636"	551.028724	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M-H"	-1.007276
"908735"	183.004724	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-H"	-1.007276
"58737"	384.043271	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M-2H+NH4"	16.019271
"500483"	568.055271	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M-2H+NH4"	16.019271
"878773"	200.031271	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-2H+NH4"	16.019271
"40718"	388.998666	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M-2H+Na"	20.974666
"478092"	573.010666	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M-2H+Na"	20.974666
"854800"	204.986666	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-2H+Na"	20.974666
"1625425"	204.986666	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Na-2H"	20.974666
"99767"	200.993063	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M-H+Cl"	33.962126
"539327"	292.999063	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M-H+Cl"	33.962126
"929927"	108.987063	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-H+Cl"	33.962126
"270307"	402.993402	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+Cl"	34.969402
"667106"	587.005402	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+Cl"	34.969402
"1279512"	218.981402	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Cl"	34.969402
"23161"	404.972606	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M-2H+K"	36.948606
"459439"	588.984606	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M-2H+K"	36.948606
"838333"	220.960606	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-2H+K"	36.948606
"1559633"	220.960606	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+K-2H"	36.948606
"945329"	229.010194	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-H+HCOOH"	44.998194
"367923"	413.022201	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+HCOOH-H"	44.998201
"353992"	427.037851	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+Hac-H"	59.013851
"1496264"	243.025851	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Hac-H"	59.013851
"960891"	250.992151	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-H+NaCOOH"	66.980151
"111745"	218.981402	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+2Cl"	69.938804
"552278"	310.987402	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+2Cl"	69.938804
"1021921"	126.975402	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2Cl"	69.938804
"1243204"	262.930885	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Br"	78.918885
"1306384"	264.986872	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Cl+HCOOH"	80.974872
"1322787"	286.968829	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Cl+NaCOOH"	102.956829
"913845"	296.997586	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M-H+CF3COOH"	112.985586
"1291646"	332.974264	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Cl+CF3COOH"	148.962264
"1373092"	148.999324	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H-2H2O"	-35.012676
"1392775"	167.0093	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H-H2O"	-17.0027
"289181"	369.031276	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+H"	1.007276
"677229"	553.043276	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+H"	1.007276
"1351793"	185.019276	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H"	1.007276
"126461"	185.019276	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+2H"	2.014552
"566758"	277.025276	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+2H"	2.014552
"1039932"	93.013276	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2H"	2.014552
"209293"	123.681942666667	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+3H"	3.021828
"656511"	185.019276	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+3H"	3.021828
"1172457"	62.3446093333333	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+3H"	3.021828
"435728"	386.057823	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+NH4"	18.033823
"794535"	570.069823	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+NH4"	18.033823
"1694875"	202.045823	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+NH4"	18.033823
"340238"	193.5325495	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+H+NH4"	19.041099
"732660"	285.5385495	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+H+NH4"	19.041099
"1487574"	101.5265495	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H+NH4"	19.041099
"401880"	391.013218	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+Na"	22.989218
"765061"	575.025218	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+Na"	22.989218
"1615346"	207.001218	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Na"	22.989218
"324291"	196.010247	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+H+Na"	23.996494
"714523"	288.016247	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+H+Na"	23.996494
"1467253"	104.004247	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H+Na"	23.996494
"1055029"	69.6719233333333	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2H+Na"	25.00377
"1264363"	217.045486	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+CH3OH+H"	33.033486
"381845"	406.987158	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+K"	38.963158
"743935"	590.999158	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+K"	38.963158
"1540104"	222.975158	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+K"	38.963158
"298629"	203.997217	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+H+K"	39.970434
"691770"	296.003217	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+H+K"	39.970434
"1447573"	111.991217	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H+K"	39.970434
"249316"	410.057826	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+ACN+H"	42.033826
"1224091"	226.045826	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+ACN+H"	42.033826
"1205908"	113.526551	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+ACN+2H"	43.041102
"203731"	412.99516	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+2Na-H"	44.97116
"643943"	597.00716	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+2Na-H"	44.97116
"1144398"	228.98316	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2Na-H"	44.97116
"186230"	207.001218	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+2Na"	45.978436
"628191"	299.007218	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+2Na"	45.978436
"1131045"	114.995218	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2Na"	45.978436
"1414087"	76.9992373333333	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H+2Na"	46.985712
"1444209"	231.024746	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H+HCOOH"	47.012746
"227708"	212.03424	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+3H2O+2H"	56.04448
"1519059"	245.07679	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+IsoProp+H"	61.06479
"415465"	214.988188	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+Na+K"	61.952376
"775365"	306.994188	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+Na+K"	61.952376
"1677162"	122.982188	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Na+K"	61.952376
"258215"	432.039768	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+ACN+Na"	64.015768
"1235295"	248.027768	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+ACN+Na"	64.015768
"1719441"	248.051293	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+NH4+HCOOH"	64.039293
"1186618"	84.3265513333333	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+3Na"	68.967654
"1655782"	253.006688	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Na+HCOOH"	68.994688
"159362"	444.94304	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+2K-H"	76.91904
"599651"	628.95504	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+2K-H"	76.91904
"1085983"	260.93104	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2K-H"	76.91904
"143648"	222.975158	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"2M+2K"	77.926316
"591118"	314.981158	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"3M+2K"	77.926316
"1077454"	130.969158	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2K"	77.926316
"1113217"	262.945592	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2K+H"	78.933592
"1344863"	263.033207	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+DMSO+H"	79.021207
"1018495"	267.072376	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2ACN+H"	83.060376
"1535165"	268.066008	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+IsoProp+Na+H"	84.054008
"1002707"	134.039826	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+2ACN+2H"	84.067652
"1593928"	268.980628	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+K+HCOOH"	84.968628
"1415577"	299.012138	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+H+CF3COOH"	115.000138
"1158626"	154.553101	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+3ACN+2H"	125.094202
"1707083"	316.038685	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+NH4+CF3COOH"	132.026685
"1640550"	320.99408	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+Na+CF3COOH"	136.98208
"1574013"	336.96802	"C02496"	"24-Dinitrophenol"	"C6H4N2O5"	"184.012"	"M+K+CF3COOH"	152.95602
"812036"	86.0368	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M"	0
"987757"	67.01841	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"68345"	56.3505906666667	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"512279"	85.029524	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"888988"	27.6716573333333	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"13031"	85.029524	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"445302"	128.047924	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"831125"	42.011124	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"92211"	171.066324	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"533232"	257.103124	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"908481"	85.029524	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"62702"	188.092871	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"502673"	274.129671	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"876209"	102.056071	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"41923"	193.048266	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"478202"	279.085066	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"854910"	107.011466	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1627722"	107.011466	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"104251"	103.017863	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"538345"	146.036263	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"931859"	59.999463	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"272603"	207.043002	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"666122"	293.079802	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1278527"	121.006202	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"24364"	209.022206	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"458088"	295.059006	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"835160"	122.985406	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1558284"	122.985406	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"946533"	131.034994	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"368032"	217.071801	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"349728"	231.087451	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1495280"	145.050651	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"959421"	153.016951	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"110762"	121.006202	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"551416"	164.024602	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1021668"	77.987802	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1241859"	164.955685	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1306495"	167.011672	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1322897"	188.993629	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"912011"	199.022386	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1290055"	234.999064	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1373202"	51.024124	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1392885"	69.0341	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"288198"	173.080876	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"677338"	259.117676	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1352348"	87.044076	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"125803"	87.044076	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"569057"	130.062476	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1039677"	44.025676	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"207213"	58.3651426666667	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"654434"	87.044076	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1175847"	29.6862093333333	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"436931"	190.107423	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"796833"	276.144223	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1692068"	104.070623	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"341441"	95.5573495	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"731675"	138.5757495	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1488776"	52.5389495	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"400897"	195.062818	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"765170"	281.099618	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1615456"	109.026018	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"325492"	98.035047	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"713540"	141.053447	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1468457"	55.016647	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1055138"	37.0135233333333	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1264473"	119.070286	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"381956"	211.036758	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"741859"	297.073558	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1539958"	124.999958	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"298728"	106.022017	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"691553"	149.040417	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1445701"	63.003617	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"237019"	214.107426	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1218489"	128.070626	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1209138"	64.538951	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"204190"	217.04476	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"642095"	303.08156	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1145237"	131.00796	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"186340"	109.026018	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"628504"	152.044418	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1131325"	66.007618	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1411107"	44.3408373333333	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1443952"	133.049546	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"225630"	114.05904	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1518076"	147.10159	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"423229"	117.012988	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"778755"	160.031388	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1673992"	73.994588	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"258324"	236.089368	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1231030"	150.052568	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1717364"	150.076093	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1182718"	51.6681513333333	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1652612"	155.031488	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"159472"	248.99264	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"599396"	335.02944	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1087184"	162.95584	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"143275"	124.999958	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"586113"	168.018358	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1077929"	81.981558	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1110044"	164.970392	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1348619"	165.058007	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1016783"	169.097176	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1538316"	170.090808	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"997350"	85.052226	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1601693"	171.005428	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1418604"	201.036938	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1155455"	105.565501	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1700632"	218.063485	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1641753"	223.01888	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1574123"	238.99282	"C02497"	"2-Butyne-14-diol;14-Butynediol"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"812146"	130.1358	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M"	0
"986774"	111.11741	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-H2O-H"	-19.01839
"68455"	85.749924	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M-3H"	-3.021828
"511296"	129.128524	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M-3H"	-3.021828
"889098"	42.371324	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-3H"	-3.021828
"12777"	129.128524	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M-2H"	-2.014552
"446141"	194.196424	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M-2H"	-2.014552
"831235"	64.060624	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-2H"	-2.014552
"93538"	259.264324	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M-H"	-1.007276
"531882"	389.400124	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M-H"	-1.007276
"908591"	129.128524	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-H"	-1.007276
"61633"	276.290871	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M-2H+NH4"	16.019271
"502167"	406.426671	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M-2H+NH4"	16.019271
"876319"	146.155071	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-2H+NH4"	16.019271
"45313"	281.246266	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M-2H+Na"	20.974666
"480499"	411.382066	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M-2H+Na"	20.974666
"855020"	151.110466	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-2H+Na"	20.974666
"1625645"	151.110466	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Na-2H"	20.974666
"102174"	147.116863	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M-H+Cl"	33.962126
"538454"	212.184763	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M-H+Cl"	33.962126
"930875"	82.048963	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-H+Cl"	33.962126
"270891"	295.241002	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+Cl"	34.969402
"667326"	425.376802	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+Cl"	34.969402
"1278637"	165.105202	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Cl"	34.969402
"22287"	297.220206	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M-2H+K"	36.948606
"457106"	427.356006	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M-2H+K"	36.948606
"835270"	167.084406	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-2H+K"	36.948606
"1558392"	167.084406	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+K-2H"	36.948606
"946273"	175.133994	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-H+HCOOH"	44.998194
"367049"	305.269801	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+HCOOH-H"	44.998201
"348745"	319.285451	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+Hac-H"	59.013851
"1494297"	189.149651	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Hac-H"	59.013851
"958925"	197.115951	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-H+NaCOOH"	66.980151
"110751"	165.105202	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+2Cl"	69.938804
"550796"	230.173102	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+2Cl"	69.938804
"1021352"	100.037302	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2Cl"	69.938804
"1242697"	209.054685	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Br"	78.918885
"1306605"	211.110672	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Cl+HCOOH"	80.974872
"1320454"	233.092629	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Cl+NaCOOH"	102.956829
"912000"	243.121386	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M-H+CF3COOH"	112.985586
"1290773"	279.098064	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Cl+CF3COOH"	148.962264
"1370032"	95.123124	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H-2H2O"	-35.012676
"1389715"	113.1331	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H-H2O"	-17.0027
"287215"	261.278876	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+H"	1.007276
"676517"	391.414676	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+H"	1.007276
"1351974"	131.143076	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H"	1.007276
"125797"	131.143076	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+2H"	2.014552
"565674"	196.210976	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+2H"	2.014552
"1037211"	66.075176	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2H"	2.014552
"206958"	87.764476	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+3H"	3.021828
"653451"	131.143076	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+3H"	3.021828
"1177413"	44.385876	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+3H"	3.021828
"437041"	278.305423	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+NH4"	18.033823
"796943"	408.441223	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+NH4"	18.033823
"1692178"	148.169623	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+NH4"	18.033823
"339365"	139.6563495	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+H+NH4"	19.041099
"731785"	204.7242495	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+H+NH4"	19.041099
"1488886"	74.5884495	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H+NH4"	19.041099
"401007"	283.260818	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+Na"	22.989218
"765280"	413.396618	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+Na"	22.989218
"1614838"	153.125018	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Na"	22.989218
"325238"	142.134047	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+H+Na"	23.996494
"716930"	207.201947	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+H+Na"	23.996494
"1470754"	77.066147	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H+Na"	23.996494
"1057436"	51.71319	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2H+Na"	25.00377
"1264583"	163.169286	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+CH3OH+H"	33.033486
"383159"	299.234758	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+K"	38.963158
"743062"	429.370558	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+K"	38.963158
"1539957"	169.098958	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+K"	38.963158
"298671"	150.121017	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+H+K"	39.970434
"691621"	215.188917	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+H+K"	39.970434
"1445807"	85.053117	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H+K"	39.970434
"236524"	302.305426	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+ACN+H"	42.033826
"1210077"	172.169626	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+ACN+H"	42.033826
"1201389"	86.588451	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+ACN+2H"	43.041102
"203743"	305.24276	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+2Na-H"	44.97116
"641841"	435.37856	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+2Na-H"	44.97116
"1146440"	175.10696	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2Na-H"	44.97116
"182804"	153.125018	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+2Na"	45.978436
"626740"	218.192918	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+2Na"	45.978436
"1130854"	88.057118	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2Na"	45.978436
"1411217"	59.040504	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H+2Na"	46.985712
"1440416"	177.148546	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H+HCOOH"	47.012746
"224646"	158.15804	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+3H2O+2H"	56.04448
"1518186"	191.20059	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+IsoProp+H"	61.06479
"422975"	161.111988	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+Na+K"	61.952376
"777772"	226.179888	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+Na+K"	61.952376
"1675195"	96.044088	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Na+K"	61.952376
"257341"	324.287368	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+ACN+Na"	64.015768
"1230412"	194.151568	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+ACN+Na"	64.015768
"1716381"	194.175093	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+NH4+HCOOH"	64.039293
"1182464"	66.367818	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+3Na"	68.967654
"1653086"	199.130488	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Na+HCOOH"	68.994688
"160311"	337.19064	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+2K-H"	76.91904
"600964"	467.32644	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+2K-H"	76.91904
"1086202"	207.05484	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2K-H"	76.91904
"142412"	169.098958	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"2M+2K"	77.926316
"583673"	234.166858	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"3M+2K"	77.926316
"1080591"	104.031058	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2K"	77.926316
"1109790"	209.069392	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2K+H"	78.933592
"1348729"	209.157007	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+DMSO+H"	79.021207
"1017258"	213.196176	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2ACN+H"	83.060376
"1535388"	214.189808	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+IsoProp+Na+H"	84.054008
"999647"	107.101726	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+2ACN+2H"	84.067652
"1599616"	215.104428	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+K+HCOOH"	84.968628
"1421994"	245.135938	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+H+CF3COOH"	115.000138
"1154472"	127.615001	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+3ACN+2H"	125.094202
"1700742"	262.162485	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+NH4+CF3COOH"	132.026685
"1641863"	267.11788	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+Na+CF3COOH"	136.98208
"1574233"	283.09182	"C02498"	"2-Ethylhexan-1-ol;2-Ethyl-1-hexanol"	"C8H18O"	"130.1358"	"M+K+CF3COOH"	152.95602
"812260"	170.0732	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M"	0
"979230"	151.05481	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-H2O-H"	-19.01839
"77680"	112.374857333333	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M-3H"	-3.021828
"514687"	169.065924	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M-3H"	-3.021828
"893218"	55.6837906666667	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-3H"	-3.021828
"11066"	169.065924	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H"	-2.014552
"452816"	254.102524	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H"	-2.014552
"832324"	84.029324	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H"	-2.014552
"93653"	339.139124	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M-H"	-1.007276
"533948"	509.212324	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M-H"	-1.007276
"909190"	169.065924	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-H"	-1.007276
"60770"	356.165671	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+NH4"	16.019271
"500331"	526.238871	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+NH4"	16.019271
"877158"	186.092471	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+NH4"	16.019271
"45547"	361.121066	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+Na"	20.974666
"479516"	531.194266	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+Na"	20.974666
"857316"	191.047866	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+Na"	20.974666
"1627942"	191.047866	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na-2H"	20.974666
"99003"	187.054263	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M-H+Cl"	33.962126
"539658"	272.090863	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M-H+Cl"	33.962126
"935360"	102.017663	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+Cl"	33.962126
"271733"	375.115802	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Cl"	34.969402
"665612"	545.189002	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Cl"	34.969402
"1275469"	205.042602	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl"	34.969402
"21305"	377.095006	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+K"	36.948606
"460864"	547.168206	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+K"	36.948606
"837571"	207.021806	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+K"	36.948606
"1566526"	207.021806	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+K-2H"	36.948606
"945662"	215.071394	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+HCOOH"	44.998194
"364971"	385.144601	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+HCOOH-H"	44.998201
"349951"	399.160251	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Hac-H"	59.013851
"1496595"	229.087051	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Hac-H"	59.013851
"961950"	237.053351	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+NaCOOH"	66.980151
"114141"	205.042602	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Cl"	69.938804
"554795"	290.079202	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Cl"	69.938804
"1022501"	120.006002	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Cl"	69.938804
"1247547"	248.992085	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Br"	78.918885
"1308902"	251.048072	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+HCOOH"	80.974872
"1322022"	273.030029	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+NaCOOH"	102.956829
"919644"	283.058786	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+CF3COOH"	112.985586
"1290153"	319.035464	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+CF3COOH"	148.962264
"1373422"	135.060524	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H-2H2O"	-35.012676
"1389825"	153.0705	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H-H2O"	-17.0027
"287325"	341.153676	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H"	1.007276
"676830"	511.226876	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H"	1.007276
"1353177"	171.080476	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H"	1.007276
"127037"	171.080476	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2H"	2.014552
"567082"	256.117076	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2H"	2.014552
"1038067"	86.043876	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2H"	2.014552
"206705"	114.389409333333	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+3H"	3.021828
"646268"	171.080476	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+3H"	3.021828
"1178283"	57.6983426666667	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+3H"	3.021828
"438975"	358.180223	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+NH4"	18.033823
"800212"	528.253423	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+NH4"	18.033823
"1693383"	188.107023	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4"	18.033823
"345190"	179.5937495	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+NH4"	19.041099
"735176"	264.6303495	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+NH4"	19.041099
"1488997"	94.5571495	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+NH4"	19.041099
"398928"	363.135618	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Na"	22.989218
"764298"	533.208818	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Na"	22.989218
"1614219"	193.062418	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na"	22.989218
"327780"	182.071447	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+Na"	23.996494
"721052"	267.108047	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+Na"	23.996494
"1475238"	97.034847	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+Na"	23.996494
"1060827"	65.0256566666667	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2H+Na"	25.00377
"1266880"	203.106686	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+CH3OH+H"	33.033486
"384363"	379.109558	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+K"	38.963158
"745359"	549.182758	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+K"	38.963158
"1543037"	209.036358	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+K"	38.963158
"306774"	190.058417	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+K"	39.970434
"693727"	275.095017	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+K"	39.970434
"1446817"	105.021817	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+K"	39.970434
"236632"	382.180226	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+ACN+H"	42.033826
"1211168"	212.107026	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+H"	42.033826
"1195295"	106.557151	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+2H"	43.041102
"202027"	385.11756	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Na-H"	44.97116
"640857"	555.19076	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Na-H"	44.97116
"1142539"	215.04436	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Na-H"	44.97116
"180726"	193.062418	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Na"	45.978436
"625756"	278.099018	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Na"	45.978436
"1129265"	108.025818	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Na"	45.978436
"1411691"	72.3529706666667	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+2Na"	46.985712
"1443442"	217.085946	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+HCOOH"	47.012746
"231682"	198.09544	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+3H2O+2H"	56.04448
"1515381"	231.13799	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+IsoProp+H"	61.06479
"417982"	201.049388	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Na+K"	61.952376
"777881"	286.085988	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Na+K"	61.952376
"1678225"	116.012788	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+K"	61.952376
"258544"	404.162168	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+ACN+Na"	64.015768
"1230522"	234.088968	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+Na"	64.015768
"1713210"	234.112493	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4+HCOOH"	64.039293
"1180752"	79.6802846666667	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+3Na"	68.967654
"1651009"	239.067888	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+HCOOH"	68.994688
"158110"	417.06544	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2K-H"	76.91904
"598887"	587.13864	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2K-H"	76.91904
"1086676"	246.99224	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K-H"	76.91904
"143131"	209.036358	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2K"	77.926316
"583783"	294.072958	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2K"	77.926316
"1069994"	123.999758	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K"	77.926316
"1100902"	249.006792	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K+H"	78.933592
"1335703"	249.094407	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+DMSO+H"	79.021207
"1010800"	253.133576	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2ACN+H"	83.060376
"1535499"	254.127208	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+IsoProp+Na+H"	84.054008
"1003038"	127.070426	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+2ACN+2H"	84.067652
"1597540"	255.041828	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+K+HCOOH"	84.968628
"1422105"	285.073338	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+CF3COOH"	115.000138
"1156771"	147.583701	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+3ACN+2H"	125.094202
"1706322"	302.099885	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4+CF3COOH"	132.026685
"1638691"	307.05528	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+CF3COOH"	136.98208
"1572155"	323.02922	"C02499"	"2-Hydroxybiphenyl;Orthophenyl phenol;2-Biphenylol;2-Phenylphenol"	"C12H10O"	"170.0732"	"M+K+CF3COOH"	152.95602
"814557"	158.0215	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M"	0
"985901"	139.00311	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-H2O-H"	-19.01839
"77305"	104.340390666667	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M-3H"	-3.021828
"517715"	157.014224	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M-3H"	-3.021828
"892599"	51.6665573333333	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-3H"	-3.021828
"11176"	157.014224	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M-2H"	-2.014552
"453415"	236.024974	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M-2H"	-2.014552
"831586"	78.003474	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-2H"	-2.014552
"93153"	315.035724	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M-H"	-1.007276
"533692"	473.057224	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M-H"	-1.007276
"905898"	157.014224	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-H"	-1.007276
"60394"	332.062271	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M-2H+NH4"	16.019271
"501293"	490.083771	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M-2H+NH4"	16.019271
"878246"	174.040771	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-2H+NH4"	16.019271
"43955"	337.017666	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M-2H+Na"	20.974666
"477440"	495.039166	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M-2H+Na"	20.974666
"858520"	178.996166	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-2H+Na"	20.974666
"1631333"	178.996166	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Na-2H"	20.974666
"103488"	175.002563	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M-H+Cl"	33.962126
"541955"	254.013313	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M-H+Cl"	33.962126
"935471"	95.991813	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-H+Cl"	33.962126
"274028"	351.012402	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+Cl"	34.969402
"663176"	509.033902	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+Cl"	34.969402
"1276673"	192.990902	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Cl"	34.969402
"23602"	352.991606	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M-2H+K"	36.948606
"464255"	511.013106	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M-2H+K"	36.948606
"836588"	194.970106	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-2H+K"	36.948606
"1563356"	194.970106	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+K-2H"	36.948606
"950147"	203.019694	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-H+HCOOH"	44.998194
"368363"	361.041201	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+HCOOH-H"	44.998201
"348968"	375.056851	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+Hac-H"	59.013851
"1498892"	217.035351	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Hac-H"	59.013851
"962062"	225.001651	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-H+NaCOOH"	66.980151
"111092"	192.990902	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+2Cl"	69.938804
"554905"	272.001652	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+2Cl"	69.938804
"1022611"	113.980152	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2Cl"	69.938804
"1247657"	236.940385	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Br"	78.918885
"1309012"	238.996372	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Cl+HCOOH"	80.974872
"1322132"	260.978329	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Cl+NaCOOH"	102.956829
"919754"	271.007086	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M-H+CF3COOH"	112.985586
"1291357"	306.983764	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Cl+CF3COOH"	148.962264
"1373532"	123.008824	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H-2H2O"	-35.012676
"1389935"	141.0188	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H-H2O"	-17.0027
"287435"	317.050276	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+H"	1.007276
"677304"	475.071776	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+H"	1.007276
"1354744"	159.028776	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H"	1.007276
"127997"	159.028776	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+2H"	2.014552
"568286"	238.039526	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+2H"	2.014552
"1037448"	80.018026	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2H"	2.014552
"206810"	106.354942666667	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+3H"	3.021828
"648199"	159.028776	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+3H"	3.021828
"1172890"	53.6811093333333	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+3H"	3.021828
"437989"	334.076823	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+NH4"	18.033823
"798256"	492.098323	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+NH4"	18.033823
"1691306"	176.055323	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+NH4"	18.033823
"341771"	167.5420495	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+H+NH4"	19.041099
"733099"	246.5527995	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+H+NH4"	19.041099
"1489106"	88.5312995	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H+NH4"	19.041099
"400131"	339.032218	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+Na"	22.989218
"764406"	497.053718	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+Na"	22.989218
"1612507"	181.010718	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Na"	22.989218
"328011"	170.019747	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+H+Na"	23.996494
"721526"	249.030497	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+H+Na"	23.996494
"1469878"	91.008997	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H+Na"	23.996494
"1058751"	61.0084233333333	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2H+Na"	25.00377
"1266991"	191.054986	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+CH3OH+H"	33.033486
"383380"	355.006158	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+K"	38.963158
"745469"	513.027658	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+K"	38.963158
"1543148"	196.984658	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+K"	38.963158
"307978"	178.006717	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+H+K"	39.970434
"694931"	257.017467	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+H+K"	39.970434
"1448386"	98.995967	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H+K"	39.970434
"236989"	358.076826	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+ACN+H"	42.033826
"1212253"	200.055326	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+ACN+H"	42.033826
"1197957"	100.531301	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+ACN+2H"	43.041102
"201649"	361.01416	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+2Na-H"	44.97116
"639508"	519.03566	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+2Na-H"	44.97116
"1139733"	202.99266	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2Na-H"	44.97116
"185210"	181.010718	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+2Na"	45.978436
"625868"	260.021468	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+2Na"	45.978436
"1128647"	101.999968	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2Na"	45.978436
"1412532"	68.3357373333333	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H+2Na"	46.985712
"1443920"	205.034246	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H+HCOOH"	47.012746
"233252"	186.04374	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+3H2O+2H"	56.04448
"1518406"	219.08629	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+IsoProp+H"	61.06479
"418457"	188.997688	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+Na+K"	61.952376
"780909"	268.008438	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+Na+K"	61.952376
"1678336"	109.986938	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Na+K"	61.952376
"257925"	380.058768	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+ACN+Na"	64.015768
"1230632"	222.037268	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+ACN+Na"	64.015768
"1715142"	222.060793	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+NH4+HCOOH"	64.039293
"1180862"	75.6630513333333	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+3Na"	68.967654
"1651482"	227.016188	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Na+HCOOH"	68.994688
"159074"	392.96204	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+2K-H"	76.91904
"599728"	550.98354	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+2K-H"	76.91904
"1087517"	234.94054	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2K-H"	76.91904
"142999"	196.984658	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"2M+2K"	77.926316
"582438"	275.995408	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"3M+2K"	77.926316
"1070595"	117.973908	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2K"	77.926316
"1100523"	236.955092	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2K+H"	78.933592
"1335976"	237.042707	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+DMSO+H"	79.021207
"1007748"	241.081876	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2ACN+H"	83.060376
"1539378"	242.075508	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+IsoProp+Na+H"	84.054008
"1004973"	121.044576	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+2ACN+2H"	84.067652
"1599838"	242.990128	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+K+HCOOH"	84.968628
"1425131"	273.021638	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+H+CF3COOH"	115.000138
"1157974"	141.557851	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+3ACN+2H"	125.094202
"1708619"	290.048185	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+NH4+CF3COOH"	132.026685
"1637708"	295.00358	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+Na+CF3COOH"	136.98208
"1575546"	310.97752	"C02501"	"2-Hydroxymuconate"	"C6H6O5"	"158.0215"	"M+K+CF3COOH"	152.95602
"816830"	95.0371	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M"	0
"989913"	76.01871	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-H2O-H"	-19.01839
"77543"	62.3507906666667	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M-3H"	-3.021828
"517468"	94.029824	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M-3H"	-3.021828
"893811"	30.6717573333333	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-3H"	-3.021828
"13116"	94.029824	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M-2H"	-2.014552
"454136"	141.548374	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M-2H"	-2.014552
"828655"	46.511274	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-2H"	-2.014552
"93754"	189.066924	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M-H"	-1.007276
"533552"	284.104024	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M-H"	-1.007276
"910520"	94.029824	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-H"	-1.007276
"61858"	206.093471	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M-2H+NH4"	16.019271
"502022"	301.130571	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M-2H+NH4"	16.019271
"879167"	111.056371	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-2H+NH4"	16.019271
"43458"	211.048866	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M-2H+Na"	20.974666
"475727"	306.085966	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M-2H+Na"	20.974666
"854258"	116.011766	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-2H+Na"	20.974666
"1623790"	116.011766	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Na-2H"	20.974666
"98132"	112.018163	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M-H+Cl"	33.962126
"543162"	159.536713	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M-H+Cl"	33.962126
"931574"	64.499613	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-H+Cl"	33.962126
"274143"	225.043602	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+Cl"	34.969402
"662193"	320.080702	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+Cl"	34.969402
"1274231"	130.006502	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Cl"	34.969402
"20433"	227.022806	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M-2H+K"	36.948606
"461088"	322.059906	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M-2H+K"	36.948606
"835608"	131.985706	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-2H+K"	36.948606
"1560190"	131.985706	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+K-2H"	36.948606
"954274"	140.035294	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-H+HCOOH"	44.998194
"365198"	235.072401	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+HCOOH-H"	44.998201
"353457"	249.088051	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+Hac-H"	59.013851
"1501196"	154.050951	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Hac-H"	59.013851
"966551"	162.017251	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-H+NaCOOH"	66.980151
"113271"	130.006502	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+2Cl"	69.938804
"556112"	177.525052	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+2Cl"	69.938804
"1030378"	82.487952	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2Cl"	69.938804
"1252145"	173.955985	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Br"	78.918885
"1314595"	176.011972	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Cl+HCOOH"	80.974872
"1332090"	197.993929	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Cl+NaCOOH"	102.956829
"925337"	208.022686	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M-H+CF3COOH"	112.985586
"1301684"	243.999364	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Cl+CF3COOH"	148.962264
"1380573"	60.024424	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H-2H2O"	-35.012676
"1396609"	78.0344	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H-H2O"	-17.0027
"294107"	191.081476	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+H"	1.007276
"681060"	286.118576	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+H"	1.007276
"1360690"	96.044376	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H"	1.007276
"128475"	96.044376	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+2H"	2.014552
"567305"	143.562926	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+2H"	2.014552
"1038655"	48.525826	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2H"	2.014552
"212034"	64.3653426666667	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+3H"	3.021828
"651596"	96.044376	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+3H"	3.021828
"1170813"	32.6863093333333	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+3H"	3.021828
"439640"	208.108023	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+NH4"	18.033823
"801352"	303.145123	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+NH4"	18.033823
"1695426"	113.070923	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+NH4"	18.033823
"345605"	104.5576495	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+H+NH4"	19.041099
"738076"	152.0761995	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+H+NH4"	19.041099
"1489217"	57.0390995	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H+NH4"	19.041099
"400242"	213.063418	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+Na"	22.989218
"763424"	308.100518	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+Na"	22.989218
"1613710"	118.026318	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Na"	22.989218
"324841"	107.035347	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+H+Na"	23.996494
"711795"	154.553897	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+H+Na"	23.996494
"1473272"	59.516797	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H+Na"	23.996494
"1065060"	40.0136233333333	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2H+Na"	25.00377
"1271115"	128.070586	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+CH3OH+H"	33.033486
"386773"	229.037358	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+K"	38.963158
"745581"	324.074458	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+K"	38.963158
"1544352"	134.000258	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+K"	38.963158
"301161"	115.022317	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+H+K"	39.970434
"693582"	162.540867	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+H+K"	39.970434
"1447772"	67.503767	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H+K"	39.970434
"242937"	232.108026	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+ACN+H"	42.033826
"1221846"	137.070926	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+ACN+H"	42.033826
"1209632"	69.039101	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+ACN+2H"	43.041102
"203464"	235.04536	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+2Na-H"	44.97116
"641443"	330.08246	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+2Na-H"	44.97116
"1146851"	140.00826	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2Na-H"	44.97116
"187153"	118.026318	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+2Na"	45.978436
"627562"	165.544868	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+2Na"	45.978436
"1129858"	70.507768	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2Na"	45.978436
"1413378"	47.3409373333333	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H+2Na"	46.985712
"1443303"	142.049846	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H+HCOOH"	47.012746
"232266"	123.05934	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+3H2O+2H"	56.04448
"1523500"	156.10189	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+IsoProp+H"	61.06479
"422943"	126.013288	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+Na+K"	61.952376
"783573"	173.531838	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+Na+K"	61.952376
"1678446"	78.494738	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Na+K"	61.952376
"262776"	254.089968	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+ACN+Na"	64.015768
"1238401"	159.052868	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+ACN+Na"	64.015768
"1725100"	159.076393	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+NH4+HCOOH"	64.039293
"1187536"	54.6682513333333	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+3Na"	68.967654
"1655605"	164.031788	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Na+HCOOH"	68.994688
"161373"	266.99324	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+2K-H"	76.91904
"600934"	362.03034	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+2K-H"	76.91904
"1094193"	171.95614	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2K-H"	76.91904
"152837"	134.000258	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"2M+2K"	77.926316
"586197"	181.518808	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"3M+2K"	77.926316
"1076179"	86.481708	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2K"	77.926316
"1103924"	173.970692	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2K+H"	78.933592
"1340307"	174.058307	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+DMSO+H"	79.021207
"1017954"	178.097476	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2ACN+H"	83.060376
"1533532"	179.091108	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+IsoProp+Na+H"	84.054008
"999980"	89.552376	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+2ACN+2H"	84.067652
"1595576"	180.005728	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+K+HCOOH"	84.968628
"1425605"	210.037238	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+H+CF3COOH"	115.000138
"1151525"	110.065651	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+3ACN+2H"	125.094202
"1708729"	227.063785	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+NH4+CF3COOH"	132.026685
"1641101"	232.01918	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+Na+CF3COOH"	136.98208
"1573471"	247.99312	"C02502"	"2-Hydroxypyridine;2-Pyridone;2-Pyridinol"	"C5H5NO"	"95.0371"	"M+K+CF3COOH"	152.95602
"803109"	176.0685	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M"	0
"986122"	157.05011	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-H2O-H"	-19.01839
"75095"	116.371724	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M-3H"	-3.021828
"515020"	175.061224	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M-3H"	-3.021828
"892823"	57.682224	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-3H"	-3.021828
"10307"	175.061224	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M-2H"	-2.014552
"455336"	263.095474	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M-2H"	-2.014552
"832043"	87.026974	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-2H"	-2.014552
"88753"	351.129724	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M-H"	-1.007276
"533662"	527.198224	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M-H"	-1.007276
"910492"	175.061224	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-H"	-1.007276
"61220"	368.156271	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M-2H+NH4"	16.019271
"500050"	544.224771	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M-2H+NH4"	16.019271
"879683"	192.087771	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-2H+NH4"	16.019271
"41381"	373.111666	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M-2H+Na"	20.974666
"475473"	549.180166	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M-2H+Na"	20.974666
"852179"	197.043166	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-2H+Na"	20.974666
"1623170"	197.043166	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Na-2H"	20.974666
"98969"	193.049563	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M-H+Cl"	33.962126
"543272"	281.083813	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M-H+Cl"	33.962126
"928768"	105.015313	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-H+Cl"	33.962126
"269879"	387.106402	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+Cl"	34.969402
"661931"	563.174902	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+Cl"	34.969402
"1276892"	211.037902	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Cl"	34.969402
"16897"	389.085606	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M-2H+K"	36.948606
"456335"	565.154106	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M-2H+K"	36.948606
"835718"	213.017106	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-2H+K"	36.948606
"1561392"	213.017106	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+K-2H"	36.948606
"951467"	221.066694	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-H+HCOOH"	44.998194
"366401"	397.135201	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+HCOOH-H"	44.998201
"353567"	411.150851	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+Hac-H"	59.013851
"1502399"	235.082351	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Hac-H"	59.013851
"966661"	243.048651	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-H+NaCOOH"	66.980151
"114474"	211.037902	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+2Cl"	69.938804
"554035"	299.072152	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+2Cl"	69.938804
"1030488"	123.003652	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2Cl"	69.938804
"1251162"	254.987385	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Br"	78.918885
"1312518"	257.043372	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Cl+HCOOH"	80.974872
"1331107"	279.025329	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Cl+NaCOOH"	102.956829
"925447"	289.054086	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M-H+CF3COOH"	112.985586
"1302156"	325.030764	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Cl+CF3COOH"	148.962264
"1380318"	141.055824	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H-2H2O"	-35.012676
"1397450"	159.0658	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H-H2O"	-17.0027
"296404"	353.144276	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+H"	1.007276
"681171"	529.212776	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+H"	1.007276
"1360800"	177.075776	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H"	1.007276
"129679"	177.075776	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+2H"	2.014552
"568509"	265.110026	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+2H"	2.014552
"1040952"	89.041526	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2H"	2.014552
"213238"	118.386276	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+3H"	3.021828
"652797"	177.075776	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+3H"	3.021828
"1168736"	59.696776	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+3H"	3.021828
"436388"	370.170823	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+NH4"	18.033823
"801262"	546.239323	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+NH4"	18.033823
"1694808"	194.102323	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+NH4"	18.033823
"344185"	185.5890495	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+H+NH4"	19.041099
"737699"	273.6232995	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+H+NH4"	19.041099
"1490422"	97.5547995	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H+NH4"	19.041099
"406915"	375.126218	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+Na"	22.989218
"767545"	551.194718	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+Na"	22.989218
"1618157"	199.057718	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Na"	22.989218
"324951"	188.066747	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+H+Na"	23.996494
"722116"	276.100997	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+H+Na"	23.996494
"1476872"	100.032497	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H+Na"	23.996494
"1068049"	67.02409	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2H+Na"	25.00377
"1271589"	209.101986	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+CH3OH+H"	33.033486
"389436"	391.100158	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+K"	38.963158
"747880"	567.168658	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+K"	38.963158
"1542276"	215.031658	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+K"	38.963158
"303828"	196.053717	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+H+K"	39.970434
"695156"	284.087967	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+H+K"	39.970434
"1456632"	108.019467	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H+K"	39.970434
"244144"	394.170826	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+ACN+H"	42.033826
"1225459"	218.102326	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+ACN+H"	42.033826
"1209705"	109.554801	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+ACN+2H"	43.041102
"204242"	397.10816	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+2Na-H"	44.97116
"644199"	573.17666	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+2Na-H"	44.97116
"1146411"	221.03966	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2Na-H"	44.97116
"187875"	199.057718	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+2Na"	45.978436
"627430"	287.091968	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+2Na"	45.978436
"1129238"	111.023468	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2Na"	45.978436
"1412396"	74.351404	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H+2Na"	46.985712
"1445197"	223.081246	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H+HCOOH"	47.012746
"233470"	204.09074	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+3H2O+2H"	56.04448
"1520815"	237.13329	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+IsoProp+H"	61.06479
"418314"	207.044688	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+Na+K"	61.952376
"783323"	295.078938	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+Na+K"	61.952376
"1677094"	119.010438	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Na+K"	61.952376
"262522"	416.152768	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+ACN+Na"	64.015768
"1236688"	240.084268	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+ACN+Na"	64.015768
"1718282"	240.107793	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+NH4+HCOOH"	64.039293
"1181445"	81.678718	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+3Na"	68.967654
"1653526"	245.063188	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Na+HCOOH"	68.994688
"160390"	429.05604	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+2K-H"	76.91904
"601043"	605.12454	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+2K-H"	76.91904
"1091023"	252.98754	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2K-H"	76.91904
"147839"	215.031658	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"2M+2K"	77.926316
"586307"	303.065908	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"3M+2K"	77.926316
"1074100"	126.997408	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2K"	77.926316
"1106217"	255.002092	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2K+H"	78.933592
"1343695"	255.089707	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+DMSO+H"	79.021207
"1019157"	259.128876	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2ACN+H"	83.060376
"1534731"	260.122508	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+IsoProp+Na+H"	84.054008
"1000089"	130.068076	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+2ACN+2H"	84.067652
"1598965"	261.037128	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+K+HCOOH"	84.968628
"1424622"	291.068638	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+H+CF3COOH"	115.000138
"1152728"	150.581351	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+3ACN+2H"	125.094202
"1706652"	308.095185	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+NH4+CF3COOH"	132.026685
"1641211"	313.05058	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+Na+CF3COOH"	136.98208
"1573581"	329.02452	"C02504"	"alpha-Isopropylmalate;(2S)-2-Isopropylmalate;(2S)-2-Hydroxy-2-isopropylsuccinic acid;2-Isopropylmalic acid;3-Carboxy-3-hydroxy-4-methylpentanoate;3-Carboxy-3-hydroxyisocaproate"	"C7H12O5"	"176.0685"	"M+K+CF3COOH"	152.95602
"809415"	135.0684	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M"	0
"987324"	116.05001	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-H2O-H"	-19.01839
"76907"	89.038324	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M-3H"	-3.021828
"517325"	134.061124	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M-3H"	-3.021828
"894759"	44.015524	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-3H"	-3.021828
"12972"	134.061124	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M-2H"	-2.014552
"454355"	201.595324	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M-2H"	-2.014552
"829966"	66.526924	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-2H"	-2.014552
"93482"	269.129524	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M-H"	-1.007276
"533169"	404.197924	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M-H"	-1.007276
"910240"	134.061124	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-H"	-1.007276
"62780"	286.156071	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M-2H+NH4"	16.019271
"501990"	421.224471	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M-2H+NH4"	16.019271
"879062"	151.087671	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-2H+NH4"	16.019271
"40398"	291.111466	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M-2H+Na"	20.974666
"478863"	426.179866	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M-2H+Na"	20.974666
"853383"	156.043066	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-2H+Na"	20.974666
"1627291"	156.043066	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Na-2H"	20.974666
"98354"	152.049463	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M-H+Cl"	33.962126
"540102"	219.583663	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M-H+Cl"	33.962126
"931430"	84.515263	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-H+Cl"	33.962126
"276550"	305.106202	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+Cl"	34.969402
"660950"	440.174602	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+Cl"	34.969402
"1273964"	170.037802	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Cl"	34.969402
"16436"	307.085406	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M-2H+K"	36.948606
"459120"	442.153806	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M-2H+K"	36.948606
"834735"	172.017006	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-2H+K"	36.948606
"1558586"	172.017006	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+K-2H"	36.948606
"952671"	180.066594	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-H+HCOOH"	44.998194
"371978"	315.135001	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+HCOOH-H"	44.998201
"356230"	329.150651	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+Hac-H"	59.013851
"1505791"	194.082251	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Hac-H"	59.013851
"971510"	202.048551	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-H+NaCOOH"	66.980151
"121145"	170.037802	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+2Cl"	69.938804
"558518"	237.572002	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+2Cl"	69.938804
"1033878"	102.503602	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2Cl"	69.938804
"1254552"	213.987285	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Br"	78.918885
"1315908"	216.043272	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Cl+HCOOH"	80.974872
"1331218"	238.025229	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Cl+NaCOOH"	102.956829
"923369"	248.053986	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M-H+CF3COOH"	112.985586
"1303357"	284.030664	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Cl+CF3COOH"	148.962264
"1378238"	100.055724	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H-2H2O"	-35.012676
"1390267"	118.0657	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H-H2O"	-17.0027
"293234"	271.144076	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+H"	1.007276
"681281"	406.212476	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+H"	1.007276
"1357630"	136.075676	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H"	1.007276
"130154"	136.075676	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+2H"	2.014552
"566797"	203.609876	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+2H"	2.014552
"1039967"	68.541476	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2H"	2.014552
"212256"	91.052876	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+3H"	3.021828
"652907"	136.075676	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+3H"	3.021828
"1171033"	46.030076	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+3H"	3.021828
"436498"	288.170623	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+NH4"	18.033823
"801266"	423.239023	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+NH4"	18.033823
"1694918"	153.102223	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+NH4"	18.033823
"344174"	144.5889495	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+H+NH4"	19.041099
"737445"	212.1231495	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+H+NH4"	19.041099
"1491262"	77.0547495	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H+NH4"	19.041099
"407025"	293.126018	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+Na"	22.989218
"765833"	428.194418	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+Na"	22.989218
"1616728"	158.057618	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Na"	22.989218
"325426"	147.066647	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+H+Na"	23.996494
"718577"	214.600847	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+H+Na"	23.996494
"1476046"	79.532447	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H+Na"	23.996494
"1064188"	53.35739	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2H+Na"	25.00377
"1272065"	168.101886	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+CH3OH+H"	33.033486
"385899"	309.099958	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+K"	38.963158
"744709"	444.168358	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+K"	38.963158
"1543481"	174.031558	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+K"	38.963158
"301749"	155.053617	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+H+K"	39.970434
"697449"	222.587817	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+H+K"	39.970434
"1456742"	87.519417	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H+K"	39.970434
"248263"	312.170626	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+ACN+H"	42.033826
"1218052"	177.102226	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+ACN+H"	42.033826
"1207407"	89.054751	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+ACN+2H"	43.041102
"203196"	315.10796	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+2Na-H"	44.97116
"643371"	450.17636	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+2Na-H"	44.97116
"1146271"	180.03956	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2Na-H"	44.97116
"187615"	158.057618	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+2Na"	45.978436
"626814"	225.591818	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+2Na"	45.978436
"1129346"	90.523418	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2Na"	45.978436
"1413233"	60.684704	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H+2Na"	46.985712
"1443161"	182.081146	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H+HCOOH"	47.012746
"233588"	163.09064	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+3H2O+2H"	56.04448
"1520188"	196.13319	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+IsoProp+H"	61.06479
"420600"	166.044588	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+Na+K"	61.952376
"782336"	233.578788	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+Na+K"	61.952376
"1676111"	98.510388	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Na+K"	61.952376
"260808"	334.152568	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+ACN+Na"	64.015768
"1229139"	199.084168	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+ACN+Na"	64.015768
"1716565"	199.107693	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+NH4+HCOOH"	64.039293
"1181189"	68.012018	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+3Na"	68.967654
"1653270"	204.063088	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Na+HCOOH"	68.994688
"158309"	347.05584	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+2K-H"	76.91904
"601153"	482.12424	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+2K-H"	76.91904
"1087853"	211.98744	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2K-H"	76.91904
"142482"	174.031558	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"2M+2K"	77.926316
"586417"	241.565758	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"3M+2K"	77.926316
"1074210"	106.497358	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2K"	77.926316
"1106327"	214.001992	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2K+H"	78.933592
"1343805"	214.089607	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+DMSO+H"	79.021207
"1019998"	218.128776	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2ACN+H"	83.060376
"1537029"	219.122408	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+IsoProp+Na+H"	84.054008
"1001293"	109.568026	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+2ACN+2H"	84.067652
"1600897"	220.037028	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+K+HCOOH"	84.968628
"1425825"	250.068538	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+H+CF3COOH"	115.000138
"1159398"	130.081301	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+3ACN+2H"	125.094202
"1706762"	267.095085	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+NH4+CF3COOH"	132.026685
"1641321"	272.05048	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+Na+CF3COOH"	136.98208
"1573691"	288.02442	"C02505"	"2-Phenylacetamide;alpha-Phenylacetamide"	"C8H9NO"	"135.0684"	"M+K+CF3COOH"	152.95602
"811717"	329.0525	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M"	0
"986344"	310.03411	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-H2O-H"	-19.01839
"72397"	218.361057333333	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M-3H"	-3.021828
"518158"	328.045224	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M-3H"	-3.021828
"893045"	108.676890666667	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-3H"	-3.021828
"11622"	328.045224	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M-2H"	-2.014552
"453008"	492.571474	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M-2H"	-2.014552
"830686"	163.518974	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-2H"	-2.014552
"92623"	657.097724	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M-H"	-1.007276
"533035"	986.150224	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M-H"	-1.007276
"910351"	328.045224	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-H"	-1.007276
"62665"	674.124271	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+NH4"	16.019271
"501855"	1003.176771	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+NH4"	16.019271
"877468"	345.071771	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-2H+NH4"	16.019271
"41601"	679.079666	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+Na"	20.974666
"478974"	1008.132166	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+Na"	20.974666
"854588"	350.027166	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-2H+Na"	20.974666
"1624123"	350.027166	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Na-2H"	20.974666
"107579"	346.033563	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M-H+Cl"	33.962126
"538026"	510.559813	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M-H+Cl"	33.962126
"934824"	181.507313	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-H+Cl"	33.962126
"269006"	693.074402	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+Cl"	34.969402
"663615"	1022.126902	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+Cl"	34.969402
"1273826"	364.021902	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Cl"	34.969402
"17484"	695.053606	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M-2H+K"	36.948606
"458139"	1024.106106	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M-2H+K"	36.948606
"832974"	366.001106	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-2H+K"	36.948606
"1567086"	366.001106	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+K-2H"	36.948606
"954969"	374.050694	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-H+HCOOH"	44.998194
"371000"	703.103201	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+HCOOH-H"	44.998201
"359257"	717.118851	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+Hac-H"	59.013851
"1501528"	388.066351	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Hac-H"	59.013851
"969798"	396.032651	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-H+NaCOOH"	66.980151
"123810"	364.021902	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+2Cl"	69.938804
"564343"	528.548152	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+2Cl"	69.938804
"1035695"	199.495652	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2Cl"	69.938804
"1256124"	407.971385	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Br"	78.918885
"1316018"	410.027372	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+HCOOH"	80.974872
"1330234"	432.009329	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+NaCOOH"	102.956829
"921292"	442.038086	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M-H+CF3COOH"	112.985586
"1300187"	478.014764	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Cl+CF3COOH"	148.962264
"1377252"	294.039824	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H-2H2O"	-35.012676
"1386004"	312.0498	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H-H2O"	-17.0027
"287875"	659.112276	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+H"	1.007276
"681392"	988.164776	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+H"	1.007276
"1357740"	330.059776	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H"	1.007276
"128441"	330.059776	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+2H"	2.014552
"569825"	494.586026	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+2H"	2.014552
"1042275"	165.533526	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2H"	2.014552
"217467"	220.375609333333	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+3H"	3.021828
"653017"	330.059776	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+3H"	3.021828
"1174424"	110.691442666667	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+3H"	3.021828
"438190"	676.138823	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+NH4"	18.033823
"800646"	1005.191323	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+NH4"	18.033823
"1692840"	347.086323	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+NH4"	18.033823
"342945"	338.5730495	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+H+NH4"	19.041099
"736705"	503.0992995	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+H+NH4"	19.041099
"1490275"	174.0467995	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H+NH4"	19.041099
"403853"	681.094218	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+Na"	22.989218
"763754"	1010.146718	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+Na"	22.989218
"1611853"	352.041718	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Na"	22.989218
"325169"	341.050747	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+H+Na"	23.996494
"719054"	505.576997	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+H+Na"	23.996494
"1474700"	176.524497	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H+Na"	23.996494
"1066732"	118.018756666667	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2H+Na"	25.00377
"1267436"	362.085986	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+CH3OH+H"	33.033486
"386009"	697.068158	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+K"	38.963158
"744819"	1026.120658	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+K"	38.963158
"1543591"	368.015658	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+K"	38.963158
"304046"	349.037717	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+H+K"	39.970434
"694279"	513.563967	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+H+K"	39.970434
"1451384"	184.511467	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H+K"	39.970434
"248375"	700.138826	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+ACN+H"	42.033826
"1219258"	371.086326	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+H"	42.033826
"1207152"	186.046801	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+2H"	43.041102
"201845"	703.07616	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+2Na-H"	44.97116
"643358"	1032.12866	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+2Na-H"	44.97116
"1146502"	374.02366	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2Na-H"	44.97116
"186992"	352.041718	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+2Na"	45.978436
"625212"	516.567968	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+2Na"	45.978436
"1129816"	187.515468	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2Na"	45.978436
"1412855"	125.346070666667	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H+2Na"	46.985712
"1444607"	376.065246	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H+HCOOH"	47.012746
"233332"	357.07474	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+3H2O+2H"	56.04448
"1518839"	390.11729	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+IsoProp+H"	61.06479
"419624"	360.028688	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+Na+K"	61.952376
"779524"	524.554938	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+Na+K"	61.952376
"1669293"	195.502438	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Na+K"	61.952376
"255446"	722.120768	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+ACN+Na"	64.015768
"1227787"	393.068268	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+ACN+Na"	64.015768
"1719595"	393.091793	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+NH4+HCOOH"	64.039293
"1186043"	132.673384666667	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+3Na"	68.967654
"1653745"	398.047188	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Na+HCOOH"	68.994688
"159146"	735.02404	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+2K-H"	76.91904
"601263"	1064.07654	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+2K-H"	76.91904
"1085774"	405.97154	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2K-H"	76.91904
"148061"	368.015658	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"2M+2K"	77.926316
"593091"	532.541908	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"3M+2K"	77.926316
"1079792"	203.489408	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2K"	77.926316
"1110813"	407.986092	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2K+H"	78.933592
"1350856"	408.073707	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+DMSO+H"	79.021207
"1019015"	412.112876	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2ACN+H"	83.060376
"1537142"	413.106508	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+IsoProp+Na+H"	84.054008
"1004682"	206.560076	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+2ACN+2H"	84.067652
"1595903"	414.021128	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+K+HCOOH"	84.968628
"1419382"	444.052638	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+H+CF3COOH"	115.000138
"1152949"	227.073351	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+3ACN+2H"	125.094202
"1706874"	461.079185	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+NH4+CF3COOH"	132.026685
"1641431"	466.03458	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+Na+CF3COOH"	136.98208
"1573801"	482.00852	"C02507"	"35-Cyclic dGMP"	"C10H12N5O6P"	"329.0525"	"M+K+CF3COOH"	152.95602
"814015"	515.0455	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M"	0
"986090"	496.02711	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-H2O-H"	-19.01839
"75787"	342.356390666667	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M-3H"	-3.021828
"517540"	514.038224	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M-3H"	-3.021828
"892062"	170.674557333333	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-3H"	-3.021828
"10638"	514.038224	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M-2H"	-2.014552
"450199"	771.560974	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M-2H"	-2.014552
"829094"	256.515474	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-2H"	-2.014552
"90178"	1029.083724	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M-H"	-1.007276
"530834"	1544.129224	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M-H"	-1.007276
"907541"	514.038224	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-H"	-1.007276
"61672"	1046.110271	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M-2H+NH4"	16.019271
"499285"	1561.155771	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M-2H+NH4"	16.019271
"876365"	531.064771	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-2H+NH4"	16.019271
"43170"	1051.065666	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M-2H+Na"	20.974666
"476898"	1566.111166	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M-2H+Na"	20.974666
"856884"	536.020166	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-2H+Na"	20.974666
"1625324"	536.020166	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Na-2H"	20.974666
"100030"	532.026563	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M-H+Cl"	33.962126
"537405"	789.549313	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M-H+Cl"	33.962126
"929462"	274.503813	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-H+Cl"	33.962126
"269119"	1065.060402	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+Cl"	34.969402
"667009"	1580.105902	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+Cl"	34.969402
"1273128"	550.014902	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Cl"	34.969402
"17594"	1067.039606	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M-2H+K"	36.948606
"461529"	1582.085106	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M-2H+K"	36.948606
"842613"	551.994106	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-2H+K"	36.948606
"1567196"	551.994106	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+K-2H"	36.948606
"949613"	560.043694	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-H+HCOOH"	44.998194
"370746"	1075.089201	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+HCOOH-H"	44.998201
"358640"	1089.104851	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+Hac-H"	59.013851
"1501638"	574.059351	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Hac-H"	59.013851
"969909"	582.025651	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-H+NaCOOH"	66.980151
"123191"	550.014902	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+2Cl"	69.938804
"562023"	807.537652	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+2Cl"	69.938804
"1036292"	292.492152	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2Cl"	69.938804
"1256683"	593.964385	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Br"	78.918885
"1315035"	596.020372	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Cl+HCOOH"	80.974872
"1331441"	618.002329	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Cl+NaCOOH"	102.956829
"924321"	628.031086	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M-H+CF3COOH"	112.985586
"1302484"	664.007764	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Cl+CF3COOH"	148.962264
"1382106"	480.032824	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H-2H2O"	-35.012676
"1388301"	498.0428	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H-H2O"	-17.0027
"289082"	1031.098276	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+H"	1.007276
"682596"	1546.143776	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+H"	1.007276
"1354573"	516.052776	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H"	1.007276
"129651"	516.052776	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+2H"	2.014552
"573585"	773.575526	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+2H"	2.014552
"1042387"	258.530026	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2H"	2.014552
"213567"	344.370942666667	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+3H"	3.021828
"657507"	516.052776	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+3H"	3.021828
"1177458"	172.689109333333	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+3H"	3.021828
"437812"	1048.124823	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+NH4"	18.033823
"799535"	1563.170323	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+NH4"	18.033823
"1695506"	533.079323	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+NH4"	18.033823
"343421"	524.5660495	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+H+NH4"	19.041099
"735109"	782.0887995	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+H+NH4"	19.041099
"1489658"	267.0432995	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H+NH4"	19.041099
"406151"	1053.080218	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+Na"	22.989218
"763864"	1568.125718	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+Na"	22.989218
"1611962"	538.034718	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Na"	22.989218
"328814"	527.043747	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+H+Na"	23.996494
"720875"	784.566497	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+H+Na"	23.996494
"1475548"	269.520997	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H+Na"	23.996494
"1060401"	180.016423333333	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2H+Na"	25.00377
"1268640"	548.078986	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+CH3OH+H"	33.033486
"387214"	1069.054158	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+K"	38.963158
"748208"	1584.099658	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+K"	38.963158
"1548073"	554.008658	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+K"	38.963158
"303063"	535.030717	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+H+K"	39.970434
"695485"	792.553467	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+H+K"	39.970434
"1448212"	277.507967	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H+K"	39.970434
"241189"	1072.124826	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+ACN+H"	42.033826
"1218274"	557.079326	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+ACN+H"	42.033826
"1207265"	279.043301	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+ACN+2H"	43.041102
"201834"	1075.06216	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+2Na-H"	44.97116
"643469"	1590.10766	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+2Na-H"	44.97116
"1144782"	560.01666	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2Na-H"	44.97116
"187349"	538.034718	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+2Na"	45.978436
"626905"	795.557468	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+2Na"	45.978436
"1128831"	280.511968	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2Na"	45.978436
"1412601"	187.343737333333	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H+2Na"	46.985712
"1442662"	562.058246	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H+HCOOH"	47.012746
"233807"	543.06774	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+3H2O+2H"	56.04448
"1520048"	576.11029	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+IsoProp+H"	61.06479
"420099"	546.021688	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+Na+K"	61.952376
"782552"	803.544438	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+Na+K"	61.952376
"1676331"	288.498938	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Na+K"	61.952376
"255923"	1094.106768	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+ACN+Na"	64.015768
"1229357"	579.061268	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+ACN+Na"	64.015768
"1717148"	579.084793	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+NH4+HCOOH"	64.039293
"1187247"	194.671051333333	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+3Na"	68.967654
"1654951"	584.040188	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Na+HCOOH"	68.994688
"160720"	1107.01004	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+2K-H"	76.91904
"597195"	1622.05554	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+2K-H"	76.91904
"1089168"	591.96454	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2K-H"	76.91904
"143797"	554.008658	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"2M+2K"	77.926316
"585547"	811.531408	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"3M+2K"	77.926316
"1083914"	296.485908	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2K"	77.926316
"1115311"	593.979092	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2K+H"	78.933592
"1351127"	594.066707	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+DMSO+H"	79.021207
"1020708"	598.105876	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2ACN+H"	83.060376
"1536158"	599.099508	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+IsoProp+Na+H"	84.054008
"1002604"	299.556576	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+2ACN+2H"	84.067652
"1592734"	600.014128	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+K+HCOOH"	84.968628
"1422769"	630.045638	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+H+CF3COOH"	115.000138
"1153057"	320.069851	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+3ACN+2H"	125.094202
"1698234"	647.072185	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+NH4+CF3COOH"	132.026685
"1638261"	652.02758	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+Na+CF3COOH"	136.98208
"1573184"	668.00152	"C02509"	"3-(ADP)-glycerate"	"C13H19N5O13P2"	"515.0455"	"M+K+CF3COOH"	152.95602
"813028"	114.0429	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M"	0
"981093"	95.02451	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-H2O-H"	-19.01839
"72617"	75.021324	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M-3H"	-3.021828
"517651"	113.035624	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M-3H"	-3.021828
"892172"	37.007024	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-3H"	-3.021828
"11841"	113.035624	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M-2H"	-2.014552
"453589"	170.057074	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M-2H"	-2.014552
"832121"	56.014174	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-2H"	-2.014552
"91381"	227.078524	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M-H"	-1.007276
"531916"	341.121424	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M-H"	-1.007276
"909840"	113.035624	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-H"	-1.007276
"62146"	244.105071	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M-2H+NH4"	16.019271
"499395"	358.147971	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M-2H+NH4"	16.019271
"875746"	130.062171	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-2H+NH4"	16.019271
"43280"	249.060466	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M-2H+Na"	20.974666
"476642"	363.103366	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M-2H+Na"	20.974666
"858087"	135.017566	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-2H+Na"	20.974666
"1628715"	135.017566	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Na-2H"	20.974666
"103054"	131.023963	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M-H+Cl"	33.962126
"538244"	188.045413	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M-H+Cl"	33.962126
"929574"	74.002513	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-H+Cl"	33.962126
"268498"	263.055202	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+Cl"	34.969402
"664202"	377.098102	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+Cl"	34.969402
"1274660"	149.012302	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Cl"	34.969402
"17704"	265.034406	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M-2H+K"	36.948606
"464919"	379.077306	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M-2H+K"	36.948606
"842724"	150.991506	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-2H+K"	36.948606
"1567306"	150.991506	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+K-2H"	36.948606
"949722"	159.041094	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-H+HCOOH"	44.998194
"370127"	273.084001	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+HCOOH-H"	44.998201
"358384"	287.099651	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+Hac-H"	59.013851
"1502841"	173.056751	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Hac-H"	59.013851
"972693"	181.023051	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-H+NaCOOH"	66.980151
"125002"	149.012302	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+2Cl"	69.938804
"558850"	206.033752	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+2Cl"	69.938804
"1036037"	91.990852	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2Cl"	69.938804
"1253790"	192.961785	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Br"	78.918885
"1318425"	195.017772	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Cl+HCOOH"	80.974872
"1331551"	216.999729	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Cl+NaCOOH"	102.956829
"923700"	227.028486	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M-H+CF3COOH"	112.985586
"1301501"	263.005164	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Cl+CF3COOH"	148.962264
"1379664"	79.030224	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H-2H2O"	-35.012676
"1389505"	97.0402	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H-H2O"	-17.0027
"289192"	229.093076	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+H"	1.007276
"682706"	343.135976	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+H"	1.007276
"1355046"	115.050176	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H"	1.007276
"127573"	115.050176	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+2H"	2.014552
"573695"	172.071626	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+2H"	2.014552
"1042497"	58.028726	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2H"	2.014552
"213677"	77.035876	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+3H"	3.021828
"657617"	115.050176	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+3H"	3.021828
"1178384"	39.021576	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+3H"	3.021828
"437921"	246.119623	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+NH4"	18.033823
"800621"	360.162523	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+NH4"	18.033823
"1696343"	132.076723	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+NH4"	18.033823
"342798"	123.5634495	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+H+NH4"	19.041099
"738328"	180.5848995	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+H+NH4"	19.041099
"1489768"	66.5419995	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H+NH4"	19.041099
"404804"	251.075018	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+Na"	22.989218
"760693"	365.117918	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+Na"	22.989218
"1608792"	137.032118	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Na"	22.989218
"328923"	126.041147	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+H+Na"	23.996494
"721954"	183.062597	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+H+Na"	23.996494
"1476139"	69.019697	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H+Na"	23.996494
"1067073"	46.34889	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2H+Na"	25.00377
"1266199"	147.076386	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+CH3OH+H"	33.033486
"385867"	267.048958	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+K"	38.963158
"743945"	381.091858	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+K"	38.963158
"1547091"	153.006058	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+K"	38.963158
"304269"	134.028117	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+H+K"	39.970434
"696688"	191.049567	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+H+K"	39.970434
"1451603"	77.006667	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H+K"	39.970434
"243485"	270.119626	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+ACN+H"	42.033826
"1223854"	156.076726	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+ACN+H"	42.033826
"1204456"	78.542001	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+ACN+2H"	43.041102
"202431"	273.05696	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+2Na-H"	44.97116
"642854"	387.09986	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+2Na-H"	44.97116
"1146235"	159.01406	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2Na-H"	44.97116
"187338"	137.032118	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+2Na"	45.978436
"624342"	194.053568	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+2Na"	45.978436
"1128578"	80.010668	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2Na"	45.978436
"1412709"	53.676204	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H+2Na"	46.985712
"1443132"	161.055646	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H+HCOOH"	47.012746
"233186"	142.06514	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+3H2O+2H"	56.04448
"1520158"	175.10769	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+IsoProp+H"	61.06479
"421666"	145.019088	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+Na+K"	61.952376
"782298"	202.040538	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+Na+K"	61.952376
"1677169"	87.997638	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Na+K"	61.952376
"256033"	292.101568	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+ACN+Na"	64.015768
"1228739"	178.058668	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+ACN+Na"	64.015768
"1716165"	178.082193	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+NH4+HCOOH"	64.039293
"1186263"	61.003518	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+3Na"	68.967654
"1655061"	183.037588	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Na+HCOOH"	68.994688
"163016"	305.00484	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+2K-H"	76.91904
"598075"	419.04774	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+2K-H"	76.91904
"1089278"	190.96194	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2K-H"	76.91904
"143907"	153.006058	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"2M+2K"	77.926316
"586751"	210.027508	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"3M+2K"	77.926316
"1081837"	95.984608	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2K"	77.926316
"1114934"	192.976492	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2K+H"	78.933592
"1350344"	193.064107	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+DMSO+H"	79.021207
"1020088"	197.103276	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2ACN+H"	83.060376
"1536267"	198.096908	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+IsoProp+Na+H"	84.054008
"997247"	99.055276	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+2ACN+2H"	84.067652
"1592844"	199.011528	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+K+HCOOH"	84.968628
"1422879"	229.043038	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+H+CF3COOH"	115.000138
"1149887"	119.568551	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+3ACN+2H"	125.094202
"1697979"	246.069585	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+NH4+CF3COOH"	132.026685
"1638371"	251.02498	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+Na+CF3COOH"	136.98208
"1572930"	266.99892	"C02512"	"3-Cyano-L-alanine;L-3-Cyanoalanine;L-beta-Cyanoalanine"	"C4H6N2O2"	"114.0429"	"M+K+CF3COOH"	152.95602
"813138"	462.2981	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M"	0
"981203"	443.27971	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-H2O-H"	-19.01839
"72727"	307.191457333333	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M-3H"	-3.021828
"514482"	461.290824	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M-3H"	-3.021828
"889002"	153.092090666667	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-3H"	-3.021828
"13045"	461.290824	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M-2H"	-2.014552
"452606"	692.439874	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M-2H"	-2.014552
"831501"	230.141774	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-2H"	-2.014552
"90398"	923.588924	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M-H"	-1.007276
"532026"	1385.887024	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M-H"	-1.007276
"909948"	461.290824	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-H"	-1.007276
"62725"	940.615471	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M-2H+NH4"	16.019271
"498411"	1402.913571	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M-2H+NH4"	16.019271
"876217"	478.317371	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-2H+NH4"	16.019271
"41931"	945.570866	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M-2H+Na"	20.974666
"478209"	1407.868966	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M-2H+Na"	20.974666
"854917"	483.272766	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-2H+Na"	20.974666
"1625543"	483.272766	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Na-2H"	20.974666
"102072"	479.279163	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M-H+Cl"	33.962126
"541634"	710.428213	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M-H+Cl"	33.962126
"930777"	248.130113	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-H+Cl"	33.962126
"270066"	959.565602	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+Cl"	34.969402
"662488"	1421.863702	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+Cl"	34.969402
"1275984"	497.267502	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Cl"	34.969402
"18178"	961.544806	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M-2H+K"	36.948606
"465029"	1423.842906	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M-2H+K"	36.948606
"843927"	499.246706	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-2H+K"	36.948606
"1566323"	499.246706	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+K-2H"	36.948606
"953112"	507.296294	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-H+HCOOH"	44.998194
"373517"	969.594401	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+HCOOH-H"	44.998201
"356307"	983.610051	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+Hac-H"	59.013851
"1502951"	521.311951	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Hac-H"	59.013851
"971586"	529.278251	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-H+NaCOOH"	66.980151
"120494"	497.267502	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+2Cl"	69.938804
"554585"	728.416552	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+2Cl"	69.938804
"1035416"	266.118452	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2Cl"	69.938804
"1251711"	541.216985	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Br"	78.918885
"1318171"	543.272972	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Cl+HCOOH"	80.974872
"1331661"	565.254929	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Cl+NaCOOH"	102.956829
"924903"	575.283686	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M-H+CF3COOH"	112.985586
"1303433"	611.260364	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Cl+CF3COOH"	148.962264
"1380867"	427.285424	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H-2H2O"	-35.012676
"1393988"	445.2954	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H-H2O"	-17.0027
"292582"	925.603476	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+H"	1.007276
"685002"	1387.901576	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+H"	1.007276
"1356978"	463.305376	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H"	1.007276
"130964"	463.305376	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+2H"	2.014552
"571618"	694.454426	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+2H"	2.014552
"1042607"	232.156326	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2H"	2.014552
"210507"	309.206009333333	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+3H"	3.021828
"655539"	463.305376	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+3H"	3.021828
"1178046"	155.106642666667	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+3H"	3.021828
"438031"	942.630023	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+NH4"	18.033823
"799758"	1404.928123	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+NH4"	18.033823
"1695364"	480.331923	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+NH4"	18.033823
"343637"	471.8186495	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+H+NH4"	19.041099
"738415"	702.9676995	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+H+NH4"	19.041099
"1491337"	240.6695995	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H+NH4"	19.041099
"406371"	947.585418	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+Na"	22.989218
"761896"	1409.883518	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+Na"	22.989218
"1607808"	485.287318	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Na"	22.989218
"327693"	474.296347	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+H+Na"	23.996494
"722065"	705.445397	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+H+Na"	23.996494
"1476447"	243.147297	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H+Na"	23.996494
"1066089"	162.433956666667	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2H+Na"	25.00377
"1265578"	495.331586	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+CH3OH+H"	33.033486
"387434"	963.559358	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+K"	38.963158
"751710"	1425.857458	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+K"	38.963158
"1552669"	501.261258	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+K"	38.963158
"305472"	482.283317	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+H+K"	39.970434
"697892"	713.432367	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+H+K"	39.970434
"1454995"	251.134267	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H+K"	39.970434
"243595"	966.630026	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+ACN+H"	42.033826
"1225386"	504.331926	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+ACN+H"	42.033826
"1207847"	252.669601	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+ACN+2H"	43.041102
"202663"	969.56736	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+2Na-H"	44.97116
"643207"	1431.86546	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+2Na-H"	44.97116
"1146104"	507.26926	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2Na-H"	44.97116
"188176"	485.287318	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+2Na"	45.978436
"628099"	716.436368	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+2Na"	45.978436
"1129054"	254.138268	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2Na"	45.978436
"1412941"	169.761270666667	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H+2Na"	46.985712
"1444459"	509.310846	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H+HCOOH"	47.012746
"234390"	490.32034	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+3H2O+2H"	56.04448
"1521360"	523.36289	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+IsoProp+H"	61.06479
"421774"	493.274288	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+Na+K"	61.952376
"780947"	724.423338	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+Na+K"	61.952376
"1673997"	262.125238	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Na+K"	61.952376
"256143"	988.611968	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+ACN+Na"	64.015768
"1229944"	526.313868	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+ACN+Na"	64.015768
"1721015"	526.337393	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+NH4+HCOOH"	64.039293
"1186373"	177.088584666667	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+3Na"	68.967654
"1655171"	531.292788	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Na+HCOOH"	68.994688
"163126"	1001.51524	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+2K-H"	76.91904
"598188"	1463.81334	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+2K-H"	76.91904
"1089388"	539.21714	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2K-H"	76.91904
"141944"	501.261258	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"2M+2K"	77.926316
"589047"	732.410308	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"3M+2K"	77.926316
"1083650"	270.112208	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2K"	77.926316
"1114436"	541.231692	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2K+H"	78.933592
"1349720"	541.319307	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+DMSO+H"	79.021207
"1018250"	545.358476	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2ACN+H"	83.060376
"1538810"	546.352108	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+IsoProp+Na+H"	84.054008
"1000637"	273.182876	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+2ACN+2H"	84.067652
"1591861"	547.266728	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+K+HCOOH"	84.968628
"1422989"	577.298238	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+H+CF3COOH"	115.000138
"1149267"	293.696151	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+3ACN+2H"	125.094202
"1698819"	594.324785	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+NH4+CF3COOH"	132.026685
"1638481"	599.28018	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+Na+CF3COOH"	136.98208
"1573040"	615.25412	"C02513"	"3-Dehydroecdysone"	"C27H42O6"	"462.2981"	"M+K+CF3COOH"	152.95602
"813248"	186.0164	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M"	0
"981313"	166.99801	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"72837"	123.003657333333	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"515685"	185.009124	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"889112"	60.9981906666667	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"10968"	185.009124	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"452715"	278.017324	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"831611"	92.000924	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"87228"	371.025524	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"528977"	557.041924	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"910787"	185.009124	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"62533"	388.052071	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"495241"	574.068471	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"878150"	202.035671	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"36938"	393.007466	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"478319"	579.023866	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"853933"	206.991066	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1625653"	206.991066	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"98173"	202.997463	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"539557"	296.005663	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"930883"	109.989263	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"269444"	407.002202	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"662234"	593.018602	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1274638"	220.985802	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"18288"	408.981406	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"461859"	594.997806	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"839662"	222.965006	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1563151"	222.965006	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"953588"	231.014594	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"372899"	417.031001	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"358237"	431.046651	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1502697"	245.030251	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"970239"	252.996551	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"120239"	220.985802	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"555059"	313.994002	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1033337"	127.977602	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1248541"	264.935285	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1315364"	266.991272	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1332136"	288.973229	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"922827"	299.001986	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1297347"	334.978664	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1379885"	151.003724	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1394098"	169.0137	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"292692"	373.040076	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"684019"	559.056476	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1353808"	187.023676	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"129251"	187.023676	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"571728"	280.031876	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1042717"	94.015476	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"210617"	125.018209333333	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"655649"	187.023676	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1178117"	63.0127426666667	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"437047"	390.066623	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"799504"	576.083023	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1696080"	204.050223	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"343019"	195.5369495	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"738077"	288.5451495	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1491083"	102.5287495	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"406117"	395.022018	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"762006"	581.038418	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1609011"	209.005618	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"327074"	198.014647	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"722217"	291.022847	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1475504"	105.006447	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1065105"	70.3400566666667	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1266417"	219.049886	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"386451"	410.995958	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"752185"	597.012358	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1549499"	224.979558	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"300114"	206.001617	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"695814"	299.009817	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1455104"	112.993417	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"243705"	414.066626	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1225132"	228.050226	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1209377"	114.528751	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"203381"	417.00396	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"644159"	603.02036	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1146916"	230.98756	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"188406"	209.005618	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"626020"	302.013818	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1128797"	115.997418	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1413049"	77.6673706666667	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1445293"	233.029146	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"233041"	214.03864	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1522563"	247.08119	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"418968"	216.992588	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"781057"	310.000788	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1666450"	123.984388	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"254065"	436.048568	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1230054"	250.032168	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1717845"	250.055693	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1183199"	84.9946846666667	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1653094"	255.011088	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"162142"	448.95184	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"598297"	634.96824	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1089498"	262.93544	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"143270"	224.979558	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"589158"	317.987758	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1080233"	131.971358	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1115238"	264.949992	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1350196"	265.037607	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1020304"	269.076776	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1537580"	270.070408	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"1004027"	135.042026	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1591971"	270.985028	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1426379"	301.016538	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1151199"	155.555301	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1700752"	318.043085	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1638591"	322.99848	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1576430"	338.97242	"C02514"	"3-Fumarylpyruvate"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"813358"	306.9705	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M"	0
"983610"	287.95211	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-H2O-H"	-19.01839
"75134"	203.639724	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M-3H"	-3.021828
"515794"	305.963224	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M-3H"	-3.021828
"889222"	101.316224	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-3H"	-3.021828
"11077"	305.963224	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M-2H"	-2.014552
"450638"	459.448474	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M-2H"	-2.014552
"830626"	152.477974	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-2H"	-2.014552
"88431"	612.933724	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M-H"	-1.007276
"529086"	919.904224	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M-H"	-1.007276
"906889"	305.963224	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-H"	-1.007276
"61749"	629.960271	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M-2H+NH4"	16.019271
"495351"	936.930771	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M-2H+NH4"	16.019271
"876438"	322.989771	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-2H+NH4"	16.019271
"36683"	634.915666	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M-2H+Na"	20.974666
"476242"	941.886166	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M-2H+Na"	20.974666
"851857"	327.945166	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-2H+Na"	20.974666
"1623575"	327.945166	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Na-2H"	20.974666
"96097"	323.951563	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M-H+Cl"	33.962126
"535294"	477.436813	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M-H+Cl"	33.962126
"930991"	170.466313	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-H+Cl"	33.962126
"268461"	648.910402	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+Cl"	34.969402
"661979"	955.880902	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+Cl"	34.969402
"1274383"	341.939902	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Cl"	34.969402
"18034"	650.889606	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M-2H+K"	36.948606
"458688"	957.860106	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M-2H+K"	36.948606
"839772"	343.919106	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-2H+K"	36.948606
"1559981"	343.919106	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+K-2H"	36.948606
"951144"	351.968694	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-H+HCOOH"	44.998194
"363526"	658.939201	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+HCOOH-H"	44.998201
"352150"	672.954851	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+Hac-H"	59.013851
"1498796"	365.984351	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Hac-H"	59.013851
"967432"	373.950651	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-H+NaCOOH"	66.980151
"122171"	341.939902	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+2Cl"	69.938804
"553712"	495.425152	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+2Cl"	69.938804
"1025792"	188.454652	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2Cl"	69.938804
"1245370"	385.889385	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Br"	78.918885
"1315474"	387.945372	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Cl+HCOOH"	80.974872
"1331880"	409.927329	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Cl+NaCOOH"	102.956829
"922937"	419.956086	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M-H+CF3COOH"	112.985586
"1297457"	455.932764	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Cl+CF3COOH"	148.962264
"1380724"	271.957824	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H-2H2O"	-35.012676
"1394208"	289.9678	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H-H2O"	-17.0027
"292802"	614.948276	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+H"	1.007276
"684129"	921.918776	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+H"	1.007276
"1355375"	307.977776	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H"	1.007276
"128997"	307.977776	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+2H"	2.014552
"572931"	461.463026	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+2H"	2.014552
"1040640"	154.492526	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2H"	2.014552
"206351"	205.654276	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+3H"	3.021828
"657580"	307.977776	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+3H"	3.021828
"1176437"	103.330776	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+3H"	3.021828
"438377"	631.974823	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+NH4"	18.033823
"799249"	938.945323	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+NH4"	18.033823
"1693757"	325.004323	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+NH4"	18.033823
"341669"	316.4910495	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+H+NH4"	19.041099
"732997"	469.9762995	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+H+NH4"	19.041099
"1488640"	163.0057995	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H+NH4"	19.041099
"402217"	636.930218	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+Na"	22.989218
"764302"	943.900718	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+Na"	22.989218
"1613495"	329.959718	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Na"	22.989218
"326821"	318.968747	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+H+Na"	23.996494
"721435"	472.453997	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+H+Na"	23.996494
"1475497"	165.483497	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H+Na"	23.996494
"1067038"	110.65809	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2H+Na"	25.00377
"1265435"	340.003986	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+CH3OH+H"	33.033486
"386561"	652.904158	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+K"	38.963158
"750473"	959.874658	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+K"	38.963158
"1552527"	345.933658	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+K"	38.963158
"302412"	326.955717	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+H+K"	39.970434
"701395"	480.440967	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+H+K"	39.970434
"1451933"	173.470467	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H+K"	39.970434
"243815"	655.974826	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+ACN+H"	42.033826
"1224794"	349.004326	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+ACN+H"	42.033826
"1208434"	175.005801	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+ACN+2H"	43.041102
"203128"	658.91216	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+2Na-H"	44.97116
"642454"	965.88266	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+2Na-H"	44.97116
"1146443"	351.94166	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2Na-H"	44.97116
"187547"	329.959718	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+2Na"	45.978436
"627225"	483.444968	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+2Na"	45.978436
"1128543"	176.474468	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2Na"	45.978436
"1409514"	117.985404	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H+2Na"	46.985712
"1444917"	353.983246	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H+HCOOH"	47.012746
"231694"	334.99274	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+3H2O+2H"	56.04448
"1522309"	368.03529	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+IsoProp+H"	61.06479
"416528"	337.946688	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+Na+K"	61.952376
"779346"	491.431938	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+Na+K"	61.952376
"1667288"	184.461438	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Na+K"	61.952376
"256360"	677.956768	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+ACN+Na"	64.015768
"1233444"	370.986268	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+ACN+Na"	64.015768
"1720872"	371.009793	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+NH4+HCOOH"	64.039293
"1184402"	125.312718	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+3Na"	68.967654
"1657213"	375.965188	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Na+HCOOH"	68.994688
"163345"	690.86004	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+2K-H"	76.91904
"598893"	997.83054	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+2K-H"	76.91904
"1085354"	383.88954	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2K-H"	76.91904
"142166"	345.933658	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"2M+2K"	77.926316
"589268"	499.418908	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"3M+2K"	77.926316
"1080343"	192.448408	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2K"	77.926316
"1115342"	385.904092	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2K+H"	78.933592
"1343378"	385.991707	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+DMSO+H"	79.021207
"1019563"	390.030876	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2ACN+H"	83.060376
"1538783"	391.024508	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+IsoProp+Na+H"	84.054008
"1001949"	195.519076	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+2ACN+2H"	84.067652
"1595361"	391.939128	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+K+HCOOH"	84.968628
"1426489"	421.970638	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+H+CF3COOH"	115.000138
"1150216"	216.032351	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+3ACN+2H"	125.094202
"1700862"	438.997185	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+NH4+CF3COOH"	132.026685
"1636514"	443.95258	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+Na+CF3COOH"	136.98208
"1573260"	459.92652	"C02515"	"3-Iodo-L-tyrosine"	"C9H10INO3"	"306.9705"	"M+K+CF3COOH"	152.95602
"816020"	251.1032	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M"	0
"987000"	232.08481	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-H2O-H"	-19.01839
"76339"	166.394857333333	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M-3H"	-3.021828
"517000"	250.095924	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M-3H"	-3.021828
"893343"	82.6937906666667	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-3H"	-3.021828
"14104"	250.095924	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M-2H"	-2.014552
"452935"	375.647524	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M-2H"	-2.014552
"831347"	124.544324	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-2H"	-2.014552
"93039"	501.199124	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M-H"	-1.007276
"534170"	752.302324	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M-H"	-1.007276
"909920"	250.095924	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-H"	-1.007276
"61863"	518.225671	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M-2H+NH4"	16.019271
"495460"	769.328871	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M-2H+NH4"	16.019271
"871081"	267.122471	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-2H+NH4"	16.019271
"40073"	523.181066	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M-2H+Na"	20.974666
"477808"	774.284266	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M-2H+Na"	20.974666
"855246"	272.077866	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-2H+Na"	20.974666
"1624780"	272.077866	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Na-2H"	20.974666
"96935"	268.084263	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M-H+Cl"	33.962126
"535404"	393.635863	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M-H+Cl"	33.962126
"930009"	142.532663	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-H+Cl"	33.962126
"268571"	537.175802	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+Cl"	34.969402
"661117"	788.279002	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+Cl"	34.969402
"1277773"	286.072602	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Cl"	34.969402
"21424"	539.155006	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M-2H+K"	36.948606
"458798"	790.258206	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M-2H+K"	36.948606
"843162"	288.051806	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-2H+K"	36.948606
"1563370"	288.051806	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+K-2H"	36.948606
"947973"	296.101394	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-H+HCOOH"	44.998194
"367282"	547.204601	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+HCOOH-H"	44.998201
"352260"	561.220251	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+Hac-H"	59.013851
"1501093"	310.117051	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Hac-H"	59.013851
"965355"	318.083351	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-H+NaCOOH"	66.980151
"121916"	286.072602	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+2Cl"	69.938804
"551635"	411.624202	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+2Cl"	69.938804
"1025902"	160.521002	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2Cl"	69.938804
"1248759"	330.022085	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Br"	78.918885
"1317771"	332.078072	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Cl+HCOOH"	80.974872
"1331625"	354.060029	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Cl+NaCOOH"	102.956829
"920859"	364.088786	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M-H+CF3COOH"	112.985586
"1292100"	400.065464	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Cl+CF3COOH"	148.962264
"1380835"	216.090524	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H-2H2O"	-35.012676
"1387758"	234.1005	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H-H2O"	-17.0027
"285258"	503.213676	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+H"	1.007276
"678772"	754.316876	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+H"	1.007276
"1353299"	252.110476	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H"	1.007276
"131291"	252.110476	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+2H"	2.014552
"574135"	377.662076	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+2H"	2.014552
"1039657"	126.558876	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2H"	2.014552
"208650"	168.409409333333	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+3H"	3.021828
"659864"	252.110476	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+3H"	3.021828
"1178295"	84.7083426666667	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+3H"	3.021828
"438362"	520.240223	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+NH4"	18.033823
"798994"	771.343423	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+NH4"	18.033823
"1695930"	269.137023	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+NH4"	18.033823
"341779"	260.6237495	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+H+NH4"	19.041099
"736024"	386.1753495	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+H+NH4"	19.041099
"1488020"	135.0721495	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H+NH4"	19.041099
"403417"	525.195618	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+Na"	22.989218
"763319"	776.298818	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+Na"	22.989218
"1613605"	274.092418	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Na"	22.989218
"326931"	263.101447	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+H+Na"	23.996494
"722399"	388.653047	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+H+Na"	23.996494
"1475971"	137.549847	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H+Na"	23.996494
"1067393"	92.0356566666667	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2H+Na"	25.00377
"1268098"	284.136686	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+CH3OH+H"	33.033486
"388860"	541.169558	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+K"	38.963158
"753501"	792.272758	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+K"	38.963158
"1554339"	290.066358	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+K"	38.963158
"304709"	271.088417	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+H+K"	39.970434
"701141"	396.640017	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+H+K"	39.970434
"1453136"	145.536817	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H+K"	39.970434
"244654"	544.240226	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+ACN+H"	42.033826
"1223821"	293.137026	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+ACN+H"	42.033826
"1207824"	147.072151	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+ACN+2H"	43.041102
"201790"	547.17756	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+2Na-H"	44.97116
"641715"	798.28076	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+2Na-H"	44.97116
"1144493"	296.07436	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2Na-H"	44.97116
"186929"	274.092418	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+2Na"	45.978436
"626608"	399.644018	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+2Na"	45.978436
"1129019"	148.540818	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2Na"	45.978436
"1409624"	99.3629706666667	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H+2Na"	46.985712
"1445030"	298.115946	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H+HCOOH"	47.012746
"234724"	279.12544	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+3H2O+2H"	56.04448
"1522055"	312.16799	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+IsoProp+H"	61.06479
"418461"	282.079388	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+Na+K"	61.952376
"780550"	407.630988	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+Na+K"	61.952376
"1667764"	156.527788	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Na+K"	61.952376
"258658"	566.222168	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+ACN+Na"	64.015768
"1234284"	315.118968	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+ACN+Na"	64.015768
"1721711"	315.142493	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+NH4+HCOOH"	64.039293
"1183420"	106.690284666667	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+3Na"	68.967654
"1657687"	320.097888	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Na+HCOOH"	68.994688
"163090"	579.12544	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+2K-H"	76.91904
"599735"	830.22864	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+2K-H"	76.91904
"1086437"	328.02224	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2K-H"	76.91904
"142399"	290.066358	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"2M+2K"	77.926316
"589378"	415.617958	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"3M+2K"	77.926316
"1080453"	164.514758	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2K"	77.926316
"1115599"	330.036792	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2K+H"	78.933592
"1345675"	330.124407	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+DMSO+H"	79.021207
"1020281"	334.163576	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2ACN+H"	83.060376
"1537799"	335.157208	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+IsoProp+Na+H"	84.054008
"997684"	167.585426	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+2ACN+2H"	84.067652
"1591095"	336.071828	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+K+HCOOH"	84.968628
"1426599"	366.103338	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+H+CF3COOH"	115.000138
"1154700"	188.098701	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+3ACN+2H"	125.094202
"1700972"	383.129885	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+NH4+CF3COOH"	132.026685
"1639904"	388.08528	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+Na+CF3COOH"	136.98208
"1576650"	404.05922	"C02517"	"3-Oxohexobarbital"	"C12H15N2O4"	"251.1032"	"M+K+CF3COOH"	152.95602
"812485"	153.0426	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M"	0
"980550"	134.02421	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"76447"	101.021124	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"516627"	152.035324	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"893820"	50.006924	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"14943"	152.035324	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"454138"	228.556624	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"831580"	75.514024	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"92913"	305.077924	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"532472"	458.120524	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"909790"	152.035324	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"61733"	322.104471	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"501404"	475.147071	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"873378"	169.061871	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"41277"	327.059866	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"479742"	480.102466	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"859732"	174.017266	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1627077"	174.017266	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"100328"	170.023663	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"539888"	246.544963	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"929394"	93.502363	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"270868"	341.054602	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"662199"	494.097202	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1277883"	188.012002	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"27002"	343.033806	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"462188"	496.076406	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"836714"	189.991206	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1560201"	189.991206	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"945897"	198.040794	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"365206"	351.083401	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"354558"	365.099051	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1503391"	212.056451	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"969839"	220.022751	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"122026"	188.012002	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"553932"	264.533302	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1028199"	111.490702	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1248869"	231.961485	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1314602"	234.017472	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1331008"	255.999429	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"923157"	266.028186	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1300957"	302.004864	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1379851"	118.029924	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1393334"	136.0399	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"290835"	307.092476	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"684350"	460.135076	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1361793"	154.049876	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"135776"	154.049876	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"574243"	230.571176	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1046327"	77.528576	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"214226"	103.035676	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"654880"	154.049876	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1177746"	52.021476	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"439203"	324.119023	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"801090"	477.161623	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1696165"	171.076423	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"342981"	162.5631495	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"736862"	239.0844495	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1490685"	86.0418495	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"402434"	329.074418	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"764524"	482.117018	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1614808"	176.031818	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"324489"	165.040847	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"721938"	241.562147	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1472191"	88.519547	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1065436"	59.34879	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1264927"	186.076086	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"386781"	345.048358	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"748872"	498.090958	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1550925"	192.005758	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"311383"	173.027817	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"706238"	249.549117	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1459083"	96.506517	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"245496"	348.119026	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1224050"	195.076426	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1207570"	98.041851	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"203353"	351.05636	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"641460"	504.09896	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1144239"	198.01376	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"187895"	176.031818	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"626726"	252.553118	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1128772"	99.510518	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1412535"	66.676104	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1442953"	200.055346	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"234106"	181.06484	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1519615"	214.10739	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"421489"	184.018788	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"782484"	260.540088	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1671157"	107.497488	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"258770"	370.100968	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1235487"	217.058368	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1722187"	217.081893	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1190457"	74.003418	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1660715"	222.037288	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"165389"	383.00424	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"606042"	536.04684	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1093105"	229.96164	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"148828"	192.005758	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"586200"	268.527058	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1072903"	115.484458	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1106116"	231.976192	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1345783"	232.063807	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1015041"	236.102976	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1539005"	237.096608	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"998888"	118.555126	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1591204"	238.011228	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1428896"	268.042738	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1158090"	139.068401	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1704362"	285.069285	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1642201"	290.02468	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1573479"	305.99862	"C02518"	"4-Aminosalicylate;4-Aminosalicylic acid"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"813688"	152.0473	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M"	0
"980660"	133.02891	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"73277"	100.357590666667	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"516857"	151.040024	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"893928"	49.6751573333333	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"15685"	151.040024	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"454980"	227.063674	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"832732"	75.016374	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"94113"	303.087324	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"533595"	455.134624	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"910872"	151.040024	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"62574"	320.113871	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"499691"	472.161171	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"873488"	168.066571	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"43574"	325.069266	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"479852"	477.116566	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"857655"	173.021966	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1626094"	173.021966	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"98615"	169.028363	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"539998"	245.052013	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"927800"	93.004713	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"268546"	339.064002	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"661458"	491.111302	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1276899"	187.016702	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"24924"	341.043206	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"462298"	493.090506	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"836824"	188.995906	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1557031"	188.995906	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"944914"	197.045494	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"365316"	349.092801	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"350294"	363.108451	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1495117"	211.061151	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"962293"	219.027451	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"119949"	187.016702	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"554042"	263.040352	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1026122"	110.993052	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1248979"	230.966185	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1314712"	233.022172	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1332941"	255.004129	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"923267"	265.032886	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1298880"	301.009564	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1379961"	117.034624	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1392351"	135.0446	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"292038"	305.101876	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"684460"	457.149176	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1363364"	153.054576	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"132605"	153.054576	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"572167"	229.078226	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1043157"	77.030926	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"213972"	102.372142666667	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"650616"	153.054576	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1170929"	51.6897093333333	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"438213"	322.128423	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"799943"	474.175723	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1695181"	170.081123	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"341997"	161.5678495	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"737582"	237.5914995	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1491887"	85.5441995	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"401451"	327.083818	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"761354"	479.131118	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1612733"	175.036518	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"324963"	164.045547	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"718484"	240.069197	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1473396"	88.021897	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1066639"	59.0170233333333	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1263943"	185.080786	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"384705"	343.057758	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"750075"	495.105058	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1551036"	191.010458	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"311857"	172.032517	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"706550"	248.056167	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1459557"	96.008867	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"246334"	346.128426	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1224887"	194.081126	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1209462"	97.544201	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"201278"	349.06576	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"643631"	501.11306	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1144347"	197.01846	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"187275"	175.036518	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"626953"	251.060168	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1130215"	99.012868	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1412037"	66.3443373333333	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1442333"	199.060046	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"233851"	180.06954	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1520819"	213.11209	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"420503"	183.023488	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"781138"	259.047138	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1675641"	106.999838	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"257787"	368.110368	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1232681"	216.063068	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1720475"	216.086593	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1186920"	73.6716513333333	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1659003"	221.041988	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"166956"	381.01364	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"603236"	533.06094	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1091030"	228.96634	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"147844"	191.010458	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"585217"	267.034108	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1070826"	114.986808	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1100874"	230.980892	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1344800"	231.068507	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1015515"	235.107676	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1539477"	236.101308	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"996811"	118.057476	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1589492"	237.015928	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1428642"	267.047438	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1158200"	138.570751	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1704472"	284.073985	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1642311"	289.02938	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1573589"	305.00332	"C02519"	"4-Methoxybenzoate;4-Methoxybenzoic acid;4-Anisic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"815626"	164.0685	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M"	0
"987335"	145.05011	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"74487"	108.371724	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"516235"	163.061224	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"893672"	53.682224	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"12611"	163.061224	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"452170"	245.095474	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"826690"	81.026974	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"91421"	327.129724	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"530252"	491.198224	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"909512"	163.061224	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"54049"	344.156271	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"500169"	508.224771	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"871413"	180.087771	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"35302"	349.111666	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"474134"	513.180166	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"852663"	185.043166	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1624018"	185.043166	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"100544"	181.049563	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"537189"	263.083813	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"940189"	99.015313	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"277653"	363.106402	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"664609"	527.174902	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1275917"	199.037902	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"25036"	365.085606	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"457063"	529.154106	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"834134"	201.017106	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1558233"	201.017106	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"945024"	209.066694	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"366520"	373.135201	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"347124"	387.150851	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1495953"	223.082351	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"966780"	231.048651	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"114592"	199.037902	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"559621"	281.072152	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1032796"	117.003652	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1252015"	242.987385	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1314826"	245.043372	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1331956"	267.025329	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"921925"	277.054086	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1297906"	313.030764	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1377886"	129.055824	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1391373"	147.0658	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"286685"	329.144276	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"680197"	493.212776	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1358736"	165.075776	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"140382"	165.075776	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"578483"	247.110026	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1048737"	83.041526	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"214085"	110.386276	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"648542"	165.075776	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1171041"	55.696776	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"429940"	346.170823	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"795310"	510.239323	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1693828"	182.102323	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"343200"	173.5890495	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"735257"	255.6232995	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1485069"	91.5547995	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"400469"	351.126218	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"763658"	515.194718	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1616132"	187.057718	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"325081"	176.066747	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"721750"	258.100997	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1473871"	94.032497	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1067116"	63.02409	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1267334"	197.101986	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"390285"	367.100158	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"750186"	531.168658	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1550782"	203.031658	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"310510"	184.053717	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"706214"	266.087967	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1460764"	102.019467	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"250344"	370.170826	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1223544"	206.102326	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1209367"	103.554801	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"202483"	373.10816	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"642774"	537.17666	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1143358"	209.03966	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"186286"	187.057718	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"626210"	269.091968	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1128260"	105.023468	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1411785"	70.351404	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1439890"	211.081246	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"233596"	192.09074	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1521658"	225.13329	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"417331"	195.044688	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"780516"	277.078938	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1674658"	113.010438	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"254252"	392.152768	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1231697"	228.084268	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1720582"	228.107793	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1187759"	77.678718	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1655828"	233.063188	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"162690"	405.05604	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"602251"	569.12454	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1089315"	240.98754	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"145772"	203.031658	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"587518"	285.065908	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1084189"	120.997408	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1109620"	243.002092	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1351274"	243.089707	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1020003"	247.128876	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1538131"	248.122508	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1001300"	124.068076	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1595802"	249.037128	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1422556"	279.068638	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1153937"	144.581351	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1702396"	296.095185	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1643513"	301.05058	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1571348"	317.02452	"C02522"	"6-Deoxy-D-glucose;D-Quinovose;D-Chinovose;D-Glucomethylose;Isorhamnose;D-Epifucose;Isorhodeose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"813912"	186.0681	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M"	0
"988175"	167.04971	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"75692"	123.038124	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"516344"	185.060824	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"887587"	61.015424	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"13815"	185.060824	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"451186"	278.094874	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"829716"	92.026774	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"92868"	371.128924	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"528538"	557.197024	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"903067"	185.060824	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"54160"	388.155471	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"493722"	574.223571	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"865327"	202.087371	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"32864"	393.110866	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"472907"	579.178966	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"850222"	207.042766	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1621940"	207.042766	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"96281"	203.049163	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"540226"	296.083213	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"935929"	110.015113	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"271207"	407.105602	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"671283"	593.173702	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1278218"	221.037502	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"17493"	409.084806	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"459242"	595.152906	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"833765"	223.016706	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1560533"	223.016706	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"950603"	231.066294	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"365539"	417.134401	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"353796"	431.150051	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1504817"	245.081951	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"966890"	253.048251	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"123456"	221.037502	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"564108"	314.071552	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1032547"	128.003452	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1253584"	264.986985	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1314939"	267.042972	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1331342"	289.024929	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"920213"	299.053686	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1298014"	335.030364	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1378363"	151.055424	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1395133"	169.0654	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"290076"	373.143476	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"687242"	559.211576	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1364684"	187.075376	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"140007"	187.075376	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"579323"	280.109426	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1048483"	94.041326	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"214195"	125.052676	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"651934"	187.075376	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1175530"	63.029976	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"438319"	390.170023	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"799677"	576.238123	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1689564"	204.101923	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"342949"	195.5886495	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"735008"	288.6226995	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1490649"	102.5545995	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"405692"	395.125418	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"764863"	581.193518	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1614055"	209.057318	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"325553"	198.066347	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"711411"	291.100397	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1471430"	105.032297	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1062853"	70.35729	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1267810"	219.101586	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"386019"	411.099358	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"748475"	597.167458	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1549796"	225.031258	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"308433"	206.053317	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"704866"	299.087367	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1459419"	113.019267	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"250206"	414.170026	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1224377"	228.101926	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1208507"	114.554601	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"202589"	417.10736	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"642513"	603.17546	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1145172"	231.03926	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"185663"	209.057318	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"624132"	302.091368	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1128368"	116.023268	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1404604"	77.684604	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1440000"	233.080846	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"231883"	214.09034	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1521769"	247.13289	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"419631"	217.044288	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"779168"	310.078338	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1669302"	124.010238	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"259100"	436.151968	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1231805"	250.083868	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1718869"	250.107393	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1183860"	85.011918	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1654846"	255.062788	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"160616"	449.05524	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"600178"	635.12334	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1098183"	262.98714	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"146977"	225.031258	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"597058"	318.065308	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1077614"	131.997208	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1114229"	265.001692	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1346116"	265.089307	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1019023"	269.128476	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1534961"	270.122108	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"997037"	135.067876	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1591542"	271.036728	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1418293"	301.068238	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1151132"	155.581151	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1701412"	318.094785	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1638156"	323.05018	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1577093"	339.02412	"C02526"	"Biphenyl-23-diol;23-Dihydroxybiphenyl;3-Phenylcatechol"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"812928"	168.0188	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M"	0
"979901"	149.00041	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-H2O-H"	-19.01839
"75798"	111.005257333333	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M-3H"	-3.021828
"514994"	167.011524	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M-3H"	-3.021828
"890975"	54.9989906666667	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-3H"	-3.021828
"10645"	167.011524	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H"	-2.014552
"446923"	251.020924	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H"	-2.014552
"829097"	83.002124	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H"	-2.014552
"92492"	335.030324	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M-H"	-1.007276
"524275"	503.049124	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M-H"	-1.007276
"902077"	167.011524	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-H"	-1.007276
"52083"	352.056871	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H+NH4"	16.019271
"492734"	520.075671	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H+NH4"	16.019271
"869442"	184.038071	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H+NH4"	16.019271
"34064"	357.012266	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H+Na"	20.974666
"472165"	525.031066	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H+Na"	20.974666
"849605"	188.993466	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H+Na"	20.974666
"1618509"	188.993466	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na-2H"	20.974666
"94971"	184.999863	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M-H+Cl"	33.962126
"537056"	269.009263	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M-H+Cl"	33.962126
"936039"	100.990463	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+Cl"	33.962126
"271317"	371.007002	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Cl"	34.969402
"670666"	539.025802	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+Cl"	34.969402
"1275049"	202.988202	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl"	34.969402
"17115"	372.986206	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H+K"	36.948606
"460445"	541.005006	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H+K"	36.948606
"834968"	204.967406	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H+K"	36.948606
"1560643"	204.967406	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+K-2H"	36.948606
"951806"	213.016994	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+HCOOH"	44.998194
"364554"	381.035801	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+HCOOH-H"	44.998201
"348070"	395.051451	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Hac-H"	59.013851
"1498365"	227.032651	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Hac-H"	59.013851
"967000"	234.998951	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+NaCOOH"	66.980151
"119191"	202.988202	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2Cl"	69.938804
"563124"	286.997602	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2Cl"	69.938804
"1033747"	118.978802	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2Cl"	69.938804
"1253691"	246.937685	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Br"	78.918885
"1317597"	248.993672	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl+HCOOH"	80.974872
"1330358"	270.975629	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl+NaCOOH"	102.956829
"920323"	281.004386	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+CF3COOH"	112.985586
"1297030"	316.981064	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl+CF3COOH"	148.962264
"1376284"	133.006124	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H-2H2O"	-35.012676
"1392687"	151.0161	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H-H2O"	-17.0027
"290186"	337.044876	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H"	1.007276
"686985"	505.063676	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H"	1.007276
"1364794"	169.026076	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H"	1.007276
"140604"	169.026076	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2H"	2.014552
"580041"	253.035476	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2H"	2.014552
"1048957"	85.016676	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2H"	2.014552
"214305"	113.019809333333	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+3H"	3.021828
"652044"	169.026076	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+3H"	3.021828
"1176368"	57.0135426666667	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+3H"	3.021828
"438185"	354.071423	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+NH4"	18.033823
"799544"	522.090223	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+NH4"	18.033823
"1689674"	186.052623	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+NH4"	18.033823
"343059"	177.5393495	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H+NH4"	19.041099
"736576"	261.5487495	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H+NH4"	19.041099
"1490030"	93.5299495	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+NH4"	19.041099
"406045"	359.026818	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Na"	22.989218
"764973"	527.045618	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+Na"	22.989218
"1613072"	191.008018	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na"	22.989218
"326028"	180.017047	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H+Na"	23.996494
"711157"	264.026447	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H+Na"	23.996494
"1471904"	96.007647	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+Na"	23.996494
"1065515"	64.3408566666667	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2H+Na"	25.00377
"1268647"	201.052286	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+CH3OH+H"	33.033486
"388680"	375.000758	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+K"	38.963158
"748584"	543.019558	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+K"	38.963158
"1544803"	206.981958	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+K"	38.963158
"308543"	188.004017	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H+K"	39.970434
"704976"	272.013417	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H+K"	39.970434
"1457708"	103.994617	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+K"	39.970434
"249830"	378.071426	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+ACN+H"	42.033826
"1222664"	210.052626	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+ACN+H"	42.033826
"1205821"	105.529951	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+ACN+2H"	43.041102
"200508"	381.00876	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2Na-H"	44.97116
"637883"	549.02756	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2Na-H"	44.97116
"1143213"	212.98996	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2Na-H"	44.97116
"184677"	191.008018	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2Na"	45.978436
"623147"	275.017418	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2Na"	45.978436
"1124467"	106.998618	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2Na"	45.978436
"1405807"	71.6681706666667	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+2Na"	46.985712
"1439747"	215.031546	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+HCOOH"	47.012746
"229806"	196.04104	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+3H2O+2H"	56.04448
"1521149"	229.08359	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+IsoProp+H"	61.06479
"420835"	198.994988	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Na+K"	61.952376
"779643"	283.004388	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+Na+K"	61.952376
"1674880"	114.985588	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na+K"	61.952376
"255930"	400.053368	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+ACN+Na"	64.015768
"1227544"	232.034568	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+ACN+Na"	64.015768
"1718618"	232.058093	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+NH4+HCOOH"	64.039293
"1179594"	78.9954846666667	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+3Na"	68.967654
"1651675"	237.013488	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na+HCOOH"	68.994688
"158535"	412.95664	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2K-H"	76.91904
"600287"	580.97544	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2K-H"	76.91904
"1096833"	244.93784	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2K-H"	76.91904
"145994"	206.981958	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2K"	77.926316
"592119"	290.991358	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2K"	77.926316
"1074444"	122.972558	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2K"	77.926316
"1112029"	246.952392	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2K+H"	78.933592
"1345132"	247.040007	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+DMSO+H"	79.021207
"1012573"	251.079176	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2ACN+H"	83.060376
"1528511"	252.072808	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+IsoProp+Na+H"	84.054008
"994961"	126.043226	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+2ACN+2H"	84.067652
"1589465"	252.987428	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+K+HCOOH"	84.968628
"1417310"	283.018938	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+CF3COOH"	115.000138
"1150878"	146.556501	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+3ACN+2H"	125.094202
"1700429"	300.045485	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+NH4+CF3COOH"	132.026685
"1635351"	305.00088	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na+CF3COOH"	136.98208
"1573923"	320.97482	"C02527"	"Butanoylphosphate;Butanoyl phosphate"	"C4H9O5P"	"168.0188"	"M+K+CF3COOH"	152.95602
"811945"	392.2927	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M"	0
"983291"	373.27431	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"75908"	260.521190666667	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"515468"	391.285424	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"892176"	129.756957333333	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"9658"	391.285424	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"447033"	587.431774	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"828114"	195.139074	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"93981"	783.578124	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"523291"	1175.870824	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"905467"	391.285424	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"54380"	800.604671	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"492844"	1192.897371	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"868458"	408.311971	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"34537"	805.560066	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"473245"	1197.852766	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"850079"	413.267366	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1618756"	413.267366	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"96860"	409.273763	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"538259"	605.420113	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"933962"	213.127413	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"268265"	819.554802	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"671505"	1211.847502	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1276252"	427.262102	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"19899"	821.534006	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"460555"	1213.826706	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"835806"	429.241306	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1558565"	429.241306	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"945353"	437.290894	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"364298"	829.583601	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"347449"	843.599251	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1497380"	451.306551	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"961641"	459.272851	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"119299"	427.262102	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"559954"	623.408452	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1028753"	231.115752	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1252706"	471.211585	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1317342"	473.267572	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1331926"	495.249529	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"922619"	505.278286	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1296047"	541.254964	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1372385"	357.280024	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1391704"	375.29	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"289203"	785.592676	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"688552"	1177.885376	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1364539"	393.299976	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"139983"	393.299976	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"580394"	589.446326	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1047245"	197.153626	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"214415"	262.535742666667	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"651061"	393.299976	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1168091"	131.771509333333	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"431366"	802.619223	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"799653"	1194.911923	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1689785"	410.326523	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"344261"	401.8132495	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"737780"	597.9595995	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1492088"	205.6668995	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"405185"	807.574618	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"768365"	1199.867318	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1616341"	415.281918	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"324317"	404.290947	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"715641"	600.437297	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1473835"	208.144597	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1066597"	139.098823333333	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1268757"	425.326186	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"387333"	823.548558	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"747235"	1215.841258	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1548195"	431.255858	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"309746"	412.277917	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"702170"	608.424267	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1458910"	216.131567	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"248970"	826.619226	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1221679"	434.326526	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1206296"	217.666901	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"201347"	829.55656	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"639815"	1221.84926	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1143324"	437.26386	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"182601"	415.281918	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"624351"	611.428268	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1124577"	219.135568	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1407010"	146.426137333333	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1440220"	439.305446	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"231010"	420.31494	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1520529"	453.35749	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"422040"	423.268888	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"776474"	619.415238	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1669522"	227.122538	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"253854"	848.601168	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1227654"	456.308468	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1717635"	456.331993	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1180070"	153.753451333333	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1652878"	461.287388	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"159009"	861.50444	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"600397"	1253.79714	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1096943"	469.21174	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"145011"	431.255858	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"596484"	627.402208	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1077834"	235.109508	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1114084"	471.226292	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1343055"	471.313907	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1011586"	475.353076	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1528621"	476.346708	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"998351"	238.180176	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1589575"	477.261328	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1417419"	507.292838	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1148802"	258.693451	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1698353"	524.319385	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1636191"	529.27478	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1574033"	545.24872	"C02528"	"Chenodeoxycholate;Chenodeoxycholic acid;3alpha7alpha-Dihydroxy-5beta-cholanic acid;Chenodiol"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"814243"	185.0089	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M"	0
"986682"	165.99051	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-H2O-H"	-19.01839
"72737"	122.331990666667	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M-3H"	-3.021828
"516673"	184.001624	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M-3H"	-3.021828
"890103"	60.6623573333333	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-3H"	-3.021828
"11958"	184.001624	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M-2H"	-2.014552
"451517"	276.506074	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M-2H"	-2.014552
"830411"	91.497174	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-2H"	-2.014552
"90406"	369.010524	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M-H"	-1.007276
"529966"	554.019424	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M-H"	-1.007276
"905584"	184.001624	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-H"	-1.007276
"54489"	386.037071	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M-2H+NH4"	16.019271
"495143"	571.045971	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M-2H+NH4"	16.019271
"866509"	201.028171	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-2H+NH4"	16.019271
"33676"	390.992466	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M-2H+Na"	20.974666
"473481"	576.001366	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M-2H+Na"	20.974666
"849699"	205.983566	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-2H+Na"	20.974666
"1619722"	205.983566	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Na-2H"	20.974666
"99902"	201.989963	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M-H+Cl"	33.962126
"540557"	294.494413	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M-H+Cl"	33.962126
"930792"	109.485513	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-H+Cl"	33.962126
"279191"	404.987202	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+Cl"	34.969402
"668332"	589.996102	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+Cl"	34.969402
"1281828"	219.978302	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Cl"	34.969402
"20010"	406.966406	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M-2H+K"	36.948606
"459574"	591.975306	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M-2H+K"	36.948606
"836645"	221.957506	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-2H+K"	36.948606
"1557948"	221.957506	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+K-2H"	36.948606
"949839"	230.007094	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-H+HCOOH"	44.998194
"364409"	415.016001	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+HCOOH-H"	44.998201
"353398"	429.031651	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+Hac-H"	59.013851
"1497856"	244.022751	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Hac-H"	59.013851
"966129"	251.989051	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-H+NaCOOH"	66.980151
"118318"	219.978302	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+2Cl"	69.938804
"556784"	312.482752	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+2Cl"	69.938804
"1032145"	127.473852	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2Cl"	69.938804
"1249535"	263.927785	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Br"	78.918885
"1313078"	265.983772	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Cl+HCOOH"	80.974872
"1326201"	287.965729	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Cl+NaCOOH"	102.956829
"918353"	297.994486	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M-H+CF3COOH"	112.985586
"1293968"	333.971164	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Cl+CF3COOH"	148.962264
"1372129"	149.996224	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H-2H2O"	-35.012676
"1394366"	168.0062	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H-H2O"	-17.0027
"291865"	371.025076	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+H"	1.007276
"686111"	556.033976	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+H"	1.007276
"1359179"	186.016176	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H"	1.007276
"134255"	186.016176	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+2H"	2.014552
"574909"	278.520626	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+2H"	2.014552
"1040789"	93.511726	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2H"	2.014552
"213433"	124.346542666667	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+3H"	3.021828
"646429"	186.016176	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+3H"	3.021828
"1170390"	62.6769093333333	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+3H"	3.021828
"434757"	388.051623	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+NH4"	18.033823
"800128"	573.060523	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+NH4"	18.033823
"1695735"	203.042723	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+NH4"	18.033823
"345104"	194.5294495	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+H+NH4"	19.041099
"734972"	287.0338995	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+H+NH4"	19.041099
"1487710"	102.0249995	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H+NH4"	19.041099
"404201"	393.007018	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+Na"	22.989218
"767383"	578.015918	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+Na"	22.989218
"1612199"	207.998118	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Na"	22.989218
"321142"	197.007147	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+H+Na"	23.996494
"712470"	289.511597	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+H+Na"	23.996494
"1469571"	104.502697	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H+Na"	23.996494
"1060629"	70.0042233333333	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2H+Na"	25.00377
"1264495"	218.042386	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+CH3OH+H"	33.033486
"388537"	408.980958	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+K"	38.963158
"744063"	593.989858	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+K"	38.963158
"1547213"	223.972058	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+K"	38.963158
"309861"	204.994117	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+H+K"	39.970434
"705199"	297.498567	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+H+K"	39.970434
"1460475"	112.489667	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H+K"	39.970434
"249081"	412.051626	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+ACN+H"	42.033826
"1221791"	227.042726	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+ACN+H"	42.033826
"1207494"	114.025001	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+ACN+2H"	43.041102
"201462"	414.98896	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+2Na-H"	44.97116
"641021"	599.99786	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+2Na-H"	44.97116
"1143797"	229.98006	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2Na-H"	44.97116
"185269"	207.998118	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+2Na"	45.978436
"626289"	300.502568	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+2Na"	45.978436
"1124691"	115.493668	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2Na"	45.978436
"1409306"	77.3315373333333	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H+2Na"	46.985712
"1439236"	232.021646	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H+HCOOH"	47.012746
"230023"	213.03114	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+3H2O+2H"	56.04448
"1521002"	246.07369	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+IsoProp+H"	61.06479
"416679"	215.985088	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+Na+K"	61.952376
"777673"	308.489538	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+Na+K"	61.952376
"1671816"	123.480638	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Na+K"	61.952376
"257240"	434.033568	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+ACN+Na"	64.015768
"1232136"	249.024668	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+ACN+Na"	64.015768
"1715554"	249.048193	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+NH4+HCOOH"	64.039293
"1182001"	84.6588513333333	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+3Na"	68.967654
"1654082"	254.003588	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Na+HCOOH"	68.994688
"172650"	446.93684	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+2K-H"	76.91904
"609252"	631.94574	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+2K-H"	76.91904
"1093763"	261.92794	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2K-H"	76.91904
"155939"	223.972058	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"2M+2K"	77.926316
"592340"	316.476508	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"3M+2K"	77.926316
"1080133"	131.467608	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2K"	77.926316
"1113951"	263.942492	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2K+H"	78.933592
"1342076"	264.030107	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+DMSO+H"	79.021207
"1012795"	268.069276	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2ACN+H"	83.060376
"1533107"	269.062908	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+IsoProp+Na+H"	84.054008
"995182"	134.538276	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+2ACN+2H"	84.067652
"1589684"	269.977528	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+K+HCOOH"	84.968628
"1417531"	300.009038	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+H+CF3COOH"	115.000138
"1157659"	155.051551	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+3ACN+2H"	125.094202
"1699558"	317.035585	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+NH4+CF3COOH"	132.026685
"1636306"	321.99098	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+Na+CF3COOH"	136.98208
"1574144"	337.96492	"C02532"	"O-Phospho-D-serine;D-O-Phosphoserine"	"C3H8NO6P"	"185.0089"	"M+K+CF3COOH"	152.95602
"811073"	222.1256	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M"	0
"981324"	203.10721	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H2O-H"	-19.01839
"71753"	147.076457333333	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-3H"	-3.021828
"517755"	221.118324	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-3H"	-3.021828
"888027"	73.0345906666667	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-3H"	-3.021828
"13162"	221.118324	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H"	-2.014552
"452724"	332.181124	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H"	-2.014552
"830523"	110.055524	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H"	-2.014552
"92340"	443.243924	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-H"	-1.007276
"531902"	665.369524	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-H"	-1.007276
"906789"	221.118324	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H"	-1.007276
"57880"	460.270471	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H+NH4"	16.019271
"499625"	682.396071	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H+NH4"	16.019271
"867591"	238.144871	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H+NH4"	16.019271
"36582"	465.225866	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H+Na"	20.974666
"474684"	687.351466	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H+Na"	20.974666
"849935"	243.100266	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H+Na"	20.974666
"1620075"	243.100266	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na-2H"	20.974666
"101105"	239.106663	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-H+Cl"	33.962126
"539572"	350.169463	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-H+Cl"	33.962126
"937462"	128.043863	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+Cl"	33.962126
"279301"	479.220602	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Cl"	34.969402
"671721"	701.346202	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+Cl"	34.969402
"1279750"	257.095002	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl"	34.969402
"22308"	481.199806	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H+K"	36.948606
"465151"	703.325406	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H+K"	36.948606
"839671"	259.074206	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H+K"	36.948606
"1559150"	259.074206	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K-2H"	36.948606
"951042"	267.123794	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+HCOOH"	44.998194
"365613"	489.249401	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+HCOOH-H"	44.998201
"350956"	503.265051	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Hac-H"	59.013851
"1497966"	281.139451	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Hac-H"	59.013851
"967335"	289.105751	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+NaCOOH"	66.980151
"116242"	257.095002	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2Cl"	69.938804
"560174"	368.157802	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2Cl"	69.938804
"1030071"	146.032202	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2Cl"	69.938804
"1252928"	301.044485	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Br"	78.918885
"1313190"	303.100472	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl+HCOOH"	80.974872
"1326311"	325.082429	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl+NaCOOH"	102.956829
"918463"	335.111186	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+CF3COOH"	112.985586
"1296265"	371.087864	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl+CF3COOH"	148.962264
"1374425"	187.112924	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H-2H2O"	-35.012676
"1394476"	205.1229	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H-H2O"	-17.0027
"295255"	445.258476	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H"	1.007276
"685857"	667.384076	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H"	1.007276
"1359289"	223.132876	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H"	1.007276
"134001"	223.132876	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2H"	2.014552
"576479"	334.195676	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2H"	2.014552
"1049651"	112.070076	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2H"	2.014552
"216457"	149.091009333333	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+3H"	3.021828
"651276"	223.132876	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+3H"	3.021828
"1170497"	75.0491426666667	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+3H"	3.021828
"431584"	462.285023	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+NH4"	18.033823
"799387"	684.410623	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+NH4"	18.033823
"1692193"	240.159423	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+NH4"	18.033823
"344486"	231.6461495	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H+NH4"	19.041099
"735082"	342.7089495	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H+NH4"	19.041099
"1487820"	120.5833495	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+NH4"	19.041099
"404314"	467.240418	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Na"	22.989218
"768467"	689.366018	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+Na"	22.989218
"1614499"	245.114818	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na"	22.989218
"323440"	234.123847	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H+Na"	23.996494
"715860"	345.186647	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H+Na"	23.996494
"1471869"	123.061047	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+Na"	23.996494
"1066207"	82.3764566666667	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2H+Na"	25.00377
"1268979"	255.159086	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+CH3OH+H"	33.033486
"392133"	483.214358	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+K"	38.963158
"748550"	705.339958	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+K"	38.963158
"1549510"	261.088758	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K"	38.963158
"309971"	242.110817	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H+K"	39.970434
"705673"	353.173617	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H+K"	39.970434
"1461277"	131.048017	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+K"	39.970434
"250891"	486.285026	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+ACN+H"	42.033826
"1224696"	264.159426	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+ACN+H"	42.033826
"1207606"	132.583351	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+ACN+2H"	43.041102
"203031"	489.22236	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2Na-H"	44.97116
"643689"	711.34796	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2Na-H"	44.97116
"1146463"	267.09676	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2Na-H"	44.97116
"187566"	245.114818	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2Na"	45.978436
"627857"	356.177618	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2Na"	45.978436
"1126988"	134.052018	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2Na"	45.978436
"1413062"	89.7037706666667	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+2Na"	46.985712
"1442625"	269.138346	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+HCOOH"	47.012746
"232321"	250.14784	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+3H2O+2H"	56.04448
"1522936"	283.19039	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+IsoProp+H"	61.06479
"418976"	253.101788	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Na+K"	61.952376
"781063"	364.164588	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+Na+K"	61.952376
"1675205"	142.038988	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na+K"	61.952376
"258447"	508.266968	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+ACN+Na"	64.015768
"1235528"	286.141368	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+ACN+Na"	64.015768
"1722226"	286.164893	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+NH4+HCOOH"	64.039293
"1186488"	97.0310846666667	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+3Na"	68.967654
"1658566"	291.120288	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na+HCOOH"	68.994688
"169802"	521.17024	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2K-H"	76.91904
"610456"	743.29584	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2K-H"	76.91904
"1085363"	299.04464	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2K-H"	76.91904
"147409"	261.088758	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2K"	77.926316
"591354"	372.151558	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2K"	77.926316
"1073678"	150.025958	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2K"	77.926316
"1109075"	301.059192	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2K+H"	78.933592
"1345461"	301.146807	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+DMSO+H"	79.021207
"1015085"	305.185976	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2ACN+H"	83.060376
"1529931"	306.179608	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+IsoProp+Na+H"	84.054008
"995288"	153.096626	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2ACN+2H"	84.067652
"1601821"	307.094228	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K+HCOOH"	84.968628
"1420921"	337.125738	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+CF3COOH"	115.000138
"1150115"	173.609901	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+3ACN+2H"	125.094202
"1699668"	354.152285	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+NH4+CF3COOH"	132.026685
"1637509"	359.10768	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na+CF3COOH"	136.98208
"1571497"	375.08162	"C02533"	"Dehydrovomifoliol;(6S)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K+CF3COOH"	152.95602
"813370"	109.9635	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M"	0
"987996"	90.94511	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-H2O-H"	-19.01839
"72963"	72.301724	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M-3H"	-3.021828
"513617"	108.956224	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M-3H"	-3.021828
"893604"	35.647224	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-3H"	-3.021828
"15641"	108.956224	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M-2H"	-2.014552
"455509"	163.937974	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M-2H"	-2.014552
"832458"	53.974474	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-2H"	-2.014552
"91721"	218.919724	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M-H"	-1.007276
"529095"	328.883224	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M-H"	-1.007276
"904709"	108.956224	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-H"	-1.007276
"49246"	235.946271	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M-2H+NH4"	16.019271
"490993"	345.909771	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M-2H+NH4"	16.019271
"872076"	125.982771	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-2H+NH4"	16.019271
"35598"	240.901666	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M-2H+Na"	20.974666
"472974"	350.865166	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M-2H+Na"	20.974666
"849316"	130.938166	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-2H+Na"	20.974666
"1624688"	130.938166	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Na-2H"	20.974666
"104501"	126.944563	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M-H+Cl"	33.962126
"542969"	181.926313	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M-H+Cl"	33.962126
"939399"	71.962813	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-H+Cl"	33.962126
"275041"	254.896402	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+Cl"	34.969402
"666367"	364.859902	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+Cl"	34.969402
"1280960"	144.932902	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Cl"	34.969402
"20601"	256.875606	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M-2H+K"	36.948606
"464170"	366.839106	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M-2H+K"	36.948606
"837234"	146.912106	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-2H+K"	36.948606
"1559264"	146.912106	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+K-2H"	36.948606
"944959"	154.961694	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-H+HCOOH"	44.998194
"365725"	264.925201	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+HCOOH-H"	44.998201
"350703"	278.940851	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+Hac-H"	59.013851
"1500998"	168.977351	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Hac-H"	59.013851
"964165"	176.943651	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-H+NaCOOH"	66.980151
"116352"	144.932902	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+2Cl"	69.938804
"558101"	199.914652	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+2Cl"	69.938804
"1031274"	89.951152	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2Cl"	69.938804
"1248663"	188.882385	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Br"	78.918885
"1314392"	190.938372	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Cl+HCOOH"	80.974872
"1329702"	212.920329	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Cl+NaCOOH"	102.956829
"921855"	222.949086	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M-H+CF3COOH"	112.985586
"1303301"	258.925764	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Cl+CF3COOH"	148.962264
"1378549"	74.950824	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H-2H2O"	-35.012676
"1395319"	92.9608	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H-H2O"	-17.0027
"292816"	220.934276	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+H"	1.007276
"686333"	330.897776	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+H"	1.007276
"1359401"	110.970776	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H"	1.007276
"140309"	110.970776	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+2H"	2.014552
"574765"	165.952526	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+2H"	2.014552
"1049033"	55.989026	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2H"	2.014552
"217297"	74.316276	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+3H"	3.021828
"652484"	110.970776	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+3H"	3.021828
"1176446"	37.661776	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+3H"	3.021828
"437169"	237.960823	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+NH4"	18.033823
"800597"	347.924323	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+NH4"	18.033823
"1692310"	127.997323	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+NH4"	18.033823
"340588"	119.4840495	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+H+NH4"	19.041099
"737026"	174.4657995	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+H+NH4"	19.041099
"1491209"	64.5022995	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H+NH4"	19.041099
"403329"	242.916218	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+Na"	22.989218
"764324"	352.879718	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+Na"	22.989218
"1612422"	132.952718	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Na"	22.989218
"325737"	121.961747	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+H+Na"	23.996494
"719251"	176.943497	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+H+Na"	23.996494
"1474896"	66.979997	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H+Na"	23.996494
"1066321"	44.98909	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2H+Na"	25.00377
"1270551"	142.996986	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+CH3OH+H"	33.033486
"389855"	258.890158	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+K"	38.963158
"750852"	368.853658	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+K"	38.963158
"1548534"	148.926658	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+K"	38.963158
"308992"	129.948717	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+H+K"	39.970434
"703600"	184.930467	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+H+K"	39.970434
"1457420"	74.966967	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H+K"	39.970434
"248209"	261.960826	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+ACN+H"	42.033826
"1223471"	151.997326	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+ACN+H"	42.033826
"1207355"	76.502301	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+ACN+2H"	43.041102
"202777"	264.89816	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+2Na-H"	44.97116
"643434"	374.86166	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+2Na-H"	44.97116
"1146457"	154.93466	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2Na-H"	44.97116
"187802"	132.952718	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+2Na"	45.978436
"627968"	187.934468	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+2Na"	45.978436
"1128919"	77.970968	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2Na"	45.978436
"1404061"	52.316404	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H+2Na"	46.985712
"1439457"	156.976246	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H+HCOOH"	47.012746
"234944"	137.98574	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+3H2O+2H"	56.04448
"1515027"	171.02829	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+IsoProp+H"	61.06479
"419085"	140.939688	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+Na+K"	61.952376
"778986"	195.921438	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+Na+K"	61.952376
"1674224"	85.957938	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Na+K"	61.952376
"260744"	283.942768	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+ACN+Na"	64.015768
"1237827"	173.979268	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+ACN+Na"	64.015768
"1721245"	174.002793	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+NH4+HCOOH"	64.039293
"1186597"	59.643718	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+3Na"	68.967654
"1655399"	178.958188	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Na+HCOOH"	68.994688
"164444"	296.84604	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+2K-H"	76.91904
"602912"	406.80954	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+2K-H"	76.91904
"1093992"	186.88254	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2K-H"	76.91904
"155561"	148.926658	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"2M+2K"	77.926316
"596653"	203.908408	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"3M+2K"	77.926316
"1080351"	93.944908	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2K"	77.926316
"1109187"	188.897092	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2K+H"	78.933592
"1346665"	188.984707	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+DMSO+H"	79.021207
"1013009"	193.023876	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2ACN+H"	83.060376
"1538551"	194.017508	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+IsoProp+Na+H"	84.054008
"998681"	97.015576	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+2ACN+2H"	84.067652
"1595371"	194.932128	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+K+HCOOH"	84.968628
"1424311"	224.963638	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+H+CF3COOH"	115.000138
"1153505"	117.528851	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+3ACN+2H"	125.094202
"1708524"	241.990185	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+NH4+CF3COOH"	132.026685
"1643082"	246.94558	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+Na+CF3COOH"	136.98208
"1584206"	262.91952	"C02535"	"Dimethyl selenide"	"C2H6Se"	"109.9635"	"M+K+CF3COOH"	152.95602
"815553"	272.1776	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M"	0
"987019"	253.15921	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-H2O-H"	-19.01839
"74169"	180.444457333333	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M-3H"	-3.021828
"511540"	271.170324	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M-3H"	-3.021828
"886060"	89.7185906666667	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-3H"	-3.021828
"9014"	271.170324	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H"	-2.014552
"452584"	407.259124	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H"	-2.014552
"826376"	135.081524	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-2H"	-2.014552
"81996"	543.347924	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M-H"	-1.007276
"520462"	815.525524	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M-H"	-1.007276
"899355"	271.170324	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-H"	-1.007276
"48139"	560.374471	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+NH4"	16.019271
"490009"	832.552071	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+NH4"	16.019271
"864527"	288.196871	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+NH4"	16.019271
"35717"	565.329866	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+Na"	20.974666
"477467"	837.507466	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+Na"	20.974666
"858553"	293.152266	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+Na"	20.974666
"1628084"	293.152266	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Na-2H"	20.974666
"105344"	289.158663	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M-H+Cl"	33.962126
"541987"	425.247463	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M-H+Cl"	33.962126
"932221"	153.069863	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-H+Cl"	33.962126
"270050"	579.324602	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+Cl"	34.969402
"667577"	851.502202	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+Cl"	34.969402
"1277790"	307.147002	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl"	34.969402
"17429"	581.303806	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+K"	36.948606
"457354"	853.481406	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+K"	36.948606
"838804"	309.126206	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+K"	36.948606
"1564483"	309.126206	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+K-2H"	36.948606
"949085"	317.175794	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-H+HCOOH"	44.998194
"366206"	589.353401	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+HCOOH-H"	44.998201
"351183"	603.369051	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+Hac-H"	59.013851
"1497827"	331.191451	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Hac-H"	59.013851
"962089"	339.157751	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-H+NaCOOH"	66.980151
"114277"	307.147002	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Cl"	69.938804
"553834"	443.235802	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Cl"	69.938804
"1025917"	171.058202	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2Cl"	69.938804
"1247684"	351.096485	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Br"	78.918885
"1308672"	353.152472	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+HCOOH"	80.974872
"1323981"	375.134429	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+NaCOOH"	102.956829
"915041"	385.163186	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M-H+CF3COOH"	112.985586
"1294301"	421.139864	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+CF3COOH"	148.962264
"1370277"	237.164924	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H-2H2O"	-35.012676
"1388868"	255.1749	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H-H2O"	-17.0027
"289647"	545.362476	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+H"	1.007276
"686443"	817.540076	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+H"	1.007276
"1363522"	273.184876	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H"	1.007276
"140300"	273.184876	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+2H"	2.014552
"575240"	409.273676	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+2H"	2.014552
"1050605"	137.096076	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2H"	2.014552
"218507"	182.459009333333	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+3H"	3.021828
"659161"	273.184876	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+3H"	3.021828
"1175829"	91.7331426666667	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+3H"	3.021828
"439560"	562.389023	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+NH4"	18.033823
"800471"	834.566623	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+NH4"	18.033823
"1696564"	290.211423	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4"	18.033823
"337427"	281.6981495	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+NH4"	19.041099
"733129"	417.7869495	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+NH4"	19.041099
"1489134"	145.6093495	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H+NH4"	19.041099
"406355"	567.344418	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+Na"	22.989218
"766620"	839.522018	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+Na"	22.989218
"1612533"	295.166818	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Na"	22.989218
"325851"	284.175847	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+Na"	23.996494
"719368"	420.264647	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+Na"	23.996494
"1467721"	148.087047	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H+Na"	23.996494
"1059873"	99.0604566666667	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2H+Na"	25.00377
"1264836"	305.211086	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+CH3OH+H"	33.033486
"383410"	583.318358	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+K"	38.963158
"745499"	855.495958	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+K"	38.963158
"1550833"	311.140758	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+K"	38.963158
"312384"	292.162817	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+K"	39.970434
"705902"	428.251617	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+K"	39.970434
"1460935"	156.074017	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H+K"	39.970434
"251118"	586.389026	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+ACN+H"	42.033826
"1223952"	314.211426	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+H"	42.033826
"1208929"	157.609351	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+2H"	43.041102
"203258"	589.32636	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Na-H"	44.97116
"642087"	861.50396	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Na-H"	44.97116
"1145352"	317.14876	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2Na-H"	44.97116
"184138"	295.166818	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Na"	45.978436
"622605"	431.255618	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Na"	45.978436
"1126109"	159.078018	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2Na"	45.978436
"1406354"	106.387770666667	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H+2Na"	46.985712
"1441751"	319.190346	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H+HCOOH"	47.012746
"234366"	300.19984	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+3H2O+2H"	56.04448
"1518418"	333.24239	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+H"	61.06479
"422843"	303.153788	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+Na+K"	61.952376
"780192"	439.242588	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+Na+K"	61.952376
"1679075"	167.064988	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+K"	61.952376
"258670"	608.370968	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+ACN+Na"	64.015768
"1230649"	336.193368	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+Na"	64.015768
"1719172"	336.216893	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4+HCOOH"	64.039293
"1194120"	113.715084666667	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+3Na"	68.967654
"1665211"	341.172288	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+HCOOH"	68.994688
"172760"	621.27424	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+2K-H"	76.91904
"611418"	893.45184	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+2K-H"	76.91904
"1096295"	349.09664	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2K-H"	76.91904
"156270"	311.140758	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"2M+2K"	77.926316
"593764"	447.229558	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"3M+2K"	77.926316
"1080468"	175.051958	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2K"	77.926316
"1112587"	351.111192	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2K+H"	78.933592
"1344601"	351.198807	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+DMSO+H"	79.021207
"1016411"	355.237976	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2ACN+H"	83.060376
"1531256"	356.231608	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+Na+H"	84.054008
"1002076"	178.122626	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+2ACN+2H"	84.067652
"1597672"	357.146228	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+K+HCOOH"	84.968628
"1422238"	387.177738	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+H+CF3COOH"	115.000138
"1150342"	198.635901	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+3ACN+2H"	125.094202
"1697339"	404.204285	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4+CF3COOH"	132.026685
"1647573"	409.15968	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+CF3COOH"	136.98208
"1581036"	425.13362	"C02537"	"Estradiol-17alpha;17alpha-Estradiol"	"C18H24O2"	"272.1776"	"M+K+CF3COOH"	152.95602
"804843"	350.1188	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M"	0
"988096"	331.10041	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-H2O-H"	-19.01839
"70995"	232.405257333333	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M-3H"	-3.021828
"511648"	349.111524	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M-3H"	-3.021828
"890542"	115.698990666667	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-3H"	-3.021828
"9117"	349.111524	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M-2H"	-2.014552
"444309"	524.170924	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M-2H"	-2.014552
"822109"	174.052124	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-2H"	-2.014552
"84287"	699.230324	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M-H"	-1.007276
"521662"	1049.349124	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M-H"	-1.007276
"897279"	349.111524	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-H"	-1.007276
"51653"	716.256871	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M-2H+NH4"	16.019271
"490120"	1066.375671	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M-2H+NH4"	16.019271
"870107"	366.138071	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-2H+NH4"	16.019271
"35824"	721.212266	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M-2H+Na"	20.974666
"478665"	1071.331066	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M-2H+Na"	20.974666
"849177"	371.093466	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-2H+Na"	20.974666
"1623817"	371.093466	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Na-2H"	20.974666
"99253"	367.099863	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M-H+Cl"	33.962126
"539906"	542.159263	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M-H+Cl"	33.962126
"933420"	192.040463	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-H+Cl"	33.962126
"276351"	735.207002	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+Cl"	34.969402
"667687"	1085.325802	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+Cl"	34.969402
"1277900"	385.088202	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Cl"	34.969402
"18633"	737.186206	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M-2H+K"	36.948606
"458193"	1087.305006	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M-2H+K"	36.948606
"837456"	387.067406	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-2H+K"	36.948606
"1564593"	387.067406	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+K-2H"	36.948606
"947008"	395.116994	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-H+HCOOH"	44.998194
"366317"	745.235801	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+HCOOH-H"	44.998201
"351293"	759.251451	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+Hac-H"	59.013851
"1497937"	409.132651	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Hac-H"	59.013851
"964386"	417.098951	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-H+NaCOOH"	66.980151
"113294"	385.088202	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+2Cl"	69.938804
"554311"	560.147602	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+2Cl"	69.938804
"1029307"	210.028802	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2Cl"	69.938804
"1243783"	429.037685	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Br"	78.918885
"1308782"	431.093672	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Cl+HCOOH"	80.974872
"1324821"	453.075629	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Cl+NaCOOH"	102.956829
"917704"	463.104386	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M-H+CF3COOH"	112.985586
"1294412"	499.081064	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Cl+CF3COOH"	148.962264
"1375853"	315.106124	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H-2H2O"	-35.012676
"1388978"	333.1161	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H-H2O"	-17.0027
"289757"	701.244876	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+H"	1.007276
"683272"	1051.363676	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+H"	1.007276
"1362902"	351.126076	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H"	1.007276
"137977"	351.126076	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+2H"	2.014552
"573163"	526.185476	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+2H"	2.014552
"1050713"	176.066676	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2H"	2.014552
"217521"	234.419809333333	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+3H"	3.021828
"657086"	351.126076	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+3H"	3.021828
"1174118"	117.713542666667	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+3H"	3.021828
"438488"	718.271423	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+NH4"	18.033823
"799486"	1068.390223	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+NH4"	18.033823
"1694361"	368.152623	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+NH4"	18.033823
"341910"	359.6393495	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+H+NH4"	19.041099
"733236"	534.6987495	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+H+NH4"	19.041099
"1487058"	184.5799495	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H+NH4"	19.041099
"405736"	723.226818	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+Na"	22.989218
"765637"	1073.345618	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+Na"	22.989218
"1614830"	373.108018	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Na"	22.989218
"324867"	362.117047	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+H+Na"	23.996494
"718384"	537.176447	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+H+Na"	23.996494
"1468925"	187.057647	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H+Na"	23.996494
"1062170"	125.040856666667	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2H+Na"	25.00377
"1262759"	383.152286	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+CH3OH+H"	33.033486
"382427"	739.200758	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+K"	38.963158
"747796"	1089.319558	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+K"	38.963158
"1550942"	389.081958	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+K"	38.963158
"311400"	370.104017	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+H+K"	39.970434
"704916"	545.163417	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+H+K"	39.970434
"1459104"	195.044617	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H+K"	39.970434
"249159"	742.271426	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+ACN+H"	42.033826
"1223941"	392.152626	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+ACN+H"	42.033826
"1208793"	196.579951	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+ACN+2H"	43.041102
"203126"	745.20876	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+2Na-H"	44.97116
"642199"	1095.32756	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+2Na-H"	44.97116
"1145099"	395.08996	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2Na-H"	44.97116
"183157"	373.108018	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+2Na"	45.978436
"621625"	548.167418	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+2Na"	45.978436
"1124033"	198.048618	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2Na"	45.978436
"1406464"	132.368170666667	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H+2Na"	46.985712
"1441861"	397.131546	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H+HCOOH"	47.012746
"233747"	378.14104	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+3H2O+2H"	56.04448
"1516341"	411.18359	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+IsoProp+H"	61.06479
"421859"	381.094988	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+Na+K"	61.952376
"782126"	556.154388	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+Na+K"	61.952376
"1679186"	206.035588	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Na+K"	61.952376
"260603"	764.253368	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+ACN+Na"	64.015768
"1231489"	414.134568	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+ACN+Na"	64.015768
"1719282"	414.158093	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+NH4+HCOOH"	64.039293
"1192914"	139.695484666667	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+3Na"	68.967654
"1663657"	419.113488	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Na+HCOOH"	68.994688
"170884"	777.15664	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+2K-H"	76.91904
"612258"	1127.27544	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+2K-H"	76.91904
"1097497"	427.03784	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2K-H"	76.91904
"156503"	389.081958	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"2M+2K"	77.926316
"596672"	564.141358	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"3M+2K"	77.926316
"1081672"	214.022558	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2K"	77.926316
"1112334"	429.052392	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2K+H"	78.933592
"1345805"	429.140007	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+DMSO+H"	79.021207
"1015428"	433.179176	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2ACN+H"	83.060376
"1536106"	434.172808	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+IsoProp+Na+H"	84.054008
"1002188"	217.093226	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+2ACN+2H"	84.067652
"1595596"	435.087428	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+K+HCOOH"	84.968628
"1422349"	465.118938	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+H+CF3COOH"	115.000138
"1153732"	237.606501	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+3ACN+2H"	125.094202
"1697086"	482.145485	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+NH4+CF3COOH"	132.026685
"1642215"	487.10088	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+Na+CF3COOH"	136.98208
"1578959"	503.07482	"C02538"	"Estrone 3-sulfate"	"C18H22O5S"	"350.1188"	"M+K+CF3COOH"	152.95602
"814797"	522.1355	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M"	0
"988332"	503.11711	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-H2O-H"	-19.01839
"75481"	347.083057333333	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M-3H"	-3.021828
"516134"	521.128224	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M-3H"	-3.021828
"892843"	173.037890666667	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-3H"	-3.021828
"14697"	521.128224	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M-2H"	-2.014552
"446606"	782.195974	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M-2H"	-2.014552
"827687"	260.060474	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-2H"	-2.014552
"85491"	1043.263724	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M-H"	-1.007276
"523961"	1565.399224	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M-H"	-1.007276
"901762"	521.128224	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-H"	-1.007276
"52857"	1060.290271	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M-2H+NH4"	16.019271
"493511"	1582.425771	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M-2H+NH4"	16.019271
"868032"	538.154771	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-2H+NH4"	16.019271
"38121"	1065.245666	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M-2H+Na"	20.974666
"478775"	1587.381166	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M-2H+Na"	20.974666
"854391"	543.110166	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-2H+Na"	20.974666
"1627937"	543.110166	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Na-2H"	20.974666
"103737"	539.116563	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M-H+Cl"	33.962126
"543296"	800.184313	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M-H+Cl"	33.962126
"937177"	278.048813	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-H+Cl"	33.962126
"276826"	1079.240402	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+Cl"	34.969402
"668890"	1601.375902	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+Cl"	34.969402
"1280927"	557.104902	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Cl"	34.969402
"22024"	1081.219606	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M-2H+K"	36.948606
"463042"	1603.355106	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M-2H+K"	36.948606
"837932"	559.084106	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-2H+K"	36.948606
"1562516"	559.084106	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+K-2H"	36.948606
"948212"	567.133694	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-H+HCOOH"	44.998194
"366427"	1089.269201	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+HCOOH-H"	44.998201
"354319"	1103.284851	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+Hac-H"	59.013851
"1499142"	581.149351	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Hac-H"	59.013851
"965589"	589.115651	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-H+NaCOOH"	66.980151
"119600"	557.104902	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+2Cl"	69.938804
"555878"	818.172652	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+2Cl"	69.938804
"1026135"	296.037152	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2Cl"	69.938804
"1246442"	601.054385	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Br"	78.918885
"1307069"	603.110372	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Cl+HCOOH"	80.974872
"1323838"	625.092329	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Cl+NaCOOH"	102.956829
"918907"	635.121086	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M-H+CF3COOH"	112.985586
"1294521"	671.097764	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Cl+CF3COOH"	148.962264
"1373411"	487.122824	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H-2H2O"	-35.012676
"1389086"	505.1328	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H-H2O"	-17.0027
"288043"	1045.278276	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+H"	1.007276
"688851"	1567.413776	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+H"	1.007276
"1364110"	523.142776	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H"	1.007276
"140280"	523.142776	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+2H"	2.014552
"580813"	784.210526	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+2H"	2.014552
"1051799"	262.075026	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2H"	2.014552
"218725"	349.097609333333	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+3H"	3.021828
"659468"	523.142776	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+3H"	3.021828
"1174229"	175.052442666667	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+3H"	3.021828
"438964"	1062.304823	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+NH4"	18.033823
"798503"	1584.440323	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+NH4"	18.033823
"1693378"	540.169323	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+NH4"	18.033823
"341655"	531.6560495	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+H+NH4"	19.041099
"736991"	792.7237995	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+H+NH4"	19.041099
"1489354"	270.5882995	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H+NH4"	19.041099
"406454"	1067.260218	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+Na"	22.989218
"764657"	1589.395718	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+Na"	22.989218
"1613847"	545.124718	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Na"	22.989218
"322790"	534.133747	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+H+Na"	23.996494
"716305"	795.201497	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+H+Na"	23.996494
"1466849"	273.065997	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H+Na"	23.996494
"1061190"	182.379756666667	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2H+Na"	25.00377
"1265056"	555.168986	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+CH3OH+H"	33.033486
"383631"	1083.234158	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+K"	38.963158
"749000"	1605.369658	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+K"	38.963158
"1549960"	561.098658	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+K"	38.963158
"308231"	542.120717	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+H+K"	39.970434
"704663"	803.188467	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+H+K"	39.970434
"1459576"	281.052967	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H+K"	39.970434
"249273"	1086.304826	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+ACN+H"	42.033826
"1224897"	564.169326	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+ACN+H"	42.033826
"1208051"	282.588301	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+ACN+2H"	43.041102
"200921"	1089.24216	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+2Na-H"	44.97116
"642919"	1611.37766	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+2Na-H"	44.97116
"1144847"	567.10666	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2Na-H"	44.97116
"184724"	545.124718	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+2Na"	45.978436
"622827"	806.192468	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+2Na"	45.978436
"1128520"	284.056968	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2Na"	45.978436
"1412044"	189.707070666667	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H+2Na"	46.985712
"1441608"	569.148246	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H+HCOOH"	47.012746
"232399"	550.15774	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+3H2O+2H"	56.04448
"1519003"	583.20029	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+IsoProp+H"	61.06479
"423064"	553.111688	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+Na+K"	61.952376
"784059"	814.179438	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+Na+K"	61.952376
"1680754"	292.043938	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Na+K"	61.952376
"261442"	1108.286768	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+ACN+Na"	64.015768
"1237431"	586.151268	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+ACN+Na"	64.015768
"1725224"	586.174793	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+NH4+HCOOH"	64.039293
"1192054"	197.034384666667	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+3Na"	68.967654
"1663040"	591.130188	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Na+HCOOH"	68.994688
"170631"	1121.19004	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+2K-H"	76.91904
"610913"	1643.32554	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+2K-H"	76.91904
"1097854"	599.05454	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2K-H"	76.91904
"155283"	561.098658	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"2M+2K"	77.926316
"595934"	822.166408	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"3M+2K"	77.926316
"1077778"	300.030908	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2K"	77.926316
"1108439"	601.069092	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2K+H"	78.933592
"1344458"	601.156707	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+DMSO+H"	79.021207
"1013351"	605.195876	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2ACN+H"	83.060376
"1532570"	606.189508	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+IsoProp+Na+H"	84.054008
"1000842"	303.101576	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+2ACN+2H"	84.067652
"1595708"	607.104128	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+K+HCOOH"	84.968628
"1426830"	637.135638	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+H+CF3COOH"	115.000138
"1154933"	323.614851	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+3ACN+2H"	125.094202
"1699017"	654.162185	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+NH4+CF3COOH"	132.026685
"1636128"	659.11758	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+Na+CF3COOH"	136.98208
"1573600"	675.09152	"C02539"	"Fenoprofen calcium"	"(C15H13O3)2Ca"	"522.1355"	"M+K+CF3COOH"	152.95602
"811625"	169.9885	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M"	0
"988808"	150.97011	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-H2O-H"	-19.01839
"77776"	112.318390666667	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M-3H"	-3.021828
"515151"	168.981224	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M-3H"	-3.021828
"893682"	55.6555573333333	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-3H"	-3.021828
"11526"	168.981224	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M-2H"	-2.014552
"452183"	253.975474	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M-2H"	-2.014552
"827798"	83.986974	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-2H"	-2.014552
"86696"	338.969724	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M-H"	-1.007276
"528446"	508.958224	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M-H"	-1.007276
"901872"	168.981224	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-H"	-1.007276
"56247"	355.996271	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M-2H+NH4"	16.019271
"490343"	525.984771	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M-2H+NH4"	16.019271
"871425"	186.007771	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-2H+NH4"	16.019271
"38231"	360.951666	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M-2H+Na"	20.974666
"478885"	530.940166	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M-2H+Na"	20.974666
"853408"	190.963166	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-2H+Na"	20.974666
"1625131"	190.963166	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Na-2H"	20.974666
"101660"	186.969563	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M-H+Cl"	33.962126
"543406"	271.963813	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M-H+Cl"	33.962126
"936922"	101.975313	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-H+Cl"	33.962126
"277667"	374.946402	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+Cl"	34.969402
"670093"	544.934902	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+Cl"	34.969402
"1280309"	204.957902	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Cl"	34.969402
"23958"	376.925606	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M-2H+K"	36.948606
"464612"	546.914106	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M-2H+K"	36.948606
"838769"	206.937106	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-2H+K"	36.948606
"1563719"	206.937106	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+K-2H"	36.948606
"950509"	214.986694	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-H+HCOOH"	44.998194
"372369"	384.975201	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+HCOOH-H"	44.998201
"354794"	398.990851	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+Hac-H"	59.013851
"1500347"	229.002351	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Hac-H"	59.013851
"965699"	236.968651	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-H+NaCOOH"	66.980151
"119710"	204.957902	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+2Cl"	69.938804
"556353"	289.952152	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+2Cl"	69.938804
"1024788"	119.963652	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2Cl"	69.938804
"1246189"	248.907385	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Br"	78.918885
"1308274"	250.963372	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Cl+HCOOH"	80.974872
"1324678"	272.945329	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Cl+NaCOOH"	102.956829
"919018"	282.974086	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M-H+CF3COOH"	112.985586
"1293538"	318.950764	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Cl+CF3COOH"	148.962264
"1372793"	134.975824	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H-2H2O"	-35.012676
"1389197"	152.9858	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H-H2O"	-17.0027
"292891"	340.984276	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+H"	1.007276
"687868"	510.972776	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+H"	1.007276
"1363127"	170.995776	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H"	1.007276
"139298"	170.995776	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+2H"	2.014552
"580921"	255.990026	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+2H"	2.014552
"1052030"	86.001526	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2H"	2.014552
"219564"	114.332942666667	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+3H"	3.021828
"659496"	170.995776	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+3H"	3.021828
"1175433"	57.6701093333333	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+3H"	3.021828
"436156"	358.010823	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+NH4"	18.033823
"798616"	527.999323	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+NH4"	18.033823
"1693852"	188.022323	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+NH4"	18.033823
"341037"	179.5090495	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+H+NH4"	19.041099
"733821"	264.5032995	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+H+NH4"	19.041099
"1490197"	94.5147995	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H+NH4"	19.041099
"405957"	362.966218	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+Na"	22.989218
"764767"	532.954718	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+Na"	22.989218
"1612864"	192.977718	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Na"	22.989218
"326911"	181.986747	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+H+Na"	23.996494
"715326"	266.980997	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+H+Na"	23.996494
"1468054"	96.992497	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H+Na"	23.996494
"1062391"	64.9974233333333	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2H+Na"	25.00377
"1267351"	203.021986	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+CH3OH+H"	33.033486
"389207"	378.940158	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+K"	38.963158
"751298"	548.928658	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+K"	38.963158
"1554690"	208.951658	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+K"	38.963158
"313079"	189.973717	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+H+K"	39.970434
"706228"	274.967967	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+H+K"	39.970434
"1460055"	104.979467	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H+K"	39.970434
"250114"	382.010826	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+ACN+H"	42.033826
"1224407"	212.022326	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+ACN+H"	42.033826
"1209776"	106.514801	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+ACN+2H"	43.041102
"203829"	384.94816	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+2Na-H"	44.97116
"643272"	554.93666	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+2Na-H"	44.97116
"1145443"	214.95966	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2Na-H"	44.97116
"182286"	192.977718	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+2Na"	45.978436
"621847"	277.971968	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+2Na"	45.978436
"1126443"	107.983468	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2Na"	45.978436
"1408875"	72.3247373333333	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H+2Na"	46.985712
"1442449"	217.001246	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H+HCOOH"	47.012746
"230687"	198.01074	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+3H2O+2H"	56.04448
"1519841"	231.05329	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+IsoProp+H"	61.06479
"421716"	200.964688	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+Na+K"	61.952376
"784658"	285.958938	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+Na+K"	61.952376
"1679894"	115.970438	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Na+K"	61.952376
"264468"	403.992768	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+ACN+Na"	64.015768
"1239000"	234.004268	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+ACN+Na"	64.015768
"1726792"	234.027793	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+NH4+HCOOH"	64.039293
"1192527"	79.6520513333333	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+3Na"	68.967654
"1663151"	238.983188	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Na+HCOOH"	68.994688
"171834"	416.89604	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+2K-H"	76.91904
"611025"	586.88454	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+2K-H"	76.91904
"1099301"	246.90754	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2K-H"	76.91904
"156119"	208.951658	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"2M+2K"	77.926316
"596853"	293.945908	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"3M+2K"	77.926316
"1080437"	123.957408	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2K"	77.926316
"1111827"	248.922092	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2K+H"	78.933592
"1344932"	249.009707	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+DMSO+H"	79.021207
"1014554"	253.048876	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2ACN+H"	83.060376
"1533769"	254.042508	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+IsoProp+Na+H"	84.054008
"1002404"	127.028076	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+2ACN+2H"	84.067652
"1598003"	254.957128	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+K+HCOOH"	84.968628
"1423660"	284.988638	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+H+CF3COOH"	115.000138
"1157228"	147.541351	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+3ACN+2H"	125.094202
"1699491"	302.015185	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+NH4+CF3COOH"	132.026685
"1635874"	306.97058	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+Na+CF3COOH"	136.98208
"1573710"	322.94452	"C02543"	"Glycerone sulfate;Dihydroxyacetone sulfate"	"C3H6O6S"	"169.9885"	"M+K+CF3COOH"	152.95602
"816846"	160.1	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M"	0
"989244"	141.08161	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H2O-H"	-19.01839
"74608"	105.726057333333	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-3H"	-3.021828
"516355"	159.092724	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-3H"	-3.021828
"894891"	52.3593906666667	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-3H"	-3.021828
"10547"	159.092724	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H"	-2.014552
"447920"	239.142724	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H"	-2.014552
"829004"	79.042724	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H"	-2.014552
"81340"	319.192724	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-H"	-1.007276
"521990"	479.292724	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-H"	-1.007276
"899793"	159.092724	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H"	-1.007276
"51984"	336.219271	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H+NH4"	16.019271
"489357"	496.319271	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H+NH4"	16.019271
"866185"	176.119271	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H+NH4"	16.019271
"38343"	341.174666	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H+Na"	20.974666
"478998"	501.274666	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H+Na"	20.974666
"862997"	181.074666	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H+Na"	20.974666
"1630707"	181.074666	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na-2H"	20.974666
"101768"	177.081063	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-H+Cl"	33.962126
"545702"	257.131063	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-H+Cl"	33.962126
"934842"	97.031063	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+Cl"	33.962126
"277782"	355.169402	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Cl"	34.969402
"671298"	515.269402	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+Cl"	34.969402
"1279327"	195.069402	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl"	34.969402
"30634"	357.148606	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M-2H+K"	36.948606
"462540"	517.248606	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M-2H+K"	36.948606
"840342"	197.048606	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-2H+K"	36.948606
"1562735"	197.048606	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K-2H"	36.948606
"950619"	205.098194	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+HCOOH"	44.998194
"367740"	365.198201	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+HCOOH-H"	44.998201
"354904"	379.213851	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Hac-H"	59.013851
"1501186"	219.113851	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Hac-H"	59.013851
"967997"	227.080151	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+NaCOOH"	66.980151
"122372"	195.069402	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2Cl"	69.938804
"558651"	275.119402	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2Cl"	69.938804
"1029636"	115.019402	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2Cl"	69.938804
"1245934"	239.018885	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Br"	78.918885
"1315673"	241.074872	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl+HCOOH"	80.974872
"1321505"	263.056829	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl+NaCOOH"	102.956829
"914750"	273.085586	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M-H+CF3COOH"	112.985586
"1290370"	309.062264	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Cl+CF3COOH"	148.962264
"1373999"	125.087324	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H-2H2O"	-35.012676
"1390402"	143.0973	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H-H2O"	-17.0027
"297993"	321.207276	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H"	1.007276
"690536"	481.307276	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H"	1.007276
"1365913"	161.107276	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H"	1.007276
"140627"	161.107276	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2H"	2.014552
"581158"	241.157276	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2H"	2.014552
"1052388"	81.057276	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2H"	2.014552
"214577"	107.740609333333	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+3H"	3.021828
"655970"	161.107276	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+3H"	3.021828
"1176280"	54.3739426666667	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+3H"	3.021828
"433356"	338.233823	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+NH4"	18.033823
"792163"	498.333823	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+NH4"	18.033823
"1693235"	178.133823	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+NH4"	18.033823
"336772"	169.6205495	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H+NH4"	19.041099
"734299"	249.6705495	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H+NH4"	19.041099
"1484108"	89.5705495	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+NH4"	19.041099
"403883"	343.189218	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Na"	22.989218
"764876"	503.289218	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+Na"	22.989218
"1611883"	183.089218	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na"	22.989218
"321921"	172.098247	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H+Na"	23.996494
"715435"	252.148247	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H+Na"	23.996494
"1467069"	92.048247	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+Na"	23.996494
"1063595"	61.7012566666667	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2H+Na"	25.00377
"1269651"	193.133486	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+CH3OH+H"	33.033486
"383850"	359.163158	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+K"	38.963158
"753880"	519.263158	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+K"	38.963158
"1555206"	199.063158	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K"	38.963158
"313553"	180.085217	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+H+K"	39.970434
"706749"	260.135217	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+H+K"	39.970434
"1460526"	100.035217	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+K"	39.970434
"250585"	362.233826	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+ACN+H"	42.033826
"1225486"	202.133826	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+ACN+H"	42.033826
"1205357"	101.570551	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+ACN+2H"	43.041102
"202239"	365.17116	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2Na-H"	44.97116
"637787"	525.27116	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2Na-H"	44.97116
"1143845"	205.07116	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2Na-H"	44.97116
"187382"	183.089218	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2Na"	45.978436
"626575"	263.139218	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2Na"	45.978436
"1129106"	103.039218	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2Na"	45.978436
"1412145"	69.0285706666667	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+2Na"	46.985712
"1442193"	207.112746	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+HCOOH"	47.012746
"231890"	188.12224	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+3H2O+2H"	56.04448
"1521046"	221.16479	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+IsoProp+H"	61.06479
"420733"	191.076188	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+Na+K"	61.952376
"779540"	271.126188	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+Na+K"	61.952376
"1676968"	111.026188	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na+K"	61.952376
"266287"	384.215768	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+ACN+Na"	64.015768
"1239491"	224.115768	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+ACN+Na"	64.015768
"1727853"	224.139293	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+NH4+HCOOH"	64.039293
"1193532"	76.3558846666667	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+3Na"	68.967654
"1664717"	229.094688	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na+HCOOH"	68.994688
"171944"	397.11904	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2K-H"	76.91904
"612107"	557.21904	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2K-H"	76.91904
"1098928"	237.01904	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2K-H"	76.91904
"155019"	199.063158	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"2M+2K"	77.926316
"593849"	279.113158	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"3M+2K"	77.926316
"1079454"	119.013158	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2K"	77.926316
"1108654"	239.033592	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2K+H"	78.933592
"1342854"	239.121207	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+DMSO+H"	79.021207
"1016487"	243.160376	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2ACN+H"	83.060376
"1534978"	244.154008	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+IsoProp+Na+H"	84.054008
"1000329"	122.083826	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+2ACN+2H"	84.067652
"1595926"	245.068628	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K+HCOOH"	84.968628
"1422682"	275.100138	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+H+CF3COOH"	115.000138
"1155157"	142.597101	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+3ACN+2H"	125.094202
"1699240"	292.126685	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+NH4+CF3COOH"	132.026685
"1642547"	297.08208	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+Na+CF3COOH"	136.98208
"1576011"	313.05602	"C02548"	"2-(2-Aminoethyl)indole"	"C10H12N2"	"160.1"	"M+K+CF3COOH"	152.95602
"815738"	374.1366	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M"	0
"988301"	355.11821	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-H2O-H"	-19.01839
"77635"	248.417124	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M-3H"	-3.021828
"514279"	373.129324	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M-3H"	-3.021828
"894636"	123.704924	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-3H"	-3.021828
"7377"	373.129324	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M-2H"	-2.014552
"448030"	560.197624	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M-2H"	-2.014552
"825834"	186.061024	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-2H"	-2.014552
"83637"	747.265924	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M-H"	-1.007276
"521372"	1121.402524	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M-H"	-1.007276
"897837"	373.129324	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-H"	-1.007276
"52094"	764.292471	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M-2H+NH4"	16.019271
"489466"	1138.429071	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M-2H+NH4"	16.019271
"865323"	390.155871	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-2H+NH4"	16.019271
"40640"	769.247866	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M-2H+Na"	20.974666
"478015"	1143.384466	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M-2H+Na"	20.974666
"862378"	395.111266	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-2H+Na"	20.974666
"1629724"	395.111266	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Na-2H"	20.974666
"101878"	391.117663	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M-H+Cl"	33.962126
"544719"	578.185963	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M-H+Cl"	33.962126
"933859"	204.049363	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-H+Cl"	33.962126
"277892"	783.242602	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+Cl"	34.969402
"670314"	1157.379202	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+Cl"	34.969402
"1279437"	409.106002	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Cl"	34.969402
"30623"	785.221806	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M-2H+K"	36.948606
"462650"	1159.358406	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M-2H+K"	36.948606
"841545"	411.085206	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-2H+K"	36.948606
"1563939"	411.085206	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+K-2H"	36.948606
"954010"	419.134794	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-H+HCOOH"	44.998194
"371131"	793.271401	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+HCOOH-H"	44.998201
"356471"	807.287051	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+Hac-H"	59.013851
"1501659"	433.150451	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Hac-H"	59.013851
"968106"	441.116751	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-H+NaCOOH"	66.980151
"120660"	409.106002	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+2Cl"	69.938804
"556574"	596.174302	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+2Cl"	69.938804
"1025372"	222.037702	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2Cl"	69.938804
"1251512"	453.055485	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Br"	78.918885
"1311773"	455.111472	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Cl+HCOOH"	80.974872
"1322709"	477.093429	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Cl+NaCOOH"	102.956829
"912675"	487.122186	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M-H+CF3COOH"	112.985586
"1289386"	523.098864	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Cl+CF3COOH"	148.962264
"1373015"	339.123924	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H-2H2O"	-35.012676
"1386136"	357.1339	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H-H2O"	-17.0027
"298230"	749.280476	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+H"	1.007276
"690158"	1123.417076	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+H"	1.007276
"1366509"	375.143876	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H"	1.007276
"140979"	375.143876	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+2H"	2.014552
"580540"	562.212176	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+2H"	2.014552
"1052016"	188.075576	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2H"	2.014552
"217606"	250.431676	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+3H"	3.021828
"655716"	375.143876	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+3H"	3.021828
"1175663"	125.719476	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+3H"	3.021828
"429457"	766.307023	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+NH4"	18.033823
"790814"	1140.443623	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+NH4"	18.033823
"1689700"	392.170423	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+NH4"	18.033823
"336153"	383.6571495	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+H+NH4"	19.041099
"731493"	570.7254495	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+H+NH4"	19.041099
"1484217"	196.5888495	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H+NH4"	19.041099
"400712"	771.262418	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+Na"	22.989218
"761705"	1145.399018	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+Na"	22.989218
"1607619"	397.125818	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Na"	22.989218
"320936"	386.134847	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+H+Na"	23.996494
"711172"	573.203147	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+H+Na"	23.996494
"1463900"	199.066547	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H+Na"	23.996494
"1064799"	133.04679	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2H+Na"	25.00377
"1263199"	407.170086	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+CH3OH+H"	33.033486
"383960"	787.236358	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+K"	38.963158
"752247"	1161.372958	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+K"	38.963158
"1553207"	413.099758	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+K"	38.963158
"314192"	394.121817	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+H+K"	39.970434
"706448"	581.190117	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+H+K"	39.970434
"1460268"	207.053517	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H+K"	39.970434
"251373"	790.307026	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+ACN+H"	42.033826
"1225355"	416.170426	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+ACN+H"	42.033826
"1207655"	208.588851	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+ACN+2H"	43.041102
"201618"	793.24436	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+2Na-H"	44.97116
"637897"	1167.38096	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+2Na-H"	44.97116
"1144684"	419.10776	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2Na-H"	44.97116
"187821"	397.125818	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+2Na"	45.978436
"626442"	584.194118	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+2Na"	45.978436
"1130557"	210.057518	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2Na"	45.978436
"1410188"	140.374104	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H+2Na"	46.985712
"1442303"	421.149346	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H+HCOOH"	47.012746
"232000"	402.15884	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+3H2O+2H"	56.04448
"1522614"	435.20139	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+IsoProp+H"	61.06479
"421571"	405.112788	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+Na+K"	61.952376
"777463"	592.181088	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+Na+K"	61.952376
"1675985"	218.044488	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Na+K"	61.952376
"264695"	812.288968	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+ACN+Na"	64.015768
"1239964"	438.152368	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+ACN+Na"	64.015768
"1728291"	438.175893	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+NH4+HCOOH"	64.039293
"1194128"	147.701418	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+3Na"	68.967654
"1665069"	443.131288	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Na+HCOOH"	68.994688
"172622"	825.19224	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+2K-H"	76.91904
"612337"	1199.32884	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+2K-H"	76.91904
"1099037"	451.05564	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2K-H"	76.91904
"153669"	413.099758	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"2M+2K"	77.926316
"593596"	600.168058	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"3M+2K"	77.926316
"1076649"	226.031458	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2K"	77.926316
"1108401"	453.070192	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2K+H"	78.933592
"1342964"	453.157807	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+DMSO+H"	79.021207
"1016597"	457.196976	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2ACN+H"	83.060376
"1535816"	458.190608	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+IsoProp+Na+H"	84.054008
"999346"	229.102126	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+2ACN+2H"	84.067652
"1597129"	459.105228	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+K+HCOOH"	84.968628
"1421698"	489.136738	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+H+CF3COOH"	115.000138
"1155267"	249.615401	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+3ACN+2H"	125.094202
"1699350"	506.163285	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+NH4+CF3COOH"	132.026685
"1642657"	511.11868	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+Na+CF3COOH"	136.98208
"1576121"	527.09262	"C02549"	"Kievitone hydrate"	"C20H22O7"	"374.1366"	"M+K+CF3COOH"	152.95602
"813053"	487.1202	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M"	0
"988899"	468.10181	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-H2O-H"	-19.01839
"72643"	323.739524	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M-3H"	-3.021828
"506734"	486.112924	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M-3H"	-3.021828
"883443"	161.366124	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-3H"	-3.021828
"4208"	486.112924	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M-2H"	-2.014552
"444861"	729.673024	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M-2H"	-2.014552
"819744"	242.552824	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-2H"	-2.014552
"81924"	973.233124	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M-H"	-1.007276
"526584"	1460.353324	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M-H"	-1.007276
"902200"	486.112924	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-H"	-1.007276
"53298"	990.259671	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M-2H+NH4"	16.019271
"496144"	1477.379871	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M-2H+NH4"	16.019271
"873947"	503.139471	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-2H+NH4"	16.019271
"38567"	995.215066	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M-2H+Na"	20.974666
"482500"	1482.335266	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M-2H+Na"	20.974666
"860303"	508.094866	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-2H+Na"	20.974666
"1631661"	508.094866	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Na-2H"	20.974666
"106364"	504.101263	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M-H+Cl"	33.962126
"548479"	747.661363	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M-H+Cl"	33.962126
"931786"	260.541163	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-H+Cl"	33.962126
"273625"	1009.209802	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+Cl"	34.969402
"663860"	1496.330002	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+Cl"	34.969402
"1277358"	522.089602	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Cl"	34.969402
"22102"	1011.189006	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M-2H+K"	36.948606
"456923"	1498.309206	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M-2H+K"	36.948606
"837276"	524.068806	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-2H+K"	36.948606
"1558577"	524.068806	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+K-2H"	36.948606
"945366"	532.118394	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-H+HCOOH"	44.998194
"365771"	1019.238601	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+HCOOH-H"	44.998201
"349654"	1033.254251	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+Hac-H"	59.013851
"1496298"	546.134051	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Hac-H"	59.013851
"960925"	554.100351	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-H+NaCOOH"	66.980151
"112382"	522.089602	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+2Cl"	69.938804
"553400"	765.649702	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+2Cl"	69.938804
"1027668"	278.529502	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2Cl"	69.938804
"1246154"	566.039085	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Br"	78.918885
"1307507"	568.095072	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Cl+HCOOH"	80.974872
"1326098"	590.077029	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Cl+NaCOOH"	102.956829
"911562"	600.105786	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M-H+CF3COOH"	112.985586
"1288764"	636.082464	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Cl+CF3COOH"	148.962264
"1376408"	452.107524	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H-2H2O"	-35.012676
"1394998"	470.1175	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H-H2O"	-17.0027
"293591"	975.247676	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+H"	1.007276
"689295"	1462.367876	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+H"	1.007276
"1366976"	488.127476	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H"	1.007276
"140611"	488.127476	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+2H"	2.014552
"580897"	731.687576	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+2H"	2.014552
"1050188"	244.567376	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2H"	2.014552
"216990"	325.754076	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+3H"	3.021828
"654366"	488.127476	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+3H"	3.021828
"1176138"	163.380676	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+3H"	3.021828
"433576"	992.274223	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+NH4"	18.033823
"788735"	1479.394423	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+NH4"	18.033823
"1690899"	505.154023	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+NH4"	18.033823
"338086"	496.6407495	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+H+NH4"	19.041099
"730507"	740.2008495	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+H+NH4"	19.041099
"1484326"	253.0806495	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H+NH4"	19.041099
"395719"	997.229618	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+Na"	22.989218
"754568"	1484.349818	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+Na"	22.989218
"1605541"	510.109418	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Na"	22.989218
"323233"	499.118447	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+H+Na"	23.996494
"713469"	742.678547	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+H+Na"	23.996494
"1464005"	255.558347	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H+Na"	23.996494
"1053245"	170.70799	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2H+Na"	25.00377
"1262216"	520.153686	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+CH3OH+H"	33.033486
"384070"	1013.203558	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+K"	38.963158
"751994"	1500.323758	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+K"	38.963158
"1553320"	526.083358	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+K"	38.963158
"312316"	507.105417	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+H+K"	39.970434
"706316"	750.665517	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+H+K"	39.970434
"1460501"	263.545317	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H+K"	39.970434
"242424"	1016.274226	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+ACN+H"	42.033826
"1217320"	529.154026	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+ACN+H"	42.033826
"1202293"	265.080651	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+ACN+2H"	43.041102
"201971"	1019.21156	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+2Na-H"	44.97116
"639097"	1506.33176	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+2Na-H"	44.97116
"1140416"	532.09136	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2Na-H"	44.97116
"185656"	510.109418	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+2Na"	45.978436
"626675"	753.669518	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+2Na"	45.978436
"1129330"	266.549318	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2Na"	45.978436
"1413096"	178.035304	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H+2Na"	46.985712
"1441319"	534.132946	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H+HCOOH"	47.012746
"234786"	515.14244	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+3H2O+2H"	56.04448
"1520901"	548.18499	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+IsoProp+H"	61.06479
"422049"	518.096388	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+Na+K"	61.952376
"784388"	761.656488	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+Na+K"	61.952376
"1680602"	274.536288	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Na+K"	61.952376
"266512"	1038.256168	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+ACN+Na"	64.015768
"1241049"	551.135968	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+ACN+Na"	64.015768
"1727382"	551.159493	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+NH4+HCOOH"	64.039293
"1192856"	185.362618	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+3Na"	68.967654
"1664942"	556.114888	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Na+HCOOH"	68.994688
"171797"	1051.15944	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+2K-H"	76.91904
"609902"	1538.27964	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+2K-H"	76.91904
"1097694"	564.03924	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2K-H"	76.91904
"151228"	526.083358	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"2M+2K"	77.926316
"590790"	769.643458	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"3M+2K"	77.926316
"1076395"	282.523258	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2K"	77.926316
"1108511"	566.053792	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2K+H"	78.933592
"1345989"	566.141407	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+DMSO+H"	79.021207
"1014881"	570.180576	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2ACN+H"	83.060376
"1531914"	571.174208	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+IsoProp+Na+H"	84.054008
"999456"	285.593926	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+2ACN+2H"	84.067652
"1592864"	572.088828	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+K+HCOOH"	84.968628
"1418526"	602.120338	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+H+CF3COOH"	115.000138
"1157565"	306.107201	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+3ACN+2H"	125.094202
"1706022"	619.146885	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+NH4+CF3COOH"	132.026685
"1642767"	624.10228	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+Na+CF3COOH"	136.98208
"1575139"	640.07622	"C02555"	"Luciferyl sulfate"	"C26H21N3O5S"	"487.1202"	"M+K+CF3COOH"	152.95602
"816322"	867.1313	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M"	0
"989699"	848.11291	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H2O-H"	-19.01839
"70568"	577.080257333333	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-3H"	-3.021828
"516687"	866.124024	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-3H"	-3.021828
"892302"	288.036490666667	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-3H"	-3.021828
"4318"	866.124024	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H"	-2.014552
"444971"	1299.689674	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H"	-2.014552
"820948"	432.558374	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H"	-2.014552
"83857"	1733.255324	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-H"	-1.007276
"525605"	2600.386624	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-H"	-1.007276
"899394"	866.124024	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H"	-1.007276
"50127"	1750.281871	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+NH4"	16.019271
"492971"	2617.413171	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+NH4"	16.019271
"867493"	883.150571	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+NH4"	16.019271
"35394"	1755.237266	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+Na"	20.974666
"473131"	2622.368566	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+Na"	20.974666
"857133"	888.105966	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+Na"	20.974666
"1632863"	888.105966	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na-2H"	20.974666
"103194"	884.112363	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-H+Cl"	33.962126
"547129"	1317.678013	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-H+Cl"	33.962126
"937363"	450.546713	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+Cl"	33.962126
"273734"	1769.232002	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Cl"	34.969402
"665064"	2636.363302	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Cl"	34.969402
"1277467"	902.100702	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl"	34.969402
"20025"	1771.211206	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M-2H+K"	36.948606
"458857"	2638.342506	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M-2H+K"	36.948606
"836291"	904.079906	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-2H+K"	36.948606
"1558687"	904.079906	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K-2H"	36.948606
"947663"	912.129494	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+HCOOH"	44.998194
"365881"	1779.260801	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+HCOOH-H"	44.998201
"353047"	1793.276451	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Hac-H"	59.013851
"1500784"	926.145151	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Hac-H"	59.013851
"967234"	934.111451	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+NaCOOH"	66.980151
"112860"	902.100702	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Cl"	69.938804
"554606"	1335.666352	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Cl"	69.938804
"1024134"	468.535052	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Cl"	69.938804
"1244805"	946.050185	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Br"	78.918885
"1309078"	948.106172	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+HCOOH"	80.974872
"1322565"	970.088129	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+NaCOOH"	102.956829
"911798"	980.116886	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M-H+CF3COOH"	112.985586
"1290333"	1016.093564	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Cl+CF3COOH"	148.962264
"1368864"	832.118624	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H-2H2O"	-35.012676
"1387453"	850.1286	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H-H2O"	-17.0027
"290421"	1735.269876	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H"	1.007276
"687218"	2602.401176	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H"	1.007276
"1367005"	868.138576	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H"	1.007276
"140844"	868.138576	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2H"	2.014552
"581133"	1301.704226	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2H"	2.014552
"1049933"	434.572926	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2H"	2.014552
"216008"	579.094809333333	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+3H"	3.021828
"654477"	868.138576	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+3H"	3.021828
"1172603"	290.051042666667	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3H"	3.021828
"432594"	1752.296423	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+NH4"	18.033823
"791398"	2619.427723	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+NH4"	18.033823
"1687364"	885.165123	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4"	18.033823
"337103"	876.6518495	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+NH4"	19.041099
"728793"	1310.2174995	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+NH4"	19.041099
"1481159"	443.0861995	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+NH4"	19.041099
"396562"	1757.251818	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Na"	22.989218
"757557"	2624.383118	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Na"	22.989218
"1605655"	890.120518	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na"	22.989218
"320065"	879.129547	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+Na"	23.996494
"714674"	1312.695197	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+Na"	23.996494
"1463146"	445.563897	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+Na"	23.996494
"1058462"	297.378356666667	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2H+Na"	25.00377
"1263421"	900.164786	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+CH3OH+H"	33.033486
"381994"	1773.225758	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+K"	38.963158
"749551"	2640.357058	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+K"	38.963158
"1550514"	906.094458	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K"	38.963158
"309876"	887.116517	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+H+K"	39.970434
"706552"	1320.682167	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+H+K"	39.970434
"1460133"	453.550867	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+K"	39.970434
"248364"	1776.296426	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+H"	42.033826
"1217429"	909.165126	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+H"	42.033826
"1204589"	455.086201	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+2H"	43.041102
"202689"	1779.23376	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na-H"	44.97116
"638117"	2646.36506	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na-H"	44.97116
"1142713"	912.10246	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Na-H"	44.97116
"185524"	890.120518	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2Na"	45.978436
"627643"	1323.686168	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2Na"	45.978436
"1130906"	456.554868	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2Na"	45.978436
"1413214"	304.705670666667	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+2Na"	46.985712
"1444480"	914.144046	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+HCOOH"	47.012746
"234776"	895.15354	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+3H2O+2H"	56.04448
"1522106"	928.19609	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+H"	61.06479
"422160"	898.107488	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+Na+K"	61.952376
"784620"	1331.673138	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+Na+K"	61.952376
"1680592"	464.541838	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+K"	61.952376
"266624"	1798.278368	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+ACN+Na"	64.015768
"1241039"	931.147068	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+ACN+Na"	64.015768
"1727124"	931.170593	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+HCOOH"	64.039293
"1192967"	312.032984666667	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3Na"	68.967654
"1664808"	936.125988	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+HCOOH"	68.994688
"171910"	1811.18164	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2K-H"	76.91904
"611466"	2678.31294	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2K-H"	76.91904
"1099259"	944.05034	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K-H"	76.91904
"149513"	906.094458	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"2M+2K"	77.926316
"590171"	1339.660108	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"3M+2K"	77.926316
"1077961"	472.528808	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K"	77.926316
"1110443"	946.064892	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2K+H"	78.933592
"1345734"	946.152507	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+DMSO+H"	79.021207
"1013898"	950.191676	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+H"	83.060376
"1530931"	951.185308	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+IsoProp+Na+H"	84.054008
"998474"	475.599476	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+2ACN+2H"	84.067652
"1597350"	952.099928	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K+HCOOH"	84.968628
"1419729"	982.131438	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+H+CF3COOH"	115.000138
"1151113"	496.112751	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+3ACN+2H"	125.094202
"1700663"	999.157985	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+NH4+CF3COOH"	132.026685
"1636312"	1004.11338	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+Na+CF3COOH"	136.98208
"1575249"	1020.08732	"C02557"	"Methylmalonyl-CoA;Methylmalonyl coenzyme A;2-Methylmalonyl-CoA"	"C25H40N7O19P3S"	"867.1313"	"M+K+CF3COOH"	152.95602
"815706"	110.048	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M"	0
"989161"	91.02961	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-H2O-H"	-19.01839
"71771"	72.3580573333333	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M-3H"	-3.021828
"514611"	109.040724	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M-3H"	-3.021828
"890226"	35.6753906666667	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-3H"	-3.021828
"4428"	109.040724	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M-2H"	-2.014552
"448362"	164.064724	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M-2H"	-2.014552
"829081"	54.016724	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-2H"	-2.014552
"88341"	219.088724	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M-H"	-1.007276
"523527"	329.136724	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M-H"	-1.007276
"899504"	109.040724	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-H"	-1.007276
"50238"	236.115271	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M-2H+NH4"	16.019271
"493082"	346.163271	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M-2H+NH4"	16.019271
"868696"	126.067271	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-2H+NH4"	16.019271
"35504"	241.070666	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M-2H+Na"	20.974666
"476158"	351.118666	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M-2H+Na"	20.974666
"851776"	131.022666	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-2H+Na"	20.974666
"1630056"	131.022666	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Na-2H"	20.974666
"100024"	127.029063	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M-H+Cl"	33.962126
"538492"	182.053063	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M-H+Cl"	33.962126
"929820"	72.005063	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-H+Cl"	33.962126
"271658"	255.065402	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+Cl"	34.969402
"667363"	365.113402	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+Cl"	34.969402
"1277577"	145.017402	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Cl"	34.969402
"20135"	257.044606	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M-2H+K"	36.948606
"460791"	367.092606	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M-2H+K"	36.948606
"835672"	146.996606	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-2H+K"	36.948606
"1556974"	146.996606	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+K-2H"	36.948606
"946681"	155.046194	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-H+HCOOH"	44.998194
"364897"	265.094201	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+HCOOH-H"	44.998201
"353158"	279.109851	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+Hac-H"	59.013851
"1495428"	169.061851	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Hac-H"	59.013851
"961875"	177.028151	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-H+NaCOOH"	66.980151
"117344"	145.017402	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+2Cl"	69.938804
"553256"	200.041402	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+2Cl"	69.938804
"1023515"	89.993402	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2Cl"	69.938804
"1244187"	188.966885	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Br"	78.918885
"1306634"	191.022872	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Cl+HCOOH"	80.974872
"1322308"	213.004829	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Cl+NaCOOH"	102.956829
"913003"	223.033586	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M-H+CF3COOH"	112.985586
"1289224"	259.010264	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Cl+CF3COOH"	148.962264
"1368966"	75.035324	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H-2H2O"	-35.012676
"1385369"	93.0453	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H-H2O"	-17.0027
"290528"	221.103276	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+H"	1.007276
"684043"	331.151276	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+H"	1.007276
"1363675"	111.055276	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H"	1.007276
"139479"	111.055276	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+2H"	2.014552
"579405"	166.079276	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+2H"	2.014552
"1050040"	56.031276	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2H"	2.014552
"208829"	74.3726093333333	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+3H"	3.021828
"654587"	111.055276	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+3H"	3.021828
"1171619"	37.6899426666667	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+3H"	3.021828
"432704"	238.129823	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+NH4"	18.033823
"789687"	348.177823	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+NH4"	18.033823
"1685653"	128.081823	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+NH4"	18.033823
"331743"	119.5685495	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+H+NH4"	19.041099
"727810"	174.5925495	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+H+NH4"	19.041099
"1482362"	64.5445495	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H+NH4"	19.041099
"395580"	243.085218	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+Na"	22.989218
"755723"	353.133218	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+Na"	22.989218
"1605766"	133.037218	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Na"	22.989218
"322362"	122.046247	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+H+Na"	23.996494
"714784"	177.070247	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+H+Na"	23.996494
"1465323"	67.022247	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H+Na"	23.996494
"1058572"	45.0172566666667	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2H+Na"	25.00377
"1263531"	143.081486	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+CH3OH+H"	33.033486
"382104"	259.059158	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+K"	38.963158
"747476"	369.107158	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+K"	38.963158
"1550625"	149.011158	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+K"	38.963158
"313266"	130.033217	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+H+K"	39.970434
"706828"	185.057217	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+H+K"	39.970434
"1460967"	75.009217	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H+K"	39.970434
"241548"	262.129826	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+ACN+H"	42.033826
"1215350"	152.081826	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+ACN+H"	42.033826
"1204699"	76.544551	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+ACN+2H"	43.041102
"200852"	265.06716	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+2Na-H"	44.97116
"638227"	375.11516	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+2Na-H"	44.97116
"1141729"	155.01916	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2Na-H"	44.97116
"182839"	133.037218	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+2Na"	45.978436
"627015"	188.061218	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+2Na"	45.978436
"1130526"	78.013218	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2Na"	45.978436
"1413688"	52.3445706666667	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H+2Na"	46.985712
"1445073"	157.060746	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H+HCOOH"	47.012746
"234523"	138.07024	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+3H2O+2H"	56.04448
"1521120"	171.11279	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+IsoProp+H"	61.06479
"421905"	141.024188	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+Na+K"	61.952376
"784727"	196.048188	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+Na+K"	61.952376
"1680585"	86.000188	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Na+K"	61.952376
"266131"	284.111768	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+ACN+Na"	64.015768
"1239929"	174.063768	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+ACN+Na"	64.015768
"1726990"	174.087293	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+NH4+HCOOH"	64.039293
"1193686"	59.6718846666667	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+3Na"	68.967654
"1664427"	179.042688	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Na+HCOOH"	68.994688
"171894"	297.01504	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+2K-H"	76.91904
"611211"	407.06304	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+2K-H"	76.91904
"1097914"	186.96704	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2K-H"	76.91904
"149259"	149.011158	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"2M+2K"	77.926316
"589187"	204.035158	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"3M+2K"	77.926316
"1079530"	93.987158	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2K"	77.926316
"1109824"	188.981592	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2K+H"	78.933592
"1345116"	189.069207	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+DMSO+H"	79.021207
"1015101"	193.108376	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2ACN+H"	83.060376
"1532132"	194.102008	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+IsoProp+Na+H"	84.054008
"1001500"	97.057826	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+2ACN+2H"	84.067652
"1589803"	195.016628	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+K+HCOOH"	84.968628
"1419839"	225.048138	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+H+CF3COOH"	115.000138
"1151223"	117.571101	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+3ACN+2H"	125.094202
"1701866"	242.074685	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+NH4+CF3COOH"	132.026685
"1644081"	247.03008	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+Na+CF3COOH"	136.98208
"1585201"	263.00402	"C02560"	"N-Acetylimidazole;1-Acetyl-1H-imidazole"	"C5H6N2O"	"110.048"	"M+K+CF3COOH"	152.95602
"816303"	251.0794	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M"	0
"988744"	232.06101	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-H2O-H"	-19.01839
"71881"	166.378990666667	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M-3H"	-3.021828
"512535"	250.072124	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M-3H"	-3.021828
"888151"	82.6858573333333	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-3H"	-3.021828
"7819"	250.072124	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M-2H"	-2.014552
"451753"	375.611824	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M-2H"	-2.014552
"827366"	124.532424	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-2H"	-2.014552
"87359"	501.151524	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M-H"	-1.007276
"525825"	752.230924	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M-H"	-1.007276
"897673"	250.072124	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-H"	-1.007276
"52539"	518.178071	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M-2H+NH4"	16.019271
"488816"	769.257471	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M-2H+NH4"	16.019271
"868806"	267.098671	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-2H+NH4"	16.019271
"34519"	523.133466	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M-2H+Na"	20.974666
"476271"	774.212866	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M-2H+Na"	20.974666
"851034"	272.054066	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-2H+Na"	20.974666
"1619837"	272.054066	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Na-2H"	20.974666
"97948"	268.060463	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M-H+Cl"	33.962126
"536416"	393.600163	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M-H+Cl"	33.962126
"934303"	142.520763	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-H+Cl"	33.962126
"268726"	537.128202	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+Cl"	34.969402
"665284"	788.207602	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+Cl"	34.969402
"1275502"	286.048802	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Cl"	34.969402
"20246"	539.107406	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M-2H+K"	36.948606
"458713"	790.186806	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M-2H+K"	36.948606
"835417"	288.028006	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-2H+K"	36.948606
"1557084"	288.028006	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+K-2H"	36.948606
"946426"	296.077594	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-H+HCOOH"	44.998194
"367194"	547.157001	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+HCOOH-H"	44.998201
"351078"	561.172651	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+Hac-H"	59.013851
"1495538"	310.093251	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Hac-H"	59.013851
"961255"	318.059551	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-H+NaCOOH"	66.980151
"116356"	286.048802	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+2Cl"	69.938804
"558105"	411.588502	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+2Cl"	69.938804
"1029093"	160.509102	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2Cl"	69.938804
"1247579"	329.998285	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Br"	78.918885
"1307839"	332.054272	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Cl+HCOOH"	80.974872
"1324243"	354.036229	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Cl+NaCOOH"	102.956829
"912504"	364.064986	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M-H+CF3COOH"	112.985586
"1289577"	400.041664	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Cl+CF3COOH"	148.962264
"1368344"	216.066724	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H-2H2O"	-35.012676
"1384385"	234.0767	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H-H2O"	-17.0027
"286263"	503.166076	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+H"	1.007276
"680875"	754.245476	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+H"	1.007276
"1359410"	252.086676	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H"	1.007276
"133391"	252.086676	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+2H"	2.014552
"570766"	377.626376	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+2H"	2.014552
"1052324"	126.546976	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2H"	2.014552
"218291"	168.393542666667	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+3H"	3.021828
"651416"	252.086676	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+3H"	3.021828
"1173914"	84.7004093333333	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+3H"	3.021828
"426978"	520.192623	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+NH4"	18.033823
"788336"	771.272023	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+NH4"	18.033823
"1685762"	269.113223	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+NH4"	18.033823
"332217"	260.5999495	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+H+NH4"	19.041099
"726463"	386.1396495	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+H+NH4"	19.041099
"1480645"	135.0602495	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H+NH4"	19.041099
"393615"	525.148018	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+Na"	22.989218
"756678"	776.227418	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+Na"	22.989218
"1603927"	274.068618	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Na"	22.989218
"315909"	263.077647	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+H+Na"	23.996494
"709423"	388.617347	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+H+Na"	23.996494
"1462634"	137.537947	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H+Na"	23.996494
"1053815"	92.0277233333333	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2H+Na"	25.00377
"1262543"	284.112886	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+CH3OH+H"	33.033486
"381119"	541.121958	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+K"	38.963158
"745397"	792.201358	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+K"	38.963158
"1549639"	290.042558	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+K"	38.963158
"310092"	271.064617	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+H+K"	39.970434
"703607"	396.604317	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+H+K"	39.970434
"1451963"	145.524917	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H+K"	39.970434
"237287"	544.192626	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+ACN+H"	42.033826
"1217646"	293.113226	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+ACN+H"	42.033826
"1206999"	147.060251	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+ACN+2H"	43.041102
"198775"	547.12996	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+2Na-H"	44.97116
"635056"	798.20936	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+2Na-H"	44.97116
"1141116"	296.05056	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2Na-H"	44.97116
"183313"	274.068618	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+2Na"	45.978436
"623237"	399.608318	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+2Na"	45.978436
"1129659"	148.528918	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2Na"	45.978436
"1413840"	99.3550373333333	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H+2Na"	46.985712
"1445426"	298.092146	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H+HCOOH"	47.012746
"231715"	279.10164	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+3H2O+2H"	56.04448
"1520502"	312.14419	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+IsoProp+H"	61.06479
"420920"	282.055588	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+Na+K"	61.952376
"782284"	407.595288	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+Na+K"	61.952376
"1680813"	156.515888	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Na+K"	61.952376
"267090"	566.174568	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+ACN+Na"	64.015768
"1240646"	315.095168	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+ACN+Na"	64.015768
"1727835"	315.118693	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+NH4+HCOOH"	64.039293
"1193677"	106.682351333333	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+3Na"	68.967654
"1663076"	320.074088	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Na+HCOOH"	68.994688
"168845"	579.07784	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+2K-H"	76.91904
"608769"	830.15724	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+2K-H"	76.91904
"1094737"	327.99844	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2K-H"	76.91904
"147547"	290.042558	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"2M+2K"	77.926316
"589297"	415.582258	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"3M+2K"	77.926316
"1077818"	164.502858	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2K"	77.926316
"1107019"	330.012992	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2K+H"	78.933592
"1344494"	330.100607	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+DMSO+H"	79.021207
"1011930"	334.139776	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2ACN+H"	83.060376
"1531149"	335.133408	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+IsoProp+Na+H"	84.054008
"994316"	167.573526	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+2ACN+2H"	84.067652
"1588941"	336.048028	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+K+HCOOH"	84.968628
"1418856"	366.079538	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+H+CF3COOH"	115.000138
"1149146"	188.086801	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+3ACN+2H"	125.094202
"1708543"	383.106085	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+NH4+CF3COOH"	132.026685
"1640914"	388.06148	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+Na+CF3COOH"	136.98208
"1575471"	404.03542	"C02564"	"N-Feruloylglycine;N-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-ylglycine"	"C12H13NO5"	"251.0794"	"M+K+CF3COOH"	152.95602
"817060"	114.0429	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M"	0
"988489"	95.02451	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-H2O-H"	-19.01839
"71991"	75.021324	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M-3H"	-3.021828
"509365"	113.035624	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M-3H"	-3.021828
"884981"	37.007024	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-3H"	-3.021828
"6835"	113.035624	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M-2H"	-2.014552
"451499"	170.057074	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M-2H"	-2.014552
"825289"	56.014174	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-2H"	-2.014552
"89656"	227.078524	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M-H"	-1.007276
"524841"	341.121424	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M-H"	-1.007276
"900820"	113.035624	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-H"	-1.007276
"52649"	244.105071	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M-2H+NH4"	16.019271
"491116"	358.147971	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M-2H+NH4"	16.019271
"867824"	130.062171	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-2H+NH4"	16.019271
"35724"	249.060466	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M-2H+Na"	20.974666
"479661"	363.103366	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M-2H+Na"	20.974666
"854182"	135.017566	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-2H+Na"	20.974666
"1621892"	135.017566	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Na-2H"	20.974666
"101340"	131.023963	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M-H+Cl"	33.962126
"536039"	188.045413	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M-H+Cl"	33.962126
"937694"	74.002513	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-H+Cl"	33.962126
"271878"	263.055202	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+Cl"	34.969402
"666487"	377.098102	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+Cl"	34.969402
"1276705"	149.012302	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Cl"	34.969402
"20356"	265.034406	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M-2H+K"	36.948606
"461010"	379.077306	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M-2H+K"	36.948606
"834800"	150.991506	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-2H+K"	36.948606
"1561203"	150.991506	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+K-2H"	36.948606
"947996"	159.041094	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-H+HCOOH"	44.998194
"369491"	273.084001	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+HCOOH-H"	44.998201
"354468"	287.099651	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+Hac-H"	59.013851
"1498928"	173.056751	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Hac-H"	59.013851
"965374"	181.023051	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-H+NaCOOH"	66.980151
"120840"	149.012302	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+2Cl"	69.938804
"557121"	206.033752	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+2Cl"	69.938804
"1028109"	91.990852	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2Cl"	69.938804
"1245501"	192.961785	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Br"	78.918885
"1309042"	195.017772	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Cl+HCOOH"	80.974872
"1327633"	216.999729	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Cl+NaCOOH"	102.956829
"916504"	227.028486	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M-H+CF3COOH"	112.985586
"1292121"	263.005164	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Cl+CF3COOH"	148.962264
"1367728"	79.030224	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H-2H2O"	-35.012676
"1385593"	97.0402	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H-H2O"	-17.0027
"287467"	229.093076	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+H"	1.007276
"679890"	343.135976	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+H"	1.007276
"1359519"	115.050176	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H"	1.007276
"134594"	115.050176	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+2H"	2.014552
"570876"	172.071626	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+2H"	2.014552
"1046238"	58.028726	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2H"	2.014552
"219906"	77.035876	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+3H"	3.021828
"659466"	115.050176	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+3H"	3.021828
"1177997"	39.021576	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+3H"	3.021828
"439692"	246.119623	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+NH4"	18.033823
"790270"	360.162523	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+NH4"	18.033823
"1692434"	132.076723	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+NH4"	18.033823
"334153"	123.5634495	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+H+NH4"	19.041099
"732043"	180.5848995	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+H+NH4"	19.041099
"1482579"	66.5419995	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H+NH4"	19.041099
"397249"	251.075018	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+Na"	22.989218
"758975"	365.117918	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+Na"	22.989218
"1605981"	137.032118	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Na"	22.989218
"318205"	126.041147	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+H+Na"	23.996494
"712813"	183.062597	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+H+Na"	23.996494
"1465540"	69.019697	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H+Na"	23.996494
"1057693"	46.34889	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2H+Na"	25.00377
"1263746"	147.076386	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+CH3OH+H"	33.033486
"384510"	267.048958	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+K"	38.963158
"750610"	381.091858	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+K"	38.963158
"1554123"	153.006058	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+K"	38.963158
"312390"	134.028117	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+H+K"	39.970434
"705541"	191.049567	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+H+K"	39.970434
"1454260"	77.006667	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H+K"	39.970434
"241769"	270.119626	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+ACN+H"	42.033826
"1219944"	156.076726	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+ACN+H"	42.033826
"1204560"	78.542001	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+ACN+2H"	43.041102
"200710"	273.05696	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+2Na-H"	44.97116
"641001"	387.09986	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+2Na-H"	44.97116
"1143048"	159.01406	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2Na-H"	44.97116
"179777"	137.032118	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+2Na"	45.978436
"627721"	194.053568	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+2Na"	45.978436
"1131272"	80.010668	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2Na"	45.978436
"1413901"	53.676204	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H+2Na"	46.985712
"1438479"	161.055646	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H+HCOOH"	47.012746
"231823"	142.06514	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+3H2O+2H"	56.04448
"1518424"	175.10769	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+IsoProp+H"	61.06479
"417019"	145.019088	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+Na+K"	61.952376
"782394"	202.040538	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+Na+K"	61.952376
"1680922"	87.997638	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Na+K"	61.952376
"267059"	292.101568	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+ACN+Na"	64.015768
"1241080"	178.058668	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+ACN+Na"	64.015768
"1727576"	178.082193	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+NH4+HCOOH"	64.039293
"1193782"	61.003518	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+3Na"	68.967654
"1663552"	183.037588	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Na+HCOOH"	68.994688
"168592"	305.00484	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+2K-H"	76.91904
"608880"	419.04774	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+2K-H"	76.91904
"1091932"	190.96194	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2K-H"	76.91904
"149844"	153.006058	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"2M+2K"	77.926316
"589406"	210.027508	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"3M+2K"	77.926316
"1079751"	95.984608	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2K"	77.926316
"1107128"	192.976492	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2K+H"	78.933592
"1343509"	193.064107	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+DMSO+H"	79.021207
"1013132"	197.103276	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2ACN+H"	83.060376
"1533445"	198.096908	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+IsoProp+Na+H"	84.054008
"995520"	99.055276	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+2ACN+2H"	84.067652
"1591117"	199.011528	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+K+HCOOH"	84.968628
"1417870"	229.043038	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+H+CF3COOH"	115.000138
"1150348"	119.568551	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+3ACN+2H"	125.094202
"1708653"	246.069585	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+NH4+CF3COOH"	132.026685
"1641024"	251.02498	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+Na+CF3COOH"	136.98208
"1575581"	266.99892	"C02565"	"N-Methylhydantoin;N-Methylimidazolidine-24-dione"	"C4H6N2O2"	"114.0429"	"M+K+CF3COOH"	152.95602
"814698"	244.2263	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M"	0
"982767"	225.20791	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-H2O-H"	-19.01839
"72101"	161.810257333333	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M-3H"	-3.021828
"506195"	243.219024	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M-3H"	-3.021828
"881811"	80.4014906666667	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-3H"	-3.021828
"2570"	243.219024	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M-2H"	-2.014552
"443589"	365.332174	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M-2H"	-2.014552
"822118"	121.105874	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-2H"	-2.014552
"81018"	487.445324	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M-H"	-1.007276
"520576"	731.671624	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M-H"	-1.007276
"896311"	243.219024	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-H"	-1.007276
"48378"	504.471871	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M-2H+NH4"	16.019271
"490131"	748.698171	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M-2H+NH4"	16.019271
"864568"	260.245571	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-2H+NH4"	16.019271
"31818"	509.427266	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M-2H+Na"	20.974666
"477584"	753.653566	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M-2H+Na"	20.974666
"849552"	265.200966	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-2H+Na"	20.974666
"1618640"	265.200966	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Na-2H"	20.974666
"98170"	261.207363	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M-H+Cl"	33.962126
"534488"	383.320513	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M-H+Cl"	33.962126
"932337"	139.094213	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-H+Cl"	33.962126
"269802"	523.422002	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+Cl"	34.969402
"661129"	767.648302	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+Cl"	34.969402
"1274993"	279.195702	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Cl"	34.969402
"19373"	525.401206	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M-2H+K"	36.948606
"460027"	769.627506	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M-2H+K"	36.948606
"834547"	281.174906	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-2H+K"	36.948606
"1555968"	281.174906	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+K-2H"	36.948606
"947012"	289.224494	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-H+HCOOH"	44.998194
"367414"	533.450801	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+HCOOH-H"	44.998201
"351298"	547.466451	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+Hac-H"	59.013851
"1493571"	303.240151	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Hac-H"	59.013851
"970587"	311.206451	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-H+NaCOOH"	66.980151
"118766"	279.195702	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+2Cl"	69.938804
"557232"	401.308852	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+2Cl"	69.938804
"1030406"	157.082552	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2Cl"	69.938804
"1246704"	323.145185	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Br"	78.918885
"1308059"	325.201172	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Cl+HCOOH"	80.974872
"1323370"	347.183129	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Cl+NaCOOH"	102.956829
"916614"	357.211886	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M-H+CF3COOH"	112.985586
"1292231"	393.188564	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Cl+CF3COOH"	148.962264
"1368201"	209.213624	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H-2H2O"	-35.012676
"1384973"	227.2236	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H-H2O"	-17.0027
"285390"	489.459876	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+H"	1.007276
"680000"	733.686176	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+H"	1.007276
"1358536"	245.233576	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H"	1.007276
"133611"	245.233576	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+2H"	2.014552
"572079"	367.346726	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+2H"	2.014552
"1045254"	123.120426	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2H"	2.014552
"217541"	163.824809333333	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+3H"	3.021828
"657471"	245.233576	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+3H"	3.021828
"1176323"	82.4160426666667	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+3H"	3.021828
"438137"	506.486423	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+NH4"	18.033823
"798401"	750.712723	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+NH4"	18.033823
"1688173"	262.260123	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+NH4"	18.033823
"335357"	253.7468495	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+H+NH4"	19.041099
"729964"	375.8599995	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+H+NH4"	19.041099
"1482690"	131.6336995	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H+NH4"	19.041099
"398087"	511.441818	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+Na"	22.989218
"757992"	755.668118	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+Na"	22.989218
"1605120"	267.215518	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Na"	22.989218
"318315"	256.224547	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+H+Na"	23.996494
"712923"	378.337697	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+H+Na"	23.996494
"1468930"	134.111397	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H+Na"	23.996494
"1057803"	89.7433566666667	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2H+Na"	25.00377
"1262763"	277.259786	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+CH3OH+H"	33.033486
"382434"	527.415758	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+K"	38.963158
"750356"	771.642058	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+K"	38.963158
"1552410"	283.189458	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+K"	38.963158
"311771"	264.211517	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+H+K"	39.970434
"704921"	386.324667	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+H+K"	39.970434
"1454372"	142.098367	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H+K"	39.970434
"239693"	530.486426	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+ACN+H"	42.033826
"1216774"	286.260126	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+ACN+H"	42.033826
"1203577"	143.633701	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+ACN+2H"	43.041102
"200091"	533.42376	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+2Na-H"	44.97116
"639288"	777.65006	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+2Na-H"	44.97116
"1144616"	289.19746	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2Na-H"	44.97116
"184625"	267.215518	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+2Na"	45.978436
"626008"	389.328668	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+2Na"	45.978436
"1125139"	145.102368	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2Na"	45.978436
"1411578"	97.0706706666667	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H+2Na"	46.985712
"1435309"	291.239046	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H+HCOOH"	47.012746
"229381"	272.24854	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+3H2O+2H"	56.04448
"1518534"	305.29109	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+IsoProp+H"	61.06479
"416036"	275.202488	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+Na+K"	61.952376
"784327"	397.315638	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+Na+K"	61.952376
"1681215"	153.089338	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Na+K"	61.952376
"264265"	552.468368	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+ACN+Na"	64.015768
"1241325"	308.242068	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+ACN+Na"	64.015768
"1728420"	308.265593	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+NH4+HCOOH"	64.039293
"1193934"	104.397984666667	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+3Na"	68.967654
"1664391"	313.220988	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Na+HCOOH"	68.994688
"169068"	565.37164	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+2K-H"	76.91904
"608990"	809.59794	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+2K-H"	76.91904
"1093137"	321.14534	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2K-H"	76.91904
"152142"	283.189458	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"2M+2K"	77.926316
"588423"	405.302608	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"3M+2K"	77.926316
"1082414"	161.076308	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2K"	77.926316
"1107239"	323.159892	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2K+H"	78.933592
"1345806"	323.247507	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+DMSO+H"	79.021207
"1016159"	327.286676	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2ACN+H"	83.060376
"1533555"	328.280308	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+IsoProp+Na+H"	84.054008
"993442"	164.146976	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+2ACN+2H"	84.067652
"1590133"	329.194928	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+K+HCOOH"	84.968628
"1416886"	359.226438	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+H+CF3COOH"	115.000138
"1151551"	184.660251	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+3ACN+2H"	125.094202
"1706574"	376.252985	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+NH4+CF3COOH"	132.026685
"1641134"	381.20838	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+Na+CF3COOH"	136.98208
"1575691"	397.18232	"C02567"	"N1-Acetylspermine"	"C12H28N4O"	"244.2263"	"M+K+CF3COOH"	152.95602
"815541"	314.0684	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M"	0
"985063"	295.05001	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-H2O-H"	-19.01839
"72212"	208.371657333333	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M-3H"	-3.021828
"516145"	313.061124	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M-3H"	-3.021828
"886296"	103.682190666667	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-3H"	-3.021828
"3777"	313.061124	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M-2H"	-2.014552
"444431"	470.095324	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M-2H"	-2.014552
"824419"	156.026924	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-2H"	-2.014552
"82224"	627.129524	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M-H"	-1.007276
"521054"	941.197924	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M-H"	-1.007276
"897152"	313.061124	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-H"	-1.007276
"53962"	644.156071	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+NH4"	16.019271
"491337"	958.224471	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+NH4"	16.019271
"868043"	330.087671	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-2H+NH4"	16.019271
"32297"	649.111466	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+Na"	20.974666
"472222"	963.179866	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+Na"	20.974666
"850025"	335.043066	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-2H+Na"	20.974666
"1620289"	335.043066	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Na-2H"	20.974666
"97182"	331.049463	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M-H+Cl"	33.962126
"535284"	488.083663	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M-H+Cl"	33.962126
"928435"	174.015263	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-H+Cl"	33.962126
"269914"	663.106202	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+Cl"	34.969402
"668899"	977.174602	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+Cl"	34.969402
"1284583"	349.037802	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Cl"	34.969402
"26046"	665.085406	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+K"	36.948606
"465607"	979.153806	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+K"	36.948606
"837942"	351.017006	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-2H+K"	36.948606
"1559243"	351.017006	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+K-2H"	36.948606
"954779"	359.066594	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-H+HCOOH"	44.998194
"374089"	673.135001	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+HCOOH-H"	44.998201
"360523"	687.150651	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+Hac-H"	59.013851
"1503524"	373.082251	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Hac-H"	59.013851
"969971"	381.048551	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-H+NaCOOH"	66.980151
"122158"	349.037802	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+2Cl"	69.938804
"556251"	506.072002	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+2Cl"	69.938804
"1030518"	192.003602	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2Cl"	69.938804
"1250094"	392.987285	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Br"	78.918885
"1308169"	395.043272	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+HCOOH"	80.974872
"1324573"	417.025229	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+NaCOOH"	102.956829
"914537"	427.053986	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M-H+CF3COOH"	112.985586
"1295623"	463.030664	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+CF3COOH"	148.962264
"1370509"	279.055724	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H-2H2O"	-35.012676
"1386910"	297.0657	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H-H2O"	-17.0027
"286596"	629.144076	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+H"	1.007276
"681203"	943.212476	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+H"	1.007276
"1355364"	315.075676	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H"	1.007276
"133720"	315.075676	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+2H"	2.014552
"573285"	472.109876	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+2H"	2.014552
"1040990"	158.041476	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2H"	2.014552
"216558"	210.386209333333	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+3H"	3.021828
"656117"	315.075676	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+3H"	3.021828
"1176433"	105.696742666667	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+3H"	3.021828
"437515"	646.170623	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+NH4"	18.033823
"798511"	960.239023	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+NH4"	18.033823
"1689375"	332.102223	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+NH4"	18.033823
"333279"	323.5889495	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+H+NH4"	19.041099
"728980"	480.6231495	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+H+NH4"	19.041099
"1482801"	166.5547495	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H+NH4"	19.041099
"396014"	651.126018	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+Na"	22.989218
"759197"	965.194418	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+Na"	22.989218
"1610576"	337.057618	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Na"	22.989218
"322800"	326.066647	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+H+Na"	23.996494
"713034"	483.100847	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+H+Na"	23.996494
"1464670"	169.032447	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H+Na"	23.996494
"1059010"	113.024056666667	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2H+Na"	25.00377
"1267249"	347.101886	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+CH3OH+H"	33.033486
"388011"	667.099958	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+K"	38.963158
"750101"	981.168358	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+K"	38.963158
"1552520"	353.031558	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+K"	38.963158
"312973"	334.053617	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+H+K"	39.970434
"704302"	491.087817	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+H+K"	39.970434
"1454483"	177.019417	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H+K"	39.970434
"241262"	670.170626	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+H"	42.033826
"1215792"	356.102226	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+H"	42.033826
"1204047"	178.554751	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+2H"	43.041102
"199106"	673.10796	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na-H"	44.97116
"632107"	987.17636	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na-H"	44.97116
"1134520"	359.03956	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2Na-H"	44.97116
"178903"	337.057618	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na"	45.978436
"625754"	494.091818	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na"	45.978436
"1128530"	180.023418	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2Na"	45.978436
"1412054"	120.351370666667	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H+2Na"	46.985712
"1440889"	361.081146	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H+HCOOH"	47.012746
"229491"	342.09064	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+3H2O+2H"	56.04448
"1519740"	375.13319	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+H"	61.06479
"421251"	345.044588	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+Na+K"	61.952376
"783713"	502.078788	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+Na+K"	61.952376
"1680413"	188.010388	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Na+K"	61.952376
"264013"	692.152568	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+Na"	64.015768
"1237450"	378.084168	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+Na"	64.015768
"1726703"	378.107693	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+HCOOH"	64.039293
"1188413"	127.678684666667	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+3Na"	68.967654
"1657577"	383.063088	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Na+HCOOH"	68.994688
"165164"	705.05584	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+2K-H"	76.91904
"599988"	1019.12424	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+2K-H"	76.91904
"1089968"	390.98744	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2K-H"	76.91904
"146784"	353.031558	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"2M+2K"	77.926316
"591084"	510.065758	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"3M+2K"	77.926316
"1072680"	195.997358	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2K"	77.926316
"1101878"	393.001992	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2K+H"	78.933592
"1344824"	393.089607	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+DMSO+H"	79.021207
"1006304"	397.128776	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+H"	83.060376
"1528200"	398.122408	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+Na+H"	84.054008
"994650"	199.068026	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+2H"	84.067652
"1587691"	399.037028	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+K+HCOOH"	84.968628
"1416269"	429.068538	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+H+CF3COOH"	115.000138
"1153852"	219.581301	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+3ACN+2H"	125.094202
"1706684"	446.095085	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+CF3COOH"	132.026685
"1641244"	451.05048	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+Na+CF3COOH"	136.98208
"1575801"	467.02442	"C02569"	"Neryl diphosphate;Neryl pyrophosphate"	"C10H20O7P2"	"314.0684"	"M+K+CF3COOH"	152.95602
"814921"	204.1236	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M"	0
"982987"	185.10521	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-H2O-H"	-19.01839
"76695"	135.075124	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M-3H"	-3.021828
"512975"	203.116324	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M-3H"	-3.021828
"888594"	67.033924	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-3H"	-3.021828
"8263"	203.116324	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M-2H"	-2.014552
"446728"	305.178124	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M-2H"	-2.014552
"821249"	101.054524	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-2H"	-2.014552
"85614"	407.239924	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M-H"	-1.007276
"521894"	611.363524	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M-H"	-1.007276
"901156"	203.116324	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-H"	-1.007276
"52981"	424.266471	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M-2H+NH4"	16.019271
"493635"	628.390071	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M-2H+NH4"	16.019271
"870342"	220.142871	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-2H+NH4"	16.019271
"33865"	429.221866	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M-2H+Na"	20.974666
"473428"	633.345466	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M-2H+Na"	20.974666
"850621"	225.098266	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-2H+Na"	20.974666
"1619306"	225.098266	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Na-2H"	20.974666
"95834"	221.104663	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M-H+Cl"	33.962126
"535072"	323.166463	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M-H+Cl"	33.962126
"928545"	119.042863	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-H+Cl"	33.962126
"273305"	443.216602	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+Cl"	34.969402
"669009"	647.340202	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+Cl"	34.969402
"1284693"	239.093002	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Cl"	34.969402
"27249"	445.195806	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M-2H+K"	36.948606
"465718"	649.319406	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M-2H+K"	36.948606
"843520"	241.072206	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-2H+K"	36.948606
"1568101"	241.072206	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+K-2H"	36.948606
"954889"	249.121794	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-H+HCOOH"	44.998194
"374570"	453.245401	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+HCOOH-H"	44.998201
"358081"	467.261051	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+Hac-H"	59.013851
"1501447"	263.137451	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Hac-H"	59.013851
"971174"	271.103751	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-H+NaCOOH"	66.980151
"118988"	239.093002	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+2Cl"	69.938804
"556361"	341.154802	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+2Cl"	69.938804
"1025161"	137.031202	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2Cl"	69.938804
"1246925"	283.042485	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Br"	78.918885
"1310466"	285.098472	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Cl+HCOOH"	80.974872
"1325777"	307.080429	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Cl+NaCOOH"	102.956829
"916836"	317.109186	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M-H+CF3COOH"	112.985586
"1296826"	353.085864	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Cl+CF3COOH"	148.962264
"1372804"	169.110924	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H-2H2O"	-35.012676
"1387019"	187.1209	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H-H2O"	-17.0027
"287799"	409.254476	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+H"	1.007276
"678031"	613.378076	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+H"	1.007276
"1356931"	205.130876	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H"	1.007276
"133831"	205.130876	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+2H"	2.014552
"571207"	307.192676	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+2H"	2.014552
"1042192"	103.069076	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2H"	2.014552
"212295"	137.089676	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+3H"	3.021828
"654040"	205.130876	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+3H"	3.021828
"1173262"	69.048476	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+3H"	3.021828
"434347"	426.281023	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+NH4"	18.033823
"795341"	630.404623	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+NH4"	18.033823
"1689485"	222.157423	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+NH4"	18.033823
"337762"	213.6441495	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+H+NH4"	19.041099
"730185"	315.7059495	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+H+NH4"	19.041099
"1479630"	111.5823495	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H+NH4"	19.041099
"402686"	431.236418	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+Na"	22.989218
"762590"	635.360018	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+Na"	22.989218
"1609594"	227.112818	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Na"	22.989218
"321820"	216.121847	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+H+Na"	23.996494
"714238"	318.183647	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+H+Na"	23.996494
"1469155"	114.060047	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H+Na"	23.996494
"1058026"	76.37579	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2H+Na"	25.00377
"1262985"	237.157086	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+CH3OH+H"	33.033486
"385573"	447.210358	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+K"	38.963158
"750211"	651.333958	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+K"	38.963158
"1552266"	243.086758	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+K"	38.963158
"312602"	224.108817	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+H+K"	39.970434
"704778"	326.170617	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+H+K"	39.970434
"1453499"	122.047017	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H+K"	39.970434
"242466"	450.281026	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+ACN+H"	42.033826
"1218088"	246.157426	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+ACN+H"	42.033826
"1203063"	123.582351	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+ACN+2H"	43.041102
"199215"	453.21836	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+2Na-H"	44.97116
"634404"	657.34196	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+2Na-H"	44.97116
"1134632"	249.09476	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2Na-H"	44.97116
"187398"	227.112818	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+2Na"	45.978436
"622948"	329.174618	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+2Na"	45.978436
"1130465"	125.051018	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2Na"	45.978436
"1413386"	83.703104	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H+2Na"	46.985712
"1445141"	251.136346	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H+HCOOH"	47.012746
"234341"	232.14584	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+3H2O+2H"	56.04448
"1522038"	265.18839	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+IsoProp+H"	61.06479
"420630"	235.099788	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+Na+K"	61.952376
"783091"	337.161588	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+Na+K"	61.952376
"1678330"	133.037988	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Na+K"	61.952376
"262301"	472.262968	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+ACN+Na"	64.015768
"1235374"	268.139368	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+ACN+Na"	64.015768
"1727544"	268.162893	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+NH4+HCOOH"	64.039293
"1187431"	91.030418	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+3Na"	68.967654
"1662792"	273.118288	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Na+HCOOH"	68.994688
"163453"	485.16624	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+2K-H"	76.91904
"605201"	689.28984	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+2K-H"	76.91904
"1086801"	281.04264	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2K-H"	76.91904
"149445"	243.086758	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"2M+2K"	77.926316
"588642"	345.148558	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"3M+2K"	77.926316
"1077164"	141.024958	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2K"	77.926316
"1109644"	283.057192	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2K+H"	78.933592
"1342746"	283.144807	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+DMSO+H"	79.021207
"1007996"	287.183976	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2ACN+H"	83.060376
"1532683"	288.177608	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+IsoProp+Na+H"	84.054008
"992572"	144.095626	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+2ACN+2H"	84.067652
"1588290"	289.092228	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+K+HCOOH"	84.968628
"1415650"	319.123738	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+H+CF3COOH"	115.000138
"1155056"	164.608901	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+3ACN+2H"	125.094202
"1703514"	336.150285	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+NH4+CF3COOH"	132.026685
"1647915"	341.10568	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+Na+CF3COOH"	136.98208
"1579191"	357.07962	"C02571"	"O-Acetylcarnitine;O-Acetyl-L-carnitine"	"C9H18NO4"	"204.1236"	"M+K+CF3COOH"	152.95602
"809563"	368.1107	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M"	0
"979816"	349.09231	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-H2O-H"	-19.01839
"70247"	244.399857333333	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M-3H"	-3.021828
"516368"	367.103424	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M-3H"	-3.021828
"888703"	121.696290666667	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-3H"	-3.021828
"2902"	367.103424	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M-2H"	-2.014552
"447931"	551.158774	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M-2H"	-2.014552
"824639"	183.048074	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-2H"	-2.014552
"91195"	735.214124	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M-H"	-1.007276
"524192"	1103.324824	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M-H"	-1.007276
"904181"	367.103424	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-H"	-1.007276
"57464"	752.240671	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M-2H+NH4"	16.019271
"497025"	1120.351371	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M-2H+NH4"	16.019271
"871546"	384.129971	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-2H+NH4"	16.019271
"35800"	757.196066	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M-2H+Na"	20.974666
"474023"	1125.306766	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M-2H+Na"	20.974666
"851338"	389.085366	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-2H+Na"	20.974666
"1620874"	389.085366	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Na-2H"	20.974666
"97038"	385.091763	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M-H+Cl"	33.962126
"542433"	569.147113	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M-H+Cl"	33.962126
"931938"	201.036413	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-H+Cl"	33.962126
"274505"	771.190802	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+Cl"	34.969402
"662186"	1139.301502	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+Cl"	34.969402
"1277146"	403.080102	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Cl"	34.969402
"25172"	773.170006	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M-2H+K"	36.948606
"458172"	1141.280706	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M-2H+K"	36.948606
"844724"	405.059306	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-2H+K"	36.948606
"1564931"	405.059306	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+K-2H"	36.948606
"951722"	413.108894	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-H+HCOOH"	44.998194
"372123"	781.219601	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+HCOOH-H"	44.998201
"357100"	795.235251	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+Hac-H"	59.013851
"1500465"	427.124551	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Hac-H"	59.013851
"970922"	435.090851	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-H+NaCOOH"	66.980151
"114726"	403.080102	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+2Cl"	69.938804
"556474"	587.135452	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+2Cl"	69.938804
"1026366"	219.024752	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2Cl"	69.938804
"1244852"	447.029585	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Br"	78.918885
"1306206"	449.085572	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Cl+HCOOH"	80.974872
"1321513"	471.067529	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Cl+NaCOOH"	102.956829
"918041"	481.096286	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M-H+CF3COOH"	112.985586
"1299123"	517.072964	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Cl+CF3COOH"	148.962264
"1372912"	333.098024	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H-2H2O"	-35.012676
"1389316"	351.108	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H-H2O"	-17.0027
"287909"	737.228676	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+H"	1.007276
"677414"	1105.339376	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+H"	1.007276
"1356679"	369.117976	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H"	1.007276
"129931"	369.117976	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+2H"	2.014552
"573502"	553.173326	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+2H"	2.014552
"1044488"	185.062626	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2H"	2.014552
"216044"	246.414409333333	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+3H"	3.021828
"654148"	369.117976	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+3H"	3.021828
"1175557"	123.710842666667	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+3H"	3.021828
"436640"	754.255223	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+NH4"	18.033823
"793265"	1122.365923	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+NH4"	18.033823
"1691779"	386.144523	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+NH4"	18.033823
"336779"	377.6312495	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+H+NH4"	19.041099
"733574"	561.6865995	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+H+NH4"	19.041099
"1481927"	193.5758995	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H+NH4"	19.041099
"396597"	759.210618	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+Na"	22.989218
"760514"	1127.321318	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+Na"	22.989218
"1612986"	391.099918	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Na"	22.989218
"324117"	380.108947	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+H+Na"	23.996494
"716538"	564.164297	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+H+Na"	23.996494
"1470360"	196.053597	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H+Na"	23.996494
"1064699"	131.038156666667	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2H+Na"	25.00377
"1267470"	401.144186	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+CH3OH+H"	33.033486
"384956"	775.184558	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+K"	38.963158
"751416"	1143.295258	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+K"	38.963158
"1554563"	407.073858	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+K"	38.963158
"313199"	388.095917	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+H+K"	39.970434
"706514"	572.151267	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+H+K"	39.970434
"1458348"	204.040567	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H+K"	39.970434
"250231"	778.255226	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+ACN+H"	42.033826
"1216012"	410.144526	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+ACN+H"	42.033826
"1207548"	205.575901	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+ACN+2H"	43.041102
"202851"	781.19256	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+2Na-H"	44.97116
"639982"	1149.30326	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+2Na-H"	44.97116
"1136929"	413.08186	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2Na-H"	44.97116
"185684"	391.099918	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+2Na"	45.978436
"627676"	575.155268	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+2Na"	45.978436
"1131147"	207.044568	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2Na"	45.978436
"1414051"	138.365470666667	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H+2Na"	46.985712
"1445132"	415.123446	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H+HCOOH"	47.012746
"235391"	396.13294	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+3H2O+2H"	56.04448
"1523492"	429.17549	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+IsoProp+H"	61.06479
"423781"	399.086888	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+Na+K"	61.952376
"783927"	583.142238	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+Na+K"	61.952376
"1677711"	215.031538	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Na+K"	61.952376
"263505"	800.237168	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+ACN+Na"	64.015768
"1234754"	432.126468	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+ACN+Na"	64.015768
"1724735"	432.149993	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+NH4+HCOOH"	64.039293
"1187906"	145.692784666667	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+3Na"	68.967654
"1659621"	437.105388	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Na+HCOOH"	68.994688
"161739"	813.14044	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+2K-H"	76.91904
"605675"	1181.25114	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+2K-H"	76.91904
"1089094"	445.02974	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2K-H"	76.91904
"147003"	407.073858	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"2M+2K"	77.926316
"590573"	591.129208	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"3M+2K"	77.926316
"1077639"	223.018508	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2K"	77.926316
"1107569"	447.044292	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2K+H"	78.933592
"1342857"	447.131907	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+DMSO+H"	79.021207
"1010294"	451.171076	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2ACN+H"	83.060376
"1533887"	452.164708	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+IsoProp+Na+H"	84.054008
"995961"	226.089176	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+2ACN+2H"	84.067652
"1587379"	453.079328	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+K+HCOOH"	84.968628
"1419409"	483.110838	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+H+CF3COOH"	115.000138
"1148968"	246.602451	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+3ACN+2H"	125.094202
"1704719"	500.137385	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+NH4+CF3COOH"	132.026685
"1641464"	505.09278	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+Na+CF3COOH"	136.98208
"1576021"	521.06672	"C02572"	"5-O-Feruloylquinic acid;O-Feruloylquinate;3-O-Feruloylquinic acid"	"C17H20O9"	"368.1107"	"M+K+CF3COOH"	152.95602
"809673"	765.2919	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M"	0
"979926"	746.27351	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-H2O-H"	-19.01839
"64889"	509.187324	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M-3H"	-3.021828
"504449"	764.284624	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M-3H"	-3.021828
"883345"	254.090024	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-3H"	-3.021828
"1920"	764.284624	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M-2H"	-2.014552
"440870"	1146.930574	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M-2H"	-2.014552
"818553"	381.638674	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-2H"	-2.014552
"78905"	1529.576524	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M-H"	-1.007276
"523207"	2294.868424	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M-H"	-1.007276
"898822"	764.284624	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-H"	-1.007276
"54292"	1546.603071	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M-2H+NH4"	16.019271
"496042"	2311.894971	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M-2H+NH4"	16.019271
"871656"	781.311171	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-2H+NH4"	16.019271
"34087"	1551.558466	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M-2H+Na"	20.974666
"473282"	2316.850366	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M-2H+Na"	20.974666
"851083"	786.266566	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-2H+Na"	20.974666
"1620619"	786.266566	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Na-2H"	20.974666
"96784"	782.272963	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M-H+Cl"	33.962126
"540356"	1164.918913	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M-H+Cl"	33.962126
"932777"	399.627013	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-H+Cl"	33.962126
"273522"	1565.553202	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+Cl"	34.969402
"662298"	2330.845102	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+Cl"	34.969402
"1277256"	800.261302	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Cl"	34.969402
"25282"	1567.532406	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M-2H+K"	36.948606
"458282"	2332.824306	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M-2H+K"	36.948606
"841553"	802.240506	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-2H+K"	36.948606
"1558480"	802.240506	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+K-2H"	36.948606
"950739"	810.290094	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-H+HCOOH"	44.998194
"368953"	1575.582001	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+HCOOH-H"	44.998201
"349555"	1589.597651	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+Hac-H"	59.013851
"1496199"	824.305751	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Hac-H"	59.013851
"972125"	832.272051	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-H+NaCOOH"	66.980151
"114836"	800.261302	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+2Cl"	69.938804
"555490"	1182.907252	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+2Cl"	69.938804
"1026476"	417.615352	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2Cl"	69.938804
"1244962"	844.210785	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Br"	78.918885
"1306316"	846.266772	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Cl+HCOOH"	80.974872
"1322352"	868.248729	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Cl+NaCOOH"	102.956829
"918151"	878.277486	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M-H+CF3COOH"	112.985586
"1299233"	914.254164	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Cl+CF3COOH"	148.962264
"1373022"	730.279224	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H-2H2O"	-35.012676
"1389426"	748.2892	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H-H2O"	-17.0027
"288019"	1531.591076	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+H"	1.007276
"678253"	2296.882976	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+H"	1.007276
"1358976"	766.299176	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H"	1.007276
"131863"	766.299176	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+2H"	2.014552
"573612"	1148.945126	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+2H"	2.014552
"1042411"	383.653226	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2H"	2.014552
"214693"	511.201876	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+3H"	3.021828
"654258"	766.299176	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+3H"	3.021828
"1173477"	256.104576	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+3H"	3.021828
"434561"	1548.617623	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+NH4"	18.033823
"795193"	2313.909523	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+NH4"	18.033823
"1689703"	783.325723	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+NH4"	18.033823
"342358"	774.8124495	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+H+NH4"	19.041099
"734778"	1157.4583995	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+H+NH4"	19.041099
"1482037"	392.1664995	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H+NH4"	19.041099
"394155"	1553.573018	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+Na"	22.989218
"757338"	2318.864918	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+Na"	22.989218
"1612005"	788.281118	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Na"	22.989218
"319855"	777.290147	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+H+Na"	23.996494
"715557"	1159.936097	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+H+Na"	23.996494
"1469379"	394.644197	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H+Na"	23.996494
"1062623"	263.43189	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2H+Na"	25.00377
"1266489"	798.325386	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+CH3OH+H"	33.033486
"381786"	1569.546958	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+K"	38.963158
"753714"	2334.838858	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+K"	38.963158
"1554671"	804.255058	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+K"	38.963158
"308571"	785.277117	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+H+K"	39.970434
"706462"	1167.923067	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+H+K"	39.970434
"1455906"	402.631167	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H+K"	39.970434
"248881"	1572.617626	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+ACN+H"	42.033826
"1218307"	807.325726	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+ACN+H"	42.033826
"1204379"	404.166501	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+ACN+2H"	43.041102
"195062"	1575.55496	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+2Na-H"	44.97116
"637904"	2340.84686	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+2Na-H"	44.97116
"1137038"	810.26306	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2Na-H"	44.97116
"185793"	788.281118	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+2Na"	45.978436
"626447"	1170.927068	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+2Na"	45.978436
"1130808"	405.635168	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2Na"	45.978436
"1413806"	270.759204	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H+2Na"	46.985712
"1444146"	812.304646	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H+HCOOH"	47.012746
"235505"	793.31414	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+3H2O+2H"	56.04448
"1523932"	826.35669	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+IsoProp+H"	61.06479
"424013"	796.268088	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+Na+K"	61.952376
"784037"	1178.914038	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+Na+K"	61.952376
"1680008"	413.622138	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Na+K"	61.952376
"262886"	1594.599568	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+ACN+Na"	64.015768
"1231949"	829.307668	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+ACN+Na"	64.015768
"1727397"	829.331193	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+NH4+HCOOH"	64.039293
"1189474"	278.086518	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+3Na"	68.967654
"1661553"	834.286588	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Na+HCOOH"	68.994688
"162943"	1607.50284	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+2K-H"	76.91904
"605786"	2372.79474	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+2K-H"	76.91904
"1088112"	842.21094	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2K-H"	76.91904
"149300"	804.255058	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"2M+2K"	77.926316
"591047"	1186.901008	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"3M+2K"	77.926316
"1079937"	421.609108	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2K"	77.926316
"1108771"	844.225492	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2K+H"	78.933592
"1341874"	844.313107	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+DMSO+H"	79.021207
"1014778"	848.352276	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2ACN+H"	83.060376
"1531810"	849.345908	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+IsoProp+Na+H"	84.054008
"996071"	424.679776	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+2ACN+2H"	84.067652
"1587294"	850.260528	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+K+HCOOH"	84.968628
"1418426"	880.292038	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+H+CF3COOH"	115.000138
"1147985"	445.193051	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+3ACN+2H"	125.094202
"1703736"	897.318585	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+NH4+CF3COOH"	132.026685
"1638294"	902.27398	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+Na+CF3COOH"	136.98208
"1576131"	918.24792	"C02574"	"O-Phosphoviomycin"	"C25H44N13O13P"	"765.2919"	"M+K+CF3COOH"	152.95602
"813064"	263.847	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M"	0
"980036"	244.82861	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-H2O-H"	-19.01839
"65000"	174.890724	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M-3H"	-3.021828
"504560"	262.839724	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M-3H"	-3.021828
"880535"	86.941724	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-3H"	-3.021828
"931"	262.839724	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M-2H"	-2.014552
"441953"	394.763224	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M-2H"	-2.014552
"819753"	130.916224	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-2H"	-2.014552
"80110"	526.686724	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M-H"	-1.007276
"521125"	790.533724	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M-H"	-1.007276
"898201"	262.839724	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-H"	-1.007276
"49051"	543.713271	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M-2H+NH4"	16.019271
"493965"	807.560271	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M-2H+NH4"	16.019271
"871767"	279.866271	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-2H+NH4"	16.019271
"32860"	548.668666	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M-2H+Na"	20.974666
"472296"	812.515666	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M-2H+Na"	20.974666
"849375"	284.821666	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-2H+Na"	20.974666
"1618909"	284.821666	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Na-2H"	20.974666
"96895"	280.828063	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M-H+Cl"	33.962126
"536821"	412.751563	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M-H+Cl"	33.962126
"928877"	148.904563	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-H+Cl"	33.962126
"270715"	562.663402	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+Cl"	34.969402
"662772"	826.510402	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+Cl"	34.969402
"1279554"	298.816402	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Cl"	34.969402
"24299"	564.642606	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M-2H+K"	36.948606
"462767"	828.489606	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M-2H+K"	36.948606
"843851"	300.795606	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-2H+K"	36.948606
"1559683"	300.795606	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+K-2H"	36.948606
"951942"	308.845194	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-H+HCOOH"	44.998194
"370156"	572.692201	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+HCOOH-H"	44.998201
"350759"	586.707851	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+Hac-H"	59.013851
"1496309"	322.860851	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Hac-H"	59.013851
"969319"	330.827151	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-H+NaCOOH"	66.980151
"113122"	298.816402	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+2Cl"	69.938804
"555600"	430.739902	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+2Cl"	69.938804
"1026585"	166.892902	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2Cl"	69.938804
"1246164"	342.765885	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Br"	78.918885
"1305332"	344.821872	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Cl+HCOOH"	80.974872
"1322097"	366.803829	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Cl+NaCOOH"	102.956829
"918261"	376.832586	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M-H+CF3COOH"	112.985586
"1298250"	412.809264	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Cl+CF3COOH"	148.962264
"1373132"	228.834324	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H-2H2O"	-35.012676
"1389536"	246.8443	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H-H2O"	-17.0027
"288129"	528.701276	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+H"	1.007276
"678363"	792.548276	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+H"	1.007276
"1356899"	264.854276	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H"	1.007276
"133067"	264.854276	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+2H"	2.014552
"572629"	396.777776	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+2H"	2.014552
"1041428"	132.930776	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2H"	2.014552
"210429"	176.905276	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+3H"	3.021828
"653271"	264.854276	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+3H"	3.021828
"1172494"	88.956276	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+3H"	3.021828
"435765"	545.727823	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+NH4"	18.033823
"795303"	809.574823	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+NH4"	18.033823
"1692000"	281.880823	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+NH4"	18.033823
"342104"	273.3675495	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+H+NH4"	19.041099
"733795"	405.2910495	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+H+NH4"	19.041099
"1487611"	141.4440495	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H+NH4"	19.041099
"394265"	550.683218	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+Na"	22.989218
"757450"	814.530218	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+Na"	22.989218
"1609929"	286.836218	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Na"	22.989218
"321058"	275.845247	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+H+Na"	23.996494
"715667"	407.768747	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+H+Na"	23.996494
"1470582"	143.921747	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H+Na"	23.996494
"1062369"	96.28359	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2H+Na"	25.00377
"1269515"	296.880486	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+CH3OH+H"	33.033486
"382988"	566.657158	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+K"	38.963158
"750544"	830.504158	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+K"	38.963158
"1551500"	302.810158	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+K"	38.963158
"312693"	283.832217	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+H+K"	39.970434
"707009"	415.755717	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+H+K"	39.970434
"1457839"	151.908717	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H+K"	39.970434
"248992"	569.727826	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+ACN+H"	42.033826
"1218417"	305.880826	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+ACN+H"	42.033826
"1201207"	153.444051	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+ACN+2H"	43.041102
"197359"	572.66516	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+2Na-H"	44.97116
"643242"	836.51216	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+2Na-H"	44.97116
"1138241"	308.81816	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2Na-H"	44.97116
"187243"	286.836218	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+2Na"	45.978436
"626804"	418.759718	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+2Na"	45.978436
"1130555"	154.912718	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2Na"	45.978436
"1410686"	103.610904	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H+2Na"	46.985712
"1442436"	310.859746	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H+HCOOH"	47.012746
"235044"	291.86924	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+3H2O+2H"	56.04448
"1523592"	324.91179	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+IsoProp+H"	61.06479
"423151"	294.823188	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+Na+K"	61.952376
"783784"	426.746688	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+Na+K"	61.952376
"1677197"	162.899688	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Na+K"	61.952376
"262996"	591.709768	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+ACN+Na"	64.015768
"1233152"	327.862768	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+ACN+Na"	64.015768
"1726049"	327.886293	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+NH4+HCOOH"	64.039293
"1190674"	110.938218	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+3Na"	68.967654
"1661661"	332.841688	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Na+HCOOH"	68.994688
"161961"	604.61304	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+2K-H"	76.91904
"602615"	868.46004	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+2K-H"	76.91904
"1086763"	340.76604	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2K-H"	76.91904
"147223"	302.810158	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"2M+2K"	77.926316
"588971"	434.733658	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"3M+2K"	77.926316
"1075673"	170.886658	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2K"	77.926316
"1108881"	342.780592	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2K+H"	78.933592
"1340890"	342.868207	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+DMSO+H"	79.021207
"1014888"	346.907376	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2ACN+H"	83.060376
"1534106"	347.901008	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+IsoProp+Na+H"	84.054008
"995089"	173.957326	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+2ACN+2H"	84.067652
"1587404"	348.815628	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+K+HCOOH"	84.968628
"1417444"	378.847138	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+H+CF3COOH"	115.000138
"1151014"	194.470601	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+3ACN+2H"	125.094202
"1703846"	395.873685	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+NH4+CF3COOH"	132.026685
"1638404"	400.82908	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+Na+CF3COOH"	136.98208
"1576241"	416.80302	"C02575"	"Pentachlorophenol;PCP"	"C6HCl5O"	"263.847"	"M+K+CF3COOH"	152.95602
"813175"	150.1045	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M"	0
"977960"	131.08611	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"67296"	99.0623906666667	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"503576"	149.097224	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"881008"	49.0275573333333	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"472"	149.097224	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"442064"	224.149474	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"818405"	74.044974	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"79855"	299.201724	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"521235"	449.306224	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"900499"	149.097224	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"49039"	316.228271	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"496262"	466.332771	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"872971"	166.123771	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"33213"	321.183666	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"475329"	471.288166	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"850941"	171.079166	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1619745"	171.079166	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"96271"	167.085563	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"539480"	242.137813	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"928987"	92.033313	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"269366"	335.178402	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"663979"	485.282902	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1279665"	185.073902	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"24409"	337.157606	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"465065"	487.262106	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"842867"	187.053106	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1559793"	187.053106	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"950957"	195.102694	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"366986"	345.207201	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"350139"	359.222851	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1496054"	209.118351	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"966149"	217.084651	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"112867"	185.073902	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"555710"	260.126152	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1024509"	110.021652	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1246273"	229.023385	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1306535"	231.079372	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1321478"	253.061329	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"917278"	263.090086	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1296174"	299.066764	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1371056"	115.091824	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1389646"	133.1018	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"287146"	301.216276	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"678473"	451.320776	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1354822"	151.111776	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H"	1.007276
"133177"	151.111776	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"576019"	226.164026	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1041901"	76.059526	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"211633"	101.076942666667	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"653384"	151.111776	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1171508"	51.0421093333333	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"433687"	318.242823	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"797964"	468.347323	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1692841"	168.138323	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"339300"	159.6250495	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"734997"	234.6772995	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1487722"	84.5727995	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"396561"	323.198218	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"758653"	473.302718	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1605666"	173.093718	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"320076"	162.102747	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"714684"	237.154997	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1469598"	87.050497	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1062479"	58.3694233333333	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1266709"	183.137986	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"384191"	339.172158	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"751383"	489.276658	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1551246"	189.067658	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+K"	38.963158
"312074"	170.089717	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"704495"	245.141967	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1453940"	95.037467	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"246550"	342.242826	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1219619"	192.138326	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1200224"	96.572801	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"197470"	345.18016	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"642624"	495.28466	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1138351"	195.07566	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"186013"	173.093718	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"625211"	248.145968	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1126895"	98.041468	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1412486"	65.6967373333333	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1443275"	197.117246	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"235156"	178.12674	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1522972"	211.16929	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"423627"	181.080688	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"783896"	256.132938	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1679134"	106.028438	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"263107"	364.224768	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1233262"	214.120268	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1726889"	214.143793	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1189692"	73.0240513333333	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1663351"	219.099188	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"160977"	377.12804	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"604913"	527.23254	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1087602"	227.02354	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"146239"	189.067658	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"589080"	264.119908	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1075783"	114.015408	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1113976"	229.038092	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1337720"	229.125707	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1011718"	233.164876	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1534218"	234.158508	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"998479"	117.086076	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1587513"	235.073128	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1414757"	265.104638	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1151124"	137.599351	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1700676"	282.131185	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1635233"	287.08658	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1576351"	303.06052	"C02576"	"Perillyl aldehyde;Perillaldehyde"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"812191"	901.152	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M"	0
"983537"	882.13361	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H2O-H"	-19.01839
"72872"	599.760724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-3H"	-3.021828
"505873"	900.144724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-3H"	-3.021828
"881487"	299.376724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-3H"	-3.021828
"466"	900.144724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H"	-2.014552
"441444"	1350.720724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H"	-2.014552
"818146"	449.568724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H"	-2.014552
"80204"	1801.296724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H"	-1.007276
"522438"	2702.448724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H"	-1.007276
"900609"	900.144724	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H"	-1.007276
"49881"	1818.323271	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+NH4"	16.019271
"496374"	2719.475271	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+NH4"	16.019271
"874177"	917.171271	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+NH4"	16.019271
"41711"	1823.278666	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+Na"	20.974666
"477263"	2724.430666	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+Na"	20.974666
"850197"	922.126666	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+Na"	20.974666
"1620950"	922.126666	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na-2H"	20.974666
"95656"	918.133063	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H+Cl"	33.962126
"539591"	1368.709063	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H+Cl"	33.962126
"930921"	467.557063	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+Cl"	33.962126
"271664"	1837.273402	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Cl"	34.969402
"665181"	2738.425402	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Cl"	34.969402
"1277588"	936.121402	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl"	34.969402
"24519"	1839.252606	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+K"	36.948606
"462988"	2740.404606	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+K"	36.948606
"844071"	938.100606	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+K"	36.948606
"1558810"	938.100606	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K-2H"	36.948606
"953254"	946.150194	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+HCOOH"	44.998194
"373656"	1847.302201	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+HCOOH-H"	44.998201
"352072"	1861.317851	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Hac-H"	59.013851
"1499810"	960.165851	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Hac-H"	59.013851
"966256"	968.132151	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+NaCOOH"	66.980151
"115166"	936.121402	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Cl"	69.938804
"555820"	1386.697402	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Cl"	69.938804
"1025712"	485.545402	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Cl"	69.938804
"1245290"	980.070885	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Br"	78.918885
"1308831"	982.126872	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+HCOOH"	80.974872
"1323046"	1004.108829	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+NaCOOH"	102.956829
"917388"	1014.137586	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+CF3COOH"	112.985586
"1296284"	1050.114264	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+CF3COOH"	148.962264
"1372259"	866.139324	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-2H2O"	-35.012676
"1390849"	884.1493	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-H2O"	-17.0027
"289443"	1803.311276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H"	1.007276
"679677"	2704.463276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H"	1.007276
"1354932"	902.159276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H"	1.007276
"131101"	902.159276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2H"	2.014552
"576129"	1352.735276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2H"	2.014552
"1043834"	451.583276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H"	2.014552
"213930"	601.775276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H"	3.021828
"651307"	902.159276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+3H"	3.021828
"1172712"	301.391276	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3H"	3.021828
"434889"	1820.337823	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+NH4"	18.033823
"798076"	2721.489823	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+NH4"	18.033823
"1693316"	919.185823	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4"	18.033823
"342325"	910.6725495	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+NH4"	19.041099
"736566"	1361.2485495	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+NH4"	19.041099
"1488924"	460.0965495	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+NH4"	19.041099
"397766"	1825.293218	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na"	22.989218
"759856"	2726.445218	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na"	22.989218
"1606869"	924.141218	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na"	22.989218
"320186"	913.150247	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+Na"	23.996494
"714794"	1363.726247	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+Na"	23.996494
"1466427"	462.574247	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+Na"	23.996494
"1059672"	308.71859	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H+Na"	25.00377
"1267913"	934.185486	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+CH3OH+H"	33.033486
"385395"	1841.267158	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+K"	38.963158
"752952"	2742.419158	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+K"	38.963158
"1551720"	940.115158	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K"	38.963158
"311452"	921.137217	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+K"	39.970434
"704241"	1371.713217	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+K"	39.970434
"1455873"	470.561217	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+K"	39.970434
"245931"	1844.337826	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+H"	42.033826
"1220824"	943.185826	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+H"	42.033826
"1201428"	472.096551	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+2H"	43.041102
"197580"	1847.27516	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na-H"	44.97116
"643342"	2748.42716	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na-H"	44.97116
"1145510"	946.12316	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na-H"	44.97116
"182843"	924.141218	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na"	45.978436
"624226"	1374.717218	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na"	45.978436
"1127004"	473.565218	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na"	45.978436
"1412595"	316.045904	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+2Na"	46.985712
"1444598"	948.164746	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+HCOOH"	47.012746
"234662"	929.17424	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H2O+2H"	56.04448
"1523330"	962.21679	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+H"	61.06479
"423860"	932.128188	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na+K"	61.952376
"783890"	1382.704188	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na+K"	61.952376
"1678881"	481.552188	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+K"	61.952376
"261760"	1866.319768	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+Na"	64.015768
"1236289"	965.167768	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+Na"	64.015768
"1725176"	965.191293	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+HCOOH"	64.039293
"1188709"	323.373218	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3Na"	68.967654
"1663582"	970.146688	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+HCOOH"	68.994688
"166556"	1879.22304	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K-H"	76.91904
"605023"	2780.37504	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K-H"	76.91904
"1086256"	978.07104	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K-H"	76.91904
"146350"	940.115158	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K"	77.926316
"589191"	1390.691158	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K"	77.926316
"1078082"	489.539158	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K"	77.926316
"1114572"	980.085592	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K+H"	78.933592
"1343299"	980.173207	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+DMSO+H"	79.021207
"1018389"	984.212376	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+H"	83.060376
"1532144"	985.206008	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+Na+H"	84.054008
"992028"	492.609826	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+2H"	84.067652
"1587743"	986.120628	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+HCOOH"	84.968628
"1415839"	1016.152138	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+CF3COOH"	115.000138
"1150141"	513.123101	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3ACN+2H"	125.094202
"1700786"	1033.178685	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+CF3COOH"	132.026685
"1635343"	1038.13408	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+CF3COOH"	136.98208
"1576461"	1054.10802	"C02577"	"Phenoxyacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+CF3COOH"	152.95602
"814487"	256.0947	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M"	0
"980366"	237.07631	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-H2O-H"	-19.01839
"66422"	169.722524	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M-3H"	-3.021828
"504890"	255.087424	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M-3H"	-3.021828
"881232"	84.357624	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-3H"	-3.021828
"411"	255.087424	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M-2H"	-2.014552
"440824"	383.134774	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M-2H"	-2.014552
"818500"	127.040074	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-2H"	-2.014552
"79465"	511.182124	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M-H"	-1.007276
"522911"	767.276824	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M-H"	-1.007276
"897191"	255.087424	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-H"	-1.007276
"49991"	528.208671	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M-2H+NH4"	16.019271
"490281"	784.303371	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M-2H+NH4"	16.019271
"874283"	272.113971	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-2H+NH4"	16.019271
"42185"	533.164066	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M-2H+Na"	20.974666
"472993"	789.258766	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M-2H+Na"	20.974666
"850308"	277.069366	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-2H+Na"	20.974666
"1622152"	277.069366	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Na-2H"	20.974666
"98682"	273.075763	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M-H+Cl"	33.962126
"539701"	401.123113	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M-H+Cl"	33.962126
"932125"	145.028413	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-H+Cl"	33.962126
"271775"	547.158802	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+Cl"	34.969402
"667477"	803.253502	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+Cl"	34.969402
"1280978"	291.064102	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Cl"	34.969402
"20253"	549.138006	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M-2H+K"	36.948606
"459814"	805.232706	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M-2H+K"	36.948606
"837620"	293.043306	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-2H+K"	36.948606
"1561105"	293.043306	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+K-2H"	36.948606
"950083"	301.092894	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-H+HCOOH"	44.998194
"371579"	557.187601	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+HCOOH-H"	44.998201
"353276"	571.203251	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+Hac-H"	59.013851
"1499191"	315.108551	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Hac-H"	59.013851
"967462"	323.074851	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-H+NaCOOH"	66.980151
"118556"	291.064102	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+2Cl"	69.938804
"553743"	419.111452	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+2Cl"	69.938804
"1028009"	163.016752	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2Cl"	69.938804
"1248679"	335.013585	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Br"	78.918885
"1306756"	337.069572	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Cl+HCOOH"	80.974872
"1325344"	359.051529	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Cl+NaCOOH"	102.956829
"919684"	369.080286	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M-H+CF3COOH"	112.985586
"1292019"	405.056964	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Cl+CF3COOH"	148.962264
"1372370"	221.082024	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H-2H2O"	-35.012676
"1392053"	239.092	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H-H2O"	-17.0027
"291742"	513.196676	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+H"	1.007276
"685256"	769.291376	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+H"	1.007276
"1356135"	257.101976	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H"	1.007276
"132306"	257.101976	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+2H"	2.014552
"570773"	385.149326	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+2H"	2.014552
"1039933"	129.054626	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2H"	2.014552
"212947"	171.737076	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+3H"	3.021828
"653604"	257.101976	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+3H"	3.021828
"1170636"	86.372176	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+3H"	3.021828
"432814"	530.223223	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+NH4"	18.033823
"799645"	786.317923	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+NH4"	18.033823
"1692333"	274.128523	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+NH4"	18.033823
"341705"	265.6152495	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+H+NH4"	19.041099
"734126"	393.6625995	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+H+NH4"	19.041099
"1488672"	137.5678995	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H+NH4"	19.041099
"396783"	535.178618	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+Na"	22.989218
"759968"	791.273318	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+Na"	22.989218
"1606976"	279.083918	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Na"	22.989218
"320293"	268.092947	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+H+Na"	23.996494
"712717"	396.140297	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+H+Na"	23.996494
"1468724"	140.045597	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H+Na"	23.996494
"1056502"	93.69949	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2H+Na"	25.00377
"1261462"	289.128186	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+CH3OH+H"	33.033486
"384410"	551.152558	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+K"	38.963158
"748687"	807.247258	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+K"	38.963158
"1550740"	295.057858	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+K"	38.963158
"306821"	276.079917	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+H+K"	39.970434
"701429"	404.127267	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+H+K"	39.970434
"1454157"	148.032567	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H+K"	39.970434
"244945"	554.223226	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+ACN+H"	42.033826
"1214372"	298.128526	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+ACN+H"	42.033826
"1205911"	149.567901	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+ACN+2H"	43.041102
"202063"	557.16056	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+2Na-H"	44.97116
"643205"	813.25526	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+2Na-H"	44.97116
"1144037"	301.06586	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2Na-H"	44.97116
"182953"	279.083918	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+2Na"	45.978436
"622513"	407.131268	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+2Na"	45.978436
"1123834"	151.036568	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2Na"	45.978436
"1413191"	101.026804	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H+2Na"	46.985712
"1445114"	303.107446	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H+HCOOH"	47.012746
"235417"	284.11694	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+3H2O+2H"	56.04448
"1523642"	317.15949	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+IsoProp+H"	61.06479
"423855"	287.070888	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+Na+K"	61.952376
"784484"	415.118238	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+Na+K"	61.952376
"1679477"	159.023538	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Na+K"	61.952376
"264057"	576.205168	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+ACN+Na"	64.015768
"1237492"	320.110468	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+ACN+Na"	64.015768
"1727718"	320.133993	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+NH4+HCOOH"	64.039293
"1189910"	108.354118	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+3Na"	68.967654
"1661990"	325.089388	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Na+HCOOH"	68.994688
"168854"	589.10844	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+2K-H"	76.91904
"604039"	845.20314	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+2K-H"	76.91904
"1087459"	333.01374	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2K-H"	76.91904
"147553"	295.057858	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"2M+2K"	77.926316
"589302"	423.105208	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"3M+2K"	77.926316
"1077096"	167.010508	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2K"	77.926316
"1115047"	335.028292	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2K+H"	78.933592
"1345596"	335.115907	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+DMSO+H"	79.021207
"1017771"	339.155076	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2ACN+H"	83.060376
"1535534"	340.148708	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+IsoProp+Na+H"	84.054008
"992138"	170.081176	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+2ACN+2H"	84.067652
"1591015"	341.063328	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+K+HCOOH"	84.968628
"1416678"	371.094838	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+H+CF3COOH"	115.000138
"1153532"	190.594451	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+3ACN+2H"	125.094202
"1704177"	388.121385	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+NH4+CF3COOH"	132.026685
"1638733"	393.07678	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+Na+CF3COOH"	136.98208
"1579851"	409.05072	"C02578"	"Phenylgalactoside"	"C12H16O6"	"256.0947"	"M+K+CF3COOH"	152.95602
"816759"	186.1481	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M"	0
"983757"	167.12971	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-H2O-H"	-19.01839
"73092"	123.091457333333	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M-3H"	-3.021828
"503662"	185.140824	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M-3H"	-3.021828
"881342"	61.0420906666667	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-3H"	-3.021828
"1128"	185.140824	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M-2H"	-2.014552
"442754"	278.214874	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M-2H"	-2.014552
"819462"	92.066774	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-2H"	-2.014552
"83462"	371.288924	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M-H"	-1.007276
"523750"	557.437024	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M-H"	-1.007276
"897059"	185.140824	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-H"	-1.007276
"49003"	388.315471	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M-2H+NH4"	16.019271
"494403"	574.463571	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M-2H+NH4"	16.019271
"877677"	202.167371	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-2H+NH4"	16.019271
"36464"	393.270866	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M-2H+Na"	20.974666
"475296"	579.418966	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M-2H+Na"	20.974666
"850177"	207.122766	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-2H+Na"	20.974666
"1621898"	207.122766	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Na-2H"	20.974666
"106811"	203.129163	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M-H+Cl"	33.962126
"549615"	296.203213	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M-H+Cl"	33.962126
"930412"	110.055113	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-H+Cl"	33.962126
"272979"	407.265602	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+Cl"	34.969402
"665765"	593.413702	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+Cl"	34.969402
"1283275"	221.117502	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Cl"	34.969402
"28018"	409.244806	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M-2H+K"	36.948606
"462113"	595.392906	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M-2H+K"	36.948606
"835539"	223.096706	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-2H+K"	36.948606
"1561216"	223.096706	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+K-2H"	36.948606
"948004"	231.146294	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-H+HCOOH"	44.998194
"374969"	417.294401	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+HCOOH-H"	44.998201
"357759"	431.310051	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+Hac-H"	59.013851
"1506592"	245.161951	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Hac-H"	59.013851
"972678"	253.128251	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-H+NaCOOH"	66.980151
"120852"	221.117502	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+2Cl"	69.938804
"558224"	314.191552	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+2Cl"	69.938804
"1035773"	128.043452	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2Cl"	69.938804
"1252069"	265.066985	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Br"	78.918885
"1315612"	267.122972	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Cl+HCOOH"	80.974872
"1326549"	289.104929	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Cl+NaCOOH"	102.956829
"919791"	299.133686	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M-H+CF3COOH"	112.985586
"1292494"	335.110364	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Cl+CF3COOH"	148.962264
"1372478"	151.135424	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H-2H2O"	-35.012676
"1393257"	169.1454	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H-H2O"	-17.0027
"294037"	373.303476	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+H"	1.007276
"687553"	559.451576	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+H"	1.007276
"1359528"	187.155376	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H"	1.007276
"134603"	187.155376	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+2H"	2.014552
"570883"	280.229426	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+2H"	2.014552
"1043332"	94.081326	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2H"	2.014552
"214153"	125.106009333333	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+3H"	3.021828
"657723"	187.155376	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+3H"	3.021828
"1174026"	63.0566426666667	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+3H"	3.021828
"435111"	390.330023	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+NH4"	18.033823
"799023"	576.478123	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+NH4"	18.033823
"1694261"	204.181923	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+NH4"	18.033823
"342909"	195.6686495	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+H+NH4"	19.041099
"736422"	288.7426995	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+H+NH4"	19.041099
"1480764"	102.5945995	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H+NH4"	19.041099
"396891"	395.285418	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+Na"	22.989218
"755213"	581.433518	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+Na"	22.989218
"1608181"	209.137318	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Na"	22.989218
"318215"	198.146347	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+H+Na"	23.996494
"712825"	291.220397	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+H+Na"	23.996494
"1463727"	105.072297	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H+Na"	23.996494
"1057337"	70.3839566666667	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2H+Na"	25.00377
"1259381"	219.181586	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+CH3OH+H"	33.033486
"380145"	411.259358	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+K"	38.963158
"745514"	597.407458	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+K"	38.963158
"1548660"	225.111258	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+K"	38.963158
"308026"	206.133317	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+H+K"	39.970434
"698258"	299.207367	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+H+K"	39.970434
"1455361"	113.059267	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H+K"	39.970434
"241775"	414.330026	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+ACN+H"	42.033826
"1215942"	228.181926	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+ACN+H"	42.033826
"1206021"	114.594601	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+ACN+2H"	43.041102
"203267"	417.26736	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+2Na-H"	44.97116
"643559"	603.41546	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+2Na-H"	44.97116
"1143052"	231.11926	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2Na-H"	44.97116
"183061"	209.137318	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+2Na"	45.978436
"628296"	302.211368	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+2Na"	45.978436
"1129409"	116.063268	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2Na"	45.978436
"1407467"	77.7112706666667	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H+2Na"	46.985712
"1445506"	233.160846	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H+HCOOH"	47.012746
"235233"	214.17034	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+3H2O+2H"	56.04448
"1524148"	247.21289	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+IsoProp+H"	61.06479
"421400"	217.124288	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+Na+K"	61.952376
"781314"	310.198338	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+Na+K"	61.952376
"1677650"	124.050238	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Na+K"	61.952376
"261983"	436.311968	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+ACN+Na"	64.015768
"1234692"	250.163868	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+ACN+Na"	64.015768
"1726856"	250.187393	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+NH4+HCOOH"	64.039293
"1191114"	85.0385846666667	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+3Na"	68.967654
"1663197"	255.142788	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Na+HCOOH"	68.994688
"166778"	449.21524	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+2K-H"	76.91904
"606335"	635.36334	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+2K-H"	76.91904
"1090849"	263.06714	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2K-H"	76.91904
"149850"	225.111258	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"2M+2K"	77.926316
"591600"	318.185308	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"3M+2K"	77.926316
"1079396"	132.037208	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2K"	77.926316
"1111508"	265.081692	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2K+H"	78.933592
"1339145"	265.169307	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+DMSO+H"	79.021207
"1018609"	269.208476	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2ACN+H"	83.060376
"1527257"	270.202108	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+IsoProp+Na+H"	84.054008
"992613"	135.107876	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+2ACN+2H"	84.067652
"1592220"	271.116728	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+K+HCOOH"	84.968628
"1417883"	301.148238	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+H+CF3COOH"	115.000138
"1156921"	155.621151	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+3ACN+2H"	125.094202
"1707567"	318.174785	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+NH4+CF3COOH"	132.026685
"1647592"	323.13018	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+Na+CF3COOH"	136.98208
"1586521"	339.10412	"C02581"	"Propanoylagmatine;Propionylagmatine"	"C8H18N4O"	"186.1481"	"M+K+CF3COOH"	152.95602
"811429"	221.0913	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M"	0
"977306"	202.07291	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-H2O-H"	-19.01839
"66642"	146.386924	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M-3H"	-3.021828
"503406"	220.084024	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M-3H"	-3.021828
"882182"	72.689824	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-3H"	-3.021828
"3674"	220.084024	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M-2H"	-2.014552
"440676"	330.629674	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M-2H"	-2.014552
"817747"	109.538374	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-2H"	-2.014552
"81022"	441.175324	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M-H"	-1.007276
"519851"	662.266624	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M-H"	-1.007276
"896199"	220.084024	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-H"	-1.007276
"58235"	458.201871	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M-2H+NH4"	16.019271
"499984"	679.293171	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M-2H+NH4"	16.019271
"875600"	237.110571	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-2H+NH4"	16.019271
"44229"	463.157266	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M-2H+Na"	20.974666
"483060"	684.248566	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M-2H+Na"	20.974666
"858675"	242.065966	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-2H+Na"	20.974666
"1629301"	242.065966	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Na-2H"	20.974666
"106924"	238.072363	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M-H+Cl"	33.962126
"544297"	348.618013	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M-H+Cl"	33.962126
"935624"	127.526713	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-H+Cl"	33.962126
"276368"	477.152002	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+Cl"	34.969402
"670978"	698.243302	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+Cl"	34.969402
"1279010"	256.060702	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Cl"	34.969402
"22660"	479.131206	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M-2H+K"	36.948606
"462221"	700.222506	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M-2H+K"	36.948606
"843302"	258.039906	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-2H+K"	36.948606
"1563508"	258.039906	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+K-2H"	36.948606
"948113"	266.089494	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-H+HCOOH"	44.998194
"373986"	487.180801	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+HCOOH-H"	44.998201
"358963"	501.196451	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+Hac-H"	59.013851
"1505609"	280.105151	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Hac-H"	59.013851
"968772"	288.071451	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-H+NaCOOH"	66.980151
"118773"	256.060702	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+2Cl"	69.938804
"561615"	366.606352	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+2Cl"	69.938804
"1031507"	145.515052	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2Cl"	69.938804
"1247806"	300.010185	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Br"	78.918885
"1312440"	302.066172	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Cl+HCOOH"	80.974872
"1322283"	324.048129	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Cl+NaCOOH"	102.956829
"912976"	334.076886	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M-H+CF3COOH"	112.985586
"1292239"	370.053564	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Cl+CF3COOH"	148.962264
"1368214"	186.078624	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H-2H2O"	-35.012676
"1393367"	204.0886	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H-H2O"	-17.0027
"294147"	443.189876	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+H"	1.007276
"681100"	664.281176	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+H"	1.007276
"1358545"	222.098576	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H"	1.007276
"127788"	222.098576	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+2H"	2.014552
"577558"	332.644226	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+2H"	2.014552
"1046358"	111.552926	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2H"	2.014552
"212077"	148.401476	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+3H"	3.021828
"657105"	222.098576	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+3H"	3.021828
"1175230"	74.704376	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+3H"	3.021828
"435221"	460.216423	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+NH4"	18.033823
"798407"	681.307723	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+NH4"	18.033823
"1693642"	239.125123	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+NH4"	18.033823
"341196"	230.6118495	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+H+NH4"	19.041099
"731067"	341.1574995	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+H+NH4"	19.041099
"1480145"	120.0661995	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H+NH4"	19.041099
"397002"	465.171818	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+Na"	22.989218
"756175"	686.263118	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+Na"	22.989218
"1607189"	244.080518	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Na"	22.989218
"318322"	233.089547	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+H+Na"	23.996494
"709648"	343.635197	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+H+Na"	23.996494
"1465658"	122.543897	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H+Na"	23.996494
"1059996"	82.03169	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2H+Na"	25.00377
"1257103"	254.124786	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+CH3OH+H"	33.033486
"378429"	481.145758	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+K"	38.963158
"741250"	702.237058	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+K"	38.963158
"1544396"	260.054458	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+K"	38.963158
"304852"	241.076517	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+H+K"	39.970434
"695819"	351.622167	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+H+K"	39.970434
"1448910"	130.530867	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H+K"	39.970434
"241885"	484.216426	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+ACN+H"	42.033826
"1217874"	263.125126	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+ACN+H"	42.033826
"1205037"	132.066201	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+ACN+2H"	43.041102
"197908"	487.15376	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+2Na-H"	44.97116
"633458"	708.24506	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+2Na-H"	44.97116
"1138787"	266.06246	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2Na-H"	44.97116
"177339"	244.080518	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+2Na"	45.978436
"627105"	354.626168	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+2Na"	45.978436
"1124053"	133.534868	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2Na"	45.978436
"1407577"	89.359004	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H+2Na"	46.985712
"1444069"	268.104046	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H+HCOOH"	47.012746
"228296"	249.11354	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+3H2O+2H"	56.04448
"1523535"	282.15609	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+IsoProp+H"	61.06479
"421521"	252.067488	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+Na+K"	61.952376
"779240"	362.613138	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+Na+K"	61.952376
"1672291"	141.521838	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Na+K"	61.952376
"264276"	506.198368	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+ACN+Na"	64.015768
"1240632"	285.107068	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+ACN+Na"	64.015768
"1726603"	285.130593	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+NH4+HCOOH"	64.039293
"1193417"	96.686318	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+3Na"	68.967654
"1663304"	290.085988	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Na+HCOOH"	68.994688
"171262"	519.10164	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+2K-H"	76.91904
"609729"	740.19294	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+2K-H"	76.91904
"1095336"	298.01034	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2K-H"	76.91904
"155434"	260.054458	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"2M+2K"	77.926316
"593901"	370.600108	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"3M+2K"	77.926316
"1076224"	149.508808	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2K"	77.926316
"1102141"	300.024892	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2K+H"	78.933592
"1345819"	300.112507	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+DMSO+H"	79.021207
"1017629"	304.151676	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2ACN+H"	83.060376
"1537697"	305.145308	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+IsoProp+Na+H"	84.054008
"1001106"	152.579476	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+2ACN+2H"	84.067652
"1592332"	306.059928	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+K+HCOOH"	84.968628
"1420181"	336.091438	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+H+CF3COOH"	115.000138
"1150466"	173.092751	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+3ACN+2H"	125.094202
"1707675"	353.117985	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+NH4+CF3COOH"	132.026685
"1647703"	358.07338	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+Na+CF3COOH"	136.98208
"1572417"	374.04732	"C02587"	"Pyrimidodiazepine;2-Amino-6-acetyl-3789-tetrahydro-3H-pyrimido45-b14diazepin-4-one"	"C9H11N5O2"	"221.0913"	"M+K+CF3COOH"	152.95602
"813726"	524.4593	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M"	0
"980697"	505.44091	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-H2O-H"	-19.01839
"63472"	348.632257333333	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M-3H"	-3.021828
"505220"	523.452024	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M-3H"	-3.021828
"881928"	173.812490666667	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-3H"	-3.021828
"2691"	523.452024	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M-2H"	-2.014552
"441878"	785.681674	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M-2H"	-2.014552
"818952"	261.222374	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-2H"	-2.014552
"81132"	1047.911324	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M-H"	-1.007276
"520689"	1572.370624	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M-H"	-1.007276
"897157"	523.452024	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-H"	-1.007276
"58345"	1064.937871	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M-2H+NH4"	16.019271
"499001"	1589.397171	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M-2H+NH4"	16.019271
"875709"	540.478571	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-2H+NH4"	16.019271
"43609"	1069.893266	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M-2H+Na"	20.974666
"484263"	1594.352566	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M-2H+Na"	20.974666
"858785"	545.433966	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-2H+Na"	20.974666
"1629411"	545.433966	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Na-2H"	20.974666
"101567"	541.440363	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M-H+Cl"	33.962126
"543314"	803.670013	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M-H+Cl"	33.962126
"934641"	279.210713	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-H+Cl"	33.962126
"272105"	1083.888002	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+Cl"	34.969402
"667808"	1608.347302	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+Cl"	34.969402
"1281307"	559.428702	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Cl"	34.969402
"21677"	1085.867206	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M-2H+K"	36.948606
"462331"	1610.326506	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M-2H+K"	36.948606
"840132"	561.407906	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-2H+K"	36.948606
"1561432"	561.407906	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+K-2H"	36.948606
"948223"	569.457494	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-H+HCOOH"	44.998194
"374462"	1093.916801	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+HCOOH-H"	44.998201
"359439"	1107.932451	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+Hac-H"	59.013851
"1506083"	583.473151	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Hac-H"	59.013851
"970705"	591.439451	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-H+NaCOOH"	66.980151
"118883"	559.428702	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+2Cl"	69.938804
"561725"	821.658352	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+2Cl"	69.938804
"1031617"	297.199052	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2Cl"	69.938804
"1247916"	603.378185	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Br"	78.918885
"1312550"	605.434172	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Cl+HCOOH"	80.974872
"1323485"	627.416129	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Cl+NaCOOH"	102.956829
"913815"	637.444886	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M-H+CF3COOH"	112.985586
"1290162"	673.421564	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Cl+CF3COOH"	148.962264
"1367714"	489.446624	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H-2H2O"	-35.012676
"1391290"	507.4566	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H-H2O"	-17.0027
"293164"	1049.925876	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+H"	1.007276
"680118"	1574.385176	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+H"	1.007276
"1356465"	525.466576	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H"	1.007276
"129355"	525.466576	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+2H"	2.014552
"572198"	787.696226	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+2H"	2.014552
"1043188"	263.236926	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2H"	2.014552
"214374"	350.646809333333	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+3H"	3.021828
"655027"	525.466576	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+3H"	3.021828
"1173153"	175.827042666667	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+3H"	3.021828
"433144"	1066.952423	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+NH4"	18.033823
"799607"	1591.411723	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+NH4"	18.033823
"1693752"	542.493123	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+NH4"	18.033823
"342763"	533.9798495	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+H+NH4"	19.041099
"735546"	796.2094995	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+H+NH4"	19.041099
"1479529"	271.7501995	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H+NH4"	19.041099
"396020"	1071.907818	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+Na"	22.989218
"759201"	1596.367118	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+Na"	22.989218
"1610579"	547.448518	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Na"	22.989218
"320619"	536.457547	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+H+Na"	23.996494
"711946"	798.687197	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+H+Na"	23.996494
"1469049"	274.227897	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H+Na"	23.996494
"1061202"	183.154356666667	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2H+Na"	25.00377
"1257410"	557.492786	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+CH3OH+H"	33.033486
"378905"	1087.881758	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+K"	38.963158
"741724"	1612.341058	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+K"	38.963158
"1546693"	563.422458	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+K"	38.963158
"303870"	544.444517	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+H+K"	39.970434
"696294"	806.674167	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+H+K"	39.970434
"1449384"	282.214867	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H+K"	39.970434
"241995"	1090.952426	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+ACN+H"	42.033826
"1219077"	566.493126	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+ACN+H"	42.033826
"1204054"	283.750201	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+ACN+2H"	43.041102
"195831"	1093.88976	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+2Na-H"	44.97116
"634661"	1618.34906	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+2Na-H"	44.97116
"1136710"	569.43046	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2Na-H"	44.97116
"177449"	547.448518	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+2Na"	45.978436
"623935"	809.678168	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+2Na"	45.978436
"1124163"	285.218868	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2Na"	45.978436
"1407687"	190.481670666667	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H+2Na"	46.985712
"1442724"	571.472046	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H+HCOOH"	47.012746
"229499"	552.48154	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+3H2O+2H"	56.04448
"1522673"	585.52409	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+IsoProp+H"	61.06479
"419080"	555.435488	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+Na+K"	61.952376
"779350"	817.665138	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+Na+K"	61.952376
"1675681"	293.205838	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Na+K"	61.952376
"263292"	1112.934368	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+ACN+Na"	64.015768
"1239283"	588.475068	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+ACN+Na"	64.015768
"1727076"	588.498593	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+NH4+HCOOH"	64.039293
"1193526"	197.808984666667	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+3Na"	68.967654
"1663414"	593.453988	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Na+HCOOH"	68.994688
"170278"	1125.83764	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+2K-H"	76.91904
"608746"	1650.29694	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+2K-H"	76.91904
"1096540"	601.37834	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2K-H"	76.91904
"156761"	563.422458	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"2M+2K"	77.926316
"596773"	825.652108	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"3M+2K"	77.926316
"1074147"	301.192808	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2K"	77.926316
"1112826"	603.392892	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2K+H"	78.933592
"1349211"	603.480507	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+DMSO+H"	79.021207
"1018833"	607.519676	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2ACN+H"	83.060376
"1539144"	608.513308	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+IsoProp+Na+H"	84.054008
"1001216"	304.263476	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+2ACN+2H"	84.067652
"1592442"	609.427928	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+K+HCOOH"	84.968628
"1421384"	639.459438	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+H+CF3COOH"	115.000138
"1149484"	324.776751	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+3ACN+2H"	125.094202
"1704505"	656.485985	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+NH4+CF3COOH"	132.026685
"1649716"	661.44138	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+Na+CF3COOH"	136.98208
"1572527"	677.41532	"C02588"	"Retinyl palmitate;Vitamin A palmitate;all-trans-Retinyl palmitate;Retinol palmitate"	"C36H60O2"	"524.4593"	"M+K+CF3COOH"	152.95602
"812742"	336.1395	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M"	0
"980806"	317.12111	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-H2O-H"	-19.01839
"66862"	223.085724	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M-3H"	-3.021828
"512984"	335.132224	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M-3H"	-3.021828
"885318"	111.039224	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-3H"	-3.021828
"976"	335.132224	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M-2H"	-2.014552
"441625"	503.201974	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M-2H"	-2.014552
"819788"	167.062474	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-2H"	-2.014552
"79784"	671.271724	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M-H"	-1.007276
"519711"	1007.411224	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M-H"	-1.007276
"901893"	335.132224	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-H"	-1.007276
"59553"	688.298271	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M-2H+NH4"	16.019271
"499113"	1024.437771	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M-2H+NH4"	16.019271
"873633"	352.158771	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-2H+NH4"	16.019271
"40440"	693.253666	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M-2H+Na"	20.974666
"477815"	1029.393166	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M-2H+Na"	20.974666
"858895"	357.114166	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-2H+Na"	20.974666
"1621138"	357.114166	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Na-2H"	20.974666
"99489"	353.120563	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M-H+Cl"	33.962126
"541237"	521.190313	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M-H+Cl"	33.962126
"928313"	185.050813	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-H+Cl"	33.962126
"267964"	707.248402	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+Cl"	34.969402
"664641"	1043.387902	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+Cl"	34.969402
"1280324"	371.108902	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Cl"	34.969402
"18505"	709.227606	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M-2H+K"	36.948606
"459160"	1045.367106	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M-2H+K"	36.948606
"834286"	373.088106	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-2H+K"	36.948606
"1564825"	373.088106	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+K-2H"	36.948606
"950522"	381.137694	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-H+HCOOH"	44.998194
"372018"	717.277201	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+HCOOH-H"	44.998201
"355903"	731.292851	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+Hac-H"	59.013851
"1499267"	395.153351	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Hac-H"	59.013851
"965713"	403.119651	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-H+NaCOOH"	66.980151
"116808"	371.108902	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+2Cl"	69.938804
"558554"	539.178652	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+2Cl"	69.938804
"1029540"	203.039152	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2Cl"	69.938804
"1246931"	415.058385	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Br"	78.918885
"1304201"	417.114372	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Cl+HCOOH"	80.974872
"1321533"	439.096329	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Cl+NaCOOH"	102.956829
"915747"	449.125086	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M-H+CF3COOH"	112.985586
"1289091"	485.101764	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Cl+CF3COOH"	148.962264
"1367499"	301.126824	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H-2H2O"	-35.012676
"1383494"	319.1368	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H-H2O"	-17.0027
"288900"	673.286276	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+H"	1.007276
"679133"	1009.425776	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+H"	1.007276
"1355484"	337.146776	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H"	1.007276
"126911"	337.146776	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+2H"	2.014552
"566957"	505.216526	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+2H"	2.014552
"1038919"	169.077026	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2H"	2.014552
"210103"	225.100276	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+3H"	3.021828
"647109"	337.146776	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+3H"	3.021828
"1168886"	113.053776	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+3H"	3.021828
"427787"	690.312823	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+NH4"	18.033823
"790967"	1026.452323	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+NH4"	18.033823
"1688394"	354.173323	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+NH4"	18.033823
"344327"	345.6600495	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+H+NH4"	19.041099
"735659"	513.7297995	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+H+NH4"	19.041099
"1489475"	177.5902995	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H+NH4"	19.041099
"397223"	695.268218	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+Na"	22.989218
"761498"	1031.407718	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+Na"	22.989218
"1607412"	359.128718	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Na"	22.989218
"320730"	348.137747	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+H+Na"	23.996494
"713151"	516.207497	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+H+Na"	23.996494
"1469525"	180.067997	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H+Na"	23.996494
"1053286"	120.38109	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2H+Na"	25.00377
"1258250"	369.172986	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+CH3OH+H"	33.033486
"381567"	711.242158	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+K"	38.963158
"752043"	1047.381658	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+K"	38.963158
"1553001"	375.102658	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+K"	38.963158
"303984"	356.124717	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+H+K"	39.970434
"695673"	524.194467	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+H+K"	39.970434
"1453502"	188.054967	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H+K"	39.970434
"242104"	714.312826	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+ACN+H"	42.033826
"1217000"	378.173326	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+ACN+H"	42.033826
"1200154"	189.590301	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+ACN+2H"	43.041102
"194848"	717.25016	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+2Na-H"	44.97116
"634407"	1053.38966	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+2Na-H"	44.97116
"1137914"	381.11066	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2Na-H"	44.97116
"180114"	359.128718	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+2Na"	45.978436
"619308"	527.198468	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+2Na"	45.978436
"1124270"	191.058968	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2Na"	45.978436
"1404519"	127.708404	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H+2Na"	46.985712
"1441013"	383.152246	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H+HCOOH"	47.012746
"231807"	364.16174	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+3H2O+2H"	56.04448
"1516591"	397.20429	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+IsoProp+H"	61.06479
"419557"	367.115688	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+Na+K"	61.952376
"783834"	535.185438	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+Na+K"	61.952376
"1677977"	199.045938	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Na+K"	61.952376
"260850"	736.294768	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+ACN+Na"	64.015768
"1237205"	400.155268	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+ACN+Na"	64.015768
"1724998"	400.178793	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+NH4+HCOOH"	64.039293
"1188164"	135.035718	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+3Na"	68.967654
"1662434"	405.134188	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Na+HCOOH"	68.994688
"170387"	749.19804	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+2K-H"	76.91904
"606669"	1085.33754	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+2K-H"	76.91904
"1098716"	413.05854	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2K-H"	76.91904
"156262"	375.102658	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"2M+2K"	77.926316
"591934"	543.172408	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"3M+2K"	77.926316
"1075350"	207.032908	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2K"	77.926316
"1115623"	415.073092	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2K+H"	78.933592
"1346041"	415.160707	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+DMSO+H"	79.021207
"1010192"	419.199876	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2ACN+H"	83.060376
"1526494"	420.193508	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+IsoProp+Na+H"	84.054008
"991849"	210.103576	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+2ACN+2H"	84.067652
"1591458"	421.108128	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+K+HCOOH"	84.968628
"1423680"	451.139638	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+H+CF3COOH"	115.000138
"1149956"	230.616851	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+3ACN+2H"	125.094202
"1700240"	468.166185	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+NH4+CF3COOH"	132.026685
"1636986"	473.12158	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+Na+CF3COOH"	136.98208
"1577015"	489.09552	"C02590"	"Steroid O-sulfate;Phenolic steroid O-sulfate"	"C18H24O4S"	"336.1395"	"M+K+CF3COOH"	152.95602
"812851"	422.0825	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M"	0
"987476"	403.06411	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"73532"	280.381057333333	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"515281"	421.075224	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"891989"	139.686890666667	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"1815"	421.075224	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"444654"	632.116474	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"822454"	210.033974	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"85726"	843.157724	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"523465"	1265.240224	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"900910"	421.075224	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"60151"	860.184271	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"499710"	1282.266771	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"874836"	438.101771	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"46262"	865.139666	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"481205"	1287.222166	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"863137"	443.057166	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1627444"	443.057166	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"102879"	439.063563	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"541347"	650.104813	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"935955"	228.022313	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"271233"	879.134402	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"664751"	1301.216902	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1282621"	457.051902	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"25176"	881.113606	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"464737"	1303.196106	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"837071"	459.031106	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1563842"	459.031106	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"951725"	467.080694	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"371035"	889.163201	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"356013"	903.178851	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1499377"	481.096351	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"964730"	489.062651	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"116918"	457.051902	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"556477"	668.093152	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1026370"	246.010652	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1251415"	501.001385	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1305120"	503.057372	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1324801"	525.039329	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"918045"	535.068086	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1290017"	571.044764	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1371826"	387.069824	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1383125"	405.0798	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"289010"	845.172276	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"682523"	1267.254776	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1358145"	423.089776	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"127751"	423.089776	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"569864"	634.131026	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1046684"	212.048526	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"214585"	282.395609333333	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"648676"	423.089776	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1170089"	141.701442666667	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"428259"	862.198823	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"791073"	1284.281323	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1686314"	440.116323	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"342250"	431.6030495	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"736859"	642.6442995	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1486303"	220.5617995	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"397334"	867.154218	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"760515"	1289.236718	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1609709"	445.071718	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"321933"	434.080747	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"715448"	645.121997	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1472185"	223.039497	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1062515"	149.028756666667	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1266381"	455.115986	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"392578"	883.128158	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"750330"	1305.210658	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1552382"	461.045658	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"304458"	442.067717	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"695417"	653.108967	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1454703"	231.026467	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"246586"	886.198826	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1217110"	464.116326	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1202086"	232.561801	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"198237"	889.13616	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"635611"	1311.21866	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1138388"	467.05366	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"183504"	445.071718	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"624156"	656.112968	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1129485"	234.030468	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1407909"	156.356070666667	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1441488"	469.095246	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"230823"	450.10474	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1517794"	483.14729	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"414199"	453.058688	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"779207"	664.099938	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1676266"	242.017438	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"259867"	908.180768	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1236222"	486.098268	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1724015"	486.121793	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1189367"	163.683384666667	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1658171"	491.077188	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"165031"	921.08404	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"607873"	1343.16654	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1098827"	499.00154	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"154671"	461.045658	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"593138"	672.086908	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1072543"	250.004408	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1109764"	501.016092	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1346149"	501.103707	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1009209"	505.142876	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1525387"	506.136508	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"992688"	253.075076	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1591568"	507.051128	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1423790"	537.082638	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1150066"	273.588351	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1699257"	554.109185	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1637096"	559.06458	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1577125"	575.03852	"C02591"	"Sucrose 6-phosphate;Sucrose 6F-phosphate"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"814054"	483.3018	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M"	0
"987586"	464.28341	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-H2O-H"	-19.01839
"73642"	321.193924	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M-3H"	-3.021828
"516485"	482.294524	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M-3H"	-3.021828
"893192"	160.093324	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-3H"	-3.021828
"3019"	482.294524	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M-2H"	-2.014552
"442576"	723.945424	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M-2H"	-2.014552
"819649"	240.643624	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-2H"	-2.014552
"82557"	965.596324	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M-H"	-1.007276
"520660"	1448.898124	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M-H"	-1.007276
"902113"	482.294524	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-H"	-1.007276
"61723"	982.622871	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M-2H+NH4"	16.019271
"502496"	1465.924671	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M-2H+NH4"	16.019271
"876039"	499.321071	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-2H+NH4"	16.019271
"46006"	987.578266	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M-2H+Na"	20.974666
"481315"	1470.880066	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M-2H+Na"	20.974666
"863368"	504.276466	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-2H+Na"	20.974666
"1627554"	504.276466	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Na-2H"	20.974666
"104082"	500.282863	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M-H+Cl"	33.962126
"541457"	741.933763	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M-H+Cl"	33.962126
"936065"	258.631963	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-H+Cl"	33.962126
"272437"	1001.573002	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+Cl"	34.969402
"668141"	1484.874802	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+Cl"	34.969402
"1281638"	518.271202	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Cl"	34.969402
"25286"	1003.552206	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M-2H+K"	36.948606
"467035"	1486.854006	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M-2H+K"	36.948606
"840461"	520.250406	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-2H+K"	36.948606
"1565045"	520.250406	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+K-2H"	36.948606
"951835"	528.299994	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-H+HCOOH"	44.998194
"371145"	1011.601801	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+HCOOH-H"	44.998201
"355027"	1025.617451	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+Hac-H"	59.013851
"1499487"	542.315651	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Hac-H"	59.013851
"964840"	550.281951	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-H+NaCOOH"	66.980151
"118121"	518.271202	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+2Cl"	69.938804
"556587"	759.922102	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+2Cl"	69.938804
"1026480"	276.620302	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2Cl"	69.938804
"1251525"	562.220685	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Br"	78.918885
"1306323"	564.276672	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Cl+HCOOH"	80.974872
"1327096"	586.258629	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Cl+NaCOOH"	102.956829
"919247"	596.287386	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M-H+CF3COOH"	112.985586
"1290492"	632.264064	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Cl+CF3COOH"	148.962264
"1371936"	448.289124	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H-2H2O"	-35.012676
"1382769"	466.2991	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H-H2O"	-17.0027
"286204"	967.610876	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+H"	1.007276
"679353"	1450.912676	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+H"	1.007276
"1357891"	484.309076	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H"	1.007276
"128226"	484.309076	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+2H"	2.014552
"569971"	725.959976	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+2H"	2.014552
"1040231"	242.658176	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2H"	2.014552
"212509"	323.208476	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+3H"	3.021828
"649150"	484.309076	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+3H"	3.021828
"1168008"	162.107876	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+3H"	3.021828
"429094"	984.637423	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+NH4"	18.033823
"790091"	1467.939223	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+NH4"	18.033823
"1685691"	501.335623	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+NH4"	18.033823
"332148"	492.8223495	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+H+NH4"	19.041099
"726031"	734.4732495	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+H+NH4"	19.041099
"1483133"	251.1714495	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H+NH4"	19.041099
"395985"	989.592818	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+Na"	22.989218
"760625"	1472.894618	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+Na"	22.989218
"1607633"	506.291018	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Na"	22.989218
"323136"	495.300047	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+H+Na"	23.996494
"715558"	736.950947	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+H+Na"	23.996494
"1468284"	253.649147	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H+Na"	23.996494
"1061532"	169.43519	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2H+Na"	25.00377
"1269771"	516.335286	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+CH3OH+H"	33.033486
"387253"	1005.566758	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+K"	38.963158
"749346"	1488.868558	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+K"	38.963158
"1551397"	522.264958	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+K"	38.963158
"301650"	503.287017	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+H+K"	39.970434
"696619"	744.937917	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+H+K"	39.970434
"1451533"	261.636117	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H+K"	39.970434
"245602"	1008.637426	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+ACN+H"	42.033826
"1217220"	525.335626	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+ACN+H"	42.033826
"1202193"	263.171451	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+ACN+2H"	43.041102
"191783"	1011.57476	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+2Na-H"	44.97116
"633897"	1494.87656	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+2Na-H"	44.97116
"1138133"	528.27296	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2Na-H"	44.97116
"177051"	506.291018	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+2Na"	45.978436
"615882"	747.941918	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+2Na"	45.978436
"1122304"	264.640118	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2Na"	45.978436
"1402915"	176.762504	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H+2Na"	46.985712
"1433575"	530.314546	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H+HCOOH"	47.012746
"226558"	511.32404	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+3H2O+2H"	56.04448
"1512435"	544.36659	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+IsoProp+H"	61.06479
"413215"	514.277988	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+Na+K"	61.952376
"774211"	755.928888	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+Na+K"	61.952376
"1671636"	272.627088	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Na+K"	61.952376
"261432"	1030.619368	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+ACN+Na"	64.015768
"1235235"	547.317568	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+ACN+Na"	64.015768
"1723029"	547.341093	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+NH4+HCOOH"	64.039293
"1186196"	184.089818	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+3Na"	68.967654
"1657183"	552.296488	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Na+HCOOH"	68.994688
"166233"	1043.52264	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+2K-H"	76.91904
"607979"	1526.82444	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+2K-H"	76.91904
"1093587"	560.22084	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2K-H"	76.91904
"152592"	522.264958	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"2M+2K"	77.926316
"589966"	763.915858	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"3M+2K"	77.926316
"1074475"	280.614058	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2K"	77.926316
"1113154"	562.235392	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2K+H"	78.933592
"1341885"	562.323007	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+DMSO+H"	79.021207
"1010775"	566.362176	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2ACN+H"	83.060376
"1524725"	567.355808	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+IsoProp+Na+H"	84.054008
"990610"	283.684726	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+2ACN+2H"	84.067652
"1587260"	568.270428	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+K+HCOOH"	84.968628
"1417703"	598.301938	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+H+CF3COOH"	115.000138
"1147338"	304.198001	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+3ACN+2H"	125.094202
"1698272"	615.328485	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+NH4+CF3COOH"	132.026685
"1635381"	620.28388	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+Na+CF3COOH"	136.98208
"1577235"	636.25782	"C02592"	"Taurolithocholate;Taurolithocholic acid"	"C26H45NO5S"	"483.3018"	"M+K+CF3COOH"	152.95602
"810884"	977.3136	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M"	0
"987696"	958.29521	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-H2O-H"	-19.01839
"71566"	650.535124	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M-3H"	-3.021828
"515502"	976.306324	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M-3H"	-3.021828
"892208"	324.763924	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-3H"	-3.021828
"3128"	976.306324	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M-2H"	-2.014552
"441594"	1464.963124	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M-2H"	-2.014552
"819395"	487.649524	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-2H"	-2.014552
"80842"	1953.619924	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M-H"	-1.007276
"519310"	2930.933524	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M-H"	-1.007276
"903316"	976.306324	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-H"	-1.007276
"61344"	1970.646471	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M-2H+NH4"	16.019271
"502688"	2947.960071	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M-2H+NH4"	16.019271
"876149"	993.332871	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-2H+NH4"	16.019271
"46116"	1975.601866	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M-2H+Na"	20.974666
"478145"	2952.915466	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M-2H+Na"	20.974666
"864092"	998.288266	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-2H+Na"	20.974666
"1627664"	998.288266	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Na-2H"	20.974666
"106379"	994.294663	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M-H+Cl"	33.962126
"541567"	1482.951463	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M-H+Cl"	33.962126
"935082"	505.637863	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-H+Cl"	33.962126
"272547"	1989.596602	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+Cl"	34.969402
"668251"	2966.910202	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+Cl"	34.969402
"1282842"	1012.283002	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Cl"	34.969402
"25396"	1991.575806	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M-2H+K"	36.948606
"466051"	2968.889406	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M-2H+K"	36.948606
"844945"	1014.262206	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-2H+K"	36.948606
"1562969"	1014.262206	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+K-2H"	36.948606
"948665"	1022.311794	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-H+HCOOH"	44.998194
"369069"	1999.625401	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+HCOOH-H"	44.998201
"351858"	2013.641051	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+Hac-H"	59.013851
"1500689"	1036.327451	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Hac-H"	59.013851
"966044"	1044.293751	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-H+NaCOOH"	66.980151
"117136"	1012.283002	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+2Cl"	69.938804
"559977"	1500.939802	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+2Cl"	69.938804
"1027684"	523.626202	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2Cl"	69.938804
"1251635"	1056.232485	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Br"	78.918885
"1307527"	1058.288472	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Cl+HCOOH"	80.974872
"1327206"	1080.270429	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Cl+NaCOOH"	102.956829
"921544"	1090.299186	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M-H+CF3COOH"	112.985586
"1291695"	1126.275864	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Cl+CF3COOH"	148.962264
"1370953"	942.300924	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H-2H2O"	-35.012676
"1383709"	960.3109	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H-H2O"	-17.0027
"289230"	1955.634476	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+H"	1.007276
"679463"	2932.948076	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+H"	1.007276
"1359094"	978.320876	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H"	1.007276
"131252"	978.320876	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+2H"	2.014552
"568989"	1466.977676	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+2H"	2.014552
"1040338"	489.664076	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2H"	2.014552
"207513"	652.549676	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+3H"	3.021828
"648165"	978.320876	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+3H"	3.021828
"1166659"	326.778476	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+3H"	3.021828
"429204"	1972.661023	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+NH4"	18.033823
"791292"	2949.974623	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+NH4"	18.033823
"1683979"	995.347423	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+NH4"	18.033823
"332259"	986.8341495	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+H+NH4"	19.041099
"726142"	1475.4909495	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+H+NH4"	19.041099
"1481057"	498.1773495	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H+NH4"	19.041099
"395368"	1977.616418	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+Na"	22.989218
"758550"	2954.930018	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+Na"	22.989218
"1606650"	1000.302818	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Na"	22.989218
"321059"	989.311847	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+H+Na"	23.996494
"714575"	1477.968647	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+H+Na"	23.996494
"1471676"	500.655047	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H+Na"	23.996494
"1063829"	334.10579	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2H+Na"	25.00377
"1272718"	1010.347086	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+CH3OH+H"	33.033486
"390643"	1993.590358	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+K"	38.963158
"749455"	2970.903958	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+K"	38.963158
"1551507"	1016.276758	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+K"	38.963158
"301396"	997.298817	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+H+K"	39.970434
"695637"	1485.955617	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+H+K"	39.970434
"1452737"	508.642017	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H+K"	39.970434
"243527"	1996.661026	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+ACN+H"	42.033826
"1217330"	1019.347426	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+ACN+H"	42.033826
"1203396"	510.177351	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+ACN+2H"	43.041102
"190800"	1999.59836	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+2Na-H"	44.97116
"634736"	2976.91196	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+2Na-H"	44.97116
"1138243"	1022.28476	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2Na-H"	44.97116
"176069"	1000.302818	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+2Na"	45.978436
"617084"	1488.959618	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+2Na"	45.978436
"1120227"	511.646018	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2Na"	45.978436
"1400351"	341.433104	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H+2Na"	46.985712
"1433685"	1024.326346	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H+HCOOH"	47.012746
"226668"	1005.33584	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+3H2O+2H"	56.04448
"1513638"	1038.37839	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+IsoProp+H"	61.06479
"413325"	1008.289788	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+Na+K"	61.952376
"775415"	1496.946588	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+Na+K"	61.952376
"1671746"	519.632988	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Na+K"	61.952376
"260450"	2018.642968	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+ACN+Na"	64.015768
"1233159"	1041.329368	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+ACN+Na"	64.015768
"1723140"	1041.352893	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+NH4+HCOOH"	64.039293
"1185212"	348.760418	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+3Na"	68.967654
"1653284"	1046.308288	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Na+HCOOH"	68.994688
"165249"	2031.54624	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+2K-H"	76.91904
"605902"	3008.85984	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+2K-H"	76.91904
"1094788"	1054.23264	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2K-H"	76.91904
"151609"	1016.276758	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"2M+2K"	77.926316
"593357"	1504.933558	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"3M+2K"	77.926316
"1076773"	527.619958	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2K"	77.926316
"1113264"	1056.247192	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2K+H"	78.933592
"1347462"	1056.334807	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+DMSO+H"	79.021207
"1010157"	1060.373976	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2ACN+H"	83.060376
"1527553"	1061.367608	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+IsoProp+Na+H"	84.054008
"991816"	530.690626	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+2ACN+2H"	84.067652
"1587415"	1062.282228	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+K+HCOOH"	84.968628
"1417449"	1092.313738	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+H+CF3COOH"	115.000138
"1147369"	551.203901	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+3ACN+2H"	125.094202
"1697653"	1109.340285	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+NH4+CF3COOH"	132.026685
"1634518"	1114.29568	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+Na+CF3COOH"	136.98208
"1577345"	1130.26962	"C02593"	"Tetradecanoyl-CoA;Myristoyl-CoA"	"C35H62N7O17P3S"	"977.3136"	"M+K+CF3COOH"	152.95602
"814275"	142.0089	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M"	0
"987443"	122.99051	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-H2O-H"	-19.01839
"72769"	93.665324	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M-3H"	-3.021828
"515612"	141.001624	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M-3H"	-3.021828
"891226"	46.329024	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-3H"	-3.021828
"3238"	141.001624	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M-2H"	-2.014552
"441705"	212.006074	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M-2H"	-2.014552
"818410"	69.997174	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-2H"	-2.014552
"80952"	283.010524	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M-H"	-1.007276
"519781"	425.019424	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M-H"	-1.007276
"901239"	141.001624	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-H"	-1.007276
"61331"	300.037071	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M-2H+NH4"	16.019271
"501617"	442.045971	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M-2H+NH4"	16.019271
"876259"	158.028171	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-2H+NH4"	16.019271
"46226"	304.992466	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M-2H+Na"	20.974666
"486396"	447.001366	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M-2H+Na"	20.974666
"859335"	162.983566	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-2H+Na"	20.974666
"1623402"	162.983566	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Na-2H"	20.974666
"101023"	158.989963	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M-H+Cl"	33.962126
"543864"	229.994413	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M-H+Cl"	33.962126
"928632"	87.985513	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-H+Cl"	33.962126
"268649"	318.987202	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+Cl"	34.969402
"671643"	460.996102	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+Cl"	34.969402
"1285140"	176.978302	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Cl"	34.969402
"24415"	320.966406	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M-2H+K"	36.948606
"467256"	462.975306	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M-2H+K"	36.948606
"845058"	178.957506	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-2H+K"	36.948606
"1567451"	178.957506	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+K-2H"	36.948606
"949868"	187.007094	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-H+HCOOH"	44.998194
"370272"	329.016001	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+HCOOH-H"	44.998201
"355248"	343.031651	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+Hac-H"	59.013851
"1501891"	201.022751	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Hac-H"	59.013851
"967248"	208.989051	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-H+NaCOOH"	66.980151
"118340"	176.978302	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+2Cl"	69.938804
"556806"	247.982752	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+2Cl"	69.938804
"1028887"	105.973852	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2Cl"	69.938804
"1250651"	220.927785	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Br"	78.918885
"1307635"	222.983772	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Cl+HCOOH"	80.974872
"1326222"	244.965729	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Cl+NaCOOH"	102.956829
"918374"	254.994486	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M-H+CF3COOH"	112.985586
"1290712"	290.971164	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Cl+CF3COOH"	148.962264
"1372156"	106.996224	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H-2H2O"	-35.012676
"1384183"	125.0062	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H-H2O"	-17.0027
"289340"	285.025076	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+H"	1.007276
"679573"	427.033976	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+H"	1.007276
"1359204"	143.016176	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H"	1.007276
"130998"	143.016176	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+2H"	2.014552
"569098"	214.020626	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+2H"	2.014552
"1040448"	72.011726	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2H"	2.014552
"209080"	95.679876	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+3H"	3.021828
"649368"	143.016176	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+3H"	3.021828
"1168955"	48.343576	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+3H"	3.021828
"430042"	302.051623	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+NH4"	18.033823
"792495"	444.060523	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+NH4"	18.033823
"1684089"	160.042723	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+NH4"	18.033823
"333098"	151.5294495	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+H+NH4"	19.041099
"726252"	222.5338995	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+H+NH4"	19.041099
"1481167"	80.5249995	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H+NH4"	19.041099
"392954"	307.007018	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+Na"	22.989218
"755744"	449.015918	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+Na"	22.989218
"1606760"	164.998118	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Na"	22.989218
"316796"	154.007147	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+H+Na"	23.996494
"712498"	225.011597	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+H+Na"	23.996494
"1467414"	83.002697	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H+Na"	23.996494
"1060658"	55.67089	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2H+Na"	25.00377
"1267805"	175.042386	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+CH3OH+H"	33.033486
"387473"	322.980958	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+K"	38.963158
"747378"	464.989858	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+K"	38.963158
"1548337"	180.972058	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+K"	38.963158
"299317"	161.994117	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+H+K"	39.970434
"693924"	232.998567	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+H+K"	39.970434
"1448473"	90.989667	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H+K"	39.970434
"240356"	326.051626	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+ACN+H"	42.033826
"1219625"	184.042726	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+ACN+H"	42.033826
"1199135"	92.525001	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+ACN+2H"	43.041102
"189816"	328.98896	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+2Na-H"	44.97116
"630469"	470.99786	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+2Na-H"	44.97116
"1133976"	186.98006	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2Na-H"	44.97116
"176539"	164.998118	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+2Na"	45.978436
"614277"	236.002568	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+2Na"	45.978436
"1119604"	93.993668	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2Na"	45.978436
"1399854"	62.998204	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H+2Na"	46.985712
"1433795"	189.021646	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H+HCOOH"	47.012746
"229694"	170.03114	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+3H2O+2H"	56.04448
"1517029"	203.07369	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+IsoProp+H"	61.06479
"414529"	172.985088	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+Na+K"	61.952376
"776619"	243.989538	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+Na+K"	61.952376
"1674043"	101.980638	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Na+K"	61.952376
"257281"	348.033568	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+ACN+Na"	64.015768
"1232176"	206.024668	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+ACN+Na"	64.015768
"1722157"	206.048193	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+NH4+HCOOH"	64.039293
"1184229"	70.325518	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+3Na"	68.967654
"1653394"	211.003588	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Na+HCOOH"	68.994688
"165359"	360.93684	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+2K-H"	76.91904
"606012"	502.94574	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+2K-H"	76.91904
"1092712"	218.92794	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2K-H"	76.91904
"153905"	180.972058	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"2M+2K"	77.926316
"592373"	251.976508	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"3M+2K"	77.926316
"1076884"	109.967608	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2K"	77.926316
"1114467"	220.942492	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2K+H"	78.933592
"1349758"	221.030107	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+DMSO+H"	79.021207
"1012820"	225.069276	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2ACN+H"	83.060376
"1527664"	226.062908	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+IsoProp+Na+H"	84.054008
"993021"	113.038276	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+2ACN+2H"	84.067652
"1592992"	226.977528	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+K+HCOOH"	84.968628
"1423026"	257.009038	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+H+CF3COOH"	115.000138
"1147846"	133.551551	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+3ACN+2H"	125.094202
"1700679"	274.035585	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+NH4+CF3COOH"	132.026685
"1637422"	278.99098	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+Na+CF3COOH"	136.98208
"1577455"	294.96492	"C02595"	"Thien-2-ylacetate;2-Thiopheneacetic acid;2-Thienylacetic acid"	"C6H6O2S"	"142.0089"	"M+K+CF3COOH"	152.95602
"811103"	131.0735	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M"	0
"984636"	112.05511	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-H2O-H"	-19.01839
"73972"	86.3750573333333	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M-3H"	-3.021828
"514628"	130.066224	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M-3H"	-3.021828
"891336"	42.6838906666667	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-3H"	-3.021828
"1162"	130.066224	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M-2H"	-2.014552
"442907"	195.602974	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M-2H"	-2.014552
"819613"	64.529474	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-2H"	-2.014552
"81793"	261.139724	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M-H"	-1.007276
"519526"	392.213224	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M-H"	-1.007276
"898433"	130.066224	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-H"	-1.007276
"59743"	278.166271	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M-2H+NH4"	16.019271
"498568"	409.239771	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M-2H+NH4"	16.019271
"876369"	147.092771	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-2H+NH4"	16.019271
"44270"	283.121666	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M-2H+Na"	20.974666
"481644"	414.195166	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M-2H+Na"	20.974666
"856165"	152.048166	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-2H+Na"	20.974666
"1623512"	152.048166	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Na-2H"	20.974666
"103320"	148.054563	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M-H+Cl"	33.962126
"543610"	213.591313	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M-H+Cl"	33.962126
"930929"	82.517813	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-H+Cl"	33.962126
"269488"	297.116402	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+Cl"	34.969402
"671753"	428.189902	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+Cl"	34.969402
"1284886"	166.042902	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Cl"	34.969402
"25618"	299.095606	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M-2H+K"	36.948606
"466273"	430.169106	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M-2H+K"	36.948606
"846261"	168.022106	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-2H+K"	36.948606
"1564281"	168.022106	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+K-2H"	36.948606
"949979"	176.071694	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-H+HCOOH"	44.998194
"367103"	307.145201	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+HCOOH-H"	44.998201
"355358"	321.160851	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+Hac-H"	59.013851
"1499815"	190.087351	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Hac-H"	59.013851
"966264"	198.053651	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-H+NaCOOH"	66.980151
"119543"	166.042902	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+2Cl"	69.938804
"562383"	231.579652	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+2Cl"	69.938804
"1026809"	100.506152	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2Cl"	69.938804
"1246386"	209.992385	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Br"	78.918885
"1316492"	212.048372	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Cl+HCOOH"	80.974872
"1325240"	234.030329	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Cl+NaCOOH"	102.956829
"918486"	244.059086	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M-H+CF3COOH"	112.985586
"1289000"	280.035764	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Cl+CF3COOH"	148.962264
"1371173"	96.060824	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H-2H2O"	-35.012676
"1388668"	114.0708	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H-H2O"	-17.0027
"288357"	263.154276	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+H"	1.007276
"679683"	394.227776	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+H"	1.007276
"1360408"	132.080776	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H"	1.007276
"131108"	132.080776	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+2H"	2.014552
"567387"	197.617526	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+2H"	2.014552
"1039467"	66.544026	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2H"	2.014552
"208093"	88.3896093333333	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+3H"	3.021828
"648383"	132.080776	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+3H"	3.021828
"1168334"	44.6984426666667	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+3H"	3.021828
"431242"	280.180823	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+NH4"	18.033823
"791873"	411.254323	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+NH4"	18.033823
"1686022"	149.107323	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+NH4"	18.033823
"335395"	140.5940495	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+H+NH4"	19.041099
"727455"	206.1307995	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+H+NH4"	19.041099
"1484557"	75.0572995	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H+NH4"	19.041099
"393396"	285.136218	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+Na"	22.989218
"757677"	416.209718	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+Na"	22.989218
"1605774"	154.062718	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Na"	22.989218
"317998"	143.071747	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+H+Na"	23.996494
"712608"	208.608497	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+H+Na"	23.996494
"1470438"	77.534997	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H+Na"	23.996494
"1058581"	52.0257566666667	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2H+Na"	25.00377
"1266822"	164.106986	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+CH3OH+H"	33.033486
"387582"	301.110158	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+K"	38.963158
"747488"	432.183658	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+K"	38.963158
"1544073"	170.036658	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+K"	38.963158
"298750"	151.058717	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+H+K"	39.970434
"691844"	216.595467	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+H+K"	39.970434
"1445707"	85.521967	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H+K"	39.970434
"239372"	304.180826	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+ACN+H"	42.033826
"1217550"	173.107326	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+ACN+H"	42.033826
"1196327"	87.057301	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+ACN+2H"	43.041102
"195396"	307.11816	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+2Na-H"	44.97116
"633860"	438.19166	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+2Na-H"	44.97116
"1135178"	176.04466	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2Na-H"	44.97116
"177374"	154.062718	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+2Na"	45.978436
"615480"	219.599468	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+2Na"	45.978436
"1122628"	88.525968	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2Na"	45.978436
"1400694"	59.3530706666667	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H+2Na"	46.985712
"1434998"	178.086246	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H+HCOOH"	47.012746
"222513"	159.09574	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+3H2O+2H"	56.04448
"1517139"	192.13829	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+IsoProp+H"	61.06479
"413545"	162.049688	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+Na+K"	61.952376
"777821"	227.586438	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+Na+K"	61.952376
"1675246"	96.512938	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Na+K"	61.952376
"258483"	326.162768	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+ACN+Na"	64.015768
"1232286"	195.089268	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+ACN+Na"	64.015768
"1722267"	195.112793	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+NH4+HCOOH"	64.039293
"1183610"	66.6803846666667	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+3Na"	68.967654
"1654597"	200.068188	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Na+HCOOH"	68.994688
"165469"	339.06604	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+2K-H"	76.91904
"607216"	470.13954	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+2K-H"	76.91904
"1093915"	207.99254	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2K-H"	76.91904
"151829"	170.036658	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"2M+2K"	77.926316
"592483"	235.573408	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"3M+2K"	77.926316
"1073712"	104.499908	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2K"	77.926316
"1113482"	210.007092	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2K+H"	78.933592
"1345494"	210.094707	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+DMSO+H"	79.021207
"1009650"	214.133876	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2ACN+H"	83.060376
"1527045"	215.127508	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+IsoProp+Na+H"	84.054008
"995318"	107.570576	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+2ACN+2H"	84.067652
"1596382"	216.042128	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+K+HCOOH"	84.968628
"1423136"	246.073638	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+H+CF3COOH"	115.000138
"1147469"	128.083851	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+3ACN+2H"	125.094202
"1700789"	263.100185	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+NH4+CF3COOH"	132.026685
"1636439"	268.05558	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+Na+CF3COOH"	136.98208
"1580845"	284.02952	"C02596"	"Tolylacetonitrile;o-Tolylacetonitrile;o-Methylbenzyl cyanide;2-Methylbezeneacetonitrile"	"C9H9N"	"131.0735"	"M+K+CF3COOH"	152.95602
"811214"	150.0528	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M"	0
"981466"	131.03441	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"68615"	99.027924	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"505624"	149.045524	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"883791"	49.010324	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"1999"	149.045524	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"442287"	224.071924	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"823012"	74.019124	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"90662"	299.098324	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"529134"	449.151124	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"906571"	149.045524	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"58395"	316.124871	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"500142"	466.177671	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"876850"	166.072071	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"44017"	321.080266	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"478476"	471.133066	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"857370"	171.027466	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1622528"	171.027466	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"108175"	167.033863	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"547739"	242.060263	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"940888"	92.007463	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"277255"	335.075002	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"668582"	485.127802	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1285723"	185.022202	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"25729"	337.054206	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"467476"	487.107006	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"845278"	187.001406	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1568764"	187.001406	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"951182"	195.050994	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"369398"	345.103801	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"355467"	359.119451	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1498469"	209.066651	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"967466"	217.032951	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"119653"	185.022202	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"560309"	260.048602	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1031297"	109.995802	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1250876"	228.971685	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1311137"	231.027672	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1321343"	253.009629	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"916779"	263.038386	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1297499"	299.015064	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1375660"	115.040124	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1389875"	133.0501	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"293938"	301.112876	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"679798"	451.165676	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1358332"	151.060076	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"132316"	151.060076	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"568227"	226.086476	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1039946"	76.033676	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"209302"	101.042476	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"648861"	151.060076	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1168452"	51.024876	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"428447"	318.139423	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"794912"	468.192223	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1694162"	168.086623	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"341711"	159.5733495	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"724294"	234.5997495	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1480302"	84.5469495	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"398981"	323.094818	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"758882"	473.147618	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1606980"	173.042018	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"319206"	162.051047	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"714906"	237.077447	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1468728"	87.024647	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1057598"	58.35219	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1257815"	183.086286	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"381135"	339.068758	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"742132"	489.121558	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1543092"	189.015958	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"300388"	170.038017	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"694145"	245.064417	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1447236"	95.011617	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"243857"	342.139426	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1218753"	192.086626	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1201540"	96.546951	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"190768"	345.07676	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"631052"	495.12956	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1135300"	195.02396	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"174336"	173.042018	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"618151"	248.068418	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1121657"	98.015618	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1409562"	65.679504	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1443868"	197.065546	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"233563"	178.07504	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1518343"	211.11759	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"416936"	181.028988	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"780116"	256.055388	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1673166"	106.002588	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259685"	364.121368	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1236773"	214.068568	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1721283"	214.092093	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1187731"	73.006818	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1654343"	219.047488	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"169954"	377.02464	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"604046"	527.07744	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1088557"	226.97184	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"148654"	189.015958	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"584933"	264.042358	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1074913"	113.989558	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1113592"	228.986392	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1344508"	229.074007	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1010121"	233.113176	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1527884"	234.106808	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"994334"	117.060226	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1588471"	235.021428	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1414981"	265.052938	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1147125"	137.573501	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1698719"	282.079485	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1636552"	287.03488	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1577677"	303.00882	"C02604"	"alpha-L-Arabinose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"816598"	967.1626	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M"	0
"975020"	948.14421	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-H2O-H"	-19.01839
"63380"	643.767790666667	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M-3H"	-3.021828
"503545"	966.155324	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M-3H"	-3.021828
"881711"	321.380257333333	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-3H"	-3.021828
"9044"	966.155324	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M-2H"	-2.014552
"452618"	1449.736624	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M-2H"	-2.014552
"824224"	482.574024	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-2H"	-2.014552
"87498"	1933.317924	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M-H"	-1.007276
"525963"	2900.480524	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M-H"	-1.007276
"902669"	966.155324	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-H"	-1.007276
"54856"	1950.344471	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M-2H+NH4"	16.019271
"495510"	2917.507071	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M-2H+NH4"	16.019271
"870031"	983.181871	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-2H+NH4"	16.019271
"37931"	1955.299866	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M-2H+Na"	20.974666
"477491"	2922.462466	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M-2H+Na"	20.974666
"858578"	988.137266	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-2H+Na"	20.974666
"1631395"	988.137266	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Na-2H"	20.974666
"106829"	984.143663	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M-H+Cl"	33.962126
"547481"	1467.724963	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M-H+Cl"	33.962126
"939902"	500.562363	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-H+Cl"	33.962126
"280644"	1969.294602	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+Cl"	34.969402
"667600"	2936.457202	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+Cl"	34.969402
"1281095"	1002.132002	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Cl"	34.969402
"28024"	1971.273806	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M-2H+K"	36.948606
"469406"	2938.436406	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M-2H+K"	36.948606
"845388"	1004.111206	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-2H+K"	36.948606
"1566690"	1004.111206	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+K-2H"	36.948606
"954572"	1012.160794	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-H+HCOOH"	44.998194
"371690"	1979.323401	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+HCOOH-H"	44.998201
"355577"	1993.339051	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+Hac-H"	59.013851
"1503313"	1026.176451	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Hac-H"	59.013851
"966486"	1034.142751	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-H+NaCOOH"	66.980151
"119767"	1002.132002	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+2Cl"	69.938804
"562606"	1485.713302	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+2Cl"	69.938804
"1031406"	518.550702	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2Cl"	69.938804
"1246977"	1046.081485	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Br"	78.918885
"1309059"	1048.137472	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Cl+HCOOH"	80.974872
"1321819"	1070.119429	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Cl+NaCOOH"	102.956829
"921996"	1080.148186	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M-H+CF3COOH"	112.985586
"1296517"	1116.124864	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Cl+CF3COOH"	148.962264
"1374677"	932.149924	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H-2H2O"	-35.012676
"1389991"	950.1599	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H-H2O"	-17.0027
"294049"	1935.332476	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+H"	1.007276
"685374"	2902.495076	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+H"	1.007276
"1357348"	968.169876	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H"	1.007276
"131333"	968.169876	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+2H"	2.014552
"571986"	1451.751176	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+2H"	2.014552
"1040786"	484.588576	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2H"	2.014552
"206868"	645.782342666667	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+3H"	3.021828
"649348"	968.169876	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+3H"	3.021828
"1170754"	323.394809333333	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+3H"	3.021828
"432940"	1952.359023	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+NH4"	18.033823
"795029"	2919.521623	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+NH4"	18.033823
"1685888"	985.196423	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+NH4"	18.033823
"332345"	976.6831495	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+H+NH4"	19.041099
"724766"	1460.2644495	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+H+NH4"	19.041099
"1483691"	493.1018495	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H+NH4"	19.041099
"395810"	1957.314418	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+Na"	22.989218
"760086"	2924.477018	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+Na"	22.989218
"1607092"	990.151818	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Na"	22.989218
"317127"	979.160847	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+H+Na"	23.996494
"710643"	1462.742147	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+H+Na"	23.996494
"1472123"	495.579547	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H+Na"	23.996494
"1066466"	330.722123333333	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2H+Na"	25.00377
"1264860"	1000.196086	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+CH3OH+H"	33.033486
"383433"	1973.288358	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+K"	38.963158
"744429"	2940.450958	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+K"	38.963158
"1542109"	1006.125758	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+K"	38.963158
"305845"	987.147817	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+H+K"	39.970434
"698264"	1470.729117	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+H+K"	39.970434
"1449168"	503.566517	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H+K"	39.970434
"246154"	1976.359026	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+ACN+H"	42.033826
"1212666"	1009.196426	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+ACN+H"	42.033826
"1199471"	505.101851	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+ACN+2H"	43.041102
"193438"	1979.29636	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+2Na-H"	44.97116
"635186"	2946.45896	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+2Na-H"	44.97116
"1139787"	1012.13376	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2Na-H"	44.97116
"178706"	990.151818	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+2Na"	45.978436
"623739"	1473.733118	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+2Na"	45.978436
"1125059"	506.570518	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2Na"	45.978436
"1409313"	338.049437333333	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H+2Na"	46.985712
"1440698"	1014.175346	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H+HCOOH"	47.012746
"228205"	995.18484	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+3H2O+2H"	56.04448
"1515172"	1028.22739	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+IsoProp+H"	61.06479
"414857"	998.138788	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+Na+K"	61.952376
"776949"	1481.720088	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+Na+K"	61.952376
"1670001"	514.557488	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Na+K"	61.952376
"255427"	1998.340968	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+ACN+Na"	64.015768
"1234697"	1031.178368	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+ACN+Na"	64.015768
"1719207"	1031.201893	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+NH4+HCOOH"	64.039293
"1187845"	345.376751333333	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+3Na"	68.967654
"1656644"	1036.157288	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Na+HCOOH"	68.994688
"167880"	2011.24424	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+2K-H"	76.91904
"604158"	2978.40684	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+2K-H"	76.91904
"1089763"	1044.08164	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2K-H"	76.91904
"148764"	1006.125758	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"2M+2K"	77.926316
"591604"	1489.707058	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"3M+2K"	77.926316
"1080491"	522.544458	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2K"	77.926316
"1106048"	1046.096192	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2K+H"	78.933592
"1339153"	1046.183807	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+DMSO+H"	79.021207
"1008775"	1050.222976	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2ACN+H"	83.060376
"1526175"	1051.216608	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+IsoProp+Na+H"	84.054008
"991891"	525.615126	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+2ACN+2H"	84.067652
"1588105"	1052.131228	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+K+HCOOH"	84.968628
"1414980"	1082.162738	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+H+CF3COOH"	115.000138
"1150373"	546.128401	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+3ACN+2H"	125.094202
"1705394"	1099.189285	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+NH4+CF3COOH"	132.026685
"1648700"	1104.14468	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+Na+CF3COOH"	136.98208
"1577789"	1120.11862	"C02611"	"(EE)-Piperoyl-CoA"	"C33H44N7O19P3S"	"967.1626"	"M+K+CF3COOH"	152.95602
"816839"	148.0372	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M"	0
"976951"	129.01881	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"63852"	97.6841906666667	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"503651"	147.029924	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"881334"	48.3384573333333	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"8061"	147.029924	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"451273"	221.048524	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"826522"	73.011324	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"86517"	295.067124	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"524980"	443.104324	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"902779"	147.029924	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"52779"	312.093671	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"494526"	460.130871	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"870141"	164.056471	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"34761"	317.049066	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"474321"	465.086266	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"850299"	169.011866	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1629319"	169.011866	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"106940"	165.018263	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"548685"	239.036863	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"940012"	90.999663	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"279661"	331.043802	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"668804"	479.081002	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1280113"	183.006602	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"27042"	333.023006	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"465507"	481.060206	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"842217"	184.985806	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1562428"	184.985806	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"948123"	193.035394	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"368523"	341.072601	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"349856"	355.088251	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1498321"	207.051051	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"965503"	215.017351	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"116597"	183.006602	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"556156"	257.025202	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1029330"	108.988002	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1246722"	226.956085	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1308076"	229.012072	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1324116"	250.994029	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"916637"	261.022786	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1292979"	296.999464	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1374787"	113.024524	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1391192"	131.0345	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"291970"	297.081676	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"686578"	445.118876	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1359645"	149.044476	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"131440"	149.044476	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"572096"	223.063076	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1042353"	75.025876	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"207342"	99.6987426666667	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"647272"	149.044476	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1165397"	50.3530093333333	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"435236"	314.108223	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"790763"	462.145423	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1684905"	166.071023	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"332094"	157.5577495	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"725607"	231.5763495	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1480523"	83.5391495	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"394219"	319.063618	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"760197"	467.100818	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1605014"	171.026418	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"319424"	160.035447	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"709660"	234.054047	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1473328"	86.016847	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1067668"	57.6803233333333	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1266063"	181.070686	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"382450"	335.037558	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"742716"	483.074758	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1541488"	187.000358	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"301214"	168.022417	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"698374"	242.041017	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1448185"	94.003817	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"242983"	338.108226	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1211319"	190.071026	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1197758"	95.539151	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"190390"	341.04556	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"633109"	489.08276	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1139897"	193.00836	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"179910"	171.026418	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"619474"	245.045018	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1127357"	97.007818	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1410516"	65.0076373333333	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1440808"	195.049946	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"228315"	176.05944	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1516376"	209.10199	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"411688"	179.013388	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"777059"	253.031988	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1675579"	104.994788	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"255537"	360.090168	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1232620"	212.052968	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1717131"	212.076493	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1185768"	72.3349513333333	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1654567"	217.031888	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"169082"	372.99344	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"603175"	521.03064	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1089873"	224.95624	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"149967"	187.000358	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"591715"	261.018958	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1076227"	112.981758	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1104336"	226.970792	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1340357"	227.058407	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1008884"	231.097576	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1527011"	232.091208	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"992001"	116.052426	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1592342"	233.005828	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1416183"	263.037338	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1148295"	136.565701	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1705504"	280.063885	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1647717"	285.01928	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1577899"	300.99322	"C02612"	"(R)-2-Methylmalate;(R)-2-Methylmalic acid;(R)-Citramalate;(R)-Citramalic acid;(R)-alpha-Hydroxypyrotartaric acid;D-Citramalate;D-Citramalic acid;D-alpha-Hydroxypyrotartaric acid;(2R)-2-Hydroxy-2-methylbutanedioate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"816746"	148.0372	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M"	0
"977061"	129.01881	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"62984"	97.6841906666667	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"502979"	147.029924	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"881202"	48.3384573333333	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"3796"	147.029924	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"452839"	221.048524	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"827724"	73.011324	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"87720"	295.067124	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"528370"	443.104324	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"905077"	147.029924	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"53982"	312.093671	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"490988"	460.130871	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"870251"	164.056471	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"34142"	317.049066	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"478805"	465.086266	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"851502"	169.011866	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1629427"	169.011866	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"105957"	165.018263	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"546609"	239.036863	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"939029"	90.999663	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"280864"	331.043802	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"670007"	479.081002	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1280222"	183.006602	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"28244"	333.023006	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"466710"	481.060206	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"843420"	184.985806	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1563631"	184.985806	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"950420"	193.035394	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"371912"	341.072601	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"351060"	355.088251	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1499161"	207.051051	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"966706"	215.017351	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"118895"	183.006602	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"557361"	257.025202	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1025430"	108.988002	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1243552"	226.956085	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1311832"	229.012072	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1324227"	250.994029	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"917840"	261.022786	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1293089"	296.999464	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1370157"	113.024524	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1392393"	131.0345	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"288799"	297.081676	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"677576"	445.118876	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1356476"	149.044476	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"130458"	149.044476	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"569290"	223.063076	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1041005"	75.025876	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"204897"	99.6987426666667	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"647013"	149.044476	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1169878"	50.3530093333333	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"434251"	314.108223	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"790874"	462.145423	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1685015"	166.071023	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"334391"	157.5577495	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"727905"	231.5763495	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1482819"	83.5391495	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"394571"	319.063618	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"760307"	467.100818	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1606217"	171.026418	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"315645"	160.035447	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"710864"	234.054047	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1472344"	86.016847	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1066319"	57.6803233333333	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1266173"	181.070686	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"386933"	335.037558	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"742461"	483.074758	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1540259"	187.000358	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"299866"	168.022417	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"697391"	242.041017	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1447928"	94.003817	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"239813"	338.108226	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1210938"	190.071026	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1196409"	95.539151	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"193658"	341.04556	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"631032"	489.08276	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1140006"	193.00836	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"181113"	171.026418	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"621770"	245.045018	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1128560"	97.007818	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1412083"	65.0076373333333	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1440917"	195.049946	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"230611"	176.05944	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1517579"	209.10199	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"415078"	179.013388	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"778262"	253.031988	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1675690"	104.994788	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"256741"	360.090168	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1232730"	212.052968	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1720521"	212.076493	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1185878"	72.3349513333333	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1656863"	217.031888	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"170285"	372.99344	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"606565"	521.03064	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1089983"	224.95624	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"147892"	187.000358	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"591826"	261.018958	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1076338"	112.981758	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1105175"	226.970792	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1340467"	227.058407	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1010088"	231.097576	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1525665"	232.091208	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"992110"	116.052426	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1590266"	233.005828	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1415562"	263.037338	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1148040"	136.565701	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1705614"	280.063885	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1648920"	285.01928	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1578009"	300.99322	"C02614"	"(S)-2-Methylmalate;(S)-2-Methylmalic acid;(S)-Citramalate;(S)-Citramalic acid;(S)-alpha-Hydroxypyrotartaric acid;L-Citramalate;L-Citramalic acid;L-alpha-Hydroxypyrotartaric acid;(2S)-2-Hydroxy-2-methylbutanedioate;(S)-2-Hydroxy-2-methylsuccinic acid"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"816031"	133.0528	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M"	0
"976443"	114.03441	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-H2O-H"	-19.01839
"64680"	87.6945906666667	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M-3H"	-3.021828
"503511"	132.045524	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M-3H"	-3.021828
"882043"	43.3436573333333	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-3H"	-3.021828
"3542"	132.045524	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M-2H"	-2.014552
"451493"	198.571924	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M-2H"	-2.014552
"826744"	65.519124	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-2H"	-2.014552
"85642"	265.098324	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M-H"	-1.007276
"527389"	398.151124	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M-H"	-1.007276
"903002"	132.045524	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-H"	-1.007276
"52999"	282.124871	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M-2H+NH4"	16.019271
"490005"	415.177671	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M-2H+NH4"	16.019271
"874737"	149.072071	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-2H+NH4"	16.019271
"37169"	287.080266	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M-2H+Na"	20.974666
"476728"	420.133066	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M-2H+Na"	20.974666
"853439"	154.027466	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-2H+Na"	20.974666
"1628083"	154.027466	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Na-2H"	20.974666
"104974"	150.033863	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M-H+Cl"	33.962126
"544532"	216.560263	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M-H+Cl"	33.962126
"933672"	83.507463	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-H+Cl"	33.962126
"278787"	301.075002	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+Cl"	34.969402
"667927"	434.127802	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+Cl"	34.969402
"1280333"	168.022202	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Cl"	34.969402
"23981"	303.054206	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M-2H+K"	36.948606
"462448"	436.107006	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M-2H+K"	36.948606
"841345"	170.001406	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-2H+K"	36.948606
"1564106"	170.001406	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+K-2H"	36.948606
"950530"	178.050994	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-H+HCOOH"	44.998194
"368743"	311.103801	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+HCOOH-H"	44.998201
"351899"	325.119451	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+Hac-H"	59.013851
"1498178"	192.066651	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Hac-H"	59.013851
"966816"	200.032951	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-H+NaCOOH"	66.980151
"119005"	168.022202	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+2Cl"	69.938804
"555284"	234.548602	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+2Cl"	69.938804
"1026634"	101.495802	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2Cl"	69.938804
"1246213"	211.971685	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Br"	78.918885
"1308662"	214.027672	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Cl+HCOOH"	80.974872
"1324336"	236.009629	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Cl+NaCOOH"	102.956829
"919044"	246.038386	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M-H+CF3COOH"	112.985586
"1291741"	282.015064	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Cl+CF3COOH"	148.962264
"1371726"	98.040124	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H-2H2O"	-35.012676
"1391410"	116.0501	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H-H2O"	-17.0027
"288909"	267.112876	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+H"	1.007276
"678052"	400.165676	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+H"	1.007276
"1354400"	134.060076	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H"	1.007276
"128382"	134.060076	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+2H"	2.014552
"567213"	200.586476	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+2H"	2.014552
"1039655"	67.533676	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2H"	2.014552
"205009"	89.7091426666667	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+3H"	3.021828
"649676"	134.060076	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+3H"	3.021828
"1171081"	45.3582093333333	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+3H"	3.021828
"438734"	284.139423	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+NH4"	18.033823
"796451"	417.192223	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+NH4"	18.033823
"1685128"	151.086623	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+NH4"	18.033823
"334502"	142.5733495	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+H+NH4"	19.041099
"728015"	209.0997495	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+H+NH4"	19.041099
"1484021"	76.0469495	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H+NH4"	19.041099
"402702"	289.094818	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+Na"	22.989218
"762605"	422.147618	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+Na"	22.989218
"1608515"	156.042018	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Na"	22.989218
"316365"	145.051047	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+H+Na"	23.996494
"709880"	211.577447	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+H+Na"	23.996494
"1468444"	78.524647	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H+Na"	23.996494
"1063512"	52.6855233333333	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2H+Na"	25.00377
"1261909"	166.086286	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+CH3OH+H"	33.033486
"385950"	305.068758	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+K"	38.963158
"742571"	438.121558	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+K"	38.963158
"1544624"	172.015958	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+K"	38.963158
"301069"	153.038017	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+H+K"	39.970434
"696408"	219.564417	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+H+K"	39.970434
"1448767"	86.511617	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H+K"	39.970434
"242109"	308.139426	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+ACN+H"	42.033826
"1212992"	175.086626	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+ACN+H"	42.033826
"1195788"	88.046951	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+ACN+2H"	43.041102
"193768"	311.07676	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+2Na-H"	44.97116
"631142"	444.12956	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+2Na-H"	44.97116
"1136836"	178.02396	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2Na-H"	44.97116
"181223"	156.042018	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+2Na"	45.978436
"616411"	222.568418	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+2Na"	45.978436
"1124295"	89.515618	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2Na"	45.978436
"1404170"	60.0128373333333	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H+2Na"	46.985712
"1439931"	180.065546	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H+HCOOH"	47.012746
"227441"	161.07504	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+3H2O+2H"	56.04448
"1517689"	194.11759	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+IsoProp+H"	61.06479
"415188"	164.028988	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+Na+K"	61.952376
"777279"	230.555388	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+Na+K"	61.952376
"1676892"	97.502588	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Na+K"	61.952376
"256851"	330.121368	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+ACN+Na"	64.015768
"1230652"	197.068568	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+ACN+Na"	64.015768
"1715162"	197.092093	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+NH4+HCOOH"	64.039293
"1189268"	67.3401513333333	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+3Na"	68.967654
"1656973"	202.047488	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Na+HCOOH"	68.994688
"167115"	343.02464	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+2K-H"	76.91904
"605582"	476.07744	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+2K-H"	76.91904
"1087906"	209.97184	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2K-H"	76.91904
"146906"	172.015958	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"2M+2K"	77.926316
"591936"	238.542358	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"3M+2K"	77.926316
"1075354"	105.489558	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2K"	77.926316
"1105281"	211.986392	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2K+H"	78.933592
"1341666"	212.074007	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+DMSO+H"	79.021207
"1010202"	216.113176	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2ACN+H"	83.060376
"1525776"	217.106808	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+IsoProp+Na+H"	84.054008
"992221"	108.560226	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+2ACN+2H"	84.067652
"1590376"	218.021428	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+K+HCOOH"	84.968628
"1416402"	248.052938	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+H+CF3COOH"	115.000138
"1148879"	129.073501	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+3ACN+2H"	125.094202
"1705724"	265.079485	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+NH4+CF3COOH"	132.026685
"1649030"	270.03488	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+Na+CF3COOH"	136.98208
"1578119"	286.00882	"C02615"	"(S)-Mandelonitrile;(S)-Benzaldehyde cyanohydrin"	"C8H7NO"	"133.0528"	"M+K+CF3COOH"	152.95602
"808487"	158.0368	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M"	0
"978741"	139.01841	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H2O-H"	-19.01839
"64430"	104.350590666667	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-3H"	-3.021828
"504351"	157.029524	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-3H"	-3.021828
"881060"	51.6716573333333	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-3H"	-3.021828
"2195"	157.029524	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H"	-2.014552
"450873"	236.047924	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H"	-2.014552
"826855"	78.011124	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H"	-2.014552
"85752"	315.066324	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-H"	-1.007276
"526407"	473.103124	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-H"	-1.007276
"903113"	157.029524	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H"	-1.007276
"53112"	332.092871	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H+NH4"	16.019271
"498142"	490.129671	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H+NH4"	16.019271
"867193"	174.056071	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H+NH4"	16.019271
"33027"	337.048266	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H+Na"	20.974666
"474655"	495.085066	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H+Na"	20.974666
"856832"	179.011466	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H+Na"	20.974666
"1626370"	179.011466	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na-2H"	20.974666
"105081"	175.017863	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-H+Cl"	33.962126
"542455"	254.036263	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-H+Cl"	33.962126
"932688"	95.999463	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+Cl"	33.962126
"273431"	351.043002	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Cl"	34.969402
"668039"	509.079802	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+Cl"	34.969402
"1280441"	193.006202	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl"	34.969402
"22998"	353.022206	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H+K"	36.948606
"463653"	511.059006	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H+K"	36.948606
"841457"	194.985406	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H+K"	36.948606
"1562030"	194.985406	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K-2H"	36.948606
"951733"	203.034994	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+HCOOH"	44.998194
"367399"	361.071801	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+HCOOH-H"	44.998201
"350550"	375.087451	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Hac-H"	59.013851
"1501570"	217.050651	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Hac-H"	59.013851
"965832"	225.016951	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+NaCOOH"	66.980151
"118023"	193.006202	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2Cl"	69.938804
"558675"	272.024602	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2Cl"	69.938804
"1030756"	113.987802	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2Cl"	69.938804
"1250699"	236.955685	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Br"	78.918885
"1306221"	239.011672	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl+HCOOH"	80.974872
"1324082"	260.993629	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl+NaCOOH"	102.956829
"918061"	271.022386	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+CF3COOH"	112.985586
"1292582"	306.999064	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl+CF3COOH"	148.962264
"1378399"	123.024124	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H-2H2O"	-35.012676
"1385687"	141.0341	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H-H2O"	-17.0027
"286832"	317.080876	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H"	1.007276
"676696"	475.117676	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H"	1.007276
"1351666"	159.044076	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H"	1.007276
"127393"	159.044076	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2H"	2.014552
"567687"	238.062476	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2H"	2.014552
"1039038"	80.025676	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2H"	2.014552
"210226"	106.365142666667	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+3H"	3.021828
"650879"	159.044076	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+3H"	3.021828
"1173747"	53.6862093333333	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+3H"	3.021828
"434466"	334.107423	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+NH4"	18.033823
"795467"	492.144223	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+NH4"	18.033823
"1689609"	176.070623	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+NH4"	18.033823
"335701"	167.5573495	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H+NH4"	19.041099
"729215"	246.5757495	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H+NH4"	19.041099
"1484133"	88.5389495	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+NH4"	19.041099
"399532"	339.062818	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Na"	22.989218
"759433"	497.099618	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+Na"	22.989218
"1607531"	181.026018	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na"	22.989218
"317933"	170.035047	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H+Na"	23.996494
"710718"	249.053447	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H+Na"	23.996494
"1467097"	91.016647	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+Na"	23.996494
"1060343"	61.0135233333333	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2H+Na"	25.00377
"1262020"	191.070286	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+CH3OH+H"	33.033486
"379499"	355.036758	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+K"	38.963158
"743776"	513.073558	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+K"	38.963158
"1541813"	196.999958	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K"	38.963158
"300815"	178.022017	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H+K"	39.970434
"692871"	257.040417	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H+K"	39.970434
"1449606"	99.003617	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+K"	39.970434
"242220"	358.107426	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+ACN+H"	42.033826
"1213466"	200.070626	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+ACN+H"	42.033826
"1196986"	100.538951	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+ACN+2H"	43.041102
"190227"	361.04476	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2Na-H"	44.97116
"629786"	519.08156	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2Na-H"	44.97116
"1133292"	203.00796	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2Na-H"	44.97116
"180236"	181.026018	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2Na"	45.978436
"613722"	260.044418	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2Na"	45.978436
"1120754"	102.007618	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2Na"	45.978436
"1402092"	68.3408373333333	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+2Na"	46.985712
"1433842"	205.049546	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+HCOOH"	47.012746
"225362"	186.05904	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+3H2O+2H"	56.04448
"1516709"	219.10159	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+IsoProp+H"	61.06479
"416395"	189.012988	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Na+K"	61.952376
"778483"	268.031388	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+Na+K"	61.952376
"1675909"	109.994588	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na+K"	61.952376
"260243"	380.089368	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+ACN+Na"	64.015768
"1234045"	222.052568	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+ACN+Na"	64.015768
"1722931"	222.076093	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+NH4+HCOOH"	64.039293
"1187194"	75.6681513333333	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+3Na"	68.967654
"1657086"	227.031488	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na+HCOOH"	68.994688
"167226"	392.99264	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2K-H"	76.91904
"600225"	551.02944	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2K-H"	76.91904
"1086922"	234.95584	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2K-H"	76.91904
"144102"	196.999958	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2K"	77.926316
"584391"	276.018358	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2K"	77.926316
"1074371"	117.981558	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2K"	77.926316
"1103206"	236.970392	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2K+H"	78.933592
"1338863"	237.058007	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+DMSO+H"	79.021207
"1008489"	241.097176	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2ACN+H"	83.060376
"1525763"	242.090808	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+IsoProp+Na+H"	84.054008
"992696"	121.052226	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2ACN+2H"	84.067652
"1589393"	243.005428	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K+HCOOH"	84.968628
"1418339"	273.036938	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+CF3COOH"	115.000138
"1148627"	141.565501	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+3ACN+2H"	125.094202
"1709115"	290.063485	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+NH4+CF3COOH"	132.026685
"1649140"	295.01888	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na+CF3COOH"	136.98208
"1581509"	310.99282	"C02617"	"14-Naphthoquinone;14-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K+CF3COOH"	152.95602
"808597"	264.1838	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M"	0
"978851"	245.16541	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H2O-H"	-19.01839
"68186"	175.115257333333	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-3H"	-3.021828
"504826"	263.176524	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-3H"	-3.021828
"883359"	87.0539906666667	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-3H"	-3.021828
"11781"	263.176524	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H"	-2.014552
"451347"	395.268424	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H"	-2.014552
"827694"	131.084624	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H"	-2.014552
"85862"	527.360324	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-H"	-1.007276
"525421"	791.544124	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-H"	-1.007276
"904316"	263.176524	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H"	-1.007276
"56503"	544.386871	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H+NH4"	16.019271
"496063"	808.570671	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H+NH4"	16.019271
"870583"	280.203071	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H+NH4"	16.019271
"33137"	549.342266	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H+Na"	20.974666
"473670"	813.526066	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H+Na"	20.974666
"858036"	285.158466	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H+Na"	20.974666
"1624294"	285.158466	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na-2H"	20.974666
"104098"	281.164863	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-H+Cl"	33.962126
"544751"	413.256763	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-H+Cl"	33.962126
"938264"	149.072963	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+Cl"	33.962126
"279739"	563.337002	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Cl"	34.969402
"668148"	827.520802	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+Cl"	34.969402
"1282738"	299.153202	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl"	34.969402
"25295"	565.316206	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H+K"	36.948606
"464857"	829.500006	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H+K"	36.948606
"841567"	301.132406	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H+K"	36.948606
"1563233"	301.132406	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K-2H"	36.948606
"950750"	309.181994	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+HCOOH"	44.998194
"372246"	573.365801	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+HCOOH-H"	44.998201
"353940"	587.381451	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Hac-H"	59.013851
"1502773"	323.197651	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Hac-H"	59.013851
"969222"	331.163951	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+NaCOOH"	66.980151
"119227"	299.153202	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2Cl"	69.938804
"560973"	431.245102	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2Cl"	69.938804
"1031596"	167.061302	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2Cl"	69.938804
"1249716"	343.102685	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Br"	78.918885
"1310706"	345.158672	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl+HCOOH"	80.974872
"1324192"	367.140629	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl+NaCOOH"	102.956829
"915985"	377.169386	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+CF3COOH"	112.985586
"1292692"	413.146064	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl+CF3COOH"	148.962264
"1374136"	229.171124	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H-2H2O"	-35.012676
"1388349"	247.1811	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H-H2O"	-17.0027
"289130"	529.374876	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H"	1.007276
"677540"	793.558676	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H"	1.007276
"1351696"	265.191076	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H"	1.007276
"126773"	265.191076	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2H"	2.014552
"566090"	397.282976	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2H"	2.014552
"1037809"	133.099176	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2H"	2.014552
"212523"	177.129809333333	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+3H"	3.021828
"649896"	265.191076	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+3H"	3.021828
"1171307"	89.0685426666667	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+3H"	3.021828
"432387"	546.401423	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+NH4"	18.033823
"801010"	810.585223	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+NH4"	18.033823
"1695917"	282.217623	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+NH4"	18.033823
"342372"	273.7043495	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H+NH4"	19.041099
"734796"	405.7962495	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H+NH4"	19.041099
"1485337"	141.6124495	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+NH4"	19.041099
"401830"	551.356818	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Na"	22.989218
"765013"	815.540618	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+Na"	22.989218
"1612016"	287.173018	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na"	22.989218
"322053"	276.182047	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H+Na"	23.996494
"715567"	408.273947	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H+Na"	23.996494
"1474861"	144.090147	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+Na"	23.996494
"1065921"	96.3958566666667	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2H+Na"	25.00377
"1264316"	297.217286	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+CH3OH+H"	33.033486
"389450"	567.330758	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+K"	38.963158
"747166"	831.514558	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+K"	38.963158
"1547030"	303.146958	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K"	38.963158
"310770"	284.169017	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H+K"	39.970434
"701004"	416.260917	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H+K"	39.970434
"1453731"	152.077117	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+K"	39.970434
"246704"	570.401426	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+ACN+H"	42.033826
"1213942"	306.217626	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+ACN+H"	42.033826
"1196009"	153.612451	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+ACN+2H"	43.041102
"192892"	573.33876	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2Na-H"	44.97116
"631355"	837.52256	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2Na-H"	44.97116
"1131821"	309.15496	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2Na-H"	44.97116
"184719"	287.173018	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2Na"	45.978436
"616993"	419.264918	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2Na"	45.978436
"1123417"	155.081118	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2Na"	45.978436
"1405848"	103.723170666667	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+2Na"	46.985712
"1439419"	311.196546	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+HCOOH"	47.012746
"229482"	292.20604	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+3H2O+2H"	56.04448
"1520099"	325.24859	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+H"	61.06479
"421972"	295.159988	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Na+K"	61.952376
"778593"	427.251888	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+Na+K"	61.952376
"1680393"	163.068088	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na+K"	61.952376
"266878"	592.383368	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+ACN+Na"	64.015768
"1234155"	328.199568	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+ACN+Na"	64.015768
"1725228"	328.223093	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+NH4+HCOOH"	64.039293
"1189490"	111.050484666667	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+3Na"	68.967654
"1661569"	333.178488	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na+HCOOH"	68.994688
"164056"	605.28664	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2K-H"	76.91904
"601428"	869.47044	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2K-H"	76.91904
"1087032"	341.10284	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2K-H"	76.91904
"147128"	303.146958	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2K"	77.926316
"585227"	435.238858	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2K"	77.926316
"1075575"	171.055058	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2K"	77.926316
"1107690"	343.117392	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2K+H"	78.933592
"1339702"	343.205007	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+DMSO+H"	79.021207
"1011516"	347.244176	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2ACN+H"	83.060376
"1526363"	348.237808	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+Na+H"	84.054008
"990987"	174.125726	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2ACN+2H"	84.067652
"1593878"	349.152428	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K+HCOOH"	84.968628
"1420636"	379.183938	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+CF3COOH"	115.000138
"1152017"	194.639001	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+3ACN+2H"	125.094202
"1709225"	396.210485	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+NH4+CF3COOH"	132.026685
"1648157"	401.16588	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na+CF3COOH"	136.98208
"1578339"	417.13982	"C02621"	"13-Hydroxylupanine;13-Hydroxylupinine;()-13alpha-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K+CF3COOH"	152.95602
"809801"	161.9639	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M"	0
"984429"	142.94551	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H2O-H"	-19.01839
"66109"	106.968657333333	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-3H"	-3.021828
"503966"	160.956624	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-3H"	-3.021828
"882376"	52.9806906666667	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-3H"	-3.021828
"15173"	160.956624	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H"	-2.014552
"452187"	241.938574	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H"	-2.014552
"829264"	79.974674	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H"	-2.014552
"87066"	322.920524	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-H"	-1.007276
"529906"	484.884424	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-H"	-1.007276
"909896"	160.956624	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H"	-1.007276
"59895"	339.947071	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+NH4"	16.019271
"497266"	501.910971	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+NH4"	16.019271
"872881"	177.983171	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+NH4"	16.019271
"38594"	344.902466	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+Na"	20.974666
"473292"	506.866366	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+Na"	20.974666
"859239"	182.938566	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+Na"	20.974666
"1628778"	182.938566	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na-2H"	20.974666
"106396"	178.944963	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-H+Cl"	33.962126
"545590"	259.926913	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-H+Cl"	33.962126
"937282"	97.963013	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+Cl"	33.962126
"278756"	358.897202	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Cl"	34.969402
"669353"	520.861102	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Cl"	34.969402
"1281757"	196.933302	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl"	34.969402
"27227"	360.876406	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+K"	36.948606
"467155"	522.840306	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+K"	36.948606
"844958"	198.912506	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+K"	36.948606
"1566260"	198.912506	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K-2H"	36.948606
"953048"	206.962094	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+HCOOH"	44.998194
"372357"	368.926001	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+HCOOH-H"	44.998201
"357332"	382.941651	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Hac-H"	59.013851
"1505070"	220.977751	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Hac-H"	59.013851
"967149"	228.944051	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+NaCOOH"	66.980151
"118609"	196.933302	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Cl"	69.938804
"559990"	277.915252	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Cl"	69.938804
"1028789"	115.951352	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Cl"	69.938804
"1248372"	240.882785	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Br"	78.918885
"1313003"	242.938772	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+HCOOH"	80.974872
"1325034"	264.920729	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+NaCOOH"	102.956829
"917188"	274.949486	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+CF3COOH"	112.985586
"1292802"	310.926164	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+CF3COOH"	148.962264
"1372423"	126.951224	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H-2H2O"	-35.012676
"1385544"	144.9612	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H-H2O"	-17.0027
"289240"	324.935076	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H"	1.007276
"678015"	486.898976	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H"	1.007276
"1351805"	162.971176	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H"	1.007276
"126157"	162.971176	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2H"	2.014552
"565790"	243.953126	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2H"	2.014552
"1037675"	81.989226	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2H"	2.014552
"205463"	108.983209333333	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+3H"	3.021828
"648912"	162.971176	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+3H"	3.021828
"1174695"	54.9952426666667	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3H"	3.021828
"436879"	341.961623	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+NH4"	18.033823
"799696"	503.925523	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+NH4"	18.033823
"1695297"	179.997723	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4"	18.033823
"342120"	171.4844495	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+NH4"	19.041099
"733813"	252.4663995	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+NH4"	19.041099
"1492374"	90.5024995	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+NH4"	19.041099
"403033"	346.917018	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Na"	22.989218
"764028"	508.880918	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Na"	22.989218
"1613219"	184.953118	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na"	22.989218
"325443"	173.962147	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+Na"	23.996494
"715677"	254.944097	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+Na"	23.996494
"1466587"	92.980197	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+Na"	23.996494
"1061655"	62.3225566666667	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2H+Na"	25.00377
"1260419"	194.997386	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+CH3OH+H"	33.033486
"385188"	362.890958	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+K"	38.963158
"749464"	524.854858	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+K"	38.963158
"1546048"	200.927058	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K"	38.963158
"306505"	181.949117	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+K"	39.970434
"702208"	262.931067	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+K"	39.970434
"1453839"	100.967167	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+K"	39.970434
"246813"	365.961626	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+ACN+H"	42.033826
"1211870"	203.997726	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+H"	42.033826
"1194662"	102.502501	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+2H"	43.041102
"194097"	368.89896	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Na-H"	44.97116
"632563"	530.86286	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Na-H"	44.97116
"1132537"	206.93506	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Na-H"	44.97116
"179730"	184.953118	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Na"	45.978436
"619655"	265.935068	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Na"	45.978436
"1128630"	103.971168	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Na"	45.978436
"1406321"	69.6498706666667	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+2Na"	46.985712
"1440259"	208.976646	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+HCOOH"	47.012746
"228861"	189.98614	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+3H2O+2H"	56.04448
"1511089"	223.02869	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+H"	61.06479
"415519"	192.940088	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Na+K"	61.952376
"780891"	273.922038	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Na+K"	61.952376
"1680140"	111.958138	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+K"	61.952376
"266054"	387.943568	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+ACN+Na"	64.015768
"1238639"	225.979668	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+Na"	64.015768
"1725338"	226.003193	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4+HCOOH"	64.039293
"1192760"	76.9771846666667	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3Na"	68.967654
"1662774"	230.958588	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+HCOOH"	68.994688
"170727"	400.84684	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2K-H"	76.91904
"605913"	562.81074	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2K-H"	76.91904
"1088237"	238.88294	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K-H"	76.91904
"142744"	200.927058	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2K"	77.926316
"583520"	281.909008	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2K"	77.926316
"1070944"	119.945108	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K"	77.926316
"1109988"	240.897492	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K+H"	78.933592
"1340904"	240.985107	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+DMSO+H"	79.021207
"1009439"	245.024276	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2ACN+H"	83.060376
"1528661"	246.017908	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+Na+H"	84.054008
"992188"	123.015776	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2ACN+2H"	84.067652
"1596179"	246.932528	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K+HCOOH"	84.968628
"1429857"	276.964038	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+CF3COOH"	115.000138
"1155408"	143.529051	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3ACN+2H"	125.094202
"1710432"	293.990585	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4+CF3COOH"	132.026685
"1647174"	298.94598	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+CF3COOH"	136.98208
"1575170"	314.91992	"C02625"	"24-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K+CF3COOH"	152.95602
"808818"	162.1004	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M"	0
"976154"	143.08201	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-H2O-H"	-19.01839
"62972"	107.059657333333	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M-3H"	-3.021828
"505049"	161.093124	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M-3H"	-3.021828
"881757"	53.0261906666667	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-3H"	-3.021828
"13096"	161.093124	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M-2H"	-2.014552
"450475"	242.143324	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M-2H"	-2.014552
"829372"	80.042924	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-2H"	-2.014552
"83896"	323.193524	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M-H"	-1.007276
"530016"	485.293924	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M-H"	-1.007276
"906724"	161.093124	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-H"	-1.007276
"58910"	340.220071	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M-2H+NH4"	16.019271
"497376"	502.320471	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M-2H+NH4"	16.019271
"871898"	178.119671	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-2H+NH4"	16.019271
"35424"	345.175466	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M-2H+Na"	20.974666
"473281"	507.275866	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M-2H+Na"	20.974666
"859349"	183.075066	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-2H+Na"	20.974666
"1631075"	183.075066	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Na-2H"	20.974666
"107966"	179.081463	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M-H+Cl"	33.962126
"543878"	260.131663	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M-H+Cl"	33.962126
"937392"	98.031263	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-H+Cl"	33.962126
"279228"	359.170202	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+Cl"	34.969402
"669463"	521.270602	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+Cl"	34.969402
"1282958"	197.069802	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Cl"	34.969402
"27702"	361.149406	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M-2H+K"	36.948606
"463985"	523.249806	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M-2H+K"	36.948606
"843973"	199.049006	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-2H+K"	36.948606
"1569651"	199.049006	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+K-2H"	36.948606
"954252"	207.098594	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-H+HCOOH"	44.998194
"370281"	369.199001	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+HCOOH-H"	44.998201
"354166"	383.214651	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+Hac-H"	59.013851
"1504090"	221.114251	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Hac-H"	59.013851
"968352"	229.080551	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-H+NaCOOH"	66.980151
"119447"	197.069802	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+2Cl"	69.938804
"559006"	278.120002	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+2Cl"	69.938804
"1031086"	116.019602	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2Cl"	69.938804
"1250667"	241.019285	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Br"	78.918885
"1314206"	243.075272	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Cl+HCOOH"	80.974872
"1325872"	265.057229	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Cl+NaCOOH"	102.956829
"917298"	275.085986	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M-H+CF3COOH"	112.985586
"1292912"	311.062664	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Cl+CF3COOH"	148.962264
"1369250"	127.087724	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H-2H2O"	-35.012676
"1391851"	145.0977	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H-H2O"	-17.0027
"289349"	325.208076	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+H"	1.007276
"677397"	487.308476	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+H"	1.007276
"1354472"	163.107676	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H"	1.007276
"127362"	163.107676	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+2H"	2.014552
"566921"	244.157876	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+2H"	2.014552
"1037909"	82.057476	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2H"	2.014552
"205200"	109.074209333333	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+3H"	3.021828
"645984"	163.107676	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+3H"	3.021828
"1176632"	55.0407426666667	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+3H"	3.021828
"438813"	342.234623	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+NH4"	18.033823
"799806"	504.335023	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+NH4"	18.033823
"1696143"	180.134223	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+NH4"	18.033823
"341868"	171.6209495	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+H+NH4"	19.041099
"734652"	252.6711495	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+H+NH4"	19.041099
"1486650"	90.5707495	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H+NH4"	19.041099
"403144"	347.190018	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+Na"	22.989218
"763046"	509.290418	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+Na"	22.989218
"1612966"	185.089618	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Na"	22.989218
"324824"	174.098647	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+H+Na"	23.996494
"716516"	255.148847	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+H+Na"	23.996494
"1465606"	93.048447	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H+Na"	23.996494
"1058850"	62.3680566666667	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2H+Na"	25.00377
"1259435"	195.133886	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+CH3OH+H"	33.033486
"384205"	363.163958	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+K"	38.963158
"746291"	525.264358	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+K"	38.963158
"1545064"	201.063558	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+K"	38.963158
"304427"	182.085617	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+H+K"	39.970434
"701224"	263.135817	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+H+K"	39.970434
"1452855"	101.035417	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H+K"	39.970434
"244736"	366.234626	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+ACN+H"	42.033826
"1211980"	204.134226	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+ACN+H"	42.033826
"1195865"	102.570751	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+ACN+2H"	43.041102
"193114"	369.17196	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+2Na-H"	44.97116
"632673"	531.27236	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+2Na-H"	44.97116
"1132528"	207.07156	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2Na-H"	44.97116
"180933"	185.089618	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+2Na"	45.978436
"621953"	266.139818	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+2Na"	45.978436
"1125094"	104.039418	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2Na"	45.978436
"1407162"	69.6953706666667	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H+2Na"	46.985712
"1437090"	209.113146	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H+HCOOH"	47.012746
"226784"	190.12264	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+3H2O+2H"	56.04448
"1509377"	223.16519	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+H"	61.06479
"417815"	193.076588	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+Na+K"	61.952376
"778813"	274.126788	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+Na+K"	61.952376
"1676239"	112.026388	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Na+K"	61.952376
"266528"	388.216568	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+ACN+Na"	64.015768
"1235469"	226.116168	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+ACN+Na"	64.015768
"1723261"	226.139693	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+NH4+HCOOH"	64.039293
"1190805"	77.0226846666667	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+3Na"	68.967654
"1660696"	231.095088	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Na+HCOOH"	68.994688
"170837"	401.11984	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+2K-H"	76.91904
"603837"	563.22024	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+2K-H"	76.91904
"1087255"	239.01944	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2K-H"	76.91904
"145165"	201.063558	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"2M+2K"	77.926316
"585817"	282.113758	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"3M+2K"	77.926316
"1072514"	120.013358	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2K"	77.926316
"1104630"	241.033992	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2K+H"	78.933592
"1342108"	241.121607	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+DMSO+H"	79.021207
"1008452"	245.160776	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2ACN+H"	83.060376
"1530959"	246.154408	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+Na+H"	84.054008
"994125"	123.084026	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+2ACN+2H"	84.067652
"1598477"	247.069028	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+K+HCOOH"	84.968628
"1429365"	277.100538	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+H+CF3COOH"	115.000138
"1155518"	143.597301	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+3ACN+2H"	125.094202
"1710541"	294.127085	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+NH4+CF3COOH"	132.026685
"1646191"	299.08248	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+Na+CF3COOH"	136.98208
"1575280"	315.05642	"C02627"	"2-Deoxystreptamine"	"C6H14N2O3"	"162.1004"	"M+K+CF3COOH"	152.95602
"808928"	246.144	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M"	0
"975900"	227.12561	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-H2O-H"	-19.01839
"63223"	163.088724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M-3H"	-3.021828
"504795"	245.136724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M-3H"	-3.021828
"881503"	81.040724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-3H"	-3.021828
"9926"	245.136724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M-2H"	-2.014552
"450583"	368.208724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M-2H"	-2.014552
"830212"	122.064724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-2H"	-2.014552
"86192"	491.280724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M-H"	-1.007276
"526844"	737.424724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M-H"	-1.007276
"905738"	245.136724	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-H"	-1.007276
"55738"	508.307271	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M-2H+NH4"	16.019271
"498579"	754.451271	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M-2H+NH4"	16.019271
"870915"	262.163271	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-2H+NH4"	16.019271
"35534"	513.262666	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M-2H+Na"	20.974666
"471414"	759.406666	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M-2H+Na"	20.974666
"856179"	267.118666	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-2H+Na"	20.974666
"1631913"	267.118666	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Na-2H"	20.974666
"106252"	263.125063	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M-H+Cl"	33.962126
"540708"	386.197063	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M-H+Cl"	33.962126
"932035"	140.053063	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-H+Cl"	33.962126
"269862"	527.257402	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+Cl"	34.969402
"668480"	773.401402	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+Cl"	34.969402
"1279788"	281.113402	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Cl"	34.969402
"23437"	529.236606	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M-2H+K"	36.948606
"465188"	775.380606	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M-2H+K"	36.948606
"842991"	283.092606	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-2H+K"	36.948606
"1567570"	283.092606	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+K-2H"	36.948606
"952174"	291.142194	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-H+HCOOH"	44.998194
"371485"	537.286201	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+HCOOH-H"	44.998201
"355369"	551.301851	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+Hac-H"	59.013851
"1505290"	305.157851	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Hac-H"	59.013851
"968462"	313.124151	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-H+NaCOOH"	66.980151
"119557"	281.113402	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+2Cl"	69.938804
"560208"	404.185402	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+2Cl"	69.938804
"1030102"	158.041402	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2Cl"	69.938804
"1248591"	325.062885	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Br"	78.918885
"1313223"	327.118872	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Cl+HCOOH"	80.974872
"1327441"	349.100829	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Cl+NaCOOH"	102.956829
"917408"	359.129586	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M-H+CF3COOH"	112.985586
"1293022"	395.106264	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Cl+CF3COOH"	148.962264
"1369360"	211.131324	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H-2H2O"	-35.012676
"1393054"	229.1413	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H-H2O"	-17.0027
"288366"	493.295276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+H"	1.007276
"680786"	739.439276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+H"	1.007276
"1353853"	247.151276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H"	1.007276
"128201"	247.151276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+2H"	2.014552
"567151"	370.223276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+2H"	2.014552
"1038990"	124.079276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2H"	2.014552
"205552"	165.103276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+3H"	3.021828
"645973"	247.151276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+3H"	3.021828
"1173462"	83.055276	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+3H"	3.021828
"439050"	510.321823	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+NH4"	18.033823
"799187"	756.465823	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+NH4"	18.033823
"1694063"	264.177823	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+NH4"	18.033823
"344657"	255.6645495	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+H+NH4"	19.041099
"736587"	378.7365495	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+H+NH4"	19.041099
"1487854"	132.5925495	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H+NH4"	19.041099
"402891"	515.277218	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+Na"	22.989218
"768624"	761.421218	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+Na"	22.989218
"1613805"	269.133218	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Na"	22.989218
"324204"	258.142247	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+H+Na"	23.996494
"714803"	381.214247	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+H+Na"	23.996494
"1464621"	135.070247	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H+Na"	23.996494
"1057502"	90.38259	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2H+Na"	25.00377
"1259908"	279.177486	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+CH3OH+H"	33.033486
"383222"	531.251158	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+K"	38.963158
"747494"	777.395158	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+K"	38.963158
"1546267"	285.107158	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+K"	38.963158
"304537"	266.129217	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+H+K"	39.970434
"701333"	389.201217	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+H+K"	39.970434
"1452965"	143.057217	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H+K"	39.970434
"244847"	534.321826	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+ACN+H"	42.033826
"1213182"	288.177826	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+ACN+H"	42.033826
"1197067"	144.592551	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+ACN+2H"	43.041102
"192128"	537.25916	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+2Na-H"	44.97116
"630228"	783.40316	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+2Na-H"	44.97116
"1133121"	291.11516	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2Na-H"	44.97116
"183959"	269.133218	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+2Na"	45.978436
"619512"	392.205218	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+2Na"	45.978436
"1125934"	146.061218	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2Na"	45.978436
"1411282"	97.709904	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H+2Na"	46.985712
"1437200"	293.156746	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H+HCOOH"	47.012746
"225801"	274.16624	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+3H2O+2H"	56.04448
"1509001"	307.20879	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+IsoProp+H"	61.06479
"419018"	277.120188	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+Na+K"	61.952376
"778922"	400.192188	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+Na+K"	61.952376
"1680481"	154.048188	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Na+K"	61.952376
"266762"	556.303768	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+ACN+Na"	64.015768
"1240928"	310.159768	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+ACN+Na"	64.015768
"1723371"	310.183293	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+NH4+HCOOH"	64.039293
"1193103"	105.037218	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+3Na"	68.967654
"1662993"	315.138688	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Na+HCOOH"	68.994688
"168760"	569.20704	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+2K-H"	76.91904
"603947"	815.35104	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+2K-H"	76.91904
"1089551"	323.06304	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2K-H"	76.91904
"145275"	285.107158	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"2M+2K"	77.926316
"584833"	408.179158	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"3M+2K"	77.926316
"1072624"	162.035158	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2K"	77.926316
"1106928"	325.077592	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2K+H"	78.933592
"1342218"	325.165207	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+DMSO+H"	79.021207
"1008927"	329.204376	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2ACN+H"	83.060376
"1527789"	330.198008	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+IsoProp+Na+H"	84.054008
"993141"	165.105826	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+2ACN+2H"	84.067652
"1597494"	331.112628	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+K+HCOOH"	84.968628
"1429596"	361.144138	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+H+CF3COOH"	115.000138
"1155628"	185.619101	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+3ACN+2H"	125.094202
"1711744"	378.170685	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+NH4+CF3COOH"	132.026685
"1646301"	383.12608	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+Na+CF3COOH"	136.98208
"1575390"	399.10002	"C02628"	"2-Deoxystreptidine;NN-Bis(aminoiminomethyl)-2-deoxy-streptamine"	"C8H18N6O3"	"246.144"	"M+K+CF3COOH"	152.95602
"809038"	148.0372	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M"	0
"976010"	129.01881	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"65347"	97.6841906666667	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"509279"	147.029924	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"881613"	48.3384573333333	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"8942"	147.029924	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"447409"	221.048524	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"824119"	73.011324	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"87392"	295.067124	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"522579"	443.104324	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"905848"	147.029924	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"55848"	312.093671	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"489941"	460.130871	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"872118"	164.056471	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"35644"	317.049066	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"471592"	465.086266	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"853008"	169.011866	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1632147"	169.011866	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"103446"	165.018263	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"537538"	239.036863	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"932145"	90.999663	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"269972"	331.043802	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"661783"	479.081002	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1274795"	183.006602	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"19173"	333.023006	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"463111"	481.060206	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"842736"	184.985806	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1566223"	184.985806	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"953377"	193.035394	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"371591"	341.072601	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"357662"	355.088251	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1502120"	207.051051	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"965290"	215.017351	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"119666"	183.006602	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"561412"	257.025202	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1025837"	108.988002	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1249793"	226.956085	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1311146"	229.012072	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1328644"	250.994029	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"917518"	261.022786	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1293132"	296.999464	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1370198"	113.024524	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1392070"	131.0345	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"291756"	297.081676	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"678709"	445.118876	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1353232"	149.044476	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"128309"	149.044476	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"566284"	223.063076	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1038123"	75.025876	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"204361"	99.6987426666667	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"647055"	149.044476	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1171745"	50.3530093333333	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"439401"	314.108223	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"799662"	462.145423	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1695628"	166.071023	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"342817"	157.5577495	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"736696"	231.5763495	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1491615"	83.5391495	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"405916"	319.063618	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"768613"	467.100818	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1615374"	171.026418	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"325771"	160.035447	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"718192"	234.054047	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1464730"	86.016847	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1058704"	57.6803233333333	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1259290"	181.070686	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"387704"	335.037558	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"750521"	483.074758	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1549657"	187.000358	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"310113"	168.022417	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"702535"	242.041017	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1455261"	94.003817	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"248235"	338.108226	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1213292"	190.071026	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1197176"	95.539151	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"192238"	341.04556	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"629245"	489.08276	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1133233"	193.00836	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"183705"	171.026418	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"624363"	245.045018	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1128231"	97.007818	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1408478"	65.0076373333333	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1440229"	195.049946	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"228098"	176.05944	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1511057"	209.10199	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"420222"	179.013388	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"777939"	253.031988	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1677554"	104.994788	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"265168"	360.090168	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1237875"	212.052968	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1722387"	212.076493	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1191023"	72.3349513333333	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1663103"	217.031888	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"160122"	372.99344	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"607338"	521.03064	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1091849"	224.95624	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"146478"	187.000358	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"583606"	261.018958	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1071641"	112.981758	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1109223"	226.970792	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1345609"	227.058407	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1009766"	231.097576	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1528993"	232.091208	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"992158"	116.052426	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1596511"	233.005828	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1428492"	263.037338	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1155738"	136.565701	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1711733"	280.063885	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1647504"	285.01928	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1575500"	300.99322	"C02630"	"2-Hydroxyglutarate;alpha-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"802584"	158.0579	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M"	0
"976118"	139.03951	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-H2O-H"	-19.01839
"65452"	104.364657333333	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M-3H"	-3.021828
"504282"	157.050624	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M-3H"	-3.021828
"881719"	51.6786906666667	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-3H"	-3.021828
"4674"	157.050624	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M-2H"	-2.014552
"444237"	236.079574	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M-2H"	-2.014552
"818270"	78.021674	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-2H"	-2.014552
"79961"	315.108524	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M-H"	-1.007276
"518906"	473.166424	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M-H"	-1.007276
"895979"	157.050624	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-H"	-1.007276
"49509"	332.135071	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M-2H+NH4"	16.019271
"487606"	490.192971	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M-2H+NH4"	16.019271
"865656"	174.077171	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-2H+NH4"	16.019271
"33197"	337.090466	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M-2H+Na"	20.974666
"474940"	495.148366	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M-2H+Na"	20.974666
"851283"	179.032566	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-2H+Na"	20.974666
"1621546"	179.032566	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Na-2H"	20.974666
"95166"	175.038963	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M-H+Cl"	33.962126
"538733"	254.067913	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M-H+Cl"	33.962126
"931154"	96.010013	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-H+Cl"	33.962126
"270806"	351.085202	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+Cl"	34.969402
"663226"	509.143102	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+Cl"	34.969402
"1274899"	193.027302	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Cl"	34.969402
"18183"	353.064406	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M-2H+K"	36.948606
"458837"	511.122306	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M-2H+K"	36.948606
"835544"	195.006506	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-2H+K"	36.948606
"1557940"	195.006506	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+K-2H"	36.948606
"945457"	203.056094	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-H+HCOOH"	44.998194
"364038"	361.114001	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+HCOOH-H"	44.998201
"348653"	375.129651	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+Hac-H"	59.013851
"1495660"	217.071751	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Hac-H"	59.013851
"960653"	225.038051	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-H+NaCOOH"	66.980151
"114669"	193.027302	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+2Cl"	69.938804
"555320"	272.056252	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+2Cl"	69.938804
"1024849"	113.998352	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2Cl"	69.938804
"1243334"	236.976785	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Br"	78.918885
"1306878"	239.032772	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Cl+HCOOH"	80.974872
"1321823"	261.014729	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Cl+NaCOOH"	102.956829
"918717"	271.043486	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M-H+CF3COOH"	112.985586
"1291414"	307.020164	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Cl+CF3COOH"	148.962264
"1372497"	123.045224	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H-2H2O"	-35.012676
"1385252"	141.0552	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H-H2O"	-17.0027
"284939"	317.123076	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+H"	1.007276
"676990"	475.180976	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+H"	1.007276
"1351518"	159.065176	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H"	1.007276
"126469"	159.065176	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+2H"	2.014552
"566881"	238.094126	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+2H"	2.014552
"1038961"	80.036226	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2H"	2.014552
"206129"	106.379209333333	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+3H"	3.021828
"647516"	159.065176	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+3H"	3.021828
"1165277"	53.6932426666667	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+3H"	3.021828
"428561"	334.149623	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+NH4"	18.033823
"791749"	492.207523	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+NH4"	18.033823
"1693549"	176.091723	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+NH4"	18.033823
"344016"	167.5784495	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+H+NH4"	19.041099
"737897"	246.6073995	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+H+NH4"	19.041099
"1492530"	88.5494995	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H+NH4"	19.041099
"408050"	339.105018	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+Na"	22.989218
"769821"	497.162918	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+Na"	22.989218
"1615843"	181.047118	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Na"	22.989218
"329040"	170.056147	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+H+Na"	23.996494
"722398"	249.085097	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+H+Na"	23.996494
"1468851"	91.027197	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H+Na"	23.996494
"1061002"	61.0205566666667	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2H+Na"	25.00377
"1267055"	191.091386	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+CH3OH+H"	33.033486
"387813"	355.078958	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+K"	38.963158
"749902"	513.136858	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+K"	38.963158
"1551956"	197.021058	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+K"	38.963158
"312411"	178.043117	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+H+K"	39.970434
"704832"	257.072067	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+H+K"	39.970434
"1455374"	99.014167	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H+K"	39.970434
"243976"	358.149626	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+ACN+H"	42.033826
"1217778"	200.091726	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+ACN+H"	42.033826
"1204940"	100.549501	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+ACN+2H"	43.041102
"195623"	361.08696	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+2Na-H"	44.97116
"632993"	519.14486	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+2Na-H"	44.97116
"1133339"	203.02906	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2Na-H"	44.97116
"177614"	181.047118	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+2Na"	45.978436
"618268"	260.076068	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+2Na"	45.978436
"1121775"	102.018168	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2Na"	45.978436
"1403111"	68.3478706666667	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H+2Na"	46.985712
"1433042"	205.070646	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H+HCOOH"	47.012746
"224926"	186.08014	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+3H2O+2H"	56.04448
"1510802"	219.12269	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+IsoProp+H"	61.06479
"408605"	189.034088	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+Na+K"	61.952376
"773673"	268.063038	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+Na+K"	61.952376
"1668912"	110.005138	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Na+K"	61.952376
"255432"	380.131568	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+ACN+Na"	64.015768
"1230329"	222.073668	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+ACN+Na"	64.015768
"1718122"	222.097193	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+NH4+HCOOH"	64.039293
"1188943"	75.6751846666667	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+3Na"	68.967654
"1655555"	227.052588	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Na+HCOOH"	68.994688
"164602"	393.03484	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+2K-H"	76.91904
"600879"	551.09274	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+2K-H"	76.91904
"1088676"	234.97694	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2K-H"	76.91904
"146585"	197.021058	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"2M+2K"	77.926316
"588330"	276.050008	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"3M+2K"	77.926316
"1075029"	117.992108	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2K"	77.926316
"1103867"	236.991492	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2K+H"	78.933592
"1341344"	237.079107	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+DMSO+H"	79.021207
"1012065"	241.118276	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2ACN+H"	83.060376
"1529101"	242.111908	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+IsoProp+Na+H"	84.054008
"991175"	121.062776	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+2ACN+2H"	84.067652
"1598807"	243.026528	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+K+HCOOH"	84.968628
"1428602"	273.058038	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+H+CF3COOH"	115.000138
"1155848"	141.576051	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+3ACN+2H"	125.094202
"1711722"	290.084585	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+NH4+CF3COOH"	132.026685
"1648707"	295.03998	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+Na+CF3COOH"	136.98208
"1575610"	311.01392	"C02631"	"2-Isopropylmaleate;beta-Isopropylmaleate"	"C7H10O4"	"158.0579"	"M+K+CF3COOH"	152.95602
"801584"	88.0524	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M"	0
"979508"	69.03401	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"66656"	57.694324	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"505122"	87.045124	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"882558"	28.343524	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"3691"	87.045124	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"443255"	131.071324	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"817405"	43.018924	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"79099"	175.097524	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"519384"	263.149924	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"896454"	87.045124	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"49010"	192.124071	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"488207"	280.176471	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"866492"	104.071671	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"31849"	197.079466	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"472741"	285.131866	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"849572"	109.027066	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1619833"	109.027066	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"95029"	105.033463	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"535682"	149.059663	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"928469"	61.007263	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"270915"	211.074202	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"664064"	299.126602	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1276104"	123.021802	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"21576"	213.053406	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"463323"	301.105806	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"836384"	125.001006	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1559875"	125.001006	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"945203"	133.050594	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"365244"	221.103001	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"352411"	235.118651	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1493703"	147.066251	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"963313"	155.032551	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"114049"	123.021802	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"555067"	167.048002	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1024596"	78.995602	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1243810"	166.971285	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1311367"	169.027272	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1328866"	191.009229	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"918829"	201.037986	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1295903"	237.014664	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1374794"	53.039724	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1390104"	71.0497	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"287237"	177.112076	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"679292"	265.164476	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1352115"	89.059676	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"126576"	89.059676	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"567235"	133.085876	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1037490"	45.033476	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"205146"	59.708876	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"646533"	89.059676	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1163928"	30.358076	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"428671"	194.138623	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"790765"	282.191023	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1691472"	106.086223	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"343766"	97.5729495	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"736913"	141.5991495	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1491344"	53.5467495	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"401395"	199.094018	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"766763"	287.146418	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1613768"	111.041618	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"321620"	100.050647	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"714039"	144.076847	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1472239"	56.024447	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1060020"	37.68539	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1261697"	121.085886	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"381363"	215.067958	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"745637"	303.120358	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1552064"	127.015558	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"307051"	108.037617	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"699472"	152.063817	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1454387"	64.011417	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"242992"	218.138626	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1215698"	130.086226	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1201770"	65.546751	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"192452"	221.07596	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"633469"	309.12836	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1132962"	133.02356	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"179911"	111.041618	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"618377"	155.067818	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1121885"	67.015418	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1401398"	45.012704	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1434245"	135.065146	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"227224"	116.07464	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1513463"	149.11719	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"411691"	119.028588	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"773783"	163.054788	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1671209"	75.002388	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"258821"	240.120568	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1232626"	152.068168	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1720419"	152.091693	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1189053"	52.340018	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1655665"	157.047088	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"164711"	253.02384	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"602083"	341.07624	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1092065"	164.97144	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"149974"	127.015558	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"590627"	171.041758	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1077326"	82.989358	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1105070"	166.985992	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1342549"	167.073607	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1012175"	171.112776	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1528117"	172.106408	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"991406"	86.060026	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1591259"	173.021028	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1428954"	203.052538	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1155958"	106.573301	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1709886"	220.079085	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1648453"	225.03448	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1575720"	241.00842	"C02632"	"2-Methylpropanoate;2-Methylpropanoic acid;Isobutyric acid;Isobutanoate;Dimethylacetic acid;Isobutyrate"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"809365"	480.3087	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M"	0
"982898"	461.29031	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-H2O-H"	-19.01839
"68952"	319.198524	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M-3H"	-3.021828
"505960"	479.301424	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M-3H"	-3.021828
"886314"	159.095624	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-3H"	-3.021828
"5988"	479.301424	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M-2H"	-2.014552
"451019"	719.455774	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M-2H"	-2.014552
"825538"	239.147074	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-2H"	-2.014552
"79455"	959.610124	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M-H"	-1.007276
"519132"	1439.918824	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M-H"	-1.007276
"897418"	479.301424	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-H"	-1.007276
"48392"	976.636671	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M-2H+NH4"	16.019271
"488683"	1456.945371	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M-2H+NH4"	16.019271
"866239"	496.327971	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-2H+NH4"	16.019271
"33046"	981.592066	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M-2H+Na"	20.974666
"472972"	1461.900766	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M-2H+Na"	20.974666
"849681"	501.283366	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-2H+Na"	20.974666
"1619457"	501.283366	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Na-2H"	20.974666
"94654"	497.289763	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M-H+Cl"	33.962126
"535061"	737.444113	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M-H+Cl"	33.962126
"927726"	257.135413	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-H+Cl"	33.962126
"267862"	995.586802	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+Cl"	34.969402
"661136"	1475.895502	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+Cl"	34.969402
"1275118"	515.278102	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Cl"	34.969402
"18405"	997.566006	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M-2H+K"	36.948606
"456627"	1477.874706	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M-2H+K"	36.948606
"834064"	517.257306	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-2H+K"	36.948606
"1559257"	517.257306	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+K-2H"	36.948606
"944464"	525.306894	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-H+HCOOH"	44.998194
"365355"	1005.615601	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+HCOOH-H"	44.998201
"349238"	1019.631251	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+Hac-H"	59.013851
"1495519"	539.322551	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Hac-H"	59.013851
"965618"	547.288851	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-H+NaCOOH"	66.980151
"114159"	515.278102	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+2Cl"	69.938804
"555177"	755.432452	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+2Cl"	69.938804
"1025071"	275.123752	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2Cl"	69.938804
"1246836"	559.227585	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Br"	78.918885
"1313665"	561.283572	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Cl+HCOOH"	80.974872
"1327883"	583.265529	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Cl+NaCOOH"	102.956829
"923315"	593.294286	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M-H+CF3COOH"	112.985586
"1298929"	629.270964	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Cl+CF3COOH"	148.962264
"1377820"	445.296024	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H-2H2O"	-35.012676
"1391307"	463.306	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H-H2O"	-17.0027
"286983"	961.624676	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+H"	1.007276
"680133"	1441.933376	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+H"	1.007276
"1352104"	481.315976	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H"	1.007276
"126445"	481.315976	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+2H"	2.014552
"566495"	721.470326	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+2H"	2.014552
"1038210"	241.161626	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2H"	2.014552
"204892"	321.213076	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+3H"	3.021828
"646644"	481.315976	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+3H"	3.021828
"1164039"	161.110176	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+3H"	3.021828
"432062"	978.651223	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+NH4"	18.033823
"793062"	1458.959923	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+NH4"	18.033823
"1694862"	498.342523	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+NH4"	18.033823
"345665"	489.8292495	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+H+NH4"	19.041099
"738241"	729.9835995	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+H+NH4"	19.041099
"1492628"	249.6748995	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H+NH4"	19.041099
"406971"	983.606618	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+Na"	22.989218
"769589"	1463.915318	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+Na"	22.989218
"1617158"	503.297918	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Na"	22.989218
"325011"	492.306947	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+H+Na"	23.996494
"715243"	732.461297	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+H+Na"	23.996494
"1474539"	252.152597	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H+Na"	23.996494
"1063411"	168.43749	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2H+Na"	25.00377
"1263995"	513.342186	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+CH3OH+H"	33.033486
"383662"	999.580558	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+K"	38.963158
"747937"	1479.889258	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+K"	38.963158
"1549988"	519.271858	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+K"	38.963158
"308258"	500.293917	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+H+K"	39.970434
"700680"	740.448267	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+H+K"	39.970434
"1457780"	260.139567	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H+K"	39.970434
"246381"	1002.651226	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+ACN+H"	42.033826
"1219089"	522.342526	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+ACN+H"	42.033826
"1204065"	261.674901	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+ACN+2H"	43.041102
"191470"	1005.58856	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+2Na-H"	44.97116
"629936"	1485.89726	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+2Na-H"	44.97116
"1131741"	525.27986	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2Na-H"	44.97116
"180021"	503.297918	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+2Na"	45.978436
"618488"	743.452268	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+2Na"	45.978436
"1120173"	263.143568	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2Na"	45.978436
"1401511"	175.764804	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H+2Na"	46.985712
"1439826"	527.321446	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H+HCOOH"	47.012746
"231710"	508.33094	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+3H2O+2H"	56.04448
"1511022"	541.37349	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+IsoProp+H"	61.06479
"409978"	511.284888	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+Na+K"	61.952376
"778267"	751.439238	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+Na+K"	61.952376
"1669132"	271.130538	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Na+K"	61.952376
"256745"	1024.633168	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+ACN+Na"	64.015768
"1232735"	544.324468	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+ACN+Na"	64.015768
"1725998"	544.347993	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+NH4+HCOOH"	64.039293
"1186977"	183.092118	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+3Na"	68.967654
"1654682"	549.303388	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Na+HCOOH"	68.994688
"164824"	1037.53644	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+2K-H"	76.91904
"607664"	1517.84514	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+2K-H"	76.91904
"1088897"	557.22774	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2K-H"	76.91904
"145714"	519.271858	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"2M+2K"	77.926316
"592927"	759.426208	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"3M+2K"	77.926316
"1077438"	279.117508	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2K"	77.926316
"1102992"	559.242292	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2K+H"	78.933592
"1339379"	559.329907	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+DMSO+H"	79.021207
"1010098"	563.369076	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2ACN+H"	83.060376
"1529321"	564.362708	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+IsoProp+Na+H"	84.054008
"991516"	282.188176	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+2ACN+2H"	84.067652
"1591369"	565.277328	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+K+HCOOH"	84.968628
"1427606"	595.308838	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+H+CF3COOH"	115.000138
"1156068"	302.701451	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+3ACN+2H"	125.094202
"1710727"	612.335385	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+NH4+CF3COOH"	132.026685
"1645647"	617.29078	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+Na+CF3COOH"	136.98208
"1575830"	633.26472	"C02633"	"20-Hydroxyecdysone;Crustecdysone;Ecdysterone"	"C27H44O7"	"480.3087"	"M+K+CF3COOH"	152.95602
"809476"	123.0087	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M"	0
"983008"	103.99031	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-H2O-H"	-19.01839
"67970"	80.998524	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M-3H"	-3.021828
"506436"	122.001424	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M-3H"	-3.021828
"881319"	39.995624	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-3H"	-3.021828
"2080"	122.001424	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H"	-2.014552
"444562"	183.505774	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H"	-2.014552
"820179"	60.497074	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H"	-2.014552
"79445"	245.010124	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M-H"	-1.007276
"520821"	368.018824	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M-H"	-1.007276
"895988"	122.001424	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-H"	-1.007276
"47774"	262.036671	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H+NH4"	16.019271
"487292"	385.045371	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H+NH4"	16.019271
"865621"	139.027971	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H+NH4"	16.019271
"31939"	266.992066	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H+Na"	20.974666
"471581"	390.000766	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H+Na"	20.974666
"849179"	143.983366	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H+Na"	20.974666
"1618956"	143.983366	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na-2H"	20.974666
"94437"	139.989763	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M-H+Cl"	33.962126
"534481"	201.494113	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M-H+Cl"	33.962126
"927303"	78.485413	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+Cl"	33.962126
"267316"	280.986802	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Cl"	34.969402
"660635"	403.995502	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+Cl"	34.969402
"1273404"	157.978102	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl"	34.969402
"17543"	282.966006	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H+K"	36.948606
"456615"	405.974706	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H+K"	36.948606
"833688"	159.957306	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H+K"	36.948606
"1558273"	159.957306	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+K-2H"	36.948606
"944333"	168.006894	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+HCOOH"	44.998194
"363278"	291.015601	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+HCOOH-H"	44.998201
"347158"	305.031251	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Hac-H"	59.013851
"1493196"	182.022551	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Hac-H"	59.013851
"962076"	189.988851	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+NaCOOH"	66.980151
"114268"	157.978102	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2Cl"	69.938804
"553824"	219.482452	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2Cl"	69.938804
"1025908"	96.473752	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2Cl"	69.938804
"1242206"	201.927585	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Br"	78.918885
"1309034"	203.983572	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl+HCOOH"	80.974872
"1327992"	225.965529	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl+NaCOOH"	102.956829
"920144"	235.994286	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+CF3COOH"	112.985586
"1295759"	271.970964	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl+CF3COOH"	148.962264
"1375014"	87.996024	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H-2H2O"	-35.012676
"1386313"	106.006	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H-H2O"	-17.0027
"286000"	247.024676	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H"	1.007276
"676596"	370.033376	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H"	1.007276
"1351850"	124.015976	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H"	1.007276
"126229"	124.015976	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2H"	2.014552
"566151"	185.520326	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2H"	2.014552
"1037538"	62.511626	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2H"	2.014552
"204870"	83.013076	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+3H"	3.021828
"645048"	124.015976	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+3H"	3.021828
"1163655"	42.010176	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+3H"	3.021828
"434358"	264.051223	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+NH4"	18.033823
"794265"	387.059923	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+NH4"	18.033823
"1694972"	141.042523	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+NH4"	18.033823
"344957"	132.5292495	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H+NH4"	19.041099
"737258"	194.0335995	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H+NH4"	19.041099
"1492567"	71.0248995	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+NH4"	19.041099
"404895"	269.006618	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Na"	22.989218
"769052"	392.015318	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+Na"	22.989218
"1618246"	145.997918	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na"	22.989218
"325120"	135.006947	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H+Na"	23.996494
"715353"	196.511297	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H+Na"	23.996494
"1473555"	73.502597	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+Na"	23.996494
"1061333"	49.33749	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2H+Na"	25.00377
"1263013"	156.042186	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+CH3OH+H"	33.033486
"383771"	284.980558	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+K"	38.963158
"748046"	407.989258	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+K"	38.963158
"1547909"	161.971858	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+K"	38.963158
"307272"	142.993917	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H+K"	39.970434
"698600"	204.498267	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H+K"	39.970434
"1452422"	81.489567	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+K"	39.970434
"238835"	288.051226	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+ACN+H"	42.033826
"1214826"	165.042526	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+ACN+H"	42.033826
"1200895"	83.024901	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+ACN+2H"	43.041102
"190487"	290.98856	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2Na-H"	44.97116
"630044"	413.99726	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2Na-H"	44.97116
"1132453"	167.97986	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2Na-H"	44.97116
"176848"	145.997918	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2Na"	45.978436
"620056"	207.502268	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2Na"	45.978436
"1121738"	84.493568	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2Na"	45.978436
"1402349"	56.664804	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+2Na"	46.985712
"1439936"	170.021446	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+HCOOH"	47.012746
"230726"	151.03094	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+3H2O+2H"	56.04448
"1512955"	184.07349	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+IsoProp+H"	61.06479
"409358"	153.984888	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Na+K"	61.952376
"776191"	215.489238	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+Na+K"	61.952376
"1670335"	92.480538	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na+K"	61.952376
"257948"	310.033168	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+ACN+Na"	64.015768
"1230658"	187.024468	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+ACN+Na"	64.015768
"1727201"	187.047993	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+NH4+HCOOH"	64.039293
"1187087"	63.992118	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+3Na"	68.967654
"1652606"	192.003388	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na+HCOOH"	68.994688
"166027"	322.93644	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2K-H"	76.91904
"605587"	445.94514	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2K-H"	76.91904
"1089006"	199.92774	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2K-H"	76.91904
"146552"	161.971858	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2K"	77.926316
"590850"	223.476208	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2K"	77.926316
"1076455"	100.467508	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2K"	77.926316
"1105289"	201.942292	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2K+H"	78.933592
"1339853"	202.029907	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+DMSO+H"	79.021207
"1008386"	206.069076	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2ACN+H"	83.060376
"1530525"	207.062708	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+IsoProp+Na+H"	84.054008
"993692"	103.538176	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+2ACN+2H"	84.067652
"1593666"	207.977328	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+K+HCOOH"	84.968628
"1426623"	238.008838	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+CF3COOH"	115.000138
"1156178"	124.051451	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+3ACN+2H"	125.094202
"1711566"	255.035385	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+NH4+CF3COOH"	132.026685
"1646850"	259.99078	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na+CF3COOH"	136.98208
"1573753"	275.96472	"C02634"	"3-Chloro-D-alanine"	"C3H6ClNO2"	"123.0087"	"M+K+CF3COOH"	152.95602
"801508"	123.0087	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M"	0
"979837"	103.99031	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-H2O-H"	-19.01839
"66986"	80.998524	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M-3H"	-3.021828
"506546"	122.001424	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M-3H"	-3.021828
"881064"	39.995624	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-3H"	-3.021828
"3284"	122.001424	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H"	-2.014552
"444672"	183.505774	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H"	-2.014552
"819921"	60.497074	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H"	-2.014552
"79429"	245.010124	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M-H"	-1.007276
"519594"	368.018824	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M-H"	-1.007276
"895657"	122.001424	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-H"	-1.007276
"47270"	262.036671	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H+NH4"	16.019271
"487316"	385.045371	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H+NH4"	16.019271
"864672"	139.027971	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H+NH4"	16.019271
"33139"	266.992066	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H+Na"	20.974666
"471524"	390.000766	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H+Na"	20.974666
"848718"	143.983366	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H+Na"	20.974666
"1618508"	143.983366	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na-2H"	20.974666
"94793"	139.989763	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M-H+Cl"	33.962126
"534292"	201.494113	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M-H+Cl"	33.962126
"927290"	78.485413	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+Cl"	33.962126
"267194"	280.986802	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Cl"	34.969402
"660023"	403.995502	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+Cl"	34.969402
"1273679"	157.978102	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl"	34.969402
"17653"	282.966006	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M-2H+K"	36.948606
"455732"	405.974706	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M-2H+K"	36.948606
"833108"	159.957306	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-2H+K"	36.948606
"1557654"	159.957306	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+K-2H"	36.948606
"943390"	168.006894	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+HCOOH"	44.998194
"362416"	291.015601	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+HCOOH-H"	44.998201
"345807"	305.031251	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Hac-H"	59.013851
"1492913"	182.022551	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Hac-H"	59.013851
"960363"	189.988851	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+NaCOOH"	66.980151
"114378"	157.978102	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2Cl"	69.938804
"552843"	219.482452	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2Cl"	69.938804
"1026018"	96.473752	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2Cl"	69.938804
"1241503"	201.927585	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Br"	78.918885
"1309144"	203.983572	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl+HCOOH"	80.974872
"1329195"	225.965529	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl+NaCOOH"	102.956829
"920254"	235.994286	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M-H+CF3COOH"	112.985586
"1295869"	271.970964	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Cl+CF3COOH"	148.962264
"1376947"	87.996024	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H-2H2O"	-35.012676
"1389339"	106.006	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H-H2O"	-17.0027
"287203"	247.024676	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H"	1.007276
"678165"	370.033376	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H"	1.007276
"1352688"	124.015976	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H"	1.007276
"126177"	124.015976	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2H"	2.014552
"566101"	185.520326	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2H"	2.014552
"1037571"	62.511626	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2H"	2.014552
"205109"	83.013076	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+3H"	3.021828
"645766"	124.015976	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+3H"	3.021828
"1163645"	42.010176	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+3H"	3.021828
"431188"	264.051223	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+NH4"	18.033823
"794376"	387.059923	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+NH4"	18.033823
"1695082"	141.042523	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+NH4"	18.033823
"344825"	132.5292495	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H+NH4"	19.041099
"737244"	194.0335995	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H+NH4"	19.041099
"1492407"	71.0248995	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+NH4"	19.041099
"405005"	269.006618	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Na"	22.989218
"769761"	392.015318	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+Na"	22.989218
"1618279"	145.997918	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na"	22.989218
"321948"	135.006947	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H+Na"	23.996494
"713276"	196.511297	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H+Na"	23.996494
"1470385"	73.502597	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+Na"	23.996494
"1062538"	49.33749	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2H+Na"	25.00377
"1263122"	156.042186	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+CH3OH+H"	33.033486
"378415"	284.980558	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+K"	38.963158
"741597"	407.989258	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+K"	38.963158
"1545833"	161.971858	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+K"	38.963158
"304103"	142.993917	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+H+K"	39.970434
"696525"	204.498267	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+H+K"	39.970434
"1449252"	81.489567	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+K"	39.970434
"240040"	288.051226	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+ACN+H"	42.033826
"1217123"	165.042526	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+ACN+H"	42.033826
"1197725"	83.024901	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+ACN+2H"	43.041102
"190595"	290.98856	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2Na-H"	44.97116
"629792"	413.99726	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2Na-H"	44.97116
"1134022"	167.97986	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2Na-H"	44.97116
"173103"	145.997918	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2Na"	45.978436
"617980"	207.502268	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2Na"	45.978436
"1118204"	84.493568	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2Na"	45.978436
"1402095"	56.664804	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+2Na"	46.985712
"1440046"	170.021446	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+HCOOH"	47.012746
"230836"	151.03094	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+3H2O+2H"	56.04448
"1512337"	184.07349	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+IsoProp+H"	61.06479
"411289"	153.984888	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+Na+K"	61.952376
"777395"	215.489238	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+Na+K"	61.952376
"1672634"	92.480538	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na+K"	61.952376
"259153"	310.033168	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+ACN+Na"	64.015768
"1231861"	187.024468	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+ACN+Na"	64.015768
"1726950"	187.047993	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+NH4+HCOOH"	64.039293
"1187197"	63.992118	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+3Na"	68.967654
"1657090"	192.003388	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na+HCOOH"	68.994688
"166137"	322.93644	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2K-H"	76.91904
"604604"	445.94514	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2K-H"	76.91904
"1088025"	199.92774	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2K-H"	76.91904
"145934"	161.971858	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"2M+2K"	77.926316
"592053"	223.476208	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"3M+2K"	77.926316
"1071097"	100.467508	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2K"	77.926316
"1102486"	201.942292	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2K+H"	78.933592
"1340691"	202.029907	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+DMSO+H"	79.021207
"1009223"	206.069076	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2ACN+H"	83.060376
"1530635"	207.062708	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+IsoProp+Na+H"	84.054008
"999273"	103.538176	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+2ACN+2H"	84.067652
"1592683"	207.977328	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+K+HCOOH"	84.968628
"1427097"	238.008838	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+H+CF3COOH"	115.000138
"1156288"	124.051451	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+3ACN+2H"	125.094202
"1711311"	255.035385	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+NH4+CF3COOH"	132.026685
"1646960"	259.99078	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+Na+CF3COOH"	136.98208
"1572764"	275.96472	"C02635"	"3-Chloro-L-alanine"	"C3H6ClNO2"	"123.0087"	"M+K+CF3COOH"	152.95602
"802769"	160.0974	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M"	0
"979947"	141.07901	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-H2O-H"	-19.01839
"69283"	105.724324	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M-3H"	-3.021828
"506656"	159.090124	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M-3H"	-3.021828
"881174"	52.358524	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-3H"	-3.021828
"3394"	159.090124	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M-2H"	-2.014552
"445875"	239.138824	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M-2H"	-2.014552
"821490"	79.041424	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-2H"	-2.014552
"82577"	319.187524	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M-H"	-1.007276
"519582"	479.284924	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M-H"	-1.007276
"896408"	159.090124	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-H"	-1.007276
"47992"	336.214071	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M-2H+NH4"	16.019271
"487916"	496.311471	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M-2H+NH4"	16.019271
"865348"	176.116671	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-2H+NH4"	16.019271
"32521"	341.169466	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M-2H+Na"	20.974666
"472687"	501.266866	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M-2H+Na"	20.974666
"849519"	181.072066	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-2H+Na"	20.974666
"1619415"	181.072066	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Na-2H"	20.974666
"94824"	177.078463	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M-H+Cl"	33.962126
"534617"	257.127163	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M-H+Cl"	33.962126
"927563"	97.029763	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-H+Cl"	33.962126
"267501"	355.164202	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+Cl"	34.969402
"660082"	515.261602	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+Cl"	34.969402
"1275086"	195.066802	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Cl"	34.969402
"16665"	357.143406	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M-2H+K"	36.948606
"456716"	517.240806	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M-2H+K"	36.948606
"837191"	197.046006	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-2H+K"	36.948606
"1559586"	197.046006	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+K-2H"	36.948606
"948563"	205.095594	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-H+HCOOH"	44.998194
"363498"	365.193001	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+HCOOH-H"	44.998201
"346163"	379.208651	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+Hac-H"	59.013851
"1493295"	219.111251	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Hac-H"	59.013851
"962296"	227.077551	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-H+NaCOOH"	66.980151
"110231"	195.066802	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+2Cl"	69.938804
"550278"	275.115502	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+2Cl"	69.938804
"1022236"	115.018102	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2Cl"	69.938804
"1241812"	239.016285	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Br"	78.918885
"1308522"	241.072272	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Cl+HCOOH"	80.974872
"1332222"	263.054229	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Cl+NaCOOH"	102.956829
"919270"	273.082986	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M-H+CF3COOH"	112.985586
"1294885"	309.059664	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Cl+CF3COOH"	148.962264
"1374140"	125.084724	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H-2H2O"	-35.012676
"1390543"	143.0947	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H-H2O"	-17.0027
"287313"	321.202076	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+H"	1.007276
"679370"	481.299476	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+H"	1.007276
"1353531"	161.104676	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H"	1.007276
"125727"	161.104676	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+2H"	2.014552
"565671"	241.153376	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+2H"	2.014552
"1037094"	81.055976	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2H"	2.014552
"204975"	107.738876	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+3H"	3.021828
"644820"	161.104676	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+3H"	3.021828
"1164364"	54.373076	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+3H"	3.021828
"432391"	338.228623	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+NH4"	18.033823
"794482"	498.326023	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+NH4"	18.033823
"1695192"	178.131223	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+NH4"	18.033823
"345388"	169.6179495	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+H+NH4"	19.041099
"738216"	249.6666495	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+H+NH4"	19.041099
"1492600"	89.5692495	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H+NH4"	19.041099
"408404"	343.184018	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+Na"	22.989218
"769643"	503.281418	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+Na"	22.989218
"1618067"	183.086618	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Na"	22.989218
"322058"	172.095647	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+H+Na"	23.996494
"716665"	252.144347	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+H+Na"	23.996494
"1473774"	92.046947	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H+Na"	23.996494
"1063741"	61.70039	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2H+Na"	25.00377
"1266512"	193.130886	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+CH3OH+H"	33.033486
"380711"	359.157958	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+K"	38.963158
"748267"	519.255358	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+K"	38.963158
"1544852"	199.060558	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+K"	38.963158
"304214"	180.082617	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+H+K"	39.970434
"696635"	260.131317	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+H+K"	39.970434
"1453736"	100.033917	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H+K"	39.970434
"241243"	362.228626	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+ACN+H"	42.033826
"1219420"	202.131226	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+ACN+H"	42.033826
"1200021"	101.569251	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+ACN+2H"	43.041102
"190708"	365.16596	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+2Na-H"	44.97116
"631361"	525.26336	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+2Na-H"	44.97116
"1132680"	205.06856	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2Na-H"	44.97116
"173583"	183.086618	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+2Na"	45.978436
"615171"	263.135318	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+2Na"	45.978436
"1118314"	103.037918	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2Na"	45.978436
"1402572"	69.027704	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H+2Na"	46.985712
"1441250"	207.110146	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H+HCOOH"	47.012746
"230946"	188.11964	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+3H2O+2H"	56.04448
"1514634"	221.16219	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+IsoProp+H"	61.06479
"412859"	191.073588	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+Na+K"	61.952376
"778598"	271.122288	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+Na+K"	61.952376
"1674930"	111.024888	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Na+K"	61.952376
"261449"	384.210568	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+ACN+Na"	64.015768
"1235251"	224.113168	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+ACN+Na"	64.015768
"1725233"	224.136693	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+NH4+HCOOH"	64.039293
"1190586"	76.355018	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+3Na"	68.967654
"1659386"	229.092088	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Na+HCOOH"	68.994688
"167340"	397.11384	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+2K-H"	76.91904
"606900"	557.21124	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+2K-H"	76.91904
"1094695"	237.01644	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2K-H"	76.91904
"147137"	199.060558	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"2M+2K"	77.926316
"596294"	279.109258	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"3M+2K"	77.926316
"1073394"	119.011858	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2K"	77.926316
"1103326"	239.030992	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2K+H"	78.933592
"1344082"	239.118607	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+DMSO+H"	79.021207
"1007149"	243.157776	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2ACN+H"	83.060376
"1528558"	244.151408	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+IsoProp+Na+H"	84.054008
"996104"	122.082526	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+2ACN+2H"	84.067652
"1590607"	245.066028	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+K+HCOOH"	84.968628
"1427207"	275.097538	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+H+CF3COOH"	115.000138
"1156398"	142.595801	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+3ACN+2H"	125.094202
"1710328"	292.124085	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+NH4+CF3COOH"	132.026685
"1647070"	297.07948	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+Na+CF3COOH"	136.98208
"1572146"	313.05342	"C02636"	"3-Dehydrocarnitine;3-Carboxy-NNN-trimethyl-2-oxo-1-propanaminium"	"C7H14NO3"	"160.0974"	"M+K+CF3COOH"	152.95602
"811995"	172.0372	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M"	0
"986619"	153.01881	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"68301"	113.684190666667	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"513328"	171.029924	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"890037"	56.3384573333333	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"10798"	171.029924	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"452546"	257.048524	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"827067"	85.011324	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"82688"	343.067124	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"518963"	515.104324	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"896157"	171.029924	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"50053"	360.093671	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"487543"	532.130871	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"865223"	188.056471	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"31787"	365.049066	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"471667"	537.086266	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"848701"	193.011866	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1618798"	193.011866	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"97650"	189.018263	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"537208"	275.036863	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"927924"	102.999663	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"267693"	379.043802	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"660477"	551.081002	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1273492"	207.006602	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"16411"	381.023006	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"456826"	553.060206	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"834142"	208.985806	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1558602"	208.985806	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"944663"	217.035394	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"362514"	389.072601	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"345799"	403.088251	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1493771"	231.051051	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"960217"	239.017351	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"112043"	207.006602	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"550630"	293.025202	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1022587"	120.988002	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1242287"	250.956085	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1307175"	253.012072	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1329415"	274.994029	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"920472"	285.022786	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1294994"	320.999464	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1371696"	137.024524	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1387735"	155.0345	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"288152"	345.081676	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"679480"	517.118876	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1352180"	173.044476	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"125867"	173.044476	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"565873"	259.063076	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1037180"	87.025876	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"204962"	115.698742666667	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"644436"	173.044476	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1163503"	58.3530093333333	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"425088"	362.108223	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"796778"	534.145423	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1694937"	190.071023	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"345659"	181.5577495	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"738330"	267.5763495	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1492643"	95.5391495	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"408450"	367.063618	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"769590"	539.100818	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1618218"	195.026418	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"329214"	184.035447	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"718961"	270.054047	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1474977"	98.016847	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1066765"	65.6803233333333	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1267716"	205.070686	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"385195"	383.037558	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"749470"	555.074758	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1544961"	211.000358	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"306510"	192.022417	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"697838"	278.041017	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1452752"	106.003817	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"241353"	386.108226	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1219530"	214.071026	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1197944"	107.539151	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"190087"	389.04556	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"630378"	561.08276	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1133152"	217.00836	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"173403"	195.026418	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"616374"	281.045018	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1119152"	109.007818	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1401951"	73.0076373333333	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1441360"	219.049946	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"229963"	200.05944	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1513651"	233.10199	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"413699"	203.013388	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"779801"	289.031988	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1671760"	116.994788	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"261559"	408.090168	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1236454"	236.052968	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1723153"	236.076493	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1187413"	80.3349513333333	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1658401"	241.031888	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"165264"	420.99344	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"602636"	593.03064	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1091525"	248.95624	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"147247"	211.000358	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"588992"	297.018958	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1072411"	124.981758	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1102342"	250.970792	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1340913"	251.058407	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1007381"	255.097576	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1527574"	256.091208	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"997307"	128.052426	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1597281"	257.005828	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1425860"	287.037338	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1158695"	148.565701	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1710074"	304.063885	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1646087"	309.01928	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1572990"	324.99322	"C02637"	"3-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"802989"	107.0383	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M"	0
"983449"	88.01991	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-H2O-H"	-19.01839
"69505"	70.3515906666667	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M-3H"	-3.021828
"510158"	106.031024	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M-3H"	-3.021828
"890147"	34.6721573333333	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-3H"	-3.021828
"10908"	106.031024	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M-2H"	-2.014552
"452656"	159.550174	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M-2H"	-2.014552
"827177"	52.511874	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-2H"	-2.014552
"81705"	213.069324	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M-H"	-1.007276
"519196"	320.107624	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M-H"	-1.007276
"896269"	106.031024	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-H"	-1.007276
"49070"	230.095871	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M-2H+NH4"	16.019271
"488141"	337.134171	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M-2H+NH4"	16.019271
"864725"	123.057571	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-2H+NH4"	16.019271
"31816"	235.051266	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M-2H+Na"	20.974666
"471568"	342.089566	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M-2H+Na"	20.974666
"848515"	128.012966	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-2H+Na"	20.974666
"1618565"	128.012966	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Na-2H"	20.974666
"97760"	124.019363	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M-H+Cl"	33.962126
"535132"	177.538513	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M-H+Cl"	33.962126
"928646"	70.500213	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-H+Cl"	33.962126
"267356"	249.046002	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+Cl"	34.969402
"660303"	356.084302	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+Cl"	34.969402
"1273111"	142.007702	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Cl"	34.969402
"17132"	251.025206	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M-2H+K"	36.948606
"459976"	358.063506	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M-2H+K"	36.948606
"836320"	143.986906	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-2H+K"	36.948606
"1557620"	143.986906	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+K-2H"	36.948606
"943679"	152.036494	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-H+HCOOH"	44.998194
"362989"	259.074801	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+HCOOH-H"	44.998201
"346870"	273.090451	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+Hac-H"	59.013851
"1493757"	166.052151	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Hac-H"	59.013851
"960690"	174.018451	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-H+NaCOOH"	66.980151
"111060"	142.007702	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+2Cl"	69.938804
"552079"	195.526852	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+2Cl"	69.938804
"1024526"	88.488552	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2Cl"	69.938804
"1242642"	185.957185	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Br"	78.918885
"1306920"	188.013172	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Cl+HCOOH"	80.974872
"1328431"	209.995129	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Cl+NaCOOH"	102.956829
"918396"	220.023886	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M-H+CF3COOH"	112.985586
"1295104"	256.000564	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Cl+CF3COOH"	148.962264
"1374359"	72.025624	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H-2H2O"	-35.012676
"1387481"	90.0356	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H-H2O"	-17.0027
"289356"	215.083876	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+H"	1.007276
"676186"	322.122176	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+H"	1.007276
"1351472"	108.045576	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H"	1.007276
"125817"	108.045576	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+2H"	2.014552
"566183"	161.564726	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+2H"	2.014552
"1038869"	54.526426	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2H"	2.014552
"205312"	72.3661426666667	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+3H"	3.021828
"644752"	108.045576	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+3H"	3.021828
"1164341"	36.6867093333333	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+3H"	3.021828
"425198"	232.110423	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+NH4"	18.033823
"785821"	339.148723	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+NH4"	18.033823
"1696865"	125.072123	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+NH4"	18.033823
"343328"	116.5588495	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+H+NH4"	19.041099
"736843"	170.0779995	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+H+NH4"	19.041099
"1492003"	63.0396995	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H+NH4"	19.041099
"408509"	237.065818	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+Na"	22.989218
"769917"	344.104118	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+Na"	22.989218
"1618437"	130.027518	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Na"	22.989218
"322278"	119.036547	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+H+Na"	23.996494
"719071"	172.555697	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+H+Na"	23.996494
"1475089"	65.517397	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H+Na"	23.996494
"1066875"	44.0140233333333	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2H+Na"	25.00377
"1270012"	140.071786	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+CH3OH+H"	33.033486
"384212"	253.039758	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+K"	38.963158
"744113"	360.078058	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+K"	38.963158
"1543979"	146.001458	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+K"	38.963158
"303340"	127.023517	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+H+K"	39.970434
"695762"	180.542667	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+H+K"	39.970434
"1449582"	73.504367	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H+K"	39.970434
"239277"	256.110426	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+ACN+H"	42.033826
"1218546"	149.072126	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+ACN+H"	42.033826
"1199149"	75.039701	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+ACN+2H"	43.041102
"191047"	259.04776	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+2Na-H"	44.97116
"631579"	366.08606	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+2Na-H"	44.97116
"1132532"	152.00946	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2Na-H"	44.97116
"172927"	130.027518	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+2Na"	45.978436
"614052"	183.546668	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+2Na"	45.978436
"1117438"	76.508368	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2Na"	45.978436
"1402424"	51.3413373333333	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H+2Na"	46.985712
"1439283"	154.051046	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H+HCOOH"	47.012746
"225699"	135.06054	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+3H2O+2H"	56.04448
"1511208"	168.10309	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+IsoProp+H"	61.06479
"412349"	138.014488	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+Na+K"	61.952376
"778818"	191.533638	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+Na+K"	61.952376
"1671870"	84.495338	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Na+K"	61.952376
"261669"	278.092368	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+ACN+Na"	64.015768
"1236564"	171.054068	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+ACN+Na"	64.015768
"1719983"	171.077593	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+NH4+HCOOH"	64.039293
"1187523"	58.6686513333333	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+3Na"	68.967654
"1656324"	176.032988	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Na+HCOOH"	68.994688
"162090"	290.99564	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+2K-H"	76.91904
"601653"	398.03394	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+2K-H"	76.91904
"1091999"	183.95734	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2K-H"	76.91904
"145169"	146.001458	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"2M+2K"	77.926316
"588009"	199.520608	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"3M+2K"	77.926316
"1071063"	92.482308	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2K"	77.926316
"1102452"	185.971892	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2K+H"	78.933592
"1339201"	186.059507	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+DMSO+H"	79.021207
"1007612"	190.098676	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2ACN+H"	83.060376
"1525861"	191.092308	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+IsoProp+Na+H"	84.054008
"991946"	95.552976	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+2ACN+2H"	84.067652
"1598484"	192.006928	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+K+HCOOH"	84.968628
"1427063"	222.038438	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+H+CF3COOH"	115.000138
"1158805"	116.066251	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+3ACN+2H"	125.094202
"1712006"	239.064985	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+NH4+CF3COOH"	132.026685
"1647290"	244.02038	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+Na+CF3COOH"	136.98208
"1576380"	259.99432	"C02638"	"3-Fluoro-D-alanine;(S)-3-Fluoroalanine"	"C3H6FNO2"	"107.0383"	"M+K+CF3COOH"	152.95602
"802371"	152.0473	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M"	0
"986839"	133.02891	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"69615"	100.357590666667	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"513548"	151.040024	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"890257"	49.6751573333333	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"11018"	151.040024	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"449487"	227.063674	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"827287"	75.016374	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"88377"	303.087324	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"519795"	455.134624	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"899178"	151.040024	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"48814"	320.113871	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"488129"	472.161171	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"864837"	168.066571	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"31427"	325.069266	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"471418"	477.116566	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"848503"	173.021966	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1618463"	173.021966	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"97142"	169.028363	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"534628"	245.052013	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"928391"	93.004713	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"267252"	339.064002	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"660129"	491.111302	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1272935"	187.016702	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"15778"	341.043206	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"458993"	493.090506	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"834607"	188.995906	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1559917"	188.995906	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"944884"	197.045494	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"362086"	349.092801	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"346979"	363.108451	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1493264"	211.061151	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"961166"	219.027451	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"114088"	187.016702	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"552554"	263.040352	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1022449"	110.993052	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1241656"	230.966185	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1308488"	233.022172	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1328541"	255.004129	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"920692"	265.032886	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1295214"	301.009564	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1374469"	117.034624	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1387591"	135.0446	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"290559"	305.101876	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"678608"	457.149176	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1352273"	153.054576	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"126742"	153.054576	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"565930"	229.078226	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1037523"	77.030926	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"204575"	102.372142666667	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"645106"	153.054576	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1165424"	51.6897093333333	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"425308"	322.128423	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"786095"	474.175723	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1696586"	170.081123	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"343074"	161.5678495	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"736953"	237.5914995	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1490772"	85.5441995	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"407277"	327.083818	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"769244"	479.131118	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1618186"	175.036518	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"329195"	164.045547	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"721006"	240.069197	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1474473"	88.021897	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1065165"	59.0170233333333	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1271216"	185.080786	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"384322"	343.057758	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"743130"	495.105058	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1544088"	191.010458	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"304543"	172.032517	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"699154"	248.056167	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1451879"	96.008867	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"243762"	346.128426	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1214282"	194.081126	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1199259"	97.544201	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"196502"	349.06576	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"629623"	501.11306	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1131355"	197.01846	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"172869"	175.036518	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"616594"	251.060168	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1119372"	99.012868	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1402170"	66.3443373333333	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1438300"	199.060046	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"224717"	180.06954	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1513871"	213.11209	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"415742"	183.023488	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"775648"	259.047138	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1671980"	106.999838	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"260686"	368.110368	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1234487"	216.063068	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1717904"	216.086593	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1182165"	73.6716513333333	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1656432"	221.041988	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"161107"	381.01364	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"601763"	533.06094	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1092838"	228.96634	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"150748"	191.010458	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"594680"	267.034108	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1077006"	114.986808	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1103655"	230.980892	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1343321"	231.068507	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1005791"	235.107676	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1529983"	236.101308	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"992056"	118.057476	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1593126"	237.015928	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1428629"	267.047438	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1156728"	138.570751	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1709564"	284.073985	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1647036"	289.02938	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1576490"	305.00332	"C02639"	"3-Methoxytropolone"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"804668"	87.1048	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M"	0
"983669"	68.08641	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-H2O-H"	-19.01839
"73005"	57.0625906666667	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M-3H"	-3.021828
"513658"	86.097524	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M-3H"	-3.021828
"891460"	28.0276573333333	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-3H"	-3.021828
"7848"	86.097524	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M-2H"	-2.014552
"452515"	129.649924	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M-2H"	-2.014552
"826304"	42.545124	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-2H"	-2.014552
"88488"	173.202324	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M-H"	-1.007276
"523673"	260.307124	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M-H"	-1.007276
"901476"	86.097524	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-H"	-1.007276
"49288"	190.228871	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M-2H+NH4"	16.019271
"488483"	277.333671	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M-2H+NH4"	16.019271
"865921"	103.124071	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-2H+NH4"	16.019271
"31574"	195.184266	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M-2H+Na"	20.974666
"471958"	282.289066	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M-2H+Na"	20.974666
"848832"	108.079466	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-2H+Na"	20.974666
"1618519"	108.079466	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Na-2H"	20.974666
"100168"	104.085863	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M-H+Cl"	33.962126
"534664"	147.638263	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M-H+Cl"	33.962126
"929597"	60.533463	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-H+Cl"	33.962126
"267132"	209.179002	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+Cl"	34.969402
"660354"	296.283802	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+Cl"	34.969402
"1272961"	122.074202	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Cl"	34.969402
"15761"	211.158206	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M-2H+K"	36.948606
"457645"	298.263006	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M-2H+K"	36.948606
"834717"	124.053406	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-2H+K"	36.948606
"1560028"	124.053406	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+K-2H"	36.948606
"945724"	132.102994	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-H+HCOOH"	44.998194
"365399"	219.207801	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+HCOOH-H"	44.998201
"350009"	233.223451	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+Hac-H"	59.013851
"1497385"	146.118651	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Hac-H"	59.013851
"962010"	154.084951	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-H+NaCOOH"	66.980151
"113468"	122.074202	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+2Cl"	69.938804
"551934"	165.626602	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+2Cl"	69.938804
"1024381"	78.521802	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2Cl"	69.938804
"1241888"	166.023685	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Br"	78.918885
"1310057"	168.079672	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Cl+HCOOH"	80.974872
"1323543"	190.061629	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Cl+NaCOOH"	102.956829
"917521"	200.090386	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M-H+CF3COOH"	112.985586
"1295323"	236.067064	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Cl+CF3COOH"	148.962264
"1374579"	52.092124	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H-2H2O"	-35.012676
"1394262"	70.1021	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H-H2O"	-17.0027
"288483"	175.216876	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+H"	1.007276
"681997"	262.321676	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+H"	1.007276
"1352391"	88.112076	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H"	1.007276
"126120"	88.112076	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+2H"	2.014552
"565840"	131.664476	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+2H"	2.014552
"1037516"	44.559676	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2H"	2.014552
"204349"	59.0771426666667	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+3H"	3.021828
"645588"	88.112076	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+3H"	3.021828
"1162831"	30.0422093333333	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+3H"	3.021828
"424930"	192.243423	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+NH4"	18.033823
"796014"	279.348223	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+NH4"	18.033823
"1696456"	105.138623	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+NH4"	18.033823
"345224"	96.6253495	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+H+NH4"	19.041099
"738166"	140.1777495	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+H+NH4"	19.041099
"1491989"	53.0729495	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H+NH4"	19.041099
"407628"	197.198818	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+Na"	22.989218
"768867"	284.303618	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+Na"	22.989218
"1617326"	110.094018	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Na"	22.989218
"329062"	99.103047	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+H+Na"	23.996494
"721853"	142.655447	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+H+Na"	23.996494
"1473125"	55.550647	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H+Na"	23.996494
"1065274"	37.3695233333333	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2H+Na"	25.00377
"1268046"	120.138286	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+CH3OH+H"	33.033486
"379328"	213.172758	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+K"	38.963158
"743238"	300.277558	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+K"	38.963158
"1544198"	126.067958	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+K"	38.963158
"303561"	107.090017	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+H+K"	39.970434
"701450"	150.642417	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+H+K"	39.970434
"1451990"	63.537617	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H+K"	39.970434
"239498"	216.243426	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+ACN+H"	42.033826
"1216581"	129.138626	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+ACN+H"	42.033826
"1205566"	65.072951	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+ACN+2H"	43.041102
"197706"	219.18076	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+2Na-H"	44.97116
"635079"	306.28556	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+2Na-H"	44.97116
"1134213"	132.07596	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2Na-H"	44.97116
"173736"	110.094018	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+2Na"	45.978436
"616704"	153.646418	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+2Na"	45.978436
"1119482"	66.541618	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2Na"	45.978436
"1402644"	44.6968373333333	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H+2Na"	46.985712
"1438410"	134.117546	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H+HCOOH"	47.012746
"223734"	115.12704	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+3H2O+2H"	56.04448
"1511795"	148.16959	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+IsoProp+H"	61.06479
"412572"	118.080988	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+Na+K"	61.952376
"773934"	161.633388	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+Na+K"	61.952376
"1668443"	74.528588	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Na+K"	61.952376
"252774"	238.225368	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+ACN+Na"	64.015768
"1230221"	151.120568	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+ACN+Na"	64.015768
"1719108"	151.144093	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+NH4+HCOOH"	64.039293
"1183368"	52.0241513333333	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+3Na"	68.967654
"1655447"	156.099488	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Na+HCOOH"	68.994688
"157936"	251.12864	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+2K-H"	76.91904
"598957"	338.23344	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+2K-H"	76.91904
"1087115"	164.02384	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2K-H"	76.91904
"144660"	126.067958	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"2M+2K"	77.926316
"587135"	169.620358	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"3M+2K"	77.926316
"1070554"	82.515558	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2K"	77.926316
"1103768"	166.038392	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2K+H"	78.933592
"1339057"	166.126007	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+DMSO+H"	79.021207
"1005880"	170.165176	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2ACN+H"	83.060376
"1530093"	171.158808	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+IsoProp+Na+H"	84.054008
"992165"	85.586226	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+2ACN+2H"	84.067652
"1589953"	172.073428	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+K+HCOOH"	84.968628
"1428739"	202.104938	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+H+CF3COOH"	115.000138
"1156838"	106.099501	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+3ACN+2H"	125.094202
"1709674"	219.131485	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+NH4+CF3COOH"	132.026685
"1647146"	224.08688	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+Na+CF3COOH"	136.98208
"1576600"	240.06082	"C02640"	"3-Methylbutanamine;Isoamylamine;Isopentylamine"	"C5H13N"	"87.1048"	"M+K+CF3COOH"	152.95602
"815716"	132.0535	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M"	0
"983779"	113.03511	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"77493"	87.0283906666667	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"512678"	131.046224	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"889386"	43.0105573333333	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"12334"	131.046224	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"449709"	197.072974	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"829698"	65.019474	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"80575"	263.099724	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"521231"	395.153224	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"896839"	131.046224	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"49400"	280.126271	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"490054"	412.179771	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"868948"	148.072771	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"37941"	285.081666	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"472637"	417.135166	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"849230"	153.028166	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1618878"	153.028166	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"95538"	149.034563	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"534854"	215.061313	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"931166"	83.007813	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"270816"	299.076402	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"665425"	431.129902	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1278922"	167.022902	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"19655"	301.055606	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"458486"	433.109106	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"837017"	169.002106	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1561232"	169.002106	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"948022"	177.051694	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"364415"	309.105201	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"348297"	323.120851	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1494942"	191.067351	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"960295"	199.033651	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"112850"	167.022902	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"550707"	233.049652	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1026679"	100.996152	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1251729"	210.972385	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1309441"	213.028372	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1326574"	235.010329	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"919822"	245.039086	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1295435"	281.015764	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1374691"	97.040824	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1394374"	115.0508	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"295152"	265.114276	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"682108"	397.167776	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1356268"	133.060776	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"125908"	133.060776	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"565833"	199.087526	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1037340"	67.034026	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"204798"	89.0429426666667	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"644606"	133.060776	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1164187"	45.0251093333333	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"424708"	282.140823	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"786276"	414.194323	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1696843"	150.087323	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"345091"	141.5740495	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"738147"	207.6007995	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1492179"	75.5472995	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"407125"	287.096218	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"769337"	419.149718	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1614761"	155.042718	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"325891"	144.051747	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"719403"	210.078497	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1474695"	78.024997	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1065754"	52.3524233333333	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1265971"	165.086986	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"387825"	303.070158	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"745539"	435.123658	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1546497"	171.016658	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"304768"	152.038717	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"700470"	218.065467	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1456476"	86.011967	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"241797"	306.140826	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1221065"	174.087326	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1204947"	87.547301	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"191260"	309.07816	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"631910"	441.13166	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1132016"	177.02466	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"173966"	155.042718	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"615721"	221.069468	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1115753"	89.015968	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1403119"	59.6797373333333	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1438522"	179.066246	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"226030"	160.07574	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1518467"	193.11829	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"409767"	163.029688	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"780245"	229.056438	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1673296"	97.002938	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"258355"	328.122768	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1228512"	196.069268	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1717032"	196.092793	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1186760"	67.0070513333333	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1653373"	201.048188	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"167891"	341.02604	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"598702"	473.07954	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1086861"	208.97254	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"144772"	171.016658	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"588342"	237.043408	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1073949"	104.989908	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1100352"	210.987092	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1338441"	211.074707	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1009891"	215.113876	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1536766"	216.107508	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"995558"	108.060576	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1593342"	217.022128	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1429214"	247.053638	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1156948"	128.573851	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1709784"	264.080185	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1647256"	269.03558	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1576710"	285.00952	"C02642"	"3-Ureidopropionate;3-Ureidopropanoate;beta-Ureidopropionic acid;N-Carbamoyl-beta-alanine"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"804888"	318.2195	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M"	0
"983889"	299.20111	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"69945"	211.139057333333	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"506225"	317.212224	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"886214"	105.065890666667	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"5881"	317.212224	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"447631"	476.321974	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"824339"	158.102474	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"88707"	635.431724	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"527172"	953.651224	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"899507"	317.212224	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"49630"	652.458271	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"491254"	970.677771	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"864797"	334.238771	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"32826"	657.413666	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"472134"	975.633166	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"849366"	339.194166	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1618983"	339.194166	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"94915"	335.200563	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"535938"	494.310313	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"928117"	176.090813	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"268740"	671.408402	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"664441"	989.627902	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1281219"	353.188902	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"22681"	673.387606	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"463335"	991.607106	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"841137"	355.168106	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1561343"	355.168106	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"950319"	363.217694	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"365253"	681.437201	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"348407"	695.452851	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1495048"	377.233351	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"961857"	385.199651	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"113324"	353.188902	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"551060"	512.298652	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1025330"	194.079152	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1251110"	397.138385	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1306998"	399.194372	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1324497"	421.176329	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"919932"	431.205086	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1295545"	467.181764	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1372614"	283.206824	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1391204"	301.2168	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"288703"	637.446276	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"676752"	955.665776	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1354920"	319.226776	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"126259"	319.226776	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"565937"	478.336526	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1037289"	160.117026	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"204421"	213.153609333333	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"645322"	319.226776	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1163689"	107.080442666667	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"424574"	654.472823	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"786871"	972.692323	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1696953"	336.253323	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"343767"	327.7400495	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"736916"	486.8497995	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1489276"	168.6302995	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"407963"	659.428218	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"769684"	977.647718	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1614871"	341.208718	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"324907"	330.217747	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"718421"	489.327497	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1475533"	171.107997	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1064406"	114.407756666667	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1269727"	351.252986	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"387934"	675.402158	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"744557"	993.621658	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1544422"	357.182658	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"307065"	338.204717	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"703859"	497.314467	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1457681"	179.094967	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"246281"	678.472826	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1222998"	360.253326	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1205057"	180.630301	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"192463"	681.41016	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"633113"	999.62966	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1133222"	363.19066	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"174567"	341.208718	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"615465"	500.318468	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1116662"	182.098968	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1402135"	121.735070666667	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1441912"	365.232246	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"229421"	346.24174	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1519671"	379.28429	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"414253"	349.195688	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"779262"	508.305438	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1674499"	190.085938	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"256278"	700.454768	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1231902"	382.235268	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1720423"	382.258793	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1181403"	129.062384666667	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1656763"	387.214188	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"169094"	713.35804	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"602092"	1031.57754	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1089523"	395.13854	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"147798"	357.182658	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"590639"	516.292408	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1077339"	198.072908	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1103988"	397.153092	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1336241"	397.240707	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1011094"	401.279876	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1535783"	402.273508	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"996762"	201.143576	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1594546"	403.188128	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1428836"	433.219638	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1159245"	221.656851	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1709893"	450.246185	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1645543"	455.20158	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1576820"	471.17552	"C02645"	"45-Leukotriene A4"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"803905"	150.0681	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M"	0
"987279"	131.04971	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"73335"	99.038124	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"512895"	149.060824	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"888511"	49.015424	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"4898"	149.060824	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"449928"	224.094874	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"824449"	74.026774	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"87723"	299.128924	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"525096"	449.197024	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"899617"	149.060824	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"48156"	316.155471	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"488448"	466.223571	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"865276"	166.087371	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"31673"	321.110866	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"472003"	471.178966	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"848992"	171.042766	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1618855"	171.042766	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"95390"	167.049163	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"537872"	242.083213	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"928470"	92.015113	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"269943"	335.105602	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"663456"	485.173702	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1275861"	185.037502	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"21698"	337.084806	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"464539"	487.152906	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"842341"	187.016706	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1564734"	187.016706	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"950429"	195.066294	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"363902"	345.134401	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"347423"	359.150051	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1493699"	209.081951	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"961239"	217.048251	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"111975"	185.037502	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"550805"	260.071552	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1023252"	110.003452	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1246846"	228.986985	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1305649"	231.042972	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1322422"	253.024929	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"921135"	263.053686	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1295656"	299.030364	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1370537"	115.055424	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1388034"	133.0654	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"288812"	301.143476	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"678315"	451.211576	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1354299"	151.075376	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"125846"	151.075376	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"566007"	226.109426	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1037362"	76.041326	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"204276"	101.052676	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"644940"	151.075376	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1163068"	51.029976	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"424566"	318.170023	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"785929"	468.238123	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1696657"	168.101923	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"344931"	159.5886495	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"737029"	234.6226995	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1489386"	84.5545995	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"407707"	323.125418	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"769675"	473.193518	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1617167"	173.057318	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"326111"	162.066347	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"719625"	237.100397	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1476003"	87.032297	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1064516"	58.35729	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1270204"	183.101586	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"389137"	339.099358	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"746854"	489.167458	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1545625"	189.031258	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"307175"	170.053317	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"704698"	245.087367	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1457060"	95.019267	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"247119"	342.170026	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1220921"	192.101926	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1202980"	96.554601	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"193665"	345.10736	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"633223"	495.17546	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1132601"	195.03926	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"174554"	173.057318	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"616304"	248.091368	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1117015"	98.023268	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1399936"	65.684604	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1442022"	197.080846	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"226250"	178.09034	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1519781"	211.13289	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"413999"	181.044288	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"782652"	256.078338	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1673516"	106.010238	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"256388"	364.151968	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1230919"	214.083868	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1719439"	214.107393	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1181513"	73.011918	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1651647"	219.062788	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"165924"	377.05524	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"599043"	527.12334	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1087445"	226.98714	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"147908"	189.031258	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"582607"	264.065308	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1073074"	113.997208	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1101909"	229.001692	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1336221"	229.089307	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1011204"	233.128476	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1535893"	234.122108	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"995778"	117.067876	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1594657"	235.036728	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1424691"	265.068238	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1162150"	137.581151	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1710003"	282.094785	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1645653"	287.05018	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1576930"	303.02412	"C02646"	"4-Coumaryl alcohol;4-Hydroxycinnamyl alcohol;p-Coumaryl alcohol"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"810576"	129.0902	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M"	0
"980829"	110.07181	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-H2O-H"	-19.01839
"65791"	85.0528573333333	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M-3H"	-3.021828
"504256"	128.082924	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M-3H"	-3.021828
"883154"	42.0227906666667	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-3H"	-3.021828
"2821"	128.082924	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M-2H"	-2.014552
"445664"	192.628024	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M-2H"	-2.014552
"819820"	63.537824	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-2H"	-2.014552
"84553"	257.173124	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M-H"	-1.007276
"527392"	386.263324	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M-H"	-1.007276
"899361"	128.082924	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-H"	-1.007276
"47153"	274.199671	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M-2H+NH4"	16.019271
"487829"	403.289871	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M-2H+NH4"	16.019271
"865995"	145.109471	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-2H+NH4"	16.019271
"31704"	279.155066	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M-2H+Na"	20.974666
"471583"	408.245266	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M-2H+Na"	20.974666
"848899"	150.064866	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-2H+Na"	20.974666
"1618538"	150.064866	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Na-2H"	20.974666
"95622"	146.071263	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M-H+Cl"	33.962126
"537982"	210.616363	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M-H+Cl"	33.962126
"928580"	81.526163	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-H+Cl"	33.962126
"270417"	293.149802	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+Cl"	34.969402
"663202"	422.240002	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+Cl"	34.969402
"1277062"	164.059602	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Cl"	34.969402
"21808"	295.129006	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M-2H+K"	36.948606
"463556"	424.219206	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M-2H+K"	36.948606
"840265"	166.038806	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-2H+K"	36.948606
"1562658"	166.038806	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+K-2H"	36.948606
"949446"	174.088394	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-H+HCOOH"	44.998194
"362555"	303.178601	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+HCOOH-H"	44.998201
"347168"	317.194251	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+Hac-H"	59.013851
"1493079"	188.104051	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Hac-H"	59.013851
"959528"	196.070351	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-H+NaCOOH"	66.980151
"112085"	164.059602	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+2Cl"	69.938804
"550551"	228.604702	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+2Cl"	69.938804
"1023362"	99.514502	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2Cl"	69.938804
"1245863"	208.009085	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Br"	78.918885
"1305396"	210.065072	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Cl+HCOOH"	80.974872
"1322532"	232.047029	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Cl+NaCOOH"	102.956829
"921245"	242.075786	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M-H+CF3COOH"	112.985586
"1295766"	278.052464	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Cl+CF3COOH"	148.962264
"1370647"	94.077524	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H-2H2O"	-35.012676
"1388144"	112.0875	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H-H2O"	-17.0027
"290015"	259.187676	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+H"	1.007276
"677331"	388.277876	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+H"	1.007276
"1353317"	130.097476	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H"	1.007276
"125810"	130.097476	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+2H"	2.014552
"565994"	194.642576	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+2H"	2.014552
"1037144"	65.552376	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2H"	2.014552
"204759"	87.0674093333333	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+3H"	3.021828
"645661"	130.097476	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+3H"	3.021828
"1163787"	44.0373426666667	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+3H"	3.021828
"425600"	276.214223	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+NH4"	18.033823
"786110"	405.304423	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+NH4"	18.033823
"1693519"	147.124023	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+NH4"	18.033823
"345640"	138.6107495	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+H+NH4"	19.041099
"734580"	203.1558495	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+H+NH4"	19.041099
"1489496"	74.0656495	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H+NH4"	19.041099
"405995"	281.169618	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+Na"	22.989218
"769054"	410.259818	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+Na"	22.989218
"1615091"	152.079418	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Na"	22.989218
"325128"	141.088447	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+H+Na"	23.996494
"718641"	205.633547	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+H+Na"	23.996494
"1476437"	76.543347	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H+Na"	23.996494
"1066447"	51.3646566666667	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2H+Na"	25.00377
"1267762"	162.123686	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+CH3OH+H"	33.033486
"389247"	297.143558	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+K"	38.963158
"746964"	426.233758	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+K"	38.963158
"1545735"	168.053358	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+K"	38.963158
"304005"	149.075417	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+H+K"	39.970434
"702985"	213.620517	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+H+K"	39.970434
"1458992"	84.530317	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H+K"	39.970434
"247593"	300.214226	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+ACN+H"	42.033826
"1219208"	171.124026	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+ACN+H"	42.033826
"1203819"	86.065651	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+ACN+2H"	43.041102
"193775"	303.15156	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+2Na-H"	44.97116
"631875"	432.24176	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+2Na-H"	44.97116
"1135382"	174.06136	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2Na-H"	44.97116
"173936"	152.079418	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+2Na"	45.978436
"614956"	216.624518	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+2Na"	45.978436
"1117853"	87.534318	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2Na"	45.978436
"1400533"	58.6919706666667	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H+2Na"	46.985712
"1434839"	176.102946	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H+HCOOH"	47.012746
"226360"	157.11244	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+3H2O+2H"	56.04448
"1520984"	190.15499	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+IsoProp+H"	61.06479
"419577"	160.066388	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+Na+K"	61.952376
"781666"	224.611488	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+Na+K"	61.952376
"1676905"	95.521288	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Na+K"	61.952376
"262331"	322.196168	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+ACN+Na"	64.015768
"1235043"	193.105968	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+ACN+Na"	64.015768
"1723926"	193.129493	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+NH4+HCOOH"	64.039293
"1188185"	66.0192846666667	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+3Na"	68.967654
"1656983"	198.084888	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Na+HCOOH"	68.994688
"168220"	335.09944	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+2K-H"	76.91904
"599032"	464.18964	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+2K-H"	76.91904
"1087555"	206.00924	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2K-H"	76.91904
"142910"	168.053358	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"2M+2K"	77.926316
"583204"	232.598458	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"3M+2K"	77.926316
"1070021"	103.508258	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2K"	77.926316
"1101289"	208.023792	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2K+H"	78.933592
"1336089"	208.111407	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+DMSO+H"	79.021207
"1010221"	212.150576	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2ACN+H"	83.060376
"1536003"	213.144208	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+IsoProp+Na+H"	84.054008
"994795"	106.578926	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+2ACN+2H"	84.067652
"1598049"	214.058828	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+K+HCOOH"	84.968628
"1423709"	244.090338	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+H+CF3COOH"	115.000138
"1161652"	127.092201	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+3ACN+2H"	125.094202
"1710114"	261.116885	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+NH4+CF3COOH"	132.026685
"1645763"	266.07228	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+Na+CF3COOH"	136.98208
"1577040"	282.04622	"C02647"	"4-Guanidinobutanal"	"C5H11N3O"	"129.0902"	"M+K+CF3COOH"	152.95602
"801382"	84.0211	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M"	0
"980939"	65.00271	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-H2O-H"	-19.01839
"65901"	55.0067906666667	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M-3H"	-3.021828
"503638"	83.013824	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M-3H"	-3.021828
"883264"	26.9997573333333	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-3H"	-3.021828
"1838"	83.013824	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M-2H"	-2.014552
"440671"	125.024374	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M-2H"	-2.014552
"817295"	41.003274	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-2H"	-2.014552
"83569"	167.034924	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M-H"	-1.007276
"526408"	251.056024	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M-H"	-1.007276
"899836"	83.013824	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-H"	-1.007276
"47524"	184.061471	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M-2H+NH4"	16.019271
"489395"	268.082571	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M-2H+NH4"	16.019271
"865376"	100.040371	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-2H+NH4"	16.019271
"31555"	189.016866	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M-2H+Na"	20.974666
"471527"	273.037966	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M-2H+Na"	20.974666
"848852"	104.995766	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-2H+Na"	20.974666
"1618528"	104.995766	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Na-2H"	20.974666
"94553"	101.002163	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M-H+Cl"	33.962126
"534812"	143.012713	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M-H+Cl"	33.962126
"928326"	58.991613	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-H+Cl"	33.962126
"267401"	203.011602	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+Cl"	34.969402
"661124"	287.032702	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+Cl"	34.969402
"1275713"	118.990502	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Cl"	34.969402
"16444"	204.990806	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M-2H+K"	36.948606
"460386"	289.011906	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M-2H+K"	36.948606
"837094"	120.969706	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-2H+K"	36.948606
"1558393"	120.969706	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+K-2H"	36.948606
"946272"	129.019294	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-H+HCOOH"	44.998194
"361730"	213.040401	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+HCOOH-H"	44.998201
"346545"	227.056051	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+Hac-H"	59.013851
"1493105"	143.034951	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Hac-H"	59.013851
"958699"	151.001251	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-H+NaCOOH"	66.980151
"110366"	118.990502	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+2Cl"	69.938804
"550414"	161.001052	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+2Cl"	69.938804
"1021405"	76.979952	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2Cl"	69.938804
"1242443"	162.939985	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Br"	78.918885
"1305141"	164.995972	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Cl+HCOOH"	80.974872
"1322642"	186.977929	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Cl+NaCOOH"	102.956829
"921355"	197.006686	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M-H+CF3COOH"	112.985586
"1295876"	232.983364	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Cl+CF3COOH"	148.962264
"1372943"	49.008424	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H-2H2O"	-35.012676
"1388254"	67.0184	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H-H2O"	-17.0027
"290125"	169.049476	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+H"	1.007276
"677077"	253.070576	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+H"	1.007276
"1354155"	85.028376	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H"	1.007276
"125780"	85.028376	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+2H"	2.014552
"566106"	127.038926	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+2H"	2.014552
"1037417"	43.017826	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2H"	2.014552
"204990"	57.0213426666667	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+3H"	3.021828
"645770"	85.028376	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+3H"	3.021828
"1164261"	29.0143093333333	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+3H"	3.021828
"426075"	186.076023	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+NH4"	18.033823
"786708"	270.097123	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+NH4"	18.033823
"1683051"	102.054923	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+NH4"	18.033823
"345314"	93.5416495	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+H+NH4"	19.041099
"734690"	135.5521995	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+H+NH4"	19.041099
"1489242"	51.5310995	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H+NH4"	19.041099
"406104"	191.031418	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+Na"	22.989218
"767096"	275.052518	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+Na"	22.989218
"1615197"	107.010318	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Na"	22.989218
"325234"	96.019347	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+H+Na"	23.996494
"716561"	138.029897	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+H+Na"	23.996494
"1475131"	54.008797	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H+Na"	23.996494
"1066191"	36.3416233333333	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2H+Na"	25.00377
"1269325"	117.054586	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+CH3OH+H"	33.033486
"386077"	207.005358	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+K"	38.963158
"743794"	291.026458	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+K"	38.963158
"1544023"	122.984258	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+K"	38.963158
"303020"	104.006317	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+H+K"	39.970434
"693617"	146.016867	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+H+K"	39.970434
"1453633"	61.995767	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H+K"	39.970434
"244422"	210.076026	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+ACN+H"	42.033826
"1211783"	126.054926	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+ACN+H"	42.033826
"1197731"	63.531101	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+ACN+2H"	43.041102
"190969"	213.01336	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+2Na-H"	44.97116
"628781"	297.03446	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+2Na-H"	44.97116
"1131514"	128.99226	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2Na-H"	44.97116
"173138"	107.010318	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+2Na"	45.978436
"613115"	149.020868	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+2Na"	45.978436
"1117113"	64.999768	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2Na"	45.978436
"1399915"	43.6689373333333	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H+2Na"	46.985712
"1433125"	131.033846	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H+HCOOH"	47.012746
"226470"	112.04334	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+3H2O+2H"	56.04448
"1512710"	145.08589	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+IsoProp+H"	61.06479
"410937"	114.997288	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+Na+K"	61.952376
"781776"	157.007838	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+Na+K"	61.952376
"1674829"	72.986738	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Na+K"	61.952376
"258069"	232.057968	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+ACN+Na"	64.015768
"1234060"	148.036868	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+ACN+Na"	64.015768
"1719664"	148.060393	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+NH4+HCOOH"	64.039293
"1185015"	50.9962513333333	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+3Na"	68.967654
"1653813"	153.015788	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Na+HCOOH"	68.994688
"167237"	244.96124	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+2K-H"	76.91904
"599870"	328.98234	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+2K-H"	76.91904
"1087301"	160.94014	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2K-H"	76.91904
"142048"	122.984258	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"2M+2K"	77.926316
"582463"	164.994808	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"3M+2K"	77.926316
"1068792"	80.973708	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2K"	77.926316
"1100085"	162.954692	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2K+H"	78.933592
"1335684"	163.042307	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+DMSO+H"	79.021207
"1010331"	167.081476	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2ACN+H"	83.060376
"1536113"	168.075108	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+IsoProp+Na+H"	84.054008
"994905"	84.044376	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+2ACN+2H"	84.067652
"1598159"	168.989728	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+K+HCOOH"	84.968628
"1423819"	199.021238	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+H+CF3COOH"	115.000138
"1161641"	104.557651	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+3ACN+2H"	125.094202
"1710224"	216.047785	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+NH4+CF3COOH"	132.026685
"1645873"	221.00318	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+Na+CF3COOH"	136.98208
"1577150"	236.97712	"C02648"	"4-Hydroxy-2-butynal;4-Hydroxybut-2-ynal"	"C4H4O2"	"84.0211"	"M+K+CF3COOH"	152.95602
"802168"	172.0372	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M"	0
"981049"	153.01881	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"65645"	113.684190666667	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"504476"	171.029924	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"884467"	56.3384573333333	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"4133"	171.029924	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"442603"	257.048524	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"818217"	85.011324	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"83678"	343.067124	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"526518"	515.104324	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"901039"	171.029924	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"47224"	360.093671	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"489506"	532.130871	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"865242"	188.056471	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"32399"	365.049066	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"472002"	537.086266	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"850127"	193.011866	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1618814"	193.011866	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"96450"	189.018263	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"537470"	275.036863	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"930985"	102.999663	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"267593"	379.043802	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"660743"	551.081002	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1273675"	207.006602	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"16311"	381.023006	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"455693"	553.060206	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"833918"	208.985806	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1556392"	208.985806	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"943829"	217.035394	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"362085"	389.072601	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"347020"	403.088251	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1492851"	231.051051	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"958726"	239.017351	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"110964"	207.006602	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"551496"	293.025202	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1021753"	120.988002	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1241861"	250.956085	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1307072"	253.012072	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1323845"	274.994029	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"918185"	285.022786	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1295986"	320.999464	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1370867"	137.024524	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1387270"	155.0345	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"286955"	345.081676	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"679009"	517.118876	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1354629"	173.044476	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"126091"	173.044476	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"566099"	259.063076	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1037567"	87.025876	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"204426"	115.698742666667	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"644787"	173.044476	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1163519"	58.3530093333333	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"424729"	362.108223	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"787180"	534.145423	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1686440"	190.071023	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"343841"	181.5577495	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"736986"	267.5763495	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1489716"	95.5391495	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"404026"	367.063618	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"768299"	539.100818	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1615307"	195.026418	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"322063"	184.035447	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"713390"	270.054047	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1465023"	98.016847	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1064841"	65.6803233333333	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1268705"	205.070686	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"380719"	383.037558	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"743902"	555.074758	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1542674"	211.000358	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"300334"	192.022417	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"692390"	278.041017	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1451556"	106.003817	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"237242"	386.108226	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1210554"	214.071026	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1194794"	107.539151	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"189498"	389.04556	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"629419"	561.08276	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1132190"	217.00836	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"173292"	195.026418	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"613350"	281.045018	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1116128"	109.007818	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1400389"	73.0076373333333	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1432141"	219.049946	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"223664"	200.05944	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1512456"	233.10199	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"411411"	203.013388	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"775326"	289.031988	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1674939"	116.994788	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"257085"	408.090168	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1231983"	236.052968	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1717223"	236.076493	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1182209"	80.3349513333333	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1652829"	241.031888	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"164067"	420.99344	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"598639"	593.03064	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1084854"	248.95624	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"142642"	211.000358	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"582452"	297.018958	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1069510"	124.981758	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1101021"	250.970792	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1336432"	251.058407	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1009347"	255.097576	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1532943"	256.091208	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"992828"	128.052426	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1593895"	257.005828	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1418826"	287.037338	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1158592"	148.565701	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1708147"	304.063885	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1644890"	309.01928	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1573980"	324.99322	"C02652"	"5-Dehydroshikimate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"810907"	222.074	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M"	0
"981159"	203.05561	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-H2O-H"	-19.01839
"68306"	147.042057333333	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M-3H"	-3.021828
"504222"	221.066724	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M-3H"	-3.021828
"881294"	73.0173906666667	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-3H"	-3.021828
"4246"	221.066724	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M-2H"	-2.014552
"442713"	332.103724	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M-2H"	-2.014552
"822702"	110.029724	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-2H"	-2.014552
"87068"	443.140724	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M-H"	-1.007276
"524440"	665.214724	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M-H"	-1.007276
"905523"	221.066724	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-H"	-1.007276
"51149"	460.167271	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M-2H+NH4"	16.019271
"495083"	682.241271	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M-2H+NH4"	16.019271
"871791"	238.093271	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-2H+NH4"	16.019271
"35319"	465.122666	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M-2H+Na"	20.974666
"472813"	687.196666	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M-2H+Na"	20.974666
"850005"	243.048666	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-2H+Na"	20.974666
"1619059"	243.048666	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Na-2H"	20.974666
"95588"	239.055063	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M-H+Cl"	33.962126
"536852"	350.092063	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M-H+Cl"	33.962126
"930366"	128.018063	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-H+Cl"	33.962126
"269284"	479.117402	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+Cl"	34.969402
"661706"	701.191402	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+Cl"	34.969402
"1275932"	257.043402	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Cl"	34.969402
"17151"	481.096606	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M-2H+K"	36.948606
"461700"	703.170606	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M-2H+K"	36.948606
"836949"	259.022606	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-2H+K"	36.948606
"1558975"	259.022606	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+K-2H"	36.948606
"947225"	267.072194	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-H+HCOOH"	44.998194
"363981"	489.146201	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+HCOOH-H"	44.998201
"348599"	503.161851	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+Hac-H"	59.013851
"1495607"	281.087851	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Hac-H"	59.013851
"962419"	289.054151	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-H+NaCOOH"	66.980151
"113147"	257.043402	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+2Cl"	69.938804
"550390"	368.080402	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+2Cl"	69.938804
"1021989"	146.006402	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2Cl"	69.938804
"1245103"	300.992885	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Br"	78.918885
"1305116"	303.048872	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Cl+HCOOH"	80.974872
"1322859"	325.030829	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Cl+NaCOOH"	102.956829
"918293"	335.059586	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M-H+CF3COOH"	112.985586
"1302658"	371.036264	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Cl+CF3COOH"	148.962264
"1378632"	187.061324	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H-2H2O"	-35.012676
"1388477"	205.0713	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H-H2O"	-17.0027
"295815"	445.155276	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+H"	1.007276
"683863"	667.229276	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+H"	1.007276
"1358024"	223.081276	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H"	1.007276
"129088"	223.081276	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+2H"	2.014552
"569376"	334.118276	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+2H"	2.014552
"1038173"	112.044276	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2H"	2.014552
"205347"	149.056609333333	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+3H"	3.021828
"645637"	223.081276	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+3H"	3.021828
"1164126"	75.0319426666667	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+3H"	3.021828
"425211"	462.181823	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+NH4"	18.033823
"786086"	684.255823	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+NH4"	18.033823
"1682416"	240.107823	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+NH4"	18.033823
"342488"	231.5945495	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+H+NH4"	19.041099
"738239"	342.6315495	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+H+NH4"	19.041099
"1489462"	120.5575495	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H+NH4"	19.041099
"404131"	467.137218	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+Na"	22.989218
"767686"	689.211218	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+Na"	22.989218
"1615418"	245.063218	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Na"	22.989218
"324360"	234.072247	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+H+Na"	23.996494
"718969"	345.109247	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+H+Na"	23.996494
"1473884"	123.035247	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H+Na"	23.996494
"1059481"	82.3592566666667	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2H+Na"	25.00377
"1264442"	255.107486	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+CH3OH+H"	33.033486
"381923"	483.111158	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+K"	38.963158
"741823"	705.185158	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+K"	38.963158
"1543878"	261.037158	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+K"	38.963158
"302145"	242.059217	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+H+K"	39.970434
"696753"	353.096217	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+H+K"	39.970434
"1451667"	131.022217	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H+K"	39.970434
"242456"	486.181826	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+ACN+H"	42.033826
"1214069"	264.107826	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+ACN+H"	42.033826
"1199046"	132.557551	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+ACN+2H"	43.041102
"189850"	489.11916	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+2Na-H"	44.97116
"630141"	711.19316	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+2Na-H"	44.97116
"1131694"	267.04516	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2Na-H"	44.97116
"173897"	245.063218	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+2Na"	45.978436
"613944"	356.100218	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+2Na"	45.978436
"1120254"	134.026218	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2Na"	45.978436
"1402687"	89.6865706666667	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H+2Na"	46.985712
"1436994"	269.086746	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H+HCOOH"	47.012746
"223042"	250.09624	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+3H2O+2H"	56.04448
"1512566"	283.13879	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+IsoProp+H"	61.06479
"414440"	253.050188	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+Na+K"	61.952376
"773613"	364.087188	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+Na+K"	61.952376
"1671768"	142.013188	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Na+K"	61.952376
"253184"	508.163768	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+ACN+Na"	64.015768
"1227352"	286.089768	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+ACN+Na"	64.015768
"1720975"	286.113293	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+NH4+HCOOH"	64.039293
"1181223"	97.0138846666667	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+3Na"	68.967654
"1653667"	291.068688	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Na+HCOOH"	68.994688
"159798"	521.06704	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+2K-H"	76.91904
"599357"	743.14104	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+2K-H"	76.91904
"1086055"	298.99304	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2K-H"	76.91904
"143602"	261.037158	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"2M+2K"	77.926316
"583041"	372.074158	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"3M+2K"	77.926316
"1070714"	150.000158	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2K"	77.926316
"1100157"	301.007592	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2K+H"	78.933592
"1336181"	301.095207	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+DMSO+H"	79.021207
"1008365"	305.134376	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2ACN+H"	83.060376
"1525151"	306.128008	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+IsoProp+Na+H"	84.054008
"1005097"	153.070826	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+2ACN+2H"	84.067652
"1592913"	307.042628	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+K+HCOOH"	84.968628
"1428414"	337.074138	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+H+CF3COOH"	115.000138
"1159798"	173.584101	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+3ACN+2H"	125.094202
"1710443"	354.100685	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+NH4+CF3COOH"	132.026685
"1642814"	359.05608	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+Na+CF3COOH"	136.98208
"1580652"	375.03002	"C02655"	"6-Acetyl-D-glucose"	"C8H14O7"	"222.074"	"M+K+CF3COOH"	152.95602
"803362"	160.0736	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M"	0
"982362"	141.05521	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-H2O-H"	-19.01839
"68416"	105.708457333333	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M-3H"	-3.021828
"507246"	159.066324	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M-3H"	-3.021828
"881403"	52.3505906666667	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-3H"	-3.021828
"1439"	159.066324	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M-2H"	-2.014552
"441729"	239.103124	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M-2H"	-2.014552
"821719"	79.029524	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-2H"	-2.014552
"86085"	319.139924	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M-H"	-1.007276
"523457"	479.213524	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M-H"	-1.007276
"904539"	159.066324	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-H"	-1.007276
"52353"	336.166471	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M-2H+NH4"	16.019271
"495192"	496.240071	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M-2H+NH4"	16.019271
"872995"	176.092871	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-2H+NH4"	16.019271
"33242"	341.121866	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M-2H+Na"	20.974666
"472194"	501.195466	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M-2H+Na"	20.974666
"849629"	181.048266	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-2H+Na"	20.974666
"1620262"	181.048266	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Na-2H"	20.974666
"96305"	177.054663	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M-H+Cl"	33.962126
"538054"	257.091463	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M-H+Cl"	33.962126
"930113"	97.017863	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-H+Cl"	33.962126
"269394"	355.116602	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+Cl"	34.969402
"661816"	515.190202	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+Cl"	34.969402
"1275313"	195.043002	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Cl"	34.969402
"17505"	357.095806	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M-2H+K"	36.948606
"461810"	517.169406	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M-2H+K"	36.948606
"836695"	197.022206	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-2H+K"	36.948606
"1557265"	197.022206	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+K-2H"	36.948606
"946242"	205.071794	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-H+HCOOH"	44.998194
"361907"	365.145401	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+HCOOH-H"	44.998201
"347980"	379.161051	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+Hac-H"	59.013851
"1496081"	219.087451	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Hac-H"	59.013851
"962529"	227.053751	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-H+NaCOOH"	66.980151
"111799"	195.043002	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+2Cl"	69.938804
"550504"	275.079802	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+2Cl"	69.938804
"1024535"	115.006202	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2Cl"	69.938804
"1241788"	238.992485	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Br"	78.918885
"1304364"	241.048472	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Cl+HCOOH"	80.974872
"1320412"	263.030429	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Cl+NaCOOH"	102.956829
"916216"	273.059186	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M-H+CF3COOH"	112.985586
"1288566"	309.035864	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Cl+CF3COOH"	148.962264
"1372181"	125.060924	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H-2H2O"	-35.012676
"1386397"	143.0709	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H-H2O"	-17.0027
"286084"	321.154476	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+H"	1.007276
"679597"	481.228076	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+H"	1.007276
"1351388"	161.080876	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H"	1.007276
"127740"	161.080876	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+2H"	2.014552
"569486"	241.117676	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+2H"	2.014552
"1037341"	81.044076	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2H"	2.014552
"204433"	107.723009333333	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+3H"	3.021828
"646111"	161.080876	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+3H"	3.021828
"1162923"	54.3651426666667	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+3H"	3.021828
"425079"	338.181023	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+NH4"	18.033823
"785687"	498.254623	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+NH4"	18.033823
"1681321"	178.107423	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+NH4"	18.033823
"333847"	169.5941495	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+H+NH4"	19.041099
"738106"	249.6309495	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+H+NH4"	19.041099
"1487749"	89.5573495	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H+NH4"	19.041099
"402053"	343.136418	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+Na"	22.989218
"768525"	503.210018	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+Na"	22.989218
"1613341"	183.062818	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Na"	22.989218
"324470"	172.071847	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+H+Na"	23.996494
"722646"	252.108647	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+H+Na"	23.996494
"1473995"	92.035047	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H+Na"	23.996494
"1060684"	61.6924566666667	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2H+Na"	25.00377
"1266739"	193.107086	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+CH3OH+H"	33.033486
"382033"	359.110358	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+K"	38.963158
"741935"	519.183958	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+K"	38.963158
"1545082"	199.036758	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+K"	38.963158
"303348"	180.058817	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+H+K"	39.970434
"696863"	260.095617	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+H+K"	39.970434
"1451777"	100.022017	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H+K"	39.970434
"242566"	362.181026	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+ACN+H"	42.033826
"1215273"	202.107426	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+ACN+H"	42.033826
"1200250"	101.557351	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+ACN+2H"	43.041102
"189348"	365.11836	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+2Na-H"	44.97116
"630131"	525.19196	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+2Na-H"	44.97116
"1131759"	205.04476	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2Na-H"	44.97116
"173765"	183.062818	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+2Na"	45.978436
"612904"	263.099618	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+2Na"	45.978436
"1119999"	103.026018	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2Na"	45.978436
"1405349"	69.0197706666667	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H+2Na"	46.985712
"1432361"	207.086346	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H+HCOOH"	47.012746
"225706"	188.09584	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+3H2O+2H"	56.04448
"1517049"	221.13839	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+IsoProp+H"	61.06479
"416736"	191.049788	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+Na+K"	61.952376
"778825"	271.086588	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+Na+K"	61.952376
"1675157"	111.012988	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Na+K"	61.952376
"255846"	384.162968	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+ACN+Na"	64.015768
"1228555"	224.089368	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+ACN+Na"	64.015768
"1721085"	224.112893	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+NH4+HCOOH"	64.039293
"1182425"	76.3470846666667	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+3Na"	68.967654
"1654505"	229.068288	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Na+HCOOH"	68.994688
"159907"	397.06624	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+2K-H"	76.91904
"597642"	557.13984	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+2K-H"	76.91904
"1086165"	236.99264	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2K-H"	76.91904
"142131"	199.036758	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"2M+2K"	77.926316
"582420"	279.073558	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"3M+2K"	77.926316
"1070094"	118.999958	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2K"	77.926316
"1100627"	239.007192	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2K+H"	78.933592
"1336413"	239.094807	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+DMSO+H"	79.021207
"1010661"	243.133976	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2ACN+H"	83.060376
"1525261"	244.127608	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+IsoProp+Na+H"	84.054008
"1003624"	122.070626	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+2ACN+2H"	84.067652
"1593023"	245.042228	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+K+HCOOH"	84.968628
"1425244"	275.073738	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+H+CF3COOH"	115.000138
"1158815"	142.583901	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+3ACN+2H"	125.094202
"1709460"	292.100285	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+NH4+CF3COOH"	132.026685
"1642924"	297.05568	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+Na+CF3COOH"	136.98208
"1580762"	313.02962	"C02656"	"Pimelate;Pimelic acid;Heptanedioic acid;6-Carboxyhexanoate"	"C7H12O4"	"160.0736"	"M+K+CF3COOH"	152.95602
"802743"	152.0473	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M"	0
"983566"	133.02891	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"68526"	100.357590666667	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"508086"	151.040024	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"882607"	49.6751573333333	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"1185"	151.040024	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"442932"	227.063674	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"822923"	75.016374	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"85102"	303.087324	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"526848"	455.134624	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"904649"	151.040024	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"55743"	320.113871	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"495303"	472.161171	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"875292"	168.066571	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"38819"	325.069266	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"471655"	477.116566	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"848889"	173.021966	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1619886"	173.021966	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"97509"	169.028363	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"538165"	245.052013	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"930951"	93.004713	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"268774"	339.064002	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"661925"	491.111302	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1276152"	187.016702	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"17978"	341.043206	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"457909"	493.090506	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"835346"	188.995906	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1555917"	188.995906	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"944529"	197.045494	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"362744"	349.092801	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"351005"	363.108451	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1496557"	211.061151	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"964098"	219.027451	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"113006"	187.016702	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"552197"	263.040352	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1024645"	110.993052	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1241372"	230.966185	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1304479"	233.022172	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1320437"	255.004129	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"916326"	265.032886	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1288891"	301.009564	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1371196"	117.034624	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1385414"	135.0446	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"286194"	305.101876	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"677884"	457.149176	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1353866"	153.054576	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"126755"	153.054576	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"567409"	229.078226	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1037332"	77.030926	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"204545"	102.372142666667	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"644512"	153.054576	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1162839"	51.6897093333333	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"424811"	322.128423	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"785890"	474.175723	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1681397"	170.081123	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"335049"	161.5678495	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"737690"	237.5914995	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1488952"	85.5441995	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"404350"	327.083818	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"765349"	479.131118	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1613449"	175.036518	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"321298"	164.045547	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"714815"	240.069197	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1468635"	88.021897	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1065162"	59.0170233333333	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1262471"	185.080786	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"382143"	343.057758	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"741314"	495.105058	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1544099"	191.010458	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"301635"	172.032517	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"696973"	248.056167	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1454074"	96.008867	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"240489"	346.128426	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1214291"	194.081126	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1199996"	97.544201	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"189219"	349.06576	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"629148"	501.11306	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1131641"	197.01846	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"173063"	175.036518	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"613069"	251.060168	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1120474"	99.012868	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1405095"	66.3443373333333	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1433200"	199.060046	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"228002"	180.06954	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1518252"	213.11209	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"415753"	183.023488	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"780028"	259.047138	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1673080"	106.999838	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"254133"	368.110368	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1230122"	216.063068	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1717915"	216.086593	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1180713"	73.6716513333333	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1651091"	221.041988	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"160382"	381.01364	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"597224"	533.06094	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1085548"	228.96634	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"143581"	191.010458	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"583020"	267.034108	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1070447"	114.986808	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1100737"	230.980892	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1335918"	231.068507	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1010771"	235.107676	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1524804"	236.101308	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1003734"	118.057476	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1594226"	237.015928	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1425354"	267.047438	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1159655"	138.570751	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1708477"	284.073985	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1643034"	289.02938	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1580872"	305.00332	"C02657"	"6-Methylsalicylate;6-Methylsalicylic acid;2-Hydroxy-6-methylbenzoic acid;6-Methyl-2-hydroxybenzenecarboxylate"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"810147"	85.0528	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M"	0
"982586"	66.03441	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-H2O-H"	-19.01839
"67546"	55.6945906666667	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M-3H"	-3.021828
"504919"	84.045524	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M-3H"	-3.021828
"886004"	27.3436573333333	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-3H"	-3.021828
"7858"	84.045524	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M-2H"	-2.014552
"441589"	126.571924	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M-2H"	-2.014552
"821941"	41.519124	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-2H"	-2.014552
"79131"	169.098324	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M-H"	-1.007276
"522584"	254.151124	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M-H"	-1.007276
"898562"	84.045524	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-H"	-1.007276
"51479"	186.124871	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M-2H+NH4"	16.019271
"494320"	271.177671	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M-2H+NH4"	16.019271
"865317"	101.072071	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-2H+NH4"	16.019271
"32974"	191.080266	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M-2H+Na"	20.974666
"471806"	276.133066	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M-2H+Na"	20.974666
"853021"	106.027466	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-2H+Na"	20.974666
"1626929"	106.027466	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Na-2H"	20.974666
"100177"	102.033863	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M-H+Cl"	33.962126
"537184"	144.560263	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M-H+Cl"	33.962126
"928145"	59.507463	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-H+Cl"	33.962126
"268883"	205.075002	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+Cl"	34.969402
"661671"	290.127802	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+Cl"	34.969402
"1275895"	120.022202	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Cl"	34.969402
"19547"	207.054206	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M-2H+K"	36.948606
"459108"	292.107006	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M-2H+K"	36.948606
"834356"	122.001406	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-2H+K"	36.948606
"1557118"	122.001406	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+K-2H"	36.948606
"943545"	130.050994	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-H+HCOOH"	44.998194
"363219"	215.103801	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+HCOOH-H"	44.998201
"346740"	229.119451	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+Hac-H"	59.013851
"1493746"	144.066651	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Hac-H"	59.013851
"959834"	152.032951	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-H+NaCOOH"	66.980151
"113477"	120.022202	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+2Cl"	69.938804
"551214"	162.548602	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+2Cl"	69.938804
"1021834"	77.495802	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2Cl"	69.938804
"1241699"	163.971685	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Br"	78.918885
"1304182"	166.027672	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Cl+HCOOH"	80.974872
"1320034"	188.009629	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Cl+NaCOOH"	102.956829
"911481"	198.038386	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M-H+CF3COOH"	112.985586
"1294238"	234.015064	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Cl+CF3COOH"	148.962264
"1370576"	50.040124	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H-2H2O"	-35.012676
"1385524"	68.0501	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H-H2O"	-17.0027
"289583"	171.112876	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+H"	1.007276
"676900"	256.165676	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+H"	1.007276
"1351748"	86.060076	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H"	1.007276
"129053"	86.060076	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+2H"	2.014552
"567519"	128.586476	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+2H"	2.014552
"1037325"	43.533676	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2H"	2.014552
"204303"	57.7091426666667	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+3H"	3.021828
"644538"	86.060076	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+3H"	3.021828
"1163229"	29.3582093333333	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+3H"	3.021828
"425180"	188.139423	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+NH4"	18.033823
"785923"	273.192223	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+NH4"	18.033823
"1681775"	103.086623	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+NH4"	18.033823
"340631"	94.5733495	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+H+NH4"	19.041099
"737064"	137.0997495	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+H+NH4"	19.041099
"1490885"	52.0469495	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H+NH4"	19.041099
"404459"	193.094818	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+Na"	22.989218
"762179"	278.147618	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+Na"	22.989218
"1611371"	108.042018	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Na"	22.989218
"319224"	97.051047	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+H+Na"	23.996494
"711645"	139.577447	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+H+Na"	23.996494
"1466560"	54.524647	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H+Na"	23.996494
"1060905"	36.6855233333333	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2H+Na"	25.00377
"1262582"	118.086286	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+CH3OH+H"	33.033486
"381161"	209.068758	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+K"	38.963158
"740697"	294.121558	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+K"	38.963158
"1544207"	124.015958	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+K"	38.963158
"298623"	105.038017	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+H+K"	39.970434
"691773"	147.564417	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+H+K"	39.970434
"1453090"	62.511617	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H+K"	39.970434
"239869"	212.139426	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+ACN+H"	42.033826
"1214403"	127.086626	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+ACN+H"	42.033826
"1195370"	64.046951	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+ACN+2H"	43.041102
"188759"	215.07676	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+2Na-H"	44.97116
"628649"	300.12956	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+2Na-H"	44.97116
"1133858"	130.02396	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2Na-H"	44.97116
"175696"	108.042018	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+2Na"	45.978436
"621456"	150.568418	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+2Na"	45.978436
"1123870"	65.515618	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2Na"	45.978436
"1403382"	44.0128373333333	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H+2Na"	46.985712
"1437323"	132.065546	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H+HCOOH"	47.012746
"230302"	113.07504	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+3H2O+2H"	56.04448
"1509978"	146.11759	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+IsoProp+H"	61.06479
"412945"	116.028988	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+Na+K"	61.952376
"771752"	158.555388	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+Na+K"	61.952376
"1668451"	73.502588	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Na+K"	61.952376
"256793"	234.121368	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+ACN+Na"	64.015768
"1228770"	149.068568	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+ACN+Na"	64.015768
"1714012"	149.092093	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+NH4+HCOOH"	64.039293
"1178624"	51.3401513333333	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+3Na"	68.967654
"1649914"	154.047488	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Na+HCOOH"	68.994688
"158175"	247.02464	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+2K-H"	76.91904
"597451"	332.07744	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+2K-H"	76.91904
"1085283"	161.97184	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2K-H"	76.91904
"142468"	124.015958	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"2M+2K"	77.926316
"582513"	166.542358	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"3M+2K"	77.926316
"1068494"	81.489558	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2K"	77.926316
"1103780"	163.986392	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2K+H"	78.933592
"1345634"	164.074007	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+DMSO+H"	79.021207
"1010882"	168.113176	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2ACN+H"	83.060376
"1535573"	169.106808	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+IsoProp+Na+H"	84.054008
"999833"	84.560226	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+2ACN+2H"	84.067652
"1592150"	170.021428	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+K+HCOOH"	84.968628
"1428383"	200.052938	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+H+CF3COOH"	115.000138
"1155753"	105.073501	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+3ACN+2H"	125.094202
"1708588"	217.079485	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+NH4+CF3COOH"	132.026685
"1639865"	222.03488	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+Na+CF3COOH"	136.98208
"1580983"	238.00882	"C02659"	"Acetone cyanohydrin;alpha-Hydroxyisobutyronitrile;2-Hydroxy-2-methylpropanenitrile;2-Methyllactonitrile;Acetone cyanhydrin;2-Hydroxyisobutyronitrile"	"C4H7NO"	"85.0528"	"M+K+CF3COOH"	152.95602
"804787"	149.0299	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M"	0
"984882"	130.01151	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-H2O-H"	-19.01839
"70936"	98.3459906666667	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M-3H"	-3.021828
"509402"	148.022624	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M-3H"	-3.021828
"891580"	48.6693573333333	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-3H"	-3.021828
"9061"	148.022624	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M-2H"	-2.014552
"446437"	222.537574	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M-2H"	-2.014552
"825330"	73.507674	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-2H"	-2.014552
"81311"	297.052524	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M-H"	-1.007276
"523789"	446.082424	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M-H"	-1.007276
"901589"	148.022624	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-H"	-1.007276
"54870"	314.079071	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M-2H+NH4"	16.019271
"495525"	463.108971	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M-2H+NH4"	16.019271
"872233"	165.049171	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-2H+NH4"	16.019271
"32842"	319.034466	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M-2H+Na"	20.974666
"473253"	468.064366	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M-2H+Na"	20.974666
"853495"	170.004566	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-2H+Na"	20.974666
"1627039"	170.004566	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Na-2H"	20.974666
"100287"	166.010963	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M-H+Cl"	33.962126
"537658"	240.525913	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M-H+Cl"	33.962126
"928618"	91.496013	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-H+Cl"	33.962126
"270091"	333.029202	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+Cl"	34.969402
"663243"	482.059102	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+Cl"	34.969402
"1276739"	183.999302	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Cl"	34.969402
"21480"	335.008406	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M-2H+K"	36.948606
"457397"	484.038306	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M-2H+K"	36.948606
"833863"	185.978506	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-2H+K"	36.948606
"1559051"	185.978506	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+K-2H"	36.948606
"944748"	194.028094	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-H+HCOOH"	44.998194
"363329"	343.058001	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+HCOOH-H"	44.998201
"346036"	357.073651	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+Hac-H"	59.013851
"1494583"	208.043751	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Hac-H"	59.013851
"961037"	216.010051	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-H+NaCOOH"	66.980151
"113586"	183.999302	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+2Cl"	69.938804
"553874"	258.514252	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+2Cl"	69.938804
"1022186"	109.484352	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2Cl"	69.938804
"1242256"	227.948785	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Br"	78.918885
"1304229"	230.004772	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Cl+HCOOH"	80.974872
"1321110"	251.986729	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Cl+NaCOOH"	102.956829
"911924"	262.015486	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M-H+CF3COOH"	112.985586
"1293255"	297.992164	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Cl+CF3COOH"	148.962264
"1373602"	114.017224	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H-2H2O"	-35.012676
"1388914"	132.0272	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H-H2O"	-17.0027
"292973"	299.067076	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+H"	1.007276
"677739"	448.096976	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+H"	1.007276
"1351657"	150.037176	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H"	1.007276
"126364"	150.037176	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+2H"	2.014552
"565762"	224.552126	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+2H"	2.014552
"1037120"	75.522226	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2H"	2.014552
"204446"	100.360542666667	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+3H"	3.021828
"644489"	150.037176	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+3H"	3.021828
"1162872"	50.6839093333333	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+3H"	3.021828
"425411"	316.093623	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+NH4"	18.033823
"785866"	465.123523	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+NH4"	18.033823
"1682004"	167.063723	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+NH4"	18.033823
"339647"	158.5504495	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+H+NH4"	19.041099
"733162"	233.0653995	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+H+NH4"	19.041099
"1492129"	84.0354995	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H+NH4"	19.041099
"400195"	321.049018	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+Na"	22.989218
"762290"	470.078918	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+Na"	22.989218
"1608202"	172.019118	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Na"	22.989218
"321521"	161.028147	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+H+Na"	23.996494
"710661"	235.543097	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+H+Na"	23.996494
"1465576"	86.513197	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H+Na"	23.996494
"1056640"	58.0112233333333	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2H+Na"	25.00377
"1263785"	182.063386	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+CH3OH+H"	33.033486
"377294"	337.022958	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+K"	38.963158
"740443"	486.052858	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+K"	38.963158
"1541401"	187.993058	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+K"	38.963158
"298850"	169.015117	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+H+K"	39.970434
"691559"	243.530067	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+H+K"	39.970434
"1451013"	94.500167	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H+K"	39.970434
"239615"	340.093626	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+ACN+H"	42.033826
"1212689"	191.063726	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+ACN+H"	42.033826
"1194379"	96.035501	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+ACN+2H"	43.041102
"188580"	343.03096	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+2Na-H"	44.97116
"628581"	492.06086	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+2Na-H"	44.97116
"1131780"	194.00106	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2Na-H"	44.97116
"175801"	172.019118	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+2Na"	45.978436
"616098"	246.534068	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+2Na"	45.978436
"1120700"	97.504168	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2Na"	45.978436
"1400576"	65.3385373333333	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H+2Na"	46.985712
"1437433"	196.042646	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H+HCOOH"	47.012746
"231505"	177.05214	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+3H2O+2H"	56.04448
"1511182"	210.09469	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+IsoProp+H"	61.06479
"412327"	180.006088	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+Na+K"	61.952376
"772956"	254.521038	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+Na+K"	61.952376
"1670017"	105.491138	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Na+K"	61.952376
"256902"	362.075568	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+ACN+Na"	64.015768
"1228150"	213.045668	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+ACN+Na"	64.015768
"1715580"	213.069193	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+NH4+HCOOH"	64.039293
"1178621"	72.6658513333333	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+3Na"	68.967654
"1649972"	218.024588	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Na+HCOOH"	68.994688
"157232"	374.97884	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+2K-H"	76.91904
"597120"	524.00874	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+2K-H"	76.91904
"1084241"	225.94894	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2K-H"	76.91904
"141483"	187.993058	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"2M+2K"	77.926316
"581424"	262.508008	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"3M+2K"	77.926316
"1069456"	113.478108	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2K"	77.926316
"1106076"	227.963492	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2K+H"	78.933592
"1343558"	228.051107	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+DMSO+H"	79.021207
"1012085"	232.090276	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2ACN+H"	83.060376
"1536776"	233.083908	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+IsoProp+Na+H"	84.054008
"999943"	116.548776	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+2ACN+2H"	84.067652
"1593353"	233.998528	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+K+HCOOH"	84.968628
"1426669"	264.030038	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+H+CF3COOH"	115.000138
"1152583"	137.062051	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+3ACN+2H"	125.094202
"1707605"	281.056585	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+NH4+CF3COOH"	132.026685
"1639975"	286.01198	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+Na+CF3COOH"	136.98208
"1581093"	301.98592	"C02660"	"Benzyl thiocyanate"	"C8H7NS"	"149.0299"	"M+K+CF3COOH"	152.95602
"811458"	127.9028	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M"	0
"987179"	108.88441	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-H2O-H"	-19.01839
"65579"	84.2612573333333	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M-3H"	-3.021828
"505139"	126.895524	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M-3H"	-3.021828
"887317"	41.6269906666667	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-3H"	-3.021828
"9171"	126.895524	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M-2H"	-2.014552
"445455"	190.846924	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M-2H"	-2.014552
"822159"	62.944124	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-2H"	-2.014552
"82151"	254.798324	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M-H"	-1.007276
"524991"	382.701124	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M-H"	-1.007276
"899512"	126.895524	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-H"	-1.007276
"53887"	271.824871	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M-2H+NH4"	16.019271
"494542"	399.727671	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M-2H+NH4"	16.019271
"867969"	143.922071	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-2H+NH4"	16.019271
"32829"	276.780266	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M-2H+Na"	20.974666
"473485"	404.683066	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M-2H+Na"	20.974666
"851417"	148.877466	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-2H+Na"	20.974666
"1627149"	148.877466	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Na-2H"	20.974666
"100397"	144.883863	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M-H+Cl"	33.962126
"537768"	208.835263	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M-H+Cl"	33.962126
"928730"	80.932463	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-H+Cl"	33.962126
"269472"	290.775002	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+Cl"	34.969402
"661527"	418.677802	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+Cl"	34.969402
"1275390"	162.872202	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Cl"	34.969402
"21590"	292.754206	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M-2H+K"	36.948606
"458236"	420.657006	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M-2H+K"	36.948606
"833851"	164.851406	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-2H+K"	36.948606
"1557339"	164.851406	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+K-2H"	36.948606
"945951"	172.900994	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-H+HCOOH"	44.998194
"365262"	300.803801	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+HCOOH-H"	44.998201
"346593"	314.819451	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+Hac-H"	59.013851
"1495423"	186.916651	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Hac-H"	59.013851
"962236"	194.882951	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-H+NaCOOH"	66.980151
"111873"	162.872202	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+2Cl"	69.938804
"555079"	226.823602	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+2Cl"	69.938804
"1021452"	98.920802	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2Cl"	69.938804
"1241430"	206.821685	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Br"	78.918885
"1305182"	208.877672	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Cl+HCOOH"	80.974872
"1322315"	230.859629	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Cl+NaCOOH"	102.956829
"912278"	240.888386	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M-H+CF3COOH"	112.985586
"1293365"	276.865064	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Cl+CF3COOH"	148.962264
"1370432"	92.890124	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H-2H2O"	-35.012676
"1389024"	110.9001	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H-H2O"	-17.0027
"293083"	256.812876	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+H"	1.007276
"680036"	384.715676	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+H"	1.007276
"1352011"	128.910076	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H"	1.007276
"126111"	128.910076	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+2H"	2.014552
"566645"	192.861476	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+2H"	2.014552
"1037752"	64.958676	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2H"	2.014552
"205533"	86.2758093333333	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+3H"	3.021828
"644275"	128.910076	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+3H"	3.021828
"1165407"	43.6415426666667	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+3H"	3.021828
"425276"	273.839423	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+NH4"	18.033823
"785981"	401.742223	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+NH4"	18.033823
"1686006"	145.936623	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+NH4"	18.033823
"332098"	137.4233495	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+H+NH4"	19.041099
"732179"	201.3747495	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+H+NH4"	19.041099
"1490373"	73.4719495	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H+NH4"	19.041099
"397024"	278.794818	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+Na"	22.989218
"762397"	406.697618	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+Na"	22.989218
"1607219"	150.892018	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Na"	22.989218
"320538"	139.901047	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+H+Na"	23.996494
"711864"	203.852447	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+H+Na"	23.996494
"1471153"	75.949647	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H+Na"	23.996494
"1060030"	50.9688566666667	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2H+Na"	25.00377
"1259886"	160.936286	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+CH3OH+H"	33.033486
"377730"	294.768758	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+K"	38.963158
"740553"	422.671558	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+K"	38.963158
"1542239"	166.865958	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+K"	38.963158
"299407"	147.888017	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+H+K"	39.970434
"695480"	211.839417	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+H+K"	39.970434
"1447843"	83.936617	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H+K"	39.970434
"240817"	297.839426	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+ACN+H"	42.033826
"1212435"	169.936626	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+ACN+H"	42.033826
"1194731"	85.471951	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+ACN+2H"	43.041102
"189421"	300.77676	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+2Na-H"	44.97116
"629104"	428.67956	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+2Na-H"	44.97116
"1132620"	172.87396	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2Na-H"	44.97116
"175912"	150.892018	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+2Na"	45.978436
"616208"	214.843418	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+2Na"	45.978436
"1122997"	86.940618	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2Na"	45.978436
"1401414"	58.2961706666667	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H+2Na"	46.985712
"1436450"	174.915546	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H+HCOOH"	47.012746
"230522"	155.92504	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+3H2O+2H"	56.04448
"1511656"	188.96759	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+IsoProp+H"	61.06479
"409518"	158.878988	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+Na+K"	61.952376
"772702"	222.830388	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+Na+K"	61.952376
"1669400"	94.927588	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Na+K"	61.952376
"256282"	319.821368	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+ACN+Na"	64.015768
"1228991"	191.918568	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+ACN+Na"	64.015768
"1716054"	191.942093	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+NH4+HCOOH"	64.039293
"1178518"	65.6234846666667	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+3Na"	68.967654
"1649901"	196.897488	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Na+HCOOH"	68.994688
"157788"	332.72464	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+2K-H"	76.91904
"597389"	460.62744	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+2K-H"	76.91904
"1084415"	204.82184	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2K-H"	76.91904
"141551"	166.865958	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"2M+2K"	77.926316
"581559"	230.817358	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"3M+2K"	77.926316
"1068874"	102.914558	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2K"	77.926316
"1105093"	206.836392	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2K+H"	78.933592
"1346947"	206.924007	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+DMSO+H"	79.021207
"1012195"	210.963176	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2ACN+H"	83.060376
"1538710"	211.956808	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+IsoProp+Na+H"	84.054008
"1003700"	105.985226	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+2ACN+2H"	84.067652
"1600025"	212.871428	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+K+HCOOH"	84.968628
"1427872"	242.902938	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+H+CF3COOH"	115.000138
"1158161"	126.498501	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+3ACN+2H"	125.094202
"1708808"	259.929485	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+NH4+CF3COOH"	132.026685
"1640085"	264.88488	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+Na+CF3COOH"	136.98208
"1581203"	280.85882	"C02661"	"Bromochloromethane;Methylene chlorobromide"	"CH2BrCl"	"127.9028"	"M+K+CF3COOH"	152.95602
"811569"	178.063	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M"	0
"980725"	159.04461	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-H2O-H"	-19.01839
"66780"	117.701390666667	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M-3H"	-3.021828
"505245"	177.055724	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M-3H"	-3.021828
"888520"	58.3470573333333	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-3H"	-3.021828
"9281"	177.055724	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M-2H"	-2.014552
"442642"	266.087224	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M-2H"	-2.014552
"826643"	88.024224	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-2H"	-2.014552
"81533"	355.118724	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M-H"	-1.007276
"525102"	533.181724	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M-H"	-1.007276
"902904"	177.055724	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-H"	-1.007276
"50717"	372.145271	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M-2H+NH4"	16.019271
"495745"	550.208271	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M-2H+NH4"	16.019271
"870266"	194.082271	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-2H+NH4"	16.019271
"32211"	377.100666	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M-2H+Na"	20.974666
"473231"	555.163666	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M-2H+Na"	20.974666
"855170"	199.037666	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-2H+Na"	20.974666
"1622885"	199.037666	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Na-2H"	20.974666
"99048"	195.044063	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M-H+Cl"	33.962126
"537879"	284.075563	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M-H+Cl"	33.962126
"929569"	106.012563	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-H+Cl"	33.962126
"269583"	391.095402	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+Cl"	34.969402
"662368"	569.158402	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+Cl"	34.969402
"1275864"	213.032402	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Cl"	34.969402
"20605"	393.074606	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M-2H+K"	36.948606
"460164"	571.137606	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M-2H+K"	36.948606
"835053"	215.011606	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-2H+K"	36.948606
"1556721"	215.011606	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+K-2H"	36.948606
"948247"	223.061194	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-H+HCOOH"	44.998194
"365371"	401.124201	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+HCOOH-H"	44.998201
"347067"	415.139851	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+Hac-H"	59.013851
"1494805"	237.076851	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Hac-H"	59.013851
"960886"	245.043151	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-H+NaCOOH"	66.980151
"112710"	213.032402	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+2Cl"	69.938804
"553366"	302.063902	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+2Cl"	69.938804
"1021683"	124.000902	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2Cl"	69.938804
"1242233"	256.981885	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Br"	78.918885
"1305046"	259.037872	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Cl+HCOOH"	80.974872
"1320596"	281.019829	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Cl+NaCOOH"	102.956829
"912265"	291.048586	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M-H+CF3COOH"	112.985586
"1296755"	327.025264	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Cl+CF3COOH"	148.962264
"1370542"	143.050324	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H-2H2O"	-35.012676
"1385854"	161.0603	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H-H2O"	-17.0027
"289913"	357.133276	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+H"	1.007276
"683427"	535.196276	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+H"	1.007276
"1351636"	179.070276	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H"	1.007276
"126705"	179.070276	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+2H"	2.014552
"568212"	268.101776	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+2H"	2.014552
"1037858"	90.038776	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2H"	2.014552
"207830"	119.715942666667	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+3H"	3.021828
"647390"	179.070276	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+3H"	3.021828
"1165517"	60.3616093333333	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+3H"	3.021828
"425509"	374.159823	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+NH4"	18.033823
"785676"	552.222823	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+NH4"	18.033823
"1686116"	196.096823	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+NH4"	18.033823
"333301"	187.5835495	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+H+NH4"	19.041099
"730101"	276.6150495	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+H+NH4"	19.041099
"1490483"	98.5520495	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H+NH4"	19.041099
"397498"	379.115218	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+Na"	22.989218
"759225"	557.178218	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+Na"	22.989218
"1606228"	201.052218	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Na"	22.989218
"317361"	190.061247	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+H+Na"	23.996494
"710880"	279.092747	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+H+Na"	23.996494
"1467983"	101.029747	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H+Na"	23.996494
"1061233"	67.6889233333333	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2H+Na"	25.00377
"1259996"	211.096486	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+CH3OH+H"	33.033486
"384766"	395.089158	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+K"	38.963158
"741027"	573.152158	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+K"	38.963158
"1542713"	217.026158	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+K"	38.963158
"298914"	198.048217	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+H+K"	39.970434
"694497"	287.079717	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+H+K"	39.970434
"1451233"	109.016717	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H+K"	39.970434
"239834"	398.159826	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+ACN+H"	42.033826
"1212548"	220.096826	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+ACN+H"	42.033826
"1195576"	110.552051	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+ACN+2H"	43.041102
"188629"	401.09716	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+2Na-H"	44.97116
"629093"	579.16016	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+2Na-H"	44.97116
"1132608"	223.03416	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2Na-H"	44.97116
"174078"	201.052218	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+2Na"	45.978436
"618506"	290.083718	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+2Na"	45.978436
"1125293"	112.020718	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2Na"	45.978436
"1402256"	75.0162373333333	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H+2Na"	46.985712
"1437653"	225.075746	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H+HCOOH"	47.012746
"230632"	206.08524	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+3H2O+2H"	56.04448
"1518693"	239.12779	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+IsoProp+H"	61.06479
"411820"	209.039188	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+Na+K"	61.952376
"772448"	298.070688	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+Na+K"	61.952376
"1669510"	120.007688	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Na+K"	61.952376
"255666"	420.141768	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+ACN+Na"	64.015768
"1229832"	242.078768	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+ACN+Na"	64.015768
"1716529"	242.102293	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+NH4+HCOOH"	64.039293
"1178838"	82.3435513333333	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+3Na"	68.967654
"1650477"	247.057688	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Na+HCOOH"	68.994688
"157652"	433.04504	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+2K-H"	76.91904
"597341"	611.10804	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+2K-H"	76.91904
"1084891"	254.98204	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2K-H"	76.91904
"142310"	217.026158	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"2M+2K"	77.926316
"581750"	306.057658	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"3M+2K"	77.926316
"1068940"	127.994658	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2K"	77.926316
"1104110"	256.996592	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2K+H"	78.933592
"1347057"	257.084207	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+DMSO+H"	79.021207
"1012305"	261.123376	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2ACN+H"	83.060376
"1539310"	262.117008	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+IsoProp+Na+H"	84.054008
"1005515"	131.065326	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+2ACN+2H"	84.067652
"1601963"	263.031628	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+K+HCOOH"	84.968628
"1427983"	293.063138	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+H+CF3COOH"	115.000138
"1162282"	151.578601	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+3ACN+2H"	125.094202
"1708918"	310.089685	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+NH4+CF3COOH"	132.026685
"1638008"	315.04508	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+Na+CF3COOH"	136.98208
"1581313"	331.01902	"C02666"	"Coniferyl aldehyde;Coniferaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;Ferulaldehyde"	"C10H10O3"	"178.063"	"M+K+CF3COOH"	152.95602
"802565"	178.0477	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M"	0
"977555"	159.02931	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"64338"	117.691190666667	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"506447"	177.040424	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"889723"	58.3419573333333	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"9391"	177.040424	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"442387"	266.064274	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"820918"	88.016574	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"79814"	355.088124	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"521927"	533.135824	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"899367"	177.040424	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51191"	372.114671	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"492575"	550.162371	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"867461"	194.066971	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"31548"	377.070066	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"472370"	555.117766	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"850174"	199.022366	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1624087"	199.022366	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"96604"	195.028763	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"535431"	284.052613	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"929680"	106.004913	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"268600"	391.064802	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"661020"	569.112502	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1273789"	213.017102	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"17073"	393.044006	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"458453"	571.091706	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"834075"	214.996306	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1556221"	214.996306	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"945081"	223.045894	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"362322"	401.093601	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"351554"	415.109251	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1498196"	237.061551	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"960265"	245.027851	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"111969"	213.017102	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"552383"	302.040952	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1022282"	123.993252	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1242954"	256.966585	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1306132"	259.022572	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1321075"	281.004529	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"915783"	291.033286	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1301240"	327.009964	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1369925"	143.035024	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1392525"	161.045	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"286744"	357.102676	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"680258"	535.150376	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1352595"	179.054976	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"126210"	179.054976	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"568322"	268.078826	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1037241"	90.031126	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"205753"	119.705742666667	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"648595"	179.054976	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1166720"	60.3565093333333	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"425619"	374.129223	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"786128"	552.176923	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1687320"	196.081523	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"335601"	187.5682495	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"729119"	276.5920995	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1487313"	98.5443995	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"400527"	379.084618	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"760428"	557.132318	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1607434"	201.036918	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"317471"	190.045947	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"710991"	279.069797	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1471373"	101.022097	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1055873"	67.6838233333333	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1260831"	211.081186	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"380502"	395.058558	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"743681"	573.106258	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1544278"	217.010858	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"302912"	198.032917	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"694604"	287.056767	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1451343"	109.009067	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"238852"	398.129226	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1211563"	220.081526	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1194707"	110.544401	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"189280"	401.06656	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"629205"	579.11426	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1133204"	223.01886	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"174676"	201.036918	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"616061"	290.060768	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1119935"	112.013068	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1402728"	75.0111373333333	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1432288"	225.060446	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"230742"	206.06994	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1516616"	239.11249	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"411930"	209.023888	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"772557"	298.047738	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1668524"	120.000038	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"253590"	420.111168	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1229578"	242.063468	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1715180"	242.086993	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1179074"	82.3384513333333	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1650462"	247.042388	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"157890"	433.01444	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"597736"	611.06214	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1084878"	254.96674	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"144132"	217.010858	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"582589"	306.034708	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1069046"	127.987008	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1101301"	256.981292	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1346073"	257.068907	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1009134"	261.108076	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1539176"	262.101708	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1003554"	131.057676	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1601949"	263.016328	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1429555"	293.047838	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1162028"	151.570951	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1709028"	310.074385	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1640305"	315.02978	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1581423"	331.00372	"C02669"	"D-Galactono-15-lactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"802432"	176.0321	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M"	0
"974707"	157.01371	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"63151"	116.347457333333	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"502976"	175.024824	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"887647"	57.6700906666667	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"9501"	175.024824	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"441040"	263.040874	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"820301"	87.008774	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"78953"	351.056924	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"523134"	527.089024	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"902030"	175.024824	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"50208"	368.083471	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"494872"	544.115571	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"868301"	192.051371	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"32067"	373.038866	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"471874"	549.070966	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"849314"	197.006766	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1624197"	197.006766	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"95011"	193.013163	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"534410"	281.029213	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"927269"	104.997113	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"267242"	387.033602	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"660402"	563.065702	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1273534"	211.001502	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"17915"	389.012806	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"457469"	565.044906	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"833455"	212.980706	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1555765"	212.980706	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"946285"	221.030294	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"361610"	397.062401	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"348385"	411.078051	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1498306"	235.045951	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"959524"	243.012251	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"111472"	211.001502	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"552129"	299.017552	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1021574"	122.985452	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1247074"	254.950985	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1308428"	257.006972	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1323737"	278.988929	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"916982"	289.017686	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1291869"	324.994364	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1368935"	141.019424	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1383235"	159.0294	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"285757"	353.071476	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"677085"	529.103576	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1354526"	177.039376	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"127415"	177.039376	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"565687"	265.055426	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1037067"	89.023326	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"204770"	118.362009333333	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"648706"	177.039376	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1169017"	59.6846426666667	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"425728"	370.098023	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"786238"	546.130123	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1681352"	194.065923	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"335710"	185.5526495	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"732509"	273.5686995	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1484143"	97.5365995	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"397358"	375.053418	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"757258"	551.085518	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1605357"	199.021318	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"315760"	188.030347	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"708909"	276.046397	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1471483"	100.014297	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1055983"	67.0119566666667	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1259849"	209.065586	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"378789"	391.027358	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"741970"	567.059458	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1541837"	214.995258	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"304115"	196.017317	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"692526"	284.033367	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1445815"	108.001267	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"238962"	394.098026	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1213132"	218.065926	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1194344"	109.536601	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"188710"	397.03536	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"628952"	573.06746	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1131449"	221.00326	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"173693"	199.021318	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"616171"	287.037368	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1119317"	111.005268	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1401746"	74.3392706666667	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1431306"	223.044846	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"229757"	204.05434	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1516726"	237.09689	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"412038"	207.008288	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"777408"	295.024338	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1668268"	118.992238	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"256980"	416.079968	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1229688"	240.047868	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1713467"	240.071393	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1178933"	81.6665846666667	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1650007"	245.026788	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"157351"	428.98324	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"598296"	605.01534	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1084746"	252.95114	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"141453"	214.995258	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"581428"	303.011308	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1068627"	126.979208	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1099944"	254.965692	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1345090"	255.053307	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1008877"	259.092476	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1539778"	260.086108	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"1003664"	130.049876	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1602059"	261.000728	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1428935"	291.032238	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1162139"	150.563151	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1709138"	308.058785	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1640415"	313.01418	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1581533"	328.98812	"C02670"	"D-Glucuronolactone;Glucurone;D-Glucurono-36-lactone;D-Glucurone"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"805339"	398.2206	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M"	0
"978871"	379.20221	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-H2O-H"	-19.01839
"70395"	264.473124	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M-3H"	-3.021828
"509956"	397.213324	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M-3H"	-3.021828
"888852"	131.732924	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-3H"	-3.021828
"7424"	397.213324	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M-2H"	-2.014552
"440788"	596.323624	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M-2H"	-2.014552
"819319"	198.103024	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-2H"	-2.014552
"81130"	795.433924	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M-H"	-1.007276
"520083"	1193.654524	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M-H"	-1.007276
"898857"	397.213324	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-H"	-1.007276
"48861"	812.460471	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M-2H+NH4"	16.019271
"489511"	1210.681071	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M-2H+NH4"	16.019271
"866219"	414.239871	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-2H+NH4"	16.019271
"34130"	817.415866	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M-2H+Na"	20.974666
"474786"	1215.636466	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M-2H+Na"	20.974666
"852589"	419.195266	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-2H+Na"	20.974666
"1621029"	419.195266	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Na-2H"	20.974666
"101934"	415.201663	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M-H+Cl"	33.962126
"540400"	614.311963	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M-H+Cl"	33.962126
"931727"	216.091363	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-H+Cl"	33.962126
"269191"	831.410602	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+Cl"	34.969402
"660881"	1229.631202	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+Cl"	34.969402
"1274493"	433.190002	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Cl"	34.969402
"23133"	833.389806	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M-2H+K"	36.948606
"457224"	1231.610406	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M-2H+K"	36.948606
"833561"	435.169206	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-2H+K"	36.948606
"1556924"	435.169206	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+K-2H"	36.948606
"946394"	443.218794	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-H+HCOOH"	44.998194
"365702"	841.439401	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+HCOOH-H"	44.998201
"356149"	855.455051	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+Hac-H"	59.013851
"1500607"	457.234451	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Hac-H"	59.013851
"960493"	465.200751	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-H+NaCOOH"	66.980151
"110620"	433.190002	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+2Cl"	69.938804
"552245"	632.300302	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+2Cl"	69.938804
"1023232"	234.079702	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2Cl"	69.938804
"1244997"	477.139485	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Br"	78.918885
"1311819"	479.195472	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Cl+HCOOH"	80.974872
"1320691"	501.177429	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Cl+NaCOOH"	102.956829
"913088"	511.206186	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M-H+CF3COOH"	112.985586
"1292713"	547.182864	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Cl+CF3COOH"	148.962264
"1369780"	363.207924	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H-2H2O"	-35.012676
"1383628"	381.2179	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H-H2O"	-17.0027
"289152"	797.448476	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+H"	1.007276
"677198"	1195.669076	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+H"	1.007276
"1353908"	399.227876	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H"	1.007276
"127888"	399.227876	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+2H"	2.014552
"567086"	598.338176	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+2H"	2.014552
"1040262"	200.117576	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2H"	2.014552
"208529"	266.487676	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+3H"	3.021828
"646996"	399.227876	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+3H"	3.021828
"1166941"	133.747476	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+3H"	3.021828
"429120"	814.475023	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+NH4"	18.033823
"788659"	1212.695623	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+NH4"	18.033823
"1687545"	416.254423	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+NH4"	18.033823
"338011"	407.7411495	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+H+NH4"	19.041099
"729340"	606.8514495	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+H+NH4"	19.041099
"1477697"	208.6308495	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H+NH4"	19.041099
"397472"	819.430418	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+Na"	22.989218
"756278"	1217.651018	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+Na"	22.989218
"1603771"	421.209818	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Na"	22.989218
"315267"	410.218847	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+H+Na"	23.996494
"709034"	609.329147	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+H+Na"	23.996494
"1466134"	211.108547	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H+Na"	23.996494
"1055002"	141.07479	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2H+Na"	25.00377
"1258139"	431.254086	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+CH3OH+H"	33.033486
"377193"	835.404358	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+K"	38.963158
"740988"	1233.624958	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+K"	38.963158
"1542313"	437.183758	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+K"	38.963158
"300582"	418.205817	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+H+K"	39.970434
"695920"	617.316117	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+H+K"	39.970434
"1447194"	219.095517	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H+K"	39.970434
"237250"	838.475026	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+ACN+H"	42.033826
"1210810"	440.254426	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+ACN+H"	42.033826
"1194644"	220.630851	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+ACN+2H"	43.041102
"189145"	841.41236	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+2Na-H"	44.97116
"628913"	1239.63296	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+2Na-H"	44.97116
"1143280"	443.19176	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2Na-H"	44.97116
"180375"	421.209818	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+2Na"	45.978436
"615561"	620.320118	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+2Na"	45.978436
"1122345"	222.099518	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2Na"	45.978436
"1402590"	148.402104	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H+2Na"	46.985712
"1431418"	445.233346	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H+HCOOH"	47.012746
"221121"	426.24284	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+3H2O+2H"	56.04448
"1509544"	459.28539	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+IsoProp+H"	61.06479
"408622"	429.196788	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+Na+K"	61.952376
"770233"	628.307088	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+Na+K"	61.952376
"1666192"	230.086488	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Na+K"	61.952376
"252470"	860.456968	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+ACN+Na"	64.015768
"1226151"	462.236368	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+ACN+Na"	64.015768
"1714673"	462.259893	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+NH4+HCOOH"	64.039293
"1180031"	155.729418	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+3Na"	68.967654
"1650772"	467.215288	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Na+HCOOH"	68.994688
"157752"	873.36024	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+2K-H"	76.91904
"597192"	1271.58084	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+2K-H"	76.91904
"1084367"	475.13964	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2K-H"	76.91904
"141629"	437.183758	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"2M+2K"	77.926316
"587812"	636.294058	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"3M+2K"	77.926316
"1081076"	238.073458	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2K"	77.926316
"1111004"	477.154192	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2K+H"	78.933592
"1350312"	477.241807	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+DMSO+H"	79.021207
"1015921"	481.280976	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2ACN+H"	83.060376
"1538669"	482.274608	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+IsoProp+Na+H"	84.054008
"1004387"	241.144126	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+2ACN+2H"	84.067652
"1597185"	483.189228	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+K+HCOOH"	84.968628
"1427961"	513.220738	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+H+CF3COOH"	115.000138
"1162136"	261.657401	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+3ACN+2H"	125.094202
"1711446"	530.247285	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+NH4+CF3COOH"	132.026685
"1645995"	535.20268	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+Na+CF3COOH"	136.98208
"1581645"	551.17662	"C02673"	"Desacetoxyvindoline;16-Methoxy-23-dihydro-3-hydroxy-N-methyltabersonine;Deacetoxyvindoline"	"C23H30N2O4"	"398.2206"	"M+K+CF3COOH"	152.95602
"802533"	132.0423	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M"	0
"978981"	113.02391	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"70506"	87.020924	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"508974"	131.035024	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"888961"	43.006824	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"6441"	131.035024	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"441261"	197.056174	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"818335"	65.013874	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"80146"	263.077324	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"520192"	395.119624	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"897752"	131.035024	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"47632"	280.103871	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"488283"	412.146171	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"866696"	148.061571	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"33261"	285.059266	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"471889"	417.101566	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"850876"	153.016966	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1620409"	153.016966	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"95845"	149.023363	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"534715"	215.044513	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"927339"	83.002213	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"267434"	299.054002	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"661350"	431.096302	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1274843"	167.011702	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"16147"	301.033206	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"456235"	433.075506	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"834517"	168.990906	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1556428"	168.990906	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"946503"	177.040494	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"362896"	309.082801	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"355166"	323.098451	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1495251"	191.056151	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"964980"	199.022451	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"111701"	167.011702	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"555640"	233.032852	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1025531"	100.990552	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1245109"	210.961185	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1307557"	213.017172	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1321409"	234.999129	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"913198"	245.027886	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1292823"	281.004564	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1370983"	97.029624	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1385194"	115.0396	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"292542"	265.091876	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"676335"	397.134176	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1355841"	133.049576	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"127999"	133.049576	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"567925"	199.070726	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1041469"	67.028426	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"207185"	89.035476	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"649656"	133.049576	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1165965"	45.021376	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"427776"	282.118423	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"794605"	414.160723	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1688746"	150.076123	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"337024"	141.5628495	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"728357"	207.5839995	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1478170"	75.5416995	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"394664"	287.073818	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"759669"	419.116118	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1603635"	155.031518	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"315983"	144.040547	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"707180"	210.061697	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1461383"	78.019397	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1054020"	52.34869	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1257638"	165.075786	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"378031"	303.047758	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"741098"	435.090058	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1542057"	171.005458	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"303973"	152.027517	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"693113"	218.048667	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1447303"	86.006367	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"236388"	306.118426	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1210546"	174.076126	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1195036"	87.541701	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"189374"	309.05576	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"631496"	441.09806	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1132812"	177.01346	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"180485"	155.031518	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"618951"	221.052668	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1122455"	89.010368	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1402701"	59.676004	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1430807"	179.055046	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"220856"	160.06454	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1509291"	193.10709	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"409338"	163.018488	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"770827"	229.039638	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1666423"	96.997338	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"252095"	328.100368	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1227354"	196.058068	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1714420"	196.081593	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1179777"	67.003318	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1650401"	201.036988	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"157862"	341.00364	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"597411"	473.04594	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1084436"	208.96134	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"141897"	171.005458	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"585735"	237.026608	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1070119"	104.984308	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1112209"	210.975892	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1347502"	211.063507	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1014938"	215.102676	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1538292"	216.096308	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"1003646"	108.054976	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1598389"	217.010928	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1426241"	247.042438	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1162003"	128.568251	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1712284"	264.068985	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1646105"	269.02438	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1581755"	284.99832	"C02674"	"Deoxyribonolactone;2-Deoxyribonolactone"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"802643"	286.0841	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M"	0
"979092"	267.06571	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"70616"	189.715457333333	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"512364"	285.076824	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"889072"	94.3540906666667	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"8738"	285.076824	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"447205"	428.118874	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"822819"	142.034774	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"82810"	571.160924	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"525654"	857.245024	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"897987"	285.076824	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"50172"	588.187471	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"490099"	874.271571	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"868267"	302.103371	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"37262"	593.142866	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"473178"	879.226966	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"852810"	307.058766	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1621247"	307.058766	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"97780"	303.065163	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"537340"	446.107213	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"930855"	160.023113	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"267829"	607.137602	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"661832"	893.221702	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1275328"	321.053502	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"20073"	609.116806	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"457565"	895.200906	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"835246"	323.032706	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1555857"	323.032706	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"945522"	331.082294	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"363736"	617.166401	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"354182"	631.182051	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1499736"	345.097951	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"963998"	353.064251	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"113270"	321.053502	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"554657"	464.095552	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1025641"	178.011452	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1247406"	365.002985	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1312042"	367.058972	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1326259"	389.040929	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"919504"	399.069686	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1298400"	435.046364	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1374373"	251.071424	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1384580"	269.0814	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"295568"	573.175476	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"683980"	859.259576	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1354860"	287.091376	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"130297"	287.091376	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"568764"	430.133426	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1048870"	144.049326	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"210574"	191.730009333333	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"651228"	287.091376	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1168262"	96.3686426666667	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"429710"	590.202023	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"792528"	876.286123	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1691043"	304.117923	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"336406"	295.6046495	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"727739"	438.6466995	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1479742"	152.5625995	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"395140"	595.157418	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"758688"	881.241518	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1605694"	309.073318	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"321198"	298.082347	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"707626"	441.124397	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1461977"	155.040297	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1054982"	103.695956666667	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1261278"	319.117586	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"379485"	611.131358	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"741210"	897.215458	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1543991"	325.047258	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"302991"	306.069317	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"701244"	449.111367	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1447412"	163.027267	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"236374"	614.202026	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1211392"	328.117926	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1195271"	164.562601	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"190090"	617.13936	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"632335"	903.22346	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1133040"	331.05526	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"181687"	309.073318	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"619061"	452.115368	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1121473"	166.031268	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1400986"	111.023270666667	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1432009"	333.096846	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"221089"	314.10634	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1510124"	347.14889	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"409570"	317.060288	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"771180"	460.102338	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1666290"	174.018238	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"251961"	636.183968	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1228193"	350.099868	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1714529"	350.123393	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1180616"	118.350584666667	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1652333"	355.078788	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"157646"	649.08724	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"597443"	935.17134	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1084834"	363.00314	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"142620"	325.047258	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"589123"	468.089308	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1069012"	182.005208	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1109036"	365.017692	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1345425"	365.105307	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1020887"	369.144476	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1539132"	370.138108	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"1001813"	185.075876	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1593034"	371.052728	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1425258"	401.084238	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1161013"	205.589151	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1709469"	418.110785	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1640746"	423.06618	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1581865"	439.04012	"C02675"	"Dihydrobiochanin A;23-Dihydrobiochanin A"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"814417"	159.9532	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M"	0
"986856"	140.93481	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-H2O-H"	-19.01839
"76193"	105.628190666667	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M-3H"	-3.021828
"517577"	158.945924	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M-3H"	-3.021828
"894284"	52.3104573333333	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-3H"	-3.021828
"12129"	158.945924	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M-2H"	-2.014552
"445129"	238.922524	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M-2H"	-2.014552
"818920"	78.969324	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-2H"	-2.014552
"84016"	318.899124	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M-H"	-1.007276
"527951"	478.852324	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M-H"	-1.007276
"897736"	158.945924	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-H"	-1.007276
"49558"	335.925671	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M-2H+NH4"	16.019271
"490940"	495.878871	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M-2H+NH4"	16.019271
"869473"	175.972471	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-2H+NH4"	16.019271
"41018"	340.881066	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M-2H+Na"	20.974666
"476571"	500.834266	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M-2H+Na"	20.974666
"857292"	180.927866	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-2H+Na"	20.974666
"1622453"	180.927866	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Na-2H"	20.974666
"102264"	176.934263	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M-H+Cl"	33.962126
"538544"	256.910863	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M-H+Cl"	33.962126
"934245"	96.957663	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-H+Cl"	33.962126
"269884"	354.875802	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+Cl"	34.969402
"665222"	514.829002	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+Cl"	34.969402
"1277625"	194.922602	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Cl"	34.969402
"23464"	356.855006	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M-2H+K"	36.948606
"463022"	516.808206	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M-2H+K"	36.948606
"836449"	196.901806	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-2H+K"	36.948606
"1556291"	196.901806	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+K-2H"	36.948606
"945632"	204.951394	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-H+HCOOH"	44.998194
"366033"	364.904601	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+HCOOH-H"	44.998201
"348825"	378.920251	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+Hac-H"	59.013851
"1504220"	218.967051	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Hac-H"	59.013851
"970304"	226.933351	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-H+NaCOOH"	66.980151
"121764"	194.922602	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+2Cl"	69.938804
"558047"	274.899202	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+2Cl"	69.938804
"1029032"	114.946002	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2Cl"	69.938804
"1249703"	238.872085	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Br"	78.918885
"1314339"	240.928072	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Cl+HCOOH"	80.974872
"1327462"	262.910029	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Cl+NaCOOH"	102.956829
"919614"	272.938786	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M-H+CF3COOH"	112.985586
"1297417"	308.915464	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Cl+CF3COOH"	148.962264
"1374483"	124.940524	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H-2H2O"	-35.012676
"1387605"	142.9505	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H-H2O"	-17.0027
"295678"	320.913676	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+H"	1.007276
"680810"	480.866876	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+H"	1.007276
"1354969"	160.960476	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H"	1.007276
"127491"	160.960476	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+2H"	2.014552
"573980"	240.937076	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+2H"	2.014552
"1048251"	80.983876	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2H"	2.014552
"211777"	107.642742666667	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+3H"	3.021828
"650609"	160.960476	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+3H"	3.021828
"1169825"	54.3250093333333	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+3H"	3.021828
"430184"	337.940223	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+NH4"	18.033823
"793732"	497.893423	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+NH4"	18.033823
"1690060"	177.987023	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+NH4"	18.033823
"337609"	169.4737495	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+H+NH4"	19.041099
"735505"	249.4503495	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+H+NH4"	19.041099
"1482405"	89.4971495	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H+NH4"	19.041099
"395616"	342.895618	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+Na"	22.989218
"758797"	502.848818	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+Na"	22.989218
"1611271"	182.942418	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Na"	22.989218
"323495"	171.951447	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+H+Na"	23.996494
"707662"	251.928047	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+H+Na"	23.996494
"1465372"	91.974847	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H+Na"	23.996494
"1059711"	61.6523233333333	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2H+Na"	25.00377
"1262481"	192.986686	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+CH3OH+H"	33.033486
"383241"	358.869558	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+K"	38.963158
"743142"	518.822758	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+K"	38.963158
"1548476"	198.916358	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+K"	38.963158
"306017"	179.938417	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+H+K"	39.970434
"703541"	259.915017	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+H+K"	39.970434
"1451896"	99.961817	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H+K"	39.970434
"236489"	361.940226	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+ACN+H"	42.033826
"1213208"	201.987026	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+ACN+H"	42.033826
"1195385"	101.497151	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+ACN+2H"	43.041102
"189598"	364.87756	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+2Na-H"	44.97116
"631352"	524.83076	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+2Na-H"	44.97116
"1132179"	204.92436	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2Na-H"	44.97116
"180704"	182.942418	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+2Na"	45.978436
"624275"	262.919018	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+2Na"	45.978436
"1125959"	102.965818	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2Na"	45.978436
"1406199"	68.9796373333333	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H+2Na"	46.985712
"1432850"	206.965946	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H+HCOOH"	47.012746
"220594"	187.97544	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+3H2O+2H"	56.04448
"1510241"	221.01799	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+IsoProp+H"	61.06479
"409072"	190.929388	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+Na+K"	61.952376
"774573"	270.905988	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+Na+K"	61.952376
"1668714"	110.952788	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Na+K"	61.952376
"254506"	383.922168	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+ACN+Na"	64.015768
"1229402"	223.968968	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+ACN+Na"	64.015768
"1714646"	223.992493	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+NH4+HCOOH"	64.039293
"1181093"	76.3069513333333	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+3Na"	68.967654
"1651471"	228.947888	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Na+HCOOH"	68.994688
"158572"	396.82544	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+2K-H"	76.91904
"597399"	556.77864	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+2K-H"	76.91904
"1084545"	236.87224	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2K-H"	76.91904
"141486"	198.916358	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"2M+2K"	77.926316
"589233"	278.892958	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"3M+2K"	77.926316
"1069733"	118.939758	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2K"	77.926316
"1109146"	238.886792	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2K+H"	78.933592
"1347722"	238.974407	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+DMSO+H"	79.021207
"1020633"	243.013576	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2ACN+H"	83.060376
"1538755"	244.007208	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+IsoProp+Na+H"	84.054008
"1000830"	122.010426	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+2ACN+2H"	84.067652
"1594237"	244.921828	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+K+HCOOH"	84.968628
"1425368"	274.953338	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+H+CF3COOH"	115.000138
"1160030"	142.523701	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+3ACN+2H"	125.094202
"1708486"	291.979885	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+NH4+CF3COOH"	132.026685
"1640856"	296.93528	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+Na+CF3COOH"	136.98208
"1581975"	312.90922	"C02677"	"Dimethyl telluride"	"C2H6Te"	"159.9532"	"M+K+CF3COOH"	152.95602
"802499"	230.1518	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M"	0
"984779"	211.13341	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-H2O-H"	-19.01839
"70836"	152.427257333333	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M-3H"	-3.021828
"510397"	229.144524	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M-3H"	-3.021828
"892572"	75.7099906666667	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-3H"	-3.021828
"11146"	229.144524	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M-2H"	-2.014552
"445239"	344.220424	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M-2H"	-2.014552
"821946"	114.068624	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-2H"	-2.014552
"84127"	459.296324	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M-H"	-1.007276
"524781"	689.448124	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M-H"	-1.007276
"896626"	229.144524	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-H"	-1.007276
"47842"	476.322871	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M-2H+NH4"	16.019271
"487885"	706.474671	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M-2H+NH4"	16.019271
"868488"	246.171071	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-2H+NH4"	16.019271
"36024"	481.278266	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M-2H+Na"	20.974666
"475220"	711.430066	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M-2H+Na"	20.974666
"848689"	251.126466	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-2H+Na"	20.974666
"1618546"	251.126466	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Na-2H"	20.974666
"94835"	247.132863	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M-H+Cl"	33.962126
"534515"	362.208763	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M-H+Cl"	33.962126
"931075"	132.056963	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-H+Cl"	33.962126
"269630"	495.273002	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+Cl"	34.969402
"660304"	725.424802	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+Cl"	34.969402
"1273517"	265.121202	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Cl"	34.969402
"17377"	497.252206	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M-2H+K"	36.948606
"457665"	727.404006	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M-2H+K"	36.948606
"835466"	267.100406	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-2H+K"	36.948606
"1556401"	267.100406	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+K-2H"	36.948606
"942870"	275.149994	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-H+HCOOH"	44.998194
"362618"	505.301801	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+HCOOH-H"	44.998201
"345796"	519.317451	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+Hac-H"	59.013851
"1498862"	289.165651	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Hac-H"	59.013851
"967498"	297.131951	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-H+NaCOOH"	66.980151
"114219"	265.121202	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+2Cl"	69.938804
"555970"	380.197102	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+2Cl"	69.938804
"1026956"	150.045302	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2Cl"	69.938804
"1247627"	309.070685	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Br"	78.918885
"1314449"	311.126672	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Cl+HCOOH"	80.974872
"1327572"	333.108629	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Cl+NaCOOH"	102.956829
"920817"	343.137386	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M-H+CF3COOH"	112.985586
"1297527"	379.114064	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Cl+CF3COOH"	148.962264
"1373500"	195.139124	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H-2H2O"	-35.012676
"1384800"	213.1491	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H-H2O"	-17.0027
"296152"	461.310876	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+H"	1.007276
"680920"	691.462676	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+H"	1.007276
"1353257"	231.159076	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H"	1.007276
"128694"	231.159076	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+2H"	2.014552
"572997"	346.234976	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+2H"	2.014552
"1047267"	116.083176	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2H"	2.014552
"209701"	154.441809333333	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+3H"	3.021828
"648533"	231.159076	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+3H"	3.021828
"1169935"	77.7245426666667	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+3H"	3.021828
"429566"	478.337423	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+NH4"	18.033823
"790197"	708.489223	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+NH4"	18.033823
"1690170"	248.185623	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+NH4"	18.033823
"336261"	239.6723495	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+H+NH4"	19.041099
"733063"	354.7482495	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+H+NH4"	19.041099
"1485795"	124.5964495	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H+NH4"	19.041099
"398278"	483.292818	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+Na"	22.989218
"763282"	713.444618	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+Na"	22.989218
"1614297"	253.141018	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Na"	22.989218
"325428"	242.150047	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+H+Na"	23.996494
"708381"	357.225947	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+H+Na"	23.996494
"1466576"	127.074147	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H+Na"	23.996494
"1058728"	85.0518566666667	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2H+Na"	25.00377
"1263685"	263.185286	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+CH3OH+H"	33.033486
"383352"	499.266758	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+K"	38.963158
"746533"	729.418558	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+K"	38.963158
"1547492"	269.114958	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+K"	38.963158
"305035"	250.137017	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+H+K"	39.970434
"702558"	365.212917	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+H+K"	39.970434
"1453100"	135.061117	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H+K"	39.970434
"236477"	502.337426	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+ACN+H"	42.033826
"1216599"	272.185626	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+ACN+H"	42.033826
"1195743"	136.596451	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+ACN+2H"	43.041102
"194447"	505.27476	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+2Na-H"	44.97116
"629757"	735.42656	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+2Na-H"	44.97116
"1132048"	275.12296	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2Na-H"	44.97116
"176439"	253.141018	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+2Na"	45.978436
"619279"	368.216918	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+2Na"	45.978436
"1125340"	138.065118	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2Na"	45.978436
"1405216"	92.3791706666667	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H+2Na"	46.985712
"1431863"	277.164546	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H+HCOOH"	47.012746
"224841"	258.17404	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+3H2O+2H"	56.04448
"1511809"	291.21659	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+IsoProp+H"	61.06479
"408627"	261.127988	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+Na+K"	61.952376
"774683"	376.203888	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+Na+K"	61.952376
"1669188"	146.052088	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Na+K"	61.952376
"254980"	524.319368	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+ACN+Na"	64.015768
"1230242"	294.167568	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+ACN+Na"	64.015768
"1713781"	294.191093	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+NH4+HCOOH"	64.039293
"1181202"	99.7064846666667	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+3Na"	68.967654
"1655470"	299.146488	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Na+HCOOH"	68.994688
"158318"	537.22264	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+2K-H"	76.91904
"598241"	767.37444	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+2K-H"	76.91904
"1084698"	307.07084	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2K-H"	76.91904
"145039"	269.114958	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"2M+2K"	77.926316
"587157"	384.190858	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"3M+2K"	77.926316
"1069843"	154.039058	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2K"	77.926316
"1109256"	309.085392	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2K+H"	78.933592
"1347832"	309.173007	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+DMSO+H"	79.021207
"1018552"	313.212176	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2ACN+H"	83.060376
"1535583"	314.205808	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+IsoProp+Na+H"	84.054008
"1000940"	157.109726	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+2ACN+2H"	84.067652
"1593254"	315.120428	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+K+HCOOH"	84.968628
"1425478"	345.151938	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+H+CF3COOH"	115.000138
"1160140"	177.623001	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+3ACN+2H"	125.094202
"1709689"	362.178485	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+NH4+CF3COOH"	132.026685
"1640966"	367.13388	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+Na+CF3COOH"	136.98208
"1582085"	383.10782	"C02678"	"Dodecanedioic acid"	"C12H22O4"	"230.1518"	"M+K+CF3COOH"	152.95602
"811357"	200.1776	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M"	0
"978329"	181.15921	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-H2O-H"	-19.01839
"70946"	132.444457333333	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M-3H"	-3.021828
"512694"	199.170324	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M-3H"	-3.021828
"892682"	65.7185906666667	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-3H"	-3.021828
"9069"	199.170324	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M-2H"	-2.014552
"443162"	299.259124	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M-2H"	-2.014552
"823149"	99.081524	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-2H"	-2.014552
"83143"	399.347924	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M-H"	-1.007276
"523797"	599.525524	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M-H"	-1.007276
"897952"	199.170324	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-H"	-1.007276
"49410"	416.374471	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M-2H+NH4"	16.019271
"490063"	616.552071	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M-2H+NH4"	16.019271
"867868"	216.196871	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-2H+NH4"	16.019271
"37228"	421.329866	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M-2H+Na"	20.974666
"475327"	621.507466	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M-2H+Na"	20.974666
"849488"	221.152266	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-2H+Na"	20.974666
"1620847"	221.152266	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Na-2H"	20.974666
"98110"	217.158663	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M-H+Cl"	33.962126
"536575"	317.247463	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M-H+Cl"	33.962126
"931185"	117.069863	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-H+Cl"	33.962126
"267674"	435.324602	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+Cl"	34.969402
"660375"	635.502202	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+Cl"	34.969402
"1274562"	235.147002	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Cl"	34.969402
"20402"	437.303806	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M-2H+K"	36.948606
"455923"	637.481406	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M-2H+K"	36.948606
"833429"	237.126206	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-2H+K"	36.948606
"1555902"	237.126206	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+K-2H"	36.948606
"943664"	245.175794	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-H+HCOOH"	44.998194
"361792"	445.353401	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+HCOOH-H"	44.998201
"351232"	459.369051	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+Hac-H"	59.013851
"1497878"	259.191451	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Hac-H"	59.013851
"965420"	267.157751	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-H+NaCOOH"	66.980151
"118705"	235.147002	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+2Cl"	69.938804
"562642"	335.235802	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+2Cl"	69.938804
"1027066"	135.058202	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2Cl"	69.938804
"1245550"	279.096485	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Br"	78.918885
"1311279"	281.152472	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Cl+HCOOH"	80.974872
"1329870"	303.134429	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Cl+NaCOOH"	102.956829
"920929"	313.163186	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M-H+CF3COOH"	112.985586
"1295449"	349.139864	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Cl+CF3COOH"	148.962264
"1373611"	165.164924	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H-2H2O"	-35.012676
"1392201"	183.1749	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H-H2O"	-17.0027
"297355"	401.362476	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+H"	1.007276
"681030"	601.540076	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+H"	1.007276
"1355189"	201.184876	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H"	1.007276
"131358"	201.184876	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+2H"	2.014552
"574199"	301.273676	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+2H"	2.014552
"1045190"	101.096076	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2H"	2.014552
"210539"	134.459009333333	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+3H"	3.021828
"650465"	201.184876	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+3H"	3.021828
"1172960"	67.7331426666667	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+3H"	3.021828
"432225"	418.389023	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+NH4"	18.033823
"795042"	618.566623	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+NH4"	18.033823
"1689185"	218.211423	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+NH4"	18.033823
"335275"	209.6981495	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+H+NH4"	19.041099
"726975"	309.7869495	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+H+NH4"	19.041099
"1483718"	109.6093495	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H+NH4"	19.041099
"404586"	423.344418	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+Na"	22.989218
"764486"	623.522018	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+Na"	22.989218
"1611490"	223.166818	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Na"	22.989218
"321526"	212.175847	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+H+Na"	23.996494
"709585"	312.264647	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+H+Na"	23.996494
"1466686"	112.087047	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H+Na"	23.996494
"1057745"	75.0604566666667	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2H+Na"	25.00377
"1260517"	233.211086	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+CH3OH+H"	33.033486
"382368"	439.318358	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+K"	38.963158
"745551"	639.495958	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+K"	38.963158
"1545421"	239.140758	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+K"	38.963158
"303688"	220.162817	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+H+K"	39.970434
"700483"	320.251617	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+H+K"	39.970434
"1454304"	120.074017	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H+K"	39.970434
"236710"	442.389026	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+ACN+H"	42.033826
"1211605"	242.211426	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+ACN+H"	42.033826
"1198405"	121.609351	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+ACN+2H"	43.041102
"191269"	445.32636	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+2Na-H"	44.97116
"633024"	645.50396	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+2Na-H"	44.97116
"1133970"	245.14876	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2Na-H"	44.97116
"175206"	223.166818	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+2Na"	45.978436
"619388"	323.255618	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+2Na"	45.978436
"1123990"	123.078018	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2Na"	45.978436
"1404231"	82.3877706666667	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H+2Na"	46.985712
"1436347"	247.190346	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H+HCOOH"	47.012746
"220939"	228.19984	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+3H2O+2H"	56.04448
"1516292"	261.24239	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+IsoProp+H"	61.06479
"410141"	231.153788	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+Na+K"	61.952376
"770577"	331.242588	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+Na+K"	61.952376
"1667841"	131.064988	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Na+K"	61.952376
"254362"	464.370968	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+ACN+Na"	64.015768
"1230352"	264.193368	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+ACN+Na"	64.015768
"1714864"	264.216893	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+NH4+HCOOH"	64.039293
"1182041"	89.7150846666667	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+3Na"	68.967654
"1651933"	269.172288	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Na+HCOOH"	68.994688
"158792"	477.27424	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+2K-H"	76.91904
"600173"	677.45184	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+2K-H"	76.91904
"1085293"	277.09664	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2K-H"	76.91904
"144785"	239.140758	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"2M+2K"	77.926316
"583255"	339.229558	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"3M+2K"	77.926316
"1069589"	139.051958	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2K"	77.926316
"1103169"	279.111192	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2K+H"	78.933592
"1347942"	279.198807	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+DMSO+H"	79.021207
"1020484"	283.237976	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2ACN+H"	83.060376
"1533505"	284.231608	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+IsoProp+Na+H"	84.054008
"1002143"	142.122626	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+2ACN+2H"	84.067652
"1593364"	285.146228	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+K+HCOOH"	84.968628
"1425588"	315.177738	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+H+CF3COOH"	115.000138
"1154781"	162.635901	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+3ACN+2H"	125.094202
"1708706"	332.204285	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+NH4+CF3COOH"	132.026685
"1641076"	337.15968	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+Na+CF3COOH"	136.98208
"1582195"	353.13362	"C02679"	"Dodecanoic acid;Dodecanoate;Dodecylcarboxylate;Lauric acid"	"C12H24O2"	"200.1776"	"M+K+CF3COOH"	152.95602
"814750"	702.5435	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M"	0
"982813"	683.52511	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-H2O-H"	-19.01839
"63564"	467.355057333333	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M-3H"	-3.021828
"505150"	701.536224	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M-3H"	-3.021828
"888416"	233.173890666667	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-3H"	-3.021828
"9180"	701.536224	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M-2H"	-2.014552
"446553"	1052.807974	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M-2H"	-2.014552
"818035"	350.264474	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-2H"	-2.014552
"84345"	1404.079724	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M-H"	-1.007276
"522814"	2106.623224	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M-H"	-1.007276
"896970"	701.536224	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-H"	-1.007276
"49886"	1421.106271	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M-2H+NH4"	16.019271
"490904"	2123.649771	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M-2H+NH4"	16.019271
"867611"	718.562771	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-2H+NH4"	16.019271
"36974"	1426.061666	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M-2H+Na"	20.974666
"472643"	2128.605166	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M-2H+Na"	20.974666
"850326"	723.518166	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-2H+Na"	20.974666
"1619493"	723.518166	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Na-2H"	20.974666
"94349"	719.524563	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M-H+Cl"	33.962126
"534341"	1070.796313	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M-H+Cl"	33.962126
"928377"	368.252813	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-H+Cl"	33.962126
"267654"	1440.056402	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+Cl"	34.969402
"659974"	2142.599902	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+Cl"	34.969402
"1274671"	737.512902	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Cl"	34.969402
"15750"	1442.035606	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M-2H+K"	36.948606
"456790"	2144.579106	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M-2H+K"	36.948606
"832834"	739.492106	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-2H+K"	36.948606
"1555759"	739.492106	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+K-2H"	36.948606
"942875"	747.541694	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-H+HCOOH"	44.998194
"362716"	1450.085201	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+HCOOH-H"	44.998201
"350247"	1464.100851	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+Hac-H"	59.013851
"1497987"	761.557351	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Hac-H"	59.013851
"964434"	769.523651	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-H+NaCOOH"	66.980151
"112253"	737.512902	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+2Cl"	69.938804
"562388"	1088.784652	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+2Cl"	69.938804
"1030457"	386.241152	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2Cl"	69.938804
"1248940"	781.462385	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Br"	78.918885
"1307014"	783.518372	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Cl+HCOOH"	80.974872
"1327792"	805.500329	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Cl+NaCOOH"	102.956829
"922132"	815.529086	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M-H+CF3COOH"	112.985586
"1297746"	851.505764	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Cl+CF3COOH"	148.962264
"1371533"	667.530824	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H-2H2O"	-35.012676
"1389030"	685.5408	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H-H2O"	-17.0027
"290904"	1406.094276	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+H"	1.007276
"678951"	2108.637776	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+H"	1.007276
"1354566"	703.550776	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H"	1.007276
"126726"	703.550776	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+2H"	2.014552
"568840"	1054.822526	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+2H"	2.014552
"1045301"	352.279026	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2H"	2.014552
"211014"	469.369609333333	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+3H"	3.021828
"652758"	703.550776	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+3H"	3.021828
"1171248"	235.188442666667	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+3H"	3.021828
"432336"	1423.120823	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+NH4"	18.033823
"792963"	2125.664323	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+NH4"	18.033823
"1689295"	720.577323	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+NH4"	18.033823
"336479"	712.0640495	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+H+NH4"	19.041099
"725621"	1063.3357995	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+H+NH4"	19.041099
"1481640"	360.7922995	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H+NH4"	19.041099
"401415"	1428.076218	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+Na"	22.989218
"763502"	2130.619718	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+Na"	22.989218
"1605038"	725.532718	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Na"	22.989218
"318356"	714.541747	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+H+Na"	23.996494
"710788"	1065.813497	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+H+Na"	23.996494
"1467889"	363.269997	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H+Na"	23.996494
"1058948"	242.515756666667	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2H+Na"	25.00377
"1265001"	735.576986	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+CH3OH+H"	33.033486
"383572"	1444.050158	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+K"	38.963158
"745661"	2146.593658	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+K"	38.963158
"1544436"	741.506658	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+K"	38.963158
"305983"	722.528717	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+H+K"	39.970434
"702779"	1073.800467	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+H+K"	39.970434
"1450045"	371.256967	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H+K"	39.970434
"239007"	1447.120826	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+ACN+H"	42.033826
"1214632"	744.577326	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+ACN+H"	42.033826
"1197787"	372.792301	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+ACN+2H"	43.041102
"191015"	1450.05816	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+2Na-H"	44.97116
"630217"	2152.60166	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+2Na-H"	44.97116
"1134080"	747.51466	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2Na-H"	44.97116
"175183"	725.532718	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+2Na"	45.978436
"619500"	1076.804468	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+2Na"	45.978436
"1121913"	374.260968	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2Na"	45.978436
"1407623"	249.843070666667	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H+2Na"	46.985712
"1430097"	749.556246	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H+HCOOH"	47.012746
"220233"	730.56574	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+3H2O+2H"	56.04448
"1513124"	763.60829	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+IsoProp+H"	61.06479
"409523"	733.519688	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+Na+K"	61.952376
"770526"	1084.791438	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+Na+K"	61.952376
"1666288"	382.247938	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Na+K"	61.952376
"252042"	1469.102768	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+ACN+Na"	64.015768
"1233742"	766.559268	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+ACN+Na"	64.015768
"1713638"	766.582793	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+NH4+HCOOH"	64.039293
"1182881"	257.170384666667	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+3Na"	68.967654
"1651679"	771.538188	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Na+HCOOH"	68.994688
"161456"	1482.00604	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+2K-H"	76.91904
"597287"	2184.54954	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+2K-H"	76.91904
"1084918"	779.46254	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2K-H"	76.91904
"142261"	741.506658	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"2M+2K"	77.926316
"587378"	1092.778408	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"3M+2K"	77.926316
"1071890"	390.234908	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2K"	77.926316
"1102915"	781.477092	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2K+H"	78.933592
"1348052"	781.564707	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+DMSO+H"	79.021207
"1018773"	785.603876	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2ACN+H"	83.060376
"1531428"	786.597508	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+IsoProp+Na+H"	84.054008
"998971"	393.305576	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+2ACN+2H"	84.067652
"1592380"	787.512128	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+K+HCOOH"	84.968628
"1428982"	817.543638	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+H+CF3COOH"	115.000138
"1159998"	413.818851	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+3ACN+2H"	125.094202
"1709548"	834.570185	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+NH4+CF3COOH"	132.026685
"1646655"	839.52558	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+Na+CF3COOH"	136.98208
"1582305"	855.49952	"C02681"	"Ecdysone palmitate;Ecdysone 3-palmitate"	"C43H74O7"	"702.5435"	"M+K+CF3COOH"	152.95602
"803200"	201.114	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M"	0
"976369"	182.09561	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-H2O-H"	-19.01839
"68986"	133.068724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M-3H"	-3.021828
"512922"	200.106724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M-3H"	-3.021828
"887442"	66.030724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-3H"	-3.021828
"8204"	200.106724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M-2H"	-2.014552
"444483"	300.663724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M-2H"	-2.014552
"819366"	99.549724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-2H"	-2.014552
"80813"	401.220724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M-H"	-1.007276
"529499"	602.334724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M-H"	-1.007276
"902926"	200.106724	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-H"	-1.007276
"48557"	418.247271	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M-2H+NH4"	16.019271
"493585"	619.361271	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M-2H+NH4"	16.019271
"870294"	217.133271	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-2H+NH4"	16.019271
"39287"	423.202666	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M-2H+Na"	20.974666
"477753"	624.316666	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M-2H+Na"	20.974666
"857743"	222.088666	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-2H+Na"	20.974666
"1622901"	222.088666	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Na-2H"	20.974666
"99430"	218.095063	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M-H+Cl"	33.962126
"536071"	318.652063	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M-H+Cl"	33.962126
"928857"	117.538063	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-H+Cl"	33.962126
"268873"	437.197402	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+Cl"	34.969402
"668951"	638.311402	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+Cl"	34.969402
"1287316"	236.083402	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Cl"	34.969402
"30932"	439.176606	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M-2H+K"	36.948606
"470891"	640.290606	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M-2H+K"	36.948606
"847721"	238.062606	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-2H+K"	36.948606
"1571053"	238.062606	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+K-2H"	36.948606
"957398"	246.112194	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-H+HCOOH"	44.998194
"376784"	447.226201	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+HCOOH-H"	44.998201
"361221"	461.241851	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+Hac-H"	59.013851
"1505039"	260.127851	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Hac-H"	59.013851
"971849"	268.094151	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-H+NaCOOH"	66.980151
"124399"	236.083402	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+2Cl"	69.938804
"563961"	336.640402	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+2Cl"	69.938804
"1031667"	135.526402	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2Cl"	69.938804
"1249058"	280.032885	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Br"	78.918885
"1310779"	282.088872	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Cl+HCOOH"	80.974872
"1331193"	304.070829	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Cl+NaCOOH"	102.956829
"915690"	314.099586	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M-H+CF3COOH"	112.985586
"1302243"	350.076264	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Cl+CF3COOH"	148.962264
"1381499"	166.101324	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H-2H2O"	-35.012676
"1391339"	184.1113	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H-H2O"	-17.0027
"292119"	403.235276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+H"	1.007276
"685637"	604.349276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+H"	1.007276
"1358706"	202.121276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H"	1.007276
"138522"	202.121276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+2H"	2.014552
"577355"	302.678276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+2H"	2.014552
"1050891"	101.564276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2H"	2.014552
"213323"	135.083276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+3H"	3.021828
"650698"	202.121276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+3H"	3.021828
"1171014"	68.045276	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+3H"	3.021828
"431008"	420.261823	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+NH4"	18.033823
"790910"	621.375823	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+NH4"	18.033823
"1683960"	219.147823	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+NH4"	18.033823
"336612"	210.6345495	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+H+NH4"	19.041099
"733411"	311.1915495	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+H+NH4"	19.041099
"1491728"	110.0775495	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H+NH4"	19.041099
"404815"	425.217218	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+Na"	22.989218
"767998"	626.331218	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+Na"	22.989218
"1616949"	224.103218	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Na"	22.989218
"327838"	213.112247	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+H+Na"	23.996494
"715277"	313.669247	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+H+Na"	23.996494
"1470191"	112.555247	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H+Na"	23.996494
"1054445"	75.37259	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2H+Na"	25.00377
"1258554"	234.147486	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+CH3OH+H"	33.033486
"377609"	441.191158	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+K"	38.963158
"739213"	642.305158	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+K"	38.963158
"1540902"	240.077158	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+K"	38.963158
"300146"	221.099217	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+H+K"	39.970434
"691959"	321.656217	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+H+K"	39.970434
"1446509"	120.542217	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H+K"	39.970434
"242045"	444.261826	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+ACN+H"	42.033826
"1219132"	243.147826	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+ACN+H"	42.033826
"1200829"	122.077551	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+ACN+2H"	43.041102
"199171"	447.19916	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+2Na-H"	44.97116
"633262"	648.31316	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+2Na-H"	44.97116
"1131401"	246.08516	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2Na-H"	44.97116
"180423"	224.103218	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+2Na"	45.978436
"618890"	324.660218	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+2Na"	45.978436
"1124222"	123.546218	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2Na"	45.978436
"1411026"	82.699904	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H+2Na"	46.985712
"1442777"	248.126746	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H+HCOOH"	47.012746
"231743"	229.13624	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+3H2O+2H"	56.04448
"1519805"	262.17879	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+IsoProp+H"	61.06479
"418398"	232.090188	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+Na+K"	61.952376
"772102"	332.647188	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+Na+K"	61.952376
"1665674"	131.533188	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Na+K"	61.952376
"252766"	466.243768	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+ACN+Na"	64.015768
"1226569"	265.129768	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+ACN+Na"	64.015768
"1713751"	265.153293	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+NH4+HCOOH"	64.039293
"1188106"	90.027218	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+3Na"	68.967654
"1656904"	270.108688	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Na+HCOOH"	68.994688
"169243"	479.14704	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+2K-H"	76.91904
"607350"	680.26104	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+2K-H"	76.91904
"1096963"	278.03304	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2K-H"	76.91904
"152686"	240.077158	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"2M+2K"	77.926316
"592975"	340.634158	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"3M+2K"	77.926316
"1079675"	139.520158	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2K"	77.926316
"1108505"	280.047592	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2K+H"	78.933592
"1337236"	280.135207	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+DMSO+H"	79.021207
"1005881"	284.174376	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2ACN+H"	83.060376
"1531545"	285.168008	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+IsoProp+Na+H"	84.054008
"996901"	142.590826	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+2ACN+2H"	84.067652
"1591405"	286.082628	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+K+HCOOH"	84.968628
"1419251"	316.114138	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+H+CF3COOH"	115.000138
"1158288"	163.104101	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+3ACN+2H"	125.094202
"1707840"	333.140685	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+NH4+CF3COOH"	132.026685
"1647865"	338.09608	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+Na+CF3COOH"	136.98208
"1579140"	354.07002	"C02691"	"Heteropyrithiamine;1-(4-Amino-2-methylpyrimidin-5-yl)methylpyridinium"	"C11H13N4"	"201.114"	"M+K+CF3COOH"	152.95602
"804039"	178.0477	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M"	0
"975381"	159.02931	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"69096"	117.691190666667	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"514125"	177.040424	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"887552"	58.3419573333333	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"8314"	177.040424	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"444593"	266.064274	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"818381"	88.016574	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"79707"	355.088124	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"520862"	533.135824	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"904129"	177.040424	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"53042"	372.114671	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"492601"	550.162371	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"870404"	194.066971	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"38303"	377.070066	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"476769"	555.117766	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"856759"	199.022366	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1623011"	199.022366	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"99540"	195.028763	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"539099"	284.052613	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"930425"	106.004913	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"271169"	391.064802	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"670154"	569.112502	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1286208"	213.017102	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"29493"	393.044006	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"468687"	571.091706	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"847219"	214.996306	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1570713"	214.996306	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"957380"	223.045894	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"376772"	401.093601	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"361020"	415.109251	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1504056"	237.061551	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"966856"	245.027851	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"124509"	213.017102	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"561884"	302.040952	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1030683"	123.993252	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1246980"	256.966585	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1309432"	259.022572	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1330210"	281.004529	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"915799"	291.033286	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1300166"	327.009964	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1380515"	143.035024	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1392908"	161.045	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"291501"	357.102676	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"683194"	535.150376	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1355533"	179.054976	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"138268"	179.054976	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"577462"	268.078826	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1050637"	90.031126	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"213069"	119.705742666667	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"650808"	179.054976	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1171124"	60.3565093333333	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"432211"	374.129223	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"787740"	552.176923	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1684070"	196.081523	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"335629"	187.5682495	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"733521"	276.5920995	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1491714"	98.5443995	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"407114"	379.084618	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"769818"	557.132318	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1617301"	201.036918	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"328435"	190.045947	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"720855"	279.069797	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1472489"	101.022097	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1056986"	67.6838233333333	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1263039"	211.081186	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"379059"	395.058558	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"739694"	573.106258	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1540653"	217.010858	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"303295"	198.032917	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"698632"	287.056767	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1447714"	109.009067	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"242155"	398.129226	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1215962"	220.081526	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1200939"	110.544401	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"199281"	401.06656	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"632279"	579.11426	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1132015"	223.01886	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"180533"	201.036918	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"620823"	290.060768	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1126519"	112.013068	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1411503"	75.0111373333333	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1441793"	225.060446	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"231490"	206.06994	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1515540"	239.11249	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"418508"	209.023888	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"772212"	298.047738	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1666031"	120.000038	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"252876"	420.111168	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1226679"	242.063468	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1714105"	242.086993	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1190401"	82.3384513333333	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1658107"	247.042388	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"168255"	433.01444	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"611103"	611.06214	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1097802"	254.96674	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"153160"	217.010858	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"594907"	306.034708	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1081971"	127.987008	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1104243"	256.981292	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1337711"	257.068907	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1006971"	261.108076	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1526189"	262.101708	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"995918"	131.057676	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1590422"	263.016328	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1421549"	293.047838	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1156212"	151.570951	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1702482"	310.074385	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1647975"	315.02978	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1579250"	331.00372	"C02692"	"Hexose-15-lactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"811805"	174.0793	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M"	0
"976588"	155.06091	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-H2O-H"	-19.01839
"77919"	115.045590666667	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M-3H"	-3.021828
"515328"	173.072024	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M-3H"	-3.021828
"895281"	57.0191573333333	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-3H"	-3.021828
"13894"	173.072024	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M-2H"	-2.014552
"445797"	260.111674	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M-2H"	-2.014552
"818007"	86.032374	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-2H"	-2.014552
"80674"	347.151324	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M-H"	-1.007276
"525346"	521.230624	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M-H"	-1.007276
"903146"	173.072024	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-H"	-1.007276
"49140"	364.177871	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M-2H+NH4"	16.019271
"488215"	538.257171	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M-2H+NH4"	16.019271
"866260"	190.098571	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-2H+NH4"	16.019271
"36227"	369.133266	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M-2H+Na"	20.974666
"480160"	543.212566	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M-2H+Na"	20.974666
"860148"	195.053966	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-2H+Na"	20.974666
"1625308"	195.053966	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Na-2H"	20.974666
"104027"	191.060363	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M-H+Cl"	33.962126
"544679"	278.100013	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M-H+Cl"	33.962126
"937099"	104.020713	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-H+Cl"	33.962126
"279666"	383.128002	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+Cl"	34.969402
"670264"	557.207302	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+Cl"	34.969402
"1285585"	209.048702	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Cl"	34.969402
"31308"	385.107206	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M-2H+K"	36.948606
"469526"	559.186506	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M-2H+K"	36.948606
"848475"	211.027906	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-2H+K"	36.948606
"1571068"	211.027906	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+K-2H"	36.948606
"956153"	219.077494	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-H+HCOOH"	44.998194
"376789"	393.156801	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+HCOOH-H"	44.998201
"361048"	407.172451	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+Hac-H"	59.013851
"1507085"	233.093151	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Hac-H"	59.013851
"969156"	241.059451	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-H+NaCOOH"	66.980151
"118060"	209.048702	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+2Cl"	69.938804
"560902"	296.088352	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+2Cl"	69.938804
"1028607"	122.009052	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2Cl"	69.938804
"1252558"	252.998185	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Br"	78.918885
"1309542"	255.054172	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Cl+HCOOH"	80.974872
"1328125"	277.036129	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Cl+NaCOOH"	102.956829
"915181"	287.064886	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M-H+CF3COOH"	112.985586
"1302098"	323.041564	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Cl+CF3COOH"	148.962264
"1380261"	139.066624	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H-2H2O"	-35.012676
"1393747"	157.0766	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H-H2O"	-17.0027
"291976"	349.165876	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+H"	1.007276
"687679"	523.245176	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+H"	1.007276
"1359653"	175.086576	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H"	1.007276
"139840"	175.086576	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+2H"	2.014552
"575387"	262.126226	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+2H"	2.014552
"1047831"	88.046926	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2H"	2.014552
"215001"	117.060142666667	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+3H"	3.021828
"652011"	175.086576	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+3H"	3.021828
"1173421"	59.0337093333333	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+3H"	3.021828
"433416"	366.192423	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+NH4"	18.033823
"796598"	540.271723	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+NH4"	18.033823
"1690741"	192.113123	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+NH4"	18.033823
"336832"	183.5998495	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+H+NH4"	19.041099
"736548"	270.6394995	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+H+NH4"	19.041099
"1492070"	96.5601995	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H+NH4"	19.041099
"406133"	371.147818	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+Na"	22.989218
"769804"	545.227118	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+Na"	22.989218
"1617902"	197.068518	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Na"	22.989218
"328547"	186.077547	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+H+Na"	23.996494
"722305"	273.117197	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+H+Na"	23.996494
"1472598"	99.037897	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H+Na"	23.996494
"1058190"	66.3610233333333	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2H+Na"	25.00377
"1259870"	207.112786	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+CH3OH+H"	33.033486
"379171"	387.121758	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+K"	38.963158
"742719"	561.201058	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+K"	38.963158
"1543679"	213.042458	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+K"	38.963158
"303041"	194.064517	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+H+K"	39.970434
"693276"	281.104167	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+H+K"	39.970434
"1458770"	107.024867	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H+K"	39.970434
"243358"	390.192426	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+ACN+H"	42.033826
"1216068"	216.113126	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+ACN+H"	42.033826
"1205425"	108.560201	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+ACN+2H"	43.041102
"200850"	393.12976	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+2Na-H"	44.97116
"631296"	567.20906	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+2Na-H"	44.97116
"1136987"	219.05046	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2Na-H"	44.97116
"182466"	197.068518	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+2Na"	45.978436
"620933"	284.108168	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+2Na"	45.978436
"1125536"	110.028868	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2Na"	45.978436
"1410519"	73.6883373333333	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H+2Na"	46.985712
"1442997"	221.092046	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H+HCOOH"	47.012746
"233423"	202.10154	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+3H2O+2H"	56.04448
"1521119"	235.14409	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+IsoProp+H"	61.06479
"421171"	205.055488	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+Na+K"	61.952376
"778519"	292.095138	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+Na+K"	61.952376
"1670474"	118.015838	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Na+K"	61.952376
"252620"	412.174368	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+ACN+Na"	64.015768
"1230799"	238.095068	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+ACN+Na"	64.015768
"1715671"	238.118593	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+NH4+HCOOH"	64.039293
"1188325"	81.0156513333333	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+3Na"	68.967654
"1659310"	243.073988	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Na+HCOOH"	68.994688
"168365"	425.07764	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+2K-H"	76.91904
"608658"	599.15694	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+2K-H"	76.91904
"1092438"	250.99834	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2K-H"	76.91904
"153637"	213.042458	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"2M+2K"	77.926316
"594654"	300.082108	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"3M+2K"	77.926316
"1080260"	126.002808	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2K"	77.926316
"1099937"	253.012892	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2K+H"	78.933592
"1344018"	253.100507	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+DMSO+H"	79.021207
"1011455"	257.139676	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2ACN+H"	83.060376
"1525328"	258.133308	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+IsoProp+Na+H"	84.054008
"993841"	129.073476	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+2ACN+2H"	84.067652
"1598186"	259.047928	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+K+HCOOH"	84.968628
"1418379"	289.079438	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+H+CF3COOH"	115.000138
"1156321"	149.586751	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+3ACN+2H"	125.094202
"1708061"	306.105985	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+NH4+CF3COOH"	132.026685
"1648085"	311.06138	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+Na+CF3COOH"	136.98208
"1579360"	327.03532	"C02693"	"(Indol-3-yl)acetamide;Indole-3-acetamide"	"C10H10N2O"	"174.0793"	"M+K+CF3COOH"	152.95602
"804260"	236.0797	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M"	0
"988368"	217.06131	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-H2O-H"	-19.01839
"73697"	156.379190666667	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M-3H"	-3.021828
"508884"	235.072424	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M-3H"	-3.021828
"885591"	77.6859573333333	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-3H"	-3.021828
"6351"	235.072424	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H"	-2.014552
"445913"	353.112274	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H"	-2.014552
"830648"	117.032574	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-2H"	-2.014552
"88086"	471.152124	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M-H"	-1.007276
"529836"	707.231824	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M-H"	-1.007276
"904357"	235.072424	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-H"	-1.007276
"56545"	488.178671	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H+NH4"	16.019271
"496834"	724.258371	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H+NH4"	16.019271
"874999"	252.098971	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-2H+NH4"	16.019271
"45818"	493.134066	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H+Na"	20.974666
"483556"	729.213766	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H+Na"	20.974666
"859534"	257.054366	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-2H+Na"	20.974666
"1630161"	257.054366	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Na-2H"	20.974666
"104136"	253.060763	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M-H+Cl"	33.962126
"542602"	371.100613	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M-H+Cl"	33.962126
"931742"	135.020913	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-H+Cl"	33.962126
"282798"	507.128802	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+Cl"	34.969402
"675546"	743.208502	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+Cl"	34.969402
"1288447"	271.049102	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl"	34.969402
"31373"	509.108006	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H+K"	36.948606
"471360"	745.187706	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H+K"	36.948606
"845253"	273.028306	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-2H+K"	36.948606
"1568376"	273.028306	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+K-2H"	36.948606
"953708"	281.077894	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-H+HCOOH"	44.998194
"373749"	517.157601	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+HCOOH-H"	44.998201
"359820"	531.173251	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+Hac-H"	59.013851
"1500631"	295.093551	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Hac-H"	59.013851
"965253"	303.059851	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-H+NaCOOH"	66.980151
"115985"	271.049102	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+2Cl"	69.938804
"557729"	389.088952	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+2Cl"	69.938804
"1028722"	153.009252	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2Cl"	69.938804
"1254134"	314.998585	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Br"	78.918885
"1319505"	317.054572	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl+HCOOH"	80.974872
"1334087"	339.036529	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl+NaCOOH"	102.956829
"926849"	349.065286	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M-H+CF3COOH"	112.985586
"1298202"	385.041964	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl+CF3COOH"	148.962264
"1372355"	201.067024	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H-2H2O"	-35.012676
"1393862"	219.077	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H-H2O"	-17.0027
"292454"	473.166676	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+H"	1.007276
"690347"	709.246376	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+H"	1.007276
"1365601"	237.086976	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H"	1.007276
"140191"	237.086976	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+2H"	2.014552
"576590"	355.126826	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+2H"	2.014552
"1040287"	119.047126	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2H"	2.014552
"211473"	158.393742666667	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+3H"	3.021828
"656503"	237.086976	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+3H"	3.021828
"1169160"	79.7005093333333	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+3H"	3.021828
"431339"	490.193223	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+NH4"	18.033823
"797803"	726.272923	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+NH4"	18.033823
"1691946"	254.113523	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+NH4"	18.033823
"340226"	245.6002495	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+H+NH4"	19.041099
"731553"	363.6400995	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+H+NH4"	19.041099
"1490840"	127.5603995	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H+NH4"	19.041099
"401869"	495.148618	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+Na"	22.989218
"760677"	731.228318	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+Na"	22.989218
"1609868"	259.068918	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Na"	22.989218
"325372"	248.077947	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+H+Na"	23.996494
"710143"	366.117797	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+H+Na"	23.996494
"1462137"	130.038097	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H+Na"	23.996494
"1053560"	87.0278233333333	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2H+Na"	25.00377
"1258152"	269.113186	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+CH3OH+H"	33.033486
"380376"	511.122558	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+K"	38.963158
"739552"	747.202258	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+K"	38.963158
"1545982"	275.042858	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+K"	38.963158
"305345"	256.064917	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+H+K"	39.970434
"698866"	374.104767	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+H+K"	39.970434
"1452688"	138.025067	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H+K"	39.970434
"242381"	514.193226	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+ACN+H"	42.033826
"1221652"	278.113526	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+ACN+H"	42.033826
"1203348"	139.560401	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+ACN+2H"	43.041102
"195123"	517.13056	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+2Na-H"	44.97116
"631406"	753.21026	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+2Na-H"	44.97116
"1141845"	281.05086	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2Na-H"	44.97116
"182583"	259.068918	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+2Na"	45.978436
"625423"	377.108768	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+2Na"	45.978436
"1123461"	141.029068	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2Na"	45.978436
"1400179"	94.3551373333333	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H+2Na"	46.985712
"1442746"	283.092446	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H+HCOOH"	47.012746
"232076"	264.10194	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+3H2O+2H"	56.04448
"1515763"	297.14449	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+IsoProp+H"	61.06479
"416542"	267.055888	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+Na+K"	61.952376
"775350"	385.095738	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+Na+K"	61.952376
"1670589"	149.016038	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Na+K"	61.952376
"257110"	536.175168	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+ACN+Na"	64.015768
"1240030"	300.095468	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+ACN+Na"	64.015768
"1726731"	300.118993	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+NH4+HCOOH"	64.039293
"1191368"	101.682451333333	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+3Na"	68.967654
"1663082"	305.074388	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Na+HCOOH"	68.994688
"170306"	549.07844	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+2K-H"	76.91904
"609865"	785.15814	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+2K-H"	76.91904
"1097294"	312.99874	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2K-H"	76.91904
"153746"	275.042858	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"2M+2K"	77.926316
"590024"	393.082708	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"3M+2K"	77.926316
"1072349"	157.003008	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2K"	77.926316
"1109930"	315.013292	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2K+H"	78.933592
"1340849"	315.100907	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+DMSO+H"	79.021207
"1006825"	319.140076	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2ACN+H"	83.060376
"1528599"	320.133708	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+IsoProp+Na+H"	84.054008
"996139"	160.073676	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+2ACN+2H"	84.067652
"1590644"	321.048328	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+K+HCOOH"	84.968628
"1417398"	351.079838	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+H+CF3COOH"	115.000138
"1148051"	180.586951	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+3ACN+2H"	125.094202
"1702706"	368.106385	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+NH4+CF3COOH"	132.026685
"1641636"	373.06178	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+Na+CF3COOH"	136.98208
"1582753"	389.03572	"C02700"	"L-Formylkynurenine;N-Formyl-L-kynurenine;N-Formylkynurenine"	"C11H12N2O4"	"236.0797"	"M+K+CF3COOH"	152.95602
"806558"	184.9994	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M"	0
"984471"	165.98101	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-H2O-H"	-19.01839
"73807"	122.325657333333	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M-3H"	-3.021828
"511181"	183.992124	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M-3H"	-3.021828
"886795"	60.6591906666667	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-3H"	-3.021828
"998"	183.992124	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M-2H"	-2.014552
"454415"	276.491824	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M-2H"	-2.014552
"828936"	91.492424	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-2H"	-2.014552
"89290"	368.991524	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M-H"	-1.007276
"526665"	553.990924	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M-H"	-1.007276
"904467"	183.992124	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-H"	-1.007276
"59207"	386.018071	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M-2H+NH4"	16.019271
"498767"	571.017471	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M-2H+NH4"	16.019271
"876568"	201.018671	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-2H+NH4"	16.019271
"44833"	390.973466	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M-2H+Na"	20.974666
"485124"	575.972866	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M-2H+Na"	20.974666
"858551"	205.974066	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-2H+Na"	20.974666
"1629542"	205.974066	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Na-2H"	20.974666
"103155"	201.980463	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M-H+Cl"	33.962126
"546360"	294.480163	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M-H+Cl"	33.962126
"941825"	109.480763	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-H+Cl"	33.962126
"282205"	404.968202	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+Cl"	34.969402
"675402"	589.967602	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+Cl"	34.969402
"1287755"	219.968802	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Cl"	34.969402
"30799"	406.947406	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M-2H+K"	36.948606
"469387"	591.946806	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M-2H+K"	36.948606
"846824"	221.948006	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-2H+K"	36.948606
"1570312"	221.948006	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+K-2H"	36.948606
"956372"	229.997594	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-H+HCOOH"	44.998194
"376778"	414.997001	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+HCOOH-H"	44.998201
"360173"	429.012651	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+Hac-H"	59.013851
"1499646"	244.013251	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Hac-H"	59.013851
"966093"	251.979551	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-H+NaCOOH"	66.980151
"116822"	219.968802	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+2Cl"	69.938804
"556383"	312.468502	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+2Cl"	69.938804
"1032842"	127.469102	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2Cl"	69.938804
"1256072"	263.918285	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Br"	78.918885
"1318158"	265.974272	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Cl+HCOOH"	80.974872
"1335287"	287.956229	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Cl+NaCOOH"	102.956829
"923792"	297.984986	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M-H+CF3COOH"	112.985586
"1299406"	333.961664	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Cl+CF3COOH"	148.962264
"1374289"	149.986724	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H-2H2O"	-35.012676
"1390691"	167.9967	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H-H2O"	-17.0027
"291472"	371.006076	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+H"	1.007276
"689363"	556.005476	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+H"	1.007276
"1364617"	186.006676	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H"	1.007276
"139328"	186.006676	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+2H"	2.014552
"568319"	278.506376	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+2H"	2.014552
"1049153"	93.506976	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2H"	2.014552
"214868"	124.340209333333	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+3H"	3.021828
"654428"	186.006676	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+3H"	3.021828
"1172553"	62.6737426666667	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+3H"	3.021828
"434733"	388.032623	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+NH4"	18.033823
"796823"	573.032023	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+NH4"	18.033823
"1687687"	203.033223	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+NH4"	18.033823
"337058"	194.5199495	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+H+NH4"	19.041099
"733851"	287.0196495	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+H+NH4"	19.041099
"1483300"	102.0202495	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H+NH4"	19.041099
"396147"	392.988018	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+Na"	22.989218
"758599"	577.987418	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+Na"	22.989218
"1613257"	207.988618	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Na"	22.989218
"320019"	196.997647	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+H+Na"	23.996494
"708425"	289.497347	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+H+Na"	23.996494
"1461882"	104.497947	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H+Na"	23.996494
"1053669"	70.0010566666667	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2H+Na"	25.00377
"1260088"	218.032886	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+CH3OH+H"	33.033486
"377563"	408.961958	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+K"	38.963158
"739297"	593.961358	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+K"	38.963158
"1546092"	223.962558	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+K"	38.963158
"312391"	204.984617	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+H+K"	39.970434
"702990"	297.484317	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+H+K"	39.970434
"1453892"	112.484917	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H+K"	39.970434
"243584"	412.032626	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+ACN+H"	42.033826
"1222129"	227.033226	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+ACN+H"	42.033826
"1203459"	114.020251	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+ACN+2H"	43.041102
"201438"	414.96996	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+2Na-H"	44.97116
"640637"	599.96936	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+2Na-H"	44.97116
"1138309"	229.97056	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2Na-H"	44.97116
"180505"	207.988618	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+2Na"	45.978436
"618973"	300.488318	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+2Na"	45.978436
"1120291"	115.488918	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2Na"	45.978436
"1402721"	77.3283706666667	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H+2Na"	46.985712
"1444679"	232.012146	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H+HCOOH"	47.012746
"231457"	213.02164	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+3H2O+2H"	56.04448
"1515873"	246.06419	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+IsoProp+H"	61.06479
"415560"	215.975588	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+Na+K"	61.952376
"777651"	308.475288	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+Na+K"	61.952376
"1679451"	123.475888	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Na+K"	61.952376
"262697"	434.014568	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+ACN+Na"	64.015768
"1239417"	249.015168	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+ACN+Na"	64.015768
"1727703"	249.038693	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+NH4+HCOOH"	64.039293
"1192206"	84.6556846666667	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+3Na"	68.967654
"1664164"	253.994088	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Na+HCOOH"	68.994688
"170417"	446.91784	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+2K-H"	76.91904
"610706"	631.91724	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+2K-H"	76.91904
"1097039"	261.91844	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2K-H"	76.91904
"154951"	223.962558	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"2M+2K"	77.926316
"591227"	316.462258	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"3M+2K"	77.926316
"1073550"	131.462858	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2K"	77.926316
"1102508"	263.932992	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2K+H"	78.933592
"1337801"	264.020607	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+DMSO+H"	79.021207
"1007423"	268.059776	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2ACN+H"	83.060376
"1526522"	269.053408	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+IsoProp+Na+H"	84.054008
"992969"	134.533526	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+2ACN+2H"	84.067652
"1589660"	269.968028	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+K+HCOOH"	84.968628
"1417508"	299.999538	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+H+CF3COOH"	115.000138
"1148280"	155.046801	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+3ACN+2H"	125.094202
"1705002"	317.026085	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+NH4+CF3COOH"	132.026685
"1641746"	321.98148	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+Na+CF3COOH"	136.98208
"1582864"	337.95542	"C02703"	"L-Serine O-sulfate"	"C3H7NO6S"	"184.9994"	"M+K+CF3COOH"	152.95602
"806668"	111.983	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M"	0
"984580"	92.96461	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-H2O-H"	-19.01839
"69542"	73.6480573333333	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M-3H"	-3.021828
"512384"	110.975724	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M-3H"	-3.021828
"890185"	36.3203906666667	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-3H"	-3.021828
"1108"	110.975724	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M-2H"	-2.014552
"447234"	166.967224	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M-2H"	-2.014552
"829774"	54.984224	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-2H"	-2.014552
"90859"	222.958724	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M-H"	-1.007276
"529327"	334.941724	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M-H"	-1.007276
"907493"	110.975724	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-H"	-1.007276
"61140"	239.985271	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M-2H+NH4"	16.019271
"499606"	351.968271	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M-2H+NH4"	16.019271
"871939"	128.002271	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-2H+NH4"	16.019271
"42392"	244.940666	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M-2H+Na"	20.974666
"483410"	356.923666	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M-2H+Na"	20.974666
"857201"	132.957666	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-2H+Na"	20.974666
"1626736"	132.957666	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Na-2H"	20.974666
"105817"	128.964063	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M-H+Cl"	33.962126
"547565"	184.955563	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M-H+Cl"	33.962126
"940720"	72.972563	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-H+Cl"	33.962126
"282277"	258.935402	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+Cl"	34.969402
"674739"	370.918402	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+Cl"	34.969402
"1287953"	146.952402	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Cl"	34.969402
"26656"	260.914606	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M-2H+K"	36.948606
"466579"	372.897606	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M-2H+K"	36.948606
"845112"	148.931606	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-2H+K"	36.948606
"1566047"	148.931606	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+K-2H"	36.948606
"955025"	156.981194	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-H+HCOOH"	44.998194
"372147"	268.964201	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+HCOOH-H"	44.998201
"358582"	282.979851	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+Hac-H"	59.013851
"1503039"	170.996851	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Hac-H"	59.013851
"967299"	178.963151	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-H+NaCOOH"	66.980151
"116569"	146.952402	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+2Cl"	69.938804
"562699"	202.943902	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+2Cl"	69.938804
"1032961"	90.960902	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2Cl"	69.938804
"1252174"	190.901885	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Br"	78.918885
"1312070"	192.957872	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Cl+HCOOH"	80.974872
"1328472"	214.939829	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Cl+NaCOOH"	102.956829
"926333"	224.968586	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M-H+CF3COOH"	112.985586
"1299517"	260.945264	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Cl+CF3COOH"	148.962264
"1377679"	76.970324	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H-2H2O"	-35.012676
"1390801"	94.9803	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H-H2O"	-17.0027
"292674"	224.973276	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+H"	1.007276
"689473"	336.956276	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+H"	1.007276
"1365821"	112.990276	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H"	1.007276
"136520"	112.990276	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+2H"	2.014552
"568429"	168.981776	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+2H"	2.014552
"1047077"	56.998776	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2H"	2.014552
"216071"	75.6626093333333	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+3H"	3.021828
"654538"	112.990276	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+3H"	3.021828
"1171568"	38.3349426666667	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+3H"	3.021828
"433750"	241.999823	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+NH4"	18.033823
"796933"	353.982823	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+NH4"	18.033823
"1687797"	130.016823	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+NH4"	18.033823
"334252"	121.5035495	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+H+NH4"	19.041099
"732869"	177.4950495	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+H+NH4"	19.041099
"1478306"	65.5120495	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H+NH4"	19.041099
"394797"	246.955218	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+Na"	22.989218
"755426"	358.938218	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+Na"	22.989218
"1610088"	134.972218	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Na"	22.989218
"316848"	123.981247	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+H+Na"	23.996494
"708900"	179.972747	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+H+Na"	23.996494
"1464543"	67.989747	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H+Na"	23.996494
"1054510"	45.6622566666667	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2H+Na"	25.00377
"1259833"	145.016486	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+CH3OH+H"	33.033486
"378041"	262.929158	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+K"	38.963158
"739325"	374.912158	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+K"	38.963158
"1546202"	150.946158	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+K"	38.963158
"312136"	131.968217	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+H+K"	39.970434
"703099"	187.959717	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+H+K"	39.970434
"1452909"	75.976717	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H+K"	39.970434
"243694"	265.999826	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+ACN+H"	42.033826
"1221510"	154.016826	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+ACN+H"	42.033826
"1203569"	77.512051	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+ACN+2H"	43.041102
"201183"	268.93716	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+2Na-H"	44.97116
"639652"	380.92016	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+2Na-H"	44.97116
"1135139"	156.95416	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2Na-H"	44.97116
"176242"	134.972218	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+2Na"	45.978436
"621270"	190.963718	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+2Na"	45.978436
"1121495"	78.980718	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2Na"	45.978436
"1406112"	52.9895706666667	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H+2Na"	46.985712
"1444790"	158.995746	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H+HCOOH"	47.012746
"233024"	140.00524	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+3H2O+2H"	56.04448
"1515983"	173.04779	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+IsoProp+H"	61.06479
"412390"	142.959188	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+Na+K"	61.952376
"777761"	198.950688	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+Na+K"	61.952376
"1677739"	86.967688	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Na+K"	61.952376
"264263"	287.981768	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+ACN+Na"	64.015768
"1233325"	175.998768	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+ACN+Na"	64.015768
"1727327"	176.022293	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+NH4+HCOOH"	64.039293
"1191952"	60.3168846666667	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+3Na"	68.967654
"1662938"	180.977688	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Na+HCOOH"	68.994688
"169432"	300.88504	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+2K-H"	76.91904
"610084"	412.86804	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+2K-H"	76.91904
"1098489"	188.90204	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2K-H"	76.91904
"155062"	150.946158	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"2M+2K"	77.926316
"590244"	206.937658	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"3M+2K"	77.926316
"1073660"	94.954658	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2K"	77.926316
"1104684"	190.916592	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2K+H"	78.933592
"1341069"	191.004207	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+DMSO+H"	79.021207
"1007533"	195.043376	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2ACN+H"	83.060376
"1528818"	196.037008	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+IsoProp+Na+H"	84.054008
"994172"	98.025326	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+2ACN+2H"	84.067652
"1590863"	196.951628	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+K+HCOOH"	84.968628
"1417617"	226.983138	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+H+CF3COOH"	115.000138
"1150092"	118.538601	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+3ACN+2H"	125.094202
"1705112"	244.009685	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+NH4+CF3COOH"	132.026685
"1645136"	248.96508	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+Na+CF3COOH"	136.98208
"1582974"	264.93902	"C02704"	"Monomethyl sulfate;Methyl sulfate"	"CH4O4S"	"111.983"	"M+K+CF3COOH"	152.95602
"815168"	151.0633	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M"	0
"984691"	132.04491	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"70746"	99.7015906666667	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"509213"	150.056024	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"885925"	49.3471573333333	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"8876"	150.056024	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"452082"	225.587674	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"829884"	74.524374	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"92062"	301.119324	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"533573"	452.182624	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"910402"	150.056024	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"61009"	318.145871	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"500569"	469.209171	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"878616"	167.082571	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"44812"	323.101266	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"482790"	474.164566	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"862296"	172.037966	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1630855"	172.037966	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"108850"	168.044363	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"549261"	243.576013	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"942297"	92.512713	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"281699"	337.096002	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"674484"	488.159302	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1284210"	186.032702	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"27861"	339.075206	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"467423"	490.138506	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"839756"	188.011906	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1567254"	188.011906	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"956477"	196.061494	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"370435"	347.124801	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"353226"	361.140451	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1500966"	210.077151	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"970696"	218.043451	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"121791"	186.032702	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"563177"	261.564352	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1033070"	110.501052	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1253377"	229.982185	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1316918"	232.038172	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1334293"	254.020129	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"924014"	264.048886	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1299627"	300.025564	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1380950"	116.050624	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1389820"	134.0606	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"291695"	303.133876	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"686303"	454.197176	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1356093"	152.070576	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"133356"	152.070576	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"579480"	227.602226	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1050468"	76.538926	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"216181"	101.716142666667	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"657931"	152.070576	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1176786"	51.3617093333333	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"433860"	320.160423	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"799229"	471.223723	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1694466"	169.097123	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"339463"	160.5838495	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"729699"	236.1154995	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1485705"	85.0521995	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"394539"	325.115818	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"764290"	476.179118	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1610206"	174.052518	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"318053"	163.061547	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"708403"	238.593197	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1463565"	87.529897	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1066295"	58.6890233333333	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1270164"	184.096786	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"389470"	341.089758	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"754001"	492.153058	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1555084"	190.026458	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"313921"	171.048517	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"705886"	246.580167	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1456300"	95.516867	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"249767"	344.160426	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1224909"	193.097126	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1202591"	97.052201	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"197652"	347.09776	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"643290"	498.16106	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1137437"	196.03446	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"184008"	174.052518	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"624662"	249.584168	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1125980"	98.520868	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1410596"	66.0163373333333	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1442714"	198.076046	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"232415"	179.08554	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1522303"	212.12809	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"421259"	182.039488	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"784814"	257.571138	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1677136"	106.507838	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"262559"	366.142368	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1236727"	215.079068	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1725614"	215.102593	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1190605"	73.3436513333333	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1661954"	220.057988	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"168086"	379.04564	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"610564"	530.10894	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1098357"	227.98234	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"154079"	190.026458	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"593639"	265.558108	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1082161"	114.494808	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1109536"	229.996892	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1346648"	230.084507	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1014448"	234.123676	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1530021"	235.117308	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"996470"	117.565476	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1593160"	236.031928	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1423194"	266.063438	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1160044"	138.078751	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1710689"	283.089985	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1645246"	288.04538	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1583087"	304.01932	"C02709"	"N-(Acetyloxy)benzenamine"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"803611"	173.1052	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M"	0
"980425"	154.08681	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-H2O-H"	-19.01839
"67576"	114.396190666667	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M-3H"	-3.021828
"506042"	172.097924	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M-3H"	-3.021828
"884937"	56.6944573333333	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-3H"	-3.021828
"3516"	172.097924	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M-2H"	-2.014552
"446358"	258.650524	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M-2H"	-2.014552
"825254"	85.545324	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-2H"	-2.014552
"87432"	345.203124	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M-H"	-1.007276
"522618"	518.308324	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M-H"	-1.007276
"909536"	172.097924	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-H"	-1.007276
"58076"	362.229671	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M-2H+NH4"	16.019271
"493262"	535.334871	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M-2H+NH4"	16.019271
"876533"	189.124471	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-2H+NH4"	16.019271
"45526"	367.185066	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M-2H+Na"	20.974666
"480713"	540.290266	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M-2H+Na"	20.974666
"861798"	194.079866	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-2H+Na"	20.974666
"1630236"	194.079866	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Na-2H"	20.974666
"108960"	190.086263	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M-H+Cl"	33.962126
"548643"	276.638863	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M-H+Cl"	33.962126
"941190"	103.533663	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-H+Cl"	33.962126
"281326"	381.179802	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+Cl"	34.969402
"674473"	554.285002	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+Cl"	34.969402
"1285050"	208.074602	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Cl"	34.969402
"27971"	383.159006	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M-2H+K"	36.948606
"467533"	556.264206	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M-2H+K"	36.948606
"842053"	210.053806	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-2H+K"	36.948606
"1566635"	210.053806	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+K-2H"	36.948606
"956341"	218.103394	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-H+HCOOH"	44.998194
"372733"	391.208601	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+HCOOH-H"	44.998201
"352243"	405.224251	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+Hac-H"	59.013851
"1501076"	232.119051	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Hac-H"	59.013851
"969348"	240.085351	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-H+NaCOOH"	66.980151
"121901"	208.074602	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+2Cl"	69.938804
"563652"	294.627202	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+2Cl"	69.938804
"1034273"	121.522002	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2Cl"	69.938804
"1253851"	252.024085	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Br"	78.918885
"1319784"	254.080072	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Cl+HCOOH"	80.974872
"1335592"	276.062029	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Cl+NaCOOH"	102.956829
"925581"	286.090786	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M-H+CF3COOH"	112.985586
"1303627"	322.067464	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Cl+CF3COOH"	148.962264
"1378993"	138.092524	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H-2H2O"	-35.012676
"1391023"	156.1025	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H-H2O"	-17.0027
"293992"	347.217676	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+H"	1.007276
"686413"	520.322876	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+H"	1.007276
"1355474"	174.112476	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H"	1.007276
"130186"	174.112476	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+2H"	2.014552
"577403"	260.665076	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+2H"	2.014552
"1047298"	87.559876	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2H"	2.014552
"211917"	116.410742666667	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+3H"	3.021828
"650748"	174.112476	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+3H"	3.021828
"1171790"	58.7090093333333	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+3H"	3.021828
"432874"	364.244223	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+NH4"	18.033823
"796059"	537.349423	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+NH4"	18.033823
"1692389"	191.139023	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+NH4"	18.033823
"341758"	182.6257495	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+H+NH4"	19.041099
"733087"	269.1783495	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+H+NH4"	19.041099
"1482898"	96.0731495	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H+NH4"	19.041099
"393922"	369.199618	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+Na"	22.989218
"756011"	542.304818	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+Na"	22.989218
"1607757"	196.094418	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Na"	22.989218
"316332"	185.103447	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+H+Na"	23.996494
"708758"	271.656047	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+H+Na"	23.996494
"1463674"	98.550847	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H+Na"	23.996494
"1065312"	66.0363233333333	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2H+Na"	25.00377
"1269546"	206.138686	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+CH3OH+H"	33.033486
"389580"	385.173558	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+K"	38.963158
"753870"	558.278758	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+K"	38.963158
"1555317"	212.068358	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+K"	38.963158
"313948"	193.090417	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+H+K"	39.970434
"705510"	279.643017	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+H+K"	39.970434
"1456410"	106.537817	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H+K"	39.970434
"249024"	388.244226	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+ACN+H"	42.033826
"1223195"	215.139026	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+ACN+H"	42.033826
"1200514"	108.073151	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+ACN+2H"	43.041102
"198855"	391.18156	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+2Na-H"	44.97116
"642792"	564.28676	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+2Na-H"	44.97116
"1137547"	218.07636	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2Na-H"	44.97116
"183024"	196.094418	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+2Na"	45.978436
"625865"	282.647018	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+2Na"	45.978436
"1126090"	109.541818	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2Na"	45.978436
"1410706"	73.3636373333333	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H+2Na"	46.985712
"1443189"	220.117946	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H+HCOOH"	47.012746
"233618"	201.12744	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+3H2O+2H"	56.04448
"1522777"	234.16999	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+IsoProp+H"	61.06479
"421735"	204.081388	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+Na+K"	61.952376
"785290"	290.633988	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+Na+K"	61.952376
"1678339"	117.528788	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Na+K"	61.952376
"264129"	410.226168	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+ACN+Na"	64.015768
"1237203"	237.120968	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+ACN+Na"	64.015768
"1724630"	237.144493	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+NH4+HCOOH"	64.039293
"1188528"	80.6909513333333	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+3Na"	68.967654
"1661335"	242.099888	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Na+HCOOH"	68.994688
"168925"	423.12944	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+2K-H"	76.91904
"611402"	596.23464	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+2K-H"	76.91904
"1097373"	250.02424	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2K-H"	76.91904
"155406"	212.068358	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"2M+2K"	77.926316
"594112"	298.620958	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"3M+2K"	77.926316
"1082514"	125.515758	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2K"	77.926316
"1109646"	252.038792	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2K+H"	78.933592
"1347122"	252.126407	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+DMSO+H"	79.021207
"1014922"	256.165576	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2ACN+H"	83.060376
"1530131"	257.159208	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+IsoProp+Na+H"	84.054008
"997673"	128.586426	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+2ACN+2H"	84.067652
"1594363"	258.073828	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+K+HCOOH"	84.968628
"1423304"	288.105338	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+H+CF3COOH"	115.000138
"1160520"	149.099701	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+3ACN+2H"	125.094202
"1711530"	305.131885	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+NH4+CF3COOH"	132.026685
"1645356"	310.08728	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+Na+CF3COOH"	136.98208
"1583197"	326.06122	"C02710"	"N-Acetyl-L-leucine"	"C8H15NO3"	"173.1052"	"M+K+CF3COOH"	152.95602
"813562"	221.0899	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M"	0
"987097"	202.07151	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"75342"	146.385990666667	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"515994"	220.082624	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"891608"	72.6893573333333	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"5816"	220.082624	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"450843"	330.627574	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"824271"	109.537674	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"84262"	441.172524	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"523822"	662.262424	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"909525"	220.082624	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"58186"	458.199071	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"493372"	679.288971	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"872268"	237.109171	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"45272"	463.154466	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"483010"	684.244366	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"862759"	242.064566	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1630346"	242.064566	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"109599"	238.070963	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"549444"	348.615913	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"942436"	127.526013	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"282489"	477.149202	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"675272"	698.239102	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1288039"	256.059302	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"31168"	479.128406	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"470560"	700.218306	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"844350"	258.038506	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1570027"	258.038506	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"957789"	266.088094	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"375031"	487.178001	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"358186"	501.193651	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1501916"	280.103751	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"969458"	288.070051	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"124199"	256.059302	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"560484"	366.604252	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1032926"	145.514352	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1254692"	300.008785	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1319326"	302.064772	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1335469"	324.046729	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"926669"	334.075486	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1304123"	370.052164	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1374728"	186.077224	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1397331"	204.0872	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"295196"	443.187076	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"685430"	664.276976	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1355220"	222.097176	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"137950"	222.097176	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"577516"	332.642126	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1049595"	111.552226	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"214215"	148.400542666667	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"657055"	222.097176	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1170807"	74.7039093333333	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"430069"	460.213623	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"793982"	681.303523	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1691405"	239.123723	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"334580"	230.6104495	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"727731"	341.1553995	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1481914"	120.0654995	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"394398"	465.169018	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"756851"	686.258918	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1607503"	244.079118	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"317538"	233.088147	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"710691"	343.633097	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1463784"	122.543197	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1054112"	82.0312233333333	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1270383"	254.123386	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"388957"	481.142958	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"753854"	702.232858	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1555424"	260.053058	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"314103"	241.075117	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"705617"	351.620067	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1455426"	130.530167	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"247309"	484.213626	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1220752"	263.123726	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1206089"	132.065501	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"192403"	487.15096	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"635244"	708.24086	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1136563"	266.06106	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"178030"	244.079118	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"619414"	354.624068	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1127292"	133.534168	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1407535"	89.3585373333333	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1443663"	268.102646	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"234093"	249.11214	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1522523"	282.15469	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"420752"	252.066088	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"783579"	362.611038	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1680275"	141.521138	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"265337"	506.195568	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1238773"	285.105668	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1727297"	285.129193	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1193261"	96.6858513333333	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1665338"	290.084588	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"172317"	519.09884	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"611393"	740.18874	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1098701"	298.00894	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"156812"	260.053058	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"595195"	370.598008	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1083109"	149.508108	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1110849"	300.023492	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1347960"	300.111107	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1012116"	304.150276	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1532427"	305.143908	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"997783"	152.578776	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1595566"	306.058528	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1424507"	336.090038	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1156984"	173.092051	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1710545"	353.116585	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1645466"	358.07198	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1583307"	374.04592	"C02711"	"N-Acetylhexosamine"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"803831"	191.0616	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M"	0
"980645"	172.04321	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-H2O-H"	-19.01839
"65609"	126.367124	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M-3H"	-3.021828
"504076"	190.054324	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M-3H"	-3.021828
"881877"	62.679924	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-3H"	-3.021828
"3738"	190.054324	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M-2H"	-2.014552
"450953"	285.585124	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M-2H"	-2.014552
"824381"	94.523524	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-2H"	-2.014552
"82185"	381.115924	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M-H"	-1.007276
"527212"	572.177524	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M-H"	-1.007276
"905016"	190.054324	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-H"	-1.007276
"52829"	398.142471	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M-2H+NH4"	16.019271
"491295"	589.204071	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M-2H+NH4"	16.019271
"869098"	207.080871	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-2H+NH4"	16.019271
"40279"	403.097866	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M-2H+Na"	20.974666
"479840"	594.159466	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M-2H+Na"	20.974666
"860924"	212.036266	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-2H+Na"	20.974666
"1628269"	212.036266	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Na-2H"	20.974666
"109265"	208.042663	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M-H+Cl"	33.962126
"549106"	303.573463	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M-H+Cl"	33.962126
"941894"	112.511863	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-H+Cl"	33.962126
"282031"	417.092602	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+Cl"	34.969402
"674690"	608.154202	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+Cl"	34.969402
"1287092"	226.031002	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Cl"	34.969402
"31077"	419.071806	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M-2H+K"	36.948606
"467388"	610.133406	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M-2H+K"	36.948606
"847012"	228.010206	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-2H+K"	36.948606
"1569042"	228.010206	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+K-2H"	36.948606
"956562"	236.059794	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-H+HCOOH"	44.998194
"376599"	427.121401	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+HCOOH-H"	44.998201
"356473"	441.137051	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+Hac-H"	59.013851
"1504213"	250.075451	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Hac-H"	59.013851
"965559"	258.041751	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-H+NaCOOH"	66.980151
"122121"	226.031002	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+2Cl"	69.938804
"563872"	321.561802	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+2Cl"	69.938804
"1034858"	130.500202	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2Cl"	69.938804
"1256745"	269.980485	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Br"	78.918885
"1319314"	272.036472	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Cl+HCOOH"	80.974872
"1334995"	294.018429	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Cl+NaCOOH"	102.956829
"926046"	304.047186	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M-H+CF3COOH"	112.985586
"1303892"	340.023864	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Cl+CF3COOH"	148.962264
"1374838"	156.048924	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H-2H2O"	-35.012676
"1397442"	174.0589	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H-H2O"	-17.0027
"295306"	383.130476	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+H"	1.007276
"689913"	574.192076	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+H"	1.007276
"1354237"	192.068876	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H"	1.007276
"139153"	192.068876	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+2H"	2.014552
"578720"	287.599676	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+2H"	2.014552
"1048612"	96.538076	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2H"	2.014552
"215419"	128.381676	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+3H"	3.021828
"656072"	192.068876	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+3H"	3.021828
"1174197"	64.694476	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+3H"	3.021828
"430179"	400.157023	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+NH4"	18.033823
"794092"	591.218623	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+NH4"	18.033823
"1691515"	209.095423	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+NH4"	18.033823
"334690"	200.5821495	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+H+NH4"	19.041099
"730028"	296.1129495	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+H+NH4"	19.041099
"1481293"	105.0513495	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H+NH4"	19.041099
"397059"	405.112418	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+Na"	22.989218
"756597"	596.174018	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+Na"	22.989218
"1609436"	214.050818	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Na"	22.989218
"316189"	203.059847	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+H+Na"	23.996494
"708975"	298.590647	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+H+Na"	23.996494
"1464259"	107.529047	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H+Na"	23.996494
"1054342"	72.02179	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2H+Na"	25.00377
"1270857"	224.095086	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+CH3OH+H"	33.033486
"387974"	421.086358	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+K"	38.963158
"754046"	612.147958	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+K"	38.963158
"1555549"	230.024758	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+K"	38.963158
"309295"	211.046817	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+H+K"	39.970434
"700621"	306.577617	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+H+K"	39.970434
"1451160"	115.516017	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H+K"	39.970434
"247418"	424.157026	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+ACN+H"	42.033826
"1222319"	233.095426	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+ACN+H"	42.033826
"1208752"	117.051351	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+ACN+2H"	43.041102
"192513"	427.09436	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+2Na-H"	44.97116
"635354"	618.15596	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+2Na-H"	44.97116
"1135580"	236.03276	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2Na-H"	44.97116
"177776"	214.050818	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+2Na"	45.978436
"619524"	309.581618	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+2Na"	45.978436
"1127402"	118.520018	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2Na"	45.978436
"1410924"	79.349104	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H+2Na"	46.985712
"1437576"	238.074346	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H+HCOOH"	47.012746
"233105"	219.08384	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+3H2O+2H"	56.04448
"1519712"	252.12639	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+IsoProp+H"	61.06479
"422319"	222.037788	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+Na+K"	61.952376
"784783"	317.568588	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+Na+K"	61.952376
"1681119"	126.506988	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Na+K"	61.952376
"265084"	446.138968	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+ACN+Na"	64.015768
"1238155"	255.077368	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+ACN+Na"	64.015768
"1725219"	255.100893	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+NH4+HCOOH"	64.039293
"1191666"	86.676418	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+3Na"	68.967654
"1663742"	260.056288	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Na+HCOOH"	68.994688
"171333"	459.04224	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+2K-H"	76.91904
"610896"	650.10384	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+2K-H"	76.91904
"1098811"	267.98064	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2K-H"	76.91904
"155865"	230.024758	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"2M+2K"	77.926316
"595426"	325.555558	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"3M+2K"	77.926316
"1082489"	134.493958	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2K"	77.926316
"1108407"	269.995192	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2K+H"	78.933592
"1348070"	270.082807	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+DMSO+H"	79.021207
"1012226"	274.121976	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2ACN+H"	83.060376
"1528165"	275.115608	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+IsoProp+Na+H"	84.054008
"995707"	137.564626	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+2ACN+2H"	84.067652
"1594583"	276.030228	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+K+HCOOH"	84.968628
"1423524"	306.061738	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+H+CF3COOH"	115.000138
"1157094"	158.077901	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+3ACN+2H"	125.094202
"1711019"	323.088285	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+NH4+CF3COOH"	132.026685
"1645576"	328.04368	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+Na+CF3COOH"	136.98208
"1583417"	344.01762	"C02712"	"N-Acetylmethionine;N-Acetyl-L-methionine"	"C7H13NO3S"	"191.0616"	"M+K+CF3COOH"	152.95602
"803941"	293.1111	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M"	0
"980755"	274.09271	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-H2O-H"	-19.01839
"64989"	194.400124	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M-3H"	-3.021828
"503166"	292.103824	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M-3H"	-3.021828
"881987"	96.696424	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-3H"	-3.021828
"6035"	292.103824	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M-2H"	-2.014552
"451063"	438.659374	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M-2H"	-2.014552
"825584"	145.548274	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-2H"	-2.014552
"84481"	585.214924	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M-H"	-1.007276
"527322"	878.326024	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M-H"	-1.007276
"905125"	292.103824	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-H"	-1.007276
"54032"	602.241471	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M-2H+NH4"	16.019271
"491405"	895.352571	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M-2H+NH4"	16.019271
"867021"	309.130371	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-2H+NH4"	16.019271
"40389"	607.196866	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M-2H+Na"	20.974666
"479950"	900.307966	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M-2H+Na"	20.974666
"859941"	314.085766	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-2H+Na"	20.974666
"1628379"	314.085766	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Na-2H"	20.974666
"109049"	310.092163	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M-H+Cl"	33.962126
"549339"	456.647713	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M-H+Cl"	33.962126
"942491"	163.536613	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-H+Cl"	33.962126
"282711"	621.191602	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+Cl"	34.969402
"672614"	914.302702	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+Cl"	34.969402
"1285016"	328.080502	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Cl"	34.969402
"30126"	623.170806	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M-2H+K"	36.948606
"468591"	916.281906	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M-2H+K"	36.948606
"844206"	330.059706	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-2H+K"	36.948606
"1565871"	330.059706	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+K-2H"	36.948606
"956307"	338.109294	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-H+HCOOH"	44.998194
"375616"	631.220401	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+HCOOH-H"	44.998201
"353666"	645.236051	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+Hac-H"	59.013851
"1503230"	352.124951	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Hac-H"	59.013851
"963482"	360.091251	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-H+NaCOOH"	66.980151
"118951"	328.080502	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+2Cl"	69.938804
"565440"	474.636052	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+2Cl"	69.938804
"1031687"	181.524952	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2Cl"	69.938804
"1256004"	372.029985	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Br"	78.918885
"1319822"	374.085972	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Cl+HCOOH"	80.974872
"1334859"	396.067929	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Cl+NaCOOH"	102.956829
"924454"	406.096686	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M-H+CF3COOH"	112.985586
"1304004"	442.073364	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Cl+CF3COOH"	148.962264
"1374948"	258.098424	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H-2H2O"	-35.012676
"1397794"	276.1084	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H-H2O"	-17.0027
"295416"	587.229476	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+H"	1.007276
"688930"	880.340576	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+H"	1.007276
"1356533"	294.118376	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H"	1.007276
"139263"	294.118376	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+2H"	2.014552
"580532"	440.673926	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+2H"	2.014552
"1047629"	147.562826	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2H"	2.014552
"215529"	196.414676	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+3H"	3.021828
"653995"	294.118376	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+3H"	3.021828
"1174307"	98.710976	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+3H"	3.021828
"430289"	604.256023	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+NH4"	18.033823
"789461"	897.367123	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+NH4"	18.033823
"1690532"	311.144923	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+NH4"	18.033823
"336621"	302.6316495	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+H+NH4"	19.041099
"730136"	449.1871995	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+H+NH4"	19.041099
"1481039"	156.0760995	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H+NH4"	19.041099
"399721"	609.211418	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+Na"	22.989218
"756707"	902.322518	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+Na"	22.989218
"1606994"	316.100318	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Na"	22.989218
"316298"	305.109347	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+H+Na"	23.996494
"709083"	451.664897	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+H+Na"	23.996494
"1463149"	158.553797	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H+Na"	23.996494
"1054573"	106.03829	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2H+Na"	25.00377
"1266228"	326.144586	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+CH3OH+H"	33.033486
"383710"	625.185358	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+K"	38.963158
"752729"	918.296458	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+K"	38.963158
"1555489"	332.074258	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+K"	38.963158
"309404"	313.096317	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+H+K"	39.970434
"699638"	459.651867	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+H+K"	39.970434
"1452363"	166.540767	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H+K"	39.970434
"245341"	628.256026	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+ACN+H"	42.033826
"1221335"	335.144926	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+ACN+H"	42.033826
"1208619"	168.076101	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+ACN+2H"	43.041102
"198089"	631.19336	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+2Na-H"	44.97116
"634371"	924.30446	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+2Na-H"	44.97116
"1134959"	338.08226	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2Na-H"	44.97116
"187604"	316.100318	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+2Na"	45.978436
"621819"	462.655868	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+2Na"	45.978436
"1124231"	169.544768	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2Na"	45.978436
"1411034"	113.365604	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H+2Na"	46.985712
"1438779"	340.123846	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H+HCOOH"	47.012746
"232851"	321.13334	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+3H2O+2H"	56.04448
"1518729"	354.17589	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+IsoProp+H"	61.06479
"422063"	324.087288	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+Na+K"	61.952376
"784771"	470.642838	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+Na+K"	61.952376
"1680496"	177.531738	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Na+K"	61.952376
"265194"	650.237968	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+ACN+Na"	64.015768
"1238266"	357.126868	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+ACN+Na"	64.015768
"1725329"	357.150393	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+NH4+HCOOH"	64.039293
"1193964"	120.692918	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+3Na"	68.967654
"1664219"	362.105788	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Na+HCOOH"	68.994688
"171079"	663.14124	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+2K-H"	76.91904
"612101"	956.25234	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+2K-H"	76.91904
"1099529"	370.03014	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2K-H"	76.91904
"156708"	332.074258	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"2M+2K"	77.926316
"595536"	478.629808	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"3M+2K"	77.926316
"1082964"	185.518708	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2K"	77.926316
"1108517"	372.044692	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2K+H"	78.933592
"1347816"	372.132307	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+DMSO+H"	79.021207
"1012336"	376.171476	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2ACN+H"	83.060376
"1528275"	377.165108	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+IsoProp+Na+H"	84.054008
"999097"	188.589376	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+2ACN+2H"	84.067652
"1594693"	378.079728	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+K+HCOOH"	84.968628
"1423634"	408.111238	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+H+CF3COOH"	115.000138
"1158297"	209.102651	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+3ACN+2H"	125.094202
"1710765"	425.137785	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+NH4+CF3COOH"	132.026685
"1645686"	430.09318	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+Na+CF3COOH"	136.98208
"1583527"	446.06712	"C02713"	"N-Acetylmuramate;N-Acetylmuramic acid;N-Acetyl-D-muramoate"	"C11H19NO8"	"293.1111"	"M+K+CF3COOH"	152.95602
"806237"	130.1106	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M"	0
"980865"	111.09221	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-H2O-H"	-19.01839
"65100"	85.733124	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M-3H"	-3.021828
"504293"	129.103324	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M-3H"	-3.021828
"881730"	42.362924	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-3H"	-3.021828
"6145"	129.103324	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M-2H"	-2.014552
"451173"	194.158624	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M-2H"	-2.014552
"825694"	64.048024	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-2H"	-2.014552
"82405"	259.213924	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M-H"	-1.007276
"527432"	389.324524	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M-H"	-1.007276
"905235"	129.103324	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-H"	-1.007276
"50862"	276.240471	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M-2H+NH4"	16.019271
"490422"	406.351071	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M-2H+NH4"	16.019271
"866038"	146.129871	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-2H+NH4"	16.019271
"39406"	281.195866	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M-2H+Na"	20.974666
"476780"	411.306466	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M-2H+Na"	20.974666
"861144"	151.085266	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-2H+Na"	20.974666
"1627396"	151.085266	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Na-2H"	20.974666
"109040"	147.091663	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M-H+Cl"	33.962126
"548967"	212.146963	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M-H+Cl"	33.962126
"941630"	82.036363	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-H+Cl"	33.962126
"281768"	295.190602	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+Cl"	34.969402
"674915"	425.301202	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+Cl"	34.969402
"1286826"	165.080002	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Cl"	34.969402
"30364"	297.169806	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M-2H+K"	36.948606
"469065"	427.280406	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M-2H+K"	36.948606
"847232"	167.059206	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-2H+K"	36.948606
"1570358"	167.059206	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+K-2H"	36.948606
"956417"	175.108794	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-H+HCOOH"	44.998194
"374631"	305.219401	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+HCOOH-H"	44.998201
"356692"	319.235051	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+Hac-H"	59.013851
"1504434"	189.124451	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Hac-H"	59.013851
"965779"	197.090751	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-H+NaCOOH"	66.980151
"121248"	165.080002	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+2Cl"	69.938804
"565431"	230.135302	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+2Cl"	69.938804
"1032891"	100.024702	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2Cl"	69.938804
"1255751"	209.029485	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Br"	78.918885
"1319579"	211.085472	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Cl+HCOOH"	80.974872
"1334890"	233.067429	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Cl+NaCOOH"	102.956829
"925656"	243.096186	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M-H+CF3COOH"	112.985586
"1300178"	279.072864	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Cl+CF3COOH"	148.962264
"1379433"	95.097924	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H-2H2O"	-35.012676
"1394743"	113.1079	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H-H2O"	-17.0027
"298310"	261.228476	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+H"	1.007276
"690621"	391.339076	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+H"	1.007276
"1359923"	131.117876	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H"	1.007276
"138280"	131.117876	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+2H"	2.014552
"581005"	196.173176	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+2H"	2.014552
"1047739"	66.062576	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2H"	2.014552
"219407"	87.747676	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+3H"	3.021828
"655198"	131.117876	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+3H"	3.021828
"1176484"	44.377476	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+3H"	3.021828
"433680"	278.255023	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+NH4"	18.033823
"796498"	408.365623	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+NH4"	18.033823
"1692831"	148.144423	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+NH4"	18.033823
"336733"	139.6311495	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+H+NH4"	19.041099
"735716"	204.6864495	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+H+NH4"	19.041099
"1490631"	74.5758495	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H+NH4"	19.041099
"401654"	283.210418	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+Na"	22.989218
"763744"	413.321018	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+Na"	22.989218
"1615123"	153.099818	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Na"	22.989218
"317871"	142.108847	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+H+Na"	23.996494
"712112"	207.164147	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+H+Na"	23.996494
"1463748"	77.053547	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H+Na"	23.996494
"1056995"	51.70479	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2H+Na"	25.00377
"1266338"	163.144086	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+CH3OH+H"	33.033486
"387829"	299.184358	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+K"	38.963158
"751746"	429.294958	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+K"	38.963158
"1553438"	169.073758	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+K"	38.963158
"311336"	150.095817	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+H+K"	39.970434
"700841"	215.151117	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+H+K"	39.970434
"1452473"	85.040517	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H+K"	39.970434
"245451"	302.255026	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+ACN+H"	42.033826
"1222540"	172.144426	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+ACN+H"	42.033826
"1207148"	86.575851	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+ACN+2H"	43.041102
"199292"	305.19236	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+2Na-H"	44.97116
"632293"	435.30296	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+2Na-H"	44.97116
"1135798"	175.08176	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2Na-H"	44.97116
"180183"	153.099818	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+2Na"	45.978436
"626429"	218.155118	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+2Na"	45.978436
"1127620"	88.044518	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2Na"	45.978436
"1412847"	59.032104	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H+2Na"	46.985712
"1437066"	177.123346	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H+HCOOH"	47.012746
"231866"	158.13284	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+3H2O+2H"	56.04448
"1519932"	191.17539	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+IsoProp+H"	61.06479
"421080"	161.086788	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+Na+K"	61.952376
"784032"	226.142088	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+Na+K"	61.952376
"1680118"	96.031488	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Na+K"	61.952376
"265302"	324.236968	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+ACN+Na"	64.015768
"1239468"	194.126368	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+ACN+Na"	64.015768
"1726166"	194.149893	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+NH4+HCOOH"	64.039293
"1193342"	66.359418	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+3Na"	68.967654
"1664693"	199.105288	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Na+HCOOH"	68.994688
"171432"	337.14024	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+2K-H"	76.91904
"611112"	467.25084	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+2K-H"	76.91904
"1099356"	207.02964	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2K-H"	76.91904
"156328"	169.073758	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"2M+2K"	77.926316
"595645"	234.129058	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"3M+2K"	77.926316
"1082465"	104.018458	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2K"	77.926316
"1111907"	209.044192	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2K+H"	78.933592
"1348290"	209.131807	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+DMSO+H"	79.021207
"1012446"	213.170976	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2ACN+H"	83.060376
"1527291"	214.164608	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+IsoProp+Na+H"	84.054008
"999207"	107.089126	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+2ACN+2H"	84.067652
"1593710"	215.079228	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+K+HCOOH"	84.968628
"1423744"	245.110738	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+H+CF3COOH"	115.000138
"1160594"	127.602401	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+3ACN+2H"	125.094202
"1707959"	262.137285	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+NH4+CF3COOH"	132.026685
"1645796"	267.09268	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+Na+CF3COOH"	136.98208
"1586917"	283.06662	"C02714"	"N-Acetylputrescine"	"C6H14N2O"	"130.1106"	"M+K+CF3COOH"	152.95602
"804163"	313.1314	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M"	0
"974547"	294.11301	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-H2O-H"	-19.01839
"67032"	207.746990666667	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M-3H"	-3.021828
"506594"	312.124124	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M-3H"	-3.021828
"884396"	103.369857333333	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-3H"	-3.021828
"6255"	312.124124	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M-2H"	-2.014552
"443628"	468.689824	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M-2H"	-2.014552
"821428"	155.558424	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-2H"	-2.014552
"83609"	625.255524	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M-H"	-1.007276
"520982"	938.386924	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M-H"	-1.007276
"905346"	312.124124	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-H"	-1.007276
"50972"	642.282071	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M-2H+NH4"	16.019271
"502093"	955.413471	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M-2H+NH4"	16.019271
"879151"	329.150671	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-2H+NH4"	16.019271
"46326"	647.237466	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M-2H+Na"	20.974666
"486133"	960.368866	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M-2H+Na"	20.974666
"863694"	334.106066	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-2H+Na"	20.974666
"1631893"	334.106066	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Na-2H"	20.974666
"108055"	330.112463	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M-H+Cl"	33.962126
"547619"	486.678163	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M-H+Cl"	33.962126
"941493"	173.546763	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-H+Cl"	33.962126
"281026"	661.232202	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+Cl"	34.969402
"674657"	974.363602	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+Cl"	34.969402
"1284874"	348.100802	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Cl"	34.969402
"27429"	663.211406	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M-2H+K"	36.948606
"464801"	976.342806	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M-2H+K"	36.948606
"837136"	350.080006	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-2H+K"	36.948606
"1562812"	350.080006	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+K-2H"	36.948606
"948509"	358.129594	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-H+HCOOH"	44.998194
"370006"	671.261001	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+HCOOH-H"	44.998201
"353888"	685.276651	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+Hac-H"	59.013851
"1499440"	372.145251	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Hac-H"	59.013851
"962610"	380.111551	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-H+NaCOOH"	66.980151
"118077"	348.100802	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+2Cl"	69.938804
"551443"	504.666502	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+2Cl"	69.938804
"1025345"	191.535102	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2Cl"	69.938804
"1252212"	392.050285	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Br"	78.918885
"1312837"	394.106272	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Cl+HCOOH"	80.974872
"1328147"	416.088229	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Cl+NaCOOH"	102.956829
"914831"	426.116986	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M-H+CF3COOH"	112.985586
"1298103"	462.093664	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Cl+CF3COOH"	148.962264
"1378454"	278.118724	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H-2H2O"	-35.012676
"1392671"	296.1287	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H-H2O"	-17.0027
"289079"	627.270076	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+H"	1.007276
"679313"	940.401476	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+H"	1.007276
"1353477"	314.138676	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H"	1.007276
"131836"	314.138676	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+2H"	2.014552
"571394"	470.704376	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+2H"	2.014552
"1039098"	157.572976	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2H"	2.014552
"205907"	209.761542666667	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+3H"	3.021828
"653123"	314.138676	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+3H"	3.021828
"1174529"	105.384409333333	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+3H"	3.021828
"433426"	644.296623	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+NH4"	18.033823
"798798"	957.428023	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+NH4"	18.033823
"1694035"	331.165223	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+NH4"	18.033823
"344501"	322.6519495	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+H+NH4"	19.041099
"731453"	479.2176495	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+H+NH4"	19.041099
"1488552"	166.0862495	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H+NH4"	19.041099
"405043"	649.252018	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+Na"	22.989218
"757299"	962.383418	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+Na"	22.989218
"1608680"	336.120618	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Na"	22.989218
"321998"	325.129647	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+H+Na"	23.996494
"708952"	481.695347	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+H+Na"	23.996494
"1476635"	168.563947	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H+Na"	23.996494
"1065503"	112.711723333333	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2H+Na"	25.00377
"1271323"	346.164886	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+CH3OH+H"	33.033486
"391720"	665.225958	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+K"	38.963158
"753196"	978.357358	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+K"	38.963158
"1553544"	352.094558	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+K"	38.963158
"312543"	333.116617	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+H+K"	39.970434
"704971"	489.682317	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+H+K"	39.970434
"1456967"	176.550917	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H+K"	39.970434
"249943"	668.296626	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+ACN+H"	42.033826
"1223380"	355.165226	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+ACN+H"	42.033826
"1207258"	178.086251	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+ACN+2H"	43.041102
"199402"	671.23396	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+2Na-H"	44.97116
"641149"	984.36536	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+2Na-H"	44.97116
"1141375"	358.10256	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2Na-H"	44.97116
"175918"	336.120618	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+2Na"	45.978436
"618759"	492.686318	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+2Na"	45.978436
"1125547"	179.554918	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2Na"	45.978436
"1406883"	120.039037333333	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H+2Na"	46.985712
"1436446"	360.144146	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H+HCOOH"	47.012746
"224684"	341.15364	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+3H2O+2H"	56.04448
"1516758"	374.19619	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+IsoProp+H"	61.06479
"421553"	344.107588	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+Na+K"	61.952376
"780723"	500.673288	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+Na+K"	61.952376
"1679496"	187.541888	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Na+K"	61.952376
"264676"	690.278568	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+ACN+Na"	64.015768
"1238845"	377.147168	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+ACN+Na"	64.015768
"1726275"	377.170693	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+NH4+HCOOH"	64.039293
"1192355"	127.366351333333	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+3Na"	68.967654
"1664436"	382.126088	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Na+HCOOH"	68.994688
"171903"	703.18184	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+2K-H"	76.91904
"611953"	1016.31324	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+2K-H"	76.91904
"1099380"	390.05044	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2K-H"	76.91904
"155708"	352.094558	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"2M+2K"	77.926316
"591014"	508.660258	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"3M+2K"	77.926316
"1079898"	195.528858	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2K"	77.926316
"1103268"	392.064992	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2K+H"	78.933592
"1341839"	392.152607	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+DMSO+H"	79.021207
"1010368"	396.191776	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2ACN+H"	83.060376
"1526306"	397.185408	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+IsoProp+Na+H"	84.054008
"997130"	198.599526	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+2ACN+2H"	84.067652
"1590541"	398.100028	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+K+HCOOH"	84.968628
"1419481"	428.131538	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+H+CF3COOH"	115.000138
"1148674"	219.112801	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+3ACN+2H"	125.094202
"1702603"	445.158085	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+NH4+CF3COOH"	132.026685
"1638250"	450.11348	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+Na+CF3COOH"	136.98208
"1583749"	466.08742	"C02717"	"N-Feruloyltyramine;trans-N-Feruloyltyramine"	"C18H19NO4"	"313.1314"	"M+K+CF3COOH"	152.95602
"804273"	102.0429	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M"	0
"974888"	83.02451	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-H2O-H"	-19.01839
"67142"	67.021324	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M-3H"	-3.021828
"507798"	101.035624	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M-3H"	-3.021828
"885600"	33.007024	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-3H"	-3.021828
"3085"	101.035624	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M-2H"	-2.014552
"447018"	152.057074	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M-2H"	-2.014552
"821539"	50.014174	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-2H"	-2.014552
"83719"	203.078524	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M-H"	-1.007276
"522185"	305.121424	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M-H"	-1.007276
"903270"	101.035624	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-H"	-1.007276
"51082"	220.105071	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M-2H+NH4"	16.019271
"502450"	322.147971	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M-2H+NH4"	16.019271
"878776"	118.062171	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-2H+NH4"	16.019271
"46436"	225.060466	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M-2H+Na"	20.974666
"486487"	327.103366	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M-2H+Na"	20.974666
"863925"	123.017566	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-2H+Na"	20.974666
"1633221"	123.017566	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Na-2H"	20.974666
"109382"	119.023963	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M-H+Cl"	33.962126
"549425"	170.045413	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M-H+Cl"	33.962126
"942454"	68.002513	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-H+Cl"	33.962126
"281864"	239.055202	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+Cl"	34.969402
"674970"	341.098102	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+Cl"	34.969402
"1286807"	137.012302	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Cl"	34.969402
"29726"	241.034406	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M-2H+K"	36.948606
"467098"	343.077306	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M-2H+K"	36.948606
"836152"	138.991506	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-2H+K"	36.948606
"1562922"	138.991506	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+K-2H"	36.948606
"948619"	147.041094	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-H+HCOOH"	44.998194
"364647"	249.084001	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+HCOOH-H"	44.998201
"351811"	263.099651	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+Hac-H"	59.013851
"1499550"	161.056751	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Hac-H"	59.013851
"960533"	169.023051	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-H+NaCOOH"	66.980151
"111627"	137.012302	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+2Cl"	69.938804
"553375"	188.033752	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+2Cl"	69.938804
"1024361"	85.990852	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2Cl"	69.938804
"1253779"	180.961785	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Br"	78.918885
"1312947"	183.017772	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Cl+HCOOH"	80.974872
"1323883"	204.999729	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Cl+NaCOOH"	102.956829
"911903"	215.028486	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M-H+CF3COOH"	112.985586
"1296026"	251.005164	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Cl+CF3COOH"	148.962264
"1377469"	67.030224	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H-2H2O"	-35.012676
"1392781"	85.0402	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H-H2O"	-17.0027
"283840"	205.093076	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+H"	1.007276
"677600"	307.135976	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+H"	1.007276
"1353951"	103.050176	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H"	1.007276
"127203"	103.050176	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+2H"	2.014552
"568222"	154.071626	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+2H"	2.014552
"1039205"	52.028726	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2H"	2.014552
"207839"	69.035876	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+3H"	3.021828
"654326"	103.050176	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+3H"	3.021828
"1170628"	35.021576	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+3H"	3.021828
"433536"	222.119623	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+NH4"	18.033823
"797814"	324.162523	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+NH4"	18.033823
"1694510"	120.076723	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+NH4"	18.033823
"343517"	111.5634495	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+H+NH4"	19.041099
"732655"	162.5848995	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+H+NH4"	19.041099
"1487567"	60.5419995	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H+NH4"	19.041099
"402966"	227.075018	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+Na"	22.989218
"760689"	329.117918	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+Na"	22.989218
"1604657"	125.032118	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Na"	22.989218
"327211"	114.041147	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+H+Na"	23.996494
"714529"	165.062597	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+H+Na"	23.996494
"1475650"	63.019697	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H+Na"	23.996494
"1065249"	42.34889	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2H+Na"	25.00377
"1272485"	135.076386	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+CH3OH+H"	33.033486
"392637"	243.048958	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+K"	38.963158
"753789"	345.091858	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+K"	38.963158
"1554749"	141.006058	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+K"	38.963158
"313382"	122.028117	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+H+K"	39.970434
"706538"	173.049567	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+H+K"	39.970434
"1460356"	71.006667	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H+K"	39.970434
"251271"	246.119626	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+ACN+H"	42.033826
"1224217"	144.076726	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+ACN+H"	42.033826
"1208461"	72.542001	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+ACN+2H"	43.041102
"199512"	249.05696	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+2Na-H"	44.97116
"641259"	351.09986	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+2Na-H"	44.97116
"1141486"	147.01406	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2Na-H"	44.97116
"179307"	125.032118	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+2Na"	45.978436
"622149"	176.053568	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+2Na"	45.978436
"1124563"	74.010668	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2Na"	45.978436
"1406994"	49.676204	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H+2Na"	46.985712
"1434369"	149.055646	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H+HCOOH"	47.012746
"223700"	130.06514	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+3H2O+2H"	56.04448
"1514681"	163.10769	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+IsoProp+H"	61.06479
"420934"	133.019088	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+Na+K"	61.952376
"779740"	184.040538	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+Na+K"	61.952376
"1680092"	81.997638	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Na+K"	61.952376
"266487"	268.101568	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+ACN+Na"	64.015768
"1239319"	166.058668	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+ACN+Na"	64.015768
"1728167"	166.082193	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+NH4+HCOOH"	64.039293
"1193680"	57.003518	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+3Na"	68.967654
"1665155"	171.037588	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Na+HCOOH"	68.994688
"171527"	281.00484	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+2K-H"	76.91904
"611697"	383.04774	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+2K-H"	76.91904
"1099489"	178.96194	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2K-H"	76.91904
"153753"	141.006058	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"2M+2K"	77.926316
"590029"	192.027508	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"3M+2K"	77.926316
"1076728"	89.984608	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2K"	77.926316
"1103378"	180.976492	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2K+H"	78.933592
"1339762"	181.064107	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+DMSO+H"	79.021207
"1007199"	185.103276	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2ACN+H"	83.060376
"1524835"	186.096908	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+IsoProp+Na+H"	84.054008
"996147"	93.055276	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+2ACN+2H"	84.067652
"1590651"	187.011528	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+K+HCOOH"	84.968628
"1419591"	217.043038	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+H+CF3COOH"	115.000138
"1149148"	113.568551	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+3ACN+2H"	125.094202
"1701620"	234.069585	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+NH4+CF3COOH"	132.026685
"1637267"	239.02498	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+Na+CF3COOH"	136.98208
"1583859"	254.99892	"C02718"	"N-Formiminoglycine;Formiminoglycine;N-Formimidoylglycine"	"C3H6N2O2"	"102.0429"	"M+K+CF3COOH"	152.95602
"810944"	109.0528	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M"	0
"984477"	90.03441	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-H2O-H"	-19.01839
"73814"	71.6945906666667	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M-3H"	-3.021828
"511188"	108.045524	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M-3H"	-3.021828
"888990"	35.3436573333333	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-3H"	-3.021828
"6475"	108.045524	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M-2H"	-2.014552
"446035"	162.571924	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M-2H"	-2.014552
"823836"	53.519124	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-2H"	-2.014552
"89297"	217.098324	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M-H"	-1.007276
"523389"	326.151124	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M-H"	-1.007276
"905567"	108.045524	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-H"	-1.007276
"56659"	234.124871	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M-2H+NH4"	16.019271
"502511"	343.177671	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M-2H+NH4"	16.019271
"878886"	125.072071	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-2H+NH4"	16.019271
"46969"	239.080266	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M-2H+Na"	20.974666
"486920"	348.133066	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M-2H+Na"	20.974666
"864187"	130.027466	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-2H+Na"	20.974666
"1632357"	130.027466	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Na-2H"	20.974666
"109653"	126.033863	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M-H+Cl"	33.962126
"549659"	180.560263	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M-H+Cl"	33.962126
"942753"	71.507463	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-H+Cl"	33.962126
"282581"	253.075002	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+Cl"	34.969402
"674390"	362.127802	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+Cl"	34.969402
"1287281"	144.022202	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Cl"	34.969402
"27650"	255.054206	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M-2H+K"	36.948606
"467209"	364.107006	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M-2H+K"	36.948606
"845011"	146.001406	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-2H+K"	36.948606
"1563032"	146.001406	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+K-2H"	36.948606
"952010"	154.050994	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-H+HCOOH"	44.998194
"366945"	263.103801	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+HCOOH-H"	44.998201
"350828"	277.119451	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+Hac-H"	59.013851
"1494558"	168.066651	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Hac-H"	59.013851
"970485"	176.032951	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-H+NaCOOH"	66.980151
"119391"	144.022202	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+2Cl"	69.938804
"553851"	198.548602	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+2Cl"	69.938804
"1025567"	89.495802	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2Cl"	69.938804
"1252797"	187.971685	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Br"	78.918885
"1317435"	190.027672	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Cl+HCOOH"	80.974872
"1331647"	212.009629	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Cl+NaCOOH"	102.956829
"916145"	222.038386	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M-H+CF3COOH"	112.985586
"1293220"	258.015064	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Cl+CF3COOH"	148.962264
"1380860"	74.040124	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H-2H2O"	-35.012676
"1393982"	92.0501	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H-H2O"	-17.0027
"290392"	219.112876	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+H"	1.007276
"680626"	328.165676	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+H"	1.007276
"1361351"	110.060076	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H"	1.007276
"128774"	110.060076	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+2H"	2.014552
"572708"	164.586476	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+2H"	2.014552
"1042965"	55.533676	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2H"	2.014552
"207586"	73.7091426666667	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+3H"	3.021828
"654436"	110.060076	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+3H"	3.021828
"1172561"	37.3582093333333	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+3H"	3.021828
"436928"	236.139423	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+NH4"	18.033823
"797925"	345.192223	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+NH4"	18.033823
"1694255"	127.086623	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+NH4"	18.033823
"337068"	118.5733495	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+H+NH4"	19.041099
"730583"	173.0997495	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+H+NH4"	19.041099
"1488775"	64.0469495	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H+NH4"	19.041099
"403077"	241.094818	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+Na"	22.989218
"764080"	350.147618	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+Na"	22.989218
"1608900"	132.042018	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Na"	22.989218
"323312"	121.051047	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+H+Na"	23.996494
"714639"	175.577447	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+H+Na"	23.996494
"1473929"	66.524647	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H+Na"	23.996494
"1066451"	44.6855233333333	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2H+Na"	25.00377
"1272658"	142.086286	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+CH3OH+H"	33.033486
"392800"	257.068758	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+K"	38.963158
"754215"	366.121558	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+K"	38.963158
"1555529"	148.015958	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+K"	38.963158
"314189"	129.038017	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+H+K"	39.970434
"707027"	183.564417	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+H+K"	39.970434
"1460345"	74.511617	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H+K"	39.970434
"250282"	260.139426	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+ACN+H"	42.033826
"1224935"	151.086626	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+ACN+H"	42.033826
"1209901"	76.046951	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+ACN+2H"	43.041102
"203391"	263.07676	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+2Na-H"	44.97116
"643854"	372.12956	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+2Na-H"	44.97116
"1146875"	154.02396	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2Na-H"	44.97116
"182700"	132.042018	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+2Na"	45.978436
"628215"	186.568418	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+2Na"	45.978436
"1125767"	77.515618	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2Na"	45.978436
"1408197"	52.0128373333333	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H+2Na"	46.985712
"1437032"	156.065546	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H+HCOOH"	47.012746
"225997"	137.07504	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+3H2O+2H"	56.04448
"1519166"	170.11759	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+IsoProp+H"	61.06479
"423928"	140.028988	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+Na+K"	61.952376
"783131"	194.555388	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+Na+K"	61.952376
"1679113"	85.502588	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Na+K"	61.952376
"265992"	282.121368	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+ACN+Na"	64.015768
"1240406"	173.068568	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+ACN+Na"	64.015768
"1726745"	173.092093	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+NH4+HCOOH"	64.039293
"1193676"	59.3401513333333	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+3Na"	68.967654
"1664785"	178.047488	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Na+HCOOH"	68.994688
"172375"	295.02464	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+2K-H"	76.91904
"612412"	404.07744	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+2K-H"	76.91904
"1099238"	185.97184	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2K-H"	76.91904
"156417"	148.015958	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"2M+2K"	77.926316
"593422"	202.542358	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"3M+2K"	77.926316
"1074650"	93.489558	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2K"	77.926316
"1110049"	187.986392	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2K+H"	78.933592
"1345340"	188.074007	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+DMSO+H"	79.021207
"1007793"	192.113176	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2ACN+H"	83.060376
"1525061"	193.106808	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+IsoProp+Na+H"	84.054008
"996257"	96.560226	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+2ACN+2H"	84.067652
"1599509"	194.021428	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+K+HCOOH"	84.968628
"1422981"	224.052938	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+H+CF3COOH"	115.000138
"1149988"	117.073501	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+3ACN+2H"	125.094202
"1702823"	241.079485	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+NH4+CF3COOH"	132.026685
"1639564"	246.03488	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+Na+CF3COOH"	136.98208
"1583969"	262.00882	"C02720"	"Hydroxylaminobenzene;(Hydroxyamino)benzene"	"C6H7NO"	"109.0528"	"M+K+CF3COOH"	152.95602
"804493"	103.0633	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M"	0
"974500"	84.04491	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"64082"	67.7015906666667	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"511298"	102.056024	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"883632"	33.3471573333333	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"6585"	102.056024	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"443958"	153.587674	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"821759"	50.524374	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"86126"	205.119324	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"522406"	308.182624	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"903488"	102.056024	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"54582"	222.145871	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"502662"	325.209171	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"878510"	119.082571	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"47030"	227.101266	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"486338"	330.164566	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"864097"	124.037966	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1633885"	124.037966	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"109112"	120.044363	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"548307"	171.576013	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"942349"	68.512713	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"278190"	241.096002	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"670611"	344.159302	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1287391"	138.032702	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"27760"	243.075206	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"467319"	346.138506	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"845121"	140.011906	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1565329"	140.011906	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"952120"	148.061494	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"370335"	251.124801	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"350938"	265.140451	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1497584"	162.077151	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"970595"	170.043451	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"119501"	138.032702	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"553597"	189.564352	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1026041"	86.501052	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1254001"	181.982185	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1317545"	184.038172	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1333944"	206.020129	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"918442"	216.048886	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1296246"	252.025564	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1379513"	68.050624	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1392999"	86.0606	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"286127"	207.133876	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"675992"	310.197176	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1355994"	104.070576	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"131070"	104.070576	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"572818"	155.602226	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1042711"	52.538926	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"206603"	69.7161426666667	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"650172"	104.070576	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1170484"	35.3617093333333	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"437037"	224.160423	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"798035"	327.223723	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1694365"	121.097123	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"336084"	112.5838495	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"728506"	164.1154995	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1488885"	61.0521995	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"402094"	229.115818	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"755563"	332.179118	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1609010"	126.052518	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"322328"	115.061547	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"714749"	166.593197	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1471853"	63.529897	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1065103"	42.6890233333333	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1272590"	136.096786	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"392731"	245.089758	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"754015"	348.153058	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1555514"	142.026458	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"314233"	123.048517	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"706030"	174.580167	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1460578"	71.516867	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"251087"	248.160426	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1225169"	145.097126	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1209703"	73.052201	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"203503"	251.09776	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"644220"	354.16106	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1146950"	148.03446	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"179530"	126.052518	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"623463"	177.584168	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1125877"	74.520868	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1406121"	50.0163373333333	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1434956"	150.076046	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"230119"	131.08554	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1519276"	164.12809	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"422248"	134.039488	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"781054"	185.571138	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1680562"	82.507838	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"267060"	270.142368	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1241173"	167.079068	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1728192"	167.102593	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1194078"	57.3436513333333	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1665523"	172.057988	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"172827"	283.04564	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"612687"	386.10894	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1099844"	179.98234	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"157115"	142.026458	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"593532"	193.558108	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1071480"	90.494808	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1111252"	181.996892	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1342170"	182.084507	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1006931"	186.123676	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1524808"	187.117308	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"996367"	93.565476	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1596339"	188.031928	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1419811"	218.063438	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1149369"	114.078751	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1702933"	235.089985	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1638581"	240.04538	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1584079"	256.01932	"C02721"	"N-Methyl-L-alanine"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"804603"	129.1154	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M"	0
"977041"	110.09701	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-H2O-H"	-19.01839
"66378"	85.0696573333333	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M-3H"	-3.021828
"508128"	128.108124	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M-3H"	-3.021828
"887022"	42.0311906666667	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-3H"	-3.021828
"6695"	128.108124	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M-2H"	-2.014552
"447348"	192.665824	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M-2H"	-2.014552
"822962"	63.550424	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-2H"	-2.014552
"85142"	257.223524	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M-H"	-1.007276
"525794"	386.338924	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M-H"	-1.007276
"904691"	128.108124	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-H"	-1.007276
"55785"	274.250071	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M-2H+NH4"	16.019271
"502158"	403.365471	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M-2H+NH4"	16.019271
"877649"	145.134671	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-2H+NH4"	16.019271
"45428"	279.205466	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M-2H+Na"	20.974666
"486693"	408.320866	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M-2H+Na"	20.974666
"858415"	150.090066	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-2H+Na"	20.974666
"1632690"	150.090066	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Na-2H"	20.974666
"107760"	146.096463	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M-H+Cl"	33.962126
"547933"	210.654163	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M-H+Cl"	33.962126
"941811"	81.538763	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-H+Cl"	33.962126
"277206"	293.200202	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+Cl"	34.969402
"674001"	422.315602	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+Cl"	34.969402
"1287380"	164.084802	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Cl"	34.969402
"27870"	295.179406	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M-2H+K"	36.948606
"467429"	424.294806	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M-2H+K"	36.948606
"845231"	166.064006	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-2H+K"	36.948606
"1568719"	166.064006	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+K-2H"	36.948606
"951137"	174.113594	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-H+HCOOH"	44.998194
"367164"	303.229001	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+HCOOH-H"	44.998201
"348859"	317.244651	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+Hac-H"	59.013851
"1497694"	188.129251	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Hac-H"	59.013851
"967424"	196.095551	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-H+NaCOOH"	66.980151
"116331"	164.084802	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+2Cl"	69.938804
"553707"	228.642502	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+2Cl"	69.938804
"1026880"	99.527102	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2Cl"	69.938804
"1255204"	208.034285	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Br"	78.918885
"1316561"	210.090272	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Cl+HCOOH"	80.974872
"1335543"	232.072229	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Cl+NaCOOH"	102.956829
"918552"	242.100986	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M-H+CF3COOH"	112.985586
"1299636"	278.077664	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Cl+CF3COOH"	148.962264
"1380354"	94.102724	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H-2H2O"	-35.012676
"1394202"	112.1127	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H-H2O"	-17.0027
"286237"	259.238076	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+H"	1.007276
"675859"	388.353476	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+H"	1.007276
"1353917"	130.122676	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H"	1.007276
"132273"	130.122676	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+2H"	2.014552
"571835"	194.680376	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+2H"	2.014552
"1041727"	65.564976	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2H"	2.014552
"207806"	87.0842093333333	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+3H"	3.021828
"651375"	130.122676	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+3H"	3.021828
"1172781"	44.0457426666667	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+3H"	3.021828
"436056"	276.264623	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+NH4"	18.033823
"795955"	405.380023	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+NH4"	18.033823
"1694475"	147.149223	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+NH4"	18.033823
"338381"	138.6359495	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+H+NH4"	19.041099
"730802"	203.1936495	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+H+NH4"	19.041099
"1490088"	74.0782495	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H+NH4"	19.041099
"404390"	281.220018	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+Na"	22.989218
"757738"	410.335418	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+Na"	22.989218
"1609120"	152.104618	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Na"	22.989218
"322438"	141.113647	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+H+Na"	23.996494
"714859"	205.671347	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+H+Na"	23.996494
"1471962"	76.555947	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H+Na"	23.996494
"1065577"	51.3730566666667	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2H+Na"	25.00377
"1272369"	162.148886	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+CH3OH+H"	33.033486
"392525"	297.193958	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+K"	38.963158
"753720"	426.309358	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+K"	38.963158
"1554842"	168.078558	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+K"	38.963158
"313678"	149.100617	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+H+K"	39.970434
"706381"	213.658317	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+H+K"	39.970434
"1459960"	84.542917	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H+K"	39.970434
"250870"	300.264626	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+ACN+H"	42.033826
"1224793"	171.149226	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+ACN+H"	42.033826
"1209651"	86.078251	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+ACN+2H"	43.041102
"204102"	303.20196	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+2Na-H"	44.97116
"643911"	432.31736	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+2Na-H"	44.97116
"1145831"	174.08656	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2Na-H"	44.97116
"179640"	152.104618	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+2Na"	45.978436
"623573"	216.662318	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+2Na"	45.978436
"1123799"	87.546918	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2Na"	45.978436
"1402950"	58.7003706666667	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H+2Na"	46.985712
"1435066"	176.128146	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H+HCOOH"	47.012746
"228042"	157.13764	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+3H2O+2H"	56.04448
"1516835"	190.18019	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+IsoProp+H"	61.06479
"421265"	160.091588	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+Na+K"	61.952376
"781895"	224.649288	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+Na+K"	61.952376
"1680670"	95.533888	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Na+K"	61.952376
"267063"	322.246568	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+ACN+Na"	64.015768
"1241188"	193.131168	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+ACN+Na"	64.015768
"1727812"	193.154693	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+NH4+HCOOH"	64.039293
"1194062"	66.0276846666667	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+3Na"	68.967654
"1665532"	198.110088	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Na+HCOOH"	68.994688
"172832"	335.14984	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+2K-H"	76.91904
"612429"	464.26524	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+2K-H"	76.91904
"1099862"	206.03444	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2K-H"	76.91904
"157128"	168.078558	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"2M+2K"	77.926316
"591455"	232.636258	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"3M+2K"	77.926316
"1077058"	103.520858	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2K"	77.926316
"1108083"	208.048992	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2K+H"	78.933592
"1339365"	208.136607	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+DMSO+H"	79.021207
"1012996"	212.175776	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2ACN+H"	83.060376
"1525165"	213.169408	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+IsoProp+Na+H"	84.054008
"995384"	106.591526	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+2ACN+2H"	84.067652
"1595356"	214.084028	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+K+HCOOH"	84.968628
"1418828"	244.115538	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+H+CF3COOH"	115.000138
"1149479"	127.104801	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+3ACN+2H"	125.094202
"1701950"	261.142085	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+NH4+CF3COOH"	132.026685
"1636869"	266.09748	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+Na+CF3COOH"	136.98208
"1584189"	282.07142	"C02722"	"N-Methylhexanamide"	"C7H15NO"	"129.1154"	"M+K+CF3COOH"	152.95602
"805806"	102.1157	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M"	0
"978244"	83.09731	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-H2O-H"	-19.01839
"65757"	67.0698573333333	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M-3H"	-3.021828
"506051"	101.108424	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M-3H"	-3.021828
"883851"	33.0312906666667	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-3H"	-3.021828
"6805"	101.108424	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M-2H"	-2.014552
"445270"	152.166274	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M-2H"	-2.014552
"821978"	50.050574	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-2H"	-2.014552
"85252"	203.224124	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M-H"	-1.007276
"524811"	305.339824	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M-H"	-1.007276
"904801"	101.108424	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-H"	-1.007276
"54802"	220.250671	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M-2H+NH4"	16.019271
"501419"	322.366371	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M-2H+NH4"	16.019271
"876057"	118.134971	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-2H+NH4"	16.019271
"44443"	225.206066	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M-2H+Na"	20.974666
"483640"	327.321766	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M-2H+Na"	20.974666
"858525"	123.090366	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-2H+Na"	20.974666
"1629152"	123.090366	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Na-2H"	20.974666
"104588"	119.096763	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M-H+Cl"	33.962126
"546337"	170.154613	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M-H+Cl"	33.962126
"938031"	68.038913	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-H+Cl"	33.962126
"277316"	239.200802	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+Cl"	34.969402
"668644"	341.316502	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+Cl"	34.969402
"1286884"	137.085102	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Cl"	34.969402
"29561"	241.180006	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M-2H+K"	36.948606
"467539"	343.295706	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M-2H+K"	36.948606
"842790"	139.064306	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-2H+K"	36.948606
"1567735"	139.064306	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+K-2H"	36.948606
"949060"	147.113894	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-H+HCOOH"	44.998194
"366181"	249.229601	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+HCOOH-H"	44.998201
"347876"	263.245251	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+Hac-H"	59.013851
"1497804"	161.129551	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Hac-H"	59.013851
"964254"	169.095851	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-H+NaCOOH"	66.980151
"113161"	137.085102	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+2Cl"	69.938804
"553817"	188.142952	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+2Cl"	69.938804
"1023710"	86.027252	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2Cl"	69.938804
"1252034"	181.034585	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Br"	78.918885
"1315576"	183.090572	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Cl+HCOOH"	80.974872
"1334652"	205.072529	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Cl+NaCOOH"	102.956829
"921941"	215.101286	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M-H+CF3COOH"	112.985586
"1291722"	251.077964	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Cl+CF3COOH"	148.962264
"1379002"	67.103024	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H-2H2O"	-35.012676
"1394312"	85.113	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H-H2O"	-17.0027
"283430"	205.238676	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+H"	1.007276
"676945"	307.354376	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+H"	1.007276
"1352567"	103.122976	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H"	1.007276
"128373"	103.122976	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+2H"	2.014552
"569757"	154.180826	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+2H"	2.014552
"1038557"	52.065126	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2H"	2.014552
"205727"	69.0844093333333	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+3H"	3.021828
"646382"	103.122976	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+3H"	3.021828
"1169610"	35.0458426666667	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+3H"	3.021828
"432882"	222.265223	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+NH4"	18.033823
"791690"	324.380923	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+NH4"	18.033823
"1688020"	120.149523	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+NH4"	18.033823
"335205"	111.6362495	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+H+NH4"	19.041099
"730906"	162.6940995	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+H+NH4"	19.041099
"1488008"	60.5783995	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H+NH4"	19.041099
"402314"	227.220618	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+Na"	22.989218
"758941"	329.336318	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+Na"	22.989218
"1607040"	125.104918	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Na"	22.989218
"321453"	114.113947	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+H+Na"	23.996494
"712782"	165.171797	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+H+Na"	23.996494
"1472439"	63.056097	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H+Na"	23.996494
"1066052"	42.3731566666667	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2H+Na"	25.00377
"1272358"	135.149186	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+CH3OH+H"	33.033486
"391780"	243.194558	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+K"	38.963158
"753141"	345.310258	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+K"	38.963158
"1554465"	141.078858	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+K"	38.963158
"313587"	122.100917	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+H+K"	39.970434
"706859"	173.158767	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+H+K"	39.970434
"1461043"	71.043067	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H+K"	39.970434
"250617"	246.265226	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+ACN+H"	42.033826
"1225392"	144.149526	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+ACN+H"	42.033826
"1209761"	72.578401	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+ACN+2H"	43.041102
"203369"	249.20256	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+2Na-H"	44.97116
"643291"	351.31826	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+2Na-H"	44.97116
"1146062"	147.08686	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2Na-H"	44.97116
"180842"	125.104918	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+2Na"	45.978436
"623683"	176.162768	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+2Na"	45.978436
"1123909"	74.047068	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2Na"	45.978436
"1404153"	49.7004706666667	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H+2Na"	46.985712
"1435176"	149.128446	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H+HCOOH"	47.012746
"228152"	130.13794	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+3H2O+2H"	56.04448
"1516581"	163.18049	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+IsoProp+H"	61.06479
"422833"	133.091888	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+Na+K"	61.952376
"782370"	184.149738	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+Na+K"	61.952376
"1680985"	82.034038	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Na+K"	61.952376
"265958"	268.247168	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+ACN+Na"	64.015768
"1241095"	166.131468	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+ACN+Na"	64.015768
"1726710"	166.154993	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+NH4+HCOOH"	64.039293
"1194088"	57.0277846666667	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+3Na"	68.967654
"1665197"	171.110388	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Na+HCOOH"	68.994688
"172752"	281.15044	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+2K-H"	76.91904
"611405"	383.26614	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+2K-H"	76.91904
"1099613"	179.03474	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2K-H"	76.91904
"157064"	141.078858	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"2M+2K"	77.926316
"591565"	192.136708	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"3M+2K"	77.926316
"1077168"	90.021008	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2K"	77.926316
"1108193"	181.049292	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2K+H"	78.933592
"1339111"	181.136907	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+DMSO+H"	79.021207
"1013106"	185.176076	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2ACN+H"	83.060376
"1526857"	186.169708	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+IsoProp+Na+H"	84.054008
"995494"	93.091676	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+2ACN+2H"	84.067652
"1593279"	187.084328	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+K+HCOOH"	84.968628
"1418938"	217.115838	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+H+CF3COOH"	115.000138
"1149225"	113.604951	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+3ACN+2H"	125.094202
"1703153"	234.142385	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+NH4+CF3COOH"	132.026685
"1635522"	239.09778	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+Na+CF3COOH"	136.98208
"1584299"	255.07172	"C02723"	"N-Methylputrescine"	"C5H14N2"	"102.1157"	"M+K+CF3COOH"	152.95602
"802271"	94.0657	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M"	0
"976167"	75.04731	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-H2O-H"	-19.01839
"64774"	61.7031906666667	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M-3H"	-3.021828
"506161"	93.058424	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M-3H"	-3.021828
"882868"	30.3479573333333	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-3H"	-3.021828
"8007"	93.058424	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M-2H"	-2.014552
"450846"	140.091274	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M-2H"	-2.014552
"825368"	46.025574	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-2H"	-2.014552
"81351"	187.124124	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M-H"	-1.007276
"521640"	281.189824	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M-H"	-1.007276
"899443"	93.058424	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-H"	-1.007276
"52725"	204.150671	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M-2H+NH4"	16.019271
"502015"	298.216371	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M-2H+NH4"	16.019271
"876651"	110.084971	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-2H+NH4"	16.019271
"46216"	209.106066	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M-2H+Na"	20.974666
"481925"	303.171766	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M-2H+Na"	20.974666
"860821"	115.040366	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-2H+Na"	20.974666
"1629991"	115.040366	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Na-2H"	20.974666
"104697"	111.046763	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M-H+Cl"	33.962126
"546447"	158.079613	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M-H+Cl"	33.962126
"939961"	64.013913	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-H+Cl"	33.962126
"275238"	223.100802	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+Cl"	34.969402
"672032"	317.166502	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+Cl"	34.969402
"1286628"	129.035102	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Cl"	34.969402
"29183"	225.080006	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M-2H+K"	36.948606
"465461"	319.145706	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M-2H+K"	36.948606
"839983"	131.014306	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-2H+K"	36.948606
"1567845"	131.014306	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+K-2H"	36.948606
"943579"	139.063894	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-H+HCOOH"	44.998194
"363008"	233.129601	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+HCOOH-H"	44.998201
"347985"	247.145251	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+Hac-H"	59.013851
"1494633"	153.079551	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Hac-H"	59.013851
"962176"	161.045851	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-H+NaCOOH"	66.980151
"115457"	129.035102	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+2Cl"	69.938804
"555019"	176.067952	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+2Cl"	69.938804
"1024547"	82.002252	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2Cl"	69.938804
"1253237"	172.984585	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Br"	78.918885
"1315685"	175.040572	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Cl+HCOOH"	80.974872
"1333180"	197.022529	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Cl+NaCOOH"	102.956829
"915854"	207.051286	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M-H+CF3COOH"	112.985586
"1289647"	243.027964	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Cl+CF3COOH"	148.962264
"1373644"	59.053024	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H-2H2O"	-35.012676
"1393328"	77.063	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H-H2O"	-17.0027
"283295"	189.138676	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+H"	1.007276
"677785"	283.204376	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+H"	1.007276
"1352434"	95.072976	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H"	1.007276
"127388"	95.072976	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+2H"	2.014552
"567311"	142.105826	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+2H"	2.014552
"1039392"	48.040126	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2H"	2.014552
"206930"	63.7177426666667	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+3H"	3.021828
"649406"	95.072976	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+3H"	3.021828
"1167897"	32.3625093333333	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+3H"	3.021828
"428982"	206.165223	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+NH4"	18.033823
"790704"	300.230923	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+NH4"	18.033823
"1684848"	112.099523	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+NH4"	18.033823
"333125"	103.5862495	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+H+NH4"	19.041099
"727733"	150.6190995	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+H+NH4"	19.041099
"1485930"	56.5533995	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H+NH4"	19.041099
"395863"	211.120618	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+Na"	22.989218
"757958"	305.186318	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+Na"	22.989218
"1606057"	117.054918	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Na"	22.989218
"320470"	106.063947	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+H+Na"	23.996494
"712892"	153.096797	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+H+Na"	23.996494
"1468900"	59.031097	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H+Na"	23.996494
"1068395"	39.6898233333333	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2H+Na"	25.00377
"1272348"	127.099186	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+CH3OH+H"	33.033486
"392416"	227.094558	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+K"	38.963158
"753126"	321.160258	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+K"	38.963158
"1553842"	133.028858	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+K"	38.963158
"314230"	114.050917	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+H+K"	39.970434
"706847"	161.083767	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+H+K"	39.970434
"1461181"	67.018067	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H+K"	39.970434
"251294"	230.165226	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+ACN+H"	42.033826
"1225464"	136.099526	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+ACN+H"	42.033826
"1205368"	68.553401	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+ACN+2H"	43.041102
"204081"	233.10256	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+2Na-H"	44.97116
"643767"	327.16826	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+2Na-H"	44.97116
"1146418"	139.03686	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2Na-H"	44.97116
"188126"	117.054918	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+2Na"	45.978436
"628053"	164.087768	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+2Na"	45.978436
"1129853"	70.022068	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2Na"	45.978436
"1412279"	47.0171373333333	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H+2Na"	46.985712
"1436379"	141.078446	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H+HCOOH"	47.012746
"228262"	122.08794	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+3H2O+2H"	56.04448
"1516324"	155.13049	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+IsoProp+H"	61.06479
"418198"	125.041888	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+Na+K"	61.952376
"780292"	172.074738	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+Na+K"	61.952376
"1681163"	78.009038	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Na+K"	61.952376
"266845"	252.147168	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+ACN+Na"	64.015768
"1240244"	158.081468	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+ACN+Na"	64.015768
"1727181"	158.104993	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+NH4+HCOOH"	64.039293
"1193507"	54.3444513333333	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+3Na"	68.967654
"1665186"	163.060388	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Na+HCOOH"	68.994688
"172738"	265.05044	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+2K-H"	76.91904
"612622"	359.11614	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+2K-H"	76.91904
"1099767"	170.98474	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2K-H"	76.91904
"157029"	133.028858	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"2M+2K"	77.926316
"596300"	180.061708	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"3M+2K"	77.926316
"1083480"	85.996008	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2K"	77.926316
"1111585"	172.999292	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2K+H"	78.933592
"1343595"	173.086907	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+DMSO+H"	79.021207
"1013216"	177.126076	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2ACN+H"	83.060376
"1526237"	178.119708	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+IsoProp+Na+H"	84.054008
"995604"	89.066676	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+2ACN+2H"	84.067652
"1593389"	179.034328	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+K+HCOOH"	84.968628
"1419048"	209.065838	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+H+CF3COOH"	115.000138
"1148606"	109.579951	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+3ACN+2H"	125.094202
"1702170"	226.092385	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+NH4+CF3COOH"	132.026685
"1634374"	231.04778	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+Na+CF3COOH"	136.98208
"1584409"	247.02172	"C02724"	"N-Methylpyridinium"	"C6H8N"	"94.0657"	"M+K+CF3COOH"	152.95602
"802017"	656.3229	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M"	0
"977370"	637.30451	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-H2O-H"	-19.01839
"65614"	436.541324	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M-3H"	-3.021828
"505174"	655.315624	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M-3H"	-3.021828
"882978"	217.767024	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-3H"	-3.021828
"8116"	655.315624	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M-2H"	-2.014552
"452049"	983.477074	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M-2H"	-2.014552
"825478"	327.154174	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-2H"	-2.014552
"90936"	1311.638524	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M-H"	-1.007276
"520657"	1967.961424	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M-H"	-1.007276
"901739"	655.315624	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-H"	-1.007276
"50647"	1328.665071	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M-2H+NH4"	16.019271
"493489"	1984.987971	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M-2H+NH4"	16.019271
"876761"	672.342171	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-2H+NH4"	16.019271
"46121"	1333.620466	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M-2H+Na"	20.974666
"484952"	1989.943366	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M-2H+Na"	20.974666
"859837"	677.297566	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-2H+Na"	20.974666
"1629372"	677.297566	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Na-2H"	20.974666
"103713"	673.303963	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M-H+Cl"	33.962126
"543277"	1001.465413	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M-H+Cl"	33.962126
"938978"	345.142513	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-H+Cl"	33.962126
"272068"	1347.615202	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+Cl"	34.969402
"672142"	2003.938102	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+Cl"	34.969402
"1287711"	691.292302	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Cl"	34.969402
"30266"	1349.594406	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M-2H+K"	36.948606
"464478"	2005.917306	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M-2H+K"	36.948606
"840093"	693.271506	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-2H+K"	36.948606
"1565768"	693.271506	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+K-2H"	36.948606
"945999"	701.321094	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-H+HCOOH"	44.998194
"364211"	1357.644001	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+HCOOH-H"	44.998201
"348095"	1371.659651	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+Hac-H"	59.013851
"1501303"	715.336751	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Hac-H"	59.013851
"966660"	723.303051	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-H+NaCOOH"	66.980151
"118848"	691.292302	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+2Cl"	69.938804
"555129"	1019.453752	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+2Cl"	69.938804
"1030489"	363.130852	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2Cl"	69.938804
"1254440"	735.241785	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Br"	78.918885
"1316889"	737.297772	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Cl+HCOOH"	80.974872
"1333290"	759.279729	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Cl+NaCOOH"	102.956829
"918880"	769.308486	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M-H+CF3COOH"	112.985586
"1289757"	805.285164	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Cl+CF3COOH"	148.962264
"1377034"	621.310224	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H-2H2O"	-35.012676
"1394531"	639.3202	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H-H2O"	-17.0027
"288753"	1313.653076	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+H"	1.007276
"677895"	1969.975976	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+H"	1.007276
"1351446"	657.330176	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H"	1.007276
"133695"	657.330176	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+2H"	2.014552
"574348"	985.491626	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+2H"	2.014552
"1040595"	329.168726	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2H"	2.014552
"214328"	438.555876	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+3H"	3.021828
"650608"	657.330176	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+3H"	3.021828
"1167641"	219.781576	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+3H"	3.021828
"427996"	1330.679623	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+NH4"	18.033823
"789354"	1987.002523	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+NH4"	18.033823
"1688602"	674.356723	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+NH4"	18.033823
"336518"	665.8434495	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+H+NH4"	19.041099
"728937"	994.0048995	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+H+NH4"	19.041099
"1484947"	337.6819995	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H+NH4"	19.041099
"395973"	1335.635018	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+Na"	22.989218
"754235"	1991.957918	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+Na"	22.989218
"1606167"	679.312118	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Na"	22.989218
"320580"	668.321147	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+H+Na"	23.996494
"711908"	996.482597	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+H+Na"	23.996494
"1467917"	340.159697	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H+Na"	23.996494
"1066268"	227.10889	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2H+Na"	25.00377
"1272413"	689.356386	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+CH3OH+H"	33.033486
"391634"	1351.608958	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+K"	38.963158
"753683"	2007.931858	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+K"	38.963158
"1555330"	695.286058	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+K"	38.963158
"314190"	676.308117	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+H+K"	39.970434
"706792"	1004.469567	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+H+K"	39.970434
"1458460"	348.146667	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H+K"	39.970434
"251348"	1354.679626	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+ACN+H"	42.033826
"1224390"	698.356726	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+ACN+H"	42.033826
"1206206"	349.682001	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+ACN+2H"	43.041102
"203698"	1357.61696	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+2Na-H"	44.97116
"644230"	2013.93986	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+2Na-H"	44.97116
"1146525"	701.29406	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2Na-H"	44.97116
"188334"	679.312118	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+2Na"	45.978436
"627797"	1007.473568	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+2Na"	45.978436
"1130813"	351.150668	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2Na"	45.978436
"1408743"	234.436204	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H+2Na"	46.985712
"1435396"	703.335646	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H+HCOOH"	47.012746
"229465"	684.34514	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+3H2O+2H"	56.04448
"1516434"	717.38769	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+IsoProp+H"	61.06479
"417215"	687.299088	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+Na+K"	61.952376
"781858"	1015.460538	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+Na+K"	61.952376
"1680960"	359.137638	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Na+K"	61.952376
"266994"	1376.661568	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+ACN+Na"	64.015768
"1239980"	720.338668	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+ACN+Na"	64.015768
"1728348"	720.362193	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+NH4+HCOOH"	64.039293
"1192033"	241.763518	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+3Na"	68.967654
"1665086"	725.317588	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Na+HCOOH"	68.994688
"170606"	1389.56484	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+2K-H"	76.91904
"611261"	2045.88774	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+2K-H"	76.91904
"1099421"	733.24194	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2K-H"	76.91904
"156724"	695.286058	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"2M+2K"	77.926316
"596732"	1023.447508	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"3M+2K"	77.926316
"1081766"	367.124608	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2K"	77.926316
"1111695"	735.256492	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2K+H"	78.933592
"1343705"	735.344107	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+DMSO+H"	79.021207
"1012233"	739.383276	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2ACN+H"	83.060376
"1529264"	740.376908	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+IsoProp+Na+H"	84.054008
"995714"	370.195276	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+2ACN+2H"	84.067652
"1593499"	741.291528	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+K+HCOOH"	84.968628
"1421345"	771.323038	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+H+CF3COOH"	115.000138
"1151632"	390.708551	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+3ACN+2H"	125.094202
"1702280"	788.349585	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+NH4+CF3COOH"	132.026685
"1634181"	793.30498	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+Na+CF3COOH"	136.98208
"1584519"	809.27892	"C02725"	"N3-Acetylneomycin"	"C25H48N6O14"	"656.3229"	"M+K+CF3COOH"	152.95602
"802856"	210.0882	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M"	0
"975658"	191.06981	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-H2O-H"	-19.01839
"63537"	139.051524	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M-3H"	-3.021828
"503461"	209.080924	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M-3H"	-3.021828
"884181"	69.022124	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-3H"	-3.021828
"12600"	209.080924	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M-2H"	-2.014552
"453981"	314.125024	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M-2H"	-2.014552
"828868"	104.036824	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-2H"	-2.014552
"93722"	419.169124	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M-H"	-1.007276
"527326"	629.257324	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M-H"	-1.007276
"905129"	209.080924	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-H"	-1.007276
"54038"	436.195671	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M-2H+NH4"	16.019271
"492506"	646.283871	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M-2H+NH4"	16.019271
"876507"	226.107471	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-2H+NH4"	16.019271
"44043"	441.151066	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M-2H+Na"	20.974666
"482511"	651.239266	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M-2H+Na"	20.974666
"860312"	231.062866	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-2H+Na"	20.974666
"1627293"	231.062866	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Na-2H"	20.974666
"100542"	227.069263	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M-H+Cl"	33.962126
"543387"	332.113363	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M-H+Cl"	33.962126
"937994"	122.025163	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-H+Cl"	33.962126
"275456"	455.145802	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+Cl"	34.969402
"662411"	665.234002	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+Cl"	34.969402
"1282470"	245.057602	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Cl"	34.969402
"29769"	457.125006	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M-2H+K"	36.948606
"464588"	667.213206	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M-2H+K"	36.948606
"840202"	247.036806	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-2H+K"	36.948606
"1562597"	247.036806	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+K-2H"	36.948606
"952669"	255.086394	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-H+HCOOH"	44.998194
"363228"	465.174601	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+HCOOH-H"	44.998201
"349299"	479.190251	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+Hac-H"	59.013851
"1501413"	269.102051	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Hac-H"	59.013851
"968957"	277.068351	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-H+NaCOOH"	66.980151
"122237"	245.057602	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+2Cl"	69.938804
"554146"	350.101702	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+2Cl"	69.938804
"1029506"	140.013502	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2Cl"	69.938804
"1254550"	289.007085	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Br"	78.918885
"1316999"	291.063072	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Cl+HCOOH"	80.974872
"1333400"	313.045029	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Cl+NaCOOH"	102.956829
"918990"	323.073786	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M-H+CF3COOH"	112.985586
"1289865"	359.050464	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Cl+CF3COOH"	148.962264
"1374958"	175.075524	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H-2H2O"	-35.012676
"1393548"	193.0855	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H-H2O"	-17.0027
"288863"	421.183676	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+H"	1.007276
"683472"	631.271876	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+H"	1.007276
"1351800"	211.095476	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H"	1.007276
"132711"	211.095476	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+2H"	2.014552
"579561"	316.139576	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+2H"	2.014552
"1042164"	106.051376	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2H"	2.014552
"214438"	141.066076	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+3H"	3.021828
"651811"	211.095476	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+3H"	3.021828
"1171030"	71.036676	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+3H"	3.021828
"427377"	438.210223	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+NH4"	18.033823
"788371"	648.298423	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+NH4"	18.033823
"1688348"	228.122023	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+NH4"	18.033823
"334076"	219.6087495	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+H+NH4"	19.041099
"729411"	324.6528495	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+H+NH4"	19.041099
"1482870"	114.5646495	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H+NH4"	19.041099
"396447"	443.165618	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+Na"	22.989218
"754251"	653.253818	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+Na"	22.989218
"1605184"	233.077418	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Na"	22.989218
"321783"	222.086447	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+H+Na"	23.996494
"710923"	327.130547	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+H+Na"	23.996494
"1468027"	117.042347	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H+Na"	23.996494
"1066378"	78.36399	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2H+Na"	25.00377
"1272684"	243.121686	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+CH3OH+H"	33.033486
"391379"	459.139558	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+K"	38.963158
"754161"	669.227758	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+K"	38.963158
"1554425"	249.051358	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+K"	38.963158
"314131"	230.073417	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+H+K"	39.970434
"706210"	335.117517	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+H+K"	39.970434
"1456747"	125.029317	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H+K"	39.970434
"249725"	462.210226	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+ACN+H"	42.033826
"1224622"	252.122026	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+ACN+H"	42.033826
"1205223"	126.564651	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+ACN+2H"	43.041102
"202714"	465.14756	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+2Na-H"	44.97116
"643818"	675.23576	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+2Na-H"	44.97116
"1145785"	255.05936	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2Na-H"	44.97116
"187253"	233.077418	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+2Na"	45.978436
"626199"	338.121518	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+2Na"	45.978436
"1129708"	128.033318	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2Na"	45.978436
"1409945"	85.691304	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H+2Na"	46.985712
"1435506"	257.100946	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H+HCOOH"	47.012746
"224107"	238.11044	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+3H2O+2H"	56.04448
"1517637"	271.15299	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+IsoProp+H"	61.06479
"417325"	241.064388	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+Na+K"	61.952376
"776134"	346.108488	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+Na+K"	61.952376
"1677215"	136.020288	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Na+K"	61.952376
"266902"	484.192168	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+ACN+Na"	64.015768
"1240454"	274.103968	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+ACN+Na"	64.015768
"1728379"	274.127493	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+NH4+HCOOH"	64.039293
"1193844"	93.018618	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+3Na"	68.967654
"1665249"	279.082888	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Na+HCOOH"	68.994688
"172671"	497.09544	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+2K-H"	76.91904
"611371"	707.18364	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+2K-H"	76.91904
"1099493"	287.00724	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2K-H"	76.91904
"156712"	249.051358	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"2M+2K"	77.926316
"596637"	354.095458	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"3M+2K"	77.926316
"1081876"	144.007258	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2K"	77.926316
"1109618"	289.021792	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2K+H"	78.933592
"1342721"	289.109407	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+DMSO+H"	79.021207
"1015623"	293.148576	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2ACN+H"	83.060376
"1532654"	294.142208	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+IsoProp+Na+H"	84.054008
"995824"	147.077926	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+2ACN+2H"	84.067652
"1593609"	295.056828	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+K+HCOOH"	84.968628
"1415987"	325.088338	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+H+CF3COOH"	115.000138
"1150648"	167.591201	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+3ACN+2H"	125.094202
"1702390"	342.114885	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+NH4+CF3COOH"	132.026685
"1636944"	347.07028	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+Na+CF3COOH"	136.98208
"1584629"	363.04422	"C02726"	"Phosphoagmatine;Agmatine phosphate"	"C5H15N4O3P"	"210.0882"	"M+K+CF3COOH"	152.95602
"805153"	188.1161	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M"	0
"979778"	169.09771	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-H2O-H"	-19.01839
"68021"	124.403457333333	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M-3H"	-3.021828
"504300"	187.108824	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M-3H"	-3.021828
"886478"	61.6980906666667	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-3H"	-3.021828
"6147"	187.108824	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M-2H"	-2.014552
"453362"	281.166874	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M-2H"	-2.014552
"828978"	93.050774	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-2H"	-2.014552
"88968"	375.224924	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M-H"	-1.007276
"526344"	563.341024	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M-H"	-1.007276
"906332"	187.108824	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-H"	-1.007276
"53054"	392.251471	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M-2H+NH4"	16.019271
"492615"	580.367571	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M-2H+NH4"	16.019271
"875889"	204.135371	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-2H+NH4"	16.019271
"43425"	397.206866	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M-2H+Na"	20.974666
"481890"	585.322966	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M-2H+Na"	20.974666
"858962"	209.090766	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-2H+Na"	20.974666
"1628496"	209.090766	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Na-2H"	20.974666
"102839"	205.097163	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M-H+Cl"	33.962126
"542404"	299.155213	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M-H+Cl"	33.962126
"937011"	111.039113	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-H+Cl"	33.962126
"278846"	411.201602	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+Cl"	34.969402
"665800"	599.317702	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+Cl"	34.969402
"1279297"	223.085502	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Cl"	34.969402
"19669"	413.180806	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M-2H+K"	36.948606
"460322"	601.296906	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M-2H+K"	36.948606
"841405"	225.064706	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-2H+K"	36.948606
"1559424"	225.064706	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+K-2H"	36.948606
"956060"	233.114294	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-H+HCOOH"	44.998194
"367712"	421.230401	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+HCOOH-H"	44.998201
"353783"	435.246051	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+Hac-H"	59.013851
"1503710"	247.129951	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Hac-H"	59.013851
"969067"	255.096251	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-H+NaCOOH"	66.980151
"120160"	223.085502	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+2Cl"	69.938804
"555350"	317.143552	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+2Cl"	69.938804
"1032896"	129.027452	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2Cl"	69.938804
"1255390"	267.034985	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Br"	78.918885
"1316015"	269.090972	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Cl+HCOOH"	80.974872
"1332417"	291.072929	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Cl+NaCOOH"	102.956829
"918007"	301.101686	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M-H+CF3COOH"	112.985586
"1292529"	337.078364	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Cl+CF3COOH"	148.962264
"1375068"	153.103424	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H-2H2O"	-35.012676
"1393658"	171.1134	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H-H2O"	-17.0027
"292253"	377.239476	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+H"	1.007276
"683582"	565.355576	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+H"	1.007276
"1352643"	189.123376	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H"	1.007276
"139018"	189.123376	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+2H"	2.014552
"575660"	283.181426	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+2H"	2.014552
"1048834"	95.065326	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2H"	2.014552
"212361"	126.418009333333	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+3H"	3.021828
"651922"	189.123376	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+3H"	3.021828
"1170046"	63.7126426666667	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+3H"	3.021828
"427122"	394.266023	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+NH4"	18.033823
"789211"	582.382123	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+NH4"	18.033823
"1687729"	206.149923	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+NH4"	18.033823
"332363"	197.6366495	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+H+NH4"	19.041099
"727334"	291.6946995	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+H+NH4"	19.041099
"1481885"	103.5785995	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H+NH4"	19.041099
"396193"	399.221418	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+Na"	22.989218
"756101"	587.337518	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+Na"	22.989218
"1605291"	211.105318	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Na"	22.989218
"322980"	200.114347	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+H+Na"	23.996494
"709940"	294.172397	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+H+Na"	23.996494
"1469231"	106.056297	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H+Na"	23.996494
"1063936"	71.0399566666667	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2H+Na"	25.00377
"1272734"	221.149586	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+CH3OH+H"	33.033486
"391125"	415.195358	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+K"	38.963158
"752362"	603.311458	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+K"	38.963158
"1552712"	227.079258	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+K"	38.963158
"314119"	208.101317	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+H+K"	39.970434
"705227"	302.159367	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+H+K"	39.970434
"1456129"	114.043267	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H+K"	39.970434
"249835"	418.266026	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+ACN+H"	42.033826
"1225550"	230.149926	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+ACN+H"	42.033826
"1207521"	115.578601	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+ACN+2H"	43.041102
"202704"	421.20336	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+2Na-H"	44.97116
"642878"	609.31946	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+2Na-H"	44.97116
"1145652"	233.08726	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2Na-H"	44.97116
"186996"	211.105318	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+2Na"	45.978436
"625944"	305.163368	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+2Na"	45.978436
"1129090"	117.047268	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2Na"	45.978436
"1411148"	78.3672706666667	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H+2Na"	46.985712
"1443024"	235.128846	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H+HCOOH"	47.012746
"224217"	216.13834	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+3H2O+2H"	56.04448
"1517747"	249.18089	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+IsoProp+H"	61.06479
"419258"	219.092288	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+Na+K"	61.952376
"775151"	313.150338	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+Na+K"	61.952376
"1678784"	125.034238	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Na+K"	61.952376
"264577"	440.247968	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+ACN+Na"	64.015768
"1240325"	252.131868	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+ACN+Na"	64.015768
"1727629"	252.155393	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+NH4+HCOOH"	64.039293
"1193470"	85.6945846666667	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+3Na"	68.967654
"1664577"	257.110788	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Na+HCOOH"	68.994688
"172291"	453.15124	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+2K-H"	76.91904
"612336"	641.26734	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+2K-H"	76.91904
"1099847"	265.03514	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2K-H"	76.91904
"156335"	227.079258	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"2M+2K"	77.926316
"590912"	321.137308	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"3M+2K"	77.926316
"1080892"	133.021208	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2K"	77.926316
"1111915"	267.049692	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2K+H"	78.933592
"1346111"	267.137307	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+DMSO+H"	79.021207
"1012452"	271.176476	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2ACN+H"	83.060376
"1530577"	272.170108	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+IsoProp+Na+H"	84.054008
"995934"	136.091876	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+2ACN+2H"	84.067652
"1596999"	273.084728	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+K+HCOOH"	84.968628
"1419377"	303.116238	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+H+CF3COOH"	115.000138
"1151852"	156.605151	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+3ACN+2H"	125.094202
"1702500"	320.142785	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+NH4+CF3COOH"	132.026685
"1635963"	325.09818	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+Na+CF3COOH"	136.98208
"1584739"	341.07212	"C02727"	"N6-Acetyl-L-lysine"	"C8H16N2O3"	"188.1161"	"M+K+CF3COOH"	152.95602
"803076"	160.1212	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M"	0
"975635"	141.10281	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-H2O-H"	-19.01839
"67037"	105.740190666667	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M-3H"	-3.021828
"502906"	159.113924	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M-3H"	-3.021828
"887681"	52.3664573333333	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-3H"	-3.021828
"8443"	159.113924	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M-2H"	-2.014552
"451285"	239.174524	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M-2H"	-2.014552
"829088"	79.053324	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-2H"	-2.014552
"89078"	319.235124	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M-H"	-1.007276
"525361"	479.356324	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M-H"	-1.007276
"910456"	159.113924	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-H"	-1.007276
"54257"	336.261671	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M-2H+NH4"	16.019271
"492725"	496.382871	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M-2H+NH4"	16.019271
"878186"	176.140471	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-2H+NH4"	16.019271
"41347"	341.217066	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M-2H+Na"	20.974666
"480177"	501.338266	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M-2H+Na"	20.974666
"856886"	181.095866	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-2H+Na"	20.974666
"1630793"	181.095866	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Na-2H"	20.974666
"102949"	177.102263	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M-H+Cl"	33.962126
"541420"	257.162863	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M-H+Cl"	33.962126
"934934"	97.041663	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-H+Cl"	33.962126
"277863"	355.211802	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+Cl"	34.969402
"665909"	515.333002	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+Cl"	34.969402
"1276125"	195.090602	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Cl"	34.969402
"19779"	357.191006	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M-2H+K"	36.948606
"458245"	517.312206	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M-2H+K"	36.948606
"839328"	197.069806	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-2H+K"	36.948606
"1557347"	197.069806	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+K-2H"	36.948606
"956170"	205.119394	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-H+HCOOH"	44.998194
"365636"	365.240601	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+HCOOH-H"	44.998201
"353894"	379.256251	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+Hac-H"	59.013851
"1502727"	219.135051	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Hac-H"	59.013851
"969177"	227.101351	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-H+NaCOOH"	66.980151
"123187"	195.090602	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+2Cl"	69.938804
"557647"	275.151202	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+2Cl"	69.938804
"1031913"	115.030002	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2Cl"	69.938804
"1255863"	239.040085	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Br"	78.918885
"1316126"	241.096072	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Cl+HCOOH"	80.974872
"1331434"	263.078029	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Cl+NaCOOH"	102.956829
"919210"	273.106786	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M-H+CF3COOH"	112.985586
"1290816"	309.083464	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Cl+CF3COOH"	148.962264
"1376272"	125.108524	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H-2H2O"	-35.012676
"1392675"	143.1185	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H-H2O"	-17.0027
"295643"	321.249676	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+H"	1.007276
"689160"	481.370876	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+H"	1.007276
"1353483"	161.128476	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H"	1.007276
"139491"	161.128476	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+2H"	2.014552
"574677"	241.189076	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+2H"	2.014552
"1048944"	81.067876	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2H"	2.014552
"214658"	107.754742666667	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+3H"	3.021828
"657497"	161.128476	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+3H"	3.021828
"1171250"	54.3810093333333	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+3H"	3.021828
"429420"	338.276223	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+NH4"	18.033823
"788228"	498.397423	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+NH4"	18.033823
"1686016"	178.155023	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+NH4"	18.033823
"333931"	169.6417495	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+H+NH4"	19.041099
"729267"	249.7023495	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+H+NH4"	19.041099
"1479442"	89.5811495	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H+NH4"	19.041099
"396303"	343.231618	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+Na"	22.989218
"757303"	503.352818	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+Na"	22.989218
"1604062"	183.110418	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Na"	22.989218
"317623"	172.119447	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+H+Na"	23.996494
"712230"	252.180047	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+H+Na"	23.996494
"1464959"	92.058847	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H+Na"	23.996494
"1062585"	61.7083233333333	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2H+Na"	25.00377
"1271082"	193.154686	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+CH3OH+H"	33.033486
"390506"	359.205558	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+K"	38.963158
"752958"	519.326758	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+K"	38.963158
"1551729"	199.084358	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+K"	38.963158
"313526"	180.106417	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+H+K"	39.970434
"705702"	260.167017	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+H+K"	39.970434
"1456239"	100.045817	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H+K"	39.970434
"249581"	362.276226	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+ACN+H"	42.033826
"1225172"	202.155026	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+ACN+H"	42.033826
"1207631"	101.581151	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+ACN+2H"	43.041102
"203177"	365.21356	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+2Na-H"	44.97116
"643108"	525.33476	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+2Na-H"	44.97116
"1145279"	205.09236	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2Na-H"	44.97116
"187106"	183.110418	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+2Na"	45.978436
"624959"	263.171018	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+2Na"	45.978436
"1128833"	103.049818	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2Na"	45.978436
"1410165"	69.0356373333333	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H+2Na"	46.985712
"1441189"	207.133946	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H+HCOOH"	47.012746
"222139"	188.14344	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+3H2O+2H"	56.04448
"1517858"	221.18599	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+IsoProp+H"	61.06479
"420462"	191.097388	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+Na+K"	61.952376
"779635"	271.157988	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+Na+K"	61.952376
"1678528"	111.036788	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Na+K"	61.952376
"265780"	384.258168	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+ACN+Na"	64.015768
"1239461"	224.136968	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+ACN+Na"	64.015768
"1727741"	224.160493	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+NH4+HCOOH"	64.039293
"1193216"	76.3629513333333	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+3Na"	68.967654
"1665174"	229.115888	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Na+HCOOH"	68.994688
"172238"	397.16144	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+2K-H"	76.91904
"611591"	557.28264	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+2K-H"	76.91904
"1099474"	237.04024	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2K-H"	76.91904
"156321"	199.084358	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"2M+2K"	77.926316
"589928"	279.144958	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"3M+2K"	77.926316
"1079907"	119.023758	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2K"	77.926316
"1107649"	239.054792	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2K+H"	78.933592
"1346221"	239.142407	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+DMSO+H"	79.021207
"1011470"	243.181576	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2ACN+H"	83.060376
"1530687"	244.175208	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+IsoProp+Na+H"	84.054008
"996044"	122.094426	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+2ACN+2H"	84.067652
"1597109"	245.089828	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+K+HCOOH"	84.968628
"1421674"	275.121338	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+H+CF3COOH"	115.000138
"1155242"	142.607701	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+3ACN+2H"	125.094202
"1702610"	292.147885	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+NH4+CF3COOH"	132.026685
"1636073"	297.10328	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+Na+CF3COOH"	136.98208
"1584849"	313.07722	"C02728"	"N6-Methyl-L-lysine"	"C7H16N2O2"	"160.1212"	"M+K+CF3COOH"	152.95602
"805374"	222.0528	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M"	0
"978904"	203.03441	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"64233"	147.027924	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"508899"	221.045524	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"889981"	73.010324	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"5277"	221.045524	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"451396"	332.071924	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"820816"	110.019124	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"84819"	443.098324	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"523285"	665.151124	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"905462"	221.045524	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"58745"	460.124871	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"493929"	682.177671	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"876473"	238.072071	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"41820"	465.080266	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"482842"	687.133066	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"859186"	243.027466	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1628720"	243.027466	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"99783"	239.033863	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"538249"	350.060263	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"932856"	128.007463	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"277973"	479.075002	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"666022"	701.127802	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1283896"	257.022202	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"24265"	481.054206	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"466012"	703.107006	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"839439"	259.001406	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1560745"	259.001406	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"951907"	267.050994	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"369029"	489.103801	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"351819"	503.119451	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1496278"	281.066651	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"963820"	289.032951	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"114918"	257.022202	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"557757"	368.048602	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1026553"	145.995802	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1253786"	300.971685	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1314047"	303.027672	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1327169"	325.009629	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"921511"	335.038386	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1298222"	371.015064	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1380757"	187.040124	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1391693"	205.0501	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"286642"	445.112876	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"678334"	667.165676	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1357964"	223.060076	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"135228"	223.060076	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"578068"	334.086476	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1046867"	112.033676	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"210392"	149.042476	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"655421"	223.060076	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1169900"	75.024876	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"430622"	462.139423	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"790161"	684.192223	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1686852"	240.086623	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"332218"	231.5733495	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"727189"	342.5997495	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1479921"	120.5469495	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"395323"	467.094818	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"755345"	689.147618	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1603685"	245.042018	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"314446"	234.051047	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"707600"	345.077447	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1469453"	123.024647	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1066711"	82.35219	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1271801"	255.086286	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"391344"	483.068758	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"753431"	705.121558	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1554751"	261.015958	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"313635"	242.038017	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"704716"	353.064417	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1457077"	131.011617	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"250785"	486.139426	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1224831"	264.086626	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1208227"	132.546951	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"199518"	489.07676	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"643092"	711.12956	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1145990"	267.02396	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"186481"	245.042018	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"623249"	356.068418	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1124567"	134.015618	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1402623"	89.679504	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1434739"	269.065546	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"223347"	250.07504	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1516876"	283.11759	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"414375"	253.028988	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"784256"	364.055388	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1678638"	142.002588	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"265523"	508.121368	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1240422"	286.068568	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1722013"	286.092093	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1189555"	97.006818	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1658352"	291.047488	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"169588"	521.02464	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"608056"	743.07744	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1091475"	298.97184	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"146105"	261.015958	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"583476"	372.042358	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1074550"	149.989558	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1109947"	300.986392	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1344144"	301.074007	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1011579"	305.113176	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1528613"	306.106808	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"997249"	153.060226	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1597219"	307.021428	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1421785"	337.052938	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1155356"	173.573501	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1709282"	354.079485	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1648217"	359.03488	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1584960"	375.00882	"C02730"	"2-Succinylbenzoate;o-Succinylbenzoate;Succinylbenzoate"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"805485"	174.0082	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M"	0
"984487"	154.98981	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-H2O-H"	-19.01839
"74917"	114.998190666667	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M-3H"	-3.021828
"516666"	173.000924	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M-3H"	-3.021828
"891188"	56.9954573333333	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-3H"	-3.021828
"7575"	173.000924	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M-2H"	-2.014552
"448229"	260.005024	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M-2H"	-2.014552
"827125"	85.996824	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-2H"	-2.014552
"87116"	347.009124	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M-H"	-1.007276
"525583"	521.017324	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M-H"	-1.007276
"900471"	173.000924	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-H"	-1.007276
"53389"	364.035671	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M-2H+NH4"	16.019271
"491853"	538.043871	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M-2H+NH4"	16.019271
"867832"	190.027471	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-2H+NH4"	16.019271
"46676"	368.991066	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M-2H+Na"	20.974666
"484777"	542.999266	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M-2H+Na"	20.974666
"860392"	194.982866	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-2H+Na"	20.974666
"1627740"	194.982866	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Na-2H"	20.974666
"99892"	190.989263	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M-H+Cl"	33.962126
"542732"	277.993363	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M-H+Cl"	33.962126
"931143"	103.985163	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-H+Cl"	33.962126
"270794"	382.985802	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+Cl"	34.969402
"661636"	556.994002	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+Cl"	34.969402
"1278539"	208.977602	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Cl"	34.969402
"20001"	384.965006	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M-2H+K"	36.948606
"460656"	558.973206	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M-2H+K"	36.948606
"838825"	210.956806	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-2H+K"	36.948606
"1561949"	210.956806	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+K-2H"	36.948606
"949101"	219.006394	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-H+HCOOH"	44.998194
"365128"	393.014601	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+HCOOH-H"	44.998201
"349015"	407.030251	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+Hac-H"	59.013851
"1498577"	233.022051	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Hac-H"	59.013851
"961745"	240.988351	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-H+NaCOOH"	66.980151
"113203"	208.977602	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+2Cl"	69.938804
"558958"	295.981702	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+2Cl"	69.938804
"1024111"	121.973502	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2Cl"	69.938804
"1251710"	252.927085	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Br"	78.918885
"1308690"	254.983072	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Cl+HCOOH"	80.974872
"1326188"	276.965029	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Cl+NaCOOH"	102.956829
"914335"	286.993786	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M-H+CF3COOH"	112.985586
"1296145"	322.970464	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Cl+CF3COOH"	148.962264
"1371028"	138.995524	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H-2H2O"	-35.012676
"1386332"	157.0055	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H-H2O"	-17.0027
"285656"	349.023676	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+H"	1.007276
"678444"	523.031876	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+H"	1.007276
"1358074"	175.015476	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H"	1.007276
"137524"	175.015476	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+2H"	2.014552
"574896"	262.019576	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+2H"	2.014552
"1046977"	88.011376	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2H"	2.014552
"211596"	117.012742666667	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+3H"	3.021828
"654437"	175.015476	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+3H"	3.021828
"1169646"	59.0100093333333	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+3H"	3.021828
"431462"	366.050223	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+NH4"	18.033823
"789906"	540.058423	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+NH4"	18.033823
"1684415"	192.042023	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+NH4"	18.033823
"333421"	183.5287495	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+H+NH4"	19.041099
"726212"	270.5328495	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+H+NH4"	19.041099
"1482222"	96.5246495	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H+NH4"	19.041099
"398713"	371.005618	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+Na"	22.989218
"757521"	545.013818	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+Na"	22.989218
"1605619"	196.997418	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Na"	22.989218
"315049"	186.006447	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+H+Na"	23.996494
"713552"	273.010547	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+H+Na"	23.996494
"1473939"	99.002347	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H+Na"	23.996494
"1066093"	66.3373233333333	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2H+Na"	25.00377
"1271905"	207.041686	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+CH3OH+H"	33.033486
"390720"	386.979558	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+K"	38.963158
"753865"	560.987758	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+K"	38.963158
"1555229"	212.971358	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+K"	38.963158
"314029"	193.993417	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+H+K"	39.970434
"705558"	280.997517	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+H+K"	39.970434
"1461081"	106.989317	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H+K"	39.970434
"246886"	390.050226	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+ACN+H"	42.033826
"1222874"	216.042026	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+ACN+H"	42.033826
"1207851"	108.524651	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+ACN+2H"	43.041102
"201815"	392.98756	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+2Na-H"	44.97116
"642468"	566.99576	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+2Na-H"	44.97116
"1143787"	218.97936	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2Na-H"	44.97116
"184890"	196.997418	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+2Na"	45.978436
"622264"	284.001518	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+2Na"	45.978436
"1129049"	109.993318	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2Na"	45.978436
"1401640"	73.6646373333333	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H+2Na"	46.985712
"1439232"	221.020946	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H+HCOOH"	47.012746
"234395"	202.03044	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+3H2O+2H"	56.04448
"1519176"	235.07299	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+IsoProp+H"	61.06479
"421059"	204.984388	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+Na+K"	61.952376
"782782"	291.988488	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+Na+K"	61.952376
"1677290"	117.980288	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Na+K"	61.952376
"265267"	412.032168	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+ACN+Na"	64.015768
"1234330"	238.023968	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+ACN+Na"	64.015768
"1722122"	238.047493	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+NH4+HCOOH"	64.039293
"1187476"	80.9919513333333	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+3Na"	68.967654
"1658462"	243.002888	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Na+HCOOH"	68.994688
"170791"	424.93544	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+2K-H"	76.91904
"605980"	598.94364	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+2K-H"	76.91904
"1094866"	250.92724	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2K-H"	76.91904
"146215"	212.971358	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"2M+2K"	77.926316
"587962"	299.975458	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"3M+2K"	77.926316
"1082806"	125.967258	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2K"	77.926316
"1112245"	252.941792	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2K+H"	78.933592
"1343162"	253.029407	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+DMSO+H"	79.021207
"1020566"	257.068576	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2ACN+H"	83.060376
"1538814"	258.062208	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+IsoProp+Na+H"	84.054008
"1004168"	129.037926	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+2ACN+2H"	84.067652
"1597330"	258.976828	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+K+HCOOH"	84.968628
"1421900"	289.008338	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+H+CF3COOH"	115.000138
"1158750"	149.551201	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+3ACN+2H"	125.094202
"1711585"	306.034885	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+NH4+CF3COOH"	132.026685
"1647235"	310.99028	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+Na+CF3COOH"	136.98208
"1585071"	326.96422	"C02734"	"Phenolic phosphate;Phenylphosphate"	"C6H7O4P"	"174.0082"	"M+K+CF3COOH"	152.95602
"805595"	137.0841	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M"	0
"982410"	118.06571	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"75027"	90.382124	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"515684"	136.076824	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"893485"	44.687424	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"4403"	136.076824	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"445058"	204.618874	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"825048"	67.534774	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"86132"	273.160924	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"526787"	410.245024	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"900217"	136.076824	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"53499"	290.187471	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"491963"	427.271571	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"866849"	153.103371	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"46136"	295.142866	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"484156"	432.226966	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"861593"	158.058766	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1628940"	158.058766	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"101095"	154.065163	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"541748"	222.607213	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"929795"	85.523113	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"268229"	309.137602	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"663328"	446.221702	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1279742"	172.053502	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"16462"	311.116806	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"460766"	448.200906	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"840758"	174.032706	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1563152"	174.032706	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"952856"	182.082294	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"367061"	319.166401	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"356051"	333.182051	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1499780"	196.097951	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"963676"	204.064251	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"113313"	172.053502	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"559068"	240.595552	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1025680"	103.511452	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1246353"	216.002985	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1310987"	218.058972	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1327392"	240.040929	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"914810"	250.069686	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1293339"	286.046364	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1370409"	102.071424	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1384013"	120.0814	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"285403"	275.175476	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"677461"	412.259576	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1358184"	138.091376	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"136541"	138.091376	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"576100"	206.633426	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1047087"	69.549326	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"210613"	92.396676	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"652361"	138.091376	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1169392"	46.701976	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"431572"	292.202023	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"792569"	429.286123	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1684890"	155.117923	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"333168"	146.6046495	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"728509"	215.1466995	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1483426"	78.0625995	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"399917"	297.157418	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"758724"	434.241518	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1605971"	160.073318	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"316010"	149.082347	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"713662"	217.624397	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1471861"	80.540297	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1065108"	54.02929	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1272017"	170.117586	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"390828"	313.131358	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"749636"	450.215458	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1551692"	176.047258	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"314209"	157.069317	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"706029"	225.611367	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1458390"	88.527267	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"243716"	316.202026	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1216424"	179.117926	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1198119"	90.062601	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"197551"	319.13936	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"638203"	456.22346	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1141710"	182.05526	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"183907"	160.073318	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"619094"	228.615368	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1122599"	91.531268	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1400657"	61.356604	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1442621"	184.096846	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"234141"	165.10634	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1520379"	198.14889	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"423723"	168.060288	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"783622"	236.602338	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1679225"	99.518238	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"265377"	338.183968	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1234440"	201.099868	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1717859"	201.123393	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1189773"	68.683918	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1658572"	206.078788	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"165435"	351.08724	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"600622"	488.17134	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1091696"	214.00314	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"143768"	176.047258	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"592447"	244.589308	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1083037"	107.505208	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1112355"	216.017692	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1342178"	216.105307	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1021084"	220.144476	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1539694"	221.138108	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"1004765"	110.575876	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1597440"	222.052728	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1427475"	252.084238	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1158860"	131.089151	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1712547"	269.110785	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1647345"	274.06618	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1585181"	290.04012	"C02735"	"Phenylethanolamine;2-Amino-1-phenylethanol"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"802427"	719.0043	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M"	0
"987992"	699.98591	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-H2O-H"	-19.01839
"76598"	478.328924	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M-3H"	-3.021828
"514701"	717.997024	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M-3H"	-3.021828
"892500"	238.660824	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-3H"	-3.021828
"4513"	717.997024	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M-2H"	-2.014552
"442982"	1077.499174	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M-2H"	-2.014552
"822972"	358.494874	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-2H"	-2.014552
"81141"	1437.001324	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M-H"	-1.007276
"522526"	2156.005624	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M-H"	-1.007276
"904701"	717.997024	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-H"	-1.007276
"55796"	1454.027871	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M-2H+NH4"	16.019271
"497542"	2173.032171	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M-2H+NH4"	16.019271
"868783"	735.023571	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-2H+NH4"	16.019271
"37776"	1458.983266	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M-2H+Na"	20.974666
"480620"	2177.987566	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M-2H+Na"	20.974666
"859515"	739.978966	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-2H+Na"	20.974666
"1629050"	739.978966	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Na-2H"	20.974666
"104484"	735.985363	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M-H+Cl"	33.962126
"544045"	1095.487513	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M-H+Cl"	33.962126
"929907"	376.483213	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-H+Cl"	33.962126
"277211"	1472.978002	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+Cl"	34.969402
"661977"	2191.982302	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+Cl"	34.969402
"1276572"	753.973702	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Cl"	34.969402
"16941"	1474.957206	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M-2H+K"	36.948606
"459786"	2193.961506	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M-2H+K"	36.948606
"837222"	755.952906	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-2H+K"	36.948606
"1562168"	755.952906	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+K-2H"	36.948606
"945677"	764.002494	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-H+HCOOH"	44.998194
"373373"	1483.006801	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+HCOOH-H"	44.998201
"355433"	1497.022451	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+Hac-H"	59.013851
"1500985"	778.018151	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Hac-H"	59.013851
"967433"	785.984451	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-H+NaCOOH"	66.980151
"116341"	753.973702	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+2Cl"	69.938804
"561003"	1113.475852	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+2Cl"	69.938804
"1030166"	394.471552	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2Cl"	69.938804
"1242090"	797.923185	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Br"	78.918885
"1307820"	799.979172	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Cl+HCOOH"	80.974872
"1323131"	821.961129	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Cl+NaCOOH"	102.956829
"912485"	831.989886	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M-H+CF3COOH"	112.985586
"1288584"	867.966564	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Cl+CF3COOH"	148.962264
"1373434"	683.991624	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H-2H2O"	-35.012676
"1384733"	702.0016	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H-H2O"	-17.0027
"291709"	1439.015876	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+H"	1.007276
"686318"	2158.020176	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+H"	1.007276
"1364854"	720.011576	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H"	1.007276
"139567"	720.011576	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+2H"	2.014552
"579494"	1079.513726	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+2H"	2.014552
"1049384"	360.509426	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2H"	2.014552
"211817"	480.343476	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+3H"	3.021828
"653564"	720.011576	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+3H"	3.021828
"1171690"	240.675376	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+3H"	3.021828
"432778"	1456.042423	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+NH4"	18.033823
"793773"	2175.046723	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+NH4"	18.033823
"1691200"	737.038123	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+NH4"	18.033823
"336201"	728.5248495	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+H+NH4"	19.041099
"727528"	1088.0269995	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+H+NH4"	19.041099
"1481350"	369.0226995	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H+NH4"	19.041099
"397842"	1460.997818	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+Na"	22.989218
"757744"	2180.002118	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+Na"	22.989218
"1611315"	741.993518	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Na"	22.989218
"320261"	731.002547	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+H+Na"	23.996494
"715960"	1090.504697	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+H+Na"	23.996494
"1467596"	371.500397	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H+Na"	23.996494
"1060838"	248.00269	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2H+Na"	25.00377
"1260333"	752.037786	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+CH3OH+H"	33.033486
"382184"	1476.971758	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+K"	38.963158
"751935"	2195.976058	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+K"	38.963158
"1552894"	757.967458	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+K"	38.963158
"307886"	738.989517	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+H+K"	39.970434
"701401"	1098.491667	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+H+K"	39.970434
"1450851"	379.487367	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H+K"	39.970434
"240546"	1480.042426	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+ACN+H"	42.033826
"1216535"	761.038126	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+ACN+H"	42.033826
"1203699"	381.022701	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+ACN+2H"	43.041102
"193288"	1482.97976	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+2Na-H"	44.97116
"641595"	2201.98406	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+2Na-H"	44.97116
"1139635"	763.97546	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2Na-H"	44.97116
"180739"	741.993518	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+2Na"	45.978436
"619206"	1101.495668	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+2Na"	45.978436
"1128185"	382.491368	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2Na"	45.978436
"1413861"	255.330004	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H+2Na"	46.985712
"1443829"	766.017046	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H+HCOOH"	47.012746
"232434"	747.02654	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+3H2O+2H"	56.04448
"1517216"	780.06909	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+IsoProp+H"	61.06479
"417996"	749.980488	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+Na+K"	61.952376
"782271"	1109.482638	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+Na+K"	61.952376
"1677505"	390.478338	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Na+K"	61.952376
"262932"	1502.024368	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+ACN+Na"	64.015768
"1238558"	783.020068	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+ACN+Na"	64.015768
"1726715"	783.043593	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+NH4+HCOOH"	64.039293
"1194119"	262.657318	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+3Na"	68.967654
"1663055"	787.998988	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Na+HCOOH"	68.994688
"163359"	1514.92764	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+2K-H"	76.91904
"600732"	2233.93194	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+2K-H"	76.91904
"1095086"	795.92334	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2K-H"	76.91904
"149716"	757.967458	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"2M+2K"	77.926316
"590369"	1117.469608	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"3M+2K"	77.926316
"1080349"	398.465308	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2K"	77.926316
"1104809"	797.937892	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2K+H"	78.933592
"1351041"	798.025507	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+DMSO+H"	79.021207
"1016287"	802.064676	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2ACN+H"	83.060376
"1537695"	803.058308	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+IsoProp+Na+H"	84.054008
"1001957"	401.535976	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+2ACN+2H"	84.067652
"1594273"	803.972928	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+K+HCOOH"	84.968628
"1425402"	834.004438	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+H+CF3COOH"	115.000138
"1158974"	422.049251	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+3ACN+2H"	125.094202
"1706338"	851.030985	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+NH4+CF3COOH"	132.026685
"1644175"	855.98638	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+Na+CF3COOH"	136.98208
"1585292"	871.96032	"C02739"	"1-(5-Phospho-D-ribosyl)-ATP;Phosphoribosyl-ATP;N1-(5-Phospho-D-ribosyl)-ATP;1-(5-Phosphoribosyl)-ATP;1-(5-Phospho-beta-D-ribosyl)-ATP"	"C15H25N5O20P4"	"719.0043"	"M+K+CF3COOH"	152.95602
"805817"	279.9976	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M"	0
"987738"	260.97921	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-H2O-H"	-19.01839
"77071"	185.657790666667	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M-3H"	-3.021828
"515904"	278.990324	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M-3H"	-3.021828
"893707"	92.3252573333333	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-3H"	-3.021828
"8998"	278.990324	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M-2H"	-2.014552
"446371"	418.989124	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M-2H"	-2.014552
"824175"	138.991524	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-2H"	-2.014552
"83074"	558.987924	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M-H"	-1.007276
"531262"	838.985524	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M-H"	-1.007276
"904811"	278.990324	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-H"	-1.007276
"54813"	576.014471	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M-2H+NH4"	16.019271
"495466"	856.012071	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M-2H+NH4"	16.019271
"869986"	296.016871	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-2H+NH4"	16.019271
"36793"	580.969866	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M-2H+Na"	20.974666
"479637"	860.967466	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M-2H+Na"	20.974666
"857439"	300.972266	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-2H+Na"	20.974666
"1630254"	300.972266	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Na-2H"	20.974666
"103502"	296.978663	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M-H+Cl"	33.962126
"541970"	436.977463	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M-H+Cl"	33.962126
"941439"	156.979863	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-H+Cl"	33.962126
"280239"	594.964602	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+Cl"	34.969402
"666461"	874.962202	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+Cl"	34.969402
"1276682"	314.967002	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Cl"	34.969402
"18144"	596.943806	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M-2H+K"	36.948606
"465363"	876.941406	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M-2H+K"	36.948606
"838791"	316.946206	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-2H+K"	36.948606
"1565559"	316.946206	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+K-2H"	36.948606
"950162"	324.995794	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-H+HCOOH"	44.998194
"372754"	604.993401	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+HCOOH-H"	44.998201
"359191"	619.009051	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+Hac-H"	59.013851
"1505105"	339.011451	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Hac-H"	59.013851
"970824"	346.977751	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-H+NaCOOH"	66.980151
"118638"	314.967002	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+2Cl"	69.938804
"563301"	454.965802	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+2Cl"	69.938804
"1033557"	174.968202	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2Cl"	69.938804
"1243293"	358.916485	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Br"	78.918885
"1306837"	360.972472	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Cl+HCOOH"	80.974872
"1321418"	382.954429	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Cl+NaCOOH"	102.956829
"913203"	392.983186	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M-H+CF3COOH"	112.985586
"1291005"	428.959864	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Cl+CF3COOH"	148.962264
"1374637"	244.984924	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H-2H2O"	-35.012676
"1386666"	262.9949	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H-H2O"	-17.0027
"288539"	561.002476	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+H"	1.007276
"683148"	841.000076	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+H"	1.007276
"1363872"	281.004876	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H"	1.007276
"138220"	281.004876	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+2H"	2.014552
"577417"	421.003676	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+2H"	2.014552
"1047308"	141.006076	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2H"	2.014552
"211927"	187.672342666667	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+3H"	3.021828
"654768"	281.004876	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+3H"	3.021828
"1169613"	94.3398093333333	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+3H"	3.021828
"430699"	578.029023	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+NH4"	18.033823
"789509"	858.026623	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+NH4"	18.033823
"1693498"	298.031423	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+NH4"	18.033823
"335218"	289.5181495	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+H+NH4"	19.041099
"729826"	429.5169495	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+H+NH4"	19.041099
"1482553"	149.5193495	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H+NH4"	19.041099
"397954"	582.984418	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+Na"	22.989218
"758948"	862.982018	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+Na"	22.989218
"1611425"	302.986818	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Na"	22.989218
"320369"	291.995847	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+H+Na"	23.996494
"714612"	431.994647	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+H+Na"	23.996494
"1468799"	151.997047	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H+Na"	23.996494
"1059855"	101.667123333333	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2H+Na"	25.00377
"1262629"	313.031086	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+CH3OH+H"	33.033486
"382295"	598.958358	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+K"	38.963158
"742199"	878.955958	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+K"	38.963158
"1551911"	318.960758	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+K"	38.963158
"307996"	299.982817	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+H+K"	39.970434
"704063"	439.981617	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+H+K"	39.970434
"1454241"	159.984017	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H+K"	39.970434
"240656"	602.029026	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+ACN+H"	42.033826
"1217739"	322.031426	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+ACN+H"	42.033826
"1203809"	161.519351	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+ACN+2H"	43.041102
"193398"	604.96636	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+2Na-H"	44.97116
"641341"	884.96396	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+2Na-H"	44.97116
"1139745"	324.96876	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2Na-H"	44.97116
"179756"	302.986818	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+2Na"	45.978436
"620408"	442.985618	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+2Na"	45.978436
"1127567"	162.988018	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2Na"	45.978436
"1414098"	108.994437333333	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H+2Na"	46.985712
"1443938"	327.010346	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H+HCOOH"	47.012746
"235096"	308.01984	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+3H2O+2H"	56.04448
"1519512"	341.06239	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+IsoProp+H"	61.06479
"420293"	310.973788	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+Na+K"	61.952376
"782381"	450.972588	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+Na+K"	61.952376
"1678708"	170.974988	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Na+K"	61.952376
"264866"	624.010968	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+ACN+Na"	64.015768
"1240492"	344.013368	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+ACN+Na"	64.015768
"1727558"	344.036893	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+NH4+HCOOH"	64.039293
"1193638"	116.321751333333	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+3Na"	68.967654
"1664258"	348.992288	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Na+HCOOH"	68.994688
"161282"	636.91424	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+2K-H"	76.91904
"604122"	916.91184	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+2K-H"	76.91904
"1095196"	356.91664	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2K-H"	76.91904
"149826"	318.960758	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"2M+2K"	77.926316
"593759"	458.959558	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"3M+2K"	77.926316
"1081552"	178.961958	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2K"	77.926316
"1107106"	358.931192	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2K+H"	78.933592
"1350421"	359.018807	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+DMSO+H"	79.021207
"1020044"	363.057976	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2ACN+H"	83.060376
"1538535"	364.051608	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+IsoProp+Na+H"	84.054008
"999879"	182.032626	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+2ACN+2H"	84.067652
"1594383"	364.966228	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+K+HCOOH"	84.968628
"1425512"	394.997738	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+H+CF3COOH"	115.000138
"1162364"	202.545901	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+3ACN+2H"	125.094202
"1707541"	412.024285	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+NH4+CF3COOH"	132.026685
"1644285"	416.97968	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+Na+CF3COOH"	136.98208
"1585402"	432.95362	"C02740"	"Photinus luciferin;(S)-45-Dihydro-2-(6-hydroxy-13-benzothiazol-2-yl)thiazole-4-carboxylic acid;(S)-45-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;Firefly luciferin"	"C11H8N2O3S2"	"279.9976"	"M+K+CF3COOH"	152.95602
"805927"	559.0717	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M"	0
"984933"	540.05331	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-H2O-H"	-19.01839
"73172"	371.707190666667	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M-3H"	-3.021828
"506172"	558.064424	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M-3H"	-3.021828
"888346"	185.349957333333	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-3H"	-3.021828
"3639"	558.064424	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M-2H"	-2.014552
"444294"	837.600274	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M-2H"	-2.014552
"824284"	278.528574	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-2H"	-2.014552
"86462"	1117.136124	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M-H"	-1.007276
"527120"	1676.207824	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M-H"	-1.007276
"903827"	558.064424	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-H"	-1.007276
"56016"	1134.162671	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M-2H+NH4"	16.019271
"495576"	1693.234371	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M-2H+NH4"	16.019271
"871190"	575.090971	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-2H+NH4"	16.019271
"40182"	1139.118066	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M-2H+Na"	20.974666
"478652"	1698.189766	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M-2H+Na"	20.974666
"857548"	580.046366	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-2H+Na"	20.974666
"1628176"	580.046366	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Na-2H"	20.974666
"102518"	576.052763	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M-H+Cl"	33.962126
"539893"	855.588613	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M-H+Cl"	33.962126
"935595"	296.516913	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-H+Cl"	33.962126
"279618"	1153.112802	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+Cl"	34.969402
"666571"	1712.184502	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+Cl"	34.969402
"1277885"	594.041102	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Cl"	34.969402
"18254"	1155.092006	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M-2H+K"	36.948606
"466567"	1714.163706	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M-2H+K"	36.948606
"838901"	596.020306	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-2H+K"	36.948606
"1565669"	596.020306	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+K-2H"	36.948606
"953552"	604.069894	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-H+HCOOH"	44.998194
"371772"	1163.141601	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+HCOOH-H"	44.998201
"352375"	1177.157251	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+Hac-H"	59.013851
"1503393"	618.085551	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Hac-H"	59.013851
"968747"	626.051851	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-H+NaCOOH"	66.980151
"115468"	594.041102	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+2Cl"	69.938804
"558308"	873.576952	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+2Cl"	69.938804
"1030387"	314.505252	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2Cl"	69.938804
"1241863"	637.990585	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Br"	78.918885
"1308040"	640.046572	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Cl+HCOOH"	80.974872
"1320548"	662.028529	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Cl+NaCOOH"	102.956829
"911975"	672.057286	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M-H+CF3COOH"	112.985586
"1291115"	708.033964	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Cl+CF3COOH"	148.962264
"1371466"	524.059024	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H-2H2O"	-35.012676
"1387868"	542.069	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H-H2O"	-17.0027
"288647"	1119.150676	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+H"	1.007276
"682164"	1678.222376	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+H"	1.007276
"1362887"	560.078976	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H"	1.007276
"139062"	560.078976	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+2H"	2.014552
"578254"	839.614826	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+2H"	2.014552
"1047417"	280.543126	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2H"	2.014552
"212037"	373.721742666667	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+3H"	3.021828
"652691"	560.078976	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+3H"	3.021828
"1169722"	187.364509333333	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+3H"	3.021828
"429716"	1136.177223	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+NH4"	18.033823
"791805"	1695.248923	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+NH4"	18.033823
"1694700"	577.105523	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+NH4"	18.033823
"336420"	568.5922495	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+H+NH4"	19.041099
"728843"	848.1280995	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+H+NH4"	19.041099
"1484850"	289.0563995	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H+NH4"	19.041099
"400251"	1141.132618	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+Na"	22.989218
"762338"	1700.204318	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+Na"	22.989218
"1608255"	582.060918	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Na"	22.989218
"320479"	571.069947	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+H+Na"	23.996494
"713993"	850.605797	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+H+Na"	23.996494
"1466722"	291.534097	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H+Na"	23.996494
"1057778"	194.691823333333	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2H+Na"	25.00377
"1261645"	592.105186	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+CH3OH+H"	33.033486
"381311"	1157.106558	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+K"	38.963158
"744493"	1716.178258	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+K"	38.963158
"1551657"	598.034858	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+K"	38.963158
"305916"	579.056917	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+H+K"	39.970434
"704537"	858.592767	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+H+K"	39.970434
"1460182"	299.521067	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H+K"	39.970434
"241859"	1160.177226	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+ACN+H"	42.033826
"1218942"	601.105526	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+ACN+H"	42.033826
"1203919"	301.056401	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+ACN+2H"	43.041102
"199704"	1163.11456	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+2Na-H"	44.97116
"641330"	1722.18626	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+2Na-H"	44.97116
"1145687"	604.04286	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2Na-H"	44.97116
"183875"	582.060918	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+2Na"	45.978436
"620518"	861.596768	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+2Na"	45.978436
"1127677"	302.525068	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2Na"	45.978436
"1411933"	202.019137333333	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H+2Na"	46.985712
"1442589"	606.084446	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H+HCOOH"	47.012746
"231196"	587.09394	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+3H2O+2H"	56.04448
"1518165"	620.13649	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+IsoProp+H"	61.06479
"417123"	590.047888	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+Na+K"	61.952376
"779211"	869.583738	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+Na+K"	61.952376
"1677726"	310.512038	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Na+K"	61.952376
"264247"	1182.159168	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+ACN+Na"	64.015768
"1235498"	623.087468	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+ACN+Na"	64.015768
"1723291"	623.110993	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+NH4+HCOOH"	64.039293
"1193629"	209.346451333333	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+3Na"	68.967654
"1662181"	628.066388	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Na+HCOOH"	68.994688
"163578"	1195.06244	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+2K-H"	76.91904
"600952"	1754.13414	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+2K-H"	76.91904
"1095306"	635.99074	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2K-H"	76.91904
"146656"	598.034858	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"2M+2K"	77.926316
"593869"	877.570708	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"3M+2K"	77.926316
"1082881"	318.499008	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2K"	77.926316
"1108309"	638.005292	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2K+H"	78.933592
"1350774"	638.092907	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+DMSO+H"	79.021207
"1020275"	642.132076	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2ACN+H"	83.060376
"1538766"	643.125708	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+IsoProp+Na+H"	84.054008
"1003148"	321.569676	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+2ACN+2H"	84.067652
"1594493"	644.040328	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+K+HCOOH"	84.968628
"1424529"	674.071838	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+H+CF3COOH"	115.000138
"1158100"	342.082951	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+3ACN+2H"	125.094202
"1706558"	691.098385	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+NH4+CF3COOH"	132.026685
"1644395"	696.05378	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+Na+CF3COOH"	136.98208
"1585512"	712.02772	"C02741"	"Phosphoribosyl-AMP;N1-(5-Phospho-D-ribosyl)-AMP;1-(5-Phosphoribosyl)-AMP;1-(5-Phospho-beta-D-ribosyl)-AMP"	"C15H23N5O14P2"	"559.0717"	"M+K+CF3COOH"	152.95602
"806038"	541.2921	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M"	0
"986500"	522.27371	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-H2O-H"	-19.01839
"74375"	359.854124	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M-3H"	-3.021828
"509563"	540.284824	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M-3H"	-3.021828
"882990"	179.423424	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-3H"	-3.021828
"5941"	540.284824	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M-2H"	-2.014552
"447688"	810.930874	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M-2H"	-2.014552
"825491"	269.638774	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-2H"	-2.014552
"92045"	1081.576924	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M-H"	-1.007276
"526137"	1622.869024	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M-H"	-1.007276
"901751"	540.284824	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-H"	-1.007276
"51753"	1098.603471	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M-2H+NH4"	16.019271
"494592"	1639.895571	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M-2H+NH4"	16.019271
"870205"	557.311371	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-2H+NH4"	16.019271
"40298"	1103.558866	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M-2H+Na"	20.974666
"479856"	1644.850966	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M-2H+Na"	20.974666
"856566"	562.266766	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-2H+Na"	20.974666
"1627194"	562.266766	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Na-2H"	20.974666
"102630"	558.273163	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M-H+Cl"	33.962126
"540003"	828.919213	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M-H+Cl"	33.962126
"938985"	287.627113	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-H+Cl"	33.962126
"273166"	1117.553602	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+Cl"	34.969402
"666688"	1658.845702	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+Cl"	34.969402
"1276903"	576.261502	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Cl"	34.969402
"23835"	1119.532806	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M-2H+K"	36.948606
"467769"	1660.824906	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M-2H+K"	36.948606
"842291"	578.240706	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-2H+K"	36.948606
"1562500"	578.240706	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+K-2H"	36.948606
"955852"	586.290294	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-H+HCOOH"	44.998194
"369693"	1127.582401	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+HCOOH-H"	44.998201
"355765"	1141.598051	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+Hac-H"	59.013851
"1505689"	600.305951	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Hac-H"	59.013851
"968857"	608.272251	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-H+NaCOOH"	66.980151
"117766"	576.261502	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+2Cl"	69.938804
"558417"	846.907552	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+2Cl"	69.938804
"1030494"	305.615452	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2Cl"	69.938804
"1251166"	620.210985	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Br"	78.918885
"1305231"	622.266972	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Cl+HCOOH"	80.974872
"1323095"	644.248929	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Cl+NaCOOH"	102.956829
"912329"	654.277686	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M-H+CF3COOH"	112.985586
"1291231"	690.254364	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Cl+CF3COOH"	148.962264
"1372671"	506.279424	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H-2H2O"	-35.012676
"1386519"	524.2894	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H-H2O"	-17.0027
"285480"	1083.591476	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+H"	1.007276
"684462"	1624.883576	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+H"	1.007276
"1358625"	542.299376	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H"	1.007276
"136984"	542.299376	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+2H"	2.014552
"578367"	812.945426	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+2H"	2.014552
"1047527"	271.653326	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2H"	2.014552
"214700"	361.868676	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+3H"	3.021828
"649521"	542.299376	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+3H"	3.021828
"1170927"	181.437976	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+3H"	3.021828
"434201"	1100.618023	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+NH4"	18.033823
"799581"	1641.910123	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+NH4"	18.033823
"1693724"	559.325923	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+NH4"	18.033823
"342366"	550.8126495	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+H+NH4"	19.041099
"736245"	821.4586995	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+H+NH4"	19.041099
"1492252"	280.1665995	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H+NH4"	19.041099
"404735"	1105.573418	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+Na"	22.989218
"758079"	1646.865518	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+Na"	22.989218
"1607271"	564.281318	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Na"	22.989218
"319496"	553.290347	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+H+Na"	23.996494
"709729"	823.936397	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+H+Na"	23.996494
"1462818"	282.644297	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H+Na"	23.996494
"1055701"	188.76529	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2H+Na"	25.00377
"1260662"	574.325586	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+CH3OH+H"	33.033486
"384704"	1121.547358	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+K"	38.963158
"752632"	1662.839458	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+K"	38.963158
"1554685"	580.255258	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+K"	38.963158
"313321"	561.277317	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+H+K"	39.970434
"705015"	831.923367	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+H+K"	39.970434
"1454461"	290.631267	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H+K"	39.970434
"239783"	1124.618026	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+ACN+H"	42.033826
"1214677"	583.325926	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+ACN+H"	42.033826
"1202937"	292.166601	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+ACN+2H"	43.041102
"197990"	1127.55536	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+2Na-H"	44.97116
"636457"	1668.84746	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+2Na-H"	44.97116
"1139966"	586.26326	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2Na-H"	44.97116
"178885"	564.281318	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+2Na"	45.978436
"625739"	834.927368	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+2Na"	45.978436
"1128151"	293.635268	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2Na"	45.978436
"1409852"	196.092604	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H+2Na"	46.985712
"1443799"	588.304846	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H+HCOOH"	47.012746
"230212"	569.31434	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+3H2O+2H"	56.04448
"1522649"	602.35689	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+IsoProp+H"	61.06479
"422336"	572.268288	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+Na+K"	61.952376
"781508"	842.914338	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+Na+K"	61.952376
"1678933"	301.622238	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Na+K"	61.952376
"263630"	1146.599968	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+ACN+Na"	64.015768
"1235608"	605.307868	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+ACN+Na"	64.015768
"1723036"	605.331393	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+NH4+HCOOH"	64.039293
"1189484"	203.419918	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+3Na"	68.967654
"1664722"	610.286788	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Na+HCOOH"	68.994688
"172070"	1159.50324	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+2K-H"	76.91904
"604341"	1700.79534	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+2K-H"	76.91904
"1095416"	618.21114	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2K-H"	76.91904
"144577"	580.255258	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"2M+2K"	77.926316
"593980"	850.901308	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"3M+2K"	77.926316
"1078491"	309.609208	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2K"	77.926316
"1113889"	620.225692	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2K+H"	78.933592
"1346993"	620.313307	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+DMSO+H"	79.021207
"1019658"	624.352476	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2ACN+H"	83.060376
"1533651"	625.346108	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+IsoProp+Na+H"	84.054008
"993539"	312.679876	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+2ACN+2H"	84.067652
"1588408"	626.260728	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+K+HCOOH"	84.968628
"1419172"	656.292238	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+H+CF3COOH"	115.000138
"1159303"	333.193151	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+3ACN+2H"	125.094202
"1701199"	673.318785	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+NH4+CF3COOH"	132.026685
"1641224"	678.27418	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+Na+CF3COOH"	136.98208
"1573593"	694.24812	"C02744"	"Psychosine sulfate"	"C24H47NO10S"	"541.2921"	"M+K+CF3COOH"	152.95602
"806150"	326.0638	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M"	0
"979684"	307.04541	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-H2O-H"	-19.01839
"67929"	216.368590666667	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M-3H"	-3.021828
"508582"	325.056524	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M-3H"	-3.021828
"885291"	107.680657333333	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-3H"	-3.021828
"8243"	325.056524	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M-2H"	-2.014552
"446709"	488.088424	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M-2H"	-2.014552
"826698"	162.024624	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-2H"	-2.014552
"86690"	651.120324	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M-H"	-1.007276
"528436"	977.184124	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M-H"	-1.007276
"902957"	325.056524	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-H"	-1.007276
"51862"	668.146871	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M-2H+NH4"	16.019271
"493612"	994.210671	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M-2H+NH4"	16.019271
"872508"	342.083071	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-2H+NH4"	16.019271
"40410"	673.102266	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M-2H+Na"	20.974666
"481063"	999.166066	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M-2H+Na"	20.974666
"855584"	347.038466	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-2H+Na"	20.974666
"1625116"	347.038466	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Na-2H"	20.974666
"101643"	343.044863	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M-H+Cl"	33.962126
"537924"	506.076763	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M-H+Cl"	33.962126
"932542"	180.012963	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-H+Cl"	33.962126
"273286"	687.097002	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+Cl"	34.969402
"666801"	1013.160802	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+Cl"	34.969402
"1277017"	361.033202	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Cl"	34.969402
"16533"	689.076206	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M-2H+K"	36.948606
"456003"	1015.140006	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M-2H+K"	36.948606
"833774"	363.012406	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-2H+K"	36.948606
"1560426"	363.012406	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+K-2H"	36.948606
"950495"	371.061994	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-H+HCOOH"	44.998194
"363241"	697.125801	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+HCOOH-H"	44.998201
"348948"	711.141451	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+Hac-H"	59.013851
"1497051"	385.077651	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Hac-H"	59.013851
"962405"	393.043951	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-H+NaCOOH"	66.980151
"112042"	361.033202	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+2Cl"	69.938804
"552332"	524.065102	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+2Cl"	69.938804
"1024047"	198.001302	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2Cl"	69.938804
"1242536"	404.982685	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Br"	78.918885
"1305713"	407.038672	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Cl+HCOOH"	80.974872
"1320167"	429.020629	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Cl+NaCOOH"	102.956829
"913901"	439.049386	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M-H+CF3COOH"	112.985586
"1288567"	475.026064	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Cl+CF3COOH"	148.962264
"1368770"	291.051124	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H-2H2O"	-35.012676
"1384813"	309.0611	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H-H2O"	-17.0027
"283891"	653.134876	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+H"	1.007276
"678376"	979.198676	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+H"	1.007276
"1361650"	327.071076	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H"	1.007276
"136726"	327.071076	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+2H"	2.014552
"577381"	490.102976	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+2H"	2.014552
"1042172"	164.039176	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2H"	2.014552
"206792"	218.383142666667	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+3H"	3.021828
"645989"	327.071076	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+3H"	3.021828
"1173233"	109.695209333333	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+3H"	3.021828
"428855"	670.161423	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+NH4"	18.033823
"787662"	996.225223	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+NH4"	18.033823
"1686177"	344.097623	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+NH4"	18.033823
"332632"	335.5843495	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+H+NH4"	19.041099
"727970"	498.6162495	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+H+NH4"	19.041099
"1480701"	172.5524495	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H+NH4"	19.041099
"393019"	675.116818	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+Na"	22.989218
"754658"	1001.180618	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+Na"	22.989218
"1602921"	349.053018	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Na"	22.989218
"316323"	338.062047	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+H+Na"	23.996494
"708136"	501.093947	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+H+Na"	23.996494
"1462808"	175.030147	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H+Na"	23.996494
"1055812"	117.022523333333	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2H+Na"	25.00377
"1260772"	359.097286	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+CH3OH+H"	33.033486
"382631"	691.090758	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+K"	38.963158
"748002"	1017.154558	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+K"	38.963158
"1544589"	365.026958	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+K"	38.963158
"306139"	346.049017	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+H+K"	39.970434
"698562"	509.080917	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+H+K"	39.970434
"1453478"	183.017117	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H+K"	39.970434
"240985"	694.161426	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+ACN+H"	42.033826
"1214782"	368.097626	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+ACN+H"	42.033826
"1199763"	184.552451	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+ACN+2H"	43.041102
"193725"	697.09876	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+2Na-H"	44.97116
"634379"	1023.16256	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+2Na-H"	44.97116
"1140082"	371.03496	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2Na-H"	44.97116
"186291"	349.053018	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+2Na"	45.978436
"628413"	512.084918	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+2Na"	45.978436
"1128264"	186.021118	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2Na"	45.978436
"1412521"	124.349837333333	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H+2Na"	46.985712
"1443179"	373.076546	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H+HCOOH"	47.012746
"233238"	354.08604	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+3H2O+2H"	56.04448
"1521664"	387.12859	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+IsoProp+H"	61.06479
"422079"	357.039988	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+Na+K"	61.952376
"780519"	520.071888	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+Na+K"	61.952376
"1675760"	194.008088	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Na+K"	61.952376
"256812"	716.143368	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+ACN+Na"	64.015768
"1231708"	390.079568	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+ACN+Na"	64.015768
"1720592"	390.103093	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+NH4+HCOOH"	64.039293
"1185947"	131.677151333333	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+3Na"	68.967654
"1651955"	395.058488	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Na+HCOOH"	68.994688
"159789"	729.04664	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+2K-H"	76.91904
"600442"	1055.11044	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+2K-H"	76.91904
"1092245"	402.98284	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2K-H"	76.91904
"147967"	365.026958	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"2M+2K"	77.926316
"590811"	528.058858	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"3M+2K"	77.926316
"1076418"	201.995058	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2K"	77.926316
"1104161"	404.997392	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2K+H"	78.933592
"1337990"	405.085007	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+DMSO+H"	79.021207
"1009071"	409.124176	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2ACN+H"	83.060376
"1530484"	410.117808	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+IsoProp+Na+H"	84.054008
"991461"	205.065726	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+2ACN+2H"	84.067652
"1595810"	411.032428	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+K+HCOOH"	84.968628
"1422565"	441.063938	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+H+CF3COOH"	115.000138
"1151759"	225.579001	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+3ACN+2H"	125.094202
"1702404"	458.090485	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+NH4+CF3COOH"	132.026685
"1638056"	463.04588	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+Na+CF3COOH"	136.98208
"1575895"	479.01982	"C02750"	"Sinapoyltartronate"	"C14H14O9"	"326.0638"	"M+K+CF3COOH"	152.95602
"806260"	126.0317	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M"	0
"979794"	107.01331	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-H2O-H"	-19.01839
"68039"	83.0138573333333	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M-3H"	-3.021828
"504318"	125.024424	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M-3H"	-3.021828
"884307"	41.0032906666667	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-3H"	-3.021828
"10539"	125.024424	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M-2H"	-2.014552
"445726"	188.040274	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M-2H"	-2.014552
"824620"	62.008574	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-2H"	-2.014552
"84612"	251.056124	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M-H"	-1.007276
"523078"	377.087824	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M-H"	-1.007276
"900881"	125.024424	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-H"	-1.007276
"50513"	268.082671	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M-2H+NH4"	16.019271
"491533"	394.114371	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M-2H+NH4"	16.019271
"869338"	142.050971	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-2H+NH4"	16.019271
"39427"	273.038066	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M-2H+Na"	20.974666
"481173"	399.069766	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M-2H+Na"	20.974666
"853508"	147.006366	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-2H+Na"	20.974666
"1623039"	147.006366	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Na-2H"	20.974666
"100661"	143.012763	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M-H+Cl"	33.962126
"535850"	206.028613	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M-H+Cl"	33.962126
"932652"	79.996913	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-H+Cl"	33.962126
"278863"	287.032802	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+Cl"	34.969402
"666911"	413.064502	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+Cl"	34.969402
"1277127"	161.001102	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Cl"	34.969402
"17495"	289.012006	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M-2H+K"	36.948606
"457055"	415.043706	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M-2H+K"	36.948606
"835950"	162.980306	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-2H+K"	36.948606
"1560536"	162.980306	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+K-2H"	36.948606
"950605"	171.029894	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-H+HCOOH"	44.998194
"363715"	297.061601	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+HCOOH-H"	44.998201
"348694"	311.077251	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+Hac-H"	59.013851
"1496067"	185.045551	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Hac-H"	59.013851
"965795"	193.011851	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-H+NaCOOH"	66.980151
"114339"	161.001102	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+2Cl"	69.938804
"554264"	224.016952	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+2Cl"	69.938804
"1023429"	97.985252	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2Cl"	69.938804
"1244469"	204.950585	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Br"	78.918885
"1309470"	207.006572	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Cl+HCOOH"	80.974872
"1321864"	228.988529	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Cl+NaCOOH"	102.956829
"912921"	239.017286	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M-H+CF3COOH"	112.985586
"1289994"	274.993964	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Cl+CF3COOH"	148.962264
"1372893"	91.019024	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H-2H2O"	-35.012676
"1393670"	109.029	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H-H2O"	-17.0027
"286797"	253.070676	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+H"	1.007276
"681402"	379.102376	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+H"	1.007276
"1363221"	127.038976	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H"	1.007276
"137565"	127.038976	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+2H"	2.014552
"577492"	190.054826	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+2H"	2.014552
"1041187"	64.023126	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2H"	2.014552
"209087"	85.0284093333333	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+3H"	3.021828
"647557"	127.038976	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+3H"	3.021828
"1174438"	43.0178426666667	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+3H"	3.021828
"430058"	270.097223	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+NH4"	18.033823
"788865"	396.128923	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+NH4"	18.033823
"1685194"	144.065523	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+NH4"	18.033823
"341128"	135.5522495	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+H+NH4"	19.041099
"729172"	198.5680995	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+H+NH4"	19.041099
"1480811"	72.5363995	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H+NH4"	19.041099
"392928"	275.052618	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+Na"	22.989218
"755380"	401.084318	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+Na"	22.989218
"1604207"	149.020918	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Na"	22.989218
"316432"	138.029947	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+H+Na"	23.996494
"707883"	201.045797	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+H+Na"	23.996494
"1461536"	75.014097	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H+Na"	23.996494
"1054094"	50.3451566666667	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2H+Na"	25.00377
"1259789"	159.065186	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+CH3OH+H"	33.033486
"379459"	291.026558	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+K"	38.963158
"745923"	417.058258	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+K"	38.963158
"1545792"	164.994858	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+K"	38.963158
"308437"	146.016917	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+H+K"	39.970434
"698672"	209.032767	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+H+K"	39.970434
"1451401"	83.001067	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H+K"	39.970434
"241094"	294.097226	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+ACN+H"	42.033826
"1215989"	168.065526	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+ACN+H"	42.033826
"1198779"	84.536401	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+ACN+2H"	43.041102
"193835"	297.03456	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+2Na-H"	44.97116
"633398"	423.06626	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+2Na-H"	44.97116
"1140192"	171.00286	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2Na-H"	44.97116
"186767"	149.020918	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+2Na"	45.978436
"628447"	212.036768	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+2Na"	45.978436
"1129471"	86.005068	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2Na"	45.978436
"1412751"	57.6724706666667	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H+2Na"	46.985712
"1443896"	173.044446	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H+HCOOH"	47.012746
"234321"	154.05394	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+3H2O+2H"	56.04448
"1521410"	187.09649	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+IsoProp+H"	61.06479
"421461"	157.007888	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+Na+K"	61.952376
"780629"	220.023738	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+Na+K"	61.952376
"1673684"	93.992038	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Na+K"	61.952376
"260202"	316.079168	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+ACN+Na"	64.015768
"1230723"	190.047468	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+ACN+Na"	64.015768
"1717424"	190.070993	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+NH4+HCOOH"	64.039293
"1186057"	64.9997846666667	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+3Na"	68.967654
"1652674"	195.026388	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Na+HCOOH"	68.994688
"161723"	328.98244	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+2K-H"	76.91904
"602377"	455.01414	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+2K-H"	76.91904
"1090169"	202.95074	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2K-H"	76.91904
"153546"	164.994858	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"2M+2K"	77.926316
"590921"	228.010708	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"3M+2K"	77.926316
"1079808"	101.979008	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2K"	77.926316
"1103178"	204.965292	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2K+H"	78.933592
"1336647"	205.052907	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+DMSO+H"	79.021207
"1006996"	209.092076	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2ACN+H"	83.060376
"1530594"	210.085708	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+IsoProp+Na+H"	84.054008
"991574"	105.049676	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+2ACN+2H"	84.067652
"1595920"	211.000328	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+K+HCOOH"	84.968628
"1419394"	241.031838	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+H+CF3COOH"	115.000138
"1149682"	125.562951	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+3ACN+2H"	125.094202
"1698140"	258.058385	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+NH4+CF3COOH"	132.026685
"1638166"	263.01378	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+Na+CF3COOH"	136.98208
"1576005"	278.98772	"C02752"	"Triacetate lactone;4-Hydroxy-6-methyl-2-pyrone"	"C6H6O3"	"126.0317"	"M+K+CF3COOH"	152.95602
"806370"	148.0372	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M"	0
"979904"	129.01881	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"72519"	97.6841906666667	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"504428"	147.029924	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"882231"	48.3384573333333	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"5183"	147.029924	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"443650"	221.048524	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"820358"	73.011324	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"81443"	295.067124	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"521002"	443.104324	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"898804"	147.029924	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"48436"	312.093671	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"487715"	460.130871	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"867262"	164.056471	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"37350"	317.049066	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"478003"	465.086266	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"853618"	169.011866	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1622057"	169.011866	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"102958"	165.018263	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"535960"	239.036863	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"929481"	90.999663	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"273505"	331.043802	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"663741"	479.081002	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1279423"	183.006602	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"17604"	333.023006	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"459352"	481.060206	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"836060"	184.985806	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1562829"	184.985806	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"950713"	193.035394	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"362365"	341.072601	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"350626"	355.088251	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1495081"	207.051051	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"964810"	215.017351	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"112623"	183.006602	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"552549"	257.025202	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1023175"	108.988002	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1242028"	226.956085	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1309580"	229.012072	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1320881"	250.994029	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"912667"	261.022786	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1289740"	296.999464	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1371910"	113.024524	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1393780"	131.0345	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"286907"	297.081676	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"681513"	445.118876	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1363328"	149.044476	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"137310"	149.044476	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"577602"	223.063076	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1041297"	75.025876	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"214664"	99.6987426666667	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"650946"	149.044476	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1175278"	50.3530093333333	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"426889"	314.108223	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"794442"	462.145423	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1685304"	166.071023	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"342331"	157.5577495	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"731470"	231.5763495	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1479828"	83.5391495	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"394252"	319.063618	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"756218"	467.100818	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1605410"	171.026418	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"317269"	160.035447	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"710058"	234.054047	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1462294"	86.016847	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1055298"	57.6803233333333	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1258078"	181.070686	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"377745"	335.037558	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"743847"	483.074758	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1544809"	187.000358	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"305267"	168.022417	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"691692"	242.041017	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1453696"	94.003817	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"236465"	338.108226	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1216099"	190.071026	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1198886"	95.539151	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"191757"	341.04556	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"633506"	489.08276	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1137021"	193.00836	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"186511"	171.026418	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"628026"	245.045018	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1129457"	97.007818	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1411279"	65.0076373333333	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1444005"	195.049946	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"233822"	176.05944	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1522248"	209.10199	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"422663"	179.013388	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"780739"	253.031988	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1670513"	104.994788	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"257032"	360.090168	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1229740"	212.052968	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1718626"	212.076493	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1185074"	72.3349513333333	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1656062"	217.031888	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"158185"	372.99344	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"598110"	521.03064	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1088091"	224.95624	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"144908"	187.000358	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"588844"	261.018958	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1079918"	112.981758	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1103288"	226.970792	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1336393"	227.058407	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1006742"	231.097576	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1530704"	232.091208	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"990955"	116.052426	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1593843"	233.005828	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1419504"	263.037338	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1149792"	136.565701	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1698250"	280.063885	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1638276"	285.01928	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1576115"	300.99322	"C02753"	"D-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"803204"	152.1201	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M"	0
"977100"	133.10171	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"64978"	100.406124	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"504537"	151.112824	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"880149"	49.699424	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"4195"	151.112824	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"441569"	227.172874	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"818640"	75.052774	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"79363"	303.232924	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"519522"	455.353024	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"896605"	151.112824	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"47416"	320.259471	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"488598"	472.379571	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"869560"	168.139371	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"33449"	325.214866	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"473742"	477.334966	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"860299"	173.094766	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1624366"	173.094766	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"100894"	169.101163	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"536444"	245.161213	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"932876"	93.041113	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"271434"	339.209602	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"663489"	491.329702	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1273581"	187.089502	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"19906"	341.188806	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"461653"	493.308906	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"838362"	189.068706	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1559663"	189.068706	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"947911"	197.118294	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"366124"	349.238401	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"346480"	363.254051	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1494468"	211.133951	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"960180"	219.100251	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"112742"	187.089502	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"557774"	263.149552	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1025111"	111.029452	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1243959"	231.038985	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1306407"	233.094972	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1320381"	255.076929	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"912529"	265.105686	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1292040"	301.082364	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1367284"	117.107424	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1385147"	135.1174	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"293585"	305.247476	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"684914"	457.367576	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1364177"	153.127376	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H"	1.007276
"129777"	153.127376	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"570429"	229.187426	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1041420"	77.067326	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"212602"	102.420676	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"651069"	153.127376	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1165060"	51.713976	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"428090"	322.274023	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"790184"	474.394123	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1686514"	170.153923	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"336981"	161.6406495	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"727214"	237.7006995	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1481033"	85.5805995	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"396432"	327.229418	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"757425"	479.349518	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1605156"	175.109318	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"317014"	164.118347	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"710175"	240.178397	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1468372"	88.058297	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1061621"	59.04129	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1264390"	185.153586	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"378100"	343.203358	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"739136"	495.323458	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1543460"	191.083258	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+K"	38.963158
"302096"	172.105317	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"692084"	248.165367	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1446878"	96.045267	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"235889"	346.274026	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1225578"	194.153926	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1207031"	97.580601	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"203067"	349.21136	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"643235"	501.33146	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1144919"	197.09126	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"186264"	175.109318	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"623269"	251.169368	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1128964"	99.049268	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1411999"	66.368604	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1439131"	199.132846	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"232113"	180.14234	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1516892"	213.18489	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"417673"	183.096288	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"774292"	259.156338	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1671720"	107.036238	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"260428"	368.255968	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1232043"	216.135868	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1715825"	216.159393	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1189565"	73.695918	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1656177"	221.114788	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"169603"	381.15924	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"608797"	533.27934	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1095864"	229.03914	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"149398"	191.083258	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"590052"	267.143308	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1069461"	115.023208	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1101213"	231.053692	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1336863"	231.141307	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1017065"	235.180476	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1537014"	236.174108	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"995077"	118.093876	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1591767"	237.088728	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1414246"	267.120238	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1152090"	138.607151	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1712464"	284.146785	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1644951"	289.10218	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1579509"	305.07612	"C02759"	"alpha-Pinene-oxide"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"803316"	164.0473	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M"	0
"980129"	145.02891	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"63266"	108.357590666667	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"504281"	163.040024	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"887922"	53.6751573333333	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"173"	163.040024	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"451529"	245.063674	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"826050"	81.016374	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"82758"	327.087324	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"527789"	491.134624	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"900121"	163.040024	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"47442"	344.113871	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"491870"	508.161171	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"874048"	180.066571	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"43776"	349.069266	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"480419"	513.116566	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"860045"	185.021966	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1628850"	185.021966	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"103191"	181.028363	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"535824"	263.052013	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"935172"	99.004713	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"272637"	363.064002	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"664329"	527.111302	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1275273"	199.016702	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"18924"	365.043206	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"459579"	529.090506	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"839567"	200.995906	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1563052"	200.995906	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"944368"	209.045494	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"362949"	373.092801	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"346838"	387.108451	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1493118"	223.061151	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"960056"	231.027451	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"110542"	199.016702	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"553506"	281.040352	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1026315"	116.993052	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1244434"	242.966185	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1304368"	245.022172	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1320121"	267.004129	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"912890"	277.032886	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1289351"	313.009564	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1368485"	129.034624	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1383185"	147.0446	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"291507"	329.101876	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"686115"	493.149176	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1353715"	165.054576	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"128065"	165.054576	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"569447"	247.078226	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1039337"	83.030926	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"205173"	110.372142666667	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"646802"	165.054576	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1169306"	55.6897093333333	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"426017"	346.128423	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"785707"	510.175723	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1681639"	182.081123	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"333807"	173.5678495	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"727323"	255.5914995	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1478956"	91.5441995	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"394355"	351.083818	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"755467"	515.131118	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1607823"	187.036518	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"321148"	176.045547	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"721593"	258.069197	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1472862"	94.021897	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1061731"	63.0170233333333	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1264501"	197.080786	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"380888"	367.057758	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"741886"	531.105058	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1540657"	203.010458	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"302207"	184.032517	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"696821"	266.056167	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1459768"	102.008867	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"250555"	370.128426	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1224237"	206.081126	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1209216"	103.544201	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"202943"	373.06576	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"642984"	537.11306	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1146123"	209.01846	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"179447"	187.036518	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"622651"	269.060168	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1126156"	105.012868	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1403852"	70.3443373333333	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1439248"	211.060046	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"229306"	192.06954	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1518100"	225.11209	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"422162"	195.023488	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"777687"	277.047138	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1676205"	112.999838	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"263820"	392.110368	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1240424"	228.063068	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1726151"	228.086593	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1192965"	77.6716513333333	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1661757"	233.041988	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"171177"	405.01364	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"612195"	569.06094	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1096342"	240.96634	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"154251"	203.010458	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"586883"	285.034108	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1079421"	120.986808	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1110076"	242.980892	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1348286"	243.068507	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1018272"	247.107676	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1536760"	248.101308	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"1000655"	124.057476	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1589692"	249.015928	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1420819"	279.047438	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1150014"	144.570751	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1709413"	296.073985	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1643969"	301.02938	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1579621"	317.00332	"C02763"	"2-Hydroxy-3-phenylpropenoate;enol-Phenylpyruvate;enol-Phenylpyruvic acid;enol-alpha-Ketohydrocinnamic acid"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"806707"	165.1154	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M"	0
"980239"	146.09701	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-H2O-H"	-19.01839
"64106"	109.069657333333	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M-3H"	-3.021828
"513512"	164.108124	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M-3H"	-3.021828
"888033"	54.0311906666667	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-3H"	-3.021828
"12443"	164.108124	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M-2H"	-2.014552
"450544"	246.665824	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M-2H"	-2.014552
"823971"	81.550424	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-2H"	-2.014552
"81775"	329.223524	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M-H"	-1.007276
"525710"	494.338924	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M-H"	-1.007276
"900231"	164.108124	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-H"	-1.007276
"56795"	346.250071	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M-2H+NH4"	16.019271
"498181"	511.365471	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M-2H+NH4"	16.019271
"877447"	181.134671	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-2H+NH4"	16.019271
"44981"	351.205466	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M-2H+Na"	20.974666
"485635"	516.320866	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M-2H+Na"	20.974666
"860520"	186.090066	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-2H+Na"	20.974666
"1624584"	186.090066	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Na-2H"	20.974666
"102207"	182.096463	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M-H+Cl"	33.962126
"535813"	264.654163	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M-H+Cl"	33.962126
"927739"	99.538763	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-H+Cl"	33.962126
"269827"	365.200202	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+Cl"	34.969402
"662249"	530.315602	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+Cl"	34.969402
"1277569"	200.084802	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Cl"	34.969402
"17087"	367.179406	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M-2H+K"	36.948606
"459321"	532.294806	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M-2H+K"	36.948606
"836394"	202.064006	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-2H+K"	36.948606
"1557446"	202.064006	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+K-2H"	36.948606
"944843"	210.113594	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-H+HCOOH"	44.998194
"364528"	375.229001	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+HCOOH-H"	44.998201
"346945"	389.244651	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+Hac-H"	59.013851
"1495044"	224.129251	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Hac-H"	59.013851
"961493"	232.095551	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-H+NaCOOH"	66.980151
"110893"	200.084802	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+2Cl"	69.938804
"553614"	282.642502	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+2Cl"	69.938804
"1023871"	117.527102	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2Cl"	69.938804
"1242963"	244.034285	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Br"	78.918885
"1305289"	246.090272	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Cl+HCOOH"	80.974872
"1323399"	268.072229	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Cl+NaCOOH"	102.956829
"914093"	278.100986	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M-H+CF3COOH"	112.985586
"1288815"	314.077664	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Cl+CF3COOH"	148.962264
"1367504"	130.102724	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H-2H2O"	-35.012676
"1383909"	148.1127	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H-H2O"	-17.0027
"284443"	331.238076	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+H"	1.007276
"677110"	496.353476	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+H"	1.007276
"1357110"	166.122676	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H"	1.007276
"128904"	166.122676	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+2H"	2.014552
"570652"	248.680376	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+2H"	2.014552
"1039453"	83.564976	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2H"	2.014552
"204555"	111.084209333333	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+3H"	3.021828
"646912"	166.122676	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+3H"	3.021828
"1163338"	56.0457426666667	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+3H"	3.021828
"426128"	348.264623	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+NH4"	18.033823
"786512"	513.380023	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+NH4"	18.033823
"1681869"	183.149223	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+NH4"	18.033823
"331000"	174.6359495	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+H+NH4"	19.041099
"726334"	257.1936495	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+H+NH4"	19.041099
"1478091"	92.0782495	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H+NH4"	19.041099
"393856"	353.220018	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+Na"	22.989218
"757652"	518.335418	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+Na"	22.989218
"1613410"	188.104618	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Na"	22.989218
"326729"	177.113647	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+H+Na"	23.996494
"719153"	259.671347	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+H+Na"	23.996494
"1474065"	94.555947	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H+Na"	23.996494
"1060749"	63.3730566666667	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2H+Na"	25.00377
"1266801"	198.148886	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+CH3OH+H"	33.033486
"385378"	369.193958	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+K"	38.963158
"745277"	534.309358	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+K"	38.963158
"1545143"	204.078558	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+K"	38.963158
"311075"	185.100617	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+H+K"	39.970434
"706584"	267.658317	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+H+K"	39.970434
"1460604"	102.542917	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H+K"	39.970434
"250424"	372.264626	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+ACN+H"	42.033826
"1225083"	207.149226	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+ACN+H"	42.033826
"1208724"	104.078251	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+ACN+2H"	43.041102
"203533"	375.20196	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+2Na-H"	44.97116
"643090"	540.31736	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+2Na-H"	44.97116
"1143556"	210.08656	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2Na-H"	44.97116
"179557"	188.104618	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+2Na"	45.978436
"618023"	270.662318	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+2Na"	45.978436
"1126999"	105.546918	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2Na"	45.978436
"1403962"	70.7003706666667	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H+2Na"	46.985712
"1442640"	212.128146	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H+HCOOH"	47.012746
"231242"	193.13764	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+3H2O+2H"	56.04448
"1521493"	226.18019	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+IsoProp+H"	61.06479
"417898"	196.091588	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+Na+K"	61.952376
"776703"	278.649288	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+Na+K"	61.952376
"1679965"	113.533888	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Na+K"	61.952376
"263929"	394.246568	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+ACN+Na"	64.015768
"1240666"	229.131168	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+ACN+Na"	64.015768
"1727358"	229.154693	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+NH4+HCOOH"	64.039293
"1193439"	78.0276846666667	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+3Na"	68.967654
"1663699"	234.110088	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Na+HCOOH"	68.994688
"171651"	407.14984	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+2K-H"	76.91904
"607565"	572.26524	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+2K-H"	76.91904
"1094630"	242.03444	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2K-H"	76.91904
"152540"	204.078558	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"2M+2K"	77.926316
"592835"	286.636258	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"3M+2K"	77.926316
"1082084"	121.520858	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2K"	77.926316
"1110917"	244.048992	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2K+H"	78.933592
"1346571"	244.136607	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+DMSO+H"	79.021207
"1018018"	248.175776	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2ACN+H"	83.060376
"1533225"	249.169408	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+IsoProp+Na+H"	84.054008
"1000770"	124.591526	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+2ACN+2H"	84.067652
"1595270"	250.084028	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+K+HCOOH"	84.968628
"1425305"	280.115538	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+H+CF3COOH"	115.000138
"1161437"	145.104801	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+3ACN+2H"	125.094202
"1712080"	297.142085	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+NH4+CF3COOH"	132.026685
"1647366"	302.09748	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+Na+CF3COOH"	136.98208
"1586293"	318.07142	"C02765"	"()-Pseudoephedrine;Pseudoephedrine"	"C10H15NO"	"165.1154"	"M+K+CF3COOH"	152.95602
"806817"	134.0328	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M"	0
"977069"	115.01441	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H2O-H"	-19.01839
"64216"	88.347924	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-3H"	-3.021828
"510342"	133.025524	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-3H"	-3.021828
"884863"	43.670324	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-3H"	-3.021828
"12189"	133.025524	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H"	-2.014552
"450654"	200.041924	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H"	-2.014552
"826269"	66.009124	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H"	-2.014552
"82979"	267.058324	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-H"	-1.007276
"525820"	401.091124	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-H"	-1.007276
"905810"	133.025524	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H"	-1.007276
"51436"	284.084871	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H+NH4"	16.019271
"490997"	418.117671	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H+NH4"	16.019271
"879260"	150.052071	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H+NH4"	16.019271
"46064"	289.040266	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H+Na"	20.974666
"485016"	423.073066	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H+Na"	20.974666
"857350"	155.007466	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H+Na"	20.974666
"1623601"	155.007466	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na-2H"	20.974666
"104504"	151.013863	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-H+Cl"	33.962126
"535681"	218.030263	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-H+Cl"	33.962126
"928948"	83.997463	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+Cl"	33.962126
"270666"	303.035002	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Cl"	34.969402
"665274"	437.067802	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+Cl"	34.969402
"1280959"	169.002202	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl"	34.969402
"21330"	305.014206	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M-2H+K"	36.948606
"461983"	439.047006	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M-2H+K"	36.948606
"839783"	170.981406	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-2H+K"	36.948606
"1557807"	170.981406	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K-2H"	36.948606
"944228"	179.030994	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+HCOOH"	44.998194
"363178"	313.063801	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+HCOOH-H"	44.998201
"347182"	327.079451	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Hac-H"	59.013851
"1493825"	193.046651	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Hac-H"	59.013851
"959904"	201.012951	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+NaCOOH"	66.980151
"110883"	169.002202	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2Cl"	69.938804
"553725"	236.018602	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2Cl"	69.938804
"1022888"	101.985802	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2Cl"	69.938804
"1241738"	212.951685	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Br"	78.918885
"1305646"	215.007672	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl+HCOOH"	80.974872
"1323145"	236.989629	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl+NaCOOH"	102.956829
"914203"	247.018386	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M-H+CF3COOH"	112.985586
"1289330"	282.995064	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Cl+CF3COOH"	148.962264
"1368340"	99.020124	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H-2H2O"	-35.012676
"1386202"	117.0301	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H-H2O"	-17.0027
"286982"	269.072876	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H"	1.007276
"678676"	403.105676	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H"	1.007276
"1359408"	135.040076	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H"	1.007276
"132295"	135.040076	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2H"	2.014552
"567602"	202.056476	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2H"	2.014552
"1039073"	68.023676	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2H"	2.014552
"206487"	90.362476	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+3H"	3.021828
"647021"	135.040076	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+3H"	3.021828
"1163324"	45.684876	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+3H"	3.021828
"426238"	286.099423	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+NH4"	18.033823
"786259"	420.132223	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+NH4"	18.033823
"1681534"	152.066623	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+NH4"	18.033823
"331838"	143.5533495	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H+NH4"	19.041099
"724743"	210.5697495	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H+NH4"	19.041099
"1478322"	76.5369495	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+NH4"	19.041099
"393357"	291.054818	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Na"	22.989218
"763227"	425.087618	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+Na"	22.989218
"1610240"	157.022018	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na"	22.989218
"323565"	146.031047	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H+Na"	23.996494
"715986"	213.047447	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H+Na"	23.996494
"1474907"	79.014647	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+Na"	23.996494
"1059766"	53.01219	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2H+Na"	25.00377
"1265818"	167.066286	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+CH3OH+H"	33.033486
"385488"	307.028758	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+K"	38.963158
"744294"	441.061558	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+K"	38.963158
"1544160"	172.995958	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K"	38.963158
"311185"	154.018017	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+H+K"	39.970434
"706531"	221.034417	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+H+K"	39.970434
"1458163"	87.001617	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+K"	39.970434
"250775"	310.099426	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+ACN+H"	42.033826
"1224949"	176.066626	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+ACN+H"	42.033826
"1208824"	88.536951	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+ACN+2H"	43.041102
"202424"	313.03676	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2Na-H"	44.97116
"644011"	447.06956	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2Na-H"	44.97116
"1138563"	179.00396	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2Na-H"	44.97116
"176386"	157.022018	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2Na"	45.978436
"614853"	224.038418	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2Na"	45.978436
"1127109"	90.005618	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2Na"	45.978436
"1404436"	60.339504	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+2Na"	46.985712
"1442750"	181.045546	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+HCOOH"	47.012746
"226978"	162.05504	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+3H2O+2H"	56.04448
"1517229"	195.09759	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+IsoProp+H"	61.06479
"416914"	165.008988	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+Na+K"	61.952376
"771588"	232.025388	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+Na+K"	61.952376
"1678616"	97.992588	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na+K"	61.952376
"262946"	332.081368	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+ACN+Na"	64.015768
"1240528"	198.048568	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+ACN+Na"	64.015768
"1727102"	198.072093	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+NH4+HCOOH"	64.039293
"1193184"	67.666818	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+3Na"	68.967654
"1663079"	203.027488	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na+HCOOH"	68.994688
"169574"	344.98464	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2K-H"	76.91904
"606217"	479.01744	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2K-H"	76.91904
"1092554"	210.95184	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2K-H"	76.91904
"150828"	172.995958	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"2M+2K"	77.926316
"594402"	240.012358	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"3M+2K"	77.926316
"1080371"	105.979558	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2K"	77.926316
"1108841"	212.966392	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2K+H"	78.933592
"1345588"	213.054007	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+DMSO+H"	79.021207
"1017034"	217.093176	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2ACN+H"	83.060376
"1532242"	218.086808	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+IsoProp+Na+H"	84.054008
"999787"	109.050226	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+2ACN+2H"	84.067652
"1594287"	219.001428	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K+HCOOH"	84.968628
"1425415"	249.032938	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+H+CF3COOH"	115.000138
"1161178"	129.563501	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+3ACN+2H"	125.094202
"1712554"	266.059485	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+NH4+CF3COOH"	132.026685
"1648934"	271.01488	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+Na+CF3COOH"	136.98208
"1586403"	286.98882	"C02766"	"Ureidoglycolic acid;Ureidoglycolate"	"C3H6N2O4"	"134.0328"	"M+K+CF3COOH"	152.95602
"804741"	248.1412	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M"	0
"979365"	229.12281	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"77091"	164.420190666667	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"512640"	247.133924	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"892631"	81.7064573333333	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"7924"	247.133924	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"447485"	371.204524	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"826379"	123.063324	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"83089"	495.275124	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"522649"	743.416324	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"902640"	247.133924	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"54828"	512.301671	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"499859"	760.442871	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"878026"	264.160471	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"46948"	517.257066	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"486917"	765.398266	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"855273"	269.115866	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1623711"	269.115866	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"100239"	265.122263	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"535786"	389.192863	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"927842"	141.051663	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"271869"	531.251802	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"662831"	779.393002	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1277787"	283.110602	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"23626"	533.231006	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"459905"	781.372206	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"836983"	285.089806	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1559009"	285.089806	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"945804"	293.139394	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"364020"	541.280601	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"347172"	555.296251	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1493572"	307.155051	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"958545"	315.121351	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"112450"	283.110602	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"554564"	407.181202	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1022269"	159.040002	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1242211"	327.060085	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1305391"	329.116072	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1322891"	351.098029	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"914313"	361.126786	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1289558"	397.103464	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1369908"	213.128524	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1384853"	231.1385	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"283819"	497.289676	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"677701"	745.430876	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1358423"	249.148476	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"130220"	249.148476	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"569780"	373.219076	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1038941"	125.077876	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"207572"	166.434742666667	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"648229"	249.148476	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1164533"	83.7210093333333	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"424399"	514.316223	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"785667"	762.457423	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1682578"	266.175023	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"330164"	257.6617495	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"726561"	381.7323495	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1480380"	133.5911495	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"401252"	519.271618	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"763347"	767.412818	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1609261"	271.130418	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"328045"	260.139447	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"719375"	384.210047	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1475745"	136.068847	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1060969"	91.0483233333333	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1269210"	281.174686	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"385598"	535.245558	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"745497"	783.386758	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1553758"	287.104358	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"313372"	268.126417	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"706281"	392.197017	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1461195"	144.055817	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"251401"	538.316226	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1225523"	290.175026	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1209749"	145.591151	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"204037"	541.25356	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"638451"	789.39476	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1136487"	293.11236	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"179776"	271.130418	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"628426"	395.201018	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1131224"	147.059818	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1413661"	98.3756373333333	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1440674"	295.153946	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"235684"	276.16344	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1516245"	309.20599	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"418118"	279.117388	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"785542"	403.187988	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1679819"	155.046788	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"265246"	560.298168	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1241037"	312.156968	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1727209"	312.180493	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1192561"	105.702951333333	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1663551"	317.135888	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"170048"	573.20144	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"609239"	821.34264	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1096309"	325.06024	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"152033"	287.104358	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"589407"	411.174958	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1079389"	163.033758	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1107130"	327.074792	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1346427"	327.162407	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1016417"	331.201576	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1534542"	332.195208	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"1000992"	166.104426	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1600599"	333.109828	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1428815"	363.141338	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1162549"	186.617701	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1711937"	380.167885	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1648678"	385.12328	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1579953"	401.09722	"C02771"	"12-Dihydrosantonin;12-Dihydro-alpha-santonin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"807039"	188.1412	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M"	0
"982764"	169.12281	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-H2O-H"	-19.01839
"75378"	124.420190666667	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M-3H"	-3.021828
"516033"	187.133924	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M-3H"	-3.021828
"889459"	61.7064573333333	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-3H"	-3.021828
"3660"	187.133924	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M-2H"	-2.014552
"447594"	281.204524	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M-2H"	-2.014552
"819928"	93.063324	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-2H"	-2.014552
"78821"	375.275124	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M-H"	-1.007276
"519480"	563.416324	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M-H"	-1.007276
"907129"	187.133924	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-H"	-1.007276
"61142"	392.301671	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M-2H+NH4"	16.019271
"499242"	580.442871	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M-2H+NH4"	16.019271
"871213"	204.160471	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-2H+NH4"	16.019271
"42395"	397.257066	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M-2H+Na"	20.974666
"483048"	585.398266	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M-2H+Na"	20.974666
"861213"	209.115866	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-2H+Na"	20.974666
"1618715"	209.115866	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Na-2H"	20.974666
"94756"	205.122263	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M-H+Cl"	33.962126
"535289"	299.192863	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M-H+Cl"	33.962126
"928072"	111.051663	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-H+Cl"	33.962126
"267966"	411.251802	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+Cl"	34.969402
"660996"	599.393002	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+Cl"	34.969402
"1273522"	223.110602	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Cl"	34.969402
"15831"	413.231006	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M-2H+K"	36.948606
"456205"	601.372206	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M-2H+K"	36.948606
"833809"	225.089806	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-2H+K"	36.948606
"1559126"	225.089806	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+K-2H"	36.948606
"945912"	233.139394	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-H+HCOOH"	44.998194
"364130"	421.280601	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+HCOOH-H"	44.998201
"346918"	435.296251	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+Hac-H"	59.013851
"1493925"	247.155051	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Hac-H"	59.013851
"959279"	255.121351	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-H+NaCOOH"	66.980151
"110738"	223.110602	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+2Cl"	69.938804
"553579"	317.181202	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+2Cl"	69.938804
"1023112"	129.040002	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2Cl"	69.938804
"1243414"	267.060085	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Br"	78.918885
"1305259"	269.116072	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Cl+HCOOH"	80.974872
"1321534"	291.098029	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Cl+NaCOOH"	102.956829
"912593"	301.126786	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M-H+CF3COOH"	112.985586
"1289665"	337.103464	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Cl+CF3COOH"	148.962264
"1370018"	153.128524	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H-2H2O"	-35.012676
"1392265"	171.1385	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H-H2O"	-17.0027
"284297"	377.289676	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+H"	1.007276
"675784"	565.430876	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+H"	1.007276
"1354160"	189.148476	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H"	1.007276
"126680"	189.148476	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+2H"	2.014552
"567701"	283.219076	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+2H"	2.014552
"1038688"	95.077876	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2H"	2.014552
"214251"	126.434742666667	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+3H"	3.021828
"648341"	189.148476	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+3H"	3.021828
"1166466"	63.7210093333333	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+3H"	3.021828
"427552"	394.316223	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+NH4"	18.033823
"786357"	582.457423	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+NH4"	18.033823
"1682809"	206.175023	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+NH4"	18.033823
"330352"	197.6617495	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+H+NH4"	19.041099
"724483"	291.7323495	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+H+NH4"	19.041099
"1477224"	103.5911495	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H+NH4"	19.041099
"398077"	399.271618	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+Na"	22.989218
"762360"	587.412818	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+Na"	22.989218
"1610459"	211.130418	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Na"	22.989218
"317213"	200.139447	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+H+Na"	23.996494
"720580"	294.210047	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+H+Na"	23.996494
"1474398"	106.068847	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H+Na"	23.996494
"1064366"	71.0483233333333	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2H+Na"	25.00377
"1271754"	221.174686	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+CH3OH+H"	33.033486
"389718"	415.245558	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+K"	38.963158
"751089"	603.386758	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+K"	38.963158
"1553505"	227.104358	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+K"	38.963158
"312870"	208.126417	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+H+K"	39.970434
"703829"	302.197017	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+H+K"	39.970434
"1459110"	114.055817	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H+K"	39.970434
"246255"	418.316226	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+ACN+H"	42.033826
"1223704"	230.175026	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+ACN+H"	42.033826
"1202848"	115.591151	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+ACN+2H"	43.041102
"200096"	421.25356	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+2Na-H"	44.97116
"638562"	609.39476	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+2Na-H"	44.97116
"1139880"	233.11236	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2Na-H"	44.97116
"188120"	211.130418	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+2Na"	45.978436
"627113"	305.201018	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+2Na"	45.978436
"1131293"	117.059818	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2Na"	45.978436
"1413535"	78.3756373333333	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H+2Na"	46.985712
"1443702"	235.153946	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H+HCOOH"	47.012746
"235652"	216.16344	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+3H2O+2H"	56.04448
"1518542"	249.20599	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+IsoProp+H"	61.06479
"422245"	219.117388	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+Na+K"	61.952376
"785479"	313.187988	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+Na+K"	61.952376
"1681272"	125.046788	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Na+K"	61.952376
"266779"	440.298168	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+ACN+Na"	64.015768
"1239161"	252.156968	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+ACN+Na"	64.015768
"1724767"	252.180493	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+NH4+HCOOH"	64.039293
"1191576"	85.7029513333333	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+3Na"	68.967654
"1660750"	257.135888	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Na+HCOOH"	68.994688
"166877"	453.20144	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+2K-H"	76.91904
"610818"	641.34264	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+2K-H"	76.91904
"1093139"	265.06024	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2K-H"	76.91904
"154334"	227.104358	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"2M+2K"	77.926316
"590247"	321.174958	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"3M+2K"	77.926316
"1077306"	133.033758	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2K"	77.926316
"1109425"	267.074792	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2K+H"	78.933592
"1345445"	267.162407	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+DMSO+H"	79.021207
"1014341"	271.201576	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2ACN+H"	83.060376
"1534651"	272.195208	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+IsoProp+Na+H"	84.054008
"1000736"	136.104426	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+2ACN+2H"	84.067652
"1602586"	273.109828	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+K+HCOOH"	84.968628
"1429660"	303.141338	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+H+CF3COOH"	115.000138
"1155934"	156.617701	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+3ACN+2H"	125.094202
"1706578"	320.167885	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+NH4+CF3COOH"	132.026685
"1645507"	325.12328	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+Na+CF3COOH"	136.98208
"1576784"	341.09722	"C02774"	"10-Hydroxydecanoic acid;10-Hydroxydecanoate"	"C10H20O3"	"188.1412"	"M+K+CF3COOH"	152.95602
"807149"	149.0477	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M"	0
"983967"	130.02931	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-H2O-H"	-19.01839
"75488"	98.3578573333333	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M-3H"	-3.021828
"516143"	148.040424	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M-3H"	-3.021828
"886289"	48.6752906666667	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-3H"	-3.021828
"4864"	148.040424	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M-2H"	-2.014552
"447705"	222.564274	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M-2H"	-2.014552
"823319"	73.516574	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-2H"	-2.014552
"79056"	297.088124	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M-H"	-1.007276
"521779"	446.135824	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M-H"	-1.007276
"906872"	148.040424	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-H"	-1.007276
"58698"	314.114671	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M-2H+NH4"	16.019271
"499352"	463.162371	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M-2H+NH4"	16.019271
"871323"	165.066971	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-2H+NH4"	16.019271
"44449"	319.070066	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M-2H+Na"	20.974666
"483158"	468.117766	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M-2H+Na"	20.974666
"861687"	170.022366	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-2H+Na"	20.974666
"1619919"	170.022366	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Na-2H"	20.974666
"96448"	166.028763	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M-H+Cl"	33.962126
"536007"	240.552613	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M-H+Cl"	33.962126
"927653"	91.504913	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-H+Cl"	33.962126
"267706"	333.064802	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+Cl"	34.969402
"661957"	482.112502	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+Cl"	34.969402
"1276184"	184.017102	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Cl"	34.969402
"19105"	335.044006	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M-2H+K"	36.948606
"458303"	484.091706	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M-2H+K"	36.948606
"837563"	185.996306	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-2H+K"	36.948606
"1558143"	185.996306	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+K-2H"	36.948606
"944563"	194.045894	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-H+HCOOH"	44.998194
"363875"	343.093601	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+HCOOH-H"	44.998201
"348483"	357.109251	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+Hac-H"	59.013851
"1495492"	208.061551	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Hac-H"	59.013851
"958691"	216.027851	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-H+NaCOOH"	66.980151
"110080"	184.017102	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+2Cl"	69.938804
"553689"	258.540952	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+2Cl"	69.938804
"1022123"	109.493252	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2Cl"	69.938804
"1243162"	227.966585	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Br"	78.918885
"1305611"	230.022572	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Cl+HCOOH"	80.974872
"1322012"	252.004529	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Cl+NaCOOH"	102.956829
"912096"	262.033286	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M-H+CF3COOH"	112.985586
"1290508"	298.009964	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Cl+CF3COOH"	148.962264
"1369763"	114.035024	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H-2H2O"	-35.012676
"1393468"	132.045	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H-H2O"	-17.0027
"287689"	299.102676	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+H"	1.007276
"677431"	448.150376	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+H"	1.007276
"1354270"	150.054976	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H"	1.007276
"128616"	150.054976	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+2H"	2.014552
"567444"	224.578826	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+2H"	2.014552
"1039160"	75.531126	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2H"	2.014552
"211081"	100.372409333333	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+3H"	3.021828
"648815"	150.054976	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+3H"	3.021828
"1165481"	50.6898426666667	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+3H"	3.021828
"428025"	316.129223	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+NH4"	18.033823
"787559"	465.176923	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+NH4"	18.033823
"1682796"	167.081523	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+NH4"	18.033823
"330706"	158.5682495	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+H+NH4"	19.041099
"725686"	233.0920995	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+H+NH4"	19.041099
"1477917"	84.0443995	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H+NH4"	19.041099
"393562"	321.084618	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+Na"	22.989218
"759185"	470.132318	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+Na"	22.989218
"1606556"	172.036918	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Na"	22.989218
"320602"	161.045947	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+H+Na"	23.996494
"715217"	235.569797	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+H+Na"	23.996494
"1473414"	86.522097	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H+Na"	23.996494
"1067027"	58.0171566666667	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2H+Na"	25.00377
"1270526"	182.081186	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+CH3OH+H"	33.033486
"386912"	337.058558	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+K"	38.963158
"751200"	486.106258	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+K"	38.963158
"1554103"	188.010858	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+K"	38.963158
"312982"	169.032917	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+H+K"	39.970434
"703574"	243.556767	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+H+K"	39.970434
"1460558"	94.509067	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H+K"	39.970434
"247825"	340.129226	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+ACN+H"	42.033826
"1221627"	191.081526	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+ACN+H"	42.033826
"1208427"	96.044401	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+ACN+2H"	43.041102
"200206"	343.06656	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+2Na-H"	44.97116
"638672"	492.11426	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+2Na-H"	44.97116
"1141083"	194.01886	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2Na-H"	44.97116
"185841"	172.036918	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+2Na"	45.978436
"626494"	246.560768	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+2Na"	45.978436
"1130362"	97.513068	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2Na"	45.978436
"1410603"	65.3444706666667	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H+2Na"	46.985712
"1441986"	196.060446	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H+HCOOH"	47.012746
"234240"	177.06994	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+3H2O+2H"	56.04448
"1516465"	210.11249	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+IsoProp+H"	61.06479
"421263"	180.023888	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+Na+K"	61.952376
"785295"	254.547738	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+Na+K"	61.952376
"1680654"	105.500038	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Na+K"	61.952376
"265474"	362.111168	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+ACN+Na"	64.015768
"1238908"	213.063468	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+ACN+Na"	64.015768
"1724512"	213.086993	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+NH4+HCOOH"	64.039293
"1189136"	72.6717846666667	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+3Na"	68.967654
"1658664"	218.042388	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Na+HCOOH"	68.994688
"167352"	375.01444	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+2K-H"	76.91904
"611535"	524.06214	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+2K-H"	76.91904
"1092521"	225.96674	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2K-H"	76.91904
"155416"	188.010858	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"2M+2K"	77.926316
"590357"	262.534708	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"3M+2K"	77.926316
"1075595"	113.487008	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2K"	77.926316
"1109898"	227.981292	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2K+H"	78.933592
"1346284"	228.068907	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+DMSO+H"	79.021207
"1017002"	232.108076	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2ACN+H"	83.060376
"1534032"	233.101708	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+IsoProp+Na+H"	84.054008
"1000117"	116.557676	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+2ACN+2H"	84.067652
"1602695"	234.016328	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+K+HCOOH"	84.968628
"1429404"	264.047838	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+H+CF3COOH"	115.000138
"1160418"	137.070951	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+3ACN+2H"	125.094202
"1706688"	281.074385	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+NH4+CF3COOH"	132.026685
"1645617"	286.02978	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+Na+CF3COOH"	136.98208
"1576894"	302.00372	"C02775"	"23-Dihydroxyindole;Dihydroxyindole"	"C8H7NO2"	"149.0477"	"M+K+CF3COOH"	152.95602
"807259"	114.0429	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M"	0
"987357"	95.02451	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-H2O-H"	-19.01839
"76691"	75.021324	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M-3H"	-3.021828
"516253"	113.035624	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M-3H"	-3.021828
"885306"	37.007024	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-3H"	-3.021828
"4974"	113.035624	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M-2H"	-2.014552
"446722"	170.057074	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M-2H"	-2.014552
"823429"	56.014174	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-2H"	-2.014552
"80623"	227.078524	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M-H"	-1.007276
"521889"	341.121424	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M-H"	-1.007276
"905159"	113.035624	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-H"	-1.007276
"57348"	244.105071	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M-2H+NH4"	16.019271
"494722"	358.147971	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M-2H+NH4"	16.019271
"872526"	130.062171	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-2H+NH4"	16.019271
"45410"	249.060466	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M-2H+Na"	20.974666
"483268"	363.103366	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M-2H+Na"	20.974666
"858881"	135.017566	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-2H+Na"	20.974666
"1619301"	135.017566	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Na-2H"	20.974666
"97287"	131.023963	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M-H+Cl"	33.962126
"536846"	188.045413	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M-H+Cl"	33.962126
"929630"	74.002513	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-H+Cl"	33.962126
"268427"	263.055202	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+Cl"	34.969402
"661092"	377.098102	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+Cl"	34.969402
"1278846"	149.012302	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Cl"	34.969402
"25413"	265.034406	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M-2H+K"	36.948606
"458413"	379.077306	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M-2H+K"	36.948606
"836580"	150.991506	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-2H+K"	36.948606
"1557160"	150.991506	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+K-2H"	36.948606
"944673"	159.041094	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-H+HCOOH"	44.998194
"363257"	273.084001	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+HCOOH-H"	44.998201
"349322"	287.099651	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+Hac-H"	59.013851
"1495967"	173.056751	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Hac-H"	59.013851
"958519"	181.023051	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-H+NaCOOH"	66.980151
"111685"	149.012302	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+2Cl"	69.938804
"554530"	206.033752	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+2Cl"	69.938804
"1025516"	91.990852	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2Cl"	69.938804
"1244000"	192.961785	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Br"	78.918885
"1305720"	195.017772	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Cl+HCOOH"	80.974872
"1321393"	216.999729	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Cl+NaCOOH"	102.956829
"913544"	227.028486	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M-H+CF3COOH"	112.985586
"1290255"	263.005164	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Cl+CF3COOH"	148.962264
"1369143"	79.030224	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H-2H2O"	-35.012676
"1390296"	97.0402	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H-H2O"	-17.0027
"288892"	229.093076	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+H"	1.007276
"678028"	343.135976	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+H"	1.007276
"1354013"	115.050176	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H"	1.007276
"127996"	115.050176	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+2H"	2.014552
"566947"	172.071626	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+2H"	2.014552
"1038906"	58.028726	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2H"	2.014552
"209003"	77.035876	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+3H"	3.021828
"648560"	115.050176	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+3H"	3.021828
"1165591"	39.021576	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+3H"	3.021828
"427770"	246.119623	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+NH4"	18.033823
"788033"	360.162523	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+NH4"	18.033823
"1682906"	132.076723	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+NH4"	18.033823
"330695"	123.5634495	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+H+NH4"	19.041099
"725067"	180.5848995	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+H+NH4"	19.041099
"1477546"	66.5419995	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H+NH4"	19.041099
"392908"	251.075018	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+Na"	22.989218
"760388"	365.117918	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+Na"	22.989218
"1609214"	137.032118	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Na"	22.989218
"320712"	126.041147	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+H+Na"	23.996494
"713141"	183.062597	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+H+Na"	23.996494
"1472431"	69.019697	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H+Na"	23.996494
"1065317"	46.34889	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2H+Na"	25.00377
"1269910"	147.076386	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+CH3OH+H"	33.033486
"387022"	267.048958	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+K"	38.963158
"752039"	381.091858	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+K"	38.963158
"1552997"	153.006058	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+K"	38.963158
"312362"	134.028117	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+H+K"	39.970434
"704413"	191.049567	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+H+K"	39.970434
"1459331"	77.006667	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H+K"	39.970434
"249394"	270.119626	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+ACN+H"	42.033826
"1224653"	156.076726	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+ACN+H"	42.033826
"1208537"	78.542001	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+ACN+2H"	43.041102
"201775"	273.05696	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+2Na-H"	44.97116
"638418"	387.09986	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+2Na-H"	44.97116
"1141193"	159.01406	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2Na-H"	44.97116
"185587"	137.032118	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+2Na"	45.978436
"623324"	194.053568	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+2Na"	45.978436
"1130108"	80.010668	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2Na"	45.978436
"1409985"	53.676204	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H+2Na"	46.985712
"1442096"	161.055646	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H+HCOOH"	47.012746
"228514"	142.06514	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+3H2O+2H"	56.04448
"1516575"	175.10769	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+IsoProp+H"	61.06479
"421737"	145.019088	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+Na+K"	61.952376
"782000"	202.040538	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+Na+K"	61.952376
"1680521"	87.997638	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Na+K"	61.952376
"265948"	292.101568	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+ACN+Na"	64.015768
"1236831"	178.058668	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+ACN+Na"	64.015768
"1723166"	178.082193	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+NH4+HCOOH"	64.039293
"1188518"	61.003518	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+3Na"	68.967654
"1658047"	183.037588	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Na+HCOOH"	68.994688
"167463"	305.00484	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+2K-H"	76.91904
"609944"	419.04774	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+2K-H"	76.91904
"1092996"	190.96194	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2K-H"	76.91904
"154554"	153.006058	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"2M+2K"	77.926316
"590466"	210.027508	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"3M+2K"	77.926316
"1075339"	95.984608	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2K"	77.926316
"1110736"	192.976492	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2K+H"	78.933592
"1347123"	193.064107	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+DMSO+H"	79.021207
"1016381"	197.103276	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2ACN+H"	83.060376
"1534141"	198.096908	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+IsoProp+Na+H"	84.054008
"999134"	99.055276	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+2ACN+2H"	84.067652
"1602399"	199.011528	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+K+HCOOH"	84.968628
"1429755"	229.043038	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+H+CF3COOH"	115.000138
"1159434"	119.568551	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+3ACN+2H"	125.094202
"1708985"	246.069585	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+NH4+CF3COOH"	132.026685
"1644634"	251.02498	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+Na+CF3COOH"	136.98208
"1577004"	266.99892	"C02777"	"25-Dioxopiperazine;Diketopiperazine;25-Diazacyclohexane-14-dione;25-Piperazinedione;Glycine anhydride"	"C4H6N2O2"	"114.0429"	"M+K+CF3COOH"	152.95602
"807369"	223.0997	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M"	0
"986374"	204.08131	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-H2O-H"	-19.01839
"76801"	147.725857333333	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M-3H"	-3.021828
"516363"	222.092424	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M-3H"	-3.021828
"888696"	73.3592906666667	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-3H"	-3.021828
"7271"	222.092424	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M-2H"	-2.014552
"446832"	333.642274	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M-2H"	-2.014552
"825726"	110.542574	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-2H"	-2.014552
"81341"	445.192124	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M-H"	-1.007276
"524186"	668.291824	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M-H"	-1.007276
"905269"	222.092424	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-H"	-1.007276
"57458"	462.218671	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M-2H+NH4"	16.019271
"494831"	685.318371	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M-2H+NH4"	16.019271
"875916"	239.118971	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-2H+NH4"	16.019271
"46613"	467.174066	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M-2H+Na"	20.974666
"483378"	690.273766	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M-2H+Na"	20.974666
"858991"	244.074366	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-2H+Na"	20.974666
"1623055"	244.074366	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Na-2H"	20.974666
"97397"	240.080763	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M-H+Cl"	33.962126
"536956"	351.630613	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M-H+Cl"	33.962126
"930469"	128.530913	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-H+Cl"	33.962126
"268296"	481.168802	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+Cl"	34.969402
"662907"	704.268502	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+Cl"	34.969402
"1279321"	258.069102	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Cl"	34.969402
"21149"	483.148006	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M-2H+K"	36.948606
"459618"	706.247706	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M-2H+K"	36.948606
"835963"	260.048306	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-2H+K"	36.948606
"1557634"	260.048306	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+K-2H"	36.948606
"945149"	268.097894	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-H+HCOOH"	44.998194
"364095"	491.197601	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+HCOOH-H"	44.998201
"348341"	505.213251	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+Hac-H"	59.013851
"1494986"	282.113551	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Hac-H"	59.013851
"959483"	290.079851	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-H+NaCOOH"	66.980151
"111796"	258.069102	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+2Cl"	69.938804
"554276"	369.618952	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+2Cl"	69.938804
"1028543"	146.519252	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2Cl"	69.938804
"1243019"	302.018585	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Br"	78.918885
"1306560"	304.074572	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Cl+HCOOH"	80.974872
"1322231"	326.056529	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Cl+NaCOOH"	102.956829
"914383"	336.085286	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M-H+CF3COOH"	112.985586
"1289271"	372.061964	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Cl+CF3COOH"	148.962264
"1370712"	188.087024	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H-2H2O"	-35.012676
"1393686"	206.097	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H-H2O"	-17.0027
"284628"	447.206676	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+H"	1.007276
"677774"	670.306376	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+H"	1.007276
"1351339"	224.106976	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H"	1.007276
"125863"	224.106976	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+2H"	2.014552
"565854"	335.656826	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+2H"	2.014552
"1039382"	112.557126	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2H"	2.014552
"204387"	149.740409333333	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+3H"	3.021828
"647576"	224.106976	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+3H"	3.021828
"1167888"	75.3738426666667	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+3H"	3.021828
"427880"	464.233223	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+NH4"	18.033823
"787415"	687.332923	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+NH4"	18.033823
"1681433"	241.133523	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+NH4"	18.033823
"330926"	232.6202495	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+H+NH4"	19.041099
"723230"	344.1700995	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+H+NH4"	19.041099
"1477537"	121.0703995	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H+NH4"	19.041099
"393179"	469.188618	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+Na"	22.989218
"765965"	692.288318	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+Na"	22.989218
"1611878"	246.088918	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Na"	22.989218
"320819"	235.097947	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+H+Na"	23.996494
"714337"	346.647797	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+H+Na"	23.996494
"1468165"	123.548097	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H+Na"	23.996494
"1067978"	82.7011566666667	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2H+Na"	25.00377
"1271113"	256.133186	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+CH3OH+H"	33.033486
"388225"	485.162558	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+K"	38.963158
"753927"	708.262258	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+K"	38.963158
"1555132"	262.062858	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+K"	38.963158
"310643"	243.084917	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+H+K"	39.970434
"704158"	354.634767	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+H+K"	39.970434
"1459077"	131.535067	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H+K"	39.970434
"251297"	488.233226	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+ACN+H"	42.033826
"1224162"	265.133526	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+ACN+H"	42.033826
"1209847"	133.070401	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+ACN+2H"	43.041102
"202738"	491.17056	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+2Na-H"	44.97116
"643146"	714.27026	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+2Na-H"	44.97116
"1146042"	268.07086	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2Na-H"	44.97116
"183145"	246.088918	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+2Na"	45.978436
"624165"	357.638768	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+2Na"	45.978436
"1128761"	134.539068	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2Na"	45.978436
"1411188"	90.0284706666667	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H+2Na"	46.985712
"1443299"	270.112446	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H+HCOOH"	47.012746
"231904"	251.12194	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+3H2O+2H"	56.04448
"1515592"	284.16449	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+IsoProp+H"	61.06479
"422577"	254.075888	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+Na+K"	61.952376
"782475"	365.625738	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+Na+K"	61.952376
"1679538"	142.526038	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Na+K"	61.952376
"266628"	510.215168	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+ACN+Na"	64.015768
"1237307"	287.115468	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+ACN+Na"	64.015768
"1723274"	287.138993	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+NH4+HCOOH"	64.039293
"1189355"	97.3557846666667	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+3Na"	68.967654
"1658153"	292.094388	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Na+HCOOH"	68.994688
"168667"	523.11844	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+2K-H"	76.91904
"611148"	746.21814	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+2K-H"	76.91904
"1093836"	300.01874	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2K-H"	76.91904
"155639"	262.062858	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"2M+2K"	77.926316
"591671"	373.612708	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"3M+2K"	77.926316
"1080189"	150.513008	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2K"	77.926316
"1110483"	302.033292	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2K+H"	78.933592
"1347232"	302.120907	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+DMSO+H"	79.021207
"1017948"	306.160076	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2ACN+H"	83.060376
"1534979"	307.153708	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+IsoProp+Na+H"	84.054008
"1000337"	153.583676	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+2ACN+2H"	84.067652
"1602385"	308.068328	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+K+HCOOH"	84.968628
"1428891"	338.099838	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+H+CF3COOH"	115.000138
"1159544"	174.096951	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+3ACN+2H"	125.094202
"1709095"	355.126385	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+NH4+CF3COOH"	132.026685
"1645837"	360.08178	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+Na+CF3COOH"	136.98208
"1577114"	376.05572	"C02778"	"2-Acetamidofluorene;N-2-Fluorenylacetamide"	"C15H13NO"	"223.0997"	"M+K+CF3COOH"	152.95602
"807479"	178.0477	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M"	0
"985391"	159.02931	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"75818"	117.691190666667	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"514286"	177.040424	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"888806"	58.3419573333333	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"4101"	177.040424	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"448035"	266.064274	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"825836"	88.016574	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"83638"	355.088124	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"524296"	533.135824	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"899912"	177.040424	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"54288"	372.114671	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"494941"	550.162371	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"872746"	194.066971	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"43927"	377.070066	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"483488"	555.117766	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"859101"	199.022366	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1624259"	199.022366	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"99694"	195.028763	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"537431"	284.052613	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"929852"	106.004913	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"273512"	391.064802	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"667027"	569.112502	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1284900"	213.017102	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"28552"	393.044006	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"457541"	571.091706	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"836073"	214.996306	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1558473"	214.996306	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"945259"	223.045894	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"364570"	401.093601	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"349545"	415.109251	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1495096"	237.061551	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"961907"	245.027851	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"111907"	213.017102	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"555481"	302.040952	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1027561"	123.993252	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1243859"	256.966585	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1309588"	259.022572	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1321251"	281.004529	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"913769"	291.033286	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1289017"	327.009964	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1369001"	143.035024	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1393796"	161.045	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"284738"	357.102676	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"680436"	535.150376	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1352410"	179.054976	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"127487"	179.054976	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"567046"	268.078826	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1039128"	90.031126	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"204960"	119.705742666667	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"646593"	179.054976	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1166904"	60.3565093333333	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"426895"	374.129223	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"788618"	552.176923	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1681373"	196.081523	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"330589"	187.5682495	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"723411"	276.5920995	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1477111"	98.5443995	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"392995"	379.084618	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"760971"	557.132318	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1603112"	201.036918	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"316919"	190.045947	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"710070"	279.069797	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1463897"	101.022097	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1065897"	67.6838233333333	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1266483"	211.081186	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"382868"	395.058558	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"750430"	573.106258	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1555281"	217.010858	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"309658"	198.032917	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"704268"	287.056767	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1453713"	109.009067	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"251325"	398.129226	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1225507"	220.081526	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1208394"	110.544401	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"197986"	401.06656	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"637907"	579.11426	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1143601"	223.01886	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"186898"	201.036918	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"626092"	290.060768	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1129597"	112.013068	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1410201"	75.0111373333333	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1443409"	225.060446	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"232008"	206.06994	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1516792"	239.11249	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"419763"	209.023888	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"782582"	298.047738	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1673810"	120.000038	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"261423"	420.111168	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1234130"	242.063468	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1719734"	242.086993	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1188367"	82.3384513333333	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1656076"	247.042388	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"166222"	433.01444	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"609799"	611.06214	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1093577"	254.96674	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"151492"	217.010858	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"589955"	306.034708	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1077747"	127.987008	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1105488"	256.981292	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1346248"	257.068907	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1013684"	261.108076	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1531809"	262.101708	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1000444"	131.057676	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1596049"	263.016328	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1421708"	293.047838	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1159652"	151.570951	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1701550"	310.074385	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1642666"	315.02978	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1577224"	331.00372	"C02779"	"2-Dehydro-D-glucose"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"807589"	192.027	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M"	0
"985501"	173.00861	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"73741"	127.010724	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"514396"	191.019724	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"888916"	63.001724	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"5304"	191.019724	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"450332"	287.033224	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"825946"	95.006224	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"84842"	383.046724	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"525499"	575.073724	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"900022"	191.019724	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"54398"	400.073271	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"497239"	592.100271	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"869939"	208.046271	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"44037"	405.028666	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"484937"	597.055666	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"859212"	213.001666	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1626558"	213.001666	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"98710"	209.008063	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"540456"	305.021563	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"930693"	112.994563	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"272530"	419.023402	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"669326"	611.050402	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1286835"	226.996402	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"23195"	421.002606	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"457285"	613.029606	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"835091"	228.975606	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1558582"	228.975606	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"942952"	237.025194	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"363587"	429.052201	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"346416"	443.067851	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1493140"	251.040851	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"960556"	259.007151	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"111288"	226.996402	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"555592"	323.009902	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1028765"	130.982902	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1248344"	270.945885	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1310793"	273.001872	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1322822"	294.983829	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"919348"	305.012586	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1289496"	340.989264	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1367290"	157.014324	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1382801"	175.0243	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"285207"	385.061276	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"678359"	577.088276	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1353615"	193.034276	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H"	1.007276
"126625"	193.034276	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"568249"	289.047776	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1040695"	97.020776	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"207137"	129.025276	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"650349"	193.034276	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1167746"	65.016276	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"427371"	402.087823	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"787635"	594.114823	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1681528"	210.060823	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"330901"	201.5475495	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"722958"	297.5610495	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1477505"	105.5340495	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"393190"	407.043218	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"760717"	599.070218	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1604437"	215.016218	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"317029"	204.025247	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"710180"	300.038747	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1464007"	108.011747	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1061635"	72.34359	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1267686"	225.060486	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"382978"	423.017158	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"750540"	615.044158	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1555517"	230.990158	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+K"	38.963158
"308675"	212.012217	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"705107"	308.025717	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1454916"	115.998717	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"250696"	426.087826	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1224866"	234.060826	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1209112"	117.534051	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"195180"	429.02516	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"638017"	621.05216	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1144441"	236.99816	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"185915"	215.016218	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"624016"	311.029718	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1128978"	119.002718	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1410676"	79.670904	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1442426"	239.039746	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"233211"	220.04924	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1517995"	253.09179	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"420966"	223.003188	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"781600"	319.016688	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1673920"	126.989688	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"262625"	448.069768	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1237519"	256.042768	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1720937"	256.066293	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1189208"	86.998218	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1656550"	261.021688	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"165968"	460.97304	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"608815"	653.00004	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1091865"	268.94604	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"152695"	230.990158	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"591158"	327.003658	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1074577"	134.976658	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1105598"	270.960592	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1345994"	271.048207	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1012700"	275.087376	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1533014"	276.081008	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"1001647"	138.047326	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1597246"	276.995628	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1421817"	307.027138	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1157574"	158.560601	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1710405"	324.053685	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1642776"	329.00908	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1577334"	344.98302	"C02780"	"25-Didehydro-D-gluconate;25-Diketogluconic acid"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"807699"	164.0685	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M"	0
"984518"	145.05011	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"72758"	108.371724	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"513413"	163.061224	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"886839"	53.682224	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"5414"	163.061224	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"447162"	245.095474	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"822776"	81.026974	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"82765"	327.129724	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"525608"	491.198224	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"901225"	163.061224	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"54872"	344.156271	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"498442"	508.224771	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"870049"	180.087771	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"40867"	349.111666	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"484804"	513.180166	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"859322"	185.043166	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1626668"	185.043166	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"99914"	181.049563	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"539473"	263.083813	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"930802"	99.015313	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"271546"	363.106402	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"669435"	527.174902	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1282934"	199.037902	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"21118"	365.085606	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"459581"	529.154106	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"834467"	201.017106	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1557234"	201.017106	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"943780"	209.066694	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"362967"	373.135201	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"347213"	387.150851	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1494223"	223.082351	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"959328"	231.048651	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"110665"	199.037902	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"554608"	281.072152	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1028875"	117.003652	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1246267"	242.987385	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1310903"	245.043372	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1322932"	267.025329	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"920551"	277.054086	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1291793"	313.030764	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1368614"	129.055824	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1385625"	147.0658	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"284953"	329.144276	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"678470"	493.212776	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1353724"	165.075776	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"127342"	165.075776	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"571639"	247.110026	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1041535"	83.041526	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"207247"	110.386276	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"650459"	165.075776	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1168585"	55.696776	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"428210"	346.170823	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"787381"	510.239323	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1681518"	182.102323	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"332714"	173.5890495	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"723556"	255.6232995	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1477046"	91.5547995	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"393627"	351.126218	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"761920"	515.194718	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1604547"	187.057718	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"315682"	176.066747	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"710290"	258.100997	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1465210"	94.032497	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1061745"	63.02409	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1263422"	197.101986	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"380900"	367.100158	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"747370"	531.168658	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1553439"	203.031658	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"308785"	184.053717	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"704853"	266.087967	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1453933"	102.019467	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"250441"	370.170826	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1224489"	206.102326	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1206790"	103.554801	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"193468"	373.10816	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"638127"	537.17666	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1141633"	209.03966	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"183833"	187.057718	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"625583"	269.091968	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1124712"	105.023468	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1408234"	70.351404	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1442536"	211.081246	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"228948"	192.09074	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1514825"	225.13329	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"422169"	195.044688	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"782438"	277.078938	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1676216"	113.010438	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"260547"	392.152768	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1233256"	228.084268	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1721047"	228.107793	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1191138"	77.678718	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1657389"	233.063188	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"165349"	405.05604	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"606006"	569.12454	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1092704"	240.98754	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"152805"	203.031658	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"591268"	285.065908	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1076873"	120.997408	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1105708"	243.002092	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1346468"	243.089707	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1012810"	247.128876	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1534217"	248.122508	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1001757"	124.068076	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1597356"	249.037128	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1421927"	279.068638	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1158777"	144.581351	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1709422"	296.095185	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1642886"	301.05058	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1577444"	317.02452	"C02781"	"2-Deoxy-D-galactose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"807809"	180.0634	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M"	0
"985721"	161.04501	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"72868"	119.034990666667	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"513523"	179.056124	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"886949"	59.0138573333333	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"5524"	179.056124	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"448365"	269.087824	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"823979"	89.024424	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"87249"	359.119524	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"523532"	539.182924	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"902429"	179.056124	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"51337"	376.146071	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"498553"	556.209471	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"875261"	196.082671	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"40975"	381.101466	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"475067"	561.164866	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"856151"	201.038066	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1622403"	201.038066	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"98931"	197.044463	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"539583"	287.076163	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"930912"	107.012763	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"274937"	395.096202	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"669545"	575.159602	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1283044"	215.032802	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"21228"	397.075406	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"458963"	577.138806	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"837857"	217.012006	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1556730"	217.012006	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"945591"	225.061594	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"362713"	405.125001	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"346596"	419.140651	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1494084"	239.077251	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"960530"	247.043551	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"111140"	215.032802	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"551438"	305.064502	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1028985"	125.001102	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1246378"	258.982285	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1309920"	261.038272	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1326323"	283.020229	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"920662"	293.048986	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1292996"	329.025664	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1368970"	145.050724	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1383913"	163.0607	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"283033"	361.134076	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"676392"	541.197476	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1351646"	181.070676	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"125993"	181.070676	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"568471"	271.102376	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1040552"	91.038976	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"208814"	121.049542666667	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"650569"	181.070676	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1167966"	61.0284093333333	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"424918"	378.160623	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"787125"	558.224023	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1683454"	198.097223	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"333918"	189.5839495	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"724516"	279.6156495	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1477606"	99.5522495	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"393980"	383.116018	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"755582"	563.179418	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1604536"	203.052618	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"315183"	192.061647	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"714774"	282.093347	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1464227"	102.029947	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1061855"	68.3557233333333	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1266812"	213.096886	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"383196"	399.089958	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"748573"	579.153358	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1553185"	219.026558	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"308895"	200.048617	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"704598"	290.080317	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1455137"	110.016917	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"250306"	402.160626	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1223868"	222.097226	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1206900"	111.552251	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"195398"	405.09796	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"637143"	585.16136	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1138463"	225.03456	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"178476"	203.052618	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624597"	293.084318	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1121542"	113.020918	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1408344"	75.6830373333333	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1443375"	227.076146	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231245"	208.08564	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1513842"	241.12819	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415717"	211.039588	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"783277"	301.071288	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1677419"	121.007888	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"260657"	424.142568	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1233366"	244.079168	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1720427"	244.102693	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1189788"	83.0103513333333	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1657498"	249.058088	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"162179"	437.04584	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"606116"	617.10924	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1092814"	256.98244	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"146349"	219.026558	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"592107"	309.058258	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1075889"	128.994858	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1103630"	258.996992	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1346578"	259.084607	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1011827"	263.123776	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1535421"	264.117408	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1000774"	132.065526	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1598559"	265.032028	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1419851"	295.063538	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1155607"	152.578801	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1709168"	312.090085	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1639716"	317.04548	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1577554"	333.01942	"C02782"	"2-Deoxy-D-gluconate"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"811200"	134.0579	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M"	0
"989112"	115.03951	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-H2O-H"	-19.01839
"78081"	88.3646573333333	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M-3H"	-3.021828
"517886"	133.050624	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M-3H"	-3.021828
"890339"	43.6786906666667	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-3H"	-3.021828
"7821"	133.050624	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M-2H"	-2.014552
"448475"	200.079574	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M-2H"	-2.014552
"822996"	66.021674	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-2H"	-2.014552
"85173"	267.108524	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M-H"	-1.007276
"521820"	401.166424	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M-H"	-1.007276
"899259"	133.050624	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-H"	-1.007276
"58010"	284.135071	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M-2H+NH4"	16.019271
"498664"	418.192971	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M-2H+NH4"	16.019271
"878048"	150.077171	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-2H+NH4"	16.019271
"46758"	289.090466	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M-2H+Na"	20.974666
"483926"	423.148366	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M-2H+Na"	20.974666
"859541"	155.032566	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-2H+Na"	20.974666
"1626888"	155.032566	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Na-2H"	20.974666
"104508"	151.038963	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M-H+Cl"	33.962126
"536413"	218.067913	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M-H+Cl"	33.962126
"928588"	84.010013	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-H+Cl"	33.962126
"269577"	303.085202	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+Cl"	34.969402
"666375"	437.143102	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+Cl"	34.969402
"1277686"	169.027302	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Cl"	34.969402
"20241"	305.064406	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M-2H+K"	36.948606
"458709"	439.122306	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M-2H+K"	36.948606
"835779"	171.006506	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-2H+K"	36.948606
"1556716"	171.006506	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+K-2H"	36.948606
"943877"	179.056094	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-H+HCOOH"	44.998194
"365010"	313.114001	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+HCOOH-H"	44.998201
"346827"	327.129651	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+Hac-H"	59.013851
"1493834"	193.071751	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Hac-H"	59.013851
"959427"	201.038051	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-H+NaCOOH"	66.980151
"111860"	169.027302	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+2Cl"	69.938804
"551548"	236.056252	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+2Cl"	69.938804
"1025814"	101.998352	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2Cl"	69.938804
"1247581"	212.976785	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Br"	78.918885
"1312217"	215.032772	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Cl+HCOOH"	80.974872
"1325340"	237.014729	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Cl+NaCOOH"	102.956829
"920772"	247.043486	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M-H+CF3COOH"	112.985586
"1295294"	283.020164	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Cl+CF3COOH"	148.962264
"1373455"	99.045224	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H-2H2O"	-35.012676
"1383782"	117.0552	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H-H2O"	-17.0027
"283225"	269.123076	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+H"	1.007276
"676376"	403.180976	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+H"	1.007276
"1352117"	135.065176	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H"	1.007276
"132298"	135.065176	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+2H"	2.014552
"570765"	202.094126	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+2H"	2.014552
"1043939"	68.036226	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2H"	2.014552
"206739"	90.3792093333333	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+3H"	3.021828
"648493"	135.065176	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+3H"	3.021828
"1164430"	45.6932426666667	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+3H"	3.021828
"425512"	286.149623	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+NH4"	18.033823
"786992"	420.207523	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+NH4"	18.033823
"1682836"	152.091723	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+NH4"	18.033823
"332935"	143.5784495	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+H+NH4"	19.041099
"724262"	210.6073995	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+H+NH4"	19.041099
"1477960"	76.5494995	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H+NH4"	19.041099
"394942"	291.105018	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+Na"	22.989218
"755937"	425.162918	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+Na"	22.989218
"1605861"	157.047118	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Na"	22.989218
"316628"	146.056147	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+H+Na"	23.996494
"712697"	213.085097	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+H+Na"	23.996494
"1464337"	79.027197	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H+Na"	23.996494
"1063058"	53.0205566666667	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2H+Na"	25.00377
"1268015"	167.091386	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+CH3OH+H"	33.033486
"381120"	307.078958	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+K"	38.963158
"746497"	441.136858	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+K"	38.963158
"1551830"	173.021058	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+K"	38.963158
"307912"	154.043117	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+H+K"	39.970434
"703615"	221.072067	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+H+K"	39.970434
"1455247"	87.014167	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H+K"	39.970434
"248957"	310.149626	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+ACN+H"	42.033826
"1224706"	176.091726	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+ACN+H"	42.033826
"1208712"	88.549501	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+ACN+2H"	43.041102
"197692"	313.08696	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+2Na-H"	44.97116
"640533"	447.14486	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+2Na-H"	44.97116
"1138573"	179.02906	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2Na-H"	44.97116
"177493"	157.047118	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+2Na"	45.978436
"619240"	224.076068	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+2Na"	45.978436
"1117644"	90.018168	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2Na"	45.978436
"1410643"	60.3478706666667	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H+2Na"	46.985712
"1439478"	181.070646	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H+HCOOH"	47.012746
"225891"	162.08014	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+3H2O+2H"	56.04448
"1516139"	195.12269	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+IsoProp+H"	61.06479
"415827"	165.034088	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+Na+K"	61.952376
"775728"	232.063038	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+Na+K"	61.952376
"1675343"	98.005138	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Na+K"	61.952376
"258579"	332.131568	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+ACN+Na"	64.015768
"1233476"	198.073668	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+ACN+Na"	64.015768
"1720172"	198.097193	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+NH4+HCOOH"	64.039293
"1186617"	67.6751846666667	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+3Na"	68.967654
"1659790"	203.052588	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Na+HCOOH"	68.994688
"163382"	345.03484	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+2K-H"	76.91904
"607319"	479.09274	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+2K-H"	76.91904
"1094017"	210.97694	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2K-H"	76.91904
"145365"	173.021058	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"2M+2K"	77.926316
"591488"	240.050008	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"3M+2K"	77.926316
"1075999"	105.992108	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2K"	77.926316
"1103741"	212.991492	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2K+H"	78.933592
"1345595"	213.079107	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+DMSO+H"	79.021207
"1015218"	217.118276	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2ACN+H"	83.060376
"1534438"	218.111908	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+IsoProp+Na+H"	84.054008
"1000884"	109.062776	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+2ACN+2H"	84.067652
"1597577"	219.026528	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+K+HCOOH"	84.968628
"1422146"	249.058038	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+H+CF3COOH"	115.000138
"1155717"	129.576051	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+3ACN+2H"	125.094202
"1704174"	266.084585	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+NH4+CF3COOH"	132.026685
"1643104"	271.03998	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+Na+CF3COOH"	136.98208
"1577664"	287.01392	"C02783"	"2-Deoxy-L-arabinose"	"C5H10O4"	"134.0579"	"M+K+CF3COOH"	152.95602
"808029"	889.132	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M"	0
"989701"	870.11361	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H2O-H"	-19.01839
"76368"	591.747390666667	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-3H"	-3.021828
"518412"	888.124724	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-3H"	-3.021828
"892636"	295.370057333333	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-3H"	-3.021828
"11211"	888.124724	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H"	-2.014552
"450772"	1332.690724	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H"	-2.014552
"824199"	443.558724	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H"	-2.014552
"86377"	1777.256724	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-H"	-1.007276
"527032"	2666.388724	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-H"	-1.007276
"905929"	888.124724	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H"	-1.007276
"58120"	1794.283271	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+NH4"	16.019271
"495494"	2683.415271	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+NH4"	16.019271
"876576"	905.151271	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+NH4"	16.019271
"46544"	1799.238666	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+Na"	20.974666
"481849"	2688.370666	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+Na"	20.974666
"856370"	910.106666	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+Na"	20.974666
"1630278"	910.106666	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na-2H"	20.974666
"98058"	906.113063	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-H+Cl"	33.962126
"536890"	1350.679063	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-H+Cl"	33.962126
"928216"	461.547063	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+Cl"	33.962126
"270053"	1813.233402	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Cl"	34.969402
"663204"	2702.365402	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Cl"	34.969402
"1279982"	924.101402	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl"	34.969402
"21444"	1815.212606	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+K"	36.948606
"462099"	2704.344606	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+K"	36.948606
"835161"	926.080606	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+K"	36.948606
"1557556"	926.080606	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K-2H"	36.948606
"944222"	934.130194	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+HCOOH"	44.998194
"365120"	1823.262201	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+HCOOH-H"	44.998201
"349002"	1837.277851	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Hac-H"	59.013851
"1495645"	948.145851	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Hac-H"	59.013851
"959661"	956.112151	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+NaCOOH"	66.980151
"112094"	924.101402	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Cl"	69.938804
"552021"	1368.667402	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Cl"	69.938804
"1025924"	479.535402	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Cl"	69.938804
"1248784"	968.050885	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Br"	78.918885
"1313420"	970.106872	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+HCOOH"	80.974872
"1326543"	992.088829	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+NaCOOH"	102.956829
"924162"	1002.117586	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+CF3COOH"	112.985586
"1294310"	1038.094264	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+CF3COOH"	148.962264
"1377939"	854.119324	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H-2H2O"	-35.012676
"1385595"	872.1293	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H-H2O"	-17.0027
"284555"	1779.271276	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H"	1.007276
"678798"	2668.403276	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H"	1.007276
"1354051"	890.139276	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H"	1.007276
"135688"	890.139276	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2H"	2.014552
"573062"	1334.705276	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2H"	2.014552
"1044049"	445.573276	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2H"	2.014552
"208672"	593.761942666667	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+3H"	3.021828
"649696"	890.139276	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+3H"	3.021828
"1165269"	297.384609333333	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3H"	3.021828
"430723"	1796.297823	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+NH4"	18.033823
"790627"	2685.429823	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+NH4"	18.033823
"1686956"	907.165823	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4"	18.033823
"338516"	898.6525495	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+NH4"	19.041099
"725467"	1343.2185495	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+NH4"	19.041099
"1480018"	454.0865495	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+NH4"	19.041099
"399063"	1801.253218	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Na"	22.989218
"757871"	2690.385218	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Na"	22.989218
"1607066"	912.121218	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na"	22.989218
"316738"	901.130247	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+Na"	23.996494
"714994"	1345.696247	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+Na"	23.996494
"1467727"	456.564247	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+Na"	23.996494
"1064261"	304.711923333333	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2H+Na"	25.00377
"1267761"	922.165486	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+CH3OH+H"	33.033486
"386699"	1817.227158	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+K"	38.963158
"747700"	2706.359158	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+K"	38.963158
"1551940"	928.095158	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K"	38.963158
"308022"	909.117217	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+K"	39.970434
"703725"	1353.683217	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+K"	39.970434
"1452077"	464.551217	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+K"	39.970434
"249066"	1820.297826	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+ACN+H"	42.033826
"1225180"	931.165826	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+H"	42.033826
"1207120"	466.086551	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+2H"	43.041102
"199992"	1823.23516	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Na-H"	44.97116
"636273"	2712.36716	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Na-H"	44.97116
"1143058"	934.10316	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Na-H"	44.97116
"175779"	912.121218	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Na"	45.978436
"620444"	1356.687218	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Na"	45.978436
"1121765"	467.555218	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Na"	45.978436
"1403100"	312.039237333333	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+2Na"	46.985712
"1441776"	936.144746	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+HCOOH"	47.012746
"232563"	917.15424	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+3H2O+2H"	56.04448
"1521720"	950.19679	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+IsoProp+H"	61.06479
"418124"	920.108188	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Na+K"	61.952376
"780213"	1364.674188	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Na+K"	61.952376
"1678732"	475.542188	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+K"	61.952376
"263064"	1842.279768	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+ACN+Na"	64.015768
"1234679"	953.147768	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+Na"	64.015768
"1720285"	953.171293	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4+HCOOH"	64.039293
"1187825"	319.366551333333	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3Na"	68.967654
"1658807"	958.126688	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+HCOOH"	68.994688
"165680"	1855.18304	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2K-H"	76.91904
"609615"	2744.31504	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2K-H"	76.91904
"1094127"	966.05104	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K-H"	76.91904
"144382"	928.095158	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2K"	77.926316
"591598"	1372.661158	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2K"	77.926316
"1070641"	483.529158	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K"	77.926316
"1103850"	968.065592	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K+H"	78.933592
"1345705"	968.153207	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+DMSO+H"	79.021207
"1015328"	972.192376	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2ACN+H"	83.060376
"1535640"	973.186008	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+IsoProp+Na+H"	84.054008
"998807"	486.599826	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2ACN+2H"	84.067652
"1598779"	974.100628	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K+HCOOH"	84.968628
"1421164"	1004.132138	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+CF3COOH"	115.000138
"1161295"	507.113101	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3ACN+2H"	125.094202
"1710845"	1021.158685	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4+CF3COOH"	132.026685
"1637748"	1026.11408	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+CF3COOH"	136.98208
"1577774"	1042.08802	"C02784"	"2-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K+CF3COOH"	152.95602
"808139"	468.3603	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M"	0
"988602"	449.34191	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-H2O-H"	-19.01839
"73197"	311.232924	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M-3H"	-3.021828
"513853"	467.353024	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M-3H"	-3.021828
"883999"	155.112824	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-3H"	-3.021828
"1480"	467.353024	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H"	-2.014552
"445414"	701.533174	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H"	-2.014552
"819934"	233.172874	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-2H"	-2.014552
"83207"	935.713324	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M-H"	-1.007276
"522768"	1404.073624	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M-H"	-1.007276
"900936"	467.353024	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-H"	-1.007276
"56044"	952.739871	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H+NH4"	16.019271
"496698"	1421.100171	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H+NH4"	16.019271
"876323"	484.379571	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-2H+NH4"	16.019271
"44589"	957.695266	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H+Na"	20.974666
"481959"	1426.055566	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H+Na"	20.974666
"856480"	489.334966	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-2H+Na"	20.974666
"1621640"	489.334966	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Na-2H"	20.974666
"95981"	485.341363	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M-H+Cl"	33.962126
"535543"	719.521513	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M-H+Cl"	33.962126
"929057"	251.161213	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-H+Cl"	33.962126
"270893"	971.690002	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+Cl"	34.969402
"661490"	1440.050302	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+Cl"	34.969402
"1276082"	503.329702	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl"	34.969402
"19731"	973.669206	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H+K"	36.948606
"458927"	1442.029506	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H+K"	36.948606
"835271"	505.308906	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-2H+K"	36.948606
"1556331"	505.308906	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+K-2H"	36.948606
"943364"	513.358494	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-H+HCOOH"	44.998194
"365230"	981.718801	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+HCOOH-H"	44.998201
"346926"	995.734451	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+Hac-H"	59.013851
"1493569"	527.374151	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Hac-H"	59.013851
"959650"	535.340451	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-H+NaCOOH"	66.980151
"111111"	503.329702	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+2Cl"	69.938804
"550038"	737.509852	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+2Cl"	69.938804
"1026034"	269.149552	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2Cl"	69.938804
"1249987"	547.279185	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Br"	78.918885
"1313530"	549.335172	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl+HCOOH"	80.974872
"1328840"	571.317129	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl+NaCOOH"	102.956829
"923179"	581.345886	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M-H+CF3COOH"	112.985586
"1297701"	617.322564	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl+CF3COOH"	148.962264
"1376956"	433.347624	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H-2H2O"	-35.012676
"1388986"	451.3576	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H-H2O"	-17.0027
"283407"	937.727876	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+H"	1.007276
"678908"	1406.088176	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+H"	1.007276
"1359628"	469.367576	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H"	1.007276
"132518"	469.367576	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+2H"	2.014552
"575359"	703.547726	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+2H"	2.014552
"1044160"	235.187426	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2H"	2.014552
"206960"	313.247476	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+3H"	3.021828
"646521"	469.367576	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+3H"	3.021828
"1166470"	157.127376	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+3H"	3.021828
"427554"	954.754423	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+NH4"	18.033823
"788549"	1423.114723	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+NH4"	18.033823
"1689255"	486.394123	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+NH4"	18.033823
"336440"	477.8808495	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+H+NH4"	19.041099
"728131"	712.0609995	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+H+NH4"	19.041099
"1479398"	243.7006995	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H+NH4"	19.041099
"398078"	959.709818	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+Na"	22.989218
"756524"	1428.070118	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+Na"	22.989218
"1604623"	491.349518	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Na"	22.989218
"318302"	480.358547	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+H+Na"	23.996494
"710724"	714.538697	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+H+Na"	23.996494
"1463457"	246.178397	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H+Na"	23.996494
"1058154"	164.45469	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2H+Na"	25.00377
"1265685"	501.393786	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+CH3OH+H"	33.033486
"387538"	975.683758	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+K"	38.963158
"746717"	1444.044058	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+K"	38.963158
"1550957"	507.323458	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+K"	38.963158
"310319"	488.345517	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+H+K"	39.970434
"703835"	722.525667	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+H+K"	39.970434
"1454374"	254.165367	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H+K"	39.970434
"250269"	978.754426	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+ACN+H"	42.033826
"1225048"	510.394126	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+ACN+H"	42.033826
"1207229"	255.700701	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+ACN+2H"	43.041102
"197915"	981.69176	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+2Na-H"	44.97116
"635289"	1450.05206	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+2Na-H"	44.97116
"1139888"	513.33146	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2Na-H"	44.97116
"176619"	491.349518	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+2Na"	45.978436
"620553"	725.529668	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+2Na"	45.978436
"1125155"	257.169368	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2Na"	45.978436
"1404303"	171.782004	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H+2Na"	46.985712
"1439699"	515.373046	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H+HCOOH"	47.012746
"232673"	496.38254	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+3H2O+2H"	56.04448
"1517456"	529.42509	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+IsoProp+H"	61.06479
"417141"	499.336488	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+Na+K"	61.952376
"777043"	733.516638	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+Na+K"	61.952376
"1676655"	265.156338	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Na+K"	61.952376
"263174"	1000.736368	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+ACN+Na"	64.015768
"1235883"	532.376068	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+ACN+Na"	64.015768
"1721488"	532.399593	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+NH4+HCOOH"	64.039293
"1189028"	179.109318	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+3Na"	68.967654
"1657824"	537.354988	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Na+HCOOH"	68.994688
"164697"	1013.63964	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+2K-H"	76.91904
"599882"	1481.99994	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+2K-H"	76.91904
"1087675"	545.27934	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2K-H"	76.91904
"145584"	507.323458	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"2M+2K"	77.926316
"592801"	741.503608	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"3M+2K"	77.926316
"1070143"	273.143308	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2K"	77.926316
"1102867"	547.293892	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2K+H"	78.933592
"1344721"	547.381507	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+DMSO+H"	79.021207
"1015438"	551.420676	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2ACN+H"	83.060376
"1535750"	552.414308	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+IsoProp+Na+H"	84.054008
"996730"	276.213976	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+2ACN+2H"	84.067652
"1598889"	553.328928	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+K+HCOOH"	84.968628
"1423460"	583.360438	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+H+CF3COOH"	115.000138
"1161405"	296.727251	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+3ACN+2H"	125.094202
"1710955"	600.386985	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+NH4+CF3COOH"	132.026685
"1641138"	605.34238	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+Na+CF3COOH"	136.98208
"1577884"	621.31632	"C02785"	"3-Hydroxy-vitamin K;3-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone;3-Hydroxy-2-methyl-3-phytyl-23-dihydro-14-naphthoquinone"	"C31H48O3"	"468.3603"	"M+K+CF3COOH"	152.95602
"808249"	73.0891	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M"	0
"988834"	54.07071	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-H2O-H"	-19.01839
"74400"	47.7187906666667	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M-3H"	-3.021828
"513963"	72.081824	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M-3H"	-3.021828
"884109"	23.3557573333333	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-3H"	-3.021828
"2682"	72.081824	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M-2H"	-2.014552
"445524"	108.626374	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M-2H"	-2.014552
"820043"	35.537274	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-2H"	-2.014552
"83317"	145.170924	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M-H"	-1.007276
"522878"	218.260024	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M-H"	-1.007276
"901046"	72.081824	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-H"	-1.007276
"55060"	162.197471	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M-2H+NH4"	16.019271
"495715"	235.286571	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M-2H+NH4"	16.019271
"873518"	89.108371	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-2H+NH4"	16.019271
"42510"	167.152866	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M-2H+Na"	20.974666
"484255"	240.241966	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M-2H+Na"	20.974666
"856590"	94.063766	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-2H+Na"	20.974666
"1621021"	94.063766	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Na-2H"	20.974666
"97183"	90.070163	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M-H+Cl"	33.962126
"538204"	126.614713	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M-H+Cl"	33.962126
"929893"	53.525613	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-H+Cl"	33.962126
"271367"	181.147602	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+Cl"	34.969402
"665246"	254.236702	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+Cl"	34.969402
"1279108"	108.058502	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Cl"	34.969402
"21299"	183.126806	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M-2H+K"	36.948606
"459400"	256.215906	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M-2H+K"	36.948606
"835013"	110.037706	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-2H+K"	36.948606
"1557410"	110.037706	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+K-2H"	36.948606
"945291"	118.087294	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-H+HCOOH"	44.998194
"361426"	191.176401	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+HCOOH-H"	44.998201
"347034"	205.192051	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+Hac-H"	59.013851
"1493551"	132.102951	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Hac-H"	59.013851
"960850"	140.069251	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-H+NaCOOH"	66.980151
"111581"	108.058502	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+2Cl"	69.938804
"554062"	144.603052	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+2Cl"	69.938804
"1026143"	71.513952	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2Cl"	69.938804
"1249003"	152.007985	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Br"	78.918885
"1315826"	154.063972	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Cl+HCOOH"	80.974872
"1328949"	176.045929	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Cl+NaCOOH"	102.956829
"926084"	186.074686	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M-H+CF3COOH"	112.985586
"1303887"	222.051364	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Cl+CF3COOH"	148.962264
"1381318"	38.076424	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H-2H2O"	-35.012676
"1386909"	56.0864	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H-H2O"	-17.0027
"283433"	147.185476	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+H"	1.007276
"681205"	220.274576	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+H"	1.007276
"1361925"	74.096376	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H"	1.007276
"134815"	74.096376	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+2H"	2.014552
"576563"	110.640926	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+2H"	2.014552
"1044270"	37.551826	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2H"	2.014552
"207435"	49.7333426666667	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+3H"	3.021828
"647359"	74.096376	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+3H"	3.021828
"1165122"	25.3703093333333	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+3H"	3.021828
"428028"	164.212023	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+NH4"	18.033823
"790847"	237.301123	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+NH4"	18.033823
"1687541"	91.122923	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+NH4"	18.033823
"334727"	82.6096495	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+H+NH4"	19.041099
"729334"	119.1541995	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+H+NH4"	19.041099
"1486070"	46.0650995	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H+NH4"	19.041099
"403656"	169.167418	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+Na"	22.989218
"762465"	242.256518	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+Na"	22.989218
"1607645"	96.078318	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Na"	22.989218
"319870"	85.087347	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+H+Na"	23.996494
"711927"	121.631897	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+H+Na"	23.996494
"1467936"	48.542797	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H+Na"	23.996494
"1057900"	32.6976233333333	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2H+Na"	25.00377
"1259955"	106.122586	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+CH3OH+H"	33.033486
"389106"	185.141358	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+K"	38.963158
"747920"	258.230458	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+K"	38.963158
"1552160"	112.052258	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+K"	38.963158
"310429"	93.074317	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+H+K"	39.970434
"703217"	129.618867	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+H+K"	39.970434
"1455213"	56.529767	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H+K"	39.970434
"249651"	188.212026	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+ACN+H"	42.033826
"1223699"	115.122926	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+ACN+H"	42.033826
"1206975"	58.065101	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+ACN+2H"	43.041102
"194743"	191.14936	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+2Na-H"	44.97116
"634306"	264.23846	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+2Na-H"	44.97116
"1138904"	118.06026	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2Na-H"	44.97116
"177822"	96.078318	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+2Na"	45.978436
"621393"	132.622868	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+2Na"	45.978436
"1119798"	59.533768	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2Na"	45.978436
"1406236"	40.0249373333333	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H+2Na"	46.985712
"1440174"	120.101846	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H+HCOOH"	47.012746
"228774"	101.11134	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+3H2O+2H"	56.04448
"1514285"	134.15389	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+IsoProp+H"	61.06479
"416157"	104.065288	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+Na+K"	61.952376
"777153"	140.609838	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+Na+K"	61.952376
"1673485"	67.520738	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Na+K"	61.952376
"261097"	210.193968	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+ACN+Na"	64.015768
"1234900"	137.104868	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+ACN+Na"	64.015768
"1721234"	137.128393	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+NH4+HCOOH"	64.039293
"1187680"	47.3522513333333	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+3Na"	68.967654
"1657934"	142.083788	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Na+HCOOH"	68.994688
"165536"	223.09724	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+2K-H"	76.91904
"601085"	296.18634	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+2K-H"	76.91904
"1087785"	150.00814	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2K-H"	76.91904
"144600"	112.052258	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"2M+2K"	77.926316
"592911"	148.596808	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"3M+2K"	77.926316
"1071953"	75.507708	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2K"	77.926316
"1105163"	152.022692	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2K+H"	78.933592
"1345924"	152.110307	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+DMSO+H"	79.021207
"1014455"	156.149476	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2ACN+H"	83.060376
"1529299"	157.143108	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+IsoProp+Na+H"	84.054008
"996840"	78.578376	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+2ACN+2H"	84.067652
"1598998"	158.057728	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+K+HCOOH"	84.968628
"1424663"	188.089238	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+H+CF3COOH"	115.000138
"1161515"	99.091651	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+3ACN+2H"	125.094202
"1709972"	205.115785	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+NH4+CF3COOH"	132.026685
"1641248"	210.07118	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+Na+CF3COOH"	136.98208
"1577994"	226.04512	"C02787"	"2-Methylpropanamine;2-Methyl-1-propanamine;Isobutylamine"	"C4H11N"	"73.0891"	"M+K+CF3COOH"	152.95602
"805081"	160.9799	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M"	0
"988702"	141.96151	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-H2O-H"	-19.01839
"74512"	106.312657333333	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M-3H"	-3.021828
"511884"	159.972624	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M-3H"	-3.021828
"886405"	52.6526906666667	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-3H"	-3.021828
"4980"	159.972624	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M-2H"	-2.014552
"445635"	240.462574	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M-2H"	-2.014552
"827813"	79.482674	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-2H"	-2.014552
"89992"	320.952524	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M-H"	-1.007276
"527366"	481.932424	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M-H"	-1.007276
"901157"	159.972624	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-H"	-1.007276
"50063"	337.979071	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M-2H+NH4"	16.019271
"494729"	498.958971	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M-2H+NH4"	16.019271
"872531"	176.999171	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-2H+NH4"	16.019271
"41524"	342.934466	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M-2H+Na"	20.974666
"476712"	503.914366	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M-2H+Na"	20.974666
"851596"	181.954566	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-2H+Na"	20.974666
"1624046"	181.954566	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Na-2H"	20.974666
"98752"	177.960963	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M-H+Cl"	33.962126
"540134"	258.450913	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M-H+Cl"	33.962126
"932557"	97.471013	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-H+Cl"	33.962126
"274395"	356.929202	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+Cl"	34.969402
"666815"	517.909102	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+Cl"	34.969402
"1275570"	195.949302	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Cl"	34.969402
"17524"	358.908406	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M-2H+K"	36.948606
"458061"	519.888306	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M-2H+K"	36.948606
"834769"	197.928506	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-2H+K"	36.948606
"1556147"	197.928506	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+K-2H"	36.948606
"944674"	205.978094	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-H+HCOOH"	44.998194
"366543"	366.958001	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+HCOOH-H"	44.998201
"350428"	380.973651	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+Hac-H"	59.013851
"1493060"	219.993751	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Hac-H"	59.013851
"961331"	227.960051	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-H+NaCOOH"	66.980151
"112055"	195.949302	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+2Cl"	69.938804
"551987"	276.439252	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+2Cl"	69.938804
"1027348"	115.459352	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2Cl"	69.938804
"1253487"	239.898785	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Br"	78.918885
"1318123"	241.954772	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Cl+HCOOH"	80.974872
"1334894"	263.936729	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Cl+NaCOOH"	102.956829
"923397"	273.965486	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M-H+CF3COOH"	112.985586
"1291000"	309.942164	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Cl+CF3COOH"	148.962264
"1370619"	125.967224	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H-2H2O"	-35.012676
"1390302"	143.9772	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H-H2O"	-17.0027
"291082"	322.967076	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+H"	1.007276
"680223"	483.946976	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+H"	1.007276
"1359851"	161.987176	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H"	1.007276
"132740"	161.987176	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+2H"	2.014552
"571206"	242.477126	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+2H"	2.014552
"1038554"	81.497226	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2H"	2.014552
"206087"	108.327209333333	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+3H"	3.021828
"645041"	161.987176	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+3H"	3.021828
"1164137"	54.6672426666667	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+3H"	3.021828
"428137"	339.993623	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+NH4"	18.033823
"790954"	500.973523	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+NH4"	18.033823
"1684368"	179.013723	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+NH4"	18.033823
"337754"	170.5004495	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+H+NH4"	19.041099
"726526"	250.9903995	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+H+NH4"	19.041099
"1484720"	90.0104995	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H+NH4"	19.041099
"401578"	344.949018	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+Na"	22.989218
"757473"	505.928918	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+Na"	22.989218
"1608120"	183.969118	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Na"	22.989218
"319251"	172.978147	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+H+Na"	23.996494
"708279"	253.468097	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+H+Na"	23.996494
"1462102"	92.488197	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H+Na"	23.996494
"1064230"	61.9945566666667	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2H+Na"	25.00377
"1267001"	194.013386	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+CH3OH+H"	33.033486
"387035"	360.922958	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+K"	38.963158
"746936"	521.902858	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+K"	38.963158
"1554342"	199.943058	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+K"	38.963158
"312728"	180.965117	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+H+K"	39.970434
"704060"	261.455067	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+H+K"	39.970434
"1456792"	100.475167	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H+K"	39.970434
"244298"	363.993626	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+ACN+H"	42.033826
"1213727"	203.013726	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+ACN+H"	42.033826
"1197244"	102.010501	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+ACN+2H"	43.041102
"195945"	366.93096	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+2Na-H"	44.97116
"635510"	527.91086	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+2Na-H"	44.97116
"1132452"	205.95106	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2Na-H"	44.97116
"175013"	183.969118	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+2Na"	45.978436
"615307"	264.459068	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+2Na"	45.978436
"1119908"	103.479168	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2Na"	45.978436
"1407441"	69.3218706666667	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H+2Na"	46.985712
"1434455"	207.992646	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H+HCOOH"	47.012746
"225245"	189.00214	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+3H2O+2H"	56.04448
"1515495"	222.04469	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+IsoProp+H"	61.06479
"414084"	191.956088	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+Na+K"	61.952376
"775081"	272.446038	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+Na+K"	61.952376
"1671409"	111.466138	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Na+K"	61.952376
"260845"	385.975568	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+ACN+Na"	64.015768
"1232825"	224.995668	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+ACN+Na"	64.015768
"1719161"	225.019193	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+NH4+HCOOH"	64.039293
"1180508"	76.6491846666667	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+3Na"	68.967654
"1655868"	229.974588	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Na+HCOOH"	68.994688
"163819"	398.87884	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+2K-H"	76.91904
"601194"	559.85874	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+2K-H"	76.91904
"1095558"	237.89894	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2K-H"	76.91904
"152374"	199.943058	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"2M+2K"	77.926316
"590841"	280.433008	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"3M+2K"	77.926316
"1083787"	119.453108	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2K"	77.926316
"1115374"	239.913492	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2K+H"	78.933592
"1347134"	240.001107	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+DMSO+H"	79.021207
"1015662"	244.040276	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2ACN+H"	83.060376
"1533790"	245.033908	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+IsoProp+Na+H"	84.054008
"1004251"	122.523776	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+2ACN+2H"	84.067652
"1600210"	245.948528	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+K+HCOOH"	84.968628
"1423683"	275.980038	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+H+CF3COOH"	115.000138
"1157250"	143.037051	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+3ACN+2H"	125.094202
"1705706"	293.006585	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+NH4+CF3COOH"	132.026685
"1636256"	297.96198	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+Na+CF3COOH"	136.98208
"1575917"	313.93592	"C02791"	"34-Dichloroaniline"	"C6H5Cl2N"	"160.9799"	"M+K+CF3COOH"	152.95602
"806284"	889.132	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M"	0
"985287"	870.11361	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H2O-H"	-19.01839
"72435"	591.747390666667	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-3H"	-3.021828
"505433"	888.124724	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-3H"	-3.021828
"883235"	295.370057333333	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-3H"	-3.021828
"3630"	888.124724	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H"	-2.014552
"446838"	1332.690724	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H"	-2.014552
"824641"	443.558724	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H"	-2.014552
"90102"	1777.256724	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-H"	-1.007276
"529662"	2666.388724	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-H"	-1.007276
"899807"	888.124724	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H"	-1.007276
"53088"	1794.283271	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+NH4"	16.019271
"496296"	2683.415271	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+NH4"	16.019271
"870817"	905.151271	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+NH4"	16.019271
"35438"	1799.238666	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+Na"	20.974666
"476822"	2688.370666	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+Na"	20.974666
"852070"	910.106666	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+Na"	20.974666
"1621602"	910.106666	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na-2H"	20.974666
"98498"	906.113063	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-H+Cl"	33.962126
"541337"	1350.679063	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-H+Cl"	33.962126
"935946"	461.547063	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+Cl"	33.962126
"271951"	1813.233402	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Cl"	34.969402
"669111"	2702.365402	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Cl"	34.969402
"1276411"	924.101402	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl"	34.969402
"18605"	1815.212606	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+K"	36.948606
"457078"	2704.344606	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+K"	36.948606
"833786"	926.080606	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+K"	36.948606
"1556543"	926.080606	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K-2H"	36.948606
"944059"	934.130194	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+HCOOH"	44.998194
"364466"	1823.262201	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+HCOOH-H"	44.998201
"349444"	1837.277851	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Hac-H"	59.013851
"1494992"	948.145851	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Hac-H"	59.013851
"965815"	956.112151	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+NaCOOH"	66.980151
"111804"	924.101402	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Cl"	69.938804
"554285"	1368.667402	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Cl"	69.938804
"1027459"	479.535402	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Cl"	69.938804
"1252505"	968.050885	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Br"	78.918885
"1318963"	970.106872	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+HCOOH"	80.974872
"1333181"	992.088829	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+NaCOOH"	102.956829
"926429"	1002.117586	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+CF3COOH"	112.985586
"1295847"	1038.094264	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+CF3COOH"	148.962264
"1376196"	854.119324	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H-2H2O"	-35.012676
"1388224"	872.1293	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H-H2O"	-17.0027
"287910"	1779.271276	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H"	1.007276
"683613"	2668.403276	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H"	1.007276
"1364335"	890.139276	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H"	1.007276
"139411"	890.139276	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2H"	2.014552
"571315"	1334.705276	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2H"	2.014552
"1040851"	445.573276	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2H"	2.014552
"207291"	593.761942666667	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+3H"	3.021828
"647946"	890.139276	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+3H"	3.021828
"1167164"	297.384609333333	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3H"	3.021828
"428612"	1796.297823	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+NH4"	18.033823
"790700"	2685.429823	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+NH4"	18.033823
"1688856"	907.165823	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4"	18.033823
"337862"	898.6525495	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+NH4"	19.041099
"735386"	1343.2185495	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+NH4"	19.041099
"1489570"	454.0865495	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+NH4"	19.041099
"406063"	1801.253218	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Na"	22.989218
"760497"	2690.385218	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Na"	22.989218
"1615160"	912.121218	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na"	22.989218
"326287"	901.130247	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+Na"	23.996494
"707901"	1345.696247	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+Na"	23.996494
"1461603"	456.564247	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+Na"	23.996494
"1066523"	304.711923333333	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2H+Na"	25.00377
"1263099"	922.165486	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+CH3OH+H"	33.033486
"381677"	1817.227158	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+K"	38.963158
"745952"	2706.359158	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+K"	38.963158
"1553722"	928.095158	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K"	38.963158
"310650"	909.117217	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+K"	39.970434
"703075"	1353.683217	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+K"	39.970434
"1454715"	464.551217	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+K"	39.970434
"244410"	1820.297826	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+ACN+H"	42.033826
"1212377"	931.165826	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+H"	42.033826
"1196990"	466.086551	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+2H"	43.041102
"192410"	1823.23516	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Na-H"	44.97116
"634526"	2712.36716	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Na-H"	44.97116
"1132678"	934.10316	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Na-H"	44.97116
"173619"	912.121218	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Na"	45.978436
"614324"	1356.687218	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Na"	45.978436
"1118924"	467.555218	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Na"	45.978436
"1399532"	312.039237333333	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+2Na"	46.985712
"1431279"	936.144746	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+HCOOH"	47.012746
"222438"	917.15424	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+3H2O+2H"	56.04448
"1511594"	950.19679	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+IsoProp+H"	61.06479
"412734"	920.108188	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Na+K"	61.952376
"773366"	1364.674188	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Na+K"	61.952376
"1668962"	475.542188	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+K"	61.952376
"255483"	1842.279768	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+ACN+Na"	64.015768
"1229285"	953.147768	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+Na"	64.015768
"1718541"	953.171293	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4+HCOOH"	64.039293
"1181345"	319.366551333333	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3Na"	68.967654
"1654882"	958.126688	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+HCOOH"	68.994688
"161742"	1855.18304	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2K-H"	76.91904
"600575"	2744.31504	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2K-H"	76.91904
"1093474"	966.05104	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K-H"	76.91904
"152484"	928.095158	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2K"	77.926316
"592043"	1372.661158	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2K"	77.926316
"1082026"	483.529158	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K"	77.926316
"1113047"	968.065592	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K+H"	78.933592
"1346148"	968.153207	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+DMSO+H"	79.021207
"1019050"	972.192376	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2ACN+H"	83.060376
"1536086"	973.186008	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+IsoProp+Na+H"	84.054008
"1005091"	486.599826	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2ACN+2H"	84.067652
"1601413"	974.100628	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K+HCOOH"	84.968628
"1423793"	1004.132138	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+CF3COOH"	115.000138
"1155173"	507.113101	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3ACN+2H"	125.094202
"1702536"	1021.158685	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4+CF3COOH"	132.026685
"1638189"	1026.11408	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+CF3COOH"	136.98208
"1576027"	1042.08802	"C02792"	"3-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K+CF3COOH"	152.95602
"805301"	468.3603	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M"	0
"988677"	449.34191	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-H2O-H"	-19.01839
"74732"	311.232924	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M-3H"	-3.021828
"511011"	467.353024	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M-3H"	-3.021828
"886625"	155.112824	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-3H"	-3.021828
"1919"	467.353024	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H"	-2.014552
"444762"	701.533174	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H"	-2.014552
"822565"	233.172874	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-2H"	-2.014552
"90212"	935.713324	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M-H"	-1.007276
"528679"	1404.073624	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M-H"	-1.007276
"898824"	467.353024	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-H"	-1.007276
"49919"	952.739871	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H+NH4"	16.019271
"494949"	1421.100171	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H+NH4"	16.019271
"870563"	484.379571	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-2H+NH4"	16.019271
"35184"	957.695266	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H+Na"	20.974666
"476932"	1426.055566	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H+Na"	20.974666
"851816"	489.334966	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-2H+Na"	20.974666
"1621711"	489.334966	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Na-2H"	20.974666
"97876"	485.341363	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M-H+Cl"	33.962126
"541447"	719.521513	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M-H+Cl"	33.962126
"937149"	251.161213	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-H+Cl"	33.962126
"273519"	971.690002	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+Cl"	34.969402
"669220"	1440.050302	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+Cl"	34.969402
"1276157"	503.329702	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl"	34.969402
"18350"	973.669206	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M-2H+K"	36.948606
"457669"	1442.029506	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M-2H+K"	36.948606
"833896"	505.308906	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-2H+K"	36.948606
"1556285"	505.308906	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+K-2H"	36.948606
"944531"	513.358494	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-H+HCOOH"	44.998194
"364576"	981.718801	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+HCOOH-H"	44.998201
"346510"	995.734451	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+Hac-H"	59.013851
"1494374"	527.374151	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Hac-H"	59.013851
"961550"	535.340451	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-H+NaCOOH"	66.980151
"110822"	503.329702	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+2Cl"	69.938804
"555486"	737.509852	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+2Cl"	69.938804
"1030848"	269.149552	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2Cl"	69.938804
"1253343"	547.279185	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Br"	78.918885
"1316157"	549.335172	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl+HCOOH"	80.974872
"1334871"	571.317129	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl+NaCOOH"	102.956829
"925442"	581.345886	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M-H+CF3COOH"	112.985586
"1297051"	617.322564	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Cl+CF3COOH"	148.962264
"1376306"	433.347624	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H-2H2O"	-35.012676
"1386149"	451.3576	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H-H2O"	-17.0027
"288022"	937.727876	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+H"	1.007276
"681537"	1406.088176	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+H"	1.007276
"1364445"	469.367576	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H"	1.007276
"138428"	469.367576	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+2H"	2.014552
"569605"	703.547726	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+2H"	2.014552
"1039503"	235.187426	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2H"	2.014552
"206307"	313.247476	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+3H"	3.021828
"646234"	469.367576	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+3H"	3.021828
"1167274"	157.127376	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+3H"	3.021828
"429450"	954.754423	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+NH4"	18.033823
"790079"	1423.114723	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+NH4"	18.033823
"1687872"	486.394123	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+NH4"	18.033823
"338336"	477.8808495	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+H+NH4"	19.041099
"736834"	712.0609995	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+H+NH4"	19.041099
"1490047"	243.7006995	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H+NH4"	19.041099
"406173"	959.709818	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+Na"	22.989218
"766077"	1428.070118	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+Na"	22.989218
"1614176"	491.349518	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Na"	22.989218
"323117"	480.358547	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+H+Na"	23.996494
"712258"	714.538697	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+H+Na"	23.996494
"1461466"	246.178397	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H+Na"	23.996494
"1065904"	164.45469	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2H+Na"	25.00377
"1262116"	501.393786	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+CH3OH+H"	33.033486
"387254"	975.683758	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+K"	38.963158
"744239"	1444.044058	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+K"	38.963158
"1552860"	507.323458	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+K"	38.963158
"308573"	488.345517	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+H+K"	39.970434
"700999"	722.525667	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+H+K"	39.970434
"1459926"	254.165367	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H+K"	39.970434
"250801"	978.754426	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+ACN+H"	42.033826
"1218322"	510.394126	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+ACN+H"	42.033826
"1200018"	255.700701	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+ACN+2H"	43.041102
"195075"	981.69176	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+2Na-H"	44.97116
"639008"	1450.05206	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+2Na-H"	44.97116
"1131697"	513.33146	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2Na-H"	44.97116
"173530"	491.349518	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+2Na"	45.978436
"614799"	725.529668	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+2Na"	45.978436
"1116969"	257.169368	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2Na"	45.978436
"1399278"	171.782004	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H+2Na"	46.985712
"1431393"	515.373046	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H+HCOOH"	47.012746
"222184"	496.38254	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+3H2O+2H"	56.04448
"1511340"	529.42509	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+IsoProp+H"	61.06479
"413210"	499.336488	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+Na+K"	61.952376
"772383"	733.516638	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+Na+K"	61.952376
"1669441"	265.156338	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Na+K"	61.952376
"256326"	1000.736368	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+ACN+Na"	64.015768
"1227210"	532.376068	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+ACN+Na"	64.015768
"1717557"	532.399593	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+NH4+HCOOH"	64.039293
"1182184"	179.109318	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+3Na"	68.967654
"1653899"	537.354988	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Na+HCOOH"	68.994688
"160759"	1013.63964	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+2K-H"	76.91904
"600321"	1481.99994	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+2K-H"	76.91904
"1092491"	545.27934	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2K-H"	76.91904
"151501"	507.323458	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"2M+2K"	77.926316
"591060"	741.503608	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"3M+2K"	77.926316
"1083229"	273.143308	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2K"	77.926316
"1112064"	547.293892	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2K+H"	78.933592
"1344072"	547.381507	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+DMSO+H"	79.021207
"1013694"	551.420676	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2ACN+H"	83.060376
"1532911"	552.414308	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+IsoProp+Na+H"	84.054008
"1005445"	276.213976	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+2ACN+2H"	84.067652
"1599336"	553.328928	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+K+HCOOH"	84.968628
"1423903"	583.360438	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+H+CF3COOH"	115.000138
"1155283"	296.727251	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+3ACN+2H"	125.094202
"1702646"	600.386985	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+NH4+CF3COOH"	132.026685
"1638299"	605.34238	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+Na+CF3COOH"	136.98208
"1576137"	621.31632	"C02793"	"2-Hydroxy-vitamin K;2-Hydroxy-2-methyl-3-phytyl-23-dihydronaphthoquinone"	"C31H48O3"	"468.3603"	"M+K+CF3COOH"	152.95602
"808691"	224.0797	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M"	0
"984413"	205.06131	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H2O-H"	-19.01839
"73749"	148.379190666667	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-3H"	-3.021828
"511122"	223.072424	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-3H"	-3.021828
"891109"	73.6859573333333	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-3H"	-3.021828
"3123"	223.072424	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H"	-2.014552
"448152"	335.112274	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H"	-2.014552
"823768"	111.032574	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H"	-2.014552
"88135"	447.152124	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-H"	-1.007276
"523322"	671.231824	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-H"	-1.007276
"898568"	223.072424	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H"	-1.007276
"50028"	464.178671	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+NH4"	16.019271
"491413"	688.258371	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+NH4"	16.019271
"868484"	240.098971	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+NH4"	16.019271
"33834"	469.134066	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+Na"	20.974666
"472179"	693.213766	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+Na"	20.974666
"850101"	245.054366	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+Na"	20.974666
"1621093"	245.054366	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na-2H"	20.974666
"96528"	241.060763	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-H+Cl"	33.962126
"537911"	353.100613	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-H+Cl"	33.962126
"931792"	129.020913	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+Cl"	33.962126
"270713"	483.128802	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Cl"	34.969402
"667144"	707.208502	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Cl"	34.969402
"1277361"	259.049102	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl"	34.969402
"19919"	485.108006	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+K"	36.948606
"457298"	709.187706	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+K"	36.948606
"834006"	261.028306	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+K"	36.948606
"1556394"	261.028306	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K-2H"	36.948606
"946466"	269.077894	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+HCOOH"	44.998194
"362620"	493.157601	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+HCOOH-H"	44.998201
"346622"	507.173251	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Hac-H"	59.013851
"1495214"	283.093551	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Hac-H"	59.013851
"966036"	291.059851	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+NaCOOH"	66.980151
"119319"	259.049102	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Cl"	69.938804
"559972"	371.088952	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Cl"	69.938804
"1034240"	147.009252	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Cl"	69.938804
"1250538"	302.998585	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Br"	78.918885
"1319186"	305.054572	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+HCOOH"	80.974872
"1335230"	327.036529	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+NaCOOH"	102.956829
"926529"	337.065286	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+CF3COOH"	112.985586
"1298254"	373.041964	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+CF3COOH"	148.962264
"1377509"	189.067024	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H-2H2O"	-35.012676
"1387353"	207.077	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H-H2O"	-17.0027
"289225"	449.166676	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H"	1.007276
"682740"	673.246376	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H"	1.007276
"1363462"	225.086976	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H"	1.007276
"139268"	225.086976	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2H"	2.014552
"570445"	337.126826	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2H"	2.014552
"1038884"	113.047126	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2H"	2.014552
"206419"	150.393742666667	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+3H"	3.021828
"647438"	225.086976	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+3H"	3.021828
"1166291"	75.7005093333333	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3H"	3.021828
"427738"	466.193223	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+NH4"	18.033823
"788369"	690.272923	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+NH4"	18.033823
"1687981"	242.113523	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4"	18.033823
"341362"	233.6002495	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+NH4"	19.041099
"735608"	345.6400995	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+NH4"	19.041099
"1491617"	121.5603995	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+NH4"	19.041099
"406284"	471.148618	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Na"	22.989218
"768621"	695.228318	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Na"	22.989218
"1615378"	247.068918	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na"	22.989218
"326508"	236.077947	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+Na"	23.996494
"714555"	348.117797	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+Na"	23.996494
"1461616"	124.038097	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+Na"	23.996494
"1053847"	83.0278233333333	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2H+Na"	25.00377
"1263315"	257.113186	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+CH3OH+H"	33.033486
"384084"	487.122558	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+K"	38.963158
"746172"	711.202258	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+K"	38.963158
"1553335"	263.042858	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K"	38.963158
"308683"	244.064917	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+K"	39.970434
"701109"	356.104767	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+K"	39.970434
"1460401"	132.025067	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+K"	39.970434
"250827"	490.193226	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+ACN+H"	42.033826
"1220619"	266.113526	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+H"	42.033826
"1200128"	133.560401	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+2H"	43.041102
"195185"	493.13056	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Na-H"	44.97116
"635838"	717.21026	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Na-H"	44.97116
"1132906"	269.05086	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Na-H"	44.97116
"173887"	247.068918	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Na"	45.978436
"615639"	359.108768	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Na"	45.978436
"1117443"	135.029068	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Na"	45.978436
"1402668"	90.3551373333333	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+2Na"	46.985712
"1430161"	271.092446	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+HCOOH"	47.012746
"222658"	252.10194	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+3H2O+2H"	56.04448
"1511814"	285.14449	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+H"	61.06479
"412226"	255.055888	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Na+K"	61.952376
"772130"	367.095738	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Na+K"	61.952376
"1666634"	143.016038	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+K"	61.952376
"254614"	512.175168	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+ACN+Na"	64.015768
"1226345"	288.095468	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+Na"	64.015768
"1714020"	288.118993	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4+HCOOH"	64.039293
"1181562"	97.6824513333333	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3Na"	68.967654
"1653280"	293.074388	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+HCOOH"	68.994688
"160140"	525.07844	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2K-H"	76.91904
"599702"	749.15814	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2K-H"	76.91904
"1091508"	300.99874	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K-H"	76.91904
"149425"	263.042858	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2K"	77.926316
"590074"	375.082708	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2K"	77.926316
"1078965"	151.003008	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K"	77.926316
"1108892"	303.013292	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K+H"	78.933592
"1344182"	303.100907	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+DMSO+H"	79.021207
"1012711"	307.140076	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2ACN+H"	83.060376
"1533021"	308.133708	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+Na+H"	84.054008
"1004821"	154.073676	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2ACN+2H"	84.067652
"1599445"	309.048328	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K+HCOOH"	84.968628
"1425107"	339.079838	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+CF3COOH"	115.000138
"1158673"	174.586951	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3ACN+2H"	125.094202
"1708952"	356.106385	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4+CF3COOH"	132.026685
"1636222"	361.06178	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+CF3COOH"	136.98208
"1576247"	377.03572	"C02794"	"3-Hydroxykynurenine;3-Hydroxy-DL-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K+CF3COOH"	152.95602
"805521"	145.0528	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M"	0
"987803"	126.03441	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-H2O-H"	-19.01839
"73858"	95.6945906666667	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M-3H"	-3.021828
"510138"	144.045524	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M-3H"	-3.021828
"883565"	47.3436573333333	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-3H"	-3.021828
"5420"	144.045524	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M-2H"	-2.014552
"448262"	216.571924	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M-2H"	-2.014552
"824971"	71.519124	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-2H"	-2.014552
"89338"	289.098324	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M-H"	-1.007276
"524525"	434.151124	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M-H"	-1.007276
"898677"	144.045524	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-H"	-1.007276
"49407"	306.124871	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M-2H+NH4"	16.019271
"491159"	451.177671	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M-2H+NH4"	16.019271
"868229"	161.072071	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-2H+NH4"	16.019271
"36133"	311.080266	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M-2H+Na"	20.974666
"474963"	456.133066	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M-2H+Na"	20.974666
"852036"	166.027466	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-2H+Na"	20.974666
"1622298"	166.027466	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Na-2H"	20.974666
"96272"	162.033863	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M-H+Cl"	33.962126
"536561"	234.560263	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M-H+Cl"	33.962126
"932266"	89.507463	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-H+Cl"	33.962126
"271187"	325.075002	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+Cl"	34.969402
"667254"	470.127802	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+Cl"	34.969402
"1275649"	180.022202	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Cl"	34.969402
"18206"	327.054206	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M-2H+K"	36.948606
"456555"	472.107006	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M-2H+K"	36.948606
"833183"	182.001406	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-2H+K"	36.948606
"1555749"	182.001406	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+K-2H"	36.948606
"944390"	190.050994	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-H+HCOOH"	44.998194
"362973"	335.103801	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+HCOOH-H"	44.998201
"345919"	349.119451	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+Hac-H"	59.013851
"1494594"	204.066651	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Hac-H"	59.013851
"960315"	212.032951	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-H+NaCOOH"	66.980151
"113232"	180.022202	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+2Cl"	69.938804
"560082"	252.548602	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+2Cl"	69.938804
"1034350"	107.495802	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2Cl"	69.938804
"1250648"	223.971685	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Br"	78.918885
"1318931"	226.027672	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Cl+HCOOH"	80.974872
"1332782"	248.009629	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Cl+NaCOOH"	102.956829
"925300"	258.038386	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M-H+CF3COOH"	112.985586
"1301645"	294.015064	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Cl+CF3COOH"	148.962264
"1376525"	110.040124	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H-2H2O"	-35.012676
"1389650"	128.0501	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H-H2O"	-17.0027
"290428"	291.112876	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+H"	1.007276
"683943"	436.165676	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+H"	1.007276
"1363571"	146.060076	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H"	1.007276
"134274"	146.060076	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+2H"	2.014552
"569461"	218.586476	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+2H"	2.014552
"1040087"	73.533676	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2H"	2.014552
"206893"	97.7091426666667	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+3H"	3.021828
"647912"	146.060076	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+3H"	3.021828
"1167129"	49.3582093333333	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+3H"	3.021828
"427848"	308.139423	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+NH4"	18.033823
"790302"	453.192223	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+NH4"	18.033823
"1689914"	163.086623	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+NH4"	18.033823
"339286"	154.5733495	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+H+NH4"	19.041099
"736811"	227.0997495	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+H+NH4"	19.041099
"1490995"	82.0469495	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H+NH4"	19.041099
"406760"	313.094818	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+Na"	22.989218
"768362"	458.147618	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+Na"	22.989218
"1613303"	168.042018	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Na"	22.989218
"326254"	157.051047	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+H+Na"	23.996494
"713571"	229.577447	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+H+Na"	23.996494
"1463022"	84.524647	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H+Na"	23.996494
"1055536"	56.6855233333333	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2H+Na"	25.00377
"1258687"	178.086286	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+CH3OH+H"	33.033486
"385287"	329.068758	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+K"	38.963158
"749562"	474.121558	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+K"	38.963158
"1551258"	184.015958	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+K"	38.963158
"308065"	165.038017	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+H+K"	39.970434
"705229"	237.564417	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+H+K"	39.970434
"1460996"	92.511617	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H+K"	39.970434
"249841"	332.139426	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+ACN+H"	42.033826
"1220729"	187.086626	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+ACN+H"	42.033826
"1201330"	94.046951	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+ACN+2H"	43.041102
"198574"	335.07676	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+2Na-H"	44.97116
"635948"	480.12956	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+2Na-H"	44.97116
"1134355"	190.02396	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2Na-H"	44.97116
"174729"	168.042018	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+2Na"	45.978436
"616842"	240.568418	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+2Na"	45.978436
"1120348"	95.515618	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2Na"	45.978436
"1406058"	64.0128373333333	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H+2Na"	46.985712
"1431736"	192.065546	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H+HCOOH"	47.012746
"224591"	173.07504	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+3H2O+2H"	56.04448
"1511561"	206.11759	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+IsoProp+H"	61.06479
"410880"	176.028988	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+Na+K"	61.952376
"772606"	248.555388	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+Na+K"	61.952376
"1666503"	103.502588	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Na+K"	61.952376
"254724"	354.121368	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+ACN+Na"	64.015768
"1226700"	209.068568	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+ACN+Na"	64.015768
"1715587"	209.092093	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+NH4+HCOOH"	64.039293
"1179848"	71.3401513333333	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+3Na"	68.967654
"1653026"	214.047488	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Na+HCOOH"	68.994688
"159886"	367.02464	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+2K-H"	76.91904
"599083"	512.07744	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+2K-H"	76.91904
"1090525"	221.97184	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2K-H"	76.91904
"150625"	184.015958	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"2M+2K"	77.926316
"591277"	256.542358	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"3M+2K"	77.926316
"1079075"	111.489558	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2K"	77.926316
"1110095"	223.986392	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2K+H"	78.933592
"1345385"	224.074007	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+DMSO+H"	79.021207
"1015006"	228.113176	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2ACN+H"	83.060376
"1530944"	229.106808	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+IsoProp+Na+H"	84.054008
"1001772"	114.560226	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+2ACN+2H"	84.067652
"1599556"	230.021428	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+K+HCOOH"	84.968628
"1425215"	260.052938	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+H+CF3COOH"	115.000138
"1159877"	135.073501	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+3ACN+2H"	125.094202
"1709426"	277.079485	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+NH4+CF3COOH"	132.026685
"1638519"	282.03488	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+Na+CF3COOH"	136.98208
"1575264"	298.00882	"C02796"	"3-Methyleneoxindole"	"C9H7NO"	"145.0528"	"M+K+CF3COOH"	152.95602
"805631"	274.2297	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M"	0
"985726"	255.21131	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-H2O-H"	-19.01839
"71781"	181.812524	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M-3H"	-3.021828
"511341"	273.222424	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M-3H"	-3.021828
"881122"	90.402624	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-3H"	-3.021828
"1520"	273.222424	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M-2H"	-2.014552
"445092"	410.337274	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M-2H"	-2.014552
"823988"	136.107574	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-2H"	-2.014552
"89448"	547.452124	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M-H"	-1.007276
"524635"	821.681824	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M-H"	-1.007276
"898423"	273.222424	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-H"	-1.007276
"48424"	564.478671	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M-2H+NH4"	16.019271
"491269"	838.708371	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M-2H+NH4"	16.019271
"867610"	290.248971	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-2H+NH4"	16.019271
"34420"	569.434066	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M-2H+Na"	20.974666
"475437"	843.663766	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M-2H+Na"	20.974666
"853239"	295.204366	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-2H+Na"	20.974666
"1623866"	295.204366	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Na-2H"	20.974666
"96016"	291.210763	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M-H+Cl"	33.962126
"537400"	428.325613	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M-H+Cl"	33.962126
"932376"	154.095913	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-H+Cl"	33.962126
"272026"	583.428802	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+Cl"	34.969402
"665177"	857.658502	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+Cl"	34.969402
"1275394"	309.199102	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Cl"	34.969402
"19045"	585.408006	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M-2H+K"	36.948606
"457880"	859.637706	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M-2H+K"	36.948606
"835317"	311.178306	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-2H+K"	36.948606
"1556618"	311.178306	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+K-2H"	36.948606
"946685"	319.227894	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-H+HCOOH"	44.998194
"361513"	593.457601	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+HCOOH-H"	44.998201
"345866"	607.473251	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+Hac-H"	59.013851
"1493852"	333.243551	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Hac-H"	59.013851
"960424"	341.209851	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-H+NaCOOH"	66.980151
"115161"	309.199102	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+2Cl"	69.938804
"555816"	446.313952	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+2Cl"	69.938804
"1025709"	172.084252	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2Cl"	69.938804
"1250757"	353.148585	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Br"	78.918885
"1318677"	355.204572	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Cl+HCOOH"	80.974872
"1332528"	377.186529	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Cl+NaCOOH"	102.956829
"923951"	387.215286	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M-H+CF3COOH"	112.985586
"1300661"	423.191964	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Cl+CF3COOH"	148.962264
"1375543"	239.217024	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H-2H2O"	-35.012676
"1386480"	257.227	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H-H2O"	-17.0027
"288352"	549.466676	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+H"	1.007276
"680773"	823.696376	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+H"	1.007276
"1362587"	275.236976	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H"	1.007276
"136570"	275.236976	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+2H"	2.014552
"569570"	412.351826	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+2H"	2.014552
"1038011"	138.122126	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2H"	2.014552
"205908"	183.827076	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+3H"	3.021828
"647657"	275.236976	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+3H"	3.021828
"1166510"	92.417176	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+3H"	3.021828
"427958"	566.493223	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+NH4"	18.033823
"791871"	840.722923	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+NH4"	18.033823
"1690024"	292.263523	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+NH4"	18.033823
"339396"	283.7502495	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+H+NH4"	19.041099
"735827"	420.8650995	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+H+NH4"	19.041099
"1488917"	146.6353995	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H+NH4"	19.041099
"405411"	571.448618	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+Na"	22.989218
"766407"	845.678318	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+Na"	22.989218
"1612318"	297.218918	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Na"	22.989218
"322354"	286.227947	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+H+Na"	23.996494
"713681"	423.342797	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+H+Na"	23.996494
"1463133"	149.113097	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H+Na"	23.996494
"1054194"	99.74449	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2H+Na"	25.00377
"1258797"	307.263186	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+CH3OH+H"	33.033486
"384300"	587.422558	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+K"	38.963158
"743112"	861.652258	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+K"	38.963158
"1550637"	313.192858	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+K"	38.963158
"307810"	294.214917	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+H+K"	39.970434
"705827"	431.329767	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+H+K"	39.970434
"1460622"	157.100067	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H+K"	39.970434
"250073"	590.493226	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+ACN+H"	42.033826
"1220839"	316.263526	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+ACN+H"	42.033826
"1203628"	158.635401	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+ACN+2H"	43.041102
"200871"	593.43056	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+2Na-H"	44.97116
"640068"	867.66026	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+2Na-H"	44.97116
"1135194"	319.20086	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2Na-H"	44.97116
"174110"	297.218918	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+2Na"	45.978436
"614765"	434.333768	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+2Na"	45.978436
"1117299"	160.104068	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2Na"	45.978436
"1403981"	107.071804	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H+2Na"	46.985712
"1430091"	321.242446	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H+HCOOH"	47.012746
"222635"	302.25194	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+3H2O+2H"	56.04448
"1511670"	335.29449	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+IsoProp+H"	61.06479
"411354"	305.205888	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+Na+K"	61.952376
"775631"	442.320738	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+Na+K"	61.952376
"1666857"	168.091038	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Na+K"	61.952376
"254106"	612.475168	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+ACN+Na"	64.015768
"1226447"	338.245468	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+ACN+Na"	64.015768
"1714238"	338.268993	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+NH4+HCOOH"	64.039293
"1179188"	114.399118	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+3Na"	68.967654
"1653136"	343.224388	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Na+HCOOH"	68.994688
"159996"	625.37844	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+2K-H"	76.91904
"597978"	899.60814	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+2K-H"	76.91904
"1091728"	351.14874	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2K-H"	76.91904
"149643"	313.192858	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"2M+2K"	77.926316
"588107"	450.307708	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"3M+2K"	77.926316
"1080278"	176.078008	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2K"	77.926316
"1109112"	353.163292	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2K+H"	78.933592
"1345495"	353.250907	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+DMSO+H"	79.021207
"1014023"	357.290076	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2ACN+H"	83.060376
"1532147"	358.283708	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+IsoProp+Na+H"	84.054008
"1001882"	179.148676	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+2ACN+2H"	84.067652
"1599666"	359.198328	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+K+HCOOH"	84.968628
"1425325"	389.229838	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+H+CF3COOH"	115.000138
"1159987"	199.661951	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+3ACN+2H"	125.094202
"1709536"	406.256385	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+NH4+CF3COOH"	132.026685
"1638629"	411.21178	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+Na+CF3COOH"	136.98208
"1575374"	427.18572	"C02797"	"3-Oxo-5beta-steroid"	"C19H30O"	"274.2297"	"M+K+CF3COOH"	152.95602
"805741"	167.9824	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M"	0
"985836"	148.96401	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-H2O-H"	-19.01839
"71891"	110.980990666667	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M-3H"	-3.021828
"511451"	166.975124	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M-3H"	-3.021828
"881598"	54.9868573333333	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-3H"	-3.021828
"1265"	166.975124	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M-2H"	-2.014552
"443015"	250.966324	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M-2H"	-2.014552
"821911"	82.983924	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-2H"	-2.014552
"87371"	334.957524	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M-H"	-1.007276
"525838"	502.939924	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M-H"	-1.007276
"899628"	166.975124	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-H"	-1.007276
"48648"	351.984071	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M-2H+NH4"	16.019271
"491743"	519.966471	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M-2H+NH4"	16.019271
"866262"	184.001671	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-2H+NH4"	16.019271
"38906"	356.939466	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M-2H+Na"	20.974666
"476643"	524.921866	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M-2H+Na"	20.974666
"854080"	188.957066	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-2H+Na"	20.974666
"1624706"	188.957066	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Na-2H"	20.974666
"98316"	184.963463	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M-H+Cl"	33.962126
"538607"	268.954663	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M-H+Cl"	33.962126
"933215"	100.972263	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-H+Cl"	33.962126
"273960"	370.934202	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+Cl"	34.969402
"666382"	538.916602	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+Cl"	34.969402
"1275504"	202.951802	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Cl"	34.969402
"20249"	372.913406	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M-2H+K"	36.948606
"457140"	540.895806	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M-2H+K"	36.948606
"836520"	204.931006	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-2H+K"	36.948606
"1557820"	204.931006	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+K-2H"	36.948606
"946795"	212.980594	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-H+HCOOH"	44.998194
"362945"	380.963001	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+HCOOH-H"	44.998201
"346340"	394.978651	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+Hac-H"	59.013851
"1495542"	226.996251	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Hac-H"	59.013851
"961262"	234.962551	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-H+NaCOOH"	66.980151
"115271"	202.951802	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+2Cl"	69.938804
"550821"	286.943002	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+2Cl"	69.938804
"1022659"	118.960602	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2Cl"	69.938804
"1247587"	246.901285	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Br"	78.918885
"1319638"	248.957272	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Cl+HCOOH"	80.974872
"1327535"	270.939229	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Cl+NaCOOH"	102.956829
"921875"	280.967986	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M-H+CF3COOH"	112.985586
"1294211"	316.944664	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Cl+CF3COOH"	148.962264
"1370185"	132.969724	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H-2H2O"	-35.012676
"1385859"	150.9797	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H-H2O"	-17.0027
"284452"	336.972076	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+H"	1.007276
"677601"	504.954476	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+H"	1.007276
"1357230"	168.989676	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H"	1.007276
"134493"	168.989676	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+2H"	2.014552
"567127"	252.980876	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+2H"	2.014552
"1038849"	84.998476	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2H"	2.014552
"205289"	112.995542666667	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+3H"	3.021828
"644485"	168.989676	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+3H"	3.021828
"1165528"	57.0014093333333	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+3H"	3.021828
"426246"	353.998623	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+NH4"	18.033823
"786874"	521.981023	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+NH4"	18.033823
"1685030"	186.016223	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+NH4"	18.033823
"337319"	177.5029495	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+H+NH4"	19.041099
"733021"	261.4941495	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+H+NH4"	19.041099
"1487933"	93.5117495	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H+NH4"	19.041099
"401147"	358.954018	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+Na"	22.989218
"763234"	526.936418	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+Na"	22.989218
"1612429"	190.971618	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Na"	22.989218
"324652"	179.980647	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+H+Na"	23.996494
"713792"	263.971847	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+H+Na"	23.996494
"1461906"	95.989447	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H+Na"	23.996494
"1053207"	64.3287233333333	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2H+Na"	25.00377
"1259271"	201.015886	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+CH3OH+H"	33.033486
"385139"	374.927958	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+K"	38.963158
"741761"	542.910358	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+K"	38.963158
"1552569"	206.945558	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+K"	38.963158
"309013"	187.967617	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+H+K"	39.970434
"705577"	271.958817	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+H+K"	39.970434
"1460368"	103.976417	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H+K"	39.970434
"250425"	377.998626	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+ACN+H"	42.033826
"1220950"	210.016226	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+ACN+H"	42.033826
"1206655"	105.511751	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+ACN+2H"	43.041102
"202074"	380.93596	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+2Na-H"	44.97116
"642001"	548.91836	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+2Na-H"	44.97116
"1136397"	212.95356	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2Na-H"	44.97116
"177500"	190.971618	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+2Na"	45.978436
"617061"	274.962818	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+2Na"	45.978436
"1119474"	106.980418	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2Na"	45.978436
"1406278"	71.6560373333333	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H+2Na"	46.985712
"1430859"	214.995146	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H+HCOOH"	47.012746
"223717"	196.00464	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+3H2O+2H"	56.04448
"1513966"	229.04719	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+IsoProp+H"	61.06479
"412557"	198.958588	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+Na+K"	61.952376
"775741"	282.949788	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+Na+K"	61.952376
"1667697"	114.967388	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Na+K"	61.952376
"254216"	399.980568	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+ACN+Na"	64.015768
"1227288"	231.998168	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+ACN+Na"	64.015768
"1714349"	232.021693	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+NH4+HCOOH"	64.039293
"1180434"	78.9833513333333	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+3Na"	68.967654
"1653246"	236.977088	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Na+HCOOH"	68.994688
"159376"	412.88384	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+2K-H"	76.91904
"598574"	580.86624	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+2K-H"	76.91904
"1092931"	244.90144	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2K-H"	76.91904
"155463"	206.945558	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"2M+2K"	77.926316
"591497"	290.936758	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"3M+2K"	77.926316
"1082574"	122.954358	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2K"	77.926316
"1114812"	246.915992	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2K+H"	78.933592
"1347791"	247.003607	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+DMSO+H"	79.021207
"1013040"	251.042776	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2ACN+H"	83.060376
"1531164"	252.036408	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+IsoProp+Na+H"	84.054008
"1001989"	126.025026	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+2ACN+2H"	84.067652
"1601597"	252.951028	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+K+HCOOH"	84.968628
"1423244"	282.982538	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+H+CF3COOH"	115.000138
"1161555"	146.538301	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+3ACN+2H"	125.094202
"1706366"	300.009085	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+NH4+CF3COOH"	132.026685
"1640926"	304.96448	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+Na+CF3COOH"	136.98208
"1573297"	320.93842	"C02798"	"3-Phosphonopyruvate"	"C3H5O6P"	"167.9824"	"M+K+CF3COOH"	152.95602
"809131"	130.0266	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M"	0
"985946"	111.00821	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H2O-H"	-19.01839
"72001"	85.677124	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-3H"	-3.021828
"510467"	129.019324	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-3H"	-3.021828
"882072"	42.334924	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-3H"	-3.021828
"3563"	129.019324	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H"	-2.014552
"445312"	194.032624	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H"	-2.014552
"822021"	64.006024	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H"	-2.014552
"89670"	259.045924	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-H"	-1.007276
"523761"	389.072524	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-H"	-1.007276
"899375"	129.019324	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H"	-1.007276
"58127"	276.072471	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H+NH4"	16.019271
"499874"	406.099071	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H+NH4"	16.019271
"873302"	146.045871	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H+NH4"	16.019271
"41206"	281.027866	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H+Na"	20.974666
"476753"	411.054466	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H+Na"	20.974666
"857472"	151.001266	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H+Na"	20.974666
"1619588"	151.001266	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na-2H"	20.974666
"98428"	147.007663	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-H+Cl"	33.962126
"538352"	212.020963	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-H+Cl"	33.962126
"931142"	81.994363	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+Cl"	33.962126
"271886"	295.022602	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Cl"	34.969402
"669772"	425.049202	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+Cl"	34.969402
"1278895"	164.996002	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl"	34.969402
"20359"	297.001806	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M-2H+K"	36.948606
"457737"	427.028406	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M-2H+K"	36.948606
"836630"	166.975206	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-2H+K"	36.948606
"1560117"	166.975206	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K-2H"	36.948606
"945811"	175.024794	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+HCOOH"	44.998194
"366214"	305.051401	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+HCOOH-H"	44.998201
"349005"	319.067051	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Hac-H"	59.013851
"1494923"	189.040451	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Hac-H"	59.013851
"962102"	197.006751	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+NaCOOH"	66.980151
"114288"	164.996002	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2Cl"	69.938804
"550810"	230.009302	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2Cl"	69.938804
"1021916"	99.982702	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2Cl"	69.938804
"1248791"	208.945485	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Br"	78.918885
"1319782"	211.001472	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl+HCOOH"	80.974872
"1333112"	232.983429	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl+NaCOOH"	102.956829
"923078"	243.012186	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M-H+CF3COOH"	112.985586
"1295414"	278.988864	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Cl+CF3COOH"	148.962264
"1374669"	95.013924	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H-2H2O"	-35.012676
"1391072"	113.0239	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H-H2O"	-17.0027
"288573"	261.060476	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H"	1.007276
"684274"	391.087076	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H"	1.007276
"1359529"	131.033876	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H"	1.007276
"137885"	131.033876	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2H"	2.014552
"569428"	196.047176	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2H"	2.014552
"1038959"	66.020576	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2H"	2.014552
"206857"	87.691676	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+3H"	3.021828
"646784"	131.033876	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+3H"	3.021828
"1166366"	44.349476	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+3H"	3.021828
"429272"	278.087023	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+NH4"	18.033823
"790632"	408.113623	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+NH4"	18.033823
"1688058"	148.060423	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+NH4"	18.033823
"338523"	139.5471495	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H+NH4"	19.041099
"734224"	204.5604495	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H+NH4"	19.041099
"1488045"	74.5338495	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+NH4"	19.041099
"402354"	283.042418	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Na"	22.989218
"765533"	413.069018	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+Na"	22.989218
"1613631"	153.015818	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na"	22.989218
"324761"	142.024847	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H+Na"	23.996494
"718275"	207.038147	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H+Na"	23.996494
"1464442"	77.011547	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+Na"	23.996494
"1054047"	51.67679	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2H+Na"	25.00377
"1258280"	163.060086	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+CH3OH+H"	33.033486
"379052"	299.016358	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+K"	38.963158
"743330"	429.042958	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+K"	38.963158
"1542468"	168.989758	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K"	38.963158
"300370"	150.011817	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+H+K"	39.970434
"706957"	215.025117	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+H+K"	39.970434
"1459747"	84.998517	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+K"	39.970434
"248348"	302.087026	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+ACN+H"	42.033826
"1219965"	172.060426	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+ACN+H"	42.033826
"1203845"	86.533851	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+ACN+2H"	43.041102
"196717"	305.02436	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2Na-H"	44.97116
"638465"	435.05096	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2Na-H"	44.97116
"1134318"	174.99776	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2Na-H"	44.97116
"176514"	153.015818	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2Na"	45.978436
"617169"	218.029118	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2Na"	45.978436
"1121770"	88.002518	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2Na"	45.978436
"1403105"	59.004104	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+2Na"	46.985712
"1435219"	177.039346	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+HCOOH"	47.012746
"226008"	158.04884	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+3H2O+2H"	56.04448
"1511157"	191.09139	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+IsoProp+H"	61.06479
"411203"	161.002788	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+Na+K"	61.952376
"771836"	226.016088	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+Na+K"	61.952376
"1667431"	95.989488	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na+K"	61.952376
"252987"	324.068968	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+ACN+Na"	64.015768
"1228854"	194.042368	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+ACN+Na"	64.015768
"1717011"	194.065893	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+NH4+HCOOH"	64.039293
"1181272"	66.331418	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+3Na"	68.967654
"1653356"	199.021288	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na+HCOOH"	68.994688
"161308"	336.97224	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2K-H"	76.91904
"600141"	466.99884	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2K-H"	76.91904
"1089762"	206.94564	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2K-H"	76.91904
"150956"	168.989758	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"2M+2K"	77.926316
"591607"	234.003058	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"3M+2K"	77.926316
"1080498"	103.976458	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2K"	77.926316
"1111516"	208.960192	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2K+H"	78.933592
"1347901"	209.047807	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+DMSO+H"	79.021207
"1013150"	213.086976	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2ACN+H"	83.060376
"1531272"	214.080608	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+IsoProp+Na+H"	84.054008
"999912"	107.047126	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+2ACN+2H"	84.067652
"1593320"	214.995228	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K+HCOOH"	84.968628
"1422261"	245.026738	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+H+CF3COOH"	115.000138
"1155828"	127.560401	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+3ACN+2H"	125.094202
"1706476"	262.053285	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+NH4+CF3COOH"	132.026685
"1641036"	267.00868	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+Na+CF3COOH"	136.98208
"1572677"	282.98262	"C02800"	"45-Dioxopentanoate;4-Oxoglutarate semialdehyde"	"C5H6O4"	"130.0266"	"M+K+CF3COOH"	152.95602
"801550"	852.168	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M"	0
"982775"	833.14961	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H2O-H"	-19.01839
"72111"	567.104724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-3H"	-3.021828
"507297"	851.160724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-3H"	-3.021828
"880276"	283.048724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-3H"	-3.021828
"3673"	851.160724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H"	-2.014552
"441168"	1277.244724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H"	-2.014552
"818849"	425.076724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H"	-2.014552
"87593"	1703.328724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-H"	-1.007276
"522048"	2555.496724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-H"	-1.007276
"898390"	851.160724	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H"	-1.007276
"53864"	1720.355271	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+NH4"	16.019271
"498891"	2572.523271	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+NH4"	16.019271
"872319"	868.187271	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+NH4"	16.019271
"41316"	1725.310666	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+Na"	20.974666
"476863"	2577.478666	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+Na"	20.974666
"857584"	873.142666	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+Na"	20.974666
"1618766"	873.142666	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na-2H"	20.974666
"101454"	869.149063	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-H+Cl"	33.962126
"536275"	1295.233063	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-H+Cl"	33.962126
"931252"	443.065063	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+Cl"	33.962126
"271996"	1739.305402	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Cl"	34.969402
"668790"	2591.473402	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Cl"	34.969402
"1277183"	887.137402	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl"	34.969402
"18281"	1741.284606	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+K"	36.948606
"456876"	2593.452606	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+K"	36.948606
"834189"	889.116606	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+K"	36.948606
"1559133"	889.116606	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K-2H"	36.948606
"943856"	897.166194	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+HCOOH"	44.998194
"364138"	1749.334201	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+HCOOH-H"	44.998201
"346199"	1763.349851	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Hac-H"	59.013851
"1495763"	911.181851	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Hac-H"	59.013851
"966586"	919.148151	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+NaCOOH"	66.980151
"113305"	887.137402	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Cl"	69.938804
"550799"	1313.221402	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Cl"	69.938804
"1026039"	461.053402	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Cl"	69.938804
"1247809"	931.086885	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Br"	78.918885
"1317913"	933.142872	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+HCOOH"	80.974872
"1331035"	955.124829	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+NaCOOH"	102.956829
"919908"	965.153586	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+CF3COOH"	112.985586
"1294432"	1001.130264	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+CF3COOH"	148.962264
"1369312"	817.155324	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H-2H2O"	-35.012676
"1386808"	835.1653	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H-H2O"	-17.0027
"286496"	1705.343276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H"	1.007276
"681104"	2557.511276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H"	1.007276
"1356358"	853.175276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H"	1.007276
"132528"	853.175276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2H"	2.014552
"566986"	1279.259276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2H"	2.014552
"1039433"	427.091276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2H"	2.014552
"205874"	569.119276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+3H"	3.021828
"645070"	853.175276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+3H"	3.021828
"1163195"	285.063276	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3H"	3.021828
"427196"	1722.369823	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+NH4"	18.033823
"790743"	2574.537823	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+NH4"	18.033823
"1684886"	870.201823	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4"	18.033823
"337540"	861.6885495	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+NH4"	19.041099
"731054"	1287.7725495	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+NH4"	19.041099
"1488155"	435.6045495	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+NH4"	19.041099
"403554"	1727.325218	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Na"	22.989218
"763457"	2579.493218	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Na"	22.989218
"1613742"	875.157218	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na"	22.989218
"325964"	864.166247	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+Na"	23.996494
"718385"	1290.250247	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+Na"	23.996494
"1465645"	438.082247	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+Na"	23.996494
"1054521"	292.39059	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2H+Na"	25.00377
"1257782"	885.201486	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+CH3OH+H"	33.033486
"377935"	1743.299158	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+K"	38.963158
"738854"	2595.467158	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+K"	38.963158
"1542577"	891.131158	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K"	38.963158
"299387"	872.153217	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+K"	39.970434
"706034"	1298.237217	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+K"	39.970434
"1458762"	446.069217	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+K"	39.970434
"248456"	1746.369826	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+ACN+H"	42.033826
"1218979"	894.201826	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+H"	42.033826
"1205050"	447.604551	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+2H"	43.041102
"197922"	1749.30716	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Na-H"	44.97116
"638577"	2601.47516	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Na-H"	44.97116
"1140987"	897.13916	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Na-H"	44.97116
"177719"	875.157218	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Na"	45.978436
"617280"	1301.241218	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Na"	45.978436
"1125161"	449.073218	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Na"	45.978436
"1403216"	299.717904	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+2Na"	46.985712
"1433143"	899.180746	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+HCOOH"	47.012746
"223932"	880.19024	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+3H2O+2H"	56.04448
"1509320"	913.23279	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+IsoProp+H"	61.06479
"411313"	883.144188	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Na+K"	61.952376
"771581"	1309.228188	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Na+K"	61.952376
"1666569"	457.060188	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+K"	61.952376
"254798"	1768.351768	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+ACN+Na"	64.015768
"1228598"	916.183768	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+Na"	64.015768
"1714205"	916.207293	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4+HCOOH"	64.039293
"1180289"	307.045218	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3Na"	68.967654
"1654922"	921.162688	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+HCOOH"	68.994688
"159959"	1781.25504	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2K-H"	76.91904
"600980"	2633.42304	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2K-H"	76.91904
"1090965"	929.08704	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K-H"	76.91904
"148873"	891.131158	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2K"	77.926316
"591717"	1317.215158	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2K"	77.926316
"1080607"	465.047158	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K"	77.926316
"1108346"	931.101592	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K+H"	78.933592
"1344729"	931.189207	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+DMSO+H"	79.021207
"1013260"	935.228376	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2ACN+H"	83.060376
"1532475"	936.222008	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+IsoProp+Na+H"	84.054008
"997834"	468.117826	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2ACN+2H"	84.067652
"1595616"	937.136628	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K+HCOOH"	84.968628
"1421278"	967.168138	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+CF3COOH"	115.000138
"1149742"	488.631101	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3ACN+2H"	125.094202
"1706586"	984.194685	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4+CF3COOH"	132.026685
"1637866"	989.15008	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+CF3COOH"	136.98208
"1572787"	1005.12402	"C02801"	"4-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K+CF3COOH"	152.95602
"801370"	889.132	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M"	0
"982885"	870.11361	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H2O-H"	-19.01839
"72221"	591.747390666667	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-3H"	-3.021828
"506314"	888.124724	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-3H"	-3.021828
"879941"	295.370057333333	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-3H"	-3.021828
"3783"	888.124724	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H"	-2.014552
"441278"	1332.690724	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H"	-2.014552
"818595"	443.558724	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H"	-2.014552
"82234"	1777.256724	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-H"	-1.007276
"519972"	2666.388724	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-H"	-1.007276
"897041"	888.124724	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H"	-1.007276
"56160"	1794.283271	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+NH4"	16.019271
"497906"	2683.415271	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+NH4"	16.019271
"874616"	905.151271	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+NH4"	16.019271
"41426"	1799.238666	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+Na"	20.974666
"476609"	2688.370666	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+Na"	20.974666
"858787"	910.106666	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+Na"	20.974666
"1619566"	910.106666	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na-2H"	20.974666
"100471"	906.113063	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-H+Cl"	33.962126
"535656"	1350.679063	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-H+Cl"	33.962126
"930269"	461.547063	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+Cl"	33.962126
"269920"	1813.233402	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Cl"	34.969402
"666714"	2702.365402	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Cl"	34.969402
"1275835"	924.101402	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl"	34.969402
"16569"	1815.212606	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M-2H+K"	36.948606
"455929"	2704.344606	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M-2H+K"	36.948606
"834665"	926.080606	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-2H+K"	36.948606
"1560338"	926.080606	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K-2H"	36.948606
"946032"	934.130194	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+HCOOH"	44.998194
"362428"	1823.262201	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+HCOOH-H"	44.998201
"352508"	1837.277851	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Hac-H"	59.013851
"1495873"	948.145851	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Hac-H"	59.013851
"965602"	956.112151	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+NaCOOH"	66.980151
"114509"	924.101402	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Cl"	69.938804
"550786"	1368.667402	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Cl"	69.938804
"1026150"	479.535402	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Cl"	69.938804
"1245727"	968.050885	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Br"	78.918885
"1309269"	970.106872	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+HCOOH"	80.974872
"1325674"	992.088829	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+NaCOOH"	102.956829
"923295"	1002.117586	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M-H+CF3COOH"	112.985586
"1291262"	1038.094264	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Cl+CF3COOH"	148.962264
"1367721"	854.119324	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H-2H2O"	-35.012676
"1384732"	872.1293	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H-H2O"	-17.0027
"285512"	1779.271276	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H"	1.007276
"681214"	2668.403276	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H"	1.007276
"1354646"	890.139276	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H"	1.007276
"132638"	890.139276	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2H"	2.014552
"568190"	1334.705276	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2H"	2.014552
"1037964"	445.573276	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2H"	2.014552
"205256"	593.761942666667	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+3H"	3.021828
"646274"	890.139276	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+3H"	3.021828
"1164763"	297.384609333333	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3H"	3.021828
"425483"	1796.297823	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+NH4"	18.033823
"791946"	2685.429823	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+NH4"	18.033823
"1684266"	907.165823	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4"	18.033823
"336556"	898.6525495	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+NH4"	19.041099
"732258"	1343.2185495	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+NH4"	19.041099
"1488265"	454.0865495	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+NH4"	19.041099
"400386"	1801.253218	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Na"	22.989218
"763566"	2690.385218	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Na"	22.989218
"1612757"	912.121218	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na"	22.989218
"323887"	901.130247	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+Na"	23.996494
"718494"	1345.696247	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+Na"	23.996494
"1465028"	456.564247	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+Na"	23.996494
"1053903"	304.711923333333	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2H+Na"	25.00377
"1257202"	922.165486	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+CH3OH+H"	33.033486
"378166"	1817.227158	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+K"	38.963158
"739282"	2706.359158	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+K"	38.963158
"1546695"	928.095158	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K"	38.963158
"300225"	909.117217	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+H+K"	39.970434
"693374"	1353.683217	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+H+K"	39.970434
"1460776"	464.551217	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+K"	39.970434
"249659"	1820.297826	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+ACN+H"	42.033826
"1220182"	931.165826	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+H"	42.033826
"1201879"	466.086551	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+2H"	43.041102
"199125"	1823.23516	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Na-H"	44.97116
"640873"	2712.36716	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Na-H"	44.97116
"1141097"	934.10316	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Na-H"	44.97116
"183296"	912.121218	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2Na"	45.978436
"620670"	1356.687218	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2Na"	45.978436
"1124177"	467.555218	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2Na"	45.978436
"1406606"	312.039237333333	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+2Na"	46.985712
"1432160"	936.144746	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+HCOOH"	47.012746
"221855"	917.15424	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+3H2O+2H"	56.04448
"1508945"	950.19679	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+IsoProp+H"	61.06479
"409602"	920.108188	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+Na+K"	61.952376
"771691"	1364.674188	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+Na+K"	61.952376
"1665954"	475.542188	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+K"	61.952376
"252721"	1842.279768	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+ACN+Na"	64.015768
"1229438"	953.147768	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+ACN+Na"	64.015768
"1715043"	953.171293	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4+HCOOH"	64.039293
"1179670"	319.366551333333	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3Na"	68.967654
"1655032"	958.126688	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+HCOOH"	68.994688
"160434"	1855.18304	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2K-H"	76.91904
"601454"	2744.31504	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2K-H"	76.91904
"1088888"	966.05104	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K-H"	76.91904
"147890"	928.095158	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"2M+2K"	77.926316
"591827"	1372.661158	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"3M+2K"	77.926316
"1082297"	483.529158	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K"	77.926316
"1105176"	968.065592	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2K+H"	78.933592
"1344839"	968.153207	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+DMSO+H"	79.021207
"1014462"	972.192376	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2ACN+H"	83.060376
"1531491"	973.186008	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+IsoProp+Na+H"	84.054008
"999037"	486.599826	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+2ACN+2H"	84.067652
"1595727"	974.100628	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K+HCOOH"	84.968628
"1420294"	1004.132138	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+H+CF3COOH"	115.000138
"1152768"	507.113101	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+3ACN+2H"	125.094202
"1700136"	1021.158685	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+NH4+CF3COOH"	132.026685
"1635059"	1026.11408	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+Na+CF3COOH"	136.98208
"1572533"	1042.08802	"C02802"	"4-Fluorobenzoyl-CoA"	"C28H39FN7O17P3S"	"889.132"	"M+K+CF3COOH"	152.95602
"802900"	165.0426	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M"	0
"981902"	146.02421	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-H2O-H"	-19.01839
"69051"	109.021124	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M-3H"	-3.021828
"506424"	164.035324	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M-3H"	-3.021828
"881309"	54.006924	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-3H"	-3.021828
"3893"	164.035324	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M-2H"	-2.014552
"440105"	246.556624	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M-2H"	-2.014552
"819069"	81.514024	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-2H"	-2.014552
"82344"	329.077924	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M-H"	-1.007276
"521175"	494.120524	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M-H"	-1.007276
"897151"	164.035324	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-H"	-1.007276
"56270"	346.104471	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M-2H+NH4"	16.019271
"493643"	511.147071	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M-2H+NH4"	16.019271
"873632"	181.061871	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-2H+NH4"	16.019271
"39349"	351.059866	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M-2H+Na"	20.974666
"476352"	516.102466	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M-2H+Na"	20.974666
"857802"	186.017266	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-2H+Na"	20.974666
"1618738"	186.017266	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Na-2H"	20.974666
"98394"	182.023663	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M-H+Cl"	33.962126
"535159"	264.544963	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M-H+Cl"	33.962126
"930379"	99.502363	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-H+Cl"	33.962126
"270030"	365.054602	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+Cl"	34.969402
"663544"	530.097202	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+Cl"	34.969402
"1275944"	200.012002	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Cl"	34.969402
"17043"	367.033806	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M-2H+K"	36.948606
"457217"	532.076406	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M-2H+K"	36.948606
"833352"	201.991206	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-2H+K"	36.948606
"1557167"	201.991206	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+K-2H"	36.948606
"943103"	210.040794	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-H+HCOOH"	44.998194
"364358"	375.083401	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+HCOOH-H"	44.998201
"348242"	389.099051	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+Hac-H"	59.013851
"1494158"	224.056451	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Hac-H"	59.013851
"959636"	232.022751	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-H+NaCOOH"	66.980151
"111338"	200.012002	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+2Cl"	69.938804
"550653"	282.533302	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+2Cl"	69.938804
"1025165"	117.490702	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2Cl"	69.938804
"1248027"	243.961485	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Br"	78.918885
"1309379"	246.017472	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Cl+HCOOH"	80.974872
"1324689"	267.999429	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Cl+NaCOOH"	102.956829
"923405"	278.028186	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M-H+CF3COOH"	112.985586
"1288771"	314.004864	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Cl+CF3COOH"	148.962264
"1367540"	130.029924	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H-2H2O"	-35.012676
"1383173"	148.0399	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H-H2O"	-17.0027
"284163"	331.092476	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+H"	1.007276
"678408"	496.135076	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+H"	1.007276
"1354756"	166.049876	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H"	1.007276
"128739"	166.049876	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+2H"	2.014552
"566716"	248.571176	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+2H"	2.014552
"1037582"	83.528576	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2H"	2.014552
"204873"	111.035676	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+3H"	3.021828
"645044"	166.049876	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+3H"	3.021828
"1164139"	56.021476	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+3H"	3.021828
"425348"	348.119023	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+NH4"	18.033823
"789141"	513.161623	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+NH4"	18.033823
"1683645"	183.076423	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+NH4"	18.033823
"335571"	174.5631495	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+H+NH4"	19.041099
"727993"	257.0844495	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+H+NH4"	19.041099
"1480720"	92.0418495	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H+NH4"	19.041099
"395025"	353.074418	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+Na"	22.989218
"764770"	518.117018	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+Na"	22.989218
"1613962"	188.031818	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Na"	22.989218
"326183"	177.040847	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+H+Na"	23.996494
"718605"	259.562147	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+H+Na"	23.996494
"1470237"	94.519547	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H+Na"	23.996494
"1054740"	63.34879	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2H+Na"	25.00377
"1259701"	198.076086	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+CH3OH+H"	33.033486
"378398"	369.048358	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+K"	38.963158
"739394"	534.090958	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+K"	38.963158
"1545711"	204.005758	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+K"	38.963158
"302518"	185.027817	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+H+K"	39.970434
"694212"	267.549117	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+H+K"	39.970434
"1453506"	102.506517	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H+K"	39.970434
"246489"	372.119026	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+ACN+H"	42.033826
"1219199"	207.076426	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+ACN+H"	42.033826
"1199802"	104.041851	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+ACN+2H"	43.041102
"193766"	375.05636	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+2Na-H"	44.97116
"635514"	540.09896	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+2Na-H"	44.97116
"1137927"	210.01376	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2Na-H"	44.97116
"182314"	188.031818	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+2Na"	45.978436
"619687"	270.553118	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+2Na"	45.978436
"1121006"	105.510518	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2Na"	45.978436
"1405623"	70.676104	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H+2Na"	46.985712
"1435550"	212.055346	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H+HCOOH"	47.012746
"222328"	193.06484	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+3H2O+2H"	56.04448
"1510753"	226.10739	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+IsoProp+H"	61.06479
"409346"	196.018788	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+Na+K"	61.952376
"771068"	278.540088	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+Na+K"	61.952376
"1667031"	113.497488	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Na+K"	61.952376
"252828"	394.100968	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+ACN+Na"	64.015768
"1227356"	229.058368	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+ACN+Na"	64.015768
"1715512"	229.081893	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+NH4+HCOOH"	64.039293
"1178727"	78.003418	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+3Na"	68.967654
"1653320"	234.037288	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Na+HCOOH"	68.994688
"161637"	407.00424	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+2K-H"	76.91904
"600835"	572.04684	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+2K-H"	76.91904
"1088998"	241.96164	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2K-H"	76.91904
"149093"	204.005758	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"2M+2K"	77.926316
"588657"	286.527058	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"3M+2K"	77.926316
"1080826"	121.484458	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2K"	77.926316
"1106379"	243.976192	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2K+H"	78.933592
"1343856"	244.063807	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+DMSO+H"	79.021207
"1012387"	248.102976	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2ACN+H"	83.060376
"1531601"	249.096608	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+IsoProp+Na+H"	84.054008
"999147"	124.555126	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+2ACN+2H"	84.067652
"1595837"	250.011228	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+K+HCOOH"	84.968628
"1420404"	280.042738	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+H+CF3COOH"	115.000138
"1153971"	145.068401	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+3ACN+2H"	125.094202
"1700246"	297.069285	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+NH4+CF3COOH"	132.026685
"1638086"	302.02468	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+Na+CF3COOH"	136.98208
"1571670"	317.99862	"C02803"	"4-Nitroacetophenone;p-Nitroacetophenone"	"C8H7NO3"	"165.0426"	"M+K+CF3COOH"	152.95602
"803010"	118.063	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M"	0
"983105"	99.04461	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-H2O-H"	-19.01839
"69161"	77.7013906666667	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M-3H"	-3.021828
"506534"	117.055724	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M-3H"	-3.021828
"884335"	38.3470573333333	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-3H"	-3.021828
"5096"	117.055724	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M-2H"	-2.014552
"440282"	176.087224	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M-2H"	-2.014552
"818815"	58.024224	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-2H"	-2.014552
"80631"	235.118724	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M-H"	-1.007276
"522014"	353.181724	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M-H"	-1.007276
"897261"	117.055724	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-H"	-1.007276
"56380"	252.145271	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M-2H+NH4"	16.019271
"494846"	370.208271	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M-2H+NH4"	16.019271
"874835"	134.082271	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-2H+NH4"	16.019271
"42738"	257.100666	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M-2H+Na"	20.974666
"472570"	375.163666	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M-2H+Na"	20.974666
"854632"	139.037666	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-2H+Na"	20.974666
"1619540"	139.037666	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Na-2H"	20.974666
"98504"	135.044063	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M-H+Cl"	33.962126
"537335"	194.075563	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M-H+Cl"	33.962126
"934862"	76.012563	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-H+Cl"	33.962126
"274513"	271.095402	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+Cl"	34.969402
"668028"	389.158402	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+Cl"	34.969402
"1274963"	153.032402	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Cl"	34.969402
"17519"	273.074606	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M-2H+K"	36.948606
"457324"	391.137606	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M-2H+K"	36.948606
"834884"	155.011606	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-2H+K"	36.948606
"1559465"	155.011606	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+K-2H"	36.948606
"944430"	163.061194	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-H+HCOOH"	44.998194
"363738"	281.124201	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+HCOOH-H"	44.998201
"347624"	295.139851	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+Hac-H"	59.013851
"1497185"	177.076851	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Hac-H"	59.013851
"958688"	185.043151	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-H+NaCOOH"	66.980151
"111810"	153.032402	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+2Cl"	69.938804
"550763"	212.063902	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+2Cl"	69.938804
"1023087"	94.000902	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2Cl"	69.938804
"1245948"	196.981885	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Br"	78.918885
"1309493"	199.037872	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Cl+HCOOH"	80.974872
"1328078"	221.019829	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Cl+NaCOOH"	102.956829
"916955"	231.048586	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M-H+CF3COOH"	112.985586
"1289781"	267.025264	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Cl+CF3COOH"	148.962264
"1367329"	83.050324	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H-2H2O"	-35.012676
"1382811"	101.0603	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H-H2O"	-17.0027
"283785"	237.133276	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+H"	1.007276
"679611"	355.196276	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+H"	1.007276
"1353043"	119.070276	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H"	1.007276
"128119"	119.070276	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+2H"	2.014552
"568040"	178.101776	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+2H"	2.014552
"1038305"	60.038776	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2H"	2.014552
"205959"	79.7159426666667	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+3H"	3.021828
"644343"	119.070276	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+3H"	3.021828
"1163275"	40.3616093333333	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+3H"	3.021828
"426065"	254.159823	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+NH4"	18.033823
"789979"	372.222823	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+NH4"	18.033823
"1685578"	136.096823	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+NH4"	18.033823
"335682"	127.5835495	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+H+NH4"	19.041099
"727737"	186.6150495	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+H+NH4"	19.041099
"1481193"	68.5520495	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H+NH4"	19.041099
"395498"	259.115218	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+Na"	22.989218
"765974"	377.178218	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+Na"	22.989218
"1610791"	141.052218	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Na"	22.989218
"324108"	130.061247	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+H+Na"	23.996494
"719808"	189.092747	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+H+Na"	23.996494
"1467067"	71.029747	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H+Na"	23.996494
"1055946"	47.6889233333333	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2H+Na"	25.00377
"1261998"	151.096486	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+CH3OH+H"	33.033486
"378752"	275.089158	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+K"	38.963158
"739019"	393.152158	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+K"	38.963158
"1548008"	157.026158	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+K"	38.963158
"305908"	138.048217	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+H+K"	39.970434
"695048"	197.079717	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+H+K"	39.970434
"1453616"	79.016717	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H+K"	39.970434
"242581"	278.159826	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+ACN+H"	42.033826
"1213838"	160.096826	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+ACN+H"	42.033826
"1205379"	80.552051	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+ACN+2H"	43.041102
"198250"	281.09716	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+2Na-H"	44.97116
"636718"	399.16016	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+2Na-H"	44.97116
"1139130"	163.03416	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2Na-H"	44.97116
"181331"	141.052218	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+2Na"	45.978436
"617611"	200.083718	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+2Na"	45.978436
"1121116"	82.020718	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2Na"	45.978436
"1405733"	55.0162373333333	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H+2Na"	46.985712
"1434567"	165.075746	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H+HCOOH"	47.012746
"221100"	146.08524	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+3H2O+2H"	56.04448
"1511226"	179.12779	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+IsoProp+H"	61.06479
"410549"	149.039188	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+Na+K"	61.952376
"771052"	208.070688	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+Na+K"	61.952376
"1667506"	90.007688	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Na+K"	61.952376
"252204"	300.141768	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+ACN+Na"	64.015768
"1227102"	182.078768	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+ACN+Na"	64.015768
"1714164"	182.102293	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+NH4+HCOOH"	64.039293
"1179889"	62.3435513333333	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+3Na"	68.967654
"1653794"	187.057688	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Na+HCOOH"	68.994688
"159925"	313.04504	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+2K-H"	76.91904
"602038"	431.10804	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+2K-H"	76.91904
"1088015"	194.98204	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2K-H"	76.91904
"145194"	157.026158	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"2M+2K"	77.926316
"592047"	216.057658	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"3M+2K"	77.926316
"1077656"	97.994658	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2K"	77.926316
"1106489"	196.996592	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2K+H"	78.933592
"1343966"	197.084207	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+DMSO+H"	79.021207
"1013588"	201.123376	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2ACN+H"	83.060376
"1531712"	202.117008	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+IsoProp+Na+H"	84.054008
"1001443"	101.065326	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+2ACN+2H"	84.067652
"1593758"	203.031628	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+K+HCOOH"	84.968628
"1422701"	233.063138	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+H+CF3COOH"	115.000138
"1152988"	121.578601	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+3ACN+2H"	125.094202
"1710196"	250.089685	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+NH4+CF3COOH"	132.026685
"1638196"	255.04508	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+Na+CF3COOH"	136.98208
"1571780"	271.01902	"C02804"	"5-Hydroxypentanoate"	"C5H10O3"	"118.063"	"M+K+CF3COOH"	152.95602
"806402"	302.0427	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M"	0
"983215"	283.02431	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"70364"	200.354524	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"512111"	301.035424	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"884444"	99.673624	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"4114"	301.035424	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"443677"	452.056774	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"818926"	150.014074	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"79885"	603.078124	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"524312"	905.120824	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"898103"	301.035424	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"51019"	620.104671	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"491675"	922.147371	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"873851"	318.061971	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"38471"	625.060066	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"472681"	927.102766	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"855834"	323.017366	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1626461"	323.017366	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"99710"	319.023763	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"540364"	470.045113	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"936064"	168.002413	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"274622"	639.054802	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"661940"	941.097502	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1273979"	337.012102	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"17267"	641.034006	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"456948"	943.076706	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"833204"	338.991306	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1557021"	338.991306	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"945633"	347.040894	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"363848"	649.083601	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"345745"	663.099251	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1497295"	361.056551	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"959733"	369.022851	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"111556"	337.012102	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"550509"	488.033452	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1023561"	185.990752	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1243867"	380.961585	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1307410"	383.017572	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1320897"	404.999529	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"913062"	415.028286	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1288997"	451.004964	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1367157"	267.030024	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1382780"	285.04	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"283246"	605.092676	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"676439"	907.135376	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1351450"	303.049976	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"126523"	303.049976	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"565847"	454.071326	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1038413"	152.028626	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"205340"	202.369076	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"644409"	303.049976	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1163630"	101.688176	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"425810"	622.119223	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"788993"	924.161923	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1684230"	320.076523	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"333237"	311.5632495	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"726023"	462.5845995	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1480938"	160.5418995	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"395241"	627.074618	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"758428"	929.117318	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1611995"	325.031918	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"324218"	314.040947	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"708985"	465.062297	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1462689"	163.019597	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1054234"	109.01549	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1258468"	335.076186	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"378258"	643.048558	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"746067"	945.091258	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1548118"	341.005858	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"303832"	322.027917	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"697712"	473.049267	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1451539"	171.006567	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"243428"	646.119226	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1219414"	344.076526	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1198926"	172.541901	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"200546"	649.05656	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"642905"	951.09926	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1137056"	347.01386	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"175971"	325.031918	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"618810"	476.053268	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1125597"	174.010568	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1401467"	116.342804	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1434676"	349.055446	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"223278"	330.06494	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1510973"	363.10749	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"412119"	333.018888	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"773476"	484.040238	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1666160"	181.997538	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"251951"	668.101168	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1227212"	366.058468	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1714642"	366.081993	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1179275"	123.670118	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1651719"	371.037388	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"160404"	681.00444	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"601789"	983.04714	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1094688"	378.96174	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"155396"	341.005858	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"592158"	492.027208	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1072297"	189.984508	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1104411"	380.976292	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1344078"	381.063907	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1011514"	385.103076	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1534014"	386.096708	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"999366"	193.055176	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1597153"	387.011328	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1422812"	417.042838	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1156384"	213.568451	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1709217"	434.069385	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1641587"	439.02478	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1579427"	454.99872	"C02806"	"8-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"801429"	182.0368	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M"	0
"980045"	163.01841	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-H2O-H"	-19.01839
"69381"	120.350590666667	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M-3H"	-3.021828
"508941"	181.029524	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M-3H"	-3.021828
"884554"	59.6716573333333	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-3H"	-3.021828
"2038"	181.029524	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M-2H"	-2.014552
"443058"	272.047924	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M-2H"	-2.014552
"818671"	90.011124	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-2H"	-2.014552
"78668"	363.066324	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M-H"	-1.007276
"525515"	545.103124	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M-H"	-1.007276
"898577"	181.029524	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-H"	-1.007276
"49307"	380.092871	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M-2H+NH4"	16.019271
"491785"	562.129671	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M-2H+NH4"	16.019271
"872868"	198.056071	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-2H+NH4"	16.019271
"38581"	385.048266	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M-2H+Na"	20.974666
"471941"	567.085066	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M-2H+Na"	20.974666
"855944"	203.011466	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-2H+Na"	20.974666
"1626571"	203.011466	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Na-2H"	20.974666
"100913"	199.017863	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M-H+Cl"	33.962126
"540474"	290.036263	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M-H+Cl"	33.962126
"936174"	107.999463	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-H+Cl"	33.962126
"275825"	399.043002	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+Cl"	34.969402
"661199"	581.079802	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+Cl"	34.969402
"1274330"	217.006202	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Cl"	34.969402
"16405"	401.022206	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M-2H+K"	36.948606
"456006"	583.059006	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M-2H+K"	36.948606
"833271"	218.985406	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-2H+K"	36.948606
"1556073"	218.985406	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+K-2H"	36.948606
"943107"	227.034994	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-H+HCOOH"	44.998194
"362501"	409.071801	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+HCOOH-H"	44.998201
"345979"	423.087451	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+Hac-H"	59.013851
"1493395"	241.050651	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Hac-H"	59.013851
"959113"	249.016951	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-H+NaCOOH"	66.980151
"110689"	217.006202	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+2Cl"	69.938804
"550861"	308.024602	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+2Cl"	69.938804
"1023670"	125.987802	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2Cl"	69.938804
"1242884"	260.955685	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Br"	78.918885
"1309708"	263.011672	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Cl+HCOOH"	80.974872
"1327205"	284.993629	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Cl+NaCOOH"	102.956829
"914265"	295.022386	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M-H+CF3COOH"	112.985586
"1288906"	330.999064	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Cl+CF3COOH"	148.962264
"1367220"	147.024124	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H-2H2O"	-35.012676
"1383713"	165.0341	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H-H2O"	-17.0027
"284492"	365.080876	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+H"	1.007276
"676914"	547.117676	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+H"	1.007276
"1351437"	183.044076	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H"	1.007276
"126511"	183.044076	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+2H"	2.014552
"565834"	274.062476	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+2H"	2.014552
"1037113"	92.025676	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2H"	2.014552
"204393"	122.365142666667	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+3H"	3.021828
"644519"	183.044076	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+3H"	3.021828
"1164101"	61.6862093333333	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+3H"	3.021828
"426284"	382.107423	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+NH4"	18.033823
"788010"	564.144223	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+NH4"	18.033823
"1684705"	200.070623	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+NH4"	18.033823
"332255"	191.5573495	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+H+NH4"	19.041099
"727226"	282.5757495	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+H+NH4"	19.041099
"1483234"	100.5389495	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H+NH4"	19.041099
"397174"	387.062818	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+Na"	22.989218
"759631"	569.099618	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+Na"	22.989218
"1611012"	205.026018	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Na"	22.989218
"323234"	194.035047	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+H+Na"	23.996494
"710189"	285.053447	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+H+Na"	23.996494
"1463274"	103.016647	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H+Na"	23.996494
"1053613"	69.0135233333333	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2H+Na"	25.00377
"1258577"	215.070286	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+CH3OH+H"	33.033486
"377516"	403.036758	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+K"	38.963158
"752011"	585.073558	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+K"	38.963158
"1548228"	220.999958	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+K"	38.963158
"301757"	202.022017	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+H+K"	39.970434
"698915"	293.040417	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+H+K"	39.970434
"1453838"	111.003617	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H+K"	39.970434
"241352"	406.107426	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+ACN+H"	42.033826
"1217337"	224.070626	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+ACN+H"	42.033826
"1201225"	112.538951	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+ACN+2H"	43.041102
"198469"	409.04476	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+2Na-H"	44.97116
"641679"	591.08156	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+2Na-H"	44.97116
"1137166"	227.00796	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2Na-H"	44.97116
"179361"	205.026018	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+2Na"	45.978436
"621836"	296.044418	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+2Na"	45.978436
"1120241"	114.007618	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2Na"	45.978436
"1399875"	76.3408373333333	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H+2Na"	46.985712
"1438066"	229.049546	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H+HCOOH"	47.012746
"221806"	210.05904	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+3H2O+2H"	56.04448
"1511811"	243.10159	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+IsoProp+H"	61.06479
"411863"	213.012988	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+Na+K"	61.952376
"772493"	304.031388	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+Na+K"	61.952376
"1668459"	121.994588	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Na+K"	61.952376
"252059"	428.089368	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+ACN+Na"	64.015768
"1226227"	246.052568	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+ACN+Na"	64.015768
"1712747"	246.076093	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+NH4+HCOOH"	64.039293
"1180843"	83.6681513333333	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+3Na"	68.967654
"1653287"	251.031488	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Na+HCOOH"	68.994688
"160514"	440.99264	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+2K-H"	76.91904
"600441"	623.02944	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+2K-H"	76.91904
"1095891"	258.95584	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2K-H"	76.91904
"154897"	220.999958	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"2M+2K"	77.926316
"591175"	312.018358	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"3M+2K"	77.926316
"1072407"	129.981558	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2K"	77.926316
"1105614"	260.970392	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2K+H"	78.933592
"1343095"	261.058007	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+DMSO+H"	79.021207
"1012717"	265.097176	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2ACN+H"	83.060376
"1535217"	266.090808	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+IsoProp+Na+H"	84.054008
"997290"	133.052226	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+2ACN+2H"	84.067652
"1595076"	267.005428	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+K+HCOOH"	84.968628
"1422922"	297.036938	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+H+CF3COOH"	115.000138
"1154308"	153.565501	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+3ACN+2H"	125.094202
"1708234"	314.063485	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+NH4+CF3COOH"	132.026685
"1641697"	319.01888	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+Na+CF3COOH"	136.98208
"1579537"	334.99282	"C02807"	"Acenaphthenequinone;Acenaphthoquinone;12-Diketoacenaphthene"	"C12H6O2"	"182.0368"	"M+K+CF3COOH"	152.95602
"801558"	464.2132	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M"	0
"980155"	445.19481	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-H2O-H"	-19.01839
"69491"	308.468190666667	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M-3H"	-3.021828
"509051"	463.205924	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M-3H"	-3.021828
"885757"	153.730457333333	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-3H"	-3.021828
"3241"	463.205924	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M-2H"	-2.014552
"442804"	695.312524	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M-2H"	-2.014552
"817688"	231.099324	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-2H"	-2.014552
"79738"	927.419124	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M-H"	-1.007276
"524532"	1391.632324	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M-H"	-1.007276
"898686"	463.205924	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-H"	-1.007276
"49050"	944.445671	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M-2H+NH4"	16.019271
"490071"	1408.658871	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M-2H+NH4"	16.019271
"871885"	480.232471	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-2H+NH4"	16.019271
"34681"	949.401066	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M-2H+Na"	20.974666
"472779"	1413.614266	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M-2H+Na"	20.974666
"852045"	485.187866	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-2H+Na"	20.974666
"1628868"	485.187866	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Na-2H"	20.974666
"102117"	481.194263	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M-H+Cl"	33.962126
"539491"	713.300863	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M-H+Cl"	33.962126
"929725"	249.087663	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-H+Cl"	33.962126
"275935"	963.395802	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+Cl"	34.969402
"662892"	1427.609002	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+Cl"	34.969402
"1275294"	499.182602	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Cl"	34.969402
"15789"	965.375006	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M-2H+K"	36.948606
"457412"	1429.588206	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M-2H+K"	36.948606
"832821"	501.161806	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-2H+K"	36.948606
"1555650"	501.161806	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+K-2H"	36.948606
"944760"	509.211394	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-H+HCOOH"	44.998194
"362245"	973.424601	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+HCOOH-H"	44.998201
"346495"	987.440251	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+Hac-H"	59.013851
"1494598"	523.227051	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Hac-H"	59.013851
"958734"	531.193351	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-H+NaCOOH"	66.980151
"110800"	499.182602	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+2Cl"	69.938804
"550970"	731.289202	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+2Cl"	69.938804
"1024512"	267.076002	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2Cl"	69.938804
"1244454"	543.132085	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Br"	78.918885
"1309821"	545.188072	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Cl+HCOOH"	80.974872
"1325129"	567.170029	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Cl+NaCOOH"	102.956829
"914011"	577.198786	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M-H+CF3COOH"	112.985586
"1291082"	613.175464	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Cl+CF3COOH"	148.962264
"1367455"	429.200524	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H-2H2O"	-35.012676
"1382889"	447.2105	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H-H2O"	-17.0027
"284603"	929.433676	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+H"	1.007276
"677024"	1393.646876	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+H"	1.007276
"1352644"	465.220476	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H"	1.007276
"126384"	465.220476	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+2H"	2.014552
"566549"	697.327076	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+2H"	2.014552
"1038143"	233.113876	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2H"	2.014552
"204827"	310.482742666667	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+3H"	3.021828
"647542"	465.220476	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+3H"	3.021828
"1163970"	155.745009333333	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+3H"	3.021828
"427852"	946.460223	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+NH4"	18.033823
"788120"	1410.673423	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+NH4"	18.033823
"1685908"	482.247023	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+NH4"	18.033823
"333094"	473.7337495	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+H+NH4"	19.041099
"729525"	705.8403495	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+H+NH4"	19.041099
"1483345"	241.6271495	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H+NH4"	19.041099
"395465"	951.415618	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+Na"	22.989218
"759741"	1415.628818	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+Na"	22.989218
"1611123"	487.202418	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Na"	22.989218
"326624"	476.211447	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+H+Na"	23.996494
"711392"	708.318047	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+H+Na"	23.996494
"1463750"	244.104847	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H+Na"	23.996494
"1053196"	163.072323333333	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2H+Na"	25.00377
"1257624"	497.246686	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+CH3OH+H"	33.033486
"377212"	967.389558	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+K"	38.963158
"747745"	1431.602758	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+K"	38.963158
"1545058"	503.176358	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+K"	38.963158
"300043"	484.198417	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+H+K"	39.970434
"692830"	716.305017	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+H+K"	39.970434
"1455041"	252.091817	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H+K"	39.970434
"242555"	970.460226	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+ACN+H"	42.033826
"1217446"	506.247026	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+ACN+H"	42.033826
"1206803"	253.627151	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+ACN+2H"	43.041102
"199673"	973.39756	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+2Na-H"	44.97116
"641424"	1437.61076	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+2Na-H"	44.97116
"1137276"	509.18436	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2Na-H"	44.97116
"176192"	487.202418	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+2Na"	45.978436
"624134"	719.309018	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+2Na"	45.978436
"1120352"	255.095818	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2Na"	45.978436
"1402780"	170.399637333333	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H+2Na"	46.985712
"1438176"	511.225946	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H+HCOOH"	47.012746
"221553"	492.23544	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+3H2O+2H"	56.04448
"1510464"	525.27799	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+IsoProp+H"	61.06479
"410879"	495.189388	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+Na+K"	61.952376
"770129"	727.295988	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+Na+K"	61.952376
"1665975"	263.082788	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Na+K"	61.952376
"252896"	992.442168	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+ACN+Na"	64.015768
"1226335"	528.228968	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+ACN+Na"	64.015768
"1713161"	528.252493	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+NH4+HCOOH"	64.039293
"1179861"	177.726951333333	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+3Na"	68.967654
"1652306"	533.207888	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Na+HCOOH"	68.994688
"160990"	1005.34544	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+2K-H"	76.91904
"599823"	1469.55864	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+2K-H"	76.91904
"1097094"	541.13224	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2K-H"	76.91904
"155737"	503.176358	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"2M+2K"	77.926316
"592378"	735.282958	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"3M+2K"	77.926316
"1073610"	271.069758	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2K"	77.926316
"1103538"	543.146792	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2K+H"	78.933592
"1344298"	543.234407	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+DMSO+H"	79.021207
"1015015"	547.273576	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2ACN+H"	83.060376
"1535327"	548.267208	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+IsoProp+Na+H"	84.054008
"999588"	274.140426	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+2ACN+2H"	84.067652
"1594090"	549.181828	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+K+HCOOH"	84.968628
"1418658"	579.213338	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+H+CF3COOH"	115.000138
"1154418"	294.653701	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+3ACN+2H"	125.094202
"1709437"	596.239885	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+NH4+CF3COOH"	132.026685
"1641807"	601.19528	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+Na+CF3COOH"	136.98208
"1579647"	617.16922	"C02808"	"Acetylblasticidin S"	"C19H28N8O6"	"464.2132"	"M+K+CF3COOH"	152.95602
"803452"	281.0834	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M"	0
"980265"	262.06501	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-H2O-H"	-19.01839
"67414"	186.381657333333	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M-3H"	-3.021828
"506973"	280.076124	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M-3H"	-3.021828
"884774"	92.6871906666667	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-3H"	-3.021828
"5538"	280.076124	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M-2H"	-2.014552
"444007"	420.617824	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M-2H"	-2.014552
"822903"	139.534424	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-2H"	-2.014552
"79247"	561.159524	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M-H"	-1.007276
"527923"	842.242924	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M-H"	-1.007276
"901351"	280.076124	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-H"	-1.007276
"49160"	578.186071	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M-2H+NH4"	16.019271
"489453"	859.269471	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M-2H+NH4"	16.019271
"871995"	297.102671	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-2H+NH4"	16.019271
"43176"	583.141466	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M-2H+Na"	20.974666
"473988"	864.224866	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M-2H+Na"	20.974666
"855071"	302.058066	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-2H+Na"	20.974666
"1628978"	302.058066	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Na-2H"	20.974666
"105143"	298.064463	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M-H+Cl"	33.962126
"539601"	438.606163	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M-H+Cl"	33.962126
"929835"	157.522763	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-H+Cl"	33.962126
"276045"	597.136202	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+Cl"	34.969402
"663002"	878.219602	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+Cl"	34.969402
"1280871"	316.052802	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Cl"	34.969402
"16013"	599.115406	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M-2H+K"	36.948606
"457524"	880.198806	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M-2H+K"	36.948606
"833621"	318.032006	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-2H+K"	36.948606
"1556014"	318.032006	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+K-2H"	36.948606
"946694"	326.081594	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-H+HCOOH"	44.998194
"368189"	607.165001	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+HCOOH-H"	44.998201
"350980"	621.180651	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+Hac-H"	59.013851
"1497626"	340.097251	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Hac-H"	59.013851
"965166"	348.063551	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-H+NaCOOH"	66.980151
"112248"	316.052802	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+2Cl"	69.938804
"552173"	456.594502	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+2Cl"	69.938804
"1024621"	175.511102	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2Cl"	69.938804
"1243103"	360.002285	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Br"	78.918885
"1307741"	362.058272	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Cl+HCOOH"	80.974872
"1322323"	384.040229	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Cl+NaCOOH"	102.956829
"912663"	394.068986	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M-H+CF3COOH"	112.985586
"1289370"	430.045664	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Cl+CF3COOH"	148.962264
"1368493"	246.070724	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H-2H2O"	-35.012676
"1382916"	264.0807	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H-H2O"	-17.0027
"283620"	563.174076	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+H"	1.007276
"677135"	844.257476	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+H"	1.007276
"1352511"	282.090676	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H"	1.007276
"126617"	282.090676	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+2H"	2.014552
"566419"	422.632376	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+2H"	2.014552
"1037647"	141.548976	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2H"	2.014552
"205792"	188.396209333333	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+3H"	3.021828
"645474"	282.090676	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+3H"	3.021828
"1163963"	94.7017426666667	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+3H"	3.021828
"427232"	580.200623	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+NH4"	18.033823
"788231"	861.284023	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+NH4"	18.033823
"1684197"	299.117223	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+NH4"	18.033823
"333933"	290.6039495	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+H+NH4"	19.041099
"728542"	431.1456495	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+H+NH4"	19.041099
"1482364"	150.0622495	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H+NH4"	19.041099
"398856"	585.156018	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+Na"	22.989218
"765319"	866.239418	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+Na"	22.989218
"1614512"	304.072618	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Na"	22.989218
"326735"	293.081647	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+H+Na"	23.996494
"711501"	433.623347	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+H+Na"	23.996494
"1463500"	152.539947	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H+Na"	23.996494
"1053061"	102.029056666667	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2H+Na"	25.00377
"1257693"	314.116886	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+CH3OH+H"	33.033486
"377285"	601.129958	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+K"	38.963158
"739829"	882.213358	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+K"	38.963158
"1540788"	320.046558	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+K"	38.963158
"299059"	301.068617	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+H+K"	39.970434
"691521"	441.610317	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+H+K"	39.970434
"1455151"	160.526917	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H+K"	39.970434
"243756"	604.200626	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+ACN+H"	42.033826
"1218650"	323.117226	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+ACN+H"	42.033826
"1201444"	162.062251	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+ACN+2H"	43.041102
"199419"	607.13796	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+2Na-H"	44.97116
"640077"	888.22136	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+2Na-H"	44.97116
"1137385"	326.05456	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2Na-H"	44.97116
"178487"	304.072618	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+2Na"	45.978436
"620233"	444.614318	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+2Na"	45.978436
"1124834"	163.530918	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2Na"	45.978436
"1400945"	109.356370666667	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H+2Na"	46.985712
"1435006"	328.096146	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H+HCOOH"	47.012746
"221541"	309.10564	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+3H2O+2H"	56.04448
"1508994"	342.14819	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+IsoProp+H"	61.06479
"409410"	312.059588	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+Na+K"	61.952376
"769956"	452.601288	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+Na+K"	61.952376
"1665642"	171.517888	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Na+K"	61.952376
"252642"	626.182568	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+ACN+Na"	64.015768
"1226809"	345.099168	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+ACN+Na"	64.015768
"1713230"	345.122693	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+NH4+HCOOH"	64.039293
"1179847"	116.683684666667	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+3Na"	68.967654
"1652052"	350.078088	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Na+HCOOH"	68.994688
"161100"	639.08584	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+2K-H"	76.91904
"601756"	920.16924	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+2K-H"	76.91904
"1098298"	358.00244	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2K-H"	76.91904
"155117"	320.046558	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"2M+2K"	77.926316
"592488"	460.588258	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"3M+2K"	77.926316
"1073720"	179.504858	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2K"	77.926316
"1105835"	360.016992	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2K+H"	78.933592
"1342221"	360.104607	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+DMSO+H"	79.021207
"1015125"	364.143776	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2ACN+H"	83.060376
"1532157"	365.137408	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+IsoProp+Na+H"	84.054008
"997508"	182.575526	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+2ACN+2H"	84.067652
"1596387"	366.052028	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+K+HCOOH"	84.968628
"1418768"	396.083538	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+H+CF3COOH"	115.000138
"1154528"	203.088801	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+3ACN+2H"	125.094202
"1709183"	413.110085	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+NH4+CF3COOH"	132.026685
"1638637"	418.06548	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+Na+CF3COOH"	136.98208
"1579757"	434.03942	"C02809"	"Albendazole S-oxide"	"C12H15N3O3S"	"281.0834"	"M+K+CF3COOH"	152.95602
"804655"	262.0454	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M"	0
"980375"	243.02701	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H2O-H"	-19.01839
"69711"	173.689657333333	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-3H"	-3.021828
"511457"	261.038124	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-3H"	-3.021828
"888166"	86.3411906666666	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-3H"	-3.021828
"5648"	261.038124	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H"	-2.014552
"444117"	392.060824	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H"	-2.014552
"823013"	130.015424	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H"	-2.014552
"90659"	523.083524	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-H"	-1.007276
"531313"	785.128924	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-H"	-1.007276
"902554"	261.038124	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H"	-1.007276
"49998"	540.110071	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+NH4"	16.019271
"498677"	802.155471	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+NH4"	16.019271
"877214"	278.064671	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+NH4"	16.019271
"43287"	545.065466	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+Na"	20.974666
"483941"	807.110866	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+Na"	20.974666
"863689"	283.020066	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+Na"	20.974666
"1629089"	283.020066	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na-2H"	20.974666
"105619"	279.026463	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-H+Cl"	33.962126
"545908"	410.049163	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-H+Cl"	33.962126
"939422"	148.003763	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+Cl"	33.962126
"277251"	559.060202	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Cl"	34.969402
"667484"	821.105602	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+Cl"	34.969402
"1278795"	297.014802	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl"	34.969402
"16979"	561.039406	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+K"	36.948606
"458727"	823.084806	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+K"	36.948606
"835435"	298.994006	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+K"	36.948606
"1556732"	298.994006	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K-2H"	36.948606
"946803"	307.043594	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+HCOOH"	44.998194
"362831"	569.089001	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+HCOOH-H"	44.998201
"348902"	583.104651	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Hac-H"	59.013851
"1501016"	321.059251	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Hac-H"	59.013851
"962724"	329.025551	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+NaCOOH"	66.980151
"111995"	297.014802	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Cl"	69.938804
"552649"	428.037502	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Cl"	69.938804
"1023999"	165.992102	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2Cl"	69.938804
"1243941"	340.964285	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Br"	78.918885
"1306394"	343.020272	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+HCOOH"	80.974872
"1322070"	365.002229	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+NaCOOH"	102.956829
"914229"	375.030986	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M-H+CF3COOH"	112.985586
"1290936"	411.007664	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+CF3COOH"	148.962264
"1367753"	227.032724	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H-2H2O"	-35.012676
"1383312"	245.0427	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H-H2O"	-17.0027
"283728"	525.098076	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H"	1.007276
"678702"	787.143476	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H"	1.007276
"1353230"	263.052676	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H"	1.007276
"126485"	263.052676	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2H"	2.014552
"565727"	394.075376	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2H"	2.014552
"1037392"	132.029976	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2H"	2.014552
"205661"	175.704209333333	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H"	3.021828
"645949"	263.052676	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+3H"	3.021828
"1164437"	88.3557426666667	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+3H"	3.021828
"425521"	542.124623	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+NH4"	18.033823
"789069"	804.170023	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+NH4"	18.033823
"1684306"	280.079223	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4"	18.033823
"332584"	271.5659495	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+NH4"	19.041099
"726100"	402.5886495	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+NH4"	19.041099
"1482474"	140.5432495	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+NH4"	19.041099
"395687"	547.080018	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na"	22.989218
"758870"	809.125418	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na"	22.989218
"1614258"	285.034618	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na"	22.989218
"322472"	274.043647	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+Na"	23.996494
"712705"	405.066347	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+Na"	23.996494
"1464340"	143.020947	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+Na"	23.996494
"1054675"	95.6830566666666	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2H+Na"	25.00377
"1257564"	295.078886	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+CH3OH+H"	33.033486
"377478"	563.053958	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+K"	38.963158
"751974"	825.099358	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+K"	38.963158
"1545277"	301.008558	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K"	38.963158
"301721"	282.030617	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+K"	39.970434
"693052"	413.053317	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+K"	39.970434
"1459636"	151.007917	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+K"	39.970434
"244962"	566.124626	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+H"	42.033826
"1219857"	304.079226	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+H"	42.033826
"1201554"	152.543251	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+2H"	43.041102
"198801"	569.06196	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na-H"	44.97116
"642010"	831.10736	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na-H"	44.97116
"1140775"	307.01656	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na-H"	44.97116
"181877"	285.034618	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na"	45.978436
"620346"	416.057318	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na"	45.978436
"1121666"	154.011918	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na"	45.978436
"1400814"	103.010370666667	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+2Na"	46.985712
"1432929"	309.058146	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+HCOOH"	47.012746
"229185"	290.06764	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H2O+2H"	56.04448
"1510685"	323.11019	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+H"	61.06479
"409400"	293.021588	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na+K"	61.952376
"771367"	424.044288	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na+K"	61.952376
"1667332"	161.998888	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+K"	61.952376
"253125"	588.106568	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+Na"	64.015768
"1226192"	326.061168	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+Na"	64.015768
"1713058"	326.084693	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+HCOOH"	64.039293
"1179066"	110.337684666667	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+3Na"	68.967654
"1652162"	331.040088	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+HCOOH"	68.994688
"164490"	601.00984	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K-H"	76.91904
"605145"	863.05524	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K-H"	76.91904
"1090753"	338.96444	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2K-H"	76.91904
"148663"	301.008558	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K"	77.926316
"589318"	432.031258	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K"	77.926316
"1077110"	169.985858	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2K"	77.926316
"1108131"	340.978992	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2K+H"	78.933592
"1340144"	341.066607	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+DMSO+H"	79.021207
"1016328"	345.105776	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+H"	83.060376
"1534454"	346.099408	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+Na+H"	84.054008
"997620"	173.056526	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+2H"	84.067652
"1596497"	347.014028	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K+HCOOH"	84.968628
"1424344"	377.045538	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+H+CF3COOH"	115.000138
"1155730"	193.569801	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+3ACN+2H"	125.094202
"1700909"	394.072085	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+CF3COOH"	132.026685
"1638747"	399.02748	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+CF3COOH"	136.98208
"1579867"	415.00142	"C02810"	"Alditol 6-phosphate;Hexitol 1-phosphate"	"C6H15O9P"	"262.0454"	"M+K+CF3COOH"	152.95602
"805858"	426.1427	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M"	0
"983765"	407.12431	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-H2O-H"	-19.01839
"70915"	283.087857333333	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M-3H"	-3.021828
"511568"	425.135424	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M-3H"	-3.021828
"887183"	141.040290666667	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-3H"	-3.021828
"6851"	425.135424	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M-2H"	-2.014552
"445320"	638.206774	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M-2H"	-2.014552
"820937"	212.064074	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-2H"	-2.014552
"88583"	851.278124	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M-H"	-1.007276
"527050"	1277.420824	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M-H"	-1.007276
"902664"	425.135424	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-H"	-1.007276
"49380"	868.304671	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M-2H+NH4"	16.019271
"497694"	1294.447371	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M-2H+NH4"	16.019271
"878779"	442.161971	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-2H+NH4"	16.019271
"44491"	873.260066	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M-2H+Na"	20.974666
"484052"	1299.402766	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M-2H+Na"	20.974666
"863678"	447.117366	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-2H+Na"	20.974666
"1632480"	447.117366	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Na-2H"	20.974666
"108281"	443.123763	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M-H+Cl"	33.962126
"548813"	656.195113	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M-H+Cl"	33.962126
"939532"	230.052413	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-H+Cl"	33.962126
"279913"	887.254802	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+Cl"	34.969402
"665408"	1313.397502	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+Cl"	34.969402
"1282185"	461.112102	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Cl"	34.969402
"16966"	889.234006	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M-2H+K"	36.948606
"458472"	1315.376706	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M-2H+K"	36.948606
"838096"	463.091306	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-2H+K"	36.948606
"1561219"	463.091306	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+K-2H"	36.948606
"948736"	471.140894	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-H+HCOOH"	44.998194
"365496"	897.283601	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+HCOOH-H"	44.998201
"351564"	911.299251	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+Hac-H"	59.013851
"1501127"	485.156551	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Hac-H"	59.013851
"966479"	493.122851	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-H+NaCOOH"	66.980151
"115021"	461.112102	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+2Cl"	69.938804
"553487"	674.183452	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+2Cl"	69.938804
"1024475"	248.040752	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2Cl"	69.938804
"1244419"	505.061585	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Br"	78.918885
"1306503"	507.117572	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Cl+HCOOH"	80.974872
"1322543"	529.099529	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Cl+NaCOOH"	102.956829
"911786"	539.128286	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M-H+CF3COOH"	112.985586
"1292141"	575.104964	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Cl+CF3COOH"	148.962264
"1368228"	391.130024	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H-2H2O"	-35.012676
"1383300"	409.14	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H-H2O"	-17.0027
"284568"	853.292676	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+H"	1.007276
"678813"	1279.435376	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+H"	1.007276
"1354433"	427.149976	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H"	1.007276
"126269"	427.149976	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+2H"	2.014552
"566190"	640.221326	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+2H"	2.014552
"1037701"	214.078626	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2H"	2.014552
"205406"	285.102409333333	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+3H"	3.021828
"647155"	427.149976	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+3H"	3.021828
"1166373"	143.054842666667	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+3H"	3.021828
"427459"	870.319223	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+NH4"	18.033823
"789544"	1296.461923	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+NH4"	18.033823
"1684783"	444.176523	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+NH4"	18.033823
"333060"	435.6632495	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+H+NH4"	19.041099
"729855"	648.7345995	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+H+NH4"	19.041099
"1483678"	222.5918995	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H+NH4"	19.041099
"400170"	875.274618	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+Na"	22.989218
"762260"	1301.417318	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+Na"	22.989218
"1612549"	449.131918	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Na"	22.989218
"328416"	438.140947	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+H+Na"	23.996494
"712815"	651.212297	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+H+Na"	23.996494
"1464813"	225.069597	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H+Na"	23.996494
"1053037"	150.382156666667	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2H+Na"	25.00377
"1258039"	459.176186	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+CH3OH+H"	33.033486
"380139"	891.248558	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+K"	38.963158
"749896"	1317.391258	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+K"	38.963158
"1542835"	465.105858	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+K"	38.963158
"300008"	446.127917	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+H+K"	39.970434
"692064"	659.199267	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+H+K"	39.970434
"1454281"	233.056567	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H+K"	39.970434
"247259"	894.319226	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+ACN+H"	42.033826
"1221061"	468.176526	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+ACN+H"	42.033826
"1201664"	234.591901	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+ACN+2H"	43.041102
"200733"	897.25656	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+2Na-H"	44.97116
"641756"	1323.39926	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+2Na-H"	44.97116
"1141251"	471.11386	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2Na-H"	44.97116
"183081"	449.131918	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+2Na"	45.978436
"623736"	662.203268	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+2Na"	45.978436
"1122868"	236.060568	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2Na"	45.978436
"1400925"	157.709470666667	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H+2Na"	46.985712
"1434133"	473.155446	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H+HCOOH"	47.012746
"226014"	454.16494	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+3H2O+2H"	56.04448
"1512983"	487.20749	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+IsoProp+H"	61.06479
"413763"	457.118888	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+Na+K"	61.952376
"771596"	670.190238	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+Na+K"	61.952376
"1668169"	244.047538	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Na+K"	61.952376
"253353"	916.301168	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+ACN+Na"	64.015768
"1226019"	490.158468	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+ACN+Na"	64.015768
"1713487"	490.181993	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+NH4+HCOOH"	64.039293
"1179247"	165.036784666667	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+3Na"	68.967654
"1651898"	495.137388	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Na+HCOOH"	68.994688
"159124"	929.20444	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+2K-H"	76.91904
"600880"	1355.34714	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+2K-H"	76.91904
"1087574"	503.06174	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2K-H"	76.91904
"144762"	465.105858	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"2M+2K"	77.926316
"591615"	678.177208	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"3M+2K"	77.926316
"1076127"	252.034508	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2K"	77.926316
"1103868"	505.076292	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2K+H"	78.933592
"1343534"	505.163907	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+DMSO+H"	79.021207
"1014251"	509.203076	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2ACN+H"	83.060376
"1534563"	510.196708	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+IsoProp+Na+H"	84.054008
"999917"	255.105176	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+2ACN+2H"	84.067652
"1598795"	511.111328	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+K+HCOOH"	84.968628
"1422268"	541.142838	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+H+CF3COOH"	115.000138
"1149274"	275.618451	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+3ACN+2H"	125.094202
"1701019"	558.169385	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+NH4+CF3COOH"	132.026685
"1638857"	563.12478	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+Na+CF3COOH"	136.98208
"1579977"	579.09872	"C02811"	"Anhydrotetracycline"	"C22H22N2O7"	"426.1427"	"M+K+CF3COOH"	152.95602
"802443"	255.9889	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M"	0
"981688"	236.97051	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-H2O-H"	-19.01839
"71025"	169.651990666667	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M-3H"	-3.021828
"512771"	254.981624	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M-3H"	-3.021828
"886200"	84.3223573333333	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-3H"	-3.021828
"8055"	254.981624	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M-2H"	-2.014552
"442148"	382.976074	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M-2H"	-2.014552
"818249"	126.987174	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-2H"	-2.014552
"88693"	510.970524	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M-H"	-1.007276
"528253"	766.959424	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M-H"	-1.007276
"899127"	254.981624	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-H"	-1.007276
"48879"	527.997071	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M-2H+NH4"	16.019271
"494524"	783.985971	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M-2H+NH4"	16.019271
"872326"	272.008171	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-2H+NH4"	16.019271
"41321"	532.952466	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M-2H+Na"	20.974666
"484161"	788.941366	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M-2H+Na"	20.974666
"858683"	276.963566	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-2H+Na"	20.974666
"1628217"	276.963566	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Na-2H"	20.974666
"103653"	272.969963	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M-H+Cl"	33.962126
"539931"	400.964413	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M-H+Cl"	33.962126
"931622"	144.975513	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-H+Cl"	33.962126
"273096"	546.947202	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+Cl"	34.969402
"661505"	802.936102	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+Cl"	34.969402
"1274273"	290.958302	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Cl"	34.969402
"15978"	548.926406	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M-2H+K"	36.948606
"456270"	804.915306	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M-2H+K"	36.948606
"833831"	292.937506	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-2H+K"	36.948606
"1555891"	292.937506	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+K-2H"	36.948606
"943375"	300.987094	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-H+HCOOH"	44.998194
"361752"	556.976001	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+HCOOH-H"	44.998201
"346934"	570.991651	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+Hac-H"	59.013851
"1493215"	315.002751	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Hac-H"	59.013851
"961850"	322.969051	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-H+NaCOOH"	66.980151
"114036"	290.958302	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+2Cl"	69.938804
"553963"	418.952752	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+2Cl"	69.938804
"1024219"	162.963852	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2Cl"	69.938804
"1243797"	334.907785	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Br"	78.918885
"1305880"	336.963772	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Cl+HCOOH"	80.974872
"1320098"	358.945729	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Cl+NaCOOH"	102.956829
"911773"	368.974486	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M-H+CF3COOH"	112.985586
"1288842"	404.951164	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Cl+CF3COOH"	148.962264
"1367408"	220.976224	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H-2H2O"	-35.012676
"1383655"	238.9862	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H-H2O"	-17.0027
"285407"	512.985076	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+H"	1.007276
"677463"	768.973976	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+H"	1.007276
"1356365"	256.996176	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H"	1.007276
"126336"	256.996176	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+2H"	2.014552
"566014"	384.990626	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+2H"	2.014552
"1037487"	129.001726	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2H"	2.014552
"205151"	171.666542666667	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+3H"	3.021828
"644952"	256.996176	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+3H"	3.021828
"1164051"	86.3369093333333	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+3H"	3.021828
"427204"	530.011623	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+NH4"	18.033823
"788562"	786.000523	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+NH4"	18.033823
"1684164"	274.022723	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+NH4"	18.033823
"333901"	265.5094495	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+H+NH4"	19.041099
"728873"	393.5038995	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+H+NH4"	19.041099
"1482695"	137.5149995	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H+NH4"	19.041099
"398093"	534.967018	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+Na"	22.989218
"763463"	790.955918	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+Na"	22.989218
"1613751"	278.978118	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Na"	22.989218
"324881"	267.987147	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+H+Na"	23.996494
"712925"	395.981597	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+H+Na"	23.996494
"1464558"	139.992697	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H+Na"	23.996494
"1052941"	93.6642233333333	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2H+Na"	25.00377
"1257248"	289.022386	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+CH3OH+H"	33.033486
"377692"	550.940958	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+K"	38.963158
"738731"	806.929858	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+K"	38.963158
"1541851"	294.952058	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+K"	38.963158
"300118"	275.974117	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+H+K"	39.970434
"691930"	403.968567	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+H+K"	39.970434
"1446726"	147.979667	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H+K"	39.970434
"251016"	554.011626	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+ACN+H"	42.033826
"1220077"	298.022726	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+ACN+H"	42.033826
"1200680"	149.515001	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+ACN+2H"	43.041102
"201206"	556.94896	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+2Na-H"	44.97116
"640403"	812.93786	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+2Na-H"	44.97116
"1140997"	300.96006	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2Na-H"	44.97116
"181009"	278.978118	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+2Na"	45.978436
"622753"	406.972568	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+2Na"	45.978436
"1122978"	150.983668	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2Na"	45.978436
"1401763"	100.991537333333	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H+2Na"	46.985712
"1433513"	303.001646	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H+HCOOH"	47.012746
"226124"	284.01114	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+3H2O+2H"	56.04448
"1513093"	317.05369	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+IsoProp+H"	61.06479
"413873"	286.965088	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+Na+K"	61.952376
"772314"	414.959538	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+Na+K"	61.952376
"1667671"	158.970638	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Na+K"	61.952376
"252732"	575.993568	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+ACN+Na"	64.015768
"1227509"	320.004668	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+ACN+Na"	64.015768
"1713479"	320.028193	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+NH4+HCOOH"	64.039293
"1179560"	108.318851333333	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+3Na"	68.967654
"1652007"	324.983588	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Na+HCOOH"	68.994688
"160327"	588.89684	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+2K-H"	76.91904
"598803"	844.88574	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+2K-H"	76.91904
"1088777"	332.90794	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2K-H"	76.91904
"146329"	294.952058	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"2M+2K"	77.926316
"589538"	422.946508	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"3M+2K"	77.926316
"1077330"	166.957608	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2K"	77.926316
"1106164"	334.922492	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2K+H"	78.933592
"1342551"	335.010107	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+DMSO+H"	79.021207
"1014361"	339.049276	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2ACN+H"	83.060376
"1532487"	340.042908	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+IsoProp+Na+H"	84.054008
"1000028"	170.028276	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+2ACN+2H"	84.067652
"1596718"	340.957528	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+K+HCOOH"	84.968628
"1423471"	370.989038	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+H+CF3COOH"	115.000138
"1150478"	190.541551	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+3ACN+2H"	125.094202
"1704409"	388.015585	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+NH4+CF3COOH"	132.026685
"1638967"	392.97098	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+Na+CF3COOH"	136.98208
"1580087"	408.94492	"C02812"	"Ascorbate 2-sulfate"	"C6H8O9S"	"255.9889"	"M+K+CF3COOH"	152.95602
"802311"	126.0317	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M"	0
"986175"	107.01331	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-H2O-H"	-19.01839
"74416"	83.0138573333333	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M-3H"	-3.021828
"515071"	125.024424	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M-3H"	-3.021828
"887404"	41.0032906666667	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-3H"	-3.021828
"2698"	125.024424	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M-2H"	-2.014552
"440150"	188.040274	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M-2H"	-2.014552
"821157"	62.008574	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-2H"	-2.014552
"84429"	251.056124	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M-H"	-1.007276
"530552"	377.087824	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M-H"	-1.007276
"905073"	125.024424	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-H"	-1.007276
"56170"	268.082671	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M-2H+NH4"	16.019271
"500103"	394.114371	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M-2H+NH4"	16.019271
"875718"	142.050971	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-2H+NH4"	16.019271
"37057"	273.038066	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M-2H+Na"	20.974666
"477710"	399.069766	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M-2H+Na"	20.974666
"855513"	147.006366	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-2H+Na"	20.974666
"1622859"	147.006366	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Na-2H"	20.974666
"102669"	143.012763	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M-H+Cl"	33.962126
"540043"	206.028613	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M-H+Cl"	33.962126
"933557"	79.996913	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-H+Cl"	33.962126
"273206"	287.032802	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+Cl"	34.969402
"665631"	413.064502	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+Cl"	34.969402
"1276940"	161.001102	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Cl"	34.969402
"16578"	289.012006	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M-2H+K"	36.948606
"455854"	415.043706	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M-2H+K"	36.948606
"834305"	162.980306	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-2H+K"	36.948606
"1557916"	162.980306	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+K-2H"	36.948606
"943126"	171.029894	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-H+HCOOH"	44.998194
"363528"	297.061601	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+HCOOH-H"	44.998201
"346024"	311.077251	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+Hac-H"	59.013851
"1493689"	185.045551	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Hac-H"	59.013851
"959407"	193.011851	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-H+NaCOOH"	66.980151
"110135"	161.001102	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+2Cl"	69.938804
"550430"	224.016952	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+2Cl"	69.938804
"1022145"	97.985252	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2Cl"	69.938804
"1241355"	204.950585	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Br"	78.918885
"1304902"	207.006572	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Cl+HCOOH"	80.974872
"1319993"	228.988529	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Cl+NaCOOH"	102.956829
"914923"	239.017286	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M-H+CF3COOH"	112.985586
"1291633"	274.993964	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Cl+CF3COOH"	148.962264
"1369431"	91.019024	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H-2H2O"	-35.012676
"1384373"	109.029	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H-H2O"	-17.0027
"284059"	253.070676	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+H"	1.007276
"677577"	379.102376	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+H"	1.007276
"1352832"	127.038976	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H"	1.007276
"126083"	127.038976	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+2H"	2.014552
"565890"	190.054826	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+2H"	2.014552
"1037850"	64.023126	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2H"	2.014552
"204777"	85.0284093333333	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+3H"	3.021828
"645552"	127.038976	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+3H"	3.021828
"1163315"	43.0178426666667	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+3H"	3.021828
"425491"	270.097223	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+NH4"	18.033823
"786850"	396.128923	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+NH4"	18.033823
"1682088"	144.065523	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+NH4"	18.033823
"330201"	135.5522495	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+H+NH4"	19.041099
"725708"	198.5680995	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+H+NH4"	19.041099
"1481712"	72.5363995	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H+NH4"	19.041099
"397111"	275.052618	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+Na"	22.989218
"763573"	401.084318	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+Na"	22.989218
"1611670"	149.020918	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Na"	22.989218
"318427"	138.029947	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+H+Na"	23.996494
"709026"	201.045797	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+H+Na"	23.996494
"1461627"	75.014097	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H+Na"	23.996494
"1052773"	50.3451566666667	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2H+Na"	25.00377
"1257414"	159.065186	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+CH3OH+H"	33.033486
"377449"	291.026558	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+K"	38.963158
"746836"	417.058258	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+K"	38.963158
"1541961"	164.994858	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+K"	38.963158
"302786"	146.016917	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+H+K"	39.970434
"703960"	209.032767	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+H+K"	39.970434
"1459968"	83.001067	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H+K"	39.970434
"247479"	294.097226	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+ACN+H"	42.033826
"1221281"	168.065526	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+ACN+H"	42.033826
"1204801"	84.536401	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+ACN+2H"	43.041102
"202776"	297.03456	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+2Na-H"	44.97116
"642702"	423.06626	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+2Na-H"	44.97116
"1141104"	171.00286	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2Na-H"	44.97116
"185853"	149.020918	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+2Na"	45.978436
"622861"	212.036768	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+2Na"	45.978436
"1126368"	86.005068	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2Na"	45.978436
"1408798"	57.6724706666667	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H+2Na"	46.985712
"1437633"	173.044446	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H+HCOOH"	47.012746
"227329"	154.05394	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+3H2O+2H"	56.04448
"1510651"	187.09649	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+IsoProp+H"	61.06479
"410338"	157.007888	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+Na+K"	61.952376
"772060"	220.023738	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+Na+K"	61.952376
"1667663"	93.992038	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Na+K"	61.952376
"253573"	316.079168	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+ACN+Na"	64.015768
"1227255"	190.047468	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+ACN+Na"	64.015768
"1713953"	190.070993	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+NH4+HCOOH"	64.039293
"1181134"	64.9997846666667	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+3Na"	68.967654
"1651514"	195.026388	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Na+HCOOH"	68.994688
"160446"	328.98244	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+2K-H"	76.91904
"600128"	455.01414	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+2K-H"	76.91904
"1092177"	202.95074	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2K-H"	76.91904
"146804"	164.994858	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"2M+2K"	77.926316
"590744"	228.010708	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"3M+2K"	77.926316
"1077443"	101.979008	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2K"	77.926316
"1109558"	204.965292	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2K+H"	78.933592
"1340475"	205.052907	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+DMSO+H"	79.021207
"1014474"	209.092076	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2ACN+H"	83.060376
"1534783"	210.085708	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+IsoProp+Na+H"	84.054008
"1002323"	105.049676	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+2ACN+2H"	84.067652
"1595734"	211.000328	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+K+HCOOH"	84.968628
"1426861"	241.031838	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+H+CF3COOH"	115.000138
"1152776"	125.562951	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+3ACN+2H"	125.094202
"1704519"	258.058385	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+NH4+CF3COOH"	132.026685
"1639077"	263.01378	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+Na+CF3COOH"	136.98208
"1580197"	278.98772	"C02814"	"Benzene-124-triol;Hydroxyhydroquinone;124-Benzenetriol;124-Trihydroxybenzene;Hydroxyquinol"	"C6H6O3"	"126.0317"	"M+K+CF3COOH"	152.95602
"801470"	487.6991	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M"	0
"985192"	468.68071	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-H2O-H"	-19.01839
"75620"	324.125457333333	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M-3H"	-3.021828
"511901"	486.691824	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M-3H"	-3.021828
"887514"	161.559090666667	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-3H"	-3.021828
"64"	486.691824	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M-2H"	-2.014552
"440060"	730.541374	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M-2H"	-2.014552
"821633"	242.842274	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-2H"	-2.014552
"81988"	974.390924	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M-H"	-1.007276
"530662"	1462.090024	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M-H"	-1.007276
"905183"	486.691824	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-H"	-1.007276
"57375"	991.417471	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M-2H+NH4"	16.019271
"498026"	1479.116571	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M-2H+NH4"	16.019271
"871454"	503.718371	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-2H+NH4"	16.019271
"40447"	996.372866	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M-2H+Na"	20.974666
"481101"	1484.071966	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M-2H+Na"	20.974666
"852344"	508.673766	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-2H+Na"	20.974666
"1624063"	508.673766	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Na-2H"	20.974666
"99499"	504.680163	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M-H+Cl"	33.962126
"543434"	748.529713	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M-H+Cl"	33.962126
"934761"	260.830613	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-H+Cl"	33.962126
"271500"	1010.367602	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+Cl"	34.969402
"660315"	1498.066702	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+Cl"	34.969402
"1273768"	522.668502	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Cl"	34.969402
"16443"	1012.346806	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M-2H+K"	36.948606
"456081"	1500.045906	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M-2H+K"	36.948606
"833322"	524.647706	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-2H+K"	36.948606
"1555794"	524.647706	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+K-2H"	36.948606
"942992"	532.697294	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-H+HCOOH"	44.998194
"361772"	1020.396401	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+HCOOH-H"	44.998201
"345767"	1034.412051	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+Hac-H"	59.013851
"1493068"	546.712951	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Hac-H"	59.013851
"960247"	554.679251	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-H+NaCOOH"	66.980151
"110006"	522.668502	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+2Cl"	69.938804
"551270"	766.518052	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+2Cl"	69.938804
"1022376"	278.818952	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2Cl"	69.938804
"1241362"	566.617985	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Br"	78.918885
"1305254"	568.673972	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Cl+HCOOH"	80.974872
"1320245"	590.655929	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Cl+NaCOOH"	102.956829
"914669"	600.684686	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M-H+CF3COOH"	112.985586
"1290650"	636.661364	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Cl+CF3COOH"	148.962264
"1369906"	452.686424	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H-2H2O"	-35.012676
"1385944"	470.6964	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H-H2O"	-17.0027
"284902"	976.405476	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+H"	1.007276
"680239"	1464.104576	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+H"	1.007276
"1351969"	488.706376	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H"	1.007276
"126188"	488.706376	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+2H"	2.014552
"566854"	732.555926	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+2H"	2.014552
"1039300"	244.856826	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2H"	2.014552
"206472"	326.140009333333	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+3H"	3.021828
"646032"	488.706376	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+3H"	3.021828
"1162830"	163.573642666667	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+3H"	3.021828
"424375"	993.432023	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+NH4"	18.033823
"785694"	1481.131123	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+NH4"	18.033823
"1682928"	505.732923	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+NH4"	18.033823
"331571"	497.2196495	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+H+NH4"	19.041099
"723385"	741.0691995	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+H+NH4"	19.041099
"1482917"	253.3700995	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H+NH4"	19.041099
"400502"	998.387418	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+Na"	22.989218
"761497"	1486.086518	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+Na"	22.989218
"1610687"	510.688318	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Na"	22.989218
"316350"	499.697347	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+H+Na"	23.996494
"712053"	743.546897	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+H+Na"	23.996494
"1461341"	255.847797	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H+Na"	23.996494
"1055481"	170.900956666667	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2H+Na"	25.00377
"1259718"	520.732586	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+CH3OH+H"	33.033486
"387045"	1014.361358	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+K"	38.963158
"743665"	1502.060458	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+K"	38.963158
"1547910"	526.662258	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+K"	38.963158
"309466"	507.684317	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+H+K"	39.970434
"705169"	751.533867	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+H+K"	39.970434
"1456801"	263.834767	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H+K"	39.970434
"247589"	1017.432026	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+ACN+H"	42.033826
"1219205"	529.732926	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+ACN+H"	42.033826
"1205642"	265.370101	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+ACN+2H"	43.041102
"199242"	1020.36936	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+2Na-H"	44.97116
"640626"	1508.06846	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+2Na-H"	44.97116
"1139393"	532.67026	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2Na-H"	44.97116
"180497"	510.688318	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+2Na"	45.978436
"621149"	754.537868	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+2Na"	45.978436
"1125385"	266.838768	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2Na"	45.978436
"1401981"	178.228270666667	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H+2Na"	46.985712
"1435920"	534.711846	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H+HCOOH"	47.012746
"226345"	515.72134	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+3H2O+2H"	56.04448
"1512220"	548.76389	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+IsoProp+H"	61.06479
"409719"	518.675288	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+Na+K"	61.952376
"771808"	762.524838	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+Na+K"	61.952376
"1666314"	274.825738	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Na+K"	61.952376
"251739"	1039.413968	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+ACN+Na"	64.015768
"1226269"	551.714868	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+ACN+Na"	64.015768
"1714794"	551.738393	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+NH4+HCOOH"	64.039293
"1179421"	185.555584666667	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+3Na"	68.967654
"1651623"	556.693788	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Na+HCOOH"	68.994688
"159824"	1052.31724	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+2K-H"	76.91904
"598052"	1540.01634	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+2K-H"	76.91904
"1093381"	564.61814	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2K-H"	76.91904
"153481"	526.662258	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"2M+2K"	77.926316
"588667"	770.511808	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"3M+2K"	77.926316
"1075366"	282.812708	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2K"	77.926316
"1109668"	566.632692	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2K+H"	78.933592
"1342772"	566.720307	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+DMSO+H"	79.021207
"1015677"	570.759476	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2ACN+H"	83.060376
"1533800"	571.753108	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+IsoProp+Na+H"	84.054008
"999152"	285.883376	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+2ACN+2H"	84.067652
"1595843"	572.667728	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+K+HCOOH"	84.968628
"1424784"	602.699238	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+H+CF3COOH"	115.000138
"1152886"	306.396651	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+3ACN+2H"	125.094202
"1701349"	619.725785	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+NH4+CF3COOH"	132.026685
"1639187"	624.68118	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+Na+CF3COOH"	136.98208
"1580307"	640.65512	"C02817"	"Chlordecone alcohol"	"C10H2Cl10O"	"487.6991"	"M+K+CF3COOH"	152.95602
"802047"	404.2199	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M"	0
"985302"	385.20151	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-H2O-H"	-19.01839
"74637"	268.472657333333	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M-3H"	-3.021828
"512011"	403.212624	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M-3H"	-3.021828
"887624"	133.732690666667	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-3H"	-3.021828
"403"	403.212624	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M-2H"	-2.014552
"440019"	605.322574	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M-2H"	-2.014552
"817732"	201.102674	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-2H"	-2.014552
"80641"	807.432524	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M-H"	-1.007276
"529679"	1211.652424	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M-H"	-1.007276
"905293"	403.212624	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-H"	-1.007276
"50923"	824.459071	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M-2H+NH4"	16.019271
"497772"	1228.678971	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M-2H+NH4"	16.019271
"870471"	420.239171	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-2H+NH4"	16.019271
"38371"	829.414466	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M-2H+Na"	20.974666
"477932"	1233.634366	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M-2H+Na"	20.974666
"856831"	425.194566	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-2H+Na"	20.974666
"1626363"	425.194566	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Na-2H"	20.974666
"101799"	421.200963	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M-H+Cl"	33.962126
"543548"	623.310913	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M-H+Cl"	33.962126
"937061"	219.091013	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-H+Cl"	33.962126
"272339"	843.409202	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+Cl"	34.969402
"660871"	1247.629102	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+Cl"	34.969402
"1273311"	439.189302	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Cl"	34.969402
"16555"	845.388406	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M-2H+K"	36.948606
"455706"	1249.608306	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M-2H+K"	36.948606
"837078"	441.168506	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-2H+K"	36.948606
"1556271"	441.168506	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+K-2H"	36.948606
"944803"	449.218094	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-H+HCOOH"	44.998194
"362287"	853.438001	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+HCOOH-H"	44.998201
"349454"	867.453651	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+Hac-H"	59.013851
"1497193"	463.233751	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Hac-H"	59.013851
"963641"	471.200051	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-H+NaCOOH"	66.980151
"112914"	439.189302	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+2Cl"	69.938804
"555389"	641.299252	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+2Cl"	69.938804
"1023096"	237.079352	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2Cl"	69.938804
"1243404"	483.138785	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Br"	78.918885
"1305855"	485.194772	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Cl+HCOOH"	80.974872
"1320147"	507.176729	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Cl+NaCOOH"	102.956829
"911728"	517.205486	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M-H+CF3COOH"	112.985586
"1288534"	553.182164	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Cl+CF3COOH"	148.962264
"1367211"	369.207224	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H-2H2O"	-35.012676
"1384351"	387.2172	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H-H2O"	-17.0027
"283384"	809.447076	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+H"	1.007276
"676694"	1213.666976	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+H"	1.007276
"1352113"	405.227176	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H"	1.007276
"126184"	405.227176	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+2H"	2.014552
"567693"	607.337126	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+2H"	2.014552
"1039775"	203.117226	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2H"	2.014552
"206946"	270.487209333333	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+3H"	3.021828
"646871"	405.227176	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+3H"	3.021828
"1163660"	135.747242666667	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+3H"	3.021828
"425107"	826.473623	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+NH4"	18.033823
"786832"	1230.693523	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+NH4"	18.033823
"1684132"	422.253723	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+NH4"	18.033823
"333867"	413.7404495	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+H+NH4"	19.041099
"725925"	615.8503995	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+H+NH4"	19.041099
"1481934"	211.6304995	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H+NH4"	19.041099
"399519"	831.429018	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+Na"	22.989218
"764888"	1235.648918	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+Na"	22.989218
"1610797"	427.209118	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Na"	22.989218
"323021"	416.218147	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+H+Na"	23.996494
"715444"	618.328097	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+H+Na"	23.996494
"1463317"	214.108197	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H+Na"	23.996494
"1054984"	143.074556666667	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2H+Na"	25.00377
"1258607"	437.253386	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+CH3OH+H"	33.033486
"381687"	847.402958	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+K"	38.963158
"741587"	1251.622858	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+K"	38.963158
"1544002"	443.183058	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+K"	38.963158
"299478"	424.205117	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+H+K"	39.970434
"693240"	626.315067	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+H+K"	39.970434
"1455813"	222.095167	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H+K"	39.970434
"246606"	850.473626	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+ACN+H"	42.033826
"1218221"	446.253726	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+ACN+H"	42.033826
"1201011"	223.630501	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+ACN+2H"	43.041102
"198622"	853.41096	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+2Na-H"	44.97116
"633444"	1257.63086	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+2Na-H"	44.97116
"1138045"	449.19106	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2Na-H"	44.97116
"175869"	427.209118	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+2Na"	45.978436
"616155"	629.319068	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+2Na"	45.978436
"1116745"	225.099168	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2Na"	45.978436
"1404643"	150.401870666667	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H+2Na"	46.985712
"1430926"	451.232646	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H+HCOOH"	47.012746
"220739"	432.24214	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+3H2O+2H"	56.04448
"1509288"	465.28469	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+IsoProp+H"	61.06479
"409337"	435.196088	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+Na+K"	61.952376
"770249"	637.306038	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+Na+K"	61.952376
"1666540"	233.086138	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Na+K"	61.952376
"252453"	872.455568	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+ACN+Na"	64.015768
"1227107"	468.235668	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+ACN+Na"	64.015768
"1714655"	468.259193	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+NH4+HCOOH"	64.039293
"1178795"	157.729184666667	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+3Na"	68.967654
"1651613"	473.214588	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Na+HCOOH"	68.994688
"159570"	885.35884	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+2K-H"	76.91904
"598764"	1289.57874	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+2K-H"	76.91904
"1086924"	481.13894	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2K-H"	76.91904
"144836"	443.183058	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"2M+2K"	77.926316
"585489"	645.293008	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"3M+2K"	77.926316
"1078754"	241.073108	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2K"	77.926316
"1110871"	483.153492	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2K+H"	78.933592
"1340694"	483.241107	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+DMSO+H"	79.021207
"1013600"	487.280276	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2ACN+H"	83.060376
"1533909"	488.273908	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+IsoProp+Na+H"	84.054008
"997075"	244.143776	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+2ACN+2H"	84.067652
"1595952"	489.188528	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+K+HCOOH"	84.968628
"1423800"	519.220038	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+H+CF3COOH"	115.000138
"1152996"	264.657051	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+3ACN+2H"	125.094202
"1701459"	536.246585	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+NH4+CF3COOH"	132.026685
"1639297"	541.20198	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+Na+CF3COOH"	136.98208
"1580417"	557.17592	"C02821"	"Cortisol 21-acetate;Hydrocortisone acetate;Cortell"	"C23H32O6"	"404.2199"	"M+K+CF3COOH"	152.95602
"803129"	442.1661	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M"	0
"986505"	423.14771	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-H2O-H"	-19.01839
"74747"	293.770124	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M-3H"	-3.021828
"514307"	441.158824	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M-3H"	-3.021828
"888827"	146.381424	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-3H"	-3.021828
"3026"	441.158824	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M-2H"	-2.014552
"441496"	662.241874	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M-2H"	-2.014552
"817842"	220.075774	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-2H"	-2.014552
"81115"	883.324924	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M-H"	-1.007276
"529789"	1325.491024	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M-H"	-1.007276
"905403"	441.158824	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-H"	-1.007276
"52126"	900.351471	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M-2H+NH4"	16.019271
"497153"	1342.517571	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M-2H+NH4"	16.019271
"867301"	458.185371	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-2H+NH4"	16.019271
"38481"	905.306866	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M-2H+Na"	20.974666
"478042"	1347.472966	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M-2H+Na"	20.974666
"858034"	463.140766	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-2H+Na"	20.974666
"1627566"	463.140766	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Na-2H"	20.974666
"103002"	459.147163	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M-H+Cl"	33.962126
"543658"	680.230213	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M-H+Cl"	33.962126
"937171"	238.064113	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-H+Cl"	33.962126
"269532"	919.301602	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+Cl"	34.969402
"660980"	1361.467702	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+Cl"	34.969402
"1273988"	477.135502	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Cl"	34.969402
"17030"	921.280806	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M-2H+K"	36.948606
"457562"	1363.446906	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M-2H+K"	36.948606
"838281"	479.114706	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-2H+K"	36.948606
"1557395"	479.114706	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+K-2H"	36.948606
"944307"	487.164294	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-H+HCOOH"	44.998194
"362763"	929.330401	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+HCOOH-H"	44.998201
"347373"	943.346051	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+Hac-H"	59.013851
"1501678"	501.179951	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Hac-H"	59.013851
"963750"	509.146251	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-H+NaCOOH"	66.980151
"113751"	477.135502	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+2Cl"	69.938804
"553312"	698.218552	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+2Cl"	69.938804
"1023570"	256.052452	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2Cl"	69.938804
"1243514"	521.084985	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Br"	78.918885
"1305234"	523.140972	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Cl+HCOOH"	80.974872
"1320177"	545.122929	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Cl+NaCOOH"	102.956829
"911356"	555.151686	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M-H+CF3COOH"	112.985586
"1288487"	591.128364	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Cl+CF3COOH"	148.962264
"1367320"	407.153424	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H-2H2O"	-35.012676
"1382996"	425.1634	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H-H2O"	-17.0027
"283411"	885.339476	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+H"	1.007276
"675685"	1327.505576	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+H"	1.007276
"1351575"	443.173376	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H"	1.007276
"125763"	443.173376	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+2H"	2.014552
"566100"	664.256426	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+2H"	2.014552
"1038791"	222.090326	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2H"	2.014552
"207421"	295.784676	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+3H"	3.021828
"646617"	443.173376	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+3H"	3.021828
"1163891"	148.395976	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+3H"	3.021828
"424407"	902.366023	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+NH4"	18.033823
"785765"	1344.532123	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+NH4"	18.033823
"1682781"	460.199923	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+NH4"	18.033823
"333245"	451.6866495	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+H+NH4"	19.041099
"724575"	672.7696995	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+H+NH4"	19.041099
"1480950"	230.6035995	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H+NH4"	19.041099
"398898"	907.321418	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+Na"	22.989218
"760624"	1349.487518	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+Na"	22.989218
"1607627"	465.155318	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Na"	22.989218
"319851"	454.164347	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+H+Na"	23.996494
"714460"	675.247397	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+H+Na"	23.996494
"1462212"	233.081297	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H+Na"	23.996494
"1053635"	155.72329	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2H+Na"	25.00377
"1258840"	475.199586	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+CH3OH+H"	33.033486
"385075"	923.295358	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+K"	38.963158
"743883"	1365.461458	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+K"	38.963158
"1543019"	481.129258	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+K"	38.963158
"301291"	462.151317	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+H+K"	39.970434
"695536"	683.234367	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+H+K"	39.970434
"1455923"	241.068267	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H+K"	39.970434
"246715"	926.366026	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+ACN+H"	42.033826
"1217236"	484.199926	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+ACN+H"	42.033826
"1196745"	242.603601	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+ACN+2H"	43.041102
"199462"	929.30336	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+2Na-H"	44.97116
"633189"	1371.46946	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+2Na-H"	44.97116
"1135603"	487.13726	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2Na-H"	44.97116
"178895"	465.155318	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+2Na"	45.978436
"618453"	686.238368	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+2Na"	45.978436
"1117948"	244.072268	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2Na"	45.978436
"1404022"	163.050604	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H+2Na"	46.985712
"1433222"	489.178846	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H+HCOOH"	47.012746
"221824"	470.18834	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+3H2O+2H"	56.04448
"1510252"	503.23089	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+IsoProp+H"	61.06479
"409209"	473.142288	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+Na+K"	61.952376
"770278"	694.225338	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+Na+K"	61.952376
"1666531"	252.059238	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Na+K"	61.952376
"251479"	948.347968	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+ACN+Na"	64.015768
"1226039"	506.181868	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+ACN+Na"	64.015768
"1713427"	506.205393	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+NH4+HCOOH"	64.039293
"1178823"	170.377918	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+3Na"	68.967654
"1652451"	511.160788	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Na+HCOOH"	68.994688
"158949"	961.25124	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+2K-H"	76.91904
"599237"	1403.41734	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+2K-H"	76.91904
"1086304"	519.08514	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2K-H"	76.91904
"143852"	481.129258	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"2M+2K"	77.926316
"585599"	702.212308	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"3M+2K"	77.926316
"1075583"	260.046208	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2K"	77.926316
"1108794"	521.099692	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2K+H"	78.933592
"1341896"	521.187307	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+DMSO+H"	79.021207
"1012616"	525.226476	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2ACN+H"	83.060376
"1531832"	526.220108	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+IsoProp+Na+H"	84.054008
"992811"	263.116876	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+2ACN+2H"	84.067652
"1588772"	527.134728	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+K+HCOOH"	84.968628
"1420629"	557.166238	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+H+CF3COOH"	115.000138
"1149826"	283.630151	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+3ACN+2H"	125.094202
"1701569"	574.192785	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+NH4+CF3COOH"	132.026685
"1636127"	579.14818	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+Na+CF3COOH"	136.98208
"1580527"	595.12212	"C02822"	"Cortisol 21-sulfate"	"C21H30O8S"	"442.1661"	"M+K+CF3COOH"	152.95602
"816718"	1354.5674	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M"	0
"988804"	1335.54901	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-H2O-H"	-19.01839
"78140"	902.037657333333	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M-3H"	-3.021828
"516606"	1353.560124	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M-3H"	-3.021828
"888942"	450.515190666667	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-3H"	-3.021828
"7517"	1353.560124	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M-2H"	-2.014552
"450359"	2030.843824	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M-2H"	-2.014552
"824880"	676.276424	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-2H"	-2.014552
"91433"	2708.127524	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M-H"	-1.007276
"529900"	4062.694924	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M-H"	-1.007276
"908432"	1353.560124	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-H"	-1.007276
"57703"	2725.154071	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M-2H+NH4"	16.019271
"500909"	4079.721471	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M-2H+NH4"	16.019271
"872878"	1370.586671	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-2H+NH4"	16.019271
"40780"	2730.109466	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M-2H+Na"	20.974666
"479248"	4084.676866	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M-2H+Na"	20.974666
"855959"	1375.542066	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-2H+Na"	20.974666
"1632418"	1375.542066	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Na-2H"	20.974666
"104207"	1371.548463	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M-H+Cl"	33.962126
"545591"	2048.832163	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M-H+Cl"	33.962126
"938375"	694.264763	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-H+Cl"	33.962126
"269034"	2744.104202	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+Cl"	34.969402
"663885"	4098.671602	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+Cl"	34.969402
"1273123"	1389.536802	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Cl"	34.969402
"16532"	2746.083406	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M-2H+K"	36.948606
"457308"	4100.650806	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M-2H+K"	36.948606
"834139"	1391.516006	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-2H+K"	36.948606
"1556047"	1391.516006	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+K-2H"	36.948606
"946481"	1399.565594	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-H+HCOOH"	44.998194
"364697"	2754.133001	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+HCOOH-H"	44.998201
"351862"	2768.148651	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+Hac-H"	59.013851
"1501787"	1413.581251	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Hac-H"	59.013851
"962769"	1421.547551	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-H+NaCOOH"	66.980151
"113862"	1389.536802	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+2Cl"	69.938804
"553423"	2066.820502	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+2Cl"	69.938804
"1022950"	712.253102	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2Cl"	69.938804
"1245811"	1433.486285	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Br"	78.918885
"1306803"	1435.542272	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Cl+HCOOH"	80.974872
"1319970"	1457.524229	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Cl+NaCOOH"	102.956829
"911586"	1467.552986	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M-H+CF3COOH"	112.985586
"1288492"	1503.529664	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Cl+CF3COOH"	148.962264
"1367602"	1319.554724	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H-2H2O"	-35.012676
"1383109"	1337.5647	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H-H2O"	-17.0027
"282839"	2710.142076	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+H"	1.007276
"675910"	4064.709476	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+H"	1.007276
"1351565"	1355.574676	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H"	1.007276
"127627"	1355.574676	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+2H"	2.014552
"565966"	2032.858376	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+2H"	2.014552
"1037319"	678.290976	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2H"	2.014552
"204410"	904.052209333333	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+3H"	3.021828
"645998"	1355.574676	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+3H"	3.021828
"1162795"	452.529742666667	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+3H"	3.021828
"424595"	2727.168623	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+NH4"	18.033823
"786927"	4081.736023	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+NH4"	18.033823
"1683987"	1372.601223	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+NH4"	18.033823
"332633"	1364.0879495	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+H+NH4"	19.041099
"725418"	2041.3716495	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+H+NH4"	19.041099
"1481060"	686.8042495	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H+NH4"	19.041099
"399740"	2732.124018	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+Na"	22.989218
"761826"	4086.691418	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+Na"	22.989218
"1605915"	1377.556618	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Na"	22.989218
"314340"	1366.565647	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+H+Na"	23.996494
"707771"	2043.849347	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+H+Na"	23.996494
"1461672"	689.281947	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H+Na"	23.996494
"1055084"	459.857056666667	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2H+Na"	25.00377
"1259314"	1387.600886	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+CH3OH+H"	33.033486
"387371"	2748.097958	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+K"	38.963158
"745087"	4102.665358	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+K"	38.963158
"1543129"	1393.530558	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+K"	38.963158
"304317"	1374.552617	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+H+K"	39.970434
"693455"	2051.836317	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+H+K"	39.970434
"1460943"	697.268917	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H+K"	39.970434
"245733"	2751.168626	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+ACN+H"	42.033826
"1220627"	1396.601226	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+ACN+H"	42.033826
"1205602"	698.804251	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+ACN+2H"	43.041102
"201396"	2754.10596	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+2Na-H"	44.97116
"639133"	4108.67336	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+2Na-H"	44.97116
"1143372"	1399.53856	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2Na-H"	44.97116
"179372"	1377.556618	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+2Na"	45.978436
"615646"	2054.840318	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+2Na"	45.978436
"1121339"	700.272918	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2Na"	45.978436
"1405228"	467.184370666667	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H+2Na"	46.985712
"1435888"	1401.580146	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H+HCOOH"	47.012746
"223030"	1382.58964	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+3H2O+2H"	56.04448
"1519111"	1415.63219	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+IsoProp+H"	61.06479
"411507"	1385.543588	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+Na+K"	61.952376
"771044"	2062.827288	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+Na+K"	61.952376
"1665710"	708.259888	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Na+K"	61.952376
"252066"	2773.150568	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+ACN+Na"	64.015768
"1225751"	1418.583168	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+ACN+Na"	64.015768
"1713043"	1418.606693	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+NH4+HCOOH"	64.039293
"1183037"	474.511684666667	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+3Na"	68.967654
"1657307"	1423.562088	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Na+HCOOH"	68.994688
"159795"	2786.05384	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+2K-H"	76.91904
"598383"	4140.62124	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+2K-H"	76.91904
"1090429"	1431.48644	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2K-H"	76.91904
"143964"	1393.530558	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"2M+2K"	77.926316
"584616"	2070.814258	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"3M+2K"	77.926316
"1078975"	716.246858	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2K"	77.926316
"1111092"	1433.500992	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2K+H"	78.933592
"1347479"	1433.588607	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+DMSO+H"	79.021207
"1016011"	1437.627776	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2ACN+H"	83.060376
"1533039"	1438.621408	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+IsoProp+Na+H"	84.054008
"999488"	719.317526	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+2ACN+2H"	84.067652
"1595085"	1439.536028	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+K+HCOOH"	84.968628
"1420742"	1469.567538	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+H+CF3COOH"	115.000138
"1156500"	739.830801	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+3ACN+2H"	125.094202
"1707148"	1486.594085	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+NH4+CF3COOH"	132.026685
"1637330"	1491.54948	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+Na+CF3COOH"	136.98208
"1580637"	1507.52342	"C02823"	"Cyanocobalamin;Cyanocob(III)alamin;Dicopac;Vitamin B12 complex"	"C63H88CoN14O14P"	"1354.5674"	"M+K+CF3COOH"	152.95602
"801522"	179.0616	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M"	0
"981258"	160.04321	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-H2O-H"	-19.01839
"73874"	118.367124	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M-3H"	-3.021828
"515623"	178.054324	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M-3H"	-3.021828
"889051"	58.679924	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-3H"	-3.021828
"6533"	178.054324	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M-2H"	-2.014552
"445001"	267.585124	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M-2H"	-2.014552
"819522"	88.523524	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-2H"	-2.014552
"91543"	357.115924	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M-H"	-1.007276
"531103"	536.177524	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M-H"	-1.007276
"908177"	178.054324	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-H"	-1.007276
"57813"	374.142471	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M-2H+NH4"	16.019271
"500655"	553.204071	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M-2H+NH4"	16.019271
"872624"	195.080871	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-2H+NH4"	16.019271
"37610"	379.097866	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M-2H+Na"	20.974666
"480451"	558.159466	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M-2H+Na"	20.974666
"854975"	200.036266	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-2H+Na"	20.974666
"1629975"	200.036266	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Na-2H"	20.974666
"104317"	196.042663	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M-H+Cl"	33.962126
"547158"	285.573463	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M-H+Cl"	33.962126
"938485"	106.511863	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-H+Cl"	33.962126
"268293"	393.092602	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+Cl"	34.969402
"663630"	572.154202	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+Cl"	34.969402
"1272867"	214.031002	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Cl"	34.969402
"16601"	395.071806	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M-2H+K"	36.948606
"456446"	574.133406	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M-2H+K"	36.948606
"833398"	216.010206	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-2H+K"	36.948606
"1556517"	216.010206	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+K-2H"	36.948606
"944405"	224.059794	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-H+HCOOH"	44.998194
"365900"	403.121401	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+HCOOH-H"	44.998201
"354159"	417.137051	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+Hac-H"	59.013851
"1500804"	238.075451	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Hac-H"	59.013851
"966159"	246.041751	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-H+NaCOOH"	66.980151
"115064"	214.031002	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+2Cl"	69.938804
"556814"	303.561802	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+2Cl"	69.938804
"1022697"	124.500202	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2Cl"	69.938804
"1248473"	257.980485	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Br"	78.918885
"1307278"	260.036472	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Cl+HCOOH"	80.974872
"1320406"	282.018429	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Cl+NaCOOH"	102.956829
"912063"	292.047186	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M-H+CF3COOH"	112.985586
"1289024"	328.023864	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Cl+CF3COOH"	148.962264
"1369983"	144.048924	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H-2H2O"	-35.012676
"1383261"	162.0589	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H-H2O"	-17.0027
"282979"	359.130476	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+H"	1.007276
"675856"	538.192076	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+H"	1.007276
"1351511"	180.068876	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H"	1.007276
"125932"	180.068876	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+2H"	2.014552
"566105"	269.599676	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+2H"	2.014552
"1037451"	90.538076	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2H"	2.014552
"204830"	120.381676	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+3H"	3.021828
"644884"	180.068876	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+3H"	3.021828
"1164222"	60.694476	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+3H"	3.021828
"424824"	376.157023	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+NH4"	18.033823
"787031"	555.218623	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+NH4"	18.033823
"1681985"	197.095423	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+NH4"	18.033823
"331647"	188.5821495	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+H+NH4"	19.041099
"725528"	278.1129495	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+H+NH4"	19.041099
"1479711"	99.0513495	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H+NH4"	19.041099
"394746"	381.112418	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+Na"	22.989218
"759748"	560.174018	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+Na"	22.989218
"1603230"	202.050818	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Na"	22.989218
"314470"	191.059847	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+H+Na"	23.996494
"707212"	280.590647	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+H+Na"	23.996494
"1461571"	101.529047	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H+Na"	23.996494
"1056286"	68.02179	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2H+Na"	25.00377
"1257256"	212.095086	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+CH3OH+H"	33.033486
"385296"	397.086358	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+K"	38.963158
"746289"	576.147958	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+K"	38.963158
"1540686"	218.024758	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+K"	38.963158
"298992"	199.046817	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+H+K"	39.970434
"695752"	288.577617	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+H+K"	39.970434
"1460522"	109.516017	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H+K"	39.970434
"243656"	400.157026	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+ACN+H"	42.033826
"1218550"	221.095426	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+ACN+H"	42.033826
"1204618"	111.051351	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+ACN+2H"	43.041102
"200049"	403.09436	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+2Na-H"	44.97116
"639243"	582.15596	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+2Na-H"	44.97116
"1141660"	224.03276	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2Na-H"	44.97116
"179482"	202.050818	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+2Na"	45.978436
"614663"	291.581618	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+2Na"	45.978436
"1122542"	112.520018	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2Na"	45.978436
"1405338"	75.349104	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H+2Na"	46.985712
"1438185"	226.074346	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H+HCOOH"	47.012746
"222775"	207.08384	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+3H2O+2H"	56.04448
"1518128"	240.12639	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+IsoProp+H"	61.06479
"410888"	210.037788	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+Na+K"	61.952376
"771154"	299.568588	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+Na+K"	61.952376
"1665702"	120.506988	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Na+K"	61.952376
"251934"	422.138968	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+ACN+Na"	64.015768
"1225650"	243.077368	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+ACN+Na"	64.015768
"1712907"	243.100893	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+NH4+HCOOH"	64.039293
"1182054"	82.676418	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+3Na"	68.967654
"1657417"	248.056288	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Na+HCOOH"	68.994688
"159176"	435.04224	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+2K-H"	76.91904
"598736"	614.10384	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+2K-H"	76.91904
"1090539"	255.98064	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2K-H"	76.91904
"143345"	218.024758	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"2M+2K"	77.926316
"585090"	307.555558	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"3M+2K"	77.926316
"1079085"	128.493958	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2K"	77.926316
"1109014"	257.995192	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2K+H"	78.933592
"1347226"	258.082807	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+DMSO+H"	79.021207
"1016121"	262.121976	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2ACN+H"	83.060376
"1532056"	263.115608	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+IsoProp+Na+H"	84.054008
"999598"	131.564626	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+2ACN+2H"	84.067652
"1594101"	264.030228	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+K+HCOOH"	84.968628
"1420852"	294.061738	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+H+CF3COOH"	115.000138
"1154423"	152.077901	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+3ACN+2H"	125.094202
"1707258"	311.088285	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+NH4+CF3COOH"	132.026685
"1637440"	316.04368	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+Na+CF3COOH"	136.98208
"1580747"	332.01762	"C02824"	"Cyclohexylsulfamate;Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate"	"C6H13NO3S"	"179.0616"	"M+K+CF3COOH"	152.95602
"802365"	405.2277	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M"	0
"981368"	386.20931	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-H2O-H"	-19.01839
"73984"	269.144524	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M-3H"	-3.021828
"511359"	404.220424	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M-3H"	-3.021828
"885881"	134.068624	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-3H"	-3.021828
"6643"	404.220424	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M-2H"	-2.014552
"450579"	606.834274	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M-2H"	-2.014552
"830568"	201.606574	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-2H"	-2.014552
"92021"	809.448124	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M-H"	-1.007276
"529759"	1214.675824	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M-H"	-1.007276
"906832"	404.220424	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-H"	-1.007276
"57924"	826.474671	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M-2H+NH4"	16.019271
"499673"	1231.702371	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M-2H+NH4"	16.019271
"876015"	421.246971	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-2H+NH4"	16.019271
"38814"	831.430066	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M-2H+Na"	20.974666
"480562"	1236.657766	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M-2H+Na"	20.974666
"857272"	426.202366	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-2H+Na"	20.974666
"1625712"	426.202366	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Na-2H"	20.974666
"104427"	422.208763	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M-H+Cl"	33.962126
"543987"	624.822613	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M-H+Cl"	33.962126
"937138"	219.594913	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-H+Cl"	33.962126
"267267"	845.424802	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+Cl"	34.969402
"661554"	1250.652502	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+Cl"	34.969402
"1272779"	440.197102	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Cl"	34.969402
"15982"	847.404006	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M-2H+K"	36.948606
"456067"	1252.631706	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M-2H+K"	36.948606
"834237"	442.176306	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-2H+K"	36.948606
"1556998"	442.176306	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+K-2H"	36.948606
"946703"	450.225894	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-H+HCOOH"	44.998194
"362730"	855.453601	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+HCOOH-H"	44.998201
"354269"	869.469251	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+Hac-H"	59.013851
"1500914"	464.241551	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Hac-H"	59.013851
"968456"	472.207851	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-H+NaCOOH"	66.980151
"116268"	440.197102	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+2Cl"	69.938804
"555831"	642.810952	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+2Cl"	69.938804
"1025725"	237.583252	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2Cl"	69.938804
"1248584"	484.146585	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Br"	78.918885
"1308848"	486.202572	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Cl+HCOOH"	80.974872
"1321245"	508.184529	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Cl+NaCOOH"	102.956829
"911568"	518.213286	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M-H+CF3COOH"	112.985586
"1290106"	554.189964	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Cl+CF3COOH"	148.962264
"1370821"	370.215024	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H-2H2O"	-35.012676
"1382774"	388.225	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H-H2O"	-17.0027
"283090"	811.462676	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+H"	1.007276
"675925"	1216.690376	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+H"	1.007276
"1352035"	406.234976	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H"	1.007276
"125708"	406.234976	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+2H"	2.014552
"566300"	608.848826	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+2H"	2.014552
"1037171"	203.621126	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2H"	2.014552
"204947"	271.159076	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+3H"	3.021828
"644755"	406.234976	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+3H"	3.021828
"1163364"	136.083176	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+3H"	3.021828
"425176"	828.489223	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+NH4"	18.033823
"787505"	1233.716923	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+NH4"	18.033823
"1683836"	423.261523	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+NH4"	18.033823
"331756"	414.7482495	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+H+NH4"	19.041099
"726001"	617.3620995	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+H+NH4"	19.041099
"1479457"	212.1343995	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H+NH4"	19.041099
"397771"	833.444618	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+Na"	22.989218
"762045"	1238.672318	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+Na"	22.989218
"1603949"	428.216918	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Na"	22.989218
"314825"	417.225947	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+H+Na"	23.996494
"707491"	619.839797	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+H+Na"	23.996494
"1461673"	214.612097	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H+Na"	23.996494
"1052984"	143.41049	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2H+Na"	25.00377
"1257249"	438.261186	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+CH3OH+H"	33.033486
"387592"	849.418558	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+K"	38.963158
"745305"	1254.646258	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+K"	38.963158
"1540429"	444.190858	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+K"	38.963158
"299184"	425.212917	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+H+K"	39.970434
"694768"	627.826767	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+H+K"	39.970434
"1454069"	222.599067	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H+K"	39.970434
"243766"	852.489226	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+ACN+H"	42.033826
"1219753"	447.261526	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+ACN+H"	42.033826
"1201448"	224.134401	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+ACN+2H"	43.041102
"190677"	855.42656	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+2Na-H"	44.97116
"639352"	1260.65426	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+2Na-H"	44.97116
"1141770"	450.19886	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2Na-H"	44.97116
"177767"	428.216918	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+2Na"	45.978436
"613022"	630.830768	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+2Na"	45.978436
"1119007"	225.603068	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2Na"	45.978436
"1403991"	150.737804	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H+2Na"	46.985712
"1436108"	452.240446	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H+HCOOH"	47.012746
"222156"	433.24994	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+3H2O+2H"	56.04448
"1511676"	466.29249	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+IsoProp+H"	61.06479
"408887"	436.203888	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+Na+K"	61.952376
"770899"	638.817738	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+Na+K"	61.952376
"1666007"	233.590038	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Na+K"	61.952376
"251795"	874.471168	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+ACN+Na"	64.015768
"1225759"	469.243468	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+ACN+Na"	64.015768
"1712726"	469.266993	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+NH4+HCOOH"	64.039293
"1182167"	158.065118	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+3Na"	68.967654
"1657527"	474.222388	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Na+HCOOH"	68.994688
"159286"	887.37444	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+2K-H"	76.91904
"597429"	1292.60214	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+2K-H"	76.91904
"1090649"	482.14674	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2K-H"	76.91904
"143091"	444.190858	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"2M+2K"	77.926316
"583743"	646.804708	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"3M+2K"	77.926316
"1075912"	241.577008	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2K"	77.926316
"1111312"	484.161292	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2K+H"	78.933592
"1344416"	484.248907	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+DMSO+H"	79.021207
"1012950"	488.288076	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2ACN+H"	83.060376
"1536542"	489.281708	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+IsoProp+Na+H"	84.054008
"999708"	244.647676	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+2ACN+2H"	84.067652
"1594212"	490.196328	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+K+HCOOH"	84.968628
"1426430"	520.227838	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+H+CF3COOH"	115.000138
"1154533"	265.160951	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+3ACN+2H"	125.094202
"1708459"	537.254385	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+NH4+CF3COOH"	132.026685
"1637549"	542.20978	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+Na+CF3COOH"	136.98208
"1572107"	558.18372	"C02825"	"Cypridina luciferin"	"C22H27N7O"	"405.2277"	"M+K+CF3COOH"	152.95602
"804662"	260.0202	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M"	0
"981478"	241.00181	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H2O-H"	-19.01839
"74094"	172.339524	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-3H"	-3.021828
"508189"	259.012924	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-3H"	-3.021828
"882711"	85.666124	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-3H"	-3.021828
"6753"	259.012924	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H"	-2.014552
"449596"	389.023024	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H"	-2.014552
"829585"	129.002824	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H"	-2.014552
"90673"	519.033124	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-H"	-1.007276
"529140"	779.053324	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-H"	-1.007276
"906942"	259.012924	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H"	-1.007276
"54754"	536.059671	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H+NH4"	16.019271
"500511"	796.079871	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H+NH4"	16.019271
"876125"	276.039471	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H+NH4"	16.019271
"42206"	541.015066	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H+Na"	20.974666
"482861"	801.035266	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H+Na"	20.974666
"859570"	280.994866	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H+Na"	20.974666
"1625822"	280.994866	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na-2H"	20.974666
"105267"	277.001263	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-H+Cl"	33.962126
"546285"	407.011363	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-H+Cl"	33.962126
"937615"	146.991163	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+Cl"	33.962126
"267254"	555.009802	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Cl"	34.969402
"659958"	815.030002	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+Cl"	34.969402
"1273209"	294.989602	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl"	34.969402
"17348"	556.989006	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M-2H+K"	36.948606
"457274"	817.009206	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M-2H+K"	36.948606
"833129"	296.968806	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-2H+K"	36.948606
"1556498"	296.968806	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K-2H"	36.948606
"944988"	305.018394	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+HCOOH"	44.998194
"363568"	565.038601	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+HCOOH-H"	44.998201
"349274"	579.054251	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Hac-H"	59.013851
"1497013"	319.034051	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Hac-H"	59.013851
"965286"	327.000351	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+NaCOOH"	66.980151
"113463"	294.989602	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2Cl"	69.938804
"553388"	424.999702	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2Cl"	69.938804
"1024011"	164.979502	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2Cl"	69.938804
"1246507"	338.939085	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Br"	78.918885
"1310415"	340.995072	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl+HCOOH"	80.974872
"1323908"	362.977029	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl+NaCOOH"	102.956829
"912528"	373.005786	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M-H+CF3COOH"	112.985586
"1293134"	408.982464	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Cl+CF3COOH"	148.962264
"1373483"	225.007524	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H-2H2O"	-35.012676
"1383441"	243.0175	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H-H2O"	-17.0027
"284098"	521.047676	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H"	1.007276
"677987"	781.067876	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H"	1.007276
"1356157"	261.027476	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H"	1.007276
"126130"	261.027476	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2H"	2.014552
"566298"	391.037576	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2H"	2.014552
"1038009"	131.017376	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2H"	2.014552
"205306"	174.354076	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+3H"	3.021828
"644990"	261.027476	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+3H"	3.021828
"1165180"	87.680676	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+3H"	3.021828
"425899"	538.074223	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+NH4"	18.033823
"786527"	798.094423	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+NH4"	18.033823
"1682130"	278.054023	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+NH4"	18.033823
"332961"	269.5407495	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H+NH4"	19.041099
"728663"	399.5508495	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H+NH4"	19.041099
"1480662"	139.5306495	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+NH4"	19.041099
"400068"	543.029618	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Na"	22.989218
"765439"	803.049818	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+Na"	22.989218
"1606975"	283.009418	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na"	22.989218
"315066"	272.018447	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H+Na"	23.996494
"707730"	402.028547	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H+Na"	23.996494
"1461913"	142.008347	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+Na"	23.996494
"1053711"	95.00799	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2H+Na"	25.00377
"1258058"	293.053686	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+CH3OH+H"	33.033486
"384419"	559.003558	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+K"	38.963158
"744320"	819.023758	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+K"	38.963158
"1540904"	298.983358	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K"	38.963158
"299294"	280.005417	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+H+K"	39.970434
"700345"	410.015517	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+H+K"	39.970434
"1453085"	149.995317	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+K"	39.970434
"244967"	562.074226	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+ACN+H"	42.033826
"1217676"	302.054026	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+ACN+H"	42.033826
"1203745"	151.530651	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+ACN+2H"	43.041102
"190787"	565.01156	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2Na-H"	44.97116
"639462"	825.03176	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2Na-H"	44.97116
"1139690"	304.99136	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2Na-H"	44.97116
"177876"	283.009418	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2Na"	45.978436
"615976"	413.019518	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2Na"	45.978436
"1119117"	152.999318	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2Na"	45.978436
"1404465"	102.335304	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+2Na"	46.985712
"1435124"	307.032946	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+HCOOH"	47.012746
"221901"	288.04244	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+3H2O+2H"	56.04448
"1509355"	321.08499	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+IsoProp+H"	61.06479
"409892"	290.996388	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+Na+K"	61.952376
"771739"	421.006488	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+Na+K"	61.952376
"1667097"	160.986288	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na+K"	61.952376
"251443"	584.056168	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+ACN+Na"	64.015768
"1225674"	324.035968	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+ACN+Na"	64.015768
"1712912"	324.059493	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+NH4+HCOOH"	64.039293
"1182277"	109.662618	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+3Na"	68.967654
"1654357"	329.014888	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na+HCOOH"	68.994688
"159396"	596.95944	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2K-H"	76.91904
"597863"	856.97964	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2K-H"	76.91904
"1090759"	336.93924	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2K-H"	76.91904
"142105"	298.983358	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"2M+2K"	77.926316
"583853"	428.993458	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"3M+2K"	77.926316
"1076022"	168.973258	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2K"	77.926316
"1109235"	338.953792	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2K+H"	78.933592
"1344526"	339.041407	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+DMSO+H"	79.021207
"1010872"	343.080576	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2ACN+H"	83.060376
"1531185"	344.074208	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+IsoProp+Na+H"	84.054008
"1000910"	172.043926	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+2ACN+2H"	84.067652
"1593227"	344.988828	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K+HCOOH"	84.968628
"1421073"	375.020338	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+H+CF3COOH"	115.000138
"1151363"	192.557201	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+3ACN+2H"	125.094202
"1702009"	392.046885	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+NH4+CF3COOH"	132.026685
"1639845"	397.00228	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+Na+CF3COOH"	136.98208
"1571852"	412.97622	"C02827"	"D-Glucose 6-sulfate"	"C6H12O9S"	"260.0202"	"M+K+CF3COOH"	152.95602
"801639"	450.2146	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M"	0
"978308"	431.19621	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-H2O-H"	-19.01839
"74204"	299.135790666667	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M-3H"	-3.021828
"509392"	449.207324	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M-3H"	-3.021828
"883914"	149.064257333333	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-3H"	-3.021828
"5769"	449.207324	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M-2H"	-2.014552
"448613"	674.314624	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M-2H"	-2.014552
"827509"	224.100024	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-2H"	-2.014552
"92605"	899.421924	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M-H"	-1.007276
"532166"	1349.636524	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M-H"	-1.007276
"908145"	449.207324	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-H"	-1.007276
"57052"	916.448471	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M-2H+NH4"	16.019271
"500622"	1366.663071	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M-2H+NH4"	16.019271
"875142"	466.233871	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-2H+NH4"	16.019271
"41223"	921.403866	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M-2H+Na"	20.974666
"481877"	1371.618466	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M-2H+Na"	20.974666
"855305"	471.189266	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-2H+Na"	20.974666
"1627025"	471.189266	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Na-2H"	20.974666
"104647"	467.195663	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M-H+Cl"	33.962126
"543115"	692.302963	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M-H+Cl"	33.962126
"937725"	242.088363	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-H+Cl"	33.962126
"267447"	935.398602	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+Cl"	34.969402
"660799"	1385.613202	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+Cl"	34.969402
"1273803"	485.184002	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Cl"	34.969402
"16483"	937.377806	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M-2H+K"	36.948606
"456529"	1387.592406	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M-2H+K"	36.948606
"834452"	487.163206	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-2H+K"	36.948606
"1557334"	487.163206	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+K-2H"	36.948606
"944732"	495.212794	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-H+HCOOH"	44.998194
"363312"	945.427401	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+HCOOH-H"	44.998201
"347074"	959.443051	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+Hac-H"	59.013851
"1496033"	509.228451	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Hac-H"	59.013851
"964302"	517.194751	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-H+NaCOOH"	66.980151
"115760"	485.184002	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+2Cl"	69.938804
"552405"	710.291302	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+2Cl"	69.938804
"1024121"	260.076702	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2Cl"	69.938804
"1246616"	529.133485	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Br"	78.918885
"1309068"	531.189472	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Cl+HCOOH"	80.974872
"1322195"	553.171429	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Cl+NaCOOH"	102.956829
"912517"	563.200186	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M-H+CF3COOH"	112.985586
"1289107"	599.176864	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Cl+CF3COOH"	148.962264
"1368483"	415.201924	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H-2H2O"	-35.012676
"1383178"	433.2119	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H-H2O"	-17.0027
"283719"	901.436476	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+H"	1.007276
"680281"	1351.651076	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+H"	1.007276
"1356631"	451.221876	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H"	1.007276
"127334"	451.221876	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+2H"	2.014552
"567989"	676.329176	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+2H"	2.014552
"1037390"	226.114576	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2H"	2.014552
"205658"	301.150342666667	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+3H"	3.021828
"645342"	451.221876	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+3H"	3.021828
"1164197"	151.078809333333	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+3H"	3.021828
"424915"	918.463023	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+NH4"	18.033823
"787368"	1368.677623	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+NH4"	18.033823
"1682603"	468.248423	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+NH4"	18.033823
"335259"	459.7351495	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+H+NH4"	19.041099
"727679"	684.8424495	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+H+NH4"	19.041099
"1483687"	234.6278495	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H+NH4"	19.041099
"403460"	923.418418	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+Na"	22.989218
"767737"	1373.633018	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+Na"	22.989218
"1605019"	473.203818	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Na"	22.989218
"315906"	462.212847	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+H+Na"	23.996494
"707722"	687.320147	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+H+Na"	23.996494
"1464096"	237.105547	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H+Na"	23.996494
"1055523"	158.406123333333	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2H+Na"	25.00377
"1260115"	483.248086	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+CH3OH+H"	33.033486
"381250"	939.392358	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+K"	38.963158
"740057"	1389.606958	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+K"	38.963158
"1541744"	489.177758	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+K"	38.963158
"299646"	470.199817	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+H+K"	39.970434
"697176"	695.307117	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+H+K"	39.970434
"1455017"	245.092517	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H+K"	39.970434
"242890"	942.463026	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+ACN+H"	42.033826
"1214506"	492.248426	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+ACN+H"	42.033826
"1198388"	246.627851	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+ACN+2H"	43.041102
"189804"	945.40036	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+2Na-H"	44.97116
"634102"	1395.61496	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+2Na-H"	44.97116
"1140894"	495.18576	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2Na-H"	44.97116
"177986"	473.203818	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+2Na"	45.978436
"615361"	698.311118	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+2Na"	45.978436
"1117405"	248.096518	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2Na"	45.978436
"1400685"	165.733437333333	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H+2Na"	46.985712
"1432682"	497.227346	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H+HCOOH"	47.012746
"220668"	478.23684	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+3H2O+2H"	56.04448
"1508897"	511.27939	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+IsoProp+H"	61.06479
"408784"	481.190788	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+Na+K"	61.952376
"769957"	706.298088	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+Na+K"	61.952376
"1665781"	256.083488	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Na+K"	61.952376
"251541"	964.444968	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+ACN+Na"	64.015768
"1226308"	514.230368	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+ACN+Na"	64.015768
"1713007"	514.253893	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+NH4+HCOOH"	64.039293
"1183480"	173.060751333333	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+3Na"	68.967654
"1653374"	519.209288	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Na+HCOOH"	68.994688
"159506"	977.34824	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+2K-H"	76.91904
"597200"	1427.56284	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+2K-H"	76.91904
"1087589"	527.13364	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2K-H"	76.91904
"141730"	489.177758	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"2M+2K"	77.926316
"581896"	714.285058	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"3M+2K"	77.926316
"1073946"	264.070458	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2K"	77.926316
"1108252"	529.148192	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2K+H"	78.933592
"1340260"	529.235807	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+DMSO+H"	79.021207
"1014261"	533.274976	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2ACN+H"	83.060376
"1531295"	534.268608	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+IsoProp+Na+H"	84.054008
"997740"	267.141126	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+2ACN+2H"	84.067652
"1592244"	535.183228	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+K+HCOOH"	84.968628
"1417903"	565.214738	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+H+CF3COOH"	115.000138
"1151473"	287.654401	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+3ACN+2H"	125.094202
"1702119"	582.241285	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+NH4+CF3COOH"	132.026685
"1639955"	587.19668	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+Na+CF3COOH"	136.98208
"1571962"	603.17062	"C02828"	"D-Phe-Pro-Arg-CH2Cl"	"C21H31ClN6O3"	"450.2146"	"M+K+CF3COOH"	152.95602
"811447"	126.0429	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M"	0
"981698"	107.02451	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-H2O-H"	-19.01839
"75408"	83.021324	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M-3H"	-3.021828
"506222"	125.035624	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M-3H"	-3.021828
"880499"	41.007024	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-3H"	-3.021828
"3695"	125.035624	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M-2H"	-2.014552
"447630"	188.057074	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M-2H"	-2.014552
"821058"	62.014174	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-2H"	-2.014552
"88705"	251.078524	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M-H"	-1.007276
"530089"	377.121424	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M-H"	-1.007276
"903882"	125.035624	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-H"	-1.007276
"56069"	268.105071	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M-2H+NH4"	16.019271
"496722"	394.147971	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M-2H+NH4"	16.019271
"869055"	142.062171	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-2H+NH4"	16.019271
"38049"	273.060466	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M-2H+Na"	20.974666
"479798"	399.103366	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M-2H+Na"	20.974666
"857600"	147.017566	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-2H+Na"	20.974666
"1627135"	147.017566	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Na-2H"	20.974666
"105850"	143.023963	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M-H+Cl"	33.962126
"542131"	206.045413	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M-H+Cl"	33.962126
"929083"	80.002513	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-H+Cl"	33.962126
"268002"	287.055202	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+Cl"	34.969402
"660908"	413.098102	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+Cl"	34.969402
"1274281"	161.012302	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Cl"	34.969402
"17443"	289.034406	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M-2H+K"	36.948606
"456885"	415.077306	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M-2H+K"	36.948606
"834201"	162.991506	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-2H+K"	36.948606
"1559147"	162.991506	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+K-2H"	36.948606
"945207"	171.041094	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-H+HCOOH"	44.998194
"364152"	297.084001	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+HCOOH-H"	44.998201
"348398"	311.099651	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+Hac-H"	59.013851
"1502337"	185.056751	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Hac-H"	59.013851
"962951"	193.023051	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-H+NaCOOH"	66.980151
"116599"	161.012302	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+2Cl"	69.938804
"554702"	224.033752	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+2Cl"	69.938804
"1023502"	97.990852	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2Cl"	69.938804
"1242473"	204.961785	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Br"	78.918885
"1308817"	207.017772	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Cl+HCOOH"	80.974872
"1322305"	228.999729	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Cl+NaCOOH"	102.956829
"912998"	239.028486	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M-H+CF3COOH"	112.985586
"1289706"	275.005164	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Cl+CF3COOH"	148.962264
"1368957"	91.030224	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H-2H2O"	-35.012676
"1383535"	109.0402	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H-H2O"	-17.0027
"284803"	253.093076	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+H"	1.007276
"683309"	379.135976	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+H"	1.007276
"1354557"	127.050176	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H"	1.007276
"127809"	127.050176	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+2H"	2.014552
"567370"	190.071626	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+2H"	2.014552
"1038112"	64.028726	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2H"	2.014552
"205283"	85.035876	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+3H"	3.021828
"644482"	127.050176	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+3H"	3.021828
"1164673"	43.021576	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+3H"	3.021828
"425878"	270.119623	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+NH4"	18.033823
"788575"	396.162523	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+NH4"	18.033823
"1685997"	144.076723	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+NH4"	18.033823
"334276"	135.5634495	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+H+NH4"	19.041099
"729977"	198.5848995	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+H+NH4"	19.041099
"1484160"	72.5419995	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H+NH4"	19.041099
"402477"	275.075018	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+Na"	22.989218
"765659"	401.117918	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+Na"	22.989218
"1604402"	149.032118	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Na"	22.989218
"315287"	138.041147	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+H+Na"	23.996494
"708197"	201.062597	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+H+Na"	23.996494
"1462869"	75.019697	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H+Na"	23.996494
"1054905"	50.34889	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2H+Na"	25.00377
"1259865"	159.076386	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+CH3OH+H"	33.033486
"380262"	291.048958	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+K"	38.963158
"740891"	417.091858	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+K"	38.963158
"1541121"	165.006058	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+K"	38.963158
"299391"	146.028117	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+H+K"	39.970434
"700577"	209.049567	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+H+K"	39.970434
"1454399"	83.006667	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H+K"	39.970434
"246279"	294.119626	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+ACN+H"	42.033826
"1220082"	168.076726	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+ACN+H"	42.033826
"1196678"	84.542001	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+ACN+2H"	43.041102
"189667"	297.05696	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+2Na-H"	44.97116
"633119"	423.09986	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+2Na-H"	44.97116
"1138448"	171.01406	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2Na-H"	44.97116
"177002"	149.032118	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+2Na"	45.978436
"618384"	212.053568	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+2Na"	45.978436
"1120795"	86.010668	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2Na"	45.978436
"1405413"	57.676204	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H+2Na"	46.985712
"1438623"	173.055646	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H+HCOOH"	47.012746
"222121"	154.06514	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+3H2O+2H"	56.04448
"1509941"	187.10769	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+IsoProp+H"	61.06479
"409382"	157.019088	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+Na+K"	61.952376
"770747"	220.040538	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+Na+K"	61.952376
"1667925"	93.997638	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Na+K"	61.952376
"252740"	316.101568	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+ACN+Na"	64.015768
"1227877"	190.058668	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+ACN+Na"	64.015768
"1713485"	190.082193	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+NH4+HCOOH"	64.039293
"1181402"	65.003518	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+3Na"	68.967654
"1653481"	195.037588	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Na+HCOOH"	68.994688
"158520"	329.00484	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+2K-H"	76.91904
"598810"	455.04774	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+2K-H"	76.91904
"1085511"	202.96194	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2K-H"	76.91904
"144514"	165.006058	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"2M+2K"	77.926316
"586265"	228.027508	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"3M+2K"	77.926316
"1069559"	101.984608	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2K"	77.926316
"1108362"	204.976492	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2K+H"	78.933592
"1345841"	205.064107	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+DMSO+H"	79.021207
"1013277"	209.103276	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2ACN+H"	83.060376
"1530309"	210.096908	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+IsoProp+Na+H"	84.054008
"1001133"	105.055276	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+2ACN+2H"	84.067652
"1597820"	211.011528	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+K+HCOOH"	84.968628
"1420200"	241.043038	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+H+CF3COOH"	115.000138
"1153769"	125.568551	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+3ACN+2H"	125.094202
"1702228"	258.069585	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+NH4+CF3COOH"	132.026685
"1643345"	263.02498	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+Na+CF3COOH"	136.98208
"1581189"	278.99892	"C02835"	"Imidazole-4-acetate;Imidazoleacetic acid;4-Imidazoleacetate"	"C5H6N2O2"	"126.0429"	"M+K+CF3COOH"	152.95602
"811557"	128.095	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M"	0
"978528"	109.07661	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H2O-H"	-19.01839
"76611"	84.3893906666667	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-3H"	-3.021828
"504145"	127.087724	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-3H"	-3.021828
"880729"	41.6910573333333	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-3H"	-3.021828
"2712"	127.087724	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H"	-2.014552
"447740"	191.135224	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H"	-2.014552
"821168"	63.040224	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H"	-2.014552
"91001"	255.182724	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-H"	-1.007276
"529469"	383.277724	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-H"	-1.007276
"905086"	127.087724	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H"	-1.007276
"55086"	272.209271	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H+NH4"	16.019271
"496469"	400.304271	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H+NH4"	16.019271
"872446"	144.114271	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H+NH4"	16.019271
"34879"	277.164666	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H+Na"	20.974666
"478816"	405.259666	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H+Na"	20.974666
"853337"	149.069666	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H+Na"	20.974666
"1626151"	149.069666	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na-2H"	20.974666
"104867"	145.076063	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-H+Cl"	33.962126
"541146"	209.123563	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-H+Cl"	33.962126
"927854"	81.028563	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+Cl"	33.962126
"268601"	291.159402	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Cl"	34.969402
"660405"	419.254402	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+Cl"	34.969402
"1273418"	163.064402	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl"	34.969402
"16217"	293.138606	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H+K"	36.948606
"456023"	421.233606	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H+K"	36.948606
"833337"	165.043606	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H+K"	36.948606
"1556460"	165.043606	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K-2H"	36.948606
"943616"	173.093194	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+HCOOH"	44.998194
"363168"	301.188201	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+HCOOH-H"	44.998201
"347781"	315.203851	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Hac-H"	59.013851
"1495885"	187.108851	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Hac-H"	59.013851
"960630"	195.075151	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+NaCOOH"	66.980151
"114519"	163.064402	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2Cl"	69.938804
"554083"	227.111902	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2Cl"	69.938804
"1024342"	99.016902	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2Cl"	69.938804
"1247202"	207.013885	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Br"	78.918885
"1306009"	209.069872	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl+HCOOH"	80.974872
"1324602"	231.051829	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl+NaCOOH"	102.956829
"913109"	241.080586	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+CF3COOH"	112.985586
"1289816"	277.057264	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl+CF3COOH"	148.962264
"1368703"	93.082324	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H-2H2O"	-35.012676
"1383645"	111.0923	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H-H2O"	-17.0027
"284426"	257.197276	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H"	1.007276
"683419"	385.292276	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H"	1.007276
"1354302"	129.102276	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H"	1.007276
"126945"	129.102276	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2H"	2.014552
"566261"	193.149776	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2H"	2.014552
"1037492"	65.054776	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2H"	2.014552
"204420"	86.4039426666667	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+3H"	3.021828
"645198"	129.102276	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+3H"	3.021828
"1166605"	43.7056093333333	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+3H"	3.021828
"425504"	274.223823	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+NH4"	18.033823
"788684"	402.318823	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+NH4"	18.033823
"1687202"	146.128823	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+NH4"	18.033823
"336573"	137.6155495	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H+NH4"	19.041099
"730086"	201.6630495	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H+NH4"	19.041099
"1483906"	73.5680495	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+NH4"	19.041099
"403682"	279.179218	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Na"	22.989218
"767593"	407.274218	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+Na"	22.989218
"1605241"	151.084218	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na"	22.989218
"315033"	140.093247	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H+Na"	23.996494
"707821"	204.140747	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H+Na"	23.996494
"1462371"	76.045747	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+Na"	23.996494
"1056108"	51.0329233333333	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2H+Na"	25.00377
"1258881"	161.128486	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+CH3OH+H"	33.033486
"379277"	295.153158	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+K"	38.963158
"742459"	423.248158	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+K"	38.963158
"1542691"	167.058158	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K"	38.963158
"298662"	148.080217	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H+K"	39.970434
"693021"	212.127717	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H+K"	39.970434
"1451225"	84.032717	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+K"	39.970434
"248943"	298.223826	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+ACN+H"	42.033826
"1220192"	170.128826	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+ACN+H"	42.033826
"1196424"	85.568051	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+ACN+2H"	43.041102
"190629"	301.16116	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2Na-H"	44.97116
"633230"	429.25616	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2Na-H"	44.97116
"1137830"	173.06616	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2Na-H"	44.97116
"174805"	151.084218	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2Na"	45.978436
"617402"	215.131718	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2Na"	45.978436
"1120907"	87.036718	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2Na"	45.978436
"1405523"	58.3602373333333	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+2Na"	46.985712
"1438733"	175.107746	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+HCOOH"	47.012746
"221745"	156.11724	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+3H2O+2H"	56.04448
"1510295"	189.15979	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+IsoProp+H"	61.06479
"409127"	159.071188	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Na+K"	61.952376
"770733"	223.118688	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+Na+K"	61.952376
"1667063"	95.023688	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na+K"	61.952376
"252731"	320.205768	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+ACN+Na"	64.015768
"1228356"	192.110768	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+ACN+Na"	64.015768
"1713392"	192.134293	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+NH4+HCOOH"	64.039293
"1181512"	65.6875513333333	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+3Na"	68.967654
"1652498"	197.089688	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na+HCOOH"	68.994688
"158385"	333.10904	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2K-H"	76.91904
"599038"	461.20404	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2K-H"	76.91904
"1087808"	205.01404	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2K-H"	76.91904
"145718"	167.058158	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2K"	77.926316
"582359"	231.105658	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2K"	77.926316
"1076355"	103.010658	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2K"	77.926316
"1105191"	207.028592	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2K+H"	78.933592
"1343763"	207.116207	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+DMSO+H"	79.021207
"1013387"	211.155376	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2ACN+H"	83.060376
"1531511"	212.149008	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+IsoProp+Na+H"	84.054008
"1001243"	106.081326	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2ACN+2H"	84.067652
"1596836"	213.063628	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K+HCOOH"	84.968628
"1420310"	243.095138	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+CF3COOH"	115.000138
"1154972"	126.594601	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+3ACN+2H"	125.094202
"1702338"	260.121685	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+NH4+CF3COOH"	132.026685
"1643455"	265.07708	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na+CF3COOH"	136.98208
"1581299"	281.05102	"C02837"	"L-Lysine 16-lactam;L-2-Aminohexano-6-lactam;L-alpha-Aminocaprolactam;(S)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K+CF3COOH"	152.95602
"814948"	287.2097	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M"	0
"985200"	268.19131	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-H2O-H"	-19.01839
"67976"	190.465857333333	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M-3H"	-3.021828
"511911"	286.202424	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M-3H"	-3.021828
"893725"	94.7292906666667	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-3H"	-3.021828
"13758"	286.202424	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M-2H"	-2.014552
"448944"	429.807274	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M-2H"	-2.014552
"828571"	142.597574	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-2H"	-2.014552
"87835"	573.412124	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M-H"	-1.007276
"529217"	860.621824	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M-H"	-1.007276
"907384"	286.202424	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-H"	-1.007276
"55926"	590.438671	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M-2H+NH4"	16.019271
"494756"	877.648371	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M-2H+NH4"	16.019271
"870373"	303.228971	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-2H+NH4"	16.019271
"41554"	595.394066	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M-2H+Na"	20.974666
"480022"	882.603766	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M-2H+Na"	20.974666
"856730"	308.184366	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-2H+Na"	20.974666
"1627356"	308.184366	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Na-2H"	20.974666
"102790"	304.190763	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M-H+Cl"	33.962126
"540163"	447.795613	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M-H+Cl"	33.962126
"930399"	160.585913	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-H+Cl"	33.962126
"268223"	609.388802	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+Cl"	34.969402
"660067"	896.598502	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+Cl"	34.969402
"1272957"	322.179102	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Cl"	34.969402
"16078"	611.368006	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M-2H+K"	36.948606
"455894"	898.577706	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M-2H+K"	36.948606
"834423"	324.158306	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-2H+K"	36.948606
"1556090"	324.158306	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+K-2H"	36.948606
"943972"	332.207894	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-H+HCOOH"	44.998194
"362550"	619.417601	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+HCOOH-H"	44.998201
"349350"	633.433251	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+Hac-H"	59.013851
"1499642"	346.223551	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Hac-H"	59.013851
"960259"	354.189851	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-H+NaCOOH"	66.980151
"112813"	322.179102	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+2Cl"	69.938804
"550427"	465.783952	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+2Cl"	69.938804
"1022263"	178.574252	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2Cl"	69.938804
"1243302"	366.128585	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Br"	78.918885
"1307220"	368.184572	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Cl+HCOOH"	80.974872
"1326902"	390.166529	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Cl+NaCOOH"	102.956829
"919055"	400.195286	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M-H+CF3COOH"	112.985586
"1302690"	436.171964	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Cl+CF3COOH"	148.962264
"1372831"	252.197024	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H-2H2O"	-35.012676
"1397254"	270.207	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H-H2O"	-17.0027
"291107"	575.426676	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+H"	1.007276
"683529"	862.636376	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+H"	1.007276
"1357693"	288.216976	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H"	1.007276
"129489"	288.216976	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+2H"	2.014552
"566253"	431.821826	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+2H"	2.014552
"1038942"	144.612126	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2H"	2.014552
"205142"	192.480409333333	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+3H"	3.021828
"650780"	288.216976	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+3H"	3.021828
"1166718"	96.7438426666667	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+3H"	3.021828
"424316"	592.453223	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+NH4"	18.033823
"787702"	879.662923	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+NH4"	18.033823
"1685124"	305.243523	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+NH4"	18.033823
"331216"	296.7302495	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+H+NH4"	19.041099
"724000"	440.3350995	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+H+NH4"	19.041099
"1481830"	153.1253995	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H+NH4"	19.041099
"400510"	597.408618	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+Na"	22.989218
"754700"	884.618318	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+Na"	22.989218
"1605235"	310.198918	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Na"	22.989218
"318555"	299.207947	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+H+Na"	23.996494
"712070"	442.812797	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+H+Na"	23.996494
"1470263"	155.603097	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H+Na"	23.996494
"1056948"	104.071156666667	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2H+Na"	25.00377
"1261181"	320.243186	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+CH3OH+H"	33.033486
"379022"	613.382558	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+K"	38.963158
"741474"	900.592258	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+K"	38.963158
"1541341"	326.172858	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+K"	38.963158
"299366"	307.194917	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+H+K"	39.970434
"692406"	450.799767	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+H+K"	39.970434
"1451335"	163.590067	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H+K"	39.970434
"247592"	616.453226	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+ACN+H"	42.033826
"1218115"	329.243526	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+ACN+H"	42.033826
"1204914"	165.125401	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+ACN+2H"	43.041102
"190132"	619.39056	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+2Na-H"	44.97116
"632246"	906.60026	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+2Na-H"	44.97116
"1134658"	332.18086	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2Na-H"	44.97116
"181233"	310.198918	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+2Na"	45.978436
"620792"	453.803768	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+2Na"	45.978436
"1121018"	166.594068	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2Na"	45.978436
"1403448"	111.398470666667	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H+2Na"	46.985712
"1432281"	334.222446	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H+HCOOH"	47.012746
"221976"	315.23194	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+3H2O+2H"	56.04448
"1511135"	348.27449	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+IsoProp+H"	61.06479
"411551"	318.185888	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+Na+K"	61.952376
"772177"	461.790738	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+Na+K"	61.952376
"1667660"	174.581038	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Na+K"	61.952376
"252472"	638.435168	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+ACN+Na"	64.015768
"1226155"	351.225468	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+ACN+Na"	64.015768
"1719549"	351.248993	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+NH4+HCOOH"	64.039293
"1189277"	118.725784666667	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+3Na"	68.967654
"1655890"	356.204388	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Na+HCOOH"	68.994688
"162752"	651.33844	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+2K-H"	76.91904
"606687"	938.54814	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+2K-H"	76.91904
"1091199"	364.12874	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2K-H"	76.91904
"145828"	326.172858	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"2M+2K"	77.926316
"586485"	469.777708	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"3M+2K"	77.926316
"1076465"	182.568008	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2K"	77.926316
"1107489"	366.143292	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2K+H"	78.933592
"1344967"	366.230907	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+DMSO+H"	79.021207
"1012405"	370.270076	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2ACN+H"	83.060376
"1531622"	371.263708	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+IsoProp+Na+H"	84.054008
"998070"	185.638676	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+2ACN+2H"	84.067652
"1596948"	372.178328	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+K+HCOOH"	84.968628
"1422608"	402.209838	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+H+CF3COOH"	115.000138
"1152896"	206.151951	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+3ACN+2H"	125.094202
"1703541"	419.236385	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+NH4+CF3COOH"	132.026685
"1643565"	424.19178	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+Na+CF3COOH"	136.98208
"1581409"	440.16572	"C02838"	"L-Octanoylcarnitine"	"C15H29NO4"	"287.2097"	"M+K+CF3COOH"	152.95602
"810683"	72.0575	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M"	0
"982027"	53.03911	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-H2O-H"	-19.01839
"74651"	47.0310573333333	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M-3H"	-3.021828
"516398"	71.050224	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M-3H"	-3.021828
"887639"	23.0118906666667	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-3H"	-3.021828
"2933"	71.050224	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M-2H"	-2.014552
"449786"	107.078974	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M-2H"	-2.014552
"827951"	35.021474	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-2H"	-2.014552
"91225"	143.107724	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M-H"	-1.007276
"527506"	215.165224	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M-H"	-1.007276
"906034"	71.050224	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-H"	-1.007276
"55306"	160.134271	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M-2H+NH4"	16.019271
"492680"	232.191771	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M-2H+NH4"	16.019271
"869388"	88.076771	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-2H+NH4"	16.019271
"35101"	165.089666	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M-2H+Na"	20.974666
"479035"	237.147166	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M-2H+Na"	20.974666
"854651"	93.032166	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-2H+Na"	20.974666
"1625276"	93.032166	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Na-2H"	20.974666
"98529"	89.038563	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M-H+Cl"	33.962126
"538089"	125.067313	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M-H+Cl"	33.962126
"929418"	53.009813	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-H+Cl"	33.962126
"267970"	179.084402	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+Cl"	34.969402
"660512"	251.141902	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+Cl"	34.969402
"1272773"	107.026902	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Cl"	34.969402
"16156"	181.063606	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M-2H+K"	36.948606
"462566"	253.121106	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M-2H+K"	36.948606
"834533"	109.006106	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-2H+K"	36.948606
"1555909"	109.006106	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+K-2H"	36.948606
"946635"	117.055694	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-H+HCOOH"	44.998194
"361427"	189.113201	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+HCOOH-H"	44.998201
"346099"	203.128851	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+Hac-H"	59.013851
"1493313"	131.071351	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Hac-H"	59.013851
"959153"	139.037651	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-H+NaCOOH"	66.980151
"110049"	107.026902	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+2Cl"	69.938804
"550027"	143.055652	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+2Cl"	69.938804
"1029678"	70.998152	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2Cl"	69.938804
"1244517"	150.976385	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Br"	78.918885
"1305506"	153.032372	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Cl+HCOOH"	80.974872
"1329201"	175.014329	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Cl+NaCOOH"	102.956829
"919167"	185.043086	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M-H+CF3COOH"	112.985586
"1300249"	221.019764	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Cl+CF3COOH"	148.962264
"1379139"	37.044824	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H-2H2O"	-35.012676
"1392626"	55.0548	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H-H2O"	-17.0027
"285386"	145.122276	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+H"	1.007276
"675988"	217.179776	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+H"	1.007276
"1353431"	73.064776	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H"	1.007276
"127046"	73.064776	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+2H"	2.014552
"566362"	109.093526	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+2H"	2.014552
"1037230"	37.036026	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2H"	2.014552
"204518"	49.0456093333333	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+3H"	3.021828
"646513"	73.064776	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+3H"	3.021828
"1163909"	25.0264426666667	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+3H"	3.021828
"424993"	162.148823	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+NH4"	18.033823
"786716"	234.206323	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+NH4"	18.033823
"1685236"	90.091323	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+NH4"	18.033823
"330714"	81.5780495	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+H+NH4"	19.041099
"723256"	117.6067995	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+H+NH4"	19.041099
"1477283"	45.5492995	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H+NH4"	19.041099
"393211"	167.104218	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+Na"	22.989218
"759437"	239.161718	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+Na"	22.989218
"1610817"	95.046718	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Na"	22.989218
"321947"	84.055747	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+H+Na"	23.996494
"712180"	120.084497	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+H+Na"	23.996494
"1466001"	48.026997	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H+Na"	23.996494
"1053779"	32.3537566666667	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2H+Na"	25.00377
"1257645"	105.090986	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+CH3OH+H"	33.033486
"380953"	183.078158	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+K"	38.963158
"740863"	255.135658	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+K"	38.963158
"1544747"	111.020658	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+K"	38.963158
"308487"	92.042717	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+H+K"	39.970434
"699815"	128.071467	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+H+K"	39.970434
"1450353"	56.013967	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H+K"	39.970434
"237863"	186.148826	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+ACN+H"	42.033826
"1210815"	114.091326	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+ACN+H"	42.033826
"1195550"	57.549301	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+ACN+2H"	43.041102
"190611"	189.08616	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+2Na-H"	44.97116
"630536"	261.14366	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+2Na-H"	44.97116
"1135866"	117.02866	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2Na-H"	44.97116
"175508"	95.046718	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+2Na"	45.978436
"612893"	131.075468	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+2Na"	45.978436
"1117846"	59.017968	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2Na"	45.978436
"1404652"	39.6810706666667	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H+2Na"	46.985712
"1434580"	119.070246	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H+HCOOH"	47.012746
"223182"	100.07974	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+3H2O+2H"	56.04448
"1510149"	133.12229	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+IsoProp+H"	61.06479
"409106"	103.033688	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+Na+K"	61.952376
"770104"	139.062438	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+Na+K"	61.952376
"1667160"	67.004938	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Na+K"	61.952376
"254783"	208.130768	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+ACN+Na"	64.015768
"1227491"	136.073268	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+ACN+Na"	64.015768
"1716378"	136.096793	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+NH4+HCOOH"	64.039293
"1182825"	47.0083846666667	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+3Na"	68.967654
"1651991"	141.052188	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Na+HCOOH"	68.994688
"157760"	221.03404	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+2K-H"	76.91904
"605705"	293.09154	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+2K-H"	76.91904
"1088031"	148.97654	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2K-H"	76.91904
"145941"	111.020658	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"2M+2K"	77.926316
"583436"	147.049408	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"3M+2K"	77.926316
"1073295"	74.991908	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2K"	77.926316
"1104316"	150.991092	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2K+H"	78.933592
"1339606"	151.078707	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+DMSO+H"	79.021207
"1010327"	155.117876	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2ACN+H"	83.060376
"1532830"	156.111508	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+IsoProp+Na+H"	84.054008
"999275"	78.062576	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+2ACN+2H"	84.067652
"1593781"	157.026128	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+K+HCOOH"	84.968628
"1418347"	187.057638	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+H+CF3COOH"	115.000138
"1151918"	98.575851	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+3ACN+2H"	125.094202
"1702565"	204.084185	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+NH4+CF3COOH"	132.026685
"1646963"	209.03958	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+Na+CF3COOH"	136.98208
"1581520"	225.01352	"C02845"	"Methyl ethyl ketone;Ethyl methyl ketone;2-Butanone;Butan-2-one;MEK"	"C4H8O"	"72.0575"	"M+K+CF3COOH"	152.95602
"815897"	121.0891	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M"	0
"985418"	102.07071	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-H2O-H"	-19.01839
"76948"	79.7187906666667	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M-3H"	-3.021828
"515417"	120.081824	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M-3H"	-3.021828
"892124"	39.3557573333333	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-3H"	-3.021828
"10697"	120.081824	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H"	-2.014552
"449168"	180.626374	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H"	-2.014552
"828064"	59.537274	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H"	-2.014552
"93043"	241.170924	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M-H"	-1.007276
"533576"	362.260024	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M-H"	-1.007276
"905419"	120.081824	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-H"	-1.007276
"58700"	258.197471	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H+NH4"	16.019271
"496074"	379.286571	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H+NH4"	16.019271
"874969"	137.108371	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H+NH4"	16.019271
"46274"	263.152866	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H+Na"	20.974666
"485469"	384.241966	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H+Na"	20.974666
"863030"	142.063766	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H+Na"	20.974666
"1629764"	142.063766	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na-2H"	20.974666
"100826"	138.070163	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M-H+Cl"	33.962126
"539292"	198.614713	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M-H+Cl"	33.962126
"932443"	77.525613	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+Cl"	33.962126
"273914"	277.147602	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Cl"	34.969402
"663053"	398.236702	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+Cl"	34.969402
"1278372"	156.058502	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl"	34.969402
"18012"	279.126806	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H+K"	36.948606
"463041"	400.215906	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H+K"	36.948606
"839748"	158.037706	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H+K"	36.948606
"1560683"	158.037706	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+K-2H"	36.948606
"950389"	166.087294	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+HCOOH"	44.998194
"362772"	287.176401	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+HCOOH-H"	44.998201
"349938"	301.192051	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Hac-H"	59.013851
"1496584"	180.102951	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Hac-H"	59.013851
"962303"	188.069251	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+NaCOOH"	66.980151
"110845"	156.058502	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2Cl"	69.938804
"550649"	216.603052	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2Cl"	69.938804
"1027603"	95.513952	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2Cl"	69.938804
"1247179"	200.007985	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Br"	78.918885
"1310720"	202.063972	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl+HCOOH"	80.974872
"1330405"	224.045929	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl+NaCOOH"	102.956829
"924745"	234.074686	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+CF3COOH"	112.985586
"1303155"	270.051364	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl+CF3COOH"	148.962264
"1376332"	86.076424	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H-2H2O"	-35.012676
"1396015"	104.0864	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H-H2O"	-17.0027
"288051"	243.185476	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H"	1.007276
"679380"	364.274576	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H"	1.007276
"1355727"	122.096376	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H"	1.007276
"129710"	122.096376	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2H"	2.014552
"571457"	182.640926	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2H"	2.014552
"1042444"	61.551826	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2H"	2.014552
"208157"	81.7333426666667	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+3H"	3.021828
"653183"	122.096376	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+3H"	3.021828
"1166204"	41.3703093333333	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+3H"	3.021828
"431300"	260.212023	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+NH4"	18.033823
"790107"	381.301123	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+NH4"	18.033823
"1687532"	139.122923	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+NH4"	18.033823
"337998"	130.6096495	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H+NH4"	19.041099
"727137"	191.1541995	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H+NH4"	19.041099
"1479864"	70.0650995	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+NH4"	19.041099
"395270"	265.167418	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Na"	22.989218
"763921"	386.256518	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+Na"	22.989218
"1615300"	144.078318	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na"	22.989218
"324244"	133.087347	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H+Na"	23.996494
"714478"	193.631897	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H+Na"	23.996494
"1465382"	72.542797	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+Na"	23.996494
"1056804"	48.6976233333333	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2H+Na"	25.00377
"1260308"	154.122586	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+CH3OH+H"	33.033486
"380701"	281.141358	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+K"	38.963158
"742797"	402.230458	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+K"	38.963158
"1543764"	160.052258	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+K"	38.963158
"305319"	141.074317	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H+K"	39.970434
"699926"	201.618867	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H+K"	39.970434
"1452650"	80.529767	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+K"	39.970434
"239066"	284.212026	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+ACN+H"	42.033826
"1212872"	163.122926	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+ACN+H"	42.033826
"1197117"	82.065101	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+ACN+2H"	43.041102
"197283"	287.14936	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2Na-H"	44.97116
"633563"	408.23846	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2Na-H"	44.97116
"1137069"	166.06026	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2Na-H"	44.97116
"177078"	144.078318	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2Na"	45.978436
"614817"	204.622868	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2Na"	45.978436
"1124518"	83.533768	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2Na"	45.978436
"1405855"	56.0249373333333	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+2Na"	46.985712
"1436878"	168.101846	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+HCOOH"	47.012746
"223656"	149.11134	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+3H2O+2H"	56.04448
"1516822"	182.15389	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+IsoProp+H"	61.06479
"411406"	152.065288	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Na+K"	61.952376
"771066"	212.609838	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+Na+K"	61.952376
"1667273"	91.520738	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na+K"	61.952376
"255260"	306.193968	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+ACN+Na"	64.015768
"1229789"	185.104868	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+ACN+Na"	64.015768
"1715395"	185.128393	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+NH4+HCOOH"	64.039293
"1183302"	63.3522513333333	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+3Na"	68.967654
"1652101"	190.083788	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na+HCOOH"	68.994688
"162972"	319.09724	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2K-H"	76.91904
"600347"	440.18634	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2K-H"	76.91904
"1085219"	198.00814	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2K-H"	76.91904
"142764"	160.052258	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2K"	77.926316
"582082"	220.596808	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2K"	77.926316
"1069877"	99.507708	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2K"	77.926316
"1101267"	200.022692	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2K+H"	78.933592
"1340811"	200.110307	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+DMSO+H"	79.021207
"1010434"	204.149476	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2ACN+H"	83.060376
"1531839"	205.143108	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+IsoProp+Na+H"	84.054008
"995009"	102.578376	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+2ACN+2H"	84.067652
"1594980"	206.057728	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+K+HCOOH"	84.968628
"1418456"	236.089238	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+CF3COOH"	115.000138
"1152025"	123.091651	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+3ACN+2H"	125.094202
"1707050"	253.115785	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+NH4+CF3COOH"	132.026685
"1648168"	258.07118	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na+CF3COOH"	136.98208
"1581630"	274.04512	"C02846"	"NN-Dimethylaniline;Dimethylaminobenzene;NN-Dimethylbenzenamine"	"C8H11N"	"121.0891"	"M+K+CF3COOH"	152.95602
"811999"	207.1107	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M"	0
"988814"	188.09231	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-H2O-H"	-19.01839
"77788"	137.066524	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M-3H"	-3.021828
"514430"	206.103424	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M-3H"	-3.021828
"893326"	68.029624	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-3H"	-3.021828
"12993"	206.103424	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M-2H"	-2.014552
"449276"	309.658774	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M-2H"	-2.014552
"828172"	102.548074	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-2H"	-2.014552
"89258"	413.214124	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M-H"	-1.007276
"531980"	620.324824	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M-H"	-1.007276
"907718"	206.103424	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-H"	-1.007276
"60030"	430.240671	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M-2H+NH4"	16.019271
"500927"	637.351371	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M-2H+NH4"	16.019271
"878487"	223.129971	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-2H+NH4"	16.019271
"45290"	435.196066	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M-2H+Na"	20.974666
"479258"	642.306766	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M-2H+Na"	20.974666
"855968"	228.085366	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-2H+Na"	20.974666
"1623314"	228.085366	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Na-2H"	20.974666
"103124"	224.091763	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M-H+Cl"	33.962126
"543779"	327.647113	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M-H+Cl"	33.962126
"937293"	120.536413	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-H+Cl"	33.962126
"273297"	449.190802	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+Cl"	34.969402
"664623"	656.301502	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+Cl"	34.969402
"1278119"	242.080102	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Cl"	34.969402
"20310"	451.170006	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M-2H+K"	36.948606
"456707"	658.280706	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M-2H+K"	36.948606
"836578"	244.059306	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-2H+K"	36.948606
"1558607"	244.059306	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+K-2H"	36.948606
"946491"	252.108894	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-H+HCOOH"	44.998194
"365437"	459.219601	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+HCOOH-H"	44.998201
"348591"	473.235251	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+Hac-H"	59.013851
"1497787"	266.124551	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Hac-H"	59.013851
"967166"	274.090851	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-H+NaCOOH"	66.980151
"124338"	242.080102	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+2Cl"	69.938804
"564020"	345.635452	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+2Cl"	69.938804
"1032088"	138.524752	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2Cl"	69.938804
"1250571"	286.029585	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Br"	78.918885
"1317395"	288.085572	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Cl+HCOOH"	80.974872
"1334649"	310.067529	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Cl+NaCOOH"	102.956829
"919387"	320.096286	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M-H+CF3COOH"	112.985586
"1292455"	356.072964	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Cl+CF3COOH"	148.962264
"1373168"	172.098024	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H-2H2O"	-35.012676
"1388475"	190.108	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H-H2O"	-17.0027
"284885"	415.228676	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+H"	1.007276
"680585"	622.339376	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+H"	1.007276
"1356203"	208.117976	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H"	1.007276
"129092"	208.117976	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+2H"	2.014552
"569381"	311.673326	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+2H"	2.014552
"1042554"	104.562626	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2H"	2.014552
"209360"	139.081076	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+3H"	3.021828
"653293"	208.117976	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+3H"	3.021828
"1170324"	70.044176	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+3H"	3.021828
"431411"	432.255223	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+NH4"	18.033823
"794592"	639.365923	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+NH4"	18.033823
"1692015"	225.144523	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+NH4"	18.033823
"340301"	216.6312495	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+H+NH4"	19.041099
"733816"	320.1865995	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+H+NH4"	19.041099
"1489822"	113.0758995	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H+NH4"	19.041099
"399754"	437.210618	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+Na"	22.989218
"758562"	644.321318	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+Na"	22.989218
"1607760"	230.099918	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Na"	22.989218
"319982"	219.108947	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+H+Na"	23.996494
"712400"	322.664297	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+H+Na"	23.996494
"1466219"	115.553597	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H+Na"	23.996494
"1054487"	77.37149	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2H+Na"	25.00377
"1260060"	240.144186	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+CH3OH+H"	33.033486
"378268"	453.184558	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+K"	38.963158
"748385"	660.295258	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+K"	38.963158
"1547157"	246.073858	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+K"	38.963158
"304331"	227.095917	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+H+K"	39.970434
"698944"	330.651267	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+H+K"	39.970434
"1452764"	123.540567	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H+K"	39.970434
"243556"	456.255226	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+ACN+H"	42.033826
"1219545"	249.144526	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+ACN+H"	42.033826
"1201244"	125.075901	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+ACN+2H"	43.041102
"190106"	459.19256	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+2Na-H"	44.97116
"630757"	666.30326	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+2Na-H"	44.97116
"1134259"	252.08186	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2Na-H"	44.97116
"175364"	230.099918	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+2Na"	45.978436
"615653"	333.655268	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+2Na"	45.978436
"1119159"	126.544568	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2Na"	45.978436
"1400129"	84.698804	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H+2Na"	46.985712
"1431880"	254.123446	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H+HCOOH"	47.012746
"222307"	235.13294	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+3H2O+2H"	56.04448
"1510736"	268.17549	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+IsoProp+H"	61.06479
"411149"	238.086888	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+Na+K"	61.952376
"772148"	341.642238	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+Na+K"	61.952376
"1667024"	134.531538	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Na+K"	61.952376
"253908"	478.237168	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+ACN+Na"	64.015768
"1232086"	271.126468	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+ACN+Na"	64.015768
"1717693"	271.149993	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+NH4+HCOOH"	64.039293
"1185966"	92.026118	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+3Na"	68.967654
"1655127"	276.105388	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Na+HCOOH"	68.994688
"162353"	491.14044	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+2K-H"	76.91904
"600456"	698.25114	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+2K-H"	76.91904
"1088248"	284.02974	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2K-H"	76.91904
"142998"	246.073858	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"2M+2K"	77.926316
"582558"	349.629208	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"3M+2K"	77.926316
"1074606"	142.518508	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2K"	77.926316
"1107816"	286.044292	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2K+H"	78.933592
"1339826"	286.131907	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+DMSO+H"	79.021207
"1011643"	290.171076	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2ACN+H"	83.060376
"1526851"	291.164708	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+IsoProp+Na+H"	84.054008
"995125"	145.589176	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+2ACN+2H"	84.067652
"1587066"	292.079328	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+K+HCOOH"	84.968628
"1414473"	322.110838	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+H+CF3COOH"	115.000138
"1147272"	166.102451	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+3ACN+2H"	125.094202
"1697558"	339.137385	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+NH4+CF3COOH"	132.026685
"1640622"	344.09278	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+Na+CF3COOH"	136.98208
"1572263"	360.06672	"C02852"	"N-Ethylglycocyamine"	"C8H17NO5"	"207.1107"	"M+K+CF3COOH"	152.95602
"812110"	125.0477	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M"	0
"986736"	106.02931	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-H2O-H"	-19.01839
"77167"	82.3578573333333	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M-3H"	-3.021828
"515636"	124.040424	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M-3H"	-3.021828
"894532"	40.6752906666667	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-3H"	-3.021828
"13109"	124.040424	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M-2H"	-2.014552
"452669"	186.564274	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M-2H"	-2.014552
"827189"	61.516574	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-2H"	-2.014552
"89368"	249.088124	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M-H"	-1.007276
"532210"	374.135824	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M-H"	-1.007276
"911153"	124.040424	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-H"	-1.007276
"62408"	266.114671	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M-2H+NH4"	16.019271
"500668"	391.162371	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M-2H+NH4"	16.019271
"873002"	141.066971	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-2H+NH4"	16.019271
"37621"	271.070066	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M-2H+Na"	20.974666
"480462"	396.117766	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M-2H+Na"	20.974666
"859359"	146.022366	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-2H+Na"	20.974666
"1625612"	146.022366	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Na-2H"	20.974666
"103234"	142.028763	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M-H+Cl"	33.962126
"540608"	204.552613	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M-H+Cl"	33.962126
"930839"	79.504913	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-H+Cl"	33.962126
"273043"	285.064802	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+Cl"	34.969402
"663641"	410.112502	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+Cl"	34.969402
"1276407"	160.017102	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Cl"	34.969402
"20056"	287.044006	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M-2H+K"	36.948606
"458886"	412.091706	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M-2H+K"	36.948606
"835229"	161.996306	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-2H+K"	36.948606
"1557261"	161.996306	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+K-2H"	36.948606
"944784"	170.045894	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-H+HCOOH"	44.998194
"364822"	295.093601	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+HCOOH-H"	44.998201
"346516"	309.109251	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+Hac-H"	59.013851
"1506300"	184.061551	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Hac-H"	59.013851
"972749"	192.027851	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-H+NaCOOH"	66.980151
"125308"	160.017102	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+2Cl"	69.938804
"564129"	222.540952	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+2Cl"	69.938804
"1031103"	97.493252	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2Cl"	69.938804
"1248495"	203.966585	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Br"	78.918885
"1306569"	206.022572	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Cl+HCOOH"	80.974872
"1329534"	228.004529	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Cl+NaCOOH"	102.956829
"920598"	238.033286	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M-H+CF3COOH"	112.985586
"1292932"	274.009964	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Cl+CF3COOH"	148.962264
"1374372"	90.035024	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H-2H2O"	-35.012676
"1395152"	108.045	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H-H2O"	-17.0027
"287183"	251.102676	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+H"	1.007276
"683977"	376.150376	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+H"	1.007276
"1357044"	126.054976	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H"	1.007276
"135400"	126.054976	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+2H"	2.014552
"574960"	188.578826	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+2H"	2.014552
"1042666"	63.531126	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2H"	2.014552
"209473"	84.3724093333333	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+3H"	3.021828
"647209"	126.054976	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+3H"	3.021828
"1167155"	42.6898426666667	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+3H"	3.021828
"429335"	268.129223	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+NH4"	18.033823
"796888"	393.176923	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+NH4"	18.033823
"1685573"	143.081523	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+NH4"	18.033823
"338224"	134.5682495	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+H+NH4"	19.041099
"731739"	197.0920995	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+H+NH4"	19.041099
"1488839"	72.0443995	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H+NH4"	19.041099
"398771"	273.084618	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+Na"	22.989218
"759770"	398.132318	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+Na"	22.989218
"1607140"	148.036918	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Na"	22.989218
"318998"	137.045947	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+H+Na"	23.996494
"708503"	199.569797	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+H+Na"	23.996494
"1464878"	74.522097	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H+Na"	23.996494
"1060681"	50.0171566666667	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2H+Na"	25.00377
"1263454"	158.081186	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+CH3OH+H"	33.033486
"385314"	289.058558	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+K"	38.963158
"746310"	414.106258	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+K"	38.963158
"1548362"	164.010858	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+K"	38.963158
"306631"	145.032917	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+H+K"	39.970434
"701243"	207.556767	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+H+K"	39.970434
"1450687"	82.509067	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H+K"	39.970434
"240384"	292.129226	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+ACN+H"	42.033826
"1218564"	167.081526	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+ACN+H"	42.033826
"1197709"	84.044401	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+ACN+2H"	43.041102
"195320"	295.06656	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+2Na-H"	44.97116
"635974"	420.11426	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+2Na-H"	44.97116
"1139479"	170.01886	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2Na-H"	44.97116
"181675"	148.036918	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+2Na"	45.978436
"619412"	210.560768	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+2Na"	45.978436
"1119634"	85.513068	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2Na"	45.978436
"1401701"	57.3444706666667	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H+2Na"	46.985712
"1431990"	172.060446	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H+HCOOH"	47.012746
"221446"	153.06994	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+3H2O+2H"	56.04448
"1509753"	186.11249	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+IsoProp+H"	61.06479
"408833"	156.023888	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+Na+K"	61.952376
"774087"	218.547738	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+Na+K"	61.952376
"1670052"	93.500038	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Na+K"	61.952376
"256934"	314.111168	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+ACN+Na"	64.015768
"1232196"	189.063468	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+ACN+Na"	64.015768
"1718165"	189.086993	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+NH4+HCOOH"	64.039293
"1183158"	64.6717846666667	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+3Na"	68.967654
"1657424"	194.042388	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Na+HCOOH"	68.994688
"162099"	327.01444	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+2K-H"	76.91904
"601661"	452.06214	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+2K-H"	76.91904
"1085809"	201.96674	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2K-H"	76.91904
"145175"	164.010858	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"2M+2K"	77.926316
"583643"	226.534708	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"3M+2K"	77.926316
"1072529"	101.487008	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2K"	77.926316
"1105739"	203.981292	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2K+H"	78.933592
"1341035"	204.068907	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+DMSO+H"	79.021207
"1013939"	208.108076	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2ACN+H"	83.060376
"1530971"	209.101708	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+IsoProp+Na+H"	84.054008
"993046"	104.557676	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+2ACN+2H"	84.067652
"1590099"	210.016328	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+K+HCOOH"	84.968628
"1419771"	240.047838	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+H+CF3COOH"	115.000138
"1149332"	125.070951	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+3ACN+2H"	125.094202
"1700706"	257.074385	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+NH4+CF3COOH"	132.026685
"1634777"	262.02978	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+Na+CF3COOH"	136.98208
"1581855"	278.00372	"C02854"	"N-Furfurylformamide"	"C6H7NO2"	"125.0477"	"M+K+CF3COOH"	152.95602
"814409"	350.0393	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M"	0
"986846"	331.02091	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H2O-H"	-19.01839
"73997"	232.352257333333	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-3H"	-3.021828
"515745"	349.032024	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-3H"	-3.021828
"891359"	115.672490666667	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-3H"	-3.021828
"7752"	349.032024	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H"	-2.014552
"447311"	524.051674	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H"	-2.014552
"825112"	174.012374	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H"	-2.014552
"91665"	699.071324	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-H"	-1.007276
"532199"	1049.110624	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-H"	-1.007276
"910125"	349.032024	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H"	-1.007276
"62314"	716.097871	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H+NH4"	16.019271
"498591"	1066.137171	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H+NH4"	16.019271
"874205"	366.058571	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H+NH4"	16.019271
"38823"	721.053266	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H+Na"	20.974666
"481665"	1071.092566	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H+Na"	20.974666
"859469"	371.013966	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H+Na"	20.974666
"1623898"	371.013966	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na-2H"	20.974666
"104436"	367.020363	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-H+Cl"	33.962126
"545091"	542.040013	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-H+Cl"	33.962126
"935325"	192.000713	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+Cl"	33.962126
"272789"	735.048002	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Cl"	34.969402
"669583"	1085.087302	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+Cl"	34.969402
"1276520"	385.008702	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl"	34.969402
"20169"	737.027206	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H+K"	36.948606
"465194"	1087.066506	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H+K"	36.948606
"837529"	386.987906	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H+K"	36.948606
"1556642"	386.987906	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K-2H"	36.948606
"945258"	395.037494	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+HCOOH"	44.998194
"367119"	745.076801	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+HCOOH-H"	44.998201
"347721"	759.092451	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Hac-H"	59.013851
"1506409"	409.053151	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Hac-H"	59.013851
"974137"	417.019451	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+NaCOOH"	66.980151
"125539"	385.008702	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2Cl"	69.938804
"564239"	560.028352	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2Cl"	69.938804
"1033400"	209.989052	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2Cl"	69.938804
"1249698"	428.958185	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Br"	78.918885
"1309959"	431.014172	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl+HCOOH"	80.974872
"1331831"	452.996129	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl+NaCOOH"	102.956829
"919615"	463.024886	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+CF3COOH"	112.985586
"1293042"	499.001564	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl+CF3COOH"	148.962264
"1374482"	315.026624	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H-2H2O"	-35.012676
"1394169"	333.0366	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H-H2O"	-17.0027
"287293"	701.085876	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H"	1.007276
"684087"	1051.125176	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H"	1.007276
"1357154"	351.046576	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H"	1.007276
"135510"	351.046576	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2H"	2.014552
"573977"	526.066226	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2H"	2.014552
"1040953"	176.026926	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2H"	2.014552
"207760"	234.366809333333	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+3H"	3.021828
"649141"	351.046576	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+3H"	3.021828
"1167266"	117.687042666667	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+3H"	3.021828
"431632"	718.112423	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+NH4"	18.033823
"793718"	1068.151723	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+NH4"	18.033823
"1687869"	368.073123	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+NH4"	18.033823
"338334"	359.5598495	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H+NH4"	19.041099
"730755"	534.5794995	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H+NH4"	19.041099
"1486762"	184.5401995	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+NH4"	19.041099
"399974"	723.067818	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Na"	22.989218
"760974"	1073.107118	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+Na"	22.989218
"1607978"	373.028518	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na"	22.989218
"320201"	362.037547	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H+Na"	23.996494
"711164"	537.057197	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H+Na"	23.996494
"1463895"	187.017897	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+Na"	23.996494
"1059699"	125.014356666667	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2H+Na"	25.00377
"1263564"	383.072786	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+CH3OH+H"	33.033486
"385424"	739.041758	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+K"	38.963158
"748607"	1089.081058	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+K"	38.963158
"1547379"	389.002458	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K"	38.963158
"305648"	370.024517	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H+K"	39.970434
"699167"	545.044167	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H+K"	39.970434
"1454077"	195.004867	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+K"	39.970434
"241588"	742.112426	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+ACN+H"	42.033826
"1218674"	392.073126	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+ACN+H"	42.033826
"1199643"	196.540201	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+ACN+2H"	43.041102
"195430"	745.04976	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2Na-H"	44.97116
"639363"	1095.08906	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2Na-H"	44.97116
"1136309"	395.01046	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2Na-H"	44.97116
"186159"	373.028518	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2Na"	45.978436
"622438"	548.048168	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2Na"	45.978436
"1118652"	198.008868	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2Na"	45.978436
"1402177"	132.341670666667	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+2Na"	46.985712
"1431497"	397.052046	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+HCOOH"	47.012746
"221313"	378.06154	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+3H2O+2H"	56.04448
"1509135"	411.10409	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+IsoProp+H"	61.06479
"408612"	381.015488	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Na+K"	61.952376
"770042"	556.035138	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+Na+K"	61.952376
"1670161"	205.995838	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na+K"	61.952376
"253033"	764.094368	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+ACN+Na"	64.015768
"1231210"	414.055068	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+ACN+Na"	64.015768
"1718275"	414.078593	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+NH4+HCOOH"	64.039293
"1183268"	139.668984666667	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+3Na"	68.967654
"1653887"	419.033988	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na+HCOOH"	68.994688
"162209"	776.99764	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2K-H"	76.91904
"600677"	1127.03694	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2K-H"	76.91904
"1086648"	426.95834	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2K-H"	76.91904
"143099"	389.002458	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2K"	77.926316
"583753"	564.022108	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2K"	77.926316
"1072639"	213.982808	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2K"	77.926316
"1105849"	428.972892	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2K+H"	78.933592
"1341145"	429.060507	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+DMSO+H"	79.021207
"1014049"	433.099676	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2ACN+H"	83.060376
"1526706"	434.093308	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+IsoProp+Na+H"	84.054008
"995343"	217.053476	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2ACN+2H"	84.067652
"1590939"	435.007928	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K+HCOOH"	84.968628
"1418788"	465.039438	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+CF3COOH"	115.000138
"1152358"	237.566751	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+3ACN+2H"	125.094202
"1699723"	482.065985	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+NH4+CF3COOH"	132.026685
"1634645"	487.02138	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na+CF3COOH"	136.98208
"1581965"	502.99532	"C02855"	"N-Phospho-D-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K+CF3COOH"	152.95602
"812330"	581.2908	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M"	0
"984769"	562.27241	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-H2O-H"	-19.01839
"75200"	386.519924	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M-3H"	-3.021828
"515855"	580.283524	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M-3H"	-3.021828
"891469"	192.756324	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-3H"	-3.021828
"7862"	580.283524	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M-2H"	-2.014552
"445235"	870.928924	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M-2H"	-2.014552
"827409"	289.638124	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-2H"	-2.014552
"89588"	1161.574324	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M-H"	-1.007276
"530244"	1742.865124	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M-H"	-1.007276
"908047"	580.283524	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-H"	-1.007276
"59141"	1178.600871	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M-2H+NH4"	16.019271
"497608"	1759.891671	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M-2H+NH4"	16.019271
"874315"	597.310071	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-2H+NH4"	16.019271
"40027"	1183.556266	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M-2H+Na"	20.974666
"476306"	1764.847066	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M-2H+Na"	20.974666
"854112"	602.265466	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-2H+Na"	20.974666
"1623278"	602.265466	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Na-2H"	20.974666
"98350"	598.271863	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M-H+Cl"	33.962126
"541921"	888.917263	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M-H+Cl"	33.962126
"932519"	307.626463	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-H+Cl"	33.962126
"270347"	1197.551002	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+Cl"	34.969402
"666413"	1778.841802	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+Cl"	34.969402
"1276630"	616.260202	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Cl"	34.969402
"20276"	1199.530206	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M-2H+K"	36.948606
"463117"	1780.821006	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M-2H+K"	36.948606
"837639"	618.239406	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-2H+K"	36.948606
"1558940"	618.239406	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+K-2H"	36.948606
"944268"	626.288994	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-H+HCOOH"	44.998194
"362490"	1207.579801	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+HCOOH-H"	44.998201
"346738"	1221.595451	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+Hac-H"	59.013851
"1502142"	640.304651	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Hac-H"	59.013851
"971873"	648.270951	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-H+NaCOOH"	66.980151
"124307"	616.260202	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+2Cl"	69.938804
"563618"	906.905602	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+2Cl"	69.938804
"1030230"	325.614802	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2Cl"	69.938804
"1248715"	660.209685	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Br"	78.918885
"1310069"	662.265672	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Cl+HCOOH"	80.974872
"1328661"	684.247629	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Cl+NaCOOH"	102.956829
"921911"	694.276386	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M-H+CF3COOH"	112.985586
"1294245"	730.253064	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Cl+CF3COOH"	148.962264
"1373499"	546.278124	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H-2H2O"	-35.012676
"1395372"	564.2881	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H-H2O"	-17.0027
"287403"	1163.588876	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+H"	1.007276
"684197"	1744.879676	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+H"	1.007276
"1355078"	582.298076	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H"	1.007276
"134527"	582.298076	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+2H"	2.014552
"574087"	872.943476	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+2H"	2.014552
"1039970"	291.652676	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2H"	2.014552
"207506"	388.534476	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+3H"	3.021828
"651438"	582.298076	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+3H"	3.021828
"1169563"	194.770876	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+3H"	3.021828
"430648"	1180.615423	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+NH4"	18.033823
"793828"	1761.906223	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+NH4"	18.033823
"1687979"	599.324623	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+NH4"	18.033823
"338444"	590.8113495	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+H+NH4"	19.041099
"733052"	881.4567495	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+H+NH4"	19.041099
"1485779"	300.1659495	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H+NH4"	19.041099
"400084"	1185.570818	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+Na"	22.989218
"759990"	1766.861618	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+Na"	22.989218
"1608088"	604.280018	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Na"	22.989218
"318123"	593.289047	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+H+Na"	23.996494
"711639"	883.934447	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+H+Na"	23.996494
"1465462"	302.643647	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H+Na"	23.996494
"1059809"	202.09819	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2H+Na"	25.00377
"1262581"	614.324286	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+CH3OH+H"	33.033486
"383348"	1201.544758	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+K"	38.963158
"746531"	1782.835558	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+K"	38.963158
"1547489"	620.253958	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+K"	38.963158
"307944"	601.276017	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+H+K"	39.970434
"701463"	891.921417	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+H+K"	39.970434
"1455281"	310.630617	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H+K"	39.970434
"240605"	1204.615426	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+ACN+H"	42.033826
"1218784"	623.324626	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+ACN+H"	42.033826
"1200482"	312.165951	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+ACN+2H"	43.041102
"197727"	1207.55276	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+2Na-H"	44.97116
"638380"	1788.84356	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+2Na-H"	44.97116
"1138606"	626.26196	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2Na-H"	44.97116
"184082"	604.280018	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+2Na"	45.978436
"621455"	894.925418	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+2Na"	45.978436
"1118034"	313.634618	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2Na"	45.978436
"1403015"	209.425504	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H+2Na"	46.985712
"1432943"	628.303546	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H+HCOOH"	47.012746
"222634"	609.31304	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+3H2O+2H"	56.04448
"1509485"	642.35559	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+IsoProp+H"	61.06479
"412214"	612.266988	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+Na+K"	61.952376
"771021"	902.912388	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+Na+K"	61.952376
"1666988"	321.621588	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Na+K"	61.952376
"253144"	1226.597368	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+ACN+Na"	64.015768
"1227675"	645.306568	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+ACN+Na"	64.015768
"1715104"	645.330093	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+NH4+HCOOH"	64.039293
"1180825"	216.752818	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+3Na"	68.967654
"1651081"	650.285488	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Na+HCOOH"	68.994688
"159401"	1239.50064	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+2K-H"	76.91904
"597293"	1820.79144	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+2K-H"	76.91904
"1086755"	658.20984	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2K-H"	76.91904
"143572"	620.253958	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"2M+2K"	77.926316
"582402"	910.899358	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"3M+2K"	77.926316
"1072750"	329.608558	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2K"	77.926316
"1103773"	660.224392	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2K+H"	78.933592
"1340162"	660.312007	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+DMSO+H"	79.021207
"1014159"	664.351176	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2ACN+H"	83.060376
"1526815"	665.344808	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+IsoProp+Na+H"	84.054008
"995453"	332.679226	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+2ACN+2H"	84.067652
"1589956"	666.259428	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+K+HCOOH"	84.968628
"1418898"	696.290938	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+H+CF3COOH"	115.000138
"1152468"	353.192501	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+3ACN+2H"	125.094202
"1699833"	713.317485	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+NH4+CF3COOH"	132.026685
"1634633"	718.27288	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+Na+CF3COOH"	136.98208
"1582075"	734.24682	"C02856"	"N3-Acetylapramycin"	"C23H43N5O12"	"581.2908"	"M+K+CF3COOH"	152.95602
"812443"	231.1471	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M"	0
"982695"	212.12871	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-H2O-H"	-19.01839
"64380"	153.090790666667	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M-3H"	-3.021828
"506125"	230.139824	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M-3H"	-3.021828
"882833"	76.0417573333333	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-3H"	-3.021828
"9065"	230.139824	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M-2H"	-2.014552
"448625"	345.713374	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M-2H"	-2.014552
"824239"	114.566274	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-2H"	-2.014552
"87510"	461.286924	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M-H"	-1.007276
"530352"	692.434024	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M-H"	-1.007276
"908032"	230.139824	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-H"	-1.007276
"53785"	478.313471	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M-2H+NH4"	16.019271
"499542"	709.460571	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M-2H+NH4"	16.019271
"869325"	247.166371	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-2H+NH4"	16.019271
"39048"	483.268866	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M-2H+Na"	20.974666
"480796"	714.415966	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M-2H+Na"	20.974666
"859691"	252.121766	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-2H+Na"	20.974666
"1621567"	252.121766	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Na-2H"	20.974666
"97729"	248.128163	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M-H+Cl"	33.962126
"540205"	363.701713	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M-H+Cl"	33.962126
"931898"	132.554613	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-H+Cl"	33.962126
"269726"	497.263602	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+Cl"	34.969402
"662515"	728.410702	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+Cl"	34.969402
"1273703"	266.116502	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Cl"	34.969402
"19663"	499.242806	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M-2H+K"	36.948606
"457766"	730.389906	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M-2H+K"	36.948606
"836664"	268.095706	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-2H+K"	36.948606
"1559058"	268.095706	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+K-2H"	36.948606
"944757"	276.145294	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-H+HCOOH"	44.998194
"365158"	507.292401	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+HCOOH-H"	44.998201
"346041"	521.308051	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+Hac-H"	59.013851
"1493249"	290.160951	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Hac-H"	59.013851
"968699"	298.127251	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-H+NaCOOH"	66.980151
"120888"	266.116502	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+2Cl"	69.938804
"554980"	381.690052	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+2Cl"	69.938804
"1030347"	150.542952	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2Cl"	69.938804
"1246647"	310.065985	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Br"	78.918885
"1311281"	312.121972	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Cl+HCOOH"	80.974872
"1327683"	334.103929	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Cl+NaCOOH"	102.956829
"920930"	344.132686	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M-H+CF3COOH"	112.985586
"1296544"	380.109364	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Cl+CF3COOH"	148.962264
"1370330"	196.134424	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H-2H2O"	-35.012676
"1385638"	214.1444	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H-H2O"	-17.0027
"286417"	463.301476	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+H"	1.007276
"684309"	694.448576	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+H"	1.007276
"1356282"	232.154376	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H"	1.007276
"133544"	232.154376	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+2H"	2.014552
"569821"	347.727926	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+2H"	2.014552
"1047369"	116.580826	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2H"	2.014552
"211989"	155.105342666667	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+3H"	3.021828
"652641"	232.154376	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+3H"	3.021828
"1174053"	78.0563093333333	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+3H"	3.021828
"435138"	480.328023	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+NH4"	18.033823
"793945"	711.475123	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+NH4"	18.033823
"1688090"	249.180923	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+NH4"	18.033823
"333814"	240.6676495	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+H+NH4"	19.041099
"725508"	356.2411995	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+H+NH4"	19.041099
"1482613"	125.0940995	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H+NH4"	19.041099
"396188"	485.283418	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+Na"	22.989218
"757914"	716.430518	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+Na"	22.989218
"1604189"	254.136318	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Na"	22.989218
"322617"	243.145347	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+H+Na"	23.996494
"712851"	358.718897	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+H+Na"	23.996494
"1468872"	127.571797	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H+Na"	23.996494
"1059930"	85.3836233333333	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2H+Na"	25.00377
"1263794"	264.180586	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+CH3OH+H"	33.033486
"384556"	501.257358	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+K"	38.963158
"743362"	732.404458	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+K"	38.963158
"1545418"	270.110258	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+K"	38.963158
"303689"	251.132317	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+H+K"	39.970434
"692834"	366.705867	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+H+K"	39.970434
"1445637"	135.558767	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H+K"	39.970434
"235794"	504.328026	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+ACN+H"	42.033826
"1209938"	273.180926	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+ACN+H"	42.033826
"1195118"	137.094101	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+ACN+2H"	43.041102
"189454"	507.26536	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+2Na-H"	44.97116
"629375"	738.41246	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+2Na-H"	44.97116
"1133972"	276.11826	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2Na-H"	44.97116
"175442"	254.136318	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+2Na"	45.978436
"615728"	369.709868	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+2Na"	45.978436
"1118139"	138.562768	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2Na"	45.978436
"1400211"	92.7109373333333	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H+2Na"	46.985712
"1431118"	278.159846	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H+HCOOH"	47.012746
"222028"	259.16934	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+3H2O+2H"	56.04448
"1511545"	292.21189	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+IsoProp+H"	61.06479
"410500"	262.123288	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+Na+K"	61.952376
"772229"	377.696838	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+Na+K"	61.952376
"1668557"	146.549738	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Na+K"	61.952376
"253255"	526.309968	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+ACN+Na"	64.015768
"1231438"	295.162868	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+ACN+Na"	64.015768
"1718137"	295.186393	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+NH4+HCOOH"	64.039293
"1179478"	100.038251333333	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+3Na"	68.967654
"1652289"	300.141788	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Na+HCOOH"	68.994688
"158423"	539.21324	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+2K-H"	76.91904
"598343"	770.36034	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+2K-H"	76.91904
"1087600"	308.06614	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2K-H"	76.91904
"144416"	270.110258	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"2M+2K"	77.926316
"585069"	385.683808	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"3M+2K"	77.926316
"1069947"	154.536708	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2K"	77.926316
"1107168"	310.080692	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2K+H"	78.933592
"1341366"	310.168307	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+DMSO+H"	79.021207
"1013177"	314.207476	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2ACN+H"	83.060376
"1525837"	315.201108	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+IsoProp+Na+H"	84.054008
"996661"	157.607376	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+2ACN+2H"	84.067652
"1592261"	316.115728	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+K+HCOOH"	84.968628
"1415732"	346.147238	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+H+CF3COOH"	115.000138
"1160245"	178.120651	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+3ACN+2H"	125.094202
"1712655"	363.173785	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+NH4+CF3COOH"	132.026685
"1647631"	368.12918	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+Na+CF3COOH"	136.98208
"1582188"	384.10312	"C02862"	"O-Butanoylcarnitine"	"C11H21NO4"	"231.1471"	"M+K+CF3COOH"	152.95602
"802713"	457.2074	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M"	0
"977342"	438.18901	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-H2O-H"	-19.01839
"63270"	303.797657333333	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M-3H"	-3.021828
"504048"	456.200124	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M-3H"	-3.021828
"885130"	151.395190666667	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-3H"	-3.021828
"6986"	456.200124	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M-2H"	-2.014552
"446546"	684.803824	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M-2H"	-2.014552
"823256"	227.596424	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-2H"	-2.014552
"88713"	913.407524	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M-H"	-1.007276
"527180"	1370.614924	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M-H"	-1.007276
"901707"	456.200124	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-H"	-1.007276
"56082"	930.434071	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M-2H+NH4"	16.019271
"492363"	1387.641471	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M-2H+NH4"	16.019271
"868342"	473.226671	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-2H+NH4"	16.019271
"38064"	935.389466	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M-2H+Na"	20.974666
"480905"	1392.596866	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M-2H+Na"	20.974666
"854331"	478.182066	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-2H+Na"	20.974666
"1620948"	478.182066	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Na-2H"	20.974666
"96745"	474.188463	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M-H+Cl"	33.962126
"537764"	702.792163	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M-H+Cl"	33.962126
"930551"	245.584763	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-H+Cl"	33.962126
"269471"	949.384202	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+Cl"	34.969402
"663357"	1406.591602	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+Cl"	34.969402
"1274056"	492.176802	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Cl"	34.969402
"21597"	951.363406	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M-2H+K"	36.948606
"457147"	1408.570806	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M-2H+K"	36.948606
"832962"	494.156006	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-2H+K"	36.948606
"1560265"	494.156006	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+K-2H"	36.948606
"944867"	502.205594	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-H+HCOOH"	44.998194
"362108"	959.413001	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+HCOOH-H"	44.998201
"346186"	973.428651	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+Hac-H"	59.013851
"1493357"	516.221251	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Hac-H"	59.013851
"965528"	524.187551	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-H+NaCOOH"	66.980151
"114438"	492.176802	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+2Cl"	69.938804
"560565"	720.780502	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+2Cl"	69.938804
"1030458"	263.573102	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2Cl"	69.938804
"1248943"	536.126285	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Br"	78.918885
"1311391"	538.182272	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Cl+HCOOH"	80.974872
"1329981"	560.164229	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Cl+NaCOOH"	102.956829
"922133"	570.192986	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M-H+CF3COOH"	112.985586
"1296654"	606.169664	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Cl+CF3COOH"	148.962264
"1370439"	422.194724	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H-2H2O"	-35.012676
"1384411"	440.2047	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H-H2O"	-17.0027
"285798"	915.422076	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+H"	1.007276
"677856"	1372.629476	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+H"	1.007276
"1354204"	458.214676	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H"	1.007276
"130373"	458.214676	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+2H"	2.014552
"574305"	686.818376	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+2H"	2.014552
"1039824"	229.610976	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2H"	2.014552
"212095"	305.812209333333	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+3H"	3.021828
"654944"	458.214676	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+3H"	3.021828
"1172341"	153.409742666667	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+3H"	3.021828
"435248"	932.448623	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+NH4"	18.033823
"791868"	1389.656023	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+NH4"	18.033823
"1688200"	475.241223	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+NH4"	18.033823
"334290"	466.7279495	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+H+NH4"	19.041099
"726711"	695.3316495	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+H+NH4"	19.041099
"1480533"	238.1242495	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H+NH4"	19.041099
"394838"	937.404018	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+Na"	22.989218
"756565"	1394.611418	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+Na"	22.989218
"1603365"	480.196618	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Na"	22.989218
"319446"	469.205647	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+H+Na"	23.996494
"715161"	697.809347	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+H+Na"	23.996494
"1468618"	240.601947	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H+Na"	23.996494
"1060040"	160.737056666667	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2H+Na"	25.00377
"1263906"	490.240886	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+CH3OH+H"	33.033486
"384666"	953.377958	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+K"	38.963158
"748941"	1410.585358	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+K"	38.963158
"1547713"	496.170558	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+K"	38.963158
"300156"	477.192617	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+H+K"	39.970434
"691440"	705.796317	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+H+K"	39.970434
"1446390"	248.588917	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H+K"	39.970434
"236571"	956.448626	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+ACN+H"	42.033826
"1210736"	499.241226	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+ACN+H"	42.033826
"1195595"	250.124251	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+ACN+2H"	43.041102
"193938"	959.38596	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+2Na-H"	44.97116
"630942"	1416.59336	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+2Na-H"	44.97116
"1133719"	502.17856	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2Na-H"	44.97116
"175552"	480.196618	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+2Na"	45.978436
"615111"	708.800318	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+2Na"	45.978436
"1117395"	251.592918	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2Na"	45.978436
"1399966"	168.064370666667	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H+2Na"	46.985712
"1438644"	504.220146	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H+HCOOH"	47.012746
"221776"	485.22964	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+3H2O+2H"	56.04448
"1512021"	518.27219	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+IsoProp+H"	61.06479
"410248"	488.183588	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+Na+K"	61.952376
"772337"	716.787288	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+Na+K"	61.952376
"1667938"	259.579888	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Na+K"	61.952376
"254094"	978.430568	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+ACN+Na"	64.015768
"1227533"	521.223168	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+ACN+Na"	64.015768
"1715693"	521.246693	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+NH4+HCOOH"	64.039293
"1182140"	175.391684666667	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+3Na"	68.967654
"1652031"	526.202088	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Na+HCOOH"	68.994688
"160353"	991.33384	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+2K-H"	76.91904
"604292"	1448.54124	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+2K-H"	76.91904
"1092085"	534.12644	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2K-H"	76.91904
"145619"	496.170558	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"2M+2K"	77.926316
"585182"	724.774258	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"3M+2K"	77.926316
"1070788"	267.566858	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2K"	77.926316
"1106185"	536.140992	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2K+H"	78.933592
"1339291"	536.228607	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+DMSO+H"	79.021207
"1007458"	540.267776	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2ACN+H"	83.060376
"1529231"	541.261408	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+IsoProp+Na+H"	84.054008
"992398"	270.637526	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+2ACN+2H"	84.067652
"1591278"	542.176028	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+K+HCOOH"	84.968628
"1426788"	572.207538	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+H+CF3COOH"	115.000138
"1157076"	291.150801	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+3ACN+2H"	125.094202
"1708813"	589.234085	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+NH4+CF3COOH"	132.026685
"1648837"	594.18948	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+Na+CF3COOH"	136.98208
"1582299"	610.16342	"C02864"	"O-Demethylpuromycin"	"C21H27N7O5"	"457.2074"	"M+K+CF3COOH"	152.95602
"809386"	318.074	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M"	0
"985106"	299.05561	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-H2O-H"	-19.01839
"76629"	211.042057333333	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M-3H"	-3.021828
"509627"	317.066724	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M-3H"	-3.021828
"885241"	105.017390666667	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-3H"	-3.021828
"10376"	317.066724	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M-2H"	-2.014552
"451031"	476.103724	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M-2H"	-2.014552
"829930"	158.029724	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-2H"	-2.014552
"89923"	635.140724	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M-H"	-1.007276
"526203"	953.214724	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M-H"	-1.007276
"901820"	317.066724	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-H"	-1.007276
"50730"	652.167271	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M-2H+NH4"	16.019271
"491383"	970.241271	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M-2H+NH4"	16.019271
"874287"	334.093271	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-2H+NH4"	16.019271
"42551"	657.122666	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M-2H+Na"	20.974666
"483204"	975.196666	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M-2H+Na"	20.974666
"857724"	339.048666	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-2H+Na"	20.974666
"1623976"	339.048666	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Na-2H"	20.974666
"101599"	335.055063	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M-H+Cl"	33.962126
"538971"	494.092063	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M-H+Cl"	33.962126
"929570"	176.018063	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-H+Cl"	33.962126
"278701"	671.117402	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+Cl"	34.969402
"665655"	989.191402	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+Cl"	34.969402
"1282432"	353.043402	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Cl"	34.969402
"22800"	673.096606	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M-2H+K"	36.948606
"461275"	991.170606	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M-2H+K"	36.948606
"839079"	355.022606	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-2H+K"	36.948606
"1562566"	355.022606	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+K-2H"	36.948606
"947168"	363.072194	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-H+HCOOH"	44.998194
"365381"	681.146201	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+HCOOH-H"	44.998201
"351457"	695.161851	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+Hac-H"	59.013851
"1505395"	377.087851	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Hac-H"	59.013851
"973307"	385.054151	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-H+NaCOOH"	66.980151
"123682"	353.043402	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+2Cl"	69.938804
"563237"	512.080402	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+2Cl"	69.938804
"1036415"	194.006402	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2Cl"	69.938804
"1256843"	396.992885	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Br"	78.918885
"1319412"	399.048872	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Cl+HCOOH"	80.974872
"1335328"	421.030829	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Cl+NaCOOH"	102.956829
"926747"	431.059586	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M-H+CF3COOH"	112.985586
"1303452"	467.036264	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Cl+CF3COOH"	148.962264
"1379300"	283.061324	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H-2H2O"	-35.012676
"1397978"	301.0713	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H-H2O"	-17.0027
"297581"	637.155276	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+H"	1.007276
"689270"	955.229276	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+H"	1.007276
"1359784"	319.081276	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H"	1.007276
"130484"	319.081276	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+2H"	2.014552
"571137"	478.118276	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+2H"	2.014552
"1043225"	160.044276	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2H"	2.014552
"216228"	213.056609333333	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+3H"	3.021828
"652869"	319.081276	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+3H"	3.021828
"1174274"	107.031942666667	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+3H"	3.021828
"437544"	654.181823	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+NH4"	18.033823
"792343"	972.255823	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+NH4"	18.033823
"1689405"	336.107823	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+NH4"	18.033823
"335502"	327.5945495	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+H+NH4"	19.041099
"727922"	486.6315495	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+H+NH4"	19.041099
"1478827"	168.5575495	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H+NH4"	19.041099
"400429"	659.137218	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+Na"	22.989218
"760334"	977.211218	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+Na"	22.989218
"1615730"	341.063218	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Na"	22.989218
"326132"	330.072247	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+H+Na"	23.996494
"720865"	489.109247	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+H+Na"	23.996494
"1476264"	171.035247	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H+Na"	23.996494
"1061252"	114.359256666667	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2H+Na"	25.00377
"1267303"	351.107486	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+CH3OH+H"	33.033486
"389154"	675.111158	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+K"	38.963158
"745780"	993.185158	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+K"	38.963158
"1543824"	357.037158	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+K"	38.963158
"301366"	338.059217	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+H+K"	39.970434
"696337"	497.096217	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+H+K"	39.970434
"1449063"	179.022217	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H+K"	39.970434
"240946"	678.181826	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+ACN+H"	42.033826
"1214747"	360.107826	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+ACN+H"	42.033826
"1195344"	180.557551	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+ACN+2H"	43.041102
"190406"	681.11916	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+2Na-H"	44.97116
"631063"	999.19316	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+2Na-H"	44.97116
"1134930"	363.04516	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2Na-H"	44.97116
"175667"	341.063218	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+2Na"	45.978436
"616326"	500.100218	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+2Na"	45.978436
"1128583"	182.026218	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2Na"	45.978436
"1403357"	121.686570666667	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H+2Na"	46.985712
"1439847"	365.086746	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H+HCOOH"	47.012746
"224073"	346.09624	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+3H2O+2H"	56.04448
"1511039"	379.13879	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+IsoProp+H"	61.06479
"417292"	349.050188	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+Na+K"	61.952376
"773546"	508.087188	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+Na+K"	61.952376
"1666961"	190.013188	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Na+K"	61.952376
"252752"	700.163768	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+ACN+Na"	64.015768
"1227284"	382.089768	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+ACN+Na"	64.015768
"1715438"	382.113293	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+NH4+HCOOH"	64.039293
"1179703"	129.013884666667	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+3Na"	68.967654
"1654697"	387.068688	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Na+HCOOH"	68.994688
"167031"	713.06704	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+2K-H"	76.91904
"605496"	1031.14104	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+2K-H"	76.91904
"1093288"	394.99304	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2K-H"	76.91904
"147919"	357.037158	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"2M+2K"	77.926316
"587479"	516.074158	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"3M+2K"	77.926316
"1069444"	198.000158	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2K"	77.926316
"1101925"	397.007592	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2K+H"	78.933592
"1339404"	397.095207	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+DMSO+H"	79.021207
"1008662"	401.134376	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2ACN+H"	83.060376
"1527155"	402.128008	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+IsoProp+Na+H"	84.054008
"1002361"	201.070826	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+2ACN+2H"	84.067652
"1595771"	403.042628	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+K+HCOOH"	84.968628
"1426898"	433.074138	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+H+CF3COOH"	115.000138
"1160468"	221.584101	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+3ACN+2H"	125.094202
"1708924"	450.100685	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+NH4+CF3COOH"	132.026685
"1647855"	455.05608	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+Na+CF3COOH"	136.98208
"1582410"	471.03002	"C02868"	"Lecanoric acid;Orsellinate depside"	"C16H14O7"	"318.074"	"M+K+CF3COOH"	152.95602
"802938"	154.0031	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M"	0
"978657"	134.98471	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-H2O-H"	-19.01839
"71273"	101.661457333333	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M-3H"	-3.021828
"505364"	152.995824	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M-3H"	-3.021828
"890824"	50.3270906666667	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-3H"	-3.021828
"1746"	152.995824	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M-2H"	-2.014552
"442765"	229.997374	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M-2H"	-2.014552
"818745"	75.994274	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-2H"	-2.014552
"83471"	306.998924	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M-H"	-1.007276
"526317"	461.002024	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M-H"	-1.007276
"900108"	152.995824	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-H"	-1.007276
"54117"	324.025471	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M-2H+NH4"	16.019271
"494771"	478.028571	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M-2H+NH4"	16.019271
"874760"	170.022371	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-2H+NH4"	16.019271
"38289"	328.980866	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M-2H+Na"	20.974666
"478942"	482.983966	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M-2H+Na"	20.974666
"857839"	174.977766	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-2H+Na"	20.974666
"1624094"	174.977766	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Na-2H"	20.974666
"98436"	170.984163	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M-H+Cl"	33.962126
"539091"	247.985713	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M-H+Cl"	33.962126
"933696"	93.982613	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-H+Cl"	33.962126
"271526"	342.975602	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+Cl"	34.969402
"664680"	496.978702	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+Cl"	34.969402
"1274532"	188.972502	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Cl"	34.969402
"20734"	344.954806	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M-2H+K"	36.948606
"461391"	498.957906	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M-2H+K"	36.948606
"839192"	190.951706	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-2H+K"	36.948606
"1565963"	190.951706	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+K-2H"	36.948606
"958195"	199.001294	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-H+HCOOH"	44.998194
"376692"	353.004401	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+HCOOH-H"	44.998201
"359478"	367.020051	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+Hac-H"	59.013851
"1501504"	213.016951	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Hac-H"	59.013851
"971962"	220.983251	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-H+NaCOOH"	66.980151
"119046"	188.972502	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+2Cl"	69.938804
"561886"	265.974052	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+2Cl"	69.938804
"1032871"	111.970952	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2Cl"	69.938804
"1249168"	232.921985	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Br"	78.918885
"1312712"	234.977972	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Cl+HCOOH"	80.974872
"1328020"	256.959929	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Cl+NaCOOH"	102.956829
"920173"	266.988686	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M-H+CF3COOH"	112.985586
"1296881"	302.965364	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Cl+CF3COOH"	148.962264
"1373946"	118.990424	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H-2H2O"	-35.012676
"1393629"	137.0004	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H-H2O"	-17.0027
"295867"	309.013476	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+H"	1.007276
"681363"	463.016576	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+H"	1.007276
"1359904"	155.010376	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H"	1.007276
"129512"	155.010376	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+2H"	2.014552
"571257"	232.011926	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+2H"	2.014552
"1043337"	78.008826	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2H"	2.014552
"210145"	103.676009333333	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+3H"	3.021828
"651892"	155.010376	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+3H"	3.021828
"1168928"	52.3416426666667	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+3H"	3.021828
"431110"	326.040023	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+NH4"	18.033823
"794292"	480.043123	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+NH4"	18.033823
"1687342"	172.036923	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+NH4"	18.033823
"337809"	163.5236495	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+H+NH4"	19.041099
"729136"	240.5251995	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+H+NH4"	19.041099
"1491349"	86.5220995	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H+NH4"	19.041099
"403833"	330.995418	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+Na"	22.989218
"769856"	484.998518	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+Na"	22.989218
"1618029"	176.992318	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Na"	22.989218
"329893"	166.001347	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+H+Na"	23.996494
"720732"	243.002897	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+H+Na"	23.996494
"1474675"	88.999797	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H+Na"	23.996494
"1055162"	59.6689566666667	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2H+Na"	25.00377
"1258668"	187.036586	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+CH3OH+H"	33.033486
"379058"	346.969358	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+K"	38.963158
"740780"	500.972458	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+K"	38.963158
"1541012"	192.966258	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+K"	38.963158
"299284"	173.988317	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+H+K"	39.970434
"697540"	250.989867	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+H+K"	39.970434
"1450267"	96.986767	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H+K"	39.970434
"239233"	350.040026	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+ACN+H"	42.033826
"1213766"	196.036926	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+ACN+H"	42.033826
"1198743"	98.522101	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+ACN+2H"	43.041102
"195992"	352.97736	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+2Na-H"	44.97116
"636645"	506.98046	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+2Na-H"	44.97116
"1135777"	198.97426	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2Na-H"	44.97116
"183440"	176.992318	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+2Na"	45.978436
"623001"	253.993868	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+2Na"	45.978436
"1127601"	99.990768	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2Na"	45.978436
"1407845"	66.9962706666667	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H+2Na"	46.985712
"1435586"	201.015846	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H+HCOOH"	47.012746
"226375"	182.02534	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+3H2O+2H"	56.04448
"1511521"	215.06789	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+IsoProp+H"	61.06479
"413032"	184.979288	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+Na+K"	61.952376
"777309"	261.980838	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+Na+K"	61.952376
"1671452"	107.977738	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Na+K"	61.952376
"259065"	372.021968	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+ACN+Na"	64.015768
"1235055"	218.018868	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+ACN+Na"	64.015768
"1719569"	218.042393	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+NH4+HCOOH"	64.039293
"1186016"	74.3235846666667	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+3Na"	68.967654
"1659188"	222.997788	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Na+HCOOH"	68.994688
"164956"	384.92524	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+2K-H"	76.91904
"600142"	538.92834	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+2K-H"	76.91904
"1087940"	230.92214	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2K-H"	76.91904
"150226"	192.966258	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"2M+2K"	77.926316
"585411"	269.967808	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"3M+2K"	77.926316
"1074300"	115.964708	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2K"	77.926316
"1108605"	232.936692	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2K+H"	78.933592
"1349733"	233.024307	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+DMSO+H"	79.021207
"1018629"	237.063476	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2ACN+H"	83.060376
"1530555"	238.057108	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+IsoProp+Na+H"	84.054008
"999190"	119.035376	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+2ACN+2H"	84.067652
"1593692"	238.971728	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+K+HCOOH"	84.968628
"1421539"	269.003238	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+H+CF3COOH"	115.000138
"1152918"	139.548651	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+3ACN+2H"	125.094202
"1709403"	286.029785	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+NH4+CF3COOH"	132.026685
"1646510"	290.98518	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+Na+CF3COOH"	136.98208
"1582524"	306.95912	"C02876"	"Propanoyl phosphate;Propionyl phosphate"	"C3H7O5P"	"154.0031"	"M+K+CF3COOH"	152.95602
"809608"	564.1632	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M"	0
"978766"	545.14481	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-H2O-H"	-19.01839
"71383"	375.101524	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M-3H"	-3.021828
"503770"	563.155924	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M-3H"	-3.021828
"889841"	187.047124	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-3H"	-3.021828
"1859"	563.155924	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M-2H"	-2.014552
"441418"	845.237524	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M-2H"	-2.014552
"818856"	281.074324	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-2H"	-2.014552
"81762"	1127.319124	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M-H"	-1.007276
"521324"	1691.482324	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M-H"	-1.007276
"902040"	563.155924	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-H"	-1.007276
"51312"	1144.345671	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M-2H+NH4"	16.019271
"493789"	1708.508871	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M-2H+NH4"	16.019271
"873778"	580.182471	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-2H+NH4"	16.019271
"39493"	1149.301066	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M-2H+Na"	20.974666
"481239"	1713.464266	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M-2H+Na"	20.974666
"860136"	585.137866	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-2H+Na"	20.974666
"1628578"	585.137866	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Na-2H"	20.974666
"101827"	581.144263	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M-H+Cl"	33.962126
"539202"	863.225863	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M-H+Cl"	33.962126
"933079"	299.062663	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-H+Cl"	33.962126
"276738"	1163.295802	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+Cl"	34.969402
"662603"	1727.459002	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+Cl"	34.969402
"1275006"	599.132602	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Cl"	34.969402
"20844"	1165.275006	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M-2H+K"	36.948606
"461501"	1729.438206	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M-2H+K"	36.948606
"838209"	601.111806	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-2H+K"	36.948606
"1565709"	601.111806	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+K-2H"	36.948606
"958104"	609.161394	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-H+HCOOH"	44.998194
"376683"	1173.324601	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+HCOOH-H"	44.998201
"361051"	1187.340251	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+Hac-H"	59.013851
"1508058"	623.177051	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Hac-H"	59.013851
"973898"	631.143351	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-H+NaCOOH"	66.980151
"122803"	599.132602	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+2Cl"	69.938804
"560903"	881.214202	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+2Cl"	69.938804
"1028608"	317.051002	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2Cl"	69.938804
"1251467"	643.082085	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Br"	78.918885
"1310634"	645.138072	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Cl+HCOOH"	80.974872
"1326307"	667.120029	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Cl+NaCOOH"	102.956829
"919188"	677.148786	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M-H+CF3COOH"	112.985586
"1297719"	713.125464	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Cl+CF3COOH"	148.962264
"1374056"	529.150524	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H-2H2O"	-35.012676
"1396294"	547.1605	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H-H2O"	-17.0027
"296345"	1129.333676	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+H"	1.007276
"689128"	1693.496876	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+H"	1.007276
"1358920"	565.170476	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H"	1.007276
"130350"	565.170476	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+2H"	2.014552
"570273"	847.252076	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+2H"	2.014552
"1046727"	283.088876	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2H"	2.014552
"212440"	377.116076	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+3H"	3.021828
"650908"	565.170476	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+3H"	3.021828
"1173411"	189.061676	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+3H"	3.021828
"429032"	1146.360223	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+NH4"	18.033823
"793309"	1710.523423	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+NH4"	18.033823
"1687452"	582.197023	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+NH4"	18.033823
"336826"	573.6837495	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+H+NH4"	19.041099
"727788"	855.7653495	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+H+NH4"	19.041099
"1491824"	291.6021495	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H+NH4"	19.041099
"406863"	1151.315618	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+Na"	22.989218
"769908"	1715.478818	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+Na"	22.989218
"1617899"	587.152418	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Na"	22.989218
"329434"	576.161447	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+H+Na"	23.996494
"721937"	858.243047	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+H+Na"	23.996494
"1475757"	294.079847	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H+Na"	23.996494
"1056003"	196.38899	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2H+Na"	25.00377
"1263151"	597.196686	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+CH3OH+H"	33.033486
"383914"	1167.289558	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+K"	38.963158
"739928"	1731.452758	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+K"	38.963158
"1544773"	603.126358	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+K"	38.963158
"301949"	584.148417	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+H+K"	39.970434
"696557"	866.230017	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+H+K"	39.970434
"1452564"	302.066817	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H+K"	39.970434
"239343"	1170.360226	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+ACN+H"	42.033826
"1221531"	606.197026	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+ACN+H"	42.033826
"1198853"	303.602151	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+ACN+2H"	43.041102
"199381"	1173.29756	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+2Na-H"	44.97116
"633475"	1737.46076	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+2Na-H"	44.97116
"1133943"	609.13436	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2Na-H"	44.97116
"175045"	587.152418	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+2Na"	45.978436
"623112"	869.234018	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+2Na"	45.978436
"1125525"	305.070818	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2Na"	45.978436
"1411235"	203.716304	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H+2Na"	46.985712
"1437884"	611.175946	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H+HCOOH"	47.012746
"226486"	592.18544	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+3H2O+2H"	56.04448
"1515640"	625.22799	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+IsoProp+H"	61.06479
"416422"	595.139388	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+Na+K"	61.952376
"779606"	877.220988	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+Na+K"	61.952376
"1673749"	313.057788	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Na+K"	61.952376
"262455"	1192.342168	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+ACN+Na"	64.015768
"1237351"	628.178968	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+ACN+Na"	64.015768
"1719678"	628.202493	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+NH4+HCOOH"	64.039293
"1190499"	211.043618	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+3Na"	68.967654
"1663672"	633.157888	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Na+HCOOH"	68.994688
"168346"	1205.24544	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+2K-H"	76.91904
"600982"	1769.40864	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+2K-H"	76.91904
"1089143"	641.08224	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2K-H"	76.91904
"151429"	603.126358	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"2M+2K"	77.926316
"589897"	885.207958	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"3M+2K"	77.926316
"1079878"	321.044758	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2K"	77.926316
"1110901"	643.096792	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2K+H"	78.933592
"1347292"	643.184407	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+DMSO+H"	79.021207
"1019103"	647.223576	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2ACN+H"	83.060376
"1532852"	648.217208	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+IsoProp+Na+H"	84.054008
"999300"	324.115426	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+2ACN+2H"	84.067652
"1597084"	649.131828	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+K+HCOOH"	84.968628
"1421649"	679.163338	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+H+CF3COOH"	115.000138
"1153028"	344.628701	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+3ACN+2H"	125.094202
"1709877"	696.189885	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+NH4+CF3COOH"	132.026685
"1643704"	701.14528	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+Na+CF3COOH"	136.98208
"1582634"	717.11922	"C02879"	"Protoaphin aglucone;Protoaphin aglycone"	"C30H28O11"	"564.1632"	"M+K+CF3COOH"	152.95602
"803158"	612.2223	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M"	0
"978876"	593.20391	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H2O-H"	-19.01839
"67118"	407.140924	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-3H"	-3.021828
"503882"	611.215024	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-3H"	-3.021828
"888858"	203.066824	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-3H"	-3.021828
"875"	611.215024	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H"	-2.014552
"441528"	917.326174	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H"	-2.014552
"817219"	305.103874	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H"	-2.014552
"78625"	1223.437324	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-H"	-1.007276
"518916"	1835.659624	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-H"	-1.007276
"898870"	611.215024	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H"	-1.007276
"48624"	1240.463871	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H+NH4"	16.019271
"488432"	1852.686171	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H+NH4"	16.019271
"868422"	628.241571	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H+NH4"	16.019271
"36323"	1245.419266	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H+Na"	20.974666
"478069"	1857.641566	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H+Na"	20.974666
"858059"	633.196966	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H+Na"	20.974666
"1626500"	633.196966	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na-2H"	20.974666
"100842"	629.203363	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-H+Cl"	33.962126
"545871"	935.314513	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-H+Cl"	33.962126
"939385"	323.092213	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+Cl"	33.962126
"276848"	1259.414002	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Cl"	34.969402
"661983"	1871.636302	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+Cl"	34.969402
"1275480"	647.191702	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl"	34.969402
"19861"	1261.393206	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H+K"	36.948606
"461611"	1873.615506	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H+K"	36.948606
"838319"	649.170906	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H+K"	36.948606
"1567276"	649.170906	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K-2H"	36.948606
"957720"	657.220494	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+HCOOH"	44.998194
"376877"	1269.442801	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+HCOOH-H"	44.998201
"361289"	1283.458451	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Hac-H"	59.013851
"1507436"	671.236151	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Hac-H"	59.013851
"972792"	679.202451	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+NaCOOH"	66.980151
"123280"	647.191702	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2Cl"	69.938804
"562835"	953.302852	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2Cl"	69.938804
"1028719"	341.080552	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2Cl"	69.938804
"1250482"	691.141185	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Br"	78.918885
"1312930"	693.197172	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl+HCOOH"	80.974872
"1326051"	715.179129	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl+NaCOOH"	102.956829
"917112"	725.207886	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+CF3COOH"	112.985586
"1297100"	761.184564	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl+CF3COOH"	148.962264
"1373073"	577.209624	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H-2H2O"	-35.012676
"1397376"	595.2196	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H-H2O"	-17.0027
"296454"	1225.451876	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H"	1.007276
"688511"	1837.674176	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H"	1.007276
"1356114"	613.229576	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H"	1.007276
"131189"	613.229576	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2H"	2.014552
"574758"	919.340726	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2H"	2.014552
"1045744"	307.118426	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2H"	2.014552
"211458"	409.155476	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+3H"	3.021828
"651019"	613.229576	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+3H"	3.021828
"1170241"	205.081376	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+3H"	3.021828
"428049"	1242.478423	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+NH4"	18.033823
"793419"	1854.700723	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+NH4"	18.033823
"1687562"	630.256123	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+NH4"	18.033823
"336936"	621.7428495	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H+NH4"	19.041099
"727534"	927.8539995	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H+NH4"	19.041099
"1490475"	315.6316995	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+NH4"	19.041099
"400770"	1247.433818	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Na"	22.989218
"769756"	1859.656118	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+Na"	22.989218
"1616429"	635.211518	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na"	22.989218
"328531"	624.220547	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H+Na"	23.996494
"715607"	930.331697	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H+Na"	23.996494
"1472708"	318.109397	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+Na"	23.996494
"1055019"	212.40869	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2H+Na"	25.00377
"1263261"	645.255786	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+CH3OH+H"	33.033486
"381837"	1263.407758	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+K"	38.963158
"743922"	1875.630058	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+K"	38.963158
"1540876"	651.185458	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K"	38.963158
"300966"	632.207517	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H+K"	39.970434
"693386"	938.318667	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H+K"	39.970434
"1452674"	326.096367	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+K"	39.970434
"239089"	1266.478426	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+ACN+H"	42.033826
"1215079"	654.256126	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+ACN+H"	42.033826
"1198963"	327.631701	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+ACN+2H"	43.041102
"192930"	1269.41576	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2Na-H"	44.97116
"633585"	1881.63806	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2Na-H"	44.97116
"1133811"	657.19346	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2Na-H"	44.97116
"180381"	635.211518	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2Na"	45.978436
"622128"	941.322668	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2Na"	45.978436
"1122354"	329.100368	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2Na"	45.978436
"1410617"	219.736004	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+2Na"	46.985712
"1441274"	659.235046	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+HCOOH"	47.012746
"230970"	640.24454	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+3H2O+2H"	56.04448
"1520126"	673.28709	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+IsoProp+H"	61.06479
"417626"	643.198488	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Na+K"	61.952376
"779716"	949.309638	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+Na+K"	61.952376
"1676046"	337.087338	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na+K"	61.952376
"264752"	1288.460368	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+ACN+Na"	64.015768
"1239648"	676.238068	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+ACN+Na"	64.015768
"1720883"	676.261593	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+NH4+HCOOH"	64.039293
"1190610"	227.063318	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+3Na"	68.967654
"1664875"	681.216988	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na+HCOOH"	68.994688
"168455"	1301.36364	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2K-H"	76.91904
"600365"	1913.58594	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2K-H"	76.91904
"1088156"	689.14134	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2K-H"	76.91904
"144973"	651.185458	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2K"	77.926316
"583804"	957.296608	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2K"	77.926316
"1078895"	345.074308	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2K"	77.926316
"1112104"	691.155892	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2K+H"	78.933592
"1348488"	691.243507	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+DMSO+H"	79.021207
"1012649"	695.282676	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2ACN+H"	83.060376
"1531867"	696.276308	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+IsoProp+Na+H"	84.054008
"999410"	348.144976	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2ACN+2H"	84.067652
"1597194"	697.190928	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K+HCOOH"	84.968628
"1417384"	727.222438	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+CF3COOH"	115.000138
"1149858"	368.658251	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+3ACN+2H"	125.094202
"1709257"	744.248985	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+NH4+CF3COOH"	132.026685
"1644907"	749.20438	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na+CF3COOH"	136.98208
"1582744"	765.17832	"C02880"	"Protochlorophyllide;Protochlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K+CF3COOH"	152.95602
"803269"	389.9518	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M"	0
"978986"	370.93341	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-H2O-H"	-19.01839
"66135"	258.960590666667	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M-3H"	-3.021828
"503514"	388.944524	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M-3H"	-3.021828
"880125"	128.976657333333	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-3H"	-3.021828
"66"	388.944524	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M-2H"	-2.014552
"440911"	583.920424	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M-2H"	-2.014552
"817206"	193.968624	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-2H"	-2.014552
"79669"	778.896324	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M-H"	-1.007276
"520085"	1168.848124	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M-H"	-1.007276
"898979"	388.944524	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-H"	-1.007276
"56634"	795.922871	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M-2H+NH4"	16.019271
"494007"	1185.874671	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M-2H+NH4"	16.019271
"869622"	405.971071	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-2H+NH4"	16.019271
"37525"	800.878266	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M-2H+Na"	20.974666
"475993"	1190.830066	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M-2H+Na"	20.974666
"851244"	410.926466	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-2H+Na"	20.974666
"1622236"	410.926466	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Na-2H"	20.974666
"97672"	406.932863	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M-H+Cl"	33.962126
"541606"	601.908763	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M-H+Cl"	33.962126
"939495"	211.956963	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-H+Cl"	33.962126
"267481"	814.873002	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+Cl"	34.969402
"665011"	1204.824802	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+Cl"	34.969402
"1274133"	424.921202	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Cl"	34.969402
"24348"	816.852206	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M-2H+K"	36.948606
"466827"	1206.804006	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M-2H+K"	36.948606
"842804"	426.900406	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-2H+K"	36.948606
"1571234"	426.900406	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+K-2H"	36.948606
"958298"	434.949994	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-H+HCOOH"	44.998194
"377009"	824.901801	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+HCOOH-H"	44.998201
"361300"	838.917451	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+Hac-H"	59.013851
"1506209"	448.965651	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Hac-H"	59.013851
"973269"	456.931951	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-H+NaCOOH"	66.980151
"125332"	424.921202	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+2Cl"	69.938804
"562582"	619.897102	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+2Cl"	69.938804
"1031015"	229.945302	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2Cl"	69.938804
"1248770"	468.870685	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Br"	78.918885
"1311947"	470.926672	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Cl+HCOOH"	80.974872
"1327254"	492.908629	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Cl+NaCOOH"	102.956829
"917222"	502.937386	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M-H+CF3COOH"	112.985586
"1293930"	538.914064	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Cl+CF3COOH"	148.962264
"1375370"	354.939124	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H-2H2O"	-35.012676
"1396878"	372.9491	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H-H2O"	-17.0027
"289272"	780.910876	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+H"	1.007276
"680601"	1170.862676	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+H"	1.007276
"1353672"	390.959076	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H"	1.007276
"129842"	390.959076	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+2H"	2.014552
"572681"	585.934976	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+2H"	2.014552
"1045853"	195.983176	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2H"	2.014552
"205373"	260.975142666667	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+3H"	3.021828
"647488"	390.959076	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+3H"	3.021828
"1171448"	130.991209333333	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+3H"	3.021828
"425607"	797.937423	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+NH4"	18.033823
"792436"	1187.889223	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+NH4"	18.033823
"1685487"	407.985623	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+NH4"	18.033823
"341422"	399.4723495	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+H+NH4"	19.041099
"737821"	594.4482495	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+H+NH4"	19.041099
"1491804"	204.4964495	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H+NH4"	19.041099
"407202"	802.892818	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+Na"	22.989218
"760787"	1192.844618	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+Na"	22.989218
"1607426"	412.941018	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Na"	22.989218
"324388"	401.950047	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+H+Na"	23.996494
"716810"	596.925947	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+H+Na"	23.996494
"1472818"	206.974147	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H+Na"	23.996494
"1057317"	138.318523333333	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2H+Na"	25.00377
"1260090"	422.985286	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+CH3OH+H"	33.033486
"381945"	818.866758	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+K"	38.963158
"741116"	1208.818558	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+K"	38.963158
"1540617"	428.914958	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+K"	38.963158
"302168"	409.937017	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+H+K"	39.970434
"693497"	604.912917	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+H+K"	39.970434
"1448775"	214.961117	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H+K"	39.970434
"239199"	821.937426	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+ACN+H"	42.033826
"1215192"	431.985626	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+ACN+H"	42.033826
"1200169"	216.496451	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+ACN+2H"	43.041102
"194133"	824.87476	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+2Na-H"	44.97116
"628994"	1214.82656	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+2Na-H"	44.97116
"1136107"	434.92296	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2Na-H"	44.97116
"177210"	412.941018	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+2Na"	45.978436
"623333"	607.916918	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+2Na"	45.978436
"1121369"	217.965118	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2Na"	45.978436
"1403800"	145.645837333333	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H+2Na"	46.985712
"1435188"	436.964546	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H+HCOOH"	47.012746
"231079"	417.97404	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+3H2O+2H"	56.04448
"1515861"	451.01659	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+IsoProp+H"	61.06479
"414455"	420.927988	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+Na+K"	61.952376
"777637"	615.903888	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+Na+K"	61.952376
"1672877"	225.952088	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Na+K"	61.952376
"261585"	843.919368	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+ACN+Na"	64.015768
"1230285"	453.967568	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+ACN+Na"	64.015768
"1718805"	453.991093	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+NH4+HCOOH"	64.039293
"1187439"	152.973151333333	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+3Na"	68.967654
"1655873"	458.946488	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Na+HCOOH"	68.994688
"160916"	856.82264	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+2K-H"	76.91904
"599745"	1246.77444	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+2K-H"	76.91904
"1086448"	466.87084	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2K-H"	76.91904
"143623"	428.914958	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"2M+2K"	77.926316
"591213"	623.890858	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"3M+2K"	77.926316
"1082288"	233.939058	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2K"	77.926316
"1112215"	468.885392	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2K+H"	78.933592
"1347512"	468.973007	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+DMSO+H"	79.021207
"1016041"	473.012176	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2ACN+H"	83.060376
"1536357"	474.005808	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+IsoProp+Na+H"	84.054008
"1002803"	237.009726	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+2ACN+2H"	84.067652
"1598398"	474.920428	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+K+HCOOH"	84.968628
"1418589"	504.951938	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+H+CF3COOH"	115.000138
"1161886"	257.523001	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+3ACN+2H"	125.094202
"1712045"	521.978485	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+NH4+CF3COOH"	132.026685
"1645020"	526.93388	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+Na+CF3COOH"	136.98208
"1582855"	542.90782	"C02884"	"Ribose triphosphate;D-Ribose 5-triphosphate"	"C5H13O14P3"	"389.9518"	"M+K+CF3COOH"	152.95602
"803380"	391.1777	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M"	0
"983473"	372.15931	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-H2O-H"	-19.01839
"64065"	259.777857333333	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M-3H"	-3.021828
"504354"	390.170424	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M-3H"	-3.021828
"880525"	129.385290666667	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-3H"	-3.021828
"4378"	390.170424	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M-2H"	-2.014552
"440169"	585.759274	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M-2H"	-2.014552
"817604"	194.581574	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-2H"	-2.014552
"80024"	781.348124	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M-H"	-1.007276
"526756"	1172.525824	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M-H"	-1.007276
"903463"	390.170424	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-H"	-1.007276
"52370"	798.374671	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M-2H+NH4"	16.019271
"495211"	1189.552371	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M-2H+NH4"	16.019271
"875200"	407.196971	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-2H+NH4"	16.019271
"37635"	803.330066	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M-2H+Na"	20.974666
"480477"	1194.507766	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M-2H+Na"	20.974666
"851719"	412.152366	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-2H+Na"	20.974666
"1625626"	412.152366	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Na-2H"	20.974666
"104343"	408.158763	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M-H+Cl"	33.962126
"541716"	603.747613	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M-H+Cl"	33.962126
"928674"	212.569913	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-H+Cl"	33.962126
"267235"	817.324802	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+Cl"	34.969402
"664028"	1208.502502	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+Cl"	34.969402
"1274245"	426.147102	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Cl"	34.969402
"24458"	819.304006	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M-2H+K"	36.948606
"469370"	1210.481706	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M-2H+K"	36.948606
"847548"	428.126306	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-2H+K"	36.948606
"1568602"	428.126306	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+K-2H"	36.948606
"957215"	436.175894	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-H+HCOOH"	44.998194
"376283"	827.353601	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+HCOOH-H"	44.998201
"360854"	841.369251	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+Hac-H"	59.013851
"1507539"	450.191551	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Hac-H"	59.013851
"973862"	458.157851	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-H+NaCOOH"	66.980151
"124956"	426.147102	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+2Cl"	69.938804
"562694"	621.735952	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+2Cl"	69.938804
"1031127"	230.558252	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2Cl"	69.938804
"1249612"	470.096585	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Br"	78.918885
"1312058"	472.152572	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Cl+HCOOH"	80.974872
"1325180"	494.134529	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Cl+NaCOOH"	102.956829
"919522"	504.163286	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M-H+CF3COOH"	112.985586
"1294042"	540.139964	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Cl+CF3COOH"	148.962264
"1374387"	356.165024	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H-2H2O"	-35.012676
"1394069"	374.175	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H-H2O"	-17.0027
"287197"	783.362676	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+H"	1.007276
"679617"	1174.540376	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+H"	1.007276
"1354875"	392.184976	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H"	1.007276
"128859"	392.184976	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+2H"	2.014552
"571697"	587.773826	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+2H"	2.014552
"1049973"	196.596126	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2H"	2.014552
"211685"	261.792409333333	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+3H"	3.021828
"654163"	392.184976	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+3H"	3.021828
"1171558"	131.399842666667	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+3H"	3.021828
"433738"	800.389223	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+NH4"	18.033823
"793641"	1191.566923	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+NH4"	18.033823
"1683410"	409.211523	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+NH4"	18.033823
"340438"	400.6982495	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+H+NH4"	19.041099
"735055"	596.2870995	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+H+NH4"	19.041099
"1486692"	205.1093995	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H+NH4"	19.041099
"398809"	805.344618	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+Na"	22.989218
"767456"	1196.522318	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+Na"	22.989218
"1616526"	414.166918	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Na"	22.989218
"325592"	403.175947	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+H+Na"	23.996494
"713641"	598.764797	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+H+Na"	23.996494
"1465278"	207.587097	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H+Na"	23.996494
"1055606"	138.727156666667	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2H+Na"	25.00377
"1260202"	424.211186	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+CH3OH+H"	33.033486
"378774"	821.318558	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+K"	38.963158
"739039"	1212.496258	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+K"	38.963158
"1541214"	430.140858	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+K"	38.963158
"300455"	411.162917	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+H+K"	39.970434
"694701"	606.751767	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+H+K"	39.970434
"1447427"	215.574067	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H+K"	39.970434
"239309"	824.389226	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+ACN+H"	42.033826
"1215303"	433.211526	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+ACN+H"	42.033826
"1201375"	217.109401	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+ACN+2H"	43.041102
"193151"	827.32656	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+2Na-H"	44.97116
"630525"	1218.50426	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+2Na-H"	44.97116
"1137311"	436.14886	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2Na-H"	44.97116
"181694"	414.166918	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+2Na"	45.978436
"623441"	609.755768	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+2Na"	45.978436
"1124759"	218.578068	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2Na"	45.978436
"1403909"	146.054470666667	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H+2Na"	46.985712
"1441495"	438.190446	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H+HCOOH"	47.012746
"231920"	419.19994	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+3H2O+2H"	56.04448
"1515971"	452.24249	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+IsoProp+H"	61.06479
"421492"	422.153888	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+Na+K"	61.952376
"779570"	617.742738	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+Na+K"	61.952376
"1672986"	226.565038	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Na+K"	61.952376
"262061"	846.371168	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+ACN+Na"	64.015768
"1228938"	455.193468	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+ACN+Na"	64.015768
"1722926"	455.216993	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+NH4+HCOOH"	64.039293
"1186460"	153.381784666667	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+3Na"	68.967654
"1653073"	460.172388	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Na+HCOOH"	68.994688
"160297"	859.27444	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+2K-H"	76.91904
"599495"	1250.45214	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+2K-H"	76.91904
"1086555"	468.09674	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2K-H"	76.91904
"147391"	430.140858	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"2M+2K"	77.926316
"592419"	625.729708	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"3M+2K"	77.926316
"1080212"	234.552008	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2K"	77.926316
"1114153"	470.111292	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2K+H"	78.933592
"1345431"	470.198907	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+DMSO+H"	79.021207
"1019441"	474.238076	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2ACN+H"	83.060376
"1536837"	475.231708	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+IsoProp+Na+H"	84.054008
"1002918"	237.622676	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+2ACN+2H"	84.067652
"1597418"	476.146328	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+K+HCOOH"	84.968628
"1429604"	506.177838	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+H+CF3COOH"	115.000138
"1161024"	258.135951	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+3ACN+2H"	125.094202
"1711668"	523.204385	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+NH4+CF3COOH"	132.026685
"1646223"	528.15978	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+Na+CF3COOH"	136.98208
"1582966"	544.13372	"C02886"	"S-Hexyl-glutathione;S-Hexyl-L-glutathione"	"C16H29N3O6S"	"391.1777"	"M+K+CF3COOH"	152.95602
"806770"	340.0794	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M"	0
"983583"	321.06101	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-H2O-H"	-19.01839
"65269"	225.712324	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M-3H"	-3.021828
"503855"	339.072124	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M-3H"	-3.021828
"880432"	112.352524	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-3H"	-3.021828
"5581"	339.072124	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M-2H"	-2.014552
"440522"	509.111824	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M-2H"	-2.014552
"818442"	169.032424	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-2H"	-2.014552
"81471"	679.151524	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M-H"	-1.007276
"520670"	1019.230924	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M-H"	-1.007276
"905760"	339.072124	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-H"	-1.007276
"54666"	696.178071	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M-2H+NH4"	16.019271
"497507"	1036.257471	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M-2H+NH4"	16.019271
"877497"	356.098671	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-2H+NH4"	16.019271
"38838"	701.133466	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M-2H+Na"	20.974666
"477307"	1041.212866	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M-2H+Na"	20.974666
"855110"	361.054066	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-2H+Na"	20.974666
"1631203"	361.054066	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Na-2H"	20.974666
"108826"	357.060463	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M-H+Cl"	33.962126
"541826"	527.100163	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M-H+Cl"	33.962126
"927687"	187.020763	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-H+Cl"	33.962126
"267820"	715.128202	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+Cl"	34.969402
"665231"	1055.207602	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+Cl"	34.969402
"1275448"	375.048802	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Cl"	34.969402
"24568"	717.107406	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M-2H+K"	36.948606
"470694"	1057.186806	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M-2H+K"	36.948606
"847658"	377.028006	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-2H+K"	36.948606
"1569567"	377.028006	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+K-2H"	36.948606
"957206"	385.077594	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-H+HCOOH"	44.998194
"375907"	725.157001	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+HCOOH-H"	44.998201
"361223"	739.172651	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+Hac-H"	59.013851
"1508429"	399.093251	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Hac-H"	59.013851
"973002"	407.059551	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-H+NaCOOH"	66.980151
"124703"	375.048802	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+2Cl"	69.938804
"563535"	545.088502	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+2Cl"	69.938804
"1030143"	205.009102	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2Cl"	69.938804
"1249720"	418.998285	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Br"	78.918885
"1311074"	421.054272	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Cl+HCOOH"	80.974872
"1325652"	443.036229	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Cl+NaCOOH"	102.956829
"918536"	453.064986	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M-H+CF3COOH"	112.985586
"1295245"	489.041664	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Cl+CF3COOH"	148.962264
"1372311"	305.066724	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H-2H2O"	-35.012676
"1390899"	323.0767	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H-H2O"	-17.0027
"288401"	681.166076	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+H"	1.007276
"678635"	1021.245476	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+H"	1.007276
"1354984"	341.086676	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H"	1.007276
"130062"	341.086676	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+2H"	2.014552
"568892"	511.126376	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+2H"	2.014552
"1047898"	171.046976	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2H"	2.014552
"207420"	227.726876	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+3H"	3.021828
"648075"	341.086676	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+3H"	3.021828
"1163283"	114.367076	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+3H"	3.021828
"424485"	698.192623	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+NH4"	18.033823
"785968"	1038.272023	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+NH4"	18.033823
"1682058"	358.113223	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+NH4"	18.033823
"336175"	349.5999495	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+H+NH4"	19.041099
"736987"	519.6396495	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+H+NH4"	19.041099
"1492023"	179.5602495	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H+NH4"	19.041099
"405473"	703.148018	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+Na"	22.989218
"766475"	1043.227418	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+Na"	22.989218
"1607283"	363.068618	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Na"	22.989218
"324609"	352.077647	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+H+Na"	23.996494
"717031"	522.117347	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+H+Na"	23.996494
"1464292"	182.037947	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H+Na"	23.996494
"1054987"	121.69439	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2H+Na"	25.00377
"1260672"	373.112886	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+CH3OH+H"	33.033486
"381075"	719.121958	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+K"	38.963158
"741337"	1059.201358	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+K"	38.963158
"1540957"	379.042558	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+K"	38.963158
"300565"	360.064617	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+H+K"	39.970434
"692013"	530.104317	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+H+K"	39.970434
"1446929"	190.024917	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H+K"	39.970434
"241606"	722.192626	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+ACN+H"	42.033826
"1212252"	382.113226	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+ACN+H"	42.033826
"1197474"	191.560251	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+ACN+2H"	43.041102
"191073"	725.12996	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+2Na-H"	44.97116
"629535"	1065.20936	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+2Na-H"	44.97116
"1132073"	385.05056	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2Na-H"	44.97116
"174149"	363.068618	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+2Na"	45.978436
"615896"	533.108318	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+2Na"	45.978436
"1119766"	193.028918	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2Na"	45.978436
"1404018"	129.021704	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H+2Na"	46.985712
"1438322"	387.092146	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H+HCOOH"	47.012746
"225832"	368.10164	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+3H2O+2H"	56.04448
"1513894"	401.14419	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+IsoProp+H"	61.06479
"414674"	371.055588	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+Na+K"	61.952376
"773483"	541.095288	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+Na+K"	61.952376
"1672732"	201.015888	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Na+K"	61.952376
"262171"	744.174568	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+ACN+Na"	64.015768
"1233786"	404.095168	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+ACN+Na"	64.015768
"1721942"	404.118693	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+NH4+HCOOH"	64.039293
"1185476"	136.349018	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+3Na"	68.967654
"1652090"	409.074088	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Na+HCOOH"	68.994688
"160041"	757.07784	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+2K-H"	76.91904
"600698"	1097.15724	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+2K-H"	76.91904
"1085937"	416.99844	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2K-H"	76.91904
"145311"	379.042558	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"2M+2K"	77.926316
"587059"	549.082258	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"3M+2K"	77.926316
"1077039"	209.002858	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2K"	77.926316
"1112805"	419.012992	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2K+H"	78.933592
"1343355"	419.100607	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+DMSO+H"	79.021207
"1020279"	423.139776	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2ACN+H"	83.060376
"1535851"	424.133408	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+IsoProp+Na+H"	84.054008
"1003393"	212.073526	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+2ACN+2H"	84.067652
"1597528"	425.048028	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+K+HCOOH"	84.968628
"1429027"	455.079538	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+H+CF3COOH"	115.000138
"1161866"	232.586801	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+3ACN+2H"	125.094202
"1712388"	472.106085	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+NH4+CF3COOH"	132.026685
"1643053"	477.06148	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+Na+CF3COOH"	136.98208
"1583076"	493.03542	"C02887"	"Sinapoyl malate;Sinapoyl-(S)-malate"	"C15H16O9"	"340.0794"	"M+K+CF3COOH"	152.95602
"803600"	260.0297	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"983693"	241.01131	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"67566"	172.345857333333	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"503358"	259.022424	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"880004"	85.6692906666667	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"5691"	259.022424	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"440869"	389.037274	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"819037"	129.007574	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"81580"	519.052124	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"521507"	779.081824	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"902589"	259.022424	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"53683"	536.078671	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"494337"	796.108371	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"874327"	276.048971	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"37855"	541.034066	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"477417"	801.063766	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"857406"	281.004366	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1626938"	281.004366	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"103467"	277.010763	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"538656"	407.025613	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"928895"	146.995913	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"267685"	555.028802	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"660225"	815.058502	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1275558"	294.999102	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"24678"	557.008006	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"470074"	817.037706	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"848013"	296.978306	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1569190"	296.978306	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"957072"	305.027894	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"376786"	565.057601	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"360995"	579.073251	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1508005"	319.043551	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"972624"	327.009851	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"124083"	294.999102	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"563643"	425.013952	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1031711"	164.984252	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1248737"	338.948585	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1311184"	341.004572	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1327586"	362.986529	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"919740"	373.015286	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1298635"	408.991964	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1373515"	225.017024	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1391009"	243.027	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"287419"	521.066676	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"679838"	781.096376	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1354365"	261.036976	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"130172"	261.036976	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"570825"	391.051826	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1045820"	131.022126	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"209717"	174.360409333333	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"649279"	261.036976	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1165217"	87.6838426666667	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"425330"	538.093223	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"785794"	798.122923	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1681601"	278.063523	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"337379"	269.5502495	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"733090"	399.5650995	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1491280"	139.5353995	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"405583"	543.048618	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"766586"	803.078318	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1612496"	283.018918	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"325813"	272.027947	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"716048"	402.042797	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1462819"	142.013097	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054122"	95.0111566666667	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1262608"	293.063186	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"378629"	559.022558	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"739624"	819.052258	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1541313"	298.992858	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"301405"	280.014917	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"693829"	410.029767	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1447282"	150.000067	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"239530"	562.093226	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1214429"	302.063526	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1194665"	151.535401	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"189723"	565.03056	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"630375"	825.06026	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1132056"	305.00086	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"174379"	283.018918	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"614426"	413.033768	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1119876"	153.004068	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1404128"	102.338470666667	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1438432"	307.042446	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"222295"	288.05194	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1511816"	321.09449	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"414784"	291.005888	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"772135"	421.020738	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1672113"	160.991038	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"259728"	584.075168	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1232802"	324.045468	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1719136"	324.068993	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1185585"	109.665784666667	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1652200"	329.024388	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"160150"	596.97844	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"599715"	857.00814	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1086411"	336.94874	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"146514"	298.992858	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"587169"	429.007708	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1073870"	168.978008	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1102705"	338.963292	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1343465"	339.050907	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1020027"	343.090076	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1537782"	344.083708	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1003138"	172.048676	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1598731"	344.998328	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1428409"	375.029838	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1162340"	192.561951	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1712579"	392.056385	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1644256"	397.01178	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1583186"	412.98572	"C02888"	"Sorbose 1-phosphate;L-Sorbose 1P;L-xylo-Hexulose 1-phosphate;L-Sorbose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"806990"	355.1784	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M"	0
"983803"	336.16001	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-H2O-H"	-19.01839
"63667"	235.778324	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M-3H"	-3.021828
"503127"	354.171124	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M-3H"	-3.021828
"879991"	117.385524	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-3H"	-3.021828
"3615"	354.171124	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M-2H"	-2.014552
"440171"	531.760324	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M-2H"	-2.014552
"818176"	176.581924	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-2H"	-2.014552
"80597"	709.349524	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M-H"	-1.007276
"521981"	1064.527924	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M-H"	-1.007276
"901606"	354.171124	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-H"	-1.007276
"55979"	726.376071	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M-2H+NH4"	16.019271
"496634"	1081.554471	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M-2H+NH4"	16.019271
"876624"	371.197671	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-2H+NH4"	16.019271
"36871"	731.331466	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M-2H+Na"	20.974666
"478620"	1086.509866	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M-2H+Na"	20.974666
"857516"	376.153066	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-2H+Na"	20.974666
"1629235"	376.153066	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Na-2H"	20.974666
"102484"	372.159463	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M-H+Cl"	33.962126
"543139"	549.748663	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M-H+Cl"	33.962126
"928154"	194.570263	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-H+Cl"	33.962126
"267554"	745.326202	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+Cl"	34.969402
"660138"	1100.504602	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+Cl"	34.969402
"1276761"	390.147802	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Cl"	34.969402
"24788"	747.305406	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M-2H+K"	36.948606
"470183"	1102.483806	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M-2H+K"	36.948606
"847262"	392.127006	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-2H+K"	36.948606
"1571268"	392.127006	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+K-2H"	36.948606
"957180"	400.176594	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-H+HCOOH"	44.998194
"375393"	755.355001	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+HCOOH-H"	44.998201
"360250"	769.370651	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+Hac-H"	59.013851
"1506286"	414.192251	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Hac-H"	59.013851
"970546"	422.158551	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-H+NaCOOH"	66.980151
"122006"	390.147802	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+2Cl"	69.938804
"563024"	567.737002	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+2Cl"	69.938804
"1032549"	212.558602	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2Cl"	69.938804
"1247754"	434.097285	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Br"	78.918885
"1314574"	436.153272	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Cl+HCOOH"	80.974872
"1327696"	458.135229	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Cl+NaCOOH"	102.956829
"922037"	468.163986	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M-H+CF3COOH"	112.985586
"1297652"	504.140664	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Cl+CF3COOH"	148.962264
"1374719"	320.165724	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H-2H2O"	-35.012676
"1393306"	338.1757	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H-H2O"	-17.0027
"289715"	711.364076	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+H"	1.007276
"678855"	1066.542476	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+H"	1.007276
"1354110"	356.185676	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H"	1.007276
"131376"	356.185676	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+2H"	2.014552
"570936"	533.774876	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+2H"	2.014552
"1047024"	178.596476	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2H"	2.014552
"212014"	237.792876	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+3H"	3.021828
"647202"	356.185676	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+3H"	3.021828
"1165327"	119.400076	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+3H"	3.021828
"424831"	728.390623	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+NH4"	18.033823
"786676"	1083.569023	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+NH4"	18.033823
"1681549"	373.212223	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+NH4"	18.033823
"334209"	364.6989495	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+H+NH4"	19.041099
"736479"	542.2881495	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+H+NH4"	19.041099
"1489204"	187.1097495	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H+NH4"	19.041099
"404601"	733.346018	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+Na"	22.989218
"766697"	1088.524418	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+Na"	22.989218
"1614793"	378.167618	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Na"	22.989218
"328961"	367.176647	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+H+Na"	23.996494
"720533"	544.765847	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+H+Na"	23.996494
"1462929"	189.587447	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H+Na"	23.996494
"1057030"	126.72739	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2H+Na"	25.00377
"1264905"	388.211886	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+CH3OH+H"	33.033486
"378741"	749.319958	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+K"	38.963158
"739735"	1104.498358	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+K"	38.963158
"1543247"	394.141558	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+K"	38.963158
"302609"	375.163617	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+H+K"	39.970434
"695030"	552.752817	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+H+K"	39.970434
"1446661"	197.574417	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H+K"	39.970434
"237452"	752.390626	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+ACN+H"	42.033826
"1215632"	397.212226	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+ACN+H"	42.033826
"1195384"	199.109751	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+ACN+2H"	43.041102
"189224"	755.32796	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+2Na-H"	44.97116
"629266"	1110.50636	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+2Na-H"	44.97116
"1132166"	400.14956	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2Na-H"	44.97116
"173310"	378.167618	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+2Na"	45.978436
"613076"	555.756818	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+2Na"	45.978436
"1117677"	200.578418	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2Na"	45.978436
"1401200"	134.054704	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H+2Na"	46.985712
"1434168"	402.191146	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H+HCOOH"	47.012746
"223863"	383.20064	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+3H2O+2H"	56.04448
"1510103"	416.24319	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+IsoProp+H"	61.06479
"410519"	386.154588	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+Na+K"	61.952376
"774067"	563.743788	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+Na+K"	61.952376
"1667847"	208.565388	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Na+K"	61.952376
"255097"	774.372568	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+ACN+Na"	64.015768
"1228898"	419.194168	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+ACN+Na"	64.015768
"1718152"	419.217693	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+NH4+HCOOH"	64.039293
"1178964"	141.382018	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+3Na"	68.967654
"1653403"	424.173088	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Na+HCOOH"	68.994688
"157381"	787.27584	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+2K-H"	76.91904
"598367"	1142.45424	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+2K-H"	76.91904
"1084532"	432.09744	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2K-H"	76.91904
"145895"	394.141558	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"2M+2K"	77.926316
"585093"	571.730758	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"3M+2K"	77.926316
"1073980"	216.552358	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2K"	77.926316
"1102815"	434.111992	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2K+H"	78.933592
"1342482"	434.199607	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+DMSO+H"	79.021207
"1020501"	438.238776	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2ACN+H"	83.060376
"1537893"	439.232408	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+IsoProp+Na+H"	84.054008
"1003976"	219.623026	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+2ACN+2H"	84.067652
"1597748"	440.147028	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+K+HCOOH"	84.968628
"1429572"	470.178538	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+H+CF3COOH"	115.000138
"1162615"	240.136301	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+3ACN+2H"	125.094202
"1711758"	487.205085	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+NH4+CF3COOH"	132.026685
"1644366"	492.16048	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+Na+CF3COOH"	136.98208
"1583296"	508.13442	"C02890"	"Tetrahydropalmatine;(S)-Tetrahydropalmatine"	"C21H25NO4"	"355.1784"	"M+K+CF3COOH"	152.95602
"803820"	279.0916	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M"	0
"983913"	260.07321	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-H2O-H"	-19.01839
"63092"	185.053790666667	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M-3H"	-3.021828
"503123"	278.084324	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M-3H"	-3.021828
"880191"	92.0232573333333	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-3H"	-3.021828
"232"	278.084324	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M-2H"	-2.014552
"441455"	417.630124	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M-2H"	-2.014552
"819984"	138.538524	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-2H"	-2.014552
"79976"	557.175924	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M-H"	-1.007276
"522820"	836.267524	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M-H"	-1.007276
"902808"	278.084324	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-H"	-1.007276
"53902"	574.202471	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M-2H+NH4"	16.019271
"493462"	853.294071	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M-2H+NH4"	16.019271
"871264"	295.110871	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-2H+NH4"	16.019271
"33701"	579.157866	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M-2H+Na"	20.974666
"473263"	858.249466	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M-2H+Na"	20.974666
"853251"	300.066266	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-2H+Na"	20.974666
"1627158"	300.066266	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Na-2H"	20.974666
"100407"	296.072663	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M-H+Cl"	33.962126
"542156"	435.618463	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M-H+Cl"	33.962126
"927159"	156.526863	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-H+Cl"	33.962126
"267541"	593.152602	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+Cl"	34.969402
"660041"	872.244202	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+Cl"	34.969402
"1279059"	314.061002	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Cl"	34.969402
"24898"	595.131806	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M-2H+K"	36.948606
"467377"	874.223406	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M-2H+K"	36.948606
"847373"	316.040206	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-2H+K"	36.948606
"1571097"	316.040206	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+K-2H"	36.948606
"957286"	324.089794	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-H+HCOOH"	44.998194
"374774"	603.181401	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+HCOOH-H"	44.998201
"361353"	617.197051	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+Hac-H"	59.013851
"1507125"	338.105451	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Hac-H"	59.013851
"973819"	346.071751	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-H+NaCOOH"	66.980151
"123574"	314.061002	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+2Cl"	69.938804
"563864"	453.606802	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+2Cl"	69.938804
"1032294"	174.515202	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2Cl"	69.938804
"1246770"	358.010485	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Br"	78.918885
"1313590"	360.066472	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Cl+HCOOH"	80.974872
"1326713"	382.048429	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Cl+NaCOOH"	102.956829
"923241"	392.077186	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M-H+CF3COOH"	112.985586
"1296670"	428.053864	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Cl+CF3COOH"	148.962264
"1378108"	244.078924	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H-2H2O"	-35.012676
"1394511"	262.0889	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H-H2O"	-17.0027
"289825"	559.190476	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+H"	1.007276
"680059"	838.282076	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+H"	1.007276
"1353491"	280.098876	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H"	1.007276
"131486"	280.098876	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+2H"	2.014552
"571045"	419.644676	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+2H"	2.014552
"1046404"	140.553076	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2H"	2.014552
"207750"	187.068342666667	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+3H"	3.021828
"650592"	280.098876	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+3H"	3.021828
"1165437"	94.0378093333334	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+3H"	3.021828
"425062"	576.217023	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+NH4"	18.033823
"786663"	855.308623	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+NH4"	18.033823
"1682065"	297.125423	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+NH4"	18.033823
"334319"	288.6121495	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+H+NH4"	19.041099
"736589"	428.1579495	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+H+NH4"	19.041099
"1489315"	149.0663495	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H+NH4"	19.041099
"402523"	581.172418	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+Na"	22.989218
"762431"	860.264018	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+Na"	22.989218
"1613807"	302.080818	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Na"	22.989218
"328097"	291.089847	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+H+Na"	23.996494
"718454"	430.635647	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+H+Na"	23.996494
"1471183"	151.544047	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H+Na"	23.996494
"1056043"	101.365123333333	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2H+Na"	25.00377
"1260638"	312.125086	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+CH3OH+H"	33.033486
"380309"	597.146358	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+K"	38.963158
"741667"	876.237958	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+K"	38.963158
"1545542"	318.054758	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+K"	38.963158
"303814"	299.076817	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+H+K"	39.970434
"693680"	438.622617	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+H+K"	39.970434
"1445641"	159.531017	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H+K"	39.970434
"236469"	600.217026	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+ACN+H"	42.033826
"1213556"	321.125426	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+ACN+H"	42.033826
"1194221"	161.066351	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+ACN+2H"	43.041102
"188614"	603.15436	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+2Na-H"	44.97116
"629129"	882.24596	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+2Na-H"	44.97116
"1131541"	324.06276	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2Na-H"	44.97116
"172875"	302.080818	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+2Na"	45.978436
"614281"	441.626618	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+2Na"	45.978436
"1115834"	162.535018	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2Na"	45.978436
"1398834"	108.692437333333	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H+2Na"	46.985712
"1435371"	326.104346	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H+HCOOH"	47.012746
"220030"	307.11384	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+3H2O+2H"	56.04448
"1508489"	340.15639	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+IsoProp+H"	61.06479
"408568"	310.067788	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+Na+K"	61.952376
"770406"	449.613588	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+Na+K"	61.952376
"1668685"	170.521988	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Na+K"	61.952376
"254112"	622.198968	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+ACN+Na"	64.015768
"1230102"	343.107368	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+ACN+Na"	64.015768
"1720448"	343.130893	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+NH4+HCOOH"	64.039293
"1184709"	116.019751333333	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+3Na"	68.967654
"1651688"	348.086288	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Na+HCOOH"	68.994688
"159276"	635.10224	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+2K-H"	76.91904
"599934"	914.19384	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+2K-H"	76.91904
"1087358"	356.01064	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2K-H"	76.91904
"146732"	318.054758	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"2M+2K"	77.926316
"585203"	457.600558	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"3M+2K"	77.926316
"1071903"	178.508958	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2K"	77.926316
"1102925"	358.025192	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2K+H"	78.933592
"1340405"	358.112807	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+DMSO+H"	79.021207
"1020814"	362.151976	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2ACN+H"	83.060376
"1539096"	363.145608	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+IsoProp+Na+H"	84.054008
"1004449"	181.579626	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+2ACN+2H"	84.067652
"1601137"	364.060228	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+K+HCOOH"	84.968628
"1429597"	394.091738	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+H+CF3COOH"	115.000138
"1161464"	202.092901	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+3ACN+2H"	125.094202
"1709921"	411.118285	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+NH4+CF3COOH"	132.026685
"1644476"	416.07368	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+Na+CF3COOH"	136.98208
"1583406"	432.04762	"C02892"	"Thiamine acetic acid;Thiamin acetic acid"	"C12H15N4O2S"	"279.0916"	"M+K+CF3COOH"	152.95602
"803930"	100.0888	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M"	0
"984023"	81.07041	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-H2O-H"	-19.01839
"63439"	65.7185906666667	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M-3H"	-3.021828
"503439"	99.081524	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M-3H"	-3.021828
"880052"	32.3556573333333	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-3H"	-3.021828
"427"	99.081524	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M-2H"	-2.014552
"441200"	149.125924	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M-2H"	-2.014552
"818393"	49.037124	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-2H"	-2.014552
"80450"	199.170324	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M-H"	-1.007276
"521837"	299.259124	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M-H"	-1.007276
"899638"	99.081524	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-H"	-1.007276
"51095"	216.196871	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M-2H+NH4"	16.019271
"489562"	316.285671	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M-2H+NH4"	16.019271
"870281"	116.108071	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-2H+NH4"	16.019271
"32717"	221.152266	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M-2H+Na"	20.974666
"473008"	321.241066	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M-2H+Na"	20.974666
"852269"	121.063466	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-2H+Na"	20.974666
"1627268"	121.063466	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Na-2H"	20.974666
"108171"	117.069863	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M-H+Cl"	33.962126
"544452"	167.114263	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M-H+Cl"	33.962126
"927641"	67.025463	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-H+Cl"	33.962126
"268016"	235.147002	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+Cl"	34.969402
"660926"	335.235802	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+Cl"	34.969402
"1280262"	135.058202	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Cl"	34.969402
"25008"	237.126206	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M-2H+K"	36.948606
"466029"	337.215006	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M-2H+K"	36.948606
"846026"	137.037406	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-2H+K"	36.948606
"1569519"	137.037406	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+K-2H"	36.948606
"955574"	145.086994	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-H+HCOOH"	44.998194
"374156"	245.175801	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+HCOOH-H"	44.998201
"359133"	259.191451	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+Hac-H"	59.013851
"1507724"	159.102651	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Hac-H"	59.013851
"972591"	167.068951	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-H+NaCOOH"	66.980151
"124413"	135.058202	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+2Cl"	69.938804
"564338"	185.102602	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+2Cl"	69.938804
"1032768"	85.013802	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2Cl"	69.938804
"1250160"	179.007685	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Br"	78.918885
"1313701"	181.063672	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Cl+HCOOH"	80.974872
"1326823"	203.045629	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Cl+NaCOOH"	102.956829
"924080"	213.074386	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M-H+CF3COOH"	112.985586
"1300058"	249.051064	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Cl+CF3COOH"	148.962264
"1378948"	65.076124	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H-2H2O"	-35.012676
"1396808"	83.0861	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H-H2O"	-17.0027
"288842"	201.184876	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+H"	1.007276
"681262"	301.273676	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+H"	1.007276
"1355423"	101.096076	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H"	1.007276
"132689"	101.096076	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+2H"	2.014552
"570062"	151.140476	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+2H"	2.014552
"1045420"	51.051676	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2H"	2.014552
"206888"	67.7331426666667	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+3H"	3.021828
"650702"	101.096076	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+3H"	3.021828
"1165547"	34.3702093333333	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+3H"	3.021828
"425051"	218.211423	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+NH4"	18.033823
"786894"	318.300223	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+NH4"	18.033823
"1681648"	118.122623	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+NH4"	18.033823
"330166"	109.6093495	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+H+NH4"	19.041099
"723443"	159.6537495	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+H+NH4"	19.041099
"1486137"	59.5649495	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H+NH4"	19.041099
"399352"	223.166818	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+Na"	22.989218
"767642"	323.255618	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+Na"	22.989218
"1612823"	123.078018	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Na"	22.989218
"325048"	112.087047	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+H+Na"	23.996494
"721847"	162.131447	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+H+Na"	23.996494
"1470200"	62.042647	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H+Na"	23.996494
"1056154"	41.6975233333333	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2H+Na"	25.00377
"1261841"	133.122286	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+CH3OH+H"	33.033486
"380417"	239.140758	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+K"	38.963158
"745786"	339.229558	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+K"	38.963158
"1544558"	139.051958	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+K"	38.963158
"302829"	120.074017	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+H+K"	39.970434
"691967"	170.118417	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+H+K"	39.970434
"1445827"	70.029617	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H+K"	39.970434
"236213"	242.211426	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+ACN+H"	42.033826
"1213666"	142.122626	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+ACN+H"	42.033826
"1194389"	71.564951	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+ACN+2H"	43.041102
"189320"	245.14876	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+2Na-H"	44.97116
"629361"	345.23756	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+2Na-H"	44.97116
"1131733"	145.05996	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2Na-H"	44.97116
"173117"	123.078018	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+2Na"	45.978436
"612953"	173.122418	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+2Na"	45.978436
"1116435"	73.033618	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2Na"	45.978436
"1401177"	49.0248373333333	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H+2Na"	46.985712
"1430336"	147.101546	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H+HCOOH"	47.012746
"220010"	128.11104	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+3H2O+2H"	56.04448
"1508659"	161.15359	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+IsoProp+H"	61.06479
"408792"	131.064988	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+Na+K"	61.952376
"770153"	181.109388	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+Na+K"	61.952376
"1665681"	81.020588	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Na+K"	61.952376
"251666"	264.193368	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+ACN+Na"	64.015768
"1226930"	164.104568	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+ACN+Na"	64.015768
"1718370"	164.128093	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+NH4+HCOOH"	64.039293
"1184820"	56.3521513333333	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+3Na"	68.967654
"1652891"	169.083488	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Na+HCOOH"	68.994688
"159022"	277.09664	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+2K-H"	76.91904
"600408"	377.18544	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+2K-H"	76.91904
"1085281"	177.00784	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2K-H"	76.91904
"145748"	139.051958	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"2M+2K"	77.926316
"585313"	189.096358	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"3M+2K"	77.926316
"1072010"	89.007558	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2K"	77.926316
"1103035"	179.022392	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2K+H"	78.933592
"1339422"	179.110007	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+DMSO+H"	79.021207
"1021082"	183.149176	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2ACN+H"	83.060376
"1539206"	184.142808	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+IsoProp+Na+H"	84.054008
"1002008"	92.078226	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+2ACN+2H"	84.067652
"1599061"	185.057428	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+K+HCOOH"	84.968628
"1428614"	215.088938	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+H+CF3COOH"	115.000138
"1161453"	112.591501	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+3ACN+2H"	125.094202
"1710031"	232.115485	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+NH4+CF3COOH"	132.026685
"1644586"	237.07088	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+Na+CF3COOH"	136.98208
"1583516"	253.04482	"C02893"	"Unsaturated alcohol"	"C6H12O"	"100.0888"	"M+K+CF3COOH"	152.95602
"813881"	583.0719	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M"	0
"983040"	564.05351	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-H2O-H"	-19.01839
"72380"	387.707324	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M-3H"	-3.021828
"503192"	582.064624	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M-3H"	-3.021828
"880509"	193.350024	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-3H"	-3.021828
"1145"	582.064624	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M-2H"	-2.014552
"443499"	873.600574	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M-2H"	-2.014552
"819116"	290.528674	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-2H"	-2.014552
"81295"	1165.136524	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M-H"	-1.007276
"521948"	1748.208424	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M-H"	-1.007276
"903030"	582.064624	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-H"	-1.007276
"56310"	1182.163071	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M-2H+NH4"	16.019271
"498058"	1765.234971	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M-2H+NH4"	16.019271
"872580"	599.091171	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-2H+NH4"	16.019271
"37204"	1187.118466	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M-2H+Na"	20.974666
"477859"	1770.190366	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M-2H+Na"	20.974666
"857848"	604.046566	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-2H+Na"	20.974666
"1631753"	604.046566	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Na-2H"	20.974666
"106097"	600.052963	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M-H+Cl"	33.962126
"546751"	891.588913	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M-H+Cl"	33.962126
"929333"	308.517013	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-H+Cl"	33.962126
"270080"	1201.113202	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+Cl"	34.969402
"670156"	1784.185102	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+Cl"	34.969402
"1282926"	618.041302	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Cl"	34.969402
"30224"	1203.092406	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M-2H+K"	36.948606
"467963"	1786.164306	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M-2H+K"	36.948606
"847837"	620.020506	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-2H+K"	36.948606
"1570476"	620.020506	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+K-2H"	36.948606
"954961"	628.070094	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-H+HCOOH"	44.998194
"376093"	1211.142001	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+HCOOH-H"	44.998201
"360701"	1225.157651	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+Hac-H"	59.013851
"1508078"	642.085751	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Hac-H"	59.013851
"972335"	650.052051	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-H+NaCOOH"	66.980151
"124521"	618.041302	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+2Cl"	69.938804
"564814"	909.577252	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+2Cl"	69.938804
"1036653"	326.505352	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2Cl"	69.938804
"1256349"	661.990785	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Br"	78.918885
"1319845"	664.046772	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Cl+HCOOH"	80.974872
"1332767"	686.028729	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Cl+NaCOOH"	102.956829
"923461"	696.057486	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M-H+CF3COOH"	112.985586
"1300168"	732.034164	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Cl+CF3COOH"	148.962264
"1380883"	548.059224	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H-2H2O"	-35.012676
"1397649"	566.0692	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H-H2O"	-17.0027
"293326"	1167.151076	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+H"	1.007276
"687569"	1750.222976	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+H"	1.007276
"1361366"	584.079176	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H"	1.007276
"136079"	584.079176	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+2H"	2.014552
"572357"	875.615126	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+2H"	2.014552
"1051000"	292.543226	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2H"	2.014552
"218171"	389.721876	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+3H"	3.021828
"651900"	584.079176	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+3H"	3.021828
"1167843"	195.364576	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+3H"	3.021828
"425162"	1184.177623	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+NH4"	18.033823
"787127"	1767.249523	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+NH4"	18.033823
"1681392"	601.105723	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+NH4"	18.033823
"330043"	592.5924495	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+H+NH4"	19.041099
"722959"	884.1283995	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+H+NH4"	19.041099
"1486247"	301.0564995	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H+NH4"	19.041099
"400555"	1189.133018	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+Na"	22.989218
"769879"	1772.204918	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+Na"	22.989218
"1616824"	606.061118	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Na"	22.989218
"329661"	595.070147	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+H+Na"	23.996494
"722202"	886.606097	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+H+Na"	23.996494
"1476267"	303.534197	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H+Na"	23.996494
"1061367"	202.69189	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2H+Na"	25.00377
"1265234"	616.105386	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+CH3OH+H"	33.033486
"382716"	1205.106958	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+K"	38.963158
"745898"	1788.178858	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+K"	38.963158
"1547950"	622.035058	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+K"	38.963158
"302939"	603.057117	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+H+K"	39.970434
"692442"	894.593067	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+H+K"	39.970434
"1446262"	311.521167	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H+K"	39.970434
"236687"	1208.177626	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+ACN+H"	42.033826
"1211588"	625.105726	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+ACN+H"	42.033826
"1196566"	313.056501	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+ACN+2H"	43.041102
"189304"	1211.11496	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+2Na-H"	44.97116
"629155"	1794.18686	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+2Na-H"	44.97116
"1131767"	628.04306	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2Na-H"	44.97116
"174331"	606.061118	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+2Na"	45.978436
"617539"	897.597068	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+2Na"	45.978436
"1117764"	314.525168	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2Na"	45.978436
"1404568"	210.019204	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H+2Na"	46.985712
"1437779"	630.084646	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H+HCOOH"	47.012746
"221154"	611.09414	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+3H2O+2H"	56.04448
"1510070"	644.13669	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+IsoProp+H"	61.06479
"410849"	614.048088	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+Na+K"	61.952376
"774033"	905.584038	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+Na+K"	61.952376
"1667085"	322.512138	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Na+K"	61.952376
"252511"	1230.159568	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+ACN+Na"	64.015768
"1227405"	647.087668	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+ACN+Na"	64.015768
"1716293"	647.111193	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+NH4+HCOOH"	64.039293
"1178609"	217.346518	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+3Na"	68.967654
"1652639"	652.066588	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Na+HCOOH"	68.994688
"158768"	1243.06284	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+2K-H"	76.91904
"600157"	1826.13474	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+2K-H"	76.91904
"1091231"	659.99094	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2K-H"	76.91904
"144765"	622.035058	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"2M+2K"	77.926316
"586514"	913.571008	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"3M+2K"	77.926316
"1071389"	330.499108	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2K"	77.926316
"1102052"	662.005492	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2K+H"	78.933592
"1336492"	662.093107	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+DMSO+H"	79.021207
"1020097"	666.132276	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2ACN+H"	83.060376
"1537492"	667.125908	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+IsoProp+Na+H"	84.054008
"1002116"	333.569776	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+2ACN+2H"	84.067652
"1599900"	668.040528	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+K+HCOOH"	84.968628
"1429816"	698.072038	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+H+CF3COOH"	115.000138
"1162294"	354.083051	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+3ACN+2H"	125.094202
"1712452"	715.098585	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+NH4+CF3COOH"	132.026685
"1644696"	720.05398	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+Na+CF3COOH"	136.98208
"1583626"	736.02792	"C02894"	"Watasenia luciferin"	"C26H21N3O9S2"	"583.0719"	"M+K+CF3COOH"	152.95602
"804150"	232.0348	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M"	0
"982057"	213.01641	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H2O-H"	-19.01839
"73584"	153.682590666667	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-3H"	-3.021828
"507678"	231.027524	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-3H"	-3.021828
"888760"	76.3376573333333	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-3H"	-3.021828
"3322"	231.027524	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H"	-2.014552
"441423"	347.044924	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H"	-2.014552
"818863"	115.010124	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H"	-2.014552
"83594"	463.062324	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-H"	-1.007276
"520969"	695.097124	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-H"	-1.007276
"898770"	231.027524	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H"	-1.007276
"57517"	480.088871	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+NH4"	16.019271
"497077"	712.123671	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+NH4"	16.019271
"871599"	248.054071	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+NH4"	16.019271
"41688"	485.044266	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+Na"	20.974666
"483436"	717.079066	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+Na"	20.974666
"860146"	253.009466	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+Na"	20.974666
"1633810"	253.009466	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na-2H"	20.974666
"107300"	249.015863	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-H+Cl"	33.962126
"548565"	365.033263	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-H+Cl"	33.962126
"932724"	132.998463	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+Cl"	33.962126
"272377"	499.039002	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Cl"	34.969402
"669174"	731.073802	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+Cl"	34.969402
"1279389"	267.004202	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl"	34.969402
"30699"	501.018206	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+K"	36.948606
"469896"	733.053006	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+K"	36.948606
"846243"	268.983406	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+K"	36.948606
"1570585"	268.983406	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K-2H"	36.948606
"956893"	277.032994	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+HCOOH"	44.998194
"374380"	509.067801	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+HCOOH-H"	44.998201
"358625"	523.083451	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Hac-H"	59.013851
"1505998"	291.048651	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Hac-H"	59.013851
"972807"	299.014951	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+NaCOOH"	66.980151
"122809"	267.004202	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Cl"	69.938804
"563104"	383.021602	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Cl"	69.938804
"1035790"	150.986802	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2Cl"	69.938804
"1256093"	310.953685	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Br"	78.918885
"1318662"	313.009672	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+HCOOH"	80.974872
"1335066"	334.991629	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+NaCOOH"	102.956829
"924664"	345.020386	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+CF3COOH"	112.985586
"1301737"	380.997064	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+CF3COOH"	148.962264
"1382291"	197.022124	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H-2H2O"	-35.012676
"1398401"	215.0321	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H-H2O"	-17.0027
"291249"	465.076876	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H"	1.007276
"688044"	697.111676	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H"	1.007276
"1364028"	233.042076	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H"	1.007276
"134730"	233.042076	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2H"	2.014552
"571374"	349.059476	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2H"	2.014552
"1051475"	117.024676	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2H"	2.014552
"216820"	155.697142666667	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H"	3.021828
"655291"	233.042076	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+3H"	3.021828
"1174147"	78.3522093333333	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+3H"	3.021828
"427943"	482.103423	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+NH4"	18.033823
"787842"	714.138223	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+NH4"	18.033823
"1682352"	250.068623	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4"	18.033823
"331365"	241.5553495	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+NH4"	19.041099
"729253"	357.5727495	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+NH4"	19.041099
"1486357"	125.5379495	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+NH4"	19.041099
"396291"	487.058818	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na"	22.989218
"769320"	719.093618	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na"	22.989218
"1614869"	255.024018	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na"	22.989218
"324176"	244.033047	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+Na"	23.996494
"717691"	360.050447	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+Na"	23.996494
"1475890"	128.015647	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+Na"	23.996494
"1065856"	85.6795233333333	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2H+Na"	25.00377
"1269720"	265.068286	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+CH3OH+H"	33.033486
"385014"	503.032758	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+K"	38.963158
"744915"	735.067558	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+K"	38.963158
"1545872"	270.997958	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K"	38.963158
"305237"	252.020017	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+K"	39.970434
"696562"	368.037417	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+K"	39.970434
"1449289"	136.002617	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+K"	39.970434
"238619"	506.103426	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+H"	42.033826
"1211698"	274.068626	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+H"	42.033826
"1196676"	137.537951	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+2H"	43.041102
"190274"	509.04076	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na-H"	44.97116
"631657"	741.07556	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na-H"	44.97116
"1134799"	277.00596	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na-H"	44.97116
"182464"	255.024018	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na"	45.978436
"622024"	371.041418	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na"	45.978436
"1127717"	139.006618	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na"	45.978436
"1410147"	93.0068373333333	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+2Na"	46.985712
"1442265"	279.047546	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+HCOOH"	47.012746
"227584"	260.05704	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H2O+2H"	56.04448
"1512366"	293.09959	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+H"	61.06479
"414239"	263.010988	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na+K"	61.952376
"776329"	379.028388	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na+K"	61.952376
"1669381"	146.993588	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+K"	61.952376
"252621"	528.085368	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+Na"	64.015768
"1230796"	296.050568	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+Na"	64.015768
"1718590"	296.074093	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+HCOOH"	64.039293
"1180663"	100.334151333333	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+3Na"	68.967654
"1650562"	301.029488	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+HCOOH"	68.994688
"159608"	540.98864	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K-H"	76.91904
"598802"	773.02344	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K-H"	76.91904
"1091341"	308.95384	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2K-H"	76.91904
"152171"	270.997958	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K"	77.926316
"591002"	387.015358	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K"	77.926316
"1074420"	154.980558	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2K"	77.926316
"1102162"	310.968392	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2K+H"	78.933592
"1335993"	311.056007	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+DMSO+H"	79.021207
"1016195"	315.095176	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+H"	83.060376
"1531766"	316.088808	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+Na+H"	84.054008
"999309"	158.051226	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+2H"	84.067652
"1599280"	317.003428	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K+HCOOH"	84.968628
"1426039"	347.034938	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+CF3COOH"	115.000138
"1160702"	178.564501	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+3ACN+2H"	125.094202
"1710252"	364.061485	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+CF3COOH"	132.026685
"1644806"	369.01688	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+CF3COOH"	136.98208
"1583736"	384.99082	"C02895"	"Xylitol 5-phosphate;D-Xylitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K+CF3COOH"	152.95602
"807545"	338.163	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M"	0
"977798"	319.14461	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-H2O-H"	-19.01839
"64943"	224.434724	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M-3H"	-3.021828
"506688"	337.155724	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M-3H"	-3.021828
"882670"	111.713724	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-3H"	-3.021828
"5617"	337.155724	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M-2H"	-2.014552
"445178"	506.237224	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M-2H"	-2.014552
"821889"	168.074224	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-2H"	-2.014552
"83703"	675.318724	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M-H"	-1.007276
"521805"	1013.481724	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M-H"	-1.007276
"904345"	337.155724	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-H"	-1.007276
"57626"	692.345271	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M-2H+NH4"	16.019271
"494999"	1030.508271	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M-2H+NH4"	16.019271
"874990"	354.182271	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-2H+NH4"	16.019271
"37425"	697.300666	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M-2H+Na"	20.974666
"483546"	1035.463666	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M-2H+Na"	20.974666
"856975"	359.137666	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-2H+Na"	20.974666
"1631974"	359.137666	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Na-2H"	20.974666
"95385"	355.144063	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M-H+Cl"	33.962126
"537134"	524.225563	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M-H+Cl"	33.962126
"931743"	186.062563	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-H+Cl"	33.962126
"273582"	711.295402	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+Cl"	34.969402
"675170"	1049.458402	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+Cl"	34.969402
"1288358"	373.132402	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Cl"	34.969402
"31301"	713.274606	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M-2H+K"	36.948606
"470745"	1051.437606	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M-2H+K"	36.948606
"846356"	375.111606	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-2H+K"	36.948606
"1570213"	375.111606	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+K-2H"	36.948606
"957326"	383.161194	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-H+HCOOH"	44.998194
"375582"	721.324201	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+HCOOH-H"	44.998201
"357644"	735.339851	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+Hac-H"	59.013851
"1507197"	397.176851	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Hac-H"	59.013851
"972186"	405.143151	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-H+NaCOOH"	66.980151
"122915"	373.132402	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+2Cl"	69.938804
"561017"	542.213902	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+2Cl"	69.938804
"1034555"	204.050902	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2Cl"	69.938804
"1254499"	417.081885	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Br"	78.918885
"1316216"	419.137872	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Cl+HCOOH"	80.974872
"1329338"	441.119829	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Cl+NaCOOH"	102.956829
"919306"	451.148586	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M-H+CF3COOH"	112.985586
"1294920"	487.125264	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Cl+CF3COOH"	148.962264
"1376361"	303.150324	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H-2H2O"	-35.012676
"1388391"	321.1603	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H-H2O"	-17.0027
"288080"	677.333276	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+H"	1.007276
"681593"	1015.496276	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+H"	1.007276
"1355754"	339.170276	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H"	1.007276
"129738"	339.170276	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+2H"	2.014552
"570391"	508.251776	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+2H"	2.014552
"1037734"	170.088776	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2H"	2.014552
"205029"	226.449276	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+3H"	3.021828
"644383"	339.170276	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+3H"	3.021828
"1163930"	113.728276	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+3H"	3.021828
"426957"	694.359823	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+NH4"	18.033823
"787222"	1032.522823	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+NH4"	18.033823
"1681329"	356.196823	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+NH4"	18.033823
"338040"	347.6835495	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+H+NH4"	19.041099
"737030"	516.7650495	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+H+NH4"	19.041099
"1488666"	178.6020495	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H+NH4"	19.041099
"405157"	699.315218	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+Na"	22.989218
"768341"	1037.478218	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+Na"	22.989218
"1617531"	361.152218	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Na"	22.989218
"329435"	350.161247	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+H+Na"	23.996494
"719990"	519.242747	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+H+Na"	23.996494
"1467251"	181.079747	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H+Na"	23.996494
"1063775"	121.05559	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2H+Na"	25.00377
"1269465"	371.196486	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+CH3OH+H"	33.033486
"388403"	715.289158	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+K"	38.963158
"747210"	1053.452158	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+K"	38.963158
"1543794"	377.126158	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+K"	38.963158
"304252"	358.148217	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+H+K"	39.970434
"697766"	527.229717	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+H+K"	39.970434
"1449398"	189.066717	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H+K"	39.970434
"236546"	718.359826	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+ACN+H"	42.033826
"1212901"	380.196826	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+ACN+H"	42.033826
"1197878"	190.602051	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+ACN+2H"	43.041102
"191114"	721.29716	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+2Na-H"	44.97116
"632496"	1059.46016	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+2Na-H"	44.97116
"1138189"	383.13416	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2Na-H"	44.97116
"180386"	361.152218	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+2Na"	45.978436
"623228"	530.233718	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+2Na"	45.978436
"1126735"	192.070718	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2Na"	45.978436
"1411351"	128.382904	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H+2Na"	46.985712
"1443469"	385.175746	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H+HCOOH"	47.012746
"234256"	366.18524	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+3H2O+2H"	56.04448
"1516849"	399.22779	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+IsoProp+H"	61.06479
"417630"	369.139188	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+Na+K"	61.952376
"779720"	538.220688	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+Na+K"	61.952376
"1678238"	200.057688	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Na+K"	61.952376
"257105"	740.341768	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+ACN+Na"	64.015768
"1232000"	402.178768	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+ACN+Na"	64.015768
"1719794"	402.202293	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+NH4+HCOOH"	64.039293
"1179682"	135.710218	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+3Na"	68.967654
"1650914"	407.157688	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Na+HCOOH"	68.994688
"165192"	753.24504	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+2K-H"	76.91904
"606941"	1091.40804	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+2K-H"	76.91904
"1093639"	415.08204	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2K-H"	76.91904
"153377"	377.126158	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"2M+2K"	77.926316
"592203"	546.207658	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"3M+2K"	77.926316
"1070279"	208.044658	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2K"	77.926316
"1112849"	417.096592	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2K+H"	78.933592
"1341940"	417.184207	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+DMSO+H"	79.021207
"1018858"	421.223376	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2ACN+H"	83.060376
"1535159"	422.217008	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+IsoProp+Na+H"	84.054008
"1002339"	211.115326	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+2ACN+2H"	84.067652
"1599391"	423.131628	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+K+HCOOH"	84.968628
"1427241"	453.163138	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+H+CF3COOH"	115.000138
"1161661"	231.628601	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+3ACN+2H"	125.094202
"1707080"	470.189685	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+NH4+CF3COOH"	132.026685
"1646010"	475.14508	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+Na+CF3COOH"	136.98208
"1583848"	491.11902	"C02899"	"beta-Cyclopiazonate;beta-Cyclopiazonic acid"	"C20H22N2O3"	"338.163"	"M+K+CF3COOH"	152.95602
"807655"	172.1463	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M"	0
"976085"	153.12791	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-H2O-H"	-19.01839
"67243"	113.756924	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M-3H"	-3.021828
"506803"	171.139024	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M-3H"	-3.021828
"883514"	56.374824	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-3H"	-3.021828
"9743"	171.139024	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M-2H"	-2.014552
"443836"	257.212174	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M-2H"	-2.014552
"821270"	85.065874	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-2H"	-2.014552
"87096"	343.285324	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M-H"	-1.007276
"524470"	515.431624	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M-H"	-1.007276
"902271"	171.139024	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-H"	-1.007276
"55551"	360.311871	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M-2H+NH4"	16.019271
"494017"	532.458171	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M-2H+NH4"	16.019271
"870727"	188.165571	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-2H+NH4"	16.019271
"41548"	365.267266	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M-2H+Na"	20.974666
"484024"	537.413566	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M-2H+Na"	20.974666
"851619"	193.120966	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-2H+Na"	20.974666
"1622248"	193.120966	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Na-2H"	20.974666
"96589"	189.127363	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M-H+Cl"	33.962126
"536151"	275.200513	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M-H+Cl"	33.962126
"935137"	103.054213	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-H+Cl"	33.962126
"277341"	379.262002	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+Cl"	34.969402
"674632"	551.408302	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+Cl"	34.969402
"1288337"	207.115702	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Cl"	34.969402
"29833"	381.241206	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M-2H+K"	36.948606
"469759"	553.387506	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M-2H+K"	36.948606
"847199"	209.094906	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-2H+K"	36.948606
"1570564"	209.094906	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+K-2H"	36.948606
"958085"	217.144494	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-H+HCOOH"	44.998194
"374595"	389.290801	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+HCOOH-H"	44.998201
"361150"	403.306451	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+Hac-H"	59.013851
"1506580"	231.160151	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Hac-H"	59.013851
"971568"	239.126451	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-H+NaCOOH"	66.980151
"121203"	207.115702	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+2Cl"	69.938804
"564048"	293.188852	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+2Cl"	69.938804
"1034304"	121.042552	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2Cl"	69.938804
"1249506"	251.065185	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Br"	78.918885
"1314140"	253.121172	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Cl+HCOOH"	80.974872
"1328358"	275.103129	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Cl+NaCOOH"	102.956829
"918324"	285.131886	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M-H+CF3COOH"	112.985586
"1296126"	321.108564	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Cl+CF3COOH"	148.962264
"1375383"	137.133624	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H-2H2O"	-35.012676
"1387411"	155.1436	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H-H2O"	-17.0027
"288192"	345.299876	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+H"	1.007276
"678425"	517.446176	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+H"	1.007276
"1354774"	173.153576	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H"	1.007276
"132036"	173.153576	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+2H"	2.014552
"568679"	259.226726	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+2H"	2.014552
"1038329"	87.080426	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2H"	2.014552
"205743"	115.771476	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+3H"	3.021828
"645426"	173.153576	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+3H"	3.021828
"1163075"	58.389376	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+3H"	3.021828
"424398"	362.326423	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+NH4"	18.033823
"788070"	534.472723	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+NH4"	18.033823
"1682215"	190.180123	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+NH4"	18.033823
"335236"	181.6668495	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+H+NH4"	19.041099
"737507"	267.7399995	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+H+NH4"	19.041099
"1482216"	95.5936995	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H+NH4"	19.041099
"396885"	367.281818	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+Na"	22.989218
"767357"	539.428118	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+Na"	22.989218
"1617399"	195.135518	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Na"	22.989218
"324397"	184.144547	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+H+Na"	23.996494
"719007"	270.217697	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+H+Na"	23.996494
"1466270"	98.071397	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H+Na"	23.996494
"1061701"	65.71669	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2H+Na"	25.00377
"1266659"	205.179786	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+CH3OH+H"	33.033486
"385235"	383.255758	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+K"	38.963158
"741125"	555.402058	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+K"	38.963158
"1541352"	211.109458	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+K"	38.963158
"300355"	192.131517	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+H+K"	39.970434
"694598"	278.204667	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+H+K"	39.970434
"1448417"	106.058367	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H+K"	39.970434
"238480"	386.326426	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+ACN+H"	42.033826
"1217389"	214.180126	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+ACN+H"	42.033826
"1199085"	107.593701	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+ACN+2H"	43.041102
"194143"	389.26376	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+2Na-H"	44.97116
"634797"	561.41006	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+2Na-H"	44.97116
"1136113"	217.11746	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2Na-H"	44.97116
"180863"	195.135518	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+2Na"	45.978436
"623340"	281.208668	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+2Na"	45.978436
"1126846"	109.062368	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2Na"	45.978436
"1411461"	73.044004	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H+2Na"	46.985712
"1439204"	219.159046	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H+HCOOH"	47.012746
"232909"	200.16854	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+3H2O+2H"	56.04448
"1519148"	233.21109	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+IsoProp+H"	61.06479
"417741"	203.122488	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+Na+K"	61.952376
"772539"	289.195638	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+Na+K"	61.952376
"1671788"	117.049338	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Na+K"	61.952376
"259402"	408.308368	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+ACN+Na"	64.015768
"1234298"	236.162068	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+ACN+Na"	64.015768
"1713710"	236.185593	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+NH4+HCOOH"	64.039293
"1184170"	80.371318	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+3Na"	68.967654
"1655155"	241.140988	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Na+HCOOH"	68.994688
"170047"	421.21164	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+2K-H"	76.91904
"609244"	593.35794	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+2K-H"	76.91904
"1095943"	249.06534	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2K-H"	76.91904
"155917"	211.109458	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"2M+2K"	77.926316
"592314"	297.182608	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"3M+2K"	77.926316
"1080478"	125.036308	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2K"	77.926316
"1108945"	251.079892	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2K+H"	78.933592
"1349227"	251.167507	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+DMSO+H"	79.021207
"1019942"	255.206676	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2ACN+H"	83.060376
"1537458"	256.200308	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+IsoProp+Na+H"	84.054008
"1003542"	128.106976	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+2ACN+2H"	84.067652
"1600235"	257.114928	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+K+HCOOH"	84.968628
"1429662"	287.146438	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+H+CF3COOH"	115.000138
"1162257"	148.620251	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+3ACN+2H"	125.094202
"1710473"	304.172985	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+NH4+CF3COOH"	132.026685
"1647216"	309.12838	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+Na+CF3COOH"	136.98208
"1583960"	325.10232	"C02904"	"p-Menthane-38-diol;(-)-38-p-Menthanediol"	"C10H20O2"	"172.1463"	"M+K+CF3COOH"	152.95602
"811046"	320.0532	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M"	0
"976925"	301.03481	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-H2O-H"	-19.01839
"65168"	212.361524	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M-3H"	-3.021828
"511290"	319.045924	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M-3H"	-3.021828
"889092"	105.677124	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-3H"	-3.021828
"5479"	319.045924	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M-2H"	-2.014552
"441759"	479.072524	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M-2H"	-2.014552
"817977"	159.019324	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-2H"	-2.014552
"81006"	639.099124	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M-H"	-1.007276
"522388"	959.152324	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M-H"	-1.007276
"901284"	319.045924	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-H"	-1.007276
"53472"	656.125671	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M-2H+NH4"	16.019271
"493034"	976.178871	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M-2H+NH4"	16.019271
"869744"	336.072471	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-2H+NH4"	16.019271
"40927"	661.081066	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M-2H+Na"	20.974666
"484864"	981.134266	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M-2H+Na"	20.974666
"853916"	341.027866	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-2H+Na"	20.974666
"1623454"	341.027866	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Na-2H"	20.974666
"99982"	337.034263	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M-H+Cl"	33.962126
"539544"	497.060863	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M-H+Cl"	33.962126
"934153"	177.007663	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-H+Cl"	33.962126
"278179"	675.075802	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+Cl"	34.969402
"675586"	995.129002	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+Cl"	34.969402
"1288353"	355.022602	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Cl"	34.969402
"28849"	677.055006	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M-2H+K"	36.948606
"469138"	997.108206	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M-2H+K"	36.948606
"847307"	357.001806	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-2H+K"	36.948606
"1570308"	357.001806	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+K-2H"	36.948606
"956488"	365.051394	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-H+HCOOH"	44.998194
"375437"	685.104601	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+HCOOH-H"	44.998201
"358589"	699.120251	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+Hac-H"	59.013851
"1507056"	379.067051	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Hac-H"	59.013851
"970585"	387.033351	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-H+NaCOOH"	66.980151
"123142"	355.022602	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+2Cl"	69.938804
"559054"	515.049202	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+2Cl"	69.938804
"1032226"	194.996002	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2Cl"	69.938804
"1249616"	398.972085	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Br"	78.918885
"1309878"	401.028072	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Cl+HCOOH"	80.974872
"1332845"	423.010029	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Cl+NaCOOH"	102.956829
"918434"	433.038786	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M-H+CF3COOH"	112.985586
"1297331"	469.015464	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Cl+CF3COOH"	148.962264
"1380962"	285.040524	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H-2H2O"	-35.012676
"1391898"	303.0505	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H-H2O"	-17.0027
"288302"	641.113676	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+H"	1.007276
"686190"	961.166876	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+H"	1.007276
"1359259"	321.060476	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H"	1.007276
"135427"	321.060476	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+2H"	2.014552
"570976"	481.087076	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+2H"	2.014552
"1038324"	161.033876	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2H"	2.014552
"205133"	214.376076	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+3H"	3.021828
"649068"	321.060476	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+3H"	3.021828
"1165008"	107.691676	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+3H"	3.021828
"429375"	658.140223	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+NH4"	18.033823
"789276"	978.193423	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+NH4"	18.033823
"1686699"	338.087023	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+NH4"	18.033823
"337168"	329.5737495	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+H+NH4"	19.041099
"737250"	489.6003495	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+H+NH4"	19.041099
"1485604"	169.5471495	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H+NH4"	19.041099
"404281"	663.095618	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+Na"	22.989218
"761996"	983.148818	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+Na"	22.989218
"1615929"	343.042418	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Na"	22.989218
"326332"	332.051447	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+H+Na"	23.996494
"715838"	492.078047	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+H+Na"	23.996494
"1463097"	172.024847	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H+Na"	23.996494
"1058528"	115.01899	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2H+Na"	25.00377
"1263487"	353.086686	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+CH3OH+H"	33.033486
"383155"	679.069558	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+K"	38.963158
"745247"	999.122758	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+K"	38.963158
"1545112"	359.016358	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+K"	38.963158
"300222"	340.038417	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+H+K"	39.970434
"692888"	500.065017	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+H+K"	39.970434
"1450719"	180.011817	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H+K"	39.970434
"243698"	682.140226	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+ACN+H"	42.033826
"1220780"	362.087026	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+ACN+H"	42.033826
"1200289"	181.547151	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+ACN+2H"	43.041102
"197534"	685.07756	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+2Na-H"	44.97116
"633084"	1005.13076	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+2Na-H"	44.97116
"1134766"	365.02436	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2Na-H"	44.97116
"178422"	343.042418	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+2Na"	45.978436
"618710"	503.069018	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+2Na"	45.978436
"1125497"	183.015818	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2Na"	45.978436
"1405014"	122.346304	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H+2Na"	46.985712
"1434940"	367.065946	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H+HCOOH"	47.012746
"225730"	348.07544	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+3H2O+2H"	56.04448
"1516708"	381.11799	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+IsoProp+H"	61.06479
"413480"	351.029388	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+Na+K"	61.952376
"773384"	511.055988	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+Na+K"	61.952376
"1672996"	191.002788	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Na+K"	61.952376
"259514"	704.122168	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+ACN+Na"	64.015768
"1231129"	384.068968	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+ACN+Na"	64.015768
"1717832"	384.092493	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+NH4+HCOOH"	64.039293
"1184280"	129.673618	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+3Na"	68.967654
"1657455"	389.047888	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Na+HCOOH"	68.994688
"169060"	717.02544	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+2K-H"	76.91904
"608987"	1037.07864	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+2K-H"	76.91904
"1097146"	396.97224	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2K-H"	76.91904
"153597"	359.016358	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"2M+2K"	77.926316
"593156"	519.042958	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"3M+2K"	77.926316
"1079130"	198.989758	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2K"	77.926316
"1114163"	398.986792	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2K+H"	78.933592
"1350552"	399.074407	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+DMSO+H"	79.021207
"1018352"	403.113576	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2ACN+H"	83.060376
"1538423"	404.107208	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+IsoProp+Na+H"	84.054008
"999646"	202.060426	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+2ACN+2H"	84.067652
"1601438"	405.021828	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+K+HCOOH"	84.968628
"1428556"	435.053338	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+H+CF3COOH"	115.000138
"1161396"	222.573701	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+3ACN+2H"	125.094202
"1710948"	452.079885	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+NH4+CF3COOH"	132.026685
"1642950"	457.03528	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+Na+CF3COOH"	136.98208
"1577506"	473.00922	"C02906"	"Dihydromyricetin;Ampelopsin;()-Dihydromyricetin;()-Ampelopsin"	"C15H12O8"	"320.0532"	"M+K+CF3COOH"	152.95602
"811156"	158.0732	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M"	0
"977034"	139.05481	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-H2O-H"	-19.01839
"68557"	104.374857333333	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M-3H"	-3.021828
"512493"	157.065924	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M-3H"	-3.021828
"890295"	51.6837906666667	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-3H"	-3.021828
"3402"	157.065924	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M-2H"	-2.014552
"441869"	236.102524	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M-2H"	-2.014552
"818938"	78.029324	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-2H"	-2.014552
"81479"	315.139124	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M-H"	-1.007276
"521405"	473.212324	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M-H"	-1.007276
"897139"	157.065924	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-H"	-1.007276
"53582"	332.165671	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M-2H+NH4"	16.019271
"493144"	490.238871	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M-2H+NH4"	16.019271
"876050"	174.092471	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-2H+NH4"	16.019271
"37756"	337.121066	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M-2H+Na"	20.974666
"482419"	495.194266	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M-2H+Na"	20.974666
"854025"	179.047866	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-2H+Na"	20.974666
"1618656"	179.047866	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Na-2H"	20.974666
"96810"	175.054263	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M-H+Cl"	33.962126
"544026"	254.090863	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M-H+Cl"	33.962126
"934261"	96.017663	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-H+Cl"	33.962126
"276099"	351.115802	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+Cl"	34.969402
"674359"	509.189002	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+Cl"	34.969402
"1287140"	193.042602	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Cl"	34.969402
"30783"	353.095006	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M-2H+K"	36.948606
"470221"	511.168206	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M-2H+K"	36.948606
"848147"	195.021806	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-2H+K"	36.948606
"1568350"	195.021806	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+K-2H"	36.948606
"955140"	203.071394	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-H+HCOOH"	44.998194
"376276"	361.144601	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+HCOOH-H"	44.998201
"359670"	375.160251	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+Hac-H"	59.013851
"1506073"	217.087051	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Hac-H"	59.013851
"970331"	225.053351	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-H+NaCOOH"	66.980151
"124347"	193.042602	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+2Cl"	69.938804
"560257"	272.079202	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+2Cl"	69.938804
"1032336"	114.006002	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2Cl"	69.938804
"1250819"	236.992085	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Br"	78.918885
"1311079"	239.048072	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Cl+HCOOH"	80.974872
"1329671"	261.030029	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Cl+NaCOOH"	102.956829
"919637"	271.058786	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M-H+CF3COOH"	112.985586
"1297441"	307.035464	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Cl+CF3COOH"	148.962264
"1378885"	123.060524	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H-2H2O"	-35.012676
"1392008"	141.0705	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H-H2O"	-17.0027
"287682"	317.153676	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+H"	1.007276
"685207"	475.226876	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+H"	1.007276
"1359368"	159.080476	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H"	1.007276
"133350"	159.080476	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+2H"	2.014552
"572907"	238.117076	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+2H"	2.014552
"1038798"	80.043876	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2H"	2.014552
"206700"	106.389409333333	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+3H"	3.021828
"651364"	159.080476	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+3H"	3.021828
"1166211"	53.6983426666667	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+3H"	3.021828
"430578"	334.180223	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+NH4"	18.033823
"789386"	492.253423	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+NH4"	18.033823
"1686809"	176.107023	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+NH4"	18.033823
"338371"	167.5937495	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+H+NH4"	19.041099
"737360"	246.6303495	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+H+NH4"	19.041099
"1485714"	88.5571495	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H+NH4"	19.041099
"405484"	339.135618	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+Na"	22.989218
"763199"	497.208818	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+Na"	22.989218
"1608019"	181.062418	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Na"	22.989218
"324619"	170.071447	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+H+Na"	23.996494
"714855"	249.108047	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+H+Na"	23.996494
"1467581"	91.034847	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H+Na"	23.996494
"1059731"	61.0256566666667	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2H+Na"	25.00377
"1266876"	191.106686	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+CH3OH+H"	33.033486
"386544"	355.109558	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+K"	38.963158
"747543"	513.182758	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+K"	38.963158
"1549594"	197.036358	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+K"	38.963158
"301304"	178.058417	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+H+K"	39.970434
"695912"	257.095017	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+H+K"	39.970434
"1451923"	99.021817	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H+K"	39.970434
"243808"	358.180226	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+ACN+H"	42.033826
"1213235"	200.107026	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+ACN+H"	42.033826
"1199306"	100.557151	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+ACN+2H"	43.041102
"191446"	361.11756	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+2Na-H"	44.97116
"633194"	519.19076	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+2Na-H"	44.97116
"1134876"	203.04436	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2Na-H"	44.97116
"176706"	181.062418	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+2Na"	45.978436
"618454"	260.099018	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+2Na"	45.978436
"1124876"	102.025818	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2Na"	45.978436
"1408038"	68.3529706666667	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H+2Na"	46.985712
"1437238"	205.085946	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H+HCOOH"	47.012746
"230942"	186.09544	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+3H2O+2H"	56.04448
"1518276"	219.13799	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+IsoProp+H"	61.06479
"410672"	189.049388	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+Na+K"	61.952376
"774587"	268.085988	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+Na+K"	61.952376
"1673106"	110.012788	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Na+K"	61.952376
"257437"	380.162168	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+ACN+Na"	64.015768
"1231240"	222.088968	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+ACN+Na"	64.015768
"1717942"	222.112493	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+NH4+HCOOH"	64.039293
"1185483"	75.6802846666667	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+3Na"	68.967654
"1657565"	227.067888	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Na+HCOOH"	68.994688
"166256"	393.06544	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+2K-H"	76.91904
"605817"	551.13864	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+2K-H"	76.91904
"1095069"	234.99224	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2K-H"	76.91904
"151885"	197.036358	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"2M+2K"	77.926316
"589256"	276.072958	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"3M+2K"	77.926316
"1078876"	117.999758	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2K"	77.926316
"1112086"	237.006792	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2K+H"	78.933592
"1349203"	237.094407	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+DMSO+H"	79.021207
"1017004"	241.133576	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2ACN+H"	83.060376
"1534400"	242.127208	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+IsoProp+Na+H"	84.054008
"1000849"	121.070426	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+2ACN+2H"	84.067652
"1599361"	243.041828	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+K+HCOOH"	84.968628
"1426116"	273.073338	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+H+CF3COOH"	115.000138
"1160412"	141.583701	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+3ACN+2H"	125.094202
"1710329"	290.099885	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+NH4+CF3COOH"	132.026685
"1643060"	295.05528	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+Na+CF3COOH"	136.98208
"1577616"	311.02922	"C02909"	"(2-Naphthyl)methanol;2-Naphthalenemethanol;2-Hydroxymethylnaphthalene"	"C11H10O"	"158.0732"	"M+K+CF3COOH"	152.95602
"811266"	76.0524	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M"	0
"975320"	57.03401	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H2O-H"	-19.01839
"65752"	49.694324	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-3H"	-3.021828
"511510"	75.045124	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-3H"	-3.021828
"887125"	24.343524	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-3H"	-3.021828
"2419"	75.045124	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H"	-2.014552
"442343"	113.071324	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H"	-2.014552
"817953"	37.018924	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H"	-2.014552
"78910"	151.097524	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-H"	-1.007276
"520178"	227.149924	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-H"	-1.007276
"896641"	75.045124	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H"	-1.007276
"52599"	168.124071	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+NH4"	16.019271
"493255"	244.176471	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+NH4"	16.019271
"875432"	92.071671	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+NH4"	16.019271
"37866"	173.079466	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+Na"	20.974666
"482529"	249.131866	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+Na"	20.974666
"853042"	97.027066	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+Na"	20.974666
"1620392"	97.027066	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na-2H"	20.974666
"96921"	93.033463	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-H+Cl"	33.962126
"545230"	131.059663	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-H+Cl"	33.962126
"935464"	55.007263	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+Cl"	33.962126
"276573"	187.074202	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Cl"	34.969402
"668996"	263.126602	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Cl"	34.969402
"1285051"	111.021802	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl"	34.969402
"30732"	189.053406	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+K"	36.948606
"466440"	265.105806	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+K"	36.948606
"847162"	113.001006	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+K"	36.948606
"1566637"	113.001006	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K-2H"	36.948606
"954157"	121.050594	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+HCOOH"	44.998194
"373466"	197.103001	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+HCOOH-H"	44.998201
"360268"	211.118651	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Hac-H"	59.013851
"1503993"	135.066251	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Hac-H"	59.013851
"970441"	143.032551	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+NaCOOH"	66.980151
"124821"	111.021802	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Cl"	69.938804
"560367"	149.048002	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Cl"	69.938804
"1028071"	72.995602	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Cl"	69.938804
"1249834"	154.971285	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Br"	78.918885
"1307908"	157.027272	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+HCOOH"	80.974872
"1324313"	179.009229	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+NaCOOH"	102.956829
"920840"	189.037986	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+CF3COOH"	112.985586
"1297550"	225.014664	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+CF3COOH"	148.962264
"1378995"	41.039724	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H-2H2O"	-35.012676
"1389931"	59.0497	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H-H2O"	-17.0027
"287428"	153.112076	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H"	1.007276
"682037"	229.164476	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H"	1.007276
"1356198"	77.059676	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H"	1.007276
"132366"	77.059676	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2H"	2.014552
"569738"	115.085876	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2H"	2.014552
"1038908"	39.033476	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2H"	2.014552
"207539"	51.708876	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+3H"	3.021828
"648192"	77.059676	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+3H"	3.021828
"1166321"	26.358076	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+3H"	3.021828
"430688"	170.138623	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+NH4"	18.033823
"789496"	246.191023	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+NH4"	18.033823
"1684367"	94.086223	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4"	18.033823
"336659"	85.5729495	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+NH4"	19.041099
"735283"	123.5991495	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+NH4"	19.041099
"1485825"	47.5467495	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+NH4"	19.041099
"396851"	175.094018	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Na"	22.989218
"764404"	251.146418	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Na"	22.989218
"1608129"	99.041618	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na"	22.989218
"324728"	88.050647	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+Na"	23.996494
"713869"	126.076847	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+Na"	23.996494
"1467690"	50.024447	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+Na"	23.996494
"1057653"	33.68539	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2H+Na"	25.00377
"1265892"	109.085886	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+CH3OH+H"	33.033486
"379363"	191.067958	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+K"	38.963158
"739993"	267.120358	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+K"	38.963158
"1541318"	115.015558	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K"	38.963158
"302508"	96.037617	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+K"	39.970434
"697115"	134.063817	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+K"	39.970434
"1449845"	58.011417	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+K"	39.970434
"240636"	194.138626	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+H"	42.033826
"1213345"	118.086226	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+H"	42.033826
"1197953"	59.546751	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+2H"	43.041102
"192284"	197.07596	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na-H"	44.97116
"634397"	273.12836	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na-H"	44.97116
"1137172"	121.02356	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Na-H"	44.97116
"176087"	99.041618	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na"	45.978436
"618928"	137.067818	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na"	45.978436
"1119882"	61.015418	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Na"	45.978436
"1408511"	41.012704	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+2Na"	46.985712
"1437347"	123.065146	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+HCOOH"	47.012746
"230322"	104.07464	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+3H2O+2H"	56.04448
"1518386"	137.11719	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+H"	61.06479
"410417"	107.028588	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Na+K"	61.952376
"774697"	145.054788	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Na+K"	61.952376
"1673216"	69.002388	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+K"	61.952376
"254631"	216.120568	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+Na"	64.015768
"1229527"	140.068168	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+Na"	64.015768
"1718052"	140.091693	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+HCOOH"	64.039293
"1182677"	48.340018	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+3Na"	68.967654
"1657675"	145.047088	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+HCOOH"	68.994688
"168552"	229.02384	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2K-H"	76.91904
"605927"	305.07624	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2K-H"	76.91904
"1095179"	152.97144	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K-H"	76.91904
"152360"	115.015558	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2K"	77.926316
"587179"	153.041758	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2K"	77.926316
"1080809"	76.989358	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K"	77.926316
"1113780"	154.985992	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K+H"	78.933592
"1349680"	155.073607	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+DMSO+H"	79.021207
"1018208"	159.112776	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+H"	83.060376
"1538522"	160.106408	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+Na+H"	84.054008
"1003146"	80.060026	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+2H"	84.067652
"1601295"	161.021028	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K+HCOOH"	84.968628
"1427318"	191.052538	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+CF3COOH"	115.000138
"1159429"	100.573301	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+3ACN+2H"	125.094202
"1710439"	208.079085	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+CF3COOH"	132.026685
"1643170"	213.03448	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+CF3COOH"	136.98208
"1577726"	229.00842	"C02912"	"(R)-Propane-12-diol;(R)-12-Propanediol;(R)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K+CF3COOH"	152.95602
"811376"	169.9885	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M"	0
"978348"	150.97011	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H2O-H"	-19.01839
"68777"	112.318390666667	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-3H"	-3.021828
"512713"	168.981224	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-3H"	-3.021828
"888328"	55.6555573333333	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-3H"	-3.021828
"4715"	168.981224	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H"	-2.014552
"442089"	253.975474	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H"	-2.014552
"817823"	83.986974	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H"	-2.014552
"78644"	338.969724	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H"	-1.007276
"519804"	508.958224	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H"	-1.007276
"895711"	168.981224	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H"	-1.007276
"51616"	355.996271	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+NH4"	16.019271
"491179"	525.984771	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+NH4"	16.019271
"873355"	186.007771	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+NH4"	16.019271
"39070"	360.951666	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+Na"	20.974666
"481546"	530.940166	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+Na"	20.974666
"855339"	190.963166	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+Na"	20.974666
"1619773"	190.963166	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na-2H"	20.974666
"96302"	186.969563	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H+Cl"	33.962126
"544248"	271.963813	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H+Cl"	33.962126
"933389"	101.975313	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+Cl"	33.962126
"271947"	374.946402	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Cl"	34.969402
"670929"	544.934902	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Cl"	34.969402
"1284432"	204.957902	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl"	34.969402
"25895"	376.925606	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+K"	36.948606
"467643"	546.914106	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+K"	36.948606
"841071"	206.937106	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+K"	36.948606
"1564559"	206.937106	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K-2H"	36.948606
"946974"	214.986694	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+HCOOH"	44.998194
"365190"	384.975201	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+HCOOH-H"	44.998201
"349073"	398.990851	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Hac-H"	59.013851
"1497906"	229.002351	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Hac-H"	59.013851
"964353"	236.968651	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+NaCOOH"	66.980151
"115446"	204.957902	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Cl"	69.938804
"552820"	289.952152	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Cl"	69.938804
"1024167"	119.963652	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Cl"	69.938804
"1244474"	248.907385	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Br"	78.918885
"1310203"	250.963372	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+HCOOH"	80.974872
"1323327"	272.945329	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+NaCOOH"	102.956829
"914386"	282.974086	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+CF3COOH"	112.985586
"1293286"	318.950764	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+CF3COOH"	148.962264
"1373637"	134.975824	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-2H2O"	-35.012676
"1387852"	152.9858	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-H2O"	-17.0027
"286441"	340.984276	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H"	1.007276
"679958"	510.972776	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H"	1.007276
"1351933"	170.995776	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H"	1.007276
"129925"	170.995776	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2H"	2.014552
"569846"	255.990026	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2H"	2.014552
"1038646"	86.001526	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H"	2.014552
"204484"	114.332942666667	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H"	3.021828
"645750"	170.995776	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+3H"	3.021828
"1163512"	57.6701093333333	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3H"	3.021828
"428975"	358.010823	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+NH4"	18.033823
"787417"	527.999323	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+NH4"	18.033823
"1684478"	188.022323	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4"	18.033823
"336405"	179.5090495	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+NH4"	19.041099
"733933"	264.5032995	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+NH4"	19.041099
"1488119"	94.5147995	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+NH4"	19.041099
"399145"	362.966218	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na"	22.989218
"761234"	532.954718	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na"	22.989218
"1607144"	192.977718	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na"	22.989218
"325930"	181.986747	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+Na"	23.996494
"715073"	266.980997	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+Na"	23.996494
"1467800"	96.992497	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+Na"	23.996494
"1058856"	64.9974233333333	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H+Na"	25.00377
"1263815"	203.021986	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+CH3OH+H"	33.033486
"379109"	378.940158	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+K"	38.963158
"741562"	548.928658	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+K"	38.963158
"1544344"	208.951658	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K"	38.963158
"303711"	189.973717	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+K"	39.970434
"697226"	274.967967	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+K"	39.970434
"1453234"	104.979467	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+K"	39.970434
"240743"	382.010826	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+H"	42.033826
"1214548"	212.022326	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+H"	42.033826
"1198063"	106.514801	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+2H"	43.041102
"193122"	384.94816	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na-H"	44.97116
"633775"	554.93666	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na-H"	44.97116
"1138376"	214.95966	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na-H"	44.97116
"176197"	192.977718	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na"	45.978436
"619038"	277.971968	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na"	45.978436
"1119992"	107.983468	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na"	45.978436
"1405340"	72.3247373333333	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+2Na"	46.985712
"1437456"	217.001246	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+HCOOH"	47.012746
"228245"	198.01074	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H2O+2H"	56.04448
"1517401"	231.05329	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+H"	61.06479
"411624"	200.964688	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na+K"	61.952376
"779181"	285.958938	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na+K"	61.952376
"1672232"	115.970438	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+K"	61.952376
"264218"	403.992768	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+Na"	64.015768
"1232552"	234.004268	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+Na"	64.015768
"1718890"	234.027793	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+HCOOH"	64.039293
"1180231"	79.6520513333333	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3Na"	68.967654
"1650490"	238.983188	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+HCOOH"	68.994688
"169024"	416.89604	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K-H"	76.91904
"608586"	586.88454	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K-H"	76.91904
"1096380"	246.90754	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K-H"	76.91904
"153925"	208.951658	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K"	77.926316
"587289"	293.945908	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K"	77.926316
"1078365"	123.957408	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K"	77.926316
"1114616"	248.922092	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K+H"	78.933592
"1349910"	249.009707	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+DMSO+H"	79.021207
"1019655"	253.048876	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+H"	83.060376
"1537172"	254.042508	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+Na+H"	84.054008
"1002163"	127.028076	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+2H"	84.067652
"1597762"	254.957128	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+HCOOH"	84.968628
"1428159"	284.988638	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+CF3COOH"	115.000138
"1160632"	147.541351	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3ACN+2H"	125.094202
"1710913"	302.015185	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+CF3COOH"	132.026685
"1643280"	306.97058	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+CF3COOH"	136.98208
"1577836"	322.94452	"C02914"	"(S)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+CF3COOH"	152.95602
"811486"	354.1705	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M"	0
"975543"	335.15211	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-H2O-H"	-19.01839
"64879"	235.106390666667	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M-3H"	-3.021828
"511730"	353.163224	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M-3H"	-3.021828
"887345"	117.049557333333	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-3H"	-3.021828
"2639"	353.163224	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M-2H"	-2.014552
"441106"	530.248474	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M-2H"	-2.014552
"817324"	176.077974	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-2H"	-2.014552
"78767"	707.333724	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M-H"	-1.007276
"519425"	1061.504224	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M-H"	-1.007276
"895762"	353.163224	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-H"	-1.007276
"51726"	724.360271	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M-2H+NH4"	16.019271
"491289"	1078.530771	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M-2H+NH4"	16.019271
"872372"	370.189771	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-2H+NH4"	16.019271
"41367"	729.315666	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M-2H+Na"	20.974666
"480927"	1083.486166	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M-2H+Na"	20.974666
"856543"	375.145166	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-2H+Na"	20.974666
"1619882"	375.145166	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Na-2H"	20.974666
"96412"	371.151563	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M-H+Cl"	33.962126
"542171"	548.236813	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M-H+Cl"	33.962126
"931676"	194.066313	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-H+Cl"	33.962126
"272421"	743.310402	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+Cl"	34.969402
"668853"	1097.480902	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+Cl"	34.969402
"1284541"	389.139902	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Cl"	34.969402
"24912"	745.289606	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M-2H+K"	36.948606
"467753"	1099.460106	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M-2H+K"	36.948606
"841181"	391.119106	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-2H+K"	36.948606
"1564669"	391.119106	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+K-2H"	36.948606
"944896"	399.168694	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-H+HCOOH"	44.998194
"365300"	753.339201	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+HCOOH-H"	44.998201
"348818"	767.354851	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+Hac-H"	59.013851
"1498016"	413.184351	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Hac-H"	59.013851
"963367"	421.150651	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-H+NaCOOH"	66.980151
"113369"	389.139902	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+2Cl"	69.938804
"556210"	566.225152	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+2Cl"	69.938804
"1023182"	212.054652	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2Cl"	69.938804
"1243491"	433.089385	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Br"	78.918885
"1311407"	435.145372	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Cl+HCOOH"	80.974872
"1320521"	457.127329	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Cl+NaCOOH"	102.956829
"916683"	467.156086	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M-H+CF3COOH"	112.985586
"1292667"	503.132764	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Cl+CF3COOH"	148.962264
"1378121"	319.157824	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H-2H2O"	-35.012676
"1387962"	337.1678	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H-H2O"	-17.0027
"283271"	709.348276	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+H"	1.007276
"678975"	1063.518776	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+H"	1.007276
"1353136"	355.177776	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H"	1.007276
"130399"	355.177776	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+2H"	2.014552
"567770"	532.263026	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+2H"	2.014552
"1038755"	178.092526	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2H"	2.014552
"205570"	237.120942666667	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+3H"	3.021828
"646224"	355.177776	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+3H"	3.021828
"1163987"	119.064109333333	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+3H"	3.021828
"430908"	726.374823	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+NH4"	18.033823
"792997"	1080.545323	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+NH4"	18.033823
"1688234"	372.204323	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+NH4"	18.033823
"337972"	363.6910495	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+H+NH4"	19.041099
"734407"	540.7762995	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+H+NH4"	19.041099
"1488958"	186.6057995	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H+NH4"	19.041099
"403630"	731.330218	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+Na"	22.989218
"764625"	1085.500718	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+Na"	22.989218
"1610535"	377.159718	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Na"	22.989218
"326042"	366.168747	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+H+Na"	23.996494
"716277"	543.253997	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+H+Na"	23.996494
"1470095"	189.083497	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H+Na"	23.996494
"1061153"	126.391423333333	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2H+Na"	25.00377
"1266113"	387.203986	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+CH3OH+H"	33.033486
"383597"	747.304158	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+K"	38.963158
"748964"	1101.474658	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+K"	38.963158
"1542266"	393.133658	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+K"	38.963158
"303821"	374.155717	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+H+K"	39.970434
"697335"	551.240967	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+H+K"	39.970434
"1452251"	197.070467	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H+K"	39.970434
"239760"	750.374826	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+ACN+H"	42.033826
"1214659"	396.204326	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+ACN+H"	42.033826
"1197810"	198.605801	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+ACN+2H"	43.041102
"192505"	753.31216	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+2Na-H"	44.97116
"633885"	1107.48266	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+2Na-H"	44.97116
"1138122"	399.14166	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2Na-H"	44.97116
"175943"	377.159718	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+2Na"	45.978436
"618420"	554.244968	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+2Na"	45.978436
"1120102"	200.074468	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2Na"	45.978436
"1399735"	133.718737333333	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H+2Na"	46.985712
"1437566"	401.183246	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H+HCOOH"	47.012746
"231635"	382.19274	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+3H2O+2H"	56.04448
"1516418"	415.23529	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+IsoProp+H"	61.06479
"422667"	385.146688	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+Na+K"	61.952376
"778198"	562.231938	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+Na+K"	61.952376
"1673436"	208.061438	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Na+K"	61.952376
"258861"	772.356768	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+ACN+Na"	64.015768
"1233755"	418.186268	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+ACN+Na"	64.015768
"1718636"	418.209793	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+NH4+HCOOH"	64.039293
"1182531"	141.046051333333	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+3Na"	68.967654
"1650194"	423.165188	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Na+HCOOH"	68.994688
"165854"	785.26004	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+2K-H"	76.91904
"606144"	1139.43054	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+2K-H"	76.91904
"1091022"	431.08954	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2K-H"	76.91904
"152211"	393.133658	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"2M+2K"	77.926316
"589585"	570.218908	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"3M+2K"	77.926316
"1073006"	216.048408	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2K"	77.926316
"1108037"	433.104092	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2K+H"	78.933592
"1350502"	433.191707	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+DMSO+H"	79.021207
"1018788"	437.230876	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2ACN+H"	83.060376
"1535818"	438.224508	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+IsoProp+Na+H"	84.054008
"1003363"	219.119076	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+2ACN+2H"	84.067652
"1600422"	439.139128	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+K+HCOOH"	84.968628
"1427904"	469.170638	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+H+CF3COOH"	115.000138
"1161107"	239.632351	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+3ACN+2H"	125.094202
"1709930"	486.197185	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+NH4+CF3COOH"	132.026685
"1643390"	491.15258	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+Na+CF3COOH"	136.98208
"1577946"	507.12652	"C02915"	"(S)-cis-N-Methylcanadine"	"C21H24NO4"	"354.1705"	"M+K+CF3COOH"	152.95602
"811596"	287.1158	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M"	0
"975410"	268.09741	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"66811"	190.403257333333	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"511840"	286.108524	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"892923"	94.6979906666667	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"7124"	286.108524	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"441093"	429.666424	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"817305"	142.550624	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"78924"	573.224324	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"518640"	860.340124	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"897098"	286.108524	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"50015"	590.250871	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"491399"	877.366671	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"872483"	303.135071	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"41477"	595.206266	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"483223"	882.322066	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"855559"	308.090466	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1620721"	308.090466	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"97615"	304.096863	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"542281"	447.654763	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"935796"	160.538963	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"273258"	609.201002	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"664584"	896.316802	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1284648"	322.085202	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"22835"	611.180206	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"463488"	898.296006	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"838011"	324.064406	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1558218"	324.064406	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"944278"	332.113994	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"371243"	619.229801	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"353668"	633.245451	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1494846"	346.129651	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"963479"	354.095951	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"111290"	322.085202	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"551944"	465.643102	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1024021"	178.527302	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1243964"	366.034685	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1308235"	368.090672	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1321362"	390.072629	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"914606"	400.101386	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1293506"	436.078064	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1378231"	252.103124	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1389165"	270.1131	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"283746"	575.238876	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"680179"	862.354676	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1356528"	288.123076	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"127471"	288.123076	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"568975"	431.680976	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1037648"	144.565176	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"204403"	192.417809333333	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"646334"	288.123076	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1165554"	96.7125426666667	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"431018"	592.265423	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"794201"	879.381223	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1687251"	305.149623	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"337718"	296.6363495	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"727956"	440.1942495	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1486153"	153.0784495	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"403740"	597.220818	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"765828"	884.336618	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1609552"	310.105018	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"325060"	299.114047	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"717482"	442.671947	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1468019"	155.556147	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1057984"	104.039856666667	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1264035"	320.149286	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"383703"	613.194758	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"743605"	900.310558	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1542011"	326.078958	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"301009"	307.101017	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"696352"	450.658917	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1452361"	163.543117	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"247528"	616.265426	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1222059"	329.149626	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1206307"	165.078451	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"198084"	619.20276	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"635457"	906.31856	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1142244"	332.08696	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"181159"	310.105018	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"620719"	453.662918	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1124224"	166.547118	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1408841"	111.367170666667	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1440594"	334.128546	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"231383"	315.13804	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1516530"	348.18059	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"415124"	318.091988	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"777214"	461.649888	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1672452"	174.534088	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"260064"	638.247368	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1234960"	351.131568	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1718746"	351.155093	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1182278"	118.694484666667	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1652172"	356.110488	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"162683"	651.15064	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"605889"	938.26644	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1088945"	364.03484	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"145760"	326.078958	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"584229"	469.636858	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1075303"	182.521058	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1103049"	366.049392	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1350248"	366.137007	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1019992"	370.176176	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1538970"	371.169808	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"1002382"	185.591726	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1597980"	372.084428	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1427649"	402.115938	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1160488"	206.105001	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1711133"	419.142485	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1649622"	424.09788	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1584620"	440.07182	"C02916"	"(S)-Norlaudanosoline;(S)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"813893"	76.0524	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M"	0
"978679"	57.03401	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H2O-H"	-19.01839
"68015"	49.694324	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-3H"	-3.021828
"511950"	75.045124	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-3H"	-3.021828
"893033"	24.343524	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-3H"	-3.021828
"3954"	75.045124	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H"	-2.014552
"441326"	113.071324	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H"	-2.014552
"818028"	37.018924	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H"	-2.014552
"79600"	151.097524	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-H"	-1.007276
"518606"	227.149924	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-H"	-1.007276
"900124"	75.045124	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H"	-1.007276
"55228"	168.124071	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+NH4"	16.019271
"494789"	244.176471	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+NH4"	16.019271
"875873"	92.071671	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+NH4"	16.019271
"39400"	173.079466	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+Na"	20.974666
"482240"	249.131866	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+Na"	20.974666
"854575"	97.027066	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+Na"	20.974666
"1621923"	97.027066	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na-2H"	20.974666
"99549"	93.033463	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-H+Cl"	33.962126
"541297"	131.059663	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-H+Cl"	33.962126
"934813"	55.007263	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+Cl"	33.962126
"271181"	187.074202	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Cl"	34.969402
"665057"	263.126602	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Cl"	34.969402
"1285851"	111.021802	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl"	34.969402
"26225"	189.053406	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M-2H+K"	36.948606
"465785"	265.105806	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M-2H+K"	36.948606
"839213"	113.001006	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-2H+K"	36.948606
"1559419"	113.001006	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K-2H"	36.948606
"949491"	121.050594	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+HCOOH"	44.998194
"365520"	197.103001	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+HCOOH-H"	44.998201
"349403"	211.118651	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Hac-H"	59.013851
"1498235"	135.066251	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Hac-H"	59.013851
"960308"	143.032551	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+NaCOOH"	66.980151
"113950"	111.021802	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Cl"	69.938804
"552783"	149.048002	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Cl"	69.938804
"1026683"	72.995602	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Cl"	69.938804
"1249176"	154.971285	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Br"	78.918885
"1314903"	157.027272	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+HCOOH"	80.974872
"1322200"	179.009229	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+NaCOOH"	102.956829
"915809"	189.037986	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M-H+CF3COOH"	112.985586
"1293616"	225.014664	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Cl+CF3COOH"	148.962264
"1375061"	41.039724	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H-2H2O"	-35.012676
"1385995"	59.0497	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H-H2O"	-17.0027
"284583"	153.112076	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H"	1.007276
"676643"	229.164476	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H"	1.007276
"1354451"	77.059676	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H"	1.007276
"128433"	77.059676	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2H"	2.014552
"567991"	115.085876	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2H"	2.014552
"1039339"	39.033476	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2H"	2.014552
"204569"	51.708876	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+3H"	3.021828
"646809"	77.059676	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+3H"	3.021828
"1164206"	26.358076	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+3H"	3.021828
"432220"	170.138623	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+NH4"	18.033823
"795405"	246.191023	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+NH4"	18.033823
"1689548"	94.086223	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4"	18.033823
"337829"	85.5729495	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+NH4"	19.041099
"729523"	123.5991495	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+NH4"	19.041099
"1490636"	47.5467495	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+NH4"	19.041099
"404580"	175.094018	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Na"	22.989218
"763750"	251.146418	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Na"	22.989218
"1609662"	99.041618	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na"	22.989218
"326261"	88.050647	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+Na"	23.996494
"716497"	126.076847	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+Na"	23.996494
"1468129"	50.024447	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+Na"	23.996494
"1058094"	33.68539	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2H+Na"	25.00377
"1263051"	109.085886	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+CH3OH+H"	33.033486
"383813"	191.067958	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+K"	38.963158
"741892"	267.120358	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+K"	38.963158
"1543581"	115.015558	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K"	38.963158
"301119"	96.037617	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+H+K"	39.970434
"697556"	134.063817	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+H+K"	39.970434
"1453564"	58.011417	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+K"	39.970434
"249097"	194.138626	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+H"	42.033826
"1222169"	118.086226	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+H"	42.033826
"1208727"	59.546751	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+2H"	43.041102
"197830"	197.07596	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na-H"	44.97116
"638847"	273.12836	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na-H"	44.97116
"1143813"	121.02356	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Na-H"	44.97116
"183093"	99.041618	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2Na"	45.978436
"619736"	137.067818	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2Na"	45.978436
"1124334"	61.015418	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2Na"	45.978436
"1407494"	41.012704	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+2Na"	46.985712
"1442526"	123.065146	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+HCOOH"	47.012746
"230035"	104.07464	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+3H2O+2H"	56.04448
"1516640"	137.11719	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+H"	61.06479
"413047"	107.028588	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+Na+K"	61.952376
"777324"	145.054788	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+Na+K"	61.952376
"1672562"	69.002388	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+K"	61.952376
"259081"	216.120568	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+ACN+Na"	64.015768
"1233976"	140.068168	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+ACN+Na"	64.015768
"1721043"	140.091693	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+HCOOH"	64.039293
"1185304"	48.340018	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+3Na"	68.967654
"1657385"	145.047088	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+HCOOH"	68.994688
"163886"	229.02384	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2K-H"	76.91904
"605270"	305.07624	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2K-H"	76.91904
"1094522"	152.97144	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K-H"	76.91904
"145870"	115.015558	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"2M+2K"	77.926316
"591629"	153.041758	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"3M+2K"	77.926316
"1080516"	76.989358	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K"	77.926316
"1106439"	154.985992	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2K+H"	78.933592
"1346106"	155.073607	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+DMSO+H"	79.021207
"1019861"	159.112776	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+H"	83.060376
"1536042"	160.106408	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+IsoProp+Na+H"	84.054008
"995931"	80.060026	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+2ACN+2H"	84.067652
"1593716"	161.021028	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K+HCOOH"	84.968628
"1424842"	191.052538	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+H+CF3COOH"	115.000138
"1158410"	100.573301	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+3ACN+2H"	125.094202
"1710149"	208.079085	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+NH4+CF3COOH"	132.026685
"1648714"	213.03448	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+Na+CF3COOH"	136.98208
"1584730"	229.00842	"C02917"	"(S)-Propane-12-diol;(S)-12-Propanediol;(S)-Propylene glycol"	"C3H8O2"	"76.0524"	"M+K+CF3COOH"	152.95602
"815096"	137.0715	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M"	0
"978790"	118.05311	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-H2O-H"	-19.01839
"68126"	90.373724	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M-3H"	-3.021828
"515341"	136.064224	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M-3H"	-3.021828
"894724"	44.683224	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-3H"	-3.021828
"10624"	136.064224	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M-2H"	-2.014552
"443623"	204.599974	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M-2H"	-2.014552
"818993"	67.528474	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-2H"	-2.014552
"78983"	273.135724	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M-H"	-1.007276
"518897"	410.207224	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M-H"	-1.007276
"897073"	136.064224	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-H"	-1.007276
"52057"	290.162271	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M-2H+NH4"	16.019271
"489431"	427.233771	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M-2H+NH4"	16.019271
"870517"	153.090771	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-2H+NH4"	16.019271
"41334"	295.117666	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M-2H+Na"	20.974666
"480164"	432.189166	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M-2H+Na"	20.974666
"854686"	158.046166	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-2H+Na"	20.974666
"1620940"	158.046166	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Na-2H"	20.974666
"95770"	154.052563	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M-H+Cl"	33.962126
"538127"	222.588313	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M-H+Cl"	33.962126
"929454"	85.516813	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-H+Cl"	33.962126
"272386"	309.112402	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+Cl"	34.969402
"669188"	446.183902	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+Cl"	34.969402
"1280497"	172.040902	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Cl"	34.969402
"20868"	311.091606	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M-2H+K"	36.948606
"460428"	448.163106	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M-2H+K"	36.948606
"838230"	174.020106	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-2H+K"	36.948606
"1559530"	174.020106	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+K-2H"	36.948606
"943282"	182.069694	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-H+HCOOH"	44.998194
"363807"	319.141201	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+HCOOH-H"	44.998201
"346266"	333.156851	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+Hac-H"	59.013851
"1493485"	196.085351	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Hac-H"	59.013851
"959688"	204.051651	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-H+NaCOOH"	66.980151
"111146"	172.040902	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+2Cl"	69.938804
"555441"	240.576652	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+2Cl"	69.938804
"1025333"	103.505152	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2Cl"	69.938804
"1247098"	215.990385	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Br"	78.918885
"1310638"	218.046372	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Cl+HCOOH"	80.974872
"1323765"	240.028329	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Cl+NaCOOH"	102.956829
"914094"	250.057086	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M-H+CF3COOH"	112.985586
"1290448"	286.033764	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Cl+CF3COOH"	148.962264
"1375171"	102.058824	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H-2H2O"	-35.012676
"1383550"	120.0688	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H-H2O"	-17.0027
"283962"	275.150276	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+H"	1.007276
"676024"	412.221776	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+H"	1.007276
"1354561"	138.078776	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H"	1.007276
"128543"	138.078776	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+2H"	2.014552
"565910"	206.614526	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+2H"	2.014552
"1037748"	69.543026	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2H"	2.014552
"204454"	92.388276	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+3H"	3.021828
"646556"	138.078776	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+3H"	3.021828
"1162843"	46.697776	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+3H"	3.021828
"431237"	292.176823	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+NH4"	18.033823
"793693"	429.248323	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+NH4"	18.033823
"1689660"	155.105323	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+NH4"	18.033823
"336118"	146.5920495	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+H+NH4"	19.041099
"727445"	215.1277995	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+H+NH4"	19.041099
"1481997"	78.0562995	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H+NH4"	19.041099
"398489"	297.132218	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+Na"	22.989218
"762766"	434.203718	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+Na"	22.989218
"1609772"	160.060718	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Na"	22.989218
"324183"	149.069747	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+H+Na"	23.996494
"713325"	217.605497	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+H+Na"	23.996494
"1466050"	80.533997	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H+Na"	23.996494
"1058204"	54.02509	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2H+Na"	25.00377
"1264255"	170.104986	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+CH3OH+H"	33.033486
"385020"	313.106158	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+K"	38.963158
"743094"	450.177658	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+K"	38.963158
"1544784"	176.034658	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+K"	38.963158
"304149"	157.056717	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+H+K"	39.970434
"696571"	225.592467	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+H+K"	39.970434
"1452580"	88.520967	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H+K"	39.970434
"246654"	316.176826	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+ACN+H"	42.033826
"1223374"	179.105326	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+ACN+H"	42.033826
"1204339"	90.056301	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+ACN+2H"	43.041102
"197210"	319.11416	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+2Na-H"	44.97116
"638593"	456.18566	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+2Na-H"	44.97116
"1143922"	182.04266	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2Na-H"	44.97116
"181379"	160.060718	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+2Na"	45.978436
"622762"	228.596468	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+2Na"	45.978436
"1126996"	91.524968	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2Na"	45.978436
"1403593"	61.352404	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H+2Na"	46.985712
"1437896"	184.084246	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H+HCOOH"	47.012746
"230509"	165.09374	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+3H2O+2H"	56.04448
"1518572"	198.13629	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+IsoProp+H"	61.06479
"414249"	168.047688	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+Na+K"	61.952376
"780717"	236.583438	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+Na+K"	61.952376
"1671576"	99.511938	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Na+K"	61.952376
"262472"	338.158768	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+ACN+Na"	64.015768
"1236279"	201.087268	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+ACN+Na"	64.015768
"1716413"	201.110793	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+NH4+HCOOH"	64.039293
"1185414"	68.679718	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+3Na"	68.967654
"1650080"	206.066188	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Na+HCOOH"	68.994688
"158525"	351.06204	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+2K-H"	76.91904
"602827"	488.13354	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+2K-H"	76.91904
"1095725"	213.99054	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2K-H"	76.91904
"149264"	176.034658	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"2M+2K"	77.926316
"587730"	244.570408	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"3M+2K"	77.926316
"1077713"	107.498908	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2K"	77.926316
"1109828"	216.005092	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2K+H"	78.933592
"1342934"	216.092707	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+DMSO+H"	79.021207
"1014746"	220.131876	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2ACN+H"	83.060376
"1537247"	221.125508	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+IsoProp+Na+H"	84.054008
"1003692"	110.569576	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+2ACN+2H"	84.067652
"1601114"	222.040128	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+K+HCOOH"	84.968628
"1427140"	252.071638	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+H+CF3COOH"	115.000138
"1162164"	131.082851	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+3ACN+2H"	125.094202
"1709162"	269.098185	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+NH4+CF3COOH"	132.026685
"1643720"	274.05358	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+Na+CF3COOH"	136.98208
"1576090"	290.02752	"C02918"	"1-Methylnicotinamide;N(1)-Methylnicotinamide"	"C7H9N2O"	"137.0715"	"M+K+CF3COOH"	152.95602
"814113"	386.1213	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M"	0
"982180"	367.10291	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-H2O-H"	-19.01839
"75892"	256.406924	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M-3H"	-3.021828
"514361"	385.114024	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M-3H"	-3.021828
"893254"	127.699824	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-3H"	-3.021828
"13651"	385.114024	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M-2H"	-2.014552
"445921"	578.174674	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M-2H"	-2.014552
"820076"	192.053374	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-2H"	-2.014552
"79578"	771.235324	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M-H"	-1.007276
"518809"	1157.356624	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M-H"	-1.007276
"898522"	385.114024	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-H"	-1.007276
"55449"	788.261871	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M-2H+NH4"	16.019271
"497564"	1174.383171	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M-2H+NH4"	16.019271
"875732"	402.140571	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-2H+NH4"	16.019271
"43631"	793.217266	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M-2H+Na"	20.974666
"478087"	1179.338566	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M-2H+Na"	20.974666
"858806"	407.095966	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-2H+Na"	20.974666
"1619715"	407.095966	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Na-2H"	20.974666
"98678"	403.102363	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M-H+Cl"	33.962126
"542611"	596.163013	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M-H+Cl"	33.962126
"937220"	210.041713	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-H+Cl"	33.962126
"272496"	807.212002	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+Cl"	34.969402
"666015"	1193.333302	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+Cl"	34.969402
"1279515"	421.090702	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Cl"	34.969402
"20978"	809.191206	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M-2H+K"	36.948606
"463821"	1195.312506	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M-2H+K"	36.948606
"839435"	423.069906	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-2H+K"	36.948606
"1561829"	423.069906	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+K-2H"	36.948606
"950808"	431.119494	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-H+HCOOH"	44.998194
"364648"	817.240801	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+HCOOH-H"	44.998201
"355095"	831.256451	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+Hac-H"	59.013851
"1495177"	445.135151	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Hac-H"	59.013851
"959307"	453.101451	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-H+NaCOOH"	66.980151
"111013"	421.090702	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+2Cl"	69.938804
"551054"	614.151352	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+2Cl"	69.938804
"1023623"	228.030052	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2Cl"	69.938804
"1243565"	465.040185	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Br"	78.918885
"1306743"	467.096172	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Cl+HCOOH"	80.974872
"1321446"	489.078129	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Cl+NaCOOH"	102.956829
"914935"	499.106886	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M-H+CF3COOH"	112.985586
"1291652"	535.083564	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Cl+CF3COOH"	148.962264
"1367626"	351.108624	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H-2H2O"	-35.012676
"1383660"	369.1186	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H-H2O"	-17.0027
"283586"	773.249876	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+H"	1.007276
"676211"	1159.371176	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+H"	1.007276
"1351912"	387.128576	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H"	1.007276
"126709"	387.128576	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+2H"	2.014552
"566508"	580.189226	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+2H"	2.014552
"1037536"	194.067926	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2H"	2.014552
"205280"	258.421476	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+3H"	3.021828
"651409"	387.128576	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+3H"	3.021828
"1173544"	129.714376	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+3H"	3.021828
"434630"	790.276423	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+NH4"	18.033823
"794897"	1176.397723	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+NH4"	18.033823
"1690864"	404.155123	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+NH4"	18.033823
"335861"	395.6418495	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+H+NH4"	19.041099
"731562"	588.7024995	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+H+NH4"	19.041099
"1482106"	202.5811995	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H+NH4"	19.041099
"396413"	795.231818	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+Na"	22.989218
"755702"	1181.353118	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+Na"	22.989218
"1603074"	409.110518	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Na"	22.989218
"318826"	398.119547	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+H+Na"	23.996494
"709061"	591.180197	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+H+Na"	23.996494
"1463975"	205.058897	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H+Na"	23.996494
"1053084"	137.04169	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2H+Na"	25.00377
"1257046"	419.154786	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+CH3OH+H"	33.033486
"377344"	811.205758	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+K"	38.963158
"738948"	1197.327058	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+K"	38.963158
"1540389"	425.084458	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+K"	38.963158
"304259"	406.106517	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+H+K"	39.970434
"693400"	599.167167	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+H+K"	39.970434
"1457068"	213.045867	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H+K"	39.970434
"247494"	814.276426	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+ACN+H"	42.033826
"1223484"	428.155126	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+ACN+H"	42.033826
"1207002"	214.581201	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+ACN+2H"	43.041102
"201331"	817.21376	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+2Na-H"	44.97116
"639797"	1203.33506	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+2Na-H"	44.97116
"1144033"	431.09246	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2Na-H"	44.97116
"184407"	409.110518	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+2Na"	45.978436
"621049"	602.171168	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+2Na"	45.978436
"1126378"	216.049868	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2Na"	45.978436
"1409902"	144.369004	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H+2Na"	46.985712
"1442018"	433.134046	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H+HCOOH"	47.012746
"232079"	414.14354	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+3H2O+2H"	56.04448
"1517589"	447.18609	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+IsoProp+H"	61.06479
"418737"	417.097488	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+Na+K"	61.952376
"779733"	610.158138	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+Na+K"	61.952376
"1678250"	224.036838	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Na+K"	61.952376
"262582"	836.258368	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+ACN+Na"	64.015768
"1233105"	450.137068	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+ACN+Na"	64.015768
"1718347"	450.160593	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+NH4+HCOOH"	64.039293
"1187347"	151.696318	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+3Na"	68.967654
"1653961"	455.115988	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Na+HCOOH"	68.994688
"161552"	849.16164	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+2K-H"	76.91904
"603668"	1235.28294	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+2K-H"	76.91904
"1094377"	463.04034	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2K-H"	76.91904
"150467"	425.084458	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"2M+2K"	77.926316
"591849"	618.145108	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"3M+2K"	77.926316
"1082076"	232.023808	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2K"	77.926316
"1108845"	465.054892	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2K+H"	78.933592
"1343044"	465.142507	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+DMSO+H"	79.021207
"1013762"	469.181676	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2ACN+H"	83.060376
"1531888"	470.175308	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+IsoProp+Na+H"	84.054008
"998335"	235.094476	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+2ACN+2H"	84.067652
"1591747"	471.089928	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+K+HCOOH"	84.968628
"1421782"	501.121438	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+H+CF3COOH"	115.000138
"1160816"	255.607751	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+3ACN+2H"	125.094202
"1708179"	518.147985	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+NH4+CF3COOH"	132.026685
"1643830"	523.10338	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+Na+CF3COOH"	136.98208
"1576200"	539.07732	"C02919"	"4-O-beta-D-Glucosyl-sinapate"	"C17H22O10"	"386.1213"	"M+K+CF3COOH"	152.95602
"815316"	284.0685	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M"	0
"982290"	265.05011	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"76731"	188.371724	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"515563"	283.061224	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"893364"	93.682224	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"10845"	283.061224	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"448217"	425.095474	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"821279"	141.026974	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"80177"	567.129724	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"518924"	851.198224	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"903371"	283.061224	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"52278"	584.156271	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"498038"	868.224771	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"876935"	300.087771	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"44105"	589.111666	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"481477"	873.180166	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"857823"	305.043166	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1621528"	305.043166	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"98056"	301.049563	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"540535"	443.083813	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"936237"	159.015313	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"272606"	603.106402	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"668310"	887.174902	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1280718"	319.037902	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"19994"	605.085606	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"459556"	889.154106	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"837358"	321.017106	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1559747"	321.017106	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"943988"	329.066694	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"363298"	613.135201	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"356298"	627.150851	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1495651"	343.082351	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"958731"	351.048651	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"111003"	319.037902	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"551165"	461.072152	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1024459"	177.003652	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1242215"	362.987385	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1304422"	365.043372	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1321069"	387.025329	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"912493"	397.054086	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1294313"	433.030764	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1370287"	249.055824	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1383529"	267.0658	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"283253"	569.144276	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"675837"	853.212776	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1351618"	285.075776	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"125967"	285.075776	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"565888"	427.110026	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1037486"	143.041526	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"204453"	190.386276	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"652248"	285.075776	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1168186"	95.696776	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"428177"	586.170823	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"792453"	870.239323	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1690972"	302.102323	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"332691"	293.5890495	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"729485"	435.6232995	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1481123"	151.5547995	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"396523"	591.126218	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"754839"	875.194718	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1603305"	307.057718	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"320029"	296.066747	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"710264"	438.100997	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1463356"	154.032497	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1053597"	103.02409	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1257464"	317.101986	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"377942"	607.100158	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"738852"	891.168658	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1540054"	323.031658	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"298889"	304.053717	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"691805"	446.087967	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1445994"	162.019467	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"237391"	610.170826	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1214113"	326.102326	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1203466"	163.554801	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"199253"	613.10816	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"639543"	897.17666	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1143049"	329.03966	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"184153"	307.057718	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"621159"	449.091968	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1125758"	165.023468	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1410741"	110.351404	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1442128"	331.081246	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"233282"	312.09074	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1518062"	345.13329	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"421034"	315.044688	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"782030"	457.078938	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1678360"	173.010438	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"262692"	632.152768	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1233214"	348.084268	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1717726"	348.107793	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1182353"	117.678718	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1653337"	353.063188	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"160931"	645.05604	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"599763"	929.12454	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1087195"	360.98754	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"152400"	323.031658	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"590136"	465.065908	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1077566"	180.997408	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1106765"	363.002092	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1339869"	363.089707	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1016056"	367.128876	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1527621"	368.122508	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"998445"	184.068076	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1599510"	369.037128	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1428452"	399.068638	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1160926"	204.581351	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1709382"	416.095185	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1643940"	421.05058	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1576310"	437.02452	"C02920"	"2-Hydroxyformononetin;2-Hydroformononetin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"815426"	238.063	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M"	0
"982400"	219.04461	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H2O-H"	-19.01839
"76113"	157.701390666667	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-3H"	-3.021828
"516403"	237.055724	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-3H"	-3.021828
"893110"	78.3470573333333	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-3H"	-3.021828
"10591"	237.055724	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H"	-2.014552
"448327"	356.087224	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H"	-2.014552
"820661"	118.024224	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H"	-2.014552
"79559"	475.118724	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-H"	-1.007276
"519481"	713.181724	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-H"	-1.007276
"903481"	237.055724	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H"	-1.007276
"52388"	492.145271	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H+NH4"	16.019271
"495231"	730.208271	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H+NH4"	16.019271
"875951"	254.082271	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H+NH4"	16.019271
"41664"	497.100666	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H+Na"	20.974666
"481223"	735.163666	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H+Na"	20.974666
"857203"	259.037666	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H+Na"	20.974666
"1621274"	259.037666	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na-2H"	20.974666
"95616"	255.044063	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-H+Cl"	33.962126
"540645"	374.075563	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-H+Cl"	33.962126
"935254"	136.012563	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+Cl"	33.962126
"272716"	511.095402	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Cl"	34.969402
"666234"	749.158402	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+Cl"	34.969402
"1278640"	273.032402	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl"	34.969402
"19374"	513.074606	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H+K"	36.948606
"459666"	751.137606	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H+K"	36.948606
"838561"	275.011606	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H+K"	36.948606
"1558764"	275.011606	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K-2H"	36.948606
"943005"	283.061194	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+HCOOH"	44.998194
"362677"	521.124201	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+HCOOH-H"	44.998201
"346562"	535.139851	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Hac-H"	59.013851
"1495397"	297.076851	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Hac-H"	59.013851
"958579"	305.043151	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+NaCOOH"	66.980151
"110747"	273.032402	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2Cl"	69.938804
"550668"	392.063902	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2Cl"	69.938804
"1024207"	154.000902	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2Cl"	69.938804
"1242327"	316.981885	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Br"	78.918885
"1305505"	319.037872	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl+HCOOH"	80.974872
"1321179"	341.019829	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl+NaCOOH"	102.956829
"912605"	351.048586	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+CF3COOH"	112.985586
"1294059"	387.025264	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl+CF3COOH"	148.962264
"1370033"	203.050324	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H-2H2O"	-35.012676
"1383273"	221.0603	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H-H2O"	-17.0027
"283200"	477.133276	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H"	1.007276
"676030"	715.196276	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H"	1.007276
"1351403"	239.070276	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H"	1.007276
"128510"	239.070276	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2H"	2.014552
"565685"	358.101776	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2H"	2.014552
"1037070"	120.038776	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2H"	2.014552
"204437"	159.715942666667	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+3H"	3.021828
"651265"	239.070276	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+3H"	3.021828
"1167203"	80.3616093333333	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+3H"	3.021828
"425735"	494.159823	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+NH4"	18.033823
"792564"	732.222823	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+NH4"	18.033823
"1691082"	256.096823	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+NH4"	18.033823
"330979"	247.5835495	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H+NH4"	19.041099
"729595"	366.6150495	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H+NH4"	19.041099
"1479046"	128.5520495	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+NH4"	19.041099
"396633"	499.115218	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Na"	22.989218
"754312"	737.178218	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+Na"	22.989218
"1603295"	261.052218	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na"	22.989218
"320139"	250.061247	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H+Na"	23.996494
"710374"	369.092747	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H+Na"	23.996494
"1464195"	131.029747	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+Na"	23.996494
"1054157"	87.6889233333333	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2H+Na"	25.00377
"1257292"	271.096486	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+CH3OH+H"	33.033486
"377564"	515.089158	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+K"	38.963158
"738719"	753.152158	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+K"	38.963158
"1542195"	277.026158	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K"	38.963158
"298835"	258.048217	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H+K"	39.970434
"691540"	377.079717	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H+K"	39.970434
"1445847"	139.016717	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+K"	39.970434
"235907"	518.159826	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+ACN+H"	42.033826
"1216408"	280.096826	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+ACN+H"	42.033826
"1197010"	140.552051	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+ACN+2H"	43.041102
"194259"	521.09716	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2Na-H"	44.97116
"638193"	759.16016	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2Na-H"	44.97116
"1138419"	283.03416	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2Na-H"	44.97116
"183533"	261.052218	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2Na"	45.978436
"621269"	380.083718	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2Na"	45.978436
"1125868"	142.020718	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2Na"	45.978436
"1406111"	95.0162373333333	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+2Na"	46.985712
"1442238"	285.075746	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+HCOOH"	47.012746
"232663"	266.08524	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+3H2O+2H"	56.04448
"1517079"	299.12779	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+IsoProp+H"	61.06479
"418591"	269.039188	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Na+K"	61.952376
"778857"	388.070688	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+Na+K"	61.952376
"1672274"	150.007688	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na+K"	61.952376
"259522"	540.141768	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+ACN+Na"	64.015768
"1230045"	302.078768	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+ACN+Na"	64.015768
"1716743"	302.102293	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+NH4+HCOOH"	64.039293
"1182463"	102.343551333333	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+3Na"	68.967654
"1652354"	307.057688	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na+HCOOH"	68.994688
"161041"	553.04504	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2K-H"	76.91904
"599509"	791.10804	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2K-H"	76.91904
"1088398"	314.98204	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2K-H"	76.91904
"153239"	277.026158	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2K"	77.926316
"592798"	396.057658	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2K"	77.926316
"1079863"	157.994658	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2K"	77.926316
"1109063"	316.996592	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2K+H"	78.933592
"1339979"	317.084207	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+DMSO+H"	79.021207
"1016166"	321.123376	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2ACN+H"	83.060376
"1531011"	322.117008	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+IsoProp+Na+H"	84.054008
"994180"	161.065326	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2ACN+2H"	84.067652
"1595244"	323.031628	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K+HCOOH"	84.968628
"1425280"	353.063138	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+CF3COOH"	115.000138
"1161034"	181.578601	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+3ACN+2H"	125.094202
"1706211"	370.089685	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+NH4+CF3COOH"	132.026685
"1639674"	375.04508	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na+CF3COOH"	136.98208
"1575327"	391.01902	"C02921"	"2-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K+CF3COOH"	152.95602
"812256"	286.0841	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M"	0
"982510"	267.06571	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"76587"	189.715457333333	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"515785"	285.076824	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"893220"	94.3540906666667	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"11065"	285.076824	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"446250"	428.118874	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"821864"	142.034774	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"86228"	571.160924	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"529068"	857.245024	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"906508"	285.076824	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"57968"	588.187471	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"496435"	874.271571	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"877643"	302.103371	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"43961"	593.142866	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"486888"	879.226966	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"863512"	307.058766	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1624662"	307.058766	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"99007"	303.065163	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"540754"	446.107213	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"935363"	160.023113	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"277201"	607.137602	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"664158"	893.221702	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1277657"	321.053502	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"18028"	609.116806	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"460870"	895.200906	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"838671"	323.032706	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1557052"	323.032706	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"943480"	331.082294	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"364974"	617.166401	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"346306"	631.182051	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1493679"	345.097951	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"958749"	353.064251	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"115229"	321.053502	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"551509"	464.095552	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1025046"	178.011452	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1243896"	365.002985	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1306469"	367.058972	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1323479"	389.040929	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"913447"	399.069686	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1299638"	435.046364	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1380355"	251.071424	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1389828"	269.0814	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"293890"	573.175476	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"676833"	859.259576	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1352089"	287.091376	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"127527"	287.091376	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"567450"	430.133426	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1038805"	144.049326	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"207795"	191.730009333333	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"646995"	287.091376	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1164755"	96.3686426666667	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"438244"	590.202023	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"797052"	876.286123	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1691196"	304.117923	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"336194"	295.6046495	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"731897"	438.6466995	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1480249"	152.5625995	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"402211"	595.157418	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"763936"	881.241518	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1610211"	309.073318	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"321343"	298.082347	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"714858"	441.124397	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1464305"	155.040297	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1059736"	103.695956666667	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1258620"	319.117586	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"378896"	611.131358	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"740618"	897.215458	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1546315"	325.047258	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"300210"	306.069317	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"691573"	449.111367	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1446328"	163.027267	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"235763"	614.202026	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1210926"	328.117926	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1195170"	164.562601	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"192542"	617.13936	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"632467"	903.22346	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1133783"	331.05526	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"182912"	309.073318	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"615909"	452.115368	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1122697"	166.031268	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1406221"	111.023270666667	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1437242"	333.096846	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"228031"	314.10634	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1520470"	347.14889	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"419065"	317.060288	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"784678"	460.102338	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1672016"	174.018238	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"256351"	636.183968	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1231247"	350.099868	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1723779"	350.123393	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1180020"	118.350584666667	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1654653"	355.078788	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"159692"	649.08724	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"601809"	935.17134	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1091425"	363.00314	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"152255"	325.047258	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"590359"	468.089308	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1078150"	182.005208	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1109174"	365.017692	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1347746"	365.105307	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1015182"	369.144476	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1535497"	370.138108	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"994291"	185.075876	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1596449"	371.052728	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1418830"	401.084238	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1156772"	205.589151	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1699031"	418.110785	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1639785"	423.06618	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1574342"	439.04012	"C02922"	"2-O-Methyllicodione"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"813463"	124.0524	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M"	0
"982621"	105.03401	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"66488"	81.694324	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"514798"	123.045124	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"894424"	40.343524	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"10080"	123.045124	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"449640"	185.071324	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"824160"	61.018924	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"83060"	247.097524	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"529179"	371.149924	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"908074"	123.045124	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"61483"	264.124071	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"498731"	388.176471	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"877264"	140.071671	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"45163"	269.079466	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"482904"	393.131866	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"862772"	145.027066	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1624772"	145.027066	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"105675"	141.033463	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"540864"	203.059663	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"932194"	79.007263	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"272943"	283.074202	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"664271"	407.126602	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1279956"	159.021802	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"16679"	285.053406	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"460979"	409.105806	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"838780"	161.001006	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1558987"	161.001006	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"945775"	169.050594	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"362209"	293.103001	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"352246"	307.118651	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1493057"	183.066251	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"962059"	191.032551	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"110967"	159.021802	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"551624"	221.048002	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1023335"	96.995602	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1242552"	202.971285	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1309007"	205.027272	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1329792"	227.009229	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"919759"	237.037986	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1296467"	273.014664	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1380708"	89.039724	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1396499"	107.0497	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"296916"	249.112076	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"688244"	373.164476	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1354022"	125.059676	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"127636"	125.059676	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"566953"	187.085876	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1038183"	63.033476	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"206082"	83.708876	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"648568"	125.059676	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1166692"	42.358076	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"432883"	266.138623	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"797163"	390.191023	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1688023"	142.086223	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"336302"	133.5729495	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"728723"	195.5991495	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1481453"	71.5467495	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"396853"	271.094018	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"757846"	395.146418	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1607041"	147.041618	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"322546"	136.050647	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"714967"	198.076847	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1466601"	74.024447	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1057659"	49.68539	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1261525"	157.085886	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"380100"	287.067958	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"743280"	411.120358	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1540958"	163.015558	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"301415"	144.037617	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"695292"	206.063817	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1446074"	82.011417	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"236256"	290.138626	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1211639"	166.086226	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1196863"	83.546751	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"188653"	293.07596	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"630751"	417.12836	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1134991"	169.02356	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"175726"	147.041618	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"616747"	209.067818	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1120252"	85.015418	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1401224"	57.012704	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1439539"	171.065146	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"233975"	152.07464	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1522404"	185.11719	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"421362"	155.028588	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"782723"	217.054788	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1675408"	93.002388	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"259741"	312.120568	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1237191"	188.068168	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1719150"	188.091693	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1185598"	64.340018	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1654397"	193.047088	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"158219"	325.02384	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"598144"	449.07624	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1085335"	200.97144	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"144341"	163.015558	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"590102"	225.041758	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1070239"	100.989358	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1101018"	202.985992	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1348585"	203.073607	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1016385"	207.112776	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1536699"	208.106408	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"998774"	104.060026	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1598744"	209.021028	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1423310"	239.052538	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1161255"	124.573301	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1710806"	256.079085	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1640988"	261.03448	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1585390"	277.00842	"C02923"	"23-Dihydroxytoluene;3-Methylcatechol"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"812476"	124.0017	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M"	0
"986011"	104.98331	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-H2O-H"	-19.01839
"65504"	81.660524	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M-3H"	-3.021828
"512721"	122.994424	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M-3H"	-3.021828
"887242"	40.326624	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-3H"	-3.021828
"8003"	122.994424	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M-2H"	-2.014552
"449750"	184.995274	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M-2H"	-2.014552
"819896"	60.993574	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-2H"	-2.014552
"79890"	246.996124	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M-H"	-1.007276
"522729"	370.997824	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M-H"	-1.007276
"903810"	122.994424	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-H"	-1.007276
"59279"	264.022671	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M-2H+NH4"	16.019271
"493374"	388.024371	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M-2H+NH4"	16.019271
"871176"	140.020971	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-2H+NH4"	16.019271
"37983"	268.978066	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M-2H+Na"	20.974666
"483013"	392.979766	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M-2H+Na"	20.974666
"861911"	144.976366	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-2H+Na"	20.974666
"1629258"	144.976366	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Na-2H"	20.974666
"101412"	140.982763	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M-H+Cl"	33.962126
"545348"	202.983613	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M-H+Cl"	33.962126
"934491"	78.981913	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-H+Cl"	33.962126
"269772"	282.972802	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+Cl"	34.969402
"663286"	406.974502	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+Cl"	34.969402
"1277879"	158.971102	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Cl"	34.969402
"17276"	284.952006	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M-2H+K"	36.948606
"461089"	408.953706	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M-2H+K"	36.948606
"836703"	160.950306	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-2H+K"	36.948606
"1560189"	160.950306	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+K-2H"	36.948606
"950259"	168.999894	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-H+HCOOH"	44.998194
"364102"	293.001601	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+HCOOH-H"	44.998201
"353450"	307.017251	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+Hac-H"	59.013851
"1493171"	183.015551	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Hac-H"	59.013851
"960103"	190.981851	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-H+NaCOOH"	66.980151
"111443"	158.971102	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+2Cl"	69.938804
"552097"	220.971952	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+2Cl"	69.938804
"1024904"	96.970252	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2Cl"	69.938804
"1243755"	202.920585	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Br"	78.918885
"1306931"	204.976572	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Cl+HCOOH"	80.974872
"1329903"	226.958529	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Cl+NaCOOH"	102.956829
"920963"	236.987286	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M-H+CF3COOH"	112.985586
"1302044"	272.963964	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Cl+CF3COOH"	148.962264
"1378022"	88.989024	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H-2H2O"	-35.012676
"1394423"	106.999	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H-H2O"	-17.0027
"294840"	249.010676	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+H"	1.007276
"686532"	373.012376	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+H"	1.007276
"1358506"	125.008976	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H"	1.007276
"127746"	125.008976	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+2H"	2.014552
"569860"	187.009826	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+2H"	2.014552
"1038290"	63.008126	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2H"	2.014552
"205826"	83.675076	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+3H"	3.021828
"648675"	125.008976	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+3H"	3.021828
"1166799"	42.341176	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+3H"	3.021828
"434087"	266.037223	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+NH4"	18.033823
"799825"	390.038923	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+NH4"	18.033823
"1689228"	142.035523	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+NH4"	18.033823
"335319"	133.5222495	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+H+NH4"	19.041099
"728834"	195.5230995	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+H+NH4"	19.041099
"1482656"	71.5213995	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H+NH4"	19.041099
"396962"	270.992618	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+Na"	22.989218
"759049"	394.994318	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+Na"	22.989218
"1609338"	146.990918	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Na"	22.989218
"322656"	135.999947	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+H+Na"	23.996494
"715077"	198.000797	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+H+Na"	23.996494
"1466711"	73.999097	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H+Na"	23.996494
"1058863"	49.66849	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2H+Na"	25.00377
"1262728"	157.035186	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+CH3OH+H"	33.033486
"382398"	286.966558	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+K"	38.963158
"744483"	410.968258	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+K"	38.963158
"1542528"	162.964858	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+K"	38.963158
"304806"	143.986917	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+H+K"	39.970434
"698319"	205.987767	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+H+K"	39.970434
"1446671"	81.986067	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H+K"	39.970434
"236370"	290.037226	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+ACN+H"	42.033826
"1211264"	166.035526	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+ACN+H"	42.033826
"1197335"	83.521401	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+ACN+2H"	43.041102
"188699"	292.97456	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+2Na-H"	44.97116
"629063"	416.97626	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+2Na-H"	44.97116
"1136924"	168.97286	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2Na-H"	44.97116
"175836"	146.990918	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+2Na"	45.978436
"616857"	208.991768	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+2Na"	45.978436
"1119630"	84.990068	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2Na"	45.978436
"1401331"	56.995804	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H+2Na"	46.985712
"1433088"	171.014446	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H+HCOOH"	47.012746
"231533"	152.02394	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+3H2O+2H"	56.04448
"1522150"	185.06649	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+IsoProp+H"	61.06479
"422563"	154.977888	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+Na+K"	61.952376
"781375"	216.978738	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+Na+K"	61.952376
"1676612"	92.977038	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Na+K"	61.952376
"259853"	312.019168	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+ACN+Na"	64.015768
"1235842"	188.017468	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+ACN+Na"	64.015768
"1722541"	188.040993	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+NH4+HCOOH"	64.039293
"1185710"	64.323118	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+3Na"	68.967654
"1654506"	192.996388	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Na+HCOOH"	68.994688
"161005"	324.92244	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+2K-H"	76.91904
"600933"	448.92414	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+2K-H"	76.91904
"1085811"	200.92074	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2K-H"	76.91904
"144451"	162.964858	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"2M+2K"	77.926316
"590212"	224.965708	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"3M+2K"	77.926316
"1071809"	100.964008	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2K"	77.926316
"1101737"	202.935292	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2K+H"	78.933592
"1347602"	203.022907	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+DMSO+H"	79.021207
"1011027"	207.062076	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2ACN+H"	83.060376
"1532434"	208.055708	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+IsoProp+Na+H"	84.054008
"1002164"	104.034676	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+2ACN+2H"	84.067652
"1598854"	208.970328	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+K+HCOOH"	84.968628
"1423420"	239.001838	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+H+CF3COOH"	115.000138
"1156990"	124.547951	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+3ACN+2H"	125.094202
"1705448"	256.028385	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+NH4+CF3COOH"	132.026685
"1637819"	260.98378	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+Na+CF3COOH"	136.98208
"1585500"	276.95772	"C02924"	"Dimercaprol;23-Mercaptopropanol;23-Dimercapto-1-propanol;British anti-lewisite"	"C3H8OS2"	"124.0017"	"M+K+CF3COOH"	152.95602
"809306"	101.0477	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M"	0
"979561"	82.02931	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"65615"	66.3578573333333	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"512831"	100.040424	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"887352"	32.6752906666667	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"4833"	100.040424	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"446580"	150.564274	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"821099"	49.516574	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"83280"	201.088124	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"522839"	302.135824	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"903920"	100.040424	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"57203"	218.114671	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"493484"	319.162371	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"870193"	117.066971	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"40280"	223.070066	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"483123"	324.117766	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"863479"	122.022366	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1627181"	122.022366	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"100429"	118.028763	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"545458"	168.552613	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"934601"	67.504913	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"268179"	237.064802	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"662296"	338.112502	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1274708"	136.017102	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"19451"	239.044006	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"457919"	340.091706	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"833046"	137.996306	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1559206"	137.996306	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"950369"	146.045894	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"364212"	247.093601	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"351373"	261.109251	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1495834"	160.061551	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"960094"	168.027851	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"112283"	136.017102	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"554030"	186.540952	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1026107"	85.493252	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1243501"	179.966585	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1308137"	182.022572	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1330013"	204.004529	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"921073"	214.033286	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1302158"	250.009964	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1380317"	66.035024	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1393439"	84.045	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"294950"	203.102676	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"685549"	304.150376	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1357523"	102.054976	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"128585"	102.054976	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"569242"	152.578826	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1039858"	51.531126	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"206424"	68.3724093333333	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"647325"	102.054976	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1172017"	34.6898426666667	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"434199"	220.129223	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"795194"	321.176923	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1689337"	119.081523	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"335796"	110.5682495	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"732224"	161.0920995	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1486044"	60.0443995	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"397072"	225.084618	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"762440"	326.132318	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1607259"	124.036918	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"320579"	113.045947	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"714094"	163.569797	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1467914"	62.522097	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1062253"	42.0171566666667	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1263933"	134.081186	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"385788"	241.058558	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"743500"	342.106258	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1543368"	140.010858	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"307102"	121.032917	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"697336"	171.556767	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1447512"	70.509067	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"238670"	244.129226	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1212107"	143.081526	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1197449"	72.044401	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"189099"	247.06656	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"629065"	348.11426	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1136670"	146.01886	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"177404"	124.036918	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"619521"	174.560768	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1121930"	73.513068	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1401081"	49.3444706666667	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1435383"	148.060446	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"222893"	129.06994	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1522866"	162.11249	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"422312"	132.023888	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"780391"	182.547738	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1675627"	81.500038	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"263244"	266.111168	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1234858"	165.063468	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1721560"	165.086993	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1192383"	56.6717846666667	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1655712"	170.042388	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"157716"	279.01444	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"597557"	380.06214	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1084582"	177.96674	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"144561"	140.010858	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"593239"	190.534708	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1078480"	89.487008	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1113515"	179.981292	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1349170"	180.068907	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1010411"	184.108076	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1534732"	185.101708	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"1002637"	92.557676	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1598600"	186.016328	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1422438"	216.047838	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1154913"	113.070951	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1708839"	233.074385	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1635742"	238.02978	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1585610"	254.00372	"C02926"	"Homoserine lactone;2-Aminobutan-4-olide"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"813792"	354.0587	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M"	0
"988057"	335.04031	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-H2O-H"	-19.01839
"76908"	235.031857333333	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M-3H"	-3.021828
"517317"	353.051424	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M-3H"	-3.021828
"894029"	117.012290666667	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-3H"	-3.021828
"14427"	353.051424	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M-2H"	-2.014552
"454675"	530.080774	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M-2H"	-2.014552
"831748"	176.022074	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-2H"	-2.014552
"93608"	707.110124	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M-H"	-1.007276
"533529"	1061.168824	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M-H"	-1.007276
"904035"	353.051424	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-H"	-1.007276
"60597"	724.136671	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M-2H+NH4"	16.019271
"501741"	1078.195371	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M-2H+NH4"	16.019271
"877964"	370.077971	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-2H+NH4"	16.019271
"45263"	729.092066	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M-2H+Na"	20.974666
"483603"	1083.150766	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M-2H+Na"	20.974666
"855573"	375.033366	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-2H+Na"	20.974666
"1624013"	375.033366	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Na-2H"	20.974666
"100543"	371.039763	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M-H+Cl"	33.962126
"541198"	548.069113	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M-H+Cl"	33.962126
"930338"	194.010413	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-H+Cl"	33.962126
"269993"	743.086802	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+Cl"	34.969402
"673351"	1097.145502	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+Cl"	34.969402
"1285755"	389.028102	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Cl"	34.969402
"27218"	745.066006	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M-2H+K"	36.948606
"464591"	1099.124706	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M-2H+K"	36.948606
"844580"	391.007306	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-2H+K"	36.948606
"1563695"	391.007306	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+K-2H"	36.948606
"955954"	399.056894	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-H+HCOOH"	44.998194
"374534"	753.115601	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+HCOOH-H"	44.998201
"354770"	767.131251	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+Hac-H"	59.013851
"1504695"	413.072551	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Hac-H"	59.013851
"965677"	421.038851	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-H+NaCOOH"	66.980151
"117864"	389.028102	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+2Cl"	69.938804
"555237"	566.057452	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+2Cl"	69.938804
"1030598"	211.998752	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2Cl"	69.938804
"1254551"	432.977585	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Br"	78.918885
"1314813"	435.033572	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Cl+HCOOH"	80.974872
"1333773"	457.015529	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Cl+NaCOOH"	102.956829
"918997"	467.044286	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M-H+CF3COOH"	112.985586
"1297894"	503.020964	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Cl+CF3COOH"	148.962264
"1381161"	319.046024	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H-2H2O"	-35.012676
"1397200"	337.056	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H-H2O"	-17.0027
"294333"	709.124676	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+H"	1.007276
"682379"	1063.183376	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+H"	1.007276
"1360915"	355.065976	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H"	1.007276
"131617"	355.065976	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+2H"	2.014552
"568622"	532.095326	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+2H"	2.014552
"1041070"	178.036626	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2H"	2.014552
"206050"	237.046409333333	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+3H"	3.021828
"657287"	355.065976	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+3H"	3.021828
"1174684"	119.026842666667	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+3H"	3.021828
"433217"	726.151223	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+NH4"	18.033823
"795305"	1080.209923	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+NH4"	18.033823
"1688357"	372.092523	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+NH4"	18.033823
"335543"	363.5792495	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+H+NH4"	19.041099
"731245"	540.6085995	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+H+NH4"	19.041099
"1491508"	186.5498995	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H+NH4"	19.041099
"401559"	731.106618	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+Na"	22.989218
"768756"	1085.165318	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+Na"	22.989218
"1617100"	377.047918	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Na"	22.989218
"326161"	366.056947	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+H+Na"	23.996494
"722106"	543.086297	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+H+Na"	23.996494
"1476047"	189.027597	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H+Na"	23.996494
"1062002"	126.354156666667	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2H+Na"	25.00377
"1266959"	387.092186	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+CH3OH+H"	33.033486
"382618"	747.080558	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+K"	38.963158
"742518"	1101.139258	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+K"	38.963158
"1542387"	393.021858	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+K"	38.963158
"299196"	374.043917	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+H+K"	39.970434
"698549"	551.073267	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+H+K"	39.970434
"1457475"	197.014567	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H+K"	39.970434
"249723"	750.151226	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+ACN+H"	42.033826
"1220243"	396.092526	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+ACN+H"	42.033826
"1200845"	198.549901	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+ACN+2H"	43.041102
"198090"	753.08856	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+2Na-H"	44.97116
"641298"	1107.14726	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+2Na-H"	44.97116
"1144438"	399.02986	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2Na-H"	44.97116
"183354"	377.047918	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+2Na"	45.978436
"625102"	554.077268	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+2Na"	45.978436
"1129582"	200.018568	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2Na"	45.978436
"1411037"	133.681470666667	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H+2Na"	46.985712
"1443154"	401.071446	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H+HCOOH"	47.012746
"228477"	382.08094	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+3H2O+2H"	56.04448
"1518727"	415.12349	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+IsoProp+H"	61.06479
"416225"	385.034888	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+Na+K"	61.952376
"777223"	562.064238	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+Na+K"	61.952376
"1671366"	208.005538	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Na+K"	61.952376
"257154"	772.133168	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+ACN+Na"	64.015768
"1232778"	418.074468	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+ACN+Na"	64.015768
"1720573"	418.097993	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+NH4+HCOOH"	64.039293
"1185928"	141.008784666667	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+3Na"	68.967654
"1652174"	423.053388	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Na+HCOOH"	68.994688
"165969"	785.03644	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+2K-H"	76.91904
"604437"	1139.09514	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+2K-H"	76.91904
"1099817"	430.97774	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2K-H"	76.91904
"155496"	393.021858	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"2M+2K"	77.926316
"596636"	570.051208	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"3M+2K"	77.926316
"1082969"	215.992508	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2K"	77.926316
"1112897"	432.992292	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2K+H"	78.933592
"1349282"	433.079907	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+DMSO+H"	79.021207
"1018538"	437.119076	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2ACN+H"	83.060376
"1534842"	438.112708	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+IsoProp+Na+H"	84.054008
"1000195"	219.063176	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+2ACN+2H"	84.067652
"1598710"	439.027328	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+K+HCOOH"	84.968628
"1424735"	469.058838	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+H+CF3COOH"	115.000138
"1157210"	239.576451	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+3ACN+2H"	125.094202
"1710042"	486.085385	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+NH4+CF3COOH"	132.026685
"1639132"	491.04078	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+Na+CF3COOH"	136.98208
"1585720"	507.01472	"C02927"	"2-Caffeoylisocitrate;(E)-Caffeoylisocitrate"	"C15H14O10"	"354.0587"	"M+K+CF3COOH"	152.95602
"815360"	164.0321	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M"	0
"983061"	145.01371	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-H2O-H"	-19.01839
"65105"	108.347457333333	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M-3H"	-3.021828
"517427"	163.024824	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M-3H"	-3.021828
"894988"	53.6700906666667	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-3H"	-3.021828
"15143"	163.024824	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M-2H"	-2.014552
"454213"	245.040874	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M-2H"	-2.014552
"831288"	81.008774	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-2H"	-2.014552
"90062"	327.056924	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M-H"	-1.007276
"529622"	491.089024	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M-H"	-1.007276
"904145"	163.024824	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-H"	-1.007276
"59614"	344.083471	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M-2H+NH4"	16.019271
"502098"	508.115571	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M-2H+NH4"	16.019271
"877951"	180.051371	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-2H+NH4"	16.019271
"46343"	349.038866	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M-2H+Na"	20.974666
"484077"	513.070966	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M-2H+Na"	20.974666
"855683"	185.006766	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-2H+Na"	20.974666
"1621935"	185.006766	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Na-2H"	20.974666
"101747"	181.013163	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M-H+Cl"	33.962126
"540213"	263.029213	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M-H+Cl"	33.962126
"932636"	98.997113	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-H+Cl"	33.962126
"267278"	363.033602	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+Cl"	34.969402
"670181"	527.065702	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+Cl"	34.969402
"1283679"	199.001502	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Cl"	34.969402
"24048"	365.012806	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M-2H+K"	36.948606
"461421"	529.044906	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M-2H+K"	36.948606
"841410"	200.980706	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-2H+K"	36.948606
"1563805"	200.980706	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+K-2H"	36.948606
"952784"	209.030294	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-H+HCOOH"	44.998194
"370997"	373.062401	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+HCOOH-H"	44.998201
"357068"	387.078051	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+Hac-H"	59.013851
"1502618"	223.045951	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Hac-H"	59.013851
"963599"	231.012251	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-H+NaCOOH"	66.980151
"117974"	199.001502	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+2Cl"	69.938804
"555347"	281.017552	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+2Cl"	69.938804
"1028521"	116.985452	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2Cl"	69.938804
"1253567"	242.950985	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Br"	78.918885
"1314925"	245.006972	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Cl+HCOOH"	80.974872
"1330237"	266.988929	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Cl+NaCOOH"	102.956829
"919107"	277.017686	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M-H+CF3COOH"	112.985586
"1301651"	312.994364	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Cl+CF3COOH"	148.962264
"1380542"	129.019424	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H-2H2O"	-35.012676
"1396946"	147.0294	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H-H2O"	-17.0027
"294444"	329.071476	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+H"	1.007276
"684676"	493.103576	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+H"	1.007276
"1363212"	165.039376	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H"	1.007276
"131727"	165.039376	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+2H"	2.014552
"569095"	247.055426	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+2H"	2.014552
"1044094"	83.023326	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2H"	2.014552
"207616"	110.362009333333	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+3H"	3.021828
"657397"	165.039376	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+3H"	3.021828
"1175523"	55.6846426666667	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+3H"	3.021828
"437218"	346.098023	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+NH4"	18.033823
"798697"	510.130123	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+NH4"	18.033823
"1690651"	182.065923	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+NH4"	18.033823
"335653"	173.5526495	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+H+NH4"	19.041099
"729169"	255.5686995	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+H+NH4"	19.041099
"1486270"	91.5365995	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H+NH4"	19.041099
"396201"	351.053418	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+Na"	22.989218
"768866"	515.085518	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+Na"	22.989218
"1616725"	187.021318	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Na"	22.989218
"327366"	176.030347	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+H+Na"	23.996494
"720518"	258.046397	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+H+Na"	23.996494
"1474701"	94.014297	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H+Na"	23.996494
"1062476"	63.0119566666667	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2H+Na"	25.00377
"1265246"	197.065586	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+CH3OH+H"	33.033486
"384914"	367.027358	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+K"	38.963158
"741535"	531.059458	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+K"	38.963158
"1541405"	202.995258	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+K"	38.963158
"299670"	184.017317	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+H+K"	39.970434
"698659"	266.033367	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+H+K"	39.970434
"1455764"	102.001267	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H+K"	39.970434
"249469"	370.098026	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+ACN+H"	42.033826
"1219260"	206.065926	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+ACN+H"	42.033826
"1202049"	103.536601	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+ACN+2H"	43.041102
"197107"	373.03536	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+2Na-H"	44.97116
"639947"	537.06746	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+2Na-H"	44.97116
"1143453"	209.00326	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2Na-H"	44.97116
"182368"	187.021318	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+2Na"	45.978436
"620836"	269.037368	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+2Na"	45.978436
"1127988"	105.005268	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2Na"	45.978436
"1411875"	70.3392706666667	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H+2Na"	46.985712
"1439984"	211.044846	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H+HCOOH"	47.012746
"227494"	192.05434	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+3H2O+2H"	56.04448
"1518837"	225.09689	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+IsoProp+H"	61.06479
"417429"	195.008288	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+Na+K"	61.952376
"778426"	277.024338	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+Na+K"	61.952376
"1671110"	112.992238	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Na+K"	61.952376
"255076"	392.079968	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+ACN+Na"	64.015768
"1235076"	228.047868	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+ACN+Na"	64.015768
"1717765"	228.071393	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+NH4+HCOOH"	64.039293
"1186401"	77.6665846666667	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+3Na"	68.967654
"1652284"	233.026788	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Na+HCOOH"	68.994688
"163893"	404.98324	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+2K-H"	76.91904
"603454"	569.01534	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+2K-H"	76.91904
"1099154"	240.95114	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2K-H"	76.91904
"156093"	202.995258	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"2M+2K"	77.926316
"596140"	285.011308	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"3M+2K"	77.926316
"1084018"	120.979208	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2K"	77.926316
"1114952"	242.965692	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2K+H"	78.933592
"1351215"	243.053307	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+DMSO+H"	79.021207
"1017919"	247.092476	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2ACN+H"	83.060376
"1534951"	248.086108	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+IsoProp+Na+H"	84.054008
"1000305"	124.049876	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+2ACN+2H"	84.067652
"1602424"	249.000728	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+K+HCOOH"	84.968628
"1424845"	279.032238	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+H+CF3COOH"	115.000138
"1158414"	144.563151	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+3ACN+2H"	125.094202
"1709059"	296.058785	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+NH4+CF3COOH"	132.026685
"1639243"	301.01418	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+Na+CF3COOH"	136.98208
"1585830"	316.98812	"C02928"	"2-Dehydro-D-xylonate"	"C5H8O6"	"164.0321"	"M+K+CF3COOH"	152.95602
"814740"	144.0423	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M"	0
"986452"	125.02391	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-H2O-H"	-19.01839
"75788"	95.020924	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M-3H"	-3.021828
"516445"	143.035024	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M-3H"	-3.021828
"895341"	47.006824	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-3H"	-3.021828
"12821"	143.035024	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M-2H"	-2.014552
"452380"	215.056174	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M-2H"	-2.014552
"830181"	71.013874	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-2H"	-2.014552
"92359"	287.077324	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M-H"	-1.007276
"533628"	431.119624	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M-H"	-1.007276
"910580"	143.035024	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-H"	-1.007276
"60819"	304.103871	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M-2H+NH4"	16.019271
"499287"	448.146171	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M-2H+NH4"	16.019271
"877819"	160.061571	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-2H+NH4"	16.019271
"44992"	309.059266	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M-2H+Na"	20.974666
"483456"	453.101566	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M-2H+Na"	20.974666
"852877"	165.016966	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-2H+Na"	20.974666
"1622773"	165.016966	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Na-2H"	20.974666
"99670"	161.023363	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M-H+Cl"	33.962126
"535953"	233.044513	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M-H+Cl"	33.962126
"929468"	89.002213	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-H+Cl"	33.962126
"274586"	323.054002	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+Cl"	34.969402
"672481"	467.096302	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+Cl"	34.969402
"1286341"	179.011702	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Cl"	34.969402
"26347"	325.033206	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M-2H+K"	36.948606
"467001"	469.075506	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M-2H+K"	36.948606
"839334"	180.990906	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-2H+K"	36.948606
"1565011"	180.990906	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+K-2H"	36.948606
"951799"	189.040494	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-H+HCOOH"	44.998194
"366733"	333.082801	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+HCOOH-H"	44.998201
"358270"	347.098451	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+Hac-H"	59.013851
"1503825"	203.056151	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Hac-H"	59.013851
"966991"	211.022451	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-H+NaCOOH"	66.980151
"115898"	179.011702	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+2Cl"	69.938804
"560927"	251.032852	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+2Cl"	69.938804
"1027539"	106.990552	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2Cl"	69.938804
"1253681"	222.961185	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Br"	78.918885
"1315768"	225.017172	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Cl+HCOOH"	80.974872
"1333265"	246.999129	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Cl+NaCOOH"	102.956829
"924323"	257.027886	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M-H+CF3COOH"	112.985586
"1298114"	293.004564	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Cl+CF3COOH"	148.962264
"1376274"	109.029624	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H-2H2O"	-35.012676
"1393772"	127.0396	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H-H2O"	-17.0027
"295646"	289.091876	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+H"	1.007276
"684787"	433.134176	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+H"	1.007276
"1354574"	145.049576	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H"	1.007276
"128557"	145.049576	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+2H"	2.014552
"572491"	217.070726	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+2H"	2.014552
"1042018"	73.028426	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2H"	2.014552
"213568"	97.035476	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+3H"	3.021828
"658605"	145.049576	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+3H"	3.021828
"1176972"	49.021376	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+3H"	3.021828
"437811"	306.118423	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+NH4"	18.033823
"799780"	450.160723	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+NH4"	18.033823
"1689672"	162.076123	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+NH4"	18.033823
"340139"	153.5628495	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+H+NH4"	19.041099
"732560"	225.5839995	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+H+NH4"	19.041099
"1484193"	81.5416995	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H+NH4"	19.041099
"401780"	311.073818	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+Na"	22.989218
"769219"	455.116118	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+Na"	22.989218
"1614891"	167.031518	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Na"	22.989218
"328088"	156.040547	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+H+Na"	23.996494
"721356"	228.061697	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+H+Na"	23.996494
"1470436"	84.019397	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H+Na"	23.996494
"1063678"	56.34869	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2H+Na"	25.00377
"1267910"	177.075786	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+CH3OH+H"	33.033486
"386848"	327.047758	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+K"	38.963158
"744927"	471.090058	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+K"	38.963158
"1544793"	183.005458	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+K"	38.963158
"300877"	164.027517	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+H+K"	39.970434
"698769"	236.048667	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+H+K"	39.970434
"1453686"	92.006367	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H+K"	39.970434
"249945"	330.118426	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+ACN+H"	42.033826
"1220464"	186.076126	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+ACN+H"	42.033826
"1208117"	93.541701	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+ACN+2H"	43.041102
"200498"	333.05576	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+2Na-H"	44.97116
"643102"	477.09806	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+2Na-H"	44.97116
"1141378"	189.01346	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2Na-H"	44.97116
"186493"	167.031518	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+2Na"	45.978436
"623500"	239.052668	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+2Na"	45.978436
"1127369"	95.010368	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2Na"	45.978436
"1411625"	63.676004	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H+2Na"	46.985712
"1444107"	191.055046	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H+HCOOH"	47.012746
"228696"	172.06454	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+3H2O+2H"	56.04448
"1518949"	205.10709	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+IsoProp+H"	61.06479
"413167"	175.018488	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+Na+K"	61.952376
"775257"	247.039638	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+Na+K"	61.952376
"1669763"	102.997338	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Na+K"	61.952376
"254091"	352.100368	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+ACN+Na"	64.015768
"1231905"	208.058068	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+ACN+Na"	64.015768
"1717146"	208.081593	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+NH4+HCOOH"	64.039293
"1182867"	71.003318	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+3Na"	68.967654
"1653860"	213.036988	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Na+HCOOH"	68.994688
"168379"	365.00364	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+2K-H"	76.91904
"610493"	509.04594	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+2K-H"	76.91904
"1098780"	220.96134	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2K-H"	76.91904
"155961"	183.005458	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"2M+2K"	77.926316
"596005"	255.026608	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"3M+2K"	77.926316
"1083560"	110.984308	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2K"	77.926316
"1114701"	222.975892	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2K+H"	78.933592
"1350718"	223.063507	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+DMSO+H"	79.021207
"1014749"	227.102676	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2ACN+H"	83.060376
"1535062"	228.096308	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+IsoProp+Na+H"	84.054008
"1003697"	114.054976	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+2ACN+2H"	84.067652
"1597107"	229.010928	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+K+HCOOH"	84.968628
"1422767"	259.042438	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+H+CF3COOH"	115.000138
"1155243"	134.568251	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+3ACN+2H"	125.094202
"1703700"	276.068985	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+NH4+CF3COOH"	132.026685
"1644819"	281.02438	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+Na+CF3COOH"	136.98208
"1579377"	296.99832	"C02930"	"2-Methyleneglutarate;alpha-Methylene glutarate"	"C6H8O4"	"144.0423"	"M+K+CF3COOH"	152.95602
"816307"	111.032	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M"	0
"987657"	92.01361	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H2O-H"	-19.01839
"78049"	73.0140573333333	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-3H"	-3.021828
"515462"	110.024724	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-3H"	-3.021828
"895564"	36.0033906666667	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-3H"	-3.021828
"15038"	110.024724	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H"	-2.014552
"453584"	165.540724	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H"	-2.014552
"831266"	54.508724	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H"	-2.014552
"90282"	221.056724	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-H"	-1.007276
"534236"	332.088724	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-H"	-1.007276
"911338"	110.024724	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H"	-1.007276
"57649"	238.083271	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+NH4"	16.019271
"499397"	349.115271	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+NH4"	16.019271
"877565"	127.051271	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+NH4"	16.019271
"45466"	243.038666	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+Na"	20.974666
"482472"	354.070666	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+Na"	20.974666
"854809"	132.006666	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+Na"	20.974666
"1624340"	132.006666	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na-2H"	20.974666
"97957"	128.013063	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-H+Cl"	33.962126
"539344"	183.529063	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-H+Cl"	33.962126
"929942"	72.497063	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+Cl"	33.962126
"269593"	257.033402	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Cl"	34.969402
"674413"	368.065402	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Cl"	34.969402
"1286451"	146.001402	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl"	34.969402
"25363"	259.012606	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+K"	36.948606
"467111"	370.044606	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+K"	36.948606
"839444"	147.980606	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+K"	36.948606
"1567308"	147.980606	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K-2H"	36.948606
"951909"	156.030194	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+HCOOH"	44.998194
"366843"	267.062201	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+HCOOH-H"	44.998201
"358380"	281.077851	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Hac-H"	59.013851
"1504663"	170.045851	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Hac-H"	59.013851
"967101"	178.012151	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+NaCOOH"	66.980151
"116008"	146.001402	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Cl"	69.938804
"561037"	201.517402	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Cl"	69.938804
"1029835"	90.485402	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Cl"	69.938804
"1253791"	189.950885	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Br"	78.918885
"1316970"	192.006872	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+HCOOH"	80.974872
"1331189"	213.988829	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+NaCOOH"	102.956829
"919330"	224.017586	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+CF3COOH"	112.985586
"1292027"	259.994264	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+CF3COOH"	148.962264
"1373104"	76.019324	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H-2H2O"	-35.012676
"1394976"	94.0293	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H-H2O"	-17.0027
"290287"	223.071276	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H"	1.007276
"681615"	334.103276	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H"	1.007276
"1353952"	112.039276	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H"	1.007276
"127934"	112.039276	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2H"	2.014552
"567495"	167.555276	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2H"	2.014552
"1040305"	56.523276	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2H"	2.014552
"213678"	75.0286093333333	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+3H"	3.021828
"658349"	112.039276	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+3H"	3.021828
"1176839"	38.0179426666667	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3H"	3.021828
"436828"	240.097823	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+NH4"	18.033823
"798189"	351.129823	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+NH4"	18.033823
"1688689"	129.065823	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4"	18.033823
"340249"	120.5525495	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+NH4"	19.041099
"732670"	176.0685495	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+NH4"	19.041099
"1484303"	65.0365495	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+NH4"	19.041099
"400797"	245.053218	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Na"	22.989218
"769086"	356.085218	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Na"	22.989218
"1615365"	134.021218	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na"	22.989218
"327952"	123.030247	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+Na"	23.996494
"721100"	178.546247	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+Na"	23.996494
"1474555"	67.514247	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+Na"	23.996494
"1061602"	45.3452566666667	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2H+Na"	25.00377
"1265468"	144.065486	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+CH3OH+H"	33.033486
"385134"	261.027158	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+K"	38.963158
"747953"	372.059158	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+K"	38.963158
"1543809"	149.995158	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K"	38.963158
"302080"	131.017217	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+K"	39.970434
"697786"	186.533217	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+K"	39.970434
"1452703"	75.501217	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+K"	39.970434
"248959"	264.097826	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+ACN+H"	42.033826
"1220574"	153.065826	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+H"	42.033826
"1209484"	77.036551	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+2H"	43.041102
"200608"	267.03516	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Na-H"	44.97116
"643579"	378.06716	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Na-H"	44.97116
"1141488"	156.00316	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Na-H"	44.97116
"186964"	134.021218	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Na"	45.978436
"626525"	189.537218	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Na"	45.978436
"1127843"	78.505218	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Na"	45.978436
"1411369"	52.6725706666667	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+2Na"	46.985712
"1443485"	158.044746	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+HCOOH"	47.012746
"226619"	139.05424	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+3H2O+2H"	56.04448
"1517966"	172.09679	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+IsoProp+H"	61.06479
"414369"	142.008188	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Na+K"	61.952376
"774638"	197.524188	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Na+K"	61.952376
"1669875"	86.492188	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+K"	61.952376
"257483"	286.079768	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+ACN+Na"	64.015768
"1228005"	175.047768	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+Na"	64.015768
"1716892"	175.071293	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4+HCOOH"	64.039293
"1181884"	59.9998846666667	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3Na"	68.967654
"1653970"	180.026688	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+HCOOH"	68.994688
"169582"	298.98304	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2K-H"	76.91904
"608051"	410.01504	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2K-H"	76.91904
"1099498"	187.95104	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K-H"	76.91904
"155950"	149.995158	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2K"	77.926316
"596119"	205.511158	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2K"	77.926316
"1083790"	94.479158	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K"	77.926316
"1113838"	189.965592	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K+H"	78.933592
"1349489"	190.053207	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+DMSO+H"	79.021207
"1015953"	194.092376	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2ACN+H"	83.060376
"1535172"	195.086008	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+IsoProp+Na+H"	84.054008
"1000526"	97.549826	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2ACN+2H"	84.067652
"1597217"	196.000628	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K+HCOOH"	84.968628
"1421784"	226.032138	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+CF3COOH"	115.000138
"1155353"	118.063101	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3ACN+2H"	125.094202
"1702717"	243.058685	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4+CF3COOH"	132.026685
"1644929"	248.01408	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+CF3COOH"	136.98208
"1579487"	263.98802	"C02932"	"34-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K+CF3COOH"	152.95602
"816296"	177.9588	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M"	0
"987766"	158.94041	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H2O-H"	-19.01839
"69447"	117.631924	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-3H"	-3.021828
"513381"	176.951524	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-3H"	-3.021828
"894467"	58.312324	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-3H"	-3.021828
"14134"	176.951524	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H"	-2.014552
"452600"	265.930924	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H"	-2.014552
"830037"	87.972124	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H"	-2.014552
"87112"	354.910324	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-H"	-1.007276
"533727"	532.869124	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-H"	-1.007276
"910552"	176.951524	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H"	-1.007276
"57759"	371.936871	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+NH4"	16.019271
"501572"	549.895671	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+NH4"	16.019271
"877308"	193.978071	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H+NH4"	16.019271
"44114"	376.892266	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+Na"	20.974666
"482582"	554.851066	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+Na"	20.974666
"852733"	198.933466	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H+Na"	20.974666
"1623361"	198.933466	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na-2H"	20.974666
"100982"	194.939863	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-H+Cl"	33.962126
"539454"	283.919263	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-H+Cl"	33.962126
"931509"	105.960463	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+Cl"	33.962126
"270431"	390.887002	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Cl"	34.969402
"673794"	568.845802	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+Cl"	34.969402
"1282917"	212.928202	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl"	34.969402
"25473"	392.866206	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+K"	36.948606
"468314"	570.825006	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+K"	36.948606
"840648"	214.907406	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H+K"	36.948606
"1571190"	214.907406	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K-2H"	36.948606
"952020"	222.956994	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+HCOOH"	44.998194
"366953"	400.915801	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+HCOOH-H"	44.998201
"360193"	414.931451	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Hac-H"	59.013851
"1502950"	236.972651	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Hac-H"	59.013851
"965024"	244.938951	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+NaCOOH"	66.980151
"116118"	212.928202	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2Cl"	69.938804
"557865"	301.907602	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2Cl"	69.938804
"1029944"	123.948802	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2Cl"	69.938804
"1254991"	256.877685	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Br"	78.918885
"1316351"	258.933672	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+HCOOH"	80.974872
"1332028"	280.915629	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+NaCOOH"	102.956829
"922356"	290.944386	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+CF3COOH"	112.985586
"1297240"	326.921064	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+CF3COOH"	148.962264
"1374307"	142.946124	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H-2H2O"	-35.012676
"1396179"	160.9561	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H-H2O"	-17.0027
"290397"	356.924876	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H"	1.007276
"688285"	534.883676	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H"	1.007276
"1354790"	178.966076	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H"	1.007276
"128409"	178.966076	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2H"	2.014552
"568334"	267.945476	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2H"	2.014552
"1042967"	89.986676	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2H"	2.014552
"207223"	119.646476	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+3H"	3.021828
"658825"	178.966076	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+3H"	3.021828
"1176950"	60.326876	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+3H"	3.021828
"438032"	373.951423	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+NH4"	18.033823
"796841"	551.910223	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+NH4"	18.033823
"1687706"	195.992623	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+NH4"	18.033823
"334892"	187.4793495	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H+NH4"	19.041099
"726218"	276.4587495	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H+NH4"	19.041099
"1481133"	98.4999495	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+NH4"	19.041099
"400907"	378.906818	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Na"	22.989218
"767617"	556.865618	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+Na"	22.989218
"1617540"	200.948018	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na"	22.989218
"327697"	189.957047	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H+Na"	23.996494
"720845"	278.936447	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H+Na"	23.996494
"1471749"	100.977647	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+Na"	23.996494
"1061711"	67.65419	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2H+Na"	25.00377
"1264486"	210.992286	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+CH3OH+H"	33.033486
"381964"	394.880758	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+K"	38.963158
"749156"	572.839558	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+K"	38.963158
"1545012"	216.921958	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K"	38.963158
"303283"	197.944017	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H+K"	39.970434
"697896"	286.923417	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H+K"	39.970434
"1458280"	108.964617	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+K"	39.970434
"249069"	397.951426	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+H"	42.033826
"1220684"	219.992626	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+H"	42.033826
"1209853"	110.499951	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+2H"	43.041102
"200718"	400.88876	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2Na-H"	44.97116
"643570"	578.84756	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2Na-H"	44.97116
"1145971"	222.92996	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2Na-H"	44.97116
"188321"	200.948018	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2Na"	45.978436
"628177"	289.927418	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2Na"	45.978436
"1130914"	111.968618	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2Na"	45.978436
"1412939"	74.981504	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+2Na"	46.985712
"1441410"	224.971546	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+HCOOH"	47.012746
"231105"	205.98104	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+3H2O+2H"	56.04448
"1519169"	239.02359	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+H"	61.06479
"414479"	208.934988	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Na+K"	61.952376
"775477"	297.914388	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+Na+K"	61.952376
"1672901"	119.955588	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na+K"	61.952376
"256864"	419.933368	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+Na"	64.015768
"1229575"	241.974568	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+Na"	64.015768
"1717005"	241.998093	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+NH4+HCOOH"	64.039293
"1182360"	82.308818	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+3Na"	68.967654
"1654080"	246.953488	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na+HCOOH"	68.994688
"166412"	432.83664	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2K-H"	76.91904
"604881"	610.79544	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2K-H"	76.91904
"1099365"	254.87784	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2K-H"	76.91904
"156671"	216.921958	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2K"	77.926316
"595495"	305.901358	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2K"	77.926316
"1083657"	127.942558	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2K"	77.926316
"1114190"	256.892392	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2K+H"	78.933592
"1348625"	256.980007	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+DMSO+H"	79.021207
"1017155"	261.019176	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+H"	83.060376
"1535282"	262.012808	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+Na+H"	84.054008
"1000636"	131.013226	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+2H"	84.067652
"1599514"	262.927428	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K+HCOOH"	84.968628
"1421894"	292.958938	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+CF3COOH"	115.000138
"1153276"	151.526501	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+3ACN+2H"	125.094202
"1702827"	309.985485	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+NH4+CF3COOH"	132.026685
"1641759"	314.94088	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na+CF3COOH"	136.98208
"1579597"	330.91482	"C02933"	"35-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K+CF3COOH"	152.95602
"815799"	299.2824	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M"	0
"985689"	280.26401	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-H2O-H"	-19.01839
"69557"	198.514324	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M-3H"	-3.021828
"513491"	298.275124	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M-3H"	-3.021828
"894577"	98.753524	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-3H"	-3.021828
"14610"	298.275124	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M-2H"	-2.014552
"449430"	447.916324	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M-2H"	-2.014552
"830511"	148.633924	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-2H"	-2.014552
"90502"	597.557524	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M-H"	-1.007276
"532617"	896.839924	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M-H"	-1.007276
"908232"	298.275124	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-H"	-1.007276
"57869"	614.584071	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M-2H+NH4"	16.019271
"501803"	913.866471	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M-2H+NH4"	16.019271
"877418"	315.301671	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-2H+NH4"	16.019271
"43860"	619.539466	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M-2H+Na"	20.974666
"484514"	918.821866	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M-2H+Na"	20.974666
"853936"	320.257066	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-2H+Na"	20.974666
"1622009"	320.257066	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Na-2H"	20.974666
"98904"	316.263463	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M-H+Cl"	33.962126
"540657"	465.904663	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M-H+Cl"	33.962126
"938546"	166.622263	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-H+Cl"	33.962126
"270176"	633.534202	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+Cl"	34.969402
"675404"	932.816602	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+Cl"	34.969402
"1285213"	334.251802	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Cl"	34.969402
"25583"	635.513406	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M-2H+K"	36.948606
"468424"	934.795806	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M-2H+K"	36.948606
"841851"	336.231006	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-2H+K"	36.948606
"1571140"	336.231006	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+K-2H"	36.948606
"951766"	344.280594	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-H+HCOOH"	44.998194
"367063"	643.563001	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+HCOOH-H"	44.998201
"356779"	657.578651	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+Hac-H"	59.013851
"1502696"	358.296251	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Hac-H"	59.013851
"966227"	366.262551	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-H+NaCOOH"	66.980151
"114039"	334.251802	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+2Cl"	69.938804
"556882"	483.893002	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+2Cl"	69.938804
"1027869"	184.610602	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2Cl"	69.938804
"1251821"	378.201285	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Br"	78.918885
"1319012"	380.257272	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Cl+HCOOH"	80.974872
"1332138"	402.239229	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Cl+NaCOOH"	102.956829
"923925"	412.267986	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M-H+CF3COOH"	112.985586
"1297351"	448.244664	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Cl+CF3COOH"	148.962264
"1374418"	264.269724	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H-2H2O"	-35.012676
"1395925"	282.2797	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H-H2O"	-17.0027
"291600"	599.572076	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+H"	1.007276
"685115"	898.854476	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+H"	1.007276
"1352713"	300.289676	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H"	1.007276
"126696"	300.289676	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+2H"	2.014552
"567716"	449.930876	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+2H"	2.014552
"1041620"	150.648476	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2H"	2.014552
"207333"	200.528876	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+3H"	3.021828
"658572"	300.289676	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+3H"	3.021828
"1177425"	100.768076	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+3H"	3.021828
"437416"	616.598623	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+NH4"	18.033823
"795857"	915.881023	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+NH4"	18.033823
"1690002"	317.316223	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+NH4"	18.033823
"338281"	308.8029495	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+H+NH4"	19.041099
"727421"	458.4441495	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+H+NH4"	19.041099
"1483429"	159.1617495	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H+NH4"	19.041099
"402110"	621.554018	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+Na"	22.989218
"768575"	920.836418	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+Na"	22.989218
"1615585"	322.271618	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Na"	22.989218
"329266"	311.280647	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+H+Na"	23.996494
"720955"	460.921847	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+H+Na"	23.996494
"1471859"	161.639447	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H+Na"	23.996494
"1061821"	108.09539	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2H+Na"	25.00377
"1265689"	332.315886	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+CH3OH+H"	33.033486
"383167"	637.527958	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+K"	38.963158
"749266"	936.810358	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+K"	38.963158
"1544029"	338.245558	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+K"	38.963158
"302300"	319.267617	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+H+K"	39.970434
"700191"	468.908817	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+H+K"	39.970434
"1460745"	169.626417	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H+K"	39.970434
"248084"	640.598626	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+ACN+H"	42.033826
"1221887"	341.316226	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+ACN+H"	42.033826
"1207956"	171.161751	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+ACN+2H"	43.041102
"201921"	643.53596	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+2Na-H"	44.97116
"643633"	942.81836	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+2Na-H"	44.97116
"1144988"	344.25356	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2Na-H"	44.97116
"187794"	322.271618	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+2Na"	45.978436
"624557"	471.912818	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+2Na"	45.978436
"1129157"	172.630418	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2Na"	45.978436
"1411227"	115.422704	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H+2Na"	46.985712
"1439333"	346.295146	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H+HCOOH"	47.012746
"231215"	327.30464	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+3H2O+2H"	56.04448
"1517092"	360.34719	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+IsoProp+H"	61.06479
"414589"	330.258588	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+Na+K"	61.952376
"775587"	479.899788	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+Na+K"	61.952376
"1671918"	180.617388	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Na+K"	61.952376
"254059"	662.580568	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+ACN+Na"	64.015768
"1230051"	363.298168	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+ACN+Na"	64.015768
"1716021"	363.321693	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+NH4+HCOOH"	64.039293
"1182105"	122.750018	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+3Na"	68.967654
"1652364"	368.277088	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Na+HCOOH"	68.994688
"158250"	675.48384	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+2K-H"	76.91904
"607177"	974.76624	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+2K-H"	76.91904
"1099225"	376.20144	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2K-H"	76.91904
"156860"	338.245558	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"2M+2K"	77.926316
"596335"	487.886758	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"3M+2K"	77.926316
"1083276"	188.604358	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2K"	77.926316
"1114421"	378.215992	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2K+H"	78.933592
"1350319"	378.303607	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+DMSO+H"	79.021207
"1020672"	382.342776	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2ACN+H"	83.060376
"1534299"	383.336408	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+IsoProp+Na+H"	84.054008
"1001839"	191.675026	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+2ACN+2H"	84.067652
"1602420"	384.251028	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+K+HCOOH"	84.968628
"1429295"	414.282538	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+H+CF3COOH"	115.000138
"1156666"	212.188301	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+3ACN+2H"	125.094202
"1700751"	431.309085	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+NH4+CF3COOH"	132.026685
"1641868"	436.26448	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+Na+CF3COOH"	136.98208
"1577520"	452.23842	"C02934"	"3-Dehydrosphinganine;3-Dehydro-D-sphinganine"	"C18H37NO2"	"299.2824"	"M+K+CF3COOH"	152.95602
"815544"	174.0793	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M"	0
"988353"	155.06091	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-H2O-H"	-19.01839
"71854"	115.045590666667	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M-3H"	-3.021828
"515791"	173.072024	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M-3H"	-3.021828
"893959"	57.0191573333333	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-3H"	-3.021828
"14356"	173.072024	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M-2H"	-2.014552
"451727"	260.111674	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M-2H"	-2.014552
"831473"	86.032374	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-2H"	-2.014552
"93044"	347.151324	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M-H"	-1.007276
"532849"	521.230624	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M-H"	-1.007276
"907977"	173.072024	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-H"	-1.007276
"54699"	364.177871	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M-2H+NH4"	16.019271
"500456"	538.257171	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M-2H+NH4"	16.019271
"875342"	190.098571	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-2H+NH4"	16.019271
"45795"	369.133266	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M-2H+Na"	20.974666
"482803"	543.212566	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M-2H+Na"	20.974666
"851860"	195.053966	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-2H+Na"	20.974666
"1619570"	195.053966	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Na-2H"	20.974666
"97921"	191.060363	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M-H+Cl"	33.962126
"539674"	278.100013	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M-H+Cl"	33.962126
"934284"	104.020713	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-H+Cl"	33.962126
"277214"	383.128002	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+Cl"	34.969402
"675353"	557.207302	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+Cl"	34.969402
"1285323"	209.048702	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Cl"	34.969402
"19131"	385.107206	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M-2H+K"	36.948606
"468534"	559.186506	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M-2H+K"	36.948606
"841961"	211.027906	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-2H+K"	36.948606
"1567637"	211.027906	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+K-2H"	36.948606
"954791"	219.077494	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-H+HCOOH"	44.998194
"362798"	393.156801	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+HCOOH-H"	44.998201
"352148"	407.172451	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+Hac-H"	59.013851
"1499888"	233.093151	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Hac-H"	59.013851
"964148"	241.059451	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-H+NaCOOH"	66.980151
"116338"	209.048702	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+2Cl"	69.938804
"555899"	296.088352	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+2Cl"	69.938804
"1025791"	122.009052	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2Cl"	69.938804
"1248651"	252.998185	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Br"	78.918885
"1318756"	255.054172	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Cl+HCOOH"	80.974872
"1332611"	277.036129	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Cl+NaCOOH"	102.956829
"921850"	287.064886	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M-H+CF3COOH"	112.985586
"1299285"	323.041564	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Cl+CF3COOH"	148.962264
"1377808"	139.066624	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H-2H2O"	-35.012676
"1396036"	157.0766	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H-H2O"	-17.0027
"291710"	349.165876	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+H"	1.007276
"685225"	523.245176	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+H"	1.007276
"1352459"	175.086576	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H"	1.007276
"129722"	175.086576	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+2H"	2.014552
"567097"	262.126226	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+2H"	2.014552
"1039543"	88.046926	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2H"	2.014552
"207443"	117.060142666667	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+3H"	3.021828
"656853"	175.086576	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+3H"	3.021828
"1177535"	59.0337093333333	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+3H"	3.021828
"435704"	366.192423	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+NH4"	18.033823
"795605"	540.271723	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+NH4"	18.033823
"1690110"	192.113123	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+NH4"	18.033823
"336202"	183.5998495	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+H+NH4"	19.041099
"726434"	270.6394995	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+H+NH4"	19.041099
"1483539"	96.5601995	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H+NH4"	19.041099
"401127"	371.147818	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+Na"	22.989218
"767592"	545.227118	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+Na"	22.989218
"1614602"	197.068518	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Na"	22.989218
"327917"	186.077547	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+H+Na"	23.996494
"719972"	273.117197	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+H+Na"	23.996494
"1473792"	99.037897	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H+Na"	23.996494
"1060839"	66.3610233333333	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2H+Na"	25.00377
"1264706"	207.112786	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+CH3OH+H"	33.033486
"387652"	387.121758	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+K"	38.963158
"751563"	561.201058	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+K"	38.963158
"1544503"	213.042458	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+K"	38.963158
"303138"	194.064517	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+H+K"	39.970434
"697021"	281.104167	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+H+K"	39.970434
"1458135"	107.024867	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H+K"	39.970434
"247830"	390.192426	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+ACN+H"	42.033826
"1218717"	216.113126	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+ACN+H"	42.033826
"1207338"	108.560201	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+ACN+2H"	43.041102
"200939"	393.12976	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+2Na-H"	44.97116
"642689"	567.20906	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+2Na-H"	44.97116
"1145343"	219.05046	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2Na-H"	44.97116
"185840"	197.068518	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+2Na"	45.978436
"623943"	284.108168	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+2Na"	45.978436
"1128180"	110.028868	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2Na"	45.978436
"1408423"	73.6883373333333	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H+2Na"	46.985712
"1437259"	221.092046	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H+HCOOH"	47.012746
"231327"	202.10154	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+3H2O+2H"	56.04448
"1516109"	235.14409	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+IsoProp+H"	61.06479
"414699"	205.055488	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+Na+K"	61.952376
"776790"	292.095138	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+Na+K"	61.952376
"1669841"	118.015838	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Na+K"	61.952376
"254536"	412.174368	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+ACN+Na"	64.015768
"1233440"	238.095068	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+ACN+Na"	64.015768
"1719777"	238.118593	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+NH4+HCOOH"	64.039293
"1182214"	81.0156513333333	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+3Na"	68.967654
"1651745"	243.073988	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Na+HCOOH"	68.994688
"162255"	425.07764	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+2K-H"	76.91904
"611537"	599.15694	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+2K-H"	76.91904
"1097265"	250.99834	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2K-H"	76.91904
"154084"	213.042458	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"2M+2K"	77.926316
"596443"	300.082108	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"3M+2K"	77.926316
"1082533"	126.002808	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2K"	77.926316
"1110277"	253.012892	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2K+H"	78.933592
"1345566"	253.100507	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+DMSO+H"	79.021207
"1020657"	257.139676	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2ACN+H"	83.060376
"1535502"	258.133308	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+IsoProp+Na+H"	84.054008
"1004137"	129.073476	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+2ACN+2H"	84.067652
"1600828"	259.047928	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+K+HCOOH"	84.968628
"1429648"	289.079438	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+H+CF3COOH"	115.000138
"1158964"	149.586751	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+3ACN+2H"	125.094202
"1707422"	306.105985	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+NH4+CF3COOH"	132.026685
"1641979"	311.06138	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+Na+CF3COOH"	136.98208
"1577630"	327.03532	"C02937"	"Indole-3-acetaldehyde oxime;Indole-3-acetaldoxime;3-Indoleacetaldoxime;(E)-Indol-3-ylacetaldoxime"	"C10H10N2O"	"174.0793"	"M+K+CF3COOH"	152.95602
"815905"	156.0687	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M"	0
"988104"	137.05031	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-H2O-H"	-19.01839
"76708"	103.038524	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M-3H"	-3.021828
"517726"	155.061424	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M-3H"	-3.021828
"892612"	51.015624	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-3H"	-3.021828
"12282"	155.061424	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M-2H"	-2.014552
"452932"	233.095774	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M-2H"	-2.014552
"823079"	77.027074	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-2H"	-2.014552
"86353"	311.130124	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M-H"	-1.007276
"527006"	467.198824	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M-H"	-1.007276
"908090"	155.061424	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-H"	-1.007276
"60888"	328.156671	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M-2H+NH4"	16.019271
"495465"	484.225371	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M-2H+NH4"	16.019271
"876547"	172.087971	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-2H+NH4"	16.019271
"40076"	333.112066	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M-2H+Na"	20.974666
"480728"	489.180766	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M-2H+Na"	20.974666
"851970"	177.043366	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-2H+Na"	20.974666
"1622595"	177.043366	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Na-2H"	20.974666
"96938"	173.049763	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M-H+Cl"	33.962126
"540875"	251.084113	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M-H+Cl"	33.962126
"936579"	95.015413	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-H+Cl"	33.962126
"279512"	347.106802	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+Cl"	34.969402
"674002"	503.175502	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+Cl"	34.969402
"1286405"	191.038102	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Cl"	34.969402
"27989"	349.086006	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M-2H+K"	36.948606
"466457"	505.154706	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M-2H+K"	36.948606
"839884"	193.017306	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-2H+K"	36.948606
"1567019"	193.017306	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+K-2H"	36.948606
"956726"	201.066894	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-H+HCOOH"	44.998194
"370564"	357.135601	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+HCOOH-H"	44.998201
"355540"	371.151251	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+Hac-H"	59.013851
"1503279"	215.082551	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Hac-H"	59.013851
"964260"	223.048851	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-H+NaCOOH"	66.980151
"123739"	191.038102	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+2Cl"	69.938804
"560384"	269.072452	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+2Cl"	69.938804
"1032465"	113.003752	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2Cl"	69.938804
"1256054"	234.987585	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Br"	78.918885
"1314496"	237.043572	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Cl+HCOOH"	80.974872
"1331991"	259.025529	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Cl+NaCOOH"	102.956829
"924147"	269.054286	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M-H+CF3COOH"	112.985586
"1302678"	305.030964	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Cl+CF3COOH"	148.962264
"1381445"	121.056024	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H-2H2O"	-35.012676
"1391041"	139.066	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H-H2O"	-17.0027
"286717"	313.144676	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+H"	1.007276
"679503"	469.213376	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+H"	1.007276
"1351839"	157.075976	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H"	1.007276
"129468"	157.075976	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+2H"	2.014552
"566843"	235.110326	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+2H"	2.014552
"1040017"	79.041626	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2H"	2.014552
"207553"	105.053076	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+3H"	3.021828
"658056"	157.075976	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+3H"	3.021828
"1178010"	53.030176	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+3H"	3.021828
"432899"	330.171223	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+NH4"	18.033823
"796081"	486.239923	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+NH4"	18.033823
"1686944"	174.102523	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+NH4"	18.033823
"339597"	165.5892495	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+H+NH4"	19.041099
"730925"	243.6235995	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+H+NH4"	19.041099
"1492161"	87.5548995	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H+NH4"	19.041099
"407075"	335.126618	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+Na"	22.989218
"767707"	491.195318	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+Na"	22.989218
"1614712"	179.057918	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Na"	22.989218
"326935"	168.066947	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+H+Na"	23.996494
"720447"	246.101297	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+H+Na"	23.996494
"1470986"	90.032597	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H+Na"	23.996494
"1060952"	60.35749	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2H+Na"	25.00377
"1263722"	189.102186	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+CH3OH+H"	33.033486
"389586"	351.100558	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+K"	38.963158
"746572"	507.169258	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+K"	38.963158
"1553002"	195.031858	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+K"	38.963158
"306899"	176.053917	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+H+K"	39.970434
"699322"	254.088267	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+H+K"	39.970434
"1456423"	98.019567	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H+K"	39.970434
"249765"	354.171226	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+ACN+H"	42.033826
"1224175"	198.102526	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+ACN+H"	42.033826
"1209039"	99.554901	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+ACN+2H"	43.041102
"203489"	357.10856	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+2Na-H"	44.97116
"642441"	513.17726	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+2Na-H"	44.97116
"1145215"	201.03986	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2Na-H"	44.97116
"186319"	179.057918	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+2Na"	45.978436
"626242"	257.092268	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+2Na"	45.978436
"1127197"	101.023568	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2Na"	45.978436
"1408899"	67.684804	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H+2Na"	46.985712
"1440286"	203.081446	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H+HCOOH"	47.012746
"235087"	184.09094	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+3H2O+2H"	56.04448
"1519135"	217.13349	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+IsoProp+H"	61.06479
"419918"	187.044888	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+Na+K"	61.952376
"777995"	265.079238	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+Na+K"	61.952376
"1675422"	109.010538	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Na+K"	61.952376
"254649"	376.153168	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+ACN+Na"	64.015768
"1232092"	220.084468	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+ACN+Na"	64.015768
"1717336"	220.107993	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+NH4+HCOOH"	64.039293
"1183421"	75.012118	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+3Na"	68.967654
"1654407"	225.063388	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Na+HCOOH"	68.994688
"162365"	389.05644	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+2K-H"	76.91904
"611528"	545.12514	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+2K-H"	76.91904
"1099909"	232.98774	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2K-H"	76.91904
"156918"	195.031858	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"2M+2K"	77.926316
"596309"	273.066208	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"3M+2K"	77.926316
"1082644"	116.997508	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2K"	77.926316
"1115129"	235.002292	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2K+H"	78.933592
"1349689"	235.089907	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+DMSO+H"	79.021207
"1020854"	239.129076	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2ACN+H"	83.060376
"1534522"	240.122708	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+IsoProp+Na+H"	84.054008
"999875"	120.068176	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+2ACN+2H"	84.067652
"1594377"	241.037328	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+K+HCOOH"	84.968628
"1429273"	271.068838	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+H+CF3COOH"	115.000138
"1162234"	140.581451	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+3ACN+2H"	125.094202
"1707532"	288.095385	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+NH4+CF3COOH"	132.026685
"1647556"	293.05078	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+Na+CF3COOH"	136.98208
"1577740"	309.02472	"C02938"	"3-Indoleacetonitrile;Indol-3-ylacetonitrile;Indole-3-acetonitrile;(Indol-3-yl)acetonitrile"	"C10H8N2"	"156.0687"	"M+K+CF3COOH"	152.95602
"807016"	851.1727	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M"	0
"987119"	832.15431	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H2O-H"	-19.01839
"75356"	566.441190666667	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-3H"	-3.021828
"516014"	850.165424	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-3H"	-3.021828
"891997"	282.716957333333	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-3H"	-3.021828
"12393"	850.165424	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H"	-2.014552
"451950"	1275.751774	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H"	-2.014552
"830480"	424.579074	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H"	-2.014552
"91930"	1701.338124	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-H"	-1.007276
"532584"	2552.510824	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-H"	-1.007276
"909295"	850.165424	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H"	-1.007276
"60390"	1718.364671	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+NH4"	16.019271
"500317"	2569.537371	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+NH4"	16.019271
"875567"	867.191971	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+NH4"	16.019271
"44439"	1723.320066	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+Na"	20.974666
"484117"	2574.492766	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+Na"	20.974666
"851351"	872.147366	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+Na"	20.974666
"1624899"	872.147366	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na-2H"	20.974666
"99239"	868.153763	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-H+Cl"	33.962126
"544269"	1293.740113	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-H+Cl"	33.962126
"937786"	442.567413	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+Cl"	33.962126
"280598"	1737.314802	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Cl"	34.969402
"670952"	2588.487502	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Cl"	34.969402
"1281169"	886.142102	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl"	34.969402
"20443"	1739.294006	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+K"	36.948606
"465470"	2590.466706	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+K"	36.948606
"845095"	888.121306	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+K"	36.948606
"1563482"	888.121306	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K-2H"	36.948606
"951365"	896.170894	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+HCOOH"	44.998194
"368487"	1747.343601	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+HCOOH-H"	44.998201
"356743"	1761.359251	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Hac-H"	59.013851
"1503388"	910.186551	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Hac-H"	59.013851
"968742"	918.152851	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+NaCOOH"	66.980151
"118744"	886.142102	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Cl"	69.938804
"562683"	1311.728452	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Cl"	69.938804
"1031482"	460.555752	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Cl"	69.938804
"1253249"	930.091585	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Br"	78.918885
"1315701"	932.147572	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+HCOOH"	80.974872
"1331375"	954.129529	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+NaCOOH"	102.956829
"924988"	964.158286	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+CF3COOH"	112.985586
"1299874"	1000.134964	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+CF3COOH"	148.962264
"1379490"	816.160024	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H-2H2O"	-35.012676
"1391151"	834.17	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H-H2O"	-17.0027
"288650"	1703.352676	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H"	1.007276
"679978"	2554.525376	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H"	1.007276
"1356326"	852.179976	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H"	1.007276
"133589"	852.179976	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2H"	2.014552
"573149"	1277.766326	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2H"	2.014552
"1044137"	426.593626	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2H"	2.014552
"208757"	568.455742666667	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+3H"	3.021828
"659745"	852.179976	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+3H"	3.021828
"1177919"	284.731509333333	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3H"	3.021828
"433009"	1720.379223	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+NH4"	18.033823
"794004"	2571.551923	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+NH4"	18.033823
"1685961"	869.206523	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4"	18.033823
"337520"	860.6932495	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+NH4"	19.041099
"733221"	1286.2795995	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+NH4"	19.041099
"1487044"	435.1068995	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+NH4"	19.041099
"406333"	1725.334618	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Na"	22.989218
"767452"	2576.507318	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Na"	22.989218
"1615548"	874.161918	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na"	22.989218
"325585"	863.170947	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+Na"	23.996494
"715817"	1288.757297	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+Na"	23.996494
"1471092"	437.584597	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+Na"	23.996494
"1058875"	292.058823333333	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2H+Na"	25.00377
"1264924"	884.206186	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+CH3OH+H"	33.033486
"386779"	1741.308558	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+K"	38.963158
"747773"	2592.481258	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+K"	38.963158
"1548732"	890.135858	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K"	38.963158
"307009"	871.157917	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+K"	39.970434
"702712"	1296.744267	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+K"	39.970434
"1460178"	445.571567	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+K"	39.970434
"250118"	1744.379226	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+H"	42.033826
"1224652"	893.206526	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+H"	42.033826
"1209630"	447.106901	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+2H"	43.041102
"201900"	1747.31656	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na-H"	44.97116
"642190"	2598.48926	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na-H"	44.97116
"1145328"	896.14386	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Na-H"	44.97116
"186065"	874.161918	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na"	45.978436
"627328"	1299.748268	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na"	45.978436
"1129860"	448.575568	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Na"	45.978436
"1411925"	299.386137333333	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+2Na"	46.985712
"1443677"	898.185446	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+HCOOH"	47.012746
"233371"	879.19494	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+3H2O+2H"	56.04448
"1522890"	912.23749	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+H"	61.06479
"421485"	882.148888	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Na+K"	61.952376
"779564"	1307.735238	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Na+K"	61.952376
"1677355"	456.562538	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+K"	61.952376
"257675"	1766.361168	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+Na"	64.015768
"1235850"	915.188468	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+Na"	64.015768
"1723643"	915.211993	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+HCOOH"	64.039293
"1187540"	306.713451333333	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3Na"	68.967654
"1655610"	920.167388	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+HCOOH"	68.994688
"162473"	1779.26444	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2K-H"	76.91904
"603125"	2630.43714	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2K-H"	76.91904
"1090923"	928.09174	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K-H"	76.91904
"157017"	890.135858	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2K"	77.926316
"593744"	1315.722208	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2K"	77.926316
"1084062"	464.549508	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K"	77.926316
"1115119"	930.106292	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K+H"	78.933592
"1350901"	930.193907	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+DMSO+H"	79.021207
"1020924"	934.233076	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+H"	83.060376
"1539252"	935.226708	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+Na+H"	84.054008
"1001078"	467.620176	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+2H"	84.067652
"1594487"	936.141328	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K+HCOOH"	84.968628
"1429383"	966.172838	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+CF3COOH"	115.000138
"1162344"	488.133451	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3ACN+2H"	125.094202
"1707642"	983.199385	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+CF3COOH"	132.026685
"1647666"	988.15478	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+CF3COOH"	136.98208
"1577850"	1004.12872	"C02939"	"3-Methylbutanoyl-CoA;Isovaleryl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K+CF3COOH"	152.95602
"807126"	274.2297	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M"	0
"986130"	255.21131	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-H2O-H"	-19.01839
"74373"	181.812524	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M-3H"	-3.021828
"516124"	273.222424	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M-3H"	-3.021828
"894294"	90.402624	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-3H"	-3.021828
"13962"	273.222424	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M-2H"	-2.014552
"452060"	410.337274	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M-2H"	-2.014552
"826580"	136.107574	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-2H"	-2.014552
"90947"	547.452124	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M-H"	-1.007276
"530508"	821.681824	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M-H"	-1.007276
"908312"	273.222424	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-H"	-1.007276
"60501"	564.478671	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M-2H+NH4"	16.019271
"501763"	838.708371	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M-2H+NH4"	16.019271
"877864"	290.248971	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-2H+NH4"	16.019271
"43577"	569.434066	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M-2H+Na"	20.974666
"480947"	843.663766	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M-2H+Na"	20.974666
"855472"	295.204366	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-2H+Na"	20.974666
"1625009"	295.204366	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Na-2H"	20.974666
"98256"	291.210763	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M-H+Cl"	33.962126
"545475"	428.325613	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M-H+Cl"	33.962126
"937896"	154.095913	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-H+Cl"	33.962126
"280463"	583.428802	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+Cl"	34.969402
"671063"	857.658502	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+Cl"	34.969402
"1281279"	309.199102	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Cl"	34.969402
"19461"	585.408006	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M-2H+K"	36.948606
"459020"	859.637706	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M-2H+K"	36.948606
"840102"	311.178306	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-2H+K"	36.948606
"1563592"	311.178306	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+K-2H"	36.948606
"944184"	319.227894	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-H+HCOOH"	44.998194
"367503"	593.457601	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+HCOOH-H"	44.998201
"350292"	607.473251	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+Hac-H"	59.013851
"1502404"	333.243551	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Hac-H"	59.013851
"967758"	341.209851	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-H+NaCOOH"	66.980151
"115574"	309.199102	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+2Cl"	69.938804
"561699"	446.313952	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+2Cl"	69.938804
"1032685"	172.084252	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2Cl"	69.938804
"1252631"	353.148585	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Br"	78.918885
"1315446"	355.204572	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Cl+HCOOH"	80.974872
"1331120"	377.186529	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Cl+NaCOOH"	102.956829
"921816"	387.215286	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M-H+CF3COOH"	112.985586
"1297796"	423.191964	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Cl+CF3COOH"	148.962264
"1378507"	239.217024	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H-2H2O"	-35.012676
"1391261"	257.227	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H-H2O"	-17.0027
"288760"	549.466676	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+H"	1.007276
"683368"	823.696376	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+H"	1.007276
"1356436"	275.236976	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H"	1.007276
"129325"	275.236976	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+2H"	2.014552
"572166"	412.351826	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+2H"	2.014552
"1044247"	138.122126	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2H"	2.014552
"209960"	183.827076	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+3H"	3.021828
"658640"	275.236976	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+3H"	3.021828
"1177137"	92.417176	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+3H"	3.021828
"433119"	566.493223	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+NH4"	18.033823
"796301"	840.722923	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+NH4"	18.033823
"1691539"	292.263523	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+NH4"	18.033823
"343098"	283.7502495	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+H+NH4"	19.041099
"733331"	420.8650995	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+H+NH4"	19.041099
"1486061"	146.6353995	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H+NH4"	19.041099
"402554"	571.448618	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+Na"	22.989218
"766833"	845.678318	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+Na"	22.989218
"1614930"	297.218918	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Na"	22.989218
"324966"	286.227947	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+H+Na"	23.996494
"714104"	423.342797	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+H+Na"	23.996494
"1469017"	149.113097	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H+Na"	23.996494
"1056798"	99.74449	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2H+Na"	25.00377
"1262847"	307.263186	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+CH3OH+H"	33.033486
"386889"	587.422558	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+K"	38.963158
"748977"	861.652258	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+K"	38.963158
"1548113"	313.192858	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+K"	38.963158
"303839"	294.214917	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+H+K"	39.970434
"702822"	431.329767	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+H+K"	39.970434
"1451175"	157.100067	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H+K"	39.970434
"250957"	590.493226	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+ACN+H"	42.033826
"1224521"	316.263526	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+ACN+H"	42.033826
"1209539"	158.635401	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+ACN+2H"	43.041102
"203975"	593.43056	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+2Na-H"	44.97116
"643918"	867.66026	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+2Na-H"	44.97116
"1145438"	319.20086	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2Na-H"	44.97116
"186175"	297.218918	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+2Na"	45.978436
"626096"	434.333768	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+2Na"	45.978436
"1128142"	160.104068	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2Na"	45.978436
"1412034"	107.071804	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H+2Na"	46.985712
"1444153"	321.242446	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H+HCOOH"	47.012746
"232387"	302.25194	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+3H2O+2H"	56.04448
"1521179"	335.29449	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+IsoProp+H"	61.06479
"421233"	305.205888	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+Na+K"	61.952376
"781493"	442.320738	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+Na+K"	61.952376
"1675640"	168.091038	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Na+K"	61.952376
"257785"	612.475168	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+ACN+Na"	64.015768
"1234866"	338.245468	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+ACN+Na"	64.015768
"1721565"	338.268993	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+NH4+HCOOH"	64.039293
"1186922"	114.399118	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+3Na"	68.967654
"1655721"	343.224388	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Na+HCOOH"	68.994688
"160396"	625.37844	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+2K-H"	76.91904
"599956"	899.60814	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+2K-H"	76.91904
"1091033"	351.14874	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2K-H"	76.91904
"156974"	313.192858	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"2M+2K"	77.926316
"593975"	450.307708	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"3M+2K"	77.926316
"1083966"	176.078008	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2K"	77.926316
"1115433"	353.163292	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2K+H"	78.933592
"1351011"	353.250907	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+DMSO+H"	79.021207
"1020263"	357.290076	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2ACN+H"	83.060376
"1539606"	358.283708	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+IsoProp+Na+H"	84.054008
"1000095"	179.148676	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+2ACN+2H"	84.067652
"1594597"	359.198328	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+K+HCOOH"	84.968628
"1429493"	389.229838	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+H+CF3COOH"	115.000138
"1162211"	199.661951	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+3ACN+2H"	125.094202
"1707752"	406.256385	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+NH4+CF3COOH"	132.026685
"1647776"	411.21178	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+Na+CF3COOH"	136.98208
"1577960"	427.18572	"C02940"	"3-Oxo-5alpha-steroid"	"C19H30O"	"274.2297"	"M+K+CF3COOH"	152.95602
"807236"	272.214	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M"	0
"984051"	253.19561	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-H2O-H"	-19.01839
"77762"	180.468724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M-3H"	-3.021828
"517329"	271.206724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M-3H"	-3.021828
"893311"	89.730724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-3H"	-3.021828
"12614"	271.206724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M-2H"	-2.014552
"453264"	407.313724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M-2H"	-2.014552
"826691"	135.099724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-2H"	-2.014552
"89964"	543.420724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M-H"	-1.007276
"531347"	815.634724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M-H"	-1.007276
"908422"	271.206724	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-H"	-1.007276
"60611"	560.447271	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M-2H+NH4"	16.019271
"499077"	832.661271	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M-2H+NH4"	16.019271
"876880"	288.233271	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-2H+NH4"	16.019271
"42594"	565.402666	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M-2H+Na"	20.974666
"483245"	837.616666	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M-2H+Na"	20.974666
"854491"	293.188666	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-2H+Na"	20.974666
"1627305"	293.188666	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Na-2H"	20.974666
"101648"	289.195063	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M-H+Cl"	33.962126
"546678"	425.302063	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M-H+Cl"	33.962126
"939097"	153.088063	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-H+Cl"	33.962126
"279845"	579.397402	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+Cl"	34.969402
"670080"	851.611402	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+Cl"	34.969402
"1282484"	307.183402	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Cl"	34.969402
"17384"	581.376606	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M-2H+K"	36.948606
"459130"	853.590606	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M-2H+K"	36.948606
"840213"	309.162606	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-2H+K"	36.948606
"1562610"	309.162606	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+K-2H"	36.948606
"948304"	317.212194	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-H+HCOOH"	44.998194
"365426"	589.426201	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+HCOOH-H"	44.998201
"350401"	603.441851	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+Hac-H"	59.013851
"1501420"	331.227851	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Hac-H"	59.013851
"963495"	339.194151	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-H+NaCOOH"	66.980151
"112401"	307.183402	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+2Cl"	69.938804
"551231"	443.290402	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+2Cl"	69.938804
"1033888"	171.076402	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2Cl"	69.938804
"1251280"	351.132885	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Br"	78.918885
"1315558"	353.188872	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Cl+HCOOH"	80.974872
"1331229"	375.170829	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Cl+NaCOOH"	102.956829
"922291"	385.199586	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M-H+CF3COOH"	112.985586
"1301188"	421.176264	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Cl+CF3COOH"	148.962264
"1379710"	237.201324	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H-2H2O"	-35.012676
"1393194"	255.2113	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H-H2O"	-17.0027
"288870"	545.435276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+H"	1.007276
"683478"	817.649276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+H"	1.007276
"1356546"	273.221276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H"	1.007276
"130528"	273.221276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+2H"	2.014552
"570089"	409.328276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+2H"	2.014552
"1043264"	137.114276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2H"	2.014552
"206790"	182.483276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+3H"	3.021828
"655104"	273.221276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+3H"	3.021828
"1176152"	91.745276	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+3H"	3.021828
"436874"	562.461823	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+NH4"	18.033823
"799327"	834.675823	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+NH4"	18.033823
"1688367"	290.247823	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+NH4"	18.033823
"341747"	281.7345495	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+H+NH4"	19.041099
"735262"	417.8415495	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+H+NH4"	19.041099
"1487260"	145.6275495	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H+NH4"	19.041099
"404851"	567.417218	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+Na"	22.989218
"765850"	839.631218	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+Na"	22.989218
"1616133"	295.203218	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Na"	22.989218
"325076"	284.212247	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+H+Na"	23.996494
"715307"	420.319247	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+H+Na"	23.996494
"1468036"	148.105247	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H+Na"	23.996494
"1059096"	99.07259	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2H+Na"	25.00377
"1266237"	305.247486	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+CH3OH+H"	33.033486
"389186"	583.391158	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+K"	38.963158
"747994"	855.605158	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+K"	38.963158
"1547860"	311.177158	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+K"	38.963158
"307229"	292.199217	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+H+K"	39.970434
"699652"	428.306217	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+H+K"	39.970434
"1453472"	156.092217	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H+K"	39.970434
"250096"	586.461826	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+ACN+H"	42.033826
"1224266"	314.247826	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+ACN+H"	42.033826
"1208632"	157.627551	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+ACN+2H"	43.041102
"203815"	589.39916	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+2Na-H"	44.97116
"643500"	861.61316	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+2Na-H"	44.97116
"1145909"	317.18516	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2Na-H"	44.97116
"186650"	295.203218	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+2Na"	45.978436
"625479"	431.310218	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+2Na"	45.978436
"1128619"	159.096218	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2Na"	45.978436
"1411781"	106.399904	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H+2Na"	46.985712
"1442805"	319.226746	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H+HCOOH"	47.012746
"231405"	300.23624	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+3H2O+2H"	56.04448
"1520193"	333.27879	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+IsoProp+H"	61.06479
"420247"	303.190188	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+Na+K"	61.952376
"781971"	439.297188	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+Na+K"	61.952376
"1677210"	167.083188	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Na+K"	61.952376
"260082"	608.443768	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+ACN+Na"	64.015768
"1235706"	336.229768	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+ACN+Na"	64.015768
"1722771"	336.253293	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+NH4+HCOOH"	64.039293
"1187032"	113.727218	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+3Na"	68.967654
"1658019"	341.208688	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Na+HCOOH"	68.994688
"163786"	621.34704	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+2K-H"	76.91904
"600430"	893.56104	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+2K-H"	76.91904
"1091143"	349.13304	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2K-H"	76.91904
"157076"	311.177158	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"2M+2K"	77.926316
"597065"	447.284158	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"3M+2K"	77.926316
"1084120"	175.070158	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2K"	77.926316
"1115219"	351.147592	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2K+H"	78.933592
"1351225"	351.235207	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+DMSO+H"	79.021207
"1020987"	355.274376	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2ACN+H"	83.060376
"1538742"	356.268008	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+IsoProp+Na+H"	84.054008
"1005309"	178.140826	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+2ACN+2H"	84.067652
"1602120"	357.182628	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+K+HCOOH"	84.968628
"1429799"	387.214138	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+H+CF3COOH"	115.000138
"1162083"	198.654101	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+3ACN+2H"	125.094202
"1710049"	404.240685	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+NH4+CF3COOH"	132.026685
"1647886"	409.19608	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+Na+CF3COOH"	136.98208
"1580256"	425.17002	"C02941"	"3-Oxo-delta1-steroid"	"C19H28O"	"272.214"	"M+K+CF3COOH"	152.95602
"807346"	346.2144	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M"	0
"984161"	327.19601	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"72404"	229.802324	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"513057"	345.207124	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"894880"	114.397524	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"14184"	345.207124	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"452282"	518.314324	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"829717"	172.099924	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"91897"	691.421524	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"529634"	1037.635924	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"907439"	345.207124	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"59631"	708.448071	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"498094"	1054.662471	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"876990"	362.233671	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"43798"	713.403466	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"483355"	1059.617866	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"852414"	367.189066	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1626324"	367.189066	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"102851"	363.195463	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"548611"	536.302663	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"937021"	190.088263	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"281776"	727.398202	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"673836"	1073.612602	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1283688"	381.183802	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"21870"	729.377406	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"465802"	1075.591806	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"845791"	383.163006	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1566000"	383.163006	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"951695"	391.212594	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"365536"	737.427001	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"350511"	751.442651	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1500437"	405.228251	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"964698"	413.194551	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"114697"	381.183802	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"550612"	554.291002	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1033998"	208.076602	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1251390"	425.133285	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1318215"	427.189272	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1334255"	449.171229	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"923494"	459.199986	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1301663"	495.176664	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1380915"	311.201724	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1393668"	329.2117	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"287886"	693.436076	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"681401"	1039.650476	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1356656"	347.221676	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"130638"	347.221676	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"570199"	520.328876	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1045560"	174.114476	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"207628"	231.816876	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"655214"	347.221676	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1176020"	116.412076	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"436985"	710.462623	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"798709"	1056.677023	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1688477"	364.248223	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"341130"	355.7349495	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"733552"	528.8421495	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1485186"	182.6277495	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"404961"	715.418018	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"766688"	1061.632418	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1611868"	369.203618	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"323728"	358.212647	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"710682"	531.319847	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1469238"	185.105447	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1058110"	123.73939	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1261976"	379.247886	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"386017"	731.391958	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"744825"	1077.606358	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1543598"	385.177558	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"306611"	366.199617	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"702678"	539.306817	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1453582"	193.092417	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"249719"	734.462626	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1224379"	388.248226	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1208498"	194.627751	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"203964"	737.39996	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"642145"	1083.61436	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1145532"	391.18556	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"186390"	369.203618	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"624490"	542.310818	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1128000"	196.096418	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1408974"	131.066704	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1439997"	393.227146	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"229691"	374.23664	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1518844"	407.27919	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"417439"	377.190588	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"779527"	550.297788	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1677320"	204.083388	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"260192"	756.444568	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1230713"	410.230168	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1717777"	410.253693	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1188236"	138.394018	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1659223"	415.209088	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"164990"	769.34784	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"601268"	1115.56224	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1091253"	423.13344	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"156873"	385.177558	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"597027"	558.284758	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1078708"	212.070358	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1115413"	425.147992	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1351022"	425.235607	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1021092"	429.274776	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1539501"	430.268408	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"1005460"	215.141026	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1601379"	431.183028	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1429475"	461.214538	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1162435"	235.654301	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1710159"	478.241085	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1642529"	483.19648	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1580366"	499.17042	"C02942"	"3-Oxo-hydroxysteroid"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"807456"	468.324	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M"	0
"984271"	449.30561	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-H2O-H"	-19.01839
"72514"	311.208724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M-3H"	-3.021828
"513167"	467.316724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M-3H"	-3.021828
"892797"	155.100724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-3H"	-3.021828
"13924"	467.316724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M-2H"	-2.014552
"451299"	701.478724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M-2H"	-2.014552
"828005"	233.154724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-2H"	-2.014552
"91278"	935.640724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M-H"	-1.007276
"528650"	1403.964724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M-H"	-1.007276
"907185"	467.316724	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-H"	-1.007276
"57552"	952.667271	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M-2H+NH4"	16.019271
"499297"	1420.991271	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M-2H+NH4"	16.019271
"873821"	484.343271	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-2H+NH4"	16.019271
"37347"	957.622666	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M-2H+Na"	20.974666
"481278"	1425.946666	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M-2H+Na"	20.974666
"850338"	489.298666	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-2H+Na"	20.974666
"1626433"	489.298666	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Na-2H"	20.974666
"102961"	485.305063	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M-H+Cl"	33.962126
"544711"	719.467063	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M-H+Cl"	33.962126
"937130"	251.143063	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-H+Cl"	33.962126
"278609"	971.617402	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+Cl"	34.969402
"667024"	1439.941402	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+Cl"	34.969402
"1280519"	503.293402	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Cl"	34.969402
"24167"	973.596606	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M-2H+K"	36.948606
"465912"	1441.920606	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M-2H+K"	36.948606
"843714"	505.272606	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-2H+K"	36.948606
"1566110"	505.272606	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+K-2H"	36.948606
"951805"	513.322194	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-H+HCOOH"	44.998194
"365646"	981.646201	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+HCOOH-H"	44.998201
"350985"	995.661851	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+Hac-H"	59.013851
"1500547"	527.337851	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Hac-H"	59.013851
"962985"	535.304151	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-H+NaCOOH"	66.980151
"111892"	503.293402	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+2Cl"	69.938804
"551815"	737.455402	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+2Cl"	69.938804
"1033015"	269.131402	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2Cl"	69.938804
"1251500"	547.242885	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Br"	78.918885
"1318325"	549.298872	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Cl+HCOOH"	80.974872
"1333879"	571.280829	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Cl+NaCOOH"	102.956829
"924332"	581.309586	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M-H+CF3COOH"	112.985586
"1301041"	617.286264	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Cl+CF3COOH"	148.962264
"1381022"	433.311324	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H-2H2O"	-35.012676
"1393778"	451.3213	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H-H2O"	-17.0027
"286903"	937.655276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+H"	1.007276
"681511"	1405.979276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+H"	1.007276
"1356766"	469.331276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H"	1.007276
"129655"	469.331276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+2H"	2.014552
"570309"	703.493276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+2H"	2.014552
"1042390"	235.169276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2H"	2.014552
"207131"	313.223276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+3H"	3.021828
"655324"	469.331276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+3H"	3.021828
"1176130"	157.115276	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+3H"	3.021828
"437340"	954.681823	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+NH4"	18.033823
"798456"	1423.005823	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+NH4"	18.033823
"1690410"	486.357823	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+NH4"	18.033823
"341604"	477.8445495	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+H+NH4"	19.041099
"733662"	712.0065495	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+H+NH4"	19.041099
"1486386"	243.6825495	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H+NH4"	19.041099
"401789"	959.637218	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+Na"	22.989218
"764976"	1427.961218	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+Na"	22.989218
"1615627"	491.313218	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Na"	22.989218
"322016"	480.322247	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+H+Na"	23.996494
"710428"	714.484247	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+H+Na"	23.996494
"1468254"	246.160247	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H+Na"	23.996494
"1058222"	164.44259	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2H+Na"	25.00377
"1263181"	501.357486	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+CH3OH+H"	33.033486
"386127"	975.611158	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+K"	38.963158
"744934"	1443.935158	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+K"	38.963158
"1543708"	507.287158	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+K"	38.963158
"303075"	488.309217	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+H+K"	39.970434
"699508"	722.471217	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+H+K"	39.970434
"1452598"	254.147217	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H+K"	39.970434
"247764"	978.681826	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+ACN+H"	42.033826
"1224119"	510.357826	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+ACN+H"	42.033826
"1207638"	255.682551	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+ACN+2H"	43.041102
"202934"	981.61916	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+2Na-H"	44.97116
"643104"	1449.94316	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+2Na-H"	44.97116
"1143567"	513.29516	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2Na-H"	44.97116
"180297"	491.313218	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+2Na"	45.978436
"620951"	725.475218	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+2Na"	45.978436
"1123364"	257.151218	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2Na"	45.978436
"1409080"	171.769904	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H+2Na"	46.985712
"1437915"	515.336746	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H+HCOOH"	47.012746
"232350"	496.34624	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+3H2O+2H"	56.04448
"1520775"	529.38879	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+IsoProp+H"	61.06479
"419733"	499.300188	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+Na+K"	61.952376
"775262"	733.462188	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+Na+K"	61.952376
"1678158"	265.138188	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Na+K"	61.952376
"253741"	1000.663768	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+ACN+Na"	64.015768
"1228634"	532.339768	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+ACN+Na"	64.015768
"1715698"	532.363293	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+NH4+HCOOH"	64.039293
"1180688"	179.097218	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+3Na"	68.967654
"1650576"	537.318688	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Na+HCOOH"	68.994688
"159631"	1013.56704	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+2K-H"	76.91904
"597530"	1481.89104	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+2K-H"	76.91904
"1091363"	545.24304	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2K-H"	76.91904
"145993"	507.287158	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"2M+2K"	77.926316
"596253"	741.449158	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"3M+2K"	77.926316
"1078817"	273.125158	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2K"	77.926316
"1113851"	547.257592	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2K+H"	78.933592
"1351254"	547.345207	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+DMSO+H"	79.021207
"1016944"	551.384376	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2ACN+H"	83.060376
"1532881"	552.378008	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+IsoProp+Na+H"	84.054008
"998235"	276.195826	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+2ACN+2H"	84.067652
"1592740"	553.292628	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+K+HCOOH"	84.968628
"1423866"	583.324138	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+H+CF3COOH"	115.000138
"1150875"	296.709101	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+3ACN+2H"	125.094202
"1701520"	600.350685	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+NH4+CF3COOH"	132.026685
"1637172"	605.30608	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+Na+CF3COOH"	136.98208
"1573916"	621.28002	"C02943"	"3-Oxoglycyrrhetinate"	"C30H44O4"	"468.324"	"M+K+CF3COOH"	152.95602
"807566"	947.2666	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M"	0
"984381"	928.24821	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H2O-H"	-19.01839
"72624"	630.503790666667	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-3H"	-3.021828
"513277"	946.259324	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-3H"	-3.021828
"894244"	314.748257333333	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-3H"	-3.021828
"15127"	946.259324	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H"	-2.014552
"453595"	1419.892624	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H"	-2.014552
"828115"	472.626024	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H"	-2.014552
"90295"	1893.525924	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-H"	-1.007276
"527666"	2840.792524	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-H"	-1.007276
"908024"	946.259324	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H"	-1.007276
"56569"	1910.552471	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H+NH4"	16.019271
"497221"	2857.819071	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H+NH4"	16.019271
"873931"	963.285871	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H+NH4"	16.019271
"37457"	1915.507866	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H+Na"	20.974666
"479201"	2862.774466	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H+Na"	20.974666
"851541"	968.241266	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H+Na"	20.974666
"1626543"	968.241266	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na-2H"	20.974666
"98696"	964.247663	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-H+Cl"	33.962126
"543725"	1437.880963	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-H+Cl"	33.962126
"931772"	490.614363	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+Cl"	33.962126
"278719"	1929.502602	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Cl"	34.969402
"668592"	2876.769202	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+Cl"	34.969402
"1282451"	982.236002	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl"	34.969402
"25370"	1931.481806	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H+K"	36.948606
"466022"	2878.748406	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H+K"	36.948606
"846740"	984.215206	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H+K"	36.948606
"1567313"	984.215206	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K-2H"	36.948606
"951915"	992.264794	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+HCOOH"	44.998194
"366484"	1939.531401	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+HCOOH-H"	44.998201
"351460"	1953.547051	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Hac-H"	59.013851
"1500657"	1006.280451	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Hac-H"	59.013851
"963095"	1014.246751	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+NaCOOH"	66.980151
"112367"	982.236002	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2Cl"	69.938804
"551926"	1455.869302	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2Cl"	69.938804
"1022304"	508.602702	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2Cl"	69.938804
"1246140"	1026.185485	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Br"	78.918885
"1318072"	1028.241472	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl+HCOOH"	80.974872
"1334110"	1050.223429	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl+NaCOOH"	102.956829
"925537"	1060.252186	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+CF3COOH"	112.985586
"1302974"	1096.228864	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl+CF3COOH"	148.962264
"1382430"	912.253924	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H-2H2O"	-35.012676
"1393888"	930.2639	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H-H2O"	-17.0027
"289199"	1895.540476	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H"	1.007276
"683808"	2842.807076	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H"	1.007276
"1356876"	948.273876	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H"	1.007276
"133045"	948.273876	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2H"	2.014552
"570419"	1421.907176	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2H"	2.014552
"1044687"	474.640576	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2H"	2.014552
"207120"	632.518342666667	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+3H"	3.021828
"652884"	948.273876	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+3H"	3.021828
"1177212"	316.762809333333	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+3H"	3.021828
"437572"	1912.567023	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+NH4"	18.033823
"800021"	2859.833623	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+NH4"	18.033823
"1688698"	965.300423	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+NH4"	18.033823
"341349"	956.7871495	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H+NH4"	19.041099
"734501"	1430.4204495	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H+NH4"	19.041099
"1483217"	483.1538495	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+NH4"	19.041099
"404814"	1917.522418	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Na"	22.989218
"766179"	2864.789018	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+Na"	22.989218
"1616830"	970.255818	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na"	22.989218
"324313"	959.264847	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H+Na"	23.996494
"712724"	1432.898147	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H+Na"	23.996494
"1467637"	485.631547	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+Na"	23.996494
"1059425"	324.090123333333	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2H+Na"	25.00377
"1266567"	980.300086	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+CH3OH+H"	33.033486
"385142"	1933.496358	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+K"	38.963158
"751605"	2880.762958	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+K"	38.963158
"1547096"	986.229758	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K"	38.963158
"304278"	967.251817	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H+K"	39.970434
"699982"	1440.885117	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H+K"	39.970434
"1453801"	493.618517	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+K"	39.970434
"246778"	1936.567026	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+ACN+H"	42.033826
"1223500"	989.300426	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+ACN+H"	42.033826
"1208475"	495.153851	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+ACN+2H"	43.041102
"203290"	1939.50436	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2Na-H"	44.97116
"643091"	2886.77096	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2Na-H"	44.97116
"1141490"	992.23776	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2Na-H"	44.97116
"183687"	970.255818	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2Na"	45.978436
"618871"	1443.889118	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2Na"	45.978436
"1120916"	496.622518	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2Na"	45.978436
"1406999"	331.417437333333	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+2Na"	46.985712
"1443492"	994.279346	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+HCOOH"	47.012746
"229907"	975.28884	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+3H2O+2H"	56.04448
"1520155"	1008.33139	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+IsoProp+H"	61.06479
"421910"	978.242788	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Na+K"	61.952376
"777559"	1451.876088	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+Na+K"	61.952376
"1679361"	504.609488	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na+K"	61.952376
"256038"	1958.548968	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+ACN+Na"	64.015768
"1229838"	1011.282368	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+ACN+Na"	64.015768
"1716537"	1011.305893	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+NH4+HCOOH"	64.039293
"1180069"	338.744751333333	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+3Na"	68.967654
"1650122"	1016.261288	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na+HCOOH"	68.994688
"159012"	1971.45224	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2K-H"	76.91904
"597843"	2918.71884	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2K-H"	76.91904
"1089287"	1024.18564	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2K-H"	76.91904
"143552"	986.229758	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2K"	77.926316
"596849"	1459.863058	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2K"	77.926316
"1078927"	512.596458	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2K"	77.926316
"1114082"	1026.200192	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2K+H"	78.933592
"1350959"	1026.287807	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+DMSO+H"	79.021207
"1018148"	1030.326976	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2ACN+H"	83.060376
"1534084"	1031.320608	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+IsoProp+Na+H"	84.054008
"998345"	515.667126	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2ACN+2H"	84.067652
"1592849"	1032.235228	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K+HCOOH"	84.968628
"1416685"	1062.266738	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+CF3COOH"	115.000138
"1150985"	536.180401	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+3ACN+2H"	125.094202
"1701630"	1079.293285	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+NH4+CF3COOH"	132.026685
"1637282"	1084.24868	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na+CF3COOH"	136.98208
"1571716"	1100.22262	"C02944"	"3-cis-Dodecenoyl-CoA;3-cis-Dodecenoyl coenzyme A;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K+CF3COOH"	152.95602
"816424"	276.2453	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M"	0
"988504"	257.22691	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H2O-H"	-19.01839
"73827"	183.156257333333	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-3H"	-3.021828
"511200"	275.238024	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-3H"	-3.021828
"894354"	91.0744906666666	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-3H"	-3.021828
"14635"	275.238024	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H"	-2.014552
"453833"	413.360674	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H"	-2.014552
"828227"	137.115374	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H"	-2.014552
"90405"	551.483324	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-H"	-1.007276
"529965"	827.728624	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-H"	-1.007276
"907769"	275.238024	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H"	-1.007276
"58867"	568.509871	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+NH4"	16.019271
"497333"	844.755171	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+NH4"	16.019271
"875134"	292.264571	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+NH4"	16.019271
"37567"	573.465266	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+Na"	20.974666
"477125"	849.710566	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+Na"	20.974666
"852744"	297.219966	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+Na"	20.974666
"1626653"	297.219966	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na-2H"	20.974666
"98806"	293.226363	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-H+Cl"	33.962126
"547115"	431.349013	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-H+Cl"	33.962126
"934070"	155.103713	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+Cl"	33.962126
"280283"	587.460002	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Cl"	34.969402
"669066"	863.705302	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Cl"	34.969402
"1282561"	311.214702	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl"	34.969402
"27303"	589.439206	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+K"	36.948606
"469048"	865.684506	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+K"	36.948606
"847582"	313.193906	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+K"	36.948606
"1567423"	313.193906	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K-2H"	36.948606
"955305"	321.243494	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+HCOOH"	44.998194
"374613"	597.488801	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+HCOOH-H"	44.998201
"349383"	611.504451	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Hac-H"	59.013851
"1502954"	335.259151	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Hac-H"	59.013851
"965028"	343.225451	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+NaCOOH"	66.980151
"116123"	311.214702	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Cl"	69.938804
"552765"	449.337352	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Cl"	69.938804
"1024848"	173.092052	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Cl"	69.938804
"1249530"	355.164185	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Br"	78.918885
"1317452"	357.220172	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+HCOOH"	80.974872
"1334584"	379.202129	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+NaCOOH"	102.956829
"922729"	389.230886	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+CF3COOH"	112.985586
"1301622"	425.207564	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+CF3COOH"	148.962264
"1378689"	241.232624	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H-2H2O"	-35.012676
"1385251"	259.2426	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H-H2O"	-17.0027
"289309"	553.497876	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H"	1.007276
"683918"	829.743176	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H"	1.007276
"1356986"	277.252576	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H"	1.007276
"132063"	277.252576	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2H"	2.014552
"570529"	415.375226	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2H"	2.014552
"1040423"	139.129926	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2H"	2.014552
"206135"	185.170809333333	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+3H"	3.021828
"651171"	277.252576	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+3H"	3.021828
"1176593"	93.0890426666667	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3H"	3.021828
"436953"	570.524423	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+NH4"	18.033823
"799768"	846.769723	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+NH4"	18.033823
"1693912"	294.279123	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4"	18.033823
"343283"	285.7658495	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+NH4"	19.041099
"735707"	423.8884995	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+NH4"	19.041099
"1489889"	147.6431995	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+NH4"	19.041099
"405290"	575.479818	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Na"	22.989218
"769327"	851.725118	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Na"	22.989218
"1616212"	299.234518	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na"	22.989218
"328434"	288.243547	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+Na"	23.996494
"717937"	426.366197	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+Na"	23.996494
"1470664"	150.120897	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+Na"	23.996494
"1061722"	100.416356666667	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2H+Na"	25.00377
"1268864"	309.278786	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+CH3OH+H"	33.033486
"386348"	591.453758	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+K"	38.963158
"748437"	867.699058	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+K"	38.963158
"1546114"	315.208458	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K"	38.963158
"306575"	296.230517	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+K"	39.970434
"706657"	434.353167	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+K"	39.970434
"1459380"	158.107867	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+K"	39.970434
"249810"	594.524426	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+ACN+H"	42.033826
"1223974"	318.279126	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+H"	42.033826
"1208347"	159.643201	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+2H"	43.041102
"203160"	597.46176	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Na-H"	44.97116
"643326"	873.70706	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Na-H"	44.97116
"1142694"	321.21646	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Na-H"	44.97116
"183797"	299.234518	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Na"	45.978436
"621168"	437.357168	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Na"	45.978436
"1121757"	161.111868	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Na"	45.978436
"1408202"	107.743670666667	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+2Na"	46.985712
"1444454"	323.258046	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+HCOOH"	47.012746
"235120"	304.26754	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+3H2O+2H"	56.04448
"1520994"	337.31009	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+IsoProp+H"	61.06479
"423234"	307.221488	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Na+K"	61.952376
"783865"	445.344138	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Na+K"	61.952376
"1677284"	169.098838	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+K"	61.952376
"260521"	616.506368	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+ACN+Na"	64.015768
"1236510"	340.261068	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+Na"	64.015768
"1724302"	340.284593	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4+HCOOH"	64.039293
"1184188"	115.070984666667	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3Na"	68.967654
"1658455"	345.239988	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+HCOOH"	68.994688
"159850"	629.40964	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2K-H"	76.91904
"599410"	905.65494	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2K-H"	76.91904
"1087211"	353.16434	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K-H"	76.91904
"142934"	315.208458	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2K"	77.926316
"595255"	453.331108	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2K"	77.926316
"1077944"	177.085808	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K"	77.926316
"1113220"	355.178892	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K+H"	78.933592
"1350706"	355.266507	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+DMSO+H"	79.021207
"1017164"	359.305676	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2ACN+H"	83.060376
"1532008"	360.299308	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+IsoProp+Na+H"	84.054008
"996268"	180.156476	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2ACN+2H"	84.067652
"1589679"	361.213928	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K+HCOOH"	84.968628
"1415702"	391.245438	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+CF3COOH"	115.000138
"1148908"	200.669751	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3ACN+2H"	125.094202
"1701740"	408.271985	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4+CF3COOH"	132.026685
"1637392"	413.22738	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+CF3COOH"	136.98208
"1574136"	429.20132	"C02945"	"3beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K+CF3COOH"	152.95602
"807786"	145.0739	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M"	0
"989546"	126.05551	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-H2O-H"	-19.01839
"76127"	95.7086573333333	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M-3H"	-3.021828
"512406"	144.066624	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M-3H"	-3.021828
"895434"	47.3506906666667	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-3H"	-3.021828
"15103"	144.066624	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M-2H"	-2.014552
"454550"	216.603574	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M-2H"	-2.014552
"831257"	71.529674	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-2H"	-2.014552
"93312"	289.140524	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M-H"	-1.007276
"533235"	434.214424	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M-H"	-1.007276
"909339"	144.066624	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-H"	-1.007276
"60071"	306.167071	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M-2H+NH4"	16.019271
"498537"	451.240971	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M-2H+NH4"	16.019271
"874152"	161.093171	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-2H+NH4"	16.019271
"42051"	311.122466	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M-2H+Na"	20.974666
"483797"	456.196366	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M-2H+Na"	20.974666
"852854"	166.048566	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-2H+Na"	20.974666
"1626763"	166.048566	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Na-2H"	20.974666
"98916"	162.054963	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M-H+Cl"	33.962126
"547225"	234.591913	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M-H+Cl"	33.962126
"934180"	89.518013	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-H+Cl"	33.962126
"274925"	325.117202	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+Cl"	34.969402
"669907"	470.191102	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+Cl"	34.969402
"1281943"	180.043302	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Cl"	34.969402
"27415"	327.096406	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M-2H+K"	36.948606
"469159"	472.170306	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M-2H+K"	36.948606
"846962"	182.022506	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-2H+K"	36.948606
"1569359"	182.022506	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+K-2H"	36.948606
"955416"	190.072094	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-H+HCOOH"	44.998194
"375817"	335.146001	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+HCOOH-H"	44.998201
"357513"	349.161651	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+Hac-H"	59.013851
"1504158"	204.087751	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Hac-H"	59.013851
"973766"	212.054051	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-H+NaCOOH"	66.980151
"116233"	180.043302	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+2Cl"	69.938804
"552874"	252.580252	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+2Cl"	69.938804
"1028968"	107.506352	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2Cl"	69.938804
"1249640"	223.992785	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Br"	78.918885
"1317560"	226.048772	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Cl+HCOOH"	80.974872
"1335058"	248.030729	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Cl+NaCOOH"	102.956829
"924300"	258.059486	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M-H+CF3COOH"	112.985586
"1303722"	294.036164	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Cl+CF3COOH"	148.962264
"1381353"	110.061224	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H-2H2O"	-35.012676
"1395932"	128.0712	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H-H2O"	-17.0027
"291606"	291.155076	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+H"	1.007276
"684028"	436.228976	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+H"	1.007276
"1357096"	146.081176	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H"	1.007276
"132173"	146.081176	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+2H"	2.014552
"575013"	218.618126	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+2H"	2.014552
"1042720"	73.544226	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2H"	2.014552
"206366"	97.7232093333333	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+3H"	3.021828
"652374"	146.081176	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+3H"	3.021828
"1175604"	49.3652426666667	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+3H"	3.021828
"439124"	308.181623	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+NH4"	18.033823
"798780"	453.255523	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+NH4"	18.033823
"1693293"	163.107723	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+NH4"	18.033823
"343758"	154.5944495	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+H+NH4"	19.041099
"735818"	227.1313995	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+H+NH4"	19.041099
"1488907"	82.0574995	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H+NH4"	19.041099
"407588"	313.137018	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+Na"	22.989218
"768223"	458.210918	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+Na"	22.989218
"1614501"	168.063118	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Na"	22.989218
"327817"	157.072147	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+H+Na"	23.996494
"719140"	229.609097	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+H+Na"	23.996494
"1475028"	84.535197	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H+Na"	23.996494
"1065113"	56.6925566666667	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2H+Na"	25.00377
"1267882"	178.107386	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+CH3OH+H"	33.033486
"389737"	329.110958	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+K"	38.963158
"751829"	474.184858	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+K"	38.963158
"1550599"	184.037058	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+K"	38.963158
"306684"	165.059117	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+H+K"	39.970434
"706401"	237.596067	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+H+K"	39.970434
"1461309"	92.522167	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H+K"	39.970434
"251136"	332.181626	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+H"	42.033826
"1225058"	187.107726	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+ACN+H"	42.033826
"1209550"	94.057501	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+ACN+2H"	43.041102
"203388"	335.11896	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+2Na-H"	44.97116
"643313"	480.19286	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+2Na-H"	44.97116
"1145356"	190.04506	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2Na-H"	44.97116
"182814"	168.063118	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+2Na"	45.978436
"619092"	240.600068	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+2Na"	45.978436
"1122597"	95.526168	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2Na"	45.978436
"1403937"	64.0198706666667	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H+2Na"	46.985712
"1445174"	192.086646	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H+HCOOH"	47.012746
"235354"	173.09614	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+3H2O+2H"	56.04448
"1520375"	206.13869	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+H"	61.06479
"422978"	176.050088	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+Na+K"	61.952376
"785646"	248.587038	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+Na+K"	61.952376
"1679216"	103.513138	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Na+K"	61.952376
"262819"	354.163568	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+Na"	64.015768
"1239537"	209.089668	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+ACN+Na"	64.015768
"1724412"	209.113193	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+NH4+HCOOH"	64.039293
"1189401"	71.3471846666667	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+3Na"	68.967654
"1661847"	214.068588	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Na+HCOOH"	68.994688
"162147"	367.06684	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+2K-H"	76.91904
"598542"	512.14074	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+2K-H"	76.91904
"1090595"	221.99294	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2K-H"	76.91904
"146324"	184.037058	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"2M+2K"	77.926316
"593540"	256.574008	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"3M+2K"	77.926316
"1082427"	111.500108	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2K"	77.926316
"1114181"	224.007492	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2K+H"	78.933592
"1350695"	224.095107	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+DMSO+H"	79.021207
"1018367"	228.134276	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+H"	83.060376
"1534305"	229.127908	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+Na+H"	84.054008
"994191"	114.570776	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+2H"	84.067652
"1589789"	230.042528	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+K+HCOOH"	84.968628
"1415568"	260.074038	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+H+CF3COOH"	115.000138
"1148046"	135.084051	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+3ACN+2H"	125.094202
"1701850"	277.100585	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+NH4+CF3COOH"	132.026685
"1637502"	282.05598	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+Na+CF3COOH"	136.98208
"1574246"	298.02992	"C02946"	"4-Acetamidobutanoate;N4-Acetylaminobutanoate"	"C6H11NO3"	"145.0739"	"M+K+CF3COOH"	152.95602
"807896"	320.0896	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M"	0
"987630"	301.07121	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-H2O-H"	-19.01839
"75143"	212.385790666667	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M-3H"	-3.021828
"515796"	319.082324	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M-3H"	-3.021828
"894695"	105.689257333333	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-3H"	-3.021828
"11083"	319.082324	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M-2H"	-2.014552
"455558"	479.127124	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M-2H"	-2.014552
"831005"	159.037524	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-2H"	-2.014552
"93184"	639.171924	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M-H"	-1.007276
"534158"	959.261524	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M-H"	-1.007276
"910180"	319.082324	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-H"	-1.007276
"60911"	656.198471	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M-2H+NH4"	16.019271
"501443"	976.288071	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M-2H+NH4"	16.019271
"875354"	336.108871	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-2H+NH4"	16.019271
"46534"	661.153866	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M-2H+Na"	20.974666
"482814"	981.243466	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M-2H+Na"	20.974666
"856245"	341.064266	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-2H+Na"	20.974666
"1630153"	341.064266	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Na-2H"	20.974666
"96840"	337.070663	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M-H+Cl"	33.962126
"547335"	497.115463	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M-H+Cl"	33.962126
"937570"	177.025863	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-H+Cl"	33.962126
"280867"	675.148602	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+Cl"	34.969402
"670747"	995.238202	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+Cl"	34.969402
"1285699"	355.059002	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Cl"	34.969402
"28254"	677.127806	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M-2H+K"	36.948606
"468540"	997.217406	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M-2H+K"	36.948606
"845979"	357.038206	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-2H+K"	36.948606
"1569835"	357.038206	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+K-2H"	36.948606
"955162"	365.087794	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-H+HCOOH"	44.998194
"376053"	685.177401	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+HCOOH-H"	44.998201
"360420"	699.193051	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+Hac-H"	59.013851
"1508038"	379.103451	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Hac-H"	59.013851
"968529"	387.069751	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-H+NaCOOH"	66.980151
"119623"	355.059002	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+2Cl"	69.938804
"554080"	515.103802	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+2Cl"	69.938804
"1029078"	195.014202	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2Cl"	69.938804
"1249750"	399.008485	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Br"	78.918885
"1315482"	401.064472	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Cl+HCOOH"	80.974872
"1335168"	423.046429	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Cl+NaCOOH"	102.956829
"925503"	433.075186	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M-H+CF3COOH"	112.985586
"1302942"	469.051864	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Cl+CF3COOH"	148.962264
"1381463"	285.076924	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H-2H2O"	-35.012676
"1396043"	303.0869	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H-H2O"	-17.0027
"291716"	641.186476	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+H"	1.007276
"683044"	961.276076	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+H"	1.007276
"1359394"	321.096876	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H"	1.007276
"133376"	321.096876	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+2H"	2.014552
"574030"	481.141676	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+2H"	2.014552
"1042831"	161.052076	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2H"	2.014552
"205991"	214.400342666667	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+3H"	3.021828
"655401"	321.096876	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+3H"	3.021828
"1176808"	107.703809333333	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+3H"	3.021828
"438627"	658.213023	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+NH4"	18.033823
"798161"	978.302623	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+NH4"	18.033823
"1696201"	338.123423	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+NH4"	18.033823
"345210"	329.6101495	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+H+NH4"	19.041099
"738080"	489.6549495	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+H+NH4"	19.041099
"1491206"	169.5653495	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H+NH4"	19.041099
"405511"	663.168418	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+Na"	22.989218
"769386"	983.258018	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+Na"	22.989218
"1616798"	343.078818	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Na"	22.989218
"329388"	332.087847	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+H+Na"	23.996494
"722333"	492.132647	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+H+Na"	23.996494
"1476638"	172.043047	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H+Na"	23.996494
"1068019"	115.031123333333	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2H+Na"	25.00377
"1272125"	353.123086	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+CH3OH+H"	33.033486
"388755"	679.142358	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+K"	38.963158
"750842"	999.231958	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+K"	38.963158
"1554723"	359.052758	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+K"	38.963158
"310073"	340.074817	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+H+K"	39.970434
"703955"	500.119617	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+H+K"	39.970434
"1461205"	180.030017	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H+K"	39.970434
"250755"	682.213026	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+ACN+H"	42.033826
"1225283"	362.123426	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+ACN+H"	42.033826
"1208073"	181.565351	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+ACN+2H"	43.041102
"203983"	685.15036	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+2Na-H"	44.97116
"636128"	1005.23996	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+2Na-H"	44.97116
"1137446"	365.06076	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2Na-H"	44.97116
"178549"	343.078818	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+2Na"	45.978436
"615556"	503.123618	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+2Na"	45.978436
"1121614"	183.034018	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2Na"	45.978436
"1401128"	122.358437333333	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H+2Na"	46.985712
"1444920"	367.102346	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H+HCOOH"	47.012746
"235220"	348.11184	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+3H2O+2H"	56.04448
"1522676"	381.15439	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+IsoProp+H"	61.06479
"423946"	351.065788	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+Na+K"	61.952376
"785491"	511.110588	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+Na+K"	61.952376
"1679690"	191.020988	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Na+K"	61.952376
"265117"	704.194968	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+ACN+Na"	64.015768
"1237824"	384.105368	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+ACN+Na"	64.015768
"1725617"	384.128893	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+NH4+HCOOH"	64.039293
"1188784"	129.685751333333	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+3Na"	68.967654
"1658677"	389.084288	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Na+HCOOH"	68.994688
"168820"	717.09824	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+2K-H"	76.91904
"601816"	1037.18784	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+2K-H"	76.91904
"1087428"	397.00864	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2K-H"	76.91904
"148621"	359.052758	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"2M+2K"	77.926316
"593650"	519.097558	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"3M+2K"	77.926316
"1081444"	199.007958	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2K"	77.926316
"1114291"	399.023192	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2K+H"	78.933592
"1351172"	399.110807	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+DMSO+H"	79.021207
"1016291"	403.149976	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2ACN+H"	83.060376
"1534415"	404.143608	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+IsoProp+Na+H"	84.054008
"997581"	202.078626	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+2ACN+2H"	84.067652
"1589899"	405.058228	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+K+HCOOH"	84.968628
"1415314"	435.089738	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+H+CF3COOH"	115.000138
"1149128"	222.591901	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+3ACN+2H"	125.094202
"1701960"	452.116285	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+NH4+CF3COOH"	132.026685
"1646360"	457.07168	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+Na+CF3COOH"	136.98208
"1577637"	473.04562	"C02947"	"4-Coumaroylshikimate;trans-5-O-(4-Coumaroyl)shikimate"	"C16H16O7"	"320.0896"	"M+K+CF3COOH"	152.95602
"808006"	116.0837	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M"	0
"985916"	97.06531	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-H2O-H"	-19.01839
"75253"	76.3818573333333	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M-3H"	-3.021828
"512625"	115.076424	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M-3H"	-3.021828
"893711"	37.6872906666667	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-3H"	-3.021828
"11193"	115.076424	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M-2H"	-2.014552
"453792"	173.118274	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M-2H"	-2.014552
"831118"	57.034574	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-2H"	-2.014552
"93410"	231.160124	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M-H"	-1.007276
"532970"	347.243824	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M-H"	-1.007276
"909071"	115.076424	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-H"	-1.007276
"61382"	248.186671	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M-2H+NH4"	16.019271
"500220"	364.270371	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M-2H+NH4"	16.019271
"877652"	132.102971	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-2H+NH4"	16.019271
"45917"	253.142066	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M-2H+Na"	20.974666
"484018"	369.225766	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M-2H+Na"	20.974666
"856355"	137.058366	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-2H+Na"	20.974666
"1630263"	137.058366	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Na-2H"	20.974666
"100229"	133.064763	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M-H+Cl"	33.962126
"547445"	191.106613	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M-H+Cl"	33.962126
"937680"	75.022913	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-H+Cl"	33.962126
"278425"	267.136802	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+Cl"	34.969402
"670857"	383.220502	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+Cl"	34.969402
"1285082"	151.053102	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Cl"	34.969402
"28365"	269.116006	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M-2H+K"	36.948606
"468656"	385.199706	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M-2H+K"	36.948606
"844635"	153.032306	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-2H+K"	36.948606
"1567761"	153.032306	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+K-2H"	36.948606
"954183"	161.081894	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-H+HCOOH"	44.998194
"375556"	277.165601	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+HCOOH-H"	44.998201
"358833"	291.181251	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+Hac-H"	59.013851
"1506933"	175.097551	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Hac-H"	59.013851
"970826"	183.063851	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-H+NaCOOH"	66.980151
"118639"	151.053102	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+2Cl"	69.938804
"553827"	209.094952	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+2Cl"	69.938804
"1023354"	93.011252	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2Cl"	69.938804
"1249860"	195.002585	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Br"	78.918885
"1316322"	197.058572	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Cl+HCOOH"	80.974872
"1329808"	219.040529	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Cl+NaCOOH"	102.956829
"926464"	229.069286	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M-H+CF3COOH"	112.985586
"1303536"	265.045964	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Cl+CF3COOH"	148.962264
"1380114"	81.071024	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H-2H2O"	-35.012676
"1391048"	99.081	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H-H2O"	-17.0027
"289639"	233.174676	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+H"	1.007276
"683153"	349.258376	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+H"	1.007276
"1358410"	117.090976	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H"	1.007276
"130205"	117.090976	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+2H"	2.014552
"573046"	175.132826	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+2H"	2.014552
"1042941"	59.049126	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2H"	2.014552
"205736"	78.3964093333333	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+3H"	3.021828
"653688"	117.090976	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+3H"	3.021828
"1175460"	39.7018426666667	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+3H"	3.021828
"438007"	250.201223	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+NH4"	18.033823
"798271"	366.284923	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+NH4"	18.033823
"1696433"	134.117523	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+NH4"	18.033823
"345317"	125.6042495	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+H+NH4"	19.041099
"738232"	183.6460995	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+H+NH4"	19.041099
"1491927"	67.5623995	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H+NH4"	19.041099
"407566"	255.156618	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+Na"	22.989218
"769660"	371.240318	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+Na"	22.989218
"1618007"	139.072918	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Na"	22.989218
"329754"	128.081947	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+H+Na"	23.996494
"722733"	186.123797	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+H+Na"	23.996494
"1476834"	70.040097	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H+Na"	23.996494
"1067646"	47.0291566666667	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2H+Na"	25.00377
"1269199"	149.117186	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+CH3OH+H"	33.033486
"387772"	271.130558	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+K"	38.963158
"750952"	387.214258	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+K"	38.963158
"1554346"	155.046858	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+K"	38.963158
"306903"	136.068917	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+H+K"	39.970434
"704794"	194.110767	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+H+K"	39.970434
"1461131"	78.027067	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H+K"	39.970434
"250744"	274.201226	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+ACN+H"	42.033826
"1224787"	158.117526	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+ACN+H"	42.033826
"1208547"	79.562401	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+ACN+2H"	43.041102
"200688"	277.13856	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+2Na-H"	44.97116
"636237"	393.22226	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+2Na-H"	44.97116
"1136826"	161.05486	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2Na-H"	44.97116
"180845"	139.072918	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+2Na"	45.978436
"619310"	197.114768	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+2Na"	45.978436
"1121724"	81.031068	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2Na"	45.978436
"1402331"	54.3564706666667	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H+2Na"	46.985712
"1444301"	163.096446	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H+HCOOH"	47.012746
"233629"	144.10594	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+3H2O+2H"	56.04448
"1521692"	177.14849	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+IsoProp+H"	61.06479
"423811"	147.059888	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+Na+K"	61.952376
"785218"	205.101738	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+Na+K"	61.952376
"1680531"	89.018038	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Na+K"	61.952376
"264134"	296.183168	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+ACN+Na"	64.015768
"1236841"	180.099468	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+ACN+Na"	64.015768
"1725727"	180.122993	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+NH4+HCOOH"	64.039293
"1191080"	61.6837846666667	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+3Na"	68.967654
"1658788"	185.078388	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Na+HCOOH"	68.994688
"168930"	309.08644	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+2K-H"	76.91904
"601927"	425.17014	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+2K-H"	76.91904
"1090818"	193.00274	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2K-H"	76.91904
"154199"	155.046858	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"2M+2K"	77.926316
"586106"	213.088708	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"3M+2K"	77.926316
"1073899"	97.005008	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2K"	77.926316
"1114279"	195.017292	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2K+H"	78.933592
"1350422"	195.104907	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+DMSO+H"	79.021207
"1016401"	199.144076	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2ACN+H"	83.060376
"1535618"	200.137708	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+IsoProp+Na+H"	84.054008
"996598"	100.075676	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+2ACN+2H"	84.067652
"1590009"	201.052328	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+K+HCOOH"	84.968628
"1415668"	231.083838	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+H+CF3COOH"	115.000138
"1149238"	120.588951	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+3ACN+2H"	125.094202
"1702070"	248.110385	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+NH4+CF3COOH"	132.026685
"1646470"	253.06578	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+Na+CF3COOH"	136.98208
"1577747"	269.03972	"C02948"	"4-Hydroxyhexan-3-one;4-Hydroxy-3-hexanone;Propioin"	"C6H12O2"	"116.0837"	"M+K+CF3COOH"	152.95602
"808116"	887.1363	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M"	0
"983840"	868.11791	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H2O-H"	-19.01839
"73174"	590.416924	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-3H"	-3.021828
"509454"	886.129024	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-3H"	-3.021828
"894916"	294.704824	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-3H"	-3.021828
"12396"	886.129024	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H"	-2.014552
"453780"	1329.697174	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H"	-2.014552
"829404"	442.560874	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H"	-2.014552
"91575"	1773.265324	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-H"	-1.007276
"531500"	2660.401624	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-H"	-1.007276
"908209"	886.129024	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H"	-1.007276
"59303"	1790.291871	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+NH4"	16.019271
"499233"	2677.428171	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+NH4"	16.019271
"877395"	903.155571	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+NH4"	16.019271
"43476"	1795.247266	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+Na"	20.974666
"481940"	2682.383566	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+Na"	20.974666
"856464"	908.110966	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+Na"	20.974666
"1627093"	908.110966	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na-2H"	20.974666
"97060"	904.117363	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-H+Cl"	33.962126
"540994"	1347.685513	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-H+Cl"	33.962126
"937790"	460.549213	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+Cl"	33.962126
"278171"	1809.242002	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Cl"	34.969402
"672059"	2696.378302	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Cl"	34.969402
"1283367"	922.105702	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl"	34.969402
"25921"	1811.221206	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+K"	36.948606
"466574"	2698.357506	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+K"	36.948606
"843283"	924.084906	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+K"	36.948606
"1565679"	924.084906	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K-2H"	36.948606
"953561"	932.134494	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+HCOOH"	44.998194
"374328"	1819.270801	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+HCOOH-H"	44.998201
"356753"	1833.286451	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Hac-H"	59.013851
"1505219"	946.150151	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Hac-H"	59.013851
"966563"	954.116451	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+NaCOOH"	66.980151
"112187"	922.105702	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Cl"	69.938804
"554301"	1365.673852	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Cl"	69.938804
"1021762"	478.537552	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Cl"	69.938804
"1247054"	966.055185	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Br"	78.918885
"1314609"	968.111172	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+HCOOH"	80.974872
"1327732"	990.093129	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+NaCOOH"	102.956829
"925844"	1000.121886	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+CF3COOH"	112.985586
"1302064"	1036.098564	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+CF3COOH"	148.962264
"1376942"	852.123624	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H-2H2O"	-35.012676
"1393346"	870.1336	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H-H2O"	-17.0027
"288656"	1775.279876	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H"	1.007276
"681075"	2662.416176	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H"	1.007276
"1356334"	888.143576	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H"	1.007276
"127520"	888.143576	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2H"	2.014552
"569876"	1331.711726	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2H"	2.014552
"1043051"	444.575426	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2H"	2.014552
"206211"	592.431476	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+3H"	3.021828
"653798"	888.143576	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+3H"	3.021828
"1172654"	296.719376	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3H"	3.021828
"437388"	1792.306423	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+NH4"	18.033823
"796195"	2679.442723	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+NH4"	18.033823
"1696626"	905.170123	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4"	18.033823
"344698"	896.6568495	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+NH4"	19.041099
"738289"	1340.2249995	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+NH4"	19.041099
"1492037"	453.0886995	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+NH4"	19.041099
"407433"	1797.261818	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Na"	22.989218
"766727"	2684.398118	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Na"	22.989218
"1617023"	910.125518	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na"	22.989218
"328516"	899.134547	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+Na"	23.996494
"722152"	1342.702697	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+Na"	23.996494
"1475729"	455.566397	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+Na"	23.996494
"1068117"	304.04669	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2H+Na"	25.00377
"1270400"	920.169786	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+CH3OH+H"	33.033486
"392377"	1813.235758	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+K"	38.963158
"747781"	2700.372058	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+K"	38.963158
"1554821"	926.099458	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K"	38.963158
"304826"	907.121517	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+K"	39.970434
"703445"	1350.689667	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+K"	39.970434
"1459457"	463.553367	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+K"	39.970434
"248423"	1816.306426	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+ACN+H"	42.033826
"1222953"	929.170126	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+H"	42.033826
"1207199"	465.088701	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+2H"	43.041102
"199705"	1819.24376	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Na-H"	44.97116
"637440"	2706.38006	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Na-H"	44.97116
"1136936"	932.10746	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Na-H"	44.97116
"180955"	910.125518	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Na"	45.978436
"619420"	1353.693668	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Na"	45.978436
"1121831"	466.557368	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Na"	45.978436
"1406451"	311.374004	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+2Na"	46.985712
"1441853"	934.149046	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+HCOOH"	47.012746
"233373"	915.15854	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+3H2O+2H"	56.04448
"1520710"	948.20109	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+IsoProp+H"	61.06479
"421854"	918.112488	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Na+K"	61.952376
"785283"	1361.680638	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Na+K"	61.952376
"1678454"	474.544338	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+K"	61.952376
"263151"	1838.288368	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+ACN+Na"	64.015768
"1237680"	951.152068	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+Na"	64.015768
"1725838"	951.175593	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4+HCOOH"	64.039293
"1191190"	318.701318	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3Na"	68.967654
"1662178"	956.130988	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+HCOOH"	68.994688
"167946"	1851.19164	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2K-H"	76.91904
"604224"	2738.32794	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2K-H"	76.91904
"1089835"	964.05534	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K-H"	76.91904
"153216"	926.099458	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2K"	77.926316
"586216"	1369.667608	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2K"	77.926316
"1077289"	482.531308	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K"	77.926316
"1114268"	966.069892	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K+H"	78.933592
"1349074"	966.157507	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+DMSO+H"	79.021207
"1016512"	970.196676	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2ACN+H"	83.060376
"1534635"	971.190308	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+IsoProp+Na+H"	84.054008
"994521"	485.601976	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2ACN+2H"	84.067652
"1590119"	972.104928	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K+HCOOH"	84.968628
"1415778"	1002.136438	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+CF3COOH"	115.000138
"1149348"	506.115251	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3ACN+2H"	125.094202
"1702180"	1019.162985	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4+CF3COOH"	132.026685
"1646580"	1024.11838	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+CF3COOH"	136.98208
"1577857"	1040.09232	"C02949"	"4-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K+CF3COOH"	152.95602
"808226"	232.0372	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M"	0
"983950"	213.01881	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-H2O-H"	-19.01839
"73284"	153.684190666667	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M-3H"	-3.021828
"511750"	231.029924	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M-3H"	-3.021828
"893932"	76.3384573333333	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-3H"	-3.021828
"10320"	231.029924	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M-2H"	-2.014552
"452067"	347.048524	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M-2H"	-2.014552
"831696"	115.011324	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-2H"	-2.014552
"90955"	463.067124	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M-H"	-1.007276
"531610"	695.104324	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M-H"	-1.007276
"909779"	231.029924	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-H"	-1.007276
"58320"	480.093671	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M-2H+NH4"	16.019271
"500067"	712.130871	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M-2H+NH4"	16.019271
"876776"	248.056471	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-2H+NH4"	16.019271
"45043"	485.049066	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M-2H+Na"	20.974666
"483143"	717.086266	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M-2H+Na"	20.974666
"856574"	253.011866	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-2H+Na"	20.974666
"1631213"	253.011866	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Na-2H"	20.974666
"97170"	249.018263	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M-H+Cl"	33.962126
"541104"	365.036863	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M-H+Cl"	33.962126
"939723"	132.999663	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-H+Cl"	33.962126
"279742"	499.043802	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+Cl"	34.969402
"674115"	731.081002	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+Cl"	34.969402
"1284570"	267.006602	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Cl"	34.969402
"27125"	501.023006	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M-2H+K"	36.948606
"465592"	733.060206	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M-2H+K"	36.948606
"844485"	268.985806	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-2H+K"	36.948606
"1566882"	268.985806	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+K-2H"	36.948606
"953671"	277.035394	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-H+HCOOH"	44.998194
"374073"	509.072601	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+HCOOH-H"	44.998201
"357592"	523.088251	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+Hac-H"	59.013851
"1502413"	291.051051	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Hac-H"	59.013851
"964850"	299.017351	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-H+NaCOOH"	66.980151
"111446"	267.006602	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+2Cl"	69.938804
"552588"	383.025202	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+2Cl"	69.938804
"1021625"	150.988002	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2Cl"	69.938804
"1246800"	310.956085	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Br"	78.918885
"1314355"	313.012072	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Cl+HCOOH"	80.974872
"1327842"	334.994029	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Cl+NaCOOH"	102.956829
"926198"	345.022786	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M-H+CF3COOH"	112.985586
"1303753"	380.999464	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Cl+CF3COOH"	148.962264
"1379604"	197.024524	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H-2H2O"	-35.012676
"1393091"	215.0345	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H-H2O"	-17.0027
"289859"	465.081676	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+H"	1.007276
"680092"	697.118876	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+H"	1.007276
"1356444"	233.044476	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H"	1.007276
"127873"	233.044476	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+2H"	2.014552
"568893"	349.063076	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+2H"	2.014552
"1039148"	117.025876	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2H"	2.014552
"207413"	155.698742666667	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+3H"	3.021828
"648437"	233.044476	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+3H"	3.021828
"1175680"	78.3530093333333	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+3H"	3.021828
"437498"	482.108223	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+NH4"	18.033823
"797398"	714.145423	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+NH4"	18.033823
"1696701"	250.071023	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+NH4"	18.033823
"344929"	241.5577495	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+H+NH4"	19.041099
"738403"	357.5763495	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+H+NH4"	19.041099
"1492389"	125.5391495	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H+NH4"	19.041099
"407907"	487.063618	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+Na"	22.989218
"765744"	719.100818	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+Na"	22.989218
"1617984"	255.026418	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Na"	22.989218
"329600"	244.035447	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+H+Na"	23.996494
"721413"	360.054047	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+H+Na"	23.996494
"1476771"	128.016847	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H+Na"	23.996494
"1067741"	85.6803233333333	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2H+Na"	25.00377
"1270511"	265.070686	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+CH3OH+H"	33.033486
"392609"	503.037558	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+K"	38.963158
"747891"	735.074758	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+K"	38.963158
"1555017"	271.000358	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+K"	38.963158
"313319"	252.022417	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+H+K"	39.970434
"705013"	368.041017	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+H+K"	39.970434
"1457746"	136.003817	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H+K"	39.970434
"248534"	506.108226	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+ACN+H"	42.033826
"1223428"	274.071026	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+ACN+H"	42.033826
"1207310"	137.539151	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+ACN+2H"	43.041102
"200180"	509.04556	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+2Na-H"	44.97116
"639737"	741.08276	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+2Na-H"	44.97116
"1137775"	277.00836	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2Na-H"	44.97116
"182159"	255.026418	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+2Na"	45.978436
"621716"	371.045018	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+2Na"	45.978436
"1119390"	139.007818	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2Na"	45.978436
"1404375"	93.0076373333333	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H+2Na"	46.985712
"1438680"	279.049946	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H+HCOOH"	47.012746
"230563"	260.05944	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+3H2O+2H"	56.04448
"1520086"	293.10199	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+IsoProp+H"	61.06479
"417221"	263.013388	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+Na+K"	61.952376
"782597"	379.031988	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+Na+K"	61.952376
"1678564"	146.994788	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Na+K"	61.952376
"261803"	528.090168	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+ACN+Na"	64.015768
"1237428"	296.052968	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+ACN+Na"	64.015768
"1723761"	296.076493	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+NH4+HCOOH"	64.039293
"1188020"	100.334951333333	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+3Na"	68.967654
"1661195"	301.031888	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Na+HCOOH"	68.994688
"166963"	540.99344	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+2K-H"	76.91904
"603241"	773.03064	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+2K-H"	76.91904
"1089945"	308.95624	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2K-H"	76.91904
"144938"	271.000358	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"2M+2K"	77.926316
"586325"	387.018958	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"3M+2K"	77.926316
"1071202"	154.981758	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2K"	77.926316
"1114257"	310.970792	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2K+H"	78.933592
"1349181"	311.058407	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+DMSO+H"	79.021207
"1019780"	315.097576	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2ACN+H"	83.060376
"1534745"	316.091208	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+IsoProp+Na+H"	84.054008
"995724"	158.052426	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+2ACN+2H"	84.067652
"1591322"	317.005828	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+K+HCOOH"	84.968628
"1418074"	347.037338	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+H+CF3COOH"	115.000138
"1149458"	178.565701	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+3ACN+2H"	125.094202
"1702290"	364.063885	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+NH4+CF3COOH"	132.026685
"1646690"	369.01928	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+Na+CF3COOH"	136.98208
"1577967"	384.99322	"C02951"	"5-Hydroxyxanthotoxin"	"C12H8O5"	"232.0372"	"M+K+CF3COOH"	152.95602
"808336"	182.0943	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M"	0
"984061"	163.07591	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"71207"	120.388924	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"508580"	181.087024	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"894770"	59.690824	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"10430"	181.087024	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"451813"	272.134174	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"831074"	90.039874	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"92159"	363.181324	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"530627"	545.275624	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"909527"	181.087024	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"60617"	380.207871	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"501274"	562.302171	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"874699"	198.113571	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"45521"	385.163266	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"485078"	567.257566	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"858871"	203.068966	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1631323"	203.068966	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"100560"	199.075363	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"544494"	290.122513	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"939104"	108.028213	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"278757"	399.158002	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"674711"	581.252302	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1286504"	217.063702	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"27234"	401.137206	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"467888"	583.231506	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"842409"	219.042906	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1565897"	219.042906	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"952687"	227.092494	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"370172"	409.186801	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"359158"	423.202451	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1499241"	241.108151	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"965324"	249.074451	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"113501"	217.063702	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"554885"	308.110852	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1022346"	126.016552	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1250190"	261.013185	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1313737"	263.069172	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1329045"	285.051129	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"925215"	295.079886	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1302529"	331.056564	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1379714"	147.081624	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1393567"	165.0916	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"288876"	365.195876	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"683483"	547.290176	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1356554"	183.101576	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"129076"	183.101576	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"570096"	274.148726	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1041445"	92.054426	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"208252"	122.403476	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"647454"	183.101576	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1177736"	61.705376	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"435423"	382.222423	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"798602"	564.316723	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1696644"	200.128123	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"343218"	191.6148495	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"738430"	282.6619995	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1492256"	100.5676995	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"404858"	387.177818	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"763667"	569.272118	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1617963"	205.083518	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"329581"	194.092547	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"722460"	285.139697	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1474606"	103.045397	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1065662"	69.03269	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1270256"	215.127786	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"389923"	403.151758	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"746908"	585.246058	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1553702"	221.057458	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"305044"	202.079517	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"694550"	293.126667	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1456759"	111.032367	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"249010"	406.222426	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1219163"	224.128126	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1204136"	112.567701	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"199193"	409.15976	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"637661"	591.25406	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1137885"	227.06546	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"182269"	205.083518	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"617454"	296.130668	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1118285"	114.036368	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1402299"	76.360004	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1437697"	229.107046	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"230673"	210.11654	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1517643"	243.15909	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"418424"	213.070488	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"782706"	304.117638	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1680376"	122.023338	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"262641"	428.204368	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1236445"	246.110068	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1724235"	246.133593	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1189223"	83.687318	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1661305"	251.088988	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"170720"	441.10764	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"603351"	623.20194	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1094425"	259.01334	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"149058"	221.057458	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"586435"	312.104608	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1074228"	130.010308	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1112905"	261.027892	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1341635"	261.115507	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1018919"	265.154676	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1534855"	266.148308	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"996928"	133.080976	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1593619"	267.062928	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1418185"	297.094438	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1149564"	153.594251	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1698023"	314.120985	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1646800"	319.07638	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1578077"	335.05032	"C02952"	"5-Oxo-12-campholide;()-5-Oxo-12-campholide"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"808446"	239.1018	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M"	0
"984170"	220.08341	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H2O-H"	-19.01839
"71317"	158.393924	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-3H"	-3.021828
"508690"	238.094524	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-3H"	-3.021828
"894882"	78.693324	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-3H"	-3.021828
"11998"	238.094524	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H"	-2.014552
"452652"	357.645424	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H"	-2.014552
"830456"	118.543624	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H"	-2.014552
"91171"	477.196324	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-H"	-1.007276
"526357"	716.298124	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-H"	-1.007276
"907079"	238.094524	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H"	-1.007276
"59269"	494.222871	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H+NH4"	16.019271
"495913"	733.324671	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H+NH4"	16.019271
"874807"	255.121071	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H+NH4"	16.019271
"44537"	499.178266	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H+Na"	20.974666
"482270"	738.280066	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H+Na"	20.974666
"858981"	260.076466	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H+Na"	20.974666
"1631797"	260.076466	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na-2H"	20.974666
"100670"	256.082863	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-H+Cl"	33.962126
"544604"	375.633763	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-H+Cl"	33.962126
"940307"	136.531963	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+Cl"	33.962126
"278867"	513.173002	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Cl"	34.969402
"675064"	752.274802	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+Cl"	34.969402
"1286979"	274.071202	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl"	34.969402
"30262"	515.152206	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H+K"	36.948606
"466905"	754.254006	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H+K"	36.948606
"844706"	276.050406	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H+K"	36.948606
"1564913"	276.050406	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K-2H"	36.948606
"951702"	284.099994	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+HCOOH"	44.998194
"371011"	523.201801	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+HCOOH-H"	44.998201
"358175"	537.217451	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Hac-H"	59.013851
"1498259"	298.115651	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Hac-H"	59.013851
"964706"	306.081951	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+NaCOOH"	66.980151
"112518"	274.071202	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2Cl"	69.938804
"553171"	393.622102	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2Cl"	69.938804
"1022701"	154.520302	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2Cl"	69.938804
"1247020"	318.020685	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Br"	78.918885
"1313847"	320.076672	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl+HCOOH"	80.974872
"1326968"	342.058629	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl+NaCOOH"	102.956829
"922402"	352.087386	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+CF3COOH"	112.985586
"1302395"	388.064064	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl+CF3COOH"	148.962264
"1378366"	204.089124	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H-2H2O"	-35.012676
"1393674"	222.0991	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H-H2O"	-17.0027
"290078"	479.210876	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H"	1.007276
"684686"	718.312676	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H"	1.007276
"1356664"	240.109076	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H"	1.007276
"130645"	240.109076	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2H"	2.014552
"573486"	359.659976	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2H"	2.014552
"1041191"	120.558176	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2H"	2.014552
"207997"	160.408476	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+3H"	3.021828
"647564"	240.109076	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+3H"	3.021828
"1176267"	80.707876	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+3H"	3.021828
"435533"	496.237423	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+NH4"	18.033823
"798348"	735.339223	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+NH4"	18.033823
"1695416"	257.135623	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+NH4"	18.033823
"341140"	248.6223495	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H+NH4"	19.041099
"738026"	368.1732495	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H+NH4"	19.041099
"1492002"	129.0714495	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+NH4"	19.041099
"403875"	501.192818	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Na"	22.989218
"763777"	740.294618	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+Na"	22.989218
"1618414"	262.091018	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na"	22.989218
"326286"	251.100047	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H+Na"	23.996494
"722766"	370.650947	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H+Na"	23.996494
"1475809"	131.549147	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+Na"	23.996494
"1065772"	88.03519	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2H+Na"	25.00377
"1271459"	272.135286	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+CH3OH+H"	33.033486
"391856"	517.166758	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+K"	38.963158
"748477"	756.268558	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+K"	38.963158
"1554785"	278.064958	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K"	38.963158
"305154"	259.087017	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H+K"	39.970434
"695388"	378.637917	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H+K"	39.970434
"1455776"	139.536117	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+K"	39.970434
"249120"	520.237426	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+H"	42.033826
"1219272"	281.135626	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+ACN+H"	42.033826
"1200967"	141.071451	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+ACN+2H"	43.041102
"199304"	523.17476	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2Na-H"	44.97116
"638863"	762.27656	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2Na-H"	44.97116
"1142007"	284.07296	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2Na-H"	44.97116
"183474"	262.091018	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2Na"	45.978436
"616836"	381.641918	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2Na"	45.978436
"1118883"	142.540118	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2Na"	45.978436
"1401316"	95.362504	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+2Na"	46.985712
"1437807"	286.114546	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+HCOOH"	47.012746
"227504"	267.12404	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+3H2O+2H"	56.04448
"1514474"	300.16659	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+H"	61.06479
"418534"	270.077988	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Na+K"	61.952376
"782451"	389.628888	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+Na+K"	61.952376
"1676593"	150.527088	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na+K"	61.952376
"261291"	542.219368	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+Na"	64.015768
"1237647"	303.117568	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+ACN+Na"	64.015768
"1725437"	303.141093	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+NH4+HCOOH"	64.039293
"1190062"	102.689818	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+3Na"	68.967654
"1659228"	308.096488	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na+HCOOH"	68.994688
"164994"	555.12264	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2K-H"	76.91904
"603461"	794.22444	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2K-H"	76.91904
"1090164"	316.02084	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2K-H"	76.91904
"150261"	278.064958	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2K"	77.926316
"584358"	397.615858	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2K"	77.926316
"1077620"	158.514058	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2K"	77.926316
"1113018"	318.035392	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2K+H"	78.933592
"1346120"	318.123007	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+DMSO+H"	79.021207
"1019029"	322.162176	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+H"	83.060376
"1534964"	323.155808	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+Na+H"	84.054008
"1002506"	161.584726	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+2H"	84.067652
"1597010"	324.070428	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K+HCOOH"	84.968628
"1418296"	354.101938	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+CF3COOH"	115.000138
"1150769"	182.098001	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+3ACN+2H"	125.094202
"1699591"	371.128485	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+NH4+CF3COOH"	132.026685
"1637068"	376.08388	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na+CF3COOH"	136.98208
"1571989"	392.05782	"C02953"	"78-Dihydrobiopterin;L-erythro-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K+CF3COOH"	152.95602
"808556"	216.0569	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M"	0
"985008"	197.03851	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-H2O-H"	-19.01839
"68147"	143.030657333333	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M-3H"	-3.021828
"508800"	215.049624	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M-3H"	-3.021828
"892074"	71.0116906666667	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-3H"	-3.021828
"9556"	215.049624	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M-2H"	-2.014552
"450210"	323.078074	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M-2H"	-2.014552
"824732"	107.021174	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-2H"	-2.014552
"85814"	431.106524	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M-H"	-1.007276
"525373"	647.163424	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M-H"	-1.007276
"902085"	215.049624	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-H"	-1.007276
"52086"	448.133071	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M-2H+NH4"	16.019271
"494929"	664.189971	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M-2H+NH4"	16.019271
"870540"	232.076171	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-2H+NH4"	16.019271
"37349"	453.088466	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M-2H+Na"	20.974666
"478004"	669.145366	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M-2H+Na"	20.974666
"857998"	237.031566	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-2H+Na"	20.974666
"1629721"	237.031566	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Na-2H"	20.974666
"97500"	233.037963	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M-H+Cl"	33.962126
"540341"	341.066413	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M-H+Cl"	33.962126
"936045"	125.009513	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-H+Cl"	33.962126
"276791"	467.083202	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+Cl"	34.969402
"675177"	683.140102	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+Cl"	34.969402
"1287820"	251.026302	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Cl"	34.969402
"30942"	469.062406	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M-2H+K"	36.948606
"467015"	685.119306	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M-2H+K"	36.948606
"843723"	253.005506	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-2H+K"	36.948606
"1562837"	253.005506	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+K-2H"	36.948606
"951812"	261.055094	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-H+HCOOH"	44.998194
"370028"	477.112001	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+HCOOH-H"	44.998201
"355006"	491.127651	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+Hac-H"	59.013851
"1498369"	275.070751	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Hac-H"	59.013851
"964816"	283.037051	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-H+NaCOOH"	66.980151
"111170"	251.026302	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+2Cl"	69.938804
"550730"	359.054752	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+2Cl"	69.938804
"1021714"	142.997852	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2Cl"	69.938804
"1247130"	294.975785	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Br"	78.918885
"1313957"	297.031772	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Cl+HCOOH"	80.974872
"1328171"	319.013729	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Cl+NaCOOH"	102.956829
"922512"	329.042486	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M-H+CF3COOH"	112.985586
"1303234"	365.019164	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Cl+CF3COOH"	148.962264
"1376289"	181.044224	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H-2H2O"	-35.012676
"1389409"	199.0542	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H-H2O"	-17.0027
"289095"	433.121076	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+H"	1.007276
"680424"	649.177976	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+H"	1.007276
"1357867"	217.064176	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H"	1.007276
"130755"	217.064176	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+2H"	2.014552
"570316"	325.092626	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+2H"	2.014552
"1040207"	109.035726	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2H"	2.014552
"207014"	145.045209333333	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+3H"	3.021828
"647673"	217.064176	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+3H"	3.021828
"1171270"	73.0262426666667	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+3H"	3.021828
"436371"	450.147623	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+NH4"	18.033823
"797728"	666.204523	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+NH4"	18.033823
"1692606"	234.090723	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+NH4"	18.033823
"339062"	225.5774495	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+H+NH4"	19.041099
"731481"	333.6058995	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+H+NH4"	19.041099
"1490775"	117.5489995	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H+NH4"	19.041099
"402892"	455.103018	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+Na"	22.989218
"762794"	671.159918	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+Na"	22.989218
"1617578"	239.046118	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Na"	22.989218
"325303"	228.055147	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+H+Na"	23.996494
"722472"	336.083597	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+H+Na"	23.996494
"1473733"	120.026697	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H+Na"	23.996494
"1063696"	80.3535566666667	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2H+Na"	25.00377
"1270723"	249.090386	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+CH3OH+H"	33.033486
"390509"	471.076958	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+K"	38.963158
"751869"	687.133858	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+K"	38.963158
"1553193"	255.020058	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+K"	38.963158
"308180"	236.042117	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+H+K"	39.970434
"692947"	344.070567	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+H+K"	39.970434
"1454793"	128.013667	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H+K"	39.970434
"247772"	474.147626	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+ACN+H"	42.033826
"1220115"	258.090726	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+ACN+H"	42.033826
"1199985"	129.549001	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+ACN+2H"	43.041102
"196137"	477.08496	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+2Na-H"	44.97116
"635694"	693.14186	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+2Na-H"	44.97116
"1140295"	261.02806	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2Na-H"	44.97116
"182491"	239.046118	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+2Na"	45.978436
"615490"	347.074568	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+2Na"	45.978436
"1118995"	131.017668	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2Na"	45.978436
"1401426"	87.6808706666667	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H+2Na"	46.985712
"1435731"	263.069646	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H+HCOOH"	47.012746
"226521"	244.07914	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+3H2O+2H"	56.04448
"1514584"	277.12169	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+IsoProp+H"	61.06479
"412083"	247.033088	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+Na+K"	61.952376
"779644"	355.061538	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+Na+K"	61.952376
"1678530"	139.004638	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Na+K"	61.952376
"263223"	496.129568	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+ACN+Na"	64.015768
"1238850"	280.072668	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+ACN+Na"	64.015768
"1720809"	280.096193	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+NH4+HCOOH"	64.039293
"1189445"	95.0081846666667	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+3Na"	68.967654
"1662617"	285.051588	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Na+HCOOH"	68.994688
"166198"	509.03284	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+2K-H"	76.91904
"602482"	725.08974	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+2K-H"	76.91904
"1094650"	292.97594	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2K-H"	76.91904
"153656"	255.020058	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"2M+2K"	77.926316
"584468"	363.048508	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"3M+2K"	77.926316
"1074450"	146.991608	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2K"	77.926316
"1112400"	294.990492	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2K+H"	78.933592
"1347325"	295.078107	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+DMSO+H"	79.021207
"1019139"	299.117276	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2ACN+H"	83.060376
"1536172"	300.110908	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+IsoProp+Na+H"	84.054008
"999339"	150.062276	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+2ACN+2H"	84.067652
"1593840"	301.025528	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+K+HCOOH"	84.968628
"1418406"	331.057038	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+H+CF3COOH"	115.000138
"1155256"	170.575551	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+3ACN+2H"	125.094202
"1697149"	348.083585	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+NH4+CF3COOH"	132.026685
"1645927"	353.03898	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+Na+CF3COOH"	136.98208
"1578297"	369.01292	"C02954"	"6-Aminopenicillanate;6-Aminopenicillanic acid"	"C8H12N2O3S"	"216.0569"	"M+K+CF3COOH"	152.95602
"808666"	276.2453	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M"	0
"987669"	257.22691	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H2O-H"	-19.01839
"71537"	183.156257333333	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-3H"	-3.021828
"508910"	275.238024	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-3H"	-3.021828
"894736"	91.0744906666666	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-3H"	-3.021828
"12218"	275.238024	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H"	-2.014552
"451779"	413.360674	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H"	-2.014552
"828121"	137.115374	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H"	-2.014552
"87017"	551.483324	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-H"	-1.007276
"524390"	827.728624	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-H"	-1.007276
"905474"	275.238024	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H"	-1.007276
"53289"	568.509871	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+NH4"	16.019271
"499048"	844.755171	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+NH4"	16.019271
"869557"	292.264571	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+NH4"	16.019271
"37459"	573.465266	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+Na"	20.974666
"480301"	849.710566	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+Na"	20.974666
"862852"	297.219966	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+Na"	20.974666
"1630924"	297.219966	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na-2H"	20.974666
"100890"	293.226363	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-H+Cl"	33.962126
"542638"	431.349013	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-H+Cl"	33.962126
"933966"	155.103713	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+Cl"	33.962126
"278724"	587.460002	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Cl"	34.969402
"675165"	863.705302	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Cl"	34.969402
"1282821"	311.214702	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl"	34.969402
"30240"	589.439206	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+K"	36.948606
"468219"	865.684506	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+K"	36.948606
"841646"	313.193906	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+K"	36.948606
"1562947"	313.193906	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K-2H"	36.948606
"949736"	321.243494	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+HCOOH"	44.998194
"367951"	597.488801	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+HCOOH-H"	44.998201
"352928"	611.504451	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Hac-H"	59.013851
"1498843"	335.259151	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Hac-H"	59.013851
"964926"	343.225451	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+NaCOOH"	66.980151
"111641"	311.214702	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Cl"	69.938804
"551203"	449.337352	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Cl"	69.938804
"1022191"	173.092052	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Cl"	69.938804
"1245781"	355.164185	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Br"	78.918885
"1315158"	357.220172	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+HCOOH"	80.974872
"1327187"	379.202129	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+NaCOOH"	102.956829
"920434"	389.230886	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+CF3COOH"	112.985586
"1299332"	425.207564	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+CF3COOH"	148.962264
"1378585"	241.232624	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H-2H2O"	-35.012676
"1385144"	259.2426	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H-H2O"	-17.0027
"284831"	553.497876	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H"	1.007276
"680534"	829.743176	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H"	1.007276
"1353238"	277.252576	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H"	1.007276
"128312"	277.252576	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2H"	2.014552
"570425"	415.375226	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2H"	2.014552
"1038858"	139.129926	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2H"	2.014552
"207122"	185.170809333333	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+3H"	3.021828
"646689"	277.252576	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+3H"	3.021828
"1171380"	93.0890426666667	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3H"	3.021828
"438668"	570.524423	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+NH4"	18.033823
"799299"	846.769723	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+NH4"	18.033823
"1693081"	294.279123	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4"	18.033823
"340266"	285.7658495	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+NH4"	19.041099
"731591"	423.8884995	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+NH4"	19.041099
"1490521"	147.6431995	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+NH4"	19.041099
"403002"	575.479818	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Na"	22.989218
"765091"	851.725118	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Na"	22.989218
"1616961"	299.234518	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na"	22.989218
"326507"	288.243547	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+Na"	23.996494
"721128"	426.366197	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+Na"	23.996494
"1475792"	150.120897	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+Na"	23.996494
"1064900"	100.416356666667	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2H+Na"	25.00377
"1267672"	309.278786	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+CH3OH+H"	33.033486
"390255"	591.453758	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+K"	38.963158
"751979"	867.699058	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+K"	38.963158
"1549293"	315.208458	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K"	38.963158
"302822"	296.230517	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+K"	39.970434
"694148"	434.353167	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+K"	39.970434
"1455994"	158.107867	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+K"	39.970434
"245692"	594.524426	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+ACN+H"	42.033826
"1219498"	318.279126	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+H"	42.033826
"1201188"	159.643201	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+2H"	43.041102
"196245"	597.46176	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Na-H"	44.97116
"635804"	873.70706	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Na-H"	44.97116
"1137122"	321.21646	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Na-H"	44.97116
"181507"	299.234518	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Na"	45.978436
"615600"	437.357168	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Na"	45.978436
"1119105"	161.111868	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Na"	45.978436
"1402629"	107.743670666667	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+2Na"	46.985712
"1433653"	323.258046	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+HCOOH"	47.012746
"225536"	304.26754	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+3H2O+2H"	56.04448
"1515787"	337.31009	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+IsoProp+H"	61.06479
"412193"	307.221488	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Na+K"	61.952376
"780845"	445.344138	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Na+K"	61.952376
"1677179"	169.098838	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+K"	61.952376
"256043"	616.506368	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+ACN+Na"	64.015768
"1233124"	340.261068	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+Na"	64.015768
"1718732"	340.284593	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4+HCOOH"	64.039293
"1186275"	115.070984666667	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3Na"	68.967654
"1655073"	345.239988	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+HCOOH"	68.994688
"159749"	629.40964	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2K-H"	76.91904
"602592"	905.65494	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2K-H"	76.91904
"1093667"	353.16434	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K-H"	76.91904
"149391"	315.208458	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2K"	77.926316
"585671"	453.331108	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2K"	77.926316
"1077840"	177.085808	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K"	77.926316
"1114332"	355.178892	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K+H"	78.933592
"1348528"	355.266507	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+DMSO+H"	79.021207
"1018156"	359.305676	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2ACN+H"	83.060376
"1537011"	360.299308	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+IsoProp+Na+H"	84.054008
"1003457"	180.156476	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2ACN+2H"	84.067652
"1592857"	361.213928	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K+HCOOH"	84.968628
"1418516"	391.245438	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+CF3COOH"	115.000138
"1155366"	200.669751	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3ACN+2H"	125.094202
"1697038"	408.271985	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4+CF3COOH"	132.026685
"1646037"	413.22738	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+CF3COOH"	136.98208
"1578407"	429.20132	"C02956"	"7beta-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K+CF3COOH"	152.95602
"808776"	266.1015	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M"	0
"984499"	247.08311	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-H2O-H"	-19.01839
"68367"	176.393724	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M-3H"	-3.021828
"509020"	265.094224	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M-3H"	-3.021828
"891198"	87.693224	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-3H"	-3.021828
"12691"	265.094224	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M-2H"	-2.014552
"450430"	398.144974	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M-2H"	-2.014552
"827138"	132.043474	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-2H"	-2.014552
"88220"	531.195724	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M-H"	-1.007276
"525593"	797.297224	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M-H"	-1.007276
"904491"	265.094224	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-H"	-1.007276
"52305"	548.222271	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M-2H+NH4"	16.019271
"496242"	814.323771	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M-2H+NH4"	16.019271
"869667"	282.120771	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-2H+NH4"	16.019271
"37569"	553.177666	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M-2H+Na"	20.974666
"478223"	819.279166	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M-2H+Na"	20.974666
"861136"	287.076166	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-2H+Na"	20.974666
"1629941"	287.076166	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Na-2H"	20.974666
"101000"	283.082563	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M-H+Cl"	33.962126
"542748"	416.133313	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M-H+Cl"	33.962126
"934076"	150.031813	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-H+Cl"	33.962126
"276647"	567.172402	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+Cl"	34.969402
"674913"	833.273902	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+Cl"	34.969402
"1282931"	301.070902	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Cl"	34.969402
"30229"	569.151606	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M-2H+K"	36.948606
"467235"	835.253106	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M-2H+K"	36.948606
"841756"	303.050106	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-2H+K"	36.948606
"1563057"	303.050106	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+K-2H"	36.948606
"949846"	311.099694	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-H+HCOOH"	44.998194
"368061"	577.201201	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+HCOOH-H"	44.998201
"353038"	591.216851	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+Hac-H"	59.013851
"1498589"	325.115351	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Hac-H"	59.013851
"959689"	333.081651	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-H+NaCOOH"	66.980151
"112115"	301.070902	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+2Cl"	69.938804
"551674"	434.121652	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+2Cl"	69.938804
"1022664"	168.020152	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2Cl"	69.938804
"1245162"	345.020385	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Br"	78.918885
"1314175"	347.076372	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Cl+HCOOH"	80.974872
"1327297"	369.058329	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Cl+NaCOOH"	102.956829
"918356"	379.087086	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M-H+CF3COOH"	112.985586
"1297251"	415.063764	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Cl+CF3COOH"	148.962264
"1377602"	231.088824	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H-2H2O"	-35.012676
"1384890"	249.0988	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H-H2O"	-17.0027
"284941"	533.210276	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+H"	1.007276
"680643"	799.311776	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+H"	1.007276
"1352255"	267.108776	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H"	1.007276
"128422"	267.108776	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+2H"	2.014552
"569443"	400.159526	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+2H"	2.014552
"1038603"	134.058026	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2H"	2.014552
"205410"	178.408276	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+3H"	3.021828
"645706"	267.108776	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+3H"	3.021828
"1173314"	89.707776	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+3H"	3.021828
"438778"	550.236823	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+NH4"	18.033823
"798677"	816.338323	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+NH4"	18.033823
"1693191"	284.135323	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+NH4"	18.033823
"341468"	275.6220495	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+H+NH4"	19.041099
"732795"	408.6727995	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+H+NH4"	19.041099
"1492047"	142.5712995	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H+NH4"	19.041099
"403112"	555.192218	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+Na"	22.989218
"766294"	821.293718	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+Na"	22.989218
"1617069"	289.090718	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Na"	22.989218
"326617"	278.099747	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+H+Na"	23.996494
"722331"	411.150497	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+H+Na"	23.996494
"1476385"	145.048997	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H+Na"	23.996494
"1066103"	97.03509	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2H+Na"	25.00377
"1269968"	299.134986	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+CH3OH+H"	33.033486
"390729"	571.166158	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+K"	38.963158
"752453"	837.267658	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+K"	38.963158
"1546122"	305.064658	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+K"	38.963158
"303297"	286.086717	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+H+K"	39.970434
"693894"	419.137467	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+H+K"	39.970434
"1458290"	153.035967	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H+K"	39.970434
"245802"	574.236826	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+ACN+H"	42.033826
"1218514"	308.135326	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+ACN+H"	42.033826
"1202391"	154.571301	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+ACN+2H"	43.041102
"197447"	577.17416	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+2Na-H"	44.97116
"633727"	843.27566	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+2Na-H"	44.97116
"1136138"	311.07266	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2Na-H"	44.97116
"180524"	289.090718	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+2Na"	45.978436
"616803"	422.141468	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+2Na"	45.978436
"1118121"	156.039968	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2Na"	45.978436
"1403832"	104.362404	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H+2Na"	46.985712
"1435949"	313.114246	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H+HCOOH"	47.012746
"228925"	294.12374	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+3H2O+2H"	56.04448
"1515897"	327.16629	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+IsoProp+H"	61.06479
"413396"	297.077688	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+Na+K"	61.952376
"777676"	430.128438	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+Na+K"	61.952376
"1667448"	164.026938	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Na+K"	61.952376
"252141"	596.218768	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+ACN+Na"	64.015768
"1231048"	330.117268	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+ACN+Na"	64.015768
"1715923"	330.140793	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+NH4+HCOOH"	64.039293
"1186385"	111.689718	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+3Na"	68.967654
"1652996"	335.096188	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Na+HCOOH"	68.994688
"158035"	609.12204	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+2K-H"	76.91904
"602702"	875.22354	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+2K-H"	76.91904
"1093777"	343.02054	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2K-H"	76.91904
"148406"	305.064658	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"2M+2K"	77.926316
"587967"	438.115408	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"3M+2K"	77.926316
"1077950"	172.013908	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2K"	77.926316
"1106785"	345.035092	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2K+H"	78.933592
"1346451"	345.122707	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+DMSO+H"	79.021207
"1018995"	349.161876	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2ACN+H"	83.060376
"1535294"	350.155508	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+IsoProp+Na+H"	84.054008
"996276"	175.084576	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+2ACN+2H"	84.067652
"1589685"	351.070128	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+K+HCOOH"	84.968628
"1415346"	381.101638	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+H+CF3COOH"	115.000138
"1155476"	195.597851	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+3ACN+2H"	125.094202
"1697126"	398.128185	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+NH4+CF3COOH"	132.026685
"1646147"	403.08358	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+Na+CF3COOH"	136.98208
"1578517"	419.05752	"C02957"	"8-Oxodeoxycoformycin"	"C11H14N4O4"	"266.1015"	"M+K+CF3COOH"	152.95602
"815448"	243.0855	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M"	0
"986797"	224.06711	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-H2O-H"	-19.01839
"71757"	161.049724	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M-3H"	-3.021828
"512412"	242.078224	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M-3H"	-3.021828
"889120"	80.021224	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-3H"	-3.021828
"13166"	242.078224	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M-2H"	-2.014552
"452975"	363.620974	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M-2H"	-2.014552
"828710"	120.535474	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-2H"	-2.014552
"89065"	485.163724	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M-H"	-1.007276
"530079"	728.249224	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M-H"	-1.007276
"904604"	242.078224	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-H"	-1.007276
"58979"	502.190271	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M-2H+NH4"	16.019271
"498539"	745.275771	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M-2H+NH4"	16.019271
"874153"	259.104771	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-2H+NH4"	16.019271
"38773"	507.145666	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M-2H+Na"	20.974666
"482709"	750.231166	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M-2H+Na"	20.974666
"861247"	264.060166	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-2H+Na"	20.974666
"1631139"	264.060166	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Na-2H"	20.974666
"106580"	260.066563	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M-H+Cl"	33.962126
"542859"	381.609313	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M-H+Cl"	33.962126
"936373"	138.523813	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-H+Cl"	33.962126
"273840"	521.140402	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+Cl"	34.969402
"668450"	764.225902	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+Cl"	34.969402
"1280853"	278.054902	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Cl"	34.969402
"30582"	523.119606	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M-2H+K"	36.948606
"470263"	766.205106	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M-2H+K"	36.948606
"844058"	280.034106	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-2H+K"	36.948606
"1567546"	280.034106	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+K-2H"	36.948606
"952146"	288.083694	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-H+HCOOH"	44.998194
"369268"	531.169201	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+HCOOH-H"	44.998201
"353152"	545.184851	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+Hac-H"	59.013851
"1501618"	302.099351	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Hac-H"	59.013851
"965149"	310.065651	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-H+NaCOOH"	66.980151
"114782"	278.054902	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+2Cl"	69.938804
"555072"	399.597652	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+2Cl"	69.938804
"1027152"	156.512152	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2Cl"	69.938804
"1243567"	322.004385	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Br"	78.918885
"1311001"	324.060372	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Cl+HCOOH"	80.974872
"1327407"	346.042329	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Cl+NaCOOH"	102.956829
"920653"	356.071086	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M-H+CF3COOH"	112.985586
"1300643"	392.047764	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Cl+CF3COOH"	148.962264
"1379534"	208.072824	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H-2H2O"	-35.012676
"1389741"	226.0828	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H-H2O"	-17.0027
"285416"	487.178276	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+H"	1.007276
"684036"	730.263776	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+H"	1.007276
"1357467"	244.092776	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H"	1.007276
"128169"	244.092776	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+2H"	2.014552
"570647"	365.635526	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+2H"	2.014552
"1040538"	122.550026	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2H"	2.014552
"205887"	163.064276	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+3H"	3.021828
"646178"	244.092776	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+3H"	3.021828
"1174882"	82.035776	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+3H"	3.021828
"433780"	504.204823	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+NH4"	18.033823
"798058"	747.290323	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+NH4"	18.033823
"1688920"	261.119323	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+NH4"	18.033823
"340480"	252.6060495	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+H+NH4"	19.041099
"731811"	374.1487995	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+H+NH4"	19.041099
"1492484"	131.0632995	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H+NH4"	19.041099
"407841"	509.160218	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+Na"	22.989218
"768592"	752.245718	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+Na"	22.989218
"1618034"	266.074718	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Na"	22.989218
"329897"	255.083747	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+H+Na"	23.996494
"722683"	376.626497	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+H+Na"	23.996494
"1476669"	133.540997	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H+Na"	23.996494
"1067433"	89.36309	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2H+Na"	25.00377
"1272393"	276.118986	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+CH3OH+H"	33.033486
"388656"	525.134158	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+K"	38.963158
"748556"	768.219658	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+K"	38.963158
"1550609"	282.048658	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+K"	38.963158
"311064"	263.070717	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+H+K"	39.970434
"701299"	384.613467	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+H+K"	39.970434
"1456220"	141.527967	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H+K"	39.970434
"248834"	528.204826	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+ACN+H"	42.033826
"1217532"	285.119326	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+ACN+H"	42.033826
"1205786"	143.063301	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+ACN+2H"	43.041102
"198656"	531.14216	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+2Na-H"	44.97116
"641498"	774.22766	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+2Na-H"	44.97116
"1143906"	288.05666	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2Na-H"	44.97116
"182827"	266.074718	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+2Na"	45.978436
"623476"	387.617468	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+2Na"	45.978436
"1128075"	144.531968	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2Na"	45.978436
"1411965"	96.690404	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H+2Na"	46.985712
"1443353"	290.098246	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H+HCOOH"	47.012746
"230130"	271.10774	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+3H2O+2H"	56.04448
"1516002"	304.15029	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+IsoProp+H"	61.06479
"422253"	274.061688	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+Na+K"	61.952376
"782524"	395.604438	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+Na+K"	61.952376
"1669744"	152.518938	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Na+K"	61.952376
"257359"	550.186768	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+ACN+Na"	64.015768
"1232254"	307.101268	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+ACN+Na"	64.015768
"1723328"	307.124793	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+NH4+HCOOH"	64.039293
"1189777"	104.017718	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+3Na"	68.967654
"1658575"	312.080188	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Na+HCOOH"	68.994688
"159116"	563.09004	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+2K-H"	76.91904
"599894"	806.17554	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+2K-H"	76.91904
"1093884"	320.00454	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2K-H"	76.91904
"151795"	282.048658	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"2M+2K"	77.926316
"590265"	403.591408	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"3M+2K"	77.926316
"1072587"	160.505908	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2K"	77.926316
"1113823"	322.019092	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2K+H"	78.933592
"1349115"	322.106707	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+DMSO+H"	79.021207
"1013997"	326.145876	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2ACN+H"	83.060376
"1526407"	327.139508	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+IsoProp+Na+H"	84.054008
"1000764"	163.576576	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+2ACN+2H"	84.067652
"1597450"	328.054128	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+K+HCOOH"	84.968628
"1428216"	358.085638	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+H+CF3COOH"	115.000138
"1157773"	184.089851	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+3ACN+2H"	125.094202
"1706231"	375.112185	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+NH4+CF3COOH"	132.026685
"1645164"	380.06758	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+Na+CF3COOH"	136.98208
"1578631"	396.04152	"C02961"	"Cytosine arabinoside;Cytarabine;Cytosine-1-beta-D-arabinofuranoside"	"C9H13N3O5"	"243.0855"	"M+K+CF3COOH"	152.95602
"808997"	260.0297	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"982530"	241.01131	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"71867"	172.345857333333	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"515799"	259.022424	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"889228"	85.6692906666667	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"15380"	259.022424	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"453206"	389.037274	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"830276"	129.007574	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"89539"	519.052124	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"530189"	779.081824	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"906899"	259.022424	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"59089"	536.078671	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"499742"	796.108371	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"873169"	276.048971	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"35603"	541.034066	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"482819"	801.063766	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"863179"	281.004366	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1630156"	281.004366	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"107420"	277.010763	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"544062"	407.025613	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"935390"	146.995913	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"273949"	555.028802	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"669652"	815.058502	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1280963"	294.999102	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"30854"	557.008006	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"470737"	817.037706	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"847082"	296.978306	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1568749"	296.978306	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"953348"	305.027894	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"368284"	565.057601	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"356541"	579.073251	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1502092"	319.043551	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"968538"	327.009851	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"114892"	294.999102	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"554818"	425.013952	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1026898"	164.984252	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1243556"	338.948585	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1312204"	341.004572	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1327517"	362.986529	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"921856"	373.015286	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1301482"	408.991964	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1381103"	225.017024	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1394589"	243.027	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"285891"	521.066676	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"687426"	781.096376	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1357213"	261.036976	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"129372"	261.036976	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"571850"	391.051826	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040648"	131.022126	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"206362"	174.360409333333	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"645557"	261.036976	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1169518"	87.6838426666667	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"432792"	538.093223	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"797074"	798.122923	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1686843"	278.063523	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"339497"	269.5502495	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"730827"	399.5650995	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1491214"	139.5353995	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"405521"	543.048618	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"767609"	803.078318	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1615713"	283.018918	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"329029"	272.027947	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"721978"	402.042797	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1476606"	142.013097	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1067055"	95.0111566666667	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1271284"	293.063186	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"388764"	559.022558	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"743199"	819.052258	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1545251"	298.992858	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"303519"	280.014917	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"698129"	410.029767	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1457058"	150.000067	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"243841"	562.093226	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1218735"	302.063526	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1202615"	151.535401	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"197671"	565.03056	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"638691"	825.06026	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1142922"	305.00086	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"184755"	283.018918	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"621399"	413.033768	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1122717"	153.004068	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1412804"	102.338470666667	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1443463"	307.042446	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"229147"	288.05194	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1511739"	321.09449	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"421270"	291.005888	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"776801"	421.020738	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1666938"	160.991038	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"254188"	584.075168	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1229084"	324.045468	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1717971"	324.068993	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1180044"	109.665784666667	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1653218"	329.024388	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"160078"	596.97844	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"598665"	857.00814	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1090714"	336.94874	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"146438"	298.992858	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"590375"	429.007708	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1070875"	168.978008	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1114542"	338.963292	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1349956"	339.050907	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1017387"	343.090076	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1527127"	344.083708	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"997587"	172.048676	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1600840"	344.998328	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1427233"	375.029838	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1158976"	192.561951	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1706341"	392.056385	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1645274"	397.01178	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1578741"	412.98572	"C02962"	"D-Allose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"809107"	342.1162	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M"	0
"982640"	323.09781	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"74164"	227.070190666667	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"513723"	341.108924	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"889338"	113.031457333333	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"14477"	341.108924	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"452951"	512.167024	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"828200"	170.050824	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"90379"	683.225124	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"527019"	1025.341324	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"907008"	341.108924	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"59199"	700.251671	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"500218"	1042.367871	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"874372"	358.135471	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"35713"	705.207066	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"482565"	1047.323266	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"858547"	363.090866	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1626986"	363.090866	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"107165"	359.097263	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"543079"	530.155363	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"935500"	188.039163	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"274060"	719.201802	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"669764"	1061.318002	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1284354"	377.085602	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"31426"	721.181006	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"471100"	1063.297206	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"847680"	379.064806	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1571047"	379.064806	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"954552"	387.114394	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"372767"	729.230601	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"355557"	743.246251	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1502202"	401.130051	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"965368"	409.096351	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"115731"	377.085602	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"556021"	548.143702	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1029194"	206.027502	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1243667"	421.035085	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1314501"	423.091072	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1324709"	445.073029	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"922695"	455.101786	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1302321"	491.078464	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1380483"	307.103524	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1396158"	325.1135	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"285272"	685.239676	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"690454"	1027.355876	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1363520"	343.123476	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"129118"	343.123476	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"573053"	514.181576	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1040758"	172.065376	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"206835"	229.084742666667	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"646031"	343.123476	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1168535"	115.046009333333	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"431809"	702.266223	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"792809"	1044.382423	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1685859"	360.150023	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"338514"	351.6367495	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"733123"	522.6948495	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1489131"	180.5786495	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"407936"	707.221618	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"766624"	1049.337818	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1615817"	365.105418	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"329859"	354.114447	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"722376"	525.172547	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1476761"	183.056347	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1066436"	122.373323333333	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1271031"	375.149686	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"391792"	723.195558	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"752058"	1065.311758	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1548642"	381.079358	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"302900"	362.101417	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"701520"	533.159517	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1460084"	191.043317	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"248692"	726.266226	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1223218"	384.150026	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1204912"	192.578651	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"200696"	729.20356	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"640988"	1071.31976	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1141211"	387.08736	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"184137"	365.105418	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"618229"	536.163518	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1122827"	194.047318	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1410727"	129.700637333333	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1443573"	389.128946	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"229257"	370.13844	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1512942"	403.18099	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"422473"	373.092388	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"780190"	544.150488	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1671059"	202.034288	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"254298"	748.248168	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1228465"	406.131968	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1714801"	406.155493	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1181248"	137.027951333333	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1651140"	411.110888	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"158728"	761.15144	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"598774"	1103.26764	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1088636"	419.03524	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"146548"	381.079358	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"591578"	552.137458	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1071715"	210.021258	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1107113"	421.049792	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1339124"	421.137407	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1006922"	425.176576	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1526873"	426.170208	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"996604"	213.091926	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1600950"	427.084828	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1421141"	457.116338	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1159086"	233.605201	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1706450"	474.142885	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1645384"	479.09828	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1578851"	495.07222	"C02964"	"4-O-beta-D-Glucopyranosyl-D-mannose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"815415"	260.0297	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"979470"	241.01131	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"74275"	172.345857333333	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"514928"	259.022424	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"892731"	85.6692906666667	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"9118"	259.022424	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"450871"	389.037274	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"828671"	129.007574	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"88667"	519.052124	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"530783"	779.081824	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"907855"	259.022424	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"59313"	536.078671	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"495590"	796.108371	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"872298"	276.048971	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"35823"	541.034066	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"485234"	801.063766	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"862671"	281.004366	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1632567"	281.004366	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"107275"	277.010763	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"545740"	407.025613	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"934516"	146.995913	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"271615"	555.028802	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"666590"	815.058502	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1281182"	294.999102	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"29210"	557.008006	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"469864"	817.037706	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"846577"	296.978306	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1569698"	296.978306	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"956486"	305.027894	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"375064"	565.057601	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"353479"	579.073251	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1499031"	319.043551	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"961467"	327.009851	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"114749"	294.999102	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"558319"	425.013952	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1029305"	164.984252	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1249979"	338.948585	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1312425"	341.004572	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1327737"	362.986529	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"923169"	373.015286	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1303164"	408.991964	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1379867"	225.017024	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1395539"	243.027	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"290851"	521.066676	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"688378"	781.096376	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1363630"	261.036976	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"132512"	261.036976	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"573165"	391.051826	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040872"	131.022126	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"209865"	174.360409333333	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"644927"	261.036976	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1167555"	87.6838426666667	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"428639"	538.093223	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"798389"	798.122923	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1692532"	278.063523	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"338628"	269.5502495	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"734328"	399.5650995	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1488145"	139.5353995	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"406464"	543.048618	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"765641"	803.078318	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1614834"	283.018918	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"329369"	272.027947	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"721796"	402.042797	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1476343"	142.013097	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1067766"	95.0111566666667	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1270656"	293.063186	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"389350"	559.022558	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"751075"	819.052258	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1548752"	298.992858	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"301552"	280.014917	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"698351"	410.029767	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1458373"	150.000067	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"247708"	562.093226	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1222965"	302.063526	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1206845"	151.535401	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"201905"	565.03056	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"640370"	825.06026	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1142049"	305.00086	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"185708"	283.018918	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"626360"	413.033768	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1121844"	153.004068	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1408649"	102.338470666667	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1440765"	307.042446	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"227179"	288.05194	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1514145"	321.09449	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"414922"	291.005888	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"773368"	421.020738	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1668604"	160.991038	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"256590"	584.075168	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1233670"	324.045468	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1715998"	324.068993	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1179896"	109.665784666667	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1651977"	329.024388	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"160295"	596.97844	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"598883"	857.00814	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1086560"	336.94874	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"146658"	298.992858	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"591688"	429.007708	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1069638"	168.978008	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1104307"	338.963292	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1337167"	339.050907	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1008125"	343.090076	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1525278"	344.083708	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"996714"	172.048676	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1594498"	344.998328	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1421251"	375.029838	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1159196"	192.561951	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1703280"	392.056385	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1645494"	397.01178	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1578961"	412.98572	"C02965"	"D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"809328"	778.6029	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M"	0
"982862"	759.58451	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-H2O-H"	-19.01839
"74385"	518.061324	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M-3H"	-3.021828
"509572"	777.595624	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M-3H"	-3.021828
"889560"	258.527024	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-3H"	-3.021828
"13607"	777.595624	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M-2H"	-2.014552
"452803"	1166.897074	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M-2H"	-2.014552
"828420"	388.294174	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-2H"	-2.014552
"88777"	1556.198524	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M-H"	-1.007276
"531257"	2334.801424	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M-H"	-1.007276
"909303"	777.595624	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-H"	-1.007276
"56869"	1573.225071	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M-2H+NH4"	16.019271
"497886"	2351.827971	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M-2H+NH4"	16.019271
"872408"	794.622171	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-2H+NH4"	16.019271
"42498"	1578.180466	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M-2H+Na"	20.974666
"485830"	2356.783366	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M-2H+Na"	20.974666
"859135"	799.577566	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-2H+Na"	20.974666
"1629033"	799.577566	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Na-2H"	20.974666
"107749"	795.583963	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M-H+Cl"	33.962126
"542935"	1184.885413	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M-H+Cl"	33.962126
"937909"	406.282513	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-H+Cl"	33.962126
"275005"	1592.175202	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+Cl"	34.969402
"669983"	2370.778102	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+Cl"	34.969402
"1288347"	813.572302	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Cl"	34.969402
"29809"	1594.154406	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M-2H+K"	36.948606
"469610"	2372.757306	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M-2H+K"	36.948606
"846320"	815.551506	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-2H+K"	36.948606
"1566892"	815.551506	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+K-2H"	36.948606
"952586"	823.601094	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-H+HCOOH"	44.998194
"372622"	1602.204001	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+HCOOH-H"	44.998201
"355412"	1616.219651	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+Hac-H"	59.013851
"1496955"	837.616751	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Hac-H"	59.013851
"961940"	845.583051	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-H+NaCOOH"	66.980151
"113763"	813.572302	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+2Cl"	69.938804
"550771"	1202.873752	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+2Cl"	69.938804
"1029415"	424.270852	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2Cl"	69.938804
"1247900"	857.521785	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Br"	78.918885
"1313632"	859.577772	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Cl+HCOOH"	80.974872
"1328211"	881.559729	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Cl+NaCOOH"	102.956829
"925959"	891.588486	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M-H+CF3COOH"	112.985586
"1303520"	927.565164	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Cl+CF3COOH"	148.962264
"1379247"	743.590224	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H-2H2O"	-35.012676
"1390183"	761.6002	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H-H2O"	-17.0027
"290961"	1558.213076	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+H"	1.007276
"689944"	2336.815976	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+H"	1.007276
"1360827"	779.610176	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H"	1.007276
"130434"	779.610176	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+2H"	2.014552
"574368"	1168.911626	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+2H"	2.014552
"1044262"	390.308726	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2H"	2.014552
"205476"	520.075876	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+3H"	3.021828
"652819"	779.610176	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+3H"	3.021828
"1169851"	260.541576	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+3H"	3.021828
"429847"	1575.239623	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+NH4"	18.033823
"796309"	2353.842523	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+NH4"	18.033823
"1690456"	796.636723	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+NH4"	18.033823
"343111"	788.1234495	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+H+NH4"	19.041099
"730062"	1177.4248995	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+H+NH4"	19.041099
"1487165"	398.8219995	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H+NH4"	19.041099
"400378"	1580.195018	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+Na"	22.989218
"768788"	2358.797918	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+Na"	22.989218
"1617742"	801.592118	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Na"	22.989218
"328513"	790.601147	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+H+Na"	23.996494
"722512"	1179.902597	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+H+Na"	23.996494
"1476575"	401.299697	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H+Na"	23.996494
"1068116"	267.86889	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2H+Na"	25.00377
"1270887"	811.636386	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+CH3OH+H"	33.033486
"386908"	1596.168958	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+K"	38.963158
"745715"	2374.771858	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+K"	38.963158
"1551048"	817.566058	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+K"	38.963158
"301662"	798.588117	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+H+K"	39.970434
"697367"	1187.889567	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+H+K"	39.970434
"1459940"	409.286667	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H+K"	39.970434
"248911"	1599.239626	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+ACN+H"	42.033826
"1224534"	820.636726	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+ACN+H"	42.033826
"1207319"	410.822001	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+ACN+2H"	43.041102
"201651"	1602.17696	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+2Na-H"	44.97116
"641938"	2380.77986	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+2Na-H"	44.97116
"1144350"	823.57406	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2Na-H"	44.97116
"182169"	801.592118	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+2Na"	45.978436
"621729"	1190.893568	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+2Na"	45.978436
"1123046"	412.290668	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2Na"	45.978436
"1403288"	275.196204	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H+2Na"	46.985712
"1439781"	825.615646	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H+HCOOH"	47.012746
"226194"	806.62514	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+3H2O+2H"	56.04448
"1514255"	839.66769	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+IsoProp+H"	61.06479
"412118"	809.579088	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+Na+K"	61.952376
"771779"	1198.880538	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+Na+K"	61.952376
"1670183"	420.277638	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Na+K"	61.952376
"255971"	1621.221568	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+ACN+Na"	64.015768
"1229045"	842.618668	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+ACN+Na"	64.015768
"1717203"	842.642193	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+NH4+HCOOH"	64.039293
"1182559"	282.523518	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+3Na"	68.967654
"1653178"	847.597588	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Na+HCOOH"	68.994688
"160039"	1634.12484	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+2K-H"	76.91904
"599971"	2412.72774	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+2K-H"	76.91904
"1087764"	855.52194	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2K-H"	76.91904
"155154"	817.566058	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"2M+2K"	77.926316
"593984"	1206.867508	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"3M+2K"	77.926316
"1073029"	428.264608	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2K"	77.926316
"1102958"	857.536492	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2K+H"	78.933592
"1338245"	857.624107	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+DMSO+H"	79.021207
"1007263"	861.663276	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2ACN+H"	83.060376
"1527087"	862.656908	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+IsoProp+Na+H"	84.054008
"992449"	431.335276	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+2ACN+2H"	84.067652
"1596795"	863.571528	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+K+HCOOH"	84.968628
"1419174"	893.603038	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+H+CF3COOH"	115.000138
"1153837"	451.848551	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+3ACN+2H"	125.094202
"1710683"	910.629585	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+NH4+CF3COOH"	132.026685
"1648527"	915.58498	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+Na+CF3COOH"	136.98208
"1579072"	931.55892	"C02970"	"Decaprenol phosphate;mono-trans poly-cis-Decaprenyl phosphate;transoctacis-Decaprenyl phosphate"	"C50H83O4P"	"778.6029"	"M+K+CF3COOH"	152.95602
"803242"	158.0943	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M"	0
"981880"	139.07591	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-H2O-H"	-19.01839
"67934"	104.388924	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M-3H"	-3.021828
"506764"	157.087024	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M-3H"	-3.021828
"895309"	51.690824	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-3H"	-3.021828
"15140"	157.087024	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M-2H"	-2.014552
"454008"	236.134174	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M-2H"	-2.014552
"830352"	78.039874	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-2H"	-2.014552
"91804"	315.181324	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M-H"	-1.007276
"532824"	473.275624	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M-H"	-1.007276
"910144"	157.087024	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-H"	-1.007276
"58437"	332.207871	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M-2H+NH4"	16.019271
"494716"	490.302171	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M-2H+NH4"	16.019271
"874709"	174.113571	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-2H+NH4"	16.019271
"41517"	337.163266	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M-2H+Na"	20.974666
"482170"	495.257566	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M-2H+Na"	20.974666
"859973"	179.068966	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-2H+Na"	20.974666
"1633440"	179.068966	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Na-2H"	20.974666
"108588"	175.075363	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M-H+Cl"	33.962126
"547666"	254.122513	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M-H+Cl"	33.962126
"938020"	96.028213	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-H+Cl"	33.962126
"280590"	351.158002	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+Cl"	34.969402
"673010"	509.252302	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+Cl"	34.969402
"1287116"	193.063702	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Cl"	34.969402
"29917"	353.137206	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M-2H+K"	36.948606
"468624"	511.231506	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M-2H+K"	36.948606
"847158"	195.042906	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-2H+K"	36.948606
"1562627"	195.042906	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+K-2H"	36.948606
"951602"	203.092494	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-H+HCOOH"	44.998194
"373463"	361.186801	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+HCOOH-H"	44.998201
"357346"	375.202451	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+Hac-H"	59.013851
"1499251"	217.108151	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Hac-H"	59.013851
"964604"	225.074451	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-H+NaCOOH"	66.980151
"115696"	193.063702	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+2Cl"	69.938804
"554161"	272.110852	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+2Cl"	69.938804
"1028432"	114.016552	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2Cl"	69.938804
"1250200"	237.013185	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Br"	78.918885
"1312650"	239.069172	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Cl+HCOOH"	80.974872
"1334524"	261.051129	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Cl+NaCOOH"	102.956829
"926761"	271.079886	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M-H+CF3COOH"	112.985586
"1303832"	307.056564	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Cl+CF3COOH"	148.962264
"1379357"	123.081624	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H-2H2O"	-35.012676
"1391386"	141.0916	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H-H2O"	-17.0027
"291071"	317.195876	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+H"	1.007276
"686777"	475.290176	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+H"	1.007276
"1362031"	159.101576	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H"	1.007276
"132733"	159.101576	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+2H"	2.014552
"566946"	238.148726	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+2H"	2.014552
"1039997"	80.054426	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2H"	2.014552
"207899"	106.403476	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+3H"	3.021828
"649647"	159.101576	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+3H"	3.021828
"1171060"	53.705376	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+3H"	3.021828
"431050"	334.222423	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+NH4"	18.033823
"793139"	492.316723	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+NH4"	18.033823
"1693485"	176.128123	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+NH4"	18.033823
"338845"	167.6148495	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+H+NH4"	19.041099
"733455"	246.6619995	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+H+NH4"	19.041099
"1489099"	88.5676995	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H+NH4"	19.041099
"404499"	339.177818	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+Na"	22.989218
"768053"	497.272118	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+Na"	22.989218
"1615059"	181.083518	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Na"	22.989218
"326189"	170.092547	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+H+Na"	23.996494
"720796"	249.139697	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+H+Na"	23.996494
"1475710"	91.045397	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H+Na"	23.996494
"1066768"	61.03269	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2H+Na"	25.00377
"1270996"	191.127786	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+CH3OH+H"	33.033486
"389570"	355.151758	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+K"	38.963158
"745825"	513.246058	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+K"	38.963158
"1551158"	197.057458	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+K"	38.963158
"301771"	178.079517	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+H+K"	39.970434
"699665"	257.126667	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+H+K"	39.970434
"1459326"	99.032367	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H+K"	39.970434
"250804"	358.222426	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+ACN+H"	42.033826
"1224765"	200.128126	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+ACN+H"	42.033826
"1206700"	100.567701	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+ACN+2H"	43.041102
"202125"	361.15976	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+2Na-H"	44.97116
"642412"	519.25406	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+2Na-H"	44.97116
"1146283"	203.06546	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2Na-H"	44.97116
"182279"	181.083518	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+2Na"	45.978436
"620745"	260.130668	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+2Na"	45.978436
"1123156"	102.036368	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2Na"	45.978436
"1407775"	68.360004	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H+2Na"	46.985712
"1441350"	205.107046	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H+HCOOH"	47.012746
"226304"	186.11654	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+3H2O+2H"	56.04448
"1518379"	219.15909	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+IsoProp+H"	61.06479
"410774"	189.070488	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+Na+K"	61.952376
"776151"	268.117638	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+Na+K"	61.952376
"1670294"	110.023338	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Na+K"	61.952376
"255353"	380.204368	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+ACN+Na"	64.015768
"1228791"	222.110068	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+ACN+Na"	64.015768
"1717676"	222.133593	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+NH4+HCOOH"	64.039293
"1181576"	75.687318	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+3Na"	68.967654
"1652566"	227.088988	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Na+HCOOH"	68.994688
"159792"	393.10764	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+2K-H"	76.91904
"601175"	551.20194	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+2K-H"	76.91904
"1086170"	235.01334	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2K-H"	76.91904
"144691"	197.057458	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"2M+2K"	77.926316
"588628"	276.104608	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"3M+2K"	77.926316
"1071316"	118.010308	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2K"	77.926316
"1101850"	237.027892	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2K+H"	78.933592
"1339447"	237.115507	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+DMSO+H"	79.021207
"1007493"	241.154676	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2ACN+H"	83.060376
"1529392"	242.148308	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+IsoProp+Na+H"	84.054008
"993652"	121.080976	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+2ACN+2H"	84.067652
"1593624"	243.062928	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+K+HCOOH"	84.968628
"1419285"	273.094438	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+H+CF3COOH"	115.000138
"1162460"	141.594251	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+3ACN+2H"	125.094202
"1710071"	290.120985	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+NH4+CF3COOH"	132.026685
"1644626"	295.07638	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+Na+CF3COOH"	136.98208
"1582463"	311.05032	"C02975"	"Ethyl 3-oxohexanoate;Ethyl butyrylacetate"	"C8H14O3"	"158.0943"	"M+K+CF3COOH"	152.95602
"804080"	589.0822	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M"	0
"983083"	570.06381	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-H2O-H"	-19.01839
"66951"	391.714190666667	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M-3H"	-3.021828
"508697"	588.074924	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M-3H"	-3.021828
"893067"	195.353457333333	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-3H"	-3.021828
"14557"	588.074924	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M-2H"	-2.014552
"454116"	882.616024	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M-2H"	-2.014552
"831920"	293.533824	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-2H"	-2.014552
"92642"	1177.157124	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M-H"	-1.007276
"532201"	1766.239324	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M-H"	-1.007276
"910372"	588.074924	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-H"	-1.007276
"60369"	1194.183671	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+NH4"	16.019271
"501638"	1783.265871	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+NH4"	16.019271
"877371"	605.101471	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-2H+NH4"	16.019271
"46742"	1199.139066	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+Na"	20.974666
"486870"	1788.221266	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+Na"	20.974666
"863122"	610.056866	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-2H+Na"	20.974666
"1633873"	610.056866	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Na-2H"	20.974666
"108577"	606.063263	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M-H+Cl"	33.962126
"549681"	900.604363	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M-H+Cl"	33.962126
"938130"	311.522163	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-H+Cl"	33.962126
"281429"	1213.133802	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+Cl"	34.969402
"675032"	1802.216002	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+Cl"	34.969402
"1288164"	624.051602	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Cl"	34.969402
"30884"	1215.113006	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+K"	36.948606
"470929"	1804.195206	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+K"	36.948606
"847998"	626.030806	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-2H+K"	36.948606
"1561644"	626.030806	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+K-2H"	36.948606
"949525"	634.080394	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-H+HCOOH"	44.998194
"370656"	1223.162601	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+HCOOH-H"	44.998201
"357092"	1237.178251	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+Hac-H"	59.013851
"1503007"	648.096051	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Hac-H"	59.013851
"965807"	656.062351	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-H+NaCOOH"	66.980151
"114714"	624.051602	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+2Cl"	69.938804
"553907"	918.592702	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+2Cl"	69.938804
"1029635"	329.510502	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2Cl"	69.938804
"1250313"	668.001085	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Br"	78.918885
"1312760"	670.057072	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+HCOOH"	80.974872
"1329161"	692.039029	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+NaCOOH"	102.956829
"922411"	702.067786	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M-H+CF3COOH"	112.985586
"1299848"	738.044464	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+CF3COOH"	148.962264
"1378373"	554.069524	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H-2H2O"	-35.012676
"1390403"	572.0795	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H-H2O"	-17.0027
"291181"	1179.171676	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+H"	1.007276
"687981"	1768.253876	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+H"	1.007276
"1362141"	590.089476	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H"	1.007276
"132843"	590.089476	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+2H"	2.014552
"568028"	884.630576	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+2H"	2.014552
"1041200"	295.548376	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2H"	2.014552
"204351"	393.728742666667	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+3H"	3.021828
"644268"	590.089476	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+3H"	3.021828
"1164600"	197.368009333333	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+3H"	3.021828
"431527"	1196.198223	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+NH4"	18.033823
"797626"	1785.280423	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+NH4"	18.033823
"1694692"	607.116023	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+NH4"	18.033823
"341873"	598.6027495	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+H+NH4"	19.041099
"735023"	893.1438495	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+H+NH4"	19.041099
"1488480"	304.0616495	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H+NH4"	19.041099
"404609"	1201.153618	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+Na"	22.989218
"768526"	1790.235818	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+Na"	22.989218
"1616262"	612.071418	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Na"	22.989218
"327391"	601.080447	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+H+Na"	23.996494
"719815"	895.621547	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+H+Na"	23.996494
"1475821"	306.539347	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H+Na"	23.996494
"1065420"	204.695323333333	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2H+Na"	25.00377
"1269282"	622.115686	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+CH3OH+H"	33.033486
"388951"	1217.127558	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+K"	38.963158
"744842"	1806.209758	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+K"	38.963158
"1545801"	628.045358	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+K"	38.963158
"304068"	609.067417	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+H+K"	39.970434
"701961"	903.608517	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+H+K"	39.970434
"1461019"	314.526317	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H+K"	39.970434
"251324"	1220.198226	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+H"	42.033826
"1225118"	631.116026	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+H"	42.033826
"1208147"	316.061651	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+2H"	43.041102
"202964"	1223.13556	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na-H"	44.97116
"641428"	1812.21776	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na-H"	44.97116
"1145665"	634.05336	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2Na-H"	44.97116
"182389"	612.071418	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na"	45.978436
"623043"	906.612518	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na"	45.978436
"1121078"	317.530318	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2Na"	45.978436
"1403508"	212.022637333333	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H+2Na"	46.985712
"1438906"	636.094946	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H+HCOOH"	47.012746
"226414"	617.10444	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+3H2O+2H"	56.04448
"1516666"	650.14699	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+H"	61.06479
"411977"	620.058388	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+Na+K"	61.952376
"774074"	914.599488	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+Na+K"	61.952376
"1671498"	325.517288	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Na+K"	61.952376
"254370"	1242.180168	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+Na"	64.015768
"1227443"	653.097968	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+Na"	64.015768
"1716693"	653.121493	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+HCOOH"	64.039293
"1181685"	219.349951333333	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+3Na"	68.967654
"1652676"	658.076888	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Na+HCOOH"	68.994688
"160631"	1255.08344	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+2K-H"	76.91904
"601285"	1844.16564	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+2K-H"	76.91904
"1085795"	666.00124	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2K-H"	76.91904
"144801"	628.045358	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"2M+2K"	77.926316
"585458"	922.586458	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"3M+2K"	77.926316
"1069724"	333.504258	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2K"	77.926316
"1101472"	668.015792	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2K+H"	78.933592
"1337735"	668.103407	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+DMSO+H"	79.021207
"1006631"	672.142576	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+H"	83.060376
"1525490"	673.136208	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+Na+H"	84.054008
"992668"	336.574926	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+2H"	84.067652
"1587900"	674.050828	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+K+HCOOH"	84.968628
"1415384"	704.082338	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+H+CF3COOH"	115.000138
"1160626"	357.088201	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+3ACN+2H"	125.094202
"1706901"	721.108885	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+CF3COOH"	132.026685
"1646924"	726.06428	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+Na+CF3COOH"	136.98208
"1582573"	742.03822	"C02977"	"GDP-6-deoxy-D-talose;GDP-6-deoxy-alpha-D-talose"	"C16H25N5O15P2"	"589.0822"	"M+K+CF3COOH"	152.95602
"801578"	172.0137	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M"	0
"976631"	152.99531	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-H2O-H"	-19.01839
"63777"	113.668524	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M-3H"	-3.021828
"506621"	171.006424	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M-3H"	-3.021828
"895001"	56.330624	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-3H"	-3.021828
"13938"	171.006424	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M-2H"	-2.014552
"453497"	257.013274	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M-2H"	-2.014552
"830571"	84.999574	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-2H"	-2.014552
"92388"	343.020124	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M-H"	-1.007276
"530488"	515.033824	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M-H"	-1.007276
"910726"	171.006424	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-H"	-1.007276
"60479"	360.046671	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M-2H+NH4"	16.019271
"502798"	532.060371	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M-2H+NH4"	16.019271
"879063"	188.032971	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-2H+NH4"	16.019271
"46357"	365.002066	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M-2H+Na"	20.974666
"486890"	537.015766	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M-2H+Na"	20.974666
"858006"	192.988366	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-2H+Na"	20.974666
"1634122"	192.988366	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Na-2H"	20.974666
"109659"	188.994763	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M-H+Cl"	33.962126
"548736"	275.001613	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M-H+Cl"	33.962126
"942257"	102.987913	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-H+Cl"	33.962126
"281539"	378.996802	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+Cl"	34.969402
"674209"	551.010502	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+Cl"	34.969402
"1287462"	206.983102	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Cl"	34.969402
"30750"	380.976006	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M-2H+K"	36.948606
"470674"	552.989706	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M-2H+K"	36.948606
"845922"	208.962306	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-2H+K"	36.948606
"1565034"	208.962306	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+K-2H"	36.948606
"952915"	217.011894	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-H+HCOOH"	44.998194
"371130"	389.025601	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+HCOOH-H"	44.998201
"357202"	403.041251	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+Hac-H"	59.013851
"1504939"	231.027551	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Hac-H"	59.013851
"965917"	238.993851	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-H+NaCOOH"	66.980151
"112636"	206.983102	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+2Cl"	69.938804
"550737"	292.989952	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+2Cl"	69.938804
"1029745"	120.976252	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2Cl"	69.938804
"1250423"	250.932585	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Br"	78.918885
"1312870"	252.988572	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Cl+HCOOH"	80.974872
"1328178"	274.970529	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Cl+NaCOOH"	102.956829
"922521"	284.999286	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M-H+CF3COOH"	112.985586
"1299958"	320.975964	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Cl+CF3COOH"	148.962264
"1378482"	137.001024	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H-2H2O"	-35.012676
"1393791"	155.011	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H-H2O"	-17.0027
"291290"	345.034676	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+H"	1.007276
"686997"	517.048376	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+H"	1.007276
"1360064"	173.020976	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H"	1.007276
"132953"	173.020976	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+2H"	2.014552
"570324"	259.027826	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+2H"	2.014552
"1040217"	87.014126	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2H"	2.014552
"204829"	115.683076	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+3H"	3.021828
"644270"	173.020976	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+3H"	3.021828
"1164710"	58.345176	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+3H"	3.021828
"431637"	362.061223	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+NH4"	18.033823
"796643"	534.074923	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+NH4"	18.033823
"1692979"	190.047523	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+NH4"	18.033823
"340526"	181.5342495	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+H+NH4"	19.041099
"736226"	267.5410995	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+H+NH4"	19.041099
"1488590"	95.5273995	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H+NH4"	19.041099
"401800"	367.016618	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+Na"	22.989218
"767176"	539.030318	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+Na"	22.989218
"1615279"	195.002918	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Na"	22.989218
"325315"	184.011947	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+H+Na"	23.996494
"719925"	270.018797	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+H+Na"	23.996494
"1472650"	98.005097	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H+Na"	23.996494
"1066258"	65.67249	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2H+Na"	25.00377
"1268662"	205.047186	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+CH3OH+H"	33.033486
"389425"	382.990558	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+K"	38.963158
"746045"	555.004258	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+K"	38.963158
"1548098"	210.976858	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+K"	38.963158
"301992"	191.998917	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+H+K"	39.970434
"699885"	278.005767	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+H+K"	39.970434
"1461189"	105.992067	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H+K"	39.970434
"251382"	386.061226	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+ACN+H"	42.033826
"1221214"	214.047526	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+ACN+H"	42.033826
"1205461"	107.527401	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+ACN+2H"	43.041102
"198331"	388.99856	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+2Na-H"	44.97116
"642266"	561.01226	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+2Na-H"	44.97116
"1146017"	216.98486	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2Na-H"	44.97116
"180312"	195.002918	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+2Na"	45.978436
"619873"	281.009768	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+2Na"	45.978436
"1118150"	108.996068	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2Na"	45.978436
"1399487"	72.999804	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H+2Na"	46.985712
"1433549"	219.026446	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H+HCOOH"	47.012746
"220569"	200.03594	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+3H2O+2H"	56.04448
"1516776"	233.07849	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+IsoProp+H"	61.06479
"408558"	202.989888	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+Na+K"	61.952376
"773090"	288.996738	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+Na+K"	61.952376
"1669421"	116.983038	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Na+K"	61.952376
"255936"	408.043168	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+ACN+Na"	64.015768
"1226499"	236.029468	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+ACN+Na"	64.015768
"1714252"	236.052993	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+NH4+HCOOH"	64.039293
"1179970"	80.327118	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+3Na"	68.967654
"1652786"	241.008388	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Na+HCOOH"	68.994688
"160741"	420.94644	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+2K-H"	76.91904
"598841"	592.96014	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+2K-H"	76.91904
"1085537"	248.93274	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2K-H"	76.91904
"143447"	210.976858	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"2M+2K"	77.926316
"585568"	296.983708	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"3M+2K"	77.926316
"1068984"	124.970008	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2K"	77.926316
"1100732"	250.947292	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2K+H"	78.933592
"1337479"	251.034907	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+DMSO+H"	79.021207
"1006741"	255.074076	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2ACN+H"	83.060376
"1524865"	256.067708	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+IsoProp+Na+H"	84.054008
"991678"	128.040676	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+2ACN+2H"	84.067652
"1587275"	256.982328	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+K+HCOOH"	84.968628
"1415130"	287.013838	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+H+CF3COOH"	115.000138
"1161829"	148.553951	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+3ACN+2H"	125.094202
"1709198"	304.040385	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+NH4+CF3COOH"	132.026685
"1644848"	308.99578	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+Na+CF3COOH"	136.98208
"1582683"	324.96972	"C02979"	"Glycerol 2-phosphate;beta-Glycerophosphoric acid"	"C3H9O6P"	"172.0137"	"M+K+CF3COOH"	152.95602
"802235"	224.0473	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M"	0
"976741"	205.02891	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-H2O-H"	-19.01839
"66073"	148.357590666667	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M-3H"	-3.021828
"507824"	223.040024	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M-3H"	-3.021828
"894990"	73.6751573333333	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-3H"	-3.021828
"12954"	223.040024	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M-2H"	-2.014552
"451420"	335.063674	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M-2H"	-2.014552
"830440"	111.016374	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-2H"	-2.014552
"93228"	447.087324	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M-H"	-1.007276
"530598"	671.134624	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M-H"	-1.007276
"911246"	223.040024	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-H"	-1.007276
"60835"	464.113871	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M-2H+NH4"	16.019271
"502182"	688.161171	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M-2H+NH4"	16.019271
"875038"	240.066571	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-2H+NH4"	16.019271
"44642"	469.069266	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M-2H+Na"	20.974666
"483593"	693.116566	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M-2H+Na"	20.974666
"858116"	245.021966	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-2H+Na"	20.974666
"1632998"	245.021966	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Na-2H"	20.974666
"109693"	241.028363	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M-H+Cl"	33.962126
"547392"	353.052013	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M-H+Cl"	33.962126
"942244"	129.004713	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-H+Cl"	33.962126
"279827"	483.064002	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+Cl"	34.969402
"674929"	707.111302	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+Cl"	34.969402
"1288100"	259.016702	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Cl"	34.969402
"30861"	485.043206	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M-2H+K"	36.948606
"471028"	709.090506	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M-2H+K"	36.948606
"846033"	260.995906	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-2H+K"	36.948606
"1567331"	260.995906	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+K-2H"	36.948606
"955578"	269.045494	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-H+HCOOH"	44.998194
"372335"	493.092801	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+HCOOH-H"	44.998201
"358406"	507.108451	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+Hac-H"	59.013851
"1502498"	283.061151	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Hac-H"	59.013851
"962748"	291.027451	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-H+NaCOOH"	66.980151
"113110"	259.016702	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+2Cl"	69.938804
"551940"	371.040352	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+2Cl"	69.938804
"1027669"	146.993052	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2Cl"	69.938804
"1253813"	302.966185	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Br"	78.918885
"1311887"	305.022172	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Cl+HCOOH"	80.974872
"1326102"	327.004129	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Cl+NaCOOH"	102.956829
"922996"	337.032886	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M-H+CF3COOH"	112.985586
"1298245"	373.009564	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Cl+CF3COOH"	148.962264
"1380414"	189.034624	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H-2H2O"	-35.012676
"1393901"	207.0446	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H-H2O"	-17.0027
"291400"	449.101876	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+H"	1.007276
"684916"	673.149176	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+H"	1.007276
"1355797"	225.054576	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H"	1.007276
"126253"	225.054576	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+2H"	2.014552
"570434"	337.078226	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+2H"	2.014552
"1040327"	113.030926	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2H"	2.014552
"204495"	150.372142666667	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+3H"	3.021828
"644417"	225.054576	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+3H"	3.021828
"1164211"	75.6897093333333	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+3H"	3.021828
"430654"	466.128423	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+NH4"	18.033823
"797846"	690.175723	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+NH4"	18.033823
"1687613"	242.081123	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+NH4"	18.033823
"341000"	233.5678495	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+H+NH4"	19.041099
"735243"	345.5914995	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+H+NH4"	19.041099
"1487603"	121.5441995	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H+NH4"	19.041099
"403003"	471.083818	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+Na"	22.989218
"765826"	695.131118	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+Na"	22.989218
"1615753"	247.036518	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Na"	22.989218
"326518"	236.045547	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+H+Na"	23.996494
"717849"	348.069197	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+H+Na"	23.996494
"1471667"	124.021897	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H+Na"	23.996494
"1066002"	83.0170233333333	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2H+Na"	25.00377
"1268773"	257.080786	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+CH3OH+H"	33.033486
"390628"	487.057758	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+K"	38.963158
"742875"	711.105058	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+K"	38.963158
"1548208"	263.010458	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+K"	38.963158
"303195"	244.032517	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+H+K"	39.970434
"701088"	356.056167	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+H+K"	39.970434
"1452723"	132.008867	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H+K"	39.970434
"250930"	490.128426	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+ACN+H"	42.033826
"1223148"	266.081126	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+ACN+H"	42.033826
"1205935"	133.544201	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+ACN+2H"	43.041102
"196253"	493.06576	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+2Na-H"	44.97116
"640553"	717.11306	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+2Na-H"	44.97116
"1142965"	269.01846	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2Na-H"	44.97116
"182609"	247.036518	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+2Na"	45.978436
"621806"	359.060168	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+2Na"	45.978436
"1117167"	135.012868	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2Na"	45.978436
"1399109"	90.3443373333333	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H+2Na"	46.985712
"1433659"	271.060046	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H+HCOOH"	47.012746
"223354"	252.06954	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+3H2O+2H"	56.04448
"1512878"	285.11209	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+IsoProp+H"	61.06479
"408541"	255.023488	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+Na+K"	61.952376
"773200"	367.047138	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+Na+K"	61.952376
"1669530"	142.999838	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Na+K"	61.952376
"257141"	512.110368	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+ACN+Na"	64.015768
"1229849"	288.063068	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+ACN+Na"	64.015768
"1716550"	288.086593	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+NH4+HCOOH"	64.039293
"1181904"	97.6716513333333	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+3Na"	68.967654
"1653989"	293.041988	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Na+HCOOH"	68.994688
"161944"	525.01364	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+2K-H"	76.91904
"601503"	749.06094	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+2K-H"	76.91904
"1086744"	300.96634	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2K-H"	76.91904
"145745"	263.010458	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"2M+2K"	77.926316
"587864"	375.034108	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"3M+2K"	77.926316
"1069460"	150.986808	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2K"	77.926316
"1101575"	302.980892	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2K+H"	78.933592
"1337596"	303.068507	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+DMSO+H"	79.021207
"1006002"	307.107676	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2ACN+H"	83.060376
"1525099"	308.101308	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+IsoProp+Na+H"	84.054008
"990575"	154.057476	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+2ACN+2H"	84.067652
"1587308"	309.015928	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+K+HCOOH"	84.968628
"1414201"	339.047438	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+H+CF3COOH"	115.000138
"1159753"	174.570751	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+3ACN+2H"	125.094202
"1708215"	356.073985	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+NH4+CF3COOH"	132.026685
"1646051"	361.02938	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+Na+CF3COOH"	136.98208
"1582793"	377.00332	"C02980"	"Hydroxyanthraquinone;1-Hydroxyanthraquinone"	"C14H8O3"	"224.0473"	"M+K+CF3COOH"	152.95602
"803318"	328.2977	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M"	0
"976851"	309.27931	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-H2O-H"	-19.01839
"65090"	217.857857333333	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M-3H"	-3.021828
"507934"	327.290424	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M-3H"	-3.021828
"894489"	108.425290666667	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-3H"	-3.021828
"14158"	327.290424	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M-2H"	-2.014552
"454810"	491.439274	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M-2H"	-2.014552
"831884"	163.141574	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-2H"	-2.014552
"93217"	655.588124	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M-H"	-1.007276
"531436"	983.885824	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M-H"	-1.007276
"910829"	327.290424	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-H"	-1.007276
"61430"	672.614671	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M-2H+NH4"	16.019271
"500993"	1000.912371	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M-2H+NH4"	16.019271
"875147"	344.316971	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-2H+NH4"	16.019271
"45237"	677.570066	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M-2H+Na"	20.974666
"483702"	1005.867766	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M-2H+Na"	20.974666
"861506"	349.272366	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-2H+Na"	20.974666
"1629946"	349.272366	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Na-2H"	20.974666
"109035"	345.278763	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M-H+Cl"	33.962126
"546044"	509.427613	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M-H+Cl"	33.962126
"940530"	181.129913	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-H+Cl"	33.962126
"280301"	691.564802	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+Cl"	34.969402
"672973"	1019.862502	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+Cl"	34.969402
"1286221"	363.267102	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Cl"	34.969402
"30359"	693.544006	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M-2H+K"	36.948606
"470162"	1021.841706	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M-2H+K"	36.948606
"846871"	365.246306	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-2H+K"	36.948606
"1569993"	365.246306	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+K-2H"	36.948606
"956052"	373.295894	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-H+HCOOH"	44.998194
"375968"	701.593601	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+HCOOH-H"	44.998201
"358516"	715.609251	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+Hac-H"	59.013851
"1500785"	387.311551	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Hac-H"	59.013851
"966138"	395.277851	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-H+NaCOOH"	66.980151
"113222"	363.267102	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+2Cl"	69.938804
"552050"	527.415952	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+2Cl"	69.938804
"1027778"	199.118252	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2Cl"	69.938804
"1253559"	407.216585	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Br"	78.918885
"1313090"	409.272572	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Cl+HCOOH"	80.974872
"1326211"	431.254529	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Cl+NaCOOH"	102.956829
"924927"	441.283286	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M-H+CF3COOH"	112.985586
"1301633"	477.259964	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Cl+CF3COOH"	148.962264
"1380888"	293.285024	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H-2H2O"	-35.012676
"1390731"	311.295	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H-H2O"	-17.0027
"291510"	657.602676	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+H"	1.007276
"685026"	985.900376	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+H"	1.007276
"1355907"	329.304976	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H"	1.007276
"126972"	329.304976	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+2H"	2.014552
"568358"	493.453826	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+2H"	2.014552
"1041530"	165.156126	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2H"	2.014552
"205659"	219.872409333333	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+3H"	3.021828
"644369"	329.304976	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+3H"	3.021828
"1164079"	110.439842666667	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+3H"	3.021828
"430764"	674.629223	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+NH4"	18.033823
"797956"	1002.926923	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+NH4"	18.033823
"1686631"	346.331523	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+NH4"	18.033823
"339285"	337.8182495	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+H+NH4"	19.041099
"734987"	501.9670995	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+H+NH4"	19.041099
"1487713"	173.6693995	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H+NH4"	19.041099
"403113"	679.584618	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+Na"	22.989218
"765203"	1007.882318	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+Na"	22.989218
"1616227"	351.286918	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Na"	22.989218
"326628"	340.295947	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+H+Na"	23.996494
"718689"	504.444797	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+H+Na"	23.996494
"1472507"	176.147097	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H+Na"	23.996494
"1067934"	117.767156666667	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2H+Na"	25.00377
"1272288"	361.331186	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+CH3OH+H"	33.033486
"390738"	695.558558	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+K"	38.963158
"746265"	1023.856258	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+K"	38.963158
"1547224"	367.260858	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+K"	38.963158
"303305"	348.282917	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+H+K"	39.970434
"699012"	512.431767	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+H+K"	39.970434
"1452833"	184.134067	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H+K"	39.970434
"241434"	698.629226	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+ACN+H"	42.033826
"1221070"	370.331526	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+ACN+H"	42.033826
"1203493"	185.669401	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+ACN+2H"	43.041102
"190044"	701.56656	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+2Na-H"	44.97116
"637017"	1029.86426	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+2Na-H"	44.97116
"1140159"	373.26886	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2Na-H"	44.97116
"175064"	351.286918	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+2Na"	45.978436
"622280"	515.435768	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+2Na"	45.978436
"1118128"	187.138068	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2Na"	45.978436
"1401651"	125.094470666667	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H+2Na"	46.985712
"1432676"	375.310446	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H+HCOOH"	47.012746
"223464"	356.31994	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+3H2O+2H"	56.04448
"1512624"	389.36249	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+IsoProp+H"	61.06479
"409260"	359.273888	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+Na+K"	61.952376
"772217"	523.422738	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+Na+K"	61.952376
"1672920"	195.125038	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Na+K"	61.952376
"256159"	720.611168	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+ACN+Na"	64.015768
"1227774"	392.313468	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+ACN+Na"	64.015768
"1718847"	392.336993	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+NH4+HCOOH"	64.039293
"1182014"	132.421784666667	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+3Na"	68.967654
"1654099"	397.292388	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Na+HCOOH"	68.994688
"164241"	733.51444	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+2K-H"	76.91904
"601614"	1061.81214	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+2K-H"	76.91904
"1090500"	405.21674	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2K-H"	76.91904
"143669"	367.260858	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"2M+2K"	77.926316
"591254"	531.409708	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"3M+2K"	77.926316
"1069690"	203.112008	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2K"	77.926316
"1101440"	407.231292	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2K+H"	78.933592
"1337706"	407.318907	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+DMSO+H"	79.021207
"1005992"	411.358076	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2ACN+H"	83.060376
"1525330"	412.351708	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+IsoProp+Na+H"	84.054008
"991415"	206.182676	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+2ACN+2H"	84.067652
"1588596"	413.266328	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+K+HCOOH"	84.968628
"1421910"	443.297838	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+H+CF3COOH"	115.000138
"1161686"	226.695951	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+3ACN+2H"	125.094202
"1706139"	460.324385	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+NH4+CF3COOH"	132.026685
"1647984"	465.27978	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+Na+CF3COOH"	136.98208
"1582903"	481.25372	"C02982"	"L-2-Hydroxyphytanate"	"C20H40O3"	"328.2977"	"M+K+CF3COOH"	152.95602
"801631"	218.1055	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M"	0
"976961"	199.08711	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-H2O-H"	-19.01839
"63026"	144.396390666667	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M-3H"	-3.021828
"506951"	217.098224	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M-3H"	-3.021828
"895047"	71.6945573333333	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-3H"	-3.021828
"14633"	217.098224	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M-2H"	-2.014552
"453828"	326.150974	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M-2H"	-2.014552
"830538"	108.045474	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-2H"	-2.014552
"93935"	435.203724	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M-H"	-1.007276
"530818"	653.309224	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M-H"	-1.007276
"911061"	217.098224	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-H"	-1.007276
"61661"	452.230271	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M-2H+NH4"	16.019271
"501468"	670.335771	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M-2H+NH4"	16.019271
"878173"	234.124771	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-2H+NH4"	16.019271
"43158"	457.185666	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M-2H+Na"	20.974666
"483812"	675.291166	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M-2H+Na"	20.974666
"858335"	239.080166	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-2H+Na"	20.974666
"1623494"	239.080166	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Na-2H"	20.974666
"109753"	235.086563	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M-H+Cl"	33.962126
"547613"	344.139313	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M-H+Cl"	33.962126
"940764"	126.033813	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-H+Cl"	33.962126
"281383"	471.180402	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+Cl"	34.969402
"673932"	689.285902	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+Cl"	34.969402
"1284145"	253.074902	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Cl"	34.969402
"29618"	473.159606	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M-2H+K"	36.948606
"470519"	691.265106	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M-2H+K"	36.948606
"845889"	255.054106	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-2H+K"	36.948606
"1570107"	255.054106	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+K-2H"	36.948606
"956162"	263.103694	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-H+HCOOH"	44.998194
"375350"	481.209201	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+HCOOH-H"	44.998201
"358626"	495.224851	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+Hac-H"	59.013851
"1500895"	277.119351	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Hac-H"	59.013851
"965155"	285.085651	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-H+NaCOOH"	66.980151
"114062"	253.074902	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+2Cl"	69.938804
"552160"	362.127652	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+2Cl"	69.938804
"1026795"	144.022152	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2Cl"	69.938804
"1256586"	297.024385	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Br"	78.918885
"1311014"	299.080372	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Cl+HCOOH"	80.974872
"1326321"	321.062329	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Cl+NaCOOH"	102.956829
"925037"	331.091086	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M-H+CF3COOH"	112.985586
"1303086"	367.067764	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Cl+CF3COOH"	148.962264
"1378813"	183.092824	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H-2H2O"	-35.012676
"1394121"	201.1028	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H-H2O"	-17.0027
"291620"	437.218276	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+H"	1.007276
"681856"	655.323776	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+H"	1.007276
"1359297"	219.112776	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H"	1.007276
"129999"	219.112776	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+2H"	2.014552
"571750"	328.165526	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+2H"	2.014552
"1041641"	110.060026	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2H"	2.014552
"205167"	146.410942666667	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+3H"	3.021828
"648008"	219.112776	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+3H"	3.021828
"1166135"	73.7091093333333	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+3H"	3.021828
"437071"	454.244823	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+NH4"	18.033823
"797702"	672.350323	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+NH4"	18.033823
"1685648"	236.139323	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+NH4"	18.033823
"338302"	227.6260495	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+H+NH4"	19.041099
"735097"	336.6787995	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+H+NH4"	19.041099
"1487823"	118.5732995	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H+NH4"	19.041099
"402130"	459.200218	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+Na"	22.989218
"768231"	677.305718	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+Na"	22.989218
"1617309"	241.094718	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Na"	22.989218
"327467"	230.103747	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+H+Na"	23.996494
"720136"	339.156497	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+H+Na"	23.996494
"1474439"	121.050997	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H+Na"	23.996494
"1067925"	81.0364233333333	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2H+Na"	25.00377
"1271179"	251.138986	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+CH3OH+H"	33.033486
"391943"	475.174158	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+K"	38.963158
"746375"	693.279658	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+K"	38.963158
"1549520"	257.068658	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+K"	38.963158
"304508"	238.090717	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+H+K"	39.970434
"699122"	347.143467	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+H+K"	39.970434
"1452943"	129.037967	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H+K"	39.970434
"238264"	478.244826	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+ACN+H"	42.033826
"1222273"	260.139326	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+ACN+H"	42.033826
"1201416"	130.573301	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+ACN+2H"	43.041102
"190276"	481.18216	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+2Na-H"	44.97116
"633847"	699.28766	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+2Na-H"	44.97116
"1140633"	263.07666	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2Na-H"	44.97116
"178453"	241.094718	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+2Na"	45.978436
"624577"	350.147468	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+2Na"	45.978436
"1121520"	132.041968	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2Na"	45.978436
"1406135"	88.3637373333333	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H+2Na"	46.985712
"1434972"	265.118246	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H+HCOOH"	47.012746
"224667"	246.12774	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+3H2O+2H"	56.04448
"1513098"	279.17029	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+IsoProp+H"	61.06479
"411325"	249.081688	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+Na+K"	61.952376
"771355"	358.134438	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+Na+K"	61.952376
"1669750"	140.028938	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Na+K"	61.952376
"255176"	500.226768	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+ACN+Na"	64.015768
"1226791"	282.121268	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+ACN+Na"	64.015768
"1716770"	282.144793	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+NH4+HCOOH"	64.039293
"1179938"	95.6910513333333	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+3Na"	68.967654
"1654209"	287.100188	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Na+HCOOH"	68.994688
"164351"	513.13004	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+2K-H"	76.91904
"599537"	731.23554	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+2K-H"	76.91904
"1088423"	295.02454	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2K-H"	76.91904
"144144"	257.068658	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"2M+2K"	77.926316
"589177"	366.121408	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"3M+2K"	77.926316
"1069553"	148.015908	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2K"	77.926316
"1101427"	297.039092	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2K+H"	78.933592
"1336964"	297.126707	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+DMSO+H"	79.021207
"1006710"	301.165876	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2ACN+H"	83.060376
"1525437"	302.159508	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+IsoProp+Na+H"	84.054008
"992372"	151.086576	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+2ACN+2H"	84.067652
"1588706"	303.074128	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+K+HCOOH"	84.968628
"1422020"	333.105638	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+H+CF3COOH"	115.000138
"1159606"	171.599851	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+3ACN+2H"	125.094202
"1708435"	350.132185	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+NH4+CF3COOH"	132.026685
"1648823"	355.08758	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+Na+CF3COOH"	136.98208
"1579733"	371.06152	"C02983"	"Abrine;L-Abrine;N-Methyl-L-tryptophane"	"C12H14N2O2"	"218.1055"	"M+K+CF3COOH"	152.95602
"809007"	244.0348	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M"	0
"975370"	225.01641	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H2O-H"	-19.01839
"75157"	161.682590666667	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-3H"	-3.021828
"516908"	243.027524	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-3H"	-3.021828
"895370"	80.3376573333333	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-3H"	-3.021828
"15445"	243.027524	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H"	-2.014552
"455408"	365.044924	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H"	-2.014552
"832354"	121.010124	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H"	-2.014552
"93808"	487.062324	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-H"	-1.007276
"533933"	731.097124	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-H"	-1.007276
"910315"	243.027524	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H"	-1.007276
"60192"	504.088871	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+NH4"	16.019271
"499752"	748.123671	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+NH4"	16.019271
"877190"	260.054071	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+NH4"	16.019271
"42177"	509.044266	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+Na"	20.974666
"480645"	753.079066	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+Na"	20.974666
"858446"	265.009466	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+Na"	20.974666
"1633574"	265.009466	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na-2H"	20.974666
"106708"	261.015863	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-H+Cl"	33.962126
"547363"	383.033263	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-H+Cl"	33.962126
"939418"	138.998463	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+Cl"	33.962126
"280650"	523.039002	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Cl"	34.969402
"674043"	767.073802	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Cl"	34.969402
"1287534"	279.004202	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl"	34.969402
"28997"	525.018206	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+K"	36.948606
"471111"	769.053006	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+K"	36.948606
"847822"	280.983406	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+K"	36.948606
"1566567"	280.983406	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K-2H"	36.948606
"953355"	289.032994	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+HCOOH"	44.998194
"371567"	533.067801	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+HCOOH-H"	44.998201
"355452"	547.083451	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Hac-H"	59.013851
"1499910"	303.048651	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Hac-H"	59.013851
"968547"	311.014951	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+NaCOOH"	66.980151
"111620"	279.004202	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Cl"	69.938804
"552640"	401.021602	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Cl"	69.938804
"1037053"	156.986802	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Cl"	69.938804
"1256977"	322.953685	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Br"	78.918885
"1315499"	325.009672	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+HCOOH"	80.974872
"1335390"	346.991629	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+NaCOOH"	102.956829
"927030"	357.020386	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M-H+CF3COOH"	112.985586
"1302951"	392.997064	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+CF3COOH"	148.962264
"1378561"	209.022124	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H-2H2O"	-35.012676
"1394233"	227.0321	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H-H2O"	-17.0027
"293919"	489.076876	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H"	1.007276
"680873"	733.111676	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H"	1.007276
"1358314"	245.042076	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H"	1.007276
"136675"	245.042076	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2H"	2.014552
"568944"	367.059476	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2H"	2.014552
"1041750"	123.024676	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2H"	2.014552
"209654"	163.697142666667	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H"	3.021828
"649217"	245.042076	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+3H"	3.021828
"1175004"	82.3522093333333	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3H"	3.021828
"432443"	506.103423	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+NH4"	18.033823
"797083"	750.138223	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+NH4"	18.033823
"1687947"	262.068623	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4"	18.033823
"337321"	253.5553495	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+NH4"	19.041099
"731927"	375.5727495	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+NH4"	19.041099
"1487940"	131.5379495	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+NH4"	19.041099
"404799"	511.058818	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na"	22.989218
"767990"	755.093618	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na"	22.989218
"1612443"	267.024018	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na"	22.989218
"324666"	256.033047	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+Na"	23.996494
"718179"	378.050447	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+Na"	23.996494
"1473090"	134.015647	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+Na"	23.996494
"1063055"	89.6795233333333	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2H+Na"	25.00377
"1267645"	277.068286	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+CH3OH+H"	33.033486
"392376"	527.032758	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+K"	38.963158
"752683"	771.067558	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+K"	38.963158
"1546353"	282.997958	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K"	38.963158
"310095"	264.020017	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+K"	39.970434
"699233"	386.037417	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+K"	39.970434
"1453053"	142.002617	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+K"	39.970434
"247492"	530.103426	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+H"	42.033826
"1222386"	286.068626	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+H"	42.033826
"1205900"	143.537951	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+2H"	43.041102
"198772"	533.04076	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na-H"	44.97116
"637238"	777.07556	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na-H"	44.97116
"1137461"	289.00596	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na-H"	44.97116
"180749"	267.024018	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na"	45.978436
"622497"	389.041418	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na"	45.978436
"1124907"	145.006618	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na"	45.978436
"1402970"	97.0068373333333	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+2Na"	46.985712
"1433989"	291.047546	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+HCOOH"	47.012746
"226970"	272.05704	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H2O+2H"	56.04448
"1519406"	305.09959	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+H"	61.06479
"414725"	275.010988	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na+K"	61.952376
"775719"	397.028388	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na+K"	61.952376
"1667065"	152.993588	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+K"	61.952376
"253218"	552.085368	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+Na"	64.015768
"1227992"	308.050568	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+Na"	64.015768
"1716885"	308.074093	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+HCOOH"	64.039293
"1191722"	104.334151333333	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3Na"	68.967654
"1663072"	313.029488	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+HCOOH"	68.994688
"167742"	564.98864	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K-H"	76.91904
"607303"	809.02344	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K-H"	76.91904
"1089628"	320.95384	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K-H"	76.91904
"151916"	282.997958	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K"	77.926316
"589289"	405.015358	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K"	77.926316
"1070274"	160.980558	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K"	77.926316
"1102024"	322.968392	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2K+H"	78.933592
"1338287"	323.056007	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+DMSO+H"	79.021207
"1006332"	327.095176	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+H"	83.060376
"1525308"	328.088808	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+Na+H"	84.054008
"994312"	164.051226	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+2H"	84.067652
"1592096"	329.003428	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K+HCOOH"	84.968628
"1426511"	359.034938	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+H+CF3COOH"	115.000138
"1157902"	184.564501	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+3ACN+2H"	125.094202
"1708546"	376.061485	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+CF3COOH"	132.026685
"1648566"	381.01688	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+CF3COOH"	136.98208
"1575469"	396.99082	"C02985"	"L-Fucose 1-phosphate;6-Deoxy-L-galactose 1-phosphate;beta-L-Fucose 1-phosphate"	"C6H13O8P"	"244.0348"	"M+K+CF3COOH"	152.95602
"815684"	165.046	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M"	0
"980468"	146.02761	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-H2O-H"	-19.01839
"75269"	109.023390666667	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M-3H"	-3.021828
"512643"	164.038724	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M-3H"	-3.021828
"893361"	54.0080573333333	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-3H"	-3.021828
"7926"	164.038724	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H"	-2.014552
"450767"	246.561724	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H"	-2.014552
"832464"	81.515724	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-2H"	-2.014552
"93791"	329.084724	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M-H"	-1.007276
"532135"	494.130724	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M-H"	-1.007276
"903739"	164.038724	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-H"	-1.007276
"57024"	346.111271	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+NH4"	16.019271
"500958"	511.157271	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+NH4"	16.019271
"875479"	181.065271	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+NH4"	16.019271
"33660"	351.066666	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+Na"	20.974666
"485865"	516.112666	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+Na"	20.974666
"857468"	186.020666	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+Na"	20.974666
"1633934"	186.020666	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Na-2H"	20.974666
"109373"	182.027063	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M-H+Cl"	33.962126
"549945"	264.550063	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M-H+Cl"	33.962126
"941715"	99.504063	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-H+Cl"	33.962126
"281855"	365.061402	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+Cl"	34.969402
"674275"	530.107402	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+Cl"	34.969402
"1288397"	200.015402	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl"	34.969402
"31053"	367.040606	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+K"	36.948606
"471359"	532.086606	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+K"	36.948606
"848132"	201.994606	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+K"	36.948606
"1570935"	201.994606	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+K-2H"	36.948606
"952372"	210.044194	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-H+HCOOH"	44.998194
"371680"	375.090201	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+HCOOH-H"	44.998201
"356657"	389.105851	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+Hac-H"	59.013851
"1503303"	224.059851	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Hac-H"	59.013851
"968657"	232.026151	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-H+NaCOOH"	66.980151
"121942"	200.015402	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Cl"	69.938804
"565449"	282.538402	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Cl"	69.938804
"1036974"	117.492402	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2Cl"	69.938804
"1256991"	243.964885	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Br"	78.918885
"1319629"	246.020872	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+HCOOH"	80.974872
"1335061"	268.002829	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+NaCOOH"	102.956829
"926957"	278.031586	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M-H+CF3COOH"	112.985586
"1304078"	314.008264	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+CF3COOH"	148.962264
"1380859"	130.033324	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H-2H2O"	-35.012676
"1397507"	148.0433	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H-H2O"	-17.0027
"298473"	331.099276	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+H"	1.007276
"690598"	496.145276	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+H"	1.007276
"1366657"	166.053276	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H"	1.007276
"141408"	166.053276	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+2H"	2.014552
"580363"	248.576276	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+2H"	2.014552
"1050621"	83.530276	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2H"	2.014552
"218521"	111.037942666667	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+3H"	3.021828
"656988"	166.053276	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+3H"	3.021828
"1174019"	56.0226093333333	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+3H"	3.021828
"436197"	348.125823	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+NH4"	18.033823
"796102"	513.171823	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+NH4"	18.033823
"1689150"	183.079823	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4"	18.033823
"342907"	174.5665495	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+NH4"	19.041099
"733142"	257.0895495	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+NH4"	19.041099
"1489153"	92.0435495	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H+NH4"	19.041099
"403457"	353.081218	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+Na"	22.989218
"765546"	518.127218	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+Na"	22.989218
"1615831"	188.035218	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Na"	22.989218
"326958"	177.044247	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+Na"	23.996494
"718287"	259.567247	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+Na"	23.996494
"1474293"	94.521247	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H+Na"	23.996494
"1062070"	63.3499233333333	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2H+Na"	25.00377
"1268490"	198.079486	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+CH3OH+H"	33.033486
"389254"	369.055158	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+K"	38.963158
"752074"	534.101158	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+K"	38.963158
"1554492"	204.009158	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+K"	38.963158
"313124"	185.031217	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+K"	39.970434
"706523"	267.554217	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+K"	39.970434
"1461299"	102.508217	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H+K"	39.970434
"251407"	372.125826	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+ACN+H"	42.033826
"1225581"	207.079826	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+H"	42.033826
"1209848"	104.043551	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+2H"	43.041102
"201682"	375.06316	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Na-H"	44.97116
"640631"	540.10916	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Na-H"	44.97116
"1141950"	210.01716	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2Na-H"	44.97116
"187310"	188.035218	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Na"	45.978436
"620429"	270.558218	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Na"	45.978436
"1119560"	105.512218	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2Na"	45.978436
"1405274"	70.6772373333333	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H+2Na"	46.985712
"1443956"	212.058746	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H+HCOOH"	47.012746
"229276"	193.06824	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+3H2O+2H"	56.04448
"1520618"	226.11079	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+IsoProp+H"	61.06479
"413744"	196.022188	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+Na+K"	61.952376
"779112"	278.545188	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+Na+K"	61.952376
"1679821"	113.499188	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+K"	61.952376
"266226"	394.107768	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+ACN+Na"	64.015768
"1240511"	229.061768	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+Na"	64.015768
"1727579"	229.085293	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4+HCOOH"	64.039293
"1191474"	78.0045513333333	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+3Na"	68.967654
"1663188"	234.040688	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+HCOOH"	68.994688
"172376"	407.01104	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+2K-H"	76.91904
"611074"	572.05704	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+2K-H"	76.91904
"1098380"	241.96504	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2K-H"	76.91904
"154588"	204.009158	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"2M+2K"	77.926316
"595485"	286.532158	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"3M+2K"	77.926316
"1080116"	121.486158	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2K"	77.926316
"1112597"	243.979592	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2K+H"	78.933592
"1348744"	244.067207	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+DMSO+H"	79.021207
"1016419"	248.106376	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2ACN+H"	83.060376
"1536741"	249.100008	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+IsoProp+Na+H"	84.054008
"999904"	124.556826	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+2ACN+2H"	84.067652
"1601941"	250.014628	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+K+HCOOH"	84.968628
"1429543"	280.046138	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+H+CF3COOH"	115.000138
"1160193"	145.070101	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+3ACN+2H"	125.094202
"1710839"	297.072685	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4+CF3COOH"	132.026685
"1644302"	302.02808	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+CF3COOH"	136.98208
"1574489"	318.00202	"C02989"	"L-Methionine S-oxide"	"C5H11NO3S"	"165.046"	"M+K+CF3COOH"	152.95602
"810325"	399.3349	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M"	0
"974864"	380.31651	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-H2O-H"	-19.01839
"63351"	265.215990666667	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M-3H"	-3.021828
"506191"	398.327624	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M-3H"	-3.021828
"886180"	132.104357333333	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-3H"	-3.021828
"8035"	398.327624	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M-2H"	-2.014552
"448690"	597.995074	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M-2H"	-2.014552
"829777"	198.660174	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-2H"	-2.014552
"91954"	797.662524	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M-H"	-1.007276
"532246"	1196.997424	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M-H"	-1.007276
"902757"	398.327624	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-H"	-1.007276
"58227"	814.689071	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M-2H+NH4"	16.019271
"501436"	1214.023971	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M-2H+NH4"	16.019271
"875589"	415.354171	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-2H+NH4"	16.019271
"33649"	819.644466	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M-2H+Na"	20.974666
"485612"	1218.979366	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M-2H+Na"	20.974666
"856485"	420.309566	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-2H+Na"	20.974666
"1634002"	420.309566	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Na-2H"	20.974666
"108994"	416.315963	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M-H+Cl"	33.962126
"549487"	615.983413	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M-H+Cl"	33.962126
"941946"	216.648513	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-H+Cl"	33.962126
"282733"	833.639202	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+Cl"	34.969402
"675616"	1232.974102	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+Cl"	34.969402
"1288168"	434.304302	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Cl"	34.969402
"30311"	835.618406	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M-2H+K"	36.948606
"470969"	1234.953306	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M-2H+K"	36.948606
"844391"	436.283506	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-2H+K"	36.948606
"1570067"	436.283506	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+K-2H"	36.948606
"955761"	444.333094	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-H+HCOOH"	44.998194
"372883"	843.668001	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+HCOOH-H"	44.998201
"352392"	857.683651	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+Hac-H"	59.013851
"1496851"	458.348751	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Hac-H"	59.013851
"961110"	466.315051	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-H+NaCOOH"	66.980151
"122052"	434.304302	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+2Cl"	69.938804
"565384"	633.971752	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+2Cl"	69.938804
"1037020"	234.636852	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2Cl"	69.938804
"1256437"	478.253785	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Br"	78.918885
"1319250"	480.309772	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Cl+HCOOH"	80.974872
"1335408"	502.291729	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Cl+NaCOOH"	102.956829
"926101"	512.320486	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M-H+CF3COOH"	112.985586
"1300984"	548.297164	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Cl+CF3COOH"	148.962264
"1376958"	364.322224	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H-2H2O"	-35.012676
"1384614"	382.3322	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H-H2O"	-17.0027
"288674"	799.677076	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+H"	1.007276
"681096"	1199.011976	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+H"	1.007276
"1357441"	400.342176	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H"	1.007276
"128874"	400.342176	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+2H"	2.014552
"575368"	600.009626	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+2H"	2.014552
"1046355"	200.674726	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2H"	2.014552
"214256"	267.230542666667	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+3H"	3.021828
"657098"	400.342176	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+3H"	3.021828
"1174129"	134.118909333333	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+3H"	3.021828
"434120"	816.703623	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+NH4"	18.033823
"797305"	1216.038523	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+NH4"	18.033823
"1689260"	417.368723	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+NH4"	18.033823
"340831"	408.8554495	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+H+NH4"	19.041099
"731064"	608.5228995	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+H+NH4"	19.041099
"1488897"	209.1879995	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H+NH4"	19.041099
"399194"	821.659018	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+Na"	22.989218
"762376"	1220.993918	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+Na"	22.989218
"1612661"	422.324118	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Na"	22.989218
"322695"	411.333147	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+H+Na"	23.996494
"717302"	611.000597	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+H+Na"	23.996494
"1474401"	211.665697	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H+Na"	23.996494
"1062178"	141.446223333333	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2H+Na"	25.00377
"1266414"	432.368386	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+CH3OH+H"	33.033486
"385355"	837.632958	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+K"	38.963158
"748902"	1236.967858	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+K"	38.963158
"1549863"	438.298058	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+K"	38.963158
"310317"	419.320117	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+H+K"	39.970434
"705656"	618.987567	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+H+K"	39.970434
"1458382"	219.652667	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H+K"	39.970434
"248807"	840.703626	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+ACN+H"	42.033826
"1225445"	441.368726	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+ACN+H"	42.033826
"1208315"	221.188001	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+ACN+2H"	43.041102
"202277"	843.64096	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+2Na-H"	44.97116
"640377"	1242.97586	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+2Na-H"	44.97116
"1140966"	444.30606	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2Na-H"	44.97116
"179879"	422.324118	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+2Na"	45.978436
"620537"	621.991568	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+2Na"	45.978436
"1117119"	222.656668	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2Na"	45.978436
"1405384"	148.773537333333	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H+2Na"	46.985712
"1437501"	446.347646	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H+HCOOH"	47.012746
"227197"	427.35714	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+3H2O+2H"	56.04448
"1517448"	460.39969	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+IsoProp+H"	61.06479
"417134"	430.311088	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+Na+K"	61.952376
"778129"	629.978538	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+Na+K"	61.952376
"1679929"	230.643638	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Na+K"	61.952376
"266091"	862.685568	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+ACN+Na"	64.015768
"1239529"	463.350668	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+ACN+Na"	64.015768
"1726592"	463.374193	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+NH4+HCOOH"	64.039293
"1192313"	156.100851333333	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+3Na"	68.967654
"1662568"	468.329588	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Na+HCOOH"	68.994688
"172839"	875.58884	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+2K-H"	76.91904
"611913"	1274.92374	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+2K-H"	76.91904
"1096422"	476.25394	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2K-H"	76.91904
"151048"	438.298058	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"2M+2K"	77.926316
"590975"	637.965508	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"3M+2K"	77.926316
"1079494"	238.630608	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2K"	77.926316
"1111614"	478.268492	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2K+H"	78.933592
"1346907"	478.356107	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+DMSO+H"	79.021207
"1016529"	482.395276	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2ACN+H"	83.060376
"1539764"	483.388908	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+IsoProp+Na+H"	84.054008
"1002199"	241.701276	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+2ACN+2H"	84.067652
"1602294"	484.303528	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+K+HCOOH"	84.968628
"1427830"	514.335038	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+H+CF3COOH"	115.000138
"1160303"	262.214551	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+3ACN+2H"	125.094202
"1709855"	531.361585	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+NH4+CF3COOH"	132.026685
"1644412"	536.31698	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+Na+CF3COOH"	136.98208
"1573506"	552.29092	"C02990"	"L-Palmitoylcarnitine"	"C23H45NO4"	"399.3349"	"M+K+CF3COOH"	152.95602
"810435"	162.0528	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M"	0
"974854"	143.03441	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"64553"	107.027924	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"505206"	161.045524	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"886290"	53.010324	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"8145"	161.045524	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"448800"	242.071924	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"830738"	80.019124	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"93648"	323.098324	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"530533"	485.151124	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"905053"	161.045524	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"61984"	340.124871	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"499846"	502.177671	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"878375"	178.072071	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"33513"	345.080266	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"483169"	507.133066	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"855502"	183.027466	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1633543"	183.027466	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"108129"	179.033863	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"544411"	260.060263	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"939748"	98.007463	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"281099"	359.075002	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"674245"	521.127802	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1287505"	197.022202	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"29326"	361.054206	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"470712"	523.107006	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"847783"	199.001406	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1565801"	199.001406	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"951497"	207.050994	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"368620"	369.103801	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"350315"	383.119451	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1500241"	221.066651	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"960124"	229.032951	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"122527"	197.022202	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"565213"	278.048602	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1036480"	115.995802	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1255938"	240.971685	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1317294"	243.027672	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1335154"	265.009629	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"925846"	275.038386	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1301094"	311.015064	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1377068"	127.040124	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1389097"	145.0501	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"289877"	325.112876	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"681206"	487.165676	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1357551"	163.060076	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"130806"	163.060076	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"576571"	244.086476	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1048652"	82.033676	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"215095"	109.042476	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"655021"	163.060076	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1170958"	55.024876	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"432042"	342.139423	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"791944"	504.192223	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1685721"	180.086623	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"337648"	171.5733495	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"733354"	252.5997495	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1488269"	90.5469495	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"404408"	347.094818	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"764673"	509.147618	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1612770"	185.042018	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"322807"	174.051047	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"718505"	255.077447	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1475240"	93.024647	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1061195"	62.35219	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1268344"	195.086286	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"385828"	363.068758	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"751928"	525.121558	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1551795"	201.015958	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"312495"	182.038017	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"705038"	263.064417	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1460073"	101.011617	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"249890"	366.139426	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1225278"	204.086626	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1208790"	102.546951	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"202994"	369.07676	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"639758"	531.12956	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1139983"	207.02396	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"178896"	185.042018	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"620647"	266.068418	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1118687"	104.015618	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1406587"	69.679504	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1437611"	209.065546	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"228400"	190.07504	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1517558"	223.11759	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"417244"	193.028988	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"778239"	274.055388	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1679312"	112.002588	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"265839"	388.121368	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1240005"	226.068568	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1725974"	226.092093	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1190966"	77.006818	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1660492"	231.047488	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"172222"	401.02464	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"610928"	563.07744	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1096168"	238.97184	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"150430"	201.015958	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"588532"	282.042358	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1074501"	119.989558	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1112454"	240.986392	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1347012"	241.074007	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1015546"	245.113176	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1539808"	246.106808	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"1003161"	123.060226	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1602685"	247.021428	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1428305"	277.052938	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1160413"	143.573501	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1709965"	294.079485	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1643429"	299.03488	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1573616"	315.00882	"C02991"	"L-Rhamnono-14-lactone;L-Rhamno-14-lactone"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"810546"	337.175	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M"	0
"982986"	318.15661	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-H2O-H"	-19.01839
"70133"	223.776057333333	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M-3H"	-3.021828
"516254"	336.167724	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M-3H"	-3.021828
"887495"	111.384390666667	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-3H"	-3.021828
"9350"	336.167724	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M-2H"	-2.014552
"448910"	504.755224	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M-2H"	-2.014552
"827809"	167.580224	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-2H"	-2.014552
"91085"	673.342724	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M-H"	-1.007276
"526270"	1010.517724	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M-H"	-1.007276
"905166"	336.167724	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-H"	-1.007276
"60632"	690.369271	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M-2H+NH4"	16.019271
"492540"	1027.544271	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M-2H+NH4"	16.019271
"866088"	353.194271	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-2H+NH4"	16.019271
"45300"	695.324666	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M-2H+Na"	20.974666
"482188"	1032.499666	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M-2H+Na"	20.974666
"861083"	358.149666	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-2H+Na"	20.974666
"1629521"	358.149666	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Na-2H"	20.974666
"106053"	354.156063	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M-H+Cl"	33.962126
"547922"	522.743563	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M-H+Cl"	33.962126
"940462"	185.568563	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-H+Cl"	33.962126
"281937"	709.319402	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+Cl"	34.969402
"674968"	1046.494402	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+Cl"	34.969402
"1286514"	372.144402	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Cl"	34.969402
"30287"	711.298606	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M-2H+K"	36.948606
"468631"	1048.473606	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M-2H+K"	36.948606
"844247"	374.123606	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-2H+K"	36.948606
"1564819"	374.123606	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+K-2H"	36.948606
"945048"	382.173194	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-H+HCOOH"	44.998194
"366544"	719.348201	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+HCOOH-H"	44.998201
"355894"	733.363851	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+Hac-H"	59.013851
"1499258"	396.188851	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Hac-H"	59.013851
"967541"	404.155151	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-H+NaCOOH"	66.980151
"118999"	372.144402	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+2Cl"	69.938804
"561839"	540.731902	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+2Cl"	69.938804
"1029544"	203.556902	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2Cl"	69.938804
"1254225"	416.093885	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Br"	78.918885
"1314852"	418.149872	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Cl+HCOOH"	80.974872
"1333806"	440.131829	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Cl+NaCOOH"	102.956829
"921217"	450.160586	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M-H+CF3COOH"	112.985586
"1295737"	486.137264	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Cl+CF3COOH"	148.962264
"1378275"	302.162324	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H-2H2O"	-35.012676
"1391396"	320.1723	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H-H2O"	-17.0027
"288896"	675.357276	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+H"	1.007276
"681315"	1012.532276	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+H"	1.007276
"1362041"	338.182276	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H"	1.007276
"132748"	338.182276	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+2H"	2.014552
"572306"	506.769776	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+2H"	2.014552
"1046574"	169.594776	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2H"	2.014552
"212288"	225.790609333333	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+3H"	3.021828
"646379"	338.182276	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+3H"	3.021828
"1168880"	113.398942666667	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+3H"	3.021828
"432153"	692.383823	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+NH4"	18.033823
"788773"	1029.558823	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+NH4"	18.033823
"1689487"	355.208823	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+NH4"	18.033823
"343239"	346.6955495	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+H+NH4"	19.041099
"735655"	515.2830495	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+H+NH4"	19.041099
"1489481"	178.1080495	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H+NH4"	19.041099
"405247"	697.339218	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+Na"	22.989218
"765876"	1034.514218	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+Na"	22.989218
"1613975"	360.164218	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Na"	22.989218
"325832"	349.173247	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+H+Na"	23.996494
"716430"	517.760747	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+H+Na"	23.996494
"1474261"	180.585747	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H+Na"	23.996494
"1062398"	120.726256666667	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2H+Na"	25.00377
"1267362"	370.208486	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+CH3OH+H"	33.033486
"386668"	713.313158	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+K"	38.963158
"751311"	1050.488158	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+K"	38.963158
"1551541"	376.138158	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+K"	38.963158
"311634"	357.160217	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+H+K"	39.970434
"706000"	525.747717	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+H+K"	39.970434
"1458240"	188.572717	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H+K"	39.970434
"247206"	716.383826	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+ACN+H"	42.033826
"1225018"	379.208826	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+ACN+H"	42.033826
"1208902"	190.108051	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+ACN+2H"	43.041102
"202619"	719.32116	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+2Na-H"	44.97116
"639868"	1056.49616	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+2Na-H"	44.97116
"1143374"	382.14616	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2Na-H"	44.97116
"177912"	360.164218	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+2Na"	45.978436
"619665"	528.751718	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+2Na"	45.978436
"1118796"	191.576718	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2Na"	45.978436
"1409980"	128.053570666667	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H+2Na"	46.985712
"1439907"	384.187746	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H+HCOOH"	47.012746
"229605"	365.19724	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+3H2O+2H"	56.04448
"1513293"	398.23979	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+IsoProp+H"	61.06479
"422099"	368.151188	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+Na+K"	61.952376
"781631"	536.738688	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+Na+K"	61.952376
"1675777"	199.563688	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Na+K"	61.952376
"267003"	738.365768	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+ACN+Na"	64.015768
"1239751"	401.190768	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+ACN+Na"	64.015768
"1724626"	401.214293	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+NH4+HCOOH"	64.039293
"1189982"	135.380884666667	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+3Na"	68.967654
"1665475"	406.169688	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Na+HCOOH"	68.994688
"169292"	751.26904	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+2K-H"	76.91904
"611038"	1088.44404	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+2K-H"	76.91904
"1092269"	414.09404	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2K-H"	76.91904
"147626"	376.138158	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"2M+2K"	77.926316
"590467"	544.725658	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"3M+2K"	77.926316
"1078625"	207.550658	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2K"	77.926316
"1109284"	416.108592	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2K+H"	78.933592
"1349195"	416.196207	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+DMSO+H"	79.021207
"1021018"	420.235376	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2ACN+H"	83.060376
"1537071"	421.229008	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+IsoProp+Na+H"	84.054008
"1004978"	210.621326	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+2ACN+2H"	84.067652
"1601662"	422.143628	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+K+HCOOH"	84.968628
"1428779"	452.175138	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+H+CF3COOH"	115.000138
"1159432"	231.134601	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+3ACN+2H"	125.094202
"1707889"	469.201685	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+NH4+CF3COOH"	132.026685
"1645726"	474.15708	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+Na+CF3COOH"	136.98208
"1573726"	490.13102	"C02993"	"Kyotorphin;L-Tyrosyl-L-arginine"	"C15H23N5O4"	"337.175"	"M+K+CF3COOH"	152.95602
"807374"	148.0372	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M"	0
"989294"	129.01881	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"77779"	97.6841906666667	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"517094"	147.029924	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"895602"	48.3384573333333	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"12377"	147.029924	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"455219"	221.048524	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"832051"	73.011324	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"93748"	295.067124	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"532822"	443.104324	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"905278"	147.029924	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"57465"	312.093671	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"492653"	460.130871	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"867173"	164.056471	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"39453"	317.049066	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"486186"	465.086266	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"862288"	169.011866	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1633646"	169.011866	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"109081"	165.018263	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"548396"	239.036863	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"941547"	90.999663	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"281803"	331.043802	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"674958"	479.081002	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1285895"	183.006602	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"29547"	333.023006	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"470323"	481.060206	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"840346"	184.985806	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1563832"	184.985806	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"952810"	193.035394	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"367745"	341.072601	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"356002"	355.088251	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1503743"	207.051051	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"971290"	215.017351	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"120202"	183.006602	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"561949"	257.025202	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1036580"	108.988002	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1255430"	226.956085	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1316057"	229.012072	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1334279"	250.994029	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"924971"	261.022786	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1301314"	296.999464	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1378384"	113.024524	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1389319"	131.0345	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"290099"	297.081676	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"681426"	445.118876	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1363976"	149.044476	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"136138"	149.044476	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"574605"	223.063076	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1047784"	75.025876	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"214593"	99.6987426666667	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"655247"	149.044476	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1172279"	50.3530093333333	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"431178"	314.108223	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"793266"	462.145423	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1690684"	166.071023	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"334594"	157.5577495	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"736858"	231.5763495	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1488491"	83.5391495	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"403891"	319.063618	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"768899"	467.100818	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1616997"	171.026418	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"325582"	160.035447	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"722334"	234.054047	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1474735"	86.016847	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1065424"	57.6803233333333	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1268929"	181.070686	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"392329"	335.037558	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"753736"	483.074758	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1554697"	187.000358	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"312845"	168.022417	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"705508"	242.041017	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1459816"	94.003817	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"251295"	338.108226	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1225465"	190.071026	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1209872"	95.539151	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"204266"	341.04556	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"644072"	489.08276	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1145916"	193.00836	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"178026"	171.026418	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"623056"	245.045018	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1127658"	97.007818	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1411922"	65.0076373333333	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1443670"	195.049946	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"233362"	176.05944	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1518872"	209.10199	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"420390"	179.013388	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"783566"	253.031988	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1679539"	104.994788	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"263145"	360.090168	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1237676"	212.052968	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1724736"	212.076493	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1188636"	72.3349513333333	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1663640"	217.031888	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"172202"	372.99344	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"612371"	521.03064	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1097608"	224.95624	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"155397"	187.000358	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"594713"	261.018958	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1077642"	112.981758	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1108665"	226.970792	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1349062"	227.058407	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1020517"	231.097576	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1536085"	232.091208	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"1002166"	116.052426	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1599585"	233.005828	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1427066"	263.037338	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1156262"	136.565701	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1707999"	280.063885	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1642556"	285.01928	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1573836"	300.99322	"C02994"	"L-Xylono-14-lactone"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"807484"	422.0825	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M"	0
"974822"	403.06411	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"67073"	280.381057333333	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"507726"	421.075224	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"884434"	139.686890666667	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"1914"	421.075224	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"446943"	632.116474	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"826936"	210.033974	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"90211"	843.157724	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"526490"	1265.240224	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"909761"	421.075224	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"59760"	860.184271	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"493855"	1282.266771	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"866552"	438.101771	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"39563"	865.139666	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"486538"	1287.222166	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"863984"	443.057166	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1634140"	443.057166	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"109802"	439.063563	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"549768"	650.104813	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"942590"	228.022313	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"282034"	879.134402	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"675145"	1301.216902	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1285641"	457.051902	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"27471"	881.113606	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"469217"	1303.196106	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"840456"	459.031106	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1563942"	459.031106	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"954013"	467.080694	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"367855"	889.163201	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"356112"	903.178851	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1503853"	481.096351	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"971400"	489.062651	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"121405"	457.051902	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"562059"	668.093152	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1035961"	246.010652	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1254447"	501.001385	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1315074"	503.057372	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1333296"	525.039329	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"925081"	535.068086	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1301424"	571.044764	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1374119"	387.069824	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1388336"	405.0798	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"289116"	845.172276	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"682629"	1267.254776	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1354602"	423.089776	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"130770"	423.089776	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"574715"	634.131026	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1046798"	212.048526	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"209236"	282.395609333333	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"652804"	423.089776	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1166192"	141.701442666667	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"431286"	862.198823	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"791552"	1284.281323	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1687515"	440.116323	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"333973"	431.6030495	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"731501"	642.6442995	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1486414"	220.5617995	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"402907"	867.154218	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"768278"	1289.236718	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1614189"	445.071718	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"325326"	434.080747	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"720660"	645.121997	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1475573"	223.039497	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1064805"	149.028756666667	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1265393"	455.115986	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"392726"	883.128158	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"752263"	1305.210658	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1552494"	461.045658	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"313316"	442.067717	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"706348"	653.108967	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1460816"	231.026467	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"251244"	886.198826	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1225374"	464.116326	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1209366"	232.561801	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"203856"	889.13616	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"643985"	1311.21866	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1144688"	467.05366	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"178135"	445.071718	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"617699"	656.112968	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1127768"	234.030468	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1412758"	156.356070666667	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1441225"	469.095246	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"234200"	450.10474	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1517889"	483.14729	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"419769"	453.058688	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"784647"	664.099938	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1675997"	242.017438	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"264711"	908.180768	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1238516"	486.098268	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1725938"	486.121793	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1190567"	163.683384666667	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1662290"	491.077188	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"169515"	921.08404	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"607982"	1343.16654	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1095773"	499.00154	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"152590"	461.045658	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"593242"	672.086908	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1078844"	250.004408	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1109868"	501.016092	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1348443"	501.103707	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1020257"	505.142876	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1535099"	506.136508	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"998267"	253.075076	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1593863"	507.051128	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1422802"	537.082638	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1153091"	273.588351	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1704829"	554.109185	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1636106"	559.06458	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1573946"	575.03852	"C02995"	"Maltose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"807594"	316.9986	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M"	0
"977848"	297.98021	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-H2O-H"	-19.01839
"70463"	210.325124	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M-3H"	-3.021828
"508929"	315.991324	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M-3H"	-3.021828
"884544"	104.658924	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-3H"	-3.021828
"4210"	315.991324	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M-2H"	-2.014552
"447053"	474.490624	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M-2H"	-2.014552
"825953"	157.492024	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-2H"	-2.014552
"90321"	632.989924	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M-H"	-1.007276
"526600"	949.988524	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M-H"	-1.007276
"907685"	315.991324	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-H"	-1.007276
"58776"	650.016471	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M-2H+NH4"	16.019271
"495059"	967.015071	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M-2H+NH4"	16.019271
"865689"	333.017871	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-2H+NH4"	16.019271
"38580"	654.971866	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M-2H+Na"	20.974666
"485311"	971.970466	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M-2H+Na"	20.974666
"864053"	337.973266	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-2H+Na"	20.974666
"1633987"	337.973266	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Na-2H"	20.974666
"109297"	333.979663	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M-H+Cl"	33.962126
"549470"	492.478963	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M-H+Cl"	33.962126
"942375"	175.480363	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-H+Cl"	33.962126
"281658"	668.966602	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+Cl"	34.969402
"672619"	985.965202	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+Cl"	34.969402
"1283928"	351.968002	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Cl"	34.969402
"25391"	670.945806	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M-2H+K"	36.948606
"470055"	987.944406	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M-2H+K"	36.948606
"840566"	353.947206	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-2H+K"	36.948606
"1564052"	353.947206	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+K-2H"	36.948606
"958052"	361.996794	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-H+HCOOH"	44.998194
"371245"	678.995401	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+HCOOH-H"	44.998201
"354035"	693.011051	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+Hac-H"	59.013851
"1503963"	376.012451	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Hac-H"	59.013851
"969325"	383.978751	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-H+NaCOOH"	66.980151
"120422"	351.968002	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+2Cl"	69.938804
"562168"	510.467302	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+2Cl"	69.938804
"1034249"	193.468702	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2Cl"	69.938804
"1254192"	395.917485	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Br"	78.918885
"1315184"	397.973472	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Cl+HCOOH"	80.974872
"1331585"	419.955429	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Cl+NaCOOH"	102.956829
"924827"	429.984186	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M-H+CF3COOH"	112.985586
"1301899"	465.960864	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Cl+CF3COOH"	148.962264
"1375321"	281.985924	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H-2H2O"	-35.012676
"1389539"	299.9959	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H-H2O"	-17.0027
"290319"	635.004476	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+H"	1.007276
"683832"	952.003076	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+H"	1.007276
"1355806"	318.005876	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H"	1.007276
"131974"	318.005876	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+2H"	2.014552
"571545"	476.505176	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+2H"	2.014552
"1044721"	159.506576	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2H"	2.014552
"209710"	212.339676	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+3H"	3.021828
"651091"	318.005876	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+3H"	3.021828
"1165938"	106.673476	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+3H"	3.021828
"429209"	652.031023	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+NH4"	18.033823
"792391"	969.029623	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+NH4"	18.033823
"1687625"	335.032423	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+NH4"	18.033823
"337000"	326.5191495	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+H+NH4"	19.041099
"731611"	485.0184495	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+H+NH4"	19.041099
"1484337"	168.0198495	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H+NH4"	19.041099
"401924"	656.986418	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+Na"	22.989218
"768389"	973.985018	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+Na"	22.989218
"1614299"	339.987818	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Na"	22.989218
"325430"	328.996847	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+H+Na"	23.996494
"718947"	487.496147	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+H+Na"	23.996494
"1475683"	170.497547	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H+Na"	23.996494
"1063824"	114.00079	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2H+Na"	25.00377
"1265503"	350.032086	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+CH3OH+H"	33.033486
"392592"	672.960358	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+K"	38.963158
"752738"	989.958958	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+K"	38.963158
"1554426"	355.961758	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+K"	38.963158
"311604"	336.983817	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+H+K"	39.970434
"705485"	495.483117	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+H+K"	39.970434
"1460399"	178.484517	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H+K"	39.970434
"251312"	676.031026	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+ACN+H"	42.033826
"1225401"	359.032426	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+ACN+H"	42.033826
"1209600"	180.019851	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+ACN+2H"	43.041102
"203683"	678.96836	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+2Na-H"	44.97116
"643608"	995.96696	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+2Na-H"	44.97116
"1144677"	361.96976	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2Na-H"	44.97116
"177152"	339.987818	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+2Na"	45.978436
"618173"	498.487118	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+2Na"	45.978436
"1127878"	181.488518	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2Na"	45.978436
"1411044"	121.328104	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H+2Na"	46.985712
"1442064"	364.011346	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H+HCOOH"	47.012746
"234191"	345.02084	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+3H2O+2H"	56.04448
"1519092"	378.06339	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+IsoProp+H"	61.06479
"418422"	347.974788	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+Na+K"	61.952376
"783422"	506.474088	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+Na+K"	61.952376
"1676107"	189.475488	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Na+K"	61.952376
"264457"	698.012968	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+ACN+Na"	64.015768
"1238256"	381.014368	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+ACN+Na"	64.015768
"1726048"	381.037893	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+NH4+HCOOH"	64.039293
"1190678"	128.655418	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+3Na"	68.967654
"1659476"	385.993288	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Na+HCOOH"	68.994688
"169625"	710.91624	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+2K-H"	76.91904
"609549"	1027.91484	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+2K-H"	76.91904
"1095882"	393.91764	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2K-H"	76.91904
"154521"	355.961758	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"2M+2K"	77.926316
"588976"	514.461058	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"3M+2K"	77.926316
"1077860"	197.462458	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2K"	77.926316
"1107789"	395.932192	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2K+H"	78.933592
"1347460"	396.019807	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+DMSO+H"	79.021207
"1019272"	400.058976	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2ACN+H"	83.060376
"1534117"	401.052608	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+IsoProp+Na+H"	84.054008
"998378"	200.533126	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+2ACN+2H"	84.067652
"1590693"	401.967228	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+K+HCOOH"	84.968628
"1422911"	431.998738	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+H+CF3COOH"	115.000138
"1154294"	221.046401	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+3ACN+2H"	125.094202
"1704939"	449.025285	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+NH4+CF3COOH"	132.026685
"1636216"	453.98068	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+Na+CF3COOH"	136.98208
"1577336"	469.95462	"C02996"	"Meclofenamate sodium;Meclofenamic acid sodium salt"	"C14H10Cl2NO2Na"	"316.9986"	"M+K+CF3COOH"	152.95602
"807704"	197.08	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M"	0
"975406"	178.06161	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-H2O-H"	-19.01839
"67293"	130.379390666667	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M-3H"	-3.021828
"509039"	196.072724	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M-3H"	-3.021828
"884654"	64.6860573333333	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-3H"	-3.021828
"3227"	196.072724	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M-2H"	-2.014552
"444976"	294.612724	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M-2H"	-2.014552
"826063"	97.532724	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-2H"	-2.014552
"88244"	393.152724	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M-H"	-1.007276
"527803"	590.232724	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M-H"	-1.007276
"904516"	196.072724	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-H"	-1.007276
"58886"	410.179271	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M-2H+NH4"	16.019271
"494076"	607.259271	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M-2H+NH4"	16.019271
"867136"	213.099271	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-2H+NH4"	16.019271
"32851"	415.134666	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M-2H+Na"	20.974666
"474236"	612.214666	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M-2H+Na"	20.974666
"850582"	218.054666	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-2H+Na"	20.974666
"1623399"	218.054666	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Na-2H"	20.974666
"103208"	214.061063	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M-H+Cl"	33.962126
"548602"	312.601063	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M-H+Cl"	33.962126
"939564"	115.521063	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-H+Cl"	33.962126
"277026"	429.129402	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+Cl"	34.969402
"668355"	626.209402	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+Cl"	34.969402
"1284038"	232.049402	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Cl"	34.969402
"25501"	431.108606	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M-2H+K"	36.948606
"466155"	628.188606	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M-2H+K"	36.948606
"837395"	234.028606	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-2H+K"	36.948606
"1560882"	234.028606	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+K-2H"	36.948606
"946578"	242.078194	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-H+HCOOH"	44.998194
"365888"	439.158201	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+HCOOH-H"	44.998201
"353052"	453.173851	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+Hac-H"	59.013851
"1504073"	256.093851	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Hac-H"	59.013851
"972347"	264.060151	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-H+NaCOOH"	66.980151
"121257"	232.049402	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+2Cl"	69.938804
"562278"	330.589402	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+2Cl"	69.938804
"1033994"	133.509402	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2Cl"	69.938804
"1251751"	275.998885	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Br"	78.918885
"1315294"	278.054872	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Cl+HCOOH"	80.974872
"1333517"	300.036829	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Cl+NaCOOH"	102.956829
"924937"	310.065586	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M-H+CF3COOH"	112.985586
"1299457"	346.042264	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Cl+CF3COOH"	148.962264
"1373245"	162.067324	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H-2H2O"	-35.012676
"1389649"	180.0773	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H-H2O"	-17.0027
"290427"	395.167276	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+H"	1.007276
"682849"	592.247276	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+H"	1.007276
"1354093"	198.087276	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H"	1.007276
"132084"	198.087276	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+2H"	2.014552
"571655"	296.627276	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+2H"	2.014552
"1045924"	99.547276	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2H"	2.014552
"210549"	132.393942666667	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+3H"	3.021828
"652294"	198.087276	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+3H"	3.021828
"1167141"	66.7006093333333	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+3H"	3.021828
"429319"	412.193823	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+NH4"	18.033823
"792501"	609.273823	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+NH4"	18.033823
"1687735"	215.113823	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+NH4"	18.033823
"337110"	206.6005495	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+H+NH4"	19.041099
"730628"	305.1405495	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+H+NH4"	19.041099
"1484447"	108.0605495	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H+NH4"	19.041099
"402034"	417.149218	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+Na"	22.989218
"764492"	614.229218	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+Na"	22.989218
"1613316"	220.069218	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Na"	22.989218
"324447"	209.078247	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+H+Na"	23.996494
"716869"	307.618247	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+H+Na"	23.996494
"1470688"	110.538247	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H+Na"	23.996494
"1058465"	74.0279233333333	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2H+Na"	25.00377
"1265613"	230.113486	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+CH3OH+H"	33.033486
"391118"	433.123158	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+K"	38.963158
"752117"	630.203158	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+K"	38.963158
"1552705"	236.043158	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+K"	38.963158
"311709"	217.065217	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+H+K"	39.970434
"704862"	315.605217	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+H+K"	39.970434
"1460749"	118.525217	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H+K"	39.970434
"251175"	436.193826	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+ACN+H"	42.033826
"1222907"	239.113826	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+ACN+H"	42.033826
"1208486"	120.060551	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+ACN+2H"	43.041102
"202451"	439.13116	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+2Na-H"	44.97116
"642861"	636.21116	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+2Na-H"	44.97116
"1144908"	242.05116	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2Na-H"	44.97116
"176896"	220.069218	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+2Na"	45.978436
"616459"	318.609218	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+2Na"	45.978436
"1122520"	121.529218	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2Na"	45.978436
"1408236"	81.3552373333333	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H+2Na"	46.985712
"1439258"	244.092746	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H+HCOOH"	47.012746
"226766"	225.10224	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+3H2O+2H"	56.04448
"1520293"	258.14479	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+IsoProp+H"	61.06479
"421447"	228.056188	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+Na+K"	61.952376
"782072"	326.596188	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+Na+K"	61.952376
"1676217"	129.516188	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Na+K"	61.952376
"265294"	458.175768	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+ACN+Na"	64.015768
"1239460"	261.095768	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+ACN+Na"	64.015768
"1725794"	261.119293	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+NH4+HCOOH"	64.039293
"1189691"	88.6825513333333	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+3Na"	68.967654
"1658493"	266.074688	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Na+HCOOH"	68.994688
"170464"	471.07904	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+2K-H"	76.91904
"611116"	668.15904	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+2K-H"	76.91904
"1097085"	273.99904	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2K-H"	76.91904
"154995"	236.043158	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"2M+2K"	77.926316
"590179"	334.583158	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"3M+2K"	77.926316
"1076877"	137.503158	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2K"	77.926316
"1110085"	276.013592	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2K+H"	78.933592
"1348663"	276.101207	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+DMSO+H"	79.021207
"1019382"	280.140376	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2ACN+H"	83.060376
"1534227"	281.134008	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+IsoProp+Na+H"	84.054008
"998488"	140.573826	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+2ACN+2H"	84.067652
"1592989"	282.048628	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+K+HCOOH"	84.968628
"1420835"	312.080138	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+H+CF3COOH"	115.000138
"1154404"	161.087101	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+3ACN+2H"	125.094202
"1705049"	329.106685	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+NH4+CF3COOH"	132.026685
"1636326"	334.06208	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+Na+CF3COOH"	136.98208
"1577446"	350.03602	"C02997"	"N-Acetyl-L-histidine"	"C8H11N3O3"	"197.08"	"M+K+CF3COOH"	152.95602
"811095"	364.1482	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M"	0
"978068"	345.12981	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-H2O-H"	-19.01839
"67403"	241.758190666667	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M-3H"	-3.021828
"508055"	363.140924	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M-3H"	-3.021828
"884763"	120.375457333333	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-3H"	-3.021828
"2244"	363.140924	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M-2H"	-2.014552
"449466"	545.215024	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M-2H"	-2.014552
"830551"	181.066824	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-2H"	-2.014552
"89447"	727.289124	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M-H"	-1.007276
"529011"	1091.437324	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M-H"	-1.007276
"901343"	363.140924	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-H"	-1.007276
"52437"	744.315671	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M-2H+NH4"	16.019271
"490174"	1108.463871	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M-2H+NH4"	16.019271
"870900"	380.167471	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-2H+NH4"	16.019271
"34426"	749.271066	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M-2H+Na"	20.974666
"475080"	1113.419266	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M-2H+Na"	20.974666
"848949"	385.122866	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-2H+Na"	20.974666
"1630070"	385.122866	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Na-2H"	20.974666
"102225"	381.129263	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M-H+Cl"	33.962126
"546525"	563.203363	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M-H+Cl"	33.962126
"939311"	199.055163	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-H+Cl"	33.962126
"278231"	763.265802	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+Cl"	34.969402
"670652"	1127.414002	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+Cl"	34.969402
"1285244"	399.117602	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Cl"	34.969402
"28528"	765.245006	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M-2H+K"	36.948606
"462985"	1129.393206	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M-2H+K"	36.948606
"840786"	401.096806	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-2H+K"	36.948606
"1564273"	401.096806	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+K-2H"	36.948606
"948876"	409.146394	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-H+HCOOH"	44.998194
"365998"	773.294601	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+HCOOH-H"	44.998201
"355355"	787.310251	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+Hac-H"	59.013851
"1502005"	423.162051	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Hac-H"	59.013851
"965172"	431.128351	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-H+NaCOOH"	66.980151
"120641"	399.117602	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+2Cl"	69.938804
"563482"	581.191702	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+2Cl"	69.938804
"1032283"	217.043502	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2Cl"	69.938804
"1252955"	443.067085	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Br"	78.918885
"1314310"	445.123072	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Cl+HCOOH"	80.974872
"1331804"	467.105029	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Cl+NaCOOH"	102.956829
"925047"	477.133786	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M-H+CF3COOH"	112.985586
"1296290"	513.110464	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Cl+CF3COOH"	148.962264
"1379919"	329.135524	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H-2H2O"	-35.012676
"1395227"	347.1455	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H-H2O"	-17.0027
"292731"	729.303676	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+H"	1.007276
"680774"	1093.451876	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+H"	1.007276
"1353839"	365.155476	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H"	1.007276
"136580"	365.155476	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+2H"	2.014552
"570672"	547.229576	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+2H"	2.014552
"1047128"	183.081376	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2H"	2.014552
"212843"	243.772742666667	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+3H"	3.021828
"651309"	365.155476	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+3H"	3.021828
"1169432"	122.390009333333	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+3H"	3.021828
"430520"	746.330223	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+NH4"	18.033823
"790422"	1110.478423	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+NH4"	18.033823
"1685661"	382.182023	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+NH4"	18.033823
"337223"	373.6687495	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+H+NH4"	19.041099
"730738"	555.7428495	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+H+NH4"	19.041099
"1485658"	191.5946495	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H+NH4"	19.041099
"399964"	751.285618	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+Na"	22.989218
"760959"	1115.433818	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+Na"	22.989218
"1610149"	387.137418	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Na"	22.989218
"321279"	376.146447	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+H+Na"	23.996494
"715884"	558.220547	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+H+Na"	23.996494
"1469707"	194.072347	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H+Na"	23.996494
"1062956"	129.717323333333	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2H+Na"	25.00377
"1270469"	397.181686	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+CH3OH+H"	33.033486
"390137"	767.259558	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+K"	38.963158
"751860"	1131.407758	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+K"	38.963158
"1553184"	403.111358	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+K"	38.963158
"306717"	384.133417	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+H+K"	39.970434
"701328"	566.207517	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+H+K"	39.970434
"1458064"	202.059317	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H+K"	39.970434
"249215"	770.330226	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+ACN+H"	42.033826
"1221558"	406.182026	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+ACN+H"	42.033826
"1207627"	203.594651	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+ACN+2H"	43.041102
"202323"	773.26756	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+2Na-H"	44.97116
"642852"	1137.41576	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+2Na-H"	44.97116
"1145018"	409.11936	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2Na-H"	44.97116
"177375"	387.137418	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+2Na"	45.978436
"623865"	569.211518	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+2Na"	45.978436
"1125549"	205.063318	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2Na"	45.978436
"1402876"	137.044637333333	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H+2Na"	46.985712
"1440459"	411.160946	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H+HCOOH"	47.012746
"226874"	392.17044	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+3H2O+2H"	56.04448
"1522232"	425.21299	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+IsoProp+H"	61.06479
"415721"	395.124388	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+Na+K"	61.952376
"781089"	577.198488	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+Na+K"	61.952376
"1678513"	213.050288	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Na+K"	61.952376
"261754"	792.312168	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+ACN+Na"	64.015768
"1234462"	428.163968	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+ACN+Na"	64.015768
"1723717"	428.187493	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+NH4+HCOOH"	64.039293
"1189806"	144.371951333333	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+3Na"	68.967654
"1658604"	433.142888	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Na+HCOOH"	68.994688
"168753"	805.21544	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+2K-H"	76.91904
"608310"	1169.36364	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+2K-H"	76.91904
"1098291"	441.06724	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2K-H"	76.91904
"156198"	403.111358	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"2M+2K"	77.926316
"595758"	585.185458	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"3M+2K"	77.926316
"1075893"	221.037258	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2K"	77.926316
"1110195"	443.081792	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2K+H"	78.933592
"1347680"	443.169407	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+DMSO+H"	79.021207
"1016209"	447.208576	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2ACN+H"	83.060376
"1534335"	448.202208	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+IsoProp+Na+H"	84.054008
"1000781"	224.107926	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+2ACN+2H"	84.067652
"1595285"	449.116828	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+K+HCOOH"	84.968628
"1420945"	479.148338	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+H+CF3COOH"	115.000138
"1151233"	244.621201	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+3ACN+2H"	125.094202
"1701878"	496.174885	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+NH4+CF3COOH"	132.026685
"1634182"	501.13028	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+Na+CF3COOH"	136.98208
"1574277"	517.10422	"C02999"	"N-Acetylmuramoyl-Ala;N-Acetyl-D-muramoyl-L-alanine"	"C14H24N2O9"	"364.1482"	"M+K+CF3COOH"	152.95602
"804646"	278.1379	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M"	0
"977083"	259.11951	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-H2O-H"	-19.01839
"65324"	184.417990666667	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M-3H"	-3.021828
"509259"	277.130624	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M-3H"	-3.021828
"882686"	91.7053573333333	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-3H"	-3.021828
"15629"	277.130624	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M-2H"	-2.014552
"449581"	416.199574	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M-2H"	-2.014552
"830419"	138.061674	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-2H"	-2.014552
"86281"	555.268524	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M-H"	-1.007276
"529122"	833.406424	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M-H"	-1.007276
"902548"	277.130624	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-H"	-1.007276
"50357"	572.295071	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M-2H+NH4"	16.019271
"489926"	850.432971	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M-2H+NH4"	16.019271
"869917"	294.157171	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-2H+NH4"	16.019271
"35994"	577.250466	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M-2H+Na"	20.974666
"475913"	855.388366	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M-2H+Na"	20.974666
"850681"	299.112566	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-2H+Na"	20.974666
"1626900"	299.112566	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Na-2H"	20.974666
"103428"	295.118963	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M-H+Cl"	33.962126
"546269"	434.187913	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M-H+Cl"	33.962126
"935410"	156.050013	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-H+Cl"	33.962126
"277247"	591.245202	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+Cl"	34.969402
"670762"	869.383102	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+Cl"	34.969402
"1284260"	313.107302	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Cl"	34.969402
"26817"	593.224406	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M-2H+K"	36.948606
"462001"	871.362306	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M-2H+K"	36.948606
"836522"	315.086506	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-2H+K"	36.948606
"1564382"	315.086506	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+K-2H"	36.948606
"948986"	323.136094	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-H+HCOOH"	44.998194
"369399"	601.274001	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+HCOOH-H"	44.998201
"354372"	615.289651	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+Hac-H"	59.013851
"1502114"	337.151751	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Hac-H"	59.013851
"969656"	345.118051	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-H+NaCOOH"	66.980151
"121845"	313.107302	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+2Cl"	69.938804
"559219"	452.176252	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+2Cl"	69.938804
"1035675"	174.038352	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2Cl"	69.938804
"1254526"	357.056785	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Br"	78.918885
"1314420"	359.112772	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Cl+HCOOH"	80.974872
"1331915"	381.094729	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Cl+NaCOOH"	102.956829
"918599"	391.123486	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M-H+CF3COOH"	112.985586
"1296401"	427.100164	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Cl+CF3COOH"	148.962264
"1376751"	243.125224	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H-2H2O"	-35.012676
"1396072"	261.1352	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H-H2O"	-17.0027
"291748"	557.283076	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+H"	1.007276
"681979"	835.420976	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+H"	1.007276
"1364531"	279.145176	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H"	1.007276
"135598"	279.145176	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+2H"	2.014552
"572972"	418.214126	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+2H"	2.014552
"1041770"	140.076226	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2H"	2.014552
"211858"	186.432542666667	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+3H"	3.021828
"653608"	279.145176	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+3H"	3.021828
"1170638"	93.7199093333333	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+3H"	3.021828
"430632"	574.309623	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+NH4"	18.033823
"792720"	852.447523	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+NH4"	18.033823
"1687962"	296.171723	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+NH4"	18.033823
"339521"	287.6584495	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+H+NH4"	19.041099
"734862"	426.7273995	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+H+NH4"	19.041099
"1489048"	148.5894995	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H+NH4"	19.041099
"405539"	579.265018	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+Na"	22.989218
"765440"	857.402918	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+Na"	22.989218
"1612446"	301.127118	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Na"	22.989218
"323576"	290.136147	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+H+Na"	23.996494
"711624"	429.205097	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+H+Na"	23.996494
"1469821"	151.067197	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H+Na"	23.996494
"1065255"	101.047223333333	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2H+Na"	25.00377
"1269120"	311.171386	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+CH3OH+H"	33.033486
"389881"	595.238958	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+K"	38.963158
"753067"	873.376858	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+K"	38.963158
"1554023"	317.101058	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+K"	38.963158
"310105"	298.123117	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+H+K"	39.970434
"705443"	437.192067	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+H+K"	39.970434
"1459266"	159.054167	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H+K"	39.970434
"250663"	598.309626	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+ACN+H"	42.033826
"1224219"	320.171726	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+ACN+H"	42.033826
"1204822"	160.589501	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+ACN+2H"	43.041102
"203527"	601.24696	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+2Na-H"	44.97116
"642716"	879.38486	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+2Na-H"	44.97116
"1138570"	323.10906	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2Na-H"	44.97116
"180769"	301.127118	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+2Na"	45.978436
"614500"	440.196068	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+2Na"	45.978436
"1122744"	162.058168	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2Na"	45.978436
"1406267"	108.374537333333	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H+2Na"	46.985712
"1437289"	325.150646	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H+HCOOH"	47.012746
"228081"	306.16014	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+3H2O+2H"	56.04448
"1519425"	339.20269	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+IsoProp+H"	61.06479
"418016"	309.114088	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+Na+K"	61.952376
"777916"	448.183038	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+Na+K"	61.952376
"1672059"	170.045138	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Na+K"	61.952376
"257487"	620.291568	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+ACN+Na"	64.015768
"1236762"	342.153668	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+ACN+Na"	64.015768
"1724190"	342.177193	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+NH4+HCOOH"	64.039293
"1188818"	115.701851333333	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+3Na"	68.967654
"1664184"	347.132588	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Na+HCOOH"	68.994688
"172265"	633.19484	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+2K-H"	76.91904
"607325"	911.33274	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+2K-H"	76.91904
"1099705"	355.05694	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2K-H"	76.91904
"155945"	317.101058	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"2M+2K"	77.926316
"595868"	456.170008	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"3M+2K"	77.926316
"1076003"	178.032108	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2K"	77.926316
"1115307"	357.071492	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2K+H"	78.933592
"1350343"	357.159107	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+DMSO+H"	79.021207
"1018507"	361.198276	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2ACN+H"	83.060376
"1533351"	362.191908	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+IsoProp+Na+H"	84.054008
"996518"	181.102776	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+2ACN+2H"	84.067652
"1594302"	363.106528	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+K+HCOOH"	84.968628
"1418866"	393.138038	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+H+CF3COOH"	115.000138
"1152438"	201.616051	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+3ACN+2H"	125.094202
"1699072"	410.164585	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+NH4+CF3COOH"	132.026685
"1648216"	415.11998	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+Na+CF3COOH"	136.98208
"1574389"	431.09392	"C03001"	"N-Benzoyl-D-arginine"	"C13H18N4O3"	"278.1379"	"M+K+CF3COOH"	152.95602
"808036"	250.1317	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M"	0
"982660"	231.11331	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-H2O-H"	-19.01839
"68715"	165.747190666667	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M-3H"	-3.021828
"513743"	249.124424	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M-3H"	-3.021828
"886077"	82.3699573333333	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-3H"	-3.021828
"13410"	249.124424	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M-2H"	-2.014552
"448598"	374.190274	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M-2H"	-2.014552
"829678"	124.058574	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-2H"	-2.014552
"84204"	499.256124	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M-H"	-1.007276
"527045"	749.387824	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M-H"	-1.007276
"900835"	249.124424	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-H"	-1.007276
"49742"	516.282671	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M-2H+NH4"	16.019271
"490399"	766.414371	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M-2H+NH4"	16.019271
"870027"	266.150971	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-2H+NH4"	16.019271
"36104"	521.238066	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M-2H+Na"	20.974666
"475659"	771.369766	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M-2H+Na"	20.974666
"851398"	271.106366	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-2H+Na"	20.974666
"1630290"	271.106366	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Na-2H"	20.974666
"103538"	267.112763	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M-H+Cl"	33.962126
"548081"	392.178613	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M-H+Cl"	33.962126
"936613"	142.046913	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-H+Cl"	33.962126
"278450"	535.232802	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+Cl"	34.969402
"670508"	785.364502	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+Cl"	34.969402
"1282182"	285.101102	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Cl"	34.969402
"28020"	537.212006	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M-2H+K"	36.948606
"459925"	787.343706	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M-2H+K"	36.948606
"838817"	287.080306	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-2H+K"	36.948606
"1564492"	287.080306	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+K-2H"	36.948606
"946907"	295.129894	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-H+HCOOH"	44.998194
"372788"	545.261601	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+HCOOH-H"	44.998201
"356669"	559.277251	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+Hac-H"	59.013851
"1502224"	309.145551	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Hac-H"	59.013851
"969763"	317.111851	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-H+NaCOOH"	66.980151
"125114"	285.101102	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+2Cl"	69.938804
"564431"	410.166952	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+2Cl"	69.938804
"1035057"	160.035252	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2Cl"	69.938804
"1255362"	329.050585	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Br"	78.918885
"1318538"	331.106572	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Cl+HCOOH"	80.974872
"1333483"	353.088529	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Cl+NaCOOH"	102.956829
"919073"	363.117286	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M-H+CF3COOH"	112.985586
"1296511"	399.093964	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Cl+CF3COOH"	148.962264
"1375765"	215.119024	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H-2H2O"	-35.012676
"1396181"	233.129	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H-H2O"	-17.0027
"295137"	501.270676	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+H"	1.007276
"683182"	751.402376	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+H"	1.007276
"1365007"	251.138976	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H"	1.007276
"132430"	251.138976	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+2H"	2.014552
"574178"	376.204826	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+2H"	2.014552
"1044068"	126.073126	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2H"	2.014552
"216343"	167.761742666667	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+3H"	3.021828
"653719"	251.138976	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+3H"	3.021828
"1174028"	84.3845093333333	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+3H"	3.021828
"434022"	518.297223	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+NH4"	18.033823
"795016"	768.428923	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+NH4"	18.033823
"1691353"	268.165523	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+NH4"	18.033823
"339629"	259.6522495	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+H+NH4"	19.041099
"734246"	384.7180995	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+H+NH4"	19.041099
"1489159"	134.5863995	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H+NH4"	19.041099
"406014"	523.252618	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+Na"	22.989218
"762274"	773.384318	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+Na"	22.989218
"1614745"	273.120918	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Na"	22.989218
"323686"	262.129947	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+H+Na"	23.996494
"712827"	387.195797	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+H+Na"	23.996494
"1471023"	137.064097	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H+Na"	23.996494
"1065363"	91.7118233333333	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2H+Na"	25.00377
"1271415"	283.165186	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+CH3OH+H"	33.033486
"391084"	539.226558	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+K"	38.963158
"750986"	789.358258	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+K"	38.963158
"1553039"	289.094858	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+K"	38.963158
"308027"	270.116917	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+H+K"	39.970434
"703730"	395.182767	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+H+K"	39.970434
"1458644"	145.051067	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H+K"	39.970434
"248339"	542.297226	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+ACN+H"	42.033826
"1224329"	292.165526	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+ACN+H"	42.033826
"1208211"	146.586401	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+ACN+2H"	43.041102
"203714"	545.23456	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+2Na-H"	44.97116
"643435"	795.36626	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+2Na-H"	44.97116
"1143055"	295.10286	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2Na-H"	44.97116
"188051"	273.120918	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+2Na"	45.978436
"616797"	398.186768	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+2Na"	45.978436
"1123947"	148.055068	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2Na"	45.978436
"1406377"	99.0391373333333	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H+2Na"	46.985712
"1438493"	297.144446	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H+HCOOH"	47.012746
"230378"	278.15394	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+3H2O+2H"	56.04448
"1519534"	311.19649	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+IsoProp+H"	61.06479
"419221"	281.107888	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+Na+K"	61.952376
"776933"	406.173738	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+Na+K"	61.952376
"1670347"	156.042038	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Na+K"	61.952376
"259784"	564.279168	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+ACN+Na"	64.015768
"1236871"	314.147468	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+ACN+Na"	64.015768
"1722476"	314.170993	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+NH4+HCOOH"	64.039293
"1190021"	106.366451333333	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+3Na"	68.967654
"1663201"	319.126388	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Na+HCOOH"	68.994688
"171525"	577.18244	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+2K-H"	76.91904
"611444"	827.31414	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+2K-H"	76.91904
"1099122"	327.05074	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2K-H"	76.91904
"156179"	289.094858	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"2M+2K"	77.926316
"596102"	414.160708	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"3M+2K"	77.926316
"1080485"	164.029008	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2K"	77.926316
"1114800"	329.065292	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2K+H"	78.933592
"1349844"	329.152907	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+DMSO+H"	79.021207
"1017524"	333.192076	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2ACN+H"	83.060376
"1536742"	334.185708	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+IsoProp+Na+H"	84.054008
"998815"	167.099676	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+2ACN+2H"	84.067652
"1595505"	335.100328	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+K+HCOOH"	84.968628
"1423352"	365.131838	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+H+CF3COOH"	115.000138
"1154736"	187.612951	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+3ACN+2H"	125.094202
"1699912"	382.158385	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+NH4+CF3COOH"	132.026685
"1641035"	387.11378	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+Na+CF3COOH"	136.98208
"1573769"	403.08772	"C03002"	"N-Caffeoylputrescine"	"C13H18N2O3"	"250.1317"	"M+K+CF3COOH"	152.95602
"808146"	286.0927	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M"	0
"977303"	267.07431	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-H2O-H"	-19.01839
"67731"	189.721190666667	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M-3H"	-3.021828
"506199"	285.085424	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M-3H"	-3.021828
"884000"	94.3569573333333	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-3H"	-3.021828
"14614"	285.085424	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M-2H"	-2.014552
"448708"	428.131774	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M-2H"	-2.014552
"829788"	142.039074	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-2H"	-2.014552
"86501"	571.178124	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M-H"	-1.007276
"527154"	857.270824	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M-H"	-1.007276
"900581"	285.085424	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-H"	-1.007276
"50945"	588.204671	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M-2H+NH4"	16.019271
"490145"	874.297371	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M-2H+NH4"	16.019271
"868678"	302.111971	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-2H+NH4"	16.019271
"36214"	593.160066	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M-2H+Na"	20.974666
"474677"	879.252766	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M-2H+Na"	20.974666
"851752"	307.067366	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-2H+Na"	20.974666
"1631494"	307.067366	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Na-2H"	20.974666
"102555"	303.073763	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M-H+Cl"	33.962126
"548555"	446.120113	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M-H+Cl"	33.962126
"935630"	160.027413	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-H+Cl"	33.962126
"276374"	607.154802	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+Cl"	34.969402
"668796"	893.247502	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+Cl"	34.969402
"1281199"	321.062102	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Cl"	34.969402
"27037"	609.134006	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M-2H+K"	36.948606
"460035"	895.226706	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M-2H+K"	36.948606
"834555"	323.041306	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-2H+K"	36.948606
"1565695"	323.041306	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+K-2H"	36.948606
"949203"	331.090894	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-H+HCOOH"	44.998194
"370712"	617.183601	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+HCOOH-H"	44.998201
"351678"	631.199251	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+Hac-H"	59.013851
"1501241"	345.106551	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Hac-H"	59.013851
"970969"	353.072851	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-H+NaCOOH"	66.980151
"124252"	321.062102	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+2Cl"	69.938804
"564541"	464.108452	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+2Cl"	69.938804
"1034801"	178.015752	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2Cl"	69.938804
"1255470"	365.011585	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Br"	78.918885
"1315731"	367.067572	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Cl+HCOOH"	80.974872
"1332134"	389.049529	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Cl+NaCOOH"	102.956829
"919183"	399.078286	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M-H+CF3COOH"	112.985586
"1296621"	435.054964	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Cl+CF3COOH"	148.962264
"1375875"	251.080024	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H-2H2O"	-35.012676
"1393375"	269.09	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H-H2O"	-17.0027
"293060"	573.192676	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+H"	1.007276
"683292"	859.285376	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+H"	1.007276
"1363293"	287.099976	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H"	1.007276
"132178"	287.099976	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+2H"	2.014552
"572102"	430.146326	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+2H"	2.014552
"1043084"	144.053626	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2H"	2.014552
"209896"	191.735742666667	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+3H"	3.021828
"651645"	287.099976	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+3H"	3.021828
"1170862"	96.3715093333333	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+3H"	3.021828
"435225"	590.219223	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+NH4"	18.033823
"794032"	876.311923	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+NH4"	18.033823
"1688177"	304.126523	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+NH4"	18.033823
"337548"	295.6132495	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+H+NH4"	19.041099
"734350"	438.6595995	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+H+NH4"	19.041099
"1489264"	152.5668995	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H+NH4"	19.041099
"405760"	595.174618	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+Na"	22.989218
"763477"	881.267318	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+Na"	22.989218
"1612669"	309.081918	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Na"	22.989218
"323796"	298.090947	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+H+Na"	23.996494
"714030"	441.137297	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+H+Na"	23.996494
"1471133"	155.044597	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H+Na"	23.996494
"1064380"	103.698823333333	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2H+Na"	25.00377
"1272298"	319.126186	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+CH3OH+H"	33.033486
"391925"	611.148558	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+K"	38.963158
"753772"	897.241258	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+K"	38.963158
"1554243"	325.055858	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+K"	38.963158
"309230"	306.077917	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+H+K"	39.970434
"703840"	449.124267	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+H+K"	39.970434
"1459848"	163.031567	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H+K"	39.970434
"250514"	614.219226	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+ACN+H"	42.033826
"1223344"	328.126526	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+ACN+H"	42.033826
"1206135"	164.566901	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+ACN+2H"	43.041102
"202284"	617.15656	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+2Na-H"	44.97116
"643061"	903.24926	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+2Na-H"	44.97116
"1142072"	331.06386	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2Na-H"	44.97116
"185366"	309.081918	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+2Na"	45.978436
"617272"	452.128268	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+2Na"	45.978436
"1122963"	166.035568	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2Na"	45.978436
"1405393"	111.026137333333	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H+2Na"	46.985712
"1437509"	333.105446	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H+HCOOH"	47.012746
"228299"	314.11494	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+3H2O+2H"	56.04448
"1513081"	347.15749	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+IsoProp+H"	61.06479
"416047"	317.068888	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+Na+K"	61.952376
"775948"	460.115238	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+Na+K"	61.952376
"1672277"	174.022538	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Na+K"	61.952376
"259894"	636.201168	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+ACN+Na"	64.015768
"1235888"	350.108468	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+ACN+Na"	64.015768
"1720400"	350.131993	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+NH4+HCOOH"	64.039293
"1185757"	118.353451333333	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+3Na"	68.967654
"1664772"	355.087388	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Na+HCOOH"	68.994688
"171265"	649.10444	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+2K-H"	76.91904
"611918"	935.19714	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+2K-H"	76.91904
"1099476"	363.01174	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2K-H"	76.91904
"156774"	325.055858	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"2M+2K"	77.926316
"593898"	468.102208	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"3M+2K"	77.926316
"1081688"	182.009508	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2K"	77.926316
"1112721"	365.026292	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2K+H"	78.933592
"1346915"	365.113907	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+DMSO+H"	79.021207
"1017634"	369.153076	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2ACN+H"	83.060376
"1534665"	370.146708	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+IsoProp+Na+H"	84.054008
"997832"	185.080176	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+2ACN+2H"	84.067652
"1596708"	371.061328	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+K+HCOOH"	84.968628
"1421274"	401.092838	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+H+CF3COOH"	115.000138
"1154846"	205.593451	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+3ACN+2H"	125.094202
"1700022"	418.119385	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+NH4+CF3COOH"	132.026685
"1640052"	423.07478	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+Na+CF3COOH"	136.98208
"1573150"	439.04872	"C03003"	"N-Glucosylnicotinate"	"C12H16NO7"	"286.0927"	"M+K+CF3COOH"	152.95602
"811536"	197.0688	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M"	0
"975228"	178.05041	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-H2O-H"	-19.01839
"67843"	130.371924	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M-3H"	-3.021828
"506309"	196.061524	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M-3H"	-3.021828
"880832"	64.682324	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-3H"	-3.021828
"4874"	196.061524	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M-2H"	-2.014552
"452099"	294.595924	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M-2H"	-2.014552
"828805"	97.527124	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-2H"	-2.014552
"86611"	393.130324	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M-H"	-1.007276
"526171"	590.199124	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M-H"	-1.007276
"902878"	196.061524	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-H"	-1.007276
"49600"	410.156871	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M-2H+NH4"	16.019271
"490256"	607.225671	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M-2H+NH4"	16.019271
"865873"	213.088071	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-2H+NH4"	16.019271
"33406"	415.112266	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M-2H+Na"	20.974666
"472967"	612.181066	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M-2H+Na"	20.974666
"855509"	218.043466	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-2H+Na"	20.974666
"1630510"	218.043466	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Na-2H"	20.974666
"100478"	214.049863	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M-H+Cl"	33.962126
"546599"	312.584263	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M-H+Cl"	33.962126
"934646"	115.515463	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-H+Cl"	33.962126
"277577"	429.107002	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+Cl"	34.969402
"668906"	626.175802	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+Cl"	34.969402
"1284589"	232.038202	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Cl"	34.969402
"27147"	431.086206	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M-2H+K"	36.948606
"463425"	628.155006	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M-2H+K"	36.948606
"834666"	234.017406	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-2H+K"	36.948606
"1559245"	234.017406	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+K-2H"	36.948606
"946036"	242.066994	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-H+HCOOH"	44.998194
"370822"	439.135801	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+HCOOH-H"	44.998201
"351788"	453.151451	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+Hac-H"	59.013851
"1502444"	256.082651	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Hac-H"	59.013851
"966704"	264.048951	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-H+NaCOOH"	66.980151
"124361"	232.038202	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+2Cl"	69.938804
"563922"	330.572602	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+2Cl"	69.938804
"1034546"	133.503802	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2Cl"	69.938804
"1254487"	275.987685	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Br"	78.918885
"1315841"	278.043672	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Cl+HCOOH"	80.974872
"1327872"	300.025629	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Cl+NaCOOH"	102.956829
"919293"	310.054386	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M-H+CF3COOH"	112.985586
"1296731"	346.031064	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Cl+CF3COOH"	148.962264
"1375985"	162.056124	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H-2H2O"	-35.012676
"1393485"	180.0661	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H-H2O"	-17.0027
"294264"	395.144876	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+H"	1.007276
"683402"	592.213676	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+H"	1.007276
"1364130"	198.076076	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H"	1.007276
"134837"	198.076076	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+2H"	2.014552
"573305"	296.610476	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+2H"	2.014552
"1043558"	99.541676	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2H"	2.014552
"213284"	132.386476	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+3H"	3.021828
"653939"	198.076076	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+3H"	3.021828
"1175708"	66.696876	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+3H"	3.021828
"430961"	412.171423	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+NH4"	18.033823
"794142"	609.240223	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+NH4"	18.033823
"1686101"	215.102623	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+NH4"	18.033823
"334378"	206.5893495	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+H+NH4"	19.041099
"732273"	305.1237495	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+H+NH4"	19.041099
"1489374"	108.0549495	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H+NH4"	19.041099
"404775"	417.126818	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+Na"	22.989218
"764679"	614.195618	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+Na"	22.989218
"1613871"	220.058018	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Na"	22.989218
"325729"	209.067047	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+H+Na"	23.996494
"714140"	307.601447	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+H+Na"	23.996494
"1470150"	110.532647	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H+Na"	23.996494
"1065583"	74.02419	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2H+Na"	25.00377
"1271517"	230.102286	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+CH3OH+H"	33.033486
"392156"	433.100758	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+K"	38.963158
"753396"	630.169558	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+K"	38.963158
"1552166"	236.031958	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+K"	38.963158
"309341"	217.054017	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+H+K"	39.970434
"703952"	315.588417	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+H+K"	39.970434
"1457773"	118.519617	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H+K"	39.970434
"250260"	436.171426	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+ACN+H"	42.033826
"1222360"	239.102626	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+ACN+H"	42.033826
"1205152"	120.054951	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+ACN+2H"	43.041102
"201300"	439.10876	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+2Na-H"	44.97116
"641589"	636.17756	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+2Na-H"	44.97116
"1142182"	242.03996	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2Na-H"	44.97116
"183288"	220.058018	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+2Na"	45.978436
"617381"	318.592418	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+2Na"	45.978436
"1118698"	121.523618	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2Na"	45.978436
"1401129"	81.351504	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H+2Na"	46.985712
"1432152"	244.081546	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H+HCOOH"	47.012746
"225128"	225.09104	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+3H2O+2H"	56.04448
"1517201"	258.13359	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+IsoProp+H"	61.06479
"416154"	228.044988	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+Na+K"	61.952376
"777147"	326.579388	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+Na+K"	61.952376
"1671290"	129.510588	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Na+K"	61.952376
"257811"	458.153368	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+ACN+Na"	64.015768
"1230526"	261.084568	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+ACN+Na"	64.015768
"1719411"	261.108093	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+NH4+HCOOH"	64.039293
"1186960"	88.678818	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+3Na"	68.967654
"1663420"	266.063488	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Na+HCOOH"	68.994688
"167000"	471.05664	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+2K-H"	76.91904
"607653"	668.12544	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+2K-H"	76.91904
"1097633"	273.98784	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2K-H"	76.91904
"153354"	236.031958	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"2M+2K"	77.926316
"591818"	334.566358	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"3M+2K"	77.926316
"1081798"	137.497558	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2K"	77.926316
"1113925"	276.002392	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2K+H"	78.933592
"1347025"	276.090007	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+DMSO+H"	79.021207
"1017744"	280.129176	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2ACN+H"	83.060376
"1534775"	281.122808	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+IsoProp+Na+H"	84.054008
"999035"	140.568226	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+2ACN+2H"	84.067652
"1596818"	282.037428	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+K+HCOOH"	84.968628
"1419198"	312.068938	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+H+CF3COOH"	115.000138
"1154956"	161.081501	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+3ACN+2H"	125.094202
"1701225"	329.095485	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+NH4+CF3COOH"	132.026685
"1635785"	334.05088	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+Na+CF3COOH"	136.98208
"1572532"	350.02482	"C03004"	"N-Hydroxy-L-tyrosine"	"C9H11NO4"	"197.0688"	"M+K+CF3COOH"	152.95602
"811646"	151.0633	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M"	0
"975338"	132.04491	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"70139"	99.7015906666667	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"509699"	150.056024	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"884222"	49.3471573333333	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"7171"	150.056024	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"453789"	225.587674	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"830739"	74.524374	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"86722"	301.119324	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"528468"	452.182624	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"900801"	150.056024	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"51897"	318.145871	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"490367"	469.209171	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"870357"	167.082571	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"34975"	323.101266	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"475629"	474.164566	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"854526"	172.037966	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1630620"	172.037966	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"100588"	168.044363	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"546709"	243.576013	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"934756"	92.512713	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"277323"	337.096002	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"669016"	488.159302	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1282513"	186.032702	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"27986"	339.075206	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"463535"	490.138506	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"839149"	188.011906	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1559356"	188.011906	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"947239"	196.061494	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"370932"	347.124801	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"354813"	361.140451	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1500364"	210.077151	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"966814"	218.043451	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"116813"	186.032702	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"560750"	261.564352	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1032831"	110.501052	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1251316"	229.982185	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1316681"	232.038172	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1330167"	254.020129	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"919038"	264.048886	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1293559"	300.025564	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1373909"	116.050624	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1389221"	134.0606	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"291093"	303.133876	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"683512"	454.197176	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1360958"	152.070576	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"130568"	152.070576	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"571221"	227.602226	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1044398"	76.538926	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"212301"	101.716142666667	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"654049"	152.070576	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1175453"	51.3617093333333	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"432165"	320.160423	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"794251"	471.223723	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1687304"	169.097123	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"334488"	160.5838495	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"733476"	236.1154995	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1490578"	85.0521995	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"406957"	325.115818	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"766976"	476.179118	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1613983"	174.052518	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"327297"	163.061547	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"716437"	238.593197	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1470260"	87.529897	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1065693"	58.6890233333333	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1271872"	184.096786	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"391414"	341.089758	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"753143"	492.153058	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1553370"	190.026458	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"308358"	171.048517	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"703698"	246.580167	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1457883"	95.516867	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"250372"	344.160426	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1223932"	193.097126	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1208789"	97.052201	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"199957"	347.09776	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"642676"	498.16106	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1142292"	196.03446	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"179025"	174.052518	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"618584"	249.584168	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1118806"	98.520868	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1400511"	66.0163373333333	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1433356"	198.076046	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"227426"	179.08554	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1516217"	212.12809	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"416265"	182.039488	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"778350"	257.571138	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1670307"	106.507838	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"256828"	366.142368	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1234650"	215.079068	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1719527"	215.102593	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1183787"	73.3436513333333	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1658423"	220.057988	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"166012"	379.04564	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"605576"	530.10894	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1097501"	227.98234	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"153464"	190.026458	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"593024"	265.558108	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1081666"	114.494808	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1110753"	229.996892	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1346042"	230.084507	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1016760"	234.123676	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1538165"	235.117308	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"999146"	117.565476	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1598023"	236.031928	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1420402"	266.063438	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1152878"	138.078751	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1702429"	283.089985	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1639175"	288.04538	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1574829"	304.01932	"C03005"	"N-Methylanthranilate;N-Methylanthranilic acid;2-(Methylamino)benzoic acid"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"808476"	124.0637	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M"	0
"977634"	105.04531	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-H2O-H"	-19.01839
"66969"	81.7018573333333	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M-3H"	-3.021828
"507622"	123.056424	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M-3H"	-3.021828
"888705"	40.3472906666667	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-3H"	-3.021828
"5094"	123.056424	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M-2H"	-2.014552
"453413"	185.088274	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M-2H"	-2.014552
"831942"	61.024574	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-2H"	-2.014552
"89019"	247.120124	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M-H"	-1.007276
"531858"	371.183824	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M-H"	-1.007276
"900911"	123.056424	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-H"	-1.007276
"53100"	264.146671	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M-2H+NH4"	16.019271
"489383"	388.210371	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M-2H+NH4"	16.019271
"868280"	140.082971	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-2H+NH4"	16.019271
"35085"	269.102066	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M-2H+Na"	20.974666
"473551"	393.165766	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M-2H+Na"	20.974666
"856822"	145.038366	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-2H+Na"	20.974666
"1630730"	145.038366	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Na-2H"	20.974666
"97418"	141.044763	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M-H+Cl"	33.962126
"541351"	203.076613	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M-H+Cl"	33.962126
"931585"	79.012913	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-H+Cl"	33.962126
"277797"	283.096802	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+Cl"	34.969402
"670219"	407.160502	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+Cl"	34.969402
"1281528"	159.033102	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Cl"	34.969402
"22992"	285.076006	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M-2H+K"	36.948606
"458177"	409.139706	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M-2H+K"	36.948606
"834885"	161.012306	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-2H+K"	36.948606
"1558373"	161.012306	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+K-2H"	36.948606
"945161"	169.061894	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-H+HCOOH"	44.998194
"371771"	293.125601	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+HCOOH-H"	44.998201
"359295"	307.141251	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+Hac-H"	59.013851
"1501567"	183.077551	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Hac-H"	59.013851
"969110"	191.043851	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-H+NaCOOH"	66.980151
"116923"	159.033102	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+2Cl"	69.938804
"563775"	221.064952	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+2Cl"	69.938804
"1031845"	97.001252	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2Cl"	69.938804
"1256366"	202.982585	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Br"	78.918885
"1317154"	205.038572	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Cl+HCOOH"	80.974872
"1330277"	227.020529	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Cl+NaCOOH"	102.956829
"919148"	237.049286	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M-H+CF3COOH"	112.985586
"1294033"	273.025964	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Cl+CF3COOH"	148.962264
"1375112"	89.051024	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H-2H2O"	-35.012676
"1390424"	107.061	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H-H2O"	-17.0027
"291203"	249.134676	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+H"	1.007276
"683622"	373.198376	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+H"	1.007276
"1362161"	125.070976	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H"	1.007276
"132864"	125.070976	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+2H"	2.014552
"570235"	187.102826	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+2H"	2.014552
"1042321"	63.039126	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2H"	2.014552
"209130"	83.7164093333333	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+3H"	3.021828
"653065"	125.070976	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+3H"	3.021828
"1172283"	42.3618426666667	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+3H"	3.021828
"432275"	266.161223	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+NH4"	18.033823
"792174"	390.224923	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+NH4"	18.033823
"1688507"	142.097523	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+NH4"	18.033823
"335691"	133.5842495	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+H+NH4"	19.041099
"734679"	195.6160995	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+H+NH4"	19.041099
"1491052"	71.5523995	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H+NH4"	19.041099
"403907"	271.116618	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+Na"	22.989218
"763809"	395.180318	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+Na"	22.989218
"1614090"	147.052918	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Na"	22.989218
"328869"	136.061947	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+H+Na"	23.996494
"715453"	198.093797	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+H+Na"	23.996494
"1471461"	74.030097	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H+Na"	23.996494
"1068357"	49.6891566666667	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2H+Na"	25.00377
"1272103"	157.097186	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+CH3OH+H"	33.033486
"392257"	287.090558	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+K"	38.963158
"753496"	411.154258	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+K"	38.963158
"1553480"	163.026858	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+K"	38.963158
"308468"	144.048917	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+H+K"	39.970434
"704169"	206.080767	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+H+K"	39.970434
"1457991"	82.017067	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H+K"	39.970434
"249143"	290.161226	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+ACN+H"	42.033826
"1224889"	166.097526	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+ACN+H"	42.033826
"1206467"	83.552401	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+ACN+2H"	43.041102
"201886"	293.09856	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+2Na-H"	44.97116
"640717"	417.16226	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+2Na-H"	44.97116
"1139122"	169.03486	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2Na-H"	44.97116
"177312"	147.052918	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+2Na"	45.978436
"618694"	209.084768	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+2Na"	45.978436
"1120012"	85.021068	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2Na"	45.978436
"1402807"	57.0164706666667	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H+2Na"	46.985712
"1433830"	171.076446	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H+HCOOH"	47.012746
"223161"	152.08594	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+3H2O+2H"	56.04448
"1512682"	185.12849	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+IsoProp+H"	61.06479
"414188"	155.039888	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+Na+K"	61.952376
"776638"	217.071738	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+Na+K"	61.952376
"1672603"	93.008038	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Na+K"	61.952376
"255115"	312.143168	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+ACN+Na"	64.015768
"1232932"	188.079468	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+ACN+Na"	64.015768
"1720721"	188.102993	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+NH4+HCOOH"	64.039293
"1184988"	64.3437846666667	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+3Na"	68.967654
"1658169"	193.058388	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Na+HCOOH"	68.994688
"168308"	325.04644	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+2K-H"	76.91904
"604593"	449.11014	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+2K-H"	76.91904
"1094573"	200.98274	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2K-H"	76.91904
"152480"	163.026858	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"2M+2K"	77.926316
"592041"	225.058708	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"3M+2K"	77.926316
"1081290"	100.995008	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2K"	77.926316
"1111957"	202.997292	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2K+H"	78.933592
"1346152"	203.084907	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+DMSO+H"	79.021207
"1018936"	207.124076	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2ACN+H"	83.060376
"1538275"	208.117708	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+IsoProp+Na+H"	84.054008
"1004359"	104.065676	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+2ACN+2H"	84.067652
"1595944"	209.032328	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+K+HCOOH"	84.968628
"1421604"	239.063838	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+H+CF3COOH"	115.000138
"1155175"	124.578951	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+3ACN+2H"	125.094202
"1703631"	256.090385	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+NH4+CF3COOH"	132.026685
"1639285"	261.04578	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+Na+CF3COOH"	136.98208
"1574939"	277.01972	"C03007"	"1-(1-Oxopropyl)-1H-imidazole;N-Propanoylimidazole;N-Propionylimidazole"	"C6H8N2O"	"124.0637"	"M+K+CF3COOH"	152.95602
"808586"	509.2697	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M"	0
"975922"	490.25131	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-H2O-H"	-19.01839
"67079"	338.505857333333	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M-3H"	-3.021828
"509918"	508.262424	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M-3H"	-3.021828
"888815"	168.749290666667	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-3H"	-3.021828
"5204"	508.262424	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M-2H"	-2.014552
"455431"	762.897274	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M-2H"	-2.014552
"832622"	253.627574	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-2H"	-2.014552
"92408"	1017.532124	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M-H"	-1.007276
"525406"	1526.801824	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M-H"	-1.007276
"905395"	508.262424	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-H"	-1.007276
"56490"	1034.558671	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M-2H+NH4"	16.019271
"496053"	1543.828371	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M-2H+NH4"	16.019271
"872763"	525.288971	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-2H+NH4"	16.019271
"38476"	1039.514066	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M-2H+Na"	20.974666
"474025"	1548.783766	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M-2H+Na"	20.974666
"851099"	530.244366	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-2H+Na"	20.974666
"1622092"	530.244366	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Na-2H"	20.974666
"95462"	526.250763	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M-H+Cl"	33.962126
"538181"	780.885613	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M-H+Cl"	33.962126
"929508"	271.615913	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-H+Cl"	33.962126
"272440"	1053.508802	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+Cl"	34.969402
"669235"	1562.778502	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+Cl"	34.969402
"1280545"	544.239102	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Cl"	34.969402
"17025"	1055.488006	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M-2H+K"	36.948606
"459380"	1564.757706	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M-2H+K"	36.948606
"835358"	546.218306	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-2H+K"	36.948606
"1559576"	546.218306	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+K-2H"	36.948606
"944542"	554.267894	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-H+HCOOH"	44.998194
"375524"	1063.537601	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+HCOOH-H"	44.998201
"356125"	1077.553251	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+Hac-H"	59.013851
"1501677"	568.283551	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Hac-H"	59.013851
"970313"	576.249851	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-H+NaCOOH"	66.980151
"118126"	544.239102	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+2Cl"	69.938804
"564493"	798.873952	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+2Cl"	69.938804
"1031955"	289.604252	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2Cl"	69.938804
"1255180"	588.188585	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Br"	78.918885
"1317629"	590.244572	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Cl+HCOOH"	80.974872
"1331480"	612.226529	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Cl+NaCOOH"	102.956829
"918165"	622.255286	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M-H+CF3COOH"	112.985586
"1293779"	658.231964	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Cl+CF3COOH"	148.962264
"1374129"	474.257024	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H-2H2O"	-35.012676
"1391627"	492.267	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H-H2O"	-17.0027
"289127"	1019.546676	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+H"	1.007276
"682639"	1528.816376	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+H"	1.007276
"1355709"	510.276976	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H"	1.007276
"129691"	510.276976	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+2H"	2.014552
"567791"	764.911826	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+2H"	2.014552
"1039878"	255.642126	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2H"	2.014552
"209240"	340.520409333333	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+3H"	3.021828
"650989"	510.276976	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+3H"	3.021828
"1169113"	170.763842666667	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+3H"	3.021828
"431292"	1036.573223	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+NH4"	18.033823
"791191"	1545.842923	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+NH4"	18.033823
"1688617"	527.303523	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+NH4"	18.033823
"335801"	518.7902495	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+H+NH4"	19.041099
"733696"	773.4250995	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+H+NH4"	19.041099
"1489704"	264.1553995	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H+NH4"	19.041099
"406933"	1041.528618	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+Na"	22.989218
"769023"	1550.798318	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+Na"	22.989218
"1617483"	532.258918	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Na"	22.989218
"329465"	521.267947	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+H+Na"	23.996494
"716657"	775.902797	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+H+Na"	23.996494
"1471572"	266.633097	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H+Na"	23.996494
"1066643"	178.091156666667	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2H+Na"	25.00377
"1271602"	542.303186	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+CH3OH+H"	33.033486
"389447"	1057.502558	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+K"	38.963158
"753929"	1566.772258	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+K"	38.963158
"1551402"	548.232858	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+K"	38.963158
"307483"	529.254917	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+H+K"	39.970434
"702094"	783.889767	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+H+K"	39.970434
"1459193"	274.620067	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H+K"	39.970434
"247794"	1060.573226	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+ACN+H"	42.033826
"1222325"	551.303526	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+ACN+H"	42.033826
"1207303"	276.155401	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+ACN+2H"	43.041102
"200538"	1063.51056	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+2Na-H"	44.97116
"639005"	1572.78026	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+2Na-H"	44.97116
"1142512"	554.24086	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2Na-H"	44.97116
"182525"	532.258918	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+2Na"	45.978436
"620991"	786.893768	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+2Na"	45.978436
"1120486"	277.624068	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2Na"	45.978436
"1403281"	185.418470666667	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H+2Na"	46.985712
"1432483"	556.282446	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H+HCOOH"	47.012746
"223273"	537.29194	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+3H2O+2H"	56.04448
"1512428"	570.33449	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+IsoProp+H"	61.06479
"413206"	540.245888	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+Na+K"	61.952376
"775291"	794.880738	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+Na+K"	61.952376
"1671619"	285.611038	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Na+K"	61.952376
"257048"	1082.555168	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+ACN+Na"	64.015768
"1230126"	573.285468	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+ACN+Na"	64.015768
"1718645"	573.308993	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+NH4+HCOOH"	64.039293
"1184005"	192.745784666667	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+3Na"	68.967654
"1656457"	578.264388	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Na+HCOOH"	68.994688
"164046"	1095.45844	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+2K-H"	76.91904
"602881"	1604.72814	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+2K-H"	76.91904
"1094683"	586.18874	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2K-H"	76.91904
"150401"	548.232858	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"2M+2K"	77.926316
"589963"	802.867708	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"3M+2K"	77.926316
"1078848"	293.598008	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2K"	77.926316
"1109880"	588.203292	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2K+H"	78.933592
"1345169"	588.290907	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+DMSO+H"	79.021207
"1015887"	592.330076	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2ACN+H"	83.060376
"1537292"	593.323708	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+IsoProp+Na+H"	84.054008
"1002645"	296.668676	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+2ACN+2H"	84.067652
"1597148"	594.238328	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+K+HCOOH"	84.968628
"1419527"	624.269838	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+H+CF3COOH"	115.000138
"1151275"	317.181951	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+3ACN+2H"	125.094202
"1705928"	641.296385	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+NH4+CF3COOH"	132.026685
"1638302"	646.25178	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+Na+CF3COOH"	136.98208
"1572862"	662.22572	"C03010"	"N3-Acetyltobramycin"	"C20H39N5O10"	"509.2697"	"M+K+CF3COOH"	152.95602
"802136"	160.0524	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M"	0
"976030"	141.03401	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H2O-H"	-19.01839
"66098"	105.694324	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-3H"	-3.021828
"504198"	159.045124	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-3H"	-3.021828
"883457"	52.343524	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-3H"	-3.021828
"12978"	159.045124	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H"	-2.014552
"453269"	239.071324	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H"	-2.014552
"829245"	79.018924	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H"	-2.014552
"84863"	319.097524	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-H"	-1.007276
"532078"	479.149924	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-H"	-1.007276
"906600"	159.045124	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H"	-1.007276
"51132"	336.124071	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H+NH4"	16.019271
"492884"	496.176471	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H+NH4"	16.019271
"873965"	176.071671	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H+NH4"	16.019271
"36398"	341.079466	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H+Na"	20.974666
"473406"	501.131866	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H+Na"	20.974666
"851208"	181.027066	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H+Na"	20.974666
"1622199"	181.027066	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na-2H"	20.974666
"97638"	177.033463	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-H+Cl"	33.962126
"535375"	257.059663	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-H+Cl"	33.962126
"929252"	97.007263	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+Cl"	33.962126
"269633"	355.074202	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Cl"	34.969402
"662782"	515.126602	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+Cl"	34.969402
"1277376"	195.021802	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl"	34.969402
"17863"	357.053406	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H+K"	36.948606
"457667"	517.105806	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H+K"	36.948606
"835103"	197.001006	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H+K"	36.948606
"1558592"	197.001006	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K-2H"	36.948606
"957668"	205.050594	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+HCOOH"	44.998194
"374906"	365.103001	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+HCOOH-H"	44.998201
"356235"	379.118651	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Hac-H"	59.013851
"1507256"	219.066251	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Hac-H"	59.013851
"969329"	227.032551	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+NaCOOH"	66.980151
"124797"	195.021802	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2Cl"	69.938804
"562903"	275.048002	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2Cl"	69.938804
"1030972"	114.995602	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2Cl"	69.938804
"1255291"	238.971285	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Br"	78.918885
"1317376"	241.027272	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl+HCOOH"	80.974872
"1333412"	263.009229	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl+NaCOOH"	102.956829
"918274"	273.037986	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+CF3COOH"	112.985586
"1291335"	309.014664	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl+CF3COOH"	148.962264
"1370955"	125.039724	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H-2H2O"	-35.012676
"1391734"	143.0497	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H-H2O"	-17.0027
"292514"	321.112076	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H"	1.007276
"681659"	481.164476	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H"	1.007276
"1353997"	161.059676	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H"	1.007276
"127979"	161.059676	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2H"	2.014552
"571557"	241.085876	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2H"	2.014552
"1040352"	81.033476	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2H"	2.014552
"208618"	107.708876	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+3H"	3.021828
"648909"	161.059676	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+3H"	3.021828
"1167034"	54.358076	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+3H"	3.021828
"425201"	338.138623	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+NH4"	18.033823
"790208"	498.191023	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+NH4"	18.033823
"1688726"	178.086223	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+NH4"	18.033823
"332992"	169.5729495	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H+NH4"	19.041099
"725415"	249.5991495	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H+NH4"	19.041099
"1491516"	89.5467495	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+NH4"	19.041099
"408135"	343.094018	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Na"	22.989218
"768766"	503.146418	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+Na"	22.989218
"1618355"	183.041618	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na"	22.989218
"329084"	172.050647	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H+Na"	23.996494
"719682"	252.076847	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H+Na"	23.996494
"1476060"	92.024447	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+Na"	23.996494
"1066753"	61.68539	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2H+Na"	25.00377
"1268796"	193.085886	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+CH3OH+H"	33.033486
"387370"	359.067958	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+K"	38.963158
"750552"	519.120358	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+K"	38.963158
"1551148"	199.015558	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K"	38.963158
"309052"	180.037617	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H+K"	39.970434
"702933"	260.063817	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H+K"	39.970434
"1458210"	100.011417	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+K"	39.970434
"247540"	362.138626	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+ACN+H"	42.033826
"1221706"	202.086226	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+ACN+H"	42.033826
"1207049"	101.546751	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+ACN+2H"	43.041102
"200648"	365.07596	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2Na-H"	44.97116
"638023"	525.12836	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2Na-H"	44.97116
"1138979"	205.02356	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2Na-H"	44.97116
"181541"	183.041618	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2Na"	45.978436
"616727"	263.067818	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2Na"	45.978436
"1124606"	103.015418	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2Na"	45.978436
"1399501"	69.012704	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+2Na"	46.985712
"1432593"	207.065146	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+HCOOH"	47.012746
"225569"	188.07464	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+3H2O+2H"	56.04448
"1516910"	221.11719	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+IsoProp+H"	61.06479
"412223"	191.028588	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Na+K"	61.952376
"773214"	271.054788	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+Na+K"	61.952376
"1668819"	111.002388	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na+K"	61.952376
"254247"	384.120568	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+ACN+Na"	64.015768
"1228412"	224.068168	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+ACN+Na"	64.015768
"1716574"	224.091693	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+NH4+HCOOH"	64.039293
"1186312"	76.340018	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+3Na"	68.967654
"1655473"	229.047088	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na+HCOOH"	68.994688
"164162"	397.02384	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2K-H"	76.91904
"603720"	557.07624	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2K-H"	76.91904
"1092606"	236.97144	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2K-H"	76.91904
"149423"	199.015558	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2K"	77.926316
"592265"	279.041758	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2K"	77.926316
"1082247"	118.989358	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2K"	77.926316
"1114242"	238.985992	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2K+H"	78.933592
"1345282"	239.073607	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+DMSO+H"	79.021207
"1014904"	243.112776	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2ACN+H"	83.060376
"1534122"	244.106408	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+IsoProp+Na+H"	84.054008
"999474"	122.060026	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2ACN+2H"	84.067652
"1591791"	245.021028	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K+HCOOH"	84.968628
"1417455"	275.052538	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+CF3COOH"	115.000138
"1152114"	142.573301	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+3ACN+2H"	125.094202
"1701670"	292.079085	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+NH4+CF3COOH"	132.026685
"1640603"	297.03448	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na+CF3COOH"	136.98208
"1575160"	313.00842	"C03012"	"Naphthalene-12-diol;12-Naphthalenediol;beta-Naphthohydroquinone;12-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K+CF3COOH"	152.95602
"805526"	148.0484	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M"	0
"976868"	129.03001	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-H2O-H"	-19.01839
"65115"	97.6916573333333	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M-3H"	-3.021828
"503944"	147.041124	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M-3H"	-3.021828
"885754"	48.3421906666667	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-3H"	-3.021828
"11995"	147.041124	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M-2H"	-2.014552
"452286"	221.065324	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M-2H"	-2.014552
"827169"	73.016924	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-2H"	-2.014552
"88253"	295.089524	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M-H"	-1.007276
"532188"	443.137924	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M-H"	-1.007276
"906710"	147.041124	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-H"	-1.007276
"48693"	312.116071	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M-2H+NH4"	16.019271
"492994"	460.164471	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M-2H+NH4"	16.019271
"872982"	164.067671	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-2H+NH4"	16.019271
"35415"	317.071466	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M-2H+Na"	20.974666
"476068"	465.119866	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M-2H+Na"	20.974666
"853870"	169.023066	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-2H+Na"	20.974666
"1627776"	169.023066	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Na-2H"	20.974666
"98837"	165.029463	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M-H+Cl"	33.962126
"534870"	239.053663	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M-H+Cl"	33.962126
"927540"	91.005263	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-H+Cl"	33.962126
"272656"	331.066202	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+Cl"	34.969402
"662891"	479.114602	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+Cl"	34.969402
"1276390"	183.017802	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Cl"	34.969402
"17853"	333.045406	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M-2H+K"	36.948606
"456683"	481.093806	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M-2H+K"	36.948606
"833470"	184.997006	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-2H+K"	36.948606
"1556554"	184.997006	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+K-2H"	36.948606
"957167"	193.046594	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-H+HCOOH"	44.998194
"374650"	341.095001	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+HCOOH-H"	44.998201
"354158"	355.110651	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+Hac-H"	59.013851
"1500802"	207.062251	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Hac-H"	59.013851
"968346"	215.028551	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-H+NaCOOH"	66.980151
"117253"	183.017802	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+2Cl"	69.938804
"563377"	257.042002	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+2Cl"	69.938804
"1035455"	108.993602	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2Cl"	69.938804
"1256129"	226.967285	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Br"	78.918885
"1318579"	229.023272	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Cl+HCOOH"	80.974872
"1331701"	251.005229	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Cl+NaCOOH"	102.956829
"920573"	261.033986	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M-H+CF3COOH"	112.985586
"1292540"	297.010664	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Cl+CF3COOH"	148.962264
"1374350"	113.035724	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H-2H2O"	-35.012676
"1387473"	131.0457	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H-H2O"	-17.0027
"289347"	297.104076	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+H"	1.007276
"680674"	445.152476	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+H"	1.007276
"1359212"	149.055676	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H"	1.007276
"129182"	149.055676	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+2H"	2.014552
"570573"	223.079876	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+2H"	2.014552
"1039370"	75.031476	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2H"	2.014552
"205812"	99.7062093333333	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+3H"	3.021828
"646831"	149.055676	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+3H"	3.021828
"1167144"	50.3567426666667	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+3H"	3.021828
"425551"	314.130623	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+NH4"	18.033823
"791413"	462.179023	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+NH4"	18.033823
"1685555"	166.082223	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+NH4"	18.033823
"333105"	157.5689495	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+H+NH4"	19.041099
"727352"	231.5931495	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+H+NH4"	19.041099
"1487737"	83.5447495	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H+NH4"	19.041099
"407153"	319.086018	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+Na"	22.989218
"769692"	467.134418	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+Na"	22.989218
"1615883"	171.037618	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Na"	22.989218
"328469"	160.046647	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+H+Na"	23.996494
"721621"	234.070847	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+H+Na"	23.996494
"1476894"	86.022447	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H+Na"	23.996494
"1068163"	57.6840566666667	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2H+Na"	25.00377
"1272441"	181.081886	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+CH3OH+H"	33.033486
"392730"	335.059958	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+K"	38.963158
"753215"	483.108358	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+K"	38.963158
"1554175"	187.011558	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+K"	38.963158
"309892"	168.033617	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+H+K"	39.970434
"704136"	242.057817	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+H+K"	39.970434
"1457228"	94.009417	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H+K"	39.970434
"249596"	338.130626	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+ACN+H"	42.033826
"1222792"	190.082226	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+ACN+H"	42.033826
"1208133"	95.544751	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+ACN+2H"	43.041102
"202707"	341.06796	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+2Na-H"	44.97116
"635947"	489.11636	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+2Na-H"	44.97116
"1141641"	193.01956	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2Na-H"	44.97116
"178371"	171.037618	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+2Na"	45.978436
"619025"	245.061818	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+2Na"	45.978436
"1123623"	97.013418	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2Na"	45.978436
"1403868"	65.0113706666667	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H+2Na"	46.985712
"1434891"	195.061146	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H+HCOOH"	47.012746
"225678"	176.07064	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+3H2O+2H"	56.04448
"1511555"	209.11319	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+IsoProp+H"	61.06479
"413426"	179.024588	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+Na+K"	61.952376
"773326"	253.048788	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+Na+K"	61.952376
"1666744"	105.000388	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Na+K"	61.952376
"254358"	360.112568	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+ACN+Na"	64.015768
"1231077"	212.064168	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+ACN+Na"	64.015768
"1717781"	212.087693	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+NH4+HCOOH"	64.039293
"1188610"	72.3386846666667	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+3Na"	68.967654
"1656312"	217.043088	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Na+HCOOH"	68.994688
"167552"	373.01584	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+2K-H"	76.91904
"603830"	521.06424	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+2K-H"	76.91904
"1093809"	224.96744	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2K-H"	76.91904
"151719"	187.011558	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"2M+2K"	77.926316
"593468"	261.035758	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"3M+2K"	77.926316
"1082360"	112.987358	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2K"	77.926316
"1112287"	226.981992	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2K+H"	78.933592
"1341018"	227.069607	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+DMSO+H"	79.021207
"1018294"	231.108776	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2ACN+H"	83.060376
"1537512"	232.102408	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+IsoProp+Na+H"	84.054008
"1002866"	116.058026	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+2ACN+2H"	84.067652
"1594088"	233.017028	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+K+HCOOH"	84.968628
"1424121"	263.048538	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+H+CF3COOH"	115.000138
"1155504"	136.571301	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+3ACN+2H"	125.094202
"1698863"	280.075085	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+NH4+CF3COOH"	132.026685
"1643993"	285.03048	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+Na+CF3COOH"	136.98208
"1575270"	301.00442	"C03015"	"O-Carbamoyl-L-serine"	"C4H8N2O4"	"148.0484"	"M+K+CF3COOH"	152.95602
"812198"	217.1314	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M"	0
"988652"	198.11301	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-H2O-H"	-19.01839
"71787"	143.746990666667	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M-3H"	-3.021828
"509160"	216.124124	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M-3H"	-3.021828
"894625"	71.3698573333333	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-3H"	-3.021828
"11741"	216.124124	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M-2H"	-2.014552
"450938"	324.689824	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M-2H"	-2.014552
"829466"	107.558424	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-2H"	-2.014552
"91528"	433.255524	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M-H"	-1.007276
"529019"	650.386924	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M-H"	-1.007276
"896984"	216.124124	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-H"	-1.007276
"53546"	450.282071	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M-2H+NH4"	16.019271
"489826"	667.413471	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M-2H+NH4"	16.019271
"867627"	233.150671	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-2H+NH4"	16.019271
"34433"	455.237466	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M-2H+Na"	20.974666
"479461"	672.368866	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M-2H+Na"	20.974666
"857261"	238.106066	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-2H+Na"	20.974666
"1624608"	238.106066	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Na-2H"	20.974666
"97856"	234.112463	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M-H+Cl"	33.962126
"538512"	342.678163	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M-H+Cl"	33.962126
"929838"	125.546763	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-H+Cl"	33.962126
"269490"	469.232202	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+Cl"	34.969402
"672123"	686.363602	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+Cl"	34.969402
"1275410"	252.100802	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Cl"	34.969402
"19058"	471.211406	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M-2H+K"	36.948606
"458617"	688.342806	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M-2H+K"	36.948606
"833132"	254.080006	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-2H+K"	36.948606
"1570370"	254.080006	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+K-2H"	36.948606
"956186"	262.129594	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-H+HCOOH"	44.998194
"374034"	479.261001	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+HCOOH-H"	44.998201
"357550"	493.276651	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+Hac-H"	59.013851
"1503838"	276.145251	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Hac-H"	59.013851
"971740"	284.111551	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-H+NaCOOH"	66.980151
"121746"	252.100802	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+2Cl"	69.938804
"563488"	360.666502	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+2Cl"	69.938804
"1031199"	143.535102	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2Cl"	69.938804
"1254783"	296.050285	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Br"	78.918885
"1316502"	298.106272	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Cl+HCOOH"	80.974872
"1326344"	320.088229	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Cl+NaCOOH"	102.956829
"919588"	330.116986	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M-H+CF3COOH"	112.985586
"1295202"	366.093664	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Cl+CF3COOH"	148.962264
"1370083"	182.118724	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H-2H2O"	-35.012676
"1391953"	200.1287	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H-H2O"	-17.0027
"287267"	435.270076	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+H"	1.007276
"684063"	652.401476	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+H"	1.007276
"1358229"	218.138676	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H"	1.007276
"127231"	218.138676	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+2H"	2.014552
"569586"	326.704376	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+2H"	2.014552
"1038509"	109.572976	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2H"	2.014552
"207380"	145.761542666667	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+3H"	3.021828
"646942"	218.138676	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+3H"	3.021828
"1164578"	73.3844093333333	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+3H"	3.021828
"426879"	452.296623	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+NH4"	18.033823
"787868"	669.428023	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+NH4"	18.033823
"1687855"	235.165223	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+NH4"	18.033823
"335040"	226.6519495	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+H+NH4"	19.041099
"736218"	335.2176495	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+H+NH4"	19.041099
"1492193"	118.0862495	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H+NH4"	19.041099
"406535"	457.252018	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+Na"	22.989218
"769115"	674.383418	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+Na"	22.989218
"1615629"	240.120618	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Na"	22.989218
"327124"	229.129647	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+H+Na"	23.996494
"719180"	337.695347	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+H+Na"	23.996494
"1471541"	120.563947	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H+Na"	23.996494
"1066610"	80.7117233333333	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2H+Na"	25.00377
"1267923"	250.164886	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+CH3OH+H"	33.033486
"391851"	473.225958	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+K"	38.963158
"753573"	690.357358	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+K"	38.963158
"1553556"	256.094558	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+K"	38.963158
"311096"	237.116617	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+H+K"	39.970434
"705341"	345.682317	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+H+K"	39.970434
"1457338"	128.550917	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H+K"	39.970434
"249223"	476.296626	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+ACN+H"	42.033826
"1221931"	259.165226	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+ACN+H"	42.033826
"1205817"	130.086251	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+ACN+2H"	43.041102
"198685"	479.23396	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+2Na-H"	44.97116
"632781"	696.36536	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+2Na-H"	44.97116
"1137380"	262.10256	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2Na-H"	44.97116
"174349"	240.120618	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+2Na"	45.978436
"614031"	348.686318	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+2Na"	45.978436
"1119361"	131.554918	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2Na"	45.978436
"1402885"	88.0390373333333	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H+2Na"	46.985712
"1432813"	264.144146	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H+HCOOH"	47.012746
"223603"	245.15364	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+3H2O+2H"	56.04448
"1508910"	278.19619	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+IsoProp+H"	61.06479
"410619"	248.107588	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+Na+K"	61.952376
"774534"	356.673288	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+Na+K"	61.952376
"1668680"	139.541888	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Na+K"	61.952376
"254105"	498.278568	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+ACN+Na"	64.015768
"1236663"	281.147168	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+ACN+Na"	64.015768
"1722270"	281.170693	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+NH4+HCOOH"	64.039293
"1186529"	95.3663513333333	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+3Na"	68.967654
"1665054"	286.126088	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Na+HCOOH"	68.994688
"172038"	511.18184	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+2K-H"	76.91904
"605035"	728.31324	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+2K-H"	76.91904
"1091733"	294.05044	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2K-H"	76.91904
"156206"	256.094558	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"2M+2K"	77.926316
"593583"	364.660258	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"3M+2K"	77.926316
"1074814"	147.528858	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2K"	77.926316
"1104013"	296.064992	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2K+H"	78.933592
"1349754"	296.152607	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+DMSO+H"	79.021207
"1012938"	300.191776	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2ACN+H"	83.060376
"1533249"	301.185408	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+IsoProp+Na+H"	84.054008
"995324"	150.599526	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+2ACN+2H"	84.067652
"1594200"	302.100028	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+K+HCOOH"	84.968628
"1422047"	332.131538	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+H+CF3COOH"	115.000138
"1149059"	171.112801	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+3ACN+2H"	125.094202
"1697518"	349.158085	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+NH4+CF3COOH"	132.026685
"1636450"	354.11348	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+Na+CF3COOH"	136.98208
"1573194"	370.08742	"C03017"	"O-Propanoylcarnitine;O-Propionylcarnitine"	"C10H19NO4"	"217.1314"	"M+K+CF3COOH"	152.95602
"812309"	434.2305	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M"	0
"982561"	415.21211	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-H2O-H"	-19.01839
"75178"	288.479724	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M-3H"	-3.021828
"514744"	433.223224	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M-3H"	-3.021828
"891451"	143.736224	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-3H"	-3.021828
"12214"	433.223224	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M-2H"	-2.014552
"453962"	650.338474	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M-2H"	-2.014552
"829940"	216.107974	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-2H"	-2.014552
"87384"	867.453724	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M-H"	-1.007276
"519535"	1301.684224	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M-H"	-1.007276
"896604"	433.223224	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-H"	-1.007276
"47457"	884.480271	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M-2H+NH4"	16.019271
"491026"	1318.710771	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M-2H+NH4"	16.019271
"865670"	450.249771	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-2H+NH4"	16.019271
"34543"	889.435666	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M-2H+Na"	20.974666
"479571"	1323.666166	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M-2H+Na"	20.974666
"854093"	455.205166	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-2H+Na"	20.974666
"1621439"	455.205166	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Na-2H"	20.974666
"97236"	451.211563	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M-H+Cl"	33.962126
"539715"	668.326813	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M-H+Cl"	33.962126
"931043"	234.096313	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-H+Cl"	33.962126
"272883"	903.430402	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+Cl"	34.969402
"673325"	1337.660902	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+Cl"	34.969402
"1279894"	469.199902	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Cl"	34.969402
"22449"	905.409606	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M-2H+K"	36.948606
"463103"	1339.640106	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M-2H+K"	36.948606
"848088"	471.179106	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-2H+K"	36.948606
"1569507"	471.179106	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+K-2H"	36.948606
"956661"	479.228694	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-H+HCOOH"	44.998194
"374147"	913.459201	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+HCOOH-H"	44.998201
"358033"	927.474851	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+Hac-H"	59.013851
"1506135"	493.244351	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Hac-H"	59.013851
"971854"	501.210651	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-H+NaCOOH"	66.980151
"122584"	469.199902	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+2Cl"	69.938804
"562511"	686.315152	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+2Cl"	69.938804
"1031306"	252.084652	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2Cl"	69.938804
"1253070"	513.149385	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Br"	78.918885
"1317704"	515.205372	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Cl+HCOOH"	80.974872
"1324994"	537.187329	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Cl+NaCOOH"	102.956829
"915322"	547.216086	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M-H+CF3COOH"	112.985586
"1294219"	583.192764	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Cl+CF3COOH"	148.962264
"1370194"	399.217824	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H-2H2O"	-35.012676
"1389881"	417.2278	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H-H2O"	-17.0027
"289567"	869.468276	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+H"	1.007276
"685273"	1303.698776	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+H"	1.007276
"1352505"	435.237776	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H"	1.007276
"127948"	435.237776	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+2H"	2.014552
"569331"	652.353026	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+2H"	2.014552
"1038862"	218.122526	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2H"	2.014552
"206032"	290.494276	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+3H"	3.021828
"647051"	435.237776	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+3H"	3.021828
"1164447"	145.750776	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+3H"	3.021828
"426985"	886.494823	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+NH4"	18.033823
"793826"	1320.725323	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+NH4"	18.033823
"1687970"	452.264323	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+NH4"	18.033823
"343906"	443.7510495	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+H+NH4"	19.041099
"735605"	660.8662995	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+H+NH4"	19.041099
"1491612"	226.6357995	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H+NH4"	19.041099
"404094"	891.450218	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+Na"	22.989218
"768609"	1325.680718	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+Na"	22.989218
"1616831"	457.219718	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Na"	22.989218
"329059"	446.228747	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+H+Na"	23.996494
"720018"	663.343997	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+H+Na"	23.996494
"1476156"	229.113497	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H+Na"	23.996494
"1067785"	153.07809	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2H+Na"	25.00377
"1270586"	467.263986	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+CH3OH+H"	33.033486
"392289"	907.424158	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+K"	38.963158
"753686"	1341.654658	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+K"	38.963158
"1555212"	473.193658	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+K"	38.963158
"312792"	454.215717	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+H+K"	39.970434
"705941"	671.330967	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+H+K"	39.970434
"1459635"	237.100467	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H+K"	39.970434
"248968"	910.494826	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+ACN+H"	42.033826
"1224594"	476.264326	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+ACN+H"	42.033826
"1202644"	238.635801	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+ACN+2H"	43.041102
"196608"	913.43216	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+2Na-H"	44.97116
"635077"	1347.66266	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+2Na-H"	44.97116
"1133116"	479.20166	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2Na-H"	44.97116
"172999"	457.219718	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+2Na"	45.978436
"623619"	674.334968	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+2Na"	45.978436
"1126031"	240.104468	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2Na"	45.978436
"1406276"	160.405404	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H+2Na"	46.985712
"1441309"	481.243246	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H+HCOOH"	47.012746
"230273"	462.25274	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+3H2O+2H"	56.04448
"1509587"	495.29529	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+IsoProp+H"	61.06479
"412556"	465.206688	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+Na+K"	61.952376
"775742"	682.321938	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+Na+K"	61.952376
"1667695"	248.091438	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Na+K"	61.952376
"260785"	932.476768	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+ACN+Na"	64.015768
"1235679"	498.246268	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+ACN+Na"	64.015768
"1719097"	498.269793	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+NH4+HCOOH"	64.039293
"1189925"	167.732718	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+3Na"	68.967654
"1664677"	503.225188	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Na+HCOOH"	68.994688
"172396"	945.38004	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+2K-H"	76.91904
"611349"	1379.61054	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+2K-H"	76.91904
"1098408"	511.14954	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2K-H"	76.91904
"156319"	473.193658	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"2M+2K"	77.926316
"584944"	690.308908	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"3M+2K"	77.926316
"1078203"	256.078408	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2K"	77.926316
"1108133"	513.164092	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2K+H"	78.933592
"1348891"	513.251707	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+DMSO+H"	79.021207
"1019609"	517.290876	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2ACN+H"	83.060376
"1533358"	518.284508	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+IsoProp+Na+H"	84.054008
"1003087"	259.149076	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+2ACN+2H"	84.067652
"1594308"	519.199128	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+K+HCOOH"	84.968628
"1421063"	549.230638	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+H+CF3COOH"	115.000138
"1147344"	279.662351	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+3ACN+2H"	125.094202
"1697870"	566.257185	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+NH4+CF3COOH"	132.026685
"1638746"	571.21258	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+Na+CF3COOH"	136.98208
"1575492"	587.18652	"C03019"	"Phorbol 13-butanoate"	"C24H34O7"	"434.2305"	"M+K+CF3COOH"	152.95602
"814977"	330.2195	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M"	0
"975143"	311.20111	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"65454"	219.139057333333	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"503080"	329.212224	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"889382"	109.065890666667	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"9053"	329.212224	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"445332"	494.321974	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"819852"	164.102474	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"79844"	659.431724	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"518585"	989.651224	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"896100"	329.212224	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"47682"	676.458271	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"487729"	1006.677771	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"865047"	346.238771	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"32100"	681.413666	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"473486"	1011.633166	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"853111"	351.194166	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1619117"	351.194166	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"100268"	347.200563	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"544204"	512.310313	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"933346"	182.090813	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"272997"	695.408402	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"665422"	1025.627902	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1282201"	365.188902	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"31203"	697.387606	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"471092"	1027.607106	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"847589"	367.168106	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1569252"	367.168106	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"957631"	375.217694	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"375358"	705.437201	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"359972"	719.452851	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1504795"	389.233351	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"971238"	397.199651	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"122696"	365.188902	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"561527"	530.298652	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1033602"	200.079152	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1247713"	409.138385	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1314535"	411.194372	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1324012"	433.176329	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"918721"	443.205086	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1295433"	479.181764	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1376875"	295.206824	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1389997"	313.2168	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"296610"	661.446276	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"684293"	991.665776	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1360644"	331.226776	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"129158"	331.226776	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"574186"	496.336526	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1042988"	166.117026	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"210889"	221.153609333333	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"650448"	331.226776	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1178473"	111.080442666667	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"439862"	678.472823	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"797222"	1008.692323	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1694648"	348.253323	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"345115"	339.7400495	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"737170"	504.8497995	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1489166"	174.6302995	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"406754"	683.428218	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"767748"	1013.647718	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1615847"	353.208718	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"323697"	342.217747	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"718304"	507.327497	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1475405"	177.107997	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1066341"	118.407756666667	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1269240"	363.252986	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"390732"	699.402158	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"748811"	1029.621658	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1553781"	369.182658	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"310226"	350.204717	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"699366"	515.314467	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1453183"	185.094967	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"242878"	702.472826	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1212671"	372.253326	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1197648"	186.630301	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"190518"	705.41016	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"629473"	1035.62966	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1132248"	375.19066	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"173720"	353.208718	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"613519"	518.318468	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1116416"	188.098968	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1400921"	125.735070666667	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1434131"	377.232246	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"221272"	358.24174	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1511890"	391.28429	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"414862"	361.195688	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"772942"	526.305438	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1673283"	196.085938	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"258710"	724.454768	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1231420"	394.235268	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1721399"	394.258793	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1185662"	133.062384666667	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1651183"	399.214188	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"161324"	737.35804	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"603071"	1067.57754	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1090864"	407.13854	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"144399"	369.182658	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"583233"	534.292408	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1070296"	204.072908	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1104965"	409.153092	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1339163"	409.240707	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1013158"	413.279876	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1529098"	414.273508	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"991416"	207.143576	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1591146"	415.188128	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1414253"	445.219638	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1151468"	227.656851	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1701021"	462.246185	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1641048"	467.20158	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1575604"	483.17552	"C03027"	"Testosterone acetate"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"812535"	505.0113	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M"	0
"986067"	485.99291	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-H2O-H"	-19.01839
"68841"	335.666924	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M-3H"	-3.021828
"504031"	504.004024	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M-3H"	-3.021828
"888399"	167.329824	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-3H"	-3.021828
"5883"	504.004024	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M-2H"	-2.014552
"447627"	756.509674	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M-2H"	-2.014552
"818869"	251.498374	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-2H"	-2.014552
"79339"	1009.015324	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M-H"	-1.007276
"519260"	1514.026624	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M-H"	-1.007276
"896698"	504.004024	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-H"	-1.007276
"48279"	1026.041871	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M-2H+NH4"	16.019271
"488573"	1531.053171	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M-2H+NH4"	16.019271
"865886"	521.030571	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-2H+NH4"	16.019271
"33664"	1030.997266	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M-2H+Na"	20.974666
"472501"	1536.008566	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M-2H+Na"	20.974666
"852127"	525.985966	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-2H+Na"	20.974666
"1619836"	525.985966	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Na-2H"	20.974666
"97097"	521.992363	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M-H+Cl"	33.962126
"542125"	774.498013	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M-H+Cl"	33.962126
"938919"	269.486713	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-H+Cl"	33.962126
"273107"	1044.992002	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+Cl"	34.969402
"666624"	1550.003302	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+Cl"	34.969402
"1277936"	539.980702	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Cl"	34.969402
"29971"	1046.971206	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M-2H+K"	36.948606
"471077"	1551.982506	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M-2H+K"	36.948606
"848254"	541.959906	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-2H+K"	36.948606
"1568269"	541.959906	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+K-2H"	36.948606
"955789"	550.009494	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-H+HCOOH"	44.998194
"376682"	1055.020801	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+HCOOH-H"	44.998201
"360322"	1069.036451	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+Hac-H"	59.013851
"1505268"	564.025151	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Hac-H"	59.013851
"972079"	571.991451	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-H+NaCOOH"	66.980151
"121709"	539.980702	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+2Cl"	69.938804
"557260"	792.486352	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+2Cl"	69.938804
"1030432"	287.475052	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2Cl"	69.938804
"1247822"	583.930185	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Br"	78.918885
"1313552"	585.986172	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Cl+HCOOH"	80.974872
"1324120"	607.968129	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Cl+NaCOOH"	102.956829
"921018"	617.996886	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M-H+CF3COOH"	112.985586
"1295543"	653.973564	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Cl+CF3COOH"	148.962264
"1376985"	469.998624	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H-2H2O"	-35.012676
"1390107"	488.0086	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H-H2O"	-17.0027
"294168"	1011.029876	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+H"	1.007276
"684403"	1516.041176	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+H"	1.007276
"1361847"	506.018576	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H"	1.007276
"127807"	506.018576	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+2H"	2.014552
"572109"	758.524226	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+2H"	2.014552
"1038718"	253.512926	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2H"	2.014552
"205159"	337.681476	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+3H"	3.021828
"654932"	506.018576	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+3H"	3.021828
"1167588"	169.344376	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+3H"	3.021828
"434146"	1028.056423	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+NH4"	18.033823
"801104"	1533.067723	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+NH4"	18.033823
"1695124"	523.045123	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+NH4"	18.033823
"342671"	514.5318495	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+H+NH4"	19.041099
"736185"	767.0374995	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+H+NH4"	19.041099
"1485995"	262.0261995	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H+NH4"	19.041099
"402487"	1033.011818	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+Na"	22.989218
"766762"	1538.023118	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+Na"	22.989218
"1614861"	528.000518	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Na"	22.989218
"325990"	517.009547	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+H+Na"	23.996494
"718413"	769.515197	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+H+Na"	23.996494
"1473326"	264.503897	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H+Na"	23.996494
"1062196"	176.67169	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2H+Na"	25.00377
"1272181"	538.044786	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+CH3OH+H"	33.033486
"391201"	1048.985758	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+K"	38.963158
"752197"	1553.997058	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+K"	38.963158
"1553891"	543.974458	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+K"	38.963158
"311431"	524.996517	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+H+K"	39.970434
"696196"	777.502167	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+H+K"	39.970434
"1450378"	272.490867	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H+K"	39.970434
"240801"	1052.056426	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+ACN+H"	42.033826
"1212782"	547.045126	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+ACN+H"	42.033826
"1196301"	274.026201	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+ACN+2H"	43.041102
"190993"	1054.99376	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+2Na-H"	44.97116
"630069"	1560.00506	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+2Na-H"	44.97116
"1132605"	549.98246	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2Na-H"	44.97116
"173830"	528.000518	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+2Na"	45.978436
"613994"	780.506168	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+2Na"	45.978436
"1116652"	275.494868	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2Na"	45.978436
"1400422"	183.999004	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H+2Na"	46.985712
"1430349"	552.024046	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H+HCOOH"	47.012746
"221013"	533.03354	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+3H2O+2H"	56.04448
"1510905"	566.07609	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+IsoProp+H"	61.06479
"414971"	535.987488	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+Na+K"	61.952376
"774875"	788.493138	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+Na+K"	61.952376
"1671205"	283.481838	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Na+K"	61.952376
"263193"	1074.038368	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+ACN+Na"	64.015768
"1232621"	569.027068	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+ACN+Na"	64.015768
"1723696"	569.050593	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+NH4+HCOOH"	64.039293
"1187958"	191.326318	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+3Na"	68.967654
"1652387"	574.005988	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Na+HCOOH"	68.994688
"161434"	1086.94164	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+2K-H"	76.91904
"599901"	1591.95294	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+2K-H"	76.91904
"1090974"	581.93034	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2K-H"	76.91904
"144871"	543.974458	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"2M+2K"	77.926316
"583705"	796.480108	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"3M+2K"	77.926316
"1071499"	291.468808	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2K"	77.926316
"1107261"	583.944892	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2K+H"	78.933592
"1338179"	584.032507	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+DMSO+H"	79.021207
"1013268"	588.071676	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2ACN+H"	83.060376
"1527022"	589.065308	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+IsoProp+Na+H"	84.054008
"990673"	294.539476	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+2ACN+2H"	84.067652
"1592349"	589.979928	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+K+HCOOH"	84.968628
"1414966"	620.011438	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+H+CF3COOH"	115.000138
"1148297"	315.052751	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+3ACN+2H"	125.094202
"1698943"	637.037985	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+NH4+CF3COOH"	132.026685
"1641158"	641.99338	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+Na+CF3COOH"	136.98208
"1572434"	657.96732	"C03028"	"Thiamin triphosphate;Thiamine triphosphate"	"C12H20N4O10P3S"	"505.0113"	"M+K+CF3COOH"	152.95602
"813740"	156.0171	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M"	0
"986177"	136.99871	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-H2O-H"	-19.01839
"66767"	103.004124	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M-3H"	-3.021828
"512893"	155.009824	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M-3H"	-3.021828
"890697"	50.998424	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-3H"	-3.021828
"5993"	155.009824	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M-2H"	-2.014552
"447737"	233.018374	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M-2H"	-2.014552
"818369"	77.001274	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-2H"	-2.014552
"79572"	311.026924	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M-H"	-1.007276
"518888"	467.044024	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M-H"	-1.007276
"896205"	155.009824	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-H"	-1.007276
"47583"	328.053471	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M-2H+NH4"	16.019271
"487711"	484.070571	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M-2H+NH4"	16.019271
"865150"	172.036371	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-2H+NH4"	16.019271
"34874"	333.008866	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M-2H+Na"	20.974666
"475528"	489.025966	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M-2H+Na"	20.974666
"850048"	176.991766	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-2H+Na"	20.974666
"1622864"	176.991766	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Na-2H"	20.974666
"96114"	172.998163	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M-H+Cl"	33.962126
"542235"	251.006713	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M-H+Cl"	33.962126
"931382"	94.989613	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-H+Cl"	33.962126
"269573"	347.003602	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+Cl"	34.969402
"664913"	503.020702	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+Cl"	34.969402
"1276222"	190.986502	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Cl"	34.969402
"23883"	348.982806	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M-2H+K"	36.948606
"468548"	504.999906	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M-2H+K"	36.948606
"848018"	192.965706	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-2H+K"	36.948606
"1570653"	192.965706	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+K-2H"	36.948606
"955534"	201.015294	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-H+HCOOH"	44.998194
"376674"	357.032401	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+HCOOH-H"	44.998201
"358727"	371.048051	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+Hac-H"	59.013851
"1506466"	215.030951	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Hac-H"	59.013851
"972555"	222.997251	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-H+NaCOOH"	66.980151
"120730"	190.986502	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+2Cl"	69.938804
"562475"	268.995052	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+2Cl"	69.938804
"1032732"	112.977952	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2Cl"	69.938804
"1251214"	234.935985	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Br"	78.918885
"1310379"	236.991972	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Cl+HCOOH"	80.974872
"1334082"	258.973929	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Cl+NaCOOH"	102.956829
"924411"	269.002686	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M-H+CF3COOH"	112.985586
"1300758"	304.979364	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Cl+CF3COOH"	148.962264
"1382484"	121.004424	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H-2H2O"	-35.012676
"1398198"	139.0144	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H-H2O"	-17.0027
"294279"	313.041476	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+H"	1.007276
"690711"	469.058576	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+H"	1.007276
"1358676"	157.024376	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H"	1.007276
"135939"	157.024376	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+2H"	2.014552
"574406"	235.032926	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+2H"	2.014552
"1044299"	79.015826	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2H"	2.014552
"213294"	105.018676	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+3H"	3.021828
"655042"	157.024376	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+3H"	3.021828
"1170983"	53.012976	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+3H"	3.021828
"438274"	330.068023	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+NH4"	18.033823
"798904"	486.085123	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+NH4"	18.033823
"1694503"	174.050923	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+NH4"	18.033823
"342052"	165.5376495	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+H+NH4"	19.041099
"734473"	243.5461995	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+H+NH4"	19.041099
"1491573"	87.5290995	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H+NH4"	19.041099
"404784"	335.023418	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+Na"	22.989218
"767965"	491.040518	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+Na"	22.989218
"1616064"	179.006318	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Na"	22.989218
"326101"	168.015347	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+H+Na"	23.996494
"718526"	246.023897	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+H+Na"	23.996494
"1469066"	90.006797	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H+Na"	23.996494
"1068023"	60.34029	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2H+Na"	25.00377
"1270187"	189.050586	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+CH3OH+H"	33.033486
"390948"	350.997358	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+K"	38.963158
"752307"	507.014458	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+K"	38.963158
"1552179"	194.980258	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+K"	38.963158
"311538"	176.002317	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+H+K"	39.970434
"699587"	254.010867	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+H+K"	39.970434
"1450125"	97.993767	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H+K"	39.970434
"242008"	354.068026	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+ACN+H"	42.033826
"1216903"	198.050926	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+ACN+H"	42.033826
"1196415"	99.529101	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+ACN+2H"	43.041102
"190381"	357.00536	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+2Na-H"	44.97116
"632128"	513.02246	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+2Na-H"	44.97116
"1134539"	200.98826	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2Na-H"	44.97116
"172960"	179.006318	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+2Na"	45.978436
"614106"	257.014868	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+2Na"	45.978436
"1115809"	100.997768	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2Na"	45.978436
"1398826"	67.667604	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H+2Na"	46.985712
"1430454"	203.029846	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H+HCOOH"	47.012746
"223317"	184.03934	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+3H2O+2H"	56.04448
"1509558"	217.08189	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+IsoProp+H"	61.06479
"411069"	186.993288	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+Na+K"	61.952376
"776078"	265.001838	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+Na+K"	61.952376
"1674595"	108.984738	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Na+K"	61.952376
"255648"	376.049968	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+ACN+Na"	64.015768
"1231636"	220.032868	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+ACN+Na"	64.015768
"1721620"	220.056393	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+NH4+HCOOH"	64.039293
"1191352"	74.994918	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+3Na"	68.967654
"1657964"	225.011788	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Na+HCOOH"	68.994688
"162639"	388.95324	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+2K-H"	76.91904
"604387"	544.97034	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+2K-H"	76.91904
"1088899"	232.93614	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2K-H"	76.91904
"146808"	194.980258	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"2M+2K"	77.926316
"585275"	272.988808	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"3M+2K"	77.926316
"1073070"	116.971708	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2K"	77.926316
"1106281"	234.950692	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2K+H"	78.933592
"1342664"	235.038307	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+DMSO+H"	79.021207
"1011192"	239.077476	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2ACN+H"	83.060376
"1528224"	240.071108	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+IsoProp+Na+H"	84.054008
"994675"	120.042376	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+2ACN+2H"	84.067652
"1592460"	240.985728	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+K+HCOOH"	84.968628
"1421402"	271.017238	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+H+CF3COOH"	115.000138
"1152786"	140.555651	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+3ACN+2H"	125.094202
"1703429"	288.043785	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+NH4+CF3COOH"	132.026685
"1635801"	292.99918	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+Na+CF3COOH"	136.98208
"1575828"	308.97312	"C03030"	"Uracil 5-carboxylate;Uracil 5-carboxylic acid;5-Carboxyuracil"	"C5H4N2O4"	"156.0171"	"M+K+CF3COOH"	152.95602
"806194"	324.0359	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M"	0
"979726"	305.01751	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H2O-H"	-19.01839
"74530"	215.016657333333	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-3H"	-3.021828
"508630"	323.028624	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-3H"	-3.021828
"884245"	107.004690666667	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-3H"	-3.021828
"5005"	323.028624	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H"	-2.014552
"445659"	485.046574	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H"	-2.014552
"817629"	161.010674	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H"	-2.014552
"79803"	647.064524	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-H"	-1.007276
"519853"	971.100424	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-H"	-1.007276
"900813"	323.028624	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H"	-1.007276
"54093"	664.091071	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+NH4"	16.019271
"488188"	988.126971	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+NH4"	16.019271
"867081"	340.055171	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+NH4"	16.019271
"32793"	669.046466	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+Na"	20.974666
"472718"	993.082366	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+Na"	20.974666
"848941"	345.010566	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+Na"	20.974666
"1620785"	345.010566	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na-2H"	20.974666
"94514"	341.016963	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-H+Cl"	33.962126
"535050"	503.034913	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-H+Cl"	33.962126
"928207"	178.999013	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+Cl"	33.962126
"268222"	683.041202	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Cl"	34.969402
"660643"	1007.077102	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Cl"	34.969402
"1278882"	359.005302	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl"	34.969402
"18521"	685.020406	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M-2H+K"	36.948606
"464645"	1009.056306	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M-2H+K"	36.948606
"840261"	360.984506	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-2H+K"	36.948606
"1557549"	360.984506	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K-2H"	36.948606
"947985"	369.034094	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+HCOOH"	44.998194
"370942"	693.070001	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+HCOOH-H"	44.998201
"354826"	707.085651	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Hac-H"	59.013851
"1500379"	383.049751	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Hac-H"	59.013851
"966827"	391.016051	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+NaCOOH"	66.980151
"120108"	359.005302	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Cl"	69.938804
"561856"	521.023252	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Cl"	69.938804
"1030653"	196.987352	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Cl"	69.938804
"1251324"	402.954785	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Br"	78.918885
"1307936"	405.010772	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+HCOOH"	80.974872
"1332004"	426.992729	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+NaCOOH"	102.956829
"921240"	437.021486	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M-H+CF3COOH"	112.985586
"1300867"	472.998164	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Cl+CF3COOH"	148.962264
"1380486"	289.023224	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H-2H2O"	-35.012676
"1398257"	307.0332	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H-H2O"	-17.0027
"291109"	649.079076	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H"	1.007276
"688998"	973.114976	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H"	1.007276
"1358786"	325.043176	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H"	1.007276
"136049"	325.043176	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2H"	2.014552
"574516"	487.061126	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2H"	2.014552
"1046596"	163.025226	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2H"	2.014552
"212311"	217.031209333333	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+3H"	3.021828
"656247"	325.043176	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+3H"	3.021828
"1173280"	109.019242666667	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3H"	3.021828
"439356"	666.105623	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+NH4"	18.033823
"800834"	990.141523	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+NH4"	18.033823
"1694612"	342.069723	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4"	18.033823
"341798"	333.5564495	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+NH4"	19.041099
"733490"	495.5743995	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+NH4"	19.041099
"1488402"	171.5384995	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+NH4"	19.041099
"404894"	671.061018	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Na"	22.989218
"769417"	995.096918	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Na"	22.989218
"1615081"	347.025118	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na"	22.989218
"326210"	336.034147	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+Na"	23.996494
"718636"	498.052097	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+Na"	23.996494
"1471363"	174.016197	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+Na"	23.996494
"1066431"	116.346556666667	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2H+Na"	25.00377
"1270297"	357.069386	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+CH3OH+H"	33.033486
"388142"	687.034958	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+K"	38.963158
"750230"	1011.070858	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+K"	38.963158
"1551925"	362.999058	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K"	38.963158
"307274"	344.021117	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+H+K"	39.970434
"697509"	506.039067	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+H+K"	39.970434
"1449142"	182.003167	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+K"	39.970434
"242118"	690.105626	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+ACN+H"	42.033826
"1215920"	366.069726	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+H"	42.033826
"1197618"	183.538501	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+2H"	43.041102
"188610"	693.04296	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Na-H"	44.97116
"632238"	1017.07886	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Na-H"	44.97116
"1134649"	369.00706	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Na-H"	44.97116
"173192"	347.025118	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2Na"	45.978436
"614214"	509.043068	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2Na"	45.978436
"1115669"	185.007168	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2Na"	45.978436
"1398540"	123.673870666667	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+2Na"	46.985712
"1430032"	371.048646	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+HCOOH"	47.012746
"220061"	352.05814	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+3H2O+2H"	56.04448
"1509668"	385.10069	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+H"	61.06479
"410814"	355.012088	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+Na+K"	61.952376
"773272"	517.030038	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+Na+K"	61.952376
"1674705"	192.994138	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+K"	61.952376
"255758"	712.087568	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+ACN+Na"	64.015768
"1230651"	388.051668	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+ACN+Na"	64.015768
"1720636"	388.075193	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4+HCOOH"	64.039293
"1191462"	131.001184666667	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3Na"	68.967654
"1658074"	393.030588	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+HCOOH"	68.994688
"162749"	724.99084	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2K-H"	76.91904
"602309"	1049.02674	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2K-H"	76.91904
"1090103"	400.95494	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K-H"	76.91904
"145825"	362.999058	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"2M+2K"	77.926316
"584654"	525.017008	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"3M+2K"	77.926316
"1072084"	200.981108	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K"	77.926316
"1109671"	402.969492	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2K+H"	78.933592
"1341681"	403.057107	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+DMSO+H"	79.021207
"1009116"	407.096276	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2ACN+H"	83.060376
"1529427"	408.089908	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+IsoProp+Na+H"	84.054008
"994786"	204.051776	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+2ACN+2H"	84.067652
"1594757"	409.004528	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K+HCOOH"	84.968628
"1420419"	439.036038	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+H+CF3COOH"	115.000138
"1159456"	224.565051	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+3ACN+2H"	125.094202
"1703539"	456.062585	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+NH4+CF3COOH"	132.026685
"1635911"	461.01798	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+Na+CF3COOH"	136.98208
"1575938"	476.99192	"C03031"	"Uridine 2-phosphate"	"C9H13N2O9P"	"324.0359"	"M+K+CF3COOH"	152.95602
"803024"	336.1474	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M"	0
"974490"	317.12901	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-H2O-H"	-19.01839
"71360"	223.090990666667	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M-3H"	-3.021828
"508740"	335.140124	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M-3H"	-3.021828
"881075"	111.041857333333	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-3H"	-3.021828
"5115"	335.140124	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M-2H"	-2.014552
"442488"	503.213824	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M-2H"	-2.014552
"820290"	167.066424	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-2H"	-2.014552
"80281"	671.287524	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M-H"	-1.007276
"520935"	1007.434924	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M-H"	-1.007276
"898735"	335.140124	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-H"	-1.007276
"53110"	688.314071	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M-2H+NH4"	16.019271
"488298"	1024.461471	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M-2H+NH4"	16.019271
"877275"	352.166671	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-2H+NH4"	16.019271
"37278"	693.269466	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M-2H+Na"	20.974666
"471851"	1029.416866	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M-2H+Na"	20.974666
"848803"	357.122066	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-2H+Na"	20.974666
"1618949"	357.122066	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Na-2H"	20.974666
"96331"	353.128463	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M-H+Cl"	33.962126
"534385"	521.202163	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M-H+Cl"	33.962126
"929046"	185.054763	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-H+Cl"	33.962126
"269791"	707.264202	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+Cl"	34.969402
"660671"	1043.411602	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+Cl"	34.969402
"1276075"	371.116802	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Cl"	34.969402
"17414"	709.243406	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M-2H+K"	36.948606
"463296"	1045.390806	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M-2H+K"	36.948606
"842557"	373.096006	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-2H+K"	36.948606
"1559845"	373.096006	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+K-2H"	36.948606
"949552"	381.145594	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-H+HCOOH"	44.998194
"368864"	717.293001	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+HCOOH-H"	44.998201
"352747"	731.308651	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+Hac-H"	59.013851
"1501582"	395.161251	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Hac-H"	59.013851
"965111"	403.127551	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-H+NaCOOH"	66.980151
"116934"	371.116802	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+2Cl"	69.938804
"558683"	539.190502	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+2Cl"	69.938804
"1029670"	203.043102	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2Cl"	69.938804
"1248153"	415.066285	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Br"	78.918885
"1305980"	417.122272	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Cl+HCOOH"	80.974872
"1332114"	439.104229	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Cl+NaCOOH"	102.956829
"919162"	449.132986	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M-H+CF3COOH"	112.985586
"1298061"	485.109664	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Cl+CF3COOH"	148.962264
"1380232"	301.134724	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H-2H2O"	-35.012676
"1397974"	319.1447	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H-H2O"	-17.0027
"294499"	673.302076	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+H"	1.007276
"685828"	1009.449476	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+H"	1.007276
"1358896"	337.154676	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H"	1.007276
"132878"	337.154676	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+2H"	2.014552
"570252"	505.228376	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+2H"	2.014552
"1044519"	169.080976	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2H"	2.014552
"212421"	225.105542666667	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+3H"	3.021828
"655262"	337.154676	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+3H"	3.021828
"1173390"	113.056409333333	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+3H"	3.021828
"438491"	690.328623	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+NH4"	18.033823
"800459"	1026.476023	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+NH4"	18.033823
"1696181"	354.181223	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+NH4"	18.033823
"345192"	345.6679495	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+H+NH4"	19.041099
"735787"	513.7416495	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+H+NH4"	19.041099
"1491307"	177.5942495	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H+NH4"	19.041099
"405004"	695.284018	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+Na"	22.989218
"769040"	1031.431418	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+Na"	22.989218
"1617256"	359.136618	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Na"	22.989218
"328143"	348.145647	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+H+Na"	23.996494
"713277"	516.219347	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+H+Na"	23.996494
"1467096"	180.071947	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H+Na"	23.996494
"1063622"	120.383723333333	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2H+Na"	25.00377
"1268582"	369.180886	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+CH3OH+H"	33.033486
"384972"	711.257958	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+K"	38.963158
"749247"	1047.405358	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+K"	38.963158
"1552395"	375.110558	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+K"	38.963158
"304105"	356.132617	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+H+K"	39.970434
"693245"	524.206317	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+H+K"	39.970434
"1449253"	188.058917	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H+K"	39.970434
"242229"	714.328626	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+ACN+H"	42.033826
"1211657"	378.181226	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+ACN+H"	42.033826
"1197728"	189.594251	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+ACN+2H"	43.041102
"192058"	717.26596	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+2Na-H"	44.97116
"632712"	1053.41336	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+2Na-H"	44.97116
"1131965"	381.11856	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2Na-H"	44.97116
"173344"	359.136618	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+2Na"	45.978436
"613191"	527.210318	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+2Na"	45.978436
"1116051"	191.062918	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2Na"	45.978436
"1400385"	127.711037333333	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H+2Na"	46.985712
"1430312"	383.160146	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H+HCOOH"	47.012746
"221103"	364.16964	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+3H2O+2H"	56.04448
"1508843"	397.21219	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+IsoProp+H"	61.06479
"412017"	367.123588	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+Na+K"	61.952376
"775205"	535.197288	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+Na+K"	61.952376
"1674815"	199.049888	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Na+K"	61.952376
"261336"	736.310568	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+ACN+Na"	64.015768
"1227482"	400.163168	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+ACN+Na"	64.015768
"1721839"	400.186693	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+NH4+HCOOH"	64.039293
"1191572"	135.038351333333	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+3Na"	68.967654
"1658184"	405.142088	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Na+HCOOH"	68.994688
"163952"	749.21384	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+2K-H"	76.91904
"599867"	1085.36124	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+2K-H"	76.91904
"1086200"	413.06644	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2K-H"	76.91904
"147028"	375.110558	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"2M+2K"	77.926316
"584035"	543.184258	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"3M+2K"	77.926316
"1072195"	207.036858	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2K"	77.926316
"1101276"	415.080992	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2K+H"	78.933592
"1340697"	415.168607	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+DMSO+H"	79.021207
"1007037"	419.207776	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2ACN+H"	83.060376
"1526255"	420.201408	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+IsoProp+Na+H"	84.054008
"993803"	210.107526	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+2ACN+2H"	84.067652
"1589399"	421.116028	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+K+HCOOH"	84.968628
"1419436"	451.147538	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+H+CF3COOH"	115.000138
"1154098"	230.620801	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+3ACN+2H"	125.094202
"1700369"	468.174085	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+NH4+CF3COOH"	132.026685
"1636021"	473.12948	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+Na+CF3COOH"	136.98208
"1576048"	489.10342	"C03032"	"Cyclopiazonic acid;alpha-Cyclopiazonate;alpha-Cyclopiazonic acid;CPA"	"C20H20N2O3"	"336.1474"	"M+K+CF3COOH"	152.95602
"812976"	578.055	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M"	0
"983230"	559.03661	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-H2O-H"	-19.01839
"68197"	384.362724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M-3H"	-3.021828
"508850"	577.047724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M-3H"	-3.021828
"883006"	191.677724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-3H"	-3.021828
"4132"	577.047724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M-2H"	-2.014552
"443692"	866.075224	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M-2H"	-2.014552
"821494"	288.020224	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-2H"	-2.014552
"79419"	1155.102724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M-H"	-1.007276
"523232"	1733.157724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M-H"	-1.007276
"901032"	577.047724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-H"	-1.007276
"52127"	1172.129271	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M-2H+NH4"	16.019271
"493873"	1750.184271	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M-2H+NH4"	16.019271
"877141"	594.074271	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-2H+NH4"	16.019271
"40668"	1177.084666	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M-2H+Na"	20.974666
"480228"	1755.139666	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M-2H+Na"	20.974666
"854750"	599.029666	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-2H+Na"	20.974666
"1618937"	599.029666	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Na-2H"	20.974666
"96438"	595.036063	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M-H+Cl"	33.962126
"539285"	884.063563	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M-H+Cl"	33.962126
"930614"	306.008563	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-H+Cl"	33.962126
"268077"	1191.079402	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+Cl"	34.969402
"663781"	1769.134402	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+Cl"	34.969402
"1275820"	613.024402	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Cl"	34.969402
"20928"	1193.058606	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M-2H+K"	36.948606
"463771"	1771.113606	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M-2H+K"	36.948606
"840480"	615.003606	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-2H+K"	36.948606
"1563599"	615.003606	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+K-2H"	36.948606
"947472"	623.053194	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-H+HCOOH"	44.998194
"369335"	1201.108201	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+HCOOH-H"	44.998201
"350666"	1215.123851	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+Hac-H"	59.013851
"1499505"	637.068851	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Hac-H"	59.013851
"964492"	645.035151	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-H+NaCOOH"	66.980151
"118137"	613.024402	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+2Cl"	69.938804
"555876"	902.051902	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+2Cl"	69.938804
"1024672"	323.996902	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2Cl"	69.938804
"1246438"	656.973885	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Br"	78.918885
"1310713"	659.029872	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Cl+HCOOH"	80.974872
"1327120"	681.011829	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Cl+NaCOOH"	102.956829
"920368"	691.040586	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M-H+CF3COOH"	112.985586
"1297074"	727.017264	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Cl+CF3COOH"	148.962264
"1377424"	543.042324	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H-2H2O"	-35.012676
"1396987"	561.0523	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H-H2O"	-17.0027
"298013"	1157.117276	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+H"	1.007276
"684843"	1735.172276	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+H"	1.007276
"1354632"	579.062276	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H"	1.007276
"129339"	579.062276	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+2H"	2.014552
"572548"	868.089776	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+2H"	2.014552
"1052044"	290.034776	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2H"	2.014552
"213625"	386.377276	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+3H"	3.021828
"655372"	579.062276	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+3H"	3.021828
"1177836"	193.692276	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+3H"	3.021828
"439207"	1174.143823	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+NH4"	18.033823
"800928"	1752.198823	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+NH4"	18.033823
"1696576"	596.088823	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+NH4"	18.033823
"344202"	587.5755495	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+H+NH4"	19.041099
"735531"	876.6030495	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+H+NH4"	19.041099
"1492393"	298.5480495	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H+NH4"	19.041099
"407180"	1179.099218	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+Na"	22.989218
"769147"	1757.154218	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+Na"	22.989218
"1618020"	601.044218	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Na"	22.989218
"329474"	590.053247	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+H+Na"	23.996494
"719945"	879.080747	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+H+Na"	23.996494
"1473769"	301.025747	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H+Na"	23.996494
"1065922"	201.01959	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2H+Na"	25.00377
"1267598"	611.088486	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+CH3OH+H"	33.033486
"388362"	1195.073158	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+K"	38.963158
"748263"	1773.128158	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+K"	38.963158
"1552507"	617.018158	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+K"	38.963158
"309682"	598.040217	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+H+K"	39.970434
"695542"	887.067717	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+H+K"	39.970434
"1453737"	309.012717	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H+K"	39.970434
"240152"	1198.143826	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+ACN+H"	42.033826
"1211769"	620.088826	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+ACN+H"	42.033826
"1194800"	310.548051	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+ACN+2H"	43.041102
"191075"	1201.08116	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+2Na-H"	44.97116
"629174"	1779.13616	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+2Na-H"	44.97116
"1134141"	623.02616	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2Na-H"	44.97116
"174268"	601.044218	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+2Na"	45.978436
"613828"	890.071718	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+2Na"	45.978436
"1119037"	312.016718	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2Na"	45.978436
"1398949"	208.346904	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H+2Na"	46.985712
"1431036"	625.067746	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H+HCOOH"	47.012746
"222921"	606.07724	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+3H2O+2H"	56.04448
"1508957"	639.11979	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+IsoProp+H"	61.06479
"416505"	609.031188	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+Na+K"	61.952376
"776407"	898.058688	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+Na+K"	61.952376
"1673832"	320.003688	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Na+K"	61.952376
"253425"	1220.125768	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+ACN+Na"	64.015768
"1233060"	642.070768	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+ACN+Na"	64.015768
"1724509"	642.094293	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+NH4+HCOOH"	64.039293
"1190589"	215.674218	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+3Na"	68.967654
"1661575"	647.049688	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Na+HCOOH"	68.994688
"167342"	1233.02904	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+2K-H"	76.91904
"599123"	1811.08404	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+2K-H"	76.91904
"1087403"	654.97404	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2K-H"	76.91904
"142761"	617.018158	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"2M+2K"	77.926316
"585604"	906.045658	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"3M+2K"	77.926316
"1071938"	327.990658	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2K"	77.926316
"1106606"	656.988592	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2K+H"	78.933592
"1340806"	657.076207	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+DMSO+H"	79.021207
"1007511"	661.115376	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2ACN+H"	83.060376
"1525512"	662.109008	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+IsoProp+Na+H"	84.054008
"990871"	331.061326	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+2ACN+2H"	84.067652
"1587806"	663.023628	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+K+HCOOH"	84.968628
"1423920"	693.055138	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+H+CF3COOH"	115.000138
"1154206"	351.574601	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+3ACN+2H"	125.094202
"1708137"	710.081685	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+NH4+CF3COOH"	132.026685
"1636497"	715.03708	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+Na+CF3COOH"	136.98208
"1579439"	731.01102	"C03034"	"dTDP-D-galacturonate"	"C16H24N2O17P2"	"578.055"	"M+K+CF3COOH"	152.95602
"813086"	1027.3292	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M"	0
"986620"	1008.31081	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H2O-H"	-19.01839
"68307"	683.878857333333	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-3H"	-3.021828
"505315"	1026.321924	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-3H"	-3.021828
"880685"	341.435790666667	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-3H"	-3.021828
"7522"	1026.321924	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H"	-2.014552
"447081"	1539.986524	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H"	-2.014552
"824884"	512.657324	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H"	-2.014552
"85968"	2053.651124	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-H"	-1.007276
"524435"	3080.980324	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-H"	-1.007276
"901142"	1026.321924	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H"	-1.007276
"50050"	2070.677671	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H+NH4"	16.019271
"493982"	3098.006871	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H+NH4"	16.019271
"868504"	1043.348471	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H+NH4"	16.019271
"42600"	2075.633066	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H+Na"	20.974666
"477058"	3102.962266	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H+Na"	20.974666
"854860"	1048.303866	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H+Na"	20.974666
"1619168"	1048.303866	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na-2H"	20.974666
"95576"	1044.310263	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-H+Cl"	33.962126
"537207"	1557.974863	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-H+Cl"	33.962126
"930724"	530.645663	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+Cl"	33.962126
"269646"	2089.627802	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Cl"	34.969402
"666442"	3116.957002	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+Cl"	34.969402
"1276658"	1062.298602	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl"	34.969402
"25776"	2091.607006	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H+K"	36.948606
"466067"	3118.936206	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H+K"	36.948606
"838399"	1064.277806	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H+K"	36.948606
"1561522"	1064.277806	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K-2H"	36.948606
"947582"	1072.327394	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+HCOOH"	44.998194
"369081"	2099.656601	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+HCOOH-H"	44.998201
"352599"	2113.672251	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Hac-H"	59.013851
"1501799"	1086.343051	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Hac-H"	59.013851
"962411"	1094.309351	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+NaCOOH"	66.980151
"116790"	1062.298602	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2Cl"	69.938804
"557808"	1575.963202	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2Cl"	69.938804
"1025146"	548.634002	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2Cl"	69.938804
"1245455"	1106.248085	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Br"	78.918885
"1311917"	1108.304072	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl+HCOOH"	80.974872
"1332696"	1130.286029	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl+NaCOOH"	102.956829
"917194"	1140.314786	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+CF3COOH"	112.985586
"1299372"	1176.291464	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl+CF3COOH"	148.962264
"1374252"	992.316524	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H-2H2O"	-35.012676
"1384459"	1010.3265	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H-H2O"	-17.0027
"288156"	2055.665676	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H"	1.007276
"684952"	3082.994876	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H"	1.007276
"1358021"	1028.336476	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H"	1.007276
"133095"	1028.336476	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2H"	2.014552
"575937"	1542.001076	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2H"	2.014552
"1052682"	514.671876	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2H"	2.014552
"219082"	685.893409333333	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+3H"	3.021828
"656575"	1028.336476	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+3H"	3.021828
"1178111"	343.450342666667	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+3H"	3.021828
"439642"	2072.692223	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+NH4"	18.033823
"800067"	3100.021423	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+NH4"	18.033823
"1696807"	1045.363023	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+NH4"	18.033823
"345534"	1036.8497495	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H+NH4"	19.041099
"738441"	1550.5143495	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H+NH4"	19.041099
"1492607"	523.1851495	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+NH4"	19.041099
"408423"	2077.647618	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Na"	22.989218
"769912"	3104.976818	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+Na"	22.989218
"1618258"	1050.318418	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na"	22.989218
"329094"	1039.327447	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H+Na"	23.996494
"722000"	1552.992047	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H+Na"	23.996494
"1472787"	525.662847	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+Na"	23.996494
"1064940"	350.777656666667	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2H+Na"	25.00377
"1267710"	1060.362686	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+CH3OH+H"	33.033486
"389565"	2093.621558	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+K"	38.963158
"745093"	3120.950758	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+K"	38.963158
"1551524"	1066.292358	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K"	38.963158
"305418"	1047.314417	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H+K"	39.970434
"698934"	1560.979017	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H+K"	39.970434
"1451659"	533.649817	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+K"	39.970434
"243542"	2096.692226	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+ACN+H"	42.033826
"1216251"	1069.363026	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+ACN+H"	42.033826
"1200135"	535.185151	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+ACN+2H"	43.041102
"194100"	2099.62956	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2Na-H"	44.97116
"631473"	3126.95876	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2Na-H"	44.97116
"1132060"	1072.30036	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2Na-H"	44.97116
"176079"	1050.318418	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2Na"	45.978436
"615762"	1563.983018	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2Na"	45.978436
"1116351"	536.653818	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2Na"	45.978436
"1398899"	358.104970666667	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+2Na"	46.985712
"1431143"	1074.341946	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+HCOOH"	47.012746
"222301"	1055.35144	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+3H2O+2H"	56.04448
"1511092"	1088.39399	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+IsoProp+H"	61.06479
"416615"	1058.305388	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Na+K"	61.952376
"775424"	1571.969988	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+Na+K"	61.952376
"1672849"	544.640788	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na+K"	61.952376
"254994"	2118.674168	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+ACN+Na"	64.015768
"1233170"	1091.344968	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+ACN+Na"	64.015768
"1724257"	1091.368493	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+NH4+HCOOH"	64.039293
"1190700"	365.432284666667	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+3Na"	68.967654
"1658404"	1096.323888	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na+HCOOH"	68.994688
"167452"	2131.57744	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2K-H"	76.91904
"599721"	3158.90664	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2K-H"	76.91904
"1087878"	1104.24824	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2K-H"	76.91904
"142506"	1066.292358	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2K"	77.926316
"587901"	1579.956958	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2K"	77.926316
"1073507"	552.627758	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2K"	77.926316
"1105622"	1106.262792	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2K+H"	78.933592
"1340916"	1106.350407	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+DMSO+H"	79.021207
"1006771"	1110.389576	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2ACN+H"	83.060376
"1525380"	1111.383208	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+IsoProp+Na+H"	84.054008
"990735"	555.698426	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2ACN+2H"	84.067652
"1589618"	1112.297828	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K+HCOOH"	84.968628
"1422937"	1142.329338	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+CF3COOH"	115.000138
"1156503"	576.211701	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+3ACN+2H"	125.094202
"1708247"	1159.355885	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+NH4+CF3COOH"	132.026685
"1638431"	1164.31128	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na+CF3COOH"	136.98208
"1579549"	1180.28522	"C03035"	"gamma-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K+CF3COOH"	152.95602
"804812"	330.074	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M"	0
"985637"	311.05561	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"69510"	219.042057333333	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"505789"	329.066724	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"880674"	109.017390666667	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"7632"	329.066724	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"446098"	494.103724	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"826087"	164.029724	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"87172"	659.140724	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"528919"	989.214724	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"901252"	329.066724	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"50160"	676.167271	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"494092"	1006.241271	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"868614"	346.093271	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"39794"	681.122666	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"477168"	1011.196666	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"854970"	351.048666	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1619158"	351.048666	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"94714"	347.055063	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"536224"	512.092063	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"933021"	182.018063	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"270120"	695.117402	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"667281"	1025.191402	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1277861"	365.043402	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"25522"	697.096606	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"466177"	1027.170606	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"837416"	367.022606	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1561267"	367.022606	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"947694"	375.072194	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"371378"	705.146201	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"350888"	719.161851	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1499722"	389.087851	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"961429"	397.054151	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"117264"	365.043402	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"555731"	530.080402	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1025621"	200.006402	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1247389"	408.992885	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1310934"	411.048872	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1332441"	433.030829	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"917301"	443.059586	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1294012"	479.036264	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1371447"	295.061324	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1384569"	313.0713	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"284986"	661.155276	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"683969"	991.229276	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1354852"	331.081276	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H"	1.007276
"126765"	331.081276	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"573861"	496.118276	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1052648"	166.044276	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"218220"	221.056609333333	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"656685"	331.081276	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1177857"	111.031942666667	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"439672"	678.181823	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"800176"	1008.255823	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1695659"	348.107823	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"345277"	339.5945495	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"738103"	504.6315495	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1492735"	174.5575495	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"407887"	683.137218	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"768516"	1013.211218	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1618410"	353.063218	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"329814"	342.072247	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"721138"	507.109247	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1472897"	177.035247	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1065049"	118.359256666667	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1267820"	363.107486	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"389675"	699.111158	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"744110"	1029.185158	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1550542"	369.037158	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K"	38.963158
"307715"	350.059217	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"699044"	515.096217	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1452862"	185.022217	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"245839"	702.181826	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1214174"	372.107826	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1201337"	186.557551	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"192022"	705.11916	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"630611"	1035.19316	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1133142"	375.04516	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"173394"	353.063218	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"620124"	518.100218	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1115808"	188.026218	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1398889"	125.686570666667	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1430030"	377.086746	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"222045"	358.09624	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1510473"	391.13879	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"415630"	361.050188	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"775532"	526.087188	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1671866"	196.013188	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"258384"	724.163768	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1233280"	394.089768	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1725822"	394.113293	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1190809"	133.013884666667	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1658514"	399.068688	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"166469"	737.06704	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"599466"	1067.14104	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1086529"	406.99304	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"142615"	369.037158	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"585095"	534.074158	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1072524"	204.000158	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1104639"	409.007592	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1341026"	409.095207	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1007730"	413.134376	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1526583"	414.128008	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"990237"	207.070826	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1588756"	415.042628	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1428514"	445.074138	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1156613"	227.584101	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1709450"	462.100685	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1638541"	467.05608	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1579659"	483.03002	"C03036"	"()-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"803465"	166.0994	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M"	0
"986840"	147.08101	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"68527"	109.725657333333	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"506993"	165.092124	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"881514"	54.3591906666667	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"7742"	165.092124	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"445116"	248.141824	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"826197"	82.042424	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"87282"	331.191524	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"527938"	497.290924	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"904642"	165.092124	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"50270"	348.218071	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"493109"	514.317471	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"868724"	182.118671	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"39904"	353.173466	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"480558"	519.272866	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"855081"	187.074066	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1618441"	187.074066	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"94528"	183.080463	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"534395"	266.130163	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"929851"	100.030763	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"267838"	367.168202	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"665204"	533.267602	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1278336"	201.068802	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"25632"	369.147406	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"466286"	535.246806	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"836434"	203.048006	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1559920"	203.048006	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"948897"	211.097594	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"371488"	377.197001	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"352091"	391.212651	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1500926"	225.113251	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"962268"	233.079551	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"121385"	201.068802	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"555475"	284.118502	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1031201"	118.019102	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1249685"	245.018285	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1312137"	247.074272	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1331822"	269.056229	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"917411"	279.084986	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1295215"	315.061664	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1371192"	131.086724	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1384315"	149.0967	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"284367"	333.206076	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"684079"	499.305476	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1354962"	167.106676	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"127848"	167.106676	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"573971"	250.156376	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1051522"	84.056976	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"218089"	111.740209333333	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"653515"	167.106676	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1177487"	56.3737426666667	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"438809"	350.232623	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"801144"	516.332023	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1696384"	184.133223	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"344418"	175.6199495	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"738056"	258.6696495	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1492323"	92.5702495	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"407269"	355.188018	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"769724"	521.287418	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1617942"	189.088618	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"328342"	178.097647	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"715904"	261.147347	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1471914"	95.047947	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1065160"	63.7010566666667	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1270118"	199.132886	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"389787"	371.161958	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"745315"	537.261358	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1550651"	205.062558	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"305640"	186.084617	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"700246"	269.134317	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1455162"	103.034917	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"241575"	374.232626	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1217565"	208.133226	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1197072"	104.570251	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"189336"	377.16996	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"629747"	543.26936	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1134223"	211.07056	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"174600"	189.088618	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"614404"	272.138318	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1118637"	106.038918	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1398499"	71.0283706666667	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1433555"	213.112146	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"222886"	194.12164	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1514960"	227.16419	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"417929"	197.075588	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"778925"	280.125288	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1673068"	114.025888	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"259590"	396.214568	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1237766"	230.115168	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1722284"	230.138693	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1192012"	78.3556846666667	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1657531"	235.094088	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"166579"	409.11784	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"598848"	575.21724	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1086640"	243.01844	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"147466"	205.062558	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"585934"	288.112258	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1073727"	122.012858	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1104749"	245.032992	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1340042"	245.120607	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1006503"	249.159776	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1525601"	250.153408	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"990956"	125.083526	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1588745"	251.068028	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1417686"	281.099538	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1154535"	145.596801	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1707373"	298.126085	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1638651"	303.08148	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1576488"	319.05542	"C03037"	"()-Bornane-25-dione;25-Diketocamphane"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"806855"	154.1358	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M"	0
"989137"	135.11741	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"66449"	101.749924	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"504916"	153.128524	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"881623"	50.371324	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"6759"	153.128524	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"445226"	230.196424	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"824120"	76.060624	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"88484"	307.264324	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"528047"	461.400124	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"903659"	153.128524	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"55482"	324.290871	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"492126"	478.426671	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"867741"	170.155071	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"40014"	329.246266	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"480669"	483.382066	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"859565"	175.110466	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1620352"	175.110466	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"94483"	171.116863	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"534256"	248.184763	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"929961"	94.048963	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"267460"	343.241002	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"664585"	497.376802	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1278082"	189.105202	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"24649"	345.220206	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"458742"	499.356006	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"836543"	191.084406	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1560759"	191.084406	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"947915"	199.133994	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"370505"	353.269801	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"348923"	367.285451	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1499941"	213.149651	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"963835"	221.115951	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"117490"	189.105202	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"558138"	266.173102	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1028033"	112.037302	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1247612"	233.054685	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1308966"	235.110672	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1330837"	257.092629	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"922988"	267.121386	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1297510"	303.098064	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1374582"	119.123124	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1387705"	137.1331	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"285205"	309.278876	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"676534"	463.414676	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1353977"	155.143076	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"127106"	155.143076	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"568612"	232.210976	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1046164"	78.075176	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"219294"	103.764476	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"652533"	155.143076	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1177842"	52.385876	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"438800"	326.305423	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"800405"	480.441223	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696251"	172.169623	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"344895"	163.6563495	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"737682"	240.7242495	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1491985"	86.5884495	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"407632"	331.260818	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"769435"	485.396618	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616834"	177.125018	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"328574"	166.134047	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"716014"	243.201947	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1472024"	89.066147	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1067094"	59.71319	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1270107"	187.169286	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"389898"	347.234758	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"747612"	501.370558	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1551854"	193.098958	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"305750"	174.121017	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"700356"	251.188917	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1456366"	97.053117	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"241685"	350.305426	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1217675"	196.169626	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1199370"	98.588451	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"194428"	353.24276	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"636174"	507.37856	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1135305"	199.10696	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"176410"	177.125018	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"618158"	254.192918	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1121663"	100.057118	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1399963"	67.040504	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1432936"	201.148546	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"221539"	182.15804	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1512517"	215.20059	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"414756"	185.111988	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"775753"	262.179888	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1670990"	108.044088	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"258605"	372.287368	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1232408"	218.151568	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1722394"	218.175093	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1187018"	74.367818	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1658005"	223.130488	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"161948"	385.19064	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"598223"	539.32644	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1084684"	231.05484	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"141660"	193.098958	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"588232"	270.166858	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1071650"	116.031058	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1102673"	233.069392	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1336871"	233.157007	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1006493"	237.196176	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1525221"	238.189808	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"990212"	119.101726	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1587639"	239.104428	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1417796"	269.135938	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1153552"	139.615001	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1707483"	286.162485	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1638761"	291.11788	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1576598"	307.09182	"C03039"	"()-trans-Piperitenol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"803685"	330.074	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M"	0
"988154"	311.05561	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"76402"	219.042057333333	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"510493"	329.066724	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"883921"	109.017390666667	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"6869"	329.066724	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"448618"	494.103724	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"823138"	164.029724	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"90784"	659.140724	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"530344"	989.214724	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"905957"	329.066724	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"53770"	676.167271	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"497703"	1006.241271	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"874412"	346.093271	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"39033"	681.122666	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"478593"	1011.196666	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"858583"	351.048666	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1624836"	351.048666	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"94960"	347.055063	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"535217"	512.092063	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"930071"	182.018063	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"271909"	695.117402	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"666518"	1025.191402	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1280015"	365.043402	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"30351"	697.096606	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"469422"	1027.170606	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"839935"	367.022606	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1567795"	367.022606	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"951304"	375.072194	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"369521"	705.146201	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"351221"	719.161851	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1502237"	389.087851	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"967591"	397.054151	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"121241"	365.043402	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"559343"	530.080402	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1032518"	200.006402	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1248816"	408.992885	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1312356"	411.048872	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1330948"	433.030829	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"920911"	443.059586	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1302724"	479.036264	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1380157"	295.061324	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1391095"	313.0713	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"291875"	661.155276	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"677008"	991.229276	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1354087"	331.081276	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H"	1.007276
"126245"	331.081276	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"570909"	496.118276	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1046274"	166.044276	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"219769"	221.056609333333	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"658719"	331.081276	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1177586"	111.031942666667	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"439689"	678.181823	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"800880"	1008.255823	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1696602"	348.107823	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"345451"	339.5945495	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"737874"	504.6315495	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1489905"	174.5575495	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"406759"	683.137218	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"768605"	1013.211218	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1613667"	353.063218	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"325892"	342.072247	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"718313"	507.109247	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1469947"	177.035247	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1064287"	118.359256666667	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1272405"	363.107486	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"386727"	699.111158	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"751003"	1029.185158	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1554881"	369.037158	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K"	38.963158
"310235"	350.059217	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"698280"	515.096217	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1458297"	185.022217	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"249089"	702.181826	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1213412"	372.107826	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1198389"	186.557551	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"193447"	705.11916	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"629481"	1035.19316	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1134323"	375.04516	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"173727"	353.063218	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"614381"	518.100218	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1119589"	188.026218	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1399342"	125.686570666667	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1431589"	377.086746	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"222378"	358.09624	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1514086"	391.13879	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"415961"	361.050188	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"774770"	526.087188	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1670009"	196.013188	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"259810"	724.163768	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1237986"	394.089768	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1715577"	394.113293	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1187128"	133.013884666667	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1658844"	399.068688	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"158779"	737.06704	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"602713"	1067.14104	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1084266"	406.99304	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"141423"	369.037158	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"583237"	534.074158	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1071758"	204.000158	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1100960"	409.007592	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1340261"	409.095207	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1008790"	413.134376	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1524174"	414.128008	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"990568"	207.070826	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1593340"	415.042628	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1424469"	445.074138	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1156943"	227.584101	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1701028"	462.100685	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1642151"	467.05608	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1576708"	483.03002	"C03040"	"(-)-Bisdechlorogeodin"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"807075"	300.2664	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M"	0
"984984"	281.24801	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H2O-H"	-19.01839
"68857"	199.170324	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-3H"	-3.021828
"507324"	299.259124	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-3H"	-3.021828
"881237"	99.081524	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-3H"	-3.021828
"1877"	299.259124	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H"	-2.014552
"442530"	449.392324	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H"	-2.014552
"818629"	149.125924	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H"	-2.014552
"87613"	599.525524	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-H"	-1.007276
"526080"	899.791924	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-H"	-1.007276
"902789"	299.259124	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H"	-1.007276
"54975"	616.552071	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+NH4"	16.019271
"492348"	916.818471	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+NH4"	16.019271
"865777"	316.285671	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+NH4"	16.019271
"33067"	621.507466	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+Na"	20.974666
"474330"	921.773866	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+Na"	20.974666
"850067"	321.241066	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+Na"	20.974666
"1619352"	321.241066	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na-2H"	20.974666
"95400"	317.247463	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-H+Cl"	33.962126
"535203"	467.380663	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-H+Cl"	33.962126
"933462"	167.114263	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+Cl"	33.962126
"274207"	635.502202	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Cl"	34.969402
"665535"	935.768602	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Cl"	34.969402
"1287418"	335.235802	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl"	34.969402
"31068"	637.481406	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+K"	36.948606
"468805"	937.747806	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+K"	36.948606
"846976"	337.215006	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+K"	36.948606
"1566814"	337.215006	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K-2H"	36.948606
"956157"	345.264594	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+HCOOH"	44.998194
"374737"	645.531001	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+HCOOH-H"	44.998201
"357526"	659.546651	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Hac-H"	59.013851
"1501256"	359.280251	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Hac-H"	59.013851
"966610"	367.246551	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+NaCOOH"	66.980151
"119893"	335.235802	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Cl"	69.938804
"557265"	485.369002	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Cl"	69.938804
"1030441"	185.102602	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Cl"	69.938804
"1252204"	379.185285	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Br"	78.918885
"1309188"	381.241272	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+HCOOH"	80.974872
"1327777"	403.223229	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+NaCOOH"	102.956829
"921022"	413.251986	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+CF3COOH"	112.985586
"1301011"	449.228664	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+CF3COOH"	148.962264
"1374802"	265.253724	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H-2H2O"	-35.012676
"1384647"	283.2637	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H-H2O"	-17.0027
"285426"	601.540076	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H"	1.007276
"682221"	901.806476	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H"	1.007276
"1356384"	301.273676	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H"	1.007276
"133646"	301.273676	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2H"	2.014552
"575397"	451.406876	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2H"	2.014552
"1045290"	151.140476	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2H"	2.014552
"218659"	201.184876	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+3H"	3.021828
"659608"	301.273676	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+3H"	3.021828
"1178341"	101.096076	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3H"	3.021828
"439506"	618.566623	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+NH4"	18.033823
"800864"	918.833023	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+NH4"	18.033823
"1696873"	318.300223	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4"	18.033823
"345362"	309.7869495	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+NH4"	19.041099
"738453"	459.9201495	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+NH4"	19.041099
"1492205"	159.6537495	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+NH4"	19.041099
"406869"	623.522018	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Na"	22.989218
"762399"	923.788418	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Na"	22.989218
"1614870"	323.255618	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na"	22.989218
"323814"	312.264647	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+Na"	23.996494
"716233"	462.397847	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+Na"	23.996494
"1470057"	162.131447	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+Na"	23.996494
"1063304"	108.42339	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2H+Na"	25.00377
"1268262"	333.299886	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+CH3OH+H"	33.033486
"392676"	639.495958	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+K"	38.963158
"753303"	939.762358	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+K"	38.963158
"1554990"	339.229558	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K"	38.963158
"312168"	320.251617	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+K"	39.970434
"702765"	470.384817	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+K"	39.970434
"1457678"	170.118417	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+K"	39.970434
"248467"	642.566626	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+ACN+H"	42.033826
"1215709"	342.300226	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+H"	42.033826
"1199592"	171.653751	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+2H"	43.041102
"192464"	645.50396	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Na-H"	44.97116
"632022"	945.77036	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Na-H"	44.97116
"1135527"	345.23756	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Na-H"	44.97116
"174202"	323.255618	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Na"	45.978436
"614734"	473.388818	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Na"	45.978436
"1118240"	173.122418	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Na"	45.978436
"1399573"	115.750704	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+2Na"	46.985712
"1432427"	347.279146	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+HCOOH"	47.012746
"222851"	328.28864	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+3H2O+2H"	56.04448
"1511280"	361.33119	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+IsoProp+H"	61.06479
"412789"	331.242588	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Na+K"	61.952376
"774880"	481.375788	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Na+K"	61.952376
"1666713"	181.109388	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+K"	61.952376
"254452"	664.548568	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+ACN+Na"	64.015768
"1231535"	364.282168	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+Na"	64.015768
"1721521"	364.305693	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4+HCOOH"	64.039293
"1186875"	123.078018	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3Na"	68.967654
"1655674"	369.261088	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+HCOOH"	68.994688
"161806"	677.45184	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2K-H"	76.91904
"600637"	977.71824	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2K-H"	76.91904
"1089891"	377.18544	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K-H"	76.91904
"141966"	339.229558	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2K"	77.926316
"588454"	489.362758	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2K"	77.926316
"1069685"	189.096358	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K"	77.926316
"1105082"	379.199992	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K+H"	78.933592
"1339278"	379.287607	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+DMSO+H"	79.021207
"1005859"	383.326776	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2ACN+H"	83.060376
"1524596"	384.320408	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+IsoProp+Na+H"	84.054008
"995668"	192.167026	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2ACN+2H"	84.067652
"1590170"	385.235028	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K+HCOOH"	84.968628
"1423487"	415.266538	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+CF3COOH"	115.000138
"1153773"	212.680301	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3ACN+2H"	125.094202
"1707700"	432.293085	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4+CF3COOH"	132.026685
"1648822"	437.24848	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+CF3COOH"	136.98208
"1574631"	453.22242	"C03042"	"(R)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K+CF3COOH"	152.95602
"807185"	178.1106	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M"	0
"986187"	159.09221	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H2O-H"	-19.01839
"71154"	117.733124	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-3H"	-3.021828
"508528"	177.103324	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-3H"	-3.021828
"881589"	58.362924	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-3H"	-3.021828
"1988"	177.103324	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H"	-2.014552
"443371"	266.158624	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H"	-2.014552
"822265"	88.048024	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H"	-2.014552
"85537"	355.213924	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-H"	-1.007276
"526190"	533.324524	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-H"	-1.007276
"903990"	177.103324	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H"	-1.007276
"55085"	372.240471	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H+NH4"	16.019271
"490271"	550.351071	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H+NH4"	16.019271
"866979"	194.129871	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H+NH4"	16.019271
"33786"	377.195866	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H+Na"	20.974666
"474440"	555.306466	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H+Na"	20.974666
"850176"	199.085266	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H+Na"	20.974666
"1618773"	199.085266	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na-2H"	20.974666
"95632"	195.091663	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-H+Cl"	33.962126
"535314"	284.146963	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-H+Cl"	33.962126
"933571"	106.036363	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+Cl"	33.962126
"274317"	391.190602	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Cl"	34.969402
"667832"	569.301202	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+Cl"	34.969402
"1287407"	213.080002	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl"	34.969402
"30206"	393.169806	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M-2H+K"	36.948606
"470901"	571.280406	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M-2H+K"	36.948606
"847449"	215.059206	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-2H+K"	36.948606
"1563644"	215.059206	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K-2H"	36.948606
"956267"	223.108794	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+HCOOH"	44.998194
"373024"	401.219401	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+HCOOH-H"	44.998201
"355813"	415.235051	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Hac-H"	59.013851
"1502459"	237.124451	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Hac-H"	59.013851
"967813"	245.090751	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+NaCOOH"	66.980151
"118909"	213.080002	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2Cl"	69.938804
"557375"	302.135302	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2Cl"	69.938804
"1028362"	124.024702	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2Cl"	69.938804
"1250126"	257.029485	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Br"	78.918885
"1306744"	259.085472	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl+HCOOH"	80.974872
"1325700"	281.067429	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl+NaCOOH"	102.956829
"914571"	291.096186	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M-H+CF3COOH"	112.985586
"1295654"	327.072864	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Cl+CF3COOH"	148.962264
"1378192"	143.097924	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H-2H2O"	-35.012676
"1384757"	161.1079	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H-H2O"	-17.0027
"285536"	357.228476	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H"	1.007276
"682331"	535.339076	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H"	1.007276
"1357587"	179.117876	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H"	1.007276
"132663"	179.117876	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2H"	2.014552
"576600"	268.173176	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2H"	2.014552
"1046493"	90.062576	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2H"	2.014552
"218405"	119.747676	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+3H"	3.021828
"659312"	179.117876	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+3H"	3.021828
"1177802"	60.377476	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+3H"	3.021828
"439254"	374.255023	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+NH4"	18.033823
"800855"	552.365623	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+NH4"	18.033823
"1695970"	196.144423	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+NH4"	18.033823
"344247"	187.6311495	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H+NH4"	19.041099
"737035"	276.6864495	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H+NH4"	19.041099
"1490859"	98.5758495	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+NH4"	19.041099
"405886"	379.210418	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Na"	22.989218
"765790"	557.321018	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+Na"	22.989218
"1613886"	201.099818	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na"	22.989218
"323923"	190.108847	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H+Na"	23.996494
"718531"	279.164147	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H+Na"	23.996494
"1470167"	101.053547	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+Na"	23.996494
"1066697"	67.70479	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2H+Na"	25.00377
"1265092"	211.144086	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+CH3OH+H"	33.033486
"392055"	395.184358	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+K"	38.963158
"752684"	573.294958	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+K"	38.963158
"1553280"	217.073758	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K"	38.963158
"312643"	198.095817	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+H+K"	39.970434
"702874"	287.151117	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+H+K"	39.970434
"1456330"	109.040517	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+K"	39.970434
"248213"	398.255026	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+ACN+H"	42.033826
"1214725"	220.144426	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+ACN+H"	42.033826
"1199702"	110.575851	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+ACN+2H"	43.041102
"192573"	401.19236	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2Na-H"	44.97116
"633225"	579.30296	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2Na-H"	44.97116
"1135636"	223.08176	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2Na-H"	44.97116
"175647"	201.099818	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2Na"	45.978436
"618125"	290.155118	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2Na"	45.978436
"1119443"	112.044518	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2Na"	45.978436
"1402237"	75.032104	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+2Na"	46.985712
"1431808"	225.123346	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+HCOOH"	47.012746
"221014"	206.13284	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+3H2O+2H"	56.04448
"1511026"	239.17539	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+IsoProp+H"	61.06479
"413992"	209.086788	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+Na+K"	61.952376
"772801"	298.142088	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+Na+K"	61.952376
"1665886"	120.031488	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na+K"	61.952376
"252126"	420.236968	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+ACN+Na"	64.015768
"1226783"	242.126368	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+ACN+Na"	64.015768
"1715797"	242.149893	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+NH4+HCOOH"	64.039293
"1188081"	82.359418	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+3Na"	68.967654
"1656878"	247.105288	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na+HCOOH"	68.994688
"165927"	433.14024	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2K-H"	76.91904
"597827"	611.25084	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2K-H"	76.91904
"1091094"	255.02964	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2K-H"	76.91904
"141825"	217.073758	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"2M+2K"	77.926316
"588563"	306.129058	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"3M+2K"	77.926316
"1070037"	128.018458	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2K"	77.926316
"1105192"	257.044192	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2K+H"	78.933592
"1340481"	257.131807	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+DMSO+H"	79.021207
"1006085"	261.170976	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2ACN+H"	83.060376
"1525192"	262.164608	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+IsoProp+Na+H"	84.054008
"993590"	131.089126	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+2ACN+2H"	84.067652
"1590280"	263.079228	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K+HCOOH"	84.968628
"1423597"	293.110738	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+H+CF3COOH"	115.000138
"1153883"	151.602401	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+3ACN+2H"	125.094202
"1707810"	310.137285	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+NH4+CF3COOH"	132.026685
"1648932"	315.09268	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+Na+CF3COOH"	136.98208
"1574741"	331.06662	"C03043"	"(R)-6-Hydroxynicotine"	"C10H14N2O"	"178.1106"	"M+K+CF3COOH"	152.95602
"804015"	90.0681	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M"	0
"984111"	71.04971	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H2O-H"	-19.01839
"76367"	59.038124	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-3H"	-3.021828
"515199"	89.060824	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-3H"	-3.021828
"883159"	29.015424	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-3H"	-3.021828
"5016"	89.060824	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H"	-2.014552
"444575"	134.094874	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H"	-2.014552
"822375"	44.026774	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H"	-2.014552
"83095"	179.128924	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-H"	-1.007276
"525206"	269.197024	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-H"	-1.007276
"901184"	89.060824	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H"	-1.007276
"50456"	196.155471	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H+NH4"	16.019271
"490745"	286.223571	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H+NH4"	16.019271
"865996"	106.087371	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H+NH4"	16.019271
"32801"	201.110866	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H+Na"	20.974666
"473456"	291.178966	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H+Na"	20.974666
"848663"	111.042766	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H+Na"	20.974666
"1618681"	111.042766	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na-2H"	20.974666
"96231"	107.049163	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-H+Cl"	33.962126
"535303"	152.083213	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-H+Cl"	33.962126
"928330"	62.015113	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+Cl"	33.962126
"275520"	215.105602	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Cl"	34.969402
"665755"	305.173702	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+Cl"	34.969402
"1287396"	125.037502	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl"	34.969402
"28371"	217.084806	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H+K"	36.948606
"469025"	307.152906	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H+K"	36.948606
"847074"	127.016706	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H+K"	36.948606
"1563754"	127.016706	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K-2H"	36.948606
"957105"	135.066294	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+HCOOH"	44.998194
"373134"	225.134401	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+HCOOH-H"	44.998201
"355923"	239.150051	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Hac-H"	59.013851
"1502569"	149.081951	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Hac-H"	59.013851
"967923"	157.048251	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+NaCOOH"	66.980151
"119019"	125.037502	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2Cl"	69.938804
"556392"	170.071552	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2Cl"	69.938804
"1028472"	80.003452	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2Cl"	69.938804
"1249143"	168.986985	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Br"	78.918885
"1306490"	171.042972	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl+HCOOH"	80.974872
"1325810"	193.024929	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl+NaCOOH"	102.956829
"914681"	203.053686	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+CF3COOH"	112.985586
"1295764"	239.030364	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl+CF3COOH"	148.962264
"1378302"	55.055424	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H-2H2O"	-35.012676
"1384867"	73.0654	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H-H2O"	-17.0027
"285646"	181.143476	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H"	1.007276
"682441"	271.211576	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H"	1.007276
"1356604"	91.075376	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H"	1.007276
"132773"	91.075376	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2H"	2.014552
"575617"	136.109426	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2H"	2.014552
"1046603"	46.041326	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2H"	2.014552
"216693"	61.052676	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+3H"	3.021828
"659542"	91.075376	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+3H"	3.021828
"1177178"	31.029976	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+3H"	3.021828
"439834"	198.170023	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+NH4"	18.033823
"800353"	288.238123	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+NH4"	18.033823
"1696565"	108.101923	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+NH4"	18.033823
"342170"	99.5886495	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H+NH4"	19.041099
"737144"	144.6226995	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H+NH4"	19.041099
"1491697"	54.5545995	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+NH4"	19.041099
"403812"	203.125418	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Na"	22.989218
"766994"	293.193518	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+Na"	22.989218
"1611810"	113.057318	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na"	22.989218
"324033"	102.066347	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H+Na"	23.996494
"714267"	147.100397	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H+Na"	23.996494
"1470277"	57.032297	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+Na"	23.996494
"1067170"	38.35729	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2H+Na"	25.00377
"1263014"	123.101586	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+CH3OH+H"	33.033486
"387058"	219.099358	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+K"	38.963158
"750970"	309.167458	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+K"	38.963158
"1554118"	129.031258	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K"	38.963158
"311658"	110.053317	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H+K"	39.970434
"703713"	155.087367	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H+K"	39.970434
"1456440"	65.019267	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+K"	39.970434
"248687"	222.170026	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+ACN+H"	42.033826
"1214835"	132.101926	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+ACN+H"	42.033826
"1199812"	66.554601	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+ACN+2H"	43.041102
"191589"	225.10736	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2Na-H"	44.97116
"632242"	315.17546	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2Na-H"	44.97116
"1136839"	135.03926	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2Na-H"	44.97116
"175027"	113.057318	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2Na"	45.978436
"615683"	158.091368	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2Na"	45.978436
"1118824"	68.023268	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2Na"	45.978436
"1400525"	45.684604	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+2Na"	46.985712
"1432284"	137.080846	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+HCOOH"	47.012746
"221975"	118.09034	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+3H2O+2H"	56.04448
"1510769"	151.13289	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+IsoProp+H"	61.06479
"414102"	121.044288	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Na+K"	61.952376
"772179"	166.078338	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+Na+K"	61.952376
"1666567"	76.010238	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na+K"	61.952376
"252724"	244.151968	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+ACN+Na"	64.015768
"1228473"	154.083868	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+ACN+Na"	64.015768
"1718823"	154.107393	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+NH4+HCOOH"	64.039293
"1184907"	53.011918	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+3Na"	68.967654
"1660269"	159.062788	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na+HCOOH"	68.994688
"163849"	257.05524	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2K-H"	76.91904
"601224"	347.12334	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2K-H"	76.91904
"1087557"	166.98714	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2K-H"	76.91904
"142184"	129.031258	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2K"	77.926316
"588673"	174.065308	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2K"	77.926316
"1070998"	83.997208	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2K"	77.926316
"1102143"	169.001692	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2K+H"	78.933592
"1339498"	169.089307	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+DMSO+H"	79.021207
"1006440"	173.128476	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2ACN+H"	83.060376
"1525060"	174.122108	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+IsoProp+Na+H"	84.054008
"994793"	87.067876	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2ACN+2H"	84.067652
"1590390"	175.036728	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K+HCOOH"	84.968628
"1423707"	205.068238	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+CF3COOH"	115.000138
"1153993"	107.581151	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+3ACN+2H"	125.094202
"1706827"	222.094785	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+NH4+CF3COOH"	132.026685
"1649692"	227.05018	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na+CF3COOH"	136.98208
"1574851"	243.02412	"C03044"	"(RR)-Butane-23-diol;(RR)-23-Butanediol;(RR)-23-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K+CF3COOH"	152.95602
"804125"	300.2664	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M"	0
"984221"	281.24801	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H2O-H"	-19.01839
"71375"	199.170324	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-3H"	-3.021828
"506561"	299.259124	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-3H"	-3.021828
"880473"	99.081524	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-3H"	-3.021828
"2938"	299.259124	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H"	-2.014552
"441403"	449.392324	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H"	-2.014552
"820299"	149.125924	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H"	-2.014552
"80289"	599.525524	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-H"	-1.007276
"520211"	899.791924	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-H"	-1.007276
"898743"	299.259124	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H"	-1.007276
"48744"	616.552071	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+NH4"	16.019271
"487573"	916.818471	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+NH4"	16.019271
"866106"	316.285671	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+NH4"	16.019271
"32302"	621.507466	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+Na"	20.974666
"471861"	921.773866	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+Na"	20.974666
"849909"	321.241066	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+Na"	20.974666
"1618585"	321.241066	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na-2H"	20.974666
"95975"	317.247463	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-H+Cl"	33.962126
"534349"	467.380663	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-H+Cl"	33.962126
"927545"	167.114263	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+Cl"	33.962126
"267200"	635.502202	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Cl"	34.969402
"661486"	935.768602	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Cl"	34.969402
"1278268"	335.235802	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl"	34.969402
"19732"	637.481406	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+K"	36.948606
"458561"	937.747806	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+K"	36.948606
"838187"	337.215006	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+K"	36.948606
"1561675"	337.215006	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K-2H"	36.948606
"948466"	345.264594	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+HCOOH"	44.998194
"366683"	645.531001	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+HCOOH-H"	44.998201
"350566"	659.546651	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Hac-H"	59.013851
"1498305"	359.280251	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Hac-H"	59.013851
"964753"	367.246551	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+NaCOOH"	66.980151
"119129"	335.235802	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Cl"	69.938804
"554315"	485.369002	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Cl"	69.938804
"1023478"	185.102602	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Cl"	69.938804
"1245607"	379.185285	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Br"	78.918885
"1306232"	381.241272	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+HCOOH"	80.974872
"1322640"	403.223229	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+NaCOOH"	102.956829
"913696"	413.251986	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+CF3COOH"	112.985586
"1295874"	449.228664	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+CF3COOH"	148.962264
"1378412"	265.253724	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H-2H2O"	-35.012676
"1384977"	283.2637	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H-H2O"	-17.0027
"286849"	601.540076	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H"	1.007276
"679271"	901.806476	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H"	1.007276
"1356714"	301.273676	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H"	1.007276
"132883"	301.273676	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2H"	2.014552
"575727"	451.406876	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2H"	2.014552
"1047805"	151.140476	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2H"	2.014552
"216803"	201.184876	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+3H"	3.021828
"659165"	301.273676	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+3H"	3.021828
"1177290"	101.096076	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3H"	3.021828
"436672"	618.566623	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+NH4"	18.033823
"800706"	918.833023	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+NH4"	18.033823
"1694000"	318.300223	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4"	18.033823
"342278"	309.7869495	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+NH4"	19.041099
"734700"	459.9201495	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+NH4"	19.041099
"1488521"	159.6537495	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+NH4"	19.041099
"402827"	623.522018	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Na"	22.989218
"762729"	923.788418	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Na"	22.989218
"1610825"	323.255618	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na"	22.989218
"320862"	312.264647	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+Na"	23.996494
"710003"	462.397847	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+Na"	23.996494
"1467107"	162.131447	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+Na"	23.996494
"1065457"	108.42339	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2H+Na"	25.00377
"1262031"	333.299886	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+CH3OH+H"	33.033486
"387168"	639.495958	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+K"	38.963158
"749257"	939.762358	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+K"	38.963158
"1552406"	339.229558	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K"	38.963158
"305206"	320.251617	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+K"	39.970434
"703459"	470.384817	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+K"	39.970434
"1455820"	170.118417	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+K"	39.970434
"246609"	642.566626	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+ACN+H"	42.033826
"1212028"	342.300226	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+H"	42.033826
"1196637"	171.653751	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+2H"	43.041102
"190602"	645.50396	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Na-H"	44.97116
"632350"	945.77036	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Na-H"	44.97116
"1132939"	345.23756	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Na-H"	44.97116
"173148"	323.255618	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Na"	45.978436
"614332"	473.388818	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Na"	45.978436
"1115761"	173.122418	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Na"	45.978436
"1398556"	115.750704	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+2Na"	46.985712
"1432394"	347.279146	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+HCOOH"	47.012746
"221358"	328.28864	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+3H2O+2H"	56.04448
"1509787"	361.33119	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+IsoProp+H"	61.06479
"410932"	331.242588	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Na+K"	61.952376
"771197"	481.375788	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Na+K"	61.952376
"1666797"	181.109388	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+K"	61.952376
"251862"	664.548568	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+ACN+Na"	64.015768
"1228583"	364.282168	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+Na"	64.015768
"1718933"	364.305693	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4+HCOOH"	64.039293
"1184288"	123.078018	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3Na"	68.967654
"1659286"	369.261088	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+HCOOH"	68.994688
"157637"	677.45184	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2K-H"	76.91904
"601333"	977.71824	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2K-H"	76.91904
"1086939"	377.18544	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K-H"	76.91904
"141804"	339.229558	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2K"	77.926316
"587690"	489.362758	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2K"	77.926316
"1069285"	189.096358	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K"	77.926316
"1102132"	379.199992	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K+H"	78.933592
"1338515"	379.287607	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+DMSO+H"	79.021207
"1005821"	383.326776	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2ACN+H"	83.060376
"1525047"	384.320408	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+IsoProp+Na+H"	84.054008
"994903"	192.167026	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2ACN+2H"	84.067652
"1590500"	385.235028	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K+HCOOH"	84.968628
"1423817"	415.266538	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+CF3COOH"	115.000138
"1154103"	212.680301	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3ACN+2H"	125.094202
"1708030"	432.293085	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4+CF3COOH"	132.026685
"1649834"	437.24848	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+CF3COOH"	136.98208
"1574961"	453.22242	"C03045"	"(S)-2-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K+CF3COOH"	152.95602
"804235"	90.0681	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M"	0
"985424"	71.04971	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-H2O-H"	-19.01839
"73671"	59.038124	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M-3H"	-3.021828
"507764"	89.060824	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M-3H"	-3.021828
"882285"	29.015424	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-3H"	-3.021828
"4142"	89.060824	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M-2H"	-2.014552
"442970"	134.094874	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M-2H"	-2.014552
"821501"	44.026774	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-2H"	-2.014552
"80033"	179.128924	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M-H"	-1.007276
"519592"	269.197024	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M-H"	-1.007276
"899946"	89.060824	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-H"	-1.007276
"48853"	196.155471	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M-2H+NH4"	16.019271
"490600"	286.223571	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M-2H+NH4"	16.019271
"867309"	106.087371	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-2H+NH4"	16.019271
"33021"	201.110866	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M-2H+Na"	20.974666
"474769"	291.178966	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M-2H+Na"	20.974666
"849775"	111.042766	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-2H+Na"	20.974666
"1618654"	111.042766	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Na-2H"	20.974666
"98271"	107.049163	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M-H+Cl"	33.962126
"534535"	152.083213	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M-H+Cl"	33.962126
"928064"	62.015113	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-H+Cl"	33.962126
"267338"	215.105602	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+Cl"	34.969402
"663054"	305.173702	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+Cl"	34.969402
"1279106"	125.037502	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Cl"	34.969402
"20934"	217.084806	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M-2H+K"	36.948606
"459035"	307.152906	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M-2H+K"	36.948606
"836475"	127.016706	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-2H+K"	36.948606
"1557042"	127.016706	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+K-2H"	36.948606
"947483"	135.066294	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-H+HCOOH"	44.998194
"363145"	225.134401	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+HCOOH-H"	44.998201
"347030"	239.150051	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+Hac-H"	59.013851
"1494402"	149.081951	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Hac-H"	59.013851
"959389"	157.048251	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-H+NaCOOH"	66.980151
"117051"	125.037502	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+2Cl"	69.938804
"553693"	170.071552	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+2Cl"	69.938804
"1023584"	80.003452	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2Cl"	69.938804
"1246080"	168.986985	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Br"	78.918885
"1305249"	171.042972	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Cl+HCOOH"	80.974872
"1321288"	193.024929	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Cl+NaCOOH"	102.956829
"914169"	203.053686	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M-H+CF3COOH"	112.985586
"1295984"	239.030364	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Cl+CF3COOH"	148.962264
"1378522"	55.055424	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H-2H2O"	-35.012676
"1385087"	73.0654	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H-H2O"	-17.0027
"286959"	181.143476	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+H"	1.007276
"679381"	271.211576	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+H"	1.007276
"1355731"	91.075376	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H"	1.007276
"128983"	91.075376	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+2H"	2.014552
"571461"	136.109426	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+2H"	2.014552
"1045728"	46.041326	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2H"	2.014552
"218005"	61.052676	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+3H"	3.021828
"659561"	91.075376	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+3H"	3.021828
"1178322"	31.029976	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+3H"	3.021828
"436782"	198.170023	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+NH4"	18.033823
"800451"	288.238123	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+NH4"	18.033823
"1694110"	108.101923	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+NH4"	18.033823
"340199"	99.5886495	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+H+NH4"	19.041099
"737483"	144.6226995	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+H+NH4"	19.041099
"1488631"	54.5545995	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H+NH4"	19.041099
"404030"	203.125418	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+Na"	22.989218
"765392"	293.193518	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+Na"	22.989218
"1607655"	113.057318	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Na"	22.989218
"318784"	102.066347	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+H+Na"	23.996494
"710477"	147.100397	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+H+Na"	23.996494
"1468309"	57.032297	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H+Na"	23.996494
"1062651"	38.35729	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2H+Na"	25.00377
"1264327"	123.101586	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+CH3OH+H"	33.033486
"385091"	219.099358	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+K"	38.963158
"748273"	309.167458	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+K"	38.963158
"1548142"	129.031258	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+K"	38.963158
"306409"	110.053317	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+H+K"	39.970434
"696641"	155.087367	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+H+K"	39.970434
"1453743"	65.019267	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H+K"	39.970434
"240158"	222.170026	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+ACN+H"	42.033826
"1211042"	132.101926	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+ACN+H"	42.033826
"1194915"	66.554601	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+ACN+2H"	43.041102
"189373"	225.10736	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+2Na-H"	44.97116
"631001"	315.17546	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+2Na-H"	44.97116
"1134507"	135.03926	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2Na-H"	44.97116
"174030"	113.057318	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+2Na"	45.978436
"613136"	158.091368	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+2Na"	45.978436
"1115997"	68.023268	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2Na"	45.978436
"1398668"	45.684604	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H+2Na"	46.985712
"1429973"	137.080846	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H+HCOOH"	47.012746
"222561"	118.09034	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+3H2O+2H"	56.04448
"1512081"	151.13289	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+IsoProp+H"	61.06479
"413227"	121.044288	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+Na+K"	61.952376
"773127"	166.078338	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+Na+K"	61.952376
"1667638"	76.010238	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Na+K"	61.952376
"254888"	244.151968	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+ACN+Na"	64.015768
"1227960"	154.083868	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+ACN+Na"	64.015768
"1718314"	154.107393	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+NH4+HCOOH"	64.039293
"1184398"	53.011918	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+3Na"	68.967654
"1653929"	159.062788	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Na+HCOOH"	68.994688
"157870"	257.05524	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+2K-H"	76.91904
"597553"	347.12334	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+2K-H"	76.91904
"1087049"	166.98714	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2K-H"	76.91904
"142522"	129.031258	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"2M+2K"	77.926316
"585613"	174.065308	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"3M+2K"	77.926316
"1069516"	83.997208	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2K"	77.926316
"1101014"	169.001692	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2K+H"	78.933592
"1336433"	169.089307	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+DMSO+H"	79.021207
"1006659"	173.128476	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2ACN+H"	83.060376
"1524540"	174.122108	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+IsoProp+Na+H"	84.054008
"991855"	87.067876	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+2ACN+2H"	84.067652
"1587936"	175.036728	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+K+HCOOH"	84.968628
"1419553"	205.068238	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+H+CF3COOH"	115.000138
"1150933"	107.581151	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+3ACN+2H"	125.094202
"1701580"	222.094785	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+NH4+CF3COOH"	132.026685
"1647076"	227.05018	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+Na+CF3COOH"	136.98208
"1575071"	243.02412	"C03046"	"(SS)-Butane-23-diol;(SS)-23-Butanediol;(SS)-23-Butylene glycol;(2S3S)-Butane-23-diol"	"C4H10O2"	"90.0681"	"M+K+CF3COOH"	152.95602
"805438"	172.1436	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M"	0
"984441"	153.12521	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-H2O-H"	-19.01839
"73781"	113.755124	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M-3H"	-3.021828
"507874"	171.136324	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M-3H"	-3.021828
"881178"	56.373924	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-3H"	-3.021828
"4252"	171.136324	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M-2H"	-2.014552
"441986"	257.208124	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M-2H"	-2.014552
"820881"	85.064524	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-2H"	-2.014552
"83788"	343.279924	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M-H"	-1.007276
"523347"	515.423524	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M-H"	-1.007276
"904429"	171.136324	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-H"	-1.007276
"53338"	360.306471	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M-2H+NH4"	16.019271
"495084"	532.450071	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M-2H+NH4"	16.019271
"873981"	188.162871	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-2H+NH4"	16.019271
"39693"	365.261866	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M-2H+Na"	20.974666
"483628"	537.405466	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M-2H+Na"	20.974666
"853777"	193.118266	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-2H+Na"	20.974666
"1625495"	193.118266	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Na-2H"	20.974666
"97288"	189.124663	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M-H+Cl"	33.962126
"538304"	275.196463	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M-H+Cl"	33.962126
"932549"	103.052863	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-H+Cl"	33.962126
"269283"	379.256602	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+Cl"	34.969402
"664258"	551.400202	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+Cl"	34.969402
"1279216"	207.113002	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Cl"	34.969402
"21046"	381.235806	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M-2H+K"	36.948606
"459512"	553.379406	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M-2H+K"	36.948606
"840594"	209.092206	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-2H+K"	36.948606
"1560070"	209.092206	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+K-2H"	36.948606
"948686"	217.141794	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-H+HCOOH"	44.998194
"364715"	389.285401	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+HCOOH-H"	44.998201
"349693"	403.301051	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+Hac-H"	59.013851
"1498525"	231.157451	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Hac-H"	59.013851
"964972"	239.123751	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-H+NaCOOH"	66.980151
"118255"	207.113002	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+2Cl"	69.938804
"557814"	293.184802	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+2Cl"	69.938804
"1026249"	121.041202	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2Cl"	69.938804
"1249472"	251.062485	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Br"	78.918885
"1309737"	253.118472	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Cl+HCOOH"	80.974872
"1324681"	275.100429	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Cl+NaCOOH"	102.956829
"914281"	285.129186	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M-H+CF3COOH"	112.985586
"1298281"	321.105864	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Cl+CF3COOH"	148.962264
"1382486"	137.130924	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H-2H2O"	-35.012676
"1391757"	155.1409	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H-H2O"	-17.0027
"292536"	345.294476	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+H"	1.007276
"683864"	517.438076	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+H"	1.007276
"1359120"	173.150876	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H"	1.007276
"129093"	173.150876	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+2H"	2.014552
"573757"	259.222676	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+2H"	2.014552
"1045838"	87.079076	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2H"	2.014552
"217751"	115.769676	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+3H"	3.021828
"659427"	173.150876	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+3H"	3.021828
"1177957"	58.388476	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+3H"	3.021828
"437623"	362.321023	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+NH4"	18.033823
"799347"	534.464623	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+NH4"	18.033823
"1694950"	190.177423	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+NH4"	18.033823
"343591"	181.6641495	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+H+NH4"	19.041099
"737107"	267.7359495	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+H+NH4"	19.041099
"1489474"	95.5923495	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H+NH4"	19.041099
"407058"	367.276418	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+Na"	22.989218
"766230"	539.420018	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+Na"	22.989218
"1611045"	195.132818	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Na"	22.989218
"323268"	184.141847	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+H+Na"	23.996494
"716786"	270.213647	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+H+Na"	23.996494
"1470607"	98.070047	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H+Na"	23.996494
"1062761"	65.71579	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2H+Na"	25.00377
"1265531"	205.177086	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+CH3OH+H"	33.033486
"388482"	383.250358	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+K"	38.963158
"749477"	555.393958	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+K"	38.963158
"1547159"	211.106758	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+K"	38.963158
"306520"	192.128817	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+H+K"	39.970434
"701126"	278.200617	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+H+K"	39.970434
"1453854"	106.057017	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H+K"	39.970434
"238810"	386.321026	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+ACN+H"	42.033826
"1211395"	214.177426	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+ACN+H"	42.033826
"1197587"	107.592351	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+ACN+2H"	43.041102
"191917"	389.25836	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+2Na-H"	44.97116
"636580"	561.40196	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+2Na-H"	44.97116
"1137535"	217.11476	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2Na-H"	44.97116
"179732"	195.132818	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+2Na"	45.978436
"612965"	281.204618	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+2Na"	45.978436
"1116598"	109.061018	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2Na"	45.978436
"1399149"	73.043104	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H+2Na"	46.985712
"1430901"	219.156346	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H+HCOOH"	47.012746
"220959"	200.16584	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+3H2O+2H"	56.04448
"1511830"	233.20839	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+IsoProp+H"	61.06479
"411878"	203.119788	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+Na+K"	61.952376
"772507"	289.191588	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+Na+K"	61.952376
"1668113"	117.047988	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Na+K"	61.952376
"254269"	408.302968	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+ACN+Na"	64.015768
"1228802"	236.159368	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+ACN+Na"	64.015768
"1718424"	236.182893	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+NH4+HCOOH"	64.039293
"1180132"	80.370418	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+3Na"	68.967654
"1650630"	241.138288	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Na+HCOOH"	68.994688
"158461"	421.20624	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+2K-H"	76.91904
"598138"	593.34984	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+2K-H"	76.91904
"1085690"	249.06264	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2K-H"	76.91904
"143237"	211.106758	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"2M+2K"	77.926316
"583891"	297.178558	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"3M+2K"	77.926316
"1069620"	125.034958	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2K"	77.926316
"1100888"	251.077192	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2K+H"	78.933592
"1337026"	251.164807	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+DMSO+H"	79.021207
"1006649"	255.203976	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2ACN+H"	83.060376
"1524776"	256.197608	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+IsoProp+Na+H"	84.054008
"990866"	128.105626	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+2ACN+2H"	84.067652
"1591815"	257.112228	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+K+HCOOH"	84.968628
"1418567"	287.143738	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+H+CF3COOH"	115.000138
"1148127"	148.618901	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+3ACN+2H"	125.094202
"1698041"	304.170285	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+NH4+CF3COOH"	132.026685
"1648279"	309.12568	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+Na+CF3COOH"	136.98208
"1575181"	325.09962	"C03047"	"Arcaine;14-Diguanidinobutane"	"C6H16N6"	"172.1436"	"M+K+CF3COOH"	152.95602
"805548"	356.329	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M"	0
"985644"	337.31061	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H2O-H"	-19.01839
"71704"	236.545390666667	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-3H"	-3.021828
"510171"	355.321724	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-3H"	-3.021828
"884690"	117.769057333333	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-3H"	-3.021828
"4362"	355.321724	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H"	-2.014552
"441731"	533.486224	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H"	-2.014552
"820627"	177.157224	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H"	-2.014552
"82805"	711.650724	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-H"	-1.007276
"522363"	1067.979724	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-H"	-1.007276
"903445"	355.321724	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H"	-1.007276
"56728"	728.677271	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H+NH4"	16.019271
"497382"	1085.006271	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H+NH4"	16.019271
"875184"	372.348271	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H+NH4"	16.019271
"41991"	733.632666	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H+Na"	20.974666
"484834"	1089.961666	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H+Na"	20.974666
"853888"	377.303666	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H+Na"	20.974666
"1624511"	377.303666	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na-2H"	20.974666
"97763"	373.310063	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-H+Cl"	33.962126
"537321"	551.474563	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-H+Cl"	33.962126
"931933"	195.145563	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+Cl"	33.962126
"270487"	747.627402	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Cl"	34.969402
"664003"	1103.956402	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+Cl"	34.969402
"1278598"	391.298402	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl"	34.969402
"21156"	749.606606	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H+K"	36.948606
"460350"	1105.935606	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H+K"	36.948606
"840704"	393.277606	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H+K"	36.948606
"1559088"	393.277606	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K-2H"	36.948606
"948796"	401.327194	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+HCOOH"	44.998194
"364825"	757.656201	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+HCOOH-H"	44.998201
"348710"	771.671851	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Hac-H"	59.013851
"1496449"	415.342851	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Hac-H"	59.013851
"963990"	423.309151	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+NaCOOH"	66.980151
"112898"	391.298402	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2Cl"	69.938804
"557925"	569.462902	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2Cl"	69.938804
"1025631"	213.133902	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2Cl"	69.938804
"1249582"	435.247885	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Br"	78.918885
"1305466"	437.303872	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl+HCOOH"	80.974872
"1319926"	459.285829	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl+NaCOOH"	102.956829
"914390"	469.314586	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+CF3COOH"	112.985586
"1288538"	505.291264	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl+CF3COOH"	148.962264
"1367558"	321.316324	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H-2H2O"	-35.012676
"1391863"	339.3263	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H-H2O"	-17.0027
"294831"	713.665276	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H"	1.007276
"679599"	1069.994276	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H"	1.007276
"1358137"	357.336276	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H"	1.007276
"129203"	357.336276	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2H"	2.014552
"570587"	535.500776	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2H"	2.014552
"1045947"	179.171776	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2H"	2.014552
"214945"	238.559942666667	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+3H"	3.021828
"659881"	357.336276	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+3H"	3.021828
"1178355"	119.783609333333	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+3H"	3.021828
"439313"	730.691823	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+NH4"	18.033823
"798362"	1087.020823	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+NH4"	18.033823
"1695425"	374.362823	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+NH4"	18.033823
"343701"	365.8495495	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H+NH4"	19.041099
"736487"	544.0140495	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H+NH4"	19.041099
"1492132"	187.6850495	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+NH4"	19.041099
"406438"	735.647218	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Na"	22.989218
"765245"	1091.976218	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+Na"	22.989218
"1615164"	379.318218	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na"	22.989218
"328482"	368.327247	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H+Na"	23.996494
"719080"	546.491747	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H+Na"	23.996494
"1471808"	190.162747	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+Na"	23.996494
"1063963"	127.110923333333	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2H+Na"	25.00377
"1266734"	389.362486	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+CH3OH+H"	33.033486
"388592"	751.621158	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+K"	38.963158
"744119"	1107.950158	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+K"	38.963158
"1551642"	395.292158	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K"	38.963158
"306630"	376.314217	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H+K"	39.970434
"700143"	554.478717	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H+K"	39.970434
"1453964"	198.149717	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+K"	39.970434
"239649"	754.691826	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+ACN+H"	42.033826
"1213086"	398.362826	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+ACN+H"	42.033826
"1197697"	199.685051	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+ACN+2H"	43.041102
"192027"	757.62916	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2Na-H"	44.97116
"637056"	1113.95816	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2Na-H"	44.97116
"1138740"	401.30016	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2Na-H"	44.97116
"174740"	379.318218	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2Na"	45.978436
"613932"	557.482718	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2Na"	45.978436
"1115785"	201.153718	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2Na"	45.978436
"1398689"	134.438237333333	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+2Na"	46.985712
"1430768"	403.341746	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+HCOOH"	47.012746
"220095"	384.35124	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+3H2O+2H"	56.04448
"1509749"	417.39379	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+IsoProp+H"	61.06479
"408946"	387.305188	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Na+K"	61.952376
"771523"	565.469688	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+Na+K"	61.952376
"1667125"	209.140688	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na+K"	61.952376
"252432"	776.673768	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+ACN+Na"	64.015768
"1226600"	420.344768	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+ACN+Na"	64.015768
"1717800"	420.368293	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+NH4+HCOOH"	64.039293
"1180603"	141.765551333333	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+3Na"	68.967654
"1652073"	425.323688	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na+HCOOH"	68.994688
"157963"	789.57704	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2K-H"	76.91904
"598006"	1145.90604	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2K-H"	76.91904
"1085070"	433.24804	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2K-H"	76.91904
"142374"	395.292158	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2K"	77.926316
"583634"	573.456658	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2K"	77.926316
"1070335"	217.127658	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2K"	77.926316
"1101117"	435.262592	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2K+H"	78.933592
"1336161"	435.350207	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+DMSO+H"	79.021207
"1006640"	439.389376	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2ACN+H"	83.060376
"1525738"	440.383008	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+IsoProp+Na+H"	84.054008
"990602"	220.198326	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2ACN+2H"	84.067652
"1587172"	441.297628	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K+HCOOH"	84.968628
"1417946"	471.329138	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+CF3COOH"	115.000138
"1148233"	240.711601	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+3ACN+2H"	125.094202
"1697786"	488.355685	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+NH4+CF3COOH"	132.026685
"1647296"	493.31108	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na+CF3COOH"	136.98208
"1575291"	509.28502	"C03049"	"13-Hydroxydocosanoic acid;13-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K+CF3COOH"	152.95602
"807845"	292.2402	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M"	0
"984661"	273.22181	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"70721"	193.819524	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"510281"	291.232924	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"881521"	96.406124	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"1191"	291.232924	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"441234"	437.353024	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"819643"	145.112824	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"82916"	583.473124	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"524662"	875.713324	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"903556"	291.232924	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"59025"	600.499671	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"501016"	892.739871	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"872013"	308.259471	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"38822"	605.455066	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"477288"	897.695266	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"855092"	313.214866	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1622437"	313.214866	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"100063"	309.221263	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"536336"	455.341363	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"934227"	163.101163	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"272057"	619.449802	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"663749"	911.690002	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1275791"	327.209602	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"19443"	621.429006	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"460460"	913.669206	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"840814"	329.188806	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1559197"	329.188806	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"949999"	337.238394	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"367122"	629.478601	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"348820"	643.494251	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1496559"	351.254051	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"965193"	359.220351	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"116288"	327.209602	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"556942"	473.329702	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1027928"	181.089502	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1248600"	371.159085	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1304604"	373.215072	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1320519"	395.197029	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"915229"	405.225786	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1288732"	441.202464	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1367300"	257.227524	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1388693"	275.2375	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"293848"	585.487676	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"678616"	877.727876	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1358247"	293.247476	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"129312"	293.247476	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"569603"	439.367576	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1039492"	147.127376	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"211773"	195.834076	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"653521"	293.247476	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1178455"	98.420676	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"437479"	602.514223	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"798475"	894.754423	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1694442"	310.274023	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"339435"	301.7607495	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"731858"	447.8808495	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1491147"	155.6406495	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"403266"	607.469618	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"762076"	899.709818	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1612358"	315.229418	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"324581"	304.238447	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"721376"	450.358547	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1469730"	158.118347	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1061886"	105.74799	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1266844"	325.273686	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"387608"	623.443558	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"747507"	915.683758	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1548470"	331.203358	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"307832"	312.225417	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"701346"	458.345517	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1455166"	166.105317	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"241582"	626.514226	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1215384"	334.274026	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1197807"	167.640651	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"195783"	629.45156	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"637167"	921.69176	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1140674"	337.21136	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"173549"	315.229418	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"613437"	461.349518	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1117186"	169.109318	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1398517"	113.075304	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1432097"	339.252946	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"220697"	320.26244	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1509616"	353.30499	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"410271"	323.216388	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"772363"	469.336488	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1666508"	177.096288	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"252666"	648.496168	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1226470"	356.255968	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1717546"	356.279493	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1179133"	120.402618	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1650969"	361.234888	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"157588"	661.39944	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"597110"	953.63964	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1084450"	369.15924	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"141754"	331.203358	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"581925"	477.323458	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1069350"	185.083258	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1100008"	371.173792	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1335631"	371.261407	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1005854"	375.300576	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1528887"	376.294208	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"990046"	188.153926	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1587363"	377.208828	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1414889"	407.240338	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1147733"	208.667201	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1697324"	424.266885	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1647771"	429.22228	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1575401"	445.19622	"C03050"	"16beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"804675"	292.2402	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M"	0
"981489"	273.22181	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"68644"	193.819524	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"509297"	291.232924	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"881630"	96.406124	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"935"	291.232924	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"440288"	437.353024	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"820118"	145.112824	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"81568"	583.473124	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"524774"	875.713324	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"903666"	291.232924	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"56949"	600.499671	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"497603"	892.739871	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"869209"	308.259471	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"34194"	605.455066	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"473146"	897.695266	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"854110"	313.214866	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1622912"	313.214866	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"100174"	309.221263	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"534988"	455.341363	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"935431"	163.101163	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"275083"	619.449802	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"667506"	911.690002	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1275537"	327.209602	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"19189"	621.429006	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"459842"	913.669206	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"839831"	329.188806	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1558215"	329.188806	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"949016"	337.238394	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"368325"	629.478601	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"350023"	643.494251	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1499949"	351.254051	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"965303"	359.220351	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"115306"	327.209602	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"559240"	473.329702	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1030225"	181.089502	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1249804"	371.159085	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1305690"	373.215072	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1319994"	395.197029	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"912788"	405.225786	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1288511"	441.202464	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1367040"	257.227524	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1392083"	275.2375	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"293958"	585.487676	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"677633"	877.727876	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1356170"	293.247476	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"130152"	293.247476	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"572994"	439.367576	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1041793"	147.127376	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"211883"	195.834076	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"658614"	293.247476	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1178251"	98.420676	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"437221"	602.514223	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"799921"	894.754423	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1695158"	310.274023	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"336265"	301.7607495	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"731968"	447.8808495	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1485790"	155.6406495	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"401189"	607.469618	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"761091"	899.709818	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1604814"	315.229418	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"325785"	304.238447	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"718206"	450.358547	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1467654"	158.118347	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1059808"	105.74799	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1265861"	325.273686	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"387717"	623.443558	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"745433"	915.683758	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1546393"	331.203358	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"302476"	312.225417	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"701457"	458.345517	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1458557"	166.105317	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"246066"	626.514226	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1213306"	334.274026	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1202659"	167.640651	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"191520"	629.45156	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"632903"	921.69176	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1132033"	337.21136	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"174596"	315.229418	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"613625"	461.349518	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1116564"	169.109318	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1399074"	113.075304	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1431843"	339.252946	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"220195"	320.26244	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1508705"	353.30499	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"408716"	323.216388	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"771376"	469.336488	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1667713"	177.096288	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"255326"	648.496168	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1226090"	356.255968	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1714739"	356.279493	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1179365"	120.402618	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1650025"	361.234888	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"157166"	661.39944	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"598222"	953.63964	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1086014"	369.15924	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"143559"	331.203358	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"581987"	477.323458	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1068541"	185.083258	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1100156"	371.173792	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1336255"	371.261407	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1005778"	375.300576	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1525110"	376.294208	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"991436"	188.153926	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1587387"	377.208828	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1414347"	407.240338	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1148085"	208.667201	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1697641"	424.266885	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1647881"	429.22228	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1575511"	445.19622	"C03051"	"17beta-Hydroxysteroid"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"813537"	320.0532	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M"	0
"988162"	301.03481	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-H2O-H"	-19.01839
"69849"	212.361524	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M-3H"	-3.021828
"503288"	319.045924	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M-3H"	-3.021828
"882835"	105.677124	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-3H"	-3.021828
"4689"	319.045924	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M-2H"	-2.014552
"446436"	479.072524	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M-2H"	-2.014552
"822050"	159.019324	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-2H"	-2.014552
"83138"	639.099124	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M-H"	-1.007276
"524881"	959.152324	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M-H"	-1.007276
"901592"	319.045924	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-H"	-1.007276
"52684"	656.125671	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M-2H+NH4"	16.019271
"494430"	976.178871	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M-2H+NH4"	16.019271
"868954"	336.072471	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-2H+NH4"	16.019271
"36125"	661.081066	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M-2H+Na"	20.974666
"476415"	981.134266	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M-2H+Na"	20.974666
"850937"	341.027866	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-2H+Na"	20.974666
"1627035"	341.027866	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Na-2H"	20.974666
"100280"	337.034263	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M-H+Cl"	33.962126
"543122"	497.060863	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M-H+Cl"	33.962126
"931170"	177.007663	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-H+Cl"	33.962126
"278478"	675.075802	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+Cl"	34.969402
"665433"	995.129002	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+Cl"	34.969402
"1278931"	355.022602	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Cl"	34.969402
"25861"	677.055006	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M-2H+K"	36.948606
"464327"	997.108206	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M-2H+K"	36.948606
"834476"	357.001806	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-2H+K"	36.948606
"1565621"	357.001806	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+K-2H"	36.948606
"945847"	365.051394	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-H+HCOOH"	44.998194
"365156"	685.104601	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+HCOOH-H"	44.998201
"350133"	699.120251	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+Hac-H"	59.013851
"1494593"	379.067051	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Hac-H"	59.013851
"962134"	387.033351	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-H+NaCOOH"	66.980151
"115415"	355.022602	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+2Cl"	69.938804
"551694"	515.049202	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+2Cl"	69.938804
"1024870"	194.996002	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2Cl"	69.938804
"1247729"	398.972085	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Br"	78.918885
"1304378"	401.028072	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Cl+HCOOH"	80.974872
"1321108"	423.010029	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Cl+NaCOOH"	102.956829
"914357"	433.038786	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M-H+CF3COOH"	112.985586
"1293254"	469.015464	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Cl+CF3COOH"	148.962264
"1370323"	285.040524	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H-2H2O"	-35.012676
"1392194"	303.0505	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H-H2O"	-17.0027
"286415"	641.113676	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+H"	1.007276
"682118"	961.166876	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+H"	1.007276
"1357375"	321.060476	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H"	1.007276
"129533"	321.060476	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+2H"	2.014552
"569093"	481.087076	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+2H"	2.014552
"1045184"	161.033876	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2H"	2.014552
"218566"	214.376076	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+3H"	3.021828
"654840"	321.060476	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+3H"	3.021828
"1171874"	107.691676	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+3H"	3.021828
"434054"	658.140223	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+NH4"	18.033823
"799417"	978.193423	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+NH4"	18.033823
"1693562"	338.087023	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+NH4"	18.033823
"341841"	329.5737495	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+H+NH4"	19.041099
"732076"	489.6003495	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+H+NH4"	19.041099
"1483712"	169.5471495	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H+NH4"	19.041099
"402392"	663.095618	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+Na"	22.989218
"762293"	983.148818	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+Na"	22.989218
"1607109"	343.042418	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Na"	22.989218
"319334"	332.051447	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+H+Na"	23.996494
"715036"	492.078047	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+H+Na"	23.996494
"1467763"	172.024847	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H+Na"	23.996494
"1059915"	115.01899	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2H+Na"	25.00377
"1267065"	353.086686	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+CH3OH+H"	33.033486
"384549"	679.069558	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+K"	38.963158
"742259"	999.122758	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+K"	38.963158
"1540670"	359.016358	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+K"	38.963158
"300396"	340.038417	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+H+K"	39.970434
"692087"	500.065017	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+H+K"	39.970434
"1447733"	180.011817	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H+K"	39.970434
"239978"	682.140226	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+ACN+H"	42.033826
"1211228"	362.087026	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+ACN+H"	42.033826
"1198393"	181.547151	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+ACN+2H"	43.041102
"193455"	685.07756	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+2Na-H"	44.97116
"631189"	1005.13076	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+2Na-H"	44.97116
"1132508"	365.02436	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2Na-H"	44.97116
"173850"	343.042418	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+2Na"	45.978436
"613287"	503.069018	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+2Na"	45.978436
"1116060"	183.015818	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2Na"	45.978436
"1398614"	122.346304	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H+2Na"	46.985712
"1429980"	367.065946	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H+HCOOH"	47.012746
"220302"	348.07544	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+3H2O+2H"	56.04448
"1508850"	381.11799	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+IsoProp+H"	61.06479
"408737"	351.029388	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+Na+K"	61.952376
"769974"	511.055988	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+Na+K"	61.952376
"1666239"	191.002788	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Na+K"	61.952376
"252518"	704.122168	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+ACN+Na"	64.015768
"1226687"	384.068968	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+ACN+Na"	64.015768
"1717401"	384.092493	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+NH4+HCOOH"	64.039293
"1178533"	129.673618	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+3Na"	68.967654
"1650541"	389.047888	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Na+HCOOH"	68.994688
"157142"	717.02544	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+2K-H"	76.91904
"597123"	1037.07864	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+2K-H"	76.91904
"1084665"	396.97224	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2K-H"	76.91904
"141460"	359.016358	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"2M+2K"	77.926316
"581466"	519.042958	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"3M+2K"	77.926316
"1068540"	198.989758	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2K"	77.926316
"1100472"	398.986792	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2K+H"	78.933592
"1337101"	399.074407	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+DMSO+H"	79.021207
"1005727"	403.113576	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2ACN+H"	83.060376
"1524286"	404.107208	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+IsoProp+Na+H"	84.054008
"990047"	202.060426	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+2ACN+2H"	84.067652
"1588604"	405.021828	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+K+HCOOH"	84.968628
"1415721"	435.053338	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+H+CF3COOH"	115.000138
"1149294"	222.573701	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+3ACN+2H"	125.094202
"1698483"	452.079885	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+NH4+CF3COOH"	132.026685
"1647991"	457.03528	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+Na+CF3COOH"	136.98208
"1575621"	473.00922	"C03052"	"23-Dihydrogossypetin"	"C15H12O8"	"320.0532"	"M+K+CF3COOH"	152.95602
"804895"	111.032	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M"	0
"981710"	92.01361	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H2O-H"	-19.01839
"69958"	73.0140573333333	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-3H"	-3.021828
"504049"	110.024724	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-3H"	-3.021828
"884036"	36.0033906666667	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-3H"	-3.021828
"5892"	110.024724	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H"	-2.014552
"444359"	165.540724	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H"	-2.014552
"819609"	54.508724	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H"	-2.014552
"83611"	221.056724	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-H"	-1.007276
"523898"	332.088724	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-H"	-1.007276
"898785"	110.024724	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H"	-1.007276
"53159"	238.083271	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+NH4"	16.019271
"493447"	349.115271	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+NH4"	16.019271
"870158"	127.051271	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+NH4"	16.019271
"38057"	243.038666	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+Na"	20.974666
"475431"	354.070666	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+Na"	20.974666
"850316"	132.006666	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+Na"	20.974666
"1627145"	132.006666	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na-2H"	20.974666
"103672"	128.013063	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-H+Cl"	33.962126
"544326"	183.529063	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-H+Cl"	33.962126
"931647"	72.497063	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+Cl"	33.962126
"272028"	257.033402	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Cl"	34.969402
"664449"	368.065402	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Cl"	34.969402
"1276854"	146.001402	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl"	34.969402
"20504"	259.012606	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M-2H+K"	36.948606
"457146"	370.044606	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M-2H+K"	36.948606
"834586"	147.980606	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-2H+K"	36.948606
"1562450"	147.980606	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K-2H"	36.948606
"944864"	156.030194	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+HCOOH"	44.998194
"362350"	267.062201	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+HCOOH-H"	44.998201
"350243"	281.077851	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Hac-H"	59.013851
"1497983"	170.045851	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Hac-H"	59.013851
"963338"	178.012151	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+NaCOOH"	66.980151
"112245"	146.001402	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Cl"	69.938804
"555085"	201.517402	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Cl"	69.938804
"1024980"	90.485402	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Cl"	69.938804
"1248933"	189.950885	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Br"	78.918885
"1304817"	192.006872	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+HCOOH"	80.974872
"1323407"	213.988829	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+NaCOOH"	102.956829
"913009"	224.017586	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M-H+CF3COOH"	112.985586
"1291177"	259.994264	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Cl+CF3COOH"	148.962264
"1369340"	76.019324	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H-2H2O"	-35.012676
"1392304"	94.0293	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H-H2O"	-17.0027
"286525"	223.071276	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H"	1.007276
"681135"	334.103276	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H"	1.007276
"1355298"	112.039276	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H"	1.007276
"129278"	112.039276	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2H"	2.014552
"568110"	167.555276	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2H"	2.014552
"1045294"	56.523276	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2H"	2.014552
"218555"	75.0286093333333	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+3H"	3.021828
"654950"	112.039276	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+3H"	3.021828
"1176723"	38.0179426666667	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3H"	3.021828
"430884"	240.097823	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+NH4"	18.033823
"801279"	351.129823	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+NH4"	18.033823
"1694764"	129.065823	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4"	18.033823
"341952"	120.5525495	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+NH4"	19.041099
"731092"	176.0685495	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+NH4"	19.041099
"1487103"	65.0365495	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+NH4"	19.041099
"402502"	245.053218	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Na"	22.989218
"765684"	356.085218	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Na"	22.989218
"1608313"	134.021218	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na"	22.989218
"319444"	123.030247	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+Na"	23.996494
"717334"	178.546247	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+Na"	23.996494
"1473341"	67.514247	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+Na"	23.996494
"1060025"	45.3452566666667	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2H+Na"	25.00377
"1266083"	144.065486	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+CH3OH+H"	33.033486
"382472"	261.027158	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+K"	38.963158
"744558"	372.059158	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+K"	38.963158
"1541144"	149.995158	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K"	38.963158
"307067"	131.017217	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+H+K"	39.970434
"693657"	186.533217	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+H+K"	39.970434
"1447112"	75.501217	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+K"	39.970434
"236442"	264.097826	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+ACN+H"	42.033826
"1213162"	153.065826	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+H"	42.033826
"1198141"	77.036551	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+2H"	43.041102
"192106"	267.03516	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Na-H"	44.97116
"632393"	378.06716	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Na-H"	44.97116
"1132366"	156.00316	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Na-H"	44.97116
"173961"	134.021218	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2Na"	45.978436
"613279"	189.537218	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2Na"	45.978436
"1116292"	78.505218	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2Na"	45.978436
"1398968"	52.6725706666667	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+2Na"	46.985712
"1430962"	158.044746	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+HCOOH"	47.012746
"220659"	139.05424	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+3H2O+2H"	56.04448
"1509577"	172.09679	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+IsoProp+H"	61.06479
"409024"	142.008188	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+Na+K"	61.952376
"770141"	197.524188	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+Na+K"	61.952376
"1666839"	86.492188	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+K"	61.952376
"251532"	286.079768	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+ACN+Na"	64.015768
"1228258"	175.047768	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+ACN+Na"	64.015768
"1716782"	175.071293	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4+HCOOH"	64.039293
"1178504"	59.9998846666667	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3Na"	68.967654
"1649994"	180.026688	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+HCOOH"	68.994688
"157167"	298.98304	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2K-H"	76.91904
"597201"	410.01504	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2K-H"	76.91904
"1085383"	187.95104	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K-H"	76.91904
"143415"	149.995158	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"2M+2K"	77.926316
"581680"	205.511158	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"3M+2K"	77.926316
"1068824"	94.479158	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K"	77.926316
"1100697"	189.965592	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2K+H"	78.933592
"1335867"	190.053207	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+DMSO+H"	79.021207
"1005736"	194.092376	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2ACN+H"	83.060376
"1524264"	195.086008	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+IsoProp+Na+H"	84.054008
"990225"	97.549826	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+2ACN+2H"	84.067652
"1587120"	196.000628	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K+HCOOH"	84.968628
"1415103"	226.032138	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+H+CF3COOH"	115.000138
"1152685"	118.063101	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+3ACN+2H"	125.094202
"1697985"	243.058685	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+NH4+CF3COOH"	132.026685
"1645548"	248.01408	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+Na+CF3COOH"	136.98208
"1577919"	263.98802	"C03056"	"26-Dihydroxypyridine"	"C5H5NO2"	"111.032"	"M+K+CF3COOH"	152.95602
"808285"	150.0317	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M"	0
"982913"	131.01331	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-H2O-H"	-19.01839
"70071"	99.0138573333333	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M-3H"	-3.021828
"504524"	149.024424	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M-3H"	-3.021828
"883056"	49.0032906666667	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-3H"	-3.021828
"3089"	149.024424	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M-2H"	-2.014552
"445926"	224.040274	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M-2H"	-2.014552
"822271"	74.008574	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-2H"	-2.014552
"84814"	299.056124	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M-H"	-1.007276
"526198"	449.087824	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M-H"	-1.007276
"902906"	149.024424	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-H"	-1.007276
"49989"	316.082671	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M-2H+NH4"	16.019271
"488818"	466.114371	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M-2H+NH4"	16.019271
"870268"	166.050971	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-2H+NH4"	16.019271
"35253"	321.038066	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M-2H+Na"	20.974666
"474449"	471.069766	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M-2H+Na"	20.974666
"856626"	171.006366	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-2H+Na"	20.974666
"1632601"	171.006366	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Na-2H"	20.974666
"104876"	167.012763	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M-H+Cl"	33.962126
"543343"	242.028613	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M-H+Cl"	33.962126
"931395"	91.996913	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-H+Cl"	33.962126
"271046"	335.032802	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+Cl"	34.969402
"661642"	485.064502	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+Cl"	34.969402
"1279151"	185.001102	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Cl"	34.969402
"26082"	337.012006	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M-2H+K"	36.948606
"462362"	487.043706	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M-2H+K"	36.948606
"846728"	186.980306	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-2H+K"	36.948606
"1565842"	186.980306	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+K-2H"	36.948606
"950442"	195.029894	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-H+HCOOH"	44.998194
"365377"	345.061601	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+HCOOH-H"	44.998201
"350355"	359.077251	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+Hac-H"	59.013851
"1502468"	209.045551	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Hac-H"	59.013851
"967458"	217.011851	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-H+NaCOOH"	66.980151
"116729"	185.001102	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+2Cl"	69.938804
"551916"	260.016952	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+2Cl"	69.938804
"1030558"	109.985252	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2Cl"	69.938804
"1250136"	228.950585	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Br"	78.918885
"1310397"	231.006572	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Cl+HCOOH"	80.974872
"1320598"	252.988529	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Cl+NaCOOH"	102.956829
"912384"	263.017286	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M-H+CF3COOH"	112.985586
"1301130"	298.993964	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Cl+CF3COOH"	148.962264
"1369451"	115.019024	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H-2H2O"	-35.012676
"1390230"	133.029	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H-H2O"	-17.0027
"285543"	301.070676	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+H"	1.007276
"679058"	451.102376	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+H"	1.007276
"1357595"	151.038976	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H"	1.007276
"131576"	151.038976	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+2H"	2.014552
"573324"	226.054826	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+2H"	2.014552
"1042124"	76.023126	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2H"	2.014552
"219638"	101.028409333333	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+3H"	3.021828
"658342"	151.038976	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+3H"	3.021828
"1177323"	51.0178426666667	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+3H"	3.021828
"438652"	318.097223	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+NH4"	18.033823
"800489"	468.128923	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+NH4"	18.033823
"1689408"	168.065523	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+NH4"	18.033823
"340963"	159.5522495	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+H+NH4"	19.041099
"732295"	234.5680995	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+H+NH4"	19.041099
"1481744"	84.5363995	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H+NH4"	19.041099
"400425"	323.052618	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+Na"	22.989218
"764700"	473.084318	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+Na"	22.989218
"1605143"	173.020918	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Na"	22.989218
"319554"	162.029947	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+H+Na"	23.996494
"715258"	237.045797	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+H+Na"	23.996494
"1465797"	87.014097	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H+Na"	23.996494
"1057952"	58.3451566666667	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2H+Na"	25.00377
"1265103"	183.065186	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+CH3OH+H"	33.033486
"382582"	339.026558	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+K"	38.963158
"742482"	489.058258	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+K"	38.963158
"1547817"	188.994858	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+K"	38.963158
"306086"	170.016917	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+H+K"	39.970434
"693039"	245.032767	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+H+K"	39.970434
"1450140"	95.001067	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H+K"	39.970434
"237648"	342.097226	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+ACN+H"	42.033826
"1212909"	192.065526	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+ACN+H"	42.033826
"1198616"	96.536401	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+ACN+2H"	43.041102
"194767"	345.03456	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+2Na-H"	44.97116
"631776"	495.06626	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+2Na-H"	44.97116
"1133215"	195.00286	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2Na-H"	44.97116
"174074"	173.020918	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+2Na"	45.978436
"614115"	248.036768	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+2Na"	45.978436
"1116890"	98.005068	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2Na"	45.978436
"1399443"	65.6724706666667	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H+2Na"	46.985712
"1430708"	197.044446	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H+HCOOH"	47.012746
"220890"	178.05394	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+3H2O+2H"	56.04448
"1509198"	211.09649	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+IsoProp+H"	61.06479
"409257"	181.007888	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+Na+K"	61.952376
"772807"	256.023738	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+Na+K"	61.952376
"1668043"	105.992038	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Na+K"	61.952376
"251762"	364.079168	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+ACN+Na"	64.015768
"1226907"	214.047468	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+ACN+Na"	64.015768
"1716528"	214.070993	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+NH4+HCOOH"	64.039293
"1181155"	72.9997846666667	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+3Na"	68.967654
"1650803"	219.026388	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Na+HCOOH"	68.994688
"157781"	376.98244	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+2K-H"	76.91904
"597577"	527.01414	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+2K-H"	76.91904
"1086222"	226.95074	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2K-H"	76.91904
"141622"	188.994858	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"2M+2K"	77.926316
"581749"	264.010708	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"3M+2K"	77.926316
"1068689"	113.979008	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2K"	77.926316
"1100927"	228.965292	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2K+H"	78.933592
"1336100"	229.052907	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+DMSO+H"	79.021207
"1006451"	233.092076	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2ACN+H"	83.060376
"1524452"	234.085708	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+IsoProp+Na+H"	84.054008
"990538"	117.049676	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+2ACN+2H"	84.067652
"1587391"	235.000328	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+K+HCOOH"	84.968628
"1415213"	265.031838	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+H+CF3COOH"	115.000138
"1152795"	137.562951	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+3ACN+2H"	125.094202
"1697975"	282.058385	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+NH4+CF3COOH"	132.026685
"1645658"	287.01378	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+Na+CF3COOH"	136.98208
"1578029"	302.98772	"C03057"	"2-Carboxybenzaldehyde;Phthalaldehydic acid;o-Formylbenzoic acid;2-Formylbenzoic acid;2-Formylbenzoate"	"C8H6O3"	"150.0317"	"M+K+CF3COOH"	152.95602
"805115"	897.1418	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M"	0
"981929"	878.12341	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H2O-H"	-19.01839
"75645"	597.087257333333	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-3H"	-3.021828
"511925"	896.134524	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-3H"	-3.021828
"883529"	298.039990666667	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-3H"	-3.021828
"2833"	896.134524	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H"	-2.014552
"446766"	1344.705424	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H"	-2.014552
"820560"	447.563624	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H"	-2.014552
"83467"	1793.276324	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H"	-1.007276
"522293"	2690.418124	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H"	-1.007276
"899004"	896.134524	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H"	-1.007276
"50097"	1810.302871	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+NH4"	16.019271
"489294"	2707.444671	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+NH4"	16.019271
"866368"	913.161071	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+NH4"	16.019271
"33661"	1815.258266	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+Na"	20.974666
"472735"	2712.400066	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+Na"	20.974666
"852726"	918.116466	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+Na"	20.974666
"1627365"	918.116466	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na-2H"	20.974666
"98061"	914.122863	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H+Cl"	33.962126
"538715"	1362.693763	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H+Cl"	33.962126
"933692"	465.551963	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+Cl"	33.962126
"272249"	1829.253002	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Cl"	34.969402
"664669"	2726.394802	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Cl"	34.969402
"1280354"	932.111202	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl"	34.969402
"27285"	1831.232206	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+K"	36.948606
"462472"	2728.374006	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+K"	36.948606
"846838"	934.090406	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+K"	36.948606
"1567045"	934.090406	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K-2H"	36.948606
"950552"	942.139994	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+HCOOH"	44.998194
"365487"	1839.281801	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+HCOOH-H"	44.998201
"353745"	1853.297451	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Hac-H"	59.013851
"1502578"	956.155651	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Hac-H"	59.013851
"965746"	964.121951	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+NaCOOH"	66.980151
"120120"	932.111202	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Cl"	69.938804
"557493"	1380.682102	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Cl"	69.938804
"1032854"	483.540302	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Cl"	69.938804
"1255712"	976.060685	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Br"	78.918885
"1312693"	978.116672	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+HCOOH"	80.974872
"1321806"	1000.098629	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+NaCOOH"	102.956829
"913959"	1010.127386	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+CF3COOH"	112.985586
"1299054"	1046.104064	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+CF3COOH"	148.962264
"1372841"	862.129124	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-2H2O"	-35.012676
"1389247"	880.1391	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-H2O"	-17.0027
"286016"	1795.290876	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H"	1.007276
"682448"	2692.432676	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H"	1.007276
"1359891"	898.149076	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H"	1.007276
"131686"	898.149076	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2H"	2.014552
"577809"	1346.719976	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2H"	2.014552
"1044420"	449.578176	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H"	2.014552
"211229"	599.101809333333	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H"	3.021828
"652977"	898.149076	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+3H"	3.021828
"1176942"	300.054542666667	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3H"	3.021828
"439488"	1812.317423	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+NH4"	18.033823
"799385"	2709.459223	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+NH4"	18.033823
"1685874"	915.175623	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4"	18.033823
"338889"	906.6623495	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+NH4"	19.041099
"730219"	1355.2332495	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+NH4"	19.041099
"1482948"	458.0914495	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+NH4"	19.041099
"400535"	1817.272818	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na"	22.989218
"765904"	2714.414618	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na"	22.989218
"1607441"	920.131018	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na"	22.989218
"316384"	909.140047	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+Na"	23.996494
"710993"	1357.710947	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+Na"	23.996494
"1474655"	460.569147	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+Na"	23.996494
"1059154"	307.381856666667	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H+Na"	25.00377
"1261927"	930.175286	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+CH3OH+H"	33.033486
"382693"	1833.246758	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+K"	38.963158
"742591"	2730.388558	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+K"	38.963158
"1540755"	936.104958	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K"	38.963158
"307287"	917.127017	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+K"	39.970434
"691483"	1365.697917	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+K"	39.970434
"1446237"	468.556117	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+K"	39.970434
"237757"	1836.317426	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+H"	42.033826
"1212290"	939.175626	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+H"	42.033826
"1199090"	470.091451	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+2H"	43.041102
"194878"	1839.25476	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na-H"	44.97116
"628967"	2736.39656	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na-H"	44.97116
"1133932"	942.11296	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na-H"	44.97116
"174427"	920.131018	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na"	45.978436
"613052"	1368.701918	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na"	45.978436
"1117249"	471.560118	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na"	45.978436
"1400892"	314.709170666667	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+2Na"	46.985712
"1431188"	944.154546	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+HCOOH"	47.012746
"221607"	925.16404	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H2O+2H"	56.04448
"1509066"	958.20659	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+H"	61.06479
"409729"	928.117988	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na+K"	61.952376
"770725"	1376.688888	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na+K"	61.952376
"1669246"	479.547088	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+K"	61.952376
"251518"	1858.299368	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+Na"	64.015768
"1227384"	961.157568	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+Na"	64.015768
"1716638"	961.181093	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+HCOOH"	64.039293
"1179807"	322.036484666667	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3Na"	68.967654
"1651034"	966.136488	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+HCOOH"	68.994688
"157767"	1871.20264	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K-H"	76.91904
"598541"	2768.34444	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K-H"	76.91904
"1085968"	974.06084	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K-H"	76.91904
"143637"	936.104958	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K"	77.926316
"583438"	1384.675858	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K"	77.926316
"1070019"	487.534058	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K"	77.926316
"1101163"	976.075392	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K+H"	78.933592
"1336335"	976.163007	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+DMSO+H"	79.021207
"1006195"	980.202176	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+H"	83.060376
"1524809"	981.195808	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+Na+H"	84.054008
"990531"	490.604726	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+2H"	84.067652
"1587381"	982.110428	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+HCOOH"	84.968628
"1414223"	1012.141938	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+CF3COOH"	115.000138
"1148894"	511.118001	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3ACN+2H"	125.094202
"1699178"	1029.168485	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+CF3COOH"	132.026685
"1645768"	1034.12388	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+CF3COOH"	136.98208
"1578139"	1050.09782	"C03058"	"2-Hydroxyglutaryl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+CF3COOH"	152.95602
"805225"	135.0532	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M"	0
"979852"	116.03481	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-H2O-H"	-19.01839
"73569"	89.0281906666667	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M-3H"	-3.021828
"514221"	134.045924	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M-3H"	-3.021828
"881573"	44.0104573333333	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-3H"	-3.021828
"3308"	134.045924	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M-2H"	-2.014552
"446876"	201.572524	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M-2H"	-2.014552
"819575"	66.519324	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-2H"	-2.014552
"81753"	269.099124	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M-H"	-1.007276
"519852"	404.152324	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M-H"	-1.007276
"900572"	134.045924	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-H"	-1.007276
"49842"	286.125671	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M-2H+NH4"	16.019271
"487946"	421.178871	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M-2H+NH4"	16.019271
"866479"	151.072471	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-2H+NH4"	16.019271
"31782"	291.081066	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M-2H+Na"	20.974666
"472118"	426.134266	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M-2H+Na"	20.974666
"849921"	156.027866	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-2H+Na"	20.974666
"1627475"	156.027866	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Na-2H"	20.974666
"104003"	152.034263	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M-H+Cl"	33.962126
"541377"	219.560863	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M-H+Cl"	33.962126
"929061"	84.507663	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-H+Cl"	33.962126
"271266"	305.075802	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+Cl"	34.969402
"660525"	440.129002	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+Cl"	34.969402
"1277184"	170.022602	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Cl"	34.969402
"23022"	307.055006	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M-2H+K"	36.948606
"458208"	442.108206	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M-2H+K"	36.948606
"846947"	172.001806	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-2H+K"	36.948606
"1566062"	172.001806	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+K-2H"	36.948606
"948475"	180.051394	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-H+HCOOH"	44.998194
"362923"	315.104601	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+HCOOH-H"	44.998201
"353855"	329.120251	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+Hac-H"	59.013851
"1502324"	194.067051	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Hac-H"	59.013851
"963669"	202.033351	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-H+NaCOOH"	66.980151
"115856"	170.022602	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+2Cl"	69.938804
"557603"	237.549202	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+2Cl"	69.938804
"1026403"	102.496002	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2Cl"	69.938804
"1245982"	213.972085	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Br"	78.918885
"1306243"	216.028072	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Cl+HCOOH"	80.974872
"1320578"	238.010029	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Cl+NaCOOH"	102.956829
"912610"	248.038786	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M-H+CF3COOH"	112.985586
"1293697"	284.015464	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Cl+CF3COOH"	148.962264
"1370765"	100.040524	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H-2H2O"	-35.012676
"1389357"	118.0505	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H-H2O"	-17.0027
"285763"	271.113676	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+H"	1.007276
"684745"	406.166876	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+H"	1.007276
"1363281"	136.060476	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H"	1.007276
"131796"	136.060476	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+2H"	2.014552
"573546"	203.587076	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+2H"	2.014552
"1044530"	68.533876	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2H"	2.014552
"211339"	91.0427426666667	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+3H"	3.021828
"650901"	136.060476	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+3H"	3.021828
"1177416"	46.0250093333333	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+3H"	3.021828
"438872"	288.140223	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+NH4"	18.033823
"800589"	423.193423	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+NH4"	18.033823
"1685256"	153.087023	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+NH4"	18.033823
"336813"	144.5737495	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+H+NH4"	19.041099
"730327"	212.1003495	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+H+NH4"	19.041099
"1480870"	77.0471495	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H+NH4"	19.041099
"399552"	293.095618	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+Na"	22.989218
"764921"	428.148818	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+Na"	22.989218
"1610833"	158.042418	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Na"	22.989218
"318682"	147.051447	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+H+Na"	23.996494
"713290"	214.578047	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+H+Na"	23.996494
"1471485"	79.524847	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H+Na"	23.996494
"1058171"	53.3523233333333	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2H+Na"	25.00377
"1260944"	168.086686	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+CH3OH+H"	33.033486
"382802"	309.069558	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+K"	38.963158
"740149"	444.122758	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+K"	38.963158
"1543660"	174.016358	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+K"	38.963158
"304481"	155.038417	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+H+K"	39.970434
"692529"	222.565017	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+H+K"	39.970434
"1448172"	87.511817	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H+K"	39.970434
"238232"	312.140226	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+ACN+H"	42.033826
"1214952"	177.087026	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+ACN+H"	42.033826
"1202116"	89.047151	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+ACN+2H"	43.041102
"196082"	315.07756	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+2Na-H"	44.97116
"629567"	450.13076	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+2Na-H"	44.97116
"1132220"	180.02436	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2Na-H"	44.97116
"174057"	158.042418	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+2Na"	45.978436
"613977"	225.569018	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+2Na"	45.978436
"1115777"	90.515818	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2Na"	45.978436
"1400644"	60.6796373333333	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H+2Na"	46.985712
"1430042"	182.065946	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H+HCOOH"	47.012746
"221719"	163.07544	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+3H2O+2H"	56.04448
"1508488"	196.11799	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+IsoProp+H"	61.06479
"408908"	166.029388	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+Na+K"	61.952376
"770270"	233.555988	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+Na+K"	61.952376
"1669357"	98.502788	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Na+K"	61.952376
"251449"	334.122168	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+ACN+Na"	64.015768
"1226518"	199.068968	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+ACN+Na"	64.015768
"1715655"	199.092493	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+NH4+HCOOH"	64.039293
"1178776"	68.0069513333333	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+3Na"	68.967654
"1650528"	204.047888	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Na+HCOOH"	68.994688
"158370"	347.02544	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+2K-H"	76.91904
"597565"	482.07864	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+2K-H"	76.91904
"1084622"	211.97224	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2K-H"	76.91904
"141477"	174.016358	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"2M+2K"	77.926316
"581724"	241.542958	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"3M+2K"	77.926316
"1069151"	106.489758	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2K"	77.926316
"1100419"	213.986792	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2K+H"	78.933592
"1335642"	214.074407	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+DMSO+H"	79.021207
"1005675"	218.113576	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2ACN+H"	83.060376
"1524336"	219.107208	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+IsoProp+Na+H"	84.054008
"989989"	109.560426	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+2ACN+2H"	84.067652
"1587096"	220.021828	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+K+HCOOH"	84.968628
"1414178"	250.053338	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+H+CF3COOH"	115.000138
"1149368"	130.073701	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+3ACN+2H"	125.094202
"1700381"	267.079885	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+NH4+CF3COOH"	132.026685
"1646971"	272.03528	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+Na+CF3COOH"	136.98208
"1578249"	288.00922	"C03059"	"2-Hydroxymethylserine"	"C4H9NO4"	"135.0532"	"M+K+CF3COOH"	152.95602
"811897"	372.0693	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M"	0
"978869"	353.05091	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-H2O-H"	-19.01839
"68211"	247.038924	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M-3H"	-3.021828
"506678"	371.062024	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M-3H"	-3.021828
"883387"	123.015824	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-3H"	-3.021828
"1717"	371.062024	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M-2H"	-2.014552
"444799"	557.096674	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M-2H"	-2.014552
"820414"	185.027374	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-2H"	-2.014552
"81864"	743.131324	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M-H"	-1.007276
"520327"	1115.200624	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M-H"	-1.007276
"902505"	371.062024	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-H"	-1.007276
"53236"	760.157871	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M-2H+NH4"	16.019271
"490244"	1132.227171	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M-2H+NH4"	16.019271
"868045"	388.088571	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-2H+NH4"	16.019271
"35219"	765.113266	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M-2H+Na"	20.974666
"472958"	1137.182566	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M-2H+Na"	20.974666
"853679"	393.043966	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-2H+Na"	20.974666
"1625400"	393.043966	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Na-2H"	20.974666
"100832"	389.050363	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M-H+Cl"	33.962126
"536023"	575.085013	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M-H+Cl"	33.962126
"932820"	203.015713	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-H+Cl"	33.962126
"273564"	779.108002	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+Cl"	34.969402
"668173"	1151.177302	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+Cl"	34.969402
"1278389"	407.038702	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Cl"	34.969402
"19854"	781.087206	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M-2H+K"	36.948606
"469256"	1153.156506	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M-2H+K"	36.948606
"842687"	409.017906	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-2H+K"	36.948606
"1566172"	409.017906	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+K-2H"	36.948606
"950773"	417.067494	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-H+HCOOH"	44.998194
"363521"	789.136801	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+HCOOH-H"	44.998201
"352872"	803.152451	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+Hac-H"	59.013851
"1501705"	431.083151	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Hac-H"	59.013851
"964873"	439.049451	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-H+NaCOOH"	66.980151
"117060"	407.038702	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+2Cl"	69.938804
"559900"	593.073352	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+2Cl"	69.938804
"1033074"	221.004052	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2Cl"	69.938804
"1254839"	450.988185	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Br"	78.918885
"1310727"	453.044172	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Cl+HCOOH"	80.974872
"1327132"	475.026129	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Cl+NaCOOH"	102.956829
"918192"	485.054886	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M-H+CF3COOH"	112.985586
"1297088"	521.031564	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Cl+CF3COOH"	148.962264
"1376345"	337.056624	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H-2H2O"	-35.012676
"1396030"	355.0666	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H-H2O"	-17.0027
"286967"	745.145876	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+H"	1.007276
"687043"	1117.215176	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+H"	1.007276
"1363391"	373.076576	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H"	1.007276
"130813"	373.076576	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+2H"	2.014552
"572563"	559.111226	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+2H"	2.014552
"1044640"	187.041926	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2H"	2.014552
"210356"	249.053476	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+3H"	3.021828
"651011"	373.076576	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+3H"	3.021828
"1177162"	125.030376	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+3H"	3.021828
"439340"	762.172423	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+NH4"	18.033823
"800579"	1134.241723	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+NH4"	18.033823
"1689741"	390.103123	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+NH4"	18.033823
"335830"	381.5898495	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+H+NH4"	19.041099
"728252"	567.6244995	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+H+NH4"	19.041099
"1482074"	195.5551995	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H+NH4"	19.041099
"398568"	767.127818	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+Na"	22.989218
"759564"	1139.197118	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+Na"	22.989218
"1609850"	395.058518	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Na"	22.989218
"320981"	384.067547	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+H+Na"	23.996494
"713400"	570.102197	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+H+Na"	23.996494
"1471596"	198.032897	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H+Na"	23.996494
"1061561"	132.35769	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2H+Na"	25.00377
"1263241"	405.102786	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+CH3OH+H"	33.033486
"381820"	783.101758	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+K"	38.963158
"743903"	1155.171058	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+K"	38.963158
"1541220"	411.032458	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+K"	38.963158
"307509"	392.054517	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+H+K"	39.970434
"696285"	578.089167	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+H+K"	39.970434
"1446460"	206.019867	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H+K"	39.970434
"237977"	786.172426	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+ACN+H"	42.033826
"1217249"	414.103126	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+ACN+H"	42.033826
"1201133"	207.555201	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+ACN+2H"	43.041102
"198378"	789.10976	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+2Na-H"	44.97116
"635753"	1161.17906	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+2Na-H"	44.97116
"1132333"	417.04046	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2Na-H"	44.97116
"174897"	395.058518	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+2Na"	45.978436
"614816"	581.093168	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+2Na"	45.978436
"1116860"	209.023868	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2Na"	45.978436
"1399656"	139.685004	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H+2Na"	46.985712
"1431413"	419.082046	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H+HCOOH"	47.012746
"222563"	400.09154	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+3H2O+2H"	56.04448
"1510261"	433.13409	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+IsoProp+H"	61.06479
"409947"	403.045488	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+Na+K"	61.952376
"770257"	589.080138	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+Na+K"	61.952376
"1666918"	217.010838	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Na+K"	61.952376
"252342"	808.154368	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+ACN+Na"	64.015768
"1226869"	436.085068	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+ACN+Na"	64.015768
"1713443"	436.108593	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+NH4+HCOOH"	64.039293
"1179083"	147.012318	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+3Na"	68.967654
"1650311"	441.063988	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Na+HCOOH"	68.994688
"157981"	821.05764	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+2K-H"	76.91904
"598634"	1193.12694	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+2K-H"	76.91904
"1085944"	448.98834	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2K-H"	76.91904
"142273"	411.032458	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"2M+2K"	77.926316
"581715"	597.067108	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"3M+2K"	77.926316
"1069384"	224.997808	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2K"	77.926316
"1101137"	451.002892	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2K+H"	78.933592
"1336183"	451.090507	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+DMSO+H"	79.021207
"1005886"	455.129676	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2ACN+H"	83.060376
"1524252"	456.123308	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+IsoProp+Na+H"	84.054008
"990501"	228.068476	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+2ACN+2H"	84.067652
"1587271"	457.037928	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+K+HCOOH"	84.968628
"1414398"	487.069438	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+H+CF3COOH"	115.000138
"1148385"	248.581751	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+3ACN+2H"	125.094202
"1701584"	504.095985	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+NH4+CF3COOH"	132.026685
"1645989"	509.05138	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+Na+CF3COOH"	136.98208
"1575079"	525.02532	"C03062"	"2-O-Caffeoylglucarate"	"C15H16O11"	"372.0693"	"M+K+CF3COOH"	152.95602
"805445"	172.0372	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M"	0
"977885"	153.01881	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"66134"	113.684190666667	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"504965"	171.029924	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"880580"	56.3384573333333	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"368"	171.029924	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"443815"	257.048524	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"818337"	85.011324	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"79058"	343.067124	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"521532"	515.104324	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"899699"	171.029924	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"50428"	360.093671	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"488408"	532.130871	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"865602"	188.056471	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"34235"	365.049066	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"472093"	537.086266	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"849290"	193.011866	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1622230"	193.011866	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"99850"	189.018263	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"537226"	275.036863	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"930742"	102.999663	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"273674"	379.043802	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"668283"	551.081002	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1278499"	207.006602	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"21057"	381.023006	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"468272"	553.060206	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"842796"	208.985806	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1567375"	208.985806	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"950883"	217.035394	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"366911"	389.072601	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"352982"	403.088251	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1499628"	231.051051	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"962796"	239.017351	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"113890"	207.006602	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"560739"	293.025202	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1035859"	120.988002	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1252762"	250.956085	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1310836"	253.012072	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1327242"	274.994029	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"918302"	285.022786	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1298292"	320.999464	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1379736"	137.024524	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1392860"	155.0345	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"297288"	345.081676	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"686791"	517.118876	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1364596"	173.044476	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"132017"	173.044476	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"573764"	259.063076	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1045844"	87.025876	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"209372"	115.698742666667	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"650028"	173.044476	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1170340"	58.3530093333333	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"437990"	362.108223	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"799350"	534.145423	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1686571"	190.071023	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"335940"	181.5577495	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"727268"	267.5763495	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1479997"	95.5391495	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"394668"	367.063618	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"765142"	539.100818	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1611054"	195.026418	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"319997"	184.035447	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"715699"	270.054047	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1466243"	98.016847	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1061672"	65.6803233333333	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1262258"	205.070686	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"384114"	383.037558	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"744379"	555.074758	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1542789"	211.000358	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"302880"	192.022417	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"692505"	278.041017	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1448757"	106.003817	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"236992"	386.108226	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1214079"	214.071026	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1199057"	107.539151	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"198489"	389.04556	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"638052"	561.08276	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1132806"	217.00836	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"173548"	195.026418	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"614561"	281.045018	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1117701"	109.007818	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1401228"	73.0076373333333	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1432250"	219.049946	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"221582"	200.05944	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1510373"	233.10199	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"410420"	203.013388	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"770811"	289.031988	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1666657"	116.994788	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"255004"	408.090168	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1228069"	236.052968	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1713796"	236.076493	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1178947"	80.3349513333333	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1650381"	241.031888	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"158333"	420.99344	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"597895"	593.03064	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1085121"	248.95624	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"142221"	211.000358	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"581742"	297.018958	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1069981"	124.981758	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1100640"	250.970792	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1336175"	251.058407	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1005732"	255.097576	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1524780"	256.091208	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"990166"	128.052426	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1587076"	257.005828	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1414278"	287.037338	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1148495"	148.565701	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1701694"	304.063885	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1640631"	309.01928	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1578469"	324.99322	"C03063"	"2-Oxohept-3-enedioate;2-Oxohept-3-ene-17-dioate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"814303"	134.0215	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M"	0
"983463"	115.00311	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-H2O-H"	-19.01839
"71711"	88.3403906666667	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M-3H"	-3.021828
"505805"	133.014224	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M-3H"	-3.021828
"880568"	43.6665573333333	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-3H"	-3.021828
"1209"	133.014224	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M-2H"	-2.014552
"449392"	200.024974	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M-2H"	-2.014552
"819542"	66.003474	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-2H"	-2.014552
"82815"	267.035724	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M-H"	-1.007276
"527841"	401.057224	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M-H"	-1.007276
"905643"	133.014224	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-H"	-1.007276
"57830"	284.062271	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M-2H+NH4"	16.019271
"498484"	418.083771	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M-2H+NH4"	16.019271
"868997"	150.040771	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-2H+NH4"	16.019271
"36534"	289.017666	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M-2H+Na"	20.974666
"476826"	423.039166	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M-2H+Na"	20.974666
"853897"	154.996166	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-2H+Na"	20.974666
"1627807"	154.996166	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Na-2H"	20.974666
"107252"	151.002563	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M-H+Cl"	33.962126
"538793"	218.013313	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M-H+Cl"	33.962126
"928542"	83.991813	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-H+Cl"	33.962126
"271596"	303.012402	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+Cl"	34.969402
"672768"	437.033902	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+Cl"	34.969402
"1280796"	168.990902	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Cl"	34.969402
"21168"	304.991606	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M-2H+K"	36.948606
"466197"	439.013106	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M-2H+K"	36.948606
"841810"	170.970106	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-2H+K"	36.948606
"1565301"	170.970106	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+K-2H"	36.948606
"957843"	179.019694	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-H+HCOOH"	44.998194
"373585"	313.041201	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+HCOOH-H"	44.998201
"357468"	327.056851	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+Hac-H"	59.013851
"1501927"	193.035351	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Hac-H"	59.013851
"968375"	201.001651	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-H+NaCOOH"	66.980151
"123114"	168.990902	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+2Cl"	69.938804
"564862"	236.001652	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+2Cl"	69.938804
"1036457"	101.980152	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2Cl"	69.938804
"1256804"	212.940385	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Br"	78.918885
"1309857"	214.996372	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Cl+HCOOH"	80.974872
"1331729"	236.978329	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Cl+NaCOOH"	102.956829
"925707"	247.007086	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M-H+CF3COOH"	112.985586
"1301689"	282.983764	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Cl+CF3COOH"	148.962264
"1374381"	99.008824	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H-2H2O"	-35.012676
"1397591"	117.0188	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H-H2O"	-17.0027
"298126"	269.050276	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+H"	1.007276
"689821"	403.071776	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+H"	1.007276
"1366172"	135.028776	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H"	1.007276
"137959"	135.028776	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+2H"	2.014552
"576063"	202.039526	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+2H"	2.014552
"1050331"	68.018026	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2H"	2.014552
"209482"	90.3549426666667	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+3H"	3.021828
"653419"	135.028776	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+3H"	3.021828
"1176893"	45.6811093333333	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+3H"	3.021828
"439949"	286.076823	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+NH4"	18.033823
"801342"	420.098323	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+NH4"	18.033823
"1693243"	152.055323	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+NH4"	18.033823
"342615"	143.5420495	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+H+NH4"	19.041099
"732850"	210.5527995	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+H+NH4"	19.041099
"1487764"	76.5312995	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H+NH4"	19.041099
"403162"	291.032218	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+Na"	22.989218
"765253"	425.053718	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+Na"	22.989218
"1616631"	157.010718	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Na"	22.989218
"321199"	146.019747	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+H+Na"	23.996494
"716903"	213.030497	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+H+Na"	23.996494
"1465259"	79.008997	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H+Na"	23.996494
"1058504"	53.0084233333333	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2H+Na"	25.00377
"1265650"	167.054986	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+CH3OH+H"	33.033486
"384224"	307.006158	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+K"	38.963158
"744129"	441.027658	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+K"	38.963158
"1545450"	172.984658	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+K"	38.963158
"302263"	154.006717	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+H+K"	39.970434
"695779"	221.017467	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+H+K"	39.970434
"1449600"	86.995967	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H+K"	39.970434
"244762"	310.076826	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+ACN+H"	42.033826
"1214192"	176.055326	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+ACN+H"	42.033826
"1200262"	88.531301	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+ACN+2H"	43.041102
"199331"	313.01416	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+2Na-H"	44.97116
"635247"	447.03566	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+2Na-H"	44.97116
"1133647"	178.99266	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2Na-H"	44.97116
"178399"	157.010718	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+2Na"	45.978436
"615764"	224.021468	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+2Na"	45.978436
"1118540"	89.999968	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2Na"	45.978436
"1401333"	60.3357373333333	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H+2Na"	46.985712
"1432356"	181.034246	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H+HCOOH"	47.012746
"223878"	162.04374	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+3H2O+2H"	56.04448
"1509388"	195.08629	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+IsoProp+H"	61.06479
"411994"	164.997688	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+Na+K"	61.952376
"772993"	232.008438	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+Na+K"	61.952376
"1670051"	97.986938	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Na+K"	61.952376
"257303"	332.058768	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+ACN+Na"	64.015768
"1227094"	198.037268	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+ACN+Na"	64.015768
"1716717"	198.060793	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+NH4+HCOOH"	64.039293
"1179881"	67.6630513333333	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+3Na"	68.967654
"1650172"	203.016188	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Na+HCOOH"	68.994688
"159918"	344.96204	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+2K-H"	76.91904
"600571"	478.98354	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+2K-H"	76.91904
"1085319"	210.94054	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2K-H"	76.91904
"142740"	172.984658	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"2M+2K"	77.926316
"581938"	239.995408	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"3M+2K"	77.926316
"1069000"	105.973908	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2K"	77.926316
"1100143"	212.955092	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2K+H"	78.933592
"1336167"	213.042707	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+DMSO+H"	79.021207
"1006159"	217.081876	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2ACN+H"	83.060376
"1525015"	218.075508	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+IsoProp+Na+H"	84.054008
"990856"	109.044576	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+2ACN+2H"	84.067652
"1587257"	218.990128	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+K+HCOOH"	84.968628
"1415396"	249.021638	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+H+CF3COOH"	115.000138
"1147264"	129.557851	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+3ACN+2H"	125.094202
"1697429"	266.048185	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+NH4+CF3COOH"	132.026685
"1647301"	271.00358	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+Na+CF3COOH"	136.98208
"1578579"	286.97752	"C03064"	"3-Dehydro-L-threonate"	"C4H6O5"	"134.0215"	"M+K+CF3COOH"	152.95602
"814415"	131.0695	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M"	0
"981387"	112.05111	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-H2O-H"	-19.01839
"66717"	86.3723906666667	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M-3H"	-3.021828
"509193"	130.062224	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M-3H"	-3.021828
"885900"	42.6825573333333	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-3H"	-3.021828
"5572"	130.062224	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M-2H"	-2.014552
"449506"	195.596974	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M-2H"	-2.014552
"824029"	64.527474	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-2H"	-2.014552
"88393"	261.131724	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M-H"	-1.007276
"523582"	392.201224	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M-H"	-1.007276
"899196"	130.062224	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-H"	-1.007276
"49562"	278.158271	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M-2H+NH4"	16.019271
"490215"	409.227771	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M-2H+NH4"	16.019271
"867652"	147.088771	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-2H+NH4"	16.019271
"37012"	283.113666	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M-2H+Na"	20.974666
"479490"	414.183166	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M-2H+Na"	20.974666
"861667"	152.044166	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-2H+Na"	20.974666
"1623546"	152.044166	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Na-2H"	20.974666
"97888"	148.050563	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M-H+Cl"	33.962126
"536355"	213.585313	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M-H+Cl"	33.962126
"939714"	82.515813	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-H+Cl"	33.962126
"279364"	297.108402	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+Cl"	34.969402
"665223"	428.177902	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+Cl"	34.969402
"1285283"	166.038902	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Cl"	34.969402
"27840"	299.087606	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M-2H+K"	36.948606
"470681"	430.157106	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M-2H+K"	36.948606
"844109"	168.018106	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-2H+K"	36.948606
"1570516"	168.018106	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+K-2H"	36.948606
"958278"	176.067694	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-H+HCOOH"	44.998194
"375883"	307.137201	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+HCOOH-H"	44.998201
"361274"	321.152851	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+Hac-H"	59.013851
"1507141"	190.083351	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Hac-H"	59.013851
"972860"	198.049651	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-H+NaCOOH"	66.980151
"124318"	166.038902	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+2Cl"	69.938804
"564242"	231.573652	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+2Cl"	69.938804
"1034498"	100.504152	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2Cl"	69.938804
"1255169"	209.988385	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Br"	78.918885
"1317260"	212.044372	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Cl+HCOOH"	80.974872
"1333665"	234.026329	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Cl+NaCOOH"	102.956829
"925456"	244.055086	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M-H+CF3COOH"	112.985586
"1303628"	280.031764	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Cl+CF3COOH"	148.962264
"1379230"	96.056824	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H-2H2O"	-35.012676
"1397097"	114.0668	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H-H2O"	-17.0027
"297147"	263.146276	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+H"	1.007276
"690298"	394.215776	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+H"	1.007276
"1365188"	132.076776	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H"	1.007276
"139898"	132.076776	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+2H"	2.014552
"572893"	197.611526	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+2H"	2.014552
"1049350"	66.542026	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2H"	2.014552
"210686"	88.3869426666667	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+3H"	3.021828
"653529"	132.076776	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+3H"	3.021828
"1172748"	44.6971093333333	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+3H"	3.021828
"439958"	280.172823	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+NH4"	18.033823
"800913"	411.242323	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+NH4"	18.033823
"1694085"	149.103323	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+NH4"	18.033823
"342000"	140.5900495	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+H+NH4"	19.041099
"732961"	206.1247995	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+H+NH4"	19.041099
"1489700"	75.0552995	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H+NH4"	19.041099
"403274"	285.128218	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+Na"	22.989218
"767917"	416.197718	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+Na"	22.989218
"1615648"	154.058718	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Na"	22.989218
"327877"	143.067747	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+H+Na"	23.996494
"721392"	208.602497	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+H+Na"	23.996494
"1468649"	77.532997	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H+Na"	23.996494
"1058614"	52.0244233333333	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2H+Na"	25.00377
"1267949"	164.102986	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+CH3OH+H"	33.033486
"388709"	301.102158	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+K"	38.963158
"745333"	432.171658	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+K"	38.963158
"1549571"	170.032658	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+K"	38.963158
"304196"	151.054717	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+H+K"	39.970434
"701358"	216.589467	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+H+K"	39.970434
"1455179"	85.519967	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H+K"	39.970434
"245967"	304.172826	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+ACN+H"	42.033826
"1216854"	173.103326	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+ACN+H"	42.033826
"1202559"	87.055301	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+ACN+2H"	43.041102
"200170"	307.11016	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+2Na-H"	44.97116
"633534"	438.17966	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+2Na-H"	44.97116
"1135218"	176.04066	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2Na-H"	44.97116
"176324"	154.058718	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+2Na"	45.978436
"614785"	219.593468	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+2Na"	45.978436
"1117560"	88.523968	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2Na"	45.978436
"1401811"	59.3517373333333	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H+2Na"	46.985712
"1432106"	178.082246	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H+HCOOH"	47.012746
"221437"	159.09174	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+3H2O+2H"	56.04448
"1510229"	192.13429	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+IsoProp+H"	61.06479
"408631"	162.045688	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+Na+K"	61.952376
"772376"	227.580438	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+Na+K"	61.952376
"1670160"	96.510938	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Na+K"	61.952376
"258506"	326.154768	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+ACN+Na"	64.015768
"1227935"	195.085268	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+ACN+Na"	64.015768
"1719014"	195.108793	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+NH4+HCOOH"	64.039293
"1183277"	66.6790513333333	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+3Na"	68.967654
"1654261"	200.064188	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Na+HCOOH"	68.994688
"164403"	339.05804	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+2K-H"	76.91904
"606151"	470.12754	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+2K-H"	76.91904
"1088475"	207.98854	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2K-H"	76.91904
"147480"	170.032658	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"2M+2K"	77.926316
"581445"	235.567408	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"3M+2K"	77.926316
"1069361"	104.497908	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2K"	77.926316
"1102575"	210.003092	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2K+H"	78.933592
"1341147"	210.090707	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+DMSO+H"	79.021207
"1010770"	214.129876	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2ACN+H"	83.060376
"1525737"	215.123508	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+IsoProp+Na+H"	84.054008
"991091"	107.568576	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+2ACN+2H"	84.067652
"1588510"	216.038128	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+K+HCOOH"	84.968628
"1415870"	246.069638	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+H+CF3COOH"	115.000138
"1150174"	128.081851	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+3ACN+2H"	125.094202
"1698633"	263.096185	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+NH4+CF3COOH"	132.026685
"1649235"	268.05158	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+Na+CF3COOH"	136.98208
"1578689"	284.02552	"C03065"	"3-Guanidinopropanoate;Guanidinopropionic acid"	"C4H9N3O2"	"131.0695"	"M+K+CF3COOH"	152.95602
"809055"	163.0481	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M"	0
"976393"	144.02971	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H2O-H"	-19.01839
"63305"	107.691457333333	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-3H"	-3.021828
"503471"	162.040824	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-3H"	-3.021828
"882000"	53.3420906666667	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-3H"	-3.021828
"3494"	162.040824	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H"	-2.014552
"441960"	243.564874	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H"	-2.014552
"820856"	80.516774	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H"	-2.014552
"79753"	325.088924	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-H"	-1.007276
"522595"	488.137024	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-H"	-1.007276
"902583"	162.040824	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H"	-1.007276
"51490"	342.115471	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H+NH4"	16.019271
"487889"	505.163571	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H+NH4"	16.019271
"865569"	179.067371	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H+NH4"	16.019271
"37122"	347.070866	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H+Na"	20.974666
"471816"	510.118966	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H+Na"	20.974666
"857400"	184.022766	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H+Na"	20.974666
"1626934"	184.022766	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na-2H"	20.974666
"101278"	180.029163	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-H+Cl"	33.962126
"535124"	261.553213	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-H+Cl"	33.962126
"929980"	98.505113	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+Cl"	33.962126
"272911"	361.065602	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Cl"	34.969402
"665333"	524.113702	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+Cl"	34.969402
"1278829"	198.017502	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl"	34.969402
"23574"	363.044806	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H+K"	36.948606
"460948"	526.092906	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H+K"	36.948606
"846770"	199.996706	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H+K"	36.948606
"1569165"	199.996706	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K-2H"	36.948606
"955953"	208.046294	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+HCOOH"	44.998194
"368335"	371.094401	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+HCOOH-H"	44.998201
"352219"	385.110051	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Hac-H"	59.013851
"1507615"	222.061951	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Hac-H"	59.013851
"972239"	230.028251	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+NaCOOH"	66.980151
"123333"	198.017502	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2Cl"	69.938804
"559246"	279.541552	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2Cl"	69.938804
"1030234"	116.493452	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2Cl"	69.938804
"1247626"	241.966985	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Br"	78.918885
"1319680"	244.022972	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl+HCOOH"	80.974872
"1333410"	266.004929	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl+NaCOOH"	102.956829
"925930"	276.033686	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+CF3COOH"	112.985586
"1303007"	312.010364	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl+CF3COOH"	148.962264
"1381536"	128.035424	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H-2H2O"	-35.012676
"1397569"	146.0454	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H-H2O"	-17.0027
"296892"	327.103476	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H"	1.007276
"690408"	490.151576	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H"	1.007276
"1364206"	164.055376	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H"	1.007276
"138912"	164.055376	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2H"	2.014552
"576283"	245.579426	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2H"	2.014552
"1048732"	82.531326	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2H"	2.014552
"210796"	109.706009333333	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+3H"	3.021828
"654370"	164.055376	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+3H"	3.021828
"1175899"	55.3566426666667	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+3H"	3.021828
"439894"	344.130023	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+NH4"	18.033823
"796400"	507.178123	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+NH4"	18.033823
"1694559"	181.081923	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+NH4"	18.033823
"341746"	172.5686495	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H+NH4"	19.041099
"734165"	254.0926995	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H+NH4"	19.041099
"1490540"	91.0445995	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+NH4"	19.041099
"402291"	349.085418	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Na"	22.989218
"768393"	512.133518	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+Na"	22.989218
"1612479"	186.037318	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na"	22.989218
"328474"	175.046347	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H+Na"	23.996494
"721017"	256.570397	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H+Na"	23.996494
"1470947"	93.522297	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+Na"	23.996494
"1059819"	62.6839566666667	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2H+Na"	25.00377
"1268059"	196.081586	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+CH3OH+H"	33.033486
"385539"	365.059358	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+K"	38.963158
"748724"	528.107458	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+K"	38.963158
"1548587"	202.011258	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K"	38.963158
"305765"	183.033317	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H+K"	39.970434
"699282"	264.557367	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H+K"	39.970434
"1453105"	101.509267	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+K"	39.970434
"246077"	368.130026	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+ACN+H"	42.033826
"1216602"	205.081926	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+ACN+H"	42.033826
"1205950"	103.044601	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+ACN+2H"	43.041102
"194449"	371.06736	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2Na-H"	44.97116
"639114"	534.11546	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2Na-H"	44.97116
"1136424"	208.01926	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2Na-H"	44.97116
"175828"	186.037318	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2Na"	45.978436
"619273"	267.561368	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2Na"	45.978436
"1116941"	104.513268	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2Na"	45.978436
"1401191"	70.0112706666667	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+2Na"	46.985712
"1432216"	210.060846	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+HCOOH"	47.012746
"222151"	191.07034	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+3H2O+2H"	56.04448
"1510339"	224.11289	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+IsoProp+H"	61.06479
"410391"	194.024288	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Na+K"	61.952376
"773578"	275.548338	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+Na+K"	61.952376
"1669179"	112.500238	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na+K"	61.952376
"256431"	390.111968	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+ACN+Na"	64.015768
"1229141"	227.063868	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+ACN+Na"	64.015768
"1718395"	227.087393	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+NH4+HCOOH"	64.039293
"1184481"	77.3385846666667	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+3Na"	68.967654
"1655466"	232.042788	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na+HCOOH"	68.994688
"160504"	403.01524	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2K-H"	76.91904
"606261"	566.06334	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2K-H"	76.91904
"1091866"	239.96714	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2K-H"	76.91904
"142122"	202.011258	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2K"	77.926316
"581722"	283.535308	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2K"	77.926316
"1068868"	120.487208	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2K"	77.926316
"1100169"	241.981692	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2K+H"	78.933592
"1337977"	242.069307	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+DMSO+H"	79.021207
"1008693"	246.108476	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2ACN+H"	83.060376
"1525847"	247.102108	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+IsoProp+Na+H"	84.054008
"991443"	123.557876	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2ACN+2H"	84.067652
"1588134"	248.016728	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K+HCOOH"	84.968628
"1415616"	278.048238	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+CF3COOH"	115.000138
"1148097"	144.071151	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+3ACN+2H"	125.094202
"1698743"	295.074785	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+NH4+CF3COOH"	132.026685
"1649709"	300.03018	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na+CF3COOH"	136.98208
"1578799"	316.00412	"C03066"	"3-Hydroxy-L-glutamate;3-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K+CF3COOH"	152.95602
"805885"	122.0368	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M"	0
"975409"	103.01841	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H2O-H"	-19.01839
"63294"	80.3505906666667	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-3H"	-3.021828
"505041"	121.029524	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-3H"	-3.021828
"880329"	39.6716573333333	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-3H"	-3.021828
"1417"	121.029524	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H"	-2.014552
"442070"	182.047924	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H"	-2.014552
"820964"	60.011124	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H"	-2.014552
"82049"	243.066324	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-H"	-1.007276
"524891"	365.103124	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-H"	-1.007276
"897224"	121.029524	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H"	-1.007276
"50141"	260.092871	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+NH4"	16.019271
"490430"	382.129671	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+NH4"	16.019271
"867867"	138.056071	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+NH4"	16.019271
"37961"	265.048266	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+Na"	20.974666
"473871"	387.085066	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+Na"	20.974666
"854594"	143.011466	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+Na"	20.974666
"1621577"	143.011466	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na-2H"	20.974666
"94783"	139.017863	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-H+Cl"	33.962126
"535840"	200.036263	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-H+Cl"	33.962126
"930089"	77.999463	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+Cl"	33.962126
"271928"	279.043002	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Cl"	34.969402
"665443"	401.079802	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Cl"	34.969402
"1274565"	157.006202	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl"	34.969402
"19309"	281.022206	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+K"	36.948606
"461057"	403.059006	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+K"	36.948606
"845421"	158.985406	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+K"	36.948606
"1568909"	158.985406	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K-2H"	36.948606
"956064"	167.034994	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+HCOOH"	44.998194
"368444"	289.071801	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+HCOOH-H"	44.998201
"354515"	303.087451	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Hac-H"	59.013851
"1505172"	181.050651	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Hac-H"	59.013851
"971256"	189.016951	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+NaCOOH"	66.980151
"121984"	157.006202	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Cl"	69.938804
"559356"	218.024602	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Cl"	69.938804
"1033622"	95.987802	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Cl"	69.938804
"1254294"	200.955685	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Br"	78.918885
"1317116"	203.011672	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+HCOOH"	80.974872
"1333520"	224.993629	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+NaCOOH"	102.956829
"926037"	235.022386	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+CF3COOH"	112.985586
"1303000"	270.999064	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+CF3COOH"	148.962264
"1382011"	87.024124	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H-2H2O"	-35.012676
"1397679"	105.0341	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H-H2O"	-17.0027
"297607"	245.080876	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H"	1.007276
"687965"	367.117676	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H"	1.007276
"1363222"	123.044076	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H"	1.007276
"138661"	123.044076	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2H"	2.014552
"573114"	184.062476	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2H"	2.014552
"1048841"	62.025676	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2H"	2.014552
"208355"	82.3651426666667	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+3H"	3.021828
"651562"	123.044076	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+3H"	3.021828
"1175158"	41.6862093333333	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3H"	3.021828
"438312"	262.107423	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+NH4"	18.033823
"797237"	384.144223	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+NH4"	18.033823
"1692483"	140.070623	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4"	18.033823
"342951"	131.5573495	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+NH4"	19.041099
"736465"	192.5757495	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+NH4"	19.041099
"1490288"	70.5389495	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+NH4"	19.041099
"405318"	267.062818	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Na"	22.989218
"768503"	389.099618	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Na"	22.989218
"1611496"	145.026018	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na"	22.989218
"327732"	134.035047	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+Na"	23.996494
"719792"	195.053447	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+Na"	23.996494
"1473976"	73.016647	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+Na"	23.996494
"1065398"	49.0135233333333	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2H+Na"	25.00377
"1270357"	155.070286	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+CH3OH+H"	33.033486
"390023"	283.036758	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+K"	38.963158
"748834"	405.073558	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+K"	38.963158
"1547605"	160.999958	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K"	38.963158
"303690"	142.022017	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+K"	39.970434
"695385"	203.040417	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+K"	39.970434
"1448111"	81.003617	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+K"	39.970434
"244001"	286.107426	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+ACN+H"	42.033826
"1215616"	164.070626	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+H"	42.033826
"1200593"	82.538951	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+2H"	43.041102
"193830"	289.04476	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Na-H"	44.97116
"640683"	411.08156	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Na-H"	44.97116
"1134345"	167.00796	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Na-H"	44.97116
"175817"	145.026018	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Na"	45.978436
"615372"	206.044418	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Na"	45.978436
"1117782"	84.007618	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Na"	45.978436
"1401670"	56.3408373333333	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+2Na"	46.985712
"1432693"	169.049546	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+HCOOH"	47.012746
"223851"	150.05904	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+3H2O+2H"	56.04448
"1509349"	183.10159	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+IsoProp+H"	61.06479
"411594"	153.012988	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Na+K"	61.952376
"773325"	214.031388	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Na+K"	61.952376
"1669652"	91.994588	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+K"	61.952376
"257634"	308.089368	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+ACN+Na"	64.015768
"1231804"	186.052568	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+Na"	64.015768
"1716682"	186.076093	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4+HCOOH"	64.039293
"1187871"	63.6681513333333	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3Na"	68.967654
"1651932"	191.031488	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+HCOOH"	68.994688
"159523"	320.99264	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2K-H"	76.91904
"601999"	443.02944	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2K-H"	76.91904
"1087968"	198.95584	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K-H"	76.91904
"142476"	160.999958	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2K"	77.926316
"583251"	222.018358	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2K"	77.926316
"1069222"	99.981558	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K"	77.926316
"1103889"	200.970392	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K+H"	78.933592
"1336994"	201.058007	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+DMSO+H"	79.021207
"1008803"	205.097176	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2ACN+H"	83.060376
"1525836"	206.090808	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+IsoProp+Na+H"	84.054008
"992282"	103.052226	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2ACN+2H"	84.067652
"1588609"	207.005428	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K+HCOOH"	84.968628
"1415362"	237.036938	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+CF3COOH"	115.000138
"1151488"	123.565501	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3ACN+2H"	125.094202
"1699947"	254.063485	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4+CF3COOH"	132.026685
"1638884"	259.01888	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+CF3COOH"	136.98208
"1578909"	274.99282	"C03067"	"3-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K+CF3COOH"	152.95602
"812556"	252.111	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M"	0
"980622"	233.09261	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-H2O-H"	-19.01839
"65591"	167.066724	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M-3H"	-3.021828
"503570"	251.103724	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M-3H"	-3.021828
"882953"	83.029724	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-3H"	-3.021828
"594"	251.103724	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M-2H"	-2.014552
"446554"	377.159224	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M-2H"	-2.014552
"821075"	125.048224	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-2H"	-2.014552
"86535"	503.214724	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M-H"	-1.007276
"528281"	755.325724	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M-H"	-1.007276
"901709"	251.103724	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-H"	-1.007276
"52804"	520.241271	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M-2H+NH4"	16.019271
"491271"	772.352271	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M-2H+NH4"	16.019271
"866886"	268.130271	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-2H+NH4"	16.019271
"36978"	525.196666	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M-2H+Na"	20.974666
"474346"	777.307666	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M-2H+Na"	20.974666
"854341"	273.085666	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-2H+Na"	20.974666
"1619500"	273.085666	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Na-2H"	20.974666
"94526"	269.092063	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M-H+Cl"	33.962126
"534451"	395.147563	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M-H+Cl"	33.962126
"927091"	143.036563	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-H+Cl"	33.962126
"268028"	539.191402	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+Cl"	34.969402
"661543"	791.302402	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+Cl"	34.969402
"1274675"	287.080402	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Cl"	34.969402
"17233"	541.170606	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M-2H+K"	36.948606
"461168"	793.281606	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M-2H+K"	36.948606
"843344"	289.059606	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-2H+K"	36.948606
"1566832"	289.059606	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+K-2H"	36.948606
"951434"	297.109194	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-H+HCOOH"	44.998194
"364181"	549.220201	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+HCOOH-H"	44.998201
"350252"	563.235851	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+Hac-H"	59.013851
"1505282"	311.124851	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Hac-H"	59.013851
"970636"	319.091151	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-H+NaCOOH"	66.980151
"121001"	287.080402	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+2Cl"	69.938804
"557279"	413.135902	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+2Cl"	69.938804
"1030452"	161.024902	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2Cl"	69.938804
"1255498"	331.029885	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Br"	78.918885
"1317226"	333.085872	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Cl+HCOOH"	80.974872
"1334723"	355.067829	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Cl+NaCOOH"	102.956829
"923959"	365.096586	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M-H+CF3COOH"	112.985586
"1303227"	401.073264	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Cl+CF3COOH"	148.962264
"1382112"	217.098324	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H-2H2O"	-35.012676
"1397425"	235.1083	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H-H2O"	-17.0027
"298204"	505.229276	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+H"	1.007276
"689170"	757.340276	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+H"	1.007276
"1364789"	253.118276	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H"	1.007276
"139859"	253.118276	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+2H"	2.014552
"573224"	379.173776	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+2H"	2.014552
"1050771"	127.062776	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2H"	2.014552
"208830"	169.081276	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+3H"	3.021828
"651672"	253.118276	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+3H"	3.021828
"1175995"	85.044276	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+3H"	3.021828
"438057"	522.255823	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+NH4"	18.033823
"798441"	774.366823	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+NH4"	18.033823
"1694049"	270.144823	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+NH4"	18.033823
"343788"	261.6315495	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+H+NH4"	19.041099
"735117"	387.6870495	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+H+NH4"	19.041099
"1491981"	135.5760495	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H+NH4"	19.041099
"402511"	527.211218	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+Na"	22.989218
"768491"	779.322218	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+Na"	22.989218
"1614157"	275.100218	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Na"	22.989218
"328206"	264.109247	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+H+Na"	23.996494
"720631"	390.164747	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+H+Na"	23.996494
"1474449"	138.053747	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H+Na"	23.996494
"1065872"	92.37159	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2H+Na"	25.00377
"1270467"	285.144486	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+CH3OH+H"	33.033486
"388675"	543.185158	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+K"	38.963158
"748944"	795.296158	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+K"	38.963158
"1546622"	291.074158	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+K"	38.963158
"304897"	272.096217	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+H+K"	39.970434
"696222"	398.151717	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+H+K"	39.970434
"1448221"	146.040717	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H+K"	39.970434
"243017"	546.255826	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+ACN+H"	42.033826
"1216819"	294.144826	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+ACN+H"	42.033826
"1198881"	147.576051	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+ACN+2H"	43.041102
"196856"	549.19316	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+2Na-H"	44.97116
"638605"	801.30416	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+2Na-H"	44.97116
"1137006"	297.08216	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2Na-H"	44.97116
"173857"	275.100218	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+2Na"	45.978436
"615481"	401.155718	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+2Na"	45.978436
"1117525"	149.044718	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2Na"	45.978436
"1401054"	99.698904	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H+2Na"	46.985712
"1434266"	299.123746	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H+HCOOH"	47.012746
"221765"	280.13324	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+3H2O+2H"	56.04448
"1509094"	313.17579	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+IsoProp+H"	61.06479
"408902"	283.087188	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+Na+K"	61.952376
"770091"	409.142688	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+Na+K"	61.952376
"1669031"	157.031688	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Na+K"	61.952376
"255919"	568.237768	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+ACN+Na"	64.015768
"1231550"	316.126768	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+ACN+Na"	64.015768
"1723721"	316.150293	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+NH4+HCOOH"	64.039293
"1187984"	107.026218	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+3Na"	68.967654
"1651314"	321.105688	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Na+HCOOH"	68.994688
"160362"	581.14104	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+2K-H"	76.91904
"603203"	833.25204	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+2K-H"	76.91904
"1086621"	329.03004	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2K-H"	76.91904
"143074"	291.074158	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"2M+2K"	77.926316
"585186"	417.129658	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"3M+2K"	77.926316
"1070063"	165.018658	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2K"	77.926316
"1106187"	331.044592	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2K+H"	78.933592
"1339292"	331.132207	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+DMSO+H"	79.021207
"1007820"	335.171376	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2ACN+H"	83.060376
"1525094"	336.165008	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+IsoProp+Na+H"	84.054008
"991053"	168.089326	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+2ACN+2H"	84.067652
"1587627"	337.079628	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+K+HCOOH"	84.968628
"1414743"	367.111138	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+H+CF3COOH"	115.000138
"1151598"	188.602601	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+3ACN+2H"	125.094202
"1702246"	384.137685	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+NH4+CF3COOH"	132.026685
"1641181"	389.09308	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+Na+CF3COOH"	136.98208
"1575739"	405.06702	"C03068"	"3-Hydroxyhexobarbital"	"C12H16N2O4"	"252.111"	"M+K+CF3COOH"	152.95602
"809385"	849.1571	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M"	0
"982919"	830.13871	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H2O-H"	-19.01839
"74450"	565.097457333333	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-3H"	-3.021828
"506356"	848.149824	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-3H"	-3.021828
"885252"	282.045090666667	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-3H"	-3.021828
"1029"	848.149824	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H"	-2.014552
"452132"	1272.728374	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H"	-2.014552
"826654"	423.571274	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H"	-2.014552
"88833"	1697.306924	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H"	-1.007276
"529485"	2546.464024	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H"	-1.007276
"908747"	848.149824	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H"	-1.007276
"59476"	1714.333471	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+NH4"	16.019271
"493570"	2563.490571	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+NH4"	16.019271
"870280"	865.176371	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+NH4"	16.019271
"39275"	1719.288866	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+Na"	20.974666
"476644"	2568.445966	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+Na"	20.974666
"858827"	870.131766	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+Na"	20.974666
"1627265"	870.131766	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na-2H"	20.974666
"104887"	866.138163	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H+Cl"	33.962126
"535212"	1290.716713	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H+Cl"	33.962126
"933591"	441.559613	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+Cl"	33.962126
"280411"	1733.283602	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Cl"	34.969402
"671131"	2582.440702	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Cl"	34.969402
"1283533"	884.126502	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl"	34.969402
"20624"	1735.262806	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+K"	36.948606
"464558"	2584.419906	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+K"	36.948606
"847708"	886.105706	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+K"	36.948606
"1569494"	886.105706	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K-2H"	36.948606
"954824"	894.155294	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+HCOOH"	44.998194
"369758"	1743.312401	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+HCOOH-H"	44.998201
"354735"	1757.328051	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Hac-H"	59.013851
"1507338"	908.170951	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Hac-H"	59.013851
"973708"	916.137251	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+NaCOOH"	66.980151
"121111"	884.126502	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Cl"	69.938804
"559576"	1308.705052	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Cl"	69.938804
"1032749"	459.547952	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Cl"	69.938804
"1251234"	928.075985	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Br"	78.918885
"1319403"	930.131972	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+HCOOH"	80.974872
"1334956"	952.113929	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+NaCOOH"	102.956829
"926969"	962.142686	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+CF3COOH"	112.985586
"1303829"	998.119364	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+CF3COOH"	148.962264
"1382554"	814.144424	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-2H2O"	-35.012676
"1396077"	832.1544	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-H2O"	-17.0027
"298438"	1699.321476	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H"	1.007276
"691104"	2548.478576	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H"	1.007276
"1366723"	850.164376	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H"	1.007276
"139971"	850.164376	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2H"	2.014552
"578801"	1274.742926	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2H"	2.014552
"1049790"	425.585826	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H"	2.014552
"208940"	567.112009333333	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H"	3.021828
"650688"	850.164376	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+3H"	3.021828
"1176106"	284.059642666667	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3H"	3.021828
"437681"	1716.348023	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+NH4"	18.033823
"800009"	2565.505123	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+NH4"	18.033823
"1695618"	867.190923	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4"	18.033823
"344628"	858.6776495	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+NH4"	19.041099
"736682"	1283.2561995	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+NH4"	19.041099
"1487220"	434.0990995	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+NH4"	19.041099
"406268"	1721.303418	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na"	22.989218
"765804"	2570.460518	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na"	22.989218
"1614994"	872.146318	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na"	22.989218
"326123"	861.155347	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+Na"	23.996494
"718911"	1285.733897	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+Na"	23.996494
"1473460"	436.576797	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+Na"	23.996494
"1063792"	291.386956666667	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H+Na"	25.00377
"1270209"	882.190586	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+CH3OH+H"	33.033486
"386963"	1737.277358	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+K"	38.963158
"747959"	2586.434458	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+K"	38.963158
"1548919"	888.120258	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K"	38.963158
"309373"	869.142317	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+K"	39.970434
"700704"	1293.720867	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+K"	39.970434
"1458899"	444.563767	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+K"	39.970434
"247500"	1740.348026	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+H"	42.033826
"1222397"	891.190926	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+H"	42.033826
"1199720"	446.099101	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+2H"	43.041102
"194778"	1743.28536	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na-H"	44.97116
"640900"	2592.44246	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na-H"	44.97116
"1143313"	894.12826	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na-H"	44.97116
"175672"	872.146318	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na"	45.978436
"614378"	1296.724868	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na"	45.978436
"1118002"	447.567768	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na"	45.978436
"1399707"	298.714270666667	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+2Na"	46.985712
"1432190"	896.169846	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+HCOOH"	47.012746
"223336"	877.17934	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H2O+2H"	56.04448
"1509449"	910.22189	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+H"	61.06479
"409626"	880.133288	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na+K"	61.952376
"770744"	1304.711838	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na+K"	61.952376
"1669141"	455.554738	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+K"	61.952376
"255665"	1762.329968	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+Na"	64.015768
"1232753"	913.172868	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+Na"	64.015768
"1726383"	913.196393	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+HCOOH"	64.039293
"1187000"	306.041584666667	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3Na"	68.967654
"1655798"	918.151788	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+HCOOH"	68.994688
"164846"	1775.23324	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K-H"	76.91904
"608780"	2624.39034	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K-H"	76.91904
"1090012"	926.07614	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K-H"	76.91904
"146830"	888.120258	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K"	77.926316
"587483"	1312.698808	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K"	77.926316
"1071996"	463.541708	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K"	77.926316
"1107391"	928.090692	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K+H"	78.933592
"1342682"	928.178307	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+DMSO+H"	79.021207
"1010117"	932.217476	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+H"	83.060376
"1526055"	933.211108	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+Na+H"	84.054008
"994690"	466.612376	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+2H"	84.067652
"1589559"	934.125728	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+HCOOH"	84.968628
"1416311"	964.157238	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+CF3COOH"	115.000138
"1150615"	487.125651	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3ACN+2H"	125.094202
"1701263"	981.183785	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+CF3COOH"	132.026685
"1641291"	986.13918	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+CF3COOH"	136.98208
"1579129"	1002.11312	"C03069"	"3-Methylcrotonyl-CoA;3-Methylbut-2-enoyl-CoA;3-Methylcrotonoyl-CoA;Dimethylacryloyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+CF3COOH"	152.95602
"812776"	374.2821	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M"	0
"979749"	355.26371	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-H2O-H"	-19.01839
"70185"	248.514124	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M-3H"	-3.021828
"506465"	373.274824	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M-3H"	-3.021828
"886454"	123.753424	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-3H"	-3.021828
"655"	373.274824	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M-2H"	-2.014552
"446776"	560.415874	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M-2H"	-2.014552
"826764"	186.133774	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-2H"	-2.014552
"82384"	747.556924	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M-H"	-1.007276
"527408"	1121.839024	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M-H"	-1.007276
"909584"	373.274824	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-H"	-1.007276
"56307"	764.583471	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M-2H+NH4"	16.019271
"494773"	1138.865571	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M-2H+NH4"	16.019271
"873670"	390.301371	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-2H+NH4"	16.019271
"39385"	769.538866	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M-2H+Na"	20.974666
"480037"	1143.820966	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M-2H+Na"	20.974666
"862216"	395.256766	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-2H+Na"	20.974666
"1630292"	395.256766	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Na-2H"	20.974666
"104998"	391.263163	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M-H+Cl"	33.962126
"543464"	578.404213	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M-H+Cl"	33.962126
"930421"	204.122113	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-H+Cl"	33.962126
"278820"	783.533602	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+Cl"	34.969402
"673427"	1157.815702	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+Cl"	34.969402
"1283644"	409.251502	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Cl"	34.969402
"27295"	785.512806	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M-2H+K"	36.948606
"464669"	1159.794906	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M-2H+K"	36.948606
"845751"	411.230706	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-2H+K"	36.948606
"1570903"	411.230706	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+K-2H"	36.948606
"957082"	419.280294	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-H+HCOOH"	44.998194
"367678"	793.562401	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+HCOOH-H"	44.998201
"352659"	807.578051	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+Hac-H"	59.013851
"1505866"	433.295951	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Hac-H"	59.013851
"972316"	441.262251	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-H+NaCOOH"	66.980151
"124501"	409.251502	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+2Cl"	69.938804
"559687"	596.392552	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+2Cl"	69.938804
"1025206"	222.110452	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2Cl"	69.938804
"1248063"	453.200985	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Br"	78.918885
"1318547"	455.256972	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Cl+HCOOH"	80.974872
"1335197"	477.238929	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Cl+NaCOOH"	102.956829
"926620"	487.267686	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M-H+CF3COOH"	112.985586
"1303852"	523.244364	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Cl+CF3COOH"	148.962264
"1382418"	339.269424	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H-2H2O"	-35.012676
"1395823"	357.2794	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H-H2O"	-17.0027
"298465"	749.571476	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+H"	1.007276
"689025"	1123.853576	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+H"	1.007276
"1366101"	375.289376	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H"	1.007276
"137893"	375.289376	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+2H"	2.014552
"577818"	562.430426	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+2H"	2.014552
"1048803"	188.148326	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2H"	2.014552
"213424"	250.528676	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+3H"	3.021828
"656996"	375.289376	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+3H"	3.021828
"1177556"	125.767976	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+3H"	3.021828
"437666"	766.598023	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+NH4"	18.033823
"800121"	1140.880123	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+NH4"	18.033823
"1696454"	392.315923	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+NH4"	18.033823
"342179"	383.8026495	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+H+NH4"	19.041099
"735699"	570.9436995	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+H+NH4"	19.041099
"1489519"	196.6615995	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H+NH4"	19.041099
"406012"	771.553418	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+Na"	22.989218
"767010"	1145.835518	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+Na"	22.989218
"1612918"	397.271318	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Na"	22.989218
"322956"	386.280347	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+H+Na"	23.996494
"717564"	573.421397	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+H+Na"	23.996494
"1476371"	199.139297	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H+Na"	23.996494
"1064631"	133.09529	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2H+Na"	25.00377
"1268861"	407.315586	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+CH3OH+H"	33.033486
"389261"	787.527358	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+K"	38.963158
"753417"	1161.809458	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+K"	38.963158
"1551216"	413.245258	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+K"	38.963158
"309486"	394.267317	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+H+K"	39.970434
"701909"	581.408367	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+H+K"	39.970434
"1455729"	207.126267	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H+K"	39.970434
"248706"	790.598026	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+ACN+H"	42.033826
"1217041"	416.315926	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+ACN+H"	42.033826
"1202018"	208.661601	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+ACN+2H"	43.041102
"201450"	793.53536	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+2Na-H"	44.97116
"634814"	1167.81746	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+2Na-H"	44.97116
"1140143"	419.25326	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2Na-H"	44.97116
"179062"	397.271318	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+2Na"	45.978436
"619714"	584.412368	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+2Na"	45.978436
"1123219"	210.130268	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2Na"	45.978436
"1403464"	140.422604	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H+2Na"	46.985712
"1437768"	421.294846	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H+HCOOH"	47.012746
"224175"	402.30434	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+3H2O+2H"	56.04448
"1510412"	435.34689	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+IsoProp+H"	61.06479
"410468"	405.258288	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+Na+K"	61.952376
"772556"	592.399338	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+Na+K"	61.952376
"1670349"	218.117238	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Na+K"	61.952376
"255777"	812.579968	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+ACN+Na"	64.015768
"1229580"	438.297868	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+ACN+Na"	64.015768
"1718469"	438.321393	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+NH4+HCOOH"	64.039293
"1184918"	147.749918	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+3Na"	68.967654
"1659190"	443.276788	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Na+HCOOH"	68.994688
"166050"	825.48324	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+2K-H"	76.91904
"606703"	1199.76534	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+2K-H"	76.91904
"1091216"	451.20114	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2K-H"	76.91904
"150220"	413.245258	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"2M+2K"	77.926316
"588686"	600.386308	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"3M+2K"	77.926316
"1074294"	226.104208	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2K"	77.926316
"1106410"	453.215692	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2K+H"	78.933592
"1343886"	453.303307	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+DMSO+H"	79.021207
"1011321"	457.342476	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2ACN+H"	83.060376
"1529448"	458.336108	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+IsoProp+Na+H"	84.054008
"995897"	229.174876	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+2ACN+2H"	84.067652
"1591494"	459.250728	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+K+HCOOH"	84.968628
"1416060"	489.282238	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+H+CF3COOH"	115.000138
"1154006"	249.688151	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+3ACN+2H"	125.094202
"1702466"	506.308785	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+NH4+CF3COOH"	132.026685
"1647962"	511.26418	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+Na+CF3COOH"	136.98208
"1579239"	527.23812	"C03070"	"3-Oxo-5beta-cholanate;3-Oxo-5beta-cholan-24-oate"	"C24H38O3"	"374.2821"	"M+K+CF3COOH"	152.95602
"812888"	119.0219	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M"	0
"989463"	100.00351	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H2O-H"	-19.01839
"74670"	78.3406573333333	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-3H"	-3.021828
"509857"	118.014624	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-3H"	-3.021828
"882191"	38.6666906666667	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-3H"	-3.021828
"2953"	118.014624	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H"	-2.014552
"449077"	177.525574	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H"	-2.014552
"826875"	58.503674	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H"	-2.014552
"85774"	237.036524	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-H"	-1.007276
"521325"	356.058424	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-H"	-1.007276
"904230"	118.014624	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H"	-1.007276
"56418"	254.063071	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H+NH4"	16.019271
"493791"	373.084971	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H+NH4"	16.019271
"874876"	135.041171	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H+NH4"	16.019271
"39496"	259.018466	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H+Na"	20.974666
"483430"	378.040366	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H+Na"	20.974666
"854673"	139.996566	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H+Na"	20.974666
"1631859"	139.996566	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na-2H"	20.974666
"105108"	136.002963	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-H+Cl"	33.962126
"541390"	195.513913	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-H+Cl"	33.962126
"938185"	76.492013	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+Cl"	33.962126
"278931"	273.013202	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Cl"	34.969402
"671350"	392.035102	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+Cl"	34.969402
"1284851"	153.991302	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl"	34.969402
"27406"	274.992406	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H+K"	36.948606
"465874"	394.014306	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H+K"	36.948606
"848300"	155.970506	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H+K"	36.948606
"1568624"	155.970506	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K-2H"	36.948606
"955775"	164.020094	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+HCOOH"	44.998194
"368884"	283.042001	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+HCOOH-H"	44.998201
"355686"	297.057651	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Hac-H"	59.013851
"1508378"	178.035751	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Hac-H"	59.013851
"972061"	186.002051	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+NaCOOH"	66.980151
"124613"	153.991302	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2Cl"	69.938804
"559798"	213.502252	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2Cl"	69.938804
"1025316"	94.480352	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2Cl"	69.938804
"1245988"	197.940785	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Br"	78.918885
"1319849"	199.996772	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl+HCOOH"	80.974872
"1335302"	221.978729	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl+NaCOOH"	102.956829
"926488"	232.007486	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+CF3COOH"	112.985586
"1304043"	267.984164	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl+CF3COOH"	148.962264
"1381717"	84.009224	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H-2H2O"	-35.012676
"1396298"	102.0192	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H-H2O"	-17.0027
"298170"	239.051076	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H"	1.007276
"690592"	358.072976	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H"	1.007276
"1364756"	120.029176	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H"	1.007276
"138370"	120.029176	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2H"	2.014552
"578660"	179.540126	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2H"	2.014552
"1048549"	60.518226	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2H"	2.014552
"217911"	80.3552093333333	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+3H"	3.021828
"657473"	120.029176	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+3H"	3.021828
"1175963"	40.6812426666667	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+3H"	3.021828
"435958"	256.077623	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+NH4"	18.033823
"796586"	375.099523	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+NH4"	18.033823
"1694743"	137.055723	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+NH4"	18.033823
"341197"	128.5424495	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H+NH4"	19.041099
"736175"	188.0533995	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H+NH4"	19.041099
"1491453"	69.0314995	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+NH4"	19.041099
"407215"	261.033018	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Na"	22.989218
"767119"	380.054918	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+Na"	22.989218
"1614121"	142.011118	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na"	22.989218
"323066"	131.020147	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H+Na"	23.996494
"716581"	190.531097	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H+Na"	23.996494
"1467119"	71.509197	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+Na"	23.996494
"1060365"	48.0085566666667	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2H+Na"	25.00377
"1266418"	152.055386	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+CH3OH+H"	33.033486
"387185"	277.006958	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+K"	38.963158
"750368"	396.028858	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+K"	38.963158
"1550232"	157.985058	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K"	38.963158
"309593"	139.007117	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H+K"	39.970434
"702016"	198.518067	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H+K"	39.970434
"1456930"	79.496167	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+K"	39.970434
"249907"	280.077626	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+ACN+H"	42.033826
"1221523"	161.055726	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+ACN+H"	42.033826
"1203222"	81.031501	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+ACN+2H"	43.041102
"196094"	283.01496	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2Na-H"	44.97116
"638935"	402.03686	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2Na-H"	44.97116
"1145234"	163.99306	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2Na-H"	44.97116
"186824"	142.011118	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2Na"	45.978436
"615451"	201.522068	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2Na"	45.978436
"1122234"	82.500168	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2Na"	45.978436
"1399925"	55.3358706666667	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+2Na"	46.985712
"1431070"	166.034646	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+HCOOH"	47.012746
"224650"	147.04414	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+3H2O+2H"	56.04448
"1509063"	180.08669	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+IsoProp+H"	61.06479
"409483"	149.998088	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Na+K"	61.952376
"772667"	209.509038	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+Na+K"	61.952376
"1667907"	90.487138	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na+K"	61.952376
"255887"	302.059568	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+ACN+Na"	64.015768
"1230783"	183.037668	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+ACN+Na"	64.015768
"1719672"	183.061193	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+NH4+HCOOH"	64.039293
"1186122"	62.6631846666667	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+3Na"	68.967654
"1660396"	188.016588	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na+HCOOH"	68.994688
"169442"	314.96284	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2K-H"	76.91904
"612407"	433.98474	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2K-H"	76.91904
"1092420"	195.94094	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2K-H"	76.91904
"151424"	157.985058	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2K"	77.926316
"588798"	217.496008	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2K"	77.926316
"1074404"	98.474108	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2K"	77.926316
"1103239"	197.955492	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2K+H"	78.933592
"1342904"	198.043107	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+DMSO+H"	79.021207
"1012525"	202.082276	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2ACN+H"	83.060376
"1528464"	203.075908	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+IsoProp+Na+H"	84.054008
"993820"	101.544776	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2ACN+2H"	84.067652
"1591604"	203.990528	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K+HCOOH"	84.968628
"1416170"	234.022038	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+CF3COOH"	115.000138
"1153023"	122.058051	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+3ACN+2H"	125.094202
"1700389"	251.048585	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+NH4+CF3COOH"	132.026685
"1646979"	256.00398	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na+CF3COOH"	136.98208
"1579349"	271.97792	"C03071"	"3-aci-Nitropropanoate;3-aci-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K+CF3COOH"	152.95602
"811903"	276.2453	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M"	0
"977782"	257.22691	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H2O-H"	-19.01839
"75506"	183.156257333333	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-3H"	-3.021828
"507780"	275.238024	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-3H"	-3.021828
"883395"	91.0744906666666	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-3H"	-3.021828
"386"	275.238024	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H"	-2.014552
"443717"	413.360674	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H"	-2.014552
"823707"	137.115374	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H"	-2.014552
"85885"	551.483324	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-H"	-1.007276
"518677"	827.728624	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-H"	-1.007276
"904341"	275.238024	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H"	-1.007276
"53249"	568.509871	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+NH4"	16.019271
"488434"	844.755171	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+NH4"	16.019271
"874986"	292.264571	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+NH4"	16.019271
"39606"	573.465266	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+Na"	20.974666
"483540"	849.710566	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+Na"	20.974666
"860250"	297.219966	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+Na"	20.974666
"1631970"	297.219966	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na-2H"	20.974666
"109108"	293.226363	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-H+Cl"	33.962126
"544781"	431.349013	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-H+Cl"	33.962126
"935015"	155.103713	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+Cl"	33.962126
"277948"	587.460002	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Cl"	34.969402
"669274"	863.705302	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Cl"	34.969402
"1280588"	311.214702	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl"	34.969402
"27516"	589.439206	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M-2H+K"	36.948606
"468170"	865.684506	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M-2H+K"	36.948606
"843788"	313.193906	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-2H+K"	36.948606
"1568734"	313.193906	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K-2H"	36.948606
"954059"	321.243494	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+HCOOH"	44.998194
"373005"	597.488801	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+HCOOH-H"	44.998201
"359687"	611.504451	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Hac-H"	59.013851
"1504264"	335.259151	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Hac-H"	59.013851
"969619"	343.225451	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+NaCOOH"	66.980151
"125579"	311.214702	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Cl"	69.938804
"559908"	449.337352	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Cl"	69.938804
"1025426"	173.092052	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Cl"	69.938804
"1245004"	355.164185	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Br"	78.918885
"1319580"	357.220172	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+HCOOH"	80.974872
"1335540"	379.202129	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+NaCOOH"	102.956829
"926963"	389.230886	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M-H+CF3COOH"	112.985586
"1304130"	425.207564	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Cl+CF3COOH"	148.962264
"1381827"	241.232624	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H-2H2O"	-35.012676
"1397866"	259.2426	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H-H2O"	-17.0027
"297915"	553.497876	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H"	1.007276
"690701"	829.743176	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H"	1.007276
"1365231"	277.252576	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H"	1.007276
"138843"	277.252576	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2H"	2.014552
"578041"	415.375226	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2H"	2.014552
"1051211"	139.129926	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2H"	2.014552
"216926"	185.170809333333	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+3H"	3.021828
"657947"	277.252576	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+3H"	3.021828
"1176073"	93.0890426666667	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3H"	3.021828
"437889"	570.524423	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+NH4"	18.033823
"797791"	846.769723	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+NH4"	18.033823
"1695582"	294.279123	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4"	18.033823
"343494"	285.7658495	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+NH4"	19.041099
"735552"	423.8884995	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+NH4"	19.041099
"1488646"	147.6431995	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+NH4"	19.041099
"406231"	575.479818	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Na"	22.989218
"766134"	851.725118	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Na"	22.989218
"1614231"	299.234518	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na"	22.989218
"326089"	288.243547	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+Na"	23.996494
"714502"	426.366197	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+Na"	23.996494
"1467229"	150.120897	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+Na"	23.996494
"1059383"	100.416356666667	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2H+Na"	25.00377
"1265434"	309.278786	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+CH3OH+H"	33.033486
"387295"	591.453758	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+K"	38.963158
"752665"	867.699058	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+K"	38.963158
"1549249"	315.208458	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K"	38.963158
"307518"	296.230517	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+H+K"	39.970434
"698846"	434.353167	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+H+K"	39.970434
"1453761"	158.107867	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+K"	39.970434
"245645"	594.524426	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+ACN+H"	42.033826
"1217258"	318.279126	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+H"	42.033826
"1205521"	159.643201	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+2H"	43.041102
"195111"	597.46176	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Na-H"	44.97116
"640138"	873.70706	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Na-H"	44.97116
"1142548"	321.21646	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Na-H"	44.97116
"183651"	299.234518	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2Na"	45.978436
"622118"	437.357168	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2Na"	45.978436
"1120158"	161.111868	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2Na"	45.978436
"1405868"	107.743670666667	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+2Na"	46.985712
"1435796"	323.258046	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+HCOOH"	47.012746
"222574"	304.26754	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+3H2O+2H"	56.04448
"1508808"	337.31009	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+IsoProp+H"	61.06479
"408937"	307.221488	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+Na+K"	61.952376
"770588"	445.344138	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+Na+K"	61.952376
"1668383"	169.098838	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+K"	61.952376
"257091"	616.506368	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+ACN+Na"	64.015768
"1227612"	340.261068	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+ACN+Na"	64.015768
"1718689"	340.284593	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4+HCOOH"	64.039293
"1188419"	115.070984666667	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3Na"	68.967654
"1657226"	345.239988	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+HCOOH"	68.994688
"169552"	629.40964	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2K-H"	76.91904
"612028"	905.65494	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2K-H"	76.91904
"1095811"	353.16434	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K-H"	76.91904
"153721"	315.208458	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"2M+2K"	77.926316
"590001"	453.331108	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"3M+2K"	77.926316
"1078888"	177.085808	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K"	77.926316
"1108816"	355.178892	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2K+H"	78.933592
"1339733"	355.266507	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+DMSO+H"	79.021207
"1010448"	359.305676	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2ACN+H"	83.060376
"1526386"	360.299308	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+IsoProp+Na+H"	84.054008
"996117"	180.156476	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+2ACN+2H"	84.067652
"1593901"	361.213928	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K+HCOOH"	84.968628
"1416280"	391.245438	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+H+CF3COOH"	115.000138
"1153133"	200.669751	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+3ACN+2H"	125.094202
"1700500"	408.271985	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+NH4+CF3COOH"	132.026685
"1643809"	413.22738	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+Na+CF3COOH"	136.98208
"1579459"	429.20132	"C03072"	"3alpha-Hydroxysteroid"	"C19H32O"	"276.2453"	"M+K+CF3COOH"	152.95602
"813836"	252.0786	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M"	0
"977892"	233.06021	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-H2O-H"	-19.01839
"72702"	167.045124	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M-3H"	-3.021828
"505703"	251.071324	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M-3H"	-3.021828
"887880"	83.018924	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-3H"	-3.021828
"38"	251.071324	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M-2H"	-2.014552
"448202"	377.110624	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M-2H"	-2.014552
"823817"	125.032024	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-2H"	-2.014552
"85995"	503.149924	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M-H"	-1.007276
"518991"	755.228524	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M-H"	-1.007276
"904451"	251.071324	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-H"	-1.007276
"54452"	520.176471	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M-2H+NH4"	16.019271
"488544"	772.255071	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M-2H+NH4"	16.019271
"875096"	268.097871	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-2H+NH4"	16.019271
"39716"	525.131866	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M-2H+Na"	20.974666
"484744"	777.210466	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M-2H+Na"	20.974666
"857080"	273.053266	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-2H+Na"	20.974666
"1632811"	273.053266	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Na-2H"	20.974666
"108246"	269.059663	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M-H+Cl"	33.962126
"538330"	395.098963	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M-H+Cl"	33.962126
"935125"	143.020363	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-H+Cl"	33.962126
"278058"	539.126602	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+Cl"	34.969402
"665010"	791.205202	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+Cl"	34.969402
"1283978"	287.048002	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Cl"	34.969402
"24346"	541.105806	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M-2H+K"	36.948606
"466093"	793.184406	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M-2H+K"	36.948606
"846449"	289.027206	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-2H+K"	36.948606
"1565197"	289.027206	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+K-2H"	36.948606
"951982"	297.076794	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-H+HCOOH"	44.998194
"369104"	549.155401	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+HCOOH-H"	44.998201
"356636"	563.171051	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+Hac-H"	59.013851
"1502916"	311.092451	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Hac-H"	59.013851
"969000"	319.058751	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-H+NaCOOH"	66.980151
"124834"	287.048002	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+2Cl"	69.938804
"558925"	413.087302	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+2Cl"	69.938804
"1025536"	161.008702	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2Cl"	69.938804
"1245114"	330.997485	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Br"	78.918885
"1319366"	333.053472	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Cl+HCOOH"	80.974872
"1335243"	355.035429	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Cl+NaCOOH"	102.956829
"926463"	365.064186	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M-H+CF3COOH"	112.985586
"1303777"	401.040864	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Cl+CF3COOH"	148.962264
"1382062"	217.065924	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H-2H2O"	-35.012676
"1397733"	235.0759	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H-H2O"	-17.0027
"298029"	505.164476	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+H"	1.007276
"690447"	757.243076	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+H"	1.007276
"1364975"	253.085876	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H"	1.007276
"139564"	253.085876	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+2H"	2.014552
"579974"	379.125176	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+2H"	2.014552
"1051321"	127.046576	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2H"	2.014552
"217036"	169.059676	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+3H"	3.021828
"654410"	253.085876	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+3H"	3.021828
"1175818"	85.033476	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+3H"	3.021828
"434716"	522.191023	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+NH4"	18.033823
"797899"	774.269623	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+NH4"	18.033823
"1693503"	270.112423	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+NH4"	18.033823
"341415"	261.5991495	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+H+NH4"	19.041099
"735662"	387.6384495	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+H+NH4"	19.041099
"1485475"	135.5598495	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H+NH4"	19.041099
"401965"	527.146418	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+Na"	22.989218
"762961"	779.225018	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+Na"	22.989218
"1612154"	275.067818	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Na"	22.989218
"324377"	264.076847	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+H+Na"	23.996494
"712426"	390.116147	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+H+Na"	23.996494
"1465517"	138.037547	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H+Na"	23.996494
"1059493"	92.36079	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2H+Na"	25.00377
"1264451"	285.112086	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+CH3OH+H"	33.033486
"386307"	543.120358	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+K"	38.963158
"750588"	795.198958	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+K"	38.963158
"1548265"	291.041758	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+K"	38.963158
"309816"	272.063817	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+H+K"	39.970434
"696769"	398.103117	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+H+K"	39.970434
"1452777"	146.024517	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H+K"	39.970434
"245755"	546.191026	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+ACN+H"	42.033826
"1217368"	294.112426	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+ACN+H"	42.033826
"1204537"	147.559851	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+ACN+2H"	43.041102
"195221"	549.12836	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+2Na-H"	44.97116
"639154"	801.20696	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+2Na-H"	44.97116
"1141565"	297.04976	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2Na-H"	44.97116
"180481"	275.067818	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+2Na"	45.978436
"618948"	401.107118	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+2Na"	45.978436
"1120268"	149.028518	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2Na"	45.978436
"1405978"	99.688104	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H+2Na"	46.985712
"1435906"	299.091346	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H+HCOOH"	47.012746
"222684"	280.10084	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+3H2O+2H"	56.04448
"1509038"	313.14339	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+IsoProp+H"	61.06479
"409330"	283.054788	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+Na+K"	61.952376
"770328"	409.094088	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+Na+K"	61.952376
"1666420"	157.015488	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Na+K"	61.952376
"255014"	568.172968	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+ACN+Na"	64.015768
"1227358"	316.094368	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+ACN+Na"	64.015768
"1719892"	316.117893	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+NH4+HCOOH"	64.039293
"1188529"	107.015418	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+3Na"	68.967654
"1658426"	321.073288	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Na+HCOOH"	68.994688
"167475"	581.07624	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+2K-H"	76.91904
"611408"	833.15484	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+2K-H"	76.91904
"1093734"	328.99764	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2K-H"	76.91904
"151644"	291.041758	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"2M+2K"	77.926316
"591204"	417.081058	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"3M+2K"	77.926316
"1075717"	165.002458	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2K"	77.926316
"1104552"	331.012192	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2K+H"	78.933592
"1340936"	331.099807	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+DMSO+H"	79.021207
"1009465"	335.138976	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2ACN+H"	83.060376
"1525280"	336.132608	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+IsoProp+Na+H"	84.054008
"998414"	168.073126	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+2ACN+2H"	84.067652
"1592918"	337.047228	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+K+HCOOH"	84.968628
"1415660"	367.078738	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+H+CF3COOH"	115.000138
"1152150"	188.586401	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+3ACN+2H"	125.094202
"1700610"	384.105285	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+NH4+CF3COOH"	132.026685
"1647199"	389.06068	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+Na+CF3COOH"	136.98208
"1579569"	405.03462	"C03074"	"4-O-Methylisoflavone"	"C16H12O3"	"252.0786"	"M+K+CF3COOH"	152.95602
"814310"	213.9629	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M"	0
"975570"	194.94451	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-H2O-H"	-19.01839
"73905"	141.634657333333	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M-3H"	-3.021828
"505813"	212.955624	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M-3H"	-3.021828
"885804"	70.3136906666667	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-3H"	-3.021828
"2190"	212.955624	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M-2H"	-2.014552
"449406"	319.937074	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M-2H"	-2.014552
"827207"	105.974174	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-2H"	-2.014552
"89385"	426.918524	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M-H"	-1.007276
"521291"	640.881424	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M-H"	-1.007276
"905655"	212.955624	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-H"	-1.007276
"54562"	443.945071	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M-2H+NH4"	16.019271
"490841"	657.907971	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M-2H+NH4"	16.019271
"874113"	229.982171	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-2H+NH4"	16.019271
"39826"	448.900466	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M-2H+Na"	20.974666
"483761"	662.863366	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M-2H+Na"	20.974666
"858284"	234.937566	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-2H+Na"	20.974666
"1631463"	234.937566	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Na-2H"	20.974666
"109328"	230.943963	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M-H+Cl"	33.962126
"538440"	337.925413	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M-H+Cl"	33.962126
"935235"	123.962513	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-H+Cl"	33.962126
"278167"	462.895202	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+Cl"	34.969402
"665120"	676.858102	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+Cl"	34.969402
"1284088"	248.932302	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Cl"	34.969402
"24456"	464.874406	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M-2H+K"	36.948606
"468390"	678.837306	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M-2H+K"	36.948606
"846927"	250.911506	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-2H+K"	36.948606
"1565307"	250.911506	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+K-2H"	36.948606
"950999"	258.961094	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-H+HCOOH"	44.998194
"367027"	472.924001	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+HCOOH-H"	44.998201
"360272"	486.939651	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+Hac-H"	59.013851
"1503025"	272.976751	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Hac-H"	59.013851
"970567"	280.943051	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-H+NaCOOH"	66.980151
"124460"	248.932302	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+2Cl"	69.938804
"562315"	355.913752	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+2Cl"	69.938804
"1025646"	141.950852	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2Cl"	69.938804
"1246318"	292.881785	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Br"	78.918885
"1319355"	294.937772	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Cl+HCOOH"	80.974872
"1335028"	316.919729	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Cl+NaCOOH"	102.956829
"927017"	326.948486	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M-H+CF3COOH"	112.985586
"1303890"	362.925164	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Cl+CF3COOH"	148.962264
"1382496"	178.950224	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H-2H2O"	-35.012676
"1397480"	196.9602	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H-H2O"	-17.0027
"296799"	428.933076	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+H"	1.007276
"691167"	642.895976	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+H"	1.007276
"1364357"	214.970176	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H"	1.007276
"141213"	214.970176	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+2H"	2.014552
"580451"	321.951626	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+2H"	2.014552
"1051680"	107.988726	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2H"	2.014552
"217149"	143.649209333333	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+3H"	3.021828
"657802"	214.970176	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+3H"	3.021828
"1177391"	72.3282426666667	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+3H"	3.021828
"437014"	445.959623	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+NH4"	18.033823
"799103"	659.922523	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+NH4"	18.033823
"1694345"	231.996723	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+NH4"	18.033823
"341525"	223.4834495	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+H+NH4"	19.041099
"735771"	330.4648995	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+H+NH4"	19.041099
"1487772"	116.5019995	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H+NH4"	19.041099
"398795"	450.915018	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+Na"	22.989218
"764164"	664.877918	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+Na"	22.989218
"1611169"	236.952118	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Na"	22.989218
"316832"	225.961147	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+H+Na"	23.996494
"714722"	332.942597	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+H+Na"	23.996494
"1465263"	118.979697	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H+Na"	23.996494
"1059601"	79.6555566666667	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2H+Na"	25.00377
"1263468"	246.996386	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+CH3OH+H"	33.033486
"386417"	466.888958	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+K"	38.963158
"751430"	680.851858	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+K"	38.963158
"1549471"	252.926058	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+K"	38.963158
"309928"	233.948117	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+H+K"	39.970434
"700162"	340.929567	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+H+K"	39.970434
"1457992"	126.966667	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H+K"	39.970434
"249754"	469.959626	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+ACN+H"	42.033826
"1220760"	255.996726	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+ACN+H"	42.033826
"1205740"	128.502001	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+ACN+2H"	43.041102
"200069"	472.89696	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+2Na-H"	44.97116
"639264"	686.85986	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+2Na-H"	44.97116
"1140582"	258.93406	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2Na-H"	44.97116
"181685"	236.952118	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+2Na"	45.978436
"621245"	343.933568	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+2Na"	45.978436
"1122568"	129.970668	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2Na"	45.978436
"1407183"	86.9828706666667	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H+2Na"	46.985712
"1437111"	260.975646	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H+HCOOH"	47.012746
"221701"	241.98514	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+3H2O+2H"	56.04448
"1510851"	275.02769	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+IsoProp+H"	61.06479
"409808"	244.939088	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+Na+K"	61.952376
"772999"	351.920538	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+Na+K"	61.952376
"1669694"	137.957638	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Na+K"	61.952376
"258405"	491.941568	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+ACN+Na"	64.015768
"1228560"	277.978668	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+ACN+Na"	64.015768
"1718909"	278.002193	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+NH4+HCOOH"	64.039293
"1189733"	94.3101846666667	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+3Na"	68.967654
"1664974"	282.957588	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Na+HCOOH"	68.994688
"169772"	504.84484	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+2K-H"	76.91904
"609331"	718.80774	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+2K-H"	76.91904
"1093843"	290.88194	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2K-H"	76.91904
"149566"	252.926058	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"2M+2K"	77.926316
"595567"	359.907508	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"3M+2K"	77.926316
"1075827"	145.944608	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2K"	77.926316
"1110130"	292.896492	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2K+H"	78.933592
"1343234"	292.984107	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+DMSO+H"	79.021207
"1009575"	297.023276	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2ACN+H"	83.060376
"1525879"	298.016908	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+IsoProp+Na+H"	84.054008
"995244"	149.015276	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+2ACN+2H"	84.067652
"1596309"	298.931528	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+K+HCOOH"	84.968628
"1421969"	328.963038	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+H+CF3COOH"	115.000138
"1148976"	169.528551	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+3ACN+2H"	125.094202
"1699626"	345.989585	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+NH4+CF3COOH"	132.026685
"1647309"	350.94498	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+Na+CF3COOH"	136.98208
"1579679"	366.91892	"C03076"	"4-Bromophenylacetate;4-Bromophenylacetic acid"	"C8H7BrO2"	"213.9629"	"M+K+CF3COOH"	152.95602
"815513"	170.0135	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M"	0
"978111"	150.99511	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-H2O-H"	-19.01839
"75108"	112.335057333333	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M-3H"	-3.021828
"506287"	169.006224	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M-3H"	-3.021828
"887007"	55.6638906666667	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-3H"	-3.021828
"3393"	169.006224	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M-2H"	-2.014552
"446236"	254.012974	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M-2H"	-2.014552
"821850"	83.999474	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-2H"	-2.014552
"82935"	339.019724	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M-H"	-1.007276
"525776"	509.033224	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M-H"	-1.007276
"905765"	169.006224	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-H"	-1.007276
"54673"	356.046271	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M-2H+NH4"	16.019271
"490951"	526.059771	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M-2H+NH4"	16.019271
"869848"	186.032771	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-2H+NH4"	16.019271
"36655"	361.001666	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M-2H+Na"	20.974666
"484964"	531.015166	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M-2H+Na"	20.974666
"859486"	190.988166	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-2H+Na"	20.974666
"1632302"	190.988166	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Na-2H"	20.974666
"108831"	186.994563	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M-H+Cl"	33.962126
"538550"	272.001313	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M-H+Cl"	33.962126
"932065"	101.987813	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-H+Cl"	33.962126
"278278"	374.996402	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+Cl"	34.969402
"670698"	545.009902	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+Cl"	34.969402
"1284927"	204.982902	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Cl"	34.969402
"30276"	376.975606	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M-2H+K"	36.948606
"468865"	546.989106	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M-2H+K"	36.948606
"845940"	206.962106	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-2H+K"	36.948606
"1568697"	206.962106	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+K-2H"	36.948606
"956577"	215.011694	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-H+HCOOH"	44.998194
"371512"	385.025201	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+HCOOH-H"	44.998201
"359770"	399.040851	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+Hac-H"	59.013851
"1504228"	229.027351	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Hac-H"	59.013851
"970677"	236.993651	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-H+NaCOOH"	66.980151
"123963"	204.982902	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+2Cl"	69.938804
"562425"	289.989652	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+2Cl"	69.938804
"1030130"	119.976152	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2Cl"	69.938804
"1245333"	248.932385	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Br"	78.918885
"1319586"	250.988372	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Cl+HCOOH"	80.974872
"1334651"	272.970329	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Cl+NaCOOH"	102.956829
"926314"	282.999086	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M-H+CF3COOH"	112.985586
"1303518"	318.975764	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Cl+CF3COOH"	148.962264
"1381792"	135.000824	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H-2H2O"	-35.012676
"1397955"	153.0108	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H-H2O"	-17.0027
"297516"	341.034276	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+H"	1.007276
"690669"	511.047776	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+H"	1.007276
"1365925"	171.020776	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H"	1.007276
"140271"	171.020776	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+2H"	2.014552
"580560"	256.027526	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+2H"	2.014552
"1051546"	86.014026	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2H"	2.014552
"217623"	114.349609333333	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+3H"	3.021828
"657548"	171.020776	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+3H"	3.021828
"1175921"	57.6784426666667	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+3H"	3.021828
"437125"	358.060823	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+NH4"	18.033823
"797026"	528.074323	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+NH4"	18.033823
"1693726"	188.047323	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+NH4"	18.033823
"339448"	179.5340495	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+H+NH4"	19.041099
"734788"	264.5407995	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+H+NH4"	19.041099
"1484599"	94.5272995	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H+NH4"	19.041099
"398905"	363.016218	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+Na"	22.989218
"764274"	533.029718	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+Na"	22.989218
"1609092"	193.002718	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Na"	22.989218
"316942"	182.011747	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+H+Na"	23.996494
"710457"	267.018497	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+H+Na"	23.996494
"1467559"	97.004997	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H+Na"	23.996494
"1061897"	65.0057566666667	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2H+Na"	25.00377
"1263577"	203.046986	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+CH3OH+H"	33.033486
"384341"	378.990158	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+K"	38.963158
"748622"	549.003658	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+K"	38.963158
"1549581"	208.976658	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+K"	38.963158
"305663"	189.998717	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+H+K"	39.970434
"695166"	275.005467	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+H+K"	39.970434
"1451904"	104.991967	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H+K"	39.970434
"249256"	382.060826	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+ACN+H"	42.033826
"1223057"	212.047326	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+ACN+H"	42.033826
"1208767"	106.527301	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+ACN+2H"	43.041102
"199814"	384.99816	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+2Na-H"	44.97116
"638280"	555.01166	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+2Na-H"	44.97116
"1140694"	214.98466	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2Na-H"	44.97116
"181794"	193.002718	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+2Na"	45.978436
"622448"	278.009468	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+2Na"	45.978436
"1124866"	107.995968	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2Na"	45.978436
"1406201"	72.3330706666667	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H+2Na"	46.985712
"1438315"	217.026246	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H+HCOOH"	47.012746
"221084"	198.03574	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+3H2O+2H"	56.04448
"1509872"	231.07829	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+IsoProp+H"	61.06479
"410283"	200.989688	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+Na+K"	61.952376
"772014"	285.996438	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+Na+K"	61.952376
"1669804"	115.982938	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Na+K"	61.952376
"258513"	404.042768	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+ACN+Na"	64.015768
"1228306"	234.029268	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+ACN+Na"	64.015768
"1716832"	234.052793	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+NH4+HCOOH"	64.039293
"1184373"	79.6603846666667	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+3Na"	68.967654
"1664113"	239.008188	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Na+HCOOH"	68.994688
"169882"	416.94604	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+2K-H"	76.91904
"611264"	586.95954	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+2K-H"	76.91904
"1092859"	246.93254	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2K-H"	76.91904
"148583"	208.976658	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"2M+2K"	77.926316
"595677"	293.983408	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"3M+2K"	77.926316
"1078123"	123.969908	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2K"	77.926316
"1109147"	248.947092	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2K+H"	78.933592
"1341157"	249.034707	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+DMSO+H"	79.021207
"1008956"	253.073876	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2ACN+H"	83.060376
"1534373"	254.067508	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+IsoProp+Na+H"	84.054008
"997540"	127.040576	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+2ACN+2H"	84.067652
"1593137"	254.982128	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+K+HCOOH"	84.968628
"1422079"	285.013638	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+H+CF3COOH"	115.000138
"1150179"	147.553851	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+3ACN+2H"	125.094202
"1700829"	302.040185	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+NH4+CF3COOH"	132.026685
"1644139"	306.99558	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+Na+CF3COOH"	136.98208
"1579789"	322.96952	"C03077"	"4-Chlorophenylacetate;4-Chlorophenylacetic acid"	"C8H7ClO2"	"170.0135"	"M+K+CF3COOH"	152.95602
"813437"	144.1011	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M"	0
"978222"	125.08271	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-H2O-H"	-19.01839
"75218"	95.060124	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M-3H"	-3.021828
"504211"	143.093824	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M-3H"	-3.021828
"883834"	47.026424	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-3H"	-3.021828
"344"	143.093824	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M-2H"	-2.014552
"443430"	215.144374	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M-2H"	-2.014552
"818315"	71.043274	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-2H"	-2.014552
"83045"	287.194924	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M-H"	-1.007276
"523699"	431.296024	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M-H"	-1.007276
"904781"	143.093824	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-H"	-1.007276
"53690"	304.221471	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M-2H+NH4"	16.019271
"491061"	448.322571	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M-2H+NH4"	16.019271
"869958"	160.120371	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-2H+NH4"	16.019271
"36765"	309.176866	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M-2H+Na"	20.974666
"479607"	453.277966	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M-2H+Na"	20.974666
"861419"	165.075766	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-2H+Na"	20.974666
"1632409"	165.075766	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Na-2H"	20.974666
"107845"	161.082163	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M-H+Cl"	33.962126
"539753"	233.132713	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M-H+Cl"	33.962126
"931081"	89.031613	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-H+Cl"	33.962126
"272920"	323.171602	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+Cl"	34.969402
"662060"	467.272702	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+Cl"	34.969402
"1285037"	179.070502	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Cl"	34.969402
"22487"	325.150806	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M-2H+K"	36.948606
"459862"	469.251906	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M-2H+K"	36.948606
"840945"	181.049706	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-2H+K"	36.948606
"1564433"	181.049706	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+K-2H"	36.948606
"947938"	189.099294	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-H+HCOOH"	44.998194
"362507"	333.200401	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+HCOOH-H"	44.998201
"350038"	347.216051	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+Hac-H"	59.013851
"1499964"	203.114951	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Hac-H"	59.013851
"969692"	211.081251	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-H+NaCOOH"	66.980151
"123703"	179.070502	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+2Cl"	69.938804
"559253"	251.121052	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+2Cl"	69.938804
"1030239"	107.019952	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2Cl"	69.938804
"1245443"	223.019985	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Br"	78.918885
"1319657"	225.075972	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Cl+HCOOH"	80.974872
"1334881"	247.057929	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Cl+NaCOOH"	102.956829
"925572"	257.086686	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M-H+CF3COOH"	112.985586
"1303743"	293.063364	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Cl+CF3COOH"	148.962264
"1382513"	109.088424	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H-2H2O"	-35.012676
"1398027"	127.0984	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H-H2O"	-17.0027
"296776"	289.209476	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+H"	1.007276
"690413"	433.310576	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+H"	1.007276
"1366643"	145.108376	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H"	1.007276
"139895"	145.108376	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+2H"	2.014552
"580185"	217.158926	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+2H"	2.014552
"1052266"	73.057826	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2H"	2.014552
"218462"	97.074676	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+3H"	3.021828
"658751"	145.108376	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+3H"	3.021828
"1176516"	49.040976	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+3H"	3.021828
"437235"	306.236023	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+NH4"	18.033823
"797136"	450.337123	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+NH4"	18.033823
"1693107"	162.134923	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+NH4"	18.033823
"338465"	153.6216495	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+H+NH4"	19.041099
"734898"	225.6721995	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+H+NH4"	19.041099
"1487625"	81.5710995	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H+NH4"	19.041099
"402295"	311.191418	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+Na"	22.989218
"764384"	455.292518	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+Na"	22.989218
"1611389"	167.090318	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Na"	22.989218
"317052"	156.099347	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+H+Na"	23.996494
"710567"	228.149897	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+H+Na"	23.996494
"1464389"	84.048797	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H+Na"	23.996494
"1062008"	56.36829	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2H+Na"	25.00377
"1261499"	177.134586	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+CH3OH+H"	33.033486
"387733"	327.165358	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+K"	38.963158
"745452"	471.266458	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+K"	38.963158
"1547502"	183.064258	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+K"	38.963158
"304680"	164.086317	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+H+K"	39.970434
"695640"	236.136867	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+H+K"	39.970434
"1453108"	92.035767	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H+K"	39.970434
"244993"	330.236026	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+ACN+H"	42.033826
"1220981"	186.134926	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+ACN+H"	42.033826
"1201586"	93.571101	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+ACN+2H"	43.041102
"196645"	333.17336	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+2Na-H"	44.97116
"636203"	477.27446	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+2Na-H"	44.97116
"1138617"	189.07226	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2Na-H"	44.97116
"179718"	167.090318	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+2Na"	45.978436
"620372"	239.140868	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+2Na"	45.978436
"1124975"	95.039768	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2Na"	45.978436
"1407406"	63.695604	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H+2Na"	46.985712
"1435146"	191.113846	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H+HCOOH"	47.012746
"227026"	172.12334	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+3H2O+2H"	56.04448
"1509985"	205.16589	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+IsoProp+H"	61.06479
"410394"	175.077288	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+Na+K"	61.952376
"771762"	247.127838	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+Na+K"	61.952376
"1669551"	103.026738	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Na+K"	61.952376
"259718"	352.217968	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+ACN+Na"	64.015768
"1230239"	208.116868	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+ACN+Na"	64.015768
"1715483"	208.140393	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+NH4+HCOOH"	64.039293
"1182295"	71.022918	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+3Na"	68.967654
"1664223"	213.095788	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Na+HCOOH"	68.994688
"169989"	365.12124	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+2K-H"	76.91904
"606270"	509.22234	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+2K-H"	76.91904
"1094062"	221.02014	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2K-H"	76.91904
"154159"	183.064258	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"2M+2K"	77.926316
"590440"	255.114808	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"3M+2K"	77.926316
"1074953"	111.013708	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2K"	77.926316
"1108164"	223.034692	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2K+H"	78.933592
"1342360"	223.122307	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+DMSO+H"	79.021207
"1011981"	227.161476	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2ACN+H"	83.060376
"1531203"	228.155108	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+IsoProp+Na+H"	84.054008
"1000931"	114.084376	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+2ACN+2H"	84.067652
"1591059"	229.069728	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+K+HCOOH"	84.968628
"1422189"	259.101238	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+H+CF3COOH"	115.000138
"1149196"	134.597651	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+3ACN+2H"	125.094202
"1699481"	276.127785	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+NH4+CF3COOH"	132.026685
"1644249"	281.08318	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+Na+CF3COOH"	136.98208
"1579899"	297.05712	"C03078"	"4-Guanidinobutanamide"	"C5H12N4O"	"144.1011"	"M+K+CF3COOH"	152.95602
"811360"	163.0481	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M"	0
"975416"	144.02971	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H2O-H"	-19.01839
"74235"	107.691457333333	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-3H"	-3.021828
"506144"	162.040824	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-3H"	-3.021828
"882851"	53.3420906666667	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-3H"	-3.021828
"112"	162.040824	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H"	-2.014552
"442446"	243.564874	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H"	-2.014552
"824257"	80.516774	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H"	-2.014552
"87528"	325.088924	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-H"	-1.007276
"523809"	488.137024	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-H"	-1.007276
"904891"	162.040824	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H"	-1.007276
"53800"	342.115471	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H+NH4"	16.019271
"491171"	505.163571	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H+NH4"	16.019271
"868975"	179.067371	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H+NH4"	16.019271
"36875"	347.070866	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H+Na"	20.974666
"478624"	510.118966	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H+Na"	20.974666
"858614"	184.022766	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H+Na"	20.974666
"1631426"	184.022766	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na-2H"	20.974666
"105769"	180.029163	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-H+Cl"	33.962126
"540957"	261.553213	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-H+Cl"	33.962126
"930097"	98.505113	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+Cl"	33.962126
"271936"	361.065602	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Cl"	34.969402
"662170"	524.113702	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+Cl"	34.969402
"1278949"	198.017502	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl"	34.969402
"22597"	363.044806	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M-2H+K"	36.948606
"458878"	526.092906	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M-2H+K"	36.948606
"841055"	199.996706	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-2H+K"	36.948606
"1564543"	199.996706	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K-2H"	36.948606
"946954"	208.046294	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+HCOOH"	44.998194
"363710"	371.094401	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+HCOOH-H"	44.998201
"353428"	385.110051	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Hac-H"	59.013851
"1500074"	222.061951	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Hac-H"	59.013851
"969802"	230.028251	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+NaCOOH"	66.980151
"125557"	198.017502	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2Cl"	69.938804
"561550"	279.541552	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2Cl"	69.938804
"1030349"	116.493452	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2Cl"	69.938804
"1248834"	241.966985	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Br"	78.918885
"1318350"	244.022972	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl+HCOOH"	80.974872
"1334264"	266.004929	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl+NaCOOH"	102.956829
"926657"	276.033686	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M-H+CF3COOH"	112.985586
"1302391"	312.010364	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Cl+CF3COOH"	148.962264
"1380919"	128.035424	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H-2H2O"	-35.012676
"1396958"	146.0454	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H-H2O"	-17.0027
"294456"	327.103476	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H"	1.007276
"689673"	490.151576	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H"	1.007276
"1366388"	164.055376	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H"	1.007276
"137573"	164.055376	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2H"	2.014552
"578592"	245.579426	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2H"	2.014552
"1051038"	82.531326	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2H"	2.014552
"217842"	109.706009333333	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+3H"	3.021828
"657406"	164.055376	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+3H"	3.021828
"1175171"	55.3566426666667	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+3H"	3.021828
"436619"	344.130023	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+NH4"	18.033823
"797614"	507.178123	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+NH4"	18.033823
"1691396"	181.081923	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+NH4"	18.033823
"340764"	172.5686495	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H+NH4"	19.041099
"735009"	254.0926995	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H+NH4"	19.041099
"1484818"	91.0445995	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+NH4"	19.041099
"394021"	349.085418	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Na"	22.989218
"760121"	512.133518	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+Na"	22.989218
"1613322"	186.037318	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na"	22.989218
"319349"	175.046347	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H+Na"	23.996494
"712864"	256.570397	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H+Na"	23.996494
"1467779"	93.522297	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+Na"	23.996494
"1061026"	62.6839566666667	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2H+Na"	25.00377
"1264892"	196.081586	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+CH3OH+H"	33.033486
"383469"	365.059358	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+K"	38.963158
"742278"	528.107458	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+K"	38.963158
"1542874"	202.011258	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K"	38.963158
"308071"	183.033317	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+H+K"	39.970434
"698305"	264.557367	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+H+K"	39.970434
"1453219"	101.509267	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+K"	39.970434
"248384"	368.130026	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+ACN+H"	42.033826
"1219998"	205.081926	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+ACN+H"	42.033826
"1206435"	103.044601	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+ACN+2H"	43.041102
"200038"	371.06736	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2Na-H"	44.97116
"637408"	534.11546	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2Na-H"	44.97116
"1139821"	208.01926	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2Na-H"	44.97116
"183108"	186.037318	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2Na"	45.978436
"621575"	267.561368	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2Na"	45.978436
"1123992"	104.513268	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2Na"	45.978436
"1407152"	70.0112706666667	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+2Na"	46.985712
"1438536"	210.060846	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+HCOOH"	47.012746
"221183"	191.07034	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+3H2O+2H"	56.04448
"1509848"	224.11289	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+IsoProp+H"	61.06479
"413791"	194.024288	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+Na+K"	61.952376
"773696"	275.548338	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+Na+K"	61.952376
"1671120"	112.500238	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na+K"	61.952376
"261651"	390.111968	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+ACN+Na"	64.015768
"1229255"	227.063868	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+ACN+Na"	64.015768
"1718145"	227.087393	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+NH4+HCOOH"	64.039293
"1187873"	77.3385846666667	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+3Na"	68.967654
"1661052"	232.042788	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na+HCOOH"	68.994688
"165726"	403.01524	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2K-H"	76.91904
"605285"	566.06334	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2K-H"	76.91904
"1093078"	239.96714	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2K-H"	76.91904
"153174"	202.011258	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"2M+2K"	77.926316
"591642"	283.535308	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"3M+2K"	77.926316
"1072146"	120.487208	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2K"	77.926316
"1100981"	241.981692	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2K+H"	78.933592
"1341376"	242.069307	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+DMSO+H"	79.021207
"1009905"	246.108476	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2ACN+H"	83.060376
"1524383"	247.102108	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+IsoProp+Na+H"	84.054008
"991564"	123.557876	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+2ACN+2H"	84.067652
"1588981"	248.016728	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K+HCOOH"	84.968628
"1417924"	278.048238	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+H+CF3COOH"	115.000138
"1147240"	144.071151	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+3ACN+2H"	125.094202
"1698859"	295.074785	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+NH4+CF3COOH"	132.026685
"1644359"	300.03018	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+Na+CF3COOH"	136.98208
"1580009"	316.00412	"C03079"	"4-Hydroxy-L-glutamate;4-Hydroxy-L-glutamic acid"	"C5H9NO5"	"163.0481"	"M+K+CF3COOH"	152.95602
"810377"	166.063	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M"	0
"975162"	147.04461	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"77260"	109.701390666667	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"503163"	165.055724	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"881868"	54.3470573333333	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"5909"	165.055724	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"440112"	248.087224	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"817187"	82.024224	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"82171"	331.118724	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"520638"	497.181724	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"904999"	165.055724	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"49532"	348.145271	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"492372"	514.208271	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"869083"	182.082271	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"33704"	353.100666	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"483835"	519.163666	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"861637"	187.037666	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1630809"	187.037666	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"106607"	183.044063	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"535599"	266.075563	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"929113"	100.012563	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"272046"	367.095402	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"667748"	533.158402	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1277965"	201.032402	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"19427"	369.074606	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"463362"	535.137606	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"841165"	203.011606	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1564653"	203.011606	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"950345"	211.061194	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"368560"	377.124201	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"355726"	391.139851	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1500184"	225.076851	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"972100"	233.043151	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"125266"	201.032402	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"563847"	284.063902	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1030460"	118.000902	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1250037"	244.981885	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1319067"	247.037872	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1334372"	269.019829	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"926889"	279.048586	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1303643"	315.025264	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1382584"	131.050324	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1397433"	149.0603	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"295660"	333.133276	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"688082"	499.196276	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1366014"	167.070276	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H"	1.007276
"137683"	167.070276	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"579795"	250.101776	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1051146"	84.038776	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"215764"	111.715942666667	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"657516"	167.070276	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1174918"	56.3616093333333	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"437456"	350.159823	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"797724"	516.222823	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1693326"	184.096823	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"340873"	175.5835495	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"733661"	258.6150495	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1487116"	92.5520495	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"402151"	355.115218	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"765333"	521.178218	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1614525"	189.052218	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"322739"	178.061247	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"712974"	261.092747	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1473358"	95.029747	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1064051"	63.6889233333333	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1265005"	199.096486	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"383580"	371.089158	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"744574"	537.152158	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1542620"	205.026158	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+K"	38.963158
"310368"	186.048217	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"703524"	269.079717	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1457702"	103.016717	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"249584"	374.159826	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1221201"	208.096826	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1207271"	104.552051	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"200145"	377.09716	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"637519"	543.16016	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1142117"	211.03416	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"184316"	189.052218	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"624967"	272.083718	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1125195"	106.020718	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1406530"	71.0162373333333	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1440831"	213.075746	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"223967"	194.08524	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1514217"	227.12779	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"412811"	197.039188	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"779275"	280.070688	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1678524"	114.007688	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"263951"	396.141768	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1234835"	230.078768	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1720442"	230.102293	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1183609"	78.3435513333333	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1660068"	235.057688	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"165835"	409.04504	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"610864"	575.10804	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1096470"	242.98204	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"153286"	205.026158	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"592847"	288.057658	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1078453"	121.994658	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1102916"	244.996592	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1346953"	245.084207	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1008923"	249.123376	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1526320"	250.117008	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"995684"	125.065326	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1591279"	251.031628	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1420222"	281.063138	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1149418"	145.578601	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1700065"	298.089685	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1635721"	303.04508	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1576839"	319.01902	"C03080"	"4-Hydroxyhydratropate"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"812673"	176.0473	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M"	0
"978552"	157.02891	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-H2O-H"	-19.01839
"72265"	116.357590666667	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M-3H"	-3.021828
"507451"	175.040024	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M-3H"	-3.021828
"881250"	57.6751573333333	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-3H"	-3.021828
"4926"	175.040024	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M-2H"	-2.014552
"445581"	263.063674	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M-2H"	-2.014552
"817663"	87.016374	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-2H"	-2.014552
"85561"	351.087324	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M-H"	-1.007276
"518923"	527.134624	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M-H"	-1.007276
"901829"	175.040024	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-H"	-1.007276
"49642"	368.113871	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M-2H+NH4"	16.019271
"491390"	544.161171	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M-2H+NH4"	16.019271
"866034"	192.066571	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-2H+NH4"	16.019271
"33814"	373.069266	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M-2H+Na"	20.974666
"484309"	549.116566	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M-2H+Na"	20.974666
"862113"	197.021966	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-2H+Na"	20.974666
"1630557"	197.021966	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Na-2H"	20.974666
"105990"	193.028363	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M-H+Cl"	33.962126
"537895"	281.052013	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M-H+Cl"	33.962126
"933597"	105.004713	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-H+Cl"	33.962126
"272156"	387.064002	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+Cl"	34.969402
"667858"	563.111302	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+Cl"	34.969402
"1279168"	211.016702	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Cl"	34.969402
"20630"	389.043206	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M-2H+K"	36.948606
"464565"	565.090506	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M-2H+K"	36.948606
"842368"	212.995906	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-2H+K"	36.948606
"1565856"	212.995906	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+K-2H"	36.948606
"950455"	221.045494	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-H+HCOOH"	44.998194
"369763"	397.092801	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+HCOOH-H"	44.998201
"356929"	411.108451	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+Hac-H"	59.013851
"1501387"	235.061151	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Hac-H"	59.013851
"973303"	243.027451	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-H+NaCOOH"	66.980151
"125577"	211.016702	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+2Cl"	69.938804
"564322"	299.040352	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+2Cl"	69.938804
"1033850"	122.993052	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2Cl"	69.938804
"1253428"	254.966185	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Br"	78.918885
"1318085"	257.022172	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Cl+HCOOH"	80.974872
"1334480"	279.004129	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Cl+NaCOOH"	102.956829
"926272"	289.032886	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M-H+CF3COOH"	112.985586
"1302619"	325.009564	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Cl+CF3COOH"	148.962264
"1382399"	141.034624	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H-2H2O"	-35.012676
"1397906"	159.0446	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H-H2O"	-17.0027
"297836"	353.101876	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+H"	1.007276
"690014"	529.149176	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+H"	1.007276
"1365271"	177.054576	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H"	1.007276
"139615"	177.054576	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+2H"	2.014552
"581000"	265.078226	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+2H"	2.014552
"1051618"	89.030926	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2H"	2.014552
"216603"	118.372142666667	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+3H"	3.021828
"654707"	177.054576	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+3H"	3.021828
"1177817"	59.6897093333333	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+3H"	3.021828
"437931"	370.128423	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+NH4"	18.033823
"798927"	546.175723	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+NH4"	18.033823
"1694164"	194.081123	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+NH4"	18.033823
"343169"	185.5678495	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+H+NH4"	19.041099
"734864"	273.5914995	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+H+NH4"	19.041099
"1490871"	97.5441995	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H+NH4"	19.041099
"402625"	375.083818	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+Na"	22.989218
"763620"	551.131118	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+Na"	22.989218
"1614999"	199.036518	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Na"	22.989218
"319569"	188.045547	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+H+Na"	23.996494
"713084"	276.069197	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+H+Na"	23.996494
"1474561"	100.021897	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H+Na"	23.996494
"1065254"	67.0170233333333	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2H+Na"	25.00377
"1271067"	209.080786	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+CH3OH+H"	33.033486
"390249"	391.057758	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+K"	38.963158
"750150"	567.105058	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+K"	38.963158
"1550017"	215.010458	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+K"	38.963158
"311575"	196.032517	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+H+K"	39.970434
"703631"	284.056167	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+H+K"	39.970434
"1457812"	108.008867	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H+K"	39.970434
"248600"	394.128426	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+ACN+H"	42.033826
"1222406"	218.081126	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+ACN+H"	42.033826
"1205194"	109.544201	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+ACN+2H"	43.041102
"201714"	397.06576	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+2Na-H"	44.97116
"631068"	573.11306	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+2Na-H"	44.97116
"1140041"	221.01846	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2Na-H"	44.97116
"182238"	199.036518	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+2Na"	45.978436
"622889"	287.060168	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+2Na"	45.978436
"1127128"	111.012868	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2Na"	45.978436
"1406640"	74.3443373333333	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H+2Na"	46.985712
"1438754"	223.060046	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H+HCOOH"	47.012746
"224077"	204.06954	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+3H2O+2H"	56.04448
"1513233"	237.11209	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+IsoProp+H"	61.06479
"412919"	207.023488	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+Na+K"	61.952376
"780478"	295.047138	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+Na+K"	61.952376
"1677904"	118.999838	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Na+K"	61.952376
"264790"	416.110368	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+ACN+Na"	64.015768
"1237132"	240.063068	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+ACN+Na"	64.015768
"1718364"	240.086593	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+NH4+HCOOH"	64.039293
"1187001"	81.6716513333333	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+3Na"	68.967654
"1657990"	245.041988	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Na+HCOOH"	68.994688
"163757"	429.01364	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+2K-H"	76.91904
"606598"	605.06094	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+2K-H"	76.91904
"1094391"	252.96634	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2K-H"	76.91904
"151206"	215.010458	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"2M+2K"	77.926316
"594049"	303.034108	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"3M+2K"	77.926316
"1075283"	126.986808	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2K"	77.926316
"1104482"	254.980892	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2K+H"	78.933592
"1342688"	255.068507	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+DMSO+H"	79.021207
"1008302"	259.107676	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2ACN+H"	83.060376
"1530440"	260.101308	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+IsoProp+Na+H"	84.054008
"994700"	130.057476	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+2ACN+2H"	84.067652
"1589203"	261.015928	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+K+HCOOH"	84.968628
"1420332"	291.047438	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+H+CF3COOH"	115.000138
"1148434"	150.570751	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+3ACN+2H"	125.094202
"1699083"	308.073985	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+NH4+CF3COOH"	132.026685
"1636924"	313.02938	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+Na+CF3COOH"	136.98208
"1576949"	329.00332	"C03081"	"4-Methylumbelliferone;Hymecromone"	"C10H8O3"	"176.0473"	"M+K+CF3COOH"	152.95602
"811690"	213.0038	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M"	0
"981944"	193.98541	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-H2O-H"	-19.01839
"76749"	140.995257333333	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M-3H"	-3.021828
"509748"	211.996524	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M-3H"	-3.021828
"891930"	69.9939906666667	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-3H"	-3.021828
"12689"	211.996524	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M-2H"	-2.014552
"452250"	318.498424	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M-2H"	-2.014552
"825680"	105.494624	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-2H"	-2.014552
"90412"	425.000324	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M-H"	-1.007276
"524138"	638.004124	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M-H"	-1.007276
"905219"	211.996524	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-H"	-1.007276
"57406"	442.026871	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M-2H+NH4"	16.019271
"496967"	655.030671	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M-2H+NH4"	16.019271
"872583"	229.023071	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-2H+NH4"	16.019271
"42671"	446.982266	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M-2H+Na"	20.974666
"484420"	659.986066	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M-2H+Na"	20.974666
"861130"	233.978466	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-2H+Na"	20.974666
"1631397"	233.978466	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Na-2H"	20.974666
"108286"	229.984863	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M-H+Cl"	33.962126
"544567"	336.486763	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M-H+Cl"	33.962126
"932614"	123.482963	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-H+Cl"	33.962126
"276640"	460.977002	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+Cl"	34.969402
"670155"	673.980802	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+Cl"	34.969402
"1281465"	247.973202	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Cl"	34.969402
"26938"	462.956206	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M-2H+K"	36.948606
"464676"	675.960006	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M-2H+K"	36.948606
"844666"	249.952406	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-2H+K"	36.948606
"1564873"	249.952406	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+K-2H"	36.948606
"950566"	258.001994	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-H+HCOOH"	44.998194
"374978"	471.005801	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+HCOOH-H"	44.998201
"359227"	485.021451	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+Hac-H"	59.013851
"1503684"	272.017651	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Hac-H"	59.013851
"973413"	279.983951	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-H+NaCOOH"	66.980151
"123413"	247.973202	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+2Cl"	69.938804
"565162"	354.475102	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+2Cl"	69.938804
"1035427"	141.471302	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2Cl"	69.938804
"1252446"	291.922685	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Br"	78.918885
"1319525"	293.978672	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Cl+HCOOH"	80.974872
"1334225"	315.960629	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Cl+NaCOOH"	102.956829
"924553"	325.989386	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M-H+CF3COOH"	112.985586
"1303702"	361.966064	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Cl+CF3COOH"	148.962264
"1382735"	177.991124	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H-2H2O"	-35.012676
"1397287"	196.0011	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H-H2O"	-17.0027
"298273"	427.014876	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+H"	1.007276
"691021"	640.018676	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+H"	1.007276
"1366475"	214.011076	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H"	1.007276
"141187"	214.011076	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+2H"	2.014552
"580381"	320.512976	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+2H"	2.014552
"1052220"	107.509176	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2H"	2.014552
"218173"	143.009809333333	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+3H"	3.021828
"655178"	214.011076	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+3H"	3.021828
"1176596"	72.0085426666667	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+3H"	3.021828
"438044"	444.041423	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+NH4"	18.033823
"800130"	657.045223	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+NH4"	18.033823
"1692818"	231.037623	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+NH4"	18.033823
"341094"	222.5243495	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+H+NH4"	19.041099
"734609"	329.0262495	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+H+NH4"	19.041099
"1492078"	116.0224495	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H+NH4"	19.041099
"407111"	448.996818	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+Na"	22.989218
"769201"	662.000618	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+Na"	22.989218
"1615110"	235.993018	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Na"	22.989218
"324053"	225.002047	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+H+Na"	23.996494
"717568"	331.503947	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+H+Na"	23.996494
"1475644"	118.500147	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H+Na"	23.996494
"1062448"	79.3358566666667	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2H+Na"	25.00377
"1272514"	246.037286	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+CH3OH+H"	33.033486
"392060"	464.970758	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+K"	38.963158
"748077"	677.974558	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+K"	38.963158
"1551222"	251.966958	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+K"	38.963158
"313144"	232.989017	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+H+K"	39.970434
"707002"	339.490917	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+H+K"	39.970434
"1460480"	126.487117	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H+K"	39.970434
"250536"	468.041426	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+ACN+H"	42.033826
"1224581"	255.037626	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+ACN+H"	42.033826
"1207130"	128.022451	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+ACN+2H"	43.041102
"201094"	470.97876	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+2Na-H"	44.97116
"629353"	683.98256	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+2Na-H"	44.97116
"1141244"	257.97496	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2Na-H"	44.97116
"185628"	235.993018	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+2Na"	45.978436
"623000"	342.494918	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+2Na"	45.978436
"1129060"	129.491118	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2Na"	45.978436
"1406752"	86.6631706666667	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H+2Na"	46.985712
"1442147"	260.016546	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H+HCOOH"	47.012746
"224188"	241.02604	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+3H2O+2H"	56.04448
"1513345"	274.06859	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+IsoProp+H"	61.06479
"416311"	243.979988	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+Na+K"	61.952376
"780588"	350.481888	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+Na+K"	61.952376
"1678015"	137.478088	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Na+K"	61.952376
"264536"	490.023368	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+ACN+Na"	64.015768
"1236150"	277.019568	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+ACN+Na"	64.015768
"1721754"	277.043093	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+NH4+HCOOH"	64.039293
"1191484"	93.9904846666667	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+3Na"	68.967654
"1659194"	281.998488	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Na+HCOOH"	68.994688
"164960"	502.92664	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+2K-H"	76.91904
"606708"	715.93044	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+2K-H"	76.91904
"1095595"	289.92284	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2K-H"	76.91904
"151317"	251.966958	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"2M+2K"	77.926316
"593066"	358.468858	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"3M+2K"	77.926316
"1075392"	145.465058	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2K"	77.926316
"1106414"	291.937392	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2K+H"	78.933592
"1343891"	292.025007	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+DMSO+H"	79.021207
"1009140"	296.064176	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2ACN+H"	83.060376
"1528362"	297.057808	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+IsoProp+Na+H"	84.054008
"995902"	148.535726	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+2ACN+2H"	84.067652
"1590405"	297.972428	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+K+HCOOH"	84.968628
"1416431"	328.003938	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+H+CF3COOH"	115.000138
"1148543"	169.049001	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+3ACN+2H"	125.094202
"1697733"	345.030485	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+NH4+CF3COOH"	132.026685
"1644689"	349.98588	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+Na+CF3COOH"	136.98208
"1577059"	365.95982	"C03082"	"4-Phospho-L-aspartate;L-4-Aspartyl phosphate"	"C4H8NO7P"	"213.0038"	"M+K+CF3COOH"	152.95602
"815085"	159.0895	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M"	0
"977684"	140.07111	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-H2O-H"	-19.01839
"74675"	105.052390666667	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M-3H"	-3.021828
"509861"	158.082224	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M-3H"	-3.021828
"886569"	52.0225573333333	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-3H"	-3.021828
"5144"	158.082224	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M-2H"	-2.014552
"447986"	237.626974	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M-2H"	-2.014552
"826881"	78.537474	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-2H"	-2.014552
"86874"	317.171724	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M-H"	-1.007276
"530807"	476.261224	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M-H"	-1.007276
"907518"	158.082224	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-H"	-1.007276
"56427"	334.198271	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M-2H+NH4"	16.019271
"497080"	493.287771	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M-2H+NH4"	16.019271
"870507"	175.108771	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-2H+NH4"	16.019271
"43875"	339.153666	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M-2H+Na"	20.974666
"485261"	498.243166	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M-2H+Na"	20.974666
"862334"	180.064166	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-2H+Na"	20.974666
"1631867"	180.064166	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Na-2H"	20.974666
"106212"	176.070563	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M-H+Cl"	33.962126
"545772"	255.615313	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M-H+Cl"	33.962126
"932728"	96.525813	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-H+Cl"	33.962126
"275656"	353.148402	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+Cl"	34.969402
"672088"	512.237902	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+Cl"	34.969402
"1278295"	194.058902	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Cl"	34.969402
"28144"	355.127606	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M-2H+K"	36.948606
"460405"	514.217106	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M-2H+K"	36.948606
"837116"	196.038106	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-2H+K"	36.948606
"1566802"	196.038106	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+K-2H"	36.948606
"949583"	204.087694	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-H+HCOOH"	44.998194
"372902"	363.177201	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+HCOOH-H"	44.998201
"360312"	377.192851	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+Hac-H"	59.013851
"1507728"	218.103351	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Hac-H"	59.013851
"971337"	226.069651	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-H+NaCOOH"	66.980151
"122431"	194.058902	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+2Cl"	69.938804
"563456"	273.603652	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+2Cl"	69.938804
"1034810"	114.514152	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2Cl"	69.938804
"1256219"	238.008385	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Br"	78.918885
"1319759"	240.064372	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Cl+HCOOH"	80.974872
"1335074"	262.046329	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Cl+NaCOOH"	102.956829
"925759"	272.075086	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M-H+CF3COOH"	112.985586
"1303561"	308.051764	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Cl+CF3COOH"	148.962264
"1382500"	124.076824	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H-2H2O"	-35.012676
"1398131"	142.0868	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H-H2O"	-17.0027
"298375"	319.186276	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+H"	1.007276
"691046"	478.275776	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+H"	1.007276
"1366674"	160.096776	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H"	1.007276
"141015"	160.096776	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+2H"	2.014552
"580123"	239.641526	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+2H"	2.014552
"1048559"	80.552026	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2H"	2.014552
"213909"	107.066942666667	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+3H"	3.021828
"658209"	160.096776	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+3H"	3.021828
"1176702"	54.0371093333333	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+3H"	3.021828
"439122"	336.212823	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+NH4"	18.033823
"792222"	495.302323	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+NH4"	18.033823
"1691833"	177.123323	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+NH4"	18.033823
"337925"	168.6100495	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+H+NH4"	19.041099
"732532"	248.1547995	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+H+NH4"	19.041099
"1490362"	89.0652995	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H+NH4"	19.041099
"404668"	341.168218	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+Na"	22.989218
"769314"	500.257718	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+Na"	22.989218
"1618420"	182.078718	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Na"	22.989218
"329638"	171.087747	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+H+Na"	23.996494
"722342"	250.632497	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+H+Na"	23.996494
"1475880"	91.542997	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H+Na"	23.996494
"1066939"	61.3644233333333	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2H+Na"	25.00377
"1271774"	192.122986	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+CH3OH+H"	33.033486
"388286"	357.142158	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+K"	38.963158
"748188"	516.231658	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+K"	38.963158
"1553523"	198.052658	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+K"	38.963158
"311792"	179.074717	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+H+K"	39.970434
"705307"	258.619467	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+H+K"	39.970434
"1459126"	99.529967	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H+K"	39.970434
"248820"	360.212826	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+ACN+H"	42.033826
"1224894"	201.123326	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+ACN+H"	42.033826
"1208577"	101.065301	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+ACN+2H"	43.041102
"202298"	363.15016	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+2Na-H"	44.97116
"641130"	522.23966	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+2Na-H"	44.97116
"1144635"	204.06066	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2Na-H"	44.97116
"186103"	182.078718	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+2Na"	45.978436
"625662"	261.623468	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+2Na"	45.978436
"1121147"	102.533968	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2Na"	45.978436
"1406858"	68.6917373333333	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H+2Na"	46.985712
"1440068"	206.102246	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H+HCOOH"	47.012746
"225392"	187.11174	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+3H2O+2H"	56.04448
"1518921"	220.15429	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+IsoProp+H"	61.06479
"419701"	190.065688	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+Na+K"	61.952376
"781795"	269.610438	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+Na+K"	61.952376
"1671570"	110.520938	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Na+K"	61.952376
"260276"	382.194768	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+ACN+Na"	64.015768
"1229705"	223.105268	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+ACN+Na"	64.015768
"1715313"	223.128793	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+NH4+HCOOH"	64.039293
"1180666"	76.0190513333333	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+3Na"	68.967654
"1652745"	228.084188	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Na+HCOOH"	68.994688
"167260"	395.09804	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+2K-H"	76.91904
"604633"	554.18754	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+2K-H"	76.91904
"1095706"	236.00854	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2K-H"	76.91904
"152523"	198.052658	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"2M+2K"	77.926316
"589899"	277.597408	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"3M+2K"	77.926316
"1078783"	118.507908	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2K"	77.926316
"1110898"	238.023092	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2K+H"	78.933592
"1342908"	238.110707	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+DMSO+H"	79.021207
"1011437"	242.149876	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2ACN+H"	83.060376
"1527381"	243.143508	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+IsoProp+Na+H"	84.054008
"994927"	121.578576	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+2ACN+2H"	84.067652
"1592709"	244.058128	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+K+HCOOH"	84.968628
"1422747"	274.089638	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+H+CF3COOH"	115.000138
"1150848"	142.091851	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+3ACN+2H"	125.094202
"1704776"	291.116185	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+NH4+CF3COOH"	132.026685
"1645894"	296.07158	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+Na+CF3COOH"	136.98208
"1577171"	312.04552	"C03087"	"5-Acetamidopentanoate"	"C7H13NO3"	"159.0895"	"M+K+CF3COOH"	152.95602
"816288"	142.0378	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M"	0
"981074"	123.01941	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-H2O-H"	-19.01839
"76971"	93.6845906666667	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M-3H"	-3.021828
"508878"	141.030524	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M-3H"	-3.021828
"887772"	46.3386573333333	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-3H"	-3.021828
"7440"	141.030524	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M-2H"	-2.014552
"444086"	212.049424	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M-2H"	-2.014552
"823710"	70.011624	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-2H"	-2.014552
"86984"	283.068324	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M-H"	-1.007276
"528730"	425.106124	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M-H"	-1.007276
"908721"	141.030524	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-H"	-1.007276
"59816"	300.094871	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M-2H+NH4"	16.019271
"495002"	442.132671	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M-2H+NH4"	16.019271
"876084"	158.057071	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-2H+NH4"	16.019271
"46173"	305.050266	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M-2H+Na"	20.974666
"486099"	447.088066	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M-2H+Na"	20.974666
"861349"	163.012466	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-2H+Na"	20.974666
"1628699"	163.012466	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Na-2H"	20.974666
"106324"	159.018863	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M-H+Cl"	33.962126
"545518"	230.037763	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M-H+Cl"	33.962126
"930649"	87.999963	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-H+Cl"	33.962126
"272484"	319.045002	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+Cl"	34.969402
"666001"	461.082802	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+Cl"	34.969402
"1274030"	177.007202	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Cl"	34.969402
"19867"	321.024206	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M-2H+K"	36.948606
"458329"	463.062006	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M-2H+K"	36.948606
"841600"	178.986406	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-2H+K"	36.948606
"1565089"	178.986406	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+K-2H"	36.948606
"952974"	187.035994	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-H+HCOOH"	44.998194
"373376"	329.073801	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+HCOOH-H"	44.998201
"360056"	343.089451	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+Hac-H"	59.013851
"1506092"	201.051651	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Hac-H"	59.013851
"969261"	209.017951	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-H+NaCOOH"	66.980151
"120354"	177.007202	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+2Cl"	69.938804
"564538"	248.026102	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+2Cl"	69.938804
"1031998"	105.988302	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2Cl"	69.938804
"1255956"	220.956685	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Br"	78.918885
"1319298"	223.012672	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Cl+HCOOH"	80.974872
"1335542"	244.994629	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Cl+NaCOOH"	102.956829
"925865"	255.023386	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M-H+CF3COOH"	112.985586
"1300750"	291.000064	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Cl+CF3COOH"	148.962264
"1379642"	107.025124	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H-2H2O"	-35.012676
"1395681"	125.0351	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H-H2O"	-17.0027
"296461"	285.082876	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+H"	1.007276
"688518"	427.120676	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+H"	1.007276
"1359033"	143.045076	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H"	1.007276
"137027"	143.045076	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+2H"	2.014552
"579867"	214.063976	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+2H"	2.014552
"1051221"	72.026176	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2H"	2.014552
"213653"	95.6991426666667	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+3H"	3.021828
"653214"	143.045076	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+3H"	3.021828
"1175717"	48.3532093333333	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+3H"	3.021828
"435706"	302.109423	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+NH4"	18.033823
"789050"	444.147223	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+NH4"	18.033823
"1682826"	160.071623	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+NH4"	18.033823
"330621"	151.5583495	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+H+NH4"	19.041099
"723649"	222.5772495	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+H+NH4"	19.041099
"1479902"	80.5394495	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H+NH4"	19.041099
"397488"	307.064818	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+Na"	22.989218
"767233"	449.102618	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+Na"	22.989218
"1615331"	165.027018	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Na"	22.989218
"327434"	154.036047	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+H+Na"	23.996494
"718884"	225.054947	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+H+Na"	23.996494
"1475865"	83.017147	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H+Na"	23.996494
"1061577"	55.6805233333333	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2H+Na"	25.00377
"1265443"	175.071286	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+CH3OH+H"	33.033486
"386206"	323.038758	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+K"	38.963158
"752306"	465.076558	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+K"	38.963158
"1551445"	181.000958	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+K"	38.963158
"310808"	162.023017	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+H+K"	39.970434
"702135"	233.041917	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+H+K"	39.970434
"1460330"	91.004117	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H+K"	39.970434
"247836"	326.109426	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+ACN+H"	42.033826
"1224921"	184.071626	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+ACN+H"	42.033826
"1208080"	92.539451	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+ACN+2H"	43.041102
"198400"	329.04676	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+2Na-H"	44.97116
"637960"	471.08456	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+2Na-H"	44.97116
"1143651"	187.00896	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2Na-H"	44.97116
"185483"	165.027018	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+2Na"	45.978436
"618846"	236.045918	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+2Na"	45.978436
"1117004"	94.008118	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2Na"	45.978436
"1400408"	63.0078373333333	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H+2Na"	46.985712
"1435805"	189.050546	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H+HCOOH"	47.012746
"223679"	170.06004	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+3H2O+2H"	56.04448
"1513565"	203.10259	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+IsoProp+H"	61.06479
"413251"	173.013988	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+Na+K"	61.952376
"783366"	244.032888	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+Na+K"	61.952376
"1673868"	101.995088	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Na+K"	61.952376
"262572"	348.091368	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+ACN+Na"	64.015768
"1232002"	206.053568	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+ACN+Na"	64.015768
"1720891"	206.077093	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+NH4+HCOOH"	64.039293
"1182964"	70.3351513333333	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+3Na"	68.967654
"1655041"	211.032488	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Na+HCOOH"	68.994688
"168464"	360.99464	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+2K-H"	76.91904
"606931"	503.03244	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+2K-H"	76.91904
"1093630"	218.95684	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2K-H"	76.91904
"149353"	181.000958	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"2M+2K"	77.926316
"591101"	252.019858	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"3M+2K"	77.926316
"1074519"	109.982058	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2K"	77.926316
"1106634"	220.971392	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2K+H"	78.933592
"1339737"	221.059007	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+DMSO+H"	79.021207
"1008630"	225.098176	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2ACN+H"	83.060376
"1528582"	226.091808	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+IsoProp+Na+H"	84.054008
"995034"	113.052726	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+2ACN+2H"	84.067652
"1589537"	227.006428	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+K+HCOOH"	84.968628
"1426139"	257.037938	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+H+CF3COOH"	115.000138
"1155333"	133.566001	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+3ACN+2H"	125.094202
"1707073"	274.064485	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+NH4+CF3COOH"	132.026685
"1646004"	279.01988	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+Na+CF3COOH"	136.98208
"1577281"	294.99382	"C03088"	"5-Hydroxymethyluracil"	"C5H6N2O3"	"142.0378"	"M+K+CF3COOH"	152.95602
"815305"	180.0456	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M"	0
"977904"	161.02721	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-H2O-H"	-19.01839
"77081"	119.023124	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M-3H"	-3.021828
"508988"	179.038324	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M-3H"	-3.021828
"887882"	59.007924	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-3H"	-3.021828
"7550"	179.038324	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M-2H"	-2.014552
"446018"	269.061124	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M-2H"	-2.014552
"824913"	89.015524	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-2H"	-2.014552
"87094"	359.083924	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M-H"	-1.007276
"527747"	539.129524	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M-H"	-1.007276
"905554"	179.038324	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-H"	-1.007276
"58834"	376.110471	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M-2H+NH4"	16.019271
"498392"	556.156071	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M-2H+NH4"	16.019271
"876194"	196.064871	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-2H+NH4"	16.019271
"44097"	381.065866	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M-2H+Na"	20.974666
"486210"	561.111466	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M-2H+Na"	20.974666
"860731"	201.020266	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-2H+Na"	20.974666
"1630267"	201.020266	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Na-2H"	20.974666
"105339"	197.026663	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M-H+Cl"	33.962126
"541618"	287.049463	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M-H+Cl"	33.962126
"932943"	107.003863	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-H+Cl"	33.962126
"274778"	395.060602	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+Cl"	34.969402
"667202"	575.106202	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+Cl"	34.969402
"1279606"	215.015002	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Cl"	34.969402
"22163"	397.039806	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M-2H+K"	36.948606
"458438"	577.085406	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M-2H+K"	36.948606
"834419"	216.994206	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-2H+K"	36.948606
"1558638"	216.994206	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+K-2H"	36.948606
"953082"	225.043794	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-H+HCOOH"	44.998194
"373122"	405.089401	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+HCOOH-H"	44.998201
"360286"	419.105051	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+Hac-H"	59.013851
"1502922"	239.059451	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Hac-H"	59.013851
"969371"	247.025751	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-H+NaCOOH"	66.980151
"117184"	215.015002	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+2Cl"	69.938804
"563311"	305.037802	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+2Cl"	69.938804
"1033201"	124.992202	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2Cl"	69.938804
"1254973"	258.964485	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Br"	78.918885
"1319793"	261.020472	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Cl+HCOOH"	80.974872
"1335414"	283.002429	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Cl+NaCOOH"	102.956829
"922692"	293.031186	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M-H+CF3COOH"	112.985586
"1303291"	329.007864	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Cl+CF3COOH"	148.962264
"1382307"	145.032924	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H-2H2O"	-35.012676
"1395791"	163.0429	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H-H2O"	-17.0027
"296935"	361.098476	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+H"	1.007276
"689357"	541.144076	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+H"	1.007276
"1363519"	181.052876	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H"	1.007276
"135314"	181.052876	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+2H"	2.014552
"576332"	271.075676	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+2H"	2.014552
"1051696"	91.030076	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2H"	2.014552
"217043"	121.037676	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+3H"	3.021828
"654782"	181.052876	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+3H"	3.021828
"1172180"	61.022476	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+3H"	3.021828
"431442"	378.125023	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+NH4"	18.033823
"786244"	558.170623	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+NH4"	18.033823
"1681721"	198.079423	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+NH4"	18.033823
"330067"	189.5661495	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+H+NH4"	19.041099
"723071"	279.5889495	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+H+NH4"	19.041099
"1483292"	99.5433495	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H+NH4"	19.041099
"394318"	383.080418	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+Na"	22.989218
"767343"	563.126018	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+Na"	22.989218
"1615441"	203.034818	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Na"	22.989218
"328031"	192.043847	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+H+Na"	23.996494
"717901"	282.066647	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+H+Na"	23.996494
"1475854"	102.021047	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H+Na"	23.996494
"1062780"	68.34979	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2H+Na"	25.00377
"1265553"	213.079086	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+CH3OH+H"	33.033486
"386316"	399.054358	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+K"	38.963158
"750593"	579.099958	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+K"	38.963158
"1552648"	219.008758	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+K"	38.963158
"310918"	200.030817	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+H+K"	39.970434
"701152"	290.053617	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+H+K"	39.970434
"1459347"	110.008017	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H+K"	39.970434
"246853"	402.125026	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+ACN+H"	42.033826
"1222481"	222.079426	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+ACN+H"	42.033826
"1206003"	111.543351	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+ACN+2H"	43.041102
"199605"	405.06236	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+2Na-H"	44.97116
"632601"	585.10796	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+2Na-H"	44.97116
"1135014"	225.01676	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2Na-H"	44.97116
"183406"	203.034818	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+2Na"	45.978436
"613489"	293.057618	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+2Na"	45.978436
"1116135"	113.012018	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2Na"	45.978436
"1398850"	75.677104	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H+2Na"	46.985712
"1429982"	227.058346	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H+HCOOH"	47.012746
"221602"	208.06784	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+3H2O+2H"	56.04448
"1512581"	241.11039	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+IsoProp+H"	61.06479
"411174"	211.021788	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+Na+K"	61.952376
"780924"	301.044588	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+Na+K"	61.952376
"1671790"	120.998988	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Na+K"	61.952376
"261589"	424.106968	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+ACN+Na"	64.015768
"1231018"	244.061368	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+ACN+Na"	64.015768
"1719906"	244.084893	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+NH4+HCOOH"	64.039293
"1183073"	83.004418	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+3Na"	68.967654
"1652235"	249.040288	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Na+HCOOH"	68.994688
"164200"	437.01024	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+2K-H"	76.91904
"603761"	617.05584	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+2K-H"	76.91904
"1092646"	256.96464	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2K-H"	76.91904
"145089"	219.008758	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"2M+2K"	77.926316
"592304"	309.031558	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"3M+2K"	77.926316
"1071348"	128.985958	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2K"	77.926316
"1105649"	258.979192	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2K+H"	78.933592
"1338387"	259.066807	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+DMSO+H"	79.021207
"1009469"	263.105976	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2ACN+H"	83.060376
"1526506"	264.099608	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+IsoProp+Na+H"	84.054008
"995144"	132.056626	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+2ACN+2H"	84.067652
"1589647"	265.014228	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+K+HCOOH"	84.968628
"1426249"	295.045738	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+H+CF3COOH"	115.000138
"1155443"	152.569901	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+3ACN+2H"	125.094202
"1707183"	312.072285	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+NH4+CF3COOH"	132.026685
"1646114"	317.02768	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+Na+CF3COOH"	136.98208
"1577391"	333.00162	"C03089"	"5-Methylthio-D-ribose;S-Methyl-5-thio-D-ribose"	"C6H12O4S"	"180.0456"	"M+K+CF3COOH"	152.95602
"807762"	229.0351	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M"	0
"978014"	210.01671	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-H2O-H"	-19.01839
"73912"	151.682790666667	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M-3H"	-3.021828
"514565"	228.027824	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M-3H"	-3.021828
"890180"	75.3377573333333	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-3H"	-3.021828
"14833"	228.027824	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M-2H"	-2.014552
"448313"	342.545374	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M-2H"	-2.014552
"825024"	113.510274	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-2H"	-2.014552
"87203"	457.062924	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M-H"	-1.007276
"530774"	686.098024	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M-H"	-1.007276
"905662"	228.027824	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-H"	-1.007276
"54569"	474.089471	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M-2H+NH4"	16.019271
"495222"	703.124571	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M-2H+NH4"	16.019271
"873024"	245.054371	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-2H+NH4"	16.019271
"43482"	479.044866	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M-2H+Na"	20.974666
"483407"	708.079966	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M-2H+Na"	20.974666
"859383"	250.009766	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-2H+Na"	20.974666
"1627825"	250.009766	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Na-2H"	20.974666
"104721"	246.016163	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M-H+Cl"	33.962126
"539540"	360.533713	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M-H+Cl"	33.962126
"934148"	131.498613	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-H+Cl"	33.962126
"273795"	493.039602	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+Cl"	34.969402
"670593"	722.074702	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+Cl"	34.969402
"1281904"	264.004502	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Cl"	34.969402
"20085"	495.018806	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M-2H+K"	36.948606
"460739"	724.053906	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M-2H+K"	36.948606
"843644"	265.983706	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-2H+K"	36.948606
"1567133"	265.983706	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+K-2H"	36.948606
"955745"	274.033294	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-H+HCOOH"	44.998194
"371408"	503.068401	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+HCOOH-H"	44.998201
"359302"	517.084051	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+Hac-H"	59.013851
"1503031"	288.048951	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Hac-H"	59.013851
"968388"	296.015251	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-H+NaCOOH"	66.980151
"118387"	264.004502	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+2Cl"	69.938804
"561599"	378.522052	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+2Cl"	69.938804
"1033680"	149.486952	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2Cl"	69.938804
"1252163"	307.953985	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Br"	78.918885
"1319682"	310.009972	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Cl+HCOOH"	80.974872
"1331381"	331.991929	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Cl+NaCOOH"	102.956829
"922074"	342.020686	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M-H+CF3COOH"	112.985586
"1301334"	377.997364	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Cl+CF3COOH"	148.962264
"1381566"	194.022424	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H-2H2O"	-35.012676
"1397977"	212.0324	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H-H2O"	-17.0027
"298306"	459.077476	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+H"	1.007276
"690565"	688.112576	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+H"	1.007276
"1363629"	230.042376	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H"	1.007276
"137976"	230.042376	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+2H"	2.014552
"578266"	344.559926	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+2H"	2.014552
"1047794"	115.524826	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2H"	2.014552
"209500"	153.697342666667	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+3H"	3.021828
"656351"	230.042376	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+3H"	3.021828
"1171560"	77.3523093333333	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+3H"	3.021828
"428277"	476.104023	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+NH4"	18.033823
"790361"	705.139123	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+NH4"	18.033823
"1681591"	247.068923	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+NH4"	18.033823
"330720"	238.5556495	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+H+NH4"	19.041099
"723264"	353.0731995	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+H+NH4"	19.041099
"1480123"	124.0380995	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H+NH4"	19.041099
"404270"	481.059418	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+Na"	22.989218
"759798"	710.094518	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+Na"	22.989218
"1617376"	252.024318	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Na"	22.989218
"329601"	241.033347	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+H+Na"	23.996494
"716915"	355.550897	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+H+Na"	23.996494
"1474019"	126.515797	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H+Na"	23.996494
"1061797"	84.6796233333333	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2H+Na"	25.00377
"1266759"	262.068586	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+CH3OH+H"	33.033486
"389707"	497.033358	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+K"	38.963158
"750703"	726.068458	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+K"	38.963158
"1553486"	267.998258	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+K"	38.963158
"312120"	249.020317	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+H+K"	39.970434
"704542"	363.537867	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+H+K"	39.970434
"1459822"	134.502767	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H+K"	39.970434
"248062"	500.104026	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+ACN+H"	42.033826
"1221501"	271.068926	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+ACN+H"	42.033826
"1199552"	136.038101	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+ACN+2H"	43.041102
"200443"	503.04136	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+2Na-H"	44.97116
"634897"	732.07646	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+2Na-H"	44.97116
"1142776"	274.00626	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2Na-H"	44.97116
"175133"	252.024318	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+2Na"	45.978436
"616514"	366.541868	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+2Na"	45.978436
"1118563"	137.506768	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2Na"	45.978436
"1402817"	92.0069373333333	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H+2Na"	46.985712
"1431650"	276.047846	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H+HCOOH"	47.012746
"224996"	257.05734	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+3H2O+2H"	56.04448
"1511599"	290.09989	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+IsoProp+H"	61.06479
"417121"	260.011288	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+Na+K"	61.952376
"785169"	374.528838	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+Na+K"	61.952376
"1674088"	145.493738	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Na+K"	61.952376
"256234"	522.085968	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+ACN+Na"	64.015768
"1233319"	293.050868	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+ACN+Na"	64.015768
"1723299"	293.074393	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+NH4+HCOOH"	64.039293
"1180268"	99.3342513333333	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+3Na"	68.967654
"1654169"	298.029788	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Na+HCOOH"	68.994688
"166497"	534.98924	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+2K-H"	76.91904
"603871"	764.02434	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+2K-H"	76.91904
"1090570"	305.95414	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2K-H"	76.91904
"151761"	267.998258	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"2M+2K"	77.926316
"592414"	382.515808	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"3M+2K"	77.926316
"1072553"	153.480708	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2K"	77.926316
"1105761"	307.968692	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2K+H"	78.933592
"1341050"	308.056307	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+DMSO+H"	79.021207
"1007516"	312.095476	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2ACN+H"	83.060376
"1525523"	313.089108	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+IsoProp+Na+H"	84.054008
"994161"	156.551376	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+2ACN+2H"	84.067652
"1590854"	314.003728	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+K+HCOOH"	84.968628
"1423077"	344.035238	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+H+CF3COOH"	115.000138
"1161387"	177.064651	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+3ACN+2H"	125.094202
"1706199"	361.061785	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+NH4+CF3COOH"	132.026685
"1642941"	366.01718	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+Na+CF3COOH"	136.98208
"1575315"	381.99112	"C03090"	"5-Phosphoribosylamine;5-Phospho-beta-D-ribosylamine;5-Phospho-D-ribosylamine;5-Phosphoribosyl-1-amine"	"C5H12NO7P"	"229.0351"	"M+K+CF3COOH"	152.95602
"816136"	386.3549	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M"	0
"978124"	367.33651	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"76209"	256.562657333333	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"504834"	385.347624	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"892477"	127.777690666667	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"7772"	385.347624	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"450611"	578.525074	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"827322"	192.170174	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"88406"	771.702524	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"530883"	1158.057424	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"906868"	385.347624	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"57597"	788.729071	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"498613"	1175.083971	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"877025"	402.374171	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"43225"	793.684466	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"484611"	1180.039366	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"860586"	407.329566	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1630849"	407.329566	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"104831"	403.335963	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"539651"	596.513413	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"936444"	210.158513	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"278282"	807.679202	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"669610"	1194.034102	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1277640"	421.324302	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"19101"	809.658406	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"463036"	1196.013306	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"843025"	423.303506	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1569430"	423.303506	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"956585"	431.353094	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"370425"	817.708001	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"358685"	831.723651	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1502047"	445.368751	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"970687"	453.335051	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"117403"	421.324302	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"562071"	614.501752	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1033424"	228.146852	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1250814"	465.273785	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1319347"	467.329772	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1333801"	489.311729	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"926441"	499.340486	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1303755"	535.317164	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1381918"	351.342224	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1398083"	369.3522	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"296427"	773.717076	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"690796"	1160.071976	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1366738"	387.362176	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H"	1.007276
"139180"	387.362176	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"579105"	580.539626	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1051185"	194.184726	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"213985"	258.577209333333	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"654640"	387.362176	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1169486"	129.792242666667	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"431667"	790.743623	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"789378"	1177.098523	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1685711"	404.388723	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"335082"	395.8754495	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"726412"	589.0528995	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1486794"	202.6979995	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"407662"	795.699018	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"769391"	1182.053918	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1617776"	409.344118	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"329801"	398.353147	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"722131"	591.530597	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1477001"	205.175697	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1065189"	137.119556666667	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1265778"	419.388386	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"391885"	811.672958	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"751910"	1198.027858	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1552866"	425.318058	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+K"	38.963158
"313208"	406.340117	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"702467"	599.517567	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1458474"	213.162667	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"248173"	814.743626	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1223192"	428.388726	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1202579"	214.698001	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"202009"	817.68096	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"632821"	1204.03586	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1140702"	431.32606	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"180710"	409.344118	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"620269"	602.521568	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1121589"	216.166668	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1401105"	144.446870666667	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1431517"	433.367646	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"225106"	414.37714	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1513897"	447.41969	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"417231"	417.331088	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"785563"	610.508538	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1676384"	224.153638	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"258532"	836.725568	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1235615"	450.370668	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1725595"	450.394193	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1180378"	151.774184666667	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1656466"	455.349588	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"169887"	849.62884	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"603981"	1235.98374	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1091773"	463.27394	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"146404"	425.318058	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"585964"	618.495508	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1074850"	232.140608	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1109151"	465.288492	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1340067"	465.376107	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1007870"	469.415276	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1525755"	470.408908	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"992077"	235.211276	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1589872"	471.323528	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1415531"	501.355038	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1153476"	255.724551	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1699747"	518.381585	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1636126"	523.33698	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1574332"	539.31092	"C03091"	"5beta-Cholestan-3-one;Coprostan-3-one"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"811260"	170.1307	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M"	0
"978234"	151.11231	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"75226"	112.413190666667	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"505309"	169.123424	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"892587"	55.7029573333333	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"6789"	169.123424	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"449628"	254.188774	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"827432"	84.058074	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"87423"	339.254124	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"531357"	509.384824	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"905520"	169.123424	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"59164"	356.280671	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"497630"	526.411371	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"877619"	186.149971	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"44063"	361.236066	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"480707"	531.366766	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"859602"	191.105366	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1630959"	191.105366	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"105669"	187.111763	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"541948"	272.177113	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"936554"	102.046413	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"279120"	375.230802	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"669720"	545.361502	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1277750"	205.100102	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"19211"	377.210006	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"463146"	547.340706	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"839854"	207.079306	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1568811"	207.079306	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"957059"	215.128894	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"373815"	385.259601	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"358794"	399.275251	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1503251"	229.144551	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"970068"	237.110851	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"118606"	205.100102	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"559265"	290.165452	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1034262"	120.034752	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1249830"	249.049585	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1315562"	251.105572	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1327590"	273.087529	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"923751"	283.116286	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1296450"	319.092964	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1378625"	135.118024	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1388831"	153.128	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"292162"	341.268676	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"688593"	511.399376	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1363484"	171.137976	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"134916"	171.137976	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"575204"	256.203326	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1047286"	86.072626	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"211906"	114.427742666667	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"658030"	171.137976	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1176520"	57.7175093333333	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"436146"	358.295223	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"788394"	528.425923	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1684727"	188.164523	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"334097"	179.6512495	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"731990"	264.7165995	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1486904"	94.5858995	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"407408"	363.250618	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"769743"	533.381318	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1618343"	193.119918	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"329336"	182.128947	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"719325"	267.194297	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1476428"	97.063597	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1064205"	65.0448233333333	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1266981"	203.164186	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"388835"	379.224558	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"752020"	549.355258	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1552976"	209.093858	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"312710"	190.115917	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"704403"	275.181267	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1459677"	105.050567	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"249008"	382.295226	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1219899"	212.164526	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1203781"	106.585901	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"199569"	385.23256	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"640584"	555.36326	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1138625"	215.10186	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"174865"	193.119918	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"616005"	278.185268	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1117931"	108.054568	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1400607"	72.3721373333333	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1431627"	217.143446	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"231413"	198.15294	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1514007"	231.19549	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"416976"	201.106888	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"780889"	286.172238	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1676494"	116.041538	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"258642"	404.277168	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1235725"	234.146468	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1723518"	234.169993	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1180123"	79.6994513333333	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1653296"	239.125388	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"169997"	417.18044	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"600811"	587.31114	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1088602"	247.04974	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"147604"	209.093858	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"587166"	294.159208	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1074960"	124.028508	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1110354"	249.064292	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1340178"	249.151907	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1008710"	253.191076	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1525257"	254.184708	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"991821"	127.099176	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1589982"	255.099328	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1415762"	285.130838	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1153586"	147.612451	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1705323"	302.157385	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1634410"	307.11278	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1574806"	323.08672	"C03092"	"6-endo-Hydroxycineole;2-endo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"815745"	178.0266	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M"	0
"981625"	159.00821	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-H2O-H"	-19.01839
"74243"	117.677124	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M-3H"	-3.021828
"505055"	177.019324	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M-3H"	-3.021828
"887231"	58.334924	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-3H"	-3.021828
"4713"	177.019324	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M-2H"	-2.014552
"447552"	266.032624	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M-2H"	-2.014552
"827543"	88.006024	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-2H"	-2.014552
"87535"	355.045924	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M-H"	-1.007276
"530376"	533.072524	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M-H"	-1.007276
"908545"	177.019324	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-H"	-1.007276
"60367"	372.072471	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M-2H+NH4"	16.019271
"496647"	550.099071	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M-2H+NH4"	16.019271
"876272"	194.045871	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-2H+NH4"	16.019271
"43080"	377.027866	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M-2H+Na"	20.974666
"479724"	555.054466	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M-2H+Na"	20.974666
"862628"	199.001266	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-2H+Na"	20.974666
"1628153"	199.001266	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Na-2H"	20.974666
"104686"	195.007663	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M-H+Cl"	33.962126
"540965"	284.020963	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M-H+Cl"	33.962126
"936664"	105.994363	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-H+Cl"	33.962126
"275221"	391.022602	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+Cl"	34.969402
"669830"	569.049202	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+Cl"	34.969402
"1277860"	212.996002	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Cl"	34.969402
"20415"	393.001806	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M-2H+K"	36.948606
"465443"	571.028406	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M-2H+K"	36.948606
"839964"	214.975206	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-2H+K"	36.948606
"1563456"	214.975206	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+K-2H"	36.948606
"953526"	223.024794	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-H+HCOOH"	44.998194
"368461"	401.051401	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+HCOOH-H"	44.998201
"358906"	415.067051	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+Hac-H"	59.013851
"1502269"	237.040451	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Hac-H"	59.013851
"970911"	245.006751	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-H+NaCOOH"	66.980151
"117623"	212.996002	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+2Cl"	69.938804
"557188"	302.009302	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+2Cl"	69.938804
"1032551"	123.982702	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2Cl"	69.938804
"1248846"	256.945485	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Br"	78.918885
"1317132"	259.001472	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Cl+HCOOH"	80.974872
"1326607"	280.983429	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Cl+NaCOOH"	102.956829
"922769"	291.012186	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M-H+CF3COOH"	112.985586
"1295467"	326.988864	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Cl+CF3COOH"	148.962264
"1376548"	143.013924	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H-2H2O"	-35.012676
"1388941"	161.0239	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H-H2O"	-17.0027
"289720"	357.060476	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+H"	1.007276
"688703"	535.087076	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+H"	1.007276
"1364688"	179.033876	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H"	1.007276
"133933"	179.033876	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+2H"	2.014552
"577868"	268.047176	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+2H"	2.014552
"1044116"	90.020576	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2H"	2.014552
"213840"	119.691676	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+3H"	3.021828
"654861"	179.033876	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+3H"	3.021828
"1171891"	60.349476	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+3H"	3.021828
"431883"	374.087023	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+NH4"	18.033823
"791786"	552.113623	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+NH4"	18.033823
"1681503"	196.060423	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+NH4"	18.033823
"332021"	187.5471495	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+H+NH4"	19.041099
"723349"	276.5604495	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+H+NH4"	19.041099
"1477042"	98.5338495	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H+NH4"	19.041099
"394029"	379.042418	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+Na"	22.989218
"763411"	557.069018	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+Na"	22.989218
"1616977"	201.015818	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Na"	22.989218
"328838"	190.024847	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+H+Na"	23.996494
"719435"	279.038147	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+H+Na"	23.996494
"1474351"	101.011547	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H+Na"	23.996494
"1059941"	67.67679	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2H+Na"	25.00377
"1268184"	211.060086	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+CH3OH+H"	33.033486
"390038"	395.016358	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+K"	38.963158
"753223"	573.042958	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+K"	38.963158
"1554179"	216.989758	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+K"	38.963158
"312455"	198.011817	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+H+K"	39.970434
"702691"	287.025117	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+H+K"	39.970434
"1457600"	108.998517	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H+K"	39.970434
"249119"	398.087026	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+ACN+H"	42.033826
"1221102"	220.060426	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+ACN+H"	42.033826
"1204984"	110.533851	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+ACN+2H"	43.041102
"198948"	401.02436	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+2Na-H"	44.97116
"638506"	579.05096	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+2Na-H"	44.97116
"1138734"	222.99776	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2Na-H"	44.97116
"174732"	201.015818	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+2Na"	45.978436
"615264"	290.029118	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+2Na"	45.978436
"1116948"	112.002518	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2Na"	45.978436
"1400596"	75.004104	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H+2Na"	46.985712
"1429992"	225.039346	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H+HCOOH"	47.012746
"231523"	206.04884	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+3H2O+2H"	56.04448
"1511565"	239.09139	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+IsoProp+H"	61.06479
"419274"	209.002788	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+Na+K"	61.952376
"780270"	298.016088	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+Na+K"	61.952376
"1678791"	119.989488	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Na+K"	61.952376
"257658"	420.068968	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+ACN+Na"	64.015768
"1231462"	242.042368	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+ACN+Na"	64.015768
"1722535"	242.065893	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+NH4+HCOOH"	64.039293
"1180599"	82.331418	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+3Na"	68.967654
"1653406"	247.021288	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Na+HCOOH"	68.994688
"169014"	432.97224	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+2K-H"	76.91904
"600920"	610.99884	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+2K-H"	76.91904
"1087620"	254.94564	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2K-H"	76.91904
"147716"	216.989758	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"2M+2K"	77.926316
"587278"	306.003058	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"3M+2K"	77.926316
"1075071"	127.976458	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2K"	77.926316
"1109371"	256.960192	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2K+H"	78.933592
"1340288"	257.047807	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+DMSO+H"	79.021207
"1008820"	261.086976	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2ACN+H"	83.060376
"1525125"	262.080608	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+IsoProp+Na+H"	84.054008
"990840"	131.047126	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+2ACN+2H"	84.067652
"1590093"	262.995228	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+K+HCOOH"	84.968628
"1417939"	293.026738	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+H+CF3COOH"	115.000138
"1155883"	151.560401	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+3ACN+2H"	125.094202
"1702153"	310.053285	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+NH4+CF3COOH"	132.026685
"1634888"	315.00868	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+Na+CF3COOH"	136.98208
"1578926"	330.98262	"C03093"	"78-Dihydroxycoumarin;Daphnetin"	"C9H6O4"	"178.0266"	"M+K+CF3COOH"	152.95602
"813304"	256.0947	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M"	0
"986113"	237.07631	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-H2O-H"	-19.01839
"71074"	169.722524	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M-3H"	-3.021828
"505168"	255.087424	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M-3H"	-3.021828
"888433"	84.357624	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-3H"	-3.021828
"3730"	255.087424	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M-2H"	-2.014552
"447665"	383.134774	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M-2H"	-2.014552
"822186"	127.040074	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-2H"	-2.014552
"84364"	511.182124	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M-H"	-1.007276
"521738"	767.276824	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M-H"	-1.007276
"905010"	255.087424	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-H"	-1.007276
"60845"	528.208671	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M-2H+NH4"	16.019271
"501378"	784.303371	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M-2H+NH4"	16.019271
"877479"	272.113971	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-2H+NH4"	16.019271
"45742"	533.164066	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M-2H+Na"	20.974666
"484940"	789.258766	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M-2H+Na"	20.974666
"862012"	277.069366	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-2H+Na"	20.974666
"1629361"	277.069366	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Na-2H"	20.974666
"105890"	273.075763	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M-H+Cl"	33.962126
"546540"	401.123113	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M-H+Cl"	33.962126
"931308"	145.028413	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-H+Cl"	33.962126
"277884"	547.158802	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+Cl"	34.969402
"667757"	803.253502	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+Cl"	34.969402
"1279063"	291.064102	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Cl"	34.969402
"22712"	549.138006	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M-2H+K"	36.948606
"462272"	805.232706	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M-2H+K"	36.948606
"837889"	293.043306	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-2H+K"	36.948606
"1560283"	293.043306	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+K-2H"	36.948606
"954363"	301.092894	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-H+HCOOH"	44.998194
"368571"	557.187601	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+HCOOH-H"	44.998201
"356464"	571.203251	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+Hac-H"	59.013851
"1506757"	315.108551	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Hac-H"	59.013851
"972113"	323.074851	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-H+NaCOOH"	66.980151
"117739"	291.064102	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+2Cl"	69.938804
"561675"	419.111452	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+2Cl"	69.938804
"1034487"	163.016752	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2Cl"	69.938804
"1254795"	335.013585	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Br"	78.918885
"1312502"	337.069572	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Cl+HCOOH"	80.974872
"1324530"	359.051529	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Cl+NaCOOH"	102.956829
"923243"	369.080286	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M-H+CF3COOH"	112.985586
"1299953"	405.056964	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Cl+CF3COOH"	148.962264
"1371554"	221.082024	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H-2H2O"	-35.012676
"1389051"	239.092	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H-H2O"	-17.0027
"289830"	513.196676	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+H"	1.007276
"685533"	769.291376	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+H"	1.007276
"1356414"	257.101976	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H"	1.007276
"131491"	257.101976	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+2H"	2.014552
"569958"	385.149326	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+2H"	2.014552
"1038757"	129.054626	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2H"	2.014552
"208847"	171.737076	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+3H"	3.021828
"649501"	257.101976	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+3H"	3.021828
"1164347"	86.372176	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+3H"	3.021828
"425434"	530.223223	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+NH4"	18.033823
"791896"	786.317923	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+NH4"	18.033823
"1687134"	274.128523	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+NH4"	18.033823
"332498"	265.6152495	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+H+NH4"	19.041099
"726742"	393.6625995	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+H+NH4"	19.041099
"1487124"	137.5678995	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H+NH4"	19.041099
"398149"	535.178618	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+Na"	22.989218
"764614"	791.273318	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+Na"	22.989218
"1611620"	279.083918	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Na"	22.989218
"323845"	268.092947	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+H+Na"	23.996494
"715172"	396.140297	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+H+Na"	23.996494
"1472275"	140.045597	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H+Na"	23.996494
"1065521"	93.69949	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2H+Na"	25.00377
"1268294"	289.128186	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+CH3OH+H"	33.033486
"384680"	551.152558	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+K"	38.963158
"753334"	807.247258	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+K"	38.963158
"1554659"	295.057858	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+K"	38.963158
"311469"	276.079917	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+H+K"	39.970434
"703890"	404.127267	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+H+K"	39.970434
"1454429"	148.032567	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H+K"	39.970434
"245218"	554.223226	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+ACN+H"	42.033826
"1220117"	298.128526	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+ACN+H"	42.033826
"1204000"	149.567901	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+ACN+2H"	43.041102
"196873"	557.16056	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+2Na-H"	44.97116
"632058"	813.25526	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+2Na-H"	44.97116
"1133011"	301.06586	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2Na-H"	44.97116
"172870"	279.083918	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+2Na"	45.978436
"612876"	407.131268	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+2Na"	45.978436
"1117302"	151.036568	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2Na"	45.978436
"1405446"	101.026804	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H+2Na"	46.985712
"1437562"	303.107446	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H+HCOOH"	47.012746
"228353"	284.11694	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+3H2O+2H"	56.04448
"1514227"	317.15949	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+IsoProp+H"	61.06479
"423279"	287.070888	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+Na+K"	61.952376
"783663"	415.118238	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+Na+K"	61.952376
"1679634"	159.023538	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Na+K"	61.952376
"261049"	576.205168	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+ACN+Na"	64.015768
"1233757"	320.110468	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+ACN+Na"	64.015768
"1724831"	320.133993	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+NH4+HCOOH"	64.039293
"1181803"	108.354118	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+3Na"	68.967654
"1657891"	325.089388	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Na+HCOOH"	68.994688
"161470"	589.10844	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+2K-H"	76.91904
"602126"	845.20314	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+2K-H"	76.91904
"1087731"	333.01374	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2K-H"	76.91904
"144547"	295.057858	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"2M+2K"	77.926316
"588479"	423.105208	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"3M+2K"	77.926316
"1074083"	167.010508	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2K"	77.926316
"1102918"	335.028292	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2K+H"	78.933592
"1337483"	335.115907	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+DMSO+H"	79.021207
"1007471"	339.155076	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2ACN+H"	83.060376
"1524871"	340.148708	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+IsoProp+Na+H"	84.054008
"990711"	170.081176	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+2ACN+2H"	84.067652
"1592388"	341.063328	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+K+HCOOH"	84.968628
"1416955"	371.094838	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+H+CF3COOH"	115.000138
"1151618"	190.594451	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+3ACN+2H"	125.094202
"1701170"	388.121385	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+NH4+CF3COOH"	132.026685
"1636823"	393.07678	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+Na+CF3COOH"	136.98208
"1579036"	409.05072	"C03097"	"Aryl beta-D-glucoside"	"C12H16O6"	"256.0947"	"M+K+CF3COOH"	152.95602
"805030"	149.0299	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M"	0
"985127"	130.01151	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-H2O-H"	-19.01839
"71184"	98.3459906666667	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M-3H"	-3.021828
"505278"	148.022624	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M-3H"	-3.021828
"885263"	48.6693573333333	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-3H"	-3.021828
"1653"	148.022624	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M-2H"	-2.014552
"444495"	222.537574	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M-2H"	-2.014552
"822296"	73.507674	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-2H"	-2.014552
"84474"	297.052524	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M-H"	-1.007276
"525128"	446.082424	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M-H"	-1.007276
"905117"	148.022624	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-H"	-1.007276
"57307"	314.079071	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M-2H+NH4"	16.019271
"500032"	463.108971	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M-2H+NH4"	16.019271
"876496"	165.049171	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-2H+NH4"	16.019271
"43666"	319.034466	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M-2H+Na"	20.974666
"484321"	468.064366	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M-2H+Na"	20.974666
"861030"	170.004566	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-2H+Na"	20.974666
"1626189"	170.004566	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Na-2H"	20.974666
"104906"	166.010963	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M-H+Cl"	33.962126
"546286"	240.525913	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M-H+Cl"	33.962126
"931418"	91.496013	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-H+Cl"	33.962126
"275440"	333.029202	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+Cl"	34.969402
"670052"	482.059102	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+Cl"	34.969402
"1279902"	183.999302	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Cl"	34.969402
"22822"	335.008406	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M-2H+K"	36.948606
"462382"	484.038306	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M-2H+K"	36.948606
"837998"	185.978506	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-2H+K"	36.948606
"1564766"	185.978506	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+K-2H"	36.948606
"953744"	194.028094	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-H+HCOOH"	44.998194
"371961"	343.058001	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+HCOOH-H"	44.998201
"359126"	357.073651	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+Hac-H"	59.013851
"1506139"	208.043751	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Hac-H"	59.013851
"972955"	216.010051	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-H+NaCOOH"	66.980151
"116755"	183.999302	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+2Cl"	69.938804
"559598"	258.514252	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+2Cl"	69.938804
"1032772"	109.484352	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2Cl"	69.938804
"1253446"	227.948785	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Br"	78.918885
"1313705"	230.004772	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Cl+HCOOH"	80.974872
"1324640"	251.986729	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Cl+NaCOOH"	102.956829
"923353"	262.015486	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M-H+CF3COOH"	112.985586
"1300063"	297.992164	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Cl+CF3COOH"	148.962264
"1369477"	114.017224	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H-2H2O"	-35.012676
"1389161"	132.0272	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H-H2O"	-17.0027
"289940"	299.067076	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+H"	1.007276
"688923"	448.096976	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+H"	1.007276
"1362720"	150.037176	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H"	1.007276
"133788"	150.037176	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+2H"	2.014552
"576628"	224.552126	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+2H"	2.014552
"1043241"	75.522226	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2H"	2.014552
"211144"	100.360542666667	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+3H"	3.021828
"655078"	150.037176	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+3H"	3.021828
"1163848"	50.6839093333333	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+3H"	3.021828
"424935"	316.093623	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+NH4"	18.033823
"790912"	465.123523	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+NH4"	18.033823
"1682870"	167.063723	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+NH4"	18.033823
"331148"	158.5504495	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+H+NH4"	19.041099
"724542"	233.0653995	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+H+NH4"	19.041099
"1487233"	84.0354995	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H+NH4"	19.041099
"397166"	321.049018	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+Na"	22.989218
"769100"	470.078918	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+Na"	22.989218
"1613916"	172.019118	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Na"	22.989218
"326141"	161.028147	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+H+Na"	23.996494
"717469"	235.543097	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+H+Na"	23.996494
"1472385"	86.513197	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H+Na"	23.996494
"1062351"	58.0112233333333	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2H+Na"	25.00377
"1269498"	182.063386	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+CH3OH+H"	33.033486
"383697"	337.022958	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+K"	38.963158
"753323"	486.052858	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+K"	38.963158
"1554770"	187.993058	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+K"	38.963158
"311579"	169.015117	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+H+K"	39.970434
"704000"	243.530067	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+H+K"	39.970434
"1457820"	94.500167	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H+K"	39.970434
"245329"	340.093626	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+ACN+H"	42.033826
"1220956"	191.063726	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+ACN+H"	42.033826
"1201921"	96.035501	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+ACN+2H"	43.041102
"196983"	343.03096	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+2Na-H"	44.97116
"632168"	492.06086	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+2Na-H"	44.97116
"1133000"	194.00106	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2Na-H"	44.97116
"173014"	172.019118	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+2Na"	45.978436
"612839"	246.534068	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+2Na"	45.978436
"1117292"	97.504168	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2Na"	45.978436
"1404097"	65.3385373333333	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H+2Na"	46.985712
"1439859"	196.042646	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H+HCOOH"	47.012746
"230650"	177.05214	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+3H2O+2H"	56.04448
"1512514"	210.09469	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+IsoProp+H"	61.06479
"420225"	180.006088	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+Na+K"	61.952376
"784503"	254.521038	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+Na+K"	61.952376
"1676830"	105.491138	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Na+K"	61.952376
"263347"	362.075568	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+ACN+Na"	64.015768
"1237147"	213.045668	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+ACN+Na"	64.015768
"1723847"	213.069193	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+NH4+HCOOH"	64.039293
"1185922"	72.6658513333333	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+3Na"	68.967654
"1654721"	218.024588	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Na+HCOOH"	68.994688
"165954"	374.97884	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+2K-H"	76.91904
"602236"	524.00874	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+2K-H"	76.91904
"1090028"	225.94894	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2K-H"	76.91904
"143563"	187.993058	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"2M+2K"	77.926316
"586401"	262.508008	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"3M+2K"	77.926316
"1070915"	113.478108	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2K"	77.926316
"1104122"	227.963492	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2K+H"	78.933592
"1337593"	228.051107	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+DMSO+H"	79.021207
"1007945"	232.090276	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2ACN+H"	83.060376
"1524610"	233.083908	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+IsoProp+Na+H"	84.054008
"990574"	116.548776	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+2ACN+2H"	84.067652
"1587273"	233.998528	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+K+HCOOH"	84.968628
"1414755"	264.030038	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+H+CF3COOH"	115.000138
"1150634"	137.062051	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+3ACN+2H"	125.094202
"1700186"	281.056585	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+NH4+CF3COOH"	132.026685
"1636933"	286.01198	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+Na+CF3COOH"	136.98208
"1579146"	301.98592	"C03098"	"Benzyl isothiocyanate"	"C8H7NS"	"149.0299"	"M+K+CF3COOH"	152.95602
"816810"	323.0519	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M"	0
"989823"	304.03351	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-H2O-H"	-19.01839
"76761"	214.360657333333	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M-3H"	-3.021828
"514134"	322.044624	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M-3H"	-3.021828
"891937"	106.676690666667	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-3H"	-3.021828
"13791"	322.044624	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H"	-2.014552
"447883"	483.570574	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H"	-2.014552
"830060"	160.518674	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-2H"	-2.014552
"82399"	645.096524	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M-H"	-1.007276
"528520"	968.148424	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M-H"	-1.007276
"909364"	322.044624	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-H"	-1.007276
"61431"	662.123071	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H+NH4"	16.019271
"496978"	985.174971	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H+NH4"	16.019271
"875872"	339.071171	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-2H+NH4"	16.019271
"43775"	667.078466	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H+Na"	20.974666
"482608"	990.130366	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H+Na"	20.974666
"862962"	344.026566	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-2H+Na"	20.974666
"1626298"	344.026566	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Na-2H"	20.974666
"106110"	340.032963	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M-H+Cl"	33.962126
"542386"	501.558913	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M-H+Cl"	33.962126
"935902"	178.507013	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-H+Cl"	33.962126
"273367"	681.073202	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+Cl"	34.969402
"667976"	1004.125102	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+Cl"	34.969402
"1280378"	358.021302	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl"	34.969402
"22936"	683.052406	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H+K"	36.948606
"464681"	1006.104306	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H+K"	36.948606
"840298"	360.000506	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-2H+K"	36.948606
"1565973"	360.000506	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+K-2H"	36.948606
"951669"	368.050094	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-H+HCOOH"	44.998194
"372073"	691.102001	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+HCOOH-H"	44.998201
"354859"	705.117651	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+Hac-H"	59.013851
"1498226"	382.065751	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Hac-H"	59.013851
"964676"	390.032051	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-H+NaCOOH"	66.980151
"117960"	358.021302	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+2Cl"	69.938804
"556427"	519.547252	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+2Cl"	69.938804
"1030698"	196.495352	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2Cl"	69.938804
"1250274"	401.970785	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Br"	78.918885
"1310535"	404.026772	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl+HCOOH"	80.974872
"1329126"	426.008729	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl+NaCOOH"	102.956829
"925286"	436.037486	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M-H+CF3COOH"	112.985586
"1296894"	472.014164	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl+CF3COOH"	148.962264
"1379429"	288.039224	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H-2H2O"	-35.012676
"1390363"	306.0492	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H-H2O"	-17.0027
"295518"	647.111076	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+H"	1.007276
"689033"	970.162976	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+H"	1.007276
"1359915"	324.059176	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H"	1.007276
"130617"	324.059176	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+2H"	2.014552
"572365"	485.585126	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+2H"	2.014552
"1038977"	162.533226	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2H"	2.014552
"211255"	216.375209333333	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+3H"	3.021828
"645712"	324.059176	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+3H"	3.021828
"1163837"	108.691242666667	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+3H"	3.021828
"424291"	664.137623	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+NH4"	18.033823
"785706"	987.189523	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+NH4"	18.033823
"1682250"	341.085723	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+NH4"	18.033823
"333446"	332.5724495	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+H+NH4"	19.041099
"725139"	494.0983995	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+H+NH4"	19.041099
"1488436"	171.0464995	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H+NH4"	19.041099
"398369"	669.093018	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+Na"	22.989218
"762645"	992.144918	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+Na"	22.989218
"1611838"	346.041118	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Na"	22.989218
"325160"	335.050147	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+H+Na"	23.996494
"721349"	496.576097	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+H+Na"	23.996494
"1471402"	173.524197	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H+Na"	23.996494
"1064646"	116.018556666667	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2H+Na"	25.00377
"1267419"	356.085386	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+CH3OH+H"	33.033486
"385995"	685.066958	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+K"	38.963158
"751365"	1008.118858	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+K"	38.963158
"1551233"	362.015058	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+K"	38.963158
"313756"	343.037117	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+H+K"	39.970434
"705207"	504.563067	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+H+K"	39.970434
"1457203"	181.511167	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H+K"	39.970434
"248357"	688.137626	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+ACN+H"	42.033826
"1220334"	365.085726	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+ACN+H"	42.033826
"1203125"	183.046501	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+ACN+2H"	43.041102
"195997"	691.07496	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+2Na-H"	44.97116
"629106"	1014.12686	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+2Na-H"	44.97116
"1131639"	368.02306	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2Na-H"	44.97116
"173605"	346.041118	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+2Na"	45.978436
"613890"	507.567068	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+2Na"	45.978436
"1117038"	184.515168	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2Na"	45.978436
"1403478"	123.345870666667	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H+2Na"	46.985712
"1440701"	370.064646	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H+HCOOH"	47.012746
"230397"	351.07414	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+3H2O+2H"	56.04448
"1522351"	384.11669	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+IsoProp+H"	61.06479
"423702"	354.028088	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+Na+K"	61.952376
"784736"	515.554038	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+Na+K"	61.952376
"1676932"	192.502138	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Na+K"	61.952376
"262361"	710.119568	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+ACN+Na"	64.015768
"1236164"	387.067668	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+ACN+Na"	64.015768
"1725051"	387.091193	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+NH4+HCOOH"	64.039293
"1193321"	130.673184666667	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+3Na"	68.967654
"1660296"	392.046588	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Na+HCOOH"	68.994688
"159505"	723.02284	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+2K-H"	76.91904
"603439"	1046.07474	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+2K-H"	76.91904
"1088318"	399.97094	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2K-H"	76.91904
"149143"	362.015058	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"2M+2K"	77.926316
"587611"	523.541008	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"3M+2K"	77.926316
"1076497"	200.489108	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2K"	77.926316
"1103144"	401.985492	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2K+H"	78.933592
"1342807"	402.073107	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+DMSO+H"	79.021207
"1012439"	406.112276	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2ACN+H"	83.060376
"1531659"	407.105908	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+IsoProp+Na+H"	84.054008
"1000294"	203.559776	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+2ACN+2H"	84.067652
"1598078"	408.020528	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+K+HCOOH"	84.968628
"1428841"	438.052038	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+H+CF3COOH"	115.000138
"1152933"	224.073051	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+3ACN+2H"	125.094202
"1702483"	455.078585	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+NH4+CF3COOH"	132.026685
"1643608"	460.03398	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+Na+CF3COOH"	136.98208
"1581446"	476.00792	"C03104"	"Cytidine 2-phosphate;2-Cytidylic acid;Cytidine 2-monophosphate"	"C9H14N3O8P"	"323.0519"	"M+K+CF3COOH"	152.95602
"808535"	178.0477	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M"	0
"978787"	159.02931	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"68123"	117.691190666667	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"507682"	177.040424	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"881110"	58.3419573333333	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"2238"	177.040424	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"441798"	266.064274	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"825796"	88.016574	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"87975"	355.088124	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"524254"	533.135824	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"904245"	177.040424	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"55341"	372.114671	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"492713"	550.162371	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"874163"	194.066971	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"43522"	377.070066	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"483446"	555.117766	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"859060"	199.022366	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1626409"	199.022366	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"100751"	195.028763	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"543589"	284.052613	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"938564"	106.004913	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"272380"	391.064802	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"669178"	569.112502	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1279394"	213.017102	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"25960"	393.044006	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"462605"	571.091706	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"841501"	214.996306	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1562798"	214.996306	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"947399"	223.045894	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"367804"	401.093601	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"349140"	415.109251	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1496515"	237.061551	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"963693"	245.027851	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"119161"	213.017102	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"556535"	302.040952	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1029711"	123.993252	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1246009"	256.966585	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1310645"	259.022572	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1323768"	281.004529	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"918104"	291.033286	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1295176"	327.009964	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1372974"	143.035024	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1390469"	161.045	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"287242"	357.102676	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"679300"	535.150376	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1354555"	179.054976	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"128902"	179.054976	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"572473"	268.078826	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1038235"	90.031126	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"204923"	119.705742666667	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"644363"	179.054976	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1163214"	60.3565093333333	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"424374"	374.129223	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"785982"	552.176923	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1682236"	196.081523	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"330636"	187.5682495	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"732541"	276.5920995	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1491467"	98.5443995	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"400668"	379.084618	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"762757"	557.132318	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1609763"	201.036918	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"317614"	190.045947	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"715502"	279.069797	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1470418"	101.022097	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1060384"	67.6838233333333	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1263159"	211.081186	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"386105"	395.058558	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"746006"	573.106258	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1549155"	217.010858	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"305238"	198.032917	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"702033"	287.056767	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1455854"	109.009067	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"240082"	398.129226	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1210847"	220.081526	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1195210"	110.544401	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"190022"	401.06656	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"628977"	579.11426	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1133094"	223.01886	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"174932"	201.036918	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"615099"	290.060768	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1124440"	112.013068	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1413201"	75.0111373333333	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1443853"	225.060446	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"234281"	206.06994	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1520032"	239.11249	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"420811"	209.023888	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"783629"	298.047738	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1675952"	120.000038	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"265386"	420.111168	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1239552"	242.063468	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1722973"	242.086993	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1191607"	82.3384513333333	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1661500"	247.042388	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"165081"	433.01444	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"603549"	611.06214	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1086968"	254.96674	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"145972"	217.010858	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"584437"	306.034708	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1072957"	127.987008	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1103260"	256.981292	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1337456"	257.068907	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1008172"	261.108076	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1525204"	262.101708	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"992748"	131.057676	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1589439"	263.016328	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1418383"	293.047838	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1158516"	151.570951	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1703693"	310.074385	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1640440"	315.02978	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1572810"	331.00372	"C03107"	"D-Glucono-14-lactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"808645"	461.3353	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M"	0
"978897"	442.31691	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H2O-H"	-19.01839
"69325"	306.549590666667	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-3H"	-3.021828
"504512"	460.328024	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-3H"	-3.021828
"882314"	152.771157333333	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-3H"	-3.021828
"4170"	460.328024	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H"	-2.014552
"441907"	690.995674	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H"	-2.014552
"822626"	229.660374	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H"	-2.014552
"84806"	921.663324	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-H"	-1.007276
"524365"	1382.998624	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-H"	-1.007276
"905448"	460.328024	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H"	-1.007276
"55451"	938.689871	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H+NH4"	16.019271
"496103"	1400.025171	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H+NH4"	16.019271
"876460"	477.354571	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H+NH4"	16.019271
"43633"	943.645266	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H+Na"	20.974666
"482827"	1404.980566	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H+Na"	20.974666
"859902"	482.309966	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H+Na"	20.974666
"1631258"	482.309966	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na-2H"	20.974666
"105233"	478.316363	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-H+Cl"	33.962126
"546253"	708.984013	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-H+Cl"	33.962126
"942282"	247.648713	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+Cl"	33.962126
"278324"	957.640002	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Cl"	34.969402
"667100"	1418.975302	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+Cl"	34.969402
"1278411"	496.304702	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl"	34.969402
"22062"	959.619206	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M-2H+K"	36.948606
"463810"	1420.954506	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M-2H+K"	36.948606
"840517"	498.283906	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-2H+K"	36.948606
"1561816"	498.283906	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K-2H"	36.948606
"948602"	506.333494	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+HCOOH"	44.998194
"366821"	967.668801	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+HCOOH-H"	44.998201
"350709"	981.684451	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Hac-H"	59.013851
"1497355"	520.349151	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Hac-H"	59.013851
"965990"	528.315451	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+NaCOOH"	66.980151
"115993"	496.304702	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2Cl"	69.938804
"556646"	726.972352	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2Cl"	69.938804
"1032739"	265.637052	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2Cl"	69.938804
"1250493"	540.254185	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Br"	78.918885
"1317315"	542.310172	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl+HCOOH"	80.974872
"1333718"	564.292129	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl+NaCOOH"	102.956829
"922589"	574.320886	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M-H+CF3COOH"	112.985586
"1298204"	610.297564	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Cl+CF3COOH"	148.962264
"1376365"	426.322624	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H-2H2O"	-35.012676
"1396049"	444.3326	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H-H2O"	-17.0027
"290269"	923.677876	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H"	1.007276
"679412"	1385.013176	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H"	1.007276
"1354668"	462.342576	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H"	1.007276
"130836"	462.342576	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2H"	2.014552
"575864"	693.010226	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2H"	2.014552
"1043571"	231.674926	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2H"	2.014552
"208194"	308.564142666667	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+3H"	3.021828
"645081"	462.342576	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+3H"	3.021828
"1163204"	154.785709333333	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+3H"	3.021828
"424449"	940.704423	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+NH4"	18.033823
"787960"	1402.039723	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+NH4"	18.033823
"1684291"	479.369123	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+NH4"	18.033823
"330745"	470.8558495	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H+NH4"	19.041099
"732651"	701.5234995	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H+NH4"	19.041099
"1492433"	240.1881995	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+NH4"	19.041099
"401871"	945.659818	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Na"	22.989218
"766148"	1406.995118	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+Na"	22.989218
"1612060"	484.324518	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na"	22.989218
"324285"	473.333547	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H+Na"	23.996494
"717799"	704.001197	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H+Na"	23.996494
"1470528"	242.665897	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+Na"	23.996494
"1061588"	162.113023333333	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2H+Na"	25.00377
"1259989"	494.368786	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+CH3OH+H"	33.033486
"386215"	961.633758	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+K"	38.963158
"746117"	1422.969058	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+K"	38.963158
"1544892"	500.298458	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K"	38.963158
"306442"	481.320517	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+H+K"	39.970434
"696678"	711.988167	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+H+K"	39.970434
"1451589"	250.652867	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+K"	39.970434
"236543"	964.704426	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+ACN+H"	42.033826
"1210465"	503.369126	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+ACN+H"	42.033826
"1195194"	252.188201	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+ACN+2H"	43.041102
"189037"	967.64176	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2Na-H"	44.97116
"628764"	1428.97706	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2Na-H"	44.97116
"1132841"	506.30646	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2Na-H"	44.97116
"177107"	484.324518	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2Na"	45.978436
"614233"	714.992168	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2Na"	45.978436
"1124550"	253.656868	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2Na"	45.978436
"1413792"	169.440337333333	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+2Na"	46.985712
"1443840"	508.348046	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+HCOOH"	47.012746
"235240"	489.35754	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+3H2O+2H"	56.04448
"1520507"	522.40009	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+IsoProp+H"	61.06479
"422746"	492.311488	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+Na+K"	61.952376
"783012"	722.979138	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+Na+K"	61.952376
"1678981"	261.643838	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na+K"	61.952376
"267080"	986.686368	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+ACN+Na"	64.015768
"1240393"	525.351068	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+ACN+Na"	64.015768
"1724178"	525.374593	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+NH4+HCOOH"	64.039293
"1192086"	176.767651333333	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+3Na"	68.967654
"1661610"	530.329988	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na+HCOOH"	68.994688
"161911"	999.58964	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2K-H"	76.91904
"603659"	1460.92494	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2K-H"	76.91904
"1089264"	538.25434	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2K-H"	76.91904
"152643"	500.298458	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"2M+2K"	77.926316
"590015"	730.966108	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"3M+2K"	77.926316
"1074528"	269.630808	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2K"	77.926316
"1101057"	540.268892	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2K+H"	78.933592
"1337687"	540.356507	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+DMSO+H"	79.021207
"1006091"	544.395676	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2ACN+H"	83.060376
"1525677"	545.389308	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+IsoProp+Na+H"	84.054008
"993951"	272.701476	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+2ACN+2H"	84.067652
"1587846"	546.303928	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K+HCOOH"	84.968628
"1418493"	576.335438	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+H+CF3COOH"	115.000138
"1155344"	293.214751	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+3ACN+2H"	125.094202
"1701616"	593.361985	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+NH4+CF3COOH"	132.026685
"1640549"	598.31738	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+Na+CF3COOH"	136.98208
"1572190"	614.29132	"C03108"	"D-Glucosylsphingosine"	"C24H47NO7"	"461.3353"	"M+K+CF3COOH"	152.95602
"808755"	200.0086	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M"	0
"980100"	180.99021	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H2O-H"	-19.01839
"67248"	132.331790666667	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-3H"	-3.021828
"507902"	199.001324	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-3H"	-3.021828
"883517"	65.6622573333333	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-3H"	-3.021828
"430"	199.001324	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H"	-2.014552
"442746"	299.005624	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H"	-2.014552
"823100"	98.997024	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H"	-2.014552
"84917"	399.009924	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H"	-1.007276
"525569"	599.018524	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H"	-1.007276
"903370"	199.001324	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H"	-1.007276
"55561"	416.036471	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+NH4"	16.019271
"498401"	616.045071	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+NH4"	16.019271
"878757"	216.027871	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+NH4"	16.019271
"44107"	420.991866	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+Na"	20.974666
"484031"	621.000466	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+Na"	20.974666
"861105"	220.983266	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+Na"	20.974666
"1631368"	220.983266	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na-2H"	20.974666
"108625"	216.989663	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H+Cl"	33.962126
"548186"	316.993963	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H+Cl"	33.962126
"942069"	116.985363	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+Cl"	33.962126
"282163"	434.986602	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Cl"	34.969402
"671949"	634.995202	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Cl"	34.969402
"1285083"	234.978002	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl"	34.969402
"18893"	436.965806	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+K"	36.948606
"461734"	636.974406	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+K"	36.948606
"837348"	236.957206	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+K"	36.948606
"1558645"	236.957206	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K-2H"	36.948606
"949807"	245.006794	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+HCOOH"	44.998194
"365837"	445.015401	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+HCOOH-H"	44.998201
"354099"	459.031051	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Hac-H"	59.013851
"1496372"	259.022451	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Hac-H"	59.013851
"966100"	266.988751	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+NaCOOH"	66.980151
"115010"	234.978002	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Cl"	69.938804
"555663"	334.982302	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Cl"	69.938804
"1031026"	134.973702	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Cl"	69.938804
"1247323"	278.927485	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Br"	78.918885
"1314145"	280.983472	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+HCOOH"	80.974872
"1330548"	302.965429	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+NaCOOH"	102.956829
"919419"	312.994186	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+CF3COOH"	112.985586
"1291753"	348.970864	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+CF3COOH"	148.962264
"1373196"	164.995924	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-2H2O"	-35.012676
"1390692"	183.0059	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-H2O"	-17.0027
"296573"	401.024476	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H"	1.007276
"677334"	601.033076	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H"	1.007276
"1353685"	201.015876	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H"	1.007276
"128030"	201.015876	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2H"	2.014552
"568320"	301.020176	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2H"	2.014552
"1040765"	101.011576	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H"	2.014552
"209397"	134.346342666667	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H"	3.021828
"646042"	201.015876	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+3H"	3.021828
"1164895"	67.6768093333333	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3H"	3.021828
"424523"	418.051023	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+NH4"	18.033823
"786004"	618.059623	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+NH4"	18.033823
"1685495"	218.042423	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4"	18.033823
"330857"	209.5291495	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+NH4"	19.041099
"730575"	309.5334495	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+NH4"	19.041099
"1490958"	109.5248495	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+NH4"	19.041099
"401981"	423.006418	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na"	22.989218
"762978"	623.015018	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na"	22.989218
"1608890"	222.997818	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na"	22.989218
"325489"	212.006847	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+Na"	23.996494
"715722"	312.011147	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+Na"	23.996494
"1469544"	112.002547	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+Na"	23.996494
"1061698"	75.0041233333333	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H+Na"	25.00377
"1259368"	233.042086	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+CH3OH+H"	33.033486
"381223"	438.980358	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+K"	38.963158
"745134"	638.988958	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+K"	38.963158
"1546096"	238.971758	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K"	38.963158
"306551"	219.993817	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+K"	39.970434
"698974"	319.998117	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+K"	39.970434
"1452793"	119.989517	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+K"	39.970434
"237383"	442.051026	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+H"	42.033826
"1210821"	242.042426	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+H"	42.033826
"1194332"	121.524851	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+2H"	43.041102
"188777"	444.98836	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na-H"	44.97116
"628535"	644.99696	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na-H"	44.97116
"1131371"	244.97976	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na-H"	44.97116
"177581"	222.997818	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na"	45.978436
"614224"	323.002118	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na"	45.978436
"1122475"	122.993518	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na"	45.978436
"1414139"	82.3314373333333	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+2Na"	46.985712
"1443586"	247.021346	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+HCOOH"	47.012746
"235066"	228.03084	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H2O+2H"	56.04448
"1523533"	261.07339	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+H"	61.06479
"422491"	230.984788	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na+K"	61.952376
"783120"	330.989088	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na+K"	61.952376
"1681033"	130.980488	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+K"	61.952376
"267020"	464.032968	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+Na"	64.015768
"1240750"	264.024368	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+Na"	64.015768
"1724286"	264.047893	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+HCOOH"	64.039293
"1191828"	89.6587513333333	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3Na"	68.967654
"1662814"	269.003288	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+HCOOH"	68.994688
"165301"	476.93624	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K-H"	76.91904
"600489"	676.94484	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K-H"	76.91904
"1089376"	276.92764	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K-H"	76.91904
"152753"	238.971758	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K"	77.926316
"590126"	338.976058	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K"	77.926316
"1071721"	138.967458	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K"	77.926316
"1102012"	278.942192	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K+H"	78.933592
"1338769"	279.029807	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+DMSO+H"	79.021207
"1005878"	283.068976	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+H"	83.060376
"1524446"	284.062608	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+Na+H"	84.054008
"995155"	142.038126	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+2H"	84.067652
"1589658"	284.977228	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+HCOOH"	84.968628
"1418603"	315.008738	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+CF3COOH"	115.000138
"1148160"	162.551401	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3ACN+2H"	125.094202
"1701726"	332.035285	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+CF3COOH"	132.026685
"1641752"	336.99068	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+CF3COOH"	136.98208
"1573029"	352.96462	"C03109"	"D-Threose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+CF3COOH"	152.95602
"808865"	373.0944	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M"	0
"985678"	354.07601	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-H2O-H"	-19.01839
"68453"	247.722324	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M-3H"	-3.021828
"504125"	372.087124	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M-3H"	-3.021828
"886909"	123.357524	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-3H"	-3.021828
"94"	372.087124	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M-2H"	-2.014552
"447231"	558.634324	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M-2H"	-2.014552
"822847"	185.539924	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-2H"	-2.014552
"88308"	745.181524	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M-H"	-1.007276
"528960"	1118.275924	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M-H"	-1.007276
"900200"	372.087124	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-H"	-1.007276
"57129"	762.208071	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M-2H+NH4"	16.019271
"497419"	1135.302471	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M-2H+NH4"	16.019271
"877773"	389.113671	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-2H+NH4"	16.019271
"44580"	767.163466	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M-2H+Na"	20.974666
"484143"	1140.257866	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M-2H+Na"	20.974666
"859026"	394.069066	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-2H+Na"	20.974666
"1631478"	394.069066	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Na-2H"	20.974666
"106183"	390.075463	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M-H+Cl"	33.962126
"547932"	576.622663	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M-H+Cl"	33.962126
"940719"	203.528263	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-H+Cl"	33.962126
"281586"	781.158202	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+Cl"	34.969402
"670600"	1154.252602	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+Cl"	34.969402
"1280819"	408.063802	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Cl"	34.969402
"19367"	783.137406	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M-2H+K"	36.948606
"461842"	1156.231806	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M-2H+K"	36.948606
"837458"	410.043006	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-2H+K"	36.948606
"1565311"	410.043006	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+K-2H"	36.948606
"947737"	418.092594	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-H+HCOOH"	44.998194
"371422"	791.187001	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+HCOOH-H"	44.998201
"357494"	805.202651	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+Hac-H"	59.013851
"1501951"	432.108251	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Hac-H"	59.013851
"964026"	440.074551	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-H+NaCOOH"	66.980151
"116213"	408.063802	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+2Cl"	69.938804
"553588"	594.611002	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+2Cl"	69.938804
"1026761"	221.516602	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2Cl"	69.938804
"1250713"	452.013285	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Br"	78.918885
"1305873"	454.069272	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Cl+HCOOH"	80.974872
"1322638"	476.051229	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Cl+NaCOOH"	102.956829
"920621"	486.079986	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M-H+CF3COOH"	112.985586
"1296237"	522.056664	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Cl+CF3COOH"	148.962264
"1370390"	338.081724	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H-2H2O"	-35.012676
"1390802"	356.0917	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H-H2O"	-17.0027
"293768"	747.196076	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+H"	1.007276
"678537"	1120.290476	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+H"	1.007276
"1358167"	374.101676	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H"	1.007276
"131055"	374.101676	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+2H"	2.014552
"570618"	560.648876	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+2H"	2.014552
"1045979"	187.554476	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2H"	2.014552
"209509"	249.736876	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+3H"	3.021828
"647973"	374.101676	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+3H"	3.021828
"1168286"	125.372076	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+3H"	3.021828
"424633"	764.222623	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+NH4"	18.033823
"787087"	1137.317023	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+NH4"	18.033823
"1687791"	391.128223	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+NH4"	18.033823
"330479"	382.6149495	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+H+NH4"	19.041099
"729592"	569.1621495	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+H+NH4"	19.041099
"1491798"	196.0677495	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H+NH4"	19.041099
"403187"	769.178018	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+Na"	22.989218
"761995"	1142.272418	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+Na"	22.989218
"1609000"	396.083618	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Na"	22.989218
"319036"	385.092647	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+H+Na"	23.996494
"714739"	571.639847	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+H+Na"	23.996494
"1469654"	198.545447	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H+Na"	23.996494
"1062903"	132.69939	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2H+Na"	25.00377
"1263488"	406.127886	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+CH3OH+H"	33.033486
"382063"	785.151958	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+K"	38.963158
"743058"	1158.246358	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+K"	38.963158
"1545115"	412.057558	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+K"	38.963158
"303381"	393.079617	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+H+K"	39.970434
"702364"	579.626817	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+H+K"	39.970434
"1448530"	206.532417	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H+K"	39.970434
"235992"	788.222626	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+ACN+H"	42.033826
"1210237"	415.128226	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+ACN+H"	42.033826
"1194641"	208.067751	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+ACN+2H"	43.041102
"188808"	791.15996	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+2Na-H"	44.97116
"629546"	1164.25436	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+2Na-H"	44.97116
"1131606"	418.06556	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2Na-H"	44.97116
"173073"	396.083618	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+2Na"	45.978436
"614336"	582.630818	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+2Na"	45.978436
"1129149"	209.536418	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2Na"	45.978436
"1411945"	140.026704	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H+2Na"	46.985712
"1442604"	420.107146	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H+HCOOH"	47.012746
"225740"	401.11664	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+3H2O+2H"	56.04448
"1517811"	434.15919	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+IsoProp+H"	61.06479
"421507"	404.070588	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+Na+K"	61.952376
"782867"	590.617788	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+Na+K"	61.952376
"1678469"	217.523388	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Na+K"	61.952376
"265716"	810.204568	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+ACN+Na"	64.015768
"1236602"	437.110168	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+ACN+Na"	64.015768
"1725489"	437.133693	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+NH4+HCOOH"	64.039293
"1189751"	147.354018	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+3Na"	68.967654
"1653082"	442.089088	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Na+HCOOH"	68.994688
"161038"	823.10784	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+2K-H"	76.91904
"599138"	1196.20224	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+2K-H"	76.91904
"1086203"	450.01344	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2K-H"	76.91904
"143021"	412.057558	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"2M+2K"	77.926316
"584036"	598.604758	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"3M+2K"	77.926316
"1068793"	225.510358	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2K"	77.926316
"1103589"	452.027992	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2K+H"	78.933592
"1338881"	452.115607	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+DMSO+H"	79.021207
"1008503"	456.154776	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2ACN+H"	83.060376
"1527720"	457.148408	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+IsoProp+Na+H"	84.054008
"997452"	228.581026	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+2ACN+2H"	84.067652
"1594148"	458.063028	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+K+HCOOH"	84.968628
"1419078"	488.094538	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+H+CF3COOH"	115.000138
"1152285"	249.094301	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+3ACN+2H"	125.094202
"1698556"	505.121085	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+NH4+CF3COOH"	132.026685
"1639676"	510.07648	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+Na+CF3COOH"	136.98208
"1573139"	526.05042	"C03112"	"Deacetylcephalosporin C"	"C14H19N3O7S"	"373.0944"	"M+K+CF3COOH"	152.95602
"815536"	182.0708	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M"	0
"982507"	163.05241	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-H2O-H"	-19.01839
"77190"	120.373257333333	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M-3H"	-3.021828
"516872"	181.063524	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M-3H"	-3.021828
"895007"	59.6829906666667	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-3H"	-3.021828
"12883"	181.063524	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M-2H"	-2.014552
"451351"	272.098924	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M-2H"	-2.014552
"832196"	90.028124	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-2H"	-2.014552
"94012"	363.134324	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M-H"	-1.007276
"533937"	545.205124	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M-H"	-1.007276
"906871"	181.063524	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-H"	-1.007276
"60155"	380.160871	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M-2H+NH4"	16.019271
"501056"	562.231671	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M-2H+NH4"	16.019271
"879588"	198.090071	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-2H+NH4"	16.019271
"46966"	385.116266	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M-2H+Na"	20.974666
"486568"	567.187066	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M-2H+Na"	20.974666
"863639"	203.045466	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-2H+Na"	20.974666
"1632323"	203.045466	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Na-2H"	20.974666
"108361"	199.051863	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M-H+Cl"	33.962126
"549623"	290.087263	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M-H+Cl"	33.962126
"942169"	108.016463	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-H+Cl"	33.962126
"282551"	399.111002	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+Cl"	34.969402
"674603"	581.181802	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+Cl"	34.969402
"1283116"	217.040202	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Cl"	34.969402
"22394"	401.090206	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M-2H+K"	36.948606
"463046"	583.161006	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M-2H+K"	36.948606
"838662"	219.019406	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-2H+K"	36.948606
"1566515"	219.019406	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+K-2H"	36.948606
"951128"	227.068994	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-H+HCOOH"	44.998194
"367156"	409.139801	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+HCOOH-H"	44.998201
"360400"	423.155451	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+Hac-H"	59.013851
"1505342"	241.084651	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Hac-H"	59.013851
"971426"	249.050951	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-H+NaCOOH"	66.980151
"120332"	217.040202	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+2Cl"	69.938804
"561353"	308.075602	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+2Cl"	69.938804
"1030154"	126.004802	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2Cl"	69.938804
"1252284"	260.989685	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Br"	78.918885
"1311085"	263.045672	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Cl+HCOOH"	80.974872
"1325300"	285.027629	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Cl+NaCOOH"	102.956829
"921826"	295.056386	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M-H+CF3COOH"	112.985586
"1292340"	331.033064	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Cl+CF3COOH"	148.962264
"1377790"	147.058124	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H-2H2O"	-35.012676
"1387632"	165.0681	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H-H2O"	-17.0027
"297159"	365.148876	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+H"	1.007276
"685211"	547.219676	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+H"	1.007276
"1361559"	183.078076	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H"	1.007276
"133353"	183.078076	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+2H"	2.014552
"569636"	274.113476	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+2H"	2.014552
"1049373"	92.042676	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2H"	2.014552
"213992"	122.387809333333	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+3H"	3.021828
"652460"	183.078076	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+3H"	3.021828
"1169490"	61.6975426666667	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+3H"	3.021828
"427662"	382.175423	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+NH4"	18.033823
"787926"	564.246223	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+NH4"	18.033823
"1682189"	200.104623	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+NH4"	18.033823
"330464"	191.5913495	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+H+NH4"	19.041099
"729702"	282.6267495	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+H+NH4"	19.041099
"1491912"	100.5559495	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H+NH4"	19.041099
"407917"	387.130818	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+Na"	22.989218
"768791"	569.201618	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+Na"	22.989218
"1609110"	205.060018	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Na"	22.989218
"321333"	194.069047	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+H+Na"	23.996494
"715942"	285.104447	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+H+Na"	23.996494
"1469764"	103.033647	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H+Na"	23.996494
"1065200"	69.0248566666667	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2H+Na"	25.00377
"1272347"	215.104286	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+CH3OH+H"	33.033486
"387639"	403.104758	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+K"	38.963158
"748636"	585.175558	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+K"	38.963158
"1552514"	221.033958	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+K"	38.963158
"307867"	202.056017	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+H+K"	39.970434
"703205"	293.091417	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+H+K"	39.970434
"1456295"	111.020617	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H+K"	39.970434
"242710"	406.175426	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+ACN+H"	42.033826
"1218700"	224.104626	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+ACN+H"	42.033826
"1195290"	112.555951	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+ACN+2H"	43.041102
"189123"	409.11276	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+2Na-H"	44.97116
"629177"	591.18356	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+2Na-H"	44.97116
"1134148"	227.04196	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2Na-H"	44.97116
"173465"	205.060018	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+2Na"	45.978436
"615175"	296.095418	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+2Na"	45.978436
"1130723"	114.024618	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2Na"	45.978436
"1411690"	76.3521706666667	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H+2Na"	46.985712
"1444172"	229.083546	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H+HCOOH"	47.012746
"225851"	210.09304	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+3H2O+2H"	56.04448
"1521202"	243.13559	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+IsoProp+H"	61.06479
"422711"	213.046988	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+Na+K"	61.952376
"781885"	304.082388	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+Na+K"	61.952376
"1676758"	122.011588	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Na+K"	61.952376
"262911"	428.157368	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+ACN+Na"	64.015768
"1238902"	246.086568	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+ACN+Na"	64.015768
"1724871"	246.110093	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+NH4+HCOOH"	64.039293
"1190957"	83.6794846666667	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+3Na"	68.967654
"1662672"	251.065488	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Na+HCOOH"	68.994688
"166613"	441.06064	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+2K-H"	76.91904
"601801"	623.13144	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+2K-H"	76.91904
"1087406"	258.98984	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2K-H"	76.91904
"144226"	221.033958	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"2M+2K"	77.926316
"584876"	312.069358	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"3M+2K"	77.926316
"1068604"	129.998558	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2K"	77.926316
"1102605"	261.004392	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2K+H"	78.933592
"1340084"	261.092007	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+DMSO+H"	79.021207
"1008613"	265.131176	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2ACN+H"	83.060376
"1528926"	266.124808	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+IsoProp+Na+H"	84.054008
"994282"	133.069226	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+2ACN+2H"	84.067652
"1594258"	267.039428	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+K+HCOOH"	84.968628
"1418824"	297.070938	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+H+CF3COOH"	115.000138
"1154583"	153.582501	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+3ACN+2H"	125.094202
"1700854"	314.097485	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+NH4+CF3COOH"	132.026685
"1647440"	319.05288	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+Na+CF3COOH"	136.98208
"1575436"	335.02682	"C03113"	"Diisopropyl phosphate"	"C6H15O4P"	"182.0708"	"M+K+CF3COOH"	152.95602
"814553"	146.0844	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M"	0
"982617"	127.06601	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-H2O-H"	-19.01839
"75234"	96.382324	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M-3H"	-3.021828
"514795"	145.077124	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M-3H"	-3.021828
"894055"	47.687524	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-3H"	-3.021828
"7891"	145.077124	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M-2H"	-2.014552
"450732"	218.119324	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M-2H"	-2.014552
"832060"	72.034924	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-2H"	-2.014552
"93157"	291.161524	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M-H"	-1.007276
"533078"	437.245924	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M-H"	-1.007276
"910633"	145.077124	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-H"	-1.007276
"62096"	308.188071	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M-2H+NH4"	16.019271
"501530"	454.272471	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M-2H+NH4"	16.019271
"879212"	162.103671	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-2H+NH4"	16.019271
"46387"	313.143466	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M-2H+Na"	20.974666
"485705"	459.227866	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M-2H+Na"	20.974666
"862414"	167.059066	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-2H+Na"	20.974666
"1632678"	167.059066	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Na-2H"	20.974666
"107869"	163.065463	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M-H+Cl"	33.962126
"548527"	236.107663	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M-H+Cl"	33.962126
"941434"	90.023263	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-H+Cl"	33.962126
"281572"	327.138202	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+Cl"	34.969402
"673746"	473.222602	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+Cl"	34.969402
"1287360"	181.053802	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Cl"	34.969402
"22504"	329.117406	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M-2H+K"	36.948606
"465343"	475.201806	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M-2H+K"	36.948606
"838772"	183.033006	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-2H+K"	36.948606
"1564803"	183.033006	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+K-2H"	36.948606
"950145"	191.082594	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-H+HCOOH"	44.998194
"366173"	337.167001	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+HCOOH-H"	44.998201
"358809"	351.182651	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+Hac-H"	59.013851
"1507154"	205.098251	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Hac-H"	59.013851
"971536"	213.064551	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-H+NaCOOH"	66.980151
"120442"	181.053802	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+2Cl"	69.938804
"563286"	254.096002	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+2Cl"	69.938804
"1033180"	108.011602	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2Cl"	69.938804
"1253122"	225.003285	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Br"	78.918885
"1311196"	227.059272	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Cl+HCOOH"	80.974872
"1329784"	249.041229	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Cl+NaCOOH"	102.956829
"921936"	259.069986	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M-H+CF3COOH"	112.985586
"1297555"	295.046664	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Cl+CF3COOH"	148.962264
"1376809"	111.071724	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H-2H2O"	-35.012676
"1389930"	129.0817	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H-H2O"	-17.0027
"295084"	293.176076	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+H"	1.007276
"688601"	439.260476	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+H"	1.007276
"1363858"	147.091676	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H"	1.007276
"131279"	147.091676	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+2H"	2.014552
"575214"	220.133876	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+2H"	2.014552
"1048391"	74.049476	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2H"	2.014552
"215195"	98.396876	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+3H"	3.021828
"652570"	147.091676	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+3H"	3.021828
"1169600"	49.702076	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+3H"	3.021828
"426676"	310.202623	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+NH4"	18.033823
"788036"	456.287023	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+NH4"	18.033823
"1683030"	164.118223	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+NH4"	18.033823
"330334"	155.6049495	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+H+NH4"	19.041099
"729812"	228.6471495	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+H+NH4"	19.041099
"1490196"	82.5627495	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H+NH4"	19.041099
"407301"	315.158018	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+Na"	22.989218
"765497"	461.242418	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+Na"	22.989218
"1609222"	169.073618	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Na"	22.989218
"319258"	158.082647	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+H+Na"	23.996494
"716052"	231.124847	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+H+Na"	23.996494
"1467688"	85.040447	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H+Na"	23.996494
"1062030"	57.02939	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2H+Na"	25.00377
"1269177"	179.117886	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+CH3OH+H"	33.033486
"387752"	331.131958	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+K"	38.963158
"744373"	477.216358	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+K"	38.963158
"1547520"	185.047558	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+K"	38.963158
"307977"	166.069617	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+H+K"	39.970434
"703679"	239.111817	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+H+K"	39.970434
"1453125"	93.027417	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H+K"	39.970434
"240634"	334.202626	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+ACN+H"	42.033826
"1216623"	188.118226	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+ACN+H"	42.033826
"1199047"	94.562751	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+ACN+2H"	43.041102
"191552"	337.13996	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+2Na-H"	44.97116
"631840"	483.22436	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+2Na-H"	44.97116
"1134989"	191.05556	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2Na-H"	44.97116
"173289"	169.073618	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+2Na"	45.978436
"618569"	242.115818	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+2Na"	45.978436
"1130342"	96.031418	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2Na"	45.978436
"1411800"	64.356704	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H+2Na"	46.985712
"1443917"	193.097146	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H+HCOOH"	47.012746
"232157"	174.10664	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+3H2O+2H"	56.04448
"1521316"	207.14919	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+IsoProp+H"	61.06479
"419544"	177.060588	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+Na+K"	61.952376
"777985"	250.102788	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+Na+K"	61.952376
"1674317"	104.018388	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Na+K"	61.952376
"262659"	356.184568	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+ACN+Na"	64.015768
"1238283"	210.100168	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+ACN+Na"	64.015768
"1723165"	210.123693	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+NH4+HCOOH"	64.039293
"1190705"	71.684018	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+3Na"	68.967654
"1663149"	215.079088	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Na+HCOOH"	68.994688
"170005"	369.08784	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+2K-H"	76.91904
"605191"	515.17224	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+2K-H"	76.91904
"1088612"	223.00344	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2K-H"	76.91904
"144336"	185.047558	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"2M+2K"	77.926316
"584990"	258.089758	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"3M+2K"	77.926316
"1069867"	112.005358	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2K"	77.926316
"1102714"	225.017992	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2K+H"	78.933592
"1340195"	225.105607	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+DMSO+H"	79.021207
"1009818"	229.144776	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2ACN+H"	83.060376
"1534870"	230.138408	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+IsoProp+Na+H"	84.054008
"1000952"	115.076026	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+2ACN+2H"	84.067652
"1597648"	231.053028	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+K+HCOOH"	84.968628
"1422214"	261.084538	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+H+CF3COOH"	115.000138
"1154693"	135.589301	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+3ACN+2H"	125.094202
"1706431"	278.111085	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+NH4+CF3COOH"	132.026685
"1647550"	283.06648	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+Na+CF3COOH"	136.98208
"1578826"	299.04042	"C03114"	"Dimethylbenzimidazole;56-Dimethylbenzimidazole"	"C9H10N2"	"146.0844"	"M+K+CF3COOH"	152.95602
"805913"	462.0974	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M"	0
"978351"	443.07901	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-H2O-H"	-19.01839
"72060"	307.057657333333	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M-3H"	-3.021828
"512715"	461.090124	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M-3H"	-3.021828
"887236"	153.025190666667	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-3H"	-3.021828
"13832"	461.090124	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M-2H"	-2.014552
"448653"	692.138824	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M-2H"	-2.014552
"831197"	230.041424	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-2H"	-2.014552
"92647"	923.187524	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M-H"	-1.007276
"534075"	1385.284924	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M-H"	-1.007276
"909277"	461.090124	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-H"	-1.007276
"61591"	940.214071	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M-2H+NH4"	16.019271
"500301"	1402.311471	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M-2H+NH4"	16.019271
"878957"	478.116671	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-2H+NH4"	16.019271
"46860"	945.169466	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M-2H+Na"	20.974666
"486658"	1407.266866	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M-2H+Na"	20.974666
"863657"	483.072066	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-2H+Na"	20.974666
"1633479"	483.072066	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Na-2H"	20.974666
"109560"	479.078463	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M-H+Cl"	33.962126
"549521"	710.127163	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M-H+Cl"	33.962126
"942027"	248.029763	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-H+Cl"	33.962126
"282487"	959.164202	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+Cl"	34.969402
"674821"	1421.261602	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+Cl"	34.969402
"1287709"	497.066802	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Cl"	34.969402
"30023"	961.143406	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M-2H+K"	36.948606
"469823"	1423.240806	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M-2H+K"	36.948606
"842158"	499.046006	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-2H+K"	36.948606
"1565640"	499.046006	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+K-2H"	36.948606
"944417"	507.095594	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-H+HCOOH"	44.998194
"364091"	969.193001	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+HCOOH-H"	44.998201
"346882"	983.208651	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+Hac-H"	59.013851
"1496800"	521.111251	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Hac-H"	59.013851
"962168"	529.077551	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-H+NaCOOH"	66.980151
"114353"	497.066802	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+2Cl"	69.938804
"557196"	728.115502	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+2Cl"	69.938804
"1027094"	266.018102	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2Cl"	69.938804
"1249950"	541.016285	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Br"	78.918885
"1313492"	543.072272	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Cl+HCOOH"	80.974872
"1324426"	565.054229	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Cl+NaCOOH"	102.956829
"918764"	575.082986	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M-H+CF3COOH"	112.985586
"1300212"	611.059664	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Cl+CF3COOH"	148.962264
"1374730"	427.084724	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H-2H2O"	-35.012676
"1393318"	445.0947	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H-H2O"	-17.0027
"297257"	925.202076	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+H"	1.007276
"685431"	1387.299476	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+H"	1.007276
"1359591"	463.104676	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H"	1.007276
"130295"	463.104676	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+2H"	2.014552
"573136"	694.153376	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+2H"	2.014552
"1047402"	232.055976	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2H"	2.014552
"214214"	309.072209333333	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+3H"	3.021828
"654865"	463.104676	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+3H"	3.021828
"1172990"	155.039742666667	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+3H"	3.021828
"429699"	942.228623	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+NH4"	18.033823
"790694"	1404.326023	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+NH4"	18.033823
"1682650"	480.131223	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+NH4"	18.033823
"330562"	471.6179495	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+H+NH4"	19.041099
"722946"	702.6666495	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+H+NH4"	19.041099
"1487027"	240.5692495	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H+NH4"	19.041099
"405708"	947.184018	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+Na"	22.989218
"764515"	1409.281418	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+Na"	22.989218
"1612615"	485.086618	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Na"	22.989218
"325929"	474.095647	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+H+Na"	23.996494
"719443"	705.144347	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+H+Na"	23.996494
"1471080"	243.046947	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H+Na"	23.996494
"1062140"	162.367056666667	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2H+Na"	25.00377
"1269287"	495.130886	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+CH3OH+H"	33.033486
"386770"	963.157958	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+K"	38.963158
"748858"	1425.255358	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+K"	38.963158
"1553098"	501.060558	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+K"	38.963158
"312461"	482.082617	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+H+K"	39.970434
"705612"	713.131317	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+H+K"	39.970434
"1455423"	251.033917	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H+K"	39.970434
"236733"	966.228626	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+ACN+H"	42.033826
"1217826"	504.131226	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+ACN+H"	42.033826
"1195877"	252.569251	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+ACN+2H"	43.041102
"189840"	969.16596	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+2Na-H"	44.97116
"630129"	1431.26336	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+2Na-H"	44.97116
"1136556"	507.06856	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2Na-H"	44.97116
"174497"	485.086618	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+2Na"	45.978436
"621595"	716.135318	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+2Na"	45.978436
"1129845"	254.037918	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2Na"	45.978436
"1409723"	169.694370666667	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H+2Na"	46.985712
"1444843"	509.110146	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H+HCOOH"	47.012746
"233365"	490.11964	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+3H2O+2H"	56.04448
"1522521"	523.16219	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+IsoProp+H"	61.06479
"417101"	493.073588	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+Na+K"	61.952376
"783562"	724.122288	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+Na+K"	61.952376
"1678801"	262.024888	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Na+K"	61.952376
"264593"	988.210568	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+ACN+Na"	64.015768
"1237666"	526.113168	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+ACN+Na"	64.015768
"1724729"	526.136693	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+NH4+HCOOH"	64.039293
"1192268"	177.021684666667	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+3Na"	68.967654
"1663256"	531.092088	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Na+HCOOH"	68.994688
"163554"	1001.11384	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+2K-H"	76.91904
"602020"	1463.21124	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+2K-H"	76.91904
"1087992"	539.01644	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2K-H"	76.91904
"144446"	501.060558	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"2M+2K"	77.926316
"587287"	732.109258	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"3M+2K"	77.926316
"1077270"	270.011858	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2K"	77.926316
"1108293"	541.030992	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2K+H"	78.933592
"1348690"	541.118607	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+DMSO+H"	79.021207
"1016492"	545.157776	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2ACN+H"	83.060376
"1536443"	546.151408	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+IsoProp+Na+H"	84.054008
"998877"	273.082526	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+2ACN+2H"	84.067652
"1597758"	547.066028	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+K+HCOOH"	84.968628
"1417949"	577.097538	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+H+CF3COOH"	115.000138
"1154803"	293.595801	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+3ACN+2H"	125.094202
"1702168"	594.124085	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+NH4+CF3COOH"	132.026685
"1641099"	599.07948	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+Na+CF3COOH"	136.98208
"1578936"	615.05342	"C03115"	"Farnesyl triphosphate"	"C15H29O10P3"	"462.0974"	"M+K+CF3COOH"	152.95602
"801432"	589.0822	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M"	0
"974327"	570.06381	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H2O-H"	-19.01839
"62902"	391.714190666667	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-3H"	-3.021828
"512825"	588.074924	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-3H"	-3.021828
"881879"	195.353457333333	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-3H"	-3.021828
"11390"	588.074924	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H"	-2.014552
"448763"	882.616024	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H"	-2.014552
"831186"	293.533824	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H"	-2.014552
"93001"	1177.157124	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-H"	-1.007276
"534145"	1766.239324	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-H"	-1.007276
"908294"	588.074924	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H"	-1.007276
"61944"	1194.183671	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+NH4"	16.019271
"500289"	1783.265871	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+NH4"	16.019271
"879828"	605.101471	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H+NH4"	16.019271
"47026"	1199.139066	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+Na"	20.974666
"484215"	1788.221266	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+Na"	20.974666
"863483"	610.056866	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H+Na"	20.974666
"1633017"	610.056866	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na-2H"	20.974666
"109783"	606.063263	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-H+Cl"	33.962126
"549343"	900.604363	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-H+Cl"	33.962126
"942256"	311.522163	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+Cl"	33.962126
"282149"	1213.133802	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Cl"	34.969402
"674202"	1802.216002	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+Cl"	34.969402
"1284537"	624.051602	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl"	34.969402
"26001"	1215.113006	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+K"	36.948606
"464466"	1804.195206	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+K"	36.948606
"840081"	626.030806	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H+K"	36.948606
"1561378"	626.030806	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K-2H"	36.948606
"944892"	634.080394	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+HCOOH"	44.998194
"364201"	1223.162601	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+HCOOH-H"	44.998201
"349179"	1237.178251	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Hac-H"	59.013851
"1493752"	648.096051	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Hac-H"	59.013851
"961545"	656.062351	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+NaCOOH"	66.980151
"112638"	624.051602	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2Cl"	69.938804
"556213"	918.592702	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2Cl"	69.938804
"1030484"	329.510502	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2Cl"	69.938804
"1254434"	668.001085	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Br"	78.918885
"1315789"	670.057072	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+HCOOH"	80.974872
"1326724"	692.039029	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+NaCOOH"	102.956829
"917783"	702.067786	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+CF3COOH"	112.985586
"1298864"	738.044464	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+CF3COOH"	148.962264
"1377027"	554.069524	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H-2H2O"	-35.012676
"1393428"	572.0795	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H-H2O"	-17.0027
"294208"	1179.171676	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H"	1.007276
"681166"	1768.253876	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H"	1.007276
"1358608"	590.089476	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H"	1.007276
"129309"	590.089476	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2H"	2.014552
"571059"	884.630576	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2H"	2.014552
"1046419"	295.548376	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2H"	2.014552
"216509"	393.728742666667	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+3H"	3.021828
"654975"	590.089476	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+3H"	3.021828
"1169820"	197.368009333333	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+3H"	3.021828
"430903"	1196.198223	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+NH4"	18.033823
"790804"	1785.280423	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+NH4"	18.033823
"1682032"	607.116023	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+NH4"	18.033823
"334321"	598.6027495	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H+NH4"	19.041099
"722899"	893.1438495	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H+NH4"	19.041099
"1477356"	304.0616495	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+NH4"	19.041099
"398158"	1201.153618	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Na"	22.989218
"766811"	1790.235818	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+Na"	22.989218
"1613817"	612.071418	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na"	22.989218
"326039"	601.080447	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H+Na"	23.996494
"716273"	895.621547	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H+Na"	23.996494
"1472282"	306.539347	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+Na"	23.996494
"1064436"	204.695323333333	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2H+Na"	25.00377
"1270126"	622.115686	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+CH3OH+H"	33.033486
"386880"	1217.127558	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+K"	38.963158
"748968"	1806.209758	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+K"	38.963158
"1552844"	628.045358	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K"	38.963158
"312207"	609.067417	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H+K"	39.970434
"706084"	903.608517	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H+K"	39.970434
"1456626"	314.526317	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+K"	39.970434
"237938"	1220.198226	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+H"	42.033826
"1215749"	631.116026	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+H"	42.033826
"1196715"	316.061651	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+2H"	43.041102
"189013"	1223.13556	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na-H"	44.97116
"629142"	1812.21776	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na-H"	44.97116
"1134476"	634.05336	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2Na-H"	44.97116
"175215"	612.071418	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na"	45.978436
"614046"	906.612518	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na"	45.978436
"1128496"	317.530318	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2Na"	45.978436
"1409834"	212.022637333333	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+2Na"	46.985712
"1441950"	636.094946	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+HCOOH"	47.012746
"234808"	617.10444	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+3H2O+2H"	56.04448
"1523806"	650.14699	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+H"	61.06479
"423775"	620.058388	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Na+K"	61.952376
"784765"	914.599488	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+Na+K"	61.952376
"1677816"	325.517288	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na+K"	61.952376
"264336"	1242.180168	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+Na"	64.015768
"1238505"	653.097968	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+Na"	64.015768
"1723744"	653.121493	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+HCOOH"	64.039293
"1189097"	219.349951333333	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+3Na"	68.967654
"1663366"	658.076888	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na+HCOOH"	68.994688
"163664"	1255.08344	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2K-H"	76.91904
"603226"	1844.16564	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2K-H"	76.91904
"1088103"	666.00124	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2K-H"	76.91904
"145649"	628.045358	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2K"	77.926316
"584117"	922.586458	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2K"	77.926316
"1077016"	333.504258	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2K"	77.926316
"1110590"	668.015792	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2K+H"	78.933592
"1346976"	668.103407	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+DMSO+H"	79.021207
"1016602"	672.142576	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+H"	83.060376
"1537283"	673.136208	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+Na+H"	84.054008
"1002267"	336.574926	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+2H"	84.067652
"1597868"	674.050828	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K+HCOOH"	84.968628
"1418059"	704.082338	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+CF3COOH"	115.000138
"1158193"	357.088201	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+3ACN+2H"	125.094202
"1705558"	721.108885	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+CF3COOH"	132.026685
"1641209"	726.06428	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na+CF3COOH"	136.98208
"1579046"	742.03822	"C03117"	"GDP-6-deoxy-D-mannose;GDP-D-rhamnose;GDP-6-deoxy-alpha-D-mannose;GDP-alpha-D-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K+CF3COOH"	152.95602
"806245"	148.0484	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M"	0
"986339"	129.03001	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-H2O-H"	-19.01839
"72395"	97.6916573333333	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M-3H"	-3.021828
"516329"	147.041124	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M-3H"	-3.021828
"884289"	48.3421906666667	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-3H"	-3.021828
"1769"	147.041124	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M-2H"	-2.014552
"445703"	221.065324	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M-2H"	-2.014552
"820588"	73.016924	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-2H"	-2.014552
"94001"	295.089524	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M-H"	-1.007276
"529621"	443.137924	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M-H"	-1.007276
"906328"	147.041124	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-H"	-1.007276
"57424"	312.116071	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M-2H+NH4"	16.019271
"498077"	460.164471	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M-2H+NH4"	16.019271
"875880"	164.067671	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-2H+NH4"	16.019271
"45488"	317.071466	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M-2H+Na"	20.974666
"480062"	465.119866	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M-2H+Na"	20.974666
"862238"	169.023066	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-2H+Na"	20.974666
"1631770"	169.023066	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Na-2H"	20.974666
"106114"	165.029463	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M-H+Cl"	33.962126
"545674"	239.053663	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M-H+Cl"	33.962126
"939188"	91.005263	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-H+Cl"	33.962126
"274462"	331.066202	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+Cl"	34.969402
"665791"	479.114602	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+Cl"	34.969402
"1279288"	183.017802	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Cl"	34.969402
"19292"	333.045406	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M-2H+K"	36.948606
"459580"	481.093806	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M-2H+K"	36.948606
"841403"	184.997006	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-2H+K"	36.948606
"1562703"	184.997006	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+K-2H"	36.948606
"944026"	193.046594	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-H+HCOOH"	44.998194
"366615"	341.095001	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+HCOOH-H"	44.998201
"354874"	355.110651	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+Hac-H"	59.013851
"1503707"	207.062251	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Hac-H"	59.013851
"973073"	215.028551	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-H+NaCOOH"	66.980151
"123438"	183.017802	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+2Cl"	69.938804
"562998"	257.042002	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+2Cl"	69.938804
"1032890"	108.993602	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2Cl"	69.938804
"1247000"	226.967285	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Br"	78.918885
"1311634"	229.023272	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Cl+HCOOH"	80.974872
"1326943"	251.005229	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Cl+NaCOOH"	102.956829
"912535"	261.033986	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M-H+CF3COOH"	112.985586
"1289242"	297.010664	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Cl+CF3COOH"	148.962264
"1367772"	113.035724	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H-2H2O"	-35.012676
"1394748"	131.0457	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H-H2O"	-17.0027
"284591"	297.104076	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+H"	1.007276
"679201"	445.152476	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+H"	1.007276
"1354453"	149.055676	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H"	1.007276
"130622"	149.055676	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+2H"	2.014552
"569092"	223.079876	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+2H"	2.014552
"1041172"	75.031476	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2H"	2.014552
"213447"	99.7062093333333	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+3H"	3.021828
"648268"	149.055676	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+3H"	3.021828
"1166029"	50.3567426666667	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+3H"	3.021828
"427842"	314.130623	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+NH4"	18.033823
"788838"	462.179023	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+NH4"	18.033823
"1685168"	166.082223	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+NH4"	18.033823
"343300"	157.5689495	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+H+NH4"	19.041099
"736818"	231.5931495	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+H+NH4"	19.041099
"1491607"	83.5447495	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H+NH4"	19.041099
"399473"	319.086018	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+Na"	22.989218
"768735"	467.134418	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+Na"	22.989218
"1610756"	171.037618	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Na"	22.989218
"327844"	160.046647	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+H+Na"	23.996494
"719414"	234.070847	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+H+Na"	23.996494
"1474333"	86.022447	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H+Na"	23.996494
"1065389"	57.6840566666667	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2H+Na"	25.00377
"1269255"	181.081886	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+CH3OH+H"	33.033486
"388923"	335.059958	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+K"	38.963158
"751379"	483.108358	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+K"	38.963158
"1554160"	187.011558	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+K"	38.963158
"306229"	168.033617	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+H+K"	39.970434
"703024"	242.057817	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+H+K"	39.970434
"1454659"	94.009417	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H+K"	39.970434
"246541"	338.130626	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+ACN+H"	42.033826
"1214875"	190.082226	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+ACN+H"	42.033826
"1203132"	95.544751	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+ACN+2H"	43.041102
"197096"	341.06796	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+2Na-H"	44.97116
"636291"	489.11636	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+2Na-H"	44.97116
"1142358"	193.01956	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2Na-H"	44.97116
"182367"	171.037618	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+2Na"	45.978436
"624117"	245.061818	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+2Na"	45.978436
"1129327"	97.013418	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2Na"	45.978436
"1411147"	65.0113706666667	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H+2Na"	46.985712
"1442898"	195.061146	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H+HCOOH"	47.012746
"235271"	176.07064	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+3H2O+2H"	56.04448
"1522115"	209.11319	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+IsoProp+H"	61.06479
"423020"	179.024588	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+Na+K"	61.952376
"784137"	253.048788	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+Na+K"	61.952376
"1674753"	105.000388	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Na+K"	61.952376
"266258"	360.112568	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+ACN+Na"	64.015768
"1239086"	212.064168	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+ACN+Na"	64.015768
"1723965"	212.087693	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+NH4+HCOOH"	64.039293
"1189318"	72.3386846666667	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+3Na"	68.967654
"1663220"	217.043088	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Na+HCOOH"	68.994688
"168259"	373.01584	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+2K-H"	76.91904
"601624"	521.06424	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+2K-H"	76.91904
"1087231"	224.96744	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2K-H"	76.91904
"143681"	187.011558	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"2M+2K"	77.926316
"582107"	261.035758	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"3M+2K"	77.926316
"1072137"	112.987358	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2K"	77.926316
"1105345"	226.981992	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2K+H"	78.933592
"1343916"	227.069607	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+DMSO+H"	79.021207
"1019742"	231.108776	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2ACN+H"	83.060376
"1533856"	232.102408	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+IsoProp+Na+H"	84.054008
"999211"	116.058026	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+2ACN+2H"	84.067652
"1589349"	233.017028	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+K+HCOOH"	84.968628
"1416101"	263.048538	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+H+CF3COOH"	115.000138
"1156228"	136.571301	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+3ACN+2H"	125.094202
"1700312"	280.075085	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+NH4+CF3COOH"	132.026685
"1638153"	285.03048	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+Na+CF3COOH"	136.98208
"1571736"	301.00442	"C03124"	"beta-L-Aspartylhydroxamate"	"C4H8N2O4"	"148.0484"	"M+K+CF3COOH"	152.95602
"806356"	273.9995	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M"	0
"987545"	254.98111	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-H2O-H"	-19.01839
"74693"	181.659057333333	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M-3H"	-3.021828
"513160"	272.992224	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M-3H"	-3.021828
"889868"	90.3258906666667	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-3H"	-3.021828
"7349"	272.992224	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M-2H"	-2.014552
"449095"	409.991974	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M-2H"	-2.014552
"832374"	135.992474	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-2H"	-2.014552
"93339"	546.991724	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M-H"	-1.007276
"533748"	820.991224	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M-H"	-1.007276
"907535"	272.992224	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-H"	-1.007276
"56441"	564.018271	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M-2H+NH4"	16.019271
"500377"	838.017771	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M-2H+NH4"	16.019271
"878427"	290.018771	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-2H+NH4"	16.019271
"45720"	568.973666	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M-2H+Na"	20.974666
"485520"	842.973166	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M-2H+Na"	20.974666
"863200"	294.974166	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-2H+Na"	20.974666
"1628602"	294.974166	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Na-2H"	20.974666
"105130"	290.980563	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M-H+Cl"	33.962126
"541411"	427.980313	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M-H+Cl"	33.962126
"936017"	153.980813	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-H+Cl"	33.962126
"276760"	582.968402	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+Cl"	34.969402
"664807"	856.967902	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+Cl"	34.969402
"1278304"	308.968902	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Cl"	34.969402
"18680"	584.947606	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M-2H+K"	36.948606
"466998"	858.947106	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M-2H+K"	36.948606
"843701"	310.948106	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-2H+K"	36.948606
"1568284"	310.948106	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+K-2H"	36.948606
"951792"	318.997694	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-H+HCOOH"	44.998194
"372197"	592.997201	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+HCOOH-H"	44.998201
"360454"	607.012851	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+Hac-H"	59.013851
"1504913"	333.013351	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Hac-H"	59.013851
"966985"	340.979651	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-H+NaCOOH"	66.980151
"118078"	308.968902	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+2Cl"	69.938804
"552172"	445.968652	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+2Cl"	69.938804
"1024617"	171.969152	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2Cl"	69.938804
"1244194"	352.918385	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Br"	78.918885
"1307371"	354.974372	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Cl+HCOOH"	80.974872
"1320861"	376.956329	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Cl+NaCOOH"	102.956829
"917024"	386.985086	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M-H+CF3COOH"	112.985586
"1292638"	422.961764	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Cl+CF3COOH"	148.962264
"1379551"	238.986824	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H-2H2O"	-35.012676
"1393766"	256.9968	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H-H2O"	-17.0027
"294547"	549.006276	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+H"	1.007276
"680406"	823.005776	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+H"	1.007276
"1352743"	275.006776	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H"	1.007276
"130738"	275.006776	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+2H"	2.014552
"568475"	412.006526	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+2H"	2.014552
"1040553"	138.007026	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2H"	2.014552
"205904"	183.673609333333	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+3H"	3.021828
"645828"	275.006776	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+3H"	3.021828
"1164681"	92.3404426666667	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+3H"	3.021828
"424381"	566.032823	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+NH4"	18.033823
"786028"	840.032323	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+NH4"	18.033823
"1696908"	292.033323	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+NH4"	18.033823
"343414"	283.5200495	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+H+NH4"	19.041099
"738019"	420.5197995	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+H+NH4"	19.041099
"1489652"	146.5202995	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H+NH4"	19.041099
"406512"	570.988218	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+Na"	22.989218
"768599"	844.987718	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+Na"	22.989218
"1611960"	296.988718	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Na"	22.989218
"324188"	285.997747	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+H+Na"	23.996494
"720260"	422.997497	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+H+Na"	23.996494
"1474443"	148.997997	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H+Na"	23.996494
"1065863"	99.6677566666667	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2H+Na"	25.00377
"1269731"	307.032986	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+CH3OH+H"	33.033486
"389760"	586.962158	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+K"	38.963158
"752946"	860.961658	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+K"	38.963158
"1549162"	312.962658	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+K"	38.963158
"304150"	293.984717	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+H+K"	39.970434
"699854"	430.984467	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+H+K"	39.970434
"1455862"	156.984967	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H+K"	39.970434
"242277"	590.032826	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+ACN+H"	42.033826
"1217172"	316.033326	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+ACN+H"	42.033826
"1204336"	158.520301	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+ACN+2H"	43.041102
"196112"	592.97016	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+2Na-H"	44.97116
"643589"	866.96966	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+2Na-H"	44.97116
"1145754"	318.97066	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2Na-H"	44.97116
"187831"	296.988718	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+2Na"	45.978436
"626418"	433.988468	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+2Na"	45.978436
"1127372"	159.988968	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2Na"	45.978436
"1412353"	106.995070666667	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H+2Na"	46.985712
"1443012"	321.012246	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H+HCOOH"	47.012746
"232707"	302.02174	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+3H2O+2H"	56.04448
"1518946"	335.06429	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+IsoProp+H"	61.06479
"421548"	304.975688	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+Na+K"	61.952376
"775618"	441.975438	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+Na+K"	61.952376
"1671948"	167.975938	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Na+K"	61.952376
"263570"	612.014768	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+ACN+Na"	64.015768
"1237375"	338.015268	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+ACN+Na"	64.015768
"1722980"	338.038793	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+NH4+HCOOH"	64.039293
"1190157"	114.322384666667	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+3Na"	68.967654
"1660049"	342.994188	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Na+HCOOH"	68.994688
"163994"	624.91804	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+2K-H"	76.91904
"599183"	898.91754	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+2K-H"	76.91904
"1086978"	350.91854	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2K-H"	76.91904
"142093"	312.962658	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"2M+2K"	77.926316
"594298"	449.962408	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"3M+2K"	77.926316
"1078809"	175.962908	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2K"	77.926316
"1104363"	352.933092	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2K+H"	78.933592
"1348407"	353.020707	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+DMSO+H"	79.021207
"1018030"	357.059876	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2ACN+H"	83.060376
"1535063"	358.053508	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+IsoProp+Na+H"	84.054008
"997142"	179.033576	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+2ACN+2H"	84.067652
"1591645"	358.968128	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+K+HCOOH"	84.968628
"1417303"	388.999638	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+H+CF3COOH"	115.000138
"1148806"	199.546851	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+3ACN+2H"	125.094202
"1706987"	406.026185	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+NH4+CF3COOH"	132.026685
"1638264"	410.98158	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+Na+CF3COOH"	136.98208
"1573185"	426.95552	"C03126"	"L-Iduronate 2-sulfate"	"C6H10O10S"	"273.9995"	"M+K+CF3COOH"	152.95602
"802093"	73.0528	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M"	0
"977814"	54.03441	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-H2O-H"	-19.01839
"67149"	47.6945906666667	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M-3H"	-3.021828
"511083"	72.045524	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M-3H"	-3.021828
"883058"	23.3436573333333	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-3H"	-3.021828
"8559"	72.045524	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M-2H"	-2.014552
"449211"	108.571924	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M-2H"	-2.014552
"832651"	35.519124	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-2H"	-2.014552
"87006"	145.098324	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M-H"	-1.007276
"533500"	218.151124	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M-H"	-1.007276
"909721"	72.045524	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-H"	-1.007276
"61787"	162.124871	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M-2H+NH4"	16.019271
"500374"	235.177671	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M-2H+NH4"	16.019271
"876836"	89.072071	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-2H+NH4"	16.019271
"45104"	167.080266	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M-2H+Na"	20.974666
"483570"	240.133066	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M-2H+Na"	20.974666
"860278"	94.027466	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-2H+Na"	20.974666
"1628716"	94.027466	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Na-2H"	20.974666
"101964"	90.033863	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M-H+Cl"	33.962126
"544805"	126.560263	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M-H+Cl"	33.962126
"933944"	53.507463	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-H+Cl"	33.962126
"279067"	181.075002	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+Cl"	34.969402
"670401"	254.127802	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+Cl"	34.969402
"1282803"	108.022202	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Cl"	34.969402
"27550"	183.054206	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M-2H+K"	36.948606
"461640"	256.107006	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M-2H+K"	36.948606
"842725"	110.001406	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-2H+K"	36.948606
"1562930"	110.001406	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+K-2H"	36.948606
"954463"	118.050994	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-H+HCOOH"	44.998194
"370125"	191.103801	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+HCOOH-H"	44.998201
"359110"	205.119451	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+Hac-H"	59.013851
"1506848"	132.066651	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Hac-H"	59.013851
"970019"	140.032951	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-H+NaCOOH"	66.980151
"119290"	108.022202	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+2Cl"	69.938804
"563224"	144.548602	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+2Cl"	69.938804
"1034213"	71.495802	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2Cl"	69.938804
"1253792"	151.971685	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Br"	78.918885
"1317698"	154.027672	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Cl+HCOOH"	80.974872
"1330460"	176.009629	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Cl+NaCOOH"	102.956829
"923704"	186.038386	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M-H+CF3COOH"	112.985586
"1301503"	222.015064	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Cl+CF3COOH"	148.962264
"1377476"	38.040124	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H-2H2O"	-35.012676
"1392785"	56.0501	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H-H2O"	-17.0027
"291379"	147.112876	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+H"	1.007276
"685987"	220.165676	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+H"	1.007276
"1357961"	74.060076	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H"	1.007276
"128300"	74.060076	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+2H"	2.014552
"567494"	110.586476	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+2H"	2.014552
"1038599"	37.533676	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2H"	2.014552
"216592"	49.7091426666667	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+3H"	3.021828
"655060"	74.060076	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+3H"	3.021828
"1177446"	25.3582093333333	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+3H"	3.021828
"433546"	164.139423	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+NH4"	18.033823
"798918"	237.192223	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+NH4"	18.033823
"1690873"	91.086623	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+NH4"	18.033823
"340246"	82.5733495	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+H+NH4"	19.041099
"734854"	119.0997495	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+H+NH4"	19.041099
"1490135"	46.0469495	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H+NH4"	19.041099
"407971"	169.094818	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+Na"	22.989218
"768721"	242.147618	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+Na"	22.989218
"1617180"	96.042018	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Na"	22.989218
"328312"	85.051047	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+H+Na"	23.996494
"719638"	121.577447	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+H+Na"	23.996494
"1471634"	48.524647	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H+Na"	23.996494
"1062691"	32.6855233333333	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2H+Na"	25.00377
"1272481"	106.086286	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+CH3OH+H"	33.033486
"390970"	185.068758	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+K"	38.963158
"746132"	258.121558	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+K"	38.963158
"1552558"	112.015958	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+K"	38.963158
"305360"	93.038017	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+H+K"	39.970434
"697777"	129.564417	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+H+K"	39.970434
"1447222"	56.511617	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H+K"	39.970434
"241292"	188.139426	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+ACN+H"	42.033826
"1223503"	115.086626	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+ACN+H"	42.033826
"1208602"	58.046951	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+ACN+2H"	43.041102
"201354"	191.07676	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+2Na-H"	44.97116
"641640"	264.12956	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+2Na-H"	44.97116
"1144658"	118.02396	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2Na-H"	44.97116
"186128"	96.042018	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+2Na"	45.978436
"623254"	132.568418	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+2Na"	45.978436
"1127492"	59.515618	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2Na"	45.978436
"1411376"	40.0128373333333	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H+2Na"	46.985712
"1443369"	120.065546	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H+HCOOH"	47.012746
"233556"	101.07504	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+3H2O+2H"	56.04448
"1520156"	134.11759	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+IsoProp+H"	61.06479
"413280"	104.028988	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+Na+K"	61.952376
"777556"	140.555388	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+Na+K"	61.952376
"1668050"	67.502588	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Na+K"	61.952376
"254938"	210.121368	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+ACN+Na"	64.015768
"1229833"	137.068568	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+ACN+Na"	64.015768
"1715435"	137.092093	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+NH4+HCOOH"	64.039293
"1187359"	47.3401513333333	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+3Na"	68.967654
"1657253"	142.047488	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Na+HCOOH"	68.994688
"164113"	223.02464	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+2K-H"	76.91904
"603681"	296.07744	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+2K-H"	76.91904
"1096940"	149.97184	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2K-H"	76.91904
"155702"	112.015958	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"2M+2K"	77.926316
"586758"	148.542358	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"3M+2K"	77.926316
"1073820"	75.489558	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2K"	77.926316
"1103388"	151.986392	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2K+H"	78.933592
"1339772"	152.074007	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+DMSO+H"	79.021207
"1009392"	156.113176	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2ACN+H"	83.060376
"1526424"	157.106808	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+IsoProp+Na+H"	84.054008
"993968"	78.560226	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+2ACN+2H"	84.067652
"1591758"	158.021428	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+K+HCOOH"	84.968628
"1417417"	188.052938	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+H+CF3COOH"	115.000138
"1156453"	99.073501	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+3ACN+2H"	125.094202
"1700537"	205.079485	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+NH4+CF3COOH"	132.026685
"1638376"	210.03488	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+Na+CF3COOH"	136.98208
"1579494"	226.00882	"C03134"	"NN-Dimethylformamide;NN-Dimethylmethanamide;DMF"	"C3H7NO"	"73.0528"	"M+K+CF3COOH"	152.95602
"808768"	221.0899	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M"	0
"976833"	202.07151	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"72728"	146.385990666667	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"511201"	220.082624	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"887909"	72.6893573333333	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"6483"	220.082624	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"449327"	330.627574	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"829315"	109.537674	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"90404"	441.172524	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"531056"	662.262424	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"907765"	220.082624	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"58860"	458.199071	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"498417"	679.288971	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"877317"	237.109171	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"43757"	463.154466	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"481495"	684.244366	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"858201"	242.064566	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1623359"	242.064566	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"100979"	238.070963	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"540540"	348.615913	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"931871"	127.526013	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"276995"	477.149202	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"670511"	698.239102	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1284011"	256.059302	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"27660"	479.128406	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"469409"	700.218306	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"846116"	258.038506	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1570334"	258.038506	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"956761"	266.088094	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"371330"	487.178001	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"357399"	501.193651	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1506230"	280.103751	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"968304"	288.070051	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"119396"	256.059302	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"561151"	366.604252	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1035420"	145.514352	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1255364"	300.008785	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1313073"	302.064772	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1330569"	324.046729	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"919440"	334.075486	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1299427"	370.052164	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1377587"	186.077224	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1393991"	204.0872	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"290395"	443.187076	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"683910"	664.276976	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1354429"	222.097176	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"127680"	222.097176	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"571617"	332.642126	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1045886"	111.552226	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"211598"	148.400542666667	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"659193"	222.097176	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1176219"	74.7039093333333	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"439010"	460.213623	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"800005"	681.303523	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1689890"	239.123723	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"342545"	230.6104495	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"731684"	341.1553995	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1486596"	120.0654995	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"407231"	465.169018	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"769562"	686.258918	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1618372"	244.079118	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"329603"	233.088147	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"722757"	343.633097	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1476972"	122.543197	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1066818"	82.0312233333333	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1266673"	254.123386	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"386342"	481.142958	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"748431"	702.232858	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1549389"	260.053058	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"304376"	241.075117	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"696795"	351.620067	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1450614"	130.530167	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"249811"	484.213626	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1224463"	263.123726	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1207132"	132.065501	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"199637"	487.15096	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"639195"	708.24086	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1144526"	266.06106	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"184895"	244.079118	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"625549"	354.624068	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1122493"	133.534168	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1412214"	89.3585373333333	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1441415"	268.102646	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"231109"	249.11214	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1519173"	282.15469	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"422140"	252.066088	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"777666"	362.611038	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1675091"	141.521138	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"255050"	506.195568	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1227758"	285.105668	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1723212"	285.129193	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1191845"	96.6858513333333	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1661740"	290.084588	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"164229"	519.09884	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"610351"	740.18874	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1097780"	298.00894	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"146212"	260.053058	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"585774"	370.598008	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1071379"	149.508108	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1103496"	300.023492	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1338421"	300.111107	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1009138"	304.150276	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1527265"	305.143908	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"994449"	152.578776	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1595150"	306.058528	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1422996"	336.090038	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1153285"	173.092051	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1710491"	353.116585	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1649424"	358.07198	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1579606"	374.04592	"C03136"	"N-Acetyl-D-hexosamine"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"802071"	246.1004	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M"	0
"976943"	227.08201	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-H2O-H"	-19.01839
"65183"	163.059657333333	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M-3H"	-3.021828
"511311"	245.093124	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M-3H"	-3.021828
"888019"	81.0261906666667	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-3H"	-3.021828
"6593"	245.093124	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M-2H"	-2.014552
"450529"	368.143324	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M-2H"	-2.014552
"828331"	122.042924	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-2H"	-2.014552
"90511"	491.193524	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M-H"	-1.007276
"532989"	737.293924	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M-H"	-1.007276
"910184"	245.093124	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-H"	-1.007276
"61644"	508.220071	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M-2H+NH4"	16.019271
"499620"	754.320471	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M-2H+NH4"	16.019271
"877424"	262.119671	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-2H+NH4"	16.019271
"46053"	513.175466	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M-2H+Na"	20.974666
"481604"	759.275866	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M-2H+Na"	20.974666
"858311"	267.075066	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-2H+Na"	20.974666
"1623101"	267.075066	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Na-2H"	20.974666
"99996"	263.081463	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M-H+Cl"	33.962126
"540650"	386.131663	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M-H+Cl"	33.962126
"929794"	140.031263	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-H+Cl"	33.962126
"277105"	527.170202	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+Cl"	34.969402
"671714"	773.270602	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+Cl"	34.969402
"1286307"	281.069802	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Cl"	34.969402
"27405"	529.149406	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M-2H+K"	36.948606
"469884"	775.249806	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M-2H+K"	36.948606
"845498"	283.049006	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-2H+K"	36.948606
"1568623"	283.049006	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+K-2H"	36.948606
"957600"	291.098594	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-H+HCOOH"	44.998194
"373627"	537.199001	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+HCOOH-H"	44.998201
"357509"	551.214651	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+Hac-H"	59.013851
"1505612"	305.114251	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Hac-H"	59.013851
"968049"	313.080551	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-H+NaCOOH"	66.980151
"116226"	281.069802	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+2Cl"	69.938804
"555786"	404.120002	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+2Cl"	69.938804
"1035526"	158.019602	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2Cl"	69.938804
"1255474"	325.019285	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Br"	78.918885
"1316464"	327.075272	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Cl+HCOOH"	80.974872
"1331773"	349.057229	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Cl+NaCOOH"	102.956829
"921373"	359.085986	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M-H+CF3COOH"	112.985586
"1299537"	395.062664	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Cl+CF3COOH"	148.962264
"1379884"	211.087724	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H-2H2O"	-35.012676
"1393008"	229.0977	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H-H2O"	-17.0027
"289412"	493.208076	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+H"	1.007276
"684020"	739.308476	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+H"	1.007276
"1360368"	247.107676	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H"	1.007276
"129976"	247.107676	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+2H"	2.014552
"572820"	370.157876	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+2H"	2.014552
"1045996"	124.057476	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2H"	2.014552
"211708"	165.074209333333	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+3H"	3.021828
"659790"	247.107676	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+3H"	3.021828
"1175600"	83.0407426666667	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+3H"	3.021828
"439882"	510.234623	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+NH4"	18.033823
"800237"	756.335023	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+NH4"	18.033823
"1690000"	264.134223	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+NH4"	18.033823
"341198"	255.6209495	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+H+NH4"	19.041099
"731794"	378.6711495	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+H+NH4"	19.041099
"1486706"	132.5707495	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H+NH4"	19.041099
"407462"	515.190018	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+Na"	22.989218
"769312"	761.290418	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+Na"	22.989218
"1617897"	269.089618	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Na"	22.989218
"329514"	258.098647	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+H+Na"	23.996494
"722462"	381.148847	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+H+Na"	23.996494
"1476848"	135.048447	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H+Na"	23.996494
"1067982"	90.3680566666667	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2H+Na"	25.00377
"1266783"	279.133886	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+CH3OH+H"	33.033486
"385359"	531.163958	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+K"	38.963158
"745260"	777.264358	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+K"	38.963158
"1548405"	285.063558	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+K"	38.963158
"303392"	266.085617	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+H+K"	39.970434
"696903"	389.135817	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+H+K"	39.970434
"1450724"	143.035417	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H+K"	39.970434
"248821"	534.234626	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+ACN+H"	42.033826
"1225521"	288.134226	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+ACN+H"	42.033826
"1209628"	144.570751	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+ACN+2H"	43.041102
"200475"	537.17196	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+2Na-H"	44.97116
"641495"	783.27236	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+2Na-H"	44.97116
"1145362"	291.07156	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2Na-H"	44.97116
"183912"	269.089618	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+2Na"	45.978436
"625659"	392.139818	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+2Na"	45.978436
"1122603"	146.039418	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2Na"	45.978436
"1410501"	97.6953706666667	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H+2Na"	46.985712
"1441525"	293.113146	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H+HCOOH"	47.012746
"231219"	274.12264	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+3H2O+2H"	56.04448
"1519283"	307.16519	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+IsoProp+H"	61.06479
"422979"	277.076588	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+Na+K"	61.952376
"775589"	400.126788	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+Na+K"	61.952376
"1675201"	154.026388	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Na+K"	61.952376
"255160"	556.216568	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+ACN+Na"	64.015768
"1227868"	310.116168	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+ACN+Na"	64.015768
"1726601"	310.139693	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+NH4+HCOOH"	64.039293
"1191955"	105.022684666667	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+3Na"	68.967654
"1664036"	315.095088	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Na+HCOOH"	68.994688
"163245"	569.11984	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+2K-H"	76.91904
"610462"	815.22024	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+2K-H"	76.91904
"1098744"	323.01944	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2K-H"	76.91904
"145229"	285.063558	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"2M+2K"	77.926316
"584791"	408.113758	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"3M+2K"	77.926316
"1070760"	162.013358	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2K"	77.926316
"1103244"	325.033992	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2K+H"	78.933592
"1338532"	325.121607	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+DMSO+H"	79.021207
"1009613"	329.160776	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2ACN+H"	83.060376
"1528469"	330.154408	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+IsoProp+Na+H"	84.054008
"1000756"	165.084026	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+2ACN+2H"	84.067652
"1601820"	331.069028	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+K+HCOOH"	84.968628
"1423106"	361.100538	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+H+CF3COOH"	115.000138
"1154488"	185.597301	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+3ACN+2H"	125.094202
"1710601"	378.127085	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+NH4+CF3COOH"	132.026685
"1649292"	383.08248	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+Na+CF3COOH"	136.98208
"1579716"	399.05642	"C03137"	"N-Acetyl-D-tryptophan"	"C13H14N2O3"	"246.1004"	"M+K+CF3COOH"	152.95602
"801424"	175.0593	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M"	0
"977053"	156.04091	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-H2O-H"	-19.01839
"66387"	115.698924	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M-3H"	-3.021828
"509234"	174.052024	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M-3H"	-3.021828
"888129"	57.345824	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-3H"	-3.021828
"6703"	174.052024	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M-2H"	-2.014552
"449546"	261.581674	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M-2H"	-2.014552
"827348"	86.522374	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-2H"	-2.014552
"89528"	349.111324	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M-H"	-1.007276
"525805"	524.170624	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M-H"	-1.007276
"907983"	174.052024	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-H"	-1.007276
"57981"	366.137871	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M-2H+NH4"	16.019271
"498637"	541.197171	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M-2H+NH4"	16.019271
"870971"	191.078571	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-2H+NH4"	16.019271
"43247"	371.093266	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M-2H+Na"	20.974666
"483901"	546.152566	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M-2H+Na"	20.974666
"857328"	196.033966	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-2H+Na"	20.974666
"1621754"	196.033966	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Na-2H"	20.974666
"95368"	192.040363	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M-H+Cl"	33.962126
"541854"	279.570013	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M-H+Cl"	33.962126
"929904"	104.510713	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-H+Cl"	33.962126
"271745"	385.088002	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+Cl"	34.969402
"664169"	560.147302	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+Cl"	34.969402
"1280947"	210.028702	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Cl"	34.969402
"27878"	387.067206	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M-2H+K"	36.948606
"469628"	562.126506	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M-2H+K"	36.948606
"840869"	212.007906	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-2H+K"	36.948606
"1568003"	212.007906	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+K-2H"	36.948606
"954794"	220.057494	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-H+HCOOH"	44.998194
"374101"	395.116801	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+HCOOH-H"	44.998201
"354338"	409.132451	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+Hac-H"	59.013851
"1500983"	234.073151	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Hac-H"	59.013851
"967430"	242.039451	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-H+NaCOOH"	66.980151
"111961"	210.028702	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+2Cl"	69.938804
"551157"	297.558352	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+2Cl"	69.938804
"1034543"	122.499052	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2Cl"	69.938804
"1255218"	253.978185	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Br"	78.918885
"1315480"	256.034172	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Cl+HCOOH"	80.974872
"1332246"	278.016129	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Cl+NaCOOH"	102.956829
"921844"	288.044886	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M-H+CF3COOH"	112.985586
"1300742"	324.021564	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Cl+CF3COOH"	148.962264
"1380723"	140.046624	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H-2H2O"	-35.012676
"1394211"	158.0566	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H-H2O"	-17.0027
"289522"	351.125876	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+H"	1.007276
"684130"	526.185176	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+H"	1.007276
"1360478"	176.066576	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H"	1.007276
"131179"	176.066576	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+2H"	2.014552
"574023"	263.596226	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+2H"	2.014552
"1042823"	88.536926	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2H"	2.014552
"209631"	117.713476	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+3H"	3.021828
"657953"	176.066576	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+3H"	3.021828
"1175346"	59.360376	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+3H"	3.021828
"438989"	368.152423	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+NH4"	18.033823
"800224"	543.211723	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+NH4"	18.033823
"1691203"	193.093123	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+NH4"	18.033823
"341308"	184.5798495	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+H+NH4"	19.041099
"730811"	272.1094995	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+H+NH4"	19.041099
"1486815"	97.0501995	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H+NH4"	19.041099
"407330"	373.107818	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+Na"	22.989218
"767959"	548.167118	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+Na"	22.989218
"1617398"	198.048518	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Na"	22.989218
"329501"	187.057547	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+H+Na"	23.996494
"720706"	274.587197	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+H+Na"	23.996494
"1476590"	99.527897	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H+Na"	23.996494
"1065946"	66.68769	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2H+Na"	25.00377
"1267987"	208.092786	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+CH3OH+H"	33.033486
"385469"	389.081758	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+K"	38.963158
"744277"	564.141058	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+K"	38.963158
"1549609"	214.022458	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+K"	38.963158
"304230"	195.044517	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+H+K"	39.970434
"699200"	282.574167	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+H+K"	39.970434
"1450834"	107.514867	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H+K"	39.970434
"248201"	392.152426	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+ACN+H"	42.033826
"1224804"	217.093126	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+ACN+H"	42.033826
"1209700"	109.050201	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+ACN+2H"	43.041102
"201681"	395.08976	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+2Na-H"	44.97116
"641606"	570.14906	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+2Na-H"	44.97116
"1144742"	220.03046	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2Na-H"	44.97116
"183658"	198.048518	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+2Na"	45.978436
"623219"	285.578168	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+2Na"	45.978436
"1121620"	110.518868	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2Na"	45.978436
"1405874"	74.015004	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H+2Na"	46.985712
"1440542"	222.072046	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H+HCOOH"	47.012746
"228049"	203.08154	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+3H2O+2H"	56.04448
"1519393"	236.12409	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+IsoProp+H"	61.06479
"421996"	206.035488	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+Na+K"	61.952376
"774606"	293.565138	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+Na+K"	61.952376
"1674218"	118.505838	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Na+K"	61.952376
"255270"	414.134368	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+ACN+Na"	64.015768
"1229071"	239.075068	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+ACN+Na"	64.015768
"1715769"	239.098593	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+NH4+HCOOH"	64.039293
"1181124"	81.342318	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+3Na"	68.967654
"1665516"	244.053988	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Na+HCOOH"	68.994688
"164452"	427.03764	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+2K-H"	76.91904
"610570"	602.09694	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+2K-H"	76.91904
"1091804"	251.97834	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2K-H"	76.91904
"143878"	214.022458	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"2M+2K"	77.926316
"582834"	301.552108	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"3M+2K"	77.926316
"1070259"	126.492808	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2K"	77.926316
"1104812"	253.992892	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2K+H"	78.933592
"1337912"	254.080507	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+DMSO+H"	79.021207
"1010087"	258.119676	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2ACN+H"	83.060376
"1527851"	259.113308	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+IsoProp+Na+H"	84.054008
"1000866"	129.563476	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+2ACN+2H"	84.067652
"1601809"	260.027928	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+K+HCOOH"	84.968628
"1423216"	290.059438	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+H+CF3COOH"	115.000138
"1155691"	150.076751	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+3ACN+2H"	125.094202
"1710711"	307.085985	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+NH4+CF3COOH"	132.026685
"1649523"	312.04138	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+Na+CF3COOH"	136.98208
"1579826"	328.01532	"C03139"	"N-Amidino-L-aspartate;N-Amidino-L-aspartic acid;Guanidinosuccinic acid"	"C5H9N3O4"	"175.0593"	"M+K+CF3COOH"	152.95602
"806910"	189.075	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M"	0
"980443"	170.05661	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-H2O-H"	-19.01839
"75611"	125.042724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M-3H"	-3.021828
"508251"	188.067724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M-3H"	-3.021828
"887146"	62.017724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-3H"	-3.021828
"6813"	188.067724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M-2H"	-2.014552
"449658"	282.605224	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M-2H"	-2.014552
"828552"	93.530224	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-2H"	-2.014552
"90731"	377.142724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M-H"	-1.007276
"531382"	566.217724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M-H"	-1.007276
"908093"	188.067724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-H"	-1.007276
"55905"	394.169271	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M-2H+NH4"	16.019271
"497654"	583.244271	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M-2H+NH4"	16.019271
"868895"	205.094271	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-2H+NH4"	16.019271
"43358"	399.124666	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M-2H+Na"	20.974666
"477451"	588.199666	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M-2H+Na"	20.974666
"857438"	210.049666	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-2H+Na"	20.974666
"1620406"	210.049666	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Na-2H"	20.974666
"96937"	206.056063	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M-H+Cl"	33.962126
"538684"	300.593563	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M-H+Cl"	33.962126
"931107"	111.518563	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-H+Cl"	33.962126
"270762"	413.119402	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+Cl"	34.969402
"664279"	602.194402	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+Cl"	34.969402
"1277776"	224.044402	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Cl"	34.969402
"27988"	415.098606	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M-2H+K"	36.948606
"468646"	604.173606	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M-2H+K"	36.948606
"843165"	226.023606	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-2H+K"	36.948606
"1568843"	226.023606	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+K-2H"	36.948606
"955633"	234.073194	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-H+HCOOH"	44.998194
"372389"	423.148201	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+HCOOH-H"	44.998201
"355542"	437.163851	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+Hac-H"	59.013851
"1502552"	248.088851	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Hac-H"	59.013851
"967540"	256.055151	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-H+NaCOOH"	66.980151
"115353"	224.044402	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+2Cl"	69.938804
"553819"	318.581902	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+2Cl"	69.938804
"1034653"	129.506902	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2Cl"	69.938804
"1254963"	267.993885	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Br"	78.918885
"1317046"	270.049872	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Cl+HCOOH"	80.974872
"1332717"	292.031829	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Cl+NaCOOH"	102.956829
"917579"	302.060586	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M-H+CF3COOH"	112.985586
"1301945"	338.037264	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Cl+CF3COOH"	148.962264
"1380105"	154.062324	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H-2H2O"	-35.012676
"1393229"	172.0723	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H-H2O"	-17.0027
"289632"	379.157276	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+H"	1.007276
"679866"	568.232276	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+H"	1.007276
"1353298"	190.082276	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H"	1.007276
"126181"	190.082276	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+2H"	2.014552
"570853"	284.619776	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+2H"	2.014552
"1039652"	95.544776	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2H"	2.014552
"204999"	127.057276	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+3H"	3.021828
"658054"	190.082276	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+3H"	3.021828
"1176548"	64.032276	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+3H"	3.021828
"439332"	396.183823	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+NH4"	18.033823
"799731"	585.258823	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+NH4"	18.033823
"1694592"	207.108823	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+NH4"	18.033823
"342876"	198.5955495	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+H+NH4"	19.041099
"734203"	293.1330495	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+H+NH4"	19.041099
"1490210"	104.0580495	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H+NH4"	19.041099
"407805"	401.139218	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+Na"	22.989218
"769288"	590.214218	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+Na"	22.989218
"1617756"	212.064218	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Na"	22.989218
"329125"	201.073247	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+H+Na"	23.996494
"720088"	295.610747	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+H+Na"	23.996494
"1476662"	106.535747	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H+Na"	23.996494
"1067639"	71.35959	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2H+Na"	25.00377
"1271867"	222.108486	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+CH3OH+H"	33.033486
"387767"	417.113158	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+K"	38.963158
"750949"	606.188158	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+K"	38.963158
"1552636"	228.038158	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+K"	38.963158
"307256"	209.060217	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+H+K"	39.970434
"698582"	303.597717	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+H+K"	39.970434
"1450944"	114.522717	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H+K"	39.970434
"249283"	420.183826	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+ACN+H"	42.033826
"1223820"	231.108826	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+ACN+H"	42.033826
"1209036"	116.058051	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+ACN+2H"	43.041102
"201788"	423.12116	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+2Na-H"	44.97116
"640987"	612.19616	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+2Na-H"	44.97116
"1143758"	234.04616	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2Na-H"	44.97116
"182672"	212.064218	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+2Na"	45.978436
"619319"	306.601718	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+2Na"	45.978436
"1125377"	117.526718	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2Na"	45.978436
"1409994"	78.686904	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H+2Na"	46.985712
"1438465"	236.087746	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H+HCOOH"	47.012746
"227795"	217.09724	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+3H2O+2H"	56.04448
"1520231"	250.13979	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+IsoProp+H"	61.06479
"417367"	220.051188	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+Na+K"	61.952376
"777268"	314.588688	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+Na+K"	61.952376
"1673964"	125.513688	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Na+K"	61.952376
"253919"	442.165768	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+ACN+Na"	64.015768
"1228814"	253.090768	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+ACN+Na"	64.015768
"1716243"	253.114293	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+NH4+HCOOH"	64.039293
"1181594"	86.014218	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+3Na"	68.967654
"1665547"	258.069688	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Na+HCOOH"	68.994688
"164562"	455.06904	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+2K-H"	76.91904
"610680"	644.14404	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+2K-H"	76.91904
"1096287"	265.99404	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2K-H"	76.91904
"150918"	228.038158	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"2M+2K"	77.926316
"591572"	322.575658	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"3M+2K"	77.926316
"1070614"	133.500658	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2K"	77.926316
"1107109"	268.008592	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2K+H"	78.933592
"1337658"	268.096207	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+DMSO+H"	79.021207
"1009833"	272.135376	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2ACN+H"	83.060376
"1527961"	273.129008	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+IsoProp+Na+H"	84.054008
"998788"	136.571326	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+2ACN+2H"	84.067652
"1599853"	274.043628	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+K+HCOOH"	84.968628
"1417859"	304.075138	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+H+CF3COOH"	115.000138
"1151427"	157.084601	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+3ACN+2H"	125.094202
"1710821"	321.101685	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+NH4+CF3COOH"	132.026685
"1649757"	326.05708	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+Na+CF3COOH"	136.98208
"1579936"	342.03102	"C03140"	"N-Amidino-L-glutamate"	"C6H11N3O4"	"189.075"	"M+K+CF3COOH"	152.95602
"803740"	241.0739	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M"	0
"980553"	222.05551	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-H2O-H"	-19.01839
"67700"	159.708657333333	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M-3H"	-3.021828
"509455"	240.066624	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M-3H"	-3.021828
"887256"	79.3506906666667	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-3H"	-3.021828
"6923"	240.066624	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M-2H"	-2.014552
"450862"	360.603574	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M-2H"	-2.014552
"828663"	119.529674	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-2H"	-2.014552
"91813"	481.140524	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M-H"	-1.007276
"529306"	722.214424	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M-H"	-1.007276
"907110"	240.066624	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-H"	-1.007276
"58202"	498.167071	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M-2H+NH4"	16.019271
"498859"	739.240971	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M-2H+NH4"	16.019271
"874472"	257.093171	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-2H+NH4"	16.019271
"42375"	503.122466	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M-2H+Na"	20.974666
"477561"	744.196366	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M-2H+Na"	20.974666
"856455"	262.048566	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-2H+Na"	20.974666
"1621611"	262.048566	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Na-2H"	20.974666
"99235"	258.054963	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M-H+Cl"	33.962126
"543169"	378.591913	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M-H+Cl"	33.962126
"931220"	137.518013	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-H+Cl"	33.962126
"278528"	517.117202	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+Cl"	34.969402
"667669"	758.191102	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+Cl"	34.969402
"1281167"	276.043302	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Cl"	34.969402
"21537"	519.096406	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M-2H+K"	36.948606
"464380"	760.170306	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M-2H+K"	36.948606
"839995"	278.022506	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-2H+K"	36.948606
"1566765"	278.022506	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+K-2H"	36.948606
"954285"	286.072094	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-H+HCOOH"	44.998194
"371770"	527.146001	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+HCOOH-H"	44.998201
"353465"	541.161651	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+Hac-H"	59.013851
"1503390"	300.087751	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Hac-H"	59.013851
"964370"	308.054051	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-H+NaCOOH"	66.980151
"113276"	276.043302	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+2Cl"	69.938804
"552835"	396.580252	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+2Cl"	69.938804
"1033670"	155.506352	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2Cl"	69.938804
"1253983"	319.992785	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Br"	78.918885
"1314607"	322.048772	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Cl+HCOOH"	80.974872
"1329915"	344.030729	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Cl+NaCOOH"	102.956829
"922063"	354.059486	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M-H+CF3COOH"	112.985586
"1298775"	390.036164	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Cl+CF3COOH"	148.962264
"1375839"	206.061224	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H-2H2O"	-35.012676
"1393338"	224.0712	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H-H2O"	-17.0027
"289742"	483.155076	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+H"	1.007276
"682163"	724.228976	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+H"	1.007276
"1359604"	242.081176	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H"	1.007276
"132494"	242.081176	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+2H"	2.014552
"568404"	362.618126	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+2H"	2.014552
"1038659"	121.544226	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2H"	2.014552
"206931"	161.723209333333	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+3H"	3.021828
"657067"	242.081176	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+3H"	3.021828
"1175193"	81.3652426666667	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+3H"	3.021828
"439852"	500.181623	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+NH4"	18.033823
"800927"	741.255523	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+NH4"	18.033823
"1696986"	259.107723	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+NH4"	18.033823
"343712"	250.5944495	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+H+NH4"	19.041099
"738078"	371.1313995	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+H+NH4"	19.041099
"1492383"	130.0574995	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H+NH4"	19.041099
"407303"	505.137018	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+Na"	22.989218
"769153"	746.210918	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+Na"	22.989218
"1616275"	264.063118	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Na"	22.989218
"328623"	253.072147	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+H+Na"	23.996494
"720191"	373.609097	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+H+Na"	23.996494
"1475832"	132.535197	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H+Na"	23.996494
"1067952"	88.6925566666667	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2H+Na"	25.00377
"1272097"	274.107386	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+CH3OH+H"	33.033486
"392759"	521.110958	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+K"	38.963158
"744495"	762.184858	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+K"	38.963158
"1551650"	280.037058	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+K"	38.963158
"305544"	261.059117	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+H+K"	39.970434
"697236"	381.596067	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+H+K"	39.970434
"1448866"	140.522167	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H+K"	39.970434
"249153"	524.181626	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+ACN+H"	42.033826
"1222959"	283.107726	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+ACN+H"	42.033826
"1208660"	142.057501	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+ACN+2H"	43.041102
"200079"	527.11896	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+2Na-H"	44.97116
"641461"	768.19286	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+2Na-H"	44.97116
"1143507"	286.04506	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2Na-H"	44.97116
"184612"	264.063118	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+2Na"	45.978436
"623805"	384.600068	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+2Na"	45.978436
"1127312"	143.526168	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2Na"	45.978436
"1411929"	96.0198706666667	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H+2Na"	46.985712
"1440763"	288.086646	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H+HCOOH"	47.012746
"232648"	269.09614	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+3H2O+2H"	56.04448
"1521071"	302.13869	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+IsoProp+H"	61.06479
"422216"	272.050088	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+Na+K"	61.952376
"777742"	392.587038	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+Na+K"	61.952376
"1674074"	151.513138	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Na+K"	61.952376
"258767"	546.163568	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+ACN+Na"	64.015768
"1234755"	305.089668	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+ACN+Na"	64.015768
"1719998"	305.113193	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+NH4+HCOOH"	64.039293
"1181342"	103.347184666667	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+3Na"	68.967654
"1661085"	310.068588	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Na+HCOOH"	68.994688
"167954"	559.06684	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+2K-H"	76.91904
"607512"	800.14074	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+2K-H"	76.91904
"1098463"	317.99294	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2K-H"	76.91904
"155403"	280.037058	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"2M+2K"	77.926316
"592777"	400.574008	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"3M+2K"	77.926316
"1079476"	159.500108	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2K"	77.926316
"1102845"	320.007492	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2K+H"	78.933592
"1339230"	320.095107	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+DMSO+H"	79.021207
"1011039"	324.134276	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2ACN+H"	83.060376
"1530258"	325.127908	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+IsoProp+Na+H"	84.054008
"992337"	162.570776	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+2ACN+2H"	84.067652
"1587689"	326.042528	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+K+HCOOH"	84.968628
"1414931"	356.074038	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+H+CF3COOH"	115.000138
"1151536"	183.084051	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+3ACN+2H"	125.094202
"1710931"	373.100585	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+NH4+CF3COOH"	132.026685
"1648770"	378.05598	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+Na+CF3COOH"	136.98208
"1577858"	394.02992	"C03141"	"N-Benzoylanthranilate;2-Benzoylaminobenzoic acid"	"C14H11NO3"	"241.0739"	"M+K+CF3COOH"	152.95602
"803850"	255.1107	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M"	0
"977383"	236.09231	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-H2O-H"	-19.01839
"64894"	169.066524	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M-3H"	-3.021828
"510657"	254.103424	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M-3H"	-3.021828
"889552"	84.029624	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-3H"	-3.021828
"11407"	254.103424	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M-2H"	-2.014552
"453160"	381.658774	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M-2H"	-2.014552
"829867"	126.548074	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-2H"	-2.014552
"93829"	509.214124	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M-H"	-1.007276
"528323"	764.324824	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M-H"	-1.007276
"909407"	254.103424	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-H"	-1.007276
"56126"	526.240671	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M-2H+NH4"	16.019271
"498969"	781.351371	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M-2H+NH4"	16.019271
"875676"	271.129971	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-2H+NH4"	16.019271
"39205"	531.196066	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M-2H+Na"	20.974666
"478763"	786.306766	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M-2H+Na"	20.974666
"854377"	276.085366	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-2H+Na"	20.974666
"1622085"	276.085366	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Na-2H"	20.974666
"99345"	272.091763	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M-H+Cl"	33.962126
"543279"	399.647113	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M-H+Cl"	33.962126
"928897"	144.536413	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-H+Cl"	33.962126
"278638"	545.190802	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+Cl"	34.969402
"668873"	800.301502	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+Cl"	34.969402
"1282370"	290.080102	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Cl"	34.969402
"22740"	547.170006	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M-2H+K"	36.948606
"465583"	802.280706	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M-2H+K"	36.948606
"840105"	292.059306	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-2H+K"	36.948606
"1563594"	292.059306	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+K-2H"	36.948606
"956581"	300.108894	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-H+HCOOH"	44.998194
"370786"	555.219601	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+HCOOH-H"	44.998201
"350295"	569.235251	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+Hac-H"	59.013851
"1498033"	314.124551	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Hac-H"	59.013851
"964480"	322.090851	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-H+NaCOOH"	66.980151
"112655"	290.080102	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+2Cl"	69.938804
"551852"	417.635452	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+2Cl"	69.938804
"1033416"	162.524752	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2Cl"	69.938804
"1252632"	334.029585	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Br"	78.918885
"1315445"	336.085572	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Cl+HCOOH"	80.974872
"1331848"	358.067529	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Cl+NaCOOH"	102.956829
"922173"	368.096286	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M-H+CF3COOH"	112.985586
"1300343"	404.072964	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Cl+CF3COOH"	148.962264
"1374856"	220.098024	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H-2H2O"	-35.012676
"1393448"	238.108	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H-H2O"	-17.0027
"292039"	511.228676	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+H"	1.007276
"681180"	766.339376	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+H"	1.007276
"1359714"	256.117976	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H"	1.007276
"133697"	256.117976	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+2H"	2.014552
"567058"	383.673326	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+2H"	2.014552
"1038769"	128.562626	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2H"	2.014552
"207405"	171.081076	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+3H"	3.021828
"656449"	256.117976	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+3H"	3.021828
"1169835"	86.044176	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+3H"	3.021828
"436390"	528.255223	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+NH4"	18.033823
"800669"	783.365923	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+NH4"	18.033823
"1696267"	273.144523	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+NH4"	18.033823
"343459"	264.6312495	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+H+NH4"	19.041099
"735511"	392.1865995	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+H+NH4"	19.041099
"1487144"	137.0758995	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H+NH4"	19.041099
"406562"	533.210618	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+Na"	22.989218
"769587"	788.321318	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+Na"	22.989218
"1617843"	278.099918	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Na"	22.989218
"327880"	267.108947	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+H+Na"	23.996494
"719936"	394.664297	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+H+Na"	23.996494
"1476306"	139.553597	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H+Na"	23.996494
"1067733"	93.37149	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2H+Na"	25.00377
"1272325"	288.144186	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+CH3OH+H"	33.033486
"392646"	549.184558	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+K"	38.963158
"754007"	804.295258	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+K"	38.963158
"1551031"	294.073858	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+K"	38.963158
"305290"	275.095917	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+H+K"	39.970434
"695159"	402.651267	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+H+K"	39.970434
"1447883"	147.540567	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H+K"	39.970434
"246345"	552.255226	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+ACN+H"	42.033826
"1222334"	297.144526	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+ACN+H"	42.033826
"1208404"	149.075901	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+ACN+2H"	43.041102
"201646"	555.19256	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+2Na-H"	44.97116
"640477"	810.30326	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+2Na-H"	44.97116
"1143983"	300.08186	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2Na-H"	44.97116
"182166"	278.099918	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+2Na"	45.978436
"622821"	405.655268	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+2Na"	45.978436
"1128148"	150.544568	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2Na"	45.978436
"1409484"	100.698804	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H+2Na"	46.985712
"1438685"	302.123446	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H+HCOOH"	47.012746
"231296"	283.13294	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+3H2O+2H"	56.04448
"1519721"	316.17549	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+IsoProp+H"	61.06479
"418312"	286.086888	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+Na+K"	61.952376
"778213"	413.642238	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+Na+K"	61.952376
"1673455"	158.531538	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Na+K"	61.952376
"258148"	574.237168	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+ACN+Na"	64.015768
"1234865"	319.126468	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+ACN+Na"	64.015768
"1718287"	319.149993	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+NH4+HCOOH"	64.039293
"1183639"	108.026118	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+3Na"	68.967654
"1663018"	324.105388	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Na+HCOOH"	68.994688
"168063"	587.14044	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+2K-H"	76.91904
"607622"	842.25114	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+2K-H"	76.91904
"1098940"	332.02974	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2K-H"	76.91904
"155879"	294.073858	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"2M+2K"	77.926316
"594953"	421.629208	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"3M+2K"	77.926316
"1079586"	166.518508	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2K"	77.926316
"1106236"	334.044292	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2K+H"	78.933592
"1340433"	334.131907	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+DMSO+H"	79.021207
"1010056"	338.171076	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2ACN+H"	83.060376
"1529275"	339.164708	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+IsoProp+Na+H"	84.054008
"992447"	169.589176	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+2ACN+2H"	84.067652
"1589501"	340.079328	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+K+HCOOH"	84.968628
"1421359"	370.110838	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+H+CF3COOH"	115.000138
"1151646"	190.102451	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+3ACN+2H"	125.094202
"1711041"	387.137385	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+NH4+CF3COOH"	132.026685
"1648880"	392.09278	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+Na+CF3COOH"	136.98208
"1577968"	408.06672	"C03142"	"N-D-Glucosylarylamine"	"C12H17NO5"	"255.1107"	"M+K+CF3COOH"	152.95602
"801773"	177.046	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M"	0
"980773"	158.02761	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-H2O-H"	-19.01839
"66827"	117.023390666667	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M-3H"	-3.021828
"510768"	176.038724	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M-3H"	-3.021828
"889662"	58.0080573333333	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-3H"	-3.021828
"10424"	176.038724	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M-2H"	-2.014552
"452903"	264.561724	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M-2H"	-2.014552
"830705"	87.515724	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-2H"	-2.014552
"93248"	353.084724	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M-H"	-1.007276
"529526"	530.130724	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M-H"	-1.007276
"909517"	176.038724	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-H"	-1.007276
"61582"	370.111271	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M-2H+NH4"	16.019271
"501266"	547.157271	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M-2H+NH4"	16.019271
"871412"	193.065271	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-2H+NH4"	16.019271
"38222"	375.066666	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M-2H+Na"	20.974666
"476687"	552.112666	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M-2H+Na"	20.974666
"855579"	198.020666	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-2H+Na"	20.974666
"1625112"	198.020666	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Na-2H"	20.974666
"100549"	194.027063	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M-H+Cl"	33.962126
"540109"	282.550063	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M-H+Cl"	33.962126
"933626"	105.504063	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-H+Cl"	33.962126
"277654"	389.061402	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+Cl"	34.969402
"671899"	566.107402	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+Cl"	34.969402
"1285032"	212.015402	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Cl"	34.969402
"19570"	391.040606	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M-2H+K"	36.948606
"463507"	568.086606	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M-2H+K"	36.948606
"839122"	213.994606	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-2H+K"	36.948606
"1563704"	213.994606	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+K-2H"	36.948606
"955962"	222.044194	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-H+HCOOH"	44.998194
"370896"	399.090201	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+HCOOH-H"	44.998201
"350405"	413.105851	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+Hac-H"	59.013851
"1498143"	236.059851	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Hac-H"	59.013851
"964590"	244.026151	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-H+NaCOOH"	66.980151
"112402"	212.015402	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+2Cl"	69.938804
"551961"	300.538402	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+2Cl"	69.938804
"1034983"	123.492402	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2Cl"	69.938804
"1252743"	255.964885	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Br"	78.918885
"1315557"	258.020872	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Cl+HCOOH"	80.974872
"1332687"	280.002829	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Cl+NaCOOH"	102.956829
"924471"	290.031586	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M-H+CF3COOH"	112.985586
"1301911"	326.008264	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Cl+CF3COOH"	148.962264
"1374966"	142.033324	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H-2H2O"	-35.012676
"1395382"	160.0433	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H-H2O"	-17.0027
"292149"	355.099276	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+H"	1.007276
"681290"	532.145276	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+H"	1.007276
"1359824"	178.053276	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H"	1.007276
"134901"	178.053276	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+2H"	2.014552
"567897"	266.576276	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+2H"	2.014552
"1038879"	89.530276	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2H"	2.014552
"205079"	119.037942666667	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+3H"	3.021828
"650726"	178.053276	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+3H"	3.021828
"1169945"	60.0226093333333	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+3H"	3.021828
"433948"	372.125823	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+NH4"	18.033823
"799319"	549.171823	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+NH4"	18.033823
"1694190"	195.079823	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+NH4"	18.033823
"343199"	186.5665495	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+H+NH4"	19.041099
"736595"	275.0895495	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+H+NH4"	19.041099
"1489077"	98.0435495	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H+NH4"	19.041099
"408013"	377.081218	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+Na"	22.989218
"769131"	554.127218	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+Na"	22.989218
"1615043"	200.035218	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Na"	22.989218
"329816"	189.044247	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+H+Na"	23.996494
"719687"	277.567247	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+H+Na"	23.996494
"1475324"	100.521247	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H+Na"	23.996494
"1068172"	67.3499233333333	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2H+Na"	25.00377
"1272073"	210.079486	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+CH3OH+H"	33.033486
"392672"	393.055158	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+K"	38.963158
"752737"	570.101158	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+K"	38.963158
"1547863"	216.009158	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+K"	38.963158
"305038"	197.031217	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+H+K"	39.970434
"696362"	285.554217	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+H+K"	39.970434
"1447993"	108.508217	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H+K"	39.970434
"250101"	396.125826	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+ACN+H"	42.033826
"1223540"	219.079826	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+ACN+H"	42.033826
"1207057"	110.043551	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+ACN+2H"	43.041102
"201392"	399.06316	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+2Na-H"	44.97116
"641315"	576.10916	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+2Na-H"	44.97116
"1144458"	222.01716	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2Na-H"	44.97116
"182277"	200.035218	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+2Na"	45.978436
"625118"	288.558218	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+2Na"	45.978436
"1128623"	111.512218	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2Na"	45.978436
"1409959"	74.6772373333333	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H+2Na"	46.985712
"1439524"	224.058746	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H+HCOOH"	47.012746
"231042"	205.06824	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+3H2O+2H"	56.04448
"1519103"	238.11079	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+IsoProp+H"	61.06479
"416236"	208.022188	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+Na+K"	61.952376
"781239"	296.545188	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+Na+K"	61.952376
"1676481"	119.499188	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Na+K"	61.952376
"257166"	418.107768	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+ACN+Na"	64.015768
"1233883"	241.061768	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+ACN+Na"	64.015768
"1719490"	241.085293	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+NH4+HCOOH"	64.039293
"1184842"	82.0045513333333	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+3Na"	68.967654
"1662400"	246.040688	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Na+HCOOH"	68.994688
"170360"	431.01104	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+2K-H"	76.91904
"609919"	608.05704	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+2K-H"	76.91904
"1099740"	253.96504	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2K-H"	76.91904
"156594"	216.009158	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"2M+2K"	77.926316
"595184"	304.532158	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"3M+2K"	77.926316
"1081883"	127.486158	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2K"	77.926316
"1109627"	255.979592	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2K+H"	78.933592
"1341637"	256.067207	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+DMSO+H"	79.021207
"1012353"	260.106376	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2ACN+H"	83.060376
"1531569"	261.100008	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+IsoProp+Na+H"	84.054008
"994743"	130.556826	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+2ACN+2H"	84.067652
"1589247"	262.014628	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+K+HCOOH"	84.968628
"1424749"	292.046138	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+H+CF3COOH"	115.000138
"1151756"	151.070101	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+3ACN+2H"	125.094202
"1712244"	309.072685	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+NH4+CF3COOH"	132.026685
"1648625"	314.02808	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+Na+CF3COOH"	136.98208
"1576985"	330.00202	"C03145"	"N-Formylmethionine;N-Formyl-L-methionine"	"C6H11NO3S"	"177.046"	"M+K+CF3COOH"	152.95602
"804070"	237.0849	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M"	0
"980883"	218.06651	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-H2O-H"	-19.01839
"66937"	157.049324	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M-3H"	-3.021828
"514159"	236.077624	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M-3H"	-3.021828
"893054"	78.021024	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-3H"	-3.021828
"11627"	236.077624	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M-2H"	-2.014552
"452284"	354.620074	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M-2H"	-2.014552
"830085"	117.535174	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-2H"	-2.014552
"91902"	473.162524	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M-H"	-1.007276
"530730"	710.247424	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M-H"	-1.007276
"907445"	236.077624	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-H"	-1.007276
"59627"	490.189071	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M-2H+NH4"	16.019271
"499919"	727.273971	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M-2H+NH4"	16.019271
"871522"	253.104171	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-2H+NH4"	16.019271
"35052"	495.144466	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M-2H+Na"	20.974666
"474611"	732.229366	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M-2H+Na"	20.974666
"852411"	258.059566	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-2H+Na"	20.974666
"1623037"	258.059566	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Na-2H"	20.974666
"99563"	254.065963	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M-H+Cl"	33.962126
"540219"	372.608413	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M-H+Cl"	33.962126
"928631"	135.523513	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-H+Cl"	33.962126
"277763"	509.139202	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+Cl"	34.969402
"669092"	746.224102	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+Cl"	34.969402
"1283683"	272.054302	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Cl"	34.969402
"25147"	511.118406	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M-2H+K"	36.948606
"467990"	748.203306	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M-2H+K"	36.948606
"844699"	274.033506	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-2H+K"	36.948606
"1569280"	274.033506	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+K-2H"	36.948606
"956072"	282.083094	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-H+HCOOH"	44.998194
"374286"	519.168001	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+HCOOH-H"	44.998201
"359262"	533.183651	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+Hac-H"	59.013851
"1500440"	296.098751	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Hac-H"	59.013851
"964700"	304.065051	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-H+NaCOOH"	66.980151
"113605"	272.054302	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+2Cl"	69.938804
"550613"	390.596752	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+2Cl"	69.938804
"1023060"	153.511852	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2Cl"	69.938804
"1254675"	316.003785	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Br"	78.918885
"1317489"	318.059772	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Cl+HCOOH"	80.974872
"1334741"	340.041729	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Cl+NaCOOH"	102.956829
"924946"	350.070486	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M-H+CF3COOH"	112.985586
"1299100"	386.047164	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Cl+CF3COOH"	148.962264
"1372889"	202.072224	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H-2H2O"	-35.012676
"1396220"	220.0822	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H-H2O"	-17.0027
"292259"	475.177076	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+H"	1.007276
"683586"	712.261976	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+H"	1.007276
"1359934"	238.092176	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H"	1.007276
"136104"	238.092176	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+2H"	2.014552
"568737"	356.634626	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+2H"	2.014552
"1040084"	119.549726	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2H"	2.014552
"206164"	159.063876	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+3H"	3.021828
"648647"	238.092176	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+3H"	3.021828
"1171146"	80.035576	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+3H"	3.021828
"434422"	492.203623	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+NH4"	18.033823
"798334"	729.288523	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+NH4"	18.033823
"1690654"	255.118723	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+NH4"	18.033823
"338933"	246.6054495	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+H+NH4"	19.041099
"730262"	365.1478995	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+H+NH4"	19.041099
"1485178"	128.0629995	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H+NH4"	19.041099
"402780"	497.159018	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+Na"	22.989218
"767419"	734.243918	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+Na"	22.989218
"1616975"	260.074118	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Na"	22.989218
"328954"	249.083147	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+H+Na"	23.996494
"721131"	367.625597	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+H+Na"	23.996494
"1472520"	130.540697	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H+Na"	23.996494
"1066863"	87.36289	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2H+Na"	25.00377
"1269633"	270.118386	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+CH3OH+H"	33.033486
"390755"	513.132958	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+K"	38.963158
"751753"	750.217858	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+K"	38.963158
"1547973"	276.048058	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+K"	38.963158
"305148"	257.070117	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+H+K"	39.970434
"694286"	375.612567	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+H+K"	39.970434
"1447010"	138.527667	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H+K"	39.970434
"247658"	516.203626	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+ACN+H"	42.033826
"1224378"	279.118726	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+ACN+H"	42.033826
"1205709"	140.063001	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+ACN+2H"	43.041102
"201863"	519.14096	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+2Na-H"	44.97116
"641787"	756.22586	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+2Na-H"	44.97116
"1144202"	282.05606	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2Na-H"	44.97116
"184208"	260.074118	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+2Na"	45.978436
"623404"	378.616568	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+2Na"	45.978436
"1127640"	141.531668	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2Na"	45.978436
"1410068"	94.690204	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H+2Na"	46.985712
"1441823"	284.097646	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H+HCOOH"	47.012746
"232245"	265.10714	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+3H2O+2H"	56.04448
"1518484"	298.14969	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+IsoProp+H"	61.06479
"414160"	268.061088	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+Na+K"	61.952376
"776247"	386.603538	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+Na+K"	61.952376
"1676226"	149.518638	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Na+K"	61.952376
"258005"	538.185568	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+ACN+Na"	64.015768
"1231807"	301.100668	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+ACN+Na"	64.015768
"1718506"	301.124193	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+NH4+HCOOH"	64.039293
"1186048"	102.017518	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+3Na"	68.967654
"1655947"	306.079588	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Na+HCOOH"	68.994688
"170471"	551.08884	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+2K-H"	76.91904
"609665"	788.17374	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+2K-H"	76.91904
"1099527"	314.00394	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2K-H"	76.91904
"154638"	276.048058	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"2M+2K"	77.926316
"597042"	394.590508	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"3M+2K"	77.926316
"1083820"	157.505608	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2K"	77.926316
"1114840"	316.018492	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2K+H"	78.933592
"1339560"	316.106107	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+DMSO+H"	79.021207
"1010277"	320.145276	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2ACN+H"	83.060376
"1528401"	321.138908	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+IsoProp+Na+H"	84.054008
"993760"	160.576276	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+2ACN+2H"	84.067652
"1589357"	322.053528	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+K+HCOOH"	84.968628
"1424859"	352.085038	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+H+CF3COOH"	115.000138
"1151866"	181.089551	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+3ACN+2H"	125.094202
"1709074"	369.111585	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+NH4+CF3COOH"	132.026685
"1646912"	374.06698	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+Na+CF3COOH"	136.98208
"1577095"	390.04092	"C03146"	"N-Glycolyl-D-glucosamine"	"C8H15NO7"	"237.0849"	"M+K+CF3COOH"	152.95602
"801746"	223.0481	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M"	0
"975157"	204.02971	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-H2O-H"	-19.01839
"67047"	147.691457333333	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M-3H"	-3.021828
"510989"	222.040824	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M-3H"	-3.021828
"887696"	73.3420906666667	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-3H"	-3.021828
"7364"	222.040824	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M-2H"	-2.014552
"449113"	333.564874	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M-2H"	-2.014552
"829102"	110.516774	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-2H"	-2.014552
"90553"	445.088924	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M-H"	-1.007276
"529746"	668.137024	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M-H"	-1.007276
"902086"	222.040824	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-H"	-1.007276
"57550"	462.115471	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M-2H+NH4"	16.019271
"494923"	685.163571	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M-2H+NH4"	16.019271
"872724"	239.067371	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-2H+NH4"	16.019271
"34068"	467.070866	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M-2H+Na"	20.974666
"472167"	690.118966	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M-2H+Na"	20.974666
"850331"	244.022766	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-2H+Na"	20.974666
"1619498"	244.022766	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Na-2H"	20.974666
"94390"	240.029163	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M-H+Cl"	33.962126
"534274"	351.553213	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M-H+Cl"	33.962126
"927273"	128.505113	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-H+Cl"	33.962126
"270217"	481.065602	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+Cl"	34.969402
"669202"	704.113702	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+Cl"	34.969402
"1281605"	258.017502	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Cl"	34.969402
"27443"	483.044806	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M-2H+K"	36.948606
"468098"	706.092906	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M-2H+K"	36.948606
"845901"	259.996706	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-2H+K"	36.948606
"1563922"	259.996706	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+K-2H"	36.948606
"950715"	268.046294	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-H+HCOOH"	44.998194
"370022"	491.094401	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+HCOOH-H"	44.998201
"354999"	505.110051	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+Hac-H"	59.013851
"1498362"	282.061951	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Hac-H"	59.013851
"960433"	290.028251	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-H+NaCOOH"	66.980151
"112622"	258.017502	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+2Cl"	69.938804
"550356"	369.541552	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+2Cl"	69.938804
"1023532"	146.493452	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2Cl"	69.938804
"1254054"	301.966985	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Br"	78.918885
"1313949"	304.022972	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Cl+HCOOH"	80.974872
"1333268"	326.004929	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Cl+NaCOOH"	102.956829
"925421"	336.033686	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M-H+CF3COOH"	112.985586
"1295930"	372.010364	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Cl+CF3COOH"	148.962264
"1371906"	188.035424	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H-2H2O"	-35.012676
"1388310"	206.0454	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H-H2O"	-17.0027
"289089"	447.103476	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+H"	1.007276
"682603"	670.151576	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+H"	1.007276
"1356764"	224.055376	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H"	1.007276
"134027"	224.055376	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+2H"	2.014552
"570305"	335.579426	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+2H"	2.014552
"1039831"	112.531326	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2H"	2.014552
"205181"	149.706009333333	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+3H"	3.021828
"648757"	224.055376	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+3H"	3.021828
"1171256"	75.3566426666667	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+3H"	3.021828
"434532"	464.130023	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+NH4"	18.033823
"798444"	687.178123	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+NH4"	18.033823
"1690764"	241.081923	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+NH4"	18.033823
"337950"	232.5686495	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+H+NH4"	19.041099
"730372"	344.0926995	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+H+NH4"	19.041099
"1485288"	121.0445995	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H+NH4"	19.041099
"402890"	469.085418	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+Na"	22.989218
"767164"	692.133518	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+Na"	22.989218
"1616721"	246.037318	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Na"	22.989218
"328700"	235.046347	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+H+Na"	23.996494
"720513"	346.570397	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+H+Na"	23.996494
"1474088"	123.522297	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H+Na"	23.996494
"1066853"	82.6839566666667	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2H+Na"	25.00377
"1269986"	256.081586	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+CH3OH+H"	33.033486
"391593"	485.059358	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+K"	38.963158
"751499"	708.107458	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+K"	38.963158
"1544802"	262.011258	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+K"	38.963158
"303070"	243.033317	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+H+K"	39.970434
"694396"	354.557367	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+H+K"	39.970434
"1448213"	131.509267	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H+K"	39.970434
"245571"	488.130026	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+ACN+H"	42.033826
"1220478"	265.081926	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+ACN+H"	42.033826
"1206183"	133.044601	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+ACN+2H"	43.041102
"197234"	491.06736	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+2Na-H"	44.97116
"635702"	714.11546	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+2Na-H"	44.97116
"1140302"	268.01926	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2Na-H"	44.97116
"179216"	246.037318	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+2Na"	45.978436
"622055"	357.561368	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+2Na"	45.978436
"1127386"	134.513268	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2Na"	45.978436
"1407262"	90.0112706666667	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H+2Na"	46.985712
"1439744"	270.060846	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H+HCOOH"	47.012746
"231991"	251.07034	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+3H2O+2H"	56.04448
"1518594"	284.11289	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+IsoProp+H"	61.06479
"414270"	254.024288	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+Na+K"	61.952376
"771983"	365.548338	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+Na+K"	61.952376
"1670503"	142.500238	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Na+K"	61.952376
"254835"	510.111968	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+ACN+Na"	64.015768
"1228637"	287.063868	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+ACN+Na"	64.015768
"1716061"	287.087393	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+NH4+HCOOH"	64.039293
"1182877"	97.3385846666667	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+3Na"	68.967654
"1657150"	292.042788	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Na+HCOOH"	68.994688
"172607"	523.01524	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+2K-H"	76.91904
"611720"	746.06334	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+2K-H"	76.91904
"1099760"	299.96714	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2K-H"	76.91904
"153655"	262.011258	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"2M+2K"	77.926316
"594311"	373.535308	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"3M+2K"	77.926316
"1083076"	150.487208	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2K"	77.926316
"1113492"	301.981692	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2K+H"	78.933592
"1337118"	302.069307	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+DMSO+H"	79.021207
"1009294"	306.108476	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2ACN+H"	83.060376
"1525230"	307.102108	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+IsoProp+Na+H"	84.054008
"992406"	153.557876	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+2ACN+2H"	84.067652
"1589466"	308.016728	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+K+HCOOH"	84.968628
"1416222"	338.048238	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+H+CF3COOH"	115.000138
"1147357"	174.071151	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+3ACN+2H"	125.094202
"1706997"	355.074785	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+NH4+CF3COOH"	132.026685
"1647022"	360.03018	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+Na+CF3COOH"	136.98208
"1575018"	376.00412	"C03147"	"N-Malonylanthranilate"	"C10H9NO5"	"223.0481"	"M+K+CF3COOH"	152.95602
"803196"	247.0028	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M"	0
"975269"	227.98441	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-H2O-H"	-19.01839
"70443"	163.661257333333	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M-3H"	-3.021828
"507815"	245.995524	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M-3H"	-3.021828
"889990"	81.3269906666667	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-3H"	-3.021828
"1398"	245.995524	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M-2H"	-2.014552
"445941"	369.496924	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M-2H"	-2.014552
"824838"	122.494124	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-2H"	-2.014552
"88109"	492.998324	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M-H"	-1.007276
"528763"	740.001124	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M-H"	-1.007276
"906932"	245.995524	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-H"	-1.007276
"58753"	510.024871	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M-2H+NH4"	16.019271
"493944"	757.027671	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M-2H+NH4"	16.019271
"869556"	263.022071	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-2H+NH4"	16.019271
"36362"	514.980266	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M-2H+Na"	20.974666
"473490"	761.983066	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M-2H+Na"	20.974666
"850809"	267.977466	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-2H+Na"	20.974666
"1619612"	267.977466	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Na-2H"	20.974666
"95647"	263.983863	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M-H+Cl"	33.962126
"535702"	387.485263	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M-H+Cl"	33.962126
"937240"	140.482463	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-H+Cl"	33.962126
"274705"	528.975002	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+Cl"	34.969402
"664940"	775.977802	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+Cl"	34.969402
"1285001"	281.972202	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Cl"	34.969402
"27193"	530.954206	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M-2H+K"	36.948606
"466025"	777.957006	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M-2H+K"	36.948606
"842735"	283.951406	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-2H+K"	36.948606
"1558935"	283.951406	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+K-2H"	36.948606
"950826"	292.000994	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-H+HCOOH"	44.998194
"369042"	539.003801	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+HCOOH-H"	44.998201
"349641"	553.019451	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+Hac-H"	59.013851
"1496652"	306.016651	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Hac-H"	59.013851
"964920"	313.982951	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-H+NaCOOH"	66.980151
"111759"	281.972202	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+2Cl"	69.938804
"551929"	405.473602	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+2Cl"	69.938804
"1033859"	158.470802	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2Cl"	69.938804
"1255624"	325.921685	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Br"	78.918885
"1315153"	327.977672	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Cl+HCOOH"	80.974872
"1333378"	349.959629	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Cl+NaCOOH"	102.956829
"921521"	359.988386	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M-H+CF3COOH"	112.985586
"1302240"	395.965064	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Cl+CF3COOH"	148.962264
"1380768"	211.990124	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H-2H2O"	-35.012676
"1394618"	230.0001	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H-H2O"	-17.0027
"288107"	495.012876	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+H"	1.007276
"684901"	742.015676	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+H"	1.007276
"1357970"	248.010076	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H"	1.007276
"131953"	248.010076	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+2H"	2.014552
"574793"	371.511476	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+2H"	2.014552
"1040312"	124.508676	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2H"	2.014552
"206754"	165.675809333333	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+3H"	3.021828
"647045"	248.010076	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+3H"	3.021828
"1170277"	83.3415426666667	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+3H"	3.021828
"433549"	512.039423	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+NH4"	18.033823
"794544"	759.042223	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+NH4"	18.033823
"1693066"	265.036623	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+NH4"	18.033823
"335876"	256.5233495	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+H+NH4"	19.041099
"732672"	380.0247495	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+H+NH4"	19.041099
"1488694"	133.0219495	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H+NH4"	19.041099
"404093"	516.994818	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+Na"	22.989218
"767274"	763.997618	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+Na"	22.989218
"1616101"	269.992018	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Na"	22.989218
"325412"	259.001047	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+H+Na"	23.996494
"718196"	382.502447	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+H+Na"	23.996494
"1472744"	135.499647	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H+Na"	23.996494
"1064897"	90.6688566666667	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2H+Na"	25.00377
"1271189"	280.036286	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+CH3OH+H"	33.033486
"391951"	532.968758	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+K"	38.963158
"747237"	779.971558	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+K"	38.963158
"1546008"	285.965958	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+K"	38.963158
"304276"	266.988017	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+H+K"	39.970434
"694510"	390.489417	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+H+K"	39.970434
"1455988"	143.486617	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H+K"	39.970434
"244601"	536.039426	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+ACN+H"	42.033826
"1218404"	289.036626	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+ACN+H"	42.033826
"1201192"	145.021951	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+ACN+2H"	43.041102
"197345"	538.97676	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+2Na-H"	44.97116
"637635"	785.97956	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+2Na-H"	44.97116
"1139316"	291.97396	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2Na-H"	44.97116
"181512"	269.992018	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+2Na"	45.978436
"621073"	393.493418	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+2Na"	45.978436
"1126766"	146.490618	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2Na"	45.978436
"1403729"	97.9961706666667	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H+2Na"	46.985712
"1435845"	294.015546	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H+HCOOH"	47.012746
"231008"	275.02504	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+3H2O+2H"	56.04448
"1519069"	308.06759	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+IsoProp+H"	61.06479
"416567"	277.978988	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+Na+K"	61.952376
"776471"	401.480388	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+Na+K"	61.952376
"1671708"	154.477588	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Na+K"	61.952376
"254948"	558.021368	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+ACN+Na"	64.015768
"1234216"	311.018568	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+ACN+Na"	64.015768
"1713381"	311.042093	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+NH4+HCOOH"	64.039293
"1193450"	105.323484666667	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+3Na"	68.967654
"1661642"	315.997488	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Na+HCOOH"	68.994688
"171661"	570.92464	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+2K-H"	76.91904
"612560"	817.92744	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+2K-H"	76.91904
"1099137"	323.92184	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2K-H"	76.91904
"154859"	285.965958	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"2M+2K"	77.926316
"596487"	409.467358	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"3M+2K"	77.926316
"1082213"	162.464558	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2K"	77.926316
"1103393"	325.936392	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2K+H"	78.933592
"1340876"	326.024007	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+DMSO+H"	79.021207
"1010498"	330.063176	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2ACN+H"	83.060376
"1525340"	331.056808	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+IsoProp+Na+H"	84.054008
"992884"	165.535226	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+2ACN+2H"	84.067652
"1595045"	331.971428	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+K+HCOOH"	84.968628
"1414189"	362.002938	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+H+CF3COOH"	115.000138
"1159744"	186.048501	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+3ACN+2H"	125.094202
"1710390"	379.029485	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+NH4+CF3COOH"	132.026685
"1644946"	383.98488	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+Na+CF3COOH"	136.98208
"1575129"	399.95882	"C03149"	"N-Phosphotaurocyamine;Taurocyamine phosphate;N(omega)-Phosphotaurocyamine"	"C3H10N3O6PS"	"247.0028"	"M+K+CF3COOH"	152.95602
"802578"	255.0981	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M"	0
"980121"	236.07971	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-H2O-H"	-19.01839
"67274"	169.058124	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M-3H"	-3.021828
"513394"	254.090824	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M-3H"	-3.021828
"889009"	84.025424	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-3H"	-3.021828
"4305"	254.090824	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M-2H"	-2.014552
"450426"	381.639874	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M-2H"	-2.014552
"827135"	126.541774	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-2H"	-2.014552
"90409"	509.188924	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M-H"	-1.007276
"529606"	764.287024	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M-H"	-1.007276
"906677"	254.090824	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-H"	-1.007276
"57771"	526.215471	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M-2H+NH4"	16.019271
"498423"	781.313571	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M-2H+NH4"	16.019271
"874040"	271.117371	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-2H+NH4"	16.019271
"40846"	531.170866	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M-2H+Na"	20.974666
"475300"	786.268966	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M-2H+Na"	20.974666
"849823"	276.072766	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-2H+Na"	20.974666
"1621181"	276.072766	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Na-2H"	20.974666
"95758"	272.079163	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M-H+Cl"	33.962126
"536176"	399.628213	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M-H+Cl"	33.962126
"931883"	144.530113	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-H+Cl"	33.962126
"278095"	545.165602	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+Cl"	34.969402
"670517"	800.263702	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+Cl"	34.969402
"1284745"	290.067502	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Cl"	34.969402
"27305"	547.144806	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M-2H+K"	36.948606
"465042"	802.242906	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M-2H+K"	36.948606
"845396"	292.046706	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-2H+K"	36.948606
"1559774"	292.046706	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+K-2H"	36.948606
"954216"	300.096294	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-H+HCOOH"	44.998194
"371338"	555.194401	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+HCOOH-H"	44.998201
"353033"	569.210051	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+Hac-H"	59.013851
"1498584"	314.111951	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Hac-H"	59.013851
"963937"	322.078251	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-H+NaCOOH"	66.980151
"113205"	290.067502	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+2Cl"	69.938804
"552768"	417.616552	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+2Cl"	69.938804
"1032146"	162.518452	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2Cl"	69.938804
"1251726"	334.016985	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Br"	78.918885
"1316359"	336.072972	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Cl+HCOOH"	80.974872
"1331666"	358.054929	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Cl+NaCOOH"	102.956829
"921265"	368.083686	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M-H+CF3COOH"	112.985586
"1298340"	404.060364	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Cl+CF3COOH"	148.962264
"1372127"	220.085424	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H-2H2O"	-35.012676
"1388528"	238.0954	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H-H2O"	-17.0027
"288214"	511.203476	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+H"	1.007276
"681727"	766.301576	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+H"	1.007276
"1359169"	256.105376	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H"	1.007276
"126711"	256.105376	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+2H"	2.014552
"567611"	383.654426	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+2H"	2.014552
"1039688"	128.556326	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2H"	2.014552
"206136"	171.072676	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+3H"	3.021828
"647519"	256.105376	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+3H"	3.021828
"1171482"	86.039976	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+3H"	3.021828
"430378"	528.230023	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+NH4"	18.033823
"793561"	783.328123	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+NH4"	18.033823
"1693176"	273.131923	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+NH4"	18.033823
"334893"	264.6186495	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+H+NH4"	19.041099
"732782"	392.1676995	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+H+NH4"	19.041099
"1490990"	137.0695995	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H+NH4"	19.041099
"405297"	533.185418	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+Na"	22.989218
"767386"	788.283518	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+Na"	22.989218
"1615120"	278.087318	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Na"	22.989218
"327343"	267.096347	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+H+Na"	23.996494
"720492"	394.645397	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+H+Na"	23.996494
"1473947"	139.547297	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H+Na"	23.996494
"1066706"	93.36729	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2H+Na"	25.00377
"1271054"	288.131586	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+CH3OH+H"	33.033486
"391814"	549.159358	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+K"	38.963158
"749533"	804.257458	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+K"	38.963158
"1546118"	294.061258	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+K"	38.963158
"305479"	275.083317	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+H+K"	39.970434
"696806"	402.632367	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+H+K"	39.970434
"1459378"	147.534267	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H+K"	39.970434
"240339"	552.230026	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+ACN+H"	42.033826
"1219608"	297.131926	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+ACN+H"	42.033826
"1198024"	149.069601	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+ACN+2H"	43.041102
"199279"	555.16736	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+2Na-H"	44.97116
"640662"	810.26546	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+2Na-H"	44.97116
"1137240"	300.06926	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2Na-H"	44.97116
"178344"	278.087318	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+2Na"	45.978436
"617903"	405.636368	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+2Na"	45.978436
"1125784"	150.538268	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2Na"	45.978436
"1400560"	100.694604	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H+2Na"	46.985712
"1431582"	302.110846	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H+HCOOH"	47.012746
"226746"	283.12034	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+3H2O+2H"	56.04448
"1514806"	316.16289	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+IsoProp+H"	61.06479
"415584"	286.074288	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+Na+K"	61.952376
"772207"	413.623338	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+Na+K"	61.952376
"1668536"	158.525238	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Na+K"	61.952376
"256149"	574.211968	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+ACN+Na"	64.015768
"1232137"	319.113868	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+ACN+Na"	64.015768
"1714462"	319.137393	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+NH4+HCOOH"	64.039293
"1193558"	108.021918	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+3Na"	68.967654
"1664789"	324.092788	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Na+HCOOH"	68.994688
"172262"	587.11524	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+2K-H"	76.91904
"612181"	842.21334	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+2K-H"	76.91904
"1098152"	332.01714	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2K-H"	76.91904
"153874"	294.061258	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"2M+2K"	77.926316
"589058"	421.610308	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"3M+2K"	77.926316
"1080135"	166.512208	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2K"	77.926316
"1105691"	334.031692	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2K+H"	78.933592
"1338797"	334.119307	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+DMSO+H"	79.021207
"1005988"	338.158476	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2ACN+H"	83.060376
"1525816"	339.152108	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+IsoProp+Na+H"	84.054008
"992265"	169.582876	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+2ACN+2H"	84.067652
"1595155"	340.066728	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+K+HCOOH"	84.968628
"1414373"	370.098238	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+H+CF3COOH"	115.000138
"1153293"	190.096151	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+3ACN+2H"	125.094202
"1701751"	387.124785	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+NH4+CF3COOH"	132.026685
"1645056"	392.08018	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+Na+CF3COOH"	136.98208
"1578519"	408.05412	"C03150"	"Nicotinamide-beta-riboside;N-Ribosylnicotinamide;1-(beta-D-Ribofuranosyl)nicotinamide"	"C11H15N2O5"	"255.0981"	"M+K+CF3COOH"	152.95602
"804513"	160.0848	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M"	0
"981325"	141.06641	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-H2O-H"	-19.01839
"71754"	105.715924	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M-3H"	-3.021828
"505120"	159.077524	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M-3H"	-3.021828
"881463"	52.354324	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-3H"	-3.021828
"8784"	159.077524	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M-2H"	-2.014552
"450532"	239.119924	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M-2H"	-2.014552
"827243"	79.035124	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-2H"	-2.014552
"91609"	319.162324	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M-H"	-1.007276
"530074"	479.247124	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M-H"	-1.007276
"906784"	159.077524	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-H"	-1.007276
"54601"	336.188871	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M-2H+NH4"	16.019271
"497442"	496.273671	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M-2H+NH4"	16.019271
"875243"	176.104071	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-2H+NH4"	16.019271
"40953"	341.144266	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M-2H+Na"	20.974666
"480515"	501.229066	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M-2H+Na"	20.974666
"852849"	181.059466	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-2H+Na"	20.974666
"1621293"	181.059466	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Na-2H"	20.974666
"103293"	177.065863	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M-H+Cl"	33.962126
"538481"	257.108263	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M-H+Cl"	33.962126
"937468"	97.023463	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-H+Cl"	33.962126
"278214"	355.139002	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+Cl"	34.969402
"670268"	515.223802	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+Cl"	34.969402
"1280848"	195.054202	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Cl"	34.969402
"25592"	357.118206	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M-2H+K"	36.948606
"467705"	517.203006	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M-2H+K"	36.948606
"844048"	197.033406	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-2H+K"	36.948606
"1566444"	197.033406	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+K-2H"	36.948606
"956879"	205.082994	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-H+HCOOH"	44.998194
"375460"	365.167801	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+HCOOH-H"	44.998201
"356423"	379.183451	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+Hac-H"	59.013851
"1504162"	219.098651	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Hac-H"	59.013851
"969885"	227.064951	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-H+NaCOOH"	66.980151
"118429"	195.054202	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+2Cl"	69.938804
"561998"	275.096602	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+2Cl"	69.938804
"1031163"	115.011802	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2Cl"	69.938804
"1253293"	239.003685	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Br"	78.918885
"1317927"	241.059672	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Cl+HCOOH"	80.974872
"1329594"	263.041629	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Cl+NaCOOH"	102.956829
"926483"	273.070386	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M-H+CF3COOH"	112.985586
"1301003"	309.047064	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Cl+CF3COOH"	148.962264
"1380986"	125.072124	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H-2H2O"	-35.012676
"1393743"	143.0821	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H-H2O"	-17.0027
"292699"	321.176876	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+H"	1.007276
"687306"	481.261676	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+H"	1.007276
"1364390"	161.092076	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H"	1.007276
"130351"	161.092076	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+2H"	2.014552
"568091"	241.134476	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+2H"	2.014552
"1040537"	81.049676	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2H"	2.014552
"215367"	107.730476	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+3H"	3.021828
"649094"	161.092076	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+3H"	3.021828
"1168313"	54.368876	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+3H"	3.021828
"437791"	338.203423	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+NH4"	18.033823
"799515"	498.288223	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+NH4"	18.033823
"1694387"	178.118623	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+NH4"	18.033823
"339393"	169.6053495	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+H+NH4"	19.041099
"734000"	249.6477495	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+H+NH4"	19.041099
"1490009"	89.5629495	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H+NH4"	19.041099
"403221"	343.158818	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+Na"	22.989218
"766401"	503.243618	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+Na"	22.989218
"1612315"	183.074018	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Na"	22.989218
"326724"	172.083047	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+H+Na"	23.996494
"718052"	252.125447	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+H+Na"	23.996494
"1476203"	92.040647	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H+Na"	23.996494
"1066208"	61.69619	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2H+Na"	25.00377
"1265698"	193.118286	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+CH3OH+H"	33.033486
"385368"	359.132758	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+K"	38.963158
"751831"	519.217558	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+K"	38.963158
"1553519"	199.047958	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+K"	38.963158
"306690"	180.070017	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+H+K"	39.970434
"692556"	260.112417	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+H+K"	39.970434
"1451844"	100.027617	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H+K"	39.970434
"242634"	362.203426	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+ACN+H"	42.033826
"1214249"	202.118626	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+ACN+H"	42.033826
"1204693"	101.562951	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+ACN+2H"	43.041102
"192097"	365.14076	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+2Na-H"	44.97116
"632750"	525.22556	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+2Na-H"	44.97116
"1134068"	205.05596	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2Na-H"	44.97116
"179545"	183.074018	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+2Na"	45.978436
"618009"	263.116418	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+2Na"	45.978436
"1119329"	103.031618	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2Na"	45.978436
"1401759"	69.023504	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H+2Na"	46.985712
"1441528"	207.097546	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H+HCOOH"	47.012746
"226851"	188.10704	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+3H2O+2H"	56.04448
"1511633"	221.14959	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+IsoProp+H"	61.06479
"413508"	191.060988	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+Na+K"	61.952376
"774507"	271.103388	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+Na+K"	61.952376
"1673025"	111.018588	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Na+K"	61.952376
"256265"	384.185368	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+ACN+Na"	64.015768
"1239185"	224.100568	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+ACN+Na"	64.015768
"1724429"	224.124093	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+NH4+HCOOH"	64.039293
"1185409"	76.350818	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+3Na"	68.967654
"1662955"	229.079488	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Na+HCOOH"	68.994688
"164346"	397.08864	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+2K-H"	76.91904
"602815"	557.17344	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+2K-H"	76.91904
"1092795"	237.00384	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2K-H"	76.91904
"149613"	199.047958	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"2M+2K"	77.926316
"590267"	279.090358	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"3M+2K"	77.926316
"1074781"	119.005558	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2K"	77.926316
"1103248"	239.018392	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2K+H"	78.933592
"1337204"	239.106007	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+DMSO+H"	79.021207
"1007193"	243.145176	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2ACN+H"	83.060376
"1527750"	244.138808	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+IsoProp+Na+H"	84.054008
"992013"	122.076226	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+2ACN+2H"	84.067652
"1588705"	245.053428	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+K+HCOOH"	84.968628
"1420927"	275.084938	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+H+CF3COOH"	115.000138
"1151217"	142.589501	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+3ACN+2H"	125.094202
"1701862"	292.111485	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+NH4+CF3COOH"	132.026685
"1639700"	297.06688	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+Na+CF3COOH"	136.98208
"1574257"	313.04082	"C03153"	"N5-Methyl-L-glutamine"	"C6H12N2O3"	"160.0848"	"M+K+CF3COOH"	152.95602
"811185"	525.2646	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M"	0
"984716"	506.24621	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-H2O-H"	-19.01839
"74053"	349.169124	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M-3H"	-3.021828
"507054"	524.257324	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M-3H"	-3.021828
"885947"	174.080924	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-3H"	-3.021828
"12177"	524.257324	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M-2H"	-2.014552
"452831"	786.889624	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M-2H"	-2.014552
"830634"	261.625024	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-2H"	-2.014552
"92814"	1049.521924	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M-H"	-1.007276
"529829"	1574.786524	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M-H"	-1.007276
"910906"	524.257324	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-H"	-1.007276
"60177"	1066.548471	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M-2H+NH4"	16.019271
"498643"	1591.813071	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M-2H+NH4"	16.019271
"869886"	541.283871	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-2H+NH4"	16.019271
"36690"	1071.503866	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M-2H+Na"	20.974666
"482811"	1596.768466	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M-2H+Na"	20.974666
"854052"	546.239266	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-2H+Na"	20.974666
"1623590"	546.239266	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Na-2H"	20.974666
"105592"	542.245663	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M-H+Cl"	33.962126
"545154"	804.877963	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M-H+Cl"	33.962126
"940497"	279.613363	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-H+Cl"	33.962126
"281242"	1085.498602	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+Cl"	34.969402
"672202"	1610.763202	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+Cl"	34.969402
"1283145"	560.234002	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Cl"	34.969402
"26432"	1087.477806	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M-2H+K"	36.948606
"469636"	1612.742406	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M-2H+K"	36.948606
"844160"	562.213206	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-2H+K"	36.948606
"1566555"	562.213206	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+K-2H"	36.948606
"955531"	570.262794	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-H+HCOOH"	44.998194
"373748"	1095.527401	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+HCOOH-H"	44.998201
"359813"	1109.543051	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+Hac-H"	59.013851
"1504272"	584.278451	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Hac-H"	59.013851
"967440"	592.244751	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-H+NaCOOH"	66.980151
"113795"	560.234002	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+2Cl"	69.938804
"562840"	822.866302	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+2Cl"	69.938804
"1033462"	297.601702	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2Cl"	69.938804
"1253403"	604.183485	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Br"	78.918885
"1318766"	606.239472	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Cl+HCOOH"	80.974872
"1334322"	628.221429	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Cl+NaCOOH"	102.956829
"926229"	638.250186	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M-H+CF3COOH"	112.985586
"1301112"	674.226864	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Cl+CF3COOH"	148.962264
"1378908"	490.251924	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H-2H2O"	-35.012676
"1393853"	508.2619	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H-H2O"	-17.0027
"290621"	1051.536476	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+H"	1.007276
"684135"	1576.801076	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+H"	1.007276
"1364500"	526.271876	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H"	1.007276
"132284"	526.271876	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+2H"	2.014552
"568200"	788.904176	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+2H"	2.014552
"1043927"	263.639576	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2H"	2.014552
"214746"	351.183676	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+3H"	3.021828
"649204"	526.271876	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+3H"	3.021828
"1169515"	176.095476	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+3H"	3.021828
"438508"	1068.563023	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+NH4"	18.033823
"799261"	1593.827623	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+NH4"	18.033823
"1695960"	543.298423	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+NH4"	18.033823
"339503"	534.7851495	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+H+NH4"	19.041099
"734113"	797.4174495	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+H+NH4"	19.041099
"1485746"	272.1528495	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H+NH4"	19.041099
"405518"	1073.518418	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+Na"	22.989218
"765420"	1598.783018	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+Na"	22.989218
"1616800"	548.253818	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Na"	22.989218
"327929"	537.262847	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+H+Na"	23.996494
"722052"	799.895147	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+H+Na"	23.996494
"1476562"	274.630547	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H+Na"	23.996494
"1066318"	183.42279	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2H+Na"	25.00377
"1272498"	558.298086	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+CH3OH+H"	33.033486
"389852"	1089.492358	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+K"	38.963158
"753765"	1614.756958	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+K"	38.963158
"1553629"	564.227758	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+K"	38.963158
"311173"	545.249817	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+H+K"	39.970434
"694124"	807.882117	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+H+K"	39.970434
"1450862"	282.617517	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H+K"	39.970434
"246024"	1092.563026	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+ACN+H"	42.033826
"1214359"	567.298426	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+ACN+H"	42.033826
"1201523"	284.152851	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+ACN+2H"	43.041102
"192207"	1095.50036	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+2Na-H"	44.97116
"632862"	1620.76496	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+2Na-H"	44.97116
"1139645"	570.23576	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2Na-H"	44.97116
"181841"	548.253818	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+2Na"	45.978436
"618119"	810.886118	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+2Na"	45.978436
"1124906"	285.621518	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2Na"	45.978436
"1402961"	190.750104	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H+2Na"	46.985712
"1441642"	572.277346	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H+HCOOH"	47.012746
"231338"	553.28684	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+3H2O+2H"	56.04448
"1516119"	586.32939	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+IsoProp+H"	61.06479
"413620"	556.240788	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+Na+K"	61.952376
"778991"	818.873088	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+Na+K"	61.952376
"1672042"	293.608488	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Na+K"	61.952376
"255282"	1114.544968	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+ACN+Na"	64.015768
"1240027"	589.280368	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+ACN+Na"	64.015768
"1722352"	589.303893	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+NH4+HCOOH"	64.039293
"1188800"	198.077418	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+3Na"	68.967654
"1664160"	594.259288	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Na+HCOOH"	68.994688
"168830"	1127.44824	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+2K-H"	76.91904
"610579"	1652.71284	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+2K-H"	76.91904
"1095093"	602.18364	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2K-H"	76.91904
"151910"	564.227758	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"2M+2K"	77.926316
"590377"	826.860058	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"3M+2K"	77.926316
"1078172"	301.595458	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2K"	77.926316
"1102023"	604.198192	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2K+H"	78.933592
"1339019"	604.285807	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+DMSO+H"	79.021207
"1010829"	608.324976	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2ACN+H"	83.060376
"1527130"	609.318608	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+IsoProp+Na+H"	84.054008
"994310"	304.666126	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+2ACN+2H"	84.067652
"1588814"	610.233228	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+K+HCOOH"	84.968628
"1418850"	640.264738	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+H+CF3COOH"	115.000138
"1150233"	325.179401	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+3ACN+2H"	125.094202
"1703065"	657.291285	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+NH4+CF3COOH"	132.026685
"1639810"	662.24668	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+Na+CF3COOH"	136.98208
"1573274"	678.22062	"C03154"	"N6-Acetylkanamycin-B"	"C20H39N5O11"	"525.2646"	"M+K+CF3COOH"	152.95602
"804734"	386.0849	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M"	0
"979358"	367.06651	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-H2O-H"	-19.01839
"74162"	256.382657333333	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M-3H"	-3.021828
"506072"	385.077624	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M-3H"	-3.021828
"883871"	127.687690666667	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-3H"	-3.021828
"13260"	385.077624	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M-2H"	-2.014552
"452821"	578.120074	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M-2H"	-2.014552
"829651"	192.035174	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-2H"	-2.014552
"93168"	771.162524	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M-H"	-1.007276
"531762"	1157.247424	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M-H"	-1.007276
"907006"	385.077624	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-H"	-1.007276
"60287"	788.189071	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M-2H+NH4"	16.019271
"498754"	1174.273971	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M-2H+NH4"	16.019271
"875461"	402.104171	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-2H+NH4"	16.019271
"33520"	793.144466	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M-2H+Na"	20.974666
"478547"	1179.229366	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M-2H+Na"	20.974666
"850883"	407.059566	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-2H+Na"	20.974666
"1624794"	407.059566	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Na-2H"	20.974666
"103514"	403.065963	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M-H+Cl"	33.962126
"544536"	596.108413	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M-H+Cl"	33.962126
"942065"	210.023513	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-H+Cl"	33.962126
"280623"	807.139202	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+Cl"	34.969402
"672312"	1193.224102	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+Cl"	34.969402
"1282162"	421.054302	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Cl"	34.969402
"26542"	809.118406	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M-2H+K"	36.948606
"466467"	1195.203306	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M-2H+K"	36.948606
"843177"	423.033506	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-2H+K"	36.948606
"1562292"	423.033506	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+K-2H"	36.948606
"950175"	431.083094	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-H+HCOOH"	44.998194
"371671"	817.168001	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+HCOOH-H"	44.998201
"353363"	831.183651	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+Hac-H"	59.013851
"1502196"	445.098751	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Hac-H"	59.013851
"964998"	453.065051	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-H+NaCOOH"	66.980151
"113905"	421.054302	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+2Cl"	69.938804
"562583"	614.096752	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+2Cl"	69.938804
"1033207"	228.011852	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2Cl"	69.938804
"1254606"	465.003785	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Br"	78.918885
"1317417"	467.059772	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Cl+HCOOH"	80.974872
"1333459"	489.041729	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Cl+NaCOOH"	102.956829
"924151"	499.070486	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M-H+CF3COOH"	112.985586
"1296483"	535.047164	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Cl+CF3COOH"	148.962264
"1376830"	351.072224	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H-2H2O"	-35.012676
"1391047"	369.0822	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H-H2O"	-17.0027
"288544"	773.177076	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+H"	1.007276
"685339"	1159.261976	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+H"	1.007276
"1359506"	387.092176	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H"	1.007276
"130207"	387.092176	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+2H"	2.014552
"568676"	580.134626	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+2H"	2.014552
"1042943"	194.049726	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2H"	2.014552
"210846"	258.397209333333	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+3H"	3.021828
"652594"	387.092176	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+3H"	3.021828
"1167440"	129.702242666667	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+3H"	3.021828
"438374"	790.203623	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+NH4"	18.033823
"799738"	1176.288523	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+NH4"	18.033823
"1696909"	404.118723	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+NH4"	18.033823
"345199"	395.6054495	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+H+NH4"	19.041099
"738459"	588.6478995	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+H+NH4"	19.041099
"1490231"	202.5629995	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H+NH4"	19.041099
"406725"	795.159018	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+Na"	22.989218
"768812"	1181.243918	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+Na"	22.989218
"1616791"	409.074118	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Na"	22.989218
"329743"	398.083147	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+H+Na"	23.996494
"722407"	591.125597	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+H+Na"	23.996494
"1476918"	205.040697	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H+Na"	23.996494
"1068374"	137.029556666667	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2H+Na"	25.00377
"1272487"	419.118386	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+CH3OH+H"	33.033486
"391912"	811.132958	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+K"	38.963158
"753759"	1197.217858	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+K"	38.963158
"1551916"	425.048058	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+K"	38.963158
"311283"	406.070117	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+H+K"	39.970434
"699339"	599.112567	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+H+K"	39.970434
"1455345"	213.027667	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H+K"	39.970434
"248685"	814.203626	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+ACN+H"	42.033826
"1221029"	428.118726	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+ACN+H"	42.033826
"1208194"	214.563001	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+ACN+2H"	43.041102
"199973"	817.14096	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+2Na-H"	44.97116
"640262"	1203.22586	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+2Na-H"	44.97116
"1145953"	431.05606	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2Na-H"	44.97116
"187057"	409.074118	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+2Na"	45.978436
"626249"	602.116568	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+2Na"	45.978436
"1130852"	216.031668	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2Na"	45.978436
"1412186"	144.356870666667	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H+2Na"	46.985712
"1445035"	433.097646	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H+HCOOH"	47.012746
"234370"	414.10714	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+3H2O+2H"	56.04448
"1523969"	447.14969	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+IsoProp+H"	61.06479
"419197"	417.061088	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+Na+K"	61.952376
"781288"	610.103538	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+Na+K"	61.952376
"1675433"	224.018638	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Na+K"	61.952376
"260858"	836.185568	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+ACN+Na"	64.015768
"1240138"	450.100668	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+ACN+Na"	64.015768
"1727888"	450.124193	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+NH4+HCOOH"	64.039293
"1193775"	151.684184666667	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+3Na"	68.967654
"1665527"	455.079588	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Na+HCOOH"	68.994688
"167849"	849.08884	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+2K-H"	76.91904
"609596"	1235.17374	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+2K-H"	76.91904
"1095203"	463.00394	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2K-H"	76.91904
"154206"	425.048058	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"2M+2K"	77.926316
"592674"	618.090508	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"3M+2K"	77.926316
"1082657"	232.005608	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2K"	77.926316
"1107118"	465.018492	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2K+H"	78.933592
"1346783"	465.106107	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+DMSO+H"	79.021207
"1013126"	469.145276	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2ACN+H"	83.060376
"1529064"	470.138908	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+IsoProp+Na+H"	84.054008
"996607"	235.076276	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+2ACN+2H"	84.067652
"1590017"	471.053528	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+K+HCOOH"	84.968628
"1414949"	501.085038	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+H+CF3COOH"	115.000138
"1147669"	255.589551	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+3ACN+2H"	125.094202
"1700988"	518.111585	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+NH4+CF3COOH"	132.026685
"1639920"	523.06698	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+Na+CF3COOH"	136.98208
"1574477"	539.04092	"C03156"	"O-Feruloylgalactarate;O-Feruloylgalactaric acid;2-(E)-O-Feruloylgalactaric acid"	"C16H18O11"	"386.0849"	"M+K+CF3COOH"	152.95602
"801928"	971.1575	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M"	0
"981656"	952.13911	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H2O-H"	-19.01839
"74272"	646.431057333333	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-3H"	-3.021828
"507274"	970.150224	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-3H"	-3.021828
"886170"	322.711890666667	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-3H"	-3.021828
"11306"	970.150224	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H"	-2.014552
"453422"	1455.728974	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H"	-2.014552
"829762"	484.571474	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H"	-2.014552
"90853"	1941.307724	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-H"	-1.007276
"530047"	2912.465224	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-H"	-1.007276
"907116"	970.150224	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H"	-1.007276
"57119"	1958.334271	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H+NH4"	16.019271
"497771"	2929.491771	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H+NH4"	16.019271
"874479"	987.176771	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H+NH4"	16.019271
"35817"	1963.289666	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H+Na"	20.974666
"476470"	2934.447166	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H+Na"	20.974666
"853186"	992.132166	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H+Na"	20.974666
"1621990"	992.132166	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na-2H"	20.974666
"103624"	988.138563	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-H+Cl"	33.962126
"545375"	1473.717313	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-H+Cl"	33.962126
"939986"	502.559813	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+Cl"	33.962126
"279273"	1977.284402	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Cl"	34.969402
"670964"	2948.441902	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+Cl"	34.969402
"1281178"	1006.126902	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl"	34.969402
"24829"	1979.263606	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H+K"	36.948606
"464389"	2950.421106	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H+K"	36.948606
"842924"	1008.106106	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H+K"	36.948606
"1563497"	1008.106106	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K-2H"	36.948606
"950285"	1016.155694	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+HCOOH"	44.998194
"368502"	1987.313201	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+HCOOH-H"	44.998201
"352380"	2001.328851	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Hac-H"	59.013851
"1502307"	1030.171351	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Hac-H"	59.013851
"964015"	1038.137651	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+NaCOOH"	66.980151
"119848"	1006.126902	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2Cl"	69.938804
"564152"	1491.705652	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2Cl"	69.938804
"1031864"	520.548152	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2Cl"	69.938804
"1252170"	1050.076385	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Br"	78.918885
"1313525"	1052.132372	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl+HCOOH"	80.974872
"1333934"	1074.114329	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl+NaCOOH"	102.956829
"925116"	1084.143086	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+CF3COOH"	112.985586
"1296594"	1120.119764	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl+CF3COOH"	148.962264
"1374754"	936.144824	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H-2H2O"	-35.012676
"1386784"	954.1548	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H-H2O"	-17.0027
"286468"	1943.322276	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H"	1.007276
"676456"	2914.479776	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H"	1.007276
"1362534"	972.164776	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H"	1.007276
"129225"	972.164776	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2H"	2.014552
"572068"	1457.743526	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2H"	2.014552
"1041960"	486.586026	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2H"	2.014552
"208770"	648.445609333333	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+3H"	3.021828
"655622"	972.164776	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+3H"	3.021828
"1167550"	324.726442666667	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+3H"	3.021828
"436296"	1960.348823	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+NH4"	18.033823
"800213"	2931.506323	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+NH4"	18.033823
"1696423"	989.191323	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+NH4"	18.033823
"343004"	980.6780495	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H+NH4"	19.041099
"738100"	1466.2567995	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H+NH4"	19.041099
"1485966"	495.0992995	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+NH4"	19.041099
"406835"	1965.304218	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Na"	22.989218
"767829"	2936.461718	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+Na"	22.989218
"1615925"	994.146718	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na"	22.989218
"327782"	983.155747	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H+Na"	23.996494
"721423"	1468.734497	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H+Na"	23.996494
"1475120"	497.576997	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+Na"	23.996494
"1066423"	332.053756666667	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2H+Na"	25.00377
"1270772"	1004.190986	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+CH3OH+H"	33.033486
"390808"	1981.278158	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+K"	38.963158
"752527"	2952.435658	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+K"	38.963158
"1553128"	1010.120658	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K"	38.963158
"302649"	991.142717	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H+K"	39.970434
"697259"	1476.721467	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H+K"	39.970434
"1454360"	505.563967	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+K"	39.970434
"245150"	1984.348826	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+ACN+H"	42.033826
"1223329"	1013.191326	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+ACN+H"	42.033826
"1205755"	507.099301	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+ACN+2H"	43.041102
"199719"	1987.28616	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2Na-H"	44.97116
"638186"	2958.44366	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2Na-H"	44.97116
"1143513"	1016.12866	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2Na-H"	44.97116
"186074"	994.146718	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2Na"	45.978436
"625996"	1479.725468	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2Na"	45.978436
"1129139"	508.567968	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2Na"	45.978436
"1410479"	339.381070666667	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+2Na"	46.985712
"1442595"	1018.170246	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+HCOOH"	47.012746
"234478"	999.17974	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+3H2O+2H"	56.04448
"1521080"	1032.22229	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+IsoProp+H"	61.06479
"420403"	1002.133688	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Na+K"	61.952376
"780305"	1487.712438	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+Na+K"	61.952376
"1679918"	516.554938	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na+K"	61.952376
"266691"	2006.330768	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+ACN+Na"	64.015768
"1238787"	1035.173268	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+ACN+Na"	64.015768
"1728363"	1035.196793	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+NH4+HCOOH"	64.039293
"1190112"	346.708384666667	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+3Na"	68.967654
"1660005"	1040.152188	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na+HCOOH"	68.994688
"167961"	2019.23404	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2K-H"	76.91904
"610801"	2990.39154	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2K-H"	76.91904
"1097380"	1048.07654	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2K-H"	76.91904
"153220"	1010.120658	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2K"	77.926316
"593873"	1495.699408	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2K"	77.926316
"1077297"	524.541908	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2K"	77.926316
"1112693"	1050.091092	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2K+H"	78.933592
"1342517"	1050.178707	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+DMSO+H"	79.021207
"1012141"	1054.217876	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2ACN+H"	83.060376
"1526985"	1055.211508	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+IsoProp+Na+H"	84.054008
"996717"	527.612576	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2ACN+2H"	84.067652
"1592314"	1056.126128	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K+HCOOH"	84.968628
"1419072"	1086.157638	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+CF3COOH"	115.000138
"1150453"	548.125851	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+3ACN+2H"	125.094202
"1704378"	1103.184185	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+NH4+CF3COOH"	132.026685
"1640030"	1108.13958	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na+CF3COOH"	136.98208
"1574587"	1124.11352	"C03160"	"2-Succinylbenzoyl-CoA;o-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K+CF3COOH"	152.95602
"808238"	210.0681	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M"	0
"975574"	191.04971	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-H2O-H"	-19.01839
"65638"	139.038124	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M-3H"	-3.021828
"508479"	209.060824	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M-3H"	-3.021828
"888466"	69.015424	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-3H"	-3.021828
"14694"	209.060824	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M-2H"	-2.014552
"453161"	314.094874	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M-2H"	-2.014552
"826591"	104.026774	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-2H"	-2.014552
"92664"	419.128924	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M-H"	-1.007276
"530884"	629.197024	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M-H"	-1.007276
"909051"	209.060824	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-H"	-1.007276
"60144"	436.155471	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M-2H+NH4"	16.019271
"496788"	646.223571	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M-2H+NH4"	16.019271
"875684"	226.087371	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-2H+NH4"	16.019271
"38123"	441.110866	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M-2H+Na"	20.974666
"477685"	651.178966	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M-2H+Na"	20.974666
"856579"	231.042766	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-2H+Na"	20.974666
"1631948"	231.042766	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Na-2H"	20.974666
"107384"	227.049163	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M-H+Cl"	33.962126
"548406"	332.083213	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M-H+Cl"	33.962126
"939002"	122.015113	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-H+Cl"	33.962126
"281693"	455.105602	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+Cl"	34.969402
"669982"	665.173702	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+Cl"	34.969402
"1286398"	245.037502	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Cl"	34.969402
"29197"	457.084806	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M-2H+K"	36.948606
"469609"	667.152906	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M-2H+K"	36.948606
"847170"	247.016706	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-2H+K"	36.948606
"1568709"	247.016706	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+K-2H"	36.948606
"955136"	255.066294	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-H+HCOOH"	44.998194
"373716"	465.134401	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+HCOOH-H"	44.998201
"357964"	479.150051	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+Hac-H"	59.013851
"1505704"	269.081951	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Hac-H"	59.013851
"965588"	277.048251	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-H+NaCOOH"	66.980151
"119963"	245.037502	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+2Cl"	69.938804
"561714"	350.071552	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+2Cl"	69.938804
"1031607"	140.003452	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2Cl"	69.938804
"1255440"	288.986985	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Br"	78.918885
"1313635"	291.042972	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Cl+HCOOH"	80.974872
"1331130"	313.024929	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Cl+NaCOOH"	102.956829
"925346"	323.053686	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M-H+CF3COOH"	112.985586
"1299986"	359.030364	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Cl+CF3COOH"	148.962264
"1373044"	175.055424	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H-2H2O"	-35.012676
"1387987"	193.0654	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H-H2O"	-17.0027
"296062"	421.143476	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+H"	1.007276
"683744"	631.211576	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+H"	1.007276
"1362646"	211.075376	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H"	1.007276
"131525"	211.075376	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+2H"	2.014552
"579837"	316.109426	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+2H"	2.014552
"1051917"	106.041326	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2H"	2.014552
"218729"	141.052676	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+3H"	3.021828
"659797"	211.075376	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+3H"	3.021828
"1177640"	71.029976	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+3H"	3.021828
"439738"	438.170023	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+NH4"	18.033823
"800569"	648.238123	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+NH4"	18.033823
"1694833"	228.101923	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+NH4"	18.033823
"343843"	219.5886495	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+H+NH4"	19.041099
"738051"	324.6226995	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+H+NH4"	19.041099
"1491911"	114.5545995	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H+NH4"	19.041099
"406940"	443.125418	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+Na"	22.989218
"766846"	653.193518	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+Na"	22.989218
"1613850"	233.057318	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Na"	22.989218
"326803"	222.066347	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+H+Na"	23.996494
"721414"	327.100397	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+H+Na"	23.996494
"1475472"	117.032297	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H+Na"	23.996494
"1067018"	78.35729	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2H+Na"	25.00377
"1270517"	243.101586	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+CH3OH+H"	33.033486
"384721"	459.099358	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+K"	38.963158
"743530"	669.167458	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+K"	38.963158
"1544492"	249.031258	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+K"	38.963158
"304950"	230.053317	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+H+K"	39.970434
"695183"	335.087367	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+H+K"	39.970434
"1455565"	125.019267	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H+K"	39.970434
"246357"	462.170026	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+ACN+H"	42.033826
"1219063"	252.101926	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+ACN+H"	42.033826
"1201853"	126.554601	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+ACN+2H"	43.041102
"193632"	465.10736	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+2Na-H"	44.97116
"635380"	675.17546	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+2Na-H"	44.97116
"1139978"	255.03926	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2Na-H"	44.97116
"182175"	233.057318	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+2Na"	45.978436
"626108"	338.091368	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+2Na"	45.978436
"1126333"	128.023268	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2Na"	45.978436
"1410223"	85.684604	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H+2Na"	46.985712
"1439787"	257.080846	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H+HCOOH"	47.012746
"230213"	238.09034	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+3H2O+2H"	56.04448
"1518640"	271.13289	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+IsoProp+H"	61.06479
"420516"	241.044288	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+Na+K"	61.952376
"784797"	346.078338	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+Na+K"	61.952376
"1679668"	136.010238	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Na+K"	61.952376
"266560"	484.151968	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+ACN+Na"	64.015768
"1239632"	274.083868	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+ACN+Na"	64.015768
"1726327"	274.107393	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+NH4+HCOOH"	64.039293
"1191316"	93.011918	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+3Na"	68.967654
"1663032"	279.062788	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Na+HCOOH"	68.994688
"169895"	497.05524	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+2K-H"	76.91904
"609453"	707.12334	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+2K-H"	76.91904
"1095422"	286.98714	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2K-H"	76.91904
"155034"	249.031258	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"2M+2K"	77.926316
"594837"	354.065308	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"3M+2K"	77.926316
"1081053"	143.997208	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2K"	77.926316
"1112808"	289.001692	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2K+H"	78.933592
"1342632"	289.089307	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+DMSO+H"	79.021207
"1015534"	293.128476	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2ACN+H"	83.060376
"1531472"	294.122108	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+IsoProp+Na+H"	84.054008
"997922"	147.067876	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+2ACN+2H"	84.067652
"1589144"	295.036728	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+K+HCOOH"	84.968628
"1415894"	325.068238	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+H+CF3COOH"	115.000138
"1147641"	167.581151	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+3ACN+2H"	125.094202
"1697927"	342.094785	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+NH4+CF3COOH"	132.026685
"1640144"	347.05018	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+Na+CF3COOH"	136.98208
"1574701"	363.02412	"C03164"	"Phenanthrene-34-diol;34-Dihydroxyphenanthrene"	"C14H10O2"	"210.0681"	"M+K+CF3COOH"	152.95602
"814910"	197.0202	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M"	0
"982974"	178.00181	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-H2O-H"	-19.01839
"66113"	130.339524	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M-3H"	-3.021828
"508589"	196.012924	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M-3H"	-3.021828
"887483"	64.666124	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-3H"	-3.021828
"7151"	196.012924	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M-2H"	-2.014552
"453272"	294.523024	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M-2H"	-2.014552
"827795"	97.502824	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-2H"	-2.014552
"91800"	393.033124	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M-H"	-1.007276
"528442"	590.053324	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M-H"	-1.007276
"908798"	196.012924	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-H"	-1.007276
"60619"	410.059671	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M-2H+NH4"	16.019271
"494711"	607.079871	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M-2H+NH4"	16.019271
"875430"	213.039471	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-2H+NH4"	16.019271
"34953"	415.015066	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M-2H+Na"	20.974666
"477795"	612.035266	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M-2H+Na"	20.974666
"854503"	217.994866	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-2H+Na"	20.974666
"1632422"	217.994866	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Na-2H"	20.974666
"109197"	214.001263	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M-H+Cl"	33.962126
"548758"	312.511363	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M-H+Cl"	33.962126
"942155"	115.491163	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-H+Cl"	33.962126
"281925"	429.009802	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+Cl"	34.969402
"670092"	626.030002	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+Cl"	34.969402
"1287481"	231.989602	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Cl"	34.969402
"30523"	430.989006	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M-2H+K"	36.948606
"470328"	628.009206	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M-2H+K"	36.948606
"846796"	233.968806	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-2H+K"	36.948606
"1568089"	233.968806	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+K-2H"	36.948606
"954515"	242.018394	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-H+HCOOH"	44.998194
"370908"	439.038601	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+HCOOH-H"	44.998201
"358803"	453.054251	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+Hac-H"	59.013851
"1502528"	256.034051	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Hac-H"	59.013851
"969708"	264.000351	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-H+NaCOOH"	66.980151
"122991"	231.989602	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+2Cl"	69.938804
"562549"	330.499702	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+2Cl"	69.938804
"1035729"	133.479502	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2Cl"	69.938804
"1255667"	275.939085	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Br"	78.918885
"1315932"	277.995072	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Cl+HCOOH"	80.974872
"1332333"	299.977029	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Cl+NaCOOH"	102.956829
"925091"	310.005786	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M-H+CF3COOH"	112.985586
"1298640"	345.982464	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Cl+CF3COOH"	148.962264
"1376069"	162.007524	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H-2H2O"	-35.012676
"1388097"	180.0175	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H-H2O"	-17.0027
"296172"	395.047676	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+H"	1.007276
"686406"	592.067876	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+H"	1.007276
"1363120"	198.027476	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H"	1.007276
"134915"	198.027476	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+2H"	2.014552
"578854"	296.537576	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+2H"	2.014552
"1051664"	99.517376	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2H"	2.014552
"218839"	132.354076	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+3H"	3.021828
"658773"	198.027476	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+3H"	3.021828
"1177868"	66.680676	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+3H"	3.021828
"438953"	412.074223	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+NH4"	18.033823
"799340"	609.094423	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+NH4"	18.033823
"1695308"	215.054023	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+NH4"	18.033823
"344319"	206.5407495	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+H+NH4"	19.041099
"738159"	305.0508495	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+H+NH4"	19.041099
"1492696"	108.0306495	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H+NH4"	19.041099
"407051"	417.029618	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+Na"	22.989218
"766956"	614.049818	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+Na"	22.989218
"1616877"	220.009418	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Na"	22.989218
"327277"	209.018447	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+H+Na"	23.996494
"721519"	307.528547	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+H+Na"	23.996494
"1472428"	110.508347	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H+Na"	23.996494
"1066399"	74.00799	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2H+Na"	25.00377
"1272375"	230.053686	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+CH3OH+H"	33.033486
"388111"	433.003558	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+K"	38.963158
"740360"	630.023758	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+K"	38.963158
"1550072"	235.983358	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+K"	38.963158
"311621"	217.005417	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+H+K"	39.970434
"701855"	315.515517	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+H+K"	39.970434
"1458955"	118.495317	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H+K"	39.970434
"245372"	436.074226	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+ACN+H"	42.033826
"1218082"	239.054026	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+ACN+H"	42.033826
"1205245"	120.030651	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+ACN+2H"	43.041102
"203344"	439.01156	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+2Na-H"	44.97116
"640595"	636.03176	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+2Na-H"	44.97116
"1143008"	241.99136	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2Na-H"	44.97116
"184110"	220.009418	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+2Na"	45.978436
"625126"	318.519518	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+2Na"	45.978436
"1128996"	121.499318	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2Na"	45.978436
"1412522"	81.335304	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H+2Na"	46.985712
"1440991"	244.032946	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H+HCOOH"	47.012746
"232509"	225.04244	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+3H2O+2H"	56.04448
"1523125"	258.08499	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+IsoProp+H"	61.06479
"420626"	227.996388	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+Na+K"	61.952376
"784177"	326.506488	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+Na+K"	61.952376
"1679414"	129.486288	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Na+K"	61.952376
"266185"	458.056168	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+ACN+Na"	64.015768
"1239016"	261.035968	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+ACN+Na"	64.015768
"1725345"	261.059493	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+NH4+HCOOH"	64.039293
"1189971"	88.662618	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+3Na"	68.967654
"1661322"	266.014888	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Na+HCOOH"	68.994688
"168914"	470.95944	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+2K-H"	76.91904
"608472"	667.97964	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+2K-H"	76.91904
"1096628"	273.93924	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2K-H"	76.91904
"152350"	235.983358	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"2M+2K"	77.926316
"594096"	334.493458	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"3M+2K"	77.926316
"1080798"	137.473258	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2K"	77.926316
"1110727"	275.953792	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2K+H"	78.933592
"1346018"	276.041407	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+DMSO+H"	79.021207
"1015644"	280.080576	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2ACN+H"	83.060376
"1533772"	281.074208	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+IsoProp+Na+H"	84.054008
"999125"	140.543926	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+2ACN+2H"	84.067652
"1589254"	281.988828	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+K+HCOOH"	84.968628
"1417100"	312.020338	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+H+CF3COOH"	115.000138
"1147226"	161.057201	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+3ACN+2H"	125.094202
"1698037"	329.046885	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+NH4+CF3COOH"	132.026685
"1640254"	334.00228	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+Na+CF3COOH"	136.98208
"1572624"	349.97622	"C03166"	"Phosphoguanidinoacetate;Guanidinoacetate phosphate"	"C3H8N3O5P"	"197.0202"	"M+K+CF3COOH"	152.95602
"815019"	123.9925	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M"	0
"986366"	104.97411	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-H2O-H"	-19.01839
"68046"	81.6543906666667	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M-3H"	-3.021828
"510888"	122.985224	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M-3H"	-3.021828
"889782"	40.3235573333333	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-3H"	-3.021828
"10543"	122.985224	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M-2H"	-2.014552
"451196"	184.981474	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M-2H"	-2.014552
"825719"	60.988974	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-2H"	-2.014552
"91178"	246.977724	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M-H"	-1.007276
"529644"	370.970224	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M-H"	-1.007276
"909272"	122.985224	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-H"	-1.007276
"60365"	264.004271	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M-2H+NH4"	16.019271
"496644"	387.996771	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M-2H+NH4"	16.019271
"871527"	140.011771	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-2H+NH4"	16.019271
"43810"	268.959666	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M-2H+Na"	20.974666
"486617"	392.952166	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M-2H+Na"	20.974666
"860079"	144.967166	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-2H+Na"	20.974666
"1633588"	144.967166	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Na-2H"	20.974666
"109844"	140.973563	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M-H+Cl"	33.962126
"549845"	202.969813	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M-H+Cl"	33.962126
"942635"	78.977313	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-H+Cl"	33.962126
"282403"	282.954402	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+Cl"	34.969402
"674333"	406.946902	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+Cl"	34.969402
"1288362"	158.961902	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Cl"	34.969402
"31248"	284.933606	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M-2H+K"	36.948606
"471206"	408.926106	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M-2H+K"	36.948606
"848437"	160.941106	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-2H+K"	36.948606
"1569659"	160.941106	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+K-2H"	36.948606
"957544"	168.990694	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-H+HCOOH"	44.998194
"377079"	292.983201	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+HCOOH-H"	44.998201
"358913"	306.998851	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+Hac-H"	59.013851
"1502638"	183.006351	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Hac-H"	59.013851
"972372"	190.972651	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-H+NaCOOH"	66.980151
"124928"	158.961902	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+2Cl"	69.938804
"564486"	220.958152	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+2Cl"	69.938804
"1036448"	96.965652	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2Cl"	69.938804
"1254686"	202.911385	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Br"	78.918885
"1316409"	204.967372	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Cl+HCOOH"	80.974872
"1333173"	226.949329	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Cl+NaCOOH"	102.956829
"924595"	236.978086	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M-H+CF3COOH"	112.985586
"1300572"	272.954764	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Cl+CF3COOH"	148.962264
"1375086"	88.979824	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H-2H2O"	-35.012676
"1388207"	106.9898	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H-H2O"	-17.0027
"296282"	248.992276	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+H"	1.007276
"683236"	372.984776	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+H"	1.007276
"1362502"	124.999776	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H"	1.007276
"131017"	124.999776	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+2H"	2.014552
"579694"	186.996026	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+2H"	2.014552
"1050316"	63.003526	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2H"	2.014552
"218949"	83.6689426666667	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+3H"	3.021828
"659904"	124.999776	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+3H"	3.021828
"1177247"	42.3381093333333	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+3H"	3.021828
"438092"	266.018823	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+NH4"	18.033823
"795437"	390.011323	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+NH4"	18.033823
"1696513"	142.026323	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+NH4"	18.033823
"345361"	133.5130495	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+H+NH4"	19.041099
"736850"	195.5092995	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+H+NH4"	19.041099
"1489942"	71.5167995	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H+NH4"	19.041099
"408532"	270.974218	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+Na"	22.989218
"768890"	394.966718	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+Na"	22.989218
"1618285"	146.981718	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Na"	22.989218
"328480"	135.990747	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+H+Na"	23.996494
"722320"	197.986997	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+H+Na"	23.996494
"1473629"	73.994497	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H+Na"	23.996494
"1066513"	49.6654233333333	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2H+Na"	25.00377
"1272200"	157.025986	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+CH3OH+H"	33.033486
"388221"	286.948158	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+K"	38.963158
"749222"	410.940658	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+K"	38.963158
"1553830"	162.955658	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+K"	38.963158
"313884"	143.977717	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+H+K"	39.970434
"705247"	205.973967	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+H+K"	39.970434
"1460527"	81.981467	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H+K"	39.970434
"249857"	290.018826	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+ACN+H"	42.033826
"1216005"	166.026326	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+ACN+H"	42.033826
"1205355"	83.516801	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+ACN+2H"	43.041102
"200778"	292.95616	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+2Na-H"	44.97116
"637789"	416.94866	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+2Na-H"	44.97116
"1141294"	168.96366	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2Na-H"	44.97116
"187380"	146.981718	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+2Na"	45.978436
"627671"	208.977968	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+2Na"	45.978436
"1130937"	84.985468	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2Na"	45.978436
"1413848"	56.9927373333333	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H+2Na"	46.985712
"1442925"	171.005246	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H+HCOOH"	47.012746
"233714"	152.01474	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+3H2O+2H"	56.04448
"1523114"	185.05729	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+IsoProp+H"	61.06479
"423865"	154.968688	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+Na+K"	61.952376
"784903"	216.964938	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+Na+K"	61.952376
"1680253"	92.972438	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Na+K"	61.952376
"266822"	312.000768	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+ACN+Na"	64.015768
"1241262"	188.008268	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+ACN+Na"	64.015768
"1723997"	188.031793	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+NH4+HCOOH"	64.039293
"1190446"	64.3200513333333	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+3Na"	68.967654
"1663621"	192.987188	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Na+HCOOH"	68.994688
"169755"	324.90404	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+2K-H"	76.91904
"610041"	448.89654	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+2K-H"	76.91904
"1097469"	200.91154	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2K-H"	76.91904
"154648"	162.955658	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"2M+2K"	77.926316
"595302"	224.951908	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"3M+2K"	77.926316
"1081641"	100.959408	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2K"	77.926316
"1113389"	202.926092	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2K+H"	78.933592
"1349409"	203.013707	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+DMSO+H"	79.021207
"1017578"	207.052876	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2ACN+H"	83.060376
"1532789"	208.046508	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+IsoProp+Na+H"	84.054008
"998141"	104.030076	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+2ACN+2H"	84.067652
"1598112"	208.961128	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+K+HCOOH"	84.968628
"1416484"	238.992638	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+H+CF3COOH"	115.000138
"1149321"	124.543351	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+3ACN+2H"	125.094202
"1698511"	256.019185	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+NH4+CF3COOH"	132.026685
"1637446"	260.97458	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+Na+CF3COOH"	136.98208
"1573098"	276.94852	"C03167"	"Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate"	"C2H5O4P"	"123.9925"	"M+K+CF3COOH"	152.95602
"803100"	213.0875	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M"	0
"978819"	194.06911	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-H2O-H"	-19.01839
"75811"	141.051057333333	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M-3H"	-3.021828
"512089"	212.080224	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M-3H"	-3.021828
"886610"	70.0218906666667	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-3H"	-3.021828
"10653"	212.080224	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M-2H"	-2.014552
"451309"	318.623974	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M-2H"	-2.014552
"825830"	105.536474	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-2H"	-2.014552
"88008"	425.167724	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M-H"	-1.007276
"527568"	638.255224	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M-H"	-1.007276
"905006"	212.080224	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-H"	-1.007276
"57923"	442.194271	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M-2H+NH4"	16.019271
"498213"	655.281771	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M-2H+NH4"	16.019271
"873834"	229.106771	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-2H+NH4"	16.019271
"46113"	447.149666	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M-2H+Na"	20.974666
"486281"	660.237166	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M-2H+Na"	20.974666
"863932"	234.062166	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-2H+Na"	20.974666
"1633951"	234.062166	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Na-2H"	20.974666
"109548"	230.068563	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M-H+Cl"	33.962126
"549759"	336.612313	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M-H+Cl"	33.962126
"942585"	123.524813	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-H+Cl"	33.962126
"280806"	461.144402	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+Cl"	34.969402
"673593"	674.231902	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+Cl"	34.969402
"1288427"	248.056902	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Cl"	34.969402
"30010"	463.123606	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M-2H+K"	36.948606
"471033"	676.211106	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M-2H+K"	36.948606
"848195"	250.036106	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-2H+K"	36.948606
"1571027"	250.036106	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+K-2H"	36.948606
"957896"	258.085694	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-H+HCOOH"	44.998194
"374046"	471.173201	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+HCOOH-H"	44.998201
"360724"	485.188851	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+Hac-H"	59.013851
"1504938"	272.101351	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Hac-H"	59.013851
"972482"	280.067651	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-H+NaCOOH"	66.980151
"123576"	248.056902	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+2Cl"	69.938804
"564475"	354.600652	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+2Cl"	69.938804
"1036310"	141.513152	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2Cl"	69.938804
"1255887"	292.006385	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Br"	78.918885
"1316876"	294.062372	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Cl+HCOOH"	80.974872
"1333279"	316.044329	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Cl+NaCOOH"	102.956829
"923608"	326.073086	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M-H+CF3COOH"	112.985586
"1295943"	362.049764	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Cl+CF3COOH"	148.962264
"1374102"	178.074824	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H-2H2O"	-35.012676
"1397807"	196.0848	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H-H2O"	-17.0027
"297735"	427.182276	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+H"	1.007276
"690642"	640.269776	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+H"	1.007276
"1365895"	214.094776	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H"	1.007276
"140619"	214.094776	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+2H"	2.014552
"580906"	320.638526	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+2H"	2.014552
"1048604"	107.551026	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2H"	2.014552
"219307"	143.065609333333	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+3H"	3.021828
"659601"	214.094776	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+3H"	3.021828
"1177479"	72.0364426666667	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+3H"	3.021828
"437958"	444.208823	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+NH4"	18.033823
"798474"	657.296323	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+NH4"	18.033823
"1693711"	231.121323	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+NH4"	18.033823
"343689"	222.6080495	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+H+NH4"	19.041099
"736716"	329.1517995	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+H+NH4"	19.041099
"1488230"	116.0642995	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H+NH4"	19.041099
"400714"	449.164218	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+Na"	22.989218
"766084"	662.251718	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+Na"	22.989218
"1617096"	236.076718	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Na"	22.989218
"325310"	225.085747	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+H+Na"	23.996494
"716639"	331.629497	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+H+Na"	23.996494
"1473739"	118.541997	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H+Na"	23.996494
"1067351"	79.3637566666667	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2H+Na"	25.00377
"1263198"	246.120986	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+CH3OH+H"	33.033486
"379588"	465.138158	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+K"	38.963158
"739852"	678.225658	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+K"	38.963158
"1548103"	252.050658	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+K"	38.963158
"305279"	233.072717	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+H+K"	39.970434
"698795"	339.616467	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+H+K"	39.970434
"1455900"	126.528967	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H+K"	39.970434
"245596"	468.208826	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+ACN+H"	42.033826
"1219397"	255.121326	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+ACN+H"	42.033826
"1202186"	128.064301	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+ACN+2H"	43.041102
"199433"	471.14616	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+2Na-H"	44.97116
"636807"	684.23366	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+2Na-H"	44.97116
"1137032"	258.05866	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2Na-H"	44.97116
"181415"	236.076718	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+2Na"	45.978436
"622068"	342.620468	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+2Na"	45.978436
"1127394"	129.532968	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2Na"	45.978436
"1411285"	86.6910706666667	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H+2Na"	46.985712
"1435746"	260.100246	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H+HCOOH"	47.012746
"225442"	241.10974	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+3H2O+2H"	56.04448
"1517881"	274.15229	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+IsoProp+H"	61.06479
"420848"	244.063688	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+Na+K"	61.952376
"784885"	350.607438	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+Na+K"	61.952376
"1679998"	137.519938	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Na+K"	61.952376
"267051"	490.190768	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+ACN+Na"	64.015768
"1239842"	277.103268	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+ACN+Na"	64.015768
"1725933"	277.126793	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+NH4+HCOOH"	64.039293
"1191652"	94.0183846666667	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+3Na"	68.967654
"1663367"	282.082188	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Na+HCOOH"	68.994688
"170223"	503.09404	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+2K-H"	76.91904
"610151"	716.18154	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+2K-H"	76.91904
"1097580"	290.00654	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2K-H"	76.91904
"154759"	252.050658	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"2M+2K"	77.926316
"593955"	358.594408	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"3M+2K"	77.926316
"1078833"	145.506908	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2K"	77.926316
"1109493"	292.021092	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2K+H"	78.933592
"1341867"	292.108707	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+DMSO+H"	79.021207
"1012583"	296.147876	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2ACN+H"	83.060376
"1530712"	297.141508	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+IsoProp+Na+H"	84.054008
"997157"	148.577576	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+2ACN+2H"	84.067652
"1590570"	298.056128	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+K+HCOOH"	84.968628
"1417321"	328.087638	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+H+CF3COOH"	115.000138
"1149796"	169.090851	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+3ACN+2H"	125.094202
"1703728"	345.114185	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+NH4+CF3COOH"	132.026685
"1640474"	350.06958	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+Na+CF3COOH"	136.98208
"1573209"	366.04352	"C03169"	"Pyrimidine nucleoside;N-D-Ribosylpyrimidine"	"C9H13N2O4"	"213.0875"	"M+K+CF3COOH"	152.95602
"805397"	721.2887	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M"	0
"975649"	702.27031	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-H2O-H"	-19.01839
"77015"	479.851857333333	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M-3H"	-3.021828
"512199"	720.281424	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M-3H"	-3.021828
"887813"	239.422290666667	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-3H"	-3.021828
"11857"	720.281424	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M-2H"	-2.014552
"449232"	1080.925774	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M-2H"	-2.014552
"830679"	359.637074	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-2H"	-2.014552
"90305"	1441.570124	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M-H"	-1.007276
"531688"	2162.858824	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M-H"	-1.007276
"906575"	720.281424	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-H"	-1.007276
"58398"	1458.596671	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M-2H+NH4"	16.019271
"500146"	2179.885371	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M-2H+NH4"	16.019271
"870663"	737.307971	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-2H+NH4"	16.019271
"45737"	1463.552066	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M-2H+Na"	20.974666
"484686"	2184.840766	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M-2H+Na"	20.974666
"863709"	742.263366	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-2H+Na"	20.974666
"1631905"	742.263366	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Na-2H"	20.974666
"108681"	738.269763	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M-H+Cl"	33.962126
"542649"	1098.914113	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M-H+Cl"	33.962126
"939444"	377.625413	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-H+Cl"	33.962126
"279093"	1477.546802	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+Cl"	34.969402
"672608"	2198.835502	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+Cl"	34.969402
"1287446"	756.258102	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Cl"	34.969402
"29879"	1479.526006	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M-2H+K"	36.948606
"469559"	2200.814706	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M-2H+K"	36.948606
"844933"	758.237306	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-2H+K"	36.948606
"1569147"	758.237306	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+K-2H"	36.948606
"955205"	766.286894	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-H+HCOOH"	44.998194
"371233"	1487.575601	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+HCOOH-H"	44.998201
"349646"	1501.591251	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+Hac-H"	59.013851
"1505043"	780.302551	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Hac-H"	59.013851
"969306"	788.268851	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-H+NaCOOH"	66.980151
"118216"	756.258102	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+2Cl"	69.938804
"557775"	1116.902452	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+2Cl"	69.938804
"1029856"	395.613752	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2Cl"	69.938804
"1247247"	800.207585	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Br"	78.918885
"1308602"	802.263572	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Cl+HCOOH"	80.974872
"1330471"	824.245529	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Cl+NaCOOH"	102.956829
"916062"	834.274286	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M-H+CF3COOH"	112.985586
"1293864"	870.250964	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Cl+CF3COOH"	148.962264
"1368378"	686.276024	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H-2H2O"	-35.012676
"1395724"	704.286	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H-H2O"	-17.0027
"290307"	1443.584676	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+H"	1.007276
"683821"	2164.873376	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+H"	1.007276
"1360171"	722.295976	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H"	1.007276
"131967"	722.295976	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+2H"	2.014552
"580773"	1082.940326	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+2H"	2.014552
"1049806"	361.651626	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2H"	2.014552
"218815"	481.866409333333	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+3H"	3.021828
"659585"	722.295976	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+3H"	3.021828
"1177468"	241.436842666667	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+3H"	3.021828
"439406"	1460.611223	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+NH4"	18.033823
"796754"	2181.899923	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+NH4"	18.033823
"1693821"	739.322523	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+NH4"	18.033823
"345138"	730.8092495	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+H+NH4"	19.041099
"737557"	1091.4535995	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+H+NH4"	19.041099
"1490526"	370.1648995	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H+NH4"	19.041099
"407020"	1465.566618	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+Na"	22.989218
"765100"	2186.855318	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+Na"	22.989218
"1615751"	744.277918	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Na"	22.989218
"329068"	733.286947	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+H+Na"	23.996494
"721735"	1093.931297	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+H+Na"	23.996494
"1472752"	372.642597	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H+Na"	23.996494
"1067458"	248.764156666667	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2H+Na"	25.00377
"1265495"	754.322186	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+CH3OH+H"	33.033486
"379698"	1481.540558	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+K"	38.963158
"738747"	2202.829258	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+K"	38.963158
"1548213"	760.251858	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+K"	38.963158
"307576"	741.273917	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+H+K"	39.970434
"706686"	1101.918267	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+H+K"	39.970434
"1458194"	380.629567	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H+K"	39.970434
"248982"	1484.611226	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+ACN+H"	42.033826
"1223150"	763.322526	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+ACN+H"	42.033826
"1200109"	382.164901	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+ACN+2H"	43.041102
"194072"	1487.54856	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+2Na-H"	44.97116
"638008"	2208.83726	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+2Na-H"	44.97116
"1139329"	766.25986	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2Na-H"	44.97116
"179698"	744.277918	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+2Na"	45.978436
"622176"	1104.922268	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+2Na"	45.978436
"1127870"	383.633568	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2Na"	45.978436
"1411395"	256.091470666667	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H+2Na"	46.985712
"1445094"	768.301446	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H+HCOOH"	47.012746
"231021"	749.31094	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+3H2O+2H"	56.04448
"1517991"	782.35349	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+IsoProp+H"	61.06479
"420958"	752.264888	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+Na+K"	61.952376
"785119"	1112.909238	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+Na+K"	61.952376
"1681225"	391.620538	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Na+K"	61.952376
"266399"	1506.593168	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+ACN+Na"	64.015768
"1240074"	785.304468	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+ACN+Na"	64.015768
"1727018"	785.327993	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+NH4+HCOOH"	64.039293
"1192493"	263.418784666667	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+3Na"	68.967654
"1664208"	790.283388	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Na+HCOOH"	68.994688
"168878"	1519.49644	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+2K-H"	76.91904
"610262"	2240.78514	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+2K-H"	76.91904
"1097327"	798.20774	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2K-H"	76.91904
"155237"	760.251858	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"2M+2K"	77.926316
"594067"	1120.896208	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"3M+2K"	77.926316
"1081133"	399.607508	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2K"	77.926316
"1111061"	800.222292	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2K+H"	78.933592
"1348540"	800.309907	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+DMSO+H"	79.021207
"1018891"	804.349076	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2ACN+H"	83.060376
"1534099"	805.342708	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+IsoProp+Na+H"	84.054008
"998362"	402.678176	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+2ACN+2H"	84.067652
"1601247"	806.257328	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+K+HCOOH"	84.968628
"1417430"	836.288838	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+H+CF3COOH"	115.000138
"1153186"	423.191451	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+3ACN+2H"	125.094202
"1704932"	853.315385	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+NH4+CF3COOH"	132.026685
"1640584"	858.27078	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+Na+CF3COOH"	136.98208
"1573319"	874.24472	"C03170"	"Trypanothione disulfide;Oxidized trypanothione"	"C27H47N9O10S2"	"721.2887"	"M+K+CF3COOH"	152.95602
"812069"	164.0745	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M"	0
"987789"	145.05611	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-H2O-H"	-19.01839
"73843"	108.375724	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M-3H"	-3.021828
"512310"	163.067224	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M-3H"	-3.021828
"890113"	53.684224	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-3H"	-3.021828
"10874"	163.067224	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M-2H"	-2.014552
"446062"	245.104474	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M-2H"	-2.014552
"824957"	81.029974	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-2H"	-2.014552
"87135"	327.141724	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M-H"	-1.007276
"529611"	491.216224	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M-H"	-1.007276
"905590"	163.067224	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-H"	-1.007276
"58507"	344.168271	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M-2H+NH4"	16.019271
"499160"	508.242771	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M-2H+NH4"	16.019271
"870773"	180.093771	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-2H+NH4"	16.019271
"45236"	349.123666	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M-2H+Na"	20.974666
"482609"	513.198166	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M-2H+Na"	20.974666
"863459"	185.049166	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-2H+Na"	20.974666
"1632133"	185.049166	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Na-2H"	20.974666
"108792"	181.055563	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M-H+Cl"	33.962126
"549083"	263.092813	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M-H+Cl"	33.962126
"940406"	99.018313	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-H+Cl"	33.962126
"281517"	363.118402	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+Cl"	34.969402
"674422"	527.192902	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+Cl"	34.969402
"1287314"	199.043902	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Cl"	34.969402
"28775"	365.097606	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M-2H+K"	36.948606
"470520"	529.172106	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M-2H+K"	36.948606
"845043"	201.023106	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-2H+K"	36.948606
"1564156"	201.023106	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+K-2H"	36.948606
"952035"	209.072694	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-H+HCOOH"	44.998194
"369156"	373.147201	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+HCOOH-H"	44.998201
"348664"	387.162851	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+Hac-H"	59.013851
"1499689"	223.088351	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Hac-H"	59.013851
"967231"	231.054651	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-H+NaCOOH"	66.980151
"117232"	199.043902	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+2Cl"	69.938804
"560072"	281.081152	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+2Cl"	69.938804
"1029966"	117.006652	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2Cl"	69.938804
"1248451"	242.993385	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Br"	78.918885
"1313086"	245.049372	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Cl+HCOOH"	80.974872
"1327301"	267.031329	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Cl+NaCOOH"	102.956829
"915443"	277.060086	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M-H+CF3COOH"	112.985586
"1293974"	313.036764	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Cl+CF3COOH"	148.962264
"1368124"	129.061824	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H-2H2O"	-35.012676
"1396198"	147.0718	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H-H2O"	-17.0027
"293697"	329.156276	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+H"	1.007276
"677734"	493.230776	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+H"	1.007276
"1360281"	165.081776	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H"	1.007276
"132077"	165.081776	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+2H"	2.014552
"581378"	247.119026	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+2H"	2.014552
"1049916"	83.044526	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2H"	2.014552
"219040"	110.390276	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+3H"	3.021828
"658839"	165.081776	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+3H"	3.021828
"1176233"	55.698776	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+3H"	3.021828
"439391"	346.182823	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+NH4"	18.033823
"800996"	510.257323	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+NH4"	18.033823
"1692099"	182.108323	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+NH4"	18.033823
"344754"	173.5950495	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+H+NH4"	19.041099
"737908"	255.6322995	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+H+NH4"	19.041099
"1489545"	91.5577995	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H+NH4"	19.041099
"407736"	351.138218	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+Na"	22.989218
"767395"	515.212718	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+Na"	22.989218
"1617804"	187.063718	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Na"	22.989218
"329784"	176.072747	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+H+Na"	23.996494
"721837"	258.109997	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+H+Na"	23.996494
"1473955"	94.035497	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H+Na"	23.996494
"1063920"	63.02609	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2H+Na"	25.00377
"1266698"	197.107986	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+CH3OH+H"	33.033486
"380898"	367.112158	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+K"	38.963158
"741894"	531.186658	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+K"	38.963158
"1546135"	203.037658	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+K"	38.963158
"306593"	184.059717	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+H+K"	39.970434
"704482"	266.096967	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+H+K"	39.970434
"1450650"	102.022467	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H+K"	39.970434
"245812"	370.182826	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+ACN+H"	42.033826
"1221437"	206.108326	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+ACN+H"	42.033826
"1201312"	103.557801	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+ACN+2H"	43.041102
"195278"	373.12016	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+2Na-H"	44.97116
"634839"	537.19466	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+2Na-H"	44.97116
"1139439"	209.04566	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2Na-H"	44.97116
"178718"	187.063718	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+2Na"	45.978436
"625203"	269.100968	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+2Na"	45.978436
"1127980"	105.026468	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2Na"	45.978436
"1410412"	70.353404	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H+2Na"	46.985712
"1444108"	211.087246	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H+HCOOH"	47.012746
"233318"	192.09674	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+3H2O+2H"	56.04448
"1519195"	225.13929	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+IsoProp+H"	61.06479
"423505"	195.050688	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+Na+K"	61.952376
"785462"	277.087938	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+Na+K"	61.952376
"1680956"	113.013438	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Na+K"	61.952376
"266510"	392.164768	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+ACN+Na"	64.015768
"1239818"	228.090268	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+ACN+Na"	64.015768
"1726884"	228.113793	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+NH4+HCOOH"	64.039293
"1192237"	77.680718	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+3Na"	68.967654
"1663951"	233.069188	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Na+HCOOH"	68.994688
"167896"	405.06804	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+2K-H"	76.91904
"607455"	569.14254	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+2K-H"	76.91904
"1097435"	240.99354	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2K-H"	76.91904
"156440"	203.037658	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"2M+2K"	77.926316
"593447"	285.074908	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"3M+2K"	77.926316
"1079419"	121.000408	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2K"	77.926316
"1114087"	243.008092	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2K+H"	78.933592
"1348285"	243.095707	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+DMSO+H"	79.021207
"1019731"	247.134876	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2ACN+H"	83.060376
"1532022"	248.128508	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+IsoProp+Na+H"	84.054008
"998470"	124.071076	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+2ACN+2H"	84.067652
"1599535"	249.043128	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+K+HCOOH"	84.968628
"1420820"	279.074638	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+H+CF3COOH"	115.000138
"1152203"	144.584351	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+3ACN+2H"	125.094202
"1708324"	296.101185	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+NH4+CF3COOH"	132.026685
"1641787"	301.05658	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+Na+CF3COOH"	136.98208
"1572336"	317.03052	"C03172"	"S-Methyl-L-methionine"	"C6H14NO2S"	"164.0745"	"M+K+CF3COOH"	152.95602
"803430"	106.0089	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M"	0
"987899"	86.99051	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-H2O-H"	-19.01839
"71766"	69.665324	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M-3H"	-3.021828
"509139"	105.001624	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M-3H"	-3.021828
"889129"	34.329024	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-3H"	-3.021828
"7703"	105.001624	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M-2H"	-2.014552
"449451"	158.006074	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M-2H"	-2.014552
"823972"	51.997174	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-2H"	-2.014552
"86151"	211.010524	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M-H"	-1.007276
"528627"	317.019424	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M-H"	-1.007276
"907159"	105.001624	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-H"	-1.007276
"56794"	228.037071	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M-2H+NH4"	16.019271
"496353"	334.045971	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M-2H+NH4"	16.019271
"871974"	122.028171	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-2H+NH4"	16.019271
"42793"	232.992466	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M-2H+Na"	20.974666
"484906"	339.001366	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M-2H+Na"	20.974666
"859427"	126.983566	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-2H+Na"	20.974666
"1633704"	126.983566	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Na-2H"	20.974666
"109347"	122.989963	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M-H+Cl"	33.962126
"548945"	175.994413	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M-H+Cl"	33.962126
"940637"	69.985513	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-H+Cl"	33.962126
"282111"	246.987202	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+Cl"	34.969402
"674653"	352.996102	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+Cl"	34.969402
"1287989"	140.978302	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Cl"	34.969402
"29978"	248.966406	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M-2H+K"	36.948606
"470265"	354.975306	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M-2H+K"	36.948606
"845152"	142.957506	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-2H+K"	36.948606
"1564266"	142.957506	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+K-2H"	36.948606
"951053"	151.007094	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-H+HCOOH"	44.998194
"368902"	257.016001	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+HCOOH-H"	44.998201
"349138"	271.031651	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+Hac-H"	59.013851
"1499799"	165.022751	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Hac-H"	59.013851
"966248"	172.989051	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-H+NaCOOH"	66.980151
"118435"	140.978302	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+2Cl"	69.938804
"557996"	193.982752	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+2Cl"	69.938804
"1030076"	87.973852	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2Cl"	69.938804
"1248561"	184.927785	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Br"	78.918885
"1313196"	186.983772	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Cl+HCOOH"	80.974872
"1327411"	208.965729	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Cl+NaCOOH"	102.956829
"915917"	218.994486	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M-H+CF3COOH"	112.985586
"1294448"	254.971164	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Cl+CF3COOH"	148.962264
"1369327"	70.996224	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H-2H2O"	-35.012676
"1393028"	89.0062	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H-H2O"	-17.0027
"290527"	213.025076	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+H"	1.007276
"678207"	319.033976	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+H"	1.007276
"1360391"	107.016176	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H"	1.007276
"132187"	107.016176	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+2H"	2.014552
"581333"	160.020626	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+2H"	2.014552
"1050026"	54.011726	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2H"	2.014552
"219392"	71.679876	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+3H"	3.021828
"658948"	107.016176	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+3H"	3.021828
"1177071"	36.343576	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+3H"	3.021828
"434882"	230.051623	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+NH4"	18.033823
"794784"	336.060523	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+NH4"	18.033823
"1692209"	124.042723	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+NH4"	18.033823
"339394"	115.5294495	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+H+NH4"	19.041099
"738389"	168.5338995	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+H+NH4"	19.041099
"1491839"	62.5249995	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H+NH4"	19.041099
"407237"	235.007018	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+Na"	22.989218
"768232"	341.015918	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+Na"	22.989218
"1616696"	128.998118	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Na"	22.989218
"329525"	118.007147	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+H+Na"	23.996494
"720244"	171.011597	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+H+Na"	23.996494
"1476862"	65.002697	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H+Na"	23.996494
"1066217"	43.67089	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2H+Na"	25.00377
"1266808"	139.042386	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+CH3OH+H"	33.033486
"383194"	250.980958	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+K"	38.963158
"743097"	356.989858	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+K"	38.963158
"1550619"	144.972058	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+K"	38.963158
"307796"	125.994117	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+H+K"	39.970434
"703500"	178.998567	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+H+K"	39.970434
"1451852"	72.989667	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H+K"	39.970434
"244829"	254.051626	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+ACN+H"	42.033826
"1223858"	148.042726	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+ACN+H"	42.033826
"1208225"	74.525001	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+ACN+2H"	43.041102
"195387"	256.98896	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+2Na-H"	44.97116
"634948"	362.99786	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+2Na-H"	44.97116
"1137362"	150.98006	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2Na-H"	44.97116
"181744"	128.998118	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+2Na"	45.978436
"622397"	182.002568	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+2Na"	45.978436
"1130528"	75.993668	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2Na"	45.978436
"1408335"	50.998204	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H+2Na"	46.985712
"1443731"	153.021646	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H+HCOOH"	47.012746
"233428"	134.03114	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+3H2O+2H"	56.04448
"1519305"	167.07369	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+IsoProp+H"	61.06479
"423735"	136.985088	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+Na+K"	61.952376
"785381"	189.989538	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+Na+K"	61.952376
"1680783"	83.980638	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Na+K"	61.952376
"266619"	276.033568	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+ACN+Na"	64.015768
"1239564"	170.024668	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+ACN+Na"	64.015768
"1726994"	170.048193	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+NH4+HCOOH"	64.039293
"1191984"	58.325518	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+3Na"	68.967654
"1663336"	175.003588	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Na+HCOOH"	68.994688
"168740"	288.93684	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+2K-H"	76.91904
"608294"	394.94574	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+2K-H"	76.91904
"1098641"	182.92794	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2K-H"	76.91904
"155091"	144.972058	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"2M+2K"	77.926316
"593559"	197.976508	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"3M+2K"	77.926316
"1081352"	91.967608	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2K"	77.926316
"1113467"	184.942492	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2K+H"	78.933592
"1348395"	185.030107	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+DMSO+H"	79.021207
"1016193"	189.069276	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2ACN+H"	83.060376
"1531039"	190.062908	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+IsoProp+Na+H"	84.054008
"998581"	95.038276	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+2ACN+2H"	84.067652
"1596364"	190.977528	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+K+HCOOH"	84.968628
"1418742"	221.009038	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+H+CF3COOH"	115.000138
"1150125"	115.551551	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+3ACN+2H"	125.094202
"1706247"	238.035585	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+NH4+CF3COOH"	132.026685
"1641897"	242.99098	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+Na+CF3COOH"	136.98208
"1572082"	258.96492	"C03173"	"S-Methylthioglycolate;(Methylthio)acetic acid"	"C3H6O2S"	"106.0089"	"M+K+CF3COOH"	152.95602
"805727"	407.0999	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M"	0
"988009"	388.08151	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-H2O-H"	-19.01839
"70783"	270.392657333333	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M-3H"	-3.021828
"509249"	406.092624	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M-3H"	-3.021828
"885959"	134.692690666667	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-3H"	-3.021828
"4533"	406.092624	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M-2H"	-2.014552
"448467"	609.642574	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M-2H"	-2.014552
"822989"	202.542674	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-2H"	-2.014552
"87354"	813.192524	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M-H"	-1.007276
"526914"	1220.292424	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M-H"	-1.007276
"907633"	406.092624	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-H"	-1.007276
"57997"	830.219071	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M-2H+NH4"	16.019271
"497556"	1237.318971	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M-2H+NH4"	16.019271
"872084"	423.119171	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-2H+NH4"	16.019271
"38891"	835.174466	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M-2H+Na"	20.974666
"484285"	1242.274366	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M-2H+Na"	20.974666
"860629"	428.074566	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-2H+Na"	20.974666
"1631259"	428.074566	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Na-2H"	20.974666
"107423"	424.080963	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M-H+Cl"	33.962126
"549933"	627.630913	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M-H+Cl"	33.962126
"940868"	220.531013	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-H+Cl"	33.962126
"281491"	849.169202	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+Cl"	34.969402
"671846"	1256.269102	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+Cl"	34.969402
"1285343"	442.069302	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Cl"	34.969402
"28992"	851.148406	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M-2H+K"	36.948606
"470660"	1258.248306	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M-2H+K"	36.948606
"844167"	444.048506	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-2H+K"	36.948606
"1564374"	444.048506	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+K-2H"	36.948606
"954442"	452.098094	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-H+HCOOH"	44.998194
"362812"	859.198001	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+HCOOH-H"	44.998201
"346445"	873.213651	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+Hac-H"	59.013851
"1501002"	466.113751	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Hac-H"	59.013851
"966358"	474.080051	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-H+NaCOOH"	66.980151
"118545"	442.069302	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+2Cl"	69.938804
"558106"	645.619252	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+2Cl"	69.938804
"1030186"	238.519352	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2Cl"	69.938804
"1247578"	486.018785	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Br"	78.918885
"1312213"	488.074772	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Cl+HCOOH"	80.974872
"1326428"	510.056729	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Cl+NaCOOH"	102.956829
"916392"	520.085486	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M-H+CF3COOH"	112.985586
"1294194"	556.062164	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Cl+CF3COOH"	148.962264
"1369072"	372.087224	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H-2H2O"	-35.012676
"1386576"	390.0972	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H-H2O"	-17.0027
"291730"	815.207076	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+H"	1.007276
"677589"	1222.306976	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+H"	1.007276
"1353939"	408.107176	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H"	1.007276
"133390"	408.107176	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+2H"	2.014552
"578420"	611.657126	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+2H"	2.014552
"1050499"	204.557226	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2H"	2.014552
"216215"	272.407209333333	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+3H"	3.021828
"658693"	408.107176	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+3H"	3.021828
"1173901"	136.707242666667	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+3H"	3.021828
"437907"	832.233623	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+NH4"	18.033823
"797079"	1239.333523	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+NH4"	18.033823
"1693412"	425.133723	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+NH4"	18.033823
"340596"	416.6204495	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+H+NH4"	19.041099
"735577"	620.1703995	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+H+NH4"	19.041099
"1487941"	213.0704995	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H+NH4"	19.041099
"404796"	837.189018	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+Na"	22.989218
"765427"	1244.288918	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+Na"	22.989218
"1612431"	430.089118	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Na"	22.989218
"326839"	419.098147	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+H+Na"	23.996494
"720354"	622.648097	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+H+Na"	23.996494
"1471988"	215.548197	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H+Na"	23.996494
"1060859"	144.034556666667	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2H+Na"	25.00377
"1263639"	440.133386	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+CH3OH+H"	33.033486
"380388"	853.162958	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+K"	38.963158
"743207"	1260.262858	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+K"	38.963158
"1541736"	446.063058	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+K"	38.963158
"305717"	427.085117	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+H+K"	39.970434
"698141"	630.635067	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+H+K"	39.970434
"1447952"	223.535167	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H+K"	39.970434
"242751"	856.233626	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+ACN+H"	42.033826
"1218741"	449.133726	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+ACN+H"	42.033826
"1203717"	225.070501	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+ACN+2H"	43.041102
"193310"	859.17096	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+2Na-H"	44.97116
"631412"	1266.27086	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+2Na-H"	44.97116
"1134555"	452.07106	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2Na-H"	44.97116
"176387"	430.089118	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+2Na"	45.978436
"617040"	633.639068	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+2Na"	45.978436
"1130632"	226.539168	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2Na"	45.978436
"1407352"	151.361870666667	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H+2Na"	46.985712
"1443477"	454.112646	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H+HCOOH"	47.012746
"233174"	435.12214	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+3H2O+2H"	56.04448
"1518322"	468.16469	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+IsoProp+H"	61.06479
"423725"	438.076088	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+Na+K"	61.952376
"784471"	641.626038	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+Na+K"	61.952376
"1681051"	234.526138	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Na+K"	61.952376
"266929"	878.215568	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+ACN+Na"	64.015768
"1240036"	471.115668	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+ACN+Na"	64.015768
"1726736"	471.139193	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+NH4+HCOOH"	64.039293
"1190999"	158.689184666667	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+3Na"	68.967654
"1663444"	476.094588	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Na+HCOOH"	68.994688
"166661"	891.11884	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+2K-H"	76.91904
"606946"	1298.21874	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+2K-H"	76.91904
"1097656"	484.01894	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2K-H"	76.91904
"153378"	446.063058	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"2M+2K"	77.926316
"592211"	649.613008	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"3M+2K"	77.926316
"1079640"	242.513108	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2K"	77.926316
"1111755"	486.033492	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2K+H"	78.933592
"1348869"	486.121107	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+DMSO+H"	79.021207
"1016303"	490.160276	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2ACN+H"	83.060376
"1531150"	491.153908	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+IsoProp+Na+H"	84.054008
"998691"	245.583776	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+2ACN+2H"	84.067652
"1595381"	492.068528	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+K+HCOOH"	84.968628
"1418852"	522.100038	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+H+CF3COOH"	115.000138
"1151328"	266.097051	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+3ACN+2H"	125.094202
"1705264"	539.126585	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+NH4+CF3COOH"	132.026685
"1638727"	544.08198	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+Na+CF3COOH"	136.98208
"1572192"	560.05592	"C03174"	"S-Succinylglutathione"	"C14H21N3O9S"	"407.0999"	"M+K+CF3COOH"	152.95602
"812398"	254.0192	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M"	0
"989861"	235.00081	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-H2O-H"	-19.01839
"74174"	168.338857333333	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M-3H"	-3.021828
"514828"	253.011924	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M-3H"	-3.021828
"890442"	83.6657906666667	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-3H"	-3.021828
"10110"	253.011924	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H"	-2.014552
"451859"	380.021524	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H"	-2.014552
"831119"	126.002324	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-2H"	-2.014552
"92568"	507.031124	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M-H"	-1.007276
"532007"	761.050324	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M-H"	-1.007276
"907745"	253.011924	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-H"	-1.007276
"57014"	524.057671	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H+NH4"	16.019271
"498759"	778.076871	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H+NH4"	16.019271
"873284"	270.038471	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-2H+NH4"	16.019271
"34622"	529.013066	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H+Na"	20.974666
"482208"	783.032266	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H+Na"	20.974666
"861468"	274.993866	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-2H+Na"	20.974666
"1633681"	274.993866	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Na-2H"	20.974666
"107533"	271.000263	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M-H+Cl"	33.962126
"549899"	398.009863	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M-H+Cl"	33.962126
"942777"	143.990663	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-H+Cl"	33.962126
"280628"	543.007802	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+Cl"	34.969402
"675282"	797.027002	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+Cl"	34.969402
"1288007"	288.988602	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl"	34.969402
"31392"	544.987006	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H+K"	36.948606
"469395"	799.006206	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H+K"	36.948606
"846710"	290.967806	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-2H+K"	36.948606
"1568859"	290.967806	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+K-2H"	36.948606
"951273"	299.017394	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-H+HCOOH"	44.998194
"368394"	553.036601	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+HCOOH-H"	44.998201
"356651"	567.052251	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+Hac-H"	59.013851
"1502205"	313.033051	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Hac-H"	59.013851
"970842"	320.999351	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-H+NaCOOH"	66.980151
"119750"	288.988602	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+2Cl"	69.938804
"559308"	415.998202	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+2Cl"	69.938804
"1033944"	161.979002	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2Cl"	69.938804
"1250968"	332.938085	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Br"	78.918885
"1312324"	334.994072	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl+HCOOH"	80.974872
"1328725"	356.976029	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl+NaCOOH"	102.956829
"920877"	367.004786	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M-H+CF3COOH"	112.985586
"1294304"	402.981464	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl+CF3COOH"	148.962264
"1371370"	219.006524	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H-2H2O"	-35.012676
"1393248"	237.0165	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H-H2O"	-17.0027
"290747"	509.045676	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+H"	1.007276
"683167"	763.064876	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+H"	1.007276
"1355142"	255.026476	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H"	1.007276
"131313"	255.026476	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+2H"	2.014552
"578895"	382.036076	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+2H"	2.014552
"1049516"	128.016876	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2H"	2.014552
"216325"	170.353409333333	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+3H"	3.021828
"653700"	255.026476	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+3H"	3.021828
"1169637"	85.6803426666667	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+3H"	3.021828
"439476"	526.072223	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+NH4"	18.033823
"796095"	780.091423	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+NH4"	18.033823
"1695951"	272.053023	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+NH4"	18.033823
"341435"	263.5397495	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+H+NH4"	19.041099
"738279"	390.5493495	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+H+NH4"	19.041099
"1491694"	136.5301495	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H+NH4"	19.041099
"408027"	531.027618	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+Na"	22.989218
"767725"	785.046818	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+Na"	22.989218
"1615821"	277.008418	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Na"	22.989218
"329016"	266.017447	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+H+Na"	23.996494
"721316"	393.027047	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+H+Na"	23.996494
"1475257"	139.007847	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H+Na"	23.996494
"1063156"	93.0076566666667	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2H+Na"	25.00377
"1264839"	287.052686	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+CH3OH+H"	33.033486
"384514"	547.001558	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+K"	38.963158
"746602"	801.020758	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+K"	38.963158
"1547563"	292.982358	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+K"	38.963158
"308749"	274.004417	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+H+K"	39.970434
"701533"	401.014017	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+H+K"	39.970434
"1448062"	146.994817	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H+K"	39.970434
"243954"	550.072226	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+ACN+H"	42.033826
"1216664"	296.053026	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+ACN+H"	42.033826
"1208083"	148.530151	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+ACN+2H"	43.041102
"193785"	553.00956	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+2Na-H"	44.97116
"634073"	807.02876	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+2Na-H"	44.97116
"1135393"	298.99036	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2Na-H"	44.97116
"176858"	277.008418	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+2Na"	45.978436
"619337"	404.018018	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+2Na"	45.978436
"1120656"	149.998818	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2Na"	45.978436
"1412565"	100.334970666667	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H+2Na"	46.985712
"1438483"	301.031946	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H+HCOOH"	47.012746
"232190"	282.04144	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+3H2O+2H"	56.04448
"1523838"	315.08399	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+IsoProp+H"	61.06479
"424202"	284.995388	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+Na+K"	61.952376
"785545"	412.004988	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+Na+K"	61.952376
"1681046"	157.985788	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Na+K"	61.952376
"267103"	572.054168	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+ACN+Na"	64.015768
"1239783"	318.034968	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+ACN+Na"	64.015768
"1725390"	318.058493	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+NH4+HCOOH"	64.039293
"1193297"	107.662284666667	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+3Na"	68.967654
"1663554"	323.013888	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Na+HCOOH"	68.994688
"168958"	584.95744	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+2K-H"	76.91904
"607057"	838.97664	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+2K-H"	76.91904
"1098131"	330.93824	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2K-H"	76.91904
"152759"	292.982358	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"2M+2K"	77.926316
"590496"	419.991958	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"3M+2K"	77.926316
"1081573"	165.972758	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2K"	77.926316
"1111866"	332.952792	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2K+H"	78.933592
"1349345"	333.040407	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+DMSO+H"	79.021207
"1018968"	337.079576	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2ACN+H"	83.060376
"1534540"	338.073208	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+IsoProp+Na+H"	84.054008
"1000991"	169.043426	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+2ACN+2H"	84.067652
"1597678"	338.987828	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+K+HCOOH"	84.968628
"1420057"	369.019338	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+H+CF3COOH"	115.000138
"1152533"	189.556701	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+3ACN+2H"	125.094202
"1705374"	386.045885	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+NH4+CF3COOH"	132.026685
"1639930"	391.00128	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+Na+CF3COOH"	136.98208
"1572302"	406.97522	"C03175"	"Shikimate 3-phosphate;Shikimate 5-phosphate"	"C7H11O8P"	"254.0192"	"M+K+CF3COOH"	152.95602
"802667"	292.2402	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M"	0
"987136"	273.22181	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"68817"	193.819524	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"514938"	291.232924	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"891646"	96.406124	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"10220"	291.232924	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"452335"	437.353024	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"829407"	145.112824	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"89763"	583.473124	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"526043"	875.713324	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"907125"	291.232924	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"54937"	600.499671	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"497778"	892.739871	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"872299"	308.259471	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"39105"	605.455066	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"475392"	897.695266	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"857568"	313.214866	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1630750"	313.214866	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"104727"	309.221263	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"545379"	455.341363	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"939991"	163.101163	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"280739"	619.449802	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"670974"	911.690002	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1285562"	327.209602	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"30430"	621.429006	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"470111"	913.669206	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"845479"	329.188806	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1562406"	329.188806	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"952475"	337.238394	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"368504"	629.478601	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"356761"	643.494251	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1501221"	351.254051	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"971681"	359.220351	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"119859"	327.209602	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"559416"	473.329702	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1030772"	181.089502	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1251808"	371.159085	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1312434"	373.215072	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1331022"	395.197029	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"922082"	405.225786	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1295509"	441.202464	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1378046"	257.227524	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1387888"	275.2375	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"285389"	585.487676	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"683277"	877.727876	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1353062"	293.247476	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"133609"	293.247476	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"581185"	439.367576	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1046347"	147.127376	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"210966"	195.834076	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"653810"	293.247476	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1177405"	98.420676	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"438128"	602.514223	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"799124"	894.754423	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1696307"	310.274023	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"344831"	301.7607495	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"737255"	447.8808495	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1490714"	155.6406495	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"406840"	607.469618	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"767471"	899.709818	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1614474"	315.229418	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"325604"	304.238447	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"718390"	450.358547	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1474035"	158.118347	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1066913"	105.74799	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1263856"	325.273686	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"380251"	623.443558	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"741247"	915.683758	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1541113"	331.203358	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"300839"	312.225417	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"696180"	458.345517	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1451088"	166.105317	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"240786"	626.514226	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1213493"	334.274026	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1197014"	167.640651	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"193529"	629.45156	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"636369"	921.69176	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1133316"	337.21136	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"176607"	315.229418	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"625646"	461.349518	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1129151"	169.109318	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1412675"	113.075304	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1443698"	339.252946	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"235383"	320.26244	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1524129"	353.30499	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"424186"	323.216388	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"785610"	469.336488	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1679577"	177.096288	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"266990"	648.496168	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1238071"	356.255968	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1726593"	356.279493	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1192679"	120.402618	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1662209"	361.234888	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"168703"	661.39944	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"604254"	953.63964	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1094961"	369.15924	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"153599"	331.203358	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"594255"	477.323458	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1083958"	185.083258	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1113070"	371.173792	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1350795"	371.261407	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1020537"	375.300576	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1534288"	376.294208	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"1001830"	188.153926	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1601801"	377.208828	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1428918"	407.240338	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1153735"	208.667201	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1706577"	424.266885	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1640040"	429.22228	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1573505"	445.19622	"C03176"	"Steroid hydroperoxide"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"806057"	258.0617	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M"	0
"985059"	239.04331	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-H2O-H"	-19.01839
"68926"	171.033857333333	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M-3H"	-3.021828
"511767"	257.054424	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M-3H"	-3.021828
"891756"	85.0132906666667	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-3H"	-3.021828
"9237"	257.054424	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H"	-2.014552
"452081"	386.085274	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H"	-2.014552
"829883"	128.023574	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H"	-2.014552
"86593"	515.116124	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M-H"	-1.007276
"526153"	773.177824	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M-H"	-1.007276
"907235"	257.054424	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-H"	-1.007276
"52861"	532.142671	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H+NH4"	16.019271
"497888"	790.204371	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H+NH4"	16.019271
"870223"	274.080971	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H+NH4"	16.019271
"39215"	537.098066	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H+Na"	20.974666
"475502"	795.159766	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H+Na"	20.974666
"851481"	279.036366	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H+Na"	20.974666
"1631586"	279.036366	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na-2H"	20.974666
"104837"	275.042763	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M-H+Cl"	33.962126
"544396"	404.073613	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M-H+Cl"	33.962126
"939737"	146.011913	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+Cl"	33.962126
"279756"	551.092802	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Cl"	34.969402
"673269"	809.154502	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+Cl"	34.969402
"1285672"	293.031102	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl"	34.969402
"29081"	553.072006	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H+K"	36.948606
"467790"	811.133706	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H+K"	36.948606
"843402"	295.010306	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H+K"	36.948606
"1561423"	295.010306	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+K-2H"	36.948606
"949305"	303.059894	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+HCOOH"	44.998194
"368614"	561.121601	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+HCOOH-H"	44.998201
"355414"	575.137251	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Hac-H"	59.013851
"1506313"	317.075551	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Hac-H"	59.013851
"971062"	325.041851	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+NaCOOH"	66.980151
"118876"	293.031102	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2Cl"	69.938804
"557339"	422.061952	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2Cl"	69.938804
"1031610"	164.000252	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2Cl"	69.938804
"1249002"	336.980585	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Br"	78.918885
"1313637"	339.036572	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl+HCOOH"	80.974872
"1330039"	361.018529	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl+NaCOOH"	102.956829
"918912"	371.047286	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+CF3COOH"	112.985586
"1294526"	407.023964	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl+CF3COOH"	148.962264
"1378156"	223.049024	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H-2H2O"	-35.012676
"1387998"	241.059	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H-H2O"	-17.0027
"286592"	517.130676	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H"	1.007276
"682294"	775.192376	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H"	1.007276
"1353536"	259.068976	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H"	1.007276
"133719"	259.068976	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2H"	2.014552
"579846"	388.099826	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2H"	2.014552
"1043177"	130.038126	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2H"	2.014552
"211076"	173.048409333333	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+3H"	3.021828
"653920"	259.068976	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+3H"	3.021828
"1176420"	87.0278426666667	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+3H"	3.021828
"437143"	534.157223	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+NH4"	18.033823
"798141"	792.218923	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+NH4"	18.033823
"1691557"	276.095523	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+NH4"	18.033823
"342023"	267.5822495	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H+NH4"	19.041099
"737486"	396.6130995	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H+NH4"	19.041099
"1491064"	138.5513995	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+NH4"	19.041099
"408166"	539.112618	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Na"	22.989218
"765760"	797.174318	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+Na"	22.989218
"1616043"	281.050918	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na"	22.989218
"328509"	270.059947	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H+Na"	23.996494
"717406"	399.090797	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H+Na"	23.996494
"1475236"	141.029097	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+Na"	23.996494
"1065201"	94.3551566666666	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2H+Na"	25.00377
"1268338"	291.095186	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+CH3OH+H"	33.033486
"381455"	555.086558	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+K"	38.963158
"740628"	813.148258	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+K"	38.963158
"1549608"	297.024858	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+K"	38.963158
"308240"	278.046917	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H+K"	39.970434
"695560"	407.077767	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H+K"	39.970434
"1453386"	149.016067	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+K"	39.970434
"241990"	558.157226	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+ACN+H"	42.033826
"1216886"	300.095526	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+ACN+H"	42.033826
"1205874"	150.551401	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+ACN+2H"	43.041102
"195826"	561.09456	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2Na-H"	44.97116
"641948"	819.15626	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2Na-H"	44.97116
"1139987"	303.03286	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2Na-H"	44.97116
"187289"	281.050918	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2Na"	45.978436
"626120"	410.081768	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2Na"	45.978436
"1129261"	152.020068	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2Na"	45.978436
"1412788"	101.682470666667	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+2Na"	46.985712
"1443446"	305.074446	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+HCOOH"	47.012746
"233874"	286.08394	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+3H2O+2H"	56.04448
"1523968"	319.12649	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+IsoProp+H"	61.06479
"424141"	289.037888	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Na+K"	61.952376
"785257"	418.068738	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+Na+K"	61.952376
"1680051"	160.007038	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na+K"	61.952376
"266693"	580.139168	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+ACN+Na"	64.015768
"1237456"	322.077468	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+ACN+Na"	64.015768
"1725977"	322.100993	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+NH4+HCOOH"	64.039293
"1191333"	109.009784666667	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+3Na"	68.967654
"1664142"	327.056388	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na+HCOOH"	68.994688
"171003"	593.04244	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2K-H"	76.91904
"606916"	851.10414	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2K-H"	76.91904
"1096531"	334.98074	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2K-H"	76.91904
"154076"	297.024858	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2K"	77.926316
"594366"	426.055708	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2K"	77.926316
"1083501"	167.994008	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2K"	77.926316
"1112452"	336.995292	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2K+H"	78.933592
"1349692"	337.082907	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+DMSO+H"	79.021207
"1019070"	341.122076	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2ACN+H"	83.060376
"1535493"	342.115708	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+IsoProp+Na+H"	84.054008
"1002669"	171.064676	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+2ACN+2H"	84.067652
"1599723"	343.030328	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+K+HCOOH"	84.968628
"1429391"	373.061838	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+CF3COOH"	115.000138
"1150565"	191.577951	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+3ACN+2H"	125.094202
"1706687"	390.088385	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+NH4+CF3COOH"	132.026685
"1639057"	395.04378	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na+CF3COOH"	136.98208
"1573615"	411.01772	"C03177"	"Streptamine phosphate"	"C6H15N2O7P"	"258.0617"	"M+K+CF3COOH"	152.95602
"809448"	196.0233	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M"	0
"988449"	177.00491	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-H2O-H"	-19.01839
"69037"	129.674924	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M-3H"	-3.021828
"515158"	195.016024	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M-3H"	-3.021828
"892960"	64.333824	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-3H"	-3.021828
"14089"	195.016024	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M-2H"	-2.014552
"452919"	293.027674	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M-2H"	-2.014552
"829992"	97.004374	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-2H"	-2.014552
"89983"	391.039324	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M-H"	-1.007276
"532825"	587.062624	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M-H"	-1.007276
"902969"	195.016024	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-H"	-1.007276
"56251"	408.065871	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M-2H+NH4"	16.019271
"495811"	604.089171	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M-2H+NH4"	16.019271
"866562"	212.042571	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-2H+NH4"	16.019271
"36045"	413.021266	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M-2H+Na"	20.974666
"474883"	609.044566	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M-2H+Na"	20.974666
"854507"	216.997966	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-2H+Na"	20.974666
"1631696"	216.997966	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Na-2H"	20.974666
"107133"	213.004363	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M-H+Cl"	33.962126
"544506"	311.016013	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M-H+Cl"	33.962126
"940698"	114.992713	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-H+Cl"	33.962126
"280842"	427.016002	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+Cl"	34.969402
"672286"	623.039302	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+Cl"	34.969402
"1285783"	230.992702	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Cl"	34.969402
"22871"	428.995206	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M-2H+K"	36.948606
"468629"	625.018506	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M-2H+K"	36.948606
"844606"	232.971906	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-2H+K"	36.948606
"1565908"	232.971906	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+K-2H"	36.948606
"947223"	241.021494	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-H+HCOOH"	44.998194
"364349"	437.044801	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+HCOOH-H"	44.998201
"348960"	451.060451	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+Hac-H"	59.013851
"1499254"	255.037151	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Hac-H"	59.013851
"970080"	263.003451	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-H+NaCOOH"	66.980151
"118987"	230.992702	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+2Cl"	69.938804
"555265"	329.004352	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+2Cl"	69.938804
"1027343"	132.981052	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2Cl"	69.938804
"1256402"	274.942185	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Br"	78.918885
"1314840"	276.998172	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Cl+HCOOH"	80.974872
"1324682"	298.980129	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Cl+NaCOOH"	102.956829
"917928"	309.008886	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M-H+CF3COOH"	112.985586
"1295728"	344.985564	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Cl+CF3COOH"	148.962264
"1378266"	161.010624	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H-2H2O"	-35.012676
"1391388"	179.0206	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H-H2O"	-17.0027
"287794"	393.053876	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+H"	1.007276
"683496"	589.077176	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+H"	1.007276
"1352554"	197.030576	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H"	1.007276
"127995"	197.030576	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+2H"	2.014552
"579958"	295.042226	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+2H"	2.014552
"1047660"	99.018926	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2H"	2.014552
"211186"	131.689476	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+3H"	3.021828
"657314"	197.030576	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+3H"	3.021828
"1177261"	66.348376	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+3H"	3.021828
"437253"	410.080423	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+NH4"	18.033823
"798254"	606.103723	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+NH4"	18.033823
"1694952"	214.057123	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+NH4"	18.033823
"343228"	205.5438495	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+H+NH4"	19.041099
"737476"	303.5554995	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+H+NH4"	19.041099
"1489110"	107.5321995	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H+NH4"	19.041099
"405604"	415.035818	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+Na"	22.989218
"766961"	611.059118	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+Na"	22.989218
"1616154"	219.012518	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Na"	22.989218
"325094"	208.021547	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+H+Na"	23.996494
"718609"	306.033197	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+H+Na"	23.996494
"1475711"	110.009897	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H+Na"	23.996494
"1062395"	73.67569	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2H+Na"	25.00377
"1266261"	229.056786	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+CH3OH+H"	33.033486
"380471"	431.009758	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+K"	38.963158
"742559"	627.033058	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+K"	38.963158
"1544249"	234.986458	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+K"	38.963158
"308350"	216.008517	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+H+K"	39.970434
"697491"	314.020167	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+H+K"	39.970434
"1456779"	117.996867	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H+K"	39.970434
"241006"	434.080426	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+ACN+H"	42.033826
"1216997"	238.057126	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+ACN+H"	42.033826
"1201973"	119.532201	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+ACN+2H"	43.041102
"194844"	437.01776	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+2Na-H"	44.97116
"639871"	633.04106	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+2Na-H"	44.97116
"1135724"	240.99446	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2Na-H"	44.97116
"176465"	219.012518	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+2Na"	45.978436
"625136"	317.024168	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+2Na"	45.978436
"1129735"	121.000868	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2Na"	45.978436
"1413144"	81.003004	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H+2Na"	46.985712
"1444288"	243.036046	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H+HCOOH"	47.012746
"231793"	224.04554	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+3H2O+2H"	56.04448
"1522410"	257.08809	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+IsoProp+H"	61.06479
"423921"	226.999488	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+Na+K"	61.952376
"784919"	325.011138	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+Na+K"	61.952376
"1680932"	128.987838	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Na+K"	61.952376
"265217"	456.062368	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+ACN+Na"	64.015768
"1239388"	260.039068	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+ACN+Na"	64.015768
"1727060"	260.062593	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+NH4+HCOOH"	64.039293
"1191807"	88.330318	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+3Na"	68.967654
"1663159"	265.017988	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Na+HCOOH"	68.994688
"165645"	468.96564	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+2K-H"	76.91904
"606298"	664.98894	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+2K-H"	76.91904
"1094090"	272.94234	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2K-H"	76.91904
"155526"	234.986458	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"2M+2K"	77.926316
"596061"	332.998108	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"3M+2K"	77.926316
"1081909"	136.974808	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2K"	77.926316
"1114758"	274.956892	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2K+H"	78.933592
"1349802"	275.044507	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+DMSO+H"	79.021207
"1019303"	279.083676	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2ACN+H"	83.060376
"1537425"	280.077308	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+IsoProp+Na+H"	84.054008
"1000957"	140.045476	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+2ACN+2H"	84.067652
"1599833"	280.991928	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+K+HCOOH"	84.968628
"1426948"	311.023438	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+H+CF3COOH"	115.000138
"1159424"	160.558751	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+3ACN+2H"	125.094202
"1698045"	328.049985	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+NH4+CF3COOH"	132.026685
"1634624"	333.00538	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+Na+CF3COOH"	136.98208
"1582473"	348.97932	"C03178"	"Tetrahydroxypteridine"	"C6H4N4O4"	"196.0233"	"M+K+CF3COOH"	152.95602
"802998"	573.2799	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M"	0
"988924"	554.26151	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-H2O-H"	-19.01839
"69147"	381.179324	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M-3H"	-3.021828
"513081"	572.272624	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M-3H"	-3.021828
"893799"	190.086024	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-3H"	-3.021828
"14928"	572.272624	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M-2H"	-2.014552
"452297"	858.912574	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M-2H"	-2.014552
"830831"	285.632674	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-2H"	-2.014552
"90821"	1145.552524	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M-H"	-1.007276
"531841"	1718.832424	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M-H"	-1.007276
"905264"	572.272624	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-H"	-1.007276
"57454"	1162.579071	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M-2H+NH4"	16.019271
"491549"	1735.858971	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M-2H+NH4"	16.019271
"868257"	589.299171	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-2H+NH4"	16.019271
"38348"	1167.534466	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M-2H+Na"	20.974666
"476817"	1740.814366	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M-2H+Na"	20.974666
"854618"	594.254566	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-2H+Na"	20.974666
"1632538"	594.254566	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Na-2H"	20.974666
"107243"	590.260963	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M-H+Cl"	33.962126
"546810"	876.900913	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M-H+Cl"	33.962126
"938138"	303.621013	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-H+Cl"	33.962126
"279976"	1181.529202	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+Cl"	34.969402
"675269"	1754.809102	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+Cl"	34.969402
"1288314"	608.249302	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Cl"	34.969402
"29176"	1183.508406	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M-2H+K"	36.948606
"468004"	1756.788306	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M-2H+K"	36.948606
"841432"	610.228506	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-2H+K"	36.948606
"1563828"	610.228506	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+K-2H"	36.948606
"945878"	618.278094	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-H+HCOOH"	44.998194
"366647"	1191.558001	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+HCOOH-H"	44.998201
"350530"	1205.573651	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+Hac-H"	59.013851
"1500459"	632.293751	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Hac-H"	59.013851
"972376"	640.260051	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-H+NaCOOH"	66.980151
"121282"	608.249302	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+2Cl"	69.938804
"555377"	894.889252	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+2Cl"	69.938804
"1033290"	321.609352	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2Cl"	69.938804
"1249222"	652.198785	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Br"	78.918885
"1309482"	654.254772	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Cl+HCOOH"	80.974872
"1326979"	676.236729	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Cl+NaCOOH"	102.956829
"916942"	686.265486	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M-H+CF3COOH"	112.985586
"1293652"	722.242164	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Cl+CF3COOH"	148.962264
"1371816"	538.267224	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H-2H2O"	-35.012676
"1389311"	556.2772	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H-H2O"	-17.0027
"286810"	1147.567076	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+H"	1.007276
"682514"	1720.846976	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+H"	1.007276
"1361051"	574.287176	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H"	1.007276
"138685"	574.287176	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+2H"	2.014552
"576786"	860.927126	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+2H"	2.014552
"1047770"	287.647226	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2H"	2.014552
"210206"	383.193876	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+3H"	3.021828
"655235"	574.287176	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+3H"	3.021828
"1173362"	192.100576	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+3H"	3.021828
"433353"	1164.593623	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+NH4"	18.033823
"798363"	1737.873523	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+NH4"	18.033823
"1695792"	591.313723	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+NH4"	18.033823
"344436"	582.8004495	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+H+NH4"	19.041099
"736856"	869.4403995	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+H+NH4"	19.041099
"1491770"	296.1604995	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H+NH4"	19.041099
"404982"	1169.549018	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+Na"	22.989218
"762697"	1742.828918	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+Na"	22.989218
"1615168"	596.269118	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Na"	22.989218
"325206"	585.278147	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+H+Na"	23.996494
"718719"	871.918097	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+H+Na"	23.996494
"1471445"	298.638197	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H+Na"	23.996494
"1062507"	199.42789	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2H+Na"	25.00377
"1267469"	606.313386	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+CH3OH+H"	33.033486
"383860"	1185.522958	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+K"	38.963158
"743762"	1758.802858	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+K"	38.963158
"1550186"	612.243058	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+K"	38.963158
"310645"	593.265117	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+H+K"	39.970434
"703064"	879.905067	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+H+K"	39.970434
"1457981"	306.625167	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H+K"	39.970434
"246581"	1188.593626	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+ACN+H"	42.033826
"1218198"	615.313726	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+ACN+H"	42.033826
"1199893"	308.160501	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+ACN+2H"	43.041102
"194952"	1191.53096	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+2Na-H"	44.97116
"641803"	1764.81086	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+2Na-H"	44.97116
"1139114"	618.25106	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2Na-H"	44.97116
"182405"	596.269118	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+2Na"	45.978436
"627434"	882.909068	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+2Na"	45.978436
"1126565"	309.629168	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2Na"	45.978436
"1413864"	206.755204	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H+2Na"	46.985712
"1444766"	620.292646	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H+HCOOH"	47.012746
"231538"	601.30214	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+3H2O+2H"	56.04448
"1519964"	634.34469	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+IsoProp+H"	61.06479
"422935"	604.256088	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+Na+K"	61.952376
"785271"	890.896038	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+Na+K"	61.952376
"1679777"	317.616138	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Na+K"	61.952376
"265808"	1210.575568	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+ACN+Na"	64.015768
"1239131"	637.295668	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+ACN+Na"	64.015768
"1725469"	637.319193	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+NH4+HCOOH"	64.039293
"1191917"	214.082518	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+3Na"	68.967654
"1662174"	642.274588	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Na+HCOOH"	68.994688
"167573"	1223.47884	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+2K-H"	76.91904
"607865"	1796.75874	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+2K-H"	76.91904
"1093835"	650.19894	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2K-H"	76.91904
"151381"	612.243058	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"2M+2K"	77.926316
"596171"	898.883008	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"3M+2K"	77.926316
"1082382"	325.603108	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2K"	77.926316
"1115351"	652.213492	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2K+H"	78.933592
"1350642"	652.301107	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+DMSO+H"	79.021207
"1020753"	656.340276	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2ACN+H"	83.060376
"1538390"	657.333908	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+IsoProp+Na+H"	84.054008
"999243"	328.673776	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+2ACN+2H"	84.067652
"1598119"	658.248528	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+K+HCOOH"	84.968628
"1429248"	688.280038	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+H+CF3COOH"	115.000138
"1151885"	349.187051	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+3ACN+2H"	125.094202
"1699249"	705.306585	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+NH4+CF3COOH"	132.026685
"1634412"	710.26198	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+Na+CF3COOH"	136.98208
"1576023"	726.23592	"C03183"	"Z-Gly-Pro-Leu-Gly-Pro;Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline;N-(Phenylmethoxy)carbonylglycyl-L-prolyl-L-leucylglycyl-L-proline"	"C28H39N5O8"	"573.2799"	"M+K+CF3COOH"	152.95602
"812949"	624.1715	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M"	0
"988305"	605.15311	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-H2O-H"	-19.01839
"69257"	415.107057333333	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M-3H"	-3.021828
"516471"	623.164224	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M-3H"	-3.021828
"894884"	207.049890666667	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-3H"	-3.021828
"14674"	623.164224	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M-2H"	-2.014552
"454962"	935.249974	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M-2H"	-2.014552
"832037"	311.078474	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-2H"	-2.014552
"92998"	1247.335724	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M-H"	-1.007276
"532315"	1871.507224	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M-H"	-1.007276
"905376"	623.164224	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-H"	-1.007276
"55378"	1264.362271	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M-2H+NH4"	16.019271
"491659"	1888.533771	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M-2H+NH4"	16.019271
"871647"	640.190771	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-2H+NH4"	16.019271
"35542"	1269.317666	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M-2H+Na"	20.974666
"474740"	1893.489166	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M-2H+Na"	20.974666
"853269"	645.146166	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-2H+Na"	20.974666
"1628637"	645.146166	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Na-2H"	20.974666
"107353"	641.152563	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M-H+Cl"	33.962126
"546921"	953.238313	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M-H+Cl"	33.962126
"940436"	329.066813	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-H+Cl"	33.962126
"279359"	1283.312402	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+Cl"	34.969402
"674089"	1907.483902	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+Cl"	34.969402
"1288029"	659.140902	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Cl"	34.969402
"29286"	1285.291606	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M-2H+K"	36.948606
"466657"	1909.463106	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M-2H+K"	36.948606
"841542"	661.120106	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-2H+K"	36.948606
"1565031"	661.120106	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+K-2H"	36.948606
"945989"	669.169694	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-H+HCOOH"	44.998194
"366757"	1293.341201	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+HCOOH-H"	44.998201
"351734"	1307.356851	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+Hac-H"	59.013851
"1499476"	683.185351	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Hac-H"	59.013851
"973458"	691.151651	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-H+NaCOOH"	66.980151
"119934"	659.140902	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+2Cl"	69.938804
"557674"	971.226652	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+2Cl"	69.938804
"1030849"	347.055152	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2Cl"	69.938804
"1249332"	703.090385	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Br"	78.918885
"1311779"	705.146372	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Cl+HCOOH"	80.974872
"1328183"	727.128329	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Cl+NaCOOH"	102.956829
"918147"	737.157086	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M-H+CF3COOH"	112.985586
"1294856"	773.133764	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Cl+CF3COOH"	148.962264
"1374113"	589.158824	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H-2H2O"	-35.012676
"1393795"	607.1688	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H-H2O"	-17.0027
"289108"	1249.350276	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+H"	1.007276
"684811"	1873.521776	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+H"	1.007276
"1361161"	625.178776	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H"	1.007276
"139524"	625.178776	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+2H"	2.014552
"573616"	937.264526	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+2H"	2.014552
"1045694"	313.093026	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2H"	2.014552
"210316"	417.121609333333	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+3H"	3.021828
"657047"	625.178776	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+3H"	3.021828
"1174566"	209.064442666667	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+3H"	3.021828
"433464"	1266.376823	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+NH4"	18.033823
"797380"	1890.548323	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+NH4"	18.033823
"1689708"	642.205323	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+NH4"	18.033823
"343451"	633.6920495	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+H+NH4"	19.041099
"733687"	945.7777995	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+H+NH4"	19.041099
"1487508"	321.6062995	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H+NH4"	19.041099
"405094"	1271.332218	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+Na"	22.989218
"766087"	1895.503718	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+Na"	22.989218
"1613093"	647.160718	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Na"	22.989218
"323128"	636.169747	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+H+Na"	23.996494
"716642"	948.255497	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+H+Na"	23.996494
"1472649"	324.083997	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H+Na"	23.996494
"1059337"	216.391756666667	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2H+Na"	25.00377
"1264297"	657.204986	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+CH3OH+H"	33.033486
"385060"	1287.306158	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+K"	38.963158
"743872"	1911.477658	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+K"	38.963158
"1544830"	663.134658	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+K"	38.963158
"310757"	644.156717	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+H+K"	39.970434
"704269"	956.242467	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+H+K"	39.970434
"1452625"	332.070967	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H+K"	39.970434
"242320"	1290.376826	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+ACN+H"	42.033826
"1216122"	666.205326	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+ACN+H"	42.033826
"1201097"	333.606301	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+ACN+2H"	43.041102
"193967"	1293.31416	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+2Na-H"	44.97116
"634622"	1917.48566	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+2Na-H"	44.97116
"1134852"	669.14266	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2Na-H"	44.97116
"177413"	647.160718	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+2Na"	45.978436
"623170"	959.246468	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+2Na"	45.978436
"1128864"	335.074968	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2Na"	45.978436
"1413120"	223.719070666667	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H+2Na"	46.985712
"1444510"	671.184246	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H+HCOOH"	47.012746
"230920"	652.19374	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+3H2O+2H"	56.04448
"1522629"	685.23629	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+IsoProp+H"	61.06479
"422567"	655.147688	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+Na+K"	61.952376
"784044"	967.233438	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+Na+K"	61.952376
"1680372"	343.061938	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Na+K"	61.952376
"264715"	1312.358768	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+ACN+Na"	64.015768
"1240334"	688.187268	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+ACN+Na"	64.015768
"1725578"	688.210793	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+NH4+HCOOH"	64.039293
"1192030"	231.046384666667	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+3Na"	68.967654
"1663743"	693.166188	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Na+HCOOH"	68.994688
"168412"	1325.26204	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+2K-H"	76.91904
"608706"	1949.43354	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+2K-H"	76.91904
"1099253"	701.09054	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2K-H"	76.91904
"154774"	663.134658	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"2M+2K"	77.926316
"594335"	975.220408	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"3M+2K"	77.926316
"1082857"	351.048908	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2K"	77.926316
"1113514"	703.105092	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2K+H"	78.933592
"1350872"	703.192707	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+DMSO+H"	79.021207
"1017700"	707.231876	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2ACN+H"	83.060376
"1536917"	708.225508	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+IsoProp+Na+H"	84.054008
"1003002"	354.119576	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+2ACN+2H"	84.067652
"1600784"	709.140128	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+K+HCOOH"	84.968628
"1426076"	739.171638	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+H+CF3COOH"	115.000138
"1157457"	374.632851	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+3ACN+2H"	125.094202
"1697294"	756.198185	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+NH4+CF3COOH"	132.026685
"1641576"	761.15358	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+Na+CF3COOH"	136.98208
"1582694"	777.12752	"C03184"	"Zinc protoporphyrin-9;Zinc protoporphyrin"	"C34H32N4O4Zn"	"624.1715"	"M+K+CF3COOH"	152.95602
"806500"	548.0808	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M"	0
"983313"	529.06241	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-H2O-H"	-19.01839
"75930"	364.379924	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M-3H"	-3.021828
"515489"	547.073524	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M-3H"	-3.021828
"891102"	181.686324	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-3H"	-3.021828
"14051"	547.073524	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M-2H"	-2.014552
"452517"	821.113924	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M-2H"	-2.014552
"827768"	273.033124	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-2H"	-2.014552
"88124"	1095.154324	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M-H"	-1.007276
"530600"	1643.235124	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M-H"	-1.007276
"897958"	547.073524	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-H"	-1.007276
"52212"	1112.180871	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+NH4"	16.019271
"493964"	1660.261671	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+NH4"	16.019271
"876141"	564.100071	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-2H+NH4"	16.019271
"39667"	1117.136266	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+Na"	20.974666
"482874"	1665.217066	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+Na"	20.974666
"860310"	569.055466	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-2H+Na"	20.974666
"1625472"	569.055466	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Na-2H"	20.974666
"102002"	565.061863	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M-H+Cl"	33.962126
"543749"	839.102263	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M-H+Cl"	33.962126
"935076"	291.021463	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-H+Cl"	33.962126
"276911"	1131.131002	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+Cl"	34.969402
"671520"	1679.211802	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+Cl"	34.969402
"1284652"	583.050202	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Cl"	34.969402
"24292"	1133.110206	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+K"	36.948606
"466039"	1681.191006	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+K"	36.948606
"838375"	585.029406	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-2H+K"	36.948606
"1557490"	585.029406	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+K-2H"	36.948606
"948654"	593.078994	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-H+HCOOH"	44.998194
"374892"	1141.159801	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+HCOOH-H"	44.998201
"359871"	1155.175451	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+Hac-H"	59.013851
"1502868"	607.094651	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Hac-H"	59.013851
"967129"	615.060951	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-H+NaCOOH"	66.980151
"116040"	583.050202	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+2Cl"	69.938804
"556692"	857.090602	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+2Cl"	69.938804
"1027676"	309.009802	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2Cl"	69.938804
"1253451"	626.999685	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Br"	78.918885
"1309705"	629.055672	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+HCOOH"	80.974872
"1328295"	651.037629	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+NaCOOH"	102.956829
"917166"	661.066386	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M-H+CF3COOH"	112.985586
"1297156"	697.043064	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+CF3COOH"	148.962264
"1370944"	513.068124	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H-2H2O"	-35.012676
"1387348"	531.0781	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H-H2O"	-17.0027
"290318"	1097.168876	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+H"	1.007276
"684929"	1645.249676	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+H"	1.007276
"1360181"	549.088076	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H"	1.007276
"130886"	549.088076	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+2H"	2.014552
"573729"	823.128476	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+2H"	2.014552
"1048727"	275.047676	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2H"	2.014552
"214805"	366.394476	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+3H"	3.021828
"657280"	549.088076	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+3H"	3.021828
"1172862"	183.700876	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+3H"	3.021828
"432489"	1114.195423	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+NH4"	18.033823
"793484"	1662.276223	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+NH4"	18.033823
"1690909"	566.114623	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+NH4"	18.033823
"338093"	557.6013495	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+H+NH4"	19.041099
"731609"	831.6417495	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+H+NH4"	19.041099
"1483242"	283.5609495	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H+NH4"	19.041099
"394267"	1119.150818	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+Na"	22.989218
"758541"	1667.231618	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+Na"	22.989218
"1613202"	571.070018	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Na"	22.989218
"317770"	560.079047	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+H+Na"	23.996494
"711288"	834.119447	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+H+Na"	23.996494
"1465110"	286.038647	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H+Na"	23.996494
"1060544"	191.02819	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2H+Na"	25.00377
"1260765"	581.114286	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+CH3OH+H"	33.033486
"379703"	1135.124758	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+K"	38.963158
"747260"	1683.205558	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+K"	38.963158
"1543846"	587.043958	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+K"	38.963158
"304302"	568.066017	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+H+K"	39.970434
"696725"	842.106417	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+H+K"	39.970434
"1452732"	294.025617	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H+K"	39.970434
"238052"	1138.195426	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+H"	42.033826
"1215137"	590.114626	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+H"	42.033826
"1203395"	295.560951	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+2H"	43.041102
"200640"	1141.13276	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na-H"	44.97116
"638014"	1689.21356	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na-H"	44.97116
"1138240"	593.05196	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2Na-H"	44.97116
"178616"	571.070018	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na"	45.978436
"625832"	845.110418	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na"	45.978436
"1129833"	297.029618	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2Na"	45.978436
"1411770"	198.355504	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H+2Na"	46.985712
"1442425"	595.093546	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H+HCOOH"	47.012746
"233947"	576.10304	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+3H2O+2H"	56.04448
"1523104"	609.14559	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+H"	61.06479
"421703"	579.056988	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+Na+K"	61.952376
"784519"	853.097388	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+Na+K"	61.952376
"1673923"	305.016588	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Na+K"	61.952376
"257162"	1160.177368	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+Na"	64.015768
"1232058"	612.096568	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+Na"	64.015768
"1720948"	612.120093	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+HCOOH"	64.039293
"1189585"	205.682818	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+3Na"	68.967654
"1658379"	617.075488	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Na+HCOOH"	68.994688
"166333"	1173.08064	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+2K-H"	76.91904
"605894"	1721.16144	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+2K-H"	76.91904
"1092594"	624.99984	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2K-H"	76.91904
"151598"	587.043958	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"2M+2K"	77.926316
"590066"	861.084358	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"3M+2K"	77.926316
"1080776"	313.003558	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2K"	77.926316
"1113257"	627.014392	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2K+H"	78.933592
"1348547"	627.102007	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+DMSO+H"	79.021207
"1020604"	631.141176	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+H"	83.060376
"1536296"	632.134808	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+Na+H"	84.054008
"999461"	316.074226	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+2H"	84.067652
"1590684"	633.049428	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+K+HCOOH"	84.968628
"1416346"	663.080938	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+H+CF3COOH"	115.000138
"1156485"	336.587501	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+3ACN+2H"	125.094202
"1701662"	680.107485	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+CF3COOH"	132.026685
"1644969"	685.06288	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+Na+CF3COOH"	136.98208
"1574058"	701.03682	"C03187"	"dTDP-6-deoxy-beta-L-talose;dTDP-beta-L-pneumose"	"C16H26N2O15P2"	"548.0808"	"M+K+CF3COOH"	152.95602
"803331"	172.0137	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M"	0
"980143"	152.99531	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-H2O-H"	-19.01839
"77133"	113.668524	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M-3H"	-3.021828
"516694"	171.006424	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M-3H"	-3.021828
"892311"	56.330624	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-3H"	-3.021828
"14162"	171.006424	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H"	-2.014552
"452627"	257.013274	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H"	-2.014552
"824962"	84.999574	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-2H"	-2.014552
"82768"	343.020124	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M-H"	-1.007276
"524523"	515.033824	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M-H"	-1.007276
"901230"	171.006424	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-H"	-1.007276
"58892"	360.046671	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+NH4"	16.019271
"498452"	532.060371	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+NH4"	16.019271
"872975"	188.032971	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+NH4"	16.019271
"39782"	365.002066	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+Na"	20.974666
"478249"	537.015766	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+Na"	20.974666
"852040"	192.988366	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+Na"	20.974666
"1620117"	192.988366	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Na-2H"	20.974666
"95553"	188.994763	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M-H+Cl"	33.962126
"535105"	275.001613	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M-H+Cl"	33.962126
"931173"	102.987913	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-H+Cl"	33.962126
"271555"	378.996802	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+Cl"	34.969402
"666163"	551.010502	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+Cl"	34.969402
"1277108"	206.983102	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl"	34.969402
"18936"	380.976006	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M-2H+K"	36.948606
"459591"	552.989706	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M-2H+K"	36.948606
"834112"	208.962306	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-2H+K"	36.948606
"1563069"	208.962306	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+K-2H"	36.948606
"953141"	217.011894	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-H+HCOOH"	44.998194
"371358"	389.025601	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+HCOOH-H"	44.998201
"355241"	403.041251	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+Hac-H"	59.013851
"1497149"	231.027551	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Hac-H"	59.013851
"962868"	238.993851	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-H+NaCOOH"	66.980151
"116150"	206.983102	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Cl"	69.938804
"555709"	292.989952	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Cl"	69.938804
"1027787"	120.976252	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2Cl"	69.938804
"1245179"	250.932585	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Br"	78.918885
"1308722"	252.988572	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+HCOOH"	80.974872
"1324394"	274.970529	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+NaCOOH"	102.956829
"917277"	284.999286	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M-H+CF3COOH"	112.985586
"1296173"	320.975964	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Cl+CF3COOH"	148.962264
"1375430"	137.001024	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H-2H2O"	-35.012676
"1396212"	155.011	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H-H2O"	-17.0027
"294805"	345.034676	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+H"	1.007276
"687226"	517.048376	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+H"	1.007276
"1360297"	173.020976	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H"	1.007276
"137928"	173.020976	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+2H"	2.014552
"574934"	259.027826	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+2H"	2.014552
"1048108"	87.014126	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2H"	2.014552
"214915"	115.683076	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+3H"	3.021828
"654116"	173.020976	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+3H"	3.021828
"1170422"	58.345176	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+3H"	3.021828
"432601"	362.061223	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+NH4"	18.033823
"793596"	534.074923	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+NH4"	18.033823
"1686645"	190.047523	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4"	18.033823
"333830"	181.5342495	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+NH4"	19.041099
"724790"	267.5410995	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+NH4"	19.041099
"1478246"	95.5273995	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H+NH4"	19.041099
"397655"	367.016618	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+Na"	22.989218
"760840"	539.030318	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+Na"	22.989218
"1612220"	195.002918	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Na"	22.989218
"317157"	184.011947	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+Na"	23.996494
"711399"	270.018797	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+Na"	23.996494
"1463037"	98.005097	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H+Na"	23.996494
"1054093"	65.67249	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2H+Na"	25.00377
"1257135"	205.047186	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+CH3OH+H"	33.033486
"377747"	382.990558	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+K"	38.963158
"738559"	555.004258	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+K"	38.963158
"1541769"	210.976858	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+K"	38.963158
"302225"	191.998917	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+H+K"	39.970434
"694647"	278.005767	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+H+K"	39.970434
"1449562"	105.992067	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H+K"	39.970434
"239259"	386.061226	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+ACN+H"	42.033826
"1213060"	214.047526	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+H"	42.033826
"1198037"	107.527401	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+2H"	43.041102
"193095"	388.99856	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Na-H"	44.97116
"633749"	561.01226	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Na-H"	44.97116
"1136163"	216.98486	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2Na-H"	44.97116
"186014"	195.002918	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+2Na"	45.978436
"618286"	281.009768	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+2Na"	45.978436
"1126899"	108.996068	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2Na"	45.978436
"1407141"	72.999804	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H+2Na"	46.985712
"1435977"	219.026446	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H+HCOOH"	47.012746
"227857"	200.03594	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+3H2O+2H"	56.04448
"1520292"	233.07849	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+IsoProp+H"	61.06479
"422781"	202.989888	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+Na+K"	61.952376
"773329"	288.996738	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+Na+K"	61.952376
"1668197"	116.983038	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+K"	61.952376
"254357"	408.043168	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+ACN+Na"	64.015768
"1231074"	236.029468	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+ACN+Na"	64.015768
"1725793"	236.052993	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4+HCOOH"	64.039293
"1180942"	80.327118	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+3Na"	68.967654
"1651924"	241.008388	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+HCOOH"	68.994688
"162069"	420.94644	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+2K-H"	76.91904
"604910"	592.96014	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+2K-H"	76.91904
"1094891"	248.93274	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2K-H"	76.91904
"151708"	210.976858	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"2M+2K"	77.926316
"591269"	296.983708	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"3M+2K"	77.926316
"1073596"	124.970008	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2K"	77.926316
"1112274"	250.947292	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2K+H"	78.933592
"1350482"	251.034907	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+DMSO+H"	79.021207
"1019983"	255.074076	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2ACN+H"	83.060376
"1533123"	256.067708	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+IsoProp+Na+H"	84.054008
"990579"	128.040676	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+2ACN+2H"	84.067652
"1588978"	256.982328	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+K+HCOOH"	84.968628
"1424122"	287.013838	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+H+CF3COOH"	115.000138
"1156596"	148.553951	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+3ACN+2H"	125.094202
"1708335"	304.040385	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+NH4+CF3COOH"	132.026685
"1642892"	308.99578	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+Na+CF3COOH"	136.98208
"1582917"	324.96972	"C03189"	"DL-Glycerol 1-phosphate;Glycerol 1-phosphate;Glycerol-3-phosphate;rac-Glycerol 1-phosphate;DL-Glyceryl 1-phosphate;DL-Glycerol 3-phosphate"	"C3H9O6P"	"172.0137"	"M+K+CF3COOH"	152.95602
"810002"	314.0684	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M"	0
"976973"	295.05001	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H2O-H"	-19.01839
"73963"	208.371657333333	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-3H"	-3.021828
"515711"	313.061124	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-3H"	-3.021828
"893516"	103.682190666667	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-3H"	-3.021828
"13908"	313.061124	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H"	-2.014552
"452737"	470.095324	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H"	-2.014552
"827259"	156.026924	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H"	-2.014552
"87252"	627.129524	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H"	-1.007276
"526820"	941.197924	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H"	-1.007276
"902434"	313.061124	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H"	-1.007276
"59002"	644.156071	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+NH4"	16.019271
"498562"	958.224471	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+NH4"	16.019271
"874179"	330.087671	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+NH4"	16.019271
"40620"	649.111466	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+Na"	20.974666
"480547"	963.179866	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+Na"	20.974666
"855066"	335.043066	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+Na"	20.974666
"1623509"	335.043066	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na-2H"	20.974666
"97850"	331.049463	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H+Cl"	33.962126
"539597"	488.083663	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H+Cl"	33.962126
"932017"	174.015263	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+Cl"	33.962126
"273853"	663.106202	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Cl"	34.969402
"666275"	977.174602	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Cl"	34.969402
"1280866"	349.037802	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl"	34.969402
"25607"	665.085406	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+K"	36.948606
"461887"	979.153806	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+K"	36.948606
"838597"	351.017006	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+K"	36.948606
"1566462"	351.017006	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K-2H"	36.948606
"957627"	359.066594	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+HCOOH"	44.998194
"375480"	673.135001	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+HCOOH-H"	44.998201
"358633"	687.150651	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Hac-H"	59.013851
"1496531"	373.082251	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Hac-H"	59.013851
"967352"	381.048551	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+NaCOOH"	66.980151
"119540"	349.037802	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Cl"	69.938804
"561287"	506.072002	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Cl"	69.938804
"1034459"	192.003602	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Cl"	69.938804
"1249663"	392.987285	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Br"	78.918885
"1308833"	395.043272	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+HCOOH"	80.974872
"1326327"	417.025229	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+NaCOOH"	102.956829
"916294"	427.053986	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+CF3COOH"	112.985586
"1293004"	463.030664	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+CF3COOH"	148.962264
"1381740"	279.055724	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-2H2O"	-35.012676
"1390853"	297.0657	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-H2O"	-17.0027
"290542"	629.144076	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H"	1.007276
"681871"	943.212476	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H"	1.007276
"1354938"	315.075676	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H"	1.007276
"139495"	315.075676	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2H"	2.014552
"572858"	472.109876	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2H"	2.014552
"1047124"	158.041476	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H"	2.014552
"211744"	210.386209333333	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H"	3.021828
"653494"	315.075676	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+3H"	3.021828
"1171623"	105.696742666667	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3H"	3.021828
"432709"	646.170623	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+NH4"	18.033823
"793704"	960.239023	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+NH4"	18.033823
"1691129"	332.102223	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4"	18.033823
"333575"	323.5889495	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+NH4"	19.041099
"731830"	480.6231495	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+NH4"	19.041099
"1479451"	166.5547495	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+NH4"	19.041099
"397768"	651.126018	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na"	22.989218
"762043"	965.194418	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na"	22.989218
"1614517"	337.057618	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na"	22.989218
"319088"	326.066647	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+Na"	23.996494
"711509"	483.100847	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+Na"	23.996494
"1469708"	169.032447	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+Na"	23.996494
"1054934"	113.024056666667	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H+Na"	25.00377
"1257496"	347.101886	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+CH3OH+H"	33.033486
"378588"	667.099958	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+K"	38.963158
"739054"	981.168358	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+K"	38.963158
"1544066"	353.031558	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K"	38.963158
"303428"	334.053617	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+K"	39.970434
"695851"	491.087817	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+K"	39.970434
"1449674"	177.019417	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+K"	39.970434
"238275"	670.170626	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+H"	42.033826
"1215355"	356.102226	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+H"	42.033826
"1197054"	178.554751	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+2H"	43.041102
"196486"	673.10796	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na-H"	44.97116
"633861"	987.17636	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na-H"	44.97116
"1135181"	359.03956	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na-H"	44.97116
"176649"	337.057618	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na"	45.978436
"620220"	494.091818	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na"	45.978436
"1125916"	180.023418	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na"	45.978436
"1407251"	120.351370666667	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+2Na"	46.985712
"1439367"	361.081146	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+HCOOH"	47.012746
"231249"	342.09064	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H2O+2H"	56.04448
"1523445"	375.13319	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+H"	61.06479
"423013"	345.044588	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na+K"	61.952376
"780001"	502.078788	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na+K"	61.952376
"1674144"	188.010388	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+K"	61.952376
"256291"	692.152568	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+Na"	64.015768
"1232281"	378.084168	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+Na"	64.015768
"1720072"	378.107693	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+HCOOH"	64.039293
"1181052"	127.678684666667	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3Na"	68.967654
"1650946"	383.063088	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+HCOOH"	68.994688
"161085"	705.05584	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K-H"	76.91904
"609396"	1019.12424	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K-H"	76.91904
"1095003"	390.98744	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K-H"	76.91904
"150725"	353.031558	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K"	77.926316
"591381"	510.065758	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K"	77.926316
"1080267"	195.997358	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K"	77.926316
"1113722"	393.001992	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K+H"	78.933592
"1349741"	393.089607	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+DMSO+H"	79.021207
"1019729"	397.128776	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+H"	83.060376
"1534330"	398.122408	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+Na+H"	84.054008
"991295"	199.068026	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+2H"	84.067652
"1589820"	399.037028	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+HCOOH"	84.968628
"1420947"	429.068538	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+CF3COOH"	115.000138
"1150142"	219.581301	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3ACN+2H"	125.094202
"1708445"	446.095085	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+CF3COOH"	132.026685
"1648106"	451.05048	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+CF3COOH"	136.98208
"1583027"	467.02442	"C03190"	"()-Bornyl-diphosphate;()-Bornyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+CF3COOH"	152.95602
"804645"	75.0684	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M"	0
"974774"	56.05001	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H2O-H"	-19.01839
"66420"	49.038324	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-3H"	-3.021828
"515820"	74.061124	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-3H"	-3.021828
"892529"	24.015524	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-3H"	-3.021828
"10009"	74.061124	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H"	-2.014552
"449570"	111.595324	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H"	-2.014552
"821903"	36.526924	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H"	-2.014552
"92600"	149.129524	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-H"	-1.007276
"533009"	224.197924	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-H"	-1.007276
"909108"	74.061124	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H"	-1.007276
"59113"	166.156071	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H+NH4"	16.019271
"499766"	241.224471	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H+NH4"	16.019271
"867727"	91.087671	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H+NH4"	16.019271
"34166"	171.111466	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H+Na"	20.974666
"475184"	246.179866	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H+Na"	20.974666
"851892"	96.043066	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H+Na"	20.974666
"1621063"	96.043066	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na-2H"	20.974666
"97954"	92.049463	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-H+Cl"	33.962126
"535453"	129.583663	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-H+Cl"	33.962126
"933220"	54.515263	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+Cl"	33.962126
"271049"	185.106202	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Cl"	34.969402
"664199"	260.174602	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+Cl"	34.969402
"1280975"	110.037802	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl"	34.969402
"21345"	187.085406	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H+K"	36.948606
"464184"	262.153806	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H+K"	36.948606
"843084"	112.017006	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H+K"	36.948606
"1562200"	112.017006	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K-2H"	36.948606
"947895"	120.066594	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+HCOOH"	44.998194
"368301"	195.135001	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+HCOOH-H"	44.998201
"355463"	209.150651	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Hac-H"	59.013851
"1498099"	134.082251	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Hac-H"	59.013851
"970742"	142.048551	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+NaCOOH"	66.980151
"119650"	110.037802	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2Cl"	69.938804
"564677"	147.572002	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2Cl"	69.938804
"1029101"	72.503602	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2Cl"	69.938804
"1248680"	153.987285	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Br"	78.918885
"1306755"	156.043272	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl+HCOOH"	80.974872
"1326442"	178.025229	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl+NaCOOH"	102.956829
"913853"	188.053986	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+CF3COOH"	112.985586
"1301865"	224.030664	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl+CF3COOH"	148.962264
"1377842"	40.055724	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H-2H2O"	-35.012676
"1390964"	58.0657	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H-H2O"	-17.0027
"289559"	151.144076	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H"	1.007276
"680890"	226.212476	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H"	1.007276
"1359426"	76.075676	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H"	1.007276
"137783"	76.075676	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2H"	2.014552
"570781"	113.609876	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2H"	2.014552
"1046142"	38.541476	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2H"	2.014552
"212949"	51.052876	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+3H"	3.021828
"654340"	76.075676	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+3H"	3.021828
"1171734"	26.030076	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+3H"	3.021828
"435006"	168.170623	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+NH4"	18.033823
"793813"	243.239023	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+NH4"	18.033823
"1684678"	93.102223	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+NH4"	18.033823
"334051"	84.5889495	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H+NH4"	19.041099
"726106"	122.1231495	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H+NH4"	19.041099
"1485761"	47.0547495	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+NH4"	19.041099
"401160"	173.126018	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Na"	22.989218
"763248"	248.194418	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+Na"	22.989218
"1606968"	98.057618	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na"	22.989218
"317370"	87.066647	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H+Na"	23.996494
"709430"	124.600847	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H+Na"	23.996494
"1463982"	49.532447	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+Na"	23.996494
"1054191"	33.35739	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2H+Na"	25.00377
"1257323"	108.101886	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+CH3OH+H"	33.033486
"377479"	189.099958	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+K"	38.963158
"739207"	264.168358	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+K"	38.963158
"1540527"	114.031558	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K"	38.963158
"299897"	95.053617	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H+K"	39.970434
"692684"	132.587817	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H+K"	39.970434
"1448329"	57.519417	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+K"	39.970434
"240574"	192.170626	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+ACN+H"	42.033826
"1211823"	117.102226	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+ACN+H"	42.033826
"1198259"	59.054751	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+ACN+2H"	43.041102
"193318"	195.10796	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2Na-H"	44.97116
"631786"	270.17636	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2Na-H"	44.97116
"1137481"	120.03956	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2Na-H"	44.97116
"182958"	98.057618	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2Na"	45.978436
"621428"	135.591818	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2Na"	45.978436
"1124933"	60.523418	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2Na"	45.978436
"1410645"	40.684704	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+2Na"	46.985712
"1441666"	122.081146	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+HCOOH"	47.012746
"235129"	103.09064	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+3H2O+2H"	56.04448
"1523438"	136.13319	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+IsoProp+H"	61.06479
"412555"	106.044588	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Na+K"	61.952376
"773551"	143.578788	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+Na+K"	61.952376
"1672068"	68.510388	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na+K"	61.952376
"256400"	214.152568	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+ACN+Na"	64.015768
"1235669"	139.084168	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+ACN+Na"	64.015768
"1717995"	139.107693	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+NH4+HCOOH"	64.039293
"1186629"	48.012018	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+3Na"	68.967654
"1657614"	144.063088	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na+HCOOH"	68.994688
"167758"	227.05584	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2K-H"	76.91904
"609141"	302.12424	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2K-H"	76.91904
"1095112"	151.98744	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2K-H"	76.91904
"149741"	114.031558	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2K"	77.926316
"591487"	151.565758	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2K"	77.926316
"1078187"	76.497358	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2K"	77.926316
"1110307"	154.001992	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2K+H"	78.933592
"1349974"	154.089607	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+DMSO+H"	79.021207
"1007563"	158.128776	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2ACN+H"	83.060376
"1525077"	159.122408	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+IsoProp+Na+H"	84.054008
"991047"	79.568026	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2ACN+2H"	84.067652
"1591016"	160.037028	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K+HCOOH"	84.968628
"1417770"	190.068538	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+CF3COOH"	115.000138
"1160099"	100.081301	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+3ACN+2H"	125.094202
"1709650"	207.095085	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+NH4+CF3COOH"	132.026685
"1648582"	212.05048	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na+CF3COOH"	136.98208
"1579857"	228.02442	"C03194"	"(R)-1-Aminopropan-2-ol;(R)-1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K+CF3COOH"	152.95602
"803662"	300.2664	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M"	0
"975372"	281.24801	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H2O-H"	-19.01839
"67623"	199.170324	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-3H"	-3.021828
"517753"	299.259124	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-3H"	-3.021828
"891545"	99.081524	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-3H"	-3.021828
"7932"	299.259124	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H"	-2.014552
"447493"	449.392324	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H"	-2.014552
"822014"	149.125924	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H"	-2.014552
"80552"	599.525524	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-H"	-1.007276
"523029"	899.791924	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-H"	-1.007276
"909218"	299.259124	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H"	-1.007276
"61167"	616.552071	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+NH4"	16.019271
"498782"	916.818471	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+NH4"	16.019271
"867470"	316.285671	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+NH4"	16.019271
"36832"	621.507466	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+Na"	20.974666
"474930"	921.773866	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+Na"	20.974666
"852366"	321.241066	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+Na"	20.974666
"1622265"	321.241066	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na-2H"	20.974666
"98063"	317.247463	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-H+Cl"	33.962126
"539815"	467.380663	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-H+Cl"	33.962126
"934423"	167.114263	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+Cl"	33.962126
"271523"	635.502202	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Cl"	34.969402
"667589"	935.768602	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Cl"	34.969402
"1281085"	335.235802	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl"	34.969402
"22548"	637.481406	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M-2H+K"	36.948606
"466482"	937.747806	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M-2H+K"	36.948606
"844287"	337.215006	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-2H+K"	36.948606
"1563403"	337.215006	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K-2H"	36.948606
"951284"	345.264594	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+HCOOH"	44.998194
"370597"	645.531001	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+HCOOH-H"	44.998201
"359705"	659.546651	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Hac-H"	59.013851
"1503312"	359.280251	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Hac-H"	59.013851
"973367"	367.246551	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+NaCOOH"	66.980151
"124135"	335.235802	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Cl"	69.938804
"564787"	485.369002	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Cl"	69.938804
"1030305"	185.102602	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Cl"	69.938804
"1249883"	379.185285	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Br"	78.918885
"1307959"	381.241272	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+HCOOH"	80.974872
"1327645"	403.223229	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+NaCOOH"	102.956829
"915785"	413.251986	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M-H+CF3COOH"	112.985586
"1301975"	449.228664	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Cl+CF3COOH"	148.962264
"1382328"	265.253724	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H-2H2O"	-35.012676
"1394354"	283.2637	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H-H2O"	-17.0027
"294043"	601.540076	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H"	1.007276
"684280"	901.806476	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H"	1.007276
"1361723"	301.273676	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H"	1.007276
"136436"	301.273676	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2H"	2.014552
"574170"	451.406876	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2H"	2.014552
"1046253"	151.140476	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2H"	2.014552
"215245"	201.184876	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+3H"	3.021828
"658818"	301.273676	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+3H"	3.021828
"1171843"	101.096076	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3H"	3.021828
"437301"	618.566623	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+NH4"	18.033823
"796109"	918.833023	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+NH4"	18.033823
"1688068"	318.300223	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4"	18.033823
"337441"	309.7869495	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+NH4"	19.041099
"729861"	459.9201495	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+NH4"	19.041099
"1488057"	159.6537495	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+NH4"	19.041099
"405644"	623.522018	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Na"	22.989218
"764453"	923.788418	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Na"	22.989218
"1614368"	323.255618	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na"	22.989218
"319302"	312.264647	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+Na"	23.996494
"710632"	462.397847	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+Na"	23.996494
"1464457"	162.131447	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+Na"	23.996494
"1055151"	108.42339	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2H+Na"	25.00377
"1257551"	333.299886	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+CH3OH+H"	33.033486
"380512"	639.495958	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+K"	38.963158
"738784"	939.762358	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+K"	38.963158
"1540272"	339.229558	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K"	38.963158
"300371"	320.251617	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+H+K"	39.970434
"693887"	470.384817	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+H+K"	39.970434
"1450261"	170.118417	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+K"	39.970434
"242871"	642.566626	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+ACN+H"	42.033826
"1213390"	342.300226	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+H"	42.033826
"1198369"	171.653751	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+2H"	43.041102
"193428"	645.50396	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Na-H"	44.97116
"632260"	945.77036	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Na-H"	44.97116
"1138684"	345.23756	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Na-H"	44.97116
"181975"	323.255618	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2Na"	45.978436
"624818"	473.388818	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2Na"	45.978436
"1127230"	173.122418	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2Na"	45.978436
"1411484"	115.750704	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+2Na"	46.985712
"1443599"	347.279146	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+HCOOH"	47.012746
"234751"	328.28864	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+3H2O+2H"	56.04448
"1522818"	361.33119	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+IsoProp+H"	61.06479
"413760"	331.242588	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+Na+K"	61.952376
"772568"	481.375788	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+Na+K"	61.952376
"1673271"	181.109388	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+K"	61.952376
"257603"	664.548568	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+ACN+Na"	64.015768
"1236873"	364.282168	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+ACN+Na"	64.015768
"1721385"	364.305693	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4+HCOOH"	64.039293
"1193059"	123.078018	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3Na"	68.967654
"1658819"	369.261088	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+HCOOH"	68.994688
"168963"	677.45184	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2K-H"	76.91904
"611318"	977.71824	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2K-H"	76.91904
"1096316"	377.18544	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K-H"	76.91904
"152038"	339.229558	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"2M+2K"	77.926316
"594758"	489.362758	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"3M+2K"	77.926316
"1081581"	189.096358	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K"	77.926316
"1112603"	379.199992	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2K+H"	78.933592
"1350448"	379.287607	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+DMSO+H"	79.021207
"1012048"	383.326776	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2ACN+H"	83.060376
"1525917"	384.320408	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+IsoProp+Na+H"	84.054008
"992614"	192.167026	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+2ACN+2H"	84.067652
"1590032"	385.235028	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K+HCOOH"	84.968628
"1416787"	415.266538	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+H+CF3COOH"	115.000138
"1156929"	212.680301	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+3ACN+2H"	125.094202
"1709760"	432.293085	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+NH4+CF3COOH"	132.026685
"1648691"	437.24848	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+Na+CF3COOH"	136.98208
"1579967"	453.22242	"C03195"	"(R)-10-Hydroxystearate"	"C18H36O3"	"300.2664"	"M+K+CF3COOH"	152.95602
"803772"	148.0372	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M"	0
"980585"	129.01881	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"64574"	97.6841906666667	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"517134"	147.029924	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"893721"	48.3384573333333	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"9136"	147.029924	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"449790"	221.048524	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"822124"	73.011324	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"79567"	295.067124	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"523869"	443.104324	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"906048"	147.029924	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"58238"	312.093671	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"501079"	460.130871	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"874508"	164.056471	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"42409"	317.049066	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"475407"	465.086266	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"855396"	169.011866	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1621646"	169.011866	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"97083"	165.018263	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"539197"	239.036863	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"934533"	90.999663	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"271633"	331.043802	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"664783"	479.081002	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1285568"	183.006602	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"22658"	333.023006	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"466592"	481.060206	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"840022"	184.985806	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1559139"	184.985806	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"951394"	193.035394	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"368518"	341.072601	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"352037"	355.088251	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1500868"	207.051051	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"970234"	215.017351	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"118777"	183.006602	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"561617"	257.025202	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1028229"	108.988002	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1249996"	226.956085	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1310257"	229.012072	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1324475"	250.994029	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"915533"	261.022786	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1302085"	296.999464	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1381707"	113.024524	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1393371"	131.0345	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"291967"	297.081676	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"684390"	445.118876	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1361833"	149.044476	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"137639"	149.044476	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"576470"	223.063076	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1046365"	75.025876	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"216451"	99.6987426666667	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"655650"	149.044476	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1169767"	50.3530093333333	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"436318"	314.108223	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"794034"	462.145423	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1684900"	166.071023	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"335365"	157.5577495	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"728878"	231.5763495	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1483794"	83.5391495	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"401381"	319.063618	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"760185"	467.100818	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1612655"	171.026418	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"317225"	160.035447	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"707251"	234.054047	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1463838"	86.016847	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1054290"	57.6803233333333	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1257461"	181.070686	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"380621"	335.037558	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"738651"	483.074758	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1543305"	187.000358	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"302670"	168.022417	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"695821"	242.041017	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1449278"	94.003817	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"244080"	338.108226	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1217882"	190.071026	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1199577"	95.539151	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"202292"	341.04556	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"640759"	489.08276	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1138796"	193.00836	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"182085"	171.026418	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"627845"	245.045018	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1127341"	97.007818	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1412323"	65.0076373333333	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1445495"	195.049946	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"234499"	176.05944	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1520739"	209.10199	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"416057"	179.013388	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"777054"	253.031988	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1673385"	104.994788	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"258811"	360.090168	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1233706"	212.052968	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1719310"	212.076493	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1184667"	72.3349513333333	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1658931"	217.031888	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"172234"	372.99344	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"608634"	521.03064	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1097521"	224.95624	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"154335"	187.000358	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"592804"	261.018958	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1082541"	112.981758	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1108337"	226.970792	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1350558"	227.058407	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1009971"	231.097576	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1528459"	232.091208	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"996736"	116.052426	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1589416"	233.005828	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1416900"	263.037338	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1150108"	136.565701	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1702213"	280.063885	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1642238"	285.01928	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1576797"	300.99322	"C03196"	"(S)-2-Hydroxyglutarate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"803882"	104.0473	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M"	0
"980696"	85.02891	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"66750"	68.3575906666667	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"515057"	103.040024	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"888485"	33.6751573333333	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"10339"	103.040024	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"449900"	155.063674	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"823328"	51.016374	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"80406"	207.087324	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"519721"	311.134624	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"906158"	103.040024	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"59441"	224.113871	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"500096"	328.161171	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"875712"	120.066571	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"43612"	229.069266	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"474790"	333.116566	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"852227"	125.021966	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1620302"	125.021966	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"98290"	121.028363	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"536755"	173.052013	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"929175"	69.004713	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"271014"	243.064002	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"664528"	347.111302	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1282397"	139.016702	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"18396"	245.043206	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"461234"	349.090506	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"845600"	140.995906	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1563624"	140.995906	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"951507"	149.045494	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"373004"	253.092801	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"351420"	267.108451	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1501345"	163.061151	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"969979"	171.027451	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"117794"	139.016702	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"559541"	191.040352	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1025059"	86.993052	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1246826"	182.966185	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1304575"	185.022172	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1322398"	207.004129	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"911511"	217.032886	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1295634"	253.009564	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1381087"	69.034624	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1395668"	87.0446	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"288796"	209.101876	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"682313"	313.149176	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1360850"	105.054576	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"137386"	105.054576	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"577312"	157.078226	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1047567"	53.030926	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"216561"	70.3721426666667	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"657584"	105.054576	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1170970"	35.6897093333333	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"433148"	226.128423	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"798153"	330.175723	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1687198"	122.081123	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"337663"	113.5678495	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"730082"	165.5914995	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1482809"	61.5441995	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"402584"	231.083818	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"761390"	335.131118	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1613858"	127.036518	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"319521"	116.045547	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"710851"	168.069197	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1466864"	64.021897	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1054037"	43.0170233333333	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1259604"	137.080786	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"381462"	247.057758	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"740996"	351.105058	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1543415"	143.010458	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"302781"	124.032517	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"697392"	176.056167	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1451212"	72.008867	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"244190"	250.128426	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1217992"	146.081126	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1199687"	73.544201	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"202402"	253.06576	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"639776"	357.11306	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1137813"	149.01846	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"182195"	127.036518	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"626498"	179.060168	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1125994"	75.012868	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1410611"	50.3443373333333	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1444550"	151.060046	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"230236"	132.06954	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1521578"	165.11209	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"420542"	135.023488	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"774248"	187.047138	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1668755"	82.999838	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"262202"	272.110368	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1237098"	168.063068	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1720516"	168.086593	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1185870"	57.6716513333333	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1659042"	173.041988	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"171372"	285.01364	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"610930"	389.06094	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1098603"	180.96634	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"153352"	143.010458	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"594007"	195.034108	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1081557"	90.986808	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1112700"	182.980892	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1348965"	183.068507	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1007283"	187.107676	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1528205"	188.101308	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"992105"	94.057476	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1591348"	189.015928	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1418103"	219.047438	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1149486"	114.570751	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1701230"	236.073985	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1635787"	241.02938	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1576907"	257.00332	"C03197"	"(S)-3-Hydroxybutanoate"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"803992"	168.0423	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M"	0
"984086"	149.02391	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"69046"	111.020924	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"514074"	167.035024	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"890782"	55.006824	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"9356"	167.035024	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"450009"	251.056174	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"819064"	83.013874	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"79786"	335.077324	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"519712"	503.119624	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"907361"	167.035024	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"60281"	352.103871	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"500203"	520.146171	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"876674"	184.061571	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"42628"	357.059266	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"473441"	525.101566	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"853429"	189.016966	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1621869"	189.016966	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"99493"	185.023363	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"537958"	269.044513	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"931472"	101.002213	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"268937"	371.054002	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"667918"	539.096302	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1282507"	203.011702	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"18506"	373.033206	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"463531"	541.075506	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"843524"	204.990906	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1559361"	204.990906	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"947972"	213.040494	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"366917"	381.082801	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"351529"	395.098451	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1499266"	227.056151	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"965717"	235.022451	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"114623"	203.011702	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"558556"	287.032852	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1027353"	118.990552	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1246933"	246.961185	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1305009"	249.017172	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1321779"	270.999129	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"911737"	281.027886	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1295744"	317.004564	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1375002"	133.029624	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1393591"	151.0396	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"288905"	337.091876	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"681330"	505.134176	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1359867"	169.049576	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"138224"	169.049576	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"577785"	253.070726	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1049500"	85.028426	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"216671"	113.035476	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"658061"	169.049576	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1174728"	57.021376	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"435447"	354.118423	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"796441"	522.160723	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1688402"	186.076123	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"338867"	177.5628495	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"729099"	261.5839995	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1486201"	93.5416995	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"404882"	359.073818	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"763688"	527.116118	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1613969"	191.031518	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"320724"	180.040547	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"712055"	264.061697	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1466974"	96.019397	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1056944"	64.34869	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1261902"	201.075786	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"382665"	375.047758	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"741471"	543.090058	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1542795"	207.005458	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"303255"	188.027517	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"695315"	272.048667	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1451322"	104.006367	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"243207"	378.118426	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1217009"	210.076126	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1200890"	105.541701	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"202512"	381.05576	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"636605"	549.09806	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1137923"	213.01346	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"180117"	191.031518	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"625879"	275.052668	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1126834"	107.010368	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1409628"	71.676004	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1444906"	215.055046	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"233627"	196.06454	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1521689"	229.10709	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"418465"	199.018488	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"774358"	283.039638	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1668500"	114.997338	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"261219"	400.100368	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1237208"	232.058068	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1721719"	232.081593	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1188167"	79.003318	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1659154"	237.036988	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"167106"	413.00364	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"608853"	581.04594	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1096647"	244.96134	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"151275"	207.005458	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"594847"	291.026608	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1082763"	122.984308	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1112811"	246.975892	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1348224"	247.063507	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1010190"	251.102676	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1525642"	252.096308	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"992580"	126.054976	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1590365"	253.010928	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1418210"	283.042438	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1148137"	146.568251	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1701340"	300.068985	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1636990"	305.02438	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1577017"	320.99832	"C03198"	"(S)-4-Hydroxymandelate;(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate;L-4-Hydroxymandelate;L-p-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"812852"	400.3189	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M"	0
"980917"	381.30051	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-H2O-H"	-19.01839
"70253"	265.871990666667	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M-3H"	-3.021828
"507626"	399.311624	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M-3H"	-3.021828
"884333"	132.432357333333	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-3H"	-3.021828
"7281"	399.311624	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M-2H"	-2.014552
"441739"	599.471074	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M-2H"	-2.014552
"820269"	199.152174	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-2H"	-2.014552
"82448"	799.630524	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M-H"	-1.007276
"525295"	1199.949424	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M-H"	-1.007276
"907477"	399.311624	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-H"	-1.007276
"60273"	816.657071	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M-2H+NH4"	16.019271
"498131"	1216.975971	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M-2H+NH4"	16.019271
"874839"	416.338171	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-2H+NH4"	16.019271
"40551"	821.612466	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M-2H+Na"	20.974666
"477924"	1221.931366	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M-2H+Na"	20.974666
"855727"	421.293566	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-2H+Na"	20.974666
"1619911"	421.293566	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Na-2H"	20.974666
"96683"	417.299963	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M-H+Cl"	33.962126
"536974"	617.459413	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M-H+Cl"	33.962126
"930492"	217.140513	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-H+Cl"	33.962126
"274516"	835.607202	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+Cl"	34.969402
"665843"	1235.926102	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+Cl"	34.969402
"1281527"	435.288302	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Cl"	34.969402
"21897"	837.586406	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M-2H+K"	36.948606
"462553"	1237.905306	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M-2H+K"	36.948606
"841451"	437.267506	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-2H+K"	36.948606
"1563845"	437.267506	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+K-2H"	36.948606
"949542"	445.317094	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-H+HCOOH"	44.998194
"367758"	845.636001	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+HCOOH-H"	44.998201
"351640"	859.651651	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+Hac-H"	59.013851
"1497191"	459.332751	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Hac-H"	59.013851
"964735"	467.299051	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-H+NaCOOH"	66.980151
"118016"	435.288302	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+2Cl"	69.938804
"555390"	635.447752	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+2Cl"	69.938804
"1025282"	235.128852	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2Cl"	69.938804
"1243036"	479.237785	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Br"	78.918885
"1314967"	481.293772	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Cl+HCOOH"	80.974872
"1332466"	503.275729	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Cl+NaCOOH"	102.956829
"922798"	513.304486	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M-H+CF3COOH"	112.985586
"1296954"	549.281164	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Cl+CF3COOH"	148.962264
"1377301"	365.306224	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H-2H2O"	-35.012676
"1386780"	383.3162	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H-H2O"	-17.0027
"290110"	801.645076	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+H"	1.007276
"682533"	1201.963976	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+H"	1.007276
"1356695"	401.326176	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H"	1.007276
"132867"	401.326176	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+2H"	2.014552
"576801"	601.485626	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+2H"	2.014552
"1048154"	201.166726	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2H"	2.014552
"216784"	267.886542666667	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+3H"	3.021828
"656345"	401.326176	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+3H"	3.021828
"1176294"	134.446909333333	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+3H"	3.021828
"435559"	818.671623	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+NH4"	18.033823
"797645"	1218.990523	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+NH4"	18.033823
"1691791"	418.352723	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+NH4"	18.033823
"337883"	409.8394495	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+H+NH4"	19.041099
"736498"	609.9988995	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+H+NH4"	19.041099
"1491047"	209.6799995	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H+NH4"	19.041099
"405721"	823.627018	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+Na"	22.989218
"766716"	1223.945918	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+Na"	22.989218
"1607524"	423.308118	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Na"	22.989218
"320842"	412.317147	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+H+Na"	23.996494
"715450"	612.476597	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+H+Na"	23.996494
"1467090"	212.157697	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H+Na"	23.996494
"1055961"	141.774223333333	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2H+Na"	25.00377
"1265293"	433.352386	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+CH3OH+H"	33.033486
"383868"	839.600958	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+K"	38.963158
"741213"	1239.919858	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+K"	38.963158
"1545829"	439.282058	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+K"	38.963158
"303004"	420.304117	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+H+K"	39.970434
"694329"	620.463567	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+H+K"	39.970434
"1456904"	220.144667	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H+K"	39.970434
"241132"	842.671626	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+ACN+H"	42.033826
"1212747"	442.352726	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+ACN+H"	42.033826
"1207566"	221.680001	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+ACN+2H"	43.041102
"200437"	845.60896	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+2Na-H"	44.97116
"635622"	1245.92786	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+2Na-H"	44.97116
"1135846"	445.29006	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2Na-H"	44.97116
"183512"	423.308118	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+2Na"	45.978436
"620887"	623.467568	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+2Na"	45.978436
"1125486"	223.148668	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2Na"	45.978436
"1404636"	149.101537333333	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H+2Na"	46.985712
"1437480"	447.331646	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H+HCOOH"	47.012746
"226447"	428.34114	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+3H2O+2H"	56.04448
"1515604"	461.38369	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+IsoProp+H"	61.06479
"415298"	431.295088	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+Na+K"	61.952376
"771188"	631.454538	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+Na+K"	61.952376
"1670435"	231.135638	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Na+K"	61.952376
"255132"	864.653568	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+ACN+Na"	64.015768
"1229298"	464.334668	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+ACN+Na"	64.015768
"1714537"	464.358193	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+NH4+HCOOH"	64.039293
"1184995"	156.428851333333	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+3Na"	68.967654
"1659263"	469.313588	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Na+HCOOH"	68.994688
"161747"	877.55684	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+2K-H"	76.91904
"598756"	1277.87574	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+2K-H"	76.91904
"1085090"	477.23794	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2K-H"	76.91904
"143001"	439.282058	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"2M+2K"	77.926316
"584384"	639.441508	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"3M+2K"	77.926316
"1070355"	239.122608	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2K"	77.926316
"1102105"	479.252492	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2K+H"	78.933592
"1341771"	479.340107	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+DMSO+H"	79.021207
"1007142"	483.379276	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2ACN+H"	83.060376
"1529525"	484.372908	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+IsoProp+Na+H"	84.054008
"994884"	242.193276	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+2ACN+2H"	84.067652
"1592667"	485.287528	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+K+HCOOH"	84.968628
"1418330"	515.319038	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+H+CF3COOH"	115.000138
"1151897"	262.706551	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+3ACN+2H"	125.094202
"1704732"	532.345585	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+NH4+CF3COOH"	132.026685
"1642570"	537.30098	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+Na+CF3COOH"	136.98208
"1577127"	553.27492	"C03199"	"12-Didecanoylglycerol;12-Didecanoyl-sn-glycerol"	"C23H44O5"	"400.3189"	"M+K+CF3COOH"	152.95602
"804214"	188.0473	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M"	0
"981027"	169.02891	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-H2O-H"	-19.01839
"67083"	124.357590666667	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M-3H"	-3.021828
"507736"	187.040024	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M-3H"	-3.021828
"885537"	61.6751573333333	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-3H"	-3.021828
"3020"	187.040024	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M-2H"	-2.014552
"441121"	281.063674	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M-2H"	-2.014552
"817826"	93.016374	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-2H"	-2.014552
"91315"	375.087324	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M-H"	-1.007276
"533433"	563.134624	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M-H"	-1.007276
"910870"	187.040024	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-H"	-1.007276
"59771"	392.113871	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M-2H+NH4"	16.019271
"499331"	580.161171	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M-2H+NH4"	16.019271
"876040"	204.066571	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-2H+NH4"	16.019271
"36286"	397.069266	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M-2H+Na"	20.974666
"475117"	585.116566	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M-2H+Na"	20.974666
"850733"	209.021966	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-2H+Na"	20.974666
"1621360"	209.021966	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Na-2H"	20.974666
"96433"	205.028363	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M-H+Cl"	33.962126
"537088"	299.052013	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M-H+Cl"	33.962126
"928779"	111.004713	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-H+Cl"	33.962126
"270615"	411.064002	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+Cl"	34.969402
"662673"	599.111302	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+Cl"	34.969402
"1278358"	223.016702	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Cl"	34.969402
"25290"	413.043206	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M-2H+K"	36.948606
"465945"	601.090506	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M-2H+K"	36.948606
"843746"	224.995906	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-2H+K"	36.948606
"1565050"	224.995906	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+K-2H"	36.948606
"954027"	233.045494	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-H+HCOOH"	44.998194
"374430"	421.092801	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+HCOOH-H"	44.998201
"358312"	435.108451	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+Hac-H"	59.013851
"1499490"	247.061151	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Hac-H"	59.013851
"968125"	255.027451	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-H+NaCOOH"	66.980151
"114846"	223.016702	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+2Cl"	69.938804
"558781"	317.040352	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+2Cl"	69.938804
"1031957"	128.993052	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2Cl"	69.938804
"1252995"	266.966185	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Br"	78.918885
"1312895"	269.022172	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Cl+HCOOH"	80.974872
"1328206"	291.004129	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Cl+NaCOOH"	102.956829
"919262"	301.032886	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M-H+CF3COOH"	112.985586
"1295971"	337.009564	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Cl+CF3COOH"	148.962264
"1374131"	153.034624	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H-2H2O"	-35.012676
"1392357"	171.0446	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H-H2O"	-17.0027
"290219"	377.101876	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+H"	1.007276
"684828"	565.149176	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+H"	1.007276
"1358990"	189.054576	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H"	1.007276
"134068"	189.054576	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+2H"	2.014552
"571443"	283.078226	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+2H"	2.014552
"1044618"	95.030926	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2H"	2.014552
"207054"	126.372142666667	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+3H"	3.021828
"649895"	189.054576	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+3H"	3.021828
"1172395"	63.6897093333333	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+3H"	3.021828
"426919"	394.128423	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+NH4"	18.033823
"791196"	582.175723	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+NH4"	18.033823
"1694087"	206.081123	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+NH4"	18.033823
"342361"	197.5678495	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+H+NH4"	19.041099
"734783"	291.5914995	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+H+NH4"	19.041099
"1489698"	103.5441995	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H+NH4"	19.041099
"394283"	399.083818	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+Na"	22.989218
"758444"	587.131118	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+Na"	22.989218
"1613106"	211.036518	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Na"	22.989218
"320957"	200.045547	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+H+Na"	23.996494
"714474"	294.069197	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+H+Na"	23.996494
"1468293"	106.021897	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H+Na"	23.996494
"1054366"	71.0170233333333	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2H+Na"	25.00377
"1265405"	221.080786	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+CH3OH+H"	33.033486
"386169"	415.057758	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+K"	38.963158
"746074"	603.105058	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+K"	38.963158
"1550315"	227.010458	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+K"	38.963158
"307494"	208.032517	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+H+K"	39.970434
"697727"	302.056167	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+H+K"	39.970434
"1455922"	114.008867	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H+K"	39.970434
"242337"	418.128426	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+ACN+H"	42.033826
"1212858"	230.081126	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+ACN+H"	42.033826
"1201115"	115.544201	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+ACN+2H"	43.041102
"195079"	421.06576	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+2Na-H"	44.97116
"640108"	609.11306	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+2Na-H"	44.97116
"1144345"	233.01846	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2Na-H"	44.97116
"183625"	211.036518	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+2Na"	45.978436
"623186"	305.060168	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+2Na"	45.978436
"1125600"	117.012868	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2Na"	45.978436
"1410215"	78.3443373333333	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H+2Na"	46.985712
"1433584"	235.060046	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H+HCOOH"	47.012746
"224745"	216.06954	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+3H2O+2H"	56.04448
"1514628"	249.11209	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+IsoProp+H"	61.06479
"412492"	219.023488	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+Na+K"	61.952376
"772758"	313.047138	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+Na+K"	61.952376
"1666902"	124.999838	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Na+K"	61.952376
"252082"	440.110368	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+ACN+Na"	64.015768
"1226042"	252.063068	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+ACN+Na"	64.015768
"1712983"	252.086593	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+NH4+HCOOH"	64.039293
"1178619"	85.6716513333333	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+3Na"	68.967654
"1652079"	257.041988	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Na+HCOOH"	68.994688
"157726"	453.01364	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+2K-H"	76.91904
"597648"	641.06094	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+2K-H"	76.91904
"1084470"	264.96634	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2K-H"	76.91904
"142377"	227.010458	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"2M+2K"	77.926316
"584496"	321.034108	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"3M+2K"	77.926316
"1068675"	132.986808	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2K"	77.926316
"1101364"	266.980892	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2K+H"	78.933592
"1336780"	267.068507	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+DMSO+H"	79.021207
"1008960"	271.107676	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2ACN+H"	83.060376
"1527450"	272.101308	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+IsoProp+Na+H"	84.054008
"994263"	136.057476	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+2ACN+2H"	84.067652
"1589131"	273.015928	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+K+HCOOH"	84.968628
"1416254"	303.047438	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+H+CF3COOH"	115.000138
"1160759"	156.570751	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+3ACN+2H"	125.094202
"1701563"	320.073985	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+NH4+CF3COOH"	132.026685
"1639400"	325.02938	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+Na+CF3COOH"	136.98208
"1573958"	341.00332	"C03203"	"1-Hydroxy-2-naphthoate;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid"	"C11H8O3"	"188.0473"	"M+K+CF3COOH"	152.95602
"804324"	471.1502	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M"	0
"981136"	452.13181	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-H2O-H"	-19.01839
"67193"	313.092857333333	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M-3H"	-3.021828
"507846"	470.142924	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M-3H"	-3.021828
"884553"	156.042790666667	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-3H"	-3.021828
"1065"	470.142924	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M-2H"	-2.014552
"440619"	705.718024	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M-2H"	-2.014552
"818662"	234.567824	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-2H"	-2.014552
"90332"	941.293124	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M-H"	-1.007276
"530985"	1412.443324	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M-H"	-1.007276
"908785"	470.142924	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-H"	-1.007276
"60974"	958.319671	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M-2H+NH4"	16.019271
"500534"	1429.469871	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M-2H+NH4"	16.019271
"872870"	487.169471	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-2H+NH4"	16.019271
"36396"	963.275066	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M-2H+Na"	20.974666
"475956"	1434.425266	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M-2H+Na"	20.974666
"849990"	492.124866	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-2H+Na"	20.974666
"1621467"	492.124866	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Na-2H"	20.974666
"96543"	488.131263	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M-H+Cl"	33.962126
"537198"	723.706363	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M-H+Cl"	33.962126
"928525"	252.556163	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-H+Cl"	33.962126
"269632"	977.269802	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+Cl"	34.969402
"662783"	1448.420002	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+Cl"	34.969402
"1278468"	506.119602	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Cl"	34.969402
"24307"	979.249006	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M-2H+K"	36.948606
"466055"	1450.399206	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M-2H+K"	36.948606
"841670"	508.098806	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-2H+K"	36.948606
"1567347"	508.098806	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+K-2H"	36.948606
"953044"	516.148394	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-H+HCOOH"	44.998194
"376000"	987.298601	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+HCOOH-H"	44.998201
"360857"	1001.314251	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+Hac-H"	59.013851
"1505068"	530.164051	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Hac-H"	59.013851
"968235"	538.130351	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-H+NaCOOH"	66.980151
"120424"	506.119602	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+2Cl"	69.938804
"558891"	741.694702	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+2Cl"	69.938804
"1032067"	270.544502	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2Cl"	69.938804
"1253469"	550.069085	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Br"	78.918885
"1314098"	552.125072	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Cl+HCOOH"	80.974872
"1329409"	574.107029	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Cl+NaCOOH"	102.956829
"919373"	584.135786	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M-H+CF3COOH"	112.985586
"1296081"	620.112464	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Cl+CF3COOH"	148.962264
"1372055"	436.137524	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H-2H2O"	-35.012676
"1389552"	454.1475	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H-H2O"	-17.0027
"290329"	943.307676	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+H"	1.007276
"683845"	1414.457876	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+H"	1.007276
"1358009"	472.157476	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H"	1.007276
"133086"	472.157476	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+2H"	2.014552
"572647"	707.732576	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+2H"	2.014552
"1046915"	236.582376	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2H"	2.014552
"208258"	315.107409333333	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+3H"	3.021828
"650005"	472.157476	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+3H"	3.021828
"1171413"	158.057342666667	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+3H"	3.021828
"429217"	960.334223	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+NH4"	18.033823
"793493"	1431.484423	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+NH4"	18.033823
"1694924"	489.184023	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+NH4"	18.033823
"342472"	480.6707495	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+H+NH4"	19.041099
"732706"	716.2458495	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+H+NH4"	19.041099
"1487621"	245.0956495	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H+NH4"	19.041099
"396095"	965.289618	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+Na"	22.989218
"755395"	1436.439818	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+Na"	22.989218
"1614309"	494.139418	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Na"	22.989218
"321067"	483.148447	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+H+Na"	23.996494
"715678"	718.723547	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+H+Na"	23.996494
"1470590"	247.573347	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H+Na"	23.996494
"1057271"	165.384656666667	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2H+Na"	25.00377
"1266608"	504.183686	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+CH3OH+H"	33.033486
"387375"	981.263558	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+K"	38.963158
"747277"	1452.413758	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+K"	38.963158
"1549332"	510.113358	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+K"	38.963158
"311978"	491.135417	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+H+K"	39.970434
"703305"	726.710517	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+H+K"	39.970434
"1451658"	255.560317	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H+K"	39.970434
"242447"	984.334226	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+ACN+H"	42.033826
"1212968"	513.184026	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+ACN+H"	42.033826
"1200132"	257.095651	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+ACN+2H"	43.041102
"195189"	987.27156	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+2Na-H"	44.97116
"640218"	1458.42176	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+2Na-H"	44.97116
"1142634"	516.12136	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2Na-H"	44.97116
"183735"	494.139418	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+2Na"	45.978436
"623297"	729.714518	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+2Na"	45.978436
"1126804"	258.564318	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2Na"	45.978436
"1408138"	172.711970666667	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H+2Na"	46.985712
"1432235"	518.162946	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H+HCOOH"	47.012746
"232147"	499.17244	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+3H2O+2H"	56.04448
"1519112"	532.21499	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+IsoProp+H"	61.06479
"418801"	502.126388	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+Na+K"	61.952376
"778700"	737.701488	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+Na+K"	61.952376
"1667740"	266.551288	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Na+K"	61.952376
"252192"	1006.316168	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+ACN+Na"	64.015768
"1226234"	535.165968	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+ACN+Na"	64.015768
"1712752"	535.189493	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+NH4+HCOOH"	64.039293
"1178648"	180.039284666667	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+3Na"	68.967654
"1651096"	540.144888	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Na+HCOOH"	68.994688
"157592"	1019.21944	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+2K-H"	76.91904
"597884"	1490.36964	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+2K-H"	76.91904
"1085064"	548.06924	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2K-H"	76.91904
"141757"	510.113358	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"2M+2K"	77.926316
"582292"	745.688458	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"3M+2K"	77.926316
"1069478"	274.538258	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2K"	77.926316
"1100379"	550.083792	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2K+H"	78.933592
"1337254"	550.171407	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+DMSO+H"	79.021207
"1010530"	554.210576	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2ACN+H"	83.060376
"1528657"	555.204208	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+IsoProp+Na+H"	84.054008
"995102"	277.608926	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+2ACN+2H"	84.067652
"1589605"	556.118828	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+K+HCOOH"	84.968628
"1415510"	586.150338	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+H+CF3COOH"	115.000138
"1157589"	298.122201	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+3ACN+2H"	125.094202
"1701673"	603.176885	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+NH4+CF3COOH"	132.026685
"1639510"	608.13228	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+Na+CF3COOH"	136.98208
"1574068"	624.10622	"C03204"	"10-Formyldihydrofolate"	"C20H21N7O7"	"471.1502"	"M+K+CF3COOH"	152.95602
"807714"	330.2195	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M"	0
"977966"	311.20111	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"68396"	219.139057333333	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"513424"	329.212224	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"885758"	109.065890666667	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"3239"	329.212224	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"442067"	494.321974	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"818772"	164.102474	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"83880"	659.431724	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"531095"	989.651224	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"908896"	329.212224	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"59991"	676.458271	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"495178"	1006.677771	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"875168"	346.238771	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"35414"	681.413666	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"473880"	1011.633166	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"852777"	351.194166	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1620487"	351.194166	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"96653"	347.200563	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"540588"	512.310313	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"930822"	182.090813	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"271566"	695.408402	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"665081"	1025.627902	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1281859"	365.188902	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"21137"	697.387606	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"463978"	1027.607106	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"841780"	367.168106	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1565270"	367.168106	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"953154"	375.217694	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"374897"	705.437201	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"359265"	719.452851	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1507974"	389.233351	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"971625"	397.199651	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"119441"	365.188902	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"559001"	530.298652	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1032177"	200.079152	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1253943"	409.138385	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1317488"	411.194372	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1331706"	433.176329	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"920576"	443.205086	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1297285"	479.181764	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1376539"	295.206824	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1390755"	313.2168	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"286068"	661.446276	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"680678"	991.665776	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1358489"	331.226776	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"131742"	331.226776	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"572759"	496.336526	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1046299"	166.117026	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"209463"	221.153609333333	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"653396"	331.226776	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1169335"	111.080442666667	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"425196"	678.472823	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"790322"	1008.692323	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1689933"	348.253323	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"336026"	339.7400495	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"731724"	504.8497995	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1485543"	174.6302995	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"393528"	683.428218	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"754255"	1013.647718	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1614418"	353.208718	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"321177"	342.217747	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"715788"	507.327497	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1469243"	177.107997	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1055194"	118.407756666667	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1264531"	363.252986	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"387484"	699.402158	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"745203"	1029.621658	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1549441"	369.182658	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"309902"	350.204717	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"703415"	515.314467	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1455049"	185.094967	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"242557"	702.472826	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1216358"	372.253326	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1200241"	186.630301	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"197486"	705.41016	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"640330"	1035.62966	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1139829"	375.19066	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"180566"	353.208718	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"619033"	518.318468	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1125457"	188.098968	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1407522"	125.735070666667	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1437084"	377.232246	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"232257"	358.24174	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1519222"	391.28429	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"420004"	361.195688	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"777717"	526.305438	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1666755"	196.085938	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"251817"	724.454768	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1226102"	394.235268	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1713163"	394.258793	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1179128"	133.062384666667	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1650556"	399.214188	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"157189"	737.35804	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"597630"	1067.57754	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1084973"	407.13854	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"142112"	369.182658	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"583985"	534.292408	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1069225"	204.072908	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1102434"	409.153092	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1335826"	409.240707	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1009181"	413.279876	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1527670"	414.273508	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"991930"	207.143576	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1591904"	415.188128	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1416474"	445.219638	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1157699"	227.656851	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1705063"	462.246185	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1639620"	467.20158	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1577458"	483.17552	"C03205"	"11-Deoxycorticosterone;Deoxycorticosterone;Cortexone;21-Hydroxy-4-pregnene-320-dione;Desoxycortone;DOC"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"805637"	442.1376	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M"	0
"975888"	423.11921	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-H2O-H"	-19.01839
"68505"	293.751124	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M-3H"	-3.021828
"510254"	441.130324	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M-3H"	-3.021828
"885868"	146.371924	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-3H"	-3.021828
"3349"	441.130324	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M-2H"	-2.014552
"441084"	662.199124	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M-2H"	-2.014552
"818519"	220.061524	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-2H"	-2.014552
"82895"	883.267924	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M-H"	-1.007276
"530477"	1325.405524	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M-H"	-1.007276
"905726"	441.130324	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-H"	-1.007276
"60466"	900.294471	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M-2H+NH4"	16.019271
"494194"	1342.432071	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M-2H+NH4"	16.019271
"870904"	458.156871	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-2H+NH4"	16.019271
"35524"	905.249866	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M-2H+Na"	20.974666
"472530"	1347.387466	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M-2H+Na"	20.974666
"853980"	463.112266	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-2H+Na"	20.974666
"1620233"	463.112266	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Na-2H"	20.974666
"96763"	459.118663	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M-H+Cl"	33.962126
"540698"	680.187463	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M-H+Cl"	33.962126
"930932"	238.049863	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-H+Cl"	33.962126
"271676"	919.244602	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+Cl"	34.969402
"666284"	1361.382202	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+Cl"	34.969402
"1281969"	477.107002	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Cl"	34.969402
"22340"	921.223806	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M-2H+K"	36.948606
"464088"	1363.361406	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M-2H+K"	36.948606
"839704"	479.086206	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-2H+K"	36.948606
"1565380"	479.086206	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+K-2H"	36.948606
"952170"	487.135794	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-H+HCOOH"	44.998194
"375127"	929.273401	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+HCOOH-H"	44.998201
"359375"	943.289051	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+Hac-H"	59.013851
"1505288"	501.151451	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Hac-H"	59.013851
"971735"	509.117751	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-H+NaCOOH"	66.980151
"119551"	477.107002	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+2Cl"	69.938804
"558018"	698.175802	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+2Cl"	69.938804
"1032287"	256.038202	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2Cl"	69.938804
"1254053"	521.056485	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Br"	78.918885
"1315411"	523.112472	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Cl+HCOOH"	80.974872
"1330720"	545.094429	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Cl+NaCOOH"	102.956829
"918499"	555.123186	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M-H+CF3COOH"	112.985586
"1294114"	591.099864	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Cl+CF3COOH"	148.962264
"1372275"	407.124924	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H-2H2O"	-35.012676
"1390865"	425.1349	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H-H2O"	-17.0027
"289458"	885.282476	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+H"	1.007276
"680788"	1327.420076	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+H"	1.007276
"1358233"	443.144876	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H"	1.007276
"134403"	443.144876	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+2H"	2.014552
"575056"	664.213676	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+2H"	2.014552
"1047866"	222.076076	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2H"	2.014552
"211760"	295.765676	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+3H"	3.021828
"649135"	443.144876	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+3H"	3.021828
"1167258"	148.386476	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+3H"	3.021828
"424697"	902.309023	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+NH4"	18.033823
"789340"	1344.446623	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+NH4"	18.033823
"1691136"	460.171423	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+NH4"	18.033823
"336136"	451.6581495	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+H+NH4"	19.041099
"731833"	672.7269495	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+H+NH4"	19.041099
"1485653"	230.5893495	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H+NH4"	19.041099
"393395"	907.264418	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+Na"	22.989218
"754764"	1349.402018	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+Na"	22.989218
"1607967"	465.126818	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Na"	22.989218
"324566"	454.135847	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+H+Na"	23.996494
"712617"	675.204647	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+H+Na"	23.996494
"1468622"	233.067047	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H+Na"	23.996494
"1053479"	155.71379	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2H+Na"	25.00377
"1264641"	475.171086	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+CH3OH+H"	33.033486
"386497"	923.238358	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+K"	38.963158
"748589"	1365.375958	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+K"	38.963158
"1547365"	481.100758	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+K"	38.963158
"308918"	462.122817	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+H+K"	39.970434
"703161"	683.191617	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+H+K"	39.970434
"1455159"	241.054017	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H+K"	39.970434
"243760"	926.309026	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+ACN+H"	42.033826
"1216468"	484.171426	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+ACN+H"	42.033826
"1200351"	242.589351	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+ACN+2H"	43.041102
"198326"	929.24636	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+2Na-H"	44.97116
"640075"	1371.38396	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+2Na-H"	44.97116
"1141032"	487.10876	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2Na-H"	44.97116
"177396"	465.126818	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+2Na"	45.978436
"620236"	686.195618	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+2Na"	45.978436
"1122649"	244.058018	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2Na"	45.978436
"1409455"	163.041104	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H+2Na"	46.985712
"1430997"	489.150346	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H+HCOOH"	47.012746
"232363"	470.15984	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+3H2O+2H"	56.04448
"1518239"	503.20239	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+IsoProp+H"	61.06479
"419020"	473.113788	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+Na+K"	61.952376
"777828"	694.182588	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+Na+K"	61.952376
"1667595"	252.044988	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Na+K"	61.952376
"251492"	948.290968	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+ACN+Na"	64.015768
"1225622"	506.153368	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+ACN+Na"	64.015768
"1712738"	506.176893	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+NH4+HCOOH"	64.039293
"1178868"	170.368418	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+3Na"	68.967654
"1650587"	511.132288	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Na+HCOOH"	68.994688
"158911"	961.19424	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+2K-H"	76.91904
"597738"	1403.33184	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+2K-H"	76.91904
"1084474"	519.05664	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2K-H"	76.91904
"142347"	481.100758	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"2M+2K"	77.926316
"582879"	702.169558	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"3M+2K"	77.926316
"1070793"	260.031958	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2K"	77.926316
"1101452"	521.071192	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2K+H"	78.933592
"1336747"	521.158807	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+DMSO+H"	79.021207
"1009656"	525.197976	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2ACN+H"	83.060376
"1527780"	526.191608	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+IsoProp+Na+H"	84.054008
"992040"	263.102626	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+2ACN+2H"	84.067652
"1592014"	527.106228	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+K+HCOOH"	84.968628
"1416581"	557.137738	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+H+CF3COOH"	115.000138
"1152340"	283.615901	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+3ACN+2H"	125.094202
"1705173"	574.164285	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+NH4+CF3COOH"	132.026685
"1637543"	579.11968	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+Na+CF3COOH"	136.98208
"1577568"	595.09362	"C03206"	"5a11a-Dehydrotetracycline;12-Dehydrotetracycline"	"C22H22N2O8"	"442.1376"	"M+K+CF3COOH"	152.95602
"814496"	312.2089	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M"	0
"981467"	293.19051	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"77364"	207.131990666667	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"510364"	311.201624	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"884885"	103.062357333333	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"10020"	311.201624	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"447397"	467.306074	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"826292"	155.097174	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"86286"	623.410524	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"530955"	935.619424	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"908757"	311.201624	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"59853"	640.437071	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"496491"	952.645971	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"876482"	328.228171	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"41103"	645.392466	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"485037"	957.601366	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"856278"	333.183566	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1626905"	333.183566	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"103434"	329.189963	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"544089"	485.294413	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"941494"	173.085513	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"280534"	659.387202	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"668583"	971.596102	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1280986"	347.178302	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"27918"	661.366406	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"465294"	973.575306	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"839815"	349.157506	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1566585"	349.157506	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"956658"	357.207094	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"375238"	669.416001	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"360577"	683.431651	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1506492"	371.222751	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"967472"	379.189051	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"118567"	347.178302	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"558128"	503.282752	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1032397"	191.073852	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1250883"	391.127785	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1316614"	393.183772	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1331923"	415.165729	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"919704"	425.194486	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1296412"	461.171164	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1372386"	277.196224	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1390976"	295.2062	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"292848"	625.425076	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"680898"	937.633976	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1361622"	313.216176	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"135607"	313.216176	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"572980"	469.320626	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1047248"	157.111726	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"214056"	209.146542666667	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"655805"	313.216176	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1173931"	105.076909333333	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"428455"	642.451623	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"787265"	954.660523	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1690156"	330.242723	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"335151"	321.7294495	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"733039"	477.8338995	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1487954"	165.6249995	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"396059"	647.407018	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"754748"	959.615918	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1610264"	335.198118	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"320301"	324.207147	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"719654"	480.311597	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1467642"	168.102697	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1064165"	112.404223333333	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1266938"	345.242386	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"388797"	663.380958	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"748700"	975.589858	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1548569"	351.172058	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"306840"	332.194117	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"700355"	488.298567	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1458552"	176.089667	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"248612"	666.451626	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1222048"	354.242726	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1204836"	177.625001	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"200258"	669.38896	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"640550"	981.59786	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1144306"	357.18006	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"186257"	335.198118	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"625087"	491.302568	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1127862"	179.093668	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1411877"	119.731537333333	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1443508"	359.221646	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"231380"	340.23114	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1517256"	373.27369	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"416944"	343.185088	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"775752"	499.289538	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1673177"	187.080638	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"258600"	688.433568	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1230216"	376.224668	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1720195"	376.248193	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1184454"	127.058851333333	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1652161"	381.203588	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"161209"	701.33684	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"599309"	1013.54574	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1088558"	389.12794	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"147564"	351.172058	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"586030"	507.276508	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1072363"	195.067608	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1103023"	391.142492	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1337585"	391.230107	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1010859"	395.269276	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1528983"	396.262908	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"992150"	198.138276	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1592123"	397.177528	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1417788"	427.209038	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1154636"	218.651551	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1705282"	444.235585	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1637653"	449.19098	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1577678"	465.16492	"C03207"	"16-Dehydroprogesterone;1617-Didehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"808044"	186.0681	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M"	0
"979389"	167.04971	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"67633"	123.038124	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"505006"	185.060824	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"886088"	61.015424	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"3569"	185.060824	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"442038"	278.094874	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"819841"	92.026774	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"86397"	371.128924	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"531425"	557.197024	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"908988"	185.060824	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"59958"	388.155471	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"493321"	574.223571	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"875499"	202.087371	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"44492"	393.110866	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"481869"	579.178966	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"859668"	207.042766	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1630296"	207.042766	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"107919"	203.049163	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"548943"	296.083213	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"940636"	110.015113	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"279557"	407.105602	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"673068"	593.173702	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1283283"	221.037502	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"26574"	409.084806	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"464313"	595.152906	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"843208"	223.016706	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1566696"	223.016706	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"954946"	231.066294	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"374622"	417.134401	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"357775"	431.150051	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1505875"	245.081951	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"971957"	253.048251	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"117585"	221.037502	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"557145"	314.071552	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1032507"	128.003452	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1253180"	264.986985	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1316724"	267.042972	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1332033"	289.024929	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"922000"	299.053686	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1296522"	335.030364	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1379060"	151.055424	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1391088"	169.0654	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"290045"	373.143476	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"682103"	559.211576	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1362826"	187.075376	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"136810"	187.075376	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"574184"	280.109426	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1046264"	94.041326	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"216355"	125.052676	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"655552"	187.075376	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1172948"	63.029976	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"426378"	390.170023	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"789560"	576.238123	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1689172"	204.101923	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"336355"	195.5886495	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"732060"	288.6226995	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1489156"	102.5545995	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"397994"	395.125418	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"754489"	581.193518	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1609281"	209.057318	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"323693"	198.066347	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"719399"	291.100397	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1468845"	105.032297	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1063182"	70.35729	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1267048"	219.101586	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"384536"	411.099358	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"745530"	597.167458	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1549773"	225.031258	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"308043"	206.053317	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"702652"	299.087367	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1455379"	113.019267	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"245804"	414.170026	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1219970"	228.101926	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1204946"	114.554601	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"197816"	417.10736	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"641388"	603.17546	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1140886"	231.03926	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"181990"	209.057318	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"622643"	302.091368	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1127246"	116.023268	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1410407"	77.684604	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1441429"	233.080846	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"228211"	214.09034	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1515179"	247.13289	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"414865"	217.044288	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"772580"	310.078338	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1667817"	124.010238	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"255430"	436.151968	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1227046"	250.083868	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1714108"	250.107393	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1179095"	85.011918	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1649879"	255.062788	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"158037"	449.05524	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"597272"	635.12334	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1086844"	262.98714	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"143297"	225.031258	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"585046"	318.065308	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1071743"	131.997208	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1102767"	265.001692	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1337331"	265.089307	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1008052"	269.128476	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1526176"	270.122108	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"992260"	135.067876	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1591139"	271.036728	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1414738"	301.068238	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1150372"	155.581151	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1705392"	318.094785	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1636668"	323.05018	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1577788"	339.02412	"C03209"	"22-Dihydroxybiphenyl"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"804874"	161.0688	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M"	0
"975487"	142.05041	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"68836"	106.371924	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"506209"	160.061524	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"886198"	52.682324	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"2586"	160.061524	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"443241"	240.595924	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"819951"	79.527124	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"81038"	321.130324	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"530442"	482.199124	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"906056"	160.061524	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"57152"	338.156871	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"495617"	499.225671	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"872327"	177.088071	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"39134"	343.112266	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"483071"	504.181066	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"855404"	182.043466	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1624937"	182.043466	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"109122"	178.049863	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"548322"	258.584263	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"939652"	97.515463	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"278939"	357.107002	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"670991"	518.175802	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1280114"	196.038202	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"25952"	359.086206	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"466606"	520.155006	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"843316"	198.017406	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1562430"	198.017406	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"953595"	206.066994	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"373634"	367.135801	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"358248"	381.151451	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1505618"	220.082651	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"968787"	228.048951	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"122067"	196.038202	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"558346"	276.572602	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1028969"	115.503802	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1253290"	239.987685	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1315378"	242.043672	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1329959"	264.025629	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"922111"	274.054386	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1296996"	310.031064	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1376983"	126.056124	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1392293"	144.0661	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"288696"	323.144876	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"685494"	484.213676	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1358563"	162.076076	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"135826"	162.076076	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"572107"	242.610476	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1047470"	81.541676	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"216101"	108.386476	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"656026"	162.076076	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1167591"	54.696876	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"426488"	340.171423	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"794046"	501.240223	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1690375"	179.102623	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"338654"	170.5893495	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"732169"	251.1237495	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1485987"	90.0549495	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"394218"	345.126818	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"754440"	506.195618	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1617052"	184.058018	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"327819"	173.067047	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"720239"	253.601447	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1472236"	92.532647	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1056730"	62.02419	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1260596"	194.102286	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"383553"	361.100758	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"746735"	522.169558	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1549884"	200.031958	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"305967"	181.054017	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"701668"	261.588417	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1456582"	100.519617	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"247371"	364.171426	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1221173"	203.102626	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1202869"	102.054951	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"200115"	367.10876	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"643685"	528.17756	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1142090"	206.03996	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"182100"	184.058018	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"621660"	264.592418	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1126262"	103.523618	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1409786"	69.351504	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1442633"	208.081546	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"229414"	189.09104	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1515289"	222.13359	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"414975"	192.044988	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"779250"	272.579388	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1670116"	111.510588	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"255541"	386.153368	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1228251"	225.084568	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1719322"	225.108093	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1182489"	76.678818	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1651652"	230.063488	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"159240"	399.05664	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"599404"	560.12544	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1086589"	237.98784	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"143046"	200.031958	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"585521"	280.566358	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1071853"	119.497558	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1102515"	240.002392	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1337682"	240.090007	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1008162"	244.129176	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1527014"	245.122808	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"992126"	122.568226	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1590155"	246.037428	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1416913"	276.068938	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1150481"	143.081501	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1700032"	293.095485	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1635684"	298.05088	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1577898"	314.02482	"C03210"	"Alanopine;22-Iminodipropanoate;meso-N-(1-Carboxyethyl)-alanine"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"804984"	164.0334	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M"	0
"974448"	145.01501	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-H2O-H"	-19.01839
"68946"	108.348324	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M-3H"	-3.021828
"508506"	163.026124	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M-3H"	-3.021828
"885215"	53.670524	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-3H"	-3.021828
"3790"	163.026124	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M-2H"	-2.014552
"440348"	245.042824	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M-2H"	-2.014552
"817298"	81.009424	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-2H"	-2.014552
"81148"	327.059524	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M-H"	-1.007276
"528365"	491.092924	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M-H"	-1.007276
"897052"	163.026124	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-H"	-1.007276
"53981"	344.086071	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M-2H+NH4"	16.019271
"491353"	508.119471	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M-2H+NH4"	16.019271
"869157"	180.052671	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-2H+NH4"	16.019271
"43618"	349.041466	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M-2H+Na"	20.974666
"483180"	513.074866	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M-2H+Na"	20.974666
"859889"	185.008066	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-2H+Na"	20.974666
"1627235"	185.008066	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Na-2H"	20.974666
"109233"	181.014463	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M-H+Cl"	33.962126
"544418"	263.031163	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M-H+Cl"	33.962126
"937939"	98.997763	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-H+Cl"	33.962126
"278318"	363.036202	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+Cl"	34.969402
"671101"	527.069602	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+Cl"	34.969402
"1285691"	199.002802	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Cl"	34.969402
"26064"	365.015406	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M-2H+K"	36.948606
"463437"	529.048806	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M-2H+K"	36.948606
"840145"	200.982006	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-2H+K"	36.948606
"1563633"	200.982006	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+K-2H"	36.948606
"951519"	209.031594	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-H+HCOOH"	44.998194
"374837"	373.065001	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+HCOOH-H"	44.998201
"356898"	387.080651	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+Hac-H"	59.013851
"1502448"	223.047251	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Hac-H"	59.013851
"967803"	231.013551	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-H+NaCOOH"	66.980151
"118897"	199.002802	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+2Cl"	69.938804
"558458"	281.019502	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+2Cl"	69.938804
"1031633"	116.986102	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2Cl"	69.938804
"1251213"	242.952285	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Br"	78.918885
"1315851"	245.008272	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Cl+HCOOH"	80.974872
"1326060"	266.990229	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Cl+NaCOOH"	102.956829
"922223"	277.018986	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M-H+CF3COOH"	112.985586
"1300025"	312.995664	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Cl+CF3COOH"	148.962264
"1377090"	129.020724	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H-2H2O"	-35.012676
"1392402"	147.0307	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H-H2O"	-17.0027
"288808"	329.074076	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+H"	1.007276
"681231"	493.107476	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+H"	1.007276
"1359768"	165.040676	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H"	1.007276
"137031"	165.040676	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+2H"	2.014552
"573311"	247.057376	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+2H"	2.014552
"1047579"	83.023976	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2H"	2.014552
"216574"	110.362876	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+3H"	3.021828
"655041"	165.040676	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+3H"	3.021828
"1168793"	55.685076	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+3H"	3.021828
"426599"	346.100623	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+NH4"	18.033823
"789782"	510.134023	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+NH4"	18.033823
"1687205"	182.067223	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+NH4"	18.033823
"337668"	173.5539495	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+H+NH4"	19.041099
"732281"	255.5706495	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+H+NH4"	19.041099
"1486097"	91.5372495	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H+NH4"	19.041099
"396030"	351.056018	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+Na"	22.989218
"754957"	515.089418	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+Na"	22.989218
"1612789"	187.022618	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Na"	22.989218
"319545"	176.031647	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+H+Na"	23.996494
"711964"	258.048347	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+H+Na"	23.996494
"1469064"	94.014947	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H+Na"	23.996494
"1056112"	63.01239	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2H+Na"	25.00377
"1261434"	197.066886	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+CH3OH+H"	33.033486
"384756"	367.029958	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+K"	38.963158
"746845"	531.063358	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+K"	38.963158
"1546711"	202.996558	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+K"	38.963158
"302792"	184.018617	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+H+K"	39.970434
"694118"	266.035317	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+H+K"	39.970434
"1453411"	102.001917	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H+K"	39.970434
"239093"	370.100626	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+ACN+H"	42.033826
"1222012"	206.067226	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+ACN+H"	42.033826
"1202979"	103.537251	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+ACN+2H"	43.041102
"203915"	373.03796	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+2Na-H"	44.97116
"642337"	537.07136	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+2Na-H"	44.97116
"1141836"	209.00456	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2Na-H"	44.97116
"185492"	187.022618	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+2Na"	45.978436
"621771"	269.039318	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+2Na"	45.978436
"1126371"	105.005918	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2Na"	45.978436
"1413175"	70.339704	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H+2Na"	46.985712
"1443107"	211.046146	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H+HCOOH"	47.012746
"230616"	192.05564	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+3H2O+2H"	56.04448
"1517586"	225.09819	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+IsoProp+H"	61.06479
"417274"	195.009588	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+Na+K"	61.952376
"781549"	277.026288	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+Na+K"	61.952376
"1673507"	112.992888	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Na+K"	61.952376
"255652"	392.082568	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+ACN+Na"	64.015768
"1226538"	228.049168	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+ACN+Na"	64.015768
"1717246"	228.072693	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+NH4+HCOOH"	64.039293
"1185879"	77.667018	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+3Na"	68.967654
"1653585"	233.028088	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Na+HCOOH"	68.994688
"158135"	404.98584	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+2K-H"	76.91904
"598059"	569.01924	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+2K-H"	76.91904
"1085849"	240.95244	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2K-H"	76.91904
"143886"	202.996558	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"2M+2K"	77.926316
"586362"	285.013258	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"3M+2K"	77.926316
"1075244"	120.979858	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2K"	77.926316
"1102623"	242.966992	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2K+H"	78.933592
"1337549"	243.054607	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+DMSO+H"	79.021207
"1007904"	247.093776	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2ACN+H"	83.060376
"1528221"	248.087408	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+IsoProp+Na+H"	84.054008
"996857"	124.050526	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+2ACN+2H"	84.067652
"1590267"	249.002028	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+K+HCOOH"	84.968628
"1414586"	279.033538	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+H+CF3COOH"	115.000138
"1147671"	144.563801	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+3ACN+2H"	125.094202
"1702331"	296.060085	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+NH4+CF3COOH"	132.026685
"1635427"	301.01548	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+Na+CF3COOH"	136.98208
"1573630"	316.98942	"C03212"	"24-Dihydroxypteridine;Lumazine;Pteridine-24-dione;24(3H8H)-Pteridinedione"	"C6H4N4O2"	"164.0334"	"M+K+CF3COOH"	152.95602
"805094"	117.0426	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M"	0
"974369"	98.02421	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-H2O-H"	-19.01839
"71243"	77.021124	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M-3H"	-3.021828
"508616"	116.035324	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M-3H"	-3.021828
"885325"	38.006924	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-3H"	-3.021828
"7180"	116.035324	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M-2H"	-2.014552
"441635"	174.556624	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M-2H"	-2.014552
"817856"	57.514024	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-2H"	-2.014552
"81258"	233.077924	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M-H"	-1.007276
"520819"	350.120524	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M-H"	-1.007276
"897892"	116.035324	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-H"	-1.007276
"52268"	250.104471	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M-2H+NH4"	16.019271
"490371"	367.147071	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M-2H+NH4"	16.019271
"867443"	133.061871	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-2H+NH4"	16.019271
"41542"	255.059866	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M-2H+Na"	20.974666
"481104"	372.102466	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M-2H+Na"	20.974666
"857813"	138.017266	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-2H+Na"	20.974666
"1627345"	138.017266	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Na-2H"	20.974666
"107157"	134.023663	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M-H+Cl"	33.962126
"546715"	192.544963	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M-H+Cl"	33.962126
"934769"	75.502363	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-H+Cl"	33.962126
"276605"	269.054602	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+Cl"	34.969402
"670117"	386.097202	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+Cl"	34.969402
"1281428"	152.012002	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Cl"	34.969402
"26906"	271.033806	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M-2H+K"	36.948606
"465736"	388.076406	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M-2H+K"	36.948606
"841350"	153.991206	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-2H+K"	36.948606
"1564838"	153.991206	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+K-2H"	36.948606
"950535"	162.040794	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-H+HCOOH"	44.998194
"374218"	279.083401	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+HCOOH-H"	44.998201
"354820"	293.099051	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+Hac-H"	59.013851
"1504747"	176.056451	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Hac-H"	59.013851
"970101"	184.022751	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-H+NaCOOH"	66.980151
"121194"	152.012002	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+2Cl"	69.938804
"559662"	210.533302	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+2Cl"	69.938804
"1031743"	93.490702	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2Cl"	69.938804
"1252417"	195.961485	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Br"	78.918885
"1314869"	198.017472	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Cl+HCOOH"	80.974872
"1326898"	219.999429	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Cl+NaCOOH"	102.956829
"917228"	230.028186	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M-H+CF3COOH"	112.985586
"1296852"	266.004864	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Cl+CF3COOH"	148.962264
"1376108"	82.029924	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H-2H2O"	-35.012676
"1393604"	100.0399	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H-H2O"	-17.0027
"293293"	235.092476	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+H"	1.007276
"683528"	352.135076	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+H"	1.007276
"1362066"	118.049876	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H"	1.007276
"137141"	118.049876	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+2H"	2.014552
"575608"	176.571176	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+2H"	2.014552
"1049512"	59.528576	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2H"	2.014552
"218143"	79.035676	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+3H"	3.021828
"657338"	118.049876	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+3H"	3.021828
"1167810"	40.021476	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+3H"	3.021828
"433269"	252.119023	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+NH4"	18.033823
"798640"	369.161623	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+NH4"	18.033823
"1691690"	135.076423	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+NH4"	18.033823
"339968"	126.5631495	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+H+NH4"	19.041099
"732390"	185.0844495	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+H+NH4"	19.041099
"1487302"	68.0418495	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H+NH4"	19.041099
"399421"	257.074418	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+Na"	22.989218
"759324"	374.117018	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+Na"	22.989218
"1612899"	140.031818	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Na"	22.989218
"320748"	129.040847	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+H+Na"	23.996494
"711346"	187.562147	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+H+Na"	23.996494
"1468081"	70.519547	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H+Na"	23.996494
"1055126"	47.34879	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2H+Na"	25.00377
"1258992"	150.076086	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+CH3OH+H"	33.033486
"382308"	273.048358	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+K"	38.963158
"745856"	390.090958	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+K"	38.963158
"1550100"	156.005758	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+K"	38.963158
"302902"	137.027817	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+H+K"	39.970434
"695686"	195.549117	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+H+K"	39.970434
"1453521"	78.506517	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H+K"	39.970434
"237016"	276.119026	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+ACN+H"	42.033826
"1219206"	159.076426	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+ACN+H"	42.033826
"1199809"	80.041851	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+ACN+2H"	43.041102
"198513"	279.05636	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+2Na-H"	44.97116
"639167"	396.09896	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+2Na-H"	44.97116
"1143039"	162.01376	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2Na-H"	44.97116
"182322"	140.031818	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+2Na"	45.978436
"621151"	198.553118	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+2Na"	45.978436
"1126480"	81.510518	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2Na"	45.978436
"1411099"	54.676104	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H+2Na"	46.985712
"1443215"	164.055346	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H+HCOOH"	47.012746
"231820"	145.06484	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+3H2O+2H"	56.04448
"1516604"	178.10739	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+IsoProp+H"	61.06479
"418114"	148.018788	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+Na+K"	61.952376
"781295"	206.540088	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+Na+K"	61.952376
"1674709"	89.497488	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Na+K"	61.952376
"259042"	298.100968	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+ACN+Na"	64.015768
"1228470"	181.058368	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+ACN+Na"	64.015768
"1717357"	181.081893	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+NH4+HCOOH"	64.039293
"1184896"	62.003418	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+3Na"	68.967654
"1655882"	186.037288	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Na+HCOOH"	68.994688
"157759"	311.00424	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+2K-H"	76.91904
"597564"	428.04684	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+2K-H"	76.91904
"1084992"	193.96164	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2K-H"	76.91904
"144726"	156.005758	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"2M+2K"	77.926316
"585379"	214.527058	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"3M+2K"	77.926316
"1074260"	97.484458	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2K"	77.926316
"1101518"	195.976192	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2K+H"	78.933592
"1337659"	196.063807	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+DMSO+H"	79.021207
"1006557"	200.102976	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2ACN+H"	83.060376
"1527602"	201.096608	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+IsoProp+Na+H"	84.054008
"992955"	100.555126	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+2ACN+2H"	84.067652
"1590377"	202.011228	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+K+HCOOH"	84.968628
"1414573"	232.042738	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+H+CF3COOH"	115.000138
"1148511"	121.068401	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+3ACN+2H"	125.094202
"1697823"	249.069285	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+NH4+CF3COOH"	132.026685
"1635537"	254.02468	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+Na+CF3COOH"	136.98208
"1573740"	269.99862	"C03214"	"2-Amino-3-oxobutanoate;2-Amino-acetoacetate"	"C4H7NO3"	"117.0426"	"M+K+CF3COOH"	152.95602
"805204"	196.0583	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M"	0
"974643"	177.03991	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"75728"	129.698257333333	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"512007"	195.051024	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"888715"	64.3454906666667	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"14703"	195.051024	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"441382"	293.080174	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"819185"	97.021874	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"80275"	391.109324	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"519224"	587.167624	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"896539"	195.051024	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"50920"	408.135871	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"490481"	604.194171	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"866096"	212.077571	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"39465"	413.091266	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"477934"	609.149566	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"856830"	217.032966	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1624175"	217.032966	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"105811"	213.039363	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"545371"	311.068513	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"937798"	115.010213	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"274895"	427.086002	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"669135"	623.144302	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1280812"	231.027702	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"27746"	429.065206	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"466942"	625.123506	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"842188"	233.006906	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1563855"	233.006906	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"950644"	241.056494	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"370688"	437.114801	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"356027"	451.130451	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1502676"	255.072151	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"969119"	263.038451	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"121305"	231.027702	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"559772"	329.056852	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1031854"	132.998552	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1252526"	274.977185	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1311698"	277.033172	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1330289"	299.015129	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"919161"	309.043886	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1296962"	345.020564	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1376218"	161.045624	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1392620"	179.0556	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"294497"	393.123876	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"685826"	589.182176	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1365456"	197.065576	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"139440"	197.065576	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"578998"	295.094726	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1049989"	99.036426	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"218256"	131.712809333333	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"655264"	197.065576	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1171201"	66.3600426666667	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"433380"	410.150423	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"793282"	606.208723	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1693987"	214.092123	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"335703"	205.5788495	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"730313"	303.6079995	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1486317"	107.5496995	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"398437"	415.105818	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"756153"	611.164118	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1610822"	219.047518	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"317578"	208.056547	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"709999"	306.085697	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1464913"	110.027397	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1055965"	73.6873566666667	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1258373"	229.091786	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"381696"	431.079758	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"741594"	627.138058	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1543652"	235.021458	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"299732"	216.043517	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"692026"	314.072667	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1450351"	118.014367	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"237856"	434.150426	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1213120"	238.092126	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1198826"	119.549701	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"198623"	437.08776	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"639641"	633.14606	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1138047"	241.02946	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"184619"	219.047518	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"617252"	317.076668	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1124405"	121.018368	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1409023"	81.0146706666667	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1440045"	243.071046	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"231931"	224.08054	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1519267"	257.12309	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"420410"	227.034488	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"781769"	325.063638	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1673729"	129.005338	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"260246"	456.132368	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1230769"	260.074068	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1718560"	260.097593	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1185007"	88.3419846666667	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1653805"	265.052988	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"157508"	469.03564	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"599256"	665.09394	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1085226"	272.97734	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"143743"	235.021458	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"584395"	333.050608	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1072186"	136.992308	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1103209"	274.991892	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1338134"	275.079507	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1007034"	279.118676	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1530628"	280.112308	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"991972"	140.062976	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1589394"	281.026928	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1415049"	311.058438	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1148985"	160.576251	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1702552"	328.084985	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1638201"	333.04038	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1572756"	349.01432	"C03215"	"2-Carboxy-D-arabinitol"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"814791"	176.0321	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M"	0
"982127"	157.01371	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"77296"	116.347457333333	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"517586"	175.024824	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"895023"	57.6700906666667	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"13599"	175.024824	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"444774"	263.040874	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"820389"	87.008774	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"86947"	351.056924	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"522133"	527.089024	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"897382"	175.024824	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"53216"	368.083471	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"492777"	544.115571	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"868394"	192.051371	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"43950"	373.038866	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"479137"	549.070966	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"859126"	197.006766	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1627567"	197.006766	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"104829"	193.013163	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"542568"	281.029213	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"934992"	104.997113	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"274276"	387.033602	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"668884"	563.065702	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1280193"	211.001502	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"27490"	389.012806	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"467780"	565.044906	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"842664"	212.980706	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1568344"	212.980706	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"955862"	221.030294	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"372256"	397.062401	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"356141"	411.078051	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1503880"	235.045951	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"969961"	243.012251	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"121418"	211.001502	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"558789"	299.017552	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1031966"	122.985452	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1251179"	254.950985	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1312902"	257.006972	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1330399"	278.988929	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"923646"	289.017686	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1301450"	324.994364	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1381920"	141.019424	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1397352"	159.0294	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"298256"	353.071476	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"690069"	529.103576	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1366664"	177.039376	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"141255"	177.039376	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"581138"	265.055426	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1052165"	89.023326	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"219901"	118.362009333333	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"659262"	177.039376	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1176416"	59.6846426666667	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"439572"	370.098023	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"796673"	546.130123	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1695555"	194.065923	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"343470"	185.5526495	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"737960"	273.5686995	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1488617"	97.5365995	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"401829"	375.053418	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"758452"	551.085518	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1612025"	199.021318	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"323156"	188.030347	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"714483"	276.046397	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1466117"	100.014297	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1061544"	67.0119566666667	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1259945"	209.065586	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"381807"	391.027358	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"747176"	567.059458	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1550324"	214.995258	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"303124"	196.017317	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"693358"	284.033367	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1451554"	108.001267	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"241250"	394.098026	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1217240"	218.065926	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1199664"	109.536601	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"198370"	397.03536	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"636834"	573.06746	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1137064"	221.00326	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"184730"	199.021318	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"619915"	287.037368	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1128890"	111.005268	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1412659"	74.3392706666667	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1441249"	223.044846	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"233863"	204.05434	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1520105"	237.09689	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"418702"	207.008288	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"778603"	295.024338	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1676026"	118.992238	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"263639"	416.079968	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1229787"	240.047868	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1723046"	240.071393	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1188398"	81.6665846666667	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1657196"	245.026788	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"166245"	428.98324	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"601432"	605.01534	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1088132"	252.95114	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"150414"	214.995258	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"591068"	303.011308	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1077767"	126.979208	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1106602"	254.965692	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1339708"	255.053307	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1007144"	259.092476	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1527458"	260.086108	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"991718"	130.049876	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1589505"	261.000728	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1415283"	291.032238	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1149824"	150.563151	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1699381"	308.058785	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1637218"	313.01418	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1575054"	328.98812	"C03217"	"2-Hydroxy-3-oxoadipate"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"803237"	296.1233	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M"	0
"974274"	277.10491	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-H2O-H"	-19.01839
"71573"	196.408257333333	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M-3H"	-3.021828
"510040"	295.116024	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M-3H"	-3.021828
"888935"	97.7004906666667	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-3H"	-3.021828
"8604"	295.116024	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M-2H"	-2.014552
"441601"	443.177674	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M-2H"	-2.014552
"818676"	147.054374	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-2H"	-2.014552
"81590"	591.239324	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M-H"	-1.007276
"520055"	887.362624	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M-H"	-1.007276
"896883"	295.116024	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-H"	-1.007276
"50046"	608.265871	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M-2H+NH4"	16.019271
"489607"	904.389171	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M-2H+NH4"	16.019271
"865343"	312.142571	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-2H+NH4"	16.019271
"41872"	613.221266	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M-2H+Na"	20.974666
"479247"	909.344566	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M-2H+Na"	20.974666
"857050"	317.097966	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-2H+Na"	20.974666
"1626584"	317.097966	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Na-2H"	20.974666
"108218"	313.104363	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M-H+Cl"	33.962126
"548506"	461.166013	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M-H+Cl"	33.962126
"939471"	165.042713	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-H+Cl"	33.962126
"280217"	627.216002	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+Cl"	34.969402
"668262"	923.339302	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+Cl"	34.969402
"1282854"	331.092702	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Cl"	34.969402
"30516"	629.195206	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M-2H+K"	36.948606
"470684"	925.318506	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M-2H+K"	36.948606
"843866"	333.071906	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-2H+K"	36.948606
"1570274"	333.071906	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+K-2H"	36.948606
"956337"	341.121494	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-H+HCOOH"	44.998194
"373824"	637.244801	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+HCOOH-H"	44.998201
"357344"	651.260451	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+Hac-H"	59.013851
"1503261"	355.137151	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Hac-H"	59.013851
"970071"	363.103451	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-H+NaCOOH"	66.980151
"120798"	331.092702	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+2Cl"	69.938804
"558899"	479.154352	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+2Cl"	69.938804
"1033899"	183.031052	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2Cl"	69.938804
"1252382"	375.042185	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Br"	78.918885
"1314104"	377.098172	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Cl+HCOOH"	80.974872
"1327228"	399.080129	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Cl+NaCOOH"	102.956829
"916101"	409.108886	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M-H+CF3COOH"	112.985586
"1298277"	445.085564	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Cl+CF3COOH"	148.962264
"1373158"	261.110624	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H-2H2O"	-35.012676
"1390654"	279.1206	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H-H2O"	-17.0027
"298122"	593.253876	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+H"	1.007276
"690785"	889.377176	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+H"	1.007276
"1366904"	297.130576	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H"	1.007276
"141412"	297.130576	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+2H"	2.014552
"581191"	445.192226	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+2H"	2.014552
"1052637"	149.068926	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2H"	2.014552
"219925"	198.422809333333	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+3H"	3.021828
"659128"	297.130576	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+3H"	3.021828
"1177622"	99.7150426666667	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+3H"	3.021828
"437610"	610.280423	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+NH4"	18.033823
"795689"	906.403723	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+NH4"	18.033823
"1694574"	314.157123	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+NH4"	18.033823
"344310"	305.6438495	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+H+NH4"	19.041099
"738191"	453.7054995	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+H+NH4"	19.041099
"1488363"	157.5821995	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H+NH4"	19.041099
"404126"	615.235818	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+Na"	22.989218
"760748"	911.359118	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+Na"	22.989218
"1617965"	319.112518	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Na"	22.989218
"328733"	308.121547	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+H+Na"	23.996494
"720790"	456.183197	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+H+Na"	23.996494
"1470600"	160.059897	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H+Na"	23.996494
"1061654"	107.042356666667	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2H+Na"	25.00377
"1259325"	329.156786	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+CH3OH+H"	33.033486
"384102"	631.209758	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+K"	38.963158
"741814"	927.333058	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+K"	38.963158
"1547151"	335.086458	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+K"	38.963158
"304327"	316.108517	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+H+K"	39.970434
"692859"	464.170167	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+H+K"	39.970434
"1453851"	168.046867	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H+K"	39.970434
"242453"	634.280426	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+ACN+H"	42.033826
"1217350"	338.157126	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+ACN+H"	42.033826
"1202326"	169.582201	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+ACN+2H"	43.041102
"198480"	637.21776	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+2Na-H"	44.97116
"635485"	933.34106	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+2Na-H"	44.97116
"1140454"	341.09446	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2Na-H"	44.97116
"183745"	319.112518	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+2Na"	45.978436
"622211"	467.174168	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+2Na"	45.978436
"1123532"	171.050868	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2Na"	45.978436
"1408149"	114.369670666667	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H+2Na"	46.985712
"1441359"	343.136046	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H+HCOOH"	47.012746
"233244"	324.14554	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+3H2O+2H"	56.04448
"1520215"	357.18809	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+IsoProp+H"	61.06479
"419542"	327.099488	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+Na+K"	61.952376
"779807"	475.161138	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+Na+K"	61.952376
"1675042"	179.037838	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Na+K"	61.952376
"262655"	656.262368	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+ACN+Na"	64.015768
"1233177"	360.139068	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+ACN+Na"	64.015768
"1725343"	360.162593	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+NH4+HCOOH"	64.039293
"1190695"	121.696984666667	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+3Na"	68.967654
"1656212"	365.117988	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Na+HCOOH"	68.994688
"166355"	669.16564	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+2K-H"	76.91904
"599355"	965.28894	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+2K-H"	76.91904
"1088242"	373.04234	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2K-H"	76.91904
"147244"	335.086458	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"2M+2K"	77.926316
"588990"	483.148108	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"3M+2K"	77.926316
"1077877"	187.024808	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2K"	77.926316
"1102336"	375.056892	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2K+H"	78.933592
"1337631"	375.144507	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+DMSO+H"	79.021207
"1008706"	379.183676	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2ACN+H"	83.060376
"1525381"	380.177308	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+IsoProp+Na+H"	84.054008
"990854"	190.095476	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+2ACN+2H"	84.067652
"1589614"	381.091928	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+K+HCOOH"	84.968628
"1414421"	411.123438	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+H+CF3COOH"	115.000138
"1149934"	210.608751	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+3ACN+2H"	125.094202
"1699855"	428.149985	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+NH4+CF3COOH"	132.026685
"1638421"	433.10538	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+Na+CF3COOH"	136.98208
"1575164"	449.07932	"C03218"	"2-Methylaminoadenosine"	"C11H16N6O4"	"296.1233"	"M+K+CF3COOH"	152.95602
"805534"	87.0684	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M"	0
"974402"	68.05001	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-H2O-H"	-19.01839
"71683"	57.038324	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M-3H"	-3.021828
"509057"	86.061124	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M-3H"	-3.021828
"889045"	28.015524	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-3H"	-3.021828
"7621"	86.061124	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M-2H"	-2.014552
"440495"	129.595324	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M-2H"	-2.014552
"818422"	42.526924	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-2H"	-2.014552
"78614"	173.129524	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M-H"	-1.007276
"520165"	260.197924	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M-H"	-1.007276
"896501"	86.061124	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-H"	-1.007276
"49417"	190.156071	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M-2H+NH4"	16.019271
"487187"	277.224471	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M-2H+NH4"	16.019271
"864966"	103.087671	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-2H+NH4"	16.019271
"35422"	195.111466	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M-2H+Na"	20.974666
"471412"	282.179866	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M-2H+Na"	20.974666
"848510"	108.043066	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-2H+Na"	20.974666
"1626692"	108.043066	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Na-2H"	20.974666
"106503"	104.049463	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M-H+Cl"	33.962126
"548616"	147.583663	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M-H+Cl"	33.962126
"940672"	60.515263	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-H+Cl"	33.962126
"275952"	209.106202	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+Cl"	34.969402
"669464"	296.174602	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+Cl"	34.969402
"1280777"	122.037802	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Cl"	34.969402
"30624"	211.085406	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M-2H+K"	36.948606
"470189"	298.153806	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M-2H+K"	36.948606
"843976"	124.017006	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-2H+K"	36.948606
"1570749"	124.017006	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+K-2H"	36.948606
"955717"	132.066594	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-H+HCOOH"	44.998194
"372840"	219.135001	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+HCOOH-H"	44.998201
"356725"	233.150651	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+Hac-H"	59.013851
"1499727"	146.082251	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Hac-H"	59.013851
"969816"	154.048551	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-H+NaCOOH"	66.980151
"119449"	122.037802	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+2Cl"	69.938804
"557915"	165.572002	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+2Cl"	69.938804
"1032187"	78.503602	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2Cl"	69.938804
"1252492"	165.987285	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Br"	78.918885
"1308017"	168.043272	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Cl+HCOOH"	80.974872
"1330617"	190.025229	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Cl+NaCOOH"	102.956829
"915118"	200.053986	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M-H+CF3COOH"	112.985586
"1295107"	236.030664	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Cl+CF3COOH"	148.962264
"1369987"	52.055724	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H-2H2O"	-35.012676
"1390400"	70.0657	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H-H2O"	-17.0027
"297623"	175.144076	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+H"	1.007276
"688343"	262.212476	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+H"	1.007276
"1366276"	88.075676	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H"	1.007276
"139404"	88.075676	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+2H"	2.014552
"581369"	131.609876	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+2H"	2.014552
"1052391"	44.541476	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2H"	2.014552
"219963"	59.052876	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+3H"	3.021828
"658876"	88.075676	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+3H"	3.021828
"1177732"	30.030076	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+3H"	3.021828
"439060"	192.170623	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+NH4"	18.033823
"801153"	279.239023	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+NH4"	18.033823
"1695415"	105.102223	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+NH4"	18.033823
"345360"	96.5889495	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+H+NH4"	19.041099
"738428"	140.1231495	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+H+NH4"	19.041099
"1486651"	53.0547495	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H+NH4"	19.041099
"403143"	197.126018	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+Na"	22.989218
"759765"	284.194418	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+Na"	22.989218
"1617346"	110.057618	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Na"	22.989218
"324469"	99.066647	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+H+Na"	23.996494
"717984"	142.600847	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+H+Na"	23.996494
"1471804"	55.532447	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H+Na"	23.996494
"1061767"	37.35739	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2H+Na"	25.00377
"1258705"	120.101886	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+CH3OH+H"	33.033486
"380925"	213.099958	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+K"	38.963158
"741195"	300.168358	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+K"	38.963158
"1545073"	126.031558	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+K"	38.963158
"298967"	107.053617	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+H+K"	39.970434
"693572"	150.587817	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+H+K"	39.970434
"1449585"	63.519417	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H+K"	39.970434
"240374"	216.170626	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+ACN+H"	42.033826
"1214177"	129.102226	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+ACN+H"	42.033826
"1197330"	65.054751	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+ACN+2H"	43.041102
"196403"	219.10796	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+2Na-H"	44.97116
"637054"	306.17636	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+2Na-H"	44.97116
"1139833"	132.03956	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2Na-H"	44.97116
"182763"	110.057618	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+2Na"	45.978436
"620136"	153.591818	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+2Na"	45.978436
"1123642"	66.523418	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2Na"	45.978436
"1408259"	44.684704	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H+2Na"	46.985712
"1438189"	134.081146	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H+HCOOH"	47.012746
"230074"	115.09064	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+3H2O+2H"	56.04448
"1522511"	148.13319	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+IsoProp+H"	61.06479
"421107"	118.044588	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+Na+K"	61.952376
"782103"	161.578788	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+Na+K"	61.952376
"1671873"	74.510388	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Na+K"	61.952376
"259484"	238.152568	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+ACN+Na"	64.015768
"1230735"	151.084168	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+ACN+Na"	64.015768
"1719986"	151.107693	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+NH4+HCOOH"	64.039293
"1186431"	52.012018	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+3Na"	68.967654
"1655228"	156.063088	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Na+HCOOH"	68.994688
"163185"	251.05584	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+2K-H"	76.91904
"599465"	338.12424	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+2K-H"	76.91904
"1088352"	163.98744	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2K-H"	76.91904
"144438"	126.031558	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"2M+2K"	77.926316
"588007"	169.565758	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"3M+2K"	77.926316
"1077987"	82.497358	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2K"	77.926316
"1102446"	166.001992	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2K+H"	78.933592
"1337741"	166.089607	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+DMSO+H"	79.021207
"1006270"	170.128776	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2ACN+H"	83.060376
"1525491"	171.122408	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+IsoProp+Na+H"	84.054008
"990844"	85.568026	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+2ACN+2H"	84.067652
"1589724"	172.037028	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+K+HCOOH"	84.968628
"1415382"	202.068538	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+H+CF3COOH"	115.000138
"1150045"	106.081301	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+3ACN+2H"	125.094202
"1699965"	219.095085	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+NH4+CF3COOH"	132.026685
"1637438"	224.05048	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+Na+CF3COOH"	136.98208
"1575274"	240.02442	"C03219"	"(E)-2-Methylpropanal oxime;(E)-Isobutyraldehyde oxime;(E)-Isobutanal oxime"	"C4H9NO"	"87.0684"	"M+K+CF3COOH"	152.95602
"802364"	222.1984	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M"	0
"974755"	203.18001	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"71793"	147.124990666667	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"509167"	221.191124	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"892435"	73.0588573333333	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"9919"	221.191124	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"440972"	332.290324	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"818532"	110.091924	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"79743"	443.389524	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"519540"	665.587924	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"895776"	221.191124	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"50259"	460.416071	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"489823"	682.614471	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"864362"	238.217671	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"36624"	465.371466	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"471416"	687.569866	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"849002"	243.173066	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1621334"	243.173066	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"103332"	239.179463	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"541799"	350.278663	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"937867"	128.080263	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"277519"	479.366202	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"669212"	701.564602	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1287448"	257.167802	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"24173"	481.345406	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"467014"	703.543806	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"840806"	259.147006	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1571022"	259.147006	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"956921"	267.196594	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"375137"	489.395001	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"359873"	503.410651	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1502023"	281.212251	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"970656"	289.178551	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"118466"	257.167802	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"559119"	368.267002	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1033025"	146.068602	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1253696"	301.117285	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1313230"	303.173272	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1331821"	325.155229	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"916321"	335.183986	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1297404"	371.160664	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1376659"	187.185724	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1393062"	205.1957	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"297369"	445.404076	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"689425"	667.602476	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1366632"	223.205676	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"140855"	223.205676	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"580871"	334.304876	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1052462"	112.106476	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"219837"	149.139542666667	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"658499"	223.205676	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1177971"	75.0734093333333	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"439822"	462.430623	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"801099"	684.629023	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1695161"	240.232223	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"345473"	231.7189495	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"738368"	342.8181495	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1491136"	120.6197495	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"404346"	467.386018	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"762061"	689.584418	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1616365"	245.187618	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"328588"	234.196647	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"714814"	345.295847	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1467540"	123.097447	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1056411"	82.4007233333333	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1262462"	255.231886	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"382128"	483.359958	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"741305"	705.558358	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1544089"	261.161558	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"299118"	242.183617	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"692589"	353.282817	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1448602"	131.084417	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"238298"	486.430626	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1213194"	264.232226	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1197441"	132.619751	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"198699"	489.36796	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"639351"	711.56636	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1138118"	267.16956	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"182872"	245.187618	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"623523"	356.286818	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1124845"	134.088418	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1408369"	89.7280373333333	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1444501"	269.211146	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"230184"	250.22064	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1521528"	283.26319	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"420122"	253.174588	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"782213"	364.273788	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1673075"	142.075388	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"262875"	508.412568	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1230845"	286.214168	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1720096"	286.237693	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1186541"	97.0553513333333	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1655339"	291.193088	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"163295"	521.31584	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"598482"	743.51424	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1089555"	299.11744	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"144184"	261.161558	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"589211"	372.260758	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1075910"	150.062358	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1102554"	301.131992	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1335702"	301.219607	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1007228"	305.258776	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1528881"	306.252408	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"990586"	153.133026	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1590927"	307.167028	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1414764"	337.198538	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1148333"	173.646301	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1701897"	354.225085	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1638641"	359.18048	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1573197"	375.15442	"C03220"	"(2Z6E)-Farnesol;2-cis6-trans-Farnesol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"802474"	947.2666	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M"	0
"979286"	928.24821	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H2O-H"	-19.01839
"70810"	630.503790666667	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-3H"	-3.021828
"505997"	946.259324	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-3H"	-3.021828
"885985"	314.748257333333	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-3H"	-3.021828
"10027"	946.259324	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H"	-2.014552
"441933"	1419.892624	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H"	-2.014552
"818763"	472.626024	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H"	-2.014552
"80825"	1893.525924	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-H"	-1.007276
"521474"	2840.792524	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-H"	-1.007276
"896847"	946.259324	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H"	-1.007276
"50370"	1910.552471	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H+NH4"	16.019271
"493213"	2857.819071	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H+NH4"	16.019271
"866640"	963.285871	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H+NH4"	16.019271
"32718"	1915.507866	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H+Na"	20.974666
"471749"	2862.774466	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H+Na"	20.974666
"848859"	968.241266	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H+Na"	20.974666
"1621443"	968.241266	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na-2H"	20.974666
"100159"	964.247663	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-H+Cl"	33.962126
"537529"	1437.880963	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-H+Cl"	33.962126
"935421"	490.614363	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+Cl"	33.962126
"276165"	1929.502602	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Cl"	34.969402
"664214"	2876.769202	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+Cl"	34.969402
"1280992"	982.236002	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl"	34.969402
"24281"	1931.481806	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M-2H+K"	36.948606
"466758"	2878.748406	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M-2H+K"	36.948606
"847964"	984.215206	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-2H+K"	36.948606
"1568415"	984.215206	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K-2H"	36.948606
"955203"	992.264794	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+HCOOH"	44.998194
"375610"	1939.531401	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+HCOOH-H"	44.998201
"358401"	1953.547051	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Hac-H"	59.013851
"1501040"	1006.280451	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Hac-H"	59.013851
"969670"	1014.246751	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+NaCOOH"	66.980151
"118575"	982.236002	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2Cl"	69.938804
"562515"	1455.869302	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2Cl"	69.938804
"1031312"	508.602702	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2Cl"	69.938804
"1253808"	1026.185485	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Br"	78.918885
"1310062"	1028.241472	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl+HCOOH"	80.974872
"1325372"	1050.223429	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl+NaCOOH"	102.956829
"914244"	1060.252186	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M-H+CF3COOH"	112.985586
"1299700"	1096.228864	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Cl+CF3COOH"	148.962264
"1373487"	912.253924	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H-2H2O"	-35.012676
"1392078"	930.2639	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H-H2O"	-17.0027
"290672"	1895.540476	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H"	1.007276
"686379"	2842.807076	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H"	1.007276
"1364913"	948.273876	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H"	1.007276
"140846"	948.273876	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2H"	2.014552
"581183"	1421.907176	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2H"	2.014552
"1052008"	474.640576	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2H"	2.014552
"219891"	632.518342666667	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+3H"	3.021828
"658864"	948.273876	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+3H"	3.021828
"1177797"	316.762809333333	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+3H"	3.021828
"439768"	1912.567023	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+NH4"	18.033823
"800763"	2859.833623	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+NH4"	18.033823
"1694536"	965.300423	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+NH4"	18.033823
"344771"	956.7871495	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H+NH4"	19.041099
"737798"	1430.4204495	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H+NH4"	19.041099
"1491610"	483.1538495	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+NH4"	19.041099
"406643"	1917.522418	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Na"	22.989218
"763265"	2864.789018	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+Na"	22.989218
"1616717"	970.255818	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na"	22.989218
"328091"	959.264847	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H+Na"	23.996494
"713830"	1432.898147	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H+Na"	23.996494
"1467648"	485.631547	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+Na"	23.996494
"1056156"	324.090123333333	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2H+Na"	25.00377
"1260385"	980.300086	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+CH3OH+H"	33.033486
"385518"	1933.496358	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+K"	38.963158
"743237"	2880.762958	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+K"	38.963158
"1542377"	986.229758	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K"	38.963158
"302470"	967.251817	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+H+K"	39.970434
"695988"	1440.885117	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+H+K"	39.970434
"1456369"	493.618517	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+K"	39.970434
"244971"	1936.567026	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+ACN+H"	42.033826
"1214034"	989.300426	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+ACN+H"	42.033826
"1206669"	495.153851	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+ACN+2H"	43.041102
"198809"	1939.50436	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2Na-H"	44.97116
"640193"	2886.77096	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2Na-H"	44.97116
"1139689"	992.23776	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2Na-H"	44.97116
"179332"	970.255818	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2Na"	45.978436
"621445"	1443.889118	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2Na"	45.978436
"1126047"	496.622518	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2Na"	45.978436
"1405199"	331.417437333333	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+2Na"	46.985712
"1436222"	994.279346	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+HCOOH"	47.012746
"229201"	975.28884	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+3H2O+2H"	56.04448
"1516172"	1008.33139	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+IsoProp+H"	61.06479
"416951"	978.242788	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+Na+K"	61.952376
"779042"	1451.876088	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+Na+K"	61.952376
"1673185"	504.609488	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na+K"	61.952376
"259705"	1958.548968	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+ACN+Na"	64.015768
"1228767"	1011.282368	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+ACN+Na"	64.015768
"1717654"	1011.305893	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+NH4+HCOOH"	64.039293
"1185923"	338.744751333333	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+3Na"	68.967654
"1658729"	1016.261288	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na+HCOOH"	68.994688
"157286"	1971.45224	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2K-H"	76.91904
"597617"	2918.71884	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2K-H"	76.91904
"1085289"	1024.18564	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2K-H"	76.91904
"144294"	986.229758	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"2M+2K"	77.926316
"587134"	1459.863058	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"3M+2K"	77.926316
"1070552"	512.596458	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2K"	77.926316
"1103760"	1026.200192	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2K+H"	78.933592
"1336983"	1026.287807	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+DMSO+H"	79.021207
"1007216"	1030.326976	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2ACN+H"	83.060376
"1526804"	1031.320608	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+IsoProp+Na+H"	84.054008
"991426"	515.667126	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+2ACN+2H"	84.067652
"1589944"	1032.235228	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K+HCOOH"	84.968628
"1416698"	1062.266738	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+H+CF3COOH"	115.000138
"1147837"	536.180401	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+3ACN+2H"	125.094202
"1700914"	1079.293285	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+NH4+CF3COOH"	132.026685
"1638751"	1084.24868	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+Na+CF3COOH"	136.98208
"1574401"	1100.22262	"C03221"	"2-trans-Dodecenoyl-CoA;(2E)-Dodec-2-enoyl-CoA;(2E)-Dodecenoyl-CoA"	"C33H56N7O17P3S"	"947.2666"	"M+K+CF3COOH"	152.95602
"805864"	198.0164	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M"	0
"977209"	178.99801	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H2O-H"	-19.01839
"70920"	131.003657333333	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-3H"	-3.021828
"503191"	197.009124	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-3H"	-3.021828
"883908"	64.9981906666667	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-3H"	-3.021828
"7951"	197.009124	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H"	-2.014552
"441069"	296.017324	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H"	-2.014552
"818144"	98.000924	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H"	-2.014552
"80935"	395.025524	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-H"	-1.007276
"519762"	593.041924	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-H"	-1.007276
"898296"	197.009124	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H"	-1.007276
"48659"	412.052071	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H+NH4"	16.019271
"496603"	610.068471	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H+NH4"	16.019271
"866746"	214.035671	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H+NH4"	16.019271
"34650"	417.007466	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H+Na"	20.974666
"471779"	615.023866	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H+Na"	20.974666
"849098"	218.991066	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H+Na"	20.974666
"1619845"	218.991066	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na-2H"	20.974666
"99176"	214.997463	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-H+Cl"	33.962126
"539827"	314.005663	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-H+Cl"	33.962126
"932252"	115.989263	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+Cl"	33.962126
"274089"	431.002202	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Cl"	34.969402
"663230"	629.018602	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+Cl"	34.969402
"1278915"	232.985802	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl"	34.969402
"22568"	432.981406	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H+K"	36.948606
"458846"	630.997806	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H+K"	36.948606
"843941"	234.965006	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H+K"	36.948606
"1570960"	234.965006	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K-2H"	36.948606
"956410"	243.014594	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+HCOOH"	44.998194
"375357"	441.031001	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+HCOOH-H"	44.998201
"358510"	455.046651	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Hac-H"	59.013851
"1505886"	257.030251	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Hac-H"	59.013851
"970509"	264.996551	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+NaCOOH"	66.980151
"119779"	232.985802	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2Cl"	69.938804
"563719"	331.994002	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2Cl"	69.938804
"1032879"	133.977602	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2Cl"	69.938804
"1255740"	276.935285	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Br"	78.918885
"1312360"	278.991272	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl+HCOOH"	80.974872
"1325483"	300.973229	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl+NaCOOH"	102.956829
"916541"	311.001986	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+CF3COOH"	112.985586
"1299810"	346.978664	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl+CF3COOH"	148.962264
"1376877"	163.003724	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H-2H2O"	-35.012676
"1395468"	181.0137	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H-H2O"	-17.0027
"292968"	397.040076	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H"	1.007276
"687582"	595.056476	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H"	1.007276
"1366606"	199.023676	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H"	1.007276
"141201"	199.023676	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2H"	2.014552
"581363"	298.031876	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2H"	2.014552
"1052242"	100.015476	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2H"	2.014552
"219644"	133.018209333333	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+3H"	3.021828
"659867"	199.023676	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+3H"	3.021828
"1178189"	67.0127426666667	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+3H"	3.021828
"439911"	414.066623	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+NH4"	18.033823
"801115"	612.083023	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+NH4"	18.033823
"1695013"	216.050223	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+NH4"	18.033823
"342924"	207.5369495	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H+NH4"	19.041099
"738265"	306.5451495	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H+NH4"	19.041099
"1492367"	108.5287495	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+NH4"	19.041099
"406752"	419.022018	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Na"	22.989218
"767749"	617.038418	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+Na"	22.989218
"1611480"	221.005618	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na"	22.989218
"321517"	210.014647	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H+Na"	23.996494
"712843"	309.022847	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H+Na"	23.996494
"1464841"	111.006447	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+Na"	23.996494
"1054805"	74.3400566666667	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2H+Na"	25.00377
"1257941"	231.049886	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+CH3OH+H"	33.033486
"379067"	434.995958	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+K"	38.963158
"740430"	633.012358	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+K"	38.963158
"1545402"	236.979558	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K"	38.963158
"303670"	218.001617	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H+K"	39.970434
"695004"	317.009817	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H+K"	39.970434
"1449917"	118.993417	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+K"	39.970434
"245081"	438.066626	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+ACN+H"	42.033826
"1215966"	240.050226	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+ACN+H"	42.033826
"1204956"	120.528751	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+ACN+2H"	43.041102
"197827"	441.00396	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2Na-H"	44.97116
"637388"	639.02036	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2Na-H"	44.97116
"1140892"	242.98756	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2Na-H"	44.97116
"177255"	221.005618	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2Na"	45.978436
"619003"	320.013818	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2Na"	45.978436
"1123971"	121.997418	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2Na"	45.978436
"1404216"	81.6673706666667	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+2Na"	46.985712
"1437426"	245.029146	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+HCOOH"	47.012746
"229311"	226.03864	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+3H2O+2H"	56.04448
"1521385"	259.08119	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+IsoProp+H"	61.06479
"420341"	228.992588	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Na+K"	61.952376
"776966"	328.000788	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+Na+K"	61.952376
"1675481"	129.984388	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na+K"	61.952376
"258723"	460.048568	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+ACN+Na"	64.015768
"1229971"	262.032168	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+ACN+Na"	64.015768
"1717764"	262.055693	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+NH4+HCOOH"	64.039293
"1186033"	88.9946846666667	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+3Na"	68.967654
"1658840"	267.011088	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na+HCOOH"	68.994688
"157172"	472.95184	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2K-H"	76.91904
"597296"	670.96824	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2K-H"	76.91904
"1084792"	274.93544	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2K-H"	76.91904
"144404"	236.979558	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2K"	77.926316
"583234"	335.987758	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2K"	77.926316
"1069202"	137.971358	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2K"	77.926316
"1102778"	276.949992	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2K+H"	78.933592
"1336122"	277.037607	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+DMSO+H"	79.021207
"1006961"	281.076776	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2ACN+H"	83.060376
"1524522"	282.070408	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+IsoProp+Na+H"	84.054008
"991170"	141.042026	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2ACN+2H"	84.067652
"1587500"	282.985028	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K+HCOOH"	84.968628
"1416807"	313.016538	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+CF3COOH"	115.000138
"1148311"	161.555301	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+3ACN+2H"	125.094202
"1699931"	330.043085	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+NH4+CF3COOH"	132.026685
"1637768"	334.99848	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na+CF3COOH"	136.98208
"1572325"	350.97242	"C03223"	"34-Dihydroxyphthalate;34-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K+CF3COOH"	152.95602
"802695"	336.8949	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M"	0
"979507"	317.87651	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H2O-H"	-19.01839
"74310"	223.589324	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-3H"	-3.021828
"509497"	335.887624	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-3H"	-3.021828
"884018"	111.291024	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-3H"	-3.021828
"1861"	335.887624	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H"	-2.014552
"443248"	504.335074	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H"	-2.014552
"822143"	167.440174	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H"	-2.014552
"79952"	672.782524	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-H"	-1.007276
"522058"	1009.677424	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-H"	-1.007276
"897429"	335.887624	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H"	-1.007276
"49617"	689.809071	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H+NH4"	16.019271
"488204"	1026.703971	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H+NH4"	16.019271
"865760"	352.914171	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H+NH4"	16.019271
"31620"	694.764466	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H+Na"	20.974666
"472016"	1031.659366	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H+Na"	20.974666
"849455"	357.869566	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H+Na"	20.974666
"1619351"	357.869566	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na-2H"	20.974666
"95273"	353.875963	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-H+Cl"	33.962126
"535198"	522.323413	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-H+Cl"	33.962126
"928715"	185.428513	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+Cl"	33.962126
"267996"	708.759202	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Cl"	34.969402
"661146"	1045.654102	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+Cl"	34.969402
"1274407"	371.864302	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl"	34.969402
"17572"	710.738406	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H+K"	36.948606
"459685"	1047.633306	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H+K"	36.948606
"841134"	373.843506	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H+K"	36.948606
"1570459"	373.843506	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K-2H"	36.948606
"957613"	381.893094	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+HCOOH"	44.998194
"376196"	718.788001	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+HCOOH-H"	44.998201
"360082"	732.803651	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Hac-H"	59.013851
"1506726"	395.908751	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Hac-H"	59.013851
"970255"	403.875051	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+NaCOOH"	66.980151
"119889"	371.864302	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2Cl"	69.938804
"561643"	540.311752	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2Cl"	69.938804
"1034449"	203.416852	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2Cl"	69.938804
"1241593"	415.813785	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Br"	78.918885
"1308097"	417.869772	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl+HCOOH"	80.974872
"1324500"	439.851729	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl+NaCOOH"	102.956829
"917745"	449.880486	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+CF3COOH"	112.985586
"1297733"	485.857164	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl+CF3COOH"	148.962264
"1374801"	301.882224	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H-2H2O"	-35.012676
"1390112"	319.8922	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H-H2O"	-17.0027
"293079"	674.797076	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H"	1.007276
"684406"	1011.691976	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H"	1.007276
"1366636"	337.902176	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H"	1.007276
"141258"	337.902176	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2H"	2.014552
"581115"	506.349626	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2H"	2.014552
"1052587"	169.454726	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2H"	2.014552
"218908"	225.603876	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+3H"	3.021828
"659360"	337.902176	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+3H"	3.021828
"1177443"	113.305576	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+3H"	3.021828
"439585"	691.823623	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+NH4"	18.033823
"800984"	1028.718523	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+NH4"	18.033823
"1696097"	354.928723	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+NH4"	18.033823
"345429"	346.4154495	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H+NH4"	19.041099
"737644"	514.8628995	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H+NH4"	19.041099
"1492581"	177.9679995	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+NH4"	19.041099
"407839"	696.779018	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Na"	22.989218
"764584"	1033.673918	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+Na"	22.989218
"1608312"	359.884118	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na"	22.989218
"317255"	348.893147	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H+Na"	23.996494
"710766"	517.340597	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H+Na"	23.996494
"1466045"	180.445697	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+Na"	23.996494
"1054185"	120.63289	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2H+Na"	25.00377
"1261698"	369.928386	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+CH3OH+H"	33.033486
"378205"	712.752958	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+K"	38.963158
"740904"	1049.647858	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+K"	38.963158
"1544055"	375.858058	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K"	38.963158
"302323"	356.880117	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H+K"	39.970434
"696208"	525.327567	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H+K"	39.970434
"1448936"	188.432667	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+K"	39.970434
"241910"	715.823626	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+ACN+H"	42.033826
"1212796"	378.928726	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+ACN+H"	42.033826
"1203971"	189.968001	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+ACN+2H"	43.041102
"196842"	718.76096	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2Na-H"	44.97116
"635308"	1055.65586	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2Na-H"	44.97116
"1137722"	381.86606	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2Na-H"	44.97116
"177365"	359.884118	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2Na"	45.978436
"618750"	528.331568	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2Na"	45.978436
"1121895"	191.436668	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2Na"	45.978436
"1405419"	127.960204	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+2Na"	46.985712
"1437535"	383.907646	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+HCOOH"	47.012746
"228331"	364.91714	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+3H2O+2H"	56.04448
"1521495"	397.95969	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+IsoProp+H"	61.06479
"421545"	367.871088	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Na+K"	61.952376
"778167"	536.318538	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+Na+K"	61.952376
"1674497"	199.423638	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na+K"	61.952376
"259923"	737.805568	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+ACN+Na"	64.015768
"1227893"	400.910668	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+ACN+Na"	64.015768
"1715321"	400.934193	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+NH4+HCOOH"	64.039293
"1186869"	135.287518	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+3Na"	68.967654
"1650933"	405.889588	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na+HCOOH"	68.994688
"158888"	750.70884	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2K-H"	76.91904
"600999"	1087.60374	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2K-H"	76.91904
"1086604"	413.81394	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2K-H"	76.91904
"149981"	375.858058	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2K"	77.926316
"584071"	544.305508	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2K"	77.926316
"1070774"	207.410608	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2K"	77.926316
"1102881"	415.828492	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2K+H"	78.933592
"1337324"	415.916107	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+DMSO+H"	79.021207
"1007075"	419.955276	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2ACN+H"	83.060376
"1524830"	420.948908	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+IsoProp+Na+H"	84.054008
"993477"	210.481276	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2ACN+2H"	84.067652
"1587248"	421.863528	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K+HCOOH"	84.968628
"1416919"	451.895038	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+CF3COOH"	115.000138
"1147093"	230.994551	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+3ACN+2H"	125.094202
"1697486"	468.921585	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+NH4+CF3COOH"	132.026685
"1635690"	473.87698	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na+CF3COOH"	136.98208
"1578998"	489.85092	"C03224"	"35-Dibromo-L-tyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K+CF3COOH"	152.95602
"812645"	271.0441	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M"	0
"982897"	252.02571	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-H2O-H"	-19.01839
"72233"	179.688790666667	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M-3H"	-3.021828
"510700"	270.036824	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M-3H"	-3.021828
"884128"	89.3407573333333	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-3H"	-3.021828
"5253"	270.036824	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M-2H"	-2.014552
"443722"	405.558874	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M-2H"	-2.014552
"822253"	134.514774	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-2H"	-2.014552
"83342"	541.080924	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M-H"	-1.007276
"522533"	812.125024	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M-H"	-1.007276
"897055"	270.036824	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-H"	-1.007276
"49973"	558.107471	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M-2H+NH4"	16.019271
"488318"	829.151571	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M-2H+NH4"	16.019271
"865874"	287.063371	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-2H+NH4"	16.019271
"32081"	563.062866	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M-2H+Na"	20.974666
"472492"	834.106966	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M-2H+Na"	20.974666
"850295"	292.018766	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-2H+Na"	20.974666
"1619096"	292.018766	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Na-2H"	20.974666
"95140"	288.025163	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M-H+Cl"	33.962126
"534823"	423.547213	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M-H+Cl"	33.962126
"929191"	152.503113	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-H+Cl"	33.962126
"269202"	577.057602	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+Cl"	34.969402
"661625"	848.101702	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+Cl"	34.969402
"1274760"	306.013502	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Cl"	34.969402
"17317"	579.036806	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M-2H+K"	36.948606
"457972"	850.080906	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M-2H+K"	36.948606
"838327"	307.992706	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-2H+K"	36.948606
"1570568"	307.992706	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+K-2H"	36.948606
"955171"	316.042294	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-H+HCOOH"	44.998194
"376431"	587.086401	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+HCOOH-H"	44.998201
"360071"	601.102051	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+Hac-H"	59.013851
"1506837"	330.057951	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Hac-H"	59.013851
"971458"	338.024251	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-H+NaCOOH"	66.980151
"118906"	306.013502	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+2Cl"	69.938804
"562845"	441.535552	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+2Cl"	69.938804
"1034924"	170.491452	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2Cl"	69.938804
"1244665"	349.962985	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Br"	78.918885
"1313674"	352.018972	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Cl+HCOOH"	80.974872
"1327890"	374.000929	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Cl+NaCOOH"	102.956829
"923324"	384.029686	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M-H+CF3COOH"	112.985586
"1301123"	420.006364	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Cl+CF3COOH"	148.962264
"1380014"	236.031424	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H-2H2O"	-35.012676
"1390222"	254.0414	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H-H2O"	-17.0027
"293189"	543.095476	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+H"	1.007276
"684516"	814.139576	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+H"	1.007276
"1366826"	272.051376	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H"	1.007276
"140816"	272.051376	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+2H"	2.014552
"581189"	407.573426	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+2H"	2.014552
"1052647"	136.529326	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2H"	2.014552
"219139"	181.703342666667	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+3H"	3.021828
"658337"	272.051376	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+3H"	3.021828
"1177925"	91.3553093333334	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+3H"	3.021828
"439869"	560.122023	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+NH4"	18.033823
"800367"	831.166123	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+NH4"	18.033823
"1696859"	289.077923	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+NH4"	18.033823
"345222"	280.5646495	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+H+NH4"	19.041099
"738433"	416.0866995	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+H+NH4"	19.041099
"1492719"	145.0425995	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H+NH4"	19.041099
"405885"	565.077418	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+Na"	22.989218
"762509"	836.121518	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+Na"	22.989218
"1612796"	294.033318	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Na"	22.989218
"318459"	283.042347	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+H+Na"	23.996494
"710879"	418.564397	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+H+Na"	23.996494
"1463604"	147.520297	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H+Na"	23.996494
"1057942"	98.6826233333333	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2H+Na"	25.00377
"1265090"	304.077586	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+CH3OH+H"	33.033486
"378680"	581.051358	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+K"	38.963158
"739314"	852.095458	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+K"	38.963158
"1543437"	310.007258	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+K"	38.963158
"302433"	291.029317	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+H+K"	39.970434
"697411"	426.551367	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+H+K"	39.970434
"1451232"	155.507267	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H+K"	39.970434
"240927"	584.122026	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+ACN+H"	42.033826
"1209907"	313.077926	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+ACN+H"	42.033826
"1195692"	157.042601	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+ACN+2H"	43.041102
"192577"	587.05936	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+2Na-H"	44.97116
"632500"	858.10346	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+2Na-H"	44.97116
"1138925"	316.01526	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2Na-H"	44.97116
"175655"	294.033318	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+2Na"	45.978436
"616670"	429.555368	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+2Na"	45.978436
"1123098"	158.511268	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2Na"	45.978436
"1400424"	106.009937333333	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H+2Na"	46.985712
"1434728"	318.056846	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H+HCOOH"	47.012746
"231722"	299.06634	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+3H2O+2H"	56.04448
"1522942"	332.10889	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+IsoProp+H"	61.06479
"422749"	302.020288	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+Na+K"	61.952376
"780464"	437.542338	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+Na+K"	61.952376
"1672784"	166.498238	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Na+K"	61.952376
"261127"	606.103968	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+ACN+Na"	64.015768
"1230190"	335.059868	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+ACN+Na"	64.015768
"1718711"	335.083393	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+NH4+HCOOH"	64.039293
"1186979"	113.337251333333	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+3Na"	68.967654
"1652866"	340.038788	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Na+HCOOH"	68.994688
"158998"	619.00724	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+2K-H"	76.91904
"601109"	890.05134	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+2K-H"	76.91904
"1086714"	347.96314	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2K-H"	76.91904
"146811"	310.007258	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"2M+2K"	77.926316
"584056"	445.529308	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"3M+2K"	77.926316
"1070517"	174.485208	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2K"	77.926316
"1102267"	349.977692	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2K+H"	78.933592
"1337920"	350.065307	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+DMSO+H"	79.021207
"1006334"	354.104476	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2ACN+H"	83.060376
"1525310"	355.098108	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+IsoProp+Na+H"	84.054008
"993587"	177.555876	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+2ACN+2H"	84.067652
"1587354"	356.012728	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+K+HCOOH"	84.968628
"1415936"	386.044238	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+H+CF3COOH"	115.000138
"1148407"	198.069151	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+3ACN+2H"	125.094202
"1697230"	403.070785	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+NH4+CF3COOH"	132.026685
"1635071"	408.02618	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+Na+CF3COOH"	136.98208
"1579108"	424.00012	"C03225"	"35-Dinitro-L-tyrosine"	"C9H9N3O7"	"271.0441"	"M+K+CF3COOH"	152.95602
"811663"	780.6057	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M"	0
"986289"	761.58731	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-H2O-H"	-19.01839
"69064"	519.396524	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M-3H"	-3.021828
"517740"	779.598424	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M-3H"	-3.021828
"894081"	259.194624	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-3H"	-3.021828
"3540"	779.598424	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M-2H"	-2.014552
"446749"	1169.901274	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M-2H"	-2.014552
"824550"	389.295574	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-2H"	-2.014552
"78997"	1560.204124	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M-H"	-1.007276
"521917"	2340.809824	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M-H"	-1.007276
"897164"	779.598424	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-H"	-1.007276
"47689"	1577.230671	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M-2H+NH4"	16.019271
"487698"	2357.836371	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M-2H+NH4"	16.019271
"864892"	796.624971	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-2H+NH4"	16.019271
"31829"	1582.186066	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M-2H+Na"	20.974666
"471709"	2362.791766	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M-2H+Na"	20.974666
"850163"	801.580366	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-2H+Na"	20.974666
"1619211"	801.580366	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Na-2H"	20.974666
"98414"	797.586763	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M-H+Cl"	33.962126
"535784"	1187.889613	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M-H+Cl"	33.962126
"928206"	407.283913	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-H+Cl"	33.962126
"267407"	1596.180802	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+Cl"	34.969402
"660638"	2376.786502	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+Cl"	34.969402
"1273044"	815.575102	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Cl"	34.969402
"15884"	1598.160006	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M-2H+K"	36.948606
"456013"	2378.765706	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M-2H+K"	36.948606
"834426"	817.554306	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-2H+K"	36.948606
"1563751"	817.554306	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+K-2H"	36.948606
"953823"	825.603894	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-H+HCOOH"	44.998194
"373132"	1606.209601	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+HCOOH-H"	44.998201
"360176"	1620.225251	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+Hac-H"	59.013851
"1507552"	839.619551	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Hac-H"	59.013851
"970109"	847.585851	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-H+NaCOOH"	66.980151
"117923"	815.575102	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+2Cl"	69.938804
"560768"	1205.877952	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+2Cl"	69.938804
"1033210"	425.272252	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2Cl"	69.938804
"1243682"	859.524585	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Br"	78.918885
"1310504"	861.580572	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Cl+HCOOH"	80.974872
"1331280"	883.562529	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Cl+NaCOOH"	102.956829
"926348"	893.591286	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M-H+CF3COOH"	112.985586
"1297953"	929.567964	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Cl+CF3COOH"	148.962264
"1379760"	745.593024	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H-2H2O"	-35.012676
"1390332"	763.603	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H-H2O"	-17.0027
"295487"	1562.218676	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+H"	1.007276
"686813"	2342.824376	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+H"	1.007276
"1366903"	781.612976	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H"	1.007276
"141163"	781.612976	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+2H"	2.014552
"581342"	1171.915826	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+2H"	2.014552
"1052652"	391.310126	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2H"	2.014552
"219857"	521.411076	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+3H"	3.021828
"659801"	781.612976	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+3H"	3.021828
"1177294"	261.209176	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+3H"	3.021828
"439770"	1579.245223	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+NH4"	18.033823
"801086"	2359.850923	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+NH4"	18.033823
"1696728"	798.639523	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+NH4"	18.033823
"345411"	790.1262495	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+H+NH4"	19.041099
"737135"	1180.4290995	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+H+NH4"	19.041099
"1491929"	399.8233995	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H+NH4"	19.041099
"403809"	1584.200618	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+Na"	22.989218
"761526"	2364.806318	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+Na"	22.989218
"1611812"	803.594918	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Na"	22.989218
"320755"	792.603947	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+H+Na"	23.996494
"715363"	1182.906797	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+H+Na"	23.996494
"1463716"	402.301097	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H+Na"	23.996494
"1058051"	268.53649	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2H+Na"	25.00377
"1259731"	813.639186	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+CH3OH+H"	33.033486
"379401"	1600.174558	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+K"	38.963158
"741490"	2380.780258	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+K"	38.963158
"1543547"	819.568858	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+K"	38.963158
"301087"	800.590917	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+H+K"	39.970434
"698614"	1190.893767	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+H+K"	39.970434
"1450249"	410.288067	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H+K"	39.970434
"238485"	1603.245226	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+ACN+H"	42.033826
"1210462"	822.639526	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+ACN+H"	42.033826
"1195316"	411.823401	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+ACN+2H"	43.041102
"189764"	1606.18256	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+2Na-H"	44.97116
"630057"	2386.78826	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+2Na-H"	44.97116
"1139035"	825.57686	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2Na-H"	44.97116
"179045"	803.594918	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+2Na"	45.978436
"617874"	1193.897768	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+2Na"	45.978436
"1123207"	413.292068	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2Na"	45.978436
"1402355"	275.863804	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H+2Na"	46.985712
"1434838"	827.618446	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H+HCOOH"	47.012746
"234868"	808.62794	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+3H2O+2H"	56.04448
"1523944"	841.67049	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+IsoProp+H"	61.06479
"421765"	811.581888	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+Na+K"	61.952376
"782761"	1201.884738	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+Na+K"	61.952376
"1677997"	421.279038	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Na+K"	61.952376
"264518"	1625.227168	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+ACN+Na"	64.015768
"1231759"	844.621468	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+ACN+Na"	64.015768
"1722831"	844.644993	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+NH4+HCOOH"	64.039293
"1192557"	283.191118	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+3Na"	68.967654
"1652976"	849.600388	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Na+HCOOH"	68.994688
"159108"	1638.13044	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+2K-H"	76.91904
"601583"	2418.73614	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+2K-H"	76.91904
"1089011"	857.52474	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2K-H"	76.91904
"146921"	819.568858	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"2M+2K"	77.926316
"587574"	1209.871708	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"3M+2K"	77.926316
"1073182"	429.266008	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2K"	77.926316
"1104204"	859.539292	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2K+H"	78.933592
"1336452"	859.626907	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+DMSO+H"	79.021207
"1007174"	863.666076	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2ACN+H"	83.060376
"1525782"	864.659708	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+IsoProp+Na+H"	84.054008
"994790"	432.336676	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+2ACN+2H"	84.067652
"1587586"	865.574328	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+K+HCOOH"	84.968628
"1414342"	895.605838	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+H+CF3COOH"	115.000138
"1148154"	452.849951	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+3ACN+2H"	125.094202
"1697342"	912.632385	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+NH4+CF3COOH"	132.026685
"1635302"	917.58778	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+Na+CF3COOH"	136.98208
"1579218"	933.56172	"C03226"	"3-Demethylubiquinone-9"	"C53H80O4"	"780.6057"	"M+K+CF3COOH"	152.95602
"806305"	224.0797	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M"	0
"988585"	205.06131	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H2O-H"	-19.01839
"73547"	148.379190666667	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-3H"	-3.021828
"510921"	223.072424	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-3H"	-3.021828
"887629"	73.6859573333333	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-3H"	-3.021828
"1829"	223.072424	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H"	-2.014552
"445766"	335.112274	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H"	-2.014552
"821380"	111.032574	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H"	-2.014552
"78645"	447.152124	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-H"	-1.007276
"520934"	671.231824	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-H"	-1.007276
"896301"	223.072424	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H"	-1.007276
"47230"	464.178671	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+NH4"	16.019271
"487204"	688.258371	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+NH4"	16.019271
"864484"	240.098971	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+NH4"	16.019271
"31935"	469.134066	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+Na"	20.974666
"471982"	693.213766	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+Na"	20.974666
"849057"	245.054366	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+Na"	20.974666
"1619808"	245.054366	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na-2H"	20.974666
"98524"	241.060763	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-H+Cl"	33.962126
"535165"	353.100613	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-H+Cl"	33.962126
"928681"	129.020913	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+Cl"	33.962126
"267229"	483.128802	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Cl"	34.969402
"660383"	707.208502	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Cl"	34.969402
"1273313"	259.049102	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl"	34.969402
"17291"	485.108006	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+K"	36.948606
"455833"	709.187706	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+K"	36.948606
"835626"	261.028306	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+K"	36.948606
"1561674"	261.028306	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K-2H"	36.948606
"953933"	269.077894	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+HCOOH"	44.998194
"372149"	493.157601	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+HCOOH-H"	44.998201
"358222"	507.173251	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Hac-H"	59.013851
"1505596"	283.093551	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Hac-H"	59.013851
"969126"	291.059851	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+NaCOOH"	66.980151
"115847"	259.049102	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Cl"	69.938804
"560879"	371.088952	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Cl"	69.938804
"1032955"	147.009252	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Cl"	69.938804
"1243792"	302.998585	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Br"	78.918885
"1310614"	305.054572	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+HCOOH"	80.974872
"1330297"	327.036529	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+NaCOOH"	102.956829
"923542"	337.065286	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+CF3COOH"	112.985586
"1301343"	373.041964	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+CF3COOH"	148.962264
"1380598"	189.067024	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H-2H2O"	-35.012676
"1387162"	207.077	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H-H2O"	-17.0027
"292317"	449.166676	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H"	1.007276
"685830"	673.246376	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H"	1.007276
"1366685"	225.086976	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H"	1.007276
"141151"	225.086976	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2H"	2.014552
"581232"	337.126826	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2H"	2.014552
"1052065"	113.047126	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2H"	2.014552
"219601"	150.393742666667	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+3H"	3.021828
"659525"	225.086976	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+3H"	3.021828
"1177769"	75.7005093333333	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3H"	3.021828
"439470"	466.193223	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+NH4"	18.033823
"801073"	690.272923	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+NH4"	18.033823
"1696674"	242.113523	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4"	18.033823
"343730"	233.6002495	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+NH4"	19.041099
"735786"	345.6400995	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+NH4"	19.041099
"1492327"	121.5603995	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+NH4"	19.041099
"403918"	471.148618	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Na"	22.989218
"761636"	695.228318	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Na"	22.989218
"1610829"	247.068918	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na"	22.989218
"317584"	236.077947	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+Na"	23.996494
"711098"	348.117797	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+Na"	23.996494
"1462730"	124.038097	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+Na"	23.996494
"1057071"	83.0278233333333	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2H+Na"	25.00377
"1260571"	257.113186	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+CH3OH+H"	33.033486
"378781"	487.122558	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+K"	38.963158
"740143"	711.202258	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+K"	38.963158
"1543656"	263.042858	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K"	38.963158
"300468"	244.064917	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+K"	39.970434
"698724"	356.104767	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+K"	39.970434
"1449265"	132.025067	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+K"	39.970434
"238231"	490.193226	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+ACN+H"	42.033826
"1210329"	266.113526	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+H"	42.033826
"1194940"	133.560401	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+2H"	43.041102
"188689"	493.13056	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Na-H"	44.97116
"629314"	717.21026	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Na-H"	44.97116
"1134040"	269.05086	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Na-H"	44.97116
"178062"	247.068918	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Na"	45.978436
"616163"	359.108768	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Na"	45.978436
"1121130"	135.029068	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Na"	45.978436
"1403560"	90.3551373333333	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+2Na"	46.985712
"1436770"	271.092446	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+HCOOH"	47.012746
"231941"	252.10194	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+3H2O+2H"	56.04448
"1522188"	285.14449	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+H"	61.06479
"419688"	255.055888	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Na+K"	61.952376
"778498"	367.095738	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Na+K"	61.952376
"1674826"	143.016038	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+K"	61.952376
"262439"	512.175168	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+ACN+Na"	64.015768
"1231868"	288.095468	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+Na"	64.015768
"1720754"	288.118993	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4+HCOOH"	64.039293
"1187199"	97.6824513333333	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3Na"	68.967654
"1656000"	293.074388	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+HCOOH"	68.994688
"158849"	525.07844	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2K-H"	76.91904
"598530"	749.15814	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2K-H"	76.91904
"1085352"	300.99874	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K-H"	76.91904
"142045"	263.042858	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2K"	77.926316
"584404"	375.082708	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2K"	77.926316
"1069155"	151.003008	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K"	77.926316
"1101275"	303.013292	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K+H"	78.933592
"1336076"	303.100907	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+DMSO+H"	79.021207
"1005865"	307.140076	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2ACN+H"	83.060376
"1524920"	308.133708	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+Na+H"	84.054008
"993807"	154.073676	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2ACN+2H"	84.067652
"1587246"	309.048328	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K+HCOOH"	84.968628
"1414338"	339.079838	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+CF3COOH"	115.000138
"1147657"	174.586951	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3ACN+2H"	125.094202
"1697453"	356.106385	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4+CF3COOH"	132.026685
"1635291"	361.06178	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+CF3COOH"	136.98208
"1579328"	377.03572	"C03227"	"3-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K+CF3COOH"	152.95602
"806415"	114.0681	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M"	0
"988695"	95.04971	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-H2O-H"	-19.01839
"74750"	75.038124	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M-3H"	-3.021828
"511031"	113.060824	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M-3H"	-3.021828
"887739"	37.015424	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-3H"	-3.021828
"3034"	113.060824	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M-2H"	-2.014552
"445876"	170.094874	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M-2H"	-2.014552
"823677"	56.026774	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-2H"	-2.014552
"79171"	227.128924	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M-H"	-1.007276
"520071"	341.197024	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M-H"	-1.007276
"896411"	113.060824	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-H"	-1.007276
"48111"	244.155471	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M-2H+NH4"	16.019271
"487673"	358.223571	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M-2H+NH4"	16.019271
"865227"	130.087371	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-2H+NH4"	16.019271
"32533"	249.110866	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M-2H+Na"	20.974666
"471971"	363.178966	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M-2H+Na"	20.974666
"850383"	135.042766	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-2H+Na"	20.974666
"1619918"	135.042766	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Na-2H"	20.974666
"99727"	131.049163	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M-H+Cl"	33.962126
"536005"	188.083213	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M-H+Cl"	33.962126
"929155"	74.015113	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-H+Cl"	33.962126
"267705"	263.105602	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+Cl"	34.969402
"660494"	377.173702	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+Cl"	34.969402
"1273100"	149.037502	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Cl"	34.969402
"18010"	265.084806	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M-2H+K"	36.948606
"457325"	379.152906	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M-2H+K"	36.948606
"839018"	151.016706	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-2H+K"	36.948606
"1560321"	151.016706	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+K-2H"	36.948606
"948574"	159.066294	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-H+HCOOH"	44.998194
"370073"	273.134401	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+HCOOH-H"	44.998201
"355051"	287.150051	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+Hac-H"	59.013851
"1499508"	173.081951	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Hac-H"	59.013851
"964862"	181.048251	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-H+NaCOOH"	66.980151
"114134"	149.037502	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+2Cl"	69.938804
"558801"	206.071552	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+2Cl"	69.938804
"1033065"	92.003452	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2Cl"	69.938804
"1247182"	192.986985	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Br"	78.918885
"1306350"	195.042972	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Cl+HCOOH"	80.974872
"1327127"	217.024929	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Cl+NaCOOH"	102.956829
"917092"	227.053686	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M-H+CF3COOH"	112.985586
"1301453"	263.030364	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Cl+CF3COOH"	148.962264
"1374148"	79.055424	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H-2H2O"	-35.012676
"1387272"	97.0654	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H-H2O"	-17.0027
"296679"	229.143476	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+H"	1.007276
"689220"	343.211576	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+H"	1.007276
"1365939"	115.075376	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H"	1.007276
"140535"	115.075376	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+2H"	2.014552
"580461"	172.109426	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+2H"	2.014552
"1052543"	58.041326	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2H"	2.014552
"218862"	77.052676	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+3H"	3.021828
"659350"	115.075376	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+3H"	3.021828
"1177764"	39.029976	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+3H"	3.021828
"439702"	246.170023	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+NH4"	18.033823
"801060"	360.238123	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+NH4"	18.033823
"1696786"	132.101923	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+NH4"	18.033823
"345512"	123.5886495	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+H+NH4"	19.041099
"738009"	180.6226995	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+H+NH4"	19.041099
"1492235"	66.5545995	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H+NH4"	19.041099
"405121"	251.125418	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+Na"	22.989218
"765025"	365.193518	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+Na"	22.989218
"1610939"	137.057318	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Na"	22.989218
"318787"	126.066347	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+H+Na"	23.996494
"713395"	183.100397	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+H+Na"	23.996494
"1463935"	69.032297	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H+Na"	23.996494
"1057180"	46.35729	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2H+Na"	25.00377
"1263232"	147.101586	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+CH3OH+H"	33.033486
"378162"	267.099358	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+K"	38.963158
"740617"	381.167458	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+K"	38.963158
"1542673"	153.031258	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+K"	38.963158
"299606"	134.053317	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+H+K"	39.970434
"697741"	191.087367	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+H+K"	39.970434
"1448281"	77.019267	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H+K"	39.970434
"239434"	270.170026	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+ACN+H"	42.033826
"1210559"	156.101926	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+ACN+H"	42.033826
"1196756"	78.554601	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+ACN+2H"	43.041102
"189128"	273.10736	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+2Na-H"	44.97116
"629547"	387.17546	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+2Na-H"	44.97116
"1138162"	159.03926	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2Na-H"	44.97116
"175985"	137.057318	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+2Na"	45.978436
"621013"	194.091368	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+2Na"	45.978436
"1121240"	80.023268	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2Na"	45.978436
"1404763"	53.684604	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H+2Na"	46.985712
"1435786"	161.080846	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H+HCOOH"	47.012746
"229137"	142.09034	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+3H2O+2H"	56.04448
"1519384"	175.13289	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+IsoProp+H"	61.06479
"420163"	145.044288	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+Na+K"	61.952376
"776421"	202.078338	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+Na+K"	61.952376
"1671657"	88.010238	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Na+K"	61.952376
"258177"	292.151968	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+ACN+Na"	64.015768
"1228698"	178.083868	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+ACN+Na"	64.015768
"1717583"	178.107393	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+NH4+HCOOH"	64.039293
"1186215"	61.011918	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+3Na"	68.967654
"1652100"	183.062788	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Na+HCOOH"	68.994688
"159688"	305.05524	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+2K-H"	76.91904
"598882"	419.12334	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+2K-H"	76.91904
"1088135"	190.98714	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2K-H"	76.91904
"143855"	153.031258	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"2M+2K"	77.926316
"582808"	210.065308	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"3M+2K"	77.926316
"1070360"	95.997208	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2K"	77.926316
"1101017"	193.001692	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2K+H"	78.933592
"1335744"	193.089307	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+DMSO+H"	79.021207
"1006537"	197.128476	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2ACN+H"	83.060376
"1524906"	198.122108	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+IsoProp+Na+H"	84.054008
"992824"	99.067876	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+2ACN+2H"	84.067652
"1587238"	199.036728	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+K+HCOOH"	84.968628
"1414313"	229.068238	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+H+CF3COOH"	115.000138
"1148010"	119.581151	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+3ACN+2H"	125.094202
"1697088"	246.094785	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+NH4+CF3COOH"	132.026685
"1636495"	251.05018	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+Na+CF3COOH"	136.98208
"1579438"	267.02412	"C03228"	"3-Hydroxycyclohexanone"	"C6H10O2"	"114.0681"	"M+K+CF3COOH"	152.95602
"807619"	175.0633	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M"	0
"989172"	156.04491	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"72675"	115.701590666667	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"515516"	174.056024	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"893318"	57.3471573333333	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"5333"	174.056024	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"449266"	261.587674	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"822695"	86.524374	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"80504"	349.119324	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"519573"	524.182624	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"896401"	174.056024	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"47413"	366.145871	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"487665"	541.209171	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"868512"	191.082571	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"36415"	371.101266	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"479257"	546.164566	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"855965"	196.037966	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1624404"	196.037966	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"97651"	192.044363	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"535752"	279.576013	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"927805"	104.512713	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"268308"	385.096002	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"660969"	560.159302	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1274347"	210.032702	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"20307"	387.075206	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"462788"	562.138506	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"836940"	212.011906	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1561162"	212.011906	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"950875"	220.061494	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"369091"	395.124801	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"351879"	409.140451	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1496338"	234.077151	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"969349"	242.043451	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"122633"	210.032702	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"562921"	297.564352	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1032814"	122.501052	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1245106"	253.982185	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1308647"	256.038172	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1325050"	278.020129	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"920481"	288.048886	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1301564"	324.025564	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1379728"	140.050624	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1397224"	158.0606	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"297881"	351.133876	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"690553"	526.197176	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1366050"	176.070576	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"141005"	176.070576	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"579601"	263.602226	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1051922"	88.538926	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"219578"	117.716142666667	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"659383"	176.070576	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1177994"	59.3617093333333	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"439320"	368.160423	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"801222"	543.223723	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1696967"	193.097123	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"345047"	184.5838495	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"738460"	272.1154995	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1492633"	97.0521995	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"403048"	373.115818	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"767323"	548.179118	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1608863"	198.052518	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"316713"	187.061547	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"708162"	274.593197	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1465142"	99.529897	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1054369"	66.6890233333333	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1258967"	208.096786	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"377662"	389.089758	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"742912"	564.153058	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1542785"	214.026458	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"306525"	195.048517	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"700040"	282.580167	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1456048"	107.516867	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"244651"	392.160426	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1218453"	217.097126	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1200148"	109.052201	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"198488"	395.09776	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"631848"	570.16106	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1138272"	220.03446	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"179380"	198.052518	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"622585"	285.584168	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1125726"	110.520868	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1410345"	74.0163373333333	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1440274"	222.076046	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"226698"	203.08554	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1513666"	236.12809	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"413351"	206.039488	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"772156"	293.571138	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1667393"	118.507838	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"254277"	414.142368	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1227104"	239.079068	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1717694"	239.102593	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1181226"	81.3436513333333	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1652574"	244.057988	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"158100"	427.04564	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"600817"	602.10894	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1089340"	251.98234	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"145064"	214.026458	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"583529"	301.558108	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1070954"	126.494808	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1100281"	253.996892	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1336052"	254.084507	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1006405"	258.123676	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1525758"	259.117308	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"996217"	129.565476	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1594001"	260.031928	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1424037"	290.063438	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1156509"	150.078751	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1703873"	307.089985	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1641711"	312.04538	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1586110"	328.01932	"C03230"	"(Indol-3-yl)glycolaldehyde;3-Indoleglycolaldehyde"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"812106"	893.1469	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M"	0
"988796"	874.12851	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H2O-H"	-19.01839
"76065"	594.423990666667	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-3H"	-3.021828
"513438"	892.139624	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-3H"	-3.021828
"893428"	296.708357333333	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-3H"	-3.021828
"6537"	892.139624	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H"	-2.014552
"449376"	1338.713074	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H"	-2.014552
"828274"	445.566174	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H"	-2.014552
"82067"	1785.286524	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-H"	-1.007276
"518710"	2678.433424	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-H"	-1.007276
"896391"	892.139624	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H"	-1.007276
"47143"	1802.313071	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+NH4"	16.019271
"487776"	2695.459971	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+NH4"	16.019271
"867528"	909.166171	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+NH4"	16.019271
"38713"	1807.268466	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+Na"	20.974666
"481555"	2700.415366	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+Na"	20.974666
"856076"	914.121566	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+Na"	20.974666
"1626701"	914.121566	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na-2H"	20.974666
"97761"	910.127963	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-H+Cl"	33.962126
"534889"	1356.701413	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-H+Cl"	33.962126
"928401"	463.554513	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+Cl"	33.962126
"271944"	1821.263202	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Cl"	34.969402
"660228"	2714.410102	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Cl"	34.969402
"1275311"	928.116302	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl"	34.969402
"18595"	1823.242406	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+K"	36.948606
"462899"	2716.389306	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+K"	36.948606
"837050"	930.095506	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+K"	36.948606
"1558722"	930.095506	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K-2H"	36.948606
"953172"	938.145094	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+HCOOH"	44.998194
"367013"	1831.292001	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+HCOOH-H"	44.998201
"349803"	1845.307651	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Hac-H"	59.013851
"1495354"	952.160751	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Hac-H"	59.013851
"969459"	960.127051	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+NaCOOH"	66.980151
"123474"	928.116302	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Cl"	69.938804
"564124"	1374.689752	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Cl"	69.938804
"1032197"	481.542852	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Cl"	69.938804
"1245216"	972.065785	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Br"	78.918885
"1308757"	974.121772	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+HCOOH"	80.974872
"1322973"	996.103729	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+NaCOOH"	102.956829
"918404"	1006.132486	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+CF3COOH"	112.985586
"1298394"	1042.109164	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+CF3COOH"	148.962264
"1374370"	858.134224	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H-2H2O"	-35.012676
"1391867"	876.1442	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H-H2O"	-17.0027
"292646"	1787.301076	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H"	1.007276
"691191"	2680.447976	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H"	1.007276
"1366526"	894.154176	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H"	1.007276
"141410"	894.154176	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2H"	2.014552
"581168"	1340.727626	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2H"	2.014552
"1052722"	447.580726	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2H"	2.014552
"219567"	596.438542666667	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+3H"	3.021828
"659570"	894.154176	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+3H"	3.021828
"1178419"	298.722909333333	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3H"	3.021828
"439877"	1804.327623	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+NH4"	18.033823
"801303"	2697.474523	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+NH4"	18.033823
"1696882"	911.180723	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4"	18.033823
"345281"	902.6674495	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+NH4"	19.041099
"738422"	1349.2408995	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+NH4"	19.041099
"1492596"	456.0939995	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+NH4"	19.041099
"406439"	1809.283018	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Na"	22.989218
"767069"	2702.429918	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Na"	22.989218
"1615533"	916.136118	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na"	22.989218
"319010"	905.145147	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+Na"	23.996494
"710337"	1351.718597	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+Na"	23.996494
"1464158"	458.571697	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+Na"	23.996494
"1054482"	306.050223333333	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2H+Na"	25.00377
"1263451"	926.180386	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+CH3OH+H"	33.033486
"378744"	1825.256958	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+K"	38.963158
"740470"	2718.403858	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+K"	38.963158
"1543988"	932.110058	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K"	38.963158
"305539"	913.132117	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+K"	39.970434
"702337"	1359.705567	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+K"	39.970434
"1458344"	466.558667	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+K"	39.970434
"244761"	1828.327626	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+ACN+H"	42.033826
"1212001"	935.180726	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+H"	42.033826
"1199165"	468.094001	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+2H"	43.041102
"196410"	1831.26496	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Na-H"	44.97116
"632322"	2724.41186	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Na-H"	44.97116
"1138382"	938.11806	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Na-H"	44.97116
"177666"	916.136118	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Na"	45.978436
"621237"	1362.709568	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Na"	45.978436
"1125835"	469.562668	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Na"	45.978436
"1411550"	313.377537333333	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+2Na"	46.985712
"1441478"	940.159646	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+HCOOH"	47.012746
"227538"	921.16914	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+3H2O+2H"	56.04448
"1516691"	954.21169	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+IsoProp+H"	61.06479
"416741"	924.123088	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Na+K"	61.952376
"774090"	1370.696538	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Na+K"	61.952376
"1674065"	477.549638	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+K"	61.952376
"257668"	1850.309568	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+ACN+Na"	64.015768
"1227457"	957.162668	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+Na"	64.015768
"1721084"	957.186193	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4+HCOOH"	64.039293
"1182428"	320.704851333333	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3Na"	68.967654
"1653412"	962.141588	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+HCOOH"	68.994688
"160641"	1863.21284	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2K-H"	76.91904
"600928"	2756.35974	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2K-H"	76.91904
"1089814"	970.06594	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K-H"	76.91904
"148454"	932.110058	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2K"	77.926316
"584735"	1378.683508	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2K"	77.926316
"1070092"	485.536608	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K"	77.926316
"1101121"	972.080492	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K+H"	78.933592
"1336283"	972.168107	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+DMSO+H"	79.021207
"1006759"	976.207276	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2ACN+H"	83.060376
"1525619"	977.200908	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+IsoProp+Na+H"	84.054008
"994138"	488.607276	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2ACN+2H"	84.067652
"1593018"	978.115528	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K+HCOOH"	84.968628
"1425240"	1008.147038	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+CF3COOH"	115.000138
"1156619"	509.120551	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3ACN+2H"	125.094202
"1703983"	1025.173585	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4+CF3COOH"	132.026685
"1641821"	1030.12898	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+CF3COOH"	136.98208
"1586220"	1046.10292	"C03231"	"3-Methylglutaconyl-CoA;trans-3-Methylglutaconyl-CoA;(E)-3-Methylglutaconyl-1-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K+CF3COOH"	152.95602
"812216"	183.9773	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M"	0
"989027"	164.95891	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-H2O-H"	-19.01839
"76175"	121.644257333333	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M-3H"	-3.021828
"517559"	182.970024	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M-3H"	-3.021828
"894632"	60.3184906666667	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-3H"	-3.021828
"8834"	182.970024	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M-2H"	-2.014552
"452768"	274.958674	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M-2H"	-2.014552
"825105"	90.981374	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-2H"	-2.014552
"80112"	366.947324	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M-H"	-1.007276
"520764"	550.924624	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M-H"	-1.007276
"896378"	182.970024	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-H"	-1.007276
"47473"	383.973871	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M-2H+NH4"	16.019271
"487434"	567.951171	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M-2H+NH4"	16.019271
"864550"	199.996571	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-2H+NH4"	16.019271
"36632"	388.929266	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M-2H+Na"	20.974666
"475100"	572.906566	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M-2H+Na"	20.974666
"858371"	204.951966	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-2H+Na"	20.974666
"1626812"	204.951966	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Na-2H"	20.974666
"94955"	200.958363	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M-H+Cl"	33.962126
"537066"	292.947013	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M-H+Cl"	33.962126
"928028"	108.969713	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-H+Cl"	33.962126
"270961"	402.924002	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+Cl"	34.969402
"664476"	586.901302	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+Cl"	34.969402
"1281984"	218.946702	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Cl"	34.969402
"20165"	404.903206	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M-2H+K"	36.948606
"463008"	588.880506	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M-2H+K"	36.948606
"839717"	220.925906	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-2H+K"	36.948606
"1558100"	220.925906	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+K-2H"	36.948606
"955470"	228.975494	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-H+HCOOH"	44.998194
"370405"	412.952801	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+HCOOH-H"	44.998201
"353195"	426.968451	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+Hac-H"	59.013851
"1495465"	242.991151	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Hac-H"	59.013851
"971756"	250.957451	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-H+NaCOOH"	66.980151
"124679"	218.946702	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+2Cl"	69.938804
"564356"	310.935352	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+2Cl"	69.938804
"1034494"	126.958052	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2Cl"	69.938804
"1248607"	262.896185	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Br"	78.918885
"1309962"	264.952172	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Cl+HCOOH"	80.974872
"1328552"	286.934129	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Cl+NaCOOH"	102.956829
"923983"	296.962886	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M-H+CF3COOH"	112.985586
"1297412"	332.939564	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Cl+CF3COOH"	148.962264
"1379948"	148.964624	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H-2H2O"	-35.012676
"1391977"	166.9746	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H-H2O"	-17.0027
"296037"	368.961876	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+H"	1.007276
"690613"	552.939176	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+H"	1.007276
"1365905"	184.984576	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H"	1.007276
"140987"	184.984576	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+2H"	2.014552
"580305"	276.973226	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+2H"	2.014552
"1051536"	92.995926	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2H"	2.014552
"219802"	123.658809333333	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+3H"	3.021828
"658996"	184.984576	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+3H"	3.021828
"1177848"	62.3330426666667	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+3H"	3.021828
"439300"	385.988423	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+NH4"	18.033823
"801307"	569.965723	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+NH4"	18.033823
"1697000"	202.011123	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+NH4"	18.033823
"344905"	193.4978495	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+H+NH4"	19.041099
"738057"	285.4864995	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+H+NH4"	19.041099
"1491757"	101.5091995	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H+NH4"	19.041099
"406551"	390.943818	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+Na"	22.989218
"766451"	574.921118	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+Na"	22.989218
"1609084"	206.966518	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Na"	22.989218
"321307"	195.975547	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+H+Na"	23.996494
"709354"	287.964197	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+H+Na"	23.996494
"1465363"	103.986897	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H+Na"	23.996494
"1057512"	69.6603566666667	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2H+Na"	25.00377
"1262468"	217.010786	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+CH3OH+H"	33.033486
"378977"	406.917758	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+K"	38.963158
"745320"	590.895058	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+K"	38.963158
"1543004"	222.940458	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+K"	38.963158
"303462"	203.962517	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+H+K"	39.970434
"699164"	295.951167	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+H+K"	39.970434
"1454081"	111.973867	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H+K"	39.970434
"244870"	409.988426	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+ACN+H"	42.033826
"1212111"	226.011126	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+ACN+H"	42.033826
"1199275"	113.509201	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+ACN+2H"	43.041102
"196520"	412.92576	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+2Na-H"	44.97116
"636079"	596.90306	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+2Na-H"	44.97116
"1146598"	228.94846	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2Na-H"	44.97116
"180692"	206.966518	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+2Na"	45.978436
"626812"	298.955168	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+2Na"	45.978436
"1127040"	114.977868	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2Na"	45.978436
"1412631"	76.9876706666667	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H+2Na"	46.985712
"1441588"	230.990046	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H+HCOOH"	47.012746
"229105"	211.99954	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+3H2O+2H"	56.04448
"1517167"	245.04209	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+IsoProp+H"	61.06479
"416852"	214.953488	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+Na+K"	61.952376
"780033"	306.942138	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+Na+K"	61.952376
"1674175"	122.964838	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Na+K"	61.952376
"257414"	431.970368	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+ACN+Na"	64.015768
"1226838"	247.993068	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+ACN+Na"	64.015768
"1720101"	248.016593	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+NH4+HCOOH"	64.039293
"1180714"	84.3149846666667	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+3Na"	68.967654
"1657534"	252.971988	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Na+HCOOH"	68.994688
"160384"	444.87364	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+2K-H"	76.91904
"598850"	628.85094	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+2K-H"	76.91904
"1089924"	260.89634	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2K-H"	76.91904
"147471"	222.940458	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"2M+2K"	77.926316
"583386"	314.929108	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"3M+2K"	77.926316
"1068786"	130.951808	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2K"	77.926316
"1101476"	262.910892	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2K+H"	78.933592
"1335714"	262.998507	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+DMSO+H"	79.021207
"1005730"	267.037676	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2ACN+H"	83.060376
"1524635"	268.031308	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+IsoProp+Na+H"	84.054008
"991331"	134.022476	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+2ACN+2H"	84.067652
"1590210"	268.945928	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+K+HCOOH"	84.968628
"1422067"	298.977438	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+H+CF3COOH"	115.000138
"1149074"	154.535751	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+3ACN+2H"	125.094202
"1701906"	316.003985	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+NH4+CF3COOH"	132.026685
"1641931"	320.95938	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+Na+CF3COOH"	136.98208
"1579769"	336.93332	"C03232"	"3-Phosphonooxypyruvate;3-Phosphonooxypyruvic acid;3-Phosphohydroxypyruvate;3-Phosphohydroxypyruvic acid"	"C3H5O7P"	"183.9773"	"M+K+CF3COOH"	152.95602
"810140"	198.0164	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M"	0
"986951"	178.99801	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H2O-H"	-19.01839
"76286"	131.003657333333	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-3H"	-3.021828
"514756"	197.009124	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-3H"	-3.021828
"890370"	64.9981906666667	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-3H"	-3.021828
"8947"	197.009124	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H"	-2.014552
"446320"	296.017324	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H"	-2.014552
"823028"	98.000924	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H"	-2.014552
"80223"	395.025524	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-H"	-1.007276
"519541"	593.041924	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-H"	-1.007276
"895877"	197.009124	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H"	-1.007276
"47214"	412.052071	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H+NH4"	16.019271
"487424"	610.068471	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H+NH4"	16.019271
"867018"	214.035671	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H+NH4"	16.019271
"40025"	417.007466	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H+Na"	20.974666
"477399"	615.023866	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H+Na"	20.974666
"856296"	218.991066	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H+Na"	20.974666
"1626923"	218.991066	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na-2H"	20.974666
"100169"	214.997463	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-H+Cl"	33.962126
"536447"	314.005663	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-H+Cl"	33.962126
"929963"	115.989263	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+Cl"	33.962126
"271801"	431.002202	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Cl"	34.969402
"664952"	629.018602	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+Cl"	34.969402
"1281000"	232.985802	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl"	34.969402
"21372"	432.981406	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M-2H+K"	36.948606
"465306"	630.997806	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M-2H+K"	36.948606
"838733"	234.965006	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-2H+K"	36.948606
"1557844"	234.965006	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K-2H"	36.948606
"957688"	243.014594	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+HCOOH"	44.998194
"373797"	441.031001	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+HCOOH-H"	44.998201
"355493"	455.046651	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Hac-H"	59.013851
"1506514"	257.030251	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Hac-H"	59.013851
"972964"	264.996551	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+NaCOOH"	66.980151
"122964"	232.985802	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2Cl"	69.938804
"561428"	331.994002	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2Cl"	69.938804
"1033510"	133.977602	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2Cl"	69.938804
"1248717"	276.935285	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Br"	78.918885
"1315540"	278.991272	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl+HCOOH"	80.974872
"1333403"	300.973229	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl+NaCOOH"	102.956829
"924093"	311.001986	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M-H+CF3COOH"	112.985586
"1298615"	346.978664	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Cl+CF3COOH"	148.962264
"1380058"	163.003724	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H-2H2O"	-35.012676
"1395004"	181.0137	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H-H2O"	-17.0027
"296148"	397.040076	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H"	1.007276
"689663"	595.056476	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H"	1.007276
"1366258"	199.023676	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H"	1.007276
"140485"	199.023676	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2H"	2.014552
"580294"	298.031876	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2H"	2.014552
"1051887"	100.015476	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2H"	2.014552
"219305"	133.018209333333	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+3H"	3.021828
"658622"	199.023676	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+3H"	3.021828
"1177476"	67.0127426666667	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+3H"	3.021828
"439170"	414.066623	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+NH4"	18.033823
"800408"	612.083023	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+NH4"	18.033823
"1696254"	216.050223	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+NH4"	18.033823
"345018"	207.5369495	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H+NH4"	19.041099
"737563"	306.5451495	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H+NH4"	19.041099
"1491865"	108.5287495	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+NH4"	19.041099
"402287"	419.022018	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Na"	22.989218
"765469"	617.038418	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+Na"	22.989218
"1609194"	221.005618	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na"	22.989218
"319230"	210.014647	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H+Na"	23.996494
"710558"	309.022847	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H+Na"	23.996494
"1465473"	111.006447	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+Na"	23.996494
"1055432"	74.3400566666667	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2H+Na"	25.00377
"1260393"	231.049886	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+CH3OH+H"	33.033486
"378965"	434.995958	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+K"	38.963158
"742149"	633.012358	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+K"	38.963158
"1546395"	236.979558	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K"	38.963158
"305759"	218.001617	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+H+K"	39.970434
"704745"	317.009817	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+H+K"	39.970434
"1455285"	118.993417	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+K"	39.970434
"248991"	438.066626	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+ACN+H"	42.033826
"1218783"	240.050226	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+ACN+H"	42.033826
"1199385"	120.528751	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+ACN+2H"	43.041102
"196630"	441.00396	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2Na-H"	44.97116
"636189"	639.02036	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2Na-H"	44.97116
"1146015"	242.98756	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2Na-H"	44.97116
"179709"	221.005618	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2Na"	45.978436
"624736"	320.013818	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2Na"	45.978436
"1124963"	121.997418	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2Na"	45.978436
"1408488"	81.6673706666667	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+2Na"	46.985712
"1439510"	245.029146	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+HCOOH"	47.012746
"232125"	226.03864	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+3H2O+2H"	56.04448
"1515089"	259.08119	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+IsoProp+H"	61.06479
"416962"	228.992588	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+Na+K"	61.952376
"777956"	328.000788	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+Na+K"	61.952376
"1672098"	129.984388	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na+K"	61.952376
"254973"	460.048568	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+ACN+Na"	64.015768
"1226583"	262.032168	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+ACN+Na"	64.015768
"1714377"	262.055693	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+NH4+HCOOH"	64.039293
"1178999"	88.9946846666667	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+3Na"	68.967654
"1650105"	267.011088	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na+HCOOH"	68.994688
"157146"	472.95184	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2K-H"	76.91904
"597624"	670.96824	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2K-H"	76.91904
"1085297"	274.93544	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2K-H"	76.91904
"146487"	236.979558	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"2M+2K"	77.926316
"583132"	335.987758	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"3M+2K"	77.926316
"1068650"	137.971358	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2K"	77.926316
"1100493"	276.949992	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2K+H"	78.933592
"1336377"	277.037607	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+DMSO+H"	79.021207
"1006377"	281.076776	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2ACN+H"	83.060376
"1524630"	282.070408	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+IsoProp+Na+H"	84.054008
"991078"	141.042026	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+2ACN+2H"	84.067652
"1589227"	282.985028	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K+HCOOH"	84.968628
"1418897"	313.016538	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+H+CF3COOH"	115.000138
"1149184"	161.555301	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+3ACN+2H"	125.094202
"1707484"	330.043085	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+NH4+CF3COOH"	132.026685
"1642041"	334.99848	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+Na+CF3COOH"	136.98208
"1579879"	350.97242	"C03233"	"45-Dihydroxyphthalate;45-Dihydroxyphthalic acid"	"C8H6O6"	"198.0164"	"M+K+CF3COOH"	152.95602
"816646"	168.0423	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M"	0
"989248"	149.02391	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"76397"	111.020924	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"517050"	167.035024	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"890477"	55.006824	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"13429"	167.035024	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"449710"	251.056174	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"825325"	83.013874	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"82037"	335.077324	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"520868"	503.119624	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"897576"	167.035024	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"52681"	352.103871	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"488102"	520.146171	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"868951"	184.061571	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"37948"	357.059266	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"477508"	525.101566	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"863333"	189.016966	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1632499"	189.016966	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"101372"	185.023363	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"536193"	269.044513	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"934447"	101.002213	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"274098"	371.054002	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"664334"	539.096302	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1280017"	203.011702	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"24762"	373.033206	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"468696"	541.075506	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"838843"	204.990906	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1557591"	204.990906	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"948029"	213.040494	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"369526"	381.082801	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"357790"	395.098451	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1504435"	227.056151	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"973645"	235.022451	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"124904"	203.011702	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"563725"	287.032852	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1036662"	118.990552	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1255387"	246.961185	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1318930"	249.017172	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1334364"	270.999129	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"924203"	281.027886	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1300912"	317.004564	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1380169"	133.029624	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1396570"	151.0396	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"297352"	337.091876	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"690743"	505.134176	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1366375"	169.049576	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"139751"	169.049576	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"580526"	253.070726	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1051755"	85.028426	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"219172"	113.035476	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"659775"	169.049576	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1178195"	57.021376	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"439644"	354.118423	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"801008"	522.160723	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1696247"	186.076123	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"345364"	177.5628495	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"738398"	261.5839995	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1491605"	93.5416995	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"406046"	359.073818	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"767041"	527.116118	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1614770"	191.031518	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"326996"	180.040547	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"713949"	264.061697	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1463761"	96.019397	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1064292"	64.34869	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1263784"	201.075786	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"384545"	375.047758	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"741530"	543.090058	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1545410"	207.005458	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"309152"	188.027517	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"701576"	272.048667	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1453208"	104.006367	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"245091"	378.118426	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1216706"	210.076126	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1196939"	105.541701	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"196740"	381.05576	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"634113"	549.09806	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1145153"	213.01346	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"179817"	191.031518	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"619378"	275.052668	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1126165"	107.010368	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1409692"	71.676004	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1442902"	215.055046	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"233329"	196.06454	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1517385"	229.10709	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"418895"	199.018488	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"779160"	283.039638	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1675489"	114.997338	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"259824"	400.100368	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1230707"	232.058068	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1721414"	232.081593	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1179192"	79.003318	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1653018"	237.036988	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"160244"	413.00364	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"600166"	581.04594	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1086502"	244.96134	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"147692"	207.005458	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"585065"	291.026608	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1068640"	122.984308	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1100109"	246.975892	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1335845"	247.063507	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1006245"	251.102676	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1525834"	252.096308	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"991188"	126.054976	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1594441"	253.010928	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1420100"	283.042438	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1153668"	146.568251	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1707594"	300.068985	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1645431"	305.02438	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1579989"	320.99832	"C03235"	"4-Hydroxypheoxyacetate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"807076"	867.1676	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M"	0
"987171"	848.14921	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H2O-H"	-19.01839
"73226"	577.104457333333	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-3H"	-3.021828
"512785"	866.160324	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-3H"	-3.021828
"887308"	288.048590666667	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-3H"	-3.021828
"1512"	866.160324	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H"	-2.014552
"443259"	1299.744124	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H"	-2.014552
"817283"	432.576524	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H"	-2.014552
"80443"	1733.327924	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-H"	-1.007276
"519390"	2600.495524	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-H"	-1.007276
"895892"	866.160324	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H"	-1.007276
"49512"	1750.354471	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+NH4"	16.019271
"490166"	2617.522071	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+NH4"	16.019271
"866996"	883.186871	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H+NH4"	16.019271
"41341"	1755.309866	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+Na"	20.974666
"483087"	2622.477466	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+Na"	20.974666
"862835"	888.142266	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H+Na"	20.974666
"1631516"	888.142266	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na-2H"	20.974666
"103670"	884.148663	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-H+Cl"	33.962126
"539950"	1317.732463	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-H+Cl"	33.962126
"931277"	450.564863	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+Cl"	33.962126
"273115"	1769.304602	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Cl"	34.969402
"667724"	2636.472202	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+Cl"	34.969402
"1280127"	902.137002	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl"	34.969402
"28152"	1771.283806	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+K"	36.948606
"468806"	2638.451406	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+K"	36.948606
"840045"	904.116206	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H+K"	36.948606
"1560256"	904.116206	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K-2H"	36.948606
"953607"	912.165794	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+HCOOH"	44.998194
"371827"	1779.333401	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+HCOOH-H"	44.998201
"355712"	1793.349051	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Hac-H"	59.013851
"1507463"	926.181451	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Hac-H"	59.013851
"974083"	934.147751	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+NaCOOH"	66.980151
"124275"	902.137002	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2Cl"	69.938804
"565300"	1335.720802	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2Cl"	69.938804
"1034826"	468.553202	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2Cl"	69.938804
"1255496"	946.086485	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Br"	78.918885
"1316850"	948.142472	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+HCOOH"	80.974872
"1328880"	970.124429	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+NaCOOH"	102.956829
"921031"	980.153186	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+CF3COOH"	112.985586
"1301025"	1016.129864	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+CF3COOH"	148.962264
"1374810"	832.154924	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H-2H2O"	-35.012676
"1395952"	850.1649	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H-H2O"	-17.0027
"295274"	1735.342476	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H"	1.007276
"689885"	2602.510076	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H"	1.007276
"1366842"	868.174876	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H"	1.007276
"141190"	868.174876	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2H"	2.014552
"580513"	1301.758676	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2H"	2.014552
"1051990"	434.591076	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2H"	2.014552
"218179"	579.119009333333	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+3H"	3.021828
"659848"	868.174876	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+3H"	3.021828
"1177201"	290.063142666667	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+3H"	3.021828
"439508"	1752.369023	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+NH4"	18.033823
"800866"	2619.536623	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+NH4"	18.033823
"1696547"	885.201423	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+NH4"	18.033823
"345235"	876.6881495	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H+NH4"	19.041099
"737896"	1310.2719495	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H+NH4"	19.041099
"1489297"	443.1043495	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+NH4"	19.041099
"406154"	1757.324418	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Na"	22.989218
"766782"	2624.492018	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+Na"	22.989218
"1609414"	890.156818	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na"	22.989218
"322731"	879.165847	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H+Na"	23.996494
"709685"	1312.749647	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H+Na"	23.996494
"1470063"	445.582047	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+Na"	23.996494
"1060029"	297.390456666667	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2H+Na"	25.00377
"1259521"	900.201086	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+CH3OH+H"	33.033486
"378216"	1773.298358	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+K"	38.963158
"744562"	2640.465958	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+K"	38.963158
"1549897"	906.130758	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K"	38.963158
"311448"	887.152817	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H+K"	39.970434
"701685"	1320.736617	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H+K"	39.970434
"1453317"	453.569017	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+K"	39.970434
"239731"	1776.369026	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+ACN+H"	42.033826
"1212076"	909.201426	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+H"	42.033826
"1202888"	455.104351	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+2H"	43.041102
"194664"	1779.30636	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2Na-H"	44.97116
"632765"	2646.47396	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2Na-H"	44.97116
"1143928"	912.13876	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2Na-H"	44.97116
"182115"	890.156818	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2Na"	45.978436
"622769"	1323.740618	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2Na"	45.978436
"1124090"	456.573018	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2Na"	45.978436
"1406520"	304.717770666667	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+2Na"	46.985712
"1441917"	914.180346	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+HCOOH"	47.012746
"231985"	895.18984	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+3H2O+2H"	56.04448
"1519683"	928.23239	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+IsoProp+H"	61.06479
"420100"	898.143788	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Na+K"	61.952376
"780366"	1331.727588	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+Na+K"	61.952376
"1675238"	464.559988	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na+K"	61.952376
"258840"	1798.350968	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+ACN+Na"	64.015768
"1231548"	931.183368	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+Na"	64.015768
"1715694"	931.206893	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+NH4+HCOOH"	64.039293
"1180316"	312.045084666667	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+3Na"	68.967654
"1655682"	936.162288	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na+HCOOH"	68.994688
"160356"	1811.25424	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2K-H"	76.91904
"602104"	2678.42184	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2K-H"	76.91904
"1085519"	944.08664	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2K-H"	76.91904
"142700"	906.130758	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2K"	77.926316
"581813"	1339.714558	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2K"	77.926316
"1070784"	472.546958	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2K"	77.926316
"1101929"	946.101192	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2K+H"	78.933592
"1342569"	946.188807	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+DMSO+H"	79.021207
"1018755"	950.227976	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2ACN+H"	83.060376
"1533600"	951.221608	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+IsoProp+Na+H"	84.054008
"1001142"	475.617626	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2ACN+2H"	84.067652
"1594551"	952.136228	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K+HCOOH"	84.968628
"1420210"	982.167738	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+CF3COOH"	115.000138
"1154871"	496.130901	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+3ACN+2H"	125.094202
"1702236"	999.194285	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+NH4+CF3COOH"	132.026685
"1645541"	1004.14968	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na+CF3COOH"	136.98208
"1586661"	1020.12362	"C03237"	"5-Hydroxypentanoyl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K+CF3COOH"	152.95602
"815934"	386.3549	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M"	0
"988374"	367.33651	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"74430"	256.562657333333	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"515083"	385.347624	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"891793"	127.777690666667	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"1986"	385.347624	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"444463"	578.525074	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"819348"	192.170174	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"81892"	771.702524	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"520723"	1158.057424	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"901809"	385.347624	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"50716"	788.729071	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"493923"	1175.083971	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"866134"	402.374171	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"43637"	793.684466	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"485752"	1180.039366	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"862094"	407.329566	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1631626"	407.329566	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"102687"	403.335963	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"545528"	596.513413	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"929201"	210.158513	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"269213"	807.679202	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"663459"	1194.034102	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1280236"	421.324302	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"26074"	809.658406	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"468918"	1196.013306	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"842342"	423.303506	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1559634"	423.303506	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"951530"	431.353094	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"371937"	817.708001	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"356553"	831.723651	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1507944"	445.368751	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"973909"	453.335051	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"125369"	421.324302	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"565495"	614.501752	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1035908"	228.146852	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1256703"	465.273785	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1316960"	467.329772	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1330084"	489.311729	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"923327"	499.340486	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1304010"	535.317164	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1374920"	351.342224	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1395333"	369.3522	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"295384"	773.717076	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"690726"	1160.071976	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1366350"	387.362176	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H"	1.007276
"141059"	387.362176	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"580503"	580.539626	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1052100"	194.184726	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"218410"	258.577209333333	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"659554"	387.362176	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1177677"	129.792242666667	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"439865"	790.743623	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"801227"	1177.098523	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1696867"	404.388723	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"345340"	395.8754495	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"737399"	589.0528995	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1491962"	202.6979995	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"406629"	795.699018	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"768354"	1182.053918	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1615722"	409.344118	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"323936"	398.353147	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"713078"	591.530597	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1475277"	205.175697	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1062327"	137.119556666667	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1261819"	419.388386	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"380028"	811.672958	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"747954"	1198.027858	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1551102"	425.318058	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+K"	38.963158
"310467"	406.340117	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"701796"	599.517567	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1456710"	213.162667	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"245311"	814.743626	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1220207"	428.388726	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1204091"	214.698001	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"192587"	817.68096	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"634334"	1204.03586	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1143309"	431.32606	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"178945"	409.344118	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"625069"	602.521568	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1128573"	216.166668	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1409910"	144.446870666667	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1442028"	433.367646	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"231730"	414.37714	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1520884"	447.41969	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"419479"	417.331088	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"778288"	610.508538	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1672431"	224.153638	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"255670"	836.725568	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1230565"	450.370668	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1718357"	450.394193	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1181886"	151.774184666667	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1655793"	455.349588	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"164840"	849.62884	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"605494"	1235.98374	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1085632"	463.27394	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"144635"	425.318058	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"584195"	618.495508	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1074176"	232.140608	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1104106"	465.288492	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1342679"	465.376107	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1018865"	469.415276	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1532616"	470.408908	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"1003438"	235.211276	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1594661"	471.323528	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1419227"	501.355038	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1153888"	255.724551	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1701253"	518.381585	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1645651"	523.33698	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1586771"	539.31092	"C03238"	"5alpha-Cholestan-3-one"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"807296"	145.0739	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M"	0
"983016"	126.05551	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-H2O-H"	-19.01839
"71259"	95.7086573333333	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M-3H"	-3.021828
"507538"	144.066624	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M-3H"	-3.021828
"885705"	47.3506906666667	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-3H"	-3.021828
"3190"	144.066624	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M-2H"	-2.014552
"447854"	216.603574	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M-2H"	-2.014552
"821646"	71.529674	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-2H"	-2.014552
"83461"	289.140524	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M-H"	-1.007276
"522291"	434.214424	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M-H"	-1.007276
"900097"	144.066624	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-H"	-1.007276
"51919"	306.167071	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M-2H+NH4"	16.019271
"492940"	451.240971	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M-2H+NH4"	16.019271
"865879"	161.093171	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-2H+NH4"	16.019271
"43748"	311.122466	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M-2H+Na"	20.974666
"486592"	456.196366	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M-2H+Na"	20.974666
"863461"	166.048566	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-2H+Na"	20.974666
"1629549"	166.048566	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Na-2H"	20.974666
"97693"	162.054963	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M-H+Cl"	33.962126
"540170"	234.591913	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M-H+Cl"	33.962126
"930404"	89.518013	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-H+Cl"	33.962126
"268231"	325.117202	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+Cl"	34.969402
"663568"	470.191102	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+Cl"	34.969402
"1275973"	180.043302	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Cl"	34.969402
"22904"	327.096406	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M-2H+K"	36.948606
"469028"	472.170306	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M-2H+K"	36.948606
"840266"	182.022506	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-2H+K"	36.948606
"1556828"	182.022506	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+K-2H"	36.948606
"951640"	190.072094	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-H+HCOOH"	44.998194
"373140"	335.146001	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+HCOOH-H"	44.998201
"357756"	349.161651	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+Hac-H"	59.013851
"1508438"	204.087751	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Hac-H"	59.013851
"974115"	212.054051	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-H+NaCOOH"	66.980151
"125517"	180.043302	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+2Cl"	69.938804
"565515"	252.580252	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+2Cl"	69.938804
"1036139"	107.506352	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2Cl"	69.938804
"1256570"	223.992785	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Br"	78.918885
"1319219"	226.048772	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Cl+HCOOH"	80.974872
"1329101"	248.030729	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Cl+NaCOOH"	102.956829
"925624"	258.059486	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M-H+CF3COOH"	112.985586
"1301245"	294.036164	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Cl+CF3COOH"	148.962264
"1375030"	110.061224	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H-2H2O"	-35.012676
"1394714"	128.0712	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H-H2O"	-17.0027
"296588"	291.155076	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+H"	1.007276
"691159"	436.228976	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+H"	1.007276
"1367006"	146.081176	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H"	1.007276
"141391"	146.081176	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+2H"	2.014552
"580612"	218.618126	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+2H"	2.014552
"1052088"	73.544226	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2H"	2.014552
"218520"	97.7232093333333	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+3H"	3.021828
"659298"	146.081176	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+3H"	3.021828
"1177786"	49.3652426666667	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+3H"	3.021828
"439116"	308.181623	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+NH4"	18.033823
"801130"	453.255523	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+NH4"	18.033823
"1696923"	163.107723	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+NH4"	18.033823
"344963"	154.5944495	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+H+NH4"	19.041099
"737143"	227.1313995	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+H+NH4"	19.041099
"1492073"	82.0574995	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H+NH4"	19.041099
"407713"	313.137018	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+Na"	22.989218
"765913"	458.210918	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+Na"	22.989218
"1614009"	168.063118	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Na"	22.989218
"320766"	157.072147	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+H+Na"	23.996494
"713188"	229.609097	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+H+Na"	23.996494
"1475749"	84.535197	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H+Na"	23.996494
"1063530"	56.6925566666667	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2H+Na"	25.00377
"1261929"	178.107386	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+CH3OH+H"	33.033486
"379410"	329.110958	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+K"	38.963158
"748064"	474.184858	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+K"	38.963158
"1551212"	184.037058	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+K"	38.963158
"312399"	165.059117	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+H+K"	39.970434
"703000"	237.596067	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+H+K"	39.970434
"1456819"	92.522167	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H+K"	39.970434
"245421"	332.181626	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+ACN+H"	42.033826
"1221410"	187.107726	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+ACN+H"	42.033826
"1206388"	94.057501	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+ACN+2H"	43.041102
"194884"	335.11896	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+2Na-H"	44.97116
"634444"	480.19286	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+2Na-H"	44.97116
"1144513"	190.04506	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2Na-H"	44.97116
"182335"	168.063118	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+2Na"	45.978436
"628055"	240.600068	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+2Na"	45.978436
"1127590"	95.526168	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2Na"	45.978436
"1410021"	64.0198706666667	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H+2Na"	46.985712
"1441044"	192.086646	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H+HCOOH"	47.012746
"234027"	173.09614	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+3H2O+2H"	56.04448
"1522820"	206.13869	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+IsoProp+H"	61.06479
"418496"	176.050088	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+Na+K"	61.952376
"779491"	248.587038	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+Na+K"	61.952376
"1671449"	103.513138	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Na+K"	61.952376
"260155"	354.163568	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+ACN+Na"	64.015768
"1232862"	209.089668	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+ACN+Na"	64.015768
"1717374"	209.113193	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+NH4+HCOOH"	64.039293
"1181268"	71.3471846666667	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+3Na"	68.967654
"1655903"	214.068588	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Na+HCOOH"	68.994688
"163857"	367.06684	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+2K-H"	76.91904
"606697"	512.14074	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+2K-H"	76.91904
"1086835"	221.99294	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2K-H"	76.91904
"148025"	184.037058	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"2M+2K"	77.926316
"584306"	256.574008	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"3M+2K"	77.926316
"1074286"	111.500108	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2K"	77.926316
"1104217"	224.007492	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2K+H"	78.933592
"1344976"	224.095107	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+DMSO+H"	79.021207
"1017881"	228.134276	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2ACN+H"	83.060376
"1531633"	229.127908	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+IsoProp+Na+H"	84.054008
"1003548"	114.570776	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+2ACN+2H"	84.067652
"1594771"	230.042528	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+K+HCOOH"	84.968628
"1419337"	260.074038	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+H+CF3COOH"	115.000138
"1153998"	135.084051	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+3ACN+2H"	125.094202
"1705736"	277.100585	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+NH4+CF3COOH"	132.026685
"1643574"	282.05598	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+Na+CF3COOH"	136.98208
"1586881"	298.02992	"C03239"	"6-Amino-2-oxohexanoate;2-Oxo-6-aminocaproate"	"C6H11NO3"	"145.0739"	"M+K+CF3COOH"	152.95602
"815061"	386.2668	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M"	0
"983126"	367.24841	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-H2O-H"	-19.01839
"71369"	256.503924	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M-3H"	-3.021828
"507648"	385.259524	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M-3H"	-3.021828
"885451"	127.748324	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-3H"	-3.021828
"4030"	385.259524	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M-2H"	-2.014552
"443590"	578.392924	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M-2H"	-2.014552
"817542"	192.126124	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-2H"	-2.014552
"83571"	771.526324	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M-H"	-1.007276
"520945"	1157.793124	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M-H"	-1.007276
"898018"	385.259524	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-H"	-1.007276
"50936"	788.552871	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M-2H+NH4"	16.019271
"487700"	1174.819671	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M-2H+NH4"	16.019271
"866109"	402.286071	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-2H+NH4"	16.019271
"31733"	793.508266	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M-2H+Na"	20.974666
"475762"	1179.775066	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M-2H+Na"	20.974666
"850283"	407.241466	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-2H+Na"	20.974666
"1625285"	407.241466	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Na-2H"	20.974666
"97439"	403.247863	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M-H+Cl"	33.962126
"538092"	596.381263	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M-H+Cl"	33.962126
"928328"	210.114463	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-H+Cl"	33.962126
"268705"	807.503002	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+Cl"	34.969402
"661854"	1193.769802	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+Cl"	34.969402
"1274625"	421.236202	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Cl"	34.969402
"19734"	809.482206	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M-2H+K"	36.948606
"465856"	1195.749006	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M-2H+K"	36.948606
"837097"	423.215406	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-2H+K"	36.948606
"1556211"	423.215406	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+K-2H"	36.948606
"951750"	431.264994	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-H+HCOOH"	44.998194
"368872"	817.531801	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+HCOOH-H"	44.998201
"353849"	831.547451	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+Hac-H"	59.013851
"1498307"	445.280651	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Hac-H"	59.013851
"973890"	453.246951	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-H+NaCOOH"	66.980151
"124854"	421.236202	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+2Cl"	69.938804
"565588"	614.369602	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+2Cl"	69.938804
"1035885"	228.102802	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2Cl"	69.938804
"1255827"	465.185685	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Br"	78.918885
"1313901"	467.241672	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Cl+HCOOH"	80.974872
"1329211"	489.223629	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Cl+NaCOOH"	102.956829
"923548"	499.252386	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M-H+CF3COOH"	112.985586
"1295884"	535.229064	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Cl+CF3COOH"	148.962264
"1375140"	351.254124	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H-2H2O"	-35.012676
"1390450"	369.2641	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H-H2O"	-17.0027
"296334"	773.540876	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+H"	1.007276
"691357"	1159.807676	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+H"	1.007276
"1365467"	387.274076	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H"	1.007276
"141141"	387.274076	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+2H"	2.014552
"581217"	580.407476	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+2H"	2.014552
"1052437"	194.140676	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2H"	2.014552
"216443"	258.518476	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+3H"	3.021828
"659164"	387.274076	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+3H"	3.021828
"1177654"	129.762876	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+3H"	3.021828
"438858"	790.567423	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+NH4"	18.033823
"800952"	1176.834223	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+NH4"	18.033823
"1695459"	404.300623	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+NH4"	18.033823
"344466"	395.7873495	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+H+NH4"	19.041099
"735431"	588.9207495	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+H+NH4"	19.041099
"1491086"	202.6539495	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H+NH4"	19.041099
"406119"	795.522818	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+Na"	22.989218
"767843"	1181.789618	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+Na"	22.989218
"1614119"	409.256018	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Na"	22.989218
"315893"	398.265047	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+H+Na"	23.996494
"708924"	591.398447	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+H+Na"	23.996494
"1473311"	205.131647	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H+Na"	23.996494
"1061454"	137.09019	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2H+Na"	25.00377
"1258150"	419.300286	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+CH3OH+H"	33.033486
"379520"	811.496758	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+K"	38.963158
"748174"	1197.763558	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+K"	38.963158
"1551322"	425.229958	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+K"	38.963158
"310686"	406.252017	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+H+K"	39.970434
"702015"	599.385417	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+H+K"	39.970434
"1458022"	213.118617	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H+K"	39.970434
"247718"	814.567426	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+ACN+H"	42.033826
"1218240"	428.300626	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+ACN+H"	42.033826
"1207591"	214.653951	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+ACN+2H"	43.041102
"198274"	817.50476	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+2Na-H"	44.97116
"634554"	1203.77156	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+2Na-H"	44.97116
"1144624"	431.23796	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2Na-H"	44.97116
"182446"	409.256018	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+2Na"	45.978436
"625289"	602.389418	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+2Na"	45.978436
"1128795"	216.122618	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2Na"	45.978436
"1410132"	144.417504	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H+2Na"	46.985712
"1441156"	433.279546	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H+HCOOH"	47.012746
"235693"	414.28904	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+3H2O+2H"	56.04448
"1523906"	447.33159	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+IsoProp+H"	61.06479
"418606"	417.242988	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+Na+K"	61.952376
"780694"	610.376388	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+Na+K"	61.952376
"1675932"	224.109588	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Na+K"	61.952376
"263181"	836.549368	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+ACN+Na"	64.015768
"1235159"	450.282568	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+ACN+Na"	64.015768
"1716390"	450.306093	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+NH4+HCOOH"	64.039293
"1180650"	151.744818	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+3Na"	68.967654
"1657107"	455.261488	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Na+HCOOH"	68.994688
"162874"	849.45264	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+2K-H"	76.91904
"604621"	1235.71944	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+2K-H"	76.91904
"1088038"	463.18584	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2K-H"	76.91904
"144856"	425.229958	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"2M+2K"	77.926316
"585509"	618.363358	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"3M+2K"	77.926316
"1075489"	232.096558	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2K"	77.926316
"1104327"	465.200392	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2K+H"	78.933592
"1346179"	465.288007	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+DMSO+H"	79.021207
"1017991"	469.327176	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2ACN+H"	83.060376
"1531743"	470.320808	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+IsoProp+Na+H"	84.054008
"1002565"	235.167226	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+2ACN+2H"	84.067652
"1594881"	471.235428	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+K+HCOOH"	84.968628
"1419447"	501.266938	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+H+CF3COOH"	115.000138
"1155201"	255.680501	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+3ACN+2H"	125.094202
"1704753"	518.293485	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+NH4+CF3COOH"	132.026685
"1642591"	523.24888	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+Na+CF3COOH"	136.98208
"1586991"	539.22282	"C03240"	"6-Deoxyerythronolide B"	"C21H38O6"	"386.2668"	"M+K+CF3COOH"	152.95602
"807516"	130.063	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M"	0
"983236"	111.04461	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"69292"	85.7013906666667	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"506665"	129.055724	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"886654"	42.3470573333333	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"3773"	129.055724	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"444793"	194.087224	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"817853"	64.024224	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"83681"	259.118724	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"523240"	389.181724	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"898126"	129.055724	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"50679"	276.145271	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"490968"	406.208271	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"865245"	146.082271	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"31639"	281.100666	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"476236"	411.163666	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"851120"	151.037666	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1626488"	151.037666	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"97548"	147.044063	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"538202"	212.075563	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"929526"	82.012563	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"267919"	295.095402	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"661232"	425.158402	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1274001"	165.032402	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"16355"	297.074606	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"458669"	427.137606	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"835014"	167.011606	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1556678"	167.011606	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"948580"	175.061194	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"366795"	305.124201	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"347397"	319.139851	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1493223"	189.076851	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"970703"	197.043151	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"122891"	165.032402	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"564643"	230.063902	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1035997"	100.000902	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1255572"	208.981885	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1318381"	211.037872	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1332597"	233.019829	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"922564"	243.048586	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1293807"	279.025264	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1375247"	95.050324	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1385092"	113.0603	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"292433"	261.133276	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"685949"	391.196276	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1361203"	131.070276	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H"	1.007276
"140170"	131.070276	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"580583"	196.101776	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1051813"	66.038776	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"218255"	87.7159426666667	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"658986"	131.070276	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1177514"	44.3616093333333	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"438847"	278.159823	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"801147"	408.222823	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1696054"	148.096823	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"345023"	139.5835495	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"737723"	204.6150495	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1490827"	74.5520495	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"406954"	283.115218	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"765034"	413.178218	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1613133"	153.052218	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"316611"	142.061247	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"711217"	207.092747	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1466128"	77.029747	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1057189"	51.6889233333333	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1258867"	163.096486	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"380723"	299.089158	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"741357"	429.152158	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1544869"	169.026158	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+K"	38.963158
"300220"	150.048217	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"693736"	215.079717	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1451570"	85.016717	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"241266"	302.159826	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1212878"	172.096826	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1203326"	86.552051	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"197291"	305.09716	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"633569"	435.16016	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1134525"	175.03416	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"180370"	153.052218	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"618837"	218.083718	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1121248"	88.020718	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1404772"	59.0162373333333	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1436890"	177.075746	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"226592"	158.08524	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1521216"	191.12779	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"414341"	161.039188	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"777522"	226.070688	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1673856"	96.007688	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"258185"	324.141768	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1234175"	194.078768	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1713947"	194.102293	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1178810"	66.3435513333333	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1653934"	199.057688	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"158604"	337.04504	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"600355"	467.10804	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1084409"	206.98204	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"141515"	169.026158	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"581844"	234.057658	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1070495"	103.994658	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1103342"	208.996592	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1340821"	209.084207	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1011540"	213.123376	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1531853"	214.117008	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1003647"	107.065326	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1594991"	215.031628	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1417003"	245.063138	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1154218"	127.578601	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1705956"	262.089685	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1640513"	267.04508	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1577260"	283.01902	"C03241"	"6-Hydroxyhexan-6-olide;6-Hydroxy-6-hexanolactone"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"807626"	306.2559	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M"	0
"982253"	287.23751	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"69402"	203.163324	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"506775"	305.248624	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"886764"	101.078024	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"9714"	305.248624	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"443807"	458.376574	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"823796"	152.120674	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"82695"	611.504524	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"519944"	917.760424	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"900060"	305.248624	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"49697"	628.531071	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"489134"	934.786971	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"865355"	322.275171	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"32163"	633.486466	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"474889"	939.742366	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"851228"	327.230566	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1621129"	327.230566	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"97658"	323.236963	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"538312"	476.364913	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"929271"	170.109013	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"270013"	647.481202	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"661341"	953.737102	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1274840"	341.225302	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"16908"	649.460406	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"458780"	955.716306	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"834393"	343.204506	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1556788"	343.204506	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"950877"	351.254094	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"363625"	657.510001	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"347507"	671.525651	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1493778"	365.269751	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"970813"	373.236051	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"123001"	341.225302	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"564997"	494.353252	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1033188"	188.097352	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1254589"	385.174785	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1317763"	387.230772	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1334288"	409.212729	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"921580"	419.241486	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1291001"	455.218164	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1375357"	271.243224	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1391760"	289.2532	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"287074"	613.519076	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"686059"	919.774976	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1355846"	307.263176	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"138945"	307.263176	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"579235"	460.391126	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1050223"	154.135226	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"218122"	205.177876	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"656950"	307.263176	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1176167"	103.092576	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"439081"	630.545623	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"801214"	936.801523	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1695679"	324.289723	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"345011"	315.7764495	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"737755"	468.9043995	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1489843"	162.6484995	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"403055"	635.501018	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"766235"	941.756918	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1613242"	329.245118	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"314529"	318.254147	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"709141"	471.382097	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1461867"	165.126197	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1056206"	110.41989	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1259341"	339.289386	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"378402"	651.474958	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"742195"	957.730858	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1543884"	345.219058	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"300330"	326.241117	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"694210"	479.369067	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1446935"	173.113167	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"241740"	654.545626	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1212988"	348.289726	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1201249"	174.648501	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"198494"	657.48296	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"633315"	963.73886	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1139375"	351.22706	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"182666"	329.245118	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"617853"	482.373068	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1123547"	176.117168	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1405976"	117.747204	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1435907"	353.268646	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"227796"	334.27814	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1516952"	367.32069	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"413357"	337.232088	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"773258"	490.360038	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1669591"	184.104138	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"253192"	676.527568	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1229911"	370.271668	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1714783"	370.295193	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1178674"	125.074518	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1654044"	375.250588	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"157662"	689.43084	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"599372"	995.68674	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1084519"	383.17494	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"143616"	345.219058	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"583542"	498.347008	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1069631"	192.091108	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1103452"	385.189492	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1340931"	385.277107	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1012743"	389.316276	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1530870"	390.309908	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"1002785"	195.161776	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1595101"	391.224528	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1417114"	421.256038	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1155422"	215.675051	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1708253"	438.282585	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1640623"	443.23798	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1577370"	459.21192	"C03242"	"(8Z11Z14Z)-Icosatrienoic acid;Dihomo-gamma-linolenic acid;(ZZZ)-81114-Eicosatrienoic acid;(ZZZ)-81114-Icosatrienoic acid;(ZZZ)-81114-Eicosatrienoate;(ZZZ)-81114-Icosatrienoate;81114-Eicosatrienoate;81114-Icosatrienoate"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"809922"	208.0524	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M"	0
"983456"	189.03401	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-H2O-H"	-19.01839
"69511"	137.694324	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M-3H"	-3.021828
"505424"	207.045124	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M-3H"	-3.021828
"883227"	68.343524	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-3H"	-3.021828
"9824"	207.045124	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M-2H"	-2.014552
"443917"	311.071324	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M-2H"	-2.014552
"823906"	103.018924	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-2H"	-2.014552
"81712"	415.097524	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M-H"	-1.007276
"519812"	623.149924	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M-H"	-1.007276
"897983"	207.045124	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-H"	-1.007276
"51265"	432.124071	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M-2H+NH4"	16.019271
"489001"	640.176471	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M-2H+NH4"	16.019271
"864490"	224.071671	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-2H+NH4"	16.019271
"32636"	437.079466	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M-2H+Na"	20.974666
"476092"	645.131866	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M-2H+Na"	20.974666
"851337"	229.027066	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-2H+Na"	20.974666
"1621604"	229.027066	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Na-2H"	20.974666
"97768"	225.033463	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M-H+Cl"	33.962126
"538786"	329.059663	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M-H+Cl"	33.962126
"930109"	121.007263	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-H+Cl"	33.962126
"269028"	451.074202	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+Cl"	34.969402
"661208"	659.126602	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+Cl"	34.969402
"1274950"	243.021802	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Cl"	34.969402
"16777"	453.053406	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M-2H+K"	36.948606
"458161"	661.105806	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M-2H+K"	36.948606
"834503"	245.001006	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-2H+K"	36.948606
"1556170"	245.001006	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+K-2H"	36.948606
"947707"	253.050594	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-H+HCOOH"	44.998194
"363735"	461.103001	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+HCOOH-H"	44.998201
"346521"	475.118651	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+Hac-H"	59.013851
"1493159"	267.066251	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Hac-H"	59.013851
"970923"	275.032551	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-H+NaCOOH"	66.980151
"120559"	243.021802	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+2Cl"	69.938804
"565470"	347.048002	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+2Cl"	69.938804
"1028924"	138.995602	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2Cl"	69.938804
"1256035"	286.971285	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Br"	78.918885
"1317873"	289.027272	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Cl+HCOOH"	80.974872
"1331724"	311.009229	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Cl+NaCOOH"	102.956829
"918410"	321.037986	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M-H+CF3COOH"	112.985586
"1291840"	357.014664	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Cl+CF3COOH"	148.962264
"1375467"	173.039724	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H-2H2O"	-35.012676
"1394057"	191.0497	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H-H2O"	-17.0027
"292651"	417.112076	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+H"	1.007276
"686169"	625.164476	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+H"	1.007276
"1359236"	209.059676	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H"	1.007276
"141200"	209.059676	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+2H"	2.014552
"580439"	313.085876	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+2H"	2.014552
"1052645"	105.033476	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2H"	2.014552
"219449"	139.708876	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+3H"	3.021828
"657424"	209.059676	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+3H"	3.021828
"1177862"	70.358076	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+3H"	3.021828
"439872"	434.138623	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+NH4"	18.033823
"801206"	642.191023	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+NH4"	18.033823
"1696032"	226.086223	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+NH4"	18.033823
"345561"	217.5729495	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+H+NH4"	19.041099
"736485"	321.5991495	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+H+NH4"	19.041099
"1489951"	113.5467495	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H+NH4"	19.041099
"406443"	439.094018	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+Na"	22.989218
"768532"	647.146418	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+Na"	22.989218
"1613352"	231.041618	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Na"	22.989218
"315126"	220.050647	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+H+Na"	23.996494
"708762"	324.076847	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+H+Na"	23.996494
"1465256"	116.024447	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H+Na"	23.996494
"1059595"	77.68539	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2H+Na"	25.00377
"1260544"	241.085886	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+CH3OH+H"	33.033486
"381306"	455.067958	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+K"	38.963158
"742306"	663.120358	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+K"	38.963158
"1545087"	247.015558	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+K"	38.963158
"300804"	228.037617	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+H+K"	39.970434
"695414"	332.063817	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+H+K"	39.970434
"1447167"	124.011417	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H+K"	39.970434
"242214"	458.138626	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+ACN+H"	42.033826
"1213827"	250.086226	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+ACN+H"	42.033826
"1200266"	125.546751	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+ACN+2H"	43.041102
"196417"	461.07596	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+2Na-H"	44.97116
"634518"	669.12836	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+2Na-H"	44.97116
"1138390"	253.02356	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2Na-H"	44.97116
"180589"	231.041618	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+2Na"	45.978436
"616504"	335.067818	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+2Na"	45.978436
"1124750"	127.015418	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2Na"	45.978436
"1406086"	85.012704	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H+2Na"	46.985712
"1439295"	255.065146	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H+HCOOH"	47.012746
"224626"	236.07464	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+3H2O+2H"	56.04448
"1517062"	269.11719	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+IsoProp+H"	61.06479
"412735"	239.028588	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+Na+K"	61.952376
"774458"	343.054788	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+Na+K"	61.952376
"1668238"	135.002388	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Na+K"	61.952376
"254390"	480.120568	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+ACN+Na"	64.015768
"1226283"	272.068168	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+ACN+Na"	64.015768
"1714893"	272.091693	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+NH4+HCOOH"	64.039293
"1179308"	92.340018	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+3Na"	68.967654
"1654154"	277.047088	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Na+HCOOH"	68.994688
"157647"	493.02384	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+2K-H"	76.91904
"600939"	701.07624	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+2K-H"	76.91904
"1084294"	284.97144	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2K-H"	76.91904
"144455"	247.015558	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"2M+2K"	77.926316
"584745"	351.041758	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"3M+2K"	77.926316
"1069863"	142.989358	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2K"	77.926316
"1104655"	286.985992	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2K+H"	78.933592
"1344320"	287.073607	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+DMSO+H"	79.021207
"1012853"	291.112776	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2ACN+H"	83.060376
"1530978"	292.106408	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+IsoProp+Na+H"	84.054008
"1001802"	146.060026	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+2ACN+2H"	84.067652
"1594118"	293.021028	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+K+HCOOH"	84.968628
"1415766"	323.052538	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+H+CF3COOH"	115.000138
"1155532"	166.573301	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+3ACN+2H"	125.094202
"1708363"	340.079085	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+NH4+CF3COOH"	132.026685
"1639640"	345.03448	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+Na+CF3COOH"	136.98208
"1577480"	361.00842	"C03243"	"910-Phenanthroquinone;910-Phenanthrenedione;Phenanthraquinone;Phenanthrenequinone"	"C14H8O2"	"208.0524"	"M+K+CF3COOH"	152.95602
"807846"	639.038	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M"	0
"986848"	620.01961	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-H2O-H"	-19.01839
"67435"	425.018057333333	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M-3H"	-3.021828
"505902"	638.030724	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M-3H"	-3.021828
"886986"	212.005390666667	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-3H"	-3.021828
"7749"	638.030724	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M-2H"	-2.014552
"445124"	957.549724	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M-2H"	-2.014552
"818305"	318.511724	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-2H"	-2.014552
"85100"	1277.068724	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M-H"	-1.007276
"522477"	1916.106724	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M-H"	-1.007276
"899184"	638.030724	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-H"	-1.007276
"48820"	1294.095271	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M-2H+NH4"	16.019271
"488259"	1933.133271	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M-2H+NH4"	16.019271
"864357"	655.057271	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-2H+NH4"	16.019271
"38830"	1299.050666	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M-2H+Na"	20.974666
"475107"	1938.088666	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M-2H+Na"	20.974666
"851088"	660.012666	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-2H+Na"	20.974666
"1620738"	660.012666	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Na-2H"	20.974666
"97148"	656.019063	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M-H+Cl"	33.962126
"537436"	975.538063	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M-H+Cl"	33.962126
"930221"	336.500063	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-H+Cl"	33.962126
"268167"	1313.045402	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+Cl"	34.969402
"660829"	1952.083402	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+Cl"	34.969402
"1275785"	674.007402	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Cl"	34.969402
"17977"	1315.024606	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M-2H+K"	36.948606
"457180"	1954.062606	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M-2H+K"	36.948606
"834609"	675.986606	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-2H+K"	36.948606
"1564310"	675.986606	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+K-2H"	36.948606
"944537"	684.036194	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-H+HCOOH"	44.998194
"362752"	1323.074201	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+HCOOH-H"	44.998201
"347361"	1337.089851	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+Hac-H"	59.013851
"1506410"	698.051851	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Hac-H"	59.013851
"971397"	706.018151	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-H+NaCOOH"	66.980151
"120669"	674.007402	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+2Cl"	69.938804
"555862"	993.526402	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+2Cl"	69.938804
"1029034"	354.488402	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2Cl"	69.938804
"1250798"	717.956885	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Br"	78.918885
"1316527"	720.012872	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Cl+HCOOH"	80.974872
"1329648"	741.994829	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Cl+NaCOOH"	102.956829
"921800"	752.023586	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M-H+CF3COOH"	112.985586
"1295230"	788.000264	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Cl+CF3COOH"	148.962264
"1370111"	604.025324	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H-2H2O"	-35.012676
"1386514"	622.0353	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H-H2O"	-17.0027
"286200"	1279.083276	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+H"	1.007276
"687008"	1918.121276	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+H"	1.007276
"1363720"	640.045276	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H"	1.007276
"140263"	640.045276	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+2H"	2.014552
"578363"	959.564276	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+2H"	2.014552
"1051905"	320.526276	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2H"	2.014552
"218952"	427.032609333333	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+3H"	3.021828
"659826"	640.045276	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+3H"	3.021828
"1177124"	214.019942666667	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+3H"	3.021828
"437111"	1296.109823	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+NH4"	18.033823
"800989"	1935.147823	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+NH4"	18.033823
"1692251"	657.071823	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+NH4"	18.033823
"341622"	648.5585495	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+H+NH4"	19.041099
"736606"	968.0775495	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+H+NH4"	19.041099
"1490429"	329.0395495	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H+NH4"	19.041099
"405461"	1301.065218	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+Na"	22.989218
"767549"	1940.103218	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+Na"	22.989218
"1611275"	662.027218	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Na"	22.989218
"315238"	651.036247	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+H+Na"	23.996494
"711546"	970.555247	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+H+Na"	23.996494
"1468646"	331.517247	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H+Na"	23.996494
"1060798"	221.347256666667	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2H+Na"	25.00377
"1263575"	672.071486	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+CH3OH+H"	33.033486
"384334"	1317.039158	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+K"	38.963158
"744603"	1956.077158	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+K"	38.963158
"1543372"	678.001158	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+K"	38.963158
"304558"	659.023217	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+H+K"	39.970434
"700266"	978.542217	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+H+K"	39.970434
"1450080"	339.504217	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H+K"	39.970434
"241962"	1320.109826	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+ACN+H"	42.033826
"1214304"	681.071826	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+ACN+H"	42.033826
"1200376"	341.039551	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+ACN+2H"	43.041102
"193613"	1323.04716	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+2Na-H"	44.97116
"629524"	1962.08516	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+2Na-H"	44.97116
"1137407"	684.00916	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2Na-H"	44.97116
"184709"	662.027218	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+2Na"	45.978436
"618438"	981.546218	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+2Na"	45.978436
"1121580"	342.508218	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2Na"	45.978436
"1406196"	228.674570666667	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H+2Na"	46.985712
"1438320"	686.050746	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H+HCOOH"	47.012746
"228014"	667.06024	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+3H2O+2H"	56.04448
"1513890"	700.10279	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+IsoProp+H"	61.06479
"412117"	670.014188	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+Na+K"	61.952376
"772381"	989.533188	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+Na+K"	61.952376
"1666520"	350.495188	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Na+K"	61.952376
"253038"	1342.091768	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+ACN+Na"	64.015768
"1228310"	703.053768	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+ACN+Na"	64.015768
"1714520"	703.077293	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+NH4+HCOOH"	64.039293
"1180725"	236.001884666667	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+3Na"	68.967654
"1653171"	708.032688	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Na+HCOOH"	68.994688
"161125"	1354.99504	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+2K-H"	76.91904
"603966"	1994.03304	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+2K-H"	76.91904
"1085437"	715.95704	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2K-H"	76.91904
"146388"	678.001158	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"2M+2K"	77.926316
"587042"	997.520158	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"3M+2K"	77.926316
"1077024"	358.482158	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2K"	77.926316
"1104765"	717.971592	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2K+H"	78.933592
"1343339"	718.059207	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+DMSO+H"	79.021207
"1012964"	722.098376	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2ACN+H"	83.060376
"1529995"	723.092008	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+IsoProp+Na+H"	84.054008
"1001913"	361.552826	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+2ACN+2H"	84.067652
"1596416"	724.006628	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+K+HCOOH"	84.968628
"1422073"	754.038138	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+H+CF3COOH"	115.000138
"1157829"	382.066101	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+3ACN+2H"	125.094202
"1708474"	771.064685	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+NH4+CF3COOH"	132.026685
"1643030"	776.02008	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+Na+CF3COOH"	136.98208
"1577590"	791.99402	"C03246"	"ADPribose 2-phosphate"	"C15H24N5O17P3"	"639.038"	"M+K+CF3COOH"	152.95602
"807956"	113.9953	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M"	0
"983676"	94.97691	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-H2O-H"	-19.01839
"68638"	74.9895906666667	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M-3H"	-3.021828
"506012"	112.988024	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M-3H"	-3.021828
"884910"	36.9911573333333	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-3H"	-3.021828
"6764"	112.988024	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M-2H"	-2.014552
"446328"	169.985674	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M-2H"	-2.014552
"821940"	55.990374	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-2H"	-2.014552
"83390"	226.983324	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M-H"	-1.007276
"526960"	340.978624	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M-H"	-1.007276
"900386"	112.988024	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-H"	-1.007276
"48928"	244.009871	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M-2H+NH4"	16.019271
"489948"	358.005171	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M-2H+NH4"	16.019271
"865319"	130.014571	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-2H+NH4"	16.019271
"34562"	248.965266	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M-2H+Na"	20.974666
"475217"	362.960566	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M-2H+Na"	20.974666
"851562"	134.969966	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-2H+Na"	20.974666
"1619390"	134.969966	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Na-2H"	20.974666
"96529"	130.976363	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M-H+Cl"	33.962126
"536089"	187.974013	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M-H+Cl"	33.962126
"927782"	73.978713	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-H+Cl"	33.962126
"268156"	262.960002	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+Cl"	34.969402
"662033"	376.955302	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+Cl"	34.969402
"1275166"	148.964702	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Cl"	34.969402
"17359"	264.939206	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M-2H+K"	36.948606
"456435"	378.934506	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M-2H+K"	36.948606
"833993"	150.943906	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-2H+K"	36.948606
"1561139"	150.943906	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+K-2H"	36.948606
"943063"	158.993494	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-H+HCOOH"	44.998194
"361458"	272.988801	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+HCOOH-H"	44.998201
"345693"	287.004451	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+Hac-H"	59.013851
"1508331"	173.009151	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Hac-H"	59.013851
"970414"	180.975451	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-H+NaCOOH"	66.980151
"120779"	148.964702	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+2Cl"	69.938804
"559252"	205.962352	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+2Cl"	69.938804
"1025864"	91.967052	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2Cl"	69.938804
"1252002"	192.914185	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Br"	78.918885
"1316637"	194.970172	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Cl+HCOOH"	80.974872
"1331944"	216.952129	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Cl+NaCOOH"	102.956829
"921910"	226.980886	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M-H+CF3COOH"	112.985586
"1293153"	262.957564	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Cl+CF3COOH"	148.962264
"1373501"	78.982624	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H-2H2O"	-35.012676
"1388811"	96.9926	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H-H2O"	-17.0027
"290684"	228.997876	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+H"	1.007276
"687482"	342.993176	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+H"	1.007276
"1363830"	115.002576	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H"	1.007276
"140372"	115.002576	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+2H"	2.014552
"578466"	172.000226	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+2H"	2.014552
"1050189"	58.004926	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2H"	2.014552
"216996"	77.0041426666667	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+3H"	3.021828
"658013"	115.002576	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+3H"	3.021828
"1176866"	39.0057093333333	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+3H"	3.021828
"433941"	246.024423	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+NH4"	18.033823
"799918"	360.019723	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+NH4"	18.033823
"1692361"	132.029123	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+NH4"	18.033823
"334442"	123.5158495	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+H+NH4"	19.041099
"734159"	180.5134995	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+H+NH4"	19.041099
"1488348"	66.5181995	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H+NH4"	19.041099
"405570"	250.979818	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+Na"	22.989218
"764377"	364.975118	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+Na"	22.989218
"1608104"	136.984518	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Na"	22.989218
"315592"	125.993547	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+H+Na"	23.996494
"707888"	182.991197	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+H+Na"	23.996494
"1468756"	68.995897	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H+Na"	23.996494
"1058721"	46.3330233333333	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2H+Na"	25.00377
"1263683"	147.028786	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+CH3OH+H"	33.033486
"383350"	266.953758	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+K"	38.963158
"743254"	380.949058	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+K"	38.963158
"1544211"	152.958458	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+K"	38.963158
"303575"	133.980517	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+H+K"	39.970434
"694908"	190.978167	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+H+K"	39.970434
"1449819"	76.982867	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H+K"	39.970434
"238061"	270.024426	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+ACN+H"	42.033826
"1213685"	156.029126	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+ACN+H"	42.033826
"1201579"	78.518201	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+ACN+2H"	43.041102
"193359"	272.96176	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+2Na-H"	44.97116
"629634"	386.95706	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+2Na-H"	44.97116
"1137518"	158.96646	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2Na-H"	44.97116
"178623"	136.984518	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+2Na"	45.978436
"618183"	193.982168	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+2Na"	45.978436
"1118409"	79.986868	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2Na"	45.978436
"1401932"	53.6603373333333	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H+2Na"	46.985712
"1431260"	161.008046	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H+HCOOH"	47.012746
"223385"	142.01754	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+3H2O+2H"	56.04448
"1511812"	175.06009	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+IsoProp+H"	61.06479
"411862"	144.971488	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+Na+K"	61.952376
"771027"	201.969138	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+Na+K"	61.952376
"1666385"	87.973838	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Na+K"	61.952376
"251848"	292.006368	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+ACN+Na"	64.015768
"1228418"	178.011068	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+ACN+Na"	64.015768
"1714388"	178.034593	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+NH4+HCOOH"	64.039293
"1180105"	60.9876513333333	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+3Na"	68.967654
"1650485"	182.989988	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Na+HCOOH"	68.994688
"159047"	304.90964	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+2K-H"	76.91904
"604076"	418.90494	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+2K-H"	76.91904
"1085305"	190.91434	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2K-H"	76.91904
"146498"	152.958458	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"2M+2K"	77.926316
"587152"	209.956108	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"3M+2K"	77.926316
"1078227"	95.960808	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2K"	77.926316
"1108155"	192.928892	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2K+H"	78.933592
"1343449"	193.016507	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+DMSO+H"	79.021207
"1015260"	197.055676	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2ACN+H"	83.060376
"1532291"	198.049308	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+IsoProp+Na+H"	84.054008
"995459"	99.031476	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+2ACN+2H"	84.067652
"1597619"	198.963928	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+K+HCOOH"	84.968628
"1421090"	228.995438	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+H+CF3COOH"	115.000138
"1160126"	119.544751	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+3ACN+2H"	125.094202
"1710772"	246.021985	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+NH4+CF3COOH"	132.026685
"1643140"	250.97738	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+Na+CF3COOH"	136.98208
"1577700"	266.95132	"C03248"	"Acetylenedicarboxylate;Acetylenedicarboxylic acid;2-Butynedioic acid"	"C4H2O4"	"113.9953"	"M+K+CF3COOH"	152.95602
"808066"	260.0297	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"985972"	241.01131	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"68747"	172.345857333333	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"510495"	259.022424	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"889393"	85.6692906666667	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"6874"	259.022424	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"449718"	389.037274	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"825329"	129.007574	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"85322"	519.052124	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"527069"	779.081824	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"903777"	259.022424	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"54143"	536.078671	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"490424"	796.108371	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"867860"	276.048971	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"36494"	541.034066	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"475688"	801.063766	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"853493"	281.004366	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1620109"	281.004366	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"96639"	277.010763	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"536563"	407.025613	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"928621"	146.995913	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"268997"	555.028802	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"662513"	815.058502	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1275645"	294.999102	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"17835"	557.008006	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"456305"	817.037706	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"833499"	296.978306	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1562342"	296.978306	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"945850"	305.027894	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"362970"	565.057601	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"346488"	579.073251	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1508271"	319.043551	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"971617"	327.009851	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"123075"	294.999102	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"556082"	425.013952	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1028161"	164.984252	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1248833"	338.948585	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1310186"	341.004572	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1329867"	362.986529	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"920928"	373.015286	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1292170"	408.991964	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1375799"	225.017024	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1390015"	243.027	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"296262"	521.066676	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"686499"	781.096376	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1363940"	261.036976	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"140475"	261.036976	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"578576"	391.051826	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1049932"	131.022126	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"217106"	174.360409333333	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"659344"	261.036976	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1177342"	87.6838426666667	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"438424"	538.093223	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"800516"	798.122923	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1689190"	278.063523	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"340748"	269.5502495	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"735362"	399.5650995	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1482625"	139.5353995	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"405315"	543.048618	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"763392"	803.078318	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1611495"	283.018918	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"318252"	272.027947	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"713952"	402.042797	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1466679"	142.013097	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1058831"	95.0111566666667	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1263793"	293.063186	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"382367"	559.022558	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"740811"	819.052258	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1542134"	298.992858	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"300769"	280.014917	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"695017"	410.029767	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1447743"	150.000067	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"239627"	562.093226	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1211973"	302.063526	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1201690"	151.535401	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"195656"	565.03056	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"629867"	825.06026	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1143096"	305.00086	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"183107"	283.018918	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"618294"	413.033768	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1123986"	153.004068	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1405322"	102.338470666667	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1431612"	307.042446	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"222402"	288.05194	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1511194"	321.09449	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"409177"	291.005888	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"770453"	421.020738	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1666740"	160.991038	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"252900"	584.075168	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1227434"	324.045468	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1715958"	324.068993	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1179850"	109.665784666667	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1651567"	329.024388	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"160252"	596.97844	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"600906"	857.00814	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1086144"	336.94874	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"146608"	298.992858	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"587262"	429.007708	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1078337"	168.978008	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1108265"	338.963292	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1344652"	339.050907	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1013184"	343.090076	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1531307"	344.083708	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"994476"	172.048676	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1598822"	344.998328	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1421200"	375.029838	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1154769"	192.561951	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1705413"	392.056385	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1639970"	397.01178	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1577810"	412.98572	"C03251"	"Aldohexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"808177"	395.2097	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M"	0
"979522"	376.19131	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-H2O-H"	-19.01839
"67764"	262.465857333333	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M-3H"	-3.021828
"505144"	394.202424	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M-3H"	-3.021828
"890598"	130.729290666667	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-3H"	-3.021828
"6985"	394.202424	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M-2H"	-2.014552
"447639"	591.807274	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M-2H"	-2.014552
"820335"	196.597574	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-2H"	-2.014552
"80690"	789.412124	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M-H"	-1.007276
"520618"	1184.621824	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M-H"	-1.007276
"898420"	394.202424	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-H"	-1.007276
"52793"	806.438671	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M-2H+NH4"	16.019271
"490536"	1201.648371	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M-2H+NH4"	16.019271
"870166"	411.228971	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-2H+NH4"	16.019271
"36970"	811.394066	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M-2H+Na"	20.974666
"475070"	1206.603766	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M-2H+Na"	20.974666
"849709"	416.184366	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-2H+Na"	20.974666
"1624962"	416.184366	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Na-2H"	20.974666
"98209"	412.190763	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M-H+Cl"	33.962126
"538865"	609.795613	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M-H+Cl"	33.962126
"927878"	214.585913	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-H+Cl"	33.962126
"269106"	825.388802	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+Cl"	34.969402
"661770"	1220.598502	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+Cl"	34.969402
"1275389"	430.179102	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Cl"	34.969402
"20506"	827.368006	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M-2H+K"	36.948606
"456906"	1222.577706	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M-2H+K"	36.948606
"842245"	432.158306	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-2H+K"	36.948606
"1562452"	432.158306	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+K-2H"	36.948606
"950334"	440.207894	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-H+HCOOH"	44.998194
"363444"	835.417601	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+HCOOH-H"	44.998201
"353529"	849.433251	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+Hac-H"	59.013851
"1506010"	454.223551	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Hac-H"	59.013851
"970997"	462.189851	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-H+NaCOOH"	66.980151
"123922"	430.179102	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+2Cl"	69.938804
"565508"	627.783952	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+2Cl"	69.938804
"1029364"	232.574252	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2Cl"	69.938804
"1255138"	474.128585	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Br"	78.918885
"1313576"	476.184572	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Cl+HCOOH"	80.974872
"1324513"	498.166529	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Cl+NaCOOH"	102.956829
"916666"	508.195286	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M-H+CF3COOH"	112.985586
"1294468"	544.171964	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Cl+CF3COOH"	148.962264
"1375909"	360.197024	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H-2H2O"	-35.012676
"1389033"	378.207	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H-H2O"	-17.0027
"294188"	791.426676	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+H"	1.007276
"684423"	1186.636376	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+H"	1.007276
"1365878"	396.216976	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H"	1.007276
"139497"	396.216976	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+2H"	2.014552
"579421"	593.821826	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+2H"	2.014552
"1047490"	198.612126	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2H"	2.014552
"218671"	264.480409333333	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+3H"	3.021828
"657870"	396.216976	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+3H"	3.021828
"1170890"	132.743842666667	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+3H"	3.021828
"431974"	808.453223	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+NH4"	18.033823
"796249"	1203.662923	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+NH4"	18.033823
"1691485"	413.243523	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+NH4"	18.033823
"341958"	404.7302495	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+H+NH4"	19.041099
"732193"	602.3350995	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+H+NH4"	19.041099
"1487107"	207.1253995	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H+NH4"	19.041099
"400320"	813.408618	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+Na"	22.989218
"761320"	1208.618318	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+Na"	22.989218
"1608325"	418.198918	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Na"	22.989218
"320548"	407.207947	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+H+Na"	23.996494
"711145"	604.812797	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+H+Na"	23.996494
"1465331"	209.603097	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H+Na"	23.996494
"1062952"	140.071156666667	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2H+Na"	25.00377
"1266090"	428.243186	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+CH3OH+H"	33.033486
"382480"	829.382558	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+K"	38.963158
"748940"	1224.592258	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+K"	38.963158
"1543339"	434.172858	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+K"	38.963158
"301608"	415.194917	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+H+K"	39.970434
"694398"	612.799767	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+H+K"	39.970434
"1449312"	217.590067	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H+K"	39.970434
"239737"	832.453226	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+ACN+H"	42.033826
"1213178"	437.243526	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+ACN+H"	42.033826
"1203986"	219.125401	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+ACN+2H"	43.041102
"192486"	835.39056	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+2Na-H"	44.97116
"632409"	1230.60026	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+2Na-H"	44.97116
"1139926"	440.18086	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2Na-H"	44.97116
"183217"	418.198918	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+2Na"	45.978436
"615124"	615.803768	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+2Na"	45.978436
"1118992"	220.594068	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2Na"	45.978436
"1404348"	147.398470666667	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H+2Na"	46.985712
"1434275"	442.222446	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H+HCOOH"	47.012746
"225065"	423.23194	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+3H2O+2H"	56.04448
"1514221"	456.27449	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+IsoProp+H"	61.06479
"409084"	426.185888	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+Na+K"	61.952376
"770075"	623.790738	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+Na+K"	61.952376
"1666487"	228.581038	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Na+K"	61.952376
"252160"	854.435168	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+ACN+Na"	64.015768
"1228272"	459.225468	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+ACN+Na"	64.015768
"1716065"	459.248993	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+NH4+HCOOH"	64.039293
"1179312"	154.725784666667	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+3Na"	68.967654
"1651313"	464.204388	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Na+HCOOH"	68.994688
"158536"	867.33844	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+2K-H"	76.91904
"598097"	1262.54814	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+2K-H"	76.91904
"1084551"	472.12874	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2K-H"	76.91904
"142341"	434.172858	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"2M+2K"	77.926316
"590657"	631.777708	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"3M+2K"	77.926316
"1078447"	236.568008	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2K"	77.926316
"1110565"	474.143292	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2K+H"	78.933592
"1350843"	474.230907	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+DMSO+H"	79.021207
"1015480"	478.270076	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2ACN+H"	83.060376
"1532511"	479.263708	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+IsoProp+Na+H"	84.054008
"996772"	239.638676	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+2ACN+2H"	84.067652
"1596744"	480.178328	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+K+HCOOH"	84.968628
"1424590"	510.209838	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+H+CF3COOH"	115.000138
"1158159"	260.151951	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+3ACN+2H"	125.094202
"1697868"	527.236385	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+NH4+CF3COOH"	132.026685
"1643362"	532.19178	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+Na+CF3COOH"	136.98208
"1579015"	548.16572	"C03256"	"Cetraxate benzyl ester"	"C24H29NO4"	"395.2097"	"M+K+CF3COOH"	152.95602
"808289"	660.3159	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M"	0
"985105"	641.29751	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-H2O-H"	-19.01839
"70067"	439.203324	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M-3H"	-3.021828
"514000"	659.308624	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M-3H"	-3.021828
"884147"	219.098024	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-3H"	-3.021828
"8189"	659.308624	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M-2H"	-2.014552
"446656"	989.466574	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M-2H"	-2.014552
"820084"	329.150674	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-2H"	-2.014552
"80804"	1319.624524	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M-H"	-1.007276
"521095"	1979.940424	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M-H"	-1.007276
"905099"	659.308624	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-H"	-1.007276
"55100"	1336.651071	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M-2H+NH4"	16.019271
"494659"	1996.966971	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M-2H+NH4"	16.019271
"870636"	676.335171	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-2H+NH4"	16.019271
"37444"	1341.606466	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M-2H+Na"	20.974666
"473599"	2001.922366	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M-2H+Na"	20.974666
"852981"	681.290566	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-2H+Na"	20.974666
"1622884"	681.290566	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Na-2H"	20.974666
"99043"	677.296963	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M-H+Cl"	33.962126
"538240"	1007.454913	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M-H+Cl"	33.962126
"931026"	347.139013	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-H+Cl"	33.962126
"269582"	1355.601202	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+Cl"	34.969402
"661400"	2015.917102	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+Cl"	34.969402
"1281341"	695.285302	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Cl"	34.969402
"18429"	1357.580406	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M-2H+K"	36.948606
"461269"	2017.896306	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M-2H+K"	36.948606
"836155"	697.264506	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-2H+K"	36.948606
"1559281"	697.264506	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+K-2H"	36.948606
"944977"	705.314094	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-H+HCOOH"	44.998194
"364285"	1365.630001	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+HCOOH-H"	44.998201
"359840"	1379.645651	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+Hac-H"	59.013851
"1500294"	719.329751	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Hac-H"	59.013851
"971114"	727.296051	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-H+NaCOOH"	66.980151
"125451"	695.285302	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+2Cl"	69.938804
"558489"	1025.443252	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+2Cl"	69.938804
"1032754"	365.127352	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2Cl"	69.938804
"1247959"	739.234785	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Br"	78.918885
"1312594"	741.290772	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Cl+HCOOH"	80.974872
"1328996"	763.272729	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Cl+NaCOOH"	102.956829
"918961"	773.301486	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M-H+CF3COOH"	112.985586
"1296763"	809.278164	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Cl+CF3COOH"	148.962264
"1380033"	625.303224	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H-2H2O"	-35.012676
"1396437"	643.3132	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H-H2O"	-17.0027
"297215"	1321.639076	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+H"	1.007276
"684536"	1981.954976	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+H"	1.007276
"1364891"	661.323176	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H"	1.007276
"134867"	661.323176	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+2H"	2.014552
"572240"	991.481126	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+2H"	2.014552
"1047600"	331.165226	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2H"	2.014552
"212220"	441.217876	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+3H"	3.021828
"653966"	661.323176	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+3H"	3.021828
"1170998"	221.112576	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+3H"	3.021828
"434269"	1338.665623	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+NH4"	18.033823
"793086"	1998.981523	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+NH4"	18.033823
"1689416"	678.349723	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+NH4"	18.033823
"335510"	669.8364495	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+H+NH4"	19.041099
"730117"	999.9943995	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+H+NH4"	19.041099
"1481756"	339.6784995	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H+NH4"	19.041099
"396425"	1343.621018	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+Na"	22.989218
"761430"	2003.936918	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+Na"	22.989218
"1606612"	683.305118	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Na"	22.989218
"318472"	672.314147	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+H+Na"	23.996494
"709803"	1002.472097	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+H+Na"	23.996494
"1465809"	342.156197	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H+Na"	23.996494
"1054682"	228.43989	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2H+Na"	25.00377
"1264743"	693.349386	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+CH3OH+H"	33.033486
"381498"	1359.594958	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+K"	38.963158
"744677"	2019.910858	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+K"	38.963158
"1544548"	699.279058	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+K"	38.963158
"300265"	680.301117	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+H+K"	39.970434
"694509"	1010.459067	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+H+K"	39.970434
"1446506"	350.143167	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H+K"	39.970434
"244225"	1362.665626	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+ACN+H"	42.033826
"1218027"	702.349726	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+ACN+H"	42.033826
"1201910"	351.678501	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+ACN+2H"	43.041102
"199157"	1365.60296	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+2Na-H"	44.97116
"639810"	2025.91886	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+2Na-H"	44.97116
"1142224"	705.28706	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2Na-H"	44.97116
"177863"	683.305118	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+2Na"	45.978436
"622534"	1013.463068	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+2Na"	45.978436
"1124215"	353.147168	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2Na"	45.978436
"1407739"	235.767204	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H+2Na"	46.985712
"1437666"	707.328646	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H+HCOOH"	47.012746
"229551"	688.33814	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+3H2O+2H"	56.04448
"1511050"	721.38069	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+IsoProp+H"	61.06479
"409764"	691.292088	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+Na+K"	61.952376
"773920"	1021.450038	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+Na+K"	61.952376
"1666358"	361.134138	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Na+K"	61.952376
"253487"	1384.647568	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+ACN+Na"	64.015768
"1228382"	724.331668	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+ACN+Na"	64.015768
"1718362"	724.355193	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+NH4+HCOOH"	64.039293
"1179706"	243.094518	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+3Na"	68.967654
"1654704"	729.310588	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Na+HCOOH"	68.994688
"159378"	1397.55084	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+2K-H"	76.91904
"607690"	2057.86674	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+2K-H"	76.91904
"1098525"	737.23494	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2K-H"	76.91904
"152301"	699.279058	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"2M+2K"	77.926316
"592954"	1029.437008	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"3M+2K"	77.926316
"1080749"	369.121108	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2K"	77.926316
"1110676"	739.249492	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2K+H"	78.933592
"1350709"	739.337107	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+DMSO+H"	79.021207
"1019964"	743.376276	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2ACN+H"	83.060376
"1538459"	744.369908	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+IsoProp+Na+H"	84.054008
"1003446"	372.191776	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+2ACN+2H"	84.067652
"1597949"	745.284528	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+K+HCOOH"	84.968628
"1426889"	775.316038	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+H+CF3COOH"	115.000138
"1153897"	392.705051	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+3ACN+2H"	125.094202
"1703450"	792.342585	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+NH4+CF3COOH"	132.026685
"1646757"	797.29798	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+Na+CF3COOH"	136.98208
"1578034"	813.27192	"C03263"	"Coproporphyrinogen III"	"C36H44N4O8"	"660.3159"	"M+K+CF3COOH"	152.95602
"813867"	132.0786	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M"	0
"980842"	113.06021	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-H2O-H"	-19.01839
"63857"	87.045124	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M-3H"	-3.021828
"508643"	131.071324	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M-3H"	-3.021828
"881704"	43.018924	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-3H"	-3.021828
"5019"	131.071324	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M-2H"	-2.014552
"443484"	197.110624	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M-2H"	-2.014552
"821288"	65.032024	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-2H"	-2.014552
"80549"	263.149924	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M-H"	-1.007276
"521935"	395.228524	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M-H"	-1.007276
"905209"	131.071324	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-H"	-1.007276
"55210"	280.176471	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M-2H+NH4"	16.019271
"493676"	412.255071	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M-2H+NH4"	16.019271
"867465"	148.097871	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-2H+NH4"	16.019271
"36825"	285.131866	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M-2H+Na"	20.974666
"472858"	417.210466	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M-2H+Na"	20.974666
"850904"	153.053266	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-2H+Na"	20.974666
"1622992"	153.053266	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Na-2H"	20.974666
"97330"	149.059663	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M-H+Cl"	33.962126
"535919"	215.098963	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M-H+Cl"	33.962126
"928340"	83.020363	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-H+Cl"	33.962126
"268597"	299.126602	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+Cl"	34.969402
"663575"	431.205202	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+Cl"	34.969402
"1282544"	167.048002	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Cl"	34.969402
"19996"	301.105806	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M-2H+K"	36.948606
"461379"	433.184406	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M-2H+K"	36.948606
"836994"	169.027206	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-2H+K"	36.948606
"1559391"	169.027206	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+K-2H"	36.948606
"944357"	177.076794	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-H+HCOOH"	44.998194
"364395"	309.155401	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+HCOOH-H"	44.998201
"361387"	323.171051	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+Hac-H"	59.013851
"1500404"	191.092451	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Hac-H"	59.013851
"970130"	199.058751	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-H+NaCOOH"	66.980151
"125603"	167.048002	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+2Cl"	69.938804
"554224"	233.087302	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+2Cl"	69.938804
"1030677"	101.008702	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2Cl"	69.938804
"1253535"	210.997485	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Br"	78.918885
"1310517"	213.053472	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Cl+HCOOH"	80.974872
"1324732"	235.035429	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Cl+NaCOOH"	102.956829
"914698"	245.064186	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M-H+CF3COOH"	112.985586
"1295780"	281.040864	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Cl+CF3COOH"	148.962264
"1377227"	97.065924	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H-2H2O"	-35.012676
"1396545"	115.0759	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H-H2O"	-17.0027
"295138"	265.164476	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+H"	1.007276
"688291"	397.243076	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+H"	1.007276
"1363179"	133.085876	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H"	1.007276
"138985"	133.085876	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+2H"	2.014552
"578545"	199.125176	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+2H"	2.014552
"1044430"	67.046576	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2H"	2.014552
"210142"	89.059676	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+3H"	3.021828
"651889"	133.085876	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+3H"	3.021828
"1170014"	45.033476	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+3H"	3.021828
"431099"	282.191023	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+NH4"	18.033823
"791009"	414.269623	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+NH4"	18.033823
"1686246"	150.112423	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+NH4"	18.033823
"333066"	141.5991495	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+H+NH4"	19.041099
"726946"	207.6384495	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+H+NH4"	19.041099
"1480407"	75.5598495	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H+NH4"	19.041099
"395076"	287.146418	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+Na"	22.989218
"759353"	419.225018	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+Na"	22.989218
"1607452"	155.067818	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Na"	22.989218
"317123"	144.076847	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+H+Na"	23.996494
"709914"	210.116147	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+H+Na"	23.996494
"1465920"	78.037547	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H+Na"	23.996494
"1056980"	52.36079	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2H+Na"	25.00377
"1263032"	165.112086	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+CH3OH+H"	33.033486
"383793"	303.120358	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+K"	38.963158
"744786"	435.198958	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+K"	38.963158
"1546844"	171.041758	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+K"	38.963158
"301834"	152.063817	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+H+K"	39.970434
"697535"	218.103117	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+H+K"	39.970434
"1449533"	86.024517	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H+K"	39.970434
"238132"	306.191026	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+ACN+H"	42.033826
"1218137"	174.112426	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+ACN+H"	42.033826
"1202020"	87.559851	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+ACN+2H"	43.041102
"200360"	309.12836	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+2Na-H"	44.97116
"641013"	441.20696	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+2Na-H"	44.97116
"1142334"	177.04976	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2Na-H"	44.97116
"173962"	155.067818	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+2Na"	45.978436
"623006"	221.107118	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+2Na"	45.978436
"1125419"	89.028518	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2Na"	45.978436
"1408942"	59.688104	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H+2Na"	46.985712
"1437776"	179.091346	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H+HCOOH"	47.012746
"231847"	160.10084	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+3H2O+2H"	56.04448
"1511160"	193.14339	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+IsoProp+H"	61.06479
"409753"	163.054788	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+Na+K"	61.952376
"774030"	229.094088	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+Na+K"	61.952376
"1667806"	97.015488	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Na+K"	61.952376
"255783"	328.172968	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+ACN+Na"	64.015768
"1228492"	196.094368	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+ACN+Na"	64.015768
"1719565"	196.117893	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+NH4+HCOOH"	64.039293
"1180545"	67.015418	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+3Na"	68.967654
"1654814"	201.073288	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Na+HCOOH"	68.994688
"160580"	341.07624	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+2K-H"	76.91904
"608893"	473.15484	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+2K-H"	76.91904
"1098636"	208.99764	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2K-H"	76.91904
"152411"	171.041758	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"2M+2K"	77.926316
"591970"	237.081058	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"3M+2K"	77.926316
"1080859"	105.002458	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2K"	77.926316
"1108600"	211.012192	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2K+H"	78.933592
"1348265"	211.099807	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+DMSO+H"	79.021207
"1016794"	215.138976	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2ACN+H"	83.060376
"1538205"	216.132608	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+IsoProp+Na+H"	84.054008
"1003556"	108.073126	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+2ACN+2H"	84.067652
"1595872"	217.047228	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+K+HCOOH"	84.968628
"1426999"	247.078738	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+H+CF3COOH"	115.000138
"1152914"	128.586401	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+3ACN+2H"	125.094202
"1712308"	264.105285	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+NH4+CF3COOH"	132.026685
"1643587"	269.06068	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+Na+CF3COOH"	136.98208
"1578144"	285.03462	"C03264"	"D-2-Hydroxyisocaproate"	"C6H12O3"	"132.0786"	"M+K+CF3COOH"	152.95602
"807416"	260.0297	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"982045"	241.01131	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"64332"	172.345857333333	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"508753"	259.022424	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"880356"	85.6692906666667	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"3307"	259.022424	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"440434"	389.037274	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"818847"	129.007574	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"79930"	519.052124	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"520223"	779.081824	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"905319"	259.022424	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"54227"	536.078671	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"492693"	796.108371	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"867211"	276.048971	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"35112"	541.034066	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"471624"	801.063766	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"848662"	281.004366	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1622738"	281.004366	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"94889"	277.010763	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"536638"	407.025613	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"927185"	146.995913	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"275635"	555.028802	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"663682"	815.058502	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1273167"	294.999102	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"17544"	557.008006	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"456747"	817.037706	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"834542"	296.978306	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1556087"	296.978306	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"945195"	305.027894	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"366693"	565.057601	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"360547"	579.073251	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1504516"	319.043551	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"974018"	327.009851	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"125433"	294.999102	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"558709"	425.013952	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1035161"	164.984252	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1253281"	338.948585	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1313907"	341.004572	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1324842"	362.986529	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"915901"	373.015286	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1295890"	408.991964	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1379889"	225.017024	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1396293"	243.027	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"293424"	521.066676	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"689861"	781.096376	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1363289"	261.036976	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"138731"	261.036976	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"578291"	391.051826	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1045633"	131.022126	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"211344"	174.360409333333	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"653092"	261.036976	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1169031"	87.6838426666667	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"431210"	538.093223	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"793306"	798.122923	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1684168"	278.063523	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"335729"	269.5502495	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"729242"	399.5650995	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1482702"	139.5353995	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"396277"	543.048618	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"756546"	803.078318	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1609749"	283.018918	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"318692"	272.027947	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"710024"	402.042797	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1466030"	142.013097	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1057091"	95.0111566666667	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1264236"	293.063186	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"382810"	559.022558	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"741981"	819.052258	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1546225"	298.992858	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"300120"	280.014917	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"695459"	410.029767	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1447457"	150.000067	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"237512"	562.093226	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1218247"	302.063526	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1202130"	151.535401	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"202657"	565.03056	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"640030"	825.06026	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1143538"	305.00086	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"176989"	283.018918	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"619106"	413.033768	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1123341"	153.004068	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1407958"	102.338470666667	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1434606"	307.042446	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"225395"	288.05194	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1509811"	321.09449	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"412050"	291.005888	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"775233"	421.020738	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1670831"	160.991038	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"258444"	584.075168	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1229330"	324.045468	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1720768"	324.068993	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1182112"	109.665784666667	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1658203"	329.024388	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"161783"	596.97844	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"609003"	857.00814	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1098989"	336.94874	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"152521"	298.992858	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"592080"	429.007708	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1082062"	168.978008	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1110897"	338.963292	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1347282"	339.050907	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1016904"	343.090076	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1537218"	344.083708	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"998198"	172.048676	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1595982"	344.998328	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1422734"	375.029838	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1153024"	192.561951	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1712054"	392.056385	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1643697"	397.01178	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1578254"	412.98572	"C03267"	"beta-D-Fructose 2-phosphate;beta-D-Fructofuranose 2-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"807527"	178.0477	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M"	0
"977783"	159.02931	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"62869"	117.691190666667	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"502833"	177.040424	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"879999"	58.3419573333333	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"21"	177.040424	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"441520"	266.064274	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"819688"	88.016574	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"82229"	355.088124	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"518995"	533.135824	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"906525"	177.040424	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"55432"	372.114671	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"494991"	550.162371	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"871700"	194.066971	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"35589"	377.070066	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"474056"	555.117766	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"849669"	199.022366	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1621028"	199.022366	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"95120"	195.028763	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"535651"	284.052613	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"931722"	106.004913	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"275745"	391.064802	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"662334"	569.112502	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1274491"	213.017102	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"16685"	393.044006	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"456857"	571.091706	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"833077"	214.996306	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1558513"	214.996306	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"950772"	223.045894	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"363523"	401.093601	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"346554"	415.109251	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1507426"	237.061551	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"973520"	245.027851	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"120353"	213.017102	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"557725"	302.040952	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1028711"	123.993252	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1251571"	256.966585	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1309644"	259.022572	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1328235"	281.004529	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"921479"	291.033286	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1294907"	327.009964	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1378176"	143.035024	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1394217"	161.045	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"296091"	357.102676	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"688149"	535.150376	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1363400"	179.054976	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"137384"	179.054976	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"574757"	268.078826	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1045743"	90.031126	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"210365"	119.705742666667	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"652110"	179.054976	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1169141"	60.3565093333333	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"431328"	374.129223	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"793416"	552.176923	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1689748"	196.081523	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"335840"	187.5682495	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"732635"	276.5920995	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1480626"	98.5443995	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"395294"	379.084618	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"754832"	557.132318	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1607673"	201.036918	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"319896"	190.045947	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"711228"	279.069797	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1465049"	101.022097	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1058294"	67.6838233333333	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1259972"	211.081186	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"380735"	395.058558	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"739663"	573.106258	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1544149"	217.010858	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"302056"	198.032917	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"693381"	287.056767	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1447204"	109.009067	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"236897"	398.129226	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1223827"	220.081526	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1204429"	110.544401	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"194019"	401.06656	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"633580"	579.11426	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1137088"	223.01886	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"183667"	201.036918	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"622134"	290.060768	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1125639"	112.013068	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1405882"	75.0111373333333	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1437998"	225.060446	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"225506"	206.06994	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1517942"	239.11249	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"415441"	209.023888	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"775344"	298.047738	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1668758"	120.000038	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"258191"	420.111168	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1234181"	242.063468	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1717962"	242.086993	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1182223"	82.3384513333333	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1654303"	247.042388	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"164081"	433.01444	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"610206"	611.06214	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1095815"	254.96674	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"152631"	217.010858	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"594379"	306.034708	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1083838"	127.987008	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1114048"	256.981292	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1347392"	257.068907	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1018111"	261.108076	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1539359"	262.101708	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1000496"	131.057676	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1596091"	263.016328	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1421753"	293.047838	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1158605"	151.570951	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1709250"	310.074385	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1645994"	315.02978	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1578364"	331.00372	"C03269"	"D-galacto-Hexodialdose"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"813108"	116.0473	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M"	0
"977894"	97.02891	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-H2O-H"	-19.01839
"63051"	76.3575906666667	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M-3H"	-3.021828
"503023"	115.040024	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M-3H"	-3.021828
"880163"	37.6751573333333	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-3H"	-3.021828
"481"	115.040024	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M-2H"	-2.014552
"440901"	173.063674	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M-2H"	-2.014552
"820893"	57.016374	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-2H"	-2.014552
"80517"	231.087324	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M-H"	-1.007276
"523364"	347.134624	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M-H"	-1.007276
"909431"	115.040024	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-H"	-1.007276
"55543"	248.113871	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M-2H+NH4"	16.019271
"492914"	364.161171	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M-2H+NH4"	16.019271
"868530"	132.066571	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-2H+NH4"	16.019271
"37523"	253.069266	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M-2H+Na"	20.974666
"474165"	369.116566	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M-2H+Na"	20.974666
"849006"	137.021966	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-2H+Na"	20.974666
"1621139"	137.021966	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Na-2H"	20.974666
"96573"	133.028363	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M-H+Cl"	33.962126
"534302"	191.052013	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M-H+Cl"	33.962126
"928421"	75.004713	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-H+Cl"	33.962126
"268197"	267.064002	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+Cl"	34.969402
"662808"	383.111302	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+Cl"	34.969402
"1273508"	151.016702	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Cl"	34.969402
"16430"	269.043206	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M-2H+K"	36.948606
"456399"	385.090506	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M-2H+K"	36.948606
"833229"	152.995906	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-2H+K"	36.948606
"1555988"	152.995906	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+K-2H"	36.948606
"950882"	161.045494	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-H+HCOOH"	44.998194
"365820"	277.092801	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+HCOOH-H"	44.998201
"346784"	291.108451	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+Hac-H"	59.013851
"1504008"	175.061151	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Hac-H"	59.013851
"973629"	183.027451	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-H+NaCOOH"	66.980151
"123743"	151.016702	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+2Cl"	69.938804
"558929"	209.040352	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+2Cl"	69.938804
"1034290"	92.993052	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2Cl"	69.938804
"1249494"	194.966185	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Br"	78.918885
"1311941"	197.022172	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Cl+HCOOH"	80.974872
"1330169"	219.004129	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Cl+NaCOOH"	102.956829
"921589"	229.032886	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M-H+CF3COOH"	112.985586
"1295017"	265.009564	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Cl+CF3COOH"	148.962264
"1380839"	81.034624	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H-2H2O"	-35.012676
"1396880"	99.0446	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H-H2O"	-17.0027
"296201"	233.101876	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+H"	1.007276
"688988"	349.149176	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+H"	1.007276
"1360231"	117.054576	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H"	1.007276
"137494"	117.054576	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+2H"	2.014552
"574503"	175.078226	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+2H"	2.014552
"1042572"	59.030926	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2H"	2.014552
"218495"	78.3721426666667	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+3H"	3.021828
"650034"	117.054576	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+3H"	3.021828
"1165979"	39.6897093333333	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+3H"	3.021828
"428157"	250.128423	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+NH4"	18.033823
"791340"	366.175723	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+NH4"	18.033823
"1687671"	134.081123	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+NH4"	18.033823
"335951"	125.5678495	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+H+NH4"	19.041099
"729465"	183.5914995	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+H+NH4"	19.041099
"1484380"	67.5441995	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H+NH4"	19.041099
"392867"	255.083818	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+Na"	22.989218
"754693"	371.131118	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+Na"	22.989218
"1608877"	139.036518	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Na"	22.989218
"316726"	128.045547	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+H+Na"	23.996494
"716807"	186.069197	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+H+Na"	23.996494
"1468441"	70.021897	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H+Na"	23.996494
"1058404"	47.0170233333333	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2H+Na"	25.00377
"1262269"	149.080786	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+CH3OH+H"	33.033486
"380842"	271.057758	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+K"	38.963158
"741109"	387.105058	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+K"	38.963158
"1544989"	155.010458	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+K"	38.963158
"300343"	136.032517	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+H+K"	39.970434
"695679"	194.056167	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+H+K"	39.970434
"1447678"	78.008867	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H+K"	39.970434
"245759"	274.128426	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+ACN+H"	42.033826
"1221752"	158.081126	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+ACN+H"	42.033826
"1204539"	79.544201	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+ACN+2H"	43.041102
"197410"	277.06576	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+2Na-H"	44.97116
"635877"	393.11306	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+2Na-H"	44.97116
"1140487"	161.01846	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2Na-H"	44.97116
"184506"	139.036518	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+2Na"	45.978436
"623339"	197.060168	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+2Na"	45.978436
"1126843"	81.012868	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2Na"	45.978436
"1408180"	54.3443373333333	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H+2Na"	46.985712
"1438108"	163.060046	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H+HCOOH"	47.012746
"232177"	144.06954	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+3H2O+2H"	56.04448
"1518053"	177.11209	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+IsoProp+H"	61.06479
"418832"	147.023488	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+Na+K"	61.952376
"779829"	205.047138	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+Na+K"	61.952376
"1672879"	88.999838	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Na+K"	61.952376
"257211"	296.110368	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+ACN+Na"	64.015768
"1232106"	180.063068	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+ACN+Na"	64.015768
"1719897"	180.086593	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+NH4+HCOOH"	64.039293
"1181604"	61.6716513333333	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+3Na"	68.967654
"1658058"	185.041988	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Na+HCOOH"	68.994688
"165284"	309.01364	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+2K-H"	76.91904
"609224"	425.06094	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+2K-H"	76.91904
"1098114"	192.96634	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2K-H"	76.91904
"149461"	155.010458	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"2M+2K"	77.926316
"591209"	213.034108	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"3M+2K"	77.926316
"1084124"	96.986808	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2K"	77.926316
"1115012"	194.980892	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2K+H"	78.933592
"1350057"	195.068507	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+DMSO+H"	79.021207
"1018221"	199.107676	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2ACN+H"	83.060376
"1539869"	200.101308	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+IsoProp+Na+H"	84.054008
"1002794"	100.057476	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+2ACN+2H"	84.067652
"1595110"	201.015928	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+K+HCOOH"	84.968628
"1421863"	231.047438	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+H+CF3COOH"	115.000138
"1160902"	120.570751	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+3ACN+2H"	125.094202
"1709358"	248.073985	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+NH4+CF3COOH"	132.026685
"1649020"	253.02938	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+Na+CF3COOH"	136.98208
"1581756"	269.00332	"C03273"	"5-Oxopentanoate;Glutarate semialdehyde"	"C5H8O3"	"116.0473"	"M+K+CF3COOH"	152.95602
"807750"	246.0505	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M"	0
"981283"	227.03211	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-H2O-H"	-19.01839
"67339"	163.026390666667	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M-3H"	-3.021828
"503981"	245.043224	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M-3H"	-3.021828
"881541"	81.0095573333333	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-3H"	-3.021828
"2179"	245.043224	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M-2H"	-2.014552
"441740"	368.068474	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M-2H"	-2.014552
"821732"	122.017974	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-2H"	-2.014552
"80263"	491.093724	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M-H"	-1.007276
"521651"	737.144224	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M-H"	-1.007276
"908932"	245.043224	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-H"	-1.007276
"55653"	508.120271	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M-2H+NH4"	16.019271
"494117"	754.170771	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M-2H+NH4"	16.019271
"869733"	262.069771	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-2H+NH4"	16.019271
"36903"	513.075666	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M-2H+Na"	20.974666
"475003"	759.126166	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M-2H+Na"	20.974666
"849160"	267.025166	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-2H+Na"	20.974666
"1624529"	267.025166	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Na-2H"	20.974666
"97047"	263.031563	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M-H+Cl"	33.962126
"535875"	386.056813	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M-H+Cl"	33.962126
"929390"	140.006313	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-H+Cl"	33.962126
"269770"	527.070402	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+Cl"	34.969402
"662190"	773.120902	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+Cl"	34.969402
"1275325"	281.019902	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Cl"	34.969402
"16907"	529.049606	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M-2H+K"	36.948606
"458536"	775.100106	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M-2H+K"	36.948606
"836338"	282.999106	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-2H+K"	36.948606
"1560920"	282.999106	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+K-2H"	36.948606
"946617"	291.048694	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-H+HCOOH"	44.998194
"369210"	537.099201	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+HCOOH-H"	44.998201
"347988"	551.114851	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+Hac-H"	59.013851
"1504117"	305.064351	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Hac-H"	59.013851
"973859"	313.030651	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-H+NaCOOH"	66.980151
"123489"	281.019902	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+2Cl"	69.938804
"559040"	404.045152	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+2Cl"	69.938804
"1031120"	157.994652	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2Cl"	69.938804
"1248510"	324.969385	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Br"	78.918885
"1308770"	327.025372	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Cl+HCOOH"	80.974872
"1326267"	349.007329	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Cl+NaCOOH"	102.956829
"919512"	359.036086	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M-H+CF3COOH"	112.985586
"1295128"	395.012764	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Cl+CF3COOH"	148.962264
"1380947"	211.037824	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H-2H2O"	-35.012676
"1394438"	229.0478	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H-H2O"	-17.0027
"295583"	493.108276	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+H"	1.007276
"689585"	739.158776	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+H"	1.007276
"1360341"	247.057776	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H"	1.007276
"138700"	247.057776	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+2H"	2.014552
"577164"	370.083026	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+2H"	2.014552
"1041589"	124.032526	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2H"	2.014552
"217877"	165.040942666667	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+3H"	3.021828
"650144"	247.057776	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+3H"	3.021828
"1170463"	83.0241093333333	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+3H"	3.021828
"431547"	510.134823	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+NH4"	18.033823
"790357"	756.185323	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+NH4"	18.033823
"1689968"	264.084323	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+NH4"	18.033823
"337154"	255.5710495	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+H+NH4"	19.041099
"729575"	378.5962995	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+H+NH4"	19.041099
"1484490"	132.5457995	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H+NH4"	19.041099
"397706"	515.090218	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+Na"	22.989218
"759793"	761.140718	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+Na"	22.989218
"1608987"	269.039718	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Na"	22.989218
"319024"	258.048747	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+H+Na"	23.996494
"718012"	381.073997	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+H+Na"	23.996494
"1470737"	135.023497	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H+Na"	23.996494
"1060701"	90.3514233333333	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2H+Na"	25.00377
"1259099"	279.083986	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+CH3OH+H"	33.033486
"382047"	531.064158	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+K"	38.963158
"740492"	777.114658	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+K"	38.963158
"1541087"	285.013658	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+K"	38.963158
"301179"	266.035717	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+H+K"	39.970434
"694693"	389.060967	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+H+K"	39.970434
"1447784"	143.010467	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H+K"	39.970434
"245869"	534.134826	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+ACN+H"	42.033826
"1223684"	288.084326	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+ACN+H"	42.033826
"1204650"	144.545801	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+ACN+2H"	43.041102
"197520"	537.07216	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+2Na-H"	44.97116
"637080"	783.12266	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+2Na-H"	44.97116
"1141688"	291.02166	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2Na-H"	44.97116
"182795"	269.039718	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+2Na"	45.978436
"621262"	392.064968	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+2Na"	45.978436
"1125496"	146.014468	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2Na"	45.978436
"1406103"	97.6787373333333	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H+2Na"	46.985712
"1441137"	293.063246	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H+HCOOH"	47.012746
"230830"	274.07274	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+3H2O+2H"	56.04448
"1515976"	307.11529	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+IsoProp+H"	61.06479
"415662"	277.026688	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+Na+K"	61.952376
"780304"	400.051938	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+Na+K"	61.952376
"1671895"	154.001438	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Na+K"	61.952376
"257320"	556.116768	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+ACN+Na"	64.015768
"1232217"	310.066268	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+ACN+Na"	64.015768
"1721102"	310.089793	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+NH4+HCOOH"	64.039293
"1182444"	105.006051333333	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+3Na"	68.967654
"1657804"	315.045188	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Na+HCOOH"	68.994688
"165394"	569.02004	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+2K-H"	76.91904
"604959"	815.07054	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+2K-H"	76.91904
"1099447"	322.96954	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2K-H"	76.91904
"156258"	285.013658	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"2M+2K"	77.926316
"595332"	408.038908	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"3M+2K"	77.926316
"1083783"	161.988408	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2K"	77.926316
"1112325"	324.984092	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2K+H"	78.933592
"1348706"	325.071707	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+DMSO+H"	79.021207
"1018210"	329.110876	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2ACN+H"	83.060376
"1537553"	330.104508	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+IsoProp+Na+H"	84.054008
"1002784"	165.059076	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+2ACN+2H"	84.067652
"1595220"	331.019128	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+K+HCOOH"	84.968628
"1420880"	361.050638	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+H+CF3COOH"	115.000138
"1161012"	185.572351	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+3ACN+2H"	125.094202
"1708375"	378.077185	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+NH4+CF3COOH"	132.026685
"1646214"	383.03258	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+Na+CF3COOH"	136.98208
"1581866"	399.00652	"C03274"	"Glycerophosphoglycerol"	"C6H15O8P"	"246.0505"	"M+K+CF3COOH"	152.95602
"814420"	154.0378	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M"	0
"981393"	135.01941	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-H2O-H"	-19.01839
"68541"	101.684590666667	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M-3H"	-3.021828
"510287"	153.030524	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M-3H"	-3.021828
"882623"	50.3386573333333	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-3H"	-3.021828
"3385"	153.030524	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M-2H"	-2.014552
"448412"	230.049424	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M-2H"	-2.014552
"821842"	76.011624	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-2H"	-2.014552
"82927"	307.068324	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M-H"	-1.007276
"522490"	461.106124	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M-H"	-1.007276
"910135"	153.030524	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-H"	-1.007276
"55763"	324.094871	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M-2H+NH4"	16.019271
"493134"	478.132671	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M-2H+NH4"	16.019271
"869843"	170.057071	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-2H+NH4"	16.019271
"37743"	329.050266	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M-2H+Na"	20.974666
"475480"	483.088066	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M-2H+Na"	20.974666
"853281"	175.012466	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-2H+Na"	20.974666
"1622452"	175.012466	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Na-2H"	20.974666
"101167"	171.018863	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M-H+Cl"	33.962126
"538540"	248.037763	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M-H+Cl"	33.962126
"932053"	93.999963	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-H+Cl"	33.962126
"269515"	343.045002	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+Cl"	34.969402
"664123"	497.082802	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+Cl"	34.969402
"1277622"	189.007202	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Cl"	34.969402
"20179"	345.024206	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M-2H+K"	36.948606
"459739"	499.062006	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M-2H+K"	36.948606
"838635"	190.986406	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-2H+K"	36.948606
"1561030"	190.986406	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+K-2H"	36.948606
"946727"	199.035994	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-H+HCOOH"	44.998194
"374425"	353.073801	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+HCOOH-H"	44.998201
"352109"	367.089451	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+Hac-H"	59.013851
"1507144"	213.051651	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Hac-H"	59.013851
"973243"	221.017951	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-H+NaCOOH"	66.980151
"124700"	189.007202	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+2Cl"	69.938804
"561702"	266.026102	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+2Cl"	69.938804
"1033053"	111.988302	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2Cl"	69.938804
"1250808"	232.956685	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Br"	78.918885
"1309975"	235.012672	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Cl+HCOOH"	80.974872
"1329659"	256.994629	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Cl+NaCOOH"	102.956829
"921810"	267.023386	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M-H+CF3COOH"	112.985586
"1293052"	303.000064	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Cl+CF3COOH"	148.962264
"1381304"	119.025124	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H-2H2O"	-35.012676
"1394912"	137.0351	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H-H2O"	-17.0027
"293870"	309.082876	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+H"	1.007276
"690302"	463.120676	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+H"	1.007276
"1366650"	155.045076	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H"	1.007276
"140269"	155.045076	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+2H"	2.014552
"578371"	232.063976	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+2H"	2.014552
"1047897"	78.026176	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2H"	2.014552
"218351"	103.699142666667	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+3H"	3.021828
"656451"	155.045076	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+3H"	3.021828
"1174949"	52.3532093333333	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+3H"	3.021828
"434938"	326.109423	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+NH4"	18.033823
"791561"	480.147223	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+NH4"	18.033823
"1688985"	172.071623	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+NH4"	18.033823
"336171"	163.5583495	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+H+NH4"	19.041099
"729685"	240.5772495	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+H+NH4"	19.041099
"1487880"	86.5394495	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H+NH4"	19.041099
"397816"	331.064818	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+Na"	22.989218
"760996"	485.102618	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+Na"	22.989218
"1611283"	177.027018	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Na"	22.989218
"321321"	166.036047	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+H+Na"	23.996494
"718122"	243.054947	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+H+Na"	23.996494
"1467567"	89.017147	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H+Na"	23.996494
"1061905"	59.6805233333333	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2H+Na"	25.00377
"1261397"	187.071286	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+CH3OH+H"	33.033486
"383251"	347.038758	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+K"	38.963158
"740602"	501.076558	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+K"	38.963158
"1541193"	193.000958	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+K"	38.963158
"301289"	174.023017	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+H+K"	39.970434
"696994"	251.041917	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+H+K"	39.970434
"1448261"	97.004117	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H+K"	39.970434
"245979"	350.109426	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+ACN+H"	42.033826
"1221972"	196.071626	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+ACN+H"	42.033826
"1206948"	98.539451	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+ACN+2H"	43.041102
"200911"	353.04676	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+2Na-H"	44.97116
"639377"	507.08456	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+2Na-H"	44.97116
"1143624"	199.00896	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2Na-H"	44.97116
"185092"	177.027018	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+2Na"	45.978436
"623559"	254.045918	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+2Na"	45.978436
"1127429"	100.008118	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2Na"	45.978436
"1410588"	67.0078373333333	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H+2Na"	46.985712
"1441247"	201.050546	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H+HCOOH"	47.012746
"231305"	182.06004	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+3H2O+2H"	56.04448
"1517910"	215.10259	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+IsoProp+H"	61.06479
"418324"	185.013988	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+Na+K"	61.952376
"775676"	262.032888	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+Na+K"	61.952376
"1672005"	107.995088	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Na+K"	61.952376
"257430"	372.091368	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+ACN+Na"	64.015768
"1231595"	218.053568	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+ACN+Na"	64.015768
"1717200"	218.077093	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+NH4+HCOOH"	64.039293
"1179187"	74.3351513333333	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+3Na"	68.967654
"1652446"	223.032488	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Na+HCOOH"	68.994688
"158089"	384.99464	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+2K-H"	76.91904
"602153"	539.03244	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+2K-H"	76.91904
"1099594"	230.95684	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2K-H"	76.91904
"156735"	193.000958	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"2M+2K"	77.926316
"596663"	270.019858	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"3M+2K"	77.926316
"1083121"	115.982058	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2K"	77.926316
"1114259"	232.971392	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2K+H"	78.933592
"1347723"	233.059007	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+DMSO+H"	79.021207
"1017347"	237.098176	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2ACN+H"	83.060376
"1536569"	238.091808	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+IsoProp+Na+H"	84.054008
"1001921"	119.052726	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+2ACN+2H"	84.067652
"1594238"	239.006428	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+K+HCOOH"	84.968628
"1418803"	269.037938	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+H+CF3COOH"	115.000138
"1161122"	139.566001	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+3ACN+2H"	125.094202
"1709580"	286.064485	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+NH4+CF3COOH"	132.026685
"1646324"	291.01988	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+Na+CF3COOH"	136.98208
"1581976"	306.99382	"C03277"	"Imidazol-5-yl-pyruvate;3-(Imidazol-5-yl)pyruvate;Imidazole pyruvate;Imidazole pyruvic acid"	"C6H6N2O3"	"154.0378"	"M+K+CF3COOH"	152.95602
"809063"	312.0706	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M"	0
"977129"	293.05221	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-H2O-H"	-19.01839
"63547"	207.039790666667	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M-3H"	-3.021828
"503836"	311.063324	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M-3H"	-3.021828
"881271"	103.016257333333	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-3H"	-3.021828
"577"	311.063324	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M-2H"	-2.014552
"443055"	467.098624	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M-2H"	-2.014552
"819036"	155.028024	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-2H"	-2.014552
"79027"	623.133924	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M-H"	-1.007276
"523693"	935.204524	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M-H"	-1.007276
"910245"	311.063324	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-H"	-1.007276
"55873"	640.160471	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M-2H+NH4"	16.019271
"491422"	952.231071	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M-2H+NH4"	16.019271
"869953"	328.089871	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-2H+NH4"	16.019271
"36030"	645.115866	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M-2H+Na"	20.974666
"475954"	957.186466	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M-2H+Na"	20.974666
"849744"	333.045266	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-2H+Na"	20.974666
"1620372"	333.045266	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Na-2H"	20.974666
"96293"	329.051663	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M-H+Cl"	33.962126
"534392"	485.086963	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M-H+Cl"	33.962126
"932162"	173.016363	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-H+Cl"	33.962126
"270718"	659.110602	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+Cl"	34.969402
"665327"	971.181202	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+Cl"	34.969402
"1274572"	347.040002	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Cl"	34.969402
"16682"	661.089806	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M-2H+K"	36.948606
"456567"	973.160406	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M-2H+K"	36.948606
"834372"	349.019206	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-2H+K"	36.948606
"1557860"	349.019206	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+K-2H"	36.948606
"943225"	357.068794	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-H+HCOOH"	44.998194
"374535"	669.139401	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+HCOOH-H"	44.998201
"350033"	683.155051	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+Hac-H"	59.013851
"1506525"	371.084451	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Hac-H"	59.013851
"973842"	379.050751	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-H+NaCOOH"	66.980151
"124081"	347.040002	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+2Cl"	69.938804
"562542"	503.075302	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+2Cl"	69.938804
"1033895"	191.004702	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2Cl"	69.938804
"1253836"	390.989485	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Br"	78.918885
"1311179"	393.045472	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Cl+HCOOH"	80.974872
"1329769"	415.027429	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Cl+NaCOOH"	102.956829
"919734"	425.056186	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M-H+CF3COOH"	112.985586
"1297172"	461.032864	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Cl+CF3COOH"	148.962264
"1379711"	277.057924	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H-2H2O"	-35.012676
"1395023"	295.0679	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H-H2O"	-17.0027
"293615"	625.148476	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+H"	1.007276
"691226"	937.219076	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+H"	1.007276
"1365910"	313.077876	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H"	1.007276
"140502"	313.077876	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+2H"	2.014552
"578845"	469.113176	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+2H"	2.014552
"1049830"	157.042576	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2H"	2.014552
"218096"	209.054342666667	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+3H"	3.021828
"655468"	313.077876	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+3H"	3.021828
"1175423"	105.030809333333	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+3H"	3.021828
"435048"	642.175023	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+NH4"	18.033823
"790578"	954.245623	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+NH4"	18.033823
"1686909"	330.104423	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+NH4"	18.033823
"336281"	321.5911495	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+H+NH4"	19.041099
"731982"	477.6264495	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+H+NH4"	19.041099
"1487990"	165.5558495	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H+NH4"	19.041099
"397926"	647.130418	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+Na"	22.989218
"761106"	959.201018	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+Na"	22.989218
"1613580"	335.059818	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Na"	22.989218
"321432"	324.068847	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+H+Na"	23.996494
"716045"	480.104147	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+H+Na"	23.996494
"1466583"	168.033547	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H+Na"	23.996494
"1058735"	112.358123333333	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2H+Na"	25.00377
"1263694"	345.104086	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+CH3OH+H"	33.033486
"380082"	663.104358	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+K"	38.963158
"741440"	975.174958	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+K"	38.963158
"1542036"	351.033758	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+K"	38.963158
"299207"	332.055817	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+H+K"	39.970434
"696011"	488.091117	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+H+K"	39.970434
"1447643"	176.020517	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H+K"	39.970434
"242809"	666.175026	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+ACN+H"	42.033826
"1223176"	354.104426	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+ACN+H"	42.033826
"1204871"	177.555851	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+ACN+2H"	43.041102
"198834"	669.11236	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+2Na-H"	44.97116
"636207"	981.18296	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+2Na-H"	44.97116
"1144098"	357.04176	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2Na-H"	44.97116
"184837"	335.059818	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+2Na"	45.978436
"623669"	491.095118	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+2Na"	45.978436
"1126081"	179.024518	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2Na"	45.978436
"1409603"	119.685437333333	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H+2Na"	46.985712
"1442450"	359.083346	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H+HCOOH"	47.012746
"231414"	340.09284	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+3H2O+2H"	56.04448
"1516198"	373.13539	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+IsoProp+H"	61.06479
"418069"	343.046788	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+Na+K"	61.952376
"774693"	499.082088	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+Na+K"	61.952376
"1672115"	187.011488	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Na+K"	61.952376
"256811"	688.156968	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+ACN+Na"	64.015768
"1233162"	376.086368	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+ACN+Na"	64.015768
"1716581"	376.109893	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+NH4+HCOOH"	64.039293
"1179622"	127.012751333333	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+3Na"	68.967654
"1652920"	381.065288	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Na+HCOOH"	68.994688
"158687"	701.06024	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+2K-H"	76.91904
"601899"	1013.13084	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+2K-H"	76.91904
"1099424"	388.98964	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2K-H"	76.91904
"153072"	351.033758	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"2M+2K"	77.926316
"596403"	507.069058	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"3M+2K"	77.926316
"1083716"	194.998458	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2K"	77.926316
"1114729"	391.004192	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2K+H"	78.933592
"1344552"	391.091807	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+DMSO+H"	79.021207
"1014175"	395.130976	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2ACN+H"	83.060376
"1538500"	396.124608	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+IsoProp+Na+H"	84.054008
"1002031"	198.069126	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+2ACN+2H"	84.067652
"1594348"	397.039228	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+K+HCOOH"	84.968628
"1418913"	427.070738	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+H+CF3COOH"	115.000138
"1159045"	218.582401	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+3ACN+2H"	125.094202
"1710419"	444.097285	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+NH4+CF3COOH"	132.026685
"1646434"	449.05268	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+Na+CF3COOH"	136.98208
"1582086"	465.02662	"C03280"	"Inosine-5-carboxylate"	"C11H12N4O7"	"312.0706"	"M+K+CF3COOH"	152.95602
"809172"	564.2044	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M"	0
"978332"	545.18601	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-H2O-H"	-19.01839
"64387"	375.128990666667	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M-3H"	-3.021828
"505036"	563.197124	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M-3H"	-3.021828
"880241"	187.060857333333	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-3H"	-3.021828
"1049"	563.197124	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M-2H"	-2.014552
"444257"	845.299324	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M-2H"	-2.014552
"820967"	281.094924	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-2H"	-2.014552
"79864"	1127.401524	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M-H"	-1.007276
"523803"	1691.605924	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M-H"	-1.007276
"902700"	563.197124	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-H"	-1.007276
"55983"	1144.428071	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M-2H+NH4"	16.019271
"493354"	1708.632471	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M-2H+NH4"	16.019271
"870063"	580.223671	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-2H+NH4"	16.019271
"35775"	1149.383466	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M-2H+Na"	20.974666
"474238"	1713.587866	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M-2H+Na"	20.974666
"850581"	585.179066	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-2H+Na"	20.974666
"1618737"	585.179066	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Na-2H"	20.974666
"96277"	581.185463	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M-H+Cl"	33.962126
"535110"	863.287663	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M-H+Cl"	33.962126
"933365"	299.083263	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-H+Cl"	33.962126
"268639"	1163.378202	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+Cl"	34.969402
"663249"	1727.582602	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+Cl"	34.969402
"1274195"	599.173802	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Cl"	34.969402
"18210"	1165.357406	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M-2H+K"	36.948606
"457769"	1729.561806	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M-2H+K"	36.948606
"832867"	601.153006	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-2H+K"	36.948606
"1556021"	601.153006	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+K-2H"	36.948606
"943008"	609.202594	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-H+HCOOH"	44.998194
"368446"	1173.407001	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+HCOOH-H"	44.998201
"352329"	1187.422651	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+Hac-H"	59.013851
"1502259"	623.218251	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Hac-H"	59.013851
"973696"	631.184551	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-H+NaCOOH"	66.980151
"121996"	599.173802	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+2Cl"	69.938804
"560462"	881.276002	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+2Cl"	69.938804
"1034735"	317.071602	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2Cl"	69.938804
"1248841"	643.123285	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Br"	78.918885
"1312382"	645.179272	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Cl+HCOOH"	80.974872
"1329878"	667.161229	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Cl+NaCOOH"	102.956829
"919842"	677.189986	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M-H+CF3COOH"	112.985586
"1294362"	713.166664	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Cl+CF3COOH"	148.962264
"1377995"	529.191724	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H-2H2O"	-35.012676
"1392214"	547.2017	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H-H2O"	-17.0027
"295544"	1129.416076	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+H"	1.007276
"686874"	1693.620476	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+H"	1.007276
"1362128"	565.211676	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H"	1.007276
"135745"	565.211676	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+2H"	2.014552
"574211"	847.313876	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+2H"	2.014552
"1044104"	283.109476	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2H"	2.014552
"210914"	377.143542666667	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+3H"	3.021828
"650473"	565.211676	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+3H"	3.021828
"1174437"	189.075409333333	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+3H"	3.021828
"433701"	1146.442623	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+NH4"	18.033823
"792875"	1710.647023	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+NH4"	18.033823
"1687019"	582.238223	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+NH4"	18.033823
"336391"	573.7249495	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+H+NH4"	19.041099
"728812"	855.8271495	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+H+NH4"	19.041099
"1478259"	291.6227495	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H+NH4"	19.041099
"394755"	1151.398018	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+Na"	22.989218
"754377"	1715.602418	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+Na"	22.989218
"1612597"	587.193618	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Na"	22.989218
"320448"	576.202647	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+H+Na"	23.996494
"708131"	858.304847	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+H+Na"	23.996494
"1461321"	294.100447	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H+Na"	23.996494
"1053740"	196.402723333333	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2H+Na"	25.00377
"1257605"	597.237886	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+CH3OH+H"	33.033486
"380189"	1167.371958	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+K"	38.963158
"739362"	1731.576358	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+K"	38.963158
"1539992"	603.167558	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+K"	38.963158
"298953"	584.189617	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+H+K"	39.970434
"691781"	866.291817	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+H+K"	39.970434
"1446656"	302.087417	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H+K"	39.970434
"242919"	1170.442626	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+ACN+H"	42.033826
"1220006"	606.238226	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+ACN+H"	42.033826
"1202794"	303.622751	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+ACN+2H"	43.041102
"195664"	1173.37996	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+2Na-H"	44.97116
"633037"	1737.58436	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+2Na-H"	44.97116
"1143843"	609.17556	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2Na-H"	44.97116
"184218"	587.193618	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+2Na"	45.978436
"623778"	869.295818	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+2Na"	45.978436
"1127284"	305.091418	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2Na"	45.978436
"1409349"	203.730037333333	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H+2Na"	46.985712
"1442196"	611.217146	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H+HCOOH"	47.012746
"232617"	592.22664	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+3H2O+2H"	56.04448
"1518494"	625.26919	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+IsoProp+H"	61.06479
"418179"	595.180588	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+Na+K"	61.952376
"775896"	877.282788	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+Na+K"	61.952376
"1672225"	313.078388	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Na+K"	61.952376
"256557"	1192.424568	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+ACN+Na"	64.015768
"1228900"	628.220168	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+ACN+Na"	64.015768
"1715962"	628.243693	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+NH4+HCOOH"	64.039293
"1180220"	211.057351333333	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+3Na"	68.967654
"1652669"	633.199088	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Na+HCOOH"	68.994688
"158797"	1205.32784	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+2K-H"	76.91904
"600916"	1769.53224	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+2K-H"	76.91904
"1098553"	641.12344	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2K-H"	76.91904
"152088"	603.167558	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"2M+2K"	77.926316
"596514"	885.269758	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"3M+2K"	77.926316
"1083826"	321.065358	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2K"	77.926316
"1114475"	643.137992	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2K+H"	78.933592
"1344662"	643.225607	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+DMSO+H"	79.021207
"1013192"	647.264776	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2ACN+H"	83.060376
"1536787"	648.258408	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+IsoProp+Na+H"	84.054008
"997767"	324.136026	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+2ACN+2H"	84.067652
"1595551"	649.173028	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+K+HCOOH"	84.968628
"1417930"	679.204538	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+H+CF3COOH"	115.000138
"1159155"	344.649301	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+3ACN+2H"	125.094202
"1710893"	696.231085	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+NH4+CF3COOH"	132.026685
"1644357"	701.18648	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+Na+CF3COOH"	136.98208
"1578916"	717.16042	"C03281"	"Kanamycin A 3-phosphate;Kanamycin 3-phosphate"	"C18H37N4O14P"	"564.2044"	"M+K+CF3COOH"	152.95602
"809282"	118.0742	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M"	0
"979535"	99.05581	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-H2O-H"	-19.01839
"64497"	77.7088573333333	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M-3H"	-3.021828
"506604"	117.066924	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M-3H"	-3.021828
"881857"	38.3507906666667	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-3H"	-3.021828
"1526"	117.066924	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M-2H"	-2.014552
"445460"	176.104024	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M-2H"	-2.014552
"821076"	58.029824	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-2H"	-2.014552
"82161"	235.141124	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M-H"	-1.007276
"523913"	353.215324	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M-H"	-1.007276
"901717"	117.066924	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-H"	-1.007276
"56093"	252.167671	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M-2H+NH4"	16.019271
"494557"	370.241871	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M-2H+NH4"	16.019271
"871266"	134.093471	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-2H+NH4"	16.019271
"36979"	257.123066	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M-2H+Na"	20.974666
"473621"	375.197266	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M-2H+Na"	20.974666
"850330"	139.048866	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-2H+Na"	20.974666
"1620952"	139.048866	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Na-2H"	20.974666
"96024"	135.055263	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M-H+Cl"	33.962126
"534817"	194.092363	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M-H+Cl"	33.962126
"932383"	76.018163	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-H+Cl"	33.962126
"270938"	271.117802	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+Cl"	34.969402
"664454"	389.192002	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+Cl"	34.969402
"1274670"	153.043602	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Cl"	34.969402
"19414"	273.097006	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M-2H+K"	36.948606
"457031"	391.171206	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M-2H+K"	36.948606
"834592"	155.022806	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-2H+K"	36.948606
"1559174"	155.022806	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+K-2H"	36.948606
"945963"	163.072394	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-H+HCOOH"	44.998194
"364182"	281.146601	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+HCOOH-H"	44.998201
"357182"	295.162251	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+Hac-H"	59.013851
"1508083"	177.088051	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Hac-H"	59.013851
"973324"	185.054351	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-H+NaCOOH"	66.980151
"123198"	153.043602	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+2Cl"	69.938804
"561667"	212.080702	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+2Cl"	69.938804
"1032652"	94.006502	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2Cl"	69.938804
"1252231"	196.993085	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Br"	78.918885
"1309211"	199.049072	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Cl+HCOOH"	80.974872
"1322334"	221.031029	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Cl+NaCOOH"	102.956829
"914483"	231.059786	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M-H+CF3COOH"	112.985586
"1290464"	267.036464	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Cl+CF3COOH"	148.962264
"1375917"	83.061524	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H-2H2O"	-35.012676
"1395241"	101.0715	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H-H2O"	-17.0027
"296385"	237.155676	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+H"	1.007276
"688441"	355.229876	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+H"	1.007276
"1362965"	119.081476	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H"	1.007276
"132573"	119.081476	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+2H"	2.014552
"574320"	178.118576	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+2H"	2.014552
"1046403"	60.044376	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2H"	2.014552
"213213"	79.7234093333333	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+3H"	3.021828
"647305"	119.081476	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+3H"	3.021828
"1175274"	40.3653426666667	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+3H"	3.021828
"431988"	254.182223	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+NH4"	18.033823
"792985"	372.256423	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+NH4"	18.033823
"1690046"	136.108023	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+NH4"	18.033823
"333221"	127.5947495	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+H+NH4"	19.041099
"730015"	186.6318495	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+H+NH4"	19.041099
"1486751"	68.5576495	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H+NH4"	19.041099
"398146"	259.137618	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+Na"	22.989218
"765703"	377.211818	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+Na"	22.989218
"1612709"	141.063418	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Na"	22.989218
"320560"	130.072447	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+H+Na"	23.996494
"709703"	189.109547	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+H+Na"	23.996494
"1461818"	71.035347	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H+Na"	23.996494
"1054216"	47.6926566666667	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2H+Na"	25.00377
"1257193"	151.107686	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+CH3OH+H"	33.033486
"377299"	275.111558	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+K"	38.963158
"739838"	393.185758	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+K"	38.963158
"1540147"	157.037358	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+K"	38.963158
"298942"	138.059417	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+H+K"	39.970434
"691971"	197.096517	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+H+K"	39.970434
"1446400"	79.022317	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H+K"	39.970434
"241935"	278.182226	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+ACN+H"	42.033826
"1221938"	160.108026	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+ACN+H"	42.033826
"1202904"	80.557651	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+ACN+2H"	43.041102
"195774"	281.11956	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+2Na-H"	44.97116
"633147"	399.19376	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+2Na-H"	44.97116
"1144682"	163.04536	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2Na-H"	44.97116
"185056"	141.063418	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+2Na"	45.978436
"622795"	200.100518	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+2Na"	45.978436
"1126301"	82.026318	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2Na"	45.978436
"1409823"	55.0199706666667	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H+2Na"	46.985712
"1441578"	165.086946	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H+HCOOH"	47.012746
"232001"	146.09644	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+3H2O+2H"	56.04448
"1515324"	179.13899	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+IsoProp+H"	61.06479
"421205"	149.050388	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+Na+K"	61.952376
"777099"	208.087488	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+Na+K"	61.952376
"1669055"	90.013288	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Na+K"	61.952376
"256667"	300.164168	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+ACN+Na"	64.015768
"1229010"	182.089968	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+ACN+Na"	64.015768
"1721542"	182.113493	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+NH4+HCOOH"	64.039293
"1181791"	62.3472846666667	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+3Na"	68.967654
"1652415"	187.068888	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Na+HCOOH"	68.994688
"157814"	313.06744	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+2K-H"	76.91904
"600293"	431.14164	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+2K-H"	76.91904
"1096476"	194.99324	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2K-H"	76.91904
"151105"	157.037358	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"2M+2K"	77.926316
"595895"	216.074458	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"3M+2K"	77.926316
"1083570"	98.000258	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2K"	77.926316
"1113857"	197.007792	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2K+H"	78.933592
"1344772"	197.095407	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+DMSO+H"	79.021207
"1013302"	201.134576	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2ACN+H"	83.060376
"1530334"	202.128208	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+IsoProp+Na+H"	84.054008
"995690"	101.070926	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+2ACN+2H"	84.067652
"1593474"	203.042828	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+K+HCOOH"	84.968628
"1420226"	233.074338	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+H+CF3COOH"	115.000138
"1152702"	121.584201	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+3ACN+2H"	125.094202
"1703347"	250.100885	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+NH4+CF3COOH"	132.026685
"1644467"	255.05628	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+Na+CF3COOH"	136.98208
"1582306"	271.03022	"C03283"	"L-24-Diaminobutanoate;alphagamma-Diaminobutyrate;L-24-Diaminobutyrate"	"C4H10N2O2"	"118.0742"	"M+K+CF3COOH"	152.95602
"812672"	103.0633	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M"	0
"985112"	84.04491	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"71167"	67.7015906666667	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"508539"	102.056024	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"883062"	33.3471573333333	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"4918"	102.056024	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"445572"	153.587674	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"820095"	50.524374	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"84459"	205.119324	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"524024"	308.182624	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"901827"	102.056024	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"59119"	222.145871	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"496856"	325.209171	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"871378"	119.082571	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"37091"	227.101266	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"473733"	330.164566	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"851171"	124.037966	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1620698"	124.037966	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"95772"	120.044363	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"536063"	171.576013	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"930670"	68.512713	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"270320"	241.096002	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"665656"	344.159302	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1276966"	138.032702	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"20617"	243.075206	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"459086"	346.138506	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"835796"	140.011906	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1562565"	140.011906	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"947167"	148.061494	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"365385"	251.124801	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"359479"	265.140451	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1508073"	162.077151	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"973555"	170.043451	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"124411"	138.032702	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"564333"	189.564352	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1034952"	86.501052	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1255260"	181.982185	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1317708"	184.038172	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1331191"	206.020129	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"922978"	216.048886	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1294581"	252.025564	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1374933"	68.050624	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1392430"	86.0606	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"296494"	207.133876	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"690009"	310.197176	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1361983"	104.070576	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"137057"	104.070576	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"574430"	155.602226	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1044325"	52.538926	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"217698"	69.7161426666667	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"650695"	104.070576	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1177815"	35.3617093333333	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"437203"	224.160423	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"794190"	327.223723	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1690520"	121.097123	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"336611"	112.5838495	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"729032"	164.1154995	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1479571"	61.0521995	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"407612"	229.115818	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"768973"	332.179118	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1616829"	126.052518	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"323951"	115.061547	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"710541"	166.593197	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1462901"	63.529897	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1056514"	42.6890233333333	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1257943"	136.096786	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"380048"	245.089758	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"743592"	348.153058	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1540907"	142.026458	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"299177"	123.048517	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"693056"	174.580167	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1453442"	71.516867	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"242046"	248.160426	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1220227"	145.097126	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1204108"	73.052201	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"198075"	251.09776	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"639456"	354.16106	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1142970"	148.03446	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"184801"	126.052518	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"622905"	177.584168	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1122401"	74.520868	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1407749"	50.0163373333333	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1442417"	150.076046	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"230290"	131.08554	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1518714"	164.12809	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"420586"	134.039488	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"777209"	185.571138	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1673539"	82.507838	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"254955"	270.142368	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1231672"	167.079068	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1719465"	167.102593	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1180807"	57.3436513333333	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1653619"	172.057988	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"161572"	283.04564	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"598946"	386.10894	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1093305"	179.98234	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"150122"	142.026458	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"585306"	193.558108	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1082946"	90.494808	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1114695"	181.996892	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1348162"	182.084507	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1018880"	186.123676	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1534819"	187.117308	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"995800"	93.565476	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1594677"	188.031928	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1424711"	218.063438	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1158280"	114.078751	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1706737"	235.089985	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1641295"	240.04538	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1579136"	256.01932	"C03284"	"L-3-Aminoisobutanoate;(S)-3-Aminoisobutyrate;L-3-Aminoisobutyrate;(S)-3-Aminoisobutanoate;(S)-3-Amino-2-methylpropanoate;(S)-beta-Aminoisobutyrate"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"809502"	227.0195	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M"	0
"977203"	208.00111	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-H2O-H"	-19.01839
"63986"	150.339057333333	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M-3H"	-3.021828
"508647"	226.012224	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M-3H"	-3.021828
"882077"	74.6658906666667	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-3H"	-3.021828
"5026"	226.012224	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H"	-2.014552
"444587"	339.521974	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H"	-2.014552
"819474"	112.502474	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-2H"	-2.014552
"82746"	453.031724	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M-H"	-1.007276
"524134"	680.051224	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M-H"	-1.007276
"907406"	226.012224	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-H"	-1.007276
"53034"	470.058271	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+NH4"	16.019271
"489677"	697.077771	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+NH4"	16.019271
"871486"	243.038771	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+NH4"	16.019271
"37200"	475.013666	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+Na"	20.974666
"473964"	702.033166	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+Na"	20.974666
"850672"	247.994166	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+Na"	20.974666
"1620813"	247.994166	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Na-2H"	20.974666
"97343"	244.000563	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M-H+Cl"	33.962126
"539453"	357.510313	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M-H+Cl"	33.962126
"934789"	130.490813	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-H+Cl"	33.962126
"273711"	489.008402	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+Cl"	34.969402
"670141"	716.027902	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+Cl"	34.969402
"1280356"	261.988902	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl"	34.969402
"24007"	490.987606	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+K"	36.948606
"458102"	718.007106	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+K"	36.948606
"835173"	263.968106	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+K"	36.948606
"1557323"	263.968106	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+K-2H"	36.948606
"943300"	272.017694	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-H+HCOOH"	44.998194
"367681"	499.037201	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+HCOOH-H"	44.998201
"358738"	513.052851	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+Hac-H"	59.013851
"1507700"	286.033351	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Hac-H"	59.013851
"973625"	293.999651	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-H+NaCOOH"	66.980151
"124518"	261.988902	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Cl"	69.938804
"563955"	375.498652	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Cl"	69.938804
"1033966"	148.479152	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2Cl"	69.938804
"1255372"	305.938385	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Br"	78.918885
"1317086"	307.994372	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+HCOOH"	80.974872
"1331301"	329.976329	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+NaCOOH"	102.956829
"920900"	340.005086	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M-H+CF3COOH"	112.985586
"1295786"	375.981764	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+CF3COOH"	148.962264
"1373950"	192.006824	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H-2H2O"	-35.012676
"1389260"	210.0168	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H-H2O"	-17.0027
"296240"	455.046276	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+H"	1.007276
"689390"	682.065776	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+H"	1.007276
"1362093"	228.026776	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H"	1.007276
"134980"	228.026776	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+2H"	2.014552
"575633"	341.536526	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+2H"	2.014552
"1045528"	114.517026	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2H"	2.014552
"217444"	152.353609333333	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+3H"	3.021828
"652991"	228.026776	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+3H"	3.021828
"1173306"	76.6804426666667	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+3H"	3.021828
"434396"	472.072823	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+NH4"	18.033823
"791020"	699.092323	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+NH4"	18.033823
"1690630"	245.053323	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4"	18.033823
"336721"	236.5400495	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+NH4"	19.041099
"731329"	350.0497995	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+NH4"	19.041099
"1481868"	123.0302995	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H+NH4"	19.041099
"407842"	477.028218	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+Na"	22.989218
"769801"	704.047718	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+Na"	22.989218
"1617303"	250.008718	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Na"	22.989218
"325154"	239.017747	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+Na"	23.996494
"709924"	352.527497	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+Na"	23.996494
"1462281"	125.507997	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H+Na"	23.996494
"1054803"	84.0077566666667	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2H+Na"	25.00377
"1257813"	260.052986	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+CH3OH+H"	33.033486
"383803"	493.002158	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+K"	38.963158
"745889"	720.021658	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+K"	38.963158
"1543569"	265.982658	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+K"	38.963158
"302934"	247.004717	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+K"	39.970434
"694260"	360.514467	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+K"	39.970434
"1452459"	133.494967	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H+K"	39.970434
"244342"	496.072826	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+ACN+H"	42.033826
"1217057"	269.053326	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+H"	42.033826
"1202034"	135.030301	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+2H"	43.041102
"200370"	499.01016	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Na-H"	44.97116
"636649"	726.02966	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Na-H"	44.97116
"1143080"	271.99066	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2Na-H"	44.97116
"184911"	250.008718	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Na"	45.978436
"623017"	363.518468	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Na"	45.978436
"1122511"	136.498968	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2Na"	45.978436
"1406766"	91.3350706666667	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H+2Na"	46.985712
"1441433"	274.032246	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H+HCOOH"	47.012746
"225298"	255.04174	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+3H2O+2H"	56.04448
"1519919"	288.08429	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+IsoProp+H"	61.06479
"418875"	257.995688	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+Na+K"	61.952376
"777319"	371.505438	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+Na+K"	61.952376
"1673649"	144.485938	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+K"	61.952376
"259076"	518.054768	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+ACN+Na"	64.015768
"1228503"	291.035268	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+Na"	64.015768
"1716296"	291.058793	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4+HCOOH"	64.039293
"1179338"	98.6623846666667	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+3Na"	68.967654
"1653729"	296.014188	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+HCOOH"	68.994688
"163871"	530.95804	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+2K-H"	76.91904
"600147"	757.97754	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+2K-H"	76.91904
"1093415"	303.93854	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2K-H"	76.91904
"144764"	265.982658	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"2M+2K"	77.926316
"585416"	379.492408	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"3M+2K"	77.926316
"1083300"	152.472908	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2K"	77.926316
"1114077"	305.953092	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2K+H"	78.933592
"1346086"	306.040707	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+DMSO+H"	79.021207
"1019722"	310.079876	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2ACN+H"	83.060376
"1537117"	311.073508	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+IsoProp+Na+H"	84.054008
"998096"	155.543576	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+2ACN+2H"	84.067652
"1596974"	311.988128	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+K+HCOOH"	84.968628
"1425916"	342.019638	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+H+CF3COOH"	115.000138
"1160579"	176.056851	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+3ACN+2H"	125.094202
"1711223"	359.046185	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4+CF3COOH"	132.026685
"1641405"	364.00158	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+CF3COOH"	136.98208
"1579246"	379.97552	"C03287"	"L-Glutamyl 5-phosphate;L-Glutamate 5-phosphate"	"C5H10NO7P"	"227.0195"	"M+K+CF3COOH"	152.95602
"809612"	176.0321	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M"	0
"983146"	157.01371	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"65919"	116.347457333333	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"510946"	175.024824	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"883281"	57.6700906666667	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"8418"	175.024824	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"452352"	263.040874	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"823595"	87.008774	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"80307"	351.056924	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"524244"	527.089024	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"907516"	175.024824	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"59705"	368.083471	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"493798"	544.115571	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"870504"	192.051371	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"35488"	373.038866	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"475046"	549.070966	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"853577"	197.006766	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1623111"	197.006766	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"98547"	193.013163	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"539201"	281.029213	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"937088"	104.997113	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"272365"	387.033602	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"670251"	563.065702	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1278280"	211.001502	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"20837"	389.012806	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"456874"	565.044906	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"834919"	212.980706	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1556946"	212.980706	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"942910"	221.030294	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"368882"	397.062401	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"358240"	411.078051	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1507770"	235.045951	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"973046"	243.012251	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"123901"	211.001502	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"565667"	299.017552	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1034805"	122.985452	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1254751"	254.950985	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1313916"	257.006972	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1328860"	278.988929	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"918093"	289.017686	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1296989"	324.994364	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1375150"	141.019424	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1389370"	159.0294	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"293430"	353.071476	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"685854"	529.103576	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1358558"	177.039376	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"129987"	177.039376	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"570276"	265.055426	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1041265"	89.023326	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"214635"	118.362009333333	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"649820"	177.039376	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1173416"	59.6846426666667	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"436693"	370.098023	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"794410"	546.130123	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1690740"	194.065923	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"336831"	185.5526495	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"728158"	273.5686995	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1480519"	97.5365995	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"403942"	375.053418	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"769894"	551.085518	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1617537"	199.021318	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"328545"	188.030347	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"711127"	276.046397	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1466041"	100.014297	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1054913"	67.0119566666667	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1262058"	209.065586	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"386100"	391.027358	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"750373"	567.059458	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1546958"	214.995258	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"305231"	196.017317	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"694371"	284.033367	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1453662"	108.001267	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"243359"	394.098026	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1221542"	218.065926	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1204330"	109.536601	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"200116"	397.03536	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"637853"	573.06746	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1145012"	221.00326	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"186116"	199.021318	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"627139"	287.037368	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1130522"	111.005268	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1407605"	74.3392706666667	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1443002"	223.044846	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"231604"	204.05434	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1519665"	237.09689	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"416435"	207.008288	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"779616"	295.024338	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1670479"	118.992238	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"253718"	416.079968	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1229707"	240.047868	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1715312"	240.071393	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1182853"	81.6665846666667	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1652016"	245.026788	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"163978"	428.98324	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"601355"	605.01534	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1096806"	252.95114	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"153623"	214.995258	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"594283"	303.011308	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1081345"	126.979208	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1110907"	254.965692	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1345106"	255.053307	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1015823"	259.092476	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1535040"	260.086108	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"997113"	130.049876	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1597083"	261.000728	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1426028"	291.032238	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1158502"	150.563151	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1709146"	308.058785	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1641517"	313.01418	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1579356"	328.98812	"C03289"	"L-xylo-Hexulonolactone;L-xylo-Hex-2-ulono-14-lactone"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"809723"	181.0739	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M"	0
"982162"	162.05551	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"63354"	119.708657333333	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"503060"	180.066624	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"882299"	59.3506906666667	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"505"	180.066624	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"440075"	270.603574	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"819330"	89.529674	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"79324"	361.140524	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"523989"	542.214424	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"909813"	180.066624	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"59815"	378.167071	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"493908"	559.240971	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"869521"	197.093171	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"35235"	383.122466	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"474427"	564.196366	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"850771"	202.048566	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1623221"	202.048566	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"99751"	198.054963	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"542590"	288.591913	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"935011"	107.518013	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"270289"	397.117202	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"670362"	578.191102	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1277298"	216.043302	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"18761"	399.096406	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"456007"	580.170306	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"836121"	218.022506	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1557786"	218.022506	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"943603"	226.072094	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"366807"	407.146001	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"357986"	421.161651	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1506817"	240.087751	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"973963"	248.054051	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"125336"	216.043302	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"564539"	306.580252	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1036866"	125.506352	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1256319"	259.992785	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1314025"	262.048772	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1329332"	284.030729	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"920392"	294.059486	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1298194"	330.036164	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1373074"	146.061224	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1390570"	164.0712	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"292447"	363.155076	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"685235"	544.228976	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1360125"	182.081176	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"135567"	182.081176	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"572574"	272.618126	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1041375"	91.544226	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"213652"	121.723209333333	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"647744"	182.081176	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1173162"	61.3652426666667	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"434617"	380.181623	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"794520"	561.255523	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1687570"	199.107723	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"333661"	190.5944495	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"727175"	281.1313995	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1482088"	100.0574995	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"406239"	385.137018	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"769182"	566.210918	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1615336"	204.063118	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"327562"	193.072147	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"713424"	283.609097	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1468338"	102.535197	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1058303"	68.6925566666667	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1262168"	214.107386	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"387303"	401.110958	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"748296"	582.184858	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1545976"	220.037058	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"304248"	201.059117	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"695575"	291.596067	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1452679"	110.522167	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"242376"	404.181626	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1222018"	223.107726	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1205534"	112.057501	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"198404"	407.11896	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"640150"	588.19286	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1144030"	226.04506	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"184040"	204.063118	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"626883"	294.600068	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1127471"	113.526168	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1409172"	76.0198706666667	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1442747"	228.086646	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"229527"	209.09614	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1519409"	242.13869	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"417637"	212.050088	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"779726"	302.587038	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1673869"	121.513138	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"254921"	426.163568	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1230911"	245.089668	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1716516"	245.113193	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1184056"	83.3471846666667	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1656135"	250.068588	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"165181"	439.06684	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"602558"	620.14074	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1099106"	257.99294	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"155198"	220.037058	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"595364"	310.574008	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1082185"	129.500108	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1111018"	260.007492	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1347403"	260.095107	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1017025"	264.134276	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1536243"	265.127908	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"996130"	132.570776	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1591725"	266.042528	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1415439"	296.074038	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1160798"	153.084051	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1709256"	313.100585	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1641627"	318.05598	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1582746"	334.02992	"C03290"	"L-threo-3-Phenylserine"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"810927"	230.0192	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"981179"	211.00081	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"62958"	152.338857333333	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"503513"	229.011924	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"880056"	75.6657906666667	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"372"	229.011924	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"440786"	344.021524	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"820533"	114.002324	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"82714"	459.031124	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"524464"	689.050324	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"907736"	229.011924	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"58832"	476.057671	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"492924"	706.076871	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"870724"	246.038471	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"33521"	481.013066	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"473080"	711.032266	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"854891"	250.993866	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1623331"	250.993866	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"98767"	247.000263	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"541607"	362.009863	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"936215"	131.990663	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"271491"	495.007802	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"668285"	725.027002	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1277408"	264.988602	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"22151"	496.987006	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"455760"	727.006206	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"834167"	266.967806	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1557531"	266.967806	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"944322"	275.017394	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"369103"	505.036601	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"360900"	519.052251	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1507903"	289.033051	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"973259"	296.999351	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"125608"	264.988602	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"564768"	379.998202	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1035392"	149.979002	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1255333"	308.938085	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1316686"	310.994072	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1334183"	332.976029	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"918315"	343.004786	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1295023"	378.981464	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1375373"	195.006524	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1389590"	213.0165	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"290370"	461.045676	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"686074"	691.064876	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1360237"	231.026476	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"133126"	231.026476	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"572685"	346.036076	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1038933"	116.016876	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"215950"	154.353409333333	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"651135"	231.026476	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1172908"	77.6803426666667	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"436914"	478.072223	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"794630"	708.091423	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1686587"	248.053023	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"333771"	239.5397495	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"729472"	354.5493495	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1484385"	124.5301495	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"407200"	483.027618	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"768442"	713.046818	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1614352"	253.008418	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"326577"	242.017447	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"712805"	357.027047	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1467353"	127.007847	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1056590"	85.0076566666667	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1262278"	263.052686	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"384132"	499.001558	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"745125"	729.020758	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1546086"	268.982358	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"306545"	250.004417	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"693498"	365.014017	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1451695"	134.994817	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"241393"	502.072226	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1222857"	272.053026	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1205644"	136.530151	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"196328"	505.00956	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"635886"	735.02876	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1144138"	274.99036	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"185242"	253.008418	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"626993"	368.018018	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1129040"	137.998818	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1413617"	92.3349706666667	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1445500"	277.031946	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"231460"	258.04144	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1519520"	291.08399	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"416655"	260.995388	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"779836"	376.004988	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1675073"	145.985788	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"257218"	524.054168	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1233207"	294.034968	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1717719"	294.058493	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1184166"	99.6622846666667	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1654059"	299.013888	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"160919"	536.95744	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"601575"	766.97664	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1099339"	306.93824	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"156399"	268.982358	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"594502"	383.991958	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1080103"	153.972758	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1112221"	308.952792	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1347513"	309.040407	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1017135"	313.079576	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1534166"	314.073208	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"999520"	157.043426	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1594022"	314.987828	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1416401"	345.019338	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1153250"	177.556701	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1710459"	362.045885	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1645017"	367.00128	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1582856"	382.97522	"C03291"	"L-Xylulose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"812130"	352.1457	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M"	0
"980196"	333.12731	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-H2O-H"	-19.01839
"63247"	233.756524	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M-3H"	-3.021828
"506904"	351.138424	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M-3H"	-3.021828
"880574"	116.374624	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-3H"	-3.021828
"438"	351.138424	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M-2H"	-2.014552
"440772"	527.211274	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M-2H"	-2.014552
"820639"	175.065574	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-2H"	-2.014552
"86104"	703.284124	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M-H"	-1.007276
"524574"	1055.429824	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M-H"	-1.007276
"907482"	351.138424	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-H"	-1.007276
"56755"	720.310671	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M-2H+NH4"	16.019271
"491941"	1072.456371	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M-2H+NH4"	16.019271
"869741"	368.164971	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-2H+NH4"	16.019271
"34361"	725.266066	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M-2H+Na"	20.974666
"472217"	1077.411766	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M-2H+Na"	20.974666
"855001"	373.120366	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-2H+Na"	20.974666
"1620161"	373.120366	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Na-2H"	20.974666
"99970"	369.126763	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M-H+Cl"	33.962126
"538436"	545.199613	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M-H+Cl"	33.962126
"935231"	193.053913	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-H+Cl"	33.962126
"270507"	739.260802	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+Cl"	34.969402
"668395"	1091.406502	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+Cl"	34.969402
"1277518"	387.115102	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Cl"	34.969402
"22261"	741.240006	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M-2H+K"	36.948606
"456717"	1093.385706	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M-2H+K"	36.948606
"834275"	389.094306	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-2H+K"	36.948606
"1556914"	389.094306	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+K-2H"	36.948606
"946619"	397.143894	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-H+HCOOH"	44.998194
"367028"	749.289601	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+HCOOH-H"	44.998201
"360888"	763.305251	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+Hac-H"	59.013851
"1505216"	411.159551	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Hac-H"	59.013851
"970942"	419.125851	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-H+NaCOOH"	66.980151
"123860"	387.115102	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+2Cl"	69.938804
"564149"	563.187952	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+2Cl"	69.938804
"1036234"	211.042252	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2Cl"	69.938804
"1256055"	431.064585	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Br"	78.918885
"1313150"	433.120572	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Cl+HCOOH"	80.974872
"1333929"	455.102529	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Cl+NaCOOH"	102.956829
"918426"	465.131286	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M-H+CF3COOH"	112.985586
"1295133"	501.107964	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Cl+CF3COOH"	148.962264
"1374390"	317.133024	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H-2H2O"	-35.012676
"1389700"	335.143	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H-H2O"	-17.0027
"289384"	705.298676	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+H"	1.007276
"686549"	1057.444376	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+H"	1.007276
"1361076"	353.152976	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H"	1.007276
"134694"	353.152976	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+2H"	2.014552
"570608"	529.225826	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+2H"	2.014552
"1038679"	177.080126	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2H"	2.014552
"214237"	235.771076	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+3H"	3.021828
"649058"	353.152976	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+3H"	3.021828
"1173382"	118.389176	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+3H"	3.021828
"438117"	722.325223	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+NH4"	18.033823
"796927"	1074.470923	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+NH4"	18.033823
"1687790"	370.179523	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+NH4"	18.033823
"333881"	361.6662495	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+H+NH4"	19.041099
"732862"	537.7390995	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+H+NH4"	19.041099
"1484495"	185.5933995	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H+NH4"	19.041099
"408285"	727.280618	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+Na"	22.989218
"769281"	1079.426318	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+Na"	22.989218
"1617620"	375.134918	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Na"	22.989218
"326686"	364.143947	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+H+Na"	23.996494
"716924"	540.216797	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+H+Na"	23.996494
"1468557"	188.071097	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H+Na"	23.996494
"1058524"	125.71649	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2H+Na"	25.00377
"1263481"	385.179186	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+CH3OH+H"	33.033486
"385334"	743.254558	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+K"	38.963158
"741955"	1095.400258	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+K"	38.963158
"1548383"	391.108858	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+K"	38.963158
"307748"	372.130917	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+H+K"	39.970434
"694702"	548.203767	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+H+K"	39.970434
"1450712"	196.058067	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H+K"	39.970434
"242596"	746.325226	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+ACN+H"	42.033826
"1221875"	394.179526	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+ACN+H"	42.033826
"1204661"	197.593401	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+ACN+2H"	43.041102
"195345"	749.26256	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+2Na-H"	44.97116
"638912"	1101.40826	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+2Na-H"	44.97116
"1143882"	397.11686	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2Na-H"	44.97116
"185352"	375.134918	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+2Na"	45.978436
"627103"	551.207768	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+2Na"	45.978436
"1130243"	199.062068	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2Na"	45.978436
"1414013"	133.043804	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H+2Na"	46.985712
"1445563"	399.158446	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H+HCOOH"	47.012746
"230841"	380.16794	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+3H2O+2H"	56.04448
"1519265"	413.21049	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+IsoProp+H"	61.06479
"414578"	383.121888	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+Na+K"	61.952376
"776666"	559.194738	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+Na+K"	61.952376
"1671903"	207.049038	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Na+K"	61.952376
"256235"	768.307168	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+ACN+Na"	64.015768
"1231131"	416.161468	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+ACN+Na"	64.015768
"1715643"	416.184993	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+NH4+HCOOH"	64.039293
"1183183"	140.371118	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+3Na"	68.967654
"1653076"	421.140388	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Na+HCOOH"	68.994688
"162121"	781.21044	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+2K-H"	76.91904
"599498"	1133.35614	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+2K-H"	76.91904
"1097136"	429.06474	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2K-H"	76.91904
"152860"	391.108858	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"2M+2K"	77.926316
"589139"	567.181708	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"3M+2K"	77.926316
"1080213"	215.036008	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2K"	77.926316
"1109052"	431.079292	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2K+H"	78.933592
"1347260"	431.166907	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+DMSO+H"	79.021207
"1013964"	435.206076	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2ACN+H"	83.060376
"1534276"	436.199708	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+IsoProp+Na+H"	84.054008
"999630"	218.106676	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+2ACN+2H"	84.067652
"1594132"	437.114328	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+K+HCOOH"	84.968628
"1418698"	467.145838	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+H+CF3COOH"	115.000138
"1154454"	238.619951	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+3ACN+2H"	125.094202
"1710569"	484.172385	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+NH4+CF3COOH"	132.026685
"1645127"	489.12778	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+Na+CF3COOH"	136.98208
"1579686"	505.10172	"C03292"	"Mercaptoacetyl-Phe-Leu"	"C17H24N2O4S"	"352.1457"	"M+K+CF3COOH"	152.95602
"811147"	466.1002	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M"	0
"981399"	447.08181	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-H2O-H"	-19.01839
"63927"	309.726190666667	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M-3H"	-3.021828
"508107"	465.092924	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M-3H"	-3.021828
"881048"	154.359457333333	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-3H"	-3.021828
"1443"	465.092924	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M-2H"	-2.014552
"442949"	698.143024	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M-2H"	-2.014552
"820749"	232.042824	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-2H"	-2.014552
"86214"	931.193124	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M-H"	-1.007276
"521404"	1397.293324	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M-H"	-1.007276
"907592"	465.092924	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-H"	-1.007276
"55772"	948.219671	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M-2H+NH4"	16.019271
"492051"	1414.319871	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M-2H+NH4"	16.019271
"869851"	482.119471	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-2H+NH4"	16.019271
"34471"	953.175066	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M-2H+Na"	20.974666
"474029"	1419.275266	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M-2H+Na"	20.974666
"855111"	487.074866	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-2H+Na"	20.974666
"1624644"	487.074866	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Na-2H"	20.974666
"100080"	483.081263	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M-H+Cl"	33.962126
"541827"	716.131363	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M-H+Cl"	33.962126
"936434"	250.031163	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-H+Cl"	33.962126
"270617"	967.169802	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+Cl"	34.969402
"666318"	1433.270002	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+Cl"	34.969402
"1275442"	501.069602	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Cl"	34.969402
"20184"	969.149006	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M-2H+K"	36.948606
"457679"	1435.249206	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M-2H+K"	36.948606
"835359"	503.048806	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-2H+K"	36.948606
"1558847"	503.048806	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+K-2H"	36.948606
"947822"	511.098394	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-H+HCOOH"	44.998194
"364951"	977.198601	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+HCOOH-H"	44.998201
"360512"	991.214251	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+Hac-H"	59.013851
"1506418"	525.114051	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Hac-H"	59.013851
"971780"	533.080351	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-H+NaCOOH"	66.980151
"123605"	501.069602	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+2Cl"	69.938804
"563895"	734.119702	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+2Cl"	69.938804
"1034515"	268.019502	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2Cl"	69.938804
"1253729"	545.019085	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Br"	78.918885
"1313260"	547.075072	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Cl+HCOOH"	80.974872
"1331121"	569.057029	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Cl+NaCOOH"	102.956829
"917442"	579.085786	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M-H+CF3COOH"	112.985586
"1294149"	615.062464	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Cl+CF3COOH"	148.962264
"1374500"	431.087524	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H-2H2O"	-35.012676
"1389810"	449.0975	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H-H2O"	-17.0027
"288400"	933.207676	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+H"	1.007276
"688482"	1399.307876	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+H"	1.007276
"1361915"	467.107476	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H"	1.007276
"134075"	467.107476	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+2H"	2.014552
"570718"	700.157576	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+2H"	2.014552
"1039518"	234.057376	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2H"	2.014552
"210700"	311.740742666667	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+3H"	3.021828
"649168"	467.107476	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+3H"	3.021828
"1173128"	156.374009333333	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+3H"	3.021828
"439875"	950.234223	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+NH4"	18.033823
"798130"	1416.334423	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+NH4"	18.033823
"1694460"	484.134023	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+NH4"	18.033823
"333991"	475.6207495	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+H+NH4"	19.041099
"730785"	708.6708495	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+H+NH4"	19.041099
"1483511"	242.5706495	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H+NH4"	19.041099
"408277"	955.189618	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+Na"	22.989218
"769389"	1421.289818	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+Na"	22.989218
"1616757"	489.089418	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Na"	22.989218
"326796"	478.098447	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+H+Na"	23.996494
"720315"	711.148547	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+H+Na"	23.996494
"1471947"	245.048347	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H+Na"	23.996494
"1059726"	163.701323333333	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2H+Na"	25.00377
"1264684"	499.133686	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+CH3OH+H"	33.033486
"388724"	971.163558	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+K"	38.963158
"747534"	1437.263758	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+K"	38.963158
"1547397"	505.063358	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+K"	38.963158
"306765"	486.085417	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+H+K"	39.970434
"695904"	719.135517	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+H+K"	39.970434
"1448634"	253.035317	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H+K"	39.970434
"240517"	974.234226	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+ACN+H"	42.033826
"1222348"	508.134026	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+ACN+H"	42.033826
"1203678"	254.570651	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+ACN+2H"	43.041102
"197641"	977.17156	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+2Na-H"	44.97116
"640479"	1443.27176	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+2Na-H"	44.97116
"1143992"	511.07136	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2Na-H"	44.97116
"185095"	489.089418	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+2Na"	45.978436
"627582"	722.139518	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+2Na"	45.978436
"1131088"	256.039318	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2Na"	45.978436
"1413396"	171.028637333333	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H+2Na"	46.985712
"1444785"	513.112946	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H+HCOOH"	47.012746
"233503"	494.12244	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+3H2O+2H"	56.04448
"1517188"	527.16499	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+IsoProp+H"	61.06479
"415781"	497.076388	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+Na+K"	61.952376
"776776"	730.126488	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+Na+K"	61.952376
"1672013"	264.026288	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Na+K"	61.952376
"256345"	996.216168	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+ACN+Na"	64.015768
"1231241"	530.115968	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+ACN+Na"	64.015768
"1715753"	530.139493	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+NH4+HCOOH"	64.039293
"1183293"	178.355951333333	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+3Na"	68.967654
"1653186"	535.094888	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Na+HCOOH"	68.994688
"162231"	1009.11944	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+2K-H"	76.91904
"602888"	1475.21964	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+2K-H"	76.91904
"1093966"	543.01924	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2K-H"	76.91904
"153699"	505.063358	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"2M+2K"	77.926316
"589249"	738.113458	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"3M+2K"	77.926316
"1080323"	272.013258	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2K"	77.926316
"1111348"	545.033792	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2K+H"	78.933592
"1346640"	545.121407	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+DMSO+H"	79.021207
"1012981"	549.160576	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2ACN+H"	83.060376
"1533293"	550.154208	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+IsoProp+Na+H"	84.054008
"999740"	275.083926	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+2ACN+2H"	84.067652
"1592055"	551.068828	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+K+HCOOH"	84.968628
"1418808"	581.100338	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+H+CF3COOH"	115.000138
"1154564"	295.597201	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+3ACN+2H"	125.094202
"1710679"	598.126885	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+NH4+CF3COOH"	132.026685
"1647424"	603.08228	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+Na+CF3COOH"	136.98208
"1579796"	619.05622	"C03293"	"N-Adenylylanthranilate"	"C17H19N6O8P"	"466.1002"	"M+K+CF3COOH"	152.95602
"806882"	274.1277	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M"	0
"983697"	255.10931	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-H2O-H"	-19.01839
"67564"	181.744524	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M-3H"	-3.021828
"507123"	273.120424	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M-3H"	-3.021828
"886017"	90.368624	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-3H"	-3.021828
"5687"	273.120424	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M-2H"	-2.014552
"445247"	410.184274	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M-2H"	-2.014552
"819766"	136.056574	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-2H"	-2.014552
"87422"	547.248124	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M-H"	-1.007276
"530264"	821.375824	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M-H"	-1.007276
"904787"	273.120424	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-H"	-1.007276
"55881"	564.274671	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M-2H+NH4"	16.019271
"493256"	838.402371	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M-2H+NH4"	16.019271
"868869"	290.146971	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-2H+NH4"	16.019271
"34582"	569.230066	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M-2H+Na"	20.974666
"471871"	843.357766	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M-2H+Na"	20.974666
"849753"	295.102366	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-2H+Na"	20.974666
"1619289"	295.102366	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Na-2H"	20.974666
"100191"	291.108763	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M-H+Cl"	33.962126
"536472"	428.172613	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M-H+Cl"	33.962126
"935453"	154.044913	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-H+Cl"	33.962126
"268544"	583.224802	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+Cl"	34.969402
"665336"	857.352502	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+Cl"	34.969402
"1274460"	309.097102	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Cl"	34.969402
"18109"	585.204006	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M-2H+K"	36.948606
"457424"	859.331706	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M-2H+K"	36.948606
"833402"	311.076306	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-2H+K"	36.948606
"1555837"	311.076306	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+K-2H"	36.948606
"943807"	319.125894	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-H+HCOOH"	44.998194
"370531"	593.253601	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+HCOOH-H"	44.998201
"360743"	607.269251	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+Hac-H"	59.013851
"1506897"	333.141551	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Hac-H"	59.013851
"973720"	341.107851	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-H+NaCOOH"	66.980151
"124444"	309.097102	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+2Cl"	69.938804
"565567"	446.160952	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+2Cl"	69.938804
"1033166"	172.033252	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2Cl"	69.938804
"1252744"	353.046585	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Br"	78.918885
"1317745"	355.102572	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Cl+HCOOH"	80.974872
"1327585"	377.084529	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Cl+NaCOOH"	102.956829
"917552"	387.113286	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M-H+CF3COOH"	112.985586
"1298636"	423.089964	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Cl+CF3COOH"	148.962264
"1373517"	239.115024	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H-2H2O"	-35.012676
"1392109"	257.125	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H-H2O"	-17.0027
"292161"	549.262676	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+H"	1.007276
"684948"	823.390376	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+H"	1.007276
"1360205"	275.134976	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H"	1.007276
"132363"	275.134976	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+2H"	2.014552
"570829"	412.198826	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+2H"	2.014552
"1040722"	138.071126	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2H"	2.014552
"210811"	183.759076	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+3H"	3.021828
"656936"	275.134976	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+3H"	3.021828
"1177742"	92.383176	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+3H"	3.021828
"439191"	566.289223	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+NH4"	18.033823
"799334"	840.416923	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+NH4"	18.033823
"1688011"	292.161523	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+NH4"	18.033823
"339569"	283.6482495	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+H+NH4"	19.041099
"737460"	420.7120995	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+H+NH4"	19.041099
"1490188"	146.5843995	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H+NH4"	19.041099
"402307"	571.244618	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+Na"	22.989218
"766585"	845.372318	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+Na"	22.989218
"1610311"	297.116918	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Na"	22.989218
"324723"	286.125947	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+H+Na"	23.996494
"711677"	423.189797	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+H+Na"	23.996494
"1468778"	149.062097	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H+Na"	23.996494
"1056554"	99.71049	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2H+Na"	25.00377
"1261514"	307.161186	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+CH3OH+H"	33.033486
"386649"	587.218558	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+K"	38.963158
"747645"	861.346258	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+K"	38.963158
"1544231"	313.090858	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+K"	38.963158
"300317"	294.112917	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+H+K"	39.970434
"698207"	431.176767	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+H+K"	39.970434
"1459328"	157.049067	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H+K"	39.970434
"248293"	590.289226	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+ACN+H"	42.033826
"1222827"	316.161526	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+ACN+H"	42.033826
"1208290"	158.584401	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+ACN+2H"	43.041102
"201034"	593.22656	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+2Na-H"	44.97116
"641696"	867.35426	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+2Na-H"	44.97116
"1142287"	319.09886	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2Na-H"	44.97116
"184118"	297.116918	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+2Na"	45.978436
"626230"	434.180768	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+2Na"	45.978436
"1130347"	160.053068	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2Na"	45.978436
"1412534"	107.037804	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H+2Na"	46.985712
"1443919"	321.140446	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H+HCOOH"	47.012746
"233979"	302.14994	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+3H2O+2H"	56.04448
"1522042"	335.19249	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+IsoProp+H"	61.06479
"415891"	305.103888	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+Na+K"	61.952376
"780167"	442.167738	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+Na+K"	61.952376
"1674311"	168.040038	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Na+K"	61.952376
"260831"	612.271168	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+ACN+Na"	64.015768
"1234632"	338.143468	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+ACN+Na"	64.015768
"1721331"	338.166993	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+NH4+HCOOH"	64.039293
"1182676"	114.365118	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+3Na"	68.967654
"1652568"	343.122388	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Na+HCOOH"	68.994688
"164535"	625.17444	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+2K-H"	76.91904
"610660"	899.30214	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+2K-H"	76.91904
"1095902"	351.04674	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2K-H"	76.91904
"150896"	313.090858	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"2M+2K"	77.926316
"593010"	450.154708	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"3M+2K"	77.926316
"1081171"	176.027008	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2K"	77.926316
"1112557"	353.061292	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2K+H"	78.933592
"1349308"	353.148907	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+DMSO+H"	79.021207
"1017834"	357.188076	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2ACN+H"	83.060376
"1535594"	358.181708	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+IsoProp+Na+H"	84.054008
"999854"	179.097676	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+2ACN+2H"	84.067652
"1599827"	359.096328	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+K+HCOOH"	84.968628
"1425485"	389.127838	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+H+CF3COOH"	115.000138
"1157961"	199.610951	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+3ACN+2H"	125.094202
"1707509"	406.154385	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+NH4+CF3COOH"	132.026685
"1645345"	411.10978	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+Na+CF3COOH"	136.98208
"1583187"	427.08372	"C03296"	"N2-Succinyl-L-arginine;(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid"	"C10H18N4O5"	"274.1277"	"M+K+CF3COOH"	152.95602
"803712"	169.0851	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M"	0
"974476"	150.06671	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-H2O-H"	-19.01839
"68766"	111.716124	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M-3H"	-3.021828
"505047"	168.077824	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M-3H"	-3.021828
"885034"	55.354424	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-3H"	-3.021828
"2515"	168.077824	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M-2H"	-2.014552
"443168"	252.620374	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M-2H"	-2.014552
"829730"	83.535274	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-2H"	-2.014552
"88631"	337.162924	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M-H"	-1.007276
"530375"	506.248024	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M-H"	-1.007276
"901615"	168.077824	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-H"	-1.007276
"49432"	354.189471	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M-2H+NH4"	16.019271
"489112"	523.274571	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M-2H+NH4"	16.019271
"864481"	185.104371	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-2H+NH4"	16.019271
"33720"	359.144866	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M-2H+Na"	20.974666
"471404"	528.229966	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M-2H+Na"	20.974666
"848684"	190.059766	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-2H+Na"	20.974666
"1618583"	190.059766	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Na-2H"	20.974666
"94284"	186.066163	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M-H+Cl"	33.962126
"534678"	270.608713	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M-H+Cl"	33.962126
"927174"	101.523613	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-H+Cl"	33.962126
"273027"	373.139602	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+Cl"	34.969402
"664352"	542.224702	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+Cl"	34.969402
"1277848"	204.054502	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Cl"	34.969402
"19311"	375.118806	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M-2H+K"	36.948606
"458872"	544.203906	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M-2H+K"	36.948606
"836672"	206.033706	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-2H+K"	36.948606
"1560169"	206.033706	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+K-2H"	36.948606
"956801"	214.083294	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-H+HCOOH"	44.998194
"375017"	383.168401	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+HCOOH-H"	44.998201
"355618"	397.184051	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+Hac-H"	59.013851
"1507011"	228.098951	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Hac-H"	59.013851
"972364"	236.065251	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-H+NaCOOH"	66.980151
"123461"	204.054502	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+2Cl"	69.938804
"561929"	288.597052	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+2Cl"	69.938804
"1032914"	119.511952	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2Cl"	69.938804
"1248843"	248.003985	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Br"	78.918885
"1312385"	250.059972	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Cl+HCOOH"	80.974872
"1327695"	272.041929	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Cl+NaCOOH"	102.956829
"918758"	282.070686	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M-H+CF3COOH"	112.985586
"1296560"	318.047364	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Cl+CF3COOH"	148.962264
"1376911"	134.072424	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H-2H2O"	-35.012676
"1393315"	152.0824	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H-H2O"	-17.0027
"294825"	339.177476	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+H"	1.007276
"684694"	508.262576	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+H"	1.007276
"1361408"	170.092376	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H"	1.007276
"128099"	170.092376	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+2H"	2.014552
"573858"	254.634926	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+2H"	2.014552
"1043020"	85.549826	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2H"	2.014552
"209834"	113.730676	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+3H"	3.021828
"658393"	170.092376	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+3H"	3.021828
"1176272"	57.368976	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+3H"	3.021828
"437357"	356.204023	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+NH4"	18.033823
"796165"	525.289123	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+NH4"	18.033823
"1688122"	187.118923	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+NH4"	18.033823
"334211"	178.6056495	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+H+NH4"	19.041099
"729914"	263.1481995	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+H+NH4"	19.041099
"1483736"	94.0630995	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H+NH4"	19.041099
"407399"	361.159418	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+Na"	22.989218
"764509"	530.244518	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+Na"	22.989218
"1614795"	192.074318	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Na"	22.989218
"327021"	181.083347	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+H+Na"	23.996494
"718345"	265.625897	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+H+Na"	23.996494
"1473263"	96.540797	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H+Na"	23.996494
"1064320"	64.69629	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2H+Na"	25.00377
"1269278"	202.118586	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+CH3OH+H"	33.033486
"387851"	377.133358	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+K"	38.963158
"739009"	546.218458	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+K"	38.963158
"1545436"	208.048258	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+K"	38.963158
"301518"	189.070317	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+H+K"	39.970434
"696130"	273.612867	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+H+K"	39.970434
"1460169"	104.527767	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H+K"	39.970434
"249861"	380.204026	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+ACN+H"	42.033826
"1224151"	211.118926	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+ACN+H"	42.033826
"1207545"	106.063101	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+ACN+2H"	43.041102
"201516"	383.14136	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+2Na-H"	44.97116
"635243"	552.22646	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+2Na-H"	44.97116
"1137657"	214.05626	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2Na-H"	44.97116
"184228"	192.074318	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+2Na"	45.978436
"624882"	276.616868	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+2Na"	45.978436
"1126199"	107.531768	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2Na"	45.978436
"1413004"	72.023604	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H+2Na"	46.985712
"1440015"	216.097846	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H+HCOOH"	47.012746
"225701"	197.10734	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+3H2O+2H"	56.04448
"1516314"	230.14989	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+IsoProp+H"	61.06479
"414906"	200.061288	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+Na+K"	61.952376
"775900"	284.603838	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+Na+K"	61.952376
"1672231"	115.518738	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Na+K"	61.952376
"254741"	402.185968	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+ACN+Na"	64.015768
"1229272"	233.100868	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+ACN+Na"	64.015768
"1715971"	233.124393	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+NH4+HCOOH"	64.039293
"1180230"	79.350918	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+3Na"	68.967654
"1651586"	238.079788	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Na+HCOOH"	68.994688
"162821"	415.08924	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+2K-H"	76.91904
"604206"	584.17434	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+2K-H"	76.91904
"1099053"	246.00414	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2K-H"	76.91904
"155383"	208.048258	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"2M+2K"	77.926316
"595191"	292.590808	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"3M+2K"	77.926316
"1082011"	123.505708	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2K"	77.926316
"1113763"	248.018692	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2K+H"	78.933592
"1350508"	248.106307	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+DMSO+H"	79.021207
"1018672"	252.145476	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2ACN+H"	83.060376
"1537891"	253.139108	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+IsoProp+Na+H"	84.054008
"1002148"	126.576376	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+2ACN+2H"	84.067652
"1598842"	254.053728	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+K+HCOOH"	84.968628
"1425596"	284.085238	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+H+CF3COOH"	115.000138
"1160254"	147.089651	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+3ACN+2H"	125.094202
"1704337"	301.111785	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+NH4+CF3COOH"	132.026685
"1647284"	306.06718	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+Na+CF3COOH"	136.98208
"1580018"	322.04112	"C03298"	"Nalpha-Methylhistidine;N-Methyl-L-histidine"	"C7H11N3O2"	"169.0851"	"M+K+CF3COOH"	152.95602
"810384"	315.241	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M"	0
"974925"	296.22261	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-H2O-H"	-19.01839
"63448"	209.153390666667	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M-3H"	-3.021828
"503171"	314.233724	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M-3H"	-3.021828
"880198"	104.073057333333	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-3H"	-3.021828
"5904"	314.233724	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M-2H"	-2.014552
"444371"	471.854224	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M-2H"	-2.014552
"826560"	156.613224	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-2H"	-2.014552
"89834"	629.474724	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M-H"	-1.007276
"528301"	944.715724	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M-H"	-1.007276
"900634"	314.233724	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-H"	-1.007276
"55010"	646.501271	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M-2H+NH4"	16.019271
"489102"	961.742271	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M-2H+NH4"	16.019271
"864712"	331.260271	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-2H+NH4"	16.019271
"31476"	651.456666	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M-2H+Na"	20.974666
"471400"	966.697666	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M-2H+Na"	20.974666
"848517"	336.215666	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-2H+Na"	20.974666
"1618478"	336.215666	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Na-2H"	20.974666
"94407"	332.222063	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M-H+Cl"	33.962126
"534828"	489.842563	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M-H+Cl"	33.962126
"927165"	174.601563	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-H+Cl"	33.962126
"268763"	665.451402	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+Cl"	34.969402
"661306"	980.692402	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+Cl"	34.969402
"1272892"	350.210402	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Cl"	34.969402
"16382"	667.430606	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M-2H+K"	36.948606
"456062"	982.671606	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M-2H+K"	36.948606
"833011"	352.189606	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-2H+K"	36.948606
"1559186"	352.189606	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+K-2H"	36.948606
"956184"	360.239194	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-H+HCOOH"	44.998194
"372941"	675.480201	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+HCOOH-H"	44.998201
"353542"	689.495851	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+Hac-H"	59.013851
"1502377"	374.254851	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Hac-H"	59.013851
"971379"	382.221151	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-H+NaCOOH"	66.980151
"122836"	350.210402	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+2Cl"	69.938804
"564227"	507.830902	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+2Cl"	69.938804
"1031200"	192.589902	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2Cl"	69.938804
"1252600"	394.159885	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Br"	78.918885
"1315412"	396.215872	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Cl+HCOOH"	80.974872
"1328898"	418.197829	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Cl+NaCOOH"	102.956829
"917773"	428.226586	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M-H+CF3COOH"	112.985586
"1296667"	464.203264	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Cl+CF3COOH"	148.962264
"1375922"	280.228324	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H-2H2O"	-35.012676
"1394153"	298.2383	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H-H2O"	-17.0027
"289829"	631.489276	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+H"	1.007276
"684804"	946.730276	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+H"	1.007276
"1360059"	316.248276	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H"	1.007276
"126264"	316.248276	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+2H"	2.014552
"573968"	473.868776	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+2H"	2.014552
"1043130"	158.627776	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2H"	2.014552
"216505"	211.167942666667	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+3H"	3.021828
"659354"	316.248276	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+3H"	3.021828
"1175288"	106.087609333333	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+3H"	3.021828
"437468"	648.515823	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+NH4"	18.033823
"797370"	963.756823	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+NH4"	18.033823
"1694794"	333.274823	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+NH4"	18.033823
"341979"	324.7615495	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+H+NH4"	19.041099
"730024"	482.3820495	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+H+NH4"	19.041099
"1483846"	167.1410495	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H+NH4"	19.041099
"403622"	653.471218	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+Na"	22.989218
"764619"	968.712218	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+Na"	22.989218
"1614905"	338.230218	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Na"	22.989218
"322757"	327.239247	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+H+Na"	23.996494
"716271"	484.859747	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+H+Na"	23.996494
"1474466"	169.618747	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H+Na"	23.996494
"1066618"	113.414923333333	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2H+Na"	25.00377
"1271333"	348.274486	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+CH3OH+H"	33.033486
"390149"	669.445158	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+K"	38.963158
"739848"	984.686158	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+K"	38.963158
"1542265"	354.204158	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+K"	38.963158
"299443"	335.226217	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+H+K"	39.970434
"696240"	492.846717	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+H+K"	39.970434
"1457722"	177.605717	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H+K"	39.970434
"250701"	672.515826	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+ACN+H"	42.033826
"1224503"	357.274826	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+ACN+H"	42.033826
"1208019"	179.141051	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+ACN+2H"	43.041102
"202598"	675.45316	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+2Na-H"	44.97116
"639727"	990.69416	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+2Na-H"	44.97116
"1141047"	360.21216	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2Na-H"	44.97116
"184338"	338.230218	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+2Na"	45.978436
"623898"	495.850718	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+2Na"	45.978436
"1126309"	180.609718	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2Na"	45.978436
"1413723"	120.742237333333	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H+2Na"	46.985712
"1439762"	362.253746	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H+HCOOH"	47.012746
"224353"	343.26324	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+3H2O+2H"	56.04448
"1512415"	376.30579	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+IsoProp+H"	61.06479
"413194"	346.217188	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+Na+K"	61.952376
"773096"	503.837688	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+Na+K"	61.952376
"1669061"	188.596688	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Na+K"	61.952376
"254486"	694.497768	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+ACN+Na"	64.015768
"1230476"	379.256768	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+ACN+Na"	64.015768
"1717176"	379.280293	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+NH4+HCOOH"	64.039293
"1182529"	128.069551333333	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+3Na"	68.967654
"1662269"	384.235688	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Na+HCOOH"	68.994688
"169859"	707.40104	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+2K-H"	76.91904
"612341"	1022.64204	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+2K-H"	76.91904
"1098798"	392.16004	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2K-H"	76.91904
"155009"	354.204158	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"2M+2K"	77.926316
"593960"	511.824658	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"3M+2K"	77.926316
"1082848"	196.583658	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2K"	77.926316
"1113140"	394.174592	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2K+H"	78.933592
"1350621"	394.262207	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+DMSO+H"	79.021207
"1018053"	398.301376	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2ACN+H"	83.060376
"1537637"	399.295008	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+IsoProp+Na+H"	84.054008
"1004450"	199.654326	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+2ACN+2H"	84.067652
"1601867"	400.209628	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+K+HCOOH"	84.968628
"1429358"	430.241138	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+H+CF3COOH"	115.000138
"1162441"	220.167601	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+3ACN+2H"	125.094202
"1707729"	447.267685	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+NH4+CF3COOH"	132.026685
"1642290"	452.22308	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+Na+CF3COOH"	136.98208
"1580128"	468.19702	"C03299"	"O-Decanoyl-L-carnitine"	"C17H33NO4"	"315.241"	"M+K+CF3COOH"	152.95602
"802473"	351.1543	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M"	0
"976736"	332.13591	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-H2O-H"	-19.01839
"63312"	233.095590666667	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M-3H"	-3.021828
"503402"	350.147024	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M-3H"	-3.021828
"880879"	116.044157333333	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-3H"	-3.021828
"3827"	350.147024	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M-2H"	-2.014552
"441565"	525.724174	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M-2H"	-2.014552
"826670"	174.569874	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-2H"	-2.014552
"88851"	701.301324	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M-H"	-1.007276
"527318"	1052.455624	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M-H"	-1.007276
"900744"	350.147024	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-H"	-1.007276
"55120"	718.327871	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M-2H+NH4"	16.019271
"490305"	1069.482171	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M-2H+NH4"	16.019271
"864577"	367.173571	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-2H+NH4"	16.019271
"31867"	723.283266	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M-2H+Na"	20.974666
"471713"	1074.437566	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M-2H+Na"	20.974666
"848706"	372.128966	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-2H+Na"	20.974666
"1618597"	372.128966	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Na-2H"	20.974666
"94458"	368.135363	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M-H+Cl"	33.962126
"535830"	543.712513	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M-H+Cl"	33.962126
"928249"	192.558213	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-H+Cl"	33.962126
"269966"	737.278002	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+Cl"	34.969402
"661537"	1088.432302	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+Cl"	34.969402
"1273449"	386.123702	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Cl"	34.969402
"16737"	739.257206	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M-2H+K"	36.948606
"457997"	1090.411506	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M-2H+K"	36.948606
"835799"	388.102906	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-2H+K"	36.948606
"1559296"	388.102906	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+K-2H"	36.948606
"957267"	396.152494	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-H+HCOOH"	44.998194
"375237"	747.306801	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+HCOOH-H"	44.998201
"355838"	761.322451	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+Hac-H"	59.013851
"1505768"	410.168151	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Hac-H"	59.013851
"972216"	418.134451	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-H+NaCOOH"	66.980151
"123314"	386.123702	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+2Cl"	69.938804
"563609"	561.700852	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+2Cl"	69.938804
"1029488"	210.546552	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2Cl"	69.938804
"1252344"	430.073185	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Br"	78.918885
"1314793"	432.129172	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Cl+HCOOH"	80.974872
"1326822"	454.111129	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Cl+NaCOOH"	102.956829
"918975"	464.139886	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M-H+CF3COOH"	112.985586
"1297871"	500.116564	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Cl+CF3COOH"	148.962264
"1374939"	316.141624	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H-2H2O"	-35.012676
"1393534"	334.1516	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H-H2O"	-17.0027
"288846"	703.315876	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+H"	1.007276
"688557"	1054.470176	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+H"	1.007276
"1359803"	352.161576	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H"	1.007276
"127225"	352.161576	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+2H"	2.014552
"575535"	527.738726	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+2H"	2.014552
"1037324"	176.584426	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2H"	2.014552
"213335"	235.110142666667	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+3H"	3.021828
"657157"	352.161576	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+3H"	3.021828
"1177102"	118.058709333333	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+3H"	3.021828
"438066"	720.342423	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+NH4"	18.033823
"799666"	1071.496723	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+NH4"	18.033823
"1689437"	369.188123	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+NH4"	18.033823
"340996"	360.6748495	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+H+NH4"	19.041099
"737063"	536.2519995	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+H+NH4"	19.041099
"1485049"	185.0976995	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H+NH4"	19.041099
"405555"	725.297818	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+Na"	22.989218
"764729"	1076.452118	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+Na"	22.989218
"1614651"	374.143518	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Na"	22.989218
"326146"	363.152547	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+H+Na"	23.996494
"718567"	538.729697	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+H+Na"	23.996494
"1474576"	187.575397	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H+Na"	23.996494
"1066487"	125.386023333333	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2H+Na"	25.00377
"1270471"	384.187786	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+CH3OH+H"	33.033486
"390259"	741.271758	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+K"	38.963158
"753443"	1092.426058	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+K"	38.963158
"1544559"	390.117458	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+K"	38.963158
"302830"	371.139517	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+H+K"	39.970434
"692705"	546.716667	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+H+K"	39.970434
"1457827"	195.562367	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H+K"	39.970434
"249351"	744.342426	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+ACN+H"	42.033826
"1223884"	393.188126	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+ACN+H"	42.033826
"1205942"	197.097701	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+ACN+2H"	43.041102
"203679"	747.27976	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+2Na-H"	44.97116
"637650"	1098.43406	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+2Na-H"	44.97116
"1136783"	396.12546	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2Na-H"	44.97116
"180074"	374.143518	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+2Na"	45.978436
"622915"	549.720668	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+2Na"	45.978436
"1126419"	198.566368	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2Na"	45.978436
"1412375"	132.713337333333	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H+2Na"	46.985712
"1440965"	398.167046	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H+HCOOH"	47.012746
"224099"	379.17654	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+3H2O+2H"	56.04448
"1513618"	412.21909	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+IsoProp+H"	61.06479
"412575"	382.130488	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+Na+K"	61.952376
"773570"	557.707638	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+Na+K"	61.952376
"1670264"	206.553338	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Na+K"	61.952376
"254596"	766.324368	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+ACN+Na"	64.015768
"1231679"	415.170068	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+ACN+Na"	64.015768
"1718379"	415.193593	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+NH4+HCOOH"	64.039293
"1181546"	140.040651333333	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+3Na"	68.967654
"1659462"	420.148988	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Na+HCOOH"	68.994688
"161949"	779.22764	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+2K-H"	76.91904
"609532"	1130.38194	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+2K-H"	76.91904
"1098056"	428.07334	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2K-H"	76.91904
"154145"	390.117458	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"2M+2K"	77.926316
"593342"	565.694608	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"3M+2K"	77.926316
"1081865"	214.540308	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2K"	77.926316
"1109970"	430.087892	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2K+H"	78.933592
"1350365"	430.175507	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+DMSO+H"	79.021207
"1017799"	434.214676	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2ACN+H"	83.060376
"1536289"	435.208308	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+IsoProp+Na+H"	84.054008
"1004924"	217.610976	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+2ACN+2H"	84.067652
"1596872"	436.122928	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+K+HCOOH"	84.968628
"1429590"	466.154438	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+H+CF3COOH"	115.000138
"1162059"	238.124251	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+3ACN+2H"	125.094202
"1707839"	483.180985	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+NH4+CF3COOH"	132.026685
"1642400"	488.13638	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+Na+CF3COOH"	136.98208
"1580238"	504.11032	"C03300"	"O-beta-D-Xylosylzeatin;O-beta-D-Xyloxylzeatin"	"C15H21N5O5"	"351.1543"	"M+K+CF3COOH"	152.95602
"801857"	240.1263	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M"	0
"978668"	221.10791	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-H2O-H"	-19.01839
"69098"	159.076924	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M-3H"	-3.021828
"504283"	239.119024	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M-3H"	-3.021828
"880385"	79.034824	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-3H"	-3.021828
"15375"	239.119024	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M-2H"	-2.014552
"444605"	359.182174	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M-2H"	-2.014552
"831770"	119.055874	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-2H"	-2.014552
"87867"	479.245324	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M-H"	-1.007276
"527427"	719.371624	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M-H"	-1.007276
"903041"	239.119024	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-H"	-1.007276
"53043"	496.271871	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M-2H+NH4"	16.019271
"492602"	736.398171	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M-2H+NH4"	16.019271
"867122"	256.145571	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-2H+NH4"	16.019271
"32141"	501.227266	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M-2H+Na"	20.974666
"474582"	741.353566	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M-2H+Na"	20.974666
"854571"	261.100966	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-2H+Na"	20.974666
"1620822"	261.100966	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Na-2H"	20.974666
"100630"	257.107363	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M-H+Cl"	33.962126
"540192"	377.170513	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M-H+Cl"	33.962126
"931520"	137.044213	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-H+Cl"	33.962126
"272263"	515.222002	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+Cl"	34.969402
"663590"	755.348302	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+Cl"	34.969402
"1274051"	275.095702	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Cl"	34.969402
"17941"	517.201206	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M-2H+K"	36.948606
"466869"	757.327506	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M-2H+K"	36.948606
"843940"	277.074906	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-2H+K"	36.948606
"1570592"	277.074906	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+K-2H"	36.948606
"957951"	285.124494	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-H+HCOOH"	44.998194
"375724"	525.250801	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+HCOOH-H"	44.998201
"359970"	539.266451	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+Hac-H"	59.013851
"1506981"	299.140151	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Hac-H"	59.013851
"973065"	307.106451	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-H+NaCOOH"	66.980151
"119059"	275.095702	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+2Cl"	69.938804
"562990"	395.158852	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+2Cl"	69.938804
"1034341"	155.032552	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2Cl"	69.938804
"1255376"	319.045185	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Br"	78.918885
"1312721"	321.101172	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Cl+HCOOH"	80.974872
"1329124"	343.083129	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Cl+NaCOOH"	102.956829
"924558"	353.111886	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M-H+CF3COOH"	112.985586
"1300177"	389.088564	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Cl+CF3COOH"	148.962264
"1377245"	205.113624	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H-2H2O"	-35.012676
"1395834"	223.1236	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H-H2O"	-17.0027
"285678"	481.259876	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+H"	1.007276
"685755"	721.386176	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+H"	1.007276
"1366118"	241.133576	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H"	1.007276
"138276"	241.133576	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+2H"	2.014552
"580879"	361.196726	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+2H"	2.014552
"1051021"	121.070426	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2H"	2.014552
"217470"	161.091476	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+3H"	3.021828
"659698"	241.133576	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+3H"	3.021828
"1176486"	81.049376	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+3H"	3.021828
"438661"	498.286423	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+NH4"	18.033823
"796496"	738.412723	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+NH4"	18.033823
"1691732"	258.160123	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+NH4"	18.033823
"338924"	249.6468495	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+H+NH4"	19.041099
"730250"	369.7099995	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+H+NH4"	19.041099
"1478969"	129.5836995	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H+NH4"	19.041099
"400566"	503.241818	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+Na"	22.989218
"761561"	743.368118	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+Na"	22.989218
"1616221"	263.115518	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Na"	22.989218
"321883"	252.124547	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+H+Na"	23.996494
"715398"	372.187697	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+H+Na"	23.996494
"1467031"	132.061397	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H+Na"	23.996494
"1066717"	88.37669	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2H+Na"	25.00377
"1268515"	273.159786	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+CH3OH+H"	33.033486
"379072"	519.215758	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+K"	38.963158
"741161"	759.342058	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+K"	38.963158
"1551970"	279.089458	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+K"	38.963158
"313157"	260.111517	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+H+K"	39.970434
"701931"	380.174667	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+H+K"	39.970434
"1456844"	140.048367	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H+K"	39.970434
"246178"	522.286426	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+ACN+H"	42.033826
"1223634"	282.160126	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+ACN+H"	42.033826
"1198769"	141.583701	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+ACN+2H"	43.041102
"191640"	525.22376	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+2Na-H"	44.97116
"637759"	765.35006	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+2Na-H"	44.97116
"1136892"	285.09746	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2Na-H"	44.97116
"176173"	263.115518	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+2Na"	45.978436
"621930"	383.178668	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+2Na"	45.978436
"1128717"	143.052368	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2Na"	45.978436
"1403126"	95.704004	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H+2Na"	46.985712
"1435971"	287.139046	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H+HCOOH"	47.012746
"222386"	268.14854	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+3H2O+2H"	56.04448
"1512998"	301.19109	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+IsoProp+H"	61.06479
"412684"	271.102488	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+Na+K"	61.952376
"774774"	391.165638	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+Na+K"	61.952376
"1671468"	151.039338	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Na+K"	61.952376
"261269"	544.268368	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+ACN+Na"	64.015768
"1235072"	304.142068	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+ACN+Na"	64.015768
"1719589"	304.165593	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+NH4+HCOOH"	64.039293
"1189316"	103.031318	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+3Na"	68.967654
"1662129"	309.120988	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Na+HCOOH"	68.994688
"167531"	557.17164	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+2K-H"	76.91904
"602354"	797.29794	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+2K-H"	76.91904
"1097800"	317.04534	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2K-H"	76.91904
"153887"	279.089458	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"2M+2K"	77.926316
"595272"	399.152608	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"3M+2K"	77.926316
"1081243"	159.026308	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2K"	77.926316
"1114333"	319.059892	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2K+H"	78.933592
"1349991"	319.147507	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+DMSO+H"	79.021207
"1019002"	323.186676	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2ACN+H"	83.060376
"1537127"	324.180308	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+IsoProp+Na+H"	84.054008
"1003212"	162.096976	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+2ACN+2H"	84.067652
"1599171"	325.094928	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+K+HCOOH"	84.968628
"1426654"	355.126438	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+H+CF3COOH"	115.000138
"1157309"	182.610251	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+3ACN+2H"	125.094202
"1709048"	372.152985	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+NH4+CF3COOH"	132.026685
"1645792"	377.10838	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+Na+CF3COOH"	136.98208
"1580350"	393.08232	"C03305"	"Prolyl-2-naphthylamide"	"C15H16N2O"	"240.1263"	"M+K+CF3COOH"	152.95602
"804155"	368.1736	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M"	0
"977688"	349.15521	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"64107"	244.441790666667	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"504399"	367.166324	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"892049"	121.717257333333	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"9529"	367.166324	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"443622"	551.253124	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"830539"	183.079524	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"89070"	735.339924	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"524257"	1103.513524	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"904244"	367.166324	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"54246"	752.366471	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"491616"	1120.540071	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"864913"	384.192871	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"32336"	757.321866	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"480159"	1125.495466	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"852494"	389.148266	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1624212"	389.148266	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"109125"	385.154663	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"545768"	569.241463	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"936003"	201.067863	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"275652"	771.316602	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"662002"	1139.490202	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1276106"	403.143002	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"29607"	773.295806	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"469895"	1141.469406	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"844416"	405.122206	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1571137"	405.122206	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"957977"	413.171794	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"375101"	781.345401	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"359348"	795.361051	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1504906"	427.187451	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"970259"	435.153751	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"122447"	403.143002	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"561639"	587.229802	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1030802"	219.056202	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1249285"	447.092485	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1315744"	449.148472	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1330323"	471.130429	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"926131"	481.159186	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1300285"	517.135864	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1378448"	333.160924	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1385009"	351.1709	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"284325"	737.354476	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"678935"	1105.528076	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1364037"	369.180876	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"140576"	369.180876	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"579048"	553.267676	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1052221"	185.094076	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"215747"	246.456342666667	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"656400"	369.180876	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1176710"	123.731809333333	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"436703"	754.381023	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"795512"	1122.554623	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1692938"	386.207423	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"343407"	377.6941495	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"735828"	561.7809495	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1484182"	193.6073495	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"399580"	759.336418	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"763860"	1127.510018	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1608678"	391.162818	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"318715"	380.171847	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"711135"	564.258647	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1467141"	196.085047	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1062572"	131.059123333333	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1260609"	401.207086	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"382831"	775.310358	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"750756"	1143.483958	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1550257"	407.136758	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"313151"	388.158817	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"706704"	572.245617	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1460247"	204.072017	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"246660"	778.381026	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1216088"	410.207426	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1202158"	205.607351	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"192842"	781.31836	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"633497"	1149.49196	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1143562"	413.14476	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"180292"	391.162818	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"624592"	575.249618	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1127732"	207.076018	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1405789"	138.386437333333	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1434988"	415.186346	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"224319"	396.19584	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1510921"	429.23839	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"412430"	399.149788	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"771238"	583.236588	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1669756"	215.062988	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"262475"	800.362968	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1234092"	432.189368	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1717874"	432.212893	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1190526"	145.713751333333	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1656041"	437.168288	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"157796"	813.26624	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"597243"	1181.43984	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1089159"	445.09264	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"144884"	407.136758	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"584446"	591.223558	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1078072"	223.049958	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1112375"	447.107192	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1346206"	447.194807	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1016560"	451.233976	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1535415"	452.227608	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"1004050"	226.120626	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1597094"	453.142228	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1422759"	483.173738	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1154139"	246.633901	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1709159"	500.200285	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1642622"	505.15568	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1580461"	521.12962	"C03309"	"Strictosidine aglycone"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"802441"	123.0143	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M"	0
"975611"	103.99591	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-H2O-H"	-19.01839
"63608"	81.0022573333333	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M-3H"	-3.021828
"505602"	122.007024	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M-3H"	-3.021828
"891065"	39.9974906666667	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-3H"	-3.021828
"8546"	122.007024	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M-2H"	-2.014552
"443732"	183.514174	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M-2H"	-2.014552
"829920"	60.499874	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-2H"	-2.014552
"85900"	245.021324	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M-H"	-1.007276
"524367"	368.035624	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M-H"	-1.007276
"904354"	122.007024	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-H"	-1.007276
"54356"	262.047871	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M-2H+NH4"	16.019271
"493913"	385.062171	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M-2H+NH4"	16.019271
"865031"	139.033571	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-2H+NH4"	16.019271
"32810"	267.003266	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M-2H+Na"	20.974666
"480269"	390.017566	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M-2H+Na"	20.974666
"855884"	143.988966	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-2H+Na"	20.974666
"1624322"	143.988966	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Na-2H"	20.974666
"109557"	139.995363	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M-H+Cl"	33.962126
"545877"	201.502513	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M-H+Cl"	33.962126
"932831"	78.488213	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-H+Cl"	33.962126
"270294"	280.998002	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+Cl"	34.969402
"663814"	404.012302	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+Cl"	34.969402
"1275484"	157.983702	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Cl"	34.969402
"28623"	282.977206	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M-2H+K"	36.948606
"469641"	405.991506	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M-2H+K"	36.948606
"845984"	159.962906	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-2H+K"	36.948606
"1570692"	159.962906	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+K-2H"	36.948606
"955899"	168.012494	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-H+HCOOH"	44.998194
"374481"	291.026801	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+HCOOH-H"	44.998201
"360796"	305.042451	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+Hac-H"	59.013851
"1505382"	182.028151	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Hac-H"	59.013851
"970734"	189.994451	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-H+NaCOOH"	66.980151
"122922"	157.983702	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+2Cl"	69.938804
"561750"	219.490852	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+2Cl"	69.938804
"1027632"	96.476552	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2Cl"	69.938804
"1251581"	201.933185	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Br"	78.918885
"1311843"	203.989172	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Cl+HCOOH"	80.974872
"1327154"	225.971129	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Cl+NaCOOH"	102.956829
"926605"	235.999886	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M-H+CF3COOH"	112.985586
"1302946"	271.976564	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Cl+CF3COOH"	148.962264
"1377464"	88.001624	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H-2H2O"	-35.012676
"1386210"	106.0116	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H-H2O"	-17.0027
"285529"	247.035876	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+H"	1.007276
"678317"	370.050176	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+H"	1.007276
"1355763"	124.021576	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H"	1.007276
"139593"	124.021576	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+2H"	2.014552
"578065"	185.528726	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+2H"	2.014552
"1050872"	62.514426	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2H"	2.014552
"213671"	83.0168093333333	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+3H"	3.021828
"655417"	124.021576	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+3H"	3.021828
"1175727"	42.0120426666667	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+3H"	3.021828
"436813"	264.062423	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+NH4"	18.033823
"796714"	387.076723	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+NH4"	18.033823
"1693048"	141.048123	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+NH4"	18.033823
"341330"	132.5348495	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+H+NH4"	19.041099
"737031"	194.0419995	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+H+NH4"	19.041099
"1485385"	71.0276995	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H+NH4"	19.041099
"399690"	269.017818	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+Na"	22.989218
"765064"	392.032118	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+Na"	22.989218
"1608788"	146.003518	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Na"	22.989218
"316638"	135.012547	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+H+Na"	23.996494
"710152"	196.519697	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+H+Na"	23.996494
"1465065"	73.505397	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H+Na"	23.996494
"1060495"	49.3393566666667	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2H+Na"	25.00377
"1262178"	156.047786	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+CH3OH+H"	33.033486
"381848"	284.991758	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+K"	38.963158
"750502"	408.006058	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+K"	38.963158
"1550367"	161.977458	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+K"	38.963158
"314030"	142.999517	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+H+K"	39.970434
"706883"	204.506667	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+H+K"	39.970434
"1461280"	81.492367	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H+K"	39.970434
"247863"	288.062426	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+ACN+H"	42.033826
"1216198"	165.048126	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+ACN+H"	42.033826
"1201174"	83.027701	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+ACN+2H"	43.041102
"194044"	290.99976	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+2Na-H"	44.97116
"633607"	414.01406	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+2Na-H"	44.97116
"1144766"	167.98546	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2Na-H"	44.97116
"182587"	146.003518	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+2Na"	45.978436
"625430"	207.510668	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+2Na"	45.978436
"1127842"	84.496368	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2Na"	45.978436
"1404805"	56.6666706666667	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H+2Na"	46.985712
"1439108"	170.027046	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H+HCOOH"	47.012746
"225523"	151.03654	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+3H2O+2H"	56.04448
"1510301"	184.07909	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+IsoProp+H"	61.06479
"412176"	153.990488	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+Na+K"	61.952376
"773170"	215.497638	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+Na+K"	61.952376
"1670960"	92.483338	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Na+K"	61.952376
"260397"	310.044368	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+ACN+Na"	64.015768
"1234202"	187.030068	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+ACN+Na"	64.015768
"1717620"	187.053593	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+NH4+HCOOH"	64.039293
"1189177"	63.9939846666667	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+3Na"	68.967654
"1656150"	192.008988	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Na+HCOOH"	68.994688
"158148"	322.94764	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+2K-H"	76.91904
"597584"	445.96194	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+2K-H"	76.91904
"1087812"	199.93334	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2K-H"	76.91904
"143900"	161.977458	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"2M+2K"	77.926316
"586743"	223.484608	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"3M+2K"	77.926316
"1078182"	100.470308	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2K"	77.926316
"1112486"	201.947892	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2K+H"	78.933592
"1345223"	202.035507	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+DMSO+H"	79.021207
"1016670"	206.074676	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2ACN+H"	83.060376
"1535161"	207.068308	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+IsoProp+Na+H"	84.054008
"1003067"	103.540976	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+2ACN+2H"	84.067652
"1597203"	207.982928	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+K+HCOOH"	84.968628
"1422869"	238.014438	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+H+CF3COOH"	115.000138
"1154249"	124.054251	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+3ACN+2H"	125.094202
"1708176"	255.040985	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+NH4+CF3COOH"	132.026685
"1642732"	259.99638	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+Na+CF3COOH"	136.98208
"1580571"	275.97032	"C03311"	"Thien-2-ylacetonitrile"	"C6H5NS"	"123.0143"	"M+K+CF3COOH"	152.95602
"803645"	380.0369	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M"	0
"979001"	361.01851	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-H2O-H"	-19.01839
"64327"	252.350657333333	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M-3H"	-3.021828
"508992"	379.029624	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M-3H"	-3.021828
"894456"	125.671690666667	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-3H"	-3.021828
"11937"	379.029624	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M-2H"	-2.014552
"450403"	569.048074	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M-2H"	-2.014552
"832421"	189.011174	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-2H"	-2.014552
"90383"	759.066524	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M-H"	-1.007276
"530309"	1139.103424	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M-H"	-1.007276
"904464"	379.029624	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-H"	-1.007276
"54466"	776.093071	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M-2H+NH4"	16.019271
"496210"	1156.129971	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M-2H+NH4"	16.019271
"864657"	396.056171	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-2H+NH4"	16.019271
"32072"	781.048466	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M-2H+Na"	20.974666
"481472"	1161.085366	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M-2H+Na"	20.974666
"853807"	401.011566	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-2H+Na"	20.974666
"1624432"	401.011566	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Na-2H"	20.974666
"108615"	397.017963	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M-H+Cl"	33.962126
"544894"	587.036413	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M-H+Cl"	33.962126
"936221"	206.999513	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-H+Cl"	33.962126
"268580"	795.043202	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+Cl"	34.969402
"666110"	1175.080102	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+Cl"	34.969402
"1274501"	415.006302	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Cl"	34.969402
"30191"	797.022406	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M-2H+K"	36.948606
"468657"	1177.059306	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M-2H+K"	36.948606
"842813"	416.985506	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-2H+K"	36.948606
"1570556"	416.985506	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+K-2H"	36.948606
"957101"	425.035094	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-H+HCOOH"	44.998194
"376048"	805.072001	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+HCOOH-H"	44.998201
"359932"	819.087651	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+Hac-H"	59.013851
"1507308"	439.050751	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Hac-H"	59.013851
"972302"	447.017051	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-H+NaCOOH"	66.980151
"119383"	415.006302	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+2Cl"	69.938804
"560036"	605.024752	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+2Cl"	69.938804
"1026649"	224.987852	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2Cl"	69.938804
"1250598"	458.955785	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Br"	78.918885
"1310860"	461.011772	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Cl+HCOOH"	80.974872
"1327263"	482.993729	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Cl+NaCOOH"	102.956829
"921609"	493.022486	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M-H+CF3COOH"	112.985586
"1299409"	528.999164	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Cl+CF3COOH"	148.962264
"1372103"	345.024224	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H-2H2O"	-35.012676
"1386320"	363.0342	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H-H2O"	-17.0027
"284545"	761.081076	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+H"	1.007276
"676241"	1141.117976	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+H"	1.007276
"1355865"	381.044176	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H"	1.007276
"139703"	381.044176	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+2H"	2.014552
"580361"	571.062626	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+2H"	2.014552
"1052443"	191.025726	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2H"	2.014552
"215967"	254.365209333333	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+3H"	3.021828
"657713"	381.044176	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+3H"	3.021828
"1176566"	127.686242666667	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+3H"	3.021828
"434737"	778.107623	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+NH4"	18.033823
"795731"	1158.144523	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+NH4"	18.033823
"1690971"	398.070723	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+NH4"	18.033823
"344356"	389.5574495	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+H+NH4"	19.041099
"736048"	579.5758995	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+H+NH4"	19.041099
"1486589"	199.5389995	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H+NH4"	19.041099
"405266"	783.063018	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+Na"	22.989218
"757518"	1163.099918	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+Na"	22.989218
"1613271"	403.026118	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Na"	22.989218
"321119"	392.035147	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+H+Na"	23.996494
"711355"	582.053597	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+H+Na"	23.996494
"1467361"	202.016697	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H+Na"	23.996494
"1059511"	135.013556666667	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2H+Na"	25.00377
"1257465"	413.070386	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+CH3OH+H"	33.033486
"383051"	799.036958	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+K"	38.963158
"751705"	1179.073858	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+K"	38.963158
"1555481"	419.000058	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+K"	38.963158
"310935"	400.022117	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+H+K"	39.970434
"706846"	590.040567	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+H+K"	39.970434
"1461296"	210.003667	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H+K"	39.970434
"250648"	802.107626	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+ACN+H"	42.033826
"1223720"	422.070726	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+ACN+H"	42.033826
"1205660"	211.539001	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+ACN+2H"	43.041102
"198529"	805.04496	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+2Na-H"	44.97116
"639185"	1185.08186	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+2Na-H"	44.97116
"1139409"	425.00806	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2Na-H"	44.97116
"184886"	403.026118	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+2Na"	45.978436
"626634"	593.044568	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+2Na"	45.978436
"1130746"	213.007668	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2Na"	45.978436
"1409290"	142.340870666667	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H+2Na"	46.985712
"1439219"	427.049646	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H+HCOOH"	47.012746
"225267"	408.05914	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+3H2O+2H"	56.04448
"1512599"	441.10169	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+IsoProp+H"	61.06479
"415566"	411.013088	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+Na+K"	61.952376
"773280"	601.031538	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+Na+K"	61.952376
"1669977"	220.994638	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Na+K"	61.952376
"263787"	824.089568	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+ACN+Na"	64.015768
"1235406"	444.052668	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+ACN+Na"	64.015768
"1718825"	444.076193	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+NH4+HCOOH"	64.039293
"1189651"	149.668184666667	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+3Na"	68.967654
"1658447"	449.031588	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Na+HCOOH"	68.994688
"158137"	836.99284	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+2K-H"	76.91904
"598670"	1217.02974	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+2K-H"	76.91904
"1087194"	456.95594	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2K-H"	76.91904
"144252"	419.000058	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"2M+2K"	77.926316
"589040"	609.018508	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"3M+2K"	77.926316
"1078656"	228.981608	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2K"	77.926316
"1111503"	458.970492	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2K+H"	78.933592
"1345333"	459.058107	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+DMSO+H"	79.021207
"1017874"	463.097276	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2ACN+H"	83.060376
"1535999"	464.090908	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+IsoProp+Na+H"	84.054008
"1001719"	232.052276	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+2ACN+2H"	84.067652
"1597313"	465.005528	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+K+HCOOH"	84.968628
"1422979"	495.037038	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+H+CF3COOH"	115.000138
"1154359"	252.565551	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+3ACN+2H"	125.094202
"1707193"	512.063585	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+NH4+CF3COOH"	132.026685
"1641749"	517.01898	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+Na+CF3COOH"	136.98208
"1580681"	532.99292	"C03312"	"Urate D-ribonucleotide"	"C10H13N4O10P"	"380.0369"	"M+K+CF3COOH"	152.95602
"802298"	452.3654	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M"	0
"981298"	433.34701	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-H2O-H"	-19.01839
"65166"	300.569657333333	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M-3H"	-3.021828
"503633"	451.358124	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M-3H"	-3.021828
"891285"	149.781190666667	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-3H"	-3.021828
"13506"	451.358124	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M-2H"	-2.014552
"451243"	677.540824	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M-2H"	-2.014552
"829775"	225.175424	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-2H"	-2.014552
"87213"	903.723524	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M-H"	-1.007276
"524586"	1356.088924	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M-H"	-1.007276
"896189"	451.358124	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-H"	-1.007276
"56762"	920.750071	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M-2H+NH4"	16.019271
"489758"	1373.115471	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M-2H+NH4"	16.019271
"864438"	468.384671	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-2H+NH4"	16.019271
"33275"	925.705466	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M-2H+Na"	20.974666
"477207"	1378.070866	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M-2H+Na"	20.974666
"851729"	473.340066	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-2H+Na"	20.974666
"1623447"	473.340066	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Na-2H"	20.974666
"104350"	469.346463	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M-H+Cl"	33.962126
"545003"	695.529163	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M-H+Cl"	33.962126
"931957"	243.163763	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-H+Cl"	33.962126
"268327"	939.700202	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+Cl"	34.969402
"662938"	1392.065602	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+Cl"	34.969402
"1274611"	487.334802	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Cl"	34.969402
"27379"	941.679406	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M-2H+K"	36.948606
"466212"	1394.044806	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M-2H+K"	36.948606
"842923"	489.314006	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-2H+K"	36.948606
"1568601"	489.314006	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+K-2H"	36.948606
"955023"	497.363594	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-H+HCOOH"	44.998194
"370324"	949.729001	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+HCOOH-H"	44.998201
"359312"	963.744651	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+Hac-H"	59.013851
"1505962"	511.379251	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Hac-H"	59.013851
"972292"	519.345551	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-H+NaCOOH"	66.980151
"119493"	487.334802	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+2Cl"	69.938804
"561605"	713.517502	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+2Cl"	69.938804
"1030039"	261.152102	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2Cl"	69.938804
"1249615"	531.284285	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Br"	78.918885
"1310970"	533.340272	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Cl+HCOOH"	80.974872
"1325550"	555.322229	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Cl+NaCOOH"	102.956829
"921719"	565.350986	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M-H+CF3COOH"	112.985586
"1299519"	601.327664	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Cl+CF3COOH"	148.962264
"1375493"	417.352724	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H-2H2O"	-35.012676
"1389710"	435.3627	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H-H2O"	-17.0027
"286842"	905.738076	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+H"	1.007276
"678534"	1358.103476	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+H"	1.007276
"1357069"	453.372676	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H"	1.007276
"138720"	453.372676	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+2H"	2.014552
"578284"	679.555376	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+2H"	2.014552
"1048178"	227.189976	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2H"	2.014552
"215714"	302.584209333333	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+3H"	3.021828
"656731"	453.372676	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+3H"	3.021828
"1173761"	151.795742666667	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+3H"	3.021828
"435940"	922.764623	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+NH4"	18.033823
"793656"	1375.130023	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+NH4"	18.033823
"1687799"	470.399223	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+NH4"	18.033823
"342643"	461.8859495	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+H+NH4"	19.041099
"736887"	688.0686495	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+H+NH4"	19.041099
"1486699"	235.7032495	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H+NH4"	19.041099
"405376"	927.720018	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+Na"	22.989218
"759815"	1380.085418	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+Na"	22.989218
"1610100"	475.354618	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Na"	22.989218
"320135"	464.363647	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+H+Na"	23.996494
"711465"	690.546347	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+H+Na"	23.996494
"1466377"	238.180947	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H+Na"	23.996494
"1059621"	159.123056666667	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2H+Na"	25.00377
"1259481"	485.398886	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+CH3OH+H"	33.033486
"383161"	943.693958	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+K"	38.963158
"750722"	1396.059358	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+K"	38.963158
"1555169"	491.328558	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+K"	38.963158
"311409"	472.350617	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+H+K"	39.970434
"706832"	698.533317	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+H+K"	39.970434
"1460821"	246.167917	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H+K"	39.970434
"249178"	946.764626	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+ACN+H"	42.033826
"1224923"	494.399226	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+ACN+H"	42.033826
"1207957"	247.703251	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+ACN+2H"	43.041102
"197546"	949.70196	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+2Na-H"	44.97116
"637108"	1402.06736	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+2Na-H"	44.97116
"1139519"	497.33656	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2Na-H"	44.97116
"181716"	475.354618	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+2Na"	45.978436
"624558"	701.537318	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+2Na"	45.978436
"1128061"	249.171918	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2Na"	45.978436
"1407213"	166.450370666667	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H+2Na"	46.985712
"1438236"	499.378146	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H+HCOOH"	47.012746
"223191"	480.38764	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+3H2O+2H"	56.04448
"1511616"	513.43019	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+IsoProp+H"	61.06479
"412760"	483.341588	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+Na+K"	61.952376
"770840"	709.524288	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+Na+K"	61.952376
"1667171"	257.158888	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Na+K"	61.952376
"258431"	968.746568	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+ACN+Na"	64.015768
"1234423"	516.381168	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+ACN+Na"	64.015768
"1718935"	516.404693	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+NH4+HCOOH"	64.039293
"1188668"	173.777684666667	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+3Na"	68.967654
"1656370"	521.360088	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Na+HCOOH"	68.994688
"157514"	981.64984	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+2K-H"	76.91904
"598780"	1434.01524	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+2K-H"	76.91904
"1087304"	529.28444	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2K-H"	76.91904
"142175"	491.328558	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"2M+2K"	77.926316
"589150"	717.511258	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"3M+2K"	77.926316
"1076579"	265.145858	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2K"	77.926316
"1112341"	531.298992	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2K+H"	78.933592
"1346537"	531.386607	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+DMSO+H"	79.021207
"1020536"	535.425776	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2ACN+H"	83.060376
"1537568"	536.419408	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+IsoProp+Na+H"	84.054008
"1004381"	268.216526	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+2ACN+2H"	84.067652
"1597423"	537.334028	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+K+HCOOH"	84.968628
"1424182"	567.365538	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+H+CF3COOH"	115.000138
"1154469"	288.729801	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+3ACN+2H"	125.094202
"1707302"	584.392085	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+NH4+CF3COOH"	132.026685
"1641859"	589.34748	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+Na+CF3COOH"	136.98208
"1580791"	605.32142	"C03313"	"Phylloquinol;Vitamin K1 hydroquinone;Phytonadiol"	"C31H48O2"	"452.3654"	"M+K+CF3COOH"	152.95602
"804594"	196.0233	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M"	0
"978127"	177.00491	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-H2O-H"	-19.01839
"66369"	129.674924	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M-3H"	-3.021828
"505929"	195.016024	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M-3H"	-3.021828
"892488"	64.333824	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-3H"	-3.021828
"5594"	195.016024	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M-2H"	-2.014552
"448433"	293.027674	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M-2H"	-2.014552
"824048"	97.004374	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-2H"	-2.014552
"86227"	391.039324	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M-H"	-1.007276
"523600"	587.062624	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M-H"	-1.007276
"895851"	195.016024	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-H"	-1.007276
"47998"	408.065871	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M-2H+NH4"	16.019271
"488775"	604.089171	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M-2H+NH4"	16.019271
"865106"	212.042571	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-2H+NH4"	16.019271
"36665"	413.021266	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M-2H+Na"	20.974666
"472944"	609.044566	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M-2H+Na"	20.974666
"851839"	216.997966	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-2H+Na"	20.974666
"1623559"	216.997966	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Na-2H"	20.974666
"104459"	213.004363	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M-H+Cl"	33.962126
"538552"	311.016013	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M-H+Cl"	33.962126
"932067"	114.992713	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-H+Cl"	33.962126
"270624"	427.016002	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+Cl"	34.969402
"664141"	623.039302	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+Cl"	34.969402
"1276542"	230.992702	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Cl"	34.969402
"28946"	428.995206	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M-2H+K"	36.948606
"467412"	625.018506	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M-2H+K"	36.948606
"843029"	232.971906	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-2H+K"	36.948606
"1567614"	232.971906	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+K-2H"	36.948606
"955497"	241.021494	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-H+HCOOH"	44.998194
"366060"	437.044801	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+HCOOH-H"	44.998201
"358329"	451.060451	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+Hac-H"	59.013851
"1507409"	255.037151	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Hac-H"	59.013851
"972641"	263.003451	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-H+NaCOOH"	66.980151
"119239"	230.992702	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+2Cl"	69.938804
"562443"	329.004352	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+2Cl"	69.938804
"1030149"	132.981052	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2Cl"	69.938804
"1248632"	274.942185	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Br"	78.918885
"1309987"	276.998172	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Cl+HCOOH"	80.974872
"1326024"	298.980129	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Cl+NaCOOH"	102.956829
"925108"	309.008886	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M-H+CF3COOH"	112.985586
"1299629"	344.985564	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Cl+CF3COOH"	148.962264
"1371226"	161.010624	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H-2H2O"	-35.012676
"1390913"	179.0206	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H-H2O"	-17.0027
"286223"	393.053876	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+H"	1.007276
"679373"	589.077176	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+H"	1.007276
"1357179"	197.030576	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H"	1.007276
"138830"	197.030576	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+2H"	2.014552
"579487"	295.042226	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+2H"	2.014552
"1050839"	99.018926	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2H"	2.014552
"217644"	131.689476	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+3H"	3.021828
"656839"	197.030576	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+3H"	3.021828
"1177151"	66.348376	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+3H"	3.021828
"436050"	410.080423	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+NH4"	18.033823
"794858"	606.103723	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+NH4"	18.033823
"1689002"	214.057123	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+NH4"	18.033823
"339473"	205.5438495	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+H+NH4"	19.041099
"736268"	303.5554995	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+H+NH4"	19.041099
"1482434"	107.5321995	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H+NH4"	19.041099
"403300"	415.035818	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+Na"	22.989218
"756644"	611.059118	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+Na"	22.989218
"1609116"	219.012518	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Na"	22.989218
"322431"	208.021547	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+H+Na"	23.996494
"717039"	306.033197	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+H+Na"	23.996494
"1468673"	110.009897	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H+Na"	23.996494
"1060824"	73.67569	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2H+Na"	25.00377
"1266875"	229.056786	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+CH3OH+H"	33.033486
"381085"	431.009758	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+K"	38.963158
"749736"	627.033058	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+K"	38.963158
"1555198"	234.986458	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+K"	38.963158
"308967"	216.008517	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+H+K"	39.970434
"706254"	314.020167	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+H+K"	39.970434
"1460689"	117.996867	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H+K"	39.970434
"250384"	434.080426	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+ACN+H"	42.033826
"1225322"	238.057126	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+ACN+H"	42.033826
"1207339"	119.532201	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+ACN+2H"	43.041102
"200936"	437.01776	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+2Na-H"	44.97116
"637218"	633.04106	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+2Na-H"	44.97116
"1139630"	240.99446	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2Na-H"	44.97116
"184742"	219.012518	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+2Na"	45.978436
"625398"	317.024168	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+2Na"	45.978436
"1129264"	121.000868	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2Na"	45.978436
"1406230"	81.003004	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H+2Na"	46.985712
"1438346"	243.036046	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H+HCOOH"	47.012746
"224761"	224.04554	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+3H2O+2H"	56.04448
"1510996"	257.08809	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+IsoProp+H"	61.06479
"412871"	226.999488	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+Na+K"	61.952376
"771678"	325.011138	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+Na+K"	61.952376
"1668010"	128.987838	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Na+K"	61.952376
"260729"	456.062368	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+ACN+Na"	64.015768
"1227605"	260.039068	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+ACN+Na"	64.015768
"1719045"	260.062593	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+NH4+HCOOH"	64.039293
"1188777"	88.330318	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+3Na"	68.967654
"1656480"	265.017988	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Na+HCOOH"	68.994688
"162978"	468.96564	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+2K-H"	76.91904
"597790"	664.98894	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+2K-H"	76.91904
"1084980"	272.94234	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2K-H"	76.91904
"144230"	234.986458	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"2M+2K"	77.926316
"585978"	332.998108	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"3M+2K"	77.926316
"1075959"	136.974808	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2K"	77.926316
"1110265"	274.956892	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2K+H"	78.933592
"1346649"	275.044507	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+DMSO+H"	79.021207
"1019434"	279.083676	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2ACN+H"	83.060376
"1535125"	280.077308	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+IsoProp+Na+H"	84.054008
"1002667"	140.045476	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+2ACN+2H"	84.067652
"1596439"	280.991928	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+K+HCOOH"	84.968628
"1421011"	311.023438	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+H+CF3COOH"	115.000138
"1151299"	160.558751	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+3ACN+2H"	125.094202
"1701943"	328.049985	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+NH4+CF3COOH"	132.026685
"1643062"	333.00538	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+Na+CF3COOH"	136.98208
"1580901"	348.97932	"C03314"	"Xanthine-8-carboxylate"	"C6H4N4O4"	"196.0233"	"M+K+CF3COOH"	152.95602
"815646"	548.0808	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M"	0
"984805"	529.06241	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-H2O-H"	-19.01839
"74142"	364.379924	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M-3H"	-3.021828
"513702"	547.073524	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M-3H"	-3.021828
"890410"	181.686324	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-3H"	-3.021828
"10078"	547.073524	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M-2H"	-2.014552
"449638"	821.113924	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M-2H"	-2.014552
"825252"	273.033124	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-2H"	-2.014552
"86337"	1095.154324	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M-H"	-1.007276
"524804"	1643.235124	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M-H"	-1.007276
"902605"	547.073524	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-H"	-1.007276
"51512"	1112.180871	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+NH4"	16.019271
"488029"	1660.261671	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+NH4"	16.019271
"866320"	564.100071	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-2H+NH4"	16.019271
"32153"	1117.136266	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+Na"	20.974666
"472927"	1665.217066	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+Na"	20.974666
"849880"	569.055466	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-2H+Na"	20.974666
"1619537"	569.055466	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Na-2H"	20.974666
"96920"	565.061863	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M-H+Cl"	33.962126
"544136"	839.102263	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M-H+Cl"	33.962126
"932182"	291.021463	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-H+Cl"	33.962126
"277305"	1131.131002	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+Cl"	34.969402
"668637"	1679.211802	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+Cl"	34.969402
"1279946"	583.050202	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Cl"	34.969402
"23229"	1133.110206	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+K"	36.948606
"466439"	1681.191006	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+K"	36.948606
"845336"	585.029406	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-2H+K"	36.948606
"1569191"	585.029406	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+K-2H"	36.948606
"957441"	593.078994	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-H+HCOOH"	44.998194
"370556"	1141.159801	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+HCOOH-H"	44.998201
"355533"	1155.175451	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+Hac-H"	59.013851
"1499992"	607.094651	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Hac-H"	59.013851
"968625"	615.060951	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-H+NaCOOH"	66.980151
"121905"	583.050202	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+2Cl"	69.938804
"560369"	857.090602	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+2Cl"	69.938804
"1032449"	309.009802	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2Cl"	69.938804
"1254949"	626.999685	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Br"	78.918885
"1316665"	629.055672	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+HCOOH"	80.974872
"1326508"	651.037629	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+NaCOOH"	102.956829
"920851"	661.066386	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M-H+CF3COOH"	112.985586
"1299745"	697.043064	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+CF3COOH"	148.962264
"1375719"	513.068124	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H-2H2O"	-35.012676
"1392123"	531.0781	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H-H2O"	-17.0027
"288537"	1097.168876	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+H"	1.007276
"686062"	1645.249676	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+H"	1.007276
"1357308"	549.088076	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H"	1.007276
"135664"	549.088076	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+2H"	2.014552
"575224"	823.128476	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+2H"	2.014552
"1042932"	275.047676	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2H"	2.014552
"213020"	366.394476	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+3H"	3.021828
"648569"	549.088076	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+3H"	3.021828
"1171797"	183.700876	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+3H"	3.021828
"431790"	1114.195423	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+NH4"	18.033823
"790600"	1662.276223	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+NH4"	18.033823
"1685838"	566.114623	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+NH4"	18.033823
"336300"	557.6013495	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+H+NH4"	19.041099
"726537"	831.6417495	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+H+NH4"	19.041099
"1480356"	283.5609495	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H+NH4"	19.041099
"395758"	1119.150818	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+Na"	22.989218
"756022"	1667.231618	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+Na"	22.989218
"1604972"	571.070018	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Na"	22.989218
"315251"	560.079047	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+H+Na"	23.996494
"709496"	834.119447	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+H+Na"	23.996494
"1463684"	286.038647	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H+Na"	23.996494
"1064591"	191.02819	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2H+Na"	25.00377
"1270646"	581.114286	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+CH3OH+H"	33.033486
"392264"	1135.124758	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+K"	38.963158
"752769"	1683.205558	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+K"	38.963158
"1554951"	587.043958	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+K"	38.963158
"313468"	568.066017	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+H+K"	39.970434
"705765"	842.106417	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+H+K"	39.970434
"1461046"	294.025617	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H+K"	39.970434
"247940"	1138.195426	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+H"	42.033826
"1219919"	590.114626	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+H"	42.033826
"1203801"	295.560951	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+2H"	43.041102
"201411"	1141.13276	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na-H"	44.97116
"636962"	1689.21356	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na-H"	44.97116
"1141924"	593.05196	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2Na-H"	44.97116
"188017"	571.070018	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na"	45.978436
"627327"	845.110418	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na"	45.978436
"1126093"	297.029618	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2Na"	45.978436
"1410712"	198.355504	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H+2Na"	46.985712
"1442463"	595.093546	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H+HCOOH"	47.012746
"232524"	576.10304	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+3H2O+2H"	56.04448
"1520219"	609.14559	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+H"	61.06479
"414801"	579.056988	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+Na+K"	61.952376
"780176"	853.097388	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+Na+K"	61.952376
"1677605"	305.016588	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Na+K"	61.952376
"262300"	1160.177368	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+Na"	64.015768
"1232091"	612.096568	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+Na"	64.015768
"1719521"	612.120093	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+HCOOH"	64.039293
"1180133"	205.682818	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+3Na"	68.967654
"1652575"	617.075488	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Na+HCOOH"	68.994688
"158706"	1173.08064	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+2K-H"	76.91904
"598388"	1721.16144	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+2K-H"	76.91904
"1085328"	624.99984	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2K-H"	76.91904
"144340"	587.043958	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"2M+2K"	77.926316
"586088"	861.084358	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"3M+2K"	77.926316
"1069138"	313.003558	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2K"	77.926316
"1107088"	627.014392	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2K+H"	78.933592
"1345661"	627.102007	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+DMSO+H"	79.021207
"1014194"	631.141176	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+H"	83.060376
"1531226"	632.134808	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+Na+H"	84.054008
"1000590"	316.074226	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+2H"	84.067652
"1594364"	633.049428	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+K+HCOOH"	84.968628
"1417840"	663.080938	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+H+CF3COOH"	115.000138
"1149222"	336.587501	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+3ACN+2H"	125.094202
"1697800"	680.107485	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+CF3COOH"	132.026685
"1637707"	685.06288	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+Na+CF3COOH"	136.98208
"1584294"	701.03682	"C03319"	"dTDP-L-rhamnose;dTDP-6-deoxy-L-mannose;dTDP-6-deoxy-beta-L-mannose;dTDP-beta-L-rhamnose"	"C16H26N2O15P2"	"548.0808"	"M+K+CF3COOH"	152.95602
"808101"	305.1627	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M"	0
"978352"	286.14431	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H2O-H"	-19.01839
"78260"	202.434524	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-3H"	-3.021828
"517092"	304.155424	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-3H"	-3.021828
"891614"	100.713624	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-3H"	-3.021828
"11283"	304.155424	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H"	-2.014552
"454120"	456.736774	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H"	-2.014552
"825361"	151.574074	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H"	-2.014552
"87540"	609.318124	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-H"	-1.007276
"530382"	914.480824	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-H"	-1.007276
"904903"	304.155424	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H"	-1.007276
"51622"	626.344671	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H+NH4"	16.019271
"492275"	931.507371	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H+NH4"	16.019271
"871171"	321.181971	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H+NH4"	16.019271
"33603"	631.300066	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H+Na"	20.974666
"475351"	936.462766	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H+Na"	20.974666
"853152"	326.137366	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H+Na"	20.974666
"1624873"	326.137366	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na-2H"	20.974666
"97027"	322.143763	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-H+Cl"	33.962126
"536589"	474.725113	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-H+Cl"	33.962126
"932294"	169.562413	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+Cl"	33.962126
"272310"	645.294802	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Cl"	34.969402
"669835"	950.457502	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+Cl"	34.969402
"1283334"	340.132102	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl"	34.969402
"22611"	647.274006	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H+K"	36.948606
"466550"	952.436706	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H+K"	36.948606
"847880"	342.111306	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H+K"	36.948606
"1568573"	342.111306	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K-2H"	36.948606
"956820"	350.160894	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+HCOOH"	44.998194
"372850"	655.323601	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+HCOOH-H"	44.998201
"356736"	669.339251	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Hac-H"	59.013851
"1502287"	364.176551	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Hac-H"	59.013851
"967639"	372.142851	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+NaCOOH"	66.980151
"119826"	340.132102	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2Cl"	69.938804
"557199"	492.713452	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2Cl"	69.938804
"1031470"	187.550752	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2Cl"	69.938804
"1255057"	384.081585	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Br"	78.918885
"1316415"	386.137572	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl+HCOOH"	80.974872
"1329901"	408.119529	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl+NaCOOH"	102.956829
"919867"	418.148286	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+CF3COOH"	112.985586
"1298763"	454.124964	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl+CF3COOH"	148.962264
"1379115"	270.150024	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H-2H2O"	-35.012676
"1388957"	288.16	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H-H2O"	-17.0027
"291926"	611.332676	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H"	1.007276
"679973"	916.495376	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H"	1.007276
"1362884"	306.169976	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H"	1.007276
"131764"	306.169976	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2H"	2.014552
"572417"	458.751326	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2H"	2.014552
"1041581"	153.588626	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2H"	2.014552
"206202"	204.449076	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+3H"	3.021828
"653780"	306.169976	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+3H"	3.021828
"1164003"	102.728176	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+3H"	3.021828
"431899"	628.359223	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+NH4"	18.033823
"795081"	933.521923	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+NH4"	18.033823
"1689226"	323.196523	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+NH4"	18.033823
"330939"	314.6832495	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H+NH4"	19.041099
"726643"	467.2645995	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H+NH4"	19.041099
"1483746"	162.1018995	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+NH4"	19.041099
"396229"	633.314618	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Na"	22.989218
"755767"	938.477318	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+Na"	22.989218
"1603987"	328.151918	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na"	22.989218
"314752"	317.160947	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H+Na"	23.996494
"707783"	469.742297	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H+Na"	23.996494
"1472182"	164.579597	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+Na"	23.996494
"1066162"	110.05549	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2H+Na"	25.00377
"1266015"	338.196186	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+CH3OH+H"	33.033486
"392454"	649.288558	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+K"	38.963158
"753859"	954.451258	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+K"	38.963158
"1554950"	344.125858	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K"	38.963158
"314174"	325.147917	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H+K"	39.970434
"706958"	477.729267	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H+K"	39.970434
"1461225"	172.566567	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+K"	39.970434
"250850"	652.359226	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+ACN+H"	42.033826
"1221851"	347.196526	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+ACN+H"	42.033826
"1208411"	174.101901	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+ACN+2H"	43.041102
"203349"	655.29656	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2Na-H"	44.97116
"637072"	960.45926	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2Na-H"	44.97116
"1142763"	350.13386	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2Na-H"	44.97116
"187273"	328.151918	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2Na"	45.978436
"624884"	480.733268	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2Na"	45.978436
"1129118"	175.570568	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2Na"	45.978436
"1409728"	117.382804	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+2Na"	46.985712
"1435646"	352.175446	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+HCOOH"	47.012746
"225339"	333.18494	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+3H2O+2H"	56.04448
"1513036"	366.22749	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+IsoProp+H"	61.06479
"413823"	336.138888	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Na+K"	61.952376
"781019"	488.720238	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+Na+K"	61.952376
"1676255"	183.557538	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na+K"	61.952376
"262775"	674.341168	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+ACN+Na"	64.015768
"1233659"	369.178468	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+ACN+Na"	64.015768
"1720359"	369.201993	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+NH4+HCOOH"	64.039293
"1182066"	124.710118	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+3Na"	68.967654
"1653048"	374.157388	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na+HCOOH"	68.994688
"160639"	687.24444	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2K-H"	76.91904
"600200"	992.40714	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2K-H"	76.91904
"1086171"	382.08174	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2K-H"	76.91904
"143356"	344.125858	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2K"	77.926316
"582670"	496.707208	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2K"	77.926316
"1070708"	191.544508	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2K"	77.926316
"1107198"	384.096292	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2K+H"	78.933592
"1346869"	384.183907	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+DMSO+H"	79.021207
"1011026"	388.223076	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2ACN+H"	83.060376
"1530243"	389.216708	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+IsoProp+Na+H"	84.054008
"992317"	194.615176	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2ACN+2H"	84.067652
"1593380"	390.131328	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K+HCOOH"	84.968628
"1416856"	420.162838	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+CF3COOH"	115.000138
"1151518"	215.128451	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+3ACN+2H"	125.094202
"1702162"	437.189385	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+NH4+CF3COOH"	132.026685
"1640005"	442.14478	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na+CF3COOH"	136.98208
"1581125"	458.11872	"C03325"	"(6S)-Hydroxyhyoscyamine;(6S)-6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K+CF3COOH"	152.95602
"808211"	372.2009	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M"	0
"981742"	353.18251	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-H2O-H"	-19.01839
"77966"	247.126657333333	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M-3H"	-3.021828
"516838"	371.193624	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M-3H"	-3.021828
"891724"	123.059690666667	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-3H"	-3.021828
"11393"	371.193624	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M-2H"	-2.014552
"453866"	557.294074	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M-2H"	-2.014552
"825471"	185.093174	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-2H"	-2.014552
"89837"	743.394524	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M-H"	-1.007276
"531951"	1115.595424	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M-H"	-1.007276
"907929"	371.193624	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-H"	-1.007276
"55012"	760.421071	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M-2H+NH4"	16.019271
"493478"	1132.621971	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M-2H+NH4"	16.019271
"870188"	388.220171	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-2H+NH4"	16.019271
"38088"	765.376466	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M-2H+Na"	20.974666
"479835"	1137.577366	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M-2H+Na"	20.974666
"851077"	393.175566	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-2H+Na"	20.974666
"1627169"	393.175566	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Na-2H"	20.974666
"97136"	389.181963	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M-H+Cl"	33.962126
"536701"	575.282413	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M-H+Cl"	33.962126
"932771"	203.081513	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-H+Cl"	33.962126
"276432"	779.371202	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+Cl"	34.969402
"668856"	1151.572102	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+Cl"	34.969402
"1281259"	407.170302	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Cl"	34.969402
"24911"	781.350406	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M-2H+K"	36.948606
"466660"	1153.551306	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M-2H+K"	36.948606
"844465"	409.149506	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-2H+K"	36.948606
"1567954"	409.149506	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+K-2H"	36.948606
"953650"	417.199094	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-H+HCOOH"	44.998194
"371867"	789.400001	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+HCOOH-H"	44.998201
"357939"	803.415651	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+Hac-H"	59.013851
"1505679"	431.214751	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Hac-H"	59.013851
"967749"	439.181051	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-H+NaCOOH"	66.980151
"123216"	407.170302	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+2Cl"	69.938804
"560589"	593.270752	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+2Cl"	69.938804
"1033767"	221.069852	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2Cl"	69.938804
"1246783"	451.119785	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Br"	78.918885
"1315797"	453.175772	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Cl+HCOOH"	80.974872
"1331104"	475.157729	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Cl+NaCOOH"	102.956829
"921070"	485.186486	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M-H+CF3COOH"	112.985586
"1298873"	521.163164	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Cl+CF3COOH"	148.962264
"1377033"	337.188224	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H-2H2O"	-35.012676
"1392347"	355.1982	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H-H2O"	-17.0027
"289849"	745.409076	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+H"	1.007276
"681177"	1117.609976	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+H"	1.007276
"1358620"	373.208176	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H"	1.007276
"129687"	373.208176	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+2H"	2.014552
"572164"	559.308626	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+2H"	2.014552
"1039139"	187.107726	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2H"	2.014552
"208134"	249.141209333333	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+3H"	3.021828
"648788"	373.208176	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+3H"	3.021828
"1164722"	125.074242666667	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+3H"	3.021828
"426174"	762.435623	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+NH4"	18.033823
"794098"	1134.636523	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+NH4"	18.033823
"1690429"	390.234723	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+NH4"	18.033823
"332873"	381.7214495	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+H+NH4"	19.041099
"726388"	567.8218995	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+H+NH4"	19.041099
"1483859"	195.6209995	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H+NH4"	19.041099
"398163"	767.391018	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+Na"	22.989218
"759158"	1139.591918	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+Na"	22.989218
"1608351"	395.190118	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Na"	22.989218
"316199"	384.199147	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+H+Na"	23.996494
"708624"	570.299597	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+H+Na"	23.996494
"1472292"	198.098697	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H+Na"	23.996494
"1068452"	132.401556666667	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2H+Na"	25.00377
"1266125"	405.234386	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+CH3OH+H"	33.033486
"392679"	783.364958	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+K"	38.963158
"753724"	1155.565858	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+K"	38.963158
"1555340"	411.164058	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+K"	38.963158
"313520"	392.186117	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+H+K"	39.970434
"706920"	578.286567	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+H+K"	39.970434
"1461184"	206.085667	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H+K"	39.970434
"251203"	786.435626	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+ACN+H"	42.033826
"1221961"	414.234726	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+ACN+H"	42.033826
"1208032"	207.621001	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+ACN+2H"	43.041102
"204151"	789.37296	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+2Na-H"	44.97116
"639732"	1161.57386	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+2Na-H"	44.97116
"1143237"	417.17206	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2Na-H"	44.97116
"186892"	395.190118	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+2Na"	45.978436
"624993"	581.290568	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+2Na"	45.978436
"1129958"	209.089668	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2Na"	45.978436
"1409837"	139.728870666667	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H+2Na"	46.985712
"1436486"	419.213646	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H+HCOOH"	47.012746
"224721"	400.22314	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+3H2O+2H"	56.04448
"1513514"	433.26569	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+IsoProp+H"	61.06479
"413933"	403.177088	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+Na+K"	61.952376
"781126"	589.277538	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+Na+K"	61.952376
"1676728"	217.076638	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Na+K"	61.952376
"262884"	808.417568	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+ACN+Na"	64.015768
"1232676"	436.216668	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+ACN+Na"	64.015768
"1720469"	436.240193	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+NH4+HCOOH"	64.039293
"1181080"	147.056184666667	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+3Na"	68.967654
"1652793"	441.195588	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Na+HCOOH"	68.994688
"158196"	821.32084	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+2K-H"	76.91904
"598125"	1193.52174	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+2K-H"	76.91904
"1087736"	449.11994	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2K-H"	76.91904
"142125"	411.164058	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"2M+2K"	77.926316
"585214"	597.264508	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"3M+2K"	77.926316
"1069358"	225.063608	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2K"	77.926316
"1100990"	451.134492	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2K+H"	78.933592
"1345885"	451.222107	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+DMSO+H"	79.021207
"1007976"	455.261276	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2ACN+H"	83.060376
"1530354"	456.254908	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+IsoProp+Na+H"	84.054008
"991456"	228.134276	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+2ACN+2H"	84.067652
"1590211"	457.169528	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+K+HCOOH"	84.968628
"1416965"	487.201038	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+H+CF3COOH"	115.000138
"1150533"	248.647551	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+3ACN+2H"	125.094202
"1701179"	504.227585	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+NH4+CF3COOH"	132.026685
"1640115"	509.18298	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+Na+CF3COOH"	136.98208
"1581235"	525.15692	"C03326"	"(Ac)2-L-Lys-D-Ala-D-Ala;(Ac)2-L-lysyl-D-alanyl-D-alanine"	"C16H28N4O6"	"372.2009"	"M+K+CF3COOH"	152.95602
"808321"	176.0685	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M"	0
"981852"	157.05011	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-H2O-H"	-19.01839
"77629"	116.371724	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M-3H"	-3.021828
"516948"	175.061224	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M-3H"	-3.021828
"891834"	57.682224	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-3H"	-3.021828
"8223"	175.061224	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M-2H"	-2.014552
"444499"	263.095474	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M-2H"	-2.014552
"825581"	87.026974	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-2H"	-2.014552
"87760"	351.129724	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M-H"	-1.007276
"528414"	527.198224	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M-H"	-1.007276
"906216"	175.061224	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-H"	-1.007276
"55122"	368.156271	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M-2H+NH4"	16.019271
"492495"	544.224771	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M-2H+NH4"	16.019271
"870298"	192.087771	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-2H+NH4"	16.019271
"34918"	373.111666	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M-2H+Na"	20.974666
"475572"	549.180166	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M-2H+Na"	20.974666
"851186"	197.043166	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-2H+Na"	20.974666
"1627279"	197.043166	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Na-2H"	20.974666
"96152"	193.049563	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M-H+Cl"	33.962126
"537175"	281.083813	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M-H+Cl"	33.962126
"934703"	105.015313	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-H+Cl"	33.962126
"274354"	387.106402	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+Cl"	34.969402
"666779"	563.174902	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+Cl"	34.969402
"1280274"	211.037902	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Cl"	34.969402
"19549"	389.085606	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M-2H+K"	36.948606
"462394"	565.154106	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M-2H+K"	36.948606
"842386"	213.017106	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-2H+K"	36.948606
"1565876"	213.017106	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+K-2H"	36.948606
"951573"	221.066694	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-H+HCOOH"	44.998194
"373070"	397.135201	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+HCOOH-H"	44.998201
"355859"	411.150851	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+Hac-H"	59.013851
"1495944"	235.082351	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Hac-H"	59.013851
"959838"	243.048651	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-H+NaCOOH"	66.980151
"123326"	211.037902	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+2Cl"	69.938804
"558512"	299.072152	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+2Cl"	69.938804
"1034970"	123.003652	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2Cl"	69.938804
"1246893"	254.987385	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Br"	78.918885
"1317000"	257.043372	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Cl+HCOOH"	80.974872
"1331214"	279.025329	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Cl+NaCOOH"	102.956829
"917900"	289.054086	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M-H+CF3COOH"	112.985586
"1298983"	325.030764	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Cl+CF3COOH"	148.962264
"1374957"	141.055824	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H-2H2O"	-35.012676
"1392457"	159.0658	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H-H2O"	-17.0027
"291051"	353.144276	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+H"	1.007276
"686753"	529.212776	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+H"	1.007276
"1363103"	177.075776	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H"	1.007276
"131620"	177.075776	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+2H"	2.014552
"572274"	265.110026	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+2H"	2.014552
"1041801"	89.041526	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2H"	2.014552
"207516"	118.386276	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+3H"	3.021828
"649627"	177.075776	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+3H"	3.021828
"1164469"	59.696776	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+3H"	3.021828
"426283"	370.170823	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+NH4"	18.033823
"794208"	546.239323	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+NH4"	18.033823
"1685799"	194.102323	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+NH4"	18.033823
"337726"	185.5890495	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+H+NH4"	19.041099
"724675"	273.6232995	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+H+NH4"	19.041099
"1483967"	97.5547995	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H+NH4"	19.041099
"399367"	375.126218	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+Na"	22.989218
"762549"	551.194718	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+Na"	22.989218
"1608461"	199.057718	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Na"	22.989218
"317403"	188.066747	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+H+Na"	23.996494
"709827"	276.100997	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+H+Na"	23.996494
"1471674"	100.032497	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H+Na"	23.996494
"1066746"	67.02409	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2H+Na"	25.00377
"1266235"	209.101986	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+CH3OH+H"	33.033486
"391374"	391.100158	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+K"	38.963158
"754162"	567.168658	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+K"	38.963158
"1554673"	215.031658	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+K"	38.963158
"313062"	196.053717	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+H+K"	39.970434
"705116"	284.087967	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+H+K"	39.970434
"1460518"	108.019467	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H+K"	39.970434
"251190"	394.170826	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+ACN+H"	42.033826
"1221341"	218.102326	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+ACN+H"	42.033826
"1205225"	109.554801	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+ACN+2H"	43.041102
"202838"	397.10816	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+2Na-H"	44.97116
"639841"	573.17666	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+2Na-H"	44.97116
"1142983"	221.03966	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2Na-H"	44.97116
"182263"	199.057718	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+2Na"	45.978436
"622917"	287.091968	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+2Na"	45.978436
"1126422"	111.023468	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2Na"	45.978436
"1403386"	74.351404	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H+2Na"	46.985712
"1436227"	223.081246	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H+HCOOH"	47.012746
"225196"	204.09074	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+3H2O+2H"	56.04448
"1513258"	237.13329	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+IsoProp+H"	61.06479
"414043"	207.044688	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+Na+K"	61.952376
"779050"	295.078938	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+Na+K"	61.952376
"1672464"	119.010438	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Na+K"	61.952376
"254610"	416.152768	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+ACN+Na"	64.015768
"1226585"	240.084268	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+ACN+Na"	64.015768
"1716202"	240.107793	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+NH4+HCOOH"	64.039293
"1180460"	81.678718	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+3Na"	68.967654
"1653267"	245.063188	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Na+HCOOH"	68.994688
"162316"	429.05604	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+2K-H"	76.91904
"597254"	605.12454	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+2K-H"	76.91904
"1084399"	252.98754	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2K-H"	76.91904
"141664"	215.031658	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"2M+2K"	77.926316
"581550"	303.065908	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"3M+2K"	77.926316
"1069106"	126.997408	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2K"	77.926316
"1100858"	255.002092	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2K+H"	78.933592
"1345995"	255.089707	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+DMSO+H"	79.021207
"1011245"	259.128876	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2ACN+H"	83.060376
"1531557"	260.122508	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+IsoProp+Na+H"	84.054008
"993631"	130.068076	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+2ACN+2H"	84.067652
"1592508"	261.037128	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+K+HCOOH"	84.968628
"1419262"	291.068638	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+H+CF3COOH"	115.000138
"1151737"	150.581351	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+3ACN+2H"	125.094202
"1703475"	308.095185	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+NH4+CF3COOH"	132.026685
"1640225"	313.05058	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+Na+CF3COOH"	136.98208
"1581345"	329.02452	"C03328"	"(R)-2-(n-Propyl)-malate"	"C7H12O5"	"176.0685"	"M+K+CF3COOH"	152.95602
"811711"	339.1471	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M"	0
"981963"	320.12871	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"77861"	225.090790666667	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"517669"	338.139824	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"894861"	112.041757333333	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"14529"	338.139824	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"454450"	507.713374	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"825691"	168.566274	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"92488"	677.286924	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"530711"	1016.434024	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"907420"	338.139824	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"55232"	694.313471	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"493698"	1033.460571	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"870408"	355.166371	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"34298"	699.268866	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"474952"	1038.415966	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"854577"	360.121766	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1626297"	360.121766	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"96262"	356.128163	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"535827"	525.701713	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"933720"	186.554613	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"274464"	713.263602	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"669076"	1052.410702	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1279291"	374.116502	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"22940"	715.242806	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"463598"	1054.389906	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"835935"	376.095706	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1561611"	376.095706	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"946214"	384.145294	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"370991"	723.292401	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"357062"	737.308051	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1498605"	398.160951	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"962500"	406.127251	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"121250"	374.116502	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"557529"	543.690052	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1036174"	204.542952	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1252471"	418.065985	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1312732"	420.121972	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1330231"	442.103929	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"922385"	452.132686	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1303471"	488.109364	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1376161"	304.134424	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1392568"	322.1444	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"293348"	679.301476	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"683583"	1018.448576	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1366493"	340.154376	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"137931"	340.154376	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"573479"	509.727926	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1046651"	170.580826	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"212365"	227.105342666667	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"649737"	340.154376	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1164942"	114.056309333333	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"432229"	696.328023	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"798695"	1035.475123	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1692836"	357.180923	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"338931"	348.6676495	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"732444"	518.2411995	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1488453"	179.0940995	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"399477"	701.283418	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"764846"	1040.430518	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1612946"	362.136318	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"320795"	351.145347	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"708116"	520.718897	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1472149"	181.571797	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1059197"	121.383623333333	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1268897"	372.180586	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"390392"	717.257358	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"752478"	1056.404458	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1555581"	378.110258	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"312807"	359.132317	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"707034"	528.705867	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1461000"	189.558767	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"251055"	720.328026	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1221087"	381.180926	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1205335"	191.094101	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"202339"	723.26536	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"636671"	1062.41246	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1143457"	384.11826	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"182375"	362.136318	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"624121"	531.709868	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1122160"	192.562768	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1406777"	128.710937333333	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1434882"	386.159846	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"225670"	367.16934	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1513004"	400.21189	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"414153"	370.123288	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"779890"	539.696838	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1674763"	200.549738	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"259095"	742.309968	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1227790"	403.162868	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1716315"	403.186393	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1179476"	136.038251333333	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1651192"	408.141788	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"160608"	755.21324	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"599440"	1094.36034	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1085286"	416.06614	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"141780"	378.110258	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"584340"	547.683808	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1072133"	208.536708	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1106436"	418.080692	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1342825"	418.168307	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1009168"	422.207476	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1529481"	423.201108	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"992647"	211.607376	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1588243"	424.115728	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1417184"	454.147238	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1150754"	232.120651	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1700304"	471.173785	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1638148"	476.12918	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1581455"	492.10312	"C03329"	"(S)-Canadine;(S)-Tetrahydroberberine;(13aS)-581313a-Tetrahydro-910-dimethoxy-6H-benzog-13-benzodioxolo56-aquinolizine;(-)-Canadine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"802223"	140.0473	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M"	0
"982074"	121.02891	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H2O-H"	-19.01839
"74689"	92.3575906666667	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-3H"	-3.021828
"508781"	139.040024	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-3H"	-3.021828
"889863"	45.6751573333333	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-3H"	-3.021828
"7346"	139.040024	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H"	-2.014552
"442894"	209.063674	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H"	-2.014552
"819968"	69.016374	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H"	-2.014552
"84699"	279.087324	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-H"	-1.007276
"524261"	419.134624	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-H"	-1.007276
"903156"	139.040024	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H"	-1.007276
"54250"	296.113871	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H+NH4"	16.019271
"492715"	436.161171	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H+NH4"	16.019271
"870518"	156.066571	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H+NH4"	16.019271
"37325"	301.069266	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H+Na"	20.974666
"474821"	441.116566	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H+Na"	20.974666
"851409"	161.021966	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H+Na"	20.974666
"1619236"	161.021966	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na-2H"	20.974666
"97466"	157.028363	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-H+Cl"	33.962126
"535691"	227.052013	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-H+Cl"	33.962126
"929812"	87.004713	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+Cl"	33.962126
"269829"	315.064002	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Cl"	34.969402
"664806"	455.111302	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+Cl"	34.969402
"1276117"	175.016702	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl"	34.969402
"18675"	317.043206	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H+K"	36.948606
"458241"	457.090506	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H+K"	36.948606
"838231"	176.995906	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H+K"	36.948606
"1558442"	176.995906	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K-2H"	36.948606
"944138"	185.045494	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+HCOOH"	44.998194
"367822"	325.092801	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+HCOOH-H"	44.998201
"350612"	339.108451	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Hac-H"	59.013851
"1500538"	199.061151	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Hac-H"	59.013851
"962611"	207.027451	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+NaCOOH"	66.980151
"122457"	175.016702	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2Cl"	69.938804
"564207"	245.040352	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2Cl"	69.938804
"1029725"	104.993052	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2Cl"	69.938804
"1252582"	218.966185	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Br"	78.918885
"1316124"	221.022172	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl+HCOOH"	80.974872
"1329248"	243.004129	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl+NaCOOH"	102.956829
"920307"	253.032886	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+CF3COOH"	112.985586
"1301392"	289.009564	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl+CF3COOH"	148.962264
"1381741"	105.034624	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H-2H2O"	-35.012676
"1397416"	123.0446	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H-H2O"	-17.0027
"296011"	281.101876	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H"	1.007276
"689889"	421.149176	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H"	1.007276
"1364415"	141.054576	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H"	1.007276
"140586"	141.054576	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2H"	2.014552
"579055"	211.078226	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2H"	2.014552
"1047855"	71.030926	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2H"	2.014552
"207735"	94.3721426666667	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+3H"	3.021828
"652033"	141.054576	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+3H"	3.021828
"1169066"	47.6897093333333	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+3H"	3.021828
"436713"	298.128423	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+NH4"	18.033823
"796617"	438.175723	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+NH4"	18.033823
"1692947"	158.081123	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+NH4"	18.033823
"340133"	149.5678495	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H+NH4"	19.041099
"733647"	219.5914995	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H+NH4"	19.041099
"1486377"	79.5441995	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+NH4"	19.041099
"402868"	303.083818	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Na"	22.989218
"761675"	443.131118	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+Na"	22.989218
"1609773"	163.036518	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na"	22.989218
"326749"	152.045547	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H+Na"	23.996494
"715522"	222.069197	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H+Na"	23.996494
"1470437"	82.021897	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+Na"	23.996494
"1061497"	55.0170233333333	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2H+Na"	25.00377
"1263174"	173.080786	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+CH3OH+H"	33.033486
"388684"	319.057758	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+K"	38.963158
"750414"	459.105058	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+K"	38.963158
"1554409"	179.010458	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K"	38.963158
"312188"	160.032517	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H+K"	39.970434
"705951"	230.056167	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H+K"	39.970434
"1460498"	90.008867	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+K"	39.970434
"245573"	322.128426	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+ACN+H"	42.033826
"1216095"	182.081126	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+ACN+H"	42.033826
"1198882"	91.544201	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+ACN+2H"	43.041102
"196127"	325.06576	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2Na-H"	44.97116
"635688"	465.11306	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2Na-H"	44.97116
"1144540"	185.01846	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2Na-H"	44.97116
"183213"	163.036518	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2Na"	45.978436
"617671"	233.060168	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2Na"	45.978436
"1121176"	93.012868	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2Na"	45.978436
"1405791"	62.3443373333333	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+2Na"	46.985712
"1435726"	187.060046	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+HCOOH"	47.012746
"226515"	168.06954	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+3H2O+2H"	56.04448
"1512391"	201.11209	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+IsoProp+H"	61.06479
"410985"	171.023488	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Na+K"	61.952376
"776354"	241.047138	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+Na+K"	61.952376
"1673780"	100.999838	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na+K"	61.952376
"257020"	344.110368	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+ACN+Na"	64.015768
"1235193"	204.063068	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+ACN+Na"	64.015768
"1715695"	204.086593	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+NH4+HCOOH"	64.039293
"1181412"	69.6716513333333	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+3Na"	68.967654
"1651667"	209.041988	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na+HCOOH"	68.994688
"159987"	357.01364	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2K-H"	76.91904
"597194"	497.06094	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2K-H"	76.91904
"1084791"	216.96634	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2K-H"	76.91904
"141646"	179.010458	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2K"	77.926316
"585544"	249.034108	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2K"	77.926316
"1074435"	108.986808	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2K"	77.926316
"1107645"	218.980892	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2K+H"	78.933592
"1342935"	219.068507	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+DMSO+H"	79.021207
"1012560"	223.107676	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2ACN+H"	83.060376
"1531779"	224.101308	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+IsoProp+Na+H"	84.054008
"992759"	112.057476	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2ACN+2H"	84.067652
"1590542"	225.015928	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K+HCOOH"	84.968628
"1415474"	255.047438	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+CF3COOH"	115.000138
"1151961"	132.570751	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+3ACN+2H"	125.094202
"1699328"	272.073985	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+NH4+CF3COOH"	132.026685
"1637165"	277.02938	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na+CF3COOH"	136.98208
"1581567"	293.00332	"C03338"	"235-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K+CF3COOH"	152.95602
"802091"	265.9593	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M"	0
"984371"	246.94091	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-H2O-H"	-19.01839
"73706"	176.298924	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M-3H"	-3.021828
"508891"	264.952024	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M-3H"	-3.021828
"886692"	87.645824	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-3H"	-3.021828
"6361"	264.952024	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M-2H"	-2.014552
"444097"	397.931674	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M-2H"	-2.014552
"822630"	131.972374	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-2H"	-2.014552
"88089"	530.911324	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M-H"	-1.007276
"529838"	796.870624	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M-H"	-1.007276
"903265"	264.952024	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-H"	-1.007276
"54360"	547.937871	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M-2H+NH4"	16.019271
"495741"	813.897171	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M-2H+NH4"	16.019271
"870628"	281.978571	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-2H+NH4"	16.019271
"39622"	552.893266	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M-2H+Na"	20.974666
"478091"	818.852566	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M-2H+Na"	20.974666
"853706"	286.933966	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-2H+Na"	20.974666
"1620321"	286.933966	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Na-2H"	20.974666
"97580"	282.940363	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M-H+Cl"	33.962126
"539328"	415.920013	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M-H+Cl"	33.962126
"933935"	149.960713	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-H+Cl"	33.962126
"272492"	566.888002	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+Cl"	34.969402
"663823"	832.847302	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+Cl"	34.969402
"1275499"	300.928702	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Cl"	34.969402
"20973"	568.867206	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M-2H+K"	36.948606
"458350"	834.826506	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M-2H+K"	36.948606
"836154"	302.907906	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-2H+K"	36.948606
"1556848"	302.907906	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+K-2H"	36.948606
"947528"	310.957494	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-H+HCOOH"	44.998194
"369025"	576.916801	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+HCOOH-H"	44.998201
"351814"	590.932451	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+Hac-H"	59.013851
"1502833"	324.973151	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Hac-H"	59.013851
"962721"	332.939451	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-H+NaCOOH"	66.980151
"123660"	300.928702	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+2Cl"	69.938804
"558847"	433.908352	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+2Cl"	69.938804
"1035909"	167.949052	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2Cl"	69.938804
"1249411"	344.878185	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Br"	78.918885
"1314046"	346.934172	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Cl+HCOOH"	80.974872
"1333730"	368.916129	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Cl+NaCOOH"	102.956829
"921508"	378.944886	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M-H+CF3COOH"	112.985586
"1296032"	414.921564	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Cl+CF3COOH"	148.962264
"1381124"	230.946624	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H-2H2O"	-35.012676
"1393878"	248.9566	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H-H2O"	-17.0027
"294663"	532.925876	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+H"	1.007276
"688906"	798.885176	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+H"	1.007276
"1364526"	266.966576	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H"	1.007276
"138511"	266.966576	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+2H"	2.014552
"579165"	399.946226	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+2H"	2.014552
"1047965"	133.986926	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2H"	2.014552
"214769"	178.313476	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+3H"	3.021828
"652140"	266.966576	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+3H"	3.021828
"1170269"	89.660376	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+3H"	3.021828
"433541"	549.952423	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+NH4"	18.033823
"788703"	815.911723	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+NH4"	18.033823
"1683575"	283.993123	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+NH4"	18.033823
"333313"	275.4798495	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+H+NH4"	19.041099
"725369"	408.4594995	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+H+NH4"	19.041099
"1477730"	142.5001995	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H+NH4"	19.041099
"394591"	554.907818	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+Na"	22.989218
"759598"	820.867118	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+Na"	22.989218
"1605509"	288.948518	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Na"	22.989218
"323209"	277.957547	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+H+Na"	23.996494
"714539"	410.937197	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+H+Na"	23.996494
"1470547"	144.977897	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H+Na"	23.996494
"1061607"	96.98769	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2H+Na"	25.00377
"1260004"	298.992786	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+CH3OH+H"	33.033486
"389522"	570.881758	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+K"	38.963158
"750524"	836.841058	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+K"	38.963158
"1554034"	304.922458	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+K"	38.963158
"312298"	285.944517	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+H+K"	39.970434
"705448"	418.924167	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+H+K"	39.970434
"1459997"	152.964867	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H+K"	39.970434
"240216"	573.952426	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+ACN+H"	42.033826
"1216205"	307.993126	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+ACN+H"	42.033826
"1201179"	154.500201	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+ACN+2H"	43.041102
"197330"	576.88976	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+2Na-H"	44.97116
"636890"	842.84906	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+2Na-H"	44.97116
"1138209"	310.93046	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2Na-H"	44.97116
"180405"	288.948518	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+2Na"	45.978436
"622153"	421.928168	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+2Na"	45.978436
"1125658"	155.968868	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2Na"	45.978436
"1404807"	104.315004	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H+2Na"	46.985712
"1434743"	312.972046	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H+HCOOH"	47.012746
"224439"	293.98154	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+3H2O+2H"	56.04448
"1513594"	327.02409	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+IsoProp+H"	61.06479
"411095"	296.935488	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+Na+K"	61.952376
"779744"	429.915138	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+Na+K"	61.952376
"1673890"	163.955838	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Na+K"	61.952376
"257130"	595.934368	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+ACN+Na"	64.015768
"1232023"	329.975068	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+ACN+Na"	64.015768
"1715441"	329.998593	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+NH4+HCOOH"	64.039293
"1181522"	111.642318	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+3Na"	68.967654
"1650357"	334.953988	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Na+HCOOH"	68.994688
"158034"	608.83764	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+2K-H"	76.91904
"599297"	874.79694	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+2K-H"	76.91904
"1089276"	342.87834	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2K-H"	76.91904
"147186"	304.922458	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"2M+2K"	77.926316
"582615"	437.902108	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"3M+2K"	77.926316
"1068748"	171.942808	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2K"	77.926316
"1105568"	344.892892	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2K+H"	78.933592
"1336233"	344.980507	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+DMSO+H"	79.021207
"1010482"	349.019676	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2ACN+H"	83.060376
"1529702"	350.013308	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+IsoProp+Na+H"	84.054008
"992869"	175.013476	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+2ACN+2H"	84.067652
"1588100"	350.927928	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+K+HCOOH"	84.968628
"1415948"	380.959438	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+H+CF3COOH"	115.000138
"1148791"	195.526751	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+3ACN+2H"	125.094202
"1699438"	397.985985	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+NH4+CF3COOH"	132.026685
"1637275"	402.94138	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+Na+CF3COOH"	136.98208
"1581677"	418.91532	"C03339"	"23-Bisphosphoglycerate;Greenwald ester"	"C3H8O10P2"	"265.9593"	"M+K+CF3COOH"	152.95602
"802929"	169.0375	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M"	0
"984481"	150.01911	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-H2O-H"	-19.01839
"71629"	111.684390666667	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M-3H"	-3.021828
"506814"	168.030224	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M-3H"	-3.021828
"883522"	55.3385573333333	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-3H"	-3.021828
"5742"	168.030224	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M-2H"	-2.014552
"444207"	252.548974	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M-2H"	-2.014552
"823104"	83.511474	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-2H"	-2.014552
"88199"	337.067724	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M-H"	-1.007276
"531041"	506.105224	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M-H"	-1.007276
"903375"	168.030224	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-H"	-1.007276
"55563"	354.094271	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M-2H+NH4"	16.019271
"495851"	523.131771	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M-2H+NH4"	16.019271
"870738"	185.056771	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-2H+NH4"	16.019271
"40826"	359.049666	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M-2H+Na"	20.974666
"478201"	528.087166	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M-2H+Na"	20.974666
"856003"	190.012166	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-2H+Na"	20.974666
"1622255"	190.012166	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Na-2H"	20.974666
"104250"	186.018563	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M-H+Cl"	33.962126
"540531"	270.537313	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M-H+Cl"	33.962126
"935139"	101.499813	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-H+Cl"	33.962126
"271509"	373.044402	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+Cl"	34.969402
"662474"	542.081902	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+Cl"	34.969402
"1274389"	204.006902	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Cl"	34.969402
"18525"	375.023606	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M-2H+K"	36.948606
"461738"	544.061106	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M-2H+K"	36.948606
"835170"	205.986106	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-2H+K"	36.948606
"1557930"	205.986106	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+K-2H"	36.948606
"944599"	214.035694	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-H+HCOOH"	44.998194
"363667"	383.073201	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+HCOOH-H"	44.998201
"348644"	397.088851	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+Hac-H"	59.013851
"1501850"	228.051351	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Hac-H"	59.013851
"970487"	236.017651	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-H+NaCOOH"	66.980151
"121581"	204.006902	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+2Cl"	69.938804
"558957"	288.525652	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+2Cl"	69.938804
"1033224"	119.488152	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2Cl"	69.938804
"1250614"	247.956385	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Br"	78.918885
"1314156"	250.012372	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Cl+HCOOH"	80.974872
"1333840"	271.994329	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Cl+NaCOOH"	102.956829
"919431"	282.023086	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M-H+CF3COOH"	112.985586
"1293956"	317.999764	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Cl+CF3COOH"	148.962264
"1379775"	134.024824	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H-2H2O"	-35.012676
"1390707"	152.0348	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H-H2O"	-17.0027
"296960"	339.082276	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+H"	1.007276
"689015"	508.119776	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+H"	1.007276
"1365366"	170.044776	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H"	1.007276
"138987"	170.044776	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+2H"	2.014552
"578182"	254.563526	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+2H"	2.014552
"1049165"	85.526026	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2H"	2.014552
"213785"	113.698942666667	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+3H"	3.021828
"653345"	170.044776	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+3H"	3.021828
"1174753"	57.3531093333333	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+3H"	3.021828
"430371"	356.108823	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+NH4"	18.033823
"791001"	525.146323	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+NH4"	18.033823
"1684050"	187.071323	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+NH4"	18.033823
"334882"	178.5580495	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+H+NH4"	19.041099
"724750"	263.0767995	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+H+NH4"	19.041099
"1478206"	94.0392995	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H+NH4"	19.041099
"396524"	361.064218	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+Na"	22.989218
"762988"	530.101718	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+Na"	22.989218
"1608899"	192.026718	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Na"	22.989218
"314684"	181.035747	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+H+Na"	23.996494
"715742"	265.554497	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+H+Na"	23.996494
"1467377"	96.516997	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H+Na"	23.996494
"1062810"	64.6804233333333	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2H+Na"	25.00377
"1262300"	202.070986	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+CH3OH+H"	33.033486
"391454"	377.038158	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+K"	38.963158
"753793"	546.075658	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+K"	38.963158
"1555116"	208.000658	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+K"	38.963158
"312772"	189.022717	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+H+K"	39.970434
"704829"	273.541467	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+H+K"	39.970434
"1460471"	104.503967	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H+K"	39.970434
"244700"	380.108826	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+ACN+H"	42.033826
"1219595"	211.071326	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+ACN+H"	42.033826
"1203476"	106.039301	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+ACN+2H"	43.041102
"200719"	383.04616	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+2Na-H"	44.97116
"639187"	552.08366	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+2Na-H"	44.97116
"1143785"	214.00866	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2Na-H"	44.97116
"181608"	192.026718	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+2Na"	45.978436
"624449"	276.545468	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+2Na"	45.978436
"1127954"	107.507968	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2Na"	45.978436
"1404918"	72.0077373333333	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H+2Na"	46.985712
"1434850"	216.050246	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H+HCOOH"	47.012746
"223453"	197.05974	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+3H2O+2H"	56.04448
"1512609"	230.10229	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+IsoProp+H"	61.06479
"421045"	200.013688	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+Na+K"	61.952376
"776572"	284.532438	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+Na+K"	61.952376
"1678008"	115.494938	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Na+K"	61.952376
"263071"	402.090768	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+ACN+Na"	64.015768
"1232133"	233.053268	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+ACN+Na"	64.015768
"1715187"	233.076793	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+NH4+HCOOH"	64.039293
"1181998"	79.3350513333333	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+3Na"	68.967654
"1652010"	238.032188	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Na+HCOOH"	68.994688
"159845"	414.99404	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+2K-H"	76.91904
"599407"	584.03154	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+2K-H"	76.91904
"1089386"	245.95654	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2K-H"	76.91904
"148390"	208.000658	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"2M+2K"	77.926316
"582478"	292.519408	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"3M+2K"	77.926316
"1070399"	123.481908	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2K"	77.926316
"1103491"	247.971092	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2K+H"	78.933592
"1336953"	248.058707	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+DMSO+H"	79.021207
"1010592"	252.097876	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2ACN+H"	83.060376
"1527625"	253.091508	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+IsoProp+Na+H"	84.054008
"994072"	126.552576	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+2ACN+2H"	84.067652
"1589667"	254.006128	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+K+HCOOH"	84.968628
"1415693"	284.037638	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+H+CF3COOH"	115.000138
"1149994"	147.065851	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+3ACN+2H"	125.094202
"1702828"	301.064185	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+NH4+CF3COOH"	132.026685
"1637385"	306.01958	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+Na+CF3COOH"	136.98208
"1581787"	321.99352	"C03340"	"L-23-Dihydrodipicolinate;Dihydrodipicolinic acid;Dihydrodipicolinate;23-Dihydrodipicolinate;(S)-23-Dihydropyridine-26-dicarboxylate"	"C7H7NO4"	"169.0375"	"M+K+CF3COOH"	152.95602
"805591"	131.0582	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M"	0
"981311"	112.03981	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"71739"	86.3648573333333	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"506924"	130.050924	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"890193"	42.6787906666667	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"7675"	130.050924	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"443954"	195.580024	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"823943"	64.521824	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"92928"	261.109124	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"531880"	392.167324	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"903485"	130.050924	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"54580"	278.135671	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"494139"	409.193871	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"867569"	147.077471	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"40936"	283.091066	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"476125"	414.149266	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"856113"	152.032866	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1621271"	152.032866	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"99987"	148.039263	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"539547"	213.568363	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"933061"	82.510163	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"271253"	297.085802	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"662948"	428.144002	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1273893"	166.027602	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"17545"	299.065006	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"458568"	430.123206	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"834308"	168.006806	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1559864"	168.006806	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"943371"	176.056394	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"362074"	307.114601	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"348754"	321.130251	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1496493"	190.072051	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"965129"	198.038351	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"121691"	166.027602	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"559067"	231.556702	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1027866"	100.498502	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1256559"	209.977085	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1314266"	212.033072	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1329576"	234.015029	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"919541"	244.043786	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1299534"	280.020464	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1376603"	96.045524	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1390816"	114.0555	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"293785"	263.123676	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"682926"	394.181876	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1365841"	132.065476	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"138733"	132.065476	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"577929"	197.594576	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1050370"	66.536376	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"213895"	88.3794093333333	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"653456"	132.065476	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1173770"	44.6933426666667	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"432667"	280.150223	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"789654"	411.208423	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1685620"	149.092023	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"339366"	140.5787495	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"724133"	206.1078495	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1480140"	75.0496495	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"396634"	285.105618	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"763098"	416.163818	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1609009"	154.047418	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"315159"	143.056447	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"714757"	208.585547	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1467482"	77.527347	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1060733"	52.0206566666667	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1261316"	164.091686	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"390834"	301.079558	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"753778"	432.137758	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1552789"	170.021358	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"313246"	151.043417	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"704576"	216.572517	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1459124"	85.514317	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"241530"	304.150226	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1218612"	173.092026	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1200306"	87.049651	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"196456"	307.08756	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"633829"	438.14576	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1138428"	176.02936	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"179531"	154.047418	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"621279"	219.576518	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1124784"	88.518318	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1403935"	59.3479706666667	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1433867"	178.070946	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"223563"	159.08044	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1511626"	192.12299	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"419698"	162.034388	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"774496"	227.563488	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1677389"	96.505288	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"263545"	326.132168	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1235523"	195.073968	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1714933"	195.097493	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1181015"	66.6752846666667	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1650906"	200.052888	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"158984"	339.03544	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"602798"	470.09364	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1092777"	207.97724	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"142666"	170.021358	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"588060"	235.550458	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1070388"	104.492258	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1104694"	209.991792	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1336940"	210.079407	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1008149"	214.118576	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1528828"	215.112208	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"994182"	107.562926	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1589048"	216.026828	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1417260"	246.058338	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1152291"	128.076201	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1702938"	263.084885	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1638588"	268.04028	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1581897"	284.01422	"C03341"	"2-Amino-4-oxopentanoic acid;2-Amino-4-oxopentanoate"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"802421"	194.0427	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M"	0
"979234"	175.02431	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"68569"	128.354524	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"505941"	193.035424	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"884836"	63.673624	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"5598"	193.035424	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"445158"	290.056774	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"824053"	96.014074	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"91701"	387.078124	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"525796"	581.120824	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"905418"	193.035424	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"57606"	404.104671	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"498259"	598.147371	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"874241"	210.061971	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"39954"	409.060066	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"484862"	603.102766	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"862784"	215.017366	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1627941"	215.017366	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"104470"	211.023763	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"547191"	308.045113	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"938639"	114.002413	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"276102"	423.054802	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"665611"	617.097502	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1278377"	229.012102	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"19113"	425.034006	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"457949"	619.076706	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"833325"	230.991306	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1559974"	230.991306	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"943156"	239.040894	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"362064"	433.083601	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"352144"	447.099251	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1496603"	253.056551	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"971800"	261.022851	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"121801"	229.012102	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"555897"	326.033452	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1030163"	131.990752	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1255577"	272.961585	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1311095"	275.017572	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1329686"	296.999529	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"921838"	307.028286	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1294176"	343.004964	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1376713"	159.030024	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1390926"	177.04	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"293895"	389.092676	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"681942"	583.135376	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1365223"	195.049976	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"140296"	195.049976	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"578040"	292.071326	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1050847"	98.028626	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"218015"	130.369076	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"656846"	195.049976	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1173879"	65.688176	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"438976"	406.119223	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"798148"	600.161923	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1685730"	212.076523	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"340570"	203.5632495	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"732991"	300.5845995	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1486812"	106.5418995	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"403305"	411.074618	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"759930"	605.117318	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1613494"	217.031918	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"319160"	206.040947	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"708300"	303.062297	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1467592"	109.019597	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1060843"	73.01549	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1260332"	227.076186	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"389850"	427.048558	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"753810"	621.091258	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1552899"	233.005858	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"312993"	214.027917	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"705050"	311.049267	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1457411"	117.006567	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"242733"	430.119226	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1217629"	236.076526	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1195676"	118.541901	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"195473"	433.05656	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"632846"	627.09926	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1136351"	239.01386	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"177453"	217.031918	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"623575"	314.053268	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1124893"	120.010568	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1401857"	80.342804	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1433977"	241.055446	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"221484"	222.06494	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1512829"	255.10749	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"412518"	225.018888	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"773513"	322.040238	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1670938"	127.997538	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"254178"	452.101168	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1229073"	258.058468	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1714678"	258.081993	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1183312"	87.670118	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1654298"	263.037388	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"161158"	465.00444	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"602908"	659.04714	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1089607"	270.96174	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"143143"	233.005858	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"589994"	330.027208	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1069032"	135.984508	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1104804"	272.976292	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1336808"	273.063907	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1009352"	277.103076	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1525658"	278.096708	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"991495"	139.055176	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1589157"	279.011328	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1415181"	309.042838	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1148387"	159.568451	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1703048"	326.069385	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1638698"	331.02478	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1582007"	346.99872	"C03342"	"2-Dehydro-D-galactonate"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"805811"	278.1518	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M"	0
"979344"	259.13341	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-H2O-H"	-19.01839
"71960"	184.427257333333	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M-3H"	-3.021828
"506052"	277.144524	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M-3H"	-3.021828
"883853"	91.7099906666667	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-3H"	-3.021828
"5709"	277.144524	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M-2H"	-2.014552
"447455"	416.220424	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M-2H"	-2.014552
"829631"	138.068624	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-2H"	-2.014552
"90719"	555.296324	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M-H"	-1.007276
"532591"	833.448124	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M-H"	-1.007276
"909419"	277.144524	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-H"	-1.007276
"59175"	572.322871	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M-2H+NH4"	16.019271
"498735"	850.474671	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M-2H+NH4"	16.019271
"874351"	294.171071	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-2H+NH4"	16.019271
"41158"	577.278266	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M-2H+Na"	20.974666
"480718"	855.430066	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M-2H+Na"	20.974666
"856332"	299.126466	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-2H+Na"	20.974666
"1628051"	299.126466	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Na-2H"	20.974666
"99112"	295.132863	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M-H+Cl"	33.962126
"541954"	434.208763	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M-H+Cl"	33.962126
"932191"	156.056963	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-H+Cl"	33.962126
"271842"	591.273002	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+Cl"	34.969402
"667541"	869.424802	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+Cl"	34.969402
"1277029"	313.121202	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Cl"	34.969402
"18861"	593.252206	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M-2H+K"	36.948606
"456357"	871.404006	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M-2H+K"	36.948606
"833920"	315.100406	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-2H+K"	36.948606
"1566646"	315.100406	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+K-2H"	36.948606
"950155"	323.149994	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-H+HCOOH"	44.998194
"367277"	601.301801	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+HCOOH-H"	44.998201
"354441"	615.317451	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+Hac-H"	59.013851
"1496713"	337.165651	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Hac-H"	59.013851
"973007"	345.131951	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-H+NaCOOH"	66.980151
"121911"	313.121202	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+2Cl"	69.938804
"564027"	452.197102	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+2Cl"	69.938804
"1035377"	174.045302	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2Cl"	69.938804
"1247664"	357.070685	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Br"	78.918885
"1314487"	359.126672	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Cl+HCOOH"	80.974872
"1328705"	381.108629	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Cl+NaCOOH"	102.956829
"921950"	391.137386	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M-H+CF3COOH"	112.985586
"1293193"	427.114064	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Cl+CF3COOH"	148.962264
"1380472"	243.139124	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H-2H2O"	-35.012676
"1395411"	261.1491	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H-H2O"	-17.0027
"292912"	557.310876	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+H"	1.007276
"683146"	835.462676	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+H"	1.007276
"1363142"	279.159076	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H"	1.007276
"140653"	279.159076	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+2H"	2.014552
"578878"	418.234976	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+2H"	2.014552
"1051688"	140.083176	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2H"	2.014552
"215210"	186.441809333333	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+3H"	3.021828
"656594"	279.159076	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+3H"	3.021828
"1172896"	93.7245426666667	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+3H"	3.021828
"437992"	574.337423	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+NH4"	18.033823
"798258"	852.489223	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+NH4"	18.033823
"1688028"	296.185623	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+NH4"	18.033823
"338494"	287.6723495	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+H+NH4"	19.041099
"733101"	426.7482495	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+H+NH4"	19.041099
"1484736"	148.5964495	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H+NH4"	19.041099
"399041"	579.292818	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+Na"	22.989218
"763320"	857.444618	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+Na"	22.989218
"1615429"	301.141018	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Na"	22.989218
"320365"	290.150047	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+H+Na"	23.996494
"710600"	429.225947	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+H+Na"	23.996494
"1463323"	151.074147	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H+Na"	23.996494
"1060953"	101.051856666667	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2H+Na"	25.00377
"1262628"	311.185286	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+CH3OH+H"	33.033486
"391053"	595.266758	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+K"	38.963158
"753998"	873.418558	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+K"	38.963158
"1552888"	317.114958	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+K"	38.963158
"313590"	298.137017	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+H+K"	39.970434
"705768"	437.212917	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+H+K"	39.970434
"1454242"	159.061117	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H+K"	39.970434
"241750"	598.337426	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+ACN+H"	42.033826
"1222114"	320.185626	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+ACN+H"	42.033826
"1198338"	160.596451	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+ACN+2H"	43.041102
"199956"	601.27476	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+2Na-H"	44.97116
"636235"	879.42656	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+2Na-H"	44.97116
"1143387"	323.12296	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2Na-H"	44.97116
"179749"	301.141018	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+2Na"	45.978436
"622592"	440.216918	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+2Na"	45.978436
"1125735"	162.065118	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2Na"	45.978436
"1404154"	108.379170666667	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H+2Na"	46.985712
"1431899"	325.164546	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H+HCOOH"	47.012746
"223781"	306.17404	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+3H2O+2H"	56.04448
"1515490"	339.21659	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+IsoProp+H"	61.06479
"414815"	309.127988	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+Na+K"	61.952376
"776903"	448.203888	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+Na+K"	61.952376
"1671048"	170.052088	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Na+K"	61.952376
"254288"	620.319368	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+ACN+Na"	64.015768
"1229183"	342.167568	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+ACN+Na"	64.015768
"1716975"	342.191093	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+NH4+HCOOH"	64.039293
"1184516"	115.706484666667	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+3Na"	68.967654
"1654409"	347.146488	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Na+HCOOH"	68.994688
"163458"	633.22264	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+2K-H"	76.91904
"598645"	911.37444	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+2K-H"	76.91904
"1092998"	355.07084	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2K-H"	76.91904
"147628"	317.114958	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"2M+2K"	77.926316
"591562"	456.190858	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"3M+2K"	77.926316
"1069997"	178.039058	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2K"	77.926316
"1104914"	357.085392	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2K+H"	78.933592
"1337285"	357.173007	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+DMSO+H"	79.021207
"1007276"	361.212176	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2ACN+H"	83.060376
"1524664"	362.205808	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+IsoProp+Na+H"	84.054008
"990874"	181.109726	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+2ACN+2H"	84.067652
"1587480"	363.120428	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+K+HCOOH"	84.968628
"1414926"	393.151938	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+H+CF3COOH"	115.000138
"1147405"	201.623001	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+3ACN+2H"	125.094202
"1699878"	410.178485	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+NH4+CF3COOH"	132.026685
"1642088"	415.13388	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+Na+CF3COOH"	136.98208
"1582117"	431.10782	"C03343"	"2-Ethylhexyl phthalate"	"C16H22O4"	"278.1518"	"M+K+CF3COOH"	152.95602
"809202"	865.152	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M"	0
"982734"	846.13361	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-H2O-H"	-19.01839
"78493"	575.760724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M-3H"	-3.021828
"518070"	864.144724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M-3H"	-3.021828
"895470"	287.376724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-3H"	-3.021828
"11287"	864.144724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M-2H"	-2.014552
"451940"	1296.720724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M-2H"	-2.014552
"829742"	431.568724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-2H"	-2.014552
"94080"	1729.296724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M-H"	-1.007276
"533565"	2594.448724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M-H"	-1.007276
"911037"	864.144724	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-H"	-1.007276
"59285"	1746.323271	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M-2H+NH4"	16.019271
"502131"	2611.475271	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M-2H+NH4"	16.019271
"873366"	881.171271	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-2H+NH4"	16.019271
"43455"	1751.278666	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M-2H+Na"	20.974666
"484109"	2616.430666	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M-2H+Na"	20.974666
"859724"	886.126666	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-2H+Na"	20.974666
"1625977"	886.126666	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Na-2H"	20.974666
"101410"	882.133063	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M-H+Cl"	33.962126
"543160"	1314.709063	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M-H+Cl"	33.962126
"933396"	449.557063	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-H+Cl"	33.962126
"275234"	1765.273402	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+Cl"	34.969402
"665469"	2630.425402	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+Cl"	34.969402
"1277873"	900.121402	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Cl"	34.969402
"26990"	1767.252606	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M-2H+K"	36.948606
"459992"	2632.404606	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M-2H+K"	36.948606
"834514"	902.100606	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-2H+K"	36.948606
"1555856"	902.100606	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+K-2H"	36.948606
"950264"	910.150194	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-H+HCOOH"	44.998194
"362647"	1775.302201	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+HCOOH-H"	44.998201
"356740"	1789.317851	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+Hac-H"	59.013851
"1505573"	924.165851	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Hac-H"	59.013851
"973241"	932.132151	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-H+NaCOOH"	66.980151
"123845"	900.121402	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+2Cl"	69.938804
"558304"	1332.697402	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+2Cl"	69.938804
"1035853"	467.545402	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2Cl"	69.938804
"1253242"	944.070885	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Br"	78.918885
"1313504"	946.126872	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Cl+HCOOH"	80.974872
"1325535"	968.108829	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Cl+NaCOOH"	102.956829
"918781"	978.137586	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M-H+CF3COOH"	112.985586
"1294395"	1014.114264	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Cl+CF3COOH"	148.962264
"1379123"	830.139324	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H-2H2O"	-35.012676
"1392241"	848.1493	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H-H2O"	-17.0027
"297398"	1731.311276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+H"	1.007276
"689090"	2596.463276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+H"	1.007276
"1365689"	866.159276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H"	1.007276
"138694"	866.159276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+2H"	2.014552
"580446"	1298.735276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+2H"	2.014552
"1052164"	433.583276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2H"	2.014552
"217142"	577.775276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+3H"	3.021828
"659897"	866.159276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+3H"	3.021828
"1176286"	289.391276	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+3H"	3.021828
"437372"	1748.337823	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+NH4"	18.033823
"799097"	2613.489823	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+NH4"	18.033823
"1685220"	883.185823	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+NH4"	18.033823
"345415"	874.6725495	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+H+NH4"	19.041099
"733211"	1307.2485495	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+H+NH4"	19.041099
"1485939"	442.0965495	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H+NH4"	19.041099
"406806"	1753.293218	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+Na"	22.989218
"763429"	2618.445218	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+Na"	22.989218
"1610433"	888.141218	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Na"	22.989218
"324849"	877.150247	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+H+Na"	23.996494
"712896"	1309.726247	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+H+Na"	23.996494
"1472186"	444.574247	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H+Na"	23.996494
"1058871"	296.71859	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2H+Na"	25.00377
"1263834"	898.185486	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+CH3OH+H"	33.033486
"387883"	1769.267158	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+K"	38.963158
"751798"	2634.419158	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+K"	38.963158
"1553849"	904.115158	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+K"	38.963158
"313820"	885.137217	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+H+K"	39.970434
"706486"	1317.713217	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+H+K"	39.970434
"1454352"	452.561217	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H+K"	39.970434
"239673"	1772.337826	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+ACN+H"	42.033826
"1218944"	907.185826	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+ACN+H"	42.033826
"1203917"	454.096551	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+ACN+2H"	43.041102
"198974"	1775.27516	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+2Na-H"	44.97116
"639627"	2640.42716	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+2Na-H"	44.97116
"1137665"	910.12316	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2Na-H"	44.97116
"184603"	888.141218	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+2Na"	45.978436
"624163"	1320.717218	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+2Na"	45.978436
"1128399"	455.565218	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2Na"	45.978436
"1408639"	304.045904	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H+2Na"	46.985712
"1435289"	912.164746	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H+HCOOH"	47.012746
"223891"	893.17424	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+3H2O+2H"	56.04448
"1517423"	926.21679	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+IsoProp+H"	61.06479
"416384"	896.128188	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+Na+K"	61.952376
"777013"	1328.704188	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+Na+K"	61.952376
"1675898"	463.552188	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Na+K"	61.952376
"263511"	1794.319768	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+ACN+Na"	64.015768
"1234761"	929.167768	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+ACN+Na"	64.015768
"1722554"	929.191293	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+NH4+HCOOH"	64.039293
"1188271"	311.373218	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+3Na"	68.967654
"1656707"	934.146688	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Na+HCOOH"	68.994688
"167578"	1807.22304	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+2K-H"	76.91904
"608232"	2672.37504	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+2K-H"	76.91904
"1093838"	942.07104	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2K-H"	76.91904
"151747"	904.115158	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"2M+2K"	77.926316
"588392"	1336.691158	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"3M+2K"	77.926316
"1070472"	471.539158	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2K"	77.926316
"1100278"	944.085592	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2K+H"	78.933592
"1335889"	944.173207	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+DMSO+H"	79.021207
"1006776"	948.212376	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2ACN+H"	83.060376
"1525264"	949.206008	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+IsoProp+Na+H"	84.054008
"990128"	474.609826	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+2ACN+2H"	84.067652
"1587469"	950.120628	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+K+HCOOH"	84.968628
"1414914"	980.152138	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+H+CF3COOH"	115.000138
"1148243"	495.123101	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+3ACN+2H"	125.094202
"1701081"	997.178685	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+NH4+CF3COOH"	132.026685
"1644385"	1002.13408	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+Na+CF3COOH"	136.98208
"1582227"	1018.10802	"C03344"	"2-Methylacetoacetyl-CoA;2-Methyl-3-acetoacetyl-CoA"	"C26H42N7O18P3S"	"865.152"	"M+K+CF3COOH"	152.95602
"802751"	849.1571	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M"	0
"979564"	830.13871	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H2O-H"	-19.01839
"68900"	565.097457333333	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-3H"	-3.021828
"503355"	848.149824	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-3H"	-3.021828
"887354"	282.045090666667	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-3H"	-3.021828
"10303"	848.149824	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H"	-2.014552
"445489"	1272.728374	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H"	-2.014552
"826572"	423.571274	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H"	-2.014552
"92034"	1697.306924	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H"	-1.007276
"533661"	2546.464024	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H"	-1.007276
"907206"	848.149824	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H"	-1.007276
"58301"	1714.333471	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+NH4"	16.019271
"497861"	2563.490571	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+NH4"	16.019271
"872382"	865.176371	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+NH4"	16.019271
"42471"	1719.288866	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+Na"	20.974666
"482032"	2568.445966	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+Na"	20.974666
"855460"	870.131766	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+Na"	20.974666
"1622807"	870.131766	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na-2H"	20.974666
"100427"	866.138163	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H+Cl"	33.962126
"538896"	1290.716713	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H+Cl"	33.962126
"930226"	441.559613	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+Cl"	33.962126
"269876"	1733.283602	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Cl"	34.969402
"665579"	2582.440702	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Cl"	34.969402
"1280170"	884.126502	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl"	34.969402
"20539"	1735.262806	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+K"	36.948606
"457916"	2584.419906	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+K"	36.948606
"833894"	886.105706	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+K"	36.948606
"1555843"	886.105706	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K-2H"	36.948606
"948187"	894.155294	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+HCOOH"	44.998194
"362757"	1743.312401	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+HCOOH-H"	44.998201
"354662"	1757.328051	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Hac-H"	59.013851
"1503496"	908.170951	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Hac-H"	59.013851
"973714"	916.137251	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+NaCOOH"	66.980151
"124927"	884.126502	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Cl"	69.938804
"558413"	1308.705052	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Cl"	69.938804
"1030492"	459.547952	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Cl"	69.938804
"1253352"	928.075985	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Br"	78.918885
"1315801"	930.131972	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+HCOOH"	80.974872
"1327832"	952.113929	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+NaCOOH"	102.956829
"918891"	962.142686	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+CF3COOH"	112.985586
"1289402"	998.119364	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+CF3COOH"	148.962264
"1376680"	814.144424	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-2H2O"	-35.012676
"1395634"	832.1544	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-H2O"	-17.0027
"295690"	1699.321476	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H"	1.007276
"688472"	2548.478576	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H"	1.007276
"1365921"	850.164376	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H"	1.007276
"137712"	850.164376	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2H"	2.014552
"578733"	1274.742926	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2H"	2.014552
"1051543"	425.585826	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H"	2.014552
"216524"	567.112009333333	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H"	3.021828
"657543"	850.164376	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+3H"	3.021828
"1174939"	284.059642666667	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3H"	3.021828
"437118"	1716.348023	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+NH4"	18.033823
"795928"	2565.505123	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+NH4"	18.033823
"1687154"	867.190923	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4"	18.033823
"343089"	858.6776495	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+NH4"	19.041099
"730041"	1283.2561995	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+NH4"	19.041099
"1488601"	434.0990995	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+NH4"	19.041099
"403636"	1721.303418	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na"	22.989218
"763539"	2570.460518	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na"	22.989218
"1607262"	872.146318	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na"	22.989218
"322773"	861.155347	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+Na"	23.996494
"717381"	1285.733897	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+Na"	23.996494
"1471204"	436.576797	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+Na"	23.996494
"1057888"	291.386956666667	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H+Na"	25.00377
"1262851"	882.190586	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+CH3OH+H"	33.033486
"385801"	1737.277358	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+K"	38.963158
"752272"	2586.434458	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+K"	38.963158
"1555051"	888.120258	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K"	38.963158
"313686"	869.142317	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+K"	39.970434
"706637"	1293.720867	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+K"	39.970434
"1459929"	444.563767	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+K"	39.970434
"243063"	1740.348026	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+H"	42.033826
"1216867"	891.190926	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+H"	42.033826
"1200745"	446.099101	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+2H"	43.041102
"194709"	1743.28536	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na-H"	44.97116
"635363"	2592.44246	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na-H"	44.97116
"1138868"	894.12826	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na-H"	44.97116
"183982"	872.146318	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na"	45.978436
"619534"	1296.724868	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na"	45.978436
"1125226"	447.567768	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na"	45.978436
"1409842"	298.714270666667	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+2Na"	46.985712
"1434306"	896.169846	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+HCOOH"	47.012746
"224001"	877.17934	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H2O+2H"	56.04448
"1516439"	910.22189	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+H"	61.06479
"419774"	880.133288	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na+K"	61.952376
"777123"	1304.711838	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na+K"	61.952376
"1676737"	455.554738	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+K"	61.952376
"263257"	1762.329968	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+Na"	64.015768
"1235964"	913.172868	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+Na"	64.015768
"1721569"	913.196393	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+HCOOH"	64.039293
"1189111"	306.041584666667	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3Na"	68.967654
"1659004"	918.151788	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+HCOOH"	68.994688
"168052"	1775.23324	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K-H"	76.91904
"608342"	2624.39034	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K-H"	76.91904
"1096135"	926.07614	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K-H"	76.91904
"151857"	888.120258	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K"	77.926316
"588502"	1312.698808	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K"	77.926316
"1069976"	463.541708	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K"	77.926316
"1100390"	928.090692	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K+H"	78.933592
"1338235"	928.178307	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+DMSO+H"	79.021207
"1006277"	932.217476	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+H"	83.060376
"1524278"	933.211108	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+Na+H"	84.054008
"990008"	466.612376	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+2H"	84.067652
"1587215"	934.125728	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+HCOOH"	84.968628
"1415024"	964.157238	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+CF3COOH"	115.000138
"1147256"	487.125651	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3ACN+2H"	125.094202
"1703378"	981.183785	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+CF3COOH"	132.026685
"1644495"	986.13918	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+CF3COOH"	136.98208
"1582337"	1002.11312	"C03345"	"2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;Tiglyl-CoA;(E)-2-Methylcrotonoyl-CoA;Methylcrotonoyl-CoA;Methylcrotonyl-CoA;Tigloyl-CoA;2-Methylcrotanoyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+CF3COOH"	152.95602
"802861"	248.9959	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M"	0
"985871"	229.97751	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-H2O-H"	-19.01839
"75572"	164.989990666667	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M-3H"	-3.021828
"516954"	247.988624	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M-3H"	-3.021828
"894758"	81.9913573333333	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-3H"	-3.021828
"10414"	247.988624	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M-2H"	-2.014552
"447789"	372.486574	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M-2H"	-2.014552
"826683"	123.490674	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-2H"	-2.014552
"86675"	496.984524	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M-H"	-1.007276
"530610"	745.980424	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M-H"	-1.007276
"908411"	247.988624	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-H"	-1.007276
"61695"	514.011071	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M-2H+NH4"	16.019271
"500159"	763.006971	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M-2H+NH4"	16.019271
"879178"	265.015171	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-2H+NH4"	16.019271
"45134"	518.966466	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M-2H+Na"	20.974666
"485179"	767.962366	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M-2H+Na"	20.974666
"862130"	269.970566	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-2H+Na"	20.974666
"1627290"	269.970566	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Na-2H"	20.974666
"101632"	265.976963	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M-H+Cl"	33.962126
"541192"	390.474913	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M-H+Cl"	33.962126
"934710"	141.479013	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-H+Cl"	33.962126
"275454"	532.961202	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+Cl"	34.969402
"666783"	781.957102	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+Cl"	34.969402
"1280280"	283.965302	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Cl"	34.969402
"20649"	534.940406	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M-2H+K"	36.948606
"458026"	783.936306	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M-2H+K"	36.948606
"833189"	285.944506	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-2H+K"	36.948606
"1558225"	285.944506	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+K-2H"	36.948606
"954858"	293.994094	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-H+HCOOH"	44.998194
"366513"	542.990001	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+HCOOH-H"	44.998201
"354772"	557.005651	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+Hac-H"	59.013851
"1503606"	308.009751	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Hac-H"	59.013851
"971149"	315.976051	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-H+NaCOOH"	66.980151
"122972"	283.965302	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+2Cl"	69.938804
"558522"	408.463252	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+2Cl"	69.938804
"1031697"	159.467352	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2Cl"	69.938804
"1254193"	327.914785	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Br"	78.918885
"1314819"	329.970772	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Cl+HCOOH"	80.974872
"1325025"	351.952729	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Cl+NaCOOH"	102.956829
"922281"	361.981486	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M-H+CF3COOH"	112.985586
"1298990"	397.958164	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Cl+CF3COOH"	148.962264
"1376790"	213.983224	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H-2H2O"	-35.012676
"1394653"	231.9932	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H-H2O"	-17.0027
"295800"	498.999076	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+H"	1.007276
"688952"	747.994976	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+H"	1.007276
"1364572"	250.003176	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H"	1.007276
"139648"	250.003176	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+2H"	2.014552
"578114"	374.501126	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+2H"	2.014552
"1050195"	125.505226	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2H"	2.014552
"218579"	167.004542666667	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+3H"	3.021828
"655831"	250.003176	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+3H"	3.021828
"1176144"	84.0059093333333	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+3H"	3.021828
"434677"	516.025623	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+NH4"	18.033823
"790933"	765.021523	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+NH4"	18.033823
"1686169"	267.029723	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+NH4"	18.033823
"335542"	258.5164495	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+H+NH4"	19.041099
"726871"	383.0143995	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+H+NH4"	19.041099
"1480691"	134.0184995	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H+NH4"	19.041099
"399372"	520.981018	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+Na"	22.989218
"765836"	769.976918	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+Na"	22.989218
"1617216"	271.985118	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Na"	22.989218
"322884"	260.994147	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+H+Na"	23.996494
"714212"	385.492097	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+H+Na"	23.996494
"1463049"	136.496197	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H+Na"	23.996494
"1060184"	91.3332233333333	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2H+Na"	25.00377
"1259676"	282.029386	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+CH3OH+H"	33.033486
"385911"	536.954958	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+K"	38.963158
"751286"	785.950858	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+K"	38.963158
"1552245"	287.959058	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+K"	38.963158
"309422"	268.981117	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+H+K"	39.970434
"696378"	393.479067	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+H+K"	39.970434
"1448011"	144.483167	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H+K"	39.970434
"237707"	540.025626	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+ACN+H"	42.033826
"1213695"	291.029726	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+ACN+H"	42.033826
"1197938"	146.018501	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+ACN+2H"	43.041102
"195911"	542.96296	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+2Na-H"	44.97116
"635473"	791.95886	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+2Na-H"	44.97116
"1137886"	293.96706	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2Na-H"	44.97116
"176802"	271.985118	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+2Na"	45.978436
"618550"	396.483068	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+2Na"	45.978436
"1118776"	147.487168	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2Na"	45.978436
"1401204"	98.6605373333333	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H+2Na"	46.985712
"1431136"	296.008646	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H+HCOOH"	47.012746
"221923"	277.01814	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+3H2O+2H"	56.04448
"1515456"	310.06069	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+IsoProp+H"	61.06479
"417332"	279.972088	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+Na+K"	61.952376
"778326"	404.470038	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+Na+K"	61.952376
"1677941"	155.474138	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Na+K"	61.952376
"262274"	562.007568	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+ACN+Na"	64.015768
"1237170"	313.011668	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+ACN+Na"	64.015768
"1725326"	313.035193	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+NH4+HCOOH"	64.039293
"1187035"	105.987851333333	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+3Na"	68.967654
"1660210"	317.990588	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Na+HCOOH"	68.994688
"168892"	574.91084	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+2K-H"	76.91904
"611004"	823.90674	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+2K-H"	76.91904
"1096975"	325.91494	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2K-H"	76.91904
"155613"	287.959058	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"2M+2K"	77.926316
"595175"	412.457008	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"3M+2K"	77.926316
"1081871"	163.461108	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2K"	77.926316
"1107427"	327.929492	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2K+H"	78.933592
"1336764"	328.017107	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+DMSO+H"	79.021207
"1007970"	332.056276	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2ACN+H"	83.060376
"1524513"	333.049908	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+IsoProp+Na+H"	84.054008
"989936"	166.531776	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+2ACN+2H"	84.067652
"1587772"	333.964528	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+K+HCOOH"	84.968628
"1414296"	363.996038	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+H+CF3COOH"	115.000138
"1148830"	187.045051	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+3ACN+2H"	125.094202
"1697283"	381.022585	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+NH4+CF3COOH"	132.026685
"1634275"	385.97798	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+Na+CF3COOH"	136.98208
"1582447"	401.95192	"C03347"	"35-Dichloro-L-tyrosine"	"C9H9Cl2NO3"	"248.9959"	"M+K+CF3COOH"	152.95602
"816095"	148.0736	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M"	0
"986346"	129.05521	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"69120"	97.7084573333333	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"511960"	147.066324	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"890854"	48.3505906666667	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"11617"	147.066324	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"445711"	221.103124	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"823513"	73.029524	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"88972"	295.139924	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"530721"	443.213524	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"910226"	147.066324	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"60956"	312.166471	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"501244"	460.240071	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"878069"	164.092871	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"45370"	317.121866	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"484440"	465.195466	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"862243"	169.048266	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1627401"	169.048266	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"101743"	165.054663	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"540208"	239.091463	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"934819"	91.017863	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"274470"	331.116602	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"666893"	479.190202	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1280390"	183.043002	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"18572"	333.095806	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"456553"	481.169406	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"833751"	185.022206	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1559429"	185.022206	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"950592"	193.071794	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"369902"	341.145401	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"353789"	355.161051	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1503716"	207.087451	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"967976"	215.053751	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"120166"	183.043002	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"558632"	257.079802	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1032900"	109.006202	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1254303"	226.992485	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1316023"	229.048472	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1328052"	251.030429	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"922391"	261.059186	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1298007"	297.035864	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1375078"	113.060924	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1395491"	131.0709	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"296640"	297.154476	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"690400"	445.228076	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1366141"	149.080876	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"140487"	149.080876	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"580413"	223.117676	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1050671"	75.044076	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"217717"	99.7230093333333	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"657766"	149.080876	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1176496"	50.3651426666667	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"433329"	314.181023	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"792135"	462.254623	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1689557"	166.107423	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"335652"	157.5941495	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"728074"	231.6309495	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1481894"	83.5573495	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"398389"	319.136418	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"765582"	467.210018	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1615506"	171.062818	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"325182"	160.071847	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"716510"	234.108647	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1473246"	86.035047	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1065397"	57.6924566666667	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1260880"	181.107086	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"385657"	335.110358	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"752489"	483.183958	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1553812"	187.036758	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"310989"	168.058817	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"704138"	242.095617	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1453588"	94.022017	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"243284"	338.181026	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1211617"	190.107426	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1200964"	95.557351	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"194927"	341.11836	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"636676"	489.19196	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1137996"	193.04476	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"181283"	171.062818	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"620843"	245.099618	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1122162"	97.026018	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1405686"	65.0197706666667	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1435622"	195.086346	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"226412"	176.09584	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1519945"	209.13839	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"417443"	179.049788	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"775159"	253.086588	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1673676"	105.012988	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"264939"	360.162968	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1235093"	212.089368	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1725441"	212.112893	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1186053"	72.3470846666667	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1661412"	217.068288	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"167180"	373.06624	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"611115"	521.13984	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1098058"	224.99264	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"155482"	187.036758	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"593825"	261.073558	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1073236"	112.999958	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1104259"	227.007192	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1337726"	227.094807	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1009175"	231.133976	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1526208"	232.127608	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"993019"	116.070626	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1588613"	233.042228	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1414221"	263.073738	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1147483"	136.583901	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1707971"	280.100285	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1639248"	285.05568	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1582557"	301.02962	"C03348"	"36-Dideoxy-L-galactose;Colitose;36-Dideoxy-L-xylo-hexose"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"803081"	139.0303	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M"	0
"982081"	120.01191	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-H2O-H"	-19.01839
"69230"	91.6795906666667	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M-3H"	-3.021828
"509883"	138.023024	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M-3H"	-3.021828
"894246"	45.3361573333333	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-3H"	-3.021828
"11725"	138.023024	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M-2H"	-2.014552
"445820"	207.538174	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M-2H"	-2.014552
"823621"	68.507874	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-2H"	-2.014552
"89080"	277.053324	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M-H"	-1.007276
"529734"	416.083624	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M-H"	-1.007276
"909968"	138.023024	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-H"	-1.007276
"57537"	294.079871	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M-2H+NH4"	16.019271
"501471"	433.110171	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M-2H+NH4"	16.019271
"879154"	155.049571	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-2H+NH4"	16.019271
"44261"	299.035266	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M-2H+Na"	20.974666
"482361"	438.065566	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M-2H+Na"	20.974666
"861257"	160.004966	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-2H+Na"	20.974666
"1625325"	160.004966	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Na-2H"	20.974666
"102947"	156.011363	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M-H+Cl"	33.962126
"539590"	225.526513	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M-H+Cl"	33.962126
"933837"	86.496213	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-H+Cl"	33.962126
"271300"	313.030002	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+Cl"	34.969402
"667002"	452.060302	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+Cl"	34.969402
"1277221"	173.999702	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Cl"	34.969402
"18683"	315.009206	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M-2H+K"	36.948606
"457153"	454.039506	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M-2H+K"	36.948606
"833494"	175.978906	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-2H+K"	36.948606
"1562820"	175.978906	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+K-2H"	36.948606
"956172"	184.028494	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-H+HCOOH"	44.998194
"370013"	323.058801	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+HCOOH-H"	44.998201
"356816"	337.074451	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+Hac-H"	59.013851
"1503826"	198.044151	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Hac-H"	59.013851
"964806"	206.010451	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-H+NaCOOH"	66.980151
"124530"	173.999702	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+2Cl"	69.938804
"560931"	243.514852	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+2Cl"	69.938804
"1033010"	104.484552	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2Cl"	69.938804
"1255871"	217.949185	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Br"	78.918885
"1312853"	220.005172	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Cl+HCOOH"	80.974872
"1324883"	241.987129	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Cl+NaCOOH"	102.956829
"917034"	252.015886	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M-H+CF3COOH"	112.985586
"1297023"	287.992564	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Cl+CF3COOH"	148.962264
"1374095"	104.017624	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H-2H2O"	-35.012676
"1390497"	122.0276	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H-H2O"	-17.0027
"297480"	279.067876	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+H"	1.007276
"690996"	418.098176	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+H"	1.007276
"1365884"	140.037576	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H"	1.007276
"140232"	140.037576	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+2H"	2.014552
"579794"	209.552726	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+2H"	2.014552
"1050416"	70.522426	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2H"	2.014552
"219044"	93.6941426666667	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+3H"	3.021828
"657146"	140.037576	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+3H"	3.021828
"1173446"	47.3507093333333	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+3H"	3.021828
"435626"	296.094423	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+NH4"	18.033823
"792246"	435.124723	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+NH4"	18.033823
"1690761"	157.064123	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+NH4"	18.033823
"339042"	148.5508495	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+H+NH4"	19.041099
"730370"	218.0659995	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+H+NH4"	19.041099
"1483097"	79.0356995	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H+NH4"	19.041099
"399593"	301.049818	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+Na"	22.989218
"765692"	440.080118	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+Na"	22.989218
"1615980"	162.019518	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Na"	22.989218
"323106"	151.028547	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+H+Na"	23.996494
"717713"	220.543697	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+H+Na"	23.996494
"1474084"	81.513397	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H+Na"	23.996494
"1063685"	54.6780233333333	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2H+Na"	25.00377
"1260991"	172.063786	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+CH3OH+H"	33.033486
"381758"	317.023758	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+K"	38.963158
"746040"	456.054058	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+K"	38.963158
"1553558"	177.993458	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+K"	38.963158
"309641"	159.015517	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+H+K"	39.970434
"704977"	228.530667	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+H+K"	39.970434
"1450418"	89.500367	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H+K"	39.970434
"236103"	320.094426	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+ACN+H"	42.033826
"1210104"	181.064126	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+ACN+H"	42.033826
"1198885"	91.035701	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+ACN+2H"	43.041102
"195037"	323.03176	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+2Na-H"	44.97116
"633504"	462.06206	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+2Na-H"	44.97116
"1134825"	184.00146	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2Na-H"	44.97116
"180299"	162.019518	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+2Na"	45.978436
"617672"	231.534668	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+2Na"	45.978436
"1120085"	92.504368	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2Na"	45.978436
"1403609"	62.0053373333333	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H+2Na"	46.985712
"1432453"	186.043046	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H+HCOOH"	47.012746
"227616"	167.05254	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+3H2O+2H"	56.04448
"1517868"	200.09509	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+IsoProp+H"	61.06479
"415366"	170.006488	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+Na+K"	61.952376
"777455"	239.521638	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+Na+K"	61.952376
"1676702"	100.491338	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Na+K"	61.952376
"259211"	342.076368	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+ACN+Na"	64.015768
"1237389"	203.046068	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+ACN+Na"	64.015768
"1726276"	203.069593	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+NH4+HCOOH"	64.039293
"1190536"	69.3326513333333	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+3Na"	68.967654
"1662616"	208.024988	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Na+HCOOH"	68.994688
"169113"	354.97964	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+2K-H"	76.91904
"611226"	494.00994	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+2K-H"	76.91904
"1094642"	215.94934	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2K-H"	76.91904
"155834"	177.993458	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"2M+2K"	77.926316
"596122"	247.508608	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"3M+2K"	77.926316
"1075533"	108.478308	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2K"	77.926316
"1104369"	217.963892	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2K+H"	78.933592
"1336743"	218.051507	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+DMSO+H"	79.021207
"1009649"	222.090676	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2ACN+H"	83.060376
"1525223"	223.084308	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+IsoProp+Na+H"	84.054008
"992765"	111.548976	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+2ACN+2H"	84.067652
"1589086"	223.998928	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+K+HCOOH"	84.968628
"1414506"	254.030438	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+H+CF3COOH"	115.000138
"1147835"	132.062251	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+3ACN+2H"	125.094202
"1706988"	271.056985	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+NH4+CF3COOH"	132.026685
"1638265"	276.01238	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+Na+CF3COOH"	136.98208
"1582667"	291.98632	"C03349"	"3-Aminopropanesulfonate;3-Amino-1-propanesulfonic acid"	"C3H9NO3S"	"139.0303"	"M+K+CF3COOH"	152.95602
"806471"	124.0524	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M"	0
"983284"	105.03401	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"69340"	81.694324	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"509993"	123.045124	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"895045"	40.343524	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"10742"	123.045124	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"450300"	185.071324	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"827011"	61.018924	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"92106"	247.097524	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"529843"	371.149924	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"905459"	123.045124	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"56554"	264.124071	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"497207"	388.176471	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"878656"	140.071671	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"42910"	269.079466	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"484658"	393.131866	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"862460"	145.027066	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1630902"	145.027066	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"106337"	141.033463	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"539336"	203.059663	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"935040"	79.007263	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"272503"	283.074202	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"667112"	407.126602	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1277330"	159.021802	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"18793"	285.053406	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"457018"	409.105806	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"835065"	161.001006	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1562929"	161.001006	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"955189"	169.050594	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"370123"	293.103001	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"355100"	307.118651	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1503936"	183.066251	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"964916"	191.032551	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"124761"	159.021802	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"558852"	221.048002	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1032027"	96.995602	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1255617"	202.971285	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1306037"	205.027272	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1323898"	227.009229	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"916415"	237.037986	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1297133"	273.014664	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1377484"	89.039724	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1389514"	107.0497	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"298320"	249.112076	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"690617"	373.164476	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1363439"	125.059676	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"139976"	125.059676	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"580632"	187.085876	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1050161"	63.033476	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"218789"	83.708876	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"657256"	125.059676	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1173556"	42.358076	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"434643"	266.138623	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"792356"	390.191023	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1689777"	142.086223	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"335873"	133.5729495	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"726108"	195.5991495	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1481021"	71.5467495	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"399703"	271.094018	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"765073"	395.146418	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1617182"	147.041618	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"324307"	136.050647	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"715634"	198.076847	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1467265"	74.024447	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1062702"	49.68539	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1262196"	157.085886	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"381868"	287.067958	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"750522"	411.120358	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1551482"	163.015558	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"308655"	144.037617	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"703264"	206.063817	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1453808"	82.011417	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"241316"	290.138626	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1214026"	166.086226	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1198996"	83.546751	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"194056"	293.07596	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"632522"	417.12836	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1134936"	169.02356	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"176036"	147.041618	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"617785"	209.067818	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1121290"	85.015418	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1399830"	57.012704	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1430616"	171.065146	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"222257"	152.07464	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1516884"	185.11719	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"412196"	155.028588	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"778659"	217.054788	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1673897"	93.002388	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"259321"	312.120568	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1235313"	188.068168	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1722012"	188.091693	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1187366"	64.340018	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1656165"	193.047088	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"165214"	325.02384	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"610241"	449.07624	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1095845"	200.97144	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"156191"	163.015558	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"595504"	225.041758	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1074549"	100.989358	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1103019"	202.985992	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1339040"	203.073607	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1014862"	207.112776	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1527521"	208.106408	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"995062"	104.060026	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1590657"	209.021028	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1415589"	239.052538	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1147701"	124.573301	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1707098"	256.079085	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1638375"	261.03448	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1582777"	277.00842	"C03351"	"3-Hydroxybenzyl alcohol;3-Hydroxybenzenemethanol"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"803301"	138.0681	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M"	0
"983394"	119.04971	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-H2O-H"	-19.01839
"69450"	91.038124	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M-3H"	-3.021828
"513383"	137.060824	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M-3H"	-3.021828
"895402"	45.015424	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-3H"	-3.021828
"10852"	137.060824	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M-2H"	-2.014552
"449317"	206.094874	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M-2H"	-2.014552
"828212"	68.026774	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-2H"	-2.014552
"86018"	275.128924	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M-H"	-1.007276
"528858"	413.197024	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M-H"	-1.007276
"903381"	137.060824	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-H"	-1.007276
"55569"	292.155471	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M-2H+NH4"	16.019271
"498409"	430.223571	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M-2H+NH4"	16.019271
"877305"	154.087371	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-2H+NH4"	16.019271
"40833"	297.110866	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M-2H+Na"	20.974666
"482581"	435.178966	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M-2H+Na"	20.974666
"860383"	159.042766	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-2H+Na"	20.974666
"1626638"	159.042766	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Na-2H"	20.974666
"104258"	155.049163	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M-H+Cl"	33.962126
"542726"	224.083213	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M-H+Cl"	33.962126
"934055"	86.015113	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-H+Cl"	33.962126
"274799"	311.105602	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+Cl"	34.969402
"669408"	449.173702	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+Cl"	34.969402
"1277438"	173.037502	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Cl"	34.969402
"21453"	313.084806	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M-2H+K"	36.948606
"457735"	451.152906	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M-2H+K"	36.948606
"834203"	175.016706	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-2H+K"	36.948606
"1563039"	175.016706	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+K-2H"	36.948606
"955299"	183.066294	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-H+HCOOH"	44.998194
"370233"	321.134401	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+HCOOH-H"	44.998201
"357397"	335.150051	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+Hac-H"	59.013851
"1500765"	197.081951	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Hac-H"	59.013851
"966119"	205.048251	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-H+NaCOOH"	66.980151
"125688"	173.037502	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+2Cl"	69.938804
"558962"	242.071552	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+2Cl"	69.938804
"1033230"	104.003452	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2Cl"	69.938804
"1253901"	216.986985	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Br"	78.918885
"1316352"	219.042972	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Cl+HCOOH"	80.974872
"1327289"	241.024929	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Cl+NaCOOH"	102.956829
"918347"	251.053686	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M-H+CF3COOH"	112.985586
"1292868"	287.030364	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Cl+CF3COOH"	148.962264
"1374314"	103.055424	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H-2H2O"	-35.012676
"1389624"	121.0654	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H-H2O"	-17.0027
"298305"	277.143476	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+H"	1.007276
"691172"	415.211576	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+H"	1.007276
"1363185"	139.075376	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H"	1.007276
"140086"	139.075376	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+2H"	2.014552
"580742"	208.109426	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+2H"	2.014552
"1048813"	70.041326	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2H"	2.014552
"217076"	93.052676	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+3H"	3.021828
"658094"	139.075376	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+3H"	3.021828
"1176582"	47.029976	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+3H"	3.021828
"435847"	294.170023	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+NH4"	18.033823
"792466"	432.238123	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+NH4"	18.033823
"1689887"	156.101923	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+NH4"	18.033823
"335982"	147.5886495	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+H+NH4"	19.041099
"730587"	216.6226995	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+H+NH4"	19.041099
"1484410"	78.5545995	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H+NH4"	19.041099
"396532"	299.125418	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+Na"	22.989218
"766277"	437.193518	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+Na"	22.989218
"1616807"	161.057318	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Na"	22.989218
"322230"	150.066347	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+H+Na"	23.996494
"715744"	219.100397	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+H+Na"	23.996494
"1469561"	81.032297	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H+Na"	23.996494
"1064999"	54.35729	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2H+Na"	25.00377
"1264491"	171.101586	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+CH3OH+H"	33.033486
"381978"	315.099358	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+K"	38.963158
"750632"	453.167458	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+K"	38.963158
"1552686"	177.031258	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+K"	38.963158
"308765"	158.053317	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+H+K"	39.970434
"703374"	227.087367	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+H+K"	39.970434
"1456105"	89.019267	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H+K"	39.970434
"241427"	318.170026	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+ACN+H"	42.033826
"1216323"	180.101926	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+ACN+H"	42.033826
"1199106"	90.554601	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+ACN+2H"	43.041102
"196352"	321.10736	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+2Na-H"	44.97116
"635911"	459.17546	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+2Na-H"	44.97116
"1133952"	183.03926	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2Na-H"	44.97116
"175053"	161.057318	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+2Na"	45.978436
"615708"	230.091368	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+2Na"	45.978436
"1120306"	92.023268	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2Na"	45.978436
"1400547"	61.684604	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H+2Na"	46.985712
"1432670"	185.080846	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H+HCOOH"	47.012746
"225646"	166.09034	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+3H2O+2H"	56.04448
"1518087"	199.13289	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+IsoProp+H"	61.06479
"417772"	169.044288	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+Na+K"	61.952376
"778768"	238.078338	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+Na+K"	61.952376
"1677287"	100.010238	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Na+K"	61.952376
"259432"	340.151968	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+ACN+Na"	64.015768
"1235423"	202.083868	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+ACN+Na"	64.015768
"1725402"	202.107393	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+NH4+HCOOH"	64.039293
"1188569"	69.011918	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+3Na"	68.967654
"1659555"	207.062788	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Na+HCOOH"	68.994688
"163137"	353.05524	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+2K-H"	76.91904
"611688"	491.12334	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+2K-H"	76.91904
"1093769"	214.98714	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2K-H"	76.91904
"156790"	177.031258	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"2M+2K"	77.926316
"596343"	246.065308	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"3M+2K"	77.926316
"1072472"	107.997208	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2K"	77.926316
"1104588"	217.001692	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2K+H"	78.933592
"1339879"	217.089307	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+DMSO+H"	79.021207
"1014972"	221.128476	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2ACN+H"	83.060376
"1529818"	222.122108	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+IsoProp+Na+H"	84.054008
"995172"	111.067876	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+2ACN+2H"	84.067652
"1588700"	223.036728	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+K+HCOOH"	84.968628
"1415695"	253.068238	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+H+CF3COOH"	115.000138
"1147811"	131.581151	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+3ACN+2H"	125.094202
"1707208"	270.094785	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+NH4+CF3COOH"	132.026685
"1638485"	275.05018	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+Na+CF3COOH"	136.98208
"1582887"	291.02412	"C03352"	"3-Methoxybenzyl alcohol;3-Anise alcohol;3-Anisyl alcohol"	"C8H10O2"	"138.0681"	"M+K+CF3COOH"	152.95602
"804504"	105.0612	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M"	0
"980224"	86.04281	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-H2O-H"	-19.01839
"72840"	69.033524	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M-3H"	-3.021828
"513493"	104.053924	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M-3H"	-3.021828
"894580"	34.013124	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-3H"	-3.021828
"12056"	104.053924	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M-2H"	-2.014552
"446147"	156.584524	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M-2H"	-2.014552
"830509"	51.523324	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-2H"	-2.014552
"87222"	209.115124	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M-H"	-1.007276
"530062"	314.176324	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M-H"	-1.007276
"904584"	104.053924	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-H"	-1.007276
"56772"	226.141671	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M-2H+NH4"	16.019271
"497426"	331.202871	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M-2H+NH4"	16.019271
"877051"	121.080471	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-2H+NH4"	16.019271
"40942"	231.097066	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M-2H+Na"	20.974666
"482691"	336.158266	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M-2H+Na"	20.974666
"858306"	126.035866	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-2H+Na"	20.974666
"1624561"	126.035866	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Na-2H"	20.974666
"99995"	122.042263	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M-H+Cl"	33.962126
"539556"	174.572863	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M-H+Cl"	33.962126
"931978"	69.511663	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-H+Cl"	33.962126
"271629"	245.091802	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+Cl"	34.969402
"664049"	350.153002	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+Cl"	34.969402
"1276819"	140.030602	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Cl"	34.969402
"17917"	247.071006	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M-2H+K"	36.948606
"456752"	352.132206	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M-2H+K"	36.948606
"833825"	142.009806	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-2H+K"	36.948606
"1563149"	142.009806	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+K-2H"	36.948606
"953949"	150.059394	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-H+HCOOH"	44.998194
"370342"	255.120601	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+HCOOH-H"	44.998201
"355320"	269.136251	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+Hac-H"	59.013851
"1501239"	164.075051	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Hac-H"	59.013851
"968415"	172.041351	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-H+NaCOOH"	66.980151
"121699"	140.030602	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+2Cl"	69.938804
"557978"	192.561202	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+2Cl"	69.938804
"1030060"	87.500002	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2Cl"	69.938804
"1252918"	183.980085	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Br"	78.918885
"1316461"	186.036072	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Cl+HCOOH"	80.974872
"1328492"	208.018029	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Cl+NaCOOH"	102.956829
"918457"	218.046786	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M-H+CF3COOH"	112.985586
"1292978"	254.023464	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Cl+CF3COOH"	148.962264
"1376610"	70.048524	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H-2H2O"	-35.012676
"1390827"	88.0585	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H-H2O"	-17.0027
"298352"	211.129676	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+H"	1.007276
"690959"	316.190876	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+H"	1.007276
"1362931"	106.068476	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H"	1.007276
"141223"	106.068476	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+2H"	2.014552
"580122"	158.599076	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+2H"	2.014552
"1051110"	53.537876	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2H"	2.014552
"217551"	71.048076	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+3H"	3.021828
"658570"	106.068476	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+3H"	3.021828
"1174507"	36.027676	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+3H"	3.021828
"436322"	228.156223	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+NH4"	18.033823
"793669"	333.217423	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+NH4"	18.033823
"1689997"	123.095023	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+NH4"	18.033823
"338278"	114.5817495	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+H+NH4"	19.041099
"730697"	167.1123495	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+H+NH4"	19.041099
"1484520"	62.0511495	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H+NH4"	19.041099
"399922"	233.111618	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+Na"	22.989218
"767116"	338.172818	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+Na"	22.989218
"1615945"	128.050418	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Na"	22.989218
"323433"	117.059447	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+H+Na"	23.996494
"715854"	169.590047	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+H+Na"	23.996494
"1469671"	64.528847	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H+Na"	23.996494
"1067295"	43.35499	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2H+Na"	25.00377
"1265695"	138.094686	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+CH3OH+H"	33.033486
"380994"	249.085558	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+K"	38.963158
"749649"	354.146758	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+K"	38.963158
"1552794"	144.024358	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+K"	38.963158
"308875"	125.046417	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+H+K"	39.970434
"701297"	177.577017	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+H+K"	39.970434
"1458401"	72.515817	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H+K"	39.970434
"241537"	252.156226	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+ACN+H"	42.033826
"1218618"	147.095026	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+ACN+H"	42.033826
"1200311"	74.051151	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+ACN+2H"	43.041102
"196463"	255.09356	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+2Na-H"	44.97116
"633106"	360.15476	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+2Na-H"	44.97116
"1134062"	150.03236	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2Na-H"	44.97116
"176257"	128.050418	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+2Na"	45.978436
"616911"	180.581018	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+2Na"	45.978436
"1119323"	75.519818	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2Na"	45.978436
"1399685"	50.682304	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H+2Na"	46.985712
"1433873"	152.073946	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H+HCOOH"	47.012746
"222838"	133.08344	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+3H2O+2H"	56.04448
"1517103"	166.12599	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+IsoProp+H"	61.06479
"418974"	136.037388	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+Na+K"	61.952376
"779971"	188.567988	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+Na+K"	61.952376
"1678125"	83.506788	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Na+K"	61.952376
"261728"	274.138168	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+ACN+Na"	64.015768
"1238449"	169.076968	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+ACN+Na"	64.015768
"1728149"	169.100493	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+NH4+HCOOH"	64.039293
"1193052"	58.009618	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+3Na"	68.967654
"1660759"	174.055888	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Na+HCOOH"	68.994688
"170900"	287.04144	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+2K-H"	76.91904
"611801"	392.10264	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+2K-H"	76.91904
"1096065"	181.98024	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2K-H"	76.91904
"156532"	144.024358	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"2M+2K"	77.926316
"596453"	196.554958	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"3M+2K"	77.926316
"1082422"	91.493758	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2K"	77.926316
"1104698"	183.994792	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2K+H"	78.933592
"1339260"	184.082407	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+DMSO+H"	79.021207
"1015082"	188.121576	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2ACN+H"	83.060376
"1529928"	189.115208	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+IsoProp+Na+H"	84.054008
"996375"	94.564426	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+2ACN+2H"	84.067652
"1588446"	190.029828	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+K+HCOOH"	84.968628
"1415441"	220.061338	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+H+CF3COOH"	115.000138
"1148285"	115.077701	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+3ACN+2H"	125.094202
"1704038"	237.087885	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+NH4+CF3COOH"	132.026685
"1635315"	242.04328	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+Na+CF3COOH"	136.98208
"1582997"	258.01722	"C03354"	"3-Methylthiopropanamine;3-Methylthiopropylamine"	"C4H11NS"	"105.0612"	"M+K+CF3COOH"	152.95602
"803521"	216.0035	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M"	0
"974866"	196.98511	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-H2O-H"	-19.01839
"72949"	142.995057333333	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M-3H"	-3.021828
"510322"	214.996224	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M-3H"	-3.021828
"892134"	70.9938906666667	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-3H"	-3.021828
"13139"	214.996224	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M-2H"	-2.014552
"449537"	322.997974	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M-2H"	-2.014552
"829526"	106.994474	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-2H"	-2.014552
"89519"	430.999724	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M-H"	-1.007276
"532361"	647.003224	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M-H"	-1.007276
"907974"	214.996224	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-H"	-1.007276
"59069"	448.026271	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M-2H+NH4"	16.019271
"497536"	664.029771	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M-2H+NH4"	16.019271
"877041"	232.022771	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-2H+NH4"	16.019271
"41052"	452.981666	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M-2H+Na"	20.974666
"482802"	668.985166	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M-2H+Na"	20.974666
"854043"	236.978166	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-2H+Na"	20.974666
"1624669"	236.978166	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Na-2H"	20.974666
"97919"	232.984563	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M-H+Cl"	33.962126
"541853"	340.986313	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M-H+Cl"	33.962126
"933181"	124.982813	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-H+Cl"	33.962126
"270646"	466.976402	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+Cl"	34.969402
"661972"	682.979902	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+Cl"	34.969402
"1275470"	250.972902	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Cl"	34.969402
"17300"	468.955606	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M-2H+K"	36.948606
"458687"	684.959106	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M-2H+K"	36.948606
"836489"	252.952106	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-2H+K"	36.948606
"1555769"	252.952106	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+K-2H"	36.948606
"951142"	261.001694	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-H+HCOOH"	44.998194
"369358"	477.005201	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+HCOOH-H"	44.998201
"352149"	491.020851	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+Hac-H"	59.013851
"1496243"	275.017351	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Hac-H"	59.013851
"967431"	282.983651	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-H+NaCOOH"	66.980151
"111962"	250.972902	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+2Cl"	69.938804
"559183"	358.974652	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+2Cl"	69.938804
"1026889"	142.971152	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2Cl"	69.938804
"1253028"	294.922385	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Br"	78.918885
"1315479"	296.978372	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Cl+HCOOH"	80.974872
"1327509"	318.960329	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Cl+NaCOOH"	102.956829
"912734"	328.989086	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M-H+CF3COOH"	112.985586
"1297462"	364.965764	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Cl+CF3COOH"	148.962264
"1373438"	180.990824	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H-2H2O"	-35.012676
"1394947"	199.0008	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H-H2O"	-17.0027
"298280"	433.014276	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+H"	1.007276
"691288"	649.017776	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+H"	1.007276
"1363041"	217.010776	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H"	1.007276
"138847"	217.010776	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+2H"	2.014552
"579868"	325.012526	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+2H"	2.014552
"1050491"	109.009026	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2H"	2.014552
"219364"	145.009609333333	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+3H"	3.021828
"658680"	217.010776	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+3H"	3.021828
"1175348"	73.0084426666667	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+3H"	3.021828
"435703"	450.040823	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+NH4"	18.033823
"793779"	666.044323	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+NH4"	18.033823
"1691201"	234.037323	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+NH4"	18.033823
"337295"	225.5240495	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+H+NH4"	19.041099
"730807"	333.5257995	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+H+NH4"	19.041099
"1484630"	117.5222995	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H+NH4"	19.041099
"397845"	454.996218	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+Na"	22.989218
"766497"	670.999718	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+Na"	22.989218
"1616056"	238.992718	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Na"	22.989218
"326824"	228.001747	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+H+Na"	23.996494
"714871"	336.003497	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+H+Na"	23.996494
"1473066"	119.999997	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H+Na"	23.996494
"1065219"	80.3357566666667	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2H+Na"	25.00377
"1263618"	249.036986	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+CH3OH+H"	33.033486
"384380"	470.970158	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+K"	38.963158
"745376"	686.973658	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+K"	38.963158
"1546340"	254.966658	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+K"	38.963158
"304610"	235.988717	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+H+K"	39.970434
"700314"	343.990467	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+H+K"	39.970434
"1458511"	127.986967	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H+K"	39.970434
"241647"	474.040826	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+ACN+H"	42.033826
"1220914"	258.037326	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+ACN+H"	42.033826
"1200422"	129.522301	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+ACN+2H"	43.041102
"194387"	476.97816	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+2Na-H"	44.97116
"631760"	692.98166	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+2Na-H"	44.97116
"1132228"	260.97466	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2Na-H"	44.97116
"174424"	238.992718	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+2Na"	45.978436
"613863"	346.994468	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+2Na"	45.978436
"1118339"	130.990968	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2Na"	45.978436
"1398702"	87.6630706666667	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H+2Na"	46.985712
"1433983"	263.016246	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H+HCOOH"	47.012746
"222584"	244.02574	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+3H2O+2H"	56.04448
"1516117"	277.06829	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+IsoProp+H"	61.06479
"417990"	246.979688	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+Na+K"	61.952376
"778988"	354.981438	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+Na+K"	61.952376
"1675319"	138.977938	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Na+K"	61.952376
"260743"	496.022768	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+ACN+Na"	64.015768
"1233456"	280.019268	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+ACN+Na"	64.015768
"1724527"	280.042793	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+NH4+HCOOH"	64.039293
"1187694"	94.9903846666667	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+3Na"	68.967654
"1663054"	284.998188	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Na+HCOOH"	68.994688
"166635"	508.92604	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+2K-H"	76.91904
"607289"	724.92954	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+2K-H"	76.91904
"1092895"	292.92254	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2K-H"	76.91904
"150804"	254.966658	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"2M+2K"	77.926316
"594496"	362.968408	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"3M+2K"	77.926316
"1073055"	146.964908	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2K"	77.926316
"1102985"	294.937092	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2K+H"	78.933592
"1338276"	295.024707	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+DMSO+H"	79.021207
"1015192"	299.063876	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2ACN+H"	83.060376
"1530038"	300.057508	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+IsoProp+Na+H"	84.054008
"995392"	150.035576	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+2ACN+2H"	84.067652
"1588192"	300.972128	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+K+HCOOH"	84.968628
"1415309"	331.003638	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+H+CF3COOH"	115.000138
"1148031"	170.548851	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+3ACN+2H"	125.094202
"1704148"	348.030185	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+NH4+CF3COOH"	132.026685
"1635425"	352.98558	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+Na+CF3COOH"	136.98208
"1583107"	368.95952	"C03356"	"3-Phospho-D-erythronate"	"C4H9O8P"	"216.0035"	"M+K+CF3COOH"	152.95602
"803631"	894.1785	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M"	0
"978256"	875.16011	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-H2O-H"	-19.01839
"74152"	595.111724	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M-3H"	-3.021828
"513713"	893.171224	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M-3H"	-3.021828
"894679"	297.052224	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-3H"	-3.021828
"14714"	893.171224	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M-2H"	-2.014552
"449647"	1340.260474	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M-2H"	-2.014552
"829636"	446.081974	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-2H"	-2.014552
"91330"	1787.349724	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M-H"	-1.007276
"531985"	2681.528224	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M-H"	-1.007276
"906991"	893.171224	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-H"	-1.007276
"59908"	1804.376271	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M-2H+NH4"	16.019271
"500320"	2698.554771	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M-2H+NH4"	16.019271
"876420"	910.197771	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-2H+NH4"	16.019271
"41163"	1809.331666	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M-2H+Na"	20.974666
"483642"	2703.510166	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M-2H+Na"	20.974666
"859621"	915.153166	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-2H+Na"	20.974666
"1628060"	915.153166	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Na-2H"	20.974666
"101309"	911.159563	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M-H+Cl"	33.962126
"536497"	1358.248813	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M-H+Cl"	33.962126
"930013"	464.070313	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-H+Cl"	33.962126
"271850"	1823.326402	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+Cl"	34.969402
"661354"	2717.504902	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+Cl"	34.969402
"1275581"	929.147902	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Cl"	34.969402
"17289"	1825.305606	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M-2H+K"	36.948606
"458797"	2719.484106	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M-2H+K"	36.948606
"836599"	931.127106	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-2H+K"	36.948606
"1555787"	931.127106	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+K-2H"	36.948606
"950159"	939.176694	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-H+HCOOH"	44.998194
"366188"	1833.355201	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+HCOOH-H"	44.998201
"355539"	1847.370851	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+Hac-H"	59.013851
"1497812"	953.192351	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Hac-H"	59.013851
"967177"	961.158651	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-H+NaCOOH"	66.980151
"112801"	929.147902	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+2Cl"	69.938804
"556013"	1376.237152	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+2Cl"	69.938804
"1025176"	482.058652	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2Cl"	69.938804
"1253138"	973.097385	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Br"	78.918885
"1314494"	975.153372	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Cl+HCOOH"	80.974872
"1328348"	997.135329	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Cl+NaCOOH"	102.956829
"922322"	1007.164086	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M-H+CF3COOH"	112.985586
"1299396"	1043.140764	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Cl+CF3COOH"	148.962264
"1370631"	859.165824	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H-2H2O"	-35.012676
"1391046"	877.1758	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H-H2O"	-17.0027
"296932"	1789.364276	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+H"	1.007276
"690857"	2683.542776	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+H"	1.007276
"1363879"	895.185776	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H"	1.007276
"140294"	895.185776	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+2H"	2.014552
"580342"	1342.275026	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+2H"	2.014552
"1052302"	448.096526	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2H"	2.014552
"219908"	597.126276	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+3H"	3.021828
"658792"	895.185776	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+3H"	3.021828
"1175456"	299.066776	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+3H"	3.021828
"438002"	1806.390823	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+NH4"	18.033823
"796077"	2700.569323	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+NH4"	18.033823
"1692405"	912.212323	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+NH4"	18.033823
"339593"	903.6990495	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+H+NH4"	19.041099
"733105"	1350.7882995	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+H+NH4"	19.041099
"1483648"	456.6097995	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H+NH4"	19.041099
"400142"	1811.346218	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+Na"	22.989218
"765880"	2705.524718	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+Na"	22.989218
"1617139"	917.167718	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Na"	22.989218
"325841"	906.176747	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+H+Na"	23.996494
"716074"	1353.265997	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+H+Na"	23.996494
"1473176"	459.087497	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H+Na"	23.996494
"1066302"	306.39409	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2H+Na"	25.00377
"1265915"	927.211986	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+CH3OH+H"	33.033486
"384490"	1827.320158	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+K"	38.963158
"746580"	2721.498658	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+K"	38.963158
"1545358"	933.141658	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+K"	38.963158
"302532"	914.163717	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+H+K"	39.970434
"700424"	1361.252967	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+H+K"	39.970434
"1456435"	467.074467	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H+K"	39.970434
"242850"	1830.390826	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+ACN+H"	42.033826
"1217744"	936.212326	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+ACN+H"	42.033826
"1196159"	468.609801	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+ACN+2H"	43.041102
"193403"	1833.32816	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+2Na-H"	44.97116
"631870"	2727.50666	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+2Na-H"	44.97116
"1132096"	939.14966	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2Na-H"	44.97116
"174292"	917.167718	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+2Na"	45.978436
"617130"	1364.256968	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+2Na"	45.978436
"1118449"	470.078468	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2Na"	45.978436
"1399540"	313.721404	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H+2Na"	46.985712
"1434093"	941.191246	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H+HCOOH"	47.012746
"223057"	922.20074	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+3H2O+2H"	56.04448
"1516227"	955.24329	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+IsoProp+H"	61.06479
"417006"	925.154688	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+Na+K"	61.952376
"781283"	1372.243938	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+Na+K"	61.952376
"1677615"	478.065438	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Na+K"	61.952376
"261947"	1852.372768	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+ACN+Na"	64.015768
"1236846"	958.194268	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+ACN+Na"	64.015768
"1724637"	958.217793	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+NH4+HCOOH"	64.039293
"1194152"	321.048718	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+3Na"	68.967654
"1664013"	963.173188	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Na+HCOOH"	68.994688
"168932"	1865.27604	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+2K-H"	76.91904
"607398"	2759.45454	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+2K-H"	76.91904
"1093005"	971.09754	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2K-H"	76.91904
"154194"	933.141658	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"2M+2K"	77.926316
"588287"	1380.230908	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"3M+2K"	77.926316
"1072801"	486.052408	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2K"	77.926316
"1102731"	973.112092	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2K+H"	78.933592
"1341304"	973.199707	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+DMSO+H"	79.021207
"1015302"	977.238876	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2ACN+H"	83.060376
"1530148"	978.232508	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+IsoProp+Na+H"	84.054008
"995503"	489.123076	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+2ACN+2H"	84.067652
"1590368"	979.147128	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+K+HCOOH"	84.968628
"1417121"	1009.178638	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+H+CF3COOH"	115.000138
"1150330"	509.636351	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+3ACN+2H"	125.094202
"1700978"	1026.205185	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+NH4+CF3COOH"	132.026685
"1634170"	1031.16058	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+Na+CF3COOH"	136.98208
"1583217"	1047.13452	"C03357"	"4-Acetamidobutanoyl-CoA"	"C27H45N8O18P3S"	"894.1785"	"M+K+CF3COOH"	152.95602
"813582"	142.0185	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M"	0
"987845"	123.00011	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-H2O-H"	-19.01839
"74265"	93.671724	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M-3H"	-3.021828
"516011"	141.011224	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M-3H"	-3.021828
"893451"	46.332224	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-3H"	-3.021828
"14942"	141.011224	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M-2H"	-2.014552
"453042"	212.020474	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M-2H"	-2.014552
"831939"	70.001974	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-2H"	-2.014552
"93478"	283.029724	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M-H"	-1.007276
"533554"	425.048224	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M-H"	-1.007276
"910507"	141.011224	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-H"	-1.007276
"60381"	300.056271	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M-2H+NH4"	16.019271
"502257"	442.074771	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M-2H+NH4"	16.019271
"878232"	158.037771	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-2H+NH4"	16.019271
"45646"	305.011666	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M-2H+Na"	20.974666
"485209"	447.030166	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M-2H+Na"	20.974666
"863012"	162.993166	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-2H+Na"	20.974666
"1629264"	162.993166	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Na-2H"	20.974666
"101419"	158.999563	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M-H+Cl"	33.962126
"543168"	230.008813	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M-H+Cl"	33.962126
"934497"	87.990313	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-H+Cl"	33.962126
"275240"	319.006402	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+Cl"	34.969402
"673130"	461.024902	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+Cl"	34.969402
"1281159"	176.987902	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Cl"	34.969402
"20438"	320.985606	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M-2H+K"	36.948606
"465468"	463.004106	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M-2H+K"	36.948606
"839989"	178.967106	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-2H+K"	36.948606
"1567853"	178.967106	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+K-2H"	36.948606
"956466"	187.016694	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-H+HCOOH"	44.998194
"370672"	329.035201	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+HCOOH-H"	44.998201
"353462"	343.050851	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+Hac-H"	59.013851
"1501203"	201.032351	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Hac-H"	59.013851
"966558"	208.998651	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-H+NaCOOH"	66.980151
"115464"	176.987902	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+2Cl"	69.938804
"560497"	247.997152	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+2Cl"	69.938804
"1031485"	105.978652	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2Cl"	69.938804
"1252157"	220.937385	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Br"	78.918885
"1313514"	222.993372	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Cl+HCOOH"	80.974872
"1330645"	244.975329	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Cl+NaCOOH"	102.956829
"917695"	255.004086	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M-H+CF3COOH"	112.985586
"1297683"	290.980764	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Cl+CF3COOH"	148.962264
"1370377"	107.005824	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H-2H2O"	-35.012676
"1392251"	125.0158	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H-H2O"	-17.0027
"297897"	285.044276	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+H"	1.007276
"690437"	427.062776	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+H"	1.007276
"1361802"	143.025776	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H"	1.007276
"135783"	143.025776	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+2H"	2.014552
"578263"	214.035026	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+2H"	2.014552
"1052174"	72.016526	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2H"	2.014552
"219505"	95.686276	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+3H"	3.021828
"658901"	143.025776	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+3H"	3.021828
"1177027"	48.346776	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+3H"	3.021828
"437747"	302.070823	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+NH4"	18.033823
"800559"	444.089323	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+NH4"	18.033823
"1694701"	160.052323	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+NH4"	18.033823
"341887"	151.5390495	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+H+NH4"	19.041099
"733214"	222.5482995	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+H+NH4"	19.041099
"1483754"	80.5297995	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H+NH4"	19.041099
"400248"	307.026218	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+Na"	22.989218
"765622"	449.044718	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+Na"	22.989218
"1611534"	165.007718	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Na"	22.989218
"327044"	154.016747	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+H+Na"	23.996494
"718005"	225.025997	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+H+Na"	23.996494
"1476078"	83.007497	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H+Na"	23.996494
"1065442"	55.67409	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2H+Na"	25.00377
"1267121"	175.051986	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+CH3OH+H"	33.033486
"385694"	323.000158	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+K"	38.963158
"745597"	465.018658	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+K"	38.963158
"1543282"	180.981658	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+K"	38.963158
"302642"	162.003717	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+H+K"	39.970434
"700534"	233.012967	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+H+K"	39.970434
"1453264"	90.994467	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H+K"	39.970434
"239678"	326.070826	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+ACN+H"	42.033826
"1213480"	184.052326	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+ACN+H"	42.033826
"1195539"	92.529801	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+ACN+2H"	43.041102
"193513"	329.00816	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+2Na-H"	44.97116
"634163"	471.02666	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+2Na-H"	44.97116
"1135485"	186.98966	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2Na-H"	44.97116
"180960"	165.007718	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+2Na"	45.978436
"616145"	236.016968	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+2Na"	45.978436
"1120745"	93.998468	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2Na"	45.978436
"1403174"	63.001404	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H+2Na"	46.985712
"1433110"	189.031246	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H+HCOOH"	47.012746
"224991"	170.04074	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+3H2O+2H"	56.04448
"1515243"	203.08329	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+IsoProp+H"	61.06479
"414929"	172.994688	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+Na+K"	61.952376
"778111"	244.003938	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+Na+K"	61.952376
"1676268"	101.985438	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Na+K"	61.952376
"261693"	348.052768	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+ACN+Na"	64.015768
"1233675"	206.034268	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+ACN+Na"	64.015768
"1728153"	206.057793	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+NH4+HCOOH"	64.039293
"1193140"	70.328718	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+3Na"	68.967654
"1663273"	211.013188	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Na+HCOOH"	68.994688
"172207"	360.95604	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+2K-H"	76.91904
"612130"	502.97454	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+2K-H"	76.91904
"1096396"	218.93754	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2K-H"	76.91904
"151024"	180.981658	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"2M+2K"	77.926316
"590585"	251.990908	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"3M+2K"	77.926316
"1071089"	109.972408	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2K"	77.926316
"1108310"	220.952092	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2K+H"	78.933592
"1344694"	221.039707	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+DMSO+H"	79.021207
"1018692"	225.078876	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2ACN+H"	83.060376
"1534630"	226.072508	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+IsoProp+Na+H"	84.054008
"993060"	113.043076	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+2ACN+2H"	84.067652
"1592301"	226.987128	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+K+HCOOH"	84.968628
"1418324"	257.018638	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+H+CF3COOH"	115.000138
"1150440"	133.556351	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+3ACN+2H"	125.094202
"1704368"	274.045185	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+NH4+CF3COOH"	132.026685
"1635645"	279.00058	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+Na+CF3COOH"	136.98208
"1583327"	294.97452	"C03359"	"4-Chloro-2-methylphenol"	"C7H7ClO"	"142.0185"	"M+K+CF3COOH"	152.95602
"807131"	218.9933	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M"	0
"979571"	199.97491	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-H2O-H"	-19.01839
"69999"	144.988257333333	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M-3H"	-3.021828
"510652"	217.986024	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M-3H"	-3.021828
"894291"	71.9904906666667	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-3H"	-3.021828
"15050"	217.986024	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M-2H"	-2.014552
"453152"	327.482674	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M-2H"	-2.014552
"832414"	108.489374	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-2H"	-2.014552
"93946"	436.979324	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M-H"	-1.007276
"533908"	655.972624	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M-H"	-1.007276
"910373"	217.986024	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-H"	-1.007276
"60491"	454.005871	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M-2H+NH4"	16.019271
"500783"	672.999171	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M-2H+NH4"	16.019271
"878220"	235.012571	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-2H+NH4"	16.019271
"42476"	458.961266	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M-2H+Na"	20.974666
"485319"	677.954566	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M-2H+Na"	20.974666
"861664"	239.967966	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-2H+Na"	20.974666
"1628281"	239.967966	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Na-2H"	20.974666
"102621"	235.974363	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M-H+Cl"	33.962126
"537810"	345.471013	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M-H+Cl"	33.962126
"932421"	126.477713	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-H+Cl"	33.962126
"272070"	472.956002	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+Cl"	34.969402
"665587"	691.949302	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+Cl"	34.969402
"1280177"	253.962702	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Cl"	34.969402
"24921"	474.935206	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M-2H+K"	36.948606
"462296"	693.928506	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M-2H+K"	36.948606
"837912"	255.941906	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-2H+K"	36.948606
"1563588"	255.941906	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+K-2H"	36.948606
"953660"	263.991494	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-H+HCOOH"	44.998194
"372968"	482.984801	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+HCOOH-H"	44.998201
"353572"	497.000451	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+Hac-H"	59.013851
"1495845"	278.007151	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Hac-H"	59.013851
"962290"	285.973451	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-H+NaCOOH"	66.980151
"113387"	253.962702	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+2Cl"	69.938804
"560607"	363.459352	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+2Cl"	69.938804
"1032323"	144.466052	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2Cl"	69.938804
"1251172"	297.912185	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Br"	78.918885
"1314717"	299.968172	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Cl+HCOOH"	80.974872
"1329299"	321.950129	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Cl+NaCOOH"	102.956829
"919989"	331.978886	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M-H+CF3COOH"	112.985586
"1298156"	367.955564	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Cl+CF3COOH"	148.962264
"1372673"	183.980624	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H-2H2O"	-35.012676
"1385796"	201.9906	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H-H2O"	-17.0027
"288764"	438.993876	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+H"	1.007276
"690305"	657.987176	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+H"	1.007276
"1361912"	220.000576	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H"	1.007276
"135894"	220.000576	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+2H"	2.014552
"573996"	329.497226	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+2H"	2.014552
"1050819"	110.503926	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2H"	2.014552
"218598"	147.002809333333	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+3H"	3.021828
"658642"	220.000576	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+3H"	3.021828
"1174214"	74.0050426666667	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+3H"	3.021828
"437127"	456.020423	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+NH4"	18.033823
"796295"	675.013723	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+NH4"	18.033823
"1692625"	237.027123	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+NH4"	18.033823
"340904"	228.5138495	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+H+NH4"	19.041099
"731138"	338.0104995	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+H+NH4"	19.041099
"1483864"	119.0171995	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H+NH4"	19.041099
"399265"	460.975818	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+Na"	22.989218
"765733"	679.969118	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+Na"	22.989218
"1613831"	241.982518	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Na"	22.989218
"327154"	230.991547	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+H+Na"	23.996494
"721396"	340.488197	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+H+Na"	23.996494
"1476309"	121.494897	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H+Na"	23.996494
"1058986"	81.3323566666667	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2H+Na"	25.00377
"1269417"	252.026786	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+CH3OH+H"	33.033486
"384713"	476.949758	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+K"	38.963158
"743521"	695.943058	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+K"	38.963158
"1544484"	257.956458	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+K"	38.963158
"303846"	238.978517	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+H+K"	39.970434
"697361"	348.475167	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+H+K"	39.970434
"1447177"	129.481867	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H+K"	39.970434
"238695"	480.020426	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+ACN+H"	42.033826
"1211646"	261.027126	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+ACN+H"	42.033826
"1194677"	131.017201	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+ACN+2H"	43.041102
"190342"	482.95776	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+2Na-H"	44.97116
"630022"	701.95106	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+2Na-H"	44.97116
"1133408"	263.96446	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2Na-H"	44.97116
"176696"	241.982518	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+2Na"	45.978436
"615161"	351.479168	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+2Na"	45.978436
"1119761"	132.485868	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2Na"	45.978436
"1407659"	88.6596706666667	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H+2Na"	46.985712
"1432127"	266.006046	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H+HCOOH"	47.012746
"224009"	247.01554	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+3H2O+2H"	56.04448
"1517540"	280.05809	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+IsoProp+H"	61.06479
"416133"	249.969488	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+Na+K"	61.952376
"778952"	359.466138	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+Na+K"	61.952376
"1675649"	140.472838	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Na+K"	61.952376
"261075"	502.002368	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+ACN+Na"	64.015768
"1234150"	283.009068	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+ACN+Na"	64.015768
"1728319"	283.032593	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+NH4+HCOOH"	64.039293
"1193372"	95.9869846666667	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+3Na"	68.967654
"1663019"	287.987988	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Na+HCOOH"	68.994688
"171707"	514.90564	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+2K-H"	76.91904
"612239"	733.89894	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+2K-H"	76.91904
"1096506"	295.91234	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2K-H"	76.91904
"151134"	257.956458	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"2M+2K"	77.926316
"590695"	367.453108	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"3M+2K"	77.926316
"1071563"	148.459808	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2K"	77.926316
"1108420"	297.926892	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2K+H"	78.933592
"1344804"	298.014507	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+DMSO+H"	79.021207
"1018802"	302.053676	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2ACN+H"	83.060376
"1534740"	303.047308	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+IsoProp+Na+H"	84.054008
"992441"	151.530476	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+2ACN+2H"	84.067652
"1592411"	303.961928	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+K+HCOOH"	84.968628
"1418071"	333.993438	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+H+CF3COOH"	115.000138
"1150550"	172.043751	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+3ACN+2H"	125.094202
"1701198"	351.019985	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+NH4+CF3COOH"	132.026685
"1635755"	355.97538	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+Na+CF3COOH"	136.98208
"1583437"	371.94932	"C03360"	"4-Nitrophenyl phosphate"	"C6H6NO6P"	"218.9933"	"M+K+CF3COOH"	152.95602
"803963"	194.079	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M"	0
"984056"	175.06061	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"71203"	128.378724	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"516230"	193.071724	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"891846"	63.685724	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"13337"	193.071724	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"453626"	290.111224	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"827783"	96.032224	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"88868"	387.150724	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"529521"	581.229724	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"908053"	193.071724	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"59148"	404.177271	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"498709"	598.256271	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"879065"	210.098271	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"41497"	409.132666	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"477777"	603.211666	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"853756"	215.053666	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1624017"	215.053666	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"98361"	211.060063	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"537918"	308.099563	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"927911"	114.020563	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"269264"	423.127402	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"664607"	617.206402	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1281386"	229.048402	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"28315"	425.106606	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"462408"	619.185606	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"838022"	231.027606	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1565887"	231.027606	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"950489"	239.077194	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"370525"	433.156201	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"352587"	447.171851	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1498144"	253.092851	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"963499"	261.059151	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"122615"	229.048402	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"559622"	326.087902	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1033528"	132.008902	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1253835"	272.997885	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1315918"	275.053872	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1324666"	297.035829	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"916818"	307.064586	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1297536"	343.041264	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1372782"	159.066324	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1385174"	177.0763	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"285593"	389.165276	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"681296"	583.244276	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1357646"	195.086276	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"137463"	195.086276	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"571193"	292.125776	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1039992"	98.046776	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"214451"	130.393276	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"655105"	195.086276	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1166671"	65.700276	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"424290"	406.191823	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"789845"	600.270823	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1685085"	212.112823	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"334456"	203.5995495	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"730155"	300.6390495	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1489454"	106.5600495	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"400478"	411.147218	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"763660"	605.226218	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1609570"	217.068218	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"321065"	206.077247	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"710574"	303.116747	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1471323"	109.037747	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1058006"	73.02759	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1261871"	227.112486	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"380446"	427.121158	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"741452"	621.200158	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1544596"	233.042158	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"305057"	214.064217	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"697477"	311.103717	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1451297"	117.024717	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"238806"	430.191826	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1210904"	236.112826	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1195392"	118.560051	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"194822"	433.12916	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"630741"	627.20816	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1134608"	239.05016	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"176805"	217.068218	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"615274"	314.107718	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1128268"	120.028718	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1409967"	80.354904	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1440988"	241.091746	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"228495"	222.10124	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1515463"	255.14379	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"415149"	225.055188	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"782343"	322.094688	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1670293"	128.015688	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"261187"	452.173768	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1232438"	258.094768	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1727155"	258.118293	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1191415"	87.682218	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1662766"	263.073688	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"172305"	465.07704	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"612268"	659.15604	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1095521"	270.99804	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"151250"	233.042158	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"588626"	330.081658	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1073138"	136.002658	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1110721"	273.012592	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1341639"	273.100207	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1011262"	277.139376	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1528294"	278.133008	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"995838"	139.073326	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1590341"	279.047628	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1422564"	309.079138	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1158320"	159.586601	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1710061"	326.105685	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1645712"	331.06108	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1583549"	347.03502	"C03365"	"5-O-Methyl-myo-inositol;1D-5-O-Methyl-myo-inositol;Sequoyitol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"807353"	242.0668	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M"	0
"986353"	223.04841	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H2O-H"	-19.01839
"75688"	160.370590666667	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-3H"	-3.021828
"514886"	241.059524	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-3H"	-3.021828
"892322"	79.6816573333333	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-3H"	-3.021828
"13083"	241.059524	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H"	-2.014552
"451184"	362.092924	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H"	-2.014552
"830445"	120.026124	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H"	-2.014552
"88978"	483.126324	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-H"	-1.007276
"531090"	725.193124	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-H"	-1.007276
"906342"	241.059524	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H"	-1.007276
"58528"	500.152871	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H+NH4"	16.019271
"498089"	742.219671	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H+NH4"	16.019271
"876988"	258.086071	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H+NH4"	16.019271
"38327"	505.108266	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H+Na"	20.974666
"476794"	747.175066	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H+Na"	20.974666
"850952"	263.041466	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H+Na"	20.974666
"1623034"	263.041466	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na-2H"	20.974666
"97376"	259.047863	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-H+Cl"	33.962126
"538029"	380.081263	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-H+Cl"	33.962126
"927494"	138.014463	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+Cl"	33.962126
"268155"	519.103002	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Cl"	34.969402
"667998"	761.169802	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+Cl"	34.969402
"1278216"	277.036202	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl"	34.969402
"27332"	521.082206	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H+K"	36.948606
"461425"	763.149006	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H+K"	36.948606
"837038"	279.015406	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H+K"	36.948606
"1568184"	279.015406	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K-2H"	36.948606
"950599"	287.064994	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+HCOOH"	44.998194
"369906"	529.131801	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+HCOOH-H"	44.998201
"353791"	543.147451	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Hac-H"	59.013851
"1500442"	301.080651	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Hac-H"	59.013851
"963973"	309.046951	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+NaCOOH"	66.980151
"123453"	277.036202	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2Cl"	69.938804
"561920"	398.069602	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2Cl"	69.938804
"1033640"	156.002802	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2Cl"	69.938804
"1253947"	320.985685	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Br"	78.918885
"1317124"	323.041672	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl+HCOOH"	80.974872
"1326963"	345.023629	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl+NaCOOH"	102.956829
"919114"	355.052386	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+CF3COOH"	112.985586
"1298010"	391.029064	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl+CF3COOH"	148.962264
"1379452"	207.054124	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H-2H2O"	-35.012676
"1385649"	225.0641	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H-H2O"	-17.0027
"287890"	485.140876	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H"	1.007276
"680313"	727.207676	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H"	1.007276
"1358850"	243.074076	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H"	1.007276
"137574"	243.074076	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2H"	2.014552
"574949"	364.107476	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2H"	2.014552
"1041196"	122.040676	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2H"	2.014552
"216750"	162.385142666667	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+3H"	3.021828
"657770"	243.074076	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+3H"	3.021828
"1167876"	81.6962093333333	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+3H"	3.021828
"427869"	502.167423	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+NH4"	18.033823
"791048"	744.234223	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+NH4"	18.033823
"1684102"	260.100623	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+NH4"	18.033823
"335659"	251.5873495	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H+NH4"	19.041099
"728079"	372.6207495	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H+NH4"	19.041099
"1487377"	130.5539495	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+NH4"	19.041099
"402775"	507.122818	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Na"	22.989218
"762678"	749.189618	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+Na"	22.989218
"1611869"	265.056018	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na"	22.989218
"321905"	254.065047	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H+Na"	23.996494
"717612"	375.098447	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H+Na"	23.996494
"1474715"	133.031647	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+Na"	23.996494
"1058480"	89.0235233333333	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2H+Na"	25.00377
"1266354"	275.100286	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+CH3OH+H"	33.033486
"382743"	523.096758	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+K"	38.963158
"743747"	765.163558	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+K"	38.963158
"1545800"	281.029958	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K"	38.963158
"308447"	262.052017	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H+K"	39.970434
"700869"	383.085417	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H+K"	39.970434
"1451408"	141.018617	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+K"	39.970434
"241104"	526.167426	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+ACN+H"	42.033826
"1217092"	284.100626	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+ACN+H"	42.033826
"1196600"	142.553951	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+ACN+2H"	43.041102
"191653"	529.10476	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2Na-H"	44.97116
"629272"	771.17156	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2Na-H"	44.97116
"1133020"	287.03796	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2Na-H"	44.97116
"178008"	265.056018	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2Na"	45.978436
"613442"	386.089418	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2Na"	45.978436
"1128378"	144.022618	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2Na"	45.978436
"1409713"	96.3508373333333	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+2Na"	46.985712
"1440005"	289.079546	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+HCOOH"	47.012746
"231887"	270.08904	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+3H2O+2H"	56.04448
"1521043"	303.13159	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+H"	61.06479
"419635"	273.042988	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Na+K"	61.952376
"778444"	394.076388	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+Na+K"	61.952376
"1672590"	152.009588	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na+K"	61.952376
"260933"	548.149368	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+ACN+Na"	64.015768
"1237287"	306.082568	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+ACN+Na"	64.015768
"1725078"	306.106093	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+NH4+HCOOH"	64.039293
"1190432"	103.678151333333	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+3Na"	68.967654
"1662876"	311.061488	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na+HCOOH"	68.994688
"172292"	561.05264	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2K-H"	76.91904
"612757"	803.11944	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2K-H"	76.91904
"1095631"	318.98584	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2K-H"	76.91904
"148080"	281.029958	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2K"	77.926316
"594203"	402.063358	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2K"	77.926316
"1080902"	159.996558	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2K"	77.926316
"1109737"	321.000392	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2K+H"	78.933592
"1342843"	321.088007	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+DMSO+H"	79.021207
"1011372"	325.127176	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2ACN+H"	83.060376
"1528404"	326.120808	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+Na+H"	84.054008
"995948"	163.067226	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2ACN+2H"	84.067652
"1590451"	327.035428	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K+HCOOH"	84.968628
"1419393"	357.066938	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+CF3COOH"	115.000138
"1155149"	183.580501	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+3ACN+2H"	125.094202
"1709078"	374.093485	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+NH4+CF3COOH"	132.026685
"1643634"	379.04888	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na+CF3COOH"	136.98208
"1583659"	395.02282	"C03366"	"5-Phosphonooxy-L-lysine;O-Phosphohydroxy-L-lysine;(5R)-5-Phosphonooxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K+CF3COOH"	152.95602
"814024"	504.169	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M"	0
"987192"	485.15061	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"70331"	335.105390666667	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"514266"	503.161724	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"887692"	167.049057333333	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"10641"	503.161724	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"450200"	755.246224	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"830918"	251.077224	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"86902"	1007.330724	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"526462"	1511.499724	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"907544"	503.161724	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"54266"	1024.357271	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"496013"	1528.526271	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"872723"	520.188271	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"36249"	1029.312666	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"473986"	1533.481666	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"850694"	525.143666	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1619133"	525.143666	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"94729"	521.150063	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"535222"	773.234563	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"927763"	269.065563	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"267897"	1043.307402	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"668108"	1547.476402	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1278326"	539.138402	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"24162"	1045.286606	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"459348"	1549.455606	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"833030"	541.117606	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1569023"	541.117606	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"950709"	549.167194	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"370016"	1053.336201	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"353901"	1067.351851	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1495079"	563.182851	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"961532"	571.149151	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"121377"	539.138402	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"559843"	791.222902	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1032657"	287.053902	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1253693"	583.087885	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1317598"	585.143872	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1323793"	607.125829	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"917036"	617.154586	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1293745"	653.131264	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1378468"	469.156324	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1384302"	487.1663	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"288000"	1009.345276	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"679331"	1513.514276	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1361512"	505.176276	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"137684"	505.176276	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"575059"	757.260776	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1043493"	253.091776	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"216495"	337.119942666667	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"657880"	505.176276	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1167986"	169.063609333333	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"427979"	1026.371823	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"791158"	1530.540823	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1684212"	522.202823	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"334676"	513.6895495	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"730375"	765.7740495	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1487487"	261.6050495	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"402885"	1031.327218	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"762788"	1535.496218	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1611979"	527.158218	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"322015"	516.167247	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"712246"	768.251747	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1471543"	264.082747	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1054580"	176.390923333333	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1260268"	537.202486	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"379208"	1047.301158	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"740578"	1551.470158	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1543723"	543.132158	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"301994"	524.154217	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"691614"	776.238717	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1451518"	272.069717	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"237934"	1050.371826	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1217202"	546.202826	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1196710"	273.605051	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"188838"	1053.30916	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"628686"	1557.47816	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1132641"	549.14016	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"173252"	527.158218	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"613673"	779.242718	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1127395"	275.073718	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1408000"	183.718237333333	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1437928"	551.181746	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"231997"	532.19124	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1520060"	565.23379	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"417558"	535.145188	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"778554"	787.229688	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1672700"	283.060688	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"260314"	1072.353768	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1237761"	568.184768	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1725433"	568.208293	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1190906"	191.045551333333	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1660434"	573.163688	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"171185"	1085.25704	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"605762"	1589.42604	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1093553"	581.08804	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"151471"	543.132158	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"591033"	795.216658	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1078825"	291.047658	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1109847"	583.102592	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1338579"	583.190207	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1011482"	587.229376	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1526327"	588.223008	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"993871"	294.118326	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1590561"	589.137628	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1422784"	619.169138	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1150885"	314.631601	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1704815"	636.195685	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1641558"	641.15108	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1583769"	657.12502	"C03367"	"6-alpha-Maltosylglucose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"807573"	607.199	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M"	0
"989571"	588.18061	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-H2O-H"	-19.01839
"70441"	403.792057333333	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M-3H"	-3.021828
"513281"	606.191724	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M-3H"	-3.021828
"889989"	201.392390666667	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-3H"	-3.021828
"14030"	606.191724	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M-2H"	-2.014552
"452497"	909.791224	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M-2H"	-2.014552
"832122"	302.592224	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-2H"	-2.014552
"87011"	1213.390724	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M-H"	-1.007276
"529852"	1820.589724	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M-H"	-1.007276
"907654"	606.191724	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-H"	-1.007276
"60569"	1230.417271	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M-2H+NH4"	16.019271
"497217"	1837.616271	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M-2H+NH4"	16.019271
"870646"	623.218271	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-2H+NH4"	16.019271
"36357"	1235.372666	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M-2H+Na"	20.974666
"475189"	1842.571666	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M-2H+Na"	20.974666
"850440"	628.173666	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-2H+Na"	20.974666
"1619728"	628.173666	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Na-2H"	20.974666
"95527"	624.180063	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M-H+Cl"	33.962126
"535573"	927.779563	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M-H+Cl"	33.962126
"929940"	320.580563	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-H+Cl"	33.962126
"269221"	1249.367402	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+Cl"	34.969402
"670405"	1856.566402	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+Cl"	34.969402
"1278435"	642.168402	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Cl"	34.969402
"20991"	1251.346606	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M-2H+K"	36.948606
"459458"	1858.545606	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M-2H+K"	36.948606
"833977"	644.147606	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-2H+K"	36.948606
"1568404"	644.147606	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+K-2H"	36.948606
"950819"	652.197194	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-H+HCOOH"	44.998194
"370126"	1259.396201	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+HCOOH-H"	44.998201
"354011"	1273.411851	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+Hac-H"	59.013851
"1494460"	666.212851	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Hac-H"	59.013851
"960542"	674.179151	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-H+NaCOOH"	66.980151
"112733"	642.168402	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+2Cl"	69.938804
"556672"	945.767902	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+2Cl"	69.938804
"1034586"	338.568902	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2Cl"	69.938804
"1254528"	686.117885	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Br"	78.918885
"1317707"	688.173872	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Cl+HCOOH"	80.974872
"1323903"	710.155829	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Cl+NaCOOH"	102.956829
"918240"	720.184586	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M-H+CF3COOH"	112.985586
"1293126"	756.161264	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Cl+CF3COOH"	148.962264
"1378578"	572.186324	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H-2H2O"	-35.012676
"1387328"	590.1963	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H-H2O"	-17.0027
"285924"	1215.405276	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+H"	1.007276
"679441"	1822.604276	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+H"	1.007276
"1355789"	608.206276	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H"	1.007276
"138157"	608.206276	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+2H"	2.014552
"575897"	911.805776	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+2H"	2.014552
"1043603"	304.606776	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2H"	2.014552
"213689"	405.806609333333	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+3H"	3.021828
"656530"	608.206276	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+3H"	3.021828
"1169188"	203.406942666667	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+3H"	3.021828
"429182"	1232.431823	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+NH4"	18.033823
"791268"	1839.630823	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+NH4"	18.033823
"1686509"	625.232823	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+NH4"	18.033823
"335879"	616.7195495	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+H+NH4"	19.041099
"730485"	920.3190495	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+H+NH4"	19.041099
"1489783"	313.1200495	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H+NH4"	19.041099
"405183"	1237.387218	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+Na"	22.989218
"763991"	1844.586218	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+Na"	22.989218
"1612089"	630.188218	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Na"	22.989218
"325405"	619.197247	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+H+Na"	23.996494
"714543"	922.796747	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+H+Na"	23.996494
"1470560"	315.597747	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H+Na"	23.996494
"1057241"	210.734256666667	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2H+Na"	25.00377
"1260378"	640.232486	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+CH3OH+H"	33.033486
"379318"	1253.361158	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+K"	38.963158
"742874"	1860.560158	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+K"	38.963158
"1547113"	646.162158	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+K"	38.963158
"304291"	627.184217	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+H+K"	39.970434
"691604"	930.783717	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+H+K"	39.970434
"1452721"	323.584717	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H+K"	39.970434
"240229"	1256.431826	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+ACN+H"	42.033826
"1217312"	649.232826	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+ACN+H"	42.033826
"1196820"	325.120051	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+ACN+2H"	43.041102
"188872"	1259.36916	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+2Na-H"	44.97116
"630344"	1866.56816	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+2Na-H"	44.97116
"1132021"	652.17016	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2Na-H"	44.97116
"173066"	630.188218	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+2Na"	45.978436
"613458"	933.787718	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+2Na"	45.978436
"1127505"	326.588718	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2Na"	45.978436
"1407017"	218.061570666667	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H+2Na"	46.985712
"1436945"	654.211746	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H+HCOOH"	47.012746
"232837"	635.22124	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+3H2O+2H"	56.04448
"1521993"	668.26379	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+IsoProp+H"	61.06479
"416575"	638.175188	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+Na+K"	61.952376
"778664"	941.774688	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+Na+K"	61.952376
"1678278"	334.575688	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Na+K"	61.952376
"263340"	1278.413768	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+ACN+Na"	64.015768
"1239694"	671.214768	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+ACN+Na"	64.015768
"1727366"	671.238293	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+NH4+HCOOH"	64.039293
"1192718"	225.388884666667	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+3Na"	68.967654
"1663703"	676.193688	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Na+HCOOH"	68.994688
"172557"	1291.31704	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+2K-H"	76.91904
"608059"	1898.51604	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+2K-H"	76.91904
"1093663"	684.11804	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2K-H"	76.91904
"149393"	646.162158	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"2M+2K"	77.926316
"592236"	949.761658	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"3M+2K"	77.926316
"1075655"	342.562658	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2K"	77.926316
"1109957"	686.132592	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2K+H"	78.933592
"1344156"	686.220207	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+DMSO+H"	79.021207
"1010499"	690.259376	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2ACN+H"	83.060376
"1526437"	691.253008	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+IsoProp+Na+H"	84.054008
"997261"	345.633326	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+2ACN+2H"	84.067652
"1590671"	692.167628	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+K+HCOOH"	84.968628
"1423987"	722.199138	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+H+CF3COOH"	115.000138
"1150995"	366.146601	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+3ACN+2H"	125.094202
"1710391"	739.225685	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+NH4+CF3COOH"	132.026685
"1643855"	744.18108	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+Na+CF3COOH"	136.98208
"1583879"	760.15502	"C03368"	"7-O-Phosphohygromycin"	"C20H38N3O16P"	"607.199"	"M+K+CF3COOH"	152.95602
"804406"	295.0569	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M"	0
"975749"	276.03851	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-H2O-H"	-19.01839
"63180"	195.697324	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M-3H"	-3.021828
"505739"	294.049624	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M-3H"	-3.021828
"882448"	97.345024	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-3H"	-3.021828
"8675"	294.049624	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M-2H"	-2.014552
"444959"	441.578074	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M-2H"	-2.014552
"823854"	146.521174	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-2H"	-2.014552
"88217"	589.106524	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M-H"	-1.007276
"526684"	884.163424	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M-H"	-1.007276
"905580"	294.049624	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-H"	-1.007276
"57768"	606.133071	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M-2H+NH4"	16.019271
"495142"	901.189971	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M-2H+NH4"	16.019271
"867477"	311.076171	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-2H+NH4"	16.019271
"34402"	611.088466	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M-2H+Na"	20.974666
"474933"	906.145366	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M-2H+Na"	20.974666
"851644"	316.031566	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-2H+Na"	20.974666
"1621175"	316.031566	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Na-2H"	20.974666
"95276"	312.037963	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M-H+Cl"	33.962126
"535925"	459.566413	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M-H+Cl"	33.962126
"934072"	164.509513	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-H+Cl"	33.962126
"271535"	625.083202	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+Cl"	34.969402
"663225"	920.140102	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+Cl"	34.969402
"1277452"	330.026302	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Cl"	34.969402
"28393"	627.062406	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M-2H+K"	36.948606
"459570"	922.119306	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M-2H+K"	36.948606
"837371"	332.005506	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-2H+K"	36.948606
"1560858"	332.005506	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+K-2H"	36.948606
"946556"	340.055094	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-H+HCOOH"	44.998194
"365136"	635.112001	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+HCOOH-H"	44.998201
"350478"	649.127651	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+Hac-H"	59.013851
"1496760"	354.070751	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Hac-H"	59.013851
"964306"	362.037051	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-H+NaCOOH"	66.980151
"113576"	330.026302	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+2Cl"	69.938804
"556782"	477.554752	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+2Cl"	69.938804
"1031049"	182.497852	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2Cl"	69.938804
"1241555"	373.975785	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Br"	78.918885
"1306152"	376.031772	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Cl+HCOOH"	80.974872
"1322920"	398.013729	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Cl+NaCOOH"	102.956829
"914340"	408.042486	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M-H+CF3COOH"	112.985586
"1291413"	444.019164	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Cl+CF3COOH"	148.962264
"1369946"	260.044224	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H-2H2O"	-35.012676
"1388539"	278.0542	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H-H2O"	-17.0027
"283034"	591.121076	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+H"	1.007276
"677728"	886.177976	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+H"	1.007276
"1359186"	296.064176	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H"	1.007276
"134262"	296.064176	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+2H"	2.014552
"568355"	443.592626	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+2H"	2.014552
"1043714"	148.535726	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2H"	2.014552
"214898"	197.711876	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+3H"	3.021828
"656283"	296.064176	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+3H"	3.021828
"1169304"	99.359576	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+3H"	3.021828
"438777"	608.147623	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+NH4"	18.033823
"796854"	903.204523	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+NH4"	18.033823
"1696101"	313.090723	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+NH4"	18.033823
"340372"	304.5774495	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+H+NH4"	19.041099
"730604"	452.1058995	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+H+NH4"	19.041099
"1485519"	157.0489995	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H+NH4"	19.041099
"403105"	613.103018	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+Na"	22.989218
"759727"	908.159918	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+Na"	22.989218
"1610015"	318.046118	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Na"	22.989218
"322241"	307.055147	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+H+Na"	23.996494
"709674"	454.583597	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+H+Na"	23.996494
"1462645"	159.526697	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H+Na"	23.996494
"1057359"	106.68689	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2H+Na"	25.00377
"1265604"	328.090386	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+CH3OH+H"	33.033486
"383085"	629.076958	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+K"	38.963158
"748456"	924.133858	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+K"	38.963158
"1549415"	334.020058	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+K"	38.963158
"305497"	315.042117	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+H+K"	39.970434
"693907"	462.570567	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+H+K"	39.970434
"1446386"	167.513667	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H+K"	39.970434
"236321"	632.147626	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+ACN+H"	42.033826
"1210362"	337.090726	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+ACN+H"	42.033826
"1194612"	169.049001	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+ACN+2H"	43.041102
"191989"	635.08496	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+2Na-H"	44.97116
"628710"	930.14186	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+2Na-H"	44.97116
"1141618"	340.02806	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2Na-H"	44.97116
"187351"	318.046118	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+2Na"	45.978436
"627151"	465.574568	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+2Na"	45.978436
"1128711"	170.517668	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2Na"	45.978436
"1408224"	114.014204	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H+2Na"	46.985712
"1438883"	342.069646	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H+HCOOH"	47.012746
"226753"	323.07914	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+3H2O+2H"	56.04448
"1518825"	356.12169	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+IsoProp+H"	61.06479
"411223"	326.033088	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+Na+K"	61.952376
"776591"	473.561538	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+Na+K"	61.952376
"1671827"	178.504638	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Na+K"	61.952376
"253974"	654.129568	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+ACN+Na"	64.015768
"1235431"	359.072668	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+ACN+Na"	64.015768
"1721038"	359.096193	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+NH4+HCOOH"	64.039293
"1186392"	121.341518	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+3Na"	68.967654
"1655189"	364.051588	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Na+HCOOH"	68.994688
"164236"	667.03284	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+2K-H"	76.91904
"599429"	962.08974	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+2K-H"	76.91904
"1086128"	371.97594	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2K-H"	76.91904
"145132"	334.020058	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"2M+2K"	77.926316
"582870"	481.548508	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"3M+2K"	77.926316
"1070299"	186.491608	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2K"	77.926316
"1100592"	373.990492	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2K+H"	78.933592
"1346456"	374.078107	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+DMSO+H"	79.021207
"1012799"	378.117276	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2ACN+H"	83.060376
"1526551"	379.110908	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+IsoProp+Na+H"	84.054008
"1000656"	189.562276	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+2ACN+2H"	84.067652
"1600992"	380.025528	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+K+HCOOH"	84.968628
"1426289"	410.057038	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+H+CF3COOH"	115.000138
"1157672"	210.075551	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+3ACN+2H"	125.094202
"1709411"	427.083585	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+NH4+CF3COOH"	132.026685
"1646155"	432.03898	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+Na+CF3COOH"	136.98208
"1583991"	448.01292	"C03373"	"Aminoimidazole ribotide;AIR;1-(5-Phosphoribosyl)-5-aminoimidazole;5-Phosphoribosyl-5-aminoimidazole;1-(5-Phospho-D-ribosyl)-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole"	"C8H14N3O7P"	"295.0569"	"M+K+CF3COOH"	152.95602
"804516"	760.2956	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M"	0
"976952"	741.27721	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-H2O-H"	-19.01839
"64466"	505.856457333333	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M-3H"	-3.021828
"505848"	759.288324	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M-3H"	-3.021828
"886930"	252.424590666667	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-3H"	-3.021828
"8785"	759.288324	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M-2H"	-2.014552
"447256"	1139.436124	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M-2H"	-2.014552
"826150"	379.140524	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-2H"	-2.014552
"92336"	1519.583924	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M-H"	-1.007276
"531170"	2279.879524	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M-H"	-1.007276
"906785"	759.288324	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-H"	-1.007276
"58973"	1536.610471	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M-2H+NH4"	16.019271
"498533"	2296.906071	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M-2H+NH4"	16.019271
"873053"	776.314871	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-2H+NH4"	16.019271
"36581"	1541.565866	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M-2H+Na"	20.974666
"479420"	2301.861466	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M-2H+Na"	20.974666
"855033"	781.270266	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-2H+Na"	20.974666
"1622745"	781.270266	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Na-2H"	20.974666
"98910"	777.276663	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M-H+Cl"	33.962126
"537012"	1157.424463	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M-H+Cl"	33.962126
"933086"	397.128863	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-H+Cl"	33.962126
"271644"	1555.560602	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+Cl"	34.969402
"664428"	2315.856202	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+Cl"	34.969402
"1277924"	795.265002	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Cl"	34.969402
"28867"	1557.539806	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M-2H+K"	36.948606
"462960"	2317.835406	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M-2H+K"	36.948606
"847689"	797.244206	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-2H+K"	36.948606
"1568260"	797.244206	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+K-2H"	36.948606
"953228"	805.293794	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-H+HCOOH"	44.998194
"371442"	1565.589401	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+HCOOH-H"	44.998201
"352048"	1579.605051	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+Hac-H"	59.013851
"1497601"	819.309451	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Hac-H"	59.013851
"966239"	827.275751	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-H+NaCOOH"	66.980151
"119520"	795.265002	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+2Cl"	69.938804
"562726"	1175.412802	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+2Cl"	69.938804
"1028972"	415.117202	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2Cl"	69.938804
"1242231"	839.214485	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Br"	78.918885
"1306990"	841.270472	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Cl+HCOOH"	80.974872
"1325217"	863.252429	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Cl+NaCOOH"	102.956829
"917367"	873.281186	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M-H+CF3COOH"	112.985586
"1294079"	909.257864	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Cl+CF3COOH"	148.962264
"1371146"	725.282924	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H-2H2O"	-35.012676
"1386460"	743.2929	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H-H2O"	-17.0027
"287235"	1521.598476	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+H"	1.007276
"679657"	2281.894076	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+H"	1.007276
"1360390"	761.302876	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H"	1.007276
"134372"	761.302876	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+2H"	2.014552
"570651"	1141.450676	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+2H"	2.014552
"1041637"	381.155076	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2H"	2.014552
"217928"	507.871009333333	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+3H"	3.021828
"656759"	761.302876	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+3H"	3.021828
"1170507"	254.439142666667	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+3H"	3.021828
"438887"	1538.625023	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+NH4"	18.033823
"796964"	2298.920623	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+NH4"	18.033823
"1696575"	778.329423	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+NH4"	18.033823
"341575"	769.8161495	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+H+NH4"	19.041099
"733996"	1149.9639495	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+H+NH4"	19.041099
"1485630"	389.6683495	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H+NH4"	19.041099
"403215"	1543.580418	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+Na"	22.989218
"763118"	2303.876018	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+Na"	22.989218
"1609032"	783.284818	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Na"	22.989218
"322351"	772.293847	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+H+Na"	23.996494
"710757"	1152.441647	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+H+Na"	23.996494
"1463486"	392.146047	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H+Na"	23.996494
"1057469"	261.766456666667	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2H+Na"	25.00377
"1265714"	793.329086	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+CH3OH+H"	33.033486
"384288"	1559.554358	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+K"	38.963158
"751846"	2319.849958	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+K"	38.963158
"1552805"	799.258758	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+K"	38.963158
"306700"	780.280817	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+H+K"	39.970434
"694017"	1160.428617	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+H+K"	39.970434
"1447466"	400.133017	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H+K"	39.970434
"237523"	1562.625026	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+ACN+H"	42.033826
"1211447"	802.329426	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+ACN+H"	42.033826
"1195333"	401.668351	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+ACN+2H"	43.041102
"189781"	1565.56236	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+2Na-H"	44.97116
"631655"	2325.85796	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+2Na-H"	44.97116
"1134069"	805.26676	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2Na-H"	44.97116
"186849"	783.284818	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+2Na"	45.978436
"623492"	1163.432618	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+2Na"	45.978436
"1120799"	403.137018	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2Na"	45.978436
"1407969"	269.093770666667	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H+2Na"	46.985712
"1440086"	807.308346	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H+HCOOH"	47.012746
"230144"	788.31784	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+3H2O+2H"	56.04448
"1516018"	821.36039	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+IsoProp+H"	61.06479
"415707"	791.271788	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+Na+K"	61.952376
"774514"	1171.419588	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+Na+K"	61.952376
"1668657"	411.123988	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Na+K"	61.952376
"252260"	1584.606968	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+ACN+Na"	64.015768
"1226792"	824.311368	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+ACN+Na"	64.015768
"1715679"	824.334893	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+NH4+HCOOH"	64.039293
"1186500"	276.421084666667	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+3Na"	68.967654
"1658578"	829.290288	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Na+HCOOH"	68.994688
"167626"	1597.51024	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+2K-H"	76.91904
"608286"	2357.80584	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+2K-H"	76.91904
"1085145"	837.21464	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2K-H"	76.91904
"145241"	799.258758	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"2M+2K"	77.926316
"583709"	1179.406558	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"3M+2K"	77.926316
"1071137"	419.110958	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2K"	77.926316
"1100702"	839.229192	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2K+H"	78.933592
"1344381"	839.316807	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+DMSO+H"	79.021207
"1012909"	843.355976	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2ACN+H"	83.060376
"1527754"	844.349608	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+IsoProp+Na+H"	84.054008
"990923"	422.181626	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+2ACN+2H"	84.067652
"1596363"	845.264228	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+K+HCOOH"	84.968628
"1426398"	875.295738	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+H+CF3COOH"	115.000138
"1158872"	442.694901	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+3ACN+2H"	125.094202
"1710614"	892.322285	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+NH4+CF3COOH"	132.026685
"1646265"	897.27768	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+Na+CF3COOH"	136.98208
"1584101"	913.25162	"C03374"	"Bilirubin-glucuronoside;Bilirubin monoglucuronide"	"C39H44N4O12"	"760.2956"	"M+K+CF3COOH"	152.95602
"807906"	131.1422	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M"	0
"984717"	112.12381	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-H2O-H"	-19.01839
"69680"	86.4208573333333	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M-3H"	-3.021828
"512519"	130.134924	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M-3H"	-3.021828
"892508"	42.7067906666667	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-3H"	-3.021828
"13271"	130.134924	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M-2H"	-2.014552
"453927"	195.706024	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M-2H"	-2.014552
"830635"	64.563824	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-2H"	-2.014552
"93907"	261.277124	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M-H"	-1.007276
"532374"	392.419324	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M-H"	-1.007276
"910176"	130.134924	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-H"	-1.007276
"60178"	278.303671	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M-2H+NH4"	16.019271
"498642"	409.445871	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M-2H+NH4"	16.019271
"875355"	147.161471	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-2H+NH4"	16.019271
"37789"	283.259066	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M-2H+Na"	20.974666
"473337"	414.401266	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M-2H+Na"	20.974666
"852959"	152.116866	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-2H+Na"	20.974666
"1622491"	152.116866	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Na-2H"	20.974666
"97927"	148.123263	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M-H+Cl"	33.962126
"535664"	213.694363	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M-H+Cl"	33.962126
"937571"	82.552163	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-H+Cl"	33.962126
"278315"	297.253802	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+Cl"	34.969402
"672924"	428.396002	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+Cl"	34.969402
"1280952"	166.111602	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Cl"	34.969402
"29344"	299.233006	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M-2H+K"	36.948606
"466350"	430.375206	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M-2H+K"	36.948606
"847073"	168.090806	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-2H+K"	36.948606
"1567640"	168.090806	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+K-2H"	36.948606
"954431"	176.140394	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-H+HCOOH"	44.998194
"371554"	307.282601	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+HCOOH-H"	44.998201
"356534"	321.298251	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+Hac-H"	59.013851
"1498077"	190.156051	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Hac-H"	59.013851
"967444"	198.122351	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-H+NaCOOH"	66.980151
"120728"	166.111602	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+2Cl"	69.938804
"563203"	231.682702	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+2Cl"	69.938804
"1031270"	100.540502	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2Cl"	69.938804
"1242100"	210.061085	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Br"	78.918885
"1308560"	212.117072	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Cl+HCOOH"	80.974872
"1323504"	234.099029	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Cl+NaCOOH"	102.956829
"919666"	244.127786	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M-H+CF3COOH"	112.985586
"1294189"	280.104464	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Cl+CF3COOH"	148.962264
"1371256"	96.129524	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H-2H2O"	-35.012676
"1385111"	114.1395	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H-H2O"	-17.0027
"287347"	263.291676	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+H"	1.007276
"679769"	394.433876	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+H"	1.007276
"1362687"	132.149476	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H"	1.007276
"133389"	132.149476	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+2H"	2.014552
"571855"	197.720576	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+2H"	2.014552
"1046121"	66.578376	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2H"	2.014552
"216214"	88.4354093333333	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+3H"	3.021828
"657234"	132.149476	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+3H"	3.021828
"1171711"	44.7213426666667	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+3H"	3.021828
"431703"	280.318223	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+NH4"	18.033823
"798167"	411.460423	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+NH4"	18.033823
"1695595"	149.176023	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+NH4"	18.033823
"342781"	140.6627495	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+H+NH4"	19.041099
"733015"	206.2338495	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+H+NH4"	19.041099
"1484647"	75.0916495	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H+NH4"	19.041099
"404419"	285.273618	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+Na"	22.989218
"767602"	416.415818	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+Na"	22.989218
"1610236"	154.131418	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Na"	22.989218
"320274"	143.140447	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+H+Na"	23.996494
"710868"	208.711547	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+H+Na"	23.996494
"1465418"	77.569347	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H+Na"	23.996494
"1055393"	52.0486566666667	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2H+Na"	25.00377
"1266553"	164.175686	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+CH3OH+H"	33.033486
"384398"	301.247558	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+K"	38.963158
"748678"	432.389758	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+K"	38.963158
"1552187"	170.105358	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+K"	38.963158
"303530"	151.127417	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+H+K"	39.970434
"692546"	216.698517	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+H+K"	39.970434
"1446000"	85.556317	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H+K"	39.970434
"236544"	304.318226	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+ACN+H"	42.033826
"1211074"	173.176026	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+ACN+H"	42.033826
"1196052"	87.091651	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+ACN+2H"	43.041102
"189041"	307.25556	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+2Na-H"	44.97116
"631765"	438.39776	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+2Na-H"	44.97116
"1135272"	176.11336	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2Na-H"	44.97116
"185866"	154.131418	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+2Na"	45.978436
"622509"	219.702518	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+2Na"	45.978436
"1120545"	88.560318	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2Na"	45.978436
"1408443"	59.3759706666667	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H+2Na"	46.985712
"1439467"	178.154946	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H+HCOOH"	47.012746
"226974"	159.16444	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+3H2O+2H"	56.04448
"1518315"	192.20699	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+IsoProp+H"	61.06479
"412536"	162.118388	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+Na+K"	61.952376
"775718"	227.689488	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+Na+K"	61.952376
"1672048"	96.547288	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Na+K"	61.952376
"257473"	326.300168	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+ACN+Na"	64.015768
"1230183"	195.157968	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+ACN+Na"	64.015768
"1719070"	195.181493	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+NH4+HCOOH"	64.039293
"1186609"	66.7032846666667	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+3Na"	68.967654
"1661970"	200.136888	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Na+HCOOH"	68.994688
"172642"	339.20344	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+2K-H"	76.91904
"606209"	470.34564	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+2K-H"	76.91904
"1088535"	208.06124	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2K-H"	76.91904
"154098"	170.105358	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"2M+2K"	77.926316
"589286"	235.676458	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"3M+2K"	77.926316
"1071974"	104.534258	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2K"	77.926316
"1102632"	210.075792	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2K+H"	78.933592
"1340115"	210.163407	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+DMSO+H"	79.021207
"1009738"	214.202576	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2ACN+H"	83.060376
"1525188"	215.196208	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+IsoProp+Na+H"	84.054008
"993220"	107.604926	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+2ACN+2H"	84.067652
"1593193"	216.110828	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+K+HCOOH"	84.968628
"1426508"	246.142338	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+H+CF3COOH"	115.000138
"1157889"	128.118201	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+3ACN+2H"	125.094202
"1706349"	263.168885	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+NH4+CF3COOH"	132.026685
"1646374"	268.12428	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+Na+CF3COOH"	136.98208
"1584211"	284.09822	"C03375"	"Norspermidine;Bis(3-aminopropyl)amine;33-Iminobispropylamine"	"C6H17N3"	"131.1422"	"M+K+CF3COOH"	152.95602
"811298"	178.0477	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M"	0
"982645"	159.02931	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"71981"	117.691190666667	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"508259"	177.040424	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"886058"	58.3419573333333	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"7918"	177.040424	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"447478"	266.064274	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"824186"	88.016574	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"91467"	355.088124	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"531758"	533.135824	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"905914"	177.040424	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"54820"	372.114671	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"495478"	550.162371	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"869999"	194.066971	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"36805"	377.070066	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"473085"	555.117766	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"850153"	199.022366	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1622607"	199.022366	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"101321"	195.028763	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"538697"	284.052613	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"931118"	106.004913	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"275146"	391.064802	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"668660"	569.112502	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1284346"	213.017102	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"21435"	393.044006	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"466463"	571.091706	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"846451"	214.996306	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1566660"	214.996306	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"955638"	223.045894	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"364376"	401.093601	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"349714"	415.109251	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1497826"	237.061551	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"967555"	245.027851	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"121930"	213.017102	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"561489"	302.040952	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1022635"	123.993252	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1245861"	256.966585	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1305390"	259.022572	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1323253"	281.004529	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"912852"	291.033286	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1294300"	327.009964	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1370640"	143.035024	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1385953"	161.045	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"292929"	357.102676	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"690827"	535.150376	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1365717"	179.054976	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"139333"	179.054976	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"573059"	268.078826	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1052655"	90.031126	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"219956"	119.705742666667	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"659532"	179.054976	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1175104"	60.3565093333333	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"439723"	374.129223	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"800469"	552.176923	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1696317"	196.081523	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"343258"	187.5682495	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"735314"	276.5920995	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1490955"	98.5443995	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"407571"	379.084618	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"765529"	557.132318	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1612536"	201.036918	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"320385"	190.045947	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"710982"	279.069797	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1472102"	101.022097	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1065355"	67.6838233333333	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1269219"	211.081186	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"390347"	395.058558	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"750976"	573.106258	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1553030"	217.010858	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"301820"	198.032917	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"697158"	287.056767	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1448788"	109.009067	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"238483"	398.129226	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1213375"	220.081526	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1196895"	110.544401	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"193414"	401.06656	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"639536"	579.11426	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1145967"	223.01886	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"188249"	201.036918	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"628463"	290.060768	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1130864"	112.013068	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1414030"	75.0111373333333	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1441766"	225.060446	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"229274"	206.06994	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1512962"	239.11249	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"411554"	209.023888	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"774736"	298.047738	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1669970"	120.000038	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"255398"	420.111168	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1231385"	242.063468	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1718085"	242.086993	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1185628"	82.3384513333333	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1660987"	247.042388	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"166759"	433.01444	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"601945"	611.06214	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1097392"	254.96674	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"150929"	217.010858	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"584293"	306.034708	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1075005"	127.987008	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1107120"	256.981292	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1338039"	257.068907	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1012036"	261.108076	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1530162"	262.101708	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"995518"	131.057676	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1593303"	263.016328	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1421149"	293.047838	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1155814"	151.570951	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1711565"	310.074385	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1646486"	315.02978	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1584322"	331.00372	"C03383"	"D-Galactono-14-lactone;gamma-D-Galactonolactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"808126"	260.0297	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"980568"	241.01131	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"67716"	172.345857333333	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"511649"	259.022424	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"885076"	85.6692906666667	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"6936"	259.022424	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"445401"	389.037274	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"824294"	129.007574	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"90849"	519.052124	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"530408"	779.081824	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"901650"	259.022424	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"58210"	536.078671	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"489024"	796.108371	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"864882"	276.048971	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"33633"	541.034066	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"475377"	801.063766	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"849773"	281.004366	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1618744"	281.004366	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"94348"	277.010763	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"535889"	407.025613	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"929042"	146.995913	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"271973"	555.028802	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"668770"	815.058502	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1278986"	294.999102	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"25917"	557.008006	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"460011"	817.037706	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"840364"	296.978306	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1559843"	296.978306	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"951373"	305.027894	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"366309"	565.057601	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"352383"	579.073251	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1502310"	319.043551	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"966571"	327.009851	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"123135"	294.999102	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"563059"	425.013952	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1022745"	164.984252	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1244145"	338.948585	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1306593"	341.004572	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1323727"	362.986529	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"913327"	373.015286	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1294410"	408.991964	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1370021"	225.017024	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1384238"	243.027	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"289758"	521.066676	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"689114"	781.096376	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1365827"	261.036976	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"135797"	261.036976	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"575356"	391.051826	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1052593"	131.022126	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"219235"	174.360409333333	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"659604"	261.036976	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1174121"	87.6838426666667	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"439586"	538.093223	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"800581"	798.122923	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1693265"	278.063523	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"341908"	269.5502495	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"731049"	399.5650995	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1490336"	139.5353995	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"407193"	543.048618	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"762359"	803.078318	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1609366"	283.018918	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"315391"	272.027947	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"709635"	402.042797	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1471118"	142.013097	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1062184"	95.0111566666667	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1268599"	293.063186	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"387542"	559.022558	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"749263"	819.052258	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1550949"	298.992858	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"304117"	280.014917	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"696175"	410.029767	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1448899"	150.000067	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"237500"	562.093226	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1212756"	302.063526	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1197005"	151.535401	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"192431"	565.03056	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"635274"	825.06026	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1146077"	305.00086	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"186451"	283.018918	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"628510"	413.033768	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1131141"	153.004068	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1414164"	102.338470666667	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1439689"	307.042446	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"231206"	288.05194	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1511249"	321.09449	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"410570"	291.005888	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"778126"	421.020738	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1671176"	160.991038	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"255509"	584.075168	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1230401"	324.045468	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1718194"	324.068993	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1186829"	109.665784666667	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1658911"	329.024388	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"170149"	596.97844	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"600963"	857.00814	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1094223"	336.94874	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"149948"	298.992858	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"586228"	429.007708	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1075115"	168.978008	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1107230"	338.963292	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1341429"	339.050907	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1012146"	343.090076	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1529179"	344.083708	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"992348"	172.048676	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1588306"	344.998328	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1421259"	375.029838	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1159204"	192.561951	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1710946"	392.056385	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1646596"	397.01178	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1584432"	412.98572	"C03384"	"D-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"808236"	176.0321	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M"	0
"981771"	157.01371	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"72200"	116.347457333333	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"511760"	175.024824	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"890654"	57.6700906666667	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"12509"	175.024824	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"453895"	263.040874	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"829873"	87.008774	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"90963"	351.056924	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"531247"	527.089024	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"908688"	175.024824	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"59416"	368.083471	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"495697"	544.115571	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"873498"	192.051371	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"38120"	373.038866	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"476586"	549.070966	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"853295"	197.006766	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1629390"	197.006766	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"105922"	193.013163	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"545480"	281.029213	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"938631"	104.997113	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"272084"	387.033602	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"671801"	563.065702	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1284203"	211.001502	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"23842"	389.012806	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"467776"	565.044906	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"842663"	212.980706	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1566885"	212.980706	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"951489"	221.030294	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"367518"	397.062401	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"354680"	411.078051	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1500237"	235.045951	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"969601"	243.012251	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"121059"	211.001502	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"559526"	299.017552	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1029417"	122.985452	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1245711"	254.950985	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1307067"	257.006972	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1322743"	278.988929	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"914530"	289.017686	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1291604"	324.994364	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1372685"	141.019424	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1396624"	159.0294	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"290964"	353.071476	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"691048"	529.103576	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1366507"	177.039376	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"137000"	177.039376	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"578748"	265.055426	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1052297"	89.023326	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"219103"	118.362009333333	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"659674"	177.039376	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1174231"	59.6846426666667	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"437871"	370.098023	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"800323"	546.130123	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1694106"	194.065923	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"343842"	185.5526495	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"736628"	273.5686995	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1490449"	97.5365995	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"406817"	375.053418	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"756273"	551.085518	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1610569"	199.021318	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"317325"	188.030347	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"710836"	276.046397	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1471228"	100.014297	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1064476"	67.0119566666667	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1262872"	209.065586	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"388744"	391.027358	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"749007"	567.059458	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1551059"	214.995258	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"307145"	196.017317	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"698837"	284.033367	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1447916"	108.001267	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"237610"	394.098026	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1213959"	218.065926	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1196386"	109.536601	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"192541"	397.03536	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"638666"	573.06746	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1146071"	221.00326	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"185833"	199.021318	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"627706"	287.037368	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1127438"	111.005268	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1412789"	74.3392706666667	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1443079"	223.044846	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"231680"	204.05434	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1512452"	237.09689	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"411773"	207.008288	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"779329"	295.024338	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1671286"	118.992238	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"258898"	416.079968	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1231607"	240.047868	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1724868"	240.071393	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1192048"	81.6665846666667	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1664614"	245.026788	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"168074"	428.98324	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"604352"	605.01534	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1095065"	252.95114	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"148966"	214.995258	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"587429"	303.011308	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1071942"	126.979208	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1106247"	254.965692	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1341538"	255.053307	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1014441"	259.092476	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1528192"	260.086108	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"996828"	130.049876	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1589146"	261.000728	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1416992"	291.032238	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1156034"	150.563151	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1705587"	308.058785	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1644519"	313.01418	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1584542"	328.98812	"C03387"	"D-Glucurono-62-lactone"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"813815"	121.0323	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M"	0
"988080"	102.01391	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-H2O-H"	-19.01839
"73403"	79.680924	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M-3H"	-3.021828
"511871"	120.025024	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M-3H"	-3.021828
"889672"	39.336824	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-3H"	-3.021828
"9344"	120.025024	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M-2H"	-2.014552
"449996"	180.541174	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M-2H"	-2.014552
"824517"	59.508874	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-2H"	-2.014552
"86694"	241.057324	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M-H"	-1.007276
"526257"	362.089624	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M-H"	-1.007276
"904058"	120.025024	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-H"	-1.007276
"52966"	258.083871	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M-2H+NH4"	16.019271
"491433"	379.116171	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M-2H+NH4"	16.019271
"870328"	137.051571	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-2H+NH4"	16.019271
"38230"	263.039266	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M-2H+Na"	20.974666
"473657"	384.071566	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M-2H+Na"	20.974666
"856686"	142.006966	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-2H+Na"	20.974666
"1628407"	142.006966	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Na-2H"	20.974666
"106031"	138.013363	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M-H+Cl"	33.962126
"545594"	198.529513	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M-H+Cl"	33.962126
"938014"	77.497213	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-H+Cl"	33.962126
"276937"	277.034002	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+Cl"	34.969402
"668991"	398.066302	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+Cl"	34.969402
"1281396"	156.001702	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Cl"	34.969402
"23952"	279.013206	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M-2H+K"	36.948606
"465703"	400.045506	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M-2H+K"	36.948606
"847763"	157.980906	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-2H+K"	36.948606
"1566996"	157.980906	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+K-2H"	36.948606
"954518"	166.030494	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-H+HCOOH"	44.998194
"374191"	287.062801	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+HCOOH-H"	44.998201
"357347"	301.078451	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+Hac-H"	59.013851
"1503263"	180.046151	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Hac-H"	59.013851
"969711"	188.012451	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-H+NaCOOH"	66.980151
"123356"	156.001702	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+2Cl"	69.938804
"556354"	216.517852	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+2Cl"	69.938804
"1026245"	95.485552	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2Cl"	69.938804
"1246918"	199.951185	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Br"	78.918885
"1308272"	202.007172	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Cl+HCOOH"	80.974872
"1322488"	223.989129	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Cl+NaCOOH"	102.956829
"913547"	234.017886	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M-H+CF3COOH"	112.985586
"1290622"	269.994564	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Cl+CF3COOH"	148.962264
"1373891"	86.019624	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H-2H2O"	-35.012676
"1396855"	104.0296	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H-H2O"	-17.0027
"296554"	243.071876	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+H"	1.007276
"690189"	364.104176	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+H"	1.007276
"1366413"	122.039576	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H"	1.007276
"141088"	122.039576	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+2H"	2.014552
"579599"	182.555726	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+2H"	2.014552
"1051311"	61.523426	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2H"	2.014552
"218120"	81.695476	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+3H"	3.021828
"658045"	122.039576	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+3H"	3.021828
"1175075"	41.351376	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+3H"	3.021828
"437257"	260.098423	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+NH4"	18.033823
"793147"	381.130723	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+NH4"	18.033823
"1690571"	139.066123	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+NH4"	18.033823
"337757"	130.5528495	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+H+NH4"	19.041099
"736375"	191.0689995	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+H+NH4"	19.041099
"1489466"	70.0366995	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H+NH4"	19.041099
"397212"	265.053818	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+Na"	22.989218
"757114"	386.086118	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+Na"	22.989218
"1605210"	144.021518	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Na"	22.989218
"318532"	133.030547	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+H+Na"	23.996494
"718612"	193.546697	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+H+Na"	23.996494
"1473527"	72.514397	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H+Na"	23.996494
"1064954"	48.67869	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2H+Na"	25.00377
"1271012"	154.065786	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+CH3OH+H"	33.033486
"387761"	281.027758	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+K"	38.963158
"750579"	402.060058	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+K"	38.963158
"1548624"	159.995458	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+K"	38.963158
"307255"	141.017517	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+H+K"	39.970434
"696759"	201.533667	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+H+K"	39.970434
"1448026"	80.501367	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H+K"	39.970434
"237720"	284.098426	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+ACN+H"	42.033826
"1216255"	163.066126	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+ACN+H"	42.033826
"1197225"	82.036701	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+ACN+2H"	43.041102
"192285"	287.03576	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+2Na-H"	44.97116
"643646"	408.06806	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+2Na-H"	44.97116
"1144111"	166.00346	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2Na-H"	44.97116
"185943"	144.021518	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+2Na"	45.978436
"626598"	204.537668	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+2Na"	45.978436
"1128283"	83.505368	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2Na"	45.978436
"1407796"	56.006004	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H+2Na"	46.985712
"1436630"	168.045046	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H+HCOOH"	47.012746
"223409"	149.05454	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+3H2O+2H"	56.04448
"1513655"	182.09709	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+IsoProp+H"	61.06479
"414070"	152.008488	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+Na+K"	61.952376
"777253"	212.524638	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+Na+K"	61.952376
"1671398"	91.492338	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Na+K"	61.952376
"257916"	306.080368	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+ACN+Na"	64.015768
"1232810"	185.048068	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+ACN+Na"	64.015768
"1723883"	185.071593	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+NH4+HCOOH"	64.039293
"1191062"	63.333318	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+3Na"	68.967654
"1660227"	190.026988	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Na+HCOOH"	68.994688
"162714"	318.98364	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+2K-H"	76.91904
"604464"	440.01594	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+2K-H"	76.91904
"1095537"	197.95134	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2K-H"	76.91904
"146884"	159.995458	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"2M+2K"	77.926316
"586444"	220.511608	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"3M+2K"	77.926316
"1074238"	99.479308	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2K"	77.926316
"1106353"	199.965892	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2K+H"	78.933592
"1341649"	200.053507	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+DMSO+H"	79.021207
"1007992"	204.092676	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2ACN+H"	83.060376
"1527210"	205.086308	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+IsoProp+Na+H"	84.054008
"992567"	102.549976	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+2ACN+2H"	84.067652
"1595820"	206.000928	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+K+HCOOH"	84.968628
"1423669"	236.032438	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+H+CF3COOH"	115.000138
"1157239"	123.063251	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+3ACN+2H"	125.094202
"1702414"	253.058985	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+NH4+CF3COOH"	132.026685
"1636973"	258.01438	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+Na+CF3COOH"	136.98208
"1584653"	273.98832	"C03392"	"Dimethylsulfonioacetate"	"C4H9O2S"	"121.0323"	"M+K+CF3COOH"	152.95602
"811738"	216.0035	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M"	0
"989610"	196.98511	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-H2O-H"	-19.01839
"77522"	142.995057333333	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M-3H"	-3.021828
"516354"	214.996224	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M-3H"	-3.021828
"893062"	70.9938906666667	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-3H"	-3.021828
"10548"	214.996224	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M-2H"	-2.014552
"453387"	322.997974	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M-2H"	-2.014552
"827908"	106.994474	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-2H"	-2.014552
"90085"	430.999724	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M-H"	-1.007276
"525273"	647.003224	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M-H"	-1.007276
"901982"	214.996224	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-H"	-1.007276
"54170"	448.026271	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M-2H+NH4"	16.019271
"493730"	664.029771	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M-2H+NH4"	16.019271
"872625"	232.022771	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-2H+NH4"	16.019271
"38340"	452.981666	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M-2H+Na"	20.974666
"473037"	668.985166	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M-2H+Na"	20.974666
"856796"	236.978166	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-2H+Na"	20.974666
"1627423"	236.978166	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Na-2H"	20.974666
"108327"	232.984563	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M-H+Cl"	33.962126
"547526"	340.986313	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M-H+Cl"	33.962126
"937031"	124.982813	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-H+Cl"	33.962126
"280691"	466.976402	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+Cl"	34.969402
"672381"	682.979902	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+Cl"	34.969402
"1284786"	250.972902	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Cl"	34.969402
"27343"	468.955606	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M-2H+K"	36.948606
"465813"	684.959106	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M-2H+K"	36.948606
"847994"	252.952106	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-2H+K"	36.948606
"1570753"	252.952106	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+K-2H"	36.948606
"955358"	261.001694	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-H+HCOOH"	44.998194
"373208"	477.005201	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+HCOOH-H"	44.998201
"358185"	491.020851	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+Hac-H"	59.013851
"1504467"	275.017351	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Hac-H"	59.013851
"969822"	282.983651	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-H+NaCOOH"	66.980151
"125047"	250.972902	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+2Cl"	69.938804
"558649"	358.974652	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+2Cl"	69.938804
"1032189"	142.971152	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2Cl"	69.938804
"1249215"	294.922385	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Br"	78.918885
"1318225"	296.978372	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Cl+HCOOH"	80.974872
"1324785"	318.960329	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Cl+NaCOOH"	102.956829
"913658"	328.989086	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M-H+CF3COOH"	112.985586
"1294744"	364.965764	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Cl+CF3COOH"	148.962264
"1377281"	180.990824	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H-2H2O"	-35.012676
"1396844"	199.0008	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H-H2O"	-17.0027
"298120"	433.014276	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+H"	1.007276
"687990"	649.017776	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+H"	1.007276
"1367008"	217.010776	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H"	1.007276
"141350"	217.010776	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+2H"	2.014552
"578251"	325.012526	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+2H"	2.014552
"1051788"	109.009026	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2H"	2.014552
"218960"	145.009609333333	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+3H"	3.021828
"657426"	217.010776	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+3H"	3.021828
"1176281"	73.0084426666667	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+3H"	3.021828
"436275"	450.040823	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+NH4"	18.033823
"795810"	666.044323	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+NH4"	18.033823
"1693234"	234.037323	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+NH4"	18.033823
"339691"	225.5240495	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+H+NH4"	19.041099
"735028"	333.5257995	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+H+NH4"	19.041099
"1488849"	117.5222995	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H+NH4"	19.041099
"398413"	454.996218	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+Na"	22.989218
"758315"	670.999718	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+Na"	22.989218
"1604105"	238.992718	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Na"	22.989218
"318642"	228.001747	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+H+Na"	23.996494
"718722"	336.003497	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+H+Na"	23.996494
"1474731"	119.999997	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H+Na"	23.996494
"1066885"	80.3357566666667	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2H+Na"	25.00377
"1272738"	249.036986	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+CH3OH+H"	33.033486
"388964"	470.970158	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+K"	38.963158
"752146"	686.973658	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+K"	38.963158
"1550190"	254.966658	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+K"	38.963158
"309551"	235.988717	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+H+K"	39.970434
"699786"	343.990467	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+H+K"	39.970434
"1447043"	127.986967	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H+K"	39.970434
"238558"	474.040826	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+ACN+H"	42.033826
"1216003"	258.037326	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+ACN+H"	42.033826
"1197701"	129.522301	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+ACN+2H"	43.041102
"196042"	476.97816	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+2Na-H"	44.97116
"644000"	692.98166	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+2Na-H"	44.97116
"1145561"	260.97466	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2Na-H"	44.97116
"186782"	238.992718	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+2Na"	45.978436
"627561"	346.994468	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+2Na"	45.978436
"1129730"	130.990968	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2Na"	45.978436
"1411186"	87.6630706666667	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H+2Na"	46.985712
"1442207"	263.016246	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H+HCOOH"	47.012746
"227528"	244.02574	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+3H2O+2H"	56.04448
"1517773"	277.06829	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+IsoProp+H"	61.06479
"417459"	246.979688	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+Na+K"	61.952376
"780643"	354.981438	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+Na+K"	61.952376
"1680134"	138.977938	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Na+K"	61.952376
"260213"	496.022768	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+ACN+Na"	64.015768
"1236202"	280.019268	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+ACN+Na"	64.015768
"1725088"	280.042793	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+NH4+HCOOH"	64.039293
"1192996"	94.9903846666667	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+3Na"	68.967654
"1660337"	284.998188	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Na+HCOOH"	68.994688
"168291"	508.92604	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+2K-H"	76.91904
"605668"	724.92954	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+2K-H"	76.91904
"1092367"	292.92254	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2K-H"	76.91904
"148089"	254.966658	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"2M+2K"	77.926316
"586556"	362.968408	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"3M+2K"	77.926316
"1075443"	146.964908	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2K"	77.926316
"1108651"	294.937092	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2K+H"	78.933592
"1342852"	295.024707	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+DMSO+H"	79.021207
"1010287"	299.063876	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2ACN+H"	83.060376
"1528411"	300.057508	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+IsoProp+Na+H"	84.054008
"992676"	150.035576	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+2ACN+2H"	84.067652
"1593742"	300.972128	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+K+HCOOH"	84.968628
"1423779"	331.003638	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+H+CF3COOH"	115.000138
"1156256"	170.548851	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+3ACN+2H"	125.094202
"1700337"	348.030185	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+NH4+CF3COOH"	132.026685
"1636718"	352.98558	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+Na+CF3COOH"	136.98208
"1584763"	368.95952	"C03393"	"4-Phospho-D-erythronate;4-Phosphoerythronate"	"C4H9O8P"	"216.0035"	"M+K+CF3COOH"	152.95602
"815128"	200.0086	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M"	0
"988788"	180.99021	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H2O-H"	-19.01839
"75810"	132.331790666667	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-3H"	-3.021828
"515371"	199.001324	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-3H"	-3.021828
"893172"	65.6622573333333	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-3H"	-3.021828
"7378"	199.001324	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H"	-2.014552
"452404"	299.005624	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H"	-2.014552
"828018"	98.997024	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H"	-2.014552
"86915"	399.009924	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-H"	-1.007276
"525383"	599.018524	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-H"	-1.007276
"899905"	199.001324	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H"	-1.007276
"48813"	416.036471	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+NH4"	16.019271
"491653"	616.045071	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+NH4"	16.019271
"870548"	216.027871	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+NH4"	16.019271
"38450"	420.991866	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+Na"	20.974666
"479104"	621.000466	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+Na"	20.974666
"856906"	220.983266	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+Na"	20.974666
"1627536"	220.983266	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na-2H"	20.974666
"106253"	216.989663	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-H+Cl"	33.962126
"545449"	316.993963	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-H+Cl"	33.962126
"937141"	116.985363	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+Cl"	33.962126
"282139"	434.986602	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Cl"	34.969402
"671401"	634.995202	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+Cl"	34.969402
"1284897"	234.978002	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl"	34.969402
"23080"	436.965806	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+K"	36.948606
"465923"	636.974406	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+K"	36.948606
"847983"	236.957206	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+K"	36.948606
"1570135"	236.957206	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K-2H"	36.948606
"955830"	245.006794	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+HCOOH"	44.998194
"373318"	445.015401	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+HCOOH-H"	44.998201
"359026"	459.031051	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Hac-H"	59.013851
"1500568"	259.022451	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Hac-H"	59.013851
"965922"	266.988751	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+NaCOOH"	66.980151
"114830"	234.978002	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Cl"	69.938804
"560947"	334.982302	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Cl"	69.938804
"1028653"	134.973702	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2Cl"	69.938804
"1249325"	278.927485	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Br"	78.918885
"1306305"	280.983472	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+HCOOH"	80.974872
"1321613"	302.965429	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+NaCOOH"	102.956829
"914859"	312.994186	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+CF3COOH"	112.985586
"1290112"	348.970864	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+CF3COOH"	148.962264
"1375204"	164.995924	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H-2H2O"	-35.012676
"1398055"	183.0059	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H-H2O"	-17.0027
"296773"	401.024476	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H"	1.007276
"689922"	601.033076	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H"	1.007276
"1365907"	201.015876	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H"	1.007276
"140498"	201.015876	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2H"	2.014552
"576904"	301.020176	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2H"	2.014552
"1050806"	101.011576	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2H"	2.014552
"217978"	134.346342666667	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H"	3.021828
"656443"	201.015876	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+3H"	3.021828
"1174935"	67.6768093333333	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+3H"	3.021828
"436387"	418.051023	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+NH4"	18.033823
"793368"	618.059623	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+NH4"	18.033823
"1690791"	218.042423	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4"	18.033823
"339072"	209.5291495	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+NH4"	19.041099
"734774"	309.5334495	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+NH4"	19.041099
"1487501"	109.5248495	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+NH4"	19.041099
"398523"	423.006418	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na"	22.989218
"758427"	623.015018	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na"	22.989218
"1607614"	222.997818	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na"	22.989218
"316556"	212.006847	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+Na"	23.996494
"717739"	312.011147	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+Na"	23.996494
"1474841"	112.002547	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+Na"	23.996494
"1064079"	75.0041233333333	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2H+Na"	25.00377
"1271838"	233.042086	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+CH3OH+H"	33.033486
"388345"	438.980358	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+K"	38.963158
"750434"	638.988958	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+K"	38.963158
"1548114"	238.971758	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K"	38.963158
"308568"	219.993817	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+K"	39.970434
"697708"	319.998117	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+K"	39.970434
"1447153"	119.989517	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+K"	39.970434
"240126"	442.051026	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+H"	42.033826
"1213927"	242.042426	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+H"	42.033826
"1198539"	121.524851	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+2H"	43.041102
"193966"	444.98836	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na-H"	44.97116
"642649"	644.99696	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na-H"	44.97116
"1145671"	244.97976	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na-H"	44.97116
"187135"	222.997818	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na"	45.978436
"627672"	323.002118	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na"	45.978436
"1129959"	122.993518	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na"	45.978436
"1411296"	82.3314373333333	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+2Na"	46.985712
"1440131"	247.021346	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+HCOOH"	47.012746
"224722"	228.03084	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H2O+2H"	56.04448
"1516790"	261.07339	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+H"	61.06479
"417569"	230.984788	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na+K"	61.952376
"780753"	330.989088	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na+K"	61.952376
"1680123"	130.980488	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+K"	61.952376
"260323"	464.032968	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+Na"	64.015768
"1237406"	264.024368	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+Na"	64.015768
"1726291"	264.047893	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+HCOOH"	64.039293
"1192378"	89.6587513333333	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+3Na"	68.967654
"1660447"	269.003288	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+HCOOH"	68.994688
"167309"	476.93624	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K-H"	76.91904
"608330"	676.94484	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K-H"	76.91904
"1092477"	276.92764	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2K-H"	76.91904
"150387"	238.971758	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K"	77.926316
"587759"	338.976058	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K"	77.926316
"1076646"	138.967458	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2K"	77.926316
"1108763"	278.942192	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2K+H"	78.933592
"1344055"	279.029807	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+DMSO+H"	79.021207
"1010395"	283.068976	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+H"	83.060376
"1529615"	284.062608	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+Na+H"	84.054008
"994973"	142.038126	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+2H"	84.067652
"1593852"	284.977228	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K+HCOOH"	84.968628
"1421703"	315.008738	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+CF3COOH"	115.000138
"1155273"	162.551401	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+3ACN+2H"	125.094202
"1701540"	332.035285	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+CF3COOH"	132.026685
"1636828"	336.99068	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+CF3COOH"	136.98208
"1584873"	352.96462	"C03394"	"Erythrulose 1-phosphate;L-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K+CF3COOH"	152.95602
"814147"	104.0586	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M"	0
"985492"	85.04021	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-H2O-H"	-19.01839
"75924"	68.365124	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M-3H"	-3.021828
"516213"	103.051324	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M-3H"	-3.021828
"892557"	33.678924	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-3H"	-3.021828
"11859"	103.051324	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M-2H"	-2.014552
"449231"	155.080624	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M-2H"	-2.014552
"821568"	51.022024	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-2H"	-2.014552
"89215"	207.109924	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M-H"	-1.007276
"523304"	311.168524	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M-H"	-1.007276
"903297"	103.051324	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-H"	-1.007276
"52204"	224.136471	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M-2H+NH4"	16.019271
"490671"	328.195071	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M-2H+NH4"	16.019271
"868471"	120.077871	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-2H+NH4"	16.019271
"38562"	229.091866	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M-2H+Na"	20.974666
"481403"	333.150466	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M-2H+Na"	20.974666
"859206"	125.033266	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-2H+Na"	20.974666
"1632021"	125.033266	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Na-2H"	20.974666
"108068"	121.039663	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M-H+Cl"	33.962126
"548113"	173.068963	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M-H+Cl"	33.962126
"941752"	69.010363	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-H+Cl"	33.962126
"280793"	243.086602	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+Cl"	34.969402
"673336"	347.145202	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+Cl"	34.969402
"1280635"	139.028002	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Cl"	34.969402
"22100"	245.065806	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M-2H+K"	36.948606
"461661"	349.124406	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M-2H+K"	36.948606
"836184"	141.007206	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-2H+K"	36.948606
"1560766"	141.007206	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+K-2H"	36.948606
"944635"	149.056794	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-H+HCOOH"	44.998194
"363583"	253.115401	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+HCOOH-H"	44.998201
"346735"	267.131051	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+Hac-H"	59.013851
"1496300"	163.072451	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Hac-H"	59.013851
"960565"	171.038751	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-H+NaCOOH"	66.980151
"110275"	139.028002	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+2Cl"	69.938804
"551581"	191.057302	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+2Cl"	69.938804
"1023048"	86.998702	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2Cl"	69.938804
"1243357"	182.977485	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Br"	78.918885
"1306047"	185.033472	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Cl+HCOOH"	80.974872
"1320992"	207.015429	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Cl+NaCOOH"	102.956829
"926410"	217.044186	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M-H+CF3COOH"	112.985586
"1301529"	253.020864	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Cl+CF3COOH"	148.962264
"1379699"	69.045924	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H-2H2O"	-35.012676
"1393913"	87.0559	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H-H2O"	-17.0027
"295787"	209.124476	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+H"	1.007276
"688938"	313.183076	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+H"	1.007276
"1366261"	105.065876	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H"	1.007276
"140122"	105.065876	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+2H"	2.014552
"579925"	157.095176	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+2H"	2.014552
"1049823"	53.036576	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2H"	2.014552
"216995"	70.379676	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+3H"	3.021828
"655827"	105.065876	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+3H"	3.021828
"1168116"	35.693476	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+3H"	3.021828
"435763"	226.151023	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+NH4"	18.033823
"797487"	330.209623	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+NH4"	18.033823
"1689807"	122.092423	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+NH4"	18.033823
"342461"	113.5791495	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+H+NH4"	19.041099
"735609"	165.6084495	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+H+NH4"	19.041099
"1483596"	61.5498495	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H+NH4"	19.041099
"396811"	231.106418	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+Na"	22.989218
"757448"	335.165018	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+Na"	22.989218
"1611017"	127.047818	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Na"	22.989218
"327623"	116.056847	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+H+Na"	23.996494
"722618"	168.086147	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+H+Na"	23.996494
"1476947"	64.027547	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H+Na"	23.996494
"1068350"	43.02079	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2H+Na"	25.00377
"1272068"	137.092086	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+CH3OH+H"	33.033486
"390646"	247.080358	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+K"	38.963158
"749453"	351.138958	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+K"	38.963158
"1549318"	143.021758	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+K"	38.963158
"306493"	124.043817	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+H+K"	39.970434
"698912"	176.073117	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+H+K"	39.970434
"1453826"	72.014517	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H+K"	39.970434
"247897"	250.151026	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+ACN+H"	42.033826
"1224619"	146.092426	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+ACN+H"	42.033826
"1208873"	73.549851	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+ACN+2H"	43.041102
"202839"	253.08836	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+2Na-H"	44.97116
"643374"	357.14696	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+2Na-H"	44.97116
"1145176"	149.02976	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2Na-H"	44.97116
"185186"	127.047818	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+2Na"	45.978436
"623651"	179.077118	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+2Na"	45.978436
"1125332"	75.018518	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2Na"	45.978436
"1403021"	50.348104	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H+2Na"	46.985712
"1436957"	151.071346	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H+HCOOH"	47.012746
"226650"	132.08084	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+3H2O+2H"	56.04448
"1516901"	165.12339	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+IsoProp+H"	61.06479
"417681"	135.034788	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+Na+K"	61.952376
"781955"	187.064088	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+Na+K"	61.952376
"1676099"	83.005488	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Na+K"	61.952376
"262619"	272.132968	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+ACN+Na"	64.015768
"1237513"	168.074368	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+ACN+Na"	64.015768
"1723488"	168.097893	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+NH4+HCOOH"	64.039293
"1189206"	57.675418	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+3Na"	68.967654
"1660556"	173.053288	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Na+HCOOH"	68.994688
"165232"	285.03624	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+2K-H"	76.91904
"603699"	389.09484	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+2K-H"	76.91904
"1089670"	180.97764	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2K-H"	76.91904
"148311"	143.021758	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"2M+2K"	77.926316
"588964"	195.051058	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"3M+2K"	77.926316
"1075665"	90.992458	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2K"	77.926316
"1104498"	182.992192	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2K+H"	78.933592
"1339788"	183.079807	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+DMSO+H"	79.021207
"1009416"	187.118976	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2ACN+H"	83.060376
"1530826"	188.112608	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+IsoProp+Na+H"	84.054008
"996182"	94.063126	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+2ACN+2H"	84.067652
"1596152"	189.027228	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+K+HCOOH"	84.968628
"1420723"	219.058738	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+H+CF3COOH"	115.000138
"1154291"	114.576401	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+3ACN+2H"	125.094202
"1700561"	236.085285	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+NH4+CF3COOH"	132.026685
"1648972"	241.04068	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+Na+CF3COOH"	136.98208
"1584985"	257.01462	"C03401"	"3-Amino-L-alanine;L-23-Diaminopropanoate;L-23-Diaminopropionate;L-23-Diaminopropionic acid;L-23-Diaminopropanoic acid;(S)-23-Diaminopropanoate"	"C3H8N2O2"	"104.0586"	"M+K+CF3COOH"	152.95602
"812071"	195.0895	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M"	0
"979044"	176.07111	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-H2O-H"	-19.01839
"71658"	129.052390666667	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M-3H"	-3.021828
"511218"	194.082224	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M-3H"	-3.021828
"886833"	64.0225573333333	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-3H"	-3.021828
"6502"	194.082224	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M-2H"	-2.014552
"448251"	291.626974	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M-2H"	-2.014552
"821678"	96.537474	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-2H"	-2.014552
"81671"	389.171724	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M-H"	-1.007276
"524508"	584.261224	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M-H"	-1.007276
"900127"	194.082224	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-H"	-1.007276
"52314"	406.198271	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M-2H+NH4"	16.019271
"490780"	601.287771	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M-2H+NH4"	16.019271
"868584"	211.108771	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-2H+NH4"	16.019271
"40860"	411.153666	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M-2H+Na"	20.974666
"479328"	606.243166	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M-2H+Na"	20.974666
"861505"	216.064166	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-2H+Na"	20.974666
"1633597"	216.064166	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Na-2H"	20.974666
"102098"	212.070563	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M-H+Cl"	33.962126
"542756"	309.615313	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M-H+Cl"	33.962126
"932990"	114.525813	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-H+Cl"	33.962126
"275922"	425.148402	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+Cl"	34.969402
"674056"	620.237902	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+Cl"	34.969402
"1281841"	230.058902	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Cl"	34.969402
"20387"	427.127606	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M-2H+K"	36.948606
"457396"	622.217106	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M-2H+K"	36.948606
"837386"	232.038106	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-2H+K"	36.948606
"1557960"	232.038106	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+K-2H"	36.948606
"944751"	240.087694	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-H+HCOOH"	44.998194
"362233"	435.177201	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+HCOOH-H"	44.998201
"350128"	449.192851	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+Hac-H"	59.013851
"1493255"	254.103351	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Hac-H"	59.013851
"960675"	262.069651	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-H+NaCOOH"	66.980151
"111038"	230.058902	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+2Cl"	69.938804
"554240"	327.603652	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+2Cl"	69.938804
"1023401"	132.514152	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2Cl"	69.938804
"1241650"	274.008385	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Br"	78.918885
"1305793"	276.064372	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Cl+HCOOH"	80.974872
"1332779"	298.046329	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Cl+NaCOOH"	102.956829
"920557"	308.075086	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M-H+CF3COOH"	112.985586
"1301647"	344.051764	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Cl+CF3COOH"	148.962264
"1378714"	160.076824	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H-2H2O"	-35.012676
"1395117"	178.0868	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H-H2O"	-17.0027
"295897"	391.186276	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+H"	1.007276
"689412"	586.275776	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+H"	1.007276
"1363572"	196.096776	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H"	1.007276
"138650"	196.096776	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+2H"	2.014552
"578212"	293.641526	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+2H"	2.014552
"1050292"	98.552026	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2H"	2.014552
"219047"	131.066942666667	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+3H"	3.021828
"650101"	196.096776	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+3H"	3.021828
"1170413"	66.0371093333333	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+3H"	3.021828
"432591"	408.212823	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+NH4"	18.033823
"796865"	603.302323	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+NH4"	18.033823
"1692101"	213.123323	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+NH4"	18.033823
"339289"	204.6100495	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+H+NH4"	19.041099
"727700"	302.1547995	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+H+NH4"	19.041099
"1481884"	107.0652995	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H+NH4"	19.041099
"394499"	413.168218	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+Na"	22.989218
"759752"	608.257718	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+Na"	22.989218
"1606757"	218.078718	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Na"	22.989218
"320075"	207.087747	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+H+Na"	23.996494
"713591"	304.632497	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+H+Na"	23.996494
"1470694"	109.542997	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H+Na"	23.996494
"1067954"	73.3644233333333	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2H+Na"	25.00377
"1270606"	228.122986	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+CH3OH+H"	33.033486
"389300"	429.142158	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+K"	38.963158
"749199"	624.231658	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+K"	38.963158
"1551251"	234.052658	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+K"	38.963158
"306602"	215.074717	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+H+K"	39.970434
"699022"	312.619467	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+H+K"	39.970434
"1451751"	117.529967	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H+K"	39.970434
"245821"	432.212826	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+ACN+H"	42.033826
"1224127"	237.123326	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+ACN+H"	42.033826
"1209109"	119.065301	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+ACN+2H"	43.041102
"201852"	435.15016	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+2Na-H"	44.97116
"641781"	630.23966	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+2Na-H"	44.97116
"1144560"	240.06066	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2Na-H"	44.97116
"186388"	218.078718	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+2Na"	45.978436
"624488"	315.623468	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+2Na"	45.978436
"1127993"	120.533968	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2Na"	45.978436
"1406048"	80.6917373333333	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H+2Na"	46.985712
"1434152"	242.102246	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H+HCOOH"	47.012746
"225666"	223.11174	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+3H2O+2H"	56.04448
"1514824"	256.15429	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+IsoProp+H"	61.06479
"415603"	226.065688	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+Na+K"	61.952376
"782066"	323.610438	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+Na+K"	61.952376
"1678033"	128.520938	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Na+K"	61.952376
"263822"	454.194768	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+ACN+Na"	64.015768
"1235441"	259.105268	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+ACN+Na"	64.015768
"1719954"	259.128793	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+NH4+HCOOH"	64.039293
"1187857"	88.0190513333333	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+3Na"	68.967654
"1659572"	264.084188	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Na+HCOOH"	68.994688
"162064"	467.09804	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+2K-H"	76.91904
"599073"	662.18754	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+2K-H"	76.91904
"1087230"	272.00854	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2K-H"	76.91904
"145139"	234.052658	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"2M+2K"	77.926316
"585791"	331.597408	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"3M+2K"	77.926316
"1070672"	136.507908	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2K"	77.926316
"1105701"	274.023092	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2K+H"	78.933592
"1338813"	274.110707	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+DMSO+H"	79.021207
"1011722"	278.149876	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2ACN+H"	83.060376
"1528750"	279.143508	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+IsoProp+Na+H"	84.054008
"997385"	139.578576	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+2ACN+2H"	84.067652
"1592982"	280.058128	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+K+HCOOH"	84.968628
"1419737"	310.089638	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+H+CF3COOH"	115.000138
"1153309"	160.091851	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+3ACN+2H"	125.094202
"1700673"	327.116185	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+NH4+CF3COOH"	132.026685
"1636323"	332.07158	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+Na+CF3COOH"	136.98208
"1585096"	348.04552	"C03404"	"L-Tyrosine methyl ester"	"C10H13NO3"	"195.0895"	"M+K+CF3COOH"	152.95602
"805621"	290.1226	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M"	0
"980246"	271.10421	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-H2O-H"	-19.01839
"71768"	192.407790666667	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M-3H"	-3.021828
"511330"	289.115324	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M-3H"	-3.021828
"886944"	95.7002573333333	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-3H"	-3.021828
"7708"	289.115324	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M-2H"	-2.014552
"451278"	434.176624	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M-2H"	-2.014552
"825071"	144.054024	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-2H"	-2.014552
"83968"	579.237924	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M-H"	-1.007276
"525716"	869.360524	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M-H"	-1.007276
"904611"	289.115324	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-H"	-1.007276
"52424"	596.264471	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M-2H+NH4"	16.019271
"490894"	886.387071	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M-2H+NH4"	16.019271
"867603"	306.141871	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-2H+NH4"	16.019271
"36595"	601.219866	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M-2H+Na"	20.974666
"473242"	891.342466	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M-2H+Na"	20.974666
"860521"	311.097266	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-2H+Na"	20.974666
"1626776"	311.097266	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Na-2H"	20.974666
"97473"	307.103663	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M-H+Cl"	33.962126
"536670"	452.164963	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M-H+Cl"	33.962126
"934193"	162.042363	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-H+Cl"	33.962126
"273844"	615.214602	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+Cl"	34.969402
"665174"	905.337202	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+Cl"	34.969402
"1275025"	325.092002	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Cl"	34.969402
"17950"	617.193806	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M-2H+K"	36.948606
"457019"	907.316406	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M-2H+K"	36.948606
"834578"	327.071206	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-2H+K"	36.948606
"1556975"	327.071206	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+K-2H"	36.948606
"944859"	335.120794	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-H+HCOOH"	44.998194
"363073"	625.243401	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+HCOOH-H"	44.998201
"347814"	639.259051	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+Hac-H"	59.013851
"1496526"	349.136451	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Hac-H"	59.013851
"960785"	357.102751	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-H+NaCOOH"	66.980151
"111269"	325.092002	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+2Cl"	69.938804
"552529"	470.153302	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+2Cl"	69.938804
"1021939"	180.030702	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2Cl"	69.938804
"1241474"	369.041485	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Br"	78.918885
"1316486"	371.097472	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Cl+HCOOH"	80.974872
"1328514"	393.079429	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Cl+NaCOOH"	102.956829
"922861"	403.108186	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M-H+CF3COOH"	112.985586
"1300664"	439.084864	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Cl+CF3COOH"	148.962264
"1377731"	255.109924	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H-2H2O"	-35.012676
"1395226"	273.1199	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H-H2O"	-17.0027
"291631"	581.252476	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+H"	1.007276
"680776"	871.375076	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+H"	1.007276
"1353844"	291.129876	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H"	1.007276
"130013"	291.129876	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+2H"	2.014552
"572854"	436.191176	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+2H"	2.014552
"1040560"	146.068576	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2H"	2.014552
"208459"	194.422342666667	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+3H"	3.021828
"649845"	291.129876	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+3H"	3.021828
"1168333"	97.7148093333333	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+3H"	3.021828
"434157"	598.279023	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+NH4"	18.033823
"796975"	888.401623	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+NH4"	18.033823
"1693306"	308.156423	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+NH4"	18.033823
"332109"	299.6431495	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+H+NH4"	19.041099
"726354"	444.7044495	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+H+NH4"	19.041099
"1481643"	154.5818495	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H+NH4"	19.041099
"403238"	603.234418	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+Na"	22.989218
"760958"	893.357018	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+Na"	22.989218
"1606872"	313.111818	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Na"	22.989218
"319093"	302.120847	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+H+Na"	23.996494
"718444"	447.182147	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+H+Na"	23.996494
"1469712"	157.059547	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H+Na"	23.996494
"1067095"	105.042123333333	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2H+Na"	25.00377
"1269743"	323.156086	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+CH3OH+H"	33.033486
"389045"	619.208358	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+K"	38.963158
"748580"	909.330958	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+K"	38.963158
"1546256"	329.085758	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+K"	38.963158
"301244"	310.107817	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+H+K"	39.970434
"695853"	455.169117	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+H+K"	39.970434
"1452954"	165.046517	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H+K"	39.970434
"249218"	622.279026	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+ACN+H"	42.033826
"1223519"	332.156426	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+ACN+H"	42.033826
"1207643"	166.581851	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+ACN+2H"	43.041102
"200511"	625.21636	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+2Na-H"	44.97116
"641891"	915.33896	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+2Na-H"	44.97116
"1143578"	335.09376	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2Na-H"	44.97116
"186498"	313.111818	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+2Na"	45.978436
"623505"	458.173118	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+2Na"	45.978436
"1128104"	168.050518	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2Na"	45.978436
"1406158"	112.369437333333	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H+2Na"	46.985712
"1434263"	337.135346	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H+HCOOH"	47.012746
"226870"	318.14484	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+3H2O+2H"	56.04448
"1513840"	351.18739	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+IsoProp+H"	61.06479
"417899"	321.098788	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+Na+K"	61.952376
"782175"	466.160088	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+Na+K"	61.952376
"1678143"	176.037488	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Na+K"	61.952376
"258831"	644.260968	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+ACN+Na"	64.015768
"1232274"	354.138368	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+ACN+Na"	64.015768
"1720066"	354.161893	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+NH4+HCOOH"	64.039293
"1186874"	119.696751333333	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+3Na"	68.967654
"1654220"	359.117288	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Na+HCOOH"	68.994688
"161081"	657.16424	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+2K-H"	76.91904
"600276"	947.28684	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+2K-H"	76.91904
"1085153"	367.04164	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2K-H"	76.91904
"144519"	329.085758	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"2M+2K"	77.926316
"581775"	474.147058	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"3M+2K"	77.926316
"1070421"	184.024458	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2K"	77.926316
"1105820"	369.056192	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2K+H"	78.933592
"1338927"	369.143807	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+DMSO+H"	79.021207
"1010736"	373.182976	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2ACN+H"	83.060376
"1531046"	374.176608	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+IsoProp+Na+H"	84.054008
"997495"	187.095126	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+2ACN+2H"	84.067652
"1589817"	375.091228	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+K+HCOOH"	84.968628
"1418757"	405.122738	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+H+CF3COOH"	115.000138
"1152326"	207.608401	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+3ACN+2H"	125.094202
"1700783"	422.149285	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+NH4+CF3COOH"	132.026685
"1636433"	427.10468	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+Na+CF3COOH"	136.98208
"1585207"	443.07862	"C03406"	"N-(L-Arginino)succinate;2-(Nomega-L-Arginino)succinate;L-Argininosuccinate;L-Argininosuccinic acid;L-Arginosuccinic acid"	"C10H18N4O6"	"290.1226"	"M+K+CF3COOH"	152.95602
"805731"	235.0692	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M"	0
"979263"	216.05081	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-H2O-H"	-19.01839
"71878"	155.705524	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M-3H"	-3.021828
"514720"	234.061924	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M-3H"	-3.021828
"889241"	77.349124	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-3H"	-3.021828
"7818"	234.061924	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M-2H"	-2.014552
"451752"	351.596524	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M-2H"	-2.014552
"824088"	116.527324	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-2H"	-2.014552
"84078"	469.131124	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M-H"	-1.007276
"525826"	704.200324	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M-H"	-1.007276
"902535"	234.061924	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-H"	-1.007276
"49376"	486.157671	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M-2H+NH4"	16.019271
"489912"	721.226871	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M-2H+NH4"	16.019271
"868807"	251.088471	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-2H+NH4"	16.019271
"35613"	491.113066	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M-2H+Na"	20.974666
"474201"	726.182266	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M-2H+Na"	20.974666
"855161"	256.043866	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-2H+Na"	20.974666
"1627977"	256.043866	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Na-2H"	20.974666
"97585"	252.050263	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M-H+Cl"	33.962126
"537145"	369.584863	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M-H+Cl"	33.962126
"929930"	134.515663	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-H+Cl"	33.962126
"270674"	505.107802	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+Cl"	34.969402
"665285"	740.177002	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+Cl"	34.969402
"1275011"	270.038602	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Cl"	34.969402
"18060"	507.087006	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M-2H+K"	36.948606
"457978"	742.156206	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M-2H+K"	36.948606
"835051"	272.017806	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-2H+K"	36.948606
"1556478"	272.017806	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+K-2H"	36.948606
"944604"	280.067394	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-H+HCOOH"	44.998194
"363912"	515.136601	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+HCOOH-H"	44.998201
"348896"	529.152251	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+Hac-H"	59.013851
"1497729"	294.083051	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Hac-H"	59.013851
"960895"	302.049351	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-H+NaCOOH"	66.980151
"111015"	270.038602	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+2Cl"	69.938804
"552639"	387.573202	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+2Cl"	69.938804
"1022779"	152.504002	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2Cl"	69.938804
"1241543"	313.988085	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Br"	78.918885
"1317689"	316.044072	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Cl+HCOOH"	80.974872
"1328624"	338.026029	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Cl+NaCOOH"	102.956829
"919687"	348.054786	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M-H+CF3COOH"	112.985586
"1299676"	384.031464	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Cl+CF3COOH"	148.962264
"1376745"	200.056524	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H-2H2O"	-35.012676
"1392056"	218.0665	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H-H2O"	-17.0027
"292834"	471.145676	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+H"	1.007276
"684163"	706.214876	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+H"	1.007276
"1354317"	236.076476	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H"	1.007276
"131579"	236.076476	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+2H"	2.014552
"578430"	353.611076	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+2H"	2.014552
"1038846"	118.541876	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2H"	2.014552
"206380"	157.720076	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+3H"	3.021828
"647764"	236.076476	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+3H"	3.021828
"1163822"	79.363676	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+3H"	3.021828
"430621"	488.172223	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+NH4"	18.033823
"791981"	723.241423	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+NH4"	18.033823
"1689041"	253.103023	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+NH4"	18.033823
"331972"	244.5897495	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+H+NH4"	19.041099
"724635"	362.1243495	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+H+NH4"	19.041099
"1481387"	127.0551495	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H+NH4"	19.041099
"398973"	493.127618	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+Na"	22.989218
"763254"	728.196818	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+Na"	22.989218
"1606978"	258.058418	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Na"	22.989218
"321389"	247.067447	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+H+Na"	23.996494
"717092"	364.602047	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+H+Na"	23.996494
"1472737"	129.532847	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H+Na"	23.996494
"1066348"	86.69099	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2H+Na"	25.00377
"1265838"	268.102686	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+CH3OH+H"	33.033486
"388788"	509.101558	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+K"	38.963158
"747596"	744.170758	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+K"	38.963158
"1544179"	274.032358	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+K"	38.963158
"300258"	255.054417	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+H+K"	39.970434
"695963"	372.589017	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+H+K"	39.970434
"1453064"	137.519817	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H+K"	39.970434
"249328"	512.172226	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+ACN+H"	42.033826
"1224353"	277.103026	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+ACN+H"	42.033826
"1207632"	139.055151	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+ACN+2H"	43.041102
"202687"	515.10956	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+2Na-H"	44.97116
"642367"	750.17876	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+2Na-H"	44.97116
"1145141"	280.04036	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2Na-H"	44.97116
"186370"	258.058418	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+2Na"	45.978436
"625802"	375.593018	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+2Na"	45.978436
"1123840"	140.523818	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2Na"	45.978436
"1405174"	94.018304	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H+2Na"	46.985712
"1434008"	282.081946	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H+HCOOH"	47.012746
"225887"	263.09144	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+3H2O+2H"	56.04448
"1511763"	296.13399	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+IsoProp+H"	61.06479
"416916"	266.045388	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+Na+K"	61.952376
"782285"	383.579988	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+Na+K"	61.952376
"1676429"	148.510788	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Na+K"	61.952376
"256755"	534.154168	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+ACN+Na"	64.015768
"1229468"	299.084968	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+ACN+Na"	64.015768
"1716531"	299.108493	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+NH4+HCOOH"	64.039293
"1184798"	101.345618	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+3Na"	68.967654
"1654330"	304.063888	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Na+HCOOH"	68.994688
"161191"	547.05744	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+2K-H"	76.91904
"599293"	782.12664	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+2K-H"	76.91904
"1084897"	311.98824	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2K-H"	76.91904
"144265"	274.032358	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"2M+2K"	77.926316
"581882"	391.566958	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"3M+2K"	77.926316
"1070531"	156.497758	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2K"	77.926316
"1105930"	314.002792	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2K+H"	78.933592
"1341223"	314.090407	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+DMSO+H"	79.021207
"1013033"	318.129576	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2ACN+H"	83.060376
"1531156"	319.123208	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+IsoProp+Na+H"	84.054008
"996512"	159.568426	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+2ACN+2H"	84.067652
"1592113"	320.037828	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+K+HCOOH"	84.968628
"1417774"	350.069338	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+H+CF3COOH"	115.000138
"1152436"	180.081701	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+3ACN+2H"	125.094202
"1701986"	367.095885	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+NH4+CF3COOH"	132.026685
"1636543"	372.05128	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+Na+CF3COOH"	136.98208
"1585317"	388.02522	"C03408"	"N-Acetylgalactosaminate"	"C8H13NO7"	"235.0692"	"M+K+CF3COOH"	152.95602
"805841"	160.0484	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M"	0
"979373"	141.03001	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-H2O-H"	-19.01839
"71988"	105.691657333333	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M-3H"	-3.021828
"514830"	159.041124	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M-3H"	-3.021828
"889351"	52.3421906666667	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-3H"	-3.021828
"11208"	159.041124	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M-2H"	-2.014552
"449675"	239.065324	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M-2H"	-2.014552
"824198"	79.016924	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-2H"	-2.014552
"85281"	319.089524	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M-H"	-1.007276
"525936"	479.137924	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M-H"	-1.007276
"901551"	159.041124	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-H"	-1.007276
"50458"	336.116071	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M-2H+NH4"	16.019271
"493302"	496.164471	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M-2H+NH4"	16.019271
"871104"	176.067671	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-2H+NH4"	16.019271
"39004"	341.071466	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M-2H+Na"	20.974666
"479658"	501.119866	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M-2H+Na"	20.974666
"855271"	181.023066	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-2H+Na"	20.974666
"1630274"	181.023066	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Na-2H"	20.974666
"103528"	177.029463	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M-H+Cl"	33.962126
"541995"	257.053663	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M-H+Cl"	33.962126
"932227"	97.005263	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-H+Cl"	33.962126
"281597"	355.066202	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+Cl"	34.969402
"668674"	515.114602	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+Cl"	34.969402
"1276704"	195.017802	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Cl"	34.969402
"19263"	357.045406	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M-2H+K"	36.948606
"459913"	517.093806	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M-2H+K"	36.948606
"834799"	196.997006	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-2H+K"	36.948606
"1556832"	196.997006	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+K-2H"	36.948606
"945808"	205.046594	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-H+HCOOH"	44.998194
"366209"	365.095001	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+HCOOH-H"	44.998201
"352285"	379.110651	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+Hac-H"	59.013851
"1497839"	219.062251	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Hac-H"	59.013851
"964285"	227.028551	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-H+NaCOOH"	66.980151
"113191"	195.017802	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+2Cl"	69.938804
"552750"	275.042002	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+2Cl"	69.938804
"1022768"	114.993602	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2Cl"	69.938804
"1241493"	238.967285	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Br"	78.918885
"1317799"	241.023272	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Cl+HCOOH"	80.974872
"1329827"	263.005229	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Cl+NaCOOH"	102.956829
"920890"	273.033986	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M-H+CF3COOH"	112.985586
"1300878"	309.010664	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Cl+CF3COOH"	148.962264
"1379040"	125.035724	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H-2H2O"	-35.012676
"1397267"	143.0457	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H-H2O"	-17.0027
"296224"	321.104076	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+H"	1.007276
"686460"	481.152476	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+H"	1.007276
"1360625"	161.055676	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H"	1.007276
"138980"	161.055676	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+2H"	2.014552
"580605"	241.079876	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+2H"	2.014552
"1041509"	81.031476	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2H"	2.014552
"209772"	107.706209333333	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+3H"	3.021828
"649698"	161.055676	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+3H"	3.021828
"1168187"	54.3567426666667	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+3H"	3.021828
"431095"	338.130623	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+NH4"	18.033823
"795007"	498.179023	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+NH4"	18.033823
"1690244"	178.082223	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+NH4"	18.033823
"334880"	169.5689495	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+H+NH4"	19.041099
"726939"	249.5931495	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+H+NH4"	19.041099
"1479664"	89.5447495	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H+NH4"	19.041099
"403458"	343.086018	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+Na"	22.989218
"762272"	503.134418	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+Na"	22.989218
"1611464"	183.037618	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Na"	22.989218
"322592"	172.046647	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+H+Na"	23.996494
"718295"	252.070847	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+H+Na"	23.996494
"1474304"	92.022447	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H+Na"	23.996494
"1066457"	61.6840566666667	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2H+Na"	25.00377
"1268134"	193.081886	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+CH3OH+H"	33.033486
"389991"	359.059958	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+K"	38.963158
"750987"	519.108358	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+K"	38.963158
"1548665"	199.011558	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+K"	38.963158
"304746"	180.033617	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+H+K"	39.970434
"696437"	260.057817	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+H+K"	39.970434
"1453174"	100.009417	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H+K"	39.970434
"249438"	362.130626	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+ACN+H"	42.033826
"1224338"	202.082226	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+ACN+H"	42.033826
"1208224"	101.544751	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+ACN+2H"	43.041102
"201822"	365.06796	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+2Na-H"	44.97116
"639560"	525.11636	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+2Na-H"	44.97116
"1144885"	205.01956	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2Na-H"	44.97116
"185989"	183.037618	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+2Na"	45.978436
"624819"	263.061818	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+2Na"	45.978436
"1125043"	103.013418	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2Na"	45.978436
"1408564"	69.0113706666667	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H+2Na"	46.985712
"1435212"	207.061146	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H+HCOOH"	47.012746
"226000"	188.07064	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+3H2O+2H"	56.04448
"1515153"	221.11319	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+IsoProp+H"	61.06479
"418121"	191.024588	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+Na+K"	61.952376
"780208"	271.048788	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+Na+K"	61.952376
"1678725"	111.000388	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Na+K"	61.952376
"257229"	384.112568	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+ACN+Na"	64.015768
"1230307"	224.064168	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+ACN+Na"	64.015768
"1718098"	224.087693	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+NH4+HCOOH"	64.039293
"1184544"	76.3386846666667	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+3Na"	68.967654
"1654440"	229.043088	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Na+HCOOH"	68.994688
"160209"	397.01584	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+2K-H"	76.91904
"599886"	557.06424	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+2K-H"	76.91904
"1086221"	236.96744	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2K-H"	76.91904
"145468"	199.011558	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"2M+2K"	77.926316
"582722"	279.035758	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"3M+2K"	77.926316
"1070642"	118.987358	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2K"	77.926316
"1107134"	238.981992	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2K+H"	78.933592
"1342426"	239.069607	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+DMSO+H"	79.021207
"1014236"	243.108776	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2ACN+H"	83.060376
"1531266"	244.102408	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+IsoProp+Na+H"	84.054008
"997715"	122.058026	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+2ACN+2H"	84.067652
"1593316"	245.017028	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+K+HCOOH"	84.968628
"1420071"	275.048538	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+H+CF3COOH"	115.000138
"1156920"	142.571301	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+3ACN+2H"	125.094202
"1704283"	292.075085	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+NH4+CF3COOH"	132.026685
"1639933"	297.03048	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+Na+CF3COOH"	136.98208
"1585427"	313.00442	"C03409"	"N-Formimino-L-aspartate;N-Formimidoyl-L-aspartate"	"C5H8N2O4"	"160.0484"	"M+K+CF3COOH"	152.95602
"805951"	325.1009	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M"	0
"979483"	306.08251	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-H2O-H"	-19.01839
"72098"	215.726657333333	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M-3H"	-3.021828
"511660"	324.093624	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M-3H"	-3.021828
"889461"	107.359690666667	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-3H"	-3.021828
"3663"	324.093624	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M-2H"	-2.014552
"443224"	486.644074	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M-2H"	-2.014552
"819932"	161.543174	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-2H"	-2.014552
"81014"	649.194524	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M-H"	-1.007276
"521668"	974.295424	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M-H"	-1.007276
"896306"	324.093624	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-H"	-1.007276
"47768"	666.221071	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M-2H+NH4"	16.019271
"488064"	991.321971	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M-2H+NH4"	16.019271
"865746"	341.120171	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-2H+NH4"	16.019271
"31780"	671.176466	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M-2H+Na"	20.974666
"472234"	996.277366	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M-2H+Na"	20.974666
"849306"	346.075566	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-2H+Na"	20.974666
"1621637"	346.075566	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Na-2H"	20.974666
"99257"	342.081963	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M-H+Cl"	33.962126
"537002"	504.632413	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M-H+Cl"	33.962126
"927964"	179.531513	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-H+Cl"	33.962126
"275268"	685.171202	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+Cl"	34.969402
"663317"	1010.272102	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+Cl"	34.969402
"1273169"	360.070302	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Cl"	34.969402
"18280"	687.150406	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M-2H+K"	36.948606
"457836"	1012.251306	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M-2H+K"	36.948606
"833573"	362.049506	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-2H+K"	36.948606
"1555848"	362.049506	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+K-2H"	36.948606
"943365"	370.099094	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-H+HCOOH"	44.998194
"364133"	695.200001	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+HCOOH-H"	44.998201
"351304"	709.215651	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+Hac-H"	59.013851
"1497949"	384.114751	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Hac-H"	59.013851
"962209"	392.081051	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-H+NaCOOH"	66.980151
"113301"	360.070302	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+2Cl"	69.938804
"551038"	522.620752	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+2Cl"	69.938804
"1022757"	197.519852	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2Cl"	69.938804
"1242332"	404.019785	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Br"	78.918885
"1317181"	406.075772	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Cl+HCOOH"	80.974872
"1327751"	428.057729	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Cl+NaCOOH"	102.956829
"921000"	438.086486	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M-H+CF3COOH"	112.985586
"1300988"	474.063164	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Cl+CF3COOH"	148.962264
"1379878"	290.088224	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H-2H2O"	-35.012676
"1392271"	308.0982	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H-H2O"	-17.0027
"290867"	651.209076	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+H"	1.007276
"684383"	976.309976	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+H"	1.007276
"1361828"	326.108176	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H"	1.007276
"134716"	326.108176	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+2H"	2.014552
"580472"	488.658626	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+2H"	2.014552
"1045265"	163.557726	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2H"	2.014552
"208060"	217.741209333333	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+3H"	3.021828
"649444"	326.108176	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+3H"	3.021828
"1167933"	109.374242666667	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+3H"	3.021828
"429747"	668.235623	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+NH4"	18.033823
"792930"	993.336523	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+NH4"	18.033823
"1691448"	343.134723	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+NH4"	18.033823
"334262"	334.6214495	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+H+NH4"	19.041099
"725591"	497.1718995	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+H+NH4"	19.041099
"1479411"	172.0709995	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H+NH4"	19.041099
"400288"	673.191018	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+Na"	22.989218
"762379"	998.291918	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+Na"	22.989218
"1612667"	348.090118	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Na"	22.989218
"324888"	337.099147	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+H+Na"	23.996494
"712936"	499.649597	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+H+Na"	23.996494
"1470037"	174.548697	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H+Na"	23.996494
"1066567"	116.701556666667	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2H+Na"	25.00377
"1267151"	358.134386	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+CH3OH+H"	33.033486
"390101"	689.164958	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+K"	38.963158
"751097"	1014.265858	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+K"	38.963158
"1546588"	364.064058	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+K"	38.963158
"304856"	345.086117	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+H+K"	39.970434
"696547"	507.636567	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+H+K"	39.970434
"1452192"	182.535667	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H+K"	39.970434
"248455"	692.235626	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+ACN+H"	42.033826
"1221167"	367.134726	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+ACN+H"	42.033826
"1208333"	184.071001	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+ACN+2H"	43.041102
"200110"	695.17296	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+2Na-H"	44.97116
"638579"	1020.27386	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+2Na-H"	44.97116
"1144632"	370.07206	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2Na-H"	44.97116
"186463"	348.090118	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+2Na"	45.978436
"623835"	510.640568	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+2Na"	45.978436
"1125153"	185.539668	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2Na"	45.978436
"1405394"	124.028870666667	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H+2Na"	46.985712
"1432406"	372.113646	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H+HCOOH"	47.012746
"226108"	353.12314	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+3H2O+2H"	56.04448
"1513076"	386.16569	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+IsoProp+H"	61.06479
"417136"	356.077088	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+Na+K"	61.952376
"780318"	518.627538	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+Na+K"	61.952376
"1679564"	193.526638	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Na+K"	61.952376
"257705"	714.217568	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+ACN+Na"	64.015768
"1231511"	389.116668	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+ACN+Na"	64.015768
"1717115"	389.140193	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+NH4+HCOOH"	64.039293
"1183561"	131.356184666667	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+3Na"	68.967654
"1651512"	394.095588	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Na+HCOOH"	68.994688
"158737"	727.12084	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+2K-H"	76.91904
"599753"	1052.22174	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+2K-H"	76.91904
"1084995"	402.01994	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2K-H"	76.91904
"142662"	364.064058	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"2M+2K"	77.926316
"581507"	526.614508	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"3M+2K"	77.926316
"1068917"	201.513608	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2K"	77.926316
"1108336"	404.034492	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2K+H"	78.933592
"1342536"	404.122107	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+DMSO+H"	79.021207
"1016533"	408.161276	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2ACN+H"	83.060376
"1531377"	409.154908	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+IsoProp+Na+H"	84.054008
"997825"	204.584276	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+2ACN+2H"	84.067652
"1595613"	410.069528	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+K+HCOOH"	84.968628
"1421273"	440.101038	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+H+CF3COOH"	115.000138
"1157030"	225.097551	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+3ACN+2H"	125.094202
"1703300"	457.127585	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+NH4+CF3COOH"	132.026685
"1636763"	462.08298	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+Na+CF3COOH"	136.98208
"1585537"	478.05692	"C03410"	"N-Glycoloyl-neuraminate;N-Glycolylneuraminate;Neu5Gc"	"C11H19NO10"	"325.1009"	"M+K+CF3COOH"	152.95602
"813716"	294.1063	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M"	0
"987249"	275.08791	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-H2O-H"	-19.01839
"77679"	195.063590666667	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M-3H"	-3.021828
"515051"	293.099024	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M-3H"	-3.021828
"892852"	97.0281573333333	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-3H"	-3.021828
"9244"	293.099024	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M-2H"	-2.014552
"449898"	440.152174	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M-2H"	-2.014552
"820408"	146.045874	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-2H"	-2.014552
"80397"	587.205324	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M-H"	-1.007276
"521053"	881.311624	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M-H"	-1.007276
"898492"	293.099024	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-H"	-1.007276
"51043"	604.231871	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M-2H+NH4"	16.019271
"490604"	898.338171	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M-2H+NH4"	16.019271
"870231"	310.125571	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-2H+NH4"	16.019271
"34485"	609.187266	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M-2H+Na"	20.974666
"479880"	903.293566	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M-2H+Na"	20.974666
"857681"	315.080966	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-2H+Na"	20.974666
"1625028"	315.080966	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Na-2H"	20.974666
"97180"	311.087363	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M-H+Cl"	33.962126
"536016"	458.140513	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M-H+Cl"	33.962126
"930262"	164.034213	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-H+Cl"	33.962126
"271366"	623.182002	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+Cl"	34.969402
"663792"	917.288302	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+Cl"	34.969402
"1276926"	329.075702	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Cl"	34.969402
"24954"	625.161206	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M-2H+K"	36.948606
"463419"	919.267506	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M-2H+K"	36.948606
"836846"	331.054906	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-2H+K"	36.948606
"1557055"	331.054906	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+K-2H"	36.948606
"952593"	339.104494	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-H+HCOOH"	44.998194
"371902"	633.210801	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+HCOOH-H"	44.998201
"351414"	647.226451	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+Hac-H"	59.013851
"1500246"	353.120151	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Hac-H"	59.013851
"960132"	361.086451	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-H+NaCOOH"	66.980151
"111589"	329.075702	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+2Cl"	69.938804
"552971"	476.128852	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+2Cl"	69.938804
"1022867"	182.022552	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2Cl"	69.938804
"1244993"	373.025185	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Br"	78.918885
"1318019"	375.081172	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Cl+HCOOH"	80.974872
"1327861"	397.063129	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Cl+NaCOOH"	102.956829
"911633"	407.091886	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M-H+CF3COOH"	112.985586
"1291257"	443.068564	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Cl+CF3COOH"	148.962264
"1377072"	259.093624	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H-2H2O"	-35.012676
"1390195"	277.1036	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H-H2O"	-17.0027
"289884"	589.219876	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+H"	1.007276
"684494"	883.326176	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+H"	1.007276
"1357565"	295.113576	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H"	1.007276
"137014"	295.113576	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+2H"	2.014552
"576573"	442.166726	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+2H"	2.014552
"1046469"	148.060426	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2H"	2.014552
"208900"	197.078142666667	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+3H"	3.021828
"649556"	295.113576	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+3H"	3.021828
"1167681"	99.0427093333333	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+3H"	3.021828
"429858"	606.246423	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+NH4"	18.033823
"791949"	900.352723	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+NH4"	18.033823
"1689374"	312.140123	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+NH4"	18.033823
"331574"	303.6268495	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+H+NH4"	19.041099
"724972"	450.6799995	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+H+NH4"	19.041099
"1479523"	156.5736995	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H+NH4"	19.041099
"400398"	611.201818	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+Na"	22.989218
"764676"	905.308118	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+Na"	22.989218
"1612777"	317.095518	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Na"	22.989218
"321718"	306.104547	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+H+Na"	23.996494
"713046"	453.157697	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+H+Na"	23.996494
"1470147"	159.051397	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H+Na"	23.996494
"1066435"	106.370023333333	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2H+Na"	25.00377
"1269447"	327.139786	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+CH3OH+H"	33.033486
"385834"	627.175758	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+K"	38.963158
"753151"	921.282058	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+K"	38.963158
"1546697"	333.069458	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+K"	38.963158
"304966"	314.091517	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+H+K"	39.970434
"698480"	461.144667	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+H+K"	39.970434
"1454488"	167.038367	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H+K"	39.970434
"246378"	630.246426	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+ACN+H"	42.033826
"1225246"	336.140126	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+ACN+H"	42.033826
"1208808"	168.573701	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+ACN+2H"	43.041102
"201924"	633.18376	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+2Na-H"	44.97116
"639782"	927.29006	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+2Na-H"	44.97116
"1144013"	339.07746	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2Na-H"	44.97116
"186573"	317.095518	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+2Na"	45.978436
"624311"	464.148668	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+2Na"	45.978436
"1125628"	170.042368	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2Na"	45.978436
"1407692"	113.697337333333	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H+2Na"	46.985712
"1434339"	341.119046	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H+HCOOH"	47.012746
"224033"	322.12854	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+3H2O+2H"	56.04448
"1515374"	355.17109	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+IsoProp+H"	61.06479
"415060"	325.082488	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+Na+K"	61.952376
"782981"	472.135638	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+Na+K"	61.952376
"1680774"	178.029338	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Na+K"	61.952376
"256721"	652.228368	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+ACN+Na"	64.015768
"1229435"	358.122068	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+ACN+Na"	64.015768
"1717225"	358.145593	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+NH4+HCOOH"	64.039293
"1185857"	121.024651333333	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+3Na"	68.967654
"1653931"	363.100988	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Na+HCOOH"	68.994688
"161523"	665.13164	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+2K-H"	76.91904
"599016"	959.23794	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+2K-H"	76.91904
"1084984"	371.02534	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2K-H"	76.91904
"142772"	333.069458	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"2M+2K"	77.926316
"583306"	480.122608	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"3M+2K"	77.926316
"1069762"	186.016308	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2K"	77.926316
"1104070"	373.039892	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2K+H"	78.933592
"1342646"	373.127507	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+DMSO+H"	79.021207
"1017736"	377.166676	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2ACN+H"	83.060376
"1531487"	378.160308	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+IsoProp+Na+H"	84.054008
"996842"	189.086976	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+2ACN+2H"	84.067652
"1596816"	379.074928	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+K+HCOOH"	84.968628
"1422477"	409.106438	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+H+CF3COOH"	115.000138
"1158233"	209.600251	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+3ACN+2H"	125.094202
"1703410"	426.132985	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+NH4+CF3COOH"	132.026685
"1636873"	431.08838	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+Na+CF3COOH"	136.98208
"1585647"	447.06232	"C03411"	"N-Glycosyl-L-asparagine"	"C10H18N2O8"	"294.1063"	"M+K+CF3COOH"	152.95602
"806172"	286.2369	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M"	0
"975451"	267.21851	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-H2O-H"	-19.01839
"65762"	189.817324	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M-3H"	-3.021828
"504227"	285.229624	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M-3H"	-3.021828
"886406"	94.405024	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-3H"	-3.021828
"2063"	285.229624	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M-2H"	-2.014552
"445636"	428.348074	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M-2H"	-2.014552
"819426"	142.111174	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-2H"	-2.014552
"82697"	571.466524	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M-H"	-1.007276
"520556"	857.703424	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M-H"	-1.007276
"897628"	285.229624	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-H"	-1.007276
"52249"	588.493071	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M-2H+NH4"	16.019271
"491447"	874.729971	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M-2H+NH4"	16.019271
"870341"	302.256171	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-2H+NH4"	16.019271
"39337"	593.448466	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M-2H+Na"	20.974666
"479990"	879.685366	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M-2H+Na"	20.974666
"851597"	307.211566	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-2H+Na"	20.974666
"1625138"	307.211566	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Na-2H"	20.974666
"96931"	303.217963	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M-H+Cl"	33.962126
"537216"	446.336413	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M-H+Cl"	33.962126
"930371"	160.099513	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-H+Cl"	33.962126
"270749"	607.443202	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+Cl"	34.969402
"670103"	893.680102	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+Cl"	34.969402
"1281413"	321.206302	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Cl"	34.969402
"28344"	609.422406	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M-2H+K"	36.948606
"462435"	895.659306	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M-2H+K"	36.948606
"838053"	323.185506	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-2H+K"	36.948606
"1557287"	323.185506	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+K-2H"	36.948606
"951609"	331.235094	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-H+HCOOH"	44.998194
"361729"	617.472001	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+HCOOH-H"	44.998201
"346136"	631.487651	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+Hac-H"	59.013851
"1495983"	345.250751	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Hac-H"	59.013851
"958658"	353.217051	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-H+NaCOOH"	66.980151
"112428"	321.206302	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+2Cl"	69.938804
"555275"	464.324752	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+2Cl"	69.938804
"1028447"	178.087852	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2Cl"	69.938804
"1244743"	365.155785	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Br"	78.918885
"1311570"	367.211772	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Cl+HCOOH"	80.974872
"1319975"	389.193729	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Cl+NaCOOH"	102.956829
"913197"	399.222486	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M-H+CF3COOH"	112.985586
"1294647"	435.199164	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Cl+CF3COOH"	148.962264
"1370622"	251.224224	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H-2H2O"	-35.012676
"1383624"	269.2342	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H-H2O"	-17.0027
"285259"	573.481076	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+H"	1.007276
"681326"	859.717976	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+H"	1.007276
"1358768"	287.244176	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H"	1.007276
"127649"	287.244176	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+2H"	2.014552
"570126"	430.362626	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+2H"	2.014552
"1037585"	144.125726	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2H"	2.014552
"205121"	191.831876	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+3H"	3.021828
"645289"	287.244176	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+3H"	3.021828
"1164507"	96.419576	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+3H"	3.021828
"425230"	590.507623	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+NH4"	18.033823
"787321"	876.744523	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+NH4"	18.033823
"1682559"	304.270723	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+NH4"	18.033823
"330953"	295.7574495	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+H+NH4"	19.041099
"726906"	438.8758995	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+H+NH4"	19.041099
"1480734"	152.6389995	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H+NH4"	19.041099
"403791"	595.463018	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+Na"	22.989218
"763692"	881.699918	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+Na"	22.989218
"1611790"	309.226118	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Na"	22.989218
"319638"	298.235147	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+H+Na"	23.996494
"707927"	441.353597	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+H+Na"	23.996494
"1471353"	155.116697	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H+Na"	23.996494
"1064598"	103.74689	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2H+Na"	25.00377
"1264089"	319.270386	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+CH3OH+H"	33.033486
"390323"	611.436958	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+K"	38.963158
"748036"	897.673858	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+K"	38.963158
"1545713"	325.200058	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+K"	38.963158
"302885"	306.222117	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+H+K"	39.970434
"699683"	449.340567	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+H+K"	39.970434
"1460078"	163.103667	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H+K"	39.970434
"250380"	614.507626	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+ACN+H"	42.033826
"1224302"	328.270726	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+ACN+H"	42.033826
"1207460"	164.639001	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+ACN+2H"	43.041102
"201789"	617.44496	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+2Na-H"	44.97116
"638793"	903.68186	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+2Na-H"	44.97116
"1142298"	331.20806	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2Na-H"	44.97116
"181213"	309.226118	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+2Na"	45.978436
"624421"	452.344568	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+2Na"	45.978436
"1124279"	166.107668	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2Na"	45.978436
"1400146"	111.074204	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H+2Na"	46.985712
"1432622"	333.249646	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H+HCOOH"	47.012746
"224142"	314.25914	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+3H2O+2H"	56.04448
"1512203"	347.30169	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+IsoProp+H"	61.06479
"414076"	317.213088	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+Na+K"	61.952376
"780538"	460.331538	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+Na+K"	61.952376
"1670309"	174.094638	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Na+K"	61.952376
"259753"	636.489568	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+ACN+Na"	64.015768
"1229179"	350.252668	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+ACN+Na"	64.015768
"1717699"	350.276193	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+NH4+HCOOH"	64.039293
"1185603"	118.401518	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+3Na"	68.967654
"1652587"	355.231588	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Na+HCOOH"	68.994688
"159444"	649.39284	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+2K-H"	76.91904
"597707"	935.62974	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+2K-H"	76.91904
"1084850"	363.15594	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2K-H"	76.91904
"141870"	325.200058	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"2M+2K"	77.926316
"583417"	468.318508	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"3M+2K"	77.926316
"1073159"	182.081608	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2K"	77.926316
"1104182"	365.170492	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2K+H"	78.933592
"1342760"	365.258107	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+DMSO+H"	79.021207
"1012381"	369.297276	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2ACN+H"	83.060376
"1531599"	370.290908	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+IsoProp+Na+H"	84.054008
"1000238"	185.152276	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+2ACN+2H"	84.067652
"1594739"	371.205528	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+K+HCOOH"	84.968628
"1424773"	401.237038	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+H+CF3COOH"	115.000138
"1156157"	205.665551	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+3ACN+2H"	125.094202
"1704614"	418.263585	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+NH4+CF3COOH"	132.026685
"1644640"	423.21898	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+Na+CF3COOH"	136.98208
"1585758"	439.19292	"C03413"	"N1N12-Diacetylspermine"	"C14H30N4O2"	"286.2369"	"M+K+CF3COOH"	152.95602
"806282"	290.0903	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M"	0
"975804"	271.07191	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-H2O-H"	-19.01839
"65872"	192.386257333333	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M-3H"	-3.021828
"507617"	289.083024	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M-3H"	-3.021828
"891983"	95.6894906666667	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-3H"	-3.021828
"10557"	289.083024	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M-2H"	-2.014552
"446836"	434.128174	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M-2H"	-2.014552
"819536"	144.037874	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-2H"	-2.014552
"85725"	579.173324	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M-H"	-1.007276
"526378"	869.263624	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M-H"	-1.007276
"904180"	289.083024	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-H"	-1.007276
"56368"	596.199871	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M-2H+NH4"	16.019271
"493744"	886.290171	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M-2H+NH4"	16.019271
"870451"	306.109571	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-2H+NH4"	16.019271
"42727"	601.155266	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M-2H+Na"	20.974666
"482288"	891.245566	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M-2H+Na"	20.974666
"851344"	311.064966	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-2H+Na"	20.974666
"1625249"	311.064966	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Na-2H"	20.974666
"97765"	307.071363	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M-H+Cl"	33.962126
"536964"	452.116513	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M-H+Cl"	33.962126
"935947"	162.026213	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-H+Cl"	33.962126
"274504"	615.150002	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+Cl"	34.969402
"661827"	905.240302	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+Cl"	34.969402
"1280429"	325.059702	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Cl"	34.969402
"18610"	617.129206	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M-2H+K"	36.948606
"456833"	907.219506	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M-2H+K"	36.948606
"838163"	327.038906	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-2H+K"	36.948606
"1560555"	327.038906	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+K-2H"	36.948606
"952812"	335.088494	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-H+HCOOH"	44.998194
"363744"	625.178801	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+HCOOH-H"	44.998201
"347627"	639.194451	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+Hac-H"	59.013851
"1495729"	349.104151	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Hac-H"	59.013851
"960838"	357.070451	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-H+NaCOOH"	66.980151
"112539"	325.059702	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+2Cl"	69.938804
"552831"	470.104852	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+2Cl"	69.938804
"1026371"	180.014552	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2Cl"	69.938804
"1248135"	369.009185	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Br"	78.918885
"1306213"	371.065172	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Cl+HCOOH"	80.974872
"1323705"	393.047129	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Cl+NaCOOH"	102.956829
"915493"	403.075886	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M-H+CF3COOH"	112.985586
"1289775"	439.052564	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Cl+CF3COOH"	148.962264
"1370731"	255.077624	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H-2H2O"	-35.012676
"1390416"	273.0876	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H-H2O"	-17.0027
"284756"	581.187876	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+H"	1.007276
"678883"	871.278176	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+H"	1.007276
"1359971"	291.097576	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H"	1.007276
"127756"	291.097576	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+2H"	2.014552
"568048"	436.142726	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+2H"	2.014552
"1038665"	146.052426	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2H"	2.014552
"206566"	194.400809333333	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+3H"	3.021828
"646492"	291.097576	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+3H"	3.021828
"1167898"	97.7040426666667	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+3H"	3.021828
"426069"	598.214423	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+NH4"	18.033823
"787794"	888.304723	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+NH4"	18.033823
"1683033"	308.124123	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+NH4"	18.033823
"331673"	299.6108495	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+H+NH4"	19.041099
"726291"	444.6559995	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+H+NH4"	19.041099
"1483031"	154.5656995	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H+NH4"	19.041099
"403901"	603.169818	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+Na"	22.989218
"765625"	893.260118	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+Na"	22.989218
"1612995"	313.079518	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Na"	22.989218
"323029"	302.088547	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+H+Na"	23.996494
"713263"	447.133697	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+H+Na"	23.996494
"1461858"	157.043397	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H+Na"	23.996494
"1066897"	105.031356666667	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2H+Na"	25.00377
"1264199"	323.123786	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+CH3OH+H"	33.033486
"390435"	619.143758	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+K"	38.963158
"753129"	909.234058	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+K"	38.963158
"1545096"	329.053458	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+K"	38.963158
"308465"	310.075517	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+H+K"	39.970434
"698702"	455.120667	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+H+K"	39.970434
"1458000"	165.030367	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H+K"	39.970434
"249516"	622.214426	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+ACN+H"	42.033826
"1222228"	332.124126	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+ACN+H"	42.033826
"1207205"	166.565701	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+ACN+2H"	43.041102
"200078"	625.15176	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+2Na-H"	44.97116
"638903"	915.24206	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+2Na-H"	44.97116
"1140221"	335.06146	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2Na-H"	44.97116
"176221"	313.079518	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+2Na"	45.978436
"621250"	458.124668	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+2Na"	45.978436
"1122204"	168.034368	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2Na"	45.978436
"1402078"	112.358670666667	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H+2Na"	46.985712
"1434559"	337.103046	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H+HCOOH"	47.012746
"225343"	318.11254	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+3H2O+2H"	56.04448
"1512312"	351.15509	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+IsoProp+H"	61.06479
"414185"	321.066488	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+Na+K"	61.952376
"777367"	466.111638	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+Na+K"	61.952376
"1670058"	176.021338	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Na+K"	61.952376
"258043"	644.196368	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+ACN+Na"	64.015768
"1234395"	354.106068	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+ACN+Na"	64.015768
"1717448"	354.129593	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+NH4+HCOOH"	64.039293
"1180979"	119.685984666667	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+3Na"	68.967654
"1652331"	359.084988	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Na+HCOOH"	68.994688
"159556"	657.09964	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+2K-H"	76.91904
"598507"	947.18994	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+2K-H"	76.91904
"1085203"	367.00934	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2K-H"	76.91904
"145183"	329.053458	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"2M+2K"	77.926316
"583649"	474.098608	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"3M+2K"	77.926316
"1072176"	184.008308	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2K"	77.926316
"1103199"	369.023892	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2K+H"	78.933592
"1342870"	369.111507	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+DMSO+H"	79.021207
"1011399"	373.150676	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2ACN+H"	83.060376
"1532803"	374.144308	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+IsoProp+Na+H"	84.054008
"1003629"	187.078976	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+2ACN+2H"	84.067652
"1594851"	375.058928	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+K+HCOOH"	84.968628
"1422696"	405.090438	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+H+CF3COOH"	115.000138
"1156267"	207.592251	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+3ACN+2H"	125.094202
"1704724"	422.116985	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+NH4+CF3COOH"	132.026685
"1648030"	427.07238	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+Na+CF3COOH"	136.98208
"1585868"	443.04632	"C03414"	"N2-Malonyl-D-tryptophan"	"C14H14N2O5"	"290.0903"	"M+K+CF3COOH"	152.95602
"806392"	232.1059	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M"	0
"974300"	213.08751	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-H2O-H"	-19.01839
"63306"	153.729990666667	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M-3H"	-3.021828
"506633"	231.098624	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M-3H"	-3.021828
"880426"	76.3613573333333	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-3H"	-3.021828
"4103"	231.098624	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M-2H"	-2.014552
"442573"	347.151574	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M-2H"	-2.014552
"819283"	115.045674	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-2H"	-2.014552
"83649"	463.204524	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M-H"	-1.007276
"522115"	695.310424	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M-H"	-1.007276
"896998"	231.098624	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-H"	-1.007276
"52105"	480.231071	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M-2H+NH4"	16.019271
"490574"	712.336971	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M-2H+NH4"	16.019271
"868374"	248.125171	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-2H+NH4"	16.019271
"39557"	485.186466	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M-2H+Na"	20.974666
"480211"	717.292366	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M-2H+Na"	20.974666
"851454"	253.080566	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-2H+Na"	20.974666
"1625359"	253.080566	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Na-2H"	20.974666
"96782"	249.086963	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M-H+Cl"	33.962126
"537801"	365.139913	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M-H+Cl"	33.962126
"936057"	133.034013	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-H+Cl"	33.962126
"278988"	499.181202	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+Cl"	34.969402
"661937"	731.287102	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+Cl"	34.969402
"1278352"	267.075302	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Cl"	34.969402
"17627"	501.160406	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M-2H+K"	36.948606
"456820"	733.266306	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M-2H+K"	36.948606
"838273"	269.054506	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-2H+K"	36.948606
"1559572"	269.054506	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+K-2H"	36.948606
"945267"	277.104094	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-H+HCOOH"	44.998194
"365677"	509.210001	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+HCOOH-H"	44.998201
"349924"	523.225651	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+Hac-H"	59.013851
"1497662"	291.119751	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Hac-H"	59.013851
"961556"	299.086051	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-H+NaCOOH"	66.980151
"111190"	267.075302	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+2Cl"	69.938804
"551849"	383.128252	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+2Cl"	69.938804
"1026481"	151.022352	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2Cl"	69.938804
"1248245"	311.024785	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Br"	78.918885
"1308510"	313.080772	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Cl+HCOOH"	80.974872
"1323816"	335.062729	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Cl+NaCOOH"	102.956829
"914146"	345.091486	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M-H+CF3COOH"	112.985586
"1289035"	381.068164	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Cl+CF3COOH"	148.962264
"1370841"	197.093224	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H-2H2O"	-35.012676
"1386148"	215.1032	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H-H2O"	-17.0027
"285835"	465.219076	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+H"	1.007276
"679721"	697.324976	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+H"	1.007276
"1351356"	233.113176	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H"	1.007276
"130783"	233.113176	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+2H"	2.014552
"566700"	349.166126	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+2H"	2.014552
"1037678"	117.060226	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2H"	2.014552
"205218"	155.744542666667	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+3H"	3.021828
"645872"	233.113176	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+3H"	3.021828
"1164362"	78.3759093333333	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+3H"	3.021828
"426178"	482.245623	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+NH4"	18.033823
"787175"	714.351523	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+NH4"	18.033823
"1682778"	250.139723	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+NH4"	18.033823
"330365"	241.6264495	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+H+NH4"	19.041099
"726036"	357.6793995	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+H+NH4"	19.041099
"1480955"	125.5734995	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H+NH4"	19.041099
"405833"	487.201018	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+Na"	22.989218
"767921"	719.306918	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+Na"	22.989218
"1614197"	255.095118	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Na"	22.989218
"323139"	244.104147	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+H+Na"	23.996494
"716653"	360.157097	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+H+Na"	23.996494
"1462815"	128.051197	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H+Na"	23.996494
"1053631"	85.7032233333333	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2H+Na"	25.00377
"1264309"	265.139386	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+CH3OH+H"	33.033486
"392810"	503.174958	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+K"	38.963158
"752267"	735.280858	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+K"	38.963158
"1550309"	271.069058	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+K"	38.963158
"305298"	252.091117	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+H+K"	39.970434
"697719"	368.144067	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+H+K"	39.970434
"1459203"	136.038167	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H+K"	39.970434
"249989"	506.245626	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+ACN+H"	42.033826
"1224284"	274.139726	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+ACN+H"	42.033826
"1209625"	137.573501	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+ACN+2H"	43.041102
"202133"	509.18296	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+2Na-H"	44.97116
"639013"	741.28886	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+2Na-H"	44.97116
"1140331"	277.07706	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2Na-H"	44.97116
"178153"	255.095118	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+2Na"	45.978436
"622088"	371.148068	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+2Na"	45.978436
"1123407"	139.042168	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2Na"	45.978436
"1401459"	93.0305373333333	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H+2Na"	46.985712
"1431752"	279.118646	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H+HCOOH"	47.012746
"224359"	260.12814	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+3H2O+2H"	56.04448
"1511692"	293.17069	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+IsoProp+H"	61.06479
"413202"	263.082088	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+Na+K"	61.952376
"776384"	379.135038	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+Na+K"	61.952376
"1669439"	147.029138	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Na+K"	61.952376
"258153"	528.227568	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+ACN+Na"	64.015768
"1233047"	296.121668	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+ACN+Na"	64.015768
"1717558"	296.145193	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+NH4+HCOOH"	64.039293
"1181818"	100.357851333333	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+3Na"	68.967654
"1652807"	301.100588	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Na+HCOOH"	68.994688
"159179"	541.13084	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+2K-H"	76.91904
"598374"	773.23674	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+2K-H"	76.91904
"1085922"	309.02494	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2K-H"	76.91904
"144928"	271.069058	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"2M+2K"	77.926316
"582298"	387.122008	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"3M+2K"	77.926316
"1074472"	155.016108	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2K"	77.926316
"1104402"	311.039492	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2K+H"	78.933592
"1341887"	311.127107	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+DMSO+H"	79.021207
"1009323"	315.166276	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2ACN+H"	83.060376
"1532913"	316.159908	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+IsoProp+Na+H"	84.054008
"1004712"	158.086776	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+2ACN+2H"	84.067652
"1594961"	317.074528	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+K+HCOOH"	84.968628
"1421713"	347.106038	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+H+CF3COOH"	115.000138
"1156377"	178.600051	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+3ACN+2H"	125.094202
"1704834"	364.132585	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+NH4+CF3COOH"	132.026685
"1644860"	369.08798	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+Na+CF3COOH"	136.98208
"1585978"	385.06192	"C03415"	"N2-Succinyl-L-ornithine;(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid"	"C9H16N2O5"	"232.1059"	"M+K+CF3COOH"	152.95602
"806502"	295.1281	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M"	0
"974567"	276.10971	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-H2O-H"	-19.01839
"63904"	195.744790666667	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M-3H"	-3.021828
"510024"	294.120824	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M-3H"	-3.021828
"880172"	97.3687573333333	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-3H"	-3.021828
"2025"	294.120824	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M-2H"	-2.014552
"441582"	441.684874	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M-2H"	-2.014552
"819393"	146.556774	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-2H"	-2.014552
"83759"	589.248924	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M-H"	-1.007276
"520765"	884.377024	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M-H"	-1.007276
"897836"	294.120824	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-H"	-1.007276
"50756"	606.275471	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M-2H+NH4"	16.019271
"491776"	901.403571	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M-2H+NH4"	16.019271
"871766"	311.147371	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-2H+NH4"	16.019271
"36751"	611.230866	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M-2H+Na"	20.974666
"473392"	906.358966	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M-2H+Na"	20.974666
"850103"	316.102766	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-2H+Na"	20.974666
"1622553"	316.102766	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Na-2H"	20.974666
"96530"	312.109163	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M-H+Cl"	33.962126
"536455"	459.673213	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M-H+Cl"	33.962126
"936167"	164.545113	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-H+Cl"	33.962126
"275817"	625.225602	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+Cl"	34.969402
"661683"	920.353702	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+Cl"	34.969402
"1278462"	330.097502	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Cl"	34.969402
"17737"	627.204806	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M-2H+K"	36.948606
"458392"	922.332906	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M-2H+K"	36.948606
"835101"	332.076706	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-2H+K"	36.948606
"1559682"	332.076706	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+K-2H"	36.948606
"944284"	340.126294	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-H+HCOOH"	44.998194
"364695"	635.254401	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+HCOOH-H"	44.998201
"347847"	649.270051	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+Hac-H"	59.013851
"1494856"	354.141951	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Hac-H"	59.013851
"961666"	362.108251	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-H+NaCOOH"	66.980151
"111302"	330.097502	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+2Cl"	69.938804
"553419"	477.661552	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+2Cl"	69.938804
"1025497"	182.533452	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2Cl"	69.938804
"1247262"	374.046985	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Br"	78.918885
"1306433"	376.102972	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Cl+HCOOH"	80.974872
"1322832"	398.084929	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Cl+NaCOOH"	102.956829
"913527"	408.113686	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M-H+CF3COOH"	112.985586
"1289872"	444.090364	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Cl+CF3COOH"	148.962264
"1374228"	260.115424	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H-2H2O"	-35.012676
"1385163"	278.1254	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H-H2O"	-17.0027
"283760"	591.263476	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+H"	1.007276
"678373"	886.391576	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+H"	1.007276
"1358003"	296.135376	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H"	1.007276
"130893"	296.135376	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+2H"	2.014552
"568999"	443.699426	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+2H"	2.014552
"1038281"	148.571326	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2H"	2.014552
"205086"	197.759342666667	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+3H"	3.021828
"645376"	296.135376	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+3H"	3.021828
"1163378"	99.3833093333333	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+3H"	3.021828
"426288"	608.290023	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+NH4"	18.033823
"787286"	903.418123	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+NH4"	18.033823
"1683621"	313.161923	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+NH4"	18.033823
"330113"	304.6486495	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+H+NH4"	19.041099
"726147"	452.2126995	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+H+NH4"	19.041099
"1478877"	157.0845995	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H+NH4"	19.041099
"406307"	613.245418	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+Na"	22.989218
"765115"	908.373518	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+Na"	22.989218
"1612120"	318.117318	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Na"	22.989218
"322156"	307.126347	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+H+Na"	23.996494
"710202"	454.690397	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+H+Na"	23.996494
"1462442"	159.562297	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H+Na"	23.996494
"1054711"	106.710623333333	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2H+Na"	25.00377
"1264419"	328.161586	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+CH3OH+H"	33.033486
"392359"	629.219358	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+K"	38.963158
"753106"	924.347458	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+K"	38.963158
"1550419"	334.091258	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+K"	38.963158
"305408"	315.113317	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+H+K"	39.970434
"696736"	462.677367	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+H+K"	39.970434
"1457125"	167.549267	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H+K"	39.970434
"250099"	632.290026	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+ACN+H"	42.033826
"1221715"	337.161926	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+ACN+H"	42.033826
"1208761"	169.084601	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+ACN+2H"	43.041102
"203208"	635.22736	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+2Na-H"	44.97116
"640217"	930.35546	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+2Na-H"	44.97116
"1142628"	340.09926	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2Na-H"	44.97116
"176076"	318.117318	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+2Na"	45.978436
"621104"	465.681368	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+2Na"	45.978436
"1123517"	170.553268	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2Na"	45.978436
"1399626"	114.037937333333	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H+2Na"	46.985712
"1431011"	342.140846	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H+HCOOH"	47.012746
"221918"	323.15034	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+3H2O+2H"	56.04448
"1512530"	356.19289	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+IsoProp+H"	61.06479
"414406"	326.104288	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+Na+K"	61.952376
"775401"	473.668338	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+Na+K"	61.952376
"1670637"	178.540238	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Na+K"	61.952376
"257167"	654.271968	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+ACN+Na"	64.015768
"1229877"	359.143868	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+ACN+Na"	64.015768
"1714021"	359.167393	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+NH4+HCOOH"	64.039293
"1180104"	121.365251333333	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+3Na"	68.967654
"1654375"	364.122788	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Na+HCOOH"	68.994688
"159410"	667.17524	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+2K-H"	76.91904
"597111"	962.30334	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+2K-H"	76.91904
"1086033"	372.04714	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2K-H"	76.91904
"143216"	334.091258	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"2M+2K"	77.926316
"583140"	481.655308	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"3M+2K"	77.926316
"1072396"	186.527208	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2K"	77.926316
"1103419"	374.061692	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2K+H"	78.933592
"1344184"	374.149307	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+DMSO+H"	79.021207
"1011620"	378.188476	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2ACN+H"	83.060376
"1529744"	379.182108	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+IsoProp+Na+H"	84.054008
"1004822"	189.597876	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+2ACN+2H"	84.067652
"1596164"	380.096728	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+K+HCOOH"	84.968628
"1421823"	410.128238	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+H+CF3COOH"	115.000138
"1156487"	210.111151	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+3ACN+2H"	125.094202
"1704944"	427.154785	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+NH4+CF3COOH"	132.026685
"1644970"	432.11018	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+Na+CF3COOH"	136.98208
"1586088"	448.08412	"C03416"	"N6N6-Dimethyladenosine"	"C12H17N5O4"	"295.1281"	"M+K+CF3COOH"	152.95602
"806612"	219.0968	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M"	0
"976864"	200.07841	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-H2O-H"	-19.01839
"63649"	145.057257333333	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M-3H"	-3.021828
"507947"	218.089524	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M-3H"	-3.021828
"880197"	72.0249906666667	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-3H"	-3.021828
"717"	218.089524	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M-2H"	-2.014552
"441693"	327.637924	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M-2H"	-2.014552
"819503"	108.541124	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-2H"	-2.014552
"84962"	437.186324	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M-H"	-1.007276
"521603"	656.283124	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M-H"	-1.007276
"897947"	218.089524	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-H"	-1.007276
"50866"	454.212871	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M-2H+NH4"	16.019271
"494074"	673.309671	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M-2H+NH4"	16.019271
"871876"	235.116071	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-2H+NH4"	16.019271
"39777"	459.168266	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M-2H+Na"	20.974666
"474231"	678.265066	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M-2H+Na"	20.974666
"854953"	240.071466	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-2H+Na"	20.974666
"1625579"	240.071466	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Na-2H"	20.974666
"97004"	236.077863	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M-H+Cl"	33.962126
"539483"	345.626263	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M-H+Cl"	33.962126
"937369"	126.529463	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-H+Cl"	33.962126
"269729"	473.163002	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+Cl"	34.969402
"660576"	692.259802	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+Cl"	34.969402
"1278572"	254.066202	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Cl"	34.969402
"17847"	475.142206	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M-2H+K"	36.948606
"457409"	694.239006	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M-2H+K"	36.948606
"834118"	256.045406	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-2H+K"	36.948606
"1559792"	256.045406	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+K-2H"	36.948606
"949862"	264.094994	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-H+HCOOH"	44.998194
"366991"	483.191801	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+HCOOH-H"	44.998201
"349780"	497.207451	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+Hac-H"	59.013851
"1494966"	278.110651	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Hac-H"	59.013851
"962139"	286.076951	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-H+NaCOOH"	66.980151
"111776"	254.066202	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+2Cl"	69.938804
"554622"	363.614602	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+2Cl"	69.938804
"1025607"	144.517802	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2Cl"	69.938804
"1246279"	298.015685	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Br"	78.918885
"1308730"	300.071672	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Cl+HCOOH"	80.974872
"1320392"	322.053629	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Cl+NaCOOH"	102.956829
"912179"	332.082386	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M-H+CF3COOH"	112.985586
"1291803"	368.059064	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Cl+CF3COOH"	148.962264
"1367781"	184.084124	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H-2H2O"	-35.012676
"1383128"	202.0941	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H-H2O"	-17.0027
"284597"	439.200876	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+H"	1.007276
"677755"	658.297676	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+H"	1.007276
"1353376"	220.104076	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H"	1.007276
"131003"	220.104076	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+2H"	2.014552
"569472"	329.652476	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+2H"	2.014552
"1038753"	110.555676	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2H"	2.014552
"205805"	147.071809333333	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+3H"	3.021828
"645729"	220.104076	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+3H"	3.021828
"1164218"	74.0395426666667	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+3H"	3.021828
"427127"	456.227423	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+NH4"	18.033823
"787760"	675.324223	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+NH4"	18.033823
"1682639"	237.130623	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+NH4"	18.033823
"330910"	228.6173495	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+H+NH4"	19.041099
"725162"	338.1657495	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+H+NH4"	19.041099
"1478988"	119.0689495	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H+NH4"	19.041099
"404960"	461.182818	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+Na"	22.989218
"761945"	680.279618	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+Na"	22.989218
"1612230"	242.086018	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Na"	22.989218
"320080"	231.095047	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+H+Na"	23.996494
"709219"	340.643447	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+H+Na"	23.996494
"1462431"	121.546647	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H+Na"	23.996494
"1053030"	81.3668566666667	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2H+Na"	25.00377
"1265622"	252.130286	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+CH3OH+H"	33.033486
"392786"	477.156758	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+K"	38.963158
"753459"	696.253558	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+K"	38.963158
"1549071"	258.059958	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+K"	38.963158
"306610"	239.082017	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+H+K"	39.970434
"697939"	348.630417	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+H+K"	39.970434
"1460150"	129.533617	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H+K"	39.970434
"249116"	480.227426	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+ACN+H"	42.033826
"1222918"	261.130626	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+ACN+H"	42.033826
"1207901"	131.068951	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+ACN+2H"	43.041102
"203198"	483.16476	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+2Na-H"	44.97116
"641785"	702.26156	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+2Na-H"	44.97116
"1142738"	264.06796	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2Na-H"	44.97116
"177279"	242.086018	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+2Na"	45.978436
"621214"	351.634418	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+2Na"	45.978436
"1125813"	132.537618	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2Na"	45.978436
"1401681"	88.6941706666667	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H+2Na"	46.985712
"1431609"	266.109546	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H+HCOOH"	47.012746
"222272"	247.11904	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+3H2O+2H"	56.04448
"1512276"	280.16159	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+IsoProp+H"	61.06479
"413423"	250.072988	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+Na+K"	61.952376
"775510"	359.621388	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+Na+K"	61.952376
"1670748"	140.524588	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Na+K"	61.952376
"257277"	502.209368	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+ACN+Na"	64.015768
"1228892"	283.112568	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+ACN+Na"	64.015768
"1714856"	283.136093	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+NH4+HCOOH"	64.039293
"1180211"	96.0214846666667	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+3Na"	68.967654
"1651931"	288.091488	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Na+HCOOH"	68.994688
"157493"	515.11264	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+2K-H"	76.91904
"597379"	734.20944	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+2K-H"	76.91904
"1084521"	296.01584	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2K-H"	76.91904
"143326"	258.059958	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"2M+2K"	77.926316
"582638"	367.608358	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"3M+2K"	77.926316
"1070683"	148.511558	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2K"	77.926316
"1100113"	298.030392	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2K+H"	78.933592
"1343201"	298.118007	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+DMSO+H"	79.021207
"1010637"	302.157176	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2ACN+H"	83.060376
"1530947"	303.150808	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+IsoProp+Na+H"	84.054008
"1003960"	151.582226	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+2ACN+2H"	84.067652
"1601744"	304.065428	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+K+HCOOH"	84.968628
"1426310"	334.096938	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+H+CF3COOH"	115.000138
"1156597"	172.095501	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+3ACN+2H"	125.094202
"1703961"	351.123485	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+NH4+CF3COOH"	132.026685
"1645080"	356.07888	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+Na+CF3COOH"	136.98208
"1586198"	372.05282	"C03417"	"N(omega)-Nitro-L-arginine;N(G)-Nitro-L-arginine"	"C6H13N5O4"	"219.0968"	"M+K+CF3COOH"	152.95602
"810006"	381.1648	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M"	0
"983540"	362.14641	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H2O-H"	-19.01839
"67408"	253.102590666667	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-3H"	-3.021828
"511342"	380.157524	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-3H"	-3.021828
"891332"	126.047657333333	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-3H"	-3.021828
"8815"	380.157524	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H"	-2.014552
"451656"	570.739924	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H"	-2.014552
"828369"	189.575124	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H"	-2.014552
"87267"	761.322324	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-H"	-1.007276
"527919"	1142.487124	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-H"	-1.007276
"906816"	380.157524	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H"	-1.007276
"57909"	778.348871	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+NH4"	16.019271
"493095"	1159.513671	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+NH4"	16.019271
"865181"	397.184071	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+NH4"	16.019271
"34785"	783.304266	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+Na"	20.974666
"472155"	1164.469066	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+Na"	20.974666
"849833"	402.139466	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+Na"	20.974666
"1619127"	402.139466	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na-2H"	20.974666
"95664"	398.145863	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-H+Cl"	33.962126
"545798"	588.728263	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-H+Cl"	33.962126
"936398"	207.563463	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+Cl"	33.962126
"279693"	797.299002	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Cl"	34.969402
"666285"	1178.463802	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Cl"	34.969402
"1273342"	416.134202	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl"	34.969402
"19056"	799.278206	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+K"	36.948606
"462990"	1180.443006	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+K"	36.948606
"839702"	418.113406	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+K"	36.948606
"1559910"	418.113406	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K-2H"	36.948606
"945971"	426.162994	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+HCOOH"	44.998194
"364186"	807.327801	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+HCOOH-H"	44.998201
"349527"	821.343451	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Hac-H"	59.013851
"1496173"	440.178651	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Hac-H"	59.013851
"964080"	448.144951	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+NaCOOH"	66.980151
"111528"	416.134202	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Cl"	69.938804
"550357"	606.716602	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Cl"	69.938804
"1023168"	225.551802	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Cl"	69.938804
"1242383"	460.083685	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Br"	78.918885
"1304826"	462.139672	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+HCOOH"	80.974872
"1320623"	484.121629	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+NaCOOH"	102.956829
"911761"	494.150386	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+CF3COOH"	112.985586
"1289735"	530.127064	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+CF3COOH"	148.962264
"1369358"	346.152124	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H-2H2O"	-35.012676
"1383208"	364.1621	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H-H2O"	-17.0027
"283139"	763.336876	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H"	1.007276
"678600"	1144.501676	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H"	1.007276
"1353126"	382.172076	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H"	1.007276
"127349"	382.172076	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2H"	2.014552
"567397"	572.754476	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2H"	2.014552
"1038383"	191.589676	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2H"	2.014552
"205434"	255.117142666667	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+3H"	3.021828
"645721"	382.172076	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+3H"	3.021828
"1163245"	128.062209333333	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+3H"	3.021828
"424695"	780.363423	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+NH4"	18.033823
"786178"	1161.528223	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+NH4"	18.033823
"1686765"	399.198623	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4"	18.033823
"342700"	390.6853495	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+NH4"	19.041099
"735124"	581.2677495	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+NH4"	19.041099
"1483474"	200.1029495	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+NH4"	19.041099
"398873"	785.318818	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Na"	22.989218
"765337"	1166.483618	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Na"	22.989218
"1610153"	404.154018	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na"	22.989218
"318003"	393.163047	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+Na"	23.996494
"722591"	583.745447	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+Na"	23.996494
"1475924"	202.580647	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+Na"	23.996494
"1067832"	135.389523333333	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2H+Na"	25.00377
"1271456"	414.198286	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+CH3OH+H"	33.033486
"391364"	801.292758	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+K"	38.963158
"751506"	1182.457558	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+K"	38.963158
"1551748"	420.127958	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K"	38.963158
"311837"	401.150017	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+K"	39.970434
"703531"	591.732417	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+K"	39.970434
"1459537"	210.567617	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+K"	39.970434
"247045"	804.363426	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+ACN+H"	42.033826
"1222669"	423.198626	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+H"	42.033826
"1206554"	212.102951	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+2H"	43.041102
"199790"	807.30076	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Na-H"	44.97116
"638985"	1188.46556	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Na-H"	44.97116
"1139575"	426.13596	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Na-H"	44.97116
"183594"	404.154018	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Na"	45.978436
"623150"	594.736418	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Na"	45.978436
"1121551"	213.571618	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Na"	45.978436
"1403980"	142.716837333333	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+2Na"	46.985712
"1431720"	428.177546	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+HCOOH"	47.012746
"222505"	409.18704	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+3H2O+2H"	56.04448
"1516047"	442.22959	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+IsoProp+H"	61.06479
"408584"	412.140988	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Na+K"	61.952376
"770285"	602.723388	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Na+K"	61.952376
"1665582"	221.558588	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+K"	61.952376
"251570"	826.345368	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+ACN+Na"	64.015768
"1228645"	445.180568	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+Na"	64.015768
"1713397"	445.204093	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4+HCOOH"	64.039293
"1180089"	150.044151333333	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+3Na"	68.967654
"1652046"	450.159488	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+HCOOH"	68.994688
"158545"	839.24864	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2K-H"	76.91904
"603940"	1220.41344	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2K-H"	76.91904
"1089547"	458.08384	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K-H"	76.91904
"146362"	420.127958	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2K"	77.926316
"594674"	610.710358	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2K"	77.926316
"1081377"	229.545558	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K"	77.926316
"1111303"	460.098392	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K+H"	78.933592
"1349880"	460.186007	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+DMSO+H"	79.021207
"1018408"	464.225176	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2ACN+H"	83.060376
"1538726"	465.218808	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+IsoProp+Na+H"	84.054008
"1001888"	232.616226	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2ACN+2H"	84.067652
"1598578"	466.133428	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K+HCOOH"	84.968628
"1427517"	496.164938	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+CF3COOH"	115.000138
"1159630"	253.129501	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+3ACN+2H"	125.094202
"1710640"	513.191485	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4+CF3COOH"	132.026685
"1648839"	518.14688	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+CF3COOH"	136.98208
"1586311"	534.12082	"C03423"	"O-beta-D-Glucosylzeatin;O-beta-D-Glucosyl-trans-zeatin;trans-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K+CF3COOH"	152.95602
"813397"	296.2715	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M"	0
"986931"	277.25311	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-H2O-H"	-19.01839
"66425"	196.507057333333	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M-3H"	-3.021828
"507077"	295.264224	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M-3H"	-3.021828
"893631"	97.7498906666667	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-3H"	-3.021828
"8925"	295.264224	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M-2H"	-2.014552
"444111"	443.399974	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M-2H"	-2.014552
"831760"	147.128474	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-2H"	-2.014552
"89564"	591.535724	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M-H"	-1.007276
"528029"	887.807224	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M-H"	-1.007276
"906925"	295.264224	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-H"	-1.007276
"56925"	608.562271	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M-2H+NH4"	16.019271
"491018"	904.833771	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M-2H+NH4"	16.019271
"866992"	312.290771	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-2H+NH4"	16.019271
"34164"	613.517666	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M-2H+Na"	20.974666
"472505"	909.789166	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M-2H+Na"	20.974666
"850065"	317.246166	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-2H+Na"	20.974666
"1620328"	317.246166	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Na-2H"	20.974666
"96867"	313.252563	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M-H+Cl"	33.962126
"542990"	461.388313	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M-H+Cl"	33.962126
"936506"	165.116813	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-H+Cl"	33.962126
"275063"	627.512402	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+Cl"	34.969402
"667488"	923.783902	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+Cl"	34.969402
"1277705"	331.240902	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Cl"	34.969402
"22447"	629.491606	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M-2H+K"	36.948606
"463100"	925.763106	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M-2H+K"	36.948606
"837628"	333.220106	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-2H+K"	36.948606
"1559292"	333.220106	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+K-2H"	36.948606
"948268"	341.269694	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-H+HCOOH"	44.998194
"363565"	637.541201	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+HCOOH-H"	44.998201
"348544"	651.556851	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+Hac-H"	59.013851
"1498836"	355.285351	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Hac-H"	59.013851
"962731"	363.251651	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-H+NaCOOH"	66.980151
"112731"	331.240902	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+2Cl"	69.938804
"552290"	479.376652	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+2Cl"	69.938804
"1022913"	183.105152	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2Cl"	69.938804
"1243221"	375.190385	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Br"	78.918885
"1305303"	377.246372	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Cl+HCOOH"	80.974872
"1320164"	399.228329	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Cl+NaCOOH"	102.956829
"911707"	409.257086	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M-H+CF3COOH"	112.985586
"1291665"	445.233764	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Cl+CF3COOH"	148.962264
"1369832"	261.258824	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H-2H2O"	-35.012676
"1384049"	279.2688	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H-H2O"	-17.0027
"285923"	593.550276	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+H"	1.007276
"679438"	889.821776	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+H"	1.007276
"1354328"	297.278776	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H"	1.007276
"127580"	297.278776	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+2H"	2.014552
"568238"	445.414526	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+2H"	2.014552
"1038495"	149.143026	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2H"	2.014552
"207125"	198.521609333333	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+3H"	3.021828
"646319"	297.278776	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+3H"	3.021828
"1166273"	99.7644426666667	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+3H"	3.021828
"425413"	610.576823	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+NH4"	18.033823
"786897"	906.848323	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+NH4"	18.033823
"1682621"	314.305323	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+NH4"	18.033823
"331385"	305.7920495	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+H+NH4"	19.041099
"723682"	453.9277995	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+H+NH4"	19.041099
"1483584"	157.6562995	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H+NH4"	19.041099
"395703"	615.532218	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+Na"	22.989218
"763260"	911.803718	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+Na"	22.989218
"1606983"	319.260718	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Na"	22.989218
"315197"	308.269747	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+H+Na"	23.996494
"721613"	456.405497	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+H+Na"	23.996494
"1475914"	160.133997	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H+Na"	23.996494
"1067704"	107.091756666667	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2H+Na"	25.00377
"1272054"	329.304986	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+CH3OH+H"	33.033486
"391596"	631.506158	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+K"	38.963158
"751617"	927.777658	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+K"	38.963158
"1553681"	335.234658	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+K"	38.963158
"311219"	316.256717	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+H+K"	39.970434
"703640"	464.392467	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+H+K"	39.970434
"1459892"	168.120967	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H+K"	39.970434
"247885"	634.576826	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+ACN+H"	42.033826
"1222779"	338.305326	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+ACN+H"	42.033826
"1207395"	169.656301	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+ACN+2H"	43.041102
"201361"	637.51416	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+2Na-H"	44.97116
"642863"	933.78566	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+2Na-H"	44.97116
"1145157"	341.24266	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2Na-H"	44.97116
"187232"	319.260718	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+2Na"	45.978436
"623625"	467.396468	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+2Na"	45.978436
"1124941"	171.124968	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2Na"	45.978436
"1407370"	114.419070666667	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H+2Na"	46.985712
"1436204"	343.284246	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H+HCOOH"	47.012746
"224804"	324.29374	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+3H2O+2H"	56.04448
"1519436"	357.33629	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+IsoProp+H"	61.06479
"410376"	327.247688	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+Na+K"	61.952376
"771373"	475.383438	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+Na+K"	61.952376
"1666973"	179.111938	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Na+K"	61.952376
"254223"	656.558768	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+ACN+Na"	64.015768
"1230213"	360.287268	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+ACN+Na"	64.015768
"1715819"	360.310793	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+NH4+HCOOH"	64.039293
"1183358"	121.746384666667	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+3Na"	68.967654
"1653250"	365.266188	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Na+HCOOH"	68.994688
"162300"	669.46204	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+2K-H"	76.91904
"608424"	965.73354	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+2K-H"	76.91904
"1094031"	373.19054	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2K-H"	76.91904
"150846"	335.234658	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"2M+2K"	77.926316
"591504"	483.370408	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"3M+2K"	77.926316
"1081487"	187.098908	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2K"	77.926316
"1110320"	375.205092	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2K+H"	78.933592
"1347803"	375.292707	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+DMSO+H"	79.021207
"1018520"	379.331876	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2ACN+H"	83.060376
"1534457"	380.325508	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+IsoProp+Na+H"	84.054008
"1004183"	190.169576	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+2ACN+2H"	84.067652
"1598687"	381.240128	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+K+HCOOH"	84.968628
"1422160"	411.271638	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+H+CF3COOH"	115.000138
"1159010"	210.682851	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+3ACN+2H"	125.094202
"1709654"	428.298185	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+NH4+CF3COOH"	132.026685
"1647491"	433.25358	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+Na+CF3COOH"	136.98208
"1586421"	449.22752	"C03425"	"Oleic acid methyl ester;Methyl oleate"	"C19H36O2"	"296.2715"	"M+K+CF3COOH"	152.95602
"806946"	722.444	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M"	0
"985948"	703.42561	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-H2O-H"	-19.01839
"66535"	480.622057333333	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M-3H"	-3.021828
"503660"	721.436724	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M-3H"	-3.021828
"888274"	239.807390666667	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-3H"	-3.021828
"9035"	721.436724	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H"	-2.014552
"443128"	1082.658724	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H"	-2.014552
"831263"	360.214724	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-2H"	-2.014552
"90767"	1443.880724	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M-H"	-1.007276
"529232"	2166.324724	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M-H"	-1.007276
"907035"	721.436724	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-H"	-1.007276
"58128"	1460.907271	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H+NH4"	16.019271
"490034"	2183.351271	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H+NH4"	16.019271
"866375"	738.463271	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-2H+NH4"	16.019271
"35369"	1465.862666	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H+Na"	20.974666
"473836"	2188.306666	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H+Na"	20.974666
"849570"	743.418666	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-2H+Na"	20.974666
"1629197"	743.418666	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Na-2H"	20.974666
"108158"	739.425063	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M-H+Cl"	33.962126
"543100"	1100.647063	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M-H+Cl"	33.962126
"932241"	378.203063	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-H+Cl"	33.962126
"277360"	1479.857402	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+Cl"	34.969402
"670878"	2202.301402	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+Cl"	34.969402
"1280002"	757.413402	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl"	34.969402
"22557"	1481.836606	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H+K"	36.948606
"463211"	2204.280606	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H+K"	36.948606
"838832"	759.392606	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-2H+K"	36.948606
"1558308"	759.392606	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+K-2H"	36.948606
"949106"	767.442194	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-H+HCOOH"	44.998194
"364403"	1489.886201	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+HCOOH-H"	44.998201
"349019"	1503.901851	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+Hac-H"	59.013851
"1497854"	781.457851	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Hac-H"	59.013851
"963209"	789.424151	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-H+NaCOOH"	66.980151
"114665"	757.413402	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+2Cl"	69.938804
"556047"	1118.635402	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+2Cl"	69.938804
"1024117"	396.191402	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2Cl"	69.938804
"1242967"	801.362885	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Br"	78.918885
"1306873"	803.418872	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl+HCOOH"	80.974872
"1321090"	825.400829	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl+NaCOOH"	102.956829
"912508"	835.429586	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M-H+CF3COOH"	112.985586
"1291047"	871.406264	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl+CF3COOH"	148.962264
"1368849"	687.431324	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H-2H2O"	-35.012676
"1383791"	705.4413	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H-H2O"	-17.0027
"284206"	1445.895276	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+H"	1.007276
"676996"	2168.339276	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+H"	1.007276
"1354074"	723.451276	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H"	1.007276
"126234"	723.451276	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+2H"	2.014552
"566647"	1084.673276	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+2H"	2.014552
"1037877"	362.229276	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2H"	2.014552
"206871"	482.636609333333	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+3H"	3.021828
"646065"	723.451276	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+3H"	3.021828
"1164562"	241.821942666667	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+3H"	3.021828
"425280"	1462.921823	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+NH4"	18.033823
"786277"	2185.365823	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+NH4"	18.033823
"1682245"	740.477823	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+NH4"	18.033823
"332710"	731.9645495	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+H+NH4"	19.041099
"723672"	1093.1865495	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+H+NH4"	19.041099
"1483694"	370.7425495	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H+NH4"	19.041099
"395813"	1467.877218	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+Na"	22.989218
"762277"	2190.321218	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+Na"	22.989218
"1607093"	745.433218	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Na"	22.989218
"316400"	734.442247	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+H+Na"	23.996494
"721467"	1095.664247	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+H+Na"	23.996494
"1476500"	373.220247	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H+Na"	23.996494
"1066469"	249.149256666667	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2H+Na"	25.00377
"1268149"	755.477486	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+CH3OH+H"	33.033486
"387816"	1483.851158	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+K"	38.963158
"746625"	2206.295158	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+K"	38.963158
"1552699"	761.407158	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+K"	38.963158
"313153"	742.429217	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+H+K"	39.970434
"704478"	1103.651217	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+H+K"	39.970434
"1459756"	381.207217	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H+K"	39.970434
"249815"	1486.921826	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+ACN+H"	42.033826
"1224350"	764.477826	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+ACN+H"	42.033826
"1204954"	382.742551	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+ACN+2H"	43.041102
"201104"	1489.85916	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+2Na-H"	44.97116
"641758"	2212.30316	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+2Na-H"	44.97116
"1143076"	767.41516	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2Na-H"	44.97116
"185273"	745.433218	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+2Na"	45.978436
"624464"	1106.655218	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+2Na"	45.978436
"1126874"	384.211218	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2Na"	45.978436
"1409667"	256.476570666667	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H+2Na"	46.985712
"1436314"	769.456746	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H+HCOOH"	47.012746
"223821"	750.46624	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+3H2O+2H"	56.04448
"1519545"	783.50879	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+IsoProp+H"	61.06479
"411579"	753.420188	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+Na+K"	61.952376
"770550"	1114.642188	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+Na+K"	61.952376
"1665988"	392.198188	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Na+K"	61.952376
"253241"	1508.903768	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+ACN+Na"	64.015768
"1228136"	786.459768	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+ACN+Na"	64.015768
"1715928"	786.483293	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+NH4+HCOOH"	64.039293
"1181644"	263.803884666667	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+3Na"	68.967654
"1652267"	791.438688	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Na+HCOOH"	68.994688
"161318"	1521.80704	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+2K-H"	76.91904
"600877"	2244.25104	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+2K-H"	76.91904
"1091951"	799.36304	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2K-H"	76.91904
"146577"	761.407158	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"2M+2K"	77.926316
"595260"	1122.629158	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"3M+2K"	77.926316
"1078313"	400.185158	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2K"	77.926316
"1107150"	801.377592	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2K+H"	78.933592
"1344627"	801.465207	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+DMSO+H"	79.021207
"1018631"	805.504376	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2ACN+H"	83.060376
"1538216"	806.498008	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+IsoProp+Na+H"	84.054008
"1001017"	403.255826	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+2ACN+2H"	84.067652
"1598800"	807.412628	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+K+HCOOH"	84.968628
"1423366"	837.444138	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+H+CF3COOH"	115.000138
"1158027"	423.769101	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+3ACN+2H"	125.094202
"1709764"	854.470685	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+NH4+CF3COOH"	132.026685
"1647601"	859.42608	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+Na+CF3COOH"	136.98208
"1586531"	875.40002	"C03427"	"Prephytoene diphosphate"	"C40H68O7P2"	"722.444"	"M+K+CF3COOH"	152.95602
"809243"	586.3188	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M"	0
"984965"	567.30041	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-H2O-H"	-19.01839
"67009"	389.871924	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M-3H"	-3.021828
"503091"	585.311524	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M-3H"	-3.021828
"889478"	194.432324	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-3H"	-3.021828
"2949"	585.311524	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H"	-2.014552
"443238"	878.470924	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H"	-2.014552
"827603"	292.152124	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H"	-2.014552
"90879"	1171.630324	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M-H"	-1.007276
"528249"	1757.949124	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M-H"	-1.007276
"909331"	585.311524	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-H"	-1.007276
"57145"	1188.656871	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+NH4"	16.019271
"489779"	1774.975671	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+NH4"	16.019271
"866851"	602.338071	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+NH4"	16.019271
"35114"	1193.612266	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+Na"	20.974666
"473582"	1779.931066	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+Na"	20.974666
"849317"	607.293466	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+Na"	20.974666
"1629307"	607.293466	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na-2H"	20.974666
"105837"	603.299863	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M-H+Cl"	33.962126
"539930"	896.459263	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M-H+Cl"	33.962126
"928703"	310.140463	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+Cl"	33.962126
"273095"	1207.607002	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Cl"	34.969402
"666614"	1793.925802	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Cl"	34.969402
"1277195"	621.288202	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl"	34.969402
"17685"	1209.586206	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+K"	36.948606
"458946"	1795.905006	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+K"	36.948606
"838213"	623.267406	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+K"	36.948606
"1558780"	623.267406	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+K-2H"	36.948606
"946664"	631.316994	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+HCOOH"	44.998194
"365241"	1217.635801	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+HCOOH-H"	44.998201
"350222"	1231.651451	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Hac-H"	59.013851
"1496137"	645.332651	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Hac-H"	59.013851
"963683"	653.298951	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+NaCOOH"	66.980151
"115138"	621.288202	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Cl"	69.938804
"555062"	914.447602	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Cl"	69.938804
"1023133"	328.128802	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Cl"	69.938804
"1243076"	665.237685	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Br"	78.918885
"1306255"	667.293672	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+HCOOH"	80.974872
"1323023"	689.275629	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+NaCOOH"	102.956829
"911765"	699.304386	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+CF3COOH"	112.985586
"1288969"	735.281064	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+CF3COOH"	148.962264
"1369687"	551.306124	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H-2H2O"	-35.012676
"1385723"	569.3161	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H-H2O"	-17.0027
"285043"	1173.644876	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H"	1.007276
"677222"	1759.963676	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H"	1.007276
"1352357"	587.326076	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H"	1.007276
"128166"	587.326076	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2H"	2.014552
"567365"	880.485476	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2H"	2.014552
"1039077"	294.166676	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2H"	2.014552
"205635"	391.886476	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+3H"	3.021828
"647264"	587.326076	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+3H"	3.021828
"1165402"	196.446876	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+3H"	3.021828
"425998"	1190.671423	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+NH4"	18.033823
"787235"	1776.990223	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+NH4"	18.033823
"1682474"	604.352623	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4"	18.033823
"332090"	595.8393495	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+NH4"	19.041099
"724875"	888.9987495	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+NH4"	19.041099
"1482711"	302.6799495	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+NH4"	19.041099
"395194"	1195.626818	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Na"	22.989218
"764573"	1781.945618	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Na"	22.989218
"1606474"	609.308018	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na"	22.989218
"316510"	598.317047	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+Na"	23.996494
"719509"	891.476447	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+Na"	23.996494
"1471140"	305.157647	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+Na"	23.996494
"1057824"	203.77419	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2H+Na"	25.00377
"1269347"	619.352286	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+CH3OH+H"	33.033486
"388655"	1211.600758	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+K"	38.963158
"750014"	1797.919558	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+K"	38.963158
"1552080"	625.281958	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+K"	38.963158
"313949"	606.304017	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+K"	39.970434
"705681"	899.463417	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+K"	39.970434
"1459502"	313.144617	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+K"	39.970434
"249925"	1214.671426	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+ACN+H"	42.033826
"1224459"	628.352626	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+H"	42.033826
"1206887"	314.679951	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+2H"	43.041102
"202309"	1217.60876	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Na-H"	44.97116
"643204"	1803.92756	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Na-H"	44.97116
"1146101"	631.28996	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Na-H"	44.97116
"187204"	609.308018	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Na"	45.978436
"624574"	902.467418	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Na"	45.978436
"1124068"	316.148618	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Na"	45.978436
"1407591"	211.101504	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+2Na"	46.985712
"1436424"	633.331546	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+HCOOH"	47.012746
"224295"	614.34104	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+3H2O+2H"	56.04448
"1519655"	647.38359	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+IsoProp+H"	61.06479
"411690"	617.294988	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Na+K"	61.952376
"771226"	910.454388	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Na+K"	61.952376
"1667555"	324.135588	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+K"	61.952376
"253351"	1236.653368	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+ACN+Na"	64.015768
"1229339"	650.334568	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+Na"	64.015768
"1714580"	650.358093	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4+HCOOH"	64.039293
"1182118"	218.428818	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+3Na"	68.967654
"1654196"	655.313488	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+HCOOH"	68.994688
"163614"	1249.55664	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2K-H"	76.91904
"600987"	1835.87544	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2K-H"	76.91904
"1092061"	663.23784	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K-H"	76.91904
"145594"	625.281958	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2K"	77.926316
"595977"	918.441358	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2K"	77.926316
"1076234"	332.122558	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K"	77.926316
"1109446"	665.252392	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K+H"	78.933592
"1344737"	665.340007	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+DMSO+H"	79.021207
"1017647"	669.379176	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2ACN+H"	83.060376
"1538202"	670.372808	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+IsoProp+Na+H"	84.054008
"1001855"	335.193226	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+2ACN+2H"	84.067652
"1598910"	671.287428	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+K+HCOOH"	84.968628
"1424569"	701.318938	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+CF3COOH"	115.000138
"1160324"	355.706501	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+3ACN+2H"	125.094202
"1709875"	718.345485	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4+CF3COOH"	132.026685
"1647711"	723.30088	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+CF3COOH"	136.98208
"1586641"	739.27482	"C03428"	"Presqualene diphosphate"	"C30H52O7P2"	"586.3188"	"M+K+CF3COOH"	152.95602
"813729"	385.1056	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M"	0
"979606"	366.08721	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-H2O-H"	-19.01839
"66756"	255.729790666667	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M-3H"	-3.021828
"502845"	384.098324	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M-3H"	-3.021828
"884117"	127.361257333333	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-3H"	-3.021828
"2695"	384.098324	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M-2H"	-2.014552
"453196"	576.651124	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M-2H"	-2.014552
"829904"	191.545524	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-2H"	-2.014552
"91352"	769.203924	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M-H"	-1.007276
"527266"	1154.309524	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M-H"	-1.007276
"901789"	384.098324	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-H"	-1.007276
"47898"	786.230471	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M-2H+NH4"	16.019271
"488069"	1171.336071	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M-2H+NH4"	16.019271
"867326"	401.124871	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-2H+NH4"	16.019271
"33403"	791.185866	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M-2H+Na"	20.974666
"474792"	1176.291466	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M-2H+Na"	20.974666
"849674"	406.080266	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-2H+Na"	20.974666
"1626138"	406.080266	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Na-2H"	20.974666
"102668"	402.086663	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M-H+Cl"	33.962126
"540042"	594.639463	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M-H+Cl"	33.962126
"936838"	209.533863	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-H+Cl"	33.962126
"275397"	805.180602	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+Cl"	34.969402
"668913"	1190.286202	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+Cl"	34.969402
"1279129"	420.075002	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Cl"	34.969402
"23872"	807.159806	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M-2H+K"	36.948606
"466714"	1192.265406	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M-2H+K"	36.948606
"836863"	422.054206	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-2H+K"	36.948606
"1558529"	422.054206	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+K-2H"	36.948606
"946776"	430.103794	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-H+HCOOH"	44.998194
"366086"	815.209401	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+HCOOH-H"	44.998201
"350698"	829.225051	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+Hac-H"	59.013851
"1496978"	444.119451	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Hac-H"	59.013851
"963061"	452.085751	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-H+NaCOOH"	66.980151
"114883"	420.075002	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+2Cl"	69.938804
"551527"	612.627802	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+2Cl"	69.938804
"1023608"	227.522202	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2Cl"	69.938804
"1241725"	464.024485	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Br"	78.918885
"1304909"	466.080472	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Cl+HCOOH"	80.974872
"1322407"	488.062429	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Cl+NaCOOH"	102.956829
"911477"	498.091186	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M-H+CF3COOH"	112.985586
"1290907"	534.067864	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Cl+CF3COOH"	148.962264
"1372349"	350.092924	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H-2H2O"	-35.012676
"1385471"	368.1029	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H-H2O"	-17.0027
"284791"	771.218476	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+H"	1.007276
"676157"	1156.324076	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+H"	1.007276
"1352228"	386.112876	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H"	1.007276
"127184"	386.112876	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+2H"	2.014552
"567471"	578.665676	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+2H"	2.014552
"1037607"	193.560076	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2H"	2.014552
"207821"	257.744342666667	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+3H"	3.021828
"644506"	386.112876	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+3H"	3.021828
"1164294"	129.375809333333	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+3H"	3.021828
"425624"	788.245023	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+NH4"	18.033823
"787592"	1173.350623	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+NH4"	18.033823
"1682951"	403.139423	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+NH4"	18.033823
"330865"	394.6261495	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+H+NH4"	19.041099
"730094"	587.1789495	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+H+NH4"	19.041099
"1483914"	202.0733495	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H+NH4"	19.041099
"394208"	793.200418	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+Na"	22.989218
"760309"	1178.306018	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+Na"	22.989218
"1607312"	408.094818	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Na"	22.989218
"329263"	397.103847	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+H+Na"	23.996494
"719619"	589.656647	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+H+Na"	23.996494
"1473437"	204.551047	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H+Na"	23.996494
"1068107"	136.703123333333	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2H+Na"	25.00377
"1270553"	418.139086	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+CH3OH+H"	33.033486
"389131"	809.174358	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+K"	38.963158
"753419"	1194.279958	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+K"	38.963158
"1553648"	424.068758	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+K"	38.963158
"311187"	405.090817	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+H+K"	39.970434
"706156"	597.643617	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+H+K"	39.970434
"1459248"	212.538017	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H+K"	39.970434
"249307"	812.245026	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+ACN+H"	42.033826
"1223113"	427.139426	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+ACN+H"	42.033826
"1208091"	214.073351	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+ACN+2H"	43.041102
"203146"	815.18236	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+2Na-H"	44.97116
"641615"	1200.28796	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+2Na-H"	44.97116
"1146212"	430.07676	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2Na-H"	44.97116
"187313"	408.094818	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+2Na"	45.978436
"622860"	600.647618	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+2Na"	45.978436
"1123084"	215.542018	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2Na"	45.978436
"1404420"	144.030437333333	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H+2Na"	46.985712
"1438722"	432.118346	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H+HCOOH"	47.012746
"220640"	413.12784	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+3H2O+2H"	56.04448
"1516486"	446.17039	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+IsoProp+H"	61.06479
"409735"	416.081788	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+Na+K"	61.952376
"772796"	608.634588	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+Na+K"	61.952376
"1667669"	223.528988	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Na+K"	61.952376
"253461"	834.226968	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+ACN+Na"	64.015768
"1229449"	449.121368	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+ACN+Na"	64.015768
"1716149"	449.144893	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+NH4+HCOOH"	64.039293
"1184784"	151.357751333333	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+3Na"	68.967654
"1654678"	454.100288	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Na+HCOOH"	68.994688
"164820"	847.13024	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+2K-H"	76.91904
"609850"	1232.23584	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+2K-H"	76.91904
"1093266"	462.02464	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2K-H"	76.91904
"156165"	424.068758	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"2M+2K"	77.926316
"594022"	616.621558	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"3M+2K"	77.926316
"1081819"	231.515958	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2K"	77.926316
"1113572"	464.039192	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2K+H"	78.933592
"1347769"	464.126807	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+DMSO+H"	79.021207
"1018847"	468.165976	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2ACN+H"	83.060376
"1536975"	469.159608	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+IsoProp+Na+H"	84.054008
"1001234"	234.586626	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+2ACN+2H"	84.067652
"1599016"	470.074228	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+K+HCOOH"	84.968628
"1426863"	500.105738	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+H+CF3COOH"	115.000138
"1159337"	255.099901	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+3ACN+2H"	125.094202
"1707794"	517.132285	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+NH4+CF3COOH"	132.026685
"1642352"	522.08768	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+Na+CF3COOH"	136.98208
"1586752"	538.06162	"C03431"	"S-Inosyl-L-homocysteine"	"C14H19N5O6S"	"385.1056"	"M+K+CF3COOH"	152.95602
"813839"	258.0617	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M"	0
"976436"	239.04331	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-H2O-H"	-19.01839
"69052"	171.033857333333	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M-3H"	-3.021828
"502998"	257.054424	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M-3H"	-3.021828
"880947"	85.0132906666667	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-3H"	-3.021828
"2805"	257.054424	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H"	-2.014552
"452213"	386.085274	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H"	-2.014552
"830621"	128.023574	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H"	-2.014552
"90003"	515.116124	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M-H"	-1.007276
"527376"	773.177824	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M-H"	-1.007276
"898619"	257.054424	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-H"	-1.007276
"48494"	532.142671	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H+NH4"	16.019271
"488539"	790.204371	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H+NH4"	16.019271
"865976"	274.080971	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H+NH4"	16.019271
"34242"	537.098066	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H+Na"	20.974666
"477818"	795.159766	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H+Na"	20.974666
"850880"	279.036366	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H+Na"	20.974666
"1626248"	279.036366	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na-2H"	20.974666
"106057"	275.042763	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M-H+Cl"	33.962126
"543430"	404.073613	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M-H+Cl"	33.962126
"930747"	146.011913	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+Cl"	33.962126
"275504"	551.092802	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Cl"	34.969402
"667924"	809.154502	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+Cl"	34.969402
"1281423"	293.031102	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl"	34.969402
"19605"	553.072006	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M-2H+K"	36.948606
"459168"	811.133706	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M-2H+K"	36.948606
"836244"	295.010306	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-2H+K"	36.948606
"1558274"	295.010306	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+K-2H"	36.948606
"948709"	303.059894	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+HCOOH"	44.998194
"366197"	561.121601	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+HCOOH-H"	44.998201
"350808"	575.137251	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Hac-H"	59.013851
"1496724"	317.075551	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Hac-H"	59.013851
"961350"	325.041851	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+NaCOOH"	66.980151
"113900"	293.031102	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2Cl"	69.938804
"551272"	422.061952	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2Cl"	69.938804
"1023719"	164.000252	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2Cl"	69.938804
"1241959"	336.980585	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Br"	78.918885
"1304568"	339.036572	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl+HCOOH"	80.974872
"1322517"	361.018529	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl+NaCOOH"	102.956829
"913210"	371.047286	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M-H+CF3COOH"	112.985586
"1292477"	407.023964	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Cl+CF3COOH"	148.962264
"1371731"	223.049024	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H-2H2O"	-35.012676
"1387040"	241.059	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H-H2O"	-17.0027
"287819"	517.130676	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H"	1.007276
"676350"	775.192376	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H"	1.007276
"1354772"	259.068976	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H"	1.007276
"127659"	259.068976	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2H"	2.014552
"566856"	388.099826	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2H"	2.014552
"1037354"	130.038126	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2H"	2.014552
"209024"	173.048409333333	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+3H"	3.021828
"644456"	259.068976	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+3H"	3.021828
"1166713"	87.0278426666667	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+3H"	3.021828
"426706"	534.157223	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+NH4"	18.033823
"788795"	792.218923	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+NH4"	18.033823
"1685125"	276.095523	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+NH4"	18.033823
"331220"	267.5822495	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H+NH4"	19.041099
"730204"	396.6130995	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H+NH4"	19.041099
"1484024"	138.5513995	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+NH4"	19.041099
"393955"	539.112618	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Na"	22.989218
"757137"	797.174318	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+Na"	22.989218
"1607421"	281.050918	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na"	22.989218
"328401"	270.059947	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H+Na"	23.996494
"719729"	399.090797	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H+Na"	23.996494
"1473547"	141.029097	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+Na"	23.996494
"1066797"	94.3551566666666	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2H+Na"	25.00377
"1267381"	291.095186	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+CH3OH+H"	33.033486
"390329"	555.086558	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+K"	38.963158
"752798"	813.148258	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+K"	38.963158
"1550843"	297.024858	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+K"	38.963158
"309475"	278.046917	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+H+K"	39.970434
"706267"	407.077767	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+H+K"	39.970434
"1459357"	149.016067	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+K"	39.970434
"250509"	558.157226	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+ACN+H"	42.033826
"1223586"	300.095526	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+ACN+H"	42.033826
"1207833"	150.551401	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+ACN+2H"	43.041102
"201435"	561.09456	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2Na-H"	44.97116
"639901"	819.15626	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2Na-H"	44.97116
"1145593"	303.03286	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2Na-H"	44.97116
"187058"	281.050918	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2Na"	45.978436
"622970"	410.081768	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2Na"	45.978436
"1122100"	152.020068	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2Na"	45.978436
"1403437"	101.682470666667	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+2Na"	46.985712
"1436645"	305.074446	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+HCOOH"	47.012746
"220510"	286.08394	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+3H2O+2H"	56.04448
"1516596"	319.12649	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+IsoProp+H"	61.06479
"409722"	289.037888	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+Na+K"	61.952376
"772175"	418.068738	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+Na+K"	61.952376
"1666316"	160.007038	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na+K"	61.952376
"253203"	580.139168	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+ACN+Na"	64.015768
"1227008"	322.077468	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+ACN+Na"	64.015768
"1714800"	322.100993	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+NH4+HCOOH"	64.039293
"1184894"	109.009784666667	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+3Na"	68.967654
"1653695"	327.056388	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na+HCOOH"	68.994688
"164930"	593.04244	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2K-H"	76.91904
"609960"	851.10414	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2K-H"	76.91904
"1093376"	334.98074	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2K-H"	76.91904
"153480"	297.024858	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"2M+2K"	77.926316
"594133"	426.055708	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"3M+2K"	77.926316
"1082538"	167.994008	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2K"	77.926316
"1113317"	336.995292	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2K+H"	78.933592
"1350793"	337.082907	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+DMSO+H"	79.021207
"1019327"	341.122076	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2ACN+H"	83.060376
"1538665"	342.115708	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+IsoProp+Na+H"	84.054008
"1002436"	171.064676	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+2ACN+2H"	84.067652
"1596939"	343.030328	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+K+HCOOH"	84.968628
"1428066"	373.061838	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+H+CF3COOH"	115.000138
"1159447"	191.577951	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+3ACN+2H"	125.094202
"1710091"	390.088385	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+NH4+CF3COOH"	132.026685
"1645742"	395.04378	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+Na+CF3COOH"	136.98208
"1586862"	411.01772	"C03433"	"Streptamine 4-phosphate"	"C6H15N2O7P"	"258.0617"	"M+K+CF3COOH"	152.95602
"813949"	245.8809	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M"	0
"975453"	226.86251	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-H2O-H"	-19.01839
"68069"	162.913324	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M-3H"	-3.021828
"503978"	244.873624	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M-3H"	-3.021828
"880523"	80.953024	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-3H"	-3.021828
"2915"	244.873624	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M-2H"	-2.014552
"452322"	367.814074	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M-2H"	-2.014552
"830732"	121.933174	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-2H"	-2.014552
"91937"	490.754524	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M-H"	-1.007276
"527486"	736.635424	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M-H"	-1.007276
"905289"	244.873624	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-H"	-1.007276
"50916"	507.781071	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M-2H+NH4"	16.019271
"488654"	753.661971	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M-2H+NH4"	16.019271
"866819"	261.900171	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-2H+NH4"	16.019271
"33625"	512.736466	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M-2H+Na"	20.974666
"474648"	758.617366	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M-2H+Na"	20.974666
"850262"	266.855566	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-2H+Na"	20.974666
"1626358"	266.855566	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Na-2H"	20.974666
"106167"	262.861963	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M-H+Cl"	33.962126
"543540"	385.802413	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M-H+Cl"	33.962126
"930493"	139.921513	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-H+Cl"	33.962126
"276708"	526.731202	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+Cl"	34.969402
"663662"	772.612102	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+Cl"	34.969402
"1282628"	280.850302	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Cl"	34.969402
"25183"	528.710406	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M-2H+K"	36.948606
"459278"	774.591306	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M-2H+K"	36.948606
"834892"	282.829506	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-2H+K"	36.948606
"1559475"	282.829506	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+K-2H"	36.948606
"946265"	290.879094	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-H+HCOOH"	44.998194
"364118"	536.760001	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+HCOOH-H"	44.998201
"346300"	550.775651	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+Hac-H"	59.013851
"1493918"	304.894751	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Hac-H"	59.013851
"958622"	312.861051	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-H+NaCOOH"	66.980151
"112917"	280.850302	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+2Cl"	69.938804
"550205"	403.790752	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+2Cl"	69.938804
"1021557"	157.909852	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2Cl"	69.938804
"1244136"	324.799785	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Br"	78.918885
"1306949"	326.855772	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Cl+HCOOH"	80.974872
"1320272"	348.837729	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Cl+NaCOOH"	102.956829
"911776"	358.866486	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M-H+CF3COOH"	112.985586
"1292951"	394.843164	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Cl+CF3COOH"	148.962264
"1370745"	210.868224	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H-2H2O"	-35.012676
"1383378"	228.8782	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H-H2O"	-17.0027
"284645"	492.769076	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+H"	1.007276
"676094"	738.649976	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+H"	1.007276
"1355975"	246.888176	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H"	1.007276
"129229"	246.888176	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+2H"	2.014552
"570612"	369.828626	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+2H"	2.014552
"1038193"	123.947726	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2H"	2.014552
"211320"	164.927876	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+3H"	3.021828
"644379"	246.888176	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+3H"	3.021828
"1166094"	82.967576	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+3H"	3.021828
"427910"	509.795623	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+NH4"	18.033823
"787813"	755.676523	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+NH4"	18.033823
"1686329"	263.914723	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+NH4"	18.033823
"332423"	255.4014495	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+H+NH4"	19.041099
"725939"	378.3418995	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+H+NH4"	19.041099
"1478056"	132.4609995	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H+NH4"	19.041099
"396250"	514.751018	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+Na"	22.989218
"755786"	760.631918	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+Na"	22.989218
"1604251"	268.870118	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Na"	22.989218
"325231"	257.879147	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+H+Na"	23.996494
"719839"	380.819597	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+H+Na"	23.996494
"1472564"	134.938697	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H+Na"	23.996494
"1064720"	90.29489	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2H+Na"	25.00377
"1264211"	278.914386	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+CH3OH+H"	33.033486
"382782"	530.724958	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+K"	38.963158
"752542"	776.605858	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+K"	38.963158
"1549131"	284.844058	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+K"	38.963158
"309584"	265.866117	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+H+K"	39.970434
"705283"	388.806567	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+H+K"	39.970434
"1458374"	142.925667	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H+K"	39.970434
"248069"	533.795626	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+ACN+H"	42.033826
"1222236"	287.914726	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+ACN+H"	42.033826
"1204299"	144.461001	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+ACN+2H"	43.041102
"200447"	536.73296	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+2Na-H"	44.97116
"637824"	782.61386	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+2Na-H"	44.97116
"1144609"	290.85206	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2Na-H"	44.97116
"186075"	268.870118	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+2Na"	45.978436
"623080"	391.810568	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+2Na"	45.978436
"1123303"	145.929668	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2Na"	45.978436
"1404640"	97.622204	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H+2Na"	46.985712
"1436755"	292.893646	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H+HCOOH"	47.012746
"221713"	273.90314	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+3H2O+2H"	56.04448
"1509780"	306.94569	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+IsoProp+H"	61.06479
"409832"	276.857088	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+Na+K"	61.952376
"770418"	399.797538	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+Na+K"	61.952376
"1667522"	153.916638	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Na+K"	61.952376
"252583"	555.777568	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+ACN+Na"	64.015768
"1226752"	309.896668	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+ACN+Na"	64.015768
"1715638"	309.920193	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+NH4+HCOOH"	64.039293
"1179900"	104.949518	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+3Na"	68.967654
"1654898"	314.875588	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Na+HCOOH"	68.994688
"162853"	568.68084	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+2K-H"	76.91904
"606789"	814.56174	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+2K-H"	76.91904
"1088019"	322.79994	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2K-H"	76.91904
"151403"	284.844058	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"2M+2K"	77.926316
"593149"	407.784508	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"3M+2K"	77.926316
"1082037"	161.903608	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2K"	77.926316
"1110875"	324.814492	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2K+H"	78.933592
"1349690"	324.902107	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+DMSO+H"	79.021207
"1019313"	328.941276	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2ACN+H"	83.060376
"1537194"	329.934908	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+IsoProp+Na+H"	84.054008
"1000360"	164.974276	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+2ACN+2H"	84.067652
"1597049"	330.849528	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+K+HCOOH"	84.968628
"1427082"	360.881038	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+H+CF3COOH"	115.000138
"1160650"	185.487551	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+3ACN+2H"	125.094202
"1708014"	377.907585	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+NH4+CF3COOH"	132.026685
"1639292"	382.86298	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+Na+CF3COOH"	136.98208
"1586972"	398.83692	"C03434"	"Tetrachlorohydroquinone;2356-Tetrachlorohydroquinone"	"C6H2Cl4O2"	"245.8809"	"M+K+CF3COOH"	152.95602
"808591"	131.0582	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M"	0
"978845"	112.03981	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"70369"	86.3648573333333	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"518399"	130.050924	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"892106"	42.6787906666667	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"14692"	130.050924	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"454618"	195.580024	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"826950"	64.521824	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"93750"	261.109124	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"530876"	392.167324	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"905398"	130.050924	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"55398"	278.135671	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"496052"	409.193871	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"870574"	147.077471	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"35921"	283.091066	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"474752"	414.149266	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"850735"	152.032866	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1626468"	152.032866	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"97530"	148.039263	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"541466"	213.568363	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"934980"	82.510163	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"276818"	297.085802	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"669241"	428.144002	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1275081"	166.027602	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"17884"	299.065006	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"458293"	430.123206	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"835123"	168.006806	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1557154"	168.006806	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"943942"	176.056394	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"362768"	307.114601	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"346283"	321.130251	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1494391"	190.072051	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"958809"	198.038351	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"111563"	166.027602	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"551855"	231.556702	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1021991"	100.498502	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1242786"	209.977085	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1304502"	212.033072	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1320100"	234.015029	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"911725"	244.043786	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1289165"	280.020464	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1367199"	96.045524	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1383733"	114.0555	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"283662"	263.123676	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"677183"	394.181876	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1357907"	132.065476	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"131161"	132.065476	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"570721"	197.594576	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1041708"	66.536376	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"208153"	88.3794093333333	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"645161"	132.065476	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1168025"	44.6933426666667	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"428017"	280.150223	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"791200"	411.208423	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1682549"	149.092023	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"330339"	140.5787495	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"726044"	206.1078495	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1479865"	75.0496495	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"394776"	285.105618	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"762827"	416.163818	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1617247"	154.047418	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"323151"	143.056447	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"716664"	208.585547	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1473768"	77.527347	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1063736"	52.0206566666667	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1268702"	164.091686	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"389466"	301.079558	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"749371"	432.137758	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1549233"	170.021358	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"306407"	151.043417	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"701015"	216.572517	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1458844"	85.514317	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"245622"	304.150226	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1220519"	173.092026	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1204405"	87.049651	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"199461"	307.08756	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"636832"	438.14576	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1135234"	176.02936	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"178527"	154.047418	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"617720"	219.576518	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1116200"	88.518318	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1404758"	59.3479706666667	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1433956"	178.070946	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"222192"	159.08044	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1510985"	192.12299	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"408927"	162.034388	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"770284"	227.563488	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1666123"	96.505288	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"252327"	326.132168	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1225676"	195.073968	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1712894"	195.097493	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1178586"	66.6752846666667	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1650989"	200.052888	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"164058"	339.03544	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"601431"	470.09364	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1090320"	207.97724	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"154668"	170.021358	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"593256"	235.550458	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1079956"	104.492258	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1110977"	209.991792	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1341894"	210.079407	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1019175"	214.118576	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1537299"	215.112208	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"1000465"	107.562926	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1599343"	216.026828	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1419535"	246.058338	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1154198"	128.076201	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1701562"	263.084885	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1637214"	268.04028	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1571525"	284.01422	"C03440"	"cis-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"807608"	548.0808	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M"	0
"974945"	529.06241	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-H2O-H"	-19.01839
"73759"	364.379924	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M-3H"	-3.021828
"517332"	547.073524	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M-3H"	-3.021828
"891123"	181.686324	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-3H"	-3.021828
"15709"	547.073524	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M-2H"	-2.014552
"455378"	821.113924	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M-2H"	-2.014552
"828885"	273.033124	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-2H"	-2.014552
"92520"	1095.154324	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M-H"	-1.007276
"525519"	1643.235124	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M-H"	-1.007276
"898949"	547.073524	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-H"	-1.007276
"48949"	1112.180871	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+NH4"	16.019271
"488143"	1660.261671	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+NH4"	16.019271
"867404"	564.100071	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-2H+NH4"	16.019271
"33483"	1117.136266	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+Na"	20.974666
"473773"	1665.217066	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+Na"	20.974666
"849390"	569.055466	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-2H+Na"	20.974666
"1629859"	569.055466	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Na-2H"	20.974666
"100921"	565.061863	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M-H+Cl"	33.962126
"544859"	839.102263	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M-H+Cl"	33.962126
"935090"	291.021463	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-H+Cl"	33.962126
"276928"	1131.131002	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+Cl"	34.969402
"670444"	1679.211802	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+Cl"	34.969402
"1274099"	583.050202	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Cl"	34.969402
"22126"	1133.110206	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+K"	36.948606
"459499"	1681.191006	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+K"	36.948606
"836208"	585.029406	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-2H+K"	36.948606
"1559696"	585.029406	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+K-2H"	36.948606
"945388"	593.078994	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-H+HCOOH"	44.998194
"368348"	1141.159801	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+HCOOH-H"	44.998201
"348584"	1155.175451	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+Hac-H"	59.013851
"1496324"	607.094651	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Hac-H"	59.013851
"961678"	615.060951	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-H+NaCOOH"	66.980151
"111676"	583.050202	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+2Cl"	69.938804
"551235"	857.090602	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+2Cl"	69.938804
"1021979"	309.009802	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2Cl"	69.938804
"1244353"	626.999685	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Br"	78.918885
"1304859"	629.055672	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+HCOOH"	80.974872
"1321747"	651.037629	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+NaCOOH"	102.956829
"912318"	661.066386	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M-H+CF3COOH"	112.985586
"1289157"	697.043064	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+CF3COOH"	148.962264
"1367677"	513.068124	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H-2H2O"	-35.012676
"1385912"	531.0781	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H-H2O"	-17.0027
"284141"	1097.168876	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+H"	1.007276
"681668"	1645.249676	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+H"	1.007276
"1359111"	549.088076	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H"	1.007276
"133093"	549.088076	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+2H"	2.014552
"571561"	823.128476	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+2H"	2.014552
"1042548"	275.047676	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2H"	2.014552
"212639"	366.394476	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+3H"	3.021828
"651106"	549.088076	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+3H"	3.021828
"1168136"	183.700876	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+3H"	3.021828
"428127"	1114.195423	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+NH4"	18.033823
"795684"	1662.276223	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+NH4"	18.033823
"1686547"	566.114623	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+NH4"	18.033823
"330816"	557.6013495	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+H+NH4"	19.041099
"727247"	831.6417495	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+H+NH4"	19.041099
"1479975"	283.5609495	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H+NH4"	19.041099
"396467"	1119.150818	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+Na"	22.989218
"767312"	1667.231618	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+Na"	22.989218
"1617235"	571.070018	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Na"	22.989218
"324355"	560.079047	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+H+Na"	23.996494
"716775"	834.119447	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+H+Na"	23.996494
"1473878"	286.038647	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H+Na"	23.996494
"1063846"	191.02819	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2H+Na"	25.00377
"1271001"	581.114286	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+CH3OH+H"	33.033486
"390671"	1135.124758	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+K"	38.963158
"749482"	1683.205558	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+K"	38.963158
"1554083"	587.043958	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+K"	38.963158
"311985"	568.066017	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+H+K"	39.970434
"704406"	842.106417	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+H+K"	39.970434
"1460049"	294.025617	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H+K"	39.970434
"247920"	1138.195426	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+H"	42.033826
"1222453"	590.114626	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+H"	42.033826
"1206338"	295.560951	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+2H"	43.041102
"198843"	1141.13276	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na-H"	44.97116
"635120"	1689.21356	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na-H"	44.97116
"1135344"	593.05196	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2Na-H"	44.97116
"181917"	571.070018	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na"	45.978436
"615156"	845.110418	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na"	45.978436
"1116109"	297.029618	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2Na"	45.978436
"1408148"	198.355504	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H+2Na"	46.985712
"1436983"	595.093546	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H+HCOOH"	47.012746
"228866"	576.10304	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+3H2O+2H"	56.04448
"1515834"	609.14559	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+H"	61.06479
"416614"	579.056988	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+Na+K"	61.952376
"776515"	853.097388	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+Na+K"	61.952376
"1671753"	305.016588	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Na+K"	61.952376
"254262"	1160.177368	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+Na"	64.015768
"1226968"	612.096568	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+Na"	64.015768
"1713094"	612.120093	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+HCOOH"	64.039293
"1178573"	205.682818	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+3Na"	68.967654
"1651100"	617.075488	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Na+HCOOH"	68.994688
"168542"	1173.08064	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+2K-H"	76.91904
"603728"	1721.16144	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+2K-H"	76.91904
"1093710"	624.99984	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2K-H"	76.91904
"154899"	587.043958	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"2M+2K"	77.926316
"595553"	861.084358	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"3M+2K"	77.926316
"1080066"	313.003558	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2K"	77.926316
"1107807"	627.014392	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2K+H"	78.933592
"1342004"	627.102007	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+DMSO+H"	79.021207
"1019285"	631.141176	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+H"	83.060376
"1535223"	632.134808	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+Na+H"	84.054008
"999482"	316.074226	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+2H"	84.067652
"1597267"	633.049428	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+K+HCOOH"	84.968628
"1416364"	663.080938	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+H+CF3COOH"	115.000138
"1155400"	336.587501	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+3ACN+2H"	125.094202
"1704953"	680.107485	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+CF3COOH"	132.026685
"1637323"	685.06288	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+Na+CF3COOH"	136.98208
"1572122"	701.03682	"C03442"	"dTDP-L-dihydrostreptose"	"C16H26N2O15P2"	"548.0808"	"M+K+CF3COOH"	152.95602
"807718"	357.9684	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M"	0
"974692"	338.95001	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-H2O-H"	-19.01839
"70589"	237.638324	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M-3H"	-3.021828
"515618"	356.961124	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M-3H"	-3.021828
"891233"	118.315524	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-3H"	-3.021828
"13456"	356.961124	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M-2H"	-2.014552
"452651"	535.945324	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M-2H"	-2.014552
"826078"	177.976924	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-2H"	-2.014552
"89351"	714.929524	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M-H"	-1.007276
"522349"	1072.897924	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M-H"	-1.007276
"896872"	356.961124	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-H"	-1.007276
"48328"	731.956071	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M-2H+NH4"	16.019271
"487766"	1089.924471	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M-2H+NH4"	16.019271
"869701"	373.987671	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-2H+NH4"	16.019271
"33225"	736.911466	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M-2H+Na"	20.974666
"473883"	1094.879866	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M-2H+Na"	20.974666
"849500"	378.943066	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-2H+Na"	20.974666
"1629970"	378.943066	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Na-2H"	20.974666
"101031"	374.949463	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M-H+Cl"	33.962126
"540593"	553.933663	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M-H+Cl"	33.962126
"935200"	195.965263	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-H+Cl"	33.962126
"274851"	750.906202	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+Cl"	34.969402
"667272"	1108.874602	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+Cl"	34.969402
"1274451"	392.937802	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Cl"	34.969402
"20049"	752.885406	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M-2H+K"	36.948606
"459608"	1110.853806	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M-2H+K"	36.948606
"836318"	394.917006	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-2H+K"	36.948606
"1559805"	394.917006	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+K-2H"	36.948606
"945866"	402.966594	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-H+HCOOH"	44.998194
"365174"	760.935001	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+HCOOH-H"	44.998201
"347237"	774.950651	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+Hac-H"	59.013851
"1496798"	416.982251	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Hac-H"	59.013851
"961788"	424.948551	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-H+NaCOOH"	66.980151
"112149"	392.937802	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+2Cl"	69.938804
"552438"	571.922002	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+2Cl"	69.938804
"1022333"	213.953602	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2Cl"	69.938804
"1244463"	436.887285	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Br"	78.918885
"1306550"	438.943272	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Cl+HCOOH"	80.974872
"1321493"	460.925229	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Cl+NaCOOH"	102.956829
"913645"	470.953986	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M-H+CF3COOH"	112.985586
"1290362"	506.930664	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Cl+CF3COOH"	148.962264
"1368151"	322.955724	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H-2H2O"	-35.012676
"1388574"	340.9657	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H-H2O"	-17.0027
"283887"	716.944076	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+H"	1.007276
"676185"	1074.912476	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+H"	1.007276
"1352661"	358.975676	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H"	1.007276
"126643"	358.975676	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+2H"	2.014552
"565836"	537.959876	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+2H"	2.014552
"1040471"	179.991476	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2H"	2.014552
"211655"	239.652876	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+3H"	3.021828
"651216"	358.975676	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+3H"	3.021828
"1170434"	120.330076	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+3H"	3.021828
"430424"	733.970623	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+NH4"	18.033823
"793607"	1091.939023	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+NH4"	18.033823
"1684471"	376.002223	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+NH4"	18.033823
"330683"	367.4889495	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+H+NH4"	19.041099
"723099"	546.4731495	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+H+NH4"	19.041099
"1478992"	188.5047495	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H+NH4"	19.041099
"397672"	738.926018	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+Na"	22.989218
"766328"	1096.894418	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+Na"	22.989218
"1613334"	380.957618	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Na"	22.989218
"324465"	369.966647	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+H+Na"	23.996494
"713605"	548.950847	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+H+Na"	23.996494
"1471801"	190.982447	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H+Na"	23.996494
"1063956"	127.65739	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2H+Na"	25.00377
"1270747"	391.001886	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+CH3OH+H"	33.033486
"392565"	754.899958	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+K"	38.963158
"750679"	1112.868358	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+K"	38.963158
"1551644"	396.931558	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+K"	38.963158
"312095"	377.953617	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+H+K"	39.970434
"702328"	556.937817	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+H+K"	39.970434
"1458335"	198.969417	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H+K"	39.970434
"245843"	757.970626	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+ACN+H"	42.033826
"1221834"	400.002226	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+ACN+H"	42.033826
"1207540"	200.504751	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+ACN+2H"	43.041102
"199317"	760.90796	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+2Na-H"	44.97116
"634137"	1118.87636	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+2Na-H"	44.97116
"1135454"	402.93956	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2Na-H"	44.97116
"179840"	380.957618	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+2Na"	45.978436
"618306"	559.941818	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+2Na"	45.978436
"1120353"	201.973418	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2Na"	45.978436
"1408258"	134.984704	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H+2Na"	46.985712
"1438186"	404.981146	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H+HCOOH"	47.012746
"228976"	385.99064	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+3H2O+2H"	56.04448
"1514851"	419.03319	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+IsoProp+H"	61.06479
"416724"	388.944588	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+Na+K"	61.952376
"774439"	567.928788	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+Na+K"	61.952376
"1671863"	209.960388	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Na+K"	61.952376
"256194"	779.952568	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+ACN+Na"	64.015768
"1231092"	421.984168	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+ACN+Na"	64.015768
"1714506"	422.007693	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+NH4+HCOOH"	64.039293
"1178495"	142.312018	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+3Na"	68.967654
"1651211"	426.963088	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Na+HCOOH"	68.994688
"169746"	792.85584	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+2K-H"	76.91904
"602745"	1150.82424	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+2K-H"	76.91904
"1093091"	434.88744	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2K-H"	76.91904
"153916"	396.931558	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"2M+2K"	77.926316
"589103"	575.915758	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"3M+2K"	77.926316
"1079083"	217.947358	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2K"	77.926316
"1111199"	436.901992	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2K+H"	78.933592
"1342116"	436.989607	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+DMSO+H"	79.021207
"1020488"	441.028776	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2ACN+H"	83.060376
"1538614"	442.022408	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+IsoProp+Na+H"	84.054008
"1003968"	221.018026	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+2ACN+2H"	84.067652
"1598470"	442.937028	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+K+HCOOH"	84.968628
"1421942"	472.968538	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+H+CF3COOH"	115.000138
"1156605"	241.531301	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+3ACN+2H"	125.094202
"1708344"	489.995085	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+NH4+CF3COOH"	132.026685
"1639621"	494.95048	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+Na+CF3COOH"	136.98208
"1571990"	510.92442	"C03444"	"p-Chloromercuribenzoate;p-Chloromercuribenzoic acid;PCMB"	"C7H5ClHgO2"	"357.9684"	"M+K+CF3COOH"	152.95602
"807831"	168.115	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M"	0
"975166"	149.09661	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"69606"	111.069390666667	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"517797"	167.107724	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"893897"	55.0310573333333	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"14783"	167.107724	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"452033"	251.165224	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"827284"	83.050224	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"88732"	335.222724	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"529386"	503.337724	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"900261"	167.107724	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"54636"	352.249271	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"488730"	520.364271	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"865436"	184.134271	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"33340"	357.204666	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"483110"	525.319666	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"859820"	189.089666	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1626801"	189.089666	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"105516"	185.096063	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"541797"	269.153563	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"934217"	101.038563	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"272773"	371.199402	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"666289"	539.314402	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1281975"	203.084402	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"21254"	373.178606	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"461906"	541.293606	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"835335"	205.063606	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1559916"	205.063606	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"945610"	213.113194	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"363098"	381.228201	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"349534"	395.243851	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1493627"	227.128851	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"960441"	235.095151	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"112625"	203.084402	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"553643"	287.141902	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1023902"	119.026902	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1244210"	247.033885	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1307753"	249.089872	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1320062"	271.071829	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"912669"	281.100586	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1291202"	317.077264	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1370094"	133.102324	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1385404"	151.1123	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"283997"	337.237276	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"676011"	505.352276	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1354957"	169.122276	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H"	1.007276
"127481"	169.122276	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"566185"	253.179776	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1040584"	85.064776	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"208485"	113.083942666667	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"648044"	169.122276	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1163734"	57.0456093333333	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"428349"	354.263823	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"789344"	522.378823	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1681456"	186.148823	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"330082"	177.6355495	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"726378"	261.6930495	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1479102"	93.5780495	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"406538"	359.219218	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"765345"	527.334218	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1614539"	191.104218	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"325302"	180.113247	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"719187"	264.170747	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1474102"	96.055747	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1066261"	64.3729233333333	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1268672"	201.148486	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"389435"	375.193158	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"749700"	543.308158	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1553939"	207.078158	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K"	38.963158
"312570"	188.100217	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"701345"	272.157717	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1456258"	104.042717	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"242672"	378.263826	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1218663"	210.148826	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1202547"	105.578051	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"198698"	381.20116	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"637163"	549.31616	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1136293"	213.08616	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"179950"	191.104218	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"615012"	275.161718	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1123019"	107.046718	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1406182"	71.7002373333333	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1437202"	215.127746	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"226898"	196.13724	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1518240"	229.17979	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"411367"	199.091188	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"774548"	283.148688	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1673066"	115.033688	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"258491"	400.245768	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1232294"	232.130768	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1713524"	232.154293	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1183257"	79.0275513333333	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1660806"	237.109688	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"162201"	413.14904	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"602855"	581.26404	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1093929"	245.03404	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"148560"	207.078158	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"592494"	291.135658	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1078099"	123.020658	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1109122"	247.048592	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1348792"	247.136207	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1019506"	251.175376	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1533257"	252.169008	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"997515"	126.091326	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1590925"	253.083628	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1418772"	283.115138	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1154530"	146.604601	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1697080"	300.141685	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1634463"	305.09708	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1580852"	321.07102	"C03448"	"()-exo-5-Hydroxycamphor;5-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"815232"	193.0739	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M"	0
"981473"	174.05551	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-H2O-H"	-19.01839
"77740"	127.708657333333	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M-3H"	-3.021828
"517182"	192.066624	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M-3H"	-3.021828
"894862"	63.3506906666667	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-3H"	-3.021828
"15138"	192.066624	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M-2H"	-2.014552
"453601"	288.603574	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M-2H"	-2.014552
"830676"	95.529674	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-2H"	-2.014552
"89570"	385.140524	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M-H"	-1.007276
"529496"	578.214424	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M-H"	-1.007276
"903651"	192.066624	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-H"	-1.007276
"55839"	402.167071	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M-2H+NH4"	16.019271
"495400"	595.240971	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M-2H+NH4"	16.019271
"868826"	209.093171	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-2H+NH4"	16.019271
"42201"	407.122466	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M-2H+Na"	20.974666
"482492"	600.196366	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M-2H+Na"	20.974666
"862483"	214.048566	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-2H+Na"	20.974666
"1629102"	214.048566	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Na-2H"	20.974666
"106719"	210.054963	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M-H+Cl"	33.962126
"540812"	306.591913	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M-H+Cl"	33.962126
"938340"	113.518013	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-H+Cl"	33.962126
"271790"	421.117202	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+Cl"	34.969402
"664946"	614.191102	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+Cl"	34.969402
"1275526"	228.043302	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Cl"	34.969402
"21363"	423.096406	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M-2H+K"	36.948606
"456546"	616.170306	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M-2H+K"	36.948606
"835810"	230.022506	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-2H+K"	36.948606
"1558566"	230.022506	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+K-2H"	36.948606
"952288"	238.072094	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-H+HCOOH"	44.998194
"368316"	431.146001	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+HCOOH-H"	44.998201
"349281"	445.161651	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+Hac-H"	59.013851
"1494101"	252.087751	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Hac-H"	59.013851
"959821"	260.054051	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-H+NaCOOH"	66.980151
"112737"	228.043302	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+2Cl"	69.938804
"552659"	324.580252	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+2Cl"	69.938804
"1022556"	131.506352	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2Cl"	69.938804
"1242860"	271.992785	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Br"	78.918885
"1305674"	274.048772	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Cl+HCOOH"	80.974872
"1320741"	296.030729	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Cl+NaCOOH"	102.956829
"918613"	306.059486	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M-H+CF3COOH"	112.985586
"1293135"	342.036164	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Cl+CF3COOH"	148.962264
"1375672"	158.061224	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H-2H2O"	-35.012676
"1394263"	176.0712	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H-H2O"	-17.0027
"283502"	387.155076	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+H"	1.007276
"677625"	580.228976	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+H"	1.007276
"1358348"	194.081176	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H"	1.007276
"127956"	194.081176	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+2H"	2.014552
"566176"	290.618126	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+2H"	2.014552
"1041058"	97.544226	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2H"	2.014552
"209687"	129.723209333333	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+3H"	3.021828
"648154"	194.081176	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+3H"	3.021828
"1165185"	65.3652426666667	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+3H"	3.021828
"430646"	404.181623	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+NH4"	18.033823
"787388"	597.255523	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+NH4"	18.033823
"1681365"	211.107723	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+NH4"	18.033823
"331876"	202.5944495	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+H+NH4"	19.041099
"728674"	299.1313995	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+H+NH4"	19.041099
"1481399"	106.0574995	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H+NH4"	19.041099
"406285"	409.137018	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+Na"	22.989218
"766548"	602.210918	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+Na"	22.989218
"1613555"	216.063118	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Na"	22.989218
"321403"	205.072147	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+H+Na"	23.996494
"716016"	301.609097	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+H+Na"	23.996494
"1470932"	108.535197	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H+Na"	23.996494
"1065278"	72.6925566666667	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2H+Na"	25.00377
"1264774"	226.107386	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+CH3OH+H"	33.033486
"389180"	425.110958	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+K"	38.963158
"749808"	618.184858	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+K"	38.963158
"1546391"	232.037058	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+K"	38.963158
"306846"	213.059117	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+H+K"	39.970434
"697080"	309.596067	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+H+K"	39.970434
"1455275"	116.522167	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H+K"	39.970434
"242782"	428.181626	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+ACN+H"	42.033826
"1218772"	235.107726	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+ACN+H"	42.033826
"1202656"	118.057501	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+ACN+2H"	43.041102
"199901"	431.11896	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+2Na-H"	44.97116
"637273"	624.19286	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+2Na-H"	44.97116
"1137497"	238.04506	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2Na-H"	44.97116
"181153"	216.063118	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+2Na"	45.978436
"618160"	312.600068	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+2Na"	45.978436
"1123858"	119.526168	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2Na"	45.978436
"1406290"	80.0198706666667	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H+2Na"	46.985712
"1433667"	240.086646	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H+HCOOH"	47.012746
"227008"	221.09614	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+3H2O+2H"	56.04448
"1513610"	254.13869	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+IsoProp+H"	61.06479
"414757"	224.050088	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+Na+K"	61.952376
"772472"	320.587038	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+Na+K"	61.952376
"1670989"	127.513138	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Na+K"	61.952376
"252888"	450.163568	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+ACN+Na"	64.015768
"1225642"	257.089668	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+ACN+Na"	64.015768
"1712816"	257.113193	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+NH4+HCOOH"	64.039293
"1178906"	87.3471846666667	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+3Na"	68.967654
"1654355"	262.068588	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Na+HCOOH"	68.994688
"162311"	463.06684	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+2K-H"	76.91904
"602965"	656.14074	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+2K-H"	76.91904
"1094039"	269.99294	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2K-H"	76.91904
"148670"	232.037058	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"2M+2K"	77.926316
"592604"	328.574008	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"3M+2K"	77.926316
"1077116"	135.500108	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2K"	77.926316
"1104857"	272.007492	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2K+H"	78.933592
"1344529"	272.095107	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+DMSO+H"	79.021207
"1017795"	276.134276	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2ACN+H"	83.060376
"1535552"	277.127908	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+IsoProp+Na+H"	84.054008
"994346"	138.570776	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+2ACN+2H"	84.067652
"1599786"	278.042528	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+K+HCOOH"	84.968628
"1426539"	308.074038	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+H+CF3COOH"	115.000138
"1152451"	159.084051	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+3ACN+2H"	125.094202
"1697016"	325.100585	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+NH4+CF3COOH"	132.026685
"1636561"	330.05598	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+Na+CF3COOH"	136.98208
"1577682"	346.02992	"C03450"	"(3-Arylcarbonyl)-alanine"	"C10H11NO3"	"193.0739"	"M+K+CF3COOH"	152.95602
"814614"	379.1049	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M"	0
"976116"	360.08651	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-H2O-H"	-19.01839
"67639"	251.729324	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M-3H"	-3.021828
"516684"	378.097624	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M-3H"	-3.021828
"893390"	125.361024	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-3H"	-3.021828
"12694"	378.097624	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M-2H"	-2.014552
"451524"	567.650074	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M-2H"	-2.014552
"828597"	188.545174	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-2H"	-2.014552
"89682"	757.202524	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M-H"	-1.007276
"525964"	1136.307424	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M-H"	-1.007276
"903761"	378.097624	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-H"	-1.007276
"54855"	774.229071	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M-2H+NH4"	16.019271
"490043"	1153.333971	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M-2H+NH4"	16.019271
"870029"	395.124171	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-2H+NH4"	16.019271
"40125"	779.184466	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M-2H+Na"	20.974666
"483696"	1158.289366	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M-2H+Na"	20.974666
"861865"	400.079566	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-2H+Na"	20.974666
"1630305"	400.079566	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Na-2H"	20.974666
"104643"	396.085963	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M-H+Cl"	33.962126
"540922"	585.638413	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M-H+Cl"	33.962126
"937721"	206.533513	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-H+Cl"	33.962126
"271900"	793.179202	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+Cl"	34.969402
"664692"	1172.284102	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+Cl"	34.969402
"1276365"	414.074302	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Cl"	34.969402
"21473"	795.158406	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M-2H+K"	36.948606
"456900"	1174.263306	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M-2H+K"	36.948606
"836649"	416.053506	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-2H+K"	36.948606
"1558312"	416.053506	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+K-2H"	36.948606
"952398"	424.103094	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-H+HCOOH"	44.998194
"370614"	803.208001	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+HCOOH-H"	44.998201
"351579"	817.223651	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+Hac-H"	59.013851
"1493848"	438.118751	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Hac-H"	59.013851
"961025"	446.085051	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-H+NaCOOH"	66.980151
"112849"	414.074302	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+2Cl"	69.938804
"552407"	603.626752	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+2Cl"	69.938804
"1025947"	224.521852	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2Cl"	69.938804
"1242728"	458.023785	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Br"	78.918885
"1307972"	460.079772	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Cl+HCOOH"	80.974872
"1321461"	482.061729	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Cl+NaCOOH"	102.956829
"916536"	492.090486	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M-H+CF3COOH"	112.985586
"1292150"	528.067164	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Cl+CF3COOH"	148.962264
"1375782"	344.092224	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H-2H2O"	-35.012676
"1397289"	362.1022	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H-H2O"	-17.0027
"289687"	759.217076	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+H"	1.007276
"683202"	1138.321976	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+H"	1.007276
"1353355"	380.112176	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H"	1.007276
"129160"	380.112176	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+2H"	2.014552
"566894"	569.664626	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+2H"	2.014552
"1042990"	190.559726	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2H"	2.014552
"210891"	253.743876	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+3H"	3.021828
"648264"	380.112176	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+3H"	3.021828
"1168581"	127.375576	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+3H"	3.021828
"430756"	776.243623	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+NH4"	18.033823
"788471"	1155.348523	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+NH4"	18.033823
"1682614"	397.138723	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+NH4"	18.033823
"331986"	388.6254495	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+H+NH4"	19.041099
"728781"	578.1778995	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+H+NH4"	19.041099
"1479322"	199.0729995	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H+NH4"	19.041099
"405664"	781.199018	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+Na"	22.989218
"760097"	1160.303918	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+Na"	22.989218
"1612571"	402.094118	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Na"	22.989218
"321513"	391.103147	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+H+Na"	23.996494
"712847"	580.655597	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+H+Na"	23.996494
"1471042"	201.550697	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H+Na"	23.996494
"1064659"	134.70289	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2H+Na"	25.00377
"1267071"	412.138386	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+CH3OH+H"	33.033486
"385645"	797.172958	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+K"	38.963158
"748460"	1176.277858	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+K"	38.963158
"1551966"	418.068058	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+K"	38.963158
"311328"	399.090117	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+H+K"	39.970434
"698282"	588.642567	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+H+K"	39.970434
"1456478"	209.537667	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H+K"	39.970434
"246171"	800.243626	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+ACN+H"	42.033826
"1217787"	421.138726	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+ACN+H"	42.033826
"1201672"	211.073001	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+ACN+2H"	43.041102
"195637"	803.18096	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+2Na-H"	44.97116
"636289"	1182.28586	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+2Na-H"	44.97116
"1139794"	424.07606	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2Na-H"	44.97116
"180170"	402.094118	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+2Na"	45.978436
"619365"	591.646568	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+2Na"	45.978436
"1121416"	212.541668	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2Na"	45.978436
"1403121"	142.030204	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H+2Na"	46.985712
"1433413"	426.117646	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H+HCOOH"	47.012746
"223109"	407.12714	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+3H2O+2H"	56.04448
"1510440"	440.16969	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+IsoProp+H"	61.06479
"409761"	410.081088	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+Na+K"	61.952376
"772581"	599.633538	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+Na+K"	61.952376
"1665995"	220.528638	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Na+K"	61.952376
"251781"	822.225568	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+ACN+Na"	64.015768
"1226551"	443.120668	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+ACN+Na"	64.015768
"1713252"	443.144193	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+NH4+HCOOH"	64.039293
"1178646"	149.357518	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+3Na"	68.967654
"1656651"	448.099588	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Na+HCOOH"	68.994688
"157682"	835.12884	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+2K-H"	76.91904
"599795"	1214.23374	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+2K-H"	76.91904
"1090869"	456.02394	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2K-H"	76.91904
"147687"	418.068058	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"2M+2K"	77.926316
"592714"	607.620508	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"3M+2K"	77.926316
"1076133"	228.515608	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2K"	77.926316
"1104967"	458.038492	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2K+H"	78.933592
"1347190"	458.126107	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+DMSO+H"	79.021207
"1016446"	462.165276	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2ACN+H"	83.060376
"1533478"	463.158908	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+IsoProp+Na+H"	84.054008
"1001020"	231.586276	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+2ACN+2H"	84.067652
"1599896"	464.073528	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+K+HCOOH"	84.968628
"1426283"	494.105038	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+H+CF3COOH"	115.000138
"1154748"	252.099551	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+3ACN+2H"	125.094202
"1702113"	511.131585	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+NH4+CF3COOH"	132.026685
"1635578"	516.08698	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+Na+CF3COOH"	136.98208
"1581072"	532.06092	"C03451"	"(R)-S-Lactoylglutathione;S-D-Lactoylglutathione"	"C13H21N3O8S"	"379.1049"	"M+K+CF3COOH"	152.95602
"808161"	158.0215	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M"	0
"976226"	139.00311	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-H2O-H"	-19.01839
"68843"	104.340390666667	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M-3H"	-3.021828
"518167"	157.014224	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M-3H"	-3.021828
"892773"	51.6665573333333	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-3H"	-3.021828
"13535"	157.014224	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M-2H"	-2.014552
"451638"	236.024974	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M-2H"	-2.014552
"827616"	78.003474	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-2H"	-2.014552
"88699"	315.035724	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M-H"	-1.007276
"526074"	473.057224	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M-H"	-1.007276
"902778"	157.014224	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-H"	-1.007276
"52778"	332.062271	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M-2H+NH4"	16.019271
"490152"	490.083771	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M-2H+NH4"	16.019271
"867224"	174.040771	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-2H+NH4"	16.019271
"38047"	337.017666	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M-2H+Na"	20.974666
"484170"	495.039166	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M-2H+Na"	20.974666
"861608"	178.996166	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-2H+Na"	20.974666
"1629322"	178.996166	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Na-2H"	20.974666
"103660"	175.002563	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M-H+Cl"	33.962126
"537752"	254.013313	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M-H+Cl"	33.962126
"935643"	95.991813	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-H+Cl"	33.962126
"272010"	351.012402	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+Cl"	34.969402
"661031"	509.033902	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+Cl"	34.969402
"1276111"	192.990902	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Cl"	34.969402
"21583"	352.991606	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M-2H+K"	36.948606
"456769"	511.013106	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M-2H+K"	36.948606
"836758"	194.970106	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-2H+K"	36.948606
"1558419"	194.970106	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+K-2H"	36.948606
"945209"	203.019694	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-H+HCOOH"	44.998194
"369997"	361.041201	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+HCOOH-H"	44.998201
"351325"	375.056851	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+Hac-H"	59.013851
"1496512"	217.035351	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Hac-H"	59.013851
"960771"	225.001651	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-H+NaCOOH"	66.980151
"112594"	192.990902	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+2Cl"	69.938804
"554341"	272.001652	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+2Cl"	69.938804
"1023138"	113.980152	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2Cl"	69.938804
"1242107"	236.940385	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Br"	78.918885
"1306989"	238.996372	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Cl+HCOOH"	80.974872
"1323029"	260.978329	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Cl+NaCOOH"	102.956829
"918834"	271.007086	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M-H+CF3COOH"	112.985586
"1299918"	306.983764	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Cl+CF3COOH"	148.962264
"1381729"	123.008824	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H-2H2O"	-35.012676
"1395578"	141.0188	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H-H2O"	-17.0027
"289797"	317.050276	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+H"	1.007276
"685500"	475.071776	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+H"	1.007276
"1357477"	159.028776	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H"	1.007276
"127085"	159.028776	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+2H"	2.014552
"573206"	238.039526	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+2H"	2.014552
"1043101"	80.018026	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2H"	2.014552
"209910"	106.354942666667	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+3H"	3.021828
"647281"	159.028776	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+3H"	3.021828
"1170877"	53.6811093333333	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+3H"	3.021828
"427587"	334.076823	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+NH4"	18.033823
"790769"	492.098323	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+NH4"	18.033823
"1688194"	176.055323	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+NH4"	18.033823
"334285"	167.5420495	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+H+NH4"	19.041099
"724519"	246.5527995	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+H+NH4"	19.041099
"1483806"	88.5312995	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H+NH4"	19.041099
"401400"	339.032218	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+Na"	22.989218
"760207"	497.053718	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+Na"	22.989218
"1609401"	181.010718	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Na"	22.989218
"318343"	170.019747	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+H+Na"	23.996494
"712957"	249.030497	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+H+Na"	23.996494
"1467872"	91.008997	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H+Na"	23.996494
"1065497"	61.0084233333333	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2H+Na"	25.00377
"1270456"	191.054986	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+CH3OH+H"	33.033486
"391580"	355.006158	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+K"	38.963158
"749299"	513.027658	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+K"	38.963158
"1550987"	196.984658	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+K"	38.963158
"308158"	178.006717	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+H+K"	39.970434
"701672"	257.017467	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+H+K"	39.970434
"1455496"	98.995967	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H+K"	39.970434
"245191"	358.076826	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+ACN+H"	42.033826
"1220087"	200.055326	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+ACN+H"	42.033826
"1200690"	100.531301	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+ACN+2H"	43.041102
"192466"	361.01416	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+2Na-H"	44.97116
"636400"	519.03566	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+2Na-H"	44.97116
"1142093"	202.99266	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2Na-H"	44.97116
"182101"	181.010718	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+2Na"	45.978436
"618382"	260.021468	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+2Na"	45.978436
"1122985"	101.999968	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2Na"	45.978436
"1405418"	68.3357373333333	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H+2Na"	46.985712
"1434252"	205.034246	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H+HCOOH"	47.012746
"225042"	186.04374	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+3H2O+2H"	56.04448
"1510549"	219.08629	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+IsoProp+H"	61.06479
"409749"	188.997688	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+Na+K"	61.952376
"772691"	268.008438	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+Na+K"	61.952376
"1667928"	109.986938	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Na+K"	61.952376
"252744"	380.058768	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+ACN+Na"	64.015768
"1228606"	222.037268	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+ACN+Na"	64.015768
"1714941"	222.060793	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+NH4+HCOOH"	64.039293
"1181023"	75.6630513333333	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+3Na"	68.967654
"1654575"	227.016188	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Na+HCOOH"	68.994688
"161437"	392.96204	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+2K-H"	76.91904
"599906"	550.98354	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+2K-H"	76.91904
"1093167"	234.94054	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2K-H"	76.91904
"148890"	196.984658	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"2M+2K"	77.926316
"591370"	275.995408	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"3M+2K"	77.926316
"1080256"	117.973908	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2K"	77.926316
"1111644"	236.955092	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2K+H"	78.933592
"1344749"	237.042707	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+DMSO+H"	79.021207
"1015466"	241.081876	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2ACN+H"	83.060376
"1532497"	242.075508	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+IsoProp+Na+H"	84.054008
"1001130"	121.044576	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+2ACN+2H"	84.067652
"1597819"	242.990128	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+K+HCOOH"	84.968628
"1423478"	273.021638	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+H+CF3COOH"	115.000138
"1154859"	141.557851	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+3ACN+2H"	125.094202
"1702223"	290.048185	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+NH4+CF3COOH"	132.026685
"1635688"	295.00358	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+Na+CF3COOH"	136.98208
"1581182"	310.97752	"C03453"	"gamma-Oxalocrotonate;(Z)-5-Oxohex-2-enedioate;4-Oxalocrotonate"	"C6H6O5"	"158.0215"	"M+K+CF3COOH"	152.95602
"808270"	524.4593	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M"	0
"979615"	505.44091	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-H2O-H"	-19.01839
"66761"	348.632257333333	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M-3H"	-3.021828
"516168"	523.452024	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M-3H"	-3.021828
"895064"	173.812490666667	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-3H"	-3.021828
"14011"	523.452024	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M-2H"	-2.014552
"453567"	785.681674	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M-2H"	-2.014552
"824440"	261.222374	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-2H"	-2.014552
"91724"	1047.911324	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M-H"	-1.007276
"529464"	1572.370624	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M-H"	-1.007276
"903982"	523.452024	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-H"	-1.007276
"50699"	1064.937871	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M-2H+NH4"	16.019271
"494641"	1589.397171	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M-2H+NH4"	16.019271
"869159"	540.478571	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-2H+NH4"	16.019271
"39250"	1069.893266	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M-2H+Na"	20.974666
"483190"	1594.352566	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M-2H+Na"	20.974666
"861354"	545.433966	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-2H+Na"	20.974666
"1628338"	545.433966	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Na-2H"	20.974666
"102677"	541.440363	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M-H+Cl"	33.962126
"542238"	803.670013	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M-H+Cl"	33.962126
"933567"	279.210713	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-H+Cl"	33.962126
"269695"	1083.888002	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+Cl"	34.969402
"662360"	1608.347302	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+Cl"	34.969402
"1275857"	559.428702	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Cl"	34.969402
"20235"	1085.867206	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M-2H+K"	36.948606
"455794"	1610.326506	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M-2H+K"	36.948606
"837598"	561.407906	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-2H+K"	36.948606
"1556346"	561.407906	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+K-2H"	36.948606
"945324"	569.457494	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-H+HCOOH"	44.998194
"369740"	1093.916801	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+HCOOH-H"	44.998201
"347421"	1107.932451	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+Hac-H"	59.013851
"1493701"	583.473151	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Hac-H"	59.013851
"960511"	591.439451	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-H+NaCOOH"	66.980151
"111848"	559.428702	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+2Cl"	69.938804
"551530"	821.658352	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+2Cl"	69.938804
"1022518"	297.199052	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2Cl"	69.938804
"1242463"	603.378185	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Br"	78.918885
"1307098"	605.434172	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Cl+HCOOH"	80.974872
"1322415"	627.416129	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Cl+NaCOOH"	102.956829
"913840"	637.444886	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M-H+CF3COOH"	112.985586
"1293466"	673.421564	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Cl+CF3COOH"	148.962264
"1381836"	489.446624	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H-2H2O"	-35.012676
"1385847"	507.4566	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H-H2O"	-17.0027
"286627"	1049.925876	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+H"	1.007276
"680143"	1574.385176	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+H"	1.007276
"1353211"	525.466576	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H"	1.007276
"128288"	525.466576	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+2H"	2.014552
"574411"	787.696226	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+2H"	2.014552
"1045399"	263.236926	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2H"	2.014552
"214392"	350.646809333333	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+3H"	3.021828
"655049"	525.466576	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+3H"	3.021828
"1172080"	175.827042666667	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+3H"	3.021828
"435351"	1066.952423	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+NH4"	18.033823
"788690"	1591.411723	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+NH4"	18.033823
"1682834"	542.493123	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+NH4"	18.033823
"336581"	533.9798495	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+H+NH4"	19.041099
"724629"	796.2094995	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+H+NH4"	19.041099
"1488301"	271.7501995	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H+NH4"	19.041099
"404790"	1071.907818	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+Na"	22.989218
"761411"	1596.367118	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+Na"	22.989218
"1611698"	547.448518	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Na"	22.989218
"319547"	536.457547	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+H+Na"	23.996494
"720360"	798.687197	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+H+Na"	23.996494
"1469076"	274.227897	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H+Na"	23.996494
"1065608"	183.154356666667	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2H+Na"	25.00377
"1267288"	557.492786	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+CH3OH+H"	33.033486
"390235"	1087.881758	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+K"	38.963158
"751231"	1612.341058	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+K"	38.963158
"1551826"	563.422458	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+K"	38.963158
"310456"	544.444517	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+H+K"	39.970434
"701783"	806.674167	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+H+K"	39.970434
"1453418"	282.214867	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H+K"	39.970434
"244207"	1090.952426	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+ACN+H"	42.033826
"1220200"	566.493126	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+ACN+H"	42.033826
"1200800"	283.750201	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+ACN+2H"	43.041102
"190144"	1093.88976	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+2Na-H"	44.97116
"638697"	1618.34906	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+2Na-H"	44.97116
"1143296"	569.43046	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2Na-H"	44.97116
"183306"	547.448518	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+2Na"	45.978436
"617404"	809.678168	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+2Na"	45.978436
"1123095"	285.218868	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2Na"	45.978436
"1405528"	190.481670666667	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H+2Na"	46.985712
"1432540"	571.472046	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H+HCOOH"	47.012746
"224059"	552.48154	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+3H2O+2H"	56.04448
"1514307"	585.52409	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+IsoProp+H"	61.06479
"409739"	555.435488	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+Na+K"	61.952376
"770977"	817.665138	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+Na+K"	61.952376
"1668040"	293.205838	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Na+K"	61.952376
"252611"	1112.934368	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+ACN+Na"	64.015768
"1227264"	588.475068	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+ACN+Na"	64.015768
"1713717"	588.498593	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+NH4+HCOOH"	64.039293
"1185887"	197.808984666667	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+3Na"	68.967654
"1657966"	593.453988	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Na+HCOOH"	68.994688
"165922"	1125.83764	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+2K-H"	76.91904
"608764"	1650.29694	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+2K-H"	76.91904
"1091090"	601.37834	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2K-H"	76.91904
"149000"	563.422458	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"2M+2K"	77.926316
"592938"	825.652108	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"3M+2K"	77.926316
"1080003"	301.192808	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2K"	77.926316
"1110298"	603.392892	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2K+H"	78.933592
"1347046"	603.480507	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+DMSO+H"	79.021207
"1014483"	607.519676	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2ACN+H"	83.060376
"1533700"	608.513308	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+IsoProp+Na+H"	84.054008
"1001241"	304.263476	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+2ACN+2H"	84.067652
"1600850"	609.427928	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+K+HCOOH"	84.968628
"1429059"	639.459438	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+H+CF3COOH"	115.000138
"1161167"	324.776751	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+3ACN+2H"	125.094202
"1700146"	656.485985	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+NH4+CF3COOH"	132.026685
"1636891"	661.44138	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+Na+CF3COOH"	136.98208
"1581292"	677.41532	"C03455"	"11-cis-Retinyl palmitate"	"C36H60O2"	"524.4593"	"M+K+CF3COOH"	152.95602
"808382"	127.0269	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M"	0
"987388"	108.00851	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-H2O-H"	-19.01839
"74537"	83.677324	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M-3H"	-3.021828
"513005"	126.019624	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M-3H"	-3.021828
"890808"	41.335024	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-3H"	-3.021828
"9381"	126.019624	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M-2H"	-2.014552
"448942"	189.533074	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M-2H"	-2.014552
"828931"	62.506174	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-2H"	-2.014552
"81268"	253.046524	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M-H"	-1.007276
"526294"	380.073424	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M-H"	-1.007276
"903004"	126.019624	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-H"	-1.007276
"56286"	270.073071	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M-2H+NH4"	16.019271
"493658"	397.099971	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M-2H+NH4"	16.019271
"873648"	143.046171	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-2H+NH4"	16.019271
"38273"	275.028466	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M-2H+Na"	20.974666
"472360"	402.055366	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M-2H+Na"	20.974666
"858912"	148.001566	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-2H+Na"	20.974666
"1628445"	148.001566	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Na-2H"	20.974666
"102786"	144.007963	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M-H+Cl"	33.962126
"535305"	207.521413	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M-H+Cl"	33.962126
"928211"	80.494513	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-H+Cl"	33.962126
"270048"	289.023202	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+Cl"	34.969402
"661742"	416.050102	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+Cl"	34.969402
"1274144"	161.996302	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Cl"	34.969402
"17793"	291.002406	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M-2H+K"	36.948606
"456990"	418.029306	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M-2H+K"	36.948606
"833089"	163.975506	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-2H+K"	36.948606
"1556206"	163.975506	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+K-2H"	36.948606
"950541"	172.025094	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-H+HCOOH"	44.998194
"366568"	299.052001	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+HCOOH-H"	44.998201
"346436"	313.067651	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+Hac-H"	59.013851
"1493322"	186.040751	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Hac-H"	59.013851
"959531"	194.007051	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-H+NaCOOH"	66.980151
"110273"	161.996302	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+2Cl"	69.938804
"550102"	225.509752	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+2Cl"	69.938804
"1021696"	98.482852	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2Cl"	69.938804
"1243306"	205.945785	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Br"	78.918885
"1305761"	208.001772	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Cl+HCOOH"	80.974872
"1326903"	229.983729	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Cl+NaCOOH"	102.956829
"921243"	240.012486	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M-H+CF3COOH"	112.985586
"1301962"	275.989164	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Cl+CF3COOH"	148.962264
"1381217"	92.014224	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H-2H2O"	-35.012676
"1392517"	110.0242	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H-H2O"	-17.0027
"286739"	255.061076	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+H"	1.007276
"676973"	382.087976	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+H"	1.007276
"1354419"	128.034176	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H"	1.007276
"131683"	128.034176	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+2H"	2.014552
"571241"	191.547626	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+2H"	2.014552
"1041133"	64.520726	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2H"	2.014552
"212315"	85.691876	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+3H"	3.021828
"652971"	128.034176	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+3H"	3.021828
"1167451"	43.349576	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+3H"	3.021828
"429994"	272.087623	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+NH4"	18.033823
"788072"	399.114523	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+NH4"	18.033823
"1682216"	145.060723	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+NH4"	18.033823
"345566"	136.5474495	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+H+NH4"	19.041099
"734594"	200.0608995	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+H+NH4"	19.041099
"1484038"	73.0339995	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H+NH4"	19.041099
"406001"	277.043018	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+Na"	22.989218
"756424"	404.069918	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+Na"	22.989218
"1615825"	150.016118	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Na"	22.989218
"321852"	139.025147	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+H+Na"	23.996494
"720111"	202.538597	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+H+Na"	23.996494
"1473565"	75.511697	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H+Na"	23.996494
"1062441"	50.67689	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2H+Na"	25.00377
"1268854"	160.060386	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+CH3OH+H"	33.033486
"389252"	293.016958	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+K"	38.963158
"751703"	420.043858	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+K"	38.963158
"1552296"	165.990058	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+K"	38.963158
"309470"	147.012117	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+H+K"	39.970434
"701892"	210.525567	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+H+K"	39.970434
"1452435"	83.498667	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H+K"	39.970434
"245412"	296.087626	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+ACN+H"	42.033826
"1218120"	169.060726	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+ACN+H"	42.033826
"1203095"	85.034001	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+ACN+2H"	43.041102
"195965"	299.02496	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+2Na-H"	44.97116
"634432"	426.05186	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+2Na-H"	44.97116
"1139039"	171.99806	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2Na-H"	44.97116
"183419"	150.016118	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+2Na"	45.978436
"616055"	213.529568	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+2Na"	45.978436
"1118101"	86.502668	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2Na"	45.978436
"1400169"	58.004204	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H+2Na"	46.985712
"1431192"	174.039646	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H+HCOOH"	47.012746
"222347"	155.04914	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+3H2O+2H"	56.04448
"1511870"	188.09169	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+IsoProp+H"	61.06479
"409727"	158.003088	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+Na+K"	61.952376
"771209"	221.516538	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+Na+K"	61.952376
"1667054"	94.489638	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Na+K"	61.952376
"251867"	318.069568	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+ACN+Na"	64.015768
"1231762"	191.042668	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+ACN+Na"	64.015768
"1721740"	191.066193	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+NH4+HCOOH"	64.039293
"1189281"	65.331518	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+3Na"	68.967654
"1658079"	196.021588	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Na+HCOOH"	68.994688
"167129"	330.97284	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+2K-H"	76.91904
"607419"	457.99974	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+2K-H"	76.91904
"1094480"	203.94594	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2K-H"	76.91904
"143641"	165.990058	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"2M+2K"	77.926316
"594139"	229.503508	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"3M+2K"	77.926316
"1078655"	102.476608	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2K"	77.926316
"1109678"	205.960492	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2K+H"	78.933592
"1346062"	206.048107	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+DMSO+H"	79.021207
"1014592"	210.087276	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2ACN+H"	83.060376
"1532717"	211.080908	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+IsoProp+Na+H"	84.054008
"1001349"	105.547276	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+2ACN+2H"	84.067652
"1599132"	211.995528	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+K+HCOOH"	84.968628
"1426981"	242.027038	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+H+CF3COOH"	115.000138
"1155080"	126.060551	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+3ACN+2H"	125.094202
"1705726"	259.053585	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+NH4+CF3COOH"	132.026685
"1648672"	264.00898	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+Na+CF3COOH"	136.98208
"1581405"	279.98292	"C03458"	"236-Trihydroxypyridine"	"C5H5NO3"	"127.0269"	"M+K+CF3COOH"	152.95602
"808492"	148.0008	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M"	0
"987499"	128.98241	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-H2O-H"	-19.01839
"73554"	97.659924	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M-3H"	-3.021828
"512022"	146.993524	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M-3H"	-3.021828
"892011"	48.326324	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-3H"	-3.021828
"12408"	146.993524	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M-2H"	-2.014552
"447959"	220.993924	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M-2H"	-2.014552
"827948"	72.993124	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-2H"	-2.014552
"83565"	294.994324	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M-H"	-1.007276
"524216"	442.995124	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M-H"	-1.007276
"903115"	146.993524	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-H"	-1.007276
"57490"	312.020871	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M-2H+NH4"	16.019271
"495955"	460.021671	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M-2H+NH4"	16.019271
"872665"	164.020071	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-2H+NH4"	16.019271
"38383"	316.976266	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M-2H+Na"	20.974666
"476844"	464.977066	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M-2H+Na"	20.974666
"859021"	168.975466	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-2H+Na"	20.974666
"1624180"	168.975466	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Na-2H"	20.974666
"101803"	164.981863	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M-H+Cl"	33.962126
"538090"	238.982263	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M-H+Cl"	33.962126
"930507"	90.981463	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-H+Cl"	33.962126
"270522"	330.971002	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+Cl"	34.969402
"662946"	478.971802	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+Cl"	34.969402
"1275712"	182.970202	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Cl"	34.969402
"17903"	332.950206	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M-2H+K"	36.948606
"457100"	480.951006	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M-2H+K"	36.948606
"833237"	184.949406	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-2H+K"	36.948606
"1555910"	184.949406	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+K-2H"	36.948606
"948465"	192.998994	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-H+HCOOH"	44.998194
"365220"	340.999801	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+HCOOH-H"	44.998201
"346182"	355.015451	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+Hac-H"	59.013851
"1493923"	207.014651	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Hac-H"	59.013851
"959641"	214.980951	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-H+NaCOOH"	66.980151
"111465"	182.970202	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+2Cl"	69.938804
"552118"	256.970602	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+2Cl"	69.938804
"1021726"	108.969802	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2Cl"	69.938804
"1244515"	226.919685	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Br"	78.918885
"1306598"	228.975672	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Cl+HCOOH"	80.974872
"1322270"	250.957629	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Cl+NaCOOH"	102.956829
"912237"	260.986386	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M-H+CF3COOH"	112.985586
"1303044"	296.963064	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Cl+CF3COOH"	148.962264
"1381692"	112.988124	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H-2H2O"	-35.012676
"1395907"	130.9981	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H-H2O"	-17.0027
"292318"	297.008876	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+H"	1.007276
"677084"	445.009676	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+H"	1.007276
"1355624"	149.008076	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H"	1.007276
"129605"	149.008076	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+2H"	2.014552
"569528"	223.008476	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+2H"	2.014552
"1042338"	75.007676	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2H"	2.014552
"211333"	99.674476	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+3H"	3.021828
"651988"	149.008076	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+3H"	3.021828
"1167925"	50.340876	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+3H"	3.021828
"427918"	314.035423	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+NH4"	18.033823
"786845"	462.036223	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+NH4"	18.033823
"1682204"	166.034623	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+NH4"	18.033823
"343377"	157.5213495	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+H+NH4"	19.041099
"734704"	231.5217495	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+H+NH4"	19.041099
"1480869"	83.5209495	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H+NH4"	19.041099
"402831"	318.990818	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+Na"	22.989218
"756291"	466.991618	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+Na"	22.989218
"1614113"	170.990018	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Na"	22.989218
"321962"	159.999047	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+H+Na"	23.996494
"717666"	233.999447	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+H+Na"	23.996494
"1472583"	85.998647	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H+Na"	23.996494
"1062551"	57.66819	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2H+Na"	25.00377
"1265686"	181.034286	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+CH3OH+H"	33.033486
"387540"	334.964758	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+K"	38.963158
"750720"	482.965558	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+K"	38.963158
"1549125"	186.963958	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+K"	38.963158
"310674"	167.986017	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+H+K"	39.970434
"697626"	241.986417	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+H+K"	39.970434
"1457280"	93.985617	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H+K"	39.970434
"244426"	338.035426	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+ACN+H"	42.033826
"1220053"	190.034626	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+ACN+H"	42.033826
"1202111"	95.520951	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+ACN+2H"	43.041102
"192795"	340.97276	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+2Na-H"	44.97116
"630895"	488.97356	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+2Na-H"	44.97116
"1141700"	192.97196	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2Na-H"	44.97116
"182436"	170.990018	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+2Na"	45.978436
"615438"	244.990418	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+2Na"	45.978436
"1116067"	96.989618	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2Na"	45.978436
"1400280"	64.995504	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H+2Na"	46.985712
"1431667"	195.013546	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H+HCOOH"	47.012746
"222093"	176.02304	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+3H2O+2H"	56.04448
"1511252"	209.06559	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+IsoProp+H"	61.06479
"409836"	178.976988	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+Na+K"	61.952376
"771929"	252.977388	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+Na+K"	61.952376
"1666438"	104.976588	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Na+K"	61.952376
"253316"	360.017368	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+ACN+Na"	64.015768
"1230779"	212.016568	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+ACN+Na"	64.015768
"1719663"	212.040093	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+NH4+HCOOH"	64.039293
"1186111"	72.322818	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+3Na"	68.967654
"1661470"	216.995488	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Na+HCOOH"	68.994688
"167240"	372.92064	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+2K-H"	76.91904
"606800"	520.92144	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+2K-H"	76.91904
"1093498"	224.91984	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2K-H"	76.91904
"150316"	186.963958	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"2M+2K"	77.926316
"592063"	260.964358	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"3M+2K"	77.926316
"1076578"	112.963558	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2K"	77.926316
"1110517"	226.934392	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2K+H"	78.933592
"1343985"	227.022007	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+DMSO+H"	79.021207
"1014702"	231.061176	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2ACN+H"	83.060376
"1530641"	232.054808	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+IsoProp+Na+H"	84.054008
"1001459"	116.034226	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+2ACN+2H"	84.067652
"1597055"	232.969428	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+K+HCOOH"	84.968628
"1421622"	263.000938	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+H+CF3COOH"	115.000138
"1151910"	136.547501	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+3ACN+2H"	125.094202
"1705836"	280.027485	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+NH4+CF3COOH"	132.026685
"1648418"	284.98288	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+Na+CF3COOH"	136.98208
"1581515"	300.95682	"C03459"	"2-Hydroxy-3-oxosuccinate;Oxaloglycolate"	"C4H4O6"	"148.0008"	"M+K+CF3COOH"	152.95602
"808602"	835.1414	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M"	0
"989313"	816.12301	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H2O-H"	-19.01839
"76945"	555.753657333333	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-3H"	-3.021828
"514319"	834.134124	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-3H"	-3.021828
"892849"	277.373190666667	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-3H"	-3.021828
"11788"	834.134124	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H"	-2.014552
"450255"	1251.704824	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H"	-2.014552
"828787"	416.563424	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H"	-2.014552
"83675"	1669.275524	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H"	-1.007276
"523233"	2504.416924	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H"	-1.007276
"904318"	834.134124	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H"	-1.007276
"58693"	1686.302071	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+NH4"	16.019271
"496065"	2521.443471	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+NH4"	16.019271
"871679"	851.160671	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+NH4"	16.019271
"39587"	1691.257466	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+Na"	20.974666
"478048"	2526.398866	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+Na"	20.974666
"858038"	856.116066	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+Na"	20.974666
"1626477"	856.116066	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na-2H"	20.974666
"100821"	852.122463	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H+Cl"	33.962126
"540387"	1269.693163	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H+Cl"	33.962126
"934994"	434.551763	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+Cl"	33.962126
"273915"	1705.252202	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Cl"	34.969402
"668524"	2540.393602	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Cl"	34.969402
"1281291"	870.110802	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl"	34.969402
"23845"	1707.231406	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+K"	36.948606
"456560"	2542.372806	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+K"	36.948606
"836834"	872.090006	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+K"	36.948606
"1556676"	872.090006	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K-2H"	36.948606
"948575"	880.139594	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+HCOOH"	44.998194
"365329"	1715.281001	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+HCOOH-H"	44.998201
"346658"	1729.296651	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Hac-H"	59.013851
"1496221"	894.155251	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Hac-H"	59.013851
"962304"	902.121551	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+NaCOOH"	66.980151
"113762"	870.110802	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Cl"	69.938804
"554051"	1287.681502	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Cl"	69.938804
"1023945"	452.540102	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Cl"	69.938804
"1247174"	914.060285	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Br"	78.918885
"1306343"	916.116272	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+HCOOH"	80.974872
"1324932"	938.098229	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+NaCOOH"	102.956829
"914534"	948.126986	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+CF3COOH"	112.985586
"1304055"	984.103664	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+CF3COOH"	148.962264
"1382713"	800.128724	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-2H2O"	-35.012676
"1394924"	818.1387	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-H2O"	-17.0027
"288052"	1671.290076	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H"	1.007276
"682660"	2506.431476	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H"	1.007276
"1359014"	836.148676	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H"	1.007276
"131902"	836.148676	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2H"	2.014552
"568909"	1253.719376	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2H"	2.014552
"1042448"	418.577976	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H"	2.014552
"212537"	557.768209333333	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H"	3.021828
"653192"	836.148676	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+3H"	3.021828
"1169132"	279.387742666667	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3H"	3.021828
"430216"	1688.316623	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+NH4"	18.033823
"791208"	2523.458023	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+NH4"	18.033823
"1687539"	853.175223	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4"	18.033823
"340197"	844.6619495	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+NH4"	19.041099
"732625"	1262.2326495	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+NH4"	19.041099
"1483166"	427.0912495	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+NH4"	19.041099
"404034"	1693.272018	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na"	22.989218
"762841"	2528.413418	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na"	22.989218
"1612036"	858.130618	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na"	22.989218
"324259"	847.139647	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+Na"	23.996494
"716684"	1264.710347	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+Na"	23.996494
"1471237"	429.568947	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+Na"	23.996494
"1060476"	286.715056666667	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H+Na"	25.00377
"1264340"	868.174886	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+CH3OH+H"	33.033486
"385100"	1709.245958	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+K"	38.963158
"748279"	2544.387358	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+K"	38.963158
"1549236"	874.104558	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K"	38.963158
"308599"	855.126617	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+K"	39.970434
"697736"	1272.697317	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+K"	39.970434
"1456297"	437.555917	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+K"	39.970434
"243443"	1712.316626	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+H"	42.033826
"1218341"	877.175226	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+H"	42.033826
"1201128"	439.091251	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+2H"	43.041102
"193999"	1715.25396	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na-H"	44.97116
"631737"	2550.39536	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na-H"	44.97116
"1142175"	880.11256	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na-H"	44.97116
"184733"	858.130618	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na"	45.978436
"622108"	1275.701318	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na"	45.978436
"1117594"	440.559918	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na"	45.978436
"1401483"	294.042370666667	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+2Na"	46.985712
"1433599"	882.154146	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+HCOOH"	47.012746
"226575"	863.16364	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H2O+2H"	56.04448
"1513549"	896.20619	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+H"	61.06479
"411409"	866.117588	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na+K"	61.952376
"775319"	1283.688288	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na+K"	61.952376
"1671650"	448.546888	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+K"	61.952376
"257072"	1734.298568	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+Na"	64.015768
"1230524"	899.157168	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+Na"	64.015768
"1716128"	899.180693	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+HCOOH"	64.039293
"1183669"	301.369684666667	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3Na"	68.967654
"1657936"	904.136088	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+HCOOH"	68.994688
"160790"	1747.20184	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K-H"	76.91904
"600352"	2582.34324	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K-H"	76.91904
"1088141"	912.06044	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K-H"	76.91904
"146054"	874.104558	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K"	77.926316
"587800"	1291.675258	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K"	77.926316
"1073407"	456.533858	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K"	77.926316
"1104431"	914.074992	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K+H"	78.933592
"1336317"	914.162607	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+DMSO+H"	79.021207
"1009344"	918.201776	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+H"	83.060376
"1528562"	919.195408	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+Na+H"	84.054008
"998290"	459.604526	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+2H"	84.067652
"1598259"	920.110028	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+HCOOH"	84.968628
"1420639"	950.141538	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+CF3COOH"	115.000138
"1153113"	480.117801	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3ACN+2H"	125.094202
"1705946"	967.168085	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+CF3COOH"	132.026685
"1647069"	972.12348	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+CF3COOH"	136.98208
"1581625"	988.09742	"C03460"	"2-Methylprop-2-enoyl-CoA;Methacrylyl-CoA;Methylacrylyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+CF3COOH"	152.95602
"806525"	220.1827	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M"	0
"989541"	201.16431	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"77055"	145.781190666667	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"515523"	219.175424	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"893322"	72.3869573333333	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"12991"	219.175424	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"452552"	329.266774	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"829261"	109.084074	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"85972"	439.358124	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"528810"	659.540824	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"907708"	219.175424	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"59896"	456.384671	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"497268"	676.567371	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"872882"	236.201971	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"41884"	461.340066	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"477064"	681.522766	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"859240"	241.157366	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1626587"	241.157366	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"105305"	237.163763	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"542684"	347.255113	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"937290"	127.072413	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"275117"	475.334802	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"670457"	695.517502	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1283952"	255.152102	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"23225"	477.314006	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"460236"	697.496706	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"834027"	257.131306	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1557151"	257.131306	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"944065"	265.180894	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"362277"	485.363601	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"346767"	499.379251	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1494871"	279.196551	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"959862"	287.162851	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"114237"	255.152102	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"554525"	365.243452	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1021865"	145.060752	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1244004"	299.101585	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1310830"	301.157572	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1327233"	323.139529	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"924854"	333.168286	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1304120"	369.144964	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1382582"	185.170024	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1398072"	203.18	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"288162"	441.372676	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"682769"	661.555376	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1360216"	221.189976	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H"	1.007276
"132012"	221.189976	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"572667"	331.281326	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1044744"	111.098626	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"213740"	147.795742666667	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"656220"	221.189976	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1167055"	74.4015093333333	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"430327"	458.399223	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"793509"	678.581923	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1689841"	238.216523	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"339214"	229.7032495	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"731642"	339.7945995	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1482182"	119.6118995	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"401957"	463.354618	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"761857"	683.537318	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1609959"	243.171918	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"318902"	232.180947	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"716794"	342.272297	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1468429"	122.089597	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1060583"	81.7288233333333	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1263356"	253.216186	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"383024"	479.328558	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"746203"	699.511258	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1550440"	259.145858	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+K"	38.963158
"308710"	240.167917	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"702223"	350.259267	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1456043"	130.076567	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"243553"	482.399226	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1216262"	262.216526	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1201238"	131.611901	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"194111"	485.33656	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"634765"	705.51926	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1143740"	265.15386	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"182656"	243.171918	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"623311"	353.263268	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1121352"	133.080568	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1400864"	89.0561373333333	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1436989"	267.195446	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"227780"	248.20494	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1511832"	281.24749	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"411154"	251.158888	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"772515"	361.250238	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1667387"	141.067538	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"253538"	504.381168	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1226988"	284.198468	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1716969"	284.221993	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1182325"	96.3834513333333	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1654040"	289.177388	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"163086"	517.28444	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"602650"	737.46714	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1087160"	297.10174	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"149443"	259.145858	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"587910"	369.237208	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1072427"	149.054508	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1106728"	299.116292	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1336668"	299.203907	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1012734"	303.243076	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1526486"	304.236708	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"998400"	152.125176	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1597276"	305.151328	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1422934"	335.182838	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1153223"	172.638451	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1706056"	352.209385	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1647179"	357.16478	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1581735"	373.13872	"C03461"	"2-trans6-trans-Farnesal;transtrans-Farnesal;Farnesal;(2E6E)-3711-Trimethyl-2610-dodecatrienal;(2E6E)-Farnesal"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"805542"	910.3182	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M"	0
"989164"	891.29981	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-H2O-H"	-19.01839
"73884"	605.871524	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M-3H"	-3.021828
"513444"	909.310924	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M-3H"	-3.021828
"891244"	302.432124	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-3H"	-3.021828
"13097"	909.310924	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M-2H"	-2.014552
"448282"	1364.470024	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M-2H"	-2.014552
"828275"	454.151824	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-2H"	-2.014552
"89361"	1819.629124	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M-H"	-1.007276
"524546"	2729.947324	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M-H"	-1.007276
"907818"	909.310924	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-H"	-1.007276
"57819"	1836.655671	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M-2H+NH4"	16.019271
"498471"	2746.973871	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M-2H+NH4"	16.019271
"875180"	926.337471	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-2H+NH4"	16.019271
"43087"	1841.611066	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M-2H+Na"	20.974666
"477174"	2751.929266	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M-2H+Na"	20.974666
"859350"	931.292866	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-2H+Na"	20.974666
"1626696"	931.292866	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Na-2H"	20.974666
"107601"	927.299263	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M-H+Cl"	33.962126
"542794"	1382.458363	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M-H+Cl"	33.962126
"939586"	472.140163	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-H+Cl"	33.962126
"274863"	1855.605802	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+Cl"	34.969402
"671660"	2765.924002	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+Cl"	34.969402
"1284062"	945.287602	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Cl"	34.969402
"27712"	1857.585006	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M-2H+K"	36.948606
"457795"	2767.903206	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M-2H+K"	36.948606
"834864"	947.266806	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-2H+K"	36.948606
"1557626"	947.266806	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+K-2H"	36.948606
"942962"	955.316394	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-H+HCOOH"	44.998194
"361539"	1865.634601	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+HCOOH-H"	44.998201
"346228"	1879.650251	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+Hac-H"	59.013851
"1493886"	969.332051	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Hac-H"	59.013851
"959606"	977.298351	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-H+NaCOOH"	66.980151
"112887"	945.287602	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+2Cl"	69.938804
"550991"	1400.446702	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+2Cl"	69.938804
"1023435"	490.128502	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2Cl"	69.938804
"1243022"	989.237085	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Br"	78.918885
"1305836"	991.293072	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Cl+HCOOH"	80.974872
"1322970"	1013.275029	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Cl+NaCOOH"	102.956829
"922778"	1023.303786	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M-H+CF3COOH"	112.985586
"1303742"	1059.280464	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Cl+CF3COOH"	148.962264
"1382387"	875.305524	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H-2H2O"	-35.012676
"1392957"	893.3155	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H-H2O"	-17.0027
"289366"	1821.643676	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+H"	1.007276
"682880"	2731.961876	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+H"	1.007276
"1363606"	911.325476	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H"	1.007276
"136495"	911.325476	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+2H"	2.014552
"572777"	1366.484576	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+2H"	2.014552
"1044854"	456.166376	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2H"	2.014552
"211661"	607.886076	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+3H"	3.021828
"658154"	911.325476	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+3H"	3.021828
"1175913"	304.446676	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+3H"	3.021828
"431531"	1838.670223	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+NH4"	18.033823
"792526"	2748.988423	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+NH4"	18.033823
"1689949"	928.352023	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+NH4"	18.033823
"339320"	919.8387495	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+H+NH4"	19.041099
"731740"	1374.9978495	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+H+NH4"	19.041099
"1486665"	464.6796495	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H+NH4"	19.041099
"405349"	1843.625618	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+Na"	22.989218
"766344"	2753.943818	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+Na"	22.989218
"1614446"	933.307418	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Na"	22.989218
"324483"	922.316447	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+H+Na"	23.996494
"717635"	1377.475547	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+H+Na"	23.996494
"1470729"	467.157347	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H+Na"	23.996494
"1063976"	311.77399	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2H+Na"	25.00377
"1266748"	943.351686	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+CH3OH+H"	33.033486
"389696"	1859.599558	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+K"	38.963158
"749595"	2769.917758	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+K"	38.963158
"1548365"	949.281358	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+K"	38.963158
"309913"	930.303417	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+H+K"	39.970434
"702335"	1385.462517	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+H+K"	39.970434
"1453968"	475.144317	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H+K"	39.970434
"244758"	1862.670226	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+ACN+H"	42.033826
"1215279"	952.352026	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+ACN+H"	42.033826
"1200256"	476.679651	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+ACN+2H"	43.041102
"197501"	1865.60756	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+2Na-H"	44.97116
"641436"	2775.92576	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+2Na-H"	44.97116
"1145311"	955.28936	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2Na-H"	44.97116
"182767"	933.307418	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+2Na"	45.978436
"625608"	1388.466518	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+2Na"	45.978436
"1120734"	478.148318	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2Na"	45.978436
"1401704"	319.101304	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H+2Na"	46.985712
"1433820"	957.330946	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H+HCOOH"	47.012746
"225704"	938.34044	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+3H2O+2H"	56.04448
"1514860"	971.38299	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+IsoProp+H"	61.06479
"410899"	941.294388	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+Na+K"	61.952376
"772259"	1396.453488	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+Na+K"	61.952376
"1665686"	486.135288	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Na+K"	61.952376
"251944"	1884.652168	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+ACN+Na"	64.015768
"1233296"	974.333968	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+ACN+Na"	64.015768
"1718907"	974.357493	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+NH4+HCOOH"	64.039293
"1188631"	326.428618	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+3Na"	68.967654
"1656336"	979.312888	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Na+HCOOH"	68.994688
"165384"	1897.55544	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+2K-H"	76.91904
"607861"	2807.87364	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+2K-H"	76.91904
"1090550"	987.23724	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2K-H"	76.91904
"150647"	949.281358	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"2M+2K"	77.926316
"590207"	1404.440458	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"3M+2K"	77.926316
"1071439"	494.122258	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2K"	77.926316
"1111209"	989.251792	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2K+H"	78.933592
"1344315"	989.339407	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+DMSO+H"	79.021207
"1015029"	993.378576	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2ACN+H"	83.060376
"1526596"	994.372208	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+IsoProp+Na+H"	84.054008
"998510"	497.192926	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+2ACN+2H"	84.067652
"1597386"	995.286828	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+K+HCOOH"	84.968628
"1424137"	1025.318338	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+H+CF3COOH"	115.000138
"1153333"	517.706201	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+3ACN+2H"	125.094202
"1706166"	1042.344885	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+NH4+CF3COOH"	132.026685
"1646196"	1047.30028	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+Na+CF3COOH"	136.98208
"1581845"	1063.27422	"C03462"	"3-Adenylylstreptomycin"	"C31H51N12O18P"	"910.3182"	"M+K+CF3COOH"	152.95602
"815744"	130.063	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M"	0
"986845"	111.04461	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"71807"	85.7013906666667	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"511368"	129.055724	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"891355"	42.3470573333333	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"9929"	129.055724	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"448396"	194.087224	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"824012"	64.024224	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"87283"	259.118724	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"524659"	389.181724	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"904648"	129.055724	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"55741"	276.145271	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"493114"	406.208271	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"865449"	146.082271	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"42099"	281.100666	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"482753"	411.163666	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"859460"	151.037666	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1622433"	151.037666	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"102249"	147.044063	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"540715"	212.075563	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"934229"	82.012563	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"279347"	295.095402	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"668489"	425.158402	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1284172"	165.032402	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"20535"	297.074606	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"458635"	427.137606	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"834977"	167.011606	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1559933"	167.011606	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"943803"	175.061194	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"362500"	305.124201	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"346054"	319.139851	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1494240"	189.076851	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"958986"	197.043151	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"111052"	165.032402	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"551829"	230.063902	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1025015"	100.000902	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1254074"	208.981885	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1315429"	211.037872	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1327460"	233.019829	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"919610"	243.048586	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1298506"	279.025264	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1373386"	95.050324	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1396721"	113.0603	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"297136"	261.133276	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"689558"	391.196276	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1361532"	131.070276	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H"	1.007276
"138803"	131.070276	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"579448"	196.101776	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1046060"	66.038776	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"212866"	87.7159426666667	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"653527"	131.070276	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1177733"	44.3616093333333	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"436752"	278.159823	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"798110"	408.222823	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1693345"	148.096823	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"342716"	139.5835495	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"735508"	204.6150495	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1488237"	74.5520495	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"406189"	283.115218	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"764266"	413.178218	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1614556"	153.052218	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"327875"	142.061247	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"719204"	207.092747	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1469743"	77.029747	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1066269"	51.6889233333333	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1272201"	163.096486	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"389803"	299.089158	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"750798"	429.152158	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1551755"	169.026158	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+K"	38.963158
"310025"	150.048217	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"703540"	215.079717	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1456267"	85.016717	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"245961"	302.159826	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1217577"	172.096826	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1205835"	86.552051	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"202475"	305.09716	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"642765"	435.16016	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1145054"	175.03416	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"186889"	153.052218	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"619526"	218.083718	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1120844"	88.020718	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1401450"	59.0162373333333	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1435389"	177.075746	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"231281"	158.08524	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1515335"	191.12779	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"414658"	161.039188	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"772735"	226.070688	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1670890"	96.007688	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"260699"	324.141768	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1237057"	194.078768	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1724483"	194.102293	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1190930"	66.3435513333333	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1661921"	199.057688	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"167687"	337.04504	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"607242"	467.10804	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1095766"	206.98204	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"149666"	169.026158	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"591780"	234.057658	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1081393"	103.994658	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1109134"	208.996592	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1344425"	209.084207	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1019882"	213.123376	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1539101"	214.117008	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1001902"	107.065326	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1594217"	215.031628	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1423158"	245.063138	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1157821"	127.578601	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1705189"	262.089685	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1644118"	267.04508	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1575395"	283.01902	"C03465"	"3-Methyl-2-oxopentanoate;2-Oxo-3-methylvalerate"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"812327"	849.1571	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M"	0
"985859"	830.13871	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H2O-H"	-19.01839
"71914"	565.097457333333	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-3H"	-3.021828
"512569"	848.149824	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-3H"	-3.021828
"887089"	282.045090666667	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-3H"	-3.021828
"7852"	848.149824	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H"	-2.014552
"446317"	1272.728374	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H"	-2.014552
"824122"	423.571274	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H"	-2.014552
"85205"	1697.306924	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H"	-1.007276
"524769"	2546.464024	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H"	-1.007276
"904758"	848.149824	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H"	-1.007276
"55851"	1714.333471	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+NH4"	16.019271
"493224"	2563.490571	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+NH4"	16.019271
"865193"	865.176371	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+NH4"	16.019271
"42209"	1719.288866	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+Na"	20.974666
"481770"	2568.445966	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+Na"	20.974666
"858477"	870.131766	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+Na"	20.974666
"1623636"	870.131766	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na-2H"	20.974666
"102359"	866.138163	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-H+Cl"	33.962126
"540825"	1290.716713	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-H+Cl"	33.962126
"935432"	441.559613	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+Cl"	33.962126
"272897"	1733.283602	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Cl"	34.969402
"666412"	2582.440702	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Cl"	34.969402
"1283187"	884.126502	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl"	34.969402
"16998"	1735.262806	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M-2H+K"	36.948606
"458016"	2584.419906	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M-2H+K"	36.948606
"835453"	886.105706	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-2H+K"	36.948606
"1555826"	886.105706	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K-2H"	36.948606
"943914"	894.155294	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+HCOOH"	44.998194
"361877"	1743.312401	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+HCOOH-H"	44.998201
"346732"	1757.328051	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Hac-H"	59.013851
"1494835"	908.170951	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Hac-H"	59.013851
"959825"	916.137251	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+NaCOOH"	66.980151
"111035"	884.126502	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Cl"	69.938804
"554126"	1308.705052	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Cl"	69.938804
"1022925"	459.547952	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Cl"	69.938804
"1254184"	928.075985	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Br"	78.918885
"1316632"	930.131972	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+HCOOH"	80.974872
"1327570"	952.113929	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+NaCOOH"	102.956829
"916440"	962.142686	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M-H+CF3COOH"	112.985586
"1294242"	998.119364	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Cl+CF3COOH"	148.962264
"1370216"	814.144424	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-2H2O"	-35.012676
"1396466"	832.1544	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H-H2O"	-17.0027
"297732"	1699.321476	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H"	1.007276
"690275"	2548.478576	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H"	1.007276
"1361642"	850.164376	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H"	1.007276
"139277"	850.164376	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2H"	2.014552
"579194"	1274.742926	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2H"	2.014552
"1045077"	425.585826	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H"	2.014552
"212976"	567.112009333333	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H"	3.021828
"653637"	850.164376	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+3H"	3.021828
"1169575"	284.059642666667	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3H"	3.021828
"436496"	1716.348023	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+NH4"	18.033823
"798584"	2565.505123	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+NH4"	18.033823
"1692362"	867.190923	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4"	18.033823
"339546"	858.6776495	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+NH4"	19.041099
"736838"	1283.2561995	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+NH4"	19.041099
"1489078"	434.0990995	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+NH4"	19.041099
"406664"	1721.303418	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na"	22.989218
"766569"	2570.460518	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na"	22.989218
"1616492"	872.146318	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na"	22.989218
"328594"	861.155347	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+Na"	23.996494
"720044"	1285.733897	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+Na"	23.996494
"1474228"	436.576797	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+Na"	23.996494
"1068409"	291.386956666667	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2H+Na"	25.00377
"1271340"	882.190586	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+CH3OH+H"	33.033486
"390642"	1737.277358	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+K"	38.963158
"753096"	2586.434458	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+K"	38.963158
"1554054"	888.120258	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K"	38.963158
"310136"	869.142317	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+H+K"	39.970434
"703651"	1293.720867	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+H+K"	39.970434
"1455284"	444.563767	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+K"	39.970434
"243885"	1740.348026	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+H"	42.033826
"1216594"	891.190926	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+H"	42.033826
"1204852"	446.099101	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+2H"	43.041102
"201856"	1743.28536	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na-H"	44.97116
"642631"	2592.44246	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na-H"	44.97116
"1144072"	894.12826	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na-H"	44.97116
"185176"	872.146318	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2Na"	45.978436
"622555"	1296.724868	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2Na"	45.978436
"1119862"	447.567768	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2Na"	45.978436
"1401924"	298.714270666667	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+2Na"	46.985712
"1431852"	896.169846	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+HCOOH"	47.012746
"221425"	877.17934	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+3H2O+2H"	56.04448
"1512528"	910.22189	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+H"	61.06479
"415861"	880.133288	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+Na+K"	61.952376
"775763"	1304.711838	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+Na+K"	61.952376
"1670270"	455.554738	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+K"	61.952376
"259717"	1762.329968	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+ACN+Na"	64.015768
"1237894"	913.172868	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+ACN+Na"	64.015768
"1726780"	913.196393	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+HCOOH"	64.039293
"1193106"	306.041584666667	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3Na"	68.967654
"1662030"	918.151788	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+HCOOH"	68.994688
"169255"	1775.23324	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K-H"	76.91904
"605166"	2624.39034	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K-H"	76.91904
"1095147"	926.07614	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K-H"	76.91904
"148683"	888.120258	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"2M+2K"	77.926316
"591524"	1312.698808	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"3M+2K"	77.926316
"1077129"	463.541708	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K"	77.926316
"1107057"	928.090692	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2K+H"	78.933592
"1344534"	928.178307	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+DMSO+H"	79.021207
"1010876"	932.217476	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+H"	83.060376
"1537752"	933.211108	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+IsoProp+Na+H"	84.054008
"1000919"	466.612376	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+2ACN+2H"	84.067652
"1594327"	934.125728	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+HCOOH"	84.968628
"1421082"	964.157238	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+H+CF3COOH"	115.000138
"1160118"	487.125651	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+3ACN+2H"	125.094202
"1705299"	981.183785	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+NH4+CF3COOH"	132.026685
"1644228"	986.13918	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+Na+CF3COOH"	136.98208
"1575505"	1002.11312	"C03466"	"3-Methyl-vinylacetyl-CoA"	"C26H42N7O17P3S"	"849.1571"	"M+K+CF3COOH"	152.95602
"812435"	130.063	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M"	0
"981592"	111.04461	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"65824"	85.7013906666667	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"503925"	129.055724	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"880074"	42.3470573333333	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"538"	129.055724	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"440221"	194.087224	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"817125"	64.024224	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"78742"	259.118724	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"527064"	389.181724	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"904866"	129.055724	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"51587"	276.145271	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"488352"	406.208271	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"865664"	146.082271	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"40132"	281.100666	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"474225"	411.163666	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"848732"	151.037666	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1618995"	151.037666	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"105748"	147.044063	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"544215"	212.075563	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"936634"	82.012563	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"276286"	295.095402	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"669801"	425.158402	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1286577"	165.032402	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"19660"	297.074606	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"461042"	427.137606	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"837750"	167.011606	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1562338"	167.011606	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"944017"	175.061194	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"364054"	305.124201	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"349394"	319.139851	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1495309"	189.076851	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"959691"	197.043151	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"112487"	165.032402	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"553142"	230.063902	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1023398"	100.000902	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1251012"	208.981885	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1316742"	211.037872	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1321846"	233.019829	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"913634"	243.048586	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1289003"	279.025264	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1369231"	95.050324	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1394388"	113.0603	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"297723"	261.133276	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"690386"	391.196276	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1366370"	131.070276	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H"	1.007276
"139015"	131.070276	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"576388"	196.101776	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1049559"	66.038776	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"211991"	87.7159426666667	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"655933"	131.070276	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1170776"	44.3616093333333	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"435139"	278.159823	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"795041"	408.222823	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1686997"	148.096823	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"338558"	139.5835495	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"732073"	204.6150495	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1485904"	74.5520495	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"404218"	283.115218	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"766680"	413.178218	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1616724"	153.052218	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"325909"	142.061247	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"718698"	207.092747	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1474342"	77.029747	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1066252"	51.6889233333333	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1268898"	163.096486	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"390390"	299.089158	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"748831"	429.152158	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1551977"	169.026158	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+K"	38.963158
"310245"	150.048217	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"700480"	215.079717	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1455391"	85.016717	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"243995"	302.159826	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1219984"	172.096826	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1203868"	86.552051	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"198925"	305.09716	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"636301"	435.16016	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1140902"	175.03416	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"176169"	153.052218	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"617194"	218.083718	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1120701"	88.020718	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1403128"	59.0162373333333	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1434514"	177.075746	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"225303"	158.08524	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1514095"	191.12779	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"413419"	161.039188	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"775145"	226.070688	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1671108"	96.007688	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"262014"	324.141768	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1234724"	194.078768	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1726770"	194.102293	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1191150"	66.3435513333333	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1663597"	199.057688	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"171064"	337.04504	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"606369"	467.10804	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1094163"	206.98204	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"154259"	169.026158	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"594914"	234.057658	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1080519"	103.994658	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1108261"	208.996592	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1347925"	209.084207	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1015360"	213.123376	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1538837"	214.117008	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1004555"	107.065326	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1595530"	215.031628	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1423378"	245.063138	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1160228"	127.578601	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1708689"	262.089685	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1644338"	267.04508	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1575615"	283.01902	"C03467"	"beta-Ketoisocaproate;beta-Ketoisocaproic acid;3-Oxo-4-methylpentanoate;4-Methyl-3-oxopentanoic acid"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"805986"	530.2264	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M"	0
"982797"	511.20801	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-H2O-H"	-19.01839
"63504"	352.476990666667	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M-3H"	-3.021828
"503429"	529.219124	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M-3H"	-3.021828
"880498"	175.734857333333	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-3H"	-3.021828
"1379"	529.219124	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M-2H"	-2.014552
"442156"	794.332324	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M-2H"	-2.014552
"817200"	264.105924	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-2H"	-2.014552
"79338"	1059.445524	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M-H"	-1.007276
"521705"	1589.671924	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M-H"	-1.007276
"897440"	529.219124	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-H"	-1.007276
"50604"	1076.472071	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M-2H+NH4"	16.019271
"488335"	1606.698471	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M-2H+NH4"	16.019271
"864671"	546.245671	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-2H+NH4"	16.019271
"39149"	1081.427466	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M-2H+Na"	20.974666
"474456"	1611.653866	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M-2H+Na"	20.974666
"848723"	551.201066	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-2H+Na"	20.974666
"1619226"	551.201066	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Na-2H"	20.974666
"103671"	547.207463	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M-H+Cl"	33.962126
"540315"	812.320663	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M-H+Cl"	33.962126
"934558"	282.094263	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-H+Cl"	33.962126
"276396"	1095.422202	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+Cl"	34.969402
"669911"	1625.648602	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+Cl"	34.969402
"1286687"	565.195802	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Cl"	34.969402
"20500"	1097.401406	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M-2H+K"	36.948606
"461153"	1627.627806	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M-2H+K"	36.948606
"836767"	567.175006	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-2H+K"	36.948606
"1558075"	567.175006	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+K-2H"	36.948606
"943278"	575.224594	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-H+HCOOH"	44.998194
"365258"	1105.451001	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+HCOOH-H"	44.998201
"348776"	1119.466651	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+Hac-H"	59.013851
"1499065"	589.240251	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Hac-H"	59.013851
"961502"	597.206551	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-H+NaCOOH"	66.980151
"114056"	565.195802	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+2Cl"	69.938804
"552889"	830.309002	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+2Cl"	69.938804
"1024239"	300.082602	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2Cl"	69.938804
"1251122"	609.145285	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Br"	78.918885
"1313571"	611.201272	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Cl+HCOOH"	80.974872
"1329974"	633.183229	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Cl+NaCOOH"	102.956829
"916660"	643.211986	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M-H+CF3COOH"	112.985586
"1288993"	679.188664	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Cl+CF3COOH"	148.962264
"1368369"	495.213724	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H-2H2O"	-35.012676
"1394498"	513.2237	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H-H2O"	-17.0027
"293090"	1061.460076	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+H"	1.007276
"683326"	1591.686476	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+H"	1.007276
"1355301"	531.233676	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H"	1.007276
"130377"	531.233676	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+2H"	2.014552
"574311"	796.346876	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+2H"	2.014552
"1048576"	266.120476	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2H"	2.014552
"211008"	354.491542666667	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+3H"	3.021828
"656043"	531.233676	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+3H"	3.021828
"1171980"	177.749409333333	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+3H"	3.021828
"433062"	1078.486623	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+NH4"	18.033823
"795151"	1608.713023	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+NH4"	18.033823
"1689294"	548.260223	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+NH4"	18.033823
"337577"	539.7469495	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+H+NH4"	19.041099
"732182"	804.8601495	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+H+NH4"	19.041099
"1484919"	274.6337495	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H+NH4"	19.041099
"401412"	1083.442018	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+Na"	22.989218
"765689"	1613.668418	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+Na"	22.989218
"1617079"	553.215618	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Na"	22.989218
"326383"	542.224647	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+H+Na"	23.996494
"720511"	807.337847	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+H+Na"	23.996494
"1474816"	277.111447	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H+Na"	23.996494
"1066967"	185.076723333333	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2H+Na"	25.00377
"1269375"	563.259886	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+CH3OH+H"	33.033486
"390136"	1099.415958	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+K"	38.963158
"751495"	1629.642358	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+K"	38.963158
"1552087"	569.189558	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+K"	38.963158
"311089"	550.211617	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+H+K"	39.970434
"703874"	815.324817	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+H+K"	39.970434
"1456598"	285.098417	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H+K"	39.970434
"244107"	1102.486626	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+ACN+H"	42.033826
"1217908"	572.260226	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+ACN+H"	42.033826
"1206165"	286.633751	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+ACN+2H"	43.041102
"199035"	1105.42396	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+2Na-H"	44.97116
"636411"	1635.65036	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+2Na-H"	44.97116
"1141012"	575.19756	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2Na-H"	44.97116
"175915"	553.215618	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+2Na"	45.978436
"618399"	818.328818	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+2Na"	45.978436
"1120811"	288.102418	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2Na"	45.978436
"1402874"	192.404037333333	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H+2Na"	46.985712
"1432437"	577.239146	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H+HCOOH"	47.012746
"222861"	558.24864	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+3H2O+2H"	56.04448
"1513112"	591.29119	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+IsoProp+H"	61.06479
"409882"	561.202588	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+Na+K"	61.952376
"777080"	826.315788	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+Na+K"	61.952376
"1674504"	296.089388	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Na+K"	61.952376
"259937"	1124.468568	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+ACN+Na"	64.015768
"1234834"	594.242168	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+ACN+Na"	64.015768
"1726272"	594.265693	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+NH4+HCOOH"	64.039293
"1193209"	199.731351333333	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+3Na"	68.967654
"1663342"	599.221088	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Na+HCOOH"	68.994688
"171174"	1137.37184	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+2K-H"	76.91904
"604293"	1667.59824	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+2K-H"	76.91904
"1097555"	607.14544	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2K-H"	76.91904
"148903"	569.189558	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"2M+2K"	77.926316
"594660"	834.302758	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"3M+2K"	77.926316
"1080630"	304.076358	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2K"	77.926316
"1111651"	609.159992	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2K+H"	78.933592
"1349129"	609.247607	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+DMSO+H"	79.021207
"1020090"	613.286776	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2ACN+H"	83.060376
"1537851"	614.280408	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+IsoProp+Na+H"	84.054008
"1002231"	307.147026	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+2ACN+2H"	84.067652
"1594547"	615.195028	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+K+HCOOH"	84.968628
"1423488"	645.226538	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+H+CF3COOH"	115.000138
"1160338"	327.660301	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+3ACN+2H"	125.094202
"1708800"	662.253085	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+NH4+CF3COOH"	132.026685
"1647730"	667.20848	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+Na+CF3COOH"	136.98208
"1579005"	683.18242	"C03470"	"3-alpha(S)-Strictosidine;Strictosidine"	"C27H34N2O9"	"530.2264"	"M+K+CF3COOH"	152.95602
"806096"	137.0841	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M"	0
"982907"	118.06571	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"64588"	90.382124	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"503778"	136.076824	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"881950"	44.687424	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"1246"	136.076824	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"440929"	204.618874	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"817761"	67.534774	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"78965"	273.160924	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"521451"	410.245024	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"897550"	136.076824	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"49011"	290.187471	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"488571"	427.271571	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"864391"	153.103371	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"35979"	295.142866	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"472620"	432.226966	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"848911"	158.058766	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1619052"	158.058766	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"109006"	154.065163	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"547715"	222.607213	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"937948"	85.523113	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"282461"	309.137602	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"675655"	446.221702	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1286797"	172.053502	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"22796"	311.116806	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"463449"	448.200906	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"843437"	174.032706	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1561465"	174.032706	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"943999"	182.082294	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"362940"	319.166401	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"347186"	333.182051	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1494198"	196.097951	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"960519"	204.064251	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"115628"	172.053502	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"557374"	240.595552	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1027268"	103.511452	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1252326"	216.002985	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1313681"	218.058972	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1328991"	240.040929	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"915676"	250.069686	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1289831"	286.046364	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1368358"	102.071424	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1390232"	120.0814	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"295386"	275.175476	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"690362"	412.259576	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1365253"	138.091376	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"132674"	138.091376	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"576608"	206.633426	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1044311"	69.549326	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"211118"	92.396676	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"657248"	138.091376	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1174277"	46.701976	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"435361"	292.202023	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"794533"	429.286123	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1691591"	155.117923	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"337682"	146.6046495	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"726822"	215.1466995	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1487216"	78.0625995	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"405895"	297.157418	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"766528"	434.241518	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1611711"	160.073318	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"325034"	149.082347	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"721836"	217.624397	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1474923"	80.540297	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1064524"	54.02929	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1268389"	170.117586	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"389151"	313.131358	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"750146"	450.215458	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1552196"	176.047258	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"312290"	157.069317	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"704711"	225.611367	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1456708"	88.527267	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"245310"	316.202026	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1218018"	179.117926	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1205181"	90.062601	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"199145"	319.13936	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"636521"	456.22346	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1144402"	182.05526	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"177121"	160.073318	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"625070"	228.615368	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1125294"	91.531268	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1403349"	61.356604	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1435464"	184.096846	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"225160"	165.10634	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1515409"	198.14889	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"412181"	168.060288	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"775003"	236.602338	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1674614"	99.518238	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"261140"	338.183968	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1238224"	201.099868	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1726625"	201.123393	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1194102"	68.683918	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1664790"	206.078788	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"172258"	351.08724	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"606590"	488.17134	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1099247"	214.00314	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"156189"	176.047258	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"595014"	244.589308	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1081835"	107.505208	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1114195"	216.017692	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1350662"	216.105307	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1018861"	220.144476	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1536988"	221.138108	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"1002341"	110.575876	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1592469"	222.052728	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1419224"	252.084238	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1160448"	131.089151	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1710004"	269.110785	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1648933"	274.06618	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1579115"	290.04012	"C03473"	"1-(p-Hydroxyphenyl)ethylamine"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"803290"	190.0378	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M"	0
"979737"	171.01941	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-H2O-H"	-19.01839
"66884"	125.684590666667	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M-3H"	-3.021828
"504619"	189.030524	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M-3H"	-3.021828
"880961"	62.3386573333333	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-3H"	-3.021828
"2205"	189.030524	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M-2H"	-2.014552
"442374"	284.049424	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M-2H"	-2.014552
"817754"	94.011624	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-2H"	-2.014552
"78869"	379.068324	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M-H"	-1.007276
"520833"	569.106124	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M-H"	-1.007276
"896810"	189.030524	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-H"	-1.007276
"47661"	396.094871	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M-2H+NH4"	16.019271
"487383"	586.132671	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M-2H+NH4"	16.019271
"864483"	206.057071	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-2H+NH4"	16.019271
"36089"	401.050266	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M-2H+Na"	20.974666
"472488"	591.088066	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M-2H+Na"	20.974666
"848695"	211.012466	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-2H+Na"	20.974666
"1618840"	211.012466	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Na-2H"	20.974666
"108995"	207.018863	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M-H+Cl"	33.962126
"547825"	302.037763	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M-H+Cl"	33.962126
"935871"	111.999963	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-H+Cl"	33.962126
"276615"	415.045002	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+Cl"	34.969402
"666850"	605.082802	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+Cl"	34.969402
"1285814"	225.007202	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Cl"	34.969402
"26187"	417.024206	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M-2H+K"	36.948606
"459184"	607.062006	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M-2H+K"	36.948606
"839174"	226.986406	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-2H+K"	36.948606
"1563762"	226.986406	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+K-2H"	36.948606
"946176"	235.035994	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-H+HCOOH"	44.998194
"364389"	425.073801	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+HCOOH-H"	44.998201
"348272"	439.089451	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+Hac-H"	59.013851
"1497103"	249.051651	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Hac-H"	59.013851
"960024"	257.017951	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-H+NaCOOH"	66.980151
"115738"	225.007202	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+2Cl"	69.938804
"555297"	320.026102	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+2Cl"	69.938804
"1027378"	129.988302	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2Cl"	69.938804
"1251342"	268.956685	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Br"	78.918885
"1308324"	271.012672	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Cl+HCOOH"	80.974872
"1321444"	292.994629	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Cl+NaCOOH"	102.956829
"913598"	303.023386	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M-H+CF3COOH"	112.985586
"1290305"	339.000064	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Cl+CF3COOH"	148.962264
"1369560"	155.025124	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H-2H2O"	-35.012676
"1392529"	173.0351	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H-H2O"	-17.0027
"291122"	381.082876	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+H"	1.007276
"684637"	571.120676	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+H"	1.007276
"1365361"	191.045076	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H"	1.007276
"134970"	191.045076	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+2H"	2.014552
"576718"	286.063976	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+2H"	2.014552
"1041141"	96.026176	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2H"	2.014552
"211228"	127.699142666667	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+3H"	3.021828
"655169"	191.045076	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+3H"	3.021828
"1173295"	64.3532093333333	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+3H"	3.021828
"435471"	398.109423	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+NH4"	18.033823
"793186"	588.147223	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+NH4"	18.033823
"1688421"	208.071623	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+NH4"	18.033823
"333418"	199.5583495	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+H+NH4"	19.041099
"726201"	294.5772495	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+H+NH4"	19.041099
"1479666"	104.5394495	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H+NH4"	19.041099
"403817"	403.064818	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+Na"	22.989218
"765909"	593.102618	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+Na"	22.989218
"1609634"	213.027018	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Na"	22.989218
"324047"	202.036047	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+H+Na"	23.996494
"722772"	297.054947	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+H+Na"	23.996494
"1475761"	107.017147	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H+Na"	23.996494
"1065727"	71.6805233333333	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2H+Na"	25.00377
"1271779"	223.071286	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+CH3OH+H"	33.033486
"387071"	419.038758	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+K"	38.963158
"750251"	609.076558	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+K"	38.963158
"1549024"	229.000958	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+K"	38.963158
"310575"	210.023017	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+H+K"	39.970434
"704091"	305.041917	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+H+K"	39.970434
"1455724"	115.004117	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H+K"	39.970434
"241045"	422.109426	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+ACN+H"	42.033826
"1218128"	232.071626	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+ACN+H"	42.033826
"1199824"	116.539451	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+ACN+2H"	43.041102
"192693"	425.04676	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+2Na-H"	44.97116
"633715"	615.08456	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+2Na-H"	44.97116
"1144512"	235.00896	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2Na-H"	44.97116
"178688"	213.027018	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+2Na"	45.978436
"625909"	308.045918	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+2Na"	45.978436
"1126498"	118.008118	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2Na"	45.978436
"1403459"	79.0078373333333	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H+2Na"	46.985712
"1436668"	237.050546	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H+HCOOH"	47.012746
"227457"	218.06004	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+3H2O+2H"	56.04448
"1516612"	251.10259	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+IsoProp+H"	61.06479
"413021"	221.013988	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+Na+K"	61.952376
"778393"	316.032888	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+Na+K"	61.952376
"1678004"	125.995088	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Na+K"	61.952376
"259063"	444.091368	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+ACN+Na"	64.015768
"1239793"	254.053568	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+ACN+Na"	64.015768
"1728073"	254.077093	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+NH4+HCOOH"	64.039293
"1193916"	86.3351513333333	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+3Na"	68.967654
"1665388"	259.032488	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Na+HCOOH"	68.994688
"172451"	456.99464	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+2K-H"	76.91904
"606700"	647.03244	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+2K-H"	76.91904
"1099116"	266.95684	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2K-H"	76.91904
"156665"	229.000958	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"2M+2K"	77.926316
"593058"	324.019858	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"3M+2K"	77.926316
"1081944"	133.982058	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2K"	77.926316
"1115161"	268.971392	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2K+H"	78.933592
"1351054"	269.059007	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+DMSO+H"	79.021207
"1018971"	273.098176	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2ACN+H"	83.060376
"1531629"	274.091808	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+IsoProp+Na+H"	84.054008
"1002451"	137.052726	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+2ACN+2H"	84.067652
"1592579"	275.006428	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+K+HCOOH"	84.968628
"1417146"	305.037938	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+H+CF3COOH"	115.000138
"1161651"	157.566001	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+3ACN+2H"	125.094202
"1711207"	322.064485	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+NH4+CF3COOH"	132.026685
"1648679"	327.01988	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+Na+CF3COOH"	136.98208
"1579225"	342.99382	"C03474"	"4-Nitroquinoline N-oxide;4-Nitroquinoline 1-oxide;Nitrochin"	"C9H6N2O3"	"190.0378"	"M+K+CF3COOH"	152.95602
"808502"	425.0859	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M"	0
"976566"	406.06751	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-H2O-H"	-19.01839
"65900"	282.383324	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M-3H"	-3.021828
"503272"	424.078624	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M-3H"	-3.021828
"880215"	140.688024	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-3H"	-3.021828
"613"	424.078624	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M-2H"	-2.014552
"441025"	636.621574	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M-2H"	-2.014552
"817151"	211.535674	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-2H"	-2.014552
"78730"	849.164524	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M-H"	-1.007276
"519279"	1274.250424	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M-H"	-1.007276
"899839"	424.078624	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-H"	-1.007276
"47250"	866.191071	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M-2H+NH4"	16.019271
"487112"	1291.276971	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M-2H+NH4"	16.019271
"868297"	441.105171	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-2H+NH4"	16.019271
"38386"	871.146466	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M-2H+Na"	20.974666
"473571"	1296.232366	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M-2H+Na"	20.974666
"848535"	446.060566	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-2H+Na"	20.974666
"1625287"	446.060566	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Na-2H"	20.974666
"98535"	442.066963	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M-H+Cl"	33.962126
"541374"	654.609913	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M-H+Cl"	33.962126
"928694"	229.524013	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-H+Cl"	33.962126
"269072"	885.141202	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+Cl"	34.969402
"663681"	1310.227102	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+Cl"	34.969402
"1279370"	460.055302	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Cl"	34.969402
"18644"	887.120406	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M-2H+K"	36.948606
"463672"	1312.206306	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M-2H+K"	36.948606
"843667"	462.034506	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-2H+K"	36.948606
"1561686"	462.034506	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+K-2H"	36.948606
"948474"	470.084094	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-H+HCOOH"	44.998194
"362314"	895.170001	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+HCOOH-H"	44.998201
"345772"	909.185651	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+Hac-H"	59.013851
"1492917"	484.099751	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Hac-H"	59.013851
"958918"	492.066051	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-H+NaCOOH"	66.980151
"111110"	460.055302	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+2Cl"	69.938804
"550424"	672.598252	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+2Cl"	69.938804
"1021376"	247.512352	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2Cl"	69.938804
"1248169"	504.004785	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Br"	78.918885
"1308436"	506.060772	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Cl+HCOOH"	80.974872
"1324840"	528.042729	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Cl+NaCOOH"	102.956829
"914804"	538.071486	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M-H+CF3COOH"	112.985586
"1288475"	574.048164	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Cl+CF3COOH"	148.962264
"1380613"	390.073224	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H-2H2O"	-35.012676
"1394828"	408.0832	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H-H2O"	-17.0027
"298166"	851.179076	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+H"	1.007276
"690216"	1276.264976	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+H"	1.007276
"1366690"	426.093176	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H"	1.007276
"136176"	426.093176	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+2H"	2.014552
"576829"	638.636126	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+2H"	2.014552
"1045628"	213.550226	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2H"	2.014552
"219494"	284.397876	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+3H"	3.021828
"658561"	426.093176	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+3H"	3.021828
"1174498"	142.702576	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+3H"	3.021828
"433396"	868.205623	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+NH4"	18.033823
"794390"	1293.291523	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+NH4"	18.033823
"1688533"	443.119723	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+NH4"	18.033823
"335718"	434.6064495	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+H+NH4"	19.041099
"732521"	647.1493995	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+H+NH4"	19.041099
"1486346"	222.0634995	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H+NH4"	19.041099
"400654"	873.161018	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+Na"	22.989218
"762743"	1298.246918	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+Na"	22.989218
"1615947"	448.075118	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Na"	22.989218
"328904"	437.084147	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+H+Na"	23.996494
"722665"	649.627097	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+H+Na"	23.996494
"1476240"	224.541197	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H+Na"	23.996494
"1065837"	150.02989	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2H+Na"	25.00377
"1270796"	458.119386	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+CH3OH+H"	33.033486
"388640"	889.134958	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+K"	38.963158
"747081"	1314.220858	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+K"	38.963158
"1546948"	464.049058	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+K"	38.963158
"309592"	445.071117	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+H+K"	39.970434
"702014"	657.614067	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+H+K"	39.970434
"1454740"	232.528167	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H+K"	39.970434
"241155"	892.205626	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+ACN+H"	42.033826
"1215685"	467.119726	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+ACN+H"	42.033826
"1200297"	234.063501	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+ACN+2H"	43.041102
"202530"	895.14296	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+2Na-H"	44.97116
"643185"	1320.22886	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+2Na-H"	44.97116
"1144623"	470.05706	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2Na-H"	44.97116
"176983"	448.075118	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+2Na"	45.978436
"619823"	660.618068	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+2Na"	45.978436
"1120048"	235.532168	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2Na"	45.978436
"1406850"	157.357204	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H+2Na"	46.985712
"1433499"	472.098646	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H+HCOOH"	47.012746
"222101"	453.10814	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+3H2O+2H"	56.04448
"1510894"	486.15069	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+IsoProp+H"	61.06479
"415319"	456.062088	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+Na+K"	61.952376
"778502"	668.605038	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+Na+K"	61.952376
"1672651"	243.519138	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Na+K"	61.952376
"259172"	914.187568	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+ACN+Na"	64.015768
"1239536"	489.101668	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+ACN+Na"	64.015768
"1725142"	489.125193	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+NH4+HCOOH"	64.039293
"1193946"	164.684518	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+3Na"	68.967654
"1665512"	494.080588	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Na+HCOOH"	68.994688
"172805"	927.09084	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+2K-H"	76.91904
"612658"	1352.17674	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+2K-H"	76.91904
"1099715"	502.00494	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2K-H"	76.91904
"157089"	464.049058	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"2M+2K"	77.926316
"595234"	676.592008	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"3M+2K"	77.926316
"1083961"	251.506108	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2K"	77.926316
"1115398"	504.019492	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2K+H"	78.933592
"1351212"	504.107107	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+DMSO+H"	79.021207
"1019081"	508.146276	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2ACN+H"	83.060376
"1538424"	509.139908	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+IsoProp+Na+H"	84.054008
"1002561"	254.576776	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+2ACN+2H"	84.067652
"1601076"	510.054528	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+K+HCOOH"	84.968628
"1429879"	540.086038	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+H+CF3COOH"	115.000138
"1159581"	275.090051	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+3ACN+2H"	125.094202
"1711317"	557.112585	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+NH4+CF3COOH"	132.026685
"1648789"	562.06798	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+Na+CF3COOH"	136.98208
"1577148"	578.04192	"C03476"	"512-Dihydroxanthommatin"	"C20H15N3O8"	"425.0859"	"M+K+CF3COOH"	152.95602
"809706"	473.1659	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M"	0
"983239"	454.14751	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-H2O-H"	-19.01839
"70387"	314.436657333333	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M-3H"	-3.021828
"505572"	472.158624	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M-3H"	-3.021828
"881185"	156.714690666667	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-3H"	-3.021828
"3042"	472.158624	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M-2H"	-2.014552
"440163"	708.741574	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M-2H"	-2.014552
"817602"	235.575674	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-2H"	-2.014552
"78800"	945.324524	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M-H"	-1.007276
"523603"	1418.490424	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M-H"	-1.007276
"897517"	472.158624	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-H"	-1.007276
"47345"	962.351071	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M-2H+NH4"	16.019271
"487227"	1435.516971	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M-2H+NH4"	16.019271
"877768"	489.185171	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-2H+NH4"	16.019271
"41777"	967.306466	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M-2H+Na"	20.974666
"476233"	1440.472366	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M-2H+Na"	20.974666
"851117"	494.140566	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-2H+Na"	20.974666
"1622119"	494.140566	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Na-2H"	20.974666
"98647"	490.146963	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M-H+Cl"	33.962126
"537477"	726.729913	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M-H+Cl"	33.962126
"932816"	253.564013	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-H+Cl"	33.962126
"269185"	981.301202	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+Cl"	34.969402
"663063"	1454.467102	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+Cl"	34.969402
"1286043"	508.135302	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Cl"	34.969402
"27505"	983.280406	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M-2H+K"	36.948606
"461597"	1456.446306	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M-2H+K"	36.948606
"844870"	510.114506	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-2H+K"	36.948606
"1560703"	510.114506	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+K-2H"	36.948606
"951864"	518.164094	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-H+HCOOH"	44.998194
"363882"	991.330001	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+HCOOH-H"	44.998201
"347400"	1005.345651	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+Hac-H"	59.013851
"1495137"	532.179751	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Hac-H"	59.013851
"961585"	540.146051	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-H+NaCOOH"	66.980151
"114865"	508.135302	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+2Cl"	69.938804
"551506"	744.718252	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+2Cl"	69.938804
"1023225"	271.552352	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2Cl"	69.938804
"1248279"	552.084785	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Br"	78.918885
"1306359"	554.140772	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Cl+HCOOH"	80.974872
"1324950"	576.122729	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Cl+NaCOOH"	102.956829
"913821"	586.151486	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M-H+CF3COOH"	112.985586
"1289434"	622.128164	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Cl+CF3COOH"	148.962264
"1381213"	438.153224	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H-2H2O"	-35.012676
"1396031"	456.1632	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H-H2O"	-17.0027
"298155"	947.339076	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+H"	1.007276
"684858"	1420.504976	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+H"	1.007276
"1366313"	474.173176	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H"	1.007276
"140660"	474.173176	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+2H"	2.014552
"576939"	710.756126	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+2H"	2.014552
"1045738"	237.590226	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2H"	2.014552
"212545"	316.451209333333	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+3H"	3.021828
"657578"	474.173176	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+3H"	3.021828
"1172422"	158.729242666667	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+3H"	3.021828
"431319"	964.365623	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+NH4"	18.033823
"791219"	1437.531523	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+NH4"	18.033823
"1686457"	491.199723	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+NH4"	18.033823
"333642"	482.6864495	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+H+NH4"	19.041099
"727517"	719.2693995	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+H+NH4"	19.041099
"1487549"	246.1034995	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H+NH4"	19.041099
"401857"	969.321018	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+Na"	22.989218
"763946"	1442.486918	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+Na"	22.989218
"1614235"	496.155118	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Na"	22.989218
"328405"	485.164147	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+H+Na"	23.996494
"719975"	721.747097	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+H+Na"	23.996494
"1475013"	248.581197	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H+Na"	23.996494
"1068263"	166.056556666667	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2H+Na"	25.00377
"1271758"	506.199386	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+CH3OH+H"	33.033486
"390575"	985.294958	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+K"	38.963158
"749382"	1458.460858	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+K"	38.963158
"1550342"	512.129058	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+K"	38.963158
"306423"	493.151117	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+H+K"	39.970434
"703222"	729.734067	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+H+K"	39.970434
"1457042"	256.568167	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H+K"	39.970434
"246737"	988.365626	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+ACN+H"	42.033826
"1222724"	515.199726	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+ACN+H"	42.033826
"1204419"	258.103501	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+ACN+2H"	43.041102
"200210"	991.30296	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+2Na-H"	44.97116
"637950"	1464.46886	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+2Na-H"	44.97116
"1144372"	518.13706	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2Na-H"	44.97116
"181467"	496.155118	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+2Na"	45.978436
"614468"	732.738068	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+2Na"	45.978436
"1116880"	259.572168	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2Na"	45.978436
"1400404"	173.383870666667	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H+2Na"	46.985712
"1430332"	520.178646	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H+HCOOH"	47.012746
"220382"	501.18814	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+3H2O+2H"	56.04448
"1509911"	534.23069	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+IsoProp+H"	61.06479
"416524"	504.142088	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+Na+K"	61.952376
"777519"	740.725038	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+Na+K"	61.952376
"1674951"	267.559138	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Na+K"	61.952376
"265845"	1010.347568	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+ACN+Na"	64.015768
"1241281"	537.181668	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+ACN+Na"	64.015768
"1728422"	537.205193	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+NH4+HCOOH"	64.039293
"1192794"	180.711184666667	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+3Na"	68.967654
"1665209"	542.160588	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Na+HCOOH"	68.994688
"172680"	1023.25084	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+2K-H"	76.91904
"612396"	1496.41674	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+2K-H"	76.91904
"1099582"	550.08494	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2K-H"	76.91904
"157105"	512.129058	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"2M+2K"	77.926316
"596318"	748.712008	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"3M+2K"	77.926316
"1083706"	275.546108	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2K"	77.926316
"1115011"	552.099492	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2K+H"	78.933592
"1351317"	552.187107	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+DMSO+H"	79.021207
"1020938"	556.226276	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2ACN+H"	83.060376
"1539868"	557.219908	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+IsoProp+Na+H"	84.054008
"1002672"	278.616776	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+2ACN+2H"	84.067652
"1600093"	558.134528	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+K+HCOOH"	84.968628
"1429726"	588.166038	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+H+CF3COOH"	115.000138
"1159691"	299.130051	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+3ACN+2H"	125.094202
"1710335"	605.192585	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+NH4+CF3COOH"	132.026685
"1647077"	610.14798	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+Na+CF3COOH"	136.98208
"1579447"	626.12192	"C03479"	"Folinic acid;Leucovorin;5-Formyltetrahydrofolate;L(-)-5-Formyl-5678-tetrahydrofolic acid"	"C20H23N7O7"	"473.1659"	"M+K+CF3COOH"	152.95602
"806535"	586.9621	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M"	0
"977879"	567.94371	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-H2O-H"	-19.01839
"68310"	390.300790666667	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M-3H"	-3.021828
"504952"	585.954824	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M-3H"	-3.021828
"881296"	194.646757333333	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-3H"	-3.021828
"4245"	585.954824	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M-2H"	-2.014552
"442710"	879.435874	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M-2H"	-2.014552
"818076"	292.473774	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-2H"	-2.014552
"79280"	1172.916924	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M-H"	-1.007276
"523349"	1759.879024	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M-H"	-1.007276
"903338"	585.954824	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-H"	-1.007276
"47985"	1189.943471	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M-2H+NH4"	16.019271
"488518"	1776.905571	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M-2H+NH4"	16.019271
"870707"	602.981371	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-2H+NH4"	16.019271
"41887"	1194.898866	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M-2H+Na"	20.974666
"475614"	1781.860966	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M-2H+Na"	20.974666
"851227"	607.936766	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-2H+Na"	20.974666
"1622229"	607.936766	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Na-2H"	20.974666
"98757"	603.943163	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M-H+Cl"	33.962126
"537223"	897.424213	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M-H+Cl"	33.962126
"932926"	310.462113	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-H+Cl"	33.962126
"268202"	1208.893602	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+Cl"	34.969402
"662809"	1795.855702	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+Cl"	34.969402
"1286153"	621.931502	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Cl"	34.969402
"26522"	1210.872806	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M-2H+K"	36.948606
"461707"	1797.834906	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M-2H+K"	36.948606
"843887"	623.910706	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-2H+K"	36.948606
"1560813"	623.910706	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+K-2H"	36.948606
"951974"	631.960294	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-H+HCOOH"	44.998194
"363629"	1218.922401	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+HCOOH-H"	44.998201
"347509"	1232.938051	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+Hac-H"	59.013851
"1494153"	645.975951	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Hac-H"	59.013851
"960601"	653.942251	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-H+NaCOOH"	66.980151
"113152"	621.931502	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+2Cl"	69.938804
"551374"	915.412552	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+2Cl"	69.938804
"1022118"	328.450452	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2Cl"	69.938804
"1248389"	665.880985	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Br"	78.918885
"1306590"	667.936972	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Cl+HCOOH"	80.974872
"1325060"	689.918929	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Cl+NaCOOH"	102.956829
"913931"	699.947686	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M-H+CF3COOH"	112.985586
"1290393"	735.924364	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Cl+CF3COOH"	148.962264
"1382173"	551.949424	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H-2H2O"	-35.012676
"1395778"	569.9594	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H-H2O"	-17.0027
"297290"	1174.931476	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+H"	1.007276
"684968"	1761.893576	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+H"	1.007276
"1364237"	587.969376	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H"	1.007276
"136394"	587.969376	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+2H"	2.014552
"570488"	881.450426	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+2H"	2.014552
"1043660"	294.488326	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2H"	2.014552
"212654"	392.315342666667	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+3H"	3.021828
"657324"	587.969376	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+3H"	3.021828
"1173625"	196.661309333333	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+3H"	3.021828
"429243"	1191.958023	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+NH4"	18.033823
"791329"	1778.920123	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+NH4"	18.033823
"1685473"	604.995923	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+NH4"	18.033823
"334844"	596.4826495	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+H+NH4"	19.041099
"727627"	889.9636995	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+H+NH4"	19.041099
"1488752"	303.0015995	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H+NH4"	19.041099
"399780"	1196.913418	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+Na"	22.989218
"765149"	1783.875518	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+Na"	22.989218
"1614345"	609.951318	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Na"	22.989218
"328759"	598.960347	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+H+Na"	23.996494
"721666"	892.441397	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+H+Na"	23.996494
"1475731"	305.479297	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H+Na"	23.996494
"1064964"	203.988623333333	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2H+Na"	25.00377
"1271747"	619.995586	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+CH3OH+H"	33.033486
"388498"	1212.887358	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+K"	38.963158
"748399"	1799.849458	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+K"	38.963158
"1550452"	625.925258	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+K"	38.963158
"305440"	606.947317	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+H+K"	39.970434
"704062"	900.428367	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+H+K"	39.970434
"1457152"	313.466267	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H+K"	39.970434
"246847"	1215.958026	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+ACN+H"	42.033826
"1220647"	628.995926	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+ACN+H"	42.033826
"1202342"	315.001601	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+ACN+2H"	43.041102
"197404"	1218.89536	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+2Na-H"	44.97116
"639153"	1805.85746	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+2Na-H"	44.97116
"1136462"	631.93326	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2Na-H"	44.97116
"182670"	609.951318	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+2Na"	45.978436
"614578"	903.432368	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+2Na"	45.978436
"1116990"	316.470268	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2Na"	45.978436
"1400514"	211.315937333333	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H+2Na"	46.985712
"1430442"	633.974846	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H+HCOOH"	47.012746
"220855"	614.98434	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+3H2O+2H"	56.04448
"1509657"	648.02689	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+IsoProp+H"	61.06479
"413718"	617.938288	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+Na+K"	61.952376
"777629"	911.419338	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+Na+K"	61.952376
"1676154"	324.457238	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Na+K"	61.952376
"265834"	1237.939968	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+ACN+Na"	64.015768
"1241097"	650.977868	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+ACN+Na"	64.015768
"1728242"	651.001393	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+NH4+HCOOH"	64.039293
"1189624"	218.643251333333	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+3Na"	68.967654
"1664993"	655.956788	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Na+HCOOH"	68.994688
"172710"	1250.84324	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+2K-H"	76.91904
"612467"	1837.80534	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+2K-H"	76.91904
"1097017"	663.88114	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2K-H"	76.91904
"156630"	625.925258	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"2M+2K"	77.926316
"596310"	919.406308	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"3M+2K"	77.926316
"1081181"	332.444208	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2K"	77.926316
"1114515"	665.895692	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2K+H"	78.933592
"1350660"	665.983307	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+DMSO+H"	79.021207
"1020156"	670.022476	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2ACN+H"	83.060376
"1539017"	671.016108	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+IsoProp+Na+H"	84.054008
"1001689"	335.514876	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+2ACN+2H"	84.067652
"1591819"	671.930728	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+K+HCOOH"	84.968628
"1429389"	701.962238	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+H+CF3COOH"	115.000138
"1158708"	356.028151	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+3ACN+2H"	125.094202
"1710445"	718.988785	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+NH4+CF3COOH"	132.026685
"1645000"	723.94418	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+Na+CF3COOH"	136.98208
"1579557"	739.91812	"C03483"	"Adenosine tetraphosphate;Adenosine 5-tetraphosphate"	"C10H17N5O16P4"	"586.9621"	"M+K+CF3COOH"	152.95602
"806645"	108.0575	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M"	0
"979082"	89.03911	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-H2O-H"	-19.01839
"69513"	71.0310573333333	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M-3H"	-3.021828
"505061"	107.050224	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M-3H"	-3.021828
"882133"	35.0118906666667	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-3H"	-3.021828
"3262"	107.050224	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M-2H"	-2.014552
"441362"	161.078974	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M-2H"	-2.014552
"817124"	53.021474	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-2H"	-2.014552
"80369"	215.107724	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M-H"	-1.007276
"524552"	323.165224	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M-H"	-1.007276
"900165"	107.050224	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-H"	-1.007276
"49074"	232.134271	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M-2H+NH4"	16.019271
"488022"	340.191771	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M-2H+NH4"	16.019271
"871910"	124.076771	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-2H+NH4"	16.019271
"41998"	237.089666	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M-2H+Na"	20.974666
"480464"	345.147166	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M-2H+Na"	20.974666
"853892"	129.032166	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-2H+Na"	20.974666
"1624160"	129.032166	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Na-2H"	20.974666
"95951"	125.038563	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M-H+Cl"	33.962126
"535745"	179.067313	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M-H+Cl"	33.962126
"935224"	71.009813	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-H+Cl"	33.962126
"270499"	251.084402	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+Cl"	34.969402
"667294"	359.141902	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+Cl"	34.969402
"1287723"	143.026902	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Cl"	34.969402
"29912"	253.063606	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M-2H+K"	36.948606
"468378"	361.121106	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M-2H+K"	36.948606
"843997"	145.006106	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-2H+K"	36.948606
"1564203"	145.006106	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+K-2H"	36.948606
"947711"	153.055694	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-H+HCOOH"	44.998194
"364832"	261.113201	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+HCOOH-H"	44.998201
"346892"	275.128851	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+Hac-H"	59.013851
"1494266"	167.071351	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Hac-H"	59.013851
"960712"	175.037651	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-H+NaCOOH"	66.980151
"117273"	143.026902	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+2Cl"	69.938804
"550878"	197.055652	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+2Cl"	69.938804
"1021742"	88.998152	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2Cl"	69.938804
"1245217"	186.976385	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Br"	78.918885
"1307671"	189.032372	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Cl+HCOOH"	80.974872
"1328450"	211.014329	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Cl+NaCOOH"	102.956829
"919509"	221.043086	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M-H+CF3COOH"	112.985586
"1291841"	257.019764	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Cl+CF3COOH"	148.962264
"1381191"	73.044824	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H-2H2O"	-35.012676
"1396616"	91.0548	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H-H2O"	-17.0027
"296668"	217.122276	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+H"	1.007276
"685078"	325.179776	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+H"	1.007276
"1365078"	109.064776	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H"	1.007276
"139423"	109.064776	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+2H"	2.014552
"573878"	163.093526	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+2H"	2.014552
"1045957"	55.036026	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2H"	2.014552
"213857"	73.0456093333333	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+3H"	3.021828
"659868"	109.064776	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+3H"	3.021828
"1173737"	37.0264426666667	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+3H"	3.021828
"432633"	234.148823	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+NH4"	18.033823
"793627"	342.206323	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+NH4"	18.033823
"1688864"	126.091323	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+NH4"	18.033823
"341517"	117.5780495	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+H+NH4"	19.041099
"730658"	171.6067995	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+H+NH4"	19.041099
"1486675"	63.5492995	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H+NH4"	19.041099
"400983"	239.104218	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+Na"	22.989218
"763072"	347.161718	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+Na"	22.989218
"1616642"	131.046718	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Na"	22.989218
"329782"	120.055747	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+H+Na"	23.996494
"721657"	174.084497	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+H+Na"	23.996494
"1476450"	66.026997	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H+Na"	23.996494
"1067261"	44.3537566666667	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2H+Na"	25.00377
"1272466"	141.090986	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+CH3OH+H"	33.033486
"390795"	255.078158	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+K"	38.963158
"748509"	363.135658	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+K"	38.963158
"1549469"	147.020658	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+K"	38.963158
"308832"	128.042717	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+H+K"	39.970434
"704903"	182.071467	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+H+K"	39.970434
"1455074"	74.013967	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H+K"	39.970434
"248050"	258.148826	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+ACN+H"	42.033826
"1218570"	150.091326	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+ACN+H"	42.033826
"1203546"	75.549301	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+ACN+2H"	43.041102
"201770"	261.08616	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+2Na-H"	44.97116
"638169"	369.14366	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+2Na-H"	44.97116
"1139489"	153.02866	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2Na-H"	44.97116
"182780"	131.046718	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+2Na"	45.978436
"614688"	185.075468	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+2Na"	45.978436
"1119289"	77.017968	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2Na"	45.978436
"1400623"	51.6810706666667	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H+2Na"	46.985712
"1432374"	155.070246	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H+HCOOH"	47.012746
"222066"	136.07974	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+3H2O+2H"	56.04448
"1513047"	169.12229	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+IsoProp+H"	61.06479
"416382"	139.033688	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+Na+K"	61.952376
"777741"	193.062438	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+Na+K"	61.952376
"1677725"	85.004938	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Na+K"	61.952376
"263516"	280.130768	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+ACN+Na"	64.015768
"1240925"	172.073268	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+ACN+Na"	64.015768
"1725840"	172.096793	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+NH4+HCOOH"	64.039293
"1190827"	59.0083846666667	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+3Na"	68.967654
"1664132"	177.052188	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Na+HCOOH"	68.994688
"172332"	293.03404	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+2K-H"	76.91904
"611886"	401.09154	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+2K-H"	76.91904
"1098832"	184.97654	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2K-H"	76.91904
"155646"	147.020658	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"2M+2K"	77.926316
"596178"	201.049408	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"3M+2K"	77.926316
"1083481"	92.991908	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2K"	77.926316
"1114994"	186.991092	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2K+H"	78.933592
"1350406"	187.078707	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+DMSO+H"	79.021207
"1019537"	191.117876	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2ACN+H"	83.060376
"1539369"	192.111508	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+IsoProp+Na+H"	84.054008
"1000706"	96.062576	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+2ACN+2H"	84.067652
"1591929"	193.026128	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+K+HCOOH"	84.968628
"1429499"	223.057638	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+H+CF3COOH"	115.000138
"1161005"	116.575851	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+3ACN+2H"	125.094202
"1710555"	240.084185	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+NH4+CF3COOH"	132.026685
"1644017"	245.03958	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+Na+CF3COOH"	136.98208
"1579667"	261.01352	"C03485"	"Aromatic primary alcohol;Aromatic alcohol"	"C7H8O"	"108.0575"	"M+K+CF3COOH"	152.95602
"812222"	460.076	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M"	0
"980286"	441.05761	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-H2O-H"	-19.01839
"63300"	305.710057333333	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M-3H"	-3.021828
"502963"	459.068724	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M-3H"	-3.021828
"880783"	152.351390666667	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-3H"	-3.021828
"167"	459.068724	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M-2H"	-2.014552
"440375"	689.106724	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M-2H"	-2.014552
"817162"	229.030724	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-2H"	-2.014552
"80358"	919.144724	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M-H"	-1.007276
"523569"	1379.220724	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M-H"	-1.007276
"898816"	459.068724	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-H"	-1.007276
"50277"	936.171271	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M-2H+NH4"	16.019271
"489837"	1396.247271	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M-2H+NH4"	16.019271
"873114"	476.095271	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-2H+NH4"	16.019271
"44295"	941.126666	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M-2H+Na"	20.974666
"480574"	1401.202666	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M-2H+Na"	20.974666
"854001"	481.050666	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-2H+Na"	20.974666
"1623906"	481.050666	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Na-2H"	20.974666
"97883"	477.057063	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M-H+Cl"	33.962126
"534607"	707.095063	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M-H+Cl"	33.962126
"938614"	247.019063	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-H+Cl"	33.962126
"274982"	955.121402	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+Cl"	34.969402
"667404"	1415.197402	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+Cl"	34.969402
"1288158"	495.045402	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Cl"	34.969402
"30022"	957.100606	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M-2H+K"	36.948606
"468488"	1417.176606	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M-2H+K"	36.948606
"840827"	497.024606	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-2H+K"	36.948606
"1561033"	497.024606	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+K-2H"	36.948606
"951101"	505.074194	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-H+HCOOH"	44.998194
"364943"	965.150201	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+HCOOH-H"	44.998201
"347731"	979.165851	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+Hac-H"	59.013851
"1496563"	519.089851	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Hac-H"	59.013851
"961915"	527.056151	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-H+NaCOOH"	66.980151
"117384"	495.045402	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+2Cl"	69.938804
"552572"	725.083402	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+2Cl"	69.938804
"1023191"	265.007402	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2Cl"	69.938804
"1245327"	538.994885	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Br"	78.918885
"1313249"	541.050872	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Cl+HCOOH"	80.974872
"1329653"	563.032829	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Cl+NaCOOH"	102.956829
"921805"	573.061586	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M-H+CF3COOH"	112.985586
"1293045"	609.038264	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Cl+CF3COOH"	148.962264
"1381789"	425.063324	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H-2H2O"	-35.012676
"1395998"	443.0733	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H-H2O"	-17.0027
"296050"	921.159276	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+H"	1.007276
"685188"	1381.235276	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+H"	1.007276
"1363728"	461.083276	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H"	1.007276
"137347"	461.083276	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+2H"	2.014552
"576540"	691.121276	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+2H"	2.014552
"1048618"	231.045276	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2H"	2.014552
"216154"	307.724609333333	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+3H"	3.021828
"657180"	461.083276	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+3H"	3.021828
"1174575"	154.365942666667	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+3H"	3.021828
"430556"	938.185823	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+NH4"	18.033823
"793737"	1398.261823	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+NH4"	18.033823
"1692254"	478.109823	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+NH4"	18.033823
"341627"	469.5965495	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+H+NH4"	19.041099
"726393"	699.6345495	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+H+NH4"	19.041099
"1486785"	239.5585495	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H+NH4"	19.041099
"398906"	943.141218	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+Na"	22.989218
"757714"	1403.217218	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+Na"	22.989218
"1617845"	483.065218	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Na"	22.989218
"329228"	472.074247	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+H+Na"	23.996494
"721765"	702.112247	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+H+Na"	23.996494
"1475218"	242.036247	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H+Na"	23.996494
"1067007"	161.693256666667	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2H+Na"	25.00377
"1270873"	493.109486	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+CH3OH+H"	33.033486
"387625"	959.115158	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+K"	38.963158
"747525"	1419.191158	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+K"	38.963158
"1548485"	499.039158	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+K"	38.963158
"307849"	480.061217	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+H+K"	39.970434
"703554"	710.099217	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+H+K"	39.970434
"1455184"	250.023217	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H+K"	39.970434
"245973"	962.185826	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+ACN+H"	42.033826
"1218680"	502.109826	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+ACN+H"	42.033826
"1204748"	251.558551	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+ACN+2H"	43.041102
"201636"	965.12316	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+2Na-H"	44.97116
"638279"	1425.19916	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+2Na-H"	44.97116
"1141786"	505.04716	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2Na-H"	44.97116
"181797"	483.065218	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+2Na"	45.978436
"615162"	713.103218	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+2Na"	45.978436
"1123771"	253.027218	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2Na"	45.978436
"1400734"	169.020570666667	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H+2Na"	46.985712
"1432849"	507.088746	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H+HCOOH"	47.012746
"224000"	488.09824	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+3H2O+2H"	56.04448
"1510970"	521.14079	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+IsoProp+H"	61.06479
"416855"	491.052188	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+Na+K"	61.952376
"778943"	721.090188	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+Na+K"	61.952376
"1676012"	261.014188	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Na+K"	61.952376
"259614"	984.167768	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+ACN+Na"	64.015768
"1234508"	524.091768	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+ACN+Na"	64.015768
"1722302"	524.115293	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+NH4+HCOOH"	64.039293
"1186563"	176.347884666667	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+3Na"	68.967654
"1663382"	529.070688	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Na+HCOOH"	68.994688
"172564"	997.07104	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+2K-H"	76.91904
"611630"	1457.14704	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+2K-H"	76.91904
"1098696"	536.99504	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2K-H"	76.91904
"156365"	499.039158	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"2M+2K"	77.926316
"596771"	729.077158	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"3M+2K"	77.926316
"1083719"	269.001158	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2K"	77.926316
"1114982"	539.009592	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2K+H"	78.933592
"1350999"	539.097207	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+DMSO+H"	79.021207
"1020497"	543.136376	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2ACN+H"	83.060376
"1539439"	544.130008	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+IsoProp+Na+H"	84.054008
"999722"	272.071826	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+2ACN+2H"	84.067652
"1594225"	545.044628	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+K+HCOOH"	84.968628
"1429367"	575.076138	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+H+CF3COOH"	115.000138
"1161845"	292.585101	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+3ACN+2H"	125.094202
"1707385"	592.102685	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+NH4+CF3COOH"	132.026685
"1645220"	597.05808	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+Na+CF3COOH"	136.98208
"1579777"	613.03202	"C03486"	"CDP-N-methylethanolamine"	"C12H22N4O11P2"	"460.076"	"M+K+CF3COOH"	152.95602
"802125"	299.077	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M"	0
"974565"	280.05861	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-H2O-H"	-19.01839
"63284"	198.377390666667	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M-3H"	-3.021828
"507107"	298.069724	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M-3H"	-3.021828
"884909"	98.6850573333333	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-3H"	-3.021828
"4577"	298.069724	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M-2H"	-2.014552
"441949"	447.608224	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M-2H"	-2.014552
"820119"	148.531224	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-2H"	-2.014552
"85217"	597.146724	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M-H"	-1.007276
"522953"	896.223724	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M-H"	-1.007276
"901482"	298.069724	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-H"	-1.007276
"50024"	614.173271	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M-2H+NH4"	16.019271
"496518"	913.250271	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M-2H+NH4"	16.019271
"872133"	315.096271	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-2H+NH4"	16.019271
"42220"	619.128666	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M-2H+Na"	20.974666
"479592"	918.205666	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M-2H+Na"	20.974666
"856309"	320.051666	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-2H+Na"	20.974666
"1626936"	320.051666	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Na-2H"	20.974666
"101276"	316.058063	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M-H+Cl"	33.962126
"543025"	465.596563	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M-H+Cl"	33.962126
"936538"	166.519563	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-H+Cl"	33.962126
"277282"	633.123402	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+Cl"	34.969402
"674689"	932.200402	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+Cl"	34.969402
"1286849"	334.046402	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Cl"	34.969402
"30865"	635.102606	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M-2H+K"	36.948606
"462043"	934.179606	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M-2H+K"	36.948606
"843123"	336.025606	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-2H+K"	36.948606
"1561143"	336.025606	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+K-2H"	36.948606
"949026"	344.075194	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-H+HCOOH"	44.998194
"363960"	643.152201	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+HCOOH-H"	44.998201
"346260"	657.167851	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+Hac-H"	59.013851
"1493266"	358.090851	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Hac-H"	59.013851
"958783"	366.057151	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-H+NaCOOH"	66.980151
"111055"	334.046402	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+2Cl"	69.938804
"551346"	483.584902	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+2Cl"	69.938804
"1025861"	184.507902	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2Cl"	69.938804
"1247632"	377.995885	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Br"	78.918885
"1317007"	380.051872	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Cl+HCOOH"	80.974872
"1330859"	402.033829	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Cl+NaCOOH"	102.956829
"921915"	412.062586	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M-H+CF3COOH"	112.985586
"1301914"	448.039264	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Cl+CF3COOH"	148.962264
"1380928"	264.064324	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H-2H2O"	-35.012676
"1396114"	282.0743	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H-H2O"	-17.0027
"296165"	599.161276	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+H"	1.007276
"689316"	898.238276	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+H"	1.007276
"1364571"	300.084276	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H"	1.007276
"136728"	300.084276	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+2H"	2.014552
"571910"	449.622776	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+2H"	2.014552
"1046177"	150.545776	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2H"	2.014552
"218826"	200.391942666667	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+3H"	3.021828
"654374"	300.084276	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+3H"	3.021828
"1172864"	100.699609333333	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+3H"	3.021828
"427386"	616.187823	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+NH4"	18.033823
"791662"	915.264823	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+NH4"	18.033823
"1690180"	317.110823	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+NH4"	18.033823
"336271"	308.5975495	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+H+NH4"	19.041099
"727606"	458.1360495	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+H+NH4"	19.041099
"1482520"	159.0590495	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H+NH4"	19.041099
"406672"	621.143218	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+Na"	22.989218
"768763"	920.220218	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+Na"	22.989218
"1618161"	322.066218	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Na"	22.989218
"328725"	311.075247	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+H+Na"	23.996494
"720415"	460.613747	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+H+Na"	23.996494
"1473141"	161.536747	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H+Na"	23.996494
"1064203"	108.026923333333	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2H+Na"	25.00377
"1269161"	332.110486	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+CH3OH+H"	33.033486
"386642"	637.117158	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+K"	38.963158
"745449"	936.194158	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+K"	38.963158
"1545317"	338.040158	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+K"	38.963158
"309785"	319.062217	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+H+K"	39.970434
"700381"	468.600717	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+H+K"	39.970434
"1454200"	169.523717	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H+K"	39.970434
"239521"	640.187826	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+ACN+H"	42.033826
"1215510"	341.110826	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+ACN+H"	42.033826
"1203771"	171.059051	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+ACN+2H"	43.041102
"195547"	643.12516	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+2Na-H"	44.97116
"636201"	942.20216	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+2Na-H"	44.97116
"1134242"	344.04816	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2Na-H"	44.97116
"175345"	322.066218	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+2Na"	45.978436
"617094"	471.604718	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+2Na"	45.978436
"1116585"	172.527718	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2Na"	45.978436
"1401208"	115.354237333333	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H+2Na"	46.985712
"1430891"	346.089746	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H+HCOOH"	47.012746
"221197"	327.09924	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+3H2O+2H"	56.04448
"1516186"	360.14179	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+IsoProp+H"	61.06479
"415876"	330.053188	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+Na+K"	61.952376
"781614"	479.591688	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+Na+K"	61.952376
"1676121"	180.514688	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Na+K"	61.952376
"259724"	662.169768	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+ACN+Na"	64.015768
"1234618"	363.092768	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+ACN+Na"	64.015768
"1722410"	363.116293	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+NH4+HCOOH"	64.039293
"1187766"	122.681551333333	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+3Na"	68.967654
"1665551"	368.071688	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Na+HCOOH"	68.994688
"172385"	675.07304	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+2K-H"	76.91904
"610646"	974.15004	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+2K-H"	76.91904
"1099332"	375.99604	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2K-H"	76.91904
"156598"	338.040158	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"2M+2K"	77.926316
"597088"	487.578658	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"3M+2K"	77.926316
"1083623"	188.501658	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2K"	77.926316
"1115513"	378.010592	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2K+H"	78.933592
"1351193"	378.098207	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+DMSO+H"	79.021207
"1021285"	382.137376	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2ACN+H"	83.060376
"1539219"	383.131008	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+IsoProp+Na+H"	84.054008
"1000927"	191.572326	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+2ACN+2H"	84.067652
"1602629"	384.045628	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+K+HCOOH"	84.968628
"1428749"	414.077138	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+H+CF3COOH"	115.000138
"1159765"	212.085601	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+3ACN+2H"	125.094202
"1708587"	431.103685	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+NH4+CF3COOH"	132.026685
"1637676"	436.05908	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+Na+CF3COOH"	136.98208
"1574419"	452.03302	"C03492"	"D-4-Phosphopantothenate;(R)-4-Phosphopantothenate"	"C9H18NO8P"	"299.077"	"M+K+CF3COOH"	152.95602
"813536"	167.0582	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M"	0
"983790"	148.03981	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"68750"	110.364857333333	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"510497"	166.050924	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"885019"	54.6787906666667	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"2500"	166.050924	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"443152"	249.580024	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"823144"	82.521824	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"84232"	333.109124	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"522697"	500.167324	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"898310"	166.050924	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"50863"	350.135671	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"499669"	517.193871	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"875523"	183.077471	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"42329"	355.091066	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"481891"	522.149266	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"857513"	188.032866	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1628139"	188.032866	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"103574"	184.039263	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"545323"	267.568363	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"938837"	100.510163	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"277392"	369.085802	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"674194"	536.144002	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1287324"	202.027602	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"31376"	371.065006	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"463249"	538.123206	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"842144"	204.006806	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1567454"	204.006806	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"953511"	212.056394	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"368445"	379.114601	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"350141"	393.130251	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1496786"	226.072051	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"964326"	234.038351	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"117609"	202.027602	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"554982"	285.556702	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1031440"	118.498502	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1256737"	245.977085	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1318576"	248.033072	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1334257"	270.015029	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"925310"	280.043786	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1302392"	316.020464	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1382380"	132.045524	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1395496"	150.0555	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"295550"	335.123676	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"690648"	502.181876	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1365049"	168.065476	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"136110"	168.065476	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"574210"	251.594576	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1043010"	84.536376	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"215659"	112.379409333333	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"656680"	168.065476	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1175898"	56.6933426666667	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"437710"	352.150223	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"799070"	519.208423	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1693574"	185.092023	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"342219"	176.5787495	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"731727"	260.1078495	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1479350"	93.0496495	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"406423"	357.105618	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"763408"	524.163818	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1611505"	190.047418	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"321543"	179.056447	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"715056"	262.585547	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1466691"	95.527347	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1061032"	64.0206566666667	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1267086"	200.091686	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"390035"	373.079558	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"744469"	540.137758	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1551990"	206.021358	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"306980"	187.043417	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"704869"	270.572517	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1459781"	103.514317	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"249354"	376.150226	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1221091"	209.092026	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1203881"	105.049651	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"198940"	379.08756	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"630846"	546.14576	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1134353"	212.02936	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"175456"	190.047418	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"619391"	273.576518	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1117430"	106.518318	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1398683"	71.3479706666667	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1433071"	214.070946	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"228235"	195.08044	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1515204"	228.12299	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"417080"	198.034388	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"781360"	281.563488	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1678055"	114.505288	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"262021"	398.132168	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1236915"	231.073968	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1723614"	231.097493	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1188970"	78.6752846666667	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1662511"	236.052888	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"169009"	411.03544	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"604197"	578.09364	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1097457"	243.97724	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"153180"	206.021358	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"596836"	289.550458	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1081626"	122.492258	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1113738"	245.991792	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1350732"	246.079407	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1020477"	250.118576	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1537870"	251.112208	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"998850"	125.562926	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1602107"	252.026828	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1424486"	282.058338	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1161941"	146.076201	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1709790"	299.084885	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1636693"	304.04028	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1571653"	320.01422	"C03493"	"D-4-Hydroxyphenylglycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"807085"	202.0242	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M"	0
"975270"	183.00581	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H2O-H"	-19.01839
"63158"	133.675524	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-3H"	-3.021828
"502994"	201.016924	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-3H"	-3.021828
"880039"	66.334124	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-3H"	-3.021828
"1517"	201.016924	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H"	-2.014552
"442169"	302.029024	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H"	-2.014552
"822161"	100.004824	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H"	-2.014552
"82156"	403.041124	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-H"	-1.007276
"522807"	605.065324	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-H"	-1.007276
"899513"	201.016924	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H"	-1.007276
"49880"	420.067671	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H+NH4"	16.019271
"500994"	622.091871	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H+NH4"	16.019271
"876364"	218.043471	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H+NH4"	16.019271
"41346"	425.023066	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H+Na"	20.974666
"483824"	627.047266	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H+Na"	20.974666
"857623"	222.998866	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H+Na"	20.974666
"1624969"	222.998866	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na-2H"	20.974666
"101498"	219.005263	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-H+Cl"	33.962126
"542153"	320.017363	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-H+Cl"	33.962126
"932386"	117.993163	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+Cl"	33.962126
"275316"	439.017802	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Cl"	34.969402
"673210"	641.042002	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+Cl"	34.969402
"1285612"	236.993602	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl"	34.969402
"28169"	440.997006	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H+K"	36.948606
"466638"	643.021206	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H+K"	36.948606
"843347"	238.972806	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H+K"	36.948606
"1567927"	238.972806	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K-2H"	36.948606
"948154"	247.022394	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+HCOOH"	44.998194
"365275"	449.046601	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+HCOOH-H"	44.998201
"346971"	463.062251	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Hac-H"	59.013851
"1496165"	261.038051	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Hac-H"	59.013851
"962248"	269.004351	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+NaCOOH"	66.980151
"112252"	236.993602	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2Cl"	69.938804
"552906"	338.005702	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2Cl"	69.938804
"1031550"	135.981502	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2Cl"	69.938804
"1247852"	280.943085	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Br"	78.918885
"1313580"	282.999072	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl+HCOOH"	80.974872
"1333262"	304.981029	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl+NaCOOH"	102.956829
"924325"	315.009786	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+CF3COOH"	112.985586
"1302859"	350.986464	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl+CF3COOH"	148.962264
"1380654"	167.011524	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H-2H2O"	-35.012676
"1391224"	185.0215	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H-H2O"	-17.0027
"296753"	405.055676	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H"	1.007276
"690759"	607.079876	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H"	1.007276
"1365649"	203.031476	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H"	1.007276
"138776"	203.031476	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2H"	2.014552
"578334"	304.043576	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2H"	2.014552
"1046400"	102.019376	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2H"	2.014552
"216496"	135.690076	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+3H"	3.021828
"656788"	203.031476	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+3H"	3.021828
"1176250"	68.348676	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+3H"	3.021828
"436359"	422.082223	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+NH4"	18.033823
"799543"	624.106423	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+NH4"	18.033823
"1688215"	220.058023	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+NH4"	18.033823
"342329"	211.5447495	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H+NH4"	19.041099
"733660"	312.5568495	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H+NH4"	19.041099
"1484928"	110.5326495	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+NH4"	19.041099
"407262"	427.037618	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Na"	22.989218
"764612"	629.061818	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+Na"	22.989218
"1612708"	225.013418	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na"	22.989218
"322746"	214.022447	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H+Na"	23.996494
"712981"	315.034547	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H+Na"	23.996494
"1466802"	113.010347	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+Na"	23.996494
"1062236"	75.67599	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2H+Na"	25.00377
"1268289"	235.057686	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+CH3OH+H"	33.033486
"390510"	443.011558	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+K"	38.963158
"746766"	645.035758	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+K"	38.963158
"1552100"	240.987358	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K"	38.963158
"310007"	222.009417	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H+K"	39.970434
"705345"	323.021517	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H+K"	39.970434
"1459044"	120.997317	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+K"	39.970434
"249585"	446.082226	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+ACN+H"	42.033826
"1223387"	244.058026	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+ACN+H"	42.033826
"1208364"	122.532651	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+ACN+2H"	43.041102
"196863"	449.01956	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2Na-H"	44.97116
"629134"	651.04376	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2Na-H"	44.97116
"1137744"	246.99536	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2Na-H"	44.97116
"178847"	225.013418	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2Na"	45.978436
"617313"	326.025518	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2Na"	45.978436
"1124100"	124.001318	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2Na"	45.978436
"1401065"	83.003304	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+2Na"	46.985712
"1436461"	249.036946	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+HCOOH"	47.012746
"228346"	230.04644	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+3H2O+2H"	56.04448
"1519324"	263.08899	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+IsoProp+H"	61.06479
"418284"	233.000388	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Na+K"	61.952376
"782565"	334.012488	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+Na+K"	61.952376
"1678167"	131.988288	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na+K"	61.952376
"263591"	468.064168	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+ACN+Na"	64.015768
"1235932"	266.039968	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+ACN+Na"	64.015768
"1724453"	266.063493	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+NH4+HCOOH"	64.039293
"1190903"	90.330618	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+3Na"	68.967654
"1661892"	271.018888	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na+HCOOH"	68.994688
"170821"	480.96744	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2K-H"	76.91904
"611839"	682.99164	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2K-H"	76.91904
"1099270"	278.94324	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2K-H"	76.91904
"157052"	240.987358	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2K"	77.926316
"596498"	341.999458	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2K"	77.926316
"1083073"	139.975258	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2K"	77.926316
"1109473"	280.957792	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2K+H"	78.933592
"1350968"	281.045407	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+DMSO+H"	79.021207
"1020953"	285.084576	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2ACN+H"	83.060376
"1539564"	286.078208	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+IsoProp+Na+H"	84.054008
"1002240"	143.045926	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2ACN+2H"	84.067652
"1601485"	286.992828	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K+HCOOH"	84.968628
"1427512"	317.024338	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+CF3COOH"	115.000138
"1161808"	163.559201	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+3ACN+2H"	125.094202
"1709900"	334.050885	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+NH4+CF3COOH"	132.026685
"1636803"	339.00628	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na+CF3COOH"	136.98208
"1574639"	354.98022	"C03494"	"D-Erythritol 4-phosphate;L-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K+CF3COOH"	152.95602
"808288"	321.0726	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M"	0
"977445"	302.05421	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-H2O-H"	-19.01839
"63134"	213.041124	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M-3H"	-3.021828
"503456"	320.065324	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M-3H"	-3.021828
"880615"	106.016924	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-3H"	-3.021828
"3813"	320.065324	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M-2H"	-2.014552
"442279"	480.601624	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M-2H"	-2.014552
"824457"	159.529024	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-2H"	-2.014552
"86638"	641.137924	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M-H"	-1.007276
"521823"	962.210524	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M-H"	-1.007276
"901081"	320.065324	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-H"	-1.007276
"49017"	658.164471	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M-2H+NH4"	16.019271
"501953"	979.237071	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M-2H+NH4"	16.019271
"877930"	337.091871	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-2H+NH4"	16.019271
"42549"	663.119866	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M-2H+Na"	20.974666
"482108"	984.192466	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M-2H+Na"	20.974666
"855542"	342.047266	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-2H+Na"	20.974666
"1622887"	342.047266	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Na-2H"	20.974666
"105980"	338.053663	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M-H+Cl"	33.962126
"545178"	498.589963	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M-H+Cl"	33.962126
"933589"	177.517363	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-H+Cl"	33.962126
"277612"	677.114602	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+Cl"	34.969402
"674051"	998.187202	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+Cl"	34.969402
"1287180"	356.042002	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Cl"	34.969402
"30466"	679.093806	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M-2H+K"	36.948606
"468934"	1000.166406	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M-2H+K"	36.948606
"845643"	358.021206	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-2H+K"	36.948606
"1567673"	358.021206	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+K-2H"	36.948606
"948264"	366.070794	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-H+HCOOH"	44.998194
"364655"	687.143401	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+HCOOH-H"	44.998201
"352544"	701.159051	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+Hac-H"	59.013851
"1499555"	380.086451	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Hac-H"	59.013851
"965637"	388.052751	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-H+NaCOOH"	66.980151
"115641"	356.042002	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+2Cl"	69.938804
"556297"	516.578302	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+2Cl"	69.938804
"1031660"	195.505702	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2Cl"	69.938804
"1252335"	399.991485	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Br"	78.918885
"1318065"	402.047472	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Cl+HCOOH"	80.974872
"1333374"	424.029429	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Cl+NaCOOH"	102.956829
"926137"	434.058186	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M-H+CF3COOH"	112.985586
"1302604"	470.034864	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Cl+CF3COOH"	148.962264
"1380764"	286.059924	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H-2H2O"	-35.012676
"1394614"	304.0699	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H-H2O"	-17.0027
"298311"	643.152476	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+H"	1.007276
"690381"	964.225076	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+H"	1.007276
"1365636"	322.079876	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H"	1.007276
"140591"	322.079876	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+2H"	2.014552
"580631"	482.616176	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+2H"	2.014552
"1050522"	161.543576	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2H"	2.014552
"218792"	215.055676	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+3H"	3.021828
"658480"	322.079876	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+3H"	3.021828
"1177814"	108.031476	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+3H"	3.021828
"437198"	660.179023	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+NH4"	18.033823
"797827"	981.251623	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+NH4"	18.033823
"1688325"	339.106423	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+NH4"	18.033823
"344624"	330.5931495	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+H+NH4"	19.041099
"731212"	491.1294495	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+H+NH4"	19.041099
"1481755"	170.0568495	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H+NH4"	19.041099
"404809"	665.134418	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+Na"	22.989218
"764721"	986.207018	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+Na"	22.989218
"1615977"	344.061818	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Na"	22.989218
"326135"	333.070847	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+H+Na"	23.996494
"717462"	493.607147	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+H+Na"	23.996494
"1471283"	172.534547	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H+Na"	23.996494
"1060159"	115.35879	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2H+Na"	25.00377
"1268399"	354.106086	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+CH3OH+H"	33.033486
"389162"	681.108358	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+K"	38.963158
"746876"	1002.180958	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+K"	38.963158
"1552210"	360.035758	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+K"	38.963158
"309388"	341.057817	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+H+K"	39.970434
"703268"	501.594117	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+H+K"	39.970434
"1458181"	180.521517	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H+K"	39.970434
"249694"	684.179026	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+ACN+H"	42.033826
"1224105"	363.106426	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+ACN+H"	42.033826
"1208111"	182.056851	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+ACN+2H"	43.041102
"191506"	687.11636	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+2Na-H"	44.97116
"629362"	1008.18896	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+2Na-H"	44.97116
"1131899"	366.04376	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2Na-H"	44.97116
"176770"	344.061818	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+2Na"	45.978436
"617423"	504.598118	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+2Na"	45.978436
"1124210"	183.525518	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2Na"	45.978436
"1402269"	122.686104	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H+2Na"	46.985712
"1438758"	368.085346	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H+HCOOH"	47.012746
"230642"	349.09484	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+3H2O+2H"	56.04448
"1518708"	382.13739	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+IsoProp+H"	61.06479
"420581"	352.048788	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+Na+K"	61.952376
"780486"	512.585088	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+Na+K"	61.952376
"1676819"	191.512488	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Na+K"	61.952376
"265522"	706.160968	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+ACN+Na"	64.015768
"1237136"	385.088368	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+ACN+Na"	64.015768
"1727480"	385.111893	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+NH4+HCOOH"	64.039293
"1189190"	130.013418	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+3Na"	68.967654
"1664310"	390.067288	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Na+HCOOH"	68.994688
"168135"	719.06424	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+2K-H"	76.91904
"609883"	1040.13684	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+2K-H"	76.91904
"1093304"	397.99164	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2K-H"	76.91904
"149026"	360.035758	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"2M+2K"	77.926316
"594053"	520.572058	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"3M+2K"	77.926316
"1080750"	199.499458	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2K"	77.926316
"1111770"	400.006192	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2K+H"	78.933592
"1347061"	400.093807	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+DMSO+H"	79.021207
"1018872"	404.132976	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2ACN+H"	83.060376
"1538941"	405.126608	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+IsoProp+Na+H"	84.054008
"1001257"	202.570126	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+2ACN+2H"	84.067652
"1599043"	406.041228	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+K+HCOOH"	84.968628
"1428716"	436.072738	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+H+CF3COOH"	115.000138
"1160459"	223.083401	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+3ACN+2H"	125.094202
"1711103"	453.099285	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+NH4+CF3COOH"	132.026685
"1636913"	458.05468	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+Na+CF3COOH"	136.98208
"1573656"	474.02862	"C03495"	"Deoxy-5-methylcytidylate;5-Methyldeoxycytidine 5-phosphate"	"C10H16N3O7P"	"321.0726"	"M+K+CF3COOH"	152.95602
"804026"	132.0786	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M"	0
"975003"	113.06021	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-H2O-H"	-19.01839
"66895"	87.045124	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M-3H"	-3.021828
"509737"	131.071324	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M-3H"	-3.021828
"887537"	43.018924	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-3H"	-3.021828
"14626"	131.071324	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M-2H"	-2.014552
"454426"	197.110624	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M-2H"	-2.014552
"831134"	65.032024	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-2H"	-2.014552
"93192"	263.149924	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M-H"	-1.007276
"534074"	395.228524	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M-H"	-1.007276
"910562"	131.071324	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-H"	-1.007276
"61897"	280.176471	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M-2H+NH4"	16.019271
"499148"	412.255071	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M-2H+NH4"	16.019271
"879667"	148.097871	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-2H+NH4"	16.019271
"45949"	285.131866	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M-2H+Na"	20.974666
"484416"	417.210466	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M-2H+Na"	20.974666
"863560"	153.053266	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-2H+Na"	20.974666
"1631758"	153.053266	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Na-2H"	20.974666
"108284"	149.059663	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M-H+Cl"	33.962126
"549063"	215.098963	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M-H+Cl"	33.962126
"935896"	83.020363	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-H+Cl"	33.962126
"279920"	299.126602	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+Cl"	34.969402
"672339"	431.205202	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+Cl"	34.969402
"1278178"	167.048002	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Cl"	34.969402
"20736"	301.105806	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M-2H+K"	36.948606
"458836"	433.184406	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M-2H+K"	36.948606
"839191"	169.027206	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-2H+K"	36.948606
"1567051"	169.027206	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+K-2H"	36.948606
"948737"	177.076794	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-H+HCOOH"	44.998194
"366952"	309.155401	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+HCOOH-H"	44.998201
"351928"	323.171051	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+Hac-H"	59.013851
"1497482"	191.092451	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Hac-H"	59.013851
"971832"	199.058751	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-H+NaCOOH"	66.980151
"123414"	167.048002	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+2Cl"	69.938804
"562974"	233.087302	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+2Cl"	69.938804
"1031774"	101.008702	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2Cl"	69.938804
"1253540"	210.997485	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Br"	78.918885
"1317821"	213.053472	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Cl+HCOOH"	80.974872
"1334834"	235.035429	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Cl+NaCOOH"	102.956829
"924548"	245.064186	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M-H+CF3COOH"	112.985586
"1301257"	281.040864	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Cl+CF3COOH"	148.962264
"1382108"	97.065924	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H-2H2O"	-35.012676
"1398395"	115.0759	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H-H2O"	-17.0027
"298481"	265.164476	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+H"	1.007276
"690858"	397.243076	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+H"	1.007276
"1366721"	133.085876	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H"	1.007276
"140818"	133.085876	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+2H"	2.014552
"577830"	199.125176	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+2H"	2.014552
"1051006"	67.046576	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2H"	2.014552
"217082"	89.059676	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+3H"	3.021828
"658711"	133.085876	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+3H"	3.021828
"1176952"	45.033476	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+3H"	3.021828
"439133"	282.191023	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+NH4"	18.033823
"797938"	414.269623	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+NH4"	18.033823
"1695368"	150.112423	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+NH4"	18.033823
"342186"	141.5991495	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+H+NH4"	19.041099
"735702"	207.6384495	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+H+NH4"	19.041099
"1488432"	75.5598495	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H+NH4"	19.041099
"406748"	287.146418	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+Na"	22.989218
"769771"	419.225018	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+Na"	22.989218
"1617670"	155.067818	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Na"	22.989218
"327341"	144.076847	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+H+Na"	23.996494
"719761"	210.116147	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+H+Na"	23.996494
"1474680"	78.037547	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H+Na"	23.996494
"1064644"	52.36079	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2H+Na"	25.00377
"1272282"	165.112086	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+CH3OH+H"	33.033486
"390366"	303.120358	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+K"	38.963158
"753186"	435.198958	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+K"	38.963158
"1554146"	171.041758	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+K"	38.963158
"311685"	152.063817	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+H+K"	39.970434
"705928"	218.103117	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+H+K"	39.970434
"1460841"	86.024517	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H+K"	39.970434
"247618"	306.191026	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+ACN+H"	42.033826
"1217050"	174.112426	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+ACN+H"	42.033826
"1198019"	87.559851	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+ACN+2H"	43.041102
"190153"	309.12836	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+2Na-H"	44.97116
"630086"	441.20696	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+2Na-H"	44.97116
"1131963"	177.04976	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2Na-H"	44.97116
"176883"	155.067818	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+2Na"	45.978436
"620817"	221.107118	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+2Na"	45.978436
"1117762"	89.028518	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2Na"	45.978436
"1407849"	59.688104	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H+2Na"	46.985712
"1442153"	179.091346	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H+HCOOH"	47.012746
"231848"	160.10084	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+3H2O+2H"	56.04448
"1514449"	193.14339	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+IsoProp+H"	61.06479
"420332"	163.054788	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+Na+K"	61.952376
"782421"	229.094088	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+Na+K"	61.952376
"1677655"	97.015488	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Na+K"	61.952376
"260168"	328.172968	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+ACN+Na"	64.015768
"1231783"	196.094368	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+ACN+Na"	64.015768
"1720671"	196.117893	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+NH4+HCOOH"	64.039293
"1188941"	67.015418	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+3Na"	68.967654
"1662477"	201.073288	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Na+HCOOH"	68.994688
"169337"	341.07624	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+2K-H"	76.91904
"611329"	473.15484	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+2K-H"	76.91904
"1093413"	208.99764	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2K-H"	76.91904
"155575"	171.041758	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"2M+2K"	77.926316
"594163"	237.081058	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"3M+2K"	77.926316
"1079767"	105.002458	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2K"	77.926316
"1112976"	211.012192	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2K+H"	78.933592
"1347172"	211.099807	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+DMSO+H"	79.021207
"1016795"	215.138976	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2ACN+H"	83.060376
"1538450"	216.132608	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+IsoProp+Na+H"	84.054008
"994816"	108.073126	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+2ACN+2H"	84.067652
"1594784"	217.047228	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+K+HCOOH"	84.968628
"1424817"	247.078738	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+H+CF3COOH"	115.000138
"1158386"	128.586401	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+3ACN+2H"	125.094202
"1711215"	264.105285	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+NH4+CF3COOH"	132.026685
"1648690"	269.06068	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+Na+CF3COOH"	136.98208
"1580330"	285.03462	"C03499"	"Ethyl (R)-3-hydroxybutanoate"	"C6H12O3"	"132.0786"	"M+K+CF3COOH"	152.95602
"801986"	130.063	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M"	0
"974255"	111.04461	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"65911"	85.7013906666667	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"509847"	129.055724	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"884368"	42.3470573333333	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"15305"	129.055724	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"454172"	194.087224	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"831244"	64.024224	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"93423"	259.118724	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"527516"	389.181724	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"911285"	129.055724	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"62128"	276.145271	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"499985"	406.208271	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"878515"	146.082271	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"44966"	281.100666	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"484526"	411.163666	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"859046"	151.037666	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1631861"	151.037666	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"109487"	147.044063	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"547959"	212.075563	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"939655"	82.012563	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"280399"	295.095402	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"672455"	425.158402	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1282667"	165.032402	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"23035"	297.074606	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"466969"	427.137606	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"843312"	167.011606	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1564974"	167.011606	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"951401"	175.061194	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"374721"	305.124201	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"354957"	319.139851	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1508293"	189.076851	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"972307"	197.043151	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"121337"	165.032402	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"563820"	230.063902	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1036262"	100.000902	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1255838"	208.981885	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1319277"	211.037872	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1335597"	233.019829	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"926617"	243.048586	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1304045"	279.025264	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1382214"	95.050324	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1396669"	113.0603	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"298453"	261.133276	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"690238"	391.196276	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1366791"	131.070276	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H"	1.007276
"140570"	131.070276	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"580977"	196.101776	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1051115"	66.038776	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"216833"	87.7159426666667	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"657121"	131.070276	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1176339"	44.3616093333333	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"438153"	278.159823	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"800239"	408.222823	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1691830"	148.096823	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"342296"	139.5835495	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"730343"	204.6150495	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1491459"	74.5520495	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"408402"	283.115218	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"769688"	413.178218	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1618146"	153.052218	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"327453"	142.061247	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"718780"	207.092747	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1476372"	77.029747	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1065847"	51.6889233333333	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1270445"	163.096486	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"391207"	299.089158	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"752566"	429.152158	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1552432"	169.026158	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+K"	38.963158
"313254"	150.048217	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"706772"	215.079717	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1460594"	85.016717	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"251133"	302.159826	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1220441"	172.096826	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1198859"	86.552051	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"190025"	305.09716	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"629343"	435.16016	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1132480"	175.03416	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"176993"	153.052218	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"620927"	218.083718	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1121152"	88.020718	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1409052"	59.0162373333333	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1442263"	177.075746	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"234148"	158.08524	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1520026"	191.12779	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"421534"	161.039188	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"784717"	226.070688	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1674851"	96.007688	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"262466"	324.141768	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1231893"	194.078768	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1723698"	194.102293	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1193061"	66.3435513333333	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1662590"	199.057688	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"171272"	337.04504	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"612532"	467.10804	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1096804"	206.98204	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"156781"	169.026158	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"596703"	234.057658	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1082794"	103.994658	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1114668"	208.996592	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1345095"	209.084207	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1019092"	213.123376	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1538803"	214.117008	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"996019"	107.065326	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1598175"	215.031628	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1423835"	245.063138	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1161777"	127.578601	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1710961"	262.089685	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1646613"	267.04508	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1580440"	283.01902	"C03500"	"Ethyl 3-oxobutanoate;Ethyl acetoacetate"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"802059"	400.1158	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M"	0
"974312"	381.09741	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"63464"	265.736590666667	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"502926"	399.108524	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"887757"	132.364657333333	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"10711"	399.108524	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"453918"	599.166424	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"829167"	199.050624	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"92927"	799.224324	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"528719"	1199.340124	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"910656"	399.108524	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"60899"	816.250871	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"494992"	1216.366671	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"877896"	416.135071	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"39608"	821.206266	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"483542"	1221.322066	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"855876"	421.090466	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1629784"	421.090466	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"109356"	417.096863	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"548068"	617.154763	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"941222"	217.038963	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"279413"	835.201002	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"672926"	1235.316802	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1281683"	435.085202	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"26426"	837.180206	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"464892"	1237.296006	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"840506"	437.064406	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1560712"	437.064406	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"947502"	445.113994	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"373008"	845.229801	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"351787"	859.245451	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1504994"	459.129651	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"972417"	467.095951	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"122540"	435.085202	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"562834"	635.143102	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1036005"	235.027302	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1251572"	479.034685	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1319795"	481.090672	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1335256"	503.072629	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"926920"	513.101386	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1303792"	549.078064	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1382525"	365.103124	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1397872"	383.1131	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"297923"	801.238876	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"690830"	1201.354676	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1366573"	401.123076	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"140433"	401.123076	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"580845"	601.180976	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1050494"	201.065176	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"217670"	267.751142666667	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"657231"	401.123076	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1176083"	134.379209333333	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"438623"	818.265423	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"799621"	1218.381223	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1694125"	418.149623	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"342406"	409.6363495	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"728266"	609.6942495	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1482087"	209.5784495	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"399675"	823.220818	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"769710"	1223.336618	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1617278"	423.105018	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"328656"	412.114047	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"718890"	612.171947	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1476484"	212.056147	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1065958"	141.706523333333	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1270919"	433.149286	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"390952"	839.194758	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"751950"	1239.310558	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1552542"	439.078958	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"312997"	420.101017	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"705060"	620.158917	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1460905"	220.043117	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"250026"	842.265426	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1217271"	442.149626	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1200063"	221.578451	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"188756"	845.20276	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"628623"	1245.31856	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1131532"	445.08696	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"177103"	423.105018	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"617757"	623.162918	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1121262"	223.047118	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1410255"	149.033837333333	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1444559"	447.128546	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"234258"	428.13804	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1519772"	461.18059	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"422008"	431.091988	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"784100"	631.149888	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1677878"	231.034088	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"264765"	864.247368	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1237471"	464.131568	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1728142"	464.155093	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1193820"	156.361151333333	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1664522"	469.110488	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"171625"	877.15064	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"612156"	1277.26644	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1095820"	477.03484	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"155913"	439.078958	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"592193"	639.136858	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1083633"	239.021058	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1113197"	479.049392	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1345205"	479.137007	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1019202"	483.176176	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1538183"	484.169808	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"997222"	242.091726	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1593911"	485.084428	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1420663"	515.115938	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1157513"	262.605001	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1705968"	532.142485	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1646723"	537.09788	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1580550"	553.07182	"C03502"	"Flavonol 3-O-D-galactoside"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"801925"	386.1002	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M"	0
"974678"	367.08181	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-H2O-H"	-19.01839
"63405"	256.392857333333	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M-3H"	-3.021828
"503210"	385.092924	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M-3H"	-3.021828
"886774"	127.692790666667	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-3H"	-3.021828
"9728"	385.092924	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M-2H"	-2.014552
"453663"	578.143024	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M-2H"	-2.014552
"829277"	192.042824	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-2H"	-2.014552
"92066"	771.193124	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M-H"	-1.007276
"527736"	1157.293324	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M-H"	-1.007276
"910401"	385.092924	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-H"	-1.007276
"57729"	788.219671	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M-2H+NH4"	16.019271
"495102"	1174.319871	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M-2H+NH4"	16.019271
"877522"	402.119471	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-2H+NH4"	16.019271
"38625"	793.175066	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M-2H+Na"	20.974666
"482559"	1179.275266	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M-2H+Na"	20.974666
"855986"	407.074866	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-2H+Na"	20.974666
"1628801"	407.074866	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Na-2H"	20.974666
"108859"	403.081263	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M-H+Cl"	33.962126
"548178"	596.131363	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M-H+Cl"	33.962126
"941332"	210.031163	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-H+Cl"	33.962126
"278428"	807.169802	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+Cl"	34.969402
"672306"	1193.270002	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+Cl"	34.969402
"1279605"	421.069602	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Cl"	34.969402
"25442"	809.149006	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M-2H+K"	36.948606
"462815"	1195.249206	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M-2H+K"	36.948606
"842439"	423.048806	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-2H+K"	36.948606
"1560822"	423.048806	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+K-2H"	36.948606
"950892"	431.098394	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-H+HCOOH"	44.998194
"375306"	817.198601	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+HCOOH-H"	44.998201
"355177"	831.214251	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+Hac-H"	59.013851
"1502553"	445.114051	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Hac-H"	59.013851
"967180"	453.080351	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-H+NaCOOH"	66.980151
"124837"	421.069602	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+2Cl"	69.938804
"564039"	614.119702	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+2Cl"	69.938804
"1035389"	228.019502	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2Cl"	69.938804
"1253868"	465.019085	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Br"	78.918885
"1319843"	467.075072	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Cl+HCOOH"	80.974872
"1335583"	489.057029	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Cl+NaCOOH"	102.956829
"926866"	499.085786	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M-H+CF3COOH"	112.985586
"1303537"	535.062464	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Cl+CF3COOH"	148.962264
"1382553"	351.087524	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H-2H2O"	-35.012676
"1397253"	369.0975	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H-H2O"	-17.0027
"295480"	773.207676	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+H"	1.007276
"689724"	1159.307876	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+H"	1.007276
"1366887"	387.107476	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H"	1.007276
"140425"	387.107476	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+2H"	2.014552
"580590"	580.157576	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+2H"	2.014552
"1048052"	194.057376	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2H"	2.014552
"214862"	258.407409333333	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+3H"	3.021828
"656612"	387.107476	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+3H"	3.021828
"1177647"	129.707342666667	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+3H"	3.021828
"438733"	790.234223	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+NH4"	18.033823
"799730"	1176.334423	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+NH4"	18.033823
"1693142"	404.134023	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+NH4"	18.033823
"338140"	395.6207495	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+H+NH4"	19.041099
"730563"	588.6708495	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+H+NH4"	19.041099
"1480010"	202.5706495	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H+NH4"	19.041099
"399785"	795.189618	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+Na"	22.989218
"767346"	1181.289818	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+Na"	22.989218
"1617024"	409.089418	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Na"	22.989218
"326580"	398.098447	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+H+Na"	23.996494
"716814"	591.148547	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+H+Na"	23.996494
"1476593"	205.048347	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H+Na"	23.996494
"1066068"	137.034656666667	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2H+Na"	25.00377
"1270907"	419.133686	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+CH3OH+H"	33.033486
"388509"	811.163558	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+K"	38.963158
"751694"	1197.263758	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+K"	38.963158
"1553017"	425.063358	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+K"	38.963158
"307641"	406.085417	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+H+K"	39.970434
"704076"	599.135517	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+H+K"	39.970434
"1460080"	213.035317	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H+K"	39.970434
"249040"	814.234226	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+ACN+H"	42.033826
"1216287"	428.134026	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+ACN+H"	42.033826
"1195068"	214.570651	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+ACN+2H"	43.041102
"189760"	817.17156	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+2Na-H"	44.97116
"628537"	1203.27176	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+2Na-H"	44.97116
"1131392"	431.07136	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2Na-H"	44.97116
"175023"	409.089418	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+2Na"	45.978436
"613855"	602.139518	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+2Na"	45.978436
"1116632"	216.039318	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2Na"	45.978436
"1403071"	144.361970666667	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H+2Na"	46.985712
"1432273"	433.112946	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H+HCOOH"	47.012746
"227803"	414.12244	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+3H2O+2H"	56.04448
"1519882"	447.16499	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+IsoProp+H"	61.06479
"419931"	417.076388	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+Na+K"	61.952376
"785184"	610.126488	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+Na+K"	61.952376
"1675071"	224.026288	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Na+K"	61.952376
"264875"	836.216168	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+ACN+Na"	64.015768
"1237582"	450.115968	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+ACN+Na"	64.015768
"1726105"	450.139493	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+NH4+HCOOH"	64.039293
"1192186"	151.689284666667	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+3Na"	68.967654
"1664265"	455.094888	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Na+HCOOH"	68.994688
"172220"	849.11944	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+2K-H"	76.91904
"612022"	1235.21964	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+2K-H"	76.91904
"1095929"	463.01924	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2K-H"	76.91904
"153837"	425.063358	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"2M+2K"	77.926316
"592303"	618.113458	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"3M+2K"	77.926316
"1081191"	232.013258	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2K"	77.926316
"1112211"	465.033792	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2K+H"	78.933592
"1342035"	465.121407	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+DMSO+H"	79.021207
"1017125"	469.160576	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2ACN+H"	83.060376
"1535253"	470.154208	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+IsoProp+Na+H"	84.054008
"997332"	235.083926	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+2ACN+2H"	84.067652
"1594021"	471.068828	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+K+HCOOH"	84.968628
"1418586"	501.100338	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+H+CF3COOH"	115.000138
"1157623"	255.597201	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+3ACN+2H"	125.094202
"1702798"	518.126885	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+NH4+CF3COOH"	132.026685
"1645010"	523.08228	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+Na+CF3COOH"	136.98208
"1580660"	539.05622	"C03503"	"Glucosyloxyanthraquinone"	"C20H18O8"	"386.1002"	"M+K+CF3COOH"	152.95602
"804466"	154.0031	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M"	0
"976901"	134.98471	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-H2O-H"	-19.01839
"64049"	101.661457333333	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M-3H"	-3.021828
"504704"	152.995824	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M-3H"	-3.021828
"886884"	50.3270906666667	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-3H"	-3.021828
"9474"	152.995824	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M-2H"	-2.014552
"453773"	229.997374	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M-2H"	-2.014552
"829024"	75.994274	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-2H"	-2.014552
"93757"	306.998924	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M-H"	-1.007276
"533071"	461.002024	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M-H"	-1.007276
"910390"	152.995824	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-H"	-1.007276
"57839"	324.025471	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M-2H+NH4"	16.019271
"495212"	478.028571	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M-2H+NH4"	16.019271
"876293"	170.022371	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-2H+NH4"	16.019271
"39828"	328.980866	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M-2H+Na"	20.974666
"480482"	482.983966	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M-2H+Na"	20.974666
"852815"	174.977766	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-2H+Na"	20.974666
"1628911"	174.977766	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Na-2H"	20.974666
"107998"	170.984163	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M-H+Cl"	33.962126
"547194"	247.985713	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M-H+Cl"	33.962126
"939619"	93.982613	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-H+Cl"	33.962126
"279632"	342.975602	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+Cl"	34.969402
"671320"	496.978702	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+Cl"	34.969402
"1280807"	188.972502	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Cl"	34.969402
"24457"	344.954806	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M-2H+K"	36.948606
"461831"	498.957906	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M-2H+K"	36.948606
"840726"	190.951706	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-2H+K"	36.948606
"1562025"	190.951706	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+K-2H"	36.948606
"951002"	199.001294	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-H+HCOOH"	44.998194
"375416"	353.004401	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+HCOOH-H"	44.998201
"352007"	367.020051	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+Hac-H"	59.013851
"1504120"	213.016951	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Hac-H"	59.013851
"968384"	220.983251	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-H+NaCOOH"	66.980151
"122761"	188.972502	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+2Cl"	69.938804
"563785"	265.974052	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+2Cl"	69.938804
"1033311"	111.970952	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2Cl"	69.938804
"1251793"	232.921985	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Br"	78.918885
"1319724"	234.977972	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Cl+HCOOH"	80.974872
"1335275"	256.959929	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Cl+NaCOOH"	102.956829
"926825"	266.988686	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M-H+CF3COOH"	112.985586
"1303769"	302.965364	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Cl+CF3COOH"	148.962264
"1381198"	118.990424	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H-2H2O"	-35.012676
"1398053"	137.0004	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H-H2O"	-17.0027
"295590"	309.013476	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+H"	1.007276
"691013"	463.016576	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+H"	1.007276
"1365824"	155.010376	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H"	1.007276
"140656"	155.010376	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+2H"	2.014552
"580458"	232.011926	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+2H"	2.014552
"1051443"	78.008826	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2H"	2.014552
"216067"	103.676009333333	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+3H"	3.021828
"657816"	155.010376	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+3H"	3.021828
"1177396"	52.3416426666667	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+3H"	3.021828
"438479"	326.040023	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+NH4"	18.033823
"800448"	480.043123	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+NH4"	18.033823
"1693982"	172.036923	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+NH4"	18.033823
"338250"	163.5236495	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+H+NH4"	19.041099
"730673"	240.5251995	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+H+NH4"	19.041099
"1480120"	86.5220995	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H+NH4"	19.041099
"399895"	330.995418	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+Na"	22.989218
"756515"	484.998518	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+Na"	22.989218
"1617621"	176.992318	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Na"	22.989218
"324503"	166.001347	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+H+Na"	23.996494
"715830"	243.002897	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+H+Na"	23.996494
"1475001"	88.999797	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H+Na"	23.996494
"1065084"	59.6689566666667	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2H+Na"	25.00377
"1270045"	187.036586	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+CH3OH+H"	33.033486
"388619"	346.969358	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+K"	38.963158
"749615"	500.972458	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+K"	38.963158
"1550574"	192.966258	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+K"	38.963158
"309938"	173.988317	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+H+K"	39.970434
"703094"	250.989867	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+H+K"	39.970434
"1459097"	96.986767	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H+K"	39.970434
"250245"	350.040026	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+ACN+H"	42.033826
"1217490"	196.036926	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+ACN+H"	42.033826
"1194570"	98.522101	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+ACN+2H"	43.041102
"191328"	352.97736	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+2Na-H"	44.97116
"628863"	506.98046	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+2Na-H"	44.97116
"1131597"	198.97426	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2Na-H"	44.97116
"177320"	176.992318	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+2Na"	45.978436
"615058"	253.993868	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+2Na"	45.978436
"1119294"	99.990768	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2Na"	45.978436
"1403910"	66.9962706666667	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H+2Na"	46.985712
"1437122"	201.015846	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H+HCOOH"	47.012746
"227913"	182.02534	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+3H2O+2H"	56.04448
"1520356"	215.06789	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+IsoProp+H"	61.06479
"422232"	184.979288	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+Na+K"	61.952376
"784320"	261.980838	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+Na+K"	61.952376
"1680284"	107.977738	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Na+K"	61.952376
"265715"	372.021968	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+ACN+Na"	64.015768
"1239880"	218.018868	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+ACN+Na"	64.015768
"1726216"	218.042393	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+NH4+HCOOH"	64.039293
"1192905"	74.3235846666667	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+3Na"	68.967654
"1664134"	222.997788	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Na+HCOOH"	68.994688
"171482"	384.92524	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+2K-H"	76.91904
"612012"	538.92834	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+2K-H"	76.91904
"1096039"	230.92214	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2K-H"	76.91904
"155529"	192.966258	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"2M+2K"	77.926316
"594600"	269.967808	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"3M+2K"	77.926316
"1083733"	115.964708	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2K"	77.926316
"1113414"	232.936692	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2K+H"	78.933592
"1342145"	233.024307	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+DMSO+H"	79.021207
"1018329"	237.063476	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2ACN+H"	83.060376
"1534270"	238.057108	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+IsoProp+Na+H"	84.054008
"997442"	119.035376	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+2ACN+2H"	84.067652
"1594131"	238.971728	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+K+HCOOH"	84.968628
"1417603"	269.003238	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+H+CF3COOH"	115.000138
"1157733"	139.548651	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+3ACN+2H"	125.094202
"1700721"	286.029785	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+NH4+CF3COOH"	132.026685
"1646943"	290.98518	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+Na+CF3COOH"	136.98208
"1580770"	306.95912	"C03505"	"Hydroxyacetone phosphate;Acetol phosphate"	"C3H7O5P"	"154.0031"	"M+K+CF3COOH"	152.95602
"805669"	287.0559	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M"	0
"974319"	268.03751	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-H2O-H"	-19.01839
"63553"	190.363324	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M-3H"	-3.021828
"504815"	286.048624	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M-3H"	-3.021828
"886994"	94.678024	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-3H"	-3.021828
"13228"	286.048624	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M-2H"	-2.014552
"453886"	429.576574	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M-2H"	-2.014552
"832777"	142.520674	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-2H"	-2.014552
"94262"	573.104524	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M-H"	-1.007276
"533181"	860.160424	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M-H"	-1.007276
"910011"	286.048624	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-H"	-1.007276
"57949"	590.131071	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M-2H+NH4"	16.019271
"502250"	877.186971	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M-2H+NH4"	16.019271
"878590"	303.075171	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-2H+NH4"	16.019271
"39938"	595.086466	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M-2H+Na"	20.974666
"480592"	882.142366	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M-2H+Na"	20.974666
"856205"	308.030566	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-2H+Na"	20.974666
"1630117"	308.030566	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Na-2H"	20.974666
"107744"	304.036963	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M-H+Cl"	33.962126
"548399"	447.564913	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M-H+Cl"	33.962126
"939729"	160.509013	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-H+Cl"	33.962126
"279743"	609.081202	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+Cl"	34.969402
"672523"	896.137102	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+Cl"	34.969402
"1279824"	322.025302	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Cl"	34.969402
"25662"	611.060406	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M-2H+K"	36.948606
"464128"	898.116306	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M-2H+K"	36.948606
"840836"	324.004506	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-2H+K"	36.948606
"1563229"	324.004506	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+K-2H"	36.948606
"957309"	332.054094	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-H+HCOOH"	44.998194
"375161"	619.110001	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+HCOOH-H"	44.998201
"352117"	633.125651	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+Hac-H"	59.013851
"1506417"	346.069751	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Hac-H"	59.013851
"969586"	354.036051	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-H+NaCOOH"	66.980151
"122874"	322.025302	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+2Cl"	69.938804
"563898"	465.553252	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+2Cl"	69.938804
"1034881"	178.497352	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2Cl"	69.938804
"1252269"	365.974785	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Br"	78.918885
"1319681"	368.030772	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Cl+HCOOH"	80.974872
"1334779"	390.012729	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Cl+NaCOOH"	102.956829
"926901"	400.041486	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M-H+CF3COOH"	112.985586
"1303031"	436.018164	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Cl+CF3COOH"	148.962264
"1382157"	252.043224	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H-2H2O"	-35.012676
"1397230"	270.0532	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H-H2O"	-17.0027
"297282"	575.119076	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+H"	1.007276
"691316"	862.174976	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+H"	1.007276
"1366753"	288.063176	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H"	1.007276
"141314"	288.063176	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+2H"	2.014552
"581167"	431.591126	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+2H"	2.014552
"1052528"	144.535226	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2H"	2.014552
"219089"	192.377876	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+3H"	3.021828
"659667"	288.063176	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+3H"	3.021828
"1174222"	96.692576	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+3H"	3.021828
"436401"	592.145623	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+NH4"	18.033823
"794843"	879.201523	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+NH4"	18.033823
"1692633"	305.089723	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+NH4"	18.033823
"338360"	296.5764495	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+H+NH4"	19.041099
"731876"	440.1043995	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+H+NH4"	19.041099
"1488978"	153.0484995	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H+NH4"	19.041099
"400005"	597.101018	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+Na"	22.989218
"758812"	884.156918	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+Na"	22.989218
"1618175"	310.045118	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Na"	22.989218
"326437"	299.054147	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+H+Na"	23.996494
"715940"	442.582097	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+H+Na"	23.996494
"1475838"	155.526197	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H+Na"	23.996494
"1067017"	104.01989	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2H+Na"	25.00377
"1270152"	320.089386	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+CH3OH+H"	33.033486
"390916"	613.074958	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+K"	38.963158
"750818"	900.130858	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+K"	38.963158
"1554452"	326.019058	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+K"	38.963158
"311141"	307.041117	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+H+K"	39.970434
"706120"	450.569067	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+H+K"	39.970434
"1460786"	163.513167	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H+K"	39.970434
"249627"	616.145626	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+ACN+H"	42.033826
"1223556"	329.089726	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+ACN+H"	42.033826
"1198568"	165.048501	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+ACN+2H"	43.041102
"191074"	619.08296	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+2Na-H"	44.97116
"635009"	906.13886	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+2Na-H"	44.97116
"1135599"	332.02706	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2Na-H"	44.97116
"182897"	310.045118	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+2Na"	45.978436
"614440"	453.573068	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+2Na"	45.978436
"1122684"	166.517168	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2Na"	45.978436
"1405114"	111.347204	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H+2Na"	46.985712
"1440512"	334.068646	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H+HCOOH"	47.012746
"230575"	315.07814	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+3H2O+2H"	56.04448
"1522653"	348.12069	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+IsoProp+H"	61.06479
"424082"	318.032088	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+Na+K"	61.952376
"785596"	461.560038	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+Na+K"	61.952376
"1679667"	174.504138	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Na+K"	61.952376
"265824"	638.127568	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+ACN+Na"	64.015768
"1238897"	351.071668	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+ACN+Na"	64.015768
"1726690"	351.095193	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+NH4+HCOOH"	64.039293
"1193625"	118.674518	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+3Na"	68.967654
"1665419"	356.050588	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Na+HCOOH"	68.994688
"171717"	651.03084	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+2K-H"	76.91904
"612325"	938.08674	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+2K-H"	76.91904
"1097244"	363.97494	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2K-H"	76.91904
"156616"	326.019058	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"2M+2K"	77.926316
"596292"	469.547008	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"3M+2K"	77.926316
"1083723"	182.491108	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2K"	77.926316
"1112431"	365.989492	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2K+H"	78.933592
"1344441"	366.077107	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+DMSO+H"	79.021207
"1019533"	370.116276	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2ACN+H"	83.060376
"1538269"	371.109908	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+IsoProp+Na+H"	84.054008
"997552"	185.561776	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+2ACN+2H"	84.067652
"1595334"	372.024528	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+K+HCOOH"	84.968628
"1419900"	402.056038	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+H+CF3COOH"	115.000138
"1157843"	206.075051	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+3ACN+2H"	125.094202
"1708485"	419.082585	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+NH4+CF3COOH"	132.026685
"1648876"	424.03798	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+Na+CF3COOH"	136.98208
"1580880"	440.01192	"C03506"	"Indoleglycerol phosphate;1-C-(Indol-3-yl)glycerol 3-phosphate;(3-Indolyl)-glycerol phosphate;C1-(3-Indolyl)-glycerol 3-phosphate;(1S2R)-1-C-(Indol-3-yl)glycerol 3-phosphate;Indole-3-glycerol phosphate"	"C11H14NO6P"	"287.0559"	"M+K+CF3COOH"	152.95602
"801551"	117.0426	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M"	0
"974358"	98.02421	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-H2O-H"	-19.01839
"63017"	77.021124	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M-3H"	-3.021828
"502928"	116.035324	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M-3H"	-3.021828
"886011"	38.006924	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-3H"	-3.021828
"12974"	116.035324	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M-2H"	-2.014552
"451806"	174.556624	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M-2H"	-2.014552
"832717"	57.514024	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-2H"	-2.014552
"94249"	233.077924	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M-H"	-1.007276
"532927"	350.120524	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M-H"	-1.007276
"906962"	116.035324	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-H"	-1.007276
"58059"	250.104471	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M-2H+NH4"	16.019271
"500899"	367.147071	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M-2H+NH4"	16.019271
"878700"	133.061871	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-2H+NH4"	16.019271
"41141"	255.059866	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M-2H+Na"	20.974666
"479609"	372.102466	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M-2H+Na"	20.974666
"854128"	138.017266	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-2H+Na"	20.974666
"1630227"	138.017266	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Na-2H"	20.974666
"108946"	134.023663	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M-H+Cl"	33.962126
"549197"	192.544963	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M-H+Cl"	33.962126
"940931"	75.502363	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-H+Cl"	33.962126
"280945"	269.054602	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+Cl"	34.969402
"674457"	386.097202	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+Cl"	34.969402
"1278841"	152.012002	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Cl"	34.969402
"25772"	271.033806	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M-2H+K"	36.948606
"464238"	388.076406	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M-2H+K"	36.948606
"840946"	153.991206	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-2H+K"	36.948606
"1563339"	153.991206	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+K-2H"	36.948606
"956690"	162.040794	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-H+HCOOH"	44.998194
"376243"	279.083401	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+HCOOH-H"	44.998201
"352227"	293.099051	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+Hac-H"	59.013851
"1507499"	176.056451	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Hac-H"	59.013851
"969696"	184.022751	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-H+NaCOOH"	66.980151
"123349"	152.012002	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+2Cl"	69.938804
"563276"	210.533302	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+2Cl"	69.938804
"1033167"	93.490702	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2Cl"	69.938804
"1253472"	195.961485	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Br"	78.918885
"1319810"	198.017472	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Cl+HCOOH"	80.974872
"1333056"	219.999429	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Cl+NaCOOH"	102.956829
"926867"	230.028186	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M-H+CF3COOH"	112.985586
"1303868"	266.004864	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Cl+CF3COOH"	148.962264
"1379716"	82.029924	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H-2H2O"	-35.012676
"1398179"	100.0399	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H-H2O"	-17.0027
"298240"	235.092476	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+H"	1.007276
"690783"	352.135076	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+H"	1.007276
"1366279"	118.049876	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H"	1.007276
"137466"	118.049876	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+2H"	2.014552
"580919"	176.571176	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+2H"	2.014552
"1050569"	59.528576	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2H"	2.014552
"216283"	79.035676	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+3H"	3.021828
"659493"	118.049876	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+3H"	3.021828
"1175059"	40.021476	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+3H"	3.021828
"430677"	252.119023	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+NH4"	18.033823
"789486"	369.161623	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+NH4"	18.033823
"1685816"	135.076423	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+NH4"	18.033823
"336283"	126.5631495	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+H+NH4"	19.041099
"724330"	185.0844495	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+H+NH4"	19.041099
"1489088"	68.0418495	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H+NH4"	19.041099
"400115"	257.074418	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+Na"	22.989218
"756127"	374.117018	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+Na"	22.989218
"1617473"	140.031818	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Na"	22.989218
"322537"	129.040847	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+H+Na"	23.996494
"716049"	187.562147	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+H+Na"	23.996494
"1473152"	70.519547	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H+Na"	23.996494
"1060930"	47.34879	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2H+Na"	25.00377
"1270262"	150.076086	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+CH3OH+H"	33.033486
"387746"	273.048358	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+K"	38.963158
"751657"	390.090958	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+K"	38.963158
"1552983"	156.005758	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+K"	38.963158
"310158"	137.027817	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+H+K"	39.970434
"706592"	195.549117	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+H+K"	39.970434
"1458586"	78.506517	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H+K"	39.970434
"249737"	276.119026	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+ACN+H"	42.033826
"1218804"	159.076426	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+ACN+H"	42.033826
"1198678"	80.041851	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+ACN+2H"	43.041102
"191184"	279.05636	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+2Na-H"	44.97116
"629041"	396.09896	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+2Na-H"	44.97116
"1132914"	162.01376	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2Na-H"	44.97116
"177540"	140.031818	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+2Na"	45.978436
"614913"	198.553118	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+2Na"	45.978436
"1119877"	81.510518	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2Na"	45.978436
"1405224"	54.676104	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H+2Na"	46.985712
"1440258"	164.055346	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H+HCOOH"	47.012746
"233236"	145.06484	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+3H2O+2H"	56.04448
"1522763"	178.10739	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+IsoProp+H"	61.06479
"421355"	148.018788	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+Na+K"	61.952376
"784416"	206.540088	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+Na+K"	61.952376
"1678684"	89.497488	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Na+K"	61.952376
"263748"	298.100968	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+ACN+Na"	64.015768
"1240343"	181.058368	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+ACN+Na"	64.015768
"1727772"	181.081893	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+NH4+HCOOH"	64.039293
"1193735"	62.003418	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+3Na"	68.967654
"1664231"	186.037288	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Na+HCOOH"	68.994688
"171339"	311.00424	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+2K-H"	76.91904
"612598"	428.04684	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+2K-H"	76.91904
"1099059"	193.96164	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2K-H"	76.91904
"156971"	156.005758	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"2M+2K"	77.926316
"595914"	214.527058	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"3M+2K"	77.926316
"1083224"	97.484458	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2K"	77.926316
"1112541"	195.976192	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2K+H"	78.933592
"1343458"	196.063807	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+DMSO+H"	79.021207
"1019643"	200.102976	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2ACN+H"	83.060376
"1534490"	201.096608	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+IsoProp+Na+H"	84.054008
"997662"	100.555126	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+2ACN+2H"	84.067652
"1595444"	202.011228	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+K+HCOOH"	84.968628
"1420010"	232.042738	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+H+CF3COOH"	115.000138
"1157953"	121.068401	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+3ACN+2H"	125.094202
"1708595"	249.069285	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+NH4+CF3COOH"	132.026685
"1648621"	254.02468	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+Na+CF3COOH"	136.98208
"1580990"	269.99862	"C03508"	"L-2-Amino-3-oxobutanoic acid;L-2-Amino-3-oxobutanoate;L-2-Amino-acetoacetate;(S)-2-Amino-3-oxobutanoic acid"	"C4H7NO3"	"117.0426"	"M+K+CF3COOH"	152.95602
"804796"	232.0348	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M"	0
"974521"	213.01641	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H2O-H"	-19.01839
"63484"	153.682590666667	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-3H"	-3.021828
"503942"	231.027524	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-3H"	-3.021828
"886121"	76.3376573333333	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-3H"	-3.021828
"13449"	231.027524	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H"	-2.014552
"453739"	347.044924	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H"	-2.014552
"831542"	115.010124	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H"	-2.014552
"93885"	463.062324	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-H"	-1.007276
"533037"	695.097124	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-H"	-1.007276
"911003"	231.027524	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H"	-1.007276
"61451"	480.088871	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+NH4"	16.019271
"501739"	712.123671	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+NH4"	16.019271
"878210"	248.054071	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+NH4"	16.019271
"40158"	485.044266	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+Na"	20.974666
"477531"	717.079066	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+Na"	20.974666
"856425"	253.009466	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+Na"	20.974666
"1628148"	253.009466	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na-2H"	20.974666
"100302"	249.015863	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-H+Cl"	33.962126
"549593"	365.033263	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-H+Cl"	33.962126
"941405"	132.998463	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+Cl"	33.962126
"281299"	499.039002	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Cl"	34.969402
"674933"	731.073802	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+Cl"	34.969402
"1284417"	267.004202	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl"	34.969402
"25881"	501.018206	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+K"	36.948606
"463254"	733.053006	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+K"	36.948606
"841056"	268.983406	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+K"	36.948606
"1561262"	268.983406	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K-2H"	36.948606
"955707"	277.032994	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+HCOOH"	44.998194
"375503"	509.067801	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+HCOOH-H"	44.998201
"352337"	523.083451	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Hac-H"	59.013851
"1504451"	291.048651	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Hac-H"	59.013851
"971994"	299.014951	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+NaCOOH"	66.980151
"123094"	267.004202	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Cl"	69.938804
"562294"	383.021602	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Cl"	69.938804
"1034004"	150.986802	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2Cl"	69.938804
"1249936"	310.953685	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Br"	78.918885
"1316765"	313.009672	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+HCOOH"	80.974872
"1332437"	334.991629	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+NaCOOH"	102.956829
"926297"	345.020386	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M-H+CF3COOH"	112.985586
"1303693"	380.997064	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+CF3COOH"	148.962264
"1378733"	197.022124	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H-2H2O"	-35.012676
"1397694"	215.0321	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H-H2O"	-17.0027
"298111"	465.076876	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H"	1.007276
"689799"	697.111676	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H"	1.007276
"1365781"	233.042076	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H"	1.007276
"137576"	233.042076	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2H"	2.014552
"577140"	349.059476	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2H"	2.014552
"1048129"	117.024676	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2H"	2.014552
"213114"	155.697142666667	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H"	3.021828
"655954"	233.042076	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+3H"	3.021828
"1168609"	78.3522093333333	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+3H"	3.021828
"424953"	482.103423	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+NH4"	18.033823
"785862"	714.138223	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+NH4"	18.033823
"1683739"	250.068623	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4"	18.033823
"335300"	241.5553495	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+NH4"	19.041099
"723346"	357.5727495	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+NH4"	19.041099
"1477287"	125.5379495	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+NH4"	19.041099
"400225"	487.058818	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na"	22.989218
"759032"	719.093618	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na"	22.989218
"1611506"	255.024018	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na"	22.989218
"321553"	244.033047	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+Na"	23.996494
"718346"	360.050447	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+Na"	23.996494
"1474355"	128.015647	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+Na"	23.996494
"1063228"	85.6795233333333	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2H+Na"	25.00377
"1272317"	265.068286	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+CH3OH+H"	33.033486
"390410"	503.032758	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+K"	38.963158
"752133"	735.067558	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+K"	38.963158
"1553091"	270.997958	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K"	38.963158
"310998"	252.020017	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+K"	39.970434
"705973"	368.037417	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+K"	39.970434
"1459060"	136.002617	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+K"	39.970434
"248388"	506.103426	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+H"	42.033826
"1218913"	274.068626	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+H"	42.033826
"1197695"	137.537951	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+2H"	43.041102
"192387"	509.04076	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na-H"	44.97116
"628787"	741.07556	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na-H"	44.97116
"1133266"	277.00596	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na-H"	44.97116
"175097"	255.024018	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na"	45.978436
"616483"	371.041418	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na"	45.978436
"1116462"	139.006618	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na"	45.978436
"1402054"	93.0068373333333	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+2Na"	46.985712
"1440368"	279.047546	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+HCOOH"	47.012746
"233346"	260.05704	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H2O+2H"	56.04448
"1523239"	293.09959	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+H"	61.06479
"422560"	263.010988	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na+K"	61.952376
"782462"	379.028388	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na+K"	61.952376
"1677702"	146.993588	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+K"	61.952376
"265679"	528.085368	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+Na"	64.015768
"1239846"	296.050568	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+Na"	64.015768
"1726545"	296.074093	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+HCOOH"	64.039293
"1193234"	100.334151333333	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+3Na"	68.967654
"1663979"	301.029488	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+HCOOH"	68.994688
"171204"	540.98864	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K-H"	76.91904
"611853"	773.02344	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K-H"	76.91904
"1098804"	308.95384	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2K-H"	76.91904
"156920"	270.997958	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K"	77.926316
"596512"	387.015358	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K"	77.926316
"1083902"	154.980558	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2K"	77.926316
"1113744"	310.968392	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2K+H"	78.933592
"1340289"	311.056007	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+DMSO+H"	79.021207
"1021093"	315.095176	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+H"	83.060376
"1534600"	316.088808	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+Na+H"	84.054008
"996679"	158.051226	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+2H"	84.067652
"1595554"	317.003428	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K+HCOOH"	84.968628
"1420120"	347.034938	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+H+CF3COOH"	115.000138
"1160250"	178.564501	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+3ACN+2H"	125.094202
"1705425"	364.061485	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+CF3COOH"	132.026685
"1647638"	369.01688	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+CF3COOH"	136.98208
"1581100"	384.99082	"C03509"	"L-Arabinitol 5-phosphate"	"C5H13O8P"	"232.0348"	"M+K+CF3COOH"	152.95602
"802719"	180.0569	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M"	0
"974625"	161.03851	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-H2O-H"	-19.01839
"62926"	119.030657333333	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M-3H"	-3.021828
"504052"	179.049624	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M-3H"	-3.021828
"886231"	59.0116906666667	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-3H"	-3.021828
"12830"	179.049624	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M-2H"	-2.014552
"452756"	269.078074	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M-2H"	-2.014552
"828737"	89.021174	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-2H"	-2.014552
"92738"	359.106524	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M-H"	-1.007276
"531202"	539.163424	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M-H"	-1.007276
"909615"	179.049624	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-H"	-1.007276
"59375"	376.133071	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M-2H+NH4"	16.019271
"500272"	556.189971	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M-2H+NH4"	16.019271
"877827"	196.076171	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-2H+NH4"	16.019271
"31800"	381.088466	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M-2H+Na"	20.974666
"481651"	561.145366	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M-2H+Na"	20.974666
"856535"	201.031566	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-2H+Na"	20.974666
"1626073"	201.031566	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Na-2H"	20.974666
"102599"	197.037963	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M-H+Cl"	33.962126
"549581"	287.066413	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M-H+Cl"	33.962126
"942002"	107.009513	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-H+Cl"	33.962126
"282707"	395.083202	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+Cl"	34.969402
"674801"	575.140102	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+Cl"	34.969402
"1282342"	215.026302	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Cl"	34.969402
"25991"	397.062406	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M-2H+K"	36.948606
"463364"	577.119306	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M-2H+K"	36.948606
"838979"	217.005506	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-2H+K"	36.948606
"1560279"	217.005506	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+K-2H"	36.948606
"952537"	225.055094	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-H+HCOOH"	44.998194
"371846"	405.112001	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+HCOOH-H"	44.998201
"352447"	419.127651	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+Hac-H"	59.013851
"1501281"	239.070751	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Hac-H"	59.013851
"967731"	247.037051	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-H+NaCOOH"	66.980151
"119920"	215.026302	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+2Cl"	69.938804
"563860"	305.054752	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+2Cl"	69.938804
"1032293"	124.997852	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2Cl"	69.938804
"1252598"	258.975785	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Br"	78.918885
"1317239"	261.031772	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Cl+HCOOH"	80.974872
"1333275"	283.013729	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Cl+NaCOOH"	102.956829
"926164"	293.042486	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M-H+CF3COOH"	112.985586
"1303235"	329.019164	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Cl+CF3COOH"	148.962264
"1377018"	145.044224	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H-2H2O"	-35.012676
"1393419"	163.0542	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H-H2O"	-17.0027
"297979"	361.121076	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+H"	1.007276
"690762"	541.177976	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+H"	1.007276
"1364798"	181.064176	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H"	1.007276
"135499"	181.064176	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+2H"	2.014552
"577979"	271.092626	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+2H"	2.014552
"1046417"	91.035726	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2H"	2.014552
"214318"	121.045209333333	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+3H"	3.021828
"653875"	181.064176	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+3H"	3.021828
"1168719"	61.0262426666667	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+3H"	3.021828
"427618"	378.147623	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+NH4"	18.033823
"785974"	558.204523	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+NH4"	18.033823
"1686036"	198.090723	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+NH4"	18.033823
"337597"	189.5774495	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+H+NH4"	19.041099
"728925"	279.6058995	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+H+NH4"	19.041099
"1480558"	99.5489995	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H+NH4"	19.041099
"400335"	383.103018	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+Na"	22.989218
"759142"	563.159918	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+Na"	22.989218
"1611616"	203.046118	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Na"	22.989218
"321663"	192.055147	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+H+Na"	23.996494
"718456"	282.083597	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+H+Na"	23.996494
"1473372"	102.026697	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H+Na"	23.996494
"1064431"	68.3535566666667	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2H+Na"	25.00377
"1271820"	213.090386	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+CH3OH+H"	33.033486
"391247"	399.076958	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+K"	38.963158
"752242"	579.133858	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+K"	38.963158
"1553201"	219.020058	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+K"	38.963158
"311472"	200.042117	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+H+K"	39.970434
"706083"	290.070567	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+H+K"	39.970434
"1459534"	110.013667	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H+K"	39.970434
"245219"	402.147626	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+ACN+H"	42.033826
"1223032"	222.090726	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+ACN+H"	42.033826
"1197076"	111.549001	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+ACN+2H"	43.041102
"191404"	405.08496	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+2Na-H"	44.97116
"628616"	585.14186	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+2Na-H"	44.97116
"1131591"	225.02806	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2Na-H"	44.97116
"177760"	203.046118	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+2Na"	45.978436
"616592"	293.074568	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+2Na"	45.978436
"1117180"	113.017668	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2Na"	45.978436
"1402163"	75.6808706666667	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H+2Na"	46.985712
"1439385"	227.069646	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H+HCOOH"	47.012746
"231633"	208.07914	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+3H2O+2H"	56.04448
"1521892"	241.12169	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+IsoProp+H"	61.06479
"421578"	211.033088	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+Na+K"	61.952376
"783666"	301.061538	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+Na+K"	61.952376
"1676720"	121.004638	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Na+K"	61.952376
"265912"	424.129568	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+ACN+Na"	64.015768
"1238135"	244.072668	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+ACN+Na"	64.015768
"1724835"	244.096193	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+NH4+HCOOH"	64.039293
"1193590"	83.0081846666667	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+3Na"	68.967654
"1664454"	249.051588	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Na+HCOOH"	68.994688
"171313"	437.03284	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+2K-H"	76.91904
"611843"	617.08974	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+2K-H"	76.91904
"1098427"	256.97594	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2K-H"	76.91904
"156701"	219.020058	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"2M+2K"	77.926316
"595771"	309.048508	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"3M+2K"	77.926316
"1081741"	128.991608	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2K"	77.926316
"1114220"	258.990492	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2K+H"	78.933592
"1349146"	259.078107	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+DMSO+H"	79.021207
"1020962"	263.117276	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2ACN+H"	83.060376
"1539326"	264.110908	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+IsoProp+Na+H"	84.054008
"995693"	132.062276	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+2ACN+2H"	84.067652
"1593477"	265.025528	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+K+HCOOH"	84.968628
"1419137"	295.057038	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+H+CF3COOH"	115.000138
"1157810"	152.575551	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+3ACN+2H"	125.094202
"1705535"	312.083585	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+NH4+CF3COOH"	132.026685
"1645559"	317.03898	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+Na+CF3COOH"	136.98208
"1581210"	333.01292	"C03510"	"L-Methionine sulfoximine;(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid"	"C5H12N2O3S"	"180.0569"	"M+K+CF3COOH"	152.95602
"811579"	470.1941	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M"	0
"988394"	451.17571	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-H2O-H"	-19.01839
"75545"	312.455457333333	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M-3H"	-3.021828
"509642"	469.186824	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M-3H"	-3.021828
"881979"	155.724090666667	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-3H"	-3.021828
"9301"	469.186824	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M-2H"	-2.014552
"451048"	704.283874	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M-2H"	-2.014552
"827755"	234.089774	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-2H"	-2.014552
"86656"	939.380924	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M-H"	-1.007276
"521844"	1409.575024	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M-H"	-1.007276
"904748"	469.186824	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-H"	-1.007276
"47576"	956.407471	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M-2H+NH4"	16.019271
"495768"	1426.601571	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M-2H+NH4"	16.019271
"872480"	486.213371	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-2H+NH4"	16.019271
"38194"	961.362866	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M-2H+Na"	20.974666
"485783"	1431.556966	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M-2H+Na"	20.974666
"862610"	491.168766	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-2H+Na"	20.974666
"1631659"	491.168766	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Na-2H"	20.974666
"106726"	487.175163	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M-H+Cl"	33.962126
"546651"	722.272213	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M-H+Cl"	33.962126
"940167"	252.078113	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-H+Cl"	33.962126
"278721"	975.357602	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+Cl"	34.969402
"670412"	1445.551702	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+Cl"	34.969402
"1281357"	505.163502	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Cl"	34.969402
"25737"	977.336806	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M-2H+K"	36.948606
"464568"	1447.530906	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M-2H+K"	36.948606
"839091"	507.142706	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-2H+K"	36.948606
"1564764"	507.142706	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+K-2H"	36.948606
"953742"	515.192294	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-H+HCOOH"	44.998194
"373051"	985.386401	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+HCOOH-H"	44.998201
"353657"	999.402051	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+Hac-H"	59.013851
"1501399"	529.207951	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Hac-H"	59.013851
"967849"	537.174251	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-H+NaCOOH"	66.980151
"120036"	505.163502	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+2Cl"	69.938804
"562513"	740.260552	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+2Cl"	69.938804
"1034230"	270.066452	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2Cl"	69.938804
"1254538"	549.112985	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Br"	78.918885
"1315894"	551.168972	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Cl+HCOOH"	80.974872
"1332296"	573.150929	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Cl+NaCOOH"	102.956829
"924087"	583.179686	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M-H+CF3COOH"	112.985586
"1302981"	619.156364	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Cl+CF3COOH"	148.962264
"1381505"	435.181424	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H-2H2O"	-35.012676
"1397180"	453.1914	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H-H2O"	-17.0027
"293218"	941.395476	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+H"	1.007276
"683452"	1411.589576	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+H"	1.007276
"1366004"	471.201376	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H"	1.007276
"139258"	471.201376	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+2H"	2.014552
"575540"	706.298426	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+2H"	2.014552
"1047620"	236.104326	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2H"	2.014552
"215522"	314.470009333333	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+3H"	3.021828
"655080"	471.201376	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+3H"	3.021828
"1172109"	157.738642666667	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+3H"	3.021828
"427728"	958.422023	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+NH4"	18.033823
"787633"	1428.616123	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+NH4"	18.033823
"1692710"	488.227923	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+NH4"	18.033823
"336614"	479.7146495	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+H+NH4"	19.041099
"736332"	714.8116995	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+H+NH4"	19.041099
"1489423"	244.6175995	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H+NH4"	19.041099
"406646"	963.377418	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+Na"	22.989218
"764728"	1433.571518	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+Na"	22.989218
"1615743"	493.183318	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Na"	22.989218
"326875"	482.192347	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+H+Na"	23.996494
"716383"	717.289397	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+H+Na"	23.996494
"1472391"	247.095297	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H+Na"	23.996494
"1066609"	165.065956666667	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2H+Na"	25.00377
"1268407"	503.227586	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+CH3OH+H"	33.033486
"388076"	979.351358	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+K"	38.963158
"751260"	1449.545458	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+K"	38.963158
"1551125"	509.157258	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+K"	38.963158
"312675"	490.179317	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+H+K"	39.970434
"699629"	725.276367	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+H+K"	39.970434
"1456728"	255.082267	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H+K"	39.970434
"241325"	982.422026	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+ACN+H"	42.033826
"1214033"	512.227926	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+ACN+H"	42.033826
"1197188"	256.617601	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+ACN+2H"	43.041102
"195526"	985.35936	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+2Na-H"	44.97116
"629086"	1455.55346	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+2Na-H"	44.97116
"1138959"	515.16526	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2Na-H"	44.97116
"181156"	493.183318	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+2Na"	45.978436
"624364"	728.280368	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+2Na"	45.978436
"1126412"	258.086268	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2Na"	45.978436
"1413352"	172.393270666667	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H+2Na"	46.985712
"1444612"	517.206846	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H+HCOOH"	47.012746
"233818"	498.21634	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+3H2O+2H"	56.04448
"1522976"	531.25889	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+IsoProp+H"	61.06479
"421688"	501.170288	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+Na+K"	61.952376
"775394"	736.267338	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+Na+K"	61.952376
"1676828"	266.073238	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Na+K"	61.952376
"260066"	1004.403968	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+ACN+Na"	64.015768
"1235329"	534.209868	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+ACN+Na"	64.015768
"1725308"	534.233393	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+NH4+HCOOH"	64.039293
"1188474"	179.720584666667	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+3Na"	68.967654
"1661283"	539.188788	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Na+HCOOH"	68.994688
"163042"	1017.30724	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+2K-H"	76.91904
"604789"	1487.50134	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+2K-H"	76.91904
"1094403"	547.11314	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2K-H"	76.91904
"153405"	509.157258	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"2M+2K"	77.926316
"590781"	744.254308	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"3M+2K"	77.926316
"1081854"	274.060208	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2K"	77.926316
"1110689"	549.127692	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2K+H"	78.933592
"1344888"	549.215307	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+DMSO+H"	79.021207
"1013417"	553.254476	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2ACN+H"	83.060376
"1530452"	554.248108	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+IsoProp+Na+H"	84.054008
"992525"	277.130876	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+2ACN+2H"	84.067652
"1595778"	555.162728	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+K+HCOOH"	84.968628
"1417062"	585.194238	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+H+CF3COOH"	115.000138
"1151723"	297.644151	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+3ACN+2H"	125.094202
"1701274"	602.220785	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+NH4+CF3COOH"	132.026685
"1638017"	607.17618	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+Na+CF3COOH"	136.98208
"1573667"	623.15012	"C03514"	"Limonin;Evodin"	"C26H30O8"	"470.1941"	"M+K+CF3COOH"	152.95602
"811689"	462.0798	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M"	0
"978661"	443.06141	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-H2O-H"	-19.01839
"76748"	307.045924	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M-3H"	-3.021828
"511938"	461.072524	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M-3H"	-3.021828
"894842"	153.019324	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-3H"	-3.021828
"14513"	461.072524	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M-2H"	-2.014552
"455042"	692.112424	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M-2H"	-2.014552
"831144"	230.032624	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-2H"	-2.014552
"92229"	923.152324	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M-H"	-1.007276
"525233"	1385.232124	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M-H"	-1.007276
"906315"	461.072524	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-H"	-1.007276
"47807"	940.178871	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M-2H+NH4"	16.019271
"495878"	1402.258671	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M-2H+NH4"	16.019271
"874776"	478.099071	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-2H+NH4"	16.019271
"40490"	945.134266	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M-2H+Na"	20.974666
"486743"	1407.214066	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M-2H+Na"	20.974666
"863776"	483.054466	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-2H+Na"	20.974666
"1632495"	483.054466	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Na-2H"	20.974666
"107566"	479.060863	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M-H+Cl"	33.962126
"546032"	710.100763	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M-H+Cl"	33.962126
"939182"	248.020963	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-H+Cl"	33.962126
"277740"	959.129002	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+Cl"	34.969402
"667973"	1421.208802	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+Cl"	34.969402
"1281106"	497.049202	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Cl"	34.969402
"21838"	961.108206	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M-2H+K"	36.948606
"462492"	1423.188006	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M-2H+K"	36.948606
"840293"	499.028406	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-2H+K"	36.948606
"1563784"	499.028406	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+K-2H"	36.948606
"949479"	507.077994	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-H+HCOOH"	44.998194
"369882"	969.157801	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+HCOOH-H"	44.998201
"354860"	983.173451	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+Hac-H"	59.013851
"1503332"	521.093651	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Hac-H"	59.013851
"967959"	529.059951	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-H+NaCOOH"	66.980151
"122698"	497.049202	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+2Cl"	69.938804
"560435"	728.089102	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+2Cl"	69.938804
"1029602"	266.009302	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2Cl"	69.938804
"1251370"	540.998685	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Br"	78.918885
"1314911"	543.054672	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Cl+HCOOH"	80.974872
"1334232"	565.036629	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Cl+NaCOOH"	102.956829
"926383"	575.065386	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M-H+CF3COOH"	112.985586
"1304152"	611.042064	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Cl+CF3COOH"	148.962264
"1382670"	427.067124	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H-2H2O"	-35.012676
"1398434"	445.0771	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H-H2O"	-17.0027
"293328"	925.166876	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+H"	1.007276
"685748"	1387.246676	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+H"	1.007276
"1362833"	463.087076	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H"	1.007276
"138274"	463.087076	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+2H"	2.014552
"575649"	694.126976	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+2H"	2.014552
"1048823"	232.047176	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2H"	2.014552
"213444"	309.060476	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+3H"	3.021828
"654096"	463.087076	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+3H"	3.021828
"1168940"	155.033876	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+3H"	3.021828
"425042"	942.193423	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+NH4"	18.033823
"786038"	1404.273223	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+NH4"	18.033823
"1684074"	480.113623	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+NH4"	18.033823
"338914"	471.6003495	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+H+NH4"	19.041099
"736806"	702.6402495	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+H+NH4"	19.041099
"1489533"	240.5604495	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H+NH4"	19.041099
"408092"	947.148818	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+Na"	22.989218
"765931"	1409.228618	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+Na"	22.989218
"1616217"	485.069018	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Na"	22.989218
"328201"	474.078047	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+H+Na"	23.996494
"717583"	705.117947	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+H+Na"	23.996494
"1473593"	243.038147	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H+Na"	23.996494
"1063559"	162.36119	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2H+Na"	25.00377
"1266330"	495.113286	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+CH3OH+H"	33.033486
"389280"	963.122758	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+K"	38.963158
"752463"	1425.202558	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+K"	38.963158
"1551235"	501.042958	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+K"	38.963158
"313031"	482.065017	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+H+K"	39.970434
"700832"	713.104917	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+H+K"	39.970434
"1454651"	251.025117	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H+K"	39.970434
"239248"	966.193426	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+ACN+H"	42.033826
"1215236"	504.113626	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+ACN+H"	42.033826
"1197298"	252.560451	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+ACN+2H"	43.041102
"193450"	969.13076	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+2Na-H"	44.97116
"629036"	1431.21056	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+2Na-H"	44.97116
"1139433"	507.05096	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2Na-H"	44.97116
"181630"	485.069018	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+2Na"	45.978436
"623380"	716.108918	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+2Na"	45.978436
"1127981"	254.029118	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2Na"	45.978436
"1413907"	169.688504	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H+2Na"	46.985712
"1444360"	509.092546	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H+HCOOH"	47.012746
"233322"	490.10204	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+3H2O+2H"	56.04448
"1523576"	523.14459	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+IsoProp+H"	61.06479
"421799"	493.055988	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+Na+K"	61.952376
"785229"	724.095888	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+Na+K"	61.952376
"1679978"	262.016088	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Na+K"	61.952376
"264550"	988.175368	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+ACN+Na"	64.015768
"1238720"	526.095568	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+ACN+Na"	64.015768
"1726876"	526.119093	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+NH4+HCOOH"	64.039293
"1191500"	177.015818	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+3Na"	68.967654
"1663580"	531.074488	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Na+HCOOH"	68.994688
"166068"	1001.07864	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+2K-H"	76.91904
"609640"	1463.15844	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+2K-H"	76.91904
"1095608"	538.99884	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2K-H"	76.91904
"149144"	501.042958	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"2M+2K"	77.926316
"593078"	732.082858	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"3M+2K"	77.926316
"1081599"	270.003058	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2K"	77.926316
"1112985"	541.013392	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2K+H"	78.933592
"1346091"	541.101007	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+DMSO+H"	79.021207
"1015714"	545.140176	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2ACN+H"	83.060376
"1530564"	546.133808	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+IsoProp+Na+H"	84.054008
"995917"	273.073726	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+2ACN+2H"	84.067652
"1596981"	547.048428	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+K+HCOOH"	84.968628
"1418266"	577.079938	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+H+CF3COOH"	115.000138
"1154020"	293.587001	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+3ACN+2H"	125.094202
"1702477"	594.106485	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+NH4+CF3COOH"	132.026685
"1637034"	599.06188	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+Na+CF3COOH"	136.98208
"1572684"	615.03582	"C03515"	"Luteolin 7-O-glucuronide;Luteolin 7-O-beta-D-glucuronide"	"C21H18O12"	"462.0798"	"M+K+CF3COOH"	152.95602
"811799"	584.2274	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M"	0
"987519"	565.20901	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-H2O-H"	-19.01839
"74669"	388.477657333333	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M-3H"	-3.021828
"512048"	583.220124	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M-3H"	-3.021828
"892037"	193.735190666667	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-3H"	-3.021828
"12797"	583.220124	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M-2H"	-2.014552
"453450"	875.333824	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M-2H"	-2.014552
"830896"	291.106424	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-2H"	-2.014552
"93313"	1167.447524	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M-H"	-1.007276
"525343"	1751.674924	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M-H"	-1.007276
"903145"	583.220124	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-H"	-1.007276
"53144"	1184.474071	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M-2H+NH4"	16.019271
"492708"	1768.701471	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M-2H+NH4"	16.019271
"868322"	600.246671	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-2H+NH4"	16.019271
"38413"	1189.429466	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M-2H+Na"	20.974666
"479066"	1773.656866	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M-2H+Na"	20.974666
"860880"	605.202066	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-2H+Na"	20.974666
"1633577"	605.202066	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Na-2H"	20.974666
"107312"	601.208463	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M-H+Cl"	33.962126
"544682"	893.322163	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M-H+Cl"	33.962126
"934915"	309.094763	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-H+Cl"	33.962126
"277485"	1203.424202	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+Cl"	34.969402
"669906"	1787.651602	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+Cl"	34.969402
"1283039"	619.196802	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Cl"	34.969402
"20855"	1205.403406	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M-2H+K"	36.948606
"463695"	1789.630806	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M-2H+K"	36.948606
"841496"	621.176006	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-2H+K"	36.948606
"1563894"	621.176006	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+K-2H"	36.948606
"952868"	629.225594	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-H+HCOOH"	44.998194
"371085"	1213.453001	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+HCOOH-H"	44.998201
"354606"	1227.468651	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+Hac-H"	59.013851
"1500161"	643.241251	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Hac-H"	59.013851
"965881"	651.207551	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-H+NaCOOH"	66.980151
"118066"	619.196802	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+2Cl"	69.938804
"560543"	911.310502	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+2Cl"	69.938804
"1029710"	327.083102	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2Cl"	69.938804
"1249291"	663.146285	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Br"	78.918885
"1310646"	665.202272	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Cl+HCOOH"	80.974872
"1327049"	687.184229	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Cl+NaCOOH"	102.956829
"924304"	697.212986	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M-H+CF3COOH"	112.985586
"1300282"	733.189664	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Cl+CF3COOH"	148.962264
"1376258"	549.214724	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H-2H2O"	-35.012676
"1396670"	567.2247	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H-H2O"	-17.0027
"293438"	1169.462076	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+H"	1.007276
"687681"	1753.689476	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+H"	1.007276
"1362214"	585.234676	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H"	1.007276
"137656"	585.234676	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+2H"	2.014552
"576853"	877.348376	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+2H"	2.014552
"1045653"	293.120976	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2H"	2.014552
"214646"	390.492209333333	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+3H"	3.021828
"654935"	585.234676	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+3H"	3.021828
"1165770"	195.749742666667	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+3H"	3.021828
"425761"	1186.488623	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+NH4"	18.033823
"787853"	1770.716023	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+NH4"	18.033823
"1684184"	602.261223	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+NH4"	18.033823
"339024"	593.7479495	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+H+NH4"	19.041099
"735823"	885.8616495	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+H+NH4"	19.041099
"1490736"	301.6342495	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H+NH4"	19.041099
"408490"	1191.444018	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+Na"	22.989218
"768228"	1775.671418	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+Na"	22.989218
"1616327"	607.216618	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Na"	22.989218
"328189"	596.225647	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+H+Na"	23.996494
"720973"	888.339347	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+H+Na"	23.996494
"1473703"	304.111947	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H+Na"	23.996494
"1060387"	203.077056666667	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2H+Na"	25.00377
"1265345"	617.260886	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+CH3OH+H"	33.033486
"388296"	1207.417958	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+K"	38.963158
"750386"	1791.645358	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+K"	38.963158
"1550251"	623.190558	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+K"	38.963158
"313624"	604.212617	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+H+K"	39.970434
"698754"	896.326317	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+H+K"	39.970434
"1453668"	312.098917	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H+K"	39.970434
"236315"	1210.488626	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+ACN+H"	42.033826
"1210476"	626.261226	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+ACN+H"	42.033826
"1195220"	313.634251	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+ACN+2H"	43.041102
"193925"	1213.42596	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+2Na-H"	44.97116
"629714"	1797.65336	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+2Na-H"	44.97116
"1139179"	629.19856	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2Na-H"	44.97116
"181376"	607.216618	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+2Na"	45.978436
"616194"	899.330318	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+2Na"	45.978436
"1130646"	315.102918	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2Na"	45.978436
"1413897"	210.404370666667	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H+2Na"	46.985712
"1444348"	631.240146	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H+HCOOH"	47.012746
"233311"	612.24964	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+3H2O+2H"	56.04448
"1522711"	645.29219	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+IsoProp+H"	61.06479
"422397"	615.203588	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+Na+K"	61.952376
"785259"	907.317288	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+Na+K"	61.952376
"1678142"	323.089888	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Na+K"	61.952376
"264662"	1232.470568	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+ACN+Na"	64.015768
"1238101"	648.243168	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+ACN+Na"	64.015768
"1724071"	648.266693	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+NH4+HCOOH"	64.039293
"1189425"	217.731684666667	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+3Na"	68.967654
"1663570"	653.222088	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Na+HCOOH"	68.994688
"165085"	1245.37384	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+2K-H"	76.91904
"609386"	1829.60124	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+2K-H"	76.91904
"1096447"	661.14644	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2K-H"	76.91904
"149254"	623.190558	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"2M+2K"	77.926316
"593188"	915.304258	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"3M+2K"	77.926316
"1079887"	331.076858	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2K"	77.926316
"1104350"	663.160992	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2K+H"	78.933592
"1339641"	663.248607	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+DMSO+H"	79.021207
"1007318"	667.287776	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2ACN+H"	83.060376
"1524831"	668.281408	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+IsoProp+Na+H"	84.054008
"990915"	334.147526	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+2ACN+2H"	84.067652
"1588339"	669.196028	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+K+HCOOH"	84.968628
"1416188"	699.227538	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+H+CF3COOH"	115.000138
"1148663"	354.660801	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+3ACN+2H"	125.094202
"1697362"	716.254085	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+NH4+CF3COOH"	132.026685
"1638237"	721.20948	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+Na+CF3COOH"	136.98208
"1572794"	737.18342	"C03516"	"Magnesium protoporphyrin;Magnesium protoporphyrin IX;Mg-protoporphyrin IX"	"C34H32MgN4O4"	"584.2274"	"M+K+CF3COOH"	152.95602
"816951"	207.0895	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M"	0
"985450"	188.07111	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H2O-H"	-19.01839
"72600"	137.052390666667	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-3H"	-3.021828
"508881"	206.082224	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-3H"	-3.021828
"889963"	68.0225573333333	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-3H"	-3.021828
"10726"	206.082224	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H"	-2.014552
"453202"	309.626974	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H"	-2.014552
"821526"	102.537474	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H"	-2.014552
"86987"	413.171724	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-H"	-1.007276
"519376"	620.261224	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-H"	-1.007276
"896328"	206.082224	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H"	-1.007276
"47907"	430.198271	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H+NH4"	16.019271
"495006"	637.287771	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H+NH4"	16.019271
"875364"	223.108771	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H+NH4"	16.019271
"46547"	435.153666	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H+Na"	20.974666
"486474"	642.243166	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H+Na"	20.974666
"863874"	228.064166	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H+Na"	20.974666
"1632349"	228.064166	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na-2H"	20.974666
"108151"	224.070563	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-H+Cl"	33.962126
"548440"	327.615313	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-H+Cl"	33.962126
"942280"	120.525813	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+Cl"	33.962126
"280511"	449.148402	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Cl"	34.969402
"671838"	656.237902	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+Cl"	34.969402
"1285701"	242.058902	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl"	34.969402
"27527"	451.127606	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H+K"	36.948606
"467084"	658.217106	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H+K"	36.948606
"842700"	244.038106	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H+K"	36.948606
"1561815"	244.038106	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K-2H"	36.948606
"948608"	252.087694	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+HCOOH"	44.998194
"371929"	459.177201	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+HCOOH-H"	44.998201
"353989"	473.192851	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Hac-H"	59.013851
"1497354"	266.103351	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Hac-H"	59.013851
"968176"	274.069651	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+NaCOOH"	66.980151
"118179"	242.058902	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2Cl"	69.938804
"561022"	345.603652	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2Cl"	69.938804
"1026542"	138.514152	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2Cl"	69.938804
"1247214"	286.008385	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Br"	78.918885
"1307475"	288.064372	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl+HCOOH"	80.974872
"1330438"	310.046329	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl+NaCOOH"	102.956829
"922591"	320.075086	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+CF3COOH"	112.985586
"1296018"	356.051764	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl+CF3COOH"	148.962264
"1378556"	172.076824	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H-2H2O"	-35.012676
"1392771"	190.0868	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H-H2O"	-17.0027
"292460"	415.186276	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H"	1.007276
"685974"	622.275776	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H"	1.007276
"1363054"	208.096776	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H"	1.007276
"139587"	208.096776	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2H"	2.014552
"577691"	311.641526	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2H"	2.014552
"1046856"	104.552026	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2H"	2.014552
"210383"	139.066942666667	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+3H"	3.021828
"646662"	208.096776	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+3H"	3.021828
"1162919"	70.0371093333333	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+3H"	3.021828
"428063"	432.212823	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+NH4"	18.033823
"785714"	639.302323	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+NH4"	18.033823
"1695605"	225.123323	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+NH4"	18.033823
"344612"	216.6100495	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H+NH4"	19.041099
"736668"	320.1547995	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H+NH4"	19.041099
"1489034"	113.0652995	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+NH4"	19.041099
"404067"	437.168218	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Na"	22.989218
"766155"	644.257718	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+Na"	22.989218
"1609882"	230.078718	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na"	22.989218
"322105"	219.087747	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H+Na"	23.996494
"712339"	322.632497	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H+Na"	23.996494
"1469440"	115.542997	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+Na"	23.996494
"1058311"	77.3644233333333	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2H+Na"	25.00377
"1263269"	240.122986	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+CH3OH+H"	33.033486
"381843"	453.142158	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+K"	38.963158
"743932"	660.231658	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+K"	38.963158
"1545987"	246.052658	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K"	38.963158
"300611"	227.074717	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H+K"	39.970434
"694493"	330.619467	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H+K"	39.970434
"1447220"	123.529967	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+K"	39.970434
"236017"	456.212826	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+ACN+H"	42.033826
"1210960"	249.123326	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+ACN+H"	42.033826
"1195693"	125.065301	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+ACN+2H"	43.041102
"192943"	459.15016	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2Na-H"	44.97116
"637972"	666.23966	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2Na-H"	44.97116
"1139289"	252.06066	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2Na-H"	44.97116
"187340"	230.078718	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2Na"	45.978436
"627993"	333.623468	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2Na"	45.978436
"1130770"	126.533968	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2Na"	45.978436
"1413685"	84.6917373333333	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+2Na"	46.985712
"1445060"	254.102246	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+HCOOH"	47.012746
"230623"	235.11174	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+3H2O+2H"	56.04448
"1519051"	268.15429	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+IsoProp+H"	61.06479
"420924"	238.065688	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Na+K"	61.952376
"785207"	341.610438	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+Na+K"	61.952376
"1680810"	134.520938	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na+K"	61.952376
"266838"	478.194768	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+ACN+Na"	64.015768
"1239302"	271.105268	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+ACN+Na"	64.015768
"1726368"	271.128793	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+NH4+HCOOH"	64.039293
"1191357"	92.0190513333333	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+3Na"	68.967654
"1663798"	276.084188	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na+HCOOH"	68.994688
"168472"	491.09804	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2K-H"	76.91904
"609125"	698.18754	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2K-H"	76.91904
"1091452"	284.00854	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2K-H"	76.91904
"151548"	246.052658	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2K"	77.926316
"593297"	349.597408	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2K"	77.926316
"1076717"	142.507908	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2K"	77.926316
"1104461"	286.023092	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2K+H"	78.933592
"1336949"	286.110707	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+DMSO+H"	79.021207
"1006814"	290.149876	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2ACN+H"	83.060376
"1525670"	291.143508	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+IsoProp+Na+H"	84.054008
"990662"	145.578576	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2ACN+2H"	84.067652
"1588084"	292.058128	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K+HCOOH"	84.968628
"1414955"	322.089638	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+CF3COOH"	115.000138
"1148773"	166.091851	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+3ACN+2H"	125.094202
"1702701"	339.116185	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+NH4+CF3COOH"	132.026685
"1639443"	344.07158	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na+CF3COOH"	136.98208
"1581654"	360.04552	"C03519"	"N-Acetyl-L-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K+CF3COOH"	152.95602
"815912"	237.0849	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M"	0
"985559"	218.06651	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-H2O-H"	-19.01839
"76963"	157.049324	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M-3H"	-3.021828
"514458"	236.077624	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M-3H"	-3.021828
"888980"	78.021024	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-3H"	-3.021828
"10835"	236.077624	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M-2H"	-2.014552
"451488"	354.620074	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M-2H"	-2.014552
"822727"	117.535174	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-2H"	-2.014552
"91103"	473.162524	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M-H"	-1.007276
"525562"	710.247424	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M-H"	-1.007276
"897896"	236.077624	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-H"	-1.007276
"47776"	490.189071	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M-2H+NH4"	16.019271
"495118"	727.273971	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M-2H+NH4"	16.019271
"878390"	253.104171	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-2H+NH4"	16.019271
"45562"	495.144466	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M-2H+Na"	20.974666
"487053"	732.229366	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M-2H+Na"	20.974666
"863174"	258.059566	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-2H+Na"	20.974666
"1633642"	258.059566	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Na-2H"	20.974666
"109360"	254.065963	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M-H+Cl"	33.962126
"549041"	372.608413	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M-H+Cl"	33.962126
"942597"	135.523513	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-H+Cl"	33.962126
"281960"	509.139202	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+Cl"	34.969402
"675545"	746.224102	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+Cl"	34.969402
"1285445"	272.054302	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Cl"	34.969402
"28001"	511.118406	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M-2H+K"	36.948606
"469385"	748.203306	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M-2H+K"	36.948606
"842811"	274.033506	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-2H+K"	36.948606
"1563021"	274.033506	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+K-2H"	36.948606
"952000"	282.083094	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-H+HCOOH"	44.998194
"370216"	519.168001	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+HCOOH-H"	44.998201
"356286"	533.183651	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+Hac-H"	59.013851
"1499652"	296.098751	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Hac-H"	59.013851
"965006"	304.065051	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-H+NaCOOH"	66.980151
"113915"	272.054302	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+2Cl"	69.938804
"554571"	390.596752	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+2Cl"	69.938804
"1026652"	153.511852	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2Cl"	69.938804
"1245137"	316.003785	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Br"	78.918885
"1307586"	318.059772	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Cl+HCOOH"	80.974872
"1327267"	340.041729	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Cl+NaCOOH"	102.956829
"919421"	350.070486	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M-H+CF3COOH"	112.985586
"1295035"	386.047164	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Cl+CF3COOH"	148.962264
"1379758"	202.072224	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H-2H2O"	-35.012676
"1391788"	220.0822	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H-H2O"	-17.0027
"288196"	475.177076	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+H"	1.007276
"682804"	712.261976	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+H"	1.007276
"1356967"	238.092176	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H"	1.007276
"128761"	238.092176	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+2H"	2.014552
"574886"	356.634626	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+2H"	2.014552
"1046966"	119.549726	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2H"	2.014552
"210491"	159.063876	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+3H"	3.021828
"645678"	238.092176	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+3H"	3.021828
"1162911"	80.035576	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+3H"	3.021828
"425256"	492.203623	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+NH4"	18.033823
"785691"	729.288523	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+NH4"	18.033823
"1694256"	255.118723	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+NH4"	18.033823
"342533"	246.6054495	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+H+NH4"	19.041099
"733861"	365.1478995	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+H+NH4"	19.041099
"1490960"	128.0629995	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H+NH4"	19.041099
"404177"	497.159018	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+Na"	22.989218
"765172"	734.243918	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+Na"	22.989218
"1611085"	260.074118	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Na"	22.989218
"324401"	249.083147	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+H+Na"	23.996494
"714636"	367.625597	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+H+Na"	23.996494
"1469550"	130.540697	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H+Na"	23.996494
"1059515"	87.36289	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2H+Na"	25.00377
"1265567"	270.118386	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+CH3OH+H"	33.033486
"381955"	513.132958	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+K"	38.963158
"745135"	750.217858	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+K"	38.963158
"1545004"	276.048058	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+K"	38.963158
"301086"	257.070117	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+H+K"	39.970434
"695696"	375.612567	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+H+K"	39.970434
"1446966"	138.527667	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H+K"	39.970434
"241401"	516.203626	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+ACN+H"	42.033826
"1215203"	279.118726	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+ACN+H"	42.033826
"1201274"	140.063001	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+ACN+2H"	43.041102
"194146"	519.14096	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+2Na-H"	44.97116
"636989"	756.22586	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+2Na-H"	44.97116
"1137212"	282.05606	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2Na-H"	44.97116
"188262"	260.074118	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+2Na"	45.978436
"628483"	378.616568	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+2Na"	45.978436
"1131235"	141.531668	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2Na"	45.978436
"1414028"	94.690204	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H+2Na"	46.985712
"1443224"	284.097646	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H+HCOOH"	47.012746
"231826"	265.10714	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+3H2O+2H"	56.04448
"1523170"	298.14969	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+IsoProp+H"	61.06479
"424038"	268.061088	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+Na+K"	61.952376
"785478"	386.603538	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+Na+K"	61.952376
"1681285"	149.518638	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Na+K"	61.952376
"266953"	538.185568	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+ACN+Na"	64.015768
"1239412"	301.100668	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+ACN+Na"	64.015768
"1726114"	301.124193	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+NH4+HCOOH"	64.039293
"1193572"	102.017518	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+3Na"	68.967654
"1663908"	306.079588	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Na+HCOOH"	68.994688
"168582"	551.08884	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+2K-H"	76.91904
"608145"	788.17374	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+2K-H"	76.91904
"1094842"	314.00394	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2K-H"	76.91904
"148378"	276.048058	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"2M+2K"	77.926316
"592311"	394.590508	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"3M+2K"	77.926316
"1077920"	157.505608	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2K"	77.926316
"1107852"	316.018492	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2K+H"	78.933592
"1336456"	316.106107	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+DMSO+H"	79.021207
"1008392"	320.145276	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2ACN+H"	83.060376
"1528703"	321.138908	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+IsoProp+Na+H"	84.054008
"992964"	160.576276	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+2ACN+2H"	84.067652
"1589655"	322.053528	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+K+HCOOH"	84.968628
"1415435"	352.085038	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+H+CF3COOH"	115.000138
"1152165"	181.089551	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+3ACN+2H"	125.094202
"1702811"	369.111585	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+NH4+CF3COOH"	132.026685
"1640647"	374.06698	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+Na+CF3COOH"	136.98208
"1581764"	390.04092	"C03521"	"Glycolyl-D-mannosamine;N-Glycolyl-D-mannosamine"	"C8H15NO7"	"237.0849"	"M+K+CF3COOH"	152.95602
"812133"	151.0633	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M"	0
"988584"	132.04491	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"76100"	99.7015906666667	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"518010"	150.056024	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"890183"	49.3471573333333	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"9853"	150.056024	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"450506"	225.587674	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"820651"	74.524374	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"79672"	301.119324	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"519597"	452.182624	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"895856"	150.056024	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"49104"	318.145871	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"497781"	469.209171	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"877043"	167.082571	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"45309"	323.101266	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"486332"	474.164566	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"863041"	172.037966	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1630752"	172.037966	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"109103"	168.044363	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"547934"	243.576013	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"941692"	92.512713	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"280733"	337.096002	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"674248"	488.159302	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1283003"	186.032702	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"24465"	339.075206	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"468402"	490.138506	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"841826"	188.011906	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1559848"	188.011906	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"949923"	196.061494	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"367046"	347.124801	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"354209"	361.140451	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1498669"	210.077151	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"966209"	218.043451	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"115119"	186.032702	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"556867"	261.564352	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1030042"	110.501052	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1245247"	229.982185	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1308789"	232.038172	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1327377"	254.020129	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"916251"	264.048886	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1297333"	300.025564	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1370029"	116.050624	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1386432"	134.0606	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"288306"	303.133876	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"687288"	454.197176	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1360358"	152.070576	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"132152"	152.070576	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"573904"	227.602226	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1043797"	76.538926	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"211694"	101.716142666667	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"645788"	152.070576	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1162941"	51.3617093333333	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"425120"	320.160423	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"786027"	471.223723	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1695823"	169.097123	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"342644"	160.5838495	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"735063"	236.1154995	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1488884"	85.0521995	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"407321"	325.115818	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"765282"	476.179118	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1612288"	174.052518	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"324147"	163.061547	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"719120"	238.593197	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1471847"	87.529897	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1061812"	58.6890233333333	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1266770"	184.096786	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"385345"	341.089758	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"745245"	492.153058	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1544021"	190.026458	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"299252"	171.048517	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"693254"	246.580167	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1447804"	95.516867	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"237501"	344.160426	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1214220"	193.097126	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1202477"	97.052201	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"193163"	347.09776	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"636005"	498.16106	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1136229"	196.03446	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"188386"	174.052518	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"628487"	249.584168	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1130489"	98.520868	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1414117"	66.0163373333333	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1443334"	198.076046	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"234488"	179.08554	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1523281"	212.12809	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"423696"	182.039488	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"779954"	257.571138	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1679565"	106.507838	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"265719"	366.142368	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1240612"	215.079068	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1725131"	215.102593	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1190483"	73.3436513333333	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1662927"	220.057988	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"166506"	379.04564	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"608257"	530.10894	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1090579"	227.98234	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"147395"	190.026458	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"590234"	265.558108	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1075843"	114.494808	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1107962"	229.996892	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1337785"	230.084507	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1008502"	234.123676	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1527719"	235.117308	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"994167"	117.565476	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1591951"	236.031928	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1415424"	266.063438	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1153368"	138.078751	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1702921"	283.089985	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1641850"	288.04538	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1581874"	304.01932	"C03522"	"N-Methyl-4-aminobenzoate"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"816380"	491.2955	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M"	0
"988820"	472.27711	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-H2O-H"	-19.01839
"76208"	326.523057333333	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M-3H"	-3.021828
"518080"	490.288224	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M-3H"	-3.021828
"889198"	162.757890666667	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-3H"	-3.021828
"12148"	490.288224	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M-2H"	-2.014552
"448428"	735.935974	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M-2H"	-2.014552
"824041"	244.640474	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-2H"	-2.014552
"85129"	981.583724	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M-H"	-1.007276
"519460"	1472.879224	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M-H"	-1.007276
"898235"	490.288224	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-H"	-1.007276
"49214"	998.610271	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M-2H+NH4"	16.019271
"495336"	1489.905771	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M-2H+NH4"	16.019271
"870951"	507.314771	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-2H+NH4"	16.019271
"46726"	1003.565666	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M-2H+Na"	20.974666
"486687"	1494.861166	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M-2H+Na"	20.974666
"864005"	512.270166	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-2H+Na"	20.974666
"1633409"	512.270166	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Na-2H"	20.974666
"106663"	508.276563	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M-H+Cl"	33.962126
"548653"	753.924313	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M-H+Cl"	33.962126
"942175"	262.628813	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-H+Cl"	33.962126
"282512"	1017.560402	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+Cl"	34.969402
"674361"	1508.855902	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+Cl"	34.969402
"1286762"	526.264902	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Cl"	34.969402
"27496"	1019.539606	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M-2H+K"	36.948606
"467784"	1510.835106	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M-2H+K"	36.948606
"836837"	528.244106	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-2H+K"	36.948606
"1563238"	528.244106	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+K-2H"	36.948606
"952951"	536.293694	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-H+HCOOH"	44.998194
"370436"	1027.589201	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+HCOOH-H"	44.998201
"355050"	1041.604851	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+Hac-H"	59.013851
"1503519"	550.309351	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Hac-H"	59.013851
"968509"	558.275651	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-H+NaCOOH"	66.980151
"123249"	526.264902	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+2Cl"	69.938804
"558071"	771.912652	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+2Cl"	69.938804
"1033430"	280.617152	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2Cl"	69.938804
"1250822"	570.214385	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Br"	78.918885
"1317281"	572.270372	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Cl+HCOOH"	80.974872
"1329674"	594.252329	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Cl+NaCOOH"	102.956829
"925716"	604.281086	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M-H+CF3COOH"	112.985586
"1303929"	640.257764	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Cl+CF3COOH"	148.962264
"1378887"	456.282824	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H-2H2O"	-35.012676
"1389823"	474.2928	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H-H2O"	-17.0027
"294977"	983.598276	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+H"	1.007276
"688493"	1474.893776	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+H"	1.007276
"1362654"	492.302776	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H"	1.007276
"139918"	492.302776	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+2H"	2.014552
"578387"	737.950526	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+2H"	2.014552
"1051560"	246.655026	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2H"	2.014552
"215086"	328.537609333333	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+3H"	3.021828
"648451"	492.302776	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+3H"	3.021828
"1164753"	164.772442666667	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+3H"	3.021828
"431676"	1000.624823	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+NH4"	18.033823
"799236"	1491.920323	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+NH4"	18.033823
"1695567"	509.329323	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+NH4"	18.033823
"342754"	500.8160495	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+H+NH4"	19.041099
"737729"	746.4637995	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+H+NH4"	19.041099
"1491428"	255.1682995	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H+NH4"	19.041099
"407923"	1005.580218	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+Na"	22.989218
"764664"	1496.875718	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+Na"	22.989218
"1616655"	514.284718	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Na"	22.989218
"328269"	503.293747	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+H+Na"	23.996494
"719959"	748.941497	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+H+Na"	23.996494
"1474878"	257.645997	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H+Na"	23.996494
"1067272"	172.099756666667	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2H+Na"	25.00377
"1270162"	524.328986	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+CH3OH+H"	33.033486
"391288"	1021.554158	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+K"	38.963158
"746452"	1512.849658	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+K"	38.963158
"1547414"	530.258658	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+K"	38.963158
"300579"	511.280717	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+H+K"	39.970434
"695187"	756.928467	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+H+K"	39.970434
"1446127"	265.632967	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H+K"	39.970434
"240528"	1024.624826	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+ACN+H"	42.033826
"1218705"	533.329326	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+ACN+H"	42.033826
"1206236"	267.168301	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+ACN+2H"	43.041102
"196554"	1027.56216	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+2Na-H"	44.97116
"641585"	1518.85766	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+2Na-H"	44.97116
"1145825"	536.26666	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2Na-H"	44.97116
"188029"	514.284718	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+2Na"	45.978436
"627340"	759.932468	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+2Na"	45.978436
"1130002"	268.636968	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2Na"	45.978436
"1413159"	179.427070666667	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H+2Na"	46.985712
"1443085"	538.308246	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H+HCOOH"	47.012746
"234966"	519.31774	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+3H2O+2H"	56.04448
"1519382"	552.36029	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+IsoProp+H"	61.06479
"420893"	522.271688	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+Na+K"	61.952376
"777878"	767.919438	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+Na+K"	61.952376
"1675302"	276.623938	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Na+K"	61.952376
"262915"	1046.606768	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+ACN+Na"	64.015768
"1237448"	555.311268	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+ACN+Na"	64.015768
"1723785"	555.334793	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+NH4+HCOOH"	64.039293
"1189503"	186.754384666667	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+3Na"	68.967654
"1661217"	560.290188	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Na+HCOOH"	68.994688
"167713"	1059.51004	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+2K-H"	76.91904
"606905"	1550.80554	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+2K-H"	76.91904
"1094700"	568.21454	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2K-H"	76.91904
"152245"	530.258658	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"2M+2K"	77.926316
"588163"	775.906408	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"3M+2K"	77.926316
"1080333"	284.610908	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2K"	77.926316
"1109896"	570.229092	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2K+H"	78.933592
"1340082"	570.316707	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+DMSO+H"	79.021207
"1008612"	574.355876	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2ACN+H"	83.060376
"1531110"	575.349508	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+IsoProp+Na+H"	84.054008
"991239"	287.681576	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+2ACN+2H"	84.067652
"1587235"	576.264128	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+K+HCOOH"	84.968628
"1414474"	606.295638	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+H+CF3COOH"	115.000138
"1147317"	308.194851	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+3ACN+2H"	125.094202
"1697313"	623.322185	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+NH4+CF3COOH"	132.026685
"1636493"	628.27758	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+Na+CF3COOH"	136.98208
"1571534"	644.25152	"C03524"	"N2-Acetylgentamicin C1a"	"C21H41N5O8"	"491.2955"	"M+K+CF3COOH"	152.95602
"817011"	309.106	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M"	0
"985890"	290.08761	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-H2O-H"	-19.01839
"77411"	205.063390666667	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M-3H"	-3.021828
"509316"	308.098724	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M-3H"	-3.021828
"890401"	102.028057333333	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-3H"	-3.021828
"12259"	308.098724	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M-2H"	-2.014552
"445259"	462.651724	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M-2H"	-2.014552
"823059"	153.545724	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-2H"	-2.014552
"81960"	617.204724	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M-H"	-1.007276
"519939"	926.310724	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M-H"	-1.007276
"903697"	308.098724	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-H"	-1.007276
"54792"	634.231271	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M-2H+NH4"	16.019271
"501894"	943.337271	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M-2H+NH4"	16.019271
"878612"	325.125271	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-2H+NH4"	16.019271
"46717"	639.186666	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M-2H+Na"	20.974666
"486956"	948.292666	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M-2H+Na"	20.974666
"863513"	330.080666	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-2H+Na"	20.974666
"1632071"	330.080666	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Na-2H"	20.974666
"108235"	326.087063	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M-H+Cl"	33.962126
"546699"	480.640063	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M-H+Cl"	33.962126
"939848"	171.534063	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-H+Cl"	33.962126
"279133"	653.181402	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+Cl"	34.969402
"673984"	962.287402	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+Cl"	34.969402
"1286143"	344.075402	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Cl"	34.969402
"26876"	655.160606	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M-2H+K"	36.948606
"467527"	964.266606	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M-2H+K"	36.948606
"836947"	346.054606	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-2H+K"	36.948606
"1558250"	346.054606	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+K-2H"	36.948606
"953426"	354.104194	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-H+HCOOH"	44.998194
"369454"	663.210201	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+HCOOH-H"	44.998201
"354431"	677.225851	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+Hac-H"	59.013851
"1502171"	368.119851	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Hac-H"	59.013851
"972632"	376.086151	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-H+NaCOOH"	66.980151
"124091"	344.075402	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+2Cl"	69.938804
"561463"	498.628402	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+2Cl"	69.938804
"1036460"	189.522402	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2Cl"	69.938804
"1254945"	388.024885	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Br"	78.918885
"1317393"	390.080872	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Cl+HCOOH"	80.974872
"1330880"	412.062829	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Cl+NaCOOH"	102.956829
"919752"	422.091586	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M-H+CF3COOH"	112.985586
"1303914"	458.068264	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Cl+CF3COOH"	148.962264
"1377904"	274.093324	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H-2H2O"	-35.012676
"1394307"	292.1033	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H-H2O"	-17.0027
"295087"	619.219276	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+H"	1.007276
"688604"	928.325276	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+H"	1.007276
"1360579"	310.113276	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H"	1.007276
"139303"	310.113276	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+2H"	2.014552
"580320"	464.666276	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+2H"	2.014552
"1050577"	155.560276	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2H"	2.014552
"206450"	207.077942666667	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+3H"	3.021828
"646739"	310.113276	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+3H"	3.021828
"1168147"	104.042609333333	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+3H"	3.021828
"431787"	636.245823	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+NH4"	18.033823
"801136"	945.351823	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+NH4"	18.033823
"1696415"	327.139823	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+NH4"	18.033823
"344689"	318.6265495	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+H+NH4"	19.041099
"737475"	473.1795495	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+H+NH4"	19.041099
"1490566"	164.0735495	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H+NH4"	19.041099
"400132"	641.201218	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+Na"	22.989218
"763315"	950.307218	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+Na"	22.989218
"1616517"	332.095218	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Na"	22.989218
"327284"	321.104247	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+H+Na"	23.996494
"721286"	475.657247	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+H+Na"	23.996494
"1470973"	166.551247	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H+Na"	23.996494
"1064219"	111.369923333333	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2H+Na"	25.00377
"1265897"	342.139486	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+CH3OH+H"	33.033486
"387755"	657.175158	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+K"	38.963158
"748750"	966.281158	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+K"	38.963158
"1548617"	348.069158	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+K"	38.963158
"300446"	329.091217	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+H+K"	39.970434
"694933"	483.644217	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+H+K"	39.970434
"1448755"	174.538217	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H+K"	39.970434
"239544"	660.245826	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+ACN+H"	42.033826
"1218819"	351.139826	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+ACN+H"	42.033826
"1207442"	176.073551	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+ACN+2H"	43.041102
"200311"	663.18316	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+2Na-H"	44.97116
"640602"	972.28916	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+2Na-H"	44.97116
"1145203"	354.07716	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2Na-H"	44.97116
"188020"	332.095218	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+2Na"	45.978436
"627207"	486.648218	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+2Na"	45.978436
"1130350"	177.542218	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2Na"	45.978436
"1412541"	118.697237333333	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H+2Na"	46.985712
"1444654"	356.118746	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H+HCOOH"	47.012746
"234712"	337.12824	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+3H2O+2H"	56.04448
"1522046"	370.17079	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+IsoProp+H"	61.06479
"414805"	340.082188	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+Na+K"	61.952376
"777987"	494.635188	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+Na+K"	61.952376
"1674318"	185.529188	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Na+K"	61.952376
"263756"	682.227768	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+ACN+Na"	64.015768
"1236466"	373.121768	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+ACN+Na"	64.015768
"1720978"	373.145293	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+NH4+HCOOH"	64.039293
"1188520"	126.024551333333	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+3Na"	68.967654
"1658776"	378.100688	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Na+HCOOH"	68.994688
"169281"	695.13104	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+2K-H"	76.91904
"608478"	1004.23704	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+2K-H"	76.91904
"1095173"	386.02504	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2K-H"	76.91904
"153083"	348.069158	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"2M+2K"	77.926316
"590461"	502.622158	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"3M+2K"	77.926316
"1081538"	193.516158	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2K"	77.926316
"1109642"	388.039592	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2K+H"	78.933592
"1339099"	388.127207	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+DMSO+H"	79.021207
"1007630"	392.166376	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2ACN+H"	83.060376
"1527942"	393.160008	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+IsoProp+Na+H"	84.054008
"993295"	196.586826	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+2ACN+2H"	84.067652
"1588037"	394.074628	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+K+HCOOH"	84.968628
"1414304"	424.106138	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+H+CF3COOH"	115.000138
"1147751"	217.100101	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+3ACN+2H"	125.094202
"1699858"	441.132685	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+NH4+CF3COOH"	132.026685
"1638790"	446.08808	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+Na+CF3COOH"	136.98208
"1571765"	462.06202	"C03525"	"O-Acetylneuraminic acid;O-Acetylated sialic acid"	"C11H19NO9"	"309.106"	"M+K+CF3COOH"	152.95602
"814652"	194.1671	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M"	0
"985998"	175.14871	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-H2O-H"	-19.01839
"73147"	128.437457333333	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M-3H"	-3.021828
"510520"	193.159824	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M-3H"	-3.021828
"892698"	63.7150906666667	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-3H"	-3.021828
"11275"	193.159824	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M-2H"	-2.014552
"448649"	290.243374	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M-2H"	-2.014552
"820983"	96.076274	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-2H"	-2.014552
"81339"	387.326924	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M-H"	-1.007276
"518622"	581.494024	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M-H"	-1.007276
"897611"	193.159824	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-H"	-1.007276
"52716"	404.353471	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M-2H+NH4"	16.019271
"501029"	598.520571	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M-2H+NH4"	16.019271
"879413"	210.186371	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-2H+NH4"	16.019271
"46418"	409.308866	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M-2H+Na"	20.974666
"486264"	603.475966	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M-2H+Na"	20.974666
"863336"	215.141766	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-2H+Na"	20.974666
"1630720"	215.141766	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Na-2H"	20.974666
"105791"	211.148163	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M-H+Cl"	33.962126
"547903"	308.231713	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M-H+Cl"	33.962126
"942147"	114.064613	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-H+Cl"	33.962126
"279606"	423.303602	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+Cl"	34.969402
"673486"	617.470702	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+Cl"	34.969402
"1286252"	229.136502	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Cl"	34.969402
"28078"	425.282806	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M-2H+K"	36.948606
"463267"	619.449906	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M-2H+K"	36.948606
"836690"	231.115706	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-2H+K"	36.948606
"1561276"	231.115706	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+K-2H"	36.948606
"948068"	239.165294	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-H+HCOOH"	44.998194
"367378"	433.332401	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+HCOOH-H"	44.998201
"351261"	447.348051	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+Hac-H"	59.013851
"1498999"	253.180951	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Hac-H"	59.013851
"963257"	261.147251	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-H+NaCOOH"	66.980151
"120553"	229.136502	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+2Cl"	69.938804
"558291"	326.220052	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+2Cl"	69.938804
"1031464"	132.052952	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2Cl"	69.938804
"1253963"	273.085985	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Br"	78.918885
"1317504"	275.141972	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Cl+HCOOH"	80.974872
"1329897"	297.123929	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Cl+NaCOOH"	102.956829
"916582"	307.152686	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M-H+CF3COOH"	112.985586
"1294385"	343.129364	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Cl+CF3COOH"	148.962264
"1369264"	159.154424	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H-2H2O"	-35.012676
"1395512"	177.1644	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H-H2O"	-17.0027
"298360"	389.341476	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+H"	1.007276
"686528"	583.508576	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+H"	1.007276
"1365066"	195.174376	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H"	1.007276
"139046"	195.174376	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+2H"	2.014552
"573139"	292.257926	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+2H"	2.014552
"1041209"	98.090826	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2H"	2.014552
"206924"	130.452009333333	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+3H"	3.021828
"646483"	195.174376	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+3H"	3.021828
"1170809"	65.7296426666667	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+3H"	3.021828
"425816"	406.368023	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+NH4"	18.033823
"790339"	600.535123	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+NH4"	18.033823
"1688131"	212.200923	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+NH4"	18.033823
"344675"	203.6876495	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+H+NH4"	19.041099
"734301"	300.7711995	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+H+NH4"	19.041099
"1492134"	106.6040995	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H+NH4"	19.041099
"408263"	411.323418	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+Na"	22.989218
"767799"	605.490518	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+Na"	22.989218
"1617722"	217.156318	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Na"	22.989218
"327028"	206.165347	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+H+Na"	23.996494
"715075"	303.248897	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+H+Na"	23.996494
"1475826"	109.081797	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H+Na"	23.996494
"1063235"	73.0569566666667	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2H+Na"	25.00377
"1271110"	227.200586	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+CH3OH+H"	33.033486
"392571"	427.297358	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+K"	38.963158
"751047"	621.464458	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+K"	38.963158
"1544353"	233.130258	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+K"	38.963158
"302623"	214.152317	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+H+K"	39.970434
"698327"	311.235867	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+H+K"	39.970434
"1453241"	117.068767	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H+K"	39.970434
"244031"	430.368026	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+ACN+H"	42.033826
"1225213"	236.200926	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+ACN+H"	42.033826
"1207186"	118.604101	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+ACN+2H"	43.041102
"204176"	433.30536	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+2Na-H"	44.97116
"644033"	627.47246	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+2Na-H"	44.97116
"1146661"	239.13826	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2Na-H"	44.97116
"187519"	217.156318	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+2Na"	45.978436
"628095"	314.239868	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+2Na"	45.978436
"1130104"	120.072768	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2Na"	45.978436
"1413587"	80.3842706666667	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H+2Na"	46.985712
"1445012"	241.179846	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H+HCOOH"	47.012746
"232273"	222.18934	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+3H2O+2H"	56.04448
"1520700"	255.23189	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+IsoProp+H"	61.06479
"420749"	225.143288	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+Na+K"	61.952376
"777004"	322.226838	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+Na+K"	61.952376
"1676615"	128.059738	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Na+K"	61.952376
"263503"	452.349968	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+ACN+Na"	64.015768
"1237671"	258.182868	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+ACN+Na"	64.015768
"1725099"	258.206393	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+NH4+HCOOH"	64.039293
"1190089"	87.7115846666667	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+3Na"	68.967654
"1661070"	263.161788	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Na+HCOOH"	68.994688
"169394"	465.25324	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+2K-H"	76.91904
"608953"	659.42034	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+2K-H"	76.91904
"1097837"	271.08614	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2K-H"	76.91904
"153564"	233.130258	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"2M+2K"	77.926316
"594581"	330.213808	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"3M+2K"	77.926316
"1083111"	136.046708	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2K"	77.926316
"1111573"	273.100692	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2K+H"	78.933592
"1346500"	273.188307	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+DMSO+H"	79.021207
"1017217"	277.227476	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2ACN+H"	83.060376
"1536436"	278.221108	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+IsoProp+Na+H"	84.054008
"993405"	139.117376	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+2ACN+2H"	84.067652
"1587905"	279.135728	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+K+HCOOH"	84.968628
"1415387"	309.167238	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+H+CF3COOH"	115.000138
"1149687"	159.630651	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+3ACN+2H"	125.094202
"1703249"	326.193785	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+NH4+CF3COOH"	132.026685
"1638900"	331.14918	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+Na+CF3COOH"	136.98208
"1571389"	347.12312	"C03527"	"Oxidized Latia luciferin"	"C13H22O"	"194.1671"	"M+K+CF3COOH"	152.95602
"802736"	293.0539	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M"	0
"979552"	274.03551	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-H2O-H"	-19.01839
"76179"	194.361990666667	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M-3H"	-3.021828
"509542"	292.046624	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M-3H"	-3.021828
"892814"	96.6773573333333	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-3H"	-3.021828
"9202"	292.046624	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M-2H"	-2.014552
"445482"	438.573574	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M-2H"	-2.014552
"823284"	145.519674	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-2H"	-2.014552
"92755"	585.100524	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M-H"	-1.007276
"532687"	878.154424	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M-H"	-1.007276
"909394"	292.046624	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-H"	-1.007276
"62317"	602.127071	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M-2H+NH4"	16.019271
"501144"	895.180971	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M-2H+NH4"	16.019271
"876760"	309.073171	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-2H+NH4"	16.019271
"46728"	607.082466	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M-2H+Na"	20.974666
"485315"	900.136366	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M-2H+Na"	20.974666
"858742"	314.028566	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-2H+Na"	20.974666
"1631923"	314.028566	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Na-2H"	20.974666
"105898"	310.034963	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M-H+Cl"	33.962126
"543270"	456.561913	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M-H+Cl"	33.962126
"937876"	163.508013	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-H+Cl"	33.962126
"273162"	621.077202	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+Cl"	34.969402
"673235"	914.131102	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+Cl"	34.969402
"1286731"	328.023302	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Cl"	34.969402
"30507"	623.056406	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M-2H+K"	36.948606
"469946"	916.110306	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M-2H+K"	36.948606
"844464"	330.002506	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-2H+K"	36.948606
"1567958"	330.002506	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+K-2H"	36.948606
"953653"	338.052094	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-H+HCOOH"	44.998194
"371870"	631.106001	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+HCOOH-H"	44.998201
"355753"	645.121651	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+Hac-H"	59.013851
"1495836"	352.067751	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Hac-H"	59.013851
"967752"	360.034051	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-H+NaCOOH"	66.980151
"121033"	328.023302	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+2Cl"	69.938804
"560595"	474.550252	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+2Cl"	69.938804
"1030487"	181.496352	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2Cl"	69.938804
"1254439"	371.972785	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Br"	78.918885
"1318353"	374.028772	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Cl+HCOOH"	80.974872
"1334273"	396.010729	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Cl+NaCOOH"	102.956829
"925333"	406.039486	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M-H+CF3COOH"	112.985586
"1303249"	442.016164	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Cl+CF3COOH"	148.962264
"1379955"	258.041224	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H-2H2O"	-35.012676
"1395627"	276.0512	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H-H2O"	-17.0027
"290937"	587.115076	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+H"	1.007276
"677894"	880.168976	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+H"	1.007276
"1352416"	294.061176	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H"	1.007276
"127858"	294.061176	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+2H"	2.014552
"573256"	440.588126	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+2H"	2.014552
"1041688"	147.534226	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2H"	2.014552
"206670"	196.376542666667	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+3H"	3.021828
"653891"	294.061176	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+3H"	3.021828
"1173112"	98.6919093333333	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+3H"	3.021828
"438821"	604.141623	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+NH4"	18.033823
"798842"	897.195523	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+NH4"	18.033823
"1690434"	311.087723	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+NH4"	18.033823
"344911"	302.5744495	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+H+NH4"	19.041099
"736239"	449.1013995	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+H+NH4"	19.041099
"1483861"	156.0474995	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H+NH4"	19.041099
"406187"	609.097018	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+Na"	22.989218
"765724"	902.150918	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+Na"	22.989218
"1612728"	316.043118	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Na"	22.989218
"326776"	305.052147	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+H+Na"	23.996494
"722401"	451.579097	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+H+Na"	23.996494
"1475936"	158.525197	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H+Na"	23.996494
"1061162"	106.019223333333	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2H+Na"	25.00377
"1267215"	326.087386	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+CH3OH+H"	33.033486
"382509"	625.070958	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+K"	38.963158
"742410"	918.124858	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+K"	38.963158
"1542277"	332.017058	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+K"	38.963158
"304923"	313.039117	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+H+K"	39.970434
"705003"	459.566067	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+H+K"	39.970434
"1456635"	166.512167	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H+K"	39.970434
"251384"	628.141626	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+ACN+H"	42.033826
"1225480"	335.087726	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+ACN+H"	42.033826
"1209824"	168.047501	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+ACN+2H"	43.041102
"204118"	631.07896	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+2Na-H"	44.97116
"644162"	924.13286	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+2Na-H"	44.97116
"1146976"	338.02506	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2Na-H"	44.97116
"188158"	316.043118	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+2Na"	45.978436
"627919"	462.570068	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+2Na"	45.978436
"1130701"	169.516168	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2Na"	45.978436
"1413491"	113.346537333333	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H+2Na"	46.985712
"1444509"	340.066646	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H+HCOOH"	47.012746
"235256"	321.07614	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+3H2O+2H"	56.04448
"1520807"	354.11869	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+IsoProp+H"	61.06479
"420491"	324.030088	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+Na+K"	61.952376
"782580"	470.557038	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+Na+K"	61.952376
"1674537"	177.503138	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Na+K"	61.952376
"262153"	650.123568	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+ACN+Na"	64.015768
"1234862"	357.069668	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+ACN+Na"	64.015768
"1722654"	357.093193	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+NH4+HCOOH"	64.039293
"1188740"	120.673851333333	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+3Na"	68.967654
"1660820"	362.048588	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Na+HCOOH"	68.994688
"168775"	663.02684	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+2K-H"	76.91904
"607605"	956.08074	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+2K-H"	76.91904
"1096126"	369.97294	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2K-H"	76.91904
"151849"	332.017058	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"2M+2K"	77.926316
"592504"	478.544008	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"3M+2K"	77.926316
"1078109"	185.490108	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2K"	77.926316
"1109131"	371.987492	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2K+H"	78.933592
"1343692"	372.075107	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+DMSO+H"	79.021207
"1014409"	376.114276	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2ACN+H"	83.060376
"1533630"	377.107908	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+IsoProp+Na+H"	84.054008
"996796"	188.560776	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+2ACN+2H"	84.067652
"1592392"	378.022528	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+K+HCOOH"	84.968628
"1420237"	408.054038	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+H+CF3COOH"	115.000138
"1150530"	209.074051	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+3ACN+2H"	125.094202
"1709923"	425.080585	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+NH4+CF3COOH"	132.026685
"1646668"	430.03598	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+Na+CF3COOH"	136.98208
"1579037"	446.00992	"C03536"	"Pyrimidine 5-nucleotide"	"C9H14N2O7P"	"293.0539"	"M+K+CF3COOH"	152.95602
"806126"	119.0405	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M"	0
"979662"	100.02211	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-H2O-H"	-19.01839
"75560"	78.3530573333333	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M-3H"	-3.021828
"508559"	118.033224	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M-3H"	-3.021828
"892924"	38.6728906666667	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-3H"	-3.021828
"8219"	118.033224	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M-2H"	-2.014552
"445592"	177.553474	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M-2H"	-2.014552
"823394"	58.512974	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-2H"	-2.014552
"90312"	237.073724	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M-H"	-1.007276
"533166"	356.114224	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M-H"	-1.007276
"910360"	118.033224	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-H"	-1.007276
"62804"	254.100271	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M-2H+NH4"	16.019271
"502716"	373.140771	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M-2H+NH4"	16.019271
"878455"	135.059771	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-2H+NH4"	16.019271
"46964"	259.055666	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M-2H+Na"	20.974666
"486160"	378.096166	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M-2H+Na"	20.974666
"860678"	140.015166	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-2H+Na"	20.974666
"1632035"	140.015166	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Na-2H"	20.974666
"107102"	136.021563	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M-H+Cl"	33.962126
"543380"	195.541813	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M-H+Cl"	33.962126
"934705"	76.501313	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-H+Cl"	33.962126
"277646"	273.050402	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+Cl"	34.969402
"674439"	392.090902	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+Cl"	34.969402
"1287815"	154.009902	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Cl"	34.969402
"29400"	275.029606	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M-2H+K"	36.948606
"470057"	394.070106	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M-2H+K"	36.948606
"841294"	155.989106	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-2H+K"	36.948606
"1569891"	155.989106	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+K-2H"	36.948606
"954857"	164.038694	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-H+HCOOH"	44.998194
"373803"	283.079201	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+HCOOH-H"	44.998201
"357323"	297.094851	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+Hac-H"	59.013851
"1502506"	178.054351	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Hac-H"	59.013851
"971508"	186.020651	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-H+NaCOOH"	66.980151
"122967"	154.009902	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+2Cl"	69.938804
"563986"	213.530152	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+2Cl"	69.938804
"1036429"	94.489652	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2Cl"	69.938804
"1255643"	197.959385	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Br"	78.918885
"1318099"	200.015372	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Cl+HCOOH"	80.974872
"1335232"	221.997329	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Cl+NaCOOH"	102.956829
"924465"	232.026086	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M-H+CF3COOH"	112.985586
"1302264"	268.002764	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Cl+CF3COOH"	148.962264
"1380428"	84.027824	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H-2H2O"	-35.012676
"1396830"	102.0378	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H-H2O"	-17.0027
"287767"	239.088276	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+H"	1.007276
"678003"	358.128776	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+H"	1.007276
"1356540"	120.047776	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H"	1.007276
"133804"	120.047776	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+2H"	2.014552
"576646"	179.568026	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+2H"	2.014552
"1041071"	60.527526	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2H"	2.014552
"207511"	80.3676093333333	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+3H"	3.021828
"649626"	120.047776	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+3H"	3.021828
"1167752"	40.6874426666667	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+3H"	3.021828
"439540"	256.114823	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+NH4"	18.033823
"799318"	375.155323	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+NH4"	18.033823
"1694919"	137.074323	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+NH4"	18.033823
"344293"	128.5610495	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+H+NH4"	19.041099
"732338"	188.0812995	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+H+NH4"	19.041099
"1479597"	69.0407995	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H+NH4"	19.041099
"398277"	261.070218	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+Na"	22.989218
"762553"	380.110718	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+Na"	22.989218
"1611742"	142.029718	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Na"	22.989218
"319594"	131.038747	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+H+Na"	23.996494
"720767"	190.558997	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+H+Na"	23.996494
"1471305"	71.518497	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H+Na"	23.996494
"1063460"	48.0147566666667	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2H+Na"	25.00377
"1266596"	152.073986	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+CH3OH+H"	33.033486
"385898"	277.044158	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+K"	38.963158
"748717"	396.084658	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+K"	38.963158
"1545666"	158.003658	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+K"	38.963158
"301747"	139.025717	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+H+K"	39.970434
"693075"	198.545967	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+H+K"	39.970434
"1447992"	79.505467	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H+K"	39.970434
"237687"	280.114826	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+ACN+H"	42.033826
"1223889"	161.074326	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+ACN+H"	42.033826
"1201937"	81.040801	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+ACN+2H"	43.041102
"199184"	283.05216	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+2Na-H"	44.97116
"640932"	402.09266	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+2Na-H"	44.97116
"1146595"	164.01166	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2Na-H"	44.97116
"187492"	142.029718	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+2Na"	45.978436
"626569"	201.549968	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+2Na"	45.978436
"1130435"	82.509468	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2Na"	45.978436
"1412746"	55.3420706666667	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H+2Na"	46.985712
"1444497"	166.053246	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H+HCOOH"	47.012746
"235161"	147.06274	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+3H2O+2H"	56.04448
"1522249"	180.10529	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+IsoProp+H"	61.06479
"423520"	150.016688	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+Na+K"	61.952376
"783418"	209.536938	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+Na+K"	61.952376
"1675739"	90.496438	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Na+K"	61.952376
"256794"	302.096768	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+ACN+Na"	64.015768
"1236064"	183.056268	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+ACN+Na"	64.015768
"1724952"	183.079793	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+NH4+HCOOH"	64.039293
"1185204"	62.6693846666667	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+3Na"	68.967654
"1659471"	188.035188	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Na+HCOOH"	68.994688
"164145"	315.00004	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+2K-H"	76.91904
"606621"	434.04054	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+2K-H"	76.91904
"1092226"	195.95954	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2K-H"	76.91904
"150135"	158.003658	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"2M+2K"	77.926316
"585322"	217.523908	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"3M+2K"	77.926316
"1078219"	98.483408	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2K"	77.926316
"1107054"	197.974092	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2K+H"	78.933592
"1340522"	198.061707	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+DMSO+H"	79.021207
"1009051"	202.100876	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2ACN+H"	83.060376
"1533375"	203.094508	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+IsoProp+Na+H"	84.054008
"996906"	101.554076	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+2ACN+2H"	84.067652
"1592501"	204.009128	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+K+HCOOH"	84.968628
"1420347"	234.040638	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+H+CF3COOH"	115.000138
"1150640"	122.067351	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+3ACN+2H"	125.094202
"1710033"	251.067185	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+NH4+CF3COOH"	132.026685
"1646778"	256.02258	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+Na+CF3COOH"	136.98208
"1579147"	271.99652	"C03537"	"S-Acetylthioethanolamine"	"C4H9NOS"	"119.0405"	"M+K+CF3COOH"	152.95602
"805142"	267.0777	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M"	0
"979772"	248.05931	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-H2O-H"	-19.01839
"75670"	177.044524	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M-3H"	-3.021828
"509762"	266.070424	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M-3H"	-3.021828
"893034"	88.018624	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-3H"	-3.021828
"8329"	266.070424	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M-2H"	-2.014552
"445702"	399.609274	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M-2H"	-2.014552
"823504"	132.531574	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-2H"	-2.014552
"88963"	533.148124	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M-H"	-1.007276
"533762"	800.225824	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M-H"	-1.007276
"910959"	266.070424	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-H"	-1.007276
"62052"	550.174671	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M-2H+NH4"	16.019271
"502547"	817.252371	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M-2H+NH4"	16.019271
"878320"	283.096971	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-2H+NH4"	16.019271
"46475"	555.130066	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M-2H+Na"	20.974666
"485662"	822.207766	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M-2H+Na"	20.974666
"861883"	288.052366	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-2H+Na"	20.974666
"1632268"	288.052366	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Na-2H"	20.974666
"106484"	284.058763	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M-H+Cl"	33.962126
"543490"	417.597613	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M-H+Cl"	33.962126
"935909"	150.519913	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-H+Cl"	33.962126
"277756"	569.124802	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+Cl"	34.969402
"673825"	836.202502	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+Cl"	34.969402
"1286955"	302.047102	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Cl"	34.969402
"29510"	571.104006	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M-2H+K"	36.948606
"466887"	838.181706	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M-2H+K"	36.948606
"841404"	304.026306	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-2H+K"	36.948606
"1570365"	304.026306	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+K-2H"	36.948606
"957153"	312.075894	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-H+HCOOH"	44.998194
"374279"	579.153601	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+HCOOH-H"	44.998201
"358160"	593.169251	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+Hac-H"	59.013851
"1502616"	326.091551	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Hac-H"	59.013851
"972348"	334.057851	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-H+NaCOOH"	66.980151
"123440"	302.047102	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+2Cl"	69.938804
"561907"	435.585952	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+2Cl"	69.938804
"1027426"	168.508252	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2Cl"	69.938804
"1251378"	345.996585	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Br"	78.918885
"1317841"	348.052572	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Cl+HCOOH"	80.974872
"1335548"	370.034529	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Cl+NaCOOH"	102.956829
"925668"	380.063286	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M-H+CF3COOH"	112.985586
"1302744"	416.039964	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Cl+CF3COOH"	148.962264
"1380540"	232.065024	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H-2H2O"	-35.012676
"1398032"	250.075	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H-H2O"	-17.0027
"292252"	535.162676	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+H"	1.007276
"681393"	802.240376	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+H"	1.007276
"1356650"	268.084976	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H"	1.007276
"135007"	268.084976	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+2H"	2.014552
"575663"	401.623826	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+2H"	2.014552
"1043002"	134.546126	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2H"	2.014552
"207985"	179.059076	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+3H"	3.021828
"653016"	268.084976	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+3H"	3.021828
"1169318"	90.033176	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+3H"	3.021828
"438560"	552.189223	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+NH4"	18.033823
"800403"	819.266923	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+NH4"	18.033823
"1692477"	285.111523	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+NH4"	18.033823
"341850"	276.5982495	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+H+NH4"	19.041099
"731355"	410.1370995	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+H+NH4"	19.041099
"1484078"	143.0593995	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H+NH4"	19.041099
"398386"	557.144618	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+Na"	22.989218
"763756"	824.222318	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+Na"	22.989218
"1611852"	290.066918	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Na"	22.989218
"324079"	279.075947	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+H+Na"	23.996494
"718325"	412.614797	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+H+Na"	23.996494
"1474334"	145.537097	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H+Na"	23.996494
"1062475"	97.36049	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2H+Na"	25.00377
"1268894"	300.111186	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+CH3OH+H"	33.033486
"387833"	573.118558	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+K"	38.963158
"747005"	840.196258	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+K"	38.963158
"1545777"	306.040858	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+K"	38.963158
"301492"	287.062917	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+H+K"	39.970434
"695372"	420.601767	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+H+K"	39.970434
"1448102"	153.524067	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H+K"	39.970434
"239982"	576.189226	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+ACN+H"	42.033826
"1223271"	309.111526	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+ACN+H"	42.033826
"1207518"	155.059401	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+ACN+2H"	43.041102
"200024"	579.12656	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+2Na-H"	44.97116
"638855"	846.20426	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+2Na-H"	44.97116
"1144795"	312.04886	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2Na-H"	44.97116
"186385"	290.066918	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+2Na"	45.978436
"626919"	423.605768	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+2Na"	45.978436
"1129819"	156.528068	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2Na"	45.978436
"1412249"	104.687804	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H+2Na"	46.985712
"1443756"	314.090446	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H+HCOOH"	47.012746
"234055"	295.09994	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+3H2O+2H"	56.04448
"1523332"	328.14249	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+IsoProp+H"	61.06479
"421808"	298.053888	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+Na+K"	61.952376
"783771"	431.592738	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+Na+K"	61.952376
"1676942"	164.515038	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Na+K"	61.952376
"261277"	598.171168	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+ACN+Na"	64.015768
"1236172"	331.093468	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+ACN+Na"	64.015768
"1723602"	331.116993	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+NH4+HCOOH"	64.039293
"1187133"	112.015118	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+3Na"	68.967654
"1660309"	336.072388	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Na+HCOOH"	68.994688
"166076"	611.07444	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+2K-H"	76.91904
"603450"	878.15214	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+2K-H"	76.91904
"1092335"	343.99674	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2K-H"	76.91904
"150245"	306.040858	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"2M+2K"	77.926316
"585430"	439.579708	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"3M+2K"	77.926316
"1073225"	172.502008	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2K"	77.926316
"1107529"	346.011292	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2K+H"	78.933592
"1338445"	346.098907	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+DMSO+H"	79.021207
"1009161"	350.138076	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2ACN+H"	83.060376
"1528379"	351.131708	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+IsoProp+Na+H"	84.054008
"993734"	175.572676	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+2ACN+2H"	84.067652
"1591518"	352.046328	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+K+HCOOH"	84.968628
"1416448"	382.077838	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+H+CF3COOH"	115.000138
"1150750"	196.085951	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+3ACN+2H"	125.094202
"1710143"	399.104385	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+NH4+CF3COOH"	132.026685
"1647981"	404.05978	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+Na+CF3COOH"	136.98208
"1577071"	420.03372	"C03539"	"S-Ribosyl-L-homocysteine;S-D-Ribosyl-L-homocysteine;Ribose-5-S-homocysteine;S-Ribosylhomocysteine;S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine"	"C9H17NO6S"	"267.0777"	"M+K+CF3COOH"	152.95602
"812909"	260.0297	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"986442"	241.01131	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"64117"	172.345857333333	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"514251"	259.022424	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"884398"	85.6692906666667	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"5160"	259.022424	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"452374"	389.037274	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"831636"	129.007574	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"91272"	519.052124	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"531924"	779.081824	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"909122"	259.022424	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"61554"	536.078671	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"501850"	796.108371	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"878795"	276.048971	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"45733"	541.034066	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"486135"	801.063766	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"861627"	281.004366	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1630430"	281.004366	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"109264"	277.010763	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"539233"	407.025613	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"934937"	146.995913	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"276772"	555.028802	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"672110"	815.058502	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1282692"	294.999102	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"17592"	557.008006	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"465902"	817.037706	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"843704"	296.978306	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1569383"	296.978306	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"957263"	305.027894	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"372930"	565.057601	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"360096"	579.073251	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1504914"	319.043551	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"971365"	327.009851	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"124891"	294.999102	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"564572"	425.013952	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1036658"	164.984252	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1256478"	338.948585	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1319049"	341.004572	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1334607"	362.986529	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"926270"	373.015286	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1303216"	408.991964	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1381987"	225.017024	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1392676"	243.027	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"293456"	521.066676	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"681504"	781.096376	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1360040"	261.036976	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"131837"	261.036976	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"571397"	391.051826	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1050768"	131.022126	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"209189"	174.360409333333	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"659453"	261.036976	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1177581"	87.6838426666667	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"439154"	538.093223	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"800149"	798.122923	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1692951"	278.063523	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"340135"	269.5502495	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"737182"	399.5650995	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1489659"	139.5353995	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"405791"	543.048618	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"767147"	803.078318	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1613060"	283.018918	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"327839"	272.027947	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"719167"	402.042797	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1472257"	142.013097	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1064045"	95.0111566666667	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1270100"	293.063186	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"386120"	559.022558	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"753313"	819.052258	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1550259"	298.992858	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"304156"	280.014917	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"694390"	410.029767	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1458061"	150.000067	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"244474"	562.093226	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1223016"	302.063526	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1209057"	151.535401	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"202568"	565.03056	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"643350"	825.06026	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1144185"	305.00086	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"187595"	283.018918	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"627275"	413.033768	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1129440"	153.004068	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1412724"	102.338470666667	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1443746"	307.042446	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"234537"	288.05194	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1521132"	321.09449	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"418635"	291.005888	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"784003"	421.020738	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1677054"	160.991038	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"260294"	584.075168	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1235188"	324.045468	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1718608"	324.068993	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1183963"	109.665784666667	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1653857"	329.024388	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"166187"	596.97844	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"606841"	857.00814	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1092445"	336.94874	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"150355"	298.992858	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"584447"	429.007708	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1078803"	168.978008	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1107637"	338.963292	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1337826"	339.050907	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1005777"	343.090076	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1528491"	344.083708	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"990808"	172.048676	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1596006"	344.998328	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1427133"	375.029838	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1155235"	192.561951	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1712608"	392.056385	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1646998"	397.01178	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1576089"	412.98572	"C03546"	"myo-Inositol 4-phosphate;D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-phosphate;1D-myo-Inositol 4-monophosphate;Inositol 4-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"811927"	132.0059	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M"	0
"981088"	112.98751	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-H2O-H"	-19.01839
"72612"	86.9966573333333	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M-3H"	-3.021828
"506706"	130.998624	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M-3H"	-3.021828
"891068"	42.9946906666667	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-3H"	-3.021828
"8549"	130.998624	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M-2H"	-2.014552
"452483"	197.001574	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M-2H"	-2.014552
"823725"	64.995674	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-2H"	-2.014552
"94273"	263.004524	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M-H"	-1.007276
"533867"	395.010424	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M-H"	-1.007276
"909111"	130.998624	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-H"	-1.007276
"62644"	280.031071	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M-2H+NH4"	16.019271
"502571"	412.036971	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M-2H+NH4"	16.019271
"879753"	148.025171	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-2H+NH4"	16.019271
"46195"	284.986466	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M-2H+Na"	20.974666
"487046"	416.992366	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M-2H+Na"	20.974666
"863888"	152.980566	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-2H+Na"	20.974666
"1630540"	152.980566	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Na-2H"	20.974666
"101968"	148.986963	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M-H+Cl"	33.962126
"539343"	214.989913	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M-H+Cl"	33.962126
"931765"	82.984013	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-H+Cl"	33.962126
"277975"	298.981202	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+Cl"	34.969402
"669305"	430.987102	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+Cl"	34.969402
"1273685"	166.975302	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Cl"	34.969402
"24264"	300.960406	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M-2H+K"	36.948606
"468199"	432.966306	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M-2H+K"	36.948606
"839438"	168.954506	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-2H+K"	36.948606
"1567305"	168.954506	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+K-2H"	36.948606
"955190"	177.004094	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-H+HCOOH"	44.998194
"373769"	309.010001	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+HCOOH-H"	44.998201
"359597"	323.025651	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+Hac-H"	59.013851
"1505024"	191.019751	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Hac-H"	59.013851
"973830"	198.986051	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-H+NaCOOH"	66.980151
"124636"	166.975302	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+2Cl"	69.938804
"564928"	232.978252	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+2Cl"	69.938804
"1034942"	100.972352	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2Cl"	69.938804
"1253796"	210.924785	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Br"	78.918885
"1318064"	212.980772	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Cl+HCOOH"	80.974872
"1334468"	234.962729	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Cl+NaCOOH"	102.956829
"924793"	244.991486	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M-H+CF3COOH"	112.985586
"1302961"	280.968164	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Cl+CF3COOH"	148.962264
"1375287"	96.993224	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H-2H2O"	-35.012676
"1392784"	115.0032	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H-H2O"	-17.0027
"294659"	265.019076	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+H"	1.007276
"688539"	397.024976	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+H"	1.007276
"1361242"	133.013176	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H"	1.007276
"133037"	133.013176	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+2H"	2.014552
"572600"	199.016126	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+2H"	2.014552
"1045774"	67.010226	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2H"	2.014552
"216236"	89.0112093333333	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+3H"	3.021828
"658717"	133.013176	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+3H"	3.021828
"1176474"	45.0092426666667	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+3H"	3.021828
"438532"	282.045623	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+NH4"	18.033823
"799281"	414.051523	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+NH4"	18.033823
"1691967"	150.039723	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+NH4"	18.033823
"338059"	141.5264495	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+H+NH4"	19.041099
"736313"	207.5293995	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+H+NH4"	19.041099
"1484299"	75.5234995	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H+NH4"	19.041099
"400793"	287.001018	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+Na"	22.989218
"763979"	419.006918	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+Na"	22.989218
"1614265"	154.995118	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Na"	22.989218
"328677"	144.004147	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+H+Na"	23.996494
"714535"	210.007097	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+H+Na"	23.996494
"1472731"	78.001197	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H+Na"	23.996494
"1064883"	52.3365566666667	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2H+Na"	25.00377
"1270208"	165.039386	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+CH3OH+H"	33.033486
"386959"	302.974958	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+K"	38.963158
"751963"	434.980858	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+K"	38.963158
"1550369"	170.969058	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+K"	38.963158
"304263"	151.991117	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+H+K"	39.970434
"706175"	217.994067	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+H+K"	39.970434
"1454888"	85.988167	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H+K"	39.970434
"244582"	306.045626	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+ACN+H"	42.033826
"1224584"	174.039726	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+ACN+H"	42.033826
"1203360"	87.523501	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+ACN+2H"	43.041102
"203165"	308.98296	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+2Na-H"	44.97116
"643699"	440.98886	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+2Na-H"	44.97116
"1145265"	176.97706	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2Na-H"	44.97116
"187218"	154.995118	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+2Na"	45.978436
"627506"	220.998068	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+2Na"	45.978436
"1129670"	88.992168	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2Na"	45.978436
"1412833"	59.6638706666667	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H+2Na"	46.985712
"1443976"	179.018646	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H+HCOOH"	47.012746
"234646"	160.02814	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+3H2O+2H"	56.04448
"1523559"	193.07069	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+IsoProp+H"	61.06479
"420931"	162.982088	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+Na+K"	61.952376
"781928"	228.985038	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+Na+K"	61.952376
"1679347"	96.979138	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Na+K"	61.952376
"256030"	328.027568	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+ACN+Na"	64.015768
"1232018"	196.021668	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+ACN+Na"	64.015768
"1719813"	196.045193	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+NH4+HCOOH"	64.039293
"1187355"	66.9911846666667	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+3Na"	68.967654
"1657247"	201.000588	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Na+HCOOH"	68.994688
"167391"	340.93084	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+2K-H"	76.91904
"605856"	472.93674	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+2K-H"	76.91904
"1096566"	208.92494	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2K-H"	76.91904
"150465"	170.969058	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"2M+2K"	77.926316
"591119"	236.972008	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"3M+2K"	77.926316
"1075632"	104.966108	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2K"	77.926316
"1107747"	210.939492	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2K+H"	78.933592
"1337572"	211.027107	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+DMSO+H"	79.021207
"1006582"	215.066276	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2ACN+H"	83.060376
"1525563"	216.059908	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+IsoProp+Na+H"	84.054008
"993957"	108.036776	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+2ACN+2H"	84.067652
"1591741"	216.974528	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+K+HCOOH"	84.968628
"1419588"	247.006038	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+H+CF3COOH"	115.000138
"1150970"	128.550051	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+3ACN+2H"	125.094202
"1708177"	264.032585	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+NH4+CF3COOH"	132.026685
"1643829"	268.98798	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+Na+CF3COOH"	136.98208
"1572922"	284.96192	"C03548"	"trans-23-Epoxysuccinate"	"C4H4O5"	"132.0059"	"M+K+CF3COOH"	152.95602
"809850"	125.0242	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M"	0
"980105"	106.00581	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-H2O-H"	-19.01839
"72722"	82.3421906666667	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M-3H"	-3.021828
"510096"	124.016924	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M-3H"	-3.021828
"891178"	40.6674573333333	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-3H"	-3.021828
"8659"	124.016924	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M-2H"	-2.014552
"452593"	186.529024	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M-2H"	-2.014552
"823835"	61.504824	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-2H"	-2.014552
"94252"	249.041124	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M-H"	-1.007276
"533611"	374.065324	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M-H"	-1.007276
"908854"	124.016924	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-H"	-1.007276
"61895"	266.067671	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M-2H+NH4"	16.019271
"502812"	391.091871	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M-2H+NH4"	16.019271
"879816"	141.043471	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-2H+NH4"	16.019271
"46716"	271.023066	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M-2H+Na"	20.974666
"487101"	396.047266	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M-2H+Na"	20.974666
"864080"	145.998866	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-2H+Na"	20.974666
"1633975"	145.998866	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Na-2H"	20.974666
"100983"	142.005263	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M-H+Cl"	33.962126
"540546"	204.517363	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M-H+Cl"	33.962126
"936248"	79.493163	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-H+Cl"	33.962126
"275898"	285.017802	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+Cl"	34.969402
"665038"	410.042002	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+Cl"	34.969402
"1278170"	159.993602	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Cl"	34.969402
"24374"	286.997006	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M-2H+K"	36.948606
"468309"	412.021206	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M-2H+K"	36.948606
"839548"	161.972806	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-2H+K"	36.948606
"1566322"	161.972806	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+K-2H"	36.948606
"957406"	170.022394	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-H+HCOOH"	44.998194
"374607"	295.046601	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+HCOOH-H"	44.998201
"361085"	309.062251	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+Hac-H"	59.013851
"1506227"	184.038051	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Hac-H"	59.013851
"973045"	192.004351	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-H+NaCOOH"	66.980151
"124381"	159.993602	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+2Cl"	69.938804
"565580"	222.505702	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+2Cl"	69.938804
"1036388"	97.481502	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2Cl"	69.938804
"1256900"	203.943085	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Br"	78.918885
"1317441"	205.999072	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Cl+HCOOH"	80.974872
"1333845"	227.981029	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Cl+NaCOOH"	102.956829
"922716"	238.009786	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M-H+CF3COOH"	112.985586
"1303798"	273.986464	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Cl+CF3COOH"	148.962264
"1377584"	90.011524	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H-2H2O"	-35.012676
"1393987"	108.0215	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H-H2O"	-17.0027
"294769"	251.055676	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+H"	1.007276
"689377"	376.079876	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+H"	1.007276
"1360259"	126.031476	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H"	1.007276
"136428"	126.031476	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+2H"	2.014552
"569792"	188.543576	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+2H"	2.014552
"1042605"	63.519376	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2H"	2.014552
"215976"	84.3567426666667	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+3H"	3.021828
"656275"	126.031476	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+3H"	3.021828
"1177557"	42.6820093333333	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+3H"	3.021828
"438034"	268.082223	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+NH4"	18.033823
"800120"	393.106423	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+NH4"	18.033823
"1692077"	143.058023	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+NH4"	18.033823
"340355"	134.5447495	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+H+NH4"	19.041099
"736058"	197.0568495	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+H+NH4"	19.041099
"1488781"	72.0326495	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H+NH4"	19.041099
"401996"	273.037618	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+Na"	22.989218
"767369"	398.061818	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+Na"	22.989218
"1614375"	148.013418	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Na"	22.989218
"329151"	137.022447	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+H+Na"	23.996494
"717562"	199.534547	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+H+Na"	23.996494
"1472841"	74.510347	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H+Na"	23.996494
"1064628"	50.0093233333333	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2H+Na"	25.00377
"1268859"	158.057686	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+CH3OH+H"	33.033486
"389621"	289.011558	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+K"	38.963158
"752438"	414.035758	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+K"	38.963158
"1552303"	163.987358	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+K"	38.963158
"304375"	145.009417	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+H+K"	39.970434
"706649"	207.521517	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+H+K"	39.970434
"1456091"	82.497317	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H+K"	39.970434
"243599"	292.082226	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+ACN+H"	42.033826
"1224936"	167.058026	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+ACN+H"	42.033826
"1206752"	84.032651	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+ACN+2H"	43.041102
"203161"	295.01956	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+2Na-H"	44.97116
"642842"	420.04376	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+2Na-H"	44.97116
"1146103"	169.99536	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2Na-H"	44.97116
"185995"	148.013418	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+2Na"	45.978436
"628102"	210.525518	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+2Na"	45.978436
"1130638"	85.501318	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2Na"	45.978436
"1413839"	57.3366373333333	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H+2Na"	46.985712
"1445386"	172.036946	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H+HCOOH"	47.012746
"235448"	153.04644	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+3H2O+2H"	56.04448
"1523837"	186.08899	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+IsoProp+H"	61.06479
"423228"	156.000388	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+Na+K"	61.952376
"784832"	218.512488	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+Na+K"	61.952376
"1679458"	93.488288	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Na+K"	61.952376
"258327"	314.064168	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+ACN+Na"	64.015768
"1236504"	189.039968	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+ACN+Na"	64.015768
"1723203"	189.063493	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+NH4+HCOOH"	64.039293
"1185276"	64.6639513333333	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+3Na"	68.967654
"1658452"	194.018888	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Na+HCOOH"	68.994688
"163127"	326.96744	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+2K-H"	76.91904
"607060"	451.99164	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+2K-H"	76.91904
"1094855"	201.94324	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2K-H"	76.91904
"151669"	163.987358	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"2M+2K"	77.926316
"590865"	226.499458	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"3M+2K"	77.926316
"1076836"	101.475258	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2K"	77.926316
"1107857"	203.957792	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2K+H"	78.933592
"1338167"	204.045407	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+DMSO+H"	79.021207
"1006691"	208.084576	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2ACN+H"	83.060376
"1525795"	209.078208	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+IsoProp+Na+H"	84.054008
"994067"	104.545926	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+2ACN+2H"	84.067652
"1591851"	209.992828	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+K+HCOOH"	84.968628
"1416782"	240.024338	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+H+CF3COOH"	115.000138
"1151080"	125.059201	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+3ACN+2H"	125.094202
"1712714"	257.050885	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+NH4+CF3COOH"	132.026685
"1645032"	262.00628	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+Na+CF3COOH"	136.98208
"1579591"	277.98022	"C03557"	"2-Aminoethylphosphonate;(2-Aminoethyl)phosphonate;Ciliatine"	"C2H8NO3P"	"125.0242"	"M+K+CF3COOH"	152.95602
"809960"	853.152	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M"	0
"980215"	834.13361	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H2O-H"	-19.01839
"72832"	567.760724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-3H"	-3.021828
"506926"	852.144724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-3H"	-3.021828
"888008"	283.376724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-3H"	-3.021828
"8769"	852.144724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H"	-2.014552
"452703"	1278.720724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H"	-2.014552
"823945"	425.568724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H"	-2.014552
"94267"	1705.296724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H"	-1.007276
"533597"	2558.448724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H"	-1.007276
"907870"	852.144724	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H"	-1.007276
"62327"	1722.323271	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+NH4"	16.019271
"502541"	2575.475271	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+NH4"	16.019271
"879659"	869.171271	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+NH4"	16.019271
"46049"	1727.278666	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+Na"	20.974666
"486545"	2580.430666	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+Na"	20.974666
"863944"	874.126666	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+Na"	20.974666
"1632945"	874.126666	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na-2H"	20.974666
"98905"	870.133063	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H+Cl"	33.962126
"541749"	1296.709063	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H+Cl"	33.962126
"936358"	443.557063	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+Cl"	33.962126
"276008"	1741.273402	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Cl"	34.969402
"664056"	2594.425402	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Cl"	34.969402
"1277551"	888.121402	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl"	34.969402
"21203"	1743.252606	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+K"	36.948606
"468418"	2596.404606	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+K"	36.948606
"842938"	890.100606	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+K"	36.948606
"1566427"	890.100606	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K-2H"	36.948606
"953948"	898.150194	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+HCOOH"	44.998194
"373625"	1751.302201	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+HCOOH-H"	44.998201
"360183"	1765.317851	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Hac-H"	59.013851
"1505975"	912.165851	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Hac-H"	59.013851
"972425"	920.132151	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+NaCOOH"	66.980151
"121332"	888.121402	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Cl"	69.938804
"563079"	1314.697402	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Cl"	69.938804
"1036867"	461.545402	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Cl"	69.938804
"1256526"	932.070885	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Br"	78.918885
"1318279"	934.126872	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+HCOOH"	80.974872
"1335047"	956.108829	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+NaCOOH"	102.956829
"922826"	966.137586	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+CF3COOH"	112.985586
"1300627"	1002.114264	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+CF3COOH"	148.962264
"1377694"	818.139324	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-2H2O"	-35.012676
"1394097"	836.1493	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-H2O"	-17.0027
"295972"	1707.311276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H"	1.007276
"688394"	2560.463276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H"	1.007276
"1360369"	854.159276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H"	1.007276
"135445"	854.159276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2H"	2.014552
"571725"	1280.735276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2H"	2.014552
"1042715"	427.583276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H"	2.014552
"217179"	569.775276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H"	3.021828
"658208"	854.159276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+3H"	3.021828
"1177303"	285.391276	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3H"	3.021828
"438145"	1724.337823	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+NH4"	18.033823
"798410"	2577.489823	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+NH4"	18.033823
"1692187"	871.185823	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4"	18.033823
"341558"	862.6725495	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+NH4"	19.041099
"736169"	1289.2485495	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+NH4"	19.041099
"1489984"	436.0965495	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+NH4"	19.041099
"403199"	1729.293218	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na"	22.989218
"766022"	2582.445218	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na"	22.989218
"1613392"	876.141218	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na"	22.989218
"326346"	865.150247	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+Na"	23.996494
"716579"	1291.726247	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+Na"	23.996494
"1472587"	438.574247	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+Na"	23.996494
"1062552"	292.71859	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H+Na"	25.00377
"1268969"	886.185486	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+CH3OH+H"	33.033486
"389730"	1745.267158	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+K"	38.963158
"751819"	2598.419158	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+K"	38.963158
"1552413"	892.115158	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K"	38.963158
"304485"	873.137217	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+K"	39.970434
"706031"	1299.713217	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+K"	39.970434
"1457294"	446.561217	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+K"	39.970434
"244802"	1748.337826	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+H"	42.033826
"1225052"	895.185826	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+H"	42.033826
"1207955"	448.096551	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+2H"	43.041102
"204109"	1751.27516	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na-H"	44.97116
"643920"	2604.42716	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na-H"	44.97116
"1146336"	898.12316	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na-H"	44.97116
"188284"	876.141218	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na"	45.978436
"627482"	1302.717218	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na"	45.978436
"1129892"	449.565218	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na"	45.978436
"1414111"	300.045904	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+2Na"	46.985712
"1445371"	900.164746	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+HCOOH"	47.012746
"235544"	881.17424	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H2O+2H"	56.04448
"1524121"	914.21679	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+H"	61.06479
"423947"	884.128188	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na+K"	61.952376
"783971"	1310.704188	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na+K"	61.952376
"1679203"	457.552188	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+K"	61.952376
"258437"	1770.319768	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+Na"	64.015768
"1236614"	917.167768	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+Na"	64.015768
"1721126"	917.191293	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+HCOOH"	64.039293
"1185386"	307.373218	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3Na"	68.967654
"1659655"	922.146688	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+HCOOH"	68.994688
"163237"	1783.22304	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K-H"	76.91904
"607170"	2636.37504	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K-H"	76.91904
"1096058"	930.07104	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K-H"	76.91904
"153601"	892.115158	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K"	77.926316
"590611"	1318.691158	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K"	77.926316
"1075852"	465.539158	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K"	77.926316
"1104687"	932.085592	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K+H"	78.933592
"1336816"	932.173207	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+DMSO+H"	79.021207
"1006678"	936.212376	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+H"	83.060376
"1525784"	937.206008	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+Na+H"	84.054008
"991382"	468.609826	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+2H"	84.067652
"1589771"	938.120628	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+HCOOH"	84.968628
"1416892"	968.152138	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+CF3COOH"	115.000138
"1151190"	489.123101	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3ACN+2H"	125.094202
"1712490"	985.178685	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+CF3COOH"	132.026685
"1645143"	990.13408	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+CF3COOH"	136.98208
"1579700"	1006.10802	"C03561"	"(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+CF3COOH"	152.95602
"815539"	113.0477	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M"	0
"980325"	94.02931	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H2O-H"	-19.01839
"72942"	74.3578573333333	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-3H"	-3.021828
"507036"	112.040424	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-3H"	-3.021828
"888118"	36.6752906666667	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-3H"	-3.021828
"8879"	112.040424	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H"	-2.014552
"452813"	168.564274	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H"	-2.014552
"829523"	55.516574	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H"	-2.014552
"93655"	225.088124	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-H"	-1.007276
"530180"	338.135824	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-H"	-1.007276
"907981"	112.040424	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H"	-1.007276
"61991"	242.114671	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+NH4"	16.019271
"502163"	355.162371	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+NH4"	16.019271
"879684"	129.066971	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+NH4"	16.019271
"46038"	247.070066	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+Na"	20.974666
"486086"	360.117766	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+Na"	20.974666
"860606"	134.022366	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+Na"	20.974666
"1631961"	134.022366	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na-2H"	20.974666
"96827"	130.028763	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-H+Cl"	33.962126
"541859"	186.552613	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-H+Cl"	33.962126
"936468"	73.504913	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+Cl"	33.962126
"273930"	261.064802	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Cl"	34.969402
"664166"	374.112502	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Cl"	34.969402
"1280941"	148.017102	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl"	34.969402
"19124"	263.044006	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+K"	36.948606
"461967"	376.091706	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+K"	36.948606
"843048"	149.996306	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+K"	36.948606
"1559976"	149.996306	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K-2H"	36.948606
"948954"	158.045894	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+HCOOH"	44.998194
"372636"	271.093601	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+HCOOH-H"	44.998201
"357613"	285.109251	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Hac-H"	59.013851
"1499884"	172.061551	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Hac-H"	59.013851
"971442"	180.027851	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+NaCOOH"	66.980151
"115243"	148.017102	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Cl"	69.938804
"564283"	204.540952	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Cl"	69.938804
"1035270"	91.493252	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Cl"	69.938804
"1256312"	191.966585	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Br"	78.918885
"1318754"	194.022572	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+HCOOH"	80.974872
"1334551"	216.004529	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+NaCOOH"	102.956829
"922934"	226.033286	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+CF3COOH"	112.985586
"1297456"	262.009964	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+CF3COOH"	148.962264
"1376710"	78.035024	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H-2H2O"	-35.012676
"1394206"	96.045	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H-H2O"	-17.0027
"296082"	227.102676	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H"	1.007276
"689597"	340.150376	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H"	1.007276
"1360479"	114.054976	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H"	1.007276
"135555"	114.054976	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2H"	2.014552
"570742"	170.578826	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2H"	2.014552
"1042825"	57.531126	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2H"	2.014552
"216196"	76.3724093333333	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+3H"	3.021828
"658681"	114.054976	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+3H"	3.021828
"1176075"	38.6898426666667	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+3H"	3.021828
"437886"	244.129223	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+NH4"	18.033823
"798152"	357.176923	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+NH4"	18.033823
"1691933"	131.081523	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4"	18.033823
"340574"	122.5682495	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+NH4"	19.041099
"735186"	179.0920995	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+NH4"	19.041099
"1489002"	66.0443995	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+NH4"	19.041099
"404400"	249.084618	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Na"	22.989218
"766496"	362.132318	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Na"	22.989218
"1616784"	136.036918	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na"	22.989218
"328279"	125.045947	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+Na"	23.996494
"720335"	181.569797	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+Na"	23.996494
"1475614"	68.522097	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+Na"	23.996494
"1064849"	46.0171566666667	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2H+Na"	25.00377
"1270174"	146.081186	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+CH3OH+H"	33.033486
"390206"	265.058558	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+K"	38.963158
"750836"	378.106258	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+K"	38.963158
"1554712"	152.010858	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K"	38.963158
"305689"	133.032917	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+K"	39.970434
"706141"	189.556767	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+K"	39.970434
"1457040"	76.509067	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+K"	39.970434
"247829"	268.129226	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+ACN+H"	42.033826
"1225038"	155.081526	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+H"	42.033826
"1207337"	78.044401	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+2H"	43.041102
"203005"	271.06656	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Na-H"	44.97116
"643663"	384.11426	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Na-H"	44.97116
"1145838"	158.01886	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Na-H"	44.97116
"186939"	136.036918	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Na"	45.978436
"626861"	192.560768	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Na"	45.978436
"1128545"	79.513068	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Na"	45.978436
"1410610"	53.3444706666667	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+2Na"	46.985712
"1443454"	160.060446	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+HCOOH"	47.012746
"235604"	141.06994	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+3H2O+2H"	56.04448
"1522670"	174.11249	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+IsoProp+H"	61.06479
"423693"	144.023888	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Na+K"	61.952376
"783717"	200.547738	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Na+K"	61.952376
"1676764"	87.500038	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+K"	61.952376
"260737"	290.111168	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+ACN+Na"	64.015768
"1237089"	177.063468	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+Na"	64.015768
"1722694"	177.086993	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4+HCOOH"	64.039293
"1187319"	60.6717846666667	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+3Na"	68.967654
"1661225"	182.042388	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+HCOOH"	68.994688
"165534"	303.01444	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2K-H"	76.91904
"607646"	416.06214	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2K-H"	76.91904
"1094710"	189.96674	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K-H"	76.91904
"150067"	152.010858	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2K"	77.926316
"587805"	208.534708	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2K"	77.926316
"1078879"	95.487008	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K"	77.926316
"1101638"	191.981292	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K+H"	78.933592
"1341183"	192.068907	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+DMSO+H"	79.021207
"1006430"	196.108076	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2ACN+H"	83.060376
"1525163"	197.101708	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+IsoProp+Na+H"	84.054008
"990065"	98.557676	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2ACN+2H"	84.067652
"1587449"	198.016328	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K+HCOOH"	84.968628
"1417002"	228.047838	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+CF3COOH"	115.000138
"1150207"	119.070951	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+3ACN+2H"	125.094202
"1711789"	245.074385	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4+CF3COOH"	132.026685
"1638694"	250.02978	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+CF3COOH"	136.98208
"1573252"	266.00372	"C03564"	"1-Pyrroline-2-carboxylate;1-Pyrroline-2-carboxylic acid;delta1-Pyrroline 2-carboxylate;1-Pyrroline 2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K+CF3COOH"	152.95602
"813462"	272.0685	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M"	0
"986997"	253.05011	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"73054"	180.371724	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"504231"	271.061224	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"891509"	89.682224	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"11178"	271.061224	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"454018"	407.095474	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"829635"	135.026974	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"91702"	543.129724	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"532966"	815.198224	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"909551"	271.061224	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"59912"	560.156271	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"497651"	832.224771	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"879770"	288.087771	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"44810"	565.111666	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"486319"	837.180166	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"859623"	293.043166	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1623688"	293.043166	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"98032"	289.049563	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"543064"	425.083813	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"932201"	153.015313	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"271854"	579.106402	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"660993"	851.174902	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1277771"	307.037902	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"25798"	581.085606	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"462076"	853.154106	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"843159"	309.017106	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1567742"	309.017106	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"955628"	317.066694	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"376032"	589.135201	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"359550"	603.150851	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1505101"	331.082351	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"970458"	339.048651	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"123374"	307.037902	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"562573"	443.072152	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1035749"	171.003652	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1256298"	350.987385	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1317406"	353.043372	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1333815"	375.025329	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"922682"	385.054086	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1297566"	421.030764	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1377916"	237.055824	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1394318"	255.0658	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"293642"	545.144276	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"684241"	817.212776	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1363144"	273.075776	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"133479"	273.075776	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"575956"	409.110026	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1046218"	137.041526	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"215213"	182.386276	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"659155"	273.075776	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1175821"	91.696776	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"439291"	562.170823	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"800447"	834.239323	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1694233"	290.102323	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"344335"	281.5890495	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"735295"	417.6232995	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1486925"	145.5547995	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"402328"	567.126218	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"768434"	839.194718	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1616656"	295.057718	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"325844"	284.066747	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"722030"	420.100997	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1474999"	148.032497	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1066419"	99.02409	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1269919"	305.101986	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"392383"	583.100158	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"750583"	855.168658	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1554701"	311.031658	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"309814"	292.053717	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"705524"	428.087967	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1461212"	156.019467	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"250985"	586.170826	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1225029"	314.102326	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1208674"	157.554801	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"201791"	589.10816	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"641716"	861.17666	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1145218"	317.03966	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"186683"	295.057718	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"626610"	431.091968	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1129384"	159.023468	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1412179"	106.351404	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1444295"	319.081246	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"232166"	300.09074	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1523147"	333.13329	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"423321"	303.044688	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"783099"	439.078938	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1675782"	167.010438	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"266315"	608.152768	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1235012"	336.084268	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1722078"	336.107793	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1190712"	113.678718	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1656596"	341.063188	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"166373"	621.05604	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"606663"	893.12454	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1093726"	348.98754	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"145439"	311.031658	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"590103"	447.065908	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1078989"	174.997408	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1102722"	351.002092	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1344574"	351.089707	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1015292"	355.128876	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1526125"	356.122508	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"999866"	178.068076	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1597650"	357.037128	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1427685"	387.068638	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1161254"	198.581351	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1711900"	404.095185	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1638804"	409.05058	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1572268"	425.02452	"C03567"	"2-Hydroxydihydrodaidzein;2-Hydroxy-23-dihydrodaidzein"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"813572"	506.9862	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M"	0
"980545"	487.96781	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-H2O-H"	-19.01839
"73164"	336.983524	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M-3H"	-3.021828
"508350"	505.978924	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M-3H"	-3.021828
"888339"	167.988124	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-3H"	-3.021828
"12383"	505.978924	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M-2H"	-2.014552
"450849"	759.472024	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M-2H"	-2.014552
"832304"	252.485824	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-2H"	-2.014552
"93396"	1012.965124	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M-H"	-1.007276
"533197"	1519.951324	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M-H"	-1.007276
"909784"	505.978924	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-H"	-1.007276
"61118"	1029.991671	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M-2H+NH4"	16.019271
"500800"	1536.977871	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M-2H+NH4"	16.019271
"878976"	523.005471	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-2H+NH4"	16.019271
"46024"	1034.947066	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M-2H+Na"	20.974666
"484971"	1541.933266	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M-2H+Na"	20.974666
"862649"	527.960866	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-2H+Na"	20.974666
"1625987"	527.960866	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Na-2H"	20.974666
"101425"	523.967263	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M-H+Cl"	33.962126
"546456"	777.460363	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M-H+Cl"	33.962126
"933407"	270.474163	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-H+Cl"	33.962126
"280711"	1048.941802	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+Cl"	34.969402
"665478"	1555.928002	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+Cl"	34.969402
"1277881"	541.955602	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Cl"	34.969402
"29188"	1050.921006	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M-2H+K"	36.948606
"465466"	1557.907206	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M-2H+K"	36.948606
"845094"	543.934806	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-2H+K"	36.948606
"1570287"	543.934806	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+K-2H"	36.948606
"956470"	551.984394	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-H+HCOOH"	44.998194
"375177"	1058.970601	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+HCOOH-H"	44.998201
"357842"	1072.986251	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+Hac-H"	59.013851
"1507040"	566.000051	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Hac-H"	59.013851
"971660"	573.966351	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-H+NaCOOH"	66.980151
"124214"	541.955602	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+2Cl"	69.938804
"563049"	795.448702	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+2Cl"	69.938804
"1034402"	288.462502	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2Cl"	69.938804
"1254342"	585.905085	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Br"	78.918885
"1315695"	587.961072	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Cl+HCOOH"	80.974872
"1333198"	609.943029	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Cl+NaCOOH"	102.956829
"924252"	619.971786	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M-H+CF3COOH"	112.985586
"1301323"	655.948464	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Cl+CF3COOH"	148.962264
"1379849"	471.973524	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H-2H2O"	-35.012676
"1394064"	489.9835	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H-H2O"	-17.0027
"297035"	1014.979676	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+H"	1.007276
"690187"	1521.965876	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+H"	1.007276
"1363986"	507.993476	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H"	1.007276
"138693"	507.993476	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+2H"	2.014552
"578984"	761.486576	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+2H"	2.014552
"1051067"	254.500376	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2H"	2.014552
"210948"	338.998076	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+3H"	3.021828
"655977"	507.993476	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+3H"	3.021828
"1177388"	170.002676	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+3H"	3.021828
"439200"	1032.006223	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+NH4"	18.033823
"801330"	1538.992423	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+NH4"	18.033823
"1695434"	525.020023	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+NH4"	18.033823
"343352"	516.5067495	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+H+NH4"	19.041099
"734311"	769.9998495	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+H+NH4"	19.041099
"1488128"	263.0136495	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H+NH4"	19.041099
"402435"	1036.961618	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+Na"	22.989218
"763437"	1543.947818	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+Na"	22.989218
"1617862"	529.975418	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Na"	22.989218
"328261"	518.984447	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+H+Na"	23.996494
"720557"	772.477547	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+H+Na"	23.996494
"1473285"	265.491347	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H+Na"	23.996494
"1064344"	177.32999	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2H+Na"	25.00377
"1269300"	540.019686	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+CH3OH+H"	33.033486
"390062"	1052.935558	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+K"	38.963158
"746682"	1559.921758	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+K"	38.963158
"1547644"	545.949358	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+K"	38.963158
"305913"	526.971417	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+H+K"	39.970434
"705632"	780.464517	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+H+K"	39.970434
"1461039"	273.478317	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H+K"	39.970434
"249519"	1056.006226	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+ACN+H"	42.033826
"1223323"	549.020026	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+ACN+H"	42.033826
"1207208"	275.013651	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+ACN+2H"	43.041102
"201899"	1058.94356	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+2Na-H"	44.97116
"642192"	1565.92976	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+2Na-H"	44.97116
"1144604"	551.95736	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2Na-H"	44.97116
"186436"	529.975418	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+2Na"	45.978436
"626361"	783.468518	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+2Na"	45.978436
"1130232"	276.482318	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2Na"	45.978436
"1412663"	184.657304	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H+2Na"	46.985712
"1444050"	553.998946	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H+HCOOH"	47.012746
"235204"	535.00844	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+3H2O+2H"	56.04448
"1522169"	568.05099	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+IsoProp+H"	61.06479
"422220"	537.962388	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+Na+K"	61.952376
"783945"	791.455488	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+Na+K"	61.952376
"1677723"	284.469288	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Na+K"	61.952376
"264607"	1077.988168	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+ACN+Na"	64.015768
"1239500"	571.001968	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+ACN+Na"	64.015768
"1723647"	571.025493	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+NH4+HCOOH"	64.039293
"1188272"	191.984618	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+3Na"	68.967654
"1658530"	575.980888	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Na+HCOOH"	68.994688
"169400"	1090.89144	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+2K-H"	76.91904
"607138"	1597.87764	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+2K-H"	76.91904
"1089828"	583.90524	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2K-H"	76.91904
"153934"	545.949358	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"2M+2K"	77.926316
"592768"	799.442458	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"3M+2K"	77.926316
"1079100"	292.456258	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2K"	77.926316
"1102833"	585.919792	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2K+H"	78.933592
"1344322"	586.007407	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+DMSO+H"	79.021207
"1015402"	590.046576	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2ACN+H"	83.060376
"1525871"	591.040208	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+IsoProp+Na+H"	84.054008
"999976"	295.526926	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+2ACN+2H"	84.067652
"1596667"	591.954828	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+K+HCOOH"	84.968628
"1420140"	621.986338	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+H+CF3COOH"	115.000138
"1158084"	316.040201	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+3ACN+2H"	125.094202
"1708728"	639.012885	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+NH4+CF3COOH"	132.026685
"1647660"	643.96828	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+Na+CF3COOH"	136.98208
"1571649"	659.94222	"C03568"	"2-Phosphoadenylylsulfate"	"C10H15N5O13P2S"	"506.9862"	"M+K+CF3COOH"	152.95602
"810402"	202.063	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M"	0
"977375"	183.04461	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-H2O-H"	-19.01839
"73274"	133.701390666667	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M-3H"	-3.021828
"507367"	201.055724	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M-3H"	-3.021828
"885169"	66.3470573333333	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-3H"	-3.021828
"10306"	201.055724	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M-2H"	-2.014552
"448772"	302.087224	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M-2H"	-2.014552
"832789"	100.024224	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-2H"	-2.014552
"93824"	403.118724	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M-H"	-1.007276
"534033"	605.181724	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M-H"	-1.007276
"911263"	201.055724	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-H"	-1.007276
"60498"	420.145271	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M-2H+NH4"	16.019271
"500058"	622.208271	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M-2H+NH4"	16.019271
"879736"	218.082271	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-2H+NH4"	16.019271
"45394"	425.100666	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M-2H+Na"	20.974666
"486869"	627.163666	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M-2H+Na"	20.974666
"864186"	223.037666	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-2H+Na"	20.974666
"1626097"	223.037666	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Na-2H"	20.974666
"100441"	219.044063	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M-H+Cl"	33.962126
"547295"	320.075563	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M-H+Cl"	33.962126
"933517"	118.012563	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-H+Cl"	33.962126
"281551"	439.095402	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+Cl"	34.969402
"664495"	641.158402	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+Cl"	34.969402
"1277991"	237.032402	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Cl"	34.969402
"30392"	441.074606	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M-2H+K"	36.948606
"465577"	643.137606	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M-2H+K"	36.948606
"844474"	239.011606	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-2H+K"	36.948606
"1570759"	239.011606	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+K-2H"	36.948606
"956942"	247.061194	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-H+HCOOH"	44.998194
"370785"	449.124201	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+HCOOH-H"	44.998201
"352482"	463.139851	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+Hac-H"	59.013851
"1504594"	261.076851	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Hac-H"	59.013851
"969948"	269.043151	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-H+NaCOOH"	66.980151
"123962"	237.032402	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+2Cl"	69.938804
"559511"	338.063902	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+2Cl"	69.938804
"1033419"	136.000902	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2Cl"	69.938804
"1252997"	280.981885	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Br"	78.918885
"1316536"	283.037872	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Cl+HCOOH"	80.974872
"1331486"	305.019829	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Cl+NaCOOH"	102.956829
"923638"	315.048586	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M-H+CF3COOH"	112.985586
"1299610"	351.025264	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Cl+CF3COOH"	148.962264
"1379959"	167.050324	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H-2H2O"	-35.012676
"1395635"	185.0603	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H-H2O"	-17.0027
"295688"	405.133276	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+H"	1.007276
"682276"	607.196276	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+H"	1.007276
"1361539"	203.070276	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H"	1.007276
"134794"	203.070276	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+2H"	2.014552
"577639"	304.101776	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+2H"	2.014552
"1050448"	102.038776	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2H"	2.014552
"208141"	135.715942666667	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+3H"	3.021828
"651712"	203.070276	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+3H"	3.021828
"1170931"	68.3616093333333	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+3H"	3.021828
"439309"	422.159823	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+NH4"	18.033823
"799573"	624.222823	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+NH4"	18.033823
"1695546"	220.096823	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+NH4"	18.033823
"343090"	211.5835495	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+H+NH4"	19.041099
"737947"	312.6150495	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+H+NH4"	19.041099
"1487145"	110.5520495	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H+NH4"	19.041099
"399264"	427.115218	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+Na"	22.989218
"762454"	629.178218	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+Na"	22.989218
"1617117"	225.052218	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Na"	22.989218
"328976"	214.061247	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+H+Na"	23.996494
"722491"	315.092747	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+H+Na"	23.996494
"1472302"	113.029747	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H+Na"	23.996494
"1065548"	75.6889233333333	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2H+Na"	25.00377
"1268317"	235.096486	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+CH3OH+H"	33.033486
"390902"	443.089158	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+K"	38.963158
"748981"	645.152158	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+K"	38.963158
"1551034"	241.026158	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+K"	38.963158
"307116"	222.048217	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+H+K"	39.970434
"705375"	323.079717	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+H+K"	39.970434
"1461138"	121.016717	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H+K"	39.970434
"250599"	446.159826	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+ACN+H"	42.033826
"1225092"	244.096826	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+ACN+H"	42.033826
"1209382"	122.552051	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+ACN+2H"	43.041102
"202374"	449.09716	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+2Na-H"	44.97116
"642178"	651.16016	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+2Na-H"	44.97116
"1143980"	247.03416	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2Na-H"	44.97116
"186423"	225.052218	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+2Na"	45.978436
"626831"	326.083718	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+2Na"	45.978436
"1129611"	124.020718	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2Na"	45.978436
"1412645"	83.0162373333333	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H+2Na"	46.985712
"1443428"	249.075746	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H+HCOOH"	47.012746
"234217"	230.08524	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+3H2O+2H"	56.04448
"1521548"	263.12779	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+IsoProp+H"	61.06479
"422330"	233.039188	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+Na+K"	61.952376
"785148"	334.070688	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+Na+K"	61.952376
"1677463"	132.007688	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Na+K"	61.952376
"264354"	468.141768	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+ACN+Na"	64.015768
"1238151"	266.078768	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+ACN+Na"	64.015768
"1718289"	266.102293	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+NH4+HCOOH"	64.039293
"1184738"	90.3435513333333	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+3Na"	68.967654
"1657909"	271.057688	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Na+HCOOH"	68.994688
"158573"	481.04504	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+2K-H"	76.91904
"604332"	683.10804	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+2K-H"	76.91904
"1088844"	278.98204	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2K-H"	76.91904
"153316"	241.026158	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"2M+2K"	77.926316
"593605"	342.057658	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"3M+2K"	77.926316
"1076295"	139.994658	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2K"	77.926316
"1101120"	280.996592	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2K+H"	78.933592
"1339329"	281.084207	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+DMSO+H"	79.021207
"1011140"	285.123376	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2ACN+H"	83.060376
"1525740"	286.117008	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+IsoProp+Na+H"	84.054008
"994619"	143.065326	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+2ACN+2H"	84.067652
"1592403"	287.031628	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+K+HCOOH"	84.968628
"1425720"	317.063138	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+H+CF3COOH"	115.000138
"1160382"	163.578601	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+3ACN+2H"	125.094202
"1709932"	334.089685	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+NH4+CF3COOH"	132.026685
"1642301"	339.04508	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+Na+CF3COOH"	136.98208
"1571637"	355.01902	"C03569"	"223-Trihydroxybiphenyl"	"C12H10O3"	"202.063"	"M+K+CF3COOH"	152.95602
"810512"	179.0794	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M"	0
"977485"	160.06101	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"73384"	118.378990666667	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"508570"	178.072124	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"886372"	58.6858573333333	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"10416"	178.072124	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"448882"	267.611824	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"832771"	88.532424	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"94212"	357.151524	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"534137"	536.230924	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"909519"	178.072124	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"62432"	374.178071	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"500168"	553.257471	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"878943"	195.098671	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"46236"	379.133466	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"486405"	558.212866	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"864168"	200.054066	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1629486"	200.054066	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"102740"	196.060463	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"543394"	285.600163	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"930347"	106.520763	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"281298"	393.128202	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"667885"	572.207602	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1277007"	214.048802	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"30137"	395.107406	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"465687"	574.186806	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"845677"	216.028006	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1569897"	216.028006	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"955960"	224.077594	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"374175"	403.157001	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"352592"	417.172651	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1503610"	238.093251	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"971151"	246.059551	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"125041"	214.048802	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"561807"	303.588502	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1034620"	124.509102	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1252374"	257.998285	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1318102"	260.054272	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1333783"	282.036229	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"925205"	292.064986	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1300813"	328.041664	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1379705"	144.066724	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1392461"	162.0767	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"295431"	359.166076	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"682386"	538.245476	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1362013"	180.086676	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"135632"	180.086676	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"576654"	269.626376	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1048734"	90.546976	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"210438"	120.393542666667	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"651821"	180.086676	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1175416"	60.7004093333333	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"438933"	376.192623	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"798590"	555.272023	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1695653"	197.113223	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"342838"	188.5999495	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"733435"	278.1396495	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1491267"	99.0602495	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"405937"	381.148018	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"766942"	560.227418	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1616134"	202.068618	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"327265"	191.077647	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"719685"	280.617347	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1468038"	101.537947	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1063470"	68.0277233333333	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1265148"	212.112886	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"384816"	397.121958	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"744717"	576.201358	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1547864"	218.042558	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"308687"	199.064617	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"704028"	288.604317	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1460037"	109.524917	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"250707"	400.192626	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1224148"	221.113226	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1207791"	111.060251	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"202120"	403.12996	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"642770"	582.20936	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1144456"	224.05056	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"187020"	202.068618	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"626578"	291.608318	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1130082"	112.528918	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1412147"	75.3550373333333	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1444993"	226.092146	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"235055"	207.10164	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1523441"	240.14419	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"423534"	210.055588	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"784528"	299.595288	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1678668"	120.515888	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"264828"	422.174568	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1238264"	243.095168	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1723867"	243.118693	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1188128"	82.6823513333333	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1662394"	248.074088	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"161600"	435.07784	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"604443"	614.15724	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1090048"	255.99844	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"153427"	218.042558	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"596268"	307.582258	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1076405"	128.502858	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1103053"	258.012992	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1341625"	258.100607	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1011250"	262.139776	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1525002"	263.133408	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"994729"	131.573526	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1592513"	264.048028	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1426923"	294.079538	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1161950"	152.086801	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1712109"	311.106085	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1642411"	316.06148	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1572597"	332.03542	"C03570"	"D-Mannosamine;2-Amino-2-deoxy-D-mannose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"810622"	117.079	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M"	0
"977595"	98.06061	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"68026"	77.0453906666667	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"503332"	116.071724	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"885389"	38.0190573333333	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"6151"	116.071724	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"448992"	174.611224	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"832435"	57.532224	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"93726"	233.150724	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"533976"	350.229724	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"910476"	116.071724	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"61692"	250.177271	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"498820"	367.256271	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"879174"	133.098271	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"44157"	255.132666	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"486273"	372.211666	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"863345"	138.053666	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1629596"	138.053666	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"102850"	134.060063	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"545691"	192.599563	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"937018"	75.520563	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"277762"	269.127402	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"661435"	386.206402	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1273227"	152.048402	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"26237"	271.106606	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"463611"	388.185606	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"842507"	154.027606	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1565995"	154.027606	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"957650"	162.077194	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"376111"	279.156201	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"360722"	293.171851	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1505907"	176.092851	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"972233"	184.059151	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"125475"	152.048402	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"560823"	210.587902	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1036552"	93.508902	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1252484"	195.997885	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1318212"	198.053872	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1332800"	220.035829	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"925681"	230.064586	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1300923"	266.041264	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1380179"	82.066324	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1391478"	100.0763	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"295905"	235.165276	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"684682"	352.244276	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1363216"	118.086276	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"135742"	118.086276	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"576764"	176.625776	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1048844"	59.546776	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"211277"	79.0599426666667	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"648651"	118.086276	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1172246"	40.0336093333333	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"435518"	252.191823	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"794325"	369.270823	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1694309"	135.112823	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"342584"	126.5995495	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"733181"	185.1390495	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1489559"	68.0600495	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"404955"	257.147218	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"765958"	374.226218	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1611870"	140.068218	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"320813"	129.077247	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"714693"	187.616747	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1468514"	70.537747	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1059206"	47.3609233333333	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1264165"	150.112486	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"384926"	273.121158	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"745922"	390.200158	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1549797"	156.042158	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"312078"	137.064217	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"706689"	195.603717	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1460147"	78.524717	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"250334"	276.191826	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1220366"	159.112826	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1208870"	80.060051	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"202224"	279.12916	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"642761"	396.20816	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1144929"	162.05016	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"185670"	140.068218	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"625594"	198.607718	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1128001"	81.528718	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1411162"	54.6882373333333	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1444618"	164.091746	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"234436"	145.10124	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1522130"	178.14379	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"422546"	148.055188	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"782445"	206.594688	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1679142"	89.515688	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"262743"	298.173768	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1237274"	181.094768	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1726164"	181.118293	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1189332"	62.0155513333333	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1657039"	186.073688	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"163899"	311.07704	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"605647"	428.15604	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1098178"	193.99804	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"155359"	156.042158	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"594918"	214.581658	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1077608"	97.502658	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1103163"	196.012592	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1342828"	196.100207	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1012453"	200.139376	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1528392"	201.133008	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"994839"	100.573326	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1592623"	202.047628	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1427032"	232.079138	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1161818"	121.086601	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1711977"	249.105685	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1642521"	254.06108	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1573800"	270.03502	"C03571"	"2-Amino-2-methylbutanoate"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"810732"	175.9876	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M"	0
"977705"	156.96921	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-H2O-H"	-19.01839
"67407"	116.317790666667	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M-3H"	-3.021828
"504415"	174.980324	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M-3H"	-3.021828
"882217"	57.6552573333333	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-3H"	-3.021828
"6261"	174.980324	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M-2H"	-2.014552
"450195"	262.974124	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M-2H"	-2.014552
"832010"	86.986524	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-2H"	-2.014552
"93104"	350.967924	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M-H"	-1.007276
"533389"	526.955524	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M-H"	-1.007276
"910587"	174.980324	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-H"	-1.007276
"59735"	367.994471	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M-2H+NH4"	16.019271
"498201"	543.982071	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M-2H+NH4"	16.019271
"875637"	192.006871	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-2H+NH4"	16.019271
"45724"	372.949866	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M-2H+Na"	20.974666
"483464"	548.937466	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M-2H+Na"	20.974666
"856893"	196.962266	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-2H+Na"	20.974666
"1626423"	196.962266	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Na-2H"	20.974666
"95303"	192.968663	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M-H+Cl"	33.962126
"535956"	280.962463	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M-H+Cl"	33.962126
"933846"	104.974863	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-H+Cl"	33.962126
"274591"	386.944602	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+Cl"	34.969402
"668103"	562.932202	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+Cl"	34.969402
"1272915"	210.957002	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Cl"	34.969402
"19784"	388.923806	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M-2H+K"	36.948606
"464815"	564.911406	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M-2H+K"	36.948606
"837149"	212.936206	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-2H+K"	36.948606
"1558450"	212.936206	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+K-2H"	36.948606
"956909"	220.985794	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-H+HCOOH"	44.998194
"375125"	396.973401	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+HCOOH-H"	44.998201
"357186"	410.989051	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+Hac-H"	59.013851
"1502737"	235.001451	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Hac-H"	59.013851
"969184"	242.967751	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-H+NaCOOH"	66.980151
"119186"	210.957002	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+2Cl"	69.938804
"554372"	298.950802	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+2Cl"	69.938804
"1028639"	122.963202	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2Cl"	69.938804
"1253686"	254.906485	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Br"	78.918885
"1316136"	256.962472	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Cl+HCOOH"	80.974872
"1335569"	278.944429	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Cl+NaCOOH"	102.956829
"926397"	288.973186	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M-H+CF3COOH"	112.985586
"1299210"	324.949864	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Cl+CF3COOH"	148.962264
"1377373"	140.974924	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H-2H2O"	-35.012676
"1391588"	158.9849	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H-H2O"	-17.0027
"296015"	352.982476	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+H"	1.007276
"684792"	528.970076	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+H"	1.007276
"1363326"	176.994876	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H"	1.007276
"135123"	176.994876	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+2H"	2.014552
"576145"	264.988676	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+2H"	2.014552
"1048225"	89.001076	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2H"	2.014552
"212480"	118.332342666667	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+3H"	3.021828
"648761"	176.994876	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+3H"	3.021828
"1172356"	59.6698093333333	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+3H"	3.021828
"435264"	370.009023	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+NH4"	18.033823
"795528"	545.996623	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+NH4"	18.033823
"1694782"	194.021423	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+NH4"	18.033823
"342694"	185.5081495	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+H+NH4"	19.041099
"733655"	273.5019495	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+H+NH4"	19.041099
"1491127"	97.5143495	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H+NH4"	19.041099
"405429"	374.964418	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+Na"	22.989218
"766068"	550.952018	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+Na"	22.989218
"1611980"	198.976818	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Na"	22.989218
"319830"	187.985847	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+H+Na"	23.996494
"715531"	275.979647	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+H+Na"	23.996494
"1469352"	99.992047	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H+Na"	23.996494
"1058223"	66.9971233333333	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2H+Na"	25.00377
"1264275"	209.021086	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+CH3OH+H"	33.033486
"386859"	390.938358	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+K"	38.963158
"743845"	566.925958	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+K"	38.963158
"1549907"	214.950758	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+K"	38.963158
"308908"	195.972817	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+H+K"	39.970434
"705704"	283.966617	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+H+K"	39.970434
"1458067"	107.979017	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H+K"	39.970434
"245583"	394.009026	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+ACN+H"	42.033826
"1221569"	218.021426	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+ACN+H"	42.033826
"1206914"	109.514351	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+ACN+2H"	43.041102
"201242"	396.94636	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+2Na-H"	44.97116
"639711"	572.93396	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+2Na-H"	44.97116
"1142852"	220.95876	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2Na-H"	44.97116
"183954"	198.976818	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+2Na"	45.978436
"624611"	286.970618	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+2Na"	45.978436
"1126650"	110.983018	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2Na"	45.978436
"1409449"	74.3244373333333	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H+2Na"	46.985712
"1440107"	223.000346	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H+HCOOH"	47.012746
"232721"	204.00984	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+3H2O+2H"	56.04448
"1521146"	237.05239	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+IsoProp+H"	61.06479
"421198"	206.963788	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+Na+K"	61.952376
"782556"	294.957588	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+Na+K"	61.952376
"1677426"	118.969988	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Na+K"	61.952376
"261029"	415.990968	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+ACN+Na"	64.015768
"1234104"	240.003368	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+ACN+Na"	64.015768
"1718617"	240.026893	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+NH4+HCOOH"	64.039293
"1187253"	81.6517513333333	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+3Na"	68.967654
"1657147"	244.982288	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Na+HCOOH"	68.994688
"161822"	428.89424	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+2K-H"	76.91904
"604662"	604.88184	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+2K-H"	76.91904
"1093546"	252.90664	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2K-H"	76.91904
"151459"	214.950758	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"2M+2K"	77.926316
"586642"	302.944558	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"3M+2K"	77.926316
"1074437"	126.956958	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2K"	77.926316
"1104367"	254.921192	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2K+H"	78.933592
"1342938"	255.008807	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+DMSO+H"	79.021207
"1008189"	259.047976	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2ACN+H"	83.060376
"1527408"	260.041608	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+IsoProp+Na+H"	84.054008
"996042"	130.027626	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+2ACN+2H"	84.067652
"1594919"	260.956228	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+K+HCOOH"	84.968628
"1420581"	290.987738	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+H+CF3COOH"	115.000138
"1157431"	150.540901	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+3ACN+2H"	125.094202
"1701514"	308.014285	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+NH4+CF3COOH"	132.026685
"1639351"	312.96968	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+Na+CF3COOH"	136.98208
"1572818"	328.94362	"C03572"	"2-Chloro-ciscis-muconate"	"C6H5ClO4"	"175.9876"	"M+K+CF3COOH"	152.95602
"802215"	149.0477	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M"	0
"977815"	130.02931	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-H2O-H"	-19.01839
"63871"	98.3578573333333	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M-3H"	-3.021828
"505618"	148.040424	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M-3H"	-3.021828
"885607"	48.6752906666667	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-3H"	-3.021828
"4179"	148.040424	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M-2H"	-2.014552
"441186"	222.564274	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M-2H"	-2.014552
"828109"	73.516574	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-2H"	-2.014552
"93206"	297.088124	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M-H"	-1.007276
"532772"	446.135824	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M-H"	-1.007276
"910575"	148.040424	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-H"	-1.007276
"57658"	314.114671	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M-2H+NH4"	16.019271
"500499"	463.162371	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M-2H+NH4"	16.019271
"877205"	165.066971	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-2H+NH4"	16.019271
"45107"	319.070066	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M-2H+Na"	20.974666
"483574"	468.117766	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M-2H+Na"	20.974666
"858095"	170.022366	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-2H+Na"	20.974666
"1619486"	170.022366	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Na-2H"	20.974666
"95413"	166.028763	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M-H+Cl"	33.962126
"534887"	240.552613	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M-H+Cl"	33.962126
"928484"	91.504913	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-H+Cl"	33.962126
"272512"	333.064802	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+Cl"	34.969402
"661285"	482.112502	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+Cl"	34.969402
"1274785"	184.017102	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Cl"	34.969402
"16613"	335.044006	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M-2H+K"	36.948606
"464925"	484.091706	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M-2H+K"	36.948606
"838352"	185.996306	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-2H+K"	36.948606
"1566215"	185.996306	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+K-2H"	36.948606
"951911"	194.045894	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-H+HCOOH"	44.998194
"375230"	343.093601	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+HCOOH-H"	44.998201
"360209"	357.109251	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+Hac-H"	59.013851
"1506125"	208.061551	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Hac-H"	59.013851
"970386"	216.027851	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-H+NaCOOH"	66.980151
"119295"	184.017102	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+2Cl"	69.938804
"559949"	258.540952	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+2Cl"	69.938804
"1032028"	109.493252	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2Cl"	69.938804
"1249420"	227.966585	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Br"	78.918885
"1311141"	230.022572	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Cl+HCOOH"	80.974872
"1328274"	252.004529	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Cl+NaCOOH"	102.956829
"923342"	262.033286	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M-H+CF3COOH"	112.985586
"1299321"	298.009964	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Cl+CF3COOH"	148.962264
"1377483"	114.035024	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H-2H2O"	-35.012676
"1392793"	132.045	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H-H2O"	-17.0027
"296125"	299.102676	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+H"	1.007276
"688182"	448.150376	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+H"	1.007276
"1366927"	150.054976	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H"	1.007276
"138513"	150.054976	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+2H"	2.014552
"571512"	224.578826	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+2H"	2.014552
"1041774"	75.531126	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2H"	2.014552
"214417"	100.372409333333	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+3H"	3.021828
"654706"	150.054976	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+3H"	3.021828
"1174289"	50.6898426666667	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+3H"	3.021828
"436468"	316.129223	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+NH4"	18.033823
"796732"	465.176923	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+NH4"	18.033823
"1690876"	167.081523	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+NH4"	18.033823
"338063"	158.5682495	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+H+NH4"	19.041099
"734498"	233.0920995	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+H+NH4"	19.041099
"1490507"	84.0443995	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H+NH4"	19.041099
"401904"	321.084618	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+Na"	22.989218
"763992"	470.132318	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+Na"	22.989218
"1613183"	172.036918	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Na"	22.989218
"320304"	161.045947	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+H+Na"	23.996494
"713089"	235.569797	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+H+Na"	23.996494
"1472742"	86.522097	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H+Na"	23.996494
"1062706"	58.0171566666667	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2H+Na"	25.00377
"1266572"	182.081186	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+CH3OH+H"	33.033486
"382958"	337.058558	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+K"	38.963158
"743955"	486.106258	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+K"	38.963158
"1544187"	188.010858	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+K"	38.963158
"309747"	169.032917	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+H+K"	39.970434
"703992"	243.556767	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+H+K"	39.970434
"1458182"	94.509067	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H+K"	39.970434
"246785"	340.129226	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+ACN+H"	42.033826
"1222774"	191.081526	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+ACN+H"	42.033826
"1205931"	96.044401	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+ACN+2H"	43.041102
"201228"	343.06656	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+2Na-H"	44.97116
"640913"	492.11426	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+2Na-H"	44.97116
"1143689"	194.01886	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2Na-H"	44.97116
"186864"	172.036918	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+2Na"	45.978436
"626179"	246.560768	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+2Na"	45.978436
"1129198"	97.513068	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2Na"	45.978436
"1411378"	65.3444706666667	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H+2Na"	46.985712
"1442767"	196.060446	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H+HCOOH"	47.012746
"233191"	177.06994	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+3H2O+2H"	56.04448
"1522593"	210.11249	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+IsoProp+H"	61.06479
"423131"	180.023888	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+Na+K"	61.952376
"784853"	254.547738	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+Na+K"	61.952376
"1674984"	105.500038	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Na+K"	61.952376
"261505"	362.111168	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+ACN+Na"	64.015768
"1237494"	213.063468	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+ACN+Na"	64.015768
"1723100"	213.086993	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+NH4+HCOOH"	64.039293
"1187362"	72.6717846666667	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+3Na"	68.967654
"1658350"	218.042388	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Na+HCOOH"	68.994688
"165210"	375.01444	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+2K-H"	76.91904
"609144"	524.06214	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+2K-H"	76.91904
"1093656"	225.96674	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2K-H"	76.91904
"150473"	188.010858	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"2M+2K"	77.926316
"591128"	262.534708	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"3M+2K"	77.926316
"1076733"	113.487008	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2K"	77.926316
"1107755"	227.981292	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2K+H"	78.933592
"1339766"	228.068907	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+DMSO+H"	79.021207
"1008295"	232.108076	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2ACN+H"	83.060376
"1530795"	233.101708	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+IsoProp+Na+H"	84.054008
"999432"	116.557676	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+2ACN+2H"	84.067652
"1598310"	234.016328	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+K+HCOOH"	84.968628
"1422875"	264.047838	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+H+CF3COOH"	115.000138
"1149881"	137.070951	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+3ACN+2H"	125.094202
"1701624"	281.074385	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+NH4+CF3COOH"	132.026685
"1634483"	286.02978	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+Na+CF3COOH"	136.98208
"1571593"	302.00372	"C03574"	"2-Formylaminobenzaldehyde"	"C8H7NO2"	"149.0477"	"M+K+CF3COOH"	152.95602
"804392"	233.9542	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M"	0
"981205"	214.93581	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-H2O-H"	-19.01839
"67261"	154.962190666667	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M-3H"	-3.021828
"511194"	232.946924	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M-3H"	-3.021828
"884621"	76.9774573333333	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-3H"	-3.021828
"7571"	232.946924	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M-2H"	-2.014552
"442024"	349.924024	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M-2H"	-2.014552
"831909"	115.969824	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-2H"	-2.014552
"93564"	466.901124	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M-H"	-1.007276
"533248"	700.855324	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M-H"	-1.007276
"910806"	232.946924	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-H"	-1.007276
"59954"	483.927671	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M-2H+NH4"	16.019271
"502067"	717.881871	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M-2H+NH4"	16.019271
"878046"	249.973471	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-2H+NH4"	16.019271
"44125"	488.883066	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M-2H+Na"	20.974666
"482591"	722.837266	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M-2H+Na"	20.974666
"854925"	254.928866	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-2H+Na"	20.974666
"1619598"	254.928866	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Na-2H"	20.974666
"96616"	250.935263	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M-H+Cl"	33.962126
"538363"	367.912363	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M-H+Cl"	33.962126
"930782"	133.958163	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-H+Cl"	33.962126
"275903"	502.877802	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+Cl"	34.969402
"661393"	736.832002	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+Cl"	34.969402
"1274896"	268.923602	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Cl"	34.969402
"17088"	504.857006	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M-2H+K"	36.948606
"465035"	738.811206	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M-2H+K"	36.948606
"837002"	270.902806	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-2H+K"	36.948606
"1566325"	270.902806	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+K-2H"	36.948606
"953114"	278.952394	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-H+HCOOH"	44.998194
"375340"	512.906601	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+HCOOH-H"	44.998201
"360807"	526.922251	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+Hac-H"	59.013851
"1508334"	292.968051	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Hac-H"	59.013851
"973658"	300.934351	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-H+NaCOOH"	66.980151
"122684"	268.923602	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+2Cl"	69.938804
"560059"	385.900702	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+2Cl"	69.938804
"1032138"	151.946502	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2Cl"	69.938804
"1254998"	312.873085	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Br"	78.918885
"1318181"	314.929072	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Cl+HCOOH"	80.974872
"1334218"	336.911029	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Cl+NaCOOH"	102.956829
"920535"	346.939786	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M-H+CF3COOH"	112.985586
"1298338"	382.916464	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Cl+CF3COOH"	148.962264
"1378687"	198.941524	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H-2H2O"	-35.012676
"1393633"	216.9515	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H-H2O"	-17.0027
"294048"	468.915676	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+H"	1.007276
"685013"	702.869876	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+H"	1.007276
"1365738"	234.961476	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H"	1.007276
"137166"	234.961476	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+2H"	2.014552
"571623"	351.938576	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+2H"	2.014552
"1044796"	117.984376	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2H"	2.014552
"212698"	156.976742666667	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+3H"	3.021828
"656272"	234.961476	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+3H"	3.021828
"1175491"	78.9920093333333	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+3H"	3.021828
"437308"	485.942223	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+NH4"	18.033823
"799641"	719.896423	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+NH4"	18.033823
"1690985"	251.988023	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+NH4"	18.033823
"337080"	243.4747495	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+H+NH4"	19.041099
"736070"	360.4518495	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+H+NH4"	19.041099
"1490981"	126.4976495	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H+NH4"	19.041099
"402013"	490.897618	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+Na"	22.989218
"764102"	724.851818	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+Na"	22.989218
"1613294"	256.943418	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Na"	22.989218
"322237"	245.952447	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+H+Na"	23.996494
"712471"	362.929547	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+H+Na"	23.996494
"1471759"	128.975347	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H+Na"	23.996494
"1065004"	86.3193233333333	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2H+Na"	25.00377
"1271056"	266.987686	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+CH3OH+H"	33.033486
"389631"	506.871558	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+K"	38.963158
"752086"	740.825758	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+K"	38.963158
"1555234"	272.917358	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+K"	38.963158
"309857"	253.939417	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+H+K"	39.970434
"704102"	370.916517	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+H+K"	39.970434
"1459022"	136.962317	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H+K"	39.970434
"246895"	509.942226	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+ACN+H"	42.033826
"1220698"	275.988026	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+ACN+H"	42.033826
"1206406"	138.497651	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+ACN+2H"	43.041102
"200366"	512.87956	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+2Na-H"	44.97116
"642359"	746.83376	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+2Na-H"	44.97116
"1142705"	278.92536	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2Na-H"	44.97116
"186488"	256.943418	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+2Na"	45.978436
"625924"	373.920518	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+2Na"	45.978436
"1129792"	139.966318	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2Na"	45.978436
"1411489"	93.6466373333333	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H+2Na"	46.985712
"1444095"	280.966946	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H+HCOOH"	47.012746
"233666"	261.97644	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+3H2O+2H"	56.04448
"1522098"	295.01899	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+IsoProp+H"	61.06479
"421909"	264.930388	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+Na+K"	61.952376
"783872"	381.907488	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+Na+K"	61.952376
"1677281"	147.953288	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Na+K"	61.952376
"262710"	531.924168	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+ACN+Na"	64.015768
"1238336"	297.969968	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+ACN+Na"	64.015768
"1724304"	297.993493	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+NH4+HCOOH"	64.039293
"1189660"	100.973951333333	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+3Na"	68.967654
"1662834"	302.948888	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Na+HCOOH"	68.994688
"168601"	544.82744	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+2K-H"	76.91904
"612494"	778.78164	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+2K-H"	76.91904
"1098018"	310.87324	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2K-H"	76.91904
"152769"	272.917358	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"2M+2K"	77.926316
"591236"	389.894458	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"3M+2K"	77.926316
"1076842"	155.940258	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2K"	77.926316
"1102516"	312.887792	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2K+H"	78.933592
"1337320"	312.975407	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+DMSO+H"	79.021207
"1008767"	317.014576	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2ACN+H"	83.060376
"1527986"	318.008208	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+IsoProp+Na+H"	84.054008
"997351"	159.010926	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+2ACN+2H"	84.067652
"1594042"	318.922828	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+K+HCOOH"	84.968628
"1420797"	348.954338	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+H+CF3COOH"	115.000138
"1155458"	179.524201	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+3ACN+2H"	125.094202
"1697480"	365.980885	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+NH4+CF3COOH"	132.026685
"1634470"	370.93628	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+Na+CF3COOH"	136.98208
"1571500"	386.91022	"C03575"	"2-Iodophenol methyl ether"	"C7H7IO"	"233.9542"	"M+K+CF3COOH"	152.95602
"814345"	141.9758	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M"	0
"976214"	122.95741	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-H2O-H"	-19.01839
"75760"	93.6432573333333	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M-3H"	-3.021828
"513499"	140.968524	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M-3H"	-3.021828
"892392"	46.3179906666667	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-3H"	-3.021828
"14250"	140.968524	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M-2H"	-2.014552
"455149"	211.956424	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M-2H"	-2.014552
"831139"	69.980624	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-2H"	-2.014552
"91253"	282.944324	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M-H"	-1.007276
"530083"	424.920124	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M-H"	-1.007276
"910554"	140.968524	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-H"	-1.007276
"60437"	299.970871	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M-2H+NH4"	16.019271
"500723"	441.946671	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M-2H+NH4"	16.019271
"879375"	157.995071	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-2H+NH4"	16.019271
"46873"	304.926266	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M-2H+Na"	20.974666
"486350"	446.902066	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M-2H+Na"	20.974666
"860505"	162.950466	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-2H+Na"	20.974666
"1627852"	162.950466	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Na-2H"	20.974666
"102194"	158.956863	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M-H+Cl"	33.962126
"541756"	229.944763	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M-H+Cl"	33.962126
"942161"	87.968963	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-H+Cl"	33.962126
"274919"	318.921002	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+Cl"	34.969402
"671716"	460.896802	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+Cl"	34.969402
"1277558"	176.945202	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Cl"	34.969402
"28509"	320.900206	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M-2H+K"	36.948606
"471023"	462.876006	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M-2H+K"	36.948606
"848261"	178.924406	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-2H+K"	36.948606
"1571175"	178.924406	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+K-2H"	36.948606
"958093"	186.973994	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-H+HCOOH"	44.998194
"376950"	328.949801	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+HCOOH-H"	44.998201
"361168"	342.965451	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+Hac-H"	59.013851
"1504160"	200.989651	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Hac-H"	59.013851
"971707"	208.955951	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-H+NaCOOH"	66.980151
"124258"	176.945202	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+2Cl"	69.938804
"560178"	247.933102	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+2Cl"	69.938804
"1034078"	105.957302	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2Cl"	69.938804
"1249652"	220.894685	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Br"	78.918885
"1318293"	222.950672	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Cl+HCOOH"	80.974872
"1334334"	244.932629	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Cl+NaCOOH"	102.956829
"926728"	254.961386	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M-H+CF3COOH"	112.985586
"1304059"	290.938064	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Cl+CF3COOH"	148.962264
"1382207"	106.963124	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H-2H2O"	-35.012676
"1398085"	124.9731	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H-H2O"	-17.0027
"294889"	284.958876	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+H"	1.007276
"689870"	426.934676	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+H"	1.007276
"1364391"	142.983076	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H"	1.007276
"139466"	142.983076	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+2H"	2.014552
"576110"	213.970976	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+2H"	2.014552
"1044909"	71.995176	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2H"	2.014552
"212808"	95.6578093333333	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+3H"	3.021828
"658937"	142.983076	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+3H"	3.021828
"1177913"	48.3325426666667	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+3H"	3.021828
"436324"	301.985423	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+NH4"	18.033823
"800359"	443.961223	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+NH4"	18.033823
"1696955"	160.009623	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+NH4"	18.033823
"340470"	151.4963495	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+H+NH4"	19.041099
"736911"	222.4842495	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+H+NH4"	19.041099
"1489636"	80.5084495	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H+NH4"	19.041099
"402124"	306.940818	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+Na"	22.989218
"767494"	448.916618	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+Na"	22.989218
"1612311"	164.965018	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Na"	22.989218
"326722"	153.974047	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+H+Na"	23.996494
"718047"	224.961947	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+H+Na"	23.996494
"1472963"	82.986147	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H+Na"	23.996494
"1064021"	55.6598566666667	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2H+Na"	25.00377
"1268980"	175.009286	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+CH3OH+H"	33.033486
"390837"	322.914758	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+K"	38.963158
"753862"	464.890558	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+K"	38.963158
"1554615"	180.938958	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+K"	38.963158
"314099"	161.961017	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+H+K"	39.970434
"707066"	232.948917	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+H+K"	39.970434
"1460224"	90.973117	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H+K"	39.970434
"248099"	325.985426	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+ACN+H"	42.033826
"1223724"	184.009626	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+ACN+H"	42.033826
"1208339"	92.508451	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+ACN+2H"	43.041102
"203761"	328.92276	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+2Na-H"	44.97116
"642599"	470.89856	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+2Na-H"	44.97116
"1145742"	186.94696	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2Na-H"	44.97116
"188312"	164.965018	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+2Na"	45.978436
"627750"	235.952918	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+2Na"	45.978436
"1129908"	93.977118	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2Na"	45.978436
"1413553"	62.9871706666667	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H+2Na"	46.985712
"1444575"	188.988546	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H+HCOOH"	47.012746
"234877"	169.99804	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+3H2O+2H"	56.04448
"1522821"	203.04059	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+IsoProp+H"	61.06479
"422992"	172.951988	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+Na+K"	61.952376
"785203"	243.939888	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+Na+K"	61.952376
"1681109"	101.964088	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Na+K"	61.952376
"266873"	347.967368	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+ACN+Na"	64.015768
"1239903"	205.991568	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+ACN+Na"	64.015768
"1728184"	206.015093	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+NH4+HCOOH"	64.039293
"1186490"	70.3144846666667	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+3Na"	68.967654
"1665384"	210.970488	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Na+HCOOH"	68.994688
"172647"	360.87064	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+2K-H"	76.91904
"611551"	502.84644	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+2K-H"	76.91904
"1099221"	218.89484	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2K-H"	76.91904
"152881"	180.938958	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"2M+2K"	77.926316
"596334"	251.926858	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"3M+2K"	77.926316
"1083273"	109.951058	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2K"	77.926316
"1115027"	220.909392	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2K+H"	78.933592
"1350438"	220.997007	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+DMSO+H"	79.021207
"1019331"	225.036176	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2ACN+H"	83.060376
"1537578"	226.029808	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+IsoProp+Na+H"	84.054008
"999652"	113.021726	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+2ACN+2H"	84.067652
"1597436"	226.944428	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+K+HCOOH"	84.968628
"1426375"	256.975938	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+H+CF3COOH"	115.000138
"1152288"	133.535001	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+3ACN+2H"	125.094202
"1701844"	274.002485	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+NH4+CF3COOH"	132.026685
"1635309"	278.95788	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+Na+CF3COOH"	136.98208
"1571689"	294.93182	"C03576"	"Coenzyme M;2-Mercaptoethanesulfonate;Reduced coenzyme M;HS-CoM;CoM"	"C2H6O3S2"	"141.9758"	"M+K+CF3COOH"	152.95602
"802425"	455.2342	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M"	0
"978145"	436.21581	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-H2O-H"	-19.01839
"64322"	302.482190666667	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M-3H"	-3.021828
"504853"	454.226924	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M-3H"	-3.021828
"883749"	150.737457333333	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-3H"	-3.021828
"4514"	454.226924	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M-2H"	-2.014552
"451732"	681.844024	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M-2H"	-2.014552
"828443"	226.609824	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-2H"	-2.014552
"92447"	909.461124	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M-H"	-1.007276
"531653"	1364.695324	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M-H"	-1.007276
"910061"	454.226924	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-H"	-1.007276
"59095"	926.487671	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M-2H+NH4"	16.019271
"501806"	1381.721871	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M-2H+NH4"	16.019271
"878633"	471.253471	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-2H+NH4"	16.019271
"47013"	931.443066	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M-2H+Na"	20.974666
"486094"	1386.677266	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M-2H+Na"	20.974666
"858428"	476.208866	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-2H+Na"	20.974666
"1627962"	476.208866	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Na-2H"	20.974666
"101210"	472.215263	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M-H+Cl"	33.962126
"544052"	699.832363	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M-H+Cl"	33.962126
"940849"	244.598163	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-H+Cl"	33.962126
"271749"	945.437802	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+Cl"	34.969402
"671826"	1400.672002	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+Cl"	34.969402
"1277668"	490.203602	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Cl"	34.969402
"29709"	947.417006	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M-2H+K"	36.948606
"469631"	1402.651206	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M-2H+K"	36.948606
"846829"	492.182806	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-2H+K"	36.948606
"1571220"	492.182806	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+K-2H"	36.948606
"958272"	500.232394	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-H+HCOOH"	44.998194
"376787"	955.466601	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+HCOOH-H"	44.998201
"361038"	969.482251	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+Hac-H"	59.013851
"1507676"	514.248051	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Hac-H"	59.013851
"970723"	522.214351	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-H+NaCOOH"	66.980151
"123640"	490.203602	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+2Cl"	69.938804
"561382"	717.820702	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+2Cl"	69.938804
"1034553"	262.586502	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2Cl"	69.938804
"1254863"	534.153085	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Br"	78.918885
"1319495"	536.209072	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Cl+HCOOH"	80.974872
"1335379"	558.191029	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Cl+NaCOOH"	102.956829
"926554"	568.219786	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M-H+CF3COOH"	112.985586
"1303908"	604.196464	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Cl+CF3COOH"	148.962264
"1382685"	420.221524	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H-2H2O"	-35.012676
"1398398"	438.2315	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H-H2O"	-17.0027
"297551"	911.475676	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+H"	1.007276
"691276"	1366.709876	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+H"	1.007276
"1366325"	456.241476	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H"	1.007276
"138119"	456.241476	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+2H"	2.014552
"575856"	683.858576	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+2H"	2.014552
"1049030"	228.624376	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2H"	2.014552
"216198"	304.496742666667	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+3H"	3.021828
"659537"	456.241476	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+3H"	3.021828
"1178403"	152.752009333333	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+3H"	3.021828
"434975"	928.502223	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+NH4"	18.033823
"800711"	1383.736423	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+NH4"	18.033823
"1695218"	473.268023	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+NH4"	18.033823
"344839"	464.7547495	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+H+NH4"	19.041099
"733002"	692.3718495	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+H+NH4"	19.041099
"1487915"	237.1376495	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H+NH4"	19.041099
"405517"	933.457618	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+Na"	22.989218
"765418"	1388.691818	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+Na"	22.989218
"1613517"	478.223418	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Na"	22.989218
"325740"	467.232447	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+H+Na"	23.996494
"719254"	694.849547	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+H+Na"	23.996494
"1474171"	239.615347	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H+Na"	23.996494
"1067416"	160.079323333333	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2H+Na"	25.00377
"1270189"	488.267686	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+CH3OH+H"	33.033486
"392044"	949.431558	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+K"	38.963158
"753932"	1404.665758	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+K"	38.963158
"1550717"	494.197358	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+K"	38.963158
"313607"	475.219417	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+H+K"	39.970434
"706800"	702.836517	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+H+K"	39.970434
"1457424"	247.602317	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H+K"	39.970434
"247118"	952.502226	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+ACN+H"	42.033826
"1223112"	497.268026	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+ACN+H"	42.033826
"1208086"	249.137651	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+ACN+2H"	43.041102
"203268"	955.43956	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+2Na-H"	44.97116
"643683"	1410.67376	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+2Na-H"	44.97116
"1146788"	500.20536	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2Na-H"	44.97116
"188297"	478.223418	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+2Na"	45.978436
"627609"	705.840518	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+2Na"	45.978436
"1130384"	250.606318	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2Na"	45.978436
"1413541"	167.406637333333	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H+2Na"	46.985712
"1444566"	502.246946	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H+HCOOH"	47.012746
"234866"	483.25644	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+3H2O+2H"	56.04448
"1523053"	516.29899	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+IsoProp+H"	61.06479
"423588"	486.210388	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+Na+K"	61.952376
"785069"	713.827488	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+Na+K"	61.952376
"1681269"	258.593288	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Na+K"	61.952376
"267064"	974.484168	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+ACN+Na"	64.015768
"1241295"	519.249968	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+ACN+Na"	64.015768
"1728396"	519.273493	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+NH4+HCOOH"	64.039293
"1185508"	174.733951333333	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+3Na"	68.967654
"1665202"	524.228888	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Na+HCOOH"	68.994688
"171862"	987.38744	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+2K-H"	76.91904
"612391"	1442.62164	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+2K-H"	76.91904
"1097994"	532.15324	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2K-H"	76.91904
"155178"	494.197358	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"2M+2K"	77.926316
"596810"	721.814458	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"3M+2K"	77.926316
"1084113"	266.580258	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2K"	77.926316
"1115259"	534.167792	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2K+H"	78.933592
"1350427"	534.255407	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+DMSO+H"	79.021207
"1018469"	538.294576	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2ACN+H"	83.060376
"1538296"	539.288208	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+IsoProp+Na+H"	84.054008
"999762"	269.650926	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+2ACN+2H"	84.067652
"1597546"	540.202828	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+K+HCOOH"	84.968628
"1425392"	570.234338	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+H+CF3COOH"	115.000138
"1150212"	290.164201	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+3ACN+2H"	125.094202
"1708515"	587.260885	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+NH4+CF3COOH"	132.026685
"1635783"	592.21628	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+Na+CF3COOH"	136.98208
"1571555"	608.19022	"C03577"	"20-Hydroxyleukotriene E4;20-OH-LTE4;20-OH-Leukotriene E4"	"C23H37NO6S"	"455.2342"	"M+K+CF3COOH"	152.95602
"803628"	364.1522	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M"	0
"980441"	345.13381	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-H2O-H"	-19.01839
"67590"	241.760857333333	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M-3H"	-3.021828
"507150"	363.144924	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M-3H"	-3.021828
"880578"	120.376790666667	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-3H"	-3.021828
"4620"	363.144924	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M-2H"	-2.014552
"440898"	545.221024	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M-2H"	-2.014552
"820888"	181.068824	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-2H"	-2.014552
"92190"	727.297124	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M-H"	-1.007276
"532370"	1091.449324	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M-H"	-1.007276
"910413"	363.144924	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-H"	-1.007276
"61144"	744.323671	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M-2H+NH4"	16.019271
"501670"	1108.475871	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M-2H+NH4"	16.019271
"879472"	380.171471	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-2H+NH4"	16.019271
"46162"	749.279066	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M-2H+Na"	20.974666
"485961"	1113.431266	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M-2H+Na"	20.974666
"855258"	385.126866	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-2H+Na"	20.974666
"1628072"	385.126866	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Na-2H"	20.974666
"99133"	381.133263	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M-H+Cl"	33.962126
"540883"	563.209363	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M-H+Cl"	33.962126
"940231"	199.057163	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-H+Cl"	33.962126
"278421"	763.273802	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+Cl"	34.969402
"671936"	1127.426002	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+Cl"	34.969402
"1282153"	399.121602	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Cl"	34.969402
"29450"	765.253006	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M-2H+K"	36.948606
"470833"	1129.405206	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M-2H+K"	36.948606
"846091"	401.100806	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-2H+K"	36.948606
"1568852"	401.100806	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+K-2H"	36.948606
"957461"	409.150394	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-H+HCOOH"	44.998194
"374586"	773.302601	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+HCOOH-H"	44.998201
"359806"	787.318251	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+Hac-H"	59.013851
"1507296"	423.166051	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Hac-H"	59.013851
"965361"	431.132351	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-H+NaCOOH"	66.980151
"116821"	399.121602	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+2Cl"	69.938804
"561485"	581.197702	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+2Cl"	69.938804
"1033565"	217.045502	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2Cl"	69.938804
"1254239"	443.071085	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Br"	78.918885
"1318877"	445.127072	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Cl+HCOOH"	80.974872
"1334673"	467.109029	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Cl+NaCOOH"	102.956829
"919772"	477.137786	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M-H+CF3COOH"	112.985586
"1300856"	513.114464	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Cl+CF3COOH"	148.962264
"1380479"	329.139524	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H-2H2O"	-35.012676
"1392142"	347.1495	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H-H2O"	-17.0027
"292922"	729.311676	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+H"	1.007276
"690735"	1093.463876	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+H"	1.007276
"1362422"	365.159476	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H"	1.007276
"136405"	365.159476	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+2H"	2.014552
"578517"	547.235576	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+2H"	2.014552
"1046222"	183.083376	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2H"	2.014552
"218494"	243.775409333333	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+3H"	3.021828
"658062"	365.159476	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+3H"	3.021828
"1175090"	122.391342666667	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+3H"	3.021828
"433989"	746.338223	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+NH4"	18.033823
"793890"	1110.490423	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+NH4"	18.033823
"1694600"	382.186023	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+NH4"	18.033823
"345071"	373.6727495	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+H+NH4"	19.041099
"735298"	555.7488495	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+H+NH4"	19.041099
"1484745"	191.5966495	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H+NH4"	19.041099
"408308"	751.293618	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+Na"	22.989218
"767717"	1115.445818	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+Na"	22.989218
"1618358"	387.141418	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Na"	22.989218
"329957"	376.150447	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+H+Na"	23.996494
"722529"	558.226547	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+H+Na"	23.996494
"1476227"	194.074347	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H+Na"	23.996494
"1068260"	129.718656666667	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2H+Na"	25.00377
"1272246"	397.185686	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+CH3OH+H"	33.033486
"392037"	767.267558	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+K"	38.963158
"753272"	1131.419758	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+K"	38.963158
"1555081"	403.115358	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+K"	38.963158
"313477"	384.137417	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+H+K"	39.970434
"705538"	566.213517	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+H+K"	39.970434
"1460815"	202.061317	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H+K"	39.970434
"249057"	770.338226	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+ACN+H"	42.033826
"1223954"	406.186026	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+ACN+H"	42.033826
"1208567"	203.596651	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+ACN+2H"	43.041102
"203912"	773.27556	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+2Na-H"	44.97116
"644142"	1137.42776	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+2Na-H"	44.97116
"1146958"	409.12336	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2Na-H"	44.97116
"188506"	387.141418	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+2Na"	45.978436
"628433"	569.217518	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+2Na"	45.978436
"1131336"	205.065318	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2Na"	45.978436
"1413778"	137.045970666667	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H+2Na"	46.985712
"1445557"	411.164946	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H+HCOOH"	47.012746
"235265"	392.17444	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+3H2O+2H"	56.04448
"1524156"	425.21699	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+IsoProp+H"	61.06479
"424158"	395.128388	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+Na+K"	61.952376
"785467"	577.204488	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+Na+K"	61.952376
"1680899"	213.052288	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Na+K"	61.952376
"267008"	792.320168	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+ACN+Na"	64.015768
"1239881"	428.167968	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+ACN+Na"	64.015768
"1727922"	428.191493	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+NH4+HCOOH"	64.039293
"1193882"	144.373284666667	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+3Na"	68.967654
"1659886"	433.146888	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Na+HCOOH"	68.994688
"170026"	805.22344	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+2K-H"	76.91904
"610679"	1169.37564	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+2K-H"	76.91904
"1099770"	441.07124	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2K-H"	76.91904
"156752"	403.115358	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"2M+2K"	77.926316
"592663"	585.191458	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"3M+2K"	77.926316
"1080456"	221.039258	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2K"	77.926316
"1115331"	443.085792	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2K+H"	78.933592
"1350049"	443.173407	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+DMSO+H"	79.021207
"1019309"	447.212576	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2ACN+H"	83.060376
"1536704"	448.206208	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+IsoProp+Na+H"	84.054008
"999872"	224.109926	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+2ACN+2H"	84.067652
"1597656"	449.120828	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+K+HCOOH"	84.968628
"1425502"	479.152338	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+H+CF3COOH"	115.000138
"1151415"	244.623201	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+3ACN+2H"	125.094202
"1708625"	496.178885	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+NH4+CF3COOH"	132.026685
"1635895"	501.13428	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+Na+CF3COOH"	136.98208
"1571665"	517.10822	"C03579"	"Gibberellin A8;2beta-Hydroxygibberellin 1"	"C19H24O7"	"364.1522"	"M+K+CF3COOH"	152.95602
"804832"	661.2109	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M"	0
"983833"	642.19251	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-H2O-H"	-19.01839
"63933"	439.799990666667	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M-3H"	-3.021828
"509448"	660.203624	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M-3H"	-3.021828
"883969"	219.396357333333	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-3H"	-3.021828
"6918"	660.203624	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M-2H"	-2.014552
"446477"	990.809074	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M-2H"	-2.014552
"822091"	329.598174	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-2H"	-2.014552
"91931"	1321.414524	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M-H"	-1.007276
"532471"	1982.625424	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M-H"	-1.007276
"909058"	660.203624	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-H"	-1.007276
"60758"	1338.441071	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M-2H+NH4"	16.019271
"500564"	1999.651971	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M-2H+NH4"	16.019271
"876540"	677.230171	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-2H+NH4"	16.019271
"44567"	1343.396466	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M-2H+Na"	20.974666
"484492"	2004.607366	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M-2H+Na"	20.974666
"858647"	682.185566	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-2H+Na"	20.974666
"1625995"	682.185566	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Na-2H"	20.974666
"102523"	678.191963	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M-H+Cl"	33.962126
"538803"	1008.797413	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M-H+Cl"	33.962126
"931227"	347.586513	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-H+Cl"	33.962126
"275251"	1357.391202	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+Cl"	34.969402
"660500"	2018.602102	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+Cl"	34.969402
"1275702"	696.180302	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Cl"	34.969402
"21536"	1359.370406	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M-2H+K"	36.948606
"466570"	2020.581306	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M-2H+K"	36.948606
"839996"	698.159506	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-2H+K"	36.948606
"1567495"	698.159506	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+K-2H"	36.948606
"955015"	706.209094	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-H+HCOOH"	44.998194
"370676"	1367.420001	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+HCOOH-H"	44.998201
"359911"	1381.435651	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+Hac-H"	59.013851
"1502300"	720.224751	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Hac-H"	59.013851
"968750"	728.191051	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-H+NaCOOH"	66.980151
"116563"	696.180302	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+2Cl"	69.938804
"561228"	1026.785752	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+2Cl"	69.938804
"1026747"	365.574852	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2Cl"	69.938804
"1249606"	740.129785	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Br"	78.918885
"1316799"	742.185772	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Cl+HCOOH"	80.974872
"1334053"	764.167729	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Cl+NaCOOH"	102.956829
"915873"	774.196486	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M-H+CF3COOH"	112.985586
"1298780"	810.173164	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Cl+CF3COOH"	148.962264
"1379494"	626.198224	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H-2H2O"	-35.012676
"1392252"	644.2082	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H-H2O"	-17.0027
"289751"	1323.429076	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+H"	1.007276
"690196"	1984.639976	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+H"	1.007276
"1362168"	662.218176	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H"	1.007276
"134692"	662.218176	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+2H"	2.014552
"576440"	992.823626	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+2H"	2.014552
"1047427"	331.612726	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2H"	2.014552
"215324"	441.814542666667	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+3H"	3.021828
"657807"	662.218176	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+3H"	3.021828
"1175200"	221.410909333333	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+3H"	3.021828
"434099"	1340.455623	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+NH4"	18.033823
"799467"	2001.666523	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+NH4"	18.033823
"1692521"	679.244723	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+NH4"	18.033823
"343719"	670.7314495	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+H+NH4"	19.041099
"735408"	1001.3368995	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+H+NH4"	19.041099
"1487042"	340.1259995	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H+NH4"	19.041099
"408247"	1345.411018	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+Na"	22.989218
"767827"	2006.621918	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+Na"	22.989218
"1617265"	684.200118	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Na"	22.989218
"329000"	673.209147	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+H+Na"	23.996494
"719476"	1003.814597	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+H+Na"	23.996494
"1475851"	342.603697	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H+Na"	23.996494
"1067630"	228.738223333333	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2H+Na"	25.00377
"1270040"	694.244386	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+CH3OH+H"	33.033486
"392261"	1361.384958	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+K"	38.963158
"752892"	2022.595858	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+K"	38.963158
"1554222"	700.174058	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+K"	38.963158
"312128"	681.196117	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+H+K"	39.970434
"705890"	1011.801567	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+H+K"	39.970434
"1459103"	350.590667	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H+K"	39.970434
"249894"	1364.455626	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+ACN+H"	42.033826
"1222605"	703.244726	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+ACN+H"	42.033826
"1207582"	352.126001	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+ACN+2H"	43.041102
"201912"	1367.39296	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+2Na-H"	44.97116
"642567"	2028.60386	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+2Na-H"	44.97116
"1145710"	706.18206	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2Na-H"	44.97116
"187907"	684.200118	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+2Na"	45.978436
"628277"	1014.805568	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+2Na"	45.978436
"1130972"	353.594668	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2Na"	45.978436
"1413279"	236.065537333333	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H+2Na"	46.985712
"1445353"	708.223646	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H+HCOOH"	47.012746
"234845"	689.23314	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+3H2O+2H"	56.04448
"1523272"	722.27569	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+IsoProp+H"	61.06479
"423972"	692.187088	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+Na+K"	61.952376
"785291"	1022.792538	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+Na+K"	61.952376
"1680642"	361.581638	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Na+K"	61.952376
"266846"	1386.437568	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+ACN+Na"	64.015768
"1238777"	725.226668	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+ACN+Na"	64.015768
"1728114"	725.250193	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+NH4+HCOOH"	64.039293
"1192900"	243.392851333333	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+3Na"	68.967654
"1663276"	730.205588	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Na+HCOOH"	68.994688
"172084"	1399.34084	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+2K-H"	76.91904
"612491"	2060.55174	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+2K-H"	76.91904
"1099195"	738.12994	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2K-H"	76.91904
"156702"	700.174058	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"2M+2K"	77.926316
"592773"	1030.779508	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"3M+2K"	77.926316
"1080566"	369.568608	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2K"	77.926316
"1115240"	740.144492	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2K+H"	78.933592
"1349796"	740.232107	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+DMSO+H"	79.021207
"1019662"	744.271276	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2ACN+H"	83.060376
"1536814"	745.264908	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+IsoProp+Na+H"	84.054008
"999982"	372.639276	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+2ACN+2H"	84.067652
"1601047"	746.179528	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+K+HCOOH"	84.968628
"1425612"	776.211038	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+H+CF3COOH"	115.000138
"1150432"	393.152551	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+3ACN+2H"	125.094202
"1708735"	793.237585	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+NH4+CF3COOH"	132.026685
"1637825"	798.19298	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+Na+CF3COOH"	136.98208
"1574575"	814.16692	"C03580"	"3-Adenylylspectinomycin"	"C24H36N7O13P"	"661.2109"	"M+K+CF3COOH"	152.95602
"802754"	228.0786	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M"	0
"981756"	209.06021	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"63678"	151.045124	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"507371"	227.071324	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"882986"	75.018924	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"7028"	227.071324	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"442578"	341.110624	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"818557"	113.032024	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"90948"	455.149924	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"532337"	683.228524	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"910867"	227.071324	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"60502"	472.176471	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"501526"	700.255071	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"876771"	244.097871	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"45768"	477.131866	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"485329"	705.210466	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"855475"	249.053266	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1627199"	249.053266	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"101540"	245.059663	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"535266"	359.098963	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"931336"	131.020363	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"275361"	491.126602	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"660974"	719.205202	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1275812"	263.048002	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"20553"	493.105806	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"466680"	721.184406	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"841199"	265.027206	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1569062"	265.027206	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"957310"	273.076794	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"371879"	501.155401	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"359777"	515.171051	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1501316"	287.092451	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"969953"	295.058751	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"116672"	263.048002	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"554411"	377.087302	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1026493"	149.008702	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1248623"	306.997485	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1316909"	309.053472	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1334527"	331.035429	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"918899"	341.064186	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1298162"	377.040864	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1381427"	193.065924	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1394550"	211.0759	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"294965"	457.164476	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"689211"	685.243076	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1361914"	229.085876	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"134438"	229.085876	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"577279"	343.125176	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1047901"	115.046576	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"212154"	153.059676	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"656090"	229.085876	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1172031"	77.033476	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"430927"	474.191023	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"796297"	702.269623	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1695551"	246.112423	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"342733"	237.5991495	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"735518"	351.6384495	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1488244"	123.5598495	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"408283"	479.146418	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"769155"	707.225018	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1617740"	251.067818	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"328748"	240.076847	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"721412"	354.116147	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1476486"	126.037547	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1064460"	84.36079	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1269421"	261.112086	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"392537"	495.120358	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"753002"	723.198958	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1554857"	267.041758	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"312599"	248.063817	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"705391"	362.103117	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1460306"	134.024517	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"249640"	498.191026	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1223443"	270.112426	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1209030"	135.559851	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"203235"	501.12836	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"643649"	729.20696	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1146593"	273.04976	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"188014"	251.067818	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"628228"	365.107118	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1130719"	137.028518	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1413753"	91.688104	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1445143"	275.091346	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"234587"	256.10084	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1524059"	289.14339	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"423427"	259.054788	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"785115"	373.094088	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1681038"	145.015488	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"263991"	520.172968	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1233784"	292.094368	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1726680"	292.117893	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1193862"	99.015418	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1664116"	297.073288	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"172397"	533.07624	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"612439"	761.15484	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1099183"	304.99764	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"157082"	267.041758	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"592883"	381.081058	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1083472"	153.002458	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1114739"	307.012192	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1350027"	307.099807	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1020622"	311.138976	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1536924"	312.132608	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"997905"	156.073126	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1598970"	313.047228	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1423535"	343.078738	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1151635"	176.586401	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1708845"	360.105285	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1637935"	365.06068	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1574685"	381.03462	"C03582"	"Resveratrol;345-Trihydroxystilbene;trans-Resveratrol"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"814895"	199.0593	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M"	0
"978587"	180.04091	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-H2O-H"	-19.01839
"64641"	131.698924	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M-3H"	-3.021828
"506389"	198.052024	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M-3H"	-3.021828
"882003"	65.345824	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-3H"	-3.021828
"4951"	198.052024	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M-2H"	-2.014552
"440138"	297.581674	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M-2H"	-2.014552
"820127"	98.522374	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-2H"	-2.014552
"80119"	397.111324	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M-H"	-1.007276
"532686"	596.170624	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M-H"	-1.007276
"907332"	198.052024	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-H"	-1.007276
"60612"	414.137871	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M-2H+NH4"	16.019271
"500911"	613.197171	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M-2H+NH4"	16.019271
"877976"	215.078571	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-2H+NH4"	16.019271
"45884"	419.093266	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M-2H+Na"	20.974666
"485079"	618.152566	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M-2H+Na"	20.974666
"862879"	220.033966	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-2H+Na"	20.974666
"1628402"	220.033966	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Na-2H"	20.974666
"102744"	216.040363	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M-H+Cl"	33.962126
"537930"	315.570013	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M-H+Cl"	33.962126
"931446"	116.510713	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-H+Cl"	33.962126
"272190"	433.088002	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+Cl"	34.969402
"662424"	632.147302	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+Cl"	34.969402
"1281390"	234.028702	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Cl"	34.969402
"26135"	435.067206	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M-2H+K"	36.948606
"468613"	634.126506	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M-2H+K"	36.948606
"844591"	236.007906	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-2H+K"	36.948606
"1568813"	236.007906	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+K-2H"	36.948606
"952684"	244.057494	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-H+HCOOH"	44.998194
"376246"	443.116801	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+HCOOH-H"	44.998201
"359765"	457.132451	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+Hac-H"	59.013851
"1505075"	258.073151	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Hac-H"	59.013851
"970065"	266.039451	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-H+NaCOOH"	66.980151
"115324"	234.028702	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+2Cl"	69.938804
"555250"	333.558352	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+2Cl"	69.938804
"1029522"	134.499052	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2Cl"	69.938804
"1249101"	277.978185	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Br"	78.918885
"1313736"	280.034172	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Cl+HCOOH"	80.974872
"1331234"	302.016129	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Cl+NaCOOH"	102.956829
"924117"	312.044886	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M-H+CF3COOH"	112.985586
"1300095"	348.021564	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Cl+CF3COOH"	148.962264
"1381904"	164.046624	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H-2H2O"	-35.012676
"1391379"	182.0566	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H-H2O"	-17.0027
"293253"	399.125876	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+H"	1.007276
"690173"	598.185176	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+H"	1.007276
"1362388"	200.066576	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H"	1.007276
"133819"	200.066576	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+2H"	2.014552
"576295"	299.596226	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+2H"	2.014552
"1048740"	100.536926	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2H"	2.014552
"212265"	133.713476	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+3H"	3.021828
"656200"	200.066576	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+3H"	3.021828
"1173236"	67.360376	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+3H"	3.021828
"431037"	416.152423	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+NH4"	18.033823
"798962"	615.211723	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+NH4"	18.033823
"1696714"	217.093123	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+NH4"	18.033823
"342477"	208.5798495	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+H+NH4"	19.041099
"733441"	308.1094995	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+H+NH4"	19.041099
"1488358"	109.0501995	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H+NH4"	19.041099
"408351"	421.107818	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+Na"	22.989218
"766955"	620.167118	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+Na"	22.989218
"1617731"	222.048518	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Na"	22.989218
"329708"	211.057547	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+H+Na"	23.996494
"722500"	310.587197	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+H+Na"	23.996494
"1476066"	111.527897	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H+Na"	23.996494
"1068024"	74.68769	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2H+Na"	25.00377
"1271722"	232.092786	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+CH3OH+H"	33.033486
"391025"	437.081758	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+K"	38.963158
"751289"	636.141058	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+K"	38.963158
"1554078"	238.022458	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+K"	38.963158
"312347"	219.044517	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+H+K"	39.970434
"703674"	318.574167	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+H+K"	39.970434
"1458953"	119.514867	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H+K"	39.970434
"250838"	440.152426	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+ACN+H"	42.033826
"1225448"	241.093126	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+ACN+H"	42.033826
"1209860"	121.050201	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+ACN+2H"	43.041102
"201394"	443.08976	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+2Na-H"	44.97116
"644035"	642.14906	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+2Na-H"	44.97116
"1146813"	244.03046	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2Na-H"	44.97116
"188255"	222.048518	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+2Na"	45.978436
"628015"	321.578168	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+2Na"	45.978436
"1131157"	122.518868	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2Na"	45.978436
"1414071"	82.015004	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H+2Na"	46.985712
"1445410"	246.072046	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H+HCOOH"	47.012746
"235308"	227.08154	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+3H2O+2H"	56.04448
"1523000"	260.12409	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+IsoProp+H"	61.06479
"423743"	230.035488	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+Na+K"	61.952376
"785262"	329.565138	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+Na+K"	61.952376
"1680866"	130.505838	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Na+K"	61.952376
"266047"	462.134368	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+ACN+Na"	64.015768
"1237174"	263.075068	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+ACN+Na"	64.015768
"1726790"	263.098593	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+NH4+HCOOH"	64.039293
"1193894"	89.342318	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+3Na"	68.967654
"1665162"	268.053988	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Na+HCOOH"	68.994688
"172058"	475.03764	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+2K-H"	76.91904
"612469"	674.09694	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+2K-H"	76.91904
"1099168"	275.97834	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2K-H"	76.91904
"156842"	238.022458	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"2M+2K"	77.926316
"596152"	337.552108	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"3M+2K"	77.926316
"1084038"	138.492808	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2K"	77.926316
"1114482"	277.992892	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2K+H"	78.933592
"1350016"	278.080507	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+DMSO+H"	79.021207
"1017815"	282.119676	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2ACN+H"	83.060376
"1534847"	283.113308	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+IsoProp+Na+H"	84.054008
"1000202"	141.563476	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+2ACN+2H"	84.067652
"1600174"	284.027928	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+K+HCOOH"	84.968628
"1425832"	314.059438	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+H+CF3COOH"	115.000138
"1151745"	162.076751	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+3ACN+2H"	125.094202
"1708955"	331.085985	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+NH4+CF3COOH"	132.026685
"1636952"	336.04138	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+Na+CF3COOH"	136.98208
"1571511"	352.01532	"C03584"	"3-(Uracil-1-yl)-L-alanine;Willardiine"	"C7H9N3O4"	"199.0593"	"M+K+CF3COOH"	152.95602
"805162"	175.9876	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M"	0
"981976"	156.96921	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-H2O-H"	-19.01839
"64751"	116.317790666667	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M-3H"	-3.021828
"504674"	174.980324	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M-3H"	-3.021828
"883205"	57.6552573333333	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-3H"	-3.021828
"1781"	174.980324	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M-2H"	-2.014552
"443528"	262.974124	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M-2H"	-2.014552
"821330"	86.986524	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-2H"	-2.014552
"84602"	350.967924	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M-H"	-1.007276
"531824"	526.955524	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M-H"	-1.007276
"905255"	174.980324	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-H"	-1.007276
"56347"	367.994471	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M-2H+NH4"	16.019271
"498829"	543.982071	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M-2H+NH4"	16.019271
"875536"	192.006871	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-2H+NH4"	16.019271
"45266"	372.949866	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M-2H+Na"	20.974666
"483974"	548.937466	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M-2H+Na"	20.974666
"860802"	196.962266	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-2H+Na"	20.974666
"1625232"	196.962266	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Na-2H"	20.974666
"101760"	192.968663	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M-H+Cl"	33.962126
"534294"	280.962463	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M-H+Cl"	33.962126
"929369"	104.974863	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-H+Cl"	33.962126
"270113"	386.944602	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+Cl"	34.969402
"663627"	562.932202	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+Cl"	34.969402
"1281500"	210.957002	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Cl"	34.969402
"26245"	388.923806	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M-2H+K"	36.948606
"467993"	564.911406	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M-2H+K"	36.948606
"845795"	212.936206	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-2H+K"	36.948606
"1569287"	212.936206	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+K-2H"	36.948606
"954980"	220.985794	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-H+HCOOH"	44.998194
"376829"	396.973401	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+HCOOH-H"	44.998201
"358903"	410.989051	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+Hac-H"	59.013851
"1505912"	235.001451	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Hac-H"	59.013851
"970904"	242.967751	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-H+NaCOOH"	66.980151
"121268"	210.957002	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+2Cl"	69.938804
"557547"	298.950802	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+2Cl"	69.938804
"1031455"	122.963202	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2Cl"	69.938804
"1250301"	254.906485	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Br"	78.918885
"1312751"	256.962472	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Cl+HCOOH"	80.974872
"1330249"	278.944429	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Cl+NaCOOH"	102.956829
"924224"	288.973186	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M-H+CF3COOH"	112.985586
"1296925"	324.949864	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Cl+CF3COOH"	148.962264
"1379097"	140.974924	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H-2H2O"	-35.012676
"1393675"	158.9849	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H-H2O"	-17.0027
"292999"	352.982476	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+H"	1.007276
"690160"	528.970076	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+H"	1.007276
"1363957"	176.994876	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H"	1.007276
"135753"	176.994876	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+2H"	2.014552
"576406"	264.988676	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+2H"	2.014552
"1049213"	89.001076	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2H"	2.014552
"213467"	118.332342666667	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+3H"	3.021828
"655582"	176.994876	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+3H"	3.021828
"1176260"	59.6698093333333	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+3H"	3.021828
"434427"	370.009023	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+NH4"	18.033823
"794329"	545.996623	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+NH4"	18.033823
"1693946"	194.021423	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+NH4"	18.033823
"342224"	185.5081495	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+H+NH4"	19.041099
"733187"	273.5019495	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+H+NH4"	19.041099
"1488104"	97.5143495	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H+NH4"	19.041099
"408534"	374.964418	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+Na"	22.989218
"768160"	550.952018	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+Na"	22.989218
"1618081"	198.976818	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Na"	22.989218
"329699"	187.985847	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+H+Na"	23.996494
"722730"	275.979647	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+H+Na"	23.996494
"1476541"	99.992047	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H+Na"	23.996494
"1068295"	66.9971233333333	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2H+Na"	25.00377
"1272198"	209.021086	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+CH3OH+H"	33.033486
"391497"	390.938358	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+K"	38.963158
"751399"	566.925958	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+K"	38.963158
"1555283"	214.950758	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+K"	38.963158
"314080"	195.972817	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+H+K"	39.970434
"706337"	283.966617	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+H+K"	39.970434
"1459792"	107.979017	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H+K"	39.970434
"250948"	394.009026	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+ACN+H"	42.033826
"1224641"	218.021426	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+ACN+H"	42.033826
"1209620"	109.514351	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+ACN+2H"	43.041102
"201140"	396.94636	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+2Na-H"	44.97116
"644189"	572.93396	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+2Na-H"	44.97116
"1147020"	220.95876	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2Na-H"	44.97116
"188505"	198.976818	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+2Na"	45.978436
"628443"	286.970618	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+2Na"	45.978436
"1131106"	110.983018	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2Na"	45.978436
"1414127"	74.3244373333333	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H+2Na"	46.985712
"1445514"	223.000346	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H+HCOOH"	47.012746
"235503"	204.00984	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+3H2O+2H"	56.04448
"1522746"	237.05239	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+IsoProp+H"	61.06479
"423649"	206.963788	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+Na+K"	61.952376
"783544"	294.957588	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+Na+K"	61.952376
"1678419"	118.969988	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Na+K"	61.952376
"264211"	415.990968	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+ACN+Na"	64.015768
"1231816"	240.003368	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+ACN+Na"	64.015768
"1721796"	240.026893	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+NH4+HCOOH"	64.039293
"1193717"	81.6517513333333	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+3Na"	68.967654
"1665270"	244.982288	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Na+HCOOH"	68.994688
"169372"	428.89424	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+2K-H"	76.91904
"605651"	604.88184	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+2K-H"	76.91904
"1097576"	252.90664	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2K-H"	76.91904
"156461"	214.950758	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"2M+2K"	77.926316
"595898"	302.944558	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"3M+2K"	77.926316
"1084177"	126.956958	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2K"	77.926316
"1114349"	254.921192	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2K+H"	78.933592
"1349762"	255.008807	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+DMSO+H"	79.021207
"1017925"	259.047976	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2ACN+H"	83.060376
"1538237"	260.041608	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+IsoProp+Na+H"	84.054008
"1002499"	130.027626	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+2ACN+2H"	84.067652
"1598097"	260.956228	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+K+HCOOH"	84.968628
"1427035"	290.987738	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+H+CF3COOH"	115.000138
"1151855"	150.540901	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+3ACN+2H"	125.094202
"1709065"	308.014285	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+NH4+CF3COOH"	132.026685
"1638155"	312.96968	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+Na+CF3COOH"	136.98208
"1572350"	328.94362	"C03585"	"3-Chloro-ciscis-muconate;(2E4Z)-3-Chlorohexa-24-dienedioate"	"C6H5ClO4"	"175.9876"	"M+K+CF3COOH"	152.95602
"805272"	142.0266	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M"	0
"982086"	123.00821	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"64861"	93.677124	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"504784"	141.019324	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"883315"	46.334924	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"2984"	141.019324	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"442544"	212.032624	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"820347"	70.006024	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"81431"	283.045924	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"522089"	425.072524	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"900993"	141.019324	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"56457"	300.072471	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"497482"	442.099071	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"871637"	158.045871	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"43916"	305.027866	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"482018"	447.054466	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"858726"	163.001266	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1625342"	163.001266	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"100777"	159.007663	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"534288"	230.020963	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"927138"	87.994363	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"270223"	319.022602	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"660820"	461.049202	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1280517"	176.996002	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"23073"	321.001806	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"465916"	463.028406	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"842626"	178.975206	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1566116"	178.975206	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"950717"	187.024794	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"372214"	329.051401	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"356097"	343.067051	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1503835"	201.040451	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"969557"	209.006751	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"118098"	176.996002	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"552189"	248.009302	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1029742"	105.982702	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1250411"	220.945485	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1315776"	223.001472	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1330359"	244.983429	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"924698"	255.012186	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1298128"	290.988864	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1377383"	107.013924	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1394878"	125.0239	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"293107"	285.060476	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"689176"	427.087076	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1362244"	143.033876	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"134768"	143.033876	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"575785"	214.047176	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1047863"	72.020576	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"210297"	95.691676	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"656056"	143.033876	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1172358"	48.349476	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"433443"	302.087023	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"792250"	444.113623	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1693691"	160.060423	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"343789"	151.5471495	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"734391"	222.5604495	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1488576"	80.5338495	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"408123"	307.042418	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"766814"	449.069018	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1616734"	165.015818	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"329321"	154.024847	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"722108"	225.038147	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1474707"	83.011547	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1067715"	55.67679	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1271455"	175.060086	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"391244"	323.016358	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"751510"	465.042958	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1553935"	180.989758	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"313661"	162.011817	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"705353"	233.025117	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1458079"	90.998517	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"249234"	326.087026	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1225065"	184.060426	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1208743"	92.533851	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"200154"	329.02436	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"644067"	471.05096	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1146630"	186.99776	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"187733"	165.015818	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"627293"	236.029118	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1131253"	94.002518	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1413470"	63.004104	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1445432"	189.039346	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"235373"	170.04884	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1523221"	203.09139	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"423881"	173.002788	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"783900"	244.016088	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1679625"	101.989488	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"265050"	348.068968	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1230467"	206.042368	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1722999"	206.065893	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1191638"	70.331418	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1664202"	211.021288	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"171914"	360.97224	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"605761"	502.99884	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1094647"	218.94564	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"156815"	180.989758	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"596130"	252.003058	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1083565"	109.976458	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1115068"	220.960192	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1349022"	221.047807	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1018035"	225.086976	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1536890"	226.080608	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"1003338"	113.047126	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1598207"	226.995228	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1427145"	257.026738	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1151965"	133.560401	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1709175"	274.053285	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1636079"	279.00868	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1571367"	294.98262	"C03586"	"2-Oxo-23-dihydrofuran-5-acetate;3-Oxoadipate enol-lactone;45-Dihydro-5-oxofuran-2-acetate;5-Oxo-45-dihydrofuran-2-acetate"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"808664"	362.2093	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M"	0
"975634"	343.19091	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"62950"	240.465590666667	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"505257"	361.202024	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"886708"	119.729157333333	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"3095"	361.202024	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"441924"	542.306674	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"818020"	180.097374	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"82641"	723.411324	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"530957"	1085.620624	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"903289"	361.202024	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"60832"	740.437871	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"501121"	1102.647171	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"875394"	378.228571	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"42932"	745.393266	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"485536"	1107.602566	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"854826"	383.183966	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1621077"	383.183966	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"104169"	379.190363	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"538263"	560.295013	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"928248"	198.085713	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"267779"	759.388002	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"670776"	1121.597302	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1279533"	397.178702	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"23184"	761.367206	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"463838"	1123.576506	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"841642"	399.157906	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1568413"	399.157906	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"953016"	407.207494	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"371230"	769.416801	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"351467"	783.432451	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1498841"	421.223151	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"963100"	429.189451	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"117111"	397.178702	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"557764"	578.283352	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1021945"	216.074052	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1243228"	441.128185	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1307135"	443.184172	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1327184"	465.166129	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"919342"	475.194886	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1293862"	511.171564	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1375305"	327.196624	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1383686"	345.2066	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"287017"	725.425876	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"677619"	1087.635176	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1355786"	363.216576	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"129769"	363.216576	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"570426"	544.321226	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1043598"	182.111926	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"205666"	242.480142666667	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"648140"	363.216576	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1166261"	121.743709333333	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"426615"	742.452423	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"793456"	1104.661723	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1686505"	380.243123	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"341351"	371.7298495	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"731584"	552.8344995	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1490163"	190.6251995	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"407019"	747.407818	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"766194"	1109.617118	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1616478"	385.198518	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"327607"	374.207547	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"721491"	555.312197	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1475427"	193.102897	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1066735"	129.071023333333	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1270715"	395.242786	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"388437"	763.381758	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"753204"	1125.591058	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1553923"	401.172458	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"313857"	382.194517	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"706196"	563.299167	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1459282"	201.089867	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"247521"	766.452426	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1223511"	404.243126	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1207758"	202.625201	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"204217"	769.38976	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"642504"	1131.59906	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1146134"	407.18046	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"188090"	385.198518	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"626552"	566.303168	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1129936"	204.093868	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1413582"	136.398337333333	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1443991"	409.222046	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"227731"	390.23154	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1519801"	423.27409	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"419851"	393.185488	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"783038"	574.290138	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1681075"	212.080838	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"266259"	788.434368	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1240792"	426.225068	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1727856"	426.248593	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1193329"	143.725651333333	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1664190"	431.203988	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"166313"	801.33764	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"609153"	1163.54694	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1098293"	439.12834	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"156925"	401.172458	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"595997"	582.277108	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1083671"	220.067808	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1114813"	441.142892	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1350957"	441.230507	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1019238"	445.269676	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1536270"	446.263308	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"1000532"	223.138476	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1600503"	447.177928	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1427255"	477.209438	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1156454"	243.651751	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1697504"	494.235985	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1637286"	499.19138	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1571321"	515.16532	"C03588"	"45alpha-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"808774"	132.0423	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M"	0
"974772"	113.02391	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"63255"	87.020924	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"503182"	131.035024	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"882442"	43.006824	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"1014"	131.035024	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"441670"	197.056174	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"819469"	65.013874	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"83844"	263.077324	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"528876"	395.119624	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"902302"	131.035024	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"61059"	280.103871	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"501715"	412.146171	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"874775"	148.061571	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"44498"	285.059266	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"486250"	417.101566	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"856029"	153.016966	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1621187"	153.016966	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"104279"	149.023363	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"538373"	215.044513	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"928477"	83.002213	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"267890"	299.054002	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"662866"	431.096302	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1279643"	167.011702	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"16608"	301.033206	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"460667"	433.075506	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"838469"	168.990906	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1561957"	168.990906	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"953120"	177.040494	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"372429"	309.082801	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"348661"	323.098451	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1496035"	191.056151	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"961752"	199.022451	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"114305"	167.011702	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"554958"	233.032852	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1022175"	100.990552	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1244431"	210.961185	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1307974"	213.017172	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1327294"	234.999129	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"920545"	245.027886	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1294336"	281.004564	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1376508"	97.029624	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1384525"	115.0396	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"288220"	265.091876	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"675738"	397.134176	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1354438"	133.049576	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"129880"	133.049576	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"572723"	199.070726	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1042615"	67.028426	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"206141"	89.035476	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"648250"	133.049576	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1165643"	45.021376	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"426729"	282.118423	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"793568"	414.160723	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1689898"	150.076123	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"339273"	141.5628495	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"727318"	207.5839995	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1490637"	75.5416995	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"407858"	287.073818	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"768487"	419.116118	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1617806"	155.031518	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"329543"	144.040547	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"722450"	210.061697	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1475900"	78.019397	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1068058"	52.34869	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1269972"	165.075786	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"388544"	303.047758	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"753198"	435.090058	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1553788"	171.005458	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"312913"	152.027517	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"705698"	218.048667	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1457205"	86.006367	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"247631"	306.118426	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1221798"	174.076126	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1207138"	87.541701	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"203909"	309.05576	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"642249"	441.09806	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1146365"	177.01346	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"187712"	155.031518	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"627026"	221.052668	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1130410"	89.010368	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1413449"	59.676004	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1443249"	179.055046	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"227841"	160.06454	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1518089"	193.10709	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"421052"	163.018488	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"777679"	229.039638	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1674011"	96.997338	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"266368"	328.100368	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1240777"	196.058068	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1728205"	196.081593	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1193924"	67.003318	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1663572"	201.036988	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"166423"	341.00364	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"609263"	473.04594	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1099130"	208.96134	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"156427"	171.005458	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"595622"	237.026608	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1083987"	104.984308	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1115292"	210.975892	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1350337"	211.063507	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1019227"	215.102676	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1537474"	216.096308	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"1003922"	108.054976	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1601951"	217.010928	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1427365"	247.042438	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1155471"	128.568251	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1697372"	264.068985	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1634841"	269.02438	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1571342"	284.99832	"C03589"	"4-Hydroxy-2-oxopentanoate;4-Hydroxy-2-oxovalerate"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"808884"	166.0266	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M"	0
"975243"	147.00821	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-H2O-H"	-19.01839
"64095"	109.677124	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M-3H"	-3.021828
"506938"	165.019324	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M-3H"	-3.021828
"882553"	54.334924	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-3H"	-3.021828
"7689"	165.019324	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M-2H"	-2.014552
"442875"	248.032624	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M-2H"	-2.014552
"820311"	82.006024	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-2H"	-2.014552
"80790"	331.045924	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M-H"	-1.007276
"530080"	497.072524	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M-H"	-1.007276
"905691"	165.019324	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-H"	-1.007276
"55697"	348.072471	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M-2H+NH4"	16.019271
"500369"	514.099071	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M-2H+NH4"	16.019271
"876342"	182.045871	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-2H+NH4"	16.019271
"44974"	353.027866	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M-2H+Na"	20.974666
"484903"	519.054466	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M-2H+Na"	20.974666
"858326"	187.001266	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-2H+Na"	20.974666
"1624576"	187.001266	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Na-2H"	20.974666
"101109"	183.007663	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M-H+Cl"	33.962126
"541763"	266.020963	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M-H+Cl"	33.962126
"928713"	99.994363	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-H+Cl"	33.962126
"268238"	367.022602	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+Cl"	34.969402
"665162"	533.049202	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+Cl"	34.969402
"1278659"	200.996002	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Cl"	34.969402
"17936"	369.001806	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M-2H+K"	36.948606
"458954"	535.028406	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M-2H+K"	36.948606
"838579"	202.975206	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-2H+K"	36.948606
"1562067"	202.975206	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+K-2H"	36.948606
"953230"	211.024794	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-H+HCOOH"	44.998194
"372539"	377.051401	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+HCOOH-H"	44.998201
"351687"	391.067051	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+Hac-H"	59.013851
"1499061"	225.040451	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Hac-H"	59.013851
"962225"	233.006751	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-H+NaCOOH"	66.980151
"114415"	200.996002	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+2Cl"	69.938804
"555431"	284.009302	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+2Cl"	69.938804
"1024960"	117.982702	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2Cl"	69.938804
"1246727"	244.945485	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Br"	78.918885
"1308084"	247.001472	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Cl+HCOOH"	80.974872
"1327404"	268.983429	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Cl+NaCOOH"	102.956829
"920655"	279.012186	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M-H+CF3COOH"	112.985586
"1295540"	314.988864	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Cl+CF3COOH"	148.962264
"1376618"	131.013924	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H-2H2O"	-35.012676
"1385364"	149.0239	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H-H2O"	-17.0027
"290517"	333.060476	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+H"	1.007276
"678203"	499.087076	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+H"	1.007276
"1355642"	167.033876	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H"	1.007276
"130355"	167.033876	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+2H"	2.014552
"572833"	250.047176	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+2H"	2.014552
"1046006"	84.020576	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2H"	2.014552
"209532"	111.691676	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+3H"	3.021828
"647998"	167.033876	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+3H"	3.021828
"1166125"	56.349476	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+3H"	3.021828
"429396"	350.087023	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+NH4"	18.033823
"787105"	516.113623	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+NH4"	18.033823
"1686723"	184.060423	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+NH4"	18.033823
"338286"	175.5471495	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+H+NH4"	19.041099
"730707"	258.5604495	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+H+NH4"	19.041099
"1488916"	92.5338495	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H+NH4"	19.041099
"407602"	355.042418	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+Na"	22.989218
"768596"	521.069018	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+Na"	22.989218
"1617789"	189.015818	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Na"	22.989218
"328919"	178.024847	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+H+Na"	23.996494
"722189"	261.038147	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+H+Na"	23.996494
"1476988"	95.011547	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H+Na"	23.996494
"1066704"	63.67679	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2H+Na"	25.00377
"1267894"	199.060086	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+CH3OH+H"	33.033486
"386467"	371.016358	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+K"	38.963158
"754033"	537.042958	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+K"	38.963158
"1552806"	204.989758	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+K"	38.963158
"313873"	186.011817	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+H+K"	39.970434
"704956"	269.025117	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+H+K"	39.970434
"1458408"	102.998517	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H+K"	39.970434
"243731"	374.087026	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+ACN+H"	42.033826
"1222636"	208.060426	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+ACN+H"	42.033826
"1207248"	104.533851	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+ACN+2H"	43.041102
"203652"	377.02436	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+2Na-H"	44.97116
"643087"	543.05096	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+2Na-H"	44.97116
"1146108"	210.99776	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2Na-H"	44.97116
"187459"	189.015818	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+2Na"	45.978436
"627987"	272.029118	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+2Na"	45.978436
"1131006"	106.002518	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2Na"	45.978436
"1413073"	71.004104	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H+2Na"	46.985712
"1443723"	213.039346	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H+HCOOH"	47.012746
"230138"	194.04884	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+3H2O+2H"	56.04448
"1522208"	227.09139	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+IsoProp+H"	61.06479
"422255"	197.002788	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+Na+K"	61.952376
"781069"	280.016088	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+Na+K"	61.952376
"1677401"	113.989488	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Na+K"	61.952376
"265384"	396.068968	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+ACN+Na"	64.015768
"1240280"	230.042368	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+ACN+Na"	64.015768
"1725518"	230.065893	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+NH4+HCOOH"	64.039293
"1191237"	78.331418	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+3Na"	68.967654
"1658577"	235.021288	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Na+HCOOH"	68.994688
"167625"	408.97224	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+2K-H"	76.91904
"602811"	574.99884	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+2K-H"	76.91904
"1099851"	242.94564	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2K-H"	76.91904
"156538"	204.989758	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"2M+2K"	77.926316
"596828"	288.003058	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"3M+2K"	77.926316
"1083534"	121.976458	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2K"	77.926316
"1115321"	244.960192	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2K+H"	78.933592
"1350936"	245.047807	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+DMSO+H"	79.021207
"1019337"	249.086976	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2ACN+H"	83.060376
"1537584"	250.080608	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+IsoProp+Na+H"	84.054008
"1004032"	125.047126	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+2ACN+2H"	84.067652
"1598535"	250.995228	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+K+HCOOH"	84.968628
"1424194"	281.026738	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+H+CF3COOH"	115.000138
"1155581"	145.560401	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+3ACN+2H"	125.094202
"1698575"	298.053285	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+NH4+CF3COOH"	132.026685
"1635681"	303.00868	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+Na+CF3COOH"	136.98208
"1572428"	318.98262	"C03590"	"4-Hydroxyphenylglyoxylate;4-Hydroxybenzoylformate;4-Hydroxyphenylglyoxylic acid;2-(4-Hydroxyphenyl)-2-oxoacetate"	"C8H6O4"	"166.0266"	"M+K+CF3COOH"	152.95602
"812274"	158.0135	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M"	0
"975965"	138.99511	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-H2O-H"	-19.01839
"63476"	104.335057333333	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M-3H"	-3.021828
"509235"	157.006224	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M-3H"	-3.021828
"883757"	51.6638906666667	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-3H"	-3.021828
"9986"	157.006224	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M-2H"	-2.014552
"441892"	236.012974	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M-2H"	-2.014552
"817871"	77.999474	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-2H"	-2.014552
"79322"	315.019724	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M-H"	-1.007276
"532376"	473.033224	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M-H"	-1.007276
"907987"	157.006224	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-H"	-1.007276
"55804"	332.046271	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M-2H+NH4"	16.019271
"497554"	490.059771	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M-2H+NH4"	16.019271
"877546"	174.032771	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-2H+NH4"	16.019271
"45447"	337.001666	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M-2H+Na"	20.974666
"486755"	495.015166	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M-2H+Na"	20.974666
"859529"	178.988166	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-2H+Na"	20.974666
"1621407"	178.988166	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Na-2H"	20.974666
"101219"	174.994563	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M-H+Cl"	33.962126
"541873"	254.001313	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M-H+Cl"	33.962126
"928094"	95.987813	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-H+Cl"	33.962126
"267984"	350.996402	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+Cl"	34.969402
"665272"	509.009902	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+Cl"	34.969402
"1276582"	192.982902	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Cl"	34.969402
"18409"	352.975606	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M-2H+K"	36.948606
"456266"	510.989106	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M-2H+K"	36.948606
"843061"	194.962106	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-2H+K"	36.948606
"1558894"	194.962106	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+K-2H"	36.948606
"954069"	203.011694	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-H+HCOOH"	44.998194
"372649"	361.025201	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+HCOOH-H"	44.998201
"348880"	375.040851	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+Hac-H"	59.013851
"1496979"	217.027351	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Hac-H"	59.013851
"962697"	224.993651	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-H+NaCOOH"	66.980151
"113792"	192.982902	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+2Cl"	69.938804
"554448"	271.989652	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+2Cl"	69.938804
"1024706"	113.976152	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2Cl"	69.938804
"1245744"	236.932385	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Br"	78.918885
"1308559"	238.988372	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Cl+HCOOH"	80.974872
"1326420"	260.970329	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Cl+NaCOOH"	102.956829
"921859"	270.999086	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M-H+CF3COOH"	112.985586
"1297472"	306.975764	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Cl+CF3COOH"	148.962264
"1375635"	123.000824	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H-2H2O"	-35.012676
"1386932"	141.0108	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H-H2O"	-17.0027
"291720"	317.034276	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+H"	1.007276
"679042"	475.047776	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+H"	1.007276
"1358304"	159.020776	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H"	1.007276
"130101"	159.020776	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+2H"	2.014552
"572579"	238.027526	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+2H"	2.014552
"1046845"	80.014026	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2H"	2.014552
"210735"	106.349609333333	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+3H"	3.021828
"647015"	159.020776	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+3H"	3.021828
"1167328"	53.6784426666667	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+3H"	3.021828
"428413"	334.060823	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+NH4"	18.033823
"787215"	492.074323	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+NH4"	18.033823
"1686833"	176.047323	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+NH4"	18.033823
"339488"	167.5340495	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+H+NH4"	19.041099
"729722"	246.5407995	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+H+NH4"	19.041099
"1483554"	88.5272995	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H+NH4"	19.041099
"405889"	339.016218	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+Na"	22.989218
"767248"	497.029718	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+Na"	22.989218
"1614618"	181.002718	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Na"	22.989218
"328906"	170.011747	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+H+Na"	23.996494
"717073"	249.018497	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+H+Na"	23.996494
"1473080"	91.004997	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H+Na"	23.996494
"1061951"	61.0057566666667	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2H+Na"	25.00377
"1265816"	191.046986	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+CH3OH+H"	33.033486
"388762"	354.990158	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+K"	38.963158
"752930"	513.003658	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+K"	38.963158
"1555225"	196.976658	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+K"	38.963158
"312639"	177.998717	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+H+K"	39.970434
"705427"	257.005467	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+H+K"	39.970434
"1454874"	98.991967	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H+K"	39.970434
"244930"	358.060826	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+ACN+H"	42.033826
"1218733"	200.047326	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+ACN+H"	42.033826
"1204806"	100.527301	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+ACN+2H"	43.041102
"200957"	360.99816	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+2Na-H"	44.97116
"641610"	519.01166	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+2Na-H"	44.97116
"1142200"	202.98466	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2Na-H"	44.97116
"187561"	181.002718	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+2Na"	45.978436
"627603"	260.009468	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+2Na"	45.978436
"1130743"	101.995968	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2Na"	45.978436
"1410621"	68.3330706666667	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H+2Na"	46.985712
"1438362"	205.026246	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H+HCOOH"	47.012746
"232431"	186.03574	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+3H2O+2H"	56.04448
"1519399"	219.07829	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+IsoProp+H"	61.06479
"423095"	188.989688	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+Na+K"	61.952376
"777899"	267.996438	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+Na+K"	61.952376
"1674231"	109.982938	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Na+K"	61.952376
"258563"	380.042768	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+ACN+Na"	64.015768
"1232365"	222.029268	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+ACN+Na"	64.015768
"1716877"	222.052793	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+NH4+HCOOH"	64.039293
"1187700"	75.6603846666667	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+3Na"	68.967654
"1655405"	227.008188	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Na+HCOOH"	68.994688
"167735"	392.94604	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+2K-H"	76.91904
"601827"	550.95954	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+2K-H"	76.91904
"1095089"	234.93254	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2K-H"	76.91904
"154091"	196.976658	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"2M+2K"	77.926316
"594745"	275.983408	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"3M+2K"	77.926316
"1084052"	117.969908	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2K"	77.926316
"1114900"	236.947092	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2K+H"	78.933592
"1351087"	237.034707	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+DMSO+H"	79.021207
"1019568"	241.073876	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2ACN+H"	83.060376
"1539033"	242.067508	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+IsoProp+Na+H"	84.054008
"1003049"	121.040576	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+2ACN+2H"	84.067652
"1601807"	242.982128	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+K+HCOOH"	84.968628
"1427585"	273.013638	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+H+CF3COOH"	115.000138
"1158972"	141.553851	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+3ACN+2H"	125.094202
"1699779"	290.040185	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+NH4+CF3COOH"	132.026685
"1635791"	294.99558	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+Na+CF3COOH"	136.98208
"1573267"	310.96952	"C03591"	"5-Chloro-3-methylcatechol"	"C7H7ClO2"	"158.0135"	"M+K+CF3COOH"	152.95602
"812384"	241.1063	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M"	0
"974982"	222.08791	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-H2O-H"	-19.01839
"63587"	159.730257333333	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M-3H"	-3.021828
"506065"	240.099024	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M-3H"	-3.021828
"882774"	79.3614906666667	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-3H"	-3.021828
"10097"	240.099024	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M-2H"	-2.014552
"445283"	360.652174	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M-2H"	-2.014552
"823084"	119.545874	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-2H"	-2.014552
"79798"	481.205324	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M-H"	-1.007276
"529206"	722.311624	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M-H"	-1.007276
"905911"	240.099024	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-H"	-1.007276
"55915"	498.231871	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M-2H+NH4"	16.019271
"499850"	739.338171	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M-2H+NH4"	16.019271
"877293"	257.125571	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-2H+NH4"	16.019271
"45559"	503.187266	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M-2H+Na"	20.974666
"485487"	744.293566	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M-2H+Na"	20.974666
"857452"	262.080966	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-2H+Na"	20.974666
"1621517"	262.080966	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Na-2H"	20.974666
"101329"	258.087363	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M-H+Cl"	33.962126
"541983"	378.640513	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M-H+Cl"	33.962126
"928204"	137.534213	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-H+Cl"	33.962126
"267732"	517.182002	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+Cl"	34.969402
"667569"	758.288302	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+Cl"	34.969402
"1276692"	276.075702	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Cl"	34.969402
"18519"	519.161206	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M-2H+K"	36.948606
"455780"	760.267506	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M-2H+K"	36.948606
"840984"	278.054906	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-2H+K"	36.948606
"1559369"	278.054906	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+K-2H"	36.948606
"954909"	286.104494	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-H+HCOOH"	44.998194
"372759"	527.210801	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+HCOOH-H"	44.998201
"348990"	541.226451	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+Hac-H"	59.013851
"1495633"	300.120151	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Hac-H"	59.013851
"960988"	308.086451	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-H+NaCOOH"	66.980151
"112447"	276.075702	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+2Cl"	69.938804
"552736"	396.628852	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+2Cl"	69.938804
"1023358"	155.522552	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2Cl"	69.938804
"1242937"	320.025185	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Br"	78.918885
"1307576"	322.081172	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Cl+HCOOH"	80.974872
"1324343"	344.063129	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Cl+NaCOOH"	102.956829
"923063"	354.091886	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M-H+CF3COOH"	112.985586
"1297582"	390.068564	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Cl+CF3COOH"	148.962264
"1376474"	206.093624	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H-2H2O"	-35.012676
"1388865"	224.1036	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H-H2O"	-17.0027
"291830"	483.219876	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+H"	1.007276
"684255"	724.326176	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+H"	1.007276
"1357322"	242.113576	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H"	1.007276
"130211"	242.113576	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+2H"	2.014552
"574146"	362.666726	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+2H"	2.014552
"1045862"	121.560426	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2H"	2.014552
"209752"	161.744809333333	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+3H"	3.021828
"647489"	242.113576	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+3H"	3.021828
"1164523"	81.3760426666667	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+3H"	3.021828
"426337"	500.246423	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+NH4"	18.033823
"788419"	741.352723	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+NH4"	18.033823
"1684751"	259.140123	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+NH4"	18.033823
"337411"	250.6268495	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+H+NH4"	19.041099
"726551"	371.1799995	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+H+NH4"	19.041099
"1486943"	130.0736995	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H+NH4"	19.041099
"405633"	505.201818	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+Na"	22.989218
"768454"	746.308118	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+Na"	22.989218
"1617647"	264.095518	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Na"	22.989218
"329140"	253.104547	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+H+Na"	23.996494
"720221"	373.657697	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+H+Na"	23.996494
"1473190"	132.551397	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H+Na"	23.996494
"1067287"	88.7033566666667	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2H+Na"	25.00377
"1270298"	274.139786	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+CH3OH+H"	33.033486
"388872"	521.175758	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+K"	38.963158
"753651"	762.282058	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+K"	38.963158
"1555298"	280.069458	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+K"	38.963158
"313114"	261.091517	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+H+K"	39.970434
"706268"	381.644667	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+H+K"	39.970434
"1460088"	140.538367	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H+K"	39.970434
"250145"	524.246426	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+ACN+H"	42.033826
"1225040"	283.140126	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+ACN+H"	42.033826
"1208201"	142.073701	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+ACN+2H"	43.041102
"200703"	527.18376	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+2Na-H"	44.97116
"642575"	768.29006	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+2Na-H"	44.97116
"1146318"	286.07746	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2Na-H"	44.97116
"186700"	264.095518	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+2Na"	45.978436
"627595"	384.648668	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+2Na"	45.978436
"1130004"	143.542368	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2Na"	45.978436
"1411460"	96.0306706666667	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H+2Na"	46.985712
"1442480"	288.119046	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H+HCOOH"	47.012746
"232541"	269.12854	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+3H2O+2H"	56.04448
"1521695"	302.17109	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+IsoProp+H"	61.06479
"422112"	272.082488	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+Na+K"	61.952376
"780196"	392.635638	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+Na+K"	61.952376
"1676528"	151.529338	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Na+K"	61.952376
"258673"	546.228368	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+ACN+Na"	64.015768
"1233568"	305.122068	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+ACN+Na"	64.015768
"1716987"	305.145593	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+NH4+HCOOH"	64.039293
"1186715"	103.357984666667	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+3Na"	68.967654
"1653328"	310.100988	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Na+HCOOH"	68.994688
"161283"	559.13164	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+2K-H"	76.91904
"599750"	800.23794	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+2K-H"	76.91904
"1094104"	318.02534	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2K-H"	76.91904
"144360"	280.069458	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"2M+2K"	77.926316
"585014"	400.622608	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"3M+2K"	77.926316
"1080462"	159.516308	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2K"	77.926316
"1112577"	320.039892	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2K+H"	78.933592
"1350545"	320.127507	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+DMSO+H"	79.021207
"1018584"	324.166676	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2ACN+H"	83.060376
"1536710"	325.160308	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+IsoProp+Na+H"	84.054008
"1004739"	162.586976	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+2ACN+2H"	84.067652
"1597663"	326.074928	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+K+HCOOH"	84.968628
"1425508"	356.106438	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+H+CF3COOH"	115.000138
"1155801"	183.100251	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+3ACN+2H"	125.094202
"1700982"	373.132985	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+NH4+CF3COOH"	132.026685
"1634928"	378.08838	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+Na+CF3COOH"	136.98208
"1573741"	394.06232	"C03592"	"5-Methyl-2-deoxycytidine"	"C10H15N3O4"	"241.1063"	"M+K+CF3COOH"	152.95602
"805934"	402.3498	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M"	0
"974999"	383.33141	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"63485"	267.225924	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"503136"	401.342524	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"883977"	133.109324	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"8019"	401.342524	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"445393"	602.517424	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"821007"	200.167624	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"79178"	803.692324	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"529316"	1206.042124	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"901648"	401.342524	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"56026"	820.718871	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"497411"	1223.068671	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"875215"	418.369071	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"43116"	825.674266	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"485235"	1228.024066	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"858656"	423.324466	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1622720"	423.324466	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"103992"	419.330863	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"545010"	620.505763	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"930138"	218.155963	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"268451"	839.669002	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"664763"	1242.018802	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1275708"	437.319202	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"17533"	841.648206	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"455788"	1243.998006	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"834897"	439.298406	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1558385"	439.298406	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"943838"	447.347994	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"364849"	849.697801	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"345725"	863.713451	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1492819"	461.363651	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"959152"	469.329951	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"111219"	437.319202	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"550536"	638.494102	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1021380"	236.144302	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1241346"	481.268685	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1309508"	483.324672	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1323724"	505.306629	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"923172"	515.335386	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1299515"	551.312064	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1375856"	367.337124	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1390069"	385.3471	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"290847"	805.706876	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"684365"	1208.056676	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1357432"	403.357076	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"130321"	403.357076	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"574256"	604.531976	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1045972"	202.182176	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"208768"	269.240476	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"648328"	403.357076	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1163297"	135.123876	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"427539"	822.733423	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"789257"	1225.083223	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1685954"	420.383623	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"333148"	411.8703495	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"725567"	613.0452495	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1483774"	210.6954495	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"405015"	827.688818	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"768199"	1230.038618	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1613741"	425.339018	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"328399"	414.348047	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"721795"	615.522947	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1474759"	213.173147	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1066183"	142.45119	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1268952"	435.383286	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"387889"	843.662758	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"752544"	1246.012558	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1554230"	441.312958	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"311766"	422.335017	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"706016"	623.509917	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1459834"	221.160117	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"248799"	846.733426	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1223332"	444.383626	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1207580"	222.695451	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"201177"	849.67076	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"641467"	1252.02056	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1144607"	447.32096	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"186806"	425.339018	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"626612"	626.513918	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1127683"	224.164118	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1411208"	149.778504	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1441862"	449.362546	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"231923"	430.37204	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1519620"	463.41459	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"420035"	433.325988	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"780306"	634.500888	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1676638"	232.151088	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"258783"	868.715368	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1227117"	466.365568	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1716000"	466.389093	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1180263"	157.105818	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1650886"	471.344488	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"161393"	881.61864	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"598277"	1283.96844	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1090934"	479.26884	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"144470"	441.312958	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"585124"	642.487858	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1080572"	240.138058	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1112687"	481.283392	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1350047"	481.371007	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1020397"	485.410176	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1535727"	486.403808	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"1004970"	243.208726	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1600932"	487.318428	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1424525"	517.349938	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1155911"	263.722001	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1701092"	534.376485	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1634917"	539.33188	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1573851"	555.30582	"C03594"	"7alpha-Hydroxycholesterol;Cholest-5-ene-3beta7alpha-diol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"806044"	1055.3605	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M"	0
"974833"	1036.34211	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H2O-H"	-19.01839
"63436"	702.566390666667	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-3H"	-3.021828
"504462"	1054.353224	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-3H"	-3.021828
"884087"	350.779557333333	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-3H"	-3.021828
"8129"	1054.353224	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H"	-2.014552
"445503"	1582.033474	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H"	-2.014552
"821117"	526.672974	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H"	-2.014552
"80503"	2109.713724	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-H"	-1.007276
"529426"	3165.074224	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-H"	-1.007276
"902851"	1054.353224	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H"	-1.007276
"56136"	2126.740271	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+NH4"	16.019271
"499707"	3182.100771	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+NH4"	16.019271
"876299"	1071.379771	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+NH4"	16.019271
"44320"	2131.695666	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+Na"	20.974666
"486317"	3187.056166	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+Na"	20.974666
"859496"	1076.335166	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+Na"	20.974666
"1622830"	1076.335166	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na-2H"	20.974666
"104466"	1072.341563	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-H+Cl"	33.962126
"544390"	1600.021813	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-H+Cl"	33.962126
"929154"	544.661313	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+Cl"	33.962126
"269168"	2145.690402	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Cl"	34.969402
"663779"	3201.050902	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Cl"	34.969402
"1275818"	1090.329902	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl"	34.969402
"15994"	2147.669606	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+K"	36.948606
"455889"	3203.030106	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+K"	36.948606
"835007"	1092.309106	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+K"	36.948606
"1557401"	1092.309106	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K-2H"	36.948606
"943827"	1100.358694	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+HCOOH"	44.998194
"366052"	2155.719201	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+HCOOH-H"	44.998201
"347750"	2169.734851	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Hac-H"	59.013851
"1493177"	1114.374351	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Hac-H"	59.013851
"960842"	1122.340651	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+NaCOOH"	66.980151
"111328"	1090.329902	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Cl"	69.938804
"550887"	1618.010152	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Cl"	69.938804
"1021546"	562.649652	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Cl"	69.938804
"1242913"	1134.279385	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Br"	78.918885
"1304286"	1136.335372	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+HCOOH"	80.974872
"1322009"	1158.317329	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+NaCOOH"	102.956829
"921096"	1168.346086	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+CF3COOH"	112.985586
"1299989"	1204.322764	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+CF3COOH"	148.962264
"1379246"	1020.347824	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H-2H2O"	-35.012676
"1387992"	1038.3578	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H-H2O"	-17.0027
"287677"	2111.728276	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H"	1.007276
"684475"	3167.088776	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H"	1.007276
"1354626"	1056.367776	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H"	1.007276
"129702"	1056.367776	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2H"	2.014552
"570357"	1584.048026	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2H"	2.014552
"1045353"	528.687526	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2H"	2.014552
"206692"	704.580942666667	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+3H"	3.021828
"645644"	1056.367776	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+3H"	3.021828
"1164379"	352.794109333333	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3H"	3.021828
"425705"	2128.754823	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+NH4"	18.033823
"789003"	3184.115323	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+NH4"	18.033823
"1686428"	1073.394323	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4"	18.033823
"332164"	1064.8810495	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+NH4"	19.041099
"726770"	1592.5612995	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+NH4"	19.041099
"1487164"	537.2007995	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+NH4"	19.041099
"399280"	2133.710218	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Na"	22.989218
"768308"	3189.070718	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Na"	22.989218
"1616037"	1078.349718	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na"	22.989218
"328265"	1067.358747	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+Na"	23.996494
"722267"	1595.038997	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+Na"	23.996494
"1474140"	539.678497	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+Na"	23.996494
"1063375"	360.121423333333	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2H+Na"	25.00377
"1270519"	1088.393986	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+CH3OH+H"	33.033486
"387999"	2149.684158	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+K"	38.963158
"753017"	3205.044658	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+K"	38.963158
"1554704"	1094.323658	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K"	38.963158
"311876"	1075.345717	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+K"	39.970434
"705398"	1603.025967	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+K"	39.970434
"1459943"	547.665467	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+K"	39.970434
"249639"	2152.754826	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+ACN+H"	42.033826
"1224537"	1097.394326	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+H"	42.033826
"1208419"	549.200801	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+2H"	43.041102
"201652"	2155.69216	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Na-H"	44.97116
"642306"	3211.05266	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Na-H"	44.97116
"1145081"	1100.33166	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Na-H"	44.97116
"187404"	1078.349718	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Na"	45.978436
"627817"	1606.029968	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Na"	45.978436
"1128887"	550.669468	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Na"	45.978436
"1411682"	367.448737333333	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+2Na"	46.985712
"1442701"	1102.373246	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+HCOOH"	47.012746
"231669"	1083.38274	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+3H2O+2H"	56.04448
"1519730"	1116.42529	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+IsoProp+H"	61.06479
"420509"	1086.336688	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Na+K"	61.952376
"780416"	1614.016938	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Na+K"	61.952376
"1677841"	558.656438	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+K"	61.952376
"259986"	2174.736768	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+ACN+Na"	64.015768
"1231600"	1119.376268	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+Na"	64.015768
"1716112"	1119.399793	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4+HCOOH"	64.039293
"1182560"	374.776051333333	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3Na"	68.967654
"1651479"	1124.355188	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+HCOOH"	68.994688
"161503"	2187.64004	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2K-H"	76.91904
"598267"	3243.00054	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2K-H"	76.91904
"1092137"	1132.27954	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K-H"	76.91904
"144580"	1094.323658	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2K"	77.926316
"586327"	1622.003908	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2K"	77.926316
"1076307"	566.643408	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K"	77.926316
"1113649"	1134.294092	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K+H"	78.933592
"1350404"	1134.381707	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+DMSO+H"	79.021207
"1020386"	1138.420876	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2ACN+H"	83.060376
"1539486"	1139.414508	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+IsoProp+Na+H"	84.054008
"1004474"	569.714076	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2ACN+2H"	84.067652
"1601163"	1140.329128	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K+HCOOH"	84.968628
"1424635"	1170.360638	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+CF3COOH"	115.000138
"1153834"	590.227351	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3ACN+2H"	125.094202
"1703388"	1187.387185	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4+CF3COOH"	132.026685
"1635028"	1192.34258	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+CF3COOH"	136.98208
"1573597"	1208.31652	"C03595"	"81114-Eicosatrienoyl-CoA;81114-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosatrienoyl-CoA;(8Z11Z14Z)-Icosa-81114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K+CF3COOH"	152.95602
"806155"	533.0812	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M"	0
"974251"	514.06281	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-H2O-H"	-19.01839
"62882"	354.380190666667	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M-3H"	-3.021828
"503353"	532.073924	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M-3H"	-3.021828
"880916"	176.686457333333	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-3H"	-3.021828
"1677"	532.073924	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M-2H"	-2.014552
"444516"	798.614524	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M-2H"	-2.014552
"822324"	265.533324	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-2H"	-2.014552
"84503"	1065.155124	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M-H"	-1.007276
"520049"	1598.236324	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M-H"	-1.007276
"909161"	532.073924	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-H"	-1.007276
"57339"	1082.181671	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+NH4"	16.019271
"500183"	1615.262871	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+NH4"	16.019271
"875797"	549.100471	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-2H+NH4"	16.019271
"44797"	1087.137066	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+Na"	20.974666
"481074"	1620.218266	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+Na"	20.974666
"854501"	554.055866	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-2H+Na"	20.974666
"1622939"	554.055866	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Na-2H"	20.974666
"95699"	550.062263	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M-H+Cl"	33.962126
"535750"	816.602863	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M-H+Cl"	33.962126
"928411"	283.521663	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-H+Cl"	33.962126
"274385"	1101.131802	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+Cl"	34.969402
"663889"	1634.213002	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+Cl"	34.969402
"1274225"	568.050602	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Cl"	34.969402
"16043"	1103.111006	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+K"	36.948606
"456705"	1636.192206	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+K"	36.948606
"834021"	570.029806	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-2H+K"	36.948606
"1556903"	570.029806	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+K-2H"	36.948606
"943572"	578.079394	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-H+HCOOH"	44.998194
"367623"	1111.160601	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+HCOOH-H"	44.998201
"346765"	1125.176251	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+Hac-H"	59.013851
"1493775"	592.095051	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Hac-H"	59.013851
"960223"	600.061351	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-H+NaCOOH"	66.980151
"111073"	568.050602	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+2Cl"	69.938804
"550999"	834.591202	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+2Cl"	69.938804
"1021859"	301.510002	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2Cl"	69.938804
"1243268"	612.000085	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Br"	78.918885
"1304372"	614.056072	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+HCOOH"	80.974872
"1333431"	636.038029	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+NaCOOH"	102.956829
"921208"	646.066786	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M-H+CF3COOH"	112.985586
"1296823"	682.043464	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+CF3COOH"	148.962264
"1377170"	498.068524	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H-2H2O"	-35.012676
"1388103"	516.0785	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H-H2O"	-17.0027
"294354"	1067.169676	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+H"	1.007276
"682399"	1600.250876	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+H"	1.007276
"1357654"	534.088476	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H"	1.007276
"127261"	534.088476	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+2H"	2.014552
"566455"	800.629076	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+2H"	2.014552
"1038537"	267.547876	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2H"	2.014552
"206073"	356.394742666667	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+3H"	3.021828
"645267"	534.088476	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+3H"	3.021828
"1165578"	178.701009333333	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+3H"	3.021828
"425570"	1084.196223	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+NH4"	18.033823
"789844"	1617.277423	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+NH4"	18.033823
"1682903"	551.115023	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+NH4"	18.033823
"331179"	542.6017495	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+H+NH4"	19.041099
"732361"	809.1423495	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+H+NH4"	19.041099
"1487275"	276.0611495	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H+NH4"	19.041099
"404870"	1089.151618	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+Na"	22.989218
"766232"	1622.232818	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+Na"	22.989218
"1616514"	556.070418	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Na"	22.989218
"325091"	545.079447	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+H+Na"	23.996494
"720793"	811.620047	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+H+Na"	23.996494
"1471336"	278.538847	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H+Na"	23.996494
"1063487"	186.028323333333	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2H+Na"	25.00377
"1269538"	566.114686	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+CH3OH+H"	33.033486
"389214"	1105.125558	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+K"	38.963158
"753125"	1638.206758	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+K"	38.963158
"1553964"	572.044358	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+K"	38.963158
"312722"	553.066417	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+H+K"	39.970434
"705509"	819.607017	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+H+K"	39.970434
"1460056"	286.525817	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H+K"	39.970434
"249749"	1108.196226	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+H"	42.033826
"1223549"	575.115026	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+H"	42.033826
"1208288"	288.061151	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+2H"	43.041102
"202981"	1111.13356	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na-H"	44.97116
"643024"	1644.21476	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na-H"	44.97116
"1145440"	578.05236	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2Na-H"	44.97116
"186907"	556.070418	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na"	45.978436
"627925"	822.611018	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na"	45.978436
"1130539"	289.529818	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2Na"	45.978436
"1406689"	193.355637333333	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H+2Na"	46.985712
"1442814"	580.093946	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H+HCOOH"	47.012746
"228497"	561.10344	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+3H2O+2H"	56.04448
"1519839"	594.14599	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+H"	61.06479
"419528"	564.057388	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+Na+K"	61.952376
"779434"	830.597988	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+Na+K"	61.952376
"1674669"	297.516788	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Na+K"	61.952376
"255721"	1130.178168	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+Na"	64.015768
"1228065"	597.096968	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+Na"	64.015768
"1717317"	597.120493	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+HCOOH"	64.039293
"1182673"	200.682951333333	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+3Na"	68.967654
"1651470"	602.075888	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Na+HCOOH"	68.994688
"159427"	1143.08144	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+2K-H"	76.91904
"607737"	1676.16264	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+2K-H"	76.91904
"1088968"	610.00024	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2K-H"	76.91904
"144690"	572.044358	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"2M+2K"	77.926316
"583886"	838.584958	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"3M+2K"	77.926316
"1072044"	305.503758	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2K"	77.926316
"1108534"	612.014792	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2K+H"	78.933592
"1346012"	612.102407	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+DMSO+H"	79.021207
"1016729"	616.141576	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+H"	83.060376
"1532668"	617.135208	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+Na+H"	84.054008
"998021"	308.574426	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+2H"	84.067652
"1594711"	618.049828	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+K+HCOOH"	84.968628
"1420375"	648.081338	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+H+CF3COOH"	115.000138
"1155042"	329.087701	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+3ACN+2H"	125.094202
"1701312"	665.107885	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+CF3COOH"	132.026685
"1635868"	670.06328	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+Na+CF3COOH"	136.98208
"1579177"	686.03722	"C03598"	"CDP-36-dideoxy-D-glucose;CDPparatose;CDP-alpha-D-paratose"	"C15H25N3O14P2"	"533.0812"	"M+K+CF3COOH"	152.95602
"807358"	533.0812	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M"	0
"974408"	514.06281	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-H2O-H"	-19.01839
"63008"	354.380190666667	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M-3H"	-3.021828
"503586"	532.073924	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M-3H"	-3.021828
"881022"	176.686457333333	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-3H"	-3.021828
"1784"	532.073924	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M-2H"	-2.014552
"444626"	798.614524	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M-2H"	-2.014552
"822434"	265.533324	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-2H"	-2.014552
"80240"	1065.155124	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M-H"	-1.007276
"522345"	1598.236324	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M-H"	-1.007276
"906354"	532.073924	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-H"	-1.007276
"58542"	1082.181671	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+NH4"	16.019271
"497010"	1615.262871	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+NH4"	16.019271
"874812"	549.100471	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-2H+NH4"	16.019271
"46243"	1087.137066	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+Na"	20.974666
"480090"	1620.218266	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+Na"	20.974666
"854610"	554.055866	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-2H+Na"	20.974666
"1623049"	554.055866	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Na-2H"	20.974666
"96662"	550.062263	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M-H+Cl"	33.962126
"536953"	816.602863	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M-H+Cl"	33.962126
"927547"	283.521663	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-H+Cl"	33.962126
"275588"	1101.131802	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+Cl"	34.969402
"663635"	1634.213002	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+Cl"	34.969402
"1274336"	568.050602	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Cl"	34.969402
"15949"	1103.111006	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+K"	36.948606
"456087"	1636.192206	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+K"	36.948606
"834254"	570.029806	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-2H+K"	36.948606
"1557013"	570.029806	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+K-2H"	36.948606
"944776"	578.079394	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-H+HCOOH"	44.998194
"367734"	1111.160601	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+HCOOH-H"	44.998201
"347603"	1125.176251	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+Hac-H"	59.013851
"1494249"	592.095051	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Hac-H"	59.013851
"959725"	600.061351	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-H+NaCOOH"	66.980151
"110494"	568.050602	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+2Cl"	69.938804
"550988"	834.591202	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+2Cl"	69.938804
"1022010"	301.510002	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2Cl"	69.938804
"1242277"	612.000085	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Br"	78.918885
"1304487"	614.056072	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+HCOOH"	80.974872
"1326974"	636.038029	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+NaCOOH"	102.956829
"920221"	646.066786	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M-H+CF3COOH"	112.985586
"1293649"	682.043464	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+CF3COOH"	148.962264
"1371809"	498.068524	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H-2H2O"	-35.012676
"1388213"	516.0785	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H-H2O"	-17.0027
"287900"	1067.169676	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+H"	1.007276
"682509"	1600.250876	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+H"	1.007276
"1357764"	534.088476	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H"	1.007276
"125791"	534.088476	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+2H"	2.014552
"568023"	800.629076	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+2H"	2.014552
"1039012"	267.547876	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2H"	2.014552
"206912"	356.394742666667	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+3H"	3.021828
"644768"	534.088476	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+3H"	3.021828
"1165688"	178.701009333333	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+3H"	3.021828
"424951"	1084.196223	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+NH4"	18.033823
"791047"	1617.277423	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+NH4"	18.033823
"1685199"	551.115023	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+NH4"	18.033823
"332382"	542.6017495	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+H+NH4"	19.041099
"734656"	809.1423495	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+H+NH4"	19.041099
"1486291"	276.0611495	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H+NH4"	19.041099
"406798"	1089.151618	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+Na"	22.989218
"768520"	1622.232818	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+Na"	22.989218
"1615895"	556.070418	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Na"	22.989218
"325202"	545.079447	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+H+Na"	23.996494
"720902"	811.620047	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+H+Na"	23.996494
"1474726"	278.538847	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H+Na"	23.996494
"1066512"	186.028323333333	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2H+Na"	25.00377
"1267460"	566.114686	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+CH3OH+H"	33.033486
"391511"	1105.125558	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+K"	38.963158
"753238"	1638.206758	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+K"	38.963158
"1554555"	572.044358	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+K"	38.963158
"313926"	553.066417	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+H+K"	39.970434
"706226"	819.607017	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+H+K"	39.970434
"1460975"	286.525817	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H+K"	39.970434
"250953"	1108.196226	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+H"	42.033826
"1224023"	575.115026	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+H"	42.033826
"1208639"	288.061151	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+2H"	43.041102
"203579"	1111.13356	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na-H"	44.97116
"642162"	1644.21476	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na-H"	44.97116
"1146689"	578.05236	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2Na-H"	44.97116
"188374"	556.070418	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na"	45.978436
"628322"	822.611018	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na"	45.978436
"1130932"	289.529818	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2Na"	45.978436
"1407892"	193.355637333333	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H+2Na"	46.985712
"1442194"	580.093946	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H+HCOOH"	47.012746
"230794"	561.10344	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+3H2O+2H"	56.04448
"1521042"	594.14599	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+H"	61.06479
"418545"	564.057388	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+Na+K"	61.952376
"778451"	830.597988	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+Na+K"	61.952376
"1671499"	297.516788	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Na+K"	61.952376
"255831"	1130.178168	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+Na"	64.015768
"1228540"	597.096968	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+Na"	64.015768
"1717427"	597.120493	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+HCOOH"	64.039293
"1181689"	200.682951333333	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+3Na"	68.967654
"1652675"	602.075888	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Na+HCOOH"	68.994688
"160630"	1143.08144	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+2K-H"	76.91904
"600189"	1676.16264	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+2K-H"	76.91904
"1089078"	610.00024	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2K-H"	76.91904
"143097"	572.044358	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"2M+2K"	77.926316
"586548"	838.584958	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"3M+2K"	77.926316
"1073248"	305.503758	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2K"	77.926316
"1108644"	612.014792	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2K+H"	78.933592
"1346122"	612.102407	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+DMSO+H"	79.021207
"1014651"	616.141576	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+H"	83.060376
"1531686"	617.135208	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+Na+H"	84.054008
"1000318"	308.574426	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+2H"	84.067652
"1598101"	618.049828	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+K+HCOOH"	84.968628
"1418299"	648.081338	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+H+CF3COOH"	115.000138
"1155152"	329.087701	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+3ACN+2H"	125.094202
"1701422"	665.107885	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+CF3COOH"	132.026685
"1635978"	670.06328	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+Na+CF3COOH"	136.98208
"1579287"	686.03722	"C03599"	"CDP-36-dideoxy-D-mannose;CDPtyvelose"	"C15H25N3O14P2"	"533.0812"	"M+K+CF3COOH"	152.95602
"806375"	192.027	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M"	0
"975167"	173.00861	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"63199"	127.010724	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"503283"	191.019724	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"880437"	63.001724	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"471"	191.019724	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"440361"	287.033224	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"818172"	95.006224	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"78849"	383.046724	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"519170"	575.073724	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"897338"	191.019724	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"48068"	400.073271	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"487344"	592.100271	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"873465"	208.046271	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"45991"	405.028666	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"480200"	597.055666	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"854720"	213.001666	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1623159"	213.001666	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"96408"	209.008063	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"542531"	305.021563	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"929849"	112.994563	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"267152"	419.023402	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"660038"	611.050402	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1272805"	226.996402	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"15768"	421.002606	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"455900"	613.029606	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"832932"	228.975606	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1555737"	228.975606	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"943099"	237.025194	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"367844"	429.052201	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"346295"	443.067851	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1493103"	251.040851	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"959471"	259.007151	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"110688"	226.996402	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"553286"	323.009902	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1021713"	130.982902	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1241334"	270.945885	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1304339"	273.001872	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1325991"	294.983829	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"919238"	305.012586	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1294852"	340.989264	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1371919"	157.014324	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1390510"	175.0243	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"288010"	385.061276	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"682619"	577.088276	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1355687"	193.034276	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H"	1.007276
"126022"	193.034276	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"567040"	289.047776	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1038145"	97.020776	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"207022"	129.025276	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"647675"	193.034276	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1166892"	65.016276	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"424818"	402.087823	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"788972"	594.114823	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1685309"	210.060823	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"331399"	201.5475495	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"733673"	297.5610495	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1486401"	105.5340495	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"403992"	407.043218	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"763892"	599.070218	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1613080"	215.016218	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"326402"	204.025247	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"721739"	300.038747	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1476533"	108.011747	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1065889"	72.34359	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1267568"	225.060486	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"388339"	423.017158	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"754174"	615.044158	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1552113"	230.990158	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+K"	38.963158
"314122"	212.012217	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"707039"	308.025717	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1459909"	115.998717	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"250331"	426.087826	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1224861"	234.060826	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1209238"	117.534051	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"204179"	429.02516	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"640449"	621.05216	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1146798"	236.99816	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"187005"	215.016218	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"626685"	311.029718	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1128853"	119.002718	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1408002"	79.670904	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1441940"	239.039746	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"228717"	220.04924	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1521152"	253.09179	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"418655"	223.003188	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"774182"	319.016688	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1667231"	126.989688	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"253754"	448.069768	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1228650"	256.042768	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1713202"	256.066293	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1179610"	86.998218	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1651689"	261.021688	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"158553"	460.97304	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"598476"	653.00004	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1088094"	268.94604	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"143083"	230.990158	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"583742"	327.003658	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1073358"	134.976658	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1105474"	270.960592	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1345139"	271.048207	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1011481"	275.087376	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1529608"	276.081008	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"1000428"	138.047326	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1598211"	276.995628	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1418409"	307.027138	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1156355"	158.560601	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1701532"	324.053685	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1634507"	329.00908	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1579397"	344.98302	"C03600"	"Carboxymethyloxysuccinate;(Carboxymethoxy) succinic acid"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"806485"	364.0229	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M"	0
"975034"	345.00451	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-H2O-H"	-19.01839
"66072"	241.674657333333	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M-3H"	-3.021828
"503400"	363.015624	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M-3H"	-3.021828
"884527"	120.333690666667	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-3H"	-3.021828
"7476"	363.015624	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M-2H"	-2.014552
"442664"	545.027074	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M-2H"	-2.014552
"819375"	181.004174	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-2H"	-2.014552
"79488"	727.038524	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M-H"	-1.007276
"520010"	1091.061424	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M-H"	-1.007276
"897812"	363.015624	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-H"	-1.007276
"49148"	744.065071	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M-2H+NH4"	16.019271
"487500"	1108.087971	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M-2H+NH4"	16.019271
"875761"	380.042171	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-2H+NH4"	16.019271
"44761"	749.020466	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M-2H+Na"	20.974666
"480310"	1113.043366	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M-2H+Na"	20.974666
"852643"	384.997566	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-2H+Na"	20.974666
"1623269"	384.997566	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Na-2H"	20.974666
"96518"	381.003963	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M-H+Cl"	33.962126
"534260"	563.015413	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M-H+Cl"	33.962126
"927316"	198.992513	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-H+Cl"	33.962126
"267776"	763.015202	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+Cl"	34.969402
"660151"	1127.038102	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+Cl"	34.969402
"1273127"	398.992302	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Cl"	34.969402
"15966"	764.994406	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M-2H+K"	36.948606
"455781"	1129.017306	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M-2H+K"	36.948606
"832911"	400.971506	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-2H+K"	36.948606
"1556497"	400.971506	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+K-2H"	36.948606
"943044"	409.021094	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-H+HCOOH"	44.998194
"364674"	773.044001	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+HCOOH-H"	44.998201
"346728"	787.059651	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+Hac-H"	59.013851
"1493977"	423.036751	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Hac-H"	59.013851
"958770"	431.003051	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-H+NaCOOH"	66.980151
"111648"	398.992302	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+2Cl"	69.938804
"553396"	581.003752	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+2Cl"	69.938804
"1022193"	216.980852	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2Cl"	69.938804
"1241649"	442.941785	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Br"	78.918885
"1305072"	444.997772	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Cl+HCOOH"	80.974872
"1326101"	466.979729	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Cl+NaCOOH"	102.956829
"921535"	477.008486	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M-H+CF3COOH"	112.985586
"1298242"	512.985164	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Cl+CF3COOH"	148.962264
"1369842"	329.010224	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H-2H2O"	-35.012676
"1390620"	347.0202	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H-H2O"	-17.0027
"288120"	729.053076	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+H"	1.007276
"679449"	1093.075976	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+H"	1.007276
"1353610"	365.030176	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H"	1.007276
"126618"	365.030176	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+2H"	2.014552
"566785"	547.041626	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+2H"	2.014552
"1038619"	183.018726	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2H"	2.014552
"205913"	243.689209333333	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+3H"	3.021828
"645110"	365.030176	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+3H"	3.021828
"1167003"	122.348242666667	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+3H"	3.021828
"426264"	746.079623	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+NH4"	18.033823
"787987"	1110.102523	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+NH4"	18.033823
"1687606"	382.056723	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+NH4"	18.033823
"332604"	373.5434495	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+H+NH4"	19.041099
"733783"	555.5548995	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+H+NH4"	19.041099
"1486510"	191.5319995	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H+NH4"	19.041099
"403737"	751.035018	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+Na"	22.989218
"765460"	1115.057918	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+Na"	22.989218
"1611003"	387.012118	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Na"	22.989218
"328943"	376.021147	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+H+Na"	23.996494
"720999"	558.032597	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+H+Na"	23.996494
"1471658"	194.009697	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H+Na"	23.996494
"1060527"	129.675556666667	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2H+Na"	25.00377
"1265491"	397.056386	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+CH3OH+H"	33.033486
"387356"	767.008958	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+K"	38.963158
"751996"	1131.031858	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+K"	38.963158
"1554047"	402.986058	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+K"	38.963158
"311591"	384.008117	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+H+K"	39.970434
"705470"	566.019567	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+H+K"	39.970434
"1460628"	201.996667	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H+K"	39.970434
"250931"	770.079626	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+ACN+H"	42.033826
"1222784"	406.056726	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+ACN+H"	42.033826
"1208131"	203.532001	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+ACN+2H"	43.041102
"203189"	773.01696	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+2Na-H"	44.97116
"641775"	1137.03986	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+2Na-H"	44.97116
"1146624"	408.99406	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2Na-H"	44.97116
"186386"	387.012118	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+2Na"	45.978436
"623999"	569.023568	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+2Na"	45.978436
"1128599"	205.000668	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2Na"	45.978436
"1411028"	137.002870666667	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H+2Na"	46.985712
"1443390"	411.035646	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H+HCOOH"	47.012746
"234543"	392.04514	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+3H2O+2H"	56.04448
"1523212"	425.08769	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+IsoProp+H"	61.06479
"418767"	394.999088	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+Na+K"	61.952376
"776480"	577.010538	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+Na+K"	61.952376
"1673905"	212.987638	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Na+K"	61.952376
"257145"	792.061568	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+ACN+Na"	64.015768
"1229853"	428.038668	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+ACN+Na"	64.015768
"1717647"	428.062193	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+NH4+HCOOH"	64.039293
"1181177"	144.330184666667	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+3Na"	68.967654
"1658363"	433.017588	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Na+HCOOH"	68.994688
"164131"	804.96484	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+2K-H"	76.91904
"602596"	1168.98774	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+2K-H"	76.91904
"1093672"	440.94194	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2K-H"	76.91904
"146115"	402.986058	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"2M+2K"	77.926316
"590049"	584.997508	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"3M+2K"	77.926316
"1077842"	220.974608	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2K"	77.926316
"1113240"	442.956492	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2K+H"	78.933592
"1348529"	443.044107	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+DMSO+H"	79.021207
"1014871"	447.083276	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2ACN+H"	83.060376
"1531905"	448.076908	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+IsoProp+Na+H"	84.054008
"1000538"	224.045276	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+2ACN+2H"	84.067652
"1598321"	448.991528	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+K+HCOOH"	84.968628
"1422894"	479.023038	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+H+CF3COOH"	115.000138
"1156465"	244.558551	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+3ACN+2H"	125.094202
"1702735"	496.049585	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+NH4+CF3COOH"	132.026685
"1635106"	501.00498	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+Na+CF3COOH"	136.98208
"1579507"	516.97892	"C03601"	"Chloramphenicol 3-acetate"	"C13H14Cl2N2O6"	"364.0229"	"M+K+CF3COOH"	152.95602
"806596"	200.0086	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M"	0
"974381"	180.99021	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H2O-H"	-19.01839
"67276"	132.331790666667	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-3H"	-3.021828
"503555"	199.001324	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-3H"	-3.021828
"885731"	65.6622573333333	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-3H"	-3.021828
"6493"	199.001324	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H"	-2.014552
"444961"	299.005624	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H"	-2.014552
"819485"	98.997024	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H"	-2.014552
"84945"	399.009924	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H"	-1.007276
"519395"	599.018524	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H"	-1.007276
"897923"	199.001324	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H"	-1.007276
"49028"	416.036471	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+NH4"	16.019271
"487857"	616.045071	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+NH4"	16.019271
"874778"	216.027871	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+NH4"	16.019271
"41952"	420.991866	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+Na"	20.974666
"479327"	621.000466	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+Na"	20.974666
"854940"	220.983266	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+Na"	20.974666
"1623379"	220.983266	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na-2H"	20.974666
"94517"	216.989663	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H+Cl"	33.962126
"534970"	316.993963	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H+Cl"	33.962126
"927991"	116.985363	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+Cl"	33.962126
"267650"	434.986602	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Cl"	34.969402
"660590"	634.995202	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Cl"	34.969402
"1273805"	234.978002	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl"	34.969402
"16642"	436.965806	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+K"	36.948606
"456163"	636.974406	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+K"	36.948606
"833362"	236.957206	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+K"	36.948606
"1558310"	236.957206	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K-2H"	36.948606
"943761"	245.006794	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+HCOOH"	44.998194
"363323"	445.015401	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+HCOOH-H"	44.998201
"346472"	459.031051	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Hac-H"	59.013851
"1495299"	259.022451	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Hac-H"	59.013851
"959079"	266.988751	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+NaCOOH"	66.980151
"110784"	234.978002	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Cl"	69.938804
"550221"	334.982302	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Cl"	69.938804
"1022669"	134.973702	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Cl"	69.938804
"1242244"	278.927485	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Br"	78.918885
"1305169"	280.983472	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+HCOOH"	80.974872
"1323290"	302.965429	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+NaCOOH"	102.956829
"919458"	312.994186	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+CF3COOH"	112.985586
"1298352"	348.970864	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+CF3COOH"	148.962264
"1369952"	164.995924	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-2H2O"	-35.012676
"1390730"	183.0059	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-H2O"	-17.0027
"289323"	401.024476	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H"	1.007276
"680652"	601.033076	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H"	1.007276
"1354813"	201.015876	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H"	1.007276
"126970"	201.015876	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2H"	2.014552
"567262"	301.020176	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2H"	2.014552
"1038610"	101.011576	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H"	2.014552
"205174"	134.346342666667	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H"	3.021828
"651176"	201.015876	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+3H"	3.021828
"1168207"	67.6768093333333	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3H"	3.021828
"427106"	418.051023	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+NH4"	18.033823
"790285"	618.059623	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+NH4"	18.033823
"1682373"	218.042423	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4"	18.033823
"337091"	209.5291495	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+NH4"	19.041099
"726602"	309.5334495	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+NH4"	19.041099
"1486620"	109.5248495	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+NH4"	19.041099
"405301"	423.006418	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na"	22.989218
"766298"	623.015018	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na"	22.989218
"1611113"	222.997818	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na"	22.989218
"328687"	212.006847	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+Na"	23.996494
"721959"	312.011147	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+Na"	23.996494
"1472863"	112.002547	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+Na"	23.996494
"1060639"	75.0041233333333	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H+Na"	25.00377
"1267788"	233.042086	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+CH3OH+H"	33.033486
"387831"	438.980358	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+K"	38.963158
"750284"	638.988958	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+K"	38.963158
"1552335"	238.971758	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K"	38.963158
"310607"	219.993817	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+K"	39.970434
"706311"	319.998117	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+K"	39.970434
"1458307"	119.989517	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+K"	39.970434
"250558"	442.051026	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+H"	42.033826
"1224721"	242.042426	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+H"	42.033826
"1208970"	121.524851	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+2H"	43.041102
"203787"	444.98836	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na-H"	44.97116
"643471"	644.99696	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na-H"	44.97116
"1145765"	244.97976	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na-H"	44.97116
"187593"	222.997818	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na"	45.978436
"623016"	323.002118	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na"	45.978436
"1128588"	122.993518	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na"	45.978436
"1410046"	82.3314373333333	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+2Na"	46.985712
"1439974"	247.021346	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+HCOOH"	47.012746
"234653"	228.03084	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H2O+2H"	56.04448
"1521011"	261.07339	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+H"	61.06479
"419606"	230.984788	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na+K"	61.952376
"779872"	330.989088	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na+K"	61.952376
"1672922"	130.980488	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+K"	61.952376
"255068"	464.032968	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+Na"	64.015768
"1227776"	264.024368	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+Na"	64.015768
"1718850"	264.047893	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+HCOOH"	64.039293
"1180194"	89.6587513333333	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3Na"	68.967654
"1650818"	269.003288	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+HCOOH"	68.994688
"171411"	476.93624	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K-H"	76.91904
"605988"	676.94484	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K-H"	76.91904
"1093782"	276.92764	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K-H"	76.91904
"145130"	238.971758	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K"	77.926316
"586879"	338.976058	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K"	77.926316
"1076859"	138.967458	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K"	77.926316
"1111162"	278.942192	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K+H"	78.933592
"1345359"	279.029807	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+DMSO+H"	79.021207
"1014981"	283.068976	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+H"	83.060376
"1532015"	284.062608	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+Na+H"	84.054008
"1000648"	142.038126	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+2H"	84.067652
"1598431"	284.977228	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+HCOOH"	84.968628
"1425191"	315.008738	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+CF3COOH"	115.000138
"1159856"	162.551401	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3ACN+2H"	125.094202
"1702845"	332.035285	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+CF3COOH"	132.026685
"1636309"	336.99068	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+CF3COOH"	136.98208
"1579617"	352.96462	"C03604"	"D-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+CF3COOH"	152.95602
"804518"	260.0297	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"974495"	241.01131	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"67386"	172.345857333333	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"505121"	259.022424	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"883651"	85.6692906666667	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"4414"	259.022424	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"441791"	389.037274	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"818257"	129.007574	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"85055"	519.052124	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"520237"	779.081824	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"899131"	259.022424	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"49138"	536.078671	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"487965"	796.108371	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"874524"	276.048971	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"43886"	541.034066	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"479437"	801.063766	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"851770"	281.004366	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1622396"	281.004366	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"94907"	277.010763	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"535077"	407.025613	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"927619"	146.995913	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"268489"	555.028802	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"660784"	815.058502	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1273184"	294.999102	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"16712"	557.008006	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"456393"	817.037706	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"834205"	296.978306	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1557327"	296.978306	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"944118"	305.027894	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"363797"	565.057601	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"346707"	579.073251	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1494074"	319.043551	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"959313"	327.009851	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"115150"	294.999102	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"551791"	425.013952	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1024603"	164.984252	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1242840"	338.948585	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1304298"	341.004572	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1324131"	362.986529	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"917382"	373.015286	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1298462"	408.991964	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1369697"	225.017024	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1390840"	243.027	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"288340"	521.066676	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"682947"	781.096376	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1357111"	261.036976	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"127812"	261.036976	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"572839"	391.051826	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040542"	131.022126	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"209537"	174.360409333333	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"654565"	261.036976	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1169410"	87.6838426666667	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"429402"	538.093223	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"792582"	798.122923	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1684550"	278.063523	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"332828"	269.5502495	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"724524"	399.5650995	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1486730"	139.5353995	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"403225"	543.048618	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"766408"	803.078318	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1611223"	283.018918	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"327826"	272.027947	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"722642"	402.042797	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1474066"	142.013097	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1062936"	95.0111566666667	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1271178"	293.063186	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"387578"	559.022558	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"750394"	819.052258	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1553176"	298.992858	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"312904"	280.014917	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"706180"	410.029767	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1460241"	150.000067	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"250423"	562.093226	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1223734"	302.063526	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1209081"	151.535401	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"203410"	565.03056	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"643577"	825.06026	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1145994"	305.00086	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"187335"	283.018918	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"627381"	413.033768	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1129183"	153.004068	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1410156"	102.338470666667	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1440447"	307.042446	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"232330"	288.05194	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1519296"	321.09449	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"418987"	291.005888	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"781075"	421.020738	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1674126"	160.991038	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"254085"	584.075168	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1230073"	324.045468	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1713125"	324.068993	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1178887"	109.665784666667	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1652021"	329.024388	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"163257"	596.97844	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"603911"	857.00814	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1090610"	336.94874	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"144147"	298.992858	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"593549"	429.007708	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1076969"	168.978008	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1111272"	338.963292	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1346563"	339.050907	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1017278"	343.090076	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1533218"	344.083708	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1000758"	172.048676	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1598541"	344.998328	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1425301"	375.029838	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1158873"	192.561951	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1700769"	392.056385	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1635326"	397.01178	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1579727"	412.98572	"C03606"	"D-Hamamelose 2(1)-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"810097"	587.9461	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M"	0
"980349"	568.92771	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-H2O-H"	-19.01839
"66404"	390.956790666667	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M-3H"	-3.021828
"505596"	586.938824	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M-3H"	-3.021828
"882666"	194.974757333333	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-3H"	-3.021828
"11824"	586.938824	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M-2H"	-2.014552
"446280"	880.911874	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M-2H"	-2.014552
"821895"	292.965774	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-2H"	-2.014552
"84072"	1174.884924	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M-H"	-1.007276
"520473"	1762.831024	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M-H"	-1.007276
"902530"	586.938824	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-H"	-1.007276
"62018"	1191.911471	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M-2H+NH4"	16.019271
"499753"	1779.857571	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M-2H+NH4"	16.019271
"874277"	603.965371	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-2H+NH4"	16.019271
"39988"	1196.866866	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M-2H+Na"	20.974666
"480641"	1784.812966	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M-2H+Na"	20.974666
"852974"	608.920766	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-2H+Na"	20.974666
"1620443"	608.920766	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Na-2H"	20.974666
"96852"	604.927163	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M-H+Cl"	33.962126
"542975"	898.900213	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M-H+Cl"	33.962126
"932116"	310.954113	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-H+Cl"	33.962126
"270672"	1210.861602	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+Cl"	34.969402
"661633"	1798.807702	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+Cl"	34.969402
"1273297"	622.915502	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Cl"	34.969402
"16830"	1212.840806	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M-2H+K"	36.948606
"455795"	1800.786906	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M-2H+K"	36.948606
"833225"	624.894706	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-2H+K"	36.948606
"1568389"	624.894706	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+K-2H"	36.948606
"948980"	632.944294	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-H+HCOOH"	44.998194
"368286"	1220.890401	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+HCOOH-H"	44.998201
"353262"	1234.906051	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+Hac-H"	59.013851
"1495533"	646.959951	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Hac-H"	59.013851
"961616"	654.926251	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-H+NaCOOH"	66.980151
"110638"	622.915502	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+2Cl"	69.938804
"550931"	916.888552	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+2Cl"	69.938804
"1022402"	328.942452	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2Cl"	69.938804
"1247582"	666.864985	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Br"	78.918885
"1310029"	668.920972	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Cl+HCOOH"	80.974872
"1325341"	690.902929	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Cl+NaCOOH"	102.956829
"924785"	700.931686	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M-H+CF3COOH"	112.985586
"1301493"	736.908364	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Cl+CF3COOH"	148.962264
"1379653"	552.933424	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H-2H2O"	-35.012676
"1393141"	570.9434	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H-H2O"	-17.0027
"290640"	1176.899476	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+H"	1.007276
"678686"	1764.845576	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+H"	1.007276
"1356127"	588.953376	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H"	1.007276
"129015"	588.953376	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+2H"	2.014552
"566871"	882.926426	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+2H"	2.014552
"1040652"	294.980326	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2H"	2.014552
"205883"	392.971342666667	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+3H"	3.021828
"645200"	588.953376	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+3H"	3.021828
"1163568"	196.989309333333	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+3H"	3.021828
"424533"	1193.926023	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+NH4"	18.033823
"785811"	1781.872123	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+NH4"	18.033823
"1692327"	605.979923	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+NH4"	18.033823
"343888"	597.4666495	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+H+NH4"	19.041099
"736311"	891.4396995	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+H+NH4"	19.041099
"1487578"	303.4935995	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H+NH4"	19.041099
"405530"	1198.881418	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+Na"	22.989218
"765067"	1786.827518	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+Na"	22.989218
"1610248"	610.935318	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Na"	22.989218
"323564"	599.944347	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+H+Na"	23.996494
"713799"	893.917397	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+H+Na"	23.996494
"1470905"	305.971297	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H+Na"	23.996494
"1059778"	204.316623333333	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2H+Na"	25.00377
"1262551"	620.979586	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+CH3OH+H"	33.033486
"388416"	1214.855358	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+K"	38.963158
"745403"	1802.801458	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+K"	38.963158
"1550736"	626.909258	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+K"	38.963158
"312650"	607.931317	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+H+K"	39.970434
"705802"	901.904367	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+H+K"	39.970434
"1457434"	313.958267	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H+K"	39.970434
"250904"	1217.926026	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+ACN+H"	42.033826
"1224826"	629.979926	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+ACN+H"	42.033826
"1209315"	315.493601	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+ACN+2H"	43.041102
"203848"	1220.86336	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+2Na-H"	44.97116
"643693"	1808.80946	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+2Na-H"	44.97116
"1142209"	632.91726	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2Na-H"	44.97116
"184041"	610.935318	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+2Na"	45.978436
"617039"	904.908368	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+2Na"	45.978436
"1119452"	316.962268	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2Na"	45.978436
"1405160"	211.643937333333	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H+2Na"	46.985712
"1435089"	634.958846	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H+HCOOH"	47.012746
"232811"	615.96834	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+3H2O+2H"	56.04448
"1522331"	649.01089	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+IsoProp+H"	61.06479
"418008"	618.922288	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+Na+K"	61.952376
"776814"	912.895338	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+Na+K"	61.952376
"1667675"	324.949238	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Na+K"	61.952376
"255285"	1239.907968	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+ACN+Na"	64.015768
"1238936"	651.961868	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+ACN+Na"	64.015768
"1725635"	651.985393	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+NH4+HCOOH"	64.039293
"1189895"	218.971251333333	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+3Na"	68.967654
"1663805"	656.940788	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Na+HCOOH"	68.994688
"170301"	1252.81124	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+2K-H"	76.91904
"609858"	1840.75734	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+2K-H"	76.91904
"1096189"	664.86514	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2K-H"	76.91904
"153006"	626.909258	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"2M+2K"	77.926316
"590379"	920.882308	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"3M+2K"	77.926316
"1077079"	332.936208	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2K"	77.926316
"1104090"	666.879692	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2K+H"	78.933592
"1342300"	666.967307	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+DMSO+H"	79.021207
"1016297"	671.006476	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2ACN+H"	83.060376
"1531141"	672.000108	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+IsoProp+Na+H"	84.054008
"996500"	336.006876	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+2ACN+2H"	84.067652
"1598665"	672.914728	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+K+HCOOH"	84.968628
"1426512"	702.946238	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+H+CF3COOH"	115.000138
"1156796"	356.520151	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+3ACN+2H"	125.094202
"1709632"	719.972785	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+NH4+CF3COOH"	132.026685
"1642001"	724.92818	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+Na+CF3COOH"	136.98208
"1579838"	740.90212	"C03614"	"Inosine 5-tetraphosphate"	"C10H16N4O17P4"	"587.9461"	"M+K+CF3COOH"	152.95602
"816284"	147.0532	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M"	0
"982646"	128.03481	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"67607"	97.0281906666667	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"506434"	146.045924	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"894089"	48.0104573333333	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"11206"	146.045924	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"448579"	219.572524	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"826014"	72.519324	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"81995"	293.099124	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"528118"	440.152324	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"911081"	146.045924	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"60303"	310.125671	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"495493"	457.178871	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"868919"	163.072471	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"35726"	315.081066	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"477472"	462.134266	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"850171"	168.027866	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1629183"	168.027866	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"102433"	164.034263	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"538712"	237.560863	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"928214"	90.507663	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"267265"	329.075802	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"660647"	476.129002	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1272831"	182.022602	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"19253"	331.055006	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"463191"	478.108206	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"846470"	184.001806	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1566677"	184.001806	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"952371"	192.051394	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"369492"	339.104601	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"355561"	353.120251	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1498925"	206.067051	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"960633"	214.033351	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"112093"	182.022602	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"551289"	255.549202	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1033582"	108.496002	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1250971"	225.972085	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1318890"	228.028072	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1335588"	250.010029	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"926355"	260.038786	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1303426"	296.015464	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1379034"	112.040524	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1391063"	130.0505	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"289655"	295.113676	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"678796"	442.166876	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1358424"	148.060476	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"128031"	148.060476	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"570872"	221.587076	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1041861"	74.533876	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"210856"	99.0427426666667	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"649323"	148.060476	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1166354"	50.0250093333333	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"425251"	312.140223	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"801093"	459.193423	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1692445"	165.087023	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"345624"	156.5737495	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"737148"	230.1003495	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1490244"	83.0471495	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"406369"	317.095618	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"766270"	464.148818	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1612544"	170.042418	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"328903"	159.051447	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"715007"	232.578047	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1473566"	85.524847	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1058799"	57.3523233333333	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1265943"	180.086686	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"387800"	333.069558	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"748794"	480.122758	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1554127"	186.016358	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"312398"	167.038417	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"706158"	240.565017	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1458277"	93.511817	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"250039"	336.140226	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1225558"	189.087026	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1208938"	95.047151	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"203264"	339.07756	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"639179"	486.13076	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1144508"	192.02436	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"183789"	170.042418	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"620432"	243.569018	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1123936"	96.515818	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1402717"	64.6796373333333	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1445416"	194.065946	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"235685"	175.07544	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1524118"	208.11799	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"420305"	178.029388	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"779841"	251.555988	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1668881"	104.502788	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"267048"	358.122168	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1241108"	211.068968	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1727570"	211.092493	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1193902"	72.0069513333333	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1664273"	216.047888	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"171864"	371.02544	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"611063"	518.07864	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1098124"	223.97224	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"152026"	186.016358	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"593771"	259.542958	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1071720"	112.489758	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1104932"	225.986792	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1340222"	226.074407	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1010940"	230.113576	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1536361"	231.107208	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"1004520"	115.560426	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1600964"	232.021828	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1426621"	262.053338	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1160921"	136.073701	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1709741"	279.079885	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1642111"	284.03528	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1576670"	300.00922	"C03618"	"L-threo-3-Methylaspartate;(2S3S)-3-Methylaspartate"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"810318"	194.079	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M"	0
"977290"	175.06061	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"65531"	128.378724	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"503629"	193.071724	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"893471"	63.685724	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"4754"	193.071724	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"442126"	290.111224	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"822115"	96.032224	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"81012"	387.150724	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"522762"	581.229724	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"910538"	193.071724	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"61145"	404.177271	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"496697"	598.256271	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"873403"	210.098271	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"38023"	409.132666	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"477582"	603.211666	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"849918"	215.053666	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1629293"	215.053666	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"102543"	211.060063	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"535541"	308.099563	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"927594"	114.020563	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"267479"	423.127402	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"660551"	617.206402	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1272785"	229.048402	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"17177"	425.106606	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"460021"	619.185606	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"845487"	231.027606	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1564600"	231.027606	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"949201"	239.077194	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"365228"	433.156201	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"350204"	447.171851	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1494661"	253.092851	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"960743"	261.059151	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"112203"	229.048402	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"550667"	326.087902	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1031503"	132.008902	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1248894"	272.997885	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1316813"	275.053872	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1332853"	297.035829	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"925004"	307.064586	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1298795"	343.041264	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1373677"	159.066324	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1387892"	177.0763	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"287579"	389.165276	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"677812"	583.244276	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1356347"	195.086276	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H"	1.007276
"126077"	195.086276	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"566972"	292.125776	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1037718"	98.046776	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"209873"	130.393276	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"649433"	195.086276	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1165371"	65.700276	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"425361"	406.191823	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"795118"	600.270823	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1689275"	212.112823	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"343018"	203.5995495	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"735801"	300.6390495	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1488167"	106.5600495	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"404293"	411.147218	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"766380"	605.226218	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1612654"	217.068218	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"324882"	206.077247	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"712928"	303.116747	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1470029"	109.037747	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1058904"	73.02759	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1259855"	227.112486	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"383533"	427.121158	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"747809"	621.200158	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1552777"	233.042158	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+K"	38.963158
"312141"	214.064217	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"704562"	311.103717	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1459477"	117.024717	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"248079"	430.191826	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1225410"	236.112826	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1209694"	118.560051	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"200094"	433.12916	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"637466"	627.20816	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1143524"	239.05016	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"182076"	217.068218	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"618355"	314.107718	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1118579"	120.028718	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1401006"	80.354904	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1445287"	241.091746	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"234126"	222.10124	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1523730"	255.14379	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"421508"	225.055188	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"779951"	322.094688	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1667898"	128.015688	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"266452"	452.173768	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1241271"	258.094768	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1725495"	258.118293	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1193932"	87.682218	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1662925"	263.073688	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"170879"	465.07704	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"610444"	659.15604	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1096777"	270.99804	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"147761"	233.042158	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"590601"	330.081658	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1071465"	136.002658	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1108323"	273.012592	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1339239"	273.100207	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1007038"	277.139376	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1534284"	278.133008	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"1004509"	139.073326	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1601925"	279.047628	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1425638"	309.079138	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1160302"	159.586601	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1709851"	326.105685	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1638940"	331.06108	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1576780"	347.03502	"C03619"	"Methyl beta-D-galactoside;Methyl beta-D-galactopyranoside"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"810429"	227.0946	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M"	0
"977401"	208.07621	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H2O-H"	-19.01839
"64549"	150.389124	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-3H"	-3.021828
"513955"	226.087324	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-3H"	-3.021828
"883371"	74.690924	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-3H"	-3.021828
"2676"	226.087324	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H"	-2.014552
"445517"	339.634624	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H"	-2.014552
"818945"	112.540024	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H"	-2.014552
"86594"	453.181924	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-H"	-1.007276
"533695"	680.276524	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-H"	-1.007276
"902142"	226.087324	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H"	-1.007276
"51410"	470.208471	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H+NH4"	16.019271
"492430"	697.303071	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H+NH4"	16.019271
"873512"	243.113871	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H+NH4"	16.019271
"35945"	475.163866	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H+Na"	20.974666
"477694"	702.258466	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H+Na"	20.974666
"851484"	248.069266	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H+Na"	20.974666
"1626124"	248.069266	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na-2H"	20.974666
"102653"	244.075663	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-H+Cl"	33.962126
"537106"	357.622963	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-H+Cl"	33.962126
"929891"	130.528363	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+Cl"	33.962126
"268447"	489.158602	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Cl"	34.969402
"663417"	716.253202	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+Cl"	34.969402
"1279109"	262.064002	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl"	34.969402
"23854"	491.137806	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H+K"	36.948606
"465606"	718.232406	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H+K"	36.948606
"841222"	264.043206	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H+K"	36.948606
"1558147"	264.043206	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K-2H"	36.948606
"943842"	272.092794	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+HCOOH"	44.998194
"363150"	499.187401	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+HCOOH-H"	44.998201
"348128"	513.203051	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Hac-H"	59.013851
"1495867"	286.108451	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Hac-H"	59.013851
"960852"	294.074751	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+NaCOOH"	66.980151
"113409"	262.064002	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2Cl"	69.938804
"561724"	375.611302	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2Cl"	69.938804
"1033803"	148.516702	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2Cl"	69.938804
"1251197"	306.013485	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Br"	78.918885
"1318020"	308.069472	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl+HCOOH"	80.974872
"1332235"	330.051429	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl+NaCOOH"	102.956829
"917826"	340.080186	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+CF3COOH"	112.985586
"1295624"	376.056864	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl+CF3COOH"	148.962264
"1373786"	192.081924	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H-2H2O"	-35.012676
"1384722"	210.0919	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H-H2O"	-17.0027
"285502"	455.196476	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H"	1.007276
"677193"	682.291076	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H"	1.007276
"1356459"	228.101876	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H"	1.007276
"128617"	228.101876	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2H"	2.014552
"567081"	341.649176	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2H"	2.014552
"1038433"	114.554576	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2H"	2.014552
"207793"	152.403676	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+3H"	3.021828
"648455"	228.101876	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+3H"	3.021828
"1165483"	76.705476	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+3H"	3.021828
"436423"	472.223023	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+NH4"	18.033823
"794135"	699.317623	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+NH4"	18.033823
"1694481"	245.128423	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+NH4"	18.033823
"342035"	236.6151495	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H+NH4"	19.041099
"732269"	350.1624495	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H+NH4"	19.041099
"1488278"	123.0678495	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+NH4"	19.041099
"405863"	477.178418	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Na"	22.989218
"764671"	704.273018	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+Na"	22.989218
"1614959"	250.083818	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na"	22.989218
"321714"	239.092847	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H+Na"	23.996494
"715229"	352.640147	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H+Na"	23.996494
"1466862"	125.545547	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+Na"	23.996494
"1057922"	84.03279	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2H+Na"	25.00377
"1262883"	260.128086	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+CH3OH+H"	33.033486
"385831"	493.152358	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+K"	38.963158
"745732"	720.246958	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+K"	38.963158
"1549973"	266.057758	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K"	38.963158
"311159"	247.079817	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H+K"	39.970434
"703945"	360.627117	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H+K"	39.970434
"1458859"	133.532517	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+K"	39.970434
"251237"	496.223026	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+ACN+H"	42.033826
"1224427"	269.128426	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+ACN+H"	42.033826
"1207699"	135.067851	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+ACN+2H"	43.041102
"201663"	499.16036	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2Na-H"	44.97116
"637575"	726.25496	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2Na-H"	44.97116
"1144729"	272.06576	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2Na-H"	44.97116
"186196"	250.083818	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2Na"	45.978436
"623932"	363.631118	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2Na"	45.978436
"1120876"	136.536518	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2Na"	45.978436
"1412798"	91.360104	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+2Na"	46.985712
"1442723"	274.107346	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+HCOOH"	47.012746
"232051"	255.11684	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+3H2O+2H"	56.04448
"1521937"	288.15939	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+IsoProp+H"	61.06479
"421254"	258.070788	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Na+K"	61.952376
"780425"	371.618088	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+Na+K"	61.952376
"1677852"	144.523488	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na+K"	61.952376
"266202"	518.204968	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+ACN+Na"	64.015768
"1240733"	291.110368	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+ACN+Na"	64.015768
"1724511"	291.133893	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+NH4+HCOOH"	64.039293
"1193150"	98.687418	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+3Na"	68.967654
"1660485"	296.089288	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na+HCOOH"	68.994688
"167712"	531.10824	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2K-H"	76.91904
"607641"	758.20284	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2K-H"	76.91904
"1091786"	304.01364	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2K-H"	76.91904
"144592"	266.057758	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2K"	77.926316
"589616"	379.605058	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2K"	77.926316
"1071940"	152.510458	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2K"	77.926316
"1106243"	306.028192	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2K+H"	78.933592
"1339347"	306.115807	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+DMSO+H"	79.021207
"1018458"	310.154976	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2ACN+H"	83.060376
"1539509"	311.148608	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+IsoProp+Na+H"	84.054008
"1005476"	155.581126	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2ACN+2H"	84.067652
"1602576"	312.063228	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K+HCOOH"	84.968628
"1429156"	342.094738	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+CF3COOH"	115.000138
"1162198"	176.094401	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+3ACN+2H"	125.094202
"1708868"	359.121285	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+NH4+CF3COOH"	132.026685
"1648895"	364.07668	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na+CF3COOH"	136.98208
"1580171"	380.05062	"C03621"	"N-Acetoxy-4-aminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K+CF3COOH"	152.95602
"810539"	185.0841	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M"	0
"977511"	166.06571	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-H2O-H"	-19.01839
"66845"	122.382124	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M-3H"	-3.021828
"514065"	184.076824	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M-3H"	-3.021828
"884210"	60.687424	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-3H"	-3.021828
"2786"	184.076824	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M-2H"	-2.014552
"445627"	276.618874	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M-2H"	-2.014552
"820148"	91.534774	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-2H"	-2.014552
"84517"	369.160924	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M-H"	-1.007276
"532587"	554.245024	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M-H"	-1.007276
"901158"	184.076824	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-H"	-1.007276
"51520"	386.187471	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M-2H+NH4"	16.019271
"490352"	571.271571	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M-2H+NH4"	16.019271
"871435"	201.103371	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-2H+NH4"	16.019271
"34960"	391.142866	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M-2H+Na"	20.974666
"472574"	576.226966	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M-2H+Na"	20.974666
"851229"	206.058766	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-2H+Na"	20.974666
"1626234"	206.058766	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Na-2H"	20.974666
"102763"	202.065163	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M-H+Cl"	33.962126
"537582"	294.607213	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M-H+Cl"	33.962126
"929636"	109.523113	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-H+Cl"	33.962126
"270379"	405.137602	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+Cl"	34.969402
"662798"	590.221702	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+Cl"	34.969402
"1279219"	220.053502	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Cl"	34.969402
"21777"	407.116806	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M-2H+K"	36.948606
"467903"	592.200906	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M-2H+K"	36.948606
"841332"	222.032706	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-2H+K"	36.948606
"1561537"	222.032706	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+K-2H"	36.948606
"950512"	230.082294	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-H+HCOOH"	44.998194
"364354"	415.166401	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+HCOOH-H"	44.998201
"350425"	429.182051	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+Hac-H"	59.013851
"1494883"	244.097951	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Hac-H"	59.013851
"962418"	252.064251	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-H+NaCOOH"	66.980151
"112789"	220.053502	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+2Cl"	69.938804
"563292"	312.595552	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+2Cl"	69.938804
"1031724"	127.511452	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2Cl"	69.938804
"1253129"	264.002985	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Br"	78.918885
"1317766"	266.058972	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Cl+HCOOH"	80.974872
"1329065"	288.040929	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Cl+NaCOOH"	102.956829
"919029"	298.069686	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M-H+CF3COOH"	112.985586
"1296827"	334.046364	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Cl+CF3COOH"	148.962264
"1374988"	150.071424	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H-2H2O"	-35.012676
"1389207"	168.0814	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H-H2O"	-17.0027
"286705"	371.175476	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+H"	1.007276
"678394"	556.259576	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+H"	1.007276
"1355839"	186.091376	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H"	1.007276
"129455"	186.091376	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+2H"	2.014552
"566460"	278.633426	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+2H"	2.014552
"1037813"	93.549326	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2H"	2.014552
"207903"	124.396676	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+3H"	3.021828
"648563"	186.091376	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+3H"	3.021828
"1167051"	62.701976	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+3H"	3.021828
"432161"	388.202023	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+NH4"	18.033823
"790966"	573.286123	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+NH4"	18.033823
"1692768"	203.117923	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+NH4"	18.033823
"338857"	194.6046495	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+H+NH4"	19.041099
"733473"	287.1466995	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+H+NH4"	19.041099
"1490574"	102.0625995	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H+NH4"	19.041099
"404517"	393.157418	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+Na"	22.989218
"766968"	578.241518	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+Na"	22.989218
"1615070"	208.073318	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Na"	22.989218
"321825"	197.082347	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+H+Na"	23.996494
"714975"	289.624397	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+H+Na"	23.996494
"1468796"	104.540297	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H+Na"	23.996494
"1059126"	70.02929	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2H+Na"	25.00377
"1264086"	218.117586	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+CH3OH+H"	33.033486
"385941"	409.131358	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+K"	38.963158
"748759"	594.215458	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+K"	38.963158
"1550083"	224.047258	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+K"	38.963158
"313581"	205.069317	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+H+K"	39.970434
"702962"	297.611367	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+H+K"	39.970434
"1460550"	112.527267	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H+K"	39.970434
"250981"	412.202026	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+ACN+H"	42.033826
"1224536"	227.117926	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+ACN+H"	42.033826
"1207809"	114.062601	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+ACN+2H"	43.041102
"201409"	415.13936	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+2Na-H"	44.97116
"637685"	600.22346	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+2Na-H"	44.97116
"1144839"	230.05526	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2Na-H"	44.97116
"185941"	208.073318	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+2Na"	45.978436
"622949"	300.615368	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+2Na"	45.978436
"1123172"	115.531268	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2Na"	45.978436
"1413028"	77.356604	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H+2Na"	46.985712
"1441738"	232.096846	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H+HCOOH"	47.012746
"232160"	213.10634	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+3H2O+2H"	56.04448
"1521317"	246.14889	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+IsoProp+H"	61.06479
"419540"	216.060288	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+Na+K"	61.952376
"780535"	308.602338	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+Na+K"	61.952376
"1678690"	123.518238	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Na+K"	61.952376
"266311"	434.183968	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+ACN+Na"	64.015768
"1241168"	249.099868	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+ACN+Na"	64.015768
"1724987"	249.123393	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+NH4+HCOOH"	64.039293
"1190342"	84.683918	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+3Na"	68.967654
"1659138"	254.078788	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Na+HCOOH"	68.994688
"167822"	447.08724	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+2K-H"	76.91904
"608481"	632.17134	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+2K-H"	76.91904
"1093353"	262.00314	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2K-H"	76.91904
"149075"	224.047258	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"2M+2K"	77.926316
"587540"	316.589308	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"3M+2K"	77.926316
"1072050"	131.505208	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2K"	77.926316
"1106352"	264.017692	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2K+H"	78.933592
"1339456"	264.105307	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+DMSO+H"	79.021207
"1017111"	268.144476	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2ACN+H"	83.060376
"1535970"	269.138108	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+IsoProp+Na+H"	84.054008
"1005098"	134.575876	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+2ACN+2H"	84.067652
"1602481"	270.052728	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+K+HCOOH"	84.968628
"1429673"	300.084238	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+H+CF3COOH"	115.000138
"1160524"	155.089151	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+3ACN+2H"	125.094202
"1708978"	317.110785	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+NH4+CF3COOH"	132.026685
"1649370"	322.06618	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+Na+CF3COOH"	136.98208
"1580281"	338.04012	"C03622"	"N-Hydroxy-4-aminobiphenyl"	"C12H11NO"	"185.0841"	"M+K+CF3COOH"	152.95602
"813929"	159.0532	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M"	0
"980901"	140.03481	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-H2O-H"	-19.01839
"66226"	105.028190666667	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M-3H"	-3.021828
"514175"	158.045924	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M-3H"	-3.021828
"883591"	52.0104573333333	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-3H"	-3.021828
"2896"	158.045924	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M-2H"	-2.014552
"443550"	237.572524	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M-2H"	-2.014552
"820258"	78.519324	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-2H"	-2.014552
"84627"	317.099124	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M-H"	-1.007276
"531846"	476.152324	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M-H"	-1.007276
"909652"	158.045924	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-H"	-1.007276
"61594"	334.125671	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M-2H+NH4"	16.019271
"494837"	493.178871	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M-2H+NH4"	16.019271
"878715"	175.072471	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-2H+NH4"	16.019271
"36165"	339.081066	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M-2H+Na"	20.974666
"476091"	498.134266	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M-2H+Na"	20.974666
"851703"	180.027866	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-2H+Na"	20.974666
"1628531"	180.027866	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Na-2H"	20.974666
"105060"	176.034263	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M-H+Cl"	33.962126
"537329"	255.560863	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M-H+Cl"	33.962126
"930475"	96.507663	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-H+Cl"	33.962126
"272678"	353.075802	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+Cl"	34.969402
"664366"	512.129002	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+Cl"	34.969402
"1281515"	194.022602	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Cl"	34.969402
"24074"	355.055006	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M-2H+K"	36.948606
"465826"	514.108206	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M-2H+K"	36.948606
"841442"	196.001806	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-2H+K"	36.948606
"1561647"	196.001806	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+K-2H"	36.948606
"947341"	204.051394	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-H+HCOOH"	44.998194
"365557"	363.104601	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+HCOOH-H"	44.998201
"350535"	377.120251	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+Hac-H"	59.013851
"1496086"	218.067051	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Hac-H"	59.013851
"962531"	226.033351	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-H+NaCOOH"	66.980151
"112169"	194.022602	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+2Cl"	69.938804
"563037"	273.549202	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+2Cl"	69.938804
"1035114"	114.496002	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2Cl"	69.938804
"1252510"	237.972085	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Br"	78.918885
"1316054"	240.028072	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Cl+HCOOH"	80.974872
"1333548"	262.010029	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Cl+NaCOOH"	102.956829
"920232"	272.038786	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M-H+CF3COOH"	112.985586
"1299125"	308.015464	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Cl+CF3COOH"	148.962264
"1370723"	124.040524	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H-2H2O"	-35.012676
"1390409"	142.0505	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H-H2O"	-17.0027
"283896"	319.113676	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+H"	1.007276
"676681"	478.166876	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+H"	1.007276
"1357772"	160.060476	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H"	1.007276
"130659"	160.060476	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+2H"	2.014552
"568396"	239.587076	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+2H"	2.014552
"1039383"	80.533876	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2H"	2.014552
"206188"	107.042742666667	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+3H"	3.021828
"650129"	160.060476	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+3H"	3.021828
"1168254"	54.0250093333333	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+3H"	3.021828
"431176"	336.140223	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+NH4"	18.033823
"792168"	495.193423	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+NH4"	18.033823
"1686315"	177.087023	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+NH4"	18.033823
"335686"	168.5737495	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+H+NH4"	19.041099
"737229"	248.1003495	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+H+NH4"	19.041099
"1490680"	89.0471495	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H+NH4"	19.041099
"406813"	341.095618	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+Na"	22.989218
"768900"	500.148818	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+Na"	22.989218
"1615180"	182.042418	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Na"	22.989218
"324488"	171.051447	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+H+Na"	23.996494
"719095"	250.578047	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+H+Na"	23.996494
"1474010"	91.524847	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H+Na"	23.996494
"1062518"	61.3523233333333	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2H+Na"	25.00377
"1269664"	192.086686	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+CH3OH+H"	33.033486
"392050"	357.069558	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+K"	38.963158
"753815"	516.122758	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+K"	38.963158
"1554815"	198.016358	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+K"	38.963158
"313209"	179.038417	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+H+K"	39.970434
"706318"	258.565017	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+H+K"	39.970434
"1459815"	99.511817	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H+K"	39.970434
"250726"	360.140226	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+ACN+H"	42.033826
"1224164"	201.087026	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+ACN+H"	42.033826
"1208412"	101.047151	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+ACN+2H"	43.041102
"203876"	363.07756	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+2Na-H"	44.97116
"644037"	522.13076	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+2Na-H"	44.97116
"1146413"	204.02436	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2Na-H"	44.97116
"188448"	182.042418	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+2Na"	45.978436
"627799"	261.569018	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+2Na"	45.978436
"1124377"	102.515818	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2Na"	45.978436
"1413014"	68.6796373333333	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H+2Na"	46.985712
"1444402"	206.065946	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H+HCOOH"	47.012746
"234458"	187.07544	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+3H2O+2H"	56.04448
"1522155"	220.11799	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+IsoProp+H"	61.06479
"420743"	190.029388	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+Na+K"	61.952376
"782832"	269.555988	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+Na+K"	61.952376
"1680018"	110.502788	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Na+K"	61.952376
"263500"	382.122168	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+ACN+Na"	64.015768
"1241079"	223.068968	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+ACN+Na"	64.015768
"1724367"	223.092493	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+NH4+HCOOH"	64.039293
"1190812"	76.0069513333333	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+3Na"	68.967654
"1661434"	228.047888	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Na+HCOOH"	68.994688
"167202"	395.02544	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+2K-H"	76.91904
"609316"	554.07864	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+2K-H"	76.91904
"1096016"	235.97224	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2K-H"	76.91904
"152104"	198.016358	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"2M+2K"	77.926316
"588743"	277.542958	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"3M+2K"	77.926316
"1073253"	118.489758	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2K"	77.926316
"1107556"	237.986792	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2K+H"	78.933592
"1340659"	238.074407	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+DMSO+H"	79.021207
"1019044"	242.113576	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2ACN+H"	83.060376
"1533893"	243.107208	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+IsoProp+Na+H"	84.054008
"1004719"	121.560426	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+2ACN+2H"	84.067652
"1602469"	244.021828	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+K+HCOOH"	84.968628
"1427067"	274.053338	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+H+CF3COOH"	115.000138
"1159540"	142.073701	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+3ACN+2H"	125.094202
"1707994"	291.079885	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+NH4+CF3COOH"	132.026685
"1648750"	296.03528	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+Na+CF3COOH"	136.98208
"1577111"	312.00922	"C03623"	"N-Methyl-2-oxoglutaramate"	"C6H9NO4"	"159.0532"	"M+K+CF3COOH"	152.95602
"814039"	231.0079	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M"	0
"981011"	211.98951	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-H2O-H"	-19.01839
"65972"	152.997990666667	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M-3H"	-3.021828
"514285"	230.000624	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M-3H"	-3.021828
"883337"	75.9953573333333	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-3H"	-3.021828
"4099"	230.000624	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M-2H"	-2.014552
"442567"	345.504574	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M-2H"	-2.014552
"823648"	114.496674	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-2H"	-2.014552
"84737"	461.008524	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M-H"	-1.007276
"528675"	692.016424	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M-H"	-1.007276
"905388"	230.000624	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-H"	-1.007276
"52106"	478.035071	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M-2H+NH4"	16.019271
"491667"	709.042971	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M-2H+NH4"	16.019271
"872749"	247.027171	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-2H+NH4"	16.019271
"34453"	482.990466	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M-2H+Na"	20.974666
"473649"	713.998366	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M-2H+Na"	20.974666
"851448"	251.982566	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-2H+Na"	20.974666
"1626454"	251.982566	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Na-2H"	20.974666
"102983"	247.988963	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M-H+Cl"	33.962126
"537075"	363.492913	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M-H+Cl"	33.962126
"930585"	132.485013	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-H+Cl"	33.962126
"273152"	496.985202	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+Cl"	34.969402
"665934"	727.993102	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+Cl"	34.969402
"1279438"	265.977302	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Cl"	34.969402
"21997"	498.964406	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M-2H+K"	36.948606
"464843"	729.972306	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M-2H+K"	36.948606
"841552"	267.956506	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-2H+K"	36.948606
"1561757"	267.956506	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+K-2H"	36.948606
"946358"	276.006094	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-H+HCOOH"	44.998194
"364574"	507.014001	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+HCOOH-H"	44.998201
"350645"	521.029651	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+Hac-H"	59.013851
"1496196"	290.021751	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Hac-H"	59.013851
"961549"	297.988051	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-H+NaCOOH"	66.980151
"111551"	265.977302	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+2Cl"	69.938804
"563876"	381.481252	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+2Cl"	69.938804
"1035224"	150.473352	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2Cl"	69.938804
"1253713"	309.926785	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Br"	78.918885
"1316164"	311.982772	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Cl+HCOOH"	80.974872
"1333294"	333.964729	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Cl+NaCOOH"	102.956829
"920342"	343.993486	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M-H+CF3COOH"	112.985586
"1300328"	379.970164	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Cl+CF3COOH"	148.962264
"1371926"	195.995224	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H-2H2O"	-35.012676
"1387239"	214.0052	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H-H2O"	-17.0027
"286921"	463.023076	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+H"	1.007276
"677520"	694.030976	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+H"	1.007276
"1357882"	232.015176	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H"	1.007276
"131862"	232.015176	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+2H"	2.014552
"568142"	347.519126	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+2H"	2.014552
"1039493"	116.511226	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2H"	2.014552
"206298"	155.012542666667	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+3H"	3.021828
"650967"	232.015176	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+3H"	3.021828
"1169093"	78.0099093333333	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+3H"	3.021828
"428003"	480.049623	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+NH4"	18.033823
"794466"	711.057523	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+NH4"	18.033823
"1686788"	249.041723	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+NH4"	18.033823
"333244"	240.5284495	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+H+NH4"	19.041099
"728216"	356.0323995	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+H+NH4"	19.041099
"1485320"	125.0244995	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H+NH4"	19.041099
"400719"	485.005018	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+Na"	22.989218
"769008"	716.012918	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+Na"	22.989218
"1614188"	253.997118	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Na"	22.989218
"326418"	243.006147	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+H+Na"	23.996494
"718839"	358.510097	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+H+Na"	23.996494
"1471568"	127.502197	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H+Na"	23.996494
"1061533"	85.3372233333333	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2H+Na"	25.00377
"1265400"	264.041386	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+CH3OH+H"	33.033486
"390536"	500.978958	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+K"	38.963158
"752261"	731.986858	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+K"	38.963158
"1553952"	269.971058	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+K"	38.963158
"312953"	250.993117	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+H+K"	39.970434
"706386"	366.497067	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+H+K"	39.970434
"1461183"	135.489167	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H+K"	39.970434
"251161"	504.049626	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+ACN+H"	42.033826
"1225003"	273.041726	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+ACN+H"	42.033826
"1209791"	137.024501	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+ACN+2H"	43.041102
"203211"	506.98696	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+2Na-H"	44.97116
"642524"	737.99486	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+2Na-H"	44.97116
"1146399"	275.97906	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2Na-H"	44.97116
"186887"	253.997118	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+2Na"	45.978436
"627056"	369.501068	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+2Na"	45.978436
"1124487"	138.493168	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2Na"	45.978436
"1413123"	92.6645373333333	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H+2Na"	46.985712
"1444143"	278.020646	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H+HCOOH"	47.012746
"235459"	259.03014	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+3H2O+2H"	56.04448
"1520075"	292.07269	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+IsoProp+H"	61.06479
"421946"	261.984088	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+Na+K"	61.952376
"778566"	377.488038	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+Na+K"	61.952376
"1678179"	146.480138	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Na+K"	61.952376
"264339"	526.031568	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+ACN+Na"	64.015768
"1239602"	295.023668	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+ACN+Na"	64.015768
"1724840"	295.047193	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+NH4+HCOOH"	64.039293
"1189466"	99.9918513333333	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+3Na"	68.967654
"1660448"	300.002588	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Na+HCOOH"	68.994688
"168041"	538.93484	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+2K-H"	76.91904
"609423"	769.94274	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+2K-H"	76.91904
"1092476"	307.92694	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2K-H"	76.91904
"151477"	269.971058	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"2M+2K"	77.926316
"589944"	385.475008	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"3M+2K"	77.926316
"1069717"	154.467108	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2K"	77.926316
"1102197"	309.941492	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2K+H"	78.933592
"1336759"	310.029107	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+DMSO+H"	79.021207
"1010402"	314.068276	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2ACN+H"	83.060376
"1532908"	315.061908	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+IsoProp+Na+H"	84.054008
"998261"	157.537776	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+2ACN+2H"	84.067652
"1596046"	315.976528	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+K+HCOOH"	84.968628
"1422801"	346.008038	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+H+CF3COOH"	115.000138
"1157461"	178.051051	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+3ACN+2H"	125.094202
"1701544"	363.034585	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+NH4+CF3COOH"	132.026685
"1648130"	367.98998	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+Na+CF3COOH"	136.98208
"1573940"	383.96392	"C03624"	"N-Phosphohypotaurocyamine;N(omega)-Phosphohypotaurocyamine"	"C3H10N3O5PS"	"231.0079"	"M+K+CF3COOH"	152.95602
"810871"	202.143	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M"	0
"981122"	183.12461	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-H2O-H"	-19.01839
"70462"	133.754724	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M-3H"	-3.021828
"506738"	201.135724	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M-3H"	-3.021828
"883447"	66.373724	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-3H"	-3.021828
"4209"	201.135724	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M-2H"	-2.014552
"449238"	302.207224	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M-2H"	-2.014552
"822670"	100.064224	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-2H"	-2.014552
"88131"	403.278724	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M-H"	-1.007276
"526604"	605.421724	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M-H"	-1.007276
"900030"	201.135724	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-H"	-1.007276
"50757"	420.305271	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M-2H+NH4"	16.019271
"495057"	622.448271	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M-2H+NH4"	16.019271
"872859"	218.162271	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-2H+NH4"	16.019271
"35658"	425.260666	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M-2H+Na"	20.974666
"473395"	627.403666	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M-2H+Na"	20.974666
"855940"	223.117666	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-2H+Na"	20.974666
"1624381"	223.117666	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Na-2H"	20.974666
"102001"	219.124063	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M-H+Cl"	33.962126
"537183"	320.195563	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M-H+Cl"	33.962126
"931426"	118.052563	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-H+Cl"	33.962126
"270711"	439.255402	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+Cl"	34.969402
"671522"	641.398402	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+Cl"	34.969402
"1281736"	237.112402	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Cl"	34.969402
"22112"	441.234606	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M-2H+K"	36.948606
"462766"	643.377606	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M-2H+K"	36.948606
"841662"	239.091606	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-2H+K"	36.948606
"1564054"	239.091606	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+K-2H"	36.948606
"948655"	247.141194	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-H+HCOOH"	44.998194
"364684"	449.284201	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+HCOOH-H"	44.998201
"348568"	463.299851	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+Hac-H"	59.013851
"1496307"	261.156851	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Hac-H"	59.013851
"963851"	269.123151	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-H+NaCOOH"	66.980151
"121147"	237.112402	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+2Cl"	69.938804
"562164"	338.183902	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+2Cl"	69.938804
"1029872"	136.040902	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2Cl"	69.938804
"1251636"	281.061885	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Br"	78.918885
"1312990"	283.117872	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Cl+HCOOH"	80.974872
"1328301"	305.099829	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Cl+NaCOOH"	102.956829
"920452"	315.128586	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M-H+CF3COOH"	112.985586
"1301533"	351.105264	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Cl+CF3COOH"	148.962264
"1372039"	167.130324	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H-2H2O"	-35.012676
"1386255"	185.1403	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H-H2O"	-17.0027
"284848"	405.293276	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+H"	1.007276
"681644"	607.436276	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+H"	1.007276
"1353983"	203.150276	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H"	1.007276
"129787"	203.150276	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+2H"	2.014552
"574816"	304.221776	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+2H"	2.014552
"1040330"	102.078776	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2H"	2.014552
"207876"	135.769276	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+3H"	3.021828
"648162"	203.150276	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+3H"	3.021828
"1165934"	68.388276	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+3H"	3.021828
"428113"	422.319823	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+NH4"	18.033823
"790201"	624.462823	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+NH4"	18.033823
"1683981"	220.176823	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+NH4"	18.033823
"332624"	211.6635495	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+H+NH4"	19.041099
"726141"	312.7350495	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+H+NH4"	19.041099
"1485431"	110.5920495	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H+NH4"	19.041099
"405208"	427.275218	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+Na"	22.989218
"766202"	629.418218	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+Na"	22.989218
"1611023"	225.132218	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Na"	22.989218
"323249"	214.141247	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+H+Na"	23.996494
"715669"	315.212747	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+H+Na"	23.996494
"1472771"	113.069747	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H+Na"	23.996494
"1063831"	75.71559	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2H+Na"	25.00377
"1263322"	235.176486	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+CH3OH+H"	33.033486
"386271"	443.249158	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+K"	38.963158
"749454"	645.392158	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+K"	38.963158
"1554060"	241.106158	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+K"	38.963158
"312695"	222.128217	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+H+K"	39.970434
"705483"	323.199717	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+H+K"	39.970434
"1460396"	121.056717	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H+K"	39.970434
"251186"	446.319826	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+ACN+H"	42.033826
"1225437"	244.176826	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+ACN+H"	42.033826
"1209887"	122.592051	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+ACN+2H"	43.041102
"200646"	449.25716	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+2Na-H"	44.97116
"640934"	651.40016	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+2Na-H"	44.97116
"1144801"	247.11416	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2Na-H"	44.97116
"185907"	225.132218	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+2Na"	45.978436
"626561"	326.203718	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+2Na"	45.978436
"1126429"	124.060718	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2Na"	45.978436
"1409585"	83.042904	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H+2Na"	46.985712
"1439148"	249.155746	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H+HCOOH"	47.012746
"232852"	230.16524	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+3H2O+2H"	56.04448
"1516903"	263.20779	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+IsoProp+H"	61.06479
"417682"	233.119188	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+Na+K"	61.952376
"783785"	334.190688	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+Na+K"	61.952376
"1677932"	132.047688	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Na+K"	61.952376
"263358"	468.301768	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+ACN+Na"	64.015768
"1238617"	266.158768	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+ACN+Na"	64.015768
"1724221"	266.182293	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+NH4+HCOOH"	64.039293
"1186660"	90.370218	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+3Na"	68.967654
"1658011"	271.137688	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Na+HCOOH"	68.994688
"165964"	481.20504	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+2K-H"	76.91904
"603337"	683.34804	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+2K-H"	76.91904
"1092586"	279.06204	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2K-H"	76.91904
"150494"	241.106158	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"2M+2K"	77.926316
"587867"	342.177658	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"3M+2K"	77.926316
"1073473"	140.034658	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2K"	77.926316
"1102308"	281.076592	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2K+H"	78.933592
"1347087"	281.164207	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+DMSO+H"	79.021207
"1014894"	285.203376	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2ACN+H"	83.060376
"1533015"	286.197008	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+IsoProp+Na+H"	84.054008
"997280"	143.105326	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+2ACN+2H"	84.067652
"1595065"	287.111628	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+K+HCOOH"	84.968628
"1424001"	317.143138	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+H+CF3COOH"	115.000138
"1157572"	163.618601	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+3ACN+2H"	125.094202
"1711134"	334.169685	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+NH4+CF3COOH"	132.026685
"1646055"	339.12508	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+Na+CF3COOH"	136.98208
"1574051"	355.09902	"C03626"	"NGNG-Dimethyl-L-arginine;NN-Dimethylarginine;NomegaNomega-Dimethyl-L-arginine;ADMA"	"C8H18N4O2"	"202.143"	"M+K+CF3COOH"	152.95602
"807701"	112.9878	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M"	0
"977952"	93.96941	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-H2O-H"	-19.01839
"69479"	74.317924	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M-3H"	-3.021828
"505755"	111.980524	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M-3H"	-3.021828
"882463"	36.655324	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-3H"	-3.021828
"2132"	111.980524	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M-2H"	-2.014552
"446068"	168.474424	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M-2H"	-2.014552
"821687"	55.486624	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-2H"	-2.014552
"88241"	224.968324	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M-H"	-1.007276
"524527"	337.956124	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M-H"	-1.007276
"901233"	111.980524	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-H"	-1.007276
"51231"	241.994871	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M-2H+NH4"	16.019271
"495167"	354.982671	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M-2H+NH4"	16.019271
"872969"	129.007071	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-2H+NH4"	16.019271
"34673"	246.950266	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M-2H+Na"	20.974666
"474962"	359.938066	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M-2H+Na"	20.974666
"852768"	133.962466	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-2H+Na"	20.974666
"1625583"	133.962466	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Na-2H"	20.974666
"101018"	129.968863	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M-H+Cl"	33.962126
"536927"	186.462763	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M-H+Cl"	33.962126
"929713"	73.474963	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-H+Cl"	33.962126
"271913"	260.945002	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+Cl"	34.969402
"665072"	373.932802	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+Cl"	34.969402
"1276743"	147.957202	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Cl"	34.969402
"22222"	262.924206	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M-2H+K"	36.948606
"459596"	375.912006	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M-2H+K"	36.948606
"839585"	149.936406	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-2H+K"	36.948606
"1559790"	149.936406	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+K-2H"	36.948606
"945484"	157.985994	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-H+HCOOH"	44.998194
"364792"	270.973801	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+HCOOH-H"	44.998201
"347585"	284.989451	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+Hac-H"	59.013851
"1498604"	172.001651	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Hac-H"	59.013851
"963961"	179.967951	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-H+NaCOOH"	66.980151
"120526"	147.957202	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+2Cl"	69.938804
"561180"	204.451102	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+2Cl"	69.938804
"1028888"	91.463302	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2Cl"	69.938804
"1249559"	191.906685	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Br"	78.918885
"1313099"	193.962672	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Cl+HCOOH"	80.974872
"1330597"	215.944629	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Cl+NaCOOH"	102.956829
"920562"	225.973386	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M-H+CF3COOH"	112.985586
"1298361"	261.950064	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Cl+CF3COOH"	148.962264
"1379803"	77.975124	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H-2H2O"	-35.012676
"1383206"	95.9851	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H-H2O"	-17.0027
"284224"	226.982876	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+H"	1.007276
"678472"	339.970676	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+H"	1.007276
"1355915"	113.995076	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H"	1.007276
"133176"	113.995076	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+2H"	2.014552
"574926"	170.488976	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+2H"	2.014552
"1040441"	57.501176	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2H"	2.014552
"209443"	76.332476	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+3H"	3.021828
"647179"	113.995076	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+3H"	3.021828
"1166407"	38.669876	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+3H"	3.021828
"428223"	244.009423	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+NH4"	18.033823
"791404"	356.997223	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+NH4"	18.033823
"1684091"	131.021623	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+NH4"	18.033823
"332734"	122.5083495	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+H+NH4"	19.041099
"726251"	179.0022495	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+H+NH4"	19.041099
"1483355"	66.0144495	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H+NH4"	19.041099
"400946"	248.964818	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+Na"	22.989218
"764491"	361.952618	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+Na"	22.989218
"1607853"	135.977018	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Na"	22.989218
"317892"	124.986047	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+H+Na"	23.996494
"710312"	181.479947	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+H+Na"	23.996494
"1468508"	68.492147	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H+Na"	23.996494
"1059567"	45.99719	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2H+Na"	25.00377
"1258449"	146.021286	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+CH3OH+H"	33.033486
"384194"	264.938758	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+K"	38.963158
"745190"	377.926558	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+K"	38.963158
"1553441"	151.950958	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+K"	38.963158
"309524"	132.973017	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+H+K"	39.970434
"703405"	189.466917	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+H+K"	39.970434
"1458683"	76.479117	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H+K"	39.970434
"249471"	268.009426	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+ACN+H"	42.033826
"1220721"	155.021626	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+ACN+H"	42.033826
"1208617"	78.014451	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+ACN+2H"	43.041102
"198568"	270.94676	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+2Na-H"	44.97116
"638128"	383.93456	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+2Na-H"	44.97116
"1141631"	157.95896	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2Na-H"	44.97116
"185775"	135.977018	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+2Na"	45.978436
"626187"	192.470918	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+2Na"	45.978436
"1127267"	79.483118	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2Na"	45.978436
"1404956"	53.324504	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H+2Na"	46.985712
"1435978"	160.000546	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H+HCOOH"	47.012746
"225672"	141.01004	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+3H2O+2H"	56.04448
"1515920"	174.05259	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+IsoProp+H"	61.06479
"416696"	143.963988	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+Na+K"	61.952376
"779881"	200.457888	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+Na+K"	61.952376
"1678400"	87.470088	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Na+K"	61.952376
"263468"	289.991368	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+ACN+Na"	64.015768
"1238724"	177.003568	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+ACN+Na"	64.015768
"1724693"	177.027093	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+NH4+HCOOH"	64.039293
"1189682"	60.651818	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+3Na"	68.967654
"1659577"	181.982488	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Na+HCOOH"	68.994688
"167167"	302.89464	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+2K-H"	76.91904
"604539"	415.88244	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+2K-H"	76.91904
"1091603"	189.90684	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2K-H"	76.91904
"148417"	151.950958	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"2M+2K"	77.926316
"585061"	208.444858	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"3M+2K"	77.926316
"1076863"	95.457058	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2K"	77.926316
"1100595"	191.921392	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2K+H"	78.933592
"1347561"	192.009007	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+DMSO+H"	79.021207
"1013911"	196.048176	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2ACN+H"	83.060376
"1533125"	197.041808	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+IsoProp+Na+H"	84.054008
"997390"	98.527726	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+2ACN+2H"	84.067652
"1596268"	197.956428	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+K+HCOOH"	84.968628
"1423018"	227.987938	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+H+CF3COOH"	115.000138
"1154402"	119.041001	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+3ACN+2H"	125.094202
"1710515"	245.014485	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+NH4+CF3COOH"	132.026685
"1646165"	249.96988	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+Na+CF3COOH"	136.98208
"1574161"	265.94382	"C03629"	"O-Phosphorylhydroxylamine;O-Phosphonohydroxylamine"	"H2PO4NH2"	"112.9878"	"M+K+CF3COOH"	152.95602
"807811"	434.2433	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M"	0
"978062"	415.22491	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-H2O-H"	-19.01839
"69589"	288.488257333333	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M-3H"	-3.021828
"505865"	433.236024	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M-3H"	-3.021828
"883666"	143.740490666667	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-3H"	-3.021828
"2242"	433.236024	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M-2H"	-2.014552
"446178"	650.357674	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M-2H"	-2.014552
"821797"	216.114374	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-2H"	-2.014552
"87257"	867.479324	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M-H"	-1.007276
"526824"	1301.722624	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M-H"	-1.007276
"899156"	433.236024	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-H"	-1.007276
"52800"	884.505871	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M-2H+NH4"	16.019271
"495277"	1318.749171	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M-2H+NH4"	16.019271
"873079"	450.262571	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-2H+NH4"	16.019271
"34055"	889.461266	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M-2H+Na"	20.974666
"474343"	1323.704566	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M-2H+Na"	20.974666
"853242"	455.217966	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-2H+Na"	20.974666
"1626785"	455.217966	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Na-2H"	20.974666
"98941"	451.224363	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M-H+Cl"	33.962126
"536309"	668.346013	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M-H+Cl"	33.962126
"929459"	234.102713	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-H+Cl"	33.962126
"270201"	903.456002	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+Cl"	34.969402
"662993"	1337.699302	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+Cl"	34.969402
"1277582"	469.212702	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Cl"	34.969402
"22332"	905.435206	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M-2H+K"	36.948606
"459706"	1339.678506	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M-2H+K"	36.948606
"838602"	471.191906	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-2H+K"	36.948606
"1562086"	471.191906	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+K-2H"	36.948606
"947781"	479.241494	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-H+HCOOH"	44.998194
"363810"	913.484801	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+HCOOH-H"	44.998201
"350975"	927.500451	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+Hac-H"	59.013851
"1498714"	493.257151	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Hac-H"	59.013851
"964071"	501.223451	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-H+NaCOOH"	66.980151
"121729"	469.212702	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+2Cl"	69.938804
"561292"	686.334352	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+2Cl"	69.938804
"1030092"	252.091052	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2Cl"	69.938804
"1251855"	513.162185	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Br"	78.918885
"1311023"	515.218172	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Cl+HCOOH"	80.974872
"1329613"	537.200129	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Cl+NaCOOH"	102.956829
"922858"	547.228886	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M-H+CF3COOH"	112.985586
"1298471"	583.205564	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Cl+CF3COOH"	148.962264
"1374445"	399.230624	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H-2H2O"	-35.012676
"1383680"	417.2406	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H-H2O"	-17.0027
"283972"	869.493876	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+H"	1.007276
"677489"	1303.737176	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+H"	1.007276
"1356025"	435.250576	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H"	1.007276
"130008"	435.250576	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+2H"	2.014552
"573943"	652.372226	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+2H"	2.014552
"1039457"	218.128926	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2H"	2.014552
"208460"	290.502809333333	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+3H"	3.021828
"649476"	435.250576	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+3H"	3.021828
"1167971"	145.755042666667	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+3H"	3.021828
"428696"	886.520423	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+NH4"	18.033823
"791513"	1320.763723	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+NH4"	18.033823
"1685656"	452.277123	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+NH4"	18.033823
"337218"	443.7638495	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+H+NH4"	19.041099
"731827"	660.8854995	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+H+NH4"	19.041099
"1482366"	226.6421995	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H+NH4"	19.041099
"402138"	891.475818	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+Na"	22.989218
"763138"	1325.719118	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+Na"	22.989218
"1607962"	457.232518	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Na"	22.989218
"318001"	446.241547	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+H+Na"	23.996494
"710422"	663.363197	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+H+Na"	23.996494
"1466431"	229.119897	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H+Na"	23.996494
"1062957"	153.082356666667	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2H+Na"	25.00377
"1259168"	467.276786	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+CH3OH+H"	33.033486
"382118"	907.449758	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+K"	38.963158
"742020"	1341.693058	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+K"	38.963158
"1551362"	473.206458	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+K"	38.963158
"309268"	454.228517	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+H+K"	39.970434
"703514"	671.350167	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+H+K"	39.970434
"1456970"	237.106867	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H+K"	39.970434
"247759"	910.520426	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+ACN+H"	42.033826
"1219739"	476.277126	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+ACN+H"	42.033826
"1205808"	238.642201	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+ACN+2H"	43.041102
"200499"	913.45776	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+2Na-H"	44.97116
"639330"	1347.70106	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+2Na-H"	44.97116
"1139554"	479.21446	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2Na-H"	44.97116
"183939"	457.232518	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+2Na"	45.978436
"626782"	674.354168	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+2Na"	45.978436
"1121544"	240.110868	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2Na"	45.978436
"1405066"	160.409670666667	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H+2Na"	46.985712
"1437181"	481.256046	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H+HCOOH"	47.012746
"225782"	462.26554	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+3H2O+2H"	56.04448
"1517123"	495.30809	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+IsoProp+H"	61.06479
"416807"	465.219488	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+Na+K"	61.952376
"779991"	682.341138	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+Na+K"	61.952376
"1673042"	248.097838	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Na+K"	61.952376
"261748"	932.502368	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+ACN+Na"	64.015768
"1238471"	498.259068	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+ACN+Na"	64.015768
"1723344"	498.282593	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+NH4+HCOOH"	64.039293
"1190521"	167.736984666667	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+3Na"	68.967654
"1660780"	503.237988	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Na+HCOOH"	68.994688
"166548"	945.40564	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+2K-H"	76.91904
"606835"	1379.64894	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+2K-H"	76.91904
"1091713"	511.16234	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2K-H"	76.91904
"148526"	473.206458	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"2M+2K"	77.926316
"585899"	690.328108	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"3M+2K"	77.926316
"1073693"	256.084808	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2K"	77.926316
"1100459"	513.176892	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2K+H"	78.933592
"1347671"	513.264507	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+DMSO+H"	79.021207
"1017301"	517.303676	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2ACN+H"	83.060376
"1533235"	518.297308	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+IsoProp+Na+H"	84.054008
"1000779"	259.155476	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+2ACN+2H"	84.067652
"1593098"	519.211928	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+K+HCOOH"	84.968628
"1423127"	549.243438	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+H+CF3COOH"	115.000138
"1155605"	279.668751	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+3ACN+2H"	125.094202
"1707344"	566.269985	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+NH4+CF3COOH"	132.026685
"1642995"	571.22538	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+Na+CF3COOH"	136.98208
"1574271"	587.19932	"C03630"	"Oleoylglycerone phosphate"	"C21H39O7P"	"434.2433"	"M+K+CF3COOH"	152.95602
"815216"	504.2723	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M"	0
"978177"	485.25391	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-H2O-H"	-19.01839
"70794"	335.174257333333	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M-3H"	-3.021828
"508168"	503.265024	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M-3H"	-3.021828
"885969"	167.083490666667	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-3H"	-3.021828
"7823"	503.265024	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M-2H"	-2.014552
"454801"	755.401174	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M-2H"	-2.014552
"824097"	251.128874	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-2H"	-2.014552
"88468"	1007.537324	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M-H"	-1.007276
"524748"	1511.809624	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M-H"	-1.007276
"905830"	503.265024	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-H"	-1.007276
"51092"	1024.563871	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M-2H+NH4"	16.019271
"491744"	1528.836171	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M-2H+NH4"	16.019271
"868089"	520.291571	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-2H+NH4"	16.019271
"40001"	1029.519266	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M-2H+Na"	20.974666
"476280"	1533.791566	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M-2H+Na"	20.974666
"852621"	525.246966	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-2H+Na"	20.974666
"1620336"	525.246966	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Na-2H"	20.974666
"98321"	521.253363	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M-H+Cl"	33.962126
"537515"	773.389513	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M-H+Cl"	33.962126
"932122"	269.117213	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-H+Cl"	33.962126
"279072"	1043.514002	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+Cl"	34.969402
"674901"	1547.786302	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+Cl"	34.969402
"1286088"	539.241702	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Cl"	34.969402
"27913"	1045.493206	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M-2H+K"	36.948606
"468202"	1549.765506	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M-2H+K"	36.948606
"843087"	541.220906	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-2H+K"	36.948606
"1567669"	541.220906	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+K-2H"	36.948606
"953365"	549.270494	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-H+HCOOH"	44.998194
"371580"	1053.542801	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+HCOOH-H"	44.998201
"351089"	1067.558451	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+Hac-H"	59.013851
"1498828"	563.286151	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Hac-H"	59.013851
"970751"	571.252451	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-H+NaCOOH"	66.980151
"122939"	539.241702	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+2Cl"	69.938804
"562500"	791.377852	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+2Cl"	69.938804
"1030203"	287.105552	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2Cl"	69.938804
"1255247"	583.191185	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Br"	78.918885
"1316603"	585.247172	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Cl+HCOOH"	80.974872
"1331911"	607.229129	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Cl+NaCOOH"	102.956829
"920782"	617.257886	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M-H+CF3COOH"	112.985586
"1298583"	653.234564	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Cl+CF3COOH"	148.962264
"1370183"	469.259624	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H-2H2O"	-35.012676
"1385492"	487.2696	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H-H2O"	-17.0027
"285177"	1009.551876	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+H"	1.007276
"683070"	1513.824176	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+H"	1.007276
"1354678"	505.279576	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H"	1.007276
"136687"	505.279576	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+2H"	2.014552
"578435"	757.415726	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+2H"	2.014552
"1041768"	253.143426	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2H"	2.014552
"209669"	337.188809333333	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+3H"	3.021828
"649233"	505.279576	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+3H"	3.021828
"1168453"	169.098042666667	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+3H"	3.021828
"429536"	1026.578423	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+NH4"	18.033823
"790534"	1530.850723	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+NH4"	18.033823
"1685771"	522.306123	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+NH4"	18.033823
"336236"	513.7928495	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+H+NH4"	19.041099
"729753"	765.9289995	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+H+NH4"	19.041099
"1483572"	261.6566995	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H+NH4"	19.041099
"403350"	1031.533818	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+Na"	22.989218
"762161"	1535.806118	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+Na"	22.989218
"1604795"	527.261518	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Na"	22.989218
"314952"	516.270547	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+H+Na"	23.996494
"714909"	768.406697	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+H+Na"	23.996494
"1473103"	264.134397	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H+Na"	23.996494
"1061974"	176.425356666667	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2H+Na"	25.00377
"1261465"	537.305786	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+CH3OH+H"	33.033486
"390976"	1047.507758	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+K"	38.963158
"750878"	1551.780058	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+K"	38.963158
"1552568"	543.235458	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+K"	38.963158
"307920"	524.257517	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+H+K"	39.970434
"703260"	776.393667	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+H+K"	39.970434
"1454165"	272.121367	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H+K"	39.970434
"246047"	1050.578426	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+ACN+H"	42.033826
"1216567"	546.306126	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+ACN+H"	42.033826
"1202637"	273.656701	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+ACN+2H"	43.041102
"193321"	1053.51576	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+2Na-H"	44.97116
"637257"	1557.78806	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+2Na-H"	44.97116
"1142948"	549.24346	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2Na-H"	44.97116
"175308"	527.261518	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+2Na"	45.978436
"615962"	779.397668	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+2Na"	45.978436
"1117400"	275.125368	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2Na"	45.978436
"1407363"	183.752670666667	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H+2Na"	46.985712
"1437291"	551.285046	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H+HCOOH"	47.012746
"230267"	532.29454	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+3H2O+2H"	56.04448
"1518330"	565.33709	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+IsoProp+H"	61.06479
"420204"	535.248488	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+Na+K"	61.952376
"782292"	787.384638	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+Na+K"	61.952376
"1678623"	283.112338	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Na+K"	61.952376
"261864"	1072.560368	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+ACN+Na"	64.015768
"1232381"	568.288068	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+ACN+Na"	64.015768
"1717989"	568.311593	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+NH4+HCOOH"	64.039293
"1188444"	191.079984666667	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+3Na"	68.967654
"1658699"	573.266988	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Na+HCOOH"	68.994688
"165560"	1085.46364	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+2K-H"	76.91904
"604027"	1589.73594	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+2K-H"	76.91904
"1090726"	581.19134	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2K-H"	76.91904
"144262"	543.235458	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"2M+2K"	77.926316
"582849"	795.371608	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"3M+2K"	77.926316
"1083424"	291.099308	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2K"	77.926316
"1114563"	583.205892	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2K+H"	78.933592
"1350956"	583.293507	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+DMSO+H"	79.021207
"1020451"	587.332676	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2ACN+H"	83.060376
"1539843"	588.326308	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+IsoProp+Na+H"	84.054008
"1003079"	294.169976	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+2ACN+2H"	84.067652
"1595395"	589.240928	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+K+HCOOH"	84.968628
"1419961"	619.272438	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+H+CF3COOH"	115.000138
"1158998"	314.683251	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+3ACN+2H"	125.094202
"1709278"	636.298985	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+NH4+CF3COOH"	132.026685
"1636545"	641.25438	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+Na+CF3COOH"	136.98208
"1577665"	657.22832	"C03634"	"Phorbol 1213-dibutanoate;Phorbol-1213-dibutyrate"	"C28H40O8"	"504.2723"	"M+K+CF3COOH"	152.95602
"804756"	465.3457	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M"	0
"979380"	446.32731	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-H2O-H"	-19.01839
"76381"	309.223190666667	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M-3H"	-3.021828
"517763"	464.338424	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M-3H"	-3.021828
"891554"	154.107957333333	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-3H"	-3.021828
"9040"	464.338424	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M-2H"	-2.014552
"446411"	697.011274	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M-2H"	-2.014552
"817892"	231.665574	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-2H"	-2.014552
"82019"	929.684124	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M-H"	-1.007276
"522673"	1395.029824	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M-H"	-1.007276
"903755"	464.338424	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-H"	-1.007276
"53757"	946.710671	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M-2H+NH4"	16.019271
"496598"	1412.056371	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M-2H+NH4"	16.019271
"875494"	481.364971	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-2H+NH4"	16.019271
"37925"	951.666066	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M-2H+Na"	20.974666
"477486"	1417.011766	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M-2H+Na"	20.974666
"851637"	486.320366	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-2H+Na"	20.974666
"1630295"	486.320366	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Na-2H"	20.974666
"96615"	482.326763	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M-H+Cl"	33.962126
"540916"	714.999613	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M-H+Cl"	33.962126
"940628"	249.653913	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-H+Cl"	33.962126
"281985"	965.660802	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+Cl"	34.969402
"674525"	1431.006502	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+Cl"	34.969402
"1288291"	500.315102	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Cl"	34.969402
"29846"	967.640006	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M-2H+K"	36.948606
"471377"	1432.985706	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M-2H+K"	36.948606
"845384"	502.294306	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-2H+K"	36.948606
"1564507"	502.294306	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+K-2H"	36.948606
"950203"	510.343894	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-H+HCOOH"	44.998194
"368417"	975.689601	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+HCOOH-H"	44.998201
"352300"	989.705251	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+Hac-H"	59.013851
"1505507"	524.359551	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Hac-H"	59.013851
"968674"	532.325851	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-H+NaCOOH"	66.980151
"124143"	500.315102	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+2Cl"	69.938804
"563702"	732.987952	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+2Cl"	69.938804
"1035781"	267.642252	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2Cl"	69.938804
"1254263"	544.264585	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Br"	78.918885
"1315619"	546.320572	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Cl+HCOOH"	80.974872
"1334207"	568.302529	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Cl+NaCOOH"	102.956829
"921986"	578.331286	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M-H+CF3COOH"	112.985586
"1293226"	614.307964	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Cl+CF3COOH"	148.962264
"1371391"	430.333024	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H-2H2O"	-35.012676
"1394726"	448.343	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H-H2O"	-17.0027
"292957"	931.698676	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+H"	1.007276
"687561"	1397.044376	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+H"	1.007276
"1360630"	466.352976	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H"	1.007276
"133521"	466.352976	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+2H"	2.014552
"568708"	699.025826	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+2H"	2.014552
"1037992"	233.680126	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2H"	2.014552
"209782"	311.237742666667	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+3H"	3.021828
"648614"	466.352976	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+3H"	3.021828
"1170749"	156.122509333333	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+3H"	3.021828
"436208"	948.725223	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+NH4"	18.033823
"790643"	1414.070923	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+NH4"	18.033823
"1690263"	483.379523	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+NH4"	18.033823
"340729"	474.8662495	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+H+NH4"	19.041099
"726592"	707.5390995	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+H+NH4"	19.041099
"1480412"	242.1933995	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H+NH4"	19.041099
"394719"	953.680618	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+Na"	22.989218
"755349"	1419.026318	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+Na"	22.989218
"1605998"	488.334918	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Na"	22.989218
"315307"	477.343947	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+H+Na"	23.996494
"716110"	710.016797	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+H+Na"	23.996494
"1468841"	244.671097	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H+Na"	23.996494
"1068203"	163.449823333333	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2H+Na"	25.00377
"1263763"	498.379186	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+CH3OH+H"	33.033486
"388900"	969.654558	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+K"	38.963158
"754151"	1435.000258	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+K"	38.963158
"1552679"	504.308858	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+K"	38.963158
"311314"	485.330917	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+H+K"	39.970434
"699361"	718.003767	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+H+K"	39.970434
"1452087"	252.658067	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H+K"	39.970434
"238865"	972.725226	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+ACN+H"	42.033826
"1213397"	507.379526	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+ACN+H"	42.033826
"1196549"	254.193401	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+ACN+2H"	43.041102
"191243"	975.66256	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+2Na-H"	44.97116
"630803"	1441.00826	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+2Na-H"	44.97116
"1136132"	510.31686	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2Na-H"	44.97116
"177234"	488.334918	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+2Na"	45.978436
"621535"	721.007768	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+2Na"	45.978436
"1121760"	255.662068	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2Na"	45.978436
"1399819"	170.777137333333	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H+2Na"	46.985712
"1434123"	512.358446	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H+HCOOH"	47.012746
"231470"	493.36794	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+3H2O+2H"	56.04448
"1518439"	526.41049	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+IsoProp+H"	61.06479
"419220"	496.321888	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+Na+K"	61.952376
"780214"	728.994738	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+Na+K"	61.952376
"1674358"	263.649038	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Na+K"	61.952376
"258690"	994.707168	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+ACN+Na"	64.015768
"1230305"	529.361468	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+ACN+Na"	64.015768
"1721377"	529.384993	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+NH4+HCOOH"	64.039293
"1188914"	178.104451333333	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+3Na"	68.967654
"1657717"	534.340388	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Na+HCOOH"	68.994688
"161305"	1007.61044	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+2K-H"	76.91904
"609627"	1472.95614	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+2K-H"	76.91904
"1097301"	542.26474	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2K-H"	76.91904
"155208"	504.308858	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"2M+2K"	77.926316
"595738"	736.981708	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"3M+2K"	77.926316
"1081586"	271.636008	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2K"	77.926316
"1111514"	544.279292	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2K+H"	78.933592
"1350090"	544.366907	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+DMSO+H"	79.021207
"1017526"	548.406076	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2ACN+H"	83.060376
"1538566"	549.399708	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+IsoProp+Na+H"	84.054008
"999910"	274.706676	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+2ACN+2H"	84.067652
"1600973"	550.314328	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+K+HCOOH"	84.968628
"1421167"	580.345838	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+H+CF3COOH"	115.000138
"1156923"	295.219951	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+3ACN+2H"	125.094202
"1705383"	597.372385	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+NH4+CF3COOH"	132.026685
"1643220"	602.32778	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+Na+CF3COOH"	136.98208
"1577779"	618.30172	"C03640"	"Sphingosyl-phosphocholine"	"C23H50N2O5P"	"465.3457"	"M+K+CF3COOH"	152.95602
"804866"	410.2668	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M"	0
"975237"	391.24841	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-H2O-H"	-19.01839
"78345"	272.503924	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M-3H"	-3.021828
"517144"	409.259524	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M-3H"	-3.021828
"891665"	135.748324	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-3H"	-3.021828
"10243"	409.259524	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M-2H"	-2.014552
"445428"	614.392924	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M-2H"	-2.014552
"819950"	204.126124	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-2H"	-2.014552
"79695"	819.526324	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M-H"	-1.007276
"526065"	1229.793124	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M-H"	-1.007276
"903865"	409.259524	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-H"	-1.007276
"53867"	836.552871	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M-2H+NH4"	16.019271
"498896"	1246.819671	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M-2H+NH4"	16.019271
"875604"	426.286071	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-2H+NH4"	16.019271
"36942"	841.508266	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M-2H+Na"	20.974666
"477596"	1251.775066	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M-2H+Na"	20.974666
"851383"	431.241466	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-2H+Na"	20.974666
"1628219"	431.241466	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Na-2H"	20.974666
"98185"	427.247863	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M-H+Cl"	33.962126
"546494"	632.381263	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M-H+Cl"	33.962126
"937823"	222.114463	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-H+Cl"	33.962126
"280397"	855.503002	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+Cl"	34.969402
"673177"	1265.769802	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+Cl"	34.969402
"1283393"	445.236202	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Cl"	34.969402
"24855"	857.482206	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M-2H+K"	36.948606
"467695"	1267.749006	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M-2H+K"	36.948606
"844401"	447.215406	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-2H+K"	36.948606
"1563524"	447.215406	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+K-2H"	36.948606
"953593"	455.264994	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-H+HCOOH"	44.998194
"371808"	865.531801	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+HCOOH-H"	44.998201
"351679"	879.547451	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+Hac-H"	59.013851
"1505617"	469.280651	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Hac-H"	59.013851
"966596"	477.246951	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-H+NaCOOH"	66.980151
"122065"	445.236202	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+2Cl"	69.938804
"561625"	650.369602	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+2Cl"	69.938804
"1034798"	240.102802	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2Cl"	69.938804
"1251094"	489.185685	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Br"	78.918885
"1313543"	491.241672	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Cl+HCOOH"	80.974872
"1329943"	513.223629	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Cl+NaCOOH"	102.956829
"922096"	523.252386	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M-H+CF3COOH"	112.985586
"1291150"	559.229064	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Cl+CF3COOH"	148.962264
"1369315"	375.254124	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H-2H2O"	-35.012676
"1391189"	393.2641	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H-H2O"	-17.0027
"294523"	821.540876	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+H"	1.007276
"685487"	1231.807676	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+H"	1.007276
"1360741"	411.274076	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H"	1.007276
"132538"	411.274076	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+2H"	2.014552
"569182"	616.407476	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+2H"	2.014552
"1043085"	206.140676	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2H"	2.014552
"208799"	274.518476	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+3H"	3.021828
"648360"	411.274076	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+3H"	3.021828
"1169764"	137.762876	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+3H"	3.021828
"433038"	838.567423	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+NH4"	18.033823
"790754"	1248.834223	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+NH4"	18.033823
"1688190"	428.300623	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+NH4"	18.033823
"339746"	419.7873495	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+H+NH4"	19.041099
"725609"	624.9207495	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+H+NH4"	19.041099
"1479793"	214.6539495	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H+NH4"	19.041099
"396287"	843.522818	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+Na"	22.989218
"756188"	1253.789618	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+Na"	22.989218
"1607201"	433.256018	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Na"	22.989218
"318697"	422.265047	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+H+Na"	23.996494
"716220"	627.398447	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+H+Na"	23.996494
"1470044"	217.131647	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H+Na"	23.996494
"1067747"	145.09019	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2H+Na"	25.00377
"1264966"	443.300286	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+CH3OH+H"	33.033486
"389010"	859.496758	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+K"	38.963158
"753166"	1269.763558	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+K"	38.963158
"1552060"	449.229958	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+K"	38.963158
"311424"	430.252017	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+H+K"	39.970434
"697284"	635.385417	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+H+K"	39.970434
"1451103"	225.118617	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H+K"	39.970434
"237518"	862.567426	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+ACN+H"	42.033826
"1213507"	452.300626	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+ACN+H"	42.033826
"1195568"	226.653951	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+ACN+2H"	43.041102
"190986"	865.50476	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+2Na-H"	44.97116
"630547"	1275.77156	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+2Na-H"	44.97116
"1133322"	455.23796	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2Na-H"	44.97116
"174548"	433.256018	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+2Na"	45.978436
"616541"	638.389418	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+2Na"	45.978436
"1118591"	228.122618	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2Na"	45.978436
"1401022"	152.417504	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H+2Na"	46.985712
"1438606"	457.279546	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H+HCOOH"	47.012746
"227206"	438.28904	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+3H2O+2H"	56.04448
"1516362"	471.33159	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+IsoProp+H"	61.06479
"417143"	441.242988	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+Na+K"	61.952376
"777044"	646.376388	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+Na+K"	61.952376
"1674468"	236.109588	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Na+K"	61.952376
"257707"	884.549368	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+ACN+Na"	64.015768
"1231509"	474.282568	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+ACN+Na"	64.015768
"1720394"	474.306093	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+NH4+HCOOH"	64.039293
"1186838"	159.744818	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+3Na"	68.967654
"1654549"	479.261488	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Na+HCOOH"	68.994688
"160322"	897.45264	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+2K-H"	76.91904
"608644"	1307.71944	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+2K-H"	76.91904
"1096438"	487.18584	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2K-H"	76.91904
"156535"	449.229958	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"2M+2K"	77.926316
"595969"	654.363358	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"3M+2K"	77.926316
"1080602"	244.096558	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2K"	77.926316
"1111624"	489.200392	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2K+H"	78.933592
"1349833"	489.288007	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+DMSO+H"	79.021207
"1018729"	493.327176	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2ACN+H"	83.060376
"1537946"	494.320808	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+IsoProp+Na+H"	84.054008
"1000020"	247.167226	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+2ACN+2H"	84.067652
"1598897"	495.235428	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+K+HCOOH"	84.968628
"1421277"	525.266938	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+H+CF3COOH"	115.000138
"1158126"	267.680501	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+3ACN+2H"	125.094202
"1705493"	542.293485	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+NH4+CF3COOH"	132.026685
"1643330"	547.24888	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+Na+CF3COOH"	136.98208
"1577889"	563.22282	"C03641"	"Sterol 3-beta-D-glucoside"	"C23H38O6"	"410.2668"	"M+K+CF3COOH"	152.95602
"808256"	563.2587	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M"	0
"975226"	544.24031	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-H2O-H"	-19.01839
"76602"	374.498524	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M-3H"	-3.021828
"516890"	562.251424	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M-3H"	-3.021828
"891772"	186.745624	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-3H"	-3.021828
"7073"	562.251424	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M-2H"	-2.014552
"447725"	843.880774	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M-2H"	-2.014552
"822246"	280.622074	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-2H"	-2.014552
"78995"	1125.510124	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M-H"	-1.007276
"527268"	1688.768824	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M-H"	-1.007276
"902882"	562.251424	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-H"	-1.007276
"52884"	1142.536671	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M-2H+NH4"	16.019271
"496819"	1705.795371	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M-2H+NH4"	16.019271
"875714"	579.277971	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-2H+NH4"	16.019271
"37052"	1147.492066	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M-2H+Na"	20.974666
"477706"	1710.750766	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M-2H+Na"	20.974666
"849673"	584.233366	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-2H+Na"	20.974666
"1630515"	584.233366	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Na-2H"	20.974666
"107043"	580.239763	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M-H+Cl"	33.962126
"549481"	861.869113	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M-H+Cl"	33.962126
"942266"	298.610413	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-H+Cl"	33.962126
"280140"	1161.486802	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+Cl"	34.969402
"673287"	1724.745502	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+Cl"	34.969402
"1284596"	598.228102	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Cl"	34.969402
"30066"	1163.466006	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M-2H+K"	36.948606
"466709"	1726.724706	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M-2H+K"	36.948606
"842323"	600.207306	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-2H+K"	36.948606
"1563634"	600.207306	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+K-2H"	36.948606
"953703"	608.256894	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-H+HCOOH"	44.998194
"367545"	1171.515601	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+HCOOH-H"	44.998201
"352520"	1185.531251	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+Hac-H"	59.013851
"1504634"	622.272551	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Hac-H"	59.013851
"967799"	630.238851	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-H+NaCOOH"	66.980151
"122175"	598.228102	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+2Cl"	69.938804
"561735"	879.857452	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+2Cl"	69.938804
"1033814"	316.598752	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2Cl"	69.938804
"1252297"	642.177585	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Br"	78.918885
"1315839"	644.233572	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Cl+HCOOH"	80.974872
"1328960"	666.215529	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Cl+NaCOOH"	102.956829
"918926"	676.244286	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M-H+CF3COOH"	112.985586
"1288827"	712.220964	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Cl+CF3COOH"	148.962264
"1369425"	528.246024	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H-2H2O"	-35.012676
"1391299"	546.256	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H-H2O"	-17.0027
"293172"	1127.524676	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+H"	1.007276
"680492"	1690.783376	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+H"	1.007276
"1359758"	564.265976	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H"	1.007276
"129732"	564.265976	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+2H"	2.014552
"569291"	845.895326	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+2H"	2.014552
"1041372"	282.636626	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2H"	2.014552
"208179"	376.513076	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+3H"	3.021828
"649560"	564.265976	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+3H"	3.021828
"1170968"	188.760176	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+3H"	3.021828
"430960"	1144.551223	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+NH4"	18.033823
"791957"	1707.809923	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+NH4"	18.033823
"1693761"	581.292523	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+NH4"	18.033823
"340949"	572.7792495	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+H+NH4"	19.041099
"725719"	854.4085995	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+H+NH4"	19.041099
"1480633"	291.1498995	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H+NH4"	19.041099
"396033"	1149.506618	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+Na"	22.989218
"755204"	1712.765318	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+Na"	22.989218
"1606218"	586.247918	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Na"	22.989218
"320630"	575.256947	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+H+Na"	23.996494
"715237"	856.886297	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+H+Na"	23.996494
"1471247"	293.627597	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H+Na"	23.996494
"1067530"	196.08749	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2H+Na"	25.00377
"1263983"	596.292186	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+CH3OH+H"	33.033486
"389121"	1165.480558	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+K"	38.963158
"749022"	1728.739258	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+K"	38.963158
"1547796"	602.221858	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+K"	38.963158
"307160"	583.243917	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+H+K"	39.970434
"696299"	864.873267	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+H+K"	39.970434
"1446838"	301.614567	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H+K"	39.970434
"236533"	1168.551226	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+ACN+H"	42.033826
"1214710"	605.292526	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+ACN+H"	42.033826
"1196407"	303.149901	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+ACN+2H"	43.041102
"190733"	1171.48856	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+2Na-H"	44.97116
"629928"	1734.74726	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+2Na-H"	44.97116
"1134164"	608.22986	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2Na-H"	44.97116
"175634"	586.247918	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+2Na"	45.978436
"615558"	867.877268	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+2Na"	45.978436
"1118701"	304.618568	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2Na"	45.978436
"1402226"	203.414804	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H+2Na"	46.985712
"1436165"	610.271446	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H+HCOOH"	47.012746
"227316"	591.28094	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+3H2O+2H"	56.04448
"1511005"	624.32349	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+IsoProp+H"	61.06479
"413973"	594.234888	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+Na+K"	61.952376
"777154"	875.864238	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+Na+K"	61.952376
"1671298"	312.605538	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Na+K"	61.952376
"256723"	1190.533168	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+ACN+Na"	64.015768
"1232712"	627.274468	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+ACN+Na"	64.015768
"1720869"	627.297993	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+NH4+HCOOH"	64.039293
"1188041"	210.742118	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+3Na"	68.967654
"1655749"	632.253388	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Na+HCOOH"	68.994688
"160432"	1203.43644	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+2K-H"	76.91904
"612604"	1766.69514	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+2K-H"	76.91904
"1099425"	640.17774	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2K-H"	76.91904
"154452"	602.221858	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"2M+2K"	77.926316
"596566"	883.851208	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"3M+2K"	77.926316
"1079617"	320.592508	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2K"	77.926316
"1110639"	642.192292	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2K+H"	78.933592
"1350185"	642.279907	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+DMSO+H"	79.021207
"1018839"	646.319076	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2ACN+H"	83.060376
"1539396"	647.312708	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+IsoProp+Na+H"	84.054008
"1001223"	323.663176	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+2ACN+2H"	84.067652
"1600100"	648.227328	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+K+HCOOH"	84.968628
"1424667"	678.258838	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+H+CF3COOH"	115.000138
"1158236"	344.176451	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+3ACN+2H"	125.094202
"1705603"	695.285385	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+NH4+CF3COOH"	132.026685
"1643440"	700.24078	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+Na+CF3COOH"	136.98208
"1577999"	716.21472	"C03642"	"Taurolithocholate sulfate;3alpha-Sulfatolithocholyltaurine;Taurolithocholic acid 3-sulfate"	"C26H45NO8S2"	"563.2587"	"M+K+CF3COOH"	152.95602
"815300"	498.109	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M"	0
"987010"	479.09061	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-H2O-H"	-19.01839
"74523"	331.065390666667	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M-3H"	-3.021828
"504608"	497.101724	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M-3H"	-3.021828
"884233"	165.029057333333	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-3H"	-3.021828
"621"	497.101724	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M-2H"	-2.014552
"440785"	746.156224	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M-2H"	-2.014552
"820172"	248.047224	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-2H"	-2.014552
"86726"	995.210724	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M-H"	-1.007276
"527379"	1493.319724	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M-H"	-1.007276
"909435"	497.101724	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-H"	-1.007276
"57369"	1012.237271	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M-2H+NH4"	16.019271
"501913"	1510.346271	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M-2H+NH4"	16.019271
"876920"	514.128271	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-2H+NH4"	16.019271
"46523"	1017.192666	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M-2H+Na"	20.974666
"476727"	1515.301666	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M-2H+Na"	20.974666
"853438"	519.083666	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-2H+Na"	20.974666
"1626251"	519.083666	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Na-2H"	20.974666
"98405"	515.090063	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M-H+Cl"	33.962126
"547082"	764.144563	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M-H+Cl"	33.962126
"938044"	266.035563	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-H+Cl"	33.962126
"277334"	1031.187402	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+Cl"	34.969402
"671212"	1529.296402	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+Cl"	34.969402
"1282523"	533.078402	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Cl"	34.969402
"26173"	1033.166606	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M-2H+K"	36.948606
"464639"	1531.275606	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M-2H+K"	36.948606
"842442"	535.057606	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-2H+K"	36.948606
"1563743"	535.057606	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+K-2H"	36.948606
"950897"	543.107194	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-H+HCOOH"	44.998194
"368747"	1041.216201	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+HCOOH-H"	44.998201
"355913"	1055.231851	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+Hac-H"	59.013851
"1500371"	557.122851	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Hac-H"	59.013851
"965724"	565.089151	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-H+NaCOOH"	66.980151
"121192"	533.078402	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+2Cl"	69.938804
"557471"	782.132902	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+2Cl"	69.938804
"1030644"	284.023902	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2Cl"	69.938804
"1249130"	577.027885	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Br"	78.918885
"1307568"	579.083872	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Cl+HCOOH"	80.974872
"1321055"	601.065829	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Cl+NaCOOH"	102.956829
"916123"	611.094586	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M-H+CF3COOH"	112.985586
"1291009"	647.071264	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Cl+CF3COOH"	148.962264
"1371725"	463.096324	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H-2H2O"	-35.012676
"1389225"	481.1063	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H-H2O"	-17.0027
"293284"	997.225276	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+H"	1.007276
"683518"	1495.334276	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+H"	1.007276
"1358774"	499.116276	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H"	1.007276
"130570"	499.116276	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+2H"	2.014552
"571224"	748.170776	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+2H"	2.014552
"1042208"	250.061776	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2H"	2.014552
"210111"	333.079942666667	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+3H"	3.021828
"654047"	499.116276	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+3H"	3.021828
"1168891"	167.043609333333	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+3H"	3.021828
"435455"	1014.251823	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+NH4"	18.033823
"790986"	1512.360823	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+NH4"	18.033823
"1684036"	516.142823	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+NH4"	18.033823
"330490"	507.6295495	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+H+NH4"	19.041099
"725827"	756.6840495	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+H+NH4"	19.041099
"1477700"	258.5750495	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H+NH4"	19.041099
"393953"	1019.207218	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+Na"	22.989218
"754706"	1517.316218	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+Na"	22.989218
"1603532"	521.098218	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Na"	22.989218
"316730"	510.107247	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+H+Na"	23.996494
"713161"	759.161747	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+H+Na"	23.996494
"1471357"	261.052747	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H+Na"	23.996494
"1060229"	174.370923333333	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2H+Na"	25.00377
"1268469"	531.142486	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+CH3OH+H"	33.033486
"389233"	1035.181158	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+K"	38.963158
"751321"	1533.290158	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+K"	38.963158
"1546812"	537.072158	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+K"	38.963158
"306175"	518.094217	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+H+K"	39.970434
"695316"	767.148717	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+H+K"	39.970434
"1448044"	269.039717	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H+K"	39.970434
"238101"	1038.251826	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+ACN+H"	42.033826
"1213721"	540.142826	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+ACN+H"	42.033826
"1198699"	270.575051	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+ACN+2H"	43.041102
"192298"	1041.18916	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+2Na-H"	44.97116
"631495"	1539.29816	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+2Na-H"	44.97116
"1132448"	543.08016	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2Na-H"	44.97116
"173552"	521.098218	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+2Na"	45.978436
"617493"	770.152718	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+2Na"	45.978436
"1119905"	272.043718	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2Na"	45.978436
"1401244"	181.698237333333	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H+2Na"	46.985712
"1437005"	545.121746	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H+HCOOH"	47.012746
"224150"	526.13124	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+3H2O+2H"	56.04448
"1515493"	559.17379	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+IsoProp+H"	61.06479
"414085"	529.085188	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+Na+K"	61.952376
"777267"	778.139688	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+Na+K"	61.952376
"1669220"	280.030688	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Na+K"	61.952376
"257928"	1060.233768	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+ACN+Na"	64.015768
"1231001"	562.124768	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+ACN+Na"	64.015768
"1718432"	562.148293	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+NH4+HCOOH"	64.039293
"1180507"	189.025551333333	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+3Na"	68.967654
"1659159"	567.103688	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Na+HCOOH"	68.994688
"171489"	1073.13704	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+2K-H"	76.91904
"611658"	1571.24604	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+2K-H"	76.91904
"1099087"	575.02804	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2K-H"	76.91904
"155296"	537.072158	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"2M+2K"	77.926316
"590844"	786.126658	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"3M+2K"	77.926316
"1076451"	288.017658	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2K"	77.926316
"1105287"	577.042592	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2K+H"	78.933592
"1341672"	577.130207	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+DMSO+H"	79.021207
"1018829"	581.169376	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2ACN+H"	83.060376
"1535981"	582.163008	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+IsoProp+Na+H"	84.054008
"996962"	291.088326	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+2ACN+2H"	84.067652
"1595840"	583.077628	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+K+HCOOH"	84.968628
"1419315"	613.109138	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+H+CF3COOH"	115.000138
"1152883"	311.601601	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+3ACN+2H"	125.094202
"1703530"	630.135685	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+NH4+CF3COOH"	132.026685
"1640274"	635.09108	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+Na+CF3COOH"	136.98208
"1578110"	651.06502	"C03646"	"Bis-gamma-glutamylcystine;Oxidized gamma-glutamylcysteine;Bis-gamma-L-glutamyl-L-cystine;Oxidized gamma-L-glutamyl-L-cysteine"	"C16H26N4O10S2"	"498.109"	"M+K+CF3COOH"	152.95602
"813587"	142.0266	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M"	0
"988579"	123.00821	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"74632"	93.677124	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"508728"	141.019324	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"886530"	46.334924	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"731"	141.019324	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"441383"	212.032624	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"818095"	70.006024	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"81366"	283.045924	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"522021"	425.072524	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"908938"	141.019324	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"56386"	300.072471	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"498134"	442.099071	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"877030"	158.045871	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"43836"	305.027866	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"476837"	447.054466	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"853548"	163.001266	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1626361"	163.001266	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"97422"	159.007663	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"545736"	230.020963	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"939612"	87.994363	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"275987"	319.022602	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"670229"	461.049202	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1280447"	176.996002	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"26283"	321.001806	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"465115"	463.028406	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"840000"	178.975206	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1563853"	178.975206	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"951372"	187.024794	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"365213"	329.051401	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"353832"	343.067051	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1502665"	201.040451	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"966927"	209.006751	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"118022"	176.996002	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"558674"	248.009302	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1031847"	105.982702	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1252519"	220.945485	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1307678"	223.001472	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1321165"	244.983429	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"916233"	255.012186	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1292212"	290.988864	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1372928"	107.013924	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1389335"	125.0239	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"289020"	285.060476	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"682535"	427.087076	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1353048"	143.033876	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"130678"	143.033876	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"567319"	214.047176	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1038669"	72.020576	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"206572"	95.691676	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"650875"	143.033876	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1166815"	48.349476	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"438481"	302.087023	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"790000"	444.113623	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1687425"	160.060423	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"334609"	151.5471495	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"725937"	222.5604495	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1478298"	80.5338495	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"397343"	307.042418	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"755425"	449.069018	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1605709"	165.015818	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"319756"	154.024847	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"713271"	225.038147	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1470373"	83.011547	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1061432"	55.67679	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1267486"	175.060086	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"388250"	323.016358	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"747059"	465.042958	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1543640"	180.989758	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"306284"	162.011817	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"694333"	233.025117	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1447423"	90.998517	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"238211"	326.087026	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1214195"	184.060426	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1196988"	92.533851	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"191314"	329.02436	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"629659"	471.05096	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1133649"	186.99776	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"175482"	165.015818	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"613506"	236.029118	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1117460"	94.002518	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1399405"	63.004104	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1431644"	189.039346	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"222434"	170.04884	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1512684"	203.09139	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"412733"	173.002788	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"772270"	244.016088	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1670424"	101.989488	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"254027"	348.068968	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1231835"	206.042368	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1716353"	206.065893	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1183167"	70.331418	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1658176"	211.021288	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"170504"	360.97224	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"612376"	502.99884	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1098469"	218.94564	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"155164"	180.989758	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"595086"	252.003058	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1072188"	109.976458	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1105397"	220.960192	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1340689"	221.047807	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1019790"	225.086976	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1532811"	226.080608	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"995978"	113.047126	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1595950"	226.995228	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1420518"	257.026738	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1154086"	133.560401	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1703640"	274.053285	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1640384"	279.00868	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1578220"	294.98262	"C03647"	"cistrans-Hexadienedioate"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"816824"	290.079	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M"	0
"989816"	271.06061	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"75107"	192.378724	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"509931"	289.071724	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"889920"	95.685724	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"7401"	289.071724	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"446961"	434.111224	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"821482"	144.032224	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"82569"	579.150724	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"525411"	869.229724	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"909777"	289.071724	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"60869"	596.177271	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"501160"	886.256271	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"878478"	306.098271	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"46096"	601.132666	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"479134"	891.211666	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"856938"	311.053666	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1628658"	311.053666	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"102998"	307.060063	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"546935"	452.099563	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"940815"	162.020563	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"275733"	615.127402	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"672160"	905.206402	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1280922"	325.048402	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"27486"	617.106606	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"467047"	907.185606	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"843026"	327.027606	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1565420"	327.027606	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"952940"	335.077194	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"368968"	625.156201	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"355039"	639.171851	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1503868"	349.092851	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"968134"	357.059151	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"119226"	325.048402	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"559878"	470.087902	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1032687"	180.008902	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1254088"	368.997885	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1310705"	371.053872	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1330388"	393.035829	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"918168"	403.064586	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1293783"	439.041264	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1371945"	255.066324	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1389446"	273.0763	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"285486"	581.165276	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"677905"	871.244276	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1355711"	291.086276	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"130059"	291.086276	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"567065"	436.125776	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1038777"	146.046776	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"205952"	194.393276	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"650985"	291.086276	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1166925"	97.700276	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"439685"	598.191823	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"799952"	888.270823	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1693002"	308.112823	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"340188"	299.5995495	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"730421"	444.6390495	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1483150"	154.5600495	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"398549"	603.147218	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"758451"	893.226218	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1609830"	313.068218	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"320961"	302.077247	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"716663"	447.116747	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1474859"	157.037747	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1067012"	105.02759	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1270878"	323.112486	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"390546"	619.121158	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"751542"	909.200158	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1552503"	329.042158	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"313688"	310.064217	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"693713"	455.103717	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1450448"	165.024717	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"239052"	622.191826	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1213947"	332.112826	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1196373"	166.560051	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"191428"	625.12916	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"630260"	915.20816	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1131941"	335.05016	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"173405"	313.068218	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"613212"	458.107718	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1117932"	168.028718	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1400368"	112.354904	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1431756"	337.091746	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"221815"	318.10124	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1511336"	351.14379	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"408834"	321.055188	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"772745"	466.094688	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1667251"	176.015688	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"253044"	644.173768	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1230489"	354.094768	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1716826"	354.118293	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1184007"	119.682218	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1660473"	359.073688	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"169521"	657.07704	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"612446"	947.15604	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1098455"	366.99804	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"153692"	329.042158	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"594345"	474.081658	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1075578"	184.002658	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1104414"	369.012592	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1340799"	369.100207	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1014797"	373.139376	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1530735"	374.133008	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"994995"	187.073326	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1596060"	375.047628	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1420628"	405.079138	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1156382"	207.586601	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1708123"	422.105685	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1640494"	427.06108	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1578330"	443.03502	"C03648"	"cis-34-Leucopelargonidin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"814897"	131.0582	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M"	0
"978956"	112.03981	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"75583"	86.3648573333333	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"507854"	130.050924	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"882375"	42.6787906666667	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"951"	130.050924	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"440874"	195.580024	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"819401"	64.521824	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"81586"	261.109124	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"522241"	392.167324	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"907699"	130.050924	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"55512"	278.135671	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"498354"	409.193871	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"878711"	147.077471	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"41871"	283.091066	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"479244"	414.149266	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"859235"	152.032866	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1628770"	152.032866	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"105297"	148.039263	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"548507"	213.568363	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"940200"	82.510163	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"279487"	297.085802	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"672273"	428.144002	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1285041"	166.027602	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"25406"	299.065006	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"469710"	430.123206	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"843865"	168.006806	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1567354"	168.006806	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"953050"	176.056394	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"370171"	307.114601	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"356243"	321.130251	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1503980"	190.072051	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"968243"	198.038351	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"121521"	166.027602	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"559986"	231.556702	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1030973"	100.498502	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1249458"	209.977085	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1308991"	212.033072	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1326488"	234.015029	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"918276"	244.043786	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1294986"	280.020464	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1371329"	96.045524	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1388462"	114.0555	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"289242"	263.123676	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"679475"	394.181876	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1356186"	132.065476	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"131262"	132.065476	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"569000"	197.594576	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1037916"	66.536376	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"206065"	88.3794093333333	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"654380"	132.065476	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1176886"	44.6933426666667	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"439637"	280.150223	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"796780"	411.208423	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1693111"	149.092023	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"341391"	140.5787495	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"729439"	206.1078495	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1484352"	75.0496495	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"400846"	285.105618	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"760749"	416.163818	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1613221"	154.047418	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"327268"	143.056447	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"720784"	208.585547	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1476793"	77.527347	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1067122"	52.0206566666667	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1270988"	164.091686	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"392116"	301.079558	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"753966"	432.137758	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1551518"	170.021358	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"308694"	151.043417	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"695647"	216.572517	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1450558"	85.514317	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"238066"	304.150226	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1215149"	173.092026	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1197939"	87.049651	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"191536"	307.08756	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"630366"	438.14576	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1132414"	176.02936	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"173277"	154.047418	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"613688"	219.576518	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1116465"	88.518318	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1398893"	59.3479706666667	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1429923"	178.070946	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"220099"	159.08044	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1509252"	192.12299	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"409304"	162.034388	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"771391"	227.563488	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1666993"	96.505288	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"255336"	326.132168	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1226958"	195.073968	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1716578"	195.097493	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1182666"	66.6752846666667	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1654746"	200.052888	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"161975"	339.03544	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"612355"	470.09364	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1099174"	207.97724	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"153802"	170.021358	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"587896"	235.550458	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1071313"	104.492258	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1108898"	209.991792	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1340908"	210.079407	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1011625"	214.118576	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1533030"	215.112208	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"997292"	107.562926	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1593983"	216.026828	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1415147"	246.058338	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1149202"	128.076201	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1710420"	263.084885	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1646799"	268.04028	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1572973"	284.01422	"C03651"	"trans-4-Hydroxy-D-proline"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"815371"	162.0528	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M"	0
"981253"	143.03441	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"74964"	107.027924	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"503022"	161.045524	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"881392"	53.010324	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"1425"	161.045524	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"440618"	242.071924	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"818417"	80.019124	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"81696"	323.098324	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"522351"	485.151124	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"903433"	161.045524	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"52342"	340.124871	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"498100"	502.177671	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"876999"	178.072071	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"38701"	345.080266	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"479354"	507.133066	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"857158"	183.027466	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1627786"	183.027466	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"102127"	179.033863	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"548615"	260.060263	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"939577"	98.007463	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"279232"	359.075002	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"672746"	521.127802	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1282962"	197.022202	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"25516"	361.054206	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"466173"	523.107006	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"842881"	199.001406	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1567466"	199.001406	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"956441"	207.050994	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"373563"	369.103801	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"359639"	383.119451	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1504092"	221.066651	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"967261"	229.032951	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"121632"	197.022202	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"561193"	278.048602	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1033272"	115.995802	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1251756"	240.971685	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1309101"	243.027672	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1325140"	265.009629	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"918386"	275.038386	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1292910"	311.015064	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1374355"	127.040124	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1390759"	145.0501	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"287165"	325.112876	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"680679"	487.165676	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1355204"	163.060076	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"132101"	163.060076	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"568382"	244.086476	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1038274"	82.033676	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"204838"	109.042476	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"645369"	163.060076	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1168244"	55.024876	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"439423"	342.139423	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"794705"	504.192223	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1692130"	180.086623	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"339315"	171.5733495	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"730643"	252.5997495	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1485558"	90.5469495	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"400957"	347.094818	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"760857"	509.147618	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1611145"	185.042018	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"324462"	174.051047	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"721258"	255.077447	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1476661"	93.024647	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1065044"	62.35219	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1270005"	195.086286	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"390766"	363.068758	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"752859"	525.121558	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1551627"	201.015958	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"305524"	182.038017	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"699037"	263.064417	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1450668"	101.011617	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"240363"	366.139426	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1214165"	204.086626	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1199142"	102.546951	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"190552"	369.07676	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"630843"	531.12956	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1132525"	207.02396	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"174114"	185.042018	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"613798"	266.068418	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1116574"	104.015618	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1399249"	69.679504	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1430062"	209.065546	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"220165"	190.07504	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1508837"	223.11759	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"408686"	193.028988	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"770651"	274.055388	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1670019"	112.002588	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"253990"	388.121368	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1226336"	226.068568	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1716688"	226.092093	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1180589"	77.006818	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1659598"	231.047488	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"168648"	401.02464	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"610395"	563.07744	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1089441"	238.97184	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"147351"	201.015958	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"586911"	282.042358	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1071787"	119.989558	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1106821"	240.986392	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1343206"	241.074007	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1009548"	245.113176	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1529860"	246.106808	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"997403"	123.060226	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1590814"	247.021428	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1415375"	277.052938	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1148220"	143.573501	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1703970"	294.079485	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1640713"	299.03488	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1573083"	315.00882	"C03652"	"(2R3S)-23-Dimethylmalate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"815481"	260.0297	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"976259"	241.01131	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"73979"	172.345857333333	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"503701"	259.022424	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"882595"	85.6692906666667	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"1171"	259.022424	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"441824"	389.037274	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"817394"	129.007574	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"82899"	519.052124	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"522461"	779.081824	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"902450"	259.022424	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"52452"	536.078671	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"493107"	796.108371	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"873462"	276.048971	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"38811"	541.034066	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"476184"	801.063766	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"850708"	281.004366	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1626802"	281.004366	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"103330"	277.010763	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"547633"	407.025613	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"939324"	146.995913	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"275697"	555.028802	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"670305"	815.058502	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1280520"	294.999102	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"26720"	557.008006	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"464096"	817.037706	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"843356"	296.978306	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1565387"	296.978306	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"953999"	305.027894	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"371486"	565.057601	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"356829"	579.073251	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1505657"	319.043551	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"968463"	327.009851	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"121740"	294.999102	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"560206"	425.013952	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1034111"	164.984252	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1247492"	338.948585	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1309940"	341.004572	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1323063"	362.986529	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"913026"	373.015286	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1297394"	408.991964	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1374465"	225.017024	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1391962"	243.027	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"287275"	521.066676	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"682976"	781.096376	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1356043"	261.036976	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"131118"	261.036976	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"569585"	391.051826	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040571"	131.022126	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"206040"	174.360409333333	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"645598"	261.036976	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1170540"	87.6838426666667	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"439698"	538.093223	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"799190"	798.122923	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1692239"	278.063523	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"339425"	269.5502495	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"735126"	399.5650995	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1488947"	139.5353995	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"403253"	543.048618	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"763155"	803.078318	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1610161"	283.018918	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"324572"	272.027947	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"719910"	402.042797	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1475679"	142.013097	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1067466"	95.0111566666667	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1271698"	293.063186	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"389783"	559.022558	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"751875"	819.052258	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1551736"	298.992858	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"305634"	280.014917	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"699147"	410.029767	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1450779"	150.000067	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"240473"	562.093226	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1214274"	302.063526	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1197065"	151.535401	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"190055"	565.03056	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"630226"	825.06026	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1132151"	305.00086	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"174350"	283.018918	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"613220"	413.033768	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1119360"	153.004068	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1400696"	102.338470666667	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1429975"	307.042446	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"222511"	288.05194	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1508515"	321.09449	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"408635"	291.005888	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"770884"	421.020738	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1667579"	160.991038	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"253372"	584.075168	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1225880"	324.045468	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1716069"	324.068993	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1182158"	109.665784666667	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1659708"	329.024388	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"169851"	596.97844	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"608318"	857.00814	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1088457"	336.94874	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"149648"	298.992858	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"584834"	429.007708	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1071534"	168.978008	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1104744"	338.963292	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1344410"	339.050907	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1010751"	343.090076	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1527783"	344.083708	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"992046"	172.048676	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1589831"	344.998328	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1416215"	375.029838	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1147966"	192.561951	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1704080"	392.056385	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1640823"	397.01178	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1573193"	412.98572	"C03654"	"(3S4R)-Ketose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"815591"	145.0739	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M"	0
"979285"	126.05551	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H2O-H"	-19.01839
"76276"	95.7086573333333	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-3H"	-3.021828
"504904"	144.066624	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-3H"	-3.021828
"882705"	47.3506906666667	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-3H"	-3.021828
"2375"	144.066624	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H"	-2.014552
"444120"	216.603574	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H"	-2.014552
"818641"	71.529674	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H"	-2.014552
"84102"	289.140524	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-H"	-1.007276
"522567"	434.214424	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-H"	-1.007276
"898185"	144.066624	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H"	-1.007276
"52562"	306.167071	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+NH4"	16.019271
"493217"	451.240971	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+NH4"	16.019271
"867739"	161.093171	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+NH4"	16.019271
"31871"	311.122466	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+Na"	20.974666
"472038"	456.196366	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+Na"	20.974666
"848702"	166.048566	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+Na"	20.974666
"1618642"	166.048566	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na-2H"	20.974666
"95053"	162.054963	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-H+Cl"	33.962126
"541906"	234.591913	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-H+Cl"	33.962126
"939069"	89.518013	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+Cl"	33.962126
"276170"	325.117202	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Cl"	34.969402
"669687"	470.191102	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Cl"	34.969402
"1277713"	180.043302	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl"	34.969402
"24643"	327.096406	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+K"	36.948606
"460926"	472.170306	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+K"	36.948606
"840914"	182.022506	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+K"	36.948606
"1566589"	182.022506	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K-2H"	36.948606
"954108"	190.072094	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+HCOOH"	44.998194
"373781"	335.146001	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+HCOOH-H"	44.998201
"358393"	349.161651	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Hac-H"	59.013851
"1505767"	204.087751	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Hac-H"	59.013851
"971122"	212.054051	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+NaCOOH"	66.980151
"118570"	180.043302	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Cl"	69.938804
"559223"	252.580252	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Cl"	69.938804
"1033492"	107.506352	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Cl"	69.938804
"1245779"	223.992785	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Br"	78.918885
"1310414"	226.048772	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+HCOOH"	80.974872
"1322076"	248.030729	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+NaCOOH"	102.956829
"913864"	258.059486	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+CF3COOH"	112.985586
"1293128"	294.036164	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+CF3COOH"	148.962264
"1377854"	110.061224	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H-2H2O"	-35.012676
"1389885"	128.0712	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H-H2O"	-17.0027
"287385"	291.155076	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H"	1.007276
"679806"	436.228976	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H"	1.007276
"1355059"	146.081176	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H"	1.007276
"128675"	146.081176	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2H"	2.014552
"567872"	218.618126	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2H"	2.014552
"1038000"	73.544226	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2H"	2.014552
"205298"	97.7232093333333	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+3H"	3.021828
"644857"	146.081176	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+3H"	3.021828
"1167368"	49.3652426666667	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3H"	3.021828
"437938"	308.181623	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+NH4"	18.033823
"800764"	453.255523	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+NH4"	18.033823
"1696448"	163.107723	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4"	18.033823
"341717"	154.5944495	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+NH4"	19.041099
"734143"	227.1313995	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+NH4"	19.041099
"1487965"	82.0574995	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+NH4"	19.041099
"405914"	313.137018	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Na"	22.989218
"764359"	458.210918	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Na"	22.989218
"1610271"	168.063118	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na"	22.989218
"326505"	157.072147	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+Na"	23.996494
"721723"	229.609097	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+Na"	23.996494
"1474208"	84.535197	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+Na"	23.996494
"1067210"	56.6925566666667	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2H+Na"	25.00377
"1270226"	178.107386	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+CH3OH+H"	33.033486
"392084"	329.110958	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+K"	38.963158
"752714"	474.184858	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+K"	38.963158
"1551847"	184.037058	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K"	38.963158
"309024"	165.059117	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+K"	39.970434
"700351"	237.596067	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+K"	39.970434
"1454170"	92.522167	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+K"	39.970434
"244956"	332.181626	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+H"	42.033826
"1214385"	187.107726	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+H"	42.033826
"1196082"	94.057501	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+2H"	43.041102
"191137"	335.11896	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Na-H"	44.97116
"629608"	480.19286	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Na-H"	44.97116
"1131896"	190.04506	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Na-H"	44.97116
"173162"	168.063118	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Na"	45.978436
"613412"	240.600068	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Na"	45.978436
"1120564"	95.526168	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Na"	45.978436
"1400806"	64.0198706666667	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+2Na"	46.985712
"1432924"	192.086646	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+HCOOH"	47.012746
"220556"	173.09614	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+3H2O+2H"	56.04448
"1509588"	206.13869	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+H"	61.06479
"408718"	176.050088	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Na+K"	61.952376
"770388"	248.587038	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Na+K"	61.952376
"1669148"	103.513138	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+K"	61.952376
"253483"	354.163568	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+Na"	64.015768
"1226921"	209.089668	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+Na"	64.015768
"1719095"	209.113193	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4+HCOOH"	64.039293
"1183361"	71.3471846666667	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3Na"	68.967654
"1660909"	214.068588	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+HCOOH"	68.994688
"169961"	367.06684	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2K-H"	76.91904
"607335"	512.14074	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2K-H"	76.91904
"1098407"	221.99294	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K-H"	76.91904
"153038"	184.037058	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2K"	77.926316
"586038"	256.574008	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2K"	77.926316
"1071644"	111.500108	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K"	77.926316
"1105948"	224.007492	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K+H"	78.933592
"1342333"	224.095107	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+DMSO+H"	79.021207
"1010861"	228.134276	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+H"	83.060376
"1528986"	229.127908	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+Na+H"	84.054008
"994343"	114.570776	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+2H"	84.067652
"1589941"	230.042528	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K+HCOOH"	84.968628
"1416691"	260.074038	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+CF3COOH"	115.000138
"1148076"	135.084051	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3ACN+2H"	125.094202
"1704190"	277.100585	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4+CF3COOH"	132.026685
"1640933"	282.05598	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+CF3COOH"	136.98208
"1575490"	298.02992	"C03656"	"(S)-5-Amino-3-oxohexanoic acid;(S)-5-Amino-3-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K+CF3COOH"	152.95602
"809140"	204.0423	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M"	0
"977205"	185.02391	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-H2O-H"	-19.01839
"68728"	135.020924	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M-3H"	-3.021828
"513759"	203.035024	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M-3H"	-3.021828
"889372"	67.006824	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-3H"	-3.021828
"2115"	203.035024	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M-2H"	-2.014552
"444227"	305.056174	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M-2H"	-2.014552
"825309"	101.013874	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-2H"	-2.014552
"85303"	407.077324	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M-H"	-1.007276
"525959"	611.119624	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M-H"	-1.007276
"904854"	203.035024	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-H"	-1.007276
"55948"	424.103871	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M-2H+NH4"	16.019271
"500249"	628.146171	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M-2H+NH4"	16.019271
"876598"	220.061571	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-2H+NH4"	16.019271
"40119"	429.059266	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M-2H+Na"	20.974666
"481868"	633.101566	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M-2H+Na"	20.974666
"863801"	225.016966	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-2H+Na"	20.974666
"1624828"	225.016966	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Na-2H"	20.974666
"101357"	221.023363	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M-H+Cl"	33.962126
"539825"	323.044513	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M-H+Cl"	33.962126
"933340"	119.002213	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-H+Cl"	33.962126
"276272"	443.054002	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+Cl"	34.969402
"669787"	647.096302	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+Cl"	34.969402
"1278911"	239.011702	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Cl"	34.969402
"20374"	445.033206	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M-2H+K"	36.948606
"458838"	649.075506	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M-2H+K"	36.948606
"836644"	240.990906	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-2H+K"	36.948606
"1557210"	240.990906	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+K-2H"	36.948606
"944727"	249.040494	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-H+HCOOH"	44.998194
"365863"	453.082801	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+HCOOH-H"	44.998201
"350842"	467.098451	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+Hac-H"	59.013851
"1500040"	263.056151	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Hac-H"	59.013851
"963570"	271.022451	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-H+NaCOOH"	66.980151
"116488"	239.011702	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+2Cl"	69.938804
"558235"	341.032852	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+2Cl"	69.938804
"1028127"	136.990552	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2Cl"	69.938804
"1245518"	282.961185	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Br"	78.918885
"1305782"	285.017172	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Cl+HCOOH"	80.974872
"1323279"	306.999129	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Cl+NaCOOH"	102.956829
"912264"	317.027886	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M-H+CF3COOH"	112.985586
"1289175"	353.004564	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Cl+CF3COOH"	148.962264
"1371767"	169.029624	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H-2H2O"	-35.012676
"1383547"	187.0396	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H-H2O"	-17.0027
"283842"	409.091876	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+H"	1.007276
"676266"	613.134176	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+H"	1.007276
"1351556"	205.049576	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H"	1.007276
"126222"	205.049576	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+2H"	2.014552
"566275"	307.070726	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+2H"	2.014552
"1039324"	103.028426	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2H"	2.014552
"205165"	137.035476	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+3H"	3.021828
"646787"	205.049576	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+3H"	3.021828
"1164911"	69.021376	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+3H"	3.021828
"430748"	426.118423	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+NH4"	18.033823
"796123"	630.160723	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+NH4"	18.033823
"1693548"	222.076123	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+NH4"	18.033823
"343653"	213.5628495	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+H+NH4"	19.041099
"735345"	315.5839995	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+H+NH4"	19.041099
"1490989"	111.5416995	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H+NH4"	19.041099
"406751"	431.073818	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+Na"	22.989218
"768840"	635.116118	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+Na"	22.989218
"1615849"	227.031518	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Na"	22.989218
"326977"	216.040547	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+H+Na"	23.996494
"720128"	318.061697	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+H+Na"	23.996494
"1475043"	114.019397	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H+Na"	23.996494
"1063190"	76.34869	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2H+Na"	25.00377
"1269243"	237.075786	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+CH3OH+H"	33.033486
"385629"	447.047758	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+K"	38.963158
"745532"	651.090058	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+K"	38.963158
"1547583"	243.005458	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+K"	38.963158
"308040"	224.027517	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+H+K"	39.970434
"706736"	326.048667	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+H+K"	39.970434
"1453186"	122.006367	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H+K"	39.970434
"243971"	450.118426	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+ACN+H"	42.033826
"1217774"	246.076126	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+ACN+H"	42.033826
"1206031"	123.541701	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+ACN+2H"	43.041102
"197808"	453.05576	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+2Na-H"	44.97116
"635181"	657.09806	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+2Na-H"	44.97116
"1136501"	249.01346	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2Na-H"	44.97116
"177606"	227.031518	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+2Na"	45.978436
"616072"	329.052668	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+2Na"	45.978436
"1122858"	125.010368	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2Na"	45.978436
"1406383"	83.676004	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H+2Na"	46.985712
"1438498"	251.055046	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H+HCOOH"	47.012746
"224184"	232.06454	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+3H2O+2H"	56.04448
"1512974"	265.10709	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+IsoProp+H"	61.06479
"412296"	235.018488	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+Na+K"	61.952376
"773656"	337.039638	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+Na+K"	61.952376
"1666705"	132.997338	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Na+K"	61.952376
"254320"	472.100368	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+ACN+Na"	64.015768
"1231403"	268.058068	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+ACN+Na"	64.015768
"1715192"	268.081593	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+NH4+HCOOH"	64.039293
"1184564"	91.003318	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+3Na"	68.967654
"1653364"	273.036988	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Na+HCOOH"	68.994688
"164600"	485.00364	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+2K-H"	76.91904
"607443"	689.04594	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+2K-H"	76.91904
"1090862"	280.96134	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2K-H"	76.91904
"148772"	243.005458	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"2M+2K"	77.926316
"589427"	345.026608	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"3M+2K"	77.926316
"1077216"	140.984308	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2K"	77.926316
"1104961"	282.975892	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2K+H"	78.933592
"1345721"	283.063507	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+DMSO+H"	79.021207
"1017530"	287.102676	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2ACN+H"	83.060376
"1537973"	288.096308	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+IsoProp+Na+H"	84.054008
"1005147"	144.054976	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+2ACN+2H"	84.067652
"1598794"	289.010928	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+K+HCOOH"	84.968628
"1418989"	319.042438	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+H+CF3COOH"	115.000138
"1151466"	164.568251	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+3ACN+2H"	125.094202
"1703205"	336.068985	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+NH4+CF3COOH"	132.026685
"1646146"	341.02438	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+Na+CF3COOH"	136.98208
"1572320"	356.99832	"C03657"	"14-Dihydroxy-2-naphthoate;14-Dihydroxy-2-naphthoic acid"	"C11H8O4"	"204.0423"	"M+K+CF3COOH"	152.95602
"812532"	194.079	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M"	0
"979503"	175.06061	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"72122"	128.378724	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"511683"	193.071724	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"886204"	63.685724	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"5871"	193.071724	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"450901"	290.111224	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"826513"	96.032224	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"85413"	387.150724	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"526068"	581.229724	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"907150"	193.071724	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"59339"	404.177271	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"499995"	598.256271	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"866864"	210.098271	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"38043"	409.132666	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"479792"	603.211666	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"857594"	215.053666	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1631500"	215.053666	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"100374"	211.060063	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"539935"	308.099563	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"933450"	114.020563	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"274195"	423.127402	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"663339"	617.206402	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1277928"	229.048402	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"17204"	425.106606	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"457492"	619.185606	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"834927"	231.027606	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1559515"	231.027606	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"946301"	239.077194	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"367435"	433.156201	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"351317"	447.171851	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1500150"	253.092851	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"967694"	261.059151	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"120975"	229.048402	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"557618"	326.087902	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1028604"	132.008902	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1250006"	272.997885	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1305162"	275.053872	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1320350"	297.035829	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"911565"	307.064586	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1291528"	343.041264	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1373334"	159.066324	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1387552"	177.0763	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"283709"	389.165276	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"676617"	583.244276	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1351579"	195.086276	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"126458"	195.086276	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"566992"	292.125776	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1037488"	98.046776	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"205761"	130.393276	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"644830"	195.086276	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1163077"	65.700276	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"429767"	406.191823	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"800369"	600.270823	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1684911"	212.112823	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"344492"	203.5995495	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"737887"	300.6390495	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1492196"	106.5600495	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"408081"	411.147218	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"767856"	605.226218	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1613769"	217.068218	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"323807"	206.077247	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"718416"	303.116747	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1474424"	109.037747	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1064392"	73.02759	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1267162"	227.112486	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"386834"	427.121158	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"751110"	621.200158	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1550975"	233.042158	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"309244"	214.064217	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"697288"	311.103717	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1451106"	117.024717	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"242990"	430.191826	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1215697"	236.112826	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1198487"	118.560051	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"194639"	433.12916	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"635294"	627.20816	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1137705"	239.05016	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"175530"	217.068218	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"618369"	314.107718	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1122969"	120.028718	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1406493"	80.354904	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1438608"	241.091746	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"226118"	222.10124	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1510898"	255.14379	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"412042"	225.055188	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"772672"	322.094688	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1666816"	128.015688	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"255524"	452.173768	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1228232"	258.094768	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1718227"	258.118293	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1184675"	87.682218	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1661129"	263.073688	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"165805"	465.07704	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"606460"	659.15604	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1096440"	270.99804	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"151070"	233.042158	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"590632"	330.081658	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1077329"	136.002658	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1108353"	273.012592	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1345831"	273.100207	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1018733"	277.139376	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1537961"	278.133008	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"1004889"	139.073326	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1597811"	279.047628	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1426752"	309.079138	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1154854"	159.586601	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1708780"	326.105685	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1647712"	331.06108	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1575712"	347.03502	"C03659"	"D-Bornesitol;(-)-Bornesitol;1-O-Methyl-myo-inositol;1D-1-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"811549"	194.079	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M"	0
"978154"	175.06061	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"65667"	128.378724	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"517261"	193.071724	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"887408"	63.685724	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"11451"	193.071724	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"455510"	290.111224	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"827719"	96.032224	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"89898"	387.150724	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"531646"	581.229724	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"907260"	193.071724	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"61635"	404.177271	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"501926"	598.256271	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"879204"	210.098271	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"43620"	409.132666	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"480996"	603.211666	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"859892"	215.053666	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1631610"	215.053666	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"101577"	211.060063	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"538951"	308.099563	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"933560"	114.020563	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"268348"	423.127402	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"662717"	617.206402	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1278038"	229.048402	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"17071"	425.106606	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"458335"	619.185606	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"839051"	231.027606	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1560353"	231.027606	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"947506"	239.077194	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"366452"	433.156201	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"351429"	447.171851	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1499530"	253.092851	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"967804"	261.059151	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"121085"	229.048402	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"559551"	326.087902	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1031631"	132.008902	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1251209"	272.997885	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1305636"	275.053872	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1319905"	297.035829	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"911414"	307.064586	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1295649"	343.041264	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1373080"	159.066324	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1389120"	177.0763	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"285161"	389.165276	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"676850"	583.244276	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1351735"	195.086276	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"126203"	195.086276	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"566132"	292.125776	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1038086"	98.046776	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"205020"	130.393276	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"646643"	195.086276	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1163313"	65.700276	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"429877"	406.191823	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"797437"	600.270823	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1686114"	212.112823	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"345087"	203.5995495	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"738081"	300.6390495	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1492395"	106.5600495	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"408189"	411.147218	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"769507"	605.226218	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1616065"	217.068218	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"328291"	206.077247	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"719620"	303.116747	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1474534"	109.037747	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1064499"	73.02759	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1269459"	227.112486	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"390225"	427.121158	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"752317"	621.200158	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1552178"	233.042158	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"311542"	214.064217	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"698494"	311.103717	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1450126"	117.024717	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"242007"	430.191826	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1216902"	236.112826	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1199691"	118.560051	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"194749"	433.12916	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"635404"	627.20816	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1137815"	239.05016	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"174788"	217.068218	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"618478"	314.107718	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1119799"	120.028718	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1405510"	80.354904	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1437625"	241.091746	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"228415"	222.10124	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1513194"	255.14379	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"411423"	225.055188	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"771688"	322.094688	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1666925"	128.015688	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"252353"	452.173768	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1227248"	258.094768	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1723804"	258.118293	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1184785"	87.682218	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1659052"	263.073688	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"165915"	465.07704	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"605477"	659.15604	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1096551"	270.99804	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"147900"	233.042158	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"587461"	330.081658	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1077440"	136.002658	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1110650"	273.012592	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1342660"	273.100207	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1020667"	277.139376	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1535877"	278.133008	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"1002324"	139.073326	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1597921"	279.047628	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1423582"	309.079138	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1158244"	159.586601	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1708890"	326.105685	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1647822"	331.06108	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1575822"	347.03502	"C03660"	"L-Bornesitol;()-Bornesitol;3-O-Methyl-myo-inositol;1D-3-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"809471"	504.169	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M"	0
"976077"	485.15061	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"63588"	335.105390666667	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"509714"	503.161724	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"888611"	167.049057333333	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"6093"	503.161724	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"445654"	755.246224	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"821631"	251.077224	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"84904"	1007.330724	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"523008"	1511.499724	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"907370"	503.161724	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"60652"	1024.357271	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"499119"	1528.526271	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"878015"	520.188271	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"34983"	1029.312666	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"482197"	1533.481666	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"850522"	525.143666	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1621879"	525.143666	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"96948"	521.150063	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"535779"	773.234563	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"931483"	269.065563	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"268217"	1043.307402	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"662827"	1547.476402	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1275229"	539.138402	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"16697"	1045.286606	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"457716"	1549.455606	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"838432"	541.117606	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1560463"	541.117606	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"947616"	549.167194	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"364373"	1053.336201	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"350443"	1067.351851	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1498183"	563.182851	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"966091"	571.149151	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"117185"	539.138402	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"557838"	791.222902	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1030647"	287.053902	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1251319"	583.087885	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1306840"	585.143872	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1320235"	607.125829	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"911533"	617.154586	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1293572"	653.131264	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1370636"	469.156324	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1387043"	487.1663	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"283929"	1009.345276	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"676105"	1513.514276	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1351721"	505.176276	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H"	1.007276
"126315"	505.176276	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"565876"	757.260776	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1038306"	253.091776	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"207558"	337.119942666667	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"645659"	505.176276	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1164153"	169.063609333333	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"428894"	1026.371823	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"797547"	1530.540823	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1687317"	522.202823	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"344348"	513.6895495	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"738110"	765.7740495	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1492732"	261.6050495	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"407689"	1031.327218	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"768927"	1535.496218	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1615080"	527.158218	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"327304"	516.167247	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"715355"	768.251747	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1474643"	264.082747	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1063516"	176.390923333333	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1270662"	537.202486	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"390334"	1047.301158	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"749875"	1551.470158	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1552285"	543.132158	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K"	38.963158
"309463"	524.154217	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"699697"	776.238717	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1449144"	272.069717	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"241024"	1050.371826	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1213732"	546.202826	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1196522"	273.605051	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"191579"	1053.30916	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"630411"	1557.47816	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1135739"	549.14016	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"173319"	527.158218	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"617495"	779.242718	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1125376"	275.073718	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1404527"	183.718237333333	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1435547"	551.181746	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"227432"	532.19124	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1514400"	565.23379	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"410073"	535.145188	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"772526"	787.229688	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1667760"	283.060688	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"252822"	1072.353768	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1228084"	568.184768	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1718447"	568.208293	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1183801"	191.045551333333	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1655881"	573.163688	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"163837"	1085.25704	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"606680"	1589.42604	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1096661"	581.08804	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"148010"	543.132158	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"585749"	795.216658	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1074269"	291.047658	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1108573"	583.102592	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1342770"	583.190207	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1017860"	587.229376	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1534893"	588.223008	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"1004500"	294.118326	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1596937"	589.137628	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1424785"	619.169138	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1156167"	314.631601	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1706813"	636.195685	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1647932"	641.15108	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1575932"	657.12502	"C03661"	"1F-beta-D-Fructosylsucrose;beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"809581"	302.0427	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M"	0
"976553"	283.02431	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"64791"	200.354524	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"510918"	301.035424	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"888721"	99.673624	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"5110"	301.035424	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"445764"	452.056774	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"820648"	150.014074	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"82463"	603.078124	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"523118"	905.120824	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"906387"	301.035424	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"57483"	620.104671	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"498865"	922.147371	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"876912"	318.061971	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"31539"	625.060066	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"472466"	927.102766	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"848717"	323.017366	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1619801"	323.017366	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"95236"	319.023763	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"535523"	470.045113	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"928309"	168.002413	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"268084"	639.054802	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"662573"	941.097502	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1273474"	337.012102	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"18265"	641.034006	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"457826"	943.076706	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"837448"	338.991306	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1561302"	338.991306	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"947726"	347.040894	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"364119"	649.083601	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"349824"	663.099251	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1498657"	361.056551	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"963284"	369.022851	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"118388"	337.012102	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"557948"	488.033452	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1029299"	185.990752	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1248877"	380.961585	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1305127"	383.017572	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1320149"	404.999529	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"911771"	415.028286	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1292953"	451.004964	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1370384"	267.030024	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1387517"	285.04	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"283797"	605.092676	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"676130"	907.135376	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1351910"	303.049976	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"126302"	303.049976	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"566468"	454.071326	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1038419"	152.028626	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"205478"	202.369076	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"645767"	303.049976	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1163414"	101.688176	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"431190"	622.119223	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"796564"	924.161923	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1686334"	320.076523	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"344459"	311.5632495	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"738357"	462.5845995	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1491925"	160.5418995	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"407799"	627.074618	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"769406"	929.117318	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1616284"	325.031918	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"327414"	314.040947	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"715463"	465.062297	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1468190"	163.019597	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1060344"	109.01549	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1267492"	335.076186	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"389348"	643.048558	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"748160"	945.091258	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1552394"	341.005858	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"310664"	322.027917	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"698714"	473.049267	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1449255"	171.006567	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"237854"	646.119226	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1213843"	344.076526	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1195903"	172.541901	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"190961"	649.05656	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"632344"	951.09926	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1135849"	347.01386	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"174766"	325.031918	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"615419"	476.053268	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1124393"	174.010568	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1409740"	116.342804	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1434565"	349.055446	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"225355"	330.06494	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1509770"	363.10749	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"409818"	333.018888	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"775553"	484.040238	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1667509"	181.997538	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"252932"	668.101168	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1227829"	366.058468	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1717464"	366.081993	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1185005"	123.670118	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1654897"	371.037388	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"168320"	681.00444	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"608975"	983.04714	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1094583"	378.96174	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"148120"	341.005858	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"588775"	492.027208	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1077659"	189.984508	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1109776"	380.976292	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1341787"	381.063907	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1016877"	385.103076	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1539015"	386.096708	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"1004612"	193.055176	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1597047"	387.011328	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1424895"	417.042838	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1156277"	213.568451	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1706923"	434.069385	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1646949"	439.02478	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1576042"	454.99872	"C03662"	"2-Hydroxypseudobaptigenin"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"809691"	152.0473	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M"	0
"977755"	133.02891	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"64537"	100.357590666667	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"505555"	151.040024	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"888831"	49.6751573333333	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"6312"	151.040024	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"445872"	227.063674	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"820758"	75.016374	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"82573"	303.087324	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"523228"	455.134624	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"904309"	151.040024	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"53217"	320.113871	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"499339"	472.161171	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"874953"	168.066571	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"36297"	325.069266	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"476950"	477.116566	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"849528"	173.021966	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1623192"	173.021966	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"98625"	169.028363	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"538185"	245.052013	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"928541"	93.004713	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"270259"	339.064002	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"662683"	491.111302	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1274476"	187.016702	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"20197"	341.043206	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"460122"	493.090506	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"836465"	188.995906	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1562505"	188.995906	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"948200"	197.045494	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"363863"	349.092801	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"350299"	363.108451	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1499131"	211.061151	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"964487"	219.027451	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"113029"	187.016702	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"556964"	263.040352	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1026128"	110.993052	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1246071"	230.966185	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1304872"	233.022172	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1320665"	255.004129	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"911722"	265.032886	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1293427"	301.009564	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1372681"	117.034624	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1388357"	135.0446	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"287678"	305.101876	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"676934"	457.149176	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1352064"	153.054576	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"125842"	153.054576	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"565821"	229.078226	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1037193"	77.030926	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"205342"	102.372142666667	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"645510"	153.054576	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1163646"	51.6897093333333	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"433487"	322.128423	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"799954"	474.175723	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1689723"	170.081123	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"343471"	161.5678495	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"738408"	237.5914995	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1492234"	85.5441995	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"408435"	327.083818	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"769806"	479.131118	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1618347"	175.036518	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"329353"	164.045547	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"722056"	240.069197	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1473766"	88.021897	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1063733"	59.0170233333333	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1270882"	185.080786	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"390552"	343.057758	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"753329"	495.105058	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1552504"	191.010458	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"311867"	172.032517	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"702103"	248.056167	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1451553"	96.008867	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"242338"	346.128426	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1218326"	194.081126	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1198929"	97.544201	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"193986"	349.06576	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"633547"	501.11306	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1138145"	197.01846	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"174877"	175.036518	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"615529"	251.060168	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1127419"	99.012868	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1410214"	66.3443373333333	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1436862"	199.060046	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"223643"	180.06954	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1509880"	213.11209	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"408836"	183.023488	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"772385"	259.047138	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1668713"	106.999838	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"252316"	368.110368	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1226481"	216.063068	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1718667"	216.086593	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1185115"	73.6716513333333	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1655007"	221.041988	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"165149"	381.01364	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"607992"	533.06094	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1094692"	228.96634	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"155519"	191.010458	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"591071"	267.034108	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1082022"	114.986808	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1110979"	230.980892	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1346271"	231.068507	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1020145"	235.107676	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1538032"	236.101308	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1004846"	118.057476	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1600438"	237.015928	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1426098"	267.047438	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1159666"	138.570751	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1703753"	284.073985	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1644872"	289.02938	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1576152"	305.00332	"C03663"	"24-Dihydroxyacetophenone;24-Dihydroxyacetophenone;Resacetophenone"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"810894"	219.9694	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M"	0
"976772"	200.95101	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-H2O-H"	-19.01839
"66106"	145.638990666667	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M-3H"	-3.021828
"502873"	218.962124	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M-3H"	-3.021828
"890034"	72.3158573333333	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-3H"	-3.021828
"7515"	218.962124	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M-2H"	-2.014552
"445982"	328.946824	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M-2H"	-2.014552
"820504"	108.977424	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-2H"	-2.014552
"82683"	438.931524	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M-H"	-1.007276
"523338"	658.900924	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M-H"	-1.007276
"903326"	218.962124	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-H"	-1.007276
"53327"	455.958071	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M-2H+NH4"	16.019271
"500178"	675.927471	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M-2H+NH4"	16.019271
"875063"	235.988671	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-2H+NH4"	16.019271
"39686"	460.913466	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M-2H+Na"	20.974666
"480340"	680.882866	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M-2H+Na"	20.974666
"848784"	240.944066	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-2H+Na"	20.974666
"1618804"	240.944066	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Na-2H"	20.974666
"94603"	236.950463	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M-H+Cl"	33.962126
"535135"	346.935163	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M-H+Cl"	33.962126
"927676"	126.965763	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-H+Cl"	33.962126
"270369"	474.908202	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+Cl"	34.969402
"662793"	694.877602	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+Cl"	34.969402
"1273857"	254.938802	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Cl"	34.969402
"17995"	476.887406	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M-2H+K"	36.948606
"462419"	696.856806	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M-2H+K"	36.948606
"838761"	256.918006	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-2H+K"	36.948606
"1560063"	256.918006	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+K-2H"	36.948606
"947944"	264.967594	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-H+HCOOH"	44.998194
"365795"	484.937001	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+HCOOH-H"	44.998201
"350773"	498.952651	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+Hac-H"	59.013851
"1497053"	278.983251	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Hac-H"	59.013851
"964960"	286.949551	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-H+NaCOOH"	66.980151
"116419"	254.938802	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+2Cl"	69.938804
"552334"	364.923502	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+2Cl"	69.938804
"1025873"	144.954102	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2Cl"	69.938804
"1246181"	298.888285	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Br"	78.918885
"1304614"	300.944272	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Cl+HCOOH"	80.974872
"1320654"	322.926229	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Cl+NaCOOH"	102.956829
"912805"	332.954986	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M-H+CF3COOH"	112.985586
"1293902"	368.931664	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Cl+CF3COOH"	148.962264
"1374249"	184.956724	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H-2H2O"	-35.012676
"1389560"	202.9667	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H-H2O"	-17.0027
"288153"	440.946076	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+H"	1.007276
"675716"	660.915476	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+H"	1.007276
"1351368"	220.976676	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H"	1.007276
"125892"	220.976676	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+2H"	2.014552
"565710"	330.961376	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+2H"	2.014552
"1037182"	110.991976	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2H"	2.014552
"205331"	147.653542666667	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+3H"	3.021828
"645499"	220.976676	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+3H"	3.021828
"1162904"	74.3304093333333	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+3H"	3.021828
"432501"	457.972623	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+NH4"	18.033823
"800064"	677.942023	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+NH4"	18.033823
"1689833"	238.003223	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+NH4"	18.033823
"343582"	229.4899495	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+H+NH4"	19.041099
"738248"	339.4746495	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+H+NH4"	19.041099
"1492707"	119.5052495	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H+NH4"	19.041099
"408348"	462.928018	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+Na"	22.989218
"769754"	682.897418	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+Na"	22.989218
"1617598"	242.958618	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Na"	22.989218
"329870"	231.967647	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+H+Na"	23.996494
"722246"	341.952347	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+H+Na"	23.996494
"1476062"	121.982947	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H+Na"	23.996494
"1064934"	81.6577233333333	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2H+Na"	25.00377
"1267707"	253.002886	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+CH3OH+H"	33.033486
"390662"	478.901958	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+K"	38.963158
"752385"	698.871358	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+K"	38.963158
"1552614"	258.932558	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+K"	38.963158
"311977"	239.954617	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+H+K"	39.970434
"701120"	349.939317	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+H+K"	39.970434
"1451661"	129.969917	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H+K"	39.970434
"243541"	481.972626	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+ACN+H"	42.033826
"1218436"	262.003226	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+ACN+H"	42.033826
"1197946"	131.505251	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+ACN+2H"	43.041102
"193002"	484.90996	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+2Na-H"	44.97116
"633657"	704.87936	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+2Na-H"	44.97116
"1137162"	264.94056	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2Na-H"	44.97116
"176080"	242.958618	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+2Na"	45.978436
"616732"	352.943318	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+2Na"	45.978436
"1123520"	132.973918	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2Na"	45.978436
"1408137"	88.9850373333333	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H+2Na"	46.985712
"1434785"	266.982146	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H+HCOOH"	47.012746
"223389"	247.99164	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+3H2O+2H"	56.04448
"1508652"	281.03419	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+IsoProp+H"	61.06479
"408665"	250.945588	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+Na+K"	61.952376
"772858"	360.930288	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+Na+K"	61.952376
"1668825"	140.960888	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Na+K"	61.952376
"251494"	503.954568	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+ACN+Na"	64.015768
"1226105"	283.985168	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+ACN+Na"	64.015768
"1720963"	284.008693	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+NH4+HCOOH"	64.039293
"1185225"	96.3123513333333	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+3Na"	68.967654
"1656210"	288.964088	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Na+HCOOH"	68.994688
"166352"	516.85784	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+2K-H"	76.91904
"608100"	736.82724	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+2K-H"	76.91904
"1092614"	296.88844	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2K-H"	76.91904
"153805"	258.932558	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"2M+2K"	77.926316
"594461"	368.917258	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"3M+2K"	77.926316
"1082253"	148.947858	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2K"	77.926316
"1108902"	298.902992	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2K+H"	78.933592
"1344194"	298.990607	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+DMSO+H"	79.021207
"1016003"	303.029776	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2ACN+H"	83.060376
"1537410"	304.023408	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+IsoProp+Na+H"	84.054008
"1001669"	152.018526	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+2ACN+2H"	84.067652
"1601277"	304.938028	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+K+HCOOH"	84.968628
"1425115"	334.969538	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+H+CF3COOH"	115.000138
"1159776"	172.531801	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+3ACN+2H"	125.094202
"1703863"	351.996085	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+NH4+CF3COOH"	132.026685
"1644982"	356.95148	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+Na+CF3COOH"	136.98208
"1572982"	372.92542	"C03664"	"24-Dichlorophenoxyacetate;24-Dichlorophenoxyacetic acid;24-D"	"C8H6Cl2O3"	"219.9694"	"M+K+CF3COOH"	152.95602
"809911"	103.0633	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M"	0
"975060"	84.04491	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"66217"	67.7015906666667	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"503016"	102.056024	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"887954"	33.3471573333333	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"4344"	102.056024	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"446092"	153.587674	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"823893"	50.524374	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"87166"	205.119324	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"522354"	308.182624	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"903436"	102.056024	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"52344"	222.145871	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"490810"	325.209171	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"871893"	119.082571	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"33237"	227.101266	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"473891"	330.164566	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"848614"	124.037966	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1619523"	124.037966	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"95807"	120.044363	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"535245"	171.576013	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"927665"	68.512713	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"269386"	241.096002	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"665090"	344.159302	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1274940"	138.032702	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"17012"	243.075206	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"457910"	346.138506	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"835591"	140.011906	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1560902"	140.011906	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"947327"	148.061494	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"366273"	251.124801	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"353071"	265.140451	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1495705"	162.077151	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"963611"	170.043451	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"113613"	138.032702	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"554268"	189.564352	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1027079"	86.501052	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1247386"	181.982185	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1305456"	184.038172	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1321492"	206.020129	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"913644"	216.048886	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1291825"	252.025564	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1371079"	68.050624	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1389670"	86.0606	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"283521"	207.133876	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"675791"	310.197176	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1351415"	104.070576	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"125896"	104.070576	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"566068"	155.602226	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1037413"	52.538926	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"204503"	69.7161426666667	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"645487"	104.070576	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1162886"	35.3617093333333	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"424822"	224.160423	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"786788"	327.223723	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1681587"	121.097123	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"342233"	112.5838495	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"734289"	164.1154995	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1490662"	61.0521995	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"407398"	229.115818	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"769490"	332.179118	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1618405"	126.052518	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"329326"	115.061547	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"722110"	166.593197	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1475079"	63.529897	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1063951"	42.6890233333333	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1267817"	136.096786	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"387488"	245.089758	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"746297"	348.153058	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1547257"	142.026458	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"309900"	123.048517	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"703417"	174.580167	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1450678"	71.516867	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"245838"	248.160426	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1219641"	145.097126	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1198056"	73.052201	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"194207"	251.09776	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"635955"	354.16106	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1138366"	148.03446	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"179471"	126.052518	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"620123"	177.584168	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1124725"	74.520868	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1407883"	50.0163373333333	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1434895"	150.076046	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"223499"	131.08554	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1508801"	164.12809	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"408723"	134.039488	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"770901"	185.571138	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1668205"	82.507838	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"252294"	270.142368	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1225966"	167.079068	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1717791"	167.102593	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1184240"	57.3436513333333	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1661788"	172.057988	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"166463"	283.04564	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"604929"	386.10894	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1094910"	179.98234	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"146259"	142.026458	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"588005"	193.558108	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1082362"	90.494808	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1111197"	181.996892	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1345397"	182.084507	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1015018"	186.123676	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1537519"	187.117308	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"1004939"	93.565476	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1591913"	188.031928	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1419759"	218.063438	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1156609"	114.078751	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1707254"	235.089985	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1648373"	240.04538	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1573092"	256.01932	"C03665"	"2-Amino-2-methylpropanoate;2-Aminoisobutyric acid"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"810021"	186.0164	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M"	0
"976993"	166.99801	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"66329"	123.003657333333	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"510262"	185.009124	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"889159"	60.9981906666667	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"10650"	185.009124	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"450576"	278.017324	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"822910"	92.000924	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"86183"	371.025524	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"522464"	557.041924	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"903546"	185.009124	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"52454"	388.052071	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"496388"	574.068471	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"874191"	202.035671	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"37721"	393.007466	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"478375"	579.023866	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"858363"	206.991066	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1627895"	206.991066	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"102235"	202.997463	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"542888"	296.005663	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"928747"	109.989263	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"267383"	407.002202	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"660943"	593.018602	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1273467"	220.985802	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"16270"	408.981406	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"457170"	594.997806	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"837524"	222.965006	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1559189"	222.965006	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"945616"	231.014594	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"365290"	417.031001	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"352088"	431.046651	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1494358"	245.030251	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"964087"	252.996551	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"112631"	220.985802	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"552192"	313.994002	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1026824"	127.977602	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1245673"	264.935285	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1304836"	266.991272	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1320549"	288.973229	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"912295"	299.001986	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1291935"	334.978664	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1371189"	151.003724	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1390873"	169.0137	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"285455"	373.040076	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"676174"	559.056476	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1353861"	187.023676	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"125772"	187.023676	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"566667"	280.031876	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1037405"	94.015476	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"204386"	125.018209333333	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"644989"	187.023676	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1165423"	63.0127426666667	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"425296"	390.066623	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"787262"	576.083023	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1681777"	204.050223	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"344291"	195.5369495	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"736585"	288.5451495	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1488584"	102.5287495	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"407144"	395.022018	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"768508"	581.038418	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1617944"	209.005618	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"328830"	198.014647	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"720764"	291.022847	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1475435"	105.006447	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1065153"	70.3400566666667	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1264646"	219.049886	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"387594"	410.995958	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"746406"	597.012358	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1551741"	224.979558	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"306729"	206.001617	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"702434"	299.009817	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1446535"	112.993417	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"239388"	414.066626	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1216471"	228.050226	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1198166"	114.528751	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"192129"	417.00396	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"637158"	603.02036	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1138475"	230.98756	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"177393"	209.005618	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"621326"	302.013818	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1126655"	115.997418	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1407993"	77.6673706666667	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1430307"	233.029146	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"220096"	214.03864	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1509116"	247.08119	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"408625"	216.992588	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"770647"	310.000788	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1666370"	123.984388	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"251436"	436.048568	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1225798"	250.032168	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1720089"	250.055693	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1186538"	84.9946846666667	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1664086"	255.011088	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"167668"	448.95184	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"603945"	634.96824	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1090645"	262.93544	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"142359"	224.979558	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"585928"	317.987758	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1083568"	131.971358	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1112037"	264.949992	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1346601"	265.037607	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1020235"	269.076776	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1536535"	270.070408	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"1000796"	135.042026	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1597489"	270.985028	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1419869"	301.016538	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1156719"	155.555301	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1707364"	318.043085	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1648483"	322.99848	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1573202"	338.97242	"C03666"	"2-Carboxy-ciscis-muconate"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"810131"	184.0008	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M"	0
"977103"	164.98241	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-H2O-H"	-19.01839
"64252"	121.659924	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M-3H"	-3.021828
"507093"	182.993524	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M-3H"	-3.021828
"887083"	60.326324	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-3H"	-3.021828
"8938"	182.993524	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M-2H"	-2.014552
"446312"	274.993924	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M-2H"	-2.014552
"821929"	90.993124	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-2H"	-2.014552
"79733"	366.994324	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M-H"	-1.007276
"520508"	550.995124	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M-H"	-1.007276
"906211"	182.993524	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-H"	-1.007276
"57669"	384.020871	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M-2H+NH4"	16.019271
"491035"	568.021671	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M-2H+NH4"	16.019271
"868836"	200.020071	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-2H+NH4"	16.019271
"38923"	388.976266	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M-2H+Na"	20.974666
"477389"	572.977066	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M-2H+Na"	20.974666
"860659"	204.975466	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-2H+Na"	20.974666
"1629097"	204.975466	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Na-2H"	20.974666
"97972"	200.981863	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M-H+Cl"	33.962126
"534258"	292.982263	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M-H+Cl"	33.962126
"927642"	108.981463	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-H+Cl"	33.962126
"267287"	402.971002	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+Cl"	34.969402
"660196"	586.971802	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+Cl"	34.969402
"1272920"	218.970202	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Cl"	34.969402
"16014"	404.950206	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M-2H+K"	36.948606
"456915"	588.951006	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M-2H+K"	36.948606
"833990"	220.949406	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-2H+K"	36.948606
"1559299"	220.949406	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+K-2H"	36.948606
"947913"	228.998994	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-H+HCOOH"	44.998194
"367223"	412.999801	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+HCOOH-H"	44.998201
"352198"	427.015451	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+Hac-H"	59.013851
"1494829"	243.014651	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Hac-H"	59.013851
"960184"	250.980951	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-H+NaCOOH"	66.980151
"112010"	218.970202	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+2Cl"	69.938804
"554853"	310.970602	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+2Cl"	69.938804
"1024015"	126.969802	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2Cl"	69.938804
"1244690"	262.919685	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Br"	78.918885
"1312244"	264.975672	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Cl+HCOOH"	80.974872
"1325369"	286.957629	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Cl+NaCOOH"	102.956829
"913512"	296.986386	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M-H+CF3COOH"	112.985586
"1294229"	332.963064	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Cl+CF3COOH"	148.962264
"1371298"	148.988124	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H-2H2O"	-35.012676
"1396449"	166.9981	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H-H2O"	-17.0027
"295042"	369.008876	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+H"	1.007276
"678717"	553.009676	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+H"	1.007276
"1353241"	185.008076	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H"	1.007276
"126852"	185.008076	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+2H"	2.014552
"565923"	277.008476	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+2H"	2.014552
"1037428"	93.007676	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2H"	2.014552
"204927"	123.674476	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+3H"	3.021828
"645587"	185.008076	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+3H"	3.021828
"1163234"	62.340876	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+3H"	3.021828
"430645"	386.035423	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+NH4"	18.033823
"800731"	570.036223	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+NH4"	18.033823
"1695877"	202.034623	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+NH4"	18.033823
"344522"	193.5213495	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+H+NH4"	19.041099
"736699"	285.5217495	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+H+NH4"	19.041099
"1490518"	101.5209495	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H+NH4"	19.041099
"407630"	390.990818	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+Na"	22.989218
"769234"	574.991618	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+Na"	22.989218
"1615740"	206.990018	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Na"	22.989218
"329183"	195.999047	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+H+Na"	23.996494
"721726"	287.999447	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+H+Na"	23.996494
"1474207"	103.998647	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H+Na"	23.996494
"1065265"	69.66819	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2H+Na"	25.00377
"1268038"	217.034286	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+CH3OH+H"	33.033486
"386616"	406.964758	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+K"	38.963158
"746522"	590.965558	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+K"	38.963158
"1547481"	222.963958	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+K"	38.963158
"309030"	203.986017	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+H+K"	39.970434
"699264"	295.986417	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+H+K"	39.970434
"1446524"	111.985617	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H+K"	39.970434
"241686"	410.035426	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+ACN+H"	42.033826
"1211116"	226.034626	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+ACN+H"	42.033826
"1202651"	113.520951	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+ACN+2H"	43.041102
"196613"	412.97276	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+2Na-H"	44.97116
"639453"	596.97356	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+2Na-H"	44.97116
"1141867"	228.97196	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2Na-H"	44.97116
"184796"	206.990018	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+2Na"	45.978436
"621440"	298.990418	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+2Na"	45.978436
"1126768"	114.989618	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2Na"	45.978436
"1406283"	76.995504	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H+2Na"	46.985712
"1439492"	231.013546	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H+HCOOH"	47.012746
"225906"	212.02304	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+3H2O+2H"	56.04448
"1511781"	245.06559	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+IsoProp+H"	61.06479
"408790"	214.976988	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+Na+K"	61.952376
"774647"	306.977388	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+Na+K"	61.952376
"1666723"	122.976588	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Na+K"	61.952376
"256417"	432.017368	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+ACN+Na"	64.015768
"1229124"	248.016568	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+ACN+Na"	64.015768
"1718012"	248.040093	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+NH4+HCOOH"	64.039293
"1188835"	84.322818	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+3Na"	68.967654
"1662008"	252.995488	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Na+HCOOH"	68.994688
"161217"	444.92064	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+2K-H"	76.91904
"604056"	628.92144	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+2K-H"	76.91904
"1089662"	260.91984	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2K-H"	76.91904
"146477"	222.963958	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"2M+2K"	77.926316
"589319"	314.964358	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"3M+2K"	77.926316
"1074925"	130.963558	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2K"	77.926316
"1112508"	262.934392	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2K+H"	78.933592
"1343426"	263.022007	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+DMSO+H"	79.021207
"1014147"	267.061176	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2ACN+H"	83.060376
"1531178"	268.054808	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+IsoProp+Na+H"	84.054008
"991066"	134.034226	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+2ACN+2H"	84.067652
"1591036"	268.969428	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+K+HCOOH"	84.968628
"1415605"	299.000938	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+H+CF3COOH"	115.000138
"1147714"	154.547501	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+3ACN+2H"	125.094202
"1697630"	316.027485	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+NH4+CF3COOH"	132.026685
"1636564"	320.98288	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+Na+CF3COOH"	136.98208
"1583155"	336.95682	"C03671"	"2-Pyrone-46-dicarboxylate"	"C7H4O6"	"184.0008"	"M+K+CF3COOH"	152.95602
"813524"	182.0579	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M"	0
"977216"	163.03951	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"75300"	120.364657333333	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"512674"	181.050624	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"888287"	59.6786906666667	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"10143"	181.050624	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"446425"	272.079574	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"828602"	90.021674	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"86407"	363.108524	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"531800"	545.166424	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"909847"	181.050624	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"58145"	380.135071	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"493333"	562.192971	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"867856"	198.077171	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"34663"	385.090466	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"474222"	567.148366	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"852023"	203.032566	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1625930"	203.032566	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"103549"	199.038963	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"535206"	290.067913	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"928962"	108.010013	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"268990"	399.085202	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"660914"	581.143102	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1277829"	217.027302	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"20749"	401.064406	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"458485"	583.122306	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"837016"	219.006506	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1559413"	219.006506	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"951303"	227.056094	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"367331"	409.114001	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"350486"	423.129651	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1496036"	241.071751	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"962849"	249.038051	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"114308"	217.027302	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"554599"	308.056252	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1024854"	125.998352	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1246622"	260.976785	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1312718"	263.032772	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1324751"	285.014729	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"918728"	295.043486	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1296527"	331.020164	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1374690"	147.045224	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1394372"	165.0552	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"288591"	365.123076	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"680284"	547.180976	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1355172"	183.065176	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"126600"	183.065176	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"565953"	274.094126	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1037862"	92.036226	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"205036"	122.379209333333	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"644604"	183.065176	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1162800"	61.6932426666667	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"424337"	382.149623	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"800883"	564.207523	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1696920"	200.091723	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"344750"	191.5784495	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"737533"	282.6073995	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1488073"	100.5494995	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"407975"	387.105018	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"768845"	569.162918	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1614758"	205.047118	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"328318"	194.056147	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"717219"	285.085097	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1469945"	103.027197	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1059910"	69.0205566666667	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1262683"	215.091386	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"383447"	403.078958	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"752465"	585.136858	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1551964"	221.021058	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"311326"	202.043117	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"702655"	293.072067	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1454290"	111.014167	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"249087"	406.149626	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1216693"	224.091726	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1205678"	112.549501	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"196724"	409.08696	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"637377"	591.14486	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1141977"	227.02906	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"187094"	205.047118	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"623737"	296.076068	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1129430"	114.018168	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1408579"	76.3478706666667	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1437416"	229.070646	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"220912"	210.08014	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1509703"	243.12269	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"410483"	213.034088	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"775851"	304.063038	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1667809"	122.005138	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"255434"	428.131568	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1227047"	246.073668	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1715936"	246.097193	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1185664"	83.6751846666667	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1658838"	251.052588	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"166794"	441.03484	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"604166"	623.09274	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1086492"	258.97694	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"148774"	221.021058	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"587242"	312.050008	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1073942"	129.992108	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1109338"	260.991492	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1340255"	261.079107	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1014257"	265.118276	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1531289"	266.111908	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"992270"	133.062776	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1587866"	267.026528	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1417902"	297.058038	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1149287"	153.576051	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1701026"	314.084585	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1638862"	319.03998	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1583265"	335.01392	"C03672"	"3-(4-Hydroxyphenyl)lactate;4-Hydroxyphenyllactate;p-Hydroxyphenyllactate;2-Hydroxy-3-(4-hydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"802696"	595.0118	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M"	0
"975501"	575.99341	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-H2O-H"	-19.01839
"73220"	395.667257333333	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M-3H"	-3.021828
"512782"	594.004524	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M-3H"	-3.021828
"884022"	197.329990666667	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-3H"	-3.021828
"3690"	594.004524	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M-2H"	-2.014552
"443253"	891.510424	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M-2H"	-2.014552
"819962"	296.498624	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-2H"	-2.014552
"79705"	1189.016324	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M-H"	-1.007276
"518779"	1784.028124	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M-H"	-1.007276
"900598"	594.004524	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-H"	-1.007276
"50599"	1206.042871	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M-2H+NH4"	16.019271
"497814"	1801.054671	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M-2H+NH4"	16.019271
"871243"	611.031071	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-2H+NH4"	16.019271
"33917"	1210.998266	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M-2H+Na"	20.974666
"474329"	1806.010066	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M-2H+Na"	20.974666
"853223"	615.986466	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-2H+Na"	20.974666
"1621663"	615.986466	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Na-2H"	20.974666
"95635"	611.992863	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M-H+Cl"	33.962126
"535194"	909.498763	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M-H+Cl"	33.962126
"927979"	314.486963	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-H+Cl"	33.962126
"267633"	1224.993002	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+Cl"	34.969402
"660413"	1820.004802	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+Cl"	34.969402
"1277940"	629.981202	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Cl"	34.969402
"20495"	1226.972206	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M-2H+K"	36.948606
"459688"	1821.984006	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M-2H+K"	36.948606
"838220"	631.960406	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-2H+K"	36.948606
"1564626"	631.960406	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+K-2H"	36.948606
"948133"	640.009994	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-H+HCOOH"	44.998194
"364159"	1235.021801	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+HCOOH-H"	44.998201
"350596"	1249.037451	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+Hac-H"	59.013851
"1494322"	654.025651	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Hac-H"	59.013851
"962959"	661.991951	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-H+NaCOOH"	66.980151
"113689"	629.981202	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+2Cl"	69.938804
"552885"	927.487102	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+2Cl"	69.938804
"1025692"	332.475302	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2Cl"	69.938804
"1245275"	673.930685	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Br"	78.918885
"1311371"	675.986672	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Cl+HCOOH"	80.974872
"1322309"	697.968629	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Cl+NaCOOH"	102.956829
"919931"	707.997386	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M-H+CF3COOH"	112.985586
"1293358"	743.974064	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Cl+CF3COOH"	148.962264
"1376987"	559.999124	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H-2H2O"	-35.012676
"1389016"	578.0091	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H-H2O"	-17.0027
"291982"	1191.030876	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+H"	1.007276
"677479"	1786.042676	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+H"	1.007276
"1352363"	596.019076	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H"	1.007276
"125739"	596.019076	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+2H"	2.014552
"566135"	893.524976	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+2H"	2.014552
"1037366"	298.513176	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2H"	2.014552
"205027"	397.681809333333	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+3H"	3.021828
"644386"	596.019076	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+3H"	3.021828
"1163211"	199.344542666667	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+3H"	3.021828
"424413"	1208.057423	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+NH4"	18.033823
"800619"	1803.069223	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+NH4"	18.033823
"1696462"	613.045623	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+NH4"	18.033823
"341940"	604.5323495	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+H+NH4"	19.041099
"732173"	902.0382495	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+H+NH4"	19.041099
"1488179"	307.0264495	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H+NH4"	19.041099
"407840"	1213.012818	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+Na"	22.989218
"767861"	1808.024618	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+Na"	22.989218
"1612683"	618.001018	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Na"	22.989218
"327092"	607.010047	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+H+Na"	23.996494
"719513"	904.515947	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+H+Na"	23.996494
"1472240"	309.504147	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H+Na"	23.996494
"1058926"	206.671856666667	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2H+Na"	25.00377
"1260606"	628.045286	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+CH3OH+H"	33.033486
"383556"	1228.986758	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+K"	38.963158
"752938"	1823.998558	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+K"	38.963158
"1554261"	633.974958	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+K"	38.963158
"310343"	614.997017	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+H+K"	39.970434
"706049"	912.502917	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+H+K"	39.970434
"1458776"	317.491117	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H+K"	39.970434
"249562"	1232.057426	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+ACN+H"	42.033826
"1218990"	637.045626	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+ACN+H"	42.033826
"1207975"	319.026451	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+ACN+2H"	43.041102
"197927"	1234.99476	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+2Na-H"	44.97116
"636394"	1830.00656	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+2Na-H"	44.97116
"1140993"	639.98296	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2Na-H"	44.97116
"187931"	618.001018	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+2Na"	45.978436
"624940"	915.506918	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+2Na"	45.978436
"1129905"	320.495118	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2Na"	45.978436
"1408689"	213.999170666667	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H+2Na"	46.985712
"1438620"	642.024546	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H+HCOOH"	47.012746
"223939"	623.03404	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+3H2O+2H"	56.04448
"1509934"	656.07659	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+IsoProp+H"	61.06479
"409859"	625.987988	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+Na+K"	61.952376
"773045"	923.493888	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+Na+K"	61.952376
"1667918"	328.482088	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Na+K"	61.952376
"255544"	1254.039368	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+ACN+Na"	64.015768
"1226017"	659.027568	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+ACN+Na"	64.015768
"1717139"	659.051093	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+NH4+HCOOH"	64.039293
"1182494"	221.326484666667	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+3Na"	68.967654
"1658948"	664.006488	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Na+HCOOH"	68.994688
"164717"	1266.94264	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+2K-H"	76.91904
"604276"	1861.95444	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+2K-H"	76.91904
"1089882"	671.93084	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2K-H"	76.91904
"144509"	633.974958	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"2M+2K"	77.926316
"589539"	931.480858	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"3M+2K"	77.926316
"1075145"	336.469058	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2K"	77.926316
"1111636"	673.945392	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2K+H"	78.933592
"1340366"	674.033007	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+DMSO+H"	79.021207
"1012179"	678.072176	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2ACN+H"	83.060376
"1531398"	679.065808	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+IsoProp+Na+H"	84.054008
"998940"	339.539726	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+2ACN+2H"	84.067652
"1587976"	679.980428	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+K+HCOOH"	84.968628
"1418011"	710.011938	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+H+CF3COOH"	115.000138
"1149397"	360.053001	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+3ACN+2H"	125.094202
"1701136"	727.038485	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+NH4+CF3COOH"	132.026685
"1640065"	731.99388	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+Na+CF3COOH"	136.98208
"1583375"	747.96782	"C03673"	"3-(ADP)-2-phosphoglycerate"	"C13H20N5O16P3"	"595.0118"	"M+K+CF3COOH"	152.95602
"803902"	158.0215	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M"	0
"975246"	139.00311	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-H2O-H"	-19.01839
"63728"	104.340390666667	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M-3H"	-3.021828
"503654"	157.014224	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M-3H"	-3.021828
"881947"	51.6665573333333	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-3H"	-3.021828
"5990"	157.014224	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M-2H"	-2.014552
"443363"	236.024974	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M-2H"	-2.014552
"821163"	78.003474	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-2H"	-2.014552
"79696"	315.035724	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M-H"	-1.007276
"519012"	473.057224	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M-H"	-1.007276
"899615"	157.014224	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-H"	-1.007276
"53989"	332.062271	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M-2H+NH4"	16.019271
"498290"	490.083771	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M-2H+NH4"	16.019271
"873539"	174.040771	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-2H+NH4"	16.019271
"35972"	337.017666	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M-2H+Na"	20.974666
"478812"	495.039166	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M-2H+Na"	20.974666
"852240"	178.996166	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-2H+Na"	20.974666
"1622868"	178.996166	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Na-2H"	20.974666
"95017"	175.002563	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M-H+Cl"	33.962126
"534939"	254.013313	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M-H+Cl"	33.962126
"927364"	95.991813	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-H+Cl"	33.962126
"271035"	351.012402	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+Cl"	34.969402
"665645"	509.033902	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+Cl"	34.969402
"1279142"	192.990902	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Cl"	34.969402
"20604"	352.991606	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M-2H+K"	36.948606
"459798"	511.013106	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M-2H+K"	36.948606
"833589"	194.970106	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-2H+K"	36.948606
"1560361"	194.970106	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+K-2H"	36.948606
"946420"	203.019694	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-H+HCOOH"	44.998194
"364633"	361.041201	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+HCOOH-H"	44.998201
"348517"	375.056851	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+Hac-H"	59.013851
"1494432"	217.035351	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Hac-H"	59.013851
"960875"	225.001651	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-H+NaCOOH"	66.980151
"113798"	192.990902	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+2Cl"	69.938804
"551167"	272.001652	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+2Cl"	69.938804
"1027266"	113.980152	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2Cl"	69.938804
"1245749"	236.940385	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Br"	78.918885
"1311487"	238.996372	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Cl+HCOOH"	80.974872
"1322054"	260.978329	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Cl+NaCOOH"	102.956829
"922958"	271.007086	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M-H+CF3COOH"	112.985586
"1292375"	306.983764	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Cl+CF3COOH"	148.962264
"1372724"	123.008824	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H-2H2O"	-35.012676
"1391313"	141.0188	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H-H2O"	-17.0027
"288813"	317.050276	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+H"	1.007276
"679049"	475.071776	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+H"	1.007276
"1353202"	159.028776	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H"	1.007276
"125961"	159.028776	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+2H"	2.014552
"565806"	238.039526	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+2H"	2.014552
"1037138"	80.018026	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2H"	2.014552
"204651"	106.354942666667	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+3H"	3.021828
"644377"	159.028776	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+3H"	3.021828
"1163446"	53.6811093333333	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+3H"	3.021828
"438272"	334.076823	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+NH4"	18.033823
"801139"	492.098323	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+NH4"	18.033823
"1696655"	176.055323	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+NH4"	18.033823
"340958"	167.5420495	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+H+NH4"	19.041099
"733377"	246.5527995	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+H+NH4"	19.041099
"1490854"	88.5312995	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H+NH4"	19.041099
"408357"	339.032218	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+Na"	22.989218
"764696"	497.053718	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+Na"	22.989218
"1614982"	181.010718	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Na"	22.989218
"329716"	170.019747	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+H+Na"	23.996494
"719622"	249.030497	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+H+Na"	23.996494
"1470166"	91.008997	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H+Na"	23.996494
"1060130"	61.0084233333333	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2H+Na"	25.00377
"1267279"	191.054986	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+CH3OH+H"	33.033486
"391691"	355.006158	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+K"	38.963158
"751226"	513.027658	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+K"	38.963158
"1551091"	196.984658	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+K"	38.963158
"308267"	178.006717	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+H+K"	39.970434
"705431"	257.017467	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+H+K"	39.970434
"1458886"	98.995967	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H+K"	39.970434
"248944"	358.076826	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+ACN+H"	42.033826
"1222379"	200.055326	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+ACN+H"	42.033826
"1207356"	100.531301	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+ACN+2H"	43.041102
"198038"	361.01416	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+2Na-H"	44.97116
"639420"	519.03566	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+2Na-H"	44.97116
"1145478"	202.99266	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2Na-H"	44.97116
"187676"	181.010718	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+2Na"	45.978436
"625050"	260.021468	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+2Na"	45.978436
"1125276"	101.999968	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2Na"	45.978436
"1407706"	68.3357373333333	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H+2Na"	46.985712
"1438728"	205.034246	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H+HCOOH"	47.012746
"230610"	186.04374	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+3H2O+2H"	56.04448
"1518671"	219.08629	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+IsoProp+H"	61.06479
"411795"	188.997688	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+Na+K"	61.952376
"773155"	268.008438	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+Na+K"	61.952376
"1665972"	109.986938	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Na+K"	61.952376
"252978"	380.058768	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+ACN+Na"	64.015768
"1225930"	222.037268	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+ACN+Na"	64.015768
"1716155"	222.060793	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+NH4+HCOOH"	64.039293
"1186978"	75.6630513333333	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+3Na"	68.967654
"1656872"	227.016188	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Na+HCOOH"	68.994688
"164827"	392.96204	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+2K-H"	76.91904
"607666"	550.98354	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+2K-H"	76.91904
"1089992"	234.94054	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2K-H"	76.91904
"144621"	196.984658	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"2M+2K"	77.926316
"586367"	275.995408	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"3M+2K"	77.926316
"1076349"	117.973908	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2K"	77.926316
"1105185"	236.955092	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2K+H"	78.933592
"1340480"	237.042707	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+DMSO+H"	79.021207
"1011196"	241.081876	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2ACN+H"	83.060376
"1533695"	242.075508	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+IsoProp+Na+H"	84.054008
"991517"	121.044576	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+2ACN+2H"	84.067652
"1587593"	242.990128	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+K+HCOOH"	84.968628
"1425782"	273.021638	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+H+CF3COOH"	115.000138
"1148778"	141.557851	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+3ACN+2H"	125.094202
"1701247"	290.048185	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+NH4+CF3COOH"	132.026685
"1635073"	295.00358	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+Na+CF3COOH"	136.98208
"1576924"	310.97752	"C03676"	"3-Hydroxy-ciscis-muconate"	"C6H6O5"	"158.0215"	"M+K+CF3COOH"	152.95602
"809480"	351.1709	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M"	0
"976814"	332.15251	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-H2O-H"	-19.01839
"65057"	233.106657333333	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M-3H"	-3.021828
"507535"	350.163624	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M-3H"	-3.021828
"882057"	116.049690666667	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-3H"	-3.021828
"6100"	350.163624	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M-2H"	-2.014552
"440921"	525.749074	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M-2H"	-2.014552
"821273"	174.578174	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-2H"	-2.014552
"80536"	701.334524	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M-H"	-1.007276
"518836"	1052.505424	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M-H"	-1.007276
"900089"	350.163624	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-H"	-1.007276
"51183"	718.361071	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M-2H+NH4"	16.019271
"494754"	1069.531971	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M-2H+NH4"	16.019271
"867087"	367.190171	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-2H+NH4"	16.019271
"36082"	723.316466	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M-2H+Na"	20.974666
"475640"	1074.487366	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M-2H+Na"	20.974666
"855630"	372.145566	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-2H+Na"	20.974666
"1622977"	372.145566	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Na-2H"	20.974666
"95858"	368.151963	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M-H+Cl"	33.962126
"535419"	543.737413	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M-H+Cl"	33.962126
"927309"	192.566513	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-H+Cl"	33.962126
"271145"	737.311202	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+Cl"	34.969402
"662108"	1088.482102	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+Cl"	34.969402
"1275243"	386.140302	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Cl"	34.969402
"18892"	739.290406	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M-2H+K"	36.948606
"459178"	1090.461306	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M-2H+K"	36.948606
"832792"	388.119506	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-2H+K"	36.948606
"1560471"	388.119506	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+K-2H"	36.948606
"945801"	396.169094	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-H+HCOOH"	44.998194
"364743"	747.340001	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+HCOOH-H"	44.998201
"347898"	761.355651	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+Hac-H"	59.013851
"1493813"	410.184751	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Hac-H"	59.013851
"959164"	418.151051	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-H+NaCOOH"	66.980151
"113179"	386.140302	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+2Cl"	69.938804
"550032"	561.725752	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+2Cl"	69.938804
"1024461"	210.554852	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2Cl"	69.938804
"1245130"	430.089785	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Br"	78.918885
"1311597"	432.145772	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Cl+HCOOH"	80.974872
"1321072"	454.127729	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Cl+NaCOOH"	102.956829
"924161"	464.156486	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M-H+CF3COOH"	112.985586
"1292485"	500.133164	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Cl+CF3COOH"	148.962264
"1372834"	316.158224	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H-2H2O"	-35.012676
"1391423"	334.1682	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H-H2O"	-17.0027
"290016"	703.349076	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+H"	1.007276
"679159"	1054.519976	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+H"	1.007276
"1351489"	352.178176	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H"	1.007276
"125869"	352.178176	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+2H"	2.014552
"565737"	527.763626	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+2H"	2.014552
"1037261"	176.592726	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2H"	2.014552
"205128"	235.121209333333	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+3H"	3.021828
"644931"	352.178176	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+3H"	3.021828
"1163543"	118.064242666667	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+3H"	3.021828
"424872"	720.375623	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+NH4"	18.033823
"800105"	1071.546523	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+NH4"	18.033823
"1696560"	369.204723	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+NH4"	18.033823
"339974"	360.6914495	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+H+NH4"	19.041099
"733486"	536.2768995	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+H+NH4"	19.041099
"1491690"	185.1059995	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H+NH4"	19.041099
"407087"	725.331018	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+Na"	22.989218
"766992"	1076.501918	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+Na"	22.989218
"1615092"	374.160118	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Na"	22.989218
"329013"	363.169147	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+H+Na"	23.996494
"718639"	538.754597	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+H+Na"	23.996494
"1470276"	187.583697	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H+Na"	23.996494
"1059146"	125.391556666667	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2H+Na"	25.00377
"1267389"	384.204386	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+CH3OH+H"	33.033486
"392165"	741.304958	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+K"	38.963158
"751336"	1092.475858	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+K"	38.963158
"1551201"	390.134058	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+K"	38.963158
"308377"	371.156117	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+H+K"	39.970434
"705539"	546.741567	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+H+K"	39.970434
"1458996"	195.570667	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H+K"	39.970434
"249418"	744.375626	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+ACN+H"	42.033826
"1222125"	393.204726	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+ACN+H"	42.033826
"1208195"	197.106001	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+ACN+2H"	43.041102
"198148"	747.31296	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+2Na-H"	44.97116
"640260"	1098.48386	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+2Na-H"	44.97116
"1142673"	396.14206	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2Na-H"	44.97116
"185964"	374.160118	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+2Na"	45.978436
"624066"	549.745568	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+2Na"	45.978436
"1125386"	198.574668	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2Na"	45.978436
"1406724"	132.718870666667	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H+2Na"	46.985712
"1437743"	398.183646	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H+HCOOH"	47.012746
"231813"	379.19314	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+3H2O+2H"	56.04448
"1520967"	412.23569	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+IsoProp+H"	61.06479
"411905"	382.147088	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+Na+K"	61.952376
"770467"	557.732538	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+Na+K"	61.952376
"1667056"	206.561638	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Na+K"	61.952376
"253940"	766.357568	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+ACN+Na"	64.015768
"1227377"	415.186668	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+ACN+Na"	64.015768
"1715536"	415.210193	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+NH4+HCOOH"	64.039293
"1187088"	140.046184666667	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+3Na"	68.967654
"1651998"	420.165588	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Na+HCOOH"	68.994688
"160924"	779.26084	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+2K-H"	76.91904
"606683"	1130.43174	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+2K-H"	76.91904
"1091195"	428.08994	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2K-H"	76.91904
"142783"	390.134058	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"2M+2K"	77.926316
"586478"	565.719508	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"3M+2K"	77.926316
"1073179"	214.548608	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2K"	77.926316
"1102743"	430.104492	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2K+H"	78.933592
"1339497"	430.192107	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+DMSO+H"	79.021207
"1012399"	434.231276	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2ACN+H"	83.060376
"1531618"	435.224908	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+IsoProp+Na+H"	84.054008
"990897"	217.619276	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+2ACN+2H"	84.067652
"1587585"	436.139528	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+K+HCOOH"	84.968628
"1426985"	466.171038	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+H+CF3COOH"	115.000138
"1149617"	238.132551	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+3ACN+2H"	125.094202
"1701357"	483.197585	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+NH4+CF3COOH"	132.026685
"1634939"	488.15298	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+Na+CF3COOH"	136.98208
"1577034"	504.12692	"C03677"	"421-Dehydrogeissoschizine"	"C21H23N2O3"	"351.1709"	"M+K+CF3COOH"	152.95602
"803028"	119.0582	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M"	0
"975465"	100.03981	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"64803"	78.3648573333333	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"505456"	118.050924	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"882167"	38.6787906666667	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"5117"	118.050924	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"441396"	177.580024	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"821383"	58.521824	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"78943"	237.109124	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"518746"	356.167324	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"898742"	118.050924	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"50929"	254.135671	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"494864"	373.193871	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"867197"	135.077471	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"36191"	259.091066	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"474657"	378.149266	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"854647"	140.032866	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1623087"	140.032866	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"95602"	136.039263	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"534429"	195.568363	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"927086"	76.510163	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"267484"	273.085802	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"660999"	392.144002	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1274256"	154.027602	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"15762"	275.065006	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"455684"	394.123206	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"833154"	156.006806	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1557662"	156.006806	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"945909"	164.056394	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"363029"	283.114601	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"345702"	297.130251	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1492815"	178.072051	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"959639"	186.038351	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"110857"	154.027602	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"550780"	213.556702	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1023837"	94.498502	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1241343"	197.977085	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1311707"	200.033072	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1321182"	222.015029	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"924635"	232.043786	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1293688"	268.020464	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1372944"	84.045524	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1391533"	102.0555	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"291219"	239.123676	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"681455"	358.181876	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1352206"	120.065476	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"126018"	120.065476	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"566147"	179.594576	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1037453"	60.536376	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"205355"	80.3794093333333	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"645405"	120.065476	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1163654"	40.6933426666667	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"425832"	256.150223	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"799487"	375.208423	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1696428"	137.092023	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"340084"	128.5787495	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"732503"	188.1078495	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1489613"	69.0496495	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"406102"	261.105618	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"766006"	380.163818	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1613010"	142.047418	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"326327"	131.056447	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"714375"	190.585547	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1466010"	71.527347	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1057065"	48.0206566666667	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1267499"	152.091686	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"390085"	277.079558	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"747072"	396.137758	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1550218"	158.021358	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"305205"	139.043417	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"702730"	198.572517	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1451448"	79.514317	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"248068"	280.150226	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1216037"	161.092026	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1201013"	81.049651	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"194976"	283.08756	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"631984"	402.14576	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1139136"	164.02936	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"180242"	142.047418	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"620895"	201.576518	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1120027"	82.518318	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1398728"	55.3479706666667	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1435665"	166.070946	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"224631"	147.08044	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1509413"	180.12299	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"409095"	150.034388	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"772033"	209.563488	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1666435"	90.505288	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"251861"	302.132168	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1227123"	183.073968	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1713822"	183.097493	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1187198"	62.6752846666667	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1652351"	188.052888	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"160305"	315.03544	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"604606"	434.09364	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1092398"	195.97724	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"143380"	158.021358	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"586587"	217.550458	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1073289"	98.492258	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1103218"	197.991792	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1338514"	198.079407	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1007404"	202.118576	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1526261"	203.112208	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"990156"	101.562926	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1587137"	204.026828	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1427095"	234.058338	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1149727"	122.076201	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1701467"	251.084885	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1635292"	256.04028	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1577144"	272.01422	"C03678"	"4-Amino-3-hydroxybutanoate;4-Amino-3-hydroxybutanoic acid;gamma-Amino-beta-hydroxybutyric acid;GABOB"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"803502"	151.0189	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M"	0
"975210"	132.00051	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-H2O-H"	-19.01839
"64913"	99.6719906666667	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M-3H"	-3.021828
"505566"	150.011624	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M-3H"	-3.021828
"882641"	49.3323573333333	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-3H"	-3.021828
"6320"	150.011624	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M-2H"	-2.014552
"442599"	225.521074	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M-2H"	-2.014552
"822587"	74.502174	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-2H"	-2.014552
"81487"	301.030524	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M-H"	-1.007276
"521049"	452.049424	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M-H"	-1.007276
"905412"	150.011624	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-H"	-1.007276
"56507"	318.057071	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M-2H+NH4"	16.019271
"494976"	469.075971	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M-2H+NH4"	16.019271
"870589"	167.038171	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-2H+NH4"	16.019271
"37395"	323.012466	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M-2H+Na"	20.974666
"474767"	474.031366	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M-2H+Na"	20.974666
"853664"	171.993566	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-2H+Na"	20.974666
"1623197"	171.993566	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Na-2H"	20.974666
"94983"	167.999963	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M-H+Cl"	33.962126
"534540"	243.509413	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M-H+Cl"	33.962126
"927683"	92.490513	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-H+Cl"	33.962126
"268446"	337.007202	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+Cl"	34.969402
"661959"	488.026102	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+Cl"	34.969402
"1275822"	185.988302	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Cl"	34.969402
"15734"	338.986406	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M-2H+K"	36.948606
"456760"	490.005306	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M-2H+K"	36.948606
"833184"	187.967506	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-2H+K"	36.948606
"1555754"	187.967506	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+K-2H"	36.948606
"942923"	196.017094	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-H+HCOOH"	44.998194
"364598"	347.036001	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+HCOOH-H"	44.998201
"346413"	361.051651	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+Hac-H"	59.013851
"1493420"	210.032751	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Hac-H"	59.013851
"960113"	217.999051	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-H+NaCOOH"	66.980151
"110962"	185.988302	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+2Cl"	69.938804
"551010"	261.497752	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+2Cl"	69.938804
"1021674"	110.478852	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2Cl"	69.938804
"1241452"	229.937785	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Br"	78.918885
"1308537"	231.993772	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Cl+HCOOH"	80.974872
"1322382"	253.975729	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Cl+NaCOOH"	102.956829
"923652"	264.004486	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M-H+CF3COOH"	112.985586
"1292705"	299.981164	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Cl+CF3COOH"	148.962264
"1371961"	116.006224	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H-2H2O"	-35.012676
"1392736"	134.0162	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H-H2O"	-17.0027
"291329"	303.045076	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+H"	1.007276
"681565"	454.063976	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+H"	1.007276
"1351869"	152.026176	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H"	1.007276
"126296"	152.026176	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+2H"	2.014552
"565851"	227.535626	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+2H"	2.014552
"1037201"	76.516726	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2H"	2.014552
"204618"	101.686542666667	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+3H"	3.021828
"644424"	152.026176	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+3H"	3.021828
"1163277"	51.3469093333333	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+3H"	3.021828
"425454"	320.071623	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+NH4"	18.033823
"798866"	471.090523	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+NH4"	18.033823
"1694470"	169.052723	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+NH4"	18.033823
"341286"	160.5394495	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+H+NH4"	19.041099
"733706"	236.0488995	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+H+NH4"	19.041099
"1487529"	85.0299995	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H+NH4"	19.041099
"405118"	325.027018	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+Na"	22.989218
"766116"	476.045918	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+Na"	22.989218
"1612026"	174.008118	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Na"	22.989218
"326436"	163.017147	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+H+Na"	23.996494
"710111"	238.526597	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+H+Na"	23.996494
"1470493"	87.507697	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H+Na"	23.996494
"1058269"	58.6742233333333	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2H+Na"	25.00377
"1263235"	184.052386	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+CH3OH+H"	33.033486
"388372"	341.000958	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+K"	38.963158
"744993"	492.019858	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+K"	38.963158
"1547046"	189.982058	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+K"	38.963158
"304222"	171.004117	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+H+K"	39.970434
"701017"	246.513567	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+H+K"	39.970434
"1448641"	95.494667	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H+K"	39.970434
"242345"	344.071626	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+ACN+H"	42.033826
"1213231"	193.052726	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+ACN+H"	42.033826
"1196748"	97.030001	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+ACN+2H"	43.041102
"191441"	347.00896	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+2Na-H"	44.97116
"631367"	498.02786	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+2Na-H"	44.97116
"1138153"	195.99006	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2Na-H"	44.97116
"178164"	174.008118	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+2Na"	45.978436
"615537"	249.517568	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+2Na"	45.978436
"1119408"	98.498668	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2Na"	45.978436
"1400380"	66.0015373333333	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H+2Na"	46.985712
"1436868"	198.031646	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H+HCOOH"	47.012746
"223646"	179.04114	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+3H2O+2H"	56.04448
"1512439"	212.08369	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+IsoProp+H"	61.06479
"409327"	181.995088	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+Na+K"	61.952376
"770686"	257.504538	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+Na+K"	61.952376
"1668368"	106.485638	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Na+K"	61.952376
"259258"	366.053568	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+ACN+Na"	64.015768
"1228325"	215.034668	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+ACN+Na"	64.015768
"1716482"	215.058193	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+NH4+HCOOH"	64.039293
"1181475"	73.3288513333333	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+3Na"	68.967654
"1653189"	220.013588	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Na+HCOOH"	68.994688
"161144"	378.95684	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+2K-H"	76.91904
"602529"	529.97574	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+2K-H"	76.91904
"1087769"	227.93794	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2K-H"	76.91904
"148231"	189.982058	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"2M+2K"	77.926316
"584510"	265.491508	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"3M+2K"	77.926316
"1070482"	114.472608	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2K"	77.926316
"1103328"	229.952492	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2K+H"	78.933592
"1336554"	230.040107	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+DMSO+H"	79.021207
"1006421"	234.079276	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2ACN+H"	83.060376
"1526371"	235.072908	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+IsoProp+Na+H"	84.054008
"991966"	117.543276	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+2ACN+2H"	84.067652
"1587193"	235.987528	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+K+HCOOH"	84.968628
"1425019"	266.019038	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+H+CF3COOH"	115.000138
"1149837"	138.056551	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+3ACN+2H"	125.094202
"1701577"	283.045585	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+NH4+CF3COOH"	132.026685
"1634673"	288.00098	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+Na+CF3COOH"	136.98208
"1573974"	303.97492	"C03679"	"4-Chlorophenylacetonitrile;4-Chlorobenzyl cyanide"	"C8H6ClN"	"151.0189"	"M+K+CF3COOH"	152.95602
"802640"	156.0535	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M"	0
"977871"	137.03511	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-H2O-H"	-19.01839
"63930"	103.028390666667	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M-3H"	-3.021828
"508959"	155.046224	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M-3H"	-3.021828
"886761"	51.0105573333333	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-3H"	-3.021828
"6431"	155.046224	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M-2H"	-2.014552
"448180"	233.072974	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M-2H"	-2.014552
"819421"	77.019474	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-2H"	-2.014552
"88160"	311.099724	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M-H"	-1.007276
"527720"	467.153224	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M-H"	-1.007276
"903337"	155.046224	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-H"	-1.007276
"59536"	328.126271	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M-2H+NH4"	16.019271
"496183"	484.179771	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M-2H+NH4"	16.019271
"875077"	172.072771	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-2H+NH4"	16.019271
"42976"	333.081666	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M-2H+Na"	20.974666
"484722"	489.135166	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M-2H+Na"	20.974666
"861429"	177.028166	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-2H+Na"	20.974666
"1631691"	177.028166	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Na-2H"	20.974666
"103117"	173.034563	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M-H+Cl"	33.962126
"542678"	251.061313	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M-H+Cl"	33.962126
"931089"	95.007813	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-H+Cl"	33.962126
"270743"	347.076402	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+Cl"	34.969402
"661705"	503.129902	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+Cl"	34.969402
"1274475"	191.022902	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Cl"	34.969402
"17031"	349.055606	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M-2H+K"	36.948606
"456465"	505.109106	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M-2H+K"	36.948606
"834758"	193.002106	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-2H+K"	36.948606
"1558611"	193.002106	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+K-2H"	36.948606
"945766"	201.051694	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-H+HCOOH"	44.998194
"363252"	357.105201	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+HCOOH-H"	44.998201
"346526"	371.120851	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+Hac-H"	59.013851
"1494513"	215.067351	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Hac-H"	59.013851
"962785"	223.033651	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-H+NaCOOH"	66.980151
"112418"	191.022902	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+2Cl"	69.938804
"553438"	269.049652	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+2Cl"	69.938804
"1022598"	112.996152	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2Cl"	69.938804
"1242297"	234.972385	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Br"	78.918885
"1311928"	237.028372	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Cl+HCOOH"	80.974872
"1330518"	259.010329	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Cl+NaCOOH"	102.956829
"924857"	269.039086	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M-H+CF3COOH"	112.985586
"1296096"	305.015764	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Cl+CF3COOH"	148.962264
"1378633"	121.040824	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H-2H2O"	-35.012676
"1395035"	139.0508	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H-H2O"	-17.0027
"287069"	313.114276	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+H"	1.007276
"681675"	469.167776	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+H"	1.007276
"1354742"	157.060776	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H"	1.007276
"129818"	157.060776	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+2H"	2.014552
"566457"	235.087526	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+2H"	2.014552
"1041455"	79.034026	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2H"	2.014552
"205101"	105.042942666667	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+3H"	3.021828
"644240"	157.060776	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+3H"	3.021828
"1163639"	53.0251093333333	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+3H"	3.021828
"424259"	330.140823	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+NH4"	18.033823
"785756"	486.194323	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+NH4"	18.033823
"1686555"	174.087323	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+NH4"	18.033823
"339208"	165.5740495	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+H+NH4"	19.041099
"737827"	243.6007995	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+H+NH4"	19.041099
"1489461"	87.5472995	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H+NH4"	19.041099
"405228"	335.096218	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+Na"	22.989218
"767319"	491.149718	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+Na"	22.989218
"1616878"	179.042718	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Na"	22.989218
"328735"	168.051747	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+H+Na"	23.996494
"717877"	246.078497	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+H+Na"	23.996494
"1471698"	90.024997	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H+Na"	23.996494
"1062757"	60.3524233333333	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2H+Na"	25.00377
"1266625"	189.086986	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+CH3OH+H"	33.033486
"386296"	351.070158	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+K"	38.963158
"748383"	507.123658	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+K"	38.963158
"1549342"	195.016658	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+K"	38.963158
"309798"	176.038717	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+H+K"	39.970434
"696755"	254.065467	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+H+K"	39.970434
"1457134"	98.011967	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H+K"	39.970434
"246830"	354.140826	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+ACN+H"	42.033826
"1218444"	198.087326	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+ACN+H"	42.033826
"1200868"	99.547301	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+ACN+2H"	43.041102
"195563"	357.07816	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+2Na-H"	44.97116
"636948"	513.13166	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+2Na-H"	44.97116
"1139361"	201.02466	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2Na-H"	44.97116
"184474"	179.042718	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+2Na"	45.978436
"617470"	257.069468	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+2Na"	45.978436
"1120250"	101.015968	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2Na"	45.978436
"1400493"	67.6797373333333	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H+2Na"	46.985712
"1434797"	203.066246	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H+HCOOH"	47.012746
"227770"	184.07574	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+3H2O+2H"	56.04448
"1512551"	217.11829	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+IsoProp+H"	61.06479
"413331"	187.029688	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+Na+K"	61.952376
"771774"	265.056438	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+Na+K"	61.952376
"1668112"	109.002938	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Na+K"	61.952376
"253172"	376.122768	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+ACN+Na"	64.015768
"1230255"	220.069268	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+ACN+Na"	64.015768
"1715136"	220.092793	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+NH4+HCOOH"	64.039293
"1186325"	75.0070513333333	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+3Na"	68.967654
"1657311"	225.048188	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Na+HCOOH"	68.994688
"160526"	389.02604	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+2K-H"	76.91904
"608836"	545.07954	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+2K-H"	76.91904
"1095900"	232.97254	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2K-H"	76.91904
"154781"	195.016658	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"2M+2K"	77.926316
"592276"	273.043408	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"3M+2K"	77.926316
"1074601"	116.989908	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2K"	77.926316
"1107812"	234.987092	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2K+H"	78.933592
"1348571"	235.074707	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+DMSO+H"	79.021207
"1012727"	239.113876	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2ACN+H"	83.060376
"1533038"	240.107508	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+IsoProp+Na+H"	84.054008
"999489"	120.060576	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+2ACN+2H"	84.067652
"1595086"	241.022128	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+K+HCOOH"	84.968628
"1420745"	271.053638	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+H+CF3COOH"	115.000138
"1148118"	140.573851	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+3ACN+2H"	125.094202
"1698763"	288.080185	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+NH4+CF3COOH"	132.026685
"1634418"	293.03558	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+Na+CF3COOH"	136.98208
"1574084"	309.00952	"C03680"	"4-Imidazolone-5-propanoate;4-Imidazolone-5-propionic acid;45-Dihydro-4-oxo-5-imidazolepropanoate"	"C6H8N2O3"	"156.0535"	"M+K+CF3COOH"	152.95602
"802993"	316.2402	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M"	0
"976521"	297.22181	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"63796"	209.819524	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"509069"	315.232924	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"886871"	104.406124	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"8727"	315.232924	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"445007"	473.353024	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"822811"	157.112824	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"83895"	631.473124	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"531110"	947.713324	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"907821"	315.232924	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"56732"	648.499671	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"498480"	964.739871	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"875186"	332.259471	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"43085"	653.455066	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"484832"	969.695266	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"862633"	337.214866	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1632165"	337.214866	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"104320"	333.221263	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"542788"	491.341363	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"930106"	175.101163	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"269030"	667.449802	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"661815"	983.690002	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1275678"	351.209602	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"16775"	669.429006	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"456819"	985.669206	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"835232"	353.188806	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1556900"	353.188806	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"944420"	361.238394	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"361582"	677.478601	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"346151"	691.494251	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1494623"	375.254051	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"962530"	383.220351	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"111802"	351.209602	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"552816"	509.329702	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1021531"	193.089502	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1243384"	395.159085	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1305099"	397.215072	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1321503"	419.197029	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"912077"	429.225786	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1296205"	465.202464	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1369992"	281.227524	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1388585"	299.2375	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"285352"	633.487676	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"677045"	949.727876	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1351570"	317.247476	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"127739"	317.247476	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"566081"	475.367576	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1038285"	159.127376	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"204352"	211.834076	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"644718"	317.247476	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1163018"	106.420676	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"424379"	650.514223	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"785857"	966.754423	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1686662"	334.274023	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"339318"	325.7607495	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"735749"	483.8808495	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1485562"	167.6406495	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"406797"	655.469618	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"766335"	971.709818	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1614072"	339.229418	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"328845"	328.238447	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"720903"	486.358547	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1471809"	170.118347	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1061775"	113.74799	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1265642"	349.273686	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"386406"	671.443558	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"747400"	987.683758	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1547266"	355.203358	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"307721"	336.225417	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"700144"	494.345517	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1456151"	178.105317	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"246940"	674.514226	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1218555"	358.274026	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1200979"	179.640651	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"195673"	677.45156	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"637058"	993.69176	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1141658"	361.21136	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"181668"	339.229418	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"619403"	497.349518	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1121817"	181.109318	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1403519"	121.075304	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1436363"	363.252946	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"226787"	344.26244	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1512661"	377.30499	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"413805"	347.216388	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"772248"	505.336488	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1669317"	189.096288	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"253282"	696.496168	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1228908"	380.255968	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1714517"	380.279493	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1182059"	128.402618	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1653774"	385.234888	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"161729"	709.39944	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"608218"	1025.63964	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1093822"	393.15924	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"151732"	355.203358	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"589105"	513.323458	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1073618"	197.083258	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1109015"	395.173792	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1348681"	395.261407	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1011743"	399.300576	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1532055"	400.294208	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"996319"	200.153926	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1594103"	401.208828	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1418668"	431.240338	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1147071"	220.667201	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1698144"	448.266885	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1634648"	453.22228	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1574194"	469.19622	"C03681"	"5alpha-Pregnane-320-dione;5alpha-Dihydroprogesterone"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"802375"	187.0845	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M"	0
"976270"	168.06611	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-H2O-H"	-19.01839
"66337"	123.715724	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M-3H"	-3.021828
"513553"	186.077224	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M-3H"	-3.021828
"888075"	61.354224	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-3H"	-3.021828
"8837"	186.077224	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M-2H"	-2.014552
"450585"	279.619474	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M-2H"	-2.014552
"826201"	92.534974	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-2H"	-2.014552
"82912"	373.161724	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M-H"	-1.007276
"530127"	560.246224	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M-H"	-1.007276
"906839"	186.077224	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-H"	-1.007276
"60122"	390.188271	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M-2H+NH4"	16.019271
"502357"	577.272771	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M-2H+NH4"	16.019271
"877360"	203.103771	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-2H+NH4"	16.019271
"43195"	395.143666	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M-2H+Na"	20.974666
"485429"	582.228166	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M-2H+Na"	20.974666
"862746"	208.059166	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-2H+Na"	20.974666
"1632275"	208.059166	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Na-2H"	20.974666
"103337"	204.065563	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M-H+Cl"	33.962126
"542898"	297.607813	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M-H+Cl"	33.962126
"930216"	110.523313	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-H+Cl"	33.962126
"269140"	409.138402	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+Cl"	34.969402
"661923"	596.222902	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+Cl"	34.969402
"1276515"	222.053902	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Cl"	34.969402
"17614"	411.117606	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M-2H+K"	36.948606
"456284"	598.202106	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M-2H+K"	36.948606
"834003"	224.033106	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-2H+K"	36.948606
"1556072"	224.033106	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+K-2H"	36.948606
"943436"	232.082694	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-H+HCOOH"	44.998194
"364205"	419.167201	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+HCOOH-H"	44.998201
"346993"	433.182851	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+Hac-H"	59.013851
"1494369"	246.098351	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Hac-H"	59.013851
"961912"	254.064651	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-H+NaCOOH"	66.980151
"112641"	222.053902	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+2Cl"	69.938804
"554753"	315.596152	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+2Cl"	69.938804
"1022454"	128.511652	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2Cl"	69.938804
"1247504"	266.003385	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Br"	78.918885
"1304886"	268.059372	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Cl+HCOOH"	80.974872
"1321248"	290.041329	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Cl+NaCOOH"	102.956829
"911458"	300.070086	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M-H+CF3COOH"	112.985586
"1294128"	336.046764	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Cl+CF3COOH"	148.962264
"1370102"	152.071824	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H-2H2O"	-35.012676
"1387599"	170.0818	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H-H2O"	-17.0027
"287286"	375.176276	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+H"	1.007276
"682987"	562.260776	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+H"	1.007276
"1352774"	188.091776	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H"	1.007276
"128942"	188.091776	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+2H"	2.014552
"565824"	281.634026	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+2H"	2.014552
"1037292"	94.549526	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2H"	2.014552
"204747"	125.730276	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+3H"	3.021828
"644628"	188.091776	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+3H"	3.021828
"1163249"	63.368776	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+3H"	3.021828
"424571"	392.202823	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+NH4"	18.033823
"786296"	579.287323	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+NH4"	18.033823
"1687865"	205.118323	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+NH4"	18.033823
"340521"	196.6050495	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+H+NH4"	19.041099
"735495"	290.1472995	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+H+NH4"	19.041099
"1486765"	103.0627995	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H+NH4"	19.041099
"403256"	397.158218	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+Na"	22.989218
"765348"	584.242718	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+Na"	22.989218
"1615271"	210.073718	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Na"	22.989218
"327860"	199.082747	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+H+Na"	23.996494
"713721"	292.624997	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+H+Na"	23.996494
"1473010"	105.540497	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H+Na"	23.996494
"1065163"	70.69609	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2H+Na"	25.00377
"1266845"	220.117986	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+CH3OH+H"	33.033486
"386511"	413.132158	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+K"	38.963158
"747506"	600.216658	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+K"	38.963158
"1550654"	226.047658	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+K"	38.963158
"307831"	207.069717	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+H+K"	39.970434
"695880"	300.611967	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+H+K"	39.970434
"1459541"	113.527467	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H+K"	39.970434
"244863"	416.202826	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+ACN+H"	42.033826
"1219758"	229.118326	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+ACN+H"	42.033826
"1204736"	115.062801	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+ACN+2H"	43.041102
"197606"	419.14016	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+2Na-H"	44.97116
"636076"	606.22466	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+2Na-H"	44.97116
"1138484"	232.05566	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2Na-H"	44.97116
"181778"	210.073718	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+2Na"	45.978436
"615139"	303.615968	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+2Na"	45.978436
"1121564"	116.531468	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2Na"	45.978436
"1403996"	78.023404	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H+2Na"	46.985712
"1434286"	234.097246	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H+HCOOH"	47.012746
"225074"	215.10674	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+3H2O+2H"	56.04448
"1512770"	248.14929	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+IsoProp+H"	61.06479
"413551"	218.060688	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+Na+K"	61.952376
"771264"	311.602938	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+Na+K"	61.952376
"1669063"	124.518438	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Na+K"	61.952376
"252663"	438.184768	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+ACN+Na"	64.015768
"1229384"	251.100268	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+ACN+Na"	64.015768
"1717179"	251.123793	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+NH4+HCOOH"	64.039293
"1184358"	85.350718	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+3Na"	68.967654
"1652791"	256.079188	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Na+HCOOH"	68.994688
"159652"	451.08804	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+2K-H"	76.91904
"607963"	638.17254	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+2K-H"	76.91904
"1093932"	264.00354	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2K-H"	76.91904
"151842"	226.047658	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"2M+2K"	77.926316
"589215"	319.589908	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"3M+2K"	77.926316
"1073728"	132.505408	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2K"	77.926316
"1109125"	266.018092	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2K+H"	78.933592
"1347698"	266.105707	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+DMSO+H"	79.021207
"1010759"	270.144876	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2ACN+H"	83.060376
"1531071"	271.138508	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+IsoProp+Na+H"	84.054008
"998613"	135.576076	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+2ACN+2H"	84.067652
"1595306"	272.053128	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+K+HCOOH"	84.968628
"1416589"	302.084638	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+H+CF3COOH"	115.000138
"1147971"	156.089351	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+3ACN+2H"	125.094202
"1698618"	319.111185	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+NH4+CF3COOH"	132.026685
"1634312"	324.06658	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+Na+CF3COOH"	136.98208
"1572481"	340.04052	"C03682"	"6-Acetamido-3-oxohexanoate"	"C8H13NO4"	"187.0845"	"M+K+CF3COOH"	152.95602
"801712"	310.0477	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M"	0
"975287"	291.02931	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-H2O-H"	-19.01839
"67541"	205.691190666667	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M-3H"	-3.021828
"512570"	309.040424	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M-3H"	-3.021828
"890372"	102.341957333333	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-3H"	-3.021828
"7854"	309.040424	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M-2H"	-2.014552
"448508"	464.064274	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M-2H"	-2.014552
"825218"	154.016574	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-2H"	-2.014552
"84115"	619.088124	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M-H"	-1.007276
"529144"	929.135824	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M-H"	-1.007276
"905856"	309.040424	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-H"	-1.007276
"60110"	636.114671	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M-2H+NH4"	16.019271
"500886"	946.162371	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M-2H+NH4"	16.019271
"875406"	326.066971	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-2H+NH4"	16.019271
"45008"	641.070066	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M-2H+Na"	20.974666
"486270"	951.117766	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M-2H+Na"	20.974666
"861759"	331.022366	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-2H+Na"	20.974666
"1626918"	331.022366	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Na-2H"	20.974666
"103447"	327.028763	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M-H+Cl"	33.962126
"538999"	482.052613	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M-H+Cl"	33.962126
"927268"	172.004913	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-H+Cl"	33.962126
"268886"	655.064802	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+Cl"	34.969402
"663131"	965.112502	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+Cl"	34.969402
"1276625"	345.017102	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Cl"	34.969402
"16995"	657.044006	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M-2H+K"	36.948606
"455990"	967.091706	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M-2H+K"	36.948606
"833994"	346.996306	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-2H+K"	36.948606
"1556065"	346.996306	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+K-2H"	36.948606
"942976"	355.045894	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-H+HCOOH"	44.998194
"363222"	665.093601	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+HCOOH-H"	44.998201
"348928"	679.109251	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+Hac-H"	59.013851
"1495574"	369.061551	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Hac-H"	59.013851
"964209"	377.027851	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-H+NaCOOH"	66.980151
"115304"	345.017102	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+2Cl"	69.938804
"558144"	500.040952	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+2Cl"	69.938804
"1022199"	189.993252	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2Cl"	69.938804
"1246521"	388.966585	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Br"	78.918885
"1304709"	391.022572	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Cl+HCOOH"	80.974872
"1320264"	413.004529	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Cl+NaCOOH"	102.956829
"914250"	423.033286	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M-H+CF3COOH"	112.985586
"1288565"	459.009964	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Cl+CF3COOH"	148.962264
"1370213"	275.035024	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H-2H2O"	-35.012676
"1383336"	293.045	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H-H2O"	-17.0027
"286304"	621.102676	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+H"	1.007276
"677631"	931.150376	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+H"	1.007276
"1352071"	311.054976	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H"	1.007276
"127959"	311.054976	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+2H"	2.014552
"565932"	466.078826	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+2H"	2.014552
"1037279"	156.031126	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2H"	2.014552
"204697"	207.705742666667	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+3H"	3.021828
"644750"	311.054976	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+3H"	3.021828
"1164335"	104.356509333333	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+3H"	3.021828
"425044"	638.129223	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+NH4"	18.033823
"785959"	948.176923	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+NH4"	18.033823
"1686153"	328.081523	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+NH4"	18.033823
"341725"	319.5682495	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+H+NH4"	19.041099
"734876"	474.5920995	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+H+NH4"	19.041099
"1490154"	164.5443995	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H+NH4"	19.041099
"405922"	643.084618	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+Na"	22.989218
"765457"	953.132318	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+Na"	22.989218
"1615381"	333.036918	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Na"	22.989218
"321408"	322.045947	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+H+Na"	23.996494
"712736"	477.069797	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+H+Na"	23.996494
"1469840"	167.022097	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H+Na"	23.996494
"1064179"	111.683823333333	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2H+Na"	25.00377
"1266953"	343.081186	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+CH3OH+H"	33.033486
"385528"	659.058558	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+K"	38.963158
"747617"	969.106258	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+K"	38.963158
"1548576"	349.010858	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+K"	38.963158
"310128"	330.032917	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+H+K"	39.970434
"699269"	485.056767	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+H+K"	39.970434
"1459530"	175.009067	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H+K"	39.970434
"247160"	662.129226	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+ACN+H"	42.033826
"1218774"	352.081526	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+ACN+H"	42.033826
"1197918"	176.544401	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+ACN+2H"	43.041102
"197716"	665.06656	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+2Na-H"	44.97116
"639100"	975.11426	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+2Na-H"	44.97116
"1137866"	355.01886	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2Na-H"	44.97116
"181887"	333.036918	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+2Na"	45.978436
"614520"	488.060768	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+2Na"	45.978436
"1119849"	178.013068	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2Na"	45.978436
"1403012"	119.011137333333	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H+2Na"	46.985712
"1433666"	357.060446	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H+HCOOH"	47.012746
"225547"	338.06994	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+3H2O+2H"	56.04448
"1512516"	371.11249	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+IsoProp+H"	61.06479
"412931"	341.023888	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+Na+K"	61.952376
"773197"	496.047738	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+Na+K"	61.952376
"1666256"	186.000038	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Na+K"	61.952376
"252040"	684.111168	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+ACN+Na"	64.015768
"1228401"	374.063468	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+ACN+Na"	64.015768
"1719476"	374.086993	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+NH4+HCOOH"	64.039293
"1182280"	126.338451333333	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+3Na"	68.967654
"1651808"	379.042388	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Na+HCOOH"	68.994688
"162678"	697.01444	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+2K-H"	76.91904
"602971"	1007.06214	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+2K-H"	76.91904
"1091856"	386.96674	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2K-H"	76.91904
"145392"	349.010858	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"2M+2K"	77.926316
"581584"	504.034708	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"3M+2K"	77.926316
"1070558"	193.987008	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2K"	77.926316
"1105955"	388.981292	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2K+H"	78.933592
"1345620"	389.068907	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+DMSO+H"	79.021207
"1008683"	393.108076	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2ACN+H"	83.060376
"1531181"	394.101708	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+IsoProp+Na+H"	84.054008
"995443"	197.057676	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+2ACN+2H"	84.067652
"1595416"	395.016328	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+K+HCOOH"	84.968628
"1414997"	425.047838	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+H+CF3COOH"	115.000138
"1147349"	217.570951	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+3ACN+2H"	125.094202
"1697998"	442.074385	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+NH4+CF3COOH"	132.026685
"1634788"	447.02978	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+Na+CF3COOH"	136.98208
"1572591"	463.00372	"C03683"	"6-Demethylsterigmatocystin"	"C17H10O6"	"310.0477"	"M+K+CF3COOH"	152.95602
"806968"	237.0862	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M"	0
"980499"	218.06781	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-H2O-H"	-19.01839
"74211"	157.050190666667	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M-3H"	-3.021828
"514866"	236.078924	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M-3H"	-3.021828
"893761"	78.0214573333333	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-3H"	-3.021828
"14522"	236.078924	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M-2H"	-2.014552
"450802"	354.622024	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M-2H"	-2.014552
"828605"	117.535824	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-2H"	-2.014552
"87503"	473.165124	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M-H"	-1.007276
"528160"	710.251324	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M-H"	-1.007276
"905964"	236.078924	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-H"	-1.007276
"59245"	490.191671	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M-2H+NH4"	16.019271
"501725"	727.277871	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M-2H+NH4"	16.019271
"878673"	253.105471	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-2H+NH4"	16.019271
"46332"	495.147066	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M-2H+Na"	20.974666
"484068"	732.233266	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M-2H+Na"	20.974666
"861869"	258.060866	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-2H+Na"	20.974666
"1625935"	258.060866	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Na-2H"	20.974666
"103557"	254.067263	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M-H+Cl"	33.962126
"538745"	372.610363	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M-H+Cl"	33.962126
"927548"	135.524163	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-H+Cl"	33.962126
"273008"	509.141802	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+Cl"	34.969402
"665429"	746.228002	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+Cl"	34.969402
"1275647"	272.055602	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Cl"	34.969402
"17837"	511.121006	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M-2H+K"	36.948606
"458494"	748.207206	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M-2H+K"	36.948606
"833176"	274.034806	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-2H+K"	36.948606
"1556137"	274.034806	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+K-2H"	36.948606
"945115"	282.084394	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-H+HCOOH"	44.998194
"364062"	519.170601	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+HCOOH-H"	44.998201
"352319"	533.186251	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+Hac-H"	59.013851
"1498965"	296.100051	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Hac-H"	59.013851
"965412"	304.066351	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-H+NaCOOH"	66.980151
"114321"	272.055602	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+2Cl"	69.938804
"553879"	390.598702	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+2Cl"	69.938804
"1024136"	153.512502	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2Cl"	69.938804
"1246631"	316.005085	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Br"	78.918885
"1304458"	318.061072	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Cl+HCOOH"	80.974872
"1321469"	340.043029	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Cl+NaCOOH"	102.956829
"915453"	350.071786	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M-H+CF3COOH"	112.985586
"1288999"	386.048464	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Cl+CF3COOH"	148.962264
"1368136"	202.073524	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H-2H2O"	-35.012676
"1388913"	220.0835	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H-H2O"	-17.0027
"289694"	475.179676	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+H"	1.007276
"677741"	712.265876	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+H"	1.007276
"1352261"	238.093476	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H"	1.007276
"128069"	238.093476	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+2H"	2.014552
"566286"	356.636576	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+2H"	2.014552
"1037393"	119.550376	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2H"	2.014552
"204443"	159.064742666667	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+3H"	3.021828
"647535"	238.093476	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+3H"	3.021828
"1164204"	80.0360093333333	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+3H"	3.021828
"424305"	492.206223	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+NH4"	18.033823
"785673"	729.292423	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+NH4"	18.033823
"1685170"	255.120023	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+NH4"	18.033823
"342928"	246.6067495	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+H+NH4"	19.041099
"735351"	365.1498495	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+H+NH4"	19.041099
"1489171"	128.0636495	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H+NH4"	19.041099
"403481"	497.161618	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+Na"	22.989218
"764472"	734.247818	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+Na"	22.989218
"1608201"	260.075418	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Na"	22.989218
"319332"	249.084447	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+H+Na"	23.996494
"711024"	367.627547	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+H+Na"	23.996494
"1472136"	130.541347	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H+Na"	23.996494
"1065382"	87.3633233333333	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2H+Na"	25.00377
"1267061"	270.119686	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+CH3OH+H"	33.033486
"386729"	513.135558	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+K"	38.963158
"745540"	750.221758	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+K"	38.963158
"1546499"	276.049358	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+K"	38.963158
"303676"	257.071417	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+H+K"	39.970434
"695005"	375.614517	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+H+K"	39.970434
"1457574"	138.528317	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H+K"	39.970434
"245085"	516.206226	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+ACN+H"	42.033826
"1217790"	279.120026	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+ACN+H"	42.033826
"1198027"	140.063651	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+ACN+2H"	43.041102
"195639"	519.14356	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+2Na-H"	44.97116
"638481"	756.22976	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+2Na-H"	44.97116
"1139799"	282.05736	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2Na-H"	44.97116
"179807"	260.075418	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+2Na"	45.978436
"618275"	378.618518	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+2Na"	45.978436
"1118866"	141.532318	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2Na"	45.978436
"1401297"	94.6906373333333	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H+2Na"	46.985712
"1433412"	284.098946	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H+HCOOH"	47.012746
"222377"	265.10844	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+3H2O+2H"	56.04448
"1508610"	298.15099	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+IsoProp+H"	61.06479
"410855"	268.062388	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+Na+K"	61.952376
"770022"	386.605488	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+Na+K"	61.952376
"1668189"	149.519288	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Na+K"	61.952376
"251911"	538.188168	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+ACN+Na"	64.015768
"1227780"	301.101968	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+ACN+Na"	64.015768
"1712844"	301.125493	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+NH4+HCOOH"	64.039293
"1181296"	102.017951333333	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+3Na"	68.967654
"1651918"	306.080888	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Na+HCOOH"	68.994688
"159872"	551.09144	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+2K-H"	76.91904
"602351"	788.17764	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+2K-H"	76.91904
"1085767"	314.00524	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2K-H"	76.91904
"148782"	276.049358	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"2M+2K"	77.926316
"581492"	394.592458	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"3M+2K"	77.926316
"1069939"	157.506258	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2K"	77.926316
"1106065"	316.019792	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2K+H"	78.933592
"1342450"	316.107407	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+DMSO+H"	79.021207
"1009886"	320.146576	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2ACN+H"	83.060376
"1528011"	321.140208	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+IsoProp+Na+H"	84.054008
"993366"	160.576926	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+2ACN+2H"	84.067652
"1595526"	322.054828	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+K+HCOOH"	84.968628
"1415715"	352.086338	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+H+CF3COOH"	115.000138
"1147500"	181.090201	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+3ACN+2H"	125.094202
"1697620"	369.112885	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+NH4+CF3COOH"	132.026685
"1635954"	374.06828	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+Na+CF3COOH"	136.98208
"1573430"	390.04222	"C03684"	"6-Pyruvoyltetrahydropterin;6-(12-Dioxopropyl)-5678-tetrahydropterin;6-Pyruvoyl-5678-tetrahydropterin"	"C9H11N5O3"	"237.0862"	"M+K+CF3COOH"	152.95602
"801733"	921.2146	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M"	0
"978423"	902.19621	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-H2O-H"	-19.01839
"68854"	613.135790666667	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M-3H"	-3.021828
"510603"	920.207324	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M-3H"	-3.021828
"891685"	306.064257333333	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-3H"	-3.021828
"9167"	920.207324	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M-2H"	-2.014552
"445446"	1380.814624	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M-2H"	-2.014552
"826529"	459.600024	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-2H"	-2.014552
"86522"	1841.421924	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M-H"	-1.007276
"528270"	2762.636524	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M-H"	-1.007276
"907167"	920.207324	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-H"	-1.007276
"59354"	1858.448471	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M-2H+NH4"	16.019271
"500984"	2779.663071	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M-2H+NH4"	16.019271
"877811"	937.233871	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-2H+NH4"	16.019271
"45712"	1863.403866	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M-2H+Na"	20.974666
"484178"	2784.618466	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M-2H+Na"	20.974666
"861979"	942.189266	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-2H+Na"	20.974666
"1626045"	942.189266	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Na-2H"	20.974666
"103667"	938.195663	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M-H+Cl"	33.962126
"536667"	1398.802963	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M-H+Cl"	33.962126
"927858"	477.588363	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-H+Cl"	33.962126
"274211"	1877.398602	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+Cl"	34.969402
"663352"	2798.613202	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+Cl"	34.969402
"1276119"	956.184002	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Cl"	34.969402
"17947"	1879.377806	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M-2H+K"	36.948606
"457144"	2800.592406	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M-2H+K"	36.948606
"833853"	958.163206	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-2H+K"	36.948606
"1556122"	958.163206	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+K-2H"	36.948606
"943768"	966.212794	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-H+HCOOH"	44.998194
"365265"	1887.427401	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+HCOOH-H"	44.998201
"349149"	1901.443051	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+Hac-H"	59.013851
"1499075"	980.228451	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Hac-H"	59.013851
"967709"	988.194751	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-H+NaCOOH"	66.980151
"116617"	956.184002	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+2Cl"	69.938804
"556174"	1416.791302	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+2Cl"	69.938804
"1022788"	495.576702	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2Cl"	69.938804
"1246739"	1000.133485	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Br"	78.918885
"1305049"	1002.189472	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Cl+HCOOH"	80.974872
"1320491"	1024.171429	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Cl+NaCOOH"	102.956829
"915563"	1034.200186	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M-H+CF3COOH"	112.985586
"1289229"	1070.176864	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Cl+CF3COOH"	148.962264
"1368246"	886.201924	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H-2H2O"	-35.012676
"1389023"	904.2119	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H-H2O"	-17.0027
"289804"	1843.436476	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+H"	1.007276
"677851"	2764.651076	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+H"	1.007276
"1353102"	922.221876	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H"	1.007276
"128179"	922.221876	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+2H"	2.014552
"566396"	1382.829176	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+2H"	2.014552
"1037317"	461.614576	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2H"	2.014552
"204804"	615.150342666667	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+3H"	3.021828
"649468"	922.221876	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+3H"	3.021828
"1164314"	308.078809333333	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+3H"	3.021828
"427585"	1860.463023	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+NH4"	18.033823
"786265"	2781.677623	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+NH4"	18.033823
"1684913"	939.248423	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+NH4"	18.033823
"341945"	930.7351495	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+H+NH4"	19.041099
"729992"	1391.3424495	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+H+NH4"	19.041099
"1487093"	470.1278495	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H+NH4"	19.041099
"402497"	1865.418418	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+Na"	22.989218
"761302"	2786.633018	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+Na"	22.989218
"1607214"	944.203818	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Na"	22.989218
"320535"	933.212847	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+H+Na"	23.996494
"710770"	1393.820147	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+H+Na"	23.996494
"1473340"	472.605547	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H+Na"	23.996494
"1067315"	315.406123333333	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2H+Na"	25.00377
"1268265"	954.248086	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+CH3OH+H"	33.033486
"384654"	1881.392358	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+K"	38.963158
"747836"	2802.606958	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+K"	38.963158
"1544421"	960.177758	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+K"	38.963158
"305973"	941.199817	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+H+K"	39.970434
"698395"	1401.807117	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+H+K"	39.970434
"1454403"	480.592517	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H+K"	39.970434
"245192"	1884.463026	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+ACN+H"	42.033826
"1217900"	963.248426	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+ACN+H"	42.033826
"1197773"	482.127851	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+ACN+2H"	43.041102
"195749"	1887.40036	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+2Na-H"	44.97116
"637495"	2808.61496	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+2Na-H"	44.97116
"1136993"	966.18576	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2Na-H"	44.97116
"180646"	944.203818	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+2Na"	45.978436
"615104"	1404.811118	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+2Na"	45.978436
"1119342"	483.596518	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2Na"	45.978436
"1399945"	322.733437333333	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H+2Na"	46.985712
"1433157"	968.227346	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H+HCOOH"	47.012746
"223215"	949.23684	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+3H2O+2H"	56.04448
"1509575"	982.27939	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+IsoProp+H"	61.06479
"411329"	952.190788	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+Na+K"	61.952376
"771230"	1412.798088	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+Na+K"	61.952376
"1668663"	491.583488	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Na+K"	61.952376
"252630"	1906.444968	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+ACN+Na"	64.015768
"1227526"	985.230368	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+ACN+Na"	64.015768
"1713499"	985.253893	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+NH4+HCOOH"	64.039293
"1179947"	330.060751333333	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+3Na"	68.967654
"1652028"	990.209288	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Na+HCOOH"	68.994688
"157916"	1919.34824	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+2K-H"	76.91904
"601732"	2840.56284	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+2K-H"	76.91904
"1085149"	998.13364	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2K-H"	76.91904
"145612"	960.177758	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"2M+2K"	77.926316
"581453"	1420.785058	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"3M+2K"	77.926316
"1069684"	499.570458	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2K"	77.926316
"1102895"	1000.148192	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2K+H"	78.933592
"1341467"	1000.235807	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+DMSO+H"	79.021207
"1011089"	1004.274976	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2ACN+H"	83.060376
"1532495"	1005.268608	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+IsoProp+Na+H"	84.054008
"996757"	502.641126	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+2ACN+2H"	84.067652
"1595636"	1006.183228	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+K+HCOOH"	84.968628
"1415826"	1036.214738	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+H+CF3COOH"	115.000138
"1148304"	523.154401	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+3ACN+2H"	125.094202
"1698219"	1053.241285	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+NH4+CF3COOH"	132.026685
"1637157"	1058.19668	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+Na+CF3COOH"	136.98208
"1574634"	1074.17062	"C03685"	"7-Methyl-3-oxooctanoyl-CoA"	"C30H50N7O18P3S"	"921.2146"	"M+K+CF3COOH"	152.95602
"802815"	338.079	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M"	0
"976710"	319.06061	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-H2O-H"	-19.01839
"66777"	224.378724	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M-3H"	-3.021828
"512899"	337.071724	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M-3H"	-3.021828
"890702"	111.685724	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-3H"	-3.021828
"10370"	337.071724	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M-2H"	-2.014552
"445555"	506.111224	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M-2H"	-2.014552
"823357"	168.032224	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-2H"	-2.014552
"88818"	675.150724	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M-H"	-1.007276
"528379"	1013.229724	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M-H"	-1.007276
"900712"	337.071724	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-H"	-1.007276
"51809"	692.177271	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M-2H+NH4"	16.019271
"494650"	1030.256271	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M-2H+NH4"	16.019271
"871357"	354.098271	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-2H+NH4"	16.019271
"45703"	697.132666	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M-2H+Na"	20.974666
"484288"	1035.211666	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M-2H+Na"	20.974666
"858808"	359.053666	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-2H+Na"	20.974666
"1626155"	359.053666	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Na-2H"	20.974666
"100497"	355.060063	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M-H+Cl"	33.962126
"535806"	524.099563	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M-H+Cl"	33.962126
"927365"	186.020563	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-H+Cl"	33.962126
"275414"	711.127402	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+Cl"	34.969402
"666741"	1049.206402	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+Cl"	34.969402
"1275498"	373.048402	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Cl"	34.969402
"17207"	713.106606	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M-2H+K"	36.948606
"457984"	1051.185606	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M-2H+K"	36.948606
"833963"	375.027606	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-2H+K"	36.948606
"1558182"	375.027606	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+K-2H"	36.948606
"944970"	383.077194	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-H+HCOOH"	44.998194
"366468"	721.156201	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+HCOOH-H"	44.998201
"349258"	735.171851	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+Hac-H"	59.013851
"1496998"	397.092851	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Hac-H"	59.013851
"964539"	405.059151	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-H+NaCOOH"	66.980151
"115633"	373.048402	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+2Cl"	69.938804
"554097"	542.087902	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+2Cl"	69.938804
"1023019"	204.008902	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2Cl"	69.938804
"1244661"	416.997885	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Br"	78.918885
"1304355"	419.053872	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Cl+HCOOH"	80.974872
"1320594"	441.035829	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Cl+NaCOOH"	102.956829
"915673"	451.064586	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M-H+CF3COOH"	112.985586
"1289056"	487.041264	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Cl+CF3COOH"	148.962264
"1372730"	303.066324	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H-2H2O"	-35.012676
"1389133"	321.0763	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H-H2O"	-17.0027
"286634"	677.165276	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+H"	1.007276
"677961"	1015.244276	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+H"	1.007276
"1354307"	339.086276	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H"	1.007276
"126583"	339.086276	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+2H"	2.014552
"565935"	508.125776	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+2H"	2.014552
"1037331"	170.046776	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2H"	2.014552
"205643"	226.393276	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+3H"	3.021828
"649578"	339.086276	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+3H"	3.021828
"1164424"	113.700276	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+3H"	3.021828
"428789"	694.191823	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+NH4"	18.033823
"785726"	1032.270823	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+NH4"	18.033823
"1687210"	356.112823	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+NH4"	18.033823
"342055"	347.5995495	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+H+NH4"	19.041099
"730102"	516.6390495	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+H+NH4"	19.041099
"1487203"	178.5600495	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H+NH4"	19.041099
"402604"	699.147218	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+Na"	22.989218
"761412"	1037.226218	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+Na"	22.989218
"1607322"	361.068218	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Na"	22.989218
"319548"	350.077247	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+H+Na"	23.996494
"709786"	519.116747	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+H+Na"	23.996494
"1463969"	181.037747	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H+Na"	23.996494
"1060135"	121.02759	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2H+Na"	25.00377
"1266917"	371.112486	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+CH3OH+H"	33.033486
"385857"	715.121158	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+K"	38.963158
"746853"	1053.200158	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+K"	38.963158
"1546718"	377.042158	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+K"	38.963158
"304987"	358.064217	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+H+K"	39.970434
"697407"	527.103717	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+H+K"	39.970434
"1454513"	189.024717	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H+K"	39.970434
"242021"	718.191826	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+ACN+H"	42.033826
"1216917"	380.112826	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+ACN+H"	42.033826
"1198613"	190.560051	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+ACN+2H"	43.041102
"191484"	721.12916	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+2Na-H"	44.97116
"637605"	1059.20816	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+2Na-H"	44.97116
"1137832"	383.05016	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2Na-H"	44.97116
"180028"	361.068218	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+2Na"	45.978436
"614484"	530.107718	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+2Na"	45.978436
"1120911"	192.028718	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2Na"	45.978436
"1399691"	128.354904	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H+2Na"	46.985712
"1433267"	385.091746	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H+HCOOH"	47.012746
"222597"	366.10124	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+3H2O+2H"	56.04448
"1509076"	399.14379	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+IsoProp+H"	61.06479
"413991"	369.055188	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+Na+K"	61.952376
"773163"	538.094688	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+Na+K"	61.952376
"1668408"	200.015688	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Na+K"	61.952376
"253469"	740.173768	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+ACN+Na"	64.015768
"1227636"	402.094768	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+ACN+Na"	64.015768
"1713609"	402.118293	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+NH4+HCOOH"	64.039293
"1179692"	135.682218	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+3Na"	68.967654
"1653231"	407.073688	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Na+HCOOH"	68.994688
"158389"	753.07704	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+2K-H"	76.91904
"601478"	1091.15604	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+2K-H"	76.91904
"1085259"	414.99804	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2K-H"	76.91904
"143048"	377.042158	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"2M+2K"	77.926316
"582116"	546.081658	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"3M+2K"	77.926316
"1069182"	208.002658	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2K"	77.926316
"1100814"	417.012592	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2K+H"	78.933592
"1339390"	417.100207	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+DMSO+H"	79.021207
"1009012"	421.139376	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2ACN+H"	83.060376
"1528231"	422.133008	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+IsoProp+Na+H"	84.054008
"995773"	211.073326	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+2ACN+2H"	84.067652
"1593559"	423.047628	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+K+HCOOH"	84.968628
"1415206"	453.079138	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+H+CF3COOH"	115.000138
"1148049"	231.586601	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+3ACN+2H"	125.094202
"1698085"	470.105685	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+NH4+CF3COOH"	132.026685
"1636174"	475.06108	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+Na+CF3COOH"	136.98208
"1574744"	491.03502	"C03686"	"O-Methylsterigmatocystin;8-O-Methylsterigmatocystin"	"C19H14O6"	"338.079"	"M+K+CF3COOH"	152.95602
"802561"	390.277	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M"	0
"985208"	371.25861	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-H2O-H"	-19.01839
"71263"	259.177390666667	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M-3H"	-3.021828
"510824"	389.269724	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M-3H"	-3.021828
"891905"	129.085057333333	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-3H"	-3.021828
"12666"	389.269724	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M-2H"	-2.014552
"444572"	584.408224	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M-2H"	-2.014552
"823466"	194.131224	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-2H"	-2.014552
"85651"	779.546724	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M-H"	-1.007276
"525211"	1169.823724	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M-H"	-1.007276
"903013"	389.269724	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-H"	-1.007276
"55201"	796.573271	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M-2H+NH4"	16.019271
"490386"	1186.850271	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M-2H+NH4"	16.019271
"873655"	406.296271	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-2H+NH4"	16.019271
"33901"	801.528666	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M-2H+Na"	20.974666
"481117"	1191.805666	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M-2H+Na"	20.974666
"851265"	411.251666	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-2H+Na"	20.974666
"1619824"	411.251666	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Na-2H"	20.974666
"94688"	407.258063	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M-H+Cl"	33.962126
"540177"	602.396563	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M-H+Cl"	33.962126
"931505"	212.119563	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-H+Cl"	33.962126
"268599"	815.523402	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+Cl"	34.969402
"661386"	1205.800402	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+Cl"	34.969402
"1274519"	425.246402	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Cl"	34.969402
"19993"	817.502606	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M-2H+K"	36.948606
"458094"	1207.779606	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M-2H+K"	36.948606
"833827"	427.225606	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-2H+K"	36.948606
"1560479"	427.225606	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+K-2H"	36.948606
"943624"	435.275194	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-H+HCOOH"	44.998194
"361833"	825.552201	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+HCOOH-H"	44.998201
"349366"	839.567851	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+Hac-H"	59.013851
"1498200"	449.290851	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Hac-H"	59.013851
"966833"	457.257151	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-H+NaCOOH"	66.980151
"113553"	425.246402	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+2Cl"	69.938804
"554208"	620.384902	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+2Cl"	69.938804
"1027388"	230.107902	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2Cl"	69.938804
"1243686"	469.195885	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Br"	78.918885
"1306498"	471.251872	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Cl+HCOOH"	80.974872
"1321809"	493.233829	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Cl+NaCOOH"	102.956829
"912256"	503.262586	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M-H+CF3COOH"	112.985586
"1291396"	539.239264	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Cl+CF3COOH"	148.962264
"1372839"	355.264324	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H-2H2O"	-35.012676
"1389242"	373.2743	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H-H2O"	-17.0027
"283949"	781.561276	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+H"	1.007276
"681350"	1171.838276	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+H"	1.007276
"1353686"	391.284276	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H"	1.007276
"125965"	391.284276	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+2H"	2.014552
"566613"	586.422776	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+2H"	2.014552
"1037606"	196.145776	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2H"	2.014552
"207940"	261.191942666667	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+3H"	3.021828
"647501"	391.284276	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+3H"	3.021828
"1163925"	131.099609333333	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+3H"	3.021828
"424888"	798.587823	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+NH4"	18.033823
"785801"	1188.864823	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+NH4"	18.033823
"1686228"	408.310823	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+NH4"	18.033823
"336698"	399.7975495	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+H+NH4"	19.041099
"726933"	594.9360495	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+H+NH4"	19.041099
"1486221"	204.6590495	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H+NH4"	19.041099
"396158"	803.543218	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+Na"	22.989218
"759337"	1193.820218	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+Na"	22.989218
"1604400"	413.266218	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Na"	22.989218
"317474"	402.275247	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+H+Na"	23.996494
"710992"	597.413747	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+H+Na"	23.996494
"1470280"	207.136747	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H+Na"	23.996494
"1062432"	138.426923333333	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2H+Na"	25.00377
"1267027"	423.310486	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+CH3OH+H"	33.033486
"385965"	819.517158	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+K"	38.963158
"744776"	1209.794158	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+K"	38.963158
"1546830"	429.240158	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+K"	38.963158
"302909"	410.262217	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+H+K"	39.970434
"697523"	605.400717	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+H+K"	39.970434
"1454623"	215.123717	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H+K"	39.970434
"237027"	822.587826	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+ACN+H"	42.033826
"1210218"	432.310826	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+ACN+H"	42.033826
"1195197"	216.659051	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+ACN+2H"	43.041102
"193782"	825.52516	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+2Na-H"	44.97116
"634436"	1215.80216	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+2Na-H"	44.97116
"1137941"	435.24816	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2Na-H"	44.97116
"179044"	413.266218	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+2Na"	45.978436
"620794"	608.404718	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+2Na"	45.978436
"1125391"	218.127718	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2Na"	45.978436
"1406728"	145.754237333333	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H+2Na"	46.985712
"1438843"	437.289746	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H+HCOOH"	47.012746
"222340"	418.29924	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+3H2O+2H"	56.04448
"1511132"	451.34179	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+IsoProp+H"	61.06479
"408752"	421.253188	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+Na+K"	61.952376
"770724"	616.391688	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+Na+K"	61.952376
"1667059"	226.114688	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Na+K"	61.952376
"254675"	844.569768	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+ACN+Na"	64.015768
"1228114"	454.292768	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+ACN+Na"	64.015768
"1714811"	454.316293	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+NH4+HCOOH"	64.039293
"1181263"	153.081551333333	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+3Na"	68.967654
"1653341"	459.271688	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Na+HCOOH"	68.994688
"161662"	857.47304	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+2K-H"	76.91904
"600494"	1247.75004	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+2K-H"	76.91904
"1086093"	467.19604	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2K-H"	76.91904
"145831"	429.240158	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"2M+2K"	77.926316
"582351"	624.378658	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"3M+2K"	77.926316
"1074281"	234.101658	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2K"	77.926316
"1100682"	469.210592	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2K+H"	78.933592
"1342779"	469.298207	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+DMSO+H"	79.021207
"1009124"	473.337376	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2ACN+H"	83.060376
"1529436"	474.331008	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+IsoProp+Na+H"	84.054008
"995884"	237.172326	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+2ACN+2H"	84.067652
"1587224"	475.245628	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+K+HCOOH"	84.968628
"1414343"	505.277138	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+H+CF3COOH"	115.000138
"1150717"	257.685601	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+3ACN+2H"	125.094202
"1701364"	522.303685	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+NH4+CF3COOH"	132.026685
"1648685"	527.25908	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+Na+CF3COOH"	136.98208
"1581418"	543.23302	"C03690"	"Bis(2-ethylhexyl)phthalate;Di(2-ethylhexyl)phthalate;Dioctyl phthalate;DEHP"	"C24H38O4"	"390.277"	"M+K+CF3COOH"	152.95602
"801943"	630.1422	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M"	0
"983132"	611.12381	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-H2O-H"	-19.01839
"70280"	419.087524	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M-3H"	-3.021828
"508746"	629.134924	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M-3H"	-3.021828
"887640"	209.040124	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-3H"	-3.021828
"8401"	629.134924	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M-2H"	-2.014552
"447962"	944.206024	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M-2H"	-2.014552
"819202"	314.063824	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-2H"	-2.014552
"86855"	1259.277124	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M-H"	-1.007276
"529695"	1889.419324	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M-H"	-1.007276
"906404"	629.134924	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-H"	-1.007276
"54218"	1276.303671	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M-2H+NH4"	16.019271
"491589"	1906.445871	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M-2H+NH4"	16.019271
"870486"	646.161471	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-2H+NH4"	16.019271
"35105"	1281.259066	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M-2H+Na"	20.974666
"481227"	1911.401266	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M-2H+Na"	20.974666
"852468"	651.116866	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-2H+Na"	20.974666
"1619085"	651.116866	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Na-2H"	20.974666
"94511"	647.123263	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M-H+Cl"	33.962126
"535912"	962.194363	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M-H+Cl"	33.962126
"927181"	332.052163	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-H+Cl"	33.962126
"267288"	1295.253802	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+Cl"	34.969402
"660155"	1925.396002	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+Cl"	34.969402
"1272825"	665.111602	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Cl"	34.969402
"17916"	1297.233006	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M-2H+K"	36.948606
"456380"	1927.375206	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M-2H+K"	36.948606
"834914"	667.090806	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-2H+K"	36.948606
"1560589"	667.090806	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+K-2H"	36.948606
"943491"	675.140394	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-H+HCOOH"	44.998194
"362312"	1305.282601	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+HCOOH-H"	44.998201
"346560"	1319.298251	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+Hac-H"	59.013851
"1500497"	689.156051	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Hac-H"	59.013851
"964756"	697.122351	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-H+NaCOOH"	66.980151
"111476"	665.111602	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+2Cl"	69.938804
"554318"	980.182702	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+2Cl"	69.938804
"1022028"	350.040502	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2Cl"	69.938804
"1244886"	709.061085	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Br"	78.918885
"1306241"	711.117072	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Cl+HCOOH"	80.974872
"1320577"	733.099029	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Cl+NaCOOH"	102.956829
"911514"	743.127786	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M-H+CF3COOH"	112.985586
"1289682"	779.104464	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Cl+CF3COOH"	148.962264
"1369664"	595.129524	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H-2H2O"	-35.012676
"1384001"	613.1395	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H-H2O"	-17.0027
"283816"	1261.291676	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+H"	1.007276
"676315"	1891.433876	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+H"	1.007276
"1351608"	631.149476	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H"	1.007276
"126681"	631.149476	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+2H"	2.014552
"567329"	946.220576	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+2H"	2.014552
"1037388"	316.078376	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2H"	2.014552
"205863"	421.102076	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+3H"	3.021828
"647975"	631.149476	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+3H"	3.021828
"1166830"	211.054676	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+3H"	3.021828
"426821"	1278.318223	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+NH4"	18.033823
"785762"	1908.460423	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+NH4"	18.033823
"1683056"	648.176023	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+NH4"	18.033823
"335711"	639.6627495	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+H+NH4"	19.041099
"725583"	954.7338495	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+H+NH4"	19.041099
"1484145"	324.5916495	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H+NH4"	19.041099
"398454"	1283.273618	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+Na"	22.989218
"756167"	1913.415818	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+Na"	22.989218
"1603899"	653.131418	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Na"	22.989218
"315395"	642.140447	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+H+Na"	23.996494
"707284"	957.211547	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+H+Na"	23.996494
"1462365"	327.069347	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H+Na"	23.996494
"1062543"	218.38199	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2H+Na"	25.00377
"1264221"	663.175686	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+CH3OH+H"	33.033486
"383890"	1299.247558	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+K"	38.963158
"743792"	1929.389758	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+K"	38.963158
"1544388"	669.105358	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+K"	38.963158
"301926"	650.127417	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+H+K"	39.970434
"698726"	965.198517	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+H+K"	39.970434
"1454733"	335.056317	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H+K"	39.970434
"240053"	1302.318226	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+ACN+H"	42.033826
"1211669"	672.176026	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+ACN+H"	42.033826
"1194699"	336.591651	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+ACN+2H"	43.041102
"188987"	1305.25556	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+2Na-H"	44.97116
"634546"	1935.39776	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+2Na-H"	44.97116
"1135135"	675.11336	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2Na-H"	44.97116
"179155"	653.131418	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+2Na"	45.978436
"623089"	968.202518	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+2Na"	45.978436
"1121128"	338.060318	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2Na"	45.978436
"1407933"	225.709304	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H+2Na"	46.985712
"1437860"	677.154946	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H+HCOOH"	47.012746
"221360"	658.16444	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+3H2O+2H"	56.04448
"1511608"	691.20699	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+IsoProp+H"	61.06479
"409105"	661.118388	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+Na+K"	61.952376
"769950"	976.189488	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+Na+K"	61.952376
"1668263"	346.047288	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Na+K"	61.952376
"252595"	1324.300168	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+ACN+Na"	64.015768
"1227496"	694.157968	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+ACN+Na"	64.015768
"1713461"	694.181493	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+NH4+HCOOH"	64.039293
"1179544"	233.036618	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+3Na"	68.967654
"1650656"	699.136888	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Na+HCOOH"	68.994688
"157999"	1337.20344	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+2K-H"	76.91904
"597923"	1967.34564	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+2K-H"	76.91904
"1084743"	707.06124	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2K-H"	76.91904
"141805"	669.105358	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"2M+2K"	77.926316
"583312"	984.176458	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"3M+2K"	77.926316
"1069529"	354.034258	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2K"	77.926316
"1103225"	709.075792	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2K+H"	78.933592
"1342889"	709.163407	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+DMSO+H"	79.021207
"1007047"	713.202576	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2ACN+H"	83.060376
"1528455"	714.196208	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+IsoProp+Na+H"	84.054008
"995995"	357.104926	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+2ACN+2H"	84.067652
"1587824"	715.110828	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+K+HCOOH"	84.968628
"1415550"	745.142338	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+H+CF3COOH"	115.000138
"1150827"	377.618201	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+3ACN+2H"	125.094202
"1699287"	762.168885	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+NH4+CF3COOH"	132.026685
"1649038"	767.12428	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+Na+CF3COOH"	136.98208
"1581528"	783.09822	"C03691"	"CMP-N-glycoloylneuraminate;CMP-N-glycolylneuraminate;CMP-Neu5Gc"	"C20H31N4O17P"	"630.1422"	"M+K+CF3COOH"	152.95602
"814084"	339.996	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"979961"	320.97761	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"69297"	225.656724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"507762"	338.988724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"889937"	112.324724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"9606"	338.988724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"448072"	508.986724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"823688"	168.990724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"84774"	678.984724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"525428"	1018.980724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"902134"	338.988724	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"53231"	696.011271	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"492793"	1036.007271	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"869136"	356.015271	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"41779"	700.966666	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"473319"	1040.962666	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"853674"	360.970666	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1621386"	360.970666	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"98652"	356.977063	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"536024"	526.975063	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"927716"	186.979063	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"269189"	714.961402	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"661611"	1054.957402	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1273887"	374.965402	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"18141"	716.940606	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"457223"	1056.936606	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"836120"	376.944606	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1555953"	376.944606	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"949674"	384.994194	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"371171"	724.990201	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"351776"	739.005851	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1499516"	399.009851	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"967055"	406.976151	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"117056"	374.965402	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"552247"	544.963402	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1023233"	204.967402	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1242811"	418.914885	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1307445"	420.970872	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1321297"	442.952829	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"912113"	452.981586	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1290157"	488.958264	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1367957"	304.983324	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1389466"	322.9933	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"284169"	680.999276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"677560"	1020.995276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1353178"	341.003276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"127889"	341.003276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"568183"	511.001276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1040261"	171.005276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"209258"	227.671276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"648088"	341.003276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1166946"	114.339276	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"426937"	698.025823	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"791212"	1038.021823	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1688636"	358.029823	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"335828"	349.5165495	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"726428"	519.5145495	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1482071"	179.5185495	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"399657"	702.981218	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"759558"	1042.977218	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1605470"	362.985218	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"320974"	351.994247	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"710116"	521.992247	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1469407"	181.996247	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1060467"	121.66659	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1266520"	373.029486	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"381816"	718.955158	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"741719"	1058.951158	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1544134"	378.959158	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"303862"	359.981217	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"697013"	529.979217	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1449375"	189.983217	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"236313"	722.025826	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1211050"	382.029826	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1200038"	191.518551	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"192910"	724.96316	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"633197"	1064.95916	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1135246"	384.96716	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"179266"	362.985218	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"619920"	532.983218	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1122332"	192.987218	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1408042"	128.993904	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1439064"	387.008746	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"221226"	368.01824	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1509170"	401.06079	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"408862"	370.972188	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"770942"	540.970188	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1666913"	200.974188	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"251651"	744.007768	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1226262"	404.011768	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1713162"	404.035293	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1178922"	136.321218	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1649947"	408.990688	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"157619"	756.91104	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"597786"	1096.90704	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1084972"	416.91504	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"142276"	378.959158	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"581838"	548.957158	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1068819"	208.961158	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1102241"	418.929592	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1335673"	419.017207	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1006301"	423.056376	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1524391"	424.050008	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"990184"	212.031826	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1587190"	424.964628	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1414350"	454.996138	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1153129"	232.545101	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1711434"	472.022685	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1648908"	476.97808	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1581639"	492.95202	"C03693"	"D-Mannose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"802166"	158.0328	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M"	0
"975697"	139.01441	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-H2O-H"	-19.01839
"65032"	104.347924	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M-3H"	-3.021828
"503620"	157.025524	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M-3H"	-3.021828
"886768"	51.670324	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-3H"	-3.021828
"1455"	157.025524	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M-2H"	-2.014552
"442718"	236.041924	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M-2H"	-2.014552
"820521"	78.009124	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-2H"	-2.014552
"83793"	315.058324	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M-H"	-1.007276
"524444"	473.091124	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M-H"	-1.007276
"901520"	157.025524	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-H"	-1.007276
"52612"	332.084871	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M-2H+NH4"	16.019271
"489016"	490.117671	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M-2H+NH4"	16.019271
"865359"	174.052071	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-2H+NH4"	16.019271
"34596"	337.040266	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M-2H+Na"	20.974666
"474158"	495.073066	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M-2H+Na"	20.974666
"854887"	179.007466	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-2H+Na"	20.974666
"1621140"	179.007466	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Na-2H"	20.974666
"95846"	175.013863	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M-H+Cl"	33.962126
"536136"	254.030263	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M-H+Cl"	33.962126
"930743"	95.997463	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-H+Cl"	33.962126
"268206"	351.035002	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+Cl"	34.969402
"660986"	509.067802	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+Cl"	34.969402
"1274115"	193.002202	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Cl"	34.969402
"16556"	353.014206	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M-2H+K"	36.948606
"457334"	511.047006	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M-2H+K"	36.948606
"833389"	194.981406	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-2H+K"	36.948606
"1557156"	194.981406	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+K-2H"	36.948606
"943304"	203.030994	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-H+HCOOH"	44.998194
"364719"	361.063801	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+HCOOH-H"	44.998201
"347512"	375.079451	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+Hac-H"	59.013851
"1499625"	217.046651	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Hac-H"	59.013851
"971550"	225.012951	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-H+NaCOOH"	66.980151
"117175"	193.002202	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+2Cl"	69.938804
"557828"	272.018602	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+2Cl"	69.938804
"1024437"	113.985802	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2Cl"	69.938804
"1254228"	236.951685	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Br"	78.918885
"1315218"	239.007672	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Cl+HCOOH"	80.974872
"1330526"	260.989629	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Cl+NaCOOH"	102.956829
"918305"	271.018386	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M-H+CF3COOH"	112.985586
"1290274"	306.995064	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Cl+CF3COOH"	148.962264
"1376454"	123.020124	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H-2H2O"	-35.012676
"1389575"	141.0301	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H-H2O"	-17.0027
"283342"	317.072876	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+H"	1.007276
"677432"	475.105676	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+H"	1.007276
"1359129"	159.040076	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H"	1.007276
"130923"	159.040076	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+2H"	2.014552
"570482"	238.056476	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+2H"	2.014552
"1040377"	80.023676	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2H"	2.014552
"209375"	106.362476	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+3H"	3.021828
"650029"	159.040076	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+3H"	3.021828
"1166328"	53.684876	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+3H"	3.021828
"434706"	334.099423	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+NH4"	18.033823
"791332"	492.132223	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+NH4"	18.033823
"1686568"	176.066623	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+NH4"	18.033823
"331565"	167.5533495	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+H+NH4"	19.041099
"723986"	246.5697495	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+H+NH4"	19.041099
"1478171"	88.5369495	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H+NH4"	19.041099
"393570"	339.054818	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+Na"	22.989218
"755536"	497.087618	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+Na"	22.989218
"1603393"	181.022018	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Na"	22.989218
"315137"	170.031047	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+H+Na"	23.996494
"708047"	249.047447	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+H+Na"	23.996494
"1461622"	91.014647	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H+Na"	23.996494
"1054750"	61.01219	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2H+Na"	25.00377
"1257886"	191.066286	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+CH3OH+H"	33.033486
"378282"	355.028758	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+K"	38.963158
"739761"	513.061558	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+K"	38.963158
"1540352"	196.995958	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+K"	38.963158
"298757"	178.018017	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+H+K"	39.970434
"696030"	257.034417	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+H+K"	39.970434
"1450579"	99.001617	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H+K"	39.970434
"238090"	358.099426	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+ACN+H"	42.033826
"1212256"	200.066626	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+ACN+H"	42.033826
"1199056"	100.536951	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+ACN+2H"	43.041102
"193022"	361.03676	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+2Na-H"	44.97116
"636955"	519.06956	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+2Na-H"	44.97116
"1136086"	203.00396	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2Na-H"	44.97116
"175363"	181.022018	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+2Na"	45.978436
"615290"	260.038418	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+2Na"	45.978436
"1118430"	102.005618	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2Na"	45.978436
"1401953"	68.339504	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H+2Na"	46.985712
"1432624"	205.045546	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H+HCOOH"	47.012746
"221224"	186.05504	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+3H2O+2H"	56.04448
"1510748"	219.09759	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+IsoProp+H"	61.06479
"410069"	189.008988	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+Na+K"	61.952376
"770694"	268.025388	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+Na+K"	61.952376
"1666295"	109.992588	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Na+K"	61.952376
"251519"	380.081368	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+ACN+Na"	64.015768
"1226007"	222.048568	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+ACN+Na"	64.015768
"1714038"	222.072093	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+NH4+HCOOH"	64.039293
"1179514"	75.666818	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+3Na"	68.967654
"1650136"	227.027488	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Na+HCOOH"	68.994688
"157524"	392.98464	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+2K-H"	76.91904
"598258"	551.01744	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+2K-H"	76.91904
"1084639"	234.95184	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2K-H"	76.91904
"141942"	196.995958	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"2M+2K"	77.926316
"582190"	276.012358	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"3M+2K"	77.926316
"1069862"	117.979558	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2K"	77.926316
"1100759"	236.966392	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2K+H"	78.933592
"1335808"	237.054007	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+DMSO+H"	79.021207
"1005799"	241.093176	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2ACN+H"	83.060376
"1524409"	242.086808	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+IsoProp+Na+H"	84.054008
"990127"	121.050226	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+2ACN+2H"	84.067652
"1602036"	243.001428	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+K+HCOOH"	84.968628
"1429154"	273.032938	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+H+CF3COOH"	115.000138
"1161869"	141.563501	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+3ACN+2H"	125.094202
"1702795"	290.059485	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+NH4+CF3COOH"	132.026685
"1646099"	295.01488	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+Na+CF3COOH"	136.98208
"1572638"	310.98882	"C03703"	"L-5-Carboxymethylhydantoin"	"C5H6N2O4"	"158.0328"	"M+K+CF3COOH"	152.95602
"812121"	494.1315	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M"	0
"984561"	475.11311	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-H2O-H"	-19.01839
"69524"	328.413724	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M-3H"	-3.021828
"507990"	493.124224	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M-3H"	-3.021828
"887977"	163.703224	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-3H"	-3.021828
"8740"	493.124224	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M-2H"	-2.014552
"449393"	740.189974	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M-2H"	-2.014552
"825007"	246.058474	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-2H"	-2.014552
"85362"	987.255724	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M-H"	-1.007276
"521279"	1481.387224	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M-H"	-1.007276
"897621"	493.124224	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-H"	-1.007276
"51633"	1004.282271	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M-2H+NH4"	16.019271
"493380"	1498.413771	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M-2H+NH4"	16.019271
"876665"	510.150771	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-2H+NH4"	16.019271
"42011"	1009.237666	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M-2H+Na"	20.974666
"474643"	1503.369166	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M-2H+Na"	20.974666
"853905"	515.106166	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-2H+Na"	20.974666
"1621250"	515.106166	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Na-2H"	20.974666
"96685"	511.112563	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M-H+Cl"	33.962126
"536246"	758.178313	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M-H+Cl"	33.962126
"928179"	264.046813	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-H+Cl"	33.962126
"268071"	1023.232402	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+Cl"	34.969402
"662926"	1517.363902	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+Cl"	34.969402
"1278611"	529.100902	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Cl"	34.969402
"16543"	1025.211606	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M-2H+K"	36.948606
"456594"	1519.343106	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M-2H+K"	36.948606
"836340"	531.080106	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-2H+K"	36.948606
"1562023"	531.080106	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+K-2H"	36.948606
"949905"	539.129694	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-H+HCOOH"	44.998194
"376999"	1033.261201	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+HCOOH-H"	44.998201
"361010"	1047.276851	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+Hac-H"	59.013851
"1506317"	553.145351	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Hac-H"	59.013851
"972519"	561.111651	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-H+NaCOOH"	66.980151
"120570"	529.100902	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+2Cl"	69.938804
"563410"	776.166652	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+2Cl"	69.938804
"1035617"	282.035152	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2Cl"	69.938804
"1251787"	573.050385	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Br"	78.918885
"1306580"	575.106372	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Cl+HCOOH"	80.974872
"1321891"	597.088329	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Cl+NaCOOH"	102.956829
"913434"	607.117086	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M-H+CF3COOH"	112.985586
"1290751"	643.093764	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Cl+CF3COOH"	148.962264
"1368915"	459.118824	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H-2H2O"	-35.012676
"1387507"	477.1288	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H-H2O"	-17.0027
"288286"	989.270276	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+H"	1.007276
"679613"	1483.401776	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+H"	1.007276
"1363622"	495.138776	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H"	1.007276
"131044"	495.138776	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+2H"	2.014552
"571696"	742.204526	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+2H"	2.014552
"1041588"	248.073026	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2H"	2.014552
"211678"	330.428276	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+3H"	3.021828
"647960"	495.138776	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+3H"	3.021828
"1166086"	165.717776	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+3H"	3.021828
"427535"	1006.296823	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+NH4"	18.033823
"790356"	1500.428323	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+NH4"	18.033823
"1688873"	512.165323	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+NH4"	18.033823
"331681"	503.6520495	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+H+NH4"	19.041099
"724342"	750.7177995	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+H+NH4"	19.041099
"1478649"	256.5862995	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H+NH4"	19.041099
"397697"	1011.252218	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+Na"	22.989218
"754515"	1505.383718	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+Na"	22.989218
"1603188"	517.120718	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Na"	22.989218
"314878"	506.129747	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+H+Na"	23.996494
"707668"	753.195497	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+H+Na"	23.996494
"1461970"	259.063997	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H+Na"	23.996494
"1053889"	173.04509	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2H+Na"	25.00377
"1258358"	527.164986	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+CH3OH+H"	33.033486
"378393"	1027.226158	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+K"	38.963158
"738857"	1521.357658	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+K"	38.963158
"1540587"	533.094658	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+K"	38.963158
"302990"	514.116717	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+H+K"	39.970434
"695051"	761.182467	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+H+K"	39.970434
"1448505"	267.050967	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H+K"	39.970434
"236986"	1030.296826	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+ACN+H"	42.033826
"1210663"	536.165326	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+ACN+H"	42.033826
"1195155"	268.586301	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+ACN+2H"	43.041102
"189849"	1033.23416	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+2Na-H"	44.97116
"631963"	1527.36566	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+2Na-H"	44.97116
"1134740"	539.10266	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2Na-H"	44.97116
"175110"	517.120718	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+2Na"	45.978436
"615049"	764.186468	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+2Na"	45.978436
"1118194"	270.054968	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2Na"	45.978436
"1403903"	180.372404	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H+2Na"	46.985712
"1432740"	541.144246	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H+HCOOH"	47.012746
"220966"	522.15374	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+3H2O+2H"	56.04448
"1509758"	555.19629	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+IsoProp+H"	61.06479
"409443"	525.107688	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+Na+K"	61.952376
"770687"	772.173438	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+Na+K"	61.952376
"1669331"	278.041938	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Na+K"	61.952376
"252568"	1052.278768	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+ACN+Na"	64.015768
"1227832"	558.147268	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+ACN+Na"	64.015768
"1715258"	558.170793	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+NH4+HCOOH"	64.039293
"1179553"	187.699718	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+3Na"	68.967654
"1651968"	563.126188	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Na+HCOOH"	68.994688
"157732"	1065.18204	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+2K-H"	76.91904
"597327"	1559.31354	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+2K-H"	76.91904
"1084349"	571.05054	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2K-H"	76.91904
"141773"	533.094658	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"2M+2K"	77.926316
"581936"	780.160408	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"3M+2K"	77.926316
"1072542"	286.028908	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2K"	77.926316
"1101010"	573.065092	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2K+H"	78.933592
"1335812"	573.152707	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+DMSO+H"	79.021207
"1012859"	577.191876	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2ACN+H"	83.060376
"1539707"	578.185508	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+IsoProp+Na+H"	84.054008
"999624"	289.099576	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+2ACN+2H"	84.067652
"1600691"	579.100128	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+K+HCOOH"	84.968628
"1426349"	609.131638	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+H+CF3COOH"	115.000138
"1159921"	309.612851	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+3ACN+2H"	125.094202
"1709472"	626.158185	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+NH4+CF3COOH"	132.026685
"1648401"	631.11358	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+Na+CF3COOH"	136.98208
"1581864"	647.08752	"C03709"	"N-Adenylyl-L-phenylalanine"	"C19H23N6O8P"	"494.1315"	"M+K+CF3COOH"	152.95602
"812231"	209.0688	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M"	0
"987952"	190.05041	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-H2O-H"	-19.01839
"74008"	138.371924	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M-3H"	-3.021828
"515755"	208.061524	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M-3H"	-3.021828
"892461"	68.682324	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-3H"	-3.021828
"13223"	208.061524	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M-2H"	-2.014552
"449503"	312.595924	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M-2H"	-2.014552
"821836"	103.527124	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-2H"	-2.014552
"90578"	417.130324	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M-H"	-1.007276
"520663"	626.199124	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M-H"	-1.007276
"898828"	208.061524	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-H"	-1.007276
"50651"	434.156871	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M-2H+NH4"	16.019271
"495314"	643.225671	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M-2H+NH4"	16.019271
"874218"	225.088071	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-2H+NH4"	16.019271
"42121"	439.112266	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M-2H+Na"	20.974666
"476212"	648.181066	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M-2H+Na"	20.974666
"854015"	230.043466	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-2H+Na"	20.974666
"1622454"	230.043466	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Na-2H"	20.974666
"97158"	226.049863	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M-H+Cl"	33.962126
"537450"	330.584263	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M-H+Cl"	33.962126
"928896"	121.515463	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-H+Cl"	33.962126
"271708"	453.107002	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+Cl"	34.969402
"666317"	662.175802	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+Cl"	34.969402
"1279815"	244.038202	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Cl"	34.969402
"20182"	455.086206	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M-2H+K"	36.948606
"460836"	664.155006	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M-2H+K"	36.948606
"838637"	246.017406	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-2H+K"	36.948606
"1564320"	246.017406	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+K-2H"	36.948606
"950015"	254.066994	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-H+HCOOH"	44.998194
"376757"	463.135801	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+HCOOH-H"	44.998201
"360514"	477.151451	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+Hac-H"	59.013851
"1506795"	268.082651	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Hac-H"	59.013851
"972507"	276.048951	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-H+NaCOOH"	66.980151
"121774"	244.038202	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+2Cl"	69.938804
"564256"	348.572602	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+2Cl"	69.938804
"1034148"	139.503802	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2Cl"	69.938804
"1252990"	287.987685	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Br"	78.918885
"1311065"	290.043672	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Cl+HCOOH"	80.974872
"1324551"	312.025629	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Cl+NaCOOH"	102.956829
"916340"	322.054386	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M-H+CF3COOH"	112.985586
"1294140"	358.031064	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Cl+CF3COOH"	148.962264
"1372307"	174.056124	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H-2H2O"	-35.012676
"1391991"	192.0661	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H-H2O"	-17.0027
"294595"	419.144876	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+H"	1.007276
"681910"	628.213676	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+H"	1.007276
"1356071"	210.076076	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H"	1.007276
"134431"	210.076076	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+2H"	2.014552
"575819"	314.610476	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+2H"	2.014552
"1043887"	105.541676	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2H"	2.014552
"212882"	140.386476	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+3H"	3.021828
"648069"	210.076076	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+3H"	3.021828
"1169476"	70.696876	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+3H"	3.021828
"428375"	436.171423	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+NH4"	18.033823
"790466"	645.240223	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+NH4"	18.033823
"1688983"	227.102623	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+NH4"	18.033823
"332519"	218.5893495	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+H+NH4"	19.041099
"725304"	323.1237495	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+H+NH4"	19.041099
"1478762"	114.0549495	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H+NH4"	19.041099
"398171"	441.126818	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+Na"	22.989218
"755037"	650.195618	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+Na"	22.989218
"1603502"	232.058018	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Na"	22.989218
"314867"	221.067047	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+H+Na"	23.996494
"709365"	325.601447	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+H+Na"	23.996494
"1465373"	116.532647	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H+Na"	23.996494
"1054365"	78.02419	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2H+Na"	25.00377
"1259566"	242.102286	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+CH3OH+H"	33.033486
"380692"	457.100758	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+K"	38.963158
"740589"	666.169558	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+K"	38.963158
"1548475"	248.031958	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+K"	38.963158
"304924"	229.054017	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+H+K"	39.970434
"695158"	333.588417	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+H+K"	39.970434
"1451169"	124.519617	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H+K"	39.970434
"243052"	460.171426	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+ACN+H"	42.033826
"1215031"	251.102626	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+ACN+H"	42.033826
"1198185"	126.054951	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+ACN+2H"	43.041102
"200896"	463.10876	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+2Na-H"	44.97116
"639364"	672.17756	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+2Na-H"	44.97116
"1139588"	254.03996	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2Na-H"	44.97116
"175951"	232.058018	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+2Na"	45.978436
"619172"	336.592418	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+2Na"	45.978436
"1117574"	127.523618	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2Na"	45.978436
"1408389"	85.351504	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H+2Na"	46.985712
"1436130"	256.081546	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H+HCOOH"	47.012746
"221449"	237.09104	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+3H2O+2H"	56.04448
"1509146"	270.13359	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+IsoProp+H"	61.06479
"409560"	240.044988	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+Na+K"	61.952376
"770559"	344.579388	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+Na+K"	61.952376
"1673089"	135.510588	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Na+K"	61.952376
"256329"	482.153368	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+ACN+Na"	64.015768
"1233412"	273.084568	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+ACN+Na"	64.015768
"1714033"	273.108093	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+NH4+HCOOH"	64.039293
"1179021"	92.678818	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+3Na"	68.967654
"1652809"	278.063488	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Na+HCOOH"	68.994688
"158939"	495.05664	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+2K-H"	76.91904
"597765"	704.12544	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+2K-H"	76.91904
"1085924"	285.98784	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2K-H"	76.91904
"141642"	248.031958	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"2M+2K"	77.926316
"581423"	352.566358	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"3M+2K"	77.926316
"1072652"	143.497558	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2K"	77.926316
"1103673"	288.002392	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2K+H"	78.933592
"1335842"	288.090007	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+DMSO+H"	79.021207
"1012969"	292.129176	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2ACN+H"	83.060376
"1538640"	293.122808	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+IsoProp+Na+H"	84.054008
"998641"	146.568226	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+2ACN+2H"	84.067652
"1598614"	294.037428	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+K+HCOOH"	84.968628
"1424272"	324.068938	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+H+CF3COOH"	115.000138
"1161124"	167.081501	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+3ACN+2H"	125.094202
"1708488"	341.095485	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+NH4+CF3COOH"	132.026685
"1648147"	346.05088	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+Na+CF3COOH"	136.98208
"1581974"	362.02482	"C03710"	"N-Benzyloxycarbonylglycine;N-CBZ-glycine"	"C10H11NO4"	"209.0688"	"M+K+CF3COOH"	152.95602
"812341"	151.0997	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M"	0
"984782"	132.08131	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"68651"	99.7258573333333	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"510396"	150.092424	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"891478"	49.3592906666667	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"8960"	150.092424	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"450705"	225.642274	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"821947"	74.542574	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"87407"	301.192124	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"519190"	452.291824	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"896989"	150.092424	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"48568"	318.218671	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"488497"	469.318371	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"868495"	167.118971	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"35670"	323.174066	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"475229"	474.273766	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"853032"	172.074366	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1620741"	172.074366	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"96540"	168.080763	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"536466"	243.630613	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"927586"	92.530913	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"268049"	337.168802	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"665334"	488.268502	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1276645"	186.069102	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"19199"	339.148006	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"456572"	490.247706	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"837654"	188.048306	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1564430"	188.048306	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"950125"	196.097894	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"376548"	347.197601	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"361072"	361.213251	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1507878"	210.113551	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"972985"	218.079851	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"119697"	186.069102	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"564731"	261.618952	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1036081"	110.519252	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1252736"	230.018585	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1311175"	232.074572	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1324299"	254.056529	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"917543"	264.085286	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1294616"	300.061964	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1372417"	116.087024	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1392101"	134.097	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"294340"	303.206676	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"682020"	454.306376	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1357275"	152.106976	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"136365"	152.106976	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"574833"	227.656826	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1043997"	76.557126	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"210803"	101.740409333333	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"646357"	152.106976	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1169586"	51.3738426666667	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"431765"	320.233223	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"793856"	471.332923	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1689093"	169.133523	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"331901"	160.6202495	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"723956"	236.1700995	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1479236"	85.0703995	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"396824"	325.188618	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"754623"	476.288318	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1604100"	174.088918	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"315226"	163.097947	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"709475"	238.647797	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1465483"	87.548097	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1056541"	58.7011566666667	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1260406"	184.133186	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"379345"	341.162558	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"745439"	492.262258	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1544212"	190.062858	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"302848"	171.084917	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"697092"	246.634767	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1450917"	95.535067	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"243893"	344.233226	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1211860"	193.133526	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1199388"	97.070401	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"201615"	347.17056	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"638381"	498.27026	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1136418"	196.07086	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"176790"	174.088918	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"621468"	249.638768	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1119508"	98.539068	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1408499"	66.0284706666667	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1434052"	198.112446	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"228122"	179.12194	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1511081"	212.16449	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"408942"	182.075888	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"771034"	257.625738	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1668093"	106.526038	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"256439"	366.215168	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1234616"	215.115468	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1715844"	215.138993	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1182292"	73.3557846666667	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1653648"	220.094388	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"159414"	379.11844	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"598363"	530.21814	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1088221"	228.01874	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"141517"	190.062858	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"581547"	265.612708	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1071669"	114.513008	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1103783"	230.033292	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1335681"	230.120907	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1014172"	234.160076	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1539598"	235.153708	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"998751"	117.583676	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1598724"	236.068328	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1424382"	266.099838	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1160506"	138.096951	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1708598"	283.126385	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1647528"	288.08178	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1582084"	304.05572	"C03711"	"N-Methylphenylethanolamine;alpha-(Methylamino)methyl-benzyl alcohol"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"812451"	340.1423	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M"	0
"984892"	321.12391	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-H2O-H"	-19.01839
"70948"	225.754257333333	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M-3H"	-3.021828
"507226"	339.135024	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M-3H"	-3.021828
"888308"	112.373490666667	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-3H"	-3.021828
"9070"	339.135024	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M-2H"	-2.014552
"447535"	509.206174	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M-2H"	-2.014552
"823150"	169.063874	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-2H"	-2.014552
"87517"	679.277324	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M-H"	-1.007276
"520880"	1019.419624	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M-H"	-1.007276
"898679"	339.135024	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-H"	-1.007276
"50502"	696.303871	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M-2H+NH4"	16.019271
"490792"	1036.446171	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M-2H+NH4"	16.019271
"866784"	356.161571	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-2H+NH4"	16.019271
"35779"	701.259266	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M-2H+Na"	20.974666
"475338"	1041.401566	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M-2H+Na"	20.974666
"854234"	361.116966	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-2H+Na"	20.974666
"1621580"	361.116966	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Na-2H"	20.974666
"97015"	357.123363	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M-H+Cl"	33.962126
"538762"	527.194513	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M-H+Cl"	33.962126
"928996"	187.052213	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-H+Cl"	33.962126
"267347"	715.254002	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+Cl"	34.969402
"661188"	1055.396302	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+Cl"	34.969402
"1275660"	375.111702	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Cl"	34.969402
"17122"	717.233206	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M-2H+K"	36.948606
"455893"	1057.375506	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M-2H+K"	36.948606
"834481"	377.090906	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-2H+K"	36.948606
"1564540"	377.090906	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+K-2H"	36.948606
"946955"	385.140494	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-H+HCOOH"	44.998194
"376001"	725.282801	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+HCOOH-H"	44.998201
"360612"	739.298451	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+Hac-H"	59.013851
"1507864"	399.156151	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Hac-H"	59.013851
"973695"	407.122451	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-H+NaCOOH"	66.980151
"119808"	375.111702	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+2Cl"	69.938804
"560461"	545.182852	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+2Cl"	69.938804
"1029260"	205.040552	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2Cl"	69.938804
"1252118"	419.061185	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Br"	78.918885
"1308004"	421.117172	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Cl+HCOOH"	80.974872
"1324407"	443.099129	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Cl+NaCOOH"	102.956829
"916559"	453.127886	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M-H+CF3COOH"	112.985586
"1292542"	489.104564	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Cl+CF3COOH"	148.962264
"1371433"	305.129624	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H-2H2O"	-35.012676
"1393305"	323.1396	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H-H2O"	-17.0027
"290803"	681.291876	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+H"	1.007276
"679214"	1021.434176	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+H"	1.007276
"1355195"	341.149576	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H"	1.007276
"131369"	341.149576	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+2H"	2.014552
"572027"	511.220726	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+2H"	2.014552
"1037907"	171.078426	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2H"	2.014552
"206536"	227.768809333333	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+3H"	3.021828
"646467"	341.149576	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+3H"	3.021828
"1168602"	114.388042666667	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+3H"	3.021828
"428593"	698.318423	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+NH4"	18.033823
"791778"	1038.460723	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+NH4"	18.033823
"1689201"	358.176123	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+NH4"	18.033823
"331646"	349.6628495	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+H+NH4"	19.041099
"725889"	519.7339995	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+H+NH4"	19.041099
"1480805"	179.5916995	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H+NH4"	19.041099
"402400"	703.273818	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+Na"	22.989218
"759028"	1043.416118	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+Na"	22.989218
"1604941"	363.131518	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Na"	22.989218
"315340"	352.140547	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+H+Na"	23.996494
"711772"	522.211697	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+H+Na"	23.996494
"1464500"	182.069397	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H+Na"	23.996494
"1058841"	121.715356666667	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2H+Na"	25.00377
"1262702"	373.175786	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+CH3OH+H"	33.033486
"381277"	719.247758	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+K"	38.963158
"740446"	1059.390058	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+K"	38.963158
"1547603"	379.105458	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+K"	38.963158
"303686"	360.127517	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+H+K"	39.970434
"696109"	530.198667	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+H+K"	39.970434
"1448112"	190.056367	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H+K"	39.970434
"240720"	722.318426	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+ACN+H"	42.033826
"1210875"	382.176126	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+ACN+H"	42.033826
"1197312"	191.591701	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+ACN+2H"	43.041102
"195651"	725.25576	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+2Na-H"	44.97116
"635211"	1065.39806	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+2Na-H"	44.97116
"1137623"	385.11346	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2Na-H"	44.97116
"179819"	363.131518	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+2Na"	45.978436
"618297"	533.202668	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+2Na"	45.978436
"1116576"	193.060368	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2Na"	45.978436
"1406420"	129.042670666667	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H+2Na"	46.985712
"1430998"	387.155046	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H+HCOOH"	47.012746
"220816"	368.16454	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+3H2O+2H"	56.04448
"1508959"	401.20709	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+IsoProp+H"	61.06479
"409131"	371.118488	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+Na+K"	61.952376
"770779"	541.189638	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+Na+K"	61.952376
"1670027"	201.047338	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Na+K"	61.952376
"254360"	744.300368	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+ACN+Na"	64.015768
"1235455"	404.158068	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+ACN+Na"	64.015768
"1721424"	404.181593	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+NH4+HCOOH"	64.039293
"1186777"	136.369984666667	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+3Na"	68.967654
"1654486"	409.136988	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Na+HCOOH"	68.994688
"157455"	757.20364	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+2K-H"	76.91904
"599446"	1097.34594	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+2K-H"	76.91904
"1088331"	417.06134	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2K-H"	76.91904
"142231"	379.105458	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"2M+2K"	77.926316
"582156"	549.176608	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"3M+2K"	77.926316
"1071779"	209.034308	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2K"	77.926316
"1099997"	419.075892	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2K+H"	78.933592
"1336022"	419.163507	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+DMSO+H"	79.021207
"1011003"	423.202676	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2ACN+H"	83.060376
"1537881"	424.196308	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+IsoProp+Na+H"	84.054008
"998861"	212.104976	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+2ACN+2H"	84.067652
"1598834"	425.110928	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+K+HCOOH"	84.968628
"1424492"	455.142438	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+H+CF3COOH"	115.000138
"1160979"	232.618251	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+3ACN+2H"	125.094202
"1708707"	472.168985	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+NH4+CF3COOH"	132.026685
"1646544"	477.12438	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+Na+CF3COOH"	136.98208
"1582194"	493.09832	"C03712"	"N2N5-Dibenzoyl-L-ornithine;L-Ornithuric acid"	"C19H20N2O4"	"340.1423"	"M+K+CF3COOH"	152.95602
"802720"	146.0215	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M"	0
"981722"	127.00311	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-H2O-H"	-19.01839
"66683"	96.3403906666667	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M-3H"	-3.021828
"509523"	145.014224	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M-3H"	-3.021828
"890604"	47.6665573333333	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-3H"	-3.021828
"6993"	145.014224	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M-2H"	-2.014552
"446551"	218.024974	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M-2H"	-2.014552
"824353"	72.003474	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-2H"	-2.014552
"80337"	291.035724	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M-H"	-1.007276
"520262"	437.057224	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M-H"	-1.007276
"898427"	145.014224	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-H"	-1.007276
"50613"	308.062271	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M-2H+NH4"	16.019271
"489093"	454.083771	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M-2H+NH4"	16.019271
"867991"	162.040771	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-2H+NH4"	16.019271
"32853"	313.017666	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M-2H+Na"	20.974666
"473267"	459.039166	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M-2H+Na"	20.974666
"852160"	166.996166	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-2H+Na"	20.974666
"1623878"	166.996166	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Na-2H"	20.974666
"97128"	163.002563	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M-H+Cl"	33.962126
"535592"	236.013313	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M-H+Cl"	33.962126
"927122"	89.991813	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-H+Cl"	33.962126
"269487"	327.012402	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+Cl"	34.969402
"662637"	473.033902	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+Cl"	34.969402
"1273941"	180.990902	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Cl"	34.969402
"16135"	328.991606	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M-2H+K"	36.948606
"456424"	475.013106	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M-2H+K"	36.948606
"845539"	182.970106	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-2H+K"	36.948606
"1569392"	182.970106	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+K-2H"	36.948606
"957157"	191.019694	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-H+HCOOH"	44.998194
"372939"	337.041201	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+HCOOH-H"	44.998201
"357914"	351.056851	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+Hac-H"	59.013851
"1504561"	205.035351	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Hac-H"	59.013851
"965540"	213.001651	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-H+NaCOOH"	66.980151
"125017"	180.990902	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+2Cl"	69.938804
"557287"	254.001652	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+2Cl"	69.938804
"1027180"	107.980152	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2Cl"	69.938804
"1244575"	224.940385	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Br"	78.918885
"1308118"	226.996372	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Cl+HCOOH"	80.974872
"1324521"	248.978329	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Cl+NaCOOH"	102.956829
"922143"	259.007086	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M-H+CF3COOH"	112.985586
"1299944"	294.983764	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Cl+CF3COOH"	148.962264
"1379200"	111.008824	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H-2H2O"	-35.012676
"1393414"	129.0188	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H-H2O"	-17.0027
"293830"	293.050276	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+H"	1.007276
"680054"	439.071776	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+H"	1.007276
"1356405"	147.028776	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H"	1.007276
"128565"	147.028776	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+2H"	2.014552
"567761"	220.039526	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+2H"	2.014552
"1042026"	74.018026	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2H"	2.014552
"205917"	98.3549426666667	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+3H"	3.021828
"647303"	147.028776	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+3H"	3.021828
"1165788"	49.6811093333333	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+3H"	3.021828
"427610"	310.076823	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+NH4"	18.033823
"787875"	456.098323	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+NH4"	18.033823
"1689314"	164.055323	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+NH4"	18.033823
"337591"	155.5420495	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+H+NH4"	19.041099
"727096"	228.5527995	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+H+NH4"	19.041099
"1482740"	82.5312995	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H+NH4"	19.041099
"401424"	315.032218	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+Na"	22.989218
"760234"	461.053718	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+Na"	22.989218
"1611612"	169.010718	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Na"	22.989218
"323836"	158.019747	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+H+Na"	23.996494
"716624"	231.030497	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+H+Na"	23.996494
"1466797"	85.008997	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H+Na"	23.996494
"1057855"	57.0084233333333	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2H+Na"	25.00377
"1263905"	179.054986	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+CH3OH+H"	33.033486
"380295"	331.006158	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+K"	38.963158
"744568"	477.027658	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+K"	38.963158
"1544437"	184.984658	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+K"	38.963158
"303801"	166.006717	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+H+K"	39.970434
"695491"	239.017467	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+H+K"	39.970434
"1445830"	92.995967	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H+K"	39.970434
"236208"	334.076826	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+ACN+H"	42.033826
"1210338"	188.055326	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+ACN+H"	42.033826
"1194667"	94.531301	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+ACN+2H"	43.041102
"196855"	337.01416	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+2Na-H"	44.97116
"630584"	483.03566	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+2Na-H"	44.97116
"1133723"	190.99266	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2Na-H"	44.97116
"178846"	169.010718	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+2Na"	45.978436
"616221"	242.021468	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+2Na"	45.978436
"1116688"	95.999968	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2Na"	45.978436
"1409082"	64.3357373333333	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H+2Na"	46.985712
"1436458"	193.034246	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H+HCOOH"	47.012746
"221049"	174.04374	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+3H2O+2H"	56.04448
"1512030"	207.08629	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+IsoProp+H"	61.06479
"409888"	176.997688	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+Na+K"	61.952376
"770199"	250.008438	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+Na+K"	61.952376
"1669047"	103.986938	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Na+K"	61.952376
"254474"	356.058768	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+ACN+Na"	64.015768
"1231556"	210.037268	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+ACN+Na"	64.015768
"1716068"	210.060793	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+NH4+HCOOH"	64.039293
"1181787"	71.6630513333333	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+3Na"	68.967654
"1655689"	215.016188	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Na+HCOOH"	68.994688
"157606"	368.96204	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+2K-H"	76.91904
"598828"	514.98354	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+2K-H"	76.91904
"1084673"	222.94054	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2K-H"	76.91904
"143802"	184.984658	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"2M+2K"	77.926316
"583730"	257.995408	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"3M+2K"	77.926316
"1072982"	111.973908	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2K"	77.926316
"1102185"	224.955092	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2K+H"	78.933592
"1348053"	225.042707	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+DMSO+H"	79.021207
"1019509"	229.081876	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2ACN+H"	83.060376
"1535806"	230.075508	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+IsoProp+Na+H"	84.054008
"1004084"	115.044576	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+2ACN+2H"	84.067652
"1601864"	230.990128	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+K+HCOOH"	84.968628
"1424604"	261.021638	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+H+CF3COOH"	115.000138
"1158903"	135.557851	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+3ACN+2H"	125.094202
"1709546"	278.048185	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+NH4+CF3COOH"	132.026685
"1646654"	283.00358	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+Na+CF3COOH"	136.98208
"1582304"	298.97752	"C03716"	"Oxaloacetate 4-methyl ester"	"C5H6O5"	"146.0215"	"M+K+CF3COOH"	152.95602
"814860"	395.1634	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M"	0
"986209"	376.14501	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-H2O-H"	-19.01839
"68984"	262.434990666667	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M-3H"	-3.021828
"508542"	394.156124	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M-3H"	-3.021828
"885250"	130.713857333333	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-3H"	-3.021828
"12573"	394.156124	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M-2H"	-2.014552
"448852"	591.737824	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M-2H"	-2.014552
"825558"	196.574424	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-2H"	-2.014552
"82271"	789.319524	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M-H"	-1.007276
"522925"	1184.482924	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M-H"	-1.007276
"899634"	394.156124	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-H"	-1.007276
"51820"	806.346071	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M-2H+NH4"	16.019271
"498684"	1201.509471	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M-2H+NH4"	16.019271
"868101"	411.182671	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-2H+NH4"	16.019271
"36003"	811.301466	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M-2H+Na"	20.974666
"481034"	1206.464866	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M-2H+Na"	20.974666
"856647"	416.138066	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-2H+Na"	20.974666
"1628366"	416.138066	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Na-2H"	20.974666
"100519"	412.144463	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M-H+Cl"	33.962126
"538985"	609.726163	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M-H+Cl"	33.962126
"927760"	214.562763	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-H+Cl"	33.962126
"269965"	825.296202	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+Cl"	34.969402
"661779"	1220.459602	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+Cl"	34.969402
"1276978"	430.132802	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Cl"	34.969402
"17467"	827.275406	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M-2H+K"	36.948606
"460187"	1222.438806	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M-2H+K"	36.948606
"847972"	432.112006	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-2H+K"	36.948606
"1570846"	432.112006	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+K-2H"	36.948606
"958162"	440.161594	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-H+HCOOH"	44.998194
"376942"	835.325001	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+HCOOH-H"	44.998201
"361191"	849.340651	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+Hac-H"	59.013851
"1503580"	454.177251	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Hac-H"	59.013851
"972579"	462.143551	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-H+NaCOOH"	66.980151
"124402"	430.132802	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+2Cl"	69.938804
"560680"	627.714502	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+2Cl"	69.938804
"1031666"	232.551102	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2Cl"	69.938804
"1247965"	474.082285	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Br"	78.918885
"1308592"	476.138272	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Cl+HCOOH"	80.974872
"1326817"	498.120229	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Cl+NaCOOH"	102.956829
"923347"	508.148986	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M-H+CF3COOH"	112.985586
"1297867"	544.125664	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Cl+CF3COOH"	148.962264
"1379676"	360.150724	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H-2H2O"	-35.012676
"1395712"	378.1607	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H-H2O"	-17.0027
"295038"	791.334076	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+H"	1.007276
"684541"	1186.497476	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+H"	1.007276
"1358705"	396.170676	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H"	1.007276
"137794"	396.170676	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+2H"	2.014552
"575896"	593.752376	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+2H"	2.014552
"1042143"	198.588976	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2H"	2.014552
"208220"	264.449542666667	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+3H"	3.021828
"648509"	396.170676	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+3H"	3.021828
"1173197"	132.728409333333	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+3H"	3.021828
"432094"	808.360623	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+NH4"	18.033823
"790907"	1203.524023	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+NH4"	18.033823
"1687240"	413.197223	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+NH4"	18.033823
"333331"	404.6839495	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+H+NH4"	19.041099
"730126"	602.2656495	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+H+NH4"	19.041099
"1485040"	207.1022495	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H+NH4"	19.041099
"408224"	813.316018	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+Na"	22.989218
"769581"	1208.479418	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+Na"	22.989218
"1617560"	418.152618	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Na"	22.989218
"325047"	407.161647	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+H+Na"	23.996494
"717831"	604.743347	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+H+Na"	23.996494
"1472380"	209.579947	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H+Na"	23.996494
"1062344"	140.055723333333	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2H+Na"	25.00377
"1268395"	428.196886	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+CH3OH+H"	33.033486
"385880"	829.289958	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+K"	38.963158
"745782"	1224.453358	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+K"	38.963158
"1546737"	434.126558	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+K"	38.963158
"303913"	415.148617	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+H+K"	39.970434
"697430"	612.730317	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+H+K"	39.970434
"1449062"	217.566917	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H+K"	39.970434
"245319"	832.360626	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+ACN+H"	42.033826
"1219120"	437.197226	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+ACN+H"	42.033826
"1197535"	219.102251	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+ACN+2H"	43.041102
"192592"	835.29796	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+2Na-H"	44.97116
"629236"	1230.46136	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+2Na-H"	44.97116
"1133105"	440.13456	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2Na-H"	44.97116
"182239"	418.152618	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+2Na"	45.978436
"613293"	615.734318	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+2Na"	45.978436
"1123117"	220.570918	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2Na"	45.978436
"1401174"	147.383037333333	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H+2Na"	46.985712
"1435476"	442.176146	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H+HCOOH"	47.012746
"222985"	423.18564	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+3H2O+2H"	56.04448
"1516514"	456.22819	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+IsoProp+H"	61.06479
"415106"	426.139588	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+Na+K"	61.952376
"777197"	623.721288	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+Na+K"	61.952376
"1673531"	228.557888	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Na+K"	61.952376
"256772"	854.342568	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+ACN+Na"	64.015768
"1230573"	459.179168	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+ACN+Na"	64.015768
"1719459"	459.202693	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+NH4+HCOOH"	64.039293
"1183722"	154.710351333333	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+3Na"	68.967654
"1654707"	464.158088	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Na+HCOOH"	68.994688
"158287"	867.24584	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+2K-H"	76.91904
"600034"	1262.40924	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+2K-H"	76.91904
"1085639"	472.08244	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2K-H"	76.91904
"143550"	434.126558	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"2M+2K"	77.926316
"590770"	631.708258	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"3M+2K"	77.926316
"1072364"	236.544858	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2K"	77.926316
"1104117"	474.096992	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2K+H"	78.933592
"1348171"	474.184607	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+DMSO+H"	79.021207
"1019621"	478.223776	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2ACN+H"	83.060376
"1537378"	479.217408	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+IsoProp+Na+H"	84.054008
"1002366"	239.615526	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+2ACN+2H"	84.067652
"1600878"	480.132028	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+K+HCOOH"	84.968628
"1428728"	510.163538	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+H+CF3COOH"	115.000138
"1162302"	260.128801	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+3ACN+2H"	125.094202
"1708565"	527.190085	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+NH4+CF3COOH"	132.026685
"1647860"	532.14548	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+Na+CF3COOH"	136.98208
"1582415"	548.11942	"C03717"	"Oxidized Renilla luciferin"	"C25H21N3O2"	"395.1634"	"M+K+CF3COOH"	152.95602
"802940"	167.0405	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M"	0
"979755"	148.02211	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-H2O-H"	-19.01839
"67997"	110.353057333333	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M-3H"	-3.021828
"513023"	166.033224	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M-3H"	-3.021828
"889729"	54.6728906666667	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-3H"	-3.021828
"10494"	166.033224	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M-2H"	-2.014552
"448962"	249.553474	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M-2H"	-2.014552
"823483"	82.512974	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-2H"	-2.014552
"79830"	333.073724	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M-H"	-1.007276
"521577"	500.114224	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M-H"	-1.007276
"899015"	166.033224	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-H"	-1.007276
"53023"	350.100271	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M-2H+NH4"	16.019271
"498065"	517.140771	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M-2H+NH4"	16.019271
"868211"	183.059771	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-2H+NH4"	16.019271
"31977"	355.055666	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M-2H+Na"	20.974666
"480049"	522.096166	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M-2H+Na"	20.974666
"856757"	188.015166	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-2H+Na"	20.974666
"1625196"	188.015166	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Na-2H"	20.974666
"96618"	184.021563	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M-H+Cl"	33.962126
"536908"	267.541813	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M-H+Cl"	33.962126
"929324"	100.501313	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-H+Cl"	33.962126
"268734"	369.050402	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+Cl"	34.969402
"662859"	536.090902	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+Cl"	34.969402
"1277088"	202.009902	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Cl"	34.969402
"18549"	371.029606	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M-2H+K"	36.948606
"460297"	538.070106	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M-2H+K"	36.948606
"847221"	203.989106	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-2H+K"	36.948606
"1570711"	203.989106	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+K-2H"	36.948606
"956405"	212.038694	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-H+HCOOH"	44.998194
"373528"	379.079201	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+HCOOH-H"	44.998201
"358748"	393.094851	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+Hac-H"	59.013851
"1504057"	226.054351	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Hac-H"	59.013851
"971594"	234.020651	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-H+NaCOOH"	66.980151
"123786"	202.009902	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+2Cl"	69.938804
"560789"	285.530152	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+2Cl"	69.938804
"1030682"	118.489652	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2Cl"	69.938804
"1245887"	245.959385	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Br"	78.918885
"1308337"	248.015372	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Cl+HCOOH"	80.974872
"1325834"	269.997329	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Cl+NaCOOH"	102.956829
"921270"	280.026086	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M-H+CF3COOH"	112.985586
"1296884"	316.002764	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Cl+CF3COOH"	148.962264
"1376140"	132.027824	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H-2H2O"	-35.012676
"1394001"	150.0378	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H-H2O"	-17.0027
"294053"	335.088276	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+H"	1.007276
"684287"	502.128776	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+H"	1.007276
"1359543"	168.047776	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H"	1.007276
"136806"	168.047776	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+2H"	2.014552
"576734"	251.568026	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+2H"	2.014552
"1045532"	84.527526	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2H"	2.014552
"213068"	112.367609333333	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+3H"	3.021828
"650805"	168.047776	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+3H"	3.021828
"1173307"	56.6874426666667	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+3H"	3.021828
"430017"	352.114823	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+NH4"	18.033823
"789923"	519.155323	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+NH4"	18.033823
"1687350"	185.074323	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+NH4"	18.033823
"333441"	176.5610495	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+H+NH4"	19.041099
"729143"	260.0812995	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+H+NH4"	19.041099
"1485150"	93.0407995	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H+NH4"	19.041099
"408051"	357.070218	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+Na"	22.989218
"769613"	524.110718	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+Na"	22.989218
"1618278"	190.029718	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Na"	22.989218
"326978"	179.038747	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+H+Na"	23.996494
"719762"	262.558997	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+H+Na"	23.996494
"1472490"	95.518497	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H+Na"	23.996494
"1061362"	64.0147566666667	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2H+Na"	25.00377
"1268506"	200.073986	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+CH3OH+H"	33.033486
"387082"	373.044158	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+K"	38.963158
"745892"	540.084658	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+K"	38.963158
"1549033"	206.003658	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+K"	38.963158
"305116"	187.025717	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+H+K"	39.970434
"700819"	270.545967	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+H+K"	39.970434
"1452452"	103.505467	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H+K"	39.970434
"247616"	376.114826	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+ACN+H"	42.033826
"1219230"	209.074326	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+ACN+H"	42.033826
"1199832"	105.040801	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+ACN+2H"	43.041102
"194889"	379.05216	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+2Na-H"	44.97116
"630805"	546.09266	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+2Na-H"	44.97116
"1135037"	212.01166	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2Na-H"	44.97116
"179070"	190.029718	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+2Na"	45.978436
"619722"	273.549968	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+2Na"	45.978436
"1123228"	106.509468	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2Na"	45.978436
"1403471"	71.3420706666667	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H+2Na"	46.985712
"1432307"	214.053246	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H+HCOOH"	47.012746
"226376"	195.06274	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+3H2O+2H"	56.04448
"1516624"	228.10529	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+IsoProp+H"	61.06479
"414124"	198.016688	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+Na+K"	61.952376
"777307"	281.536938	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+Na+K"	61.952376
"1673641"	114.496438	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Na+K"	61.952376
"255788"	398.096768	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+ACN+Na"	64.015768
"1229589"	231.056268	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+ACN+Na"	64.015768
"1715559"	231.079793	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+NH4+HCOOH"	64.039293
"1182738"	78.6693846666667	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+3Na"	68.967654
"1657004"	236.035188	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Na+HCOOH"	68.994688
"160948"	411.00004	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+2K-H"	76.91904
"602331"	578.04054	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+2K-H"	76.91904
"1090124"	243.95954	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2K-H"	76.91904
"144388"	206.003658	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"2M+2K"	77.926316
"589787"	289.523908	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"3M+2K"	77.926316
"1073205"	122.483408	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2K"	77.926316
"1104226"	245.974092	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2K+H"	78.933592
"1348644"	246.061707	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+DMSO+H"	79.021207
"1017541"	250.100876	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2ACN+H"	83.060376
"1537123"	251.094508	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+IsoProp+Na+H"	84.054008
"1002477"	125.554076	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+2ACN+2H"	84.067652
"1600624"	252.009128	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+K+HCOOH"	84.968628
"1428109"	282.040638	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+H+CF3COOH"	115.000138
"1159489"	146.067351	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+3ACN+2H"	125.094202
"1706850"	299.067185	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+NH4+CF3COOH"	132.026685
"1646875"	304.02258	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+Na+CF3COOH"	136.98208
"1582525"	319.99652	"C03719"	"Phenylacetothiohydroximate"	"C8H9NOS"	"167.0405"	"M+K+CF3COOH"	152.95602
"812894"	167.0219	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M"	0
"985334"	148.00351	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-H2O-H"	-19.01839
"65920"	110.340657333333	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M-3H"	-3.021828
"508758"	166.014624	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M-3H"	-3.021828
"886564"	54.6666906666667	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-3H"	-3.021828
"1490"	166.014624	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M-2H"	-2.014552
"446885"	249.525574	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M-2H"	-2.014552
"822497"	82.503674	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-2H"	-2.014552
"82860"	333.036524	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M-H"	-1.007276
"523151"	500.058424	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M-H"	-1.007276
"899859"	166.014624	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-H"	-1.007276
"50962"	350.063071	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M-2H+NH4"	16.019271
"493802"	517.084971	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M-2H+NH4"	16.019271
"873792"	183.041171	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-2H+NH4"	16.019271
"39505"	355.018466	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M-2H+Na"	20.974666
"483442"	522.040366	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M-2H+Na"	20.974666
"854682"	187.996566	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-2H+Na"	20.974666
"1627493"	187.996566	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Na-2H"	20.974666
"100740"	184.002963	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M-H+Cl"	33.962126
"536654"	267.513913	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M-H+Cl"	33.962126
"933817"	100.492013	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-H+Cl"	33.962126
"274559"	369.013202	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+Cl"	34.969402
"663703"	536.035102	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+Cl"	34.969402
"1276105"	201.991302	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Cl"	34.969402
"19753"	370.992406	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M-2H+K"	36.948606
"471162"	538.014306	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M-2H+K"	36.948606
"848186"	203.970506	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-2H+K"	36.948606
"1570455"	203.970506	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+K-2H"	36.948606
"958440"	212.020094	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-H+HCOOH"	44.998194
"374001"	379.042001	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+HCOOH-H"	44.998201
"360682"	393.057651	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+Hac-H"	59.013851
"1501612"	226.035751	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Hac-H"	59.013851
"970245"	234.002051	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-H+NaCOOH"	66.980151
"118058"	201.991302	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+2Cl"	69.938804
"560900"	285.502252	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+2Cl"	69.938804
"1030790"	118.480352	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2Cl"	69.938804
"1250376"	245.940785	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Br"	78.918885
"1315012"	247.996772	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Cl+HCOOH"	80.974872
"1333242"	269.978729	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Cl+NaCOOH"	102.956829
"923935"	280.007486	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M-H+CF3COOH"	112.985586
"1303482"	315.984164	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Cl+CF3COOH"	148.962264
"1378804"	132.009224	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H-2H2O"	-35.012676
"1393749"	150.0192	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H-H2O"	-17.0027
"292341"	335.051076	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+H"	1.007276
"685128"	502.072976	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+H"	1.007276
"1366097"	168.029176	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H"	1.007276
"138380"	168.029176	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+2H"	2.014552
"574656"	251.540126	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+2H"	2.014552
"1047466"	84.518226	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2H"	2.014552
"213543"	112.355209333333	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+3H"	3.021828
"653105"	168.029176	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+3H"	3.021828
"1170136"	56.6812426666667	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+3H"	3.021828
"435602"	352.077623	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+NH4"	18.033823
"799880"	519.099523	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+NH4"	18.033823
"1696209"	185.055723	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+NH4"	18.033823
"339020"	176.5424495	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+H+NH4"	19.041099
"735451"	260.0533995	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+H+NH4"	19.041099
"1490731"	93.0314995	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H+NH4"	19.041099
"407223"	357.033018	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+Na"	22.989218
"768219"	524.054918	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+Na"	22.989218
"1617900"	190.011118	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Na"	22.989218
"329277"	179.020147	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+H+Na"	23.996494
"722426"	262.531097	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+H+Na"	23.996494
"1474786"	95.509197	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H+Na"	23.996494
"1066936"	64.0085566666667	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2H+Na"	25.00377
"1269711"	200.055386	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+CH3OH+H"	33.033486
"385005"	373.006958	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+K"	38.963158
"748187"	540.028858	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+K"	38.963158
"1548053"	205.985058	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+K"	38.963158
"308511"	187.007117	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+H+K"	39.970434
"703117"	270.518067	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+H+K"	39.970434
"1456940"	103.496167	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H+K"	39.970434
"247726"	376.077626	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+ACN+H"	42.033826
"1221528"	209.055726	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+ACN+H"	42.033826
"1203224"	105.031501	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+ACN+2H"	43.041102
"198283"	379.01496	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+2Na-H"	44.97116
"630308"	546.03686	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+2Na-H"	44.97116
"1136981"	211.99306	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2Na-H"	44.97116
"175898"	190.011118	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+2Na"	45.978436
"618737"	273.522068	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+2Na"	45.978436
"1117990"	106.500168	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2Na"	45.978436
"1405767"	71.3358706666667	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H+2Na"	46.985712
"1434602"	214.034646	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H+HCOOH"	47.012746
"226485"	195.04414	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+3H2O+2H"	56.04448
"1517829"	228.08669	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+IsoProp+H"	61.06479
"412410"	197.998088	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+Na+K"	61.952376
"778515"	281.509038	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+Na+K"	61.952376
"1672659"	114.487138	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Na+K"	61.952376
"261366"	398.059568	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+ACN+Na"	64.015768
"1231887"	231.037668	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+ACN+Na"	64.015768
"1717496"	231.061193	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+NH4+HCOOH"	64.039293
"1183944"	78.6631846666667	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+3Na"	68.967654
"1656022"	236.016588	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Na+HCOOH"	68.994688
"161788"	410.96284	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+2K-H"	76.91904
"602439"	577.98474	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+2K-H"	76.91904
"1087317"	243.94094	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2K-H"	76.91904
"151430"	205.985058	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"2M+2K"	77.926316
"585885"	289.496008	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"3M+2K"	77.926316
"1077690"	122.474108	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2K"	77.926316
"1112001"	245.955492	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2K+H"	78.933592
"1348759"	246.043107	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+DMSO+H"	79.021207
"1018747"	250.082276	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2ACN+H"	83.060376
"1537113"	251.075908	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+IsoProp+Na+H"	84.054008
"1003685"	125.544776	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+2ACN+2H"	84.067652
"1600740"	251.990528	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+K+HCOOH"	84.968628
"1427857"	282.022038	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+H+CF3COOH"	115.000138
"1162396"	146.058051	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+3ACN+2H"	125.094202
"1711337"	299.048585	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+NH4+CF3COOH"	132.026685
"1645893"	304.00398	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+Na+CF3COOH"	136.98208
"1582636"	319.97792	"C03722"	"Quinolinate;Pyridine-23-dicarboxylate;Quinolinic acid;23-Pyridinedicarboxylic acid"	"C7H5NO4"	"167.0219"	"M+K+CF3COOH"	152.95602
"804255"	877.1156	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M"	0
"978881"	858.09721	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-H2O-H"	-19.01839
"63843"	583.736457333333	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M-3H"	-3.021828
"503158"	876.108324	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M-3H"	-3.021828
"882300"	291.364590666667	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-3H"	-3.021828
"5247"	876.108324	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M-2H"	-2.014552
"445905"	1314.666124	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M-2H"	-2.014552
"821522"	437.550524	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-2H"	-2.014552
"80784"	1753.223924	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M-H"	-1.007276
"524356"	2630.339524	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M-H"	-1.007276
"898155"	876.108324	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-H"	-1.007276
"51072"	1770.250471	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M-2H+NH4"	16.019271
"493914"	2647.366071	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M-2H+NH4"	16.019271
"868435"	893.134871	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-2H+NH4"	16.019271
"36337"	1775.205866	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M-2H+Na"	20.974666
"482096"	2652.321466	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M-2H+Na"	20.974666
"858073"	898.090266	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-2H+Na"	20.974666
"1623232"	898.090266	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Na-2H"	20.974666
"103040"	894.096663	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M-H+Cl"	33.962126
"547708"	1332.654463	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M-H+Cl"	33.962126
"939763"	455.538863	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-H+Cl"	33.962126
"281238"	1789.200602	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+Cl"	34.969402
"670741"	2666.316202	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+Cl"	34.969402
"1278403"	912.085002	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Cl"	34.969402
"31019"	1791.179806	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M-2H+K"	36.948606
"471361"	2668.295406	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M-2H+K"	36.948606
"847443"	914.064206	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-2H+K"	36.948606
"1565097"	914.064206	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+K-2H"	36.948606
"955533"	922.113794	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-H+HCOOH"	44.998194
"374843"	1799.229401	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+HCOOH-H"	44.998201
"356539"	1813.245051	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+Hac-H"	59.013851
"1500630"	936.129451	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Hac-H"	59.013851
"967077"	944.095751	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-H+NaCOOH"	66.980151
"118169"	912.085002	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+2Cl"	69.938804
"555181"	1350.642802	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+2Cl"	69.938804
"1033826"	473.527202	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2Cl"	69.938804
"1255963"	956.034485	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Br"	78.918885
"1318778"	958.090472	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Cl+HCOOH"	80.974872
"1335521"	980.072429	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Cl+NaCOOH"	102.956829
"925507"	990.101186	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M-H+CF3COOH"	112.985586
"1301850"	1026.077864	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Cl+CF3COOH"	148.962264
"1382447"	842.102924	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H-2H2O"	-35.012676
"1396777"	860.1129	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H-H2O"	-17.0027
"296465"	1755.238476	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+H"	1.007276
"691306"	2632.354076	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+H"	1.007276
"1361226"	878.122876	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H"	1.007276
"134115"	878.122876	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+2H"	2.014552
"573676"	1316.680676	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+2H"	2.014552
"1042475"	439.565076	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2H"	2.014552
"210376"	585.751009333333	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+3H"	3.021828
"648843"	878.122876	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+3H"	3.021828
"1171345"	293.379142666667	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+3H"	3.021828
"434619"	1772.265023	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+NH4"	18.033823
"791240"	2649.380623	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+NH4"	18.033823
"1694868"	895.149423	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+NH4"	18.033823
"343510"	886.6361495	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+H+NH4"	19.041099
"735929"	1325.1939495	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+H+NH4"	19.041099
"1488655"	448.0783495	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H+NH4"	19.041099
"405148"	1777.220418	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+Na"	22.989218
"767239"	2654.336018	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+Na"	22.989218
"1609870"	900.104818	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Na"	22.989218
"325373"	889.113847	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+H+Na"	23.996494
"715608"	1327.671647	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+H+Na"	23.996494
"1472709"	450.556047	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H+Na"	23.996494
"1067046"	300.706456666667	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2H+Na"	25.00377
"1267635"	910.149086	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+CH3OH+H"	33.033486
"385116"	1793.194358	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+K"	38.963158
"746110"	2670.309958	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+K"	38.963158
"1547071"	916.078758	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+K"	38.963158
"305339"	897.100817	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+H+K"	39.970434
"701041"	1335.658617	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+H+K"	39.970434
"1451580"	458.543017	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H+K"	39.970434
"246743"	1796.265026	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+ACN+H"	42.033826
"1218358"	919.149426	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+ACN+H"	42.033826
"1198231"	460.078351	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+ACN+2H"	43.041102
"190007"	1799.20236	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+2Na-H"	44.97116
"631397"	2676.31796	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+2Na-H"	44.97116
"1137092"	922.08676	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2Na-H"	44.97116
"176007"	900.104818	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+2Na"	45.978436
"613987"	1338.662618	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+2Na"	45.978436
"1120168"	461.547018	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2Na"	45.978436
"1401870"	308.033770666667	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H+2Na"	46.985712
"1432526"	924.128346	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H+HCOOH"	47.012746
"233884"	905.13784	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+3H2O+2H"	56.04448
"1512472"	938.18039	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+IsoProp+H"	61.06479
"416539"	908.091788	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+Na+K"	61.952376
"774253"	1346.649588	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+Na+K"	61.952376
"1671676"	469.533988	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Na+K"	61.952376
"259288"	1818.246968	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+ACN+Na"	64.015768
"1230536"	941.131368	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+ACN+Na"	64.015768
"1716873"	941.154893	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+NH4+HCOOH"	64.039293
"1184412"	315.361084666667	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+3Na"	68.967654
"1654670"	946.110288	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Na+HCOOH"	68.994688
"161167"	1831.15024	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+2K-H"	76.91904
"601461"	2708.26584	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+2K-H"	76.91904
"1092539"	954.03464	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2K-H"	76.91904
"150447"	916.078758	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"2M+2K"	77.926316
"591102"	1354.636558	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"3M+2K"	77.926316
"1078902"	477.520958	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2K"	77.926316
"1111391"	956.049192	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2K+H"	78.933592
"1348506"	956.136807	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+DMSO+H"	79.021207
"1019951"	960.175976	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2ACN+H"	83.060376
"1535158"	961.169608	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+IsoProp+Na+H"	84.054008
"998325"	480.591626	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+2ACN+2H"	84.067652
"1601578"	962.084228	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+K+HCOOH"	84.968628
"1428331"	992.115738	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+H+CF3COOH"	115.000138
"1160804"	501.104901	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+3ACN+2H"	125.094202
"1712664"	1009.142285	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+NH4+CF3COOH"	132.026685
"1648192"	1014.09768	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+Na+CF3COOH"	136.98208
"1586027"	1030.07162	"C03724"	"S-(5-Hydroxy-2-furoyl)-CoA"	"C26H38N7O19P3S"	"877.1156"	"M+K+CF3COOH"	152.95602
"803272"	400.1069	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M"	0
"975711"	381.08851	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-H2O-H"	-19.01839
"62931"	265.730657333333	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M-3H"	-3.021828
"510073"	399.099624	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M-3H"	-3.021828
"886782"	132.361690666667	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-3H"	-3.021828
"2077"	399.099624	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M-2H"	-2.014552
"444922"	599.153074	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M-2H"	-2.014552
"823818"	199.046174	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-2H"	-2.014552
"81987"	799.206524	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M-H"	-1.007276
"526652"	1199.313424	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M-H"	-1.007276
"897901"	399.099624	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-H"	-1.007276
"47414"	816.233071	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M-2H+NH4"	16.019271
"487462"	1216.339971	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M-2H+NH4"	16.019271
"868544"	416.126171	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-2H+NH4"	16.019271
"37540"	821.188466	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M-2H+Na"	20.974666
"483299"	1221.295366	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M-2H+Na"	20.974666
"858183"	421.081566	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-2H+Na"	20.974666
"1625529"	421.081566	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Na-2H"	20.974666
"103150"	417.087963	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M-H+Cl"	33.962126
"547454"	617.141413	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M-H+Cl"	33.962126
"939873"	217.034513	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-H+Cl"	33.962126
"281712"	835.183202	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+Cl"	34.969402
"670123"	1235.290102	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+Cl"	34.969402
"1280699"	435.076302	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Cl"	34.969402
"29830"	837.162406	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M-2H+K"	36.948606
"471053"	1237.269306	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M-2H+K"	36.948606
"847189"	437.055506	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-2H+K"	36.948606
"1565936"	437.055506	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+K-2H"	36.948606
"956009"	445.105094	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-H+HCOOH"	44.998194
"372764"	845.212001	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+HCOOH-H"	44.998201
"357742"	859.227651	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+Hac-H"	59.013851
"1497825"	459.120751	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Hac-H"	59.013851
"964634"	467.087051	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-H+NaCOOH"	66.980151
"116459"	435.076302	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+2Cl"	69.938804
"564415"	635.129752	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+2Cl"	69.938804
"1035034"	235.022852	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2Cl"	69.938804
"1252429"	479.025785	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Br"	78.918885
"1314146"	481.081772	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Cl+HCOOH"	80.974872
"1328362"	503.063729	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Cl+NaCOOH"	102.956829
"926225"	513.092486	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M-H+CF3COOH"	112.985586
"1303053"	549.069164	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Cl+CF3COOH"	148.962264
"1381947"	365.094224	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H-2H2O"	-35.012676
"1393607"	383.1042	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H-H2O"	-17.0027
"294751"	801.221076	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+H"	1.007276
"690090"	1201.327976	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+H"	1.007276
"1364618"	401.114176	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H"	1.007276
"137507"	401.114176	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+2H"	2.014552
"571599"	601.167626	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+2H"	2.014552
"1045865"	201.060726	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2H"	2.014552
"210486"	267.745209333333	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+3H"	3.021828
"650047"	401.114176	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+3H"	3.021828
"1171455"	134.376242666667	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+3H"	3.021828
"434729"	818.247623	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+NH4"	18.033823
"791350"	1218.354523	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+NH4"	18.033823
"1693884"	418.140723	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+NH4"	18.033823
"342891"	409.6274495	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+H+NH4"	19.041099
"733853"	609.6808995	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+H+NH4"	19.041099
"1488765"	209.5739995	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H+NH4"	19.041099
"404165"	823.203018	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+Na"	22.989218
"764069"	1223.309918	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+Na"	22.989218
"1609980"	423.096118	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Na"	22.989218
"324390"	412.105147	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+H+Na"	23.996494
"718998"	612.158597	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+H+Na"	23.996494
"1472817"	212.051697	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H+Na"	23.996494
"1062782"	141.703556666667	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2H+Na"	25.00377
"1264463"	433.140386	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+CH3OH+H"	33.033486
"383038"	839.176958	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+K"	38.963158
"749500"	1239.283858	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+K"	38.963158
"1546087"	439.070058	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+K"	38.963158
"306542"	420.092117	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+H+K"	39.970434
"701151"	620.145567	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+H+K"	39.970434
"1452783"	220.038667	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H+K"	39.970434
"245760"	842.247626	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+ACN+H"	42.033826
"1218468"	442.140726	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+ACN+H"	42.033826
"1203445"	221.574001	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+ACN+2H"	43.041102
"190238"	845.18496	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+2Na-H"	44.97116
"633695"	1245.29186	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+2Na-H"	44.97116
"1134286"	445.07806	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2Na-H"	44.97116
"172861"	423.096118	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+2Na"	45.978436
"616042"	623.149568	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+2Na"	45.978436
"1118455"	223.042668	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2Na"	45.978436
"1401980"	149.030870666667	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H+2Na"	46.985712
"1433000"	447.119646	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H+HCOOH"	47.012746
"231078"	428.12914	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+3H2O+2H"	56.04448
"1511488"	461.17169	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+IsoProp+H"	61.06479
"413733"	431.083088	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+Na+K"	61.952376
"775820"	631.136538	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+Na+K"	61.952376
"1671786"	231.029638	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Na+K"	61.952376
"259398"	864.229568	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+ACN+Na"	64.015768
"1228823"	464.122668	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+ACN+Na"	64.015768
"1716618"	464.146193	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+NH4+HCOOH"	64.039293
"1183794"	156.358184666667	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+3Na"	68.967654
"1653686"	469.101588	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Na+HCOOH"	68.994688
"160911"	877.13284	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+2K-H"	76.91904
"602665"	1277.23974	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+2K-H"	76.91904
"1093742"	477.02594	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2K-H"	76.91904
"150557"	439.070058	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"2M+2K"	77.926316
"592305"	639.123508	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"3M+2K"	77.926316
"1079012"	239.016608	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2K"	77.926316
"1112960"	479.040492	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2K+H"	78.933592
"1349953"	479.128107	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+DMSO+H"	79.021207
"1019941"	483.167276	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2ACN+H"	83.060376
"1536727"	484.160908	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+IsoProp+Na+H"	84.054008
"1001715"	242.087276	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+2ACN+2H"	84.067652
"1599499"	485.075528	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+K+HCOOH"	84.968628
"1429168"	515.107038	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+H+CF3COOH"	115.000138
"1160914"	262.600551	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+3ACN+2H"	125.094202
"1711558"	532.133585	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+NH4+CF3COOH"	132.026685
"1649031"	537.08898	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+Na+CF3COOH"	136.98208
"1586137"	553.06292	"C03725"	"S-Acetylphosphopantetheine"	"C13H25N2O8PS"	"400.1069"	"M+K+CF3COOH"	152.95602
"803383"	179.0252	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M"	0
"974557"	160.00681	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-H2O-H"	-19.01839
"63181"	118.342857333333	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M-3H"	-3.021828
"503249"	178.017924	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M-3H"	-3.021828
"882519"	58.6677906666667	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-3H"	-3.021828
"8753"	178.017924	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M-2H"	-2.014552
"446130"	267.530524	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M-2H"	-2.014552
"823931"	88.505324	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-2H"	-2.014552
"86112"	357.043124	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M-H"	-1.007276
"523492"	536.068324	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M-H"	-1.007276
"895818"	178.017924	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-H"	-1.007276
"48134"	374.069671	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M-2H+NH4"	16.019271
"488668"	553.094871	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M-2H+NH4"	16.019271
"873032"	195.044471	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-2H+NH4"	16.019271
"37651"	379.025066	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M-2H+Na"	20.974666
"483775"	558.050266	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M-2H+Na"	20.974666
"859386"	199.999866	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-2H+Na"	20.974666
"1628558"	199.999866	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Na-2H"	20.974666
"107641"	196.006263	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M-H+Cl"	33.962126
"549273"	285.518863	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M-H+Cl"	33.962126
"941816"	106.493663	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-H+Cl"	33.962126
"280731"	393.019802	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+Cl"	34.969402
"670962"	572.045002	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+Cl"	34.969402
"1287751"	213.994602	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Cl"	34.969402
"30308"	394.999006	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M-2H+K"	36.948606
"465125"	574.024206	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M-2H+K"	36.948606
"839645"	215.973806	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-2H+K"	36.948606
"1565321"	215.973806	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+K-2H"	36.948606
"953202"	224.023394	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-H+HCOOH"	44.998194
"368137"	403.048601	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+HCOOH-H"	44.998201
"355300"	417.064251	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+Hac-H"	59.013851
"1500851"	238.039051	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Hac-H"	59.013851
"967296"	246.005351	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-H+NaCOOH"	66.980151
"119126"	213.994602	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+2Cl"	69.938804
"563064"	303.507202	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+2Cl"	69.938804
"1031135"	124.482002	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2Cl"	69.938804
"1253631"	257.944085	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Br"	78.918885
"1318996"	260.000072	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Cl+HCOOH"	80.974872
"1334305"	281.982029	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Cl+NaCOOH"	102.956829
"925971"	292.010786	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M-H+CF3COOH"	112.985586
"1303407"	327.987464	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Cl+CF3COOH"	148.962264
"1382057"	144.012524	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H-2H2O"	-35.012676
"1395175"	162.0225	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H-H2O"	-17.0027
"295960"	359.057676	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+H"	1.007276
"689111"	538.082876	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+H"	1.007276
"1363997"	180.032476	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H"	1.007276
"139801"	180.032476	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+2H"	2.014552
"573894"	269.545076	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+2H"	2.014552
"1042695"	90.519876	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2H"	2.014552
"210596"	120.357409333333	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+3H"	3.021828
"655631"	180.032476	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+3H"	3.021828
"1174850"	60.6823426666667	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+3H"	3.021828
"434840"	376.084223	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+NH4"	18.033823
"799483"	555.109423	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+NH4"	18.033823
"1691081"	197.059023	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+NH4"	18.033823
"333524"	188.5457495	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+H+NH4"	19.041099
"730682"	278.0583495	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+H+NH4"	19.041099
"1482317"	99.0331495	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H+NH4"	19.041099
"398811"	381.039618	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+Na"	22.989218
"758712"	560.064818	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+Na"	22.989218
"1610091"	202.014418	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Na"	22.989218
"326687"	191.023447	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+H+Na"	23.996494
"711455"	280.536047	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+H+Na"	23.996494
"1471835"	101.510847	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H+Na"	23.996494
"1058521"	68.0096566666667	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2H+Na"	25.00377
"1259471"	212.058686	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+CH3OH+H"	33.033486
"383148"	397.013558	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+K"	38.963158
"743051"	576.038758	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+K"	38.963158
"1545103"	217.988358	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+K"	38.963158
"305559"	199.010417	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+H+K"	39.970434
"699073"	288.523017	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+H+K"	39.970434
"1455081"	109.497817	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H+K"	39.970434
"245871"	400.084226	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+ACN+H"	42.033826
"1213111"	221.059026	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+ACN+H"	42.033826
"1198452"	111.033151	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+ACN+2H"	43.041102
"192423"	403.02156	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+2Na-H"	44.97116
"635996"	582.04676	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+2Na-H"	44.97116
"1136220"	223.99636	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2Na-H"	44.97116
"173798"	202.014418	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+2Na"	45.978436
"615425"	291.527018	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+2Na"	45.978436
"1121118"	112.501818	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2Na"	45.978436
"1402089"	75.3369706666667	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H+2Na"	46.985712
"1432746"	226.037946	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H+HCOOH"	47.012746
"223903"	207.04744	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+3H2O+2H"	56.04448
"1521448"	240.08999	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+IsoProp+H"	61.06479
"418946"	210.001388	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+Na+K"	61.952376
"778847"	299.513988	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+Na+K"	61.952376
"1671896"	120.488788	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Na+K"	61.952376
"256230"	422.066168	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+ACN+Na"	64.015768
"1230033"	243.040968	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+ACN+Na"	64.015768
"1716365"	243.064493	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+NH4+HCOOH"	64.039293
"1183540"	82.6642846666667	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+3Na"	68.967654
"1655253"	248.019888	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Na+HCOOH"	68.994688
"159568"	434.96944	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+2K-H"	76.91904
"601685"	613.99464	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+2K-H"	76.91904
"1087289"	255.94424	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2K-H"	76.91904
"145200"	217.988358	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"2M+2K"	77.926316
"593513"	307.500958	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"3M+2K"	77.926316
"1081684"	128.475758	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2K"	77.926316
"1113434"	257.958792	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2K+H"	78.933592
"1349819"	258.046407	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+DMSO+H"	79.021207
"1020660"	262.085576	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2ACN+H"	83.060376
"1535014"	263.079208	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+IsoProp+Na+H"	84.054008
"1001098"	131.546426	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+2ACN+2H"	84.067652
"1601798"	263.993828	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+K+HCOOH"	84.968628
"1427454"	294.025338	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+H+CF3COOH"	115.000138
"1160659"	152.059701	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+3ACN+2H"	125.094202
"1708386"	311.051885	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+NH4+CF3COOH"	132.026685
"1644036"	316.00728	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+Na+CF3COOH"	136.98208
"1576406"	331.98122	"C03727"	"S-Carboxymethyl-L-cysteine;L-Carbocisteine"	"C5H9NO4S"	"179.0252"	"M+K+CF3COOH"	152.95602
"802399"	661.232	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M"	0
"977026"	642.21361	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-H2O-H"	-19.01839
"63562"	439.814057333333	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M-3H"	-3.021828
"504825"	660.224724	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M-3H"	-3.021828
"894303"	219.403390666667	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-3H"	-3.021828
"11056"	660.224724	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H"	-2.014552
"449522"	990.840724	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H"	-2.014552
"826962"	329.608724	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H"	-2.014552
"94015"	1321.456724	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M-H"	-1.007276
"526883"	1982.688724	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M-H"	-1.007276
"907237"	660.224724	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-H"	-1.007276
"58333"	1338.483271	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H+NH4"	16.019271
"497528"	1999.715271	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H+NH4"	16.019271
"876789"	677.251271	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H+NH4"	16.019271
"45177"	1343.438666	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H+Na"	20.974666
"484978"	2004.670666	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H+Na"	20.974666
"862416"	682.206666	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H+Na"	20.974666
"1633410"	682.206666	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na-2H"	20.974666
"109823"	678.213063	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M-H+Cl"	33.962126
"549896"	1008.829063	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M-H+Cl"	33.962126
"942536"	347.597063	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+Cl"	33.962126
"281570"	1357.433402	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Cl"	34.969402
"675094"	2018.665402	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+Cl"	34.969402
"1287986"	696.201402	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl"	34.969402
"29688"	1359.412606	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M-2H+K"	36.948606
"465236"	2020.644606	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M-2H+K"	36.948606
"846319"	698.180606	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-2H+K"	36.948606
"1568715"	698.180606	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+K-2H"	36.948606
"952222"	706.230194	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+HCOOH"	44.998194
"371530"	1367.462201	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+HCOOH-H"	44.998201
"359059"	1381.477851	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Hac-H"	59.013851
"1505340"	720.245851	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Hac-H"	59.013851
"969605"	728.212151	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+NaCOOH"	66.980151
"120701"	696.201402	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2Cl"	69.938804
"559168"	1026.817402	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2Cl"	69.938804
"1034164"	365.585402	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2Cl"	69.938804
"1251554"	740.150885	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Br"	78.918885
"1312179"	742.206872	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl+HCOOH"	80.974872
"1332956"	764.188829	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl+NaCOOH"	102.956829
"926690"	774.217586	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M-H+CF3COOH"	112.985586
"1303154"	810.194264	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Cl+CF3COOH"	148.962264
"1380954"	626.219324	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H-2H2O"	-35.012676
"1397111"	644.2293	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H-H2O"	-17.0027
"298178"	1323.471276	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H"	1.007276
"684117"	1984.703276	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H"	1.007276
"1364838"	662.239276	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H"	1.007276
"134445"	662.239276	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2H"	2.014552
"574007"	992.855276	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2H"	2.014552
"1041712"	331.623276	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2H"	2.014552
"217273"	441.828609333333	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+3H"	3.021828
"654649"	662.239276	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+3H"	3.021828
"1176054"	221.417942666667	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+3H"	3.021828
"436043"	1340.497823	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+NH4"	18.033823
"799230"	2001.729823	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+NH4"	18.033823
"1687909"	679.265823	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+NH4"	18.033823
"331811"	670.7525495	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H+NH4"	19.041099
"724961"	1001.3685495	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H+NH4"	19.041099
"1482791"	340.1365495	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+NH4"	19.041099
"396731"	1345.453218	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Na"	22.989218
"757361"	2006.685218	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+Na"	22.989218
"1606552"	684.221218	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na"	22.989218
"324610"	673.230247	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H+Na"	23.996494
"712658"	1003.846247	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H+Na"	23.996494
"1465387"	342.614247	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+Na"	23.996494
"1056079"	228.745256666667	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2H+Na"	25.00377
"1260309"	694.265486	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+CH3OH+H"	33.033486
"378640"	1361.427158	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+K"	38.963158
"740607"	2022.659158	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+K"	38.963158
"1542299"	700.195158	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+K"	38.963158
"304576"	681.217217	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+H+K"	39.970434
"700278"	1011.833217	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+H+K"	39.970434
"1454097"	350.601217	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+K"	39.970434
"238324"	1364.497826	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+ACN+H"	42.033826
"1213222"	703.265826	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+ACN+H"	42.033826
"1200027"	352.136551	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+ACN+2H"	43.041102
"200560"	1367.43516	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2Na-H"	44.97116
"637201"	2028.66716	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2Na-H"	44.97116
"1142892"	706.20316	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2Na-H"	44.97116
"181810"	684.221218	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2Na"	45.978436
"622465"	1014.837218	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2Na"	45.978436
"1122686"	353.605218	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2Na"	45.978436
"1401471"	236.072570666667	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+2Na"	46.985712
"1436504"	708.244746	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+HCOOH"	47.012746
"235083"	689.25424	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+3H2O+2H"	56.04448
"1518278"	722.29679	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+IsoProp+H"	61.06479
"415776"	692.208188	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+Na+K"	61.952376
"776769"	1022.824188	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+Na+K"	61.952376
"1672011"	361.592188	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na+K"	61.952376
"261811"	1386.479768	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+ACN+Na"	64.015768
"1231238"	725.247768	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+ACN+Na"	64.015768
"1715748"	725.271293	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+NH4+HCOOH"	64.039293
"1182194"	243.399884666667	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+3Na"	68.967654
"1651361"	730.226688	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na+HCOOH"	68.994688
"164425"	1399.38304	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2K-H"	76.91904
"606171"	2060.61504	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2K-H"	76.91904
"1090680"	738.15104	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2K-H"	76.91904
"154067"	700.195158	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"2M+2K"	77.926316
"594367"	1030.811158	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"3M+2K"	77.926316
"1082526"	369.579158	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2K"	77.926316
"1112817"	740.165592	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2K+H"	78.933592
"1347743"	740.253207	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+DMSO+H"	79.021207
"1015179"	744.292376	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2ACN+H"	83.060376
"1536949"	745.286008	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+IsoProp+Na+H"	84.054008
"1000843"	372.649826	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+2ACN+2H"	84.067652
"1602276"	746.200628	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+K+HCOOH"	84.968628
"1429387"	776.232138	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+H+CF3COOH"	115.000138
"1157852"	393.163101	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+3ACN+2H"	125.094202
"1706308"	793.258685	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+NH4+CF3COOH"	132.026685
"1644145"	798.21408	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+Na+CF3COOH"	136.98208
"1576518"	814.18802	"C03731"	"Streptomycin 3-phosphate"	"C21H40N7O15P"	"661.232"	"M+K+CF3COOH"	152.95602
"803968"	566.055	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M"	0
"975071"	547.03661	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-H2O-H"	-19.01839
"63009"	376.362724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M-3H"	-3.021828
"504934"	565.047724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M-3H"	-3.021828
"888212"	187.677724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-3H"	-3.021828
"12257"	565.047724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M-2H"	-2.014552
"446352"	848.075224	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M-2H"	-2.014552
"829623"	282.020224	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-2H"	-2.014552
"84151"	1131.102724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M-H"	-1.007276
"526993"	1697.157724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M-H"	-1.007276
"905888"	565.047724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-H"	-1.007276
"58807"	1148.129271	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M-2H+NH4"	16.019271
"498730"	1714.184271	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M-2H+NH4"	16.019271
"871063"	582.074271	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-2H+NH4"	16.019271
"38964"	1153.084666	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M-2H+Na"	20.974666
"484723"	1719.139666	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M-2H+Na"	20.974666
"858515"	587.029666	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-2H+Na"	20.974666
"1633238"	587.029666	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Na-2H"	20.974666
"108224"	583.036063	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M-H+Cl"	33.962126
"549695"	866.063563	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M-H+Cl"	33.962126
"941795"	300.008563	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-H+Cl"	33.962126
"281436"	1167.079402	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+Cl"	34.969402
"673381"	1733.134402	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+Cl"	34.969402
"1287243"	601.024402	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Cl"	34.969402
"30040"	1169.058606	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M-2H+K"	36.948606
"463159"	1735.113606	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M-2H+K"	36.948606
"845335"	603.003606	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-2H+K"	36.948606
"1569553"	603.003606	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+K-2H"	36.948606
"951239"	611.053194	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-H+HCOOH"	44.998194
"368360"	1177.108201	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+HCOOH-H"	44.998201
"355160"	1191.123851	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+Hac-H"	59.013851
"1505450"	625.068851	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Hac-H"	59.013851
"969715"	633.035151	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-H+NaCOOH"	66.980151
"120811"	601.024402	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+2Cl"	69.938804
"555998"	884.051902	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+2Cl"	69.938804
"1030994"	317.996902	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2Cl"	69.938804
"1252028"	644.973885	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Br"	78.918885
"1315569"	647.029872	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Cl+HCOOH"	80.974872
"1335337"	669.011829	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Cl+NaCOOH"	102.956829
"927007"	679.040586	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M-H+CF3COOH"	112.985586
"1301561"	715.017264	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Cl+CF3COOH"	148.962264
"1380086"	531.042324	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H-2H2O"	-35.012676
"1391021"	549.0523	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H-H2O"	-17.0027
"297271"	1133.117276	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+H"	1.007276
"686414"	1699.172276	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+H"	1.007276
"1361668"	567.062276	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H"	1.007276
"134555"	567.062276	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+2H"	2.014552
"574118"	850.089776	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+2H"	2.014552
"1040729"	284.034776	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2H"	2.014552
"217383"	378.377276	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+3H"	3.021828
"654759"	567.062276	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+3H"	3.021828
"1175071"	189.692276	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+3H"	3.021828
"436153"	1150.143823	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+NH4"	18.033823
"798244"	1716.198823	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+NH4"	18.033823
"1691297"	584.088823	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+NH4"	18.033823
"335566"	575.5755495	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+H+NH4"	19.041099
"727985"	858.6030495	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+H+NH4"	19.041099
"1482902"	292.5480495	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H+NH4"	19.041099
"399029"	1155.099218	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+Na"	22.989218
"758930"	1721.154218	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+Na"	22.989218
"1610309"	589.044218	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Na"	22.989218
"322533"	578.053247	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+H+Na"	23.996494
"710580"	861.080747	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+H+Na"	23.996494
"1465495"	295.025747	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H+Na"	23.996494
"1054123"	197.01959	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2H+Na"	25.00377
"1258960"	599.088486	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+CH3OH+H"	33.033486
"380453"	1171.073158	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+K"	38.963158
"744364"	1737.128158	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+K"	38.963158
"1544230"	605.018158	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+K"	38.963158
"307965"	586.040217	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+H+K"	39.970434
"698201"	869.067717	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+H+K"	39.970434
"1452020"	303.012717	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H+K"	39.970434
"236971"	1174.143826	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+ACN+H"	42.033826
"1212238"	608.088826	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+ACN+H"	42.033826
"1197951"	304.548051	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+ACN+2H"	43.041102
"199940"	1177.08116	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+2Na-H"	44.97116
"640591"	1743.13616	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+2Na-H"	44.97116
"1143002"	611.02616	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2Na-H"	44.97116
"184108"	589.044218	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+2Na"	45.978436
"624762"	872.071718	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+2Na"	45.978436
"1122796"	306.016718	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2Na"	45.978436
"1401581"	204.346904	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H+2Na"	46.985712
"1434062"	613.067746	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H+HCOOH"	47.012746
"235191"	594.07724	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+3H2O+2H"	56.04448
"1518388"	627.11979	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+IsoProp+H"	61.06479
"421353"	597.031188	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+Na+K"	61.952376
"777973"	880.058688	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+Na+K"	61.952376
"1675401"	314.003688	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Na+K"	61.952376
"258641"	1196.125768	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+ACN+Na"	64.015768
"1229889"	630.070768	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+ACN+Na"	64.015768
"1715129"	630.094293	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+NH4+HCOOH"	64.039293
"1181210"	211.674218	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+3Na"	68.967654
"1651592"	635.049688	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Na+HCOOH"	68.994688
"167815"	1209.02904	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+2K-H"	76.91904
"604094"	1775.08404	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+2K-H"	76.91904
"1087511"	642.97404	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2K-H"	76.91904
"154173"	605.018158	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"2M+2K"	77.926316
"595695"	888.045658	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"3M+2K"	77.926316
"1080446"	321.990658	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2K"	77.926316
"1110373"	644.988592	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2K+H"	78.933592
"1348946"	645.076207	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+DMSO+H"	79.021207
"1016382"	649.115376	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2ACN+H"	83.060376
"1536693"	650.109008	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+IsoProp+Na+H"	84.054008
"1001683"	325.061326	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+2ACN+2H"	84.067652
"1601901"	651.023628	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+K+HCOOH"	84.968628
"1429500"	681.055138	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+H+CF3COOH"	115.000138
"1160149"	345.574601	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+3ACN+2H"	125.094202
"1706418"	698.081685	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+NH4+CF3COOH"	132.026685
"1644255"	703.03708	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+Na+CF3COOH"	136.98208
"1576628"	719.01102	"C03733"	"UDP-alpha-D-galactofuranose;UDP-alpha-D-galacto-14-furanose;UDP-D-galacto-14-furanose"	"C15H24N2O17P2"	"566.055"	"M+K+CF3COOH"	152.95602
"801891"	227.0195	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M"	0
"974240"	208.00111	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H2O-H"	-19.01839
"62965"	150.339057333333	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-3H"	-3.021828
"505045"	226.012224	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-3H"	-3.021828
"888322"	74.6658906666667	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-3H"	-3.021828
"12367"	226.012224	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H"	-2.014552
"449742"	339.521974	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H"	-2.014552
"830463"	112.502474	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H"	-2.014552
"86448"	453.031724	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-H"	-1.007276
"523823"	680.051224	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-H"	-1.007276
"901624"	226.012224	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H"	-1.007276
"58917"	470.058271	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+NH4"	16.019271
"497747"	697.077771	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+NH4"	16.019271
"873360"	243.038771	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+NH4"	16.019271
"42354"	475.013666	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+Na"	20.974666
"481916"	702.033166	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+Na"	20.974666
"860812"	247.994166	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+Na"	20.974666
"1633877"	247.994166	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na-2H"	20.974666
"109970"	244.000563	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-H+Cl"	33.962126
"549722"	357.510313	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-H+Cl"	33.962126
"942594"	130.490813	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+Cl"	33.962126
"282152"	489.008402	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Cl"	34.969402
"675075"	716.027902	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+Cl"	34.969402
"1288207"	261.988902	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl"	34.969402
"30271"	490.987606	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+K"	36.948606
"464363"	718.007106	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+K"	36.948606
"846904"	263.968106	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+K"	36.948606
"1568572"	263.968106	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K-2H"	36.948606
"953536"	272.017694	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+HCOOH"	44.998194
"371387"	499.037201	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+HCOOH-H"	44.998201
"359280"	513.052851	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Hac-H"	59.013851
"1508358"	286.033351	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Hac-H"	59.013851
"972012"	293.999651	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+NaCOOH"	66.980151
"122014"	261.988902	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Cl"	69.938804
"559388"	375.498652	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Cl"	69.938804
"1033291"	148.479152	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2Cl"	69.938804
"1255420"	305.938385	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Br"	78.918885
"1317138"	307.994372	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+HCOOH"	80.974872
"1332810"	329.976329	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+NaCOOH"	102.956829
"926182"	340.005086	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+CF3COOH"	112.985586
"1300578"	375.981764	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+CF3COOH"	148.962264
"1380561"	192.006824	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H-2H2O"	-35.012676
"1391131"	210.0168	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H-H2O"	-17.0027
"296288"	455.046276	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H"	1.007276
"690411"	682.065776	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H"	1.007276
"1361778"	228.026776	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H"	1.007276
"133573"	228.026776	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2H"	2.014552
"570948"	341.536526	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2H"	2.014552
"1037924"	114.517026	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2H"	2.014552
"215309"	152.353609333333	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+3H"	3.021828
"655601"	228.026776	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+3H"	3.021828
"1176639"	76.6804426666667	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+3H"	3.021828
"435171"	472.072823	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+NH4"	18.033823
"799448"	699.092323	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+NH4"	18.033823
"1692500"	245.053323	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4"	18.033823
"337501"	236.5400495	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+NH4"	19.041099
"729189"	350.0497995	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+NH4"	19.041099
"1482648"	123.0302995	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+NH4"	19.041099
"398046"	477.028218	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Na"	22.989218
"761228"	704.047718	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+Na"	22.989218
"1609326"	250.008718	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na"	22.989218
"323737"	239.017747	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+Na"	23.996494
"712512"	352.527497	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+Na"	23.996494
"1469980"	125.507997	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+Na"	23.996494
"1058853"	84.0077566666667	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2H+Na"	25.00377
"1264906"	260.052986	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+CH3OH+H"	33.033486
"384573"	493.002158	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+K"	38.963158
"747755"	720.021658	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+K"	38.963158
"1546526"	265.982658	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K"	38.963158
"305888"	247.004717	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+K"	39.970434
"699404"	360.514467	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+K"	39.970434
"1449943"	133.494967	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+K"	39.970434
"236720"	496.072826	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+ACN+H"	42.033826
"1211249"	269.053326	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+H"	42.033826
"1203164"	135.030301	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+2H"	43.041102
"196770"	499.01016	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Na-H"	44.97116
"637420"	726.02966	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Na-H"	44.97116
"1137279"	271.99066	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2Na-H"	44.97116
"184217"	250.008718	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Na"	45.978436
"622318"	363.518468	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Na"	45.978436
"1117801"	136.498968	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2Na"	45.978436
"1400598"	91.3350706666667	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+2Na"	46.985712
"1430523"	274.032246	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+HCOOH"	47.012746
"232622"	255.04174	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+3H2O+2H"	56.04448
"1522873"	288.08429	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+IsoProp+H"	61.06479
"415995"	257.995688	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Na+K"	61.952376
"776989"	371.505438	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+Na+K"	61.952376
"1674418"	144.485938	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+K"	61.952376
"256928"	518.054768	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+ACN+Na"	64.015768
"1231457"	291.035268	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+Na"	64.015768
"1714509"	291.058793	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4+HCOOH"	64.039293
"1179497"	98.6623846666667	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+3Na"	68.967654
"1650606"	296.014188	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+HCOOH"	68.994688
"165739"	530.95804	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2K-H"	76.91904
"603475"	757.97754	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2K-H"	76.91904
"1086528"	303.93854	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2K-H"	76.91904
"154283"	265.982658	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2K"	77.926316
"595440"	379.492408	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2K"	77.926316
"1081650"	152.472908	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2K"	77.926316
"1112306"	305.953092	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2K+H"	78.933592
"1349786"	306.040707	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+DMSO+H"	79.021207
"1018679"	310.079876	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2ACN+H"	83.060376
"1538990"	311.073508	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+IsoProp+Na+H"	84.054008
"1004591"	155.543576	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2ACN+2H"	84.067652
"1602374"	311.988128	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K+HCOOH"	84.968628
"1429736"	342.019638	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+CF3COOH"	115.000138
"1159166"	176.056851	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+3ACN+2H"	125.094202
"1708715"	359.046185	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4+CF3COOH"	132.026685
"1644365"	364.00158	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+CF3COOH"	136.98208
"1576738"	379.97552	"C03734"	"alpha-D-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K+CF3COOH"	152.95602
"804917"	260.0297	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"974602"	241.01131	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"64504"	172.345857333333	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"506249"	259.022424	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"880777"	85.6692906666667	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"9196"	259.022424	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"443292"	389.037274	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"828750"	129.007574	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"86558"	519.052124	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"523933"	779.081824	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"901734"	259.022424	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"59391"	536.078671	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"495670"	796.108371	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"871283"	276.048971	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"38090"	541.034066	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"480933"	801.063766	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"855455"	281.004366	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1633954"	281.004366	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"109971"	277.010763	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"549838"	407.025613	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"942249"	146.995913	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"280438"	555.028802	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"675472"	815.058502	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1288194"	294.999102	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"28193"	557.008006	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"468846"	817.037706	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"845555"	296.978306	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1570138"	296.978306	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"953646"	305.027894	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"369674"	565.057601	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"358662"	579.073251	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1507129"	319.043551	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"973094"	327.009851	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"122124"	294.999102	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"559498"	425.013952	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1028298"	164.984252	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1254800"	338.948585	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1318706"	341.004572	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1332921"	362.986529	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"926939"	373.015286	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1300324"	408.991964	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1379942"	225.017024	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1387960"	243.027	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"294211"	521.066676	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"690521"	781.096376	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1359701"	261.036976	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"133683"	261.036976	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"571058"	391.051826	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1038398"	131.022126	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"204465"	174.360409333333	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"656075"	261.036976	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1175779"	87.6838426666667	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"435281"	538.093223	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"799558"	798.122923	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1692610"	278.063523	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"335785"	269.5502495	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"725653"	399.5650995	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1480568"	139.5353995	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"396696"	543.048618	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"758784"	803.078318	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1616846"	283.018918	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"322752"	272.027947	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"718455"	402.042797	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1468997"	142.013097	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1060056"	95.0111566666667	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1261733"	293.063186	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"383590"	559.022558	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"744584"	819.052258	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1546636"	298.992858	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"303811"	280.014917	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"696232"	410.029767	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1446771"	150.000067	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"236829"	562.093226	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1210750"	302.063526	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1195983"	151.535401	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"198702"	565.03056	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"637894"	825.06026	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1135202"	305.00086	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"183233"	283.018918	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"621700"	413.033768	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1119371"	153.004068	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1401801"	102.338470666667	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1430067"	307.042446	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"233825"	288.05194	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1522618"	321.09449	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"416105"	291.005888	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"778192"	421.020738	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1672341"	160.991038	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"256672"	584.075168	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1228285"	324.045468	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1713644"	324.068993	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1180088"	109.665784666667	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1650271"	329.024388	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"165849"	596.97844	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"602492"	857.00814	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1086638"	336.94874	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"152206"	298.992858	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"596157"	429.007708	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1083219"	168.978008	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1113508"	338.963292	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1350139"	339.050907	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1020246"	343.090076	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1538005"	344.083708	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1004453"	172.048676	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1601872"	344.998328	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1429232"	375.029838	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1160368"	192.561951	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1706638"	392.056385	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1639008"	397.01178	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1576848"	412.98572	"C03735"	"alpha-D-Hexose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"803934"	230.0192	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"976373"	211.00081	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"63396"	152.338857333333	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"504172"	229.011924	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"880522"	75.6657906666667	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"9306"	229.011924	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"446681"	344.021524	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"828132"	114.002324	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"86668"	459.031124	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"524043"	689.050324	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"904030"	229.011924	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"61202"	476.057671	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"495780"	706.076871	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"868113"	246.038471	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"34920"	481.013066	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"481043"	711.032266	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"853378"	250.993866	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1633610"	250.993866	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"108191"	247.000263	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"548601"	362.009863	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"941753"	131.990663	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"280427"	495.007802	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"675641"	725.027002	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1287570"	264.988602	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"27210"	496.987006	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"466770"	727.006206	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"843478"	266.967806	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1565872"	266.967806	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"951569"	275.017394	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"369784"	505.036601	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"356219"	519.052251	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1503959"	289.033051	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"970045"	296.999351	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"121141"	264.988602	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"559608"	379.998202	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1028408"	149.979002	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1253817"	308.938085	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1317358"	310.994072	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1331938"	332.976029	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"926886"	343.004786	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1300798"	378.981464	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1379688"	195.006524	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1389163"	213.0165	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"295414"	461.045676	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"690752"	691.064876	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1359811"	231.026476	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"132700"	231.026476	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"568250"	346.036076	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1038508"	116.016876	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"206770"	154.353409333333	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"657276"	231.026476	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1175889"	77.6803426666667	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"436484"	478.072223	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"799304"	708.091423	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1689440"	248.053023	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"335163"	239.5397495	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"727585"	354.5493495	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1482499"	124.5301495	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"397170"	483.027618	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"758894"	713.046818	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1617077"	253.008418	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"322862"	242.017447	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"720751"	357.027047	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1470201"	127.007847	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1060166"	85.0076566666667	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1262935"	263.052686	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"384793"	499.001558	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"742507"	729.020758	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1543465"	268.982358	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"303921"	250.004417	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"694155"	365.014017	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1447244"	134.994817	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"236939"	502.072226	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1211466"	272.053026	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1194551"	136.530151	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"196987"	505.00956	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"635088"	735.02876	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1132272"	274.99036	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"176052"	253.008418	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"614518"	368.018018	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1120574"	137.998818	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1401911"	92.3349706666667	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1429993"	277.031946	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"231748"	258.04144	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1518715"	291.08399	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"413296"	260.995388	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"772468"	376.004988	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1673544"	145.985788	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"256782"	524.054168	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1228395"	294.034968	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1712903"	294.058493	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1179469"	99.6622846666667	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1650461"	299.013888	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"167052"	536.95744	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"602602"	766.97664	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1086748"	306.93824	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"150129"	268.982358	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"596877"	383.991958	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1083206"	153.972758	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1113254"	308.952792	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1350613"	309.040407	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1020356"	313.079576	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1538115"	314.073208	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"1004199"	157.043426	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1601253"	314.987828	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1428856"	345.019338	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1158292"	177.556701	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1705655"	362.045885	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1639118"	367.00128	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1576958"	382.97522	"C03736"	"alpha-D-Ribose 5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"804044"	230.0192	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"977577"	211.00081	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"70191"	152.338857333333	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"508658"	229.011924	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"880267"	75.6657906666667	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"8323"	229.011924	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"451165"	344.021524	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"831157"	114.002324	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"86778"	459.031124	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"524153"	689.050324	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"899767"	229.011924	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"54142"	476.057671	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"496983"	706.076871	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"870410"	246.038471	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"37217"	481.013066	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"482246"	711.032266	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"855675"	250.993866	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1633236"	250.993866	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"107934"	247.000263	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"546766"	362.009863	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"938093"	131.990663	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"280293"	495.007802	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"675159"	725.027002	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1287685"	264.988602	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"30481"	496.987006	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"467975"	727.006206	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"843590"	266.967806	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1564888"	266.967806	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"952773"	275.017394	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"373174"	505.036601	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"357423"	519.052251	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1504069"	289.033051	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"970155"	296.999351	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"116877"	264.988602	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"554615"	379.998202	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1025238"	149.979002	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1256357"	308.938085	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1317103"	310.994072	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1331317"	332.976029	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"921283"	343.004786	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1297990"	378.981464	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1377246"	195.006524	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1391461"	213.0165	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"293336"	461.045676	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"690876"	691.064876	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1361015"	231.026476	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"136090"	231.026476	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"570184"	346.036076	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1041170"	116.016876	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"206883"	154.353409333333	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"658360"	231.026476	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1174419"	77.6803426666667	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"435503"	478.072223	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"799784"	708.091423	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1690645"	248.053023	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"341108"	239.5397495	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"732435"	354.5493495	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1490629"	124.5301495	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"401656"	483.027618	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"768969"	713.046818	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1616705"	253.008418	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"328807"	242.017447	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"720622"	357.027047	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1472499"	127.007847	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1061370"	85.0076566666667	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1270703"	263.052686	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"391464"	499.001558	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"744806"	729.020758	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1545767"	268.982358	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"306221"	250.004417	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"699733"	365.014017	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1450272"	134.994817	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"237780"	502.072226	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1211216"	272.053026	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1196932"	136.530151	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"194545"	505.00956	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"637750"	735.02876	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1135422"	274.99036	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"173608"	253.008418	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"617180"	368.018018	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1119591"	137.998818	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1400928"	92.3349706666667	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1430611"	277.031946	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"230765"	258.04144	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1519190"	291.08399	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"413042"	260.995388	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"775130"	376.004988	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1671467"	145.985788	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"253976"	524.054168	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1228505"	294.034968	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1713054"	294.058493	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1179100"	99.6622846666667	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1650451"	299.013888	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"164974"	536.95744	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"600524"	766.97664	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1085765"	306.93824	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"148051"	268.982358	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"596377"	383.991958	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1082339"	153.972758	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1111905"	308.952792	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1349751"	309.040407	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1019007"	313.079576	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1538225"	314.073208	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"1002486"	157.043426	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1602216"	314.987828	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1428114"	345.019338	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1160225"	177.556701	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1705765"	362.045885	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1644695"	367.00128	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1577068"	382.97522	"C03737"	"alpha-D-Xylose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"810715"	218.0903	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M"	0
"984248"	199.07191	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-H2O-H"	-19.01839
"70303"	144.386257333333	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M-3H"	-3.021828
"507674"	217.083024	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M-3H"	-3.021828
"880741"	71.6894906666667	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-3H"	-3.021828
"10985"	217.083024	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M-2H"	-2.014552
"449088"	326.128174	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M-2H"	-2.014552
"828352"	108.037874	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-2H"	-2.014552
"86888"	435.173324	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M-H"	-1.007276
"524263"	653.263624	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M-H"	-1.007276
"899147"	217.083024	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-H"	-1.007276
"54252"	452.199871	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M-2H+NH4"	16.019271
"497093"	670.290171	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M-2H+NH4"	16.019271
"870520"	234.109571	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-2H+NH4"	16.019271
"37327"	457.155266	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M-2H+Na"	20.974666
"481263"	675.245566	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M-2H+Na"	20.974666
"856879"	239.064966	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-2H+Na"	20.974666
"1627504"	239.064966	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Na-2H"	20.974666
"108408"	235.071363	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M-H+Cl"	33.962126
"546876"	344.116513	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M-H+Cl"	33.962126
"942103"	126.026213	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-H+Cl"	33.962126
"282473"	471.150002	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+Cl"	34.969402
"674655"	689.240302	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+Cl"	34.969402
"1287667"	253.059702	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Cl"	34.969402
"29982"	473.129206	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M-2H+K"	36.948606
"468812"	691.219506	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M-2H+K"	36.948606
"845523"	255.038906	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-2H+K"	36.948606
"1564998"	255.038906	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+K-2H"	36.948606
"952883"	263.088494	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-H+HCOOH"	44.998194
"366723"	481.178801	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+HCOOH-H"	44.998201
"353887"	495.194451	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+Hac-H"	59.013851
"1501625"	277.104151	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Hac-H"	59.013851
"965891"	285.070451	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-H+NaCOOH"	66.980151
"116987"	253.059702	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+2Cl"	69.938804
"554362"	362.104852	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+2Cl"	69.938804
"1023889"	144.014552	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2Cl"	69.938804
"1251485"	297.009185	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Br"	78.918885
"1317213"	299.065172	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Cl+HCOOH"	80.974872
"1333251"	321.047129	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Cl+NaCOOH"	102.956829
"923580"	331.075886	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M-H+CF3COOH"	112.985586
"1295914"	367.052564	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Cl+CF3COOH"	148.962264
"1377356"	183.077624	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H-2H2O"	-35.012676
"1383551"	201.0876	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H-H2O"	-17.0027
"284696"	437.187876	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+H"	1.007276
"683681"	655.278176	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+H"	1.007276
"1358935"	219.097576	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H"	1.007276
"136201"	219.097576	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+2H"	2.014552
"577950"	328.142726	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+2H"	2.014552
"1046748"	110.052426	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2H"	2.014552
"209179"	146.400809333333	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+3H"	3.021828
"650571"	219.097576	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+3H"	3.021828
"1174530"	73.7040426666667	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+3H"	3.021828
"438653"	454.214423	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+NH4"	18.033823
"797709"	672.304723	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+NH4"	18.033823
"1687840"	236.124123	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+NH4"	18.033823
"341221"	227.6108495	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+H+NH4"	19.041099
"726352"	336.6559995	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+H+NH4"	19.041099
"1489285"	118.5656995	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H+NH4"	19.041099
"401767"	459.169818	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+Na"	22.989218
"764951"	677.260118	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+Na"	22.989218
"1615234"	241.079518	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Na"	22.989218
"327093"	230.088547	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+H+Na"	23.996494
"722679"	339.133697	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+H+Na"	23.996494
"1466048"	121.043397	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H+Na"	23.996494
"1054920"	81.0313566666667	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2H+Na"	25.00377
"1271907"	251.123786	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+CH3OH+H"	33.033486
"379546"	475.143758	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+K"	38.963158
"746011"	693.234058	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+K"	38.963158
"1545877"	257.053458	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+K"	38.963158
"306333"	238.075517	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+H+K"	39.970434
"699843"	347.120667	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+H+K"	39.970434
"1451476"	129.030367	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H+K"	39.970434
"240078"	478.214426	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+ACN+H"	42.033826
"1212786"	260.124126	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+ACN+H"	42.033826
"1195949"	130.565701	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+ACN+2H"	43.041102
"195384"	481.15176	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+2Na-H"	44.97116
"634944"	699.24206	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+2Na-H"	44.97116
"1135532"	263.06146	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2Na-H"	44.97116
"175908"	241.079518	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+2Na"	45.978436
"619113"	350.124668	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+2Na"	45.978436
"1120065"	132.034368	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2Na"	45.978436
"1402131"	88.3586706666667	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H+2Na"	46.985712
"1432788"	265.103046	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H+HCOOH"	47.012746
"232333"	246.11254	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+3H2O+2H"	56.04448
"1520394"	279.15509	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+IsoProp+H"	61.06479
"418620"	249.066488	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+Na+K"	61.952376
"777428"	358.111638	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+Na+K"	61.952376
"1673762"	140.021338	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Na+K"	61.952376
"252870"	500.196368	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+ACN+Na"	64.015768
"1228616"	282.106068	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+ACN+Na"	64.015768
"1716409"	282.129593	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+NH4+HCOOH"	64.039293
"1185045"	95.6859846666667	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+3Na"	68.967654
"1656033"	287.084988	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Na+HCOOH"	68.994688
"166178"	513.09964	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+2K-H"	76.91904
"600270"	731.18994	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+2K-H"	76.91904
"1089155"	295.00934	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2K-H"	76.91904
"144879"	257.053458	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"2M+2K"	77.926316
"595755"	366.098608	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"3M+2K"	77.926316
"1082813"	148.008308	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2K"	77.926316
"1108735"	297.023892	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2K+H"	78.933592
"1349497"	297.111507	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+DMSO+H"	79.021207
"1019117"	301.150676	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2ACN+H"	83.060376
"1529588"	302.144308	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+IsoProp+Na+H"	84.054008
"996034"	151.078976	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+2ACN+2H"	84.067652
"1598191"	303.058928	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+K+HCOOH"	84.968628
"1426037"	333.090438	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+H+CF3COOH"	115.000138
"1156325"	171.592251	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+3ACN+2H"	125.094202
"1705875"	350.116985	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+NH4+CF3COOH"	132.026685
"1642618"	355.07238	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+Na+CF3COOH"	136.98208
"1577178"	371.04632	"C03738"	"gamma-L-Glutamyl-D-alanine;L-gamma-Glutamyl-D-alanine"	"C8H14N2O5"	"218.0903"	"M+K+CF3COOH"	152.95602
"804264"	116.0837	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M"	0
"977797"	97.06531	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H2O-H"	-19.01839
"68225"	76.3818573333333	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-3H"	-3.021828
"507783"	115.076424	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-3H"	-3.021828
"882310"	37.6872906666667	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-3H"	-3.021828
"3074"	115.076424	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H"	-2.014552
"440811"	173.118274	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H"	-2.014552
"828826"	57.034574	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H"	-2.014552
"84811"	231.160124	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-H"	-1.007276
"524373"	347.243824	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-H"	-1.007276
"901080"	115.076424	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H"	-1.007276
"56549"	248.186671	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H+NH4"	16.019271
"499390"	364.270371	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H+NH4"	16.019271
"870630"	132.102971	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H+NH4"	16.019271
"36344"	253.142066	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H+Na"	20.974666
"482466"	369.225766	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H+Na"	20.974666
"855895"	137.058366	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H+Na"	20.974666
"1626520"	137.058366	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na-2H"	20.974666
"106332"	133.064763	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-H+Cl"	33.962126
"546986"	191.106613	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-H+Cl"	33.962126
"942730"	75.022913	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+Cl"	33.962126
"282777"	267.136802	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Cl"	34.969402
"675009"	383.220502	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+Cl"	34.969402
"1288457"	151.053102	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl"	34.969402
"29727"	269.116006	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H+K"	36.948606
"468193"	385.199706	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H+K"	36.948606
"845994"	153.032306	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H+K"	36.948606
"1568388"	153.032306	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K-2H"	36.948606
"952993"	161.081894	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+HCOOH"	44.998194
"363553"	277.165601	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+HCOOH-H"	44.998201
"353996"	291.181251	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Hac-H"	59.013851
"1502828"	175.097551	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Hac-H"	59.013851
"963814"	183.063851	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+NaCOOH"	66.980151
"118190"	151.053102	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2Cl"	69.938804
"553379"	209.094952	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2Cl"	69.938804
"1024728"	93.011252	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2Cl"	69.938804
"1247221"	195.002585	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Br"	78.918885
"1315136"	197.058572	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl+HCOOH"	80.974872
"1331538"	219.040529	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl+NaCOOH"	102.956829
"921503"	229.069286	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+CF3COOH"	112.985586
"1296024"	265.045964	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl+CF3COOH"	148.962264
"1378559"	81.071024	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H-2H2O"	-35.012676
"1383781"	99.081	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H-H2O"	-17.0027
"284075"	233.174676	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H"	1.007276
"684884"	349.258376	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H"	1.007276
"1359045"	117.090976	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H"	1.007276
"136311"	117.090976	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2H"	2.014552
"578060"	175.132826	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2H"	2.014552
"1045765"	59.049126	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2H"	2.014552
"208196"	78.3964093333333	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+3H"	3.021828
"653233"	117.090976	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+3H"	3.021828
"1172451"	39.7018426666667	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+3H"	3.021828
"437548"	250.201223	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+NH4"	18.033823
"800125"	366.284923	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+NH4"	18.033823
"1691960"	134.117523	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+NH4"	18.033823
"343154"	125.6042495	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H+NH4"	19.041099
"728286"	183.6460995	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H+NH4"	19.041099
"1486480"	67.5623995	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+NH4"	19.041099
"402970"	255.156618	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Na"	22.989218
"767247"	371.240318	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+Na"	22.989218
"1615344"	139.072918	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na"	22.989218
"327570"	128.081947	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H+Na"	23.996494
"720723"	186.123797	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H+Na"	23.996494
"1472721"	70.040097	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+Na"	23.996494
"1063415"	47.0291566666667	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2H+Na"	25.00377
"1265457"	149.117186	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+CH3OH+H"	33.033486
"378928"	271.130558	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+K"	38.963158
"746121"	387.214258	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+K"	38.963158
"1544894"	155.046858	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K"	38.963158
"305351"	136.068917	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H+K"	39.970434
"699953"	194.110767	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H+K"	39.970434
"1450493"	78.027067	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+K"	39.970434
"238002"	274.201226	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+ACN+H"	42.033826
"1211437"	158.117526	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+ACN+H"	42.033826
"1195937"	79.562401	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+ACN+2H"	43.041102
"198411"	277.13856	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2Na-H"	44.97116
"637970"	393.22226	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2Na-H"	44.97116
"1137101"	161.05486	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2Na-H"	44.97116
"176019"	139.072918	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2Na"	45.978436
"619953"	197.114768	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2Na"	45.978436
"1119083"	81.031068	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2Na"	45.978436
"1402606"	54.3564706666667	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+2Na"	46.985712
"1432535"	163.096446	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+HCOOH"	47.012746
"231350"	144.10594	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+3H2O+2H"	56.04448
"1520140"	177.14849	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+IsoProp+H"	61.06479
"418730"	147.059888	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Na+K"	61.952376
"777538"	205.101738	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+Na+K"	61.952376
"1670592"	89.018038	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na+K"	61.952376
"251883"	296.183168	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+ACN+Na"	64.015768
"1226902"	180.099468	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+ACN+Na"	64.015768
"1715425"	180.122993	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+NH4+HCOOH"	64.039293
"1185155"	61.6837846666667	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+3Na"	68.967654
"1657236"	185.078388	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na+HCOOH"	68.994688
"168474"	309.08644	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2K-H"	76.91904
"600744"	425.17014	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2K-H"	76.91904
"1087079"	193.00274	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2K-H"	76.91904
"146082"	155.046858	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2K"	77.926316
"595257"	213.088708	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2K"	77.926316
"1081830"	97.005008	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2K"	77.926316
"1107752"	195.017292	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2K+H"	78.933592
"1345229"	195.104907	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+DMSO+H"	79.021207
"1018499"	199.144076	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2ACN+H"	83.060376
"1531885"	200.137708	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+IsoProp+Na+H"	84.054008
"998331"	100.075676	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2ACN+2H"	84.067652
"1598301"	201.052328	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K+HCOOH"	84.968628
"1426147"	231.083838	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+CF3COOH"	115.000138
"1157528"	120.588951	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+3ACN+2H"	125.094202
"1707078"	248.110385	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+NH4+CF3COOH"	132.026685
"1637261"	253.06578	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na+CF3COOH"	136.98208
"1577288"	269.03972	"C03739"	"trans-12-Cyclohexanediol;trans-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K+CF3COOH"	152.95602
"804739"	131.0582	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M"	0
"981188"	112.03981	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"65056"	86.3648573333333	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"517745"	130.050924	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"892267"	42.6787906666667	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"6468"	130.050924	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"453687"	195.580024	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"831129"	64.521824	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"93187"	261.109124	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"533971"	392.167324	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"911266"	130.050924	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"62500"	278.135671	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"496221"	409.193871	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"871835"	147.077471	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"46382"	283.091066	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"481484"	414.149266	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"859287"	152.032866	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1633977"	152.032866	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"109988"	148.039263	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"549943"	213.568363	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"942562"	82.510163	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"282744"	297.085802	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"675642"	428.144002	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1285827"	166.027602	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"29840"	299.065006	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"468304"	430.123206	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"847930"	168.006806	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1566316"	168.006806	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"953104"	176.056394	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"371318"	307.114601	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"356296"	321.130251	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1500030"	190.072051	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"967208"	198.038351	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"115385"	166.027602	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"553853"	231.556702	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1024837"	100.498502	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1244416"	209.977085	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1315246"	212.033072	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1323994"	234.015029	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"915053"	244.043786	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1301603"	280.020464	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1378670"	96.045524	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1388512"	114.0555	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"296949"	263.123676	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"691345"	394.181876	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1359156"	132.065476	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"141289"	132.065476	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"578170"	197.594576	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1043688"	66.536376	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"209403"	88.3794093333333	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"655530"	132.065476	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1174750"	44.6933426666667	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"436930"	280.150223	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"794646"	411.208423	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1690976"	149.092023	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"338158"	140.5787495	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"734952"	206.1078495	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1485494"	75.0496495	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"399802"	285.105618	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"765171"	416.163818	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1614361"	154.047418	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"329381"	143.056447	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"721072"	208.585547	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1474893"	77.527347	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1053355"	52.0206566666667	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1260099"	164.091686	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"384140"	301.079558	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"746229"	432.137758	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1547186"	170.021358	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"305459"	151.043417	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"696783"	216.572517	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1446957"	85.514317	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"236407"	304.150226	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1217393"	173.092026	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1206019"	87.049651	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"191597"	307.08756	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"632978"	438.14576	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1141956"	176.02936	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"178318"	154.047418	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"617148"	219.576518	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1119923"	88.518318	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1403813"	59.3479706666667	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1445554"	178.070946	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"234743"	159.08044	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1521710"	192.12299	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"420302"	162.034388	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"775463"	227.563488	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1670702"	96.505288	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"257222"	326.132168	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1227743"	195.073968	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1719911"	195.097493	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1185267"	66.6752846666667	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1660631"	200.052888	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"167492"	339.03544	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"604865"	470.09364	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1092660"	207.97724	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"156540"	170.021358	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"596468"	235.550458	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1083162"	104.492258	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1113210"	209.991792	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1349474"	210.079407	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1017153"	214.118576	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1535277"	215.112208	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"995162"	107.562926	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1589665"	216.026828	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1425895"	246.058338	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1157639"	128.076201	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1703910"	263.084885	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1646124"	268.04028	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1574483"	284.01422	"C03741"	"(S)-4-Amino-5-oxopentanoate;L-Glutamate 1-semialdehyde"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"804485"	149.0477	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M"	0
"976923"	130.02931	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H2O-H"	-19.01839
"66256"	98.3578573333333	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-3H"	-3.021828
"514209"	148.040424	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-3H"	-3.021828
"889096"	48.6752906666667	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-3H"	-3.021828
"5484"	148.040424	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H"	-2.014552
"452704"	222.564274	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H"	-2.014552
"828323"	73.516574	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H"	-2.014552
"92689"	297.088124	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-H"	-1.007276
"531155"	446.135824	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-H"	-1.007276
"911282"	148.040424	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H"	-1.007276
"60782"	314.114671	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H+NH4"	16.019271
"496331"	463.162371	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H+NH4"	16.019271
"871945"	165.066971	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H+NH4"	16.019271
"44953"	319.070066	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H+Na"	20.974666
"480500"	468.117766	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H+Na"	20.974666
"859397"	170.022366	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H+Na"	20.974666
"1634001"	170.022366	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na-2H"	20.974666
"109440"	166.028763	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-H+Cl"	33.962126
"549851"	240.552613	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-H+Cl"	33.962126
"941087"	91.504913	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+Cl"	33.962126
"281106"	333.064802	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Cl"	34.969402
"675612"	482.112502	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+Cl"	34.969402
"1285929"	184.017102	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl"	34.969402
"30074"	335.044006	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M-2H+K"	36.948606
"468414"	484.091706	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M-2H+K"	36.948606
"847311"	185.996306	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-2H+K"	36.948606
"1568613"	185.996306	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K-2H"	36.948606
"954307"	194.045894	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+HCOOH"	44.998194
"371428"	343.093601	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+HCOOH-H"	44.998201
"356407"	357.109251	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Hac-H"	59.013851
"1500504"	208.061551	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Hac-H"	59.013851
"967318"	216.027851	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+NaCOOH"	66.980151
"115495"	184.017102	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2Cl"	69.938804
"553599"	258.540952	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2Cl"	69.938804
"1024583"	109.493252	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2Cl"	69.938804
"1243433"	227.966585	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Br"	78.918885
"1313169"	230.022572	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl+HCOOH"	80.974872
"1323011"	252.004529	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl+NaCOOH"	102.956829
"915163"	262.033286	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M-H+CF3COOH"	112.985586
"1298433"	298.009964	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Cl+CF3COOH"	148.962264
"1378780"	114.035024	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H-2H2O"	-35.012676
"1388622"	132.045	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H-H2O"	-17.0027
"295966"	299.102676	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H"	1.007276
"689482"	448.150376	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H"	1.007276
"1358173"	150.054976	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H"	1.007276
"139452"	150.054976	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2H"	2.014552
"578281"	224.578826	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2H"	2.014552
"1042705"	75.531126	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2H"	2.014552
"211700"	100.372409333333	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+3H"	3.021828
"655639"	150.054976	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+3H"	3.021828
"1176680"	50.6898426666667	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+3H"	3.021828
"430473"	316.129223	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+NH4"	18.033823
"795848"	465.176923	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+NH4"	18.033823
"1688899"	167.081523	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+NH4"	18.033823
"338268"	158.5682495	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H+NH4"	19.041099
"733969"	233.0920995	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H+NH4"	19.041099
"1487793"	84.0443995	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+NH4"	19.041099
"401006"	321.084618	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Na"	22.989218
"762001"	470.132318	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+Na"	22.989218
"1612285"	172.036918	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na"	22.989218
"327790"	161.045947	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H+Na"	23.996494
"720578"	235.569797	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H+Na"	23.996494
"1474032"	86.522097	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+Na"	23.996494
"1059626"	58.0171566666667	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2H+Na"	25.00377
"1263489"	182.081186	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+CH3OH+H"	33.033486
"387532"	337.058558	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+K"	38.963158
"748525"	486.106258	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+K"	38.963158
"1547296"	188.010858	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K"	38.963158
"305569"	169.032917	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+H+K"	39.970434
"694707"	243.556767	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+H+K"	39.970434
"1446339"	94.509067	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+K"	39.970434
"236233"	340.129226	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+ACN+H"	42.033826
"1217503"	191.081526	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+ACN+H"	42.033826
"1206129"	96.044401	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+ACN+2H"	43.041102
"191343"	343.06656	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2Na-H"	44.97116
"634911"	492.11426	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2Na-H"	44.97116
"1142066"	194.01886	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2Na-H"	44.97116
"178428"	172.036918	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2Na"	45.978436
"619081"	246.560768	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2Na"	45.978436
"1119305"	97.513068	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2Na"	45.978436
"1406109"	65.3444706666667	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+2Na"	46.985712
"1444427"	196.060446	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+HCOOH"	47.012746
"234853"	177.06994	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+3H2O+2H"	56.04448
"1521820"	210.11249	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+IsoProp+H"	61.06479
"420048"	180.023888	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+Na+K"	61.952376
"775573"	254.547738	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+Na+K"	61.952376
"1670812"	105.500038	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na+K"	61.952376
"257332"	362.111168	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+ACN+Na"	64.015768
"1227488"	213.063468	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+ACN+Na"	64.015768
"1718928"	213.086993	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+NH4+HCOOH"	64.039293
"1184284"	72.6717846666667	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+3Na"	68.967654
"1659643"	218.042388	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na+HCOOH"	68.994688
"164321"	375.01444	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2K-H"	76.91904
"606069"	524.06214	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2K-H"	76.91904
"1094593"	225.96674	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2K-H"	76.91904
"156858"	188.010858	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"2M+2K"	77.926316
"596946"	262.534708	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"3M+2K"	77.926316
"1083962"	113.487008	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2K"	77.926316
"1113077"	227.981292	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2K+H"	78.933592
"1348612"	228.068907	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+DMSO+H"	79.021207
"1016170"	232.108076	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2ACN+H"	83.060376
"1534294"	233.101708	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+IsoProp+Na+H"	84.054008
"994179"	116.557676	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+2ACN+2H"	84.067652
"1593055"	234.016328	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K+HCOOH"	84.968628
"1423088"	264.047838	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+H+CF3COOH"	115.000138
"1156656"	137.070951	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+3ACN+2H"	125.094202
"1706205"	281.074385	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+NH4+CF3COOH"	132.026685
"1646234"	286.02978	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+Na+CF3COOH"	136.98208
"1574229"	302.00372	"C03742"	"(S)-4-Hydroxymandelonitrile"	"C8H7NO2"	"149.0477"	"M+K+CF3COOH"	152.95602
"806781"	142.0266	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M"	0
"978126"	123.00821	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"67459"	93.677124	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"515776"	141.019324	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"891392"	46.334924	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"7780"	141.019324	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"454762"	212.032624	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"828432"	70.006024	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"90611"	283.045924	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"529078"	425.072524	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"905788"	141.019324	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"59068"	300.072471	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"496441"	442.099071	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"868775"	158.045871	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"43237"	305.027866	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"482797"	447.054466	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"855131"	163.001266	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1631594"	163.001266	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"102288"	159.007663	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"545129"	230.020963	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"937549"	87.994363	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"280487"	319.022602	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"675304"	461.049202	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1287011"	176.996002	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"31027"	321.001806	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"466337"	463.028406	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"845232"	178.975206	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1568359"	178.975206	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"953324"	187.024794	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"369351"	329.051401	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"353234"	343.067051	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1495505"	201.040451	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"967428"	209.006751	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"113055"	176.996002	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"556989"	248.009302	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1024693"	105.982702	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1245365"	220.945485	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1313279"	223.001472	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1326401"	244.983429	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"918553"	255.012186	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1300730"	290.988864	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1378890"	107.013924	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1388732"	125.0239	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"297173"	285.060476	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"689229"	427.087076	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1359376"	143.033876	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"137740"	143.033876	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"579484"	214.047176	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1045001"	72.020576	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"216183"	95.691676	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"656842"	143.033876	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1174968"	48.349476	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"433863"	302.087023	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"797051"	444.113623	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1687916"	160.060423	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"332914"	151.5471495	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"735172"	222.5604495	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1482435"	80.5338495	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"397835"	307.042418	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"761018"	449.069018	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1614218"	165.015818	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"326441"	154.024847	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"721659"	225.038147	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1471955"	83.011547	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1058643"	55.67679	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1264693"	175.060086	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"386548"	323.016358	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"748635"	465.042958	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1548499"	180.989758	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"306772"	162.011817	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"694817"	233.025117	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1447542"	90.998517	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"237236"	326.087026	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1214330"	184.060426	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1205145"	92.533851	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"199471"	329.02436	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"635021"	471.05096	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1143998"	186.99776	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"179631"	165.015818	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"618098"	236.029118	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1119415"	94.002518	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1404032"	63.004104	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1442717"	189.039346	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"234601"	170.04884	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1521930"	203.09139	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"421979"	173.002788	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"775683"	244.016088	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1674202"	101.989488	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"259629"	348.068968	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1231243"	206.042368	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1720131"	206.065893	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1186580"	70.331418	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1660846"	211.021288	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"164431"	360.97224	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"606545"	502.99884	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1091423"	218.94564	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"157086"	180.989758	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"596560"	252.003058	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1082165"	109.976458	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1113310"	220.960192	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1348601"	221.047807	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1016280"	225.086976	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1534404"	226.080608	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"992467"	113.047126	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1593165"	226.995228	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1423198"	257.026738	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1154579"	133.560401	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1705222"	274.053285	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1645250"	279.00868	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1574339"	294.98262	"C03743"	"1235-Tetrahydroxybenzene"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"804705"	330.2195	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M"	0
"976414"	311.20111	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"65748"	219.139057333333	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"512606"	329.212224	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"892596"	109.065890666667	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"8984"	329.212224	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"454017"	494.321974	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"828542"	164.102474	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"86345"	659.431724	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"528095"	989.651224	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"904804"	329.212224	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"58085"	676.458271	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"497644"	1006.677771	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"868885"	346.238771	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"43347"	681.413666	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"482907"	1011.633166	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"857427"	351.194166	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1632068"	351.194166	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"102398"	347.200563	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"544142"	512.310313	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"937657"	182.090813	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"279502"	695.408402	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"673015"	1025.627902	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1286511"	365.188902	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"30164"	697.387606	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"463167"	1027.607106	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"843155"	367.168106	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1564457"	367.168106	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"951247"	375.217694	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"369461"	705.437201	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"351158"	719.452851	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1494522"	389.233351	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"964258"	397.199651	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"113529"	365.188902	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"551996"	530.298652	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1022616"	200.079152	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1242195"	409.138385	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1307922"	411.194372	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1324324"	433.176329	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"913924"	443.205086	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1298653"	479.181764	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1372439"	295.206824	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1388842"	313.2168	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"296917"	661.446276	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"688605"	991.665776	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1359486"	331.226776	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"128728"	331.226776	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"576315"	496.336526	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1046205"	166.117026	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"213014"	221.153609333333	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"655860"	331.226776	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1172893"	111.080442666667	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"433974"	678.472823	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"792786"	1008.692323	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1690210"	348.253323	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"340674"	339.7400495	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"733096"	504.8497995	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1486915"	174.6302995	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"401221"	683.428218	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"760031"	1013.647718	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1610317"	353.208718	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"323636"	342.217747	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"719337"	507.327497	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1470971"	177.107997	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1059842"	118.407756666667	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1263706"	363.252986	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"384469"	699.402158	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"748743"	1029.621658	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1544235"	369.182658	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"302506"	350.204717	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"692252"	515.314467	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1446190"	185.094967	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"235802"	702.472826	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1216627"	372.253326	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1205619"	186.630301	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"201038"	705.41016	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"635131"	1035.62966	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1144108"	375.19066	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"177555"	353.208718	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"620394"	518.318468	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1119524"	188.098968	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1404142"	125.735070666667	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1443192"	377.232246	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"235279"	358.24174	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1521676"	391.28429	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"422454"	361.195688	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"775793"	526.305438	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1673219"	196.085938	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"259739"	724.454768	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1230260"	394.235268	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1720241"	394.258793	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1186690"	133.062384666667	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1662049"	399.214188	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"165634"	737.35804	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"605925"	1067.57754	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1091896"	407.13854	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"156917"	369.182658	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"596552"	534.292408	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1082275"	204.072908	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1112569"	409.153092	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1348953"	409.240707	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1015297"	413.279876	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1534514"	414.273508	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"994399"	207.143576	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1596555"	415.188128	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1421121"	445.219638	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1156876"	227.656851	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1705332"	462.246185	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1647547"	467.20158	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1574449"	483.17552	"C03747"	"11alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"807001"	330.2195	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M"	0
"977253"	311.20111	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"66587"	219.139057333333	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"517090"	329.212224	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"893800"	109.065890666667	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"10187"	329.212224	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"454127"	494.321974	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"824277"	164.102474	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"88641"	659.431724	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"529298"	989.651224	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"906007"	329.212224	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"54912"	676.458271	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"497753"	1006.677771	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"872274"	346.238771	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"41270"	681.413666	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"481923"	1011.633166	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"855351"	351.194166	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1630719"	351.194166	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"102507"	347.200563	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"539880"	512.310313	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"934486"	182.090813	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"280705"	695.408402	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"675069"	1025.627902	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1282246"	365.188902	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"30880"	697.387606	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"463277"	1027.607106	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"843265"	367.168106	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1563474"	367.168106	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"949169"	375.217694	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"368476"	705.437201	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"351268"	719.452851	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1494753"	389.233351	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"965461"	397.199651	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"116554"	365.188902	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"553926"	530.298652	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1022116"	200.079152	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1241934"	409.138385	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1309125"	411.194372	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1327714"	433.176329	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"919866"	443.205086	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1299857"	479.181764	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1372549"	295.206824	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1390045"	313.2168	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"293013"	661.446276	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"683247"	991.665776	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1351937"	331.226776	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"125889"	331.226776	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"575330"	496.336526	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1047407"	166.117026	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"213124"	221.153609333333	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"653779"	331.226776	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1170811"	111.080442666667	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"430071"	678.472823	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"789976"	1008.692323	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1686308"	348.253323	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"334950"	339.7400495	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"729194"	504.8497995	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1484838"	174.6302995	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"401330"	683.428218	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"760140"	1013.647718	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1610426"	353.208718	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"325931"	342.217747	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"718354"	507.327497	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1471082"	177.107997	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1057766"	118.407756666667	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1261630"	363.252986	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"385672"	699.402158	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"743386"	1029.621658	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1540820"	369.182658	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"303709"	350.204717	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"693213"	515.314467	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1445976"	185.094967	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"236158"	702.472826	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1218924"	372.253326	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1206093"	186.630301	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"200056"	705.41016	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"638521"	1035.62966	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1136562"	375.19066	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"178393"	353.208718	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"618682"	518.318468	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1120364"	188.098968	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1402426"	125.735070666667	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1444759"	377.232246	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"229348"	358.24174	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1522149"	391.28429	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"414907"	361.195688	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"775174"	526.305438	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1676609"	196.085938	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"259118"	724.454768	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1228182"	394.235268	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1713785"	394.258793	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1185707"	133.062384666667	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1658879"	399.214188	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"165743"	737.35804	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"606398"	1067.57754	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1088726"	407.13854	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"147730"	369.182658	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"596747"	534.292408	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1082386"	204.072908	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1115158"	409.153092	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1348942"	409.240707	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1016500"	413.279876	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1533531"	414.273508	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"992323"	207.143576	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1599581"	415.188128	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1424511"	445.219638	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1160631"	227.656851	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1706535"	462.246185	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1648386"	467.20158	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1574559"	483.17552	"C03748"	"16alpha-Hydroxyprogesterone;16-alpha-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"804925"	220.0736	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M"	0
"975541"	201.05521	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-H2O-H"	-19.01839
"72164"	145.708457333333	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M-3H"	-3.021828
"517928"	219.066324	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M-3H"	-3.021828
"894638"	72.3505906666667	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-3H"	-3.021828
"11391"	219.066324	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M-2H"	-2.014552
"452052"	329.103124	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M-2H"	-2.014552
"820379"	109.029524	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-2H"	-2.014552
"84379"	439.139924	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M-H"	-1.007276
"530498"	659.213524	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M-H"	-1.007276
"901740"	219.066324	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-H"	-1.007276
"55022"	456.166471	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M-2H+NH4"	16.019271
"494584"	676.240071	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M-2H+NH4"	16.019271
"875665"	236.092871	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-2H+NH4"	16.019271
"41380"	461.121866	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M-2H+Na"	20.974666
"478753"	681.195466	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M-2H+Na"	20.974666
"862021"	241.048266	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-2H+Na"	20.974666
"1626087"	241.048266	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Na-2H"	20.974666
"107721"	237.054663	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M-H+Cl"	33.962126
"545457"	347.091463	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M-H+Cl"	33.962126
"936783"	127.017863	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-H+Cl"	33.962126
"277537"	475.116602	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+Cl"	34.969402
"674451"	695.190202	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+Cl"	34.969402
"1282356"	255.043002	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Cl"	34.969402
"26008"	477.095806	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M-2H+K"	36.948606
"464480"	697.169406	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M-2H+K"	36.948606
"843376"	257.022206	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-2H+K"	36.948606
"1563584"	257.022206	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+K-2H"	36.948606
"949279"	265.071794	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-H+HCOOH"	44.998194
"368586"	485.145401	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+HCOOH-H"	44.998201
"352471"	499.161051	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+Hac-H"	59.013851
"1495103"	279.087451	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Hac-H"	59.013851
"965571"	287.053751	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-H+NaCOOH"	66.980151
"115571"	255.043002	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+2Cl"	69.938804
"552215"	365.079802	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+2Cl"	69.938804
"1023929"	145.006202	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2Cl"	69.938804
"1243507"	298.992485	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Br"	78.918885
"1311422"	301.048472	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Cl+HCOOH"	80.974872
"1327824"	323.030429	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Cl+NaCOOH"	102.956829
"919976"	333.059186	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M-H+CF3COOH"	112.985586
"1299967"	369.035864	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Cl+CF3COOH"	148.962264
"1373752"	185.060924	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H-2H2O"	-35.012676
"1391248"	203.0709	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H-H2O"	-17.0027
"293123"	441.154476	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+H"	1.007276
"681170"	661.228076	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+H"	1.007276
"1353507"	221.080876	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H"	1.007276
"126394"	221.080876	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+2H"	2.014552
"574347"	331.117676	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+2H"	2.014552
"1048610"	111.044076	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2H"	2.014552
"214327"	147.723009333333	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+3H"	3.021828
"656076"	221.080876	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+3H"	3.021828
"1172015"	74.3651426666667	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+3H"	3.021828
"432004"	458.181023	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+NH4"	18.033823
"796284"	678.254623	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+NH4"	18.033823
"1687511"	238.107423	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+NH4"	18.033823
"340892"	229.5941495	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+H+NH4"	19.041099
"728940"	339.6309495	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+H+NH4"	19.041099
"1486041"	119.5573495	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H+NH4"	19.041099
"401440"	463.136418	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+Na"	22.989218
"763531"	683.210018	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+Na"	22.989218
"1610536"	243.062818	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Na"	22.989218
"327135"	232.071847	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+H+Na"	23.996494
"720287"	342.108647	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+H+Na"	23.996494
"1471192"	122.035047	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H+Na"	23.996494
"1062248"	81.6924566666667	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2H+Na"	25.00377
"1263926"	253.107086	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+CH3OH+H"	33.033486
"385781"	479.110358	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+K"	38.963158
"742401"	699.183958	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+K"	38.963158
"1540443"	259.036758	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+K"	38.963158
"299038"	240.058817	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+H+K"	39.970434
"691862"	350.095617	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+H+K"	39.970434
"1445965"	130.022017	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H+K"	39.970434
"237563"	482.181026	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+ACN+H"	42.033826
"1220128"	262.107426	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+ACN+H"	42.033826
"1205109"	131.557351	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+ACN+2H"	43.041102
"202110"	485.11836	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+2Na-H"	44.97116
"642642"	705.19196	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+2Na-H"	44.97116
"1144323"	265.04476	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2Na-H"	44.97116
"178139"	243.062818	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+2Na"	45.978436
"618428"	353.099618	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+2Na"	45.978436
"1121933"	133.026018	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2Na"	45.978436
"1407642"	89.0197706666667	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H+2Na"	46.985712
"1444870"	267.086346	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H+HCOOH"	47.012746
"234197"	248.09584	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+3H2O+2H"	56.04448
"1523232"	281.13839	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+IsoProp+H"	61.06479
"414288"	251.049788	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+Na+K"	61.952376
"774555"	361.086588	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+Na+K"	61.952376
"1674532"	141.012988	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Na+K"	61.952376
"256312"	504.162968	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+ACN+Na"	64.015768
"1228292"	284.089368	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+ACN+Na"	64.015768
"1713410"	284.112893	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+NH4+HCOOH"	64.039293
"1185817"	96.3470846666667	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+3Na"	68.967654
"1657896"	289.068288	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Na+HCOOH"	68.994688
"163666"	517.06624	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+2K-H"	76.91904
"603228"	737.13984	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+2K-H"	76.91904
"1087011"	296.99264	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2K-H"	76.91904
"143465"	259.036758	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"2M+2K"	77.926316
"595918"	369.073558	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"3M+2K"	77.926316
"1081035"	148.999958	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2K"	77.926316
"1115104"	299.007192	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2K+H"	78.933592
"1349173"	299.094807	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+DMSO+H"	79.021207
"1016610"	303.133976	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2ACN+H"	83.060376
"1532547"	304.127608	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+IsoProp+Na+H"	84.054008
"995713"	152.070626	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+2ACN+2H"	84.067652
"1598962"	305.042228	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+K+HCOOH"	84.968628
"1423528"	335.073738	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+H+CF3COOH"	115.000138
"1154909"	172.583901	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+3ACN+2H"	125.094202
"1705552"	352.100285	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+NH4+CF3COOH"	132.026685
"1645580"	357.05568	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+Na+CF3COOH"	136.98208
"1574669"	373.02962	"C03750"	"26-Dioxo-6-phenylhexanoate"	"C12H12O4"	"220.0736"	"M+K+CF3COOH"	152.95602
"805035"	195.0743	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M"	0
"975651"	176.05591	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-H2O-H"	-19.01839
"64621"	129.042257333333	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M-3H"	-3.021828
"518038"	194.067024	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M-3H"	-3.021828
"894019"	64.0174906666667	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-3H"	-3.021828
"7127"	194.067024	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M-2H"	-2.014552
"454348"	291.604174	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M-2H"	-2.014552
"822311"	96.529874	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-2H"	-2.014552
"87769"	389.141324	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M-H"	-1.007276
"532674"	584.215624	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M-H"	-1.007276
"905131"	194.067024	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-H"	-1.007276
"57319"	406.167871	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M-2H+NH4"	16.019271
"497974"	601.242171	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M-2H+NH4"	16.019271
"874681"	211.093571	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-2H+NH4"	16.019271
"38208"	411.123266	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M-2H+Na"	20.974666
"482142"	606.197566	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M-2H+Na"	20.974666
"858849"	216.048966	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-2H+Na"	20.974666
"1628383"	216.048966	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Na-2H"	20.974666
"106737"	212.055363	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M-H+Cl"	33.962126
"542285"	309.592513	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M-H+Cl"	33.962126
"933612"	114.518213	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-H+Cl"	33.962126
"280924"	425.118002	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+Cl"	34.969402
"665690"	620.192302	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+Cl"	34.969402
"1275906"	230.043702	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Cl"	34.969402
"26118"	427.097206	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M-2H+K"	36.948606
"462402"	622.171506	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M-2H+K"	36.948606
"846400"	232.022906	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-2H+K"	36.948606
"1565879"	232.022906	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+K-2H"	36.948606
"952670"	240.072494	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-H+HCOOH"	44.998194
"366509"	435.146801	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+HCOOH-H"	44.998201
"352581"	449.162451	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+Hac-H"	59.013851
"1494121"	254.088151	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Hac-H"	59.013851
"967868"	262.054451	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-H+NaCOOH"	66.980151
"116774"	230.043702	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+2Cl"	69.938804
"554147"	327.580852	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+2Cl"	69.938804
"1025132"	132.506552	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2Cl"	69.938804
"1243617"	273.993185	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Br"	78.918885
"1312625"	276.049172	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Cl+HCOOH"	80.974872
"1327934"	298.031129	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Cl+NaCOOH"	102.956829
"920086"	308.059886	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M-H+CF3COOH"	112.985586
"1295702"	344.036564	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Cl+CF3COOH"	148.962264
"1370582"	160.061624	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H-2H2O"	-35.012676
"1391358"	178.0716	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H-H2O"	-17.0027
"293233"	391.155876	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+H"	1.007276
"680187"	586.230176	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+H"	1.007276
"1352280"	196.081576	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H"	1.007276
"126745"	196.081576	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+2H"	2.014552
"576643"	293.618726	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+2H"	2.014552
"1049813"	98.544426	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2H"	2.014552
"214437"	131.056809333333	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+3H"	3.021828
"656186"	196.081576	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+3H"	3.021828
"1172125"	66.0320426666667	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+3H"	3.021828
"432114"	408.182423	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+NH4"	18.033823
"790561"	603.256723	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+NH4"	18.033823
"1687256"	213.108123	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+NH4"	18.033823
"336628"	204.5948495	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+H+NH4"	19.041099
"728319"	302.1319995	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+H+NH4"	19.041099
"1483965"	107.0576995	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H+NH4"	19.041099
"403739"	413.137818	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+Na"	22.989218
"763641"	608.212118	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+Na"	22.989218
"1609553"	218.063518	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Na"	22.989218
"325056"	207.072547	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+H+Na"	23.996494
"719304"	304.609697	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+H+Na"	23.996494
"1471302"	109.535397	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H+Na"	23.996494
"1062359"	73.3593566666667	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2H+Na"	25.00377
"1261849"	228.107786	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+CH3OH+H"	33.033486
"381516"	429.111758	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+K"	38.963158
"742512"	624.186058	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+K"	38.963158
"1542378"	234.037458	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+K"	38.963158
"299919"	215.059517	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+H+K"	39.970434
"694158"	312.596667	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+H+K"	39.970434
"1447250"	117.522367	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H+K"	39.970434
"236579"	432.182426	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+ACN+H"	42.033826
"1222424"	237.108126	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+ACN+H"	42.033826
"1201939"	119.057701	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+ACN+2H"	43.041102
"194808"	435.11976	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+2Na-H"	44.97116
"640928"	630.19406	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+2Na-H"	44.97116
"1142246"	240.04546	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2Na-H"	44.97116
"180071"	218.063518	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+2Na"	45.978436
"617808"	315.600668	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+2Na"	45.978436
"1125323"	120.526368	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2Na"	45.978436
"1405565"	80.6866706666667	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H+2Na"	46.985712
"1444616"	242.087046	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H+HCOOH"	47.012746
"233579"	223.09654	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+3H2O+2H"	56.04448
"1522369"	256.13909	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+IsoProp+H"	61.06479
"414762"	226.050488	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+Na+K"	61.952376
"777581"	323.587638	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+Na+K"	61.952376
"1673548"	128.513338	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Na+K"	61.952376
"257150"	454.164368	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+ACN+Na"	64.015768
"1226944"	259.090068	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+ACN+Na"	64.015768
"1714737"	259.113593	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+NH4+HCOOH"	64.039293
"1178754"	88.0139846666667	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+3Na"	68.967654
"1651444"	264.068988	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Na+HCOOH"	68.994688
"161951"	467.06764	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+2K-H"	76.91904
"601152"	662.14194	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+2K-H"	76.91904
"1084934"	271.99334	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2K-H"	76.91904
"143575"	234.037458	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"2M+2K"	77.926316
"595907"	331.574608	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"3M+2K"	77.926316
"1082967"	136.500308	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2K"	77.926316
"1114602"	274.007892	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2K+H"	78.933592
"1348190"	274.095507	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+DMSO+H"	79.021207
"1016720"	278.134676	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2ACN+H"	83.060376
"1532657"	279.128308	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+IsoProp+Na+H"	84.054008
"999103"	139.570976	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+2ACN+2H"	84.067652
"1599072"	280.042928	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+K+HCOOH"	84.968628
"1424731"	310.074438	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+H+CF3COOH"	115.000138
"1158299"	160.084251	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+3ACN+2H"	125.094202
"1708942"	327.100985	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+NH4+CF3COOH"	132.026685
"1643502"	332.05638	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+Na+CF3COOH"	136.98208
"1574779"	348.03032	"C03752"	"2-Amino-2-deoxy-D-gluconate;D-Glucosaminate;D-Glucosaminic acid;Glucosaminate"	"C6H13NO6"	"195.0743"	"M+K+CF3COOH"	152.95602
"808425"	191.9978	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M"	0
"981957"	172.97941	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-H2O-H"	-19.01839
"70199"	126.991257333333	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M-3H"	-3.021828
"515232"	190.990524	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M-3H"	-3.021828
"893035"	62.9919906666667	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-3H"	-3.021828
"10517"	190.990524	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M-2H"	-2.014552
"455070"	286.989424	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M-2H"	-2.014552
"827888"	94.991624	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-2H"	-2.014552
"88973"	382.988324	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M-H"	-1.007276
"532784"	574.986124	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M-H"	-1.007276
"907428"	190.990524	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-H"	-1.007276
"60953"	400.014871	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M-2H+NH4"	16.019271
"501485"	592.012671	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M-2H+NH4"	16.019271
"875884"	208.017071	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-2H+NH4"	16.019271
"45246"	404.970266	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M-2H+Na"	20.974666
"483348"	596.968066	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M-2H+Na"	20.974666
"862731"	212.972466	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-2H+Na"	20.974666
"1630680"	212.972466	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Na-2H"	20.974666
"102836"	208.978863	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M-H+Cl"	33.962126
"540209"	304.977763	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M-H+Cl"	33.962126
"933722"	112.979963	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-H+Cl"	33.962126
"280065"	418.965002	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+Cl"	34.969402
"669080"	610.962802	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+Cl"	34.969402
"1277109"	226.967202	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Cl"	34.969402
"19667"	420.944206	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M-2H+K"	36.948606
"465792"	612.942006	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M-2H+K"	36.948606
"838125"	228.946406	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-2H+K"	36.948606
"1560520"	228.946406	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+K-2H"	36.948606
"952777"	236.995994	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-H+HCOOH"	44.998194
"369899"	428.993801	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+HCOOH-H"	44.998201
"355971"	443.009451	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+Hac-H"	59.013851
"1497147"	251.011651	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Hac-H"	59.013851
"967978"	258.977951	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-H+NaCOOH"	66.980151
"115791"	226.967202	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+2Cl"	69.938804
"552071"	322.966102	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+2Cl"	69.938804
"1027429"	130.968302	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2Cl"	69.938804
"1243727"	270.916685	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Br"	78.918885
"1312735"	272.972672	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Cl+HCOOH"	80.974872
"1328044"	294.954629	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Cl+NaCOOH"	102.956829
"920196"	304.983386	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M-H+CF3COOH"	112.985586
"1295812"	340.960064	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Cl+CF3COOH"	148.962264
"1376159"	156.985124	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H-2H2O"	-35.012676
"1391468"	174.9951	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H-H2O"	-17.0027
"295530"	385.002876	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+H"	1.007276
"680297"	577.000676	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+H"	1.007276
"1353361"	193.005076	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H"	1.007276
"127341"	193.005076	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+2H"	2.014552
"576753"	289.003976	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+2H"	2.014552
"1047736"	97.006176	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2H"	2.014552
"214547"	129.005809333333	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+3H"	3.021828
"657268"	193.005076	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+3H"	3.021828
"1171140"	65.0065426666667	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+3H"	3.021828
"432588"	402.029423	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+NH4"	18.033823
"791035"	594.027223	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+NH4"	18.033823
"1687001"	210.031623	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+NH4"	18.033823
"334915"	201.5183495	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+H+NH4"	19.041099
"726607"	297.5172495	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+H+NH4"	19.041099
"1484074"	105.5194495	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H+NH4"	19.041099
"402755"	406.984818	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+Na"	22.989218
"761563"	598.982618	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+Na"	22.989218
"1612943"	214.987018	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Na"	22.989218
"325166"	203.996047	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+H+Na"	23.996494
"719775"	299.994947	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+H+Na"	23.996494
"1473597"	107.997147	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H+Na"	23.996494
"1061375"	72.3338566666667	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2H+Na"	25.00377
"1261958"	225.031286	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+CH3OH+H"	33.033486
"380533"	422.958758	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+K"	38.963158
"741527"	614.956558	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+K"	38.963158
"1541392"	230.960958	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+K"	38.963158
"305130"	211.983017	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+H+K"	39.970434
"699735"	307.981917	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+H+K"	39.970434
"1446997"	115.984117	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H+K"	39.970434
"236691"	426.029426	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+ACN+H"	42.033826
"1222536"	234.031626	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+ACN+H"	42.033826
"1199861"	117.519451	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+ACN+2H"	43.041102
"200385"	428.96676	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+2Na-H"	44.97116
"642134"	620.96456	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+2Na-H"	44.97116
"1144179"	236.96896	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2Na-H"	44.97116
"181275"	214.987018	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+2Na"	45.978436
"626548"	310.985918	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+2Na"	45.978436
"1131151"	118.988118	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2Na"	45.978436
"1411142"	79.6611706666667	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H+2Na"	46.985712
"1444363"	239.010546	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H+HCOOH"	47.012746
"233813"	220.02004	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+3H2O+2H"	56.04448
"1522846"	253.06259	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+IsoProp+H"	61.06479
"416331"	222.973988	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+Na+K"	61.952376
"777691"	318.972888	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+Na+K"	61.952376
"1678032"	126.975088	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Na+K"	61.952376
"259448"	448.011368	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+ACN+Na"	64.015768
"1232157"	256.013568	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+ACN+Na"	64.015768
"1719221"	256.037093	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+NH4+HCOOH"	64.039293
"1178984"	86.9884846666667	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+3Na"	68.967654
"1651554"	260.992488	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Na+HCOOH"	68.994688
"161697"	460.91464	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+2K-H"	76.91904
"604542"	652.91244	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+2K-H"	76.91904
"1089055"	268.91684	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2K-H"	76.91904
"145872"	230.960958	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"2M+2K"	77.926316
"594558"	326.959858	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"3M+2K"	77.926316
"1079796"	134.962058	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2K"	77.926316
"1114594"	270.931392	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2K+H"	78.933592
"1348297"	271.019007	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+DMSO+H"	79.021207
"1020109"	275.058176	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2ACN+H"	83.060376
"1532767"	276.051808	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+IsoProp+Na+H"	84.054008
"995933"	138.032726	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+2ACN+2H"	84.067652
"1594808"	276.966428	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+K+HCOOH"	84.968628
"1421561"	306.997938	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+H+CF3COOH"	115.000138
"1155129"	158.546001	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+3ACN+2H"	125.094202
"1706865"	324.024485	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+NH4+CF3COOH"	132.026685
"1643612"	328.97988	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+Na+CF3COOH"	136.98208
"1574889"	344.95382	"C03753"	"2-Chloro-14-naphthoquinone"	"C10H5ClO2"	"191.9978"	"M+K+CF3COOH"	152.95602
"805255"	168.0188	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M"	0
"982068"	149.00041	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-H2O-H"	-19.01839
"70308"	111.005257333333	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M-3H"	-3.021828
"517165"	167.011524	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M-3H"	-3.021828
"893145"	54.9989906666667	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-3H"	-3.021828
"4067"	167.011524	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H"	-2.014552
"454813"	251.020924	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H"	-2.014552
"826905"	83.002124	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H"	-2.014552
"92363"	335.030324	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M-H"	-1.007276
"533380"	503.049124	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M-H"	-1.007276
"907538"	167.011524	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-H"	-1.007276
"61670"	352.056871	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H+NH4"	16.019271
"499284"	520.075671	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H+NH4"	16.019271
"877087"	184.038071	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H+NH4"	16.019271
"46820"	357.012266	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H+Na"	20.974666
"486377"	525.031066	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H+Na"	20.974666
"862229"	188.993466	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H+Na"	20.974666
"1630790"	188.993466	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na-2H"	20.974666
"105133"	184.999863	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M-H+Cl"	33.962126
"541412"	269.009263	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M-H+Cl"	33.962126
"932010"	100.990463	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+Cl"	33.962126
"277864"	371.007002	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Cl"	34.969402
"672470"	539.025802	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+Cl"	34.969402
"1276124"	202.988202	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl"	34.969402
"20869"	372.986206	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M-2H+K"	36.948606
"464809"	541.005006	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M-2H+K"	36.948606
"837141"	204.967406	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-2H+K"	36.948606
"1558443"	204.967406	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+K-2H"	36.948606
"949607"	213.016994	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+HCOOH"	44.998194
"368916"	381.035801	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+HCOOH-H"	44.998201
"351708"	395.051451	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Hac-H"	59.013851
"1499444"	227.032651	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Hac-H"	59.013851
"968088"	234.998951	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+NaCOOH"	66.980151
"114808"	202.988202	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2Cl"	69.938804
"552181"	286.997602	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2Cl"	69.938804
"1026446"	118.978802	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2Cl"	69.938804
"1246024"	246.937685	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Br"	78.918885
"1313939"	248.993672	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl+HCOOH"	80.974872
"1328154"	270.975629	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl+NaCOOH"	102.956829
"919213"	281.004386	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M-H+CF3COOH"	112.985586
"1294829"	316.981064	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Cl+CF3COOH"	148.962264
"1368248"	133.006124	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H-2H2O"	-35.012676
"1390485"	151.0161	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H-H2O"	-17.0027
"293454"	337.044876	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H"	1.007276
"680407"	505.063676	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H"	1.007276
"1352014"	169.026076	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H"	1.007276
"125870"	169.026076	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2H"	2.014552
"576863"	253.035476	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2H"	2.014552
"1045660"	85.016676	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2H"	2.014552
"213564"	113.019809333333	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+3H"	3.021828
"656406"	169.026076	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+3H"	3.021828
"1173436"	57.0135426666667	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+3H"	3.021828
"432334"	354.071423	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+NH4"	18.033823
"792240"	522.090223	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+NH4"	18.033823
"1687111"	186.052623	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+NH4"	18.033823
"334296"	177.5393495	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H+NH4"	19.041099
"732550"	261.5487495	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H+NH4"	19.041099
"1487465"	93.5299495	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+NH4"	19.041099
"405052"	359.026818	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Na"	22.989218
"763861"	527.045618	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+Na"	22.989218
"1613053"	191.008018	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na"	22.989218
"325276"	180.017047	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H+Na"	23.996494
"720978"	264.026447	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H+Na"	23.996494
"1473707"	96.007647	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+Na"	23.996494
"1059298"	64.3408566666667	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2H+Na"	25.00377
"1262069"	201.052286	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+CH3OH+H"	33.033486
"379184"	375.000758	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+K"	38.963158
"740178"	543.019558	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+K"	38.963158
"1541137"	206.981958	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+K"	38.963158
"303053"	188.004017	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+H+K"	39.970434
"697658"	272.013417	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+H+K"	39.970434
"1453664"	103.994617	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+K"	39.970434
"245547"	378.071426	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+ACN+H"	42.033826
"1221550"	210.052626	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+ACN+H"	42.033826
"1205438"	105.529951	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+ACN+2H"	43.041102
"200495"	381.00876	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2Na-H"	44.97116
"642855"	549.02756	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2Na-H"	44.97116
"1144289"	212.98996	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2Na-H"	44.97116
"184665"	191.008018	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2Na"	45.978436
"627511"	275.017418	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2Na"	45.978436
"1130900"	106.998618	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2Na"	45.978436
"1411252"	71.6681706666667	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+2Na"	46.985712
"1444836"	215.031546	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+HCOOH"	47.012746
"234774"	196.04104	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+3H2O+2H"	56.04448
"1521739"	229.08359	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+IsoProp+H"	61.06479
"416441"	198.994988	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+Na+K"	61.952376
"776708"	283.004388	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+Na+K"	61.952376
"1674862"	114.985588	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na+K"	61.952376
"261380"	400.053368	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+ACN+Na"	64.015768
"1234089"	232.034568	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+ACN+Na"	64.015768
"1717144"	232.058093	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+NH4+HCOOH"	64.039293
"1179946"	78.9954846666667	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+3Na"	68.967654
"1651664"	237.013488	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na+HCOOH"	68.994688
"161807"	412.95664	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2K-H"	76.91904
"606838"	580.97544	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2K-H"	76.91904
"1091352"	244.93784	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2K-H"	76.91904
"149262"	206.981958	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"2M+2K"	77.926316
"595395"	290.991358	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"3M+2K"	77.926316
"1079906"	122.972558	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2K"	77.926316
"1115190"	246.952392	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2K+H"	78.933592
"1347313"	247.040007	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+DMSO+H"	79.021207
"1016938"	251.079176	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2ACN+H"	83.060376
"1532877"	252.072808	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+IsoProp+Na+H"	84.054008
"994949"	126.043226	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+2ACN+2H"	84.067652
"1592731"	252.987428	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+K+HCOOH"	84.968628
"1421671"	283.018938	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+H+CF3COOH"	115.000138
"1155239"	146.556501	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+3ACN+2H"	125.094202
"1703695"	300.045485	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+NH4+CF3COOH"	132.026685
"1643722"	305.00088	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+Na+CF3COOH"	136.98208
"1574999"	320.97482	"C03754"	"2-Methylpropanoyl phosphate;2-Methylpropionyl phosphate"	"C4H9O5P"	"168.0188"	"M+K+CF3COOH"	152.95602
"805365"	567.2864	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M"	0
"982178"	548.26801	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-H2O-H"	-19.01839
"67138"	377.183657333333	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M-3H"	-3.021828
"517275"	566.279124	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M-3H"	-3.021828
"889975"	188.088190666667	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-3H"	-3.021828
"4177"	566.279124	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M-2H"	-2.014552
"455637"	849.922324	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M-2H"	-2.014552
"829202"	282.635924	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-2H"	-2.014552
"93813"	1133.565524	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M-H"	-1.007276
"532885"	1700.851924	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M-H"	-1.007276
"910323"	566.279124	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-H"	-1.007276
"61901"	1150.592071	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M-2H+NH4"	16.019271
"499394"	1717.878471	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M-2H+NH4"	16.019271
"877806"	583.305671	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-2H+NH4"	16.019271
"46694"	1155.547466	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M-2H+Na"	20.974666
"486813"	1722.833866	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M-2H+Na"	20.974666
"863311"	588.261066	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-2H+Na"	20.974666
"1626524"	588.261066	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Na-2H"	20.974666
"105242"	584.267463	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M-H+Cl"	33.962126
"541522"	867.910663	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M-H+Cl"	33.962126
"933942"	300.624263	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-H+Cl"	33.962126
"278705"	1169.542202	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+Cl"	34.969402
"672580"	1736.828602	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+Cl"	34.969402
"1276598"	602.255802	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Cl"	34.969402
"20979"	1171.521406	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M-2H+K"	36.948606
"463826"	1738.807806	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M-2H+K"	36.948606
"835066"	604.235006	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-2H+K"	36.948606
"1561834"	604.235006	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+K-2H"	36.948606
"948624"	612.284594	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-H+HCOOH"	44.998194
"371212"	1179.571001	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+HCOOH-H"	44.998201
"358378"	1193.586651	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+Hac-H"	59.013851
"1499554"	626.300251	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Hac-H"	59.013851
"969292"	634.266551	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-H+NaCOOH"	66.980151
"120386"	602.255802	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+2Cl"	69.938804
"557759"	885.899002	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+2Cl"	69.938804
"1026558"	318.612602	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2Cl"	69.938804
"1251605"	646.205285	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Br"	78.918885
"1315145"	648.261272	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Cl+HCOOH"	80.974872
"1330451"	670.243229	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Cl+NaCOOH"	102.956829
"920416"	680.271986	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M-H+CF3COOH"	112.985586
"1298218"	716.248664	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Cl+CF3COOH"	148.962264
"1374192"	532.273724	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H-2H2O"	-35.012676
"1392782"	550.2837	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H-H2O"	-17.0027
"292471"	1135.580076	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+H"	1.007276
"682704"	1702.866476	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+H"	1.007276
"1352489"	568.293676	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H"	1.007276
"126139"	568.293676	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+2H"	2.014552
"579159"	851.936876	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+2H"	2.014552
"1046863"	284.650476	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2H"	2.014552
"216954"	379.198209333333	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+3H"	3.021828
"658339"	568.293676	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+3H"	3.021828
"1173546"	190.102742666667	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+3H"	3.021828
"432807"	1152.606623	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+NH4"	18.033823
"792713"	1719.893023	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+NH4"	18.033823
"1687220"	585.320223	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+NH4"	18.033823
"334041"	576.8069495	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+H+NH4"	19.041099
"729376"	860.4501495	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+H+NH4"	19.041099
"1483200"	293.1637495	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H+NH4"	19.041099
"393981"	1157.562018	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+Na"	22.989218
"755585"	1724.848418	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+Na"	22.989218
"1603556"	590.275618	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Na"	22.989218
"319914"	579.284647	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+H+Na"	23.996494
"711241"	862.927847	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+H+Na"	23.996494
"1467247"	295.641447	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H+Na"	23.996494
"1053693"	197.430056666667	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2H+Na"	25.00377
"1261085"	600.319886	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+CH3OH+H"	33.033486
"377584"	1173.535958	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+K"	38.963158
"738699"	1740.822358	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+K"	38.963158
"1540020"	606.249558	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+K"	38.963158
"299147"	587.271617	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+H+K"	39.970434
"693390"	870.914817	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+H+K"	39.970434
"1448305"	303.628417	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H+K"	39.970434
"237637"	1176.606626	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+ACN+H"	42.033826
"1225068"	609.320226	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+ACN+H"	42.033826
"1207737"	305.163751	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+ACN+2H"	43.041102
"202792"	1179.54396	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+2Na-H"	44.97116
"643736"	1746.83036	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+2Na-H"	44.97116
"1143305"	612.25756	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2Na-H"	44.97116
"186962"	590.275618	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+2Na"	45.978436
"628150"	873.918818	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+2Na"	45.978436
"1131129"	306.632418	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2Na"	45.978436
"1412091"	204.757370666667	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H+2Na"	46.985712
"1444705"	614.299146	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H+HCOOH"	47.012746
"233909"	595.30864	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+3H2O+2H"	56.04448
"1523185"	628.35119	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+IsoProp+H"	61.06479
"417645"	598.262588	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+Na+K"	61.952376
"776454"	881.905788	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+Na+K"	61.952376
"1674972"	314.619388	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Na+K"	61.952376
"258210"	1198.588568	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+ACN+Na"	64.015768
"1228002"	631.302168	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+ACN+Na"	64.015768
"1716889"	631.325693	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+NH4+HCOOH"	64.039293
"1182243"	212.084684666667	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+3Na"	68.967654
"1651774"	636.281088	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Na+HCOOH"	68.994688
"160825"	1211.49184	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+2K-H"	76.91904
"600387"	1778.77824	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+2K-H"	76.91904
"1091462"	644.20544	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2K-H"	76.91904
"151559"	606.249558	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"2M+2K"	77.926316
"592225"	889.892758	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"3M+2K"	77.926316
"1077829"	322.606358	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2K"	77.926316
"1113229"	646.219992	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2K+H"	78.933592
"1346330"	646.307607	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+DMSO+H"	79.021207
"1010848"	650.346776	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2ACN+H"	83.060376
"1532986"	651.340408	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+IsoProp+Na+H"	84.054008
"995423"	325.677026	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+2ACN+2H"	84.067652
"1592841"	652.255028	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+K+HCOOH"	84.968628
"1426155"	682.286538	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+H+CF3COOH"	115.000138
"1155349"	346.190301	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+3ACN+2H"	125.094202
"1703804"	699.313085	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+NH4+CF3COOH"	132.026685
"1643832"	704.26848	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+Na+CF3COOH"	136.98208
"1575109"	720.24242	"C03755"	"3-Deoxydihydrostreptomycin"	"C21H41N7O11"	"567.2864"	"M+K+CF3COOH"	152.95602
"806568"	165.0426	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M"	0
"979006"	146.02421	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-H2O-H"	-19.01839
"65061"	109.021124	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M-3H"	-3.021828
"515562"	164.035324	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M-3H"	-3.021828
"893363"	54.006924	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-3H"	-3.021828
"2099"	164.035324	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M-2H"	-2.014552
"448223"	246.556624	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M-2H"	-2.014552
"832476"	81.514024	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-2H"	-2.014552
"93844"	329.077924	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M-H"	-1.007276
"533601"	494.120524	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M-H"	-1.007276
"909946"	164.035324	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-H"	-1.007276
"62011"	346.104471	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M-2H+NH4"	16.019271
"499504"	511.147071	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M-2H+NH4"	16.019271
"875121"	181.061871	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-2H+NH4"	16.019271
"46835"	351.059866	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M-2H+Na"	20.974666
"484769"	516.102466	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M-2H+Na"	20.974666
"861842"	186.017266	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-2H+Na"	20.974666
"1627727"	186.017266	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Na-2H"	20.974666
"102071"	182.023663	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M-H+Cl"	33.962126
"544910"	264.544963	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M-H+Cl"	33.962126
"930770"	99.502363	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-H+Cl"	33.962126
"281243"	365.054602	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+Cl"	34.969402
"672690"	530.097202	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+Cl"	34.969402
"1279623"	200.012002	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Cl"	34.969402
"22182"	367.033806	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M-2H+K"	36.948606
"465030"	532.076406	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M-2H+K"	36.948606
"835176"	201.991206	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-2H+K"	36.948606
"1565224"	201.991206	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+K-2H"	36.948606
"949827"	210.040794	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-H+HCOOH"	44.998194
"370228"	375.083401	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+HCOOH-H"	44.998201
"357395"	389.099051	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+Hac-H"	59.013851
"1497841"	224.056451	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Hac-H"	59.013851
"967215"	232.022751	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-H+NaCOOH"	66.980151
"117216"	200.012002	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+2Cl"	69.938804
"557869"	282.533302	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+2Cl"	69.938804
"1029948"	117.490702	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2Cl"	69.938804
"1251714"	243.961485	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Br"	78.918885
"1315255"	246.017472	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Cl+HCOOH"	80.974872
"1328374"	267.999429	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Cl+NaCOOH"	102.956829
"920526"	278.028186	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M-H+CF3COOH"	112.985586
"1296141"	314.004864	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Cl+CF3COOH"	148.962264
"1374302"	130.029924	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H-2H2O"	-35.012676
"1393985"	148.0399	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H-H2O"	-17.0027
"289299"	331.092476	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+H"	1.007276
"677101"	496.135076	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+H"	1.007276
"1353691"	166.049876	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H"	1.007276
"126003"	166.049876	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+2H"	2.014552
"566867"	248.571176	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+2H"	2.014552
"1037155"	83.528576	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2H"	2.014552
"217064"	111.035676	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+3H"	3.021828
"657719"	166.049876	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+3H"	3.021828
"1172563"	56.021476	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+3H"	3.021828
"432553"	348.119023	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+NH4"	18.033823
"793552"	513.161623	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+NH4"	18.033823
"1685872"	183.076423	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+NH4"	18.033823
"335244"	174.5631495	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+H+NH4"	19.041099
"727300"	257.0844495	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+H+NH4"	19.041099
"1484403"	92.0418495	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H+NH4"	19.041099
"396522"	353.074418	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+Na"	22.989218
"756059"	518.117018	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+Na"	22.989218
"1603791"	188.031818	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Na"	22.989218
"317837"	177.040847	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+H+Na"	23.996494
"711351"	259.562147	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+H+Na"	23.996494
"1464078"	94.519547	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H+Na"	23.996494
"1054411"	63.34879	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2H+Na"	25.00377
"1261195"	198.076086	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+CH3OH+H"	33.033486
"378058"	369.048358	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+K"	38.963158
"738730"	534.090958	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+K"	38.963158
"1540620"	204.005758	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+K"	38.963158
"299257"	185.027817	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+H+K"	39.970434
"691839"	267.549117	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+H+K"	39.970434
"1448416"	102.506517	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H+K"	39.970434
"237017"	372.119026	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+ACN+H"	42.033826
"1224202"	207.076426	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+ACN+H"	42.033826
"1209867"	104.041851	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+ACN+2H"	43.041102
"204222"	375.05636	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+2Na-H"	44.97116
"644046"	540.09896	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+2Na-H"	44.97116
"1143415"	210.01376	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2Na-H"	44.97116
"188057"	188.031818	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+2Na"	45.978436
"628402"	270.553118	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+2Na"	45.978436
"1131285"	105.510518	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2Na"	45.978436
"1411472"	70.676104	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H+2Na"	46.985712
"1445584"	212.055346	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H+HCOOH"	47.012746
"233290"	193.06484	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+3H2O+2H"	56.04448
"1523416"	226.10739	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+IsoProp+H"	61.06479
"417754"	196.018788	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+Na+K"	61.952376
"778021"	278.540088	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+Na+K"	61.952376
"1676174"	113.497488	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Na+K"	61.952376
"257225"	394.100968	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+ACN+Na"	64.015768
"1229205"	229.058368	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+ACN+Na"	64.015768
"1716999"	229.081893	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+NH4+HCOOH"	64.039293
"1180895"	78.003418	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+3Na"	68.967654
"1651884"	234.037288	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Na+HCOOH"	68.994688
"162392"	407.00424	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+2K-H"	76.91904
"602683"	572.04684	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+2K-H"	76.91904
"1091572"	241.96164	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2K-H"	76.91904
"150576"	204.005758	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"2M+2K"	77.926316
"595615"	286.527058	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"3M+2K"	77.926316
"1080126"	121.484458	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2K"	77.926316
"1114189"	243.976192	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2K+H"	78.933592
"1344253"	244.063807	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+DMSO+H"	79.021207
"1011688"	248.102976	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2ACN+H"	83.060376
"1531999"	249.096608	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+IsoProp+Na+H"	84.054008
"996263"	124.555126	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+2ACN+2H"	84.067652
"1592951"	250.011228	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+K+HCOOH"	84.968628
"1424078"	280.042738	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+H+CF3COOH"	115.000138
"1155459"	145.068401	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+3ACN+2H"	125.094202
"1702821"	297.069285	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+NH4+CF3COOH"	132.026685
"1643942"	302.02468	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+Na+CF3COOH"	136.98208
"1575219"	317.99862	"C03757"	"34-Dihydroxymandelonitrile"	"C8H7NO3"	"165.0426"	"M+K+CF3COOH"	152.95602
"805585"	153.079	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M"	0
"979117"	134.06061	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-H2O-H"	-19.01839
"67358"	101.045390666667	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M-3H"	-3.021828
"515672"	152.071724	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M-3H"	-3.021828
"893109"	50.0190573333333	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-3H"	-3.021828
"1117"	152.071724	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M-2H"	-2.014552
"448333"	228.611224	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M-2H"	-2.014552
"831245"	75.532224	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-2H"	-2.014552
"92694"	305.150724	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M-H"	-1.007276
"531887"	458.229724	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M-H"	-1.007276
"910785"	152.071724	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-H"	-1.007276
"61878"	322.177271	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M-2H+NH4"	16.019271
"499614"	475.256271	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M-2H+NH4"	16.019271
"875231"	169.098271	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-2H+NH4"	16.019271
"46415"	327.132666	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M-2H+Na"	20.974666
"485974"	480.211666	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M-2H+Na"	20.974666
"860129"	174.053666	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-2H+Na"	20.974666
"1626744"	174.053666	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Na-2H"	20.974666
"98898"	170.060063	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M-H+Cl"	33.962126
"542834"	246.599563	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M-H+Cl"	33.962126
"929787"	93.520563	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-H+Cl"	33.962126
"279286"	341.127402	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+Cl"	34.969402
"665145"	494.206402	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+Cl"	34.969402
"1277911"	188.048402	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Cl"	34.969402
"21199"	343.106606	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M-2H+K"	36.948606
"467325"	496.185606	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M-2H+K"	36.948606
"838566"	190.027606	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-2H+K"	36.948606
"1556949"	190.027606	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+K-2H"	36.948606
"948844"	198.077194	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-H+HCOOH"	44.998194
"363777"	351.156201	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+HCOOH-H"	44.998201
"352034"	365.171851	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+Hac-H"	59.013851
"1497951"	212.092851	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Hac-H"	59.013851
"968418"	220.059151	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-H+NaCOOH"	66.980151
"123887"	188.048402	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+2Cl"	69.938804
"556885"	264.587902	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+2Cl"	69.938804
"1026778"	111.508902	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2Cl"	69.938804
"1249637"	231.997885	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Br"	78.918885
"1316458"	234.053872	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Cl+HCOOH"	80.974872
"1329579"	256.035829	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Cl+NaCOOH"	102.956829
"921731"	266.064586	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M-H+CF3COOH"	112.985586
"1295158"	302.041264	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Cl+CF3COOH"	148.962264
"1371132"	118.066324	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H-2H2O"	-35.012676
"1390815"	136.0763	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H-H2O"	-17.0027
"291596"	307.165276	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+H"	1.007276
"675665"	460.244276	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+H"	1.007276
"1352098"	154.086276	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H"	1.007276
"126072"	154.086276	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+2H"	2.014552
"566248"	230.625776	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+2H"	2.014552
"1037427"	77.546776	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2H"	2.014552
"213894"	103.059942666667	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+3H"	3.021828
"658194"	154.086276	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+3H"	3.021828
"1172673"	52.0336093333333	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+3H"	3.021828
"432663"	324.191823	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+NH4"	18.033823
"794755"	477.270823	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+NH4"	18.033823
"1686711"	171.112823	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+NH4"	18.033823
"334990"	162.5995495	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+H+NH4"	19.041099
"728503"	239.1390495	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+H+NH4"	19.041099
"1481233"	86.0600495	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H+NH4"	19.041099
"396632"	329.147218	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+Na"	22.989218
"756169"	482.226218	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+Na"	22.989218
"1606818"	176.068218	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Na"	22.989218
"317218"	165.077247	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+H+Na"	23.996494
"709639"	241.616747	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+H+Na"	23.996494
"1463824"	88.537747	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H+Na"	23.996494
"1056345"	59.3609233333333	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2H+Na"	25.00377
"1259482"	186.112486	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+CH3OH+H"	33.033486
"377123"	345.121158	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+K"	38.963158
"738965"	498.200158	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+K"	38.963158
"1540489"	192.042158	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+K"	38.963158
"299125"	173.064217	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+H+K"	39.970434
"693613"	249.603717	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+H+K"	39.970434
"1451808"	96.524717	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H+K"	39.970434
"236520"	348.191826	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+ACN+H"	42.033826
"1224433"	195.112826	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+ACN+H"	42.033826
"1209497"	98.060051	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+ACN+2H"	43.041102
"203618"	351.12916	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+2Na-H"	44.97116
"638195"	504.20816	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+2Na-H"	44.97116
"1141338"	198.05016	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2Na-H"	44.97116
"188236"	176.068218	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+2Na"	45.978436
"628458"	252.607718	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+2Na"	45.978436
"1131249"	99.528718	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2Na"	45.978436
"1411582"	66.6882373333333	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H+2Na"	46.985712
"1445081"	200.091746	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H+HCOOH"	47.012746
"234856"	181.10124	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+3H2O+2H"	56.04448
"1520367"	214.14379	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+IsoProp+H"	61.06479
"414583"	184.055188	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+Na+K"	61.952376
"775215"	260.594688	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+Na+K"	61.952376
"1674098"	107.515688	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Na+K"	61.952376
"256606"	370.173768	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+ACN+Na"	64.015768
"1227129"	217.094768	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+ACN+Na"	64.015768
"1717109"	217.118293	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+NH4+HCOOH"	64.039293
"1180641"	74.0155513333333	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+3Na"	68.967654
"1652358"	222.073688	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Na+HCOOH"	68.994688
"162138"	383.07704	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+2K-H"	76.91904
"602793"	536.15604	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+2K-H"	76.91904
"1093869"	229.99804	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2K-H"	76.91904
"152872"	192.042158	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"2M+2K"	77.926316
"586969"	268.581658	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"3M+2K"	77.926316
"1081329"	115.502658	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2K"	77.926316
"1110166"	232.012592	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2K+H"	78.933592
"1343268"	232.100207	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+DMSO+H"	79.021207
"1009610"	236.139376	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2ACN+H"	83.060376
"1529921"	237.133008	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+IsoProp+Na+H"	84.054008
"995278"	118.573326	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+2ACN+2H"	84.067652
"1594155"	238.047628	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+K+HCOOH"	84.968628
"1424188"	268.079138	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+H+CF3COOH"	115.000138
"1155569"	139.086601	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+3ACN+2H"	125.094202
"1700744"	285.105685	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+NH4+CF3COOH"	132.026685
"1644052"	290.06108	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+Na+CF3COOH"	136.98208
"1575329"	306.03502	"C03758"	"Dopamine;4-(2-Aminoethyl)-12-benzenediol;4-(2-Aminoethyl)benzene-12-diol;34-Dihydroxyphenethylamine;2-(34-Dihydroxyphenyl)ethylamine"	"C8H11NO2"	"153.079"	"M+K+CF3COOH"	152.95602
"806788"	162.0528	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M"	0
"980320"	143.03441	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"72936"	107.027924	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"512502"	161.045524	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"890303"	53.010324	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"11064"	161.045524	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"450630"	242.071924	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"830625"	80.019124	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"90617"	323.098324	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"531512"	485.151124	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"910899"	161.045524	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"62237"	340.124871	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"499482"	502.177671	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"873154"	178.072071	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"42145"	345.080266	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"478425"	507.133066	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"859510"	183.027466	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1624668"	183.027466	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"99008"	179.033863	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"537478"	260.060263	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"930624"	98.007463	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"280127"	359.075002	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"672910"	521.127802	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1276566"	197.022202	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"18029"	361.054206	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"457594"	523.107006	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"838676"	199.001406	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1555845"	199.001406	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"946766"	207.050994	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"362063"	369.103801	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"354331"	383.119451	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1498791"	221.066651	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"969622"	229.032951	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"124970"	197.022202	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"554808"	278.048602	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1031262"	115.995802	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1249747"	240.971685	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1316568"	243.027672	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1329690"	265.009629	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"922935"	275.038386	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1296362"	311.015064	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1371242"	127.040124	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1390925"	145.0501	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"286238"	325.112876	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"676020"	487.165676	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1353909"	163.060076	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"126552"	163.060076	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"566721"	244.086476	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1038073"	82.033676	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"212911"	109.042476	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"657939"	163.060076	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1176065"	55.024876	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"434963"	342.139423	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"793772"	504.192223	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1685728"	180.086623	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"336195"	171.5733495	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"728616"	252.5997495	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1487905"	90.5469495	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"404398"	347.094818	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"767581"	509.147618	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1615683"	185.042018	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"327176"	174.051047	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"715951"	255.077447	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1469772"	93.024647	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1060830"	62.35219	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1259230"	195.086286	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"381083"	363.068758	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"741346"	525.121558	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1541212"	201.015958	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"305678"	182.038017	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"702474"	263.064417	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1454105"	101.011617	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"243801"	366.139426	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1216523"	204.086626	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1208551"	102.546951	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"198745"	369.07676	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"639034"	531.12956	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1139623"	207.02396	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"181818"	185.042018	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"627456"	266.068418	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1128166"	104.015618	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1407317"	69.679504	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1440899"	209.065546	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"231319"	190.07504	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1517195"	223.11759	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"413599"	193.028988	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"775325"	274.055388	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1668738"	112.002588	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"253797"	388.121368	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1233432"	226.068568	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1724506"	226.092093	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1179530"	77.006818	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1650520"	231.047488	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"162248"	401.02464	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"597918"	563.07744	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1090697"	238.97184	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"151527"	201.015958	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"583799"	282.042358	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1078158"	119.989558	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1112463"	240.986392	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1340463"	241.074007	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1007897"	245.113176	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1526751"	246.106808	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"993201"	123.060226	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1588793"	247.021428	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1416641"	277.052938	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1147292"	143.573501	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1697938"	294.079485	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1644162"	299.03488	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1575439"	315.00882	"C03761"	"3-Hydroxy-3-methylglutarate;3-Hydorxy-3-methylglutaric acid;beta-Hydroxy-beta-methylglutaric acid;Dicrotalic acid;3-Hydroxy-3-methylpentanedioic acid;Meglutol"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"816135"	154.0378	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M"	0
"985898"	135.01941	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-H2O-H"	-19.01839
"71954"	101.684590666667	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M-3H"	-3.021828
"512612"	153.030524	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M-3H"	-3.021828
"887132"	50.3386573333333	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-3H"	-3.021828
"11174"	153.030524	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M-2H"	-2.014552
"447460"	230.049424	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M-2H"	-2.014552
"831590"	76.011624	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-2H"	-2.014552
"93524"	307.068324	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M-H"	-1.007276
"531988"	461.106124	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M-H"	-1.007276
"910527"	153.030524	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-H"	-1.007276
"62844"	324.094871	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M-2H+NH4"	16.019271
"494367"	478.132671	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M-2H+NH4"	16.019271
"876910"	170.057071	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-2H+NH4"	16.019271
"41162"	329.050266	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M-2H+Na"	20.974666
"478535"	483.088066	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M-2H+Na"	20.974666
"858527"	175.012466	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-2H+Na"	20.974666
"1625873"	175.012466	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Na-2H"	20.974666
"100214"	171.018863	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M-H+Cl"	33.962126
"538681"	248.037763	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M-H+Cl"	33.962126
"930005"	93.999963	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-H+Cl"	33.962126
"280116"	343.045002	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+Cl"	34.969402
"673020"	497.082802	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+Cl"	34.969402
"1276677"	189.007202	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Cl"	34.969402
"19232"	345.024206	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M-2H+K"	36.948606
"466452"	499.062006	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M-2H+K"	36.948606
"835506"	190.986406	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-2H+K"	36.948606
"1556076"	190.986406	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+K-2H"	36.948606
"947969"	199.035994	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-H+HCOOH"	44.998194
"361930"	353.073801	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+HCOOH-H"	44.998201
"356628"	367.089451	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+Hac-H"	59.013851
"1502181"	213.051651	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Hac-H"	59.013851
"971919"	221.017951	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-H+NaCOOH"	66.980151
"125082"	189.007202	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+2Cl"	69.938804
"556012"	266.026102	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+2Cl"	69.938804
"1030278"	111.988302	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2Cl"	69.938804
"1253137"	232.956685	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Br"	78.918885
"1318137"	235.012672	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Cl+HCOOH"	80.974872
"1331624"	256.994629	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Cl+NaCOOH"	102.956829
"919765"	267.023386	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M-H+CF3COOH"	112.985586
"1296472"	303.000064	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Cl+CF3COOH"	148.962264
"1373539"	119.025124	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H-2H2O"	-35.012676
"1387755"	137.0351	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H-H2O"	-17.0027
"287443"	309.082876	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+H"	1.007276
"676291"	463.120676	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+H"	1.007276
"1353651"	155.045076	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H"	1.007276
"127270"	155.045076	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+2H"	2.014552
"568293"	232.063976	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+2H"	2.014552
"1038546"	78.026176	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2H"	2.014552
"213021"	103.699142666667	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+3H"	3.021828
"658051"	155.045076	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+3H"	3.021828
"1175812"	52.3532093333333	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+3H"	3.021828
"431793"	326.109423	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+NH4"	18.033823
"792789"	480.147223	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+NH4"	18.033823
"1686933"	172.071623	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+NH4"	18.033823
"339586"	163.5583495	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+H+NH4"	19.041099
"735287"	240.5772495	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+H+NH4"	19.041099
"1486921"	86.5394495	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H+NH4"	19.041099
"407066"	331.064818	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+Na"	22.989218
"767328"	485.102618	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+Na"	22.989218
"1615797"	177.027018	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Na"	22.989218
"327656"	166.036047	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+H+Na"	23.996494
"716061"	243.054947	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+H+Na"	23.996494
"1474625"	89.017147	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H+Na"	23.996494
"1064952"	59.6805233333333	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2H+Na"	25.00377
"1262620"	187.071286	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+CH3OH+H"	33.033486
"381195"	347.038758	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+K"	38.963158
"743283"	501.076558	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+K"	38.963158
"1542052"	193.000958	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+K"	38.963158
"304695"	174.023017	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+H+K"	39.970434
"701491"	251.041917	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+H+K"	39.970434
"1454217"	97.004117	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H+K"	39.970434
"243911"	350.109426	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+ACN+H"	42.033826
"1216633"	196.071626	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+ACN+H"	42.033826
"1208903"	98.539451	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+ACN+2H"	43.041102
"201407"	353.04676	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+2Na-H"	44.97116
"636228"	507.08456	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+2Na-H"	44.97116
"1136453"	199.00896	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2Na-H"	44.97116
"178648"	177.027018	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+2Na"	45.978436
"619302"	254.045918	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+2Na"	45.978436
"1128276"	100.008118	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2Na"	45.978436
"1408521"	67.0078373333333	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H+2Na"	46.985712
"1441009"	201.050546	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H+HCOOH"	47.012746
"232158"	182.06004	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+3H2O+2H"	56.04448
"1519128"	215.10259	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+IsoProp+H"	61.06479
"415896"	185.013988	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+Na+K"	61.952376
"776893"	262.032888	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+Na+K"	61.952376
"1669941"	107.995088	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Na+K"	61.952376
"260834"	372.091368	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+ACN+Na"	64.015768
"1232450"	218.053568	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+ACN+Na"	64.015768
"1718056"	218.077093	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+NH4+HCOOH"	64.039293
"1182318"	74.3351513333333	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+3Na"	68.967654
"1651115"	223.032488	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Na+HCOOH"	68.994688
"159442"	384.99464	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+2K-H"	76.91904
"598149"	539.03244	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+2K-H"	76.91904
"1090807"	230.95684	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2K-H"	76.91904
"152366"	193.000958	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"2M+2K"	77.926316
"587189"	270.019858	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"3M+2K"	77.926316
"1078268"	115.982058	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2K"	77.926316
"1114885"	232.971392	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2K+H"	78.933592
"1340573"	233.059007	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+DMSO+H"	79.021207
"1007277"	237.098176	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2ACN+H"	83.060376
"1527954"	238.091808	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+IsoProp+Na+H"	84.054008
"992582"	119.052726	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+2ACN+2H"	84.067652
"1588176"	239.006428	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+K+HCOOH"	84.968628
"1416751"	269.037938	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+H+CF3COOH"	115.000138
"1147199"	139.566001	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+3ACN+2H"	125.094202
"1699871"	286.064485	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+NH4+CF3COOH"	132.026685
"1637711"	291.01988	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+Na+CF3COOH"	136.98208
"1575549"	306.99382	"C03762"	"3-Imidazole-2-oxopropanoate"	"C6H6N2O3"	"154.0378"	"M+K+CF3COOH"	152.95602
"809195"	225.1266	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M"	0
"986008"	206.10821	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-H2O-H"	-19.01839
"66596"	149.077124	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M-3H"	-3.021828
"512722"	224.119324	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M-3H"	-3.021828
"883962"	74.034924	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-3H"	-3.021828
"8004"	224.119324	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M-2H"	-2.014552
"444283"	336.682624	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M-2H"	-2.014552
"827563"	111.556024	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-2H"	-2.014552
"93629"	449.245924	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M-H"	-1.007276
"532946"	674.372524	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M-H"	-1.007276
"910021"	224.119324	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-H"	-1.007276
"60385"	466.272471	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M-2H+NH4"	16.019271
"498850"	691.399071	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M-2H+NH4"	16.019271
"876654"	241.145871	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-2H+NH4"	16.019271
"43459"	471.227866	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M-2H+Na"	20.974666
"479738"	696.354466	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M-2H+Na"	20.974666
"858636"	246.101266	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-2H+Na"	20.974666
"1627075"	246.101266	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Na-2H"	20.974666
"100323"	242.107663	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M-H+Cl"	33.962126
"536967"	354.670963	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M-H+Cl"	33.962126
"933395"	129.544363	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-H+Cl"	33.962126
"279617"	485.222602	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+Cl"	34.969402
"664383"	710.349202	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+Cl"	34.969402
"1280067"	260.096002	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Cl"	34.969402
"18249"	487.201806	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M-2H+K"	36.948606
"464375"	712.328406	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M-2H+K"	36.948606
"842176"	262.075206	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-2H+K"	36.948606
"1561289"	262.075206	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+K-2H"	36.948606
"952452"	270.124794	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-H+HCOOH"	44.998194
"361912"	495.251401	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+HCOOH-H"	44.998201
"355644"	509.267051	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+Hac-H"	59.013851
"1502291"	284.140451	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Hac-H"	59.013851
"963646"	292.106751	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-H+NaCOOH"	66.980151
"115470"	260.096002	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+2Cl"	69.938804
"552477"	372.659302	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+2Cl"	69.938804
"1024556"	147.532702	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2Cl"	69.938804
"1245593"	304.045485	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Br"	78.918885
"1315696"	306.101472	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Cl+HCOOH"	80.974872
"1326630"	328.083429	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Cl+NaCOOH"	102.956829
"920968"	338.112186	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M-H+CF3COOH"	112.985586
"1295488"	374.088864	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Cl+CF3COOH"	148.962264
"1371462"	190.113924	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H-2H2O"	-35.012676
"1383490"	208.1239	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H-H2O"	-17.0027
"286458"	451.260476	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+H"	1.007276
"676199"	676.387076	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+H"	1.007276
"1352182"	226.133876	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H"	1.007276
"129202"	226.133876	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+2H"	2.014552
"567308"	338.697176	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+2H"	2.014552
"1037925"	113.570576	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2H"	2.014552
"214224"	151.091676	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+3H"	3.021828
"658040"	226.133876	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+3H"	3.021828
"1175192"	76.049476	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+3H"	3.021828
"432996"	468.287023	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+NH4"	18.033823
"793992"	693.413623	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+NH4"	18.033823
"1687043"	243.160423	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+NH4"	18.033823
"340789"	234.6471495	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+H+NH4"	19.041099
"735397"	347.2104495	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+H+NH4"	19.041099
"1484844"	122.0838495	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H+NH4"	19.041099
"408148"	473.242418	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+Na"	22.989218
"769585"	698.369018	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+Na"	22.989218
"1617852"	248.115818	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Na"	22.989218
"328859"	237.124847	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+H+Na"	23.996494
"718358"	349.688147	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+H+Na"	23.996494
"1475098"	124.561547	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H+Na"	23.996494
"1066156"	83.37679	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2H+Na"	25.00377
"1266010"	258.160086	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+CH3OH+H"	33.033486
"381305"	489.216358	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+K"	38.963158
"742300"	714.342958	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+K"	38.963158
"1542165"	264.089758	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+K"	38.963158
"303714"	245.111817	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+H+K"	39.970434
"701601"	357.675117	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+H+K"	39.970434
"1458701"	132.548517	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H+K"	39.970434
"242927"	492.287026	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+ACN+H"	42.033826
"1216743"	267.160426	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+ACN+H"	42.033826
"1209301"	134.083851	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+ACN+2H"	43.041102
"198965"	495.22436	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+2Na-H"	44.97116
"637432"	720.35096	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+2Na-H"	44.97116
"1143124"	270.09776	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2Na-H"	44.97116
"179122"	248.115818	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+2Na"	45.978436
"619776"	360.679118	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+2Na"	45.978436
"1127293"	135.552518	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2Na"	45.978436
"1411911"	90.704104	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H+2Na"	46.985712
"1439655"	272.139346	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H+HCOOH"	47.012746
"232998"	253.14884	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+3H2O+2H"	56.04448
"1517412"	286.19139	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+IsoProp+H"	61.06479
"418192"	256.102788	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+Na+K"	61.952376
"776274"	368.666088	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+Na+K"	61.952376
"1670415"	143.539488	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Na+K"	61.952376
"257297"	514.268968	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+ACN+Na"	64.015768
"1232560"	289.142368	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+ACN+Na"	64.015768
"1719259"	289.165893	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+NH4+HCOOH"	64.039293
"1183885"	98.031418	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+3Na"	68.967654
"1653418"	294.121288	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Na+HCOOH"	68.994688
"162468"	527.17224	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+2K-H"	76.91904
"598623"	752.29884	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+2K-H"	76.91904
"1093103"	302.04564	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2K-H"	76.91904
"155391"	264.089758	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"2M+2K"	77.926316
"587300"	376.653058	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"3M+2K"	77.926316
"1072909"	151.526458	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2K"	77.926316
"1114753"	304.060192	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2K+H"	78.933592
"1341412"	304.147807	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+DMSO+H"	79.021207
"1006899"	308.186976	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2ACN+H"	83.060376
"1526241"	309.180608	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+IsoProp+Na+H"	84.054008
"993421"	154.597126	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+2ACN+2H"	84.067652
"1588651"	310.095228	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+K+HCOOH"	84.968628
"1414916"	340.126738	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+H+CF3COOH"	115.000138
"1147108"	175.110401	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+3ACN+2H"	125.094202
"1698159"	357.153285	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+NH4+CF3COOH"	132.026685
"1637821"	362.10868	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+Na+CF3COOH"	136.98208
"1575659"	378.08262	"C03764"	"para-(Dimethylamino)azobenzene;NN-Dimethyl-4-(phenylazo)benzenamine;Dimethyl yellow;Methyl yellow;4-(Dimethylamino)phenylazobenzene"	"C14H15N3"	"225.1266"	"M+K+CF3COOH"	152.95602
"806025"	136.0524	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M"	0
"986119"	117.03401	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"65613"	89.694324	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"509552"	135.045124	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"880792"	44.343524	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"8114"	135.045124	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"442570"	203.071324	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"828766"	67.018924	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"92037"	271.097524	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"531597"	407.149924	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"907215"	135.045124	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"60495"	288.124071	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"496773"	424.176471	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"873484"	152.071671	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"41382"	293.079466	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"477661"	429.131866	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"857651"	157.027066	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1624997"	157.027066	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"97153"	153.033463	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"535253"	221.059663	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"930225"	85.007263	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"276446"	307.074202	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"667773"	443.126602	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1276896"	171.021802	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"18480"	309.053406	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"464485"	445.105806	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"842286"	173.001006	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1564680"	173.001006	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"952562"	181.050594	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"361783"	317.103001	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"354661"	331.118651	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1499121"	195.066251	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"968860"	203.032551	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"119954"	171.021802	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"552587"	239.048002	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1031592"	102.995602	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1251171"	214.971285	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1315806"	217.027272	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1327833"	239.009229	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"922171"	249.037986	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1293412"	285.014664	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1372665"	101.039724	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1384693"	119.0497	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"286568"	273.112076	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"676795"	409.164476	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1352413"	137.059676	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"126396"	137.059676	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"568147"	205.085876	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1039497"	69.033476	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"212147"	91.708876	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"658272"	137.059676	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1174574"	46.358076	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"434930"	290.138623	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"793008"	426.191023	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1687517"	154.086223	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"338712"	145.5729495	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"730039"	213.5991495	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1482767"	77.5467495	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"399258"	295.094018	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"768641"	431.146418	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1616009"	159.041618	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"328607"	148.050647	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"718468"	216.076847	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1476832"	80.024447	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1067359"	53.68539	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1263934"	169.085886	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"381415"	311.067958	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"746784"	447.120358	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1544462"	175.015558	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"308195"	156.037617	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"702804"	224.063817	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1458811"	88.011417	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"241944"	314.138626	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1222320"	178.086226	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1209783"	89.546751	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"201993"	317.07596	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"639729"	453.12836	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1142141"	181.02356	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"178868"	159.041618	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"619522"	227.067818	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1123028"	91.015418	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1406553"	61.012704	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1444018"	183.065146	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"231650"	164.07464	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1518616"	197.11719	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"417210"	167.028588	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"774927"	235.054788	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1670526"	99.002388	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"257774"	336.120568	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1231211"	200.068168	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1722650"	200.091693	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1190196"	68.340018	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1651706"	205.047088	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"162578"	349.02384	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"597520"	485.07624	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1089934"	212.97144	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"154773"	175.015558	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"588504"	243.041758	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1073019"	106.989358	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1113885"	214.985992	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1341522"	215.073607	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1006643"	219.112776	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1525622"	220.106408	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"993531"	110.060026	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1590220"	221.021028	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1414661"	251.052538	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1147742"	130.573301	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1697904"	268.079085	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1637931"	273.03448	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1575769"	289.00842	"C03765"	"4-Hydroxyphenylacetaldehyde;2-(4-Hydroxyphenyl)acetaldehyde"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"812696"	133.0528	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M"	0
"988052"	114.03441	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-H2O-H"	-19.01839
"65723"	87.6945906666667	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M-3H"	-3.021828
"517322"	132.045524	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M-3H"	-3.021828
"895205"	43.3436573333333	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-3H"	-3.021828
"15157"	132.045524	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M-2H"	-2.014552
"454717"	198.571924	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M-2H"	-2.014552
"823404"	65.519124	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-2H"	-2.014552
"91053"	265.098324	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M-H"	-1.007276
"531707"	398.151124	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M-H"	-1.007276
"909510"	132.045524	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-H"	-1.007276
"62066"	282.124871	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M-2H+NH4"	16.019271
"497976"	415.177671	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M-2H+NH4"	16.019271
"877118"	149.072071	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-2H+NH4"	16.019271
"41492"	287.080266	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M-2H+Na"	20.974666
"477771"	420.133066	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M-2H+Na"	20.974666
"856668"	154.027466	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-2H+Na"	20.974666
"1626203"	154.027466	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Na-2H"	20.974666
"101637"	150.033863	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M-H+Cl"	33.962126
"539011"	216.560263	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M-H+Cl"	33.962126
"930337"	83.507463	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-H+Cl"	33.962126
"279837"	301.075002	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+Cl"	34.969402
"673352"	434.127802	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+Cl"	34.969402
"1287340"	168.022202	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Cl"	34.969402
"30380"	303.054206	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M-2H+K"	36.948606
"464594"	436.107006	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M-2H+K"	36.948606
"846406"	170.001406	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-2H+K"	36.948606
"1568070"	170.001406	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+K-2H"	36.948606
"952672"	178.050994	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-H+HCOOH"	44.998194
"367607"	311.103801	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+HCOOH-H"	44.998201
"354771"	325.119451	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+Hac-H"	59.013851
"1497042"	192.066651	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Hac-H"	59.013851
"967876"	200.032951	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-H+NaCOOH"	66.980151
"121155"	168.022202	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+2Cl"	69.938804
"563632"	234.548602	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+2Cl"	69.938804
"1034981"	101.495802	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2Cl"	69.938804
"1251281"	211.971685	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Br"	78.918885
"1317009"	214.027672	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Cl+HCOOH"	80.974872
"1325757"	236.009629	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Cl+NaCOOH"	102.956829
"925197"	246.038386	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M-H+CF3COOH"	112.985586
"1296802"	282.015064	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Cl+CF3COOH"	148.962264
"1373869"	98.040124	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H-2H2O"	-35.012676
"1391364"	116.0501	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H-H2O"	-17.0027
"289958"	267.112876	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+H"	1.007276
"681285"	400.165676	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+H"	1.007276
"1352530"	134.060076	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H"	1.007276
"129426"	134.060076	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+2H"	2.014552
"567896"	200.586476	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+2H"	2.014552
"1039974"	67.533676	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2H"	2.014552
"219309"	89.7091426666667	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+3H"	3.021828
"659598"	134.060076	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+3H"	3.021828
"1173591"	45.3582093333333	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+3H"	3.021828
"438688"	284.139423	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+NH4"	18.033823
"794214"	417.192223	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+NH4"	18.033823
"1692731"	151.086623	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+NH4"	18.033823
"338822"	142.5733495	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+H+NH4"	19.041099
"735253"	209.0997495	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+H+NH4"	19.041099
"1483968"	76.0469495	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H+NH4"	19.041099
"398276"	289.094818	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+Na"	22.989218
"769117"	422.147618	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+Na"	22.989218
"1615756"	156.042018	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Na"	22.989218
"328348"	145.051047	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+H+Na"	23.996494
"721133"	211.577447	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+H+Na"	23.996494
"1476417"	78.524647	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H+Na"	23.996494
"1065282"	52.6855233333333	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2H+Na"	25.00377
"1269513"	166.086286	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+CH3OH+H"	33.033486
"385901"	305.068758	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+K"	38.963158
"742521"	438.121558	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+K"	38.963158
"1544572"	172.015958	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+K"	38.963158
"307214"	153.038017	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+H+K"	39.970434
"700727"	219.564417	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+H+K"	39.970434
"1458921"	86.511617	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H+K"	39.970434
"242418"	308.139426	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+ACN+H"	42.033826
"1223890"	175.086626	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+ACN+H"	42.033826
"1208992"	88.046951	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+ACN+2H"	43.041102
"200282"	311.07676	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+2Na-H"	44.97116
"636560"	444.12956	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+2Na-H"	44.97116
"1144077"	178.02396	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2Na-H"	44.97116
"186884"	156.042018	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+2Na"	45.978436
"625103"	222.568418	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+2Na"	45.978436
"1127515"	89.515618	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2Na"	45.978436
"1408852"	60.0128373333333	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H+2Na"	46.985712
"1438784"	180.065546	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H+HCOOH"	47.012746
"229574"	161.07504	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+3H2O+2H"	56.04448
"1516542"	194.11759	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+IsoProp+H"	61.06479
"417323"	164.028988	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+Na+K"	61.952376
"779411"	230.555388	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+Na+K"	61.952376
"1671368"	97.502588	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Na+K"	61.952376
"257888"	330.121368	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+ACN+Na"	64.015768
"1230595"	197.068568	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+ACN+Na"	64.015768
"1718022"	197.092093	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+NH4+HCOOH"	64.039293
"1186658"	67.3401513333333	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+3Na"	68.967654
"1658013"	202.047488	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Na+HCOOH"	68.994688
"170346"	343.02464	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+2K-H"	76.91904
"611002"	476.07744	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+2K-H"	76.91904
"1094419"	209.97184	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2K-H"	76.91904
"156833"	172.015958	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"2M+2K"	77.926316
"590801"	238.542358	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"3M+2K"	77.926316
"1070211"	105.489558	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2K"	77.926316
"1110715"	211.986392	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2K+H"	78.933592
"1340537"	212.074007	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+DMSO+H"	79.021207
"1007607"	216.113176	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2ACN+H"	83.060376
"1527555"	217.106808	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+IsoProp+Na+H"	84.054008
"995828"	108.560226	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+2ACN+2H"	84.067652
"1590330"	218.021428	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+K+HCOOH"	84.968628
"1415989"	248.052938	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+H+CF3COOH"	115.000138
"1147611"	129.073501	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+3ACN+2H"	125.094202
"1698015"	265.079485	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+NH4+CF3COOH"	132.026685
"1638041"	270.03488	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+Na+CF3COOH"	136.98208
"1575879"	286.00882	"C03766"	"4-Hydroxyphenylacetonitrile;4-Hydroxybenzyl cyanide"	"C8H7NO"	"133.0528"	"M+K+CF3COOH"	152.95602
"812806"	142.063	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M"	0
"989134"	123.04461	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-H2O-H"	-19.01839
"66926"	93.7013906666667	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M-3H"	-3.021828
"516335"	141.055724	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M-3H"	-3.021828
"894744"	46.3470573333333	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-3H"	-3.021828
"13806"	141.055724	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M-2H"	-2.014552
"453364"	212.087224	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M-2H"	-2.014552
"828982"	70.024224	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-2H"	-2.014552
"91165"	283.118724	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M-H"	-1.007276
"531699"	425.181724	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M-H"	-1.007276
"908405"	141.055724	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-H"	-1.007276
"58525"	300.145271	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M-2H+NH4"	16.019271
"500640"	442.208271	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M-2H+NH4"	16.019271
"878567"	158.082271	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-2H+NH4"	16.019271
"45251"	305.100666	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M-2H+Na"	20.974666
"481164"	447.163666	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M-2H+Na"	20.974666
"856778"	163.037666	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-2H+Na"	20.974666
"1626313"	163.037666	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Na-2H"	20.974666
"100654"	159.044063	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M-H+Cl"	33.962126
"538030"	230.075563	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M-H+Cl"	33.962126
"930450"	88.012563	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-H+Cl"	33.962126
"281772"	319.095402	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+Cl"	34.969402
"674557"	461.158402	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+Cl"	34.969402
"1282585"	177.032402	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Cl"	34.969402
"31181"	321.074606	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M-2H+K"	36.948606
"465798"	463.137606	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M-2H+K"	36.948606
"839225"	179.011606	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-2H+K"	36.948606
"1560526"	179.011606	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+K-2H"	36.948606
"950596"	187.061194	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-H+HCOOH"	44.998194
"370999"	329.124201	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+HCOOH-H"	44.998201
"355974"	343.139851	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+Hac-H"	59.013851
"1496423"	201.076851	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Hac-H"	59.013851
"965798"	209.043151	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-H+NaCOOH"	66.980151
"124546"	177.032402	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+2Cl"	69.938804
"564835"	248.063902	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+2Cl"	69.938804
"1036875"	106.000902	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2Cl"	69.938804
"1256130"	220.981885	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Br"	78.918885
"1317119"	223.037872	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Cl+HCOOH"	80.974872
"1325867"	245.019829	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Cl+NaCOOH"	102.956829
"925307"	255.048586	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M-H+CF3COOH"	112.985586
"1296912"	291.025264	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Cl+CF3COOH"	148.962264
"1375072"	107.050324	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H-2H2O"	-35.012676
"1391474"	125.0603	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H-H2O"	-17.0027
"288246"	285.133276	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+H"	1.007276
"681396"	427.196276	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+H"	1.007276
"1355558"	143.070276	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H"	1.007276
"129903"	143.070276	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+2H"	2.014552
"569099"	214.101776	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+2H"	2.014552
"1040814"	72.038776	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2H"	2.014552
"218812"	95.7159426666667	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+3H"	3.021828
"658738"	143.070276	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+3H"	3.021828
"1174794"	48.3616093333333	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+3H"	3.021828
"437948"	302.159823	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+NH4"	18.033823
"794324"	444.222823	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+NH4"	18.033823
"1689561"	160.096823	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+NH4"	18.033823
"336745"	151.5835495	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+H+NH4"	19.041099
"734634"	222.6150495	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+H+NH4"	19.041099
"1481891"	80.5520495	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H+NH4"	19.041099
"402761"	307.115218	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+Na"	22.989218
"767405"	449.178218	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+Na"	22.989218
"1612949"	165.052218	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Na"	22.989218
"328705"	154.061247	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+H+Na"	23.996494
"720515"	225.092747	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+H+Na"	23.996494
"1475314"	83.029747	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H+Na"	23.996494
"1063568"	55.6889233333333	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2H+Na"	25.00377
"1268895"	175.096486	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+CH3OH+H"	33.033486
"387834"	323.089158	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+K"	38.963158
"744818"	465.152158	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+K"	38.963158
"1544682"	181.026158	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+K"	38.963158
"307324"	162.048217	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+H+K"	39.970434
"698650"	233.079717	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+H+K"	39.970434
"1459396"	91.016717	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H+K"	39.970434
"243258"	326.159826	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+ACN+H"	42.033826
"1223636"	184.096826	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+ACN+H"	42.033826
"1209631"	92.552051	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+ACN+2H"	43.041102
"200391"	329.09716	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+2Na-H"	44.97116
"638857"	471.16016	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+2Na-H"	44.97116
"1142362"	187.03416	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2Na-H"	44.97116
"185532"	165.052218	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+2Na"	45.978436
"626916"	236.083718	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+2Na"	45.978436
"1127261"	94.020718	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2Na"	45.978436
"1412120"	63.0162373333333	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H+2Na"	46.985712
"1438894"	189.075746	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H+HCOOH"	47.012746
"229684"	170.08524	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+3H2O+2H"	56.04448
"1518838"	203.12779	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+IsoProp+H"	61.06479
"416339"	173.039188	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+Na+K"	61.952376
"775146"	244.070688	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+Na+K"	61.952376
"1671478"	102.007688	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Na+K"	61.952376
"257998"	348.141768	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+ACN+Na"	64.015768
"1231070"	206.078768	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+ACN+Na"	64.015768
"1719591"	206.102293	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+NH4+HCOOH"	64.039293
"1183851"	70.3435513333333	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+3Na"	68.967654
"1657030"	211.057688	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Na+HCOOH"	68.994688
"170334"	361.04504	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+2K-H"	76.91904
"611475"	503.10804	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+2K-H"	76.91904
"1094529"	218.98204	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2K-H"	76.91904
"156821"	181.026158	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"2M+2K"	77.926316
"595530"	252.057658	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"3M+2K"	77.926316
"1074332"	109.994658	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2K"	77.926316
"1110825"	220.996592	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2K+H"	78.933592
"1345022"	221.084207	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+DMSO+H"	79.021207
"1009177"	225.123376	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2ACN+H"	83.060376
"1527301"	226.117008	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+IsoProp+Na+H"	84.054008
"997032"	113.065326	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+2ACN+2H"	84.067652
"1591534"	227.031628	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+K+HCOOH"	84.968628
"1416100"	257.063138	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+H+CF3COOH"	115.000138
"1152948"	133.578601	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+3ACN+2H"	125.094202
"1698125"	274.089685	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+NH4+CF3COOH"	132.026685
"1646899"	279.04508	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+Na+CF3COOH"	136.98208
"1575989"	295.01902	"C03767"	"4-Oxocyclohexanecarboxylate"	"C7H10O3"	"142.063"	"M+K+CF3COOH"	152.95602
"809636"	173.08	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M"	0
"989204"	154.06161	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-H2O-H"	-19.01839
"71417"	114.379390666667	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M-3H"	-3.021828
"512070"	172.072724	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M-3H"	-3.021828
"895493"	56.6860573333333	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-3H"	-3.021828
"8447"	172.072724	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M-2H"	-2.014552
"452387"	258.612724	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M-2H"	-2.014552
"828002"	85.532724	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-2H"	-2.014552
"90181"	345.152724	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M-H"	-1.007276
"530473"	518.232724	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M-H"	-1.007276
"906450"	172.072724	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-H"	-1.007276
"60463"	362.179271	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M-2H+NH4"	16.019271
"497108"	535.259271	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M-2H+NH4"	16.019271
"874544"	189.099271	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-2H+NH4"	16.019271
"40986"	367.134666	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M-2H+Na"	20.974666
"477994"	540.214666	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M-2H+Na"	20.974666
"855795"	194.054666	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-2H+Na"	20.974666
"1622050"	194.054666	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Na-2H"	20.974666
"98581"	190.061063	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M-H+Cl"	33.962126
"534315"	276.601063	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M-H+Cl"	33.962126
"940777"	103.521063	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-H+Cl"	33.962126
"280058"	381.129402	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+Cl"	34.969402
"673573"	554.209402	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+Cl"	34.969402
"1283789"	208.049402	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Cl"	34.969402
"28171"	383.108606	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M-2H+K"	36.948606
"462628"	556.188606	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M-2H+K"	36.948606
"836054"	210.028606	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-2H+K"	36.948606
"1560636"	210.028606	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+K-2H"	36.948606
"946332"	218.078194	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-H+HCOOH"	44.998194
"363452"	391.158201	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+HCOOH-H"	44.998201
"356088"	405.173851	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+Hac-H"	59.013851
"1502740"	232.093851	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Hac-H"	59.013851
"962628"	240.060151	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-H+NaCOOH"	66.980151
"114815"	208.049402	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+2Cl"	69.938804
"563121"	294.589402	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+2Cl"	69.938804
"1035200"	121.509402	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2Cl"	69.938804
"1252594"	251.998885	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Br"	78.918885
"1315040"	254.054872	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Cl+HCOOH"	80.974872
"1328163"	276.036829	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Cl+NaCOOH"	102.956829
"917032"	286.065586	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M-H+CF3COOH"	112.985586
"1294834"	322.042264	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Cl+CF3COOH"	148.962264
"1374089"	138.067324	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H-2H2O"	-35.012676
"1388306"	156.0773	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H-H2O"	-17.0027
"286898"	347.167276	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+H"	1.007276
"676402"	520.247276	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+H"	1.007276
"1353478"	174.087276	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H"	1.007276
"127100"	174.087276	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+2H"	2.014552
"568116"	260.627276	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+2H"	2.014552
"1050783"	87.547276	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2H"	2.014552
"218318"	116.393942666667	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+3H"	3.021828
"658243"	174.087276	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+3H"	3.021828
"1176607"	58.7006093333333	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+3H"	3.021828
"437813"	364.193823	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+NH4"	18.033823
"796620"	537.273823	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+NH4"	18.033823
"1694774"	191.113823	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+NH4"	18.033823
"337948"	182.6005495	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+H+NH4"	19.041099
"729278"	269.1405495	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+H+NH4"	19.041099
"1483099"	96.0605495	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H+NH4"	19.041099
"407946"	369.149218	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+Na"	22.989218
"766055"	542.229218	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+Na"	22.989218
"1610873"	196.069218	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Na"	22.989218
"328818"	185.078247	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+H+Na"	23.996494
"719166"	271.618247	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+H+Na"	23.996494
"1475666"	98.538247	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H+Na"	23.996494
"1064777"	66.0279233333333	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2H+Na"	25.00377
"1265359"	206.113486	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+CH3OH+H"	33.033486
"385025"	385.123158	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+K"	38.963158
"747114"	558.203158	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+K"	38.963158
"1548072"	212.043158	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+K"	38.963158
"304155"	193.065217	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+H+K"	39.970434
"697667"	279.605217	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+H+K"	39.970434
"1455860"	106.525217	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H+K"	39.970434
"245205"	388.193826	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+ACN+H"	42.033826
"1223018"	215.113826	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+ACN+H"	42.033826
"1203254"	108.060551	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+ACN+2H"	43.041102
"200135"	391.13116	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+2Na-H"	44.97116
"637872"	564.21116	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+2Na-H"	44.97116
"1142470"	218.05116	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2Na-H"	44.97116
"185521"	196.069218	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+2Na"	45.978436
"620586"	282.609218	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+2Na"	45.978436
"1127007"	109.529218	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2Na"	45.978436
"1410167"	73.3552373333333	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H+2Na"	46.985712
"1436816"	220.092746	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H+HCOOH"	47.012746
"227604"	201.10224	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+3H2O+2H"	56.04448
"1516762"	234.14479	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+IsoProp+H"	61.06479
"413169"	204.056188	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+Na+K"	61.952376
"773797"	290.596188	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+Na+K"	61.952376
"1669760"	117.516188	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Na+K"	61.952376
"254093"	410.175768	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+ACN+Na"	64.015768
"1227166"	237.095768	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+ACN+Na"	64.015768
"1714960"	237.119293	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+NH4+HCOOH"	64.039293
"1187248"	80.6825513333333	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+3Na"	68.967654
"1661518"	242.074688	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Na+HCOOH"	68.994688
"170567"	423.07904	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+2K-H"	76.91904
"612282"	596.15904	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+2K-H"	76.91904
"1099475"	249.99904	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2K-H"	76.91904
"151463"	212.043158	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"2M+2K"	77.926316
"589932"	298.583158	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"3M+2K"	77.926316
"1083562"	125.503158	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2K"	77.926316
"1110935"	252.013592	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2K+H"	78.933592
"1342945"	252.101207	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+DMSO+H"	79.021207
"1013663"	256.140376	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2ACN+H"	83.060376
"1529601"	257.134008	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+IsoProp+Na+H"	84.054008
"993859"	128.573826	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+2ACN+2H"	84.067652
"1591643"	258.048628	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+K+HCOOH"	84.968628
"1416209"	288.080138	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+H+CF3COOH"	115.000138
"1147179"	149.087101	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+3ACN+2H"	125.094202
"1703706"	305.106685	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+NH4+CF3COOH"	132.026685
"1644823"	310.06208	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+Na+CF3COOH"	136.98208
"1576100"	326.03602	"C03771"	"5-Guanidino-2-oxopentanoate;5-Guanidino-2-oxo-pentanoate;2-Oxo-5-guanidinopentanoate;2-Oxo-5-guanidino-pentanoate;2-Oxoarginine"	"C6H11N3O3"	"173.08"	"M+K+CF3COOH"	152.95602
"806466"	288.2089	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M"	0
"989475"	269.19051	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"72620"	191.131990666667	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"513273"	287.201624	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"895088"	95.0623573333333	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"11837"	287.201624	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"451404"	431.306074	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"828112"	143.097174	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"90291"	575.410524	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"532041"	863.619424	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"906560"	287.201624	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"59844"	592.437071	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"497218"	880.645971	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"875018"	304.228171	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"40730"	597.392466	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"476281"	885.601366	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"852625"	309.183566	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1623252"	309.183566	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"98691"	305.189963	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"536427"	449.294413	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"941618"	161.085513	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"277981"	611.387202	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"673683"	899.596102	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1286454"	323.178302	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"28645"	613.366406	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"461644"	901.575306	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"836164"	325.157506	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1560746"	325.157506	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"947535"	333.207094	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"363197"	621.416001	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"356198"	635.431651	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1501757"	347.222751	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"963102"	355.189051	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"118205"	323.178302	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"563231"	467.282752	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1033124"	179.073852	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1250515"	367.127785	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1314057"	369.183772	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1327176"	391.165729	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"922608"	401.194486	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1299314"	437.171164	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1375288"	253.196224	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1387319"	271.2062	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"284089"	577.425076	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"678696"	865.633976	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1352491"	289.216176	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"127574"	289.216176	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"569319"	433.320626	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1050526"	145.111726	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"218427"	193.146542666667	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"658352"	289.216176	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1175745"	97.0769093333333	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"435735"	594.451623	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"797823"	882.660523	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1694155"	306.242723	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"335872"	297.7294495	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"729388"	441.8338995	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1482116"	153.6249995	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"408174"	599.407018	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"765072"	887.615918	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1610983"	311.198118	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"329167"	300.207147	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"719275"	444.311597	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1476585"	156.102697	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1060511"	104.404223333333	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1263282"	321.242386	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"382948"	615.380958	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"749411"	903.589858	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1548182"	327.172058	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"307545"	308.194117	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"699964"	452.298567	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1454877"	164.089667	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"245679"	618.451626	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1222762"	330.242726	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1202271"	165.625001	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"200609"	621.38896	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"639076"	909.59786	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1142580"	333.18006	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"184778"	311.198118	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"625434"	455.302568	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1129669"	167.093668	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1411370"	111.731537333333	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1438019"	335.221646	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"228808"	316.23114	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1516872"	349.27369	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"411821"	319.185088	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"772449"	463.289538	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1668777"	175.080638	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"256389"	640.433568	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1226911"	352.224668	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1717259"	352.248193	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1184078"	119.058851333333	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1661628"	357.203588	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"169584"	653.33684	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"612067"	941.54574	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1094750"	365.12794	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"151573"	327.172058	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"590042"	471.276508	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1084035"	183.067608	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1111045"	367.142492	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1341962"	367.230107	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1017053"	371.269276	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1529711"	372.262908	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"996157"	186.138276	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1592846"	373.177528	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1416319"	403.209038	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1149159"	206.651551	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1703816"	420.235585	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1644933"	425.19098	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1576210"	441.16492	"C03772"	"5beta-Androstane-317-dione"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"806577"	219.0743	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M"	0
"986675"	200.05591	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-H2O-H"	-19.01839
"72732"	145.042257333333	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M-3H"	-3.021828
"507919"	218.067024	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M-3H"	-3.021828
"885720"	72.0174906666667	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-3H"	-3.021828
"9764"	218.067024	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M-2H"	-2.014552
"449326"	327.604174	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M-2H"	-2.014552
"826034"	108.529874	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-2H"	-2.014552
"90399"	437.141324	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M-H"	-1.007276
"532515"	656.215624	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M-H"	-1.007276
"907764"	218.067024	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-H"	-1.007276
"58861"	454.167871	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M-2H+NH4"	16.019271
"499150"	673.242171	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M-2H+NH4"	16.019271
"875125"	235.093571	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-2H+NH4"	16.019271
"41933"	459.123266	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M-2H+Na"	20.974666
"479312"	678.197566	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M-2H+Na"	20.974666
"854929"	240.048966	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-2H+Na"	20.974666
"1625556"	240.048966	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Na-2H"	20.974666
"103178"	236.055363	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M-H+Cl"	33.962126
"540552"	345.592513	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M-H+Cl"	33.962126
"941358"	126.518213	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-H+Cl"	33.962126
"280279"	473.118002	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+Cl"	34.969402
"672701"	692.192302	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+Cl"	34.969402
"1282920"	254.043702	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Cl"	34.969402
"26569"	475.097206	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M-2H+K"	36.948606
"462847"	694.171506	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M-2H+K"	36.948606
"838462"	256.022906	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-2H+K"	36.948606
"1560857"	256.022906	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+K-2H"	36.948606
"947646"	264.072494	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-H+HCOOH"	44.998194
"373520"	483.146801	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+HCOOH-H"	44.998201
"354131"	497.162451	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+Hac-H"	59.013851
"1501867"	278.088151	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Hac-H"	59.013851
"963212"	286.054451	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-H+NaCOOH"	66.980151
"115035"	254.043702	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+2Cl"	69.938804
"561155"	363.580852	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+2Cl"	69.938804
"1027767"	144.506552	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2Cl"	69.938804
"1250625"	297.993185	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Br"	78.918885
"1314165"	300.049172	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Cl+HCOOH"	80.974872
"1327286"	322.031129	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Cl+NaCOOH"	102.956829
"923448"	332.059886	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M-H+CF3COOH"	112.985586
"1297238"	368.036564	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Cl+CF3COOH"	148.962264
"1375402"	184.061624	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H-2H2O"	-35.012676
"1384879"	202.0716	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H-H2O"	-17.0027
"285659"	439.155876	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+H"	1.007276
"678081"	658.230176	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+H"	1.007276
"1361358"	220.081576	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H"	1.007276
"129873"	220.081576	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+2H"	2.014552
"577460"	329.618726	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+2H"	2.014552
"1050635"	110.544426	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2H"	2.014552
"213795"	147.056809333333	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+3H"	3.021828
"657732"	220.081576	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+3H"	3.021828
"1171480"	74.0320426666667	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+3H"	3.021828
"433658"	456.182423	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+NH4"	18.033823
"793559"	675.256723	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+NH4"	18.033823
"1688797"	237.108123	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+NH4"	18.033823
"337076"	228.5948495	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+H+NH4"	19.041099
"731685"	338.1319995	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+H+NH4"	19.041099
"1484409"	119.0576995	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H+NH4"	19.041099
"401999"	461.137818	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+Na"	22.989218
"766275"	680.212118	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+Na"	22.989218
"1610000"	242.063518	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Na"	22.989218
"329033"	231.072547	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+H+Na"	23.996494
"722062"	340.609697	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+H+Na"	23.996494
"1469563"	121.535397	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H+Na"	23.996494
"1060619"	81.3593566666667	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2H+Na"	25.00377
"1261206"	252.107786	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+CH3OH+H"	33.033486
"385246"	477.111758	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+K"	38.963158
"747334"	696.186058	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+K"	38.963158
"1551938"	258.037458	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+K"	38.963158
"307655"	239.059517	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+H+K"	39.970434
"697888"	348.596667	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+H+K"	39.970434
"1451718"	129.522367	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H+K"	39.970434
"243602"	480.182426	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+ACN+H"	42.033826
"1222873"	261.108126	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+ACN+H"	42.033826
"1206755"	131.057701	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+ACN+2H"	43.041102
"202785"	483.11976	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+2Na-H"	44.97116
"642467"	702.19406	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+2Na-H"	44.97116
"1142690"	264.04546	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2Na-H"	44.97116
"185981"	242.063518	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+2Na"	45.978436
"627728"	351.600668	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+2Na"	45.978436
"1126865"	132.526368	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2Na"	45.978436
"1410389"	88.6866706666667	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H+2Na"	46.985712
"1440316"	266.087046	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H+HCOOH"	47.012746
"227825"	247.09654	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+3H2O+2H"	56.04448
"1523182"	280.13909	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+IsoProp+H"	61.06479
"415577"	250.050488	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+Na+K"	61.952376
"773291"	359.587638	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+Na+K"	61.952376
"1667797"	140.513338	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Na+K"	61.952376
"254681"	502.164368	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+ACN+Na"	64.015768
"1228480"	283.090068	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+ACN+Na"	64.015768
"1722118"	283.113593	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+NH4+HCOOH"	64.039293
"1192942"	96.0139846666667	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+3Na"	68.967654
"1664662"	288.068988	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Na+HCOOH"	68.994688
"168604"	515.06764	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+2K-H"	76.91904
"611443"	734.14194	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+2K-H"	76.91904
"1097057"	295.99334	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2K-H"	76.91904
"150594"	258.037458	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"2M+2K"	77.926316
"593436"	367.574608	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"3M+2K"	77.926316
"1083660"	148.500308	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2K"	77.926316
"1113344"	298.007892	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2K+H"	78.933592
"1344262"	298.095507	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+DMSO+H"	79.021207
"1011698"	302.134676	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2ACN+H"	83.060376
"1527636"	303.128308	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+IsoProp+Na+H"	84.054008
"991896"	151.570976	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+2ACN+2H"	84.067652
"1591866"	304.042928	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+K+HCOOH"	84.968628
"1426273"	334.074438	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+H+CF3COOH"	115.000138
"1159843"	172.084251	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+3ACN+2H"	125.094202
"1711582"	351.100985	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+NH4+CF3COOH"	132.026685
"1641764"	356.05638	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+Na+CF3COOH"	136.98208
"1576321"	372.03032	"C03776"	"N-Acetyl-D-mannosaminolactone"	"C8H13NO6"	"219.0743"	"M+K+CF3COOH"	152.95602
"806687"	340.0097	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M"	0
"983501"	320.99131	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-H2O-H"	-19.01839
"72842"	225.665857333333	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M-3H"	-3.021828
"508029"	339.002424	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M-3H"	-3.021828
"884737"	112.329290666667	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-3H"	-3.021828
"7687"	339.002424	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M-2H"	-2.014552
"447249"	509.007274	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M-2H"	-2.014552
"823957"	168.997574	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-2H"	-2.014552
"87229"	679.012124	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M-H"	-1.007276
"527881"	1019.021824	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M-H"	-1.007276
"905684"	339.002424	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-H"	-1.007276
"56779"	696.038671	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M-2H+NH4"	16.019271
"496340"	1036.048371	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M-2H+NH4"	16.019271
"875235"	356.028971	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-2H+NH4"	16.019271
"39855"	700.994066	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M-2H+Na"	20.974666
"476864"	1041.003766	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M-2H+Na"	20.974666
"853938"	360.984366	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-2H+Na"	20.974666
"1631132"	360.984366	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Na-2H"	20.974666
"106567"	356.990763	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M-H+Cl"	33.962126
"546128"	526.995613	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M-H+Cl"	33.962126
"938550"	186.985913	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-H+Cl"	33.962126
"282374"	714.988802	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+Cl"	34.969402
"674633"	1054.998502	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+Cl"	34.969402
"1286310"	374.979102	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Cl"	34.969402
"26679"	716.968006	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M-2H+K"	36.948606
"461864"	1056.977706	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M-2H+K"	36.948606
"838572"	376.958306	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-2H+K"	36.948606
"1562424"	376.958306	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+K-2H"	36.948606
"948849"	385.007894	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-H+HCOOH"	44.998194
"372537"	725.017601	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+HCOOH-H"	44.998201
"356429"	739.033251	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+Hac-H"	59.013851
"1503070"	399.023551	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Hac-H"	59.013851
"966238"	406.989851	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-H+NaCOOH"	66.980151
"116238"	374.979102	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+2Cl"	69.938804
"559078"	544.983952	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+2Cl"	69.938804
"1028970"	204.974252	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2Cl"	69.938804
"1250005"	418.928585	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Br"	78.918885
"1312088"	420.984572	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Cl+HCOOH"	80.974872
"1325573"	442.966529	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Cl+NaCOOH"	102.956829
"920640"	452.995286	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M-H+CF3COOH"	112.985586
"1297349"	488.971964	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Cl+CF3COOH"	148.962264
"1374419"	304.997024	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H-2H2O"	-35.012676
"1384260"	323.007	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H-H2O"	-17.0027
"283337"	681.026676	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+H"	1.007276
"676974"	1021.036376	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+H"	1.007276
"1361468"	341.016976	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H"	1.007276
"131076"	341.016976	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+2H"	2.014552
"580487"	511.021826	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+2H"	2.014552
"1048192"	171.012126	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2H"	2.014552
"216822"	227.680409333333	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+3H"	3.021828
"657475"	341.016976	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+3H"	3.021828
"1172683"	114.343842666667	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+3H"	3.021828
"433768"	698.053223	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+NH4"	18.033823
"796949"	1038.062923	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+NH4"	18.033823
"1691094"	358.043523	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+NH4"	18.033823
"338279"	349.5302495	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+H+NH4"	19.041099
"731795"	519.5350995	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+H+NH4"	19.041099
"1484522"	179.5253995	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H+NH4"	19.041099
"407213"	703.008618	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+Na"	22.989218
"765292"	1043.018318	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+Na"	22.989218
"1617402"	362.998918	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Na"	22.989218
"325251"	352.007947	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+H+Na"	23.996494
"722051"	522.012797	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+H+Na"	23.996494
"1469673"	182.003097	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H+Na"	23.996494
"1061822"	121.671156666667	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2H+Na"	25.00377
"1262409"	373.043186	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+CH3OH+H"	33.033486
"385356"	718.982558	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+K"	38.963158
"747444"	1058.992258	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+K"	38.963158
"1551683"	378.972858	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+K"	38.963158
"308858"	359.994917	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+H+K"	39.970434
"697998"	529.999767	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+H+K"	39.970434
"1450736"	189.990067	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H+K"	39.970434
"244806"	722.053226	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+ACN+H"	42.033826
"1222983"	382.043526	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+ACN+H"	42.033826
"1204678"	191.525401	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+ACN+2H"	43.041102
"197549"	724.99056	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+2Na-H"	44.97116
"639295"	1065.00026	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+2Na-H"	44.97116
"1141707"	384.98086	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2Na-H"	44.97116
"186091"	362.998918	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+2Na"	45.978436
"627839"	533.003768	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+2Na"	45.978436
"1126975"	192.994068	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2Na"	45.978436
"1409406"	128.998470666667	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H+2Na"	46.985712
"1437147"	387.022446	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H+HCOOH"	47.012746
"227935"	368.03194	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+3H2O+2H"	56.04448
"1520376"	401.07449	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+IsoProp+H"	61.06479
"413500"	370.985888	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+Na+K"	61.952376
"771578"	540.990738	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+Na+K"	61.952376
"1667544"	200.981038	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Na+K"	61.952376
"253698"	744.035168	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+ACN+Na"	64.015768
"1228956"	404.025468	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+ACN+Na"	64.015768
"1726600"	404.048993	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+NH4+HCOOH"	64.039293
"1193988"	136.325784666667	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+3Na"	68.967654
"1665385"	409.004388	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Na+HCOOH"	68.994688
"172772"	756.93844	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+2K-H"	76.91904
"610460"	1096.94814	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+2K-H"	76.91904
"1099479"	416.92874	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2K-H"	76.91904
"151797"	378.972858	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"2M+2K"	77.926316
"593546"	548.977708	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"3M+2K"	77.926316
"1083410"	208.968008	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2K"	77.926316
"1113453"	418.943292	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2K+H"	78.933592
"1346559"	419.030907	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+DMSO+H"	79.021207
"1011808"	423.070076	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2ACN+H"	83.060376
"1531026"	424.063708	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+IsoProp+Na+H"	84.054008
"992006"	212.038676	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+2ACN+2H"	84.067652
"1591976"	424.978328	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+K+HCOOH"	84.968628
"1426383"	455.009838	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+H+CF3COOH"	115.000138
"1159953"	232.551951	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+3ACN+2H"	125.094202
"1711692"	472.036385	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+NH4+CF3COOH"	132.026685
"1644062"	476.99178	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+Na+CF3COOH"	136.98208
"1576431"	492.96572	"C03779"	"Bis(4-nitrophenyl)phosphate;Bis-4-nitrophenyl phosphate"	"C12H9N2O8P"	"340.0097"	"M+K+CF3COOH"	152.95602
"806797"	125.0242	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M"	0
"985800"	106.00581	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-H2O-H"	-19.01839
"72952"	82.3421906666667	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M-3H"	-3.021828
"507046"	124.016924	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M-3H"	-3.021828
"884847"	40.6674573333333	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-3H"	-3.021828
"7797"	124.016924	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M-2H"	-2.014552
"446265"	186.529024	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M-2H"	-2.014552
"824067"	61.504824	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-2H"	-2.014552
"81872"	249.041124	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M-H"	-1.007276
"523617"	374.065324	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M-H"	-1.007276
"901420"	124.016924	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-H"	-1.007276
"55795"	266.067671	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M-2H+NH4"	16.019271
"496450"	391.091871	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M-2H+NH4"	16.019271
"873159"	141.043471	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-2H+NH4"	16.019271
"36685"	271.023066	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M-2H+Na"	20.974666
"480621"	396.047266	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M-2H+Na"	20.974666
"852226"	145.998866	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-2H+Na"	20.974666
"1632335"	145.998866	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Na-2H"	20.974666
"109799"	142.005263	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M-H+Cl"	33.962126
"542958"	204.517363	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M-H+Cl"	33.962126
"938660"	79.493163	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-H+Cl"	33.962126
"282565"	285.017802	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+Cl"	34.969402
"674013"	410.042002	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+Cl"	34.969402
"1280951"	159.993602	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Cl"	34.969402
"22415"	286.997006	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M-2H+K"	36.948606
"461974"	412.021206	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M-2H+K"	36.948606
"836129"	161.972806	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-2H+K"	36.948606
"1561076"	161.972806	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+K-2H"	36.948606
"948959"	170.022394	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-H+HCOOH"	44.998194
"372647"	295.046601	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+HCOOH-H"	44.998201
"354353"	309.062251	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+Hac-H"	59.013851
"1503180"	184.038051	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Hac-H"	59.013851
"963796"	192.004351	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-H+NaCOOH"	66.980151
"113796"	159.993602	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+2Cl"	69.938804
"559188"	222.505702	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+2Cl"	69.938804
"1027987"	97.481502	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2Cl"	69.938804
"1247929"	203.943085	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Br"	78.918885
"1314386"	205.999072	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Cl+HCOOH"	80.974872
"1326413"	227.981029	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Cl+NaCOOH"	102.956829
"918563"	238.009786	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M-H+CF3COOH"	112.985586
"1296366"	273.986464	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Cl+CF3COOH"	148.962264
"1370154"	90.011524	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H-2H2O"	-35.012676
"1384006"	108.0215	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H-H2O"	-17.0027
"282921"	251.055676	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+H"	1.007276
"676599"	376.079876	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+H"	1.007276
"1360485"	126.031476	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H"	1.007276
"131186"	126.031476	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+2H"	2.014552
"580720"	188.543576	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+2H"	2.014552
"1050489"	63.519376	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2H"	2.014552
"217298"	84.3567426666667	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+3H"	3.021828
"655399"	126.031476	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+3H"	3.021828
"1173887"	42.6820093333333	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+3H"	3.021828
"431692"	268.082223	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+NH4"	18.033823
"795966"	393.106423	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+NH4"	18.033823
"1691207"	143.058023	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+NH4"	18.033823
"338390"	134.5447495	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+H+NH4"	19.041099
"731905"	197.0568495	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+H+NH4"	19.041099
"1487914"	72.0326495	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H+NH4"	19.041099
"402219"	273.037618	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+Na"	22.989218
"762120"	398.061818	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+Na"	22.989218
"1609127"	148.013418	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Na"	22.989218
"329134"	137.022447	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+H+Na"	23.996494
"721555"	199.534547	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+H+Na"	23.996494
"1469783"	74.510347	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H+Na"	23.996494
"1060840"	50.0093233333333	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2H+Na"	25.00377
"1261426"	158.057686	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+CH3OH+H"	33.033486
"385466"	289.011558	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+K"	38.963158
"749377"	414.035758	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+K"	38.963158
"1555459"	163.987358	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+K"	38.963158
"310428"	145.009417	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+H+K"	39.970434
"698110"	207.521517	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+H+K"	39.970434
"1447566"	82.497317	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H+K"	39.970434
"242729"	292.082226	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+ACN+H"	42.033826
"1216532"	167.058026	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+ACN+H"	42.033826
"1201507"	84.032651	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+ACN+2H"	43.041102
"199482"	295.01956	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+2Na-H"	44.97116
"639405"	420.04376	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+2Na-H"	44.97116
"1142911"	169.99536	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2Na-H"	44.97116
"186203"	148.013418	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+2Na"	45.978436
"626131"	210.525518	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+2Na"	45.978436
"1125264"	85.501318	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2Na"	45.978436
"1406601"	57.3366373333333	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H+2Na"	46.985712
"1437621"	172.036946	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H+HCOOH"	47.012746
"228047"	153.04644	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+3H2O+2H"	56.04448
"1520486"	186.08899	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+IsoProp+H"	61.06479
"413610"	156.000388	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+Na+K"	61.952376
"772417"	218.512488	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+Na+K"	61.952376
"1668745"	93.488288	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Na+K"	61.952376
"255627"	314.064168	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+ACN+Na"	64.015768
"1229067"	189.039968	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+ACN+Na"	64.015768
"1724524"	189.063493	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+NH4+HCOOH"	64.039293
"1193161"	64.6639513333333	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+3Na"	68.967654
"1664024"	194.018888	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Na+HCOOH"	68.994688
"171863"	326.96744	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+2K-H"	76.91904
"607287"	451.99164	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+2K-H"	76.91904
"1099712"	201.94324	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2K-H"	76.91904
"151907"	163.987358	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"2M+2K"	77.926316
"593656"	226.499458	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"3M+2K"	77.926316
"1084009"	101.475258	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2K"	77.926316
"1113563"	203.957792	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2K+H"	78.933592
"1346669"	204.045407	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+DMSO+H"	79.021207
"1010824"	208.084576	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2ACN+H"	83.060376
"1528948"	209.078208	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+IsoProp+Na+H"	84.054008
"993208"	104.545926	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+2ACN+2H"	84.067652
"1592083"	209.992828	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+K+HCOOH"	84.968628
"1426493"	240.024338	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+H+CF3COOH"	115.000138
"1153502"	125.059201	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+3ACN+2H"	125.094202
"1711438"	257.050885	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+NH4+CF3COOH"	132.026685
"1641984"	262.00628	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+Na+CF3COOH"	136.98208
"1576541"	277.98022	"C03782"	"D-(1-Aminoethyl)phosphonate;D-(1-Aminoethyl)phosphonic acid"	"C2H8NO3P"	"125.0242"	"M+K+CF3COOH"	152.95602
"815294"	259.0457	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M"	0
"985182"	240.02731	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H2O-H"	-19.01839
"73062"	171.689857333333	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-3H"	-3.021828
"514810"	258.038424	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-3H"	-3.021828
"889329"	85.3412906666667	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-3H"	-3.021828
"11189"	258.038424	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H"	-2.014552
"448562"	387.561274	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H"	-2.014552
"823083"	128.515574	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H"	-2.014552
"83075"	517.084124	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H"	-1.007276
"528105"	776.129824	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H"	-1.007276
"903719"	258.038424	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H"	-1.007276
"59187"	534.110671	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+NH4"	16.019271
"498748"	793.156371	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+NH4"	16.019271
"873269"	275.064971	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+NH4"	16.019271
"34610"	539.066066	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+Na"	20.974666
"478545"	798.111766	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+Na"	20.974666
"853065"	280.020366	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+Na"	20.974666
"1626977"	280.020366	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na-2H"	20.974666
"108133"	276.026763	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H+Cl"	33.962126
"548541"	405.549613	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H+Cl"	33.962126
"941329"	146.503913	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+Cl"	33.962126
"281946"	553.060802	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Cl"	34.969402
"670843"	812.106502	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Cl"	34.969402
"1282156"	294.015102	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl"	34.969402
"25806"	555.040006	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+K"	36.948606
"462086"	814.085706	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+K"	36.948606
"843168"	295.994306	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+K"	36.948606
"1562281"	295.994306	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K-2H"	36.948606
"950164"	304.043894	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+HCOOH"	44.998194
"367286"	563.089601	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+HCOOH-H"	44.998201
"355553"	577.105251	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Hac-H"	59.013851
"1497822"	318.059551	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Hac-H"	59.013851
"960257"	326.025851	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+NaCOOH"	66.980151
"113904"	294.015102	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Cl"	69.938804
"556381"	423.537952	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Cl"	69.938804
"1025179"	164.492252	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Cl"	69.938804
"1245851"	337.964585	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Br"	78.918885
"1309394"	340.020572	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+HCOOH"	80.974872
"1328711"	362.002529	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+NaCOOH"	102.956829
"918677"	372.031286	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+CF3COOH"	112.985586
"1296114"	408.007964	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+CF3COOH"	148.962264
"1371722"	224.033024	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-2H2O"	-35.012676
"1387033"	242.043	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-H2O"	-17.0027
"287449"	519.098676	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H"	1.007276
"678777"	778.144376	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H"	1.007276
"1364607"	260.052976	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H"	1.007276
"133119"	260.052976	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2H"	2.014552
"581075"	389.575826	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2H"	2.014552
"1051694"	130.530126	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H"	2.014552
"218501"	173.704409333333	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H"	3.021828
"656239"	260.052976	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+3H"	3.021828
"1167439"	87.3558426666667	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+3H"	3.021828
"430710"	536.125223	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+NH4"	18.033823
"792798"	795.170923	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+NH4"	18.033823
"1692046"	277.079523	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4"	18.033823
"341419"	268.5662495	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+NH4"	19.041099
"732015"	398.0890995	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+NH4"	19.041099
"1488391"	139.0433995	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+NH4"	19.041099
"407436"	541.080618	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na"	22.989218
"768796"	800.126318	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na"	22.989218
"1617628"	282.034918	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na"	22.989218
"329853"	271.043947	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+Na"	23.996494
"720329"	400.566797	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+Na"	23.996494
"1476338"	141.521097	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+Na"	23.996494
"1064235"	94.6831566666667	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H+Na"	25.00377
"1270285"	292.079186	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+CH3OH+H"	33.033486
"389223"	557.054558	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+K"	38.963158
"753135"	816.100258	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+K"	38.963158
"1554459"	298.008858	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K"	38.963158
"309809"	279.030917	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+K"	39.970434
"698220"	408.553767	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+K"	39.970434
"1452048"	149.508067	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+K"	39.970434
"245025"	560.125226	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+H"	42.033826
"1222839"	301.079526	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+H"	42.033826
"1205991"	151.043401	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+2H"	43.041102
"200321"	563.06256	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na-H"	44.97116
"642070"	822.10826	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na-H"	44.97116
"1144848"	304.01686	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na-H"	44.97116
"186318"	282.034918	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na"	45.978436
"625878"	411.557768	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na"	45.978436
"1126470"	152.512068	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na"	45.978436
"1407806"	102.010470666667	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+2Na"	46.985712
"1438099"	306.058446	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+HCOOH"	47.012746
"232532"	287.06794	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H2O+2H"	56.04448
"1519137"	320.11049	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+H"	61.06479
"414813"	290.021888	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na+K"	61.952376
"773621"	419.544738	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na+K"	61.952376
"1669221"	160.499038	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+K"	61.952376
"256470"	582.107168	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+Na"	64.015768
"1232095"	323.061468	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+Na"	64.015768
"1723539"	323.084993	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+HCOOH"	64.039293
"1193885"	109.337784666667	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+3Na"	68.967654
"1665236"	328.040388	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+HCOOH"	68.994688
"170028"	595.01044	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K-H"	76.91904
"612382"	854.05614	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K-H"	76.91904
"1097387"	335.96474	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K-H"	76.91904
"152017"	298.008858	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K"	77.926316
"596806"	427.531708	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K"	77.926316
"1083383"	168.486008	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K"	77.926316
"1112459"	337.979292	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K+H"	78.933592
"1350790"	338.066907	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+DMSO+H"	79.021207
"1013122"	342.106076	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+H"	83.060376
"1532339"	343.099708	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+Na+H"	84.054008
"992225"	171.556676	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+2H"	84.067652
"1588915"	344.014328	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+HCOOH"	84.968628
"1423323"	374.045838	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+CF3COOH"	115.000138
"1160173"	192.069951	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+3ACN+2H"	125.094202
"1707538"	391.072385	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+CF3COOH"	132.026685
"1644282"	396.02778	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+CF3COOH"	136.98208
"1576651"	412.00172	"C03783"	"D-Galactosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+CF3COOH"	152.95602
"807017"	339.996	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"983831"	320.97761	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"74266"	225.656724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"511641"	338.988724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"890536"	112.324724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"12392"	338.988724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"449766"	508.986724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"825380"	168.990724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"82092"	678.984724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"527122"	1018.980724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"903829"	338.988724	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"59297"	696.011271	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"496672"	1036.007271	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"870099"	356.015271	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"34720"	700.966666	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"478655"	1040.962666	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"850989"	360.970666	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1627087"	360.970666	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"97055"	356.977063	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"543180"	526.975063	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"936694"	186.979063	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"267716"	714.961402	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"667673"	1054.957402	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1283360"	374.965402	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"27741"	716.940606	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"464383"	1056.936606	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"845466"	376.944606	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1562392"	376.944606	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"951368"	384.994194	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"369584"	724.990201	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"353477"	739.005851	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1498661"	399.009851	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"960003"	406.976151	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"111947"	374.965402	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"558314"	544.963402	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1023832"	204.967402	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1242803"	418.914885	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1309506"	420.970872	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1325907"	442.952829	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"919882"	452.981586	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1294403"	488.958264	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1372562"	304.983324	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1384227"	322.9933	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"287559"	680.999276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"678279"	1020.995276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1360705"	341.003276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"129219"	341.003276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"573150"	511.001276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1052168"	171.005276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"218612"	227.671276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"658902"	341.003276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1168643"	114.339276	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"431914"	698.025823	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"796187"	1038.021823	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1690333"	358.029823	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"341893"	349.5165495	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"735405"	519.5145495	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1487041"	179.5185495	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"403535"	702.981218	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"766354"	1042.977218	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1616276"	362.985218	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"329314"	351.994247	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"719467"	521.992247	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1474377"	181.996247	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1066531"	121.66659	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1270756"	373.029486	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"392251"	718.955158	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"754018"	1058.951158	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1552744"	378.959158	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"311376"	359.981217	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"697235"	529.979217	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1457264"	189.983217	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"248416"	722.025826	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1223193"	382.029826	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1207927"	191.518551	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"202500"	724.96316	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"642913"	1064.95916	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1145326"	384.96716	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"186067"	362.985218	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"626721"	532.983218	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1128039"	192.987218	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1413018"	128.993904	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1444405"	387.008746	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"234465"	368.01824	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1520344"	401.06079	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"418205"	370.972188	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"778470"	540.970188	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1675528"	200.974188	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"259497"	744.007768	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1239495"	404.011768	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1716716"	404.035293	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1184623"	136.321218	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1655613"	408.990688	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"167945"	756.91104	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"612250"	1096.90704	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1095307"	416.91504	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"152127"	378.959158	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"594971"	548.957158	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1081547"	208.961158	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1109410"	418.929592	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1349077"	419.017207	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1013232"	423.056376	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1531357"	424.050008	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"994523"	212.031826	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1589388"	424.964628	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1423433"	454.996138	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1159190"	232.545101	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1709835"	472.022685	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1644392"	476.97808	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1576761"	492.95202	"C03785"	"D-Tagatose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"807129"	338.993	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M"	0
"980668"	319.97461	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-H2O-H"	-19.01839
"71099"	224.988057333333	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M-3H"	-3.021828
"508470"	337.985724	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M-3H"	-3.021828
"887367"	111.990390666667	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-3H"	-3.021828
"9222"	337.985724	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M-2H"	-2.014552
"446595"	507.482224	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M-2H"	-2.014552
"824396"	168.489224	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-2H"	-2.014552
"84388"	676.978724	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M-H"	-1.007276
"528324"	1015.971724	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M-H"	-1.007276
"906130"	337.985724	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-H"	-1.007276
"59413"	694.005271	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M-2H+NH4"	16.019271
"496784"	1032.998271	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M-2H+NH4"	16.019271
"870211"	355.012271	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-2H+NH4"	16.019271
"39208"	698.960666	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M-2H+Na"	20.974666
"477673"	1037.953666	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M-2H+Na"	20.974666
"862039"	359.967666	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-2H+Na"	20.974666
"1632308"	359.967666	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Na-2H"	20.974666
"100452"	355.974063	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M-H+Cl"	33.962126
"543292"	525.470563	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M-H+Cl"	33.962126
"939721"	186.477563	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-H+Cl"	33.962126
"274270"	712.955402	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+Cl"	34.969402
"660739"	1051.948402	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+Cl"	34.969402
"1279097"	373.962402	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Cl"	34.969402
"23840"	714.934606	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M-2H+K"	36.948606
"461215"	1053.927606	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M-2H+K"	36.948606
"843393"	375.941606	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-2H+K"	36.948606
"1568702"	375.941606	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+K-2H"	36.948606
"952575"	383.991194	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-H+HCOOH"	44.998194
"368606"	722.984201	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+HCOOH-H"	44.998201
"349573"	736.999851	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+Hac-H"	59.013851
"1494395"	398.006851	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Hac-H"	59.013851
"961936"	405.973151	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-H+NaCOOH"	66.980151
"111935"	373.962402	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+2Cl"	69.938804
"555141"	543.458902	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+2Cl"	69.938804
"1024306"	204.465902	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2Cl"	69.938804
"1243155"	417.911885	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Br"	78.918885
"1309251"	419.967872	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Cl+HCOOH"	80.974872
"1326016"	441.949829	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Cl+NaCOOH"	102.956829
"915981"	451.978586	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M-H+CF3COOH"	112.985586
"1289772"	487.955264	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Cl+CF3COOH"	148.962264
"1370488"	303.980324	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H-2H2O"	-35.012676
"1391266"	321.9903	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H-H2O"	-17.0027
"287671"	678.993276	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+H"	1.007276
"684469"	1017.986276	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+H"	1.007276
"1359725"	340.000276	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H"	1.007276
"131517"	340.000276	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+2H"	2.014552
"578743"	509.496776	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+2H"	2.014552
"1051552"	170.503776	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2H"	2.014552
"217264"	227.002609333333	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+3H"	3.021828
"651720"	340.000276	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+3H"	3.021828
"1168753"	114.004942666667	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+3H"	3.021828
"429838"	696.019823	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+NH4"	18.033823
"791927"	1035.012823	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+NH4"	18.033823
"1687164"	357.026823	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+NH4"	18.033823
"339813"	348.5135495	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+H+NH4"	19.041099
"732236"	518.0100495	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+H+NH4"	19.041099
"1487151"	179.0170495	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H+NH4"	19.041099
"404375"	700.975218	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+Na"	22.989218
"767558"	1039.968218	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+Na"	22.989218
"1614934"	361.982218	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Na"	22.989218
"323878"	350.991247	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+H+Na"	23.996494
"719575"	520.487747	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+H+Na"	23.996494
"1469022"	181.494747	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H+Na"	23.996494
"1063361"	121.332256666667	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2H+Na"	25.00377
"1267225"	372.026486	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+CH3OH+H"	33.033486
"382517"	716.949158	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+K"	38.963158
"744605"	1055.942158	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+K"	38.963158
"1551030"	377.956158	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+K"	38.963158
"304561"	358.978217	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+H+K"	39.970434
"705743"	528.474717	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+H+K"	39.970434
"1460535"	189.481717	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H+K"	39.970434
"246344"	720.019826	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+ACN+H"	42.033826
"1224520"	381.026826	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+ACN+H"	42.033826
"1206216"	191.017051	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+ACN+2H"	43.041102
"200179"	722.95716	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+2Na-H"	44.97116
"641925"	1061.95016	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+2Na-H"	44.97116
"1145433"	383.96416	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2Na-H"	44.97116
"187268"	361.982218	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+2Na"	45.978436
"625006"	531.478718	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+2Na"	45.978436
"1129243"	192.485718	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2Na"	45.978436
"1412398"	128.659570666667	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H+2Na"	46.985712
"1443421"	386.005746	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H+HCOOH"	47.012746
"232027"	367.01524	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+3H2O+2H"	56.04448
"1520453"	400.05779	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+IsoProp+H"	61.06479
"418681"	369.969188	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+Na+K"	61.952376
"777122"	539.465688	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+Na+K"	61.952376
"1671267"	200.472688	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Na+K"	61.952376
"259969"	742.001768	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+ACN+Na"	64.015768
"1229405"	403.008768	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+ACN+Na"	64.015768
"1714159"	403.032293	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+NH4+HCOOH"	64.039293
"1188022"	135.986884666667	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+3Na"	68.967654
"1665497"	407.987688	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Na+HCOOH"	68.994688
"168064"	754.90504	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+2K-H"	76.91904
"609814"	1093.89804	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+2K-H"	76.91904
"1096514"	415.91204	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2K-H"	76.91904
"154424"	377.956158	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"2M+2K"	77.926316
"596296"	547.452658	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"3M+2K"	77.926316
"1079591"	208.459658	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2K"	77.926316
"1112809"	417.926592	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2K+H"	78.933592
"1349186"	418.014207	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+DMSO+H"	79.021207
"1013341"	422.053376	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2ACN+H"	83.060376
"1531467"	423.047008	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+IsoProp+Na+H"	84.054008
"994633"	211.530326	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+2ACN+2H"	84.067652
"1601045"	423.961628	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+K+HCOOH"	84.968628
"1424639"	453.993138	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+H+CF3COOH"	115.000138
"1158208"	232.043601	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+3ACN+2H"	125.094202
"1707758"	471.019685	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+NH4+CF3COOH"	132.026685
"1644502"	475.97508	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+Na+CF3COOH"	136.98208
"1586713"	491.94902	"C03789"	"N6-O-Disulfo-D-glucosamine;N26-Disulfo-D-glucosamine"	"C6H13NO11S2"	"338.993"	"M+K+CF3COOH"	152.95602
"807239"	147.0532	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M"	0
"982965"	128.03481	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"69023"	97.0281906666667	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"510767"	146.045924	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"886384"	48.0104573333333	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"8239"	146.045924	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"443425"	219.572524	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"822317"	72.519324	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"84499"	293.099124	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"528434"	440.152324	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"905146"	146.045924	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"58429"	310.125671	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"497987"	457.178871	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"869228"	163.072471	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"41504"	315.081066	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"477783"	462.134266	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"862514"	168.027866	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1633510"	168.027866	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"100562"	164.034263	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"541215"	237.560863	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"938009"	90.507663	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"273287"	329.075802	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"660597"	476.129002	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1275926"	182.022602	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"21763"	331.055006	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"463511"	478.108206	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"841313"	184.001806	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1565896"	184.001806	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"951956"	192.051394	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"367988"	339.104601	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"349683"	353.120251	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1494869"	206.067051	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"960588"	214.033351	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"111316"	182.022602	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"551607"	255.549202	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1023688"	108.496002	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1241807"	225.972085	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1308265"	228.028072	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1326856"	250.010029	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"916820"	260.038786	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1290611"	296.015464	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1369868"	112.040524	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1390282"	130.0505	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"291061"	295.113676	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"681298"	442.166876	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1361658"	148.060476	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"132720"	148.060476	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"577759"	221.587076	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1049838"	74.533876	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"215551"	99.0427426666667	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"651829"	148.060476	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1169956"	50.0250093333333	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"432133"	312.140223	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"792036"	459.193423	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1690553"	165.087023	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"342112"	156.5737495	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"727971"	230.1003495	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1486165"	83.0471495	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"400471"	317.095618	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"767304"	464.148818	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1617227"	170.042418	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"329450"	159.051447	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"718593"	232.578047	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1471319"	85.524847	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1064564"	57.3523233333333	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1268429"	180.086686	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"384814"	333.069558	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"744716"	480.122758	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1550048"	186.016358	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"302852"	167.038417	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"702937"	240.565017	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1456393"	93.511817	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"248642"	336.140226	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1223902"	189.087026	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1205962"	95.047151	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"199196"	339.07756	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"638392"	486.13076	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1143721"	192.02436	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"186283"	170.042418	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"624388"	243.569018	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1130446"	96.515818	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1409594"	64.6796373333333	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1443167"	194.065946	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"232867"	175.07544	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1520565"	208.11799	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"420978"	178.029388	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"780513"	251.555988	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1672470"	104.502788	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"260080"	358.122168	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1229515"	211.068968	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1714755"	211.092493	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1188132"	72.0069513333333	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1665437"	216.047888	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"170361"	371.02544	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"608832"	518.07864	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1096624"	223.97224	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"154534"	186.016358	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"589720"	259.542958	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1079701"	112.489758	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1114006"	225.986792	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1347108"	226.074407	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1013450"	230.113576	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1532670"	231.107208	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"993649"	115.560426	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1600183"	232.021828	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1425843"	262.053338	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1160505"	136.073701	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1704588"	279.079885	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1642425"	284.03528	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1586823"	300.00922	"C03790"	"N-(Carboxymethyl)-D-alanine;Strombine"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"807350"	188.1525	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M"	0
"986355"	169.13411	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-H2O-H"	-19.01839
"69133"	124.427724	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M-3H"	-3.021828
"506503"	187.145224	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M-3H"	-3.021828
"881025"	61.710224	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-3H"	-3.021828
"8349"	187.145224	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M-2H"	-2.014552
"444628"	281.221474	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M-2H"	-2.014552
"823522"	93.068974	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-2H"	-2.014552
"88986"	375.297724	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M-H"	-1.007276
"526358"	563.450224	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M-H"	-1.007276
"905258"	187.145224	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-H"	-1.007276
"58904"	392.324271	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M-2H+NH4"	16.019271
"494820"	580.476771	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M-2H+NH4"	16.019271
"869339"	204.171771	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-2H+NH4"	16.019271
"40521"	397.279666	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M-2H+Na"	20.974666
"476800"	585.432166	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M-2H+Na"	20.974666
"861899"	209.127166	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-2H+Na"	20.974666
"1626331"	209.127166	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Na-2H"	20.974666
"106140"	205.133563	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M-H+Cl"	33.962126
"543512"	299.209813	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M-H+Cl"	33.962126
"928764"	111.057313	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-H+Cl"	33.962126
"268413"	411.274402	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+Cl"	34.969402
"660510"	599.426902	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+Cl"	34.969402
"1276036"	223.121902	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Cl"	34.969402
"21873"	413.253606	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M-2H+K"	36.948606
"465808"	601.406106	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M-2H+K"	36.948606
"844704"	225.101106	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-2H+K"	36.948606
"1568190"	225.101106	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+K-2H"	36.948606
"953894"	233.150694	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-H+HCOOH"	44.998194
"372108"	421.303201	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+HCOOH-H"	44.998201
"351618"	435.318851	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+Hac-H"	59.013851
"1494979"	247.166351	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Hac-H"	59.013851
"960697"	255.132651	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-H+NaCOOH"	66.980151
"111793"	223.121902	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+2Cl"	69.938804
"552081"	317.198152	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+2Cl"	69.938804
"1022704"	129.045652	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2Cl"	69.938804
"1241509"	267.071385	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Br"	78.918885
"1308740"	269.127372	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Cl+HCOOH"	80.974872
"1322955"	291.109329	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Cl+NaCOOH"	102.956829
"917295"	301.138086	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M-H+CF3COOH"	112.985586
"1290723"	337.114764	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Cl+CF3COOH"	148.962264
"1369614"	153.139824	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H-2H2O"	-35.012676
"1389301"	171.1498	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H-H2O"	-17.0027
"288984"	377.312276	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+H"	1.007276
"685420"	565.464776	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+H"	1.007276
"1360674"	189.159776	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H"	1.007276
"139765"	189.159776	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+2H"	2.014552
"578601"	283.236026	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+2H"	2.014552
"1048491"	95.083526	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2H"	2.014552
"211287"	126.442276	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+3H"	3.021828
"652669"	189.159776	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+3H"	3.021828
"1170068"	63.724776	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+3H"	3.021828
"431152"	394.338823	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+NH4"	18.033823
"794334"	582.491323	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+NH4"	18.033823
"1690299"	206.186323	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+NH4"	18.033823
"340400"	197.6730495	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+H+NH4"	19.041099
"733915"	291.7492995	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+H+NH4"	19.041099
"1486641"	103.5967995	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H+NH4"	19.041099
"404593"	399.294218	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+Na"	22.989218
"765592"	587.446718	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+Na"	22.989218
"1617338"	211.141718	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Na"	22.989218
"328712"	200.150747	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+H+Na"	23.996494
"714327"	294.226997	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+H+Na"	23.996494
"1470701"	106.074497	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H+Na"	23.996494
"1060300"	71.05209	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2H+Na"	25.00377
"1265257"	221.185986	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+CH3OH+H"	33.033486
"387478"	415.268158	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+K"	38.963158
"747743"	603.420658	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+K"	38.963158
"1543601"	227.115658	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+K"	38.963158
"306977"	208.137717	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+H+K"	39.970434
"703046"	302.213967	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+H+K"	39.970434
"1454680"	114.061467	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H+K"	39.970434
"248386"	418.338826	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+ACN+H"	42.033826
"1218177"	230.186326	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+ACN+H"	42.033826
"1207160"	115.596801	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+ACN+2H"	43.041102
"201736"	421.27616	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+2Na-H"	44.97116
"642879"	609.42866	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+2Na-H"	44.97116
"1144195"	233.12366	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2Na-H"	44.97116
"185662"	211.141718	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+2Na"	45.978436
"625230"	305.217968	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+2Na"	45.978436
"1129341"	117.065468	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2Na"	45.978436
"1408608"	78.379404	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H+2Na"	46.985712
"1439269"	235.165246	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H+HCOOH"	47.012746
"232614"	216.17474	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+3H2O+2H"	56.04448
"1522135"	249.21729	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+IsoProp+H"	61.06479
"422914"	219.128688	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+Na+K"	61.952376
"782084"	313.204938	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+Na+K"	61.952376
"1673674"	125.052438	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Na+K"	61.952376
"258010"	440.320768	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+ACN+Na"	64.015768
"1234001"	252.168268	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+ACN+Na"	64.015768
"1715230"	252.191793	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+NH4+HCOOH"	64.039293
"1183867"	85.706718	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+3Na"	68.967654
"1660322"	257.147188	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Na+HCOOH"	68.994688
"172583"	453.22404	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+2K-H"	76.91904
"611860"	641.37654	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+2K-H"	76.91904
"1099047"	265.07154	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2K-H"	76.91904
"154647"	227.115658	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"2M+2K"	77.926316
"593113"	321.191908	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"3M+2K"	77.926316
"1080906"	133.039408	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2K"	77.926316
"1113024"	267.086092	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2K+H"	78.933592
"1348313"	267.173707	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+DMSO+H"	79.021207
"1016841"	271.212876	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2ACN+H"	83.060376
"1534968"	272.206508	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+IsoProp+Na+H"	84.054008
"998134"	136.110076	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+2ACN+2H"	84.067652
"1600293"	273.121128	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+K+HCOOH"	84.968628
"1425955"	303.152638	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+H+CF3COOH"	115.000138
"1160617"	156.623351	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+3ACN+2H"	125.094202
"1706886"	320.179185	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+NH4+CF3COOH"	132.026685
"1645815"	325.13458	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+Na+CF3COOH"	136.98208
"1580373"	341.10852	"C03793"	"N6N6N6-Trimethyl-L-lysine"	"C9H20N2O2"	"188.1525"	"M+K+CF3COOH"	152.95602
"807460"	463.074	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M"	0
"977719"	444.05561	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-H2O-H"	-19.01839
"64137"	307.708724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M-3H"	-3.021828
"503374"	462.066724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M-3H"	-3.021828
"880274"	153.350724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-3H"	-3.021828
"924"	462.066724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M-2H"	-2.014552
"444739"	693.603724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M-2H"	-2.014552
"820353"	230.529724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-2H"	-2.014552
"82534"	925.140724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M-H"	-1.007276
"518933"	1388.214724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M-H"	-1.007276
"896489"	462.066724	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-H"	-1.007276
"47264"	942.167271	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M-2H+NH4"	16.019271
"489461"	1405.241271	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M-2H+NH4"	16.019271
"867264"	479.093271	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-2H+NH4"	16.019271
"36258"	947.122666	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M-2H+Na"	20.974666
"473634"	1410.196666	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M-2H+Na"	20.974666
"861280"	484.048666	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-2H+Na"	20.974666
"1624251"	484.048666	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Na-2H"	20.974666
"99688"	480.055063	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M-H+Cl"	33.962126
"540342"	711.592063	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M-H+Cl"	33.962126
"928753"	248.518063	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-H+Cl"	33.962126
"267216"	961.117402	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+Cl"	34.969402
"660248"	1424.191402	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+Cl"	34.969402
"1272878"	498.043402	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Cl"	34.969402
"15784"	963.096606	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M-2H+K"	36.948606
"460451"	1426.170606	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M-2H+K"	36.948606
"836065"	500.022606	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-2H+K"	36.948606
"1561744"	500.022606	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+K-2H"	36.948606
"952910"	508.072194	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-H+HCOOH"	44.998194
"370031"	971.146201	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+HCOOH-H"	44.998201
"346338"	985.161851	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+Hac-H"	59.013851
"1493754"	522.087851	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Hac-H"	59.013851
"958629"	530.054151	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-H+NaCOOH"	66.980151
"111539"	498.043402	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+2Cl"	69.938804
"551099"	729.580402	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+2Cl"	69.938804
"1023179"	266.506402	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2Cl"	69.938804
"1241661"	541.992885	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Br"	78.918885
"1310673"	544.048872	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Cl+HCOOH"	80.974872
"1321971"	566.030829	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Cl+NaCOOH"	102.956829
"916313"	576.059586	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M-H+CF3COOH"	112.985586
"1292658"	612.036264	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Cl+CF3COOH"	148.962264
"1371185"	428.061324	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H-2H2O"	-35.012676
"1388317"	446.0713	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H-H2O"	-17.0027
"293838"	927.155276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+H"	1.007276
"690149"	1390.229276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+H"	1.007276
"1361513"	464.081276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H"	1.007276
"137324"	464.081276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+2H"	2.014552
"577615"	695.618276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+2H"	2.014552
"1047508"	232.544276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2H"	2.014552
"208114"	309.723276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+3H"	3.021828
"648768"	464.081276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+3H"	3.021828
"1164707"	155.365276	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+3H"	3.021828
"429073"	944.181823	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+NH4"	18.033823
"790067"	1407.255823	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+NH4"	18.033823
"1689678"	481.107823	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+NH4"	18.033823
"334677"	472.5945495	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+H+NH4"	19.041099
"731472"	704.1315495	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+H+NH4"	19.041099
"1485296"	241.0575495	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H+NH4"	19.041099
"405071"	949.137218	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+Na"	22.989218
"766798"	1412.211218	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+Na"	22.989218
"1611978"	486.063218	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Na"	22.989218
"324202"	475.072247	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+H+Na"	23.996494
"715528"	706.609247	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+H+Na"	23.996494
"1470441"	243.535247	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H+Na"	23.996494
"1058220"	162.69259	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2H+Na"	25.00377
"1265364"	496.107486	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+CH3OH+H"	33.033486
"382845"	965.111158	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+K"	38.963158
"748214"	1428.185158	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+K"	38.963158
"1543711"	502.037158	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+K"	38.963158
"301619"	483.059217	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+H+K"	39.970434
"692219"	714.596217	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+H+K"	39.970434
"1449321"	251.522217	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H+K"	39.970434
"243392"	968.181826	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+ACN+H"	42.033826
"1215007"	505.107826	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+ACN+H"	42.033826
"1202172"	253.057551	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+ACN+2H"	43.041102
"200512"	971.11916	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+2Na-H"	44.97116
"637884"	1434.19316	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+2Na-H"	44.97116
"1143575"	508.04516	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2Na-H"	44.97116
"178121"	486.063218	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+2Na"	45.978436
"619867"	717.600218	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+2Na"	45.978436
"1126292"	254.526218	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2Na"	45.978436
"1405803"	170.019904	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H+2Na"	46.985712
"1436831"	510.086746	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H+HCOOH"	47.012746
"224339"	491.09624	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+3H2O+2H"	56.04448
"1517867"	524.13879	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+IsoProp+H"	61.06479
"416459"	494.050188	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+Na+K"	61.952376
"778548"	725.587188	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+Na+K"	61.952376
"1669411"	262.513188	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Na+K"	61.952376
"263956"	990.163768	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+ACN+Na"	64.015768
"1234112"	527.089768	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+ACN+Na"	64.015768
"1721904"	527.113293	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+NH4+HCOOH"	64.039293
"1193787"	177.347218	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+3Na"	68.967654
"1658252"	532.068688	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Na+HCOOH"	68.994688
"171678"	1003.06704	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+2K-H"	76.91904
"610877"	1466.14104	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+2K-H"	76.91904
"1095750"	539.99304	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2K-H"	76.91904
"154756"	502.037158	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"2M+2K"	77.926316
"593222"	733.574158	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"3M+2K"	77.926316
"1077735"	270.500158	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2K"	77.926316
"1102195"	542.007592	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2K+H"	78.933592
"1342954"	542.095207	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+DMSO+H"	79.021207
"1013672"	546.134376	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2ACN+H"	83.060376
"1532890"	547.128008	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+IsoProp+Na+H"	84.054008
"999340"	273.570826	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+2ACN+2H"	84.067652
"1596030"	548.042628	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+K+HCOOH"	84.968628
"1421689"	578.074138	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+H+CF3COOH"	115.000138
"1149790"	294.084101	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+3ACN+2H"	125.094202
"1704809"	595.100685	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+NH4+CF3COOH"	132.026685
"1644834"	600.05608	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+Na+CF3COOH"	136.98208
"1577203"	616.03002	"C03794"	"N6-(12-Dicarboxyethyl)-AMP;N6-(12-Dicarboxyethyl)AMP;Adenylosuccinate;Adenylosuccinic acid"	"C14H18N5O11P"	"463.074"	"M+K+CF3COOH"	152.95602
"807570"	265.1175	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M"	0
"984390"	246.09911	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-H2O-H"	-19.01839
"67163"	175.737724	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M-3H"	-3.021828
"503686"	264.110224	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M-3H"	-3.021828
"880555"	87.365224	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-3H"	-3.021828
"1033"	264.110224	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M-2H"	-2.014552
"451410"	396.668974	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M-2H"	-2.014552
"821557"	131.551474	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-2H"	-2.014552
"79726"	529.227724	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M-H"	-1.007276
"520139"	794.345224	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M-H"	-1.007276
"896603"	264.110224	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-H"	-1.007276
"47294"	546.254271	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M-2H+NH4"	16.019271
"489560"	811.371771	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M-2H+NH4"	16.019271
"867374"	281.136771	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-2H+NH4"	16.019271
"34181"	551.209666	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M-2H+Na"	20.974666
"474834"	816.327166	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M-2H+Na"	20.974666
"862119"	286.092166	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-2H+Na"	20.974666
"1624361"	286.092166	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Na-2H"	20.974666
"100891"	282.098563	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M-H+Cl"	33.962126
"539359"	414.657313	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M-H+Cl"	33.962126
"928863"	149.539813	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-H+Cl"	33.962126
"267778"	565.204402	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+Cl"	34.969402
"660324"	830.321902	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+Cl"	34.969402
"1272817"	300.086902	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Cl"	34.969402
"15805"	567.183606	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M-2H+K"	36.948606
"456304"	832.301106	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M-2H+K"	36.948606
"837269"	302.066106	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-2H+K"	36.948606
"1561854"	302.066106	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+K-2H"	36.948606
"951927"	310.115694	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-H+HCOOH"	44.998194
"369048"	575.233201	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+HCOOH-H"	44.998201
"348189"	589.248851	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+Hac-H"	59.013851
"1495563"	324.131351	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Hac-H"	59.013851
"959459"	332.097651	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-H+NaCOOH"	66.980151
"114565"	300.086902	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+2Cl"	69.938804
"554489"	432.645652	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+2Cl"	69.938804
"1022924"	167.528152	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2Cl"	69.938804
"1241447"	344.036385	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Br"	78.918885
"1309690"	346.092372	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Cl+HCOOH"	80.974872
"1323902"	368.074329	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Cl+NaCOOH"	102.956829
"913507"	378.103086	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M-H+CF3COOH"	112.985586
"1291310"	414.079764	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Cl+CF3COOH"	148.962264
"1370201"	230.104824	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H-2H2O"	-35.012676
"1388791"	248.1148	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H-H2O"	-17.0027
"294676"	531.242276	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+H"	1.007276
"687098"	796.359776	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+H"	1.007276
"1359071"	266.124776	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H"	1.007276
"139622"	266.124776	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+2H"	2.014552
"577361"	398.683526	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+2H"	2.014552
"1048347"	133.566026	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2H"	2.014552
"208224"	177.752276	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+3H"	3.021828
"648878"	266.124776	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+3H"	3.021828
"1165059"	89.379776	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+3H"	3.021828
"426997"	548.268823	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+NH4"	18.033823
"790177"	813.386323	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+NH4"	18.033823
"1688695"	283.151323	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+NH4"	18.033823
"333694"	274.6380495	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+H+NH4"	19.041099
"729396"	407.1967995	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+H+NH4"	19.041099
"1487592"	142.0792995	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H+NH4"	19.041099
"407855"	553.224218	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+Na"	22.989218
"767273"	818.341718	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+Na"	22.989218
"1613182"	288.106718	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Na"	22.989218
"329173"	277.115747	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+H+Na"	23.996494
"717824"	409.674497	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+H+Na"	23.996494
"1470551"	144.556997	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H+Na"	23.996494
"1061611"	96.70709	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2H+Na"	25.00377
"1267662"	298.150986	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+CH3OH+H"	33.033486
"389516"	569.198158	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+K"	38.963158
"748325"	834.315658	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+K"	38.963158
"1546002"	304.080658	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+K"	38.963158
"299907"	285.102717	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+H+K"	39.970434
"692691"	417.661467	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+H+K"	39.970434
"1448701"	152.543967	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H+K"	39.970434
"239126"	572.268826	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+ACN+H"	42.033826
"1217302"	307.151326	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+ACN+H"	42.033826
"1203375"	154.079301	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+ACN+2H"	43.041102
"200986"	575.20616	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+2Na-H"	44.97116
"638723"	840.32366	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+2Na-H"	44.97116
"1142591"	310.08866	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2Na-H"	44.97116
"179325"	288.106718	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+2Na"	45.978436
"623258"	420.665468	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+2Na"	45.978436
"1126767"	155.547968	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2Na"	45.978436
"1408100"	104.034404	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H+2Na"	46.985712
"1434754"	312.130246	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H+HCOOH"	47.012746
"224449"	293.13974	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+3H2O+2H"	56.04448
"1515791"	326.18229	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+IsoProp+H"	61.06479
"416569"	296.093688	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+Na+K"	61.952376
"773191"	428.652438	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+Na+K"	61.952376
"1669521"	163.534938	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Na+K"	61.952376
"264794"	594.250768	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+ACN+Na"	64.015768
"1234222"	329.133268	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+ACN+Na"	64.015768
"1722014"	329.156793	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+NH4+HCOOH"	64.039293
"1193699"	111.361718	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+3Na"	68.967654
"1659455"	334.112188	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Na+HCOOH"	68.994688
"168508"	607.15404	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+2K-H"	76.91904
"609890"	872.27154	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+2K-H"	76.91904
"1096592"	342.03654	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2K-H"	76.91904
"154863"	304.080658	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"2M+2K"	77.926316
"595518"	436.639408	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"3M+2K"	77.926316
"1080031"	171.521908	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2K"	77.926316
"1105585"	344.051092	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2K+H"	78.933592
"1345250"	344.138707	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+DMSO+H"	79.021207
"1015968"	348.177876	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2ACN+H"	83.060376
"1533000"	349.171508	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+IsoProp+Na+H"	84.054008
"1001636"	174.592576	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+2ACN+2H"	84.067652
"1599420"	350.086128	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+K+HCOOH"	84.968628
"1421799"	380.117638	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+H+CF3COOH"	115.000138
"1152087"	195.105851	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+3ACN+2H"	125.094202
"1706012"	397.144185	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+NH4+CF3COOH"	132.026685
"1644944"	402.09958	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+Na+CF3COOH"	136.98208
"1577313"	418.07352	"C03795"	"N6-Methyl-2-deoxyadenosine"	"C11H15N5O3"	"265.1175"	"M+K+CF3COOH"	152.95602
"812055"	767.3857	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M"	0
"977940"	748.36731	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-H2O-H"	-19.01839
"63994"	510.583190666667	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M-3H"	-3.021828
"504646"	766.378424	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M-3H"	-3.021828
"884636"	254.787957333333	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-3H"	-3.021828
"3209"	766.378424	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M-2H"	-2.014552
"448241"	1150.071274	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M-2H"	-2.014552
"820575"	382.685574	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-2H"	-2.014552
"83846"	1533.764124	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M-H"	-1.007276
"519519"	2301.149824	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M-H"	-1.007276
"897200"	766.378424	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-H"	-1.007276
"48539"	1550.790671	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M-2H+NH4"	16.019271
"489681"	2318.176371	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M-2H+NH4"	16.019271
"870766"	783.404971	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-2H+NH4"	16.019271
"36478"	1555.746066	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M-2H+Na"	20.974666
"478226"	2323.131766	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M-2H+Na"	20.974666
"861501"	788.360366	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-2H+Na"	20.974666
"1623378"	788.360366	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Na-2H"	20.974666
"99908"	784.366763	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M-H+Cl"	33.962126
"541656"	1168.059613	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M-H+Cl"	33.962126
"928973"	400.673913	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-H+Cl"	33.962126
"267770"	1569.740802	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+Cl"	34.969402
"661286"	2337.126502	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+Cl"	34.969402
"1274055"	802.355102	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Cl"	34.969402
"16118"	1571.720006	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M-2H+K"	36.948606
"459577"	2339.105706	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M-2H+K"	36.948606
"838472"	804.334306	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-2H+K"	36.948606
"1561964"	804.334306	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+K-2H"	36.948606
"946569"	812.383894	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-H+HCOOH"	44.998194
"363689"	1579.769601	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+HCOOH-H"	44.998201
"345948"	1593.785251	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+Hac-H"	59.013851
"1492999"	826.399551	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Hac-H"	59.013851
"958837"	834.365851	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-H+NaCOOH"	66.980151
"110417"	802.355102	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+2Cl"	69.938804
"550708"	1186.047952	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+2Cl"	69.938804
"1023032"	418.662252	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2Cl"	69.938804
"1241671"	846.304585	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Br"	78.918885
"1307977"	848.360572	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Cl+HCOOH"	80.974872
"1323286"	870.342529	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Cl+NaCOOH"	102.956829
"912521"	880.371286	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M-H+CF3COOH"	112.985586
"1289231"	916.347964	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Cl+CF3COOH"	148.962264
"1369947"	732.373024	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H-2H2O"	-35.012676
"1388901"	750.383	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H-H2O"	-17.0027
"294786"	1535.778676	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+H"	1.007276
"682833"	2303.164376	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+H"	1.007276
"1359181"	768.392976	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H"	1.007276
"139732"	768.392976	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+2H"	2.014552
"577835"	1152.085826	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+2H"	2.014552
"1048821"	384.700126	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2H"	2.014552
"214896"	512.597742666667	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+3H"	3.021828
"654458"	768.392976	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+3H"	3.021828
"1168208"	256.802509333333	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+3H"	3.021828
"432574"	1552.805223	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+NH4"	18.033823
"793569"	2320.190923	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+NH4"	18.033823
"1693179"	785.419523	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+NH4"	18.033823
"340368"	776.9062495	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+H+NH4"	19.041099
"733881"	1160.5990995	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+H+NH4"	19.041099
"1487702"	393.2133995	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H+NH4"	19.041099
"404196"	1557.760618	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+Na"	22.989218
"767384"	2325.146318	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+Na"	22.989218
"1613293"	790.374918	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Na"	22.989218
"329647"	779.383947	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+H+Na"	23.996494
"717936"	1163.076797	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+H+Na"	23.996494
"1469569"	395.691097	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H+Na"	23.996494
"1065000"	264.129823333333	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2H+Na"	25.00377
"1272310"	800.419186	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+CH3OH+H"	33.033486
"386345"	1573.734558	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+K"	38.963158
"747340"	2341.120258	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+K"	38.963158
"1548299"	806.348858	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+K"	38.963158
"299290"	787.370917	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+H+K"	39.970434
"694627"	1171.063767	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+H+K"	39.970434
"1451727"	403.678067	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H+K"	39.970434
"242516"	1576.805226	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+ACN+H"	42.033826
"1220692"	809.419526	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+ACN+H"	42.033826
"1205672"	405.213401	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+ACN+2H"	43.041102
"198545"	1579.74256	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+2Na-H"	44.97116
"641022"	2347.12826	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+2Na-H"	44.97116
"1141608"	812.35686	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2Na-H"	44.97116
"179436"	790.374918	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+2Na"	45.978436
"623368"	1174.067768	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+2Na"	45.978436
"1126877"	406.682068	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2Na"	45.978436
"1407117"	271.457137333333	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H+2Na"	46.985712
"1433770"	814.398446	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H+HCOOH"	47.012746
"220669"	795.40794	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+3H2O+2H"	56.04448
"1509581"	828.45049	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+IsoProp+H"	61.06479
"409509"	798.361888	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+Na+K"	61.952376
"771598"	1182.054738	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+Na+K"	61.952376
"1668899"	414.669038	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Na+K"	61.952376
"263812"	1598.787168	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+ACN+Na"	64.015768
"1234332"	831.401468	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+ACN+Na"	64.015768
"1722124"	831.424993	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+NH4+HCOOH"	64.039293
"1193923"	278.784451333333	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+3Na"	68.967654
"1659565"	836.380388	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Na+HCOOH"	68.994688
"170077"	1611.69044	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+2K-H"	76.91904
"609639"	2379.07614	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+2K-H"	76.91904
"1095975"	844.30474	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2K-H"	76.91904
"152789"	806.348858	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"2M+2K"	77.926316
"590162"	1190.041708	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"3M+2K"	77.926316
"1080141"	422.656008	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2K"	77.926316
"1102415"	846.319292	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2K+H"	78.933592
"1342080"	846.406907	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+DMSO+H"	79.021207
"1014985"	850.446076	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2ACN+H"	83.060376
"1534204"	851.439708	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+IsoProp+Na+H"	84.054008
"997371"	425.726676	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+2ACN+2H"	84.067652
"1596250"	852.354328	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+K+HCOOH"	84.968628
"1415348"	882.385838	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+H+CF3COOH"	115.000138
"1152197"	446.239951	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+3ACN+2H"	125.094202
"1705029"	899.412385	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+NH4+CF3COOH"	132.026685
"1642866"	904.36778	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+Na+CF3COOH"	136.98208
"1577423"	920.34172	"C03796"	"Oleandomycin 2-O-phosphate"	"C35H62NO15P"	"767.3857"	"M+K+CF3COOH"	152.95602
"809977"	249.9871	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M"	0
"982423"	230.96871	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-H2O-H"	-19.01839
"67383"	165.650790666667	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M-3H"	-3.021828
"505850"	248.979824	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M-3H"	-3.021828
"884746"	82.3217573333333	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-3H"	-3.021828
"5506"	248.979824	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M-2H"	-2.014552
"449445"	373.973374	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M-2H"	-2.014552
"822871"	123.986274	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-2H"	-2.014552
"85049"	498.966924	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M-H"	-1.007276
"523517"	748.954024	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M-H"	-1.007276
"899133"	248.979824	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-H"	-1.007276
"49137"	515.993471	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M-2H+NH4"	16.019271
"488940"	765.980571	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M-2H+NH4"	16.019271
"869783"	266.006371	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-2H+NH4"	16.019271
"36588"	520.948866	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M-2H+Na"	20.974666
"478336"	770.935966	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M-2H+Na"	20.974666
"861246"	270.961766	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-2H+Na"	20.974666
"1623488"	270.961766	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Na-2H"	20.974666
"98925"	266.968163	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M-H+Cl"	33.962126
"541766"	391.961713	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M-H+Cl"	33.962126
"927987"	141.974613	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-H+Cl"	33.962126
"268366"	534.943602	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+Cl"	34.969402
"662976"	784.930702	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+Cl"	34.969402
"1274165"	284.956502	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Cl"	34.969402
"16594"	536.922806	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M-2H+K"	36.948606
"460780"	786.909906	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M-2H+K"	36.948606
"836759"	286.935706	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-2H+K"	36.948606
"1560980"	286.935706	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+K-2H"	36.948606
"948866"	294.985294	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-H+HCOOH"	44.998194
"363435"	544.972401	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+HCOOH-H"	44.998201
"346946"	558.988051	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+Hac-H"	59.013851
"1494080"	309.000951	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Hac-H"	59.013851
"959433"	316.967251	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-H+NaCOOH"	66.980151
"110891"	284.956502	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+2Cl"	69.938804
"550936"	409.950052	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+2Cl"	69.938804
"1023263"	159.962952	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2Cl"	69.938804
"1242111"	328.905985	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Br"	78.918885
"1308816"	330.961972	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Cl+HCOOH"	80.974872
"1326312"	352.943929	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Cl+NaCOOH"	102.956829
"913722"	362.972686	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M-H+CF3COOH"	112.985586
"1290436"	398.949364	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Cl+CF3COOH"	148.962264
"1371149"	214.974424	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H-2H2O"	-35.012676
"1389375"	232.9844	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H-H2O"	-17.0027
"292708"	500.981476	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+H"	1.007276
"686223"	750.968576	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+H"	1.007276
"1362938"	250.994376	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H"	1.007276
"140208"	250.994376	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+2H"	2.014552
"577214"	375.987926	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+2H"	2.014552
"1052737"	126.000826	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2H"	2.014552
"216102"	167.665342666667	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+3H"	3.021828
"654568"	250.994376	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+3H"	3.021828
"1174880"	84.3363093333333	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+3H"	3.021828
"435966"	518.008023	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+NH4"	18.033823
"795868"	767.995123	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+NH4"	18.033823
"1690010"	268.020923	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+NH4"	18.033823
"344853"	259.5076495	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+H+NH4"	19.041099
"736181"	384.5011995	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+H+NH4"	19.041099
"1490001"	134.5140995	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H+NH4"	19.041099
"403214"	522.963418	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+Na"	22.989218
"769439"	772.950518	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+Na"	22.989218
"1614498"	272.976318	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Na"	22.989218
"325626"	261.985347	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+H+Na"	23.996494
"722546"	386.978897	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+H+Na"	23.996494
"1474055"	136.991797	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H+Na"	23.996494
"1067178"	91.6636233333333	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2H+Na"	25.00377
"1272383"	283.020586	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+CH3OH+H"	33.033486
"389736"	538.937358	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+K"	38.963158
"749638"	788.924458	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+K"	38.963158
"1548412"	288.950258	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+K"	38.963158
"299520"	269.972317	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+H+K"	39.970434
"696924"	394.965867	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+H+K"	39.970434
"1457304"	144.978767	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H+K"	39.970434
"248093"	542.008026	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+ACN+H"	42.033826
"1224570"	292.020926	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+ACN+H"	42.033826
"1208696"	146.514101	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+ACN+2H"	43.041102
"198654"	544.94536	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+2Na-H"	44.97116
"643684"	794.93246	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+2Na-H"	44.97116
"1145001"	294.95826	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2Na-H"	44.97116
"186469"	272.976318	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+2Na"	45.978436
"626396"	397.969868	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+2Na"	45.978436
"1128809"	147.982768	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2Na"	45.978436
"1412330"	98.9909373333333	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H+2Na"	46.985712
"1433880"	296.999846	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H+HCOOH"	47.012746
"224665"	278.00934	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+3H2O+2H"	56.04448
"1511635"	311.05189	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+IsoProp+H"	61.06479
"414600"	280.963288	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+Na+K"	61.952376
"775596"	405.956838	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+Na+K"	61.952376
"1671197"	155.969738	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Na+K"	61.952376
"264650"	563.989968	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+ACN+Na"	64.015768
"1236629"	314.002868	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+ACN+Na"	64.015768
"1722234"	314.026393	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+NH4+HCOOH"	64.039293
"1192938"	106.318251333333	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+3Na"	68.967654
"1657488"	318.981788	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Na+HCOOH"	68.994688
"170551"	576.89324	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+2K-H"	76.91904
"607194"	826.88034	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+2K-H"	76.91904
"1094987"	326.90614	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2K-H"	76.91904
"153990"	288.950258	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"2M+2K"	77.926316
"590272"	413.943808	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"3M+2K"	77.926316
"1076971"	163.956708	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2K"	77.926316
"1107993"	328.920692	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2K+H"	78.933592
"1342190"	329.008307	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+DMSO+H"	79.021207
"1016189"	333.047476	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2ACN+H"	83.060376
"1533220"	334.041108	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+IsoProp+Na+H"	84.054008
"997481"	167.027376	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+2ACN+2H"	84.067652
"1596360"	334.955728	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+K+HCOOH"	84.968628
"1418738"	364.987238	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+H+CF3COOH"	115.000138
"1149025"	187.540651	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+3ACN+2H"	125.094202
"1705139"	382.013785	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+NH4+CF3COOH"	132.026685
"1639696"	386.96918	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+Na+CF3COOH"	136.98208
"1577533"	402.94312	"C03797"	"Oxidized Photinus luciferin"	"C10H6N2O2S2"	"249.9871"	"M+K+CF3COOH"	152.95602
"804626"	136.0194	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M"	0
"981437"	117.00101	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-H2O-H"	-19.01839
"72959"	89.672324	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M-3H"	-3.021828
"509239"	135.012124	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M-3H"	-3.021828
"885949"	44.332524	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-3H"	-3.021828
"12179"	135.012124	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M-2H"	-2.014552
"451739"	203.021824	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M-2H"	-2.014552
"825166"	67.002424	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-2H"	-2.014552
"88440"	271.031524	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M-H"	-1.007276
"523629"	407.050924	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M-H"	-1.007276
"897181"	135.012124	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-H"	-1.007276
"52529"	288.058071	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M-2H+NH4"	16.019271
"492090"	424.077471	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M-2H+NH4"	16.019271
"864662"	152.038671	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-2H+NH4"	16.019271
"42902"	293.013466	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M-2H+Na"	20.974666
"483192"	429.032866	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M-2H+Na"	20.974666
"859170"	156.994066	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-2H+Na"	20.974666
"1626880"	156.994066	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Na-2H"	20.974666
"101221"	153.000463	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M-H+Cl"	33.962126
"544061"	221.010163	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M-H+Cl"	33.962126
"929921"	84.990763	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-H+Cl"	33.962126
"272859"	307.008202	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+Cl"	34.969402
"666372"	443.027602	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+Cl"	34.969402
"1280965"	170.988802	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Cl"	34.969402
"26801"	308.987406	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M-2H+K"	36.948606
"461987"	445.006806	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M-2H+K"	36.948606
"838695"	172.968006	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-2H+K"	36.948606
"1565466"	172.968006	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+K-2H"	36.948606
"950069"	181.017594	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-H+HCOOH"	44.998194
"373753"	317.037001	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+HCOOH-H"	44.998201
"356543"	331.052651	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+Hac-H"	59.013851
"1499906"	195.033251	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Hac-H"	59.013851
"964169"	202.999551	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-H+NaCOOH"	66.980151
"113077"	170.988802	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+2Cl"	69.938804
"550930"	238.998502	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+2Cl"	69.938804
"1022037"	102.979102	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2Cl"	69.938804
"1244654"	214.938285	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Br"	78.918885
"1308926"	216.994272	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Cl+HCOOH"	80.974872
"1321683"	238.976229	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Cl+NaCOOH"	102.956829
"913469"	249.004986	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M-H+CF3COOH"	112.985586
"1291640"	284.981664	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Cl+CF3COOH"	148.962264
"1374544"	101.006724	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H-2H2O"	-35.012676
"1394228"	119.0167	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H-H2O"	-17.0027
"291728"	273.046076	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+H"	1.007276
"686337"	409.065476	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+H"	1.007276
"1366211"	137.026676	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H"	1.007276
"141305"	137.026676	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+2H"	2.014552
"579510"	205.036376	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+2H"	2.014552
"1050864"	69.016976	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2H"	2.014552
"216212"	91.686876	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+3H"	3.021828
"656869"	137.026676	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+3H"	3.021828
"1176086"	46.347076	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+3H"	3.021828
"436078"	290.072623	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+NH4"	18.033823
"794886"	426.092023	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+NH4"	18.033823
"1692311"	154.053223	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+NH4"	18.033823
"342775"	145.5399495	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+H+NH4"	19.041099
"731916"	213.5496495	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+H+NH4"	19.041099
"1490111"	77.5302495	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H+NH4"	19.041099
"407338"	295.028018	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+Na"	22.989218
"769635"	431.047418	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+Na"	22.989218
"1617771"	159.008618	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Na"	22.989218
"328899"	148.017647	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+H+Na"	23.996494
"717063"	216.027347	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+H+Na"	23.996494
"1473072"	80.007947	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H+Na"	23.996494
"1063037"	53.67439	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2H+Na"	25.00377
"1266904"	169.052886	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+CH3OH+H"	33.033486
"385480"	311.001958	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+K"	38.963158
"749755"	447.021358	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+K"	38.963158
"1553632"	174.982558	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+K"	38.963158
"311172"	156.004617	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+H+K"	39.970434
"706510"	224.014317	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+H+K"	39.970434
"1458508"	87.994917	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H+K"	39.970434
"250028"	314.072626	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+ACN+H"	42.033826
"1220917"	178.053226	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+ACN+H"	42.033826
"1206260"	89.530251	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+ACN+2H"	43.041102
"200951"	317.00996	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+2Na-H"	44.97116
"640515"	453.02936	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+2Na-H"	44.97116
"1144386"	180.99056	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2Na-H"	44.97116
"188000"	159.008618	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+2Na"	45.978436
"628332"	227.018318	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+2Na"	45.978436
"1127097"	90.998918	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2Na"	45.978436
"1408431"	61.001704	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H+2Na"	46.985712
"1435083"	183.032146	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H+HCOOH"	47.012746
"222955"	164.04164	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+3H2O+2H"	56.04448
"1520499"	197.08419	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+IsoProp+H"	61.06479
"414718"	166.995588	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+Na+K"	61.952376
"780092"	235.005288	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+Na+K"	61.952376
"1668768"	98.985888	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Na+K"	61.952376
"261851"	336.054568	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+ACN+Na"	64.015768
"1238937"	200.035168	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+ACN+Na"	64.015768
"1722354"	200.058693	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+NH4+HCOOH"	64.039293
"1182240"	68.329018	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+3Na"	68.967654
"1657601"	205.014088	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Na+HCOOH"	68.994688
"165556"	348.95784	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+2K-H"	76.91904
"607304"	484.97724	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+2K-H"	76.91904
"1098376"	212.93844	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2K-H"	76.91904
"148633"	174.982558	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"2M+2K"	77.926316
"593662"	242.992258	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"3M+2K"	77.926316
"1079267"	106.972858	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2K"	77.926316
"1108105"	214.952992	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2K+H"	78.933592
"1342304"	215.040607	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+DMSO+H"	79.021207
"1015208"	219.079776	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2ACN+H"	83.060376
"1533332"	220.073408	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+IsoProp+Na+H"	84.054008
"1000872"	110.043526	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+2ACN+2H"	84.067652
"1594281"	220.988028	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+K+HCOOH"	84.968628
"1418848"	251.019538	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+H+CF3COOH"	115.000138
"1149135"	130.556801	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+3ACN+2H"	125.094202
"1699778"	268.046085	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+NH4+CF3COOH"	132.026685
"1636157"	273.00148	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+Na+CF3COOH"	136.98208
"1577650"	288.97542	"C03804"	"S-Methyl-1-thio-D-glycerate"	"C4H8O3S"	"136.0194"	"M+K+CF3COOH"	152.95602
"811296"	436.259	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M"	0
"978267"	417.24061	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-H2O-H"	-19.01839
"71975"	289.832057333333	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M-3H"	-3.021828
"509351"	435.251724	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M-3H"	-3.021828
"886059"	144.412390666667	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-3H"	-3.021828
"11195"	435.251724	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M-2H"	-2.014552
"451850"	653.381224	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M-2H"	-2.014552
"827464"	217.122224	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-2H"	-2.014552
"87457"	871.510724	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M-H"	-1.007276
"522646"	1307.769724	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M-H"	-1.007276
"899357"	435.251724	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-H"	-1.007276
"50450"	888.537271	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M-2H+NH4"	16.019271
"492200"	1324.796271	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M-2H+NH4"	16.019271
"864410"	452.278271	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-2H+NH4"	16.019271
"43375"	893.492666	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M-2H+Na"	20.974666
"480749"	1329.751666	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M-2H+Na"	20.974666
"861102"	457.233666	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-2H+Na"	20.974666
"1630636"	457.233666	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Na-2H"	20.974666
"102424"	453.240063	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M-H+Cl"	33.962126
"544171"	671.369563	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M-H+Cl"	33.962126
"930031"	235.110563	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-H+Cl"	33.962126
"276249"	907.487402	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+Cl"	34.969402
"666482"	1343.746402	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+Cl"	34.969402
"1284356"	471.228402	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Cl"	34.969402
"26912"	909.466606	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M-2H+K"	36.948606
"462096"	1345.725606	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M-2H+K"	36.948606
"838438"	473.207606	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-2H+K"	36.948606
"1567763"	473.207606	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+K-2H"	36.948606
"955646"	481.257194	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-H+HCOOH"	44.998194
"374957"	917.516201	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+HCOOH-H"	44.998201
"358839"	931.531851	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+Hac-H"	59.013851
"1503296"	495.272851	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Hac-H"	59.013851
"966464"	503.239151	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-H+NaCOOH"	66.980151
"117560"	471.228402	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+2Cl"	69.938804
"560399"	689.357902	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+2Cl"	69.938804
"1029197"	253.098902	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2Cl"	69.938804
"1247681"	515.177885	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Br"	78.918885
"1310494"	517.233872	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Cl+HCOOH"	80.974872
"1321427"	539.215829	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Cl+NaCOOH"	102.956829
"914311"	549.244586	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M-H+CF3COOH"	112.985586
"1296490"	585.221264	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Cl+CF3COOH"	148.962264
"1374654"	401.246324	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H-2H2O"	-35.012676
"1393245"	419.2563	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H-H2O"	-17.0027
"292932"	873.525276	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+H"	1.007276
"686447"	1309.784276	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+H"	1.007276
"1366077"	437.266276	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H"	1.007276
"141283"	437.266276	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+2H"	2.014552
"579988"	655.395776	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+2H"	2.014552
"1049514"	219.136776	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2H"	2.014552
"217051"	291.846609333333	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+3H"	3.021828
"658802"	437.266276	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+3H"	3.021828
"1175467"	146.426942666667	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+3H"	3.021828
"437282"	890.551823	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+NH4"	18.033823
"799006"	1326.810823	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+NH4"	18.033823
"1692421"	454.292823	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+NH4"	18.033823
"341791"	445.7795495	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+H+NH4"	19.041099
"733119"	663.9090495	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+H+NH4"	19.041099
"1490221"	227.6500495	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H+NH4"	19.041099
"408503"	895.507218	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+Na"	22.989218
"769541"	1331.766218	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+Na"	22.989218
"1617518"	459.248218	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Na"	22.989218
"328770"	448.257247	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+H+Na"	23.996494
"721915"	666.386747	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+H+Na"	23.996494
"1473183"	230.127747	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H+Na"	23.996494
"1066064"	153.754256666667	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2H+Na"	25.00377
"1269201"	469.292486	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+CH3OH+H"	33.033486
"391057"	911.481158	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+K"	38.963158
"751688"	1347.740158	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+K"	38.963158
"1555323"	475.222158	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+K"	38.963158
"312255"	456.244217	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+H+K"	39.970434
"704797"	674.373717	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+H+K"	39.970434
"1458617"	238.114717	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H+K"	39.970434
"250139"	914.551826	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+ACN+H"	42.033826
"1225407"	478.292826	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+ACN+H"	42.033826
"1209611"	239.650051	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+ACN+2H"	43.041102
"203980"	917.48916	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+2Na-H"	44.97116
"643546"	1353.74816	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+2Na-H"	44.97116
"1146081"	481.23016	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2Na-H"	44.97116
"187550"	459.248218	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+2Na"	45.978436
"628084"	677.377718	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+2Na"	45.978436
"1130733"	241.118718	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2Na"	45.978436
"1410731"	161.081570666667	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H+2Na"	46.985712
"1441754"	483.271746	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H+HCOOH"	47.012746
"231450"	464.28124	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+3H2O+2H"	56.04448
"1520609"	497.32379	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+IsoProp+H"	61.06479
"414828"	467.235188	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+Na+K"	61.952376
"778016"	685.364688	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+Na+K"	61.952376
"1671066"	249.105688	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Na+K"	61.952376
"264148"	936.533768	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+ACN+Na"	64.015768
"1240507"	500.274768	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+ACN+Na"	64.015768
"1724651"	500.298293	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+NH4+HCOOH"	64.039293
"1191098"	168.408884666667	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+3Na"	68.967654
"1662085"	505.253688	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Na+HCOOH"	68.994688
"171134"	949.43704	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+2K-H"	76.91904
"612032"	1385.69604	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+2K-H"	76.91904
"1099461"	513.17804	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2K-H"	76.91904
"153119"	475.222158	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"2M+2K"	77.926316
"591586"	693.351658	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"3M+2K"	77.926316
"1081564"	257.092658	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2K"	77.926316
"1107121"	515.192592	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2K+H"	78.933592
"1340226"	515.280207	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+DMSO+H"	79.021207
"1017142"	519.319376	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2ACN+H"	83.060376
"1535630"	520.313008	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+IsoProp+Na+H"	84.054008
"999891"	260.163326	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+2ACN+2H"	84.067652
"1596577"	521.227628	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+K+HCOOH"	84.968628
"1424425"	551.259138	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+H+CF3COOH"	115.000138
"1151432"	280.676601	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+3ACN+2H"	125.094202
"1700981"	568.285685	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+NH4+CF3COOH"	132.026685
"1635902"	573.24108	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+Na+CF3COOH"	136.98208
"1577760"	589.21502	"C03805"	"Stearoylglycerone phosphate"	"C21H41O7P"	"436.259"	"M+K+CF3COOH"	152.95602
"804848"	260.0297	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"987131"	241.01131	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"77684"	172.345857333333	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"510559"	259.022424	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"888362"	85.6692906666667	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"9125"	259.022424	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"448685"	389.037274	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"823208"	129.007574	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"79188"	519.052124	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"519232"	779.081824	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"898377"	259.022424	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"50564"	536.078671	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"495232"	796.108371	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"869026"	276.048971	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"33646"	541.034066	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"475393"	801.063766	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"849020"	281.004366	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1621633"	281.004366	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"100352"	277.010763	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"546479"	407.025613	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"937807"	146.995913	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"274178"	555.028802	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"665505"	815.058502	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1279001"	294.999102	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"23744"	557.008006	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"468410"	817.037706	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"841108"	296.978306	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1564595"	296.978306	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"948102"	305.027894	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"372878"	565.057601	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"352387"	579.073251	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1494294"	319.043551	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"962200"	327.009851	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"116574"	294.999102	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"552121"	425.013952	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1027119"	164.984252	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1244508"	338.948585	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1308781"	341.004572	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1322630"	362.986529	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"923177"	373.015286	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1296605"	408.991964	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1370026"	225.017024	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1394450"	243.027	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"297417"	521.066676	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"685464"	781.096376	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1364730"	261.036976	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"138713"	261.036976	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"578272"	391.051826	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1045246"	131.022126	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"215336"	174.360409333333	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"652708"	261.036976	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1174115"	87.6838426666667	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"434111"	538.093223	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"794012"	798.122923	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1695815"	278.063523	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"344093"	269.5502495	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"736150"	399.5650995	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1492474"	139.5353995	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"406466"	543.048618	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"767826"	803.078318	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1615921"	283.018918	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"325961"	272.027947	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"718379"	402.042797	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1471106"	142.013097	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1062165"	95.0111566666667	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1263844"	293.063186	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"385700"	559.022558	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"748884"	819.052258	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1549841"	298.992858	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"312363"	280.014917	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"700533"	410.029767	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1453260"	150.000067	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"245141"	562.093226	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1220044"	302.063526	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1204656"	151.535401	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"200080"	565.03056	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"641463"	825.06026	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1146067"	305.00086	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"187175"	283.018918	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"624541"	413.033768	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1129503"	153.004068	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1410111"	102.338470666667	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1442963"	307.042446	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"234119"	288.05194	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1522183"	321.09449	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"418954"	291.005888	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"780679"	421.020738	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1671177"	160.991038	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"253324"	584.075168	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1230407"	324.045468	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1721481"	324.068993	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1186836"	109.665784666667	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1661102"	329.024388	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"163590"	596.97844	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"610804"	857.00814	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1096778"	336.94874	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"148855"	298.992858	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"592788"	429.007708	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1078395"	168.978008	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1108326"	338.963292	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1340337"	339.050907	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1016888"	343.090076	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1532457"	344.083708	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"998905"	172.048676	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1591220"	344.998328	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1414329"	375.029838	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1147658"	192.561951	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1702195"	392.056385	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1636754"	397.01178	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1577872"	412.98572	"C03811"	"alpha-D-Glucose 3-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"804958"	156.0535	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M"	0
"986147"	137.03511	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-H2O-H"	-19.01839
"77550"	103.028390666667	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M-3H"	-3.021828
"510669"	155.046224	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M-3H"	-3.021828
"885192"	51.0105573333333	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-3H"	-3.021828
"9235"	155.046224	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M-2H"	-2.014552
"448795"	233.072974	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M-2H"	-2.014552
"823318"	77.019474	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-2H"	-2.014552
"80028"	311.099724	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M-H"	-1.007276
"520681"	467.153224	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M-H"	-1.007276
"897394"	155.046224	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-H"	-1.007276
"49581"	328.126271	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M-2H+NH4"	16.019271
"494613"	484.179771	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M-2H+NH4"	16.019271
"870593"	172.072771	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-2H+NH4"	16.019271
"34120"	333.081666	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M-2H+Na"	20.974666
"475867"	489.135166	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M-2H+Na"	20.974666
"850388"	177.028166	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-2H+Na"	20.974666
"1621743"	177.028166	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Na-2H"	20.974666
"100462"	173.034563	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M-H+Cl"	33.962126
"544402"	251.061313	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M-H+Cl"	33.962126
"936824"	95.007813	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-H+Cl"	33.962126
"271008"	347.076402	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+Cl"	34.969402
"664522"	503.129902	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+Cl"	34.969402
"1280205"	191.022902	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Cl"	34.969402
"24947"	349.055606	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M-2H+K"	36.948606
"460136"	505.109106	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M-2H+K"	36.948606
"842312"	193.002106	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-2H+K"	36.948606
"1564706"	193.002106	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+K-2H"	36.948606
"948213"	201.051694	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-H+HCOOH"	44.998194
"371532"	357.105201	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+HCOOH-H"	44.998201
"348124"	371.120851	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+Hac-H"	59.013851
"1495863"	215.067351	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Hac-H"	59.013851
"964497"	223.033651	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-H+NaCOOH"	66.980151
"118871"	191.022902	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+2Cl"	69.938804
"560983"	269.049652	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+2Cl"	69.938804
"1032697"	112.996152	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2Cl"	69.938804
"1246807"	234.972385	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Br"	78.918885
"1312536"	237.028372	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Cl+HCOOH"	80.974872
"1332219"	259.010329	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Cl+NaCOOH"	102.956829
"920006"	269.039086	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M-H+CF3COOH"	112.985586
"1297808"	305.015764	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Cl+CF3COOH"	148.962264
"1373781"	121.040824	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H-2H2O"	-35.012676
"1390184"	139.0508	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H-H2O"	-17.0027
"296435"	313.114276	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+H"	1.007276
"688854"	469.167776	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+H"	1.007276
"1365204"	157.060776	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H"	1.007276
"138094"	157.060776	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+2H"	2.014552
"579840"	235.087526	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+2H"	2.014552
"1050824"	79.034026	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2H"	2.014552
"217634"	105.042942666667	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+3H"	3.021828
"658285"	157.060776	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+3H"	3.021828
"1173134"	53.0251093333333	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+3H"	3.021828
"435312"	330.140823	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+NH4"	18.033823
"795217"	486.194323	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+NH4"	18.033823
"1696658"	174.087323	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+NH4"	18.033823
"343107"	165.5740495	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+H+NH4"	19.041099
"735529"	243.6007995	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+H+NH4"	19.041099
"1492113"	87.5472995	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H+NH4"	19.041099
"408200"	335.096218	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+Na"	22.989218
"769394"	491.149718	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+Na"	22.989218
"1614938"	179.042718	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Na"	22.989218
"326071"	168.051747	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+H+Na"	23.996494
"720677"	246.078497	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+H+Na"	23.996494
"1472311"	90.024997	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H+Na"	23.996494
"1062276"	60.3524233333333	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2H+Na"	25.00377
"1266141"	189.086986	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+CH3OH+H"	33.033486
"385811"	351.070158	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+K"	38.963158
"748994"	507.123658	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+K"	38.963158
"1548859"	195.016658	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+K"	38.963158
"311502"	176.038717	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+H+K"	39.970434
"705745"	254.065467	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+H+K"	39.970434
"1460617"	98.011967	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H+K"	39.970434
"250718"	354.140826	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+ACN+H"	42.033826
"1216868"	198.087326	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+ACN+H"	42.033826
"1206954"	99.547301	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+ACN+2H"	43.041102
"201650"	357.07816	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+2Na-H"	44.97116
"640842"	513.13166	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+2Na-H"	44.97116
"1142159"	201.02466	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2Na-H"	44.97116
"187642"	179.042718	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+2Na"	45.978436
"626473"	257.069468	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+2Na"	45.978436
"1128522"	101.015968	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2Na"	45.978436
"1409858"	67.6797373333333	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H+2Na"	46.985712
"1434686"	203.066246	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H+HCOOH"	47.012746
"224381"	184.07574	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+3H2O+2H"	56.04448
"1522664"	217.11829	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+IsoProp+H"	61.06479
"421252"	187.029688	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+Na+K"	61.952376
"782611"	265.056438	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+Na+K"	61.952376
"1677484"	109.002938	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Na+K"	61.952376
"256714"	376.122768	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+ACN+Na"	64.015768
"1234893"	220.069268	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+ACN+Na"	64.015768
"1722685"	220.092793	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+NH4+HCOOH"	64.039293
"1186946"	75.0070513333333	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+3Na"	68.967654
"1656837"	225.048188	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Na+HCOOH"	68.994688
"164793"	389.02604	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+2K-H"	76.91904
"608731"	545.07954	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+2K-H"	76.91904
"1092515"	232.97254	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2K-H"	76.91904
"146779"	195.016658	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"2M+2K"	77.926316
"588526"	273.043408	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"3M+2K"	77.926316
"1075227"	116.989908	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2K"	77.926316
"1102970"	234.987092	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2K+H"	78.933592
"1337166"	235.074707	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+DMSO+H"	79.021207
"1011163"	239.113876	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2ACN+H"	83.060376
"1531474"	240.107508	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+IsoProp+Na+H"	84.054008
"996830"	120.060576	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+2ACN+2H"	84.067652
"1595703"	241.022128	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+K+HCOOH"	84.968628
"1418084"	271.053638	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+H+CF3COOH"	115.000138
"1149833"	140.573851	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+3ACN+2H"	125.094202
"1702304"	288.080185	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+NH4+CF3COOH"	132.026685
"1637957"	293.03558	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+Na+CF3COOH"	136.98208
"1577982"	309.00952	"C03817"	"(S)-3-(Imidazol-5-yl)lactate"	"C6H8N2O3"	"156.0535"	"M+K+CF3COOH"	152.95602
"811630"	288.9673	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M"	0
"986259"	269.94891	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-H2O-H"	-19.01839
"75594"	191.637590666667	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M-3H"	-3.021828
"514062"	287.960024	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M-3H"	-3.021828
"892958"	95.3151573333333	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-3H"	-3.021828
"10440"	287.960024	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M-2H"	-2.014552
"441616"	432.443674	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M-2H"	-2.014552
"821243"	143.476374	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-2H"	-2.014552
"87798"	576.927324	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M-H"	-1.007276
"530639"	865.894624	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M-H"	-1.007276
"904070"	287.960024	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-H"	-1.007276
"53341"	593.953871	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M-2H+NH4"	16.019271
"493631"	882.921171	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M-2H+NH4"	16.019271
"866450"	304.986571	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-2H+NH4"	16.019271
"34230"	598.909266	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M-2H+Na"	20.974666
"475613"	887.876566	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M-2H+Na"	20.974666
"859979"	309.941966	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-2H+Na"	20.974666
"1625143"	309.941966	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Na-2H"	20.974666
"103856"	305.948363	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M-H+Cl"	33.962126
"546697"	450.432013	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M-H+Cl"	33.962126
"936932"	161.464713	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-H+Cl"	33.962126
"275491"	612.904002	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+Cl"	34.969402
"666818"	901.871302	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+Cl"	34.969402
"1274849"	323.936702	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Cl"	34.969402
"26155"	614.883206	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M-2H+K"	36.948606
"466808"	903.850506	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M-2H+K"	36.948606
"836955"	325.915906	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-2H+K"	36.948606
"1562629"	325.915906	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+K-2H"	36.948606
"946139"	333.965494	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-H+HCOOH"	44.998194
"369823"	622.932801	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+HCOOH-H"	44.998201
"356985"	636.948451	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+Hac-H"	59.013851
"1501443"	347.981151	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Hac-H"	59.013851
"961328"	355.947451	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-H+NaCOOH"	66.980151
"116800"	323.936702	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+2Cl"	69.938804
"552711"	468.420352	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+2Cl"	69.938804
"1023698"	179.453052	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2Cl"	69.938804
"1243273"	367.886185	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Br"	78.918885
"1318132"	369.942172	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Cl+HCOOH"	80.974872
"1333808"	391.924129	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Cl+NaCOOH"	102.956829
"925234"	401.952886	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M-H+CF3COOH"	112.985586
"1302544"	437.929564	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Cl+CF3COOH"	148.962264
"1381433"	253.954624	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H-2H2O"	-35.012676
"1397716"	271.9646	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H-H2O"	-17.0027
"296548"	578.941876	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+H"	1.007276
"690552"	867.909176	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+H"	1.007276
"1365205"	289.974576	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H"	1.007276
"136018"	289.974576	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+2H"	2.014552
"579950"	434.458226	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+2H"	2.014552
"1047657"	145.490926	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2H"	2.014552
"215561"	193.652142666667	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+3H"	3.021828
"654026"	289.974576	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+3H"	3.021828
"1173244"	97.3297093333334	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+3H"	3.021828
"433236"	595.968423	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+NH4"	18.033823
"793141"	884.935723	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+NH4"	18.033823
"1690566"	307.001123	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+NH4"	18.033823
"338843"	298.4878495	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+H+NH4"	19.041099
"732359"	442.9714995	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+H+NH4"	19.041099
"1490189"	154.0041995	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H+NH4"	19.041099
"403769"	600.923818	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+Na"	22.989218
"763670"	889.891118	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+Na"	22.989218
"1613955"	311.956518	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Na"	22.989218
"323992"	300.965547	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+H+Na"	23.996494
"717508"	445.449197	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+H+Na"	23.996494
"1469142"	156.481897	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H+Na"	23.996494
"1062388"	104.657023333333	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2H+Na"	25.00377
"1266253"	322.000786	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+CH3OH+H"	33.033486
"387013"	616.897758	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+K"	38.963158
"746919"	905.865058	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+K"	38.963158
"1545689"	327.930458	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+K"	38.963158
"306145"	308.952517	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+H+K"	39.970434
"700753"	453.436167	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+H+K"	39.970434
"1456767"	164.468867	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H+K"	39.970434
"242087"	619.968426	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+ACN+H"	42.033826
"1221357"	331.001126	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+ACN+H"	42.033826
"1207796"	166.004201	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+ACN+2H"	43.041102
"202124"	622.90576	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+2Na-H"	44.97116
"641318"	911.87306	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+2Na-H"	44.97116
"1138996"	333.93846	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2Na-H"	44.97116
"183377"	311.956518	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+2Na"	45.978436
"617837"	456.440168	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+2Na"	45.978436
"1122070"	167.472868	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2Na"	45.978436
"1408880"	111.984337333333	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H+2Na"	46.985712
"1444281"	335.980046	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H+HCOOH"	47.012746
"224139"	316.98954	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+3H2O+2H"	56.04448
"1515481"	350.03209	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+IsoProp+H"	61.06479
"418446"	319.943488	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+Na+K"	61.952376
"775068"	464.427138	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+Na+K"	61.952376
"1669213"	175.459838	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Na+K"	61.952376
"260106"	641.950368	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+ACN+Na"	64.015768
"1236461"	352.983068	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+ACN+Na"	64.015768
"1720608"	353.006593	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+NH4+HCOOH"	64.039293
"1185962"	119.311651333333	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+3Na"	68.967654
"1656951"	357.961988	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Na+HCOOH"	68.994688
"164904"	654.85364	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+2K-H"	76.91904
"605558"	943.82094	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+2K-H"	76.91904
"1088978"	365.88634	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2K-H"	76.91904
"142636"	327.930458	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"2M+2K"	77.926316
"587543"	472.414108	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"3M+2K"	77.926316
"1075337"	183.446808	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2K"	77.926316
"1107453"	367.900892	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2K+H"	78.933592
"1339461"	367.988507	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+DMSO+H"	79.021207
"1011269"	372.027676	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2ACN+H"	83.060376
"1527211"	373.021308	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+IsoProp+Na+H"	84.054008
"990135"	186.517476	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+2ACN+2H"	84.067652
"1591446"	373.935928	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+K+HCOOH"	84.968628
"1420388"	403.967438	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+H+CF3COOH"	115.000138
"1156147"	207.030751	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+3ACN+2H"	125.094202
"1704604"	420.993985	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+NH4+CF3COOH"	132.026685
"1638068"	425.94938	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+Na+CF3COOH"	136.98208
"1572985"	441.92332	"C03822"	"26-Dichlorophenolindophenol sodium salt;26-Dichloroindophenol sodium salt"	"C12H6Cl2NO2Na"	"288.9673"	"M+K+CF3COOH"	152.95602
"815024"	141.0426	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M"	0
"984183"	122.02421	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-H2O-H"	-19.01839
"68054"	93.021124	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M-3H"	-3.021828
"511988"	140.035324	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M-3H"	-3.021828
"887604"	46.006924	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-3H"	-3.021828
"6178"	140.035324	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M-2H"	-2.014552
"449020"	210.556624	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M-2H"	-2.014552
"825729"	69.514024	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-2H"	-2.014552
"87908"	281.077924	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M-H"	-1.007276
"522003"	422.120524	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M-H"	-1.007276
"904179"	140.035324	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-H"	-1.007276
"54180"	298.104471	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M-2H+NH4"	16.019271
"493740"	439.147071	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M-2H+NH4"	16.019271
"867289"	157.061871	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-2H+NH4"	16.019271
"37255"	303.059866	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M-2H+Na"	20.974666
"475726"	444.102466	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M-2H+Na"	20.974666
"855720"	162.017266	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-2H+Na"	20.974666
"1626345"	162.017266	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Na-2H"	20.974666
"102874"	158.023663	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M-H+Cl"	33.962126
"544620"	228.544963	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M-H+Cl"	33.962126
"930845"	87.502363	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-H+Cl"	33.962126
"271227"	317.054602	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+Cl"	34.969402
"662556"	458.097202	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+Cl"	34.969402
"1274712"	176.012002	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Cl"	34.969402
"24077"	319.033806	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M-2H+K"	36.948606
"466916"	460.076406	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M-2H+K"	36.948606
"841440"	177.991206	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-2H+K"	36.948606
"1566020"	177.991206	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+K-2H"	36.948606
"951717"	186.040794	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-H+HCOOH"	44.998194
"368841"	327.083401	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+HCOOH-H"	44.998201
"360377"	341.099051	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+Hac-H"	59.013851
"1504834"	200.056451	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Hac-H"	59.013851
"972989"	208.022751	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-H+NaCOOH"	66.980151
"119098"	176.012002	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+2Cl"	69.938804
"556471"	246.533302	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+2Cl"	69.938804
"1027456"	105.490702	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2Cl"	69.938804
"1255671"	219.961485	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Br"	78.918885
"1318970"	222.017472	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Cl+HCOOH"	80.974872
"1335012"	243.999429	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Cl+NaCOOH"	102.956829
"923519"	254.028186	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M-H+CF3COOH"	112.985586
"1302779"	290.004864	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Cl+CF3COOH"	148.962264
"1380211"	106.029924	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H-2H2O"	-35.012676
"1396978"	124.0399	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H-H2O"	-17.0027
"295935"	283.092476	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+H"	1.007276
"689813"	424.135076	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+H"	1.007276
"1366893"	142.049876	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H"	1.007276
"140503"	142.049876	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+2H"	2.014552
"580675"	212.571176	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+2H"	2.014552
"1046676"	71.528576	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2H"	2.014552
"214578"	95.035676	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+3H"	3.021828
"654138"	142.049876	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+3H"	3.021828
"1174452"	48.021476	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+3H"	3.021828
"439065"	300.119023	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+NH4"	18.033823
"797998"	441.161623	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+NH4"	18.033823
"1695419"	159.076423	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+NH4"	18.033823
"344426"	150.5631495	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+H+NH4"	19.041099
"736847"	221.0844495	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+H+NH4"	19.041099
"1485202"	80.0418495	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H+NH4"	19.041099
"398410"	305.074418	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+Na"	22.989218
"763780"	446.117018	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+Na"	22.989218
"1609690"	164.031818	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Na"	22.989218
"319727"	153.040847	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+H+Na"	23.996494
"715430"	223.562147	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+H+Na"	23.996494
"1470342"	82.519547	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H+Na"	23.996494
"1062498"	55.34879	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2H+Na"	25.00377
"1267457"	174.076086	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+CH3OH+H"	33.033486
"382752"	321.048358	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+K"	38.963158
"743749"	462.090958	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+K"	38.963158
"1552362"	180.005758	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+K"	38.963158
"309538"	161.027817	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+H+K"	39.970434
"703055"	231.549117	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+H+K"	39.970434
"1456875"	90.506517	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H+K"	39.970434
"247665"	324.119026	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+ACN+H"	42.033826
"1224876"	183.076426	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+ACN+H"	42.033826
"1208635"	92.041851	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+ACN+2H"	43.041102
"201141"	327.05636	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+2Na-H"	44.97116
"642526"	468.09896	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+2Na-H"	44.97116
"1144934"	186.01376	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2Na-H"	44.97116
"185673"	164.031818	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+2Na"	45.978436
"625232"	234.553118	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+2Na"	45.978436
"1128747"	93.510518	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2Na"	45.978436
"1413533"	62.676104	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H+2Na"	46.985712
"1445087"	188.055346	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H+HCOOH"	47.012746
"232996"	169.06484	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+3H2O+2H"	56.04448
"1521786"	202.10739	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+IsoProp+H"	61.06479
"417463"	172.018788	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+Na+K"	61.952376
"779552"	242.540088	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+Na+K"	61.952376
"1672601"	101.497488	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Na+K"	61.952376
"260215"	346.100968	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+ACN+Na"	64.015768
"1236208"	205.058368	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+ACN+Na"	64.015768
"1726185"	205.081893	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+NH4+HCOOH"	64.039293
"1187166"	70.003418	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+3Na"	68.967654
"1659244"	210.037288	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Na+HCOOH"	68.994688
"165015"	359.00424	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+2K-H"	76.91904
"602022"	500.04684	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+2K-H"	76.91904
"1091273"	217.96164	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2K-H"	76.91904
"150278"	180.005758	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"2M+2K"	77.926316
"588747"	250.527058	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"3M+2K"	77.926316
"1071071"	109.484458	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2K"	77.926316
"1103548"	219.976192	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2K+H"	78.933592
"1340664"	220.063807	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+DMSO+H"	79.021207
"1007248"	224.102976	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2ACN+H"	83.060376
"1529511"	225.096608	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+IsoProp+Na+H"	84.054008
"991948"	112.555126	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+2ACN+2H"	84.067652
"1592654"	226.011228	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+K+HCOOH"	84.968628
"1423782"	256.042738	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+H+CF3COOH"	115.000138
"1154070"	133.068401	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+3ACN+2H"	125.094202
"1701433"	273.069285	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+NH4+CF3COOH"	132.026685
"1638179"	278.02468	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+Na+CF3COOH"	136.98208
"1581485"	293.99862	"C03824"	"2-Aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde"	"C6H7NO3"	"141.0426"	"M+K+CF3COOH"	152.95602
"811854"	148.0372	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M"	0
"984293"	129.01881	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"71444"	97.6841906666667	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"515378"	147.029924	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"887714"	48.3384573333333	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"6289"	147.029924	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"453870"	221.048524	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"825839"	73.011324	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"88018"	295.067124	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"522113"	443.104324	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"904289"	147.029924	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"53197"	312.093671	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"490571"	460.130871	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"866670"	164.056471	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"36272"	317.049066	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"475836"	465.086266	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"860205"	169.011866	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1624269"	169.011866	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"102984"	165.018263	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"538168"	239.036863	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"932779"	90.999663	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"271337"	331.043802	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"662666"	479.081002	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1274703"	183.006602	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"22000"	333.023006	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"458280"	481.060206	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"840457"	184.985806	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1562850"	184.985806	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"944174"	193.035394	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"367858"	341.072601	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"360487"	355.088251	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1504944"	207.051051	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"973219"	215.017351	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"119208"	183.006602	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"555487"	257.025202	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1028659"	108.988002	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1255176"	226.956085	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1317988"	229.012072	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1330384"	250.994029	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"926180"	261.022786	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1301430"	296.999464	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1379228"	113.024524	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1397210"	131.0345	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"296045"	297.081676	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"688469"	445.118876	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1366275"	149.044476	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"140858"	149.044476	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"579935"	223.063076	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1046786"	75.025876	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"215781"	99.6987426666667	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"653155"	149.044476	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1174562"	50.3530093333333	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"438689"	314.108223	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"798473"	462.145423	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1694435"	166.071023	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"343442"	157.5577495	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"735864"	231.5763495	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1483122"	83.5391495	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"399248"	319.063618	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"761703"	467.100818	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1607247"	171.026418	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"318014"	160.035447	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"711166"	234.054047	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1468265"	86.016847	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1061514"	57.6803233333333	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1267567"	181.070686	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"383956"	335.037558	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"743858"	483.074758	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1552472"	187.000358	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"310743"	168.022417	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"699884"	242.041017	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1459173"	94.003817	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"249964"	338.108226	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1224131"	190.071026	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1209609"	95.539151	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"203074"	341.04556	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"644102"	489.08276	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1144681"	193.00836	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"184690"	171.026418	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"622064"	245.045018	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1127764"	97.007818	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1408010"	65.0076373333333	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1445471"	195.049946	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"234565"	176.05944	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1521896"	209.10199	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"416480"	179.013388	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"779664"	253.031988	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1672709"	104.994788	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"261418"	360.090168	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1233033"	212.052968	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1720828"	212.076493	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1182904"	72.3349513333333	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1657169"	217.031888	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"164031"	372.99344	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"601768"	521.03064	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1091383"	224.95624	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"150388"	187.000358	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"587763"	261.018958	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1071181"	112.981758	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1102201"	226.970792	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1338586"	227.058407	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1008210"	231.097576	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1529621"	232.091208	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"992787"	116.052426	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1592767"	233.005828	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1421705"	263.037338	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1153087"	136.565701	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1698992"	280.063885	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1638289"	285.01928	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1581595"	300.99322	"C03826"	"2-Dehydro-3-deoxy-D-xylonate;2-Dehydro-3-deoxy-D-arabinonate;2-Dehydro-3-deoxy-D-pentonate;(4S)-45-Dihydroxy-2-oxopentanoate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"813057"	162.0528	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M"	0
"984403"	143.03441	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"74834"	107.027924	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"517675"	161.045524	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"890008"	53.010324	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"8587"	161.045524	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"452522"	242.071924	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"825949"	80.019124	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"90315"	323.098324	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"524412"	485.151124	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"903307"	161.045524	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"57682"	340.124871	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"496149"	502.177671	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"870669"	178.072071	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"36382"	345.080266	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"481782"	507.133066	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"852295"	183.027466	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1624379"	183.027466	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"97627"	179.033863	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"541559"	260.060263	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"929242"	98.007463	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"268894"	359.075002	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"668244"	521.127802	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1279555"	197.022202	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"23205"	361.054206	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"458394"	523.107006	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"838382"	199.001406	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1565148"	199.001406	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"950845"	207.050994	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"371248"	369.103801	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"360596"	383.119451	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1505054"	221.066651	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"972967"	229.032951	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"119318"	197.022202	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"556690"	278.048602	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1029862"	115.995802	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1252735"	240.971685	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1318462"	243.027672	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1333044"	265.009629	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"925922"	275.038386	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1301905"	311.015064	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1377516"	127.040124	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1396833"	145.0501	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"296884"	325.112876	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"689915"	487.165676	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1366383"	163.060076	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"140482"	163.060076	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"580291"	244.086476	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1047989"	82.033676	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"215891"	109.042476	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"653263"	163.060076	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1174672"	55.024876	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"431379"	342.139423	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"799678"	504.192223	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1695517"	180.086623	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"342093"	171.5733495	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"736826"	252.5997495	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1487605"	90.5469495	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"399724"	347.094818	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"762905"	509.147618	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1607359"	185.042018	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"318854"	174.051047	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"711640"	255.077447	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1465098"	93.024647	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1059439"	62.35219	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1266585"	195.086286	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"385161"	363.068758	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"747249"	525.121558	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1553676"	201.015958	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"313163"	182.038017	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"702179"	263.064417	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1453815"	101.011617	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"250197"	366.139426	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1224122"	204.086626	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1209795"	102.546951	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"200996"	369.07676	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"643601"	531.12956	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1146621"	207.02396	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"187969"	185.042018	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"622175"	266.068418	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1122406"	104.015618	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1408120"	69.679504	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1443528"	209.065546	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"233581"	190.07504	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1523834"	223.11759	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"417683"	193.028988	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"780867"	274.055388	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1676100"	112.002588	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"263717"	388.121368	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1237885"	226.068568	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1722033"	226.092093	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1185200"	77.006818	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1655092"	231.047488	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"161955"	401.02464	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"599694"	563.07744	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1090402"	238.97184	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"149407"	201.015958	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"588968"	282.042358	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1072387"	119.989558	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1105592"	240.986392	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1341977"	241.074007	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1008320"	245.113176	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1529731"	246.106808	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"991439"	123.060226	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1593966"	247.021428	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1417441"	277.052938	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1152104"	143.573501	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1699467"	294.079485	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1638399"	299.03488	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1581705"	315.00882	"C03827"	"2-Dehydro-3-deoxy-L-fuconate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"812073"	242.0668	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M"	0
"982325"	223.04841	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-H2O-H"	-19.01839
"68381"	160.370590666667	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M-3H"	-3.021828
"516693"	241.059524	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M-3H"	-3.021828
"890118"	79.6816573333333	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-3H"	-3.021828
"9790"	241.059524	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M-2H"	-2.014552
"453725"	362.092924	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M-2H"	-2.014552
"826059"	120.026124	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-2H"	-2.014552
"84957"	483.126324	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M-H"	-1.007276
"523428"	725.193124	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M-H"	-1.007276
"903417"	241.059524	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-H"	-1.007276
"55605"	500.152871	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M-2H+NH4"	16.019271
"496259"	742.219671	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M-2H+NH4"	16.019271
"867863"	258.086071	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-2H+NH4"	16.019271
"33575"	505.108266	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M-2H+Na"	20.974666
"480435"	747.175066	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M-2H+Na"	20.974666
"851312"	263.041466	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-2H+Na"	20.974666
"1624489"	263.041466	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Na-2H"	20.974666
"97737"	259.047863	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M-H+Cl"	33.962126
"541669"	380.081263	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M-H+Cl"	33.962126
"928622"	138.014463	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-H+Cl"	33.962126
"269370"	519.103002	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+Cl"	34.969402
"662887"	761.169802	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+Cl"	34.969402
"1276385"	277.036202	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Cl"	34.969402
"23315"	521.082206	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M-2H+K"	36.948606
"465064"	763.149006	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M-2H+K"	36.948606
"837399"	279.015406	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-2H+K"	36.948606
"1565258"	279.015406	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+K-2H"	36.948606
"947675"	287.064994	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-H+HCOOH"	44.998194
"369171"	529.131801	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+HCOOH-H"	44.998201
"360342"	543.147451	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+Hac-H"	59.013851
"1505164"	301.080651	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Hac-H"	59.013851
"973074"	309.046951	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-H+NaCOOH"	66.980151
"119428"	277.036202	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+2Cl"	69.938804
"556800"	398.069602	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+2Cl"	69.938804
"1028879"	156.002802	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2Cl"	69.938804
"1252844"	320.985685	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Br"	78.918885
"1317478"	323.041672	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Cl+HCOOH"	80.974872
"1334976"	345.023629	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Cl+NaCOOH"	102.956829
"926275"	355.052386	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M-H+CF3COOH"	112.985586
"1302015"	391.029064	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Cl+CF3COOH"	148.962264
"1380905"	207.054124	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H-2H2O"	-35.012676
"1397551"	225.0641	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H-H2O"	-17.0027
"297722"	485.140876	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+H"	1.007276
"689052"	727.207676	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+H"	1.007276
"1366734"	243.074076	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H"	1.007276
"140594"	243.074076	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+2H"	2.014552
"581010"	364.107476	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+2H"	2.014552
"1049192"	122.040676	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2H"	2.014552
"213814"	162.385142666667	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+3H"	3.021828
"653373"	243.074076	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+3H"	3.021828
"1173688"	81.6962093333333	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+3H"	3.021828
"430762"	502.167423	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+NH4"	18.033823
"800397"	744.234223	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+NH4"	18.033823
"1696112"	260.100623	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+NH4"	18.033823
"340378"	251.5873495	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+H+NH4"	19.041099
"737664"	372.6207495	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+H+NH4"	19.041099
"1485528"	130.5539495	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H+NH4"	19.041099
"400929"	507.122818	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+Na"	22.989218
"763016"	749.189618	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+Na"	22.989218
"1606742"	265.056018	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Na"	22.989218
"318966"	254.065047	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+H+Na"	23.996494
"711752"	375.098447	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+H+Na"	23.996494
"1467397"	133.031647	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H+Na"	23.996494
"1060642"	89.0235233333333	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2H+Na"	25.00377
"1266695"	275.100286	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+CH3OH+H"	33.033486
"388551"	523.096758	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+K"	38.963158
"747359"	765.163558	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+K"	38.963158
"1553786"	281.029958	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+K"	38.963158
"310964"	262.052017	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+H+K"	39.970434
"700103"	383.085417	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+H+K"	39.970434
"1459759"	141.018617	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H+K"	39.970434
"250549"	526.167426	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+ACN+H"	42.033826
"1223987"	284.100626	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+ACN+H"	42.033826
"1208968"	142.553951	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+ACN+2H"	43.041102
"201349"	529.10476	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+2Na-H"	44.97116
"640668"	771.17156	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+2Na-H"	44.97116
"1144174"	287.03796	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2Na-H"	44.97116
"187715"	265.056018	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+2Na"	45.978436
"623014"	386.089418	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+2Na"	45.978436
"1125796"	144.022618	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2Na"	45.978436
"1411146"	96.3508373333333	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H+2Na"	46.985712
"1444731"	289.079546	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H+HCOOH"	47.012746
"231138"	270.08904	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+3H2O+2H"	56.04448
"1523090"	303.13159	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+H"	61.06479
"423140"	273.042988	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+Na+K"	61.952376
"777695"	394.076388	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+Na+K"	61.952376
"1672930"	152.009588	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Na+K"	61.952376
"259452"	548.149368	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+ACN+Na"	64.015768
"1237629"	306.082568	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+ACN+Na"	64.015768
"1724328"	306.106093	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+NH4+HCOOH"	64.039293
"1184219"	103.678151333333	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+3Na"	68.967654
"1655204"	311.061488	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Na+HCOOH"	68.994688
"162066"	561.05264	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+2K-H"	76.91904
"602720"	803.11944	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+2K-H"	76.91904
"1089419"	318.98584	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2K-H"	76.91904
"150610"	281.029958	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"2M+2K"	77.926316
"587985"	402.063358	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"3M+2K"	77.926316
"1072497"	159.996558	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2K"	77.926316
"1105702"	321.000392	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2K+H"	78.933592
"1340994"	321.088007	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+DMSO+H"	79.021207
"1010616"	325.127176	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2ACN+H"	83.060376
"1529841"	326.120808	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+Na+H"	84.054008
"992279"	163.067226	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+2ACN+2H"	84.067652
"1594076"	327.035428	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+K+HCOOH"	84.968628
"1418643"	357.066938	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+H+CF3COOH"	115.000138
"1152214"	183.580501	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+3ACN+2H"	125.094202
"1699577"	374.093485	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+NH4+CF3COOH"	132.026685
"1636685"	379.04888	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+Na+CF3COOH"	136.98208
"1581815"	395.02282	"C03828"	"2-Deoxystreptamine phospahte"	"C6H15N2O6P"	"242.0668"	"M+K+CF3COOH"	152.95602
"812183"	180.0569	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M"	0
"982435"	161.03851	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-H2O-H"	-19.01839
"68491"	119.030657333333	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M-3H"	-3.021828
"515709"	179.049624	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M-3H"	-3.021828
"890228"	59.0116906666667	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-3H"	-3.021828
"9899"	179.049624	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M-2H"	-2.014552
"447271"	269.078074	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M-2H"	-2.014552
"826169"	89.021174	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-2H"	-2.014552
"82880"	359.106524	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M-H"	-1.007276
"523173"	539.163424	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M-H"	-1.007276
"903527"	179.049624	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-H"	-1.007276
"55715"	376.133071	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M-2H+NH4"	16.019271
"496369"	556.189971	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M-2H+NH4"	16.019271
"868337"	196.076171	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-2H+NH4"	16.019271
"34778"	381.088466	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M-2H+Na"	20.974666
"477260"	561.145366	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M-2H+Na"	20.974666
"851058"	201.031566	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-2H+Na"	20.974666
"1624599"	201.031566	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Na-2H"	20.974666
"97847"	197.037963	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M-H+Cl"	33.962126
"541779"	287.066413	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M-H+Cl"	33.962126
"929826"	107.009513	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-H+Cl"	33.962126
"271666"	395.083202	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+Cl"	34.969402
"661173"	575.140102	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+Cl"	34.969402
"1276495"	215.026302	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Cl"	34.969402
"23425"	397.062406	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M-2H+K"	36.948606
"461894"	577.119306	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M-2H+K"	36.948606
"837508"	217.005506	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-2H+K"	36.948606
"1563182"	217.005506	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+K-2H"	36.948606
"947785"	225.055094	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-H+HCOOH"	44.998194
"367093"	405.112001	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+HCOOH-H"	44.998201
"356808"	419.127651	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+Hac-H"	59.013851
"1503087"	239.070751	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Hac-H"	59.013851
"972454"	247.037051	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-H+NaCOOH"	66.980151
"119538"	215.026302	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+2Cl"	69.938804
"558003"	305.054752	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+2Cl"	69.938804
"1027895"	124.997852	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2Cl"	69.938804
"1255140"	258.975785	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Br"	78.918885
"1317586"	261.031772	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Cl+HCOOH"	80.974872
"1334964"	283.013729	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Cl+NaCOOH"	102.956829
"926141"	293.042486	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M-H+CF3COOH"	112.985586
"1302124"	329.019164	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Cl+CF3COOH"	148.962264
"1381986"	145.044224	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H-2H2O"	-35.012676
"1396323"	163.0542	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H-H2O"	-17.0027
"298357"	361.121076	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+H"	1.007276
"687338"	541.177976	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+H"	1.007276
"1364780"	181.064176	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H"	1.007276
"141344"	181.064176	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+2H"	2.014552
"581239"	271.092626	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+2H"	2.014552
"1051491"	91.035726	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2H"	2.014552
"219759"	121.045209333333	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+3H"	3.021828
"652390"	181.064176	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+3H"	3.021828
"1173069"	61.0262426666667	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+3H"	3.021828
"430508"	378.147623	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+NH4"	18.033823
"800624"	558.204523	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+NH4"	18.033823
"1696669"	198.090723	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+NH4"	18.033823
"341582"	189.5774495	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+H+NH4"	19.041099
"736921"	279.6058995	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+H+NH4"	19.041099
"1484546"	99.5489995	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H+NH4"	19.041099
"398853"	383.103018	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+Na"	22.989218
"762033"	563.159918	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+Na"	22.989218
"1605759"	203.046118	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Na"	22.989218
"319076"	192.055147	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+H+Na"	23.996494
"711498"	282.083597	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+H+Na"	23.996494
"1468600"	102.026697	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H+Na"	23.996494
"1061845"	68.3535566666667	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2H+Na"	25.00377
"1267898"	213.090386	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+CH3OH+H"	33.033486
"388661"	399.076958	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+K"	38.963158
"748562"	579.133858	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+K"	38.963158
"1553896"	219.020058	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+K"	38.963158
"311074"	200.042117	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+H+K"	39.970434
"700212"	290.070567	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+H+K"	39.970434
"1459870"	110.013667	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H+K"	39.970434
"250295"	402.147626	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+ACN+H"	42.033826
"1224708"	222.090726	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+ACN+H"	42.033826
"1209079"	111.549001	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+ACN+2H"	43.041102
"202308"	405.08496	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+2Na-H"	44.97116
"640411"	585.14186	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+2Na-H"	44.97116
"1145619"	225.02806	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2Na-H"	44.97116
"187212"	203.046118	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+2Na"	45.978436
"621301"	293.074568	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+2Na"	45.978436
"1123715"	113.017668	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2Na"	45.978436
"1410527"	75.6808706666667	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H+2Na"	46.985712
"1444476"	227.069646	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H+HCOOH"	47.012746
"232341"	208.07914	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+3H2O+2H"	56.04448
"1522835"	241.12169	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+IsoProp+H"	61.06479
"423737"	211.033088	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+Na+K"	61.952376
"776711"	301.061538	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+Na+K"	61.952376
"1673040"	121.004638	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Na+K"	61.952376
"260656"	424.129568	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+ACN+Na"	64.015768
"1237739"	244.072668	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+ACN+Na"	64.015768
"1724803"	244.096193	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+NH4+HCOOH"	64.039293
"1184329"	83.0081846666667	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+3Na"	68.967654
"1655315"	249.051588	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Na+HCOOH"	68.994688
"164361"	437.03284	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+2K-H"	76.91904
"599914"	617.08974	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+2K-H"	76.91904
"1089529"	256.97594	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2K-H"	76.91904
"148534"	219.020058	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"2M+2K"	77.926316
"589188"	309.048508	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"3M+2K"	77.926316
"1072607"	128.991608	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2K"	77.926316
"1105812"	258.990492	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2K+H"	78.933592
"1344383"	259.078107	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+DMSO+H"	79.021207
"1008540"	263.117276	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2ACN+H"	83.060376
"1529951"	264.110908	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+IsoProp+Na+H"	84.054008
"993118"	132.062276	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+2ACN+2H"	84.067652
"1594186"	265.025528	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+K+HCOOH"	84.968628
"1419846"	295.057038	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+H+CF3COOH"	115.000138
"1151231"	152.575551	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+3ACN+2H"	125.094202
"1699687"	312.083585	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+NH4+CF3COOH"	132.026685
"1636795"	317.03898	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+Na+CF3COOH"	136.98208
"1581925"	333.01292	"C03829"	"2S5S-Methionine sulfoximine;(R-(RS))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide"	"C5H12N2O3S"	"180.0569"	"M+K+CF3COOH"	152.95602
"812293"	192.0423	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M"	0
"982545"	173.02391	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"68601"	127.020924	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"518050"	191.035024	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"893618"	63.006824	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"10010"	191.035024	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"448474"	287.056174	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"825186"	95.013874	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"81897"	383.077324	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"526929"	575.119624	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"899626"	191.035024	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"55825"	400.103871	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"491376"	592.146171	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"866381"	208.061571	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"35373"	405.059266	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"477006"	597.101566	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"854084"	213.016966	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1621429"	213.016966	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"97955"	209.023363	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"536424"	305.044513	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"931031"	113.002213	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"272870"	419.054002	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"662133"	611.096302	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1277697"	227.011702	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"19160"	421.033206	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"459817"	613.075506	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"837618"	228.990906	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1558189"	228.990906	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"946072"	237.040494	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"365380"	429.082801	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"356189"	443.098451	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1502104"	251.056151	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"969648"	259.022451	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"118554"	227.011702	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"558113"	323.032852	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1024725"	130.990552	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1254153"	270.961185	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1316601"	273.017172	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1333002"	294.999129	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"926248"	305.027886	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1301867"	341.004564	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1380029"	157.029624	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1397525"	175.0396	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"297210"	385.091876	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"687448"	577.134176	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1364890"	193.049576	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"140692"	193.049576	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"580253"	289.070726	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1050144"	97.028426	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"216223"	129.035476	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"652500"	193.049576	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1172815"	65.021376	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"430617"	402.118423	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"798912"	594.160723	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1692323"	210.076123	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"339506"	201.5628495	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"731929"	297.5839995	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1482467"	105.5416995	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"394587"	407.073818	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"756674"	599.116118	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1603680"	215.031518	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"315298"	204.040547	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"708690"	300.061697	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1463242"	108.019397	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1059768"	72.34869	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1266914"	225.075786	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"386583"	423.047758	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"746485"	615.090058	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1553642"	231.005458	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"310818"	212.027517	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"698137"	308.048667	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1456333"	116.006367	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"249554"	426.118426	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1224572"	234.076126	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1206996"	117.541701	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"201688"	429.05576	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"638334"	621.09806	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1139651"	237.01346	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"185863"	215.031518	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"622504"	311.052668	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1122732"	119.010368	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1410637"	79.676004	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1445315"	239.055046	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"234638"	220.06454	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1523431"	253.10709	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"423362"	223.018488	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"782290"	319.039638	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1672060"	126.997338	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"264047"	448.100368	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1238579"	256.058068	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1724184"	256.081593	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1184439"	87.003318	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1655425"	261.036988	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"163378"	461.00364	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"599660"	653.04594	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1088545"	268.96134	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"148643"	231.005458	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"588205"	327.026608	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1072717"	134.984308	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1104829"	270.975892	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1342306"	271.063507	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1008650"	275.102676	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1528968"	276.096308	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"992135"	138.054976	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1593203"	277.010928	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1421049"	307.042438	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1152434"	158.568251	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1699797"	324.068985	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1636541"	329.02438	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1582035"	344.99832	"C03830"	"34-Dehydro-6-hydroxymellein"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"812403"	649.7584	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M"	0
"982655"	630.74001	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-H2O-H"	-19.01839
"71990"	432.164990666667	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M-3H"	-3.021828
"515924"	648.751124	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M-3H"	-3.021828
"892634"	215.578857333333	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-3H"	-3.021828
"11213"	648.751124	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M-2H"	-2.014552
"447490"	973.630324	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M-2H"	-2.014552
"826389"	323.871924	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-2H"	-2.014552
"85287"	1298.509524	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M-H"	-1.007276
"525946"	1948.267924	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M-H"	-1.007276
"899372"	648.751124	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-H"	-1.007276
"54842"	1315.536071	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M-2H+NH4"	16.019271
"492214"	1965.294471	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M-2H+NH4"	16.019271
"868193"	665.777671	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-2H+NH4"	16.019271
"34635"	1320.491466	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M-2H+Na"	20.974666
"476752"	1970.249866	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M-2H+Na"	20.974666
"857476"	670.733066	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-2H+Na"	20.974666
"1627008"	670.733066	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Na-2H"	20.974666
"102442"	666.739463	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M-H+Cl"	33.962126
"543096"	991.618663	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M-H+Cl"	33.962126
"936610"	341.860263	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-H+Cl"	33.962126
"272980"	1334.486202	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+Cl"	34.969402
"665402"	1984.244602	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+Cl"	34.969402
"1279994"	684.727802	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Cl"	34.969402
"20364"	1336.465406	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M-2H+K"	36.948606
"459927"	1986.223806	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M-2H+K"	36.948606
"838822"	686.707006	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-2H+K"	36.948606
"1559028"	686.707006	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+K-2H"	36.948606
"949098"	694.756594	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-H+HCOOH"	44.998194
"371688"	1344.515001	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+HCOOH-H"	44.998201
"358486"	1358.530651	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+Hac-H"	59.013851
"1504401"	708.772251	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Hac-H"	59.013851
"970851"	716.738551	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-H+NaCOOH"	66.980151
"120851"	684.727802	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+2Cl"	69.938804
"558223"	1009.607002	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+2Cl"	69.938804
"1027022"	359.848602	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2Cl"	69.938804
"1255356"	728.677285	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Br"	78.918885
"1316711"	730.733272	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Cl+HCOOH"	80.974872
"1335520"	752.715229	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Cl+NaCOOH"	102.956829
"926360"	762.743986	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M-H+CF3COOH"	112.985586
"1303922"	798.720664	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Cl+CF3COOH"	148.962264
"1382738"	614.745724	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H-2H2O"	-35.012676
"1397276"	632.7557	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H-H2O"	-17.0027
"298351"	1300.524076	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+H"	1.007276
"688652"	1950.282476	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+H"	1.007276
"1366741"	650.765676	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H"	1.007276
"141390"	650.765676	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+2H"	2.014552
"581174"	975.644876	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+2H"	2.014552
"1050618"	325.886476	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2H"	2.014552
"219615"	434.179542666667	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+3H"	3.021828
"658807"	650.765676	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+3H"	3.021828
"1177544"	217.593409333333	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+3H"	3.021828
"436196"	1317.550623	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+NH4"	18.033823
"799874"	1967.309023	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+NH4"	18.033823
"1694622"	667.792223	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+NH4"	18.033823
"343991"	659.2789495	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+H+NH4"	19.041099
"736411"	984.1581495	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+H+NH4"	19.041099
"1483670"	334.3997495	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H+NH4"	19.041099
"399070"	1322.506018	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+Na"	22.989218
"758971"	1972.264418	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+Na"	22.989218
"1604884"	672.747618	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Na"	22.989218
"318202"	661.756647	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+H+Na"	23.996494
"708438"	986.635847	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+H+Na"	23.996494
"1466631"	336.877447	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H+Na"	23.996494
"1057691"	224.920723333333	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2H+Na"	25.00377
"1265929"	682.791886	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+CH3OH+H"	33.033486
"385600"	1338.479958	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+K"	38.963158
"746594"	1988.238358	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+K"	38.963158
"1555172"	688.721558	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+K"	38.963158
"310928"	669.743617	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+H+K"	39.970434
"704442"	994.622817	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+H+K"	39.970434
"1459359"	344.864417	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H+K"	39.970434
"249422"	1341.550626	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+ACN+H"	42.033826
"1221762"	691.792226	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+ACN+H"	42.033826
"1207106"	346.399751	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+ACN+2H"	43.041102
"201434"	1344.48796	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+2Na-H"	44.97116
"641723"	1994.24636	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+2Na-H"	44.97116
"1143042"	694.72956	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2Na-H"	44.97116
"188478"	672.747618	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+2Na"	45.978436
"625531"	997.626818	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+2Na"	45.978436
"1125027"	347.868418	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2Na"	45.978436
"1407463"	232.248037333333	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H+2Na"	46.985712
"1439579"	696.771146	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H+HCOOH"	47.012746
"234744"	677.78064	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+3H2O+2H"	56.04448
"1523989"	710.82319	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+IsoProp+H"	61.06479
"424160"	680.734588	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+Na+K"	61.952376
"779120"	1005.613788	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+Na+K"	61.952376
"1673624"	355.855388	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Na+K"	61.952376
"261969"	1363.532568	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+ACN+Na"	64.015768
"1236867"	713.774168	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+ACN+Na"	64.015768
"1722472"	713.797693	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+NH4+HCOOH"	64.039293
"1185642"	239.575351333333	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+3Na"	68.967654
"1653348"	718.753088	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Na+HCOOH"	68.994688
"161663"	1376.43584	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+2K-H"	76.91904
"601953"	2026.19424	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+2K-H"	76.91904
"1089747"	726.67744	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2K-H"	76.91904
"148753"	688.721558	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"2M+2K"	77.926316
"588316"	1013.600758	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"3M+2K"	77.926316
"1076105"	363.842358	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2K"	77.926316
"1103845"	728.691992	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2K+H"	78.933592
"1336946"	728.779607	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+DMSO+H"	79.021207
"1007055"	732.818776	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2ACN+H"	83.060376
"1524694"	733.812408	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+IsoProp+Na+H"	84.054008
"992245"	366.913026	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+2ACN+2H"	84.067652
"1593314"	734.727028	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+K+HCOOH"	84.968628
"1421160"	764.758538	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+H+CF3COOH"	115.000138
"1153637"	387.426301	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+3ACN+2H"	125.094202
"1701000"	781.785085	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+NH4+CF3COOH"	132.026685
"1635556"	786.74048	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+Na+CF3COOH"	136.98208
"1578865"	802.71442	"C03832"	"353-Triiodothyropyruvate;3-4-(4-Hydroxy-3-iodophenoxy)-35-diiodophenyl-2-oxopropanoate"	"C15H9I3O5"	"649.7584"	"M+K+CF3COOH"	152.95602
"801377"	274.2297	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M"	0
"976204"	255.21131	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-H2O-H"	-19.01839
"68819"	181.812524	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M-3H"	-3.021828
"514940"	273.222424	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M-3H"	-3.021828
"886186"	90.402624	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-3H"	-3.021828
"1235"	273.222424	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M-2H"	-2.014552
"446510"	410.337274	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M-2H"	-2.014552
"817384"	136.107574	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-2H"	-2.014552
"88684"	547.452124	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M-H"	-1.007276
"521682"	821.681824	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M-H"	-1.007276
"896929"	273.222424	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-H"	-1.007276
"48386"	564.478671	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M-2H+NH4"	16.019271
"488678"	838.708371	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M-2H+NH4"	16.019271
"865386"	290.248971	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-2H+NH4"	16.019271
"35842"	569.434066	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M-2H+Na"	20.974666
"478691"	843.663766	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M-2H+Na"	20.974666
"852483"	295.204366	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-2H+Na"	20.974666
"1623838"	295.204366	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Na-2H"	20.974666
"100365"	291.210763	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M-H+Cl"	33.962126
"542113"	428.325613	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M-H+Cl"	33.962126
"935627"	154.095913	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-H+Cl"	33.962126
"271268"	583.428802	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+Cl"	34.969402
"664054"	857.658502	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+Cl"	34.969402
"1275364"	309.199102	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Cl"	34.969402
"20475"	585.408006	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M-2H+K"	36.948606
"464408"	859.637706	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M-2H+K"	36.948606
"845492"	311.178306	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-2H+K"	36.948606
"1562784"	311.178306	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+K-2H"	36.948606
"956135"	319.227894	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-H+HCOOH"	44.998194
"374715"	593.457601	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+HCOOH-H"	44.998201
"359326"	607.473251	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+Hac-H"	59.013851
"1501596"	333.243551	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Hac-H"	59.013851
"965494"	341.209851	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-H+NaCOOH"	66.980151
"120961"	309.199102	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+2Cl"	69.938804
"558336"	446.313952	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+2Cl"	69.938804
"1028235"	172.084252	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2Cl"	69.938804
"1252187"	353.148585	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Br"	78.918885
"1315728"	355.204572	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Cl+HCOOH"	80.974872
"1333222"	377.186529	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Cl+NaCOOH"	102.956829
"922095"	387.215286	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M-H+CF3COOH"	112.985586
"1299896"	423.191964	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Cl+CF3COOH"	148.962264
"1380245"	239.217024	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H-2H2O"	-35.012676
"1395555"	257.227	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H-H2O"	-17.0027
"297429"	549.466676	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+H"	1.007276
"691188"	823.696376	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+H"	1.007276
"1366201"	275.236976	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H"	1.007276
"140549"	275.236976	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+2H"	2.014552
"581151"	412.351826	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+2H"	2.014552
"1052188"	138.122126	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2H"	2.014552
"219361"	183.827076	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+3H"	3.021828
"654915"	275.236976	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+3H"	3.021828
"1175953"	92.417176	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+3H"	3.021828
"433033"	566.493223	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+NH4"	18.033823
"797308"	840.722923	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+NH4"	18.033823
"1695461"	292.263523	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+NH4"	18.033823
"343378"	283.7502495	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+H+NH4"	19.041099
"733242"	420.8650995	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+H+NH4"	19.041099
"1483782"	146.6353995	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H+NH4"	19.041099
"399184"	571.448618	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+Na"	22.989218
"754830"	845.678318	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+Na"	22.989218
"1607182"	297.218918	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Na"	22.989218
"318311"	286.227947	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+H+Na"	23.996494
"708549"	423.342797	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+H+Na"	23.996494
"1463098"	149.113097	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H+Na"	23.996494
"1055614"	99.74449	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2H+Na"	25.00377
"1263854"	307.263186	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+CH3OH+H"	33.033486
"386803"	587.422558	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+K"	38.963158
"751809"	861.652258	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+K"	38.963158
"1549849"	313.192858	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+K"	38.963158
"308121"	294.214917	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+H+K"	39.970434
"703095"	431.329767	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+H+K"	39.970434
"1453269"	157.100067	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H+K"	39.970434
"247341"	590.493226	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+ACN+H"	42.033826
"1220777"	316.263526	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+ACN+H"	42.033826
"1206121"	158.635401	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+ACN+2H"	43.041102
"203371"	593.43056	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+2Na-H"	44.97116
"640379"	867.66026	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+2Na-H"	44.97116
"1139875"	319.20086	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2Na-H"	44.97116
"184623"	297.218918	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+2Na"	45.978436
"624911"	434.333768	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+2Na"	45.978436
"1121133"	160.104068	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2Na"	45.978436
"1402835"	107.071804	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H+2Na"	46.985712
"1437505"	321.242446	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H+HCOOH"	47.012746
"232669"	302.25194	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+3H2O+2H"	56.04448
"1521825"	335.29449	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+IsoProp+H"	61.06479
"418238"	305.205888	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+Na+K"	61.952376
"779231"	442.320738	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+Na+K"	61.952376
"1676656"	168.091038	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Na+K"	61.952376
"258800"	612.475168	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+ACN+Na"	64.015768
"1234786"	338.245468	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+ACN+Na"	64.015768
"1722217"	338.268993	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+NH4+HCOOH"	64.039293
"1184654"	114.399118	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+3Na"	68.967654
"1656734"	343.224388	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Na+HCOOH"	68.994688
"164690"	625.37844	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+2K-H"	76.91904
"602063"	899.60814	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+2K-H"	76.91904
"1090952"	351.14874	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2K-H"	76.91904
"147768"	313.192858	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"2M+2K"	77.926316
"587329"	450.307708	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"3M+2K"	77.926316
"1069893"	176.078008	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2K"	77.926316
"1100430"	353.163292	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2K+H"	78.933592
"1337178"	353.250907	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+DMSO+H"	79.021207
"1010333"	357.290076	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2ACN+H"	83.060376
"1535751"	358.283708	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+IsoProp+Na+H"	84.054008
"997829"	179.148676	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+2ACN+2H"	84.067652
"1593426"	359.198328	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+K+HCOOH"	84.968628
"1420178"	389.229838	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+H+CF3COOH"	115.000138
"1152655"	199.661951	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+3ACN+2H"	125.094202
"1701112"	406.256385	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+NH4+CF3COOH"	132.026685
"1638951"	411.21178	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+Na+CF3COOH"	136.98208
"1578976"	427.18572	"C03836"	"3beta-Hydroxy-delta5-steroid"	"C19H30O"	"274.2297"	"M+K+CF3COOH"	152.95602
"806061"	218.0579	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M"	0
"979594"	199.03951	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-H2O-H"	-19.01839
"74396"	144.364657333333	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M-3H"	-3.021828
"517608"	217.050624	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M-3H"	-3.021828
"883016"	71.6786906666667	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-3H"	-3.021828
"1589"	217.050624	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M-2H"	-2.014552
"445527"	326.079574	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M-2H"	-2.014552
"819315"	108.021674	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-2H"	-2.014552
"88794"	435.108524	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M-H"	-1.007276
"521063"	653.166424	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M-H"	-1.007276
"897769"	217.050624	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-H"	-1.007276
"52873"	452.135071	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M-2H+NH4"	16.019271
"488420"	670.192971	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M-2H+NH4"	16.019271
"865978"	234.077171	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-2H+NH4"	16.019271
"37047"	457.090466	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M-2H+Na"	20.974666
"480988"	675.148366	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M-2H+Na"	20.974666
"856603"	239.032566	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-2H+Na"	20.974666
"1627228"	239.032566	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Na-2H"	20.974666
"101569"	235.038963	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M-H+Cl"	33.962126
"542223"	344.067913	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M-H+Cl"	33.962126
"934644"	126.010013	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-H+Cl"	33.962126
"273201"	471.085202	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+Cl"	34.969402
"663436"	689.143102	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+Cl"	34.969402
"1274747"	253.027302	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Cl"	34.969402
"20585"	473.064406	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M-2H+K"	36.948606
"464518"	691.122306	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M-2H+K"	36.948606
"845237"	255.006506	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-2H+K"	36.948606
"1561436"	255.006506	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+K-2H"	36.948606
"955879"	263.056094	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-H+HCOOH"	44.998194
"374094"	481.114001	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+HCOOH-H"	44.998201
"357978"	495.129651	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+Hac-H"	59.013851
"1500248"	277.071751	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Hac-H"	59.013851
"965604"	285.038051	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-H+NaCOOH"	66.980151
"115604"	253.027302	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+2Cl"	69.938804
"560633"	362.056252	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+2Cl"	69.938804
"1028343"	143.998352	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2Cl"	69.938804
"1250110"	296.976785	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Br"	78.918885
"1312556"	299.032772	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Cl+HCOOH"	80.974872
"1330052"	321.014729	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Cl+NaCOOH"	102.956829
"923297"	331.043486	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M-H+CF3COOH"	112.985586
"1301097"	367.020164	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Cl+CF3COOH"	148.962264
"1379991"	183.045224	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H-2H2O"	-35.012676
"1397369"	201.0552	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H-H2O"	-17.0027
"297904"	437.123076	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+H"	1.007276
"686676"	655.180976	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+H"	1.007276
"1364121"	219.065176	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H"	1.007276
"139930"	219.065176	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+2H"	2.014552
"580464"	328.094126	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+2H"	2.014552
"1050476"	110.036226	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2H"	2.014552
"218621"	146.379209333333	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+3H"	3.021828
"657211"	219.065176	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+3H"	3.021828
"1176427"	73.6932426666667	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+3H"	3.021828
"436424"	454.149623	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+NH4"	18.033823
"798512"	672.207523	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+NH4"	18.033823
"1694842"	236.091723	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+NH4"	18.033823
"342029"	227.5784495	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+H+NH4"	19.041099
"734447"	336.6073995	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+H+NH4"	19.041099
"1483893"	118.5494995	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H+NH4"	19.041099
"401480"	459.105018	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+Na"	22.989218
"758100"	677.162918	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+Na"	22.989218
"1605106"	241.047118	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Na"	22.989218
"316600"	230.056147	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+H+Na"	23.996494
"708294"	339.085097	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+H+Na"	23.996494
"1463938"	121.027197	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H+Na"	23.996494
"1059006"	81.0205566666667	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2H+Na"	25.00377
"1263964"	251.091386	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+CH3OH+H"	33.033486
"384726"	475.078958	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+K"	38.963158
"749001"	693.136858	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+K"	38.963158
"1551053"	257.021058	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+K"	38.963158
"309324"	238.043117	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+H+K"	39.970434
"703569"	347.072067	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+H+K"	39.970434
"1455566"	129.014167	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H+K"	39.970434
"246722"	478.149626	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+ACN+H"	42.033826
"1220887"	260.091726	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+ACN+H"	42.033826
"1205867"	130.549501	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+ACN+2H"	43.041102
"203361"	481.08696	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+2Na-H"	44.97116
"642309"	699.14486	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+2Na-H"	44.97116
"1144361"	263.02906	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2Na-H"	44.97116
"186192"	241.047118	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+2Na"	45.978436
"622834"	350.076068	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+2Na"	45.978436
"1121243"	132.018168	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2Na"	45.978436
"1405498"	88.3478706666667	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H+2Na"	46.985712
"1438707"	265.070646	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H+HCOOH"	47.012746
"231688"	246.08014	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+3H2O+2H"	56.04448
"1523033"	279.12269	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+IsoProp+H"	61.06479
"417620"	249.034088	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+Na+K"	61.952376
"776060"	358.063038	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+Na+K"	61.952376
"1674578"	140.005138	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Na+K"	61.952376
"259638"	500.131568	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+ACN+Na"	64.015768
"1235990"	282.073668	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+ACN+Na"	64.015768
"1719410"	282.097193	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+NH4+HCOOH"	64.039293
"1185860"	95.6751846666667	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+3Na"	68.967654
"1657938"	287.052588	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Na+HCOOH"	68.994688
"164436"	513.03484	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+2K-H"	76.91904
"602174"	731.09274	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+2K-H"	76.91904
"1093615"	294.97694	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2K-H"	76.91904
"151158"	257.021058	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"2M+2K"	77.926316
"589628"	366.050008	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"3M+2K"	77.926316
"1076689"	147.992108	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2K"	77.926316
"1100129"	296.991492	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2K+H"	78.933592
"1336435"	297.079107	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+DMSO+H"	79.021207
"1011172"	301.118276	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2ACN+H"	83.060376
"1535861"	302.111908	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+IsoProp+Na+H"	84.054008
"1000126"	151.062776	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+2ACN+2H"	84.067652
"1593536"	303.026528	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+K+HCOOH"	84.968628
"1419195"	333.058038	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+H+CF3COOH"	115.000138
"1153858"	171.576051	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+3ACN+2H"	125.094202
"1701222"	350.084585	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+NH4+CF3COOH"	132.026685
"1639061"	355.03998	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+Na+CF3COOH"	136.98208
"1579086"	371.01392	"C03837"	"4-Methylumbelliferyl acetate"	"C12H10O4"	"218.0579"	"M+K+CF3COOH"	152.95602
"803255"	286.0566	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M"	0
"976424"	267.03821	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-H2O-H"	-19.01839
"69039"	189.697124	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M-3H"	-3.021828
"515160"	285.049324	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M-3H"	-3.021828
"883126"	94.344924	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-3H"	-3.021828
"1456"	285.049324	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M-2H"	-2.014552
"445637"	428.077624	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M-2H"	-2.014552
"819063"	142.021024	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-2H"	-2.014552
"87811"	571.105924	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M-H"	-1.007276
"521901"	857.162524	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M-H"	-1.007276
"896418"	285.049324	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-H"	-1.007276
"51160"	588.132471	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M-2H+NH4"	16.019271
"488652"	874.189071	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M-2H+NH4"	16.019271
"865113"	302.075871	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-2H+NH4"	16.019271
"37155"	593.087866	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M-2H+Na"	20.974666
"481098"	879.144466	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M-2H+Na"	20.974666
"853432"	307.031266	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-2H+Na"	20.974666
"1625151"	307.031266	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Na-2H"	20.974666
"100585"	303.037663	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M-H+Cl"	33.962126
"543426"	446.065963	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M-H+Cl"	33.962126
"934754"	160.009363	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-H+Cl"	33.962126
"273311"	607.082602	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+Cl"	34.969402
"663546"	893.139202	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+Cl"	34.969402
"1273396"	321.026002	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Cl"	34.969402
"17536"	609.061806	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M-2H+K"	36.948606
"464628"	895.118406	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M-2H+K"	36.948606
"841337"	323.005206	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-2H+K"	36.948606
"1558265"	323.005206	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+K-2H"	36.948606
"951616"	331.054794	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-H+HCOOH"	44.998194
"369831"	617.111401	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+HCOOH-H"	44.998201
"355899"	631.127051	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+Hac-H"	59.013851
"1502545"	345.070451	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Hac-H"	59.013851
"966807"	353.036751	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-H+NaCOOH"	66.980151
"114621"	321.026002	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+2Cl"	69.938804
"555276"	464.054302	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+2Cl"	69.938804
"1025168"	177.997702	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2Cl"	69.938804
"1245843"	364.975485	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Br"	78.918885
"1310479"	367.031472	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Cl+HCOOH"	80.974872
"1326884"	389.013429	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Cl+NaCOOH"	102.956829
"920127"	399.042186	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M-H+CF3COOH"	112.985586
"1301207"	435.018864	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Cl+CF3COOH"	148.962264
"1378278"	251.043924	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H-2H2O"	-35.012676
"1396019"	269.0539	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H-H2O"	-17.0027
"295460"	573.120476	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+H"	1.007276
"686786"	859.177076	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+H"	1.007276
"1354387"	287.063876	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H"	1.007276
"136759"	287.063876	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+2H"	2.014552
"577412"	430.092176	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+2H"	2.014552
"1049127"	144.035576	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2H"	2.014552
"215572"	191.711676	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+3H"	3.021828
"654041"	287.063876	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+3H"	3.021828
"1173987"	96.359476	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+3H"	3.021828
"428880"	590.147023	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+NH4"	18.033823
"795340"	876.203623	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+NH4"	18.033823
"1692763"	304.090423	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+NH4"	18.033823
"339948"	295.5771495	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+H+NH4"	19.041099
"727994"	438.6054495	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+H+NH4"	19.041099
"1481815"	152.5488495	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H+NH4"	19.041099
"396119"	595.102418	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+Na"	22.989218
"755294"	881.159018	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+Na"	22.989218
"1605337"	309.045818	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Na"	22.989218
"314766"	298.054847	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+H+Na"	23.996494
"707919"	441.083147	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+H+Na"	23.996494
"1466964"	155.026547	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H+Na"	23.996494
"1059116"	103.68679	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2H+Na"	25.00377
"1264074"	319.090086	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+CH3OH+H"	33.033486
"388116"	611.076358	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+K"	38.963158
"752391"	897.132958	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+K"	38.963158
"1550069"	325.019758	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+K"	38.963158
"308340"	306.041817	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+H+K"	39.970434
"699669"	449.070117	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+H+K"	39.970434
"1452395"	163.013517	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H+K"	39.970434
"248289"	614.147026	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+ACN+H"	42.033826
"1221361"	328.090426	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+ACN+H"	42.033826
"1205974"	164.548851	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+ACN+2H"	43.041102
"202131"	617.08436	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+2Na-H"	44.97116
"638773"	903.14096	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+2Na-H"	44.97116
"1145197"	331.02776	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2Na-H"	44.97116
"184478"	309.045818	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+2Na"	45.978436
"622944"	452.074118	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+2Na"	45.978436
"1119529"	166.017518	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2Na"	45.978436
"1403782"	111.014104	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H+2Na"	46.985712
"1436628"	333.069346	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H+HCOOH"	47.012746
"227422"	314.07884	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+3H2O+2H"	56.04448
"1519132"	347.12139	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+IsoProp+H"	61.06479
"420281"	317.032788	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+Na+K"	61.952376
"776170"	460.061088	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+Na+K"	61.952376
"1674324"	174.004488	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Na+K"	61.952376
"257197"	636.128968	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+ACN+Na"	64.015768
"1234643"	350.072368	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+ACN+Na"	64.015768
"1718792"	350.095893	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+NH4+HCOOH"	64.039293
"1187427"	118.341418	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+3Na"	68.967654
"1654767"	355.051288	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Na+HCOOH"	68.994688
"164547"	649.03224	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+2K-H"	76.91904
"606660"	935.08884	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+2K-H"	76.91904
"1090809"	362.97564	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2K-H"	76.91904
"145804"	325.019758	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"2M+2K"	77.926316
"589738"	468.048058	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"3M+2K"	77.926316
"1076799"	181.991458	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2K"	77.926316
"1100769"	364.990192	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2K+H"	78.933592
"1338372"	365.077807	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+DMSO+H"	79.021207
"1007024"	369.116976	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2ACN+H"	83.060376
"1529402"	370.110608	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+IsoProp+Na+H"	84.054008
"993668"	185.062126	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+2ACN+2H"	84.067652
"1596926"	371.025228	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+K+HCOOH"	84.968628
"1419305"	401.056738	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+H+CF3COOH"	115.000138
"1151782"	205.575401	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+3ACN+2H"	125.094202
"1701332"	418.083285	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+NH4+CF3COOH"	132.026685
"1639171"	423.03868	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+Na+CF3COOH"	136.98208
"1579196"	439.01262	"C03838"	"5-Phosphoribosylglycinamide;GAR;N1-(5-Phospho-D-ribosyl)glycinamide;Glycinamide ribonucleotide"	"C7H15N2O8P"	"286.0566"	"M+K+CF3COOH"	152.95602
"802268"	174.0317	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M"	0
"976534"	155.01331	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-H2O-H"	-19.01839
"72429"	115.013857333333	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M-3H"	-3.021828
"515270"	173.024424	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M-3H"	-3.021828
"886516"	57.0032906666667	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-3H"	-3.021828
"5090"	173.024424	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M-2H"	-2.014552
"445747"	260.040274	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M-2H"	-2.014552
"821359"	86.008574	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-2H"	-2.014552
"89015"	347.056124	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M-H"	-1.007276
"522013"	521.087824	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M-H"	-1.007276
"900175"	173.024424	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-H"	-1.007276
"53456"	364.082671	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M-2H+NH4"	16.019271
"490463"	538.114371	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M-2H+NH4"	16.019271
"867535"	190.050971	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-2H+NH4"	16.019271
"35808"	369.038066	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M-2H+Na"	20.974666
"480112"	543.069766	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M-2H+Na"	20.974666
"857916"	195.006366	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-2H+Na"	20.974666
"1628541"	195.006366	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Na-2H"	20.974666
"103975"	191.012763	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M-H+Cl"	33.962126
"545722"	278.028613	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M-H+Cl"	33.962126
"939238"	103.996913	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-H+Cl"	33.962126
"276701"	383.032802	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+Cl"	34.969402
"670216"	557.064502	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+Cl"	34.969402
"1276060"	209.001102	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Cl"	34.969402
"16467"	385.012006	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M-2H+K"	36.948606
"458178"	559.043706	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M-2H+K"	36.948606
"839260"	210.980306	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-2H+K"	36.948606
"1557281"	210.980306	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+K-2H"	36.948606
"950632"	219.029894	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-H+HCOOH"	44.998194
"366660"	393.061601	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+HCOOH-H"	44.998201
"356010"	407.077251	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+Hac-H"	59.013851
"1502655"	233.045551	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Hac-H"	59.013851
"963637"	241.011851	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-H+NaCOOH"	66.980151
"114731"	209.001102	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+2Cl"	69.938804
"553198"	296.016952	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+2Cl"	69.938804
"1025279"	121.985252	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2Cl"	69.938804
"1243766"	252.950585	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Br"	78.918885
"1307309"	255.006572	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Cl+HCOOH"	80.974872
"1323712"	276.988529	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Cl+NaCOOH"	102.956829
"920236"	287.017286	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M-H+CF3COOH"	112.985586
"1298037"	322.993964	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Cl+CF3COOH"	148.962264
"1375106"	139.019024	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H-2H2O"	-35.012676
"1394789"	157.029	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H-H2O"	-17.0027
"294477"	349.070676	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+H"	1.007276
"681428"	523.102376	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+H"	1.007276
"1357777"	175.038976	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H"	1.007276
"132850"	175.038976	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+2H"	2.014552
"577522"	262.054826	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+2H"	2.014552
"1047413"	88.023126	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2H"	2.014552
"216046"	117.028409333333	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+3H"	3.021828
"656338"	175.038976	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+3H"	3.021828
"1174096"	59.0178426666667	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+3H"	3.021828
"430083"	366.097223	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+NH4"	18.033823
"796543"	540.128923	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+NH4"	18.033823
"1692873"	192.065523	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+NH4"	18.033823
"338965"	183.5522495	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+H+NH4"	19.041099
"727374"	270.5680995	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+H+NH4"	19.041099
"1479004"	96.5363995	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H+NH4"	19.041099
"397321"	371.052618	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+Na"	22.989218
"758322"	545.084318	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+Na"	22.989218
"1605328"	197.020918	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Na"	22.989218
"314754"	186.029947	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+H+Na"	23.996494
"709973"	273.045797	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+H+Na"	23.996494
"1461969"	99.014097	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H+Na"	23.996494
"1059226"	66.3451566666667	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2H+Na"	25.00377
"1265277"	207.065186	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+CH3OH+H"	33.033486
"387132"	387.026558	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+K"	38.963158
"754045"	561.058258	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+K"	38.963158
"1550179"	212.994858	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+K"	38.963158
"308450"	194.016917	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+H+K"	39.970434
"704153"	281.032767	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+H+K"	39.970434
"1456879"	107.001067	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H+K"	39.970434
"245480"	390.097226	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+ACN+H"	42.033826
"1220376"	216.065526	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+ACN+H"	42.033826
"1206448"	108.536401	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+ACN+2H"	43.041102
"203335"	393.03456	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+2Na-H"	44.97116
"635603"	567.06626	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+2Na-H"	44.97116
"1143484"	219.00286	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2Na-H"	44.97116
"184588"	197.020918	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+2Na"	45.978436
"623054"	284.036768	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+2Na"	45.978436
"1122190"	110.005068	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2Na"	45.978436
"1407900"	73.6724706666667	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H+2Na"	46.985712
"1438924"	221.044446	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H+HCOOH"	47.012746
"231178"	202.05394	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+3H2O+2H"	56.04448
"1517780"	235.09649	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+IsoProp+H"	61.06479
"421839"	205.007888	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+Na+K"	61.952376
"775184"	292.023738	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+Na+K"	61.952376
"1671879"	117.992038	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Na+K"	61.952376
"258035"	412.079168	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+ACN+Na"	64.015768
"1234022"	238.047468	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+ACN+Na"	64.015768
"1719630"	238.070993	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+NH4+HCOOH"	64.039293
"1187172"	80.9997846666667	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+3Na"	68.967654
"1654878"	243.026388	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Na+HCOOH"	68.994688
"163926"	424.98244	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+2K-H"	76.91904
"605676"	599.01414	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+2K-H"	76.91904
"1092742"	250.95074	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2K-H"	76.91904
"148100"	212.994858	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"2M+2K"	77.926316
"588754"	300.010708	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"3M+2K"	77.926316
"1078367"	125.979008	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2K"	77.926316
"1103191"	252.965292	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2K+H"	78.933592
"1343950"	253.052907	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+DMSO+H"	79.021207
"1006890"	257.092076	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2ACN+H"	83.060376
"1531698"	258.085708	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+IsoProp+Na+H"	84.054008
"991957"	129.049676	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+2ACN+2H"	84.067652
"1597037"	259.000328	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+K+HCOOH"	84.968628
"1418322"	289.031838	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+H+CF3COOH"	115.000138
"1151892"	149.562951	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+3ACN+2H"	125.094202
"1699255"	306.058385	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+NH4+CF3COOH"	132.026685
"1639281"	311.01378	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+Na+CF3COOH"	136.98208
"1579306"	326.98772	"C03840"	"Juglone;5-Hydroxy-14-naphthoquinone"	"C10H6O3"	"174.0317"	"M+K+CF3COOH"	152.95602
"801511"	184.1099	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M"	0
"975185"	165.09151	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"71446"	121.732657333333	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"515380"	183.102624	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"883346"	60.3626906666667	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"4107"	183.102624	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"449137"	275.157574	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"821470"	91.047674	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"91311"	367.212524	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"523216"	551.322424	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"898464"	183.102624	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"49920"	384.239071	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"490942"	568.348971	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"866917"	200.129171	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"35554"	389.194466	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"486624"	573.304366	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"863492"	205.084566	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1625370"	205.084566	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"105178"	201.090963	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"548020"	293.145913	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"940441"	109.036013	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"276811"	403.189202	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"671420"	587.299102	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1278356"	219.079302	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"16417"	405.168406	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"458287"	589.278306	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"841557"	221.058506	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1559578"	221.058506	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"950742"	229.108094	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"367863"	413.218001	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"356120"	427.233651	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1502766"	243.123751	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"963747"	251.090051	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"118122"	219.079302	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"554401"	311.134252	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1026482"	127.024352	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1243876"	263.028785	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1307419"	265.084772	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1322728"	287.066729	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"917066"	297.095486	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1298147"	333.072164	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1374122"	149.097224	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1393805"	167.1072	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"293493"	369.227076	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"681538"	553.336976	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1357887"	185.117176	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"131867"	185.117176	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"573617"	277.172126	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1044607"	93.062226	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"213603"	123.747209333333	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"653167"	185.117176	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1172383"	62.3772426666667	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"428370"	386.253623	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"793373"	570.363523	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1690796"	202.143723	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"337981"	193.6304495	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"726753"	285.6853995	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1478749"	101.5754995	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"396338"	391.209018	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"755517"	575.318918	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1603615"	207.099118	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"314334"	196.108147	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"707408"	288.163097	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1461442"	104.053197	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1056056"	69.7045566666667	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1264294"	217.143386	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"385055"	407.182958	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"750424"	591.292858	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1549196"	223.073058	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"308560"	204.095117	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"700983"	296.150067	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1452616"	112.040167	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"245590"	410.253626	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1220122"	226.143726	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1207651"	113.575501	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"203854"	413.19096	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"634982"	597.30086	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1142501"	229.08106	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"184698"	207.099118	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"628113"	299.154068	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1121206"	115.044168	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1405824"	77.0318706666667	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1436847"	231.122646	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"232016"	212.13214	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1516797"	245.17469	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"417575"	215.086088	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"775293"	307.141038	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1671625"	123.031138	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"256323"	432.235568	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1233039"	248.125668	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1721928"	248.149193	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1187283"	84.3591846666667	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1656082"	253.104588	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"165130"	445.13884	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"605787"	629.24874	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1095403"	261.02894	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"148210"	223.073058	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"590688"	315.128008	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1075563"	131.018108	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1102572"	263.043492	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1345155"	263.131107	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1007123"	267.170276	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1528527"	268.163908	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"991703"	134.088776	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1596054"	269.078528	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1418432"	299.110038	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1154188"	154.602051	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1699365"	316.136585	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1639391"	321.09198	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1579416"	337.06592	"C03843"	"5-exo-Hydroxy-12-campholide"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"802491"	194.079	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M"	0
"977847"	175.06061	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"71556"	128.378724	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"516583"	193.071724	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"888924"	63.685724	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"6405"	193.071724	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"445967"	290.111224	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"821581"	96.032224	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"91057"	387.150724	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"523326"	581.229724	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"896144"	193.071724	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"48939"	404.177271	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"487402"	598.256271	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"864959"	210.098271	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"36028"	409.132666	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"485073"	603.211666	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"863603"	215.053666	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1625480"	215.053666	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"102008"	211.060063	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"542663"	308.099563	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"940551"	114.020563	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"273642"	423.127402	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"671530"	617.206402	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1277373"	229.048402	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"18838"	425.106606	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"458398"	619.185606	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"838386"	231.027606	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1559688"	231.027606	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"945385"	239.077194	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"369067"	433.156201	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"352950"	447.171851	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1501783"	253.092851	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"963857"	261.059151	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"114951"	229.048402	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"554511"	326.087902	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1026592"	132.008902	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1243986"	272.997885	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1307528"	275.053872	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1322838"	297.035829	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"916083"	307.064586	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1294977"	343.041264	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1374231"	159.066324	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1387354"	177.0763	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"293601"	389.165276	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"680554"	583.244276	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1357994"	195.086276	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"131977"	195.086276	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"573727"	292.125776	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1045804"	98.046776	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"215897"	130.393276	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"652184"	195.086276	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1173586"	65.700276	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"426292"	406.191823	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"792389"	600.270823	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1693093"	212.112823	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"338091"	203.5995495	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"726863"	300.6390495	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1478861"	106.5600495	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"394990"	411.147218	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"754533"	605.226218	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1602955"	217.068218	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"314436"	206.077247	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"707222"	303.116747	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1461388"	109.037747	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1055073"	73.02759	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1262217"	227.112486	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"385165"	427.121158	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"750534"	621.200158	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1549306"	233.042158	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"308670"	214.064217	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"701093"	311.103717	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1453819"	117.024717	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"244607"	430.191826	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1221689"	236.112826	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1205574"	118.560051	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"204206"	433.12916	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"636914"	627.20816	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1146020"	239.05016	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"187729"	217.068218	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"627410"	314.107718	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1123502"	120.028718	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1407027"	80.354904	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1442424"	241.091746	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"232491"	222.10124	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1516907"	255.14379	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"417685"	225.055188	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"776496"	322.094688	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1668453"	128.015688	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"253152"	452.173768	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1231327"	258.094768	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1719487"	258.118293	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1186299"	87.682218	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1652911"	263.073688	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"161960"	465.07704	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"603709"	659.15604	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1093691"	270.99804	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"146134"	233.042158	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"592256"	330.081658	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1075671"	136.002658	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1100373"	273.012592	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1341984"	273.100207	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1008326"	277.139376	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1526451"	278.133008	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"992906"	139.073326	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1597257"	279.047628	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1418542"	309.079138	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1154298"	159.586601	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1698746"	326.105685	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1639501"	331.06108	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1579526"	347.03502	"C03844"	"D-Pinitol;1D-3-O-Methyl-chiro-inositol;5D-5-O-Methyl-chiro-inositol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"808799"	386.3549	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M"	0
"982332"	367.33651	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"73853"	256.562657333333	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"514507"	385.347624	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"889034"	127.777690666667	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"7608"	385.347624	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"447170"	578.525074	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"822784"	192.170174	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"87158"	771.702524	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"523437"	1158.057424	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"898321"	385.347624	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"50509"	788.729071	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"487553"	1175.083971	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"865314"	402.374171	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"36504"	793.684466	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"482632"	1180.039366	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"860434"	407.329566	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1632152"	407.329566	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"105399"	403.335963	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"539493"	596.513413	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"940540"	210.158513	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"277032"	807.679202	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"672612"	1194.034102	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1281858"	421.324302	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"18948"	809.658406	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"457414"	1196.013306	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"835216"	423.303506	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1563077"	423.303506	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"950963"	431.353094	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"368085"	817.708001	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"355246"	831.723651	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1502986"	445.368751	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"965060"	453.335051	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"118341"	421.324302	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"558995"	614.501752	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1028889"	228.146852	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1245190"	465.273785	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1309826"	467.329772	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1326229"	489.311729	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"920568"	499.340486	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1300554"	535.317164	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1374341"	351.342224	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1388556"	369.3522	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"289336"	773.717076	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"681756"	1160.071976	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1358105"	387.362176	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H"	1.007276
"130994"	387.362176	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"574930"	580.539626	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1044821"	194.184726	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"214914"	258.577209333333	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"652295"	387.362176	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1171510"	129.792242666667	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"427132"	790.743623	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"789219"	1177.098523	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1692111"	404.388723	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"336013"	395.8754495	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"727341"	589.0528995	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1479336"	202.6979995	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"394734"	795.699018	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"754753"	1182.053918	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1603106"	409.344118	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"314513"	398.353147	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"707866"	591.530597	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1461568"	205.175697	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1055183"	137.119556666667	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1262328"	419.388386	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"385275"	811.672958	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"750280"	1198.027858	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1547229"	425.318058	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+K"	38.963158
"307688"	406.340117	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"701203"	599.517567	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1453929"	213.162667	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"244717"	814.743626	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1221435"	428.388726	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1206413"	214.698001	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"203304"	817.68096	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"634838"	1204.03586	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1145523"	431.32606	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"187109"	409.344118	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"625573"	602.521568	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1122883"	216.166668	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1407139"	144.446870666667	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1440346"	433.367646	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"230047"	414.37714	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1515925"	447.41969	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"420716"	417.331088	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"781346"	610.508538	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1667837"	224.153638	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"255087"	836.725568	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1230347"	450.370668	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1717046"	450.394193	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1181307"	151.774184666667	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1652294"	455.349588	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"159155"	849.62884	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"600537"	1235.98374	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1091614"	463.27394	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"148431"	425.318058	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"589086"	618.495508	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1071405"	232.140608	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1100363"	465.288492	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1338812"	465.376107	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1006369"	469.415276	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1525831"	470.408908	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"996299"	235.211276	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1596274"	471.323528	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1418652"	501.355038	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1154408"	255.724551	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1699585"	518.381585	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1639611"	523.33698	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1579636"	539.31092	"C03845"	"5alpha-Cholest-8-en-3beta-ol;Zymostenol;Cholestenol"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"803441"	188.1161	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M"	0
"976974"	169.09771	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-H2O-H"	-19.01839
"71775"	124.403457333333	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M-3H"	-3.021828
"514616"	187.108824	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M-3H"	-3.021828
"889144"	61.6980906666667	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-3H"	-3.021828
"9905"	187.108824	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M-2H"	-2.014552
"451654"	281.166874	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M-2H"	-2.014552
"825081"	93.050774	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-2H"	-2.014552
"87268"	375.224924	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M-H"	-1.007276
"520630"	563.341024	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M-H"	-1.007276
"898066"	187.108824	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-H"	-1.007276
"49159"	392.251471	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M-2H+NH4"	16.019271
"489449"	580.367571	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M-2H+NH4"	16.019271
"866882"	204.135371	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-2H+NH4"	16.019271
"34427"	397.206866	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M-2H+Na"	20.974666
"483838"	585.322966	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M-2H+Na"	20.974666
"861273"	209.090766	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-2H+Na"	20.974666
"1632262"	209.090766	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Na-2H"	20.974666
"105509"	205.097163	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M-H+Cl"	33.962126
"542883"	299.155213	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M-H+Cl"	33.962126
"941258"	111.039113	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-H+Cl"	33.962126
"281276"	411.201602	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+Cl"	34.969402
"673937"	599.317702	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+Cl"	34.969402
"1284155"	223.085502	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Cl"	34.969402
"17965"	413.180806	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M-2H+K"	36.948606
"459712"	601.296906	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M-2H+K"	36.948606
"836420"	225.064706	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-2H+K"	36.948606
"1562095"	225.064706	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+K-2H"	36.948606
"949980"	233.114294	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-H+HCOOH"	44.998194
"369288"	421.230401	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+HCOOH-H"	44.998201
"354263"	435.246051	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+Hac-H"	59.013851
"1502003"	247.129951	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Hac-H"	59.013851
"964077"	255.096251	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-H+NaCOOH"	66.980151
"115171"	223.085502	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+2Cl"	69.938804
"556918"	317.143552	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+2Cl"	69.938804
"1026812"	129.027452	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2Cl"	69.938804
"1246392"	267.034985	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Br"	78.918885
"1309935"	269.090972	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Cl+HCOOH"	80.974872
"1321235"	291.072929	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Cl+NaCOOH"	102.956829
"920677"	301.101686	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M-H+CF3COOH"	112.985586
"1301758"	337.078364	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Cl+CF3COOH"	148.962264
"1374451"	153.103424	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H-2H2O"	-35.012676
"1387573"	171.1134	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H-H2O"	-17.0027
"288353"	377.239476	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+H"	1.007276
"681866"	565.355576	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+H"	1.007276
"1359309"	189.123376	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H"	1.007276
"133291"	189.123376	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+2H"	2.014552
"569569"	283.181426	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+2H"	2.014552
"1040921"	95.065326	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2H"	2.014552
"215024"	126.418009333333	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+3H"	3.021828
"653501"	189.123376	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+3H"	3.021828
"1173809"	63.7126426666667	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+3H"	3.021828
"428335"	394.266023	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+NH4"	18.033823
"788236"	582.382123	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+NH4"	18.033823
"1692221"	206.149923	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+NH4"	18.033823
"338311"	197.6366495	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+H+NH4"	19.041099
"727452"	291.6946995	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+H+NH4"	19.041099
"1479449"	103.5785995	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H+NH4"	19.041099
"394118"	399.221418	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+Na"	22.989218
"754869"	587.337518	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+Na"	22.989218
"1606862"	211.105318	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Na"	22.989218
"314751"	200.114347	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+H+Na"	23.996494
"707858"	294.172397	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+H+Na"	23.996494
"1463261"	106.056297	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H+Na"	23.996494
"1055293"	71.0399566666667	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2H+Na"	25.00377
"1265718"	221.149586	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+CH3OH+H"	33.033486
"385385"	415.195358	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+K"	38.963158
"749661"	603.311458	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+K"	38.963158
"1549526"	227.079258	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+K"	38.963158
"305611"	208.101317	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+H+K"	39.970434
"701313"	302.159367	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+H+K"	39.970434
"1456227"	114.043267	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H+K"	39.970434
"245921"	418.266026	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+ACN+H"	42.033826
"1221545"	230.149926	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+ACN+H"	42.033826
"1206526"	115.578601	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+ACN+2H"	43.041102
"202558"	421.20336	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+2Na-H"	44.97116
"638228"	609.31946	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+2Na-H"	44.97116
"1146483"	233.08726	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2Na-H"	44.97116
"187464"	211.105318	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+2Na"	45.978436
"627633"	305.163368	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+2Na"	45.978436
"1123723"	117.047268	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2Na"	45.978436
"1410529"	78.3672706666667	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H+2Na"	46.985712
"1437176"	235.128846	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H+HCOOH"	47.012746
"230155"	216.13834	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+3H2O+2H"	56.04448
"1522110"	249.18089	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+IsoProp+H"	61.06479
"421186"	219.092288	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+Na+K"	61.952376
"781821"	313.150338	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+Na+K"	61.952376
"1670863"	125.034238	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Na+K"	61.952376
"257383"	440.247968	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+ACN+Na"	64.015768
"1230092"	252.131868	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+ACN+Na"	64.015768
"1722256"	252.155393	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+NH4+HCOOH"	64.039293
"1186523"	85.6945846666667	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+3Na"	68.967654
"1654227"	257.110788	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Na+HCOOH"	68.994688
"162182"	453.15124	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+2K-H"	76.91904
"601741"	641.26734	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+2K-H"	76.91904
"1095005"	265.03514	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2K-H"	76.91904
"151820"	227.079258	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"2M+2K"	77.926316
"592475"	321.137308	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"3M+2K"	77.926316
"1069571"	133.021208	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2K"	77.926316
"1100836"	267.049692	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2K+H"	78.933592
"1343298"	267.137307	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+DMSO+H"	79.021207
"1010734"	271.176476	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2ACN+H"	83.060376
"1533233"	272.170108	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+IsoProp+Na+H"	84.054008
"993126"	136.091876	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+2ACN+2H"	84.067652
"1595289"	273.084728	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+K+HCOOH"	84.968628
"1418762"	303.116238	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+H+CF3COOH"	115.000138
"1154518"	156.605151	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+3ACN+2H"	125.094202
"1699695"	320.142785	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+NH4+CF3COOH"	132.026685
"1639721"	325.09818	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+Na+CF3COOH"	136.98208
"1579746"	341.07212	"C03846"	"6-Acetamido-3-aminohexanoate"	"C8H16N2O3"	"188.1161"	"M+K+CF3COOH"	152.95602
"806833"	504.169	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M"	0
"975989"	485.15061	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"69698"	335.105390666667	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"512548"	503.161724	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"894929"	167.049057333333	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"13299"	503.161724	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"453953"	755.246224	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"825201"	251.077224	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"84098"	1007.330724	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"524751"	1511.499724	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"899269"	503.161724	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"49996"	1024.357271	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"490286"	1528.526271	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"878310"	520.188271	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"43289"	1029.312666	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"480661"	1533.481666	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"858463"	525.143666	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1629091"	525.143666	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"102339"	521.150063	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"539712"	773.234563	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"942220"	269.065563	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"280782"	1043.307402	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"667490"	1547.476402	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1277706"	539.138402	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"18075"	1045.286606	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"460915"	1549.455606	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"840905"	541.117606	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1566578"	541.117606	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"950091"	549.167194	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"368305"	1053.336201	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"354374"	1067.351851	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1501017"	563.182851	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"966372"	571.149151	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"114187"	539.138402	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"557029"	791.222902	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1024734"	287.053902	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1249782"	583.087885	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1310044"	585.143872	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1329730"	607.125829	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"920787"	617.154586	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1299682"	653.131264	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1374561"	469.156324	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1385861"	487.1663	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"285546"	1009.345276	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"681250"	1513.514276	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1355411"	505.176276	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"129758"	505.176276	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"574057"	757.260776	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1045049"	253.091776	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"214047"	337.119942666667	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"655428"	505.176276	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1167723"	169.063609333333	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"429537"	1026.371823	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"797821"	1530.540823	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1691234"	522.202823	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"333314"	513.6895495	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"726832"	765.7740495	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1479925"	261.6050495	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"393259"	1031.327218	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"754374"	1535.496218	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1608065"	527.158218	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"315059"	516.167247	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"707361"	768.251747	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1464343"	264.082747	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1054673"	176.390923333333	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1259632"	537.202486	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"379301"	1047.301158	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"745400"	1551.470158	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1544175"	543.132158	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"305724"	524.154217	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"700332"	776.238717	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1455244"	272.069717	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"241659"	1050.371826	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1216556"	546.202826	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1200441"	273.605051	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"197687"	1053.30916	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"638341"	1557.47816	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1141848"	549.14016	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"178577"	527.158218	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"617412"	779.242718	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1127117"	275.073718	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1407359"	183.718237333333	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1442760"	551.181746	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"230269"	532.19124	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1520518"	565.23379	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"419110"	535.145188	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"772456"	787.229688	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1670976"	283.060688	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"257495"	1072.353768	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1233483"	568.184768	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1716904"	568.208293	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1182255"	191.045551333333	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1655430"	573.163688	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"163385"	1085.25704	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"605132"	1589.42604	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1089646"	581.08804	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"149744"	543.132158	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"581683"	795.216658	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1068944"	291.047658	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1100457"	583.102592	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1336604"	583.190207	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1006345"	587.229376	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1528977"	588.223008	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"997617"	294.118326	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1597586"	589.137628	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1421059"	619.169138	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1160097"	314.631601	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1707461"	636.195685	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1639831"	641.15108	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1574388"	657.12502	"C03848"	"6F-alpha-D-Galactosylsucrose;Planteose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"803297"	427.0294	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M"	0
"979378"	408.01101	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H2O-H"	-19.01839
"75287"	283.678990666667	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-3H"	-3.021828
"515575"	426.022124	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-3H"	-3.021828
"892650"	141.335857333333	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-3H"	-3.021828
"11224"	426.022124	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H"	-2.014552
"448603"	639.536824	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H"	-2.014552
"827497"	212.507424	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H"	-2.014552
"83115"	853.051524	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H"	-1.007276
"521581"	1280.080924	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H"	-1.007276
"900476"	426.022124	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H"	-1.007276
"57039"	870.078071	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+NH4"	16.019271
"499887"	1297.107471	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+NH4"	16.019271
"875500"	443.048671	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+NH4"	16.019271
"45951"	875.033466	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+Na"	20.974666
"480772"	1302.062866	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+Na"	20.974666
"861853"	448.004066	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+Na"	20.974666
"1623734"	448.004066	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na-2H"	20.974666
"100263"	444.010463	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-H+Cl"	33.962126
"546385"	657.525163	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-H+Cl"	33.962126
"942331"	230.495763	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+Cl"	33.962126
"280643"	889.028202	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Cl"	34.969402
"668691"	1316.057602	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Cl"	34.969402
"1284376"	461.998802	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl"	34.969402
"25837"	891.007406	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M-2H+K"	36.948606
"469773"	1318.036806	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M-2H+K"	36.948606
"845022"	463.978006	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-2H+K"	36.948606
"1566686"	463.978006	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K-2H"	36.948606
"954570"	472.027594	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+HCOOH"	44.998194
"371693"	899.057001	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+HCOOH-H"	44.998201
"352295"	913.072651	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Hac-H"	59.013851
"1494929"	486.043251	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Hac-H"	59.013851
"962109"	494.009551	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+NaCOOH"	66.980151
"115755"	461.998802	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Cl"	69.938804
"556045"	675.513502	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Cl"	69.938804
"1027032"	248.484102	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Cl"	69.938804
"1248797"	505.948285	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Br"	78.918885
"1311246"	508.004272	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+HCOOH"	80.974872
"1328742"	529.986229	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+NaCOOH"	102.956829
"924174"	540.014986	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M-H+CF3COOH"	112.985586
"1303435"	575.991664	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Cl+CF3COOH"	148.962264
"1377953"	392.016724	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-2H2O"	-35.012676
"1387793"	410.0267	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H-H2O"	-17.0027
"286021"	855.066076	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H"	1.007276
"679534"	1282.095476	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H"	1.007276
"1355155"	428.036676	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H"	1.007276
"134602"	428.036676	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2H"	2.014552
"577092"	641.551376	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2H"	2.014552
"1046256"	214.521976	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H"	2.014552
"215250"	285.693542666667	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H"	3.021828
"653716"	428.036676	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+3H"	3.021828
"1169653"	143.350409333333	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3H"	3.021828
"435112"	872.092623	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+NH4"	18.033823
"798294"	1299.122023	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+NH4"	18.033823
"1684422"	445.063223	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4"	18.033823
"334522"	436.5499495	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+NH4"	19.041099
"725850"	650.0646495	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+NH4"	19.041099
"1477970"	223.0352495	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+NH4"	19.041099
"394098"	877.048018	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na"	22.989218
"754970"	1304.077418	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na"	22.989218
"1604161"	450.018618	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na"	22.989218
"314560"	439.027647	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+Na"	23.996494
"712818"	652.542347	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+Na"	23.996494
"1465546"	225.512947	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+Na"	23.996494
"1057699"	150.677723333333	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2H+Na"	25.00377
"1264845"	460.062886	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+CH3OH+H"	33.033486
"385607"	893.021958	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+K"	38.963158
"744418"	1320.051358	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+K"	38.963158
"1547565"	465.992558	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K"	38.963158
"312031"	447.014617	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+H+K"	39.970434
"702629"	660.529317	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+H+K"	39.970434
"1455356"	233.499917	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+K"	39.970434
"247239"	896.092626	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+H"	42.033826
"1216668"	469.063226	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+H"	42.033826
"1199460"	235.035251	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+2H"	43.041102
"192694"	899.02996	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na-H"	44.97116
"634441"	1326.05936	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na-H"	44.97116
"1138677"	472.00056	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na-H"	44.97116
"178690"	450.018618	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2Na"	45.978436
"626640"	663.533318	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2Na"	45.978436
"1128322"	236.503918	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2Na"	45.978436
"1402007"	158.005037333333	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+2Na"	46.985712
"1436309"	474.042146	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+HCOOH"	47.012746
"226003"	455.05164	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+3H2O+2H"	56.04448
"1515162"	488.09419	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+H"	61.06479
"414855"	458.005588	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+Na+K"	61.952376
"778038"	671.520288	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+Na+K"	61.952376
"1671085"	244.490888	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+K"	61.952376
"256513"	918.074568	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+ACN+Na"	64.015768
"1230317"	491.045168	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+ACN+Na"	64.015768
"1715921"	491.068693	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+HCOOH"	64.039293
"1182365"	165.332351333333	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3Na"	68.967654
"1653353"	496.024088	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+HCOOH"	68.994688
"162401"	930.97784	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K-H"	76.91904
"605240"	1358.00724	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K-H"	76.91904
"1089753"	503.94844	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K-H"	76.91904
"142312"	465.992558	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"2M+2K"	77.926316
"582238"	679.507258	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"3M+2K"	77.926316
"1069425"	252.477858	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K"	77.926316
"1104951"	505.962992	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2K+H"	78.933592
"1337808"	506.050607	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+DMSO+H"	79.021207
"1009871"	510.089776	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+H"	83.060376
"1527264"	511.083408	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+IsoProp+Na+H"	84.054008
"992621"	255.548526	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+2ACN+2H"	84.067652
"1589673"	511.998028	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+HCOOH"	84.968628
"1423358"	542.029538	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+H+CF3COOH"	115.000138
"1160209"	276.061801	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+3ACN+2H"	125.094202
"1706479"	559.056085	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+NH4+CF3COOH"	132.026685
"1642129"	564.01148	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+Na+CF3COOH"	136.98208
"1583248"	579.98542	"C03850"	"Adenosine 25-bisphosphate"	"C10H15N5O10P2"	"427.0294"	"M+K+CF3COOH"	152.95602
"801905"	346.0791	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M"	0
"975115"	327.06071	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-H2O-H"	-19.01839
"76125"	229.712124	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M-3H"	-3.021828
"514956"	345.071824	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M-3H"	-3.021828
"885102"	114.352424	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-3H"	-3.021828
"12427"	345.071824	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M-2H"	-2.014552
"448712"	518.111374	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M-2H"	-2.014552
"825421"	172.032274	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-2H"	-2.014552
"80064"	691.150924	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M-H"	-1.007276
"521691"	1037.230024	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M-H"	-1.007276
"900586"	345.071824	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-H"	-1.007276
"57149"	708.177471	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M-2H+NH4"	16.019271
"497808"	1054.256571	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M-2H+NH4"	16.019271
"874517"	362.098371	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-2H+NH4"	16.019271
"38041"	713.132866	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M-2H+Na"	20.974666
"480881"	1059.211966	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M-2H+Na"	20.974666
"854309"	367.053766	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-2H+Na"	20.974666
"1620562"	367.053766	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Na-2H"	20.974666
"97092"	363.060163	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M-H+Cl"	33.962126
"535920"	536.099713	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M-H+Cl"	33.962126
"931262"	190.020613	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-H+Cl"	33.962126
"269451"	727.127602	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+Cl"	34.969402
"662235"	1073.206702	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+Cl"	34.969402
"1274640"	381.048502	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Cl"	34.969402
"21570"	729.106806	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M-2H+K"	36.948606
"458215"	1075.185906	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M-2H+K"	36.948606
"833217"	383.027706	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-2H+K"	36.948606
"1561692"	383.027706	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+K-2H"	36.948606
"948117"	391.077294	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-H+HCOOH"	44.998194
"367425"	737.156401	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+HCOOH-H"	44.998201
"350216"	751.172051	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+Hac-H"	59.013851
"1494310"	405.092951	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Hac-H"	59.013851
"960029"	413.059251	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-H+NaCOOH"	66.980151
"110387"	381.048502	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+2Cl"	69.938804
"551414"	554.088052	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+2Cl"	69.938804
"1024955"	208.008952	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2Cl"	69.938804
"1243074"	424.997985	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Br"	78.918885
"1309167"	427.053972	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Cl+HCOOH"	80.974872
"1322290"	449.035929	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Cl+NaCOOH"	102.956829
"915536"	459.064686	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M-H+CF3COOH"	112.985586
"1302086"	495.041364	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Cl+CF3COOH"	148.962264
"1378063"	311.066424	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H-2H2O"	-35.012676
"1386810"	329.0764	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H-H2O"	-17.0027
"285768"	693.165476	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+H"	1.007276
"680374"	1039.244576	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+H"	1.007276
"1354172"	347.086376	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H"	1.007276
"129609"	347.086376	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+2H"	2.014552
"573194"	520.125926	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+2H"	2.014552
"1041993"	174.046826	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2H"	2.014552
"210988"	231.726676	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+3H"	3.021828
"654919"	347.086376	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+3H"	3.021828
"1169763"	116.366976	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+3H"	3.021828
"436317"	710.192023	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+NH4"	18.033823
"795124"	1056.271123	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+NH4"	18.033823
"1684896"	364.112923	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+NH4"	18.033823
"333175"	355.5996495	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+H+NH4"	19.041099
"725232"	528.6391995	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+H+NH4"	19.041099
"1477072"	182.5600995	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H+NH4"	19.041099
"392875"	715.147418	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+Na"	22.989218
"754341"	1061.226518	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+Na"	22.989218
"1603663"	369.068318	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Na"	22.989218
"314626"	358.077347	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+H+Na"	23.996494
"707578"	531.116897	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+H+Na"	23.996494
"1461559"	185.037797	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H+Na"	23.996494
"1055619"	123.69429	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2H+Na"	25.00377
"1257906"	379.112586	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+CH3OH+H"	33.033486
"381342"	731.121358	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+K"	38.963158
"740879"	1077.200458	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+K"	38.963158
"1543299"	385.042258	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+K"	38.963158
"302663"	366.064317	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+H+K"	39.970434
"698365"	539.103867	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+H+K"	39.970434
"1455465"	193.024767	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H+K"	39.970434
"241882"	734.192026	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+ACN+H"	42.033826
"1214591"	388.112926	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+ACN+H"	42.033826
"1199570"	194.560101	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+ACN+2H"	43.041102
"195721"	737.12936	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+2Na-H"	44.97116
"631271"	1083.20846	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+2Na-H"	44.97116
"1137693"	391.05026	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2Na-H"	44.97116
"176977"	369.068318	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+2Na"	45.978436
"627480"	542.107868	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+2Na"	45.978436
"1129160"	196.028768	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2Na"	45.978436
"1404304"	131.021604	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H+2Na"	46.985712
"1442616"	393.091846	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H+HCOOH"	47.012746
"231581"	374.10134	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+3H2O+2H"	56.04448
"1519645"	407.14389	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+IsoProp+H"	61.06479
"410224"	377.055288	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+Na+K"	61.952376
"774863"	550.094838	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+Na+K"	61.952376
"1671194"	204.015738	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Na+K"	61.952376
"257352"	756.173968	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+ACN+Na"	64.015768
"1231882"	410.094868	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+ACN+Na"	64.015768
"1720402"	410.118393	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+NH4+HCOOH"	64.039293
"1183570"	138.348918	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+3Na"	68.967654
"1657837"	415.073788	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Na+HCOOH"	68.994688
"163605"	769.07724	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+2K-H"	76.91904
"604257"	1115.15634	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+2K-H"	76.91904
"1088770"	422.99814	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2K-H"	76.91904
"142421"	385.042258	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"2M+2K"	77.926316
"583325"	558.081808	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"3M+2K"	77.926316
"1070754"	212.002708	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2K"	77.926316
"1102874"	425.012692	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2K+H"	78.933592
"1337430"	425.100307	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+DMSO+H"	79.021207
"1010344"	429.139476	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2ACN+H"	83.060376
"1528831"	430.133108	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+IsoProp+Na+H"	84.054008
"993459"	215.073376	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+2ACN+2H"	84.067652
"1589783"	431.047728	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+K+HCOOH"	84.968628
"1424561"	461.079238	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+H+CF3COOH"	115.000138
"1159225"	235.586651	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+3ACN+2H"	125.094202
"1707682"	478.105785	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+NH4+CF3COOH"	132.026685
"1638959"	483.06118	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+Na+CF3COOH"	136.98208
"1583358"	499.03512	"C03851"	"Adenosine 5-phosphoramidate"	"C10H15N6O6P"	"346.0791"	"M+K+CF3COOH"	152.95602
"801406"	292.2402	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M"	0
"975589"	273.22181	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"75142"	193.819524	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"515066"	291.232924	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"885212"	96.406124	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"12537"	291.232924	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"443721"	437.353024	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"825531"	145.112824	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"83699"	583.473124	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"521801"	875.713324	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"896321"	291.232924	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"53979"	600.499671	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"500104"	892.739871	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"870253"	308.259471	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"37059"	605.455066	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"476620"	897.695266	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"855516"	313.214866	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1623954"	313.214866	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"102670"	309.221263	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"543324"	455.341363	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"936839"	163.101163	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"275396"	619.449802	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"667817"	911.690002	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1278032"	327.209602	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"21681"	621.429006	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"458325"	913.669206	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"833042"	329.188806	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1555970"	329.188806	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"950416"	337.238394	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"364255"	629.478601	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"348503"	643.494251	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1495515"	351.254051	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"959411"	359.220351	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"114516"	327.209602	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"554078"	473.329702	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1024336"	181.089502	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1245738"	371.159085	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1310372"	373.215072	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1322400"	395.197029	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"917834"	405.225786	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1295637"	441.202464	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1374893"	257.227524	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1391294"	275.2375	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"285878"	585.487676	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"682307"	877.727876	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1353551"	293.247476	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"126439"	293.247476	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"569282"	439.367576	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1042093"	147.127376	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"210001"	195.834076	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"652841"	293.247476	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1170967"	98.420676	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"429867"	602.514223	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"798514"	894.754423	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1681344"	310.274023	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"332193"	301.7607495	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"726802"	447.8808495	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1477076"	155.6406495	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"393017"	607.469618	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"754828"	899.709818	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1603042"	315.229418	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"314411"	304.238447	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"708665"	450.358547	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1461916"	158.118347	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1052866"	105.74799	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1258504"	325.273686	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"383640"	623.443558	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"744635"	915.683758	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1546689"	331.203358	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"306052"	312.225417	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"701754"	458.345517	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1457397"	166.105317	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"243085"	626.514226	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1215794"	334.274026	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1199680"	167.640651	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"194372"	629.45156	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"631381"	921.69176	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1134887"	337.21136	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"177817"	315.229418	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"626497"	461.349518	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1128178"	169.109318	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1406966"	113.075304	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1440175"	339.252946	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"227683"	320.26244	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1516475"	353.30499	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"409362"	323.216388	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"773881"	469.336488	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1670213"	177.096288	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"257096"	648.496168	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1231265"	356.255968	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1718693"	356.279493	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1181858"	120.402618	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1656856"	361.234888	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"163718"	661.39944	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"605461"	953.63964	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1091067"	369.15924	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"143874"	331.203358	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"582827"	477.323458	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1069771"	185.083258	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1105170"	371.173792	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1337177"	371.261407	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1011183"	375.300576	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1527484"	376.294208	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"993204"	188.153926	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1589527"	377.208828	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1415916"	407.240338	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1159335"	208.667201	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1704512"	424.266885	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1639069"	429.22228	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1580188"	445.19622	"C03852"	"Androstan-3alpha17beta-diol;5alpha-Androstan-3alpha17beta-diol"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"807274"	400.0536	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M"	0
"975337"	381.03521	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-H2O-H"	-19.01839
"67958"	265.695124	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M-3H"	-3.021828
"506426"	399.046324	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M-3H"	-3.021828
"884227"	132.343924	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-3H"	-3.021828
"4991"	399.046324	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M-2H"	-2.014552
"450027"	599.073124	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M-2H"	-2.014552
"821632"	199.019524	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-2H"	-2.014552
"83445"	799.099924	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M-H"	-1.007276
"520818"	1199.153524	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M-H"	-1.007276
"895859"	399.046324	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-H"	-1.007276
"51173"	816.126471	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M-2H+NH4"	16.019271
"495841"	1216.180071	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M-2H+NH4"	16.019271
"869270"	416.072871	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-2H+NH4"	16.019271
"36076"	821.081866	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M-2H+Na"	20.974666
"474544"	1221.135466	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M-2H+Na"	20.974666
"854533"	421.028266	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-2H+Na"	20.974666
"1621877"	421.028266	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Na-2H"	20.974666
"97677"	417.034663	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M-H+Cl"	33.962126
"542342"	617.061463	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M-H+Cl"	33.962126
"936950"	217.007863	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-H+Cl"	33.962126
"275507"	835.076602	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+Cl"	34.969402
"665742"	1235.130202	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+Cl"	34.969402
"1278143"	435.023002	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Cl"	34.969402
"18511"	837.055806	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M-2H+K"	36.948606
"459529"	1237.109406	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M-2H+K"	36.948606
"833236"	437.002206	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-2H+K"	36.948606
"1555954"	437.002206	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+K-2H"	36.948606
"946151"	445.051794	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-H+HCOOH"	44.998194
"362298"	845.105401	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+HCOOH-H"	44.998201
"347520"	859.121051	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+Hac-H"	59.013851
"1494529"	459.067451	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Hac-H"	59.013851
"961710"	467.033751	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-H+NaCOOH"	66.980151
"113533"	435.023002	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+2Cl"	69.938804
"552365"	635.049802	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+2Cl"	69.938804
"1024446"	234.996202	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2Cl"	69.938804
"1243296"	478.972485	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Br"	78.918885
"1305137"	481.028472	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Cl+HCOOH"	80.974872
"1319920"	503.010429	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Cl+NaCOOH"	102.956829
"914664"	513.039186	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M-H+CF3COOH"	112.985586
"1295745"	549.015864	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Cl+CF3COOH"	148.962264
"1369900"	365.040924	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H-2H2O"	-35.012676
"1385208"	383.0509	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H-H2O"	-17.0027
"285988"	801.114476	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+H"	1.007276
"677314"	1201.168076	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+H"	1.007276
"1351589"	401.060876	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H"	1.007276
"126304"	401.060876	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+2H"	2.014552
"567206"	601.087676	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+2H"	2.014552
"1040381"	201.034076	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2H"	2.014552
"212298"	267.709676	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+3H"	3.021828
"655140"	401.060876	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+3H"	3.021828
"1169985"	134.358476	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+3H"	3.021828
"435444"	818.141023	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+NH4"	18.033823
"799358"	1218.194623	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+NH4"	18.033823
"1684025"	418.087423	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+NH4"	18.033823
"333396"	409.5741495	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+H+NH4"	19.041099
"726912"	609.6009495	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+H+NH4"	19.041099
"1477447"	209.5473495	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H+NH4"	19.041099
"393332"	823.096418	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+Na"	22.989218
"756031"	1223.150018	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+Na"	22.989218
"1604250"	423.042818	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Na"	22.989218
"314335"	412.051847	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+H+Na"	23.996494
"709869"	612.078647	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+H+Na"	23.996494
"1461576"	212.025047	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H+Na"	23.996494
"1053656"	141.68579	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2H+Na"	25.00377
"1259708"	433.087086	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+CH3OH+H"	33.033486
"385936"	839.070358	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+K"	38.963158
"748025"	1239.123958	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+K"	38.963158
"1547163"	439.016758	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+K"	38.963158
"306162"	420.038817	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+H+K"	39.970434
"697853"	620.065617	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+H+K"	39.970434
"1456413"	220.012017	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H+K"	39.970434
"241373"	842.141026	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+ACN+H"	42.033826
"1217363"	442.087426	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+ACN+H"	42.033826
"1201976"	221.547351	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+ACN+2H"	43.041102
"194117"	845.07836	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+2Na-H"	44.97116
"632220"	1245.13196	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+2Na-H"	44.97116
"1136820"	445.02476	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2Na-H"	44.97116
"177563"	423.042818	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+2Na"	45.978436
"624056"	623.069618	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+2Na"	45.978436
"1127195"	223.016018	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2Na"	45.978436
"1410723"	149.013104	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H+2Na"	46.985712
"1438464"	447.066346	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H+HCOOH"	47.012746
"228159"	428.07584	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+3H2O+2H"	56.04448
"1517314"	461.11839	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+IsoProp+H"	61.06479
"412995"	431.029788	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+Na+K"	61.952376
"772897"	631.056588	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+Na+K"	61.952376
"1669594"	231.002988	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Na+K"	61.952376
"254291"	864.122968	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+ACN+Na"	64.015768
"1231739"	464.069368	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+ACN+Na"	64.015768
"1718074"	464.092893	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+NH4+HCOOH"	64.039293
"1181969"	156.340418	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+3Na"	68.967654
"1655142"	469.048288	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Na+HCOOH"	68.994688
"163099"	877.02624	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+2K-H"	76.91904
"604478"	1277.07984	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+2K-H"	76.91904
"1091178"	476.97264	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2K-H"	76.91904
"142040"	439.016758	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"2M+2K"	77.926316
"584639"	639.043558	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"3M+2K"	77.926316
"1070245"	238.989958	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2K"	77.926316
"1103094"	478.987192	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2K+H"	78.933592
"1336676"	479.074807	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+DMSO+H"	79.021207
"1010200"	483.113976	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2ACN+H"	83.060376
"1528327"	484.107608	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+IsoProp+Na+H"	84.054008
"992949"	242.060626	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+2ACN+2H"	84.067652
"1591461"	485.022228	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+K+HCOOH"	84.968628
"1415297"	515.053738	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+H+CF3COOH"	115.000138
"1159445"	262.573901	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+3ACN+2H"	125.094202
"1704622"	532.080285	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+NH4+CF3COOH"	132.026685
"1639179"	537.03568	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+Na+CF3COOH"	136.98208
"1580298"	553.00962	"C03853"	"Bis(glycerophospho)-glycerol"	"C9H22O13P2"	"400.0536"	"M+K+CF3COOH"	152.95602
"810665"	548.4077	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M"	0
"977637"	529.38931	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-H2O-H"	-19.01839
"68068"	364.597857333333	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M-3H"	-3.021828
"509816"	547.400424	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M-3H"	-3.021828
"884337"	181.795290666667	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-3H"	-3.021828
"5101"	547.400424	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M-2H"	-2.014552
"450137"	821.604274	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M-2H"	-2.014552
"821378"	273.196574	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-2H"	-2.014552
"87930"	1095.808124	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M-H"	-1.007276
"529677"	1644.215824	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M-H"	-1.007276
"904198"	547.400424	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-H"	-1.007276
"50919"	1112.834671	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M-2H+NH4"	16.019271
"494859"	1661.242371	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M-2H+NH4"	16.019271
"870470"	564.426971	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-2H+NH4"	16.019271
"32904"	1117.790066	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M-2H+Na"	20.974666
"476842"	1666.197766	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M-2H+Na"	20.974666
"854643"	569.382366	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-2H+Na"	20.974666
"1627459"	569.382366	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Na-2H"	20.974666
"103988"	565.388763	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M-H+Cl"	33.962126
"542453"	839.592613	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M-H+Cl"	33.962126
"934875"	291.184913	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-H+Cl"	33.962126
"277805"	1131.784802	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+Cl"	34.969402
"665854"	1680.192502	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+Cl"	34.969402
"1281536"	583.377102	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Cl"	34.969402
"22997"	1133.764006	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M-2H+K"	36.948606
"460372"	1682.171706	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M-2H+K"	36.948606
"839267"	585.356306	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-2H+K"	36.948606
"1560568"	585.356306	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+K-2H"	36.948606
"947357"	593.405894	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-H+HCOOH"	44.998194
"366666"	1141.813601	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+HCOOH-H"	44.998201
"348728"	1155.829251	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+Hac-H"	59.013851
"1497925"	607.421551	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Hac-H"	59.013851
"962914"	615.387851	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-H+NaCOOH"	66.980151
"115105"	583.377102	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+2Cl"	69.938804
"551747"	857.580952	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+2Cl"	69.938804
"1024922"	309.173252	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2Cl"	69.938804
"1244501"	627.326585	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Br"	78.918885
"1310231"	629.382572	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Cl+HCOOH"	80.974872
"1324084"	651.364529	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Cl+NaCOOH"	102.956829
"916967"	661.393286	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M-H+CF3COOH"	112.985586
"1291244"	697.369964	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Cl+CF3COOH"	148.962264
"1375113"	513.395024	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H-2H2O"	-35.012676
"1387508"	531.405	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H-H2O"	-17.0027
"286830"	1097.822676	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+H"	1.007276
"679251"	1646.230376	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+H"	1.007276
"1358879"	549.414976	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H"	1.007276
"132863"	549.414976	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+2H"	2.014552
"573518"	823.618826	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+2H"	2.014552
"1045595"	275.211126	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2H"	2.014552
"210222"	366.612409333333	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+3H"	3.021828
"654157"	549.414976	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+3H"	3.021828
"1170094"	183.809842666667	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+3H"	3.021828
"428992"	1114.849223	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+NH4"	18.033823
"800802"	1663.256923	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+NH4"	18.033823
"1682676"	566.441523	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+NH4"	18.033823
"331683"	557.9282495	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+H+NH4"	19.041099
"727024"	832.1320995	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+H+NH4"	19.041099
"1479752"	283.7243995	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H+NH4"	19.041099
"397338"	1119.804618	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+Na"	22.989218
"755413"	1668.212318	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+Na"	22.989218
"1605333"	571.396918	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Na"	22.989218
"315372"	560.405947	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+H+Na"	23.996494
"710342"	834.609797	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+H+Na"	23.996494
"1467080"	286.202097	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H+Na"	23.996494
"1055953"	191.137156666667	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2H+Na"	25.00377
"1260912"	581.441186	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+CH3OH+H"	33.033486
"382772"	1135.778558	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+K"	38.963158
"751781"	1684.186258	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+K"	38.963158
"1553106"	587.370858	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+K"	38.963158
"312473"	568.392917	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+H+K"	39.970434
"704894"	842.596767	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+H+K"	39.970434
"1459808"	294.189067	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H+K"	39.970434
"248410"	1138.849226	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+ACN+H"	42.033826
"1221117"	590.441526	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+ACN+H"	42.033826
"1203178"	295.724401	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+ACN+2H"	43.041102
"196049"	1141.78656	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+2Na-H"	44.97116
"634881"	1690.19426	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+2Na-H"	44.97116
"1135472"	593.37886	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2Na-H"	44.97116
"178037"	571.396918	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+2Na"	45.978436
"616139"	845.600768	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+2Na"	45.978436
"1125847"	297.193068	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2Na"	45.978436
"1403542"	198.464470666667	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H+2Na"	46.985712
"1435658"	595.420446	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H+HCOOH"	47.012746
"226446"	576.42994	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+3H2O+2H"	56.04448
"1518518"	609.47249	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+IsoProp+H"	61.06479
"416748"	579.383888	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+Na+K"	61.952376
"775190"	853.587738	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+Na+K"	61.952376
"1673712"	305.180038	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Na+K"	61.952376
"255860"	1160.831168	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+ACN+Na"	64.015768
"1230027"	612.423468	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+ACN+Na"	64.015768
"1717453"	612.446993	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+NH4+HCOOH"	64.039293
"1183173"	205.791784666667	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+3Na"	68.967654
"1652336"	617.402388	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Na+HCOOH"	68.994688
"164300"	1173.73444	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+2K-H"	76.91904
"602767"	1722.14214	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+2K-H"	76.91904
"1090195"	625.32674	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2K-H"	76.91904
"144824"	587.370858	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"2M+2K"	77.926316
"582437"	861.574708	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"3M+2K"	77.926316
"1071815"	313.167008	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2K"	77.926316
"1103204"	627.341292	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2K+H"	78.933592
"1339587"	627.428907	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+DMSO+H"	79.021207
"1010311"	631.468076	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2ACN+H"	83.060376
"1527338"	632.461708	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+IsoProp+Na+H"	84.054008
"991598"	316.237676	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+2ACN+2H"	84.067652
"1590477"	633.376328	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+K+HCOOH"	84.968628
"1418325"	663.407838	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+H+CF3COOH"	115.000138
"1149343"	336.750951	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+3ACN+2H"	125.094202
"1699263"	680.434385	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+NH4+CF3COOH"	132.026685
"1639289"	685.38978	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+Na+CF3COOH"	136.98208
"1580408"	701.36372	"C03855"	"Cholesteryl-beta-D-glucoside"	"C33H56O6"	"548.4077"	"M+K+CF3COOH"	152.95602
"810775"	463.3509	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M"	0
"978840"	444.33251	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-H2O-H"	-19.01839
"69271"	307.893324	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M-3H"	-3.021828
"509926"	462.343624	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M-3H"	-3.021828
"881531"	153.443024	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-3H"	-3.021828
"6304"	462.343624	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M-2H"	-2.014552
"451340"	694.019074	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M-2H"	-2.014552
"821488"	230.668174	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-2H"	-2.014552
"89133"	925.694524	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M-H"	-1.007276
"530516"	1389.045424	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M-H"	-1.007276
"905401"	462.343624	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-H"	-1.007276
"51029"	942.721071	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M-2H+NH4"	16.019271
"497155"	1406.071971	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M-2H+NH4"	16.019271
"869487"	479.370171	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-2H+NH4"	16.019271
"34107"	947.676466	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M-2H+Na"	20.974666
"476952"	1411.027366	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M-2H+Na"	20.974666
"855846"	484.325566	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-2H+Na"	20.974666
"1627569"	484.325566	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Na-2H"	20.974666
"103005"	480.331963	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M-H+Cl"	33.962126
"543656"	712.007413	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M-H+Cl"	33.962126
"934985"	248.656513	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-H+Cl"	33.962126
"277915"	961.671202	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+Cl"	34.969402
"663777"	1425.022102	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+Cl"	34.969402
"1279459"	498.320302	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Cl"	34.969402
"20919"	963.650406	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M-2H+K"	36.948606
"460478"	1427.001306	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M-2H+K"	36.948606
"839376"	500.299506	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-2H+K"	36.948606
"1558490"	500.299506	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+K-2H"	36.948606
"946373"	508.349094	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-H+HCOOH"	44.998194
"367868"	971.700001	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+HCOOH-H"	44.998201
"349567"	985.715651	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+Hac-H"	59.013851
"1498764"	522.364751	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Hac-H"	59.013851
"963024"	530.331051	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-H+NaCOOH"	66.980151
"117037"	498.320302	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+2Cl"	69.938804
"551248"	729.995752	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+2Cl"	69.938804
"1025761"	266.644852	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2Cl"	69.938804
"1244975"	542.269785	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Br"	78.918885
"1308518"	544.325772	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Cl+HCOOH"	80.974872
"1321277"	566.307729	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Cl+NaCOOH"	102.956829
"914524"	576.336486	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M-H+CF3COOH"	112.985586
"1289532"	612.313164	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Cl+CF3COOH"	148.962264
"1375220"	428.338224	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H-2H2O"	-35.012676
"1387253"	446.3482	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H-H2O"	-17.0027
"284387"	927.709076	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+H"	1.007276
"677537"	1391.059976	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+H"	1.007276
"1354616"	464.358176	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H"	1.007276
"131877"	464.358176	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+2H"	2.014552
"572535"	696.033626	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+2H"	2.014552
"1042425"	232.682726	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2H"	2.014552
"210332"	309.907876	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+3H"	3.021828
"648800"	464.358176	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+3H"	3.021828
"1165100"	155.457576	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+3H"	3.021828
"426186"	944.735623	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+NH4"	18.033823
"792285"	1408.086523	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+NH4"	18.033823
"1683516"	481.384723	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+NH4"	18.033823
"330822"	472.8714495	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+H+NH4"	19.041099
"724217"	704.5468995	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+H+NH4"	19.041099
"1478160"	241.1959995	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H+NH4"	19.041099
"397448"	949.691018	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+Na"	22.989218
"754789"	1413.041918	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+Na"	22.989218
"1603497"	486.340118	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Na"	22.989218
"315233"	475.349147	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+H+Na"	23.996494
"708628"	707.024597	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+H+Na"	23.996494
"1465004"	243.673697	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H+Na"	23.996494
"1054604"	162.78489	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2H+Na"	25.00377
"1259565"	496.384386	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+CH3OH+H"	33.033486
"382882"	965.664958	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+K"	38.963158
"751526"	1429.015858	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+K"	38.963158
"1551393"	502.314058	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+K"	38.963158
"311852"	483.336117	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+H+K"	39.970434
"699899"	715.011567	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+H+K"	39.970434
"1456999"	251.660667	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H+K"	39.970434
"246694"	968.735626	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+ACN+H"	42.033826
"1219403"	505.384726	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+ACN+H"	42.033826
"1200007"	253.196001	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+ACN+2H"	43.041102
"190323"	971.67296	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+2Na-H"	44.97116
"630616"	1435.02386	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+2Na-H"	44.97116
"1132542"	508.32206	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2Na-H"	44.97116
"178147"	486.340118	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+2Na"	45.978436
"618801"	718.015568	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+2Na"	45.978436
"1125591"	254.664668	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2Na"	45.978436
"1404745"	170.112204	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H+2Na"	46.985712
"1435768"	510.363646	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H+HCOOH"	47.012746
"223276"	491.37314	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+3H2O+2H"	56.04448
"1516805"	524.41569	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+IsoProp+H"	61.06479
"417585"	494.327088	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+Na+K"	61.952376
"773114"	726.002538	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+Na+K"	61.952376
"1672726"	262.651638	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Na+K"	61.952376
"255967"	990.717568	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+ACN+Na"	64.015768
"1231960"	527.366668	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+ACN+Na"	64.015768
"1715742"	527.390193	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+NH4+HCOOH"	64.039293
"1183283"	177.439518	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+3Na"	68.967654
"1651717"	532.345588	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Na+HCOOH"	68.994688
"160766"	1003.62084	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+2K-H"	76.91904
"599232"	1466.97174	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+2K-H"	76.91904
"1085566"	540.26994	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2K-H"	76.91904
"143111"	502.314058	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"2M+2K"	77.926316
"581937"	733.989508	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"3M+2K"	77.926316
"1071195"	270.638608	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2K"	77.926316
"1103314"	542.284492	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2K+H"	78.933592
"1338238"	542.372107	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+DMSO+H"	79.021207
"1008235"	546.411276	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2ACN+H"	83.060376
"1527449"	547.404908	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+IsoProp+Na+H"	84.054008
"991709"	273.709276	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+2ACN+2H"	84.067652
"1590587"	548.319528	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+K+HCOOH"	84.968628
"1417341"	578.351038	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+H+CF3COOH"	115.000138
"1147995"	294.222551	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+3ACN+2H"	125.094202
"1699373"	595.377585	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+NH4+CF3COOH"	132.026685
"1639399"	600.33298	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+Na+CF3COOH"	136.98208
"1580518"	616.30692	"C03858"	"D-Glucosyldihydrosphingosine"	"C24H49NO7"	"463.3509"	"M+K+CF3COOH"	152.95602
"809792"	423.1866	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M"	0
"981139"	404.16821	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-H2O-H"	-19.01839
"68289"	281.117124	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M-3H"	-3.021828
"511131"	422.179324	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M-3H"	-3.021828
"890028"	140.054924	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-3H"	-3.021828
"8609"	422.179324	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M-2H"	-2.014552
"453637"	633.772624	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M-2H"	-2.014552
"821598"	210.586024	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-2H"	-2.014552
"89243"	845.365924	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M-H"	-1.007276
"529897"	1268.552524	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M-H"	-1.007276
"908430"	422.179324	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-H"	-1.007276
"56611"	862.392471	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M-2H+NH4"	16.019271
"492891"	1285.579071	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M-2H+NH4"	16.019271
"873976"	439.205871	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-2H+NH4"	16.019271
"43700"	867.347866	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M-2H+Na"	20.974666
"479251"	1290.534466	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M-2H+Na"	20.974666
"863250"	444.161266	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-2H+Na"	20.974666
"1626586"	444.161266	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Na-2H"	20.974666
"100927"	440.167663	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M-H+Cl"	33.962126
"544861"	651.760963	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M-H+Cl"	33.962126
"936188"	228.574363	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-H+Cl"	33.962126
"279118"	881.342602	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+Cl"	34.969402
"668260"	1304.529202	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+Cl"	34.969402
"1282848"	458.156002	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Cl"	34.969402
"24310"	883.321806	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M-2H+K"	36.948606
"463872"	1306.508406	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M-2H+K"	36.948606
"843861"	460.135206	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-2H+K"	36.948606
"1560787"	460.135206	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+K-2H"	36.948606
"948670"	468.184794	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-H+HCOOH"	44.998194
"369071"	891.371401	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+HCOOH-H"	44.998201
"354050"	905.387051	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+Hac-H"	59.013851
"1498874"	482.200451	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Hac-H"	59.013851
"967147"	490.166751	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-H+NaCOOH"	66.980151
"117146"	458.156002	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+2Cl"	69.938804
"553062"	669.749302	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+2Cl"	69.938804
"1028788"	246.562702	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2Cl"	69.938804
"1246910"	502.105485	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Br"	78.918885
"1311911"	504.161472	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Cl+HCOOH"	80.974872
"1322481"	526.143429	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Cl+NaCOOH"	102.956829
"914632"	536.172186	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M-H+CF3COOH"	112.985586
"1290247"	572.148864	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Cl+CF3COOH"	148.962264
"1368044"	388.173924	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H-2H2O"	-35.012676
"1385542"	406.1839	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H-H2O"	-17.0027
"289238"	847.380476	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+H"	1.007276
"679471"	1270.567076	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+H"	1.007276
"1360195"	424.193876	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H"	1.007276
"131988"	424.193876	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+2H"	2.014552
"569728"	635.787176	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+2H"	2.014552
"1040717"	212.600576	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2H"	2.014552
"209349"	283.131676	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+3H"	3.021828
"653282"	424.193876	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+3H"	3.021828
"1165941"	142.069476	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+3H"	3.021828
"430307"	864.407023	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+NH4"	18.033823
"787291"	1287.593623	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+NH4"	18.033823
"1683625"	441.220423	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+NH4"	18.033823
"330120"	432.7071495	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+H+NH4"	19.041099
"722897"	644.3004495	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+H+NH4"	19.041099
"1477041"	221.1138495	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H+NH4"	19.041099
"392977"	869.362418	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+Na"	22.989218
"754334"	1292.549018	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+Na"	22.989218
"1602893"	446.175818	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Na"	22.989218
"314862"	435.184847	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+H+Na"	23.996494
"710203"	646.778147	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+H+Na"	23.996494
"1471678"	223.591547	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H+Na"	23.996494
"1060550"	149.39679	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2H+Na"	25.00377
"1260040"	456.220086	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+CH3OH+H"	33.033486
"384081"	885.336358	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+K"	38.963158
"752731"	1308.522958	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+K"	38.963158
"1546038"	462.149758	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+K"	38.963158
"311598"	443.171817	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+H+K"	39.970434
"702926"	654.765117	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+H+K"	39.970434
"1458204"	231.578517	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H+K"	39.970434
"245713"	888.407026	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+ACN+H"	42.033826
"1217329"	465.220426	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+ACN+H"	42.033826
"1197929"	233.113851	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+ACN+2H"	43.041102
"190069"	891.34436	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+2Na-H"	44.97116
"631455"	1314.53096	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+2Na-H"	44.97116
"1133140"	468.15776	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2Na-H"	44.97116
"175460"	446.175818	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+2Na"	45.978436
"623290"	657.769118	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+2Na"	45.978436
"1120235"	234.582518	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2Na"	45.978436
"1408132"	156.724104	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H+2Na"	46.985712
"1438062"	470.199346	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H+HCOOH"	47.012746
"229945"	451.20884	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+3H2O+2H"	56.04448
"1515821"	484.25139	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+IsoProp+H"	61.06479
"414410"	454.162788	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+Na+K"	61.952376
"777598"	665.756088	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+Na+K"	61.952376
"1666278"	242.569488	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Na+K"	61.952376
"254256"	910.388968	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+ACN+Na"	64.015768
"1230246"	487.202368	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+ACN+Na"	64.015768
"1720954"	487.225893	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+NH4+HCOOH"	64.039293
"1179748"	164.051418	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+3Na"	68.967654
"1651828"	492.181288	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Na+HCOOH"	68.994688
"157837"	923.29224	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+2K-H"	76.91904
"600801"	1346.47884	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+2K-H"	76.91904
"1085677"	500.10564	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2K-H"	76.91904
"141879"	462.149758	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"2M+2K"	77.926316
"582050"	673.743058	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"3M+2K"	77.926316
"1069603"	250.556458	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2K"	77.926316
"1100501"	502.120192	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2K+H"	78.933592
"1337745"	502.207807	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+DMSO+H"	79.021207
"1010529"	506.246976	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2ACN+H"	83.060376
"1527194"	507.240608	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+IsoProp+Na+H"	84.054008
"990723"	253.627126	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+2ACN+2H"	84.067652
"1589970"	508.155228	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+K+HCOOH"	84.968628
"1418544"	538.186738	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+H+CF3COOH"	115.000138
"1149198"	274.140401	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+3ACN+2H"	125.094202
"1700577"	555.213285	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+NH4+CF3COOH"	132.026685
"1642792"	560.16868	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+Na+CF3COOH"	136.98208
"1580629"	576.14262	"C03860"	"Deaminohydroxyblasticidin S"	"C17H25N7O6"	"423.1866"	"M+K+CF3COOH"	152.95602
"809902"	214.0266	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M"	0
"981249"	195.00821	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-H2O-H"	-19.01839
"65119"	141.677124	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M-3H"	-3.021828
"503950"	213.019324	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M-3H"	-3.021828
"882483"	70.334924	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-3H"	-3.021828
"8719"	213.019324	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M-2H"	-2.014552
"451559"	320.032624	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M-2H"	-2.014552
"827175"	106.006024	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-2H"	-2.014552
"82792"	427.045924	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M-H"	-1.007276
"527818"	641.072524	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M-H"	-1.007276
"908540"	213.019324	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-H"	-1.007276
"56721"	444.072471	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M-2H+NH4"	16.019271
"491908"	658.099071	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M-2H+NH4"	16.019271
"876273"	230.045871	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-2H+NH4"	16.019271
"44174"	449.027866	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M-2H+Na"	20.974666
"482641"	663.054466	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M-2H+Na"	20.974666
"860443"	235.001266	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-2H+Na"	20.974666
"1628883"	235.001266	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Na-2H"	20.974666
"102130"	231.007663	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M-H+Cl"	33.962126
"544971"	338.020963	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M-H+Cl"	33.962126
"936298"	123.994363	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-H+Cl"	33.962126
"278134"	463.022602	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+Cl"	34.969402
"668369"	677.049202	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+Cl"	34.969402
"1281865"	248.996002	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Cl"	34.969402
"24420"	465.001806	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M-2H+K"	36.948606
"462889"	679.028406	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M-2H+K"	36.948606
"841784"	250.975206	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-2H+K"	36.948606
"1559804"	250.975206	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+K-2H"	36.948606
"948778"	259.024794	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-H+HCOOH"	44.998194
"366994"	473.051401	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+HCOOH-H"	44.998201
"353067"	487.067051	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+Hac-H"	59.013851
"1496068"	273.040451	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Hac-H"	59.013851
"967257"	281.006751	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-H+NaCOOH"	66.980151
"117256"	248.996002	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+2Cl"	69.938804
"553172"	356.009302	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+2Cl"	69.938804
"1027805"	141.982702	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2Cl"	69.938804
"1248479"	292.945485	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Br"	78.918885
"1315302"	295.001472	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Cl+HCOOH"	80.974872
"1323684"	316.983429	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Cl+NaCOOH"	102.956829
"914742"	327.012186	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M-H+CF3COOH"	112.985586
"1290358"	362.988864	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Cl+CF3COOH"	148.962264
"1367426"	179.013924	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H-2H2O"	-35.012676
"1388569"	197.0239	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H-H2O"	-17.0027
"289348"	429.060476	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+H"	1.007276
"680676"	643.087076	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+H"	1.007276
"1360305"	215.033876	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H"	1.007276
"133191"	215.033876	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+2H"	2.014552
"568381"	322.047176	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+2H"	2.014552
"1040464"	108.020576	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2H"	2.014552
"207273"	143.691676	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+3H"	3.021828
"653392"	215.033876	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+3H"	3.021828
"1170425"	72.349476	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+3H"	3.021828
"431511"	446.087023	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+NH4"	18.033823
"786673"	660.113623	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+NH4"	18.033823
"1683004"	232.060423	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+NH4"	18.033823
"330226"	223.5471495	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+H+NH4"	19.041099
"723170"	330.5604495	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+H+NH4"	19.041099
"1477108"	116.5338495	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H+NH4"	19.041099
"393289"	451.042418	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+Na"	22.989218
"754471"	665.069018	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+Na"	22.989218
"1602934"	237.015818	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Na"	22.989218
"314469"	226.024847	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+H+Na"	23.996494
"707390"	333.038147	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+H+Na"	23.996494
"1464134"	119.011547	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H+Na"	23.996494
"1055192"	79.67679	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2H+Na"	25.00377
"1261243"	247.060086	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+CH3OH+H"	33.033486
"377668"	467.016358	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+K"	38.963158
"745187"	681.042958	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+K"	38.963158
"1543961"	252.989758	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+K"	38.963158
"305511"	234.011817	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+H+K"	39.970434
"700120"	341.025117	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+H+K"	39.970434
"1452846"	126.998517	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H+K"	39.970434
"243636"	470.087026	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+ACN+H"	42.033826
"1217437"	256.060426	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+ACN+H"	42.033826
"1204600"	128.533851	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+ACN+2H"	43.041102
"190912"	473.02436	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+2Na-H"	44.97116
"630472"	687.05096	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+2Na-H"	44.97116
"1131914"	258.99776	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2Na-H"	44.97116
"173990"	237.015818	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+2Na"	45.978436
"619024"	344.029118	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+2Na"	45.978436
"1126178"	130.002518	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2Na"	45.978436
"1409337"	87.004104	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H+2Na"	46.985712
"1438902"	261.039346	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H+HCOOH"	47.012746
"231150"	242.04884	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+3H2O+2H"	56.04448
"1515931"	275.09139	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+IsoProp+H"	61.06479
"418531"	245.002788	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+Na+K"	61.952376
"776615"	352.016088	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+Na+K"	61.952376
"1667846"	137.989488	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Na+K"	61.952376
"253273"	492.068968	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+ACN+Na"	64.015768
"1231449"	278.042368	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+ACN+Na"	64.015768
"1719972"	278.065893	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+NH4+HCOOH"	64.039293
"1186421"	94.331418	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+3Na"	68.967654
"1651938"	283.021288	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Na+HCOOH"	68.994688
"158800"	504.97224	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+2K-H"	76.91904
"601642"	718.99884	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+2K-H"	76.91904
"1085059"	290.94564	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2K-H"	76.91904
"142234"	252.989758	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"2M+2K"	77.926316
"582526"	360.003058	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"3M+2K"	77.926316
"1068863"	145.976458	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2K"	77.926316
"1101342"	292.960192	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2K+H"	78.933592
"1338098"	293.047807	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+DMSO+H"	79.021207
"1011731"	297.086976	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2ACN+H"	83.060376
"1525846"	298.080608	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+IsoProp+Na+H"	84.054008
"990265"	149.047126	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+2ACN+2H"	84.067652
"1592996"	298.995228	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+K+HCOOH"	84.968628
"1416467"	329.026738	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+H+CF3COOH"	115.000138
"1150037"	169.560401	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+3ACN+2H"	125.094202
"1700687"	346.053285	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+NH4+CF3COOH"	132.026685
"1646182"	351.00868	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+Na+CF3COOH"	136.98208
"1580739"	366.98262	"C03861"	"Dibenzo14dioxin-23-dione;Diphenylenedioxide-23-quinone"	"C12H6O4"	"214.0266"	"M+K+CF3COOH"	152.95602
"803451"	160.1099	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M"	0
"981361"	141.09151	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H2O-H"	-19.01839
"72885"	105.732657333333	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-3H"	-3.021828
"505883"	159.102624	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-3H"	-3.021828
"888062"	52.3626906666667	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-3H"	-3.021828
"9924"	159.102624	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H"	-2.014552
"450577"	239.157574	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H"	-2.014552
"827286"	79.047674	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H"	-2.014552
"83996"	319.212524	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-H"	-1.007276
"520276"	479.322424	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-H"	-1.007276
"907922"	159.102624	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H"	-1.007276
"57925"	336.239071	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H+NH4"	16.019271
"489829"	496.348971	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H+NH4"	16.019271
"866538"	176.129171	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H+NH4"	16.019271
"31528"	341.194466	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H+Na"	20.974666
"478376"	501.304366	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H+Na"	20.974666
"851805"	181.084566	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H+Na"	20.974666
"1624620"	181.084566	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na-2H"	20.974666
"106249"	177.090963	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-H+Cl"	33.962126
"544718"	257.145913	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-H+Cl"	33.962126
"935318"	97.036013	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+Cl"	33.962126
"272780"	355.189202	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Cl"	34.969402
"660498"	515.299102	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+Cl"	34.969402
"1279789"	195.079302	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl"	34.969402
"20158"	357.168406	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H+K"	36.948606
"460812"	517.278306	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H+K"	36.948606
"837520"	197.058506	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H+K"	36.948606
"1559915"	197.058506	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K-2H"	36.948606
"948890"	205.108094	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+HCOOH"	44.998194
"367105"	365.218001	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+HCOOH-H"	44.998201
"353179"	379.233651	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Hac-H"	59.013851
"1495083"	219.123751	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Hac-H"	59.013851
"967367"	227.090051	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+NaCOOH"	66.980151
"115179"	195.079302	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2Cl"	69.938804
"553647"	275.134252	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2Cl"	69.938804
"1022204"	115.024352	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2Cl"	69.938804
"1246402"	239.028785	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Br"	78.918885
"1304633"	241.084772	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl+HCOOH"	80.974872
"1322701"	263.066729	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl+NaCOOH"	102.956829
"915582"	273.095486	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+CF3COOH"	112.985586
"1297391"	309.072164	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl+CF3COOH"	148.962264
"1379927"	125.097224	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H-2H2O"	-35.012676
"1384303"	143.1072	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H-H2O"	-17.0027
"288364"	321.227076	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H"	1.007276
"682972"	481.336976	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H"	1.007276
"1357134"	161.117176	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H"	1.007276
"131114"	161.117176	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2H"	2.014552
"570677"	241.172126	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2H"	2.014552
"1039483"	81.062226	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2H"	2.014552
"206044"	107.747209333333	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+3H"	3.021828
"645120"	161.117176	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+3H"	3.021828
"1172722"	54.3772426666667	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+3H"	3.021828
"432714"	338.253623	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+NH4"	18.033823
"786538"	498.363523	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+NH4"	18.033823
"1682378"	178.143723	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+NH4"	18.033823
"330296"	169.6304495	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H+NH4"	19.041099
"723575"	249.6853995	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H+NH4"	19.041099
"1477264"	89.5754995	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+NH4"	19.041099
"392998"	343.209018	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Na"	22.989218
"754388"	503.318918	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+Na"	22.989218
"1603218"	183.099118	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na"	22.989218
"314581"	172.108147	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H+Na"	23.996494
"707490"	252.163097	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H+Na"	23.996494
"1461675"	92.053197	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+Na"	23.996494
"1054205"	61.7045566666667	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2H+Na"	25.00377
"1259529"	193.143386	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+CH3OH+H"	33.033486
"387580"	359.182958	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+K"	38.963158
"744203"	519.292858	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+K"	38.963158
"1544068"	199.073058	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K"	38.963158
"303435"	180.095117	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H+K"	39.970434
"698042"	260.150067	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H+K"	39.970434
"1454049"	100.040167	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+K"	39.970434
"240465"	362.253626	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+ACN+H"	42.033826
"1215361"	202.143726	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+ACN+H"	42.033826
"1196328"	101.575501	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+ACN+2H"	43.041102
"190651"	365.19096	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2Na-H"	44.97116
"629851"	525.30086	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2Na-H"	44.97116
"1132141"	205.08106	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2Na-H"	44.97116
"176288"	183.099118	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2Na"	45.978436
"615852"	263.154068	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2Na"	45.978436
"1118269"	103.044168	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2Na"	45.978436
"1405073"	69.0318706666667	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+2Na"	46.985712
"1433908"	207.122646	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+HCOOH"	47.012746
"230165"	188.13214	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+3H2O+2H"	56.04448
"1516040"	221.17469	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+IsoProp+H"	61.06479
"413543"	191.086088	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Na+K"	61.952376
"770530"	271.141038	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+Na+K"	61.952376
"1665889"	111.031138	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na+K"	61.952376
"255207"	384.235568	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+ACN+Na"	64.015768
"1227914"	224.125668	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+ACN+Na"	64.015768
"1720082"	224.149193	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+NH4+HCOOH"	64.039293
"1178622"	76.3591846666667	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+3Na"	68.967654
"1650954"	229.104588	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na+HCOOH"	68.994688
"159639"	397.13884	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2K-H"	76.91904
"599926"	557.24874	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2K-H"	76.91904
"1085044"	237.02894	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2K-H"	76.91904
"141985"	199.073058	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2K"	77.926316
"582998"	279.128008	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2K"	77.926316
"1069339"	119.018108	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2K"	77.926316
"1101089"	239.043492	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2K+H"	78.933592
"1338208"	239.131107	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+DMSO+H"	79.021207
"1007834"	243.170276	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2ACN+H"	83.060376
"1526687"	244.163908	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+IsoProp+Na+H"	84.054008
"993136"	122.088776	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2ACN+2H"	84.067652
"1590919"	245.078528	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K+HCOOH"	84.968628
"1416578"	275.110038	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+CF3COOH"	115.000138
"1153434"	142.602051	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+3ACN+2H"	125.094202
"1707360"	292.136585	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+NH4+CF3COOH"	132.026685
"1646292"	297.09198	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na+CF3COOH"	136.98208
"1580849"	313.06592	"C03864"	"Ethyl (R)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K+CF3COOH"	152.95602
"807935"	160.1099	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M"	0
"977459"	141.09151	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H2O-H"	-19.01839
"70806"	105.732657333333	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-3H"	-3.021828
"505993"	159.102624	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-3H"	-3.021828
"888172"	52.3626906666667	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-3H"	-3.021828
"8941"	159.102624	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H"	-2.014552
"447407"	239.157574	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H"	-2.014552
"827396"	79.047674	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H"	-2.014552
"84106"	319.212524	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-H"	-1.007276
"524759"	479.322424	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-H"	-1.007276
"905845"	159.102624	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H"	-1.007276
"56942"	336.239071	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H+NH4"	16.019271
"495407"	496.348971	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H+NH4"	16.019271
"865068"	176.129171	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H+NH4"	16.019271
"37830"	341.194466	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H+Na"	20.974666
"481766"	501.304366	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H+Na"	20.974666
"855195"	181.084566	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H+Na"	20.974666
"1622543"	181.084566	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na-2H"	20.974666
"104536"	177.090963	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-H+Cl"	33.962126
"543005"	257.145913	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-H+Cl"	33.962126
"936521"	97.036013	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+Cl"	33.962126
"273983"	355.189202	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Cl"	34.969402
"664218"	515.299102	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+Cl"	34.969402
"1279900"	195.079302	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl"	34.969402
"21362"	357.168406	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M-2H+K"	36.948606
"459099"	517.278306	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M-2H+K"	36.948606
"836900"	197.058506	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-2H+K"	36.948606
"1558932"	197.058506	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K-2H"	36.948606
"946447"	205.108094	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+HCOOH"	44.998194
"367216"	365.218001	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+HCOOH-H"	44.998201
"354382"	379.233651	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Hac-H"	59.013851
"1496288"	219.123751	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Hac-H"	59.013851
"962739"	227.090051	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+NaCOOH"	66.980151
"115291"	195.079302	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2Cl"	69.938804
"554485"	275.134252	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2Cl"	69.938804
"1027659"	115.024352	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2Cl"	69.938804
"1246874"	239.028785	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Br"	78.918885
"1313335"	241.084772	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl+HCOOH"	80.974872
"1328642"	263.066729	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl+NaCOOH"	102.956829
"916421"	273.095486	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M-H+CF3COOH"	112.985586
"1294226"	309.072164	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Cl+CF3COOH"	148.962264
"1371658"	125.097224	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H-2H2O"	-35.012676
"1389880"	143.1072	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H-H2O"	-17.0027
"291752"	321.227076	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H"	1.007276
"685267"	481.336976	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H"	1.007276
"1353961"	161.117176	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H"	1.007276
"126848"	161.117176	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2H"	2.014552
"574067"	241.172126	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2H"	2.014552
"1043961"	81.062226	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2H"	2.014552
"209680"	107.747209333333	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+3H"	3.021828
"652522"	161.117176	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+3H"	3.021828
"1173927"	54.3772426666667	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+3H"	3.021828
"433920"	338.253623	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+NH4"	18.033823
"790539"	498.363523	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+NH4"	18.033823
"1682252"	178.143723	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+NH4"	18.033823
"330208"	169.6304495	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H+NH4"	19.041099
"723198"	249.6853995	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H+NH4"	19.041099
"1477866"	89.5754995	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+NH4"	19.041099
"393993"	343.209018	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Na"	22.989218
"754744"	503.318918	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+Na"	22.989218
"1603245"	183.099118	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na"	22.989218
"314702"	172.108147	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H+Na"	23.996494
"707852"	252.163097	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H+Na"	23.996494
"1461914"	92.053197	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+Na"	23.996494
"1055411"	61.7045566666667	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2H+Na"	25.00377
"1260735"	193.143386	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+CH3OH+H"	33.033486
"383318"	359.182958	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+K"	38.963158
"747594"	519.292858	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+K"	38.963158
"1545274"	199.073058	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K"	38.963158
"303545"	180.095117	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+H+K"	39.970434
"699246"	260.150067	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+H+K"	39.970434
"1454160"	100.040167	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+K"	39.970434
"243856"	362.253626	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+ACN+H"	42.033826
"1217658"	202.143726	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+ACN+H"	42.033826
"1197166"	101.575501	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+ACN+2H"	43.041102
"193316"	365.19096	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2Na-H"	44.97116
"631784"	525.30086	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2Na-H"	44.97116
"1132132"	205.08106	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2Na-H"	44.97116
"176027"	183.099118	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2Na"	45.978436
"614620"	263.154068	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2Na"	45.978436
"1121659"	103.044168	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2Na"	45.978436
"1401902"	69.0318706666667	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+2Na"	46.985712
"1434018"	207.122646	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+HCOOH"	47.012746
"230274"	188.13214	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+3H2O+2H"	56.04448
"1516150"	221.17469	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+IsoProp+H"	61.06479
"419120"	191.086088	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+Na+K"	61.952376
"779024"	271.141038	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+Na+K"	61.952376
"1673170"	111.031138	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na+K"	61.952376
"258596"	384.235568	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+ACN+Na"	64.015768
"1234585"	224.125668	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+ACN+Na"	64.015768
"1726388"	224.149193	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+NH4+HCOOH"	64.039293
"1187735"	76.3591846666667	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+3Na"	68.967654
"1655442"	229.104588	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na+HCOOH"	68.994688
"166675"	397.13884	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2K-H"	76.91904
"601861"	557.24874	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2K-H"	76.91904
"1086735"	237.02894	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2K-H"	76.91904
"143917"	199.073058	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"2M+2K"	77.926316
"586393"	279.128008	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"3M+2K"	77.926316
"1072730"	119.018108	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2K"	77.926316
"1102295"	239.043492	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2K+H"	78.933592
"1338318"	239.131107	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+DMSO+H"	79.021207
"1009768"	243.170276	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2ACN+H"	83.060376
"1527161"	244.163908	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+IsoProp+Na+H"	84.054008
"995432"	122.088776	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+2ACN+2H"	84.067652
"1591029"	245.078528	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K+HCOOH"	84.968628
"1416688"	275.110038	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+H+CF3COOH"	115.000138
"1153544"	142.602051	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+3ACN+2H"	125.094202
"1705283"	292.136585	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+NH4+CF3COOH"	132.026685
"1646402"	297.09198	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+Na+CF3COOH"	136.98208
"1580959"	313.06592	"C03865"	"Ethyl (S)-3-hydroxyhexanoate"	"C8H16O3"	"160.1099"	"M+K+CF3COOH"	152.95602
"804765"	337.1162	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M"	0
"978300"	318.09781	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-H2O-H"	-19.01839
"65449"	223.736857333333	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M-3H"	-3.021828
"517042"	336.108924	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M-3H"	-3.021828
"891563"	111.364790666667	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-3H"	-3.021828
"5772"	336.108924	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M-2H"	-2.014552
"447518"	504.667024	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M-2H"	-2.014552
"829695"	167.550824	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-2H"	-2.014552
"83124"	673.225124	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M-H"	-1.007276
"524869"	1010.341324	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M-H"	-1.007276
"909966"	336.108924	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-H"	-1.007276
"58147"	690.251671	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M-2H+NH4"	16.019271
"493331"	1027.367871	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M-2H+NH4"	16.019271
"866760"	353.135471	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-2H+NH4"	16.019271
"39035"	695.207066	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M-2H+Na"	20.974666
"479690"	1032.323266	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M-2H+Na"	20.974666
"854213"	358.090866	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-2H+Na"	20.974666
"1622653"	358.090866	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Na-2H"	20.974666
"104646"	354.097263	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M-H+Cl"	33.962126
"540929"	522.655363	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M-H+Cl"	33.962126
"935537"	185.539163	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-H+Cl"	33.962126
"273001"	709.201802	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+Cl"	34.969402
"661411"	1046.318002	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+Cl"	34.969402
"1276732"	372.085602	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Cl"	34.969402
"21475"	711.181006	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M-2H+K"	36.948606
"462127"	1048.297206	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M-2H+K"	36.948606
"837741"	374.064806	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-2H+K"	36.948606
"1559043"	374.064806	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+K-2H"	36.948606
"946924"	382.114394	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-H+HCOOH"	44.998194
"367328"	719.230601	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+HCOOH-H"	44.998201
"351940"	733.246251	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+Hac-H"	59.013851
"1498222"	396.130051	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Hac-H"	59.013851
"966494"	404.096351	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-H+NaCOOH"	66.980151
"117588"	372.085602	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+2Cl"	69.938804
"556055"	540.643702	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+2Cl"	69.938804
"1027042"	203.527502	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2Cl"	69.938804
"1248078"	416.035085	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Br"	78.918885
"1312716"	418.091072	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Cl+HCOOH"	80.974872
"1333127"	440.073029	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Cl+NaCOOH"	102.956829
"915803"	450.101786	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M-H+CF3COOH"	112.985586
"1294700"	486.078464	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Cl+CF3COOH"	148.962264
"1374685"	302.103524	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H-2H2O"	-35.012676
"1387804"	320.1135	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H-H2O"	-17.0027
"289677"	675.239676	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+H"	1.007276
"683192"	1012.355876	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+H"	1.007276
"1357353"	338.123476	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H"	1.007276
"130241"	338.123476	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+2H"	2.014552
"571991"	506.681576	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+2H"	2.014552
"1042981"	169.565376	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2H"	2.014552
"211977"	225.751409333333	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+3H"	3.021828
"652632"	338.123476	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+3H"	3.021828
"1169659"	113.379342666667	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+3H"	3.021828
"432935"	692.266223	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+NH4"	18.033823
"795022"	1029.382423	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+NH4"	18.033823
"1682363"	355.150023	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+NH4"	18.033823
"330886"	346.6367495	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+H+NH4"	19.041099
"723674"	515.1948495	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+H+NH4"	19.041099
"1477610"	178.0786495	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H+NH4"	19.041099
"393982"	697.221618	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+Na"	22.989218
"755219"	1034.337818	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+Na"	22.989218
"1602951"	360.105418	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Na"	22.989218
"316395"	349.114447	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+H+Na"	23.996494
"708452"	517.672547	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+H+Na"	23.996494
"1464463"	180.556347	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H+Na"	23.996494
"1059895"	120.706656666667	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2H+Na"	25.00377
"1265947"	370.149686	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+CH3OH+H"	33.033486
"384521"	713.195558	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+K"	38.963158
"743331"	1050.311758	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+K"	38.963158
"1547572"	376.079358	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+K"	38.963158
"308030"	357.101417	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+H+K"	39.970434
"697169"	525.659517	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+H+K"	39.970434
"1455366"	188.543317	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H+K"	39.970434
"243967"	716.266226	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+ACN+H"	42.033826
"1219956"	379.150026	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+ACN+H"	42.033826
"1199463"	190.078651	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+ACN+2H"	43.041102
"192334"	719.20356	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+2Na-H"	44.97116
"630554"	1056.31976	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+2Na-H"	44.97116
"1134305"	382.08736	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2Na-H"	44.97116
"176501"	360.105418	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+2Na"	45.978436
"614982"	528.663518	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+2Na"	45.978436
"1120677"	191.547318	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2Na"	45.978436
"1405292"	128.033970666667	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H+2Na"	46.985712
"1434128"	384.128946	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H+HCOOH"	47.012746
"223825"	365.13844	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+3H2O+2H"	56.04448
"1512980"	398.18099	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+IsoProp+H"	61.06479
"417043"	368.092388	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+Na+K"	61.952376
"776948"	536.650488	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+Na+K"	61.952376
"1674374"	199.534288	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Na+K"	61.952376
"256518"	738.248168	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+ACN+Na"	64.015768
"1234699"	401.131968	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+ACN+Na"	64.015768
"1720302"	401.155493	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+NH4+HCOOH"	64.039293
"1183472"	135.361284666667	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+3Na"	68.967654
"1652272"	406.110888	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Na+HCOOH"	68.994688
"162411"	751.15144	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+2K-H"	76.91904
"601969"	1088.26764	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+2K-H"	76.91904
"1086481"	414.03524	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2K-H"	76.91904
"143298"	376.079358	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"2M+2K"	77.926316
"583952"	544.637458	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"3M+2K"	77.926316
"1070288"	207.521258	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2K"	77.926316
"1102402"	416.049792	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2K+H"	78.933592
"1338069"	416.137407	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+DMSO+H"	79.021207
"1008786"	420.176576	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2ACN+H"	83.060376
"1528004"	421.170208	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+IsoProp+Na+H"	84.054008
"995543"	210.591926	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+2ACN+2H"	84.067652
"1588954"	422.084828	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+K+HCOOH"	84.968628
"1415705"	452.116338	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+H+CF3COOH"	115.000138
"1153654"	231.105201	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+3ACN+2H"	125.094202
"1704300"	469.142885	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+NH4+CF3COOH"	132.026685
"1646512"	474.09828	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+Na+CF3COOH"	136.98208
"1581071"	490.07222	"C03868"	"Indole-3-acetyl-myo-inositol;Indol-3-ylacetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol"	"C16H19NO7"	"337.1162"	"M+K+CF3COOH"	152.95602
"802689"	594.1585	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M"	0
"976949"	575.14011	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"65923"	395.098390666667	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"516059"	593.151224	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"891673"	197.045557333333	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"3696"	593.151224	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"448722"	890.230474	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"823245"	296.071974	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"81048"	1187.309724	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"523886"	1781.468224	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"906068"	593.151224	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"53885"	1204.336271	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"494535"	1798.494771	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"870151"	610.177771	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"36960"	1209.291666	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"478709"	1803.450166	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"856510"	615.133166	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1627137"	615.133166	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"104757"	611.139563	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"542133"	908.218813	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"935647"	314.060313	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"273110"	1223.286402	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"665533"	1817.444902	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1277935"	629.127902	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"21585"	1225.265606	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"462237"	1819.424106	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"836392"	631.107106	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1559517"	631.107106	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"945940"	639.156694	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"366709"	1233.315201	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"349861"	1247.330851	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1498696"	653.172351	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"964052"	661.138651	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"115875"	629.127902	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"556165"	926.207152	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1026421"	332.048652	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1247824"	673.077385	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1313555"	675.133372	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1333237"	697.115329	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"918100"	707.144086	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1294810"	743.120764	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1374065"	559.145824	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1391193"	577.1558	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"290880"	1189.324276	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"681117"	1783.482776	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1358557"	595.165776	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"130716"	595.165776	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"567362"	892.245026	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1039081"	298.086526	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"212087"	397.112942666667	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"651649"	595.165776	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1167582"	199.060109333333	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"431952"	1206.350823	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"792949"	1800.509323	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1689276"	612.192323	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"332818"	603.6790495	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"723904"	900.7582995	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1477555"	306.5997995	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"393726"	1211.306218	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"754558"	1805.464718	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1603224"	617.147718	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"317235"	606.156747	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"708927"	903.235997	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1466760"	309.077497	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1060006"	206.387423333333	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1267150"	627.191986	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"385723"	1227.280158	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"744534"	1821.438658	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1546589"	633.121658	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"309234"	614.143717	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"699465"	911.222967	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1455475"	317.064467	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"245168"	1230.350826	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1217878"	636.192326	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1205038"	318.599801	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"191348"	1233.28816	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"630543"	1827.44666	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1132956"	639.12966	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"176611"	617.147718	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"615089"	914.226968	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1120787"	320.068468	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1405402"	213.714737333333	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1432414"	641.171246	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"223935"	622.18074	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1509928"	655.22329	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"417153"	625.134688	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"779244"	922.213938	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1674484"	328.055438	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"256627"	1252.332768	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1232619"	658.174268	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1720412"	658.197793	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1187954"	221.042051333333	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1657847"	663.153188	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"163615"	1265.23604	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"602080"	1859.39454	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1086590"	671.07754	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"143045"	633.121658	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"586613"	930.200908	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1070761"	336.042408	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1103240"	673.092092	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1337328"	673.179707	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1008896"	677.218876	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1528114"	678.212508	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"994560"	339.113076	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1590156"	679.127128	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1415204"	709.158638	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1147928"	359.626351	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1704410"	726.185185	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1645529"	731.14058	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1581181"	747.11452	"C03870"	"Isoorientin 2-O-rhamnoside"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"802555"	189.0637	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M"	0
"982895"	170.04531	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-H2O-H"	-19.01839
"73326"	125.035190666667	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M-3H"	-3.021828
"515076"	188.056424	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M-3H"	-3.021828
"891790"	62.0139573333333	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-3H"	-3.021828
"5991"	188.056424	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M-2H"	-2.014552
"449927"	282.588274	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M-2H"	-2.014552
"823355"	93.524574	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-2H"	-2.014552
"84439"	377.120124	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M-H"	-1.007276
"530564"	566.183824	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M-H"	-1.007276
"902900"	188.056424	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-H"	-1.007276
"50102"	394.146671	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M-2H+NH4"	16.019271
"489177"	583.210371	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M-2H+NH4"	16.019271
"866977"	205.082971	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-2H+NH4"	16.019271
"33056"	399.102066	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M-2H+Na"	20.974666
"476629"	588.165766	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M-2H+Na"	20.974666
"850421"	210.038366	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-2H+Na"	20.974666
"1622869"	210.038366	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Na-2H"	20.974666
"101586"	206.044763	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M-H+Cl"	33.962126
"538960"	300.576613	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M-H+Cl"	33.962126
"935755"	111.512913	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-H+Cl"	33.962126
"271761"	413.096802	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+Cl"	34.969402
"664547"	602.160502	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+Cl"	34.969402
"1277316"	224.033102	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Cl"	34.969402
"22787"	415.076006	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M-2H+K"	36.948606
"462347"	604.139706	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M-2H+K"	36.948606
"837228"	226.012306	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-2H+K"	36.948606
"1560355"	226.012306	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+K-2H"	36.948606
"947145"	234.061894	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-H+HCOOH"	44.998194
"365727"	423.125601	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+HCOOH-H"	44.998201
"351432"	437.141251	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+Hac-H"	59.013851
"1498807"	248.077551	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Hac-H"	59.013851
"962702"	256.043851	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-H+NaCOOH"	66.980151
"112700"	224.033102	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+2Cl"	69.938804
"556275"	318.564952	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+2Cl"	69.938804
"1026167"	129.501252	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2Cl"	69.938804
"1247205"	267.982585	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Br"	78.918885
"1310384"	270.038572	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Cl+HCOOH"	80.974872
"1332253"	292.020529	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Cl+NaCOOH"	102.956829
"918938"	302.049286	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M-H+CF3COOH"	112.985586
"1294556"	338.025964	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Cl+CF3COOH"	148.962264
"1374904"	154.051024	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H-2H2O"	-35.012676
"1386561"	172.061	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H-H2O"	-17.0027
"285517"	379.134676	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+H"	1.007276
"677210"	568.198376	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+H"	1.007276
"1353925"	190.070976	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H"	1.007276
"131557"	190.070976	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+2H"	2.014552
"574402"	284.602826	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+2H"	2.014552
"1043198"	95.539126	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2H"	2.014552
"211102"	127.049742666667	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+3H"	3.021828
"649571"	190.070976	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+3H"	3.021828
"1172066"	64.0285093333333	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+3H"	3.021828
"429874"	396.161223	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+NH4"	18.033823
"789776"	585.224923	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+NH4"	18.033823
"1683926"	207.097523	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+NH4"	18.033823
"331111"	198.5842495	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+H+NH4"	19.041099
"723284"	293.1160995	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+H+NH4"	19.041099
"1477217"	104.0523995	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H+NH4"	19.041099
"393271"	401.116618	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+Na"	22.989218
"754291"	590.180318	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+Na"	22.989218
"1604392"	212.052918	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Na"	22.989218
"315035"	201.061947	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+H+Na"	23.996494
"710859"	295.593797	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+H+Na"	23.996494
"1462613"	106.530097	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H+Na"	23.996494
"1054402"	71.3558233333333	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2H+Na"	25.00377
"1266167"	222.097186	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+CH3OH+H"	33.033486
"382555"	417.090558	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+K"	38.963158
"746829"	606.154258	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+K"	38.963158
"1551068"	228.026858	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+K"	38.963158
"306060"	209.048917	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+H+K"	39.970434
"700671"	303.580767	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+H+K"	39.970434
"1455582"	114.517067	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H+K"	39.970434
"248922"	420.161226	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+ACN+H"	42.033826
"1219079"	231.097526	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+ACN+H"	42.033826
"1197494"	116.052401	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+ACN+2H"	43.041102
"190364"	423.09856	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+2Na-H"	44.97116
"629199"	612.16226	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+2Na-H"	44.97116
"1132708"	234.03486	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2Na-H"	44.97116
"174172"	212.052918	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+2Na"	45.978436
"619577"	306.584768	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+2Na"	45.978436
"1117128"	117.521068	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2Na"	45.978436
"1400166"	78.6831373333333	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H+2Na"	46.985712
"1433250"	236.076446	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H+HCOOH"	47.012746
"221124"	217.08594	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+3H2O+2H"	56.04448
"1519765"	250.12849	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+IsoProp+H"	61.06479
"418359"	220.039888	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+Na+K"	61.952376
"782274"	314.571738	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+Na+K"	61.952376
"1674593"	125.508038	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Na+K"	61.952376
"260021"	442.143168	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+ACN+Na"	64.015768
"1233825"	253.079468	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+ACN+Na"	64.015768
"1722711"	253.102993	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+NH4+HCOOH"	64.039293
"1183692"	86.0104513333333	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+3Na"	68.967654
"1656864"	258.058388	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Na+HCOOH"	68.994688
"163725"	455.04644	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+2K-H"	76.91904
"598422"	644.11014	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+2K-H"	76.91904
"1086455"	265.98274	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2K-H"	76.91904
"143030"	228.026858	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"2M+2K"	77.926316
"585636"	322.558708	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"3M+2K"	77.926316
"1070876"	133.495008	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2K"	77.926316
"1104091"	267.997292	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2K+H"	78.933592
"1338649"	268.084907	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+DMSO+H"	79.021207
"1010099"	272.124076	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2ACN+H"	83.060376
"1527129"	273.117708	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+IsoProp+Na+H"	84.054008
"996861"	136.565676	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+2ACN+2H"	84.067652
"1588564"	274.032328	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+K+HCOOH"	84.968628
"1419212"	304.063838	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+H+CF3COOH"	115.000138
"1158250"	157.078951	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+3ACN+2H"	125.094202
"1702333"	321.090385	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+NH4+CF3COOH"	132.026685
"1645639"	326.04578	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+Na+CF3COOH"	136.98208
"1581289"	342.01972	"C03871"	"L-2-Amino-6-oxoheptanedioate;L-2-Amino-6-oxopimelate"	"C7H11NO5"	"189.0637"	"M+K+CF3COOH"	152.95602
"801816"	228.0511	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M"	0
"981912"	209.03271	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-H2O-H"	-19.01839
"72343"	151.026790666667	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M-3H"	-3.021828
"516279"	227.043824	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M-3H"	-3.021828
"890807"	75.0097573333333	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-3H"	-3.021828
"5009"	227.043824	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M-2H"	-2.014552
"451131"	341.069374	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M-2H"	-2.014552
"823829"	113.018274	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-2H"	-2.014552
"83456"	455.094924	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M-H"	-1.007276
"531039"	683.146024	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M-H"	-1.007276
"906292"	227.043824	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-H"	-1.007276
"53008"	472.121471	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M-2H+NH4"	16.019271
"491475"	700.172571	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M-2H+NH4"	16.019271
"870370"	244.070371	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-2H+NH4"	16.019271
"34992"	477.076866	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M-2H+Na"	20.974666
"477833"	705.127966	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M-2H+Na"	20.974666
"850167"	249.025766	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-2H+Na"	20.974666
"1624072"	249.025766	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Na-2H"	20.974666
"99509"	245.032163	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M-H+Cl"	33.962126
"536154"	359.057713	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M-H+Cl"	33.962126
"931491"	131.006613	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-H+Cl"	33.962126
"274424"	491.071602	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+Cl"	34.969402
"665752"	719.122702	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+Cl"	34.969402
"1279249"	263.020502	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Cl"	34.969402
"23990"	493.050806	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M-2H+K"	36.948606
"463549"	721.101906	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M-2H+K"	36.948606
"834422"	264.999706	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-2H+K"	36.948606
"1561556"	264.999706	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+K-2H"	36.948606
"946525"	273.049294	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-H+HCOOH"	44.998194
"363647"	501.100401	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+HCOOH-H"	44.998201
"347894"	515.116051	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+Hac-H"	59.013851
"1495268"	287.064951	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Hac-H"	59.013851
"961719"	295.031251	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-H+NaCOOH"	66.980151
"112812"	263.020502	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+2Cl"	69.938804
"555654"	377.046052	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+2Cl"	69.938804
"1029559"	148.994952	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2Cl"	69.938804
"1245490"	306.969985	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Br"	78.918885
"1310857"	309.025972	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Cl+HCOOH"	80.974872
"1330176"	331.007929	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Cl+NaCOOH"	102.956829
"919048"	341.036686	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M-H+CF3COOH"	112.985586
"1292479"	377.013364	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Cl+CF3COOH"	148.962264
"1373921"	193.038424	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H-2H2O"	-35.012676
"1386307"	211.0484	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H-H2O"	-17.0027
"286723"	457.109476	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+H"	1.007276
"677321"	685.160576	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+H"	1.007276
"1352580"	229.058376	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H"	1.007276
"130574"	229.058376	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+2H"	2.014552
"574512"	343.083926	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+2H"	2.014552
"1041124"	115.032826	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2H"	2.014552
"211212"	153.041342666667	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+3H"	3.021828
"648588"	229.058376	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+3H"	3.021828
"1172177"	77.0243093333333	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+3H"	3.021828
"429984"	474.136023	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+NH4"	18.033823
"793167"	702.187123	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+NH4"	18.033823
"1682943"	246.084923	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+NH4"	18.033823
"331221"	237.5716495	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+H+NH4"	19.041099
"723395"	351.5971995	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+H+NH4"	19.041099
"1477943"	123.5460995	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H+NH4"	19.041099
"393000"	479.091418	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+Na"	22.989218
"755068"	707.142518	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+Na"	22.989218
"1606326"	251.040318	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Na"	22.989218
"317454"	240.049347	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+H+Na"	23.996494
"710970"	354.074897	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+H+Na"	23.996494
"1463696"	126.023797	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H+Na"	23.996494
"1055849"	84.3516233333333	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2H+Na"	25.00377
"1266277"	261.084586	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+CH3OH+H"	33.033486
"381571"	495.065358	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+K"	38.963158
"746940"	723.116458	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+K"	38.963158
"1552272"	267.014258	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+K"	38.963158
"306170"	248.036317	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+H+K"	39.970434
"700781"	362.061867	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+H+K"	39.970434
"1454599"	134.010767	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H+K"	39.970434
"249398"	498.136026	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+ACN+H"	42.033826
"1220282"	270.084926	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+ACN+H"	42.033826
"1197604"	135.546101	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+ACN+2H"	43.041102
"190474"	501.07336	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+2Na-H"	44.97116
"629062"	729.12446	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+2Na-H"	44.97116
"1131681"	273.02226	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2Na-H"	44.97116
"176831"	251.040318	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+2Na"	45.978436
"614220"	365.065868	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+2Na"	45.978436
"1116996"	137.014768	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2Na"	45.978436
"1399183"	91.6789373333333	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H+2Na"	46.985712
"1432632"	275.063846	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H+HCOOH"	47.012746
"220263"	256.07334	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+3H2O+2H"	56.04448
"1517688"	289.11589	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+IsoProp+H"	61.06479
"418468"	259.027288	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+Na+K"	61.952376
"778374"	373.052838	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+Na+K"	61.952376
"1670330"	145.001738	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Na+K"	61.952376
"255755"	520.117968	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+ACN+Na"	64.015768
"1233934"	292.066868	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+ACN+Na"	64.015768
"1719540"	292.090393	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+NH4+HCOOH"	64.039293
"1183802"	99.0062513333333	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+3Na"	68.967654
"1658067"	297.045788	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Na+HCOOH"	68.994688
"162741"	533.02124	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+2K-H"	76.91904
"598654"	761.07234	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+2K-H"	76.91904
"1085475"	304.97014	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2K-H"	76.91904
"143141"	267.014258	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"2M+2K"	77.926316
"585382"	381.039808	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"3M+2K"	77.926316
"1069891"	152.988708	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2K"	77.926316
"1103108"	306.984692	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2K+H"	78.933592
"1338759"	307.072307	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+DMSO+H"	79.021207
"1008023"	311.111476	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2ACN+H"	83.060376
"1527603"	312.105108	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+IsoProp+Na+H"	84.054008
"996971"	156.059376	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+2ACN+2H"	84.067652
"1588553"	313.019728	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+K+HCOOH"	84.968628
"1417135"	343.051238	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+H+CF3COOH"	115.000138
"1158359"	176.572651	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+3ACN+2H"	125.094202
"1702443"	360.077785	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+NH4+CF3COOH"	132.026685
"1645749"	365.03318	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+Na+CF3COOH"	136.98208
"1581399"	381.00712	"C03872"	"L-Serine-phosphoethanolamine;Serine phosphoethanolamine"	"C5H13N2O6P"	"228.0511"	"M+K+CF3COOH"	152.95602
"813960"	221.0899	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M"	0
"986403"	202.07151	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"74647"	146.385990666667	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"508742"	220.082624	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"885450"	72.6893573333333	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"9493"	220.082624	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"450148"	330.627574	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"823575"	109.537674	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"90135"	441.172524	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"524225"	662.262424	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"900930"	220.082624	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"53119"	458.199071	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"494866"	679.288971	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"867201"	237.109171	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"34007"	463.154466	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"476851"	684.244366	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"853556"	242.064566	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1623091"	242.064566	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"101810"	238.070963	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"538088"	348.615913	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"934885"	127.526013	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"272344"	477.149202	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"666956"	698.239102	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1278993"	256.059302	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"20818"	479.128406	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"462565"	700.218306	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"842558"	258.038506	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1559487"	258.038506	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"946638"	266.088094	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"365585"	487.178001	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"350561"	501.193651	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1493557"	280.103751	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"962556"	288.070051	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"114745"	256.059302	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"556492"	366.604252	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1026749"	145.514352	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1246694"	300.008785	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1310601"	302.064772	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1324453"	324.046729	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"921344"	334.075486	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1293677"	370.052164	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1371474"	186.077224	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1384959"	204.0872	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"285132"	443.187076	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"679260"	664.276976	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1359986"	222.097176	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"133969"	222.097176	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"574624"	332.642126	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1047798"	111.552226	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"211324"	148.400542666667	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"647605"	222.097176	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1166827"	74.7039093333333	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"430100"	460.213623	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"795471"	681.303523	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1684144"	239.123723	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"334607"	230.6104495	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"724840"	341.1553995	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1479756"	120.0654995	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"401715"	465.169018	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"757243"	686.258918	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1605340"	244.079118	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"317563"	233.088147	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"711081"	343.633097	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1464172"	122.543197	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1060336"	82.0312233333333	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1260922"	254.123386	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"383871"	481.142958	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"747054"	702.232858	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1549107"	260.053058	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"306283"	241.075117	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"696517"	351.620067	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1448875"	130.530167	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"240394"	484.213626	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1217114"	263.123726	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1197714"	132.065501	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"190223"	487.15096	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"630024"	708.24086	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1133295"	266.06106	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"173350"	244.079118	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"613030"	354.624068	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1122212"	133.534168	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1398927"	89.3585373333333	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1430801"	268.102646	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"222810"	249.11214	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1519989"	282.15469	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"415303"	252.066088	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"774112"	362.611038	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1673723"	141.521138	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"262429"	506.195568	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1230765"	285.105668	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1719651"	285.129193	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1178809"	96.6858513333333	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1650155"	290.084588	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"157989"	519.09884	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"599501"	740.18874	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1088024"	298.00894	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"146299"	260.053058	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"586590"	370.598008	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1074384"	149.508108	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1105408"	300.023492	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1341793"	300.111107	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1012509"	304.150276	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1535009"	305.143908	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"1003644"	152.578776	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1600339"	306.058528	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1427818"	336.090038	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1161022"	173.092051	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1705835"	353.116585	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1640393"	358.07198	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1581513"	374.04592	"C03878"	"N-Acetyl-beta-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"805322"	285.1365	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M"	0
"984322"	266.11811	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"75849"	189.083724	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"515409"	284.129224	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"891025"	94.038224	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"10698"	284.129224	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"455006"	426.697474	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"831713"	141.560974	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"91947"	569.265724	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"528711"	854.402224	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"909310"	284.129224	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"59793"	586.292271	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"497167"	871.428771	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"879346"	301.155771	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"43965"	591.247666	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"484497"	876.384166	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"861330"	306.111166	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1632561"	306.111166	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"108480"	302.117563	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"547679"	444.685813	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"940342"	159.549313	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"276833"	605.242402	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"672536"	890.378902	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1282753"	320.105902	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"25307"	607.221606	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"462679"	892.358106	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"838294"	322.085106	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1560692"	322.085106	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"944194"	330.134694	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"366784"	615.271201	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"351033"	629.286851	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1496224"	344.150351	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"960846"	352.116651	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"114130"	320.105902	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"551868"	462.674152	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1025408"	177.537652	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1247173"	364.055385	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1312170"	366.111372	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1325658"	388.093329	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"918176"	398.122086	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1293062"	434.098764	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1371952"	250.123824	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1389451"	268.1338	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"292419"	571.280276	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"687030"	856.416776	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1359004"	286.143776	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"135173"	286.143776	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"571454"	428.712026	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1044627"	143.575526	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"209249"	191.098276	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"650998"	286.143776	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1166937"	96.052776	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"429118"	588.306823	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"794487"	873.443323	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1689724"	303.170323	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"334721"	294.6570495	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"730420"	437.2252995	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1485333"	152.0887995	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"396359"	593.262218	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"759541"	878.398718	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1608731"	308.125718	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"318770"	297.134747	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"712287"	439.702997	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1467200"	154.566497	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1061540"	103.38009	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1266500"	318.169986	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"392573"	609.236158	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"751538"	894.372658	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1553591"	324.099658	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"307487"	305.121717	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"698815"	447.689967	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1459197"	162.553467	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"239046"	612.306826	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1212849"	327.170326	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1196735"	164.088801	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"190337"	615.24416	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"631357"	900.38066	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1137424"	330.10766	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"179618"	308.125718	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"619908"	450.693968	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1122319"	165.557468	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1403294"	110.707404	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1436143"	332.149246	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"224383"	313.15874	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1517913"	346.20129	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"421974"	316.112688	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"782969"	458.680938	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1676020"	173.544438	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"260354"	634.288768	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1230875"	349.152268	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1714662"	349.175793	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1181840"	118.034718	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1653191"	354.131188	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"166250"	647.19204	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"606903"	932.32854	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1088137"	362.05554	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"146046"	324.099658	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"586701"	466.667908	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1075957"	181.531408	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1106618"	364.070092	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1343002"	364.157707	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1012626"	368.196876	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1531842"	369.190508	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"998291"	184.602076	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1599718"	370.105128	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1422828"	400.136638	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1155304"	205.115351	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1699386"	417.163185	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1637223"	422.11858	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1572512"	438.09252	"C03882"	"Piperine;N-(EE)-Piperoylpiperidine;1-Piperoyl-piperidine"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"805431"	188.1273	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M"	0
"977870"	169.10891	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-H2O-H"	-19.01839
"67206"	124.410924	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M-3H"	-3.021828
"512236"	187.120024	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M-3H"	-3.021828
"893320"	61.701824	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-3H"	-3.021828
"10809"	187.120024	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M-2H"	-2.014552
"454141"	281.183674	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M-2H"	-2.014552
"831335"	93.056374	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-2H"	-2.014552
"91936"	375.247324	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M-H"	-1.007276
"532227"	563.374624	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M-H"	-1.007276
"908448"	187.120024	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-H"	-1.007276
"59903"	392.273871	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M-2H+NH4"	16.019271
"500315"	580.401171	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M-2H+NH4"	16.019271
"878484"	204.146571	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-2H+NH4"	16.019271
"43714"	397.229266	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M-2H+Na"	20.974666
"485581"	585.356566	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M-2H+Na"	20.974666
"861076"	209.101966	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-2H+Na"	20.974666
"1633158"	209.101966	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Na-2H"	20.974666
"108590"	205.108363	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M-H+Cl"	33.962126
"547057"	299.172013	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M-H+Cl"	33.962126
"940939"	111.044713	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-H+Cl"	33.962126
"280224"	411.224002	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+Cl"	34.969402
"672645"	599.351302	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+Cl"	34.969402
"1285049"	223.096702	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Cl"	34.969402
"27601"	413.203206	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M-2H+K"	36.948606
"463882"	601.330506	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M-2H+K"	36.948606
"839133"	225.075906	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-2H+K"	36.948606
"1561895"	225.075906	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+K-2H"	36.948606
"945397"	233.125494	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-H+HCOOH"	44.998194
"366894"	421.252801	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+HCOOH-H"	44.998201
"350781"	435.268451	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+Hac-H"	59.013851
"1497425"	247.141151	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Hac-H"	59.013851
"958644"	255.107451	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-H+NaCOOH"	66.980151
"111077"	223.096702	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+2Cl"	69.938804
"550395"	317.160352	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+2Cl"	69.938804
"1025153"	129.033052	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2Cl"	69.938804
"1244366"	267.046185	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Br"	78.918885
"1310822"	269.102172	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Cl+HCOOH"	80.974872
"1326495"	291.084129	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Cl+NaCOOH"	102.956829
"914638"	301.112886	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M-H+CF3COOH"	112.985586
"1290253"	337.089564	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Cl+CF3COOH"	148.962264
"1370968"	153.114624	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H-2H2O"	-35.012676
"1383195"	171.1246	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H-H2O"	-17.0027
"290342"	377.261876	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+H"	1.007276
"688233"	565.389176	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+H"	1.007276
"1363486"	189.134576	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H"	1.007276
"137470"	189.134576	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+2H"	2.014552
"575938"	283.198226	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+2H"	2.014552
"1048018"	95.070926	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2H"	2.014552
"213732"	126.425476	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+3H"	3.021828
"654388"	189.134576	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+3H"	3.021828
"1168141"	63.716376	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+3H"	3.021828
"434695"	394.288423	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+NH4"	18.033823
"796784"	582.415723	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+NH4"	18.033823
"1690928"	206.161123	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+NH4"	18.033823
"334831"	197.6478495	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+H+NH4"	19.041099
"731623"	291.7114995	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+H+NH4"	19.041099
"1484350"	103.5841995	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H+NH4"	19.041099
"396469"	399.243818	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+Na"	22.989218
"761838"	587.371118	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+Na"	22.989218
"1612121"	211.116518	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Na"	22.989218
"323254"	200.125547	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+H+Na"	23.996494
"713491"	294.189197	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+H+Na"	23.996494
"1470591"	106.061897	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H+Na"	23.996494
"1062744"	71.04369	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2H+Na"	25.00377
"1272402"	221.160786	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+CH3OH+H"	33.033486
"392814"	415.217758	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+K"	38.963158
"752377"	603.345058	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+K"	38.963158
"1553338"	227.090458	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+K"	38.963158
"309421"	208.112517	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+H+K"	39.970434
"701842"	302.176167	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+H+K"	39.970434
"1459672"	114.048867	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H+K"	39.970434
"241345"	418.288426	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+ACN+H"	42.033826
"1213321"	230.161126	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+ACN+H"	42.033826
"1196844"	115.584201	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+ACN+2H"	43.041102
"189719"	421.22576	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+2Na-H"	44.97116
"631467"	609.35306	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+2Na-H"	44.97116
"1133886"	233.09846	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2Na-H"	44.97116
"175354"	211.116518	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+2Na"	45.978436
"613697"	305.180168	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+2Na"	45.978436
"1119513"	117.052868	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2Na"	45.978436
"1402311"	78.371004	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H+2Na"	46.985712
"1433332"	235.140046	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H+HCOOH"	47.012746
"227772"	216.14954	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+3H2O+2H"	56.04448
"1516930"	249.19209	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+IsoProp+H"	61.06479
"418804"	219.103488	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+Na+K"	61.952376
"776519"	313.167138	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+Na+K"	61.952376
"1675037"	125.039838	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Na+K"	61.952376
"260464"	440.270368	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+ACN+Na"	64.015768
"1234267"	252.143068	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+ACN+Na"	64.015768
"1716230"	252.166593	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+NH4+HCOOH"	64.039293
"1181950"	85.698318	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+3Na"	68.967654
"1653301"	257.121988	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Na+HCOOH"	68.994688
"161985"	453.17364	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+2K-H"	76.91904
"605919"	641.30094	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+2K-H"	76.91904
"1088975"	265.04634	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2K-H"	76.91904
"146156"	227.090458	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"2M+2K"	77.926316
"586810"	321.154108	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"3M+2K"	77.926316
"1078979"	133.026808	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2K"	77.926316
"1107820"	267.060892	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2K+H"	78.933592
"1345298"	267.148507	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+DMSO+H"	79.021207
"1014923"	271.187676	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2ACN+H"	83.060376
"1528673"	272.181308	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+IsoProp+Na+H"	84.054008
"1000587"	136.097476	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+2ACN+2H"	84.067652
"1600556"	273.095928	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+K+HCOOH"	84.968628
"1422938"	303.127438	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+H+CF3COOH"	115.000138
"1154321"	156.610751	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+3ACN+2H"	125.094202
"1699496"	320.153985	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+NH4+CF3COOH"	132.026685
"1635510"	325.10938	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+Na+CF3COOH"	136.98208
"1572622"	341.08332	"C03884"	"N(omega)-Methyl-L-arginine;N(G)-Monomethyl-L-arginine"	"C7H16N4O2"	"188.1273"	"M+K+CF3COOH"	152.95602
"803719"	750.5951	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M"	0
"978344"	731.57671	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-H2O-H"	-19.01839
"67316"	499.389457333333	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M-3H"	-3.021828
"515626"	749.587824	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M-3H"	-3.021828
"893429"	249.191090666667	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-3H"	-3.021828
"3260"	749.587824	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M-2H"	-2.014552
"455646"	1124.885374	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M-2H"	-2.014552
"832666"	374.290274	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-2H"	-2.014552
"93994"	1500.182924	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M-H"	-1.007276
"533678"	2250.778024	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M-H"	-1.007276
"910751"	749.587824	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-H"	-1.007276
"60013"	1517.209471	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M-2H+NH4"	16.019271
"497387"	2267.804571	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M-2H+NH4"	16.019271
"876283"	766.614371	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-2H+NH4"	16.019271
"45281"	1522.164866	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M-2H+Na"	20.974666
"486297"	2272.759966	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M-2H+Na"	20.974666
"862642"	771.569766	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-2H+Na"	20.974666
"1631078"	771.569766	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Na-2H"	20.974666
"106513"	767.576163	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M-H+Cl"	33.962126
"548139"	1142.873713	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M-H+Cl"	33.962126
"941048"	392.278613	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-H+Cl"	33.962126
"279240"	1536.159602	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+Cl"	34.969402
"672755"	2286.754702	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+Cl"	34.969402
"1285888"	785.564502	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Cl"	34.969402
"27711"	1538.138806	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M-2H+K"	36.948606
"465085"	2288.733906	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M-2H+K"	36.948606
"841795"	787.543706	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-2H+K"	36.948606
"1562005"	787.543706	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+K-2H"	36.948606
"945510"	795.593294	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-H+HCOOH"	44.998194
"363722"	1546.188401	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+HCOOH-H"	44.998201
"350890"	1560.204051	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+Hac-H"	59.013851
"1498630"	809.608951	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Hac-H"	59.013851
"960703"	817.575251	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-H+NaCOOH"	66.980151
"114349"	785.564502	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+2Cl"	69.938804
"551721"	1160.862052	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+2Cl"	69.938804
"1022707"	410.266952	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2Cl"	69.938804
"1243744"	829.513985	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Br"	78.918885
"1309842"	831.569972	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Cl+HCOOH"	80.974872
"1322963"	853.551929	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Cl+NaCOOH"	102.956829
"915839"	863.580686	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M-H+CF3COOH"	112.985586
"1288904"	899.557364	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Cl+CF3COOH"	148.962264
"1368525"	715.582424	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H-2H2O"	-35.012676
"1382981"	733.5924	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H-H2O"	-17.0027
"287172"	1502.197476	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+H"	1.007276
"686156"	2252.792576	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+H"	1.007276
"1354848"	751.602376	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H"	1.007276
"133206"	751.602376	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+2H"	2.014552
"574954"	1126.899926	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+2H"	2.014552
"1045941"	376.304826	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2H"	2.014552
"212749"	501.404009333333	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+3H"	3.021828
"652311"	751.602376	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+3H"	3.021828
"1168251"	251.205642666667	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+3H"	3.021828
"434805"	1519.224023	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+NH4"	18.033823
"796894"	2269.819123	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+NH4"	18.033823
"1691038"	768.628923	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+NH4"	18.033823
"334942"	760.1156495	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+H+NH4"	19.041099
"730640"	1135.4131995	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+H+NH4"	19.041099
"1482273"	384.8180995	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H+NH4"	19.041099
"394392"	1524.179418	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+Na"	22.989218
"760855"	2274.774518	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+Na"	22.989218
"1613325"	773.584318	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Na"	22.989218
"320084"	762.593347	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+H+Na"	23.996494
"712507"	1137.890897	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+H+Na"	23.996494
"1468150"	387.295797	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H+Na"	23.996494
"1063948"	258.532956666667	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2H+Na"	25.00377
"1271823"	783.628586	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+CH3OH+H"	33.033486
"392588"	1540.153358	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+K"	38.963158
"752487"	2290.748458	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+K"	38.963158
"1555149"	789.558258	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+K"	38.963158
"310987"	770.580317	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+H+K"	39.970434
"701223"	1145.877867	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+H+K"	39.970434
"1459417"	395.282767	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H+K"	39.970434
"241454"	1543.224026	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+ACN+H"	42.033826
"1212705"	792.628926	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+ACN+H"	42.033826
"1198413"	396.818101	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+ACN+2H"	43.041102
"191287"	1546.16136	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+2Na-H"	44.97116
"631213"	2296.75646	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+2Na-H"	44.97116
"1136183"	795.56626	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2Na-H"	44.97116
"173640"	773.584318	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+2Na"	45.978436
"613075"	1148.881868	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+2Na"	45.978436
"1116706"	398.286768	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2Na"	45.978436
"1402785"	265.860270666667	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H+2Na"	46.985712
"1430646"	797.607846	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H+HCOOH"	47.012746
"227882"	778.61734	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+3H2O+2H"	56.04448
"1517039"	811.65989	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+IsoProp+H"	61.06479
"412352"	781.571288	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+Na+K"	61.952376
"775534"	1156.868838	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+Na+K"	61.952376
"1675147"	406.273738	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Na+K"	61.952376
"260574"	1565.205968	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+ACN+Na"	64.015768
"1234377"	814.610868	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+ACN+Na"	64.015768
"1713424"	814.634393	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+NH4+HCOOH"	64.039293
"1181329"	273.187584666667	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+3Na"	68.967654
"1650491"	819.589788	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Na+HCOOH"	68.994688
"162823"	1578.10924	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+2K-H"	76.91904
"601654"	2328.70434	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+2K-H"	76.91904
"1089085"	827.51414	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2K-H"	76.91904
"144442"	789.558258	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"2M+2K"	77.926316
"584732"	1164.855808	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"3M+2K"	77.926316
"1078725"	414.260708	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2K"	77.926316
"1110117"	829.528692	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2K+H"	78.933592
"1345408"	829.616307	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+DMSO+H"	79.021207
"1018312"	833.655476	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2ACN+H"	83.060376
"1528783"	834.649108	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+IsoProp+Na+H"	84.054008
"1000697"	417.331376	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+2ACN+2H"	84.067652
"1599573"	835.563728	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+K+HCOOH"	84.968628
"1419768"	865.595238	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+H+CF3COOH"	115.000138
"1155524"	437.844651	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+3ACN+2H"	125.094202
"1699970"	882.621785	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+NH4+CF3COOH"	132.026685
"1635620"	887.57718	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+Na+CF3COOH"	136.98208
"1572368"	903.55112	"C03885"	"3-Nonaprenyl-4-hydroxybenzoate;Nonaprenyl-4-hydroxybenzoate"	"C52H78O3"	"750.5951"	"M+K+CF3COOH"	152.95602
"803466"	393.2277	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M"	0
"977363"	374.20931	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-H2O-H"	-19.01839
"64511"	261.144524	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M-3H"	-3.021828
"506988"	392.220424	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M-3H"	-3.021828
"893546"	130.068624	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-3H"	-3.021828
"12126"	392.220424	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M-2H"	-2.014552
"453873"	588.834274	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M-2H"	-2.014552
"832707"	195.606574	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-2H"	-2.014552
"94024"	785.448124	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M-H"	-1.007276
"533780"	1178.675824	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M-H"	-1.007276
"910002"	392.220424	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-H"	-1.007276
"60125"	802.474671	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M-2H+NH4"	16.019271
"497498"	1195.702371	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M-2H+NH4"	16.019271
"879761"	409.246971	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-2H+NH4"	16.019271
"45755"	807.430066	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M-2H+Na"	20.974666
"486409"	1200.657766	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M-2H+Na"	20.974666
"860566"	414.202366	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-2H+Na"	20.974666
"1632282"	414.202366	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Na-2H"	20.974666
"106626"	410.208763	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M-H+Cl"	33.962126
"549221"	606.822613	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M-H+Cl"	33.962126
"941641"	213.594913	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-H+Cl"	33.962126
"282020"	821.424802	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+Cl"	34.969402
"670679"	1214.652502	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+Cl"	34.969402
"1286357"	428.197102	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Cl"	34.969402
"23450"	823.404006	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M-2H+K"	36.948606
"458273"	1216.631706	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M-2H+K"	36.948606
"838627"	430.176306	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-2H+K"	36.948606
"1556645"	430.176306	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+K-2H"	36.948606
"945620"	438.225894	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-H+HCOOH"	44.998194
"364198"	831.453601	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+HCOOH-H"	44.998201
"352093"	845.469251	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+Hac-H"	59.013851
"1497647"	452.241551	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Hac-H"	59.013851
"965188"	460.207851	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-H+NaCOOH"	66.980151
"119198"	428.197102	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+2Cl"	69.938804
"550859"	624.810952	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+2Cl"	69.938804
"1023183"	231.583252	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2Cl"	69.938804
"1243126"	472.146585	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Br"	78.918885
"1305576"	474.202572	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Cl+HCOOH"	80.974872
"1333642"	496.184529	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Cl+NaCOOH"	102.956829
"912427"	506.213286	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M-H+CF3COOH"	112.985586
"1291204"	542.189964	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Cl+CF3COOH"	148.962264
"1369366"	358.215024	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H-2H2O"	-35.012676
"1385409"	376.225	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H-H2O"	-17.0027
"285095"	787.462676	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+H"	1.007276
"684078"	1180.690376	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+H"	1.007276
"1356053"	394.234976	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H"	1.007276
"131130"	394.234976	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+2H"	2.014552
"572877"	590.848826	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+2H"	2.014552
"1044956"	197.621126	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2H"	2.014552
"213954"	263.159076	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+3H"	3.021828
"651328"	394.234976	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+3H"	3.021828
"1171642"	132.083176	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+3H"	3.021828
"432729"	804.489223	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+NH4"	18.033823
"799800"	1197.716923	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+NH4"	18.033823
"1692241"	411.261523	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+NH4"	18.033823
"339424"	402.7482495	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+H+NH4"	19.041099
"727471"	599.3620995	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+H+NH4"	19.041099
"1484570"	206.1343995	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H+NH4"	19.041099
"399970"	809.444618	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+Na"	22.989218
"763152"	1202.672318	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+Na"	22.989218
"1609062"	416.216918	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Na"	22.989218
"322382"	405.225947	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+H+Na"	23.996494
"715898"	601.839797	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+H+Na"	23.996494
"1469718"	208.612097	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H+Na"	23.996494
"1065517"	139.41049	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2H+Na"	25.00377
"1265739"	426.261186	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+CH3OH+H"	33.033486
"391238"	825.418558	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+K"	38.963158
"751505"	1218.646258	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+K"	38.963158
"1554291"	432.190858	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+K"	38.963158
"310005"	413.212917	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+H+K"	39.970434
"704248"	609.826767	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+H+K"	39.970434
"1455150"	216.599067	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H+K"	39.970434
"238282"	828.489226	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+ACN+H"	42.033826
"1211359"	435.261526	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+ACN+H"	42.033826
"1197066"	218.134401	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+ACN+2H"	43.041102
"189575"	831.42656	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+2Na-H"	44.97116
"630966"	1224.65426	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+2Na-H"	44.97116
"1135931"	438.19886	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2Na-H"	44.97116
"178128"	416.216918	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+2Na"	45.978436
"615500"	612.830768	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+2Na"	45.978436
"1120831"	219.603068	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2Na"	45.978436
"1403626"	146.737804	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H+2Na"	46.985712
"1435014"	440.240446	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H+HCOOH"	47.012746
"229086"	421.24994	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+3H2O+2H"	56.04448
"1514965"	454.29249	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+IsoProp+H"	61.06479
"416836"	424.203888	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+Na+K"	61.952376
"782208"	620.817738	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+Na+K"	61.952376
"1675260"	227.590038	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Na+K"	61.952376
"255948"	850.471168	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+ACN+Na"	64.015768
"1227198"	457.243468	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+ACN+Na"	64.015768
"1713652"	457.266993	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+NH4+HCOOH"	64.039293
"1179047"	154.065118	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+3Na"	68.967654
"1650316"	462.222388	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Na+HCOOH"	68.994688
"160012"	863.37444	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+2K-H"	76.91904
"602864"	1256.60214	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+2K-H"	76.91904
"1092842"	470.14674	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2K-H"	76.91904
"148566"	432.190858	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"2M+2K"	77.926316
"590312"	628.804708	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"3M+2K"	77.926316
"1074829"	235.577008	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2K"	77.926316
"1105852"	472.161292	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2K+H"	78.933592
"1345518"	472.248907	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+DMSO+H"	79.021207
"1012955"	476.288076	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2ACN+H"	83.060376
"1531080"	477.281708	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+IsoProp+Na+H"	84.054008
"999714"	238.647676	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+2ACN+2H"	84.067652
"1597496"	478.196328	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+K+HCOOH"	84.968628
"1419874"	508.227838	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+H+CF3COOH"	115.000138
"1152351"	259.160951	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+3ACN+2H"	125.094202
"1702997"	525.254385	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+NH4+CF3COOH"	132.026685
"1634394"	530.20978	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+Na+CF3COOH"	136.98208
"1575394"	546.18372	"C03887"	"Oxidized Cypridina luciferin"	"C21H27N7O"	"393.2277"	"M+K+CF3COOH"	152.95602
"802483"	571.0719	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M"	0
"975650"	552.05351	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-H2O-H"	-19.01839
"65350"	379.707324	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M-3H"	-3.021828
"503818"	570.064624	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M-3H"	-3.021828
"893656"	189.350024	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-3H"	-3.021828
"11142"	570.064624	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M-2H"	-2.014552
"455282"	855.600574	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M-2H"	-2.014552
"829598"	284.528674	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-2H"	-2.014552
"94048"	1141.136524	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M-H"	-1.007276
"533608"	1712.208424	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M-H"	-1.007276
"910112"	570.064624	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-H"	-1.007276
"61328"	1158.163071	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M-2H+NH4"	16.019271
"500889"	1729.234971	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M-2H+NH4"	16.019271
"877236"	587.091171	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-2H+NH4"	16.019271
"43679"	1163.118466	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M-2H+Na"	20.974666
"484334"	1734.190366	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M-2H+Na"	20.974666
"859582"	592.046566	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-2H+Na"	20.974666
"1632271"	592.046566	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Na-2H"	20.974666
"108923"	588.052963	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M-H+Cl"	33.962126
"548845"	873.588913	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M-H+Cl"	33.962126
"941510"	302.517013	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-H+Cl"	33.962126
"281159"	1177.113202	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+Cl"	34.969402
"669695"	1748.185102	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+Cl"	34.969402
"1285374"	606.041302	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Cl"	34.969402
"23560"	1179.092406	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M-2H+K"	36.948606
"456276"	1750.164306	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M-2H+K"	36.948606
"836550"	608.020506	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-2H+K"	36.948606
"1560034"	608.020506	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+K-2H"	36.948606
"944272"	616.070094	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-H+HCOOH"	44.998194
"362488"	1187.142001	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+HCOOH-H"	44.998201
"347826"	1201.157651	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+Hac-H"	59.013851
"1494473"	630.085751	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Hac-H"	59.013851
"960192"	638.052051	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-H+NaCOOH"	66.980151
"112379"	606.041302	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+2Cl"	69.938804
"559961"	891.577252	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+2Cl"	69.938804
"1031311"	320.505352	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2Cl"	69.938804
"1246151"	649.990785	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Br"	78.918885
"1305685"	652.046772	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Cl+HCOOH"	80.974872
"1332658"	674.028729	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Cl+NaCOOH"	102.956829
"921529"	684.057486	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M-H+CF3COOH"	112.985586
"1296413"	720.034164	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Cl+CF3COOH"	148.962264
"1368745"	536.059224	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H-2H2O"	-35.012676
"1386612"	554.0692	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H-H2O"	-17.0027
"284111"	1143.151076	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+H"	1.007276
"684188"	1714.222976	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+H"	1.007276
"1356163"	572.079176	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H"	1.007276
"132334"	572.079176	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+2H"	2.014552
"574080"	857.615126	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+2H"	2.014552
"1041787"	286.543226	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2H"	2.014552
"210784"	381.721876	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+3H"	3.021828
"653624"	572.079176	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+3H"	3.021828
"1175033"	191.364576	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+3H"	3.021828
"431745"	1160.177623	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+NH4"	18.033823
"797114"	1731.249523	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+NH4"	18.033823
"1692351"	589.105723	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+NH4"	18.033823
"336252"	580.5924495	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+H+NH4"	19.041099
"730861"	866.1283995	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+H+NH4"	19.041099
"1483587"	295.0564995	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H+NH4"	19.041099
"394612"	1165.133018	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+Na"	22.989218
"764356"	1736.204918	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+Na"	22.989218
"1610265"	594.061118	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Na"	22.989218
"323585"	583.070147	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+H+Na"	23.996494
"717101"	868.606097	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+H+Na"	23.996494
"1472014"	297.534197	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H+Na"	23.996494
"1064170"	198.69189	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2H+Na"	25.00377
"1268035"	604.105386	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+CH3OH+H"	33.033486
"391347"	1181.106958	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+K"	38.963158
"752342"	1752.178858	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+K"	38.963158
"1552938"	610.035058	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+K"	38.963158
"311205"	591.057117	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+H+K"	39.970434
"705450"	876.593067	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+H+K"	39.970434
"1449791"	305.521167	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H+K"	39.970434
"239488"	1184.177626	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+ACN+H"	42.033826
"1213291"	613.105726	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+ACN+H"	42.033826
"1195353"	307.056501	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+ACN+2H"	43.041102
"191145"	1187.11496	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+2Na-H"	44.97116
"631805"	1758.18686	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+2Na-H"	44.97116
"1138228"	616.04306	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2Na-H"	44.97116
"180060"	594.061118	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+2Na"	45.978436
"615610"	879.597068	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+2Na"	45.978436
"1121670"	308.525168	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2Na"	45.978436
"1402279"	206.019204	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H+2Na"	46.985712
"1434396"	618.084646	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H+HCOOH"	47.012746
"224825"	599.09414	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+3H2O+2H"	56.04448
"1519450"	632.13669	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+IsoProp+H"	61.06479
"416949"	602.048088	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+Na+K"	61.952376
"779403"	887.584038	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+Na+K"	61.952376
"1671360"	316.512138	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Na+K"	61.952376
"253142"	1206.159568	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+ACN+Na"	64.015768
"1226255"	635.087668	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+ACN+Na"	64.015768
"1713070"	635.111193	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+NH4+HCOOH"	64.039293
"1179722"	213.346518	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+3Na"	68.967654
"1654359"	640.066588	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Na+HCOOH"	68.994688
"157452"	1219.06284	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+2K-H"	76.91904
"602974"	1790.13474	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+2K-H"	76.91904
"1086753"	647.99094	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2K-H"	76.91904
"146490"	610.035058	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"2M+2K"	77.926316
"589334"	895.571008	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"3M+2K"	77.926316
"1073846"	324.499108	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2K"	77.926316
"1112523"	650.005492	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2K+H"	78.933592
"1347450"	650.093107	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+DMSO+H"	79.021207
"1015252"	654.132276	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2ACN+H"	83.060376
"1529003"	655.125908	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+IsoProp+Na+H"	84.054008
"998730"	327.569776	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+2ACN+2H"	84.067652
"1592139"	656.040528	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+K+HCOOH"	84.968628
"1417799"	686.072038	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+H+CF3COOH"	115.000138
"1150275"	348.083051	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+3ACN+2H"	125.094202
"1698734"	703.098585	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+NH4+CF3COOH"	132.026685
"1635842"	708.05398	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+Na+CF3COOH"	136.98208
"1573682"	724.02792	"C03888"	"Oxidized Watasenia luciferin"	"C25H21N3O9S2"	"571.0719"	"M+K+CF3COOH"	152.95602
"815728"	156.0188	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M"	0
"988165"	137.00041	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-H2O-H"	-19.01839
"75315"	103.005257333333	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M-3H"	-3.021828
"516941"	155.011524	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M-3H"	-3.021828
"894991"	50.9989906666667	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-3H"	-3.021828
"14778"	155.011524	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M-2H"	-2.014552
"454581"	233.020924	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M-2H"	-2.014552
"832266"	77.002124	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-2H"	-2.014552
"92376"	311.030324	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M-H"	-1.007276
"533761"	467.049124	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M-H"	-1.007276
"908157"	155.011524	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-H"	-1.007276
"60710"	328.056871	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M-2H+NH4"	16.019271
"501733"	484.075671	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M-2H+NH4"	16.019271
"876616"	172.038071	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-2H+NH4"	16.019271
"45371"	333.012266	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M-2H+Na"	20.974666
"481882"	489.031066	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M-2H+Na"	20.974666
"863216"	176.993466	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-2H+Na"	20.974666
"1633115"	176.993466	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Na-2H"	20.974666
"109154"	172.999863	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M-H+Cl"	33.962126
"545309"	251.009263	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M-H+Cl"	33.962126
"941256"	94.990463	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-H+Cl"	33.962126
"273006"	347.007002	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+Cl"	34.969402
"669803"	503.025802	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+Cl"	34.969402
"1278929"	190.988202	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Cl"	34.969402
"18930"	348.986206	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M-2H+K"	36.948606
"458126"	505.005006	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M-2H+K"	36.948606
"835563"	192.967406	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-2H+K"	36.948606
"1563424"	192.967406	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+K-2H"	36.948606
"945111"	201.016994	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-H+HCOOH"	44.998194
"365149"	357.035801	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+HCOOH-H"	44.998201
"351220"	371.051451	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+Hac-H"	59.013851
"1495680"	215.032651	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Hac-H"	59.013851
"961033"	222.998951	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-H+NaCOOH"	66.980151
"112853"	190.988202	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+2Cl"	69.938804
"558977"	268.997602	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+2Cl"	69.938804
"1029596"	112.978802	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2Cl"	69.938804
"1244801"	234.937685	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Br"	78.918885
"1307979"	236.993672	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Cl+HCOOH"	80.974872
"1320373"	258.975629	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Cl+NaCOOH"	102.956829
"912895"	269.004386	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M-H+CF3COOH"	112.985586
"1299817"	304.981064	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Cl+CF3COOH"	148.962264
"1369230"	121.006124	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H-2H2O"	-35.012676
"1386725"	139.0161	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H-H2O"	-17.0027
"285321"	313.044876	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+H"	1.007276
"679929"	469.063676	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+H"	1.007276
"1357372"	157.026076	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H"	1.007276
"139013"	157.026076	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+2H"	2.014552
"575293"	235.035476	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+2H"	2.014552
"1047372"	79.016676	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2H"	2.014552
"218312"	105.019809333333	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+3H"	3.021828
"654833"	157.026076	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+3H"	3.021828
"1170769"	53.0135426666667	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+3H"	3.021828
"431854"	330.071423	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+NH4"	18.033823
"793943"	486.090223	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+NH4"	18.033823
"1692460"	174.052623	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+NH4"	18.033823
"336365"	165.5393495	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+H+NH4"	19.041099
"727692"	243.5487495	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+H+NH4"	19.041099
"1482605"	87.5299495	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H+NH4"	19.041099
"396911"	335.026818	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+Na"	22.989218
"761189"	491.045618	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+Na"	22.989218
"1608196"	179.008018	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Na"	22.989218
"315073"	168.017047	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+H+Na"	23.996494
"709559"	246.026447	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+H+Na"	23.996494
"1464472"	90.007647	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H+Na"	23.996494
"1057716"	60.3408566666667	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2H+Na"	25.00377
"1259396"	189.052286	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+CH3OH+H"	33.033486
"378331"	351.000758	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+K"	38.963158
"740058"	507.019558	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+K"	38.963158
"1541019"	194.981958	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+K"	38.963158
"301482"	176.004017	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+H+K"	39.970434
"692808"	254.013417	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+H+K"	39.970434
"1448818"	97.994617	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H+K"	39.970434
"245087"	354.071426	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+ACN+H"	42.033826
"1215607"	198.052626	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+ACN+H"	42.033826
"1202769"	99.529951	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+ACN+2H"	43.041102
"193458"	357.00876	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+2Na-H"	44.97116
"631925"	513.02756	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+2Na-H"	44.97116
"1135792"	200.98996	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2Na-H"	44.97116
"186986"	179.008018	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+2Na"	45.978436
"624843"	257.017418	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+2Na"	45.978436
"1121788"	100.998618	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2Na"	45.978436
"1409686"	67.6681706666667	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H+2Na"	46.985712
"1432688"	203.031546	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H+HCOOH"	47.012746
"221778"	184.04104	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+3H2O+2H"	56.04448
"1512271"	217.08359	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+IsoProp+H"	61.06479
"412686"	186.994988	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+Na+K"	61.952376
"774410"	265.004388	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+Na+K"	61.952376
"1666244"	108.985588	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Na+K"	61.952376
"251499"	376.053368	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+ACN+Na"	64.015768
"1226080"	220.034568	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+ACN+Na"	64.015768
"1712870"	220.058093	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+NH4+HCOOH"	64.039293
"1186768"	74.9954846666667	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+3Na"	68.967654
"1657757"	225.013488	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Na+HCOOH"	68.994688
"164619"	388.95664	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+2K-H"	76.91904
"610743"	544.97544	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+2K-H"	76.91904
"1095257"	232.93784	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2K-H"	76.91904
"149884"	194.981958	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"2M+2K"	77.926316
"592362"	272.991358	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"3M+2K"	77.926316
"1077239"	116.972558	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2K"	77.926316
"1107167"	234.952392	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2K+H"	78.933592
"1343184"	235.040007	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+DMSO+H"	79.021207
"1010986"	239.079176	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2ACN+H"	83.060376
"1529113"	240.072808	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+IsoProp+Na+H"	84.054008
"992280"	120.043226	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+2ACN+2H"	84.067652
"1592252"	240.987428	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+K+HCOOH"	84.968628
"1419007"	271.018938	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+H+CF3COOH"	115.000138
"1155858"	140.556501	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+3ACN+2H"	125.094202
"1705410"	288.045485	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+NH4+CF3COOH"	132.026685
"1641061"	293.00088	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+Na+CF3COOH"	136.98208
"1582182"	308.97482	"C03894"	"Propane-12-diol 1-phosphate"	"C3H9O5P"	"156.0188"	"M+K+CF3COOH"	152.95602
"809270"	541.9131	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M"	0
"982803"	522.89471	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H2O-H"	-19.01839
"77610"	360.268124	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-3H"	-3.021828
"514981"	540.905824	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-3H"	-3.021828
"893514"	179.630424	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-3H"	-3.021828
"13548"	540.905824	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H"	-2.014552
"455056"	811.862374	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H"	-2.014552
"832255"	269.949274	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H"	-2.014552
"93216"	1082.818924	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-H"	-1.007276
"530464"	1624.732024	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-H"	-1.007276
"908266"	540.905824	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H"	-1.007276
"59360"	1099.845471	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H+NH4"	16.019271
"497828"	1641.758571	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H+NH4"	16.019271
"876723"	557.932371	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H+NH4"	16.019271
"45355"	1104.800866	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H+Na"	20.974666
"485273"	1646.713966	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H+Na"	20.974666
"864054"	562.887766	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H+Na"	20.974666
"1632488"	562.887766	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na-2H"	20.974666
"104766"	558.894163	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-H+Cl"	33.962126
"543231"	829.850713	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-H+Cl"	33.962126
"941120"	287.937613	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+Cl"	33.962126
"273116"	1118.795602	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Cl"	34.969402
"671009"	1660.708702	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+Cl"	34.969402
"1279039"	576.882502	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl"	34.969402
"19408"	1120.774806	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H+K"	36.948606
"461154"	1662.687906	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H+K"	36.948606
"838955"	578.861706	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H+K"	36.948606
"1560618"	578.861706	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K-2H"	36.948606
"950325"	586.911294	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+HCOOH"	44.998194
"372914"	1128.824401	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+HCOOH-H"	44.998201
"354611"	1142.840051	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Hac-H"	59.013851
"1494698"	600.926951	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Hac-H"	59.013851
"962238"	608.893251	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+NaCOOH"	66.980151
"111871"	576.882502	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2Cl"	69.938804
"560546"	847.839052	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2Cl"	69.938804
"1030436"	305.925952	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2Cl"	69.938804
"1251839"	620.831985	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Br"	78.918885
"1306631"	622.887972	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl+HCOOH"	80.974872
"1321573"	644.869929	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl+NaCOOH"	102.956829
"921032"	654.898686	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+CF3COOH"	112.985586
"1291179"	690.875364	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl+CF3COOH"	148.962264
"1373716"	506.900424	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H-2H2O"	-35.012676
"1383557"	524.9104	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H-H2O"	-17.0027
"282862"	1084.833476	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H"	1.007276
"686601"	1626.746576	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H"	1.007276
"1358577"	542.920376	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H"	1.007276
"132561"	542.920376	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2H"	2.014552
"575403"	813.876926	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2H"	2.014552
"1046389"	271.963826	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2H"	2.014552
"213196"	362.282676	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+3H"	3.021828
"645465"	542.920376	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+3H"	3.021828
"1165411"	181.644976	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+3H"	3.021828
"431962"	1101.860023	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+NH4"	18.033823
"792959"	1643.773123	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+NH4"	18.033823
"1688195"	559.946923	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+NH4"	18.033823
"336475"	551.4336495	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H+NH4"	19.041099
"724522"	822.3901995	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H+NH4"	19.041099
"1479801"	280.4770995	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+NH4"	19.041099
"394471"	1106.815418	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Na"	22.989218
"759114"	1648.728518	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+Na"	22.989218
"1605027"	564.902318	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na"	22.989218
"316156"	553.911347	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H+Na"	23.996494
"709306"	824.867897	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H+Na"	23.996494
"1463489"	282.954797	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+Na"	23.996494
"1053940"	188.97229	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2H+Na"	25.00377
"1258414"	574.946586	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+CH3OH+H"	33.033486
"378444"	1122.789358	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+K"	38.963158
"740896"	1664.702458	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+K"	38.963158
"1540526"	580.876258	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K"	38.963158
"299768"	561.898317	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H+K"	39.970434
"692190"	832.854867	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H+K"	39.970434
"1450023"	290.941767	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+K"	39.970434
"246291"	1125.860026	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+ACN+H"	42.033826
"1220093"	583.946926	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+ACN+H"	42.033826
"1202884"	292.477101	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+ACN+2H"	43.041102
"197943"	1128.79736	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2Na-H"	44.97116
"635317"	1670.71046	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2Na-H"	44.97116
"1144291"	586.88426	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2Na-H"	44.97116
"177739"	564.902318	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2Na"	45.978436
"625683"	835.858868	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2Na"	45.978436
"1126272"	293.945768	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2Na"	45.978436
"1402870"	196.299604	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+2Na"	46.985712
"1432436"	588.925846	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+HCOOH"	47.012746
"223955"	569.93534	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+3H2O+2H"	56.04448
"1510193"	602.97789	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+IsoProp+H"	61.06479
"411339"	572.889288	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Na+K"	61.952376
"773062"	843.845838	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+Na+K"	61.952376
"1666112"	301.932738	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na+K"	61.952376
"252144"	1147.841968	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+ACN+Na"	64.015768
"1226193"	605.928868	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+ACN+Na"	64.015768
"1717511"	605.952393	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+NH4+HCOOH"	64.039293
"1186878"	203.626918	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+3Na"	68.967654
"1653492"	610.907788	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na+HCOOH"	68.994688
"168013"	1160.74524	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2K-H"	76.91904
"607573"	1702.65834	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2K-H"	76.91904
"1092084"	618.83214	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2K-H"	76.91904
"148901"	580.876258	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2K"	77.926316
"587368"	851.832808	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2K"	77.926316
"1074066"	309.919708	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2K"	77.926316
"1108371"	620.846692	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2K+H"	78.933592
"1344753"	620.934307	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+DMSO+H"	79.021207
"1014379"	624.973476	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2ACN+H"	83.060376
"1532503"	625.967108	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+IsoProp+Na+H"	84.054008
"996765"	312.990376	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2ACN+2H"	84.067652
"1594549"	626.881728	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K+HCOOH"	84.968628
"1421302"	656.913238	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+CF3COOH"	115.000138
"1153777"	333.503651	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+3ACN+2H"	125.094202
"1701144"	673.939785	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+NH4+CF3COOH"	132.026685
"1646639"	678.89518	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na+CF3COOH"	136.98208
"1572449"	694.86912	"C03897"	"Quercetin 337-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K+CF3COOH"	152.95602
"815942"	541.9131	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M"	0
"982912"	522.89471	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H2O-H"	-19.01839
"78171"	360.268124	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-3H"	-3.021828
"518257"	540.905824	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-3H"	-3.021828
"895006"	179.630424	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-3H"	-3.021828
"15362"	540.905824	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H"	-2.014552
"454921"	811.862374	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H"	-2.014552
"832412"	269.949274	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H"	-2.014552
"94256"	1082.818924	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-H"	-1.007276
"533007"	1624.732024	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-H"	-1.007276
"910567"	540.905824	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H"	-1.007276
"62747"	1099.845471	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H+NH4"	16.019271
"499031"	1641.758571	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H+NH4"	16.019271
"878780"	557.932371	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H+NH4"	16.019271
"46805"	1104.800866	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H+Na"	20.974666
"487015"	1646.713966	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H+Na"	20.974666
"864116"	562.887766	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H+Na"	20.974666
"1634030"	562.887766	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na-2H"	20.974666
"108156"	558.894163	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-H+Cl"	33.962126
"549909"	829.850713	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-H+Cl"	33.962126
"942610"	287.937613	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+Cl"	33.962126
"279786"	1118.795602	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Cl"	34.969402
"671119"	1660.708702	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+Cl"	34.969402
"1274774"	576.882502	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl"	34.969402
"18786"	1120.774806	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M-2H+K"	36.948606
"459077"	1662.687906	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M-2H+K"	36.948606
"835784"	578.861706	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-2H+K"	36.948606
"1570205"	578.861706	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K-2H"	36.948606
"950435"	586.911294	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+HCOOH"	44.998194
"371931"	1128.824401	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+HCOOH-H"	44.998201
"358002"	1142.840051	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Hac-H"	59.013851
"1499183"	600.926951	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Hac-H"	59.013851
"970002"	608.893251	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+NaCOOH"	66.980151
"117816"	576.882502	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2Cl"	69.938804
"551911"	847.839052	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2Cl"	69.938804
"1031641"	305.925952	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2Cl"	69.938804
"1247941"	620.831985	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Br"	78.918885
"1306500"	622.887972	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl+HCOOH"	80.974872
"1322780"	644.869929	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl+NaCOOH"	102.956829
"921142"	654.898686	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M-H+CF3COOH"	112.985586
"1294569"	690.875364	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Cl+CF3COOH"	148.962264
"1373826"	506.900424	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H-2H2O"	-35.012676
"1383667"	524.9104	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H-H2O"	-17.0027
"283103"	1084.833476	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H"	1.007276
"682337"	1626.746576	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H"	1.007276
"1358687"	542.920376	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H"	1.007276
"137045"	542.920376	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2H"	2.014552
"575513"	813.876926	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2H"	2.014552
"1046499"	271.963826	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2H"	2.014552
"214399"	362.282676	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+3H"	3.021828
"648490"	542.920376	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+3H"	3.021828
"1169896"	181.644976	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+3H"	3.021828
"434261"	1101.860023	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+NH4"	18.033823
"797444"	1643.773123	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+NH4"	18.033823
"1690492"	559.946923	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+NH4"	18.033823
"337679"	551.4336495	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H+NH4"	19.041099
"730099"	822.3901995	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H+NH4"	19.041099
"1483919"	280.4770995	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+NH4"	19.041099
"397497"	1106.815418	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Na"	22.989218
"762504"	1648.728518	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+Na"	22.989218
"1606231"	564.902318	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na"	22.989218
"316264"	553.911347	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H+Na"	23.996494
"708687"	824.867897	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H+Na"	23.996494
"1465785"	282.954797	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+Na"	23.996494
"1057936"	188.97229	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2H+Na"	25.00377
"1258525"	574.946586	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+CH3OH+H"	33.033486
"378555"	1122.789358	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+K"	38.963158
"741370"	1664.702458	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+K"	38.963158
"1540394"	580.876258	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K"	38.963158
"298784"	561.898317	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+H+K"	39.970434
"692178"	832.854867	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+H+K"	39.970434
"1450134"	290.941767	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+K"	39.970434
"246401"	1125.860026	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+ACN+H"	42.033826
"1215828"	583.946926	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+ACN+H"	42.033826
"1199714"	292.477101	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+ACN+2H"	43.041102
"195866"	1128.79736	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2Na-H"	44.97116
"633239"	1670.71046	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2Na-H"	44.97116
"1138933"	586.88426	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2Na-H"	44.97116
"178212"	564.902318	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2Na"	45.978436
"622876"	835.858868	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2Na"	45.978436
"1119454"	293.945768	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2Na"	45.978436
"1402980"	196.299604	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+2Na"	46.985712
"1432544"	588.925846	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+HCOOH"	47.012746
"225159"	569.93534	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+3H2O+2H"	56.04448
"1515408"	602.97789	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+IsoProp+H"	61.06479
"411815"	572.889288	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+Na+K"	61.952376
"771351"	843.845838	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+Na+K"	61.952376
"1666951"	301.932738	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na+K"	61.952376
"252371"	1147.841968	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+ACN+Na"	64.015768
"1226420"	605.928868	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+ACN+Na"	64.015768
"1715799"	605.952393	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+NH4+HCOOH"	64.039293
"1183708"	203.626918	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+3Na"	68.967654
"1653601"	610.907788	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na+HCOOH"	68.994688
"160095"	1160.74524	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2K-H"	76.91904
"608774"	1702.65834	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2K-H"	76.91904
"1094382"	618.83214	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2K-H"	76.91904
"150102"	580.876258	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"2M+2K"	77.926316
"595379"	851.832808	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"3M+2K"	77.926316
"1076363"	309.919708	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2K"	77.926316
"1112490"	620.846692	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2K+H"	78.933592
"1349604"	620.934307	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+DMSO+H"	79.021207
"1010114"	624.973476	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2ACN+H"	83.060376
"1528241"	625.967108	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+IsoProp+Na+H"	84.054008
"1005140"	312.990376	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+2ACN+2H"	84.067652
"1591379"	626.881728	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K+HCOOH"	84.968628
"1427975"	656.913238	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+H+CF3COOH"	115.000138
"1152796"	333.503651	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+3ACN+2H"	125.094202
"1710002"	673.939785	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+NH4+CF3COOH"	132.026685
"1646749"	678.89518	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+Na+CF3COOH"	136.98208
"1571465"	694.86912	"C03898"	"Quercetin 347-trissulfate"	"C15H10O16S3"	"541.9131"	"M+K+CF3COOH"	152.95602
"809490"	274.9616	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M"	0
"985210"	255.94321	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-H2O-H"	-19.01839
"78227"	182.300457333333	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M-3H"	-3.021828
"516298"	273.954324	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M-3H"	-3.021828
"891909"	90.6465906666667	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-3H"	-3.021828
"14740"	273.954324	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M-2H"	-2.014552
"455442"	411.435124	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M-2H"	-2.014552
"832104"	136.473524	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-2H"	-2.014552
"87844"	548.915924	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M-H"	-1.007276
"531778"	823.877524	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M-H"	-1.007276
"911167"	273.954324	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-H"	-1.007276
"60553"	565.942471	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M-2H+NH4"	16.019271
"495860"	840.904071	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M-2H+NH4"	16.019271
"876943"	290.980871	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-2H+NH4"	16.019271
"42655"	570.897866	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M-2H+Na"	20.974666
"484401"	845.859466	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M-2H+Na"	20.974666
"862571"	295.936266	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-2H+Na"	20.974666
"1631737"	295.936266	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Na-2H"	20.974666
"104986"	291.942663	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M-H+Cl"	33.962126
"545639"	429.423463	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M-H+Cl"	33.962126
"935874"	154.461863	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-H+Cl"	33.962126
"273336"	584.892602	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+Cl"	34.969402
"665758"	859.854202	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+Cl"	34.969402
"1274883"	309.931002	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Cl"	34.969402
"18534"	586.871806	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M-2H+K"	36.948606
"460279"	861.833406	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M-2H+K"	36.948606
"841365"	311.910206	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-2H+K"	36.948606
"1565945"	311.910206	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+K-2H"	36.948606
"956013"	319.959794	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-H+HCOOH"	44.998194
"375323"	594.921401	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+HCOOH-H"	44.998201
"360177"	608.937051	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+Hac-H"	59.013851
"1502573"	333.975451	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Hac-H"	59.013851
"970114"	341.941751	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-H+NaCOOH"	66.980151
"111363"	309.931002	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+2Cl"	69.938804
"550438"	447.411802	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+2Cl"	69.938804
"1023732"	172.450202	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2Cl"	69.938804
"1244036"	353.880485	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Br"	78.918885
"1305027"	355.936472	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Cl+HCOOH"	80.974872
"1322902"	377.918429	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Cl+NaCOOH"	102.956829
"919065"	387.947186	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M-H+CF3COOH"	112.985586
"1292129"	423.923864	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Cl+CF3COOH"	148.962264
"1376122"	239.948924	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H-2H2O"	-35.012676
"1390338"	257.9589	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H-H2O"	-17.0027
"284069"	550.930476	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+H"	1.007276
"678071"	825.892076	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+H"	1.007276
"1356609"	275.968876	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H"	1.007276
"137155"	275.968876	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+2H"	2.014552
"572342"	413.449676	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+2H"	2.014552
"1041140"	138.488076	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2H"	2.014552
"210132"	184.315009333333	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+3H"	3.021828
"649694"	275.968876	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+3H"	3.021828
"1168913"	92.6611426666667	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+3H"	3.021828
"433274"	567.957023	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+NH4"	18.033823
"794274"	842.918623	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+NH4"	18.033823
"1690602"	292.995423	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+NH4"	18.033823
"337790"	284.4821495	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+H+NH4"	19.041099
"727295"	421.9629495	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+H+NH4"	19.041099
"1484030"	147.0013495	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H+NH4"	19.041099
"397606"	572.912418	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+Na"	22.989218
"757511"	847.874018	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+Na"	22.989218
"1604398"	297.950818	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Na"	22.989218
"316744"	286.959847	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+H+Na"	23.996494
"710983"	424.440647	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+H+Na"	23.996494
"1464077"	149.479047	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H+Na"	23.996494
"1055858"	99.9884566666667	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2H+Na"	25.00377
"1260821"	307.995086	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+CH3OH+H"	33.033486
"379758"	588.886358	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+K"	38.963158
"739095"	863.847958	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+K"	38.963158
"1541356"	313.924758	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+K"	38.963158
"298620"	294.946817	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+H+K"	39.970434
"693139"	432.427617	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+H+K"	39.970434
"1452437"	157.466017	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H+K"	39.970434
"241040"	591.957026	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+ACN+H"	42.033826
"1211195"	316.995426	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+ACN+H"	42.033826
"1198364"	159.001351	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+ACN+2H"	43.041102
"193421"	594.89436	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+2Na-H"	44.97116
"634077"	869.85596	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+2Na-H"	44.97116
"1139044"	319.93276	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2Na-H"	44.97116
"180509"	297.950818	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+2Na"	45.978436
"617153"	435.431618	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+2Na"	45.978436
"1122484"	160.470018	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2Na"	45.978436
"1402361"	107.315770666667	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H+2Na"	46.985712
"1434844"	321.974346	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H+HCOOH"	47.012746
"224905"	302.98384	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+3H2O+2H"	56.04448
"1513696"	336.02639	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+IsoProp+H"	61.06479
"412653"	305.937788	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+Na+K"	61.952376
"773647"	443.418588	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+Na+K"	61.952376
"1668154"	168.456988	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Na+K"	61.952376
"252852"	613.938968	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+ACN+Na"	64.015768
"1227381"	338.977368	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+ACN+Na"	64.015768
"1714081"	339.000893	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+NH4+HCOOH"	64.039293
"1179440"	114.643084666667	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+3Na"	68.967654
"1650343"	343.956288	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Na+HCOOH"	68.994688
"159843"	626.84224	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+2K-H"	76.91904
"603415"	901.80384	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+2K-H"	76.91904
"1091208"	351.88064	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2K-H"	76.91904
"149119"	313.924758	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"2M+2K"	77.926316
"589775"	451.405558	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"3M+2K"	77.926316
"1080848"	176.443958	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2K"	77.926316
"1111869"	353.895192	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2K+H"	78.933592
"1349471"	353.982807	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+DMSO+H"	79.021207
"1013504"	358.021976	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2ACN+H"	83.060376
"1529442"	359.015608	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+IsoProp+Na+H"	84.054008
"994797"	179.514626	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+2ACN+2H"	84.067652
"1590396"	359.930228	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+K+HCOOH"	84.968628
"1428084"	389.961738	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+H+CF3COOH"	115.000138
"1156186"	200.027901	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+3ACN+2H"	125.094202
"1710112"	406.988285	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+NH4+CF3COOH"	132.026685
"1635925"	411.94368	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+Na+CF3COOH"	136.98208
"1571613"	427.91762	"C03900"	"S-(4-Bromophenyl)-L-cysteine"	"C9H10BrNO2S"	"274.9616"	"M+K+CF3COOH"	152.95602
"809600"	147.0354	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M"	0
"980947"	128.01701	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-H2O-H"	-19.01839
"77697"	97.016324	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M-3H"	-3.021828
"516772"	146.028124	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M-3H"	-3.021828
"889832"	48.004524	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-3H"	-3.021828
"14971"	146.028124	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M-2H"	-2.014552
"453440"	219.545824	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M-2H"	-2.014552
"830148"	72.510424	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-2H"	-2.014552
"92327"	293.063524	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M-H"	-1.007276
"528608"	440.098924	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M-H"	-1.007276
"909326"	146.028124	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-H"	-1.007276
"57503"	310.090071	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M-2H+NH4"	16.019271
"500343"	457.125471	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M-2H+NH4"	16.019271
"876687"	163.054671	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-2H+NH4"	16.019271
"42765"	315.045466	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M-2H+Na"	20.974666
"484876"	462.080866	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M-2H+Na"	20.974666
"861217"	168.010066	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-2H+Na"	20.974666
"1631850"	168.010066	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Na-2H"	20.974666
"108254"	164.016463	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M-H+Cl"	33.962126
"543562"	237.534163	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M-H+Cl"	33.962126
"932704"	90.498763	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-H+Cl"	33.962126
"271259"	329.040202	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+Cl"	34.969402
"664775"	476.075602	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+Cl"	34.969402
"1274629"	182.004802	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Cl"	34.969402
"20831"	331.019406	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M-2H+K"	36.948606
"459296"	478.054806	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M-2H+K"	36.948606
"843661"	183.984006	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-2H+K"	36.948606
"1568970"	183.984006	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+K-2H"	36.948606
"952843"	192.033594	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-H+HCOOH"	44.998194
"369964"	339.069001	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+HCOOH-H"	44.998201
"357129"	353.084651	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+Hac-H"	59.013851
"1498309"	206.049251	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Hac-H"	59.013851
"968038"	214.015551	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-H+NaCOOH"	66.980151
"110745"	182.004802	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+2Cl"	69.938804
"550307"	255.522502	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+2Cl"	69.938804
"1028582"	108.487102	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2Cl"	69.938804
"1248160"	225.954285	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Br"	78.918885
"1304895"	228.010272	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Cl+HCOOH"	80.974872
"1322648"	249.992229	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Cl+NaCOOH"	102.956829
"916988"	260.020986	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M-H+CF3COOH"	112.985586
"1294790"	295.997664	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Cl+CF3COOH"	148.962264
"1370764"	112.022724	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H-2H2O"	-35.012676
"1390448"	130.0327	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H-H2O"	-17.0027
"287947"	295.078076	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+H"	1.007276
"677087"	442.113476	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+H"	1.007276
"1353070"	148.042676	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H"	1.007276
"128873"	148.042676	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+2H"	2.014552
"574635"	221.560376	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+2H"	2.014552
"1041251"	74.524976	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2H"	2.014552
"212430"	99.030876	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+3H"	3.021828
"650898"	148.042676	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+3H"	3.021828
"1170118"	50.019076	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+3H"	3.021828
"431201"	312.104623	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+NH4"	18.033823
"794384"	459.140023	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+NH4"	18.033823
"1687432"	165.069223	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+NH4"	18.033823
"335713"	156.5559495	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+H+NH4"	19.041099
"727041"	230.0736495	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+H+NH4"	19.041099
"1483045"	83.0382495	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H+NH4"	19.041099
"396260"	317.060018	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+Na"	22.989218
"757255"	464.095418	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+Na"	22.989218
"1602885"	170.024618	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Na"	22.989218
"314362"	159.033647	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+H+Na"	23.996494
"707691"	232.551347	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+H+Na"	23.996494
"1462240"	85.515947	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H+Na"	23.996494
"1053053"	57.34639	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2H+Na"	25.00377
"1258134"	180.068886	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+CH3OH+H"	33.033486
"378045"	333.033958	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+K"	38.963158
"738538"	480.069358	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+K"	38.963158
"1539954"	185.998558	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+K"	38.963158
"299605"	167.020617	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+H+K"	39.970434
"691792"	240.538317	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+H+K"	39.970434
"1452547"	93.502917	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H+K"	39.970434
"241150"	336.104626	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+ACN+H"	42.033826
"1211306"	189.069226	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+ACN+H"	42.033826
"1198474"	95.038251	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+ACN+2H"	43.041102
"193167"	339.04196	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+2Na-H"	44.97116
"634187"	486.07736	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+2Na-H"	44.97116
"1139154"	192.00656	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2Na-H"	44.97116
"180255"	170.024618	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+2Na"	45.978436
"617263"	243.542318	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+2Na"	45.978436
"1122230"	96.506918	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2Na"	45.978436
"1403200"	64.673704	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H+2Na"	46.985712
"1435684"	194.048146	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H+HCOOH"	47.012746
"222095"	175.05764	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+3H2O+2H"	56.04448
"1511253"	208.10019	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+IsoProp+H"	61.06479
"409845"	178.011588	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+Na+K"	61.952376
"771570"	251.529288	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+Na+K"	61.952376
"1665639"	104.493888	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Na+K"	61.952376
"251868"	358.086568	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+ACN+Na"	64.015768
"1225912"	211.051168	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+ACN+Na"	64.015768
"1713215"	211.074693	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+NH4+HCOOH"	64.039293
"1178943"	72.001018	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+3Na"	68.967654
"1650087"	216.030088	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Na+HCOOH"	68.994688
"160682"	370.98984	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+2K-H"	76.91904
"604618"	518.02524	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+2K-H"	76.91904
"1091318"	223.95444	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2K-H"	76.91904
"149229"	185.998558	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"2M+2K"	77.926316
"592072"	259.516258	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"3M+2K"	77.926316
"1082052"	112.480858	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2K"	77.926316
"1111979"	225.968992	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2K+H"	78.933592
"1350189"	226.056607	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+DMSO+H"	79.021207
"1013614"	230.095776	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2ACN+H"	83.060376
"1531739"	231.089408	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+IsoProp+Na+H"	84.054008
"994907"	115.551526	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+2ACN+2H"	84.067652
"1590505"	232.004028	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+K+HCOOH"	84.968628
"1424914"	262.035538	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+H+CF3COOH"	115.000138
"1156296"	136.064801	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+3ACN+2H"	125.094202
"1706942"	279.062085	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+NH4+CF3COOH"	132.026685
"1636035"	284.01748	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+Na+CF3COOH"	136.98208
"1571686"	299.99142	"C03901"	"Thiomorpholine 3-carboxylate"	"C5H9NO2S"	"147.0354"	"M+K+CF3COOH"	152.95602
"809712"	230.0192	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"975953"	211.00081	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"72581"	152.338857333333	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"514329"	229.011924	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"891039"	75.6657906666667	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"10708"	229.011924	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"451363"	344.021524	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"831838"	114.002324	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"88063"	459.031124	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"530902"	689.050324	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"901777"	229.011924	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"58704"	476.057671	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"494983"	706.076871	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"873878"	246.038471	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"41778"	481.013066	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"482433"	711.032266	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"858048"	250.993866	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1625394"	250.993866	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"98643"	247.000263	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"536018"	362.009863	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"929531"	131.990663	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"273561"	495.007802	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"663795"	725.027002	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1276196"	264.988602	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"19479"	496.987006	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"458678"	727.006206	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"836115"	266.967806	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1557779"	266.967806	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"944929"	275.017394	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"368982"	505.036601	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"350679"	519.052251	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1503885"	289.033051	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"970333"	296.999351	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"117053"	264.988602	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"553695"	379.998202	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1022856"	149.979002	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1250471"	308.938085	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1314012"	310.994072	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1324947"	332.976029	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"913818"	343.004786	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1289433"	378.981464	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1367954"	195.006524	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1384354"	213.0165	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"283355"	461.045676	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"676586"	691.064876	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1353907"	231.026476	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"140740"	231.026476	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"576935"	346.036076	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1049745"	116.016876	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"213634"	154.353409333333	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"649187"	231.026476	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1172413"	77.6803426666667	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"431312"	478.072223	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"798868"	708.091423	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1690824"	248.053023	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"341291"	239.5397495	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"725333"	354.5493495	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1480244"	124.5301495	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"393824"	483.027618	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"758469"	713.046818	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1603324"	253.008418	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"314650"	242.017447	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"707684"	357.027047	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1462111"	127.007847	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1053288"	85.0076566666667	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1257764"	263.052686	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"378164"	499.001558	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"740986"	729.020758	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1540126"	268.982358	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"304956"	250.004417	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"697748"	365.014017	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1451931"	134.994817	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"244543"	502.072226	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1214336"	272.053026	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1201136"	136.530151	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"199476"	505.00956	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"635756"	735.02876	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1134888"	274.99036	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"177089"	253.008418	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"617739"	368.018018	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1123433"	137.998818	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1401487"	92.3349706666667	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1433971"	277.031946	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"222936"	258.04144	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1508809"	291.08399	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"408859"	260.995388	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"770375"	376.004988	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1665943"	145.985788	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"254171"	524.054168	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1226143"	294.034968	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1718685"	294.058493	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1179174"	99.6622846666667	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1652473"	299.013888	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"158480"	536.95744	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"604732"	766.97664	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1092524"	306.93824	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"147155"	268.982358	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"592182"	383.991958	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1078882"	153.972758	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1108811"	308.952792	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1344101"	309.040407	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1018100"	313.079576	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1531852"	314.073208	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"1000487"	157.043426	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1592804"	314.987828	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1425024"	345.019338	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1150574"	177.556701	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1698306"	362.045885	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1636148"	367.00128	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1576174"	382.97522	"C03906"	"beta-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"809822"	428.3654	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M"	0
"974562"	409.34701	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-H2O-H"	-19.01839
"70502"	284.569657333333	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M-3H"	-3.021828
"511158"	427.358124	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M-3H"	-3.021828
"890056"	141.781190666667	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-3H"	-3.021828
"8631"	427.358124	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M-2H"	-2.014552
"450379"	641.540824	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M-2H"	-2.014552
"828180"	213.175424	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-2H"	-2.014552
"88173"	855.723524	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M-H"	-1.007276
"528825"	1284.088924	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M-H"	-1.007276
"899700"	427.358124	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-H"	-1.007276
"52252"	872.750071	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M-2H+NH4"	16.019271
"489988"	1301.115471	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M-2H+NH4"	16.019271
"869976"	444.384671	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-2H+NH4"	16.019271
"36782"	877.705466	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M-2H+Na"	20.974666
"476342"	1306.070866	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M-2H+Na"	20.974666
"854877"	449.340066	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-2H+Na"	20.974666
"1625504"	449.340066	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Na-2H"	20.974666
"99116"	445.346463	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M-H+Cl"	33.962126
"535396"	659.529163	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M-H+Cl"	33.962126
"928913"	231.163763	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-H+Cl"	33.962126
"267878"	891.700202	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+Cl"	34.969402
"667185"	1320.065602	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+Cl"	34.969402
"1274848"	463.334802	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Cl"	34.969402
"19589"	893.679406	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M-2H+K"	36.948606
"458424"	1322.044806	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M-2H+K"	36.948606
"836225"	465.314006	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-2H+K"	36.948606
"1559712"	465.314006	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+K-2H"	36.948606
"944314"	473.363594	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-H+HCOOH"	44.998194
"367999"	901.729001	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+HCOOH-H"	44.998201
"352975"	915.744651	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+Hac-H"	59.013851
"1499621"	487.379251	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Hac-H"	59.013851
"970443"	495.345551	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-H+NaCOOH"	66.980151
"124089"	463.334802	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+2Cl"	69.938804
"552349"	677.517502	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+2Cl"	69.938804
"1025156"	249.152102	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2Cl"	69.938804
"1250581"	507.284285	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Br"	78.918885
"1315215"	509.340272	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Cl+HCOOH"	80.974872
"1323964"	531.322229	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Cl+NaCOOH"	102.956829
"913928"	541.350986	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M-H+CF3COOH"	112.985586
"1290635"	577.327664	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Cl+CF3COOH"	148.962264
"1369158"	393.352724	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H-2H2O"	-35.012676
"1385196"	411.3627	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H-H2O"	-17.0027
"283791"	857.738076	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+H"	1.007276
"677060"	1286.103476	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+H"	1.007276
"1355110"	429.372676	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H"	1.007276
"126912"	429.372676	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+2H"	2.014552
"573765"	643.555376	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+2H"	2.014552
"1046938"	215.189976	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2H"	2.014552
"212651"	286.584209333333	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+3H"	3.021828
"647838"	429.372676	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+3H"	3.021828
"1170336"	143.795742666667	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+3H"	3.021828
"432515"	874.764623	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+NH4"	18.033823
"799343"	1303.130023	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+NH4"	18.033823
"1690934"	446.399223	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+NH4"	18.033823
"340307"	437.8859495	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+H+NH4"	19.041099
"731632"	652.0686495	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+H+NH4"	19.041099
"1483270"	223.7032495	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H+NH4"	19.041099
"393936"	879.720018	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+Na"	22.989218
"754443"	1308.085418	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+Na"	22.989218
"1603025"	451.354618	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Na"	22.989218
"315980"	440.363647	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+H+Na"	23.996494
"707671"	654.546347	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+H+Na"	23.996494
"1463195"	226.180947	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H+Na"	23.996494
"1055103"	151.123056666667	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2H+Na"	25.00377
"1258969"	461.398886	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+CH3OH+H"	33.033486
"379002"	895.693958	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+K"	38.963158
"741096"	1324.059358	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+K"	38.963158
"1540226"	467.328558	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+K"	38.963158
"305066"	448.350617	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+H+K"	39.970434
"696765"	662.533317	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+H+K"	39.970434
"1450219"	234.167917	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H+K"	39.970434
"242830"	898.764626	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+ACN+H"	42.033826
"1213717"	470.399226	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+ACN+H"	42.033826
"1201610"	235.703251	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+ACN+2H"	43.041102
"200315"	901.70196	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+2Na-H"	44.97116
"632584"	1330.06736	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+2Na-H"	44.97116
"1135363"	473.33656	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2Na-H"	44.97116
"174641"	451.354618	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+2Na"	45.978436
"617849"	665.537318	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+2Na"	45.978436
"1120626"	237.171918	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2Na"	45.978436
"1401596"	158.450370666667	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H+2Na"	46.985712
"1431159"	475.378146	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H+HCOOH"	47.012746
"223043"	456.38764	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+3H2O+2H"	56.04448
"1509647"	489.43019	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+IsoProp+H"	61.06479
"409009"	459.341588	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+Na+K"	61.952376
"770245"	673.524288	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+Na+K"	61.952376
"1665932"	245.158888	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Na+K"	61.952376
"253915"	920.746568	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+ACN+Na"	64.015768
"1226009"	492.381168	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+ACN+Na"	64.015768
"1715879"	492.404693	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+NH4+HCOOH"	64.039293
"1179082"	165.777684666667	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+3Na"	68.967654
"1651855"	497.360088	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Na+HCOOH"	68.994688
"158469"	933.64984	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+2K-H"	76.91904
"604842"	1362.01524	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+2K-H"	76.91904
"1091540"	505.28444	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2K-H"	76.91904
"147265"	467.328558	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"2M+2K"	77.926316
"591199"	681.511258	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"3M+2K"	77.926316
"1078992"	253.145858	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2K"	77.926316
"1108921"	507.298992	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2K+H"	78.933592
"1343118"	507.386607	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+DMSO+H"	79.021207
"1017117"	511.425776	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2ACN+H"	83.060376
"1527588"	512.419408	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+IsoProp+Na+H"	84.054008
"995130"	256.216526	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+2ACN+2H"	84.067652
"1592914"	513.334028	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+K+HCOOH"	84.968628
"1424041"	543.365538	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+H+CF3COOH"	115.000138
"1148133"	276.729801	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+3ACN+2H"	125.094202
"1698050"	560.392085	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+NH4+CF3COOH"	132.026685
"1636622"	565.34748	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+Na+CF3COOH"	136.98208
"1576284"	581.32142	"C03910"	"(24R24(1)R)-Fucosterol epoxide;(24R28R)-Fucosterol epoxide;(3beta24R28R)-2428-Epoxystigmast-5-en-3-ol;(24R24R)-Fucosterol epoxide"	"C29H48O2"	"428.3654"	"M+K+CF3COOH"	152.95602
"812120"	113.0477	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M"	0
"984560"	94.02931	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-H2O-H"	-19.01839
"71708"	74.3578573333333	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M-3H"	-3.021828
"516735"	112.040424	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M-3H"	-3.021828
"892720"	36.6752906666667	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-3H"	-3.021828
"13844"	112.040424	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H"	-2.014552
"454620"	168.564274	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H"	-2.014552
"831570"	55.516574	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H"	-2.014552
"89378"	225.088124	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M-H"	-1.007276
"530030"	338.135824	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M-H"	-1.007276
"902364"	112.040424	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-H"	-1.007276
"55643"	242.114671	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+NH4"	16.019271
"491193"	355.162371	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+NH4"	16.019271
"867171"	129.066971	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+NH4"	16.019271
"41997"	247.070066	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+Na"	20.974666
"475361"	360.117766	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+Na"	20.974666
"854987"	134.022366	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+Na"	20.974666
"1622333"	134.022366	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na-2H"	20.974666
"97402"	130.028763	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M-H+Cl"	33.962126
"535988"	186.552613	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M-H+Cl"	33.962126
"928652"	73.504913	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+Cl"	33.962126
"269040"	261.064802	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Cl"	34.969402
"662191"	374.112502	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Cl"	34.969402
"1274958"	148.017102	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl"	34.969402
"21158"	263.044006	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+K"	36.948606
"458534"	376.091706	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+K"	36.948606
"836334"	149.996306	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+K"	36.948606
"1559822"	149.996306	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+K-2H"	36.948606
"944424"	158.045894	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+HCOOH"	44.998194
"367016"	271.093601	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+HCOOH-H"	44.998201
"351992"	285.109251	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Hac-H"	59.013851
"1498638"	172.061551	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Hac-H"	59.013851
"972740"	180.027851	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+NaCOOH"	66.980151
"121647"	148.017102	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Cl"	69.938804
"556834"	204.540952	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Cl"	69.938804
"1024540"	91.493252	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Cl"	69.938804
"1252878"	191.966585	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Br"	78.918885
"1313139"	194.022572	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+HCOOH"	80.974872
"1324074"	216.004529	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+NaCOOH"	102.956829
"915131"	226.033286	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+CF3COOH"	112.985586
"1290381"	262.009964	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+CF3COOH"	148.962264
"1372187"	78.035024	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H-2H2O"	-35.012676
"1385308"	96.045	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H-H2O"	-17.0027
"288276"	227.102676	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H"	1.007276
"678874"	340.150376	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H"	1.007276
"1354857"	114.054976	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H"	1.007276
"130663"	114.054976	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2H"	2.014552
"573875"	170.578826	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2H"	2.014552
"1049600"	57.531126	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2H"	2.014552
"210937"	76.3724093333333	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+3H"	3.021828
"650135"	114.054976	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+3H"	3.021828
"1170446"	38.6898426666667	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+3H"	3.021828
"432625"	244.129223	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+NH4"	18.033823
"797266"	357.176923	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+NH4"	18.033823
"1692137"	131.081523	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4"	18.033823
"339324"	122.5682495	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+NH4"	19.041099
"729555"	179.0920995	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+NH4"	19.041099
"1483382"	66.0443995	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+NH4"	19.041099
"395868"	249.084618	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Na"	22.989218
"757594"	362.132318	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Na"	22.989218
"1605691"	136.036918	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na"	22.989218
"317912"	125.045947	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+Na"	23.996494
"710331"	181.569797	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+Na"	23.996494
"1462210"	68.522097	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+Na"	23.996494
"1054119"	46.0171566666667	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2H+Na"	25.00377
"1261266"	146.081186	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+CH3OH+H"	33.033486
"378748"	265.058558	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+K"	38.963158
"739747"	378.106258	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+K"	38.963158
"1540011"	152.010858	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+K"	38.963158
"302259"	133.032917	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+K"	39.970434
"699061"	189.556767	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+K"	39.970434
"1455067"	76.509067	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+K"	39.970434
"244763"	268.129226	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+ACN+H"	42.033826
"1215285"	155.081526	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+H"	42.033826
"1204635"	78.044401	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+2H"	43.041102
"200060"	271.06656	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Na-H"	44.97116
"632692"	384.11426	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Na-H"	44.97116
"1133403"	158.01886	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Na-H"	44.97116
"177304"	136.036918	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Na"	45.978436
"617959"	192.560768	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Na"	45.978436
"1124748"	79.513068	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Na"	45.978436
"1403165"	53.3444706666667	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+2Na"	46.985712
"1431999"	160.060446	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+HCOOH"	47.012746
"223885"	141.06994	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+3H2O+2H"	56.04448
"1511217"	174.11249	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+IsoProp+H"	61.06479
"411632"	144.023888	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Na+K"	61.952376
"771169"	200.547738	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Na+K"	61.952376
"1667497"	87.500038	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+K"	61.952376
"256213"	290.111168	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+ACN+Na"	64.015768
"1226727"	177.063468	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+Na"	64.015768
"1717812"	177.086993	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4+HCOOH"	64.039293
"1181341"	60.6717846666667	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+3Na"	68.967654
"1656338"	182.042388	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+HCOOH"	68.994688
"158460"	303.01444	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2K-H"	76.91904
"604952"	416.06214	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2K-H"	76.91904
"1091649"	189.96674	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K-H"	76.91904
"152843"	152.010858	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2K"	77.926316
"591309"	208.534708	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2K"	77.926316
"1074730"	95.487008	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K"	77.926316
"1109031"	191.981292	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K+H"	78.933592
"1344323"	192.068907	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+DMSO+H"	79.021207
"1013946"	196.108076	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2ACN+H"	83.060376
"1534260"	197.101708	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+IsoProp+Na+H"	84.054008
"998521"	98.557676	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+2ACN+2H"	84.067652
"1601288"	198.016328	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+K+HCOOH"	84.968628
"1429255"	228.047838	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+CF3COOH"	115.000138
"1148975"	119.070951	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+3ACN+2H"	125.094202
"1700713"	245.074385	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4+CF3COOH"	132.026685
"1641838"	250.02978	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+CF3COOH"	136.98208
"1582956"	266.00372	"C03912"	"(S)-1-Pyrroline-5-carboxylate;L-1-Pyrroline-5-carboxylate;1-Pyrroline-5-carboxylate"	"C5H7NO2"	"113.0477"	"M+K+CF3COOH"	152.95602
"813324"	217.0739	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M"	0
"985763"	198.05551	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H2O-H"	-19.01839
"78327"	143.708657333333	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-3H"	-3.021828
"517574"	216.066624	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-3H"	-3.021828
"895381"	71.3506906666667	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-3H"	-3.021828
"13226"	216.066624	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H"	-2.014552
"455571"	324.603574	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H"	-2.014552
"830589"	107.529674	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H"	-2.014552
"87300"	433.140524	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-H"	-1.007276
"525767"	650.214424	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-H"	-1.007276
"910130"	216.066624	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H"	-1.007276
"56849"	450.167071	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H+NH4"	16.019271
"494219"	667.240971	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H+NH4"	16.019271
"866916"	233.093171	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H+NH4"	16.019271
"37734"	455.122466	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H+Na"	20.974666
"477295"	672.196366	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H+Na"	20.974666
"855097"	238.048566	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H+Na"	20.974666
"1629005"	238.048566	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na-2H"	20.974666
"96055"	234.054963	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-H+Cl"	33.962126
"536099"	342.591913	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-H+Cl"	33.962126
"929134"	125.518013	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+Cl"	33.962126
"269516"	469.117202	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Cl"	34.969402
"669592"	686.191102	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+Cl"	34.969402
"1284182"	252.043302	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl"	34.969402
"23457"	471.096406	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H+K"	36.948606
"467393"	688.170306	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H+K"	36.948606
"847017"	254.022506	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H+K"	36.948606
"1568682"	254.022506	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K-2H"	36.948606
"952191"	262.072094	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+HCOOH"	44.998194
"370406"	479.146001	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+HCOOH-H"	44.998201
"351009"	493.161651	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Hac-H"	59.013851
"1503121"	276.087751	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Hac-H"	59.013851
"967382"	284.054051	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+NaCOOH"	66.980151
"118477"	252.043302	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2Cl"	69.938804
"553664"	360.580252	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2Cl"	69.938804
"1023557"	143.506352	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2Cl"	69.938804
"1252988"	295.992785	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Br"	78.918885
"1318352"	298.048772	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl+HCOOH"	80.974872
"1332932"	320.030729	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl+NaCOOH"	102.956829
"918522"	330.059486	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+CF3COOH"	112.985586
"1297418"	366.036164	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl+CF3COOH"	148.962264
"1378860"	182.061224	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H-2H2O"	-35.012676
"1387607"	200.0712	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H-H2O"	-17.0027
"288386"	435.155076	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H"	1.007276
"678621"	652.228976	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H"	1.007276
"1356066"	218.081176	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H"	1.007276
"129317"	218.081176	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2H"	2.014552
"571069"	326.618126	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2H"	2.014552
"1048253"	109.544226	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2H"	2.014552
"213966"	145.723209333333	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+3H"	3.021828
"654620"	218.081176	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+3H"	3.021828
"1174929"	73.3652426666667	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+3H"	3.021828
"431643"	452.181623	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+NH4"	18.033823
"795919"	669.255523	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+NH4"	18.033823
"1691155"	235.107723	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+NH4"	18.033823
"337247"	226.5944495	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H+NH4"	19.041099
"730031"	335.1313995	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H+NH4"	19.041099
"1484587"	118.0574995	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+NH4"	19.041099
"396707"	457.137018	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Na"	22.989218
"755516"	674.210918	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+Na"	22.989218
"1603614"	240.063118	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na"	22.989218
"315837"	229.072147	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H+Na"	23.996494
"709349"	337.609097	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H+Na"	23.996494
"1462074"	120.535197	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+Na"	23.996494
"1055321"	80.6925566666667	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2H+Na"	25.00377
"1258091"	250.107386	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+CH3OH+H"	33.033486
"378613"	473.110958	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+K"	38.963158
"739612"	690.184858	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+K"	38.963158
"1540448"	256.037058	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K"	38.963158
"300182"	237.059117	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H+K"	39.970434
"700264"	345.596067	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H+K"	39.970434
"1455177"	128.522167	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+K"	39.970434
"242685"	476.181626	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+ACN+H"	42.033826
"1213206"	259.107726	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+ACN+H"	42.033826
"1203652"	130.057501	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+ACN+2H"	43.041102
"201263"	479.11896	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2Na-H"	44.97116
"630981"	696.19286	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2Na-H"	44.97116
"1134118"	262.04506	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2Na-H"	44.97116
"177414"	240.063118	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2Na"	45.978436
"618069"	348.600068	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2Na"	45.978436
"1125951"	131.526168	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2Na"	45.978436
"1402183"	88.0198706666667	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+2Na"	46.985712
"1431744"	264.086646	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+HCOOH"	47.012746
"223631"	245.09614	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+3H2O+2H"	56.04448
"1510602"	278.13869	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+IsoProp+H"	61.06479
"411743"	248.050088	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Na+K"	61.952376
"771643"	356.587038	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+Na+K"	61.952376
"1667608"	139.513138	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na+K"	61.952376
"255595"	498.163568	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+ACN+Na"	64.015768
"1227933"	281.089668	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+ACN+Na"	64.015768
"1719015"	281.113193	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+NH4+HCOOH"	64.039293
"1188743"	95.3471846666667	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+3Na"	68.967654
"1659733"	286.068588	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na+HCOOH"	68.994688
"168778"	511.06684	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2K-H"	76.91904
"608341"	728.14074	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2K-H"	76.91904
"1093949"	293.99294	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2K-H"	76.91904
"154776"	256.037058	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2K"	77.926316
"592512"	364.574008	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2K"	77.926316
"1075934"	147.500108	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2K"	77.926316
"1111329"	296.007492	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2K+H"	78.933592
"1344434"	296.095107	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+DMSO+H"	79.021207
"1018067"	300.134276	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2ACN+H"	83.060376
"1537651"	301.127908	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+IsoProp+Na+H"	84.054008
"1003006"	150.570776	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2ACN+2H"	84.067652
"1602250"	302.042528	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K+HCOOH"	84.968628
"1424263"	332.074038	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+CF3COOH"	115.000138
"1152367"	171.084051	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+3ACN+2H"	125.094202
"1698638"	349.100585	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+NH4+CF3COOH"	132.026685
"1637572"	354.05598	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na+CF3COOH"	136.98208
"1583066"	370.02992	"C03914"	"(S)-beta-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K+CF3COOH"	152.95602
"813434"	522.356	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M"	0
"979312"	503.33761	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-H2O-H"	-19.01839
"75211"	347.230057333333	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M-3H"	-3.021828
"515861"	521.348724	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M-3H"	-3.021828
"890384"	173.111390666667	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-3H"	-3.021828
"12243"	521.348724	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M-2H"	-2.014552
"444148"	782.526724	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M-2H"	-2.014552
"826326"	260.170724	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-2H"	-2.014552
"80849"	1043.704724	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M-H"	-1.007276
"530616"	1566.060724	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M-H"	-1.007276
"901491"	521.348724	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-H"	-1.007276
"55863"	1060.731271	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M-2H+NH4"	16.019271
"493236"	1583.087271	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M-2H+NH4"	16.019271
"869214"	538.375271	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-2H+NH4"	16.019271
"37115"	1065.686666	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M-2H+Na"	20.974666
"473758"	1588.042666	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M-2H+Na"	20.974666
"855207"	543.330666	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-2H+Na"	20.974666
"1625835"	543.330666	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Na-2H"	20.974666
"97259"	539.337063	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M-H+Cl"	33.962126
"535730"	800.515063	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M-H+Cl"	33.962126
"928881"	278.159063	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-H+Cl"	33.962126
"274002"	1079.681402	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+Cl"	34.969402
"667516"	1602.037402	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+Cl"	34.969402
"1277731"	557.325402	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Cl"	34.969402
"18101"	1081.660606	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M-2H+K"	36.948606
"458754"	1604.016606	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M-2H+K"	36.948606
"836555"	559.304606	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-2H+K"	36.948606
"1556759"	559.304606	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+K-2H"	36.948606
"946833"	567.354194	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-H+HCOOH"	44.998194
"369423"	1089.710201	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+HCOOH-H"	44.998201
"350025"	1103.725851	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+Hac-H"	59.013851
"1501044"	581.369851	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Hac-H"	59.013851
"963118"	589.336151	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-H+NaCOOH"	66.980151
"118587"	557.325402	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+2Cl"	69.938804
"550098"	818.503402	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+2Cl"	69.938804
"1023302"	296.147402	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2Cl"	69.938804
"1248724"	601.274885	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Br"	78.918885
"1308986"	603.330872	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Cl+HCOOH"	80.974872
"1330854"	625.312829	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Cl+NaCOOH"	102.956829
"916446"	635.341586	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M-H+CF3COOH"	112.985586
"1295341"	671.318264	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Cl+CF3COOH"	148.962264
"1374596"	487.343324	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H-2H2O"	-35.012676
"1387717"	505.3533	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H-H2O"	-17.0027
"284486"	1045.719276	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+H"	1.007276
"678001"	1568.075276	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+H"	1.007276
"1358363"	523.363276	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H"	1.007276
"128333"	523.363276	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+2H"	2.014552
"578108"	784.541276	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+2H"	2.014552
"1046176"	262.185276	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2H"	2.014552
"211889"	349.244609333333	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+3H"	3.021828
"654730"	523.363276	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+3H"	3.021828
"1170670"	175.125942666667	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+3H"	3.021828
"432848"	1062.745823	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+NH4"	18.033823
"792749"	1585.101823	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+NH4"	18.033823
"1686893"	540.389823	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+NH4"	18.033823
"335172"	531.8765495	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+H+NH4"	19.041099
"735248"	793.0545495	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+H+NH4"	19.041099
"1485792"	270.6985495	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H+NH4"	19.041099
"395724"	1067.701218	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+Na"	22.989218
"754532"	1590.057218	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+Na"	22.989218
"1603724"	545.345218	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Na"	22.989218
"315947"	534.354247	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+H+Na"	23.996494
"708366"	795.532247	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+H+Na"	23.996494
"1461940"	273.176247	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H+Na"	23.996494
"1053970"	182.453256666667	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2H+Na"	25.00377
"1258566"	555.389486	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+CH3OH+H"	33.033486
"377156"	1083.675158	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+K"	38.963158
"738592"	1606.031158	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+K"	38.963158
"1539943"	561.319158	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+K"	38.963158
"300292"	542.341217	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+H+K"	39.970434
"700374"	803.519217	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+H+K"	39.970434
"1453101"	281.163217	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H+K"	39.970434
"244982"	1086.745826	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+ACN+H"	42.033826
"1213316"	564.389826	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+ACN+H"	42.033826
"1203762"	282.698551	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+ACN+2H"	43.041102
"200644"	1089.68316	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+2Na-H"	44.97116
"631091"	1612.03916	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+2Na-H"	44.97116
"1133502"	567.32716	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2Na-H"	44.97116
"174972"	545.345218	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+2Na"	45.978436
"614770"	806.523218	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+2Na"	45.978436
"1116819"	284.167218	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2Na"	45.978436
"1400102"	189.780570666667	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H+2Na"	46.985712
"1433313"	569.368746	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H+HCOOH"	47.012746
"222282"	550.37824	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+3H2O+2H"	56.04448
"1510348"	583.42079	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+IsoProp+H"	61.06479
"411123"	553.332188	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+Na+K"	61.952376
"771754"	814.510188	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+Na+K"	61.952376
"1666339"	292.154188	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Na+K"	61.952376
"255705"	1108.727768	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+ACN+Na"	64.015768
"1235707"	586.371768	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+ACN+Na"	64.015768
"1721312"	586.395293	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+NH4+HCOOH"	64.039293
"1187760"	197.107884666667	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+3Na"	68.967654
"1659841"	591.350688	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Na+HCOOH"	68.994688
"164514"	1121.63104	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+2K-H"	76.91904
"607358"	1643.98704	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+2K-H"	76.91904
"1094056"	599.27504	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2K-H"	76.91904
"153793"	561.319158	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"2M+2K"	77.926316
"596271"	822.497158	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"3M+2K"	77.926316
"1078231"	300.141158	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2K"	77.926316
"1113626"	601.289592	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2K+H"	78.933592
"1350012"	601.377207	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+DMSO+H"	79.021207
"1017448"	605.416376	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2ACN+H"	83.060376
"1539860"	606.410008	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+IsoProp+Na+H"	84.054008
"1004575"	303.211826	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+2ACN+2H"	84.067652
"1600900"	607.324628	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+K+HCOOH"	84.968628
"1422186"	637.356138	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+H+CF3COOH"	115.000138
"1156853"	323.725101	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+3ACN+2H"	125.094202
"1705310"	654.382685	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+NH4+CF3COOH"	132.026685
"1637682"	659.33808	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+Na+CF3COOH"	136.98208
"1576614"	675.31202	"C03916"	"1-Oleoylglycerophosphocholine;1-Oleoyl-sn-glycero-3-phosphocholine"	"C26H53NO7P"	"522.356"	"M+K+CF3COOH"	152.95602
"813544"	290.2246	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M"	0
"982702"	271.20621	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"76413"	192.475790666667	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"514878"	289.217324	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"889401"	95.7342573333333	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"12354"	289.217324	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"448632"	434.329624	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"830811"	144.105024	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"84240"	579.441924	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"532793"	869.666524	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"905976"	289.217324	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"60591"	596.468471	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"495533"	886.693071	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"871146"	306.243871	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"37225"	601.423866	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"477147"	891.648466	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"855317"	311.199266	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1625945"	311.199266	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"105753"	307.205663	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"536570"	452.317963	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"934458"	162.093363	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"274112"	615.418602	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"667626"	905.643202	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1281121"	325.194002	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"22584"	617.397806	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"466519"	907.622406	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"844320"	327.173206	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1562340"	327.173206	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"953504"	335.222794	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"369533"	625.447401	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"359978"	639.463051	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1503342"	349.238451	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"973804"	357.204751	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"123072"	325.194002	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"557164"	470.306302	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1027058"	180.081702	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1249928"	369.143485	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1311283"	371.199472	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1332058"	393.181429	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"917649"	403.210186	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1291077"	439.186864	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1377986"	255.211924	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1387827"	273.2219	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"291886"	581.456476	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"681027"	871.681076	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1354099"	291.231876	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"131360"	291.231876	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"578582"	436.344176	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1049206"	146.119576	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"217102"	194.490342666667	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"657030"	291.231876	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1176612"	97.7488093333333	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"435145"	598.483023	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"798326"	888.707623	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1692471"	308.258423	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"340749"	299.7451495	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"737424"	444.8574495	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1482622"	154.6328495	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"396929"	603.438418	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"756831"	893.663018	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1604930"	313.213818	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"318246"	302.222847	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"718318"	447.335147	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1466672"	157.110547	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1057727"	105.076123333333	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1260500"	323.258086	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"377577"	619.412358	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"739706"	909.636958	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1543224"	329.187758	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"305869"	310.209817	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"697204"	455.322117	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1453210"	165.097517	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"243998"	622.483026	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1214520"	332.258426	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1201686"	166.632851	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"197840"	625.42036	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"636304"	915.64496	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1134706"	335.19576	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"178729"	313.213818	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"617196"	458.326118	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1122889"	168.101518	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1402036"	112.403437333333	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1432692"	337.237346	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"229319"	318.24684	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1515197"	351.28939	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"413788"	321.200788	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"772595"	466.313088	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1667829"	176.088488	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"256545"	644.464968	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1235817"	354.240368	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1721422"	354.263893	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1187870"	119.730751333333	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1662867"	359.219288	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"167905"	657.36824	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"606372"	947.59284	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1094166"	367.14364	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"154263"	329.187758	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"592731"	474.300058	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1078335"	184.075458	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1110454"	369.158192	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1347931"	369.245807	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1014277"	373.284976	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1535683"	374.278608	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"997757"	187.146126	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1601982"	375.193228	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1420111"	405.224738	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1151495"	207.659401	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1707607"	422.251285	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1635969"	427.20668	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1574901"	443.18062	"C03917"	"Dihydrotestosterone;17beta-Hydroxyandrostan-3-one;Androstanolone;17beta-Hydroxy-5alpha-androstan-3-one"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"814748"	209.9487	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M"	0
"986092"	190.93031	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H2O-H"	-19.01839
"77618"	138.958524	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-3H"	-3.021828
"517544"	208.941424	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-3H"	-3.021828
"893522"	68.975624	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-3H"	-3.021828
"13558"	208.941424	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H"	-2.014552
"454210"	313.915774	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H"	-2.014552
"831166"	103.967074	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H"	-2.014552
"91642"	418.890124	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-H"	-1.007276
"532540"	628.838824	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-H"	-1.007276
"909733"	208.941424	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H"	-1.007276
"61799"	435.916671	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+NH4"	16.019271
"497830"	645.865371	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+NH4"	16.019271
"870164"	225.967971	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H+NH4"	16.019271
"42076"	440.872066	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+Na"	20.974666
"483096"	650.820766	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+Na"	20.974666
"858710"	230.923366	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H+Na"	20.974666
"1632251"	230.923366	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na-2H"	20.974666
"102584"	226.929763	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-H+Cl"	33.962126
"539961"	331.904113	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-H+Cl"	33.962126
"932380"	121.955413	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+Cl"	33.962126
"270941"	454.866802	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Cl"	34.969402
"671015"	664.815502	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+Cl"	34.969402
"1281232"	244.918102	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl"	34.969402
"27069"	456.846006	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+K"	36.948606
"465537"	666.794706	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+K"	36.948606
"842247"	246.897306	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H+K"	36.948606
"1566828"	246.897306	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K-2H"	36.948606
"956898"	254.946894	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+HCOOH"	44.998194
"375113"	464.895601	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+HCOOH-H"	44.998201
"359725"	478.911251	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Hac-H"	59.013851
"1505276"	268.962551	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Hac-H"	59.013851
"973913"	276.928851	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+NaCOOH"	66.980151
"118809"	244.918102	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2Cl"	69.938804
"562743"	349.892452	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2Cl"	69.938804
"1032636"	139.943752	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2Cl"	69.938804
"1252225"	288.867585	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Br"	78.918885
"1311394"	290.923572	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+HCOOH"	80.974872
"1333628"	312.905529	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+NaCOOH"	102.956829
"917760"	322.934286	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+CF3COOH"	112.985586
"1295562"	358.910964	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+CF3COOH"	148.962264
"1378097"	174.936024	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H-2H2O"	-35.012676
"1394499"	192.946	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H-H2O"	-17.0027
"286531"	420.904676	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H"	1.007276
"680046"	630.853376	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H"	1.007276
"1354206"	210.955976	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H"	1.007276
"127096"	210.955976	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2H"	2.014552
"579420"	315.930326	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2H"	2.014552
"1051018"	105.981626	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2H"	2.014552
"216483"	140.973076	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+3H"	3.021828
"650577"	210.955976	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+3H"	3.021828
"1174170"	70.990176	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+3H"	3.021828
"434162"	437.931223	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+NH4"	18.033823
"796251"	647.879923	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+NH4"	18.033823
"1688210"	227.982523	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+NH4"	18.033823
"337583"	219.4692495	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H+NH4"	19.041099
"734379"	324.4435995	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H+NH4"	19.041099
"1480912"	114.4948995	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+NH4"	19.041099
"395946"	442.886618	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Na"	22.989218
"758034"	652.835318	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+Na"	22.989218
"1610506"	232.937918	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na"	22.989218
"326009"	221.946947	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H+Na"	23.996494
"714056"	326.921297	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H+Na"	23.996494
"1464596"	116.972597	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+Na"	23.996494
"1053584"	78.31749	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2H+Na"	25.00377
"1258186"	242.982186	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+CH3OH+H"	33.033486
"382474"	458.860558	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+K"	38.963158
"746750"	668.809258	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+K"	38.963158
"1547715"	248.911858	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K"	38.963158
"309262"	229.933917	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H+K"	39.970434
"697315"	334.908267	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H+K"	39.970434
"1451133"	124.959567	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+K"	39.970434
"241922"	461.931226	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+ACN+H"	42.033826
"1215725"	251.982526	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+ACN+H"	42.033826
"1201798"	126.494901	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+ACN+2H"	43.041102
"193577"	464.86856	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2Na-H"	44.97116
"636419"	674.81726	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2Na-H"	44.97116
"1141017"	254.91986	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2Na-H"	44.97116
"176287"	232.937918	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2Na"	45.978436
"617307"	337.912268	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2Na"	45.978436
"1118621"	127.963568	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2Na"	45.978436
"1406524"	85.644804	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+2Na"	46.985712
"1435360"	256.961446	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+HCOOH"	47.012746
"229432"	237.97094	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+3H2O+2H"	56.04448
"1516398"	271.01349	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+IsoProp+H"	61.06479
"416086"	240.924888	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Na+K"	61.952376
"774897"	345.899238	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+Na+K"	61.952376
"1669040"	135.950538	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na+K"	61.952376
"261031"	483.913168	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+ACN+Na"	64.015768
"1238846"	273.964468	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+ACN+Na"	64.015768
"1723725"	273.987993	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+NH4+HCOOH"	64.039293
"1190170"	92.972118	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+3Na"	68.967654
"1664803"	278.943388	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na+HCOOH"	68.994688
"171908"	496.81644	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2K-H"	76.91904
"610497"	706.76514	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2K-H"	76.91904
"1097562"	286.86774	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2K-H"	76.91904
"152185"	248.911858	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2K"	77.926316
"593934"	353.886208	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2K"	77.926316
"1078446"	143.937508	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2K"	77.926316
"1111657"	288.882292	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2K+H"	78.933592
"1348042"	288.969907	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+DMSO+H"	79.021207
"1018758"	293.009076	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2ACN+H"	83.060376
"1538827"	294.002708	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+IsoProp+Na+H"	84.054008
"1001144"	147.008176	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2ACN+2H"	84.067652
"1593462"	294.917328	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K+HCOOH"	84.968628
"1425688"	324.948838	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+CF3COOH"	115.000138
"1158163"	167.521451	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+3ACN+2H"	125.094202
"1707717"	341.975385	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+NH4+CF3COOH"	132.026685
"1637902"	346.93078	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na+CF3COOH"	136.98208
"1576834"	362.90472	"C03918"	"24-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K+CF3COOH"	152.95602
"812670"	155.9915	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M"	0
"980735"	136.97311	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-H2O-H"	-19.01839
"78451"	102.987057333333	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M-3H"	-3.021828
"518305"	154.984224	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M-3H"	-3.021828
"895172"	50.9898906666667	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-3H"	-3.021828
"15640"	154.984224	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M-2H"	-2.014552
"455048"	232.979974	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M-2H"	-2.014552
"829936"	76.988474	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-2H"	-2.014552
"91022"	310.975724	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M-H"	-1.007276
"530583"	466.967224	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M-H"	-1.007276
"907290"	154.984224	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-H"	-1.007276
"61179"	328.002271	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M-2H+NH4"	16.019271
"495753"	483.993771	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M-2H+NH4"	16.019271
"873553"	172.010771	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-2H+NH4"	16.019271
"41456"	332.957666	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M-2H+Na"	20.974666
"485028"	488.949166	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M-2H+Na"	20.974666
"856633"	176.966166	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-2H+Na"	20.974666
"1626165"	176.966166	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Na-2H"	20.974666
"102694"	172.972563	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M-H+Cl"	33.962126
"540071"	250.968313	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M-H+Cl"	33.962126
"934678"	94.976813	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-H+Cl"	33.962126
"271051"	346.952402	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+Cl"	34.969402
"671125"	502.943902	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+Cl"	34.969402
"1282435"	190.960902	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Cl"	34.969402
"30095"	348.931606	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M-2H+K"	36.948606
"467834"	504.923106	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M-2H+K"	36.948606
"844543"	192.940106	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-2H+K"	36.948606
"1570218"	192.940106	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+K-2H"	36.948606
"957256"	200.989694	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-H+HCOOH"	44.998194
"375223"	356.981201	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+HCOOH-H"	44.998201
"360567"	370.996851	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+Hac-H"	59.013851
"1508266"	215.005351	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Hac-H"	59.013851
"973788"	222.971651	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-H+NaCOOH"	66.980151
"122200"	190.960902	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+2Cl"	69.938804
"562853"	268.956652	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+2Cl"	69.938804
"1031653"	112.965152	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2Cl"	69.938804
"1256346"	234.910385	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Br"	78.918885
"1317336"	236.966372	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Cl+HCOOH"	80.974872
"1335240"	258.948329	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Cl+NaCOOH"	102.956829
"924066"	268.977086	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M-H+CF3COOH"	112.985586
"1301504"	304.953764	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Cl+CF3COOH"	148.962264
"1380759"	120.978824	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H-2H2O"	-35.012676
"1394609"	138.9888	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H-H2O"	-17.0027
"292108"	312.990276	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+H"	1.007276
"686716"	468.981776	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+H"	1.007276
"1361972"	156.998776	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H"	1.007276
"132672"	156.998776	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+2H"	2.014552
"575518"	234.994526	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+2H"	2.014552
"1050156"	79.003026	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2H"	2.014552
"217322"	105.001609333333	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+3H"	3.021828
"653967"	156.998776	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+3H"	3.021828
"1174280"	53.0044426666667	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+3H"	3.021828
"437918"	330.016823	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+NH4"	18.033823
"797090"	486.008323	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+NH4"	18.033823
"1694881"	174.025323	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+NH4"	18.033823
"340973"	165.5120495	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+H+NH4"	19.041099
"733396"	243.5077995	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+H+NH4"	19.041099
"1482843"	87.5162995	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H+NH4"	19.041099
"397149"	334.972218	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+Na"	22.989218
"759236"	490.963718	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+Na"	22.989218
"1608429"	178.980718	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Na"	22.989218
"326119"	167.989747	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+H+Na"	23.996494
"718540"	245.985497	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+H+Na"	23.996494
"1466893"	89.993997	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H+Na"	23.996494
"1053576"	60.3317566666667	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2H+Na"	25.00377
"1261814"	189.024986	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+CH3OH+H"	33.033486
"377719"	350.946158	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+K"	38.963158
"746860"	506.937658	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+K"	38.963158
"1550011"	194.954658	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+K"	38.963158
"307186"	175.976717	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+H+K"	39.970434
"698516"	253.972467	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+H+K"	39.970434
"1451243"	97.980967	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H+K"	39.970434
"240938"	354.016826	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+ACN+H"	42.033826
"1214011"	198.025326	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+ACN+H"	42.033826
"1206281"	99.516301	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+ACN+2H"	43.041102
"200245"	356.95416	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+2Na-H"	44.97116
"638715"	512.94566	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+2Na-H"	44.97116
"1143312"	200.96266	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2Na-H"	44.97116
"176762"	178.980718	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+2Na"	45.978436
"620696"	256.976468	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+2Na"	45.978436
"1117639"	100.984968	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2Na"	45.978436
"1404447"	67.6590706666667	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H+2Na"	46.985712
"1432188"	203.004246	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H+HCOOH"	47.012746
"229540"	184.01374	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+3H2O+2H"	56.04448
"1516508"	217.05629	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+IsoProp+H"	61.06479
"417288"	186.967688	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+Na+K"	61.952376
"772820"	264.963438	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+Na+K"	61.952376
"1669150"	108.971938	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Na+K"	61.952376
"262234"	375.998768	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+ACN+Na"	64.015768
"1240901"	220.007268	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+ACN+Na"	64.015768
"1726749"	220.030793	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+NH4+HCOOH"	64.039293
"1192466"	74.9863846666667	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+3Na"	68.967654
"1665156"	224.986188	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Na+HCOOH"	68.994688
"171410"	388.90204	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+2K-H"	76.91904
"609877"	544.89354	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+2K-H"	76.91904
"1097671"	232.91054	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2K-H"	76.91904
"152295"	194.954658	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"2M+2K"	77.926316
"595016"	272.950408	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"3M+2K"	77.926316
"1075275"	116.958908	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2K"	77.926316
"1112860"	234.925092	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2K+H"	78.933592
"1350951"	235.012707	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+DMSO+H"	79.021207
"1017774"	239.051876	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2ACN+H"	83.060376
"1534805"	240.045508	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+IsoProp+Na+H"	84.054008
"1001254"	120.029576	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+2ACN+2H"	84.067652
"1595758"	240.960128	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+K+HCOOH"	84.968628
"1421423"	270.991638	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+H+CF3COOH"	115.000138
"1154992"	140.542851	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+3ACN+2H"	125.094202
"1707827"	288.018185	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+NH4+CF3COOH"	132.026685
"1638012"	292.97358	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+Na+CF3COOH"	136.98208
"1576944"	308.94752	"C03920"	"2-(Methylthio)ethanesulfonate;Methylcoenzyme M;Methyl-CoM"	"C3H8O3S2"	"155.9915"	"M+K+CF3COOH"	152.95602
"812780"	192.027	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M"	0
"980845"	173.00861	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"76379"	127.010724	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"515942"	191.019724	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"893013"	63.001724	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"14264"	191.019724	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"454755"	287.033224	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"825673"	95.006224	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"91983"	383.046724	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"531786"	575.073724	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"909345"	191.019724	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"61290"	400.073271	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"501818"	592.100271	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"873664"	208.046271	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"46188"	405.028666	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"485137"	597.055666	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"857836"	213.001666	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1626276"	213.001666	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"104992"	209.008063	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"545648"	305.021563	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"939162"	112.994563	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"274440"	419.023402	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"673058"	611.050402	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1285463"	226.996402	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"29841"	421.002606	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"467944"	613.029606	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"843560"	228.975606	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1571231"	228.975606	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"957610"	237.025194	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"377016"	429.052201	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"361218"	443.067851	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1508353"	251.040851	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"974119"	259.007151	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"123404"	226.996402	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"565150"	323.009902	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1037041"	130.982902	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1256538"	270.945885	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1319270"	273.001872	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1335309"	294.983829	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"924543"	305.012586	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1303318"	340.989264	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1381480"	157.014324	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1397154"	175.0243	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"298051"	385.061276	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"689014"	577.088276	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1365362"	193.034276	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H"	1.007276
"129502"	193.034276	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"574535"	289.047776	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1049895"	97.020776	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"218527"	129.025276	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"655171"	193.034276	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1174391"	65.016276	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"439365"	402.087823	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"798295"	594.114823	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1693899"	210.060823	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"341084"	201.5475495	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"731320"	297.5610495	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1482953"	105.5340495	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"395069"	407.043218	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"758254"	599.070218	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1607445"	215.016218	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"325135"	204.025247	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"718650"	300.038747	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1468096"	108.011747	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1058060"	72.34359	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1259373"	225.060486	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"377826"	423.017158	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"746971"	615.044158	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1550120"	230.990158	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+K"	38.963158
"307296"	212.012217	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"697532"	308.025717	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1453540"	115.998717	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"244328"	426.087826	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1218131"	234.060826	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1204204"	117.534051	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"201449"	429.02516	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"639918"	621.05216	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1143422"	236.99816	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"180152"	215.016218	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"616431"	311.029718	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1121033"	119.002718	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1406745"	79.670904	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1436673"	239.039746	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"229651"	220.04924	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1518806"	253.09179	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"418492"	223.003188	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"772930"	319.016688	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1669625"	126.989688	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"265630"	448.069768	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1238337"	256.042768	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1727223"	256.066293	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1193754"	86.998218	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1662473"	261.021688	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"171400"	460.97304	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"609988"	653.00004	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1094501"	268.94604	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"156295"	230.990158	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"593061"	327.003658	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1075385"	134.976658	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1113821"	270.960592	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1350454"	271.048207	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1019952"	275.087376	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1539294"	276.081008	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"1005253"	138.047326	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1595869"	276.995628	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1423720"	307.027138	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1154008"	158.560601	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1705747"	324.053685	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1638122"	329.00908	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1577054"	344.98302	"C03921"	"2-Dehydro-3-deoxy-D-glucarate"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"807423"	293.8527	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M"	0
"984238"	274.83431	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-H2O-H"	-19.01839
"67013"	194.894524	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M-3H"	-3.021828
"510945"	292.845424	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M-3H"	-3.021828
"893121"	96.943624	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-3H"	-3.021828
"13518"	292.845424	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M-2H"	-2.014552
"451256"	439.771774	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M-2H"	-2.014552
"831247"	145.919074	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-2H"	-2.014552
"89050"	586.698124	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M-H"	-1.007276
"531890"	880.550824	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M-H"	-1.007276
"907505"	292.845424	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-H"	-1.007276
"57505"	603.724671	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M-2H+NH4"	16.019271
"492691"	897.577371	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M-2H+NH4"	16.019271
"870494"	309.871971	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-2H+NH4"	16.019271
"37301"	608.680066	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M-2H+Na"	20.974666
"481237"	902.532766	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M-2H+Na"	20.974666
"854665"	314.827366	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-2H+Na"	20.974666
"1630763"	314.827366	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Na-2H"	20.974666
"104011"	310.833763	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M-H+Cl"	33.962126
"546855"	457.760113	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M-H+Cl"	33.962126
"937089"	163.907413	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-H+Cl"	33.962126
"277831"	622.674802	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+Cl"	34.969402
"671346"	916.527502	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+Cl"	34.969402
"1285935"	328.822102	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Cl"	34.969402
"29222"	624.654006	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M-2H+K"	36.948606
"468420"	918.506706	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M-2H+K"	36.948606
"844763"	330.801306	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-2H+K"	36.948606
"1568250"	330.801306	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+K-2H"	36.948606
"956499"	338.850894	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-H+HCOOH"	44.998194
"375442"	632.703601	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+HCOOH-H"	44.998201
"359690"	646.719251	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+Hac-H"	59.013851
"1505608"	352.866551	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Hac-H"	59.013851
"973514"	360.832851	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-H+NaCOOH"	66.980151
"124608"	328.822102	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+2Cl"	69.938804
"564176"	475.748452	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+2Cl"	69.938804
"1034069"	181.895752	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2Cl"	69.938804
"1256847"	372.771585	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Br"	78.918885
"1317557"	374.827572	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Cl+HCOOH"	80.974872
"1331404"	396.809529	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Cl+NaCOOH"	102.956829
"923923"	406.838286	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M-H+CF3COOH"	112.985586
"1302093"	442.814964	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Cl+CF3COOH"	148.962264
"1378426"	258.840024	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H-2H2O"	-35.012676
"1391548"	276.85	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H-H2O"	-17.0027
"293423"	588.712676	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+H"	1.007276
"682566"	882.565376	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+H"	1.007276
"1362196"	294.859976	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H"	1.007276
"138368"	294.859976	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+2H"	2.014552
"577565"	441.786326	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+2H"	2.014552
"1049278"	147.933626	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2H"	2.014552
"215720"	196.909076	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+3H"	3.021828
"656374"	294.859976	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+3H"	3.021828
"1173407"	98.958176	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+3H"	3.021828
"437774"	605.739223	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+NH4"	18.033823
"798767"	899.591923	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+NH4"	18.033823
"1692911"	311.886523	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+NH4"	18.033823
"337916"	303.3732495	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+H+NH4"	19.041099
"726691"	450.2995995	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+H+NH4"	19.041099
"1480148"	156.4468995	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H+NH4"	19.041099
"402838"	610.694618	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+Na"	22.989218
"761641"	904.547318	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+Na"	22.989218
"1613021"	316.841918	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Na"	22.989218
"326337"	305.850947	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+H+Na"	23.996494
"716573"	452.777297	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+H+Na"	23.996494
"1462982"	158.924597	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H+Na"	23.996494
"1057075"	106.28549	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2H+Na"	25.00377
"1259847"	326.886186	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+CH3OH+H"	33.033486
"377281"	626.668558	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+K"	38.963158
"740885"	920.521258	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+K"	38.963158
"1543666"	332.815858	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+K"	38.963158
"301938"	313.837917	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+H+K"	39.970434
"696911"	460.764267	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+H+K"	39.970434
"1449273"	166.911567	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H+K"	39.970434
"238239"	629.739226	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+ACN+H"	42.033826
"1219335"	335.886526	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+ACN+H"	42.033826
"1203218"	168.446901	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+ACN+2H"	43.041102
"191717"	632.67656	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+2Na-H"	44.97116
"641123"	926.52926	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+2Na-H"	44.97116
"1138068"	338.82386	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2Na-H"	44.97116
"175888"	316.841918	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+2Na"	45.978436
"615443"	463.768268	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+2Na"	45.978436
"1118956"	169.915568	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2Na"	45.978436
"1403575"	113.612804	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H+2Na"	46.985712
"1437881"	340.865446	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H+HCOOH"	47.012746
"230857"	321.87494	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+3H2O+2H"	56.04448
"1522809"	354.91749	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+IsoProp+H"	61.06479
"417513"	324.828888	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+Na+K"	61.952376
"777416"	471.755238	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+Na+K"	61.952376
"1675934"	177.902538	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Na+K"	61.952376
"266109"	651.721168	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+ACN+Na"	64.015768
"1241278"	357.868468	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+ACN+Na"	64.015768
"1728199"	357.891993	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+NH4+HCOOH"	64.039293
"1194063"	120.940118	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+3Na"	68.967654
"1665220"	362.847388	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Na+HCOOH"	68.994688
"172566"	664.62444	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+2K-H"	76.91904
"612721"	958.47714	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+2K-H"	76.91904
"1099228"	370.77174	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2K-H"	76.91904
"149235"	332.815858	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"2M+2K"	77.926316
"593171"	479.742208	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"3M+2K"	77.926316
"1082908"	185.889508	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2K"	77.926316
"1115353"	372.786292	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2K+H"	78.933592
"1350806"	372.873907	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+DMSO+H"	79.021207
"1017996"	376.913076	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2ACN+H"	83.060376
"1538186"	377.906708	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+IsoProp+Na+H"	84.054008
"1000385"	188.960176	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+2ACN+2H"	84.067652
"1594890"	378.821328	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+K+HCOOH"	84.968628
"1420549"	408.852838	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+H+CF3COOH"	115.000138
"1150843"	209.473451	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+3ACN+2H"	125.094202
"1698208"	425.879385	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+NH4+CF3COOH"	132.026685
"1639329"	430.83478	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+Na+CF3COOH"	136.98208
"1583727"	446.80872	"C03925"	"35-Dibromo-4-hydroxybenzoate"	"C7H4Br2O3"	"293.8527"	"M+K+CF3COOH"	152.95602
"804253"	178.0477	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M"	0
"982161"	159.02931	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"66030"	117.691190666667	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"504495"	177.040424	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"889951"	58.3419573333333	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"13628"	177.040424	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"449179"	266.064274	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"828077"	88.016574	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"89160"	355.088124	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"528720"	533.135824	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"904335"	177.040424	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"55428"	372.114671	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"490613"	550.162371	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"868417"	194.066971	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"37411"	377.070066	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"481347"	555.117766	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"853681"	199.022366	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1625405"	199.022366	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"100841"	195.028763	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"543684"	284.052613	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"935012"	106.004913	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"274661"	391.064802	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"667082"	569.112502	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1281672"	213.017102	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"28602"	393.044006	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"468893"	571.091706	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"845601"	214.996306	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1570181"	214.996306	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"954784"	223.045894	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"374458"	401.093601	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"358341"	415.109251	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1506447"	237.061551	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"972895"	245.027851	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"124354"	213.017102	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"563193"	302.040952	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1034179"	123.993252	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1256673"	256.966585	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1318396"	259.022572	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1331514"	281.004529	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"924762"	291.033286	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1301836"	327.009964	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1379630"	143.035024	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1391658"	161.045	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"292439"	357.102676	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"682676"	535.150376	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1361212"	179.054976	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"138478"	179.054976	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"578404"	268.078826	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1049752"	90.031126	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"216923"	119.705742666667	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"659361"	179.054976	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1172423"	60.3565093333333	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"435694"	374.129223	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"798876"	552.176923	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1686460"	196.081523	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"335839"	187.5682495	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"728260"	276.5920995	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1480987"	98.5443995	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"402948"	379.084618	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"755554"	557.132318	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1604384"	201.036918	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"320980"	190.045947	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"707936"	279.069797	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1463940"	101.022097	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1053900"	67.6838233333333	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1259589"	211.081186	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"377438"	395.058558	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"742087"	573.106258	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1541223"	217.010858	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"301682"	198.032917	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"692277"	287.056767	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1449381"	109.009067	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"238348"	398.129226	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1213246"	220.081526	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1196765"	110.544401	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"189271"	401.06656	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"635766"	579.11426	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1138178"	223.01886	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"175270"	201.036918	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"614462"	290.060768	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1117973"	112.013068	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1399554"	75.0111373333333	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1434711"	225.060446	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"222219"	206.06994	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1512467"	239.11249	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"414343"	209.023888	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"774245"	298.047738	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1668753"	120.000038	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"266577"	420.111168	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1240952"	242.063468	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1728346"	242.086993	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1193937"	82.3384513333333	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1665127"	247.042388	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"170646"	433.01444	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"612705"	611.06214	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1096906"	254.96674	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"148251"	217.010858	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"591094"	306.034708	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1082167"	127.987008	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1115343"	256.981292	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1348483"	257.068907	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1019199"	261.108076	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1539025"	262.101708	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"997214"	131.057676	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1590626"	263.016328	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1418472"	293.047838	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1149860"	151.570951	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1698317"	310.074385	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1639439"	315.02978	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1583837"	331.00372	"C03926"	"3-Dehydro-2-deoxy-D-gluconate"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"804363"	111.032	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M"	0
"982271"	92.01361	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-H2O-H"	-19.01839
"62978"	73.0140573333333	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M-3H"	-3.021828
"503267"	110.024724	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M-3H"	-3.021828
"886780"	36.0033906666667	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-3H"	-3.021828
"10822"	110.024724	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M-2H"	-2.014552
"449289"	165.540724	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M-2H"	-2.014552
"828187"	54.508724	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-2H"	-2.014552
"83807"	221.056724	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M-H"	-1.007276
"532481"	332.088724	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M-H"	-1.007276
"898975"	110.024724	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-H"	-1.007276
"52258"	238.083271	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M-2H+NH4"	16.019271
"491816"	349.115271	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M-2H+NH4"	16.019271
"868525"	127.051271	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-2H+NH4"	16.019271
"36792"	243.038666	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M-2H+Na"	20.974666
"480364"	354.070666	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M-2H+Na"	20.974666
"853791"	132.006666	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-2H+Na"	20.974666
"1622235"	132.006666	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Na-2H"	20.974666
"100951"	128.013063	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M-H+Cl"	33.962126
"544887"	183.529063	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M-H+Cl"	33.962126
"934029"	72.497063	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-H+Cl"	33.962126
"274771"	257.033402	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+Cl"	34.969402
"668286"	368.065402	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+Cl"	34.969402
"1281782"	146.001402	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Cl"	34.969402
"27619"	259.012606	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M-2H+K"	36.948606
"468274"	370.044606	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M-2H+K"	36.948606
"845713"	147.980606	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-2H+K"	36.948606
"1569198"	147.980606	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+K-2H"	36.948606
"955262"	156.030194	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-H+HCOOH"	44.998194
"373841"	267.062201	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+HCOOH-H"	44.998201
"358452"	281.077851	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+Hac-H"	59.013851
"1505465"	170.045851	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Hac-H"	59.013851
"972277"	178.012151	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-H+NaCOOH"	66.980151
"124587"	146.001402	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+2Cl"	69.938804
"563303"	201.517402	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+2Cl"	69.938804
"1034289"	90.485402	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2Cl"	69.938804
"1255690"	189.950885	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Br"	78.918885
"1319562"	192.006872	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Cl+HCOOH"	80.974872
"1333084"	213.988829	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Cl+NaCOOH"	102.956829
"925603"	224.017586	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M-H+CF3COOH"	112.985586
"1302675"	259.994264	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Cl+CF3COOH"	148.962264
"1379741"	76.019324	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H-2H2O"	-35.012676
"1394684"	94.0293	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H-H2O"	-17.0027
"293279"	223.071276	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+H"	1.007276
"682786"	334.103276	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+H"	1.007276
"1361322"	112.039276	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H"	1.007276
"139316"	112.039276	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+2H"	2.014552
"579242"	167.555276	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+2H"	2.014552
"1049498"	56.523276	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2H"	2.014552
"216305"	75.0286093333333	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+3H"	3.021828
"659273"	112.039276	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+3H"	3.021828
"1170345"	38.0179426666667	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+3H"	3.021828
"433617"	240.097823	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+NH4"	18.033823
"797893"	351.129823	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+NH4"	18.033823
"1688757"	129.065823	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+NH4"	18.033823
"334856"	120.5525495	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+H+NH4"	19.041099
"728370"	176.0685495	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+H+NH4"	19.041099
"1480368"	65.0365495	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H+NH4"	19.041099
"400873"	245.053218	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+Na"	22.989218
"754482"	356.085218	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+Na"	22.989218
"1603275"	134.021218	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Na"	22.989218
"321090"	123.030247	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+H+Na"	23.996494
"707432"	178.546247	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+H+Na"	23.996494
"1465146"	67.514247	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H+Na"	23.996494
"1057295"	45.3452566666667	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2H+Na"	25.00377
"1258970"	144.065486	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+CH3OH+H"	33.033486
"377787"	261.027158	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+K"	38.963158
"738701"	372.059158	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+K"	38.963158
"1540357"	149.995158	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+K"	38.963158
"299114"	131.017217	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+H+K"	39.970434
"692019"	186.533217	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+H+K"	39.970434
"1448762"	75.501217	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H+K"	39.970434
"238094"	264.097826	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+ACN+H"	42.033826
"1213356"	153.065826	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+ACN+H"	42.033826
"1197239"	77.036551	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+ACN+2H"	43.041102
"189097"	267.03516	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+2Na-H"	44.97116
"635876"	378.06716	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+2Na-H"	44.97116
"1138287"	156.00316	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2Na-H"	44.97116
"175743"	134.021218	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+2Na"	45.978436
"614207"	189.537218	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+2Na"	45.978436
"1116983"	78.505218	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2Na"	45.978436
"1399786"	52.6725706666667	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H+2Na"	46.985712
"1430202"	158.044746	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H+HCOOH"	47.012746
"220868"	139.05424	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+3H2O+2H"	56.04448
"1508591"	172.09679	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+IsoProp+H"	61.06479
"411171"	142.008188	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+Na+K"	61.952376
"773262"	197.524188	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+Na+K"	61.952376
"1666676"	86.492188	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Na+K"	61.952376
"265230"	286.079768	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+ACN+Na"	64.015768
"1241024"	175.047768	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+ACN+Na"	64.015768
"1727877"	175.071293	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+NH4+HCOOH"	64.039293
"1194085"	59.9998846666667	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+3Na"	68.967654
"1663896"	180.026688	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Na+HCOOH"	68.994688
"170756"	298.98304	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+2K-H"	76.91904
"612138"	410.01504	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+2K-H"	76.91904
"1097988"	187.95104	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2K-H"	76.91904
"148361"	149.995158	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"2M+2K"	77.926316
"594363"	205.511158	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"3M+2K"	77.926316
"1082156"	94.479158	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2K"	77.926316
"1114031"	189.965592	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2K+H"	78.933592
"1351249"	190.053207	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+DMSO+H"	79.021207
"1019308"	194.092376	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2ACN+H"	83.060376
"1537435"	195.086008	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+IsoProp+Na+H"	84.054008
"997324"	97.549826	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+2ACN+2H"	84.067652
"1590736"	196.000628	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+K+HCOOH"	84.968628
"1417489"	226.032138	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+H+CF3COOH"	115.000138
"1149241"	118.063101	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+3ACN+2H"	125.094202
"1698427"	243.058685	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+NH4+CF3COOH"	132.026685
"1639549"	248.01408	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+Na+CF3COOH"	136.98208
"1583947"	263.98802	"C03927"	"3-Hydroxy-4H-pyrid-4-one;3-Hydroxypyridin-4(1H)-one;3-Hydroxy-4(1H)-pyridinone"	"C5H5NO2"	"111.032"	"M+K+CF3COOH"	152.95602
"804473"	461.0869	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M"	0
"982381"	442.06851	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-H2O-H"	-19.01839
"63212"	306.383990666667	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M-3H"	-3.021828
"503253"	460.079624	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M-3H"	-3.021828
"886890"	152.688357333333	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-3H"	-3.021828
"10568"	460.079624	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M-2H"	-2.014552
"449400"	690.623074	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M-2H"	-2.014552
"821738"	229.536174	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-2H"	-2.014552
"90478"	921.166524	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M-H"	-1.007276
"531132"	1382.253424	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M-H"	-1.007276
"907837"	460.079624	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-H"	-1.007276
"54554"	938.193071	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M-2H+NH4"	16.019271
"492654"	1399.279971	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M-2H+NH4"	16.019271
"870093"	477.106171	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-2H+NH4"	16.019271
"35807"	943.148466	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M-2H+Na"	20.974666
"481565"	1404.235366	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M-2H+Na"	20.974666
"850253"	482.061566	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-2H+Na"	20.974666
"1622345"	482.061566	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Na-2H"	20.974666
"96687"	478.067963	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M-H+Cl"	33.962126
"540623"	708.611413	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M-H+Cl"	33.962126
"931950"	247.524513	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-H+Cl"	33.962126
"273787"	957.143202	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+Cl"	34.969402
"666209"	1418.230102	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+Cl"	34.969402
"1277517"	496.056302	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Cl"	34.969402
"25541"	959.122406	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M-2H+K"	36.948606
"467290"	1420.209306	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M-2H+K"	36.948606
"846551"	498.035506	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-2H+K"	36.948606
"1565298"	498.035506	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+K-2H"	36.948606
"956826"	506.085094	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-H+HCOOH"	44.998194
"374313"	967.172001	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+HCOOH-H"	44.998201
"357465"	981.187651	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+Hac-H"	59.013851
"1504114"	520.100751	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Hac-H"	59.013851
"968374"	528.067051	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-H+NaCOOH"	66.980151
"123478"	496.056302	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+2Cl"	69.938804
"563418"	726.599752	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+2Cl"	69.938804
"1034767"	265.512852	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2Cl"	69.938804
"1255436"	540.005785	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Br"	78.918885
"1318498"	542.061772	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Cl+HCOOH"	80.974872
"1331735"	564.043729	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Cl+NaCOOH"	102.956829
"923893"	574.072486	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M-H+CF3COOH"	112.985586
"1298046"	610.049164	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Cl+CF3COOH"	148.962264
"1374382"	426.074224	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H-2H2O"	-35.012676
"1391879"	444.0842	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H-H2O"	-17.0027
"289377"	923.181076	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+H"	1.007276
"678884"	1384.267976	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+H"	1.007276
"1354141"	462.094176	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H"	1.007276
"138335"	462.094176	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+2H"	2.014552
"578259"	692.637626	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+2H"	2.014552
"1048150"	231.550726	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2H"	2.014552
"212770"	308.398542666667	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+3H"	3.021828
"651237"	462.094176	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+3H"	3.021828
"1167176"	154.702909333333	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+3H"	3.021828
"432635"	940.207623	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+NH4"	18.033823
"794723"	1401.294523	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+NH4"	18.033823
"1687774"	479.120723	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+NH4"	18.033823
"334966"	470.6074495	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+H+NH4"	19.041099
"728480"	701.1508995	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+H+NH4"	19.041099
"1481571"	240.0639995	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H+NH4"	19.041099
"402076"	945.163018	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+Na"	22.989218
"754922"	1406.249918	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+Na"	22.989218
"1605697"	484.076118	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Na"	22.989218
"317920"	473.085147	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+H+Na"	23.996494
"710341"	703.628597	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+H+Na"	23.996494
"1468535"	242.541697	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H+Na"	23.996494
"1058498"	162.030223333333	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2H+Na"	25.00377
"1258716"	494.120386	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+CH3OH+H"	33.033486
"378017"	961.136958	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+K"	38.963158
"739133"	1422.223858	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+K"	38.963158
"1540589"	500.050058	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+K"	38.963158
"300075"	481.072117	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+H+K"	39.970434
"691643"	711.615567	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+H+K"	39.970434
"1446560"	250.528667	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H+K"	39.970434
"237473"	964.207626	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+ACN+H"	42.033826
"1214559"	503.120726	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+ACN+H"	42.033826
"1197348"	252.064001	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+ACN+2H"	43.041102
"190583"	967.14496	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+2Na-H"	44.97116
"638172"	1428.23186	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+2Na-H"	44.97116
"1138397"	506.05806	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2Na-H"	44.97116
"176217"	484.076118	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+2Na"	45.978436
"613830"	714.619568	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+2Na"	45.978436
"1116971"	253.532668	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2Na"	45.978436
"1399896"	169.357537333333	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H+2Na"	46.985712
"1431285"	508.099646	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H+HCOOH"	47.012746
"221706"	489.10914	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+3H2O+2H"	56.04448
"1509399"	522.15169	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+IsoProp+H"	61.06479
"409454"	492.063088	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+Na+K"	61.952376
"772278"	722.606538	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+Na+K"	61.952376
"1668606"	261.519638	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Na+K"	61.952376
"266433"	986.189568	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+ACN+Na"	64.015768
"1240970"	525.102668	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+ACN+Na"	64.015768
"1726206"	525.126193	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+NH4+HCOOH"	64.039293
"1193387"	176.684851333333	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+3Na"	68.967654
"1664251"	530.081588	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Na+HCOOH"	68.994688
"170868"	999.09284	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+2K-H"	76.91904
"612248"	1460.17974	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+2K-H"	76.91904
"1098949"	538.00594	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2K-H"	76.91904
"148471"	500.050058	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"2M+2K"	77.926316
"594473"	730.593508	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"3M+2K"	77.926316
"1081294"	269.506608	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2K"	77.926316
"1115117"	540.020492	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2K+H"	78.933592
"1351016"	540.108107	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+DMSO+H"	79.021207
"1019419"	544.147276	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2ACN+H"	83.060376
"1538639"	545.140908	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+IsoProp+Na+H"	84.054008
"996341"	272.577276	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+2ACN+2H"	84.067652
"1591940"	546.055528	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+K+HCOOH"	84.968628
"1419785"	576.087038	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+H+CF3COOH"	115.000138
"1148622"	293.090551	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+3ACN+2H"	125.094202
"1698901"	593.113585	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+NH4+CF3COOH"	132.026685
"1639659"	598.06898	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+Na+CF3COOH"	136.98208
"1584057"	614.04292	"C03928"	"3-Phosphoglycerol-glutathione"	"C13H24N3O11PS"	"461.0869"	"M+K+CF3COOH"	152.95602
"811144"	180.115	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M"	0
"984678"	161.09661	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-H2O-H"	-19.01839
"69641"	119.069390666667	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M-3H"	-3.021828
"503853"	179.107724	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M-3H"	-3.021828
"884085"	59.0310573333333	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-3H"	-3.021828
"8856"	179.107724	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M-2H"	-2.014552
"447324"	269.165224	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M-2H"	-2.014552
"821848"	89.050224	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-2H"	-2.014552
"87308"	359.222724	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M-H"	-1.007276
"531973"	539.337724	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M-H"	-1.007276
"903574"	179.107724	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-H"	-1.007276
"61225"	376.249271	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M-2H+NH4"	16.019271
"492036"	556.364271	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M-2H+NH4"	16.019271
"870203"	196.134271	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-2H+NH4"	16.019271
"35917"	381.204666	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M-2H+Na"	20.974666
"475478"	561.319666	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M-2H+Na"	20.974666
"854010"	201.089666	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-2H+Na"	20.974666
"1629016"	201.089666	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Na-2H"	20.974666
"98985"	197.096063	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M-H+Cl"	33.962126
"542920"	287.153563	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M-H+Cl"	33.962126
"937527"	107.038563	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-H+Cl"	33.962126
"273897"	395.199402	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+Cl"	34.969402
"665226"	575.314402	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+Cl"	34.969402
"1277627"	215.084402	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Cl"	34.969402
"22371"	397.178606	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M-2H+K"	36.948606
"467400"	577.293606	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M-2H+K"	36.948606
"846294"	217.063606	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-2H+K"	36.948606
"1565408"	217.063606	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+K-2H"	36.948606
"954749"	225.113194	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-H+HCOOH"	44.998194
"372600"	405.228201	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+HCOOH-H"	44.998201
"353201"	419.243851	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+Hac-H"	59.013851
"1498027"	239.128851	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Hac-H"	59.013851
"968484"	247.095151	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-H+NaCOOH"	66.980151
"122859"	215.084402	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+2Cl"	69.938804
"563894"	305.141902	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+2Cl"	69.938804
"1035237"	125.026902	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2Cl"	69.938804
"1254452"	259.033885	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Br"	78.918885
"1316538"	261.089872	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Cl+HCOOH"	80.974872
"1332209"	283.071829	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Cl+NaCOOH"	102.956829
"921808"	293.100586	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M-H+CF3COOH"	112.985586
"1299613"	329.077264	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Cl+CF3COOH"	148.962264
"1378137"	145.102324	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H-2H2O"	-35.012676
"1394904"	163.1123	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H-H2O"	-17.0027
"288392"	361.237276	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+H"	1.007276
"680816"	541.352276	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+H"	1.007276
"1357168"	181.122276	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H"	1.007276
"136986"	181.122276	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+2H"	2.014552
"574723"	271.179776	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+2H"	2.014552
"1044980"	91.064776	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2H"	2.014552
"210693"	121.083942666667	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+3H"	3.021828
"653898"	181.122276	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+3H"	3.021828
"1169471"	61.0456093333333	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+3H"	3.021828
"430557"	378.263823	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+NH4"	18.033823
"795925"	558.378823	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+NH4"	18.033823
"1690068"	198.148823	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+NH4"	18.033823
"331796"	189.6355495	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+H+NH4"	19.041099
"725310"	279.6930495	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+H+NH4"	19.041099
"1480223"	99.5780495	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H+NH4"	19.041099
"403279"	383.219218	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+Na"	22.989218
"755274"	563.334218	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+Na"	22.989218
"1604468"	203.104218	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Na"	22.989218
"320216"	192.113247	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+H+Na"	23.996494
"709722"	282.170747	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+H+Na"	23.996494
"1465729"	102.055747	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H+Na"	23.996494
"1053867"	68.3729233333333	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2H+Na"	25.00377
"1257731"	213.148486	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+CH3OH+H"	33.033486
"377764"	399.193158	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+K"	38.963158
"738798"	579.308158	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+K"	38.963158
"1542644"	219.078158	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+K"	38.963158
"300915"	200.100217	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+H+K"	39.970434
"693702"	290.157717	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+H+K"	39.970434
"1447157"	110.042717	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H+K"	39.970434
"236491"	402.263826	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+ACN+H"	42.033826
"1211387"	222.148826	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+ACN+H"	42.033826
"1197094"	111.578051	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+ACN+2H"	43.041102
"190329"	405.20116	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+2Na-H"	44.97116
"638282"	585.31616	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+2Na-H"	44.97116
"1135224"	225.08616	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2Na-H"	44.97116
"174140"	203.104218	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+2Na"	45.978436
"613009"	293.161718	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+2Na"	45.978436
"1116838"	113.046718	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2Na"	45.978436
"1400004"	75.7002373333333	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H+2Na"	46.985712
"1431030"	227.127746	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H+HCOOH"	47.012746
"221087"	208.13724	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+3H2O+2H"	56.04448
"1509143"	241.17979	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+IsoProp+H"	61.06479
"408835"	211.091188	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+Na+K"	61.952376
"773481"	301.148688	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+Na+K"	61.952376
"1667624"	121.033688	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Na+K"	61.952376
"263627"	424.245768	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+ACN+Na"	64.015768
"1235242"	244.130768	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+ACN+Na"	64.015768
"1726316"	244.154293	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+NH4+HCOOH"	64.039293
"1194107"	83.0275513333333	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+3Na"	68.967654
"1664968"	249.109688	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Na+HCOOH"	68.994688
"169884"	437.14904	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+2K-H"	76.91904
"612117"	617.26404	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+2K-H"	76.91904
"1096140"	257.03404	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2K-H"	76.91904
"151861"	219.078158	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"2M+2K"	77.926316
"594704"	309.135658	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"3M+2K"	77.926316
"1081406"	129.020658	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2K"	77.926316
"1115228"	259.048592	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2K+H"	78.933592
"1350640"	259.136207	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+DMSO+H"	79.021207
"1020623"	263.175376	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2ACN+H"	83.060376
"1537655"	264.169008	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+IsoProp+Na+H"	84.054008
"998640"	132.091326	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+2ACN+2H"	84.067652
"1592050"	265.083628	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+K+HCOOH"	84.968628
"1418802"	295.115138	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+H+CF3COOH"	115.000138
"1148367"	152.604601	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+3ACN+2H"	125.094202
"1697184"	312.141685	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+NH4+CF3COOH"	132.026685
"1639769"	317.09708	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+Na+CF3COOH"	136.98208
"1584167"	333.07102	"C03929"	"3-tert-Butyl-5-methylcatechol"	"C11H16O2"	"180.115"	"M+K+CF3COOH"	152.95602
"810161"	470.3396	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M"	0
"982602"	451.32121	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-H2O-H"	-19.01839
"68658"	312.552457333333	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M-3H"	-3.021828
"503842"	469.332324	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M-3H"	-3.021828
"883830"	155.772590666667	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-3H"	-3.021828
"6778"	469.332324	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M-2H"	-2.014552
"446340"	704.502124	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M-2H"	-2.014552
"829611"	234.162524	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-2H"	-2.014552
"87418"	939.671924	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M-H"	-1.007276
"530261"	1410.011524	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M-H"	-1.007276
"901497"	469.332324	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-H"	-1.007276
"54774"	956.698471	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M-2H+NH4"	16.019271
"492146"	1427.038071	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M-2H+NH4"	16.019271
"869949"	486.358871	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-2H+NH4"	16.019271
"34934"	961.653866	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M-2H+Na"	20.974666
"475952"	1431.993466	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M-2H+Na"	20.974666
"853391"	491.314266	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-2H+Na"	20.974666
"1625846"	491.314266	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Na-2H"	20.974666
"99095"	487.320663	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M-H+Cl"	33.962126
"540844"	722.490463	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M-H+Cl"	33.962126
"935451"	252.150863	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-H+Cl"	33.962126
"274007"	975.648602	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+Cl"	34.969402
"666429"	1445.988202	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+Cl"	34.969402
"1277737"	505.309002	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Cl"	34.969402
"22481"	977.627806	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M-2H+K"	36.948606
"466417"	1447.967406	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M-2H+K"	36.948606
"846769"	507.288206	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-2H+K"	36.948606
"1565518"	507.288206	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+K-2H"	36.948606
"955587"	515.337794	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-H+HCOOH"	44.998194
"374898"	985.677401	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+HCOOH-H"	44.998201
"354405"	999.693051	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+Hac-H"	59.013851
"1496680"	529.353451	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Hac-H"	59.013851
"968230"	537.319751	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-H+NaCOOH"	66.980151
"124062"	505.309002	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+2Cl"	69.938804
"564733"	740.478802	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+2Cl"	69.938804
"1035711"	270.139202	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2Cl"	69.938804
"1255655"	549.258485	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Br"	78.918885
"1317013"	551.314472	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Cl+HCOOH"	80.974872
"1333047"	573.296429	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Cl+NaCOOH"	102.956829
"921918"	583.325186	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M-H+CF3COOH"	112.985586
"1301909"	619.301864	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Cl+CF3COOH"	148.962264
"1375695"	435.326924	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H-2H2O"	-35.012676
"1392098"	453.3369	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H-H2O"	-17.0027
"287409"	941.686476	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+H"	1.007276
"680924"	1412.026076	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+H"	1.007276
"1357278"	471.346876	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H"	1.007276
"134541"	471.346876	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+2H"	2.014552
"574832"	706.516676	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+2H"	2.014552
"1045090"	236.177076	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2H"	2.014552
"211896"	314.567009333333	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+3H"	3.021828
"653279"	471.346876	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+3H"	3.021828
"1166302"	157.787142666667	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+3H"	3.021828
"429573"	958.713023	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+NH4"	18.033823
"793848"	1429.052623	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+NH4"	18.033823
"1685804"	488.373423	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+NH4"	18.033823
"331906"	479.8601495	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+H+NH4"	19.041099
"723717"	715.0299495	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+H+NH4"	19.041099
"1478874"	244.6903495	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H+NH4"	19.041099
"400109"	963.668418	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+Na"	22.989218
"758909"	1434.008018	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+Na"	22.989218
"1604093"	493.328818	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Na"	22.989218
"315223"	482.337847	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+H+Na"	23.996494
"707139"	717.507647	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+H+Na"	23.996494
"1463287"	247.168047	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H+Na"	23.996494
"1052964"	165.114456666667	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2H+Na"	25.00377
"1257117"	503.373086	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+CH3OH+H"	33.033486
"377178"	979.642358	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+K"	38.963158
"738619"	1449.981958	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+K"	38.963158
"1540931"	509.302758	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+K"	38.963158
"301752"	490.324817	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+H+K"	39.970434
"693081"	725.494617	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+H+K"	39.970434
"1446900"	255.155017	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H+K"	39.970434
"236840"	982.713026	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+ACN+H"	42.033826
"1210315"	512.373426	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+ACN+H"	42.033826
"1197568"	256.690351	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+ACN+2H"	43.041102
"190439"	985.65036	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+2Na-H"	44.97116
"629880"	1455.98996	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+2Na-H"	44.97116
"1131882"	515.31076	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2Na-H"	44.97116
"173877"	493.328818	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+2Na"	45.978436
"613559"	728.498618	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+2Na"	45.978436
"1116825"	258.159018	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2Na"	45.978436
"1398804"	172.441770666667	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H+2Na"	46.985712
"1429889"	517.352346	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H+HCOOH"	47.012746
"220079"	498.36184	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+3H2O+2H"	56.04448
"1509129"	531.40439	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+IsoProp+H"	61.06479
"409182"	501.315788	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+Na+K"	61.952376
"774684"	736.485588	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+Na+K"	61.952376
"1667735"	266.145988	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Na+K"	61.952376
"259725"	1004.694968	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+ACN+Na"	64.015768
"1235716"	534.355368	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+ACN+Na"	64.015768
"1723509"	534.378893	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+NH4+HCOOH"	64.039293
"1193237"	179.769084666667	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+3Na"	68.967654
"1665446"	539.334288	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Na+HCOOH"	68.994688
"169994"	1017.59824	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+2K-H"	76.91904
"610647"	1487.93784	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+2K-H"	76.91904
"1095157"	547.25864	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2K-H"	76.91904
"151971"	509.302758	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"2M+2K"	77.926316
"594693"	744.472558	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"3M+2K"	77.926316
"1081516"	274.132958	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2K"	77.926316
"1115174"	549.273192	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2K+H"	78.933592
"1349653"	549.360807	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+DMSO+H"	79.021207
"1020610"	553.399976	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2ACN+H"	83.060376
"1536672"	554.393608	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+IsoProp+Na+H"	84.054008
"998750"	277.203626	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+2ACN+2H"	84.067652
"1592160"	555.308228	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+K+HCOOH"	84.968628
"1417819"	585.339738	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+H+CF3COOH"	115.000138
"1148477"	297.716901	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+3ACN+2H"	125.094202
"1697117"	602.366285	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+NH4+CF3COOH"	132.026685
"1639879"	607.32168	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+Na+CF3COOH"	136.98208
"1584277"	623.29562	"C03930"	"3alpha-Hydroxyglycyrrhetinate"	"C30H46O4"	"470.3396"	"M+K+CF3COOH"	152.95602
"808087"	288.1725	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M"	0
"978339"	269.15411	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-H2O-H"	-19.01839
"64391"	191.107724	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M-3H"	-3.021828
"505043"	287.165224	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M-3H"	-3.021828
"886126"	95.050224	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-3H"	-3.021828
"9074"	287.165224	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M-2H"	-2.014552
"448634"	431.251474	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M-2H"	-2.014552
"828624"	143.078974	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-2H"	-2.014552
"91898"	575.337724	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M-H"	-1.007276
"529999"	863.510224	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M-H"	-1.007276
"907072"	287.165224	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-H"	-1.007276
"53791"	592.364271	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M-2H+NH4"	16.019271
"494446"	880.536771	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M-2H+NH4"	16.019271
"872247"	304.191771	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-2H+NH4"	16.019271
"40150"	597.319666	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M-2H+Na"	20.974666
"477523"	885.492166	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M-2H+Na"	20.974666
"856423"	309.147166	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-2H+Na"	20.974666
"1623772"	309.147166	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Na-2H"	20.974666
"101394"	305.153563	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M-H+Cl"	33.962126
"539862"	449.239813	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M-H+Cl"	33.962126
"934468"	161.067313	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-H+Cl"	33.962126
"276306"	611.314402	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+Cl"	34.969402
"668728"	899.486902	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+Cl"	34.969402
"1282223"	323.141902	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Cl"	34.969402
"25873"	613.293606	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M-2H+K"	36.948606
"469442"	901.466106	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M-2H+K"	36.948606
"846153"	325.121106	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-2H+K"	36.948606
"1565629"	325.121106	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+K-2H"	36.948606
"949141"	333.170694	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-H+HCOOH"	44.998194
"368447"	621.343201	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+HCOOH-H"	44.998201
"351239"	635.358851	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+Hac-H"	59.013851
"1496790"	347.186351	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Hac-H"	59.013851
"963237"	355.152651	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-H+NaCOOH"	66.980151
"123096"	323.141902	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+2Cl"	69.938804
"564845"	467.228152	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+2Cl"	69.938804
"1030353"	179.055652	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2Cl"	69.938804
"1252121"	367.091385	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Br"	78.918885
"1318584"	369.147372	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Cl+HCOOH"	80.974872
"1334499"	391.129329	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Cl+NaCOOH"	102.956829
"925676"	401.158086	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M-H+CF3COOH"	112.985586
"1294365"	437.134764	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Cl+CF3COOH"	148.962264
"1376535"	253.159824	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H-2H2O"	-35.012676
"1387469"	271.1698	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H-H2O"	-17.0027
"284968"	577.352276	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+H"	1.007276
"681040"	865.524776	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+H"	1.007276
"1357387"	289.179776	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H"	1.007276
"130279"	289.179776	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+2H"	2.014552
"570933"	433.266026	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+2H"	2.014552
"1045200"	145.093526	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2H"	2.014552
"210913"	193.122276	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+3H"	3.021828
"648286"	289.179776	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+3H"	3.021828
"1163860"	97.064776	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+3H"	3.021828
"425312"	594.378823	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+NH4"	18.033823
"788492"	882.551323	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+NH4"	18.033823
"1684097"	306.206323	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+NH4"	18.033823
"330671"	297.6930495	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+H+NH4"	19.041099
"723622"	441.7792995	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+H+NH4"	19.041099
"1478254"	153.6067995	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H+NH4"	19.041099
"397297"	599.334218	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+Na"	22.989218
"755745"	887.506718	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+Na"	22.989218
"1604937"	311.161718	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Na"	22.989218
"316792"	300.170747	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+H+Na"	23.996494
"708848"	444.256997	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+H+Na"	23.996494
"1462545"	156.084497	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H+Na"	23.996494
"1053154"	104.39209	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2H+Na"	25.00377
"1257261"	321.205986	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+CH3OH+H"	33.033486
"377229"	615.308158	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+K"	38.963158
"738652"	903.480658	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+K"	38.963158
"1539967"	327.135658	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+K"	38.963158
"298658"	308.157717	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+H+K"	39.970434
"692096"	452.243967	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+H+K"	39.970434
"1446037"	164.071467	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H+K"	39.970434
"235797"	618.378826	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+ACN+H"	42.033826
"1210143"	330.206326	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+ACN+H"	42.033826
"1194760"	165.606801	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+ACN+2H"	43.041102
"190191"	621.31616	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+2Na-H"	44.97116
"630477"	909.48866	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+2Na-H"	44.97116
"1132766"	333.14366	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2Na-H"	44.97116
"173866"	311.161718	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+2Na"	45.978436
"613794"	455.247968	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+2Na"	45.978436
"1116694"	167.075468	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2Na"	45.978436
"1398714"	111.719404	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H+2Na"	46.985712
"1430265"	335.185246	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H+HCOOH"	47.012746
"220244"	316.19474	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+3H2O+2H"	56.04448
"1508673"	349.23729	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+IsoProp+H"	61.06479
"418175"	319.148688	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+Na+K"	61.952376
"772974"	463.234938	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+Na+K"	61.952376
"1674410"	175.062438	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Na+K"	61.952376
"260929"	640.360768	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+ACN+Na"	64.015768
"1235098"	352.188268	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+ACN+Na"	64.015768
"1723618"	352.211793	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+NH4+HCOOH"	64.039293
"1188972"	119.046718	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+3Na"	68.967654
"1661055"	357.167188	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Na+HCOOH"	68.994688
"167915"	653.26404	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+2K-H"	76.91904
"608568"	941.43654	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+2K-H"	76.91904
"1091985"	365.09154	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2K-H"	76.91904
"152082"	327.135658	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"2M+2K"	77.926316
"586178"	471.221908	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"3M+2K"	77.926316
"1079440"	183.049408	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2K"	77.926316
"1104990"	367.106092	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2K+H"	78.933592
"1343566"	367.193707	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+DMSO+H"	79.021207
"1017563"	371.232876	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2ACN+H"	83.060376
"1530222"	372.226508	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+IsoProp+Na+H"	84.054008
"997769"	186.120076	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+2ACN+2H"	84.067652
"1590082"	373.141128	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+K+HCOOH"	84.968628
"1417936"	403.172638	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+H+CF3COOH"	115.000138
"1151505"	206.633351	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+3ACN+2H"	125.094202
"1709809"	420.199185	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+NH4+CF3COOH"	132.026685
"1639990"	425.15458	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+Na+CF3COOH"	136.98208
"1584389"	441.12852	"C03935"	"6beta-Hydroxy-17beta-estradiol;6beta-Hydroxyestradiol-17beta"	"C18H24O3"	"288.1725"	"M+K+CF3COOH"	152.95602
"808197"	132.0899	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M"	0
"975169"	113.07151	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H2O-H"	-19.01839
"64865"	87.0526573333333	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-3H"	-3.021828
"507341"	131.082624	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-3H"	-3.021828
"894622"	43.0226906666667	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-3H"	-3.021828
"3717"	131.082624	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H"	-2.014552
"445467"	197.127574	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H"	-2.014552
"817350"	65.037674	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H"	-2.014552
"82167"	263.172524	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-H"	-1.007276
"525007"	395.262424	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-H"	-1.007276
"902809"	131.082624	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H"	-1.007276
"56091"	280.199071	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+NH4"	16.019271
"490185"	412.288971	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+NH4"	16.019271
"865197"	148.109171	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+NH4"	16.019271
"31793"	285.154466	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+Na"	20.974666
"478734"	417.244366	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+Na"	20.974666
"849975"	153.064566	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+Na"	20.974666
"1623880"	153.064566	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na-2H"	20.974666
"99315"	149.070963	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-H+Cl"	33.962126
"541063"	215.115913	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-H+Cl"	33.962126
"933484"	83.026013	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+Cl"	33.962126
"278603"	299.149202	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Cl"	34.969402
"666648"	431.239102	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Cl"	34.969402
"1282335"	167.059302	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl"	34.969402
"27080"	301.128406	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M-2H+K"	36.948606
"464453"	433.218306	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M-2H+K"	36.948606
"840067"	169.038506	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-2H+K"	36.948606
"1563556"	169.038506	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K-2H"	36.948606
"955083"	177.088094	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+HCOOH"	44.998194
"368558"	309.178001	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+HCOOH-H"	44.998201
"350259"	323.193651	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Hac-H"	59.013851
"1500187"	191.103751	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Hac-H"	59.013851
"971014"	199.070051	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+NaCOOH"	66.980151
"114450"	167.059302	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Cl"	69.938804
"558385"	233.104252	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Cl"	69.938804
"1031559"	101.014352	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Cl"	69.938804
"1253323"	211.008785	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Br"	78.918885
"1313584"	213.064772	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+HCOOH"	80.974872
"1333635"	235.046729	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+NaCOOH"	102.956829
"921050"	245.075486	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M-H+CF3COOH"	112.985586
"1294476"	281.052164	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Cl+CF3COOH"	148.962264
"1369357"	97.077224	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H-2H2O"	-35.012676
"1384667"	115.0872	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H-H2O"	-17.0027
"285447"	265.187076	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H"	1.007276
"678961"	397.276976	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H"	1.007276
"1353486"	133.097176	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H"	1.007276
"129293"	133.097176	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2H"	2.014552
"575781"	199.142126	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2H"	2.014552
"1040932"	67.052226	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2H"	2.014552
"207740"	89.0672093333333	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+3H"	3.021828
"645602"	133.097176	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+3H"	3.021828
"1165431"	45.0372426666667	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3H"	3.021828
"427971"	282.213623	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+NH4"	18.033823
"787873"	414.303523	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+NH4"	18.033823
"1684568"	150.123723	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4"	18.033823
"332483"	141.6104495	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+NH4"	19.041099
"725633"	207.6553995	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+NH4"	19.041099
"1479088"	75.5654995	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+NH4"	19.041099
"394849"	287.169018	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Na"	22.989218
"756939"	419.258918	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Na"	22.989218
"1608326"	155.079118	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na"	22.989218
"314630"	144.088147	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+Na"	23.996494
"707453"	210.133097	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+Na"	23.996494
"1462049"	78.043197	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+Na"	23.996494
"1053342"	52.3645566666667	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2H+Na"	25.00377
"1258803"	165.123386	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+CH3OH+H"	33.033486
"378112"	303.142958	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+K"	38.963158
"740569"	435.232858	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+K"	38.963158
"1540087"	171.053058	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K"	38.963158
"299549"	152.075117	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+H+K"	39.970434
"691418"	218.120067	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+H+K"	39.970434
"1445713"	86.030167	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+K"	39.970434
"245217"	306.213626	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+ACN+H"	42.033826
"1221573"	174.123726	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+H"	42.033826
"1201808"	87.565501	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+2H"	43.041102
"192490"	309.15096	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Na-H"	44.97116
"632051"	441.24086	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Na-H"	44.97116
"1132635"	177.06106	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Na-H"	44.97116
"172955"	155.079118	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2Na"	45.978436
"613344"	221.124068	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2Na"	45.978436
"1115668"	89.034168	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2Na"	45.978436
"1398591"	59.6918706666667	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+2Na"	46.985712
"1432823"	179.102646	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+HCOOH"	47.012746
"223247"	160.11214	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+3H2O+2H"	56.04448
"1508874"	193.15469	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+IsoProp+H"	61.06479
"411724"	163.066088	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+Na+K"	61.952376
"780374"	229.111038	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+Na+K"	61.952376
"1672331"	97.021138	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+K"	61.952376
"256663"	328.195568	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+ACN+Na"	64.015768
"1235933"	196.105668	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+ACN+Na"	64.015768
"1722633"	196.129193	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4+HCOOH"	64.039293
"1185799"	67.0191846666667	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3Na"	68.967654
"1653513"	201.084588	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+HCOOH"	68.994688
"163655"	341.09884	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2K-H"	76.91904
"605400"	473.18874	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2K-H"	76.91904
"1093192"	209.00894	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K-H"	76.91904
"145637"	171.053058	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"2M+2K"	77.926316
"591758"	237.098008	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"3M+2K"	77.926316
"1078457"	105.008108	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K"	77.926316
"1102926"	211.023492	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2K+H"	78.933592
"1337126"	211.111107	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+DMSO+H"	79.021207
"1006866"	215.150276	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2ACN+H"	83.060376
"1530343"	216.143908	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+IsoProp+Na+H"	84.054008
"997885"	108.078776	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+2ACN+2H"	84.067652
"1592387"	217.058528	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K+HCOOH"	84.968628
"1420238"	247.090038	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+H+CF3COOH"	115.000138
"1158180"	128.592051	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+3ACN+2H"	125.094202
"1708823"	264.116585	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+NH4+CF3COOH"	132.026685
"1643381"	269.07198	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+Na+CF3COOH"	136.98208
"1584502"	285.04592	"C03943"	"(2R4S)-24-Diaminopentanoate;D-threo-24-Diaminopentanoate;24-Diaminopentanoate"	"C5H12N2O2"	"132.0899"	"M+K+CF3COOH"	152.95602
"805027"	340.0947	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M"	0
"975642"	321.07631	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-H2O-H"	-19.01839
"64608"	225.722524	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M-3H"	-3.021828
"504532"	339.087424	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M-3H"	-3.021828
"881972"	112.357624	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-3H"	-3.021828
"4921"	339.087424	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M-2H"	-2.014552
"444484"	509.134774	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M-2H"	-2.014552
"818155"	169.040074	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-2H"	-2.014552
"82278"	679.182124	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M-H"	-1.007276
"525117"	1019.276824	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M-H"	-1.007276
"901826"	339.087424	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-H"	-1.007276
"50734"	696.208671	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M-2H+NH4"	16.019271
"488835"	1036.303371	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M-2H+NH4"	16.019271
"868103"	356.113971	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-2H+NH4"	16.019271
"31866"	701.164066	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M-2H+Na"	20.974666
"478844"	1041.258766	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M-2H+Na"	20.974666
"850085"	361.069366	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-2H+Na"	20.974666
"1622896"	361.069366	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Na-2H"	20.974666
"102705"	357.075763	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M-H+Cl"	33.962126
"542266"	527.123113	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M-H+Cl"	33.962126
"934687"	187.028413	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-H+Cl"	33.962126
"276526"	715.158802	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+Cl"	34.969402
"666758"	1055.253502	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+Cl"	34.969402
"1283538"	375.064102	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Cl"	34.969402
"25003"	717.138006	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M-2H+K"	36.948606
"468936"	1057.232706	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M-2H+K"	36.948606
"841270"	377.043306	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-2H+K"	36.948606
"1564759"	377.043306	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+K-2H"	36.948606
"958114"	385.092894	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-H+HCOOH"	44.998194
"369761"	725.187601	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+HCOOH-H"	44.998201
"351463"	739.203251	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+Hac-H"	59.013851
"1502482"	399.108551	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Hac-H"	59.013851
"971118"	407.074851	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-H+NaCOOH"	66.980151
"118931"	375.064102	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+2Cl"	69.938804
"557401"	545.111452	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+2Cl"	69.938804
"1033856"	205.016752	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2Cl"	69.938804
"1252339"	419.013585	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Br"	78.918885
"1311870"	421.069572	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Cl+HCOOH"	80.974872
"1330096"	443.051529	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Cl+NaCOOH"	102.956829
"921160"	453.080286	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M-H+CF3COOH"	112.985586
"1292399"	489.056964	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Cl+CF3COOH"	148.962264
"1371653"	305.082024	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H-2H2O"	-35.012676
"1384777"	323.092	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H-H2O"	-17.0027
"288837"	681.196676	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+H"	1.007276
"679435"	1021.291376	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+H"	1.007276
"1355419"	341.101976	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H"	1.007276
"129403"	341.101976	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+2H"	2.014552
"573338"	511.149326	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+2H"	2.014552
"1038126"	171.054626	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2H"	2.014552
"208942"	227.737076	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+3H"	3.021828
"647415"	341.101976	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+3H"	3.021828
"1165541"	114.372176	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+3H"	3.021828
"426622"	698.223223	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+NH4"	18.033823
"788711"	1038.317923	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+NH4"	18.033823
"1683949"	358.128523	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+NH4"	18.033823
"331500"	349.6152495	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+H+NH4"	19.041099
"726836"	519.6625995	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+H+NH4"	19.041099
"1482845"	179.5678995	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H+NH4"	19.041099
"398241"	703.178618	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+Na"	22.989218
"758144"	1043.273318	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+Na"	22.989218
"1607343"	363.083918	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Na"	22.989218
"314823"	352.092947	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+H+Na"	23.996494
"707728"	522.140297	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+H+Na"	23.996494
"1461347"	182.045597	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H+Na"	23.996494
"1053213"	121.69949	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2H+Na"	25.00377
"1260370"	373.128186	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+CH3OH+H"	33.033486
"378342"	719.152558	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+K"	38.963158
"742863"	1059.247258	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+K"	38.963158
"1541267"	379.057858	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+K"	38.963158
"299173"	360.079917	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+H+K"	39.970434
"692321"	530.127267	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+H+K"	39.970434
"1446745"	190.032567	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H+K"	39.970434
"246422"	722.223226	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+ACN+H"	42.033826
"1220224"	382.128526	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+ACN+H"	42.033826
"1199731"	191.567901	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+ACN+2H"	43.041102
"192600"	725.16056	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+2Na-H"	44.97116
"632161"	1065.25526	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+2Na-H"	44.97116
"1133478"	385.06586	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2Na-H"	44.97116
"174586"	363.083918	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+2Na"	45.978436
"615239"	533.131268	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+2Na"	45.978436
"1115638"	193.036568	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2Na"	45.978436
"1398523"	129.026804	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H+2Na"	46.985712
"1434756"	387.107446	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H+HCOOH"	47.012746
"221900"	368.11694	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+3H2O+2H"	56.04448
"1509230"	401.15949	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+IsoProp+H"	61.06479
"411834"	371.070888	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+Na+K"	61.952376
"779391"	541.118238	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+Na+K"	61.952376
"1670254"	201.023538	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Na+K"	61.952376
"257866"	744.205168	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+ACN+Na"	64.015768
"1236043"	404.110468	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+ACN+Na"	64.015768
"1724929"	404.133993	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+NH4+HCOOH"	64.039293
"1189189"	136.354118	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+3Na"	68.967654
"1654716"	409.089388	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Na+HCOOH"	68.994688
"164858"	757.10844	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+2K-H"	76.91904
"605510"	1097.20314	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+2K-H"	76.91904
"1094395"	417.01374	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2K-H"	76.91904
"147934"	379.057858	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"2M+2K"	77.926316
"591868"	549.105208	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"3M+2K"	77.926316
"1077473"	209.010508	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2K"	77.926316
"1101940"	419.028292	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2K+H"	78.933592
"1337233"	419.115907	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+DMSO+H"	79.021207
"1006854"	423.155076	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2ACN+H"	83.060376
"1529358"	424.148708	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+IsoProp+Na+H"	84.054008
"995808"	212.081176	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+2ACN+2H"	84.067652
"1591404"	425.063328	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+K+HCOOH"	84.968628
"1420348"	455.094838	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+H+CF3COOH"	115.000138
"1153917"	232.594451	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+3ACN+2H"	125.094202
"1708933"	472.121385	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+NH4+CF3COOH"	132.026685
"1643491"	477.07678	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+Na+CF3COOH"	136.98208
"1584612"	493.05072	"C03944"	"Dihydro-O-methylsterigmatocystin;DHOMST;Dihydromethylsterigmatocystin;8-O-Methyldihydrosterigmatocystin"	"C19H16O6"	"340.0947"	"M+K+CF3COOH"	152.95602
"805137"	400.1158	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M"	0
"976481"	381.09741	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"63263"	265.736590666667	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"505372"	399.108524	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"883175"	132.364657333333	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"3937"	399.108524	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"443500"	599.166424	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"822395"	199.050624	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"82388"	799.224324	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"523040"	1199.340124	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"899748"	399.108524	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"51937"	816.250871	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"490404"	1216.366671	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"867120"	416.135071	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"32216"	821.206266	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"478954"	1221.322066	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"851288"	421.090466	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1624099"	421.090466	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"102815"	417.096863	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"543469"	617.154763	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"935893"	217.038963	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"281620"	835.201002	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"667963"	1235.316802	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1282555"	435.085202	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"27299"	837.180206	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"469046"	1237.296006	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"841380"	437.064406	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1564869"	437.064406	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"958345"	445.113994	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"368778"	845.229801	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"358135"	859.245451	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1501499"	459.129651	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"966853"	467.095951	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"116853"	435.085202	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"555323"	635.143102	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1030686"	235.027302	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1249169"	479.034685	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1313802"	481.090672	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1329113"	503.072629	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"917985"	513.101386	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1292873"	549.078064	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1371032"	365.103124	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1388162"	383.1131	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"285300"	801.238876	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"678087"	1201.354676	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1352977"	401.123076	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"127689"	401.123076	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"575271"	601.180976	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1039329"	201.065176	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"205772"	267.751142666667	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"647526"	401.123076	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1164921"	134.379209333333	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"427825"	818.265423	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"788093"	1218.381223	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1684425"	418.149623	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"332703"	409.6363495	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"725124"	609.6942495	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1480766"	209.5784495	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"399445"	823.220818	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"759346"	1223.336618	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1602908"	423.105018	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"314687"	412.114047	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"707472"	612.171947	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1462148"	212.056147	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1053156"	141.706523333333	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1260844"	433.149286	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"379789"	839.194758	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"740055"	1239.310558	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1542834"	439.078958	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"300011"	420.101017	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"692793"	620.158917	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1448072"	220.043117	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"246897"	842.265426	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1221427"	442.149626	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1203122"	221.578451	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"193803"	845.20276	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"632270"	1245.31856	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1133582"	445.08696	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"174817"	423.105018	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"613646"	623.162918	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1116912"	223.047118	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1398971"	149.033837333333	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1437782"	447.128546	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"220429"	428.13804	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1511164"	461.18059	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"411943"	431.091988	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"770753"	631.149888	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1670364"	231.034088	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"257976"	864.247368	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1236153"	464.131568	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1723946"	464.155093	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1188206"	156.361151333333	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1658105"	469.110488	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"163874"	877.15064	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"605620"	1277.26644	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1095598"	477.03484	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"146950"	439.078958	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"587602"	639.136858	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1076489"	239.021058	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1101199"	479.049392	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1336046"	479.137007	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1006720"	483.176176	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1525459"	484.169808	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"994825"	242.091726	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1590421"	485.084428	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1423739"	515.115938	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1154027"	262.605001	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1709043"	532.142485	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1645788"	537.09788	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1584722"	553.07182	"C03946"	"Flavonol 3-O-beta-D-glucoside;Flavonol 3-O-D-glucoside"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"805247"	154.0031	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M"	0
"975498"	134.98471	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-H2O-H"	-19.01839
"65195"	101.661457333333	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M-3H"	-3.021828
"504753"	152.995824	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M-3H"	-3.021828
"884379"	50.3270906666667	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-3H"	-3.021828
"4047"	152.995824	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M-2H"	-2.014552
"447984"	229.997374	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M-2H"	-2.014552
"820318"	75.994274	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-2H"	-2.014552
"85778"	306.998924	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M-H"	-1.007276
"525337"	461.002024	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M-H"	-1.007276
"899858"	152.995824	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-H"	-1.007276
"58608"	324.025471	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M-2H+NH4"	16.019271
"491608"	478.028571	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M-2H+NH4"	16.019271
"866378"	170.022371	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-2H+NH4"	16.019271
"32333"	328.980866	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M-2H+Na"	20.974666
"479064"	482.983966	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M-2H+Na"	20.974666
"854677"	174.977766	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-2H+Na"	20.974666
"1619469"	174.977766	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Na-2H"	20.974666
"97822"	170.984163	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M-H+Cl"	33.962126
"541392"	247.985713	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M-H+Cl"	33.962126
"937095"	93.982613	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-H+Cl"	33.962126
"281729"	342.975602	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+Cl"	34.969402
"670259"	496.978702	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+Cl"	34.969402
"1283758"	188.972502	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Cl"	34.969402
"27409"	344.954806	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M-2H+K"	36.948606
"468062"	498.957906	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M-2H+K"	36.948606
"838210"	190.951706	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-2H+K"	36.948606
"1564980"	190.951706	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+K-2H"	36.948606
"955413"	199.001294	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-H+HCOOH"	44.998194
"370711"	353.004401	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+HCOOH-H"	44.998201
"359703"	367.020051	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+Hac-H"	59.013851
"1501609"	213.016951	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Hac-H"	59.013851
"969150"	220.983251	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-H+NaCOOH"	66.980151
"118057"	188.972502	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+2Cl"	69.938804
"557619"	265.974052	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+2Cl"	69.938804
"1030796"	111.970952	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2Cl"	69.938804
"1251465"	232.921985	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Br"	78.918885
"1312819"	234.977972	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Cl+HCOOH"	80.974872
"1327036"	256.959929	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Cl+NaCOOH"	102.956829
"916274"	266.988686	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M-H+CF3COOH"	112.985586
"1294805"	302.965364	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Cl+CF3COOH"	148.962264
"1371871"	118.990424	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H-2H2O"	-35.012676
"1388273"	137.0004	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H-H2O"	-17.0027
"286138"	309.013476	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+H"	1.007276
"679287"	463.016576	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+H"	1.007276
"1353451"	155.010376	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H"	1.007276
"128526"	155.010376	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+2H"	2.014552
"571371"	232.011926	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+2H"	2.014552
"1042354"	78.008826	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2H"	2.014552
"206124"	103.676009333333	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+3H"	3.021828
"646543"	155.010376	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+3H"	3.021828
"1164664"	52.3416426666667	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+3H"	3.021828
"426841"	326.040023	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+NH4"	18.033823
"786744"	480.043123	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+NH4"	18.033823
"1683806"	172.036923	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+NH4"	18.033823
"330989"	163.5236495	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+H+NH4"	19.041099
"724017"	240.5251995	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+H+NH4"	19.041099
"1479053"	86.5220995	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H+NH4"	19.041099
"398462"	330.995418	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+Na"	22.989218
"757271"	484.998518	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+Na"	22.989218
"1603142"	176.992318	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Na"	22.989218
"314426"	166.001347	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+H+Na"	23.996494
"707253"	243.002897	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+H+Na"	23.996494
"1462012"	88.999797	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H+Na"	23.996494
"1053439"	59.6689566666667	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2H+Na"	25.00377
"1259498"	187.036586	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+CH3OH+H"	33.033486
"382814"	346.969358	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+K"	38.963158
"743081"	500.972458	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+K"	38.963158
"1542580"	192.966258	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+K"	38.963158
"300485"	173.988317	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+H+K"	39.970434
"692052"	250.989867	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+H+K"	39.970434
"1446845"	96.986767	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H+K"	39.970434
"247733"	350.040026	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+ACN+H"	42.033826
"1220444"	196.036926	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+ACN+H"	42.033826
"1201044"	98.522101	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+ACN+2H"	43.041102
"193913"	352.97736	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+2Na-H"	44.97116
"633473"	506.98046	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+2Na-H"	44.97116
"1133206"	198.97426	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2Na-H"	44.97116
"173339"	176.992318	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+2Na"	45.978436
"615458"	253.993868	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+2Na"	45.978436
"1117138"	99.990768	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2Na"	45.978436
"1398881"	66.9962706666667	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H+2Na"	46.985712
"1435705"	201.015846	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H+HCOOH"	47.012746
"221267"	182.02534	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+3H2O+2H"	56.04448
"1510180"	215.06789	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+IsoProp+H"	61.06479
"410351"	184.979288	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+Na+K"	61.952376
"772320"	261.980838	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+Na+K"	61.952376
"1668284"	107.977738	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Na+K"	61.952376
"258086"	372.021968	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+ACN+Na"	64.015768
"1234076"	218.018868	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+ACN+Na"	64.015768
"1721869"	218.042393	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+NH4+HCOOH"	64.039293
"1189409"	74.3235846666667	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+3Na"	68.967654
"1658215"	222.997788	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Na+HCOOH"	68.994688
"166170"	384.92524	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+2K-H"	76.91904
"605730"	538.92834	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+2K-H"	76.91904
"1095708"	230.92214	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2K-H"	76.91904
"151434"	192.966258	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"2M+2K"	77.926316
"592086"	269.967808	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"3M+2K"	77.926316
"1082066"	115.964708	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2K"	77.926316
"1105439"	232.936692	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2K+H"	78.933592
"1336109"	233.024307	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+DMSO+H"	79.021207
"1009259"	237.063476	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2ACN+H"	83.060376
"1526298"	238.057108	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+IsoProp+Na+H"	84.054008
"996028"	119.035376	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+2ACN+2H"	84.067652
"1590531"	238.971728	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+K+HCOOH"	84.968628
"1423849"	269.003238	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+H+CF3COOH"	115.000138
"1157417"	139.548651	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+3ACN+2H"	125.094202
"1709153"	286.029785	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+NH4+CF3COOH"	132.026685
"1645898"	290.98518	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+Na+CF3COOH"	136.98208
"1584832"	306.95912	"C03947"	"Glycerol 12-cyclic phosphate;132-Dioxaphospholane-4-methanol"	"C3H7O5P"	"154.0031"	"M+K+CF3COOH"	152.95602
"805357"	235.0692	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M"	0
"975972"	216.05081	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-H2O-H"	-19.01839
"67129"	155.705524	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M-3H"	-3.021828
"509969"	234.061924	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M-3H"	-3.021828
"893237"	77.349124	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-3H"	-3.021828
"8532"	234.061924	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M-2H"	-2.014552
"446999"	351.596524	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M-2H"	-2.014552
"822615"	116.527324	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-2H"	-2.014552
"91356"	469.131124	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M-H"	-1.007276
"524718"	704.200324	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M-H"	-1.007276
"901061"	234.061924	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-H"	-1.007276
"60784"	486.157671	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M-2H+NH4"	16.019271
"498280"	721.226871	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M-2H+NH4"	16.019271
"867340"	251.088471	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-2H+NH4"	16.019271
"38523"	491.113066	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M-2H+Na"	20.974666
"479176"	726.182266	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M-2H+Na"	20.974666
"854789"	256.043866	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-2H+Na"	20.974666
"1622134"	256.043866	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Na-2H"	20.974666
"103035"	252.050263	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M-H+Cl"	33.962126
"542597"	369.584863	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M-H+Cl"	33.962126
"935016"	134.515663	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-H+Cl"	33.962126
"277947"	505.107802	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+Cl"	34.969402
"672558"	740.177002	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+Cl"	34.969402
"1284964"	270.038602	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Cl"	34.969402
"28614"	507.087006	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M-2H+K"	36.948606
"467080"	742.156206	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M-2H+K"	36.948606
"845978"	272.017806	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-2H+K"	36.948606
"1569830"	272.017806	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+K-2H"	36.948606
"953702"	280.067394	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-H+HCOOH"	44.998194
"370094"	515.136601	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+HCOOH-H"	44.998201
"353980"	529.152251	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+Hac-H"	59.013851
"1505001"	294.083051	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Hac-H"	59.013851
"971450"	302.049351	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-H+NaCOOH"	66.980151
"123273"	270.038602	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+2Cl"	69.938804
"558822"	387.573202	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+2Cl"	69.938804
"1030906"	152.504002	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2Cl"	69.938804
"1251576"	313.988085	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Br"	78.918885
"1311837"	316.044072	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Cl+HCOOH"	80.974872
"1328240"	338.026029	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Cl+NaCOOH"	102.956829
"916020"	348.054786	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M-H+CF3COOH"	112.985586
"1292729"	384.031464	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Cl+CF3COOH"	148.962264
"1372713"	200.056524	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H-2H2O"	-35.012676
"1388388"	218.0665	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H-H2O"	-17.0027
"285521"	471.145676	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+H"	1.007276
"679767"	706.214876	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+H"	1.007276
"1352833"	236.076476	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H"	1.007276
"127545"	236.076476	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+2H"	2.014552
"572575"	353.611076	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+2H"	2.014552
"1038457"	118.541876	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2H"	2.014552
"207086"	157.720076	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+3H"	3.021828
"648840"	236.076476	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+3H"	3.021828
"1162816"	79.363676	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+3H"	3.021828
"424275"	488.172223	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+NH4"	18.033823
"791234"	723.241423	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+NH4"	18.033823
"1686473"	253.103023	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+NH4"	18.033823
"330736"	244.5897495	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+H+NH4"	19.041099
"723521"	362.1243495	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+H+NH4"	19.041099
"1478071"	127.0551495	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H+NH4"	19.041099
"396386"	493.127618	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+Na"	22.989218
"756288"	728.196818	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+Na"	22.989218
"1603172"	258.058418	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Na"	22.989218
"314457"	247.067447	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+H+Na"	23.996494
"707198"	364.602047	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+H+Na"	23.996494
"1463221"	129.532847	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H+Na"	23.996494
"1055372"	86.69099	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2H+Na"	25.00377
"1259244"	268.102686	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+CH3OH+H"	33.033486
"379279"	509.101558	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+K"	38.963158
"742462"	744.170758	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+K"	38.963158
"1543788"	274.032358	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+K"	38.963158
"300964"	255.054417	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+H+K"	39.970434
"692653"	372.589017	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+H+K"	39.970434
"1445689"	137.519817	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H+K"	39.970434
"245656"	512.172226	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+ACN+H"	42.033826
"1215084"	277.103026	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+ACN+H"	42.033826
"1195807"	139.055151	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+ACN+2H"	43.041102
"191836"	515.10956	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+2Na-H"	44.97116
"629573"	750.17876	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+2Na-H"	44.97116
"1131978"	280.04036	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2Na-H"	44.97116
"173454"	258.058418	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+2Na"	45.978436
"614595"	375.593018	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+2Na"	45.978436
"1119439"	140.523818	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2Na"	45.978436
"1399318"	94.018304	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H+2Na"	46.985712
"1438002"	282.081946	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H+HCOOH"	47.012746
"224417"	263.09144	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+3H2O+2H"	56.04448
"1510292"	296.13399	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+IsoProp+H"	61.06479
"409612"	266.045388	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+Na+K"	61.952376
"774252"	383.579988	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+Na+K"	61.952376
"1673866"	148.510788	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Na+K"	61.952376
"262573"	534.154168	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+ACN+Na"	64.015768
"1235282"	299.084968	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+ACN+Na"	64.015768
"1726355"	299.108493	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+NH4+HCOOH"	64.039293
"1187334"	101.345618	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+3Na"	68.967654
"1657232"	304.063888	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Na+HCOOH"	68.994688
"164092"	547.05744	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+2K-H"	76.91904
"606932"	782.12664	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+2K-H"	76.91904
"1094723"	311.98824	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2K-H"	76.91904
"154820"	274.032358	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"2M+2K"	77.926316
"594019"	391.566958	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"3M+2K"	77.926316
"1081081"	156.497758	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2K"	77.926316
"1105549"	314.002792	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2K+H"	78.933592
"1336954"	314.090407	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+DMSO+H"	79.021207
"1009369"	318.129576	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2ACN+H"	83.060376
"1526408"	319.123208	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+IsoProp+Na+H"	84.054008
"996138"	159.568426	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+2ACN+2H"	84.067652
"1590641"	320.037828	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+K+HCOOH"	84.968628
"1427604"	350.069338	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+H+CF3COOH"	115.000138
"1157527"	180.081701	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+3ACN+2H"	125.094202
"1709263"	367.095885	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+NH4+CF3COOH"	132.026685
"1640540"	372.05128	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+Na+CF3COOH"	136.98208
"1584942"	388.02522	"C03948"	"N-Glycolyl-D-mannosaminolactone;Glycolyl-D-mannosaminolactone"	"C8H13NO7"	"235.0692"	"M+K+CF3COOH"	152.95602
"805468"	448.1006	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M"	0
"980093"	429.08221	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"69428"	297.726457333333	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"507894"	447.093324	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"888975"	148.359590666667	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"10829"	447.093324	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"447110"	671.143624	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"829287"	223.043024	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"85999"	895.193924	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"528839"	1343.294524	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"902267"	447.093324	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"50444"	912.220471	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"491836"	1360.321071	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"874745"	464.119871	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"38634"	917.175866	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"478194"	1365.276466	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"859277"	469.075266	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1629901"	469.075266	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"106796"	465.081663	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"543804"	689.131963	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"939142"	241.031363	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"279885"	931.170602	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"669392"	1379.271202	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1284347"	483.070002	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"28725"	933.149806	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"468286"	1381.250406	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"846457"	485.049206	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1571134"	485.049206	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"957830"	493.098794	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"375676"	941.199401	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"359558"	955.215051	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1505480"	507.114451	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"972780"	515.080751	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"124850"	483.070002	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"562214"	707.120302	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1029922"	259.019702	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1249502"	527.019485	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1313043"	529.075472	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1325071"	551.057429	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"916129"	561.086186	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1293932"	597.062864	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1376472"	413.087924	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1390688"	431.0979	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"290376"	897.208476	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"682795"	1345.309076	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1360239"	449.107876	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"132035"	449.107876	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"573782"	673.158176	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1040395"	225.057576	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"209393"	299.741009333333	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"647130"	449.107876	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1169266"	150.374142666667	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"431444"	914.235023	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"785837"	1362.335623	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1692050"	466.134423	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"331943"	457.6211495	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"723267"	681.6714495	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1477166"	233.5708495	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"392869"	919.190418	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"756039"	1367.291018	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1605968"	471.089818	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"315638"	460.098847	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"710244"	684.149147	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1461998"	236.048547	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1055491"	157.701456666667	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1265560"	481.134086	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"389604"	935.164358	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"752421"	1383.264958	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1548277"	487.063758	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"309828"	468.085817	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"702250"	692.136117	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1456072"	244.035517	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"238477"	938.235026	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1212643"	490.134426	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1198715"	245.570851	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"188790"	941.17236	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"630051"	1389.27296	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1135381"	493.07176	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"174297"	471.089818	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"612828"	695.140118	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1119553"	247.039518	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1403808"	165.028770666667	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1437020"	495.113346	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"224527"	476.12284	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1512954"	509.16539	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"420662"	479.076788	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"776552"	703.127088	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1673977"	255.026488	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"262685"	960.216968	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1236489"	512.116368	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1723189"	512.139893	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1192187"	172.356084666667	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1658435"	517.095288	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"166388"	973.12024	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"610325"	1421.22084	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1095931"	525.01964	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"155541"	487.063758	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"592307"	711.114058	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1083707"	263.013458	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1106752"	527.034192	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1338033"	527.121807	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1012767"	531.160976	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1536729"	532.154608	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"1001354"	266.084126	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1598407"	533.069228	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1419691"	563.100738	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1155448"	286.597401	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1711563"	580.127285	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1649278"	585.08268	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1573022"	601.05662	"C03951"	"Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;7-O-beta-D-Glucosyl-5734-tetrahydroxyflavone"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"814329"	301.0468	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M"	0
"982392"	282.02841	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H2O-H"	-19.01839
"68447"	199.690590666667	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-3H"	-3.021828
"508005"	300.039524	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-3H"	-3.021828
"883621"	99.3416573333333	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-3H"	-3.021828
"2558"	300.039524	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H"	-2.014552
"442851"	450.562924	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H"	-2.014552
"821743"	149.516124	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H"	-2.014552
"79670"	601.086324	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H"	-1.007276
"520566"	902.133124	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H"	-1.007276
"896667"	300.039524	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H"	-1.007276
"48252"	618.112871	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+NH4"	16.019271
"493039"	919.159671	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+NH4"	16.019271
"876679"	317.066071	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+NH4"	16.019271
"44945"	623.068266	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+Na"	20.974666
"484868"	924.115066	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+Na"	20.974666
"859754"	322.021466	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+Na"	20.974666
"1631840"	322.021466	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na-2H"	20.974666
"105814"	318.027863	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H+Cl"	33.962126
"547198"	468.551263	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H+Cl"	33.962126
"941442"	167.504463	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+Cl"	33.962126
"279999"	637.063002	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Cl"	34.969402
"672056"	938.109802	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Cl"	34.969402
"1285920"	336.016202	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl"	34.969402
"29206"	639.042206	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+K"	36.948606
"468401"	940.089006	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+K"	36.948606
"845474"	337.995406	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+K"	36.948606
"1570672"	337.995406	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K-2H"	36.948606
"957704"	346.044994	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+HCOOH"	44.998194
"375061"	647.091801	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+HCOOH-H"	44.998201
"354202"	661.107451	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Hac-H"	59.013851
"1504126"	360.060651	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Hac-H"	59.013851
"968387"	368.026951	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+NaCOOH"	66.980151
"121669"	336.016202	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Cl"	69.938804
"562328"	486.539602	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Cl"	69.938804
"1032587"	185.492802	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Cl"	69.938804
"1251800"	379.965685	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Br"	78.918885
"1312062"	382.021672	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+HCOOH"	80.974872
"1330654"	404.003629	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+NaCOOH"	102.956829
"919523"	414.032386	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+CF3COOH"	112.985586
"1294045"	450.009064	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+CF3COOH"	148.962264
"1379866"	266.034124	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-2H2O"	-35.012676
"1397727"	284.0441	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-H2O"	-17.0027
"295589"	603.100876	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H"	1.007276
"683634"	904.147676	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H"	1.007276
"1360350"	302.054076	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H"	1.007276
"131781"	302.054076	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2H"	2.014552
"573892"	452.577476	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2H"	2.014552
"1042691"	151.530676	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H"	2.014552
"212784"	201.705142666667	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H"	3.021828
"652344"	302.054076	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+3H"	3.021828
"1169376"	101.356209333333	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+3H"	3.021828
"430460"	620.127423	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+NH4"	18.033823
"787447"	921.174223	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+NH4"	18.033823
"1692160"	319.080623	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4"	18.033823
"331689"	310.5673495	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+NH4"	19.041099
"723744"	461.0907495	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+NH4"	19.041099
"1477683"	160.0439495	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+NH4"	19.041099
"393686"	625.082818	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na"	22.989218
"755418"	926.129618	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na"	22.989218
"1605348"	324.036018	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na"	22.989218
"315384"	313.045047	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+Na"	23.996494
"712540"	463.568447	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+Na"	23.996494
"1462226"	162.521647	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+Na"	23.996494
"1054141"	108.683523333333	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H+Na"	25.00377
"1265670"	334.080286	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+CH3OH+H"	33.033486
"386433"	641.056758	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+K"	38.963158
"751438"	942.103558	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+K"	38.963158
"1551668"	340.009958	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K"	38.963158
"308845"	321.032017	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+K"	39.970434
"702360"	471.555417	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+K"	39.970434
"1456182"	170.508617	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+K"	39.970434
"238588"	644.127426	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+H"	42.033826
"1212146"	343.080626	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+H"	42.033826
"1194365"	172.043951	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+2H"	43.041102
"188731"	647.06476	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na-H"	44.97116
"629430"	948.11156	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na-H"	44.97116
"1132078"	346.01796	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na-H"	44.97116
"173270"	324.036018	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na"	45.978436
"613844"	474.559418	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na"	45.978436
"1115846"	173.512618	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na"	45.978436
"1398929"	116.010837333333	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+2Na"	46.985712
"1430199"	348.059546	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+HCOOH"	47.012746
"222813"	329.06904	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H2O+2H"	56.04448
"1511241"	362.11159	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+H"	61.06479
"409830"	332.022988	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na+K"	61.952376
"782498"	482.546388	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na+K"	61.952376
"1674089"	181.499588	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+K"	61.952376
"260607"	666.109368	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+Na"	64.015768
"1234410"	365.062568	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+Na"	64.015768
"1726213"	365.086093	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+HCOOH"	64.039293
"1186462"	123.338151333333	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+3Na"	68.967654
"1660737"	370.041488	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+HCOOH"	68.994688
"168690"	679.01264	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K-H"	76.91904
"603875"	980.05944	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K-H"	76.91904
"1089483"	377.96584	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K-H"	76.91904
"144113"	340.009958	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K"	77.926316
"586955"	490.533358	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K"	77.926316
"1072560"	189.486558	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K"	77.926316
"1102488"	379.980392	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K+H"	78.933592
"1336933"	380.068007	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+DMSO+H"	79.021207
"1010691"	384.107176	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+H"	83.060376
"1535747"	385.100808	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+Na+H"	84.054008
"999279"	192.557226	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+2H"	84.067652
"1600343"	386.015428	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+HCOOH"	84.968628
"1428553"	416.046938	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+CF3COOH"	115.000138
"1162447"	213.070501	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+3ACN+2H"	125.094202
"1709484"	433.073485	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+CF3COOH"	132.026685
"1640760"	438.02888	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+CF3COOH"	136.98208
"1575319"	454.00282	"C03953"	"N-Acetylglucosamine 4-sulfate;N-Acetyl-D-glucosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+CF3COOH"	152.95602
"812248"	239.0946	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M"	0
"984686"	220.07621	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-H2O-H"	-19.01839
"68553"	158.389124	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M-3H"	-3.021828
"507019"	238.087324	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M-3H"	-3.021828
"888103"	78.690924	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-3H"	-3.021828
"3399"	238.087324	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M-2H"	-2.014552
"441868"	357.634624	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M-2H"	-2.014552
"821854"	118.540024	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-2H"	-2.014552
"80388"	477.181924	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M-H"	-1.007276
"520069"	716.276524	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M-H"	-1.007276
"897388"	238.087324	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-H"	-1.007276
"47386"	494.208471	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M-2H+NH4"	16.019271
"493149"	733.303071	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M-2H+NH4"	16.019271
"879473"	255.113871	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-2H+NH4"	16.019271
"46846"	499.163866	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M-2H+Na"	20.974666
"484615"	738.258466	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M-2H+Na"	20.974666
"863024"	260.069266	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-2H+Na"	20.974666
"1630490"	260.069266	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Na-2H"	20.974666
"108842"	256.075663	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M-H+Cl"	33.962126
"549937"	375.622963	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M-H+Cl"	33.962126
"942286"	136.528363	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-H+Cl"	33.962126
"281935"	513.158602	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+Cl"	34.969402
"674112"	752.253202	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+Cl"	34.969402
"1287981"	274.064002	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Cl"	34.969402
"30415"	515.137806	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M-2H+K"	36.948606
"470462"	754.232406	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M-2H+K"	36.948606
"847042"	276.043206	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-2H+K"	36.948606
"1570539"	276.043206	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+K-2H"	36.948606
"958437"	284.092794	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-H+HCOOH"	44.998194
"375172"	523.187401	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+HCOOH-H"	44.998201
"357595"	537.203051	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+Hac-H"	59.013851
"1504968"	298.108451	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Hac-H"	59.013851
"972514"	306.074751	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-H+NaCOOH"	66.980151
"122875"	274.064002	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+2Cl"	69.938804
"561341"	393.611302	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+2Cl"	69.938804
"1035249"	154.516702	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2Cl"	69.938804
"1251912"	318.013485	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Br"	78.918885
"1317277"	320.069472	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Cl+HCOOH"	80.974872
"1334291"	342.051429	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Cl+NaCOOH"	102.956829
"924009"	352.080186	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M-H+CF3COOH"	112.985586
"1303641"	388.056864	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Cl+CF3COOH"	148.962264
"1376692"	204.081924	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H-2H2O"	-35.012676
"1398251"	222.0919	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H-H2O"	-17.0027
"295699"	479.196476	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+H"	1.007276
"686297"	718.291076	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+H"	1.007276
"1360460"	240.101876	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H"	1.007276
"133348"	240.101876	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+2H"	2.014552
"574731"	359.649176	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+2H"	2.014552
"1046081"	120.554576	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2H"	2.014552
"211801"	160.403676	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+3H"	3.021828
"652454"	240.101876	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+3H"	3.021828
"1170579"	80.705476	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+3H"	3.021828
"431665"	496.223023	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+NH4"	18.033823
"793754"	735.317623	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+NH4"	18.033823
"1694822"	257.128423	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+NH4"	18.033823
"342371"	248.6151495	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+H+NH4"	19.041099
"729689"	368.1624495	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+H+NH4"	19.041099
"1478769"	129.0678495	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H+NH4"	19.041099
"393678"	501.178418	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+Na"	22.989218
"756624"	740.273018	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+Na"	22.989218
"1603386"	262.083818	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Na"	22.989218
"316582"	251.092847	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+H+Na"	23.996494
"710465"	370.640147	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+H+Na"	23.996494
"1465375"	131.545547	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H+Na"	23.996494
"1053150"	88.03279	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2H+Na"	25.00377
"1271371"	272.128086	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+CH3OH+H"	33.033486
"389826"	517.152358	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+K"	38.963158
"751185"	756.246958	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+K"	38.963158
"1552874"	278.057758	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+K"	38.963158
"311873"	259.079817	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+H+K"	39.970434
"704658"	378.627117	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+H+K"	39.970434
"1458847"	139.532517	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H+K"	39.970434
"242711"	520.223026	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+ACN+H"	42.033826
"1215419"	281.128426	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+ACN+H"	42.033826
"1199302"	141.067851	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+ACN+2H"	43.041102
"196546"	523.16036	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+2Na-H"	44.97116
"638292"	762.25496	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+2Na-H"	44.97116
"1138518"	284.06576	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2Na-H"	44.97116
"173462"	262.083818	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+2Na"	45.978436
"614199"	381.631118	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+2Na"	45.978436
"1119044"	142.536518	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2Na"	45.978436
"1401844"	95.360104	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H+2Na"	46.985712
"1431771"	286.107346	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H+HCOOH"	47.012746
"221828"	267.11684	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+3H2O+2H"	56.04448
"1508953"	300.15939	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+IsoProp+H"	61.06479
"409939"	270.070788	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+Na+K"	61.952376
"770327"	389.618088	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+Na+K"	61.952376
"1674197"	150.523488	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Na+K"	61.952376
"257434"	542.204968	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+ACN+Na"	64.015768
"1234520"	303.110368	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+ACN+Na"	64.015768
"1721219"	303.133893	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+NH4+HCOOH"	64.039293
"1183291"	102.687418	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+3Na"	68.967654
"1660851"	308.089288	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Na+HCOOH"	68.994688
"168805"	555.10824	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+2K-H"	76.91904
"605079"	794.20284	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+2K-H"	76.91904
"1089593"	316.01364	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2K-H"	76.91904
"145317"	278.057758	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"2M+2K"	77.926316
"585971"	397.605058	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"3M+2K"	77.926316
"1072669"	158.510458	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2K"	77.926316
"1101990"	318.028192	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2K+H"	78.933592
"1342268"	318.115807	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+DMSO+H"	79.021207
"1010801"	322.154976	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2ACN+H"	83.060376
"1534762"	323.148608	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+IsoProp+Na+H"	84.054008
"999752"	161.581126	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+2ACN+2H"	84.067652
"1598994"	324.063228	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+K+HCOOH"	84.968628
"1428299"	354.094738	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+H+CF3COOH"	115.000138
"1161140"	182.094401	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+3ACN+2H"	125.094202
"1711782"	371.121285	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+NH4+CF3COOH"	132.026685
"1641963"	376.07668	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+Na+CF3COOH"	136.98208
"1575429"	392.05062	"C03954"	"N-Hydroxy-2-acetamidofluorene"	"C15H13NO2"	"239.0946"	"M+K+CF3COOH"	152.95602
"805797"	204.111	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M"	0
"976047"	185.09261	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-H2O-H"	-19.01839
"65746"	135.066724	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M-3H"	-3.021828
"505306"	203.103724	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M-3H"	-3.021828
"882744"	67.029724	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-3H"	-3.021828
"2413"	203.103724	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M-2H"	-2.014552
"442336"	305.159224	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M-2H"	-2.014552
"820141"	101.048224	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-2H"	-2.014552
"79160"	407.214724	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M-H"	-1.007276
"520058"	611.325724	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M-H"	-1.007276
"896155"	203.103724	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-H"	-1.007276
"47739"	424.241271	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M-2H+NH4"	16.019271
"493259"	628.352271	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M-2H+NH4"	16.019271
"868873"	220.130271	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-2H+NH4"	16.019271
"46514"	429.196666	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M-2H+Na"	20.974666
"486267"	633.307666	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M-2H+Na"	20.974666
"861797"	225.085666	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-2H+Na"	20.974666
"1630964"	225.085666	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Na-2H"	20.974666
"105670"	221.092063	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M-H+Cl"	33.962126
"549121"	323.147563	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M-H+Cl"	33.962126
"942519"	119.036563	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-H+Cl"	33.962126
"282165"	443.191402	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+Cl"	34.969402
"670088"	647.302402	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+Cl"	34.969402
"1287844"	239.080402	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Cl"	34.969402
"30851"	445.170606	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M-2H+K"	36.948606
"470444"	649.281606	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M-2H+K"	36.948606
"847514"	241.059606	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-2H+K"	36.948606
"1570853"	241.059606	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+K-2H"	36.948606
"957967"	249.109194	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-H+HCOOH"	44.998194
"376010"	453.220201	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+HCOOH-H"	44.998201
"356609"	467.235851	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+Hac-H"	59.013851
"1504714"	263.124851	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Hac-H"	59.013851
"972259"	271.091151	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-H+NaCOOH"	66.980151
"120069"	239.080402	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+2Cl"	69.938804
"560357"	341.135902	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+2Cl"	69.938804
"1034630"	137.024902	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2Cl"	69.938804
"1252022"	283.029885	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Br"	78.918885
"1315564"	285.085872	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Cl+HCOOH"	80.974872
"1334764"	307.067829	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Cl+NaCOOH"	102.956829
"923755"	317.096586	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M-H+CF3COOH"	112.985586
"1303626"	353.073264	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Cl+CF3COOH"	148.962264
"1376438"	169.098324	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H-2H2O"	-35.012676
"1398071"	187.1083	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H-H2O"	-17.0027
"295809"	409.229276	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+H"	1.007276
"686043"	613.340276	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+H"	1.007276
"1360570"	205.118276	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H"	1.007276
"132365"	205.118276	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+2H"	2.014552
"573019"	307.173776	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+2H"	2.014552
"1044005"	103.062776	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2H"	2.014552
"209725"	137.081276	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+3H"	3.021828
"652564"	205.118276	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+3H"	3.021828
"1169596"	69.044276	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+3H"	3.021828
"431774"	426.255823	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+NH4"	18.033823
"792771"	630.366823	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+NH4"	18.033823
"1695660"	222.144823	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+NH4"	18.033823
"342845"	213.6315495	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+H+NH4"	19.041099
"729799"	315.6870495	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+H+NH4"	19.041099
"1478272"	111.5760495	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H+NH4"	19.041099
"394275"	431.211218	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+Na"	22.989218
"756126"	635.322218	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+Na"	22.989218
"1603982"	227.100218	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Na"	22.989218
"316328"	216.109247	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+H+Na"	23.996494
"708749"	318.164747	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+H+Na"	23.996494
"1462566"	114.053747	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H+Na"	23.996494
"1052977"	76.37159	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2H+Na"	25.00377
"1268078"	237.144486	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+CH3OH+H"	33.033486
"388477"	447.185158	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+K"	38.963158
"747651"	651.296158	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+K"	38.963158
"1550797"	243.074158	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+K"	38.963158
"310161"	224.096217	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+H+K"	39.970434
"701488"	326.151717	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+H+K"	39.970434
"1457501"	122.040717	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H+K"	39.970434
"243915"	450.255826	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+ACN+H"	42.033826
"1215529"	246.144826	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+ACN+H"	42.033826
"1200140"	123.576051	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+ACN+2H"	43.041102
"196656"	453.19316	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+2Na-H"	44.97116
"638402"	657.30416	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+2Na-H"	44.97116
"1139356"	249.08216	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2Na-H"	44.97116
"173653"	227.100218	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+2Na"	45.978436
"613048"	329.155718	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+2Na"	45.978436
"1118425"	125.044718	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2Na"	45.978436
"1405234"	83.698904	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H+2Na"	46.985712
"1432609"	251.123746	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H+HCOOH"	47.012746
"220271"	232.13324	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+3H2O+2H"	56.04448
"1508904"	265.17579	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+IsoProp+H"	61.06479
"409318"	235.087188	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+Na+K"	61.952376
"770552"	337.142688	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+Na+K"	61.952376
"1666890"	133.031688	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Na+K"	61.952376
"257544"	472.237768	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+ACN+Na"	64.015768
"1228793"	268.126768	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+ACN+Na"	64.015768
"1718047"	268.150293	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+NH4+HCOOH"	64.039293
"1182308"	91.026218	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+3Na"	68.967654
"1661327"	273.105688	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Na+HCOOH"	68.994688
"169642"	485.14104	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+2K-H"	76.91904
"604096"	689.25204	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+2K-H"	76.91904
"1090796"	281.03004	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2K-H"	76.91904
"145427"	243.074158	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"2M+2K"	77.926316
"587173"	345.129658	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"3M+2K"	77.926316
"1073872"	141.018658	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2K"	77.926316
"1103800"	283.044592	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2K+H"	78.933592
"1342378"	283.132207	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+DMSO+H"	79.021207
"1009817"	287.171376	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2ACN+H"	83.060376
"1536332"	288.165008	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+IsoProp+Na+H"	84.054008
"1002779"	144.089326	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+2ACN+2H"	84.067652
"1599104"	289.079628	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+K+HCOOH"	84.968628
"1427681"	319.111138	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+H+CF3COOH"	115.000138
"1162589"	164.602601	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+3ACN+2H"	125.094202
"1711892"	336.137685	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+NH4+CF3COOH"	132.026685
"1642073"	341.09308	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+Na+CF3COOH"	136.98208
"1575539"	357.06702	"C03955"	"N6-Acetyl-N6-hydroxy-L-lysine;N6-Acetyl-N6-hydroxylysine"	"C8H16N2O4"	"204.111"	"M+K+CF3COOH"	152.95602
"807002"	362.1703	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M"	0
"978346"	343.15191	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-H2O-H"	-19.01839
"65128"	240.439590666667	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M-3H"	-3.021828
"507242"	361.163024	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M-3H"	-3.021828
"881032"	119.716157333333	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-3H"	-3.021828
"6903"	361.163024	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M-2H"	-2.014552
"443185"	542.248174	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M-2H"	-2.014552
"819892"	180.077874	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-2H"	-2.014552
"91186"	723.333324	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M-H"	-1.007276
"526007"	1085.503624	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M-H"	-1.007276
"904901"	361.163024	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-H"	-1.007276
"58184"	740.359871	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M-2H+NH4"	16.019271
"499571"	1102.530171	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M-2H+NH4"	16.019271
"879569"	378.189571	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-2H+NH4"	16.019271
"46822"	745.315266	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M-2H+Na"	20.974666
"486788"	1107.485566	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M-2H+Na"	20.974666
"861906"	383.144966	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-2H+Na"	20.974666
"1628157"	383.144966	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Na-2H"	20.974666
"104684"	379.151363	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M-H+Cl"	33.962126
"543151"	560.236513	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M-H+Cl"	33.962126
"936667"	198.066213	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-H+Cl"	33.962126
"278503"	759.310002	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+Cl"	34.969402
"668740"	1121.480302	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+Cl"	34.969402
"1285515"	397.139702	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Cl"	34.969402
"30993"	761.289206	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M-2H+K"	36.948606
"467631"	1123.459506	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M-2H+K"	36.948606
"847984"	399.118906	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-2H+K"	36.948606
"1567828"	399.118906	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+K-2H"	36.948606
"948057"	407.168494	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-H+HCOOH"	44.998194
"365182"	769.338801	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+HCOOH-H"	44.998201
"349429"	783.354451	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+Hac-H"	59.013851
"1501178"	421.184151	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Hac-H"	59.013851
"964345"	429.150451	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-H+NaCOOH"	66.980151
"113621"	397.139702	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+2Cl"	69.938804
"555009"	578.224852	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+2Cl"	69.938804
"1030369"	216.054552	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2Cl"	69.938804
"1247760"	441.089185	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Br"	78.918885
"1316406"	443.145172	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Cl+HCOOH"	80.974872
"1328798"	465.127129	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Cl+NaCOOH"	102.956829
"918761"	475.155886	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M-H+CF3COOH"	112.985586
"1295472"	511.132564	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Cl+CF3COOH"	148.962264
"1379831"	327.157624	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H-2H2O"	-35.012676
"1396233"	345.1676	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H-H2O"	-17.0027
"294097"	725.347876	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+H"	1.007276
"685060"	1087.518176	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+H"	1.007276
"1353026"	363.177576	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H"	1.007276
"132476"	363.177576	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+2H"	2.014552
"578606"	544.262726	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+2H"	2.014552
"1047403"	182.092426	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2H"	2.014552
"208744"	242.454142666667	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+3H"	3.021828
"648303"	363.177576	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+3H"	3.021828
"1165335"	121.730709333333	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+3H"	3.021828
"426783"	742.374423	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+NH4"	18.033823
"791059"	1104.544723	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+NH4"	18.033823
"1687026"	380.204123	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+NH4"	18.033823
"332386"	371.6908495	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+H+NH4"	19.041099
"723226"	552.7759995	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+H+NH4"	19.041099
"1477291"	190.6056995	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H+NH4"	19.041099
"393057"	747.329818	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+Na"	22.989218
"755756"	1109.500118	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+Na"	22.989218
"1605315"	385.159518	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Na"	22.989218
"315714"	374.168547	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+H+Na"	23.996494
"710324"	555.253697	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+H+Na"	23.996494
"1468895"	193.083397	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H+Na"	23.996494
"1058861"	129.058023333333	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2H+Na"	25.00377
"1266006"	395.203786	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+CH3OH+H"	33.033486
"390049"	763.303758	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+K"	38.963158
"750313"	1125.474058	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+K"	38.963158
"1549815"	401.133458	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+K"	38.963158
"309184"	382.155517	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+H+K"	39.970434
"696135"	563.240667	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+H+K"	39.970434
"1452143"	201.070367	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H+K"	39.970434
"240744"	766.374426	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+ACN+H"	42.033826
"1216365"	404.204126	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+ACN+H"	42.033826
"1201343"	202.605701	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+ACN+2H"	43.041102
"193485"	769.31176	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+2Na-H"	44.97116
"628618"	1131.48206	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+2Na-H"	44.97116
"1132780"	407.14146	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2Na-H"	44.97116
"173400"	385.159518	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+2Na"	45.978436
"618315"	566.244668	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+2Na"	45.978436
"1122184"	204.074368	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2Na"	45.978436
"1402059"	136.385337333333	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H+2Na"	46.985712
"1430650"	409.183046	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H+HCOOH"	47.012746
"221318"	390.19254	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+3H2O+2H"	56.04448
"1510474"	423.23509	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+IsoProp+H"	61.06479
"409188"	393.146488	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+Na+K"	61.952376
"772250"	574.231638	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+Na+K"	61.952376
"1671137"	212.061338	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Na+K"	61.952376
"254739"	788.356368	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+ACN+Na"	64.015768
"1238023"	426.186068	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+ACN+Na"	64.015768
"1718898"	426.209593	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+NH4+HCOOH"	64.039293
"1187898"	143.712651333333	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+3Na"	68.967654
"1659975"	431.164988	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Na+HCOOH"	68.994688
"167932"	801.25964	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+2K-H"	76.91904
"608224"	1163.42994	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+2K-H"	76.91904
"1092005"	439.08934	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2K-H"	76.91904
"149914"	401.133458	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"2M+2K"	77.926316
"590568"	582.218608	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"3M+2K"	77.926316
"1081648"	220.048308	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2K"	77.926316
"1111577"	441.103892	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2K+H"	78.933592
"1349425"	441.191507	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+DMSO+H"	79.021207
"1016858"	445.230676	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2ACN+H"	83.060376
"1530245"	446.224308	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+IsoProp+Na+H"	84.054008
"997784"	223.118976	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+2ACN+2H"	84.067652
"1596661"	447.138928	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+K+HCOOH"	84.968628
"1422322"	477.170438	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+H+CF3COOH"	115.000138
"1155891"	243.632251	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+3ACN+2H"	125.094202
"1706537"	494.196985	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+NH4+CF3COOH"	132.026685
"1644376"	499.15238	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+Na+CF3COOH"	136.98208
"1585494"	515.12632	"C03958"	"Thyrotropin-releasing hormone;TRH;Protirelin;Thyroliberin"	"C16H22N6O4"	"362.1703"	"M+K+CF3COOH"	152.95602
"806020"	149.0324	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M"	0
"983927"	130.01401	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-H2O-H"	-19.01839
"74356"	98.3476573333333	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M-3H"	-3.021828
"506262"	148.025124	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M-3H"	-3.021828
"893908"	48.6701906666667	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-3H"	-3.021828
"9205"	148.025124	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M-2H"	-2.014552
"448764"	222.541324	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M-2H"	-2.014552
"828755"	73.508924	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-2H"	-2.014552
"93729"	297.057524	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M-H"	-1.007276
"533046"	446.089924	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M-H"	-1.007276
"910850"	148.025124	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-H"	-1.007276
"61703"	314.084071	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M-2H+NH4"	16.019271
"501992"	463.116471	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M-2H+NH4"	16.019271
"879911"	165.051671	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-2H+NH4"	16.019271
"45262"	319.039466	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M-2H+Na"	20.974666
"485066"	468.071866	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M-2H+Na"	20.974666
"856548"	170.007066	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-2H+Na"	20.974666
"1628267"	170.007066	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Na-2H"	20.974666
"107714"	166.013463	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M-H+Cl"	33.962126
"548612"	240.529663	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M-H+Cl"	33.962126
"932769"	91.497263	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-H+Cl"	33.962126
"275334"	333.034202	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+Cl"	34.969402
"671399"	482.066602	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+Cl"	34.969402
"1284896"	184.001802	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Cl"	34.969402
"28181"	335.013406	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M-2H+K"	36.948606
"466284"	484.045806	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M-2H+K"	36.948606
"840076"	185.981006	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-2H+K"	36.948606
"1559191"	185.981006	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+K-2H"	36.948606
"945982"	194.030594	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-H+HCOOH"	44.998194
"367476"	343.063001	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+HCOOH-H"	44.998201
"350266"	357.078651	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+Hac-H"	59.013851
"1494118"	208.046251	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Hac-H"	59.013851
"962267"	216.012551	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-H+NaCOOH"	66.980151
"121028"	184.001802	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+2Cl"	69.938804
"551839"	258.518002	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+2Cl"	69.938804
"1027199"	109.485602	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2Cl"	69.938804
"1247870"	227.951285	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Br"	78.918885
"1318339"	230.007272	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Cl+HCOOH"	80.974872
"1325628"	251.989229	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Cl+NaCOOH"	102.956829
"918875"	262.017986	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M-H+CF3COOH"	112.985586
"1297770"	297.994664	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Cl+CF3COOH"	148.962264
"1373745"	114.019724	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H-2H2O"	-35.012676
"1390148"	132.0297	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H-H2O"	-17.0027
"292020"	299.072076	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+H"	1.007276
"684077"	448.104476	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+H"	1.007276
"1360793"	150.039676	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H"	1.007276
"139156"	150.039676	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+2H"	2.014552
"575436"	224.555876	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+2H"	2.014552
"1042047"	75.523476	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2H"	2.014552
"208853"	100.362209333333	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+3H"	3.021828
"648413"	150.039676	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+3H"	3.021828
"1165444"	50.6847426666667	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+3H"	3.021828
"429809"	316.098623	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+NH4"	18.033823
"785942"	465.131023	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+NH4"	18.033823
"1685312"	167.066223	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+NH4"	18.033823
"331403"	158.5529495	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+H+NH4"	19.041099
"723049"	233.0691495	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+H+NH4"	19.041099
"1477149"	84.0367495	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H+NH4"	19.041099
"393167"	321.054018	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+Na"	22.989218
"763527"	470.086418	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+Na"	22.989218
"1605061"	172.021618	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Na"	22.989218
"316557"	161.030647	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+H+Na"	23.996494
"719560"	235.546847	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+H+Na"	23.996494
"1469007"	86.514447	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H+Na"	23.996494
"1057877"	58.0120566666667	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2H+Na"	25.00377
"1265023"	182.065886	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+CH3OH+H"	33.033486
"387971"	337.027958	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+K"	38.963158
"746779"	486.060358	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+K"	38.963158
"1554305"	187.995558	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+K"	38.963158
"304920"	169.017617	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+H+K"	39.970434
"697340"	243.533817	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+H+K"	39.970434
"1454438"	94.501417	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H+K"	39.970434
"241948"	340.098626	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+ACN+H"	42.033826
"1210070"	191.066226	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+ACN+H"	42.033826
"1204004"	96.036751	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+ACN+2H"	43.041102
"188651"	343.03596	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+2Na-H"	44.97116
"628538"	492.06836	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+2Na-H"	44.97116
"1135936"	194.00356	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2Na-H"	44.97116
"182147"	172.021618	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+2Na"	45.978436
"618424"	246.537818	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+2Na"	45.978436
"1121931"	97.505418	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2Na"	45.978436
"1403267"	65.3393706666667	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H+2Na"	46.985712
"1430640"	196.045146	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H+HCOOH"	47.012746
"226172"	177.05464	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+3H2O+2H"	56.04448
"1512049"	210.09719	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+IsoProp+H"	61.06479
"411005"	180.008588	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+Na+K"	61.952376
"774918"	254.524788	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+Na+K"	61.952376
"1670156"	105.492388	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Na+K"	61.952376
"266039"	362.080568	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+ACN+Na"	64.015768
"1233766"	213.048168	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+ACN+Na"	64.015768
"1722653"	213.071693	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+NH4+HCOOH"	64.039293
"1187281"	72.6666846666667	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+3Na"	68.967654
"1657902"	218.027088	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Na+HCOOH"	68.994688
"164764"	374.98384	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+2K-H"	76.91904
"608698"	524.01624	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+2K-H"	76.91904
"1096127"	225.95144	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2K-H"	76.91904
"154766"	187.995558	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"2M+2K"	77.926316
"592870"	262.511758	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"3M+2K"	77.926316
"1078477"	113.479358	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2K"	77.926316
"1113881"	227.965992	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2K+H"	78.933592
"1350629"	228.053607	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+DMSO+H"	79.021207
"1018064"	232.092776	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2ACN+H"	83.060376
"1530355"	233.086408	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+IsoProp+Na+H"	84.054008
"996802"	116.550026	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+2ACN+2H"	84.067652
"1599691"	234.001028	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+K+HCOOH"	84.968628
"1427539"	264.032538	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+H+CF3COOH"	115.000138
"1160015"	137.063301	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+3ACN+2H"	125.094202
"1708838"	281.059085	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+NH4+CF3COOH"	132.026685
"1646676"	286.01448	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+Na+CF3COOH"	136.98208
"1585605"	301.98842	"C03961"	"erythro-3-Hydroxy-Ls-aspartate;erythro-3-Hydroxy-Ls-aspartic acid;erythro-3-Hydroxy-L-aspartate;erythro-3-Hydroxy-L-aspartic acid"	"C4H7NO5"	"149.0324"	"M+K+CF3COOH"	152.95602
"814881"	318.2042	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M"	0
"987319"	299.18581	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H2O-H"	-19.01839
"72281"	211.128857333333	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-3H"	-3.021828
"512934"	317.196924	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-3H"	-3.021828
"893652"	105.060790666667	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-3H"	-3.021828
"10408"	317.196924	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H"	-2.014552
"455280"	476.299024	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H"	-2.014552
"830688"	158.094824	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H"	-2.014552
"93679"	635.401124	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-H"	-1.007276
"534052"	953.605324	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-H"	-1.007276
"911088"	317.196924	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H"	-1.007276
"62185"	652.427671	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H+NH4"	16.019271
"502791"	970.631871	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H+NH4"	16.019271
"879426"	334.223471	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H+NH4"	16.019271
"45988"	657.383066	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H+Na"	20.974666
"485055"	975.587266	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H+Na"	20.974666
"863467"	339.178866	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H+Na"	20.974666
"1633728"	339.178866	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na-2H"	20.974666
"108556"	335.185263	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-H+Cl"	33.962126
"548849"	494.287363	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-H+Cl"	33.962126
"941025"	176.083163	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+Cl"	33.962126
"277634"	671.377802	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Cl"	34.969402
"673214"	989.582002	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+Cl"	34.969402
"1282456"	353.173602	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl"	34.969402
"24647"	673.357006	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H+K"	36.948606
"470283"	991.561206	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H+K"	36.948606
"843467"	355.152806	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H+K"	36.948606
"1558213"	355.152806	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K-2H"	36.948606
"946097"	363.202394	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+HCOOH"	44.998194
"362850"	681.406601	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+HCOOH-H"	44.998201
"347825"	695.422251	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Hac-H"	59.013851
"1495565"	377.218051	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Hac-H"	59.013851
"964565"	385.184351	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+NaCOOH"	66.980151
"120045"	353.173602	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2Cl"	69.938804
"563616"	512.275702	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2Cl"	69.938804
"1029498"	194.071502	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2Cl"	69.938804
"1246888"	397.123085	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Br"	78.918885
"1312617"	399.179072	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl+HCOOH"	80.974872
"1325742"	421.161029	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl+NaCOOH"	102.956829
"915706"	431.189786	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+CF3COOH"	112.985586
"1291320"	467.166464	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl+CF3COOH"	148.962264
"1374950"	283.191524	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H-2H2O"	-35.012676
"1385886"	301.2015	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H-H2O"	-17.0027
"287758"	637.415676	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H"	1.007276
"683460"	955.619876	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H"	1.007276
"1359812"	319.211476	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H"	1.007276
"134892"	319.211476	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2H"	2.014552
"570444"	478.313576	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2H"	2.014552
"1043253"	160.109376	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2H"	2.014552
"206777"	213.143409333333	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+3H"	3.021828
"647067"	319.211476	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+3H"	3.021828
"1164461"	107.075342666667	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+3H"	3.021828
"425181"	654.442223	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+NH4"	18.033823
"785925"	972.646423	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+NH4"	18.033823
"1681773"	336.238023	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+NH4"	18.033823
"330659"	327.7247495	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H+NH4"	19.041099
"723204"	486.8268495	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H+NH4"	19.041099
"1485056"	168.6226495	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+NH4"	19.041099
"396442"	659.397618	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Na"	22.989218
"762544"	977.601818	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+Na"	22.989218
"1605171"	341.193418	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na"	22.989218
"315941"	330.202447	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H+Na"	23.996494
"718578"	489.304547	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H+Na"	23.996494
"1470211"	171.100347	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+Na"	23.996494
"1068366"	114.402656666667	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2H+Na"	25.00377
"1266229"	351.237686	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+CH3OH+H"	33.033486
"388084"	675.371558	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+K"	38.963158
"751997"	993.575758	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+K"	38.963158
"1554051"	357.167358	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K"	38.963158
"306122"	338.189417	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H+K"	39.970434
"697448"	497.291517	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H+K"	39.970434
"1447988"	179.087317	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+K"	39.970434
"237317"	678.442226	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+ACN+H"	42.033826
"1210065"	360.238026	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+ACN+H"	42.033826
"1201198"	180.622651	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+ACN+2H"	43.041102
"190061"	681.37956	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2Na-H"	44.97116
"635459"	999.58376	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2Na-H"	44.97116
"1140060"	363.17536	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2Na-H"	44.97116
"185541"	341.193418	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2Na"	45.978436
"626193"	500.295518	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2Na"	45.978436
"1129943"	182.091318	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2Na"	45.978436
"1406660"	121.729970666667	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+2Na"	46.985712
"1435495"	365.216946	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+HCOOH"	47.012746
"232847"	346.22644	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+3H2O+2H"	56.04448
"1522977"	379.26899	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+IsoProp+H"	61.06479
"415127"	349.180388	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Na+K"	61.952376
"772476"	508.282488	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+Na+K"	61.952376
"1679747"	190.078288	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na+K"	61.952376
"258980"	700.424168	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+ACN+Na"	64.015768
"1229501"	382.219968	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+ACN+Na"	64.015768
"1717660"	382.243493	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+NH4+HCOOH"	64.039293
"1184837"	129.057284666667	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+3Na"	68.967654
"1654362"	387.198888	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na+HCOOH"	68.994688
"165603"	713.32744	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2K-H"	76.91904
"604435"	1031.53164	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2K-H"	76.91904
"1091134"	395.12324	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2K-H"	76.91904
"151596"	357.167358	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2K"	77.926316
"589699"	516.269458	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2K"	77.926316
"1076398"	198.065258	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2K"	77.926316
"1112898"	397.137792	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2K+H"	78.933592
"1347096"	397.225407	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+DMSO+H"	79.021207
"1019270"	401.264576	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2ACN+H"	83.060376
"1537028"	402.258208	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+IsoProp+Na+H"	84.054008
"1003475"	201.135926	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2ACN+2H"	84.067652
"1599801"	403.172828	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K+HCOOH"	84.968628
"1426556"	433.204338	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+CF3COOH"	115.000138
"1161951"	221.649201	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+3ACN+2H"	125.094202
"1708948"	450.230885	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+NH4+CF3COOH"	132.026685
"1646786"	455.18628	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na+CF3COOH"	136.98208
"1585715"	471.16022	"C03962"	"(-)-Menthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K+CF3COOH"	152.95602
"806240"	416.329	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M"	0
"985240"	397.31061	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"72389"	276.545390666667	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"506482"	415.321724	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"894126"	137.769057333333	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"8331"	415.321724	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"452264"	623.486224	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"828975"	207.157224	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"93224"	831.650724	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"533388"	1247.979724	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"910461"	415.321724	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"61805"	848.677271	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"502736"	1265.006271	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"879293"	432.348271	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"46335"	853.632666	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"484435"	1269.961666	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"863089"	437.303666	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1633354"	437.303666	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"109276"	433.310063	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"549204"	641.474563	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"941743"	225.145563	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"277744"	867.627402	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"670165"	1283.956402	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1279286"	451.298402	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"25850"	869.606606	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"467598"	1285.935606	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"840296"	453.277606	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1559416"	453.277606	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"946206"	461.327194	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"362960"	877.656201	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"347937"	891.671851	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1496041"	475.342851	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"962486"	483.309151	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"112858"	451.298402	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"561904"	659.462902	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1029608"	243.133902	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1246998"	495.247885	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1313820"	497.303872	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1322568"	519.285829	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"913628"	529.314586	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1289971"	565.291264	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1369593"	381.316324	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1384903"	399.3263	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"284587"	833.665276	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"683570"	1249.994276	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1358825"	417.336276	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"129532"	417.336276	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"573470"	625.500776	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1045550"	209.171776	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"207615"	278.559942666667	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"648636"	417.336276	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1164936"	139.783609333333	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"426021"	850.691823	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"785947"	1267.020823	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1682009"	434.362823	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"331257"	425.8495495	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"723434"	634.0140495	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1485166"	217.6850495	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"395824"	855.647218	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"763747"	1271.976218	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1603946"	439.318218	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"318603"	428.327247	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"718688"	636.491747	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1471414"	220.162747	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1064662"	147.110923333333	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1264150"	449.362486	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"388196"	871.621158	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"750647"	1287.950158	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1554162"	455.292158	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"305140"	436.314217	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"698654"	644.478717	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1447368"	228.149717	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"236333"	874.691826	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1213415"	458.362826	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1199850"	229.685051	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"193089"	877.62916	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"637755"	1293.95816	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1141263"	461.30016	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"186139"	439.318218	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"626304"	647.482718	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1129080"	231.153718	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1406770"	154.438237333333	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1435969"	463.341746	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"224569"	444.35124	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1512268"	477.39379	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"415601"	447.305188	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"773315"	655.469688	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1680710"	239.140688	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"258358"	896.673768	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1228518"	480.344768	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1717405"	480.368293	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1183123"	161.765551333333	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1654840"	485.323688	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"163890"	909.57704	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"604545"	1325.90604	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1091244"	493.24804	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"150247"	455.292158	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"595643"	663.456658	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1078696"	247.127658	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1115324"	495.262592	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1350733"	495.350207	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1020108"	499.389376	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1537138"	500.383008	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"1005048"	250.198326	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1599182"	501.297628	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1425936"	531.329138	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1157319"	270.711601	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1709058"	548.355685	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1646896"	553.31108	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1585825"	569.28502	"C03963"	"Sarsasapogenin;(25S)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"806350"	182.0579	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M"	0
"983163"	163.03951	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"69219"	120.364657333333	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"509872"	181.050624	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"893872"	59.6786906666667	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"8440"	181.050624	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"453468"	272.079574	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"829085"	90.021674	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"93819"	363.108524	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"529728"	545.166424	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"910571"	181.050624	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"62279"	380.135071	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"501973"	562.192971	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"879724"	198.077171	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"46445"	385.090466	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"484545"	567.148366	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"863199"	203.032566	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1633462"	203.032566	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"107316"	199.038963	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"548701"	290.067913	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"942216"	108.010013	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"277854"	399.085202	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"671368"	581.143102	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1281584"	217.027302	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"23046"	401.064406	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"465886"	583.122306	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"840407"	219.006506	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1558797"	219.006506	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"946316"	227.056094	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"363434"	409.114001	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"351329"	423.129651	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1497245"	241.071751	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"962599"	249.038051	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"111023"	217.027302	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"560921"	308.056252	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1029718"	125.998352	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1244922"	260.976785	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1305546"	263.032772	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1320854"	285.014729	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"917019"	295.043486	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1290446"	331.020164	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1369703"	147.045224	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1385013"	165.0552	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"287978"	365.123076	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"681494"	547.180976	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1357842"	183.065176	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"127819"	183.065176	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"573580"	274.094126	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1043474"	92.036226	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"208089"	122.379209333333	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"646191"	183.065176	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1165046"	61.6932426666667	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"426859"	382.149623	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"785909"	564.207523	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1682728"	200.091723	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"331368"	191.5784495	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"723423"	282.6073995	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1485276"	100.5494995	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"395934"	387.105018	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"762764"	569.162918	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1603935"	205.047118	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"318713"	194.056147	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"719164"	285.085097	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1471525"	103.027197	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1065501"	69.0205566666667	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1264260"	215.091386	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"388669"	403.078958	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"749663"	585.136858	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1554883"	221.021058	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"307436"	202.043117	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"699857"	293.072067	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1452581"	111.014167	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"237537"	406.149626	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1218266"	224.091726	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1201054"	112.549501	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"192835"	409.08696	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"637867"	591.14486	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1145263"	227.02906	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"186371"	205.047118	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"627390"	296.076068	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1129433"	114.018168	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1406880"	76.3478706666667	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1435715"	229.070646	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"223586"	210.08014	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1512375"	243.12269	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"415711"	213.034088	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"773425"	304.063038	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1679846"	122.005138	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"263572"	428.131568	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1230088"	246.073668	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1716418"	246.097193	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1183960"	83.6751846666667	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1654218"	251.052588	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"160721"	441.03484	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"598458"	623.09274	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1090260"	258.97694	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"144889"	221.021058	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"595269"	312.050008	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1084118"	129.992108	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1115357"	260.991492	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1349502"	261.079107	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1021235"	265.118276	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1538343"	266.111908	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"1004064"	133.062776	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1599292"	267.026528	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1423859"	297.058038	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1158522"	153.576051	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1701511"	314.084585	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1647006"	319.03998	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1585935"	335.01392	"C03964"	"(R)-3-(4-Hydroxyphenyl)lactate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"810837"	129.079	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M"	0
"974769"	110.06061	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-H2O-H"	-19.01839
"64226"	85.0453906666667	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M-3H"	-3.021828
"513265"	128.071724	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M-3H"	-3.021828
"884510"	42.0190573333333	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-3H"	-3.021828
"7459"	128.071724	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M-2H"	-2.014552
"450299"	192.611224	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M-2H"	-2.014552
"824821"	63.532224	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-2H"	-2.014552
"91373"	257.150724	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M-H"	-1.007276
"534167"	386.229724	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M-H"	-1.007276
"911054"	128.071724	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-H"	-1.007276
"62389"	274.177271	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M-2H+NH4"	16.019271
"502314"	403.256271	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M-2H+NH4"	16.019271
"879631"	145.098271	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-2H+NH4"	16.019271
"45094"	279.132666	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M-2H+Na"	20.974666
"481375"	408.211666	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M-2H+Na"	20.974666
"864017"	150.053666	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-2H+Na"	20.974666
"1632844"	150.053666	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Na-2H"	20.974666
"109889"	146.060063	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M-H+Cl"	33.962126
"548082"	210.599563	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M-H+Cl"	33.962126
"938316"	81.520563	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-H+Cl"	33.962126
"280153"	293.127402	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+Cl"	34.969402
"671480"	422.206402	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+Cl"	34.969402
"1282789"	164.048402	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Cl"	34.969402
"24249"	295.106606	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M-2H+K"	36.948606
"461623"	424.185606	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M-2H+K"	36.948606
"835421"	166.027606	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-2H+K"	36.948606
"1558543"	166.027606	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+K-2H"	36.948606
"944603"	174.077194	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-H+HCOOH"	44.998194
"363180"	303.156201	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+HCOOH-H"	44.998201
"348525"	317.171851	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+Hac-H"	59.013851
"1495169"	188.092851	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Hac-H"	59.013851
"962719"	196.059151	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-H+NaCOOH"	66.980151
"125364"	164.048402	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+2Cl"	69.938804
"561031"	228.587902	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+2Cl"	69.938804
"1033108"	99.508902	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2Cl"	69.938804
"1248312"	207.997885	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Br"	78.918885
"1305778"	210.053872	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Cl+HCOOH"	80.974872
"1320968"	232.035829	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Cl+NaCOOH"	102.956829
"912385"	242.064586	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M-H+CF3COOH"	112.985586
"1289219"	278.041264	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Cl+CF3COOH"	148.962264
"1370910"	94.066324	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H-2H2O"	-35.012676
"1383175"	112.0763	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H-H2O"	-17.0027
"285176"	259.165276	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+H"	1.007276
"677230"	388.244276	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+H"	1.007276
"1357959"	130.086276	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H"	1.007276
"130483"	130.086276	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+2H"	2.014552
"574786"	194.625776	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+2H"	2.014552
"1043949"	65.546776	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2H"	2.014552
"206744"	87.0599426666667	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+3H"	3.021828
"646303"	130.086276	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+3H"	3.021828
"1163818"	44.0336093333333	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+3H"	3.021828
"424333"	276.191823	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+NH4"	18.033823
"785680"	405.270823	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+NH4"	18.033823
"1682109"	147.112823	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+NH4"	18.033823
"330631"	138.5995495	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+H+NH4"	19.041099
"733758"	203.1390495	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+H+NH4"	19.041099
"1486481"	74.0600495	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H+NH4"	19.041099
"405165"	281.147218	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+Na"	22.989218
"765062"	410.226218	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+Na"	22.989218
"1609883"	152.068218	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Na"	22.989218
"323207"	141.077247	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+H+Na"	23.996494
"720369"	205.616747	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+H+Na"	23.996494
"1476014"	76.537747	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H+Na"	23.996494
"1065611"	51.3609233333333	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2H+Na"	25.00377
"1267650"	162.112486	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+CH3OH+H"	33.033486
"392388"	297.121158	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+K"	38.963158
"752695"	426.200158	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+K"	38.963158
"1549278"	168.042158	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+K"	38.963158
"308639"	149.064217	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+H+K"	39.970434
"697778"	213.603717	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+H+K"	39.970434
"1451597"	84.524717	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H+K"	39.970434
"244573"	300.191826	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+ACN+H"	42.033826
"1210474"	171.112826	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+ACN+H"	42.033826
"1204087"	86.060051	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+ACN+2H"	43.041102
"201700"	303.12916	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+2Na-H"	44.97116
"643330"	432.20816	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+2Na-H"	44.97116
"1145864"	174.05016	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2Na-H"	44.97116
"188102"	152.068218	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+2Na"	45.978436
"627866"	216.607718	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+2Na"	45.978436
"1130028"	87.528718	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2Na"	45.978436
"1410271"	58.6882373333333	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H+2Na"	46.985712
"1439106"	176.091746	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H+HCOOH"	47.012746
"225520"	157.10124	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+3H2O+2H"	56.04448
"1519052"	190.14379	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+IsoProp+H"	61.06479
"415458"	160.055188	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+Na+K"	61.952376
"783746"	224.594688	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+Na+K"	61.952376
"1672788"	95.515688	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Na+K"	61.952376
"256032"	322.173768	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+ACN+Na"	64.015768
"1230928"	193.094768	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+ACN+Na"	64.015768
"1719812"	193.118293	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+NH4+HCOOH"	64.039293
"1182612"	66.0155513333333	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+3Na"	68.967654
"1657250"	198.073688	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Na+HCOOH"	68.994688
"158644"	335.07704	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+2K-H"	76.91904
"606953"	464.15604	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+2K-H"	76.91904
"1092558"	205.99804	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2K-H"	76.91904
"152658"	168.042158	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"2M+2K"	77.926316
"590031"	232.581658	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"3M+2K"	77.926316
"1083304"	103.502658	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2K"	77.926316
"1111041"	208.012592	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2K+H"	78.933592
"1349490"	208.100207	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+DMSO+H"	79.021207
"1020575"	212.139376	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2ACN+H"	83.060376
"1539552"	213.133008	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+IsoProp+Na+H"	84.054008
"1005150"	106.573326	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+2ACN+2H"	84.067652
"1602445"	214.047628	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+K+HCOOH"	84.968628
"1429402"	244.079138	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+H+CF3COOH"	115.000138
"1159727"	127.086601	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+3ACN+2H"	125.094202
"1712676"	261.105685	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+NH4+CF3COOH"	132.026685
"1647116"	266.06108	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+Na+CF3COOH"	136.98208
"1586046"	282.03502	"C03969"	"1-Aminocyclopentanecarboxylate;1-Aminocyclopentanecarboxylic acid;Cycloleucine"	"C6H11NO2"	"129.079"	"M+K+CF3COOH"	152.95602
"815319"	171.0532	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M"	0
"975730"	152.03481	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-H2O-H"	-19.01839
"65793"	113.028190666667	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M-3H"	-3.021828
"513375"	170.045924	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M-3H"	-3.021828
"884620"	56.0104573333333	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-3H"	-3.021828
"8662"	170.045924	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M-2H"	-2.014552
"451502"	255.572524	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M-2H"	-2.014552
"823838"	84.519324	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-2H"	-2.014552
"92212"	341.099124	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M-H"	-1.007276
"533684"	512.152324	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M-H"	-1.007276
"910919"	170.045924	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-H"	-1.007276
"62542"	358.125671	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M-2H+NH4"	16.019271
"502588"	529.178871	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M-2H+NH4"	16.019271
"879621"	187.072471	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-2H+NH4"	16.019271
"46952"	363.081066	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M-2H+Na"	20.974666
"485738"	534.134266	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M-2H+Na"	20.974666
"862935"	192.027866	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-2H+Na"	20.974666
"1629915"	192.027866	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Na-2H"	20.974666
"109769"	188.034263	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M-H+Cl"	33.962126
"549777"	273.560863	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M-H+Cl"	33.962126
"937333"	102.507663	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-H+Cl"	33.962126
"279168"	377.075802	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+Cl"	34.969402
"669401"	548.129002	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+Cl"	34.969402
"1279617"	206.022602	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Cl"	34.969402
"19986"	379.055006	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M-2H+K"	36.948606
"458816"	550.108206	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M-2H+K"	36.948606
"836260"	208.001806	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-2H+K"	36.948606
"1557560"	208.001806	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+K-2H"	36.948606
"944349"	216.051394	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-H+HCOOH"	44.998194
"362560"	387.104601	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+HCOOH-H"	44.998201
"346566"	401.120251	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+Hac-H"	59.013851
"1494186"	230.067051	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Hac-H"	59.013851
"962829"	238.033351	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-H+NaCOOH"	66.980151
"125598"	206.022602	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+2Cl"	69.938804
"563327"	291.549202	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+2Cl"	69.938804
"1033218"	120.496002	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2Cl"	69.938804
"1247329"	249.972085	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Br"	78.918885
"1306496"	252.028072	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Cl+HCOOH"	80.974872
"1320470"	274.010029	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Cl+NaCOOH"	102.956829
"913229"	284.038786	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M-H+CF3COOH"	112.985586
"1290301"	320.015464	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Cl+CF3COOH"	148.962264
"1369196"	136.040524	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H-2H2O"	-35.012676
"1383167"	154.0505	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H-H2O"	-17.0027
"285286"	343.113676	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+H"	1.007276
"679527"	514.166876	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+H"	1.007276
"1356976"	172.060476	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H"	1.007276
"129865"	172.060476	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+2H"	2.014552
"575989"	257.587076	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+2H"	2.014552
"1045881"	86.533876	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2H"	2.014552
"206490"	115.042742666667	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+3H"	3.021828
"647506"	172.060476	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+3H"	3.021828
"1162812"	58.0250093333333	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+3H"	3.021828
"424769"	360.140223	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+NH4"	18.033823
"785887"	531.193423	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+NH4"	18.033823
"1681415"	189.087023	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+NH4"	18.033823
"330250"	180.5737495	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+H+NH4"	19.041099
"736054"	266.1003495	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+H+NH4"	19.041099
"1485498"	95.0471495	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H+NH4"	19.041099
"407097"	365.095618	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+Na"	22.989218
"764079"	536.148818	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+Na"	22.989218
"1611086"	194.042418	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Na"	22.989218
"324410"	183.051447	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+H+Na"	23.996494
"716831"	268.578047	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+H+Na"	23.996494
"1476082"	97.524847	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H+Na"	23.996494
"1068277"	65.3523233333333	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2H+Na"	25.00377
"1268855"	204.086686	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+CH3OH+H"	33.033486
"391444"	381.069558	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+K"	38.963158
"754179"	552.122758	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+K"	38.963158
"1555018"	210.016358	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+K"	38.963158
"309114"	191.038417	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+H+K"	39.970434
"697889"	276.565017	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+H+K"	39.970434
"1452802"	105.511817	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H+K"	39.970434
"242496"	384.140226	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+ACN+H"	42.033826
"1214110"	213.087026	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+ACN+H"	42.033826
"1205290"	107.047151	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+ACN+2H"	43.041102
"203756"	387.07756	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+2Na-H"	44.97116
"644089"	558.13076	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+2Na-H"	44.97116
"1146925"	216.02436	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2Na-H"	44.97116
"188422"	194.042418	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+2Na"	45.978436
"628223"	279.569018	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+2Na"	45.978436
"1130138"	108.515818	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2Na"	45.978436
"1413297"	72.6796373333333	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H+2Na"	46.985712
"1439216"	218.065946	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H+HCOOH"	47.012746
"224537"	199.07544	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+3H2O+2H"	56.04448
"1520255"	232.11799	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+IsoProp+H"	61.06479
"415567"	202.029388	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+Na+K"	61.952376
"784707"	287.555988	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+Na+K"	61.952376
"1677270"	116.502788	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Na+K"	61.952376
"258329"	406.122168	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+ACN+Na"	64.015768
"1233224"	235.068968	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+ACN+Na"	64.015768
"1722109"	235.092493	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+NH4+HCOOH"	64.039293
"1182357"	80.0069513333333	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+3Na"	68.967654
"1657360"	240.047888	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Na+HCOOH"	68.994688
"158754"	419.02544	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+2K-H"	76.91904
"608156"	590.07864	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+2K-H"	76.91904
"1092668"	247.97224	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2K-H"	76.91904
"151675"	210.016358	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"2M+2K"	77.926316
"590141"	295.542958	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"3M+2K"	77.926316
"1083823"	124.489758	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2K"	77.926316
"1113338"	249.986792	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2K+H"	78.933592
"1350330"	250.074407	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+DMSO+H"	79.021207
"1019713"	254.113576	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2ACN+H"	83.060376
"1538690"	255.107208	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+IsoProp+Na+H"	84.054008
"1004895"	127.560426	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+2ACN+2H"	84.067652
"1601948"	256.021828	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+K+HCOOH"	84.968628
"1428457"	286.053338	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+H+CF3COOH"	115.000138
"1158744"	148.073701	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+3ACN+2H"	125.094202
"1712064"	303.079885	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+NH4+CF3COOH"	132.026685
"1647226"	308.03528	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+Na+CF3COOH"	136.98208
"1586156"	324.00922	"C03972"	"2345-Tetrahydrodipicolinate;delta1-Piperidine-26-dicarboxylate;L-2345-Tetrahydrodipicolinate;(S)-2345-Tetrahydropyridine-26-dicarboxylate"	"C7H9NO4"	"171.0532"	"M+K+CF3COOH"	152.95602
"806683"	179.0443	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M"	0
"983496"	160.02591	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-H2O-H"	-19.01839
"67365"	118.355590666667	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M-3H"	-3.021828
"518230"	178.037024	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M-3H"	-3.021828
"884730"	58.6741573333333	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-3H"	-3.021828
"8772"	178.037024	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M-2H"	-2.014552
"452707"	267.559174	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M-2H"	-2.014552
"823948"	88.514874	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-2H"	-2.014552
"93298"	357.081324	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M-H"	-1.007276
"533953"	536.125624	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M-H"	-1.007276
"911117"	178.037024	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-H"	-1.007276
"62813"	374.107871	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M-2H+NH4"	16.019271
"502532"	553.152171	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M-2H+NH4"	16.019271
"879405"	195.063571	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-2H+NH4"	16.019271
"46701"	379.063266	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M-2H+Na"	20.974666
"486924"	558.107566	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M-2H+Na"	20.974666
"863822"	200.018966	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-2H+Na"	20.974666
"1633309"	200.018966	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Na-2H"	20.974666
"108379"	196.025363	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M-H+Cl"	33.962126
"545022"	285.547513	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M-H+Cl"	33.962126
"937443"	106.503213	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-H+Cl"	33.962126
"278186"	393.058002	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+Cl"	34.969402
"666231"	572.102302	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+Cl"	34.969402
"1276081"	214.013702	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Cl"	34.969402
"17907"	395.037206	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M-2H+K"	36.948606
"467320"	574.081506	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M-2H+K"	36.948606
"836372"	215.992906	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-2H+K"	36.948606
"1560955"	215.992906	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+K-2H"	36.948606
"943734"	224.042494	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-H+HCOOH"	44.998194
"363771"	403.086801	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+HCOOH-H"	44.998201
"345839"	417.102451	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+Hac-H"	59.013851
"1493332"	238.058151	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Hac-H"	59.013851
"958576"	246.024451	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-H+NaCOOH"	66.980151
"118409"	214.013702	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+2Cl"	69.938804
"556876"	303.535852	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+2Cl"	69.938804
"1024580"	124.491552	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2Cl"	69.938804
"1243068"	257.963185	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Br"	78.918885
"1305518"	260.019172	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Cl+HCOOH"	80.974872
"1323014"	282.001129	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Cl+NaCOOH"	102.956829
"912003"	292.029886	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M-H+CF3COOH"	112.985586
"1299532"	328.006564	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Cl+CF3COOH"	148.962264
"1377692"	144.031624	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H-2H2O"	-35.012676
"1394095"	162.0416	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H-H2O"	-17.0027
"285397"	359.095876	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+H"	1.007276
"680736"	538.140176	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+H"	1.007276
"1365472"	180.051576	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H"	1.007276
"133260"	180.051576	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+2H"	2.014552
"575006"	269.573726	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+2H"	2.014552
"1039429"	90.529426	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2H"	2.014552
"206230"	120.370142666667	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+3H"	3.021828
"645790"	180.051576	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+3H"	3.021828
"1166475"	60.6887093333333	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+3H"	3.021828
"424557"	376.122423	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+NH4"	18.033823
"785915"	555.166723	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+NH4"	18.033823
"1681359"	197.078123	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+NH4"	18.033823
"344841"	188.5648495	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+H+NH4"	19.041099
"735800"	278.0869995	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+H+NH4"	19.041099
"1490352"	99.0426995	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H+NH4"	19.041099
"405750"	381.077818	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+Na"	22.989218
"766378"	560.122118	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+Na"	22.989218
"1618054"	202.033518	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Na"	22.989218
"329839"	191.042547	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+H+Na"	23.996494
"722793"	280.564697	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+H+Na"	23.996494
"1476481"	101.520397	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H+Na"	23.996494
"1068021"	68.0160233333333	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2H+Na"	25.00377
"1272212"	212.077786	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+CH3OH+H"	33.033486
"392758"	397.051758	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+K"	38.963158
"749632"	576.096058	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+K"	38.963158
"1550591"	218.007458	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+K"	38.963158
"308860"	199.029517	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+H+K"	39.970434
"697999"	288.551667	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+H+K"	39.970434
"1455099"	109.507367	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H+K"	39.970434
"240419"	400.122426	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+ACN+H"	42.033826
"1221885"	221.078126	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+ACN+H"	42.033826
"1209295"	111.042701	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+ACN+2H"	43.041102
"202892"	403.05976	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+2Na-H"	44.97116
"643963"	582.10406	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+2Na-H"	44.97116
"1146985"	224.01546	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2Na-H"	44.97116
"188322"	202.033518	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+2Na"	45.978436
"627477"	291.555668	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+2Na"	45.978436
"1131297"	112.511368	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2Na"	45.978436
"1407211"	75.3433373333333	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H+2Na"	46.985712
"1439328"	226.057046	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H+HCOOH"	47.012746
"231211"	207.06654	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+3H2O+2H"	56.04448
"1517087"	240.10909	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+IsoProp+H"	61.06479
"422243"	210.020488	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+Na+K"	61.952376
"776677"	299.542638	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+Na+K"	61.952376
"1667546"	120.498338	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Na+K"	61.952376
"252973"	422.104368	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+ACN+Na"	64.015768
"1227502"	243.060068	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+ACN+Na"	64.015768
"1715291"	243.083593	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+NH4+HCOOH"	64.039293
"1182109"	82.6706513333333	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+3Na"	68.967654
"1654190"	248.038988	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Na+HCOOH"	68.994688
"161051"	435.00764	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+2K-H"	76.91904
"599518"	614.05194	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+2K-H"	76.91904
"1097155"	255.96334	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2K-H"	76.91904
"156039"	218.007458	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"2M+2K"	77.926316
"596867"	307.529608	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"3M+2K"	77.926316
"1082425"	128.485308	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2K"	77.926316
"1114299"	257.977892	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2K+H"	78.933592
"1347644"	258.065507	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+DMSO+H"	79.021207
"1019455"	262.104676	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2ACN+H"	83.060376
"1537581"	263.098308	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+IsoProp+Na+H"	84.054008
"1000749"	131.555976	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+2ACN+2H"	84.067652
"1601813"	264.012928	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+K+HCOOH"	84.968628
"1429539"	294.044438	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+H+CF3COOH"	115.000138
"1158858"	152.069251	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+3ACN+2H"	125.094202
"1712499"	311.070985	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+NH4+CF3COOH"	132.026685
"1648070"	316.02638	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+Na+CF3COOH"	136.98208
"1586267"	332.00032	"C03975"	"Isoxanthopterin;2-Amino-47-dihydroxypteridine"	"C6H5N5O2"	"179.0443"	"M+K+CF3COOH"	152.95602
"806793"	162.0528	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M"	0
"983606"	143.03441	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"66382"	107.027924	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"516517"	161.045524	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"884840"	53.010324	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"8882"	161.045524	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"446256"	242.071924	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"824058"	80.019124	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"93408"	323.098324	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"533456"	485.151124	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"911021"	161.045524	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"62483"	340.124871	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"502162"	502.177671	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"879353"	178.072071	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"45065"	345.080266	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"486815"	507.133066	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"862426"	183.027466	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1631960"	183.027466	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"105208"	179.033863	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"544039"	260.060263	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"934273"	98.007463	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"272828"	359.075002	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"667434"	521.127802	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1277285"	197.022202	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"20206"	361.054206	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"467430"	523.107006	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"836483"	199.001406	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1559972"	199.001406	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"944574"	207.050994	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"362786"	369.103801	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"346303"	383.119451	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1493685"	221.066651	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"959396"	229.032951	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"118519"	197.022202	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"556986"	278.048602	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1024690"	115.995802	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1244267"	240.971685	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1305380"	243.027672	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1321295"	265.009629	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"913449"	275.038386	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1299642"	311.015064	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1379989"	127.040124	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1394205"	145.0501	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"285143"	325.112876	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"681939"	487.165676	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1365582"	163.060076	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"136650"	163.060076	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"576209"	244.086476	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1039175"	82.033676	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"205976"	109.042476	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"645901"	163.060076	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1166585"	55.024876	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"425477"	342.139423	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"787199"	504.192223	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1682805"	180.086623	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"344218"	171.5733495	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"736637"	252.5997495	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1490458"	90.5469495	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"405857"	347.094818	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"767946"	509.147618	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1609118"	185.042018	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"326812"	174.051047	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"718872"	255.077447	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1476350"	93.024647	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1067769"	62.35219	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1272693"	195.086286	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"392567"	363.068758	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"746463"	525.121558	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1550703"	201.015958	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"304598"	182.038017	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"698473"	263.064417	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1451927"	101.011617	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"243809"	366.139426	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1225037"	204.086626	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1207583"	102.546951	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"203249"	369.07676	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"642688"	531.12956	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1146320"	207.02396	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"188152"	185.042018	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"626860"	266.068418	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1129633"	104.015618	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1407321"	69.679504	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1439438"	209.065546	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"230593"	190.07504	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1517927"	223.11759	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"420169"	193.028988	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"781164"	274.055388	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1666561"	112.002588	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"254176"	388.121368	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1233443"	226.068568	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1717957"	226.092093	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1183313"	77.006818	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1657580"	231.047488	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"157513"	401.02464	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"599628"	563.07744	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1099095"	238.97184	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"157126"	201.015958	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"595712"	282.042358	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1083265"	119.989558	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1113558"	240.986392	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1348848"	241.074007	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1018472"	245.113176	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1536598"	246.106808	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"1004139"	123.060226	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1601560"	247.021428	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1429692"	277.052938	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1160061"	143.573501	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1711798"	294.079485	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1647087"	299.03488	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1586377"	315.00882	"C03979"	"2-Dehydro-3-deoxy-L-rhamnonate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"806903"	242.0668	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M"	0
"974968"	223.04841	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-H2O-H"	-19.01839
"66492"	160.370590666667	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M-3H"	-3.021828
"516263"	241.059524	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M-3H"	-3.021828
"888230"	79.6816573333333	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-3H"	-3.021828
"10086"	241.059524	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M-2H"	-2.014552
"448553"	362.092924	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M-2H"	-2.014552
"825261"	120.026124	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-2H"	-2.014552
"92182"	483.126324	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M-H"	-1.007276
"532841"	725.193124	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M-H"	-1.007276
"910649"	241.059524	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-H"	-1.007276
"62470"	500.152871	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M-2H+NH4"	16.019271
"501663"	742.219671	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M-2H+NH4"	16.019271
"879897"	258.086071	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-2H+NH4"	16.019271
"45297"	505.108266	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M-2H+Na"	20.974666
"486891"	747.175066	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M-2H+Na"	20.974666
"861080"	263.041466	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-2H+Na"	20.974666
"1630249"	263.041466	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Na-2H"	20.974666
"104589"	259.047863	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M-H+Cl"	33.962126
"544149"	380.081263	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M-H+Cl"	33.962126
"935476"	138.014463	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-H+Cl"	33.962126
"274032"	519.103002	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+Cl"	34.969402
"665358"	761.169802	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+Cl"	34.969402
"1277759"	277.036202	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Cl"	34.969402
"19223"	521.082206	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M-2H+K"	36.948606
"458792"	763.149006	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M-2H+K"	36.948606
"833434"	279.015406	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-2H+K"	36.948606
"1560082"	279.015406	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+K-2H"	36.948606
"944684"	287.064994	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-H+HCOOH"	44.998194
"362897"	529.131801	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+HCOOH-H"	44.998201
"346779"	543.147451	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+Hac-H"	59.013851
"1494524"	301.080651	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Hac-H"	59.013851
"958937"	309.046951	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-H+NaCOOH"	66.980151
"118629"	277.036202	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+2Cl"	69.938804
"552722"	398.069602	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+2Cl"	69.938804
"1024800"	156.002802	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2Cl"	69.938804
"1242189"	320.985685	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Br"	78.918885
"1305005"	323.041672	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Cl+HCOOH"	80.974872
"1321404"	345.023629	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Cl+NaCOOH"	102.956829
"914649"	355.052386	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M-H+CF3COOH"	112.985586
"1299752"	391.029064	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Cl+CF3COOH"	148.962264
"1379735"	207.054124	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H-2H2O"	-35.012676
"1387754"	225.0641	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H-H2O"	-17.0027
"285253"	485.140876	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+H"	1.007276
"680956"	727.207676	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+H"	1.007276
"1353051"	243.074076	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H"	1.007276
"137855"	243.074076	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+2H"	2.014552
"573039"	364.107476	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+2H"	2.014552
"1037949"	122.040676	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2H"	2.014552
"204911"	162.385142666667	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+3H"	3.021828
"645401"	243.074076	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+3H"	3.021828
"1164871"	81.6962093333333	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+3H"	3.021828
"424979"	502.167423	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+NH4"	18.033823
"786824"	744.234223	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+NH4"	18.033823
"1682182"	260.100623	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+NH4"	18.033823
"344690"	251.5873495	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+H+NH4"	19.041099
"734195"	372.6207495	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+H+NH4"	19.041099
"1490568"	130.5539495	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H+NH4"	19.041099
"403415"	507.122818	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+Na"	22.989218
"764411"	749.189618	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+Na"	22.989218
"1605948"	265.056018	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Na"	22.989218
"326923"	254.065047	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+H+Na"	23.996494
"718984"	375.098447	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+H+Na"	23.996494
"1476580"	133.031647	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H+Na"	23.996494
"1067637"	89.0235233333333	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2H+Na"	25.00377
"1272478"	275.100286	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+CH3OH+H"	33.033486
"391903"	523.096758	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+K"	38.963158
"752407"	765.163558	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+K"	38.963158
"1554096"	281.029958	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+K"	38.963158
"309447"	262.052017	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+H+K"	39.970434
"697127"	383.085417	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+H+K"	39.970434
"1452037"	141.018617	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H+K"	39.970434
"240639"	526.167426	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+ACN+H"	42.033826
"1225153"	284.100626	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+ACN+H"	42.033826
"1209396"	142.553951	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+ACN+2H"	43.041102
"203125"	529.10476	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+2Na-H"	44.97116
"643167"	771.17156	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+2Na-H"	44.97116
"1145944"	287.03796	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2Na-H"	44.97116
"185951"	265.056018	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+2Na"	45.978436
"627335"	386.089418	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+2Na"	45.978436
"1129622"	144.022618	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2Na"	45.978436
"1409617"	96.3508373333333	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H+2Na"	46.985712
"1439548"	289.079546	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H+HCOOH"	47.012746
"229611"	270.08904	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+3H2O+2H"	56.04448
"1518038"	303.13159	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+H"	61.06479
"422102"	273.042988	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+Na+K"	61.952376
"779453"	394.076388	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+Na+K"	61.952376
"1674694"	152.009588	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Na+K"	61.952376
"255381"	548.149368	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+ACN+Na"	64.015768
"1231368"	306.082568	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+ACN+Na"	64.015768
"1718067"	306.106093	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+NH4+HCOOH"	64.039293
"1182328"	103.678151333333	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+3Na"	68.967654
"1654410"	311.061488	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Na+HCOOH"	68.994688
"157460"	561.05264	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+2K-H"	76.91904
"601924"	803.11944	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+2K-H"	76.91904
"1098964"	318.98584	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2K-H"	76.91904
"156751"	281.029958	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"2M+2K"	77.926316
"595949"	402.063358	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"3M+2K"	77.926316
"1082406"	159.996558	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2K"	77.926316
"1113427"	321.000392	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2K+H"	78.933592
"1351315"	321.088007	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+DMSO+H"	79.021207
"1021345"	325.127176	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2ACN+H"	83.060376
"1536709"	326.120808	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+Na+H"	84.054008
"1005629"	163.067226	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+2ACN+2H"	84.067652
"1601672"	327.035428	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+K+HCOOH"	84.968628
"1428427"	357.066938	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+H+CF3COOH"	115.000138
"1161267"	183.580501	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+3ACN+2H"	125.094202
"1711547"	374.093485	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+NH4+CF3COOH"	132.026685
"1649019"	379.04888	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+Na+CF3COOH"	136.98208
"1586487"	395.02282	"C03980"	"2-Deoxystreptamine 4-phosphate"	"C6H15N2O6P"	"242.0668"	"M+K+CF3COOH"	152.95602
"807013"	132.0059	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M"	0
"975078"	112.98751	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-H2O-H"	-19.01839
"64046"	86.9966573333333	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M-3H"	-3.021828
"507255"	130.998624	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M-3H"	-3.021828
"883964"	42.9946906666667	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-3H"	-3.021828
"3632"	130.998624	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M-2H"	-2.014552
"446475"	197.001574	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M-2H"	-2.014552
"832721"	64.995674	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-2H"	-2.014552
"93962"	263.004524	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M-H"	-1.007276
"534040"	395.010424	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M-H"	-1.007276
"910398"	130.998624	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-H"	-1.007276
"61250"	280.031071	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M-2H+NH4"	16.019271
"502226"	412.036971	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M-2H+NH4"	16.019271
"879097"	148.025171	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-2H+NH4"	16.019271
"46512"	284.986466	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M-2H+Na"	20.974666
"486432"	416.992366	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M-2H+Na"	20.974666
"862282"	152.980566	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-2H+Na"	20.974666
"1633276"	152.980566	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Na-2H"	20.974666
"104699"	148.986963	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M-H+Cl"	33.962126
"544259"	214.989913	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M-H+Cl"	33.962126
"936679"	82.984013	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-H+Cl"	33.962126
"278515"	298.981202	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+Cl"	34.969402
"668748"	430.987102	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+Cl"	34.969402
"1278964"	166.975302	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Cl"	34.969402
"19337"	300.960406	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M-2H+K"	36.948606
"458902"	432.966306	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M-2H+K"	36.948606
"834513"	168.954506	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-2H+K"	36.948606
"1562380"	168.954506	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+K-2H"	36.948606
"948075"	177.004094	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-H+HCOOH"	44.998194
"362278"	309.010001	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+HCOOH-H"	44.998201
"347256"	323.025651	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+Hac-H"	59.013851
"1502289"	191.019751	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Hac-H"	59.013851
"959252"	198.986051	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-H+NaCOOH"	66.980151
"118738"	166.975302	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+2Cl"	69.938804
"551492"	232.978252	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+2Cl"	69.938804
"1024910"	100.972352	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2Cl"	69.938804
"1243395"	210.924785	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Br"	78.918885
"1305841"	212.980772	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Cl+HCOOH"	80.974872
"1321515"	234.962729	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Cl+NaCOOH"	102.956829
"913302"	244.991486	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M-H+CF3COOH"	112.985586
"1300956"	280.968164	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Cl+CF3COOH"	148.962264
"1378023"	96.993224	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H-2H2O"	-35.012676
"1394424"	115.0032	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H-H2O"	-17.0027
"290831"	265.019076	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+H"	1.007276
"681066"	397.024976	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+H"	1.007276
"1352305"	133.013176	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H"	1.007276
"137966"	133.013176	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+2H"	2.014552
"577524"	199.016126	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+2H"	2.014552
"1041219"	67.010226	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2H"	2.014552
"209850"	89.0112093333333	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+3H"	3.021828
"645032"	133.013176	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+3H"	3.021828
"1165345"	45.0092426666667	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+3H"	3.021828
"425336"	282.045623	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+NH4"	18.033823
"787057"	414.051523	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+NH4"	18.033823
"1682171"	150.039723	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+NH4"	18.033823
"344443"	141.5264495	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+H+NH4"	19.041099
"737553"	207.5293995	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+H+NH4"	19.041099
"1492102"	75.5234995	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H+NH4"	19.041099
"407899"	287.001018	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+Na"	22.989218
"768895"	419.006918	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+Na"	22.989218
"1608245"	154.995118	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Na"	22.989218
"328857"	144.004147	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+H+Na"	23.996494
"719822"	210.007097	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+H+Na"	23.996494
"1475834"	78.001197	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H+Na"	23.996494
"1067868"	52.3365566666667	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2H+Na"	25.00377
"1272464"	165.039386	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+CH3OH+H"	33.033486
"392691"	302.974958	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+K"	38.963158
"746683"	434.980858	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+K"	38.963158
"1552746"	170.969058	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+K"	38.963158
"310284"	151.991117	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+H+K"	39.970434
"699424"	217.994067	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+H+K"	39.970434
"1451054"	85.988167	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H+K"	39.970434
"240750"	306.045626	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+ACN+H"	42.033826
"1221847"	174.039726	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+ACN+H"	42.033826
"1209268"	87.523501	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+ACN+2H"	43.041102
"202627"	308.98296	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+2Na-H"	44.97116
"643642"	440.98886	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+2Na-H"	44.97116
"1145690"	176.97706	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2Na-H"	44.97116
"187520"	154.995118	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+2Na"	45.978436
"626715"	220.998068	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+2Na"	45.978436
"1128760"	88.992168	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2Na"	45.978436
"1407539"	59.6638706666667	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H+2Na"	46.985712
"1439658"	179.018646	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H+HCOOH"	47.012746
"230446"	160.02814	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+3H2O+2H"	56.04448
"1519971"	193.07069	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+IsoProp+H"	61.06479
"423672"	162.982088	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+Na+K"	61.952376
"784305"	228.985038	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+Na+K"	61.952376
"1672252"	96.979138	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Na+K"	61.952376
"256584"	328.027568	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+ACN+Na"	64.015768
"1235124"	196.021668	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+ACN+Na"	64.015768
"1722915"	196.045193	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+NH4+HCOOH"	64.039293
"1186810"	66.9911846666667	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+3Na"	68.967654
"1657799"	201.000588	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Na+HCOOH"	68.994688
"160287"	340.93084	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+2K-H"	76.91904
"603126"	472.93674	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+2K-H"	76.91904
"1098094"	208.92494	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2K-H"	76.91904
"151020"	170.969058	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"2M+2K"	77.926316
"596911"	236.972008	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"3M+2K"	77.926316
"1084099"	104.966108	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2K"	77.926316
"1115122"	210.939492	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2K+H"	78.933592
"1350658"	211.027107	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+DMSO+H"	79.021207
"1021089"	215.066276	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2ACN+H"	83.060376
"1539580"	216.059908	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+IsoProp+Na+H"	84.054008
"1005338"	108.036776	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+2ACN+2H"	84.067652
"1602390"	216.974528	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+K+HCOOH"	84.968628
"1427444"	247.006038	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+H+CF3COOH"	115.000138
"1160284"	128.550051	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+3ACN+2H"	125.094202
"1710929"	264.032585	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+NH4+CF3COOH"	132.026685
"1647307"	268.98798	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+Na+CF3COOH"	136.98208
"1586597"	284.96192	"C03981"	"2-Hydroxyethylenedicarboxylate;enol-Oxaloacetate;enol-Oxaloacetic acid;2-Hydroxybut-2-enedioic acid"	"C4H4O5"	"132.0059"	"M+K+CF3COOH"	152.95602
"807123"	101.0841	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M"	0
"974579"	82.06571	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-H2O-H"	-19.01839
"62872"	66.382124	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M-3H"	-3.021828
"504085"	100.076824	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M-3H"	-3.021828
"881888"	32.687424	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-3H"	-3.021828
"1552"	100.076824	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M-2H"	-2.014552
"444394"	150.618874	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M-2H"	-2.014552
"821105"	49.534774	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-2H"	-2.014552
"94218"	201.160924	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M-H"	-1.007276
"533907"	302.245024	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M-H"	-1.007276
"911188"	100.076824	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-H"	-1.007276
"62617"	218.187471	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M-2H+NH4"	16.019271
"502690"	319.271571	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M-2H+NH4"	16.019271
"879868"	117.103371	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-2H+NH4"	16.019271
"47053"	223.142866	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M-2H+Na"	20.974666
"487021"	324.226966	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M-2H+Na"	20.974666
"861663"	122.058766	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-2H+Na"	20.974666
"1633467"	122.058766	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Na-2H"	20.974666
"102623"	118.065163	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M-H+Cl"	33.962126
"546556"	168.607213	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M-H+Cl"	33.962126
"935696"	67.523113	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-H+Cl"	33.962126
"275345"	237.137602	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+Cl"	34.969402
"668858"	338.221702	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+Cl"	34.969402
"1280167"	136.053502	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Cl"	34.969402
"18718"	239.116806	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M-2H+K"	36.948606
"456577"	340.200906	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M-2H+K"	36.948606
"833649"	138.032706	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-2H+K"	36.948606
"1562490"	138.032706	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+K-2H"	36.948606
"948185"	146.082294	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-H+HCOOH"	44.998194
"362024"	247.166401	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+HCOOH-H"	44.998201
"347366"	261.182051	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+Hac-H"	59.013851
"1500212"	160.097951	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Hac-H"	59.013851
"958998"	168.064251	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-H+NaCOOH"	66.980151
"117755"	136.053502	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+2Cl"	69.938804
"550266"	186.595552	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+2Cl"	69.938804
"1025020"	85.511452	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2Cl"	69.938804
"1243869"	180.002985	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Br"	78.918885
"1307044"	182.058972	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Cl+HCOOH"	80.974872
"1321988"	204.040929	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Cl+NaCOOH"	102.956829
"913048"	214.069686	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M-H+CF3COOH"	112.985586
"1301431"	250.046364	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Cl+CF3COOH"	148.962264
"1378133"	66.071424	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H-2H2O"	-35.012676
"1391254"	84.0814	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H-H2O"	-17.0027
"290941"	203.175476	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+H"	1.007276
"680083"	304.259576	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+H"	1.007276
"1352414"	102.091376	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H"	1.007276
"138077"	102.091376	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+2H"	2.014552
"577271"	152.633426	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+2H"	2.014552
"1041329"	51.549326	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2H"	2.014552
"211053"	68.396676	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+3H"	3.021828
"646235"	102.091376	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+3H"	3.021828
"1165819"	34.701976	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+3H"	3.021828
"425446"	220.202023	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+NH4"	18.033823
"787167"	321.286123	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+NH4"	18.033823
"1683132"	119.117923	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+NH4"	18.033823
"344919"	110.6046495	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+H+NH4"	19.041099
"736974"	161.1466995	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+H+NH4"	19.041099
"1492375"	60.0625995	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H+NH4"	19.041099
"405822"	225.157418	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+Na"	22.989218
"767548"	326.241518	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+Na"	22.989218
"1609448"	124.073318	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Na"	22.989218
"329331"	113.082347	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+H+Na"	23.996494
"721024"	163.624397	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+H+Na"	23.996494
"1475944"	62.540297	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H+Na"	23.996494
"1068342"	42.02929	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2H+Na"	25.00377
"1271963"	134.117586	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+CH3OH+H"	33.033486
"392360"	241.131358	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+K"	38.963158
"751897"	342.215458	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+K"	38.963158
"1549940"	140.047258	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+K"	38.963158
"310394"	121.069317	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+H+K"	39.970434
"698440"	171.611367	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+H+K"	39.970434
"1452257"	70.527267	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H+K"	39.970434
"240858"	244.202026	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+ACN+H"	42.033826
"1220135"	143.117926	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+ACN+H"	42.033826
"1209460"	72.062601	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+ACN+2H"	43.041102
"203994"	247.13936	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+2Na-H"	44.97116
"643263"	348.22346	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+2Na-H"	44.97116
"1144330"	146.05526	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2Na-H"	44.97116
"187994"	124.073318	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+2Na"	45.978436
"627189"	174.615368	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+2Na"	45.978436
"1128867"	73.531268	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2Na"	45.978436
"1405462"	49.356604	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H+2Na"	46.985712
"1438673"	148.096846	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H+HCOOH"	47.012746
"228369"	129.10634	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+3H2O+2H"	56.04448
"1519714"	162.14889	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+IsoProp+H"	61.06479
"422323"	132.060288	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+Na+K"	61.952376
"782957"	182.602338	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+Na+K"	61.952376
"1677103"	81.518238	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Na+K"	61.952376
"258881"	266.183968	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+ACN+Na"	64.015768
"1234869"	165.099868	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+ACN+Na"	64.015768
"1722661"	165.123393	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+NH4+HCOOH"	64.039293
"1184734"	56.683918	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+3Na"	68.967654
"1655723"	170.078788	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Na+HCOOH"	68.994688
"159304"	279.08724	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+2K-H"	76.91904
"603237"	380.17134	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+2K-H"	76.91904
"1097231"	178.00314	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2K-H"	76.91904
"150037"	140.047258	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"2M+2K"	77.926316
"596983"	190.589308	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"3M+2K"	77.926316
"1083477"	89.505208	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2K"	77.926316
"1115234"	180.017692	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2K+H"	78.933592
"1350891"	180.105307	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+DMSO+H"	79.021207
"1020514"	184.144476	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2ACN+H"	83.060376
"1539119"	185.138108	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+IsoProp+Na+H"	84.054008
"1005329"	92.575876	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+2ACN+2H"	84.067652
"1602259"	186.052728	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+K+HCOOH"	84.968628
"1429376"	216.084238	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+H+CF3COOH"	115.000138
"1161123"	113.089151	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+3ACN+2H"	125.094202
"1711647"	233.110785	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+NH4+CF3COOH"	132.026685
"1648510"	238.06618	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+Na+CF3COOH"	136.98208
"1586707"	254.04012	"C03982"	"2-Methylpropanal O-methyloxime;Isobutyraldoxime O-methyl ether"	"C5H11NO"	"101.0841"	"M+K+CF3COOH"	152.95602
"807233"	154.1358	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M"	0
"976392"	135.11741	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"63042"	101.749924	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"506382"	153.128524	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"880060"	50.371324	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"569"	153.128524	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"444505"	230.196424	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"823399"	76.060624	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"93122"	307.264324	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"534146"	461.400124	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"911100"	153.128524	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"62822"	324.290871	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"502444"	478.426671	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"879747"	170.155071	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"47099"	329.246266	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"487091"	483.382066	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"864131"	175.110466	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1633131"	175.110466	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"106013"	171.116863	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"544479"	248.184763	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939815"	94.048963	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"277642"	343.241002	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"668968"	497.376802	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1275905"	189.105202	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"21749"	345.220206	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"464590"	499.356006	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846404"	191.084406	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1570257"	191.084406	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"951576"	199.133994	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"361927"	353.269801	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"358418"	367.285451	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1502510"	213.149651	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"973334"	221.115951	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"118958"	189.105202	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"559612"	266.173102	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1029504"	112.037302	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1242519"	233.054685	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1304969"	235.110672	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321734"	257.092629	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"912791"	267.121386	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1301908"	303.098064	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1378245"	119.123124	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1397203"	137.1331	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"293239"	309.278876	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"685660"	463.414676	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1362016"	155.143076	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H"	1.007276
"136363"	155.143076	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"576652"	232.210976	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1047640"	78.075176	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"212258"	103.764476	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"653278"	155.143076	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1165203"	52.385876	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"426650"	326.305423	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"788009"	480.441223	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1694928"	172.169623	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"344298"	163.6563495	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"735619"	240.7242495	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1488712"	86.5884495	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"405569"	331.260818	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"766565"	485.396618	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1610655"	177.125018	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"327252"	166.134047	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"722113"	243.201947	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1475691"	89.066147	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1066747"	59.71319	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1272660"	187.169286	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"387004"	347.234758	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"747999"	501.370558	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1551873"	193.098958	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+K"	38.963158
"308318"	174.121017	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"697456"	251.188917	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449087"	97.053117	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"250580"	350.305426	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1224268"	196.169626	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1209004"	98.588451	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"203571"	353.24276	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"642401"	507.37856	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1144823"	199.10696	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"186649"	177.125018	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"625842"	254.192918	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1126428"	100.057118	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1411046"	67.040504	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1436598"	201.148546	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"227386"	182.15804	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1521653"	215.20059	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"420613"	185.111988	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"783433"	262.179888	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1673564"	108.044088	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"257896"	372.287368	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1231698"	218.151568	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1718396"	218.175093	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1184847"	74.367818	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1656926"	223.130488	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"159776"	385.19064	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"602257"	539.32644	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1097341"	231.05484	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"157021"	193.098958	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"596935"	270.166858	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1083586"	116.031058	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1115588"	233.069392	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1350024"	233.157007	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1021108"	237.196176	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1537040"	238.189808	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1005314"	119.101726	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1602368"	239.104428	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1428028"	269.135938	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1162206"	139.615001	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1711392"	286.162485	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1647527"	291.11788	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1586818"	307.09182	"C03985"	"37-Dimethylocta-16-dien-3-ol;Linalool"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"807343"	167.0582	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M"	0
"975773"	148.03981	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"63362"	110.364857333333	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"505399"	166.050924	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"880238"	54.6787906666667	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"3960"	166.050924	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"444615"	249.580024	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"823509"	82.521824	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"87878"	333.109124	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"533892"	500.167324	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"910722"	166.050924	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"62426"	350.135671	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"502232"	517.193871	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"879181"	183.077471	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"45374"	355.091066	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"485300"	522.149266	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"863872"	188.032866	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1632634"	188.032866	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"106123"	184.039263	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"545683"	267.568363	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"939196"	100.510163	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"280911"	369.085802	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"669078"	536.144002	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1278201"	202.027602	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"21859"	371.065006	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"464700"	538.123206	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"845785"	204.006806	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1568179"	204.006806	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"948406"	212.056394	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"361999"	379.114601	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"358164"	393.130251	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1502620"	226.072051	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"970892"	234.038351	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"119068"	202.027602	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"559722"	285.556702	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1029614"	118.498502	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1242996"	245.977085	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1306172"	248.033072	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1320750"	270.015029	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"912175"	280.043786	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1303840"	316.020464	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1379083"	132.045524	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1397674"	150.0555	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"292257"	335.123676	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"682490"	502.181876	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1362126"	168.065476	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"135014"	168.065476	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"577127"	251.594576	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1047750"	84.536376	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"214190"	112.379409333333	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"653752"	168.065476	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1166405"	56.6933426666667	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"428947"	352.150223	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"788484"	519.208423	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1693213"	185.092023	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"343678"	176.5787495	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"732449"	260.1078495	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1488822"	93.0496495	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"401669"	357.105618	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"763759"	524.163818	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1614045"	190.047418	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"325175"	179.056447	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"719429"	262.585547	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1475073"	95.527347	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1065280"	64.0206566666667	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1270358"	200.091686	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"387480"	373.079558	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"747381"	540.137758	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1550891"	206.021358	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"304054"	187.043417	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"695380"	270.572517	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1448103"	103.514317	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"250933"	376.150226	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1224011"	209.092026	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1209113"	105.049651	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"203441"	379.08756	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"642026"	546.14576	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1144567"	212.02936	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"186393"	190.047418	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"624489"	273.576518	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1128600"	106.518318	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1410792"	71.3479706666667	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1436708"	214.070946	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"227496"	195.08044	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1513371"	228.12299	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"421817"	198.034388	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"783546"	281.563488	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1677321"	114.505288	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"258006"	398.132168	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1232902"	231.073968	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1716322"	231.097493	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1183864"	78.6752846666667	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1654850"	236.052888	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"161710"	411.03544	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"598719"	578.09364	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1096722"	243.97724	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"157095"	206.021358	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"594196"	289.550458	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1083817"	122.492258	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1115450"	245.991792	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1351109"	246.079407	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1020726"	250.118576	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1538973"	251.112208	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"1005535"	125.562926	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1601628"	252.026828	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1428139"	282.058338	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1162194"	146.076201	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1712350"	299.084885	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1649097"	304.04028	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1586928"	320.01422	"C03986"	"3-Hydroxy-4-methylanthranilate"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"807453"	305.9389	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M"	0
"975519"	286.92051	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-H2O-H"	-19.01839
"62915"	202.951990666667	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M-3H"	-3.021828
"505509"	304.931624	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M-3H"	-3.021828
"882215"	100.972357333333	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-3H"	-3.021828
"2976"	304.931624	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M-2H"	-2.014552
"445817"	457.901074	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M-2H"	-2.014552
"821431"	151.962174	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-2H"	-2.014552
"90175"	610.870524	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M-H"	-1.007276
"531927"	916.809424	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M-H"	-1.007276
"909735"	304.931624	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-H"	-1.007276
"61804"	627.897071	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M-2H+NH4"	16.019271
"501723"	933.835971	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M-2H+NH4"	16.019271
"878681"	321.958171	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-2H+NH4"	16.019271
"43903"	632.852466	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M-2H+Na"	20.974666
"480182"	938.791366	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M-2H+Na"	20.974666
"859079"	326.913566	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-2H+Na"	20.974666
"1628611"	326.913566	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Na-2H"	20.974666
"104045"	322.919963	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M-H+Cl"	33.962126
"545429"	475.889413	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M-H+Cl"	33.962126
"940399"	169.950513	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-H+Cl"	33.962126
"272395"	646.847202	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+Cl"	34.969402
"663721"	952.786102	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+Cl"	34.969402
"1275396"	340.908302	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Cl"	34.969402
"18689"	648.826406	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M-2H+K"	36.948606
"459343"	954.765306	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M-2H+K"	36.948606
"842615"	342.887506	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-2H+K"	36.948606
"1565009"	342.887506	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+K-2H"	36.948606
"947423"	350.937094	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-H+HCOOH"	44.998194
"362109"	656.876001	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+HCOOH-H"	44.998201
"356815"	670.891651	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+Hac-H"	59.013851
"1502730"	364.952751	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Hac-H"	59.013851
"971002"	372.919051	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-H+NaCOOH"	66.980151
"119178"	340.908302	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+2Cl"	69.938804
"559832"	493.877752	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+2Cl"	69.938804
"1029724"	187.938852	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2Cl"	69.938804
"1244927"	384.857785	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Br"	78.918885
"1306646"	386.913772	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Cl+HCOOH"	80.974872
"1321226"	408.895729	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Cl+NaCOOH"	102.956829
"911556"	418.924486	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M-H+CF3COOH"	112.985586
"1302127"	454.901164	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Cl+CF3COOH"	148.962264
"1376277"	270.926224	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H-2H2O"	-35.012676
"1393773"	288.9362	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H-H2O"	-17.0027
"293459"	612.885076	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+H"	1.007276
"682600"	918.823976	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+H"	1.007276
"1362236"	306.946176	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H"	1.007276
"135124"	306.946176	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+2H"	2.014552
"577964"	459.915626	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+2H"	2.014552
"1047859"	153.976726	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2H"	2.014552
"215757"	204.966542666667	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+3H"	3.021828
"653132"	306.946176	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+3H"	3.021828
"1167608"	102.986909333333	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+3H"	3.021828
"429057"	629.911623	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+NH4"	18.033823
"789322"	935.850523	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+NH4"	18.033823
"1694416"	323.972723	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+NH4"	18.033823
"344152"	315.4594495	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+H+NH4"	19.041099
"732559"	468.4288995	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+H+NH4"	19.041099
"1489660"	162.4899995	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H+NH4"	19.041099
"400686"	634.867018	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+Na"	22.989218
"763869"	940.805918	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+Na"	22.989218
"1614155"	328.928118	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Na"	22.989218
"325285"	317.937147	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+H+Na"	23.996494
"719539"	470.906597	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+H+Na"	23.996494
"1474455"	164.967697	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H+Na"	23.996494
"1066485"	110.314223333333	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2H+Na"	25.00377
"1271318"	338.972386	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+CH3OH+H"	33.033486
"385768"	650.840958	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+K"	38.963158
"746032"	956.779858	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+K"	38.963158
"1548083"	344.902058	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+K"	38.963158
"305257"	325.924117	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+H+K"	39.970434
"696583"	478.893567	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+H+K"	39.970434
"1449306"	172.954667	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H+K"	39.970434
"250437"	653.911626	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+ACN+H"	42.033826
"1223758"	347.972726	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+ACN+H"	42.033826
"1206910"	174.490001	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+ACN+2H"	43.041102
"202209"	656.84896	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+2Na-H"	44.97116
"642862"	962.78786	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+2Na-H"	44.97116
"1145272"	350.91006	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2Na-H"	44.97116
"184673"	328.928118	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+2Na"	45.978436
"619856"	481.897568	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+2Na"	45.978436
"1125551"	175.958668	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2Na"	45.978436
"1403604"	117.641537333333	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H+2Na"	46.985712
"1435721"	352.951646	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H+HCOOH"	47.012746
"223591"	333.96114	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+3H2O+2H"	56.04448
"1513476"	367.00369	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+IsoProp+H"	61.06479
"417547"	336.915088	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+Na+K"	61.952376
"777452"	489.884538	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+Na+K"	61.952376
"1673783"	183.945638	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Na+K"	61.952376
"254833"	675.893568	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+ACN+Na"	64.015768
"1227542"	369.954668	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+ACN+Na"	64.015768
"1713514"	369.978193	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+NH4+HCOOH"	64.039293
"1179596"	124.968851333333	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+3Na"	68.967654
"1656052"	374.933588	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Na+HCOOH"	68.994688
"160724"	688.79684	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+2K-H"	76.91904
"600288"	994.73574	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+2K-H"	76.91904
"1085893"	382.85794	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2K-H"	76.91904
"155474"	344.902058	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"2M+2K"	77.926316
"593211"	497.871508	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"3M+2K"	77.926316
"1078818"	191.932608	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2K"	77.926316
"1114947"	384.872492	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2K+H"	78.933592
"1350238"	384.960107	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+DMSO+H"	79.021207
"1020956"	388.999276	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2ACN+H"	83.060376
"1538715"	389.992908	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+IsoProp+Na+H"	84.054008
"1000425"	195.003276	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+2ACN+2H"	84.067652
"1600396"	390.907528	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+K+HCOOH"	84.968628
"1422775"	420.939038	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+H+CF3COOH"	115.000138
"1159624"	215.516551	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+3ACN+2H"	125.094202
"1704801"	437.965585	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+NH4+CF3COOH"	132.026685
"1642639"	442.92098	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+Na+CF3COOH"	136.98208
"1577196"	458.89492	"C03987"	"3-Iodo-4-hydroxyphenylpyruvate"	"C9H7IO4"	"305.9389"	"M+K+CF3COOH"	152.95602
"807563"	666.2219	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M"	0
"976722"	647.20351	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"63624"	443.140657333333	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"505619"	665.214624	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"882325"	221.066690666667	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"1263"	665.214624	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"445928"	998.325574	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"820448"	332.103674	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"92351"	1331.436524	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"533497"	1997.658424	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"909845"	665.214624	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"62397"	1348.463071	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"501833"	2014.684971	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"879639"	682.241171	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"45470"	1353.418466	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"484667"	2019.640366	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"857004"	687.196566	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1629815"	687.196566	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"106342"	683.202963	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"546996"	1016.313913	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"938323"	350.092013	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"273598"	1367.413202	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"666018"	2033.635102	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1275870"	701.191302	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"16852"	1369.392406	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"459453"	2035.614306	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"843818"	703.170506	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1565119"	703.170506	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"950813"	711.220094	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"362583"	1377.442001	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"357289"	1391.457651	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1502840"	725.235751	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"971112"	733.202051	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"121475"	701.191302	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"559942"	1034.302252	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1029834"	368.080352	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1248319"	745.140785	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1307851"	747.196772	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1322795"	769.178729	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"912760"	779.207486	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1291662"	815.184164	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1379305"	631.209224	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1394977"	649.2192	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"296488"	1333.451076	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"687085"	1999.672976	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1364534"	667.229176	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"137421"	667.229176	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"578443"	1000.340126	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1046876"	334.118226	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"215868"	445.155209333333	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"652149"	667.229176	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1166989"	223.081242666667	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"429167"	1350.477623	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"787244"	2016.699523	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1695254"	684.255723	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"344868"	675.7424495	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"731576"	1008.8533995	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1489406"	342.6314995	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"400796"	1355.433018	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"762886"	2021.654918	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1613172"	689.211118	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"325395"	678.220147	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"722080"	1011.331097	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1476145"	345.109197	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1067931"	230.408556666667	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1272442"	699.255386	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"386240"	1371.406958	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"746141"	2037.628858	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1551474"	705.185058	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"302087"	686.207117	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"696692"	1019.318067	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1448687"	353.096167	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"250545"	1374.477626	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1224837"	708.255726	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1207384"	354.631501	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"202318"	1377.41496	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"643093"	2043.63686	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1142585"	711.19306	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"183688"	689.211118	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"619966"	1022.322068	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1119824"	356.100168	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1402982"	237.735870666667	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1434738"	713.234646	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"223701"	694.24414	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1512493"	727.28669	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"420573"	697.198088	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"783029"	1030.309038	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1673893"	364.087138	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"256036"	1396.459568	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1228746"	730.237668	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1715811"	730.261193	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1180800"	245.063184666667	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1655069"	735.216588	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"159741"	1409.36284	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"599305"	2075.58474	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1085274"	743.14094	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"155585"	705.185058	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"593321"	1038.296008	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1081115"	372.074108	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1115426"	745.155492	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1350469"	745.243107	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1021187"	749.282276	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1538946"	750.275908	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"999441"	375.144776	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1600506"	751.190528	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1422885"	781.222038	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1160827"	395.658051	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1701631"	798.248585	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1639469"	803.20398	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1577306"	819.17792	"C03989"	"Isolychnose;3F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"807673"	376.2977	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M"	0
"975009"	357.27931	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-H2O-H"	-19.01839
"63980"	249.857857333333	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M-3H"	-3.021828
"505728"	375.290424	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M-3H"	-3.021828
"882069"	124.425290666667	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-3H"	-3.021828
"5383"	375.290424	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M-2H"	-2.014552
"443122"	563.439274	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M-2H"	-2.014552
"820558"	187.141574	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-2H"	-2.014552
"90395"	751.588124	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M-H"	-1.007276
"533325"	1127.885824	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M-H"	-1.007276
"911226"	375.290424	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-H"	-1.007276
"62344"	768.614671	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M-2H+NH4"	16.019271
"501336"	1144.912371	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M-2H+NH4"	16.019271
"879263"	392.316971	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-2H+NH4"	16.019271
"45459"	773.570066	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M-2H+Na"	20.974666
"483684"	1149.867766	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M-2H+Na"	20.974666
"858208"	397.272366	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-2H+Na"	20.974666
"1629927"	397.272366	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Na-2H"	20.974666
"108639"	393.278763	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M-H+Cl"	33.962126
"547106"	581.427613	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M-H+Cl"	33.962126
"939524"	205.129913	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-H+Cl"	33.962126
"274801"	787.564802	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+Cl"	34.969402
"672688"	1163.862502	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+Cl"	34.969402
"1277439"	411.267102	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Cl"	34.969402
"17813"	789.544006	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M-2H+K"	36.948606
"462843"	1165.841706	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M-2H+K"	36.948606
"842835"	413.246306	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-2H+K"	36.948606
"1561217"	413.246306	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+K-2H"	36.948606
"943751"	421.295894	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-H+HCOOH"	44.998194
"362814"	797.593601	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+HCOOH-H"	44.998201
"359223"	811.609251	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+Hac-H"	59.013851
"1504043"	435.311551	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Hac-H"	59.013851
"972073"	443.277851	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-H+NaCOOH"	66.980151
"122678"	411.267102	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+2Cl"	69.938804
"560052"	599.415952	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+2Cl"	69.938804
"1032131"	223.118252	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2Cl"	69.938804
"1248429"	455.216585	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Br"	78.918885
"1307597"	457.272572	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Cl+HCOOH"	80.974872
"1323997"	479.254529	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Cl+NaCOOH"	102.956829
"914328"	489.283286	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M-H+CF3COOH"	112.985586
"1292865"	525.259964	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Cl+CF3COOH"	148.962264
"1380508"	341.285024	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H-2H2O"	-35.012676
"1395087"	359.295	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H-H2O"	-17.0027
"298301"	753.602676	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+H"	1.007276
"685009"	1129.900376	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+H"	1.007276
"1358080"	377.304976	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H"	1.007276
"135344"	377.304976	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+2H"	2.014552
"576727"	565.453826	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+2H"	2.014552
"1046986"	189.156126	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2H"	2.014552
"212697"	251.872409333333	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+3H"	3.021828
"651166"	377.304976	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+3H"	3.021828
"1166371"	126.439842666667	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+3H"	3.021828
"427090"	770.629223	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+NH4"	18.033823
"788085"	1146.926923	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+NH4"	18.033823
"1692082"	394.331523	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+NH4"	18.033823
"342183"	385.8182495	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+H+NH4"	19.041099
"728405"	573.9670995	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+H+NH4"	19.041099
"1486600"	197.6693995	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H+NH4"	19.041099
"400906"	775.584618	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+Na"	22.989218
"760809"	1151.882318	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+Na"	22.989218
"1612188"	399.286918	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Na"	22.989218
"323318"	388.295947	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+H+Na"	23.996494
"722680"	576.444797	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+H+Na"	23.996494
"1477004"	200.147097	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H+Na"	23.996494
"1068391"	133.767156666667	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2H+Na"	25.00377
"1272268"	409.331186	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+CH3OH+H"	33.033486
"389627"	791.558558	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+K"	38.963158
"748436"	1167.856258	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+K"	38.963158
"1551585"	415.260858	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+K"	38.963158
"307665"	396.282917	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+H+K"	39.970434
"697895"	584.431767	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+H+K"	39.970434
"1452076"	208.134067	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H+K"	39.970434
"250533"	794.629226	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+ACN+H"	42.033826
"1224464"	418.331526	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+ACN+H"	42.033826
"1207131"	209.669401	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+ACN+2H"	43.041102
"203279"	797.56656	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+2Na-H"	44.97116
"643931"	1173.86426	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+2Na-H"	44.97116
"1145975"	421.26886	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2Na-H"	44.97116
"185985"	399.286918	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+2Na"	45.978436
"624452"	587.435768	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+2Na"	45.978436
"1123581"	211.138068	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2Na"	45.978436
"1403822"	141.094470666667	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H+2Na"	46.985712
"1437035"	423.310446	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H+HCOOH"	47.012746
"224904"	404.31994	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+3H2O+2H"	56.04448
"1514061"	437.36249	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+IsoProp+H"	61.06479
"423238"	407.273888	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+Na+K"	61.952376
"783140"	595.422738	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+Na+K"	61.952376
"1671818"	219.125038	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Na+K"	61.952376
"258333"	816.611168	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+ACN+Na"	64.015768
"1231042"	440.313468	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+ACN+Na"	64.015768
"1717742"	440.336993	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+NH4+HCOOH"	64.039293
"1183096"	148.421784666667	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+3Na"	68.967654
"1654083"	445.292388	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Na+HCOOH"	68.994688
"159849"	829.51444	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+2K-H"	76.91904
"602698"	1205.81214	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+2K-H"	76.91904
"1088301"	453.21674	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2K-H"	76.91904
"155694"	415.260858	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"2M+2K"	77.926316
"593431"	603.409708	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"3M+2K"	77.926316
"1079038"	227.112008	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2K"	77.926316
"1114807"	455.231292	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2K+H"	78.933592
"1349730"	455.318907	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+DMSO+H"	79.021207
"1020203"	459.358076	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2ACN+H"	83.060376
"1538327"	460.351708	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+IsoProp+Na+H"	84.054008
"995177"	230.182676	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+2ACN+2H"	84.067652
"1600616"	461.266328	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+K+HCOOH"	84.968628
"1422995"	491.297838	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+H+CF3COOH"	115.000138
"1160937"	250.695951	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+3ACN+2H"	125.094202
"1701741"	508.324385	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+NH4+CF3COOH"	132.026685
"1639579"	513.27978	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+Na+CF3COOH"	136.98208
"1577416"	529.25372	"C03990"	"Lithocholic acid;Lithocholate;3alpha-Hydroxy-5beta-cholanate;3alpha-Hydroxy-5beta-cholanic acid"	"C24H40O3"	"376.2977"	"M+K+CF3COOH"	152.95602
"807783"	300.0845	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M"	0
"978036"	281.06611	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-H2O-H"	-19.01839
"66276"	199.049057333333	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M-3H"	-3.021828
"505110"	299.077224	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M-3H"	-3.021828
"884731"	99.0208906666667	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-3H"	-3.021828
"1119"	299.077224	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M-2H"	-2.014552
"443232"	449.119474	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M-2H"	-2.014552
"818845"	149.034974	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-2H"	-2.014552
"90505"	599.161724	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M-H"	-1.007276
"532866"	899.246224	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M-H"	-1.007276
"908965"	299.077224	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-H"	-1.007276
"62127"	616.188271	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M-2H+NH4"	16.019271
"500715"	916.272771	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M-2H+NH4"	16.019271
"879541"	316.103771	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-2H+NH4"	16.019271
"44963"	621.143666	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M-2H+Na"	20.974666
"484889"	921.228166	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M-2H+Na"	20.974666
"863623"	321.059166	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-2H+Na"	20.974666
"1631130"	321.059166	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Na-2H"	20.974666
"104378"	317.065563	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M-H+Cl"	33.962126
"547216"	467.107813	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M-H+Cl"	33.962126
"938542"	167.023313	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-H+Cl"	33.962126
"273818"	635.138402	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+Cl"	34.969402
"671705"	935.222902	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+Cl"	34.969402
"1276091"	335.053902	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Cl"	34.969402
"19383"	637.117606	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M-2H+K"	36.948606
"462953"	937.202106	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M-2H+K"	36.948606
"842944"	337.033106	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-2H+K"	36.948606
"1561327"	337.033106	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+K-2H"	36.948606
"943497"	345.082694	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-H+HCOOH"	44.998194
"363778"	645.167201	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+HCOOH-H"	44.998201
"357510"	659.182851	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+Hac-H"	59.013851
"1506341"	359.098351	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Hac-H"	59.013851
"971332"	367.064651	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-H+NaCOOH"	66.980151
"120967"	335.053902	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+2Cl"	69.938804
"557975"	485.096152	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+2Cl"	69.938804
"1026774"	185.011652	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2Cl"	69.938804
"1247446"	379.003385	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Br"	78.918885
"1307707"	381.059372	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Cl+HCOOH"	80.974872
"1320828"	403.041329	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Cl+NaCOOH"	102.956829
"914076"	413.070086	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M-H+CF3COOH"	112.985586
"1292246"	449.046764	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Cl+CF3COOH"	148.962264
"1377700"	265.071824	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H-2H2O"	-35.012676
"1394104"	283.0818	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H-H2O"	-17.0027
"298291"	601.176276	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+H"	1.007276
"688399"	901.260776	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+H"	1.007276
"1364024"	301.091776	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H"	1.007276
"138372"	301.091776	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+2H"	2.014552
"579391"	451.134026	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+2H"	2.014552
"1047825"	151.049526	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2H"	2.014552
"216088"	201.063609333333	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+3H"	3.021828
"652369"	301.091776	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+3H"	3.021828
"1165753"	101.035442666667	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+3H"	3.021828
"426472"	618.202823	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+NH4"	18.033823
"786737"	918.287323	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+NH4"	18.033823
"1692922"	318.118323	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+NH4"	18.033823
"344116"	309.6050495	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+H+NH4"	19.041099
"736536"	459.6472995	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+H+NH4"	19.041099
"1489625"	159.5627995	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H+NH4"	19.041099
"404296"	623.158218	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+Na"	22.989218
"765293"	923.242718	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+Na"	22.989218
"1612299"	323.073718	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Na"	22.989218
"327075"	312.082747	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+H+Na"	23.996494
"721085"	462.124997	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+H+Na"	23.996494
"1476734"	162.040497	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H+Na"	23.996494
"1068388"	108.362756666667	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2H+Na"	25.00377
"1272139"	333.117986	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+CH3OH+H"	33.033486
"392756"	639.132158	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+K"	38.963158
"752919"	939.216658	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+K"	38.963158
"1554897"	339.047658	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+K"	38.963158
"309962"	320.069717	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+H+K"	39.970434
"700195"	470.111967	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+H+K"	39.970434
"1449638"	170.027467	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H+K"	39.970434
"250520"	642.202826	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+ACN+H"	42.033826
"1224086"	342.118326	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+ACN+H"	42.033826
"1208336"	171.562801	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+ACN+2H"	43.041102
"201569"	645.14016	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+2Na-H"	44.97116
"642586"	945.22466	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+2Na-H"	44.97116
"1146817"	345.05566	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2Na-H"	44.97116
"183909"	323.073718	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+2Na"	45.978436
"623468"	473.115968	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+2Na"	45.978436
"1121505"	173.031468	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2Na"	45.978436
"1401381"	115.690070666667	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H+2Na"	46.985712
"1437145"	347.097246	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H+HCOOH"	47.012746
"223921"	328.10674	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+3H2O+2H"	56.04448
"1513078"	361.14929	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+IsoProp+H"	61.06479
"423830"	331.060688	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+Na+K"	61.952376
"783981"	481.102938	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+Na+K"	61.952376
"1677392"	181.018438	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Na+K"	61.952376
"263547"	664.184768	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+ACN+Na"	64.015768
"1236621"	364.100268	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+ACN+Na"	64.015768
"1720040"	364.123793	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+NH4+HCOOH"	64.039293
"1185394"	123.017384666667	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+3Na"	68.967654
"1656382"	369.079188	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Na+HCOOH"	68.994688
"164336"	677.08804	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+2K-H"	76.91904
"602808"	977.17254	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+2K-H"	76.91904
"1089504"	377.00354	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2K-H"	76.91904
"146323"	339.047658	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"2M+2K"	77.926316
"596338"	489.089908	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"3M+2K"	77.926316
"1081335"	189.005408	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2K"	77.926316
"1115040"	379.018092	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2K+H"	78.933592
"1350934"	379.105707	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+DMSO+H"	79.021207
"1020313"	383.144876	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2ACN+H"	83.060376
"1539045"	384.138508	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+IsoProp+Na+H"	84.054008
"998567"	192.076076	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+2ACN+2H"	84.067652
"1598539"	385.053128	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+K+HCOOH"	84.968628
"1424198"	415.084638	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+H+CF3COOH"	115.000138
"1161047"	212.589351	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+3ACN+2H"	125.094202
"1699664"	432.111185	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+NH4+CF3COOH"	132.026685
"1639689"	437.06658	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+Na+CF3COOH"	136.98208
"1577526"	453.04052	"C03993"	"4-(beta-D-Glucosyloxy)benzoate;4-Hydroxybenzoate-O-glucoside"	"C13H16O8"	"300.0845"	"M+K+CF3COOH"	152.95602
"807893"	138.0793	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M"	0
"974262"	119.06091	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-H2O-H"	-19.01839
"63142"	91.0455906666667	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M-3H"	-3.021828
"505948"	137.072024	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M-3H"	-3.021828
"880044"	45.0191573333333	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-3H"	-3.021828
"2317"	137.072024	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M-2H"	-2.014552
"440789"	206.111674	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M-2H"	-2.014552
"818588"	68.032374	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-2H"	-2.014552
"82961"	275.151324	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M-H"	-1.007276
"532368"	413.230624	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M-H"	-1.007276
"909073"	137.072024	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-H"	-1.007276
"61992"	292.177871	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M-2H+NH4"	16.019271
"502288"	430.257171	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M-2H+NH4"	16.019271
"879486"	154.098571	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-2H+NH4"	16.019271
"46655"	297.133266	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M-2H+Na"	20.974666
"484999"	435.212566	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M-2H+Na"	20.974666
"861706"	159.053966	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-2H+Na"	20.974666
"1631240"	159.053966	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Na-2H"	20.974666
"107766"	155.060363	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M-H+Cl"	33.962126
"545140"	224.100013	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M-H+Cl"	33.962126
"939746"	86.020713	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-H+Cl"	33.962126
"272835"	311.128002	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+Cl"	34.969402
"666348"	449.207302	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+Cl"	34.969402
"1275473"	173.048702	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Cl"	34.969402
"17306"	313.107206	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M-2H+K"	36.948606
"463063"	451.186506	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M-2H+K"	36.948606
"843054"	175.027906	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-2H+K"	36.948606
"1561073"	175.027906	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+K-2H"	36.948606
"943852"	183.077494	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-H+HCOOH"	44.998194
"361578"	321.156801	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+HCOOH-H"	44.998201
"359078"	335.172451	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+Hac-H"	59.013851
"1504993"	197.093151	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Hac-H"	59.013851
"970713"	205.059451	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-H+NaCOOH"	66.980151
"122170"	173.048702	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+2Cl"	69.938804
"556992"	242.088352	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+2Cl"	69.938804
"1029072"	104.009052	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2Cl"	69.938804
"1246463"	216.998185	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Br"	78.918885
"1305630"	219.054172	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Cl+HCOOH"	80.974872
"1320572"	241.036129	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Cl+NaCOOH"	102.956829
"913092"	251.064886	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M-H+CF3COOH"	112.985586
"1292356"	287.041564	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Cl+CF3COOH"	148.962264
"1375622"	103.066624	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H-2H2O"	-35.012676
"1394581"	121.0766	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H-H2O"	-17.0027
"298540"	277.165876	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+H"	1.007276
"685229"	415.245176	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+H"	1.007276
"1364134"	139.086576	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H"	1.007276
"135562"	139.086576	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+2H"	2.014552
"578043"	208.126226	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+2H"	2.014552
"1050488"	70.046926	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2H"	2.014552
"216199"	93.0601426666667	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+3H"	3.021828
"654665"	139.086576	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+3H"	3.021828
"1165863"	47.0337093333333	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+3H"	3.021828
"426218"	294.192423	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+NH4"	18.033823
"789034"	432.271723	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+NH4"	18.033823
"1695223"	156.113123	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+NH4"	18.033823
"344226"	147.5998495	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+H+NH4"	19.041099
"735916"	216.6394995	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+H+NH4"	19.041099
"1487913"	78.5601995	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H+NH4"	19.041099
"403313"	299.147818	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+Na"	22.989218
"762123"	437.227118	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+Na"	22.989218
"1613502"	161.068518	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Na"	22.989218
"325727"	150.077547	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+H+Na"	23.996494
"717062"	219.117197	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+H+Na"	23.996494
"1477014"	81.037897	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H+Na"	23.996494
"1068219"	54.3610233333333	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2H+Na"	25.00377
"1271151"	171.112786	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+CH3OH+H"	33.033486
"390580"	315.121758	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+K"	38.963158
"751936"	453.201058	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+K"	38.963158
"1553628"	177.042458	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+K"	38.963158
"310072"	158.064517	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+H+K"	39.970434
"697025"	227.104167	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+H+K"	39.970434
"1449750"	89.024867	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H+K"	39.970434
"249293"	318.192426	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+ACN+H"	42.033826
"1223833"	180.113126	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+ACN+H"	42.033826
"1208082"	90.560201	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+ACN+2H"	43.041102
"203131"	321.12976	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+2Na-H"	44.97116
"641232"	459.20906	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+2Na-H"	44.97116
"1141821"	183.05046	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2Na-H"	44.97116
"180738"	161.068518	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+2Na"	45.978436
"620296"	230.108168	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+2Na"	45.978436
"1121615"	92.028868	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2Na"	45.978436
"1402582"	61.6883373333333	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H+2Na"	46.985712
"1432880"	185.092046	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H+HCOOH"	47.012746
"221843"	166.10154	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+3H2O+2H"	56.04448
"1512824"	199.14409	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+IsoProp+H"	61.06479
"423089"	169.055488	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+Na+K"	61.952376
"785181"	238.095138	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+Na+K"	61.952376
"1679691"	100.015838	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Na+K"	61.952376
"262930"	340.174368	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+ACN+Na"	64.015768
"1234546"	202.095068	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+ACN+Na"	64.015768
"1722339"	202.118593	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+NH4+HCOOH"	64.039293
"1188787"	69.0156513333333	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+3Na"	68.967654
"1661959"	207.073988	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Na+HCOOH"	68.994688
"165541"	353.07764	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+2K-H"	76.91904
"602918"	491.15694	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+2K-H"	76.91904
"1087426"	214.99834	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2K-H"	76.91904
"145340"	177.042458	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"2M+2K"	77.926316
"597011"	246.082108	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"3M+2K"	77.926316
"1083877"	108.002808	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2K"	77.926316
"1115392"	217.012892	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2K+H"	78.933592
"1350801"	217.100507	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+DMSO+H"	79.021207
"1019569"	221.139676	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2ACN+H"	83.060376
"1538426"	222.133308	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+IsoProp+Na+H"	84.054008
"997584"	111.073476	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+2ACN+2H"	84.067652
"1600836"	223.047928	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+K+HCOOH"	84.968628
"1424308"	253.079438	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+H+CF3COOH"	115.000138
"1160064"	131.586751	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+3ACN+2H"	125.094202
"1699774"	270.105985	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+NH4+CF3COOH"	132.026685
"1639799"	275.06138	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+Na+CF3COOH"	136.98208
"1577636"	291.03532	"C03994"	"4-Hydroxymethylphenylhydrazine"	"C7H10N2O"	"138.0793"	"M+K+CF3COOH"	152.95602
"808003"	296.1008	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M"	0
"976068"	277.08241	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-H2O-H"	-19.01839
"63579"	196.393257333333	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M-3H"	-3.021828
"508244"	295.093524	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M-3H"	-3.021828
"880288"	97.6929906666667	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-3H"	-3.021828
"2428"	295.093524	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M-2H"	-2.014552
"441260"	443.143924	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M-2H"	-2.014552
"819791"	147.043124	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-2H"	-2.014552
"85254"	591.194324	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M-H"	-1.007276
"532965"	887.295124	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M-H"	-1.007276
"908820"	295.093524	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-H"	-1.007276
"58090"	608.220871	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M-2H+NH4"	16.019271
"501667"	904.321671	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M-2H+NH4"	16.019271
"879228"	312.120071	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-2H+NH4"	16.019271
"46035"	613.176266	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M-2H+Na"	20.974666
"486447"	909.277066	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M-2H+Na"	20.974666
"862787"	317.075466	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-2H+Na"	20.974666
"1633294"	317.075466	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Na-2H"	20.974666
"106782"	313.081863	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M-H+Cl"	33.962126
"545249"	461.132263	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M-H+Cl"	33.962126
"935483"	165.031463	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-H+Cl"	33.962126
"271852"	627.171002	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+Cl"	34.969402
"665365"	923.271802	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+Cl"	34.969402
"1275583"	331.070202	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Cl"	34.969402
"19239"	629.150206	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M-2H+K"	36.948606
"463173"	925.251006	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M-2H+K"	36.948606
"845352"	333.049406	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-2H+K"	36.948606
"1561183"	333.049406	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+K-2H"	36.948606
"943716"	341.098994	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-H+HCOOH"	44.998194
"361615"	637.199801	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+HCOOH-H"	44.998201
"353354"	651.215451	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+Hac-H"	59.013851
"1503645"	355.114651	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Hac-H"	59.013851
"971552"	363.080951	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-H+NaCOOH"	66.980151
"119728"	331.070202	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+2Cl"	69.938804
"557102"	479.120602	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+2Cl"	69.938804
"1029182"	183.019802	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2Cl"	69.938804
"1247666"	375.019685	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Br"	78.918885
"1307926"	377.075672	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Cl+HCOOH"	80.974872
"1320681"	399.057629	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Cl+NaCOOH"	102.956829
"914296"	409.086386	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M-H+CF3COOH"	112.985586
"1291373"	445.063064	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Cl+CF3COOH"	148.962264
"1370264"	261.088124	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H-2H2O"	-35.012676
"1396146"	279.0981	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H-H2O"	-17.0027
"298025"	593.208876	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+H"	1.007276
"687161"	889.309676	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+H"	1.007276
"1364608"	297.108076	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H"	1.007276
"136765"	297.108076	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+2H"	2.014552
"568670"	445.158476	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+2H"	2.014552
"1039656"	149.057676	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2H"	2.014552
"213026"	198.407809333333	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+3H"	3.021828
"647847"	297.108076	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+3H"	3.021828
"1164880"	99.7075426666667	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+3H"	3.021828
"426693"	610.235423	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+NH4"	18.033823
"787687"	906.336223	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+NH4"	18.033823
"1695332"	314.134623	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+NH4"	18.033823
"343244"	305.6213495	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+H+NH4"	19.041099
"734933"	453.6717495	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+H+NH4"	19.041099
"1488022"	157.5709495	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H+NH4"	19.041099
"403423"	615.190818	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+Na"	22.989218
"765513"	911.291618	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+Na"	22.989218
"1613977"	319.090018	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Na"	22.989218
"324015"	308.099047	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+H+Na"	23.996494
"716078"	456.149447	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+H+Na"	23.996494
"1475980"	160.048647	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H+Na"	23.996494
"1065332"	107.034856666667	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2H+Na"	25.00377
"1271019"	329.134286	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+CH3OH+H"	33.033486
"390690"	631.164758	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+K"	38.963158
"752046"	927.265558	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+K"	38.963158
"1554468"	335.063958	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+K"	38.963158
"309818"	316.086017	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+H+K"	39.970434
"694949"	464.136417	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+H+K"	39.970434
"1451316"	168.035617	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H+K"	39.970434
"250011"	634.235426	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+ACN+H"	42.033826
"1223576"	338.134626	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+ACN+H"	42.033826
"1207097"	169.570951	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+ACN+2H"	43.041102
"203121"	637.17276	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+2Na-H"	44.97116
"641342"	933.27356	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+2Na-H"	44.97116
"1143024"	341.07196	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2Na-H"	44.97116
"183034"	319.090018	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+2Na"	45.978436
"619313"	467.140418	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+2Na"	45.978436
"1123911"	171.039618	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2Na"	45.978436
"1403786"	114.362170666667	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H+2Na"	46.985712
"1434083"	343.113546	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H+HCOOH"	47.012746
"223045"	324.12304	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+3H2O+2H"	56.04448
"1512934"	357.16559	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+IsoProp+H"	61.06479
"422471"	327.076988	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+Na+K"	61.952376
"785050"	475.127388	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+Na+K"	61.952376
"1679803"	179.026588	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Na+K"	61.952376
"263040"	656.217368	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+ACN+Na"	64.015768
"1237936"	360.116568	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+ACN+Na"	64.015768
"1724636"	360.140093	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+NH4+HCOOH"	64.039293
"1192177"	121.689484666667	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+3Na"	68.967654
"1662069"	365.095488	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Na+HCOOH"	68.994688
"170025"	669.12064	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+2K-H"	76.91904
"603028"	965.22144	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+2K-H"	76.91904
"1087901"	373.01984	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2K-H"	76.91904
"145450"	335.063958	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"2M+2K"	77.926316
"596845"	483.114358	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"3M+2K"	77.926316
"1081555"	187.013558	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2K"	77.926316
"1113308"	375.034392	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2K+H"	78.933592
"1349937"	375.122007	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+DMSO+H"	79.021207
"1019437"	379.161176	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2ACN+H"	83.060376
"1539767"	380.154808	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+IsoProp+Na+H"	84.054008
"995507"	190.084226	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+2ACN+2H"	84.067652
"1599852"	381.069428	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+K+HCOOH"	84.968628
"1421138"	411.100938	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+H+CF3COOH"	115.000138
"1157987"	210.597501	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+3ACN+2H"	125.094202
"1698791"	428.127485	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+NH4+CF3COOH"	132.026685
"1639909"	433.08288	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+Na+CF3COOH"	136.98208
"1577746"	449.05682	"C03995"	"4-Nitrophenyl-3-ketovalidamine;p-Nitrophenyl-3-ketovalidamine;N-(4-Nitrophenyl)-3-ketovalidamine"	"C13H16N2O6"	"296.1008"	"M+K+CF3COOH"	152.95602
"808113"	331.1267	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M"	0
"977272"	312.10831	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-H2O-H"	-19.01839
"65512"	219.743857333333	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M-3H"	-3.021828
"506166"	330.119424	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M-3H"	-3.021828
"882873"	109.368290666667	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-3H"	-3.021828
"2175"	330.119424	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M-2H"	-2.014552
"442829"	495.682774	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M-2H"	-2.014552
"818929"	164.556074	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-2H"	-2.014552
"84634"	661.246124	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M-H"	-1.007276
"530399"	992.372824	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M-H"	-1.007276
"907107"	330.119424	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-H"	-1.007276
"59293"	678.272671	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M-2H+NH4"	16.019271
"499830"	1009.399371	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M-2H+NH4"	16.019271
"878609"	347.145971	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-2H+NH4"	16.019271
"44199"	683.228066	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M-2H+Na"	20.974666
"484125"	1014.354766	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M-2H+Na"	20.974666
"859739"	352.101366	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-2H+Na"	20.974666
"1630366"	352.101366	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Na-2H"	20.974666
"104705"	348.107763	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M-H+Cl"	33.962126
"547424"	513.671113	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M-H+Cl"	33.962126
"937779"	182.544413	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-H+Cl"	33.962126
"271962"	697.222802	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+Cl"	34.969402
"665475"	1028.349502	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+Cl"	34.969402
"1273991"	366.096102	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Cl"	34.969402
"22629"	699.202006	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M-2H+K"	36.948606
"460003"	1030.328706	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M-2H+K"	36.948606
"845461"	368.075306	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-2H+K"	36.948606
"1561293"	368.075306	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+K-2H"	36.948606
"943705"	376.124894	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-H+HCOOH"	44.998194
"361712"	707.251601	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+HCOOH-H"	44.998201
"354557"	721.267251	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+Hac-H"	59.013851
"1497922"	390.140551	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Hac-H"	59.013851
"967651"	398.106851	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-H+NaCOOH"	66.980151
"113277"	366.096102	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+2Cl"	69.938804
"552837"	531.659452	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+2Cl"	69.938804
"1023094"	200.532752	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2Cl"	69.938804
"1243401"	410.045585	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Br"	78.918885
"1308035"	412.101572	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Cl+HCOOH"	80.974872
"1321521"	434.083529	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Cl+NaCOOH"	102.956829
"913677"	444.112286	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M-H+CF3COOH"	112.985586
"1294399"	480.088964	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Cl+CF3COOH"	148.962264
"1373654"	296.114024	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H-2H2O"	-35.012676
"1394434"	314.124	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H-H2O"	-17.0027
"298179"	663.260676	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+H"	1.007276
"688002"	994.387376	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+H"	1.007276
"1360706"	332.133976	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H"	1.007276
"137240"	332.133976	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+2H"	2.014552
"568049"	497.697326	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+2H"	2.014552
"1040860"	166.570626	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2H"	2.014552
"208761"	221.758409333333	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+3H"	3.021828
"648319"	332.133976	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+3H"	3.021828
"1166808"	111.382842666667	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+3H"	3.021828
"427896"	680.287223	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+NH4"	18.033823
"788890"	1011.413923	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+NH4"	18.033823
"1695075"	349.160523	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+NH4"	18.033823
"343353"	340.6472495	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+H+NH4"	19.041099
"736502"	506.2105995	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+H+NH4"	19.041099
"1489954"	175.0838995	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H+NH4"	19.041099
"404263"	685.242618	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+Na"	22.989218
"765624"	1016.369318	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+Na"	22.989218
"1612630"	354.115918	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Na"	22.989218
"323396"	343.124947	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+H+Na"	23.996494
"716188"	508.688297	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+H+Na"	23.996494
"1476581"	177.561597	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H+Na"	23.996494
"1067386"	118.710156666667	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2H+Na"	25.00377
"1271859"	364.160186	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+CH3OH+H"	33.033486
"390798"	701.216558	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+K"	38.963158
"751791"	1032.343258	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+K"	38.963158
"1552020"	370.089858	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+K"	38.963158
"312480"	351.111917	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+H+K"	39.970434
"700526"	516.675267	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+H+K"	39.970434
"1451791"	185.548567	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H+K"	39.970434
"249149"	704.287226	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+ACN+H"	42.033826
"1223322"	373.160526	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+ACN+H"	42.033826
"1206841"	187.083901	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+ACN+2H"	43.041102
"201529"	707.22456	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+2Na-H"	44.97116
"639994"	1038.35126	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+2Na-H"	44.97116
"1143500"	376.09786	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2Na-H"	44.97116
"184966"	354.115918	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+2Na"	45.978436
"619423"	519.679268	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+2Na"	45.978436
"1120740"	188.552568	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2Na"	45.978436
"1404261"	126.037470666667	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H+2Na"	46.985712
"1437473"	378.139446	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H+HCOOH"	47.012746
"223519"	359.14894	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+3H2O+2H"	56.04448
"1511950"	392.19149	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+IsoProp+H"	61.06479
"421855"	362.102888	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+Na+K"	61.952376
"784310"	527.666238	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+Na+K"	61.952376
"1676996"	196.539538	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Na+K"	61.952376
"262422"	726.269168	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+ACN+Na"	64.015768
"1237683"	395.142468	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+ACN+Na"	64.015768
"1726570"	395.165993	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+NH4+HCOOH"	64.039293
"1193627"	133.364784666667	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+3Na"	68.967654
"1664245"	400.121388	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Na+HCOOH"	68.994688
"171716"	739.17244	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+2K-H"	76.91904
"603138"	1070.29914	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+2K-H"	76.91904
"1086920"	408.04574	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2K-H"	76.91904
"146653"	370.089858	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"2M+2K"	77.926316
"596874"	535.653208	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"3M+2K"	77.926316
"1083368"	204.526508	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2K"	77.926316
"1114390"	410.060292	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2K+H"	78.933592
"1349075"	410.147907	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+DMSO+H"	79.021207
"1018576"	414.187076	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2ACN+H"	83.060376
"1538646"	415.180708	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+IsoProp+Na+H"	84.054008
"998897"	207.597176	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+2ACN+2H"	84.067652
"1601056"	416.095328	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+K+HCOOH"	84.968628
"1421248"	446.126838	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+H+CF3COOH"	115.000138
"1157004"	228.110451	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+3ACN+2H"	125.094202
"1699265"	463.153385	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+NH4+CF3COOH"	132.026685
"1640019"	468.10878	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+Na+CF3COOH"	136.98208
"1577856"	484.08272	"C03996"	"5-O-beta-D-Glucosylpyridoxine"	"C14H21NO8"	"331.1267"	"M+K+CF3COOH"	152.95602
"808223"	337.0675	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M"	0
"977382"	318.04911	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-H2O-H"	-19.01839
"64162"	223.704390666667	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M-3H"	-3.021828
"504816"	336.060224	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M-3H"	-3.021828
"880431"	111.348557333333	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-3H"	-3.021828
"109"	336.060224	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M-2H"	-2.014552
"440752"	504.593974	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M-2H"	-2.014552
"817824"	167.526474	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-2H"	-2.014552
"80007"	673.127724	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M-H"	-1.007276
"529416"	1010.195224	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M-H"	-1.007276
"906124"	336.060224	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-H"	-1.007276
"57217"	690.154271	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M-2H+NH4"	16.019271
"497869"	1027.221771	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M-2H+NH4"	16.019271
"874576"	353.086771	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-2H+NH4"	16.019271
"42485"	695.109666	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M-2H+Na"	20.974666
"486385"	1032.177166	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M-2H+Na"	20.974666
"862035"	358.042166	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-2H+Na"	20.974666
"1631569"	358.042166	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Na-2H"	20.974666
"104815"	354.048563	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M-H+Cl"	33.962126
"547655"	522.582313	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M-H+Cl"	33.962126
"936796"	185.514813	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-H+Cl"	33.962126
"272072"	709.104402	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+Cl"	34.969402
"662669"	1046.171902	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+Cl"	34.969402
"1273371"	372.036902	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Cl"	34.969402
"22739"	711.083606	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M-2H+K"	36.948606
"460113"	1048.151106	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M-2H+K"	36.948606
"846300"	374.016106	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-2H+K"	36.948606
"1561403"	374.016106	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+K-2H"	36.948606
"943084"	382.065694	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-H+HCOOH"	44.998194
"361896"	719.133201	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+HCOOH-H"	44.998201
"353574"	733.148851	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+Hac-H"	59.013851
"1498032"	396.081351	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Hac-H"	59.013851
"967761"	404.047651	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-H+NaCOOH"	66.980151
"114480"	372.036902	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+2Cl"	69.938804
"552947"	540.570652	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+2Cl"	69.938804
"1022840"	203.503152	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2Cl"	69.938804
"1241810"	415.986385	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Br"	78.918885
"1308145"	418.042372	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Cl+HCOOH"	80.974872
"1321265"	440.024329	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Cl+NaCOOH"	102.956829
"912694"	450.053086	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M-H+CF3COOH"	112.985586
"1293416"	486.029764	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Cl+CF3COOH"	148.962264
"1371210"	302.054824	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H-2H2O"	-35.012676
"1389075"	320.0648	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H-H2O"	-17.0027
"298003"	675.142276	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+H"	1.007276
"687748"	1012.209776	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+H"	1.007276
"1361182"	338.074776	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H"	1.007276
"136622"	338.074776	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+2H"	2.014552
"567431"	506.608526	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+2H"	2.014552
"1041334"	169.541026	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2H"	2.014552
"208871"	225.718942666667	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+3H"	3.021828
"647336"	338.074776	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+3H"	3.021828
"1165461"	113.363109333333	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+3H"	3.021828
"427271"	692.168823	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+NH4"	18.033823
"786561"	1029.236323	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+NH4"	18.033823
"1689343"	355.101323	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+NH4"	18.033823
"341640"	346.5880495	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+H+NH4"	19.041099
"736611"	515.1217995	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+H+NH4"	19.041099
"1490793"	178.0542995	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H+NH4"	19.041099
"400361"	697.124218	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+Na"	22.989218
"763547"	1034.191718	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+Na"	22.989218
"1610553"	360.056718	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Na"	22.989218
"323869"	349.065747	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+H+Na"	23.996494
"716298"	517.599497	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+H+Na"	23.996494
"1476440"	180.531997	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H+Na"	23.996494
"1067374"	120.690423333333	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2H+Na"	25.00377
"1272419"	370.100986	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+CH3OH+H"	33.033486
"392001"	713.098158	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+K"	38.963158
"754013"	1050.165658	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+K"	38.963158
"1547757"	376.030658	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+K"	38.963158
"313928"	357.052717	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+H+K"	39.970434
"703916"	525.586467	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+H+K"	39.970434
"1450444"	188.518967	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H+K"	39.970434
"248530"	716.168826	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+ACN+H"	42.033826
"1223796"	379.101326	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+ACN+H"	42.033826
"1208773"	190.054301	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+ACN+2H"	43.041102
"201274"	719.10616	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+2Na-H"	44.97116
"638646"	1056.17366	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+2Na-H"	44.97116
"1143974"	382.03866	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2Na-H"	44.97116
"183983"	360.056718	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+2Na"	45.978436
"619533"	528.590468	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+2Na"	45.978436
"1121943"	191.522968	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2Na"	45.978436
"1402185"	128.017737333333	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H+2Na"	46.985712
"1436490"	384.080246	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H+HCOOH"	47.012746
"222901"	365.08974	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+3H2O+2H"	56.04448
"1514246"	398.13229	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+IsoProp+H"	61.06479
"419406"	368.043688	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+Na+K"	61.952376
"784785"	536.577438	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+Na+K"	61.952376
"1676376"	199.509938	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Na+K"	61.952376
"261801"	738.150768	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+ACN+Na"	64.015768
"1233418"	401.083268	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+ACN+Na"	64.015768
"1723764"	401.106793	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+NH4+HCOOH"	64.039293
"1191305"	135.345051333333	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+3Na"	68.967654
"1663384"	406.062188	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Na+HCOOH"	68.994688
"171825"	751.05404	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+2K-H"	76.91904
"603608"	1088.12154	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+2K-H"	76.91904
"1089943"	413.98654	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2K-H"	76.91904
"148950"	376.030658	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"2M+2K"	77.926316
"592885"	544.564408	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"3M+2K"	77.926316
"1083478"	207.496908	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2K"	77.926316
"1112796"	416.001092	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2K+H"	78.933592
"1348090"	416.088707	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+DMSO+H"	79.021207
"1020630"	420.127876	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2ACN+H"	83.060376
"1538513"	421.121508	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+IsoProp+Na+H"	84.054008
"999007"	210.567576	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+2ACN+2H"	84.067652
"1601653"	422.036128	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+K+HCOOH"	84.968628
"1421358"	452.067638	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+H+CF3COOH"	115.000138
"1157114"	231.080851	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+3ACN+2H"	125.094202
"1699011"	469.094185	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+NH4+CF3COOH"	132.026685
"1640129"	474.04958	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+Na+CF3COOH"	136.98208
"1577966"	490.02352	"C03997"	"5-Hydroxymethyldeoxycytidylate;5-Hydroxymethyldeoxycytidylic acid;2-Deoxy-5-hydroxymethylcytidine 5-phosphate"	"C10H16N3O8P"	"337.0675"	"M+K+CF3COOH"	152.95602
"808333"	378.0815	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M"	0
"975306"	359.06311	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-H2O-H"	-19.01839
"66826"	251.047057333333	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M-3H"	-3.021828
"506387"	377.074224	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M-3H"	-3.021828
"882002"	125.019890666667	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-3H"	-3.021828
"2396"	377.074224	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M-2H"	-2.014552
"442322"	566.114974	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M-2H"	-2.014552
"819029"	188.033474	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-2H"	-2.014552
"79752"	755.155724	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M-H"	-1.007276
"527339"	1133.237224	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M-H"	-1.007276
"905140"	377.074224	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-H"	-1.007276
"59513"	772.182271	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M-2H+NH4"	16.019271
"494698"	1150.263771	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M-2H+NH4"	16.019271
"871405"	394.100771	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-2H+NH4"	16.019271
"41500"	777.137666	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M-2H+Na"	20.974666
"484344"	1155.219166	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M-2H+Na"	20.974666
"861051"	399.056166	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-2H+Na"	20.974666
"1632772"	399.056166	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Na-2H"	20.974666
"104925"	395.062563	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M-H+Cl"	33.962126
"545579"	584.103313	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M-H+Cl"	33.962126
"934719"	206.021813	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-H+Cl"	33.962126
"278743"	791.132402	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+Cl"	34.969402
"664602"	1169.213902	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+Cl"	34.969402
"1273968"	413.050902	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Cl"	34.969402
"22849"	793.111606	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M-2H+K"	36.948606
"460222"	1171.193106	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M-2H+K"	36.948606
"844588"	415.030106	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-2H+K"	36.948606
"1561513"	415.030106	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+K-2H"	36.948606
"943924"	423.079694	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-H+HCOOH"	44.998194
"361689"	801.161201	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+HCOOH-H"	44.998201
"350404"	815.176851	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+Hac-H"	59.013851
"1498142"	437.095351	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Hac-H"	59.013851
"966778"	445.061651	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-H+NaCOOH"	66.980151
"111310"	413.050902	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+2Cl"	69.938804
"553057"	602.091652	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+2Cl"	69.938804
"1021977"	224.010152	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2Cl"	69.938804
"1243622"	457.000385	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Br"	78.918885
"1305339"	459.056372	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Cl+HCOOH"	80.974872
"1320077"	481.038329	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Cl+NaCOOH"	102.956829
"913897"	491.067086	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M-H+CF3COOH"	112.985586
"1296806"	527.043764	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Cl+CF3COOH"	148.962264
"1373874"	343.068824	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H-2H2O"	-35.012676
"1389185"	361.0788	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H-H2O"	-17.0027
"287777"	757.170276	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+H"	1.007276
"687127"	1135.251776	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+H"	1.007276
"1360927"	379.088776	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H"	1.007276
"136003"	379.088776	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+2H"	2.014552
"569364"	568.129526	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+2H"	2.014552
"1041444"	190.048026	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2H"	2.014552
"211168"	253.061609333333	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+3H"	3.021828
"647083"	379.088776	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+3H"	3.021828
"1164478"	127.034442666667	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+3H"	3.021828
"427016"	774.196823	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+NH4"	18.033823
"786142"	1152.278323	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+NH4"	18.033823
"1687268"	396.115323	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+NH4"	18.033823
"344303"	387.6020495	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+H+NH4"	19.041099
"735264"	576.6427995	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+H+NH4"	19.041099
"1488354"	198.5612995	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H+NH4"	19.041099
"401564"	779.152218	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+Na"	22.989218
"761471"	1157.233718	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+Na"	22.989218
"1611757"	401.070718	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Na"	22.989218
"325072"	390.079747	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+H+Na"	23.996494
"715314"	579.120497	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+H+Na"	23.996494
"1476710"	201.038997	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H+Na"	23.996494
"1067484"	134.361756666667	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2H+Na"	25.00377
"1270253"	411.114986	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+CH3OH+H"	33.033486
"388829"	795.126158	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+K"	38.963158
"751648"	1173.207658	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+K"	38.963158
"1547867"	417.044658	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+K"	38.963158
"314123"	398.066717	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+H+K"	39.970434
"697466"	587.107467	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+H+K"	39.970434
"1449460"	209.025967	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H+K"	39.970434
"247547"	798.196826	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+ACN+H"	42.033826
"1221719"	420.115326	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+ACN+H"	42.033826
"1207425"	210.561301	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+ACN+2H"	43.041102
"200291"	801.13416	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+2Na-H"	44.97116
"640213"	1179.21566	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+2Na-H"	44.97116
"1143720"	423.05266	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2Na-H"	44.97116
"185187"	401.070718	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+2Na"	45.978436
"620736"	590.111468	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+2Na"	45.978436
"1119868"	212.029968	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2Na"	45.978436
"1401567"	141.689070666667	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H+2Na"	46.985712
"1434414"	425.094246	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H+HCOOH"	47.012746
"223374"	406.10374	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+3H2O+2H"	56.04448
"1512170"	439.14629	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+IsoProp+H"	61.06479
"416965"	409.057688	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+Na+K"	61.952376
"784898"	598.098438	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+Na+K"	61.952376
"1677944"	220.016938	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Na+K"	61.952376
"261912"	820.178768	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+ACN+Na"	64.015768
"1233892"	442.097268	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+ACN+Na"	64.015768
"1723874"	442.120793	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+NH4+HCOOH"	64.039293
"1194049"	149.016384666667	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+3Na"	68.967654
"1663494"	447.076188	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Na+HCOOH"	68.994688
"168169"	833.08204	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+2K-H"	76.91904
"607726"	1211.16354	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+2K-H"	76.91904
"1089326"	455.00054	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2K-H"	76.91904
"150153"	417.044658	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"2M+2K"	77.926316
"592995"	606.085408	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"3M+2K"	77.926316
"1079697"	228.003908	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2K"	77.926316
"1112906"	457.015092	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2K+H"	78.933592
"1348198"	457.102707	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+DMSO+H"	79.021207
"1013447"	461.141876	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2ACN+H"	83.060376
"1537772"	462.135508	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+IsoProp+Na+H"	84.054008
"1000212"	231.074576	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+2ACN+2H"	84.067652
"1601276"	463.050128	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+K+HCOOH"	84.968628
"1418187"	493.081638	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+H+CF3COOH"	115.000138
"1155036"	251.587851	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+3ACN+2H"	125.094202
"1699121"	510.108185	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+NH4+CF3COOH"	132.026685
"1643519"	515.06358	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+Na+CF3COOH"	136.98208
"1578076"	531.03752	"C03998"	"7-Methylguanosine 5-phosphate;N7-Methyl-GMP"	"C11H17N5O8P"	"378.0815"	"M+K+CF3COOH"	152.95602
"815006"	206.0943	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M"	0
"975417"	187.07591	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-H2O-H"	-19.01839
"72407"	136.388924	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M-3H"	-3.021828
"506499"	205.087024	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M-3H"	-3.021828
"880363"	67.690824	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-3H"	-3.021828
"129"	205.087024	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M-2H"	-2.014552
"440732"	308.134174	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M-2H"	-2.014552
"820239"	102.039874	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-2H"	-2.014552
"92270"	411.181324	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M-H"	-1.007276
"532555"	617.275624	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M-H"	-1.007276
"901970"	205.087024	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-H"	-1.007276
"54155"	428.207871	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M-2H+NH4"	16.019271
"495903"	634.302171	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M-2H+NH4"	16.019271
"871520"	222.113571	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-2H+NH4"	16.019271
"38329"	433.163266	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M-2H+Na"	20.974666
"476796"	639.257566	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M-2H+Na"	20.974666
"858976"	227.068966	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-2H+Na"	20.974666
"1629601"	227.068966	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Na-2H"	20.974666
"106130"	223.075363	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M-H+Cl"	33.962126
"541315"	326.122513	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M-H+Cl"	33.962126
"938110"	120.028213	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-H+Cl"	33.962126
"275573"	447.158002	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+Cl"	34.969402
"662529"	653.252302	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+Cl"	34.969402
"1274936"	241.063702	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Cl"	34.969402
"21866"	449.137206	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M-2H+K"	36.948606
"460335"	655.231506	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M-2H+K"	36.948606
"844697"	243.042906	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-2H+K"	36.948606
"1559436"	243.042906	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+K-2H"	36.948606
"944764"	251.092494	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-H+HCOOH"	44.998194
"372099"	457.186801	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+HCOOH-H"	44.998201
"357075"	471.202451	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+Hac-H"	59.013851
"1507002"	265.108151	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Hac-H"	59.013851
"967981"	273.074451	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-H+NaCOOH"	66.980151
"115794"	241.063702	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+2Cl"	69.938804
"558637"	344.110852	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+2Cl"	69.938804
"1021723"	138.016552	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2Cl"	69.938804
"1241461"	285.013185	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Br"	78.918885
"1304258"	287.069172	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Cl+HCOOH"	80.974872
"1323680"	309.051129	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Cl+NaCOOH"	102.956829
"914736"	319.079886	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M-H+CF3COOH"	112.985586
"1292906"	355.056564	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Cl+CF3COOH"	148.962264
"1377266"	171.081624	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H-2H2O"	-35.012676
"1392576"	189.0916	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H-H2O"	-17.0027
"295913"	413.195876	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+H"	1.007276
"686149"	619.290176	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+H"	1.007276
"1361403"	207.101576	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H"	1.007276
"135385"	207.101576	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+2H"	2.014552
"578956"	310.148726	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+2H"	2.014552
"1045567"	104.054426	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2H"	2.014552
"209092"	138.403476	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+3H"	3.021828
"645372"	207.101576	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+3H"	3.021828
"1164591"	69.705376	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+3H"	3.021828
"427855"	430.222423	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+NH4"	18.033823
"793235"	636.316723	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+NH4"	18.033823
"1693949"	224.128123	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+NH4"	18.033823
"341132"	215.6148495	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+H+NH4"	19.041099
"734645"	318.6619995	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+H+NH4"	19.041099
"1486279"	112.5676995	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H+NH4"	19.041099
"403868"	435.177818	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+Na"	22.989218
"767417"	641.272118	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+Na"	22.989218
"1614421"	229.083518	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Na"	22.989218
"327378"	218.092547	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+H+Na"	23.996494
"722684"	321.139697	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+H+Na"	23.996494
"1473620"	115.045397	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H+Na"	23.996494
"1067229"	77.03269	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2H+Na"	25.00377
"1271827"	239.127786	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+CH3OH+H"	33.033486
"390400"	451.151758	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+K"	38.963158
"753824"	657.246058	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+K"	38.963158
"1553450"	245.057458	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+K"	38.963158
"310623"	226.079517	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+H+K"	39.970434
"697575"	329.126667	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+H+K"	39.970434
"1460517"	123.032367	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H+K"	39.970434
"249852"	454.222426	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+ACN+H"	42.033826
"1222922"	248.128126	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+ACN+H"	42.033826
"1205344"	124.567701	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+ACN+2H"	43.041102
"198213"	457.15976	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+2Na-H"	44.97116
"642149"	663.25406	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+2Na-H"	44.97116
"1143833"	251.06546	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2Na-H"	44.97116
"181288"	229.083518	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+2Na"	45.978436
"620848"	332.130668	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+2Na"	45.978436
"1118885"	126.036368	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2Na"	45.978436
"1406784"	84.360004	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H+2Na"	46.985712
"1435618"	253.107046	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H+HCOOH"	47.012746
"225314"	234.11654	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+3H2O+2H"	56.04448
"1521767"	267.15909	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+IsoProp+H"	61.06479
"421818"	237.070488	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+Na+K"	61.952376
"783178"	340.117638	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+Na+K"	61.952376
"1678417"	134.023338	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Na+K"	61.952376
"263842"	476.204368	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+ACN+Na"	64.015768
"1238376"	270.110068	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+ACN+Na"	64.015768
"1720699"	270.133593	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+NH4+HCOOH"	64.039293
"1183866"	91.687318	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+3Na"	68.967654
"1658134"	275.088988	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Na+HCOOH"	68.994688
"164996"	489.10764	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+2K-H"	76.91904
"604559"	695.20194	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+2K-H"	76.91904
"1089072"	283.01334	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2K-H"	76.91904
"155368"	245.057458	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"2M+2K"	77.926316
"586546"	348.104608	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"3M+2K"	77.926316
"1074338"	142.010308	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2K"	77.926316
"1109736"	285.027892	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2K+H"	78.933592
"1348308"	285.115507	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+DMSO+H"	79.021207
"1019025"	289.154676	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2ACN+H"	83.060376
"1538248"	290.148308	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+IsoProp+Na+H"	84.054008
"1001415"	145.080976	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+2ACN+2H"	84.067652
"1593730"	291.062928	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+K+HCOOH"	84.968628
"1420484"	321.094438	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+H+CF3COOH"	115.000138
"1151865"	165.594251	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+3ACN+2H"	125.094202
"1697892"	338.120985	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+NH4+CF3COOH"	132.026685
"1643629"	343.07638	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+Na+CF3COOH"	136.98208
"1578187"	359.05032	"C04000"	"Benzyl 2-methyl-3-oxobutanoate"	"C12H14O3"	"206.0943"	"M+K+CF3COOH"	152.95602
"815119"	188.0321	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M"	0
"977714"	169.01371	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H2O-H"	-19.01839
"71424"	124.347457333333	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-3H"	-3.021828
"506611"	187.024824	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-3H"	-3.021828
"884414"	61.6700906666667	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-3H"	-3.021828
"801"	187.024824	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H"	-2.014552
"449112"	281.040874	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H"	-2.014552
"829836"	93.008774	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H"	-2.014552
"88005"	375.056924	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-H"	-1.007276
"526469"	563.089024	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-H"	-1.007276
"898800"	187.024824	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H"	-1.007276
"52082"	392.083471	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H+NH4"	16.019271
"492737"	580.115571	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H+NH4"	16.019271
"872728"	204.051371	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H+NH4"	16.019271
"35161"	397.038866	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H+Na"	20.974666
"473627"	585.070966	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H+Na"	20.974666
"851429"	209.006766	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H+Na"	20.974666
"1618727"	209.006766	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na-2H"	20.974666
"100773"	205.013163	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-H+Cl"	33.962126
"537053"	299.029213	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-H+Cl"	33.962126
"929472"	110.997113	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+Cl"	33.962126
"269125"	411.033602	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Cl"	34.969402
"669206"	599.065702	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+Cl"	34.969402
"1281609"	223.001502	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl"	34.969402
"25260"	413.012806	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H+K"	36.948606
"467010"	601.044906	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H+K"	36.948606
"841527"	224.980706	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H+K"	36.948606
"1559546"	224.980706	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K-2H"	36.948606
"953998"	233.030294	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+HCOOH"	44.998194
"370025"	421.062401	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+HCOOH-H"	44.998201
"357190"	435.078051	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Hac-H"	59.013851
"1506019"	247.045951	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Hac-H"	59.013851
"961531"	255.012251	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+NaCOOH"	66.980151
"120283"	223.001502	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2Cl"	69.938804
"555468"	317.017552	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2Cl"	69.938804
"1023538"	128.985452	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2Cl"	69.938804
"1241776"	266.950985	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Br"	78.918885
"1310671"	269.006972	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl+HCOOH"	80.974872
"1322698"	290.988929	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl+NaCOOH"	102.956829
"922507"	301.017686	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+CF3COOH"	112.985586
"1301406"	336.994364	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl+CF3COOH"	148.962264
"1380295"	153.019424	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H-2H2O"	-35.012676
"1397427"	171.0294	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H-H2O"	-17.0027
"290191"	377.071476	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H"	1.007276
"683705"	565.103576	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H"	1.007276
"1362242"	189.039376	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H"	1.007276
"131849"	189.039376	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2H"	2.014552
"567520"	283.055426	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2H"	2.014552
"1041301"	95.023326	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2H"	2.014552
"208109"	126.362009333333	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+3H"	3.021828
"646087"	189.039376	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+3H"	3.021828
"1165793"	63.6846426666667	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+3H"	3.021828
"435635"	394.098023	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+NH4"	18.033823
"799186"	582.130123	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+NH4"	18.033823
"1693698"	206.065923	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+NH4"	18.033823
"343066"	197.5526495	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H+NH4"	19.041099
"730384"	291.5686995	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H+NH4"	19.041099
"1488581"	103.5365995	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+NH4"	19.041099
"402887"	399.053418	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Na"	22.989218
"764980"	587.085518	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+Na"	22.989218
"1617701"	211.021318	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na"	22.989218
"329729"	200.030347	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H+Na"	23.996494
"722474"	294.046397	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H+Na"	23.996494
"1474826"	106.014297	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+Na"	23.996494
"1067589"	71.0119566666667	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2H+Na"	25.00377
"1269751"	221.065586	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+CH3OH+H"	33.033486
"388323"	415.027358	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+K"	38.963158
"749322"	603.059458	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+K"	38.963158
"1546997"	226.995258	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K"	38.963158
"304173"	208.017317	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H+K"	39.970434
"699880"	302.033367	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H+K"	39.970434
"1456985"	114.001267	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+K"	39.970434
"246679"	418.098026	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+ACN+H"	42.033826
"1221207"	230.065926	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+ACN+H"	42.033826
"1205454"	115.536601	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+ACN+2H"	43.041102
"197962"	421.03536	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2Na-H"	44.97116
"636795"	609.06746	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2Na-H"	44.97116
"1139205"	233.00326	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2Na-H"	44.97116
"181398"	211.021318	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2Na"	45.978436
"618771"	305.037368	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2Na"	45.978436
"1120091"	117.005268	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2Na"	45.978436
"1404708"	78.3392706666667	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+2Na"	46.985712
"1439013"	235.044846	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+HCOOH"	47.012746
"225427"	216.05434	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+3H2O+2H"	56.04448
"1517870"	249.09689	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+IsoProp+H"	61.06479
"418650"	219.008288	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Na+K"	61.952376
"780738"	313.024338	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+Na+K"	61.952376
"1677798"	124.992238	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na+K"	61.952376
"260308"	440.079968	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+ACN+Na"	64.015768
"1239216"	252.047868	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+ACN+Na"	64.015768
"1726401"	252.071393	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+NH4+HCOOH"	64.039293
"1183977"	85.6665846666667	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+3Na"	68.967654
"1654964"	257.026788	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na+HCOOH"	68.994688
"167295"	452.98324	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2K-H"	76.91904
"601385"	641.01534	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2K-H"	76.91904
"1090273"	264.95114	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2K-H"	76.91904
"148190"	226.995258	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2K"	77.926316
"586656"	321.011308	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2K"	77.926316
"1074448"	132.979208	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2K"	77.926316
"1103283"	266.965692	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2K+H"	78.933592
"1339670"	267.053307	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+DMSO+H"	79.021207
"1010387"	271.092476	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2ACN+H"	83.060376
"1536167"	272.086108	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+IsoProp+Na+H"	84.054008
"1000430"	136.049876	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2ACN+2H"	84.067652
"1597120"	273.000728	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K+HCOOH"	84.968628
"1422781"	303.032238	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+CF3COOH"	115.000138
"1149786"	156.563151	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+3ACN+2H"	125.094202
"1702620"	320.058785	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+NH4+CF3COOH"	132.026685
"1637178"	325.01418	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na+CF3COOH"	136.98208
"1575017"	340.98812	"C04002"	"(Z)-But-1-ene-124-tricarboxylate;Homo-cis-aconitate;cis-Homoaconitate;(Z)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K+CF3COOH"	152.95602
"816838"	260.0297	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"976002"	241.01131	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"71534"	172.345857333333	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"506721"	259.022424	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"884524"	85.6692906666667	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"2004"	259.022424	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"450315"	389.037274	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"829946"	129.007574	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"89208"	519.052124	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"527672"	779.081824	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"898910"	259.022424	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"52192"	536.078671	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"492847"	796.108371	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"872838"	276.048971	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"35271"	541.034066	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"475194"	801.063766	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"851539"	281.004366	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1619611"	281.004366	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"100883"	277.010763	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"537163"	407.025613	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"928489"	146.995913	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"270328"	555.028802	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"669316"	815.058502	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1282812"	294.999102	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"27558"	557.008006	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"468577"	817.037706	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"841637"	296.978306	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1558927"	296.978306	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"955199"	305.027894	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"373415"	565.057601	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"358392"	579.073251	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1505036"	319.043551	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"962734"	327.009851	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"117113"	294.999102	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"554849"	425.013952	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1023648"	164.984252	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1242248"	338.948585	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1310781"	341.004572	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1323536"	362.986529	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"919337"	373.015286	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1302246"	408.991964	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1379675"	225.017024	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1389517"	243.027	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"287021"	521.066676	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"680535"	781.096376	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1356884"	261.036976	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"131959"	261.036976	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"567508"	391.051826	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1039223"	131.022126	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"208583"	174.360409333333	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"646683"	261.036976	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1166262"	87.6838426666667	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"435744"	538.093223	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"797837"	798.122923	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1695267"	278.063523	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"343541"	269.5502495	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"731587"	399.5650995	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1491243"	139.5353995	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"405184"	543.048618	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"766183"	803.078318	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1617571"	283.018918	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"328582"	272.027947	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"720643"	402.042797	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1476278"	142.013097	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1065996"	95.0111566666667	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1271564"	293.063186	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"388435"	559.022558	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"750525"	819.052258	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1548201"	298.992858	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"307563"	280.014917	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"699990"	410.029767	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1457093"	150.000067	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"246789"	562.093226	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1221681"	302.063526	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1202283"	151.535401	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"197341"	565.03056	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"639820"	825.06026	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1140408"	305.00086	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"179322"	283.018918	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"618881"	413.033768	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1120201"	153.004068	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1402630"	102.338470666667	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1435843"	307.042446	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"227724"	288.05194	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1517979"	321.09449	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"415479"	291.005888	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"775380"	421.020738	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1672804"	160.991038	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"256045"	584.075168	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1234220"	324.045468	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1722011"	324.068993	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1180805"	109.665784666667	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1655075"	329.024388	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"167405"	596.97844	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"598944"	857.00814	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1092570"	336.94874	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"152673"	298.992858	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"586766"	429.007708	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1071275"	168.978008	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1102299"	338.963292	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1339780"	339.050907	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1010497"	343.090076	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1536277"	344.083708	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1002726"	172.048676	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1596137"	344.998328	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1423984"	375.029838	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1147710"	192.561951	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1702730"	392.056385	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1637288"	397.01178	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1575127"	412.98572	"C04006"	"1D-myo-Inositol 3-phosphate;D-myo-Inositol 3-phosphate;myo-Inositol 3-phosphate;Inositol 3-phosphate;1D-myo-Inositol 3-monophosphate;D-myo-Inositol 3-monophosphate;myo-Inositol 3-monophosphate;Inositol 3-monophosphate;1L-myo-Inositol 1-phosphate;L-myo-Inositol 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"815337"	402.1315	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M"	0
"976841"	383.11311	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-H2O-H"	-19.01839
"68363"	267.080390666667	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M-3H"	-3.021828
"505736"	401.124224	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M-3H"	-3.021828
"886820"	133.036557333333	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-3H"	-3.021828
"3207"	401.124224	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M-2H"	-2.014552
"450425"	602.189974	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M-2H"	-2.014552
"828963"	200.058474	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-2H"	-2.014552
"89318"	803.255724	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M-H"	-1.007276
"528875"	1205.387224	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M-H"	-1.007276
"900113"	401.124224	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-H"	-1.007276
"53395"	820.282271	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M-2H+NH4"	16.019271
"492957"	1222.413771	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M-2H+NH4"	16.019271
"874041"	418.150771	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-2H+NH4"	16.019271
"35381"	825.237666	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M-2H+Na"	20.974666
"473482"	1227.369166	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M-2H+Na"	20.974666
"849946"	423.106166	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-2H+Na"	20.974666
"1620568"	423.106166	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Na-2H"	20.974666
"100991"	419.112563	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M-H+Cl"	33.962126
"538365"	620.178313	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M-H+Cl"	33.962126
"930053"	218.046813	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-H+Cl"	33.962126
"269707"	839.232402	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+Cl"	34.969402
"669426"	1241.363902	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+Cl"	34.969402
"1282922"	437.100902	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Cl"	34.969402
"27668"	841.211606	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M-2H+K"	36.948606
"468321"	1243.343106	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M-2H+K"	36.948606
"839560"	439.080106	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-2H+K"	36.948606
"1561955"	439.080106	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+K-2H"	36.948606
"957495"	447.129694	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-H+HCOOH"	44.998194
"374984"	849.261201	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+HCOOH-H"	44.998201
"357408"	863.276851	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+Hac-H"	59.013851
"1501865"	461.145351	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Hac-H"	59.013851
"962844"	469.111651	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-H+NaCOOH"	66.980151
"113214"	437.100902	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+2Cl"	69.938804
"551675"	638.166652	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+2Cl"	69.938804
"1023390"	236.035152	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2Cl"	69.938804
"1242479"	481.050385	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Br"	78.918885
"1310891"	483.106372	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Cl+HCOOH"	80.974872
"1322187"	505.088329	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Cl+NaCOOH"	102.956829
"919447"	515.117086	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M-H+CF3COOH"	112.985586
"1300898"	551.093764	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Cl+CF3COOH"	148.962264
"1377599"	367.118824	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H-2H2O"	-35.012676
"1395460"	385.1288	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H-H2O"	-17.0027
"295876"	805.270276	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+H"	1.007276
"678457"	1207.401776	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+H"	1.007276
"1357357"	403.138776	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H"	1.007276
"132069"	403.138776	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+2H"	2.014552
"567619"	604.204526	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+2H"	2.014552
"1038969"	202.073026	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2H"	2.014552
"208329"	269.094942666667	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+3H"	3.021828
"646063"	403.138776	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+3H"	3.021828
"1165281"	135.051109333333	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+3H"	3.021828
"435854"	822.296823	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+NH4"	18.033823
"796852"	1224.428323	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+NH4"	18.033823
"1693182"	420.165323	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+NH4"	18.033823
"341459"	411.6520495	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+H+NH4"	19.041099
"732791"	612.7177995	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+H+NH4"	19.041099
"1489897"	210.5862995	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H+NH4"	19.041099
"404203"	827.252218	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+Na"	22.989218
"766293"	1229.383718	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+Na"	22.989218
"1618047"	425.120718	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Na"	22.989218
"329908"	414.129747	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+H+Na"	23.996494
"722532"	615.195497	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+H+Na"	23.996494
"1476752"	213.063997	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H+Na"	23.996494
"1066105"	142.378423333333	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2H+Na"	25.00377
"1268878"	435.164986	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+CH3OH+H"	33.033486
"389638"	843.226158	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+K"	38.963158
"750634"	1245.357658	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+K"	38.963158
"1548311"	441.094658	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+K"	38.963158
"304393"	422.116717	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+H+K"	39.970434
"702286"	623.182467	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+H+K"	39.970434
"1455016"	221.050967	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H+K"	39.970434
"246899"	846.296826	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+ACN+H"	42.033826
"1218512"	444.165326	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+ACN+H"	42.033826
"1202393"	222.586301	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+ACN+2H"	43.041102
"195265"	849.23416	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+2Na-H"	44.97116
"638108"	1251.36566	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+2Na-H"	44.97116
"1139422"	447.10266	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2Na-H"	44.97116
"181618"	425.120718	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+2Na"	45.978436
"620084"	626.186468	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+2Na"	45.978436
"1122497"	224.054968	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2Na"	45.978436
"1406020"	149.705737333333	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H+2Na"	46.985712
"1437046"	449.144246	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H+HCOOH"	47.012746
"228927"	430.15374	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+3H2O+2H"	56.04448
"1514809"	463.19629	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+IsoProp+H"	61.06479
"415588"	433.107688	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+Na+K"	61.952376
"772210"	634.173438	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+Na+K"	61.952376
"1670726"	232.041938	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Na+K"	61.952376
"252873"	868.278768	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+ACN+Na"	64.015768
"1227039"	466.147268	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+ACN+Na"	64.015768
"1717747"	466.170793	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+NH4+HCOOH"	64.039293
"1180551"	157.033051333333	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+3Na"	68.967654
"1652998"	471.126188	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Na+HCOOH"	68.994688
"167515"	881.18204	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+2K-H"	76.91904
"598326"	1283.31354	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+2K-H"	76.91904
"1092680"	479.05054	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2K-H"	76.91904
"152783"	441.094658	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"2M+2K"	77.926316
"586876"	642.160408	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"3M+2K"	77.926316
"1070292"	240.028908	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2K"	77.926316
"1101681"	481.065092	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2K+H"	78.933592
"1343170"	481.152707	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+DMSO+H"	79.021207
"1007690"	485.191876	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2ACN+H"	83.060376
"1538574"	486.185508	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+IsoProp+Na+H"	84.054008
"996275"	243.099576	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+2ACN+2H"	84.067652
"1594058"	487.100128	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+K+HCOOH"	84.968628
"1415345"	517.131638	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+H+CF3COOH"	115.000138
"1148910"	263.612851	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+3ACN+2H"	125.094202
"1699560"	534.158185	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+NH4+CF3COOH"	132.026685
"1637398"	539.11358	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+Na+CF3COOH"	136.98208
"1575237"	555.08752	"C04007"	"Flavanone 7-O-beta-D-glucoside;Flavanone 7-O-glucoside"	"C21H22O8"	"402.1315"	"M+K+CF3COOH"	152.95602
"809985"	351.1165	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M"	0
"983517"	332.09811	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H2O-H"	-19.01839
"76864"	233.070390666667	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-3H"	-3.021828
"511321"	350.109224	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-3H"	-3.021828
"894958"	116.031557333333	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-3H"	-3.021828
"13171"	350.109224	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H"	-2.014552
"452367"	525.667474	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H"	-2.014552
"828345"	174.550974	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H"	-2.014552
"89427"	701.225724	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-H"	-1.007276
"530086"	1052.342224	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-H"	-1.007276
"907523"	350.109224	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H"	-1.007276
"60075"	718.252271	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+NH4"	16.019271
"500002"	1069.368771	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+NH4"	16.019271
"877437"	367.135771	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+NH4"	16.019271
"44976"	723.207666	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+Na"	20.974666
"481614"	1074.324166	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+Na"	20.974666
"857229"	372.091166	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+Na"	20.974666
"1631136"	372.091166	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na-2H"	20.974666
"107666"	368.097563	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-H+Cl"	33.962126
"545042"	543.655813	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-H+Cl"	33.962126
"936374"	192.539313	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+Cl"	33.962126
"273839"	737.202402	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Cl"	34.969402
"667353"	1088.318902	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Cl"	34.969402
"1279757"	386.085902	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl"	34.969402
"22316"	739.181606	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+K"	36.948606
"464059"	1090.298106	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+K"	36.948606
"842959"	388.065106	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+K"	36.948606
"1565355"	388.065106	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K-2H"	36.948606
"953240"	396.114694	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+HCOOH"	44.998194
"369995"	747.231201	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+HCOOH-H"	44.998201
"355700"	761.246851	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Hac-H"	59.013851
"1496148"	410.130351	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Hac-H"	59.013851
"960528"	418.096651	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+NaCOOH"	66.980151
"117335"	386.085902	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Cl"	69.938804
"557989"	561.644152	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Cl"	69.938804
"1023260"	210.527652	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Cl"	69.938804
"1251835"	430.035385	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Br"	78.918885
"1311002"	432.091372	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+HCOOH"	80.974872
"1330685"	454.073329	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+NaCOOH"	102.956829
"921750"	464.102086	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+CF3COOH"	112.985586
"1300645"	500.078764	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+CF3COOH"	148.962264
"1378807"	316.103824	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H-2H2O"	-35.012676
"1383905"	334.1138	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H-H2O"	-17.0027
"287600"	703.240276	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H"	1.007276
"681119"	1054.356776	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H"	1.007276
"1354553"	352.123776	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H"	1.007276
"129989"	352.123776	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2H"	2.014552
"567729"	527.682026	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2H"	2.014552
"1041633"	176.565526	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2H"	2.014552
"209534"	235.084942666667	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+3H"	3.021828
"655661"	352.123776	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+3H"	3.021828
"1172694"	118.046109333333	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3H"	3.021828
"435968"	720.266823	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+NH4"	18.033823
"799763"	1071.383323	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+NH4"	18.033823
"1690014"	369.150323	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4"	18.033823
"337198"	360.6370495	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+NH4"	19.041099
"733999"	536.1952995	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+NH4"	19.041099
"1487819"	185.0787995	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+NH4"	19.041099
"408416"	725.222218	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Na"	22.989218
"769532"	1076.338718	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Na"	22.989218
"1618117"	374.105718	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na"	22.989218
"329615"	363.114747	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+Na"	23.996494
"720972"	538.672997	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+Na"	23.996494
"1476697"	187.556497	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+Na"	23.996494
"1066214"	125.373423333333	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2H+Na"	25.00377
"1265706"	384.149986	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+CH3OH+H"	33.033486
"390838"	741.196158	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+K"	38.963158
"753536"	1092.312658	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+K"	38.963158
"1548421"	390.079658	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K"	38.963158
"311065"	371.101717	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+K"	39.970434
"702400"	546.659967	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+K"	39.970434
"1455126"	195.543467	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+K"	39.970434
"247008"	744.266826	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+ACN+H"	42.033826
"1218622"	393.150326	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+H"	42.033826
"1202504"	197.078801	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+2H"	43.041102
"198650"	747.20416	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Na-H"	44.97116
"638212"	1098.32066	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Na-H"	44.97116
"1145729"	396.08766	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Na-H"	44.97116
"179540"	374.105718	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Na"	45.978436
"618005"	549.663968	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Na"	45.978436
"1122606"	198.547468	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Na"	45.978436
"1409415"	132.700737333333	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+2Na"	46.985712
"1440445"	398.129246	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+HCOOH"	47.012746
"231234"	379.13874	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+3H2O+2H"	56.04448
"1523637"	412.18129	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+IsoProp+H"	61.06479
"418982"	382.092688	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Na+K"	61.952376
"783623"	557.650938	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Na+K"	61.952376
"1670840"	206.534438	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+K"	61.952376
"254075"	766.248768	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+ACN+Na"	64.015768
"1232256"	415.132268	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+Na"	64.015768
"1725520"	415.155793	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4+HCOOH"	64.039293
"1186499"	140.028051333333	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3Na"	68.967654
"1660768"	420.111188	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+HCOOH"	68.994688
"167629"	779.15204	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2K-H"	76.91904
"610853"	1130.26854	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2K-H"	76.91904
"1098278"	428.03554	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K-H"	76.91904
"152898"	390.079658	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2K"	77.926316
"594280"	565.637908	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2K"	77.926316
"1080248"	214.521408	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K"	77.926316
"1112365"	430.050092	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K+H"	78.933592
"1347656"	430.137707	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+DMSO+H"	79.021207
"1017284"	434.176876	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2ACN+H"	83.060376
"1535409"	435.170508	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+IsoProp+Na+H"	84.054008
"999666"	217.592076	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2ACN+2H"	84.067652
"1597454"	436.085128	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K+HCOOH"	84.968628
"1418737"	466.116638	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+CF3COOH"	115.000138
"1157775"	238.105351	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3ACN+2H"	125.094202
"1707327"	483.143185	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4+CF3COOH"	132.026685
"1642978"	488.09858	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+CF3COOH"	136.98208
"1575348"	504.07252	"C04015"	"N-Acetyl-4-O-acetylneuraminate;N4-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K+CF3COOH"	152.95602
"816858"	351.1165	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M"	0
"986906"	332.09811	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H2O-H"	-19.01839
"77335"	233.070390666667	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-3H"	-3.021828
"515801"	350.109224	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-3H"	-3.021828
"892511"	116.031557333333	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-3H"	-3.021828
"12917"	350.109224	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H"	-2.014552
"453569"	525.667474	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H"	-2.014552
"829183"	174.550974	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H"	-2.014552
"91723"	701.225724	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-H"	-1.007276
"530560"	1052.342224	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-H"	-1.007276
"906902"	350.109224	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H"	-1.007276
"60548"	718.252271	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+NH4"	16.019271
"499744"	1069.368771	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+NH4"	16.019271
"877545"	367.135771	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+NH4"	16.019271
"44721"	723.207666	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+Na"	20.974666
"480630"	1074.324166	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+Na"	20.974666
"854059"	372.091166	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+Na"	20.974666
"1627966"	372.091166	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na-2H"	20.974666
"106683"	368.097563	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-H+Cl"	33.962126
"545152"	543.655813	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-H+Cl"	33.962126
"936484"	192.539313	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+Cl"	33.962126
"275771"	737.202402	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Cl"	34.969402
"667462"	1088.318902	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Cl"	34.969402
"1279866"	386.085902	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl"	34.969402
"26434"	739.181606	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+K"	36.948606
"464169"	1090.298106	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+K"	36.948606
"843069"	388.065106	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+K"	36.948606
"1564371"	388.065106	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K-2H"	36.948606
"953350"	396.114694	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+HCOOH"	44.998194
"369376"	747.231201	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+HCOOH-H"	44.998201
"351435"	761.246851	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Hac-H"	59.013851
"1496622"	410.130351	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Hac-H"	59.013851
"960517"	418.096651	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+NaCOOH"	66.980151
"117445"	386.085902	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Cl"	69.938804
"558099"	561.644152	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Cl"	69.938804
"1023249"	210.527652	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Cl"	69.938804
"1251945"	430.035385	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Br"	78.918885
"1312205"	432.091372	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+HCOOH"	80.974872
"1330795"	454.073329	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+NaCOOH"	102.956829
"924047"	464.102086	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+CF3COOH"	112.985586
"1299299"	500.078764	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+CF3COOH"	148.962264
"1378918"	316.103824	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H-2H2O"	-35.012676
"1387295"	334.1138	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H-H2O"	-17.0027
"288438"	703.240276	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H"	1.007276
"680865"	1054.356776	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H"	1.007276
"1355028"	352.123776	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H"	1.007276
"128641"	352.123776	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2H"	2.014552
"567839"	527.682026	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2H"	2.014552
"1040649"	176.565526	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2H"	2.014552
"209645"	235.084942666667	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+3H"	3.021828
"647017"	352.123776	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+3H"	3.021828
"1170611"	118.046109333333	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3H"	3.021828
"432791"	720.266823	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+NH4"	18.033823
"799262"	1071.383323	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+NH4"	18.033823
"1687937"	369.150323	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4"	18.033823
"336214"	360.6370495	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+NH4"	19.041099
"734108"	536.1952995	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+NH4"	19.041099
"1486835"	185.0787995	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+NH4"	19.041099
"405888"	725.222218	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Na"	22.989218
"767611"	1076.338718	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Na"	22.989218
"1616440"	374.105718	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na"	22.989218
"326843"	363.114747	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+Na"	23.996494
"720353"	538.672997	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+Na"	23.996494
"1474173"	187.556497	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+Na"	23.996494
"1064136"	125.373423333333	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2H+Na"	25.00377
"1266909"	384.149986	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+CH3OH+H"	33.033486
"389854"	741.196158	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+K"	38.963158
"747569"	1092.312658	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+K"	38.963158
"1541971"	390.079658	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K"	38.963158
"307895"	371.101717	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+K"	39.970434
"701416"	546.659967	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+K"	39.970434
"1458150"	195.543467	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+K"	39.970434
"246022"	744.266826	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+ACN+H"	42.033826
"1219821"	393.150326	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+H"	42.033826
"1207713"	197.078801	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+2H"	43.041102
"194386"	747.20416	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Na-H"	44.97116
"633948"	1098.32066	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Na-H"	44.97116
"1138548"	396.08766	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Na-H"	44.97116
"179650"	374.105718	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Na"	45.978436
"614835"	549.663968	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Na"	45.978436
"1119433"	198.547468	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Na"	45.978436
"1412076"	132.700737333333	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+2Na"	46.985712
"1437274"	398.129246	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+HCOOH"	47.012746
"228063"	379.13874	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+3H2O+2H"	56.04448
"1518313"	412.18129	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+IsoProp+H"	61.06479
"419092"	382.092688	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Na+K"	61.952376
"780087"	557.650938	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Na+K"	61.952376
"1672043"	206.534438	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+K"	61.952376
"253455"	766.248768	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+ACN+Na"	64.015768
"1230179"	415.132268	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+Na"	64.015768
"1724901"	415.155793	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4+HCOOH"	64.039293
"1187702"	140.028051333333	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3Na"	68.967654
"1660878"	420.111188	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+HCOOH"	68.994688
"166645"	779.15204	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2K-H"	76.91904
"612293"	1130.26854	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2K-H"	76.91904
"1099236"	428.03554	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K-H"	76.91904
"155559"	390.079658	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2K"	77.926316
"595483"	565.637908	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2K"	77.926316
"1081451"	214.521408	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K"	77.926316
"1110286"	430.050092	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K+H"	78.933592
"1346672"	430.137707	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+DMSO+H"	79.021207
"1017394"	434.176876	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2ACN+H"	83.060376
"1536612"	435.170508	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+IsoProp+Na+H"	84.054008
"999776"	217.592076	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2ACN+2H"	84.067652
"1598657"	436.085128	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K+HCOOH"	84.968628
"1418847"	466.116638	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+CF3COOH"	115.000138
"1156792"	238.105351	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3ACN+2H"	125.094202
"1708530"	483.143185	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4+CF3COOH"	132.026685
"1643088"	488.09858	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+CF3COOH"	136.98208
"1578738"	504.07252	"C04016"	"N-Acetyl-7-O-acetylneuraminate;N7-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K+CF3COOH"	152.95602
"815549"	351.1165	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M"	0
"985924"	332.09811	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H2O-H"	-19.01839
"75259"	233.070390666667	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-3H"	-3.021828
"514818"	350.109224	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-3H"	-3.021828
"892621"	116.031557333333	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-3H"	-3.021828
"14363"	350.109224	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H"	-2.014552
"452222"	525.667474	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H"	-2.014552
"827107"	174.550974	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H"	-2.014552
"91468"	701.225724	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-H"	-1.007276
"531034"	1052.342224	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-H"	-1.007276
"906648"	350.109224	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H"	-1.007276
"58107"	718.252271	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+NH4"	16.019271
"497668"	1069.368771	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+NH4"	16.019271
"876198"	367.135771	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+NH4"	16.019271
"43008"	723.207666	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+Na"	20.974666
"480740"	1074.324166	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+Na"	20.974666
"854169"	372.091166	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+Na"	20.974666
"1628076"	372.091166	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na-2H"	20.974666
"107886"	368.097563	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-H+Cl"	33.962126
"544169"	543.655813	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-H+Cl"	33.962126
"936594"	192.539313	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+Cl"	33.962126
"277338"	737.202402	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Cl"	34.969402
"667572"	1088.318902	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Cl"	34.969402
"1279976"	386.085902	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl"	34.969402
"24722"	739.181606	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M-2H+K"	36.948606
"461727"	1090.298106	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M-2H+K"	36.948606
"843179"	388.065106	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-2H+K"	36.948606
"1566668"	388.065106	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K-2H"	36.948606
"956741"	396.114694	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+HCOOH"	44.998194
"372766"	747.231201	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+HCOOH-H"	44.998201
"352275"	761.246851	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Hac-H"	59.013851
"1496368"	410.130351	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Hac-H"	59.013851
"961720"	418.096651	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+NaCOOH"	66.980151
"114639"	386.085902	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Cl"	69.938804
"560396"	561.644152	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Cl"	69.938804
"1024089"	210.527652	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Cl"	69.938804
"1253148"	430.035385	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Br"	78.918885
"1311586"	432.091372	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+HCOOH"	80.974872
"1330905"	454.073329	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+NaCOOH"	102.956829
"919776"	464.102086	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M-H+CF3COOH"	112.985586
"1300866"	500.078764	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Cl+CF3COOH"	148.962264
"1379027"	316.103824	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H-2H2O"	-35.012676
"1386679"	334.1138	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H-H2O"	-17.0027
"288551"	703.240276	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H"	1.007276
"687536"	1054.356776	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H"	1.007276
"1356231"	352.123776	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H"	1.007276
"130210"	352.123776	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2H"	2.014552
"569042"	527.682026	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2H"	2.014552
"1044040"	176.565526	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2H"	2.014552
"209755"	235.084942666667	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+3H"	3.021828
"646035"	352.123776	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+3H"	3.021828
"1168534"	118.046109333333	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3H"	3.021828
"431808"	720.266823	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+NH4"	18.033823
"798278"	1071.383323	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+NH4"	18.033823
"1688047"	369.150323	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4"	18.033823
"337417"	360.6370495	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+NH4"	19.041099
"735676"	536.1952995	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+NH4"	19.041099
"1488035"	185.0787995	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+NH4"	19.041099
"407819"	725.222218	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Na"	22.989218
"768689"	1076.338718	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Na"	22.989218
"1618009"	374.105718	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na"	22.989218
"329384"	363.114747	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+Na"	23.996494
"722409"	538.672997	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+Na"	23.996494
"1476228"	187.556497	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+Na"	23.996494
"1067772"	125.373423333333	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2H+Na"	25.00377
"1270299"	384.149986	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+CH3OH+H"	33.033486
"391059"	741.196158	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+K"	38.963158
"748774"	1092.312658	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+K"	38.963158
"1545361"	390.079658	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K"	38.963158
"309100"	371.101717	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+H+K"	39.970434
"704077"	546.659967	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+H+K"	39.970434
"1458625"	195.543467	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+K"	39.970434
"249051"	744.266826	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+ACN+H"	42.033826
"1221028"	393.150326	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+H"	42.033826
"1205639"	197.078801	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+2H"	43.041102
"199965"	747.20416	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Na-H"	44.97116
"635151"	1098.32066	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Na-H"	44.97116
"1138658"	396.08766	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Na-H"	44.97116
"178667"	374.105718	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2Na"	45.978436
"614945"	549.663968	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2Na"	45.978436
"1118450"	198.547468	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2Na"	45.978436
"1412551"	132.700737333333	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+2Na"	46.985712
"1443208"	398.129246	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+HCOOH"	47.012746
"231454"	379.13874	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+3H2O+2H"	56.04448
"1518423"	412.18129	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+IsoProp+H"	61.06479
"419202"	382.092688	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+Na+K"	61.952376
"778010"	557.650938	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+Na+K"	61.952376
"1668506"	206.534438	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+K"	61.952376
"255392"	766.248768	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+ACN+Na"	64.015768
"1231382"	415.132268	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+ACN+Na"	64.015768
"1725011"	415.155793	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4+HCOOH"	64.039293
"1188905"	140.028051333333	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3Na"	68.967654
"1659895"	420.111188	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+HCOOH"	68.994688
"167848"	779.15204	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2K-H"	76.91904
"611071"	1130.26854	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2K-H"	76.91904
"1098492"	428.03554	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K-H"	76.91904
"154208"	390.079658	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"2M+2K"	77.926316
"588299"	565.637908	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"3M+2K"	77.926316
"1076093"	214.521408	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K"	77.926316
"1110396"	430.050092	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2K+H"	78.933592
"1346782"	430.137707	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+DMSO+H"	79.021207
"1014219"	434.176876	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2ACN+H"	83.060376
"1537453"	435.170508	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+IsoProp+Na+H"	84.054008
"997699"	217.592076	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+2ACN+2H"	84.067652
"1597671"	436.085128	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K+HCOOH"	84.968628
"1418957"	466.116638	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+H+CF3COOH"	115.000138
"1156902"	238.105351	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+3ACN+2H"	125.094202
"1708640"	483.143185	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+NH4+CF3COOH"	132.026685
"1643198"	488.09858	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+Na+CF3COOH"	136.98208
"1578848"	504.07252	"C04017"	"N-Acetyl-9-O-acetylneuraminate;N9-O-Diacetylneuraminate"	"C13H21NO10"	"351.1165"	"M+K+CF3COOH"	152.95602
"801600"	218.1267	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M"	0
"977284"	199.10831	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-H2O-H"	-19.01839
"68804"	144.410524	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M-3H"	-3.021828
"516759"	217.119424	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M-3H"	-3.021828
"893466"	71.701624	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-3H"	-3.021828
"13496"	217.119424	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M-2H"	-2.014552
"453057"	326.182774	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M-2H"	-2.014552
"825389"	108.056074	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-2H"	-2.014552
"87568"	435.246124	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M-H"	-1.007276
"527130"	653.372824	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M-H"	-1.007276
"904932"	217.119424	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-H"	-1.007276
"53841"	452.272671	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M-2H+NH4"	16.019271
"491212"	670.399371	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M-2H+NH4"	16.019271
"873389"	234.145971	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-2H+NH4"	16.019271
"38009"	457.228066	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M-2H+Na"	20.974666
"480853"	675.354766	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M-2H+Na"	20.974666
"859751"	239.101366	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-2H+Na"	20.974666
"1632202"	239.101366	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Na-2H"	20.974666
"105450"	235.107763	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M-H+Cl"	33.962126
"538814"	344.171113	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M-H+Cl"	33.962126
"939987"	126.044413	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-H+Cl"	33.962126
"277451"	471.222802	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+Cl"	34.969402
"670968"	689.349502	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+Cl"	34.969402
"1283371"	253.096102	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Cl"	34.969402
"30550"	473.202006	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M-2H+K"	36.948606
"470717"	691.328706	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M-2H+K"	36.948606
"846211"	255.075306	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-2H+K"	36.948606
"1570306"	255.075306	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+K-2H"	36.948606
"956485"	263.124894	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-H+HCOOH"	44.998194
"373606"	481.251601	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+HCOOH-H"	44.998201
"357854"	495.267251	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+Hac-H"	59.013851
"1499032"	277.140551	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Hac-H"	59.013851
"962562"	285.106851	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-H+NaCOOH"	66.980151
"111829"	253.096102	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+2Cl"	69.938804
"555400"	362.159452	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+2Cl"	69.938804
"1028211"	144.032752	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2Cl"	69.938804
"1246696"	297.045585	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Br"	78.918885
"1314613"	299.101572	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Cl+HCOOH"	80.974872
"1329928"	321.083529	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Cl+NaCOOH"	102.956829
"920985"	331.112286	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M-H+CF3COOH"	112.985586
"1298790"	367.088964	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Cl+CF3COOH"	148.962264
"1375855"	183.114024	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H-2H2O"	-35.012676
"1387518"	201.124	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H-H2O"	-17.0027
"296322"	437.260676	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+H"	1.007276
"681089"	655.387376	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+H"	1.007276
"1353425"	219.133976	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H"	1.007276
"130320"	219.133976	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+2H"	2.014552
"568425"	328.197326	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+2H"	2.014552
"1039411"	110.070626	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2H"	2.014552
"206220"	146.425076	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+3H"	3.021828
"651616"	219.133976	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+3H"	3.021828
"1169747"	73.716176	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+3H"	3.021828
"427551"	454.287223	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+NH4"	18.033823
"792920"	672.413923	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+NH4"	18.033823
"1693627"	236.160523	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+NH4"	18.033823
"337531"	227.6472495	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+H+NH4"	19.041099
"731044"	336.7105995	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+H+NH4"	19.041099
"1489241"	118.5838995	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H+NH4"	19.041099
"404649"	459.242618	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+Na"	22.989218
"768202"	677.369318	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+Na"	22.989218
"1616662"	241.115918	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Na"	22.989218
"327668"	230.124947	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+H+Na"	23.996494
"721914"	339.188297	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+H+Na"	23.996494
"1474030"	121.061597	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H+Na"	23.996494
"1064358"	81.04349	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2H+Na"	25.00377
"1269315"	251.160186	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+CH3OH+H"	33.033486
"392032"	475.216558	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+K"	38.963158
"753513"	693.343258	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+K"	38.963158
"1554231"	257.089858	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+K"	38.963158
"313799"	238.111917	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+H+K"	39.970434
"704556"	347.175267	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+H+K"	39.970434
"1459470"	129.048567	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H+K"	39.970434
"246244"	478.287226	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+ACN+H"	42.033826
"1221504"	260.160526	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+ACN+H"	42.033826
"1202834"	130.583901	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+ACN+2H"	43.041102
"197890"	481.22456	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+2Na-H"	44.97116
"638543"	699.35126	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+2Na-H"	44.97116
"1143874"	263.09786	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2Na-H"	44.97116
"177685"	241.115918	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+2Na"	45.978436
"624536"	350.179268	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+2Na"	45.978436
"1126223"	132.052568	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2Na"	45.978436
"1403192"	88.370804	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H+2Na"	46.985712
"1438588"	265.139446	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H+HCOOH"	47.012746
"229377"	246.14894	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+3H2O+2H"	56.04448
"1519626"	279.19149	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+IsoProp+H"	61.06479
"421138"	249.102888	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+Na+K"	61.952376
"781403"	358.166238	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+Na+K"	61.952376
"1678464"	140.039538	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Na+K"	61.952376
"264258"	500.269168	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+ACN+Na"	64.015768
"1239155"	282.142468	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+ACN+Na"	64.015768
"1728378"	282.165993	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+NH4+HCOOH"	64.039293
"1194144"	95.698118	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+3Na"	68.967654
"1664032"	287.121388	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Na+HCOOH"	68.994688
"170892"	513.17244	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+2K-H"	76.91904
"612148"	731.29914	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+2K-H"	76.91904
"1097509"	295.04574	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2K-H"	76.91904
"155786"	257.089858	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"2M+2K"	77.926316
"593524"	366.153208	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"3M+2K"	77.926316
"1080219"	148.026508	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2K"	77.926316
"1113799"	297.060292	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2K+H"	78.933592
"1350675"	297.147907	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+DMSO+H"	79.021207
"1020171"	301.187076	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2ACN+H"	83.060376
"1539150"	302.180708	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+IsoProp+Na+H"	84.054008
"1004745"	151.097176	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+2ACN+2H"	84.067652
"1602509"	303.095328	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+K+HCOOH"	84.968628
"1429877"	333.126838	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+H+CF3COOH"	115.000138
"1162125"	171.610451	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+3ACN+2H"	125.094202
"1712405"	350.153385	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+NH4+CF3COOH"	132.026685
"1647685"	355.10878	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+Na+CF3COOH"	136.98208
"1578962"	371.08272	"C04020"	"D-Lysopine;N2-(D-1-Carboxyethyl)-L-lysine;Lysopine"	"C9H18N2O4"	"218.1267"	"M+K+CF3COOH"	152.95602
"809331"	134.0402	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M"	0
"978488"	115.02181	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-H2O-H"	-19.01839
"76580"	88.3528573333333	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M-3H"	-3.021828
"516140"	133.032924	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M-3H"	-3.021828
"891754"	43.6727906666667	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-3H"	-3.021828
"11422"	133.032924	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M-2H"	-2.014552
"450979"	200.053024	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M-2H"	-2.014552
"826593"	66.012824	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-2H"	-2.014552
"89872"	267.073124	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M-H"	-1.007276
"529429"	401.113324	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M-H"	-1.007276
"905045"	133.032924	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-H"	-1.007276
"56139"	284.099671	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M-2H+NH4"	16.019271
"494605"	418.139871	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M-2H+NH4"	16.019271
"871312"	150.059471	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-2H+NH4"	16.019271
"35933"	289.055066	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M-2H+Na"	20.974666
"485707"	423.095266	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M-2H+Na"	20.974666
"859133"	155.014866	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-2H+Na"	20.974666
"1630491"	155.014866	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Na-2H"	20.974666
"103739"	151.021263	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M-H+Cl"	33.962126
"546583"	218.041363	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M-H+Cl"	33.962126
"939003"	84.001163	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-H+Cl"	33.962126
"279748"	303.049802	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+Cl"	34.969402
"673631"	437.090002	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+Cl"	34.969402
"1286523"	169.009602	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Cl"	34.969402
"29322"	305.029006	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M-2H+K"	36.948606
"468879"	439.069206	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M-2H+K"	36.948606
"847048"	170.988806	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-2H+K"	36.948606
"1568713"	170.988806	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+K-2H"	36.948606
"953315"	179.038394	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-H+HCOOH"	44.998194
"373353"	313.078601	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+HCOOH-H"	44.998201
"354320"	327.094251	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+Hac-H"	59.013851
"1499141"	193.054051	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Hac-H"	59.013851
"961210"	201.020351	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-H+NaCOOH"	66.980151
"113033"	169.009602	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+2Cl"	69.938804
"550007"	236.029702	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+2Cl"	69.938804
"1025404"	101.989502	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2Cl"	69.938804
"1254102"	212.959085	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Br"	78.918885
"1319312"	215.015072	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Cl+HCOOH"	80.974872
"1331132"	236.997029	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Cl+NaCOOH"	102.956829
"925473"	247.025786	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M-H+CF3COOH"	112.985586
"1302911"	283.002464	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Cl+CF3COOH"	148.962264
"1377061"	99.027524	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H-2H2O"	-35.012676
"1394559"	117.0375	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H-H2O"	-17.0027
"289872"	269.087676	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+H"	1.007276
"682292"	403.127876	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+H"	1.007276
"1358640"	135.047476	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H"	1.007276
"133716"	135.047476	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+2H"	2.014552
"569629"	202.067576	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+2H"	2.014552
"1038428"	68.027376	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2H"	2.014552
"207790"	90.3674093333333	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+3H"	3.021828
"648444"	135.047476	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+3H"	3.021828
"1169857"	45.6873426666667	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+3H"	3.021828
"429846"	286.114223	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+NH4"	18.033823
"793029"	420.154423	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+NH4"	18.033823
"1690453"	152.074023	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+NH4"	18.033823
"338735"	143.5607495	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+H+NH4"	19.041099
"732250"	210.5808495	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+H+NH4"	19.041099
"1491791"	76.5406495	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H+NH4"	19.041099
"406585"	291.069618	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+Na"	22.989218
"766847"	425.109818	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+Na"	22.989218
"1613851"	157.029418	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Na"	22.989218
"324617"	146.038447	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+H+Na"	23.996494
"717403"	213.058547	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+H+Na"	23.996494
"1472316"	79.018347	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H+Na"	23.996494
"1063376"	53.0146566666667	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2H+Na"	25.00377
"1271618"	167.073686	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+CH3OH+H"	33.033486
"388009"	307.043558	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+K"	38.963158
"749003"	441.083758	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+K"	38.963158
"1553979"	173.003358	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+K"	38.963158
"310786"	154.025417	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+H+K"	39.970434
"706490"	221.045517	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+H+K"	39.970434
"1459214"	87.005317	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H+K"	39.970434
"245261"	310.114226	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+ACN+H"	42.033826
"1220156"	176.074026	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+ACN+H"	42.033826
"1205861"	88.540651	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+ACN+2H"	43.041102
"202381"	313.05156	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+2Na-H"	44.97116
"640116"	447.09176	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+2Na-H"	44.97116
"1143985"	179.01136	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2Na-H"	44.97116
"187768"	157.029418	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+2Na"	45.978436
"623922"	224.049518	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+2Na"	45.978436
"1130842"	90.009318	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2Na"	45.978436
"1411930"	60.3419706666667	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H+2Na"	46.985712
"1438699"	181.052946	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H+HCOOH"	47.012746
"226207"	162.06244	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+3H2O+2H"	56.04448
"1519737"	195.10499	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+IsoProp+H"	61.06479
"419424"	165.016388	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+Na+K"	61.952376
"783704"	232.036488	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+Na+K"	61.952376
"1678946"	97.996288	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Na+K"	61.952376
"257806"	332.096168	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+ACN+Na"	64.015768
"1239272"	198.055968	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+ACN+Na"	64.015768
"1727924"	198.079493	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+NH4+HCOOH"	64.039293
"1193153"	67.6692846666667	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+3Na"	68.967654
"1663044"	203.034888	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Na+HCOOH"	68.994688
"170269"	344.99944	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+2K-H"	76.91904
"608735"	479.03964	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+2K-H"	76.91904
"1092880"	210.95924	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2K-H"	76.91904
"150791"	173.003358	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"2M+2K"	77.926316
"593635"	240.023458	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"3M+2K"	77.926316
"1083135"	105.983258	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2K"	77.926316
"1113669"	212.973792	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2K+H"	78.933592
"1350543"	213.061407	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+DMSO+H"	79.021207
"1021181"	217.100576	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2ACN+H"	83.060376
"1539548"	218.094208	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+IsoProp+Na+H"	84.054008
"1005105"	109.053926	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+2ACN+2H"	84.067652
"1598997"	219.008828	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+K+HCOOH"	84.968628
"1422466"	249.040338	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+H+CF3COOH"	115.000138
"1160776"	129.567201	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+3ACN+2H"	125.094202
"1711420"	266.066885	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+NH4+CF3COOH"	132.026685
"1647795"	271.02228	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+Na+CF3COOH"	136.98208
"1582353"	286.99622	"C04022"	"SS-Dimethyl-beta-propiothetin;S-Dimethylsulfonium propionic acid;Dimethylpropiothetin;DMPT;DMSP"	"C5H10O2S"	"134.0402"	"M+K+CF3COOH"	152.95602
"812721"	594.1585	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M"	0
"977140"	575.14011	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"78147"	395.098390666667	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"517343"	593.151224	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"895389"	197.045557333333	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"13354"	593.151224	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"451089"	890.230474	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"828891"	296.071974	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"91075"	1187.309724	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"529904"	1781.468224	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"906249"	593.151224	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"57342"	1204.336271	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"497995"	1798.494771	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"872518"	610.177771	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"36043"	1209.291666	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"485087"	1803.450166	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"862889"	615.133166	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1630601"	615.133166	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"106765"	611.139563	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"549448"	908.218813	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"941546"	314.060313	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"279858"	1223.286402	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"674227"	1817.444902	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1286876"	629.127902	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"29431"	1225.265606	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"469963"	1819.424106	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"845702"	631.107106	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1559347"	631.107106	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"950507"	639.156694	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"372004"	1233.315201	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"355886"	1247.330851	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1500345"	653.172351	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"963143"	661.138651	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"115695"	629.127902	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"549978"	926.207152	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1023691"	332.048652	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1249110"	673.077385	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1318729"	675.133372	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1327962"	697.115329	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"924489"	707.144086	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1303384"	743.120764	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1372068"	559.145824	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1395763"	577.1558	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"293262"	1189.324276	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"684589"	1783.482776	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1359843"	595.165776	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"134919"	595.165776	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"569011"	892.245026	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1038174"	298.086526	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"206806"	397.112942666667	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"652928"	595.165776	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1171059"	199.060109333333	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"431053"	1206.350823	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"796423"	1800.509323	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1687286"	612.192323	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"343221"	603.6790495	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"733453"	900.7582995	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1490202"	306.5997995	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"405965"	1211.306218	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"766959"	1805.464718	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1615784"	617.147718	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"326186"	606.156747	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"718606"	903.235997	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1472425"	309.077497	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1062392"	206.387423333333	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1264071"	627.191986	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"387026"	1227.280158	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"751301"	1821.438658	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1548981"	633.121658	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"310531"	614.143717	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"705502"	911.222967	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1459323"	317.064467	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"247923"	1230.350826	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1220995"	636.192326	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1205242"	318.599801	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"198479"	1233.28816	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"641685"	1827.44666	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1144095"	639.12966	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"187633"	617.147718	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"624759"	914.226968	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1130873"	320.068468	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1412161"	213.714737333333	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1442090"	641.171246	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"226317"	622.18074	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1519848"	655.22329	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"419535"	625.134688	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"783450"	922.213938	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1679055"	328.055438	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"261196"	1252.332768	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1240924"	658.174268	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1727914"	658.197793	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1193265"	221.042051333333	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1663154"	663.153188	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"170743"	1265.23604	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"608845"	1859.39454	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1094447"	671.07754	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"151265"	633.121658	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"591557"	930.200908	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1080808"	336.042408	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1113658"	673.092092	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1350045"	673.179707	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1020520"	677.218876	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1538887"	678.212508	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"1005500"	339.113076	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1596921"	679.127128	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1422580"	709.158638	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1159065"	359.626351	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1710803"	726.185185	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1647544"	731.14058	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1582462"	747.11452	"C04024"	"Vitexin 2-O-beta-D-glucoside;Flavosativaside;2-O-Glucosylvitexin"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"812835"	483.0791	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M"	0
"986367"	464.06071	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-H2O-H"	-19.01839
"71329"	321.045457333333	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M-3H"	-3.021828
"511982"	482.071824	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M-3H"	-3.021828
"884316"	160.019090666667	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-3H"	-3.021828
"10546"	482.071824	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M-2H"	-2.014552
"452294"	723.611374	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M-2H"	-2.014552
"831555"	240.532274	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-2H"	-2.014552
"93616"	965.150924	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M-H"	-1.007276
"531839"	1448.230024	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M-H"	-1.007276
"905266"	482.071824	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-H"	-1.007276
"58546"	982.177471	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M-2H+NH4"	16.019271
"501025"	1465.256571	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M-2H+NH4"	16.019271
"878098"	499.098371	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-2H+NH4"	16.019271
"46703"	987.132866	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M-2H+Na"	20.974666
"486946"	1470.211966	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M-2H+Na"	20.974666
"863487"	504.053766	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-2H+Na"	20.974666
"1630711"	504.053766	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Na-2H"	20.974666
"109352"	500.060163	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M-H+Cl"	33.962126
"548992"	741.599713	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M-H+Cl"	33.962126
"939954"	258.520613	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-H+Cl"	33.962126
"282036"	1001.127602	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+Cl"	34.969402
"674579"	1484.206702	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+Cl"	34.969402
"1287839"	518.048502	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Cl"	34.969402
"31161"	1003.106806	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M-2H+K"	36.948606
"470802"	1486.185906	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M-2H+K"	36.948606
"848442"	520.027706	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-2H+K"	36.948606
"1568930"	520.027706	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+K-2H"	36.948606
"953533"	528.077294	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-H+HCOOH"	44.998194
"371019"	1011.156401	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+HCOOH-H"	44.998201
"353806"	1025.172051	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+Hac-H"	59.013851
"1496077"	542.092951	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Hac-H"	59.013851
"959609"	550.059251	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-H+NaCOOH"	66.980151
"118726"	518.048502	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+2Cl"	69.938804
"558655"	759.588052	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+2Cl"	69.938804
"1034017"	276.508952	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2Cl"	69.938804
"1256756"	561.997985	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Br"	78.918885
"1319088"	564.053972	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Cl+HCOOH"	80.974872
"1334759"	586.035929	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Cl+NaCOOH"	102.956829
"926427"	596.064686	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M-H+CF3COOH"	112.985586
"1302770"	632.041364	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Cl+CF3COOH"	148.962264
"1380564"	448.066424	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H-2H2O"	-35.012676
"1397454"	466.0764	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H-H2O"	-17.0027
"295560"	967.165476	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+H"	1.007276
"686886"	1450.244576	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+H"	1.007276
"1359955"	484.086376	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H"	1.007276
"128469"	484.086376	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+2H"	2.014552
"574592"	725.625926	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+2H"	2.014552
"1047767"	242.546826	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2H"	2.014552
"216768"	323.060009333333	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+3H"	3.021828
"657057"	484.086376	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+3H"	3.021828
"1175548"	162.033642666667	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+3H"	3.021828
"433354"	984.192023	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+NH4"	18.033823
"796902"	1467.271123	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+NH4"	18.033823
"1693597"	501.112923	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+NH4"	18.033823
"335687"	492.5996495	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+H+NH4"	19.041099
"734669"	734.1391995	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+H+NH4"	19.041099
"1488487"	251.0600995	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H+NH4"	19.041099
"401700"	989.147418	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+Na"	22.989218
"762693"	1472.226518	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+Na"	22.989218
"1608606"	506.068318	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Na"	22.989218
"321922"	495.077347	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+H+Na"	23.996494
"716529"	736.616897	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+H+Na"	23.996494
"1465980"	253.537797	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H+Na"	23.996494
"1064332"	169.360956666667	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2H+Na"	25.00377
"1265280"	516.112586	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+CH3OH+H"	33.033486
"387133"	1005.121358	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+K"	38.963158
"747036"	1488.200458	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+K"	38.963158
"1555247"	522.042258	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+K"	38.963158
"313964"	503.064317	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+H+K"	39.970434
"706835"	744.603867	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+H+K"	39.970434
"1461058"	261.524767	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H+K"	39.970434
"250221"	1008.192026	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+ACN+H"	42.033826
"1224757"	525.112926	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+ACN+H"	42.033826
"1209245"	263.060101	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+ACN+2H"	43.041102
"202965"	1011.12936	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+2Na-H"	44.97116
"641432"	1494.20846	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+2Na-H"	44.97116
"1144574"	528.05026	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2Na-H"	44.97116
"188117"	506.068318	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+2Na"	45.978436
"628124"	747.607868	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+2Na"	45.978436
"1129843"	264.528768	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2Na"	45.978436
"1411178"	176.688270666667	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H+2Na"	46.985712
"1444389"	530.091846	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H+HCOOH"	47.012746
"230803"	511.10134	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+3H2O+2H"	56.04448
"1523652"	544.14389	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+IsoProp+H"	61.06479
"423303"	514.055288	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+Na+K"	61.952376
"783561"	755.594838	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+Na+K"	61.952376
"1680391"	272.515738	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Na+K"	61.952376
"265331"	1030.173968	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+ACN+Na"	64.015768
"1240468"	547.094868	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+ACN+Na"	64.015768
"1726196"	547.118393	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+NH4+HCOOH"	64.039293
"1192644"	184.015584666667	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+3Na"	68.967654
"1662537"	552.073788	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Na+HCOOH"	68.994688
"169761"	1043.07724	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+2K-H"	76.91904
"609322"	1526.15634	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+2K-H"	76.91904
"1098698"	559.99814	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2K-H"	76.91904
"156123"	522.042258	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"2M+2K"	77.926316
"596496"	763.581808	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"3M+2K"	77.926316
"1083600"	280.502708	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2K"	77.926316
"1115116"	562.012692	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2K+H"	78.933592
"1346873"	562.100307	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+DMSO+H"	79.021207
"1012485"	566.139476	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2ACN+H"	83.060376
"1529517"	567.133108	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+IsoProp+Na+H"	84.054008
"995964"	283.573376	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+2ACN+2H"	84.067652
"1593750"	568.047728	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+K+HCOOH"	84.968628
"1424874"	598.079238	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+H+CF3COOH"	115.000138
"1158443"	304.086651	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+3ACN+2H"	125.094202
"1704713"	615.105785	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+NH4+CF3COOH"	132.026685
"1640364"	620.06118	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+Na+CF3COOH"	136.98208
"1573827"	636.03512	"C04030"	"(23-Dihydroxybenzoyl)adenylate"	"C17H18N5O10P"	"483.0791"	"M+K+CF3COOH"	152.95602
"815619"	192.0423	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M"	0
"983198"	173.02391	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"71440"	127.020924	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"512093"	191.035024	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"890987"	63.006824	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"12844"	191.035024	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"451311"	287.056174	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"832603"	95.013874	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"92997"	383.077324	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"532313"	575.119624	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"910237"	191.035024	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"60481"	400.103871	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"501623"	592.146171	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"876751"	208.061571	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"45385"	405.059266	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"486039"	597.101566	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"861287"	213.016966	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1633015"	213.016966	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"108452"	209.023363	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"549590"	305.044513	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"942540"	113.002213	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"282515"	419.054002	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"675300"	611.096302	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1288191"	227.011702	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"31036"	421.033206	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"471155"	613.075506	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"847380"	228.990906	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1570867"	228.990906	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"956561"	237.040494	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"372588"	429.082801	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"353916"	443.098451	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1498375"	251.056151	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"960084"	259.022451	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"117014"	227.011702	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"560588"	323.032852	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1036807"	130.990552	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1255897"	270.961185	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1315065"	273.017172	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1334633"	294.999129	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"926535"	305.027886	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1302513"	341.004564	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1379581"	157.029624	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1392704"	175.0396	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"292389"	385.091876	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"683717"	577.134176	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1357878"	193.049576	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"139520"	193.049576	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"577988"	289.070726	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1047883"	97.028426	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"218216"	129.035476	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"654251"	193.049576	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1169823"	65.021376	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"430543"	402.118423	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"792268"	594.160723	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1687881"	210.076123	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"336890"	201.5628495	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"730404"	297.5839995	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1484223"	105.5416995	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"401810"	407.073818	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"762804"	599.116118	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1607624"	215.031518	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"317657"	204.040547	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"715551"	300.061697	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1462445"	108.019397	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1054962"	72.34869	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1267574"	225.075786	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"388335"	423.047758	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"743862"	615.090058	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1551383"	231.005458	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"305278"	212.027517	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"702075"	308.048667	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1460269"	116.006367	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"246683"	426.118426	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1223403"	234.076126	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1209234"	117.541701	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"201617"	429.05576	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"643126"	621.09806	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1146516"	237.01346	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"188231"	215.031518	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"627911"	311.052668	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1131094"	119.010368	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1412141"	79.676004	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1441219"	239.055046	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"234439"	220.06454	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1523477"	253.10709	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"424138"	223.018488	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"785299"	319.039638	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1680011"	126.997338	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"264713"	448.100368	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1239243"	256.058068	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1726796"	256.081593	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1192758"	87.003318	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1664833"	261.036988	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"170963"	461.00364	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"610889"	653.04594	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1097222"	268.96134	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"152947"	231.005458	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"595790"	327.026608	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1082133"	134.984308	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1115103"	270.975892	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1348441"	271.063507	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1012593"	275.102676	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1527441"	276.096308	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"991700"	138.054976	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1593858"	277.010928	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1420611"	307.042438	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1160741"	158.568251	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1710290"	324.068985	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1641567"	329.02438	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1573208"	344.99832	"C04033"	"1368-Naphthalenetetrol;1368-Tetrahydroxynaphthalene"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"809774"	410.2433	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M"	0
"986586"	391.22491	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-H2O-H"	-19.01839
"69362"	272.488257333333	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M-3H"	-3.021828
"510015"	409.236024	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M-3H"	-3.021828
"891097"	135.740490666667	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-3H"	-3.021828
"12589"	409.236024	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M-2H"	-2.014552
"453609"	614.357674	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M-2H"	-2.014552
"828496"	204.114374	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-2H"	-2.014552
"90308"	819.479324	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M-H"	-1.007276
"532304"	1229.722624	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M-H"	-1.007276
"909130"	409.236024	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-H"	-1.007276
"60226"	836.505871	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M-2H+NH4"	16.019271
"498328"	1246.749171	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M-2H+NH4"	16.019271
"875043"	426.262571	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-2H+NH4"	16.019271
"42942"	841.461266	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M-2H+Na"	20.974666
"483596"	1251.704566	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M-2H+Na"	20.974666
"857763"	431.217966	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-2H+Na"	20.974666
"1632394"	431.217966	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Na-2H"	20.974666
"105277"	427.224363	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M-H+Cl"	33.962126
"548117"	632.346013	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M-H+Cl"	33.962126
"941758"	222.102713	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-H+Cl"	33.962126
"281409"	855.456002	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+Cl"	34.969402
"672978"	1265.699302	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+Cl"	34.969402
"1287569"	445.212702	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Cl"	34.969402
"31101"	857.435206	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M-2H+K"	36.948606
"470781"	1267.678506	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M-2H+K"	36.948606
"847128"	447.191906	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-2H+K"	36.948606
"1569882"	447.191906	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+K-2H"	36.948606
"953754"	455.241494	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-H+HCOOH"	44.998194
"372697"	865.484801	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+HCOOH-H"	44.998201
"355121"	879.500451	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+Hac-H"	59.013851
"1499582"	469.257151	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Hac-H"	59.013851
"959833"	477.223451	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-H+NaCOOH"	66.980151
"124669"	445.212702	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+2Cl"	69.938804
"562161"	650.334352	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+2Cl"	69.938804
"1030960"	240.091052	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2Cl"	69.938804
"1251633"	489.162185	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Br"	78.918885
"1314081"	491.218172	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Cl+HCOOH"	80.974872
"1333764"	513.200129	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Cl+NaCOOH"	102.956829
"925917"	523.228886	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M-H+CF3COOH"	112.985586
"1299343"	559.205564	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Cl+CF3COOH"	148.962264
"1378598"	375.230624	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H-2H2O"	-35.012676
"1394637"	393.2406	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H-H2O"	-17.0027
"292500"	821.493876	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+H"	1.007276
"687108"	1231.737176	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+H"	1.007276
"1360175"	411.250576	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H"	1.007276
"139875"	411.250576	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+2H"	2.014552
"572628"	616.372226	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+2H"	2.014552
"1044709"	206.128926	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2H"	2.014552
"212610"	274.502809333333	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+3H"	3.021828
"655454"	411.250576	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+3H"	3.021828
"1170298"	137.755042666667	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+3H"	3.021828
"431381"	838.520423	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+NH4"	18.033823
"795670"	1248.763723	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+NH4"	18.033823
"1684711"	428.277123	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+NH4"	18.033823
"342467"	419.7638495	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+H+NH4"	19.041099
"733796"	624.8854995	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+H+NH4"	19.041099
"1486519"	214.6421995	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H+NH4"	19.041099
"403011"	843.475818	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+Na"	22.989218
"759636"	1253.719118	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+Na"	22.989218
"1605545"	433.232518	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Na"	22.989218
"317771"	422.241547	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+H+Na"	23.996494
"714568"	627.363197	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+H+Na"	23.996494
"1469484"	217.119897	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H+Na"	23.996494
"1056167"	145.082356666667	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2H+Na"	25.00377
"1257233"	443.276786	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+CH3OH+H"	33.033486
"384073"	859.449758	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+K"	38.963158
"743973"	1269.693058	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+K"	38.963158
"1549307"	449.206458	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+K"	38.963158
"308669"	430.228517	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+H+K"	39.970434
"706076"	635.350167	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+H+K"	39.970434
"1460261"	225.106867	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H+K"	39.970434
"249590"	862.520426	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+ACN+H"	42.033826
"1223513"	452.277126	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+ACN+H"	42.033826
"1208738"	226.642201	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+ACN+2H"	43.041102
"199176"	865.45776	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+2Na-H"	44.97116
"642265"	1275.70106	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+2Na-H"	44.97116
"1143706"	455.21446	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2Na-H"	44.97116
"185902"	433.232518	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+2Na"	45.978436
"626556"	638.354168	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+2Na"	45.978436
"1128969"	228.110868	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2Na"	45.978436
"1412739"	152.409670666667	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H+2Na"	46.985712
"1444743"	457.256046	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H+HCOOH"	47.012746
"234678"	438.26554	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+3H2O+2H"	56.04448
"1522381"	471.30809	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+IsoProp+H"	61.06479
"422433"	441.219488	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+Na+K"	61.952376
"782331"	646.341138	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+Na+K"	61.952376
"1678662"	236.097838	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Na+K"	61.952376
"262993"	884.502368	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+ACN+Na"	64.015768
"1238619"	474.259068	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+ACN+Na"	64.015768
"1726053"	474.282593	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+NH4+HCOOH"	64.039293
"1191044"	159.736984666667	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+3Na"	68.967654
"1663483"	479.237988	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Na+HCOOH"	68.994688
"171437"	897.40564	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+2K-H"	76.91904
"610999"	1307.64894	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+2K-H"	76.91904
"1098795"	487.16234	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2K-H"	76.91904
"152326"	449.206458	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"2M+2K"	77.926316
"594934"	654.328108	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"3M+2K"	77.926316
"1084027"	244.084808	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2K"	77.926316
"1114965"	489.176892	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2K+H"	78.933592
"1340894"	489.264507	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+DMSO+H"	79.021207
"1011611"	493.303676	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2ACN+H"	83.060376
"1527548"	494.297308	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+IsoProp+Na+H"	84.054008
"996183"	247.155476	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+2ACN+2H"	84.067652
"1592877"	495.211928	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+K+HCOOH"	84.968628
"1425096"	525.243438	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+H+CF3COOH"	115.000138
"1160486"	267.668751	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+3ACN+2H"	125.094202
"1710398"	542.269985	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+NH4+CF3COOH"	132.026685
"1640582"	547.22538	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+Na+CF3COOH"	136.98208
"1574049"	563.19932	"C04036"	"1-Palmitoylglycerol 3-phosphate;1-Hexadecanoyl-sn-glycero-3-phosphate"	"C19H39O7P"	"410.2433"	"M+K+CF3COOH"	152.95602
"809884"	274.009	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M"	0
"983416"	254.99061	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-H2O-H"	-19.01839
"72751"	181.665390666667	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M-3H"	-3.021828
"510125"	273.001724	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M-3H"	-3.021828
"890114"	90.3290573333333	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-3H"	-3.021828
"10876"	273.001724	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M-2H"	-2.014552
"454447"	410.006224	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M-2H"	-2.014552
"830063"	135.997224	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-2H"	-2.014552
"91512"	547.010724	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M-H"	-1.007276
"533022"	821.019724	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M-H"	-1.007276
"909486"	273.001724	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-H"	-1.007276
"58878"	564.037271	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+NH4"	16.019271
"497343"	838.046271	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+NH4"	16.019271
"875153"	290.028271	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-2H+NH4"	16.019271
"39772"	568.992666	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+Na"	20.974666
"481519"	843.001666	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+Na"	20.974666
"857144"	294.983666	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-2H+Na"	20.974666
"1632140"	294.983666	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Na-2H"	20.974666
"105387"	290.990063	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M-H+Cl"	33.962126
"547985"	427.994563	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M-H+Cl"	33.962126
"940652"	153.985563	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-H+Cl"	33.962126
"280912"	582.987402	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+Cl"	34.969402
"673452"	856.996402	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+Cl"	34.969402
"1285127"	308.978402	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Cl"	34.969402
"29507"	584.966606	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+K"	36.948606
"470768"	858.975606	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+K"	36.948606
"847598"	310.957606	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-2H+K"	36.948606
"1568169"	310.957606	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+K-2H"	36.948606
"950948"	319.007194	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-H+HCOOH"	44.998194
"365882"	593.016201	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+HCOOH-H"	44.998201
"350858"	607.031851	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+Hac-H"	59.013851
"1500786"	333.022851	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Hac-H"	59.013851
"962859"	340.989151	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-H+NaCOOH"	66.980151
"124901"	308.978402	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+2Cl"	69.938804
"562271"	445.982902	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+2Cl"	69.938804
"1031070"	171.973902	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2Cl"	69.938804
"1248463"	352.927885	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Br"	78.918885
"1314191"	354.983872	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+HCOOH"	80.974872
"1333874"	376.965829	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+NaCOOH"	102.956829
"924933"	386.994586	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M-H+CF3COOH"	112.985586
"1297266"	422.971264	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+CF3COOH"	148.962264
"1376521"	238.996324	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H-2H2O"	-35.012676
"1395111"	257.0063	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H-H2O"	-17.0027
"294797"	549.025276	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+H"	1.007276
"686125"	823.034276	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+H"	1.007276
"1363565"	275.016276	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H"	1.007276
"137554"	275.016276	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+2H"	2.014552
"572738"	412.020776	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+2H"	2.014552
"1044820"	138.011776	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2H"	2.014552
"213813"	183.679942666667	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+3H"	3.021828
"655564"	275.016276	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+3H"	3.021828
"1169679"	92.3436093333333	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+3H"	3.021828
"428575"	566.051823	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+NH4"	18.033823
"789207"	840.060823	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+NH4"	18.033823
"1692112"	292.042823	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+NH4"	18.033823
"340392"	283.5295495	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+H+NH4"	19.041099
"734998"	420.5340495	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+H+NH4"	19.041099
"1485536"	146.5250495	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H+NH4"	19.041099
"404214"	571.007218	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+Na"	22.989218
"760839"	845.016218	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+Na"	22.989218
"1606748"	296.998218	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Na"	22.989218
"317881"	286.007247	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+H+Na"	23.996494
"714678"	423.011747	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+H+Na"	23.996494
"1466314"	149.002747	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H+Na"	23.996494
"1055184"	99.6709233333333	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2H+Na"	25.00377
"1258196"	307.042486	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+CH3OH+H"	33.033486
"381996"	586.981158	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+K"	38.963158
"744083"	860.990158	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+K"	38.963158
"1547231"	312.972158	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+K"	38.963158
"305500"	293.994217	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+H+K"	39.970434
"705456"	430.998717	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+H+K"	39.970434
"1459762"	156.989717	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H+K"	39.970434
"249457"	590.051826	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+ACN+H"	42.033826
"1223624"	316.042826	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+H"	42.033826
"1208726"	158.525051	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+2H"	43.041102
"197463"	592.98916	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+2Na-H"	44.97116
"641770"	866.99816	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+2Na-H"	44.97116
"1140536"	318.98016	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2Na-H"	44.97116
"186012"	296.998218	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+2Na"	45.978436
"625572"	434.002718	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+2Na"	45.978436
"1127985"	159.993718	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2Na"	45.978436
"1410417"	106.998237333333	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H+2Na"	46.985712
"1445090"	321.021746	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H+HCOOH"	47.012746
"234422"	302.03124	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+3H2O+2H"	56.04448
"1521997"	335.07379	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+IsoProp+H"	61.06479
"422658"	304.985188	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+Na+K"	61.952376
"782804"	441.989688	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+Na+K"	61.952376
"1679500"	167.980688	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Na+K"	61.952376
"263103"	612.033768	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+ACN+Na"	64.015768
"1238729"	338.024768	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+Na"	64.015768
"1725434"	338.048293	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+NH4+HCOOH"	64.039293
"1191759"	114.325551333333	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+3Na"	68.967654
"1664081"	343.003688	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Na+HCOOH"	68.994688
"170454"	624.93704	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+2K-H"	76.91904
"611230"	898.94604	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+2K-H"	76.91904
"1099027"	350.92804	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2K-H"	76.91904
"151707"	312.972158	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"2M+2K"	77.926316
"596257"	449.976658	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"3M+2K"	77.926316
"1084054"	175.967658	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2K"	77.926316
"1114957"	352.942592	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2K+H"	78.933592
"1339911"	353.030207	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+DMSO+H"	79.021207
"1009534"	357.069376	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2ACN+H"	83.060376
"1524539"	358.063008	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+IsoProp+Na+H"	84.054008
"996293"	179.038326	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+2ACN+2H"	84.067652
"1591893"	358.977628	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+K+HCOOH"	84.968628
"1425205"	389.009138	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+H+CF3COOH"	115.000138
"1159867"	199.551601	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+3ACN+2H"	125.094202
"1712453"	406.035685	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+NH4+CF3COOH"	132.026685
"1640692"	410.99108	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+Na+CF3COOH"	136.98208
"1571728"	426.96502	"C04037"	"1-Phospho-alpha-D-galacturonate;D-Galacturonate 1-phosphate"	"C6H11O10P"	"274.009"	"M+K+CF3COOH"	152.95602
"806714"	134.0579	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M"	0
"986806"	115.03951	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-H2O-H"	-19.01839
"76142"	88.3646573333333	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M-3H"	-3.021828
"512423"	133.050624	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M-3H"	-3.021828
"890225"	43.6786906666667	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-3H"	-3.021828
"12080"	133.050624	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M-2H"	-2.014552
"455522"	200.079574	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M-2H"	-2.014552
"830905"	66.021674	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-2H"	-2.014552
"92962"	267.108524	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M-H"	-1.007276
"533863"	401.166424	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M-H"	-1.007276
"910326"	133.050624	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-H"	-1.007276
"60810"	284.135071	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M-2H+NH4"	16.019271
"495996"	418.192971	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M-2H+NH4"	16.019271
"879276"	150.077171	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-2H+NH4"	16.019271
"43163"	289.090466	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M-2H+Na"	20.974666
"484911"	423.148366	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M-2H+Na"	20.974666
"859441"	155.032566	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-2H+Na"	20.974666
"1631887"	155.032566	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Na-2H"	20.974666
"107686"	151.038963	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M-H+Cl"	33.962126
"547244"	218.067913	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M-H+Cl"	33.962126
"941856"	84.010013	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-H+Cl"	33.962126
"281506"	303.085202	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+Cl"	34.969402
"674656"	437.143102	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+Cl"	34.969402
"1286944"	169.027302	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Cl"	34.969402
"30346"	305.064406	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M-2H+K"	36.948606
"469909"	439.122306	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M-2H+K"	36.948606
"847225"	171.006506	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-2H+K"	36.948606
"1568643"	171.006506	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+K-2H"	36.948606
"952151"	179.056094	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-H+HCOOH"	44.998194
"368178"	313.114001	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+HCOOH-H"	44.998201
"352061"	327.129651	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+Hac-H"	59.013851
"1501989"	193.071751	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Hac-H"	59.013851
"962969"	201.038051	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-H+NaCOOH"	66.980151
"125377"	169.027302	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+2Cl"	69.938804
"564935"	236.056252	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+2Cl"	69.938804
"1034460"	101.998352	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2Cl"	69.938804
"1256227"	212.976785	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Br"	78.918885
"1313209"	215.032772	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Cl+HCOOH"	80.974872
"1333986"	237.014729	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Cl+NaCOOH"	102.956829
"925045"	247.043486	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M-H+CF3COOH"	112.985586
"1295190"	283.020164	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Cl+CF3COOH"	148.962264
"1375538"	99.045224	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H-2H2O"	-35.012676
"1394128"	117.0552	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H-H2O"	-17.0027
"294908"	269.123076	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+H"	1.007276
"690246"	403.180976	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+H"	1.007276
"1364772"	135.065176	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H"	1.007276
"137664"	135.065176	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+2H"	2.014552
"569568"	202.094126	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+2H"	2.014552
"1042014"	68.036226	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2H"	2.014552
"211737"	90.3792093333333	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+3H"	3.021828
"652392"	135.065176	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+3H"	3.021828
"1165414"	45.6932426666667	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+3H"	3.021828
"428686"	286.149623	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+NH4"	18.033823
"788589"	420.207523	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+NH4"	18.033823
"1692223"	152.091723	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+NH4"	18.033823
"341594"	143.5784495	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+H+NH4"	19.041099
"732923"	210.6073995	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+H+NH4"	19.041099
"1487834"	76.5494995	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H+NH4"	19.041099
"403233"	291.105018	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+Na"	22.989218
"764229"	425.162918	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+Na"	22.989218
"1609045"	157.047118	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Na"	22.989218
"317991"	146.056147	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+H+Na"	23.996494
"714788"	213.085097	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+H+Na"	23.996494
"1466788"	79.027197	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H+Na"	23.996494
"1056387"	53.0205566666667	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2H+Na"	25.00377
"1260251"	167.091386	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+CH3OH+H"	33.033486
"383200"	307.078958	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+K"	38.963158
"744193"	441.136858	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+K"	38.963158
"1550621"	173.021058	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+K"	38.963158
"309620"	154.043117	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+H+K"	39.970434
"703135"	221.072067	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+H+K"	39.970434
"1460601"	87.014167	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H+K"	39.970434
"247745"	310.149626	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+ACN+H"	42.033826
"1222276"	176.091726	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+ACN+H"	42.033826
"1206161"	88.549501	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+ACN+2H"	43.041102
"201585"	313.08696	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+2Na-H"	44.97116
"643094"	447.14486	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+2Na-H"	44.97116
"1143926"	179.02906	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2Na-H"	44.97116
"187221"	157.047118	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+2Na"	45.978436
"626658"	224.076068	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+2Na"	45.978436
"1128095"	90.018168	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2Na"	45.978436
"1407247"	60.3478706666667	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H+2Na"	46.985712
"1443981"	181.070646	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H+HCOOH"	47.012746
"233436"	162.08014	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+3H2O+2H"	56.04448
"1522227"	195.12269	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+IsoProp+H"	61.06479
"423010"	165.034088	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+Na+K"	61.952376
"783642"	232.063038	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+Na+K"	61.952376
"1678517"	98.005138	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Na+K"	61.952376
"265035"	332.131568	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+ACN+Na"	64.015768
"1240300"	198.073668	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+ACN+Na"	64.015768
"1725180"	198.097193	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+NH4+HCOOH"	64.039293
"1191988"	67.6751846666667	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+3Na"	68.967654
"1664675"	203.052588	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Na+HCOOH"	68.994688
"170808"	345.03484	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+2K-H"	76.91904
"608666"	479.09274	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+2K-H"	76.91904
"1095000"	210.97694	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2K-H"	76.91904
"154734"	173.021058	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"2M+2K"	77.926316
"596895"	240.050008	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"3M+2K"	77.926316
"1083679"	105.992108	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2K"	77.926316
"1114822"	212.991492	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2K+H"	78.933592
"1337836"	213.079107	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+DMSO+H"	79.021207
"1007457"	217.118276	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2ACN+H"	83.060376
"1526675"	218.111908	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+IsoProp+Na+H"	84.054008
"995311"	109.062776	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+2ACN+2H"	84.067652
"1593094"	219.026528	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+K+HCOOH"	84.968628
"1422036"	249.058038	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+H+CF3COOH"	115.000138
"1159615"	129.576051	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+3ACN+2H"	125.094202
"1710619"	266.084585	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+NH4+CF3COOH"	132.026685
"1639710"	271.03998	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+Na+CF3COOH"	136.98208
"1576456"	287.01392	"C04039"	"23-Dihydroxy-3-methylbutanoate;23-Dihydroxy-isovalerate;23-Dihydroxy-isovaleric acid"	"C5H10O4"	"134.0579"	"M+K+CF3COOH"	152.95602
"806824"	316.2402	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M"	0
"980356"	297.22181	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"76252"	209.819524	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"512533"	315.232924	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"893251"	104.406124	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"11096"	315.232924	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"455491"	473.353024	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"828459"	157.112824	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"92097"	631.473124	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"533242"	947.713324	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"909825"	315.232924	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"60920"	648.499671	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"496106"	964.739871	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"879020"	332.259471	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"46190"	653.455066	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"483928"	969.695266	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"858458"	337.214866	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1633334"	337.214866	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"109376"	333.221263	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"549180"	491.341363	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"940147"	175.101163	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"282226"	667.449802	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"675568"	983.690002	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1287900"	351.209602	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"26809"	669.429006	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"467463"	985.669206	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"846361"	353.188806	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1567658"	353.188806	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"952261"	361.238394	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"368288"	677.478601	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"351077"	691.494251	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1502099"	375.254051	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"963079"	383.220351	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"125243"	351.209602	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"564803"	509.329702	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1035789"	193.089502	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1256826"	395.159085	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1319640"	397.215072	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1334093"	419.197029	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"926611"	429.225786	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1298580"	465.202464	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1376742"	281.227524	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1394238"	299.2375	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"293925"	633.487676	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"689263"	949.727876	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1363789"	317.247476	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"135588"	317.247476	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"570772"	475.367576	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1042853"	159.127376	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"212940"	211.834076	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"651773"	317.247476	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1166617"	106.420676	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"428796"	650.514223	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"791250"	966.754423	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1691240"	334.274023	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"342797"	325.7607495	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"734856"	483.8808495	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1489037"	167.6406495	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"402249"	655.469618	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"763247"	971.709818	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1608063"	339.229418	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"319193"	328.238447	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"710524"	486.358547	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1465804"	170.118347	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1056497"	113.74799	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1266922"	349.273686	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"384403"	671.443558	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"744303"	987.683758	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1550368"	355.203358	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"306814"	336.225417	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"702153"	494.345517	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1457432"	178.105317	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"246034"	674.514226	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1220928"	358.274026	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1204811"	179.640651	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"199508"	677.45156	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"640531"	993.69176	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1140757"	361.21136	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"185140"	339.229418	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"627738"	497.349518	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1130392"	181.109318	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1407357"	121.075304	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1444455"	363.252946	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"233546"	344.26244	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1523190"	377.30499	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"422390"	347.216388	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"782294"	505.336488	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1678991"	189.096288	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"262957"	696.496168	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1240409"	380.255968	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1725290"	380.279493	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1192220"	128.402618	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1665151"	385.234888	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"171040"	709.39944	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"609140"	1025.63964	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1095110"	393.15924	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"155573"	355.203358	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"596718"	513.323458	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1083546"	197.083258	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1115528"	395.173792	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1351285"	395.261407	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1007567"	399.300576	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1527880"	400.294208	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"997609"	200.153926	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1592112"	401.208828	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1423239"	431.240338	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1160089"	220.667201	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1711823"	448.266885	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1643099"	453.22228	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1576566"	469.19622	"C04042"	"20alpha-Hydroxy-4-pregnen-3-one;20alpha-Hydroxypregn-4-en-3-one;20alpha-Hydroxyprogesterone;(S)-20-Hydroxypregn-4-en-3-one"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"806934"	152.0473	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M"	0
"985935"	133.02891	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"78261"	100.357590666667	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"518349"	151.040024	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"895070"	49.6751573333333	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"14124"	151.040024	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"455441"	227.063674	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"830392"	75.016374	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"94085"	303.087324	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"533591"	455.134624	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"904833"	151.040024	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"58843"	320.113871	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"500956"	472.161171	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"875478"	168.066571	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"36821"	325.069266	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"477475"	477.116566	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"864099"	173.021966	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1632466"	173.021966	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"109697"	169.028363	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"549054"	245.052013	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"942204"	93.004713	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"281853"	339.064002	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"675125"	491.111302	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1288174"	187.016702	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"30200"	341.043206	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"471267"	493.090506	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"847732"	188.995906	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1570812"	188.995906	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"954558"	197.045494	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"371679"	349.092801	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"352282"	363.108451	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1504397"	211.061151	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"966471"	219.027451	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"125354"	187.016702	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"565359"	263.040352	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1037051"	110.993052	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1256695"	230.966185	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1318529"	233.022172	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1328737"	255.004129	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"926361"	265.032886	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1301971"	301.009564	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1380133"	117.034624	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1394348"	135.0446	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"295128"	305.101876	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"690709"	457.149176	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1366940"	153.054576	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"140073"	153.054576	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"575257"	229.078226	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1046246"	77.030926	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"216332"	102.372142666667	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"653705"	153.054576	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1172926"	51.6897093333333	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"432921"	322.128423	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"793913"	474.175723	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1692442"	170.081123	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"339627"	161.5678495	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"734238"	237.5914995	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1489876"	85.5441995	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"405640"	327.083818	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"765544"	479.131118	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1611453"	175.036518	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"320396"	164.045547	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"711726"	240.069197	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1465550"	88.021897	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1059888"	59.0170233333333	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1268492"	185.080786	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"388160"	343.057758	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"752315"	495.105058	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1552665"	191.010458	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"314018"	172.032517	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"706561"	248.056167	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1461285"	96.008867	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"249427"	346.128426	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1225607"	194.081126	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1207111"	97.544201	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"199618"	349.06576	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"636267"	501.11306	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1137220"	197.01846	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"180146"	175.036518	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"621164"	251.060168	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1129408"	99.012868	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1405280"	66.3443373333333	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1444565"	199.060046	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"233654"	180.06954	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1524066"	213.11209	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"423960"	183.023488	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"781312"	259.047138	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1676551"	106.999838	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"264528"	368.110368	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1240641"	216.063068	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1728036"	216.086593	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1192694"	73.6716513333333	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1663802"	221.041988	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"171271"	381.01364	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"610343"	533.06094	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1095220"	228.96634	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"155318"	191.010458	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"596592"	267.034108	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1083981"	114.986808	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1115439"	230.980892	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1350331"	231.068507	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1012052"	235.107676	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1531270"	236.101308	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"999906"	118.057476	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1595503"	237.015928	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1426628"	267.047438	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1159103"	138.570751	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1709747"	284.073985	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1641023"	289.02938	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1573394"	305.00332	"C04043"	"34-Dihydroxyphenylacetaldehyde;Protocatechuatealdehyde"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"807044"	182.0579	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M"	0
"977297"	163.03951	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"75380"	120.364657333333	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"508378"	181.050624	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"888367"	59.6786906666667	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"1474"	181.050624	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"454889"	272.079574	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"827586"	90.021674	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"93537"	363.108524	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"530421"	545.166424	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"904944"	181.050624	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"54945"	380.135071	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"494506"	562.192971	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"876682"	198.077171	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"39117"	385.090466	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"478678"	567.148366	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"862677"	203.032566	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1630755"	203.032566	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"108872"	199.038963	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"549884"	290.067913	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"941948"	108.010013	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"282731"	399.085202	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"673896"	581.143102	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1288236"	217.027302	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"30310"	401.064406	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"468779"	583.122306	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"847673"	219.006506	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1567880"	219.006506	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"951387"	227.056094	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"366322"	409.114001	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"352391"	423.129651	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1502319"	241.071751	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"963300"	249.038051	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"124610"	217.027302	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"563078"	308.056252	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1035521"	125.998352	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1256678"	260.976785	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1319777"	263.032772	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1332126"	285.014729	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"925738"	295.043486	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1298799"	331.020164	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1368213"	147.045224	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1393365"	165.0552	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"288675"	365.123076	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"682191"	547.180976	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1354164"	183.065176	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"139087"	183.065176	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"577554"	274.094126	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1045261"	92.036226	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"215348"	122.379209333333	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"651628"	183.065176	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1169756"	61.6932426666667	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"435217"	382.149623	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"795116"	564.207523	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1691458"	200.091723	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"339737"	191.5784495	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"729974"	282.6073995	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1487071"	100.5494995	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"403562"	387.105018	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"762374"	569.162918	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1610469"	205.047118	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"318319"	194.056147	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"707946"	285.085097	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1463837"	103.027197	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1057811"	69.0205566666667	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1261675"	215.091386	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"385717"	403.078958	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"748536"	585.136858	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1550588"	221.021058	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"308130"	202.043117	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"701644"	293.072067	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1456196"	111.014167	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"248077"	406.149626	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1222245"	224.091726	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1205398"	112.549501	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"199725"	409.08696	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"640385"	591.14486	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1142068"	227.02906	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"179891"	205.047118	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"623824"	296.076068	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1127331"	114.018168	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1404297"	76.3478706666667	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1444962"	229.070646	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"234858"	210.08014	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1522919"	243.12269	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"423339"	213.034088	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"781422"	304.063038	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1678846"	122.005138	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"264270"	428.131568	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1237711"	246.073668	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1728292"	246.097193	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1191224"	83.6751846666667	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1661117"	251.052588	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"164696"	441.03484	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"606443"	623.09274	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1094237"	258.97694	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"156157"	221.021058	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"596573"	312.050008	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1083517"	129.992108	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1115445"	260.991492	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1351195"	261.079107	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1015442"	265.118276	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1533567"	266.111908	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"1001109"	133.062776	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1597798"	267.026528	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1427831"	297.058038	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1160306"	153.576051	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1708764"	314.084585	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1641133"	319.03998	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1573504"	335.01392	"C04044"	"3-(23-Dihydroxyphenyl)propanoate;23-Dihydroxyphenylpropanoate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"807154"	196.0372	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M"	0
"978500"	177.01881	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-H2O-H"	-19.01839
"73303"	129.684190666667	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M-3H"	-3.021828
"505208"	195.029924	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M-3H"	-3.021828
"888477"	64.3384573333333	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-3H"	-3.021828
"1948"	195.029924	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M-2H"	-2.014552
"454272"	293.048524	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M-2H"	-2.014552
"827332"	97.011324	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-2H"	-2.014552
"93893"	391.067124	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M-H"	-1.007276
"531624"	587.104324	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M-H"	-1.007276
"907240"	195.029924	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-H"	-1.007276
"57970"	408.093671	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M-2H+NH4"	16.019271
"497895"	604.130871	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M-2H+NH4"	16.019271
"876550"	212.056471	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-2H+NH4"	16.019271
"37040"	413.049066	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M-2H+Na"	20.974666
"477695"	609.086266	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M-2H+Na"	20.974666
"861693"	217.011866	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-2H+Na"	20.974666
"1630136"	217.011866	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Na-2H"	20.974666
"108131"	213.018263	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M-H+Cl"	33.962126
"549274"	311.036863	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M-H+Cl"	33.962126
"941203"	114.999663	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-H+Cl"	33.962126
"281707"	427.043802	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+Cl"	34.969402
"674735"	623.081002	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+Cl"	34.969402
"1286526"	231.006602	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Cl"	34.969402
"28233"	429.023006	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M-2H+K"	36.948606
"469980"	625.060206	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M-2H+K"	36.948606
"846688"	232.985806	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-2H+K"	36.948606
"1566895"	232.985806	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+K-2H"	36.948606
"948217"	241.035394	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-H+HCOOH"	44.998194
"365338"	437.072601	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+HCOOH-H"	44.998201
"350314"	451.088251	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+Hac-H"	59.013851
"1499147"	255.051051	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Hac-H"	59.013851
"964503"	263.017351	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-H+NaCOOH"	66.980151
"124719"	231.006602	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+2Cl"	69.938804
"561366"	329.025202	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+2Cl"	69.938804
"1034538"	132.988002	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2Cl"	69.938804
"1255208"	274.956085	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Br"	78.918885
"1318750"	277.012072	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Cl+HCOOH"	80.974872
"1332236"	298.994029	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Cl+NaCOOH"	102.956829
"917827"	309.022786	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M-H+CF3COOH"	112.985586
"1295629"	344.999464	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Cl+CF3COOH"	148.962264
"1368687"	161.024524	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H-2H2O"	-35.012676
"1393475"	179.0345	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H-H2O"	-17.0027
"289878"	393.081676	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+H"	1.007276
"677196"	589.118876	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+H"	1.007276
"1355366"	197.044476	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H"	1.007276
"138833"	197.044476	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+2H"	2.014552
"573290"	295.063076	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+2H"	2.014552
"1046465"	99.025876	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2H"	2.014552
"211084"	131.698742666667	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+3H"	3.021828
"646270"	197.044476	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+3H"	3.021828
"1166582"	66.3530093333333	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+3H"	3.021828
"432044"	410.108223	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+NH4"	18.033823
"794134"	606.145423	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+NH4"	18.033823
"1689372"	214.071023	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+NH4"	18.033823
"341670"	205.5577495	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+H+NH4"	19.041099
"735183"	303.5763495	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+H+NH4"	19.041099
"1490826"	107.5391495	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H+NH4"	19.041099
"404764"	415.063618	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+Na"	22.989218
"762485"	611.100818	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+Na"	22.989218
"1609488"	219.026418	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Na"	22.989218
"321711"	208.035447	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+H+Na"	23.996494
"711947"	306.054047	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+H+Na"	23.996494
"1465770"	110.016847	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H+Na"	23.996494
"1057921"	73.6803233333333	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2H+Na"	25.00377
"1265065"	229.070686	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+CH3OH+H"	33.033486
"384734"	431.037558	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+K"	38.963158
"751197"	627.074758	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+K"	38.963158
"1552886"	235.000358	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+K"	38.963158
"311155"	216.022417	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+H+K"	39.970434
"703940"	314.041017	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+H+K"	39.970434
"1459221"	118.003817	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H+K"	39.970434
"249281"	434.108226	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+ACN+H"	42.033826
"1224908"	238.071026	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+ACN+H"	42.033826
"1208059"	119.539151	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+ACN+2H"	43.041102
"196917"	437.04556	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+2Na-H"	44.97116
"637579"	633.08276	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+2Na-H"	44.97116
"1139992"	241.00836	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2Na-H"	44.97116
"180001"	219.026418	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+2Na"	45.978436
"626976"	317.045018	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+2Na"	45.978436
"1124162"	121.007818	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2Na"	45.978436
"1405500"	81.0076373333333	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H+2Na"	46.985712
"1444789"	243.049946	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H+HCOOH"	47.012746
"232784"	224.05944	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+3H2O+2H"	56.04448
"1520845"	257.10199	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+IsoProp+H"	61.06479
"421264"	227.013388	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+Na+K"	61.952376
"780440"	325.031988	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+Na+K"	61.952376
"1676406"	128.994788	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Na+K"	61.952376
"262560"	456.090168	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+ACN+Na"	64.015768
"1237457"	260.052968	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+ACN+Na"	64.015768
"1728007"	260.076493	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+NH4+HCOOH"	64.039293
"1189875"	88.3349513333333	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+3Na"	68.967654
"1661227"	265.031888	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Na+HCOOH"	68.994688
"165535"	468.99344	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+2K-H"	76.91904
"608375"	665.03064	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+2K-H"	76.91904
"1095440"	272.95624	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2K-H"	76.91904
"153350"	235.000358	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"2M+2K"	77.926316
"594737"	333.018958	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"3M+2K"	77.926316
"1084193"	136.981758	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2K"	77.926316
"1114525"	274.970792	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2K+H"	78.933592
"1351284"	275.058407	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+DMSO+H"	79.021207
"1014460"	279.097576	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2ACN+H"	83.060376
"1534770"	280.091208	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+IsoProp+Na+H"	84.054008
"1001220"	140.052426	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+2ACN+2H"	84.067652
"1597908"	281.005828	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+K+HCOOH"	84.968628
"1429868"	311.037338	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+H+CF3COOH"	115.000138
"1160416"	160.565701	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+3ACN+2H"	125.094202
"1708874"	328.063885	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+NH4+CF3COOH"	132.026685
"1640150"	333.01928	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+Na+CF3COOH"	136.98208
"1573614"	348.99322	"C04045"	"3-(34-Dihydroxyphenyl)pyruvate;34-Dihydroxyphenylpyruvate"	"C9H8O5"	"196.0372"	"M+K+CF3COOH"	152.95602
"810545"	853.152	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M"	0
"977518"	834.13361	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-H2O-H"	-19.01839
"70132"	567.760724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M-3H"	-3.021828
"510786"	852.144724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M-3H"	-3.021828
"884214"	283.376724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-3H"	-3.021828
"6069"	852.144724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M-2H"	-2.014552
"448914"	1278.720724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M-2H"	-2.014552
"827808"	425.568724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-2H"	-2.014552
"92422"	1705.296724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M-H"	-1.007276
"530643"	2558.448724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M-H"	-1.007276
"909296"	852.144724	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-H"	-1.007276
"58449"	1722.323271	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M-2H+NH4"	16.019271
"498006"	2575.475271	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M-2H+NH4"	16.019271
"868154"	869.171271	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-2H+NH4"	16.019271
"36058"	1727.278666	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M-2H+Na"	20.974666
"474887"	2580.430666	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M-2H+Na"	20.974666
"857798"	874.126666	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-2H+Na"	20.974666
"1631711"	874.126666	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Na-2H"	20.974666
"107146"	870.133063	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M-H+Cl"	33.962126
"547678"	1296.709063	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M-H+Cl"	33.962126
"940951"	443.557063	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-H+Cl"	33.962126
"280481"	1741.273402	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+Cl"	34.969402
"674723"	2594.425402	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+Cl"	34.969402
"1287371"	888.121402	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Cl"	34.969402
"29925"	1743.252606	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M-2H+K"	36.948606
"469726"	2596.404606	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M-2H+K"	36.948606
"846434"	890.100606	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-2H+K"	36.948606
"1559352"	890.100606	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+K-2H"	36.948606
"945047"	898.150194	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-H+HCOOH"	44.998194
"367636"	1751.302201	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+HCOOH-H"	44.998201
"352614"	1765.317851	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+Hac-H"	59.013851
"1500355"	912.165851	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Hac-H"	59.013851
"969725"	920.132151	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-H+NaCOOH"	66.980151
"118998"	888.121402	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+2Cl"	69.938804
"560746"	1314.697402	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+2Cl"	69.938804
"1031732"	461.545402	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2Cl"	69.938804
"1251311"	932.070885	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Br"	78.918885
"1314850"	934.126872	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Cl+HCOOH"	80.974872
"1326878"	956.108829	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Cl+NaCOOH"	102.956829
"917935"	966.137586	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M-H+CF3COOH"	112.985586
"1292458"	1002.114264	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Cl+CF3COOH"	148.962264
"1371713"	818.139324	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H-2H2O"	-35.012676
"1389210"	836.1493	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H-H2O"	-17.0027
"288893"	1707.311276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+H"	1.007276
"679128"	2560.463276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+H"	1.007276
"1362042"	854.159276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H"	1.007276
"134933"	854.159276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+2H"	2.014552
"568661"	1280.735276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+2H"	2.014552
"1043295"	427.583276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2H"	2.014552
"211194"	569.775276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+3H"	3.021828
"651848"	854.159276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+3H"	3.021828
"1168881"	285.391276	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+3H"	3.021828
"431060"	1724.337823	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+NH4"	18.033823
"795336"	2577.489823	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+NH4"	18.033823
"1688398"	871.185823	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+NH4"	18.033823
"342145"	862.6725495	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+H+NH4"	19.041099
"734563"	1289.2485495	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+H+NH4"	19.041099
"1487290"	436.0965495	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H+NH4"	19.041099
"402691"	1729.293218	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+Na"	22.989218
"760405"	2582.445218	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+Na"	22.989218
"1609598"	876.141218	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Na"	22.989218
"317448"	865.150247	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+H+Na"	23.996494
"710965"	1291.726247	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+H+Na"	23.996494
"1465880"	438.574247	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H+Na"	23.996494
"1061310"	292.71859	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2H+Na"	25.00377
"1265177"	886.185486	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+CH3OH+H"	33.033486
"386302"	1745.267158	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+K"	38.963158
"748024"	2598.419158	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+K"	38.963158
"1552993"	892.115158	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+K"	38.963158
"309441"	873.137217	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+H+K"	39.970434
"706239"	1299.713217	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+H+K"	39.970434
"1458968"	446.561217	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H+K"	39.970434
"249027"	1748.337826	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+H"	42.033826
"1221366"	895.185826	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+ACN+H"	42.033826
"1204890"	448.096551	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+ACN+2H"	43.041102
"195941"	1751.27516	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+2Na-H"	44.97116
"640241"	2604.42716	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+2Na-H"	44.97116
"1140102"	898.12316	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2Na-H"	44.97116
"177559"	876.141218	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+2Na"	45.978436
"621859"	1302.717218	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+2Na"	45.978436
"1120993"	449.565218	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2Na"	45.978436
"1407798"	300.045904	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H+2Na"	46.985712
"1436633"	900.164746	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H+HCOOH"	47.012746
"229610"	881.17424	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+3H2O+2H"	56.04448
"1522052"	914.21679	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+H"	61.06479
"419190"	884.128188	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+Na+K"	61.952376
"780551"	1310.704188	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+Na+K"	61.952376
"1675058"	457.552188	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Na+K"	61.952376
"262306"	1770.319768	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+Na"	64.015768
"1236472"	917.167768	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+ACN+Na"	64.015768
"1723898"	917.191293	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+NH4+HCOOH"	64.039293
"1188892"	307.373218	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+3Na"	68.967654
"1659878"	922.146688	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Na+HCOOH"	68.994688
"168198"	1783.22304	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+2K-H"	76.91904
"611770"	2636.37504	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+2K-H"	76.91904
"1096644"	930.07104	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2K-H"	76.91904
"156715"	892.115158	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"2M+2K"	77.926316
"596799"	1318.691158	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"3M+2K"	77.926316
"1084130"	465.539158	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2K"	77.926316
"1115606"	932.085592	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2K+H"	78.933592
"1342758"	932.173207	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+DMSO+H"	79.021207
"1019918"	936.212376	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+H"	83.060376
"1539866"	937.206008	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+Na+H"	84.054008
"1002420"	468.609826	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+2H"	84.067652
"1600935"	938.120628	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+K+HCOOH"	84.968628
"1426958"	968.152138	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+H+CF3COOH"	115.000138
"1161619"	489.123101	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+3ACN+2H"	125.094202
"1710076"	985.178685	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+NH4+CF3COOH"	132.026685
"1643538"	990.13408	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+Na+CF3COOH"	136.98208
"1573724"	1006.10802	"C04047"	"3-Hydroxy-2-methylpropanoyl-CoA;3-Hydroxy-2-methylpropionyl-CoA;3-Hydroxyisobutyryl-CoA;3-Hydroxyisobutyryl coenzyme A"	"C25H42N7O18P3S"	"853.152"	"M+K+CF3COOH"	152.95602
"811750"	190.0477	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M"	0
"980908"	171.02931	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-H2O-H"	-19.01839
"75711"	125.691190666667	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M-3H"	-3.021828
"514177"	189.040424	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M-3H"	-3.021828
"888699"	62.3419573333333	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-3H"	-3.021828
"9460"	189.040424	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M-2H"	-2.014552
"455437"	284.064274	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M-2H"	-2.014552
"831573"	94.016574	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-2H"	-2.014552
"93873"	379.088124	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M-H"	-1.007276
"534085"	569.135824	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M-H"	-1.007276
"910631"	189.040424	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-H"	-1.007276
"61597"	396.114671	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M-2H+NH4"	16.019271
"502580"	586.162371	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M-2H+NH4"	16.019271
"870089"	206.066971	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-2H+NH4"	16.019271
"40545"	401.070066	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M-2H+Na"	20.974666
"480103"	591.117766	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M-2H+Na"	20.974666
"855721"	211.022366	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-2H+Na"	20.974666
"1633524"	211.022366	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Na-2H"	20.974666
"107988"	207.028763	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M-H+Cl"	33.962126
"548883"	302.052613	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M-H+Cl"	33.962126
"941187"	112.004913	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-H+Cl"	33.962126
"281078"	415.064802	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+Cl"	34.969402
"675197"	605.112502	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+Cl"	34.969402
"1286990"	225.017102	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Cl"	34.969402
"29548"	417.044006	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M-2H+K"	36.948606
"469837"	607.091706	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M-2H+K"	36.948606
"846908"	226.996306	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-2H+K"	36.948606
"1564928"	226.996306	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+K-2H"	36.948606
"951716"	235.045894	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-H+HCOOH"	44.998194
"366651"	425.093601	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+HCOOH-H"	44.998201
"350534"	439.109251	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+Hac-H"	59.013851
"1499372"	249.061551	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Hac-H"	59.013851
"970199"	257.027851	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-H+NaCOOH"	66.980151
"122387"	225.017102	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+2Cl"	69.938804
"561944"	320.040952	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+2Cl"	69.938804
"1034024"	129.993252	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2Cl"	69.938804
"1254334"	268.966585	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Br"	78.918885
"1313868"	271.022572	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Cl+HCOOH"	80.974872
"1329176"	293.004529	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Cl+NaCOOH"	102.956829
"918047"	303.033286	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M-H+CF3COOH"	112.985586
"1298036"	339.009964	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Cl+CF3COOH"	148.962264
"1374009"	155.035024	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H-2H2O"	-35.012676
"1391507"	173.045	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H-H2O"	-17.0027
"291190"	381.102676	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+H"	1.007276
"681425"	571.150376	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+H"	1.007276
"1363248"	191.054976	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H"	1.007276
"137960"	191.054976	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+2H"	2.014552
"575706"	286.078826	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+2H"	2.014552
"1045599"	96.031126	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2H"	2.014552
"212406"	127.705742666667	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+3H"	3.021828
"654154"	191.054976	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+3H"	3.021828
"1168999"	64.3565093333333	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+3H"	3.021828
"430084"	398.129223	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+NH4"	18.033823
"798734"	588.176923	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+NH4"	18.033823
"1689595"	208.081523	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+NH4"	18.033823
"334592"	199.5682495	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+H+NH4"	19.041099
"734671"	294.5920995	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+H+NH4"	19.041099
"1489587"	104.5443995	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H+NH4"	19.041099
"404988"	403.084618	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+Na"	22.989218
"761609"	593.132318	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+Na"	22.989218
"1609706"	213.036918	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Na"	22.989218
"320839"	202.045947	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+H+Na"	23.996494
"715449"	297.069797	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+H+Na"	23.996494
"1470365"	107.022097	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H+Na"	23.996494
"1061421"	71.6838233333333	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2H+Na"	25.00377
"1270026"	223.081186	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+CH3OH+H"	33.033486
"388236"	419.058558	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+K"	38.963158
"753689"	609.106258	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+K"	38.963158
"1554934"	229.010858	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+K"	38.963158
"312477"	210.032917	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+H+K"	39.970434
"707042"	305.056767	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+H+K"	39.970434
"1460992"	115.009067	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H+K"	39.970434
"251383"	422.129226	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+ACN+H"	42.033826
"1225257"	232.081526	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+ACN+H"	42.033826
"1207554"	116.544401	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+ACN+2H"	43.041102
"198605"	425.06656	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+2Na-H"	44.97116
"635978"	615.11426	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+2Na-H"	44.97116
"1145681"	235.01886	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2Na-H"	44.97116
"186055"	213.036918	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+2Na"	45.978436
"624158"	308.060768	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+2Na"	45.978436
"1124385"	118.013068	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2Na"	45.978436
"1407908"	79.0111373333333	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H+2Na"	46.985712
"1439660"	237.060446	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H+HCOOH"	47.012746
"228995"	218.06994	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+3H2O+2H"	56.04448
"1521069"	251.11249	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+IsoProp+H"	61.06479
"417480"	221.023888	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+Na+K"	61.952376
"782850"	316.047738	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+Na+K"	61.952376
"1673710"	126.000038	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Na+K"	61.952376
"262054"	444.111168	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+ACN+Na"	64.015768
"1236946"	254.063468	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+ACN+Na"	64.015768
"1721824"	254.086993	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+NH4+HCOOH"	64.039293
"1190460"	86.3384513333333	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+3Na"	68.967654
"1658165"	259.042388	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Na+HCOOH"	68.994688
"170496"	457.01444	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+2K-H"	76.91904
"607871"	647.06214	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+2K-H"	76.91904
"1096754"	266.96674	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2K-H"	76.91904
"156989"	229.010858	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"2M+2K"	77.926316
"595933"	324.034708	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"3M+2K"	77.926316
"1084061"	133.987008	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2K"	77.926316
"1111953"	268.981292	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2K+H"	78.933592
"1340683"	269.068907	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+DMSO+H"	79.021207
"1017962"	273.108076	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2ACN+H"	83.060376
"1537181"	274.101708	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+IsoProp+Na+H"	84.054008
"1005087"	137.057676	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+2ACN+2H"	84.067652
"1600924"	275.016328	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+K+HCOOH"	84.968628
"1429256"	305.047838	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+H+CF3COOH"	115.000138
"1159542"	157.570951	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+3ACN+2H"	125.094202
"1709093"	322.074385	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+NH4+CF3COOH"	132.026685
"1641461"	327.02978	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+Na+CF3COOH"	136.98208
"1573834"	343.00372	"C04049"	"4-Hydroxy-4-methyl-2-oxoadipate"	"C7H10O6"	"190.0477"	"M+K+CF3COOH"	152.95602
"810765"	176.0586	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M"	0
"975550"	157.04021	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-H2O-H"	-19.01839
"68165"	116.365124	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M-3H"	-3.021828
"508818"	175.051324	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M-3H"	-3.021828
"883340"	57.678924	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-3H"	-3.021828
"1912"	175.051324	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M-2H"	-2.014552
"448041"	263.080624	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M-2H"	-2.014552
"824748"	87.022024	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-2H"	-2.014552
"93247"	351.109924	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M-H"	-1.007276
"530863"	527.168524	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M-H"	-1.007276
"908665"	175.051324	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-H"	-1.007276
"59763"	368.136471	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M-2H+NH4"	16.019271
"498226"	544.195071	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M-2H+NH4"	16.019271
"868375"	192.077871	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-2H+NH4"	16.019271
"42840"	373.091866	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M-2H+Na"	20.974666
"479120"	549.150466	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M-2H+Na"	20.974666
"856924"	197.033266	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-2H+Na"	20.974666
"1633676"	197.033266	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Na-2H"	20.974666
"109191"	193.039663	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M-H+Cl"	33.962126
"549399"	281.068963	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M-H+Cl"	33.962126
"941300"	105.010363	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-H+Cl"	33.962126
"281915"	387.086602	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+Cl"	34.969402
"674577"	563.145202	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+Cl"	34.969402
"1284914"	211.028002	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Cl"	34.969402
"28565"	389.065806	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M-2H+K"	36.948606
"469947"	565.124406	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M-2H+K"	36.948606
"847869"	213.007206	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-2H+K"	36.948606
"1563945"	213.007206	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+K-2H"	36.948606
"951826"	221.056794	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-H+HCOOH"	44.998194
"365668"	397.115401	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+HCOOH-H"	44.998201
"349551"	411.131051	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+Hac-H"	59.013851
"1499482"	235.072451	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Hac-H"	59.013851
"970309"	243.038751	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-H+NaCOOH"	66.980151
"121404"	211.028002	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+2Cl"	69.938804
"563147"	299.057302	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+2Cl"	69.938804
"1034863"	122.998702	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2Cl"	69.938804
"1255537"	254.977485	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Br"	78.918885
"1313978"	257.033472	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Cl+HCOOH"	80.974872
"1329286"	279.015429	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Cl+NaCOOH"	102.956829
"919250"	289.044186	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M-H+CF3COOH"	112.985586
"1298146"	325.020864	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Cl+CF3COOH"	148.962264
"1371929"	141.045924	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H-2H2O"	-35.012676
"1388333"	159.0559	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H-H2O"	-17.0027
"286929"	353.124476	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+H"	1.007276
"684814"	529.183076	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+H"	1.007276
"1363723"	177.065876	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H"	1.007276
"135154"	177.065876	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+2H"	2.014552
"573626"	265.095176	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+2H"	2.014552
"1046438"	89.036576	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2H"	2.014552
"211422"	118.379676	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+3H"	3.021828
"649888"	177.065876	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+3H"	3.021828
"1168013"	59.693476	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+3H"	3.021828
"427641"	370.151023	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+NH4"	18.033823
"791190"	546.209623	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+NH4"	18.033823
"1686789"	194.092423	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+NH4"	18.033823
"333243"	185.5791495	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+H+NH4"	19.041099
"729314"	273.6084495	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+H+NH4"	19.041099
"1489697"	97.5498495	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H+NH4"	19.041099
"405098"	375.106418	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+Na"	22.989218
"758440"	551.165018	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+Na"	22.989218
"1606537"	199.047818	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Na"	22.989218
"317670"	188.056847	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+H+Na"	23.996494
"713372"	276.086147	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+H+Na"	23.996494
"1469381"	100.027547	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H+Na"	23.996494
"1060438"	67.02079	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2H+Na"	25.00377
"1267584"	209.092086	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+CH3OH+H"	33.033486
"385066"	391.080358	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+K"	38.963158
"753715"	567.138958	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+K"	38.963158
"1553582"	215.021758	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+K"	38.963158
"312587"	196.043817	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+H+K"	39.970434
"706709"	284.073117	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+H+K"	39.970434
"1461166"	108.014517	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H+K"	39.970434
"251076"	394.151026	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+ACN+H"	42.033826
"1224753"	218.092426	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+ACN+H"	42.033826
"1206569"	109.549851	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+ACN+2H"	43.041102
"196163"	397.08836	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+2Na-H"	44.97116
"634994"	573.14696	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+2Na-H"	44.97116
"1141416"	221.02976	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2Na-H"	44.97116
"183613"	199.047818	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+2Na"	45.978436
"624268"	287.077118	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+2Na"	45.978436
"1121214"	111.018518	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2Na"	45.978436
"1408018"	74.348104	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H+2Na"	46.985712
"1440134"	223.071346	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H+HCOOH"	47.012746
"231290"	204.08084	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+3H2O+2H"	56.04448
"1517897"	237.12339	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+IsoProp+H"	61.06479
"416495"	207.034788	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+Na+K"	61.952376
"780408"	295.064088	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+Na+K"	61.952376
"1675643"	119.005488	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Na+K"	61.952376
"261070"	416.132968	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+ACN+Na"	64.015768
"1237420"	240.074368	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+ACN+Na"	64.015768
"1721934"	240.097893	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+NH4+HCOOH"	64.039293
"1187290"	81.675418	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+3Na"	68.967654
"1658274"	245.053288	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Na+HCOOH"	68.994688
"168418"	429.03624	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+2K-H"	76.91904
"606887"	605.09484	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+2K-H"	76.91904
"1095771"	252.97764	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2K-H"	76.91904
"156362"	215.021758	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"2M+2K"	77.926316
"594338"	303.051058	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"3M+2K"	77.926316
"1083841"	126.992458	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2K"	77.926316
"1114128"	254.992192	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2K+H"	78.933592
"1349542"	255.079807	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+DMSO+H"	79.021207
"1016979"	259.118976	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2ACN+H"	83.060376
"1532915"	260.112608	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+IsoProp+Na+H"	84.054008
"1001549"	130.063126	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+2ACN+2H"	84.067652
"1598603"	261.027228	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+K+HCOOH"	84.968628
"1426813"	291.058738	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+H+CF3COOH"	115.000138
"1156371"	150.576401	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+3ACN+2H"	125.094202
"1709203"	308.085285	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+NH4+CF3COOH"	132.026685
"1635132"	313.04068	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+Na+CF3COOH"	136.98208
"1571390"	329.01462	"C04050"	"4-Hydroxyaminoquinoline N-oxide"	"C9H8N2O2"	"176.0586"	"M+K+CF3COOH"	152.95602
"813062"	126.0542	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M"	0
"975660"	107.03581	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-H2O-H"	-19.01839
"68275"	83.0288573333333	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M-3H"	-3.021828
"510021"	125.046924	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M-3H"	-3.021828
"884543"	41.0107906666667	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-3H"	-3.021828
"2022"	125.046924	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M-2H"	-2.014552
"449244"	188.074024	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M-2H"	-2.014552
"822672"	62.019824	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-2H"	-2.014552
"91412"	251.101124	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M-H"	-1.007276
"530973"	377.155324	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M-H"	-1.007276
"908775"	125.046924	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-H"	-1.007276
"61210"	268.127671	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M-2H+NH4"	16.019271
"498336"	394.181871	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M-2H+NH4"	16.019271
"869580"	142.073471	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-2H+NH4"	16.019271
"42222"	273.083066	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M-2H+Na"	20.974666
"481416"	399.137266	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M-2H+Na"	20.974666
"855212"	147.028866	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-2H+Na"	20.974666
"1633136"	147.028866	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Na-2H"	20.974666
"108572"	143.035263	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M-H+Cl"	33.962126
"549715"	206.062363	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M-H+Cl"	33.962126
"940803"	80.008163	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-H+Cl"	33.962126
"281784"	287.077802	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+Cl"	34.969402
"674687"	413.132002	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+Cl"	34.969402
"1287210"	161.023602	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Cl"	34.969402
"30255"	289.057006	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M-2H+K"	36.948606
"470420"	415.111206	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M-2H+K"	36.948606
"847777"	163.002806	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-2H+K"	36.948606
"1567334"	163.002806	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+K-2H"	36.948606
"955216"	171.052394	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-H+HCOOH"	44.998194
"367965"	297.106601	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+HCOOH-H"	44.998201
"350754"	311.122251	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+Hac-H"	59.013851
"1500685"	185.068051	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Hac-H"	59.013851
"969326"	193.034351	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-H+NaCOOH"	66.980151
"121514"	161.023602	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+2Cl"	69.938804
"563258"	224.050702	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+2Cl"	69.938804
"1034244"	97.996502	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2Cl"	69.938804
"1254919"	204.973085	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Br"	78.918885
"1316275"	207.029072	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Cl+HCOOH"	80.974872
"1329396"	229.011029	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Cl+NaCOOH"	102.956829
"918267"	239.039786	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M-H+CF3COOH"	112.985586
"1298256"	275.016464	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Cl+CF3COOH"	148.962264
"1372040"	91.041524	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H-2H2O"	-35.012676
"1388443"	109.0515	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H-H2O"	-17.0027
"288132"	253.115676	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+H"	1.007276
"683831"	379.169876	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+H"	1.007276
"1363468"	127.061476	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H"	1.007276
"135264"	127.061476	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+2H"	2.014552
"574828"	190.088576	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+2H"	2.014552
"1045818"	64.034376	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2H"	2.014552
"210802"	85.0434093333333	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+3H"	3.021828
"648175"	127.061476	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+3H"	3.021828
"1168123"	43.0253426666667	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+3H"	3.021828
"427387"	270.142223	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+NH4"	18.033823
"791300"	396.196423	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+NH4"	18.033823
"1688721"	144.088023	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+NH4"	18.033823
"333718"	135.5747495	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+H+NH4"	19.041099
"728331"	198.6018495	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+H+NH4"	19.041099
"1490538"	72.5476495	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H+NH4"	19.041099
"404115"	275.097618	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+Na"	22.989218
"758551"	401.151818	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+Na"	22.989218
"1607742"	149.043418	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Na"	22.989218
"319968"	138.052447	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+H+Na"	23.996494
"712389"	201.079547	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+H+Na"	23.996494
"1473865"	75.025347	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H+Na"	23.996494
"1061642"	50.3526566666667	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2H+Na"	25.00377
"1269881"	159.087686	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+CH3OH+H"	33.033486
"387363"	291.071558	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+K"	38.963158
"753704"	417.125758	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+K"	38.963158
"1555152"	165.017358	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+K"	38.963158
"313061"	146.039417	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+H+K"	39.970434
"706576"	209.066517	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+H+K"	39.970434
"1461096"	83.012317	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H+K"	39.970434
"251253"	294.142226	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+ACN+H"	42.033826
"1225472"	168.088026	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+ACN+H"	42.033826
"1205586"	84.547651	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+ACN+2H"	43.041102
"194086"	297.07956	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+2Na-H"	44.97116
"632917"	423.13376	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+2Na-H"	44.97116
"1140432"	171.02536	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2Na-H"	44.97116
"182995"	149.043418	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+2Na"	45.978436
"623650"	212.070518	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+2Na"	45.978436
"1121324"	86.016318	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2Na"	45.978436
"1407764"	57.6799706666667	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H+2Na"	46.985712
"1439880"	173.066946	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H+HCOOH"	47.012746
"227753"	154.07644	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+3H2O+2H"	56.04448
"1518733"	187.11899	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+IsoProp+H"	61.06479
"419155"	157.030388	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+Na+K"	61.952376
"778695"	220.057488	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+Na+K"	61.952376
"1676118"	94.003288	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Na+K"	61.952376
"259356"	316.124168	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+ACN+Na"	64.015768
"1234252"	190.069968	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+ACN+Na"	64.015768
"1722044"	190.093493	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+NH4+HCOOH"	64.039293
"1186303"	65.0072846666667	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+3Na"	68.967654
"1657291"	195.048888	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Na+HCOOH"	68.994688
"166341"	329.02744	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+2K-H"	76.91904
"608084"	455.08164	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+2K-H"	76.91904
"1092599"	202.97324	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2K-H"	76.91904
"155863"	165.017358	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"2M+2K"	77.926316
"593355"	228.044458	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"3M+2K"	77.926316
"1081149"	101.990258	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2K"	77.926316
"1114117"	204.987792	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2K+H"	78.933592
"1349651"	205.075407	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+DMSO+H"	79.021207
"1019274"	209.114576	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2ACN+H"	83.060376
"1534119"	210.108208	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+IsoProp+Na+H"	84.054008
"1001659"	105.060926	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+2ACN+2H"	84.067652
"1600170"	211.022828	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+K+HCOOH"	84.968628
"1427287"	241.054338	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+H+CF3COOH"	115.000138
"1156481"	125.574201	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+3ACN+2H"	125.094202
"1708220"	258.080885	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+NH4+CF3COOH"	132.026685
"1635120"	263.03628	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+Na+CF3COOH"	136.98208
"1571620"	279.01022	"C04051"	"5-Amino-4-imidazolecarboxyamide"	"C4H6N4O"	"126.0542"	"M+K+CF3COOH"	152.95602
"809892"	216.027	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M"	0
"976131"	197.00861	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-H2O-H"	-19.01839
"65469"	143.010724	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M-3H"	-3.021828
"506851"	215.019724	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M-3H"	-3.021828
"884653"	71.001724	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-3H"	-3.021828
"1403"	215.019724	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M-2H"	-2.014552
"448261"	323.033224	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M-2H"	-2.014552
"823875"	107.006224	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-2H"	-2.014552
"91522"	431.046724	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M-H"	-1.007276
"531083"	647.073724	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M-H"	-1.007276
"909736"	215.019724	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-H"	-1.007276
"59983"	448.073271	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M-2H+NH4"	16.019271
"498446"	664.100271	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M-2H+NH4"	16.019271
"872970"	232.046271	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-2H+NH4"	16.019271
"38687"	453.028666	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M-2H+Na"	20.974666
"481162"	669.055666	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M-2H+Na"	20.974666
"857145"	237.001666	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-2H+Na"	20.974666
"1629959"	237.001666	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Na-2H"	20.974666
"109450"	233.008063	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M-H+Cl"	33.962126
"548725"	341.021563	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M-H+Cl"	33.962126
"941146"	124.994563	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-H+Cl"	33.962126
"278121"	467.023402	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+Cl"	34.969402
"672365"	683.050402	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+Cl"	34.969402
"1285863"	250.996402	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Cl"	34.969402
"28785"	469.002606	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M-2H+K"	36.948606
"467250"	685.029606	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M-2H+K"	36.948606
"843956"	252.975606	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-2H+K"	36.948606
"1564163"	252.975606	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+K-2H"	36.948606
"952046"	261.025194	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-H+HCOOH"	44.998194
"362972"	477.052201	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+HCOOH-H"	44.998201
"347584"	491.067851	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+Hac-H"	59.013851
"1500795"	275.040851	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Hac-H"	59.013851
"968342"	283.007151	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-H+NaCOOH"	66.980151
"122717"	250.996402	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+2Cl"	69.938804
"564096"	359.009902	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+2Cl"	69.938804
"1033260"	142.982902	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2Cl"	69.938804
"1255272"	294.945885	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Br"	78.918885
"1315291"	297.001872	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Cl+HCOOH"	80.974872
"1329506"	318.983829	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Cl+NaCOOH"	102.956829
"918377"	329.012586	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M-H+CF3COOH"	112.985586
"1296176"	364.989264	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Cl+CF3COOH"	148.962264
"1369963"	181.014324	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H-2H2O"	-35.012676
"1388553"	199.0243	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H-H2O"	-17.0027
"289335"	433.061276	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+H"	1.007276
"678474"	649.088276	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+H"	1.007276
"1365764"	217.034276	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H"	1.007276
"136467"	217.034276	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+2H"	2.014552
"574938"	325.047776	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+2H"	2.014552
"1044835"	109.020776	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2H"	2.014552
"209455"	145.025276	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+3H"	3.021828
"649014"	217.034276	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+3H"	3.021828
"1168233"	73.016276	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+3H"	3.021828
"427133"	450.087823	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+NH4"	18.033823
"791410"	666.114823	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+NH4"	18.033823
"1687738"	234.060823	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+NH4"	18.033823
"334193"	225.5475495	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+H+NH4"	19.041099
"728441"	333.5610495	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+H+NH4"	19.041099
"1487005"	117.5340495	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H+NH4"	19.041099
"398759"	455.043218	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+Na"	22.989218
"757565"	671.070218	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+Na"	22.989218
"1604570"	239.016218	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Na"	22.989218
"314971"	228.025247	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+H+Na"	23.996494
"707512"	336.038747	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+H+Na"	23.996494
"1467411"	120.011747	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H+Na"	23.996494
"1059564"	80.34359	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2H+Na"	25.00377
"1269992"	249.060486	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+CH3OH+H"	33.033486
"386379"	471.017158	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+K"	38.963158
"747374"	687.044158	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+K"	38.963158
"1550520"	254.990158	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+K"	38.963158
"310253"	236.012217	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+H+K"	39.970434
"704860"	344.025717	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+H+K"	39.970434
"1460383"	127.998717	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H+K"	39.970434
"248739"	474.087826	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+ACN+H"	42.033826
"1222905"	258.060826	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+ACN+H"	42.033826
"1203510"	129.534051	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+ACN+2H"	43.041102
"195285"	477.02516	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+2Na-H"	44.97116
"634848"	693.05216	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+2Na-H"	44.97116
"1132886"	260.99816	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2Na-H"	44.97116
"176905"	239.016218	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+2Na"	45.978436
"619019"	347.029718	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+2Na"	45.978436
"1121434"	131.002718	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2Na"	45.978436
"1408238"	87.670904	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H+2Na"	46.985712
"1440354"	263.039746	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H+HCOOH"	47.012746
"227863"	244.04924	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+3H2O+2H"	56.04448
"1519207"	277.09179	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+IsoProp+H"	61.06479
"420359"	247.003188	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+Na+K"	61.952376
"782816"	355.016688	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+Na+K"	61.952376
"1675135"	138.989688	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Na+K"	61.952376
"260558"	496.069768	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+ACN+Na"	64.015768
"1233269"	280.042768	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+ACN+Na"	64.015768
"1721061"	280.066293	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+NH4+HCOOH"	64.039293
"1186413"	94.998218	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+3Na"	68.967654
"1656307"	285.021688	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Na+HCOOH"	68.994688
"165358"	508.97304	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+2K-H"	76.91904
"606008"	725.00004	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+2K-H"	76.91904
"1092709"	292.94604	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2K-H"	76.91904
"155973"	254.990158	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"2M+2K"	77.926316
"594557"	363.003658	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"3M+2K"	77.926316
"1081867"	146.976658	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2K"	77.926316
"1114105"	294.960592	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2K+H"	78.933592
"1347575"	295.048207	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+DMSO+H"	79.021207
"1019383"	299.087376	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2ACN+H"	83.060376
"1537509"	300.081008	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+IsoProp+Na+H"	84.054008
"1002862"	150.047326	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+2ACN+2H"	84.067652
"1599551"	300.995628	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+K+HCOOH"	84.968628
"1428490"	331.027138	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+H+CF3COOH"	115.000138
"1157684"	170.560601	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+3ACN+2H"	125.094202
"1710516"	348.053685	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+NH4+CF3COOH"	132.026685
"1635230"	353.00908	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+Na+CF3COOH"	136.98208
"1571607"	368.98302	"C04052"	"5-Carboxy-2-oxohept-3-enedioate;5-Oxopent-3-ene-125-tricarboxylate"	"C8H8O7"	"216.027"	"M+K+CF3COOH"	152.95602
"804536"	176.0321	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M"	0
"976971"	157.01371	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"63756"	116.347457333333	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"505869"	175.024824	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"881483"	57.6700906666667	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"6621"	175.024824	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"448371"	263.040874	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"819245"	87.008774	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"89445"	351.056924	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"532286"	527.089024	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"908995"	175.024824	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"60093"	368.083471	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"493092"	544.115571	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"873080"	192.051371	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"39890"	373.038866	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"480543"	549.070966	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"858348"	197.006766	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1630069"	197.006766	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"108668"	193.013163	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"548472"	281.029213	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"938580"	104.997113	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"280908"	387.033602	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"674545"	563.065702	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1286827"	211.001502	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"28895"	389.012806	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"468454"	565.044906	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"844067"	212.980706	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1562087"	212.980706	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"946690"	221.030294	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"365999"	397.062401	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"349881"	411.078051	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1499812"	235.045951	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"969546"	243.012251	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"118454"	211.001502	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"559108"	299.017552	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1032281"	122.985452	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1254048"	254.950985	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1313216"	257.006972	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1325244"	278.988929	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"920676"	289.017686	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1296289"	324.994364	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1372264"	141.019424	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1388665"	159.0294	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"292727"	353.071476	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"679680"	529.103576	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1363689"	177.039376	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"138766"	177.039376	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"577236"	265.055426	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1047130"	89.023326	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"212845"	118.362009333333	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"649126"	177.039376	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1168344"	59.6846426666667	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"427607"	370.098023	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"793707"	546.130123	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1686755"	194.065923	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"335032"	185.5526495	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"734019"	273.5686995	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1485659"	97.5365995	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"398869"	375.053418	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"758768"	551.085518	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1605043"	199.021318	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"315566"	188.030347	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"711515"	276.046397	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1465335"	100.014297	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1059675"	67.0119566666667	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1269009"	209.065586	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"386490"	391.027358	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"744205"	567.059458	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1552454"	214.995258	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"310000"	196.017317	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"704243"	284.033367	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1459520"	108.001267	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"249213"	394.098026	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1223015"	218.065926	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1206896"	109.536601	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"190292"	397.03536	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"632771"	573.06746	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1132996"	221.00326	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"174828"	199.021318	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"614389"	287.037368	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1117165"	111.005268	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1400688"	74.3392706666667	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1433903"	223.044846	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"224692"	204.05434	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1512755"	237.09689	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"419740"	207.008288	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"781102"	295.024338	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1675241"	118.992238	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"260668"	416.079968	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1233379"	240.047868	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1721171"	240.071393	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1185429"	81.6665846666667	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1657510"	245.026788	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"165466"	428.98324	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"606117"	605.01534	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1092819"	252.95114	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"155719"	214.995258	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"595760"	303.011308	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1082462"	126.979208	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1113485"	254.965692	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1348776"	255.053307	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1019493"	259.092476	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1538347"	260.086108	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"1000785"	130.049876	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1592006"	261.000728	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1416572"	291.032238	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1154515"	150.563151	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1698599"	308.058785	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1634366"	313.01418	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1571354"	328.98812	"C04053"	"5-Dehydro-4-deoxy-D-glucuronate;4-Deoxy-L-threo-5-hexosulose uronate"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"810114"	1317.5358	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M"	0
"974898"	1298.51741	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-H2O-H"	-19.01839
"74074"	877.349924	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M-3H"	-3.021828
"507073"	1316.528524	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M-3H"	-3.021828
"883781"	438.171324	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-3H"	-3.021828
"5638"	1316.528524	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M-2H"	-2.014552
"447384"	1975.296424	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M-2H"	-2.014552
"820814"	657.760624	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-2H"	-2.014552
"89556"	2634.064324	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M-H"	-1.007276
"530210"	3951.600124	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M-H"	-1.007276
"906919"	1316.528524	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-H"	-1.007276
"61296"	2651.090871	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M-2H+NH4"	16.019271
"495388"	3968.626671	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M-2H+NH4"	16.019271
"870273"	1333.555071	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-2H+NH4"	16.019271
"42552"	2656.046266	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M-2H+Na"	20.974666
"482840"	3973.582066	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M-2H+Na"	20.974666
"859552"	1338.510466	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-2H+Na"	20.974666
"1632002"	1338.510466	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Na-2H"	20.974666
"109151"	1334.516863	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M-H+Cl"	33.962126
"549392"	1993.284763	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M-H+Cl"	33.962126
"940149"	675.748963	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-H+Cl"	33.962126
"281382"	2670.041002	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+Cl"	34.969402
"675382"	3987.576802	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+Cl"	34.969402
"1286084"	1352.505202	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Cl"	34.969402
"28640"	2672.020206	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M-2H+K"	36.948606
"468562"	3989.556006	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M-2H+K"	36.948606
"840896"	1354.484406	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-2H+K"	36.948606
"1562197"	1354.484406	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+K-2H"	36.948606
"951176"	1362.533994	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-H+HCOOH"	44.998194
"367203"	2680.069801	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+HCOOH-H"	44.998201
"348897"	2694.085451	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+Hac-H"	59.013851
"1503202"	1376.549651	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Hac-H"	59.013851
"971844"	1384.515951	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-H+NaCOOH"	66.980151
"122940"	1352.505202	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+2Cl"	69.938804
"565417"	2011.273102	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+2Cl"	69.938804
"1031300"	693.737302	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2Cl"	69.938804
"1253064"	1396.454685	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Br"	78.918885
"1313326"	1398.510672	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Cl+HCOOH"	80.974872
"1328634"	1420.492629	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Cl+NaCOOH"	102.956829
"918598"	1430.521386	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M-H+CF3COOH"	112.985586
"1299680"	1466.498064	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Cl+CF3COOH"	148.962264
"1375656"	1282.523124	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H-2H2O"	-35.012676
"1393151"	1300.5331	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H-H2O"	-17.0027
"292841"	2636.078876	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+H"	1.007276
"680519"	3953.614676	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+H"	1.007276
"1363436"	1318.543076	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H"	1.007276
"137784"	1318.543076	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+2H"	2.014552
"575158"	1977.310976	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+2H"	2.014552
"1046147"	659.775176	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2H"	2.014552
"212954"	879.364476	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+3H"	3.021828
"650329"	1318.543076	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+3H"	3.021828
"1170641"	440.185876	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+3H"	3.021828
"433913"	2653.105423	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+NH4"	18.033823
"794909"	3970.641223	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+NH4"	18.033823
"1687959"	1335.569623	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+NH4"	18.033823
"333322"	1327.0563495	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+H+NH4"	19.041099
"734129"	1985.8242495	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+H+NH4"	19.041099
"1489047"	668.2884495	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H+NH4"	19.041099
"404445"	2658.060818	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+Na"	22.989218
"764347"	3975.596618	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+Na"	22.989218
"1606979"	1340.525018	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Na"	22.989218
"318109"	1329.534047	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+H+Na"	23.996494
"715999"	1988.301947	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+H+Na"	23.996494
"1466538"	670.766147	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H+Na"	23.996494
"1061972"	447.51319	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2H+Na"	25.00377
"1272157"	1350.569286	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+CH3OH+H"	33.033486
"390974"	2674.034758	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+K"	38.963158
"750875"	3991.570558	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+K"	38.963158
"1554752"	1356.498958	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+K"	38.963158
"310107"	1337.521017	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+H+K"	39.970434
"705447"	1996.288917	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+H+K"	39.970434
"1460969"	678.753117	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H+K"	39.970434
"250783"	2677.105426	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+ACN+H"	42.033826
"1223125"	1359.569626	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+ACN+H"	42.033826
"1203727"	680.288451	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+ACN+2H"	43.041102
"190767"	2680.04276	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+2Na-H"	44.97116
"632881"	3997.57856	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+2Na-H"	44.97116
"1136388"	1362.50696	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2Na-H"	44.97116
"178584"	1340.525018	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+2Na"	45.978436
"615958"	1999.292918	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+2Na"	45.978436
"1118368"	681.757118	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2Na"	45.978436
"1401162"	454.840504	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H+2Na"	46.985712
"1435102"	1364.548546	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H+HCOOH"	47.012746
"226982"	1345.55804	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+3H2O+2H"	56.04448
"1512862"	1378.60059	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+IsoProp+H"	61.06479
"419116"	1348.511988	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+Na+K"	61.952376
"781207"	2007.279888	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+Na+K"	61.952376
"1675351"	689.744088	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Na+K"	61.952376
"260778"	2699.087368	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+ACN+Na"	64.015768
"1233485"	1381.551568	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+ACN+Na"	64.015768
"1721279"	1381.575093	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+NH4+HCOOH"	64.039293
"1186632"	462.167818	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+3Na"	68.967654
"1658712"	1386.530488	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Na+HCOOH"	68.994688
"165576"	2711.99064	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+2K-H"	76.91904
"607320"	4029.52644	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+2K-H"	76.91904
"1092929"	1394.45484	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2K-H"	76.91904
"156313"	1356.498958	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"2M+2K"	77.926316
"596361"	2015.266858	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"3M+2K"	77.926316
"1084039"	697.731058	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2K"	77.926316
"1115451"	1396.469392	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2K+H"	78.933592
"1350466"	1396.557007	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+DMSO+H"	79.021207
"1021063"	1400.596176	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2ACN+H"	83.060376
"1539186"	1401.589808	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+IsoProp+Na+H"	84.054008
"1001988"	700.801726	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+2ACN+2H"	84.067652
"1592116"	1402.504428	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+K+HCOOH"	84.968628
"1419963"	1432.535938	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+H+CF3COOH"	115.000138
"1154625"	721.315001	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+3ACN+2H"	125.094202
"1699802"	1449.562485	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+NH4+CF3COOH"	132.026685
"1635088"	1454.51788	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+Na+CF3COOH"	136.98208
"1571330"	1470.49182	"C04054"	"5-Hydroxybenzimidazolylcob(I)amide"	"C60H85CoN13O15P"	"1317.5358"	"M+K+CF3COOH"	152.95602
"811315"	280.2402	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M"	0
"979381"	261.22181	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H2O-H"	-19.01839
"70904"	185.819524	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-3H"	-3.021828
"508276"	279.232924	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-3H"	-3.021828
"886079"	92.406124	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-3H"	-3.021828
"5747"	279.232924	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H"	-2.014552
"449681"	419.353024	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H"	-2.014552
"826392"	139.112824	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H"	-2.014552
"89666"	559.473124	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-H"	-1.007276
"529226"	839.713324	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-H"	-1.007276
"908122"	279.232924	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H"	-1.007276
"61893"	576.499671	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H+NH4"	16.019271
"490758"	856.739871	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H+NH4"	16.019271
"870019"	296.259471	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H+NH4"	16.019271
"44483"	581.455066	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H+Na"	20.974666
"481856"	861.695266	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H+Na"	20.974666
"859661"	301.214866	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H+Na"	20.974666
"1630289"	301.214866	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na-2H"	20.974666
"109956"	297.221263	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-H+Cl"	33.962126
"549895"	437.341363	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-H+Cl"	33.962126
"941352"	157.101163	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+Cl"	33.962126
"282342"	595.449802	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Cl"	34.969402
"675456"	875.690002	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+Cl"	34.969402
"1284370"	315.209602	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl"	34.969402
"29114"	597.429006	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M-2H+K"	36.948606
"468672"	877.669206	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M-2H+K"	36.948606
"841006"	317.188806	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-2H+K"	36.948606
"1560120"	317.188806	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K-2H"	36.948606
"949097"	325.238394	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+HCOOH"	44.998194
"365490"	605.478601	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+HCOOH-H"	44.998201
"348278"	619.494251	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Hac-H"	59.013851
"1502219"	339.254051	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Hac-H"	59.013851
"969765"	347.220351	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+NaCOOH"	66.980151
"125236"	315.209602	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2Cl"	69.938804
"564799"	455.329702	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2Cl"	69.938804
"1034690"	175.089502	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2Cl"	69.938804
"1254267"	359.159085	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Br"	78.918885
"1315622"	361.215072	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl+HCOOH"	80.974872
"1329837"	383.197029	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl+NaCOOH"	102.956829
"918708"	393.225786	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M-H+CF3COOH"	112.985586
"1301977"	429.202464	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Cl+CF3COOH"	148.962264
"1381962"	245.227524	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H-2H2O"	-35.012676
"1395447"	263.2375	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H-H2O"	-17.0027
"296227"	561.487676	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H"	1.007276
"683181"	841.727876	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H"	1.007276
"1362818"	281.247476	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H"	1.007276
"135709"	281.247476	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2H"	2.014552
"577821"	421.367576	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2H"	2.014552
"1049174"	141.127376	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2H"	2.014552
"214889"	187.834076	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+3H"	3.021828
"653721"	281.247476	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+3H"	3.021828
"1170755"	94.420676	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+3H"	3.021828
"434024"	578.514223	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+NH4"	18.033823
"796114"	858.754423	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+NH4"	18.033823
"1690255"	298.274023	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+NH4"	18.033823
"336347"	289.7607495	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H+NH4"	19.041099
"729863"	429.8808495	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H+NH4"	19.041099
"1490252"	149.6406495	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+NH4"	19.041099
"402372"	583.469618	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Na"	22.989218
"763365"	863.709818	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+Na"	22.989218
"1611461"	303.229418	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na"	22.989218
"321499"	292.238447	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H+Na"	23.996494
"715016"	432.358547	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H+Na"	23.996494
"1467743"	152.118347	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+Na"	23.996494
"1060988"	101.74799	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2H+Na"	25.00377
"1267040"	313.273686	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+CH3OH+H"	33.033486
"386709"	599.443558	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+K"	38.963158
"752078"	879.683758	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+K"	38.963158
"1550851"	319.203358	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K"	38.963158
"309122"	300.225417	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+H+K"	39.970434
"704824"	440.345517	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+H+K"	39.970434
"1459739"	160.105317	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+K"	39.970434
"250284"	602.514226	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+ACN+H"	42.033826
"1223234"	322.274026	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+ACN+H"	42.033826
"1207119"	161.640651	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+ACN+2H"	43.041102
"193430"	605.45156	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2Na-H"	44.97116
"631532"	885.69176	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2Na-H"	44.97116
"1137591"	325.21136	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2Na-H"	44.97116
"178694"	303.229418	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2Na"	45.978436
"618255"	443.349518	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2Na"	45.978436
"1119936"	163.109318	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2Na"	45.978436
"1402003"	109.075304	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+2Na"	46.985712
"1440679"	327.252946	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+HCOOH"	47.012746
"228187"	308.26244	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+3H2O+2H"	56.04448
"1512241"	341.30499	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+H"	61.06479
"417038"	311.216388	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+Na+K"	61.952376
"779129"	451.336488	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+Na+K"	61.952376
"1673273"	171.096288	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na+K"	61.952376
"260887"	624.496168	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+ACN+Na"	64.015768
"1233595"	344.255968	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+ACN+Na"	64.015768
"1722482"	344.279493	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+NH4+HCOOH"	64.039293
"1190023"	116.402618	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+3Na"	68.967654
"1662107"	349.234888	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na+HCOOH"	68.994688
"167875"	637.39944	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2K-H"	76.91904
"610714"	917.63964	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2K-H"	76.91904
"1094132"	357.15924	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2K-H"	76.91904
"155204"	319.203358	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"2M+2K"	77.926316
"595862"	459.323458	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"3M+2K"	77.926316
"1082320"	179.083258	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2K"	77.926316
"1112613"	359.173792	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2K+H"	78.933592
"1346810"	359.261407	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+DMSO+H"	79.021207
"1019473"	363.300576	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2ACN+H"	83.060376
"1537838"	364.294208	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+Na+H"	84.054008
"1001005"	182.153926	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+2ACN+2H"	84.067652
"1597693"	365.208828	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K+HCOOH"	84.968628
"1424447"	395.240338	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+H+CF3COOH"	115.000138
"1154735"	202.667201	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+3ACN+2H"	125.094202
"1702100"	412.266885	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+NH4+CF3COOH"	132.026685
"1636657"	417.22228	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+Na+CF3COOH"	136.98208
"1571455"	433.19622	"C04056"	"9-cis11-trans-Octadecadienoate;(9Z11E)-Octadecadienoic acid"	"C18H32O2"	"280.2402"	"M+K+CF3COOH"	152.95602
"811425"	916.0146	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M"	0
"974831"	896.99621	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-H2O-H"	-19.01839
"65547"	609.669124	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M-3H"	-3.021828
"507293"	915.007324	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M-3H"	-3.021828
"884001"	304.330924	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-3H"	-3.021828
"4764"	915.007324	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M-2H"	-2.014552
"445417"	1373.014624	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M-2H"	-2.014552
"824315"	457.000024	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-2H"	-2.014552
"89776"	1831.021924	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M-H"	-1.007276
"528243"	2747.036524	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M-H"	-1.007276
"907138"	915.007324	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-H"	-1.007276
"61516"	1848.048471	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M-2H+NH4"	16.019271
"490141"	2764.063071	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M-2H+NH4"	16.019271
"869399"	932.033871	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-2H+NH4"	16.019271
"43500"	1853.003866	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M-2H+Na"	20.974666
"477591"	2769.018466	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M-2H+Na"	20.974666
"859772"	936.989266	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-2H+Na"	20.974666
"1630398"	936.989266	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Na-2H"	20.974666
"109120"	932.995663	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M-H+Cl"	33.962126
"549816"	1391.002963	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M-H+Cl"	33.962126
"938910"	474.988363	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-H+Cl"	33.962126
"281115"	1866.998602	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+Cl"	34.969402
"674752"	2783.013202	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+Cl"	34.969402
"1283387"	950.984002	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Cl"	34.969402
"27766"	1868.977806	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M-2H+K"	36.948606
"469875"	2784.992406	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M-2H+K"	36.948606
"841116"	952.963206	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-2H+K"	36.948606
"1559137"	952.963206	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+K-2H"	36.948606
"949207"	961.012794	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-H+HCOOH"	44.998194
"365600"	1877.027401	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+HCOOH-H"	44.998201
"349117"	1891.043051	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+Hac-H"	59.013851
"1500510"	975.028451	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Hac-H"	59.013851
"968782"	982.994751	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-H+NaCOOH"	66.980151
"125226"	950.984002	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+2Cl"	69.938804
"564908"	1408.991302	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+2Cl"	69.938804
"1035893"	492.976702	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2Cl"	69.938804
"1253283"	994.933485	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Br"	78.918885
"1317919"	996.989472	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Cl+HCOOH"	80.974872
"1329948"	1018.971429	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Cl+NaCOOH"	102.956829
"924651"	1029.000186	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M-H+CF3COOH"	112.985586
"1299900"	1064.976864	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Cl+CF3COOH"	148.962264
"1380978"	881.001924	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H-2H2O"	-35.012676
"1394464"	899.0119	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H-H2O"	-17.0027
"296337"	1833.036476	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+H"	1.007276
"680375"	2749.051076	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+H"	1.007276
"1364386"	917.021876	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H"	1.007276
"135820"	917.021876	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+2H"	2.014552
"572100"	1375.029176	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+2H"	2.014552
"1043089"	459.014576	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2H"	2.014552
"213177"	611.683676	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+3H"	3.021828
"652740"	917.021876	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+3H"	3.021828
"1171957"	306.345476	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+3H"	3.021828
"430855"	1850.063023	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+NH4"	18.033823
"791850"	2766.077623	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+NH4"	18.033823
"1688178"	934.048423	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+NH4"	18.033823
"336457"	925.5351495	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+H+NH4"	19.041099
"727786"	1383.5424495	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+H+NH4"	19.041099
"1491456"	467.5278495	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H+NH4"	19.041099
"403575"	1855.018418	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+Na"	22.989218
"763476"	2771.033018	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+Na"	22.989218
"1611572"	939.003818	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Na"	22.989218
"322703"	928.012847	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+H+Na"	23.996494
"715126"	1386.020147	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+H+Na"	23.996494
"1467853"	470.005547	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H+Na"	23.996494
"1061098"	313.67279	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2H+Na"	25.00377
"1268243"	949.048086	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+CH3OH+H"	33.033486
"387913"	1870.992358	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+K"	38.963158
"750002"	2787.006958	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+K"	38.963158
"1549868"	954.977758	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+K"	38.963158
"310325"	935.999817	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+H+K"	39.970434
"704934"	1394.007117	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+H+K"	39.970434
"1458756"	477.992517	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H+K"	39.970434
"250962"	1874.063026	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+ACN+H"	42.033826
"1222249"	958.048426	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+ACN+H"	42.033826
"1206136"	479.527851	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+ACN+2H"	43.041102
"192445"	1877.00036	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+2Na-H"	44.97116
"631277"	2793.01496	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+2Na-H"	44.97116
"1133325"	960.98576	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2Na-H"	44.97116
"180990"	939.003818	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+2Na"	45.978436
"621643"	1397.011118	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+2Na"	45.978436
"1119682"	480.996518	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2Na"	45.978436
"1399682"	321.000104	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H+2Na"	46.985712
"1431313"	963.027346	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H+HCOOH"	47.012746
"221737"	944.03684	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+3H2O+2H"	56.04448
"1510530"	977.07939	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+IsoProp+H"	61.06479
"421526"	946.990788	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+Na+K"	61.952376
"780334"	1404.998088	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+Na+K"	61.952376
"1675571"	488.983488	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Na+K"	61.952376
"259904"	1896.044968	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+ACN+Na"	64.015768
"1232609"	980.030368	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+ACN+Na"	64.015768
"1721498"	980.053893	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+NH4+HCOOH"	64.039293
"1189040"	328.327418	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+3Na"	68.967654
"1658935"	985.009288	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Na+HCOOH"	68.994688
"169078"	1908.94824	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+2K-H"	76.91904
"609731"	2824.96284	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+2K-H"	76.91904
"1094239"	992.93364	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2K-H"	76.91904
"152155"	954.977758	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"2M+2K"	77.926316
"595847"	1412.985058	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"3M+2K"	77.926316
"1083849"	496.970458	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2K"	77.926316
"1112722"	994.948192	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2K+H"	78.933592
"1348013"	995.035807	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+DMSO+H"	79.021207
"1020188"	999.074976	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2ACN+H"	83.060376
"1537464"	1000.068608	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+IsoProp+Na+H"	84.054008
"1000021"	500.041126	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+2ACN+2H"	84.067652
"1596710"	1000.983228	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+K+HCOOH"	84.968628
"1423464"	1031.014738	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+H+CF3COOH"	115.000138
"1158125"	520.554401	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+3ACN+2H"	125.094202
"1702210"	1048.041285	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+NH4+CF3COOH"	132.026685
"1636767"	1052.99668	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+Na+CF3COOH"	136.98208
"1572052"	1068.97062	"C04058"	"Bis(5-adenosyl) pentaphosphate;P1P5-Bis(5-adenosyl)pentaphosphate"	"C20H29N10O22P5"	"916.0146"	"M+K+CF3COOH"	152.95602
"801696"	339.996	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"974496"	320.97761	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"66749"	225.656724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"505219"	338.988724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"886301"	112.324724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"1595"	338.988724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"451000"	508.986724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"823333"	168.990724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"93047"	678.984724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"532732"	1018.980724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"910534"	338.988724	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"55067"	696.011271	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"489522"	1036.007271	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"871338"	356.015271	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"43610"	700.966666	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"482079"	1040.962666	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"857694"	360.970666	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1623948"	360.970666	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"104852"	356.977063	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"549316"	526.975063	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"941210"	186.979063	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"281589"	714.961402	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"675433"	1054.957402	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1286415"	374.965402	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"27146"	716.940606	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"468529"	1056.936606	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"834667"	376.944606	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1561435"	376.944606	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"950412"	384.994194	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"366805"	724.990201	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"354706"	739.005851	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1504633"	399.009851	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"973879"	406.976151	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"123268"	374.965402	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"564651"	544.963402	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1035275"	204.967402	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1252301"	418.914885	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1316936"	420.970872	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1333336"	442.952829	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"922207"	452.981586	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1296729"	488.958264	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1372703"	304.983324	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1394574"	322.9933	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"293168"	680.999276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"687781"	1020.995276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1361943"	341.003276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"137021"	341.003276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"573303"	511.001276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1044292"	171.005276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"214378"	227.671276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"655032"	341.003276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1172064"	114.339276	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"437887"	698.025823	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"793054"	1038.021823	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1691205"	358.029823	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"339848"	349.5165495	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"733371"	519.5145495	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1487191"	179.5185495	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"397122"	702.981218	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"758116"	1042.977218	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1611682"	362.985218	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"319535"	351.994247	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"711956"	521.992247	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1465776"	181.996247	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1057927"	121.66659	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1271394"	373.029486	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"390207"	718.955158	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"751205"	1058.951158	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1553256"	378.959158	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"312863"	359.981217	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"702855"	529.979217	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1458133"	189.983217	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"248194"	722.025826	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1221998"	382.029826	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1198953"	191.518551	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"189636"	724.96316	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"631384"	1064.95916	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1136716"	384.96716	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"176722"	362.985218	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"617375"	532.983218	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1118328"	192.987218	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1402216"	128.993904	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1434699"	387.008746	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"221482"	368.01824	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1512100"	401.06079	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"412884"	370.972188	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"780443"	540.970188	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1676774"	200.974188	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"257825"	744.007768	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1232718"	404.011768	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1717231"	404.035293	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1185865"	136.321218	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1656852"	408.990688	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"166997"	756.91104	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"605467"	1096.90704	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1093261"	416.91504	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"152263"	378.959158	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"596326"	548.957158	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1082780"	208.961158	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1113922"	418.929592	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1348119"	419.017207	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1017743"	423.056376	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1535870"	424.050008	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"1001224"	212.031826	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1594634"	424.964628	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1426854"	454.996138	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1158235"	232.545101	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1700134"	472.022685	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1636877"	476.97808	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1575811"	492.95202	"C04062"	"D-myo-Inositol 13-bisphosphate;1D-myo-Inositol 13-bisphosphate;myo-Inositol 13-bisphosphate;Inositol 13-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"805086"	339.996	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"976065"	320.97761	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"66859"	225.656724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"505329"	338.988724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"883131"	112.324724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"3892"	338.988724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"451109"	508.986724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"824536"	168.990724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"86717"	678.984724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"529559"	1018.980724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"905173"	338.988724	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"57364"	696.011271	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"490362"	1036.007271	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"871448"	356.015271	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"43721"	700.966666	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"482191"	1040.962666	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"861086"	360.970666	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1624058"	360.970666	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"104962"	356.977063	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"548897"	526.975063	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"940955"	186.979063	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"279877"	714.961402	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"673393"	1054.957402	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1283609"	374.965402	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"26163"	716.940606	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"467910"	1056.936606	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"835870"	376.944606	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1560452"	376.944606	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"946149"	384.994194	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"366551"	724.990201	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"352627"	739.005851	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1501461"	399.009851	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"969003"	406.976151	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"123378"	374.965402	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"564397"	544.963402	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1031736"	204.967402	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1252411"	418.914885	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1314859"	420.970872	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1329073"	442.952829	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"917944"	452.981586	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1290278"	488.958264	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1367257"	304.983324	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1389216"	322.9933	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"284043"	680.999276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"684609"	1020.995276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1358772"	341.003276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"134943"	341.003276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"573411"	511.001276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1048408"	171.005276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"214488"	227.671276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"656235"	341.003276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1173268"	114.339276	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"438725"	698.025823	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"792071"	1038.021823	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1692772"	358.029823	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"338865"	349.5165495	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"736765"	519.5145495	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1488397"	179.5185495	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"402698"	702.981218	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"760413"	1042.977218	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1615072"	362.985218	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"324019"	351.994247	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"713159"	521.992247	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1465886"	181.996247	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1059130"	121.66659	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1270653"	373.029486	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"389953"	718.955158	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"751315"	1058.951158	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1551180"	378.959158	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"312366"	359.981217	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"702965"	529.979217	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1457515"	189.983217	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"250010"	722.025826	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1221379"	382.029826	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1200157"	191.518551	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"189746"	724.96316	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"633317"	1064.95916	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1136824"	384.96716	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"178292"	362.985218	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"617850"	532.983218	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1119531"	192.987218	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1402327"	128.993904	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1432623"	387.008746	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"224145"	368.01824	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1509655"	401.06079	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"410797"	370.972188	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"772158"	540.970188	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1672510"	200.974188	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"256838"	744.007768	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1228817"	404.011768	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1716247"	404.035293	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1181602"	136.321218	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1654774"	408.990688	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"164920"	756.91104	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"606670"	1096.90704	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1091183"	416.91504	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"153468"	378.959158	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"596194"	548.957158	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1083499"	208.961158	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1114521"	418.929592	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1349323"	419.017207	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1015666"	423.056376	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1534885"	424.050008	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"1000240"	212.031826	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1594744"	424.964628	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1424777"	454.996138	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1155065"	232.545101	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1699151"	472.022685	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1635163"	476.97808	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1575921"	492.95202	"C04063"	"D-myo-Inositol 34-bisphosphate;1D-myo-Inositol 34-bisphosphate;Inositol 34-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"804102"	339.996	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"977632"	320.97761	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"66239"	225.656724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"506532"	338.988724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"885427"	112.324724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"5095"	338.988724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"445752"	508.986724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"825738"	168.990724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"87920"	678.984724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"533439"	1018.980724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"910146"	338.988724	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"58567"	696.011271	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"493752"	1036.007271	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"871558"	356.015271	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"44802"	700.966666	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"483394"	1040.962666	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"860103"	360.970666	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1627448"	360.970666	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"103978"	356.977063	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"549129"	526.975063	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"938147"	186.979063	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"279623"	714.961402	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"673138"	1054.957402	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1281530"	374.965402	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"28459"	716.940606	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"465832"	1056.936606	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"835980"	376.944606	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1559469"	376.944606	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"947352"	384.994194	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"366661"	724.990201	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"357109"	739.005851	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1505943"	399.009851	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"971300"	406.976151	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"121302"	374.965402	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"563047"	544.963402	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1030751"	204.967402	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1252521"	418.914885	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1317155"	420.970872	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1329183"	442.952829	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"918054"	452.981586	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1291481"	488.958264	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1368059"	304.983324	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1390419"	322.9933	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"286097"	680.999276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"684719"	1020.995276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1357788"	341.003276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"132866"	341.003276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"570236"	511.001276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1042317"	171.005276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"211317"	227.671276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"657438"	341.003276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1176293"	114.339276	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"434461"	698.025823	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"795460"	1038.021823	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1692882"	358.029823	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"340068"	349.5165495	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"736513"	519.5145495	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1490692"	179.5185495	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"406090"	702.981218	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"767812"	1042.977218	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1615182"	362.985218	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"325222"	351.994247	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"715456"	521.992247	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1474744"	181.996247	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1063614"	121.66659	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1272425"	373.029486	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"390063"	718.955158	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"751423"	1058.951158	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1552383"	378.959158	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"312840"	359.981217	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"703804"	529.979217	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1459446"	189.983217	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"248413"	722.025826	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1219303"	382.029826	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1198446"	191.518551	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"191316"	724.96316	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"631970"	1064.95916	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1134383"	384.96716	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"178402"	362.985218	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"619418"	532.983218	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1120005"	192.987218	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1402801"	128.993904	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1434191"	387.008746	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"223886"	368.01824	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1511216"	401.06079	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"411270"	370.972188	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"771901"	540.970188	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1672620"	200.974188	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"256948"	744.007768	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1228197"	404.011768	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1715991"	404.035293	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1182805"	136.321218	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1654884"	408.990688	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"166123"	756.91104	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"603501"	1096.90704	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1090201"	416.91504	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"153579"	378.959158	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"596628"	548.957158	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1083489"	208.961158	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1113050"	418.929592	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1346153"	419.017207	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1015776"	423.056376	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1537182"	424.050008	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"999256"	212.031826	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1599225"	424.964628	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1428167"	454.996138	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1158455"	232.545101	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1699261"	472.022685	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1638187"	476.97808	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1574938"	492.95202	"C04064"	"D-myo-Inositol 45-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"805306"	202.0841	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M"	0
"974949"	183.06571	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-H2O-H"	-19.01839
"64892"	133.715457333333	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M-3H"	-3.021828
"506642"	201.076824	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M-3H"	-3.021828
"883351"	66.3540906666667	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-3H"	-3.021828
"4112"	201.076824	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M-2H"	-2.014552
"446955"	302.118874	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M-2H"	-2.014552
"824755"	100.034774	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-2H"	-2.014552
"86936"	403.160924	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M-H"	-1.007276
"530872"	605.245024	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M-H"	-1.007276
"905393"	201.076824	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-H"	-1.007276
"51749"	420.187471	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M-2H+NH4"	16.019271
"490945"	622.271571	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M-2H+NH4"	16.019271
"872758"	218.103371	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-2H+NH4"	16.019271
"34825"	425.142866	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M-2H+Na"	20.974666
"485688"	627.226966	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M-2H+Na"	20.974666
"863493"	223.058766	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-2H+Na"	20.974666
"1624278"	223.058766	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Na-2H"	20.974666
"104087"	219.065163	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M-H+Cl"	33.962126
"549239"	320.107213	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M-H+Cl"	33.962126
"934977"	118.023113	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-H+Cl"	33.962126
"280462"	439.137602	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+Cl"	34.969402
"673977"	641.221702	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+Cl"	34.969402
"1284920"	237.053502	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Cl"	34.969402
"25289"	441.116806	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M-2H+K"	36.948606
"464849"	643.200906	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M-2H+K"	36.948606
"838277"	239.032706	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-2H+K"	36.948606
"1558485"	239.032706	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+K-2H"	36.948606
"947462"	247.082294	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-H+HCOOH"	44.998194
"367864"	449.166401	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+HCOOH-H"	44.998201
"357219"	463.182051	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+Hac-H"	59.013851
"1507146"	261.097951	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Hac-H"	59.013851
"972139"	269.064251	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-H+NaCOOH"	66.980151
"121778"	237.053502	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+2Cl"	69.938804
"563157"	338.095552	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+2Cl"	69.938804
"1031954"	136.011452	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2Cl"	69.938804
"1251176"	281.002985	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Br"	78.918885
"1313987"	283.058972	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Cl+HCOOH"	80.974872
"1329293"	305.040929	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Cl+NaCOOH"	102.956829
"918164"	315.069686	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M-H+CF3COOH"	112.985586
"1291226"	351.046364	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Cl+CF3COOH"	148.962264
"1367684"	167.071424	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H-2H2O"	-35.012676
"1389436"	185.0814	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H-H2O"	-17.0027
"286937"	405.175476	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+H"	1.007276
"684829"	607.259576	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+H"	1.007276
"1361177"	203.091376	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H"	1.007276
"126897"	203.091376	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+2H"	2.014552
"568158"	304.133426	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+2H"	2.014552
"1039875"	102.049326	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2H"	2.014552
"211427"	135.730009333333	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+3H"	3.021828
"655362"	203.091376	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+3H"	3.021828
"1174580"	68.3686426666667	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+3H"	3.021828
"431291"	422.202023	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+NH4"	18.033823
"791198"	624.286123	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+NH4"	18.033823
"1690806"	220.117923	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+NH4"	18.033823
"336898"	211.6046495	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+H+NH4"	19.041099
"738285"	312.6466995	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+H+NH4"	19.041099
"1491896"	110.5625995	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H+NH4"	19.041099
"406567"	427.157418	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+Na"	22.989218
"767196"	629.241518	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+Na"	22.989218
"1616386"	225.073318	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Na"	22.989218
"326426"	214.082347	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+H+Na"	23.996494
"718846"	315.124397	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+H+Na"	23.996494
"1472668"	113.040297	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H+Na"	23.996494
"1065911"	75.6959566666667	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2H+Na"	25.00377
"1268685"	235.117586	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+CH3OH+H"	33.033486
"388351"	443.131358	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+K"	38.963158
"750439"	645.215458	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+K"	38.963158
"1552491"	241.047258	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+K"	38.963158
"310034"	222.069317	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+H+K"	39.970434
"697717"	323.111367	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+H+K"	39.970434
"1455909"	121.027267	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H+K"	39.970434
"245606"	446.202026	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+ACN+H"	42.033826
"1223664"	244.117926	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+ACN+H"	42.033826
"1201109"	122.562601	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+ACN+2H"	43.041102
"191427"	449.13936	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+2Na-H"	44.97116
"632082"	651.22346	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+2Na-H"	44.97116
"1136317"	247.05526	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2Na-H"	44.97116
"175960"	225.073318	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+2Na"	45.978436
"616977"	326.115368	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+2Na"	45.978436
"1118658"	124.031268	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2Na"	45.978436
"1401089"	83.0232706666667	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H+2Na"	46.985712
"1431263"	249.096846	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H+HCOOH"	47.012746
"223268"	230.10634	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+3H2O+2H"	56.04448
"1510236"	263.14889	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+IsoProp+H"	61.06479
"411015"	233.060288	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+Na+K"	61.952376
"770918"	334.102338	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+Na+K"	61.952376
"1672730"	132.018238	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Na+K"	61.952376
"254143"	468.183968	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+ACN+Na"	64.015768
"1229038"	266.099868	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+ACN+Na"	64.015768
"1716467"	266.123393	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+NH4+HCOOH"	64.039293
"1179996"	90.3505846666667	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+3Na"	68.967654
"1654995"	271.078788	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Na+HCOOH"	68.994688
"161129"	481.08724	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+2K-H"	76.91904
"600695"	683.17134	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+2K-H"	76.91904
"1090310"	279.00314	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2K-H"	76.91904
"149315"	241.047258	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"2M+2K"	77.926316
"596577"	342.089308	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"3M+2K"	77.926316
"1083721"	140.005208	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2K"	77.926316
"1114011"	281.017692	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2K+H"	78.933592
"1346262"	281.105307	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+DMSO+H"	79.021207
"1016980"	285.144476	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2ACN+H"	83.060376
"1536198"	286.138108	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+IsoProp+Na+H"	84.054008
"1000459"	143.075876	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+2ACN+2H"	84.067652
"1594962"	287.052728	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+K+HCOOH"	84.968628
"1422811"	317.084238	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+H+CF3COOH"	115.000138
"1153098"	163.589151	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+3ACN+2H"	125.094202
"1702651"	334.110785	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+NH4+CF3COOH"	132.026685
"1635746"	339.06618	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+Na+CF3COOH"	136.98208
"1576141"	355.04012	"C04067"	"Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalpropionate;Butanedioic acid 2-methyl-3-oxo- 14-diethyl ester"	"C9H14O5"	"202.0841"	"M+K+CF3COOH"	152.95602
"805417"	532.1581	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M"	0
"978949"	513.13971	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-H2O-H"	-19.01839
"66095"	353.764790666667	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M-3H"	-3.021828
"506752"	531.150824	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M-3H"	-3.021828
"883459"	176.378757333333	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-3H"	-3.021828
"2397"	531.150824	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M-2H"	-2.014552
"440862"	797.229874	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M-2H"	-2.014552
"817937"	265.071774	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-2H"	-2.014552
"79265"	1063.308924	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M-H"	-1.007276
"519316"	1595.467024	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M-H"	-1.007276
"896751"	531.150824	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-H"	-1.007276
"50037"	1080.335471	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M-2H+NH4"	16.019271
"489353"	1612.493571	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M-2H+NH4"	16.019271
"871775"	548.177371	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-2H+NH4"	16.019271
"34935"	1085.290866	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M-2H+Na"	20.974666
"485798"	1617.448966	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M-2H+Na"	20.974666
"863238"	553.132766	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-2H+Na"	20.974666
"1627668"	553.132766	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Na-2H"	20.974666
"104197"	549.139163	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M-H+Cl"	33.962126
"539382"	815.218213	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M-H+Cl"	33.962126
"930710"	283.060113	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-H+Cl"	33.962126
"272548"	1099.285602	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+Cl"	34.969402
"672263"	1631.443702	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+Cl"	34.969402
"1281750"	567.127502	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Cl"	34.969402
"21024"	1101.264806	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M-2H+K"	36.948606
"457302"	1633.422906	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M-2H+K"	36.948606
"837294"	569.106706	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-2H+K"	36.948606
"1558595"	569.106706	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+K-2H"	36.948606
"947572"	577.156294	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-H+HCOOH"	44.998194
"364692"	1109.314401	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+HCOOH-H"	44.998201
"360248"	1123.330051	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+Hac-H"	59.013851
"1505074"	591.171951	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Hac-H"	59.013851
"970429"	599.138251	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-H+NaCOOH"	66.980151
"121159"	567.127502	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+2Cl"	69.938804
"562176"	833.206552	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+2Cl"	69.938804
"1033163"	301.048452	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2Cl"	69.938804
"1253107"	611.076985	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Br"	78.918885
"1316280"	613.132972	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Cl+HCOOH"	80.974872
"1328310"	635.114929	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Cl+NaCOOH"	102.956829
"917544"	645.143686	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M-H+CF3COOH"	112.985586
"1293522"	681.120364	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Cl+CF3COOH"	148.962264
"1367103"	497.145424	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H-2H2O"	-35.012676
"1385170"	515.1554	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H-H2O"	-17.0027
"287047"	1065.323476	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+H"	1.007276
"681658"	1597.481576	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+H"	1.007276
"1354727"	533.165376	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H"	1.007276
"129073"	533.165376	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+2H"	2.014552
"567175"	799.244426	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+2H"	2.014552
"1039621"	267.086326	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2H"	2.014552
"211536"	355.779342666667	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+3H"	3.021828
"652189"	533.165376	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+3H"	3.021828
"1171408"	178.393309333333	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+3H"	3.021828
"428119"	1082.350023	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+NH4"	18.033823
"788749"	1614.508123	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+NH4"	18.033823
"1686539"	550.191923	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+NH4"	18.033823
"334817"	541.6786495	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+H+NH4"	19.041099
"738022"	807.7576995	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+H+NH4"	19.041099
"1492647"	275.5995995	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H+NH4"	19.041099
"407040"	1087.305418	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+Na"	22.989218
"769128"	1619.463518	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+Na"	22.989218
"1617590"	555.147318	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Na"	22.989218
"327630"	544.156347	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+H+Na"	23.996494
"721143"	810.235397	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+H+Na"	23.996494
"1474601"	278.077297	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H+Na"	23.996494
"1066750"	185.720623333333	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2H+Na"	25.00377
"1270618"	565.191586	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+CH3OH+H"	33.033486
"389555"	1103.279358	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+K"	38.963158
"750549"	1635.437458	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+K"	38.963158
"1551874"	571.121258	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+K"	38.963158
"309780"	552.143317	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+H+K"	39.970434
"698921"	818.222367	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+H+K"	39.970434
"1456021"	286.064267	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H+K"	39.970434
"247903"	1106.350026	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+ACN+H"	42.033826
"1223531"	574.191926	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+ACN+H"	42.033826
"1200126"	287.599601	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+ACN+2H"	43.041102
"189958"	1109.28736	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+2Na-H"	44.97116
"630736"	1641.44546	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+2Na-H"	44.97116
"1136063"	577.12926	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2Na-H"	44.97116
"178258"	555.147318	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+2Na"	45.978436
"615021"	821.226368	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+2Na"	45.978436
"1118402"	289.068268	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2Na"	45.978436
"1405941"	193.047937333333	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H+2Na"	46.985712
"1431979"	579.170846	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H+HCOOH"	47.012746
"224468"	560.18034	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+3H2O+2H"	56.04448
"1509738"	593.22289	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+IsoProp+H"	61.06479
"410030"	563.134288	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+Na+K"	61.952376
"771147"	829.213338	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+Na+K"	61.952376
"1669558"	297.055238	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Na+K"	61.952376
"255346"	1128.331968	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+ACN+Na"	64.015768
"1226960"	596.173868	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+ACN+Na"	64.015768
"1712928"	596.197393	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+NH4+HCOOH"	64.039293
"1179011"	200.375251333333	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+3Na"	68.967654
"1653646"	601.152788	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Na+HCOOH"	68.994688
"160875"	1141.23524	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+2K-H"	76.91904
"601898"	1673.39334	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+2K-H"	76.91904
"1090420"	609.07714	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2K-H"	76.91904
"151612"	571.121258	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"2M+2K"	77.926316
"596159"	837.200308	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"3M+2K"	77.926316
"1081154"	305.042208	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2K"	77.926316
"1115093"	611.091692	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2K+H"	78.933592
"1345279"	611.179307	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+DMSO+H"	79.021207
"1015996"	615.218476	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2ACN+H"	83.060376
"1537402"	616.212108	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+IsoProp+Na+H"	84.054008
"1000570"	308.112876	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+2ACN+2H"	84.067652
"1597258"	617.126728	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+K+HCOOH"	84.968628
"1420733"	647.158238	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+H+CF3COOH"	115.000138
"1152115"	328.626151	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+3ACN+2H"	125.094202
"1702761"	664.184785	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+NH4+CF3COOH"	132.026685
"1635127"	669.14018	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+Na+CF3COOH"	136.98208
"1573335"	685.11412	"C04068"	"Flavonol 3-O-D-xylosylglucoside"	"C26H28O12"	"532.1581"	"M+K+CF3COOH"	152.95602
"812086"	532.1581	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M"	0
"976140"	513.13971	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-H2O-H"	-19.01839
"65476"	353.764790666667	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M-3H"	-3.021828
"505768"	531.150824	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M-3H"	-3.021828
"882476"	176.378757333333	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-3H"	-3.021828
"4329"	531.150824	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M-2H"	-2.014552
"447174"	797.229874	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M-2H"	-2.014552
"821694"	265.071774	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-2H"	-2.014552
"80955"	1063.308924	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M-H"	-1.007276
"519790"	1595.467024	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M-H"	-1.007276
"899415"	531.150824	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-H"	-1.007276
"55616"	1080.335471	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M-2H+NH4"	16.019271
"490801"	1612.493571	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M-2H+NH4"	16.019271
"878326"	548.177371	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-2H+NH4"	16.019271
"35412"	1085.290866	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M-2H+Na"	20.974666
"485423"	1617.448966	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M-2H+Na"	20.974666
"861528"	553.132766	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-2H+Na"	20.974666
"1629967"	553.132766	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Na-2H"	20.974666
"97749"	549.139163	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M-H+Cl"	33.962126
"541681"	815.218213	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M-H+Cl"	33.962126
"938476"	283.060113	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-H+Cl"	33.962126
"279219"	1099.285602	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+Cl"	34.969402
"667265"	1631.443702	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+Cl"	34.969402
"1281860"	567.127502	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Cl"	34.969402
"18947"	1101.264806	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M-2H+K"	36.948606
"460693"	1633.422906	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M-2H+K"	36.948606
"836310"	569.106706	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-2H+K"	36.948606
"1561984"	569.106706	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+K-2H"	36.948606
"946587"	577.156294	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-H+HCOOH"	44.998194
"364437"	1109.314401	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+HCOOH-H"	44.998201
"360356"	1123.330051	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+Hac-H"	59.013851
"1507975"	591.171951	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Hac-H"	59.013851
"973330"	599.138251	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-H+NaCOOH"	66.980151
"123819"	567.127502	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+2Cl"	69.938804
"563379"	833.206552	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+2Cl"	69.938804
"1035096"	301.048452	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2Cl"	69.938804
"1253942"	611.076985	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Br"	78.918885
"1318214"	613.132972	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Cl+HCOOH"	80.974872
"1330609"	635.114929	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Cl+NaCOOH"	102.956829
"916198"	645.143686	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M-H+CF3COOH"	112.985586
"1292539"	681.120364	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Cl+CF3COOH"	148.962264
"1367294"	497.145424	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H-2H2O"	-35.012676
"1389658"	515.1554	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H-H2O"	-17.0027
"289346"	1065.323476	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+H"	1.007276
"686145"	1597.481576	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+H"	1.007276
"1355930"	533.165376	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H"	1.007276
"127359"	533.165376	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+2H"	2.014552
"569475"	799.244426	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+2H"	2.014552
"1039731"	267.086326	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2H"	2.014552
"207268"	355.779342666667	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+3H"	3.021828
"646833"	533.165376	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+3H"	3.021828
"1163863"	178.393309333333	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+3H"	3.021828
"425310"	1082.350023	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+NH4"	18.033823
"788495"	1614.508123	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+NH4"	18.033823
"1686652"	550.191923	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+NH4"	18.033823
"337121"	541.6786495	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+H+NH4"	19.041099
"735013"	807.7576995	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+H+NH4"	19.041099
"1491025"	275.5995995	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H+NH4"	19.041099
"406789"	1087.305418	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+Na"	22.989218
"767783"	1619.463518	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+Na"	22.989218
"1615880"	555.147318	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Na"	22.989218
"327376"	544.156347	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+H+Na"	23.996494
"717610"	810.235397	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+H+Na"	23.996494
"1471065"	278.077297	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H+Na"	23.996494
"1066499"	185.720623333333	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2H+Na"	25.00377
"1271093"	565.191586	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+CH3OH+H"	33.033486
"386387"	1103.279358	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+K"	38.963158
"750662"	1635.437458	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+K"	38.963158
"1550164"	571.121258	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+K"	38.963158
"309525"	552.143317	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+H+K"	39.970434
"700855"	818.222367	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+H+K"	39.970434
"1458320"	286.064267	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H+K"	39.970434
"248749"	1106.350026	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+ACN+H"	42.033826
"1223886"	574.191926	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+ACN+H"	42.033826
"1199505"	287.599601	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+ACN+2H"	43.041102
"190555"	1109.28736	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+2Na-H"	44.97116
"635949"	1641.44546	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+2Na-H"	44.97116
"1139454"	577.12926	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2Na-H"	44.97116
"176184"	555.147318	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+2Na"	45.978436
"621211"	821.226368	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+2Na"	45.978436
"1124717"	289.068268	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2Na"	45.978436
"1401680"	193.047937333333	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H+2Na"	46.985712
"1434887"	579.170846	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H+HCOOH"	47.012746
"222396"	560.18034	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+3H2O+2H"	56.04448
"1509484"	593.22289	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+IsoProp+H"	61.06479
"410143"	563.134288	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+Na+K"	61.952376
"772959"	829.213338	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+Na+K"	61.952376
"1667481"	297.055238	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Na+K"	61.952376
"253272"	1128.331968	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+ACN+Na"	64.015768
"1226341"	596.173868	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+ACN+Na"	64.015768
"1715594"	596.197393	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+NH4+HCOOH"	64.039293
"1179488"	200.375251333333	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+3Na"	68.967654
"1654489"	601.152788	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Na+HCOOH"	68.994688
"169734"	1141.23524	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+2K-H"	76.91904
"607112"	1673.39334	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+2K-H"	76.91904
"1095999"	609.07714	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2K-H"	76.91904
"151722"	571.121258	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"2M+2K"	77.926316
"596389"	837.200308	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"3M+2K"	77.926316
"1081266"	305.042208	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2K"	77.926316
"1111194"	611.091692	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2K+H"	78.933592
"1351187"	611.179307	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+DMSO+H"	79.021207
"1020360"	615.218476	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2ACN+H"	83.060376
"1539458"	616.212108	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+IsoProp+Na+H"	84.054008
"1002867"	308.112876	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+2ACN+2H"	84.067652
"1598463"	617.126728	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+K+HCOOH"	84.968628
"1423029"	647.158238	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+H+CF3COOH"	115.000138
"1155505"	328.626151	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+3ACN+2H"	125.094202
"1707242"	664.184785	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+NH4+CF3COOH"	132.026685
"1643988"	669.14018	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+Na+CF3COOH"	136.98208
"1573808"	685.11412	"C04069"	"Flavonol 3-O-D-xylosylglycoside;Flavonol 3-O-D-xylosyl-(1-2)-beta-D-glycoside;Flavonol 3-beta-D-xylosyl-(1-2)-beta-D-glycoside"	"C26H28O12"	"532.1581"	"M+K+CF3COOH"	152.95602
"816454"	508.1945	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M"	0
"985730"	489.17611	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-H2O-H"	-19.01839
"65587"	337.789057333333	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M-3H"	-3.021828
"513534"	507.187224	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M-3H"	-3.021828
"886961"	168.390890666667	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-3H"	-3.021828
"2255"	507.187224	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M-2H"	-2.014552
"447284"	761.284474	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M-2H"	-2.014552
"821804"	253.089974	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-2H"	-2.014552
"80701"	1015.381724	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M-H"	-1.007276
"520020"	1523.576224	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M-H"	-1.007276
"899161"	507.187224	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-H"	-1.007276
"55726"	1032.408271	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M-2H+NH4"	16.019271
"489819"	1540.602771	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M-2H+NH4"	16.019271
"877102"	524.213771	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-2H+NH4"	16.019271
"35522"	1037.363666	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M-2H+Na"	20.974666
"485290"	1545.558166	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M-2H+Na"	20.974666
"860548"	529.169166	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-2H+Na"	20.974666
"1631171"	529.169166	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Na-2H"	20.974666
"107336"	525.175563	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M-H+Cl"	33.962126
"545072"	779.272813	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M-H+Cl"	33.962126
"938586"	271.078313	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-H+Cl"	33.962126
"276049"	1051.358402	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+Cl"	34.969402
"667375"	1559.552902	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+Cl"	34.969402
"1277590"	543.163902	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Cl"	34.969402
"19057"	1053.337606	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M-2H+K"	36.948606
"460803"	1561.532106	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M-2H+K"	36.948606
"834233"	545.143106	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-2H+K"	36.948606
"1559907"	545.143106	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+K-2H"	36.948606
"945604"	553.192694	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-H+HCOOH"	44.998194
"363089"	1061.387201	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+HCOOH-H"	44.998201
"360105"	1075.402851	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+Hac-H"	59.013851
"1507112"	567.208351	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Hac-H"	59.013851
"971742"	575.174651	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-H+NaCOOH"	66.980151
"124293"	543.163902	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+2Cl"	69.938804
"562033"	797.261152	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+2Cl"	69.938804
"1034842"	289.066652	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2Cl"	69.938804
"1253326"	587.113385	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Br"	78.918885
"1314318"	589.169372	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Cl+HCOOH"	80.974872
"1328528"	611.151329	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Cl+NaCOOH"	102.956829
"914120"	621.180086	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M-H+CF3COOH"	112.985586
"1291922"	657.156764	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Cl+CF3COOH"	148.962264
"1374459"	473.181824	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H-2H2O"	-35.012676
"1386489"	491.1918	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H-H2O"	-17.0027
"290551"	1017.396276	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+H"	1.007276
"687347"	1525.590776	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+H"	1.007276
"1356040"	509.201776	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H"	1.007276
"128197"	509.201776	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+2H"	2.014552
"571771"	763.299026	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+2H"	2.014552
"1040570"	255.104526	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2H"	2.014552
"207378"	339.803609333333	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+3H"	3.021828
"648036"	509.201776	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+3H"	3.021828
"1168349"	170.405442666667	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+3H"	3.021828
"429433"	1034.422823	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+NH4"	18.033823
"789334"	1542.617323	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+NH4"	18.033823
"1688951"	526.228323	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+NH4"	18.033823
"338325"	517.7150495	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+H+NH4"	19.041099
"734028"	771.8122995	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+H+NH4"	19.041099
"1491496"	263.6177995	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H+NH4"	19.041099
"407388"	1039.378218	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+Na"	22.989218
"768870"	1547.572718	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+Na"	22.989218
"1615263"	531.183718	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Na"	22.989218
"324206"	520.192747	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+H+Na"	23.996494
"716627"	774.289997	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+H+Na"	23.996494
"1472269"	266.095497	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H+Na"	23.996494
"1066733"	177.732756666667	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2H+Na"	25.00377
"1267922"	541.227986	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+CH3OH+H"	33.033486
"390507"	1055.352158	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+K"	38.963158
"753575"	1563.546658	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+K"	38.963158
"1554656"	547.157658	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+K"	38.963158
"312924"	528.179717	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+H+K"	39.970434
"702424"	782.276967	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+H+K"	39.970434
"1459773"	274.082467	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H+K"	39.970434
"249224"	1058.422826	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+ACN+H"	42.033826
"1221929"	550.228326	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+ACN+H"	42.033826
"1201439"	275.617801	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+ACN+2H"	43.041102
"195406"	1061.36016	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+2Na-H"	44.97116
"631686"	1569.55466	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+2Na-H"	44.97116
"1136285"	553.16566	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2Na-H"	44.97116
"178483"	531.183718	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+2Na"	45.978436
"624602"	785.280968	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+2Na"	45.978436
"1123733"	277.086468	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2Na"	45.978436
"1409443"	185.060070666667	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H+2Na"	46.985712
"1436092"	555.207246	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H+HCOOH"	47.012746
"222508"	536.21674	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+3H2O+2H"	56.04448
"1508596"	569.25929	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+IsoProp+H"	61.06479
"408798"	539.170688	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+Na+K"	61.952376
"770881"	793.267938	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+Na+K"	61.952376
"1667591"	285.073438	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Na+K"	61.952376
"253018"	1080.404768	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+ACN+Na"	64.015768
"1229007"	572.210268	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+ACN+Na"	64.015768
"1716071"	572.233793	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+NH4+HCOOH"	64.039293
"1179111"	192.387384666667	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+3Na"	68.967654
"1653870"	577.189188	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Na+HCOOH"	68.994688
"167658"	1093.30804	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+2K-H"	76.91904
"601755"	1601.50254	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+2K-H"	76.91904
"1097202"	585.11354	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2K-H"	76.91904
"150738"	547.157658	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"2M+2K"	77.926316
"596135"	801.254908	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"3M+2K"	77.926316
"1081376"	293.060408	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2K"	77.926316
"1112764"	587.128092	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2K+H"	78.933592
"1349515"	587.215707	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+DMSO+H"	79.021207
"1020595"	591.254876	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2ACN+H"	83.060376
"1536531"	592.248508	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+IsoProp+Na+H"	84.054008
"1000792"	296.131076	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+2ACN+2H"	84.067652
"1598575"	593.163128	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+K+HCOOH"	84.968628
"1429461"	623.194638	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+H+CF3COOH"	115.000138
"1158896"	316.644351	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+3ACN+2H"	125.094202
"1705166"	640.221185	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+NH4+CF3COOH"	132.026685
"1644098"	645.17658	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+Na+CF3COOH"	136.98208
"1572098"	661.15052	"C04070"	"Gibberellin 2-O-beta-D-glucoside"	"C25H32O11"	"508.1945"	"M+K+CF3COOH"	152.95602
"812307"	197.0565	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M"	0
"977091"	178.03811	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-H2O-H"	-19.01839
"66790"	130.363724	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M-3H"	-3.021828
"515830"	196.049224	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M-3H"	-3.021828
"888164"	64.678224	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-3H"	-3.021828
"7833"	196.049224	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M-2H"	-2.014552
"449580"	294.577474	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M-2H"	-2.014552
"821914"	97.520974	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-2H"	-2.014552
"83362"	393.105724	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M-H"	-1.007276
"521831"	590.162224	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M-H"	-1.007276
"906927"	196.049224	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-H"	-1.007276
"55836"	410.132271	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M-2H+NH4"	16.019271
"491022"	607.188771	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M-2H+NH4"	16.019271
"877573"	213.075771	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-2H+NH4"	16.019271
"36725"	415.087666	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M-2H+Na"	20.974666
"484678"	612.144166	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M-2H+Na"	20.974666
"862114"	218.031166	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-2H+Na"	20.974666
"1628002"	218.031166	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Na-2H"	20.974666
"107815"	214.037563	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M-H+Cl"	33.962126
"545183"	312.565813	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M-H+Cl"	33.962126
"938697"	115.509313	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-H+Cl"	33.962126
"276160"	429.082402	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+Cl"	34.969402
"666394"	626.138902	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+Cl"	34.969402
"1275516"	232.025902	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Cl"	34.969402
"19165"	431.061606	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M-2H+K"	36.948606
"458726"	628.118106	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M-2H+K"	36.948606
"834706"	234.005106	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-2H+K"	36.948606
"1560017"	234.005106	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+K-2H"	36.948606
"946807"	242.054694	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-H+HCOOH"	44.998194
"363198"	439.111201	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+HCOOH-H"	44.998201
"357660"	453.126851	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+Hac-H"	59.013851
"1504306"	256.070351	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Hac-H"	59.013851
"973306"	264.036651	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-H+NaCOOH"	66.980151
"124765"	232.025902	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+2Cl"	69.938804
"563596"	330.554152	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+2Cl"	69.938804
"1033488"	133.497652	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2Cl"	69.938804
"1253071"	275.975385	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Br"	78.918885
"1315518"	278.031372	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Cl+HCOOH"	80.974872
"1329734"	300.013329	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Cl+NaCOOH"	102.956829
"916418"	310.042086	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M-H+CF3COOH"	112.985586
"1295314"	346.018764	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Cl+CF3COOH"	148.962264
"1374569"	162.043824	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H-2H2O"	-35.012676
"1386599"	180.0538	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H-H2O"	-17.0027
"293580"	395.120276	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+H"	1.007276
"684178"	592.176776	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+H"	1.007276
"1359431"	198.063776	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H"	1.007276
"132320"	198.063776	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+2H"	2.014552
"572974"	296.592026	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+2H"	2.014552
"1041775"	99.535526	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2H"	2.014552
"207488"	132.378276	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+3H"	3.021828
"649237"	198.063776	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+3H"	3.021828
"1166270"	66.692776	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+3H"	3.021828
"426988"	412.146823	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+NH4"	18.033823
"790538"	609.203323	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+NH4"	18.033823
"1689056"	215.090323	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+NH4"	18.033823
"337342"	206.5770495	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+H+NH4"	19.041099
"737300"	305.1052995	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+H+NH4"	19.041099
"1490145"	108.0487995	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H+NH4"	19.041099
"407255"	417.102218	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+Na"	22.989218
"768860"	614.158718	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+Na"	22.989218
"1617196"	220.045718	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Na"	22.989218
"327595"	209.054747	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+H+Na"	23.996494
"719651"	307.582997	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+H+Na"	23.996494
"1473107"	110.526497	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H+Na"	23.996494
"1067327"	74.02009	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2H+Na"	25.00377
"1271191"	230.089986	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+CH3OH+H"	33.033486
"392077"	433.076158	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+K"	38.963158
"752956"	630.132658	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+K"	38.963158
"1554280"	236.019658	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+K"	38.963158
"311576"	217.041717	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+H+K"	39.970434
"704726"	315.569967	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+H+K"	39.970434
"1460248"	118.513467	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H+K"	39.970434
"248606"	436.146826	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+ACN+H"	42.033826
"1224104"	239.090326	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+ACN+H"	42.033826
"1205922"	120.048801	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+ACN+2H"	43.041102
"194421"	439.08416	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+2Na-H"	44.97116
"635076"	636.14066	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+2Na-H"	44.97116
"1137489"	242.02766	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2Na-H"	44.97116
"179686"	220.045718	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+2Na"	45.978436
"617060"	318.573968	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+2Na"	45.978436
"1128218"	121.517468	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2Na"	45.978436
"1409553"	81.347404	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H+2Na"	46.985712
"1431832"	244.069246	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H+HCOOH"	47.012746
"222618"	225.07874	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+3H2O+2H"	56.04448
"1508858"	258.12129	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+IsoProp+H"	61.06479
"408907"	228.032688	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+Na+K"	61.952376
"773911"	326.560938	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+Na+K"	61.952376
"1674263"	129.504438	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Na+K"	61.952376
"257503"	458.128768	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+ACN+Na"	64.015768
"1232397"	261.072268	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+ACN+Na"	64.015768
"1720190"	261.095793	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+NH4+HCOOH"	64.039293
"1186639"	88.674718	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+3Na"	68.967654
"1655438"	266.051188	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Na+HCOOH"	68.994688
"168861"	471.03204	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+2K-H"	76.91904
"609516"	668.08854	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+2K-H"	76.91904
"1098405"	273.97554	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2K-H"	76.91904
"155220"	236.019658	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"2M+2K"	77.926316
"595879"	334.547908	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"3M+2K"	77.926316
"1079299"	137.491408	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2K"	77.926316
"1113601"	275.990092	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2K+H"	78.933592
"1349868"	276.077707	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+DMSO+H"	79.021207
"1016331"	280.116876	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2ACN+H"	83.060376
"1531176"	281.110508	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+IsoProp+Na+H"	84.054008
"998717"	140.562076	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+2ACN+2H"	84.067652
"1591033"	282.025128	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+K+HCOOH"	84.968628
"1426534"	312.056638	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+H+CF3COOH"	115.000138
"1162045"	161.075351	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+3ACN+2H"	125.094202
"1706371"	329.083185	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+NH4+CF3COOH"	132.026685
"1646396"	334.03858	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+Na+CF3COOH"	136.98208
"1576580"	350.01252	"C04071"	"Guanidinoethyl methyl phosphate"	"C4H12N3O4P"	"197.0565"	"M+K+CF3COOH"	152.95602
"816191"	400.1158	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M"	0
"988145"	381.09741	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"77481"	265.736590666667	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"517932"	399.108524	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"894116"	132.364657333333	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"13417"	399.108524	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"452977"	599.166424	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"830657"	199.050624	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"92111"	799.224324	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"529243"	1199.340124	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"906682"	399.108524	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"57049"	816.250871	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"498796"	1216.366671	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"866025"	416.135071	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"36845"	821.206266	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"473366"	1221.322066	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"859671"	421.090466	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1628110"	421.090466	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"106826"	417.096863	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"543105"	617.154763	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"932245"	217.038963	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"274083"	835.201002	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"666502"	1235.316802	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1282190"	435.085202	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"21464"	837.180206	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"462118"	1237.296006	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"835908"	437.064406	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1560127"	437.064406	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"954218"	445.113994	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"370608"	845.229801	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"352303"	859.245451	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1500041"	459.129651	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"969773"	467.095951	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"118680"	435.085202	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"563714"	635.143102	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1030323"	235.027302	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1250993"	479.034685	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1311256"	481.090672	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1327658"	503.072629	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"921997"	513.101386	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1294333"	549.078064	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1374681"	365.103124	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1386711"	383.1131	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"288584"	801.238876	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"678816"	1201.354676	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1351560"	401.123076	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"126149"	401.123076	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"567254"	601.180976	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1038240"	201.065176	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"205900"	267.751142666667	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"646432"	401.123076	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1168572"	134.379209333333	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"430750"	818.265423	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"788461"	1218.381223	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1696106"	418.149623	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"345400"	409.6363495	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"738102"	609.6942495	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1491720"	209.5784495	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"407483"	823.220818	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"765562"	1223.336618	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1614755"	423.105018	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"328801"	412.114047	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"722076"	612.171947	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1473224"	212.056147	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1067320"	141.706523333333	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1271060"	433.149286	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"390005"	839.194758	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"753917"	1239.310558	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1551957"	439.078958	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"311686"	420.101017	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"704834"	620.158917	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1450997"	220.043117	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"240692"	842.265426	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1217773"	442.149626	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1198741"	221.578451	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"191976"	845.20276	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"630807"	1245.31856	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1132973"	445.08696	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"173598"	423.105018	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"613276"	623.162918	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1116417"	223.047118	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1399948"	149.033837333333	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1436320"	447.128546	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"221640"	428.13804	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1512988"	461.18059	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"412676"	431.091988	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"771482"	631.149888	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1672189"	231.034088	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"257618"	864.247368	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1232512"	464.131568	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1723589"	464.155093	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1192953"	156.361151333333	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1659929"	469.110488	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"167883"	877.15064	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"606349"	1277.26644	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1099128"	477.03484	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"156066"	439.078958	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"592712"	639.136858	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1076131"	239.021058	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1109339"	479.049392	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1344630"	479.137007	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1014253"	483.176176	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1533471"	484.169808	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"1003199"	242.091726	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1599888"	485.084428	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1424457"	515.115938	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1153650"	262.605001	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1699921"	532.142485	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1641043"	537.09788	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1575600"	553.07182	"C04074"	"Isoflavone 7-O-beta-D-glucoside"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"812528"	149.0244	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M"	0
"989689"	130.00601	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-H2O-H"	-19.01839
"76492"	98.342324	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M-3H"	-3.021828
"511678"	148.017124	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M-3H"	-3.021828
"894829"	48.667524	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-3H"	-3.021828
"13527"	148.017124	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M-2H"	-2.014552
"453087"	222.529324	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M-2H"	-2.014552
"830888"	73.504924	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-2H"	-2.014552
"90878"	297.041524	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M-H"	-1.007276
"532629"	446.065924	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M-H"	-1.007276
"906791"	148.017124	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-H"	-1.007276
"58252"	314.068071	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M-2H+NH4"	16.019271
"500367"	463.092471	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M-2H+NH4"	16.019271
"875614"	165.043671	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-2H+NH4"	16.019271
"35860"	319.023466	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M-2H+Na"	20.974666
"473596"	468.047866	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M-2H+Na"	20.974666
"851156"	169.999066	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-2H+Na"	20.974666
"1633687"	169.999066	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Na-2H"	20.974666
"108029"	166.005463	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M-H+Cl"	33.962126
"542121"	240.517663	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M-H+Cl"	33.962126
"930168"	91.493263	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-H+Cl"	33.962126
"272005"	333.018202	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+Cl"	34.969402
"663333"	482.042602	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+Cl"	34.969402
"1273547"	183.993802	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Cl"	34.969402
"18290"	334.997406	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M-2H+K"	36.948606
"456144"	484.021806	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M-2H+K"	36.948606
"833135"	185.973006	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-2H+K"	36.948606
"1556225"	185.973006	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+K-2H"	36.948606
"954328"	194.022594	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-H+HCOOH"	44.998194
"369625"	343.047001	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+HCOOH-H"	44.998201
"354599"	357.062651	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+Hac-H"	59.013851
"1500152"	208.038251	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Hac-H"	59.013851
"969880"	216.004551	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-H+NaCOOH"	66.980151
"122070"	183.993802	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+2Cl"	69.938804
"563460"	258.506002	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+2Cl"	69.938804
"1031527"	109.481602	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2Cl"	69.938804
"1247823"	227.943285	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Br"	78.918885
"1306623"	229.999272	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Cl+HCOOH"	80.974872
"1327768"	251.981229	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Cl+NaCOOH"	102.956829
"922107"	262.009986	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M-H+CF3COOH"	112.985586
"1296630"	297.986664	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Cl+CF3COOH"	148.962264
"1374062"	114.011724	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H-2H2O"	-35.012676
"1389007"	132.0217	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H-H2O"	-17.0027
"289787"	299.056076	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+H"	1.007276
"679654"	448.080476	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+H"	1.007276
"1352358"	150.031676	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H"	1.007276
"126827"	150.031676	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+2H"	2.014552
"567119"	224.543876	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+2H"	2.014552
"1038106"	75.519476	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2H"	2.014552
"205889"	100.356876	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+3H"	3.021828
"645568"	150.031676	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+3H"	3.021828
"1163322"	50.682076	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+3H"	3.021828
"426475"	316.082623	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+NH4"	18.033823
"786861"	465.107023	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+NH4"	18.033823
"1686004"	167.058223	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+NH4"	18.033823
"345510"	158.5449495	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+H+NH4"	19.041099
"738255"	233.0571495	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+H+NH4"	19.041099
"1491709"	84.0327495	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H+NH4"	19.041099
"405770"	321.038018	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+Na"	22.989218
"766764"	470.062418	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+Na"	22.989218
"1616928"	172.013618	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Na"	22.989218
"328427"	161.022647	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+H+Na"	23.996494
"721940"	235.534847	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+H+Na"	23.996494
"1473334"	86.510447	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H+Na"	23.996494
"1067307"	58.00939	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2H+Na"	25.00377
"1270441"	182.057886	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+CH3OH+H"	33.033486
"392419"	337.011958	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+K"	38.963158
"753901"	486.036358	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+K"	38.963158
"1553158"	187.987558	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+K"	38.963158
"308143"	169.009617	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+H+K"	39.970434
"702754"	243.521817	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+H+K"	39.970434
"1458766"	94.497417	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H+K"	39.970434
"240072"	340.082626	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+ACN+H"	42.033826
"1212417"	191.058226	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+ACN+H"	42.033826
"1196300"	96.032751	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+ACN+2H"	43.041102
"190992"	343.01996	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+2Na-H"	44.97116
"629702"	492.04436	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+2Na-H"	44.97116
"1132358"	193.99556	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2Na-H"	44.97116
"173824"	172.013618	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+2Na"	45.978436
"613630"	246.525818	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+2Na"	45.978436
"1116403"	97.501418	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2Na"	45.978436
"1399327"	65.336704	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H+2Na"	46.985712
"1434242"	196.037146	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H+HCOOH"	47.012746
"221750"	177.04664	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+3H2O+2H"	56.04448
"1513096"	210.08919	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+IsoProp+H"	61.06479
"419346"	180.000588	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+Na+K"	61.952376
"773779"	254.512788	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+Na+K"	61.952376
"1672299"	105.488388	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Na+K"	61.952376
"254444"	362.064568	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+ACN+Na"	64.015768
"1232622"	213.040168	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+ACN+Na"	64.015768
"1721512"	213.063693	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+NH4+HCOOH"	64.039293
"1189052"	72.664018	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+3Na"	68.967654
"1661132"	218.019088	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Na+HCOOH"	68.994688
"169087"	374.96784	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+2K-H"	76.91904
"606459"	523.99224	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+2K-H"	76.91904
"1098629"	225.94344	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2K-H"	76.91904
"155569"	187.987558	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"2M+2K"	77.926316
"591727"	262.499758	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"3M+2K"	77.926316
"1079519"	113.475358	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2K"	77.926316
"1106169"	227.957992	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2K+H"	78.933592
"1344740"	228.045607	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+DMSO+H"	79.021207
"1014363"	232.084776	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2ACN+H"	83.060376
"1535768"	233.078408	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+IsoProp+Na+H"	84.054008
"1002216"	116.546026	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+2ACN+2H"	84.067652
"1599998"	233.993028	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+K+HCOOH"	84.968628
"1426753"	264.024538	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+H+CF3COOH"	115.000138
"1154853"	137.059301	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+3ACN+2H"	125.094202
"1698939"	281.051085	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+NH4+CF3COOH"	132.026685
"1641153"	286.00648	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+Na+CF3COOH"	136.98208
"1575710"	301.98042	"C04075"	"2-Amino-4-chloro-4-pentenoic acid;(S)-2-Amino-4-chloro-4-pentenoic acid;L-2-Amino-4-chloropent-4-enoate"	"C5H8ClNO2"	"149.0244"	"M+K+CF3COOH"	152.95602
"802797"	145.0739	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M"	0
"988361"	126.05551	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H2O-H"	-19.01839
"68947"	95.7086573333333	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-3H"	-3.021828
"512881"	144.066624	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-3H"	-3.021828
"892873"	47.3506906666667	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-3H"	-3.021828
"13637"	144.066624	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H"	-2.014552
"453197"	216.603574	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H"	-2.014552
"828812"	71.529674	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H"	-2.014552
"88802"	289.140524	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-H"	-1.007276
"532378"	434.214424	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-H"	-1.007276
"907266"	144.066624	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H"	-1.007276
"59456"	306.167071	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+NH4"	16.019271
"500113"	451.240971	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+NH4"	16.019271
"874635"	161.093171	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+NH4"	16.019271
"35970"	311.122466	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+Na"	20.974666
"476623"	456.196366	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+Na"	20.974666
"854425"	166.048566	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+Na"	20.974666
"1633433"	166.048566	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na-2H"	20.974666
"108139"	162.054963	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-H+Cl"	33.962126
"542231"	234.591913	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-H+Cl"	33.962126
"930278"	89.518013	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+Cl"	33.962126
"273209"	325.117202	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Cl"	34.969402
"663442"	470.191102	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Cl"	34.969402
"1274995"	180.043302	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl"	34.969402
"20589"	327.096406	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+K"	36.948606
"457596"	472.170306	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+K"	36.948606
"833211"	182.022506	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+K"	36.948606
"1555839"	182.022506	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K-2H"	36.948606
"951521"	190.072094	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+HCOOH"	44.998194
"371923"	335.146001	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+HCOOH-H"	44.998201
"354710"	349.161651	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Hac-H"	59.013851
"1499167"	204.087751	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Hac-H"	59.013851
"966709"	212.054051	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+NaCOOH"	66.980151
"122910"	180.043302	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Cl"	69.938804
"561748"	252.580252	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Cl"	69.938804
"1031636"	107.506352	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Cl"	69.938804
"1248297"	223.992785	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Br"	78.918885
"1306733"	226.048772	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+HCOOH"	80.974872
"1319973"	248.030729	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+NaCOOH"	102.956829
"922217"	258.059486	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+CF3COOH"	112.985586
"1294551"	294.036164	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+CF3COOH"	148.962264
"1370889"	110.061224	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H-2H2O"	-35.012676
"1385467"	128.0712	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H-H2O"	-17.0027
"285157"	291.155076	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H"	1.007276
"677212"	436.228976	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H"	1.007276
"1351343"	146.081176	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H"	1.007276
"129373"	146.081176	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2H"	2.014552
"566008"	218.618126	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2H"	2.014552
"1039313"	73.544226	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2H"	2.014552
"206728"	97.7232093333333	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+3H"	3.021828
"649567"	146.081176	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+3H"	3.021828
"1164413"	49.3652426666667	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3H"	3.021828
"425132"	308.181623	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+NH4"	18.033823
"786485"	453.255523	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+NH4"	18.033823
"1689392"	163.107723	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4"	18.033823
"344858"	154.5944495	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+NH4"	19.041099
"738125"	227.1313995	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+NH4"	19.041099
"1492392"	82.0574995	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+NH4"	19.041099
"408439"	313.137018	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Na"	22.989218
"768940"	458.210918	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Na"	22.989218
"1616066"	168.063118	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na"	22.989218
"329594"	157.072147	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+Na"	23.996494
"722136"	229.609097	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+Na"	23.996494
"1475630"	84.535197	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+Na"	23.996494
"1067945"	56.6925566666667	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2H+Na"	25.00377
"1272334"	178.107386	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+CH3OH+H"	33.033486
"392406"	329.110958	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+K"	38.963158
"754149"	474.184858	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+K"	38.963158
"1554361"	184.037058	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K"	38.963158
"310440"	165.059117	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+K"	39.970434
"703957"	237.596067	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+K"	39.970434
"1455595"	92.522167	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+K"	39.970434
"239091"	332.181626	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+H"	42.033826
"1211799"	187.107726	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+H"	42.033826
"1199692"	94.057501	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+2H"	43.041102
"191471"	335.11896	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Na-H"	44.97116
"629331"	480.19286	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Na-H"	44.97116
"1131479"	190.04506	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Na-H"	44.97116
"174671"	168.063118	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Na"	45.978436
"612900"	240.600068	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Na"	45.978436
"1115768"	95.526168	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Na"	45.978436
"1398705"	64.0198706666667	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+2Na"	46.985712
"1433987"	192.086646	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+HCOOH"	47.012746
"226235"	173.09614	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+3H2O+2H"	56.04448
"1517582"	206.13869	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+H"	61.06479
"419456"	176.050088	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Na+K"	61.952376
"773891"	248.587038	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Na+K"	61.952376
"1675691"	103.513138	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+K"	61.952376
"261117"	354.163568	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+Na"	64.015768
"1232732"	209.089668	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+Na"	64.015768
"1721621"	209.113193	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4+HCOOH"	64.039293
"1189162"	71.3471846666667	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3Na"	68.967654
"1662335"	214.068588	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+HCOOH"	68.994688
"169197"	367.06684	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2K-H"	76.91904
"607662"	512.14074	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2K-H"	76.91904
"1093269"	221.99294	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K-H"	76.91904
"155196"	184.037058	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2K"	77.926316
"594994"	256.574008	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2K"	77.926316
"1076348"	111.500108	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K"	77.926316
"1104454"	224.007492	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K+H"	78.933592
"1343755"	224.095107	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+DMSO+H"	79.021207
"1013379"	228.134276	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+H"	83.060376
"1535878"	229.127908	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+Na+H"	84.054008
"997952"	114.570776	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+2H"	84.067652
"1595735"	230.042528	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K+HCOOH"	84.968628
"1425770"	260.074038	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+CF3COOH"	115.000138
"1154964"	135.084051	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3ACN+2H"	125.094202
"1700143"	277.100585	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4+CF3COOH"	132.026685
"1641263"	282.05598	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+CF3COOH"	136.98208
"1573632"	298.02992	"C04076"	"L-2-Aminoadipate 6-semialdehyde;2-Aminoadipate 6-semialdehyde;L-Allysine;Allysine;(S)-2-Amino-6-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K+CF3COOH"	152.95602
"802907"	199.0434	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M"	0
"987012"	180.02501	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-H2O-H"	-19.01839
"70150"	131.688324	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M-3H"	-3.021828
"506429"	198.036124	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M-3H"	-3.021828
"887515"	65.340524	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-3H"	-3.021828
"10466"	198.036124	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M-2H"	-2.014552
"453307"	297.557824	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M-2H"	-2.014552
"830015"	98.514424	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-2H"	-2.014552
"90005"	397.079524	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M-H"	-1.007276
"529571"	596.122924	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M-H"	-1.007276
"907373"	198.036124	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-H"	-1.007276
"57377"	414.106071	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M-2H+NH4"	16.019271
"499126"	613.149471	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M-2H+NH4"	16.019271
"869272"	215.062671	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-2H+NH4"	16.019271
"36081"	419.061466	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M-2H+Na"	20.974666
"477827"	618.104866	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M-2H+Na"	20.974666
"850158"	220.018066	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-2H+Na"	20.974666
"1621881"	220.018066	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Na-2H"	20.974666
"99501"	216.024463	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M-H+Cl"	33.962126
"535414"	315.546163	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M-H+Cl"	33.962126
"928200"	116.502763	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-H+Cl"	33.962126
"267603"	433.056202	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+Cl"	34.969402
"660058"	632.099602	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+Cl"	34.969402
"1273029"	234.012802	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Cl"	34.969402
"17171"	435.035406	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M-2H+K"	36.948606
"455697"	634.078806	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M-2H+K"	36.948606
"832988"	235.992006	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-2H+K"	36.948606
"1556192"	235.992006	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+K-2H"	36.948606
"943276"	244.041594	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-H+HCOOH"	44.998194
"366196"	443.085001	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+HCOOH-H"	44.998201
"347522"	457.100651	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+Hac-H"	59.013851
"1492742"	258.057251	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Hac-H"	59.013851
"959156"	266.023551	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-H+NaCOOH"	66.980151
"120101"	234.012802	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+2Cl"	69.938804
"561851"	333.534502	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+2Cl"	69.938804
"1032837"	134.491102	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2Cl"	69.938804
"1250230"	277.962285	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Br"	78.918885
"1308668"	280.018272	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Cl+HCOOH"	80.974872
"1320202"	302.000229	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Cl+NaCOOH"	102.956829
"914671"	312.028986	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M-H+CF3COOH"	112.985586
"1292837"	348.005664	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Cl+CF3COOH"	148.962264
"1371728"	164.030724	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H-2H2O"	-35.012676
"1383754"	182.0407	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H-H2O"	-17.0027
"284903"	399.094076	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+H"	1.007276
"675854"	598.137476	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+H"	1.007276
"1351644"	200.050676	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H"	1.007276
"126193"	200.050676	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+2H"	2.014552
"566116"	299.572376	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+2H"	2.014552
"1037712"	100.528976	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2H"	2.014552
"207931"	133.702876	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+3H"	3.021828
"646761"	200.050676	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+3H"	3.021828
"1163794"	67.355076	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+3H"	3.021828
"425242"	416.120623	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+NH4"	18.033823
"786597"	615.164023	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+NH4"	18.033823
"1686222"	217.077223	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+NH4"	18.033823
"345209"	208.5639495	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+H+NH4"	19.041099
"738429"	308.0856495	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+H+NH4"	19.041099
"1492688"	109.0422495	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H+NH4"	19.041099
"407084"	421.076018	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+Na"	22.989218
"765890"	620.119418	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+Na"	22.989218
"1613989"	222.032618	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Na"	22.989218
"328036"	211.041647	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+H+Na"	23.996494
"721068"	310.563347	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+H+Na"	23.996494
"1476347"	111.519947	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H+Na"	23.996494
"1067649"	74.68239	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2H+Na"	25.00377
"1272121"	232.076886	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+CH3OH+H"	33.033486
"392151"	437.049958	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+K"	38.963158
"751323"	636.093358	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+K"	38.963158
"1555079"	238.006558	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+K"	38.963158
"309457"	219.028617	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+H+K"	39.970434
"702974"	318.550317	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+H+K"	39.970434
"1458983"	119.506917	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H+K"	39.970434
"237744"	440.120626	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+ACN+H"	42.033826
"1210246"	241.077226	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+ACN+H"	42.033826
"1197616"	121.042251	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+ACN+2H"	43.041102
"188867"	443.05796	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+2Na-H"	44.97116
"628871"	642.10136	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+2Na-H"	44.97116
"1131527"	244.01456	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2Na-H"	44.97116
"173931"	222.032618	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+2Na"	45.978436
"612967"	321.554318	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+2Na"	45.978436
"1117351"	122.510918	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2Na"	45.978436
"1398564"	82.009704	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H+2Na"	46.985712
"1434461"	246.056146	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H+HCOOH"	47.012746
"223429"	227.06564	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+3H2O+2H"	56.04448
"1517691"	260.10819	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+IsoProp+H"	61.06479
"413370"	230.019588	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+Na+K"	61.952376
"771812"	329.541288	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+Na+K"	61.952376
"1674707"	130.497888	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Na+K"	61.952376
"257946"	462.102568	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+ACN+Na"	64.015768
"1229561"	263.059168	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+ACN+Na"	64.015768
"1721730"	263.082693	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+NH4+HCOOH"	64.039293
"1189272"	89.337018	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+3Na"	68.967654
"1660258"	268.038088	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Na+HCOOH"	68.994688
"168212"	475.00584	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+2K-H"	76.91904
"609957"	674.04924	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+2K-H"	76.91904
"1094472"	275.96244	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2K-H"	76.91904
"155547"	238.006558	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"2M+2K"	77.926316
"595104"	337.528258	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"3M+2K"	77.926316
"1076458"	138.484858	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2K"	77.926316
"1105293"	277.976992	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2K+H"	78.933592
"1343865"	278.064607	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+DMSO+H"	79.021207
"1013489"	282.103776	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2ACN+H"	83.060376
"1534895"	283.097408	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+IsoProp+Na+H"	84.054008
"999154"	141.555526	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+2ACN+2H"	84.067652
"1595845"	284.012028	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+K+HCOOH"	84.968628
"1423691"	314.043538	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+H+CF3COOH"	115.000138
"1153980"	162.068801	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+3ACN+2H"	125.094202
"1698430"	331.070085	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+NH4+CF3COOH"	132.026685
"1641373"	336.02548	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+Na+CF3COOH"	136.98208
"1574835"	351.99942	"C04078"	"Methylmethionine sulfonium salt;Methylmethionine sulfonium chloride;Vitamin U"	"C6H14NO2SCl"	"199.0434"	"M+K+CF3COOH"	152.95602
"803017"	322.1199	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M"	0
"986392"	303.10151	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-H2O-H"	-19.01839
"69167"	213.739324	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M-3H"	-3.021828
"505446"	321.112624	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M-3H"	-3.021828
"886532"	106.366024	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-3H"	-3.021828
"9483"	321.112624	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M-2H"	-2.014552
"454147"	482.172574	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M-2H"	-2.014552
"830125"	160.052674	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-2H"	-2.014552
"90115"	643.232524	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M-H"	-1.007276
"529317"	965.352424	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M-H"	-1.007276
"905297"	321.112624	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-H"	-1.007276
"57123"	660.259071	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M-2H+NH4"	16.019271
"498871"	982.378971	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M-2H+NH4"	16.019271
"867195"	338.139171	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-2H+NH4"	16.019271
"35098"	665.214466	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M-2H+Na"	20.974666
"477937"	987.334366	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M-2H+Na"	20.974666
"849134"	343.094566	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-2H+Na"	20.974666
"1619438"	343.094566	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Na-2H"	20.974666
"95965"	339.100963	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M-H+Cl"	33.962126
"536253"	500.160913	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M-H+Cl"	33.962126
"930495"	178.041013	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-H+Cl"	33.962126
"267958"	679.209202	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+Cl"	34.969402
"660211"	1001.329102	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+Cl"	34.969402
"1273017"	357.089302	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Cl"	34.969402
"17526"	681.188406	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M-2H+K"	36.948606
"455877"	1003.308306	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M-2H+K"	36.948606
"833223"	359.068506	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-2H+K"	36.948606
"1556184"	359.068506	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+K-2H"	36.948606
"944440"	367.118094	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-H+HCOOH"	44.998194
"364117"	689.238001	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+HCOOH-H"	44.998201
"346541"	703.253651	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+Hac-H"	59.013851
"1493911"	381.133751	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Hac-H"	59.013851
"958903"	389.100051	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-H+NaCOOH"	66.980151
"115835"	357.089302	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+2Cl"	69.938804
"559775"	518.149252	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+2Cl"	69.938804
"1028936"	196.029352	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2Cl"	69.938804
"1250340"	401.038785	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Br"	78.918885
"1307682"	403.094772	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Cl+HCOOH"	80.974872
"1320231"	425.076729	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Cl+NaCOOH"	102.956829
"914417"	435.105486	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M-H+CF3COOH"	112.985586
"1294771"	471.082164	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Cl+CF3COOH"	148.962264
"1376214"	287.107224	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H-2H2O"	-35.012676
"1385688"	305.1172	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H-H2O"	-17.0027
"283464"	645.247076	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+H"	1.007276
"677796"	967.366976	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+H"	1.007276
"1352199"	323.127176	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H"	1.007276
"126421"	323.127176	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+2H"	2.014552
"566064"	484.187126	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+2H"	2.014552
"1037706"	162.067226	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2H"	2.014552
"210227"	215.753876	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+3H"	3.021828
"653068"	323.127176	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+3H"	3.021828
"1166820"	108.380576	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+3H"	3.021828
"425473"	662.273623	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+NH4"	18.033823
"786466"	984.393523	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+NH4"	18.033823
"1686332"	340.153723	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+NH4"	18.033823
"345316"	331.6404495	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+H+NH4"	19.041099
"738104"	492.7003995	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+H+NH4"	19.041099
"1492286"	170.5804995	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H+NH4"	19.041099
"406831"	667.229018	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+Na"	22.989218
"766003"	989.348918	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+Na"	22.989218
"1611912"	345.109118	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Na"	22.989218
"327417"	334.118147	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+H+Na"	23.996494
"720569"	495.178097	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+H+Na"	23.996494
"1474753"	173.058197	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H+Na"	23.996494
"1065811"	115.70789	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2H+Na"	25.00377
"1268587"	355.153386	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+CH3OH+H"	33.033486
"391168"	683.202958	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+K"	38.963158
"749244"	1005.322858	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+K"	38.963158
"1549112"	361.083058	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+K"	38.963158
"306286"	342.105117	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+H+K"	39.970434
"698709"	503.165067	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+H+K"	39.970434
"1454721"	181.045167	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H+K"	39.970434
"237855"	686.273626	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+ACN+H"	42.033826
"1210356"	364.153726	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+ACN+H"	42.033826
"1194811"	182.580501	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+ACN+2H"	43.041102
"188812"	689.21096	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+2Na-H"	44.97116
"630154"	1011.33086	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+2Na-H"	44.97116
"1132937"	367.09106	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2Na-H"	44.97116
"173433"	345.109118	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+2Na"	45.978436
"615788"	506.169068	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+2Na"	45.978436
"1116733"	184.049168	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2Na"	45.978436
"1398557"	123.035204	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H+2Na"	46.985712
"1430198"	369.132646	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H+HCOOH"	47.012746
"225363"	350.14214	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+3H2O+2H"	56.04448
"1514522"	383.18469	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+IsoProp+H"	61.06479
"413116"	353.096088	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+Na+K"	61.952376
"773018"	514.156038	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+Na+K"	61.952376
"1669349"	192.036138	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Na+K"	61.952376
"258056"	708.255568	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+ACN+Na"	64.015768
"1230764"	386.135668	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+ACN+Na"	64.015768
"1721840"	386.159193	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+NH4+HCOOH"	64.039293
"1189381"	130.362518	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+3Na"	68.967654
"1659275"	391.114588	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Na+HCOOH"	68.994688
"170510"	721.15884	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+2K-H"	76.91904
"610068"	1043.27874	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+2K-H"	76.91904
"1095675"	399.03894	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2K-H"	76.91904
"154321"	361.083058	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"2M+2K"	77.926316
"594242"	522.143008	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"3M+2K"	77.926316
"1079848"	200.023108	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2K"	77.926316
"1107590"	401.053492	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2K+H"	78.933592
"1343975"	401.141107	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+DMSO+H"	79.021207
"1013599"	405.180276	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2ACN+H"	83.060376
"1531724"	406.173908	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+IsoProp+Na+H"	84.054008
"998172"	203.093776	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+2ACN+2H"	84.067652
"1598144"	407.088528	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+K+HCOOH"	84.968628
"1428175"	437.120038	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+H+CF3COOH"	115.000138
"1151903"	223.607051	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+3ACN+2H"	125.094202
"1702547"	454.146585	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+NH4+CF3COOH"	132.026685
"1641483"	459.10198	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+Na+CF3COOH"	136.98208
"1574945"	475.07592	"C04079"	"N-((R)-Pantothenoyl)-L-cysteine;D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine"	"C12H22N2O6S"	"322.1199"	"M+K+CF3COOH"	152.95602
"809690"	227.0946	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M"	0
"983224"	208.07621	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H2O-H"	-19.01839
"69278"	150.389124	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-3H"	-3.021828
"516495"	226.087324	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-3H"	-3.021828
"891019"	74.690924	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-3H"	-3.021828
"11782"	226.087324	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H"	-2.014552
"452436"	339.634624	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H"	-2.014552
"829145"	112.540024	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H"	-2.014552
"89135"	453.181924	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-H"	-1.007276
"528696"	680.276524	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-H"	-1.007276
"904317"	226.087324	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H"	-1.007276
"53224"	470.208471	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H+NH4"	16.019271
"491691"	697.303071	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H+NH4"	16.019271
"867306"	243.113871	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H+NH4"	16.019271
"36301"	475.163866	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H+Na"	20.974666
"478047"	702.258466	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H+Na"	20.974666
"851475"	248.069266	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H+Na"	20.974666
"1620641"	248.069266	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na-2H"	20.974666
"97534"	244.075663	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-H+Cl"	33.962126
"542560"	357.622963	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-H+Cl"	33.962126
"932793"	130.528363	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+Cl"	33.962126
"267944"	489.158602	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Cl"	34.969402
"661702"	716.253202	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+Cl"	34.969402
"1273987"	262.064002	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl"	34.969402
"19824"	491.137806	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M-2H+K"	36.948606
"459383"	718.232406	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M-2H+K"	36.948606
"834997"	264.043206	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-2H+K"	36.948606
"1560681"	264.043206	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K-2H"	36.948606
"951116"	272.092794	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+HCOOH"	44.998194
"368967"	499.187401	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+HCOOH-H"	44.998201
"348839"	513.203051	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Hac-H"	59.013851
"1495481"	286.108451	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Hac-H"	59.013851
"965216"	294.074751	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+NaCOOH"	66.980151
"118133"	262.064002	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2Cl"	69.938804
"555875"	375.611302	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2Cl"	69.938804
"1030876"	148.516702	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2Cl"	69.938804
"1248629"	306.013485	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Br"	78.918885
"1309252"	308.069472	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl+HCOOH"	80.974872
"1326751"	330.051429	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl+NaCOOH"	102.956829
"918174"	340.080186	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M-H+CF3COOH"	112.985586
"1294881"	376.056864	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Cl+CF3COOH"	148.962264
"1374137"	192.081924	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H-2H2O"	-35.012676
"1387623"	210.0919	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H-H2O"	-17.0027
"285121"	455.196476	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H"	1.007276
"679367"	682.291076	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H"	1.007276
"1351625"	228.101876	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H"	1.007276
"128243"	228.101876	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2H"	2.014552
"566338"	341.649176	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2H"	2.014552
"1037447"	114.554576	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2H"	2.014552
"212526"	152.403676	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+3H"	3.021828
"648805"	228.101876	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+3H"	3.021828
"1163161"	76.705476	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+3H"	3.021828
"424848"	472.223023	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+NH4"	18.033823
"800684"	699.317623	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+NH4"	18.033823
"1696418"	245.128423	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+NH4"	18.033823
"345310"	236.6151495	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H+NH4"	19.041099
"738095"	350.1624495	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H+NH4"	19.041099
"1492031"	123.0678495	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+NH4"	19.041099
"400743"	477.178418	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Na"	22.989218
"769721"	704.273018	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+Na"	22.989218
"1617367"	250.083818	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na"	22.989218
"328865"	239.092847	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H+Na"	23.996494
"719949"	352.640147	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H+Na"	23.996494
"1472674"	125.545547	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+Na"	23.996494
"1064830"	84.03279	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2H+Na"	25.00377
"1271249"	260.128086	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+CH3OH+H"	33.033486
"390548"	493.152358	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+K"	38.963158
"750451"	720.246958	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+K"	38.963158
"1548130"	266.057758	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K"	38.963158
"307491"	247.079817	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+H+K"	39.970434
"702105"	360.627117	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+H+K"	39.970434
"1455925"	133.532517	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+K"	39.970434
"243434"	496.223026	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+ACN+H"	42.033826
"1216139"	269.128426	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+ACN+H"	42.033826
"1197839"	135.067851	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+ACN+2H"	43.041102
"193990"	499.16036	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2Na-H"	44.97116
"633550"	726.25496	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2Na-H"	44.97116
"1133047"	272.06576	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2Na-H"	44.97116
"174264"	250.083818	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2Na"	45.978436
"613825"	363.631118	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2Na"	45.978436
"1116600"	136.536518	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2Na"	45.978436
"1399525"	91.360104	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+2Na"	46.985712
"1434319"	274.107346	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+HCOOH"	47.012746
"224744"	255.11684	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+3H2O+2H"	56.04448
"1515726"	288.15939	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+IsoProp+H"	61.06479
"414318"	258.070788	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+Na+K"	61.952376
"776409"	371.618088	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+Na+K"	61.952376
"1673833"	144.523488	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na+K"	61.952376
"262539"	518.204968	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+ACN+Na"	64.015768
"1236343"	291.110368	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+ACN+Na"	64.015768
"1727783"	291.133893	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+NH4+HCOOH"	64.039293
"1192775"	98.687418	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+3Na"	68.967654
"1660477"	296.089288	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na+HCOOH"	68.994688
"166244"	531.10824	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2K-H"	76.91904
"610186"	758.20284	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2K-H"	76.91904
"1096886"	304.01364	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2K-H"	76.91904
"153696"	266.057758	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"2M+2K"	77.926316
"591072"	379.605058	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"3M+2K"	77.926316
"1075585"	152.510458	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2K"	77.926316
"1107701"	306.028192	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2K+H"	78.933592
"1344084"	306.115807	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+DMSO+H"	79.021207
"1011522"	310.154976	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2ACN+H"	83.060376
"1526488"	311.148608	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+IsoProp+Na+H"	84.054008
"993908"	155.581126	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+2ACN+2H"	84.067652
"1591692"	312.063228	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K+HCOOH"	84.968628
"1417351"	342.094738	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+H+CF3COOH"	115.000138
"1153108"	176.094401	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+3ACN+2H"	125.094202
"1703755"	359.121285	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+NH4+CF3COOH"	132.026685
"1635397"	364.07668	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+Na+CF3COOH"	136.98208
"1582712"	380.05062	"C04081"	"N-Hydroxy-4-acetylaminobiphenyl"	"C14H13NO2"	"227.0946"	"M+K+CF3COOH"	152.95602
"809800"	203.1171	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M"	0
"985521"	184.09871	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-H2O-H"	-19.01839
"71574"	134.404124	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M-3H"	-3.021828
"518308"	202.109824	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M-3H"	-3.021828
"893316"	66.698424	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-3H"	-3.021828
"15171"	202.109824	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M-2H"	-2.014552
"454731"	303.668374	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M-2H"	-2.014552
"830348"	100.551274	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-2H"	-2.014552
"89246"	405.226924	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M-H"	-1.007276
"529899"	608.344024	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M-H"	-1.007276
"907341"	202.109824	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-H"	-1.007276
"53333"	422.253471	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M-2H+NH4"	16.019271
"493987"	625.370571	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M-2H+NH4"	16.019271
"869603"	219.136371	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-2H+NH4"	16.019271
"39691"	427.208866	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M-2H+Na"	20.974666
"472806"	630.325966	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M-2H+Na"	20.974666
"850491"	224.091766	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-2H+Na"	20.974666
"1623304"	224.091766	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Na-2H"	20.974666
"100924"	220.098163	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M-H+Cl"	33.962126
"537203"	321.656713	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M-H+Cl"	33.962126
"933996"	118.539613	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-H+Cl"	33.962126
"267930"	441.203602	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+Cl"	34.969402
"661080"	644.320702	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+Cl"	34.969402
"1273367"	238.086502	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Cl"	34.969402
"16894"	443.182806	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M-2H+K"	36.948606
"457427"	646.299906	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M-2H+K"	36.948606
"837293"	240.065706	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-2H+K"	36.948606
"1562977"	240.065706	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+K-2H"	36.948606
"951955"	248.115294	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-H+HCOOH"	44.998194
"367982"	451.232401	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+HCOOH-H"	44.998201
"350770"	465.248051	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+Hac-H"	59.013851
"1496320"	262.130951	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Hac-H"	59.013851
"966419"	270.097251	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-H+NaCOOH"	66.980151
"117150"	238.086502	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+2Cl"	69.938804
"557807"	339.645052	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+2Cl"	69.938804
"1033171"	136.527952	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2Cl"	69.938804
"1249468"	282.035985	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Br"	78.918885
"1308998"	284.091972	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Cl+HCOOH"	80.974872
"1320783"	306.073929	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Cl+NaCOOH"	102.956829
"920470"	316.102686	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M-H+CF3COOH"	112.985586
"1292075"	352.079364	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Cl+CF3COOH"	148.962264
"1376433"	168.104424	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H-2H2O"	-35.012676
"1387369"	186.1144	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H-H2O"	-17.0027
"285595"	407.241476	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+H"	1.007276
"675764"	610.358576	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+H"	1.007276
"1351401"	204.124376	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H"	1.007276
"125756"	204.124376	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+2H"	2.014552
"565680"	305.682926	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+2H"	2.014552
"1037158"	102.565826	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2H"	2.014552
"205708"	136.418676	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+3H"	3.021828
"645635"	204.124376	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+3H"	3.021828
"1162764"	68.712976	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+3H"	3.021828
"424836"	424.268023	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+NH4"	18.033823
"800066"	627.385123	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+NH4"	18.033823
"1696816"	221.150923	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+NH4"	18.033823
"345299"	212.6376495	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+H+NH4"	19.041099
"737999"	314.1961995	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+H+NH4"	19.041099
"1492547"	111.0790995	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H+NH4"	19.041099
"403040"	429.223418	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+Na"	22.989218
"769705"	632.340518	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+Na"	22.989218
"1614318"	226.106318	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Na"	22.989218
"325449"	215.115347	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+H+Na"	23.996494
"720058"	316.673897	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+H+Na"	23.996494
"1470597"	113.556797	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H+Na"	23.996494
"1063848"	76.04029	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2H+Na"	25.00377
"1270631"	236.150586	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+CH3OH+H"	33.033486
"391751"	445.197358	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+K"	38.963158
"748373"	648.314458	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+K"	38.963158
"1550426"	242.080258	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+K"	38.963158
"307601"	223.102317	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+H+K"	39.970434
"702207"	324.660867	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+H+K"	39.970434
"1450567"	121.543767	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H+K"	39.970434
"240263"	448.268026	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+ACN+H"	42.033826
"1215156"	245.150926	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+ACN+H"	42.033826
"1200133"	123.079101	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+ACN+2H"	43.041102
"191913"	451.20536	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+2Na-H"	44.97116
"629649"	654.32246	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+2Na-H"	44.97116
"1132061"	248.08826	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2Na-H"	44.97116
"173645"	226.106318	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+2Na"	45.978436
"613816"	327.664868	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+2Na"	45.978436
"1115651"	124.547768	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2Na"	45.978436
"1399756"	83.367604	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H+2Na"	46.985712
"1434064"	250.129846	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H+HCOOH"	47.012746
"222302"	231.13934	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+3H2O+2H"	56.04448
"1512920"	264.18189	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+IsoProp+H"	61.06479
"414429"	234.093288	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+Na+K"	61.952376
"775426"	335.651838	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+Na+K"	61.952376
"1676130"	132.534738	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Na+K"	61.952376
"264837"	470.249968	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+ACN+Na"	64.015768
"1238640"	267.132868	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+ACN+Na"	64.015768
"1727528"	267.156393	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+NH4+HCOOH"	64.039293
"1193490"	90.694918	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+3Na"	68.967654
"1659493"	272.111788	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Na+HCOOH"	68.994688
"167447"	483.15324	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+2K-H"	76.91904
"611388"	686.27034	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+2K-H"	76.91904
"1097722"	280.03614	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2K-H"	76.91904
"156361"	242.080258	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"2M+2K"	77.926316
"595557"	343.638808	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"3M+2K"	77.926316
"1075695"	140.521708	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2K"	77.926316
"1106717"	282.050692	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2K+H"	78.933592
"1342007"	282.138307	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+DMSO+H"	79.021207
"1008351"	286.177476	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2ACN+H"	83.060376
"1527570"	287.171108	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+IsoProp+Na+H"	84.054008
"992925"	143.592376	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+2ACN+2H"	84.067652
"1592895"	288.085728	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+K+HCOOH"	84.968628
"1417464"	318.117238	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+H+CF3COOH"	115.000138
"1153219"	164.105651	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+3ACN+2H"	125.094202
"1704958"	335.143785	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+NH4+CF3COOH"	132.026685
"1637329"	340.09918	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+Na+CF3COOH"	136.98208
"1582822"	356.07312	"C04083"	"N6-(delta2-Isopentenyl)-adenine;N6-(3-Methylbut-2-enyl)adenine;6-(gammagamma-Dimethylallylamino)purine;N6-Dimethylallyladenine"	"C10H13N5"	"203.1171"	"M+K+CF3COOH"	152.95602
"806630"	312.2089	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M"	0
"986725"	293.19051	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"69498"	207.131990666667	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"516717"	311.201624	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"892333"	103.062357333333	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"13094"	311.201624	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"452654"	467.306074	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"828271"	155.097174	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"89356"	623.410524	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"528916"	935.619424	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"906723"	311.201624	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"54536"	640.437071	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"493004"	952.645971	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"869713"	328.228171	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"37614"	645.392466	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"473164"	957.601366	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"852788"	333.183566	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1623414"	333.183566	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"99941"	329.189963	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"536341"	485.294413	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"930826"	173.085513	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"267392"	659.387202	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"660502"	971.596102	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1272948"	347.178302	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"16883"	661.366406	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"457415"	973.575306	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"834123"	349.157506	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1563087"	349.157506	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"949878"	357.207094	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"368092"	669.416001	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"349787"	683.431651	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1496430"	371.222751	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"967258"	379.189051	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"118353"	347.178302	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"557917"	503.282752	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1028909"	191.073852	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1249578"	391.127785	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1308744"	393.183772	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1325148"	415.165729	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"917300"	425.194486	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1291821"	461.171164	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1377636"	277.196224	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1385291"	295.2062	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"282995"	625.425076	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"675807"	937.633976	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1352288"	313.216176	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"125752"	313.216176	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"565944"	469.320626	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1037334"	157.111726	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"204292"	209.146542666667	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"645745"	313.216176	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1162966"	105.076909333333	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"424823"	642.451623	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"800179"	954.660523	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1696971"	330.242723	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"345679"	321.7294495	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"737213"	477.8338995	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1491034"	165.6249995	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"398776"	647.407018	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"767424"	959.615918	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1615521"	335.198118	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"327746"	324.207147	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"717981"	480.311597	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1470707"	168.102697	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1065051"	112.404223333333	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1271833"	345.242386	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"389674"	663.380958	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"747390"	975.589858	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1548350"	351.172058	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"306617"	332.194117	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"702317"	488.298567	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1456144"	176.089667	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"243653"	666.451626	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1220735"	354.242726	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1204619"	177.625001	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"194209"	669.38896	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"630729"	981.59786	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1131654"	357.18006	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"173079"	335.198118	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"614655"	491.302568	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1115886"	179.093668	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1398587"	119.731537333333	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1434174"	359.221646	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"221682"	340.23114	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1517036"	373.27369	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"413444"	343.185088	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"775536"	499.289538	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1676240"	187.080638	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"261667"	688.433568	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1238750"	376.224668	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1727273"	376.248193	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1191899"	127.058851333333	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1659603"	381.203588	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"167557"	701.33684	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"611498"	1013.54574	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1098075"	389.12794	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"154890"	351.172058	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"594450"	507.276508	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1075805"	195.067608	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1105734"	391.142492	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1341024"	391.230107	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1007732"	395.269276	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1527680"	396.262908	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"995222"	198.138276	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1593005"	397.177528	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1417574"	427.209038	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1153329"	218.651551	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1703975"	444.235585	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1637439"	449.19098	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1582932"	465.16492	"C04084"	"Pregna-49(11)-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"810022"	548.0445	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M"	0
"982463"	529.02611	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-H2O-H"	-19.01839
"75080"	364.355724	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M-3H"	-3.021828
"514640"	547.037224	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M-3H"	-3.021828
"886973"	181.674224	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-3H"	-3.021828
"11016"	547.037224	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M-2H"	-2.014552
"453864"	821.059474	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M-2H"	-2.014552
"829479"	273.014974	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-2H"	-2.014552
"81087"	1095.081724	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M-H"	-1.007276
"523564"	1643.126224	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M-H"	-1.007276
"903553"	547.037224	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-H"	-1.007276
"52461"	1112.108271	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M-2H+NH4"	16.019271
"488740"	1660.152771	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M-2H+NH4"	16.019271
"864839"	564.063771	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-2H+NH4"	16.019271
"34442"	1117.063666	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M-2H+Na"	20.974666
"476189"	1665.108166	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M-2H+Na"	20.974666
"851803"	569.019166	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-2H+Na"	20.974666
"1626803"	569.019166	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Na-2H"	20.974666
"95676"	565.025563	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M-H+Cl"	33.962126
"535479"	839.047813	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M-H+Cl"	33.962126
"927173"	291.003313	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-H+Cl"	33.962126
"267257"	1131.058402	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+Cl"	34.969402
"661915"	1679.102902	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+Cl"	34.969402
"1274686"	583.013902	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Cl"	34.969402
"16996"	1133.037606	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M-2H+K"	36.948606
"459725"	1681.082106	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M-2H+K"	36.948606
"842996"	584.993106	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-2H+K"	36.948606
"1563203"	584.993106	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+K-2H"	36.948606
"949991"	593.042694	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-H+HCOOH"	44.998194
"364925"	1141.087201	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+HCOOH-H"	44.998201
"357561"	1155.102851	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+Hac-H"	59.013851
"1503480"	607.058351	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Hac-H"	59.013851
"964093"	615.024651	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-H+NaCOOH"	66.980151
"112273"	583.013902	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+2Cl"	69.938804
"553288"	857.036152	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+2Cl"	69.938804
"1029014"	308.991652	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2Cl"	69.938804
"1248594"	626.963385	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Br"	78.918885
"1308855"	629.019372	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Cl+HCOOH"	80.974872
"1325258"	651.001329	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Cl+NaCOOH"	102.956829
"914494"	661.030086	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M-H+CF3COOH"	112.985586
"1300682"	697.006764	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Cl+CF3COOH"	148.962264
"1377749"	513.031824	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H-2H2O"	-35.012676
"1390875"	531.0418	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H-H2O"	-17.0027
"290563"	1097.096276	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+H"	1.007276
"688455"	1645.140776	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+H"	1.007276
"1361522"	549.051776	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H"	1.007276
"131128"	549.051776	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+2H"	2.014552
"566435"	823.074026	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+2H"	2.014552
"1048241"	275.029526	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2H"	2.014552
"211766"	366.370276	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+3H"	3.021828
"650231"	549.051776	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+3H"	3.021828
"1176757"	183.688776	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+3H"	3.021828
"439177"	1114.122823	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+NH4"	18.033823
"800293"	1662.167323	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+NH4"	18.033823
"1693705"	566.078323	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+NH4"	18.033823
"344173"	557.5650495	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+H+NH4"	19.041099
"738300"	831.5872995	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+H+NH4"	19.041099
"1492122"	283.5427995	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H+NH4"	19.041099
"407634"	1119.078218	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+Na"	22.989218
"764252"	1667.122718	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+Na"	22.989218
"1614536"	571.033718	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Na"	22.989218
"323482"	560.042747	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+H+Na"	23.996494
"713717"	834.064997	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+H+Na"	23.996494
"1467538"	286.020497	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H+Na"	23.996494
"1062970"	191.01609	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2H+Na"	25.00377
"1265743"	581.077986	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+CH3OH+H"	33.033486
"382130"	1135.052158	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+K"	38.963158
"752245"	1683.096658	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+K"	38.963158
"1553930"	587.007658	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+K"	38.963158
"305641"	568.029717	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+H+K"	39.970434
"696968"	842.051967	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+H+K"	39.970434
"1454066"	294.007467	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H+K"	39.970434
"245948"	1138.122826	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+ACN+H"	42.033826
"1217563"	590.078326	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+ACN+H"	42.033826
"1201446"	295.542801	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+ACN+2H"	43.041102
"192130"	1141.06016	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+2Na-H"	44.97116
"631689"	1689.10466	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+2Na-H"	44.97116
"1133007"	593.01566	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2Na-H"	44.97116
"173504"	571.033718	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+2Na"	45.978436
"614649"	845.055968	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+2Na"	45.978436
"1117061"	297.011468	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2Na"	45.978436
"1399981"	198.343404	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H+2Na"	46.985712
"1433557"	595.057246	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H+HCOOH"	47.012746
"220291"	576.06674	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+3H2O+2H"	56.04448
"1513865"	609.10929	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+IsoProp+H"	61.06479
"414647"	579.020688	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+Na+K"	61.952376
"776736"	853.042938	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+Na+K"	61.952376
"1669788"	304.998438	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Na+K"	61.952376
"257401"	1160.104768	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+ACN+Na"	64.015768
"1233390"	612.060268	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+ACN+Na"	64.015768
"1717905"	612.083793	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+NH4+HCOOH"	64.039293
"1186539"	205.670718	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+3Na"	68.967654
"1653153"	617.039188	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Na+HCOOH"	68.994688
"168766"	1173.00804	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+2K-H"	76.91904
"609055"	1721.05254	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+2K-H"	76.91904
"1095026"	624.96354	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2K-H"	76.91904
"144551"	587.007658	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"2M+2K"	77.926316
"591402"	861.029908	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"3M+2K"	77.926316
"1079193"	312.985408	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2K"	77.926316
"1105841"	626.978092	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2K+H"	78.933592
"1344413"	627.065707	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+DMSO+H"	79.021207
"1009663"	631.104876	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2ACN+H"	83.060376
"1528883"	632.098508	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+IsoProp+Na+H"	84.054008
"994236"	316.056076	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+2ACN+2H"	84.067652
"1588011"	633.013128	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+K+HCOOH"	84.968628
"1414286"	663.044638	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+H+CF3COOH"	115.000138
"1147361"	336.569351	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+3ACN+2H"	125.094202
"1699713"	680.071185	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+NH4+CF3COOH"	132.026685
"1639738"	685.02658	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+Na+CF3COOH"	136.98208
"1579763"	701.00052	"C04089"	"UDP-4-dehydro-6-deoxy-D-glucose;UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;UDP-4-dehydro-6-deoxy-alpha-D-glucose"	"C15H22N2O16P2"	"548.0445"	"M+K+CF3COOH"	152.95602
"813412"	112.0524	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M"	0
"980386"	93.03401	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-H2O-H"	-19.01839
"71909"	73.694324	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M-3H"	-3.021828
"513656"	111.045124	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M-3H"	-3.021828
"890363"	36.343524	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-3H"	-3.021828
"12228"	111.045124	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H"	-2.014552
"451788"	167.071324	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H"	-2.014552
"819018"	55.018924	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-2H"	-2.014552
"80470"	223.097524	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M-H"	-1.007276
"522581"	335.149924	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M-H"	-1.007276
"903662"	111.045124	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-H"	-1.007276
"55849"	240.124071	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H+NH4"	16.019271
"494316"	352.176471	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H+NH4"	16.019271
"872116"	128.071671	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-2H+NH4"	16.019271
"40017"	245.079466	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H+Na"	20.974666
"481765"	357.131866	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H+Na"	20.974666
"857379"	133.027066	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-2H+Na"	20.974666
"1626913"	133.027066	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Na-2H"	20.974666
"94690"	129.033463	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M-H+Cl"	33.962126
"534741"	185.059663	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M-H+Cl"	33.962126
"928499"	73.007263	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-H+Cl"	33.962126
"268878"	259.074202	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+Cl"	34.969402
"661782"	371.126602	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+Cl"	34.969402
"1272786"	147.021802	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl"	34.969402
"25743"	261.053406	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H+K"	36.948606
"460929"	373.105806	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H+K"	36.948606
"840920"	149.001006	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-2H+K"	36.948606
"1563314"	149.001006	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+K-2H"	36.948606
"951197"	157.050594	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-H+HCOOH"	44.998194
"367227"	269.103001	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+HCOOH-H"	44.998201
"347100"	283.118651	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+Hac-H"	59.013851
"1499943"	171.066251	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Hac-H"	59.013851
"963110"	179.032551	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-H+NaCOOH"	66.980151
"120764"	147.021802	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+2Cl"	69.938804
"554859"	203.048002	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+2Cl"	69.938804
"1023662"	90.995602	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2Cl"	69.938804
"1247614"	190.971285	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Br"	78.918885
"1313341"	193.027272	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl+HCOOH"	80.974872
"1329745"	215.009229	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl+NaCOOH"	102.956829
"918617"	225.037986	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M-H+CF3COOH"	112.985586
"1295326"	261.014664	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl+CF3COOH"	148.962264
"1376771"	77.039724	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H-2H2O"	-35.012676
"1390987"	95.0497	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H-H2O"	-17.0027
"288487"	225.112076	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+H"	1.007276
"685282"	337.164476	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+H"	1.007276
"1356162"	113.059676	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H"	1.007276
"131239"	113.059676	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+2H"	2.014552
"574084"	169.085876	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+2H"	2.014552
"1048351"	57.033476	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2H"	2.014552
"216252"	75.708876	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+3H"	3.021828
"658617"	113.059676	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+3H"	3.021828
"1172849"	38.358076	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+3H"	3.021828
"439285"	242.138623	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+NH4"	18.033823
"800282"	354.191023	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+NH4"	18.033823
"1696004"	130.086223	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+NH4"	18.033823
"344767"	121.5729495	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+H+NH4"	19.041099
"737677"	177.5991495	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+H+NH4"	19.041099
"1492230"	65.5467495	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H+NH4"	19.041099
"407502"	247.094018	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+Na"	22.989218
"767278"	359.146418	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+Na"	22.989218
"1616469"	135.041618	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Na"	22.989218
"326872"	124.050647	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+H+Na"	23.996494
"712735"	180.076847	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+H+Na"	23.996494
"1469832"	68.024447	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H+Na"	23.996494
"1060893"	45.68539	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2H+Na"	25.00377
"1262574"	145.085886	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+CH3OH+H"	33.033486
"386617"	263.067958	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+K"	38.963158
"748707"	375.120358	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+K"	38.963158
"1549666"	151.015558	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+K"	38.963158
"306844"	132.037617	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+H+K"	39.970434
"699261"	188.063817	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+H+K"	39.970434
"1454176"	76.011417	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H+K"	39.970434
"246058"	266.138626	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+ACN+H"	42.033826
"1214392"	154.086226	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+ACN+H"	42.033826
"1199368"	77.546751	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+ACN+2H"	43.041102
"192240"	269.07596	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+2Na-H"	44.97116
"628922"	381.12836	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+2Na-H"	44.97116
"1133117"	157.02356	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2Na-H"	44.97116
"178969"	135.041618	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+2Na"	45.978436
"615248"	191.067818	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+2Na"	45.978436
"1116687"	79.015418	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2Na"	45.978436
"1400456"	53.012704	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H+2Na"	46.985712
"1432938"	159.065146	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H+HCOOH"	47.012746
"220156"	140.07464	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+3H2O+2H"	56.04448
"1512518"	173.11719	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+IsoProp+H"	61.06479
"412569"	143.028588	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+Na+K"	61.952376
"774660"	199.054788	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+Na+K"	61.952376
"1672085"	87.002388	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Na+K"	61.952376
"254229"	288.120568	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+ACN+Na"	64.015768
"1231682"	176.068168	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+ACN+Na"	64.015768
"1716922"	176.091693	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+NH4+HCOOH"	64.039293
"1187017"	60.340018	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+3Na"	68.967654
"1658735"	181.047088	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Na+HCOOH"	68.994688
"164865"	301.02384	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+2K-H"	76.91904
"599322"	413.07624	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+2K-H"	76.91904
"1089668"	188.97144	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2K-H"	76.91904
"147579"	151.015558	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"2M+2K"	77.926316
"581706"	207.041758	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"3M+2K"	77.926316
"1072745"	94.989358	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2K"	77.926316
"1107048"	190.985992	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2K+H"	78.933592
"1336266"	191.073607	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+DMSO+H"	79.021207
"1005925"	195.112776	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2ACN+H"	83.060376
"1525711"	196.106408	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+IsoProp+Na+H"	84.054008
"993252"	98.060026	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+2ACN+2H"	84.067652
"1587231"	197.021028	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+K+HCOOH"	84.968628
"1422171"	227.052538	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+H+CF3COOH"	115.000138
"1156834"	118.573301	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+3ACN+2H"	125.094202
"1704198"	244.079085	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+NH4+CF3COOH"	132.026685
"1638755"	249.03448	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+Na+CF3COOH"	136.98208
"1586435"	265.00842	"C04091"	"cis-12-Dihydrobenzene-12-diol;cis-Benzeneglycol;cis-Cyclohexa-35-diene-12-diol"	"C6H8O2"	"112.0524"	"M+K+CF3COOH"	152.95602
"812429"	127.0633	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M"	0
"988515"	108.04491	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-H2O-H"	-19.01839
"74935"	83.7015906666667	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M-3H"	-3.021828
"513767"	126.056024	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M-3H"	-3.021828
"892660"	41.3471573333333	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-3H"	-3.021828
"13431"	126.056024	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H"	-2.014552
"455303"	189.587674	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H"	-2.014552
"822047"	62.524374	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H"	-2.014552
"80215"	253.119324	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M-H"	-1.007276
"524880"	380.182624	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M-H"	-1.007276
"905959"	126.056024	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-H"	-1.007276
"54866"	270.145871	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H+NH4"	16.019271
"496614"	397.209171	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H+NH4"	16.019271
"871135"	143.082571	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H+NH4"	16.019271
"44502"	275.101266	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H+Na"	20.974666
"481878"	402.164566	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H+Na"	20.974666
"860770"	148.037966	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H+Na"	20.974666
"1628118"	148.037966	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na-2H"	20.974666
"94559"	144.044363	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M-H+Cl"	33.962126
"536917"	207.576013	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M-H+Cl"	33.962126
"927871"	80.512713	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+Cl"	33.962126
"267404"	289.096002	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Cl"	34.969402
"662137"	416.159302	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+Cl"	34.969402
"1273562"	162.032702	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl"	34.969402
"28040"	291.075206	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M-2H+K"	36.948606
"466507"	418.138506	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M-2H+K"	36.948606
"839937"	164.011906	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-2H+K"	36.948606
"1564516"	164.011906	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+K-2H"	36.948606
"954222"	172.061494	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+HCOOH"	44.998194
"365150"	299.124801	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+HCOOH-H"	44.998201
"349034"	313.140451	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Hac-H"	59.013851
"1498960"	186.077151	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Hac-H"	59.013851
"961761"	194.043451	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+NaCOOH"	66.980151
"115408"	162.032702	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2Cl"	69.938804
"556064"	225.564352	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2Cl"	69.938804
"1025958"	98.501052	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2Cl"	69.938804
"1249911"	205.982185	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Br"	78.918885
"1314545"	208.038172	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl+HCOOH"	80.974872
"1328762"	230.020129	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl+NaCOOH"	102.956829
"924194"	240.048886	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M-H+CF3COOH"	112.985586
"1300904"	276.025564	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Cl+CF3COOH"	148.962264
"1377974"	92.050624	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H-2H2O"	-35.012676
"1393284"	110.0606	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H-H2O"	-17.0027
"294064"	255.133876	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H"	1.007276
"682112"	382.197176	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H"	1.007276
"1356272"	128.070576	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H"	1.007276
"126969"	128.070576	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2H"	2.014552
"576382"	191.602226	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2H"	2.014552
"1052639"	64.538926	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2H"	2.014552
"217455"	85.7161426666667	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+3H"	3.021828
"659703"	128.070576	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+3H"	3.021828
"1177708"	43.3617093333333	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+3H"	3.021828
"439399"	272.160423	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+NH4"	18.033823
"798321"	399.223723	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+NH4"	18.033823
"1696599"	145.097123	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+NH4"	18.033823
"344024"	136.5838495	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H+NH4"	19.041099
"738370"	200.1154995	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H+NH4"	19.041099
"1492091"	73.0521995	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+NH4"	19.041099
"407853"	277.115818	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Na"	22.989218
"767753"	404.179118	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+Na"	22.989218
"1610387"	150.052518	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na"	22.989218
"322610"	139.061547	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H+Na"	23.996494
"711023"	202.593197	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H+Na"	23.996494
"1468850"	75.529897	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+Na"	23.996494
"1055538"	50.6890233333333	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2H+Na"	25.00377
"1264871"	160.096786	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+CH3OH+H"	33.033486
"385634"	293.089758	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+K"	38.963158
"753193"	420.153058	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+K"	38.963158
"1554151"	166.026458	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+K"	38.963158
"311327"	147.048517	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+H+K"	39.970434
"698278"	210.580167	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+H+K"	39.970434
"1454286"	83.516867	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+K"	39.970434
"247991"	296.160426	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+ACN+H"	42.033826
"1214503"	169.097126	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+ACN+H"	42.033826
"1199479"	85.052201	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+ACN+2H"	43.041102
"193444"	299.09776	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2Na-H"	44.97116
"630938"	426.16106	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2Na-H"	44.97116
"1133227"	172.03446	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2Na-H"	44.97116
"175070"	150.052518	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2Na"	45.978436
"613778"	213.584168	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2Na"	45.978436
"1115942"	86.520868	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2Na"	45.978436
"1402754"	58.0163373333333	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+2Na"	46.985712
"1432684"	174.076046	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+HCOOH"	47.012746
"223838"	155.08554	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+3H2O+2H"	56.04448
"1511534"	188.12809	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+IsoProp+H"	61.06479
"410249"	158.039488	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+Na+K"	61.952376
"772584"	221.571138	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+Na+K"	61.952376
"1667822"	94.507838	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na+K"	61.952376
"253249"	318.142368	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+ACN+Na"	64.015768
"1235073"	191.079068	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+ACN+Na"	64.015768
"1719220"	191.102593	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+NH4+HCOOH"	64.039293
"1184940"	65.3436513333333	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+3Na"	68.967654
"1656293"	196.057988	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na+HCOOH"	68.994688
"161695"	331.04564	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2K-H"	76.91904
"602348"	458.10894	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2K-H"	76.91904
"1085038"	203.98234	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2K-H"	76.91904
"142584"	166.026458	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"2M+2K"	77.926316
"582873"	229.558108	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"3M+2K"	77.926316
"1071761"	102.494808	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2K"	77.926316
"1109345"	205.996892	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2K+H"	78.933592
"1340262"	206.084507	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+DMSO+H"	79.021207
"1010976"	210.123676	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2ACN+H"	83.060376
"1529103"	211.117308	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+IsoProp+Na+H"	84.054008
"990445"	105.565476	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+2ACN+2H"	84.067652
"1587384"	212.031928	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+K+HCOOH"	84.968628
"1424468"	242.063438	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+H+CF3COOH"	115.000138
"1155851"	126.078751	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+3ACN+2H"	125.094202
"1704308"	259.089985	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+NH4+CF3COOH"	132.026685
"1638865"	264.04538	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+Na+CF3COOH"	136.98208
"1576704"	280.01932	"C04092"	"delta1-Piperideine-2-carboxylate;12-Didehydropiperidine-2-carboxylate;1-Piperideine-2-carboxylate"	"C6H9NO2"	"127.0633"	"M+K+CF3COOH"	152.95602
"813637"	520.3403	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M"	0
"986081"	501.32191	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-H2O-H"	-19.01839
"74323"	345.886257333333	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M-3H"	-3.021828
"504164"	519.333024	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M-3H"	-3.021828
"882937"	172.439490666667	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-3H"	-3.021828
"1266"	519.333024	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M-2H"	-2.014552
"440338"	779.503174	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M-2H"	-2.014552
"818507"	259.162874	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-2H"	-2.014552
"78652"	1039.673324	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M-H"	-1.007276
"521704"	1560.013624	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M-H"	-1.007276
"898169"	519.333024	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-H"	-1.007276
"52787"	1056.699871	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M-2H+NH4"	16.019271
"489432"	1577.040171	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M-2H+NH4"	16.019271
"864918"	536.359571	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-2H+NH4"	16.019271
"34771"	1061.655266	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M-2H+Na"	20.974666
"471692"	1581.995566	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M-2H+Na"	20.974666
"848969"	541.314966	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-2H+Na"	20.974666
"1618987"	541.314966	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Na-2H"	20.974666
"95027"	537.321363	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M-H+Cl"	33.962126
"537031"	797.491513	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M-H+Cl"	33.962126
"930182"	277.151213	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-H+Cl"	33.962126
"274206"	1075.650002	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+Cl"	34.969402
"667721"	1595.990302	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+Cl"	34.969402
"1277938"	555.309702	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Cl"	34.969402
"28150"	1077.629206	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M-2H+K"	36.948606
"468804"	1597.969506	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M-2H+K"	36.948606
"846606"	557.288906	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-2H+K"	36.948606
"1563536"	557.288906	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+K-2H"	36.948606
"949230"	565.338494	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-H+HCOOH"	44.998194
"367444"	1085.678801	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+HCOOH-H"	44.998201
"350236"	1099.694451	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+Hac-H"	59.013851
"1494694"	579.354151	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Hac-H"	59.013851
"959319"	587.320451	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-H+NaCOOH"	66.980151
"113331"	555.309702	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+2Cl"	69.938804
"553619"	815.479852	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+2Cl"	69.938804
"1026061"	295.139552	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2Cl"	69.938804
"1244544"	599.259185	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Br"	78.918885
"1308089"	601.315172	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Cl+HCOOH"	80.974872
"1325588"	623.297129	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Cl+NaCOOH"	102.956829
"921755"	633.325886	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M-H+CF3COOH"	112.985586
"1298828"	669.302564	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Cl+CF3COOH"	148.962264
"1374805"	485.327624	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H-2H2O"	-35.012676
"1385739"	503.3376	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H-H2O"	-17.0027
"284334"	1041.687876	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+H"	1.007276
"683319"	1562.028176	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+H"	1.007276
"1357480"	521.347576	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H"	1.007276
"138026"	521.347576	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+2H"	2.014552
"580831"	781.517726	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+2H"	2.014552
"1052466"	261.177426	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2H"	2.014552
"217571"	347.900809333333	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+3H"	3.021828
"658223"	521.347576	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+3H"	3.021828
"1178448"	174.454042666667	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+3H"	3.021828
"439588"	1058.714423	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+NH4"	18.033823
"800138"	1579.054723	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+NH4"	18.033823
"1692577"	538.374123	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+NH4"	18.033823
"344135"	529.8608495	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+H+NH4"	19.041099
"738013"	790.0309995	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+H+NH4"	19.041099
"1490376"	269.6906995	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H+NH4"	19.041099
"405414"	1063.669818	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+Na"	22.989218
"766771"	1584.010118	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+Na"	22.989218
"1613776"	543.329518	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Na"	22.989218
"320534"	532.338547	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+H+Na"	23.996494
"711863"	792.508697	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+H+Na"	23.996494
"1468965"	272.168397	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H+Na"	23.996494
"1062212"	181.781356666667	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2H+Na"	25.00377
"1262799"	553.373786	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+CH3OH+H"	33.033486
"386840"	1079.643758	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+K"	38.963158
"748928"	1599.984058	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+K"	38.963158
"1547698"	559.303458	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+K"	38.963158
"304878"	540.325517	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+H+K"	39.970434
"699485"	800.495667	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+H+K"	39.970434
"1447836"	280.155367	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H+K"	39.970434
"237894"	1082.714426	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+ACN+H"	42.033826
"1210608"	562.374126	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+ACN+H"	42.033826
"1195590"	281.690701	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+ACN+2H"	43.041102
"189552"	1085.65176	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+2Na-H"	44.97116
"634585"	1605.99206	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+2Na-H"	44.97116
"1135901"	565.31146	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2Na-H"	44.97116
"176275"	543.329518	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+2Na"	45.978436
"620579"	803.499668	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+2Na"	45.978436
"1120805"	283.159368	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2Na"	45.978436
"1407607"	189.108670666667	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H+2Na"	46.985712
"1438634"	567.353046	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H+HCOOH"	47.012746
"231613"	548.36254	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+3H2O+2H"	56.04448
"1517488"	581.40509	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+IsoProp+H"	61.06479
"419358"	551.316488	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+Na+K"	61.952376
"779261"	811.486638	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+Na+K"	61.952376
"1674500"	291.146338	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Na+K"	61.952376
"259194"	1104.696368	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+ACN+Na"	64.015768
"1228986"	584.356068	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+ACN+Na"	64.015768
"1715686"	584.379593	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+NH4+HCOOH"	64.039293
"1185050"	196.435984666667	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+3Na"	68.967654
"1660046"	589.334988	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Na+HCOOH"	68.994688
"161441"	1117.59964	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+2K-H"	76.91904
"602093"	1637.93994	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+2K-H"	76.91904
"1086605"	597.25934	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2K-H"	76.91904
"142693"	559.303458	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"2M+2K"	77.926316
"585171"	819.473608	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"3M+2K"	77.926316
"1072964"	299.133308	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2K"	77.926316
"1100947"	599.273892	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2K+H"	78.933592
"1340369"	599.361507	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+DMSO+H"	79.021207
"1006224"	603.400676	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2ACN+H"	83.060376
"1524592"	604.394308	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+IsoProp+Na+H"	84.054008
"990193"	302.203976	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+2ACN+2H"	84.067652
"1593450"	605.308928	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+K+HCOOH"	84.968628
"1423484"	635.340438	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+H+CF3COOH"	115.000138
"1150494"	322.717251	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+3ACN+2H"	125.094202
"1701138"	652.366985	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+NH4+CF3COOH"	132.026685
"1637885"	657.32238	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+Na+CF3COOH"	136.98208
"1583379"	673.29632	"C04100"	"1-Linoleoylglycerophosphocholine;1-Linoleoyl-sn-glycero-3-phosphocholine"	"C26H51NO7P"	"520.3403"	"M+K+CF3COOH"	152.95602
"813747"	484.0853	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M"	0
"987286"	465.06691	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-H2O-H"	-19.01839
"75528"	321.716257333333	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M-3H"	-3.021828
"504154"	483.078024	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M-3H"	-3.021828
"880738"	160.354490666667	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-3H"	-3.021828
"762"	483.078024	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M-2H"	-2.014552
"442275"	725.120674	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M-2H"	-2.014552
"820440"	241.035374	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-2H"	-2.014552
"80067"	967.163324	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M-H"	-1.007276
"520356"	1451.248624	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M-H"	-1.007276
"897792"	483.078024	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-H"	-1.007276
"50710"	984.189871	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M-2H+NH4"	16.019271
"488447"	1468.275171	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M-2H+NH4"	16.019271
"865882"	500.104571	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-2H+NH4"	16.019271
"32689"	989.145266	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M-2H+Na"	20.974666
"472372"	1473.230566	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M-2H+Na"	20.974666
"849076"	505.059966	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-2H+Na"	20.974666
"1618931"	505.059966	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Na-2H"	20.974666
"95014"	501.066363	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M-H+Cl"	33.962126
"534580"	743.109013	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M-H+Cl"	33.962126
"930292"	259.023713	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-H+Cl"	33.962126
"274316"	1003.140002	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+Cl"	34.969402
"667831"	1487.225302	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+Cl"	34.969402
"1279141"	519.054702	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Cl"	34.969402
"28260"	1005.119206	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M-2H+K"	36.948606
"463446"	1489.204506	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M-2H+K"	36.948606
"846716"	521.033906	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-2H+K"	36.948606
"1564739"	521.033906	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+K-2H"	36.948606
"948245"	529.083494	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-H+HCOOH"	44.998194
"368647"	1013.168801	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+HCOOH-H"	44.998201
"350345"	1027.184451	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+Hac-H"	59.013851
"1496990"	543.099151	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Hac-H"	59.013851
"959791"	551.065451	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-H+NaCOOH"	66.980151
"114534"	519.054702	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+2Cl"	69.938804
"552267"	761.097352	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+2Cl"	69.938804
"1025078"	277.012052	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2Cl"	69.938804
"1244290"	563.004185	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Br"	78.918885
"1306376"	565.060172	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Cl+HCOOH"	80.974872
"1325698"	587.042129	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Cl+NaCOOH"	102.956829
"925874"	597.070886	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M-H+CF3COOH"	112.985586
"1298938"	633.047564	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Cl+CF3COOH"	148.962264
"1374915"	449.072624	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H-2H2O"	-35.012676
"1383536"	467.0826	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H-H2O"	-17.0027
"285537"	969.177876	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+H"	1.007276
"683429"	1453.263176	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+H"	1.007276
"1357590"	485.092576	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H"	1.007276
"138136"	485.092576	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+2H"	2.014552
"580700"	727.135226	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+2H"	2.014552
"1051602"	243.049926	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2H"	2.014552
"217317"	323.730809333333	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+3H"	3.021828
"658333"	485.092576	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+3H"	3.021828
"1177928"	162.369042666667	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+3H"	3.021828
"439827"	986.204423	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+NH4"	18.033823
"799520"	1470.289723	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+NH4"	18.033823
"1693780"	502.119123	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+NH4"	18.033823
"342059"	493.6058495	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+H+NH4"	19.041099
"735571"	735.6484995	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+H+NH4"	19.041099
"1491578"	251.5631995	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H+NH4"	19.041099
"403701"	991.159818	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+Na"	22.989218
"765788"	1475.245118	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+Na"	22.989218
"1614978"	507.074518	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Na"	22.989218
"322831"	496.083547	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+H+Na"	23.996494
"713066"	738.126197	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+H+Na"	23.996494
"1469075"	254.040897	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H+Na"	23.996494
"1067551"	169.696356666667	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2H+Na"	25.00377
"1264004"	517.118786	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+CH3OH+H"	33.033486
"383668"	1007.133758	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+K"	38.963158
"747944"	1491.219058	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+K"	38.963158
"1545621"	523.048458	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+K"	38.963158
"303894"	504.070517	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+H+K"	39.970434
"698501"	746.113167	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+H+K"	39.970434
"1446855"	262.027867	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H+K"	39.970434
"236911"	1010.204426	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+ACN+H"	42.033826
"1211815"	526.119126	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+ACN+H"	42.033826
"1196065"	263.563201	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+ACN+2H"	43.041102
"189903"	1013.14176	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+2Na-H"	44.97116
"633238"	1497.22706	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+2Na-H"	44.97116
"1133826"	529.05646	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2Na-H"	44.97116
"175658"	507.074518	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+2Na"	45.978436
"614491"	749.117168	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+2Na"	45.978436
"1120915"	265.031868	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2Na"	45.978436
"1409905"	177.023670666667	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H+2Na"	46.985712
"1442026"	531.098046	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H+HCOOH"	47.012746
"233910"	512.10754	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+3H2O+2H"	56.04448
"1521972"	545.15009	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+IsoProp+H"	61.06479
"421656"	515.061488	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+Na+K"	61.952376
"781558"	757.104138	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+Na+K"	61.952376
"1674610"	273.018838	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Na+K"	61.952376
"258211"	1032.186368	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+ACN+Na"	64.015768
"1234930"	548.101068	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+ACN+Na"	64.015768
"1716525"	548.124593	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+NH4+HCOOH"	64.039293
"1181879"	184.350984666667	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+3Na"	68.967654
"1660158"	553.079988	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Na+HCOOH"	68.994688
"163738"	1045.08964	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+2K-H"	76.91904
"602204"	1529.17494	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+2K-H"	76.91904
"1088173"	561.00434	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2K-H"	76.91904
"142677"	523.048458	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"2M+2K"	77.926316
"585281"	765.091108	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"3M+2K"	77.926316
"1070036"	281.005808	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2K"	77.926316
"1101299"	563.018892	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2K+H"	78.933592
"1337563"	563.106507	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+DMSO+H"	79.021207
"1007064"	567.145676	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2ACN+H"	83.060376
"1524695"	568.139308	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+IsoProp+Na+H"	84.054008
"990543"	284.076476	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+2ACN+2H"	84.067652
"1592467"	569.053928	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+K+HCOOH"	84.968628
"1420314"	599.085438	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+H+CF3COOH"	115.000138
"1150604"	304.589751	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+3ACN+2H"	125.094202
"1701248"	616.111985	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+NH4+CF3COOH"	132.026685
"1637995"	621.06738	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+Na+CF3COOH"	136.98208
"1583489"	637.04132	"C04101"	"1-O6-O-Digalloyl-beta-D-glucose"	"C20H20O14"	"484.0853"	"M+K+CF3COOH"	152.95602
"812764"	496.3403	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M"	0
"988853"	477.32191	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-H2O-H"	-19.01839
"74546"	329.886257333333	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M-3H"	-3.021828
"505358"	495.333024	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M-3H"	-3.021828
"881333"	164.439490666667	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-3H"	-3.021828
"2823"	495.333024	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M-2H"	-2.014552
"443842"	743.503174	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M-2H"	-2.014552
"818727"	247.162874	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-2H"	-2.014552
"78920"	991.673324	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M-H"	-1.007276
"521194"	1488.013624	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M-H"	-1.007276
"895876"	495.333024	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-H"	-1.007276
"48267"	1008.699871	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M-2H+NH4"	16.019271
"487132"	1505.040171	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M-2H+NH4"	16.019271
"864446"	512.359571	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-2H+NH4"	16.019271
"31821"	1013.655266	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M-2H+Na"	20.974666
"471634"	1509.995566	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M-2H+Na"	20.974666
"848698"	517.314966	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-2H+Na"	20.974666
"1618676"	517.314966	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Na-2H"	20.974666
"95499"	513.321363	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M-H+Cl"	33.962126
"534563"	761.491513	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M-H+Cl"	33.962126
"930402"	265.151213	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-H+Cl"	33.962126
"272239"	1027.650002	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+Cl"	34.969402
"669034"	1523.990302	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+Cl"	34.969402
"1278158"	531.309702	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Cl"	34.969402
"28370"	1029.629206	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M-2H+K"	36.948606
"461370"	1525.969506	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M-2H+K"	36.948606
"846826"	533.288906	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-2H+K"	36.948606
"1563756"	533.288906	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+K-2H"	36.948606
"943983"	541.338494	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-H+HCOOH"	44.998194
"364385"	1037.678801	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+HCOOH-H"	44.998201
"346204"	1051.694451	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+Hac-H"	59.013851
"1494185"	555.354151	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Hac-H"	59.013851
"959297"	563.320451	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-H+NaCOOH"	66.980151
"114644"	531.309702	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+2Cl"	69.938804
"552012"	779.479852	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+2Cl"	69.938804
"1025552"	283.139552	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2Cl"	69.938804
"1244035"	575.259185	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Br"	78.918885
"1305029"	577.315172	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Cl+HCOOH"	80.974872
"1325808"	599.297129	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Cl+NaCOOH"	102.956829
"926592"	609.325886	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M-H+CF3COOH"	112.985586
"1299048"	645.302564	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Cl+CF3COOH"	148.962264
"1375025"	461.327624	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H-2H2O"	-35.012676
"1383772"	479.3376	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H-H2O"	-17.0027
"284554"	993.687876	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+H"	1.007276
"684632"	1490.028176	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+H"	1.007276
"1357700"	497.347576	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H"	1.007276
"136058"	497.347576	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+2H"	2.014552
"581356"	745.517726	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+2H"	2.014552
"1051711"	249.177426	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2H"	2.014552
"217791"	331.900809333333	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+3H"	3.021828
"657349"	497.347576	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+3H"	3.021828
"1178237"	166.454042666667	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+3H"	3.021828
"439868"	1010.714423	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+NH4"	18.033823
"800716"	1507.054723	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+NH4"	18.033823
"1691701"	514.374123	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+NH4"	18.033823
"341076"	505.8608495	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+H+NH4"	19.041099
"735681"	754.0309995	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+H+NH4"	19.041099
"1489502"	257.6906995	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H+NH4"	19.041099
"400530"	1015.669818	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+Na"	22.989218
"765897"	1512.010118	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+Na"	22.989218
"1616181"	519.329518	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Na"	22.989218
"321845"	508.338547	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+H+Na"	23.996494
"713173"	756.508697	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+H+Na"	23.996494
"1465903"	260.168397	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H+Na"	23.996494
"1066082"	173.781356666667	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2H+Na"	25.00377
"1265207"	529.373786	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+CH3OH+H"	33.033486
"385966"	1031.643758	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+K"	38.963158
"746962"	1527.984058	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+K"	38.963158
"1545732"	535.303458	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+K"	38.963158
"302910"	516.325517	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+H+K"	39.970434
"697517"	764.495667	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+H+K"	39.970434
"1446599"	268.155367	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H+K"	39.970434
"238113"	1034.714426	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+ACN+H"	42.033826
"1210706"	538.374126	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+ACN+H"	42.033826
"1197633"	269.690701	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+ACN+2H"	43.041102
"189773"	1037.65176	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+2Na-H"	44.97116
"631160"	1533.99206	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+2Na-H"	44.97116
"1134665"	541.31146	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2Na-H"	44.97116
"176861"	519.329518	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+2Na"	45.978436
"614964"	767.499668	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+2Na"	45.978436
"1122117"	271.159368	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2Na"	45.978436
"1406735"	181.108670666667	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H+2Na"	46.985712
"1443230"	543.353046	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H+HCOOH"	47.012746
"232926"	524.36254	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+3H2O+2H"	56.04448
"1518802"	557.40509	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+IsoProp+H"	61.06479
"422740"	527.316488	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+Na+K"	61.952376
"781668"	775.486638	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+Na+K"	61.952376
"1678000"	279.146338	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Na+K"	61.952376
"259051"	1056.696368	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+ACN+Na"	64.015768
"1237956"	560.356068	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+ACN+Na"	64.015768
"1721737"	560.379593	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+NH4+HCOOH"	64.039293
"1184905"	188.435984666667	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+3Na"	68.967654
"1656986"	565.334988	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Na+HCOOH"	68.994688
"162025"	1069.59964	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+2K-H"	76.91904
"599397"	1565.93994	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+2K-H"	76.91904
"1087190"	573.25934	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2K-H"	76.91904
"143639"	535.303458	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"2M+2K"	77.926316
"582594"	783.473608	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"3M+2K"	77.926316
"1070997"	287.133308	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2K"	77.926316
"1100679"	575.273892	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2K+H"	78.933592
"1336701"	575.361507	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+DMSO+H"	79.021207
"1006323"	579.400676	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2ACN+H"	83.060376
"1524810"	580.394308	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+IsoProp+Na+H"	84.054008
"990411"	290.203976	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+2ACN+2H"	84.067652
"1592577"	581.308928	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+K+HCOOH"	84.968628
"1420424"	611.340438	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+H+CF3COOH"	115.000138
"1153994"	310.717251	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+3ACN+2H"	125.094202
"1701358"	628.366985	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+NH4+CF3COOH"	132.026685
"1638105"	633.32238	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+Na+CF3COOH"	136.98208
"1583599"	649.29632	"C04102"	"1-Palmitoylglycerophosphocholine;1-Palmitoyl-sn-glycero-3-phosphocholine"	"C24H51NO7P"	"496.3403"	"M+K+CF3COOH"	152.95602
"812874"	518.3819	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M"	0
"985319"	499.36351	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-H2O-H"	-19.01839
"73561"	344.580657333333	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M-3H"	-3.021828
"503644"	517.374624	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M-3H"	-3.021828
"879995"	171.786690666667	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-3H"	-3.021828
"42"	517.374624	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M-2H"	-2.014552
"443588"	776.565574	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M-2H"	-2.014552
"817744"	258.183674	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-2H"	-2.014552
"78660"	1035.756524	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M-H"	-1.007276
"518689"	1554.138424	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M-H"	-1.007276
"895738"	517.374624	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-H"	-1.007276
"47150"	1052.783071	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M-2H+NH4"	16.019271
"487186"	1571.164971	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M-2H+NH4"	16.019271
"864294"	534.401171	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-2H+NH4"	16.019271
"31450"	1057.738466	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M-2H+Na"	20.974666
"471422"	1576.120366	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M-2H+Na"	20.974666
"848592"	539.356566	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-2H+Na"	20.974666
"1618564"	539.356566	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Na-2H"	20.974666
"94593"	535.362963	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M-H+Cl"	33.962126
"534303"	794.553913	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M-H+Cl"	33.962126
"927106"	276.172013	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-H+Cl"	33.962126
"269431"	1071.733202	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+Cl"	34.969402
"668051"	1590.115102	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+Cl"	34.969402
"1281549"	553.351302	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Cl"	34.969402
"19002"	1073.712406	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M-2H+K"	36.948606
"460382"	1592.094306	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M-2H+K"	36.948606
"836362"	555.330506	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-2H+K"	36.948606
"1563866"	555.330506	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+K-2H"	36.948606
"944090"	563.380094	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-H+HCOOH"	44.998194
"362668"	1081.762001	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+HCOOH-H"	44.998201
"346070"	1095.777651	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+Hac-H"	59.013851
"1493564"	577.395751	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Hac-H"	59.013851
"959284"	585.362051	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-H+NaCOOH"	66.980151
"111838"	553.351302	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+2Cl"	69.938804
"552487"	812.542252	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+2Cl"	69.938804
"1024931"	294.160352	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2Cl"	69.938804
"1241670"	597.300785	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Br"	78.918885
"1305867"	599.356772	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Cl+HCOOH"	80.974872
"1320569"	621.338729	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Cl+NaCOOH"	102.956829
"925365"	631.367486	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M-H+CF3COOH"	112.985586
"1299158"	667.344164	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Cl+CF3COOH"	148.962264
"1375135"	483.369224	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H-2H2O"	-35.012676
"1383882"	501.3792	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H-H2O"	-17.0027
"284664"	1037.771076	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+H"	1.007276
"683649"	1556.152976	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+H"	1.007276
"1357810"	519.389176	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H"	1.007276
"132887"	519.389176	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+2H"	2.014552
"579011"	778.580126	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+2H"	2.014552
"1051456"	260.198226	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2H"	2.014552
"217900"	346.595209333333	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+3H"	3.021828
"658189"	519.389176	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+3H"	3.021828
"1175584"	173.801242666667	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+3H"	3.021828
"439878"	1054.797623	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+NH4"	18.033823
"800217"	1573.179523	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+NH4"	18.033823
"1694726"	536.415723	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+NH4"	18.033823
"343369"	527.9024495	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+H+NH4"	19.041099
"732512"	787.0933995	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+H+NH4"	19.041099
"1486331"	268.7114995	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H+NH4"	19.041099
"400638"	1059.753018	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+Na"	22.989218
"761633"	1578.134918	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+Na"	22.989218
"1608636"	541.371118	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Na"	22.989218
"317582"	530.380147	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+H+Na"	23.996494
"708908"	789.571097	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+H+Na"	23.996494
"1464554"	271.189197	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H+Na"	23.996494
"1065461"	181.128556666667	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2H+Na"	25.00377
"1268595"	551.415386	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+CH3OH+H"	33.033486
"384982"	1075.726958	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+K"	38.963158
"741966"	1594.108858	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+K"	38.963158
"1550216"	557.345058	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+K"	38.963158
"307391"	538.367117	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+H+K"	39.970434
"694344"	797.558067	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+H+K"	39.970434
"1445718"	279.176167	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H+K"	39.970434
"236157"	1078.797626	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+ACN+H"	42.033826
"1210071"	560.415726	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+ACN+H"	42.033826
"1196649"	280.711501	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+ACN+2H"	43.041102
"188568"	1081.73496	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+2Na-H"	44.97116
"632728"	1600.11686	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+2Na-H"	44.97116
"1134775"	563.35306	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2Na-H"	44.97116
"176971"	541.371118	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+2Na"	45.978436
"615439"	800.562068	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+2Na"	45.978436
"1122956"	282.180168	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2Na"	45.978436
"1406845"	188.455870666667	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H+2Na"	46.985712
"1441154"	565.394646	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H+HCOOH"	47.012746
"231943"	546.40414	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+3H2O+2H"	56.04448
"1518912"	579.44669	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+IsoProp+H"	61.06479
"422972"	549.358088	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+Na+K"	61.952376
"778499"	808.549038	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+Na+K"	61.952376
"1677017"	290.167138	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Na+K"	61.952376
"259161"	1100.779568	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+ACN+Na"	64.015768
"1234055"	582.397668	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+ACN+Na"	64.015768
"1718565"	582.421193	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+NH4+HCOOH"	64.039293
"1182099"	195.783184666667	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+3Na"	68.967654
"1657096"	587.376588	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Na+HCOOH"	68.994688
"162499"	1113.68284	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+2K-H"	76.91904
"598290"	1632.06474	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+2K-H"	76.91904
"1084744"	595.30094	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2K-H"	76.91904
"142287"	557.345058	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"2M+2K"	77.926316
"581499"	816.536008	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"3M+2K"	77.926316
"1071107"	298.154108	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2K"	77.926316
"1100668"	597.315492	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2K+H"	78.933592
"1335754"	597.403107	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+DMSO+H"	79.021207
"1005767"	601.442276	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2ACN+H"	83.060376
"1524553"	602.435908	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+IsoProp+Na+H"	84.054008
"990115"	301.224776	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+2ACN+2H"	84.067652
"1592687"	603.350528	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+K+HCOOH"	84.968628
"1420534"	633.382038	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+H+CF3COOH"	115.000138
"1154104"	321.738051	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+3ACN+2H"	125.094202
"1701468"	650.408585	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+NH4+CF3COOH"	132.026685
"1638215"	655.36398	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+Na+CF3COOH"	136.98208
"1583709"	671.33792	"C04103"	"13-beta-D-Glucosyloxydocosanoate"	"C28H54O8"	"518.3819"	"M+K+CF3COOH"	152.95602
"814077"	148.0736	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M"	0
"986522"	129.05521	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"73670"	97.7084573333333	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"505578"	147.066324	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"881189"	48.3505906666667	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"244"	147.066324	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"440780"	221.103124	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"820404"	73.029524	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"79170"	295.139924	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"518983"	443.213524	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"895846"	147.066324	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"51039"	312.166471	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"487353"	460.240071	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"864742"	164.092871	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"31918"	317.121866	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"471964"	465.195466	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"849072"	169.048266	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1618651"	169.048266	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"94580"	165.054663	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"534374"	239.091463	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"927532"	91.017863	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"271727"	331.116602	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"666701"	479.190202	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1277282"	183.043002	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"20568"	333.095806	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"461221"	481.169406	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"837564"	185.022206	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1558501"	185.022206	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"943506"	193.071794	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"362776"	341.145401	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"346659"	355.161051	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1493178"	207.087451	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"958816"	215.053751	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"110280"	183.043002	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"550525"	257.079802	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1021675"	109.006202	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1241697"	226.992485	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1305977"	229.048472	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1320556"	251.030429	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"926448"	261.059186	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1299268"	297.035864	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1370142"	113.060924	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1384355"	131.0709	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"283681"	297.154476	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"682665"	445.228076	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1355733"	149.080876	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"132997"	149.080876	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"574747"	223.117676	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1051808"	75.044076	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"218009"	99.7230093333333	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"658300"	149.080876	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1177152"	50.3651426666667	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"439094"	314.181023	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"799962"	462.254623	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1693742"	166.107423	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"343113"	157.5941495	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"731529"	231.6309495	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1483162"	83.5573495	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"400748"	319.136418	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"760649"	467.210018	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1608746"	171.062818	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"316598"	160.071847	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"708655"	234.108647	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1466121"	86.035047	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1060466"	57.6924566666667	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1264331"	181.107086	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"379987"	335.110358	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"741710"	483.183958	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1540847"	187.036758	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"299846"	168.058817	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"691777"	242.095617	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1446250"	94.022017	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"236384"	338.181026	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1209915"	190.107426	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1194566"	95.557351	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"189991"	341.11836	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"630040"	489.19196	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1133426"	193.04476	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"174888"	171.062818	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"614090"	245.099618	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1120879"	97.026018	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1401485"	65.0197706666667	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1437982"	195.086346	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"225493"	176.09584	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1513553"	209.13839	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"412146"	179.049788	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"773868"	253.086588	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1670565"	105.012988	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"257083"	360.162968	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1230156"	212.089368	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1714302"	212.112893	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1179293"	72.3470846666667	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1656113"	217.068288	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"161152"	373.06624	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"598399"	521.13984	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1086675"	224.99264	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"142154"	187.036758	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"581840"	261.073558	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1069026"	112.999958	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1100287"	227.007192	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1337278"	227.094807	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1006901"	231.133976	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1524541"	232.127608	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"990746"	116.070626	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1588424"	233.042228	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1420644"	263.073738	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1147774"	136.583901	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1698662"	280.100285	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1637232"	285.05568	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1583819"	301.02962	"C04104"	"23-Dihydroxy-3-methylpentanoate;23-Dihydroxy-3-methylvalerate"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"813094"	142.0266	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M"	0
"987726"	123.00821	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"73780"	93.677124	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"503501"	141.019324	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"881056"	46.334924	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"722"	141.019324	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"440521"	212.032624	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"819422"	70.006024	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"79285"	283.045924	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"523346"	425.072524	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"897867"	141.019324	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"54430"	300.072471	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"493990"	442.099071	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"869605"	158.045871	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"37505"	305.027866	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"481442"	447.054466	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"858148"	163.001266	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1622215"	163.001266	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"94975"	159.007663	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"534780"	230.020963	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"928174"	87.994363	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"270015"	319.022602	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"668271"	461.049202	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1275569"	176.996002	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"22138"	321.001806	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"460966"	463.028406	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"837310"	178.975206	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1558613"	178.975206	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"946133"	187.024794	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"364713"	329.051401	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"348593"	343.067051	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1493292"	201.040451	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"959011"	209.006751	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"112052"	176.996002	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"551612"	248.009302	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1021501"	105.982702	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1241445"	220.945485	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1305724"	223.001472	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1322492"	244.983429	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"926442"	255.012186	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1303633"	290.988864	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1372075"	107.013924	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1391756"	125.0239	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"284155"	285.060476	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"686055"	427.087076	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1355843"	143.033876	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"130920"	143.033876	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"578137"	214.047176	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1050948"	72.020576	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"217756"	95.691676	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"657681"	143.033876	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1176532"	48.349476	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"439325"	302.087023	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"800074"	444.113623	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1694217"	160.060423	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"343223"	151.5471495	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"731639"	222.5604495	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1486552"	80.5338495	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"401952"	307.042418	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"761853"	449.069018	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1613230"	165.015818	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"317801"	154.024847	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"712409"	225.038147	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1467325"	83.011547	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1061670"	55.67679	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1262255"	175.060086	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"384105"	323.016358	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"744008"	465.042958	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1544966"	180.989758	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"305423"	162.011817	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"693470"	233.025117	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1446807"	90.998517	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"236011"	326.087026	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1210422"	184.060426	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1195527"	92.533851	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"189242"	329.02436	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"630031"	471.05096	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1133171"	186.99776	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"175727"	165.015818	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"615291"	236.029118	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1120989"	94.002518	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1401958"	63.004104	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1435905"	189.039346	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"224509"	170.04884	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1510747"	203.09139	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"413349"	173.002788	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"773978"	244.016088	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1673955"	101.989488	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"256465"	348.068968	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1231359"	206.042368	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1715505"	206.065893	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1181953"	70.331418	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1654035"	211.021288	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"161260"	360.97224	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"600451"	502.99884	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1087514"	218.94564	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"151622"	180.989758	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"584620"	252.003058	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1071320"	109.976458	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1101250"	220.960192	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1337267"	221.047807	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1006769"	225.086976	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1524410"	226.080608	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"990372"	113.047126	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1587923"	226.995228	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1414794"	257.026738	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1147396"	133.560401	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1698404"	274.053285	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1636249"	279.00868	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1583929"	294.98262	"C04105"	"25-Dihydro-5-oxofuran-2-acetate;2-Oxo-25-dihydrofuran-5-acetate;Muconolactone;5-Oxo-25-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"813204"	132.0423	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M"	0
"989632"	113.02391	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"74983"	87.020924	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"505797"	131.035024	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"883597"	43.006824	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"1441"	131.035024	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"440307"	197.056174	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"819532"	65.013874	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"79883"	263.077324	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"523456"	395.119624	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"896514"	131.035024	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"53446"	280.103871	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"495194"	412.146171	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"868621"	148.061571	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"40895"	285.059266	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"482646"	417.101566	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"860445"	153.016966	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1620502"	153.016966	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"95574"	149.023363	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"535129"	215.044513	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"932295"	83.002213	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"270853"	299.054002	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"668381"	431.096302	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1275314"	167.011702	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"21155"	301.033206	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"460713"	433.075506	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"835600"	168.990906	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1558359"	168.990906	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"945515"	177.040494	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"365916"	309.082801	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"346883"	323.098451	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1493402"	191.056151	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"960342"	199.022451	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"110183"	167.011702	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"552451"	233.032852	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1022709"	100.990552	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1242408"	210.961185	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1304369"	213.017172	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1321138"	234.999129	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"911627"	245.027886	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1288666"	281.004564	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1378741"	97.029624	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1392955"	115.0396	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"284994"	265.091876	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"686165"	397.134176	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1357046"	133.049576	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"132123"	133.049576	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"578247"	199.070726	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1047045"	67.028426	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"217867"	89.035476	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"658885"	133.049576	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1176643"	45.021376	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"439188"	282.118423	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"800548"	414.160723	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1695786"	150.076123	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"342604"	141.5628495	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"732476"	207.5839995	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1486662"	75.5416995	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"403155"	287.073818	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"764149"	419.116118	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1615527"	155.031518	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"324471"	144.040547	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"711426"	210.061697	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1466340"	78.019397	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1060687"	52.34869	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1264552"	165.075786	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"384215"	303.047758	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"743024"	435.090058	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1545076"	171.005458	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"305532"	152.027517	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"693580"	218.048667	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1446675"	86.006367	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"236487"	306.118426	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1210289"	174.076126	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1196612"	87.541701	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"189113"	309.05576	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"631234"	441.09806	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1133646"	177.01346	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"176202"	155.031518	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"615404"	221.052668	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1119274"	89.010368	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1400974"	59.676004	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1434192"	179.055046	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"223155"	160.06454	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1510857"	193.10709	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"414552"	163.018488	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"775910"	229.039638	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1678437"	96.997338	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"261676"	328.100368	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1233290"	196.058068	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1715977"	196.081593	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1182062"	67.003318	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1651467"	201.036988	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"159300"	341.00364	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"599102"	473.04594	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1086895"	208.96134	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"145171"	171.005458	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"582664"	237.026608	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1073617"	104.984308	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1101237"	210.975892	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1337747"	211.063507	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1006272"	215.102676	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1524558"	216.096308	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"990118"	108.054976	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1588276"	217.010928	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1414335"	247.042438	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1149329"	128.568251	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1697420"	264.068985	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1636359"	269.02438	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1584039"	284.99832	"C04106"	"2-(Hydroxymethyl)-4-oxobutanoate;alpha-Hydroxymethyl succinate semialdehyde;2-Hydroxymethyl succinate semialdehyde"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"813314"	330.2195	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M"	0
"986853"	311.20111	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"72907"	219.139057333333	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"503004"	329.212224	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"880549"	109.065890666667	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"2281"	329.212224	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"440380"	494.321974	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"822922"	164.102474	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"79020"	659.431724	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"525754"	989.651224	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"898451"	329.212224	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"54651"	676.458271	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"494210"	1006.677771	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"870918"	346.238771	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"36633"	681.413666	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"472306"	1011.633166	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"849622"	351.194166	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1621342"	351.194166	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"98601"	347.200563	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"537795"	512.310313	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"931312"	182.090813	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"270235"	695.408402	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"668491"	1025.627902	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1275424"	365.188902	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"21265"	697.387606	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"460823"	1027.607106	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"835710"	367.168106	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1556282"	367.168106	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"946352"	375.217694	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"363110"	705.437201	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"348452"	719.452851	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1493515"	389.233351	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"961911"	397.199651	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"110162"	365.188902	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"551469"	530.298652	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1022459"	200.079152	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1241833"	409.138385	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1305579"	411.194372	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1321612"	433.176329	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"912064"	443.205086	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1289020"	479.181764	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1375571"	295.206824	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1391972"	313.2168	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"287291"	661.446276	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"676793"	991.665776	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1354236"	331.226776	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"134421"	331.226776	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"578728"	496.336526	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1050809"	166.117026	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"219560"	221.153609333333	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"657903"	331.226776	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1176393"	111.080442666667	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"438570"	678.472823	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"800052"	1008.692323	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1694801"	348.253323	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"343807"	339.7400495	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"728939"	504.8497995	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1484585"	174.6302995	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"397796"	683.428218	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"757698"	1013.647718	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1609075"	353.208718	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"319114"	342.217747	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"710443"	507.327497	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1464264"	177.107997	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1060797"	118.407756666667	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1262475"	363.252986	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"383232"	699.402158	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"740946"	1029.621658	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1541906"	369.182658	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"302362"	350.204717	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"692961"	515.314467	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1448610"	185.094967	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"235866"	702.472826	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1210316"	372.253326	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1195749"	186.630301	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"189952"	705.41016	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"630980"	1035.62966	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1134485"	375.19066	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"177042"	353.208718	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"615879"	518.318468	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1121572"	188.098968	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1403272"	125.735070666667	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1433937"	377.232246	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"222537"	358.24174	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1511695"	391.28429	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"411382"	361.195688	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"776749"	526.305438	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1675267"	196.085938	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"261786"	724.454768	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1234493"	394.235268	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1715723"	394.258793	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1182536"	133.062384666667	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1652428"	399.214188	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"161112"	737.35804	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"598483"	1067.57754	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1086641"	407.13854	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"143458"	369.182658	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"583746"	534.292408	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1073725"	204.072908	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1101470"	409.153092	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1336031"	409.240707	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1006020"	413.279876	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1524224"	414.273508	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"990960"	207.143576	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1587658"	415.188128	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1414405"	445.219638	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1147617"	227.656851	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1697285"	462.246185	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1636469"	467.20158	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1584149"	483.17552	"C04108"	"20-Hydroxy-3-oxopregn-4-en-21-al"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"813424"	318.0376	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M"	0
"984777"	299.01921	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H2O-H"	-19.01839
"71924"	211.017790666667	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-3H"	-3.021828
"502990"	317.030324	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-3H"	-3.021828
"880173"	105.005257333333	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-3H"	-3.021828
"3485"	317.030324	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H"	-2.014552
"442679"	476.049124	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H"	-2.014552
"819752"	158.011524	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H"	-2.014552
"79254"	635.067924	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-H"	-1.007276
"528052"	953.105524	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-H"	-1.007276
"898197"	317.030324	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H"	-1.007276
"55855"	652.094471	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H+NH4"	16.019271
"496509"	970.132071	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H+NH4"	16.019271
"873215"	334.056871	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H+NH4"	16.019271
"34557"	657.049866	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H+Na"	20.974666
"472903"	975.087466	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H+Na"	20.974666
"848677"	339.012266	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H+Na"	20.974666
"1618611"	339.012266	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na-2H"	20.974666
"97618"	335.018663	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-H+Cl"	33.962126
"535353"	494.037463	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-H+Cl"	33.962126
"934339"	175.999863	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+Cl"	33.962126
"270345"	671.044602	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Cl"	34.969402
"667508"	989.082202	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+Cl"	34.969402
"1274079"	353.007002	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl"	34.969402
"21375"	673.023806	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H+K"	36.948606
"463120"	991.061406	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H+K"	36.948606
"834363"	354.986206	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H+K"	36.948606
"1557852"	354.986206	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K-2H"	36.948606
"943912"	363.035794	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+HCOOH"	44.998194
"362856"	681.073401	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+HCOOH-H"	44.998201
"350021"	695.089051	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Hac-H"	59.013851
"1494480"	377.051451	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Hac-H"	59.013851
"965301"	385.017751	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+NaCOOH"	66.980151
"116396"	353.007002	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2Cl"	69.938804
"551584"	512.025802	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2Cl"	69.938804
"1021961"	193.988202	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2Cl"	69.938804
"1244335"	396.956485	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Br"	78.918885
"1304634"	399.012472	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl+HCOOH"	80.974872
"1320307"	420.994429	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl+NaCOOH"	102.956829
"911496"	431.023186	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+CF3COOH"	112.985586
"1288528"	466.999864	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl+CF3COOH"	148.962264
"1375681"	283.024924	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H-2H2O"	-35.012676
"1392082"	301.0349	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H-H2O"	-17.0027
"286308"	637.082476	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H"	1.007276
"678729"	955.120076	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H"	1.007276
"1353253"	319.044876	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H"	1.007276
"134531"	319.044876	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2H"	2.014552
"571904"	478.063676	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2H"	2.014552
"1048359"	160.026076	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2H"	2.014552
"217720"	213.032342666667	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+3H"	3.021828
"656190"	319.044876	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+3H"	3.021828
"1176864"	107.019809333333	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+3H"	3.021828
"437951"	654.109023	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+NH4"	18.033823
"800167"	972.146623	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+NH4"	18.033823
"1692359"	336.071423	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+NH4"	18.033823
"343798"	327.5581495	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H+NH4"	19.041099
"735244"	486.5769495	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H+NH4"	19.041099
"1482868"	168.5393495	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+NH4"	19.041099
"395354"	659.064418	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Na"	22.989218
"755984"	977.102018	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+Na"	22.989218
"1603720"	341.026818	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na"	22.989218
"316307"	330.035847	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H+Na"	23.996494
"709459"	489.054647	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H+Na"	23.996494
"1464371"	171.017047	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+Na"	23.996494
"1060907"	114.347123333333	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2H+Na"	25.00377
"1261491"	351.071086	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+CH3OH+H"	33.033486
"380063"	675.038358	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+K"	38.963158
"742150"	993.075958	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+K"	38.963158
"1542016"	357.000758	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K"	38.963158
"302474"	338.022817	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H+K"	39.970434
"693437"	497.041617	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H+K"	39.970434
"1446531"	179.004017	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+K"	39.970434
"235872"	678.109026	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+ACN+H"	42.033826
"1210182"	360.071426	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+ACN+H"	42.033826
"1194432"	180.539351	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+ACN+2H"	43.041102
"188758"	681.04636	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2Na-H"	44.97116
"629987"	999.08396	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2Na-H"	44.97116
"1134955"	363.00876	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2Na-H"	44.97116
"176785"	341.026818	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2Na"	45.978436
"616711"	500.045618	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2Na"	45.978436
"1117305"	182.008018	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2Na"	45.978436
"1403746"	121.674437333333	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+2Na"	46.985712
"1437324"	365.050346	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+HCOOH"	47.012746
"228114"	346.05984	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+3H2O+2H"	56.04448
"1515084"	379.10239	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+IsoProp+H"	61.06479
"414769"	349.013788	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Na+K"	61.952376
"776857"	508.032588	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+Na+K"	61.952376
"1669539"	189.994988	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na+K"	61.952376
"257520"	700.090968	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+ACN+Na"	64.015768
"1226946"	382.053368	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+ACN+Na"	64.015768
"1712874"	382.076893	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+NH4+HCOOH"	64.039293
"1178708"	129.001751333333	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+3Na"	68.967654
"1650015"	387.032288	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na+HCOOH"	68.994688
"157940"	712.99424	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2K-H"	76.91904
"598958"	1031.03184	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2K-H"	76.91904
"1084679"	394.95664	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2K-H"	76.91904
"143567"	357.000758	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2K"	77.926316
"586043"	516.019558	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2K"	77.926316
"1072742"	197.981958	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2K"	77.926316
"1100604"	396.971192	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2K+H"	78.933592
"1335733"	397.058807	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+DMSO+H"	79.021207
"1006004"	401.097976	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2ACN+H"	83.060376
"1524618"	402.091608	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+IsoProp+Na+H"	84.054008
"989984"	201.052626	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2ACN+2H"	84.067652
"1588128"	403.006228	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K+HCOOH"	84.968628
"1414514"	433.037738	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+CF3COOH"	115.000138
"1147363"	221.565901	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+3ACN+2H"	125.094202
"1697275"	450.064285	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+NH4+CF3COOH"	132.026685
"1636579"	455.01968	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na+CF3COOH"	136.98208
"1584259"	470.99362	"C04109"	"Gossypetin;334578-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K+CF3COOH"	152.95602
"811347"	190.0266	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M"	0
"985981"	171.00821	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-H2O-H"	-19.01839
"76407"	125.677124	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M-3H"	-3.021828
"509410"	189.019324	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M-3H"	-3.021828
"883930"	62.334924	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-3H"	-3.021828
"3597"	189.019324	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M-2H"	-2.014552
"442426"	284.032624	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M-2H"	-2.014552
"820957"	94.006024	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-2H"	-2.014552
"80585"	379.045924	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M-H"	-1.007276
"521239"	569.072524	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M-H"	-1.007276
"900498"	189.019324	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-H"	-1.007276
"52322"	396.072471	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M-2H+NH4"	16.019271
"493338"	586.099071	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M-2H+NH4"	16.019271
"866766"	206.045871	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-2H+NH4"	16.019271
"33571"	401.027866	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M-2H+Na"	20.974666
"472647"	591.054466	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M-2H+Na"	20.974666
"854584"	211.001266	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-2H+Na"	20.974666
"1622294"	211.001266	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Na-2H"	20.974666
"102468"	207.007663	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M-H+Cl"	33.962126
"538384"	302.020963	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M-H+Cl"	33.962126
"929349"	111.994363	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-H+Cl"	33.962126
"269364"	415.022602	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+Cl"	34.969402
"664341"	605.049202	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+Cl"	34.969402
"1277838"	224.996002	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Cl"	34.969402
"22581"	417.001806	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M-2H+K"	36.948606
"462142"	607.028406	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M-2H+K"	36.948606
"833746"	226.975206	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-2H+K"	36.948606
"1566713"	226.975206	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+K-2H"	36.948606
"948034"	235.024794	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-H+HCOOH"	44.998194
"370623"	425.051401	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+HCOOH-H"	44.998201
"353413"	439.067051	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+Hac-H"	59.013851
"1493132"	249.040451	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Hac-H"	59.013851
"965413"	257.006751	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-H+NaCOOH"	66.980151
"111039"	224.996002	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+2Cl"	69.938804
"551695"	320.009302	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+2Cl"	69.938804
"1030335"	129.982702	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2Cl"	69.938804
"1242622"	268.945485	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Br"	78.918885
"1304267"	271.001472	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Cl+HCOOH"	80.974872
"1320745"	292.983429	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Cl+NaCOOH"	102.956829
"912171"	303.012186	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M-H+CF3COOH"	112.985586
"1298723"	338.988864	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Cl+CF3COOH"	148.962264
"1379074"	155.013924	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H-2H2O"	-35.012676
"1388915"	173.0239	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H-H2O"	-17.0027
"286418"	381.060476	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+H"	1.007276
"681025"	571.087076	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+H"	1.007276
"1356279"	191.033876	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H"	1.007276
"134641"	191.033876	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+2H"	2.014552
"574200"	286.047176	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+2H"	2.014552
"1048469"	96.020576	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2H"	2.014552
"218198"	127.691676	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+3H"	3.021828
"658490"	191.033876	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+3H"	3.021828
"1176981"	64.349476	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+3H"	3.021828
"438309"	398.087023	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+NH4"	18.033823
"800275"	588.113623	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+NH4"	18.033823
"1693566"	208.060423	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+NH4"	18.033823
"341842"	199.5471495	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+H+NH4"	19.041099
"729891"	294.5604495	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+H+NH4"	19.041099
"1482618"	104.5338495	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H+NH4"	19.041099
"399109"	403.042418	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+Na"	22.989218
"762291"	593.069018	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+Na"	22.989218
"1611484"	213.015818	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Na"	22.989218
"325895"	202.024847	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+H+Na"	23.996494
"712849"	297.038147	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+H+Na"	23.996494
"1468856"	107.011547	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H+Na"	23.996494
"1056638"	71.67679	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2H+Na"	25.00377
"1263781"	223.060086	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+CH3OH+H"	33.033486
"381263"	419.016358	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+K"	38.963158
"742258"	609.042958	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+K"	38.963158
"1546498"	228.989758	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+K"	38.963158
"305861"	210.011817	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+H+K"	39.970434
"693179"	305.025117	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+H+K"	39.970434
"1445699"	114.998517	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H+K"	39.970434
"235838"	422.087026	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+ACN+H"	42.033826
"1210052"	232.060426	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+ACN+H"	42.033826
"1194621"	116.533851	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+ACN+2H"	43.041102
"191993"	425.02436	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+2Na-H"	44.97116
"628540"	615.05096	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+2Na-H"	44.97116
"1132012"	234.99776	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2Na-H"	44.97116
"173359"	213.015818	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+2Na"	45.978436
"615366"	308.029118	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+2Na"	45.978436
"1117413"	118.002518	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2Na"	45.978436
"1399844"	79.004104	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H+2Na"	46.985712
"1436341"	237.039346	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H+HCOOH"	47.012746
"228224"	218.04884	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+3H2O+2H"	56.04448
"1515193"	251.09139	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+IsoProp+H"	61.06479
"414878"	221.002788	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+Na+K"	61.952376
"776967"	316.016088	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+Na+K"	61.952376
"1672204"	125.989488	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Na+K"	61.952376
"258724"	444.068968	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+ACN+Na"	64.015768
"1231431"	254.042368	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+ACN+Na"	64.015768
"1714120"	254.065893	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+NH4+HCOOH"	64.039293
"1180204"	86.331418	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+3Na"	68.967654
"1650052"	259.021288	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Na+HCOOH"	68.994688
"157315"	456.97224	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+2K-H"	76.91904
"597118"	646.99884	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+2K-H"	76.91904
"1084206"	266.94564	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2K-H"	76.91904
"141484"	228.989758	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"2M+2K"	77.926316
"581894"	324.003058	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"3M+2K"	77.926316
"1068722"	133.976458	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2K"	77.926316
"1099919"	268.960192	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2K+H"	78.933592
"1335675"	269.047807	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+DMSO+H"	79.021207
"1006036"	273.086976	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2ACN+H"	83.060376
"1524606"	274.080608	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+IsoProp+Na+H"	84.054008
"990077"	137.047126	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+2ACN+2H"	84.067652
"1587874"	274.995228	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+K+HCOOH"	84.968628
"1414339"	305.026738	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+H+CF3COOH"	115.000138
"1147959"	157.560401	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+3ACN+2H"	125.094202
"1699938"	322.053285	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+NH4+CF3COOH"	132.026685
"1636689"	327.00868	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+Na+CF3COOH"	136.98208
"1584369"	342.98262	"C04110"	"35-Dihydroxy-14-naphthoquinone"	"C10H6O4"	"190.0266"	"M+K+CF3COOH"	152.95602
"811457"	242.0304	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M"	0
"983904"	223.01201	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-H2O-H"	-19.01839
"75423"	160.346324	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M-3H"	-3.021828
"505145"	241.023124	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M-3H"	-3.021828
"884039"	79.669524	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-3H"	-3.021828
"3706"	241.023124	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M-2H"	-2.014552
"442536"	362.038324	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M-2H"	-2.014552
"818636"	120.007924	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-2H"	-2.014552
"81423"	483.053524	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M-H"	-1.007276
"522077"	725.083924	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M-H"	-1.007276
"900243"	241.023124	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-H"	-1.007276
"51703"	500.080071	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M-2H+NH4"	16.019271
"491262"	742.110471	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M-2H+NH4"	16.019271
"867970"	258.049671	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-2H+NH4"	16.019271
"33680"	505.035466	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M-2H+Na"	20.974666
"474457"	747.065866	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M-2H+Na"	20.974666
"853601"	263.005066	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-2H+Na"	20.974666
"1622405"	263.005066	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Na-2H"	20.974666
"101121"	259.011463	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M-H+Cl"	33.962126
"538496"	380.026663	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M-H+Cl"	33.962126
"931648"	137.996263	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-H+Cl"	33.962126
"274216"	519.030202	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+Cl"	34.969402
"661899"	761.060602	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+Cl"	34.969402
"1275761"	276.999802	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Cl"	34.969402
"17218"	521.009406	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M-2H+K"	36.948606
"462252"	763.039806	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M-2H+K"	36.948606
"833248"	278.979006	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-2H+K"	36.948606
"1563543"	278.979006	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+K-2H"	36.948606
"943162"	287.028594	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-H+HCOOH"	44.998194
"366359"	529.059001	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+HCOOH-H"	44.998201
"351336"	543.074651	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+Hac-H"	59.013851
"1494093"	301.044251	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Hac-H"	59.013851
"962243"	309.010551	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-H+NaCOOH"	66.980151
"111270"	276.999802	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+2Cl"	69.938804
"553992"	398.015002	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+2Cl"	69.938804
"1023885"	155.984602	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2Cl"	69.938804
"1241636"	320.949285	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Br"	78.918885
"1305912"	323.005272	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Cl+HCOOH"	80.974872
"1324501"	344.987229	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Cl+NaCOOH"	102.956829
"911590"	355.015986	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M-H+CF3COOH"	112.985586
"1298833"	390.992664	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Cl+CF3COOH"	148.962264
"1378820"	207.017724	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H-2H2O"	-35.012676
"1389025"	225.0277	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H-H2O"	-17.0027
"286528"	485.068076	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+H"	1.007276
"678949"	727.098476	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+H"	1.007276
"1355296"	243.037676	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H"	1.007276
"134751"	243.037676	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+2H"	2.014552
"574310"	364.052876	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+2H"	2.014552
"1048579"	122.022476	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2H"	2.014552
"219035"	162.360876	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+3H"	3.021828
"659660"	243.037676	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+3H"	3.021828
"1176968"	81.684076	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+3H"	3.021828
"437441"	502.094623	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+NH4"	18.033823
"800626"	744.125023	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+NH4"	18.033823
"1696471"	260.064223	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+NH4"	18.033823
"341953"	251.5509495	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+H+NH4"	19.041099
"735468"	372.5661495	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+H+NH4"	19.041099
"1481635"	130.5357495	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H+NH4"	19.041099
"399219"	507.050018	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+Na"	22.989218
"764589"	749.080418	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+Na"	22.989218
"1612688"	265.019618	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Na"	22.989218
"326005"	254.028647	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+H+Na"	23.996494
"714053"	375.043847	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+H+Na"	23.996494
"1471155"	133.013447	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H+Na"	23.996494
"1056747"	89.01139	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2H+Na"	25.00377
"1261706"	275.063886	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+CH3OH+H"	33.033486
"381373"	523.023958	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+K"	38.963158
"744555"	765.054358	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+K"	38.963158
"1546610"	280.993558	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+K"	38.963158
"300504"	262.015617	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+H+K"	39.970434
"694020"	383.030817	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+H+K"	39.970434
"1446133"	141.000417	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H+K"	39.970434
"236079"	526.094626	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+ACN+H"	42.033826
"1210243"	284.064226	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+ACN+H"	42.033826
"1196316"	142.535751	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+ACN+2H"	43.041102
"194291"	529.03196	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+2Na-H"	44.97116
"630078"	771.06236	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+2Na-H"	44.97116
"1132245"	287.00156	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2Na-H"	44.97116
"173834"	265.019618	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+2Na"	45.978436
"615112"	386.034818	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+2Na"	45.978436
"1117279"	144.004418	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2Na"	45.978436
"1399346"	96.338704	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H+2Na"	46.985712
"1433168"	289.043146	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H+HCOOH"	47.012746
"227241"	270.05264	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+3H2O+2H"	56.04448
"1510926"	303.09519	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+IsoProp+H"	61.06479
"412800"	273.006588	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+Na+K"	61.952376
"774158"	394.021788	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+Na+K"	61.952376
"1670854"	151.991388	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Na+K"	61.952376
"258834"	548.076568	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+ACN+Na"	64.015768
"1231541"	306.046168	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+ACN+Na"	64.015768
"1714230"	306.069693	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+NH4+HCOOH"	64.039293
"1178532"	103.666018	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+3Na"	68.967654
"1649882"	311.025088	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Na+HCOOH"	68.994688
"157504"	560.97984	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+2K-H"	76.91904
"597307"	803.01024	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+2K-H"	76.91904
"1084329"	318.94944	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2K-H"	76.91904
"141512"	280.993558	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"2M+2K"	77.926316
"582489"	402.008758	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"3M+2K"	77.926316
"1068703"	159.978358	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2K"	77.926316
"1100009"	320.963992	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2K+H"	78.933592
"1336602"	321.051607	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+DMSO+H"	79.021207
"1006146"	325.090776	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2ACN+H"	83.060376
"1524473"	326.084408	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+IsoProp+Na+H"	84.054008
"990306"	163.049026	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+2ACN+2H"	84.067652
"1587740"	326.999028	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+K+HCOOH"	84.968628
"1414249"	357.030538	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+H+CF3COOH"	115.000138
"1152684"	183.562301	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+3ACN+2H"	125.094202
"1701143"	374.057085	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+NH4+CF3COOH"	132.026685
"1636799"	379.01248	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+Na+CF3COOH"	136.98208
"1584479"	394.98642	"C04111"	"3-(Phosphoacetylamido)-L-alanine"	"C5H11N2O7P"	"242.0304"	"M+K+CF3COOH"	152.95602
"811567"	156.0423	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M"	0
"989528"	137.02391	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"78008"	103.020924	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"507443"	155.035024	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"886338"	51.006824	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"10379"	155.035024	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"442647"	233.056174	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"821178"	77.013874	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"82994"	311.077324	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"524014"	467.119624	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"901814"	155.035024	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"55097"	328.103871	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"493925"	484.146171	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"868082"	172.061571	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"33915"	333.059266	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"472988"	489.101566	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"853710"	177.016966	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1625069"	177.016966	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"105971"	173.023363	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"547719"	251.044513	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"931394"	95.002213	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"275420"	347.054002	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"661519"	503.096302	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1280246"	191.011702	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"26083"	349.033206	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"470018"	505.075506	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"845634"	192.990906	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1563653"	192.990906	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"949348"	201.040494	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"367563"	357.082801	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"347194"	371.098451	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1498093"	215.056151	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"961260"	223.022451	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"112354"	191.011702	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"554101"	269.032852	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1026182"	112.990552	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1242232"	234.961185	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1304317"	237.017172	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1320480"	258.999129	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"918955"	269.027886	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1296758"	305.004564	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1376015"	121.029624	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1386950"	139.0396	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"286638"	313.091876	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"679059"	469.134176	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1355408"	157.049576	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"134861"	157.049576	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"575516"	235.070726	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1047596"	79.028426	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"219509"	105.035476	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"659076"	157.049576	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1178420"	53.021376	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"439743"	330.118423	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"799885"	486.160723	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1694514"	174.076123	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"339877"	165.5628495	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"731202"	243.5839995	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1483926"	87.5416995	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"397140"	335.073818	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"759228"	491.116118	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1609518"	179.031518	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"323931"	168.040547	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"711976"	246.061697	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1465796"	90.019397	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1060142"	60.34869	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1259023"	189.075786	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"383672"	351.047758	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"743573"	507.090058	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1542710"	195.005458	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"301707"	176.027517	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"692674"	254.048667	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1445922"	98.006367	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"236431"	354.118426	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1210231"	198.076126	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1194272"	99.541701	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"190392"	357.05576	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"629701"	513.09806	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1132357"	201.01346	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"174198"	179.031518	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"617046"	257.052668	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1119094"	101.010368	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1402252"	67.676004	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1434377"	203.055046	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"227351"	184.06454	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1511040"	217.10709	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"412914"	187.018488	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"773909"	265.039638	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1673520"	108.997338	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"258945"	376.100368	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1229465"	220.058068	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1717258"	220.081593	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1180424"	75.003318	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1650678"	225.036988	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"157537"	389.00364	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"597579"	545.04594	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1085251"	232.96134	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"142917"	195.005458	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"582241"	273.026608	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1069798"	116.984308	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1100203"	234.975892	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1335983"	235.063507	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1006458"	239.102676	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1524699"	240.096308	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"990302"	120.054976	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1587486"	241.010928	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1414964"	271.042438	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1152794"	140.568251	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1700160"	288.068985	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1636909"	293.02438	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1584589"	308.99832	"C04112"	"3-Methyl-ciscis-hexadienedioate;3-Methyl-ciscis-muconate"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"811677"	143.0946	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M"	0
"986307"	124.07621	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-H2O-H"	-19.01839
"75644"	94.389124	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M-3H"	-3.021828
"505365"	142.087324	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M-3H"	-3.021828
"883530"	46.690924	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-3H"	-3.021828
"7205"	142.087324	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M-2H"	-2.014552
"442756"	213.634624	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M-2H"	-2.014552
"819828"	70.540024	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-2H"	-2.014552
"81275"	285.181924	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M-H"	-1.007276
"521565"	428.276524	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M-H"	-1.007276
"899369"	142.087324	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-H"	-1.007276
"52651"	302.208471	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M-2H+NH4"	16.019271
"491847"	445.303071	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M-2H+NH4"	16.019271
"866854"	159.113871	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-2H+NH4"	16.019271
"32444"	307.163866	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M-2H+Na"	20.974666
"472854"	450.258466	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M-2H+Na"	20.974666
"850297"	164.069266	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-2H+Na"	20.974666
"1624086"	164.069266	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Na-2H"	20.974666
"103894"	160.075663	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M-H+Cl"	33.962126
"544549"	231.622963	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M-H+Cl"	33.962126
"931868"	88.528363	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-H+Cl"	33.962126
"275530"	321.158602	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+Cl"	34.969402
"664304"	464.253202	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+Cl"	34.969402
"1282542"	178.064002	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Cl"	34.969402
"27286"	323.137806	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M-2H+K"	36.948606
"470128"	466.232406	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M-2H+K"	36.948606
"845744"	180.043206	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-2H+K"	36.948606
"1563763"	180.043206	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+K-2H"	36.948606
"950551"	188.092794	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-H+HCOOH"	44.998194
"369860"	331.187401	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+HCOOH-H"	44.998201
"350463"	345.203051	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+Hac-H"	59.013851
"1503671"	202.108451	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Hac-H"	59.013851
"964651"	210.074751	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-H+NaCOOH"	66.980151
"115745"	178.064002	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+2Cl"	69.938804
"558585"	249.611302	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+2Cl"	69.938804
"1026292"	106.516702	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2Cl"	69.938804
"1246964"	222.013485	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Br"	78.918885
"1306131"	224.069472	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Cl+HCOOH"	80.974872
"1321441"	246.051429	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Cl+NaCOOH"	102.956829
"921252"	256.080186	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M-H+CF3COOH"	112.985586
"1295775"	292.056864	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Cl+CF3COOH"	148.962264
"1376124"	108.081924	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H-2H2O"	-35.012676
"1385601"	126.0919	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H-H2O"	-17.0027
"284194"	287.196476	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+H"	1.007276
"680262"	430.291076	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+H"	1.007276
"1356974"	144.101876	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H"	1.007276
"136064"	144.101876	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+2H"	2.014552
"574529"	215.649176	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+2H"	2.014552
"1047706"	72.554576	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2H"	2.014552
"212326"	96.403676	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+3H"	3.021828
"659832"	144.101876	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+3H"	3.021828
"1178119"	48.705476	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+3H"	3.021828
"438633"	304.223023	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+NH4"	18.033823
"794281"	447.317623	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+NH4"	18.033823
"1693892"	161.128423	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+NH4"	18.033823
"338894"	152.6151495	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+H+NH4"	19.041099
"733502"	224.1624495	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+H+NH4"	19.041099
"1481854"	81.0678495	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H+NH4"	19.041099
"394334"	309.178418	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+Na"	22.989218
"757152"	452.273018	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+Na"	22.989218
"1611815"	166.083818	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Na"	22.989218
"325134"	155.092847	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+H+Na"	23.996494
"712086"	226.640147	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+H+Na"	23.996494
"1468093"	83.545547	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H+Na"	23.996494
"1058429"	56.03279	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2H+Na"	25.00377
"1259741"	176.128086	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+CH3OH+H"	33.033486
"382687"	325.152358	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+K"	38.963158
"740767"	468.246958	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+K"	38.963158
"1542454"	182.057758	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+K"	38.963158
"301818"	163.079817	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+H+K"	39.970434
"693148"	234.627117	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+H+K"	39.970434
"1445869"	91.532517	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H+K"	39.970434
"236540"	328.223026	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+ACN+H"	42.033826
"1210027"	185.128426	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+ACN+H"	42.033826
"1194949"	93.067851	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+ACN+2H"	43.041102
"190866"	331.16036	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+2Na-H"	44.97116
"629446"	474.25496	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+2Na-H"	44.97116
"1132592"	188.06576	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2Na-H"	44.97116
"173372"	166.083818	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+2Na"	45.978436
"614966"	237.631118	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+2Na"	45.978436
"1117011"	94.536518	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2Na"	45.978436
"1400293"	63.360104	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H+2Na"	46.985712
"1433388"	190.107346	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H+HCOOH"	47.012746
"225274"	171.11684	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+3H2O+2H"	56.04448
"1510784"	204.15939	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+IsoProp+H"	61.06479
"413388"	174.070788	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+Na+K"	61.952376
"774019"	245.618088	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+Na+K"	61.952376
"1670350"	102.523488	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Na+K"	61.952376
"256869"	350.204968	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+ACN+Na"	64.015768
"1229211"	207.110368	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+ACN+Na"	64.015768
"1716275"	207.133893	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+NH4+HCOOH"	64.039293
"1180534"	70.687418	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+3Na"	68.967654
"1650904"	212.089288	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Na+HCOOH"	68.994688
"157889"	363.10824	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+2K-H"	76.91904
"597935"	506.20284	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+2K-H"	76.91904
"1086212"	220.01364	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2K-H"	76.91904
"143273"	182.057758	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"2M+2K"	77.926316
"582955"	253.605058	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"3M+2K"	77.926316
"1069170"	110.510458	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2K"	77.926316
"1100310"	222.028192	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2K+H"	78.933592
"1336330"	222.115807	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+DMSO+H"	79.021207
"1005960"	226.154976	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2ACN+H"	83.060376
"1527251"	227.148608	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+IsoProp+Na+H"	84.054008
"993696"	113.581126	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+2ACN+2H"	84.067652
"1588324"	228.063228	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+K+HCOOH"	84.968628
"1414589"	258.094738	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+H+CF3COOH"	115.000138
"1151811"	134.094401	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+3ACN+2H"	125.094202
"1699539"	275.121285	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+NH4+CF3COOH"	132.026685
"1637019"	280.07668	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+Na+CF3COOH"	136.98208
"1584699"	296.05062	"C04114"	"(E)-4-(Trimethylammonio)but-2-enoate;Crotono-betaine;Crotonobetaine"	"C7H13NO2"	"143.0946"	"M+K+CF3COOH"	152.95602
"810694"	220.0219	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M"	0
"987510"	201.00351	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-H2O-H"	-19.01839
"75754"	145.673990666667	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M-3H"	-3.021828
"505230"	219.014624	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M-3H"	-3.021828
"882183"	72.3333573333333	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-3H"	-3.021828
"5129"	219.014624	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M-2H"	-2.014552
"445783"	329.025574	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M-2H"	-2.014552
"817751"	109.003674	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-2H"	-2.014552
"80659"	439.036524	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M-H"	-1.007276
"519488"	659.058424	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M-H"	-1.007276
"898386"	219.014624	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-H"	-1.007276
"55314"	456.063071	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M-2H+NH4"	16.019271
"491957"	676.084971	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M-2H+NH4"	16.019271
"866844"	236.041171	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-2H+NH4"	16.019271
"32069"	461.018466	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M-2H+Na"	20.974666
"472237"	681.040366	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M-2H+Na"	20.974666
"850286"	240.996566	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-2H+Na"	20.974666
"1624196"	240.996566	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Na-2H"	20.974666
"104004"	237.002963	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M-H+Cl"	33.962126
"541380"	347.013913	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M-H+Cl"	33.962126
"929790"	126.992013	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-H+Cl"	33.962126
"273453"	475.013202	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+Cl"	34.969402
"661133"	695.035102	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+Cl"	34.969402
"1279372"	254.991302	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Cl"	34.969402
"20836"	476.992406	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M-2H+K"	36.948606
"466958"	697.014306	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M-2H+K"	36.948606
"844760"	256.970506	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-2H+K"	36.948606
"1560593"	256.970506	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+K-2H"	36.948606
"953942"	265.020094	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-H+HCOOH"	44.998194
"369970"	485.042001	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+HCOOH-H"	44.998201
"347293"	499.057651	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+Hac-H"	59.013851
"1499407"	279.035751	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Hac-H"	59.013851
"964761"	287.002051	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-H+NaCOOH"	66.980151
"112575"	254.991302	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+2Cl"	69.938804
"554321"	365.002252	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+2Cl"	69.938804
"1024215"	144.980352	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2Cl"	69.938804
"1249261"	298.940785	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Br"	78.918885
"1305513"	300.996772	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Cl+HCOOH"	80.974872
"1320459"	322.978729	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Cl+NaCOOH"	102.956829
"922457"	333.007486	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M-H+CF3COOH"	112.985586
"1299166"	368.984164	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Cl+CF3COOH"	148.962264
"1370768"	185.009224	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H-2H2O"	-35.012676
"1386078"	203.0192	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H-H2O"	-17.0027
"285033"	441.051076	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+H"	1.007276
"680372"	661.072976	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+H"	1.007276
"1356720"	221.029176	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H"	1.007276
"135081"	221.029176	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+2H"	2.014552
"571360"	331.040126	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+2H"	2.014552
"1047816"	111.018226	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2H"	2.014552
"212436"	147.688542666667	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+3H"	3.021828
"658564"	221.029176	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+3H"	3.021828
"1176320"	74.3479093333333	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+3H"	3.021828
"439229"	458.077623	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+NH4"	18.033823
"795485"	678.099523	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+NH4"	18.033823
"1693638"	238.055723	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+NH4"	18.033823
"333538"	229.5424495	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+H+NH4"	19.041099
"729238"	339.5533995	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+H+NH4"	19.041099
"1480871"	119.5314995	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H+NH4"	19.041099
"394081"	463.033018	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+Na"	22.989218
"754226"	683.054918	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+Na"	22.989218
"1607551"	243.011118	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Na"	22.989218
"321963"	232.020147	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+H+Na"	23.996494
"710009"	342.031097	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+H+Na"	23.996494
"1468203"	122.009197	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H+Na"	23.996494
"1054895"	81.6752233333333	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2H+Na"	25.00377
"1257337"	253.055386	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+CH3OH+H"	33.033486
"380610"	479.006958	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+K"	38.963158
"739418"	699.028858	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+K"	38.963158
"1540740"	258.985058	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+K"	38.963158
"301928"	240.007117	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+H+K"	39.970434
"691714"	350.018067	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+H+K"	39.970434
"1445983"	129.996167	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H+K"	39.970434
"235998"	482.077626	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+ACN+H"	42.033826
"1209982"	262.055726	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+ACN+H"	42.033826
"1194406"	131.531501	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+ACN+2H"	43.041102
"189276"	485.01496	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+2Na-H"	44.97116
"628951"	705.03686	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+2Na-H"	44.97116
"1131472"	264.99306	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2Na-H"	44.97116
"173092"	243.011118	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+2Na"	45.978436
"614712"	353.022068	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+2Na"	45.978436
"1116758"	133.000168	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2Na"	45.978436
"1399919"	89.0025373333333	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H+2Na"	46.985712
"1432770"	267.034646	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H+HCOOH"	47.012746
"227571"	248.04414	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+3H2O+2H"	56.04448
"1510531"	281.08669	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+IsoProp+H"	61.06479
"410582"	250.998088	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+Na+K"	61.952376
"774128"	361.009038	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+Na+K"	61.952376
"1670460"	140.987138	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Na+K"	61.952376
"258072"	504.059568	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+ACN+Na"	64.015768
"1228592"	284.037668	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+ACN+Na"	64.015768
"1714197"	284.061193	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+NH4+HCOOH"	64.039293
"1178731"	96.3298513333333	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+3Na"	68.967654
"1650527"	289.016588	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Na+HCOOH"	68.994688
"157392"	516.96284	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+2K-H"	76.91904
"598173"	736.98474	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+2K-H"	76.91904
"1084872"	296.94094	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2K-H"	76.91904
"141931"	258.985058	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"2M+2K"	77.926316
"582221"	368.996008	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"3M+2K"	77.926316
"1068920"	148.974108	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2K"	77.926316
"1099927"	298.955492	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2K+H"	78.933592
"1335876"	299.043107	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+DMSO+H"	79.021207
"1005655"	303.082276	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2ACN+H"	83.060376
"1524439"	304.075908	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+IsoProp+Na+H"	84.054008
"991620"	152.044776	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+2ACN+2H"	84.067652
"1587827"	304.990528	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+K+HCOOH"	84.968628
"1414230"	335.022038	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+H+CF3COOH"	115.000138
"1150098"	172.558051	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+3ACN+2H"	125.094202
"1699285"	352.048585	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+NH4+CF3COOH"	132.026685
"1637129"	357.00398	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+Na+CF3COOH"	136.98208
"1584809"	372.97792	"C04115"	"4-Carboxy-4-hydroxy-2-oxoadipate;4-Hydroxy-4-carboxymethyl-2-oxoglutarate;2-Hydroxy-4-oxobutane-124-tricarboxylate"	"C7H8O8"	"220.0219"	"M+K+CF3COOH"	152.95602
"815548"	341.1627	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M"	0
"985437"	322.14431	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-H2O-H"	-19.01839
"71491"	226.434524	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M-3H"	-3.021828
"502962"	340.155424	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M-3H"	-3.021828
"882292"	112.713624	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-3H"	-3.021828
"3052"	340.155424	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M-2H"	-2.014552
"440792"	510.736774	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M-2H"	-2.014552
"819321"	169.574074	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-2H"	-2.014552
"79795"	681.318124	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M-H"	-1.007276
"520694"	1022.480824	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M-H"	-1.007276
"898496"	340.155424	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-H"	-1.007276
"51778"	698.344671	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M-2H+NH4"	16.019271
"490245"	1039.507371	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M-2H+NH4"	16.019271
"865496"	357.181971	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-2H+NH4"	16.019271
"33400"	703.300066	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M-2H+Na"	20.974666
"475878"	1044.462766	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M-2H+Na"	20.974666
"849304"	362.137366	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-2H+Na"	20.974666
"1624304"	362.137366	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Na-2H"	20.974666
"103020"	358.143763	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M-H+Cl"	33.962126
"538208"	528.725113	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M-H+Cl"	33.962126
"932819"	187.562413	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-H+Cl"	33.962126
"271377"	717.294802	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+Cl"	34.969402
"673523"	1058.457502	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+Cl"	34.969402
"1280576"	376.132102	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Cl"	34.969402
"23134"	719.274006	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M-2H+K"	36.948606
"467068"	1060.436706	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M-2H+K"	36.948606
"841591"	378.111306	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-2H+K"	36.948606
"1559610"	378.111306	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+K-2H"	36.948606
"955147"	386.160894	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-H+HCOOH"	44.998194
"370081"	727.323601	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+HCOOH-H"	44.998201
"349590"	741.339251	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+Hac-H"	59.013851
"1501704"	400.176551	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Hac-H"	59.013851
"961591"	408.142851	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-H+NaCOOH"	66.980151
"119245"	376.132102	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+2Cl"	69.938804
"556619"	546.713452	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+2Cl"	69.938804
"1029792"	205.550752	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2Cl"	69.938804
"1248278"	420.081585	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Br"	78.918885
"1306355"	422.137572	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Cl+HCOOH"	80.974872
"1321665"	444.119529	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Cl+NaCOOH"	102.956829
"918193"	454.148286	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M-H+CF3COOH"	112.985586
"1301465"	490.124964	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Cl+CF3COOH"	148.962264
"1379625"	306.150024	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H-2H2O"	-35.012676
"1389468"	324.16	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H-H2O"	-17.0027
"288062"	683.332676	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+H"	1.007276
"680482"	1024.495376	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+H"	1.007276
"1354645"	342.169976	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H"	1.007276
"135191"	342.169976	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+2H"	2.014552
"575846"	512.751326	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+2H"	2.014552
"1050117"	171.588626	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2H"	2.014552
"215829"	228.449076	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+3H"	3.021828
"656483"	342.169976	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+3H"	3.021828
"1174608"	114.728176	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+3H"	3.021828
"436787"	700.359223	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+NH4"	18.033823
"798875"	1041.521923	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+NH4"	18.033823
"1688645"	359.196523	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+NH4"	18.033823
"339110"	350.6832495	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+H+NH4"	19.041099
"729347"	521.2645995	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+H+NH4"	19.041099
"1480250"	180.1018995	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H+NH4"	19.041099
"393584"	705.314618	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+Na"	22.989218
"754821"	1046.477318	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+Na"	22.989218
"1603774"	364.151918	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Na"	22.989218
"320979"	353.160947	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+H+Na"	23.996494
"709029"	523.742297	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+H+Na"	23.996494
"1463942"	182.579597	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H+Na"	23.996494
"1055368"	122.05549	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2H+Na"	25.00377
"1257895"	374.196186	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+CH3OH+H"	33.033486
"377801"	721.288558	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+K"	38.963158
"739530"	1062.451258	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+K"	38.963158
"1541947"	380.125858	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+K"	38.963158
"300216"	361.147917	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+H+K"	39.970434
"694460"	531.729267	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+H+K"	39.970434
"1447189"	190.566567	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H+K"	39.970434
"236031"	724.359226	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+ACN+H"	42.033826
"1210686"	383.196526	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+ACN+H"	42.033826
"1195055"	192.101901	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+ACN+2H"	43.041102
"189626"	727.29656	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+2Na-H"	44.97116
"629548"	1068.45926	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+2Na-H"	44.97116
"1132001"	386.13386	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2Na-H"	44.97116
"173801"	364.151918	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+2Na"	45.978436
"615921"	534.733268	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+2Na"	45.978436
"1121250"	193.570568	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2Na"	45.978436
"1402587"	129.382804	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H+2Na"	46.985712
"1430685"	388.175446	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H+HCOOH"	47.012746
"221476"	369.18494	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+3H2O+2H"	56.04448
"1513555"	402.22749	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+IsoProp+H"	61.06479
"408721"	372.138888	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+Na+K"	61.952376
"770346"	542.720238	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+Na+K"	61.952376
"1665751"	201.557538	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Na+K"	61.952376
"252050"	746.341168	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+ACN+Na"	64.015768
"1226141"	405.178468	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+ACN+Na"	64.015768
"1713039"	405.201993	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+NH4+HCOOH"	64.039293
"1178798"	136.710118	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+3Na"	68.967654
"1650310"	410.157388	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Na+HCOOH"	68.994688
"157539"	759.24444	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+2K-H"	76.91904
"597784"	1100.40714	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+2K-H"	76.91904
"1085211"	418.08174	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2K-H"	76.91904
"141828"	380.125858	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"2M+2K"	77.926316
"582079"	550.707208	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"3M+2K"	77.926316
"1069506"	209.544508	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2K"	77.926316
"1101863"	420.096292	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2K+H"	78.933592
"1336550"	420.183907	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+DMSO+H"	79.021207
"1006058"	424.223076	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2ACN+H"	83.060376
"1524215"	425.216708	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+IsoProp+Na+H"	84.054008
"990139"	212.615176	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+2ACN+2H"	84.067652
"1590615"	426.131328	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+K+HCOOH"	84.968628
"1414810"	456.162838	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+H+CF3COOH"	115.000138
"1148754"	233.128451	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+3ACN+2H"	125.094202
"1698669"	473.189385	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+NH4+CF3COOH"	132.026685
"1637239"	478.14478	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+Na+CF3COOH"	136.98208
"1575080"	494.11872	"C04118"	"Isocorypalmine;581313a-Tetrahydrocolumbamine;(S)-Tetrahydrocolumbamine;(13aS)-581313a-Tetrahydro-3910-trimethoxy-6H-dibenzoagquinolizin-2-ol"	"C20H23NO4"	"341.1627"	"M+K+CF3COOH"	152.95602
"813104"	543.1102	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M"	0
"985181"	524.09181	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-H2O-H"	-19.01839
"68321"	361.066190666667	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M-3H"	-3.021828
"503871"	542.102924	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M-3H"	-3.021828
"880164"	180.029457333333	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-3H"	-3.021828
"2069"	542.102924	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M-2H"	-2.014552
"440902"	813.658024	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M-2H"	-2.014552
"817649"	270.547824	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-2H"	-2.014552
"80148"	1085.213124	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M-H"	-1.007276
"519831"	1628.323324	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M-H"	-1.007276
"896782"	542.102924	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-H"	-1.007276
"49700"	1102.239671	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M-2H+NH4"	16.019271
"488044"	1645.349871	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M-2H+NH4"	16.019271
"865725"	559.129471	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-2H+NH4"	16.019271
"32417"	1107.195066	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M-2H+Na"	20.974666
"472705"	1650.305266	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M-2H+Na"	20.974666
"849126"	564.084866	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-2H+Na"	20.974666
"1621862"	564.084866	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Na-2H"	20.974666
"100944"	560.091263	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M-H+Cl"	33.962126
"538318"	831.646363	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M-H+Cl"	33.962126
"927214"	288.536163	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-H+Cl"	33.962126
"271487"	1121.189802	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+Cl"	34.969402
"672658"	1664.300002	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+Cl"	34.969402
"1280686"	578.079602	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Cl"	34.969402
"23244"	1123.169006	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M-2H+K"	36.948606
"463898"	1666.279206	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M-2H+K"	36.948606
"840608"	580.058806	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-2H+K"	36.948606
"1559720"	580.058806	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+K-2H"	36.948606
"955257"	588.108394	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-H+HCOOH"	44.998194
"371285"	1131.218601	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+HCOOH-H"	44.998201
"356261"	1145.234251	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+Hac-H"	59.013851
"1496348"	602.124051	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Hac-H"	59.013851
"962795"	610.090351	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-H+NaCOOH"	66.980151
"121178"	578.079602	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+2Cl"	69.938804
"560009"	849.634702	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+2Cl"	69.938804
"1027715"	306.524502	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2Cl"	69.938804
"1247294"	622.029085	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Br"	78.918885
"1306465"	624.085072	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Cl+HCOOH"	80.974872
"1320803"	646.067029	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Cl+NaCOOH"	102.956829
"918303"	656.095786	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M-H+CF3COOH"	112.985586
"1300485"	692.072464	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Cl+CF3COOH"	148.962264
"1380344"	508.097524	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H-2H2O"	-35.012676
"1392859"	526.1075	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H-H2O"	-17.0027
"290357"	1087.227676	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+H"	1.007276
"680592"	1630.337876	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+H"	1.007276
"1360220"	544.117476	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H"	1.007276
"130924"	544.117476	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+2H"	2.014552
"575592"	815.672576	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+2H"	2.014552
"1047672"	272.562376	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2H"	2.014552
"215575"	363.080742666667	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+3H"	3.021828
"656229"	544.117476	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+3H"	3.021828
"1172532"	182.044009333333	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+3H"	3.021828
"432524"	1104.254223	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+NH4"	18.033823
"793518"	1647.364423	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+NH4"	18.033823
"1689849"	561.144023	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+NH4"	18.033823
"339221"	552.6307495	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+H+NH4"	19.041099
"727271"	824.1858495	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+H+NH4"	19.041099
"1479267"	281.0756495	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H+NH4"	19.041099
"398675"	1109.209618	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+Na"	22.989218
"754808"	1652.319818	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+Na"	22.989218
"1606679"	566.099418	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Na"	22.989218
"323277"	555.108447	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+H+Na"	23.996494
"708528"	826.663547	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+H+Na"	23.996494
"1466236"	283.553347	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H+Na"	23.996494
"1053287"	189.371323333333	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2H+Na"	25.00377
"1257641"	576.143686	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+CH3OH+H"	33.033486
"378517"	1125.183558	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+K"	38.963158
"739146"	1668.293758	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+K"	38.963158
"1540472"	582.073358	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+K"	38.963158
"301420"	563.095417	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+H+K"	39.970434
"693112"	834.650517	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+H+K"	39.970434
"1446202"	291.540317	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H+K"	39.970434
"236096"	1128.254226	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+ACN+H"	42.033826
"1210793"	585.144026	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+ACN+H"	42.033826
"1194914"	293.075651	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+ACN+2H"	43.041102
"190100"	1131.19156	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+2Na-H"	44.97116
"630388"	1674.30176	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+2Na-H"	44.97116
"1134987"	588.08136	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2Na-H"	44.97116
"174275"	566.099418	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+2Na"	45.978436
"614934"	837.654518	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+2Na"	45.978436
"1121360"	294.544318	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2Na"	45.978436
"1401237"	196.698637333333	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H+2Na"	46.985712
"1431160"	590.122946	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H+HCOOH"	47.012746
"222314"	571.13244	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+3H2O+2H"	56.04448
"1513665"	604.17499	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+IsoProp+H"	61.06479
"409334"	574.086388	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+Na+K"	61.952376
"771669"	845.641488	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+Na+K"	61.952376
"1665807"	302.531288	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Na+K"	61.952376
"251840"	1150.236168	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+ACN+Na"	64.015768
"1226085"	607.125968	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+ACN+Na"	64.015768
"1713632"	607.149493	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+NH4+HCOOH"	64.039293
"1179353"	204.025951333333	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+3Na"	68.967654
"1650742"	612.104888	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Na+HCOOH"	68.994688
"157970"	1163.13944	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+2K-H"	76.91904
"597369"	1706.24964	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+2K-H"	76.91904
"1084879"	620.02924	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2K-H"	76.91904
"142266"	582.073358	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"2M+2K"	77.926316
"581865"	853.628458	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"3M+2K"	77.926316
"1069740"	310.518258	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2K"	77.926316
"1100477"	622.043792	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2K+H"	78.933592
"1336177"	622.131407	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+DMSO+H"	79.021207
"1006209"	626.170576	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2ACN+H"	83.060376
"1524658"	627.164208	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+IsoProp+Na+H"	84.054008
"990087"	313.588926	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+2ACN+2H"	84.067652
"1587562"	628.078828	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+K+HCOOH"	84.968628
"1414174"	658.110338	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+H+CF3COOH"	115.000138
"1151052"	334.102201	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+3ACN+2H"	125.094202
"1698779"	675.136885	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+NH4+CF3COOH"	132.026685
"1637713"	680.09228	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+Na+CF3COOH"	136.98208
"1575190"	696.06622	"C04121"	"CMP-3-deoxy-D-manno-octulosonate;CMP-KDO;CMP-beta-KDO"	"C17H26N3O15P"	"543.1102"	"M+K+CF3COOH"	152.95602
"814307"	155.0347	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M"	0
"983470"	136.01631	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H2O-H"	-19.01839
"70619"	102.349190666667	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-3H"	-3.021828
"505803"	154.027424	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-3H"	-3.021828
"882514"	50.6709573333333	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-3H"	-3.021828
"3271"	154.027424	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H"	-2.014552
"443929"	231.544774	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H"	-2.014552
"821000"	76.510074	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H"	-2.014552
"82816"	309.062124	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-H"	-1.007276
"525656"	464.096824	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-H"	-1.007276
"899083"	154.027424	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H"	-1.007276
"60019"	326.088671	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+NH4"	16.019271
"493746"	481.123371	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+NH4"	16.019271
"866810"	171.053971	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+NH4"	16.019271
"33984"	331.044066	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+Na"	20.974666
"475002"	486.078766	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+Na"	20.974666
"854994"	176.009366	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+Na"	20.974666
"1621609"	176.009366	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na-2H"	20.974666
"101055"	172.015763	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-H+Cl"	33.962126
"544990"	249.533113	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-H+Cl"	33.962126
"928665"	94.498413	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+Cl"	33.962126
"275974"	345.038802	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Cl"	34.969402
"668393"	500.073502	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+Cl"	34.969402
"1284076"	190.004102	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl"	34.969402
"23355"	347.018006	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+K"	36.948606
"466196"	502.052706	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+K"	36.948606
"843998"	191.983306	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+K"	36.948606
"1570039"	191.983306	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K-2H"	36.948606
"953910"	200.032894	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+HCOOH"	44.998194
"373582"	355.067601	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+HCOOH-H"	44.998201
"348719"	369.083251	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Hac-H"	59.013851
"1501923"	214.048551	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Hac-H"	59.013851
"967278"	222.014851	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+NaCOOH"	66.980151
"122383"	190.004102	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Cl"	69.938804
"560121"	267.521452	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Cl"	69.938804
"1033294"	112.486752	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2Cl"	69.938804
"1253966"	233.953585	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Br"	78.918885
"1314229"	236.009572	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+HCOOH"	80.974872
"1328448"	257.991529	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+NaCOOH"	102.956829
"923882"	268.020286	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+CF3COOH"	112.985586
"1302664"	303.996964	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+CF3COOH"	148.962264
"1382483"	120.022024	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H-2H2O"	-35.012676
"1395887"	138.032	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H-H2O"	-17.0027
"298007"	311.076676	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H"	1.007276
"681795"	466.111376	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H"	1.007276
"1363247"	156.041976	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H"	1.007276
"136500"	156.041976	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2H"	2.014552
"576066"	233.559326	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2H"	2.014552
"1051431"	78.524626	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2H"	2.014552
"219782"	104.363742666667	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+3H"	3.021828
"658162"	156.041976	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+3H"	3.021828
"1172643"	52.6855093333333	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+3H"	3.021828
"438709"	328.103223	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+NH4"	18.033823
"792535"	483.137923	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+NH4"	18.033823
"1691053"	173.068523	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4"	18.033823
"336052"	164.5552495	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+NH4"	19.041099
"728474"	242.0725995	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+NH4"	19.041099
"1482295"	87.0378995	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+NH4"	19.041099
"395141"	333.058618	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Na"	22.989218
"759783"	488.093318	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+Na"	22.989218
"1614444"	178.023918	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na"	22.989218
"321205"	167.032947	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+Na"	23.996494
"710343"	244.550297	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+Na"	23.996494
"1466350"	89.515597	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+Na"	23.996494
"1054129"	60.0128233333333	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2H+Na"	25.00377
"1260545"	188.068186	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+CH3OH+H"	33.033486
"381307"	349.032558	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+K"	38.963158
"741209"	504.067258	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+K"	38.963158
"1543628"	193.997858	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K"	38.963158
"304812"	175.019917	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+K"	39.970434
"700151"	252.537267	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+K"	39.970434
"1450692"	97.502567	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+K"	39.970434
"237837"	352.103226	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+ACN+H"	42.033826
"1214554"	197.068526	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+H"	42.033826
"1200260"	99.037901	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+2H"	43.041102
"190579"	355.04056	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Na-H"	44.97116
"632327"	510.07526	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Na-H"	44.97116
"1134739"	200.00586	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2Na-H"	44.97116
"174384"	178.023918	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Na"	45.978436
"617233"	255.541268	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Na"	45.978436
"1118187"	100.506568	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2Na"	45.978436
"1406088"	67.3401373333333	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+2Na"	46.985712
"1434922"	202.047446	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+HCOOH"	47.012746
"225714"	183.05694	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+3H2O+2H"	56.04448
"1510490"	216.09949	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+IsoProp+H"	61.06479
"410904"	186.010888	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Na+K"	61.952376
"771658"	263.528238	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+Na+K"	61.952376
"1667142"	108.493538	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+K"	61.952376
"255485"	374.085168	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+ACN+Na"	64.015768
"1226849"	219.050468	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+Na"	64.015768
"1712940"	219.073993	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4+HCOOH"	64.039293
"1179259"	74.6674513333333	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+3Na"	68.967654
"1651963"	224.029388	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+HCOOH"	68.994688
"159917"	386.98844	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2K-H"	76.91904
"598384"	542.02314	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2K-H"	76.91904
"1085569"	231.95374	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2K-H"	76.91904
"146275"	193.997858	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2K"	77.926316
"581860"	271.515208	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2K"	77.926316
"1068880"	116.480508	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2K"	77.926316
"1102462"	233.968292	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2K+H"	78.933592
"1336534"	234.055907	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+DMSO+H"	79.021207
"1006403"	238.095076	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2ACN+H"	83.060376
"1525139"	239.088708	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+IsoProp+Na+H"	84.054008
"995234"	119.551176	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2ACN+2H"	84.067652
"1591193"	240.003328	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K+HCOOH"	84.968628
"1414334"	270.034838	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+CF3COOH"	115.000138
"1147504"	140.064451	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+3ACN+2H"	125.094202
"1697911"	287.061385	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4+CF3COOH"	132.026685
"1635267"	292.01678	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+CF3COOH"	136.98208
"1585141"	307.99072	"C04122"	"D-1-Aminopropan-2-ol O-phosphate;(R)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K+CF3COOH"	152.95602
"816969"	155.0347	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M"	0
"982488"	136.01631	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H2O-H"	-19.01839
"67450"	102.349190666667	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-3H"	-3.021828
"512478"	154.027424	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-3H"	-3.021828
"889185"	50.6709573333333	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-3H"	-3.021828
"6666"	154.027424	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H"	-2.014552
"452787"	231.544774	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H"	-2.014552
"826215"	76.510074	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H"	-2.014552
"89487"	309.062124	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-H"	-1.007276
"533420"	464.096824	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-H"	-1.007276
"910128"	154.027424	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H"	-1.007276
"61952"	326.088671	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+NH4"	16.019271
"499690"	481.123371	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+NH4"	16.019271
"874212"	171.053971	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+NH4"	16.019271
"44299"	331.044066	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+Na"	20.974666
"477302"	486.078766	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+Na"	20.974666
"856195"	176.009366	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+Na"	20.974666
"1631198"	176.009366	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na-2H"	20.974666
"109388"	172.015763	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-H+Cl"	33.962126
"541821"	249.533113	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-H+Cl"	33.962126
"933149"	94.498413	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+Cl"	33.962126
"276080"	345.038802	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Cl"	34.969402
"664127"	500.073502	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+Cl"	34.969402
"1280906"	190.004102	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl"	34.969402
"26744"	347.018006	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M-2H+K"	36.948606
"464118"	502.052706	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M-2H+K"	36.948606
"841919"	191.983306	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-2H+K"	36.948606
"1566501"	191.983306	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K-2H"	36.948606
"955479"	200.032894	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+HCOOH"	44.998194
"370414"	355.067601	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+HCOOH-H"	44.998201
"357212"	369.083251	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Hac-H"	59.013851
"1503128"	214.048551	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Hac-H"	59.013851
"966296"	222.014851	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+NaCOOH"	66.980151
"118485"	190.004102	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Cl"	69.938804
"558046"	267.521452	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Cl"	69.938804
"1031219"	112.486752	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2Cl"	69.938804
"1249706"	233.953585	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Br"	78.918885
"1313247"	236.009572	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+HCOOH"	80.974872
"1329652"	257.991529	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+NaCOOH"	102.956829
"925094"	268.020286	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M-H+CF3COOH"	112.985586
"1302896"	303.996964	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Cl+CF3COOH"	148.962264
"1382276"	120.022024	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H-2H2O"	-35.012676
"1394902"	138.032	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H-H2O"	-17.0027
"290581"	311.076676	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H"	1.007276
"687741"	466.111376	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H"	1.007276
"1362639"	156.041976	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H"	1.007276
"134798"	156.041976	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2H"	2.014552
"577274"	233.559326	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2H"	2.014552
"1049354"	78.524626	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2H"	2.014552
"219444"	104.363742666667	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+3H"	3.021828
"658514"	156.041976	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+3H"	3.021828
"1176033"	52.6855093333333	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+3H"	3.021828
"433474"	328.103223	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+NH4"	18.033823
"798117"	483.137923	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+NH4"	18.033823
"1690071"	173.068523	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4"	18.033823
"336164"	164.5552495	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+NH4"	19.041099
"734051"	242.0725995	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+NH4"	19.041099
"1481313"	87.0378995	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+NH4"	19.041099
"399993"	333.058618	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Na"	22.989218
"766455"	488.093318	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+Na"	22.989218
"1614554"	178.023918	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na"	22.989218
"315119"	167.032947	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+Na"	23.996494
"707536"	244.550297	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+Na"	23.996494
"1464279"	89.515597	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+Na"	23.996494
"1054605"	60.0128233333333	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2H+Na"	25.00377
"1260296"	188.068186	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+CH3OH+H"	33.033486
"381419"	349.032558	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+K"	38.963158
"740955"	504.067258	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+K"	38.963158
"1544833"	193.997858	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K"	38.963158
"303831"	175.019917	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+H+K"	39.970434
"694067"	252.537267	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+H+K"	39.970434
"1448979"	97.502567	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+K"	39.970434
"244872"	352.103226	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+ACN+H"	42.033826
"1219769"	197.068526	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+H"	42.033826
"1200371"	99.037901	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+2H"	43.041102
"197616"	355.04056	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Na-H"	44.97116
"630733"	510.07526	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Na-H"	44.97116
"1132539"	200.00586	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2Na-H"	44.97116
"174371"	178.023918	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2Na"	45.978436
"614669"	255.541268	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2Na"	45.978436
"1120122"	100.506568	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2Na"	45.978436
"1404014"	67.3401373333333	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+2Na"	46.985712
"1430781"	202.047446	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+HCOOH"	47.012746
"220352"	183.05694	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+3H2O+2H"	56.04448
"1508699"	216.09949	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+IsoProp+H"	61.06479
"415762"	186.010888	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+Na+K"	61.952376
"774571"	263.528238	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+Na+K"	61.952376
"1670901"	108.493538	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+K"	61.952376
"254505"	374.085168	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+ACN+Na"	64.015768
"1228669"	219.050468	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+ACN+Na"	64.015768
"1715734"	219.073993	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4+HCOOH"	64.039293
"1183275"	74.6674513333333	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+3Na"	68.967654
"1652560"	224.029388	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+HCOOH"	68.994688
"159298"	386.98844	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2K-H"	76.91904
"601775"	542.02314	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2K-H"	76.91904
"1091755"	231.95374	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2K-H"	76.91904
"145291"	193.997858	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"2M+2K"	77.926316
"585947"	271.515208	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"3M+2K"	77.926316
"1068996"	116.480508	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2K"	77.926316
"1101844"	233.968292	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2K+H"	78.933592
"1338960"	234.055907	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+DMSO+H"	79.021207
"1015144"	238.095076	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2ACN+H"	83.060376
"1524438"	239.088708	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+IsoProp+Na+H"	84.054008
"990481"	119.551176	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+2ACN+2H"	84.067652
"1587661"	240.003328	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K+HCOOH"	84.968628
"1414411"	270.034838	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+H+CF3COOH"	115.000138
"1147085"	140.064451	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+3ACN+2H"	125.094202
"1697539"	287.061385	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+NH4+CF3COOH"	132.026685
"1636477"	292.01678	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+Na+CF3COOH"	136.98208
"1575410"	307.99072	"C04126"	"L-1-Aminopropan-2-ol O-phosphate;(S)-1-Aminopropan-2-yl phosphate"	"C3H10NO4P"	"155.0347"	"M+K+CF3COOH"	152.95602
"814527"	214.1192	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M"	0
"982597"	195.10081	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-H2O-H"	-19.01839
"73023"	141.738857333333	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M-3H"	-3.021828
"513679"	213.111924	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M-3H"	-3.021828
"884919"	70.3657906666667	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-3H"	-3.021828
"6775"	213.111924	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M-2H"	-2.014552
"450708"	320.171524	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M-2H"	-2.014552
"823042"	106.052324	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-2H"	-2.014552
"81942"	427.231124	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M-H"	-1.007276
"525877"	641.350324	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M-H"	-1.007276
"908783"	213.111924	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-H"	-1.007276
"51124"	444.257671	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M-2H+NH4"	16.019271
"494330"	658.376871	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M-2H+NH4"	16.019271
"869945"	230.138471	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-2H+NH4"	16.019271
"41127"	449.213066	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M-2H+Na"	20.974666
"479596"	663.332266	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M-2H+Na"	20.974666
"852294"	235.093866	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-2H+Na"	20.974666
"1625840"	235.093866	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Na-2H"	20.974666
"105650"	231.100263	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M-H+Cl"	33.962126
"545209"	338.159863	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M-H+Cl"	33.962126
"929977"	124.040663	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-H+Cl"	33.962126
"267599"	463.207802	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+Cl"	34.969402
"664238"	677.327002	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+Cl"	34.969402
"1275548"	249.088602	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Cl"	34.969402
"23575"	465.187006	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M-2H+K"	36.948606
"459854"	679.306206	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M-2H+K"	36.948606
"839843"	251.067806	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-2H+K"	36.948606
"1560050"	251.067806	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+K-2H"	36.948606
"945746"	259.117394	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-H+HCOOH"	44.998194
"367243"	473.236601	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+HCOOH-H"	44.998201
"348939"	487.252251	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+Hac-H"	59.013851
"1498868"	273.133051	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Hac-H"	59.013851
"966409"	281.099351	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-H+NaCOOH"	66.980151
"121880"	249.088602	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+2Cl"	69.938804
"558157"	356.148202	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+2Cl"	69.938804
"1033520"	142.029002	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2Cl"	69.938804
"1252003"	293.038085	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Br"	78.918885
"1318348"	295.094072	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Cl+HCOOH"	80.974872
"1334876"	317.076029	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Cl+NaCOOH"	102.956829
"926298"	327.104786	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M-H+CF3COOH"	112.985586
"1303695"	363.081464	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Cl+CF3COOH"	148.962264
"1381527"	179.106524	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H-2H2O"	-35.012676
"1391004"	197.1165	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H-H2O"	-17.0027
"289597"	429.245676	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+H"	1.007276
"689682"	643.364876	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+H"	1.007276
"1360560"	215.126476	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H"	1.007276
"137460"	215.126476	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+2H"	2.014552
"577748"	322.186076	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+2H"	2.014552
"1050192"	108.066876	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2H"	2.014552
"213718"	143.753409333333	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+3H"	3.021828
"650365"	215.126476	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+3H"	3.021828
"1167394"	72.3803426666667	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+3H"	3.021828
"435406"	446.272223	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+NH4"	18.033823
"793487"	660.391423	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+NH4"	18.033823
"1690182"	232.153023	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+NH4"	18.033823
"336274"	223.6397495	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+H+NH4"	19.041099
"726874"	330.6993495	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+H+NH4"	19.041099
"1484705"	116.5801495	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H+NH4"	19.041099
"399010"	451.227618	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+Na"	22.989218
"765472"	665.346818	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+Na"	22.989218
"1605922"	237.108418	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Na"	22.989218
"320334"	226.117447	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+H+Na"	23.996494
"713850"	333.177047	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+H+Na"	23.996494
"1461958"	119.057847	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H+Na"	23.996494
"1056538"	79.7076566666667	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2H+Na"	25.00377
"1262592"	247.152686	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+CH3OH+H"	33.033486
"382259"	467.201558	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+K"	38.963158
"743253"	681.320758	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+K"	38.963158
"1545673"	253.082358	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+K"	38.963158
"302851"	234.104417	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+H+K"	39.970434
"694174"	341.164017	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+H+K"	39.970434
"1449092"	127.044817	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H+K"	39.970434
"238422"	470.272226	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+ACN+H"	42.033826
"1219879"	256.153026	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+ACN+H"	42.033826
"1204855"	128.580151	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+ACN+2H"	43.041102
"189218"	473.20956	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+2Na-H"	44.97116
"629271"	687.32876	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+2Na-H"	44.97116
"1132771"	259.09036	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2Na-H"	44.97116
"174247"	237.108418	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+2Na"	45.978436
"615271"	344.168018	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+2Na"	45.978436
"1116341"	130.048818	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2Na"	45.978436
"1399863"	87.0349706666667	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H+2Na"	46.985712
"1430283"	261.131946	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H+HCOOH"	47.012746
"220253"	242.14144	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+3H2O+2H"	56.04448
"1508600"	275.18399	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+IsoProp+H"	61.06479
"413686"	245.095388	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+Na+K"	61.952376
"773588"	352.154988	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+Na+K"	61.952376
"1668094"	138.035788	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Na+K"	61.952376
"255343"	492.254168	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+ACN+Na"	64.015768
"1229145"	278.134968	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+ACN+Na"	64.015768
"1718032"	278.158493	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+NH4+HCOOH"	64.039293
"1186665"	94.3622846666667	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+3Na"	68.967654
"1654370"	283.113888	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Na+HCOOH"	68.994688
"164512"	505.15744	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+2K-H"	76.91904
"601885"	719.27664	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+2K-H"	76.91904
"1092229"	291.03824	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2K-H"	76.91904
"144308"	253.082358	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"2M+2K"	77.926316
"586056"	360.141958	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"3M+2K"	77.926316
"1072756"	146.022758	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2K"	77.926316
"1101591"	293.052792	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2K+H"	78.933592
"1339070"	293.140407	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+DMSO+H"	79.021207
"1005855"	297.179576	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2ACN+H"	83.060376
"1525363"	298.173208	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+IsoProp+Na+H"	84.054008
"990023"	149.093426	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+2ACN+2H"	84.067652
"1588014"	299.087828	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+K+HCOOH"	84.968628
"1415623"	329.119338	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+H+CF3COOH"	115.000138
"1150290"	169.606701	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+3ACN+2H"	125.094202
"1702029"	346.145885	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+NH4+CF3COOH"	132.026685
"1636588"	351.10128	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+Na+CF3COOH"	136.98208
"1572968"	367.07522	"C04130"	"Methyl 2-diazoacetamidohexanoate"	"C9H16N3O3"	"214.1192"	"M+K+CF3COOH"	152.95602
"810267"	301.0468	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M"	0
"981613"	282.02841	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H2O-H"	-19.01839
"67667"	199.690590666667	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-3H"	-3.021828
"507228"	300.039524	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-3H"	-3.021828
"883934"	99.3416573333333	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-3H"	-3.021828
"5789"	300.039524	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H"	-2.014552
"443163"	450.562924	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H"	-2.014552
"824245"	149.516124	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H"	-2.014552
"88611"	601.086324	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H"	-1.007276
"529266"	902.133124	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H"	-1.007276
"902692"	300.039524	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H"	-1.007276
"52693"	618.112871	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+NH4"	16.019271
"493346"	919.159671	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+NH4"	16.019271
"872242"	317.066071	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+NH4"	16.019271
"41968"	623.068266	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+Na"	20.974666
"476789"	924.115066	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+Na"	20.974666
"852772"	322.021466	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+Na"	20.974666
"1624856"	322.021466	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na-2H"	20.974666
"98105"	318.027863	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H+Cl"	33.962126
"535031"	468.551263	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H+Cl"	33.962126
"928017"	167.504463	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+Cl"	33.962126
"268033"	637.063002	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Cl"	34.969402
"663254"	938.109802	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Cl"	34.969402
"1277849"	336.016202	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl"	34.969402
"16271"	639.042206	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+K"	36.948606
"459962"	940.089006	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+K"	36.948606
"836671"	337.995406	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+K"	36.948606
"1561255"	337.995406	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K-2H"	36.948606
"951326"	346.044994	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+HCOOH"	44.998194
"366259"	647.091801	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+HCOOH-H"	44.998201
"354520"	661.107451	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Hac-H"	59.013851
"1508302"	360.060651	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Hac-H"	59.013851
"972961"	368.026951	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+NaCOOH"	66.980151
"121989"	336.016202	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Cl"	69.938804
"558270"	486.539602	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Cl"	69.938804
"1033631"	185.492802	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Cl"	69.938804
"1256013"	379.965685	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Br"	78.918885
"1318949"	382.021672	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+HCOOH"	80.974872
"1332064"	404.003629	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+NaCOOH"	102.956829
"923120"	414.032386	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+CF3COOH"	112.985586
"1302016"	450.009064	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+CF3COOH"	148.962264
"1372523"	266.034124	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-2H2O"	-35.012676
"1386743"	284.0441	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-H2O"	-17.0027
"294086"	603.100876	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H"	1.007276
"685416"	904.147676	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H"	1.007276
"1360669"	302.054076	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H"	1.007276
"133559"	302.054076	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2H"	2.014552
"570931"	452.577476	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2H"	2.014552
"1044107"	151.530676	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H"	2.014552
"209823"	201.705142666667	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H"	3.021828
"647195"	302.054076	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+3H"	3.021828
"1165320"	101.356209333333	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+3H"	3.021828
"432967"	620.127423	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+NH4"	18.033823
"795056"	921.174223	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+NH4"	18.033823
"1688106"	319.080623	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4"	18.033823
"336385"	310.5673495	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+NH4"	19.041099
"728806"	461.0907495	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+NH4"	19.041099
"1484816"	160.0439495	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+NH4"	19.041099
"399121"	625.082818	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na"	22.989218
"755746"	926.129618	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na"	22.989218
"1603844"	324.036018	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na"	22.989218
"318261"	313.045047	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+Na"	23.996494
"712869"	463.568447	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+Na"	23.996494
"1461947"	162.521647	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+Na"	23.996494
"1055556"	108.683523333333	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H+Na"	25.00377
"1259422"	334.080286	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+CH3OH+H"	33.033486
"380184"	641.056758	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+K"	38.963158
"742275"	942.103558	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+K"	38.963158
"1540003"	340.009958	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K"	38.963158
"302228"	321.032017	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+K"	39.970434
"695015"	471.555417	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+K"	39.970434
"1445696"	170.508617	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+K"	39.970434
"237438"	644.127426	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+H"	42.033826
"1214521"	343.080626	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+H"	42.033826
"1196954"	172.043951	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+2H"	43.041102
"190556"	647.06476	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na-H"	44.97116
"630479"	948.11156	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na-H"	44.97116
"1132285"	346.01796	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na-H"	44.97116
"175823"	324.036018	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na"	45.978436
"613439"	474.559418	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na"	45.978436
"1117554"	173.512618	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na"	45.978436
"1399124"	116.010837333333	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+2Na"	46.985712
"1436354"	348.059546	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+HCOOH"	47.012746
"222768"	329.06904	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H2O+2H"	56.04448
"1508593"	362.11159	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+H"	61.06479
"414891"	332.022988	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na+K"	61.952376
"774063"	482.546388	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na+K"	61.952376
"1673312"	181.499588	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+K"	61.952376
"256550"	666.109368	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+Na"	64.015768
"1233632"	365.062568	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+Na"	64.015768
"1717413"	365.086093	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+HCOOH"	64.039293
"1184589"	123.338151333333	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+3Na"	68.967654
"1657762"	370.041488	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+HCOOH"	68.994688
"165715"	679.01264	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K-H"	76.91904
"604181"	980.05944	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K-H"	76.91904
"1091975"	377.96584	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K-H"	76.91904
"143689"	340.009958	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K"	77.926316
"587260"	490.533358	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K"	77.926316
"1071772"	189.486558	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K"	77.926316
"1101701"	379.980392	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K+H"	78.933592
"1338091"	380.068007	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+DMSO+H"	79.021207
"1009906"	384.107176	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+H"	83.060376
"1525844"	385.100808	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+Na+H"	84.054008
"990953"	192.557226	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+2H"	84.067652
"1588251"	386.015428	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+HCOOH"	84.968628
"1427769"	416.046938	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+CF3COOH"	115.000138
"1150766"	213.070501	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+3ACN+2H"	125.094202
"1701049"	433.073485	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+CF3COOH"	132.026685
"1634876"	438.02888	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+CF3COOH"	136.98208
"1573809"	454.00282	"C04132"	"N-Acetyl-D-glucosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+CF3COOH"	152.95602
"808190"	269.0301	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M"	0
"983909"	250.01171	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-H2O-H"	-19.01839
"68870"	178.346124	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M-3H"	-3.021828
"507337"	268.022824	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M-3H"	-3.021828
"887323"	88.669424	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-3H"	-3.021828
"6992"	268.022824	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M-2H"	-2.014552
"445459"	402.537874	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M-2H"	-2.014552
"825448"	133.507774	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-2H"	-2.014552
"88721"	537.052924	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M-H"	-1.007276
"521722"	806.083024	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M-H"	-1.007276
"908269"	268.022824	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-H"	-1.007276
"58270"	554.079471	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M-2H+NH4"	16.019271
"495644"	823.109571	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M-2H+NH4"	16.019271
"873445"	285.049371	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-2H+NH4"	16.019271
"42806"	559.034866	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M-2H+Na"	20.974666
"475441"	828.064966	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M-2H+Na"	20.974666
"849968"	290.004766	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-2H+Na"	20.974666
"1626060"	290.004766	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Na-2H"	20.974666
"98215"	286.011163	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M-H+Cl"	33.962126
"535102"	420.526213	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M-H+Cl"	33.962126
"929101"	151.496113	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-H+Cl"	33.962126
"267901"	573.029602	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+Cl"	34.969402
"663364"	842.059702	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+Cl"	34.969402
"1275772"	303.999502	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Cl"	34.969402
"17232"	575.008806	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M-2H+K"	36.948606
"456792"	844.038906	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M-2H+K"	36.948606
"836782"	305.978706	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-2H+K"	36.948606
"1555897"	305.978706	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+K-2H"	36.948606
"954716"	314.028294	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-H+HCOOH"	44.998194
"367464"	583.058401	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+HCOOH-H"	44.998201
"356452"	597.074051	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+Hac-H"	59.013851
"1508084"	328.043951	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Hac-H"	59.013851
"973923"	336.010251	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-H+NaCOOH"	66.980151
"125105"	303.999502	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+2Cl"	69.938804
"561662"	438.514552	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+2Cl"	69.938804
"1033741"	169.484452	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2Cl"	69.938804
"1255508"	347.948985	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Br"	78.918885
"1318690"	350.004972	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Cl+HCOOH"	80.974872
"1329987"	371.986929	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Cl+NaCOOH"	102.956829
"918856"	382.015686	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M-H+CF3COOH"	112.985586
"1293378"	417.992364	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Cl+CF3COOH"	148.962264
"1368625"	234.017424	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H-2H2O"	-35.012676
"1389040"	252.0274	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H-H2O"	-17.0027
"289822"	539.067476	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+H"	1.007276
"688804"	808.097576	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+H"	1.007276
"1360779"	270.037376	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H"	1.007276
"132575"	270.037376	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+2H"	2.014552
"574321"	404.552426	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+2H"	2.014552
"1039842"	135.522326	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2H"	2.014552
"209933"	180.360676	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+3H"	3.021828
"645604"	270.037376	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+3H"	3.021828
"1164700"	90.683976	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+3H"	3.021828
"429797"	556.094023	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+NH4"	18.033823
"794073"	825.124123	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+NH4"	18.033823
"1685300"	287.063923	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+NH4"	18.033823
"339413"	278.5506495	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+H+NH4"	19.041099
"728916"	413.0656995	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+H+NH4"	19.041099
"1487479"	144.0355995	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H+NH4"	19.041099
"401418"	561.049418	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+Na"	22.989218
"758043"	830.079518	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+Na"	22.989218
"1605412"	292.019318	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Na"	22.989218
"318371"	281.028347	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+H+Na"	23.996494
"711885"	415.543397	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+H+Na"	23.996494
"1463517"	146.513297	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H+Na"	23.996494
"1055668"	98.01129	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2H+Na"	25.00377
"1262811"	302.063586	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+CH3OH+H"	33.033486
"380294"	577.023358	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+K"	38.963158
"741291"	846.053458	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+K"	38.963158
"1542249"	307.993258	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+K"	38.963158
"303797"	289.015317	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+H+K"	39.970434
"696219"	423.530367	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+H+K"	39.970434
"1446027"	154.500267	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H+K"	39.970434
"237913"	580.094026	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+ACN+H"	42.033826
"1214631"	311.063926	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+ACN+H"	42.033826
"1194873"	156.035601	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+ACN+2H"	43.041102
"190663"	583.03136	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+2Na-H"	44.97116
"630590"	852.06146	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+2Na-H"	44.97116
"1131624"	314.00126	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2Na-H"	44.97116
"174597"	292.019318	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+2Na"	45.978436
"613548"	426.534368	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+2Na"	45.978436
"1118879"	157.504268	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2Na"	45.978436
"1398746"	105.338604	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H+2Na"	46.985712
"1435370"	316.042846	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H+HCOOH"	47.012746
"222999"	297.05234	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+3H2O+2H"	56.04448
"1508479"	330.09489	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+IsoProp+H"	61.06479
"415001"	300.006288	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+Na+K"	61.952376
"773809"	434.521338	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+Na+K"	61.952376
"1674515"	165.491238	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Na+K"	61.952376
"253380"	602.075968	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+ACN+Na"	64.015768
"1235565"	333.045868	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+ACN+Na"	64.015768
"1719346"	333.069393	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+NH4+HCOOH"	64.039293
"1183605"	112.665918	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+3Na"	68.967654
"1653500"	338.024788	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Na+HCOOH"	68.994688
"161453"	614.97924	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+2K-H"	76.91904
"604294"	884.00934	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+2K-H"	76.91904
"1090992"	345.94914	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2K-H"	76.91904
"142707"	307.993258	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"2M+2K"	77.926316
"585184"	442.508308	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"3M+2K"	77.926316
"1069817"	173.478208	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2K"	77.926316
"1101324"	347.963692	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2K+H"	78.933592
"1339294"	348.051307	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+DMSO+H"	79.021207
"1010016"	352.090476	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2ACN+H"	83.060376
"1527047"	353.084108	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+IsoProp+Na+H"	84.054008
"995683"	176.548876	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+2ACN+2H"	84.067652
"1590185"	353.998728	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+K+HCOOH"	84.968628
"1423502"	384.030238	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+H+CF3COOH"	115.000138
"1152699"	197.062151	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+3ACN+2H"	125.094202
"1698972"	401.056785	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+NH4+CF3COOH"	132.026685
"1636809"	406.01218	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+Na+CF3COOH"	136.98208
"1573555"	421.98612	"C04133"	"N-Acetyl-L-glutamate 5-phosphate;N-Acetyl-L-glutamyl 5-phosphate"	"C7H12NO8P"	"269.0301"	"M+K+CF3COOH"	152.95602
"809393"	246.1328	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M"	0
"982927"	227.11441	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-H2O-H"	-19.01839
"71168"	163.081257333333	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M-3H"	-3.021828
"506353"	245.125524	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M-3H"	-3.021828
"885247"	81.0369906666667	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-3H"	-3.021828
"4915"	245.125524	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M-2H"	-2.014552
"445567"	368.191924	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M-2H"	-2.014552
"821185"	122.059124	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-2H"	-2.014552
"82274"	491.258324	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M-H"	-1.007276
"524018"	737.391124	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M-H"	-1.007276
"899996"	245.125524	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-H"	-1.007276
"52914"	508.284871	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M-2H+NH4"	16.019271
"497947"	754.417671	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M-2H+NH4"	16.019271
"870284"	262.152071	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-2H+NH4"	16.019271
"36000"	513.240266	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M-2H+Na"	20.974666
"474830"	759.373066	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M-2H+Na"	20.974666
"853361"	267.107466	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-2H+Na"	20.974666
"1623988"	267.107466	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Na-2H"	20.974666
"105984"	263.113863	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M-H+Cl"	33.962126
"543357"	386.180263	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M-H+Cl"	33.962126
"932504"	140.047463	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-H+Cl"	33.962126
"274339"	527.235002	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+Cl"	34.969402
"670040"	773.367802	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+Cl"	34.969402
"1278068"	281.102202	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Cl"	34.969402
"16368"	529.214206	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M-2H+K"	36.948606
"461281"	775.347006	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M-2H+K"	36.948606
"846378"	283.081406	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-2H+K"	36.948606
"1564761"	283.081406	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+K-2H"	36.948606
"957753"	291.130994	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-H+HCOOH"	44.998194
"375967"	537.263801	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+HCOOH-H"	44.998201
"360212"	551.279451	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+Hac-H"	59.013851
"1507841"	305.146651	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Hac-H"	59.013851
"972949"	313.112951	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-H+NaCOOH"	66.980151
"124043"	281.102202	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+2Cl"	69.938804
"564699"	404.168602	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+2Cl"	69.938804
"1030573"	158.035802	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2Cl"	69.938804
"1247968"	325.051685	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Br"	78.918885
"1311509"	327.107672	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Cl+HCOOH"	80.974872
"1334606"	349.089629	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Cl+NaCOOH"	102.956829
"923714"	359.118386	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M-H+CF3COOH"	112.985586
"1295683"	395.095064	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Cl+CF3COOH"	148.962264
"1374936"	211.120124	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H-2H2O"	-35.012676
"1389519"	229.1301	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H-H2O"	-17.0027
"287747"	493.272876	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+H"	1.007276
"682358"	739.405676	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+H"	1.007276
"1356517"	247.140076	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H"	1.007276
"131595"	247.140076	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+2H"	2.014552
"575531"	370.206476	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+2H"	2.014552
"1045059"	124.073676	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2H"	2.014552
"213325"	165.095809333333	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+3H"	3.021828
"649604"	247.140076	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+3H"	3.021828
"1172103"	83.0515426666667	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+3H"	3.021828
"432095"	510.299423	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+NH4"	18.033823
"789809"	756.432223	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+NH4"	18.033823
"1686141"	264.166623	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+NH4"	18.033823
"336607"	255.6533495	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+H+NH4"	19.041099
"737056"	378.7197495	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+H+NH4"	19.041099
"1488326"	132.5869495	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H+NH4"	19.041099
"397531"	515.254818	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+Na"	22.989218
"763630"	761.387618	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+Na"	22.989218
"1609540"	269.122018	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Na"	22.989218
"319212"	258.131047	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+H+Na"	23.996494
"710538"	381.197447	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+H+Na"	23.996494
"1468004"	135.064647	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H+Na"	23.996494
"1059061"	90.3788566666667	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2H+Na"	25.00377
"1259279"	279.166286	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+CH3OH+H"	33.033486
"378464"	531.228758	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+K"	38.963158
"741405"	777.361558	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+K"	38.963158
"1540539"	285.095958	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+K"	38.963158
"298849"	266.118017	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+H+K"	39.970434
"691632"	389.184417	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+H+K"	39.970434
"1447604"	143.051617	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H+K"	39.970434
"239123"	534.299426	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+ACN+H"	42.033826
"1211468"	288.166626	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+ACN+H"	42.033826
"1198639"	144.586951	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+ACN+2H"	43.041102
"192606"	537.23676	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+2Na-H"	44.97116
"630464"	783.36956	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+2Na-H"	44.97116
"1140048"	291.10396	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2Na-H"	44.97116
"178964"	269.122018	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+2Na"	45.978436
"613663"	392.188418	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+2Na"	45.978436
"1116803"	146.055618	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2Na"	45.978436
"1398459"	97.7061706666667	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H+2Na"	46.985712
"1432201"	293.145546	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H+HCOOH"	47.012746
"219994"	274.15504	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+3H2O+2H"	56.04448
"1509960"	307.19759	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+IsoProp+H"	61.06479
"409646"	277.108988	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+Na+K"	61.952376
"775014"	400.175388	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+Na+K"	61.952376
"1666119"	154.042588	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Na+K"	61.952376
"252760"	556.281368	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+ACN+Na"	64.015768
"1231663"	310.148568	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+ACN+Na"	64.015768
"1717269"	310.172093	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+NH4+HCOOH"	64.039293
"1184811"	105.033484666667	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+3Na"	68.967654
"1653611"	315.127488	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Na+HCOOH"	68.994688
"159379"	569.18464	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+2K-H"	76.91904
"602219"	815.31744	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+2K-H"	76.91904
"1086732"	323.05184	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2K-H"	76.91904
"143547"	285.095958	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"2M+2K"	77.926316
"585668"	408.162358	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"3M+2K"	77.926316
"1072004"	162.029558	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2K"	77.926316
"1103389"	325.066392	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2K+H"	78.933592
"1342694"	325.154007	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+DMSO+H"	79.021207
"1015599"	329.193176	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2ACN+H"	83.060376
"1532628"	330.186808	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+IsoProp+Na+H"	84.054008
"999083"	165.100226	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+2ACN+2H"	84.067652
"1601244"	331.101428	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+K+HCOOH"	84.968628
"1422526"	361.132938	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+H+CF3COOH"	115.000138
"1157920"	185.613501	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+3ACN+2H"	125.094202
"1706742"	378.159485	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+NH4+CF3COOH"	132.026685
"1643486"	383.11488	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+Na+CF3COOH"	136.98208
"1585697"	399.08882	"C04137"	"D-Octopine;N2-(D-1-Carboxyethyl)-L-arginine;N2-(1-Carboxyethyl)-L-arginine;Arginine N2-(1-carboxyethyl)- L-;D-()-Octopine;L-Arginine N2-(1-carboxyethyl)- (R)-;L-Arginine N2-(1R)-1-carboxyethyl-;Octopine"	"C9H18N4O4"	"246.1328"	"M+K+CF3COOH"	152.95602
"806223"	240.1222	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M"	0
"980850"	221.10381	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-H2O-H"	-19.01839
"63988"	159.074190666667	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M-3H"	-3.021828
"504637"	239.114924	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M-3H"	-3.021828
"882076"	79.0334573333333	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-3H"	-3.021828
"3931"	239.114924	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M-2H"	-2.014552
"443491"	359.176024	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M-2H"	-2.014552
"823480"	119.053824	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-2H"	-2.014552
"86752"	479.237124	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M-H"	-1.007276
"522306"	719.359324	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M-H"	-1.007276
"901929"	239.114924	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-H"	-1.007276
"53025"	496.263671	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M-2H+NH4"	16.019271
"496964"	736.385871	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M-2H+NH4"	16.019271
"868208"	256.141471	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-2H+NH4"	16.019271
"36110"	501.219066	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M-2H+Na"	20.974666
"475304"	741.341266	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M-2H+Na"	20.974666
"853471"	261.096866	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-2H+Na"	20.974666
"1627378"	261.096866	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Na-2H"	20.974666
"103907"	257.103263	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M-H+Cl"	33.962126
"541280"	377.164363	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M-H+Cl"	33.962126
"931516"	137.042163	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-H+Cl"	33.962126
"269341"	515.213802	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+Cl"	34.969402
"665774"	755.336002	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+Cl"	34.969402
"1274895"	275.091602	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Cl"	34.969402
"17454"	517.193006	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M-2H+K"	36.948606
"457379"	757.315206	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M-2H+K"	36.948606
"844664"	277.070806	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-2H+K"	36.948606
"1565964"	277.070806	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+K-2H"	36.948606
"957863"	285.120394	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-H+HCOOH"	44.998194
"375349"	525.242601	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+HCOOH-H"	44.998201
"360081"	539.258251	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+Hac-H"	59.013851
"1507952"	299.136051	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Hac-H"	59.013851
"972937"	307.102351	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-H+NaCOOH"	66.980151
"125209"	275.091602	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+2Cl"	69.938804
"562254"	395.152702	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+2Cl"	69.938804
"1029589"	155.030502	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2Cl"	69.938804
"1253541"	319.041085	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Br"	78.918885
"1310526"	321.097072	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Cl+HCOOH"	80.974872
"1328024"	343.079029	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Cl+NaCOOH"	102.956829
"922364"	353.107786	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M-H+CF3COOH"	112.985586
"1296886"	389.084464	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Cl+CF3COOH"	148.962264
"1375047"	205.109524	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H-2H2O"	-35.012676
"1389263"	223.1195	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H-H2O"	-17.0027
"287857"	481.251676	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+H"	1.007276
"683559"	721.373876	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+H"	1.007276
"1354440"	241.129476	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H"	1.007276
"134984"	241.129476	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+2H"	2.014552
"576368"	361.190576	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+2H"	2.014552
"1046262"	121.068376	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2H"	2.014552
"212338"	161.088742666667	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+3H"	3.021828
"648618"	241.129476	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+3H"	3.021828
"1165651"	81.0480093333333	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+3H"	3.021828
"431111"	498.278223	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+NH4"	18.033823
"791012"	738.400423	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+NH4"	18.033823
"1686251"	258.156023	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+NH4"	18.033823
"335623"	249.6427495	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+H+NH4"	19.041099
"730239"	369.7038495	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+H+NH4"	19.041099
"1485155"	129.5816495	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H+NH4"	19.041099
"396548"	503.233618	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+Na"	22.989218
"763740"	743.355818	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+Na"	22.989218
"1607828"	263.111418	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Na"	22.989218
"318594"	252.120447	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+H+Na"	23.996494
"710284"	372.181547	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+H+Na"	23.996494
"1472488"	132.059347	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H+Na"	23.996494
"1065732"	88.3753233333333	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2H+Na"	25.00377
"1258541"	273.155686	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+CH3OH+H"	33.033486
"378573"	519.207558	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+K"	38.963158
"743702"	759.329758	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+K"	38.963158
"1541381"	279.085358	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+K"	38.963158
"300743"	260.107417	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+H+K"	39.970434
"692799"	380.168517	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+H+K"	39.970434
"1447350"	140.046317	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H+K"	39.970434
"239234"	522.278226	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+ACN+H"	42.033826
"1212307"	282.156026	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+ACN+H"	42.033826
"1194736"	141.581651	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+ACN+2H"	43.041102
"192714"	525.21556	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+2Na-H"	44.97116
"636648"	765.33776	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+2Na-H"	44.97116
"1140156"	285.09336	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2Na-H"	44.97116
"179072"	263.111418	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+2Na"	45.978436
"619725"	383.172518	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+2Na"	45.978436
"1116792"	143.050318	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2Na"	45.978436
"1398649"	95.7026373333333	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H+2Na"	46.985712
"1433404"	287.134946	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H+HCOOH"	47.012746
"220544"	268.14444	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+3H2O+2H"	56.04448
"1509098"	301.18699	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+IsoProp+H"	61.06479
"409756"	271.098388	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+Na+K"	61.952376
"775124"	391.159488	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+Na+K"	61.952376
"1667080"	151.037288	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Na+K"	61.952376
"255785"	544.260168	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+ACN+Na"	64.015768
"1233959"	304.137968	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+ACN+Na"	64.015768
"1719567"	304.161493	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+NH4+HCOOH"	64.039293
"1184922"	103.029951333333	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+3Na"	68.967654
"1653721"	309.116888	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Na+HCOOH"	68.994688
"162039"	557.16344	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+2K-H"	76.91904
"601236"	797.28564	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+2K-H"	76.91904
"1086840"	317.04124	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2K-H"	76.91904
"144021"	279.085358	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"2M+2K"	77.926316
"585414"	399.146458	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"3M+2K"	77.926316
"1072114"	159.024258	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2K"	77.926316
"1104229"	319.055792	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2K+H"	78.933592
"1343897"	319.143407	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+DMSO+H"	79.021207
"1013518"	323.182576	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2ACN+H"	83.060376
"1532738"	324.176208	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+IsoProp+Na+H"	84.054008
"1000284"	162.094926	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+2ACN+2H"	84.067652
"1590413"	325.090828	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+K+HCOOH"	84.968628
"1422636"	355.122338	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+H+CF3COOH"	115.000138
"1158030"	182.608201	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+3ACN+2H"	125.094202
"1707945"	372.148885	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+NH4+CF3COOH"	132.026685
"1643596"	377.10428	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+Na+CF3COOH"	136.98208
"1585807"	393.07822	"C04138"	"N(alpha)-gamma-L-Glutamylhistamine;Nalpha-gamma-L-glutamylhistamine"	"C10H16N4O3"	"240.1222"	"M+K+CF3COOH"	152.95602
"815815"	703.2562	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M"	0
"979869"	684.23781	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-H2O-H"	-19.01839
"68111"	467.830190666667	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M-3H"	-3.021828
"504752"	702.248924	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M-3H"	-3.021828
"894836"	233.411457333333	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-3H"	-3.021828
"14985"	702.248924	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M-2H"	-2.014552
"452358"	1053.877024	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M-2H"	-2.014552
"826880"	350.620824	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-2H"	-2.014552
"84683"	1405.505124	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M-H"	-1.007276
"522421"	2108.761324	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M-H"	-1.007276
"900958"	702.248924	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-H"	-1.007276
"53146"	1422.531671	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M-2H+NH4"	16.019271
"493799"	2125.787871	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M-2H+NH4"	16.019271
"869413"	719.275471	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-2H+NH4"	16.019271
"39503"	1427.487066	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M-2H+Na"	20.974666
"476877"	2130.743266	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M-2H+Na"	20.974666
"855770"	724.230866	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-2H+Na"	20.974666
"1625306"	724.230866	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Na-2H"	20.974666
"98553"	720.237263	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M-H+Cl"	33.962126
"536653"	1071.865363	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M-H+Cl"	33.962126
"928708"	368.609163	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-H+Cl"	33.962126
"268113"	1441.481802	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+Cl"	34.969402
"671362"	2144.738002	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+Cl"	34.969402
"1288342"	738.225602	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Cl"	34.969402
"31262"	1443.461006	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M-2H+K"	36.948606
"470988"	2146.717206	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M-2H+K"	36.948606
"847655"	740.204806	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-2H+K"	36.948606
"1570089"	740.204806	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+K-2H"	36.948606
"956514"	748.254394	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-H+HCOOH"	44.998194
"374729"	1451.510601	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+HCOOH-H"	44.998201
"357519"	1465.526251	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+Hac-H"	59.013851
"1505623"	762.270051	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Hac-H"	59.013851
"964782"	770.236351	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-H+NaCOOH"	66.980151
"115148"	738.225602	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+2Cl"	69.938804
"562001"	1089.853702	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+2Cl"	69.938804
"1034814"	386.597502	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2Cl"	69.938804
"1255124"	782.175085	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Br"	78.918885
"1306272"	784.231072	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Cl+HCOOH"	80.974872
"1322675"	806.213029	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Cl+NaCOOH"	102.956829
"917012"	816.241786	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M-H+CF3COOH"	112.985586
"1298096"	852.218464	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Cl+CF3COOH"	148.962264
"1377350"	668.243524	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H-2H2O"	-35.012676
"1390473"	686.2535	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H-H2O"	-17.0027
"291254"	1407.519676	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+H"	1.007276
"683673"	2110.775876	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+H"	1.007276
"1357836"	704.263476	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H"	1.007276
"132179"	704.263476	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+2H"	2.014552
"570284"	1055.891576	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+2H"	2.014552
"1042362"	352.635376	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2H"	2.014552
"210264"	469.844742666667	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+3H"	3.021828
"645451"	704.263476	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+3H"	3.021828
"1171236"	235.426009333333	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+3H"	3.021828
"425760"	1424.546223	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+NH4"	18.033823
"793321"	2127.802423	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+NH4"	18.033823
"1687466"	721.290023	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+NH4"	18.033823
"333556"	712.7767495	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+H+NH4"	19.041099
"725976"	1064.4048495	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+H+NH4"	19.041099
"1481981"	361.1486495	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H+NH4"	19.041099
"399567"	1429.501618	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+Na"	22.989218
"759471"	2132.757818	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+Na"	22.989218
"1614129"	726.245418	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Na"	22.989218
"326353"	715.254447	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+H+Na"	23.996494
"709298"	1066.882547	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+H+Na"	23.996494
"1464942"	363.626347	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H+Na"	23.996494
"1056000"	242.753323333333	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2H+Na"	25.00377
"1260229"	736.289686	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+CH3OH+H"	33.033486
"380261"	1445.475558	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+K"	38.963158
"740528"	2148.731758	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+K"	38.963158
"1542592"	742.219358	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+K"	38.963158
"301950"	723.241417	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+H+K"	39.970434
"699851"	1074.869517	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+H+K"	39.970434
"1452575"	371.613317	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H+K"	39.970434
"244460"	1448.546226	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+ACN+H"	42.033826
"1214980"	745.290026	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+ACN+H"	42.033826
"1199959"	373.148651	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+ACN+2H"	43.041102
"193922"	1451.48356	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+2Na-H"	44.97116
"632388"	2154.73976	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+2Na-H"	44.97116
"1133707"	748.22736	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2Na-H"	44.97116
"173385"	726.245418	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+2Na"	45.978436
"618013"	1077.873518	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+2Na"	45.978436
"1121521"	374.617318	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2Na"	45.978436
"1401033"	250.080637333333	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H+2Na"	46.985712
"1430959"	750.268946	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H+HCOOH"	47.012746
"221508"	731.27844	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+3H2O+2H"	56.04448
"1511272"	764.32099	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+IsoProp+H"	61.06479
"411321"	734.232388	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+Na+K"	61.952376
"773043"	1085.860488	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+Na+K"	61.952376
"1669375"	382.604288	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Na+K"	61.952376
"258082"	1470.528168	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+ACN+Na"	64.015768
"1227143"	767.271968	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+ACN+Na"	64.015768
"1717128"	767.295493	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+NH4+HCOOH"	64.039293
"1183207"	257.407951333333	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+3Na"	68.967654
"1656017"	772.250888	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Na+HCOOH"	68.994688
"163972"	1483.43144	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+2K-H"	76.91904
"609015"	2186.68764	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+2K-H"	76.91904
"1096807"	780.17524	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2K-H"	76.91904
"154964"	742.219358	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"2M+2K"	77.926316
"595371"	1093.847458	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"3M+2K"	77.926316
"1080977"	390.591258	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2K"	77.926316
"1110904"	782.189792	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2K+H"	78.933592
"1345109"	782.277407	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+DMSO+H"	79.021207
"1015826"	786.316576	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2ACN+H"	83.060376
"1530674"	787.310208	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+IsoProp+Na+H"	84.054008
"998215"	393.661926	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+2ACN+2H"	84.067652
"1597091"	788.224828	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+K+HCOOH"	84.968628
"1427126"	818.256338	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+H+CF3COOH"	115.000138
"1158509"	414.175201	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+3ACN+2H"	125.094202
"1711340"	835.282885	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+NH4+CF3COOH"	132.026685
"1649176"	840.23828	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+Na+CF3COOH"	136.98208
"1585919"	856.21222	"C04144"	"Tetrahydropteroyltri-L-glutamate;(6S)-H4PteGlu3"	"C29H37N9O12"	"703.2562"	"M+K+CF3COOH"	152.95602
"813008"	790.5066	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M"	0
"977063"	771.48821	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H2O-H"	-19.01839
"68221"	525.997124	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-3H"	-3.021828
"503769"	789.499324	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-3H"	-3.021828
"894337"	262.494924	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-3H"	-3.021828
"15095"	789.499324	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H"	-2.014552
"452468"	1184.752624	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H"	-2.014552
"828083"	394.246024	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H"	-2.014552
"84794"	1580.005924	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-H"	-1.007276
"521802"	2370.512524	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-H"	-1.007276
"904348"	789.499324	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H"	-1.007276
"56536"	1597.032471	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H+NH4"	16.019271
"490629"	2387.539071	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H+NH4"	16.019271
"872803"	806.525871	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H+NH4"	16.019271
"39613"	1601.987866	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H+Na"	20.974666
"475892"	2392.494466	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H+Na"	20.974666
"855880"	811.481266	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H+Na"	20.974666
"1626507"	811.481266	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na-2H"	20.974666
"99756"	807.487663	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-H+Cl"	33.962126
"536400"	1202.740963	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-H+Cl"	33.962126
"928452"	412.234363	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+Cl"	33.962126
"267206"	1615.982602	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Cl"	34.969402
"671107"	2406.489202	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+Cl"	34.969402
"1287887"	825.476002	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl"	34.969402
"31407"	1617.961806	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H+K"	36.948606
"470733"	2408.468406	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H+K"	36.948606
"847441"	827.455206	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H+K"	36.948606
"1569104"	827.455206	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K-2H"	36.948606
"955529"	835.504794	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+HCOOH"	44.998194
"374474"	1626.011401	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+HCOOH-H"	44.998201
"358357"	1640.027051	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Hac-H"	59.013851
"1506095"	849.520451	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Hac-H"	59.013851
"964893"	857.486751	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+NaCOOH"	66.980151
"118174"	825.476002	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2Cl"	69.938804
"562839"	1220.729302	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2Cl"	69.938804
"1035289"	430.222702	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2Cl"	69.938804
"1255599"	869.425485	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Br"	78.918885
"1311848"	871.481472	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl+HCOOH"	80.974872
"1326065"	893.463429	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl+NaCOOH"	102.956829
"920403"	903.492186	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+CF3COOH"	112.985586
"1301487"	939.468864	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl+CF3COOH"	148.962264
"1377460"	755.493924	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H-2H2O"	-35.012676
"1388397"	773.5039	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H-H2O"	-17.0027
"291364"	1582.020476	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H"	1.007276
"684878"	2372.527076	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H"	1.007276
"1359039"	791.513876	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H"	1.007276
"130833"	791.513876	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2H"	2.014552
"568208"	1186.767176	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2H"	2.014552
"1045753"	396.260576	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2H"	2.014552
"205636"	528.011676	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+3H"	3.021828
"645682"	791.513876	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+3H"	3.021828
"1171346"	264.509476	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+3H"	3.021828
"428057"	1599.047023	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+NH4"	18.033823
"786869"	2389.553623	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+NH4"	18.033823
"1688667"	808.540423	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+NH4"	18.033823
"330384"	800.0271495	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H+NH4"	19.041099
"723898"	1195.2804495	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H+NH4"	19.041099
"1482092"	404.7738495	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+NH4"	19.041099
"396397"	1604.002418	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Na"	22.989218
"763954"	2394.509018	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+Na"	22.989218
"1609866"	813.495818	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na"	22.989218
"320996"	802.504847	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H+Na"	23.996494
"708317"	1197.758147	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H+Na"	23.996494
"1462376"	407.251547	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+Na"	23.996494
"1053923"	271.83679	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2H+Na"	25.00377
"1258517"	823.540086	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+CH3OH+H"	33.033486
"379643"	1619.976358	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+K"	38.963158
"739908"	2410.482958	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+K"	38.963158
"1543795"	829.469758	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K"	38.963158
"300238"	810.491817	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H+K"	39.970434
"699961"	1205.745117	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H+K"	39.970434
"1452684"	415.238517	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+K"	39.970434
"242384"	1623.047026	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+ACN+H"	42.033826
"1217277"	832.540426	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+ACN+H"	42.033826
"1201162"	416.773851	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+ACN+2H"	43.041102
"195126"	1625.98436	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2Na-H"	44.97116
"634685"	2416.49096	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2Na-H"	44.97116
"1137097"	835.47776	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2Na-H"	44.97116
"173941"	813.495818	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2Na"	45.978436
"615207"	1208.749118	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2Na"	45.978436
"1116034"	418.242518	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2Na"	45.978436
"1401507"	279.164104	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+2Na"	46.985712
"1430828"	837.519346	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+HCOOH"	47.012746
"221861"	818.52884	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+3H2O+2H"	56.04448
"1510287"	851.57139	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+IsoProp+H"	61.06479
"412525"	821.482788	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Na+K"	61.952376
"772426"	1216.736088	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+Na+K"	61.952376
"1669120"	426.229488	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na+K"	61.952376
"259285"	1645.028968	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+ACN+Na"	64.015768
"1229440"	854.522368	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+ACN+Na"	64.015768
"1716508"	854.545893	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+NH4+HCOOH"	64.039293
"1182224"	286.491418	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+3Na"	68.967654
"1653574"	859.501288	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na+HCOOH"	68.994688
"162989"	1657.93224	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2K-H"	76.91904
"610218"	2448.43884	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2K-H"	76.91904
"1096917"	867.42564	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2K-H"	76.91904
"155679"	829.469758	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2K"	77.926316
"593294"	1224.723058	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2K"	77.926316
"1076713"	434.216458	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2K"	77.926316
"1108827"	869.440192	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2K+H"	78.933592
"1345219"	869.527807	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+DMSO+H"	79.021207
"1014842"	873.566976	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2ACN+H"	83.060376
"1534062"	874.560608	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+IsoProp+Na+H"	84.054008
"997231"	437.287126	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2ACN+2H"	84.067652
"1596108"	875.475228	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K+HCOOH"	84.968628
"1428329"	905.506738	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+CF3COOH"	115.000138
"1157526"	457.800401	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+3ACN+2H"	125.094202
"1712463"	922.533285	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+NH4+CF3COOH"	132.026685
"1649286"	927.48868	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na+CF3COOH"	136.98208
"1586029"	943.46262	"C04145"	"all-trans-Nonaprenyl diphosphate;Solanesyl pyrophosphate;Solanesyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K+CF3COOH"	152.95602
"813118"	722.444	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M"	0
"977902"	703.42561	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-H2O-H"	-19.01839
"67238"	480.622057333333	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M-3H"	-3.021828
"503879"	721.436724	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M-3H"	-3.021828
"894934"	239.807390666667	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-3H"	-3.021828
"14720"	721.436724	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M-2H"	-2.014552
"452578"	1082.658724	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M-2H"	-2.014552
"828193"	360.214724	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-2H"	-2.014552
"85997"	1443.880724	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M-H"	-1.007276
"522641"	2166.324724	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M-H"	-1.007276
"903365"	721.436724	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-H"	-1.007276
"55553"	1460.907271	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M-2H+NH4"	16.019271
"492923"	2183.351271	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M-2H+NH4"	16.019271
"867446"	738.463271	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-2H+NH4"	16.019271
"37536"	1465.862666	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M-2H+Na"	20.974666
"476002"	2188.306666	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M-2H+Na"	20.974666
"855990"	743.418666	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-2H+Na"	20.974666
"1627712"	743.418666	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Na-2H"	20.974666
"103148"	739.425063	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M-H+Cl"	33.962126
"537239"	1100.647063	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M-H+Cl"	33.962126
"927669"	378.203063	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-H+Cl"	33.962126
"267846"	1479.857402	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+Cl"	34.969402
"670124"	2202.301402	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+Cl"	34.969402
"1288171"	757.413402	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Cl"	34.969402
"31131"	1481.836606	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M-2H+K"	36.948606
"471140"	2204.280606	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M-2H+K"	36.948606
"845727"	759.392606	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-2H+K"	36.948606
"1566298"	759.392606	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+K-2H"	36.948606
"953817"	767.442194	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-H+HCOOH"	44.998194
"374220"	1489.886201	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+HCOOH-H"	44.998201
"356280"	1503.901851	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+Hac-H"	59.013851
"1504018"	781.457851	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Hac-H"	59.013851
"965003"	789.424151	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-H+NaCOOH"	66.980151
"115730"	757.413402	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+2Cl"	69.938804
"558937"	1118.635402	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+2Cl"	69.938804
"1031022"	396.191402	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2Cl"	69.938804
"1251694"	801.362885	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Br"	78.918885
"1309770"	803.418872	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Cl+HCOOH"	80.974872
"1326175"	825.400829	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Cl+NaCOOH"	102.956829
"920513"	835.429586	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M-H+CF3COOH"	112.985586
"1300504"	871.406264	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Cl+CF3COOH"	148.962264
"1377570"	687.431324	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H-2H2O"	-35.012676
"1387414"	705.4413	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H-H2O"	-17.0027
"291474"	1445.895276	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+H"	1.007276
"683895"	2168.339276	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+H"	1.007276
"1359149"	723.451276	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H"	1.007276
"136410"	723.451276	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+2H"	2.014552
"570504"	1084.673276	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+2H"	2.014552
"1045863"	362.229276	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2H"	2.014552
"205504"	482.636609333333	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+3H"	3.021828
"645671"	723.451276	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+3H"	3.021828
"1167080"	241.821942666667	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+3H"	3.021828
"428167"	1462.921823	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+NH4"	18.033823
"787343"	2185.365823	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+NH4"	18.033823
"1688777"	740.477823	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+NH4"	18.033823
"331223"	731.9645495	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+H+NH4"	19.041099
"724737"	1093.1865495	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+H+NH4"	19.041099
"1487669"	370.7425495	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H+NH4"	19.041099
"397600"	1467.877218	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+Na"	22.989218
"764064"	2190.321218	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+Na"	22.989218
"1607789"	745.433218	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Na"	22.989218
"322199"	734.442247	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+H+Na"	23.996494
"708062"	1095.664247	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+H+Na"	23.996494
"1461921"	373.220247	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H+Na"	23.996494
"1054760"	249.149256666667	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2H+Na"	25.00377
"1257171"	755.477486	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+CH3OH+H"	33.033486
"378294"	1483.851158	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+K"	38.963158
"739653"	2206.295158	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+K"	38.963158
"1542812"	761.407158	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+K"	38.963158
"299738"	742.429217	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+H+K"	39.970434
"698970"	1103.651217	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+H+K"	39.970434
"1452796"	381.207217	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H+K"	39.970434
"240305"	1486.921826	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+ACN+H"	42.033826
"1217387"	764.477826	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+ACN+H"	42.033826
"1201272"	382.742551	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+ACN+2H"	43.041102
"194141"	1489.85916	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+2Na-H"	44.97116
"634065"	2212.30316	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+2Na-H"	44.97116
"1137571"	767.41516	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2Na-H"	44.97116
"173568"	745.433218	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+2Na"	45.978436
"615317"	1106.655218	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+2Na"	45.978436
"1116025"	384.211218	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2Na"	45.978436
"1403804"	256.476570666667	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H+2Na"	46.985712
"1433004"	769.456746	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H+HCOOH"	47.012746
"224888"	750.46624	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+3H2O+2H"	56.04448
"1510763"	783.50879	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+IsoProp+H"	61.06479
"410813"	753.420188	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+Na+K"	61.952376
"773995"	1114.642188	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+Na+K"	61.952376
"1668136"	392.198188	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Na+K"	61.952376
"256114"	1508.903768	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+ACN+Na"	64.015768
"1228093"	786.459768	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+ACN+Na"	64.015768
"1715526"	786.483293	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+NH4+HCOOH"	64.039293
"1180877"	263.803884666667	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+3Na"	68.967654
"1653684"	791.438688	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Na+HCOOH"	68.994688
"163461"	1521.80704	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+2K-H"	76.91904
"610328"	2244.25104	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+2K-H"	76.91904
"1099216"	799.36304	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2K-H"	76.91904
"153844"	761.407158	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"2M+2K"	77.926316
"595591"	1122.629158	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"3M+2K"	77.926316
"1074637"	400.185158	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2K"	77.926316
"1112216"	801.377592	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2K+H"	78.933592
"1344234"	801.465207	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+DMSO+H"	79.021207
"1016045"	805.504376	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2ACN+H"	83.060376
"1534172"	806.498008	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+IsoProp+Na+H"	84.054008
"998435"	403.255826	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+2ACN+2H"	84.067652
"1598405"	807.412628	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+K+HCOOH"	84.968628
"1429533"	837.444138	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+H+CF3COOH"	115.000138
"1160916"	423.769101	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+3ACN+2H"	125.094202
"1712660"	854.470685	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+NH4+CF3COOH"	132.026685
"1648303"	859.42608	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+Na+CF3COOH"	136.98208
"1586139"	875.40002	"C04146"	"all-trans-Octaprenyl diphosphate;Farnesylfarnesylgeraniol"	"C40H68O7P2"	"722.444"	"M+K+CF3COOH"	152.95602
"813228"	342.1162	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M"	0
"978012"	323.09781	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"68441"	227.070190666667	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"503177"	341.108924	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"892370"	113.031457333333	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"14951"	341.108924	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"452688"	512.167024	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"822835"	170.050824	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"82827"	683.225124	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"525668"	1025.341324	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"903475"	341.108924	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"55663"	700.251671	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"490849"	1042.367871	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"866463"	358.135471	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"36553"	705.207066	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"476112"	1047.323266	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"853914"	363.090866	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1625636"	363.090866	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"103258"	359.097263	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"539537"	530.155363	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"928676"	188.039163	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"269419"	719.201802	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"669501"	1061.318002	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1287871"	377.085602	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"29818"	721.181006	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"470230"	1063.297206	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"847663"	379.064806	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1570423"	379.064806	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"957940"	387.114394	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"376807"	729.230601	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"357486"	743.246251	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1504496"	401.130051	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"969124"	409.096351	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"119125"	377.085602	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"562695"	548.143702	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1028945"	206.027502	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1254723"	421.035085	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1314982"	423.091072	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1328471"	445.073029	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"920622"	455.101786	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1298426"	491.078464	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1372213"	307.103524	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1388617"	325.1135	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"291584"	685.239676	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"684006"	1027.355876	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1365458"	343.123476	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"134335"	343.123476	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"568792"	514.181576	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1039778"	172.065376	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"210597"	229.084742666667	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"647970"	343.123476	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1171565"	115.046009333333	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"427184"	702.266223	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"787453"	1044.382423	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1688887"	360.150023	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"331333"	351.6367495	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"728492"	522.6948495	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1491059"	180.5786495	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"399897"	707.221618	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"760894"	1049.337818	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1607899"	365.105418	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"321215"	354.114447	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"708898"	525.172547	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1462720"	183.056347	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1055236"	122.373323333333	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1258374"	375.149686	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"379134"	723.195558	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"739765"	1065.311758	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1544015"	381.079358	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"299730"	362.101417	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"699080"	533.159517	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1455092"	191.043317	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"242602"	726.266226	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1216404"	384.150026	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1201382"	192.578651	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"195344"	729.20356	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"631624"	1071.31976	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1131968"	387.08736	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"172958"	365.105418	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"615791"	536.163518	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1116621"	194.047318	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1402456"	129.700637333333	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1430318"	389.128946	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"220743"	370.13844	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1511237"	403.18099	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"410195"	373.092388	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"774106"	544.150488	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1668979"	202.034288	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"255496"	748.248168	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1231121"	406.131968	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1715636"	406.155493	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1182081"	137.027951333333	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1655618"	411.110888	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"163571"	761.15144	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"609346"	1103.26764	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1098232"	419.03524	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"150674"	381.079358	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"586953"	552.137458	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1075840"	210.021258	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1107953"	421.049792	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1339970"	421.137407	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1016157"	425.176576	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1537567"	426.170208	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1001461"	213.091926	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1601068"	427.084828	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1429158"	457.116338	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1159932"	233.605201	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1712647"	474.142885	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1648413"	479.09828	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1586249"	495.07222	"C04147"	"alpha-D-Glucosyl-(13)-D-mannose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"810057"	264.111	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M"	0
"979215"	245.09261	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-H2O-H"	-19.01839
"64295"	175.066724	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M-3H"	-3.021828
"503729"	263.103724	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M-3H"	-3.021828
"894427"	87.029724	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-3H"	-3.021828
"8864"	263.103724	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M-2H"	-2.014552
"449518"	395.159224	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M-2H"	-2.014552
"822945"	131.048224	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-2H"	-2.014552
"82937"	527.214724	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M-H"	-1.007276
"525778"	791.325724	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M-H"	-1.007276
"904678"	263.103724	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-H"	-1.007276
"55773"	544.241271	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M-2H+NH4"	16.019271
"492052"	808.352271	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M-2H+NH4"	16.019271
"865721"	280.130271	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-2H+NH4"	16.019271
"36663"	549.196666	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M-2H+Na"	20.974666
"476222"	813.307666	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M-2H+Na"	20.974666
"852931"	285.085666	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-2H+Na"	20.974666
"1624652"	285.085666	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Na-2H"	20.974666
"104461"	281.092063	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M-H+Cl"	33.962126
"539647"	413.147563	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M-H+Cl"	33.962126
"928786"	149.036563	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-H+Cl"	33.962126
"267822"	563.191402	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+Cl"	34.969402
"664138"	827.302402	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+Cl"	34.969402
"1288270"	299.080402	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Cl"	34.969402
"30539"	565.170606	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M-2H+K"	36.948606
"470220"	829.281606	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M-2H+K"	36.948606
"847166"	301.059606	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-2H+K"	36.948606
"1569685"	301.059606	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+K-2H"	36.948606
"956229"	309.109194	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-H+HCOOH"	44.998194
"375538"	573.220201	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+HCOOH-H"	44.998201
"356501"	587.235851	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+Hac-H"	59.013851
"1504969"	323.124851	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Hac-H"	59.013851
"972031"	331.091151	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-H+NaCOOH"	66.980151
"119599"	299.080402	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+2Cl"	69.938804
"560253"	431.135902	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+2Cl"	69.938804
"1031245"	167.024902	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2Cl"	69.938804
"1255563"	343.029885	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Br"	78.918885
"1317644"	345.085872	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Cl+HCOOH"	80.974872
"1326394"	367.067829	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Cl+NaCOOH"	102.956829
"920731"	377.096586	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M-H+CF3COOH"	112.985586
"1298535"	413.073264	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Cl+CF3COOH"	148.962264
"1377791"	229.098324	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H-2H2O"	-35.012676
"1394195"	247.1083	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H-H2O"	-17.0027
"293882"	529.229276	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+H"	1.007276
"686304"	793.340276	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+H"	1.007276
"1361558"	265.118276	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H"	1.007276
"139914"	265.118276	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+2H"	2.014552
"576194"	397.173776	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+2H"	2.014552
"1040618"	133.062776	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2H"	2.014552
"211803"	177.081276	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+3H"	3.021828
"650268"	265.118276	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+3H"	3.021828
"1174956"	89.044276	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+3H"	3.021828
"434948"	546.255823	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+NH4"	18.033823
"791573"	810.366823	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+NH4"	18.033823
"1690091"	282.144823	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+NH4"	18.033823
"332536"	273.6315495	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+H+NH4"	19.041099
"728603"	405.6870495	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+H+NH4"	19.041099
"1488982"	141.5760495	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H+NH4"	19.041099
"398913"	551.211218	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+Na"	22.989218
"761004"	815.322218	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+Na"	22.989218
"1614569"	287.100218	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Na"	22.989218
"327521"	276.109247	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+H+Na"	23.996494
"709739"	408.164747	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+H+Na"	23.996494
"1464287"	144.053747	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H+Na"	23.996494
"1056075"	96.37159	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2H+Na"	25.00377
"1261401"	297.144486	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+CH3OH+H"	33.033486
"379976"	567.185158	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+K"	38.963158
"740238"	831.296158	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+K"	38.963158
"1544123"	303.074158	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+K"	38.963158
"300325"	284.096217	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+H+K"	39.970434
"695910"	416.151717	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+H+K"	39.970434
"1457024"	152.040717	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H+K"	39.970434
"244896"	570.255826	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+ACN+H"	42.033826
"1215421"	306.144826	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+ACN+H"	42.033826
"1203679"	153.576051	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+ACN+2H"	43.041102
"195456"	573.19316	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+2Na-H"	44.97116
"633923"	837.30416	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+2Na-H"	44.97116
"1137428"	309.08216	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2Na-H"	44.97116
"175612"	287.100218	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+2Na"	45.978436
"616266"	419.155718	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+2Na"	45.978436
"1119771"	155.044718	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2Na"	45.978436
"1402931"	103.698904	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H+2Na"	46.985712
"1433224"	311.123746	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H+HCOOH"	47.012746
"220732"	292.13324	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+3H2O+2H"	56.04448
"1511348"	325.17579	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+IsoProp+H"	61.06479
"413587"	295.087188	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+Na+K"	61.952376
"776404"	427.142688	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+Na+K"	61.952376
"1667996"	163.031688	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Na+K"	61.952376
"255970"	592.237768	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+ACN+Na"	64.015768
"1229772"	328.126768	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+ACN+Na"	64.015768
"1715377"	328.150293	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+NH4+HCOOH"	64.039293
"1181827"	111.026218	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+3Na"	68.967654
"1654999"	333.105688	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Na+HCOOH"	68.994688
"162588"	605.14104	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+2K-H"	76.91904
"609823"	869.25204	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+2K-H"	76.91904
"1090686"	341.03004	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2K-H"	76.91904
"151877"	303.074158	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"2M+2K"	77.926316
"589250"	435.129658	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"3M+2K"	77.926316
"1075950"	171.018658	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2K"	77.926316
"1106970"	343.044592	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2K+H"	78.933592
"1341173"	343.132207	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+DMSO+H"	79.021207
"1016631"	347.171376	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2ACN+H"	83.060376
"1537679"	348.165008	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+IsoProp+Na+H"	84.054008
"1004126"	174.089326	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+2ACN+2H"	84.067652
"1602034"	349.079628	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+K+HCOOH"	84.968628
"1429714"	379.111138	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+H+CF3COOH"	115.000138
"1162666"	194.602601	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+3ACN+2H"	125.094202
"1712145"	396.137685	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+NH4+CF3COOH"	132.026685
"1649616"	401.09308	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+Na+CF3COOH"	136.98208
"1586359"	417.06702	"C04148"	"Phenylacetylglutamine;alpha-N-Phenylacetyl-L-glutamine;N2-(2-Phenylacetyl)-L-glutamine"	"C13H16N2O4"	"264.111"	"M+K+CF3COOH"	152.95602
"815636"	940.6557	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M"	0
"977504"	921.63731	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-H2O-H"	-19.01839
"65381"	626.096524	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M-3H"	-3.021828
"518071"	939.648424	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M-3H"	-3.021828
"892591"	312.544624	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-3H"	-3.021828
"15536"	939.648424	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M-2H"	-2.014552
"452909"	1409.976274	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M-2H"	-2.014552
"826339"	469.320574	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-2H"	-2.014552
"86330"	1880.304124	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M-H"	-1.007276
"522615"	2820.959824	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M-H"	-1.007276
"904790"	939.648424	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-H"	-1.007276
"58071"	1897.330671	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M-2H+NH4"	16.019271
"494350"	2837.986371	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M-2H+NH4"	16.019271
"872153"	956.674971	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-2H+NH4"	16.019271
"40054"	1902.286066	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M-2H+Na"	20.974666
"483988"	2842.941766	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M-2H+Na"	20.974666
"856323"	961.630366	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-2H+Na"	20.974666
"1624761"	961.630366	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Na-2H"	20.974666
"102383"	957.636763	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M-H+Cl"	33.962126
"538662"	1427.964613	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M-H+Cl"	33.962126
"927506"	487.308913	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-H+Cl"	33.962126
"278391"	1916.280802	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+Cl"	34.969402
"673991"	2856.936502	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+Cl"	34.969402
"1287485"	975.625102	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Cl"	34.969402
"30650"	1918.260006	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M-2H+K"	36.948606
"470814"	2858.915706	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M-2H+K"	36.948606
"847764"	977.604306	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-2H+K"	36.948606
"1570277"	977.604306	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+K-2H"	36.948606
"956339"	985.653894	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-H+HCOOH"	44.998194
"376013"	1926.309601	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+HCOOH-H"	44.998201
"357706"	1940.325251	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+Hac-H"	59.013851
"1502898"	999.669551	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Hac-H"	59.013851
"966429"	1007.635851	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-H+NaCOOH"	66.980151
"120805"	975.625102	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+2Cl"	69.938804
"559274"	1445.952952	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+2Cl"	69.938804
"1034268"	505.297252	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2Cl"	69.938804
"1250932"	1019.574585	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Br"	78.918885
"1311192"	1021.630572	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Cl+HCOOH"	80.974872
"1327597"	1043.612529	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Cl+NaCOOH"	102.956829
"919747"	1053.641286	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M-H+CF3COOH"	112.985586
"1298644"	1089.617964	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Cl+CF3COOH"	148.962264
"1370977"	905.643024	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H-2H2O"	-35.012676
"1391027"	923.653	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H-H2O"	-17.0027
"292900"	1882.318676	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+H"	1.007276
"684228"	2822.974376	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+H"	1.007276
"1363857"	941.662976	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H"	1.007276
"137839"	941.662976	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+2H"	2.014552
"571931"	1411.990826	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+2H"	2.014552
"1047293"	471.335126	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2H"	2.014552
"211912"	628.111076	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+3H"	3.021828
"653660"	941.662976	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+3H"	3.021828
"1172880"	314.559176	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+3H"	3.021828
"429231"	1899.345223	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+NH4"	18.033823
"789131"	2840.000923	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+NH4"	18.033823
"1681935"	958.689523	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+NH4"	18.033823
"331916"	950.1762495	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+H+NH4"	19.041099
"727620"	1420.5040995	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+H+NH4"	19.041099
"1479252"	479.8483995	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H+NH4"	19.041099
"402306"	1904.300618	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+Na"	22.989218
"758927"	2844.956318	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+Na"	22.989218
"1613587"	963.644918	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Na"	22.989218
"315977"	952.653947	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+H+Na"	23.996494
"708875"	1422.981797	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+H+Na"	23.996494
"1464396"	482.326097	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H+Na"	23.996494
"1055091"	321.88649	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2H+Na"	25.00377
"1258592"	973.689186	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+CH3OH+H"	33.033486
"378627"	1920.274558	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+K"	38.963158
"745466"	2860.930258	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+K"	38.963158
"1545328"	979.618858	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+K"	38.963158
"307974"	960.640917	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+H+K"	39.970434
"699306"	1430.968767	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+H+K"	39.970434
"1452034"	490.313067	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H+K"	39.970434
"245011"	1923.345226	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+ACN+H"	42.033826
"1219906"	982.689526	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+ACN+H"	42.033826
"1206342"	491.848401	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+ACN+2H"	43.041102
"193380"	1926.28256	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+2Na-H"	44.97116
"634393"	2866.93826	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+2Na-H"	44.97116
"1135712"	985.62686	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2Na-H"	44.97116
"176086"	963.644918	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+2Na"	45.978436
"614308"	1433.972768	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+2Na"	45.978436
"1117693"	493.317068	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2Na"	45.978436
"1401219"	329.213804	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H+2Na"	46.985712
"1435159"	987.668446	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H+HCOOH"	47.012746
"223396"	968.67794	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+3H2O+2H"	56.04448
"1519480"	1001.72049	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+IsoProp+H"	61.06479
"416979"	971.631888	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+Na+K"	61.952376
"776878"	1441.959738	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+Na+K"	61.952376
"1668834"	501.304038	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Na+K"	61.952376
"252436"	1945.327168	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+ACN+Na"	64.015768
"1228789"	1004.671468	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+ACN+Na"	64.015768
"1717313"	1004.694993	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+NH4+HCOOH"	64.039293
"1180845"	336.541118	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+3Na"	68.967654
"1655109"	1009.650388	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Na+HCOOH"	68.994688
"167819"	1958.23044	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+2K-H"	76.91904
"609934"	2898.88614	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+2K-H"	76.91904
"1095171"	1017.57474	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2K-H"	76.91904
"148706"	979.618858	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"2M+2K"	77.926316
"590455"	1449.946708	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"3M+2K"	77.926316
"1077153"	509.291008	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2K"	77.926316
"1110004"	1019.589292	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2K+H"	78.933592
"1348213"	1019.676907	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+DMSO+H"	79.021207
"1018932"	1023.716076	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2ACN+H"	83.060376
"1534504"	1024.709708	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+IsoProp+Na+H"	84.054008
"1003142"	512.361676	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+2ACN+2H"	84.067652
"1599103"	1025.624328	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+K+HCOOH"	84.968628
"1426583"	1055.655838	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+H+CF3COOH"	115.000138
"1161611"	532.874951	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+3ACN+2H"	125.094202
"1711891"	1072.682385	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+NH4+CF3COOH"	132.026685
"1649689"	1077.63778	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+Na+CF3COOH"	136.98208
"1577723"	1093.61172	"C04150"	"beta-D-Mannosylphosphodecaprenol"	"C56H93O9P"	"940.6557"	"M+K+CF3COOH"	152.95602
"810288"	310.1053	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M"	0
"975557"	291.08691	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-H2O-H"	-19.01839
"73158"	205.729590666667	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M-3H"	-3.021828
"507251"	309.098024	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M-3H"	-3.021828
"888333"	102.361157333333	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-3H"	-3.021828
"2533"	309.098024	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M-2H"	-2.014552
"444279"	464.150674	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M-2H"	-2.014552
"818800"	154.045374	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-2H"	-2.014552
"80980"	619.203324	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M-H"	-1.007276
"521633"	929.308624	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M-H"	-1.007276
"896638"	309.098024	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-H"	-1.007276
"61107"	636.229871	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M-2H+NH4"	16.019271
"498846"	946.335171	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M-2H+NH4"	16.019271
"879454"	326.124571	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-2H+NH4"	16.019271
"46340"	641.185266	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M-2H+Na"	20.974666
"486313"	951.290566	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M-2H+Na"	20.974666
"863749"	331.079966	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-2H+Na"	20.974666
"1633274"	331.079966	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Na-2H"	20.974666
"106158"	327.086363	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M-H+Cl"	33.962126
"549490"	482.139013	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M-H+Cl"	33.962126
"941542"	172.033713	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-H+Cl"	33.962126
"276328"	655.180002	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+Cl"	34.969402
"670942"	965.285302	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+Cl"	34.969402
"1277878"	345.074702	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Cl"	34.969402
"26997"	657.159206	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M-2H+K"	36.948606
"470208"	967.264506	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M-2H+K"	36.948606
"847284"	347.053906	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-2H+K"	36.948606
"1568583"	347.053906	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+K-2H"	36.948606
"957362"	355.103494	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-H+HCOOH"	44.998194
"376465"	665.208801	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+HCOOH-H"	44.998201
"358570"	679.224451	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+Hac-H"	59.013851
"1507403"	369.119151	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Hac-H"	59.013851
"973245"	377.085451	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-H+NaCOOH"	66.980151
"122752"	345.074702	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+2Cl"	69.938804
"555021"	500.127352	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+2Cl"	69.938804
"1024182"	190.022052	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2Cl"	69.938804
"1244490"	389.024185	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Br"	78.918885
"1308032"	391.080172	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Cl+HCOOH"	80.974872
"1322247"	413.062129	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Cl+NaCOOH"	102.956829
"915129"	423.090886	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M-H+CF3COOH"	112.985586
"1295487"	459.067564	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Cl+CF3COOH"	148.962264
"1379484"	275.092624	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H-2H2O"	-35.012676
"1395894"	293.1026	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H-H2O"	-17.0027
"294852"	621.217876	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+H"	1.007276
"679980"	931.323176	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+H"	1.007276
"1359609"	311.112576	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H"	1.007276
"131404"	311.112576	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+2H"	2.014552
"576432"	466.165226	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+2H"	2.014552
"1046323"	156.059926	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2H"	2.014552
"207663"	207.744142666667	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+3H"	3.021828
"655975"	311.112576	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+3H"	3.021828
"1171913"	104.375709333333	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+3H"	3.021828
"438111"	638.244423	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+NH4"	18.033823
"800561"	948.349723	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+NH4"	18.033823
"1696922"	328.139123	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+NH4"	18.033823
"344447"	319.6258495	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+H+NH4"	19.041099
"733219"	474.6784995	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+H+NH4"	19.041099
"1491776"	164.5731995	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H+NH4"	19.041099
"407185"	643.199818	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+Na"	22.989218
"768909"	953.305118	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+Na"	22.989218
"1615552"	333.094518	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Na"	22.989218
"324861"	322.103547	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+H+Na"	23.996494
"720318"	477.156197	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+H+Na"	23.996494
"1474381"	167.050897	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H+Na"	23.996494
"1067263"	111.703023333333	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2H+Na"	25.00377
"1270396"	343.138786	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+CH3OH+H"	33.033486
"388970"	659.173758	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+K"	38.963158
"753451"	969.279058	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+K"	38.963158
"1555307"	349.068458	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+K"	38.963158
"309921"	330.090517	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+H+K"	39.970434
"702341"	485.143167	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+H+K"	39.970434
"1449962"	175.037867	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H+K"	39.970434
"239655"	662.244426	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+ACN+H"	42.033826
"1211998"	352.139126	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+ACN+H"	42.033826
"1196975"	176.573201	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+ACN+2H"	43.041102
"192031"	665.18176	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+2Na-H"	44.97116
"631226"	975.28706	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+2Na-H"	44.97116
"1135097"	355.07646	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2Na-H"	44.97116
"176932"	333.094518	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+2Na"	45.978436
"616492"	488.147168	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+2Na"	45.978436
"1125106"	178.041868	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2Na"	45.978436
"1402797"	119.030337333333	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H+2Na"	46.985712
"1440748"	357.118046	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H+HCOOH"	47.012746
"231541"	338.12754	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+3H2O+2H"	56.04448
"1523866"	371.17009	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+IsoProp+H"	61.06479
"423310"	341.081488	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+Na+K"	61.952376
"785280"	496.134138	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+Na+K"	61.952376
"1680273"	186.028838	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Na+K"	61.952376
"265335"	684.226368	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+ACN+Na"	64.015768
"1239499"	374.121068	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+ACN+Na"	64.015768
"1722189"	374.144593	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+NH4+HCOOH"	64.039293
"1192281"	126.357651333333	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+3Na"	68.967654
"1662173"	379.099988	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Na+HCOOH"	68.994688
"162474"	697.12964	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+2K-H"	76.91904
"607503"	1007.23494	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+2K-H"	76.91904
"1091650"	387.02434	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2K-H"	76.91904
"149195"	349.068458	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"2M+2K"	77.926316
"593495"	504.121108	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"3M+2K"	77.926316
"1079101"	194.015808	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2K"	77.926316
"1106114"	389.038892	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2K+H"	78.933592
"1345780"	389.126507	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+DMSO+H"	79.021207
"1012123"	393.165676	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2ACN+H"	83.060376
"1528062"	394.159308	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+IsoProp+Na+H"	84.054008
"990740"	197.086476	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+2ACN+2H"	84.067652
"1594481"	395.073928	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+K+HCOOH"	84.968628
"1424515"	425.105438	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+H+CF3COOH"	115.000138
"1162095"	217.599751	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+3ACN+2H"	125.094202
"1711889"	442.131985	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+NH4+CF3COOH"	132.026685
"1644379"	447.08738	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+Na+CF3COOH"	136.98208
"1576749"	463.06132	"C04164"	"trans-Cinnamoyl beta-D-glucoside;1-O-trans-Cinnamoyl-beta-D-glucopyranose"	"C15H18O7"	"310.1053"	"M+K+CF3COOH"	152.95602
"810398"	318.2042	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M"	0
"976276"	299.18581	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H2O-H"	-19.01839
"73268"	211.128857333333	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-3H"	-3.021828
"507361"	317.196924	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-3H"	-3.021828
"888443"	105.060790666667	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-3H"	-3.021828
"1550"	317.196924	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H"	-2.014552
"442201"	476.299024	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H"	-2.014552
"817610"	158.094824	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H"	-2.014552
"81818"	635.401124	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-H"	-1.007276
"521013"	953.605324	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-H"	-1.007276
"896504"	317.196924	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H"	-1.007276
"59394"	652.427671	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H+NH4"	16.019271
"498956"	970.631871	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H+NH4"	16.019271
"879560"	334.223471	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H+NH4"	16.019271
"46691"	657.383066	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H+Na"	20.974666
"487060"	975.587266	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H+Na"	20.974666
"864196"	339.178866	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H+Na"	20.974666
"1631197"	339.178866	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na-2H"	20.974666
"104810"	335.185263	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-H+Cl"	33.962126
"548502"	494.287363	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-H+Cl"	33.962126
"940071"	176.083163	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+Cl"	33.962126
"270971"	671.377802	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Cl"	34.969402
"666679"	989.582002	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+Cl"	34.969402
"1277988"	353.173602	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl"	34.969402
"21639"	673.357006	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M-2H+K"	36.948606
"469954"	991.561206	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M-2H+K"	36.948606
"847395"	355.152806	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-2H+K"	36.948606
"1570151"	355.152806	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K-2H"	36.948606
"957671"	363.202394	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+HCOOH"	44.998194
"376958"	681.406601	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+HCOOH-H"	44.998201
"360137"	695.422251	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Hac-H"	59.013851
"1508120"	377.218051	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Hac-H"	59.013851
"973840"	385.184351	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+NaCOOH"	66.980151
"123955"	353.173602	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2Cl"	69.938804
"556224"	512.275702	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2Cl"	69.938804
"1023928"	194.071502	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2Cl"	69.938804
"1242169"	397.123085	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Br"	78.918885
"1304980"	399.179072	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl+HCOOH"	80.974872
"1320900"	421.161029	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl+NaCOOH"	102.956829
"913780"	431.189786	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M-H+CF3COOH"	112.985586
"1296690"	467.166464	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Cl+CF3COOH"	148.962264
"1379229"	283.191524	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H-2H2O"	-35.012676
"1395268"	301.2015	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H-H2O"	-17.0027
"290944"	637.415676	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H"	1.007276
"680090"	955.619876	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H"	1.007276
"1358626"	319.211476	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H"	1.007276
"132607"	319.211476	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2H"	2.014552
"575814"	478.313576	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2H"	2.014552
"1046433"	160.109376	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2H"	2.014552
"207773"	213.143409333333	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+3H"	3.021828
"655721"	319.211476	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+3H"	3.021828
"1171659"	107.075342666667	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+3H"	3.021828
"437856"	654.442223	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+NH4"	18.033823
"799217"	972.646423	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+NH4"	18.033823
"1695180"	336.238023	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+NH4"	18.033823
"343462"	327.7247495	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H+NH4"	19.041099
"734058"	486.8268495	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H+NH4"	19.041099
"1491523"	168.6226495	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+NH4"	19.041099
"406566"	659.397618	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Na"	22.989218
"768288"	977.601818	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+Na"	22.989218
"1617121"	341.193418	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na"	22.989218
"324971"	330.202447	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H+Na"	23.996494
"720670"	489.304547	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H+Na"	23.996494
"1473398"	171.100347	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+Na"	23.996494
"1067372"	114.402656666667	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2H+Na"	25.00377
"1272458"	351.237686	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+CH3OH+H"	33.033486
"387987"	675.371558	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+K"	38.963158
"751899"	993.575758	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+K"	38.963158
"1555493"	357.167358	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K"	38.963158
"310395"	338.189417	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+H+K"	39.970434
"700628"	497.291517	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+H+K"	39.970434
"1449343"	179.087317	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+K"	39.970434
"239765"	678.442226	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+ACN+H"	42.033826
"1211745"	360.238026	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+ACN+H"	42.033826
"1197084"	180.622651	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+ACN+2H"	43.041102
"193601"	681.37956	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2Na-H"	44.97116
"632429"	999.58376	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2Na-H"	44.97116
"1135938"	363.17536	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2Na-H"	44.97116
"177043"	341.193418	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2Na"	45.978436
"615874"	500.295518	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2Na"	45.978436
"1125216"	182.091318	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2Na"	45.978436
"1402907"	121.729970666667	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+2Na"	46.985712
"1441951"	365.216946	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+HCOOH"	47.012746
"228371"	346.22644	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+3H2O+2H"	56.04448
"1522272"	379.26899	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+IsoProp+H"	61.06479
"423055"	349.180388	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+Na+K"	61.952376
"783685"	508.282488	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+Na+K"	61.952376
"1678198"	190.078288	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na+K"	61.952376
"263985"	700.424168	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+ACN+Na"	64.015768
"1238876"	382.219968	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+ACN+Na"	64.015768
"1722663"	382.243493	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+NH4+HCOOH"	64.039293
"1191660"	129.057284666667	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+3Na"	68.967654
"1663011"	387.198888	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na+HCOOH"	68.994688
"170604"	713.32744	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2K-H"	76.91904
"604333"	1031.53164	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2K-H"	76.91904
"1092124"	395.12324	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2K-H"	76.91904
"146753"	357.167358	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"2M+2K"	77.926316
"590689"	516.269458	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"3M+2K"	77.926316
"1079575"	198.065258	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2K"	77.926316
"1108411"	397.137792	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2K+H"	78.933592
"1348077"	397.225407	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+DMSO+H"	79.021207
"1014420"	401.264576	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2ACN+H"	83.060376
"1528172"	402.258208	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+IsoProp+Na+H"	84.054008
"990200"	201.135926	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+2ACN+2H"	84.067652
"1597871"	403.172828	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K+HCOOH"	84.968628
"1425718"	433.204338	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+H+CF3COOH"	115.000138
"1161112"	221.649201	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+3ACN+2H"	125.094202
"1711391"	450.230885	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+NH4+CF3COOH"	132.026685
"1644489"	455.18628	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+Na+CF3COOH"	136.98208
"1576859"	471.16022	"C04165"	"()-Neomenthyl O-beta-D-glucoside"	"C16H30O6"	"318.2042"	"M+K+CF3COOH"	152.95602
"810508"	224.1412	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M"	0
"976386"	205.12281	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-H2O-H"	-19.01839
"73378"	148.420190666667	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M-3H"	-3.021828
"507471"	223.133924	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M-3H"	-3.021828
"888553"	73.7064573333333	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-3H"	-3.021828
"930"	223.133924	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M-2H"	-2.014552
"442312"	335.204524	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M-2H"	-2.014552
"819382"	111.063324	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-2H"	-2.014552
"80104"	447.275124	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M-H"	-1.007276
"521122"	671.416324	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M-H"	-1.007276
"896737"	223.133924	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-H"	-1.007276
"57316"	464.301671	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M-2H+NH4"	16.019271
"500888"	688.442871	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M-2H+NH4"	16.019271
"879184"	240.160471	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-2H+NH4"	16.019271
"45992"	469.257066	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M-2H+Na"	20.974666
"487019"	693.398266	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M-2H+Na"	20.974666
"863598"	245.115866	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-2H+Na"	20.974666
"1631671"	245.115866	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Na-2H"	20.974666
"107836"	241.122263	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M-H+Cl"	33.962126
"548855"	353.192863	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M-H+Cl"	33.962126
"937995"	129.051663	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-H+Cl"	33.962126
"275455"	483.251802	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+Cl"	34.969402
"667882"	707.393002	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+Cl"	34.969402
"1278098"	259.110602	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Cl"	34.969402
"28310"	485.231006	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M-2H+K"	36.948606
"466786"	709.372206	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M-2H+K"	36.948606
"847139"	261.089806	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-2H+K"	36.948606
"1569532"	261.089806	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+K-2H"	36.948606
"955959"	269.139394	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-H+HCOOH"	44.998194
"376729"	493.280601	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+HCOOH-H"	44.998201
"360611"	507.296251	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+Hac-H"	59.013851
"1508071"	283.155051	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Hac-H"	59.013851
"973823"	291.121351	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-H+NaCOOH"	66.980151
"122243"	259.110602	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+2Cl"	69.938804
"557427"	371.181202	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+2Cl"	69.938804
"1026226"	147.040002	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2Cl"	69.938804
"1242887"	303.060085	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Br"	78.918885
"1304970"	305.116072	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Cl+HCOOH"	80.974872
"1322468"	327.098029	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Cl+NaCOOH"	102.956829
"914254"	337.126786	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M-H+CF3COOH"	112.985586
"1295706"	373.103464	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Cl+CF3COOH"	148.962264
"1381891"	189.128524	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H-2H2O"	-35.012676
"1396472"	207.1385	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H-H2O"	-17.0027
"292147"	449.289676	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+H"	1.007276
"680200"	673.430876	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+H"	1.007276
"1360922"	225.148476	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H"	1.007276
"134904"	225.148476	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+2H"	2.014552
"574465"	337.219076	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+2H"	2.014552
"1043263"	113.077876	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2H"	2.014552
"210070"	150.434742666667	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+3H"	3.021828
"654008"	225.148476	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+3H"	3.021828
"1170675"	75.7210093333333	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+3H"	3.021828
"437966"	466.316223	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+NH4"	18.033823
"800057"	690.457423	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+NH4"	18.033823
"1695657"	242.175023	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+NH4"	18.033823
"343936"	233.6617495	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+H+NH4"	19.041099
"735627"	345.7323495	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+H+NH4"	19.041099
"1491269"	121.5911495	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H+NH4"	19.041099
"408335"	471.271618	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+Na"	22.989218
"769819"	695.412818	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+Na"	22.989218
"1617593"	247.130418	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Na"	22.989218
"329903"	236.139447	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+H+Na"	23.996494
"721509"	348.210047	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+H+Na"	23.996494
"1476912"	124.068847	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H+Na"	23.996494
"1067847"	83.0483233333333	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2H+Na"	25.00377
"1272579"	257.174686	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+CH3OH+H"	33.033486
"389191"	487.245558	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+K"	38.963158
"753103"	711.386758	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+K"	38.963158
"1555358"	263.104358	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+K"	38.963158
"311237"	244.126417	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+H+K"	39.970434
"702925"	356.197017	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+H+K"	39.970434
"1450182"	132.055817	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H+K"	39.970434
"237688"	490.316226	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+ACN+H"	42.033826
"1212584"	266.175026	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+ACN+H"	42.033826
"1197923"	133.591151	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+ACN+2H"	43.041102
"192981"	493.25356	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+2Na-H"	44.97116
"632904"	717.39476	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+2Na-H"	44.97116
"1135682"	269.11236	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2Na-H"	44.97116
"176788"	247.130418	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+2Na"	45.978436
"614893"	359.201018	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+2Na"	45.978436
"1125326"	135.059818	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2Na"	45.978436
"1404110"	90.3756373333333	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H+2Na"	46.985712
"1440968"	271.153946	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H+HCOOH"	47.012746
"231764"	252.16344	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+3H2O+2H"	56.04448
"1522749"	285.20599	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+IsoProp+H"	61.06479
"422434"	255.117388	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+Na+K"	61.952376
"782698"	367.187988	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+Na+K"	61.952376
"1676839"	143.046788	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Na+K"	61.952376
"264460"	512.298168	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+ACN+Na"	64.015768
"1238986"	288.156968	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+ACN+Na"	64.015768
"1724959"	288.180493	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+NH4+HCOOH"	64.039293
"1192499"	97.7029513333333	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+3Na"	68.967654
"1663851"	293.135888	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Na+HCOOH"	68.994688
"171444"	525.20144	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+2K-H"	76.91904
"607723"	749.34264	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+2K-H"	76.91904
"1094421"	301.06024	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2K-H"	76.91904
"150143"	263.104358	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"2M+2K"	77.926316
"592986"	375.174958	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"3M+2K"	77.926316
"1079685"	151.033758	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2K"	77.926316
"1108521"	303.074792	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2K+H"	78.933592
"1350252"	303.162407	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+DMSO+H"	79.021207
"1014530"	307.201576	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2ACN+H"	83.060376
"1528282"	308.195208	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+IsoProp+Na+H"	84.054008
"991811"	154.104426	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+2ACN+2H"	84.067652
"1597981"	309.109828	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+K+HCOOH"	84.968628
"1425828"	339.141338	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+H+CF3COOH"	115.000138
"1161222"	174.617701	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+3ACN+2H"	125.094202
"1711868"	356.167885	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+NH4+CF3COOH"	132.026685
"1645692"	361.12328	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+Na+CF3COOH"	136.98208
"1576969"	377.09722	"C04166"	"(-)-6-Hydroxy-3-oxo-alpha-ionol;Vomifoliol"	"C13H20O3"	"224.1412"	"M+K+CF3COOH"	152.95602
"810618"	186.0681	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M"	0
"976860"	167.04971	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"73488"	123.038124	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"505392"	185.060824	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"888663"	61.015424	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"1040"	185.060824	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"443516"	278.094874	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"819493"	92.026774	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"81673"	371.128924	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"523056"	557.197024	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"897212"	185.060824	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"57426"	388.155471	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"501367"	574.223571	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"879459"	202.087371	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"46549"	393.110866	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"486157"	579.178966	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"863592"	207.042766	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1632877"	207.042766	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"108677"	203.049163	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"542405"	296.083213	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"940658"	110.015113	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"277752"	407.105602	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"667992"	593.173702	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1278208"	221.037502	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"16749"	409.084806	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"470824"	595.152906	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"848374"	223.016706	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1570413"	223.016706	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"958467"	231.066294	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"376909"	417.134401	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"361086"	431.150051	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1507606"	245.081951	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"974184"	253.048251	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"123082"	221.037502	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"556444"	314.071552	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1028523"	128.003452	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1242265"	264.986985	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1305806"	267.042972	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1321849"	289.024929	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"913635"	299.053686	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1296909"	335.030364	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1382001"	151.055424	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1395488"	169.0654	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"290071"	373.143476	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"682496"	559.211576	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1361032"	187.075376	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"133920"	187.075376	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"575668"	280.109426	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1043373"	94.041326	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"212366"	125.052676	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"651931"	187.075376	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1168962"	63.029976	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"438320"	390.170023	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"799071"	576.238123	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1695403"	204.101923	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"343685"	195.5886495	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"736102"	288.6226995	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1491986"	102.5545995	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"407150"	395.125418	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"767416"	581.193518	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1616610"	209.057318	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"328347"	198.066347	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"721620"	291.100397	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1476168"	105.032297	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1065769"	70.35729	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1270363"	219.101586	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"388208"	411.099358	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"752485"	597.167458	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1553806"	225.031258	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"309889"	206.053317	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"698662"	299.087367	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1450293"	113.019267	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"238162"	414.170026	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1210992"	228.101926	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1195480"	114.554601	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"193821"	417.10736	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"634475"	603.17546	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1135795"	231.03926	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"179085"	209.057318	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"617190"	302.091368	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1124343"	116.023268	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1403856"	77.684604	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1435973"	233.080846	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"231872"	214.09034	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1521762"	247.13289	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"421082"	217.044288	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"782808"	310.078338	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1676220"	124.010238	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"264203"	436.151968	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1236909"	250.083868	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1726041"	250.107393	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1188235"	85.011918	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1663110"	255.062788	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"170459"	449.05524	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"606739"	635.12334	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1092344"	262.98714	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"152440"	225.031258	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"595283"	318.065308	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1075420"	131.997208	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1110817"	265.001692	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1343921"	265.089307	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1014640"	269.128476	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1531672"	270.122108	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"991921"	135.067876	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1598091"	271.036728	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1423751"	301.068238	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1161940"	155.581151	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1706871"	318.094785	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1649451"	323.05018	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1577079"	339.02412	"C04167"	"(-)-trans-Acenaphthene-12-diol"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"810728"	346.2256	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M"	0
"976606"	327.20721	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-H2O-H"	-19.01839
"70318"	229.809790666667	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M-3H"	-3.021828
"503193"	345.218324	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M-3H"	-3.021828
"888773"	114.401257333333	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-3H"	-3.021828
"1878"	345.218324	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M-2H"	-2.014552
"443626"	518.331124	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M-2H"	-2.014552
"819359"	172.105524	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-2H"	-2.014552
"81782"	691.443924	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M-H"	-1.007276
"521462"	1037.669524	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M-H"	-1.007276
"897199"	345.218324	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-H"	-1.007276
"57536"	708.470471	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M-2H+NH4"	16.019271
"501963"	1054.696071	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M-2H+NH4"	16.019271
"878428"	362.244871	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-2H+NH4"	16.019271
"46297"	713.425866	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M-2H+Na"	20.974666
"483829"	1059.651466	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M-2H+Na"	20.974666
"860901"	367.200266	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-2H+Na"	20.974666
"1630798"	367.200266	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Na-2H"	20.974666
"105140"	363.206663	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M-H+Cl"	33.962126
"540327"	536.319463	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M-H+Cl"	33.962126
"933841"	190.093863	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-H+Cl"	33.962126
"270208"	727.420602	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+Cl"	34.969402
"668102"	1073.646202	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+Cl"	34.969402
"1275038"	381.195002	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Cl"	34.969402
"16169"	729.399806	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M-2H+K"	36.948606
"470044"	1075.625406	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M-2H+K"	36.948606
"845897"	383.174206	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-2H+K"	36.948606
"1568657"	383.174206	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+K-2H"	36.948606
"957802"	391.223794	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-H+HCOOH"	44.998194
"376580"	737.449401	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+HCOOH-H"	44.998201
"361074"	751.465051	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+Hac-H"	59.013851
"1506744"	405.239451	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Hac-H"	59.013851
"974005"	413.205751	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-H+NaCOOH"	66.980151
"120276"	381.195002	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+2Cl"	69.938804
"553274"	554.307802	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+2Cl"	69.938804
"1025353"	208.082202	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2Cl"	69.938804
"1242376"	425.144485	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Br"	78.918885
"1305918"	427.200472	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Cl+HCOOH"	80.974872
"1320985"	449.182429	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Cl+NaCOOH"	102.956829
"912163"	459.211186	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M-H+CF3COOH"	112.985586
"1295926"	495.187864	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Cl+CF3COOH"	148.962264
"1382113"	311.212924	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H-2H2O"	-35.012676
"1395962"	329.2229	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H-H2O"	-17.0027
"291274"	693.458476	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+H"	1.007276
"682606"	1039.684076	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+H"	1.007276
"1360049"	347.232876	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H"	1.007276
"132937"	347.232876	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+2H"	2.014552
"575778"	520.345676	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+2H"	2.014552
"1043483"	174.120076	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2H"	2.014552
"211383"	231.824342666667	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+3H"	3.021828
"652041"	347.232876	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+3H"	3.021828
"1170165"	116.415809333333	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+3H"	3.021828
"437822"	710.485023	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+NH4"	18.033823
"799181"	1056.710623	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+NH4"	18.033823
"1695878"	364.259423	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+NH4"	18.033823
"344282"	355.7461495	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+H+NH4"	19.041099
"736212"	528.8589495	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+H+NH4"	19.041099
"1491488"	182.6333495	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H+NH4"	19.041099
"406895"	715.440418	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+Na"	22.989218
"767526"	1061.666018	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+Na"	22.989218
"1616356"	369.214818	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Na"	22.989218
"327364"	358.223847	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+H+Na"	23.996494
"718814"	531.336647	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+H+Na"	23.996494
"1473363"	185.111047	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H+Na"	23.996494
"1065395"	123.743123333333	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2H+Na"	25.00377
"1270108"	379.259086	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+CH3OH+H"	33.033486
"389777"	731.414358	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+K"	38.963158
"752594"	1077.639958	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+K"	38.963158
"1553188"	385.188758	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+K"	38.963158
"307445"	366.210817	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+H+K"	39.970434
"697679"	539.323617	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+H+K"	39.970434
"1449310"	193.098017	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H+K"	39.970434
"240458"	734.485026	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+ACN+H"	42.033826
"1212437"	388.259426	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+ACN+H"	42.033826
"1195345"	194.633351	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+ACN+2H"	43.041102
"194296"	737.42236	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+2Na-H"	44.97116
"635679"	1083.64796	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+2Na-H"	44.97116
"1135906"	391.19676	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2Na-H"	44.97116
"180289"	369.214818	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+2Na"	45.978436
"617300"	542.327618	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+2Na"	45.978436
"1123359"	196.102018	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2Na"	45.978436
"1404330"	131.070437333333	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H+2Na"	46.985712
"1434259"	393.238346	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H+HCOOH"	47.012746
"224324"	374.24784	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+3H2O+2H"	56.04448
"1520774"	407.29039	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+IsoProp+H"	61.06479
"416450"	377.201788	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+Na+K"	61.952376
"779632"	550.314588	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+Na+K"	61.952376
"1670495"	204.088988	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Na+K"	61.952376
"258109"	756.466968	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+ACN+Na"	64.015768
"1234100"	410.241368	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+ACN+Na"	64.015768
"1723719"	410.264893	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+NH4+HCOOH"	64.039293
"1183971"	138.397751333333	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+3Na"	68.967654
"1658237"	415.220288	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Na+HCOOH"	68.994688
"164008"	769.37024	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+2K-H"	76.91904
"602474"	1115.59584	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+2K-H"	76.91904
"1091359"	423.14464	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2K-H"	76.91904
"147081"	385.188758	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"2M+2K"	77.926316
"588833"	558.301558	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"3M+2K"	77.926316
"1077717"	212.075958	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2K"	77.926316
"1106553"	425.159192	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2K+H"	78.933592
"1339657"	425.246807	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+DMSO+H"	79.021207
"1010376"	429.285976	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2ACN+H"	83.060376
"1529594"	430.279608	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+IsoProp+Na+H"	84.054008
"992760"	215.146626	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+2ACN+2H"	84.067652
"1591639"	431.194228	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+K+HCOOH"	84.968628
"1419486"	461.225738	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+H+CF3COOH"	115.000138
"1154149"	235.659901	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+3ACN+2H"	125.094202
"1698233"	478.252285	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+NH4+CF3COOH"	132.026685
"1636071"	483.20768	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+Na+CF3COOH"	136.98208
"1571638"	499.18162	"C04170"	"13-(2-Methylcrotonoyl)oxylupanine;13-(2-Methylcrotonoyl)oxylupinine;()-13alpha-Tigloyloxylupanine"	"C20H30N2O3"	"346.2256"	"M+K+CF3COOH"	152.95602
"816306"	156.0423	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M"	0
"977810"	137.02391	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"70428"	103.020924	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"503074"	155.035024	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"888883"	51.006824	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"3445"	155.035024	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"442641"	233.056174	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"820078"	77.013874	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"81163"	311.077324	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"520722"	467.119624	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"897797"	155.035024	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"57646"	328.103871	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"502559"	484.146171	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"879147"	172.061571	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"47000"	333.059266	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"483577"	489.101566	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"859190"	177.016966	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1630908"	177.016966	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"104158"	173.023363	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"543718"	251.044513	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"936138"	95.002213	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"270318"	347.054002	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"664932"	503.096302	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1275512"	191.011702	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"17455"	349.033206	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"468205"	505.075506	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"846007"	192.990906	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1568038"	192.990906	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"957750"	201.040494	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"376650"	357.082801	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"361252"	371.098451	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1507097"	215.056151	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"974103"	223.022451	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"122573"	191.011702	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"559945"	269.032852	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1025463"	112.990552	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1243945"	234.961185	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1306028"	237.017172	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1320976"	258.999129	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"912761"	269.027886	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1292753"	305.004564	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1380398"	121.029624	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1398381"	139.0396	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"296854"	313.091876	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"681623"	469.134176	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1362347"	157.049576	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"136327"	157.049576	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"574795"	235.070726	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1045780"	79.028426	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"211493"	105.035476	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"652151"	157.049576	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1171369"	53.021376	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"438902"	330.118423	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"800990"	486.160723	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1695255"	174.076123	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"344995"	165.5628495	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"737742"	243.5839995	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1489774"	87.5416995	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"407978"	335.073818	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"768364"	491.116118	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1616102"	179.031518	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"328325"	168.040547	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"722083"	246.061697	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1474567"	90.019397	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1066963"	60.34869	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1272046"	189.075786	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"390616"	351.047758	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"753433"	507.090058	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1554633"	195.005458	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"312293"	176.027517	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"696694"	254.048667	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1450512"	98.006367	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"240568"	354.118426	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1211453"	198.076126	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1196795"	99.541701	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"194041"	357.05576	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"635789"	513.09806	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1140024"	201.01346	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"182220"	179.031518	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"618868"	257.052668	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1121644"	101.010368	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1406993"	67.676004	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1432911"	203.055046	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"223341"	184.06454	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1521857"	217.10709	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"412186"	187.018488	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"775367"	265.039638	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1670603"	108.997338	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"257126"	376.100368	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1236397"	220.058068	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1725287"	220.081593	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1184081"	75.003318	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1658347"	225.036988	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"163025"	389.00364	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"602584"	545.04594	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1090376"	232.96134	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"147191"	195.005458	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"593316"	273.026608	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1077827"	116.984308	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1106663"	234.975892	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1339767"	235.063507	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1012673"	239.102676	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1530798"	240.096308	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"992870"	120.054976	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1596124"	241.010928	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1423971"	271.042438	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1154259"	140.568251	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1704904"	288.068985	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1642742"	293.02438	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1571831"	308.99832	"C04171"	"(2S3S)-23-Dihydro-23-dihydroxybenzoate;(2S3S)-23-Dihydroxy-23-dihydroxybenzoate"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"815323"	293.9906	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M"	0
"976097"	274.97221	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-H2O-H"	-19.01839
"70538"	194.986457333333	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M-3H"	-3.021828
"503897"	292.983324	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M-3H"	-3.021828
"888993"	96.9895906666666	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-3H"	-3.021828
"2098"	292.983324	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H"	-2.014552
"442751"	439.978624	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H"	-2.014552
"821645"	145.988024	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-2H"	-2.014552
"82001"	586.973924	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M-H"	-1.007276
"522655"	880.964524	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M-H"	-1.007276
"897540"	292.983324	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-H"	-1.007276
"57756"	604.000471	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H+NH4"	16.019271
"502594"	897.991071	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H+NH4"	16.019271
"877678"	310.009871	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-2H+NH4"	16.019271
"47087"	608.955866	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H+Na"	20.974666
"482594"	902.946466	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H+Na"	20.974666
"860395"	314.965266	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-2H+Na"	20.974666
"1630656"	314.965266	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Na-2H"	20.974666
"106455"	310.971663	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M-H+Cl"	33.962126
"544921"	457.966963	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M-H+Cl"	33.962126
"939527"	163.976363	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-H+Cl"	33.962126
"270427"	622.950602	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+Cl"	34.969402
"665042"	916.941202	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+Cl"	34.969402
"1276350"	328.960002	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl"	34.969402
"18900"	624.929806	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H+K"	36.948606
"468315"	918.920406	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H+K"	36.948606
"845023"	330.939206	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-2H+K"	36.948606
"1570660"	330.939206	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+K-2H"	36.948606
"958438"	338.988794	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-H+HCOOH"	44.998194
"375949"	632.979401	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+HCOOH-H"	44.998201
"360687"	646.995051	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+Hac-H"	59.013851
"1507207"	353.004451	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Hac-H"	59.013851
"972561"	360.970751	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-H+NaCOOH"	66.980151
"122683"	328.960002	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+2Cl"	69.938804
"563335"	475.955302	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+2Cl"	69.938804
"1025574"	181.964702	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2Cl"	69.938804
"1244420"	372.909485	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Br"	78.918885
"1306139"	374.965472	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl+HCOOH"	80.974872
"1321451"	396.947429	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl+NaCOOH"	102.956829
"915060"	406.976186	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M-H+CF3COOH"	112.985586
"1292864"	442.952864	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl+CF3COOH"	148.962264
"1380143"	258.977924	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H-2H2O"	-35.012676
"1394728"	276.9879	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H-H2O"	-17.0027
"293682"	588.988476	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+H"	1.007276
"682827"	882.979076	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+H"	1.007276
"1359905"	294.997876	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H"	1.007276
"129877"	294.997876	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+2H"	2.014552
"574905"	441.993176	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+2H"	2.014552
"1042609"	148.002576	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2H"	2.014552
"209416"	197.001009333333	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+3H"	3.021828
"652261"	294.997876	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+3H"	3.021828
"1169292"	99.0041426666667	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+3H"	3.021828
"439011"	606.015023	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+NH4"	18.033823
"798304"	900.005623	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+NH4"	18.033823
"1694636"	312.024423	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+NH4"	18.033823
"345579"	303.5111495	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+H+NH4"	19.041099
"738014"	450.5064495	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+H+NH4"	19.041099
"1489884"	156.5158495	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H+NH4"	19.041099
"407478"	610.970418	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+Na"	22.989218
"769488"	904.961018	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+Na"	22.989218
"1617305"	316.979818	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Na"	22.989218
"329287"	305.988847	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+H+Na"	23.996494
"721949"	452.984147	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+H+Na"	23.996494
"1475770"	158.993547	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H+Na"	23.996494
"1067557"	106.331456666667	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2H+Na"	25.00377
"1272515"	327.024086	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+CH3OH+H"	33.033486
"392711"	626.944358	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+K"	38.963158
"754137"	920.934958	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+K"	38.963158
"1550487"	332.953758	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+K"	38.963158
"304382"	313.975817	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+H+K"	39.970434
"697898"	460.971117	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+H+K"	39.970434
"1451715"	166.980517	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H+K"	39.970434
"239951"	630.015026	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+ACN+H"	42.033826
"1216303"	336.024426	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+ACN+H"	42.033826
"1202373"	168.515851	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+ACN+2H"	43.041102
"197432"	632.95236	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+2Na-H"	44.97116
"638086"	926.94296	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+2Na-H"	44.97116
"1143416"	338.96176	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2Na-H"	44.97116
"183425"	316.979818	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+2Na"	45.978436
"620437"	463.975118	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+2Na"	45.978436
"1121756"	169.984518	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2Na"	45.978436
"1407103"	113.658770666667	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H+2Na"	46.985712
"1434477"	341.003346	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H+HCOOH"	47.012746
"226731"	322.01284	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+3H2O+2H"	56.04448
"1522088"	355.05539	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+IsoProp+H"	61.06479
"416669"	324.966788	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+Na+K"	61.952376
"776570"	471.962088	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+Na+K"	61.952376
"1669984"	177.971488	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Na+K"	61.952376
"261608"	651.996968	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+ACN+Na"	64.015768
"1238332"	358.006368	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+ACN+Na"	64.015768
"1725398"	358.029893	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+NH4+HCOOH"	64.039293
"1189658"	120.986084666667	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+3Na"	68.967654
"1662831"	362.985288	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Na+HCOOH"	68.994688
"162405"	664.90024	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+2K-H"	76.91904
"603785"	958.89084	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+2K-H"	76.91904
"1087204"	370.90964	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2K-H"	76.91904
"146207"	332.953758	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"2M+2K"	77.926316
"590146"	479.949058	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"3M+2K"	77.926316
"1074657"	185.958458	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2K"	77.926316
"1104586"	372.924192	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2K+H"	78.933592
"1339877"	373.011807	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+DMSO+H"	79.021207
"1010230"	377.050976	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2ACN+H"	83.060376
"1530907"	378.044608	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+IsoProp+Na+H"	84.054008
"992980"	189.029126	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+2ACN+2H"	84.067652
"1596234"	378.959228	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+K+HCOOH"	84.968628
"1420801"	408.990738	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+H+CF3COOH"	115.000138
"1154369"	209.542401	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+3ACN+2H"	125.094202
"1705014"	426.017285	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+NH4+CF3COOH"	132.026685
"1642852"	430.97268	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+Na+CF3COOH"	136.98208
"1571941"	446.94662	"C04175"	"2-Deoxy-D-ribose 15-bisphosphate"	"C5H12O10P2"	"293.9906"	"M+K+CF3COOH"	152.95602
"815069"	274.8581	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M"	0
"975843"	255.83971	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-H2O-H"	-19.01839
"72835"	182.231457333333	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M-3H"	-3.021828
"503197"	273.850824	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M-3H"	-3.021828
"885823"	90.6120906666666	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-3H"	-3.021828
"872"	273.850824	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M-2H"	-2.014552
"442133"	411.279874	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M-2H"	-2.014552
"821755"	136.421774	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-2H"	-2.014552
"83936"	548.708924	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M-H"	-1.007276
"523496"	823.567024	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M-H"	-1.007276
"900203"	273.850824	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-H"	-1.007276
"48137"	565.735471	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M-2H+NH4"	16.019271
"493050"	840.593571	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M-2H+NH4"	16.019271
"879370"	290.877371	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-2H+NH4"	16.019271
"47020"	570.690866	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M-2H+Na"	20.974666
"486467"	845.548966	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M-2H+Na"	20.974666
"861597"	295.832766	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-2H+Na"	20.974666
"1628943"	295.832766	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Na-2H"	20.974666
"107658"	291.839163	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M-H+Cl"	33.962126
"546125"	429.268213	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M-H+Cl"	33.962126
"938544"	154.410113	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-H+Cl"	33.962126
"270538"	584.685602	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+Cl"	34.969402
"669526"	859.543702	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+Cl"	34.969402
"1280835"	309.827502	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Cl"	34.969402
"16947"	586.664806	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M-2H+K"	36.948606
"470613"	861.522906	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M-2H+K"	36.948606
"847685"	311.806706	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-2H+K"	36.948606
"1570938"	311.806706	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+K-2H"	36.948606
"958450"	319.856294	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-H+HCOOH"	44.998194
"376509"	594.714401	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+HCOOH-H"	44.998201
"361315"	608.730051	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+Hac-H"	59.013851
"1506345"	333.871951	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Hac-H"	59.013851
"969512"	341.838251	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-H+NaCOOH"	66.980151
"125393"	309.827502	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+2Cl"	69.938804
"562352"	447.256552	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+2Cl"	69.938804
"1028964"	172.398452	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2Cl"	69.938804
"1245258"	353.776985	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Br"	78.918885
"1305519"	355.832972	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Cl+HCOOH"	80.974872
"1324114"	377.814929	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Cl+NaCOOH"	102.956829
"917358"	387.843686	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M-H+CF3COOH"	112.985586
"1294068"	423.820364	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Cl+CF3COOH"	148.962264
"1376606"	239.845424	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H-2H2O"	-35.012676
"1398206"	257.8554	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H-H2O"	-17.0027
"297805"	550.723476	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+H"	1.007276
"688041"	825.581576	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+H"	1.007276
"1365850"	275.865376	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H"	1.007276
"135456"	275.865376	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+2H"	2.014552
"575015"	413.294426	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+2H"	2.014552
"1046000"	138.436326	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2H"	2.014552
"212806"	184.246009333333	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+3H"	3.021828
"655652"	275.865376	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+3H"	3.021828
"1173776"	92.6266426666667	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+3H"	3.021828
"435596"	567.750023	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+NH4"	18.033823
"798414"	842.608123	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+NH4"	18.033823
"1695475"	292.891923	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+NH4"	18.033823
"340471"	284.3786495	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+H+NH4"	19.041099
"735085"	421.8076995	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+H+NH4"	19.041099
"1487808"	146.9495995	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H+NH4"	19.041099
"407958"	572.705418	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+Na"	22.989218
"769074"	847.563518	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+Na"	22.989218
"1615594"	297.847318	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Na"	22.989218
"329154"	286.856347	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+H+Na"	23.996494
"720967"	424.285397	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+H+Na"	23.996494
"1476126"	149.427297	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H+Na"	23.996494
"1067304"	99.9539566666667	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2H+Na"	25.00377
"1272629"	307.891586	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+CH3OH+H"	33.033486
"392213"	588.679358	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+K"	38.963158
"754058"	863.537458	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+K"	38.963158
"1554609"	313.821258	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+K"	38.963158
"311052"	294.843317	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+H+K"	39.970434
"703475"	432.272367	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+H+K"	39.970434
"1451826"	157.414267	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H+K"	39.970434
"241521"	591.750026	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+ACN+H"	42.033826
"1217507"	316.891926	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+ACN+H"	42.033826
"1202484"	158.949601	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+ACN+2H"	43.041102
"197542"	594.68736	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+2Na-H"	44.97116
"637103"	869.54546	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+2Na-H"	44.97116
"1143526"	319.82926	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2Na-H"	44.97116
"183535"	297.847318	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+2Na"	45.978436
"619087"	435.276368	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+2Na"	45.978436
"1120407"	160.418268	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2Na"	45.978436
"1406120"	107.281270666667	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H+2Na"	46.985712
"1432400"	321.870846	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H+HCOOH"	47.012746
"226841"	302.88034	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+3H2O+2H"	56.04448
"1522198"	335.92289	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+IsoProp+H"	61.06479
"414592"	305.834288	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+Na+K"	61.952376
"776679"	443.263338	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+Na+K"	61.952376
"1670823"	168.405238	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Na+K"	61.952376
"256249"	613.731968	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+ACN+Na"	64.015768
"1235521"	338.873868	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+ACN+Na"	64.015768
"1726598"	338.897393	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+NH4+HCOOH"	64.039293
"1194147"	114.608584666667	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+3Na"	68.967654
"1665510"	343.852788	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Na+HCOOH"	68.994688
"172521"	626.63524	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+2K-H"	76.91904
"606083"	901.49334	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+2K-H"	76.91904
"1094969"	351.77714	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2K-H"	76.91904
"146319"	313.821258	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"2M+2K"	77.926316
"592443"	451.250308	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"3M+2K"	77.926316
"1074767"	176.392208	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2K"	77.926316
"1109070"	353.791692	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2K+H"	78.933592
"1339987"	353.879307	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+DMSO+H"	79.021207
"1012163"	357.918476	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2ACN+H"	83.060376
"1527736"	358.912108	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+IsoProp+Na+H"	84.054008
"991997"	179.462876	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+2ACN+2H"	84.067652
"1599624"	359.826728	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+K+HCOOH"	84.968628
"1424191"	389.858238	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+H+CF3COOH"	115.000138
"1154479"	199.976151	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+3ACN+2H"	125.094202
"1705124"	406.884785	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+NH4+CF3COOH"	132.026685
"1642962"	411.84018	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+Na+CF3COOH"	136.98208
"1572051"	427.81412	"C04178"	"Bromoxynil;35-Dibromo-4-hydroxybenzonitrile"	"C7H3Br2NO"	"274.8581"	"M+K+CF3COOH"	152.95602
"814450"	132.0423	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M"	0
"984703"	113.02391	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"72945"	87.020924	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"504850"	131.035024	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"882653"	43.006824	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"1226"	131.035024	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"445157"	197.056174	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"821866"	65.013874	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"84046"	263.077324	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"521781"	395.119624	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"899219"	131.035024	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"51776"	280.103871	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"492428"	412.146171	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"879110"	148.061571	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"46531"	285.059266	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"486453"	417.101566	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"862804"	153.016966	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1634147"	153.016966	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"107768"	149.023363	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"546235"	215.044513	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"937561"	83.002213	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"271746"	299.054002	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"670729"	431.096302	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1280945"	167.011702	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"29345"	301.033206	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"469998"	433.075506	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"847796"	168.990906	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1570200"	168.990906	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"958004"	177.040494	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"376537"	309.082801	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"361316"	323.098451	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1505361"	191.056151	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"971808"	199.022451	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"125537"	167.011702	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"564284"	233.032852	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1025793"	100.990552	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1245368"	210.961185	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1308913"	213.017172	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1327504"	234.999129	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"912122"	245.027886	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1300014"	281.004564	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1375623"	97.029624	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1397134"	115.0396	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"292812"	265.091876	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"685233"	397.134176	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1365960"	133.049576	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"138482"	133.049576	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"576221"	199.070726	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1045018"	67.028426	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"216203"	89.035476	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"657588"	133.049576	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1177540"	45.021376	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"438262"	282.118423	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"799620"	414.160723	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1695590"	150.076123	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"344602"	141.5628495	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"734102"	207.5839995	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1491569"	75.5416995	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"406606"	287.073818	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"769550"	419.116118	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1618180"	155.031518	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"328895"	144.040547	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"722724"	210.061697	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1476986"	78.019397	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1067989"	52.34869	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1272127"	165.075786	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"391672"	303.047758	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"753970"	435.090058	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1554599"	171.005458	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"308975"	152.027517	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"705409"	218.048667	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1450843"	86.006367	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"241629"	306.118426	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1218710"	174.076126	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1203689"	87.541701	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"196559"	309.05576	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"639400"	441.09806	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1145582"	177.01346	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"182916"	155.031518	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"620292"	221.052668	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1124889"	89.010368	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1403311"	59.676004	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1432876"	179.055046	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"226951"	160.06454	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1522308"	193.10709	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"414702"	163.018488	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"778975"	229.039638	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1674214"	96.997338	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"259274"	328.100368	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1226877"	196.058068	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1724885"	196.081593	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1192063"	67.003318	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1663779"	201.036988	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"169910"	341.00364	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"612798"	473.04594	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1098845"	208.96134	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"150802"	171.005458	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"588174"	237.026608	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1075968"	104.984308	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1111366"	210.975892	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1344473"	211.063507	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1015189"	215.102676	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1528939"	216.096308	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"992471"	108.054976	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1593172"	217.010928	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1426487"	247.042438	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1154588"	128.568251	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1701952"	264.068985	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1636874"	269.02438	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1580910"	284.99832	"C04181"	"3-Hydroxy-3-methyl-2-oxobutanoic acid;3-Hydroxy-3-methyl-2-oxobutanoate;2-Oxo-3-hydroxyisovalerate"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"814560"	193.0375	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M"	0
"984812"	174.01911	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-H2O-H"	-19.01839
"73055"	127.684390666667	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M-3H"	-3.021828
"504960"	192.030224	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M-3H"	-3.021828
"881670"	63.3385573333333	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-3H"	-3.021828
"1337"	192.030224	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M-2H"	-2.014552
"444537"	288.548974	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M-2H"	-2.014552
"823068"	95.511474	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-2H"	-2.014552
"83062"	385.067724	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M-H"	-1.007276
"522621"	578.105224	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M-H"	-1.007276
"898357"	192.030224	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-H"	-1.007276
"52977"	402.094271	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M-2H+NH4"	16.019271
"490105"	595.131771	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M-2H+NH4"	16.019271
"877763"	209.056771	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-2H+NH4"	16.019271
"41167"	407.049666	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M-2H+Na"	20.974666
"482916"	600.087166	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M-2H+Na"	20.974666
"862551"	214.012166	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-2H+Na"	20.974666
"1633298"	214.012166	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Na-2H"	20.974666
"108729"	210.018563	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M-H+Cl"	33.962126
"547438"	306.537313	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M-H+Cl"	33.962126
"934391"	113.499813	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-H+Cl"	33.962126
"271856"	421.044402	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+Cl"	34.969402
"670839"	614.081902	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+Cl"	34.969402
"1278868"	228.006902	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Cl"	34.969402
"30180"	423.023606	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M-2H+K"	36.948606
"467551"	616.061106	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M-2H+K"	36.948606
"838790"	229.986106	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-2H+K"	36.948606
"1568113"	229.986106	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+K-2H"	36.948606
"957094"	238.035694	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-H+HCOOH"	44.998194
"373482"	431.073201	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+HCOOH-H"	44.998201
"360288"	445.088851	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+Hac-H"	59.013851
"1507293"	252.051351	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Hac-H"	59.013851
"971918"	260.017651	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-H+NaCOOH"	66.980151
"125445"	228.006902	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+2Cl"	69.938804
"564394"	324.525652	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+2Cl"	69.938804
"1025903"	131.488152	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2Cl"	69.938804
"1244385"	271.956385	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Br"	78.918885
"1307930"	274.012372	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Cl+HCOOH"	80.974872
"1324333"	295.994329	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Cl+NaCOOH"	102.956829
"915391"	306.023086	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M-H+CF3COOH"	112.985586
"1300124"	341.999764	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Cl+CF3COOH"	148.962264
"1375733"	158.024824	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H-2H2O"	-35.012676
"1394692"	176.0348	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H-H2O"	-17.0027
"295109"	387.082276	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+H"	1.007276
"683155"	580.119776	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+H"	1.007276
"1360598"	194.044776	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H"	1.007276
"137497"	194.044776	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+2H"	2.014552
"574142"	290.563526	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+2H"	2.014552
"1045127"	97.526026	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2H"	2.014552
"211938"	129.698942666667	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+3H"	3.021828
"654780"	194.044776	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+3H"	3.021828
"1176923"	65.3531093333333	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+3H"	3.021828
"438736"	404.108823	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+NH4"	18.033823
"800093"	597.146323	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+NH4"	18.033823
"1695700"	211.071323	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+NH4"	18.033823
"345322"	202.5580495	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+H+NH4"	19.041099
"736398"	299.0767995	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+H+NH4"	19.041099
"1491680"	106.0392995	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H+NH4"	19.041099
"408486"	409.064218	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+Na"	22.989218
"769852"	602.101718	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+Na"	22.989218
"1618256"	216.026718	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Na"	22.989218
"327911"	205.035747	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+H+Na"	23.996494
"722338"	301.554497	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+H+Na"	23.996494
"1476919"	108.516997	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H+Na"	23.996494
"1068180"	72.6804233333333	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2H+Na"	25.00377
"1270659"	226.070986	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+CH3OH+H"	33.033486
"391541"	425.038158	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+K"	38.963158
"753631"	618.075658	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+K"	38.963158
"1554953"	232.000658	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+K"	38.963158
"307992"	213.022717	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+H+K"	39.970434
"705519"	309.541467	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+H+K"	39.970434
"1452046"	116.503967	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H+K"	39.970434
"243925"	428.108826	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+ACN+H"	42.033826
"1218458"	235.071326	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+ACN+H"	42.033826
"1203799"	118.039301	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+ACN+2H"	43.041102
"198856"	431.04616	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+2Na-H"	44.97116
"639876"	624.08366	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+2Na-H"	44.97116
"1146177"	238.00866	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2Na-H"	44.97116
"183027"	216.026718	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+2Na"	45.978436
"621494"	312.545468	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+2Na"	45.978436
"1127186"	119.507968	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2Na"	45.978436
"1405243"	80.0077373333333	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H+2Na"	46.985712
"1434081"	240.050246	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H+HCOOH"	47.012746
"227061"	221.05974	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+3H2O+2H"	56.04448
"1522783"	254.10229	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+IsoProp+H"	61.06479
"416634"	224.013688	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+Na+K"	61.952376
"779085"	320.532438	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+Na+K"	61.952376
"1673960"	127.494938	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Na+K"	61.952376
"259748"	450.090768	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+ACN+Na"	64.015768
"1227716"	257.053268	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+ACN+Na"	64.015768
"1725724"	257.076793	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+NH4+HCOOH"	64.039293
"1192417"	87.3350513333333	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+3Na"	68.967654
"1663768"	262.032188	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Na+HCOOH"	68.994688
"170993"	462.99404	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+2K-H"	76.91904
"612796"	656.03154	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+2K-H"	76.91904
"1098713"	269.95654	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2K-H"	76.91904
"150912"	232.000658	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"2M+2K"	77.926316
"588284"	328.519408	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"3M+2K"	77.926316
"1074985"	135.481908	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2K"	77.926316
"1108196"	271.971092	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2K+H"	78.933592
"1345676"	272.058707	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+DMSO+H"	79.021207
"1010196"	276.097876	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2ACN+H"	83.060376
"1526861"	277.091508	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+IsoProp+Na+H"	84.054008
"992217"	138.552576	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+2ACN+2H"	84.067652
"1592189"	278.006128	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+K+HCOOH"	84.968628
"1423317"	308.037638	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+H+CF3COOH"	115.000138
"1149230"	159.065851	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+3ACN+2H"	125.094202
"1702062"	325.064185	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+NH4+CF3COOH"	132.026685
"1639899"	330.01958	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+Na+CF3COOH"	136.98208
"1578833"	345.99352	"C04185"	"56-Dihydroxyindole-2-carboxylate;DHICA"	"C9H7NO4"	"193.0375"	"M+K+CF3COOH"	152.95602
"814670"	216.027	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M"	0
"984922"	197.00861	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-H2O-H"	-19.01839
"74258"	143.010724	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M-3H"	-3.021828
"507256"	215.019724	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M-3H"	-3.021828
"885059"	71.001724	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-3H"	-3.021828
"4358"	215.019724	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M-2H"	-2.014552
"443190"	323.033224	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M-2H"	-2.014552
"820263"	107.006224	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-2H"	-2.014552
"79892"	431.046724	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M-H"	-1.007276
"522731"	647.073724	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M-H"	-1.007276
"898345"	215.019724	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-H"	-1.007276
"50532"	448.073271	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M-2H+NH4"	16.019271
"488754"	664.100271	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M-2H+NH4"	16.019271
"878601"	232.046271	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-2H+NH4"	16.019271
"44557"	453.028666	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M-2H+Na"	20.974666
"483026"	669.055666	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M-2H+Na"	20.974666
"861567"	237.001666	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-2H+Na"	20.974666
"1631461"	237.001666	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Na-2H"	20.974666
"107624"	233.008063	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M-H+Cl"	33.962126
"544268"	341.021563	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M-H+Cl"	33.962126
"937781"	124.994563	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-H+Cl"	33.962126
"269779"	467.023402	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+Cl"	34.969402
"668762"	683.050402	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+Cl"	34.969402
"1272980"	250.996402	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Cl"	34.969402
"28102"	469.002606	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M-2H+K"	36.948606
"467661"	685.029606	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M-2H+K"	36.948606
"837807"	252.975606	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-2H+K"	36.948606
"1567858"	252.975606	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+K-2H"	36.948606
"956109"	261.025194	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-H+HCOOH"	44.998194
"372499"	477.052201	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+HCOOH-H"	44.998201
"357114"	491.067851	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+Hac-H"	59.013851
"1504486"	275.040851	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Hac-H"	59.013851
"962184"	283.007151	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-H+NaCOOH"	66.980151
"123119"	250.996402	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+2Cl"	69.938804
"557214"	359.009902	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+2Cl"	69.938804
"1026013"	142.982902	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2Cl"	69.938804
"1242309"	294.945885	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Br"	78.918885
"1305000"	297.001872	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Cl+HCOOH"	80.974872
"1322255"	318.983829	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Cl+NaCOOH"	102.956829
"913314"	329.012586	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M-H+CF3COOH"	112.985586
"1296589"	364.989264	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Cl+CF3COOH"	148.962264
"1374750"	181.014324	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H-2H2O"	-35.012676
"1394074"	199.0243	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H-H2O"	-17.0027
"294124"	433.061276	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+H"	1.007276
"685451"	649.088276	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+H"	1.007276
"1363989"	217.034276	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H"	1.007276
"131409"	217.034276	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+2H"	2.014552
"573158"	325.047776	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+2H"	2.014552
"1039040"	109.020776	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2H"	2.014552
"212048"	145.025276	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+3H"	3.021828
"655620"	217.034276	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+3H"	3.021828
"1176667"	73.016276	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+3H"	3.021828
"437387"	450.087823	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+NH4"	18.033823
"798016"	666.114823	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+NH4"	18.033823
"1694715"	234.060823	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+NH4"	18.033823
"344822"	225.5475495	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+H+NH4"	19.041099
"733228"	333.5610495	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+H+NH4"	19.041099
"1491060"	117.5340495	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H+NH4"	19.041099
"408171"	455.043218	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+Na"	22.989218
"769408"	671.070218	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+Na"	22.989218
"1617985"	239.016218	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Na"	22.989218
"328021"	228.025247	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+H+Na"	23.996494
"722277"	336.038747	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+H+Na"	23.996494
"1476094"	120.011747	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H+Na"	23.996494
"1067274"	80.34359	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2H+Na"	25.00377
"1271861"	249.060486	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+CH3OH+H"	33.033486
"391530"	471.017158	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+K"	38.963158
"753374"	687.044158	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+K"	38.963158
"1554331"	254.990158	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+K"	38.963158
"309925"	236.012217	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+H+K"	39.970434
"697607"	344.025717	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+H+K"	39.970434
"1452156"	127.998717	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H+K"	39.970434
"244035"	474.087826	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+ACN+H"	42.033826
"1218931"	258.060826	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+ACN+H"	42.033826
"1201721"	129.534051	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+ACN+2H"	43.041102
"198966"	477.02516	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+2Na-H"	44.97116
"640715"	693.05216	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+2Na-H"	44.97116
"1144585"	260.99816	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2Na-H"	44.97116
"184229"	239.016218	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+2Na"	45.978436
"623790"	347.029718	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+2Na"	45.978436
"1126201"	131.002718	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2Na"	45.978436
"1403531"	87.670904	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H+2Na"	46.985712
"1435284"	263.039746	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H+HCOOH"	47.012746
"227170"	244.04924	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+3H2O+2H"	56.04448
"1521068"	277.09179	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+IsoProp+H"	61.06479
"419296"	247.003188	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+Na+K"	61.952376
"774819"	355.016688	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+Na+K"	61.952376
"1676257"	138.989688	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Na+K"	61.952376
"260951"	496.069768	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+ACN+Na"	64.015768
"1228919"	280.042768	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+ACN+Na"	64.015768
"1724375"	280.066293	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+NH4+HCOOH"	64.039293
"1191552"	94.998218	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+3Na"	68.967654
"1661812"	285.021688	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Na+HCOOH"	68.994688
"171225"	508.97304	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+2K-H"	76.91904
"612373"	725.00004	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+2K-H"	76.91904
"1099431"	292.94604	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2K-H"	76.91904
"151022"	254.990158	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"2M+2K"	77.926316
"588394"	363.003658	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"3M+2K"	77.926316
"1077282"	146.976658	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2K"	77.926316
"1108306"	294.960592	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2K+H"	78.933592
"1344693"	295.048207	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+DMSO+H"	79.021207
"1012128"	299.087376	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2ACN+H"	83.060376
"1525878"	300.081008	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+IsoProp+Na+H"	84.054008
"994514"	150.047326	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+2ACN+2H"	84.067652
"1589383"	300.995628	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+K+HCOOH"	84.968628
"1423427"	331.027138	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+H+CF3COOH"	115.000138
"1149340"	170.560601	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+3ACN+2H"	125.094202
"1702172"	348.053685	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+NH4+CF3COOH"	132.026685
"1640009"	353.00908	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+Na+CF3COOH"	136.98208
"1578943"	368.98302	"C04186"	"5-Carboxymethyl-2-hydroxymuconate"	"C8H8O7"	"216.027"	"M+K+CF3COOH"	152.95602
"814780"	401.0389	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M"	0
"985032"	382.02051	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-H2O-H"	-19.01839
"74368"	266.351990666667	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M-3H"	-3.021828
"505544"	400.031624	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M-3H"	-3.021828
"881524"	132.672357333333	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-3H"	-3.021828
"215"	400.031624	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M-2H"	-2.014552
"442207"	600.551074	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M-2H"	-2.014552
"819280"	199.512174	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-2H"	-2.014552
"82189"	801.070524	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M-H"	-1.007276
"525029"	1202.109424	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M-H"	-1.007276
"898456"	400.031624	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-H"	-1.007276
"52830"	818.097071	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M-2H+NH4"	16.019271
"490205"	1219.135971	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M-2H+NH4"	16.019271
"875671"	417.058171	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-2H+NH4"	16.019271
"44668"	823.052466	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M-2H+Na"	20.974666
"485322"	1224.091366	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M-2H+Na"	20.974666
"863134"	422.013566	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-2H+Na"	20.974666
"1632664"	422.013566	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Na-2H"	20.974666
"108098"	418.019963	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M-H+Cl"	33.962126
"545471"	618.539413	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M-H+Cl"	33.962126
"934611"	217.500513	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-H+Cl"	33.962126
"269889"	837.047202	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+Cl"	34.969402
"668872"	1238.086102	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+Cl"	34.969402
"1275077"	436.008302	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Cl"	34.969402
"28212"	839.026406	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M-2H+K"	36.948606
"467771"	1240.065306	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M-2H+K"	36.948606
"837917"	437.987506	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-2H+K"	36.948606
"1567968"	437.987506	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+K-2H"	36.948606
"954760"	446.037094	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-H+HCOOH"	44.998194
"372973"	847.076001	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+HCOOH-H"	44.998201
"357588"	861.091651	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+Hac-H"	59.013851
"1506782"	460.052751	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Hac-H"	59.013851
"962658"	468.019051	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-H+NaCOOH"	66.980151
"123229"	436.008302	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+2Cl"	69.938804
"557324"	636.527752	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+2Cl"	69.938804
"1027216"	235.488852	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2Cl"	69.938804
"1242419"	479.957785	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Br"	78.918885
"1306326"	482.013772	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Cl+HCOOH"	80.974872
"1321636"	503.995729	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Cl+NaCOOH"	102.956829
"913059"	514.024486	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M-H+CF3COOH"	112.985586
"1290861"	550.001164	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Cl+CF3COOH"	148.962264
"1375953"	366.026224	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H-2H2O"	-35.012676
"1394913"	384.0362	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H-H2O"	-17.0027
"293504"	803.085076	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+H"	1.007276
"685198"	1204.123976	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+H"	1.007276
"1364464"	402.046176	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H"	1.007276
"131519"	402.046176	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+2H"	2.014552
"567433"	602.565626	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+2H"	2.014552
"1039514"	201.526726	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2H"	2.014552
"206690"	268.366542666667	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+3H"	3.021828
"655366"	402.046176	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+3H"	3.021828
"1177384"	134.686909333333	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+3H"	3.021828
"437497"	820.111623	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+NH4"	18.033823
"797397"	1221.150523	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+NH4"	18.033823
"1694461"	419.072723	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+NH4"	18.033823
"344930"	410.5594495	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+H+NH4"	19.041099
"733339"	611.0788995	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+H+NH4"	19.041099
"1490442"	210.0399995	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H+NH4"	19.041099
"408363"	825.067018	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+Na"	22.989218
"769599"	1226.105918	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+Na"	22.989218
"1616029"	424.028118	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Na"	22.989218
"328252"	413.037147	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+H+Na"	23.996494
"722506"	613.556597	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+H+Na"	23.996494
"1475589"	212.517697	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H+Na"	23.996494
"1068274"	142.014223333333	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2H+Na"	25.00377
"1272463"	434.072386	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+CH3OH+H"	33.033486
"392614"	841.040958	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+K"	38.963158
"754164"	1242.079858	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+K"	38.963158
"1553589"	440.002058	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+K"	38.963158
"310035"	421.024117	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+H+K"	39.970434
"697351"	621.543567	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+H+K"	39.970434
"1451173"	220.504667	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H+K"	39.970434
"241958"	844.111626	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+ACN+H"	42.033826
"1217947"	443.072726	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+ACN+H"	42.033826
"1201102"	222.040001	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+ACN+2H"	43.041102
"195795"	847.04896	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+2Na-H"	44.97116
"638637"	1248.08786	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+2Na-H"	44.97116
"1145422"	446.01006	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2Na-H"	44.97116
"179965"	424.028118	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+2Na"	45.978436
"621713"	624.547568	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+2Na"	45.978436
"1125218"	223.508668	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2Na"	45.978436
"1403277"	149.341537333333	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H+2Na"	46.985712
"1434301"	448.051646	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H+HCOOH"	47.012746
"227280"	429.06114	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+3H2O+2H"	56.04448
"1520447"	462.10369	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+IsoProp+H"	61.06479
"415029"	432.015088	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+Na+K"	61.952376
"773466"	632.534538	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+Na+K"	61.952376
"1674542"	231.495638	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Na+K"	61.952376
"257779"	866.093568	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+ACN+Na"	64.015768
"1228662"	465.054668	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+ACN+Na"	64.015768
"1715729"	465.078193	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+NH4+HCOOH"	64.039293
"1190201"	156.668851333333	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+3Na"	68.967654
"1663010"	470.033588	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Na+HCOOH"	68.994688
"170242"	878.99684	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+2K-H"	76.91904
"612441"	1280.03574	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+2K-H"	76.91904
"1098933"	477.95794	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2K-H"	76.91904
"151132"	440.002058	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"2M+2K"	77.926316
"589598"	640.521508	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"3M+2K"	77.926316
"1076298"	239.482608	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2K"	77.926316
"1110603"	479.972492	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2K+H"	78.933592
"1342615"	480.060107	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+DMSO+H"	79.021207
"1010052"	484.099276	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2ACN+H"	83.060376
"1529268"	485.092908	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+IsoProp+Na+H"	84.054008
"993529"	242.553276	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+2ACN+2H"	84.067652
"1592409"	486.007528	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+K+HCOOH"	84.968628
"1421349"	516.039038	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+H+CF3COOH"	115.000138
"1151636"	263.066551	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+3ACN+2H"	125.094202
"1699001"	533.065585	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+NH4+CF3COOH"	132.026685
"1640119"	538.02098	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+Na+CF3COOH"	136.98208
"1581240"	553.99492	"C04187"	"5-Methyldeoxycytidine diphosphate"	"C10H17N3O10P2"	"401.0389"	"M+K+CF3COOH"	152.95602
"816350"	260.012	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M"	0
"984052"	240.99361	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H2O-H"	-19.01839
"69012"	172.334057333333	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-3H"	-3.021828
"509666"	259.004724	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-3H"	-3.021828
"884185"	85.6633906666667	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-3H"	-3.021828
"133"	259.004724	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H"	-2.014552
"445598"	389.010724	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H"	-2.014552
"822304"	128.998724	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H"	-2.014552
"83392"	519.016724	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-H"	-1.007276
"526232"	779.028724	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-H"	-1.007276
"902941"	259.004724	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H"	-1.007276
"54033"	536.043271	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H+NH4"	16.019271
"493595"	796.055271	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H+NH4"	16.019271
"875415"	276.031271	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H+NH4"	16.019271
"42590"	540.998666	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H+Na"	20.974666
"484339"	801.010666	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H+Na"	20.974666
"863365"	280.986666	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H+Na"	20.974666
"1630587"	280.986666	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na-2H"	20.974666
"109466"	276.993063	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-H+Cl"	33.962126
"545581"	406.999063	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-H+Cl"	33.962126
"934721"	146.987063	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+Cl"	33.962126
"272186"	554.993402	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Cl"	34.969402
"671169"	815.005402	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+Cl"	34.969402
"1274823"	294.981402	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl"	34.969402
"30147"	556.972606	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H+K"	36.948606
"467881"	816.984606	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H+K"	36.948606
"838027"	296.960606	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H+K"	36.948606
"1568078"	296.960606	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K-2H"	36.948606
"953777"	305.010194	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+HCOOH"	44.998194
"371990"	565.022201	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+HCOOH-H"	44.998201
"356968"	579.037851	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Hac-H"	59.013851
"1506892"	319.025851	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Hac-H"	59.013851
"964591"	326.992151	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+NaCOOH"	66.980151
"120059"	294.981402	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2Cl"	69.938804
"557433"	424.987402	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2Cl"	69.938804
"1022586"	164.975402	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2Cl"	69.938804
"1241428"	338.930885	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Br"	78.918885
"1305464"	340.986872	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl+HCOOH"	80.974872
"1321017"	362.968829	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl+NaCOOH"	102.956829
"916450"	372.997586	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+CF3COOH"	112.985586
"1298995"	408.974264	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl+CF3COOH"	148.962264
"1376067"	224.999324	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H-2H2O"	-35.012676
"1395022"	243.0093	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H-H2O"	-17.0027
"296170"	521.031276	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H"	1.007276
"686767"	781.043276	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H"	1.007276
"1366398"	261.019276	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H"	1.007276
"132722"	261.019276	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2H"	2.014552
"568274"	391.025276	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2H"	2.014552
"1042176"	131.013276	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2H"	2.014552
"206800"	174.348609333333	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+3H"	3.021828
"654018"	261.019276	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+3H"	3.021828
"1177614"	87.6779426666667	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+3H"	3.021828
"438337"	538.057823	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+NH4"	18.033823
"799695"	798.069823	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+NH4"	18.033823
"1692750"	278.045823	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+NH4"	18.033823
"343584"	269.5325495	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H+NH4"	19.041099
"735635"	399.5385495	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H+NH4"	19.041099
"1490552"	139.5265495	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+NH4"	19.041099
"407047"	543.013218	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Na"	22.989218
"769869"	803.025218	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+Na"	22.989218
"1616139"	283.001218	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na"	22.989218
"322895"	272.010247	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H+Na"	23.996494
"722653"	402.016247	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H+Na"	23.996494
"1475698"	142.004247	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+Na"	23.996494
"1068217"	95.0052566666667	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2H+Na"	25.00377
"1271349"	293.045486	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+CH3OH+H"	33.033486
"392725"	558.987158	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+K"	38.963158
"754090"	818.999158	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+K"	38.963158
"1552971"	298.975158	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K"	38.963158
"314105"	279.997217	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H+K"	39.970434
"697462"	410.003217	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H+K"	39.970434
"1450189"	149.991217	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+K"	39.970434
"242068"	562.057826	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+ACN+H"	42.033826
"1214776"	302.045826	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+ACN+H"	42.033826
"1198662"	151.526551	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+ACN+2H"	43.041102
"194811"	564.99516	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2Na-H"	44.97116
"632552"	825.00716	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2Na-H"	44.97116
"1137878"	304.98316	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2Na-H"	44.97116
"178981"	283.001218	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2Na"	45.978436
"616718"	413.007218	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2Na"	45.978436
"1121318"	152.995218	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2Na"	45.978436
"1401565"	102.332570666667	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+2Na"	46.985712
"1436601"	307.024746	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+HCOOH"	47.012746
"226297"	288.03424	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+3H2O+2H"	56.04448
"1518371"	321.07679	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+IsoProp+H"	61.06479
"415138"	290.988188	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Na+K"	61.952376
"775039"	420.994188	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+Na+K"	61.952376
"1673558"	160.982188	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na+K"	61.952376
"253880"	584.039768	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+ACN+Na"	64.015768
"1228774"	324.027768	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+ACN+Na"	64.015768
"1716206"	324.051293	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+NH4+HCOOH"	64.039293
"1191406"	109.659884666667	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+3Na"	68.967654
"1663484"	329.006688	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na+HCOOH"	68.994688
"171811"	596.94304	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2K-H"	76.91904
"612675"	856.95504	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2K-H"	76.91904
"1098679"	336.93104	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2K-H"	76.91904
"151242"	298.975158	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2K"	77.926316
"589708"	428.981158	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2K"	77.926316
"1075315"	168.969158	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2K"	77.926316
"1105245"	338.945592	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2K+H"	78.933592
"1341632"	339.033207	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+DMSO+H"	79.021207
"1013442"	343.072376	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2ACN+H"	83.060376
"1530472"	344.066008	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+IsoProp+Na+H"	84.054008
"994734"	172.039826	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2ACN+2H"	84.067652
"1592519"	344.980628	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K+HCOOH"	84.968628
"1423646"	375.012138	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+CF3COOH"	115.000138
"1151746"	192.553101	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+3ACN+2H"	125.094202
"1702392"	392.038685	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+NH4+CF3COOH"	132.026685
"1640229"	396.99408	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na+CF3COOH"	136.98208
"1581350"	412.96802	"C04188"	"S-Methyl-5-thio-D-ribose 1-phosphate;S-Methyl-5-thio-alpha-D-ribose 1-phosphate;S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K+CF3COOH"	152.95602
"816580"	663.2477	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M"	0
"984162"	644.22931	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H2O-H"	-19.01839
"69122"	441.157857333333	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-3H"	-3.021828
"509776"	662.240424	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-3H"	-3.021828
"880367"	220.075290666667	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-3H"	-3.021828
"679"	662.240424	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H"	-2.014552
"444614"	993.864274	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H"	-2.014552
"821323"	330.616574	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H"	-2.014552
"83502"	1325.488124	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-H"	-1.007276
"526341"	1988.735824	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-H"	-1.007276
"899772"	662.240424	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H"	-1.007276
"54145"	1342.514671	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+NH4"	16.019271
"493707"	2005.762371	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+NH4"	16.019271
"874432"	679.266971	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+NH4"	16.019271
"39420"	1347.470066	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+Na"	20.974666
"478982"	2010.717766	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+Na"	20.974666
"860067"	684.222366	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+Na"	20.974666
"1633126"	684.222366	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na-2H"	20.974666
"99566"	680.228763	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-H+Cl"	33.962126
"548607"	1011.852613	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-H+Cl"	33.962126
"934831"	348.604913	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+Cl"	33.962126
"272296"	1361.464802	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Cl"	34.969402
"666906"	2024.712502	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Cl"	34.969402
"1273961"	698.217102	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl"	34.969402
"25150"	1363.444006	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+K"	36.948606
"470178"	2026.691706	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+K"	36.948606
"838137"	700.196306	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+K"	36.948606
"1569281"	700.196306	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K-2H"	36.948606
"956073"	708.245894	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+HCOOH"	44.998194
"373195"	1371.493601	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+HCOOH-H"	44.998201
"357078"	1385.509251	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Hac-H"	59.013851
"1506641"	722.261551	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Hac-H"	59.013851
"964702"	730.227851	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+NaCOOH"	66.980151
"121262"	698.217102	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Cl"	69.938804
"558636"	1029.840952	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Cl"	69.938804
"1025248"	366.593252	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Cl"	69.938804
"1242639"	742.166585	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Br"	78.918885
"1307274"	744.222572	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+HCOOH"	80.974872
"1322583"	766.204529	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+NaCOOH"	102.956829
"916196"	776.233286	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+CF3COOH"	112.985586
"1296917"	812.209964	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+CF3COOH"	148.962264
"1379456"	628.235024	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H-2H2O"	-35.012676
"1395132"	646.245	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H-H2O"	-17.0027
"295915"	1327.502676	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H"	1.007276
"687607"	1990.750376	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H"	1.007276
"1366266"	664.254976	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H"	1.007276
"132832"	664.254976	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2H"	2.014552
"568020"	995.878826	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2H"	2.014552
"1042286"	332.631126	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2H"	2.014552
"206180"	443.172409333333	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+3H"	3.021828
"654493"	664.254976	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+3H"	3.021828
"1175903"	222.089842666667	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3H"	3.021828
"436990"	1344.529223	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+NH4"	18.033823
"799441"	2007.776923	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+NH4"	18.033823
"1692496"	681.281523	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4"	18.033823
"342599"	672.7682495	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+NH4"	19.041099
"734288"	1004.3920995	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+NH4"	19.041099
"1490298"	341.1443995	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+NH4"	19.041099
"407158"	1349.484618	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Na"	22.989218
"769776"	2012.732318	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Na"	22.989218
"1617952"	686.236918	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na"	22.989218
"329922"	675.245947	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+Na"	23.996494
"722795"	1006.869797	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+Na"	23.996494
"1476979"	343.622097	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+Na"	23.996494
"1066867"	229.417156666667	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2H+Na"	25.00377
"1272719"	696.281186	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+CH3OH+H"	33.033486
"388574"	1365.458558	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+K"	38.963158
"750663"	2028.706258	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+K"	38.963158
"1552352"	702.210858	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K"	38.963158
"314208"	683.232917	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+K"	39.970434
"696479"	1014.856767	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+K"	39.970434
"1451392"	351.609067	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+K"	39.970434
"241085"	1368.529226	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+ACN+H"	42.033826
"1215981"	705.281526	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+H"	42.033826
"1199865"	353.144401	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+2H"	43.041102
"192735"	1371.46656	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Na-H"	44.97116
"635578"	2034.71426	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Na-H"	44.97116
"1136895"	708.21886	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Na-H"	44.97116
"180186"	686.236918	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Na"	45.978436
"619745"	1017.860768	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Na"	45.978436
"1121064"	354.613068	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Na"	45.978436
"1400824"	236.744470666667	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+2Na"	46.985712
"1437804"	710.260446	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+HCOOH"	47.012746
"230419"	691.26994	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+3H2O+2H"	56.04448
"1516659"	724.31249	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+IsoProp+H"	61.06479
"414155"	694.223888	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Na+K"	61.952376
"775149"	1025.847738	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Na+K"	61.952376
"1670389"	362.600038	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+K"	61.952376
"253627"	1390.511168	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+ACN+Na"	64.015768
"1228520"	727.263468	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+Na"	64.015768
"1718503"	727.286993	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4+HCOOH"	64.039293
"1188234"	244.071784666667	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3Na"	68.967654
"1661408"	732.242388	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+HCOOH"	68.994688
"166084"	1403.41444	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2K-H"	76.91904
"610021"	2066.66214	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2K-H"	76.91904
"1098425"	740.16674	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K-H"	76.91904
"153536"	702.210858	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2K"	77.926316
"593096"	1033.834708	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2K"	77.926316
"1076518"	370.587008	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K"	77.926316
"1105354"	742.181292	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K+H"	78.933592
"1343928"	742.268907	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+DMSO+H"	79.021207
"1013552"	746.308076	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2ACN+H"	83.060376
"1531676"	747.301708	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+IsoProp+Na+H"	84.054008
"997031"	373.657676	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2ACN+2H"	84.067652
"1590442"	748.216328	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K+HCOOH"	84.968628
"1424849"	778.247838	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+CF3COOH"	115.000138
"1151856"	394.170951	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3ACN+2H"	125.094202
"1699222"	795.274385	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4+CF3COOH"	132.026685
"1637058"	800.22978	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+CF3COOH"	136.98208
"1581460"	816.20372	"C04191"	"Dihydrostreptomycin 3-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K+CF3COOH"	152.95602
"815110"	532.1581	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M"	0
"982085"	513.13971	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-H2O-H"	-19.01839
"69232"	353.764790666667	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M-3H"	-3.021828
"508792"	531.150824	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M-3H"	-3.021828
"881490"	176.378757333333	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-3H"	-3.021828
"1883"	531.150824	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M-2H"	-2.014552
"445816"	797.229874	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M-2H"	-2.014552
"819249"	265.071774	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-2H"	-2.014552
"83613"	1063.308924	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M-H"	-1.007276
"526451"	1595.467024	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M-H"	-1.007276
"902068"	531.150824	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-H"	-1.007276
"56442"	1080.335471	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M-2H+NH4"	16.019271
"494911"	1612.493571	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M-2H+NH4"	16.019271
"871626"	548.177371	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-2H+NH4"	16.019271
"36244"	1085.290866	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M-2H+Na"	20.974666
"476896"	1617.448966	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M-2H+Na"	20.974666
"852878"	553.132766	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-2H+Na"	20.974666
"1625327"	553.132766	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Na-2H"	20.974666
"98577"	549.139163	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M-H+Cl"	33.962126
"535220"	815.218213	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M-H+Cl"	33.962126
"928013"	283.060113	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-H+Cl"	33.962126
"273500"	1099.285602	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+Cl"	34.969402
"662641"	1631.443702	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+Cl"	34.969402
"1273461"	567.127502	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Cl"	34.969402
"25264"	1101.264806	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M-2H+K"	36.948606
"465190"	1633.422906	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M-2H+K"	36.948606
"843715"	569.106706	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-2H+K"	36.948606
"1567205"	569.106706	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+K-2H"	36.948606
"952904"	577.156294	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-H+HCOOH"	44.998194
"373305"	1109.314401	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+HCOOH-H"	44.998201
"356095"	1123.330051	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+Hac-H"	59.013851
"1503472"	591.171951	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Hac-H"	59.013851
"965905"	599.138251	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-H+NaCOOH"	66.980151
"118092"	567.127502	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+2Cl"	69.938804
"557653"	833.206552	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+2Cl"	69.938804
"1026452"	301.048452	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2Cl"	69.938804
"1242263"	611.076985	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Br"	78.918885
"1305562"	613.132972	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Cl+HCOOH"	80.974872
"1321964"	635.114929	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Cl+NaCOOH"	102.956829
"913755"	645.143686	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M-H+CF3COOH"	112.985586
"1297027"	681.120364	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Cl+CF3COOH"	148.962264
"1381757"	497.145424	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H-2H2O"	-35.012676
"1395970"	515.1554	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H-H2O"	-17.0027
"292376"	1065.323476	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+H"	1.007276
"685891"	1597.481576	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+H"	1.007276
"1362241"	533.165376	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H"	1.007276
"136224"	533.165376	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+2H"	2.014552
"572502"	799.244426	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+2H"	2.014552
"1041303"	267.086326	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2H"	2.014552
"207019"	355.779342666667	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+3H"	3.021828
"653873"	533.165376	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+3H"	3.021828
"1176013"	178.393309333333	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+3H"	3.021828
"437464"	1082.350023	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+NH4"	18.033823
"799188"	1614.508123	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+NH4"	18.033823
"1692968"	550.191923	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+NH4"	18.033823
"341250"	541.6786495	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+H+NH4"	19.041099
"733669"	807.7576995	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+H+NH4"	19.041099
"1490408"	275.5995995	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H+NH4"	19.041099
"407754"	1087.305418	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+Na"	22.989218
"764981"	1619.463518	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+Na"	22.989218
"1616360"	555.147318	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Na"	22.989218
"328586"	544.156347	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+H+Na"	23.996494
"722687"	810.235397	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+H+Na"	23.996494
"1475434"	278.077297	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H+Na"	23.996494
"1065884"	185.720623333333	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2H+Na"	25.00377
"1268655"	565.191586	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+CH3OH+H"	33.033486
"387591"	1103.279358	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+K"	38.963158
"752596"	1635.437458	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+K"	38.963158
"1553190"	571.121258	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+K"	38.963158
"313044"	552.143317	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+H+K"	39.970434
"696589"	818.222367	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+H+K"	39.970434
"1451502"	286.064267	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H+K"	39.970434
"243383"	1106.350026	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+ACN+H"	42.033826
"1220465"	574.191926	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+ACN+H"	42.033826
"1199975"	287.599601	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+ACN+2H"	43.041102
"195032"	1109.28736	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+2Na-H"	44.97116
"633865"	1641.44546	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+2Na-H"	44.97116
"1138098"	577.12926	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2Na-H"	44.97116
"180294"	555.147318	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+2Na"	45.978436
"616938"	821.226368	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+2Na"	45.978436
"1118988"	289.068268	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2Na"	45.978436
"1402514"	193.047937333333	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H+2Na"	46.985712
"1434634"	579.170846	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H+HCOOH"	47.012746
"228707"	560.18034	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+3H2O+2H"	56.04448
"1514582"	593.22289	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+IsoProp+H"	61.06479
"410982"	563.134288	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+Na+K"	61.952376
"772705"	829.213338	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+Na+K"	61.952376
"1669404"	297.055238	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Na+K"	61.952376
"253007"	1128.331968	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+ACN+Na"	64.015768
"1228264"	596.173868	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+ACN+Na"	64.015768
"1716427"	596.197393	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+NH4+HCOOH"	64.039293
"1185065"	200.375251333333	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+3Na"	68.967654
"1660425"	601.152788	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Na+HCOOH"	68.994688
"165101"	1141.23524	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+2K-H"	76.91904
"610130"	1673.39334	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+2K-H"	76.91904
"1099023"	609.07714	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2K-H"	76.91904
"156202"	571.121258	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"2M+2K"	77.926316
"592111"	837.200308	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"3M+2K"	77.926316
"1071158"	305.042208	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2K"	77.926316
"1105463"	611.091692	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2K+H"	78.933592
"1346225"	611.179307	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+DMSO+H"	79.021207
"1015849"	615.218476	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2ACN+H"	83.060376
"1530693"	616.212108	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+IsoProp+Na+H"	84.054008
"997141"	308.112876	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+2ACN+2H"	84.067652
"1593832"	617.126728	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+K+HCOOH"	84.968628
"1424959"	647.158238	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+H+CF3COOH"	115.000138
"1148687"	328.626151	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+3ACN+2H"	125.094202
"1705892"	664.184785	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+NH4+CF3COOH"	132.026685
"1637169"	669.14018	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+Na+CF3COOH"	136.98208
"1581570"	685.11412	"C04193"	"Flavonol 3-O-D-xylosylgalactoside"	"C26H28O12"	"532.1581"	"M+K+CF3COOH"	152.95602
"816192"	546.1737	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M"	0
"982195"	527.15531	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-H2O-H"	-19.01839
"69342"	363.108524	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M-3H"	-3.021828
"505986"	545.166424	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M-3H"	-3.021828
"881233"	181.050624	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-3H"	-3.021828
"412"	545.166424	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M-2H"	-2.014552
"447021"	818.253274	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M-2H"	-2.014552
"821546"	272.079574	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-2H"	-2.014552
"85910"	1091.340124	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M-H"	-1.007276
"527655"	1637.513824	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M-H"	-1.007276
"902179"	545.166424	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-H"	-1.007276
"56552"	1108.366671	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M-2H+NH4"	16.019271
"493198"	1654.540371	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M-2H+NH4"	16.019271
"871736"	562.192971	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-2H+NH4"	16.019271
"37446"	1113.322066	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M-2H+Na"	20.974666
"478463"	1659.495766	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M-2H+Na"	20.974666
"852624"	567.148366	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-2H+Na"	20.974666
"1625437"	567.148366	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Na-2H"	20.974666
"98687"	563.154763	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M-H+Cl"	33.962126
"538247"	836.241613	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M-H+Cl"	33.962126
"928242"	290.067913	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-H+Cl"	33.962126
"275797"	1127.316802	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+Cl"	34.969402
"663844"	1673.490502	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+Cl"	34.969402
"1274177"	581.143102	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Cl"	34.969402
"23917"	1129.296006	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M-2H+K"	36.948606
"463842"	1675.469706	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M-2H+K"	36.948606
"841638"	583.122306	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-2H+K"	36.948606
"1561846"	583.122306	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+K-2H"	36.948606
"953015"	591.171894	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-H+HCOOH"	44.998194
"374508"	1137.345601	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+HCOOH-H"	44.998201
"357298"	1151.361251	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+Hac-H"	59.013851
"1503946"	605.187551	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Hac-H"	59.013851
"966015"	613.153851	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-H+NaCOOH"	66.980151
"118202"	581.143102	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+2Cl"	69.938804
"557763"	854.229952	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+2Cl"	69.938804
"1026562"	308.056252	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2Cl"	69.938804
"1242251"	625.092585	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Br"	78.918885
"1304820"	627.148572	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Cl+HCOOH"	80.974872
"1320252"	649.130529	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Cl+NaCOOH"	102.956829
"914228"	659.159286	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M-H+CF3COOH"	112.985586
"1297137"	695.135964	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Cl+CF3COOH"	148.962264
"1380406"	511.161024	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H-2H2O"	-35.012676
"1395352"	529.171	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H-H2O"	-17.0027
"293579"	1093.354676	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+H"	1.007276
"687094"	1639.528376	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+H"	1.007276
"1360163"	547.180976	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H"	1.007276
"135239"	547.180976	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+2H"	2.014552
"572612"	820.267826	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+2H"	2.014552
"1043600"	274.094126	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2H"	2.014552
"205912"	365.123076	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+3H"	3.021828
"654347"	547.180976	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+3H"	3.021828
"1176122"	183.065176	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+3H"	3.021828
"438667"	1110.381223	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+NH4"	18.033823
"799660"	1656.554923	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+NH4"	18.033823
"1694173"	564.207523	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+NH4"	18.033823
"342819"	555.6942495	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+H+NH4"	19.041099
"733779"	828.7810995	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+H+NH4"	19.041099
"1488695"	282.6073995	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H+NH4"	19.041099
"407379"	1115.336618	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+Na"	22.989218
"766914"	1661.510318	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+Na"	22.989218
"1616470"	569.162918	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Na"	22.989218
"329185"	558.171947	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+H+Na"	23.996494
"721969"	831.258797	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+H+Na"	23.996494
"1475789"	285.085097	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H+Na"	23.996494
"1065994"	190.39249	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2H+Na"	25.00377
"1269858"	579.207186	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+CH3OH+H"	33.033486
"387701"	1131.310558	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+K"	38.963158
"748330"	1677.484258	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+K"	38.963158
"1552936"	585.136858	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+K"	38.963158
"310475"	566.158917	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+H+K"	39.970434
"696699"	839.245767	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+H+K"	39.970434
"1450518"	293.072067	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H+K"	39.970434
"239118"	1134.381226	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+ACN+H"	42.033826
"1216201"	588.207526	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+ACN+H"	42.033826
"1198992"	294.607401	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+ACN+2H"	43.041102
"195143"	1137.31856	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+2Na-H"	44.97116
"634703"	1683.49226	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+2Na-H"	44.97116
"1136386"	591.14486	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2Na-H"	44.97116
"178217"	569.162918	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+2Na"	45.978436
"617048"	842.249768	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+2Na"	45.978436
"1118369"	296.076068	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2Na"	45.978436
"1400438"	197.719804	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H+2Na"	46.985712
"1435837"	593.186446	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H+HCOOH"	47.012746
"231003"	574.19594	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+3H2O+2H"	56.04448
"1514692"	607.23849	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+IsoProp+H"	61.06479
"409634"	577.149888	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+Na+K"	61.952376
"772817"	850.236738	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+Na+K"	61.952376
"1669514"	304.063038	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Na+K"	61.952376
"253481"	1156.363168	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+ACN+Na"	64.015768
"1227282"	610.189468	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+ACN+Na"	64.015768
"1717630"	610.212993	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+NH4+HCOOH"	64.039293
"1180067"	205.047118	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+3Na"	68.967654
"1659441"	615.168388	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Na+HCOOH"	68.994688
"164118"	1169.26644	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+2K-H"	76.91904
"608052"	1715.44014	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+2K-H"	76.91904
"1096939"	623.09274	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2K-H"	76.91904
"153755"	585.136858	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"2M+2K"	77.926316
"588941"	858.223708	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"3M+2K"	77.926316
"1071267"	312.050008	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2K"	77.926316
"1106666"	625.107292	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2K+H"	78.933592
"1346335"	625.194907	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+DMSO+H"	79.021207
"1017052"	629.234076	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2ACN+H"	83.060376
"1531896"	630.227708	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+IsoProp+Na+H"	84.054008
"998344"	315.120676	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+2ACN+2H"	84.067652
"1593942"	631.142328	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+K+HCOOH"	84.968628
"1421789"	661.173838	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+H+CF3COOH"	115.000138
"1148797"	335.633951	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+3ACN+2H"	125.094202
"1706002"	678.200385	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+NH4+CF3COOH"	132.026685
"1637279"	683.15578	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+Na+CF3COOH"	136.98208
"1578400"	699.12972	"C04194"	"Flavonol 3-O-alpha-L-rhamnosyl-(1-6)-beta-D-glucoside;Flavonol 3-O-rutinoside"	"C27H30O12"	"546.1737"	"M+K+CF3COOH"	152.95602
"808770"	337.1162	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M"	0
"980118"	318.09781	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-H2O-H"	-19.01839
"69453"	223.736857333333	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M-3H"	-3.021828
"503541"	336.108924	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M-3H"	-3.021828
"884623"	111.364790666667	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-3H"	-3.021828
"3197"	336.108924	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M-2H"	-2.014552
"442032"	504.667024	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M-2H"	-2.014552
"821657"	167.550824	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-2H"	-2.014552
"83833"	673.225124	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M-H"	-1.007276
"523394"	1010.341324	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M-H"	-1.007276
"901195"	336.108924	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-H"	-1.007276
"54485"	690.251671	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M-2H+NH4"	16.019271
"494045"	1027.367871	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M-2H+NH4"	16.019271
"868930"	353.135471	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-2H+NH4"	16.019271
"36469"	695.207066	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M-2H+Na"	20.974666
"474938"	1032.323266	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M-2H+Na"	20.974666
"850553"	358.090866	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-2H+Na"	20.974666
"1622269"	358.090866	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Na-2H"	20.974666
"96978"	354.097263	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M-H+Cl"	33.962126
"539458"	522.655363	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M-H+Cl"	33.962126
"929692"	185.539163	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-H+Cl"	33.962126
"269706"	709.201802	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+Cl"	34.969402
"665046"	1046.318002	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+Cl"	34.969402
"1284384"	372.085602	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Cl"	34.969402
"23291"	711.181006	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M-2H+K"	36.948606
"467226"	1048.297206	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M-2H+K"	36.948606
"845028"	374.064806	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-2H+K"	36.948606
"1568516"	374.064806	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+K-2H"	36.948606
"953118"	382.114394	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-H+HCOOH"	44.998194
"375708"	719.230601	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+HCOOH-H"	44.998201
"357405"	733.246251	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+Hac-H"	59.013851
"1505513"	396.130051	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Hac-H"	59.013851
"969406"	404.096351	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-H+NaCOOH"	66.980151
"122686"	372.085602	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+2Cl"	69.938804
"558965"	540.643702	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+2Cl"	69.938804
"1025213"	203.527502	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2Cl"	69.938804
"1242604"	416.035085	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Br"	78.918885
"1308696"	418.091072	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Cl+HCOOH"	80.974872
"1321087"	440.073029	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Cl+NaCOOH"	102.956829
"922726"	450.101786	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M-H+CF3COOH"	112.985586
"1292144"	486.078464	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Cl+CF3COOH"	148.962264
"1375416"	302.103524	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H-2H2O"	-35.012676
"1392910"	320.1135	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H-H2O"	-17.0027
"293689"	675.239676	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+H"	1.007276
"680646"	1012.355876	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+H"	1.007276
"1356994"	338.123476	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H"	1.007276
"127693"	338.123476	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+2H"	2.014552
"568353"	506.681576	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+2H"	2.014552
"1037876"	169.565376	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2H"	2.014552
"207237"	225.751409333333	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+3H"	3.021828
"653363"	338.123476	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+3H"	3.021828
"1172584"	113.379342666667	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+3H"	3.021828
"435864"	692.266223	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+NH4"	18.033823
"799774"	1029.382423	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+NH4"	18.033823
"1695372"	355.150023	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+NH4"	18.033823
"342197"	346.6367495	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+H+NH4"	19.041099
"736076"	515.1948495	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+H+NH4"	19.041099
"1488803"	178.0786495	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H+NH4"	19.041099
"407731"	697.221618	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+Na"	22.989218
"769659"	1034.337818	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+Na"	22.989218
"1613299"	360.105418	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Na"	22.989218
"327709"	349.114447	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+H+Na"	23.996494
"722078"	517.672547	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+H+Na"	23.996494
"1476384"	180.556347	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H+Na"	23.996494
"1066102"	120.706656666667	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2H+Na"	25.00377
"1271426"	370.149686	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+CH3OH+H"	33.033486
"392311"	713.195558	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+K"	38.963158
"753181"	1050.311758	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+K"	38.963158
"1553045"	376.079358	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+K"	38.963158
"310949"	357.101417	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+H+K"	39.970434
"701184"	525.659517	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+H+K"	39.970434
"1450628"	188.543317	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H+K"	39.970434
"241417"	716.266226	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+ACN+H"	42.033826
"1215219"	379.150026	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+ACN+H"	42.033826
"1201289"	190.078651	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+ACN+2H"	43.041102
"198533"	719.20356	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+2Na-H"	44.97116
"639186"	1056.31976	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+2Na-H"	44.97116
"1139413"	382.08736	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2Na-H"	44.97116
"179421"	360.105418	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+2Na"	45.978436
"617886"	528.663518	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+2Na"	45.978436
"1120664"	191.547318	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2Na"	45.978436
"1403457"	128.033970666667	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H+2Na"	46.985712
"1434116"	384.128946	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H+HCOOH"	47.012746
"225640"	365.13844	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+3H2O+2H"	56.04448
"1512608"	398.18099	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+IsoProp+H"	61.06479
"415578"	368.092388	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+Na+K"	61.952376
"774386"	536.650488	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+Na+K"	61.952376
"1667070"	199.534288	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Na+K"	61.952376
"252497"	738.248168	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+ACN+Na"	64.015768
"1227030"	401.131968	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+ACN+Na"	64.015768
"1719927"	401.155493	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+NH4+HCOOH"	64.039293
"1180539"	135.361284666667	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+3Na"	68.967654
"1659553"	406.110888	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Na+HCOOH"	68.994688
"163497"	751.15144	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+2K-H"	76.91904
"608162"	1088.26764	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+2K-H"	76.91904
"1094862"	414.03524	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2K-H"	76.91904
"150584"	376.079358	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"2M+2K"	77.926316
"589052"	544.637458	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"3M+2K"	77.926316
"1075756"	207.521258	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2K"	77.926316
"1108967"	416.049792	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2K+H"	78.933592
"1349482"	416.137407	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+DMSO+H"	79.021207
"1018255"	420.176576	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2ACN+H"	83.060376
"1534193"	421.170208	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+IsoProp+Na+H"	84.054008
"1000642"	210.591926	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+2ACN+2H"	84.067652
"1595143"	422.084828	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+K+HCOOH"	84.968628
"1424084"	452.116338	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+H+CF3COOH"	115.000138
"1155465"	231.105201	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+3ACN+2H"	125.094202
"1702832"	469.142885	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+NH4+CF3COOH"	132.026685
"1640672"	474.09828	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+Na+CF3COOH"	136.98208
"1574138"	490.07222	"C04197"	"Indole-3-acetyl-beta-1-D-glucoside;1-O-(Indol-3-yl)acetyl-beta-D-glucose"	"C16H19NO7"	"337.1162"	"M+K+CF3COOH"	152.95602
"808880"	594.1585	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M"	0
"980228"	575.14011	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"67376"	395.098390666667	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"504016"	593.151224	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"883639"	197.045557333333	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"348"	593.151224	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"440925"	890.230474	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"820308"	296.071974	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"85035"	1187.309724	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"522411"	1781.468224	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"900212"	593.151224	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"53502"	1204.336271	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"491239"	1798.494771	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"868676"	610.177771	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"38764"	1209.291666	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"477232"	1803.450166	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"852846"	615.133166	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1620556"	615.133166	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"97818"	611.139563	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"540661"	908.218813	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"931259"	314.060313	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"269209"	1223.286402	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"664063"	1817.444902	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1284127"	629.127902	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"21214"	1225.265606	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"460776"	1819.424106	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"844045"	631.107106	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1565346"	631.107106	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"952134"	639.156694	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"372538"	1233.315201	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"354233"	1247.330851	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1500878"	653.172351	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"967327"	661.138651	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"116234"	629.127902	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"555065"	926.207152	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1026781"	332.048652	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1244901"	673.077385	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1306618"	675.133372	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1320833"	697.115329	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"922836"	707.144086	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1297355"	743.120764	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1377713"	559.145824	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1391928"	577.1558	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"293799"	1189.324276	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"686954"	1783.482776	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1360384"	595.165776	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"133275"	595.165776	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"567732"	892.245026	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1039448"	298.086526	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"206253"	397.112942666667	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"656757"	595.165776	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1173425"	199.060109333333	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"438522"	1206.350823	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"799518"	1800.509323	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1692202"	612.192323	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"341576"	603.6790495	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"732905"	900.7582995	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1488913"	306.5997995	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"408458"	1211.306218	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"766405"	1805.464718	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1612316"	617.147718	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"325633"	606.156747	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"721334"	903.235997	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1474061"	309.077497	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1065118"	206.387423333333	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1271535"	627.191986	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"390476"	1227.280158	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"754159"	1821.438658	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1550603"	633.121658	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"304498"	614.143717	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"698013"	911.222967	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1448551"	317.064467	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"240432"	1230.350826	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1213141"	636.192326	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1197024"	318.599801	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"193175"	1233.28816	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"630181"	1827.44666	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1138429"	639.12966	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"178440"	617.147718	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"616903"	914.226968	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1118222"	320.068468	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1401747"	213.714737333333	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1432403"	641.171246	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"225750"	622.18074	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1510896"	655.22329	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"414595"	625.134688	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"772310"	922.213938	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1666814"	328.055438	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"252038"	1252.332768	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1228233"	658.174268	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1720037"	658.197793	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1179273"	221.042051333333	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1662942"	663.153188	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"165429"	1265.23604	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"608272"	1859.39454	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1098251"	671.07754	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"153974"	633.121658	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"585882"	930.200908	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1078053"	336.042408	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1112357"	673.092092	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1349592"	673.179707	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1019825"	677.218876	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1534303"	678.212508	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"1000752"	339.113076	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1595253"	679.127128	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1419819"	709.158638	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1155575"	359.626351	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1702942"	726.185185	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1640782"	731.14058	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1574248"	747.11452	"C04199"	"Isovitexin 2-O-beta-D-glucoside"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"814459"	275.0464	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M"	0
"980338"	256.02801	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-H2O-H"	-19.01839
"63150"	182.356990666667	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M-3H"	-3.021828
"503046"	274.039124	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M-3H"	-3.021828
"880469"	90.6748573333333	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-3H"	-3.021828
"149"	274.039124	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M-2H"	-2.014552
"441887"	411.562324	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M-2H"	-2.014552
"821877"	136.515924	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-2H"	-2.014552
"82960"	549.085524	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M-H"	-1.007276
"522519"	824.131924	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M-H"	-1.007276
"899228"	274.039124	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-H"	-1.007276
"51424"	566.112071	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M-2H+NH4"	16.019271
"490985"	841.158471	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M-2H+NH4"	16.019271
"868786"	291.065671	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-2H+NH4"	16.019271
"39968"	571.067466	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M-2H+Na"	20.974666
"478436"	846.113866	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M-2H+Na"	20.974666
"854050"	296.021066	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-2H+Na"	20.974666
"1621395"	296.021066	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Na-2H"	20.974666
"96470"	292.027463	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M-H+Cl"	33.962126
"537491"	429.550663	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M-H+Cl"	33.962126
"929183"	154.504263	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-H+Cl"	33.962126
"269198"	585.062202	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+Cl"	34.969402
"664173"	860.108602	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+Cl"	34.969402
"1283143"	310.015802	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Cl"	34.969402
"21324"	587.041406	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M-2H+K"	36.948606
"459792"	862.087806	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M-2H+K"	36.948606
"845977"	311.995006	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-2H+K"	36.948606
"1565456"	311.995006	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+K-2H"	36.948606
"952244"	320.044594	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-H+HCOOH"	44.998194
"372648"	595.091001	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+HCOOH-H"	44.998201
"354343"	609.106651	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+Hac-H"	59.013851
"1503174"	334.060251	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Hac-H"	59.013851
"970717"	342.026551	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-H+NaCOOH"	66.980151
"116344"	310.015802	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+2Cl"	69.938804
"552987"	447.539002	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+2Cl"	69.938804
"1023245"	172.492602	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2Cl"	69.938804
"1242457"	353.965285	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Br"	78.918885
"1305634"	356.021272	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Cl+HCOOH"	80.974872
"1320334"	378.003229	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Cl+NaCOOH"	102.956829
"922946"	388.031986	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M-H+CF3COOH"	112.985586
"1294185"	424.008664	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Cl+CF3COOH"	148.962264
"1376730"	240.033724	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H-2H2O"	-35.012676
"1394226"	258.0437	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H-H2O"	-17.0027
"293545"	551.100076	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+H"	1.007276
"688521"	826.146476	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+H"	1.007276
"1363410"	276.053676	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H"	1.007276
"132292"	276.053676	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+2H"	2.014552
"567962"	413.576876	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+2H"	2.014552
"1039554"	138.530476	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2H"	2.014552
"205633"	184.371542666667	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+3H"	3.021828
"645926"	276.053676	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+3H"	3.021828
"1168427"	92.6894093333333	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+3H"	3.021828
"436080"	568.126623	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+NH4"	18.033823
"795982"	843.173023	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+NH4"	18.033823
"1689032"	293.080223	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+NH4"	18.033823
"341685"	284.5669495	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+H+NH4"	19.041099
"731921"	422.0901495	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+H+NH4"	19.041099
"1489022"	147.0437495	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H+NH4"	19.041099
"406615"	573.082018	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+Na"	22.989218
"766515"	848.128418	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+Na"	22.989218
"1612426"	298.035618	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Na"	22.989218
"326836"	287.044647	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+H+Na"	23.996494
"721932"	424.567847	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+H+Na"	23.996494
"1473078"	149.521447	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H+Na"	23.996494
"1065956"	100.016723333333	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2H+Na"	25.00377
"1271644"	308.079886	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+CH3OH+H"	33.033486
"390584"	589.055958	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+K"	38.963158
"753400"	864.102358	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+K"	38.963158
"1550713"	314.009558	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+K"	38.963158
"306795"	295.031617	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+H+K"	39.970434
"699216"	432.554817	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+H+K"	39.970434
"1449755"	157.508417	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H+K"	39.970434
"240544"	592.126626	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+ACN+H"	42.033826
"1213251"	317.080226	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+ACN+H"	42.033826
"1197498"	159.043751	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+ACN+2H"	43.041102
"191096"	595.06396	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+2Na-H"	44.97116
"632478"	870.11036	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+2Na-H"	44.97116
"1134892"	320.01756	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2Na-H"	44.97116
"180736"	298.035618	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+2Na"	45.978436
"619203"	435.558818	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+2Na"	45.978436
"1120520"	160.512418	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2Na"	45.978436
"1401854"	107.344037333333	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H+2Na"	46.985712
"1432148"	322.059146	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H+HCOOH"	47.012746
"221112"	303.06864	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+3H2O+2H"	56.04448
"1511006"	336.11119	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+IsoProp+H"	61.06479
"411788"	306.022588	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+Na+K"	61.952376
"771327"	443.545788	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+Na+K"	61.952376
"1667287"	168.499388	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Na+K"	61.952376
"251624"	614.108568	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+ACN+Na"	64.015768
"1226639"	339.062168	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+ACN+Na"	64.015768
"1716867"	339.085693	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+NH4+HCOOH"	64.039293
"1180758"	114.671351333333	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+3Na"	68.967654
"1659770"	344.041088	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Na+HCOOH"	68.994688
"166632"	627.01184	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+2K-H"	76.91904
"608381"	902.05824	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+2K-H"	76.91904
"1093987"	351.96544	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2K-H"	76.91904
"146432"	314.009558	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"2M+2K"	77.926316
"588177"	451.532758	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"3M+2K"	77.926316
"1071967"	176.486358	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2K"	77.926316
"1108093"	353.979992	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2K+H"	78.933592
"1343384"	354.067607	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+DMSO+H"	79.021207
"1016288"	358.106776	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2ACN+H"	83.060376
"1536600"	359.100408	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+IsoProp+Na+H"	84.054008
"1001955"	179.557026	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+2ACN+2H"	84.067652
"1597550"	360.015028	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+K+HCOOH"	84.968628
"1424304"	390.046538	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+H+CF3COOH"	115.000138
"1155685"	200.070301	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+3ACN+2H"	125.094202
"1703052"	407.073085	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+NH4+CF3COOH"	132.026685
"1640892"	412.02848	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+Na+CF3COOH"	136.98208
"1574358"	428.00242	"C04201"	"L-Tyrosine methyl ester 4-sulfate"	"C10H13NO6S"	"275.0464"	"M+K+CF3COOH"	152.95602
"814207"	136.1	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M"	0
"976075"	117.08161	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-H2O-H"	-19.01839
"71969"	89.7260573333333	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M-3H"	-3.021828
"509343"	135.092724	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M-3H"	-3.021828
"886050"	44.3593906666667	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-3H"	-3.021828
"3532"	135.092724	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M-2H"	-2.014552
"444183"	203.142724	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M-2H"	-2.014552
"823078"	67.042724	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-2H"	-2.014552
"83433"	271.192724	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M-H"	-1.007276
"520811"	407.292724	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M-H"	-1.007276
"898250"	135.092724	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-H"	-1.007276
"51535"	288.219271	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M-2H+NH4"	16.019271
"488909"	424.319271	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M-2H+NH4"	16.019271
"869991"	152.119271	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-2H+NH4"	16.019271
"37893"	293.174666	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M-2H+Na"	20.974666
"475269"	429.274666	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M-2H+Na"	20.974666
"851974"	157.074666	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-2H+Na"	20.974666
"1621510"	157.074666	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Na-2H"	20.974666
"96942"	153.081063	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M-H+Cl"	33.962126
"537596"	221.131063	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M-H+Cl"	33.962126
"930023"	85.031063	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-H+Cl"	33.962126
"276238"	307.169402	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+Cl"	34.969402
"669757"	443.269402	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+Cl"	34.969402
"1283252"	171.069402	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Cl"	34.969402
"23622"	309.148606	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M-2H+K"	36.948606
"462089"	445.248606	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M-2H+K"	36.948606
"843172"	173.048606	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-2H+K"	36.948606
"1565566"	173.048606	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+K-2H"	36.948606
"951261"	181.098194	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-H+HCOOH"	44.998194
"374947"	317.198201	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+HCOOH-H"	44.998201
"354453"	331.213851	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+Hac-H"	59.013851
"1500004"	195.113851	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Hac-H"	59.013851
"968642"	203.080151	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-H+NaCOOH"	66.980151
"116453"	171.069402	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+2Cl"	69.938804
"553460"	239.119402	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+2Cl"	69.938804
"1027001"	103.019402	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2Cl"	69.938804
"1243297"	215.018885	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Br"	78.918885
"1305138"	217.074872	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Cl+HCOOH"	80.974872
"1330543"	239.056829	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Cl+NaCOOH"	102.956829
"919777"	249.085586	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M-H+CF3COOH"	112.985586
"1301596"	285.062264	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Cl+CF3COOH"	148.962264
"1376841"	101.087324	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H-2H2O"	-35.012676
"1394336"	119.0973	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H-H2O"	-17.0027
"296210"	273.207276	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+H"	1.007276
"687173"	409.307276	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+H"	1.007276
"1358420"	137.107276	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H"	1.007276
"133495"	137.107276	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+2H"	2.014552
"569775"	205.157276	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+2H"	2.014552
"1041854"	69.057276	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2H"	2.014552
"206838"	91.7406093333333	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+3H"	3.021828
"651505"	137.107276	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+3H"	3.021828
"1170724"	46.3739426666667	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+3H"	3.021828
"436920"	290.233823	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+NH4"	18.033823
"796092"	426.333823	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+NH4"	18.033823
"1693516"	154.133823	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+NH4"	18.033823
"342888"	145.6205495	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+H+NH4"	19.041099
"734948"	213.6705495	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+H+NH4"	19.041099
"1491562"	77.5705495	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H+NH4"	19.041099
"406362"	295.189218	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+Na"	22.989218
"767718"	431.289218	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+Na"	22.989218
"1618004"	159.089218	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Na"	22.989218
"329256"	148.098247	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+H+Na"	23.996494
"722575"	216.148247	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+H+Na"	23.996494
"1476712"	80.048247	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H+Na"	23.996494
"1068380"	53.7012566666667	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2H+Na"	25.00377
"1271638"	169.133486	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+CH3OH+H"	33.033486
"392154"	311.163158	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+K"	38.963158
"752781"	447.263158	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+K"	38.963158
"1550823"	175.063158	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+K"	38.963158
"306905"	156.085217	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+H+K"	39.970434
"703337"	224.135217	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+H+K"	39.970434
"1455332"	88.035217	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H+K"	39.970434
"243934"	314.233826	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+ACN+H"	42.033826
"1217733"	178.133826	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+ACN+H"	42.033826
"1201618"	89.570551	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+ACN+2H"	43.041102
"195582"	317.17116	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+2Na-H"	44.97116
"633682"	453.27116	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+2Na-H"	44.97116
"1138649"	181.07116	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2Na-H"	44.97116
"179752"	159.089218	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+2Na"	45.978436
"617124"	227.139218	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+2Na"	45.978436
"1120264"	91.039218	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2Na"	45.978436
"1400874"	61.0285706666667	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H+2Na"	46.985712
"1430806"	183.112746	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H+HCOOH"	47.012746
"221593"	164.12224	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+3H2O+2H"	56.04448
"1512938"	197.16479	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+IsoProp+H"	61.06479
"409348"	167.076188	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+Na+K"	61.952376
"771437"	235.126188	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+Na+K"	61.952376
"1667768"	99.026188	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Na+K"	61.952376
"252581"	336.215768	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+ACN+Na"	64.015768
"1232465"	200.115768	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+ACN+Na"	64.015768
"1716977"	200.139293	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+NH4+HCOOH"	64.039293
"1185615"	68.3558846666667	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+3Na"	68.967654
"1659880"	205.094688	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Na+HCOOH"	68.994688
"166744"	349.11904	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+2K-H"	76.91904
"604120"	485.21904	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+2K-H"	76.91904
"1091913"	213.01904	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2K-H"	76.91904
"149823"	175.063158	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"2M+2K"	77.926316
"592669"	243.113158	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"3M+2K"	77.926316
"1070619"	107.013158	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2K"	77.926316
"1102736"	215.033592	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2K+H"	78.933592
"1346775"	215.121207	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+DMSO+H"	79.021207
"1014213"	219.160376	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2ACN+H"	83.060376
"1527964"	220.154008	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+IsoProp+Na+H"	84.054008
"1003157"	110.083826	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+2ACN+2H"	84.067652
"1599848"	221.068628	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+K+HCOOH"	84.968628
"1425507"	251.100138	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+H+CF3COOH"	115.000138
"1152517"	130.597101	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+3ACN+2H"	125.094202
"1699884"	268.126685	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+NH4+CF3COOH"	132.026685
"1634927"	273.08208	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+Na+CF3COOH"	136.98208
"1578844"	289.05602	"C04203"	"NN-Dimethyl-14-phenylenediamine;NN-Dimethyl-p-phenylenediamine;p-Amino-NN-dimethylaniline"	"C8H12N2"	"136.1"	"M+K+CF3COOH"	152.95602
"803011"	241.0586	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M"	0
"977274"	222.04021	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-H2O-H"	-19.01839
"70985"	159.698457333333	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M-3H"	-3.021828
"508358"	240.051324	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M-3H"	-3.021828
"882876"	79.3455906666667	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-3H"	-3.021828
"6917"	240.051324	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M-2H"	-2.014552
"448664"	360.580624	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M-2H"	-2.014552
"825371"	119.522024	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-2H"	-2.014552
"91921"	481.109924	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M-H"	-1.007276
"529295"	722.168524	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M-H"	-1.007276
"907098"	240.051324	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-H"	-1.007276
"59288"	498.136471	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M-2H+NH4"	16.019271
"496662"	739.195071	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M-2H+NH4"	16.019271
"873373"	257.077871	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-2H+NH4"	16.019271
"39087"	503.091866	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M-2H+Na"	20.974666
"483028"	744.150466	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M-2H+Na"	20.974666
"852082"	262.033266	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-2H+Na"	20.974666
"1621249"	262.033266	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Na-2H"	20.974666
"95957"	258.039663	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M-H+Cl"	33.962126
"535519"	378.568963	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M-H+Cl"	33.962126
"927616"	137.510363	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-H+Cl"	33.962126
"268074"	517.086602	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+Cl"	34.969402
"661479"	758.145202	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+Cl"	34.969402
"1272925"	276.028002	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Cl"	34.969402
"16069"	519.065806	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M-2H+K"	36.948606
"456114"	760.124406	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M-2H+K"	36.948606
"833021"	278.007206	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-2H+K"	36.948606
"1556232"	278.007206	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+K-2H"	36.948606
"943426"	286.056794	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-H+HCOOH"	44.998194
"364112"	527.115401	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+HCOOH-H"	44.998201
"347997"	541.131051	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+Hac-H"	59.013851
"1493671"	300.072451	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Hac-H"	59.013851
"959995"	308.038751	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-H+NaCOOH"	66.980151
"111817"	276.028002	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+2Cl"	69.938804
"551746"	396.557302	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+2Cl"	69.938804
"1022003"	155.498702	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2Cl"	69.938804
"1244135"	319.977485	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Br"	78.918885
"1304470"	322.033472	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Cl+HCOOH"	80.974872
"1332840"	344.015429	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Cl+NaCOOH"	102.956829
"919887"	354.044186	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M-H+CF3COOH"	112.985586
"1299884"	390.020864	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Cl+CF3COOH"	148.962264
"1378045"	206.045924	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H-2H2O"	-35.012676
"1394447"	224.0559	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H-H2O"	-17.0027
"294134"	483.124476	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+H"	1.007276
"686554"	724.183076	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+H"	1.007276
"1361812"	242.065876	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H"	1.007276
"133606"	242.065876	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+2H"	2.014552
"567697"	362.595176	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+2H"	2.014552
"1040143"	121.536576	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2H"	2.014552
"208773"	161.713009333333	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+3H"	3.021828
"654896"	242.065876	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+3H"	3.021828
"1166461"	81.3601426666667	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+3H"	3.021828
"436666"	500.151023	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+NH4"	18.033823
"796202"	741.209623	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+NH4"	18.033823
"1692533"	259.092423	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+NH4"	18.033823
"340812"	250.5791495	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+H+NH4"	19.041099
"734329"	371.1084495	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+H+NH4"	19.041099
"1491551"	130.0498495	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H+NH4"	19.041099
"404645"	505.106418	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+Na"	22.989218
"769165"	746.165018	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+Na"	22.989218
"1616654"	264.047818	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Na"	22.989218
"327056"	253.056847	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+H+Na"	23.996494
"721425"	373.586147	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+H+Na"	23.996494
"1475242"	132.527547	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H+Na"	23.996494
"1066786"	88.6874566666667	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2H+Na"	25.00377
"1271384"	274.092086	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+CH3OH+H"	33.033486
"391535"	521.080358	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+K"	38.963158
"751068"	762.138958	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+K"	38.963158
"1551662"	280.021758	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+K"	38.963158
"305921"	261.043817	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+H+K"	39.970434
"695060"	381.573117	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+H+K"	39.970434
"1452162"	140.514517	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H+K"	39.970434
"244043"	524.151026	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+ACN+H"	42.033826
"1220030"	283.092426	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+ACN+H"	42.033826
"1201725"	142.049851	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+ACN+2H"	43.041102
"196785"	527.08836	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+2Na-H"	44.97116
"637438"	768.14696	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+2Na-H"	44.97116
"1138759"	286.02976	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2Na-H"	44.97116
"179862"	264.047818	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+2Na"	45.978436
"619422"	384.577118	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+2Na"	45.978436
"1124021"	143.518518	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2Na"	45.978436
"1403536"	96.0147706666667	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H+2Na"	46.985712
"1435288"	288.071346	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H+HCOOH"	47.012746
"224983"	269.08084	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+3H2O+2H"	56.04448
"1514141"	302.12339	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+IsoProp+H"	61.06479
"411645"	272.034788	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+Na+K"	61.952376
"774097"	392.564088	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+Na+K"	61.952376
"1667512"	151.505488	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Na+K"	61.952376
"253301"	546.132968	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+ACN+Na"	64.015768
"1229655"	305.074368	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+ACN+Na"	64.015768
"1717084"	305.097893	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+NH4+HCOOH"	64.039293
"1186818"	103.342084666667	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+3Na"	68.967654
"1658897"	310.053288	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Na+HCOOH"	68.994688
"166855"	559.03624	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+2K-H"	76.91904
"602770"	800.09484	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+2K-H"	76.91904
"1089105"	317.97764	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2K-H"	76.91904
"145921"	280.021758	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"2M+2K"	77.926316
"592779"	400.551058	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"3M+2K"	77.926316
"1070730"	159.492458	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2K"	77.926316
"1103939"	319.992192	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2K+H"	78.933592
"1347978"	320.079807	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+DMSO+H"	79.021207
"1014323"	324.118976	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2ACN+H"	83.060376
"1529167"	325.112608	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+IsoProp+Na+H"	84.054008
"1003147"	162.563126	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+2ACN+2H"	84.067652
"1599958"	326.027228	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+K+HCOOH"	84.968628
"1425617"	356.058738	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+H+CF3COOH"	115.000138
"1155908"	183.076401	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+3ACN+2H"	125.094202
"1699994"	373.085285	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+NH4+CF3COOH"	132.026685
"1634912"	378.04068	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+Na+CF3COOH"	136.98208
"1571663"	394.01462	"C04204"	"N-(23-Dihydroxybenzoyl)-L-serine;23-Dihydroxy-N-benzoyl-L-serine;23-Dihydroxybenzoylserine"	"C10H11NO6"	"241.0586"	"M+K+CF3COOH"	152.95602
"808225"	246.9803	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M"	0
"976655"	227.96191	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-H2O-H"	-19.01839
"68908"	163.646257333333	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M-3H"	-3.021828
"508468"	245.973024	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M-3H"	-3.021828
"882257"	81.3194906666667	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-3H"	-3.021828
"7027"	245.973024	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M-2H"	-2.014552
"444400"	369.463174	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M-2H"	-2.014552
"823294"	122.482874	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-2H"	-2.014552
"88751"	492.953324	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M-H"	-1.007276
"522845"	739.933624	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M-H"	-1.007276
"901742"	245.973024	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-H"	-1.007276
"53931"	509.979871	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M-2H+NH4"	16.019271
"492397"	756.960171	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M-2H+NH4"	16.019271
"872390"	262.999571	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-2H+NH4"	16.019271
"40291"	514.935266	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M-2H+Na"	20.974666
"482047"	761.915566	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M-2H+Na"	20.974666
"857662"	267.954966	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-2H+Na"	20.974666
"1622820"	267.954966	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Na-2H"	20.974666
"96431"	263.961363	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M-H+Cl"	33.962126
"536722"	387.451513	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M-H+Cl"	33.962126
"928535"	140.471213	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-H+Cl"	33.962126
"269520"	528.930002	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+Cl"	34.969402
"660981"	775.910302	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+Cl"	34.969402
"1273133"	281.949702	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Cl"	34.969402
"17033"	530.909206	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M-2H+K"	36.948606
"456346"	777.889506	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M-2H+K"	36.948606
"833297"	283.928906	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-2H+K"	36.948606
"1558127"	283.928906	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+K-2H"	36.948606
"943943"	291.978494	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-H+HCOOH"	44.998194
"362766"	538.958801	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+HCOOH-H"	44.998201
"349202"	552.974451	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+Hac-H"	59.013851
"1494023"	305.994151	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Hac-H"	59.013851
"959743"	313.960451	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-H+NaCOOH"	66.980151
"111932"	281.949702	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+2Cl"	69.938804
"550884"	405.439852	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+2Cl"	69.938804
"1023938"	158.459552	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2Cl"	69.938804
"1242788"	325.899185	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Br"	78.918885
"1305964"	327.955172	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Cl+HCOOH"	80.974872
"1330034"	349.937129	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Cl+NaCOOH"	102.956829
"917810"	359.965886	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M-H+CF3COOH"	112.985586
"1304132"	395.942564	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Cl+CF3COOH"	148.962264
"1379249"	211.967624	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H-2H2O"	-35.012676
"1394557"	229.9776	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H-H2O"	-17.0027
"295338"	494.967876	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+H"	1.007276
"687758"	741.948176	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+H"	1.007276
"1364109"	247.987576	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H"	1.007276
"133717"	247.987576	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+2H"	2.014552
"572184"	371.477726	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+2H"	2.014552
"1047544"	124.497426	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2H"	2.014552
"209976"	165.660809333333	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+3H"	3.021828
"655006"	247.987576	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+3H"	3.021828
"1170947"	83.3340426666667	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+3H"	3.021828
"428750"	511.994423	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+NH4"	18.033823
"794122"	758.974723	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+NH4"	18.033823
"1688268"	265.014123	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+NH4"	18.033823
"338730"	256.5008495	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+H+NH4"	19.041099
"733344"	379.9909995	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+H+NH4"	19.041099
"1491782"	133.0106995	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H+NH4"	19.041099
"403658"	516.949818	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+Na"	22.989218
"765746"	763.930118	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+Na"	22.989218
"1616886"	269.969518	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Na"	22.989218
"327895"	258.978547	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+H+Na"	23.996494
"722022"	382.468697	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+H+Na"	23.996494
"1475591"	135.488397	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H+Na"	23.996494
"1067788"	90.6613566666667	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2H+Na"	25.00377
"1271616"	280.013786	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+CH3OH+H"	33.033486
"392171"	532.923758	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+K"	38.963158
"748992"	779.904058	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+K"	38.963158
"1553229"	285.943458	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+K"	38.963158
"307124"	266.965517	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+H+K"	39.970434
"696264"	390.455667	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+H+K"	39.970434
"1451178"	143.475367	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H+K"	39.970434
"244151"	535.994426	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+ACN+H"	42.033826
"1215766"	289.014126	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+ACN+H"	42.033826
"1202929"	145.010701	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+ACN+2H"	43.041102
"196529"	538.93176	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+2Na-H"	44.97116
"637546"	785.91206	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+2Na-H"	44.97116
"1136682"	291.95146	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2Na-H"	44.97116
"177787"	269.969518	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+2Na"	45.978436
"620627"	393.459668	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+2Na"	45.978436
"1121946"	146.479368	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2Na"	45.978436
"1403285"	97.9886706666667	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H+2Na"	46.985712
"1438684"	293.993046	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H+HCOOH"	47.012746
"226191"	275.00254	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+3H2O+2H"	56.04448
"1514253"	308.04509	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+IsoProp+H"	61.06479
"411026"	277.956488	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+Na+K"	61.952376
"774937"	401.446638	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+Na+K"	61.952376
"1667015"	154.466338	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Na+K"	61.952376
"254869"	557.976368	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+ACN+Na"	64.015768
"1231592"	310.996068	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+ACN+Na"	64.015768
"1716104"	311.019593	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+NH4+HCOOH"	64.039293
"1184742"	105.315984666667	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+3Na"	68.967654
"1659009"	315.974988	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Na+HCOOH"	68.994688
"164777"	570.87964	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+2K-H"	76.91904
"599602"	817.85994	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+2K-H"	76.91904
"1088851"	323.89934	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2K-H"	76.91904
"146761"	285.943458	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"2M+2K"	77.926316
"586328"	409.433608	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"3M+2K"	77.926316
"1074121"	162.453308	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2K"	77.926316
"1107330"	325.913892	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2K+H"	78.933592
"1344809"	326.001507	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+DMSO+H"	79.021207
"1015526"	330.040676	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2ACN+H"	83.060376
"1533652"	331.034308	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+IsoProp+Na+H"	84.054008
"1003378"	165.523976	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+2ACN+2H"	84.067652
"1597880"	331.948928	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+K+HCOOH"	84.968628
"1425727"	361.980438	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+H+CF3COOH"	115.000138
"1156018"	186.037251	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+3ACN+2H"	125.094202
"1698278"	379.006985	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+NH4+CF3COOH"	132.026685
"1635025"	383.96238	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+Na+CF3COOH"	136.98208
"1571773"	399.93632	"C04205"	"N-(34-Dichlorophenyl)-malonamate"	"C9H7Cl2NO3"	"246.9803"	"M+K+CF3COOH"	152.95602
"809428"	257.0688	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M"	0
"977494"	238.05041	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-H2O-H"	-19.01839
"69018"	170.371924	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M-3H"	-3.021828
"505296"	256.061524	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M-3H"	-3.021828
"883097"	84.682324	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-3H"	-3.021828
"7137"	256.061524	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M-2H"	-2.014552
"444510"	384.595924	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M-2H"	-2.014552
"825591"	127.527124	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-2H"	-2.014552
"87767"	513.130324	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M-H"	-1.007276
"528424"	770.199124	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M-H"	-1.007276
"901855"	256.061524	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-H"	-1.007276
"59147"	530.156871	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M-2H+NH4"	16.019271
"494695"	787.225671	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M-2H+NH4"	16.019271
"873593"	273.088071	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-2H+NH4"	16.019271
"36391"	535.112266	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M-2H+Na"	20.974666
"482157"	792.181066	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M-2H+Na"	20.974666
"857772"	278.043466	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-2H+Na"	20.974666
"1619650"	278.043466	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Na-2H"	20.974666
"96541"	274.049863	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M-H+Cl"	33.962126
"535740"	402.584263	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M-H+Cl"	33.962126
"929255"	145.515463	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-H+Cl"	33.962126
"269631"	549.107002	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+Cl"	34.969402
"660968"	806.175802	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+Cl"	34.969402
"1273114"	292.038202	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Cl"	34.969402
"16171"	551.086206	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M-2H+K"	36.948606
"458039"	808.155006	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M-2H+K"	36.948606
"832965"	294.017406	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-2H+K"	36.948606
"1559330"	294.017406	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+K-2H"	36.948606
"942995"	302.066994	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-H+HCOOH"	44.998194
"362513"	559.135801	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+HCOOH-H"	44.998201
"346396"	573.151451	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+Hac-H"	59.013851
"1496322"	316.082651	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Hac-H"	59.013851
"960216"	324.048951	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-H+NaCOOH"	66.980151
"111312"	292.038202	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+2Cl"	69.938804
"550629"	420.572602	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+2Cl"	69.938804
"1024048"	163.503802	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2Cl"	69.938804
"1246180"	335.987685	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Br"	78.918885
"1307167"	338.043672	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Cl+HCOOH"	80.974872
"1329048"	360.025629	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Cl+NaCOOH"	102.956829
"914272"	370.054386	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M-H+CF3COOH"	112.985586
"1302291"	406.031064	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Cl+CF3COOH"	148.962264
"1379359"	222.056124	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H-2H2O"	-35.012676
"1393573"	240.0661	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H-H2O"	-17.0027
"298205"	515.144876	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+H"	1.007276
"686775"	772.213676	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+H"	1.007276
"1364948"	258.076076	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H"	1.007276
"137107"	258.076076	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+2H"	2.014552
"573388"	386.610476	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+2H"	2.014552
"1045467"	129.541676	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2H"	2.014552
"208992"	172.386476	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+3H"	3.021828
"655116"	258.076076	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+3H"	3.021828
"1164491"	86.696876	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+3H"	3.021828
"428858"	532.171423	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+NH4"	18.033823
"794232"	789.240223	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+NH4"	18.033823
"1686188"	275.102623	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+NH4"	18.033823
"335560"	266.5893495	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+H+NH4"	19.041099
"734183"	395.1237495	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+H+NH4"	19.041099
"1491649"	138.0549495	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H+NH4"	19.041099
"404861"	537.126818	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+Na"	22.989218
"766949"	794.195618	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+Na"	22.989218
"1615048"	280.058018	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Na"	22.989218
"328365"	269.067047	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+H+Na"	23.996494
"722129"	397.601447	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+H+Na"	23.996494
"1475337"	140.532647	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H+Na"	23.996494
"1066396"	94.02419	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2H+Na"	25.00377
"1270992"	290.102286	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+CH3OH+H"	33.033486
"391391"	553.100758	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+K"	38.963158
"751288"	810.169558	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+K"	38.963158
"1550059"	296.031958	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+K"	38.963158
"306141"	277.054017	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+H+K"	39.970434
"698561"	405.588417	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+H+K"	39.970434
"1451289"	148.519617	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H+K"	39.970434
"243169"	556.171426	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+ACN+H"	42.033826
"1216970"	299.102626	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+ACN+H"	42.033826
"1204133"	150.054951	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+ACN+2H"	43.041102
"195909"	559.10876	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+2Na-H"	44.97116
"637656"	816.17756	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+2Na-H"	44.97116
"1136789"	302.03996	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2Na-H"	44.97116
"177892"	280.058018	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+2Na"	45.978436
"616363"	408.592418	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+2Na"	45.978436
"1118043"	151.523618	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2Na"	45.978436
"1401207"	101.351504	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H+2Na"	46.985712
"1438793"	304.081546	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H+HCOOH"	47.012746
"228126"	285.09104	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+3H2O+2H"	56.04448
"1515459"	318.13359	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+IsoProp+H"	61.06479
"410771"	288.044988	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+Na+K"	61.952376
"775046"	416.579388	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+Na+K"	61.952376
"1666880"	159.510588	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Na+K"	61.952376
"258987"	578.153368	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+ACN+Na"	64.015768
"1228422"	321.084568	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+ACN+Na"	64.015768
"1715121"	321.108093	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+NH4+HCOOH"	64.039293
"1181569"	108.678818	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+3Na"	68.967654
"1659119"	326.063488	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Na+HCOOH"	68.994688
"165979"	591.05664	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+2K-H"	76.91904
"605540"	848.12544	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+2K-H"	76.91904
"1092239"	333.98784	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2K-H"	76.91904
"145047"	296.031958	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"2M+2K"	77.926316
"582792"	424.566358	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"3M+2K"	77.926316
"1070098"	167.497558	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2K"	77.926316
"1106347"	336.002392	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2K+H"	78.933592
"1347106"	336.090007	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+DMSO+H"	79.021207
"1017821"	340.129176	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2ACN+H"	83.060376
"1534854"	341.122808	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+IsoProp+Na+H"	84.054008
"1001301"	170.568226	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+2ACN+2H"	84.067652
"1597991"	342.037428	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+K+HCOOH"	84.968628
"1422557"	372.068938	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+H+CF3COOH"	115.000138
"1149568"	191.081501	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+3ACN+2H"	125.094202
"1700214"	389.095485	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+NH4+CF3COOH"	132.026685
"1634295"	394.05088	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+Na+CF3COOH"	136.98208
"1579174"	410.02482	"C04207"	"N-Benzoyl-4-hydroxyanthranilate"	"C14H11NO4"	"257.0688"	"M+K+CF3COOH"	152.95602
"804069"	271.0845	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M"	0
"977604"	252.06611	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-H2O-H"	-19.01839
"70220"	179.715724	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M-3H"	-3.021828
"508686"	270.077224	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M-3H"	-3.021828
"884300"	89.354224	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-3H"	-3.021828
"3967"	270.077224	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M-2H"	-2.014552
"447901"	405.619474	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M-2H"	-2.014552
"823514"	134.534974	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-2H"	-2.014552
"85691"	541.161724	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M-H"	-1.007276
"527441"	812.246224	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M-H"	-1.007276
"905245"	270.077224	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-H"	-1.007276
"57437"	558.188271	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M-2H+NH4"	16.019271
"492619"	829.272771	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M-2H+NH4"	16.019271
"872610"	287.103771	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-2H+NH4"	16.019271
"36502"	563.143666	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M-2H+Na"	20.974666
"480079"	834.228166	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M-2H+Na"	20.974666
"854602"	292.059166	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-2H+Na"	20.974666
"1620853"	292.059166	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Na-2H"	20.974666
"95557"	288.065563	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M-H+Cl"	33.962126
"534469"	423.607813	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M-H+Cl"	33.962126
"929363"	152.523313	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-H+Cl"	33.962126
"268282"	577.138402	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+Cl"	34.969402
"661078"	848.222902	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+Cl"	34.969402
"1273436"	306.053902	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Cl"	34.969402
"16360"	579.117606	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M-2H+K"	36.948606
"456083"	850.202106	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M-2H+K"	36.948606
"833766"	308.033106	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-2H+K"	36.948606
"1557253"	308.033106	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+K-2H"	36.948606
"946229"	316.082694	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-H+HCOOH"	44.998194
"364810"	587.167201	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+HCOOH-H"	44.998201
"346262"	601.182851	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+Hac-H"	59.013851
"1496797"	330.098351	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Hac-H"	59.013851
"962513"	338.064651	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-H+NaCOOH"	66.980151
"112880"	306.053902	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+2Cl"	69.938804
"552077"	441.596152	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+2Cl"	69.938804
"1023794"	170.511652	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2Cl"	69.938804
"1251394"	350.003385	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Br"	78.918885
"1310560"	352.059372	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Cl+HCOOH"	80.974872
"1330251"	374.041329	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Cl+NaCOOH"	102.956829
"915842"	384.070086	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M-H+CF3COOH"	112.985586
"1304106"	420.046764	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Cl+CF3COOH"	148.962264
"1381049"	236.071824	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H-2H2O"	-35.012676
"1393683"	254.0818	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H-H2O"	-17.0027
"298114"	543.176276	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+H"	1.007276
"686885"	814.260776	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+H"	1.007276
"1363236"	272.091776	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H"	1.007276
"137217"	272.091776	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+2H"	2.014552
"573498"	407.634026	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+2H"	2.014552
"1045577"	136.549526	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2H"	2.014552
"210195"	181.730276	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+3H"	3.021828
"655955"	272.091776	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+3H"	3.021828
"1168974"	91.368776	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+3H"	3.021828
"432247"	560.202823	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+NH4"	18.033823
"792148"	831.287323	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+NH4"	18.033823
"1683015"	289.118323	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+NH4"	18.033823
"333848"	280.6050495	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+H+NH4"	19.041099
"735385"	416.1472995	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+H+NH4"	19.041099
"1486289"	145.0627995	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H+NH4"	19.041099
"404971"	565.158218	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+Na"	22.989218
"765966"	836.242718	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+Na"	22.989218
"1616251"	294.073718	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Na"	22.989218
"329204"	283.082747	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+H+Na"	23.996494
"722715"	418.624997	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+H+Na"	23.996494
"1475811"	147.540497	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H+Na"	23.996494
"1066870"	98.69609	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2H+Na"	25.00377
"1271831"	304.117986	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+CH3OH+H"	33.033486
"391136"	581.132158	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+K"	38.963158
"750305"	852.216658	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+K"	38.963158
"1550169"	310.047658	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+K"	38.963158
"304064"	291.069717	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+H+K"	39.970434
"695391"	426.611967	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+H+K"	39.970434
"1451399"	155.527467	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H+K"	39.970434
"242186"	584.202826	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+ACN+H"	42.033826
"1217079"	313.118326	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+ACN+H"	42.033826
"1204972"	157.062801	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+ACN+2H"	43.041102
"200029"	587.14016	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+2Na-H"	44.97116
"637766"	858.22466	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+2Na-H"	44.97116
"1137993"	316.05566	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2Na-H"	44.97116
"178003"	294.073718	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+2Na"	45.978436
"615744"	429.615968	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+2Na"	45.978436
"1117181"	158.531468	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2Na"	45.978436
"1400224"	106.023404	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H+2Na"	46.985712
"1434531"	318.097246	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H+HCOOH"	47.012746
"228236"	299.10674	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+3H2O+2H"	56.04448
"1511558"	332.14929	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+IsoProp+H"	61.06479
"410153"	302.060688	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+Na+K"	61.952376
"775157"	437.602938	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+Na+K"	61.952376
"1667479"	166.518438	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Na+K"	61.952376
"255091"	606.184768	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+ACN+Na"	64.015768
"1227439"	335.100268	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+ACN+Na"	64.015768
"1720698"	335.123793	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+NH4+HCOOH"	64.039293
"1184958"	113.350718	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+3Na"	68.967654
"1659229"	340.079188	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Na+HCOOH"	68.994688
"163903"	619.08804	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+2K-H"	76.91904
"603464"	890.17254	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+2K-H"	76.91904
"1089434"	348.00354	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2K-H"	76.91904
"143334"	310.047658	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"2M+2K"	77.926316
"583266"	445.589908	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"3M+2K"	77.926316
"1073246"	174.505408	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2K"	77.926316
"1103177"	350.018092	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2K+H"	78.933592
"1341748"	350.105707	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+DMSO+H"	79.021207
"1012464"	354.144876	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2ACN+H"	83.060376
"1532778"	355.138508	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+IsoProp+Na+H"	84.054008
"1003598"	177.576076	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+2ACN+2H"	84.067652
"1598100"	356.053128	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+K+HCOOH"	84.968628
"1422667"	386.084638	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+H+CF3COOH"	115.000138
"1152958"	198.089351	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+3ACN+2H"	125.094202
"1698862"	403.111185	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+NH4+CF3COOH"	132.026685
"1635243"	408.06658	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+Na+CF3COOH"	136.98208
"1579284"	424.04052	"C04208"	"N-Benzoyl-4-methoxyanthranilate"	"C15H13NO4"	"271.0845"	"M+K+CF3COOH"	152.95602
"808555"	176.0433	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M"	0
"978807"	157.02491	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-H2O-H"	-19.01839
"67050"	116.354924	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M-3H"	-3.021828
"507703"	175.036024	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M-3H"	-3.021828
"887691"	57.673824	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-3H"	-3.021828
"8451"	175.036024	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M-2H"	-2.014552
"445824"	263.057674	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M-2H"	-2.014552
"824720"	87.014374	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-2H"	-2.014552
"85804"	351.079324	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M-H"	-1.007276
"527551"	527.122624	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M-H"	-1.007276
"906449"	175.036024	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-H"	-1.007276
"56452"	368.105871	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M-2H+NH4"	16.019271
"493822"	544.149171	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M-2H+NH4"	16.019271
"871628"	192.062571	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-2H+NH4"	16.019271
"35154"	373.061266	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M-2H+Na"	20.974666
"479096"	549.104566	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M-2H+Na"	20.974666
"854712"	197.017966	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-2H+Na"	20.974666
"1619872"	197.017966	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Na-2H"	20.974666
"94698"	193.024363	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M-H+Cl"	33.962126
"534543"	281.046013	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M-H+Cl"	33.962126
"927287"	105.002713	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-H+Cl"	33.962126
"269124"	387.056002	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+Cl"	34.969402
"659985"	563.099302	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+Cl"	34.969402
"1272809"	211.012702	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Cl"	34.969402
"16148"	389.035206	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M-2H+K"	36.948606
"455951"	565.078506	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M-2H+K"	36.948606
"836064"	212.991906	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-2H+K"	36.948606
"1559552"	212.991906	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+K-2H"	36.948606
"944520"	221.041494	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-H+HCOOH"	44.998194
"366744"	397.084801	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+HCOOH-H"	44.998201
"348804"	411.100451	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+Hac-H"	59.013851
"1495450"	235.057151	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Hac-H"	59.013851
"961529"	243.023451	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-H+NaCOOH"	66.980151
"111896"	211.012702	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+2Cl"	69.938804
"551821"	299.034352	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+2Cl"	69.938804
"1021960"	122.991052	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2Cl"	69.938804
"1251504"	254.962185	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Br"	78.918885
"1308485"	257.018172	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Cl+HCOOH"	80.974872
"1330361"	279.000129	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Cl+NaCOOH"	102.956829
"915952"	289.028886	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M-H+CF3COOH"	112.985586
"1303242"	325.005564	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Cl+CF3COOH"	148.962264
"1378485"	141.030624	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H-2H2O"	-35.012676
"1393793"	159.0406	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H-H2O"	-17.0027
"293481"	353.093876	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+H"	1.007276
"688088"	529.137176	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+H"	1.007276
"1365532"	177.050576	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H"	1.007276
"137327"	177.050576	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+2H"	2.014552
"573608"	265.072226	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+2H"	2.014552
"1045687"	89.028926	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2H"	2.014552
"210305"	118.369476	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+3H"	3.021828
"656429"	177.050576	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+3H"	3.021828
"1166898"	59.688376	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+3H"	3.021828
"432357"	370.120423	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+NH4"	18.033823
"792258"	546.163723	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+NH4"	18.033823
"1683125"	194.077123	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+NH4"	18.033823
"333229"	185.5638495	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+H+NH4"	19.041099
"734766"	273.5854995	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+H+NH4"	19.041099
"1484940"	97.5421995	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H+NH4"	19.041099
"405081"	375.075818	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+Na"	22.989218
"766076"	551.119118	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+Na"	22.989218
"1614175"	199.032518	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Na"	22.989218
"326397"	188.041547	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+H+Na"	23.996494
"722592"	276.063197	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+H+Na"	23.996494
"1473735"	100.019897	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H+Na"	23.996494
"1062606"	67.01569	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2H+Na"	25.00377
"1269753"	209.076786	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+CH3OH+H"	33.033486
"388328"	391.049758	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+K"	38.963158
"746042"	567.093058	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+K"	38.963158
"1546999"	215.006458	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+K"	38.963158
"301988"	196.028517	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+H+K"	39.970434
"695501"	284.050167	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+H+K"	39.970434
"1446403"	108.006867	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H+K"	39.970434
"237194"	394.120426	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+ACN+H"	42.033826
"1215002"	218.077126	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+ACN+H"	42.033826
"1205082"	109.542201	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+ACN+2H"	43.041102
"199046"	397.05776	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+2Na-H"	44.97116
"638970"	573.10106	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+2Na-H"	44.97116
"1134824"	221.01446	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2Na-H"	44.97116
"174834"	199.032518	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+2Na"	45.978436
"616581"	287.054168	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+2Na"	45.978436
"1117171"	111.010868	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2Na"	45.978436
"1399155"	74.343004	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H+2Na"	46.985712
"1434641"	223.056046	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H+HCOOH"	47.012746
"227617"	204.06554	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+3H2O+2H"	56.04448
"1510211"	237.10809	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+IsoProp+H"	61.06479
"409288"	207.019488	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+Na+K"	61.952376
"771013"	295.041138	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+Na+K"	61.952376
"1666249"	118.997838	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Na+K"	61.952376
"253743"	416.102368	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+ACN+Na"	64.015768
"1228642"	240.059068	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+ACN+Na"	64.015768
"1718621"	240.082593	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+NH4+HCOOH"	64.039293
"1183246"	81.670318	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+3Na"	68.967654
"1657152"	245.037988	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Na+HCOOH"	68.994688
"165105"	429.00564	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+2K-H"	76.91904
"601388"	605.04894	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+2K-H"	76.91904
"1087722"	252.96234	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2K-H"	76.91904
"143444"	215.006458	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"2M+2K"	77.926316
"582647"	303.028108	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"3M+2K"	77.926316
"1070072"	126.984808	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2K"	77.926316
"1105472"	254.976892	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2K+H"	78.933592
"1337484"	255.064507	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+DMSO+H"	79.021207
"1008201"	259.103676	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2ACN+H"	83.060376
"1533979"	260.097308	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+IsoProp+Na+H"	84.054008
"1003586"	130.055476	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+2ACN+2H"	84.067652
"1601491"	261.011928	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+K+HCOOH"	84.968628
"1422777"	291.043438	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+H+CF3COOH"	115.000138
"1153067"	150.568751	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+3ACN+2H"	125.094202
"1697875"	308.069985	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+NH4+CF3COOH"	132.026685
"1634987"	313.02538	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+Na+CF3COOH"	136.98208
"1579394"	328.99932	"C04209"	"3-(Carboxycarbonylamino)-L-alanine;N3-Oxalyl-L-23-diaminopropanoate;L-alpha-Amino-beta-oxalylaminopropionic acid;beta-ODAP"	"C5H8N2O5"	"176.0433"	"M+K+CF3COOH"	152.95602
"806477"	204.111	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M"	0
"977095"	185.09261	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-H2O-H"	-19.01839
"72627"	135.066724	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M-3H"	-3.021828
"508906"	203.103724	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M-3H"	-3.021828
"887801"	67.029724	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-3H"	-3.021828
"8561"	203.103724	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M-2H"	-2.014552
"445934"	305.159224	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M-2H"	-2.014552
"822641"	101.048224	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-2H"	-2.014552
"85914"	407.214724	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M-H"	-1.007276
"528754"	611.325724	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M-H"	-1.007276
"908745"	203.103724	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-H"	-1.007276
"57654"	424.241271	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M-2H+NH4"	16.019271
"493932"	628.352271	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M-2H+NH4"	16.019271
"867728"	220.130271	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-2H+NH4"	16.019271
"34897"	429.196666	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M-2H+Na"	20.974666
"479206"	633.307666	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M-2H+Na"	20.974666
"859196"	225.085666	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-2H+Na"	20.974666
"1621075"	225.085666	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Na-2H"	20.974666
"95780"	221.092063	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M-H+Cl"	33.962126
"537165"	323.147563	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M-H+Cl"	33.962126
"930677"	119.036563	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-H+Cl"	33.962126
"271420"	443.191402	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+Cl"	34.969402
"663122"	647.302402	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+Cl"	34.969402
"1274307"	239.080402	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Cl"	34.969402
"18446"	445.170606	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M-2H+K"	36.948606
"458736"	649.281606	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M-2H+K"	36.948606
"836173"	241.059606	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-2H+K"	36.948606
"1558568"	241.059606	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+K-2H"	36.948606
"947546"	249.109194	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-H+HCOOH"	44.998194
"366854"	453.220201	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+HCOOH-H"	44.998201
"348913"	467.235851	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+Hac-H"	59.013851
"1495924"	263.124851	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Hac-H"	59.013851
"961273"	271.091151	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-H+NaCOOH"	66.980151
"112005"	239.080402	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+2Cl"	69.938804
"551567"	341.135902	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+2Cl"	69.938804
"1022192"	137.024902	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2Cl"	69.938804
"1251614"	283.029885	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Br"	78.918885
"1309323"	285.085872	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Cl+HCOOH"	80.974872
"1328285"	307.067829	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Cl+NaCOOH"	102.956829
"914240"	317.096586	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M-H+CF3COOH"	112.985586
"1303594"	353.073264	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Cl+CF3COOH"	148.962264
"1377501"	169.098324	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H-2H2O"	-35.012676
"1396454"	187.1083	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H-H2O"	-17.0027
"294683"	409.229276	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+H"	1.007276
"682731"	613.340276	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+H"	1.007276
"1360174"	205.118276	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H"	1.007276
"130875"	205.118276	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+2H"	2.014552
"573717"	307.173776	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+2H"	2.014552
"1044701"	103.062776	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2H"	2.014552
"204579"	137.081276	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+3H"	3.021828
"654350"	205.118276	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+3H"	3.021828
"1169194"	69.044276	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+3H"	3.021828
"425905"	426.255823	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+NH4"	18.033823
"785839"	630.366823	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+NH4"	18.033823
"1685422"	222.144823	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+NH4"	18.033823
"332609"	213.6315495	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+H+NH4"	19.041099
"727949"	315.6870495	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+H+NH4"	19.041099
"1485415"	111.5760495	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H+NH4"	19.041099
"404096"	431.211218	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+Na"	22.989218
"765822"	635.322218	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+Na"	22.989218
"1614283"	227.100218	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Na"	22.989218
"322132"	216.109247	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+H+Na"	23.996494
"721611"	318.164747	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+H+Na"	23.996494
"1473845"	114.053747	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H+Na"	23.996494
"1062716"	76.37159	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2H+Na"	25.00377
"1269863"	237.144486	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+CH3OH+H"	33.033486
"388438"	447.185158	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+K"	38.963158
"749432"	651.296158	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+K"	38.963158
"1549297"	243.074158	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+K"	38.963158
"305378"	224.096217	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+H+K"	39.970434
"695611"	326.151717	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+H+K"	39.970434
"1451619"	122.040717	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H+K"	39.970434
"237668"	450.255826	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+ACN+H"	42.033826
"1215114"	246.144826	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+ACN+H"	42.033826
"1203369"	123.576051	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+ACN+2H"	43.041102
"197334"	453.19316	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+2Na-H"	44.97116
"637987"	657.30416	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+2Na-H"	44.97116
"1134934"	249.08216	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2Na-H"	44.97116
"176037"	227.100218	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+2Na"	45.978436
"614138"	329.155718	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+2Na"	45.978436
"1118373"	125.044718	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2Na"	45.978436
"1399105"	83.698904	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H+2Na"	46.985712
"1436938"	251.123746	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H+HCOOH"	47.012746
"224445"	232.13324	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+3H2O+2H"	56.04448
"1508779"	265.17579	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+IsoProp+H"	61.06479
"408870"	235.087188	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+Na+K"	61.952376
"771001"	337.142688	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+Na+K"	61.952376
"1665873"	133.031688	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Na+K"	61.952376
"253853"	472.237768	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+ACN+Na"	64.015768
"1227659"	268.126768	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+ACN+Na"	64.015768
"1718731"	268.150293	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+NH4+HCOOH"	64.039293
"1181170"	91.026218	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+3Na"	68.967654
"1653981"	273.105688	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Na+HCOOH"	68.994688
"161937"	485.14104	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+2K-H"	76.91904
"601498"	689.25204	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+2K-H"	76.91904
"1089290"	281.03004	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2K-H"	76.91904
"143187"	243.074158	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"2M+2K"	77.926316
"583851"	345.129658	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"3M+2K"	77.926316
"1070549"	141.018658	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2K"	77.926316
"1105582"	283.044592	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2K+H"	78.933592
"1340874"	283.132207	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+DMSO+H"	79.021207
"1011589"	287.171376	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2ACN+H"	83.060376
"1526797"	288.165008	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+IsoProp+Na+H"	84.054008
"993976"	144.089326	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+2ACN+2H"	84.067652
"1598320"	289.079628	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+K+HCOOH"	84.968628
"1422887"	319.111138	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+H+CF3COOH"	115.000138
"1149897"	164.602601	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+3ACN+2H"	125.094202
"1697381"	336.137685	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+NH4+CF3COOH"	132.026685
"1635095"	341.09308	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+Na+CF3COOH"	136.98208
"1579504"	357.06702	"C04210"	"N5-(L-1-Carboxyethyl)-L-ornithine"	"C8H16N2O4"	"204.111"	"M+K+CF3COOH"	152.95602
"801848"	303.1583	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M"	0
"977934"	284.13991	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-H2O-H"	-19.01839
"69457"	201.098257333333	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M-3H"	-3.021828
"510110"	302.151024	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M-3H"	-3.021828
"889005"	100.045490666667	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-3H"	-3.021828
"8672"	302.151024	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M-2H"	-2.014552
"444951"	453.730174	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M-2H"	-2.014552
"821658"	150.571874	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-2H"	-2.014552
"84202"	605.309324	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M-H"	-1.007276
"523398"	908.467624	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M-H"	-1.007276
"904482"	302.151024	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-H"	-1.007276
"57764"	622.335871	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M-2H+NH4"	16.019271
"492949"	925.494171	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M-2H+NH4"	16.019271
"870753"	319.177571	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-2H+NH4"	16.019271
"36830"	627.291266	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M-2H+Na"	20.974666
"479316"	930.449566	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M-2H+Na"	20.974666
"860399"	324.132966	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-2H+Na"	20.974666
"1622278"	324.132966	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Na-2H"	20.974666
"95648"	320.139363	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M-H+Cl"	33.962126
"537275"	471.718513	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M-H+Cl"	33.962126
"929695"	168.560213	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-H+Cl"	33.962126
"270072"	641.286002	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+Cl"	34.969402
"664326"	944.444302	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+Cl"	34.969402
"1275268"	338.127702	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Cl"	34.969402
"21108"	643.265206	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M-2H+K"	36.948606
"461762"	946.423506	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M-2H+K"	36.948606
"839564"	340.106906	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-2H+K"	36.948606
"1559773"	340.106906	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+K-2H"	36.948606
"949845"	348.156494	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-H+HCOOH"	44.998194
"366964"	651.314801	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+HCOOH-H"	44.998201
"349390"	665.330451	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+Hac-H"	59.013851
"1497128"	362.172151	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Hac-H"	59.013851
"961386"	370.138451	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-H+NaCOOH"	66.980151
"113574"	338.127702	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+2Cl"	69.938804
"551678"	489.706852	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+2Cl"	69.938804
"1023030"	186.548552	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2Cl"	69.938804
"1248444"	382.077185	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Br"	78.918885
"1313080"	384.133172	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Cl+HCOOH"	80.974872
"1328395"	406.115129	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Cl+NaCOOH"	102.956829
"914714"	416.143886	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M-H+CF3COOH"	112.985586
"1298355"	452.120564	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Cl+CF3COOH"	148.962264
"1380890"	268.145624	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H-2H2O"	-35.012676
"1397292"	286.1556	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H-H2O"	-17.0027
"294793"	607.323876	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+H"	1.007276
"681748"	910.482176	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+H"	1.007276
"1360284"	304.165576	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H"	1.007276
"130985"	304.165576	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+2H"	2.014552
"573827"	455.744726	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+2H"	2.014552
"1042625"	152.586426	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2H"	2.014552
"204445"	203.112809333333	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+3H"	3.021828
"652274"	304.165576	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+3H"	3.021828
"1167118"	102.060042666667	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+3H"	3.021828
"426015"	624.350423	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+NH4"	18.033823
"785790"	927.508723	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+NH4"	18.033823
"1684803"	321.192123	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+NH4"	18.033823
"333813"	312.6788495	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+H+NH4"	19.041099
"727695"	464.2579995	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+H+NH4"	19.041099
"1483337"	161.0996995	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H+NH4"	19.041099
"404206"	629.305818	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+Na"	22.989218
"766296"	932.464118	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+Na"	22.989218
"1614393"	326.147518	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Na"	22.989218
"323335"	315.156547	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+H+Na"	23.996494
"722570"	466.735697	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+H+Na"	23.996494
"1475048"	163.577397	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H+Na"	23.996494
"1062824"	109.387356666667	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2H+Na"	25.00377
"1270946"	336.191786	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+CH3OH+H"	33.033486
"389642"	645.279758	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+K"	38.963158
"749542"	948.438058	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+K"	38.963158
"1552687"	342.121458	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+K"	38.963158
"305488"	323.143517	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+H+K"	39.970434
"695721"	474.722667	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+H+K"	39.970434
"1451729"	171.564367	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H+K"	39.970434
"242515"	648.350426	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+ACN+H"	42.033826
"1218504"	345.192126	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+ACN+H"	42.033826
"1202387"	173.099701	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+ACN+2H"	43.041102
"199630"	651.28776	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+2Na-H"	44.97116
"639190"	954.44606	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+2Na-H"	44.97116
"1135044"	348.12946	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2Na-H"	44.97116
"177240"	326.147518	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+2Na"	45.978436
"614249"	477.726668	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+2Na"	45.978436
"1119212"	174.568368	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2Na"	45.978436
"1399579"	116.714670666667	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H+2Na"	46.985712
"1435955"	350.171046	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H+HCOOH"	47.012746
"227837"	331.18054	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+3H2O+2H"	56.04448
"1510430"	364.22309	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+IsoProp+H"	61.06479
"412302"	334.134488	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+Na+K"	61.952376
"773296"	485.713638	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+Na+K"	61.952376
"1666352"	182.555338	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Na+K"	61.952376
"255057"	670.332368	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+ACN+Na"	64.015768
"1226677"	367.174068	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+ACN+Na"	64.015768
"1715561"	367.197593	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+NH4+HCOOH"	64.039293
"1182372"	124.041984666667	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+3Na"	68.967654
"1654091"	372.152988	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Na+HCOOH"	68.994688
"164233"	683.23564	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+2K-H"	76.91904
"599419"	986.39394	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+2K-H"	76.91904
"1093773"	380.07734	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2K-H"	76.91904
"148403"	342.121458	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"2M+2K"	77.926316
"584689"	493.700608	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"3M+2K"	77.926316
"1069930"	190.542308	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2K"	77.926316
"1104599"	382.091892	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2K+H"	78.933592
"1344263"	382.179507	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+DMSO+H"	79.021207
"1008783"	386.218676	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2ACN+H"	83.060376
"1525449"	387.212308	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+IsoProp+Na+H"	84.054008
"997366"	193.612976	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+2ACN+2H"	84.067652
"1589682"	388.126928	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+K+HCOOH"	84.968628
"1422997"	418.158438	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+H+CF3COOH"	115.000138
"1151099"	214.126251	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+3ACN+2H"	125.094202
"1697027"	435.184985	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+NH4+CF3COOH"	132.026685
"1634479"	440.14038	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+Na+CF3COOH"	136.98208
"1579614"	456.11432	"C04211"	"N(6)-(Indol-3-yl)acetyl-L-lysine;N6-(Indol-3-yl)acetyl-L-lysine"	"C16H21N3O3"	"303.1583"	"M+K+CF3COOH"	152.95602
"803420"	654.3814	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M"	0
"978047"	635.36301	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H2O-H"	-19.01839
"70661"	435.246990666667	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-3H"	-3.021828
"514594"	653.374124	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-3H"	-3.021828
"888020"	217.119857333333	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-3H"	-3.021828
"6595"	653.374124	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H"	-2.014552
"448341"	980.564824	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H"	-2.014552
"821039"	326.183424	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H"	-2.014552
"80061"	1307.755524	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-H"	-1.007276
"524610"	1962.136924	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-H"	-1.007276
"900222"	653.374124	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H"	-1.007276
"53507"	1324.782071	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H+NH4"	16.019271
"494159"	1979.163471	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H+NH4"	16.019271
"870877"	670.400671	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H+NH4"	16.019271
"35495"	1329.737466	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H+Na"	20.974666
"472503"	1984.118866	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H+Na"	20.974666
"849453"	675.356066	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H+Na"	20.974666
"1620322"	675.356066	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na-2H"	20.974666
"96366"	671.362463	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-H+Cl"	33.962126
"537755"	998.553163	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-H+Cl"	33.962126
"928101"	344.171763	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+Cl"	33.962126
"278217"	1343.732202	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Cl"	34.969402
"662252"	1998.113602	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+Cl"	34.969402
"1274040"	689.350802	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl"	34.969402
"21224"	1345.711406	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H+K"	36.948606
"458229"	2000.092806	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H+K"	36.948606
"837125"	691.330006	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H+K"	36.948606
"1561345"	691.330006	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K-2H"	36.948606
"947038"	699.379594	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+HCOOH"	44.998194
"363791"	1353.761001	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+HCOOH-H"	44.998201
"347673"	1367.776651	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Hac-H"	59.013851
"1495047"	713.395251	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Hac-H"	59.013851
"968435"	721.361551	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+NaCOOH"	66.980151
"114063"	689.350802	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2Cl"	69.938804
"565182"	1016.541502	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2Cl"	69.938804
"1036652"	362.160102	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2Cl"	69.938804
"1256594"	733.300285	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Br"	78.918885
"1319047"	735.356272	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl+HCOOH"	80.974872
"1334351"	757.338229	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl+NaCOOH"	102.956829
"926139"	767.366986	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+CF3COOH"	112.985586
"1304170"	803.343664	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl+CF3COOH"	148.962264
"1379550"	619.368724	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H-2H2O"	-35.012676
"1395951"	637.3787	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H-H2O"	-17.0027
"295639"	1309.770076	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H"	1.007276
"687329"	1964.151476	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H"	1.007276
"1363678"	655.388676	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H"	1.007276
"140824"	655.388676	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2H"	2.014552
"578316"	982.579376	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2H"	2.014552
"1049303"	328.197976	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2H"	2.014552
"211736"	437.261542666667	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+3H"	3.021828
"655675"	655.388676	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+3H"	3.021828
"1172708"	219.134409333333	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+3H"	3.021828
"434886"	1326.796623	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+NH4"	18.033823
"796609"	1981.178023	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+NH4"	18.033823
"1687837"	672.415223	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+NH4"	18.033823
"337209"	663.9019495	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H+NH4"	19.041099
"734004"	991.0926495	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H+NH4"	19.041099
"1488925"	336.7112495	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+NH4"	19.041099
"402877"	1331.752018	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Na"	22.989218
"765694"	1986.133418	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+Na"	22.989218
"1615612"	677.370618	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na"	22.989218
"324554"	666.379647	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H+Na"	23.996494
"719528"	993.570347	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H+Na"	23.996494
"1471890"	339.188947	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+Na"	23.996494
"1067683"	226.461723333333	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2H+Na"	25.00377
"1272153"	687.414886	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+CH3OH+H"	33.033486
"390846"	1347.725958	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+K"	38.963158
"749656"	2002.107358	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+K"	38.963158
"1554989"	693.344558	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K"	38.963158
"308882"	674.366617	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H+K"	39.970434
"692555"	1001.557317	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H+K"	39.970434
"1451835"	347.175917	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+K"	39.970434
"240074"	1350.796626	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+ACN+H"	42.033826
"1212423"	696.415226	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+ACN+H"	42.033826
"1197033"	348.711251	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+ACN+2H"	43.041102
"194286"	1353.73396	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2Na-H"	44.97116
"630929"	2008.11536	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2Na-H"	44.97116
"1139532"	699.35256	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2Na-H"	44.97116
"183924"	677.370618	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2Na"	45.978436
"621296"	1004.561318	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2Na"	45.978436
"1124803"	350.179918	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2Na"	45.978436
"1406144"	233.789037333333	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+2Na"	46.985712
"1439352"	701.394146	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+HCOOH"	47.012746
"226860"	682.40364	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+3H2O+2H"	56.04448
"1514923"	715.44619	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+IsoProp+H"	61.06479
"411332"	685.357588	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Na+K"	61.952376
"773420"	1012.548288	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+Na+K"	61.952376
"1666835"	358.166888	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na+K"	61.952376
"252382"	1372.778568	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+ACN+Na"	64.015768
"1227886"	718.397168	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+ACN+Na"	64.015768
"1714584"	718.420693	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+NH4+HCOOH"	64.039293
"1180301"	241.116351333333	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+3Na"	68.967654
"1651288"	723.376088	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na+HCOOH"	68.994688
"166541"	1385.68184	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2K-H"	76.91904
"601726"	2040.06324	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2K-H"	76.91904
"1087332"	731.30044	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2K-H"	76.91904
"150709"	693.344558	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2K"	77.926316
"583099"	1020.535258	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2K"	77.926316
"1069797"	366.153858	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2K"	77.926316
"1102155"	733.314992	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2K+H"	78.933592
"1337205"	733.402607	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+DMSO+H"	79.021207
"1008164"	737.441776	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2ACN+H"	83.060376
"1524953"	738.435408	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+IsoProp+Na+H"	84.054008
"990067"	369.224526	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2ACN+2H"	84.067652
"1595268"	739.350028	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K+HCOOH"	84.968628
"1417648"	769.381538	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+CF3COOH"	115.000138
"1161918"	389.737801	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+3ACN+2H"	125.094202
"1709522"	786.408085	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+NH4+CF3COOH"	132.026685
"1641891"	791.36348	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na+CF3COOH"	136.98208
"1576447"	807.33742	"C04216"	"all-trans-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K+CF3COOH"	152.95602
"810092"	518.2562	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M"	0
"979250"	499.23781	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H2O-H"	-19.01839
"71864"	344.496857333333	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-3H"	-3.021828
"512516"	517.248924	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-3H"	-3.021828
"884850"	171.744790666667	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-3H"	-3.021828
"5611"	517.248924	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H"	-2.014552
"441891"	776.377024	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H"	-2.014552
"820785"	258.120824	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H"	-2.014552
"79074"	1035.505124	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-H"	-1.007276
"519732"	1553.761324	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-H"	-1.007276
"902521"	517.248924	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H"	-1.007276
"54710"	1052.531671	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H+NH4"	16.019271
"493176"	1570.787871	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H+NH4"	16.019271
"870987"	534.275471	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H+NH4"	16.019271
"35605"	1057.487066	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H+Na"	20.974666
"472250"	1575.743266	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H+Na"	20.974666
"849197"	539.230866	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H+Na"	20.974666
"1621404"	539.230866	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na-2H"	20.974666
"95139"	535.237263	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-H+Cl"	33.962126
"537501"	794.365363	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-H+Cl"	33.962126
"927488"	276.109163	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+Cl"	33.962126
"278327"	1071.481802	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Cl"	34.969402
"663821"	1589.738002	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+Cl"	34.969402
"1273178"	553.225602	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl"	34.969402
"18414"	1073.461006	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H+K"	36.948606
"456514"	1591.717206	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H+K"	36.948606
"834683"	555.204806	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H+K"	36.948606
"1563278"	555.204806	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K-2H"	36.948606
"946056"	563.254394	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+HCOOH"	44.998194
"363537"	1081.510601	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+HCOOH-H"	44.998201
"346691"	1095.526251	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Hac-H"	59.013851
"1495158"	577.270051	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Hac-H"	59.013851
"964170"	585.236351	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+NaCOOH"	66.980151
"114172"	553.225602	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2Cl"	69.938804
"565290"	812.353702	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2Cl"	69.938804
"1037007"	294.097502	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2Cl"	69.938804
"1256339"	597.175085	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Br"	78.918885
"1319399"	599.231072	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl+HCOOH"	80.974872
"1335436"	621.213029	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl+NaCOOH"	102.956829
"925883"	631.241786	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+CF3COOH"	112.985586
"1303328"	667.218464	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl+CF3COOH"	148.962264
"1380754"	483.243524	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H-2H2O"	-35.012676
"1394239"	501.2535	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H-H2O"	-17.0027
"295749"	1037.519676	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H"	1.007276
"686346"	1555.775876	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H"	1.007276
"1364881"	519.263476	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H"	1.007276
"139233"	519.263476	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2H"	2.014552
"578426"	778.391576	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2H"	2.014552
"1049412"	260.135376	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2H"	2.014552
"211846"	346.511409333333	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+3H"	3.021828
"654692"	519.263476	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+3H"	3.021828
"1171726"	173.759342666667	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+3H"	3.021828
"432812"	1054.546223	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+NH4"	18.033823
"795990"	1572.802423	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+NH4"	18.033823
"1690134"	536.290023	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+NH4"	18.033823
"336591"	527.7767495	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H+NH4"	19.041099
"729742"	786.9048495	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H+NH4"	19.041099
"1489765"	268.6486495	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+NH4"	19.041099
"407724"	1059.501618	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Na"	22.989218
"768719"	1577.757818	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+Na"	22.989218
"1614628"	541.245418	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na"	22.989218
"323570"	530.254447	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H+Na"	23.996494
"715995"	789.382547	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H+Na"	23.996494
"1473093"	271.126347	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+Na"	23.996494
"1066336"	181.086656666667	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2H+Na"	25.00377
"1268012"	551.289686	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+CH3OH+H"	33.033486
"388769"	1075.475558	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+K"	38.963158
"749766"	1593.731758	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+K"	38.963158
"1553643"	557.219358	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K"	38.963158
"307900"	538.241417	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H+K"	39.970434
"692907"	797.369517	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H+K"	39.970434
"1449759"	279.113317	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+K"	39.970434
"241642"	1078.546226	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+ACN+H"	42.033826
"1213262"	560.290026	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+ACN+H"	42.033826
"1197143"	280.648651	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+ACN+2H"	43.041102
"195482"	1081.48356	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2Na-H"	44.97116
"635043"	1599.73976	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2Na-H"	44.97116
"1136362"	563.22736	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2Na-H"	44.97116
"179662"	541.245418	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2Na"	45.978436
"617761"	800.373518	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2Na"	45.978436
"1120539"	282.117318	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2Na"	45.978436
"1401880"	188.413970666667	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+2Na"	46.985712
"1433995"	565.268946	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+HCOOH"	47.012746
"225877"	546.27844	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+3H2O+2H"	56.04448
"1512845"	579.32099	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+IsoProp+H"	61.06479
"413629"	549.232388	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Na+K"	61.952376
"774624"	808.360488	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+Na+K"	61.952376
"1668769"	290.104288	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na+K"	61.952376
"252735"	1100.528168	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+ACN+Na"	64.015768
"1227994"	582.271968	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+ACN+Na"	64.015768
"1716879"	582.295493	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+NH4+HCOOH"	64.039293
"1182234"	195.741284666667	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+3Na"	68.967654
"1652490"	587.250888	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na+HCOOH"	68.994688
"168838"	1113.43144	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2K-H"	76.91904
"605117"	1631.68764	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2K-H"	76.91904
"1096190"	595.17524	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2K-H"	76.91904
"150819"	557.219358	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2K"	77.926316
"584912"	816.347458	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2K"	77.926316
"1072704"	298.091258	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2K"	77.926316
"1104088"	597.189792	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2K+H"	78.933592
"1340112"	597.277407	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+DMSO+H"	79.021207
"1009735"	601.316576	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2ACN+H"	83.060376
"1525797"	602.310208	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+IsoProp+Na+H"	84.054008
"994314"	301.161926	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2ACN+2H"	84.067652
"1594286"	603.224828	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K+HCOOH"	84.968628
"1417758"	633.256338	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+CF3COOH"	115.000138
"1161905"	321.675201	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+3ACN+2H"	125.094202
"1710723"	650.282885	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+NH4+CF3COOH"	132.026685
"1642000"	655.23828	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na+CF3COOH"	136.98208
"1573277"	671.21222	"C04217"	"all-trans-Pentaprenyl diphosphate;Geranylfarnesyl diphosphate;(2E6E10E14E)-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K+CF3COOH"	152.95602
"801519"	818.5755	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M"	0
"977174"	799.55711	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-H2O-H"	-19.01839
"69787"	544.709724	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M-3H"	-3.021828
"509346"	817.568224	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M-3H"	-3.021828
"883867"	271.851224	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-3H"	-3.021828
"7908"	817.568224	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M-2H"	-2.014552
"446375"	1226.855974	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M-2H"	-2.014552
"821988"	408.280474	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-2H"	-2.014552
"80158"	1636.143724	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M-H"	-1.007276
"520080"	2454.719224	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M-H"	-1.007276
"897162"	817.568224	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-H"	-1.007276
"50810"	1653.170271	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M-2H+NH4"	16.019271
"492193"	2471.745771	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M-2H+NH4"	16.019271
"873283"	834.594771	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-2H+NH4"	16.019271
"35715"	1658.125666	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M-2H+Na"	20.974666
"471997"	2476.701166	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M-2H+Na"	20.974666
"849794"	839.550166	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-2H+Na"	20.974666
"1621514"	839.550166	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Na-2H"	20.974666
"96220"	835.556563	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M-H+Cl"	33.962126
"539797"	1244.844313	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M-H+Cl"	33.962126
"927962"	426.268813	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-H+Cl"	33.962126
"275156"	1672.120402	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+Cl"	34.969402
"662471"	2490.695902	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+Cl"	34.969402
"1275238"	853.544902	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Cl"	34.969402
"16700"	1674.099606	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M-2H+K"	36.948606
"457355"	2492.675106	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M-2H+K"	36.948606
"835521"	855.524106	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-2H+K"	36.948606
"1561200"	855.524106	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+K-2H"	36.948606
"945437"	863.573694	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-H+HCOOH"	44.998194
"361821"	1682.149201	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+HCOOH-H"	44.998201
"346072"	1696.164851	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+Hac-H"	59.013851
"1494539"	877.589351	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Hac-H"	59.013851
"964280"	885.555651	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-H+NaCOOH"	66.980151
"116468"	853.544902	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+2Cl"	69.938804
"563689"	1262.832652	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+2Cl"	69.938804
"1033216"	444.257152	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2Cl"	69.938804
"1257014"	897.494385	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Br"	78.918885
"1319780"	899.550372	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Cl+HCOOH"	80.974872
"1335482"	921.532329	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Cl+NaCOOH"	102.956829
"927001"	931.561086	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M-H+CF3COOH"	112.985586
"1303804"	967.537764	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Cl+CF3COOH"	148.962264
"1382606"	783.562824	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H-2H2O"	-35.012676
"1394349"	801.5728	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H-H2O"	-17.0027
"296952"	1638.158276	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+H"	1.007276
"687549"	2456.733776	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+H"	1.007276
"1364991"	819.582776	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H"	1.007276
"141209"	819.582776	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+2H"	2.014552
"578536"	1228.870526	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+2H"	2.014552
"1049522"	410.295026	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2H"	2.014552
"217060"	546.724276	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+3H"	3.021828
"656990"	819.582776	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+3H"	3.021828
"1175117"	273.865776	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+3H"	3.021828
"437295"	1655.184823	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+NH4"	18.033823
"798288"	2473.760323	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+NH4"	18.033823
"1691338"	836.609323	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+NH4"	18.033823
"339616"	828.0960495	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+H+NH4"	19.041099
"732036"	1237.3837995	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+H+NH4"	19.041099
"1491699"	418.8082995	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H+NH4"	19.041099
"406738"	1660.140218	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+Na"	22.989218
"767731"	2478.715718	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+Na"	22.989218
"1613642"	841.564718	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Na"	22.989218
"326961"	830.573747	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+H+Na"	23.996494
"719020"	1239.861497	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+H+Na"	23.996494
"1474297"	421.285997	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H+Na"	23.996494
"1066083"	281.19309	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2H+Na"	25.00377
"1271401"	851.608986	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+CH3OH+H"	33.033486
"387786"	1676.114158	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+K"	38.963158
"749876"	2494.689658	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+K"	38.963158
"1551200"	857.538658	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+K"	38.963158
"305823"	838.560717	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+H+K"	39.970434
"694961"	1247.848467	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+H+K"	39.970434
"1448776"	429.272967	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H+K"	39.970434
"239566"	1679.184826	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+ACN+H"	42.033826
"1214465"	860.609326	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+ACN+H"	42.033826
"1196160"	430.808301	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+ACN+2H"	43.041102
"195592"	1682.12216	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+2Na-H"	44.97116
"636246"	2500.69766	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+2Na-H"	44.97116
"1136472"	863.54666	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2Na-H"	44.97116
"183052"	841.564718	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+2Na"	45.978436
"624793"	1250.852468	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+2Na"	45.978436
"1125020"	432.276968	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2Na"	45.978436
"1405269"	288.520404	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H+2Na"	46.985712
"1434104"	865.588246	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H+HCOOH"	47.012746
"224894"	846.59774	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+3H2O+2H"	56.04448
"1515140"	879.64029	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+IsoProp+H"	61.06479
"413739"	849.551688	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+Na+K"	61.952376
"774734"	1258.839438	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+Na+K"	61.952376
"1668879"	440.263938	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Na+K"	61.952376
"254305"	1701.166768	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+ACN+Na"	64.015768
"1229197"	882.591268	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+ACN+Na"	64.015768
"1715897"	882.614793	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+NH4+HCOOH"	64.039293
"1183437"	295.847718	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+3Na"	68.967654
"1651507"	887.570188	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Na+HCOOH"	68.994688
"170041"	1714.07004	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+2K-H"	76.91904
"606320"	2532.64554	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+2K-H"	76.91904
"1096300"	895.49454	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2K-H"	76.91904
"153116"	857.538658	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"2M+2K"	77.926316
"588302"	1266.826408	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"3M+2K"	77.926316
"1072085"	448.250908	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2K"	77.926316
"1103104"	897.509092	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2K+H"	78.933592
"1338762"	897.596707	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+DMSO+H"	79.021207
"1008750"	901.635876	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2ACN+H"	83.060376
"1526879"	902.629508	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+IsoProp+Na+H"	84.054008
"1000986"	451.321576	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+2ACN+2H"	84.067652
"1594396"	903.544128	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+K+HCOOH"	84.968628
"1417868"	933.575638	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+H+CF3COOH"	115.000138
"1161649"	471.834851	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+3ACN+2H"	125.094202
"1710833"	950.602185	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+NH4+CF3COOH"	132.026685
"1642110"	955.55758	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+Na+CF3COOH"	136.98208
"1573387"	971.53152	"C04218"	"alphaalpha-Trehalose 6-mycolate"	"C44H82O13"	"818.5755"	"M+K+CF3COOH"	152.95602
"801518"	342.1162	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M"	0
"978377"	323.09781	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"69898"	227.070190666667	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"510551"	341.108924	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"888352"	113.031457333333	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"4740"	341.108924	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"442114"	512.167024	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"819914"	170.050824	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"86468"	683.225124	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"523840"	1025.341324	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"896421"	341.108924	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"47761"	700.251671	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"490113"	1042.367871	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"870113"	358.135471	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"32787"	705.207066	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"471658"	1047.323266	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"849419"	363.090866	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1619436"	363.090866	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"94286"	359.097263	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"536992"	530.155363	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"928071"	188.039163	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"273080"	719.201802	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"661852"	1061.318002	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1274255"	377.085602	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"16362"	721.181006	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"457465"	1063.297206	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"835631"	379.064806	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1559120"	379.064806	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"943722"	387.114394	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"361551"	729.230601	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"345766"	743.246251	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1492758"	401.130051	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"966577"	409.096351	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"116576"	377.085602	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"552131"	548.143702	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1023845"	206.027502	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1254370"	421.035085	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1319815"	423.091072	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1334314"	445.073029	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"920997"	455.101786	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1298798"	491.078464	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1374776"	307.103524	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1385710"	325.1135	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"291957"	685.239676	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"687659"	1027.355876	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1353072"	343.123476	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"140426"	343.123476	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"578646"	514.181576	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1048539"	172.065376	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"216806"	229.084742666667	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"656004"	343.123476	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1174134"	115.046009333333	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"434125"	702.266223	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"797304"	1044.382423	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1692541"	360.150023	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"337539"	351.6367495	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"733239"	522.6948495	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1487072"	180.5786495	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"407577"	707.221618	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"764562"	1049.337818	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1612659"	365.105418	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"324885"	354.114447	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"715121"	525.172547	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1469670"	183.056347	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1064007"	122.373323333333	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1271148"	375.149686	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"387896"	723.195558	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"749986"	1065.311758	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1550945"	381.079358	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"304838"	362.101417	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"692884"	533.159517	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1447064"	191.043317	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"236759"	726.266226	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1215668"	384.150026	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1194567"	192.578651	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"193515"	729.20356	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"634169"	1071.31976	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1135488"	387.08736	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"177695"	365.105418	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"619437"	536.163518	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1124035"	194.047318	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1403191"	129.700637333333	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1433482"	389.128946	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"222818"	370.13844	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1513062"	403.18099	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"414941"	373.092388	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"772655"	544.150488	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1669351"	202.034288	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"253318"	748.248168	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1227119"	406.131968	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1713820"	406.155493	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1181360"	137.027951333333	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1650018"	411.110888	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"164682"	761.15144	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"605337"	1103.26764	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1095317"	419.03524	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"149946"	381.079358	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"584038"	552.137458	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1072194"	210.021258	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1103214"	421.049792	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1337778"	421.137407	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1006671"	425.176576	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1525043"	426.170208	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1000002"	213.091926	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1594506"	427.084828	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1420165"	457.116338	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1161391"	233.605201	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1709850"	474.142885	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1642220"	479.09828	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1576777"	495.07222	"C04219"	"alpha-D-Aldosyl beta-D-fructoside;alpha-D-Aldosyl1 beta-D-fructoside;alpha-D-Aldosyl2 beta-D-fructoside"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"810422"	112.0524	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M"	0
"979580"	93.03401	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-H2O-H"	-19.01839
"71101"	73.694324	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M-3H"	-3.021828
"509567"	111.045124	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M-3H"	-3.021828
"887368"	36.343524	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-3H"	-3.021828
"4850"	111.045124	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H"	-2.014552
"442224"	167.071324	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H"	-2.014552
"820025"	55.018924	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-2H"	-2.014552
"83297"	223.097524	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M-H"	-1.007276
"521034"	335.149924	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M-H"	-1.007276
"899570"	111.045124	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-H"	-1.007276
"50665"	240.124071	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H+NH4"	16.019271
"488762"	352.176471	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H+NH4"	16.019271
"868036"	128.071671	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-2H+NH4"	16.019271
"33748"	245.079466	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H+Na"	20.974666
"472337"	357.131866	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H+Na"	20.974666
"849000"	133.027066	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-2H+Na"	20.974666
"1620277"	133.027066	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Na-2H"	20.974666
"94738"	129.033463	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M-H+Cl"	33.962126
"538924"	185.059663	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M-H+Cl"	33.962126
"929520"	73.007263	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-H+Cl"	33.962126
"273190"	259.074202	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+Cl"	34.969402
"663055"	371.126602	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+Cl"	34.969402
"1276187"	147.021802	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl"	34.969402
"18378"	261.053406	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M-2H+K"	36.948606
"459761"	373.105806	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M-2H+K"	36.948606
"839385"	149.001006	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-2H+K"	36.948606
"1561052"	149.001006	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+K-2H"	36.948606
"945654"	157.050594	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-H+HCOOH"	44.998194
"362043"	269.103001	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+HCOOH-H"	44.998201
"346049"	283.118651	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+Hac-H"	59.013851
"1498044"	171.066251	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Hac-H"	59.013851
"958584"	179.032551	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-H+NaCOOH"	66.980151
"116686"	147.021802	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+2Cl"	69.938804
"556249"	203.048002	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+2Cl"	69.938804
"1025047"	90.995602	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2Cl"	69.938804
"1252294"	190.971285	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Br"	78.918885
"1316929"	193.027272	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl+HCOOH"	80.974872
"1334424"	215.009229	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl+NaCOOH"	102.956829
"921107"	225.037986	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M-H+CF3COOH"	112.985586
"1295628"	261.014664	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Cl+CF3COOH"	148.962264
"1374886"	77.039724	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H-2H2O"	-35.012676
"1382875"	95.0497	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H-H2O"	-17.0027
"286600"	225.112076	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+H"	1.007276
"682302"	337.164476	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+H"	1.007276
"1354274"	113.059676	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H"	1.007276
"130446"	113.059676	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+2H"	2.014552
"577663"	169.085876	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+2H"	2.014552
"1047555"	57.033476	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2H"	2.014552
"216187"	75.708876	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+3H"	3.021828
"656113"	113.059676	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+3H"	3.021828
"1172057"	38.358076	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+3H"	3.021828
"433141"	242.138623	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+NH4"	18.033823
"794133"	354.191023	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+NH4"	18.033823
"1688276"	130.086223	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+NH4"	18.033823
"337649"	121.5729495	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+H+NH4"	19.041099
"733349"	177.5991495	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+H+NH4"	19.041099
"1482796"	65.5467495	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H+NH4"	19.041099
"405862"	247.094018	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+Na"	22.989218
"766856"	359.146418	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+Na"	22.989218
"1613859"	135.041618	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Na"	22.989218
"326817"	124.050647	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+H+Na"	23.996494
"719236"	180.076847	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+H+Na"	23.996494
"1473423"	68.024447	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H+Na"	23.996494
"1066300"	45.68539	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2H+Na"	25.00377
"1270525"	145.085886	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+CH3OH+H"	33.033486
"391287"	263.067958	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+K"	38.963158
"750096"	375.120358	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+K"	38.963158
"1545586"	151.015558	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+K"	38.963158
"298993"	132.037617	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+H+K"	39.970434
"694087"	188.063817	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+H+K"	39.970434
"1446200"	76.011417	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H+K"	39.970434
"235934"	266.138626	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+ACN+H"	42.033826
"1212498"	154.086226	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+ACN+H"	42.033826
"1194676"	77.546751	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+ACN+2H"	43.041102
"193625"	269.07596	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+2Na-H"	44.97116
"634279"	381.12836	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+2Na-H"	44.97116
"1141067"	157.02356	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2Na-H"	44.97116
"177076"	135.041618	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+2Na"	45.978436
"621004"	191.067818	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+2Na"	45.978436
"1124145"	79.015418	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2Na"	45.978436
"1402208"	53.012704	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H+2Na"	46.985712
"1432497"	159.065146	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H+HCOOH"	47.012746
"223292"	140.07464	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+3H2O+2H"	56.04448
"1514265"	173.11719	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+IsoProp+H"	61.06479
"415051"	143.028588	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+Na+K"	61.952376
"772765"	199.054788	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+Na+K"	61.952376
"1670189"	87.002388	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Na+K"	61.952376
"254885"	288.120568	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+ACN+Na"	64.015768
"1229780"	176.068168	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+ACN+Na"	64.015768
"1714658"	176.091693	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+NH4+HCOOH"	64.039293
"1180377"	60.340018	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+3Na"	68.967654
"1650753"	181.047088	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Na+HCOOH"	68.994688
"165885"	301.02384	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+2K-H"	76.91904
"606906"	413.07624	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+2K-H"	76.91904
"1094699"	188.97144	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2K-H"	76.91904
"148963"	151.015558	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"2M+2K"	77.926316
"588520"	207.041758	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"3M+2K"	77.926316
"1074126"	94.989358	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2K"	77.926316
"1106241"	190.985992	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2K+H"	78.933592
"1340439"	191.073607	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+DMSO+H"	79.021207
"1008969"	195.112776	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2ACN+H"	83.060376
"1530377"	196.106408	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+IsoProp+Na+H"	84.054008
"991729"	98.060026	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+2ACN+2H"	84.067652
"1589511"	197.021028	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+K+HCOOH"	84.968628
"1416994"	227.052538	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+H+CF3COOH"	115.000138
"1160408"	118.573301	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+3ACN+2H"	125.094202
"1708867"	244.079085	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+NH4+CF3COOH"	132.026685
"1642330"	249.03448	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+Na+CF3COOH"	136.98208
"1576887"	265.00842	"C04221"	"trans-12-Dihydrobenzene-12-diol"	"C6H8O2"	"112.0524"	"M+K+CF3COOH"	152.95602
"803971"	222.1256	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M"	0
"980783"	203.10721	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H2O-H"	-19.01839
"73399"	147.076457333333	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-3H"	-3.021828
"510772"	221.118324	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-3H"	-3.021828
"885292"	73.0345906666667	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-3H"	-3.021828
"3866"	221.118324	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H"	-2.014552
"440427"	332.181124	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H"	-2.014552
"818312"	110.055524	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H"	-2.014552
"82311"	443.243924	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-H"	-1.007276
"521870"	665.369524	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-H"	-1.007276
"898587"	221.118324	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H"	-1.007276
"51868"	460.270471	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H+NH4"	16.019271
"488142"	682.396071	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H+NH4"	16.019271
"867053"	238.144871	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H+NH4"	16.019271
"33858"	465.225866	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H+Na"	20.974666
"472931"	687.351466	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H+Na"	20.974666
"848906"	243.100266	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H+Na"	20.974666
"1618759"	243.100266	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na-2H"	20.974666
"95213"	239.106663	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-H+Cl"	33.962126
"539034"	350.169463	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-H+Cl"	33.962126
"930725"	128.043863	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+Cl"	33.962126
"271838"	479.220602	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Cl"	34.969402
"663165"	701.346202	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+Cl"	34.969402
"1277390"	257.095002	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl"	34.969402
"21768"	481.199806	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M-2H+K"	36.948606
"460965"	703.325406	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M-2H+K"	36.948606
"836214"	259.074206	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-2H+K"	36.948606
"1561163"	259.074206	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K-2H"	36.948606
"947222"	267.123794	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+HCOOH"	44.998194
"364342"	489.249401	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+HCOOH-H"	44.998201
"348226"	503.265051	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Hac-H"	59.013851
"1495235"	281.139451	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Hac-H"	59.013851
"958886"	289.105751	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+NaCOOH"	66.980151
"115703"	257.095002	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2Cl"	69.938804
"553080"	368.157802	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2Cl"	69.938804
"1026252"	146.032202	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2Cl"	69.938804
"1246939"	301.044485	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Br"	78.918885
"1311574"	303.100472	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl+HCOOH"	80.974872
"1333443"	325.082429	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl+NaCOOH"	102.956829
"924134"	335.111186	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M-H+CF3COOH"	112.985586
"1301935"	371.087864	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Cl+CF3COOH"	148.962264
"1371716"	187.112924	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H-2H2O"	-35.012676
"1390305"	205.1229	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H-H2O"	-17.0027
"292177"	445.258476	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H"	1.007276
"684599"	667.384076	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H"	1.007276
"1354748"	223.132876	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H"	1.007276
"130556"	223.132876	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2H"	2.014552
"576680"	334.195676	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2H"	2.014552
"1046572"	112.070076	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2H"	2.014552
"211191"	149.091009333333	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+3H"	3.021828
"646741"	223.132876	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+3H"	3.021828
"1171068"	75.0491426666667	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+3H"	3.021828
"432157"	462.285023	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+NH4"	18.033823
"794244"	684.410623	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+NH4"	18.033823
"1689479"	240.159423	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+NH4"	18.033823
"337759"	231.6461495	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H+NH4"	19.041099
"730180"	342.7089495	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H+NH4"	19.041099
"1481813"	120.5833495	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+NH4"	19.041099
"405973"	467.240418	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Na"	22.989218
"767330"	689.366018	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+Na"	22.989218
"1615062"	245.114818	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na"	22.989218
"326564"	234.123847	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H+Na"	23.996494
"718983"	345.186647	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H+Na"	23.996494
"1474626"	123.061047	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+Na"	23.996494
"1066411"	82.3764566666667	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2H+Na"	25.00377
"1269542"	255.159086	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+CH3OH+H"	33.033486
"391397"	483.214358	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+K"	38.963158
"752759"	705.339958	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+K"	38.963158
"1545696"	261.088758	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K"	38.963158
"300683"	242.110817	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+H+K"	39.970434
"695291"	353.173617	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+H+K"	39.970434
"1446311"	131.048017	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+K"	39.970434
"236737"	486.285026	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+ACN+H"	42.033826
"1212608"	264.159426	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+ACN+H"	42.033826
"1201958"	132.583351	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+ACN+2H"	43.041102
"193735"	489.22236	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2Na-H"	44.97116
"634389"	711.34796	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2Na-H"	44.97116
"1144096"	267.09676	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2Na-H"	44.97116
"177186"	245.114818	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2Na"	45.978436
"617108"	356.177618	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2Na"	45.978436
"1121340"	134.052018	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2Na"	45.978436
"1402681"	89.7037706666667	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+2Na"	46.985712
"1432974"	269.138346	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+HCOOH"	47.012746
"223763"	250.14784	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+3H2O+2H"	56.04448
"1512189"	283.19039	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+IsoProp+H"	61.06479
"416254"	253.101788	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+Na+K"	61.952376
"775061"	364.164588	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+Na+K"	61.952376
"1671391"	142.038988	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na+K"	61.952376
"254997"	508.266968	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+ACN+Na"	64.015768
"1229892"	286.141368	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+ACN+Na"	64.015768
"1717684"	286.164893	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+NH4+HCOOH"	64.039293
"1183767"	97.0310846666667	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+3Na"	68.967654
"1651469"	291.120288	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na+HCOOH"	68.994688
"167088"	521.17024	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2K-H"	76.91904
"606651"	743.29584	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2K-H"	76.91904
"1094444"	299.04464	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2K-H"	76.91904
"147980"	261.088758	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"2M+2K"	77.926316
"587538"	372.151558	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"3M+2K"	77.926316
"1074236"	150.025958	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2K"	77.926316
"1111818"	301.059192	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2K+H"	78.933592
"1341643"	301.146807	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+DMSO+H"	79.021207
"1012361"	305.185976	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2ACN+H"	83.060376
"1528301"	306.179608	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+IsoProp+Na+H"	84.054008
"993661"	153.096626	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+2ACN+2H"	84.067652
"1595818"	307.094228	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K+HCOOH"	84.968628
"1420385"	337.125738	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+H+CF3COOH"	115.000138
"1160518"	173.609901	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+3ACN+2H"	125.094202
"1710070"	354.152285	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+NH4+CF3COOH"	132.026685
"1642440"	359.10768	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+Na+CF3COOH"	136.98208
"1576997"	375.08162	"C04223"	"(-)-6-Hydroxy-3-oxo-alpha-ionone"	"C13H18O3"	"222.1256"	"M+K+CF3COOH"	152.95602
"810642"	188.0321	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M"	0
"983080"	169.01371	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-H2O-H"	-19.01839
"76794"	124.347457333333	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M-3H"	-3.021828
"514164"	187.024824	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M-3H"	-3.021828
"890872"	61.6700906666667	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-3H"	-3.021828
"6165"	187.024824	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M-2H"	-2.014552
"441713"	281.040874	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M-2H"	-2.014552
"819151"	93.008774	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-2H"	-2.014552
"81329"	375.056924	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M-H"	-1.007276
"519551"	563.089024	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M-H"	-1.007276
"895902"	187.024824	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-H"	-1.007276
"47848"	392.083471	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M-2H+NH4"	16.019271
"489352"	580.115571	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M-2H+NH4"	16.019271
"866067"	204.051371	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-2H+NH4"	16.019271
"37251"	397.038866	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M-2H+Na"	20.974666
"477905"	585.070966	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M-2H+Na"	20.974666
"853518"	209.006766	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-2H+Na"	20.974666
"1620864"	209.006766	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Na-2H"	20.974666
"99582"	205.013163	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M-H+Cl"	33.962126
"540237"	299.029213	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M-H+Cl"	33.962126
"933022"	110.997113	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-H+Cl"	33.962126
"271214"	411.033602	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+Cl"	34.969402
"666917"	599.065702	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+Cl"	34.969402
"1276771"	223.001502	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Cl"	34.969402
"18598"	413.012806	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M-2H+K"	36.948606
"459619"	601.044906	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M-2H+K"	36.948606
"836324"	224.980706	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-2H+K"	36.948606
"1561639"	224.980706	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+K-2H"	36.948606
"947336"	233.030294	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-H+HCOOH"	44.998194
"364455"	421.062401	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+HCOOH-H"	44.998201
"350526"	435.078051	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+Hac-H"	59.013851
"1499359"	247.045951	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Hac-H"	59.013851
"959969"	255.012251	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-H+NaCOOH"	66.980151
"118001"	223.001502	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+2Cl"	69.938804
"552459"	317.017552	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+2Cl"	69.938804
"1027457"	128.985452	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2Cl"	69.938804
"1250329"	266.950985	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Br"	78.918885
"1313870"	269.006972	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Cl+HCOOH"	80.974872
"1332093"	290.988929	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Cl+NaCOOH"	102.956829
"924243"	301.017686	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M-H+CF3COOH"	112.985586
"1299128"	336.994364	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Cl+CF3COOH"	148.962264
"1376200"	153.019424	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H-2H2O"	-35.012676
"1394426"	171.0294	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H-H2O"	-17.0027
"292288"	377.071476	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+H"	1.007276
"682522"	565.103576	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+H"	1.007276
"1358870"	189.039376	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H"	1.007276
"135041"	189.039376	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+2H"	2.014552
"575697"	283.055426	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+2H"	2.014552
"1044859"	95.023326	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2H"	2.014552
"209477"	126.362009333333	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+3H"	3.021828
"653050"	189.039376	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+3H"	3.021828
"1173367"	63.6846426666667	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+3H"	3.021828
"434456"	394.098023	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+NH4"	18.033823
"795453"	582.130123	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+NH4"	18.033823
"1691781"	206.065923	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+NH4"	18.033823
"344437"	197.5526495	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+H+NH4"	19.041099
"735764"	291.5686995	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+H+NH4"	19.041099
"1487397"	103.5365995	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H+NH4"	19.041099
"406814"	399.053418	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+Na"	22.989218
"768897"	587.085518	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+Na"	22.989218
"1616265"	211.021318	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Na"	22.989218
"328133"	200.030347	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+H+Na"	23.996494
"721639"	294.046397	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+H+Na"	23.996494
"1474729"	106.014297	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H+Na"	23.996494
"1061413"	71.0119566666667	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2H+Na"	25.00377
"1268559"	221.065586	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+CH3OH+H"	33.033486
"391505"	415.027358	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+K"	38.963158
"752867"	603.059458	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+K"	38.963158
"1550180"	226.995258	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+K"	38.963158
"306262"	208.017317	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+H+K"	39.970434
"694307"	302.033367	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+H+K"	39.970434
"1446544"	114.001267	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H+K"	39.970434
"236724"	418.098026	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+ACN+H"	42.033826
"1214905"	230.065926	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+ACN+H"	42.033826
"1202068"	115.536601	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+ACN+2H"	43.041102
"194939"	421.03536	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+2Na-H"	44.97116
"634499"	609.06746	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+2Na-H"	44.97116
"1145304"	233.00326	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2Na-H"	44.97116
"181306"	211.021318	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+2Na"	45.978436
"624147"	305.037368	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+2Na"	45.978436
"1124372"	117.005268	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2Na"	45.978436
"1403522"	78.3392706666667	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H+2Na"	46.985712
"1433449"	235.044846	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H+HCOOH"	47.012746
"223873"	216.05434	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+3H2O+2H"	56.04448
"1514485"	249.09689	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+IsoProp+H"	61.06479
"418551"	219.008288	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+Na+K"	61.952376
"779547"	313.024338	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+Na+K"	61.952376
"1674784"	124.992238	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Na+K"	61.952376
"261305"	440.079968	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+ACN+Na"	64.015768
"1235106"	252.047868	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+ACN+Na"	64.015768
"1723991"	252.071393	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+NH4+HCOOH"	64.039293
"1183877"	85.6665846666667	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+3Na"	68.967654
"1652677"	257.026788	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Na+HCOOH"	68.994688
"168296"	452.98324	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+2K-H"	76.91904
"606401"	641.01534	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+2K-H"	76.91904
"1095286"	264.95114	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2K-H"	76.91904
"153194"	226.995258	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"2M+2K"	77.926316
"589839"	321.011308	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"3M+2K"	77.926316
"1077627"	132.979208	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2K"	77.926316
"1104275"	266.965692	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2K+H"	78.933592
"1345036"	267.053307	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+DMSO+H"	79.021207
"1012472"	271.092476	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2ACN+H"	83.060376
"1530598"	272.086108	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+IsoProp+Na+H"	84.054008
"1001427"	136.049876	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+2ACN+2H"	84.067652
"1597023"	273.000728	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+K+HCOOH"	84.968628
"1420495"	303.032238	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+H+CF3COOH"	115.000138
"1159535"	156.563151	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+3ACN+2H"	125.094202
"1710180"	320.058785	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+NH4+CF3COOH"	132.026685
"1641457"	325.01418	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+Na+CF3COOH"	136.98208
"1577107"	340.98812	"C04225"	"(Z)-But-2-ene-123-tricarboxylate;cis-2-Methylaconitate"	"C7H8O6"	"188.0321"	"M+K+CF3COOH"	152.95602
"807471"	141.0426	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M"	0
"975536"	122.02421	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-H2O-H"	-19.01839
"70340"	93.021124	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M-3H"	-3.021828
"514273"	140.035324	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M-3H"	-3.021828
"884421"	46.006924	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-3H"	-3.021828
"1900"	140.035324	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M-2H"	-2.014552
"440364"	210.556624	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M-2H"	-2.014552
"817474"	69.514024	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-2H"	-2.014552
"79493"	281.077924	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M-H"	-1.007276
"519294"	422.120524	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M-H"	-1.007276
"896863"	140.035324	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-H"	-1.007276
"48930"	298.104471	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M-2H+NH4"	16.019271
"487189"	439.147071	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M-2H+NH4"	16.019271
"867271"	157.061871	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-2H+NH4"	16.019271
"34078"	303.059866	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M-2H+Na"	20.974666
"473640"	444.102466	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M-2H+Na"	20.974666
"849047"	162.017266	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-2H+Na"	20.974666
"1619880"	162.017266	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Na-2H"	20.974666
"96045"	158.023663	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M-H+Cl"	33.962126
"542534"	228.544963	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M-H+Cl"	33.962126
"937142"	87.502363	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-H+Cl"	33.962126
"271325"	317.054602	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+Cl"	34.969402
"668120"	458.097202	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+Cl"	34.969402
"1275425"	176.012002	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Cl"	34.969402
"23084"	319.033806	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M-2H+K"	36.948606
"460458"	460.076406	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M-2H+K"	36.948606
"837165"	177.991206	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-2H+K"	36.948606
"1563937"	177.991206	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+K-2H"	36.948606
"949631"	186.040794	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-H+HCOOH"	44.998194
"367848"	327.083401	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+HCOOH-H"	44.998201
"350636"	341.099051	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+Hac-H"	59.013851
"1500562"	200.056451	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Hac-H"	59.013851
"959717"	208.022751	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-H+NaCOOH"	66.980151
"121027"	176.012002	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+2Cl"	69.938804
"551111"	246.533302	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+2Cl"	69.938804
"1026474"	105.490702	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2Cl"	69.938804
"1250439"	219.961485	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Br"	78.918885
"1311793"	222.017472	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Cl+HCOOH"	80.974872
"1331474"	243.999429	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Cl+NaCOOH"	102.956829
"923624"	254.028186	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M-H+CF3COOH"	112.985586
"1299238"	290.004864	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Cl+CF3COOH"	148.962264
"1375215"	106.029924	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H-2H2O"	-35.012676
"1391618"	124.0399	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H-H2O"	-17.0027
"285837"	283.092476	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+H"	1.007276
"680443"	424.135076	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+H"	1.007276
"1358980"	142.049876	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H"	1.007276
"136244"	142.049876	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+2H"	2.014552
"575807"	212.571176	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+2H"	2.014552
"1043512"	71.528576	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2H"	2.014552
"209587"	95.035676	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+3H"	3.021828
"650239"	142.049876	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+3H"	3.021828
"1167636"	48.021476	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+3H"	3.021828
"432379"	300.119023	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+NH4"	18.033823
"790460"	441.161623	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+NH4"	18.033823
"1688610"	159.076423	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+NH4"	18.033823
"339078"	150.5631495	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+H+NH4"	19.041099
"735874"	221.0844495	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+H+NH4"	19.041099
"1486413"	80.0418495	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H+NH4"	19.041099
"404007"	305.074418	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+Na"	22.989218
"769371"	446.117018	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+Na"	22.989218
"1615282"	164.031818	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Na"	22.989218
"327509"	153.040847	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+H+Na"	23.996494
"718833"	223.562147	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+H+Na"	23.996494
"1470465"	82.519547	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H+Na"	23.996494
"1061523"	55.34879	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2H+Na"	25.00377
"1268668"	174.076086	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+CH3OH+H"	33.033486
"386148"	321.048358	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+K"	38.963158
"751154"	462.090958	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+K"	38.963158
"1547010"	180.005758	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+K"	38.963158
"304185"	161.027817	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+H+K"	39.970434
"693323"	231.549117	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+H+K"	39.970434
"1445761"	90.506517	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H+K"	39.970434
"235745"	324.119026	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+ACN+H"	42.033826
"1213922"	183.076426	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+ACN+H"	42.033826
"1198898"	92.041851	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+ACN+2H"	43.041102
"193956"	327.05636	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+2Na-H"	44.97116
"632423"	468.09896	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+2Na-H"	44.97116
"1143954"	186.01376	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2Na-H"	44.97116
"185425"	164.031818	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+2Na"	45.978436
"623164"	234.553118	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+2Na"	45.978436
"1124482"	93.510518	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2Na"	45.978436
"1402536"	62.676104	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H+2Na"	46.985712
"1432830"	188.055346	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H+HCOOH"	47.012746
"225439"	169.06484	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+3H2O+2H"	56.04448
"1512407"	202.10739	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+IsoProp+H"	61.06479
"409424"	172.018788	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+Na+K"	61.952376
"780750"	242.540088	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+Na+K"	61.952376
"1674894"	101.497488	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Na+K"	61.952376
"261415"	346.100968	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+ACN+Na"	64.015768
"1235219"	205.058368	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+ACN+Na"	64.015768
"1720822"	205.081893	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+NH4+HCOOH"	64.039293
"1185082"	70.003418	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+3Na"	68.967654
"1649985"	210.037288	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Na+HCOOH"	68.994688
"166219"	359.00424	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+2K-H"	76.91904
"605782"	500.04684	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+2K-H"	76.91904
"1090293"	217.96164	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2K-H"	76.91904
"149295"	180.005758	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"2M+2K"	77.926316
"587761"	250.527058	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"3M+2K"	77.926316
"1078831"	109.484458	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2K"	77.926316
"1105479"	219.976192	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2K+H"	78.933592
"1341865"	220.063807	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+DMSO+H"	79.021207
"1009301"	224.102976	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2ACN+H"	83.060376
"1532899"	225.096608	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+IsoProp+Na+H"	84.054008
"1000443"	112.555126	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+2ACN+2H"	84.067652
"1597133"	226.011228	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+K+HCOOH"	84.968628
"1420605"	256.042738	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+H+CF3COOH"	115.000138
"1159644"	133.068401	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+3ACN+2H"	125.094202
"1709197"	273.069285	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+NH4+CF3COOH"	132.026685
"1641568"	278.02468	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+Na+CF3COOH"	136.98208
"1577217"	293.99862	"C04226"	"6-Oxo-1456-tetrahydronicotinate;1456-Tetrahydro-6-oxonicotinate;1456-Tetrahydro-6-oxonicotinic acid"	"C6H7NO3"	"141.0426"	"M+K+CF3COOH"	152.95602
"804301"	153.079	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M"	0
"982210"	134.06061	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-H2O-H"	-19.01839
"73732"	101.045390666667	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M-3H"	-3.021828
"512198"	152.071724	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M-3H"	-3.021828
"888906"	50.0190573333333	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-3H"	-3.021828
"5293"	152.071724	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M-2H"	-2.014552
"445947"	228.611224	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M-2H"	-2.014552
"818400"	75.532224	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-2H"	-2.014552
"79725"	305.150724	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M-H"	-1.007276
"520373"	458.229724	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M-H"	-1.007276
"908400"	152.071724	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-H"	-1.007276
"56577"	322.177271	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M-2H+NH4"	16.019271
"491761"	475.256271	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M-2H+NH4"	16.019271
"869567"	169.098271	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-2H+NH4"	16.019271
"34191"	327.132666	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M-2H+Na"	20.974666
"481406"	480.211666	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M-2H+Na"	20.974666
"855928"	174.053666	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-2H+Na"	20.974666
"1622179"	174.053666	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Na-2H"	20.974666
"96155"	170.060063	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M-H+Cl"	33.962126
"547627"	246.599563	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M-H+Cl"	33.962126
"937254"	93.520563	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-H+Cl"	33.962126
"276903"	341.127402	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+Cl"	34.969402
"674310"	494.206402	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+Cl"	34.969402
"1275533"	188.048402	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Cl"	34.969402
"25381"	343.106606	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M-2H+K"	36.948606
"456640"	496.185606	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M-2H+K"	36.948606
"837277"	190.027606	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-2H+K"	36.948606
"1564047"	190.027606	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+K-2H"	36.948606
"946464"	198.077194	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-H+HCOOH"	44.998194
"371239"	351.156201	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+HCOOH-H"	44.998201
"355852"	365.171851	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+Hac-H"	59.013851
"1503226"	212.092851	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Hac-H"	59.013851
"962017"	220.059151	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-H+NaCOOH"	66.980151
"119311"	188.048402	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+2Cl"	69.938804
"550492"	264.587902	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+2Cl"	69.938804
"1025491"	111.508902	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2Cl"	69.938804
"1248726"	231.997885	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Br"	78.918885
"1311903"	234.053872	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Cl+HCOOH"	80.974872
"1330491"	256.035829	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Cl+NaCOOH"	102.956829
"923734"	266.064586	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M-H+CF3COOH"	112.985586
"1300441"	302.041264	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Cl+CF3COOH"	148.962264
"1374232"	118.066324	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H-2H2O"	-35.012676
"1391728"	136.0763	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H-H2O"	-17.0027
"287040"	307.165276	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+H"	1.007276
"680553"	460.244276	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+H"	1.007276
"1359090"	154.086276	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H"	1.007276
"135261"	154.086276	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+2H"	2.014552
"577010"	230.625776	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+2H"	2.014552
"1044715"	77.546776	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2H"	2.014552
"209698"	103.059942666667	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+3H"	3.021828
"649256"	154.086276	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+3H"	3.021828
"1167017"	52.0336093333333	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+3H"	3.021828
"431397"	324.191823	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+NH4"	18.033823
"791299"	477.270823	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+NH4"	18.033823
"1688720"	171.112823	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+NH4"	18.033823
"341375"	162.5995495	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+H+NH4"	19.041099
"735620"	239.1390495	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+H+NH4"	19.041099
"1485430"	86.0600495	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H+NH4"	19.041099
"405211"	329.147218	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+Na"	22.989218
"767295"	482.226218	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+Na"	22.989218
"1615392"	176.068218	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Na"	22.989218
"326526"	165.077247	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+H+Na"	23.996494
"717850"	241.616747	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+H+Na"	23.996494
"1468389"	88.537747	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H+Na"	23.996494
"1060540"	59.3609233333333	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2H+Na"	25.00377
"1267685"	186.112486	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+CH3OH+H"	33.033486
"386258"	345.121158	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+K"	38.963158
"748348"	498.200158	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+K"	38.963158
"1544933"	192.042158	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+K"	38.963158
"303202"	173.064217	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+H+K"	39.970434
"694526"	249.603717	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+H+K"	39.970434
"1448345"	96.524717	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H+K"	39.970434
"236214"	348.191826	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+ACN+H"	42.033826
"1214032"	195.112826	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+ACN+H"	42.033826
"1197915"	98.060051	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+ACN+2H"	43.041102
"194066"	351.12916	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+2Na-H"	44.97116
"632533"	504.20816	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+2Na-H"	44.97116
"1143700"	198.05016	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2Na-H"	44.97116
"184806"	176.068218	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+2Na"	45.978436
"624367"	252.607718	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+2Na"	45.978436
"1124592"	99.528718	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2Na"	45.978436
"1402282"	66.6882373333333	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H+2Na"	46.985712
"1434034"	200.091746	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H+HCOOH"	47.012746
"226642"	181.10124	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+3H2O+2H"	56.04448
"1517982"	214.14379	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+IsoProp+H"	61.06479
"411114"	184.055188	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+Na+K"	61.952376
"772110"	260.594688	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+Na+K"	61.952376
"1676098"	107.515688	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Na+K"	61.952376
"257149"	370.173768	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+ACN+Na"	64.015768
"1238244"	217.094768	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+ACN+Na"	64.015768
"1720932"	217.118293	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+NH4+HCOOH"	64.039293
"1185192"	74.0155513333333	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+3Na"	68.967654
"1650382"	222.073688	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Na+HCOOH"	68.994688
"167784"	383.07704	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+2K-H"	76.91904
"608440"	536.15604	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+2K-H"	76.91904
"1094411"	229.99804	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2K-H"	76.91904
"148313"	192.042158	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"2M+2K"	77.926316
"590059"	268.581658	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"3M+2K"	77.926316
"1076757"	115.502658	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2K"	77.926316
"1107776"	232.012592	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2K+H"	78.933592
"1338693"	232.100207	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+DMSO+H"	79.021207
"1010504"	236.139376	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2ACN+H"	83.060376
"1530823"	237.133008	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+IsoProp+Na+H"	84.054008
"992897"	118.573326	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+2ACN+2H"	84.067652
"1593960"	238.047628	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+K+HCOOH"	84.968628
"1420714"	268.079138	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+H+CF3COOH"	115.000138
"1154285"	139.086601	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+3ACN+2H"	125.094202
"1710399"	285.105685	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+NH4+CF3COOH"	132.026685
"1641674"	290.06108	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+Na+CF3COOH"	136.98208
"1574411"	306.03502	"C04227"	"Octopamine;1-(4-Hydroxyphenyl)-2-aminoethanol;p-Hydroxyphenylethanolamine"	"C8H11NO2"	"153.079"	"M+K+CF3COOH"	152.95602
"801451"	255.066	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M"	0
"977945"	236.04761	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-H2O-H"	-19.01839
"67282"	169.036724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M-3H"	-3.021828
"511215"	254.058724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M-3H"	-3.021828
"885735"	84.014724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-3H"	-3.021828
"4309"	254.058724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M-2H"	-2.014552
"446057"	381.591724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M-2H"	-2.014552
"818631"	126.525724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-2H"	-2.014552
"81657"	509.124724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M-H"	-1.007276
"520125"	764.190724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M-H"	-1.007276
"909239"	254.058724	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-H"	-1.007276
"56687"	526.151271	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M-2H+NH4"	16.019271
"489684"	781.217271	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M-2H+NH4"	16.019271
"867491"	271.085271	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-2H+NH4"	16.019271
"40862"	531.106666	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M-2H+Na"	20.974666
"481516"	786.172666	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M-2H+Na"	20.974666
"856038"	276.040666	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-2H+Na"	20.974666
"1623382"	276.040666	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Na-2H"	20.974666
"96265"	272.047063	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M-H+Cl"	33.962126
"546036"	399.580063	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M-H+Cl"	33.962126
"934085"	144.514063	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-H+Cl"	33.962126
"277014"	545.101402	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+Cl"	34.969402
"671625"	800.167402	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+Cl"	34.969402
"1276371"	290.035402	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Cl"	34.969402
"23304"	547.080606	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M-2H+K"	36.948606
"460677"	802.146606	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M-2H+K"	36.948606
"837384"	292.014606	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-2H+K"	36.948606
"1556866"	292.014606	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+K-2H"	36.948606
"944379"	300.064194	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-H+HCOOH"	44.998194
"362593"	555.130201	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+HCOOH-H"	44.998201
"346110"	569.145851	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+Hac-H"	59.013851
"1493607"	314.079851	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Hac-H"	59.013851
"959205"	322.046151	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-H+NaCOOH"	66.980151
"113951"	290.035402	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+2Cl"	69.938804
"550965"	417.568402	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+2Cl"	69.938804
"1025601"	162.502402	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2Cl"	69.938804
"1247378"	333.984885	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Br"	78.918885
"1312013"	336.040872	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Cl+HCOOH"	80.974872
"1332787"	358.022829	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Cl+NaCOOH"	102.956829
"921658"	368.051586	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M-H+CF3COOH"	112.985586
"1297271"	404.028264	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Cl+CF3COOH"	148.962264
"1374337"	220.053324	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H-2H2O"	-35.012676
"1391838"	238.0633	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H-H2O"	-17.0027
"287150"	511.139276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+H"	1.007276
"679934"	766.205276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+H"	1.007276
"1360293"	256.073276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H"	1.007276
"135371"	256.073276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+2H"	2.014552
"576027"	383.606276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+2H"	2.014552
"1045918"	128.540276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2H"	2.014552
"211265"	171.051276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+3H"	3.021828
"649366"	256.073276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+3H"	3.021828
"1167856"	86.029276	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+3H"	3.021828
"431507"	528.165823	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+NH4"	18.033823
"792502"	783.231823	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+NH4"	18.033823
"1688830"	273.099823	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+NH4"	18.033823
"338206"	264.5865495	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+H+NH4"	19.041099
"733544"	392.1195495	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+H+NH4"	19.041099
"1485540"	137.0535495	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H+NH4"	19.041099
"402042"	533.121218	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+Na"	22.989218
"765584"	788.187218	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+Na"	22.989218
"1614409"	278.055218	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Na"	22.989218
"322993"	267.064247	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+H+Na"	23.996494
"717960"	394.597247	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+H+Na"	23.996494
"1468499"	139.531247	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H+Na"	23.996494
"1060650"	93.35659	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2H+Na"	25.00377
"1267795"	288.099486	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+CH3OH+H"	33.033486
"380901"	549.095158	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+K"	38.963158
"741898"	804.161158	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+K"	38.963158
"1542856"	294.029158	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+K"	38.963158
"300393"	275.051217	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+H+K"	39.970434
"692810"	402.584217	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+H+K"	39.970434
"1445978"	147.518217	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H+K"	39.970434
"235956"	552.165826	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+ACN+H"	42.033826
"1211955"	297.099826	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+ACN+H"	42.033826
"1198025"	149.053551	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+ACN+2H"	43.041102
"194176"	555.10316	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+2Na-H"	44.97116
"632643"	810.16916	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+2Na-H"	44.97116
"1143446"	300.03716	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2Na-H"	44.97116
"185402"	278.055218	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+2Na"	45.978436
"624109"	405.588218	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+2Na"	45.978436
"1127616"	150.522218	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2Na"	45.978436
"1403120"	100.683904	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H+2Na"	46.985712
"1434871"	302.078746	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H+HCOOH"	47.012746
"225660"	283.08824	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+3H2O+2H"	56.04448
"1513723"	316.13079	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+IsoProp+H"	61.06479
"411224"	286.042188	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+Na+K"	61.952376
"773313"	413.575188	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+Na+K"	61.952376
"1677301"	158.509188	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Na+K"	61.952376
"258352"	574.147768	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+ACN+Na"	64.015768
"1228872"	319.081768	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+ACN+Na"	64.015768
"1721042"	319.105293	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+NH4+HCOOH"	64.039293
"1180198"	108.011218	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+3Na"	68.967654
"1650208"	324.060688	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Na+HCOOH"	68.994688
"168623"	587.05104	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+2K-H"	76.91904
"609643"	842.11704	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+2K-H"	76.91904
"1093789"	331.98504	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2K-H"	76.91904
"150243"	294.029158	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"2M+2K"	77.926316
"591260"	421.562158	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"3M+2K"	77.926316
"1076866"	166.496158	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2K"	77.926316
"1107886"	333.999592	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2K+H"	78.933592
"1338803"	334.087207	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+DMSO+H"	79.021207
"1009521"	338.126376	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2ACN+H"	83.060376
"1532025"	339.120008	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+IsoProp+Na+H"	84.054008
"996289"	169.566826	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+2ACN+2H"	84.067652
"1597353"	340.034628	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+K+HCOOH"	84.968628
"1420825"	370.066138	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+H+CF3COOH"	115.000138
"1157675"	190.080101	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+3ACN+2H"	125.094202
"1711603"	387.092685	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+NH4+CF3COOH"	132.026685
"1641784"	392.04808	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+Na+CF3COOH"	136.98208
"1574157"	408.02202	"C04229"	"1-(Indol-3-yl)propanol 3-phosphate;Indolepropanol phosphate"	"C11H14NO4P"	"255.066"	"M+K+CF3COOH"	152.95602
"802701"	276.0246	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M"	0
"974651"	257.00621	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-H2O-H"	-19.01839
"63000"	183.009124	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M-3H"	-3.021828
"504764"	275.017324	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M-3H"	-3.021828
"881836"	91.000924	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-3H"	-3.021828
"4419"	275.017324	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M-2H"	-2.014552
"441920"	413.029624	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M-2H"	-2.014552
"827987"	137.005024	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-2H"	-2.014552
"92720"	551.041924	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M-H"	-1.007276
"531913"	827.066524	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M-H"	-1.007276
"904617"	275.017324	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-H"	-1.007276
"60089"	568.068471	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M-2H+NH4"	16.019271
"500619"	844.093071	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M-2H+NH4"	16.019271
"873075"	292.043871	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-2H+NH4"	16.019271
"46328"	573.023866	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M-2H+Na"	20.974666
"485884"	849.048466	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M-2H+Na"	20.974666
"859435"	296.999266	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-2H+Na"	20.974666
"1630062"	296.999266	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Na-2H"	20.974666
"99663"	293.005663	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M-H+Cl"	33.962126
"542870"	431.017963	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M-H+Cl"	33.962126
"935296"	154.993363	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-H+Cl"	33.962126
"278227"	587.018602	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+Cl"	34.969402
"667366"	863.043202	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+Cl"	34.969402
"1281956"	310.994002	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Cl"	34.969402
"24513"	588.997806	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M-2H+K"	36.948606
"457512"	865.022406	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M-2H+K"	36.948606
"837501"	312.973206	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-2H+K"	36.948606
"1557709"	312.973206	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+K-2H"	36.948606
"946686"	321.022794	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-H+HCOOH"	44.998194
"371463"	597.047401	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+HCOOH-H"	44.998201
"348784"	611.063051	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+Hac-H"	59.013851
"1503091"	335.038451	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Hac-H"	59.013851
"967351"	343.004751	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-H+NaCOOH"	66.980151
"123566"	310.994002	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+2Cl"	69.938804
"561298"	449.006302	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+2Cl"	69.938804
"1035564"	172.981702	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2Cl"	69.938804
"1246393"	354.943485	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Br"	78.918885
"1312122"	356.999472	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Cl+HCOOH"	80.974872
"1328525"	378.981429	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Cl+NaCOOH"	102.956829
"920680"	389.010186	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M-H+CF3COOH"	112.985586
"1297387"	424.986864	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Cl+CF3COOH"	148.962264
"1376642"	241.011924	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H-2H2O"	-35.012676
"1391951"	259.0219	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H-H2O"	-17.0027
"294558"	553.056476	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+H"	1.007276
"688072"	829.081076	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+H"	1.007276
"1358222"	277.031876	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H"	1.007276
"136579"	277.031876	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+2H"	2.014552
"575048"	415.044176	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+2H"	2.014552
"1044946"	139.019576	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2H"	2.014552
"210657"	185.023676	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+3H"	3.021828
"651314"	277.031876	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+3H"	3.021828
"1172720"	93.015476	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+3H"	3.021828
"429429"	570.083023	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+NH4"	18.033823
"790425"	846.107623	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+NH4"	18.033823
"1687850"	294.058423	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+NH4"	18.033823
"340872"	285.5451495	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+H+NH4"	19.041099
"731835"	423.5574495	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+H+NH4"	19.041099
"1483471"	147.5328495	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H+NH4"	19.041099
"397778"	575.038418	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+Na"	22.989218
"762780"	851.063018	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+Na"	22.989218
"1609058"	299.013818	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Na"	22.989218
"321282"	288.022847	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+H+Na"	23.996494
"713701"	426.035147	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+H+Na"	23.996494
"1470800"	150.010547	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H+Na"	23.996494
"1062589"	100.34279	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2H+Na"	25.00377
"1266452"	309.058086	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+CH3OH+H"	33.033486
"386485"	591.012358	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+K"	38.963158
"747479"	867.036958	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+K"	38.963158
"1545158"	314.987758	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+K"	38.963158
"303426"	296.009817	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+H+K"	39.970434
"706420"	434.022117	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+H+K"	39.970434
"1459513"	157.997517	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H+K"	39.970434
"250546"	594.083026	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+ACN+H"	42.033826
"1224715"	318.058426	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+ACN+H"	42.033826
"1206893"	159.532851	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+ACN+2H"	43.041102
"199764"	597.02036	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+2Na-H"	44.97116
"639324"	873.04496	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+2Na-H"	44.97116
"1136269"	320.99576	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2Na-H"	44.97116
"180656"	299.013818	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+2Na"	45.978436
"618392"	437.026118	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+2Na"	45.978436
"1124814"	161.001518	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2Na"	45.978436
"1403234"	107.670104	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H+2Na"	46.985712
"1434255"	323.037346	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H+HCOOH"	47.012746
"224682"	304.04684	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+3H2O+2H"	56.04448
"1518219"	337.08939	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+IsoProp+H"	61.06479
"420089"	307.000788	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+Na+K"	61.952376
"778166"	445.013088	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+Na+K"	61.952376
"1676323"	168.988488	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Na+K"	61.952376
"260652"	616.064968	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+ACN+Na"	64.015768
"1234454"	340.040368	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+ACN+Na"	64.015768
"1724438"	340.063893	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+NH4+HCOOH"	64.039293
"1187610"	114.997418	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+3Na"	68.967654
"1658593"	345.019288	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Na+HCOOH"	68.994688
"164364"	628.96824	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+2K-H"	76.91904
"602097"	904.99284	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+2K-H"	76.91904
"1090625"	352.94364	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2K-H"	76.91904
"147440"	314.987758	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"2M+2K"	77.926316
"588095"	453.000058	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"3M+2K"	77.926316
"1074790"	176.975458	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2K"	77.926316
"1109099"	354.958192	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2K+H"	78.933592
"1350600"	355.045807	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+DMSO+H"	79.021207
"1014021"	359.084976	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2ACN+H"	83.060376
"1534331"	360.078608	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+IsoProp+Na+H"	84.054008
"1004062"	180.046126	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+2ACN+2H"	84.067652
"1597471"	360.993228	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+K+HCOOH"	84.968628
"1424223"	391.024738	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+H+CF3COOH"	115.000138
"1156700"	200.559401	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+3ACN+2H"	125.094202
"1710261"	408.051285	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+NH4+CF3COOH"	132.026685
"1646274"	413.00668	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+Na+CF3COOH"	136.98208
"1580831"	428.98062	"C04234"	"2-Carboxy-D-arabinitol 1-phosphate;2-Carboxyarabinitol 1-phosphate"	"C6H13O10P"	"276.0246"	"M+K+CF3COOH"	152.95602
"801960"	174.0528	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M"	0
"975238"	155.03441	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-H2O-H"	-19.01839
"63726"	115.027924	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M-3H"	-3.021828
"504382"	173.045524	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M-3H"	-3.021828
"881699"	57.010324	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-3H"	-3.021828
"2349"	173.045524	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M-2H"	-2.014552
"450661"	260.071924	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M-2H"	-2.014552
"831379"	86.019124	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-2H"	-2.014552
"90641"	347.098324	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M-H"	-1.007276
"529114"	521.151124	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M-H"	-1.007276
"909837"	173.045524	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-H"	-1.007276
"60078"	364.124871	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M-2H+NH4"	16.019271
"498666"	538.177671	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M-2H+NH4"	16.019271
"879142"	190.072071	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-2H+NH4"	16.019271
"43276"	369.080266	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M-2H+Na"	20.974666
"478827"	543.133066	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M-2H+Na"	20.974666
"856265"	195.027466	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-2H+Na"	20.974666
"1624705"	195.027466	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Na-2H"	20.974666
"101233"	191.033863	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M-H+Cl"	33.962126
"545170"	278.060263	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M-H+Cl"	33.962126
"936495"	104.007463	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-H+Cl"	33.962126
"277240"	383.075002	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+Cl"	34.969402
"668569"	557.127802	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+Cl"	34.969402
"1280971"	209.022202	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Cl"	34.969402
"22435"	385.054206	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M-2H+K"	36.948606
"459809"	559.107006	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M-2H+K"	36.948606
"836516"	211.001406	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-2H+K"	36.948606
"1558912"	211.001406	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+K-2H"	36.948606
"948984"	219.050994	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-H+HCOOH"	44.998194
"372305"	393.103801	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+HCOOH-H"	44.998201
"357653"	407.119451	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+Hac-H"	59.013851
"1505027"	233.066651	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Hac-H"	59.013851
"973311"	241.032951	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-H+NaCOOH"	66.980151
"123673"	209.022202	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+2Cl"	69.938804
"563599"	296.048602	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+2Cl"	69.938804
"1028019"	121.995802	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2Cl"	69.938804
"1246504"	252.971685	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Br"	78.918885
"1311138"	255.027672	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Cl+HCOOH"	80.974872
"1327545"	277.009629	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Cl+NaCOOH"	102.956829
"924072"	287.038386	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M-H+CF3COOH"	112.985586
"1298593"	323.015064	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Cl+CF3COOH"	148.962264
"1377846"	139.040124	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H-2H2O"	-35.012676
"1393160"	157.0501	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H-H2O"	-17.0027
"293939"	349.112876	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+H"	1.007276
"685265"	523.165676	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+H"	1.007276
"1360521"	175.060076	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H"	1.007276
"134506"	175.060076	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+2H"	2.014552
"574064"	262.086476	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+2H"	2.014552
"1042865"	88.033676	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2H"	2.014552
"209673"	117.042476	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+3H"	3.021828
"653607"	175.060076	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+3H"	3.021828
"1171733"	59.024876	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+3H"	3.021828
"431728"	366.139423	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+NH4"	18.033823
"790535"	540.192223	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+NH4"	18.033823
"1690157"	192.086623	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+NH4"	18.033823
"338435"	183.5733495	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+H+NH4"	19.041099
"733040"	270.5997495	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+H+NH4"	19.041099
"1487952"	96.5469495	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H+NH4"	19.041099
"401170"	371.094818	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+Na"	22.989218
"764351"	545.147618	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+Na"	22.989218
"1614637"	197.042018	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Na"	22.989218
"325767"	186.051047	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+H+Na"	23.996494
"717091"	273.077447	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+H+Na"	23.996494
"1470912"	99.024647	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H+Na"	23.996494
"1059780"	66.35219	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2H+Na"	25.00377
"1264741"	207.086286	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+CH3OH+H"	33.033486
"386231"	387.068758	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+K"	38.963158
"744309"	561.121558	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+K"	38.963158
"1551831"	213.015958	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+K"	38.963158
"310100"	194.038017	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+H+K"	39.970434
"704709"	281.064417	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+H+K"	39.970434
"1460353"	107.011617	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H+K"	39.970434
"250413"	390.139426	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+ACN+H"	42.033826
"1223978"	216.086626	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+ACN+H"	42.033826
"1209320"	108.546951	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+ACN+2H"	43.041102
"203163"	393.07676	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+2Na-H"	44.97116
"643858"	567.12956	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+2Na-H"	44.97116
"1141851"	219.02396	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2Na-H"	44.97116
"184048"	197.042018	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+2Na"	45.978436
"620326"	284.068418	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+2Na"	45.978436
"1120917"	110.015618	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2Na"	45.978436
"1406264"	73.679504	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H+2Na"	46.985712
"1440568"	221.065546	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H+HCOOH"	47.012746
"232454"	202.07504	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+3H2O+2H"	56.04448
"1518329"	235.11759	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+IsoProp+H"	61.06479
"421295"	205.028988	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+Na+K"	61.952376
"783386"	292.055388	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+Na+K"	61.952376
"1678621"	118.002588	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Na+K"	61.952376
"262953"	412.121368	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+ACN+Na"	64.015768
"1235663"	238.068568	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+ACN+Na"	64.015768
"1722366"	238.092093	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+NH4+HCOOH"	64.039293
"1188814"	81.006818	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+3Na"	68.967654
"1655424"	243.047488	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Na+HCOOH"	68.994688
"164476"	425.02464	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+2K-H"	76.91904
"611451"	599.07744	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+2K-H"	76.91904
"1092922"	250.97184	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2K-H"	76.91904
"147552"	213.015958	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"2M+2K"	77.926316
"582855"	300.042358	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"3M+2K"	77.926316
"1078192"	125.989558	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2K"	77.926316
"1114327"	252.986392	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2K+H"	78.933592
"1350954"	253.074007	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+DMSO+H"	79.021207
"1019599"	257.113176	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2ACN+H"	83.060376
"1536637"	258.106808	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+IsoProp+Na+H"	84.054008
"1004662"	129.060226	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+2ACN+2H"	84.067652
"1598675"	259.021428	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+K+HCOOH"	84.968628
"1428710"	289.052938	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+H+CF3COOH"	115.000138
"1161673"	149.573501	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+3ACN+2H"	125.094202
"1710737"	306.079485	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+NH4+CF3COOH"	132.026685
"1648208"	311.03488	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+Na+CF3COOH"	136.98208
"1580942"	327.00882	"C04236"	"(2S)-2-Isopropyl-3-oxosuccinate;3-Carboxy-4-methyl-2-oxopentanoate;2-Oxo-4-methyl-3-carboxypentanoate"	"C7H10O5"	"174.0528"	"M+K+CF3COOH"	152.95602
"804745"	146.0579	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M"	0
"977545"	127.03951	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"65422"	96.3646573333333	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"506440"	145.050624	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"882785"	47.6786906666667	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"4645"	145.050624	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"454051"	218.079574	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"830761"	72.021674	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"90751"	291.108524	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"529224"	437.166424	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"911206"	145.050624	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"61281"	308.135071	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"500720"	454.192971	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"879252"	162.077171	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"44480"	313.090466	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"476385"	459.148366	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"855282"	167.032566	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1624815"	167.032566	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"99520"	163.038963	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"548195"	236.067913	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"931866"	90.010013	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"278443"	327.085202	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"669773"	473.143102	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1282175"	181.027302	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"22545"	329.064406	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"463199"	475.122306	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"836626"	183.006506	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1559022"	183.006506	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"949094"	191.056094	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"372779"	337.114001	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"358736"	351.129651	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1506594"	205.071751	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"972812"	213.038051	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"123053"	181.027302	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"562981"	254.056252	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1029222"	107.998352	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1249894"	224.976785	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1310155"	227.032772	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1323642"	249.014729	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"923089"	259.043486	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1296516"	295.020164	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1375769"	111.045224	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1391084"	129.0552	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"291863"	293.123076	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"686835"	439.180976	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1361361"	147.065176	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"132431"	147.065176	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"575269"	220.094126	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1048444"	74.036226	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"213066"	98.3792093333333	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"652626"	147.065176	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1174030"	49.6932426666667	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"432932"	310.149623	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"792832"	456.207523	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1692454"	164.091723	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"338545"	155.5784495	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"732058"	228.6073995	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1490249"	82.5494995	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"401280"	315.105018	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"767741"	461.162918	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1615840"	169.047118	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"329036"	158.056147	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"720481"	231.085097	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1471022"	85.027197	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1060983"	57.0205566666667	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1263758"	179.091386	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"387798"	331.078958	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"744419"	477.136858	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1551941"	185.021058	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"310210"	166.043117	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"705548"	239.072067	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1460343"	93.014167	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"251346"	334.149626	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1224084"	188.091726	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1208092"	94.549501	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"202172"	337.08696	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"637358"	483.14486	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1141961"	191.02906	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"184158"	169.047118	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"618613"	242.076068	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1121755"	96.018168	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1405281"	64.3478706666667	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1440678"	193.070646	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"233658"	174.08014	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1517345"	207.12269	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"421405"	177.034088	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"783495"	250.063038	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1678731"	104.005138	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"261970"	356.131568	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1233587"	210.073668	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1723569"	210.097193	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1186737"	71.6751846666667	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1654442"	215.052588	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"163486"	369.03484	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"609617"	515.09274	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1093032"	222.97694	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"147662"	185.021058	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"583937"	258.050008	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1079395"	111.992108	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1114315"	224.991492	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1349483"	225.079107	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1019709"	229.118276	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1535654"	230.111908	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"1005138"	115.062776	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1598785"	231.026528	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1428700"	261.058038	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1161906"	135.576051	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1710849"	278.084585	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1648318"	283.03998	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1581052"	299.01392	"C04237"	"3-Hydroxy-3-methyl-2-oxopentanoic acid;3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"801602"	326.0315	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M"	0
"981669"	307.01311	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-H2O-H"	-19.01839
"64444"	216.347057333333	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M-3H"	-3.021828
"503273"	325.024224	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M-3H"	-3.021828
"881200"	107.669890666667	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-3H"	-3.021828
"11324"	325.024224	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M-2H"	-2.014552
"446508"	488.039974	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M-2H"	-2.014552
"818843"	162.008474	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-2H"	-2.014552
"91964"	651.055724	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M-H"	-1.007276
"532619"	977.087224	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M-H"	-1.007276
"908233"	325.024224	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-H"	-1.007276
"61515"	668.082271	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M-2H+NH4"	16.019271
"501685"	994.113771	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M-2H+NH4"	16.019271
"875598"	342.050771	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-2H+NH4"	16.019271
"38392"	673.037666	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M-2H+Na"	20.974666
"476496"	999.069166	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M-2H+Na"	20.974666
"852473"	347.006166	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-2H+Na"	20.974666
"1619698"	347.006166	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Na-2H"	20.974666
"108018"	343.012563	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M-H+Cl"	33.962126
"546120"	506.028313	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M-H+Cl"	33.962126
"938905"	179.996813	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-H+Cl"	33.962126
"281837"	687.032402	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+Cl"	34.969402
"668791"	1013.063902	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+Cl"	34.969402
"1280100"	361.000902	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Cl"	34.969402
"27030"	689.011606	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M-2H+K"	36.948606
"462216"	1015.043106	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M-2H+K"	36.948606
"847675"	362.980106	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-2H+K"	36.948606
"1568977"	362.980106	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+K-2H"	36.948606
"955406"	371.029694	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-H+HCOOH"	44.998194
"369617"	697.061201	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+HCOOH-H"	44.998201
"355689"	711.076851	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+Hac-H"	59.013851
"1507927"	385.045351	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Hac-H"	59.013851
"973042"	393.011651	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-H+NaCOOH"	66.980151
"123530"	361.000902	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+2Cl"	69.938804
"562720"	524.016652	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+2Cl"	69.938804
"1027510"	197.985152	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2Cl"	69.938804
"1251100"	404.950385	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Br"	78.918885
"1313549"	407.006372	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Cl+HCOOH"	80.974872
"1332141"	428.988329	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Cl+NaCOOH"	102.956829
"918826"	439.017086	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M-H+CF3COOH"	112.985586
"1299908"	474.993764	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Cl+CF3COOH"	148.962264
"1374791"	291.018824	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H-2H2O"	-35.012676
"1392289"	309.0288	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H-H2O"	-17.0027
"290881"	653.070276	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+H"	1.007276
"683305"	979.101776	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+H"	1.007276
"1358560"	327.038776	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H"	1.007276
"134362"	327.038776	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+2H"	2.014552
"572104"	490.054526	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+2H"	2.014552
"1040174"	164.023026	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2H"	2.014552
"206617"	218.361609333333	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+3H"	3.021828
"649458"	327.038776	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+3H"	3.021828
"1170860"	109.684442666667	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+3H"	3.021828
"433039"	670.096823	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+NH4"	18.033823
"794045"	996.128323	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+NH4"	18.033823
"1690377"	344.065323	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+NH4"	18.033823
"340841"	335.5520495	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+H+NH4"	19.041099
"732167"	498.5677995	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+H+NH4"	19.041099
"1489267"	172.5362995	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H+NH4"	19.041099
"402483"	675.052218	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+Na"	22.989218
"764571"	1001.083718	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+Na"	22.989218
"1614857"	349.020718	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Na"	22.989218
"324890"	338.029747	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+H+Na"	23.996494
"716218"	501.045497	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+H+Na"	23.996494
"1471132"	175.013997	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H+Na"	23.996494
"1058909"	117.011756666667	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2H+Na"	25.00377
"1264961"	359.064986	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+CH3OH+H"	33.033486
"384629"	691.026158	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+K"	38.963158
"743436"	1017.057658	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+K"	38.963158
"1554241"	364.994658	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+K"	38.963158
"309227"	346.016717	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+H+K"	39.970434
"706022"	509.032467	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+H+K"	39.970434
"1459480"	183.000967	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H+K"	39.970434
"250274"	694.096826	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+ACN+H"	42.033826
"1224688"	368.065326	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+ACN+H"	42.033826
"1207230"	184.536301	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+ACN+2H"	43.041102
"203136"	697.03416	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+2Na-H"	44.97116
"638566"	1023.06566	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+2Na-H"	44.97116
"1137696"	371.00266	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2Na-H"	44.97116
"184269"	349.020718	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+2Na"	45.978436
"617266"	512.036468	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+2Na"	45.978436
"1119679"	186.004968	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2Na"	45.978436
"1410861"	124.339070666667	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H+2Na"	46.985712
"1438605"	373.044246	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H+HCOOH"	47.012746
"230487"	354.05374	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+3H2O+2H"	56.04448
"1516361"	387.09629	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+IsoProp+H"	61.06479
"414953"	357.007688	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+Na+K"	61.952376
"779230"	520.023438	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+Na+K"	61.952376
"1673373"	193.991938	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Na+K"	61.952376
"259897"	716.078768	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+ACN+Na"	64.015768
"1236983"	390.047268	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+ACN+Na"	64.015768
"1723681"	390.070793	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+NH4+HCOOH"	64.039293
"1186847"	131.666384666667	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+3Na"	68.967654
"1657833"	395.026188	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Na+HCOOH"	68.994688
"167980"	728.98204	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+2K-H"	76.91904
"607538"	1055.01354	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+2K-H"	76.91904
"1095332"	402.95054	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2K-H"	76.91904
"143399"	364.994658	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"2M+2K"	77.926316
"595846"	528.010408	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"3M+2K"	77.926316
"1081700"	201.978908	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2K"	77.926316
"1113695"	404.965092	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2K+H"	78.933592
"1348015"	405.052707	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+DMSO+H"	79.021207
"1016545"	409.091876	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2ACN+H"	83.060376
"1537709"	410.085508	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+IsoProp+Na+H"	84.054008
"1003304"	205.049576	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+2ACN+2H"	84.067652
"1601087"	411.000128	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+K+HCOOH"	84.968628
"1427477"	441.031638	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+H+CF3COOH"	115.000138
"1159221"	225.562851	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+3ACN+2H"	125.094202
"1708770"	458.058185	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+NH4+CF3COOH"	132.026685
"1646606"	463.01358	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+Na+CF3COOH"	136.98208
"1581163"	478.98752	"C04242"	"5-Fluorodeoxyuridine monophosphate"	"C9H12FN2O8P"	"326.0315"	"M+K+CF3COOH"	152.95602
"802414"	239.1018	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M"	0
"981779"	220.08341	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-H2O-H"	-19.01839
"65282"	158.393924	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M-3H"	-3.021828
"504111"	238.094524	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M-3H"	-3.021828
"883375"	78.693324	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-3H"	-3.021828
"11434"	238.094524	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M-2H"	-2.014552
"445525"	357.645424	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M-2H"	-2.014552
"820046"	118.543624	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-2H"	-2.014552
"90981"	477.196324	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M-H"	-1.007276
"531636"	716.298124	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M-H"	-1.007276
"906156"	238.094524	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-H"	-1.007276
"60409"	494.222871	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M-2H+NH4"	16.019271
"501186"	733.324671	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M-2H+NH4"	16.019271
"875708"	255.121071	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-2H+NH4"	16.019271
"37409"	499.178266	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M-2H+Na"	20.974666
"477699"	738.280066	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M-2H+Na"	20.974666
"850396"	260.076466	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-2H+Na"	20.974666
"1620659"	260.076466	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Na-2H"	20.974666
"103755"	256.082863	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M-H+Cl"	33.962126
"544407"	375.633763	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M-H+Cl"	33.962126
"935735"	136.531963	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-H+Cl"	33.962126
"275387"	513.173002	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+Cl"	34.969402
"665620"	752.274802	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+Cl"	34.969402
"1280210"	274.071202	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Cl"	34.969402
"21673"	515.152206	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M-2H+K"	36.948606
"462326"	754.254006	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M-2H+K"	36.948606
"846692"	276.050406	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-2H+K"	36.948606
"1569452"	276.050406	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+K-2H"	36.948606
"956973"	284.099994	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-H+HCOOH"	44.998194
"368634"	523.201801	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+HCOOH-H"	44.998201
"357987"	537.217451	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+Hac-H"	59.013851
"1504632"	298.115651	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Hac-H"	59.013851
"971082"	306.081951	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-H+NaCOOH"	66.980151
"124004"	274.071202	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+2Cl"	69.938804
"562830"	393.622102	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+2Cl"	69.938804
"1028347"	154.520302	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2Cl"	69.938804
"1252303"	318.020685	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Br"	78.918885
"1314753"	320.076672	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Cl+HCOOH"	80.974872
"1331157"	342.058629	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Cl+NaCOOH"	102.956829
"922215"	352.087386	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M-H+CF3COOH"	112.985586
"1300747"	388.064064	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Cl+CF3COOH"	148.962264
"1375993"	204.089124	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H-2H2O"	-35.012676
"1392399"	222.0991	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H-H2O"	-17.0027
"292082"	479.210876	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+H"	1.007276
"682322"	718.312676	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+H"	1.007276
"1358669"	240.109076	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H"	1.007276
"134835"	240.109076	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+2H"	2.014552
"572212"	359.659976	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+2H"	2.014552
"1045384"	120.558176	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2H"	2.014552
"211099"	160.408476	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+3H"	3.021828
"650659"	240.109076	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+3H"	3.021828
"1168783"	80.707876	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+3H"	3.021828
"432055"	496.237423	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+NH4"	18.033823
"796342"	735.339223	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+NH4"	18.033823
"1689394"	257.135623	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+NH4"	18.033823
"340951"	248.6223495	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+H+NH4"	19.041099
"734463"	368.1732495	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+H+NH4"	19.041099
"1490471"	129.0714495	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H+NH4"	19.041099
"403686"	501.192818	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+Na"	22.989218
"764681"	740.294618	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+Na"	22.989218
"1613873"	262.091018	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Na"	22.989218
"327187"	251.100047	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+H+Na"	23.996494
"716328"	370.650947	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+H+Na"	23.996494
"1472335"	131.549147	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H+Na"	23.996494
"1060111"	88.03519	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2H+Na"	25.00377
"1265071"	272.135286	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+CH3OH+H"	33.033486
"385832"	517.166758	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+K"	38.963158
"743546"	756.268558	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+K"	38.963158
"1553258"	278.064958	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+K"	38.963158
"310430"	259.087017	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+H+K"	39.970434
"705404"	378.637917	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+H+K"	39.970434
"1459955"	139.536117	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H+K"	39.970434
"250507"	520.237426	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+H"	42.033826
"1225513"	281.135626	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+ACN+H"	42.033826
"1206976"	141.071451	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+ACN+2H"	43.041102
"201301"	523.17476	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+2Na-H"	44.97116
"639769"	762.27656	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+2Na-H"	44.97116
"1137441"	284.07296	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2Na-H"	44.97116
"184379"	262.091018	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+2Na"	45.978436
"617741"	381.641918	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+2Na"	45.978436
"1120883"	142.540118	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2Na"	45.978436
"1407693"	95.362504	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H+2Na"	46.985712
"1437623"	286.114546	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H+HCOOH"	47.012746
"228776"	267.12404	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+3H2O+2H"	56.04448
"1513191"	300.16659	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+H"	61.06479
"413969"	270.077988	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+Na+K"	61.952376
"776055"	389.628888	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+Na+K"	61.952376
"1671292"	150.527088	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Na+K"	61.952376
"260007"	542.219368	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+Na"	64.015768
"1232716"	303.117568	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+ACN+Na"	64.015768
"1719417"	303.141093	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+NH4+HCOOH"	64.039293
"1184768"	102.689818	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+3Na"	68.967654
"1657943"	308.096488	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Na+HCOOH"	68.994688
"169182"	555.12264	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+2K-H"	76.91904
"606555"	794.22444	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+2K-H"	76.91904
"1092160"	316.02084	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2K-H"	76.91904
"144602"	278.064958	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"2M+2K"	77.926316
"594008"	397.615858	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"3M+2K"	77.926316
"1083920"	158.514058	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2K"	77.926316
"1115550"	318.035392	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2K+H"	78.933592
"1349097"	318.123007	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+DMSO+H"	79.021207
"1017749"	322.162176	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+H"	83.060376
"1539643"	323.155808	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+Na+H"	84.054008
"1004507"	161.584726	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+2H"	84.067652
"1600103"	324.070428	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+K+HCOOH"	84.968628
"1426858"	354.101938	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+H+CF3COOH"	115.000138
"1160424"	182.098001	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+3ACN+2H"	125.094202
"1708880"	371.128485	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+NH4+CF3COOH"	132.026685
"1643436"	376.08388	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+Na+CF3COOH"	136.98208
"1581273"	392.05782	"C04244"	"6-Lactoyl-5678-tetrahydropterin"	"C9H13N5O3"	"239.1018"	"M+K+CF3COOH"	152.95602
"805080"	490.2203	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M"	0
"985177"	471.20191	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-H2O-H"	-19.01839
"75974"	325.806257333333	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M-3H"	-3.021828
"514078"	489.213024	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M-3H"	-3.021828
"887501"	162.399490666667	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-3H"	-3.021828
"8262"	489.213024	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M-2H"	-2.014552
"446732"	734.323174	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M-2H"	-2.014552
"827817"	244.102874	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-2H"	-2.014552
"87809"	979.433324	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M-H"	-1.007276
"533938"	1469.653624	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M-H"	-1.007276
"910887"	489.213024	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-H"	-1.007276
"54081"	996.459871	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M-2H+NH4"	16.019271
"493642"	1486.680171	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M-2H+NH4"	16.019271
"871443"	506.239571	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-2H+NH4"	16.019271
"38254"	1001.415266	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M-2H+Na"	20.974666
"478908"	1491.635566	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M-2H+Na"	20.974666
"856711"	511.194966	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-2H+Na"	20.974666
"1630619"	511.194966	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Na-2H"	20.974666
"104961"	507.201363	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M-H+Cl"	33.962126
"543427"	752.311513	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M-H+Cl"	33.962126
"936942"	262.091213	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-H+Cl"	33.962126
"275498"	1015.410002	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+Cl"	34.969402
"665733"	1505.630302	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+Cl"	34.969402
"1283605"	525.189702	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Cl"	34.969402
"27259"	1017.389206	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M-2H+K"	36.948606
"466822"	1507.609506	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M-2H+K"	36.948606
"846820"	527.168906	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-2H+K"	36.948606
"1568119"	527.168906	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+K-2H"	36.948606
"949805"	535.218494	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-H+HCOOH"	44.998194
"372034"	1025.438801	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+HCOOH-H"	44.998201
"354819"	1039.454451	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+Hac-H"	59.013851
"1503653"	549.234151	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Hac-H"	59.013851
"967913"	557.200451	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-H+NaCOOH"	66.980151
"117916"	525.189702	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+2Cl"	69.938804
"559667"	770.299852	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+2Cl"	69.938804
"1034662"	280.079552	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2Cl"	69.938804
"1254605"	569.139185	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Br"	78.918885
"1315957"	571.195172	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Cl+HCOOH"	80.974872
"1327986"	593.177129	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Cl+NaCOOH"	102.956829
"922327"	603.205886	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M-H+CF3COOH"	112.985586
"1297941"	639.182564	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Cl+CF3COOH"	148.962264
"1376103"	455.207624	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H-2H2O"	-35.012676
"1392511"	473.2176	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H-H2O"	-17.0027
"287824"	981.447876	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+H"	1.007276
"682432"	1471.668176	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+H"	1.007276
"1358780"	491.227576	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H"	1.007276
"132760"	491.227576	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+2H"	2.014552
"573418"	736.337726	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+2H"	2.014552
"1048780"	246.117426	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2H"	2.014552
"212307"	327.820809333333	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+3H"	3.021828
"658797"	491.227576	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+3H"	3.021828
"1174370"	164.414042666667	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+3H"	3.021828
"431082"	998.474423	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+NH4"	18.033823
"793171"	1488.694723	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+NH4"	18.033823
"1692784"	508.254123	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+NH4"	18.033823
"338874"	499.7408495	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+H+NH4"	19.041099
"735669"	744.8509995	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+H+NH4"	19.041099
"1482927"	254.6306995	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H+NH4"	19.041099
"406709"	1003.429818	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+Na"	22.989218
"764791"	1493.650118	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+Na"	22.989218
"1616168"	513.209518	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Na"	22.989218
"326207"	502.218547	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+H+Na"	23.996494
"721421"	747.328697	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+H+Na"	23.996494
"1475725"	257.108397	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H+Na"	23.996494
"1062408"	171.741356666667	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2H+Na"	25.00377
"1270649"	523.253786	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+CH3OH+H"	33.033486
"391662"	1019.403758	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+K"	38.963158
"752292"	1509.624058	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+K"	38.963158
"1553856"	529.183458	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+K"	38.963158
"311640"	510.205517	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+H+K"	39.970434
"704790"	755.315667	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+H+K"	39.970434
"1456791"	265.095367	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H+K"	39.970434
"249766"	1022.474426	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+ACN+H"	42.033826
"1224420"	532.254126	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+ACN+H"	42.033826
"1206356"	266.630701	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+ACN+2H"	43.041102
"199228"	1025.41176	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+2Na-H"	44.97116
"638785"	1515.63206	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+2Na-H"	44.97116
"1140108"	535.19146	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2Na-H"	44.97116
"176107"	513.209518	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+2Na"	45.978436
"616398"	758.319668	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+2Na"	45.978436
"1120997"	268.099368	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2Na"	45.978436
"1406709"	179.068670666667	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H+2Na"	46.985712
"1436637"	537.233046	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H+HCOOH"	47.012746
"228884"	518.24254	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+3H2O+2H"	56.04448
"1513301"	551.28509	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+IsoProp+H"	61.06479
"414810"	521.196488	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+Na+K"	61.952376
"776171"	766.306638	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+Na+K"	61.952376
"1675785"	276.086338	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Na+K"	61.952376
"260485"	1044.456368	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+ACN+Na"	64.015768
"1235746"	554.236068	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+ACN+Na"	64.015768
"1719528"	554.259593	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+NH4+HCOOH"	64.039293
"1189259"	186.395984666667	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+3Na"	68.967654
"1662435"	559.214988	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Na+HCOOH"	68.994688
"167112"	1057.35964	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+2K-H"	76.91904
"611047"	1547.57994	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+2K-H"	76.91904
"1099372"	567.13934	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2K-H"	76.91904
"156147"	529.183458	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"2M+2K"	77.926316
"593033"	774.293608	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"3M+2K"	77.926316
"1074264"	284.073308	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2K"	77.926316
"1112939"	569.153892	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2K+H"	78.933592
"1349205"	569.241507	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+DMSO+H"	79.021207
"1017856"	573.280676	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2ACN+H"	83.060376
"1538776"	574.274308	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+IsoProp+Na+H"	84.054008
"1001334"	287.143976	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+2ACN+2H"	84.067652
"1601793"	575.188928	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+K+HCOOH"	84.968628
"1426963"	605.220438	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+H+CF3COOH"	115.000138
"1162597"	307.657251	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+3ACN+2H"	125.094202
"1711905"	622.246985	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+NH4+CF3COOH"	132.026685
"1640266"	627.20238	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+Na+CF3COOH"	136.98208
"1578106"	643.17632	"C04251"	"Deoxylimononic acid D-ring-lactone"	"C26H34O9"	"490.2203"	"M+K+CF3COOH"	152.95602
"803368"	301.0468	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M"	0
"988567"	282.02841	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H2O-H"	-19.01839
"77904"	199.690590666667	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-3H"	-3.021828
"510903"	300.039524	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-3H"	-3.021828
"888704"	99.3416573333333	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-3H"	-3.021828
"7280"	300.039524	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H"	-2.014552
"451216"	450.562924	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H"	-2.014552
"825740"	149.516124	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H"	-2.014552
"87915"	601.086324	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H"	-1.007276
"530763"	902.133124	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H"	-1.007276
"903099"	300.039524	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H"	-1.007276
"60392"	618.112871	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+NH4"	16.019271
"495940"	919.159671	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+NH4"	16.019271
"874837"	317.066071	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+NH4"	16.019271
"42739"	623.068266	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+Na"	20.974666
"484486"	924.115066	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+Na"	20.974666
"859009"	322.021466	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+Na"	20.974666
"1630728"	322.021466	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na-2H"	20.974666
"105072"	318.027863	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H+Cl"	33.962126
"545725"	468.551263	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H+Cl"	33.962126
"938146"	167.504463	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+Cl"	33.962126
"275609"	637.063002	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Cl"	34.969402
"666936"	938.109802	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Cl"	34.969402
"1283715"	336.016202	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl"	34.969402
"25190"	639.042206	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+K"	36.948606
"468400"	940.089006	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+K"	36.948606
"841823"	337.995406	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+K"	36.948606
"1564948"	337.995406	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K-2H"	36.948606
"952472"	346.044994	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+HCOOH"	44.998194
"371780"	647.091801	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+HCOOH-H"	44.998201
"352750"	661.107451	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Hac-H"	59.013851
"1501581"	360.060651	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Hac-H"	59.013851
"965843"	368.026951	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+NaCOOH"	66.980151
"118029"	336.016202	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Cl"	69.938804
"557591"	486.539602	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Cl"	69.938804
"1027486"	185.492802	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Cl"	69.938804
"1249247"	379.965685	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Br"	78.918885
"1313881"	382.021672	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+HCOOH"	80.974872
"1328102"	404.003629	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+NaCOOH"	102.956829
"920252"	414.032386	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+CF3COOH"	112.985586
"1299148"	450.009064	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+CF3COOH"	148.962264
"1374033"	266.034124	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-2H2O"	-35.012676
"1391529"	284.0441	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-H2O"	-17.0027
"284653"	603.100876	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H"	1.007276
"681449"	904.147676	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H"	1.007276
"1359984"	302.054076	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H"	1.007276
"132871"	302.054076	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2H"	2.014552
"580091"	452.577476	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2H"	2.014552
"1048891"	151.530676	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H"	2.014552
"214603"	201.705142666667	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H"	3.021828
"657450"	302.054076	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+3H"	3.021828
"1170107"	101.356209333333	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+3H"	3.021828
"431193"	620.127423	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+NH4"	18.033823
"793281"	921.174223	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+NH4"	18.033823
"1688520"	319.080623	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4"	18.033823
"343359"	310.5673495	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+NH4"	19.041099
"736510"	461.0907495	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+NH4"	19.041099
"1486318"	160.0439495	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+NH4"	19.041099
"401716"	625.082818	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na"	22.989218
"763807"	926.129618	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na"	22.989218
"1614091"	324.036018	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na"	22.989218
"327409"	313.045047	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+Na"	23.996494
"722181"	463.568447	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+Na"	23.996494
"1472554"	162.521647	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+Na"	23.996494
"1064705"	108.683523333333	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H+Na"	25.00377
"1268571"	334.080286	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+CH3OH+H"	33.033486
"392173"	641.056758	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+K"	38.963158
"752524"	942.103558	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+K"	38.963158
"1554332"	340.009958	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K"	38.963158
"312478"	321.032017	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+K"	39.970434
"704170"	471.555417	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+K"	39.970434
"1457990"	170.508617	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+K"	39.970434
"247686"	644.127426	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+H"	42.033826
"1221490"	343.080626	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+H"	42.033826
"1205372"	172.043951	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+2H"	43.041102
"201523"	647.06476	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na-H"	44.97116
"637805"	948.11156	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na-H"	44.97116
"1132315"	346.01796	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na-H"	44.97116
"174150"	324.036018	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na"	45.978436
"617235"	474.559418	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na"	45.978436
"1118555"	173.512618	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na"	45.978436
"1406092"	116.010837333333	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+2Na"	46.985712
"1431277"	348.059546	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+HCOOH"	47.012746
"228629"	329.06904	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H2O+2H"	56.04448
"1511588"	362.11159	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+H"	61.06479
"416377"	332.022988	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na+K"	61.952376
"774822"	482.546388	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na+K"	61.952376
"1672247"	181.499588	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+K"	61.952376
"255850"	666.109368	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+Na"	64.015768
"1231840"	365.062568	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+Na"	64.015768
"1721458"	365.086093	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+HCOOH"	64.039293
"1187180"	123.338151333333	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+3Na"	68.967654
"1657079"	370.041488	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+HCOOH"	68.994688
"165036"	679.01264	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K-H"	76.91904
"612011"	980.05944	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K-H"	76.91904
"1099077"	377.96584	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K-H"	76.91904
"156016"	340.009958	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K"	77.926316
"592050"	490.533358	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K"	77.926316
"1077655"	189.486558	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K"	77.926316
"1110863"	379.980392	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K+H"	78.933592
"1346155"	380.068007	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+DMSO+H"	79.021207
"1018940"	384.107176	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+H"	83.060376
"1537185"	385.100808	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+Na+H"	84.054008
"1004363"	192.557226	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+2H"	84.067652
"1598135"	386.015428	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+HCOOH"	84.968628
"1429262"	416.046938	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+CF3COOH"	115.000138
"1162429"	213.070501	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+3ACN+2H"	125.094202
"1712628"	433.073485	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+CF3COOH"	132.026685
"1640377"	438.02888	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+CF3COOH"	136.98208
"1578216"	454.00282	"C04255"	"N-Acetyl-D-galactosamine 6-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+CF3COOH"	152.95602
"802385"	301.0563	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M"	0
"987219"	282.03791	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H2O-H"	-19.01839
"78014"	199.696924	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-3H"	-3.021828
"509920"	300.049024	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-3H"	-3.021828
"891001"	99.344824	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-3H"	-3.021828
"10670"	300.049024	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H"	-2.014552
"450233"	450.577174	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H"	-2.014552
"824756"	149.520874	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H"	-2.014552
"86933"	601.105324	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H"	-1.007276
"527589"	902.161624	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H"	-1.007276
"908674"	300.049024	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H"	-1.007276
"55396"	618.131871	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+NH4"	16.019271
"493862"	919.188171	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+NH4"	16.019271
"877133"	317.075571	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+NH4"	16.019271
"40658"	623.087266	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+Na"	20.974666
"476939"	924.143566	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+Na"	20.974666
"862398"	322.030966	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+Na"	20.974666
"1633024"	322.030966	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na-2H"	20.974666
"104088"	318.037363	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H+Cl"	33.962126
"543648"	468.565513	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H+Cl"	33.962126
"941539"	167.509213	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+Cl"	33.962126
"278999"	637.082002	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Cl"	34.969402
"667045"	938.138302	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Cl"	34.969402
"1282732"	336.025702	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl"	34.969402
"23102"	639.061206	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+K"	36.948606
"469602"	940.117506	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+K"	36.948606
"844486"	338.004906	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+K"	36.948606
"1567244"	338.004906	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K-2H"	36.948606
"954768"	346.054494	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+HCOOH"	44.998194
"371162"	647.110801	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+HCOOH-H"	44.998201
"356869"	661.126451	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Hac-H"	59.013851
"1502785"	360.070151	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Hac-H"	59.013851
"968139"	368.036451	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+NaCOOH"	66.980151
"119962"	336.025702	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Cl"	69.938804
"558063"	486.553852	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Cl"	69.938804
"1031968"	185.497552	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Cl"	69.938804
"1252639"	379.975185	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Br"	78.918885
"1314721"	382.031172	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+HCOOH"	80.974872
"1328573"	404.013129	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+NaCOOH"	102.956829
"921090"	414.041886	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+CF3COOH"	112.985586
"1297068"	450.018564	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+CF3COOH"	148.962264
"1380702"	266.043624	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-2H2O"	-35.012676
"1390544"	284.0536	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-H2O"	-17.0027
"294605"	603.119876	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H"	1.007276
"687028"	904.176176	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H"	1.007276
"1359001"	302.063576	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H"	1.007276
"139547"	302.063576	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2H"	2.014552
"580935"	452.591726	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2H"	2.014552
"1049000"	151.535426	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H"	2.014552
"215809"	201.711476	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H"	3.021828
"656102"	302.063576	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+3H"	3.021828
"1176779"	101.359376	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3H"	3.021828
"438594"	620.146423	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+NH4"	18.033823
"798859"	921.202723	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+NH4"	18.033823
"1695920"	319.090123	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4"	18.033823
"345215"	310.5768495	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+NH4"	19.041099
"737349"	461.1049995	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+NH4"	19.041099
"1491169"	160.0486995	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+NH4"	19.041099
"404747"	625.101818	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na"	22.989218
"769469"	926.158118	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na"	22.989218
"1617482"	324.045518	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na"	22.989218
"329467"	313.054547	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+Na"	23.996494
"721157"	463.582697	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+Na"	23.996494
"1474852"	162.526397	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+Na"	23.996494
"1065909"	108.68669	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H+Na"	25.00377
"1268681"	334.089786	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+CH3OH+H"	33.033486
"390905"	641.075758	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+K"	38.963158
"754109"	942.132058	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+K"	38.963158
"1552131"	340.019458	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K"	38.963158
"311859"	321.041517	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+K"	39.970434
"703185"	471.569667	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+K"	39.970434
"1457735"	170.513367	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+K"	39.970434
"245607"	644.146426	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+H"	42.033826
"1224759"	343.090126	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+H"	42.033826
"1207671"	172.048701	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+2H"	43.041102
"203458"	647.08376	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na-H"	44.97116
"635728"	948.14006	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na-H"	44.97116
"1139236"	346.02746	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na-H"	44.97116
"180339"	324.045518	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na"	45.978436
"618806"	474.573668	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na"	45.978436
"1121219"	173.517368	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na"	45.978436
"1405836"	116.014004	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+2Na"	46.985712
"1431022"	348.069046	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+HCOOH"	47.012746
"225459"	329.07854	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H2O+2H"	56.04448
"1511335"	362.12109	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+H"	61.06479
"411749"	332.032488	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na+K"	61.952376
"775298"	482.560638	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na+K"	61.952376
"1670170"	181.504338	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+K"	61.952376
"258512"	666.128368	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+Na"	64.015768
"1231950"	365.072068	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+Na"	64.015768
"1719745"	365.095593	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+HCOOH"	64.039293
"1182918"	123.341318	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3Na"	68.967654
"1654635"	370.050988	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+HCOOH"	68.994688
"166239"	679.03164	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K-H"	76.91904
"611267"	980.08794	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K-H"	76.91904
"1099597"	377.97534	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K-H"	76.91904
"156618"	340.019458	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K"	77.926316
"596659"	490.547608	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K"	77.926316
"1076671"	189.491308	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K"	77.926316
"1112066"	379.989892	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K+H"	78.933592
"1350154"	380.077507	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+DMSO+H"	79.021207
"1019777"	384.116676	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+H"	83.060376
"1538387"	385.110308	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+Na+H"	84.054008
"1003743"	192.561976	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+2H"	84.067652
"1599338"	386.024928	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+HCOOH"	84.968628
"1427185"	416.056438	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+CF3COOH"	115.000138
"1159659"	213.075251	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3ACN+2H"	125.094202
"1711396"	433.082985	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+CF3COOH"	132.026685
"1640487"	438.03838	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+CF3COOH"	136.98208
"1578326"	454.01232	"C04256"	"N-Acetyl-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+CF3COOH"	152.95602
"805411"	301.0563	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M"	0
"987693"	282.03791	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H2O-H"	-19.01839
"75938"	199.696924	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-3H"	-3.021828
"513310"	300.049024	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-3H"	-3.021828
"891111"	99.344824	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-3H"	-3.021828
"10780"	300.049024	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H"	-2.014552
"448155"	450.577174	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H"	-2.014552
"818304"	149.520874	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H"	-2.014552
"83762"	601.105324	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H"	-1.007276
"519679"	902.161624	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H"	-1.007276
"900034"	300.049024	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H"	-1.007276
"54409"	618.131871	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+NH4"	16.019271
"491056"	919.188171	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+NH4"	16.019271
"877243"	317.075571	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+NH4"	16.019271
"37488"	623.087266	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+Na"	20.974666
"478142"	924.143566	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+Na"	20.974666
"860320"	322.030966	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+Na"	20.974666
"1630946"	322.030966	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na-2H"	20.974666
"106383"	318.037363	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H+Cl"	33.962126
"547037"	468.565513	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H+Cl"	33.962126
"935084"	167.509213	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+Cl"	33.962126
"278016"	637.082002	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Cl"	34.969402
"668248"	938.138302	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Cl"	34.969402
"1278466"	336.025702	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl"	34.969402
"25399"	639.061206	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+K"	36.948606
"468248"	940.117506	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+K"	36.948606
"846782"	338.004906	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+K"	36.948606
"1567355"	338.004906	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K-2H"	36.948606
"956336"	346.054494	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+HCOOH"	44.998194
"373454"	647.110801	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+HCOOH-H"	44.998201
"355156"	661.126451	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Hac-H"	59.013851
"1503624"	360.070151	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Hac-H"	59.013851
"970069"	368.036451	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+NaCOOH"	66.980151
"117880"	336.025702	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Cl"	69.938804
"559998"	486.553852	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Cl"	69.938804
"1029889"	185.497552	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Cl"	69.938804
"1251655"	379.975185	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Br"	78.918885
"1314102"	382.031172	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+HCOOH"	80.974872
"1328319"	404.013129	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+NaCOOH"	102.956829
"921563"	414.041886	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+CF3COOH"	112.985586
"1299365"	450.018564	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+CF3COOH"	148.962264
"1376436"	266.043624	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-2H2O"	-35.012676
"1391745"	284.0536	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-H2O"	-17.0027
"285232"	603.119876	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H"	1.007276
"679479"	904.176176	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H"	1.007276
"1352544"	302.063576	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H"	1.007276
"133092"	302.063576	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2H"	2.014552
"570466"	452.591726	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2H"	2.014552
"1039264"	151.535426	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H"	2.014552
"207165"	201.711476	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H"	3.021828
"647817"	302.063576	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+3H"	3.021828
"1178312"	101.359376	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3H"	3.021828
"439068"	620.146423	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+NH4"	18.033823
"801043"	921.202723	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+NH4"	18.033823
"1695668"	319.090123	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4"	18.033823
"344676"	310.5768495	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+NH4"	19.041099
"737097"	461.1049995	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+NH4"	19.041099
"1492496"	160.0486995	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+NH4"	19.041099
"406314"	625.101818	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na"	22.989218
"767308"	926.158118	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na"	22.989218
"1618439"	324.045518	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na"	22.989218
"329089"	313.054547	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+Na"	23.996494
"722608"	463.582697	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+Na"	23.996494
"1474962"	162.526397	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+Na"	23.996494
"1066019"	108.68669	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H+Na"	25.00377
"1267698"	334.089786	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+CH3OH+H"	33.033486
"391744"	641.075758	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+K"	38.963158
"754129"	942.132058	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+K"	38.963158
"1552607"	340.019458	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K"	38.963158
"312335"	321.041517	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+K"	39.970434
"703296"	471.569667	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+K"	39.970434
"1456023"	170.513367	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+K"	39.970434
"250216"	644.146426	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+H"	42.033826
"1223168"	343.090126	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+H"	42.033826
"1208390"	172.048701	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+2H"	43.041102
"201744"	647.08376	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na-H"	44.97116
"632558"	948.14006	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na-H"	44.97116
"1134972"	346.02746	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na-H"	44.97116
"180449"	324.045518	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na"	45.978436
"616729"	474.573668	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na"	45.978436
"1118049"	173.517368	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na"	45.978436
"1405946"	116.014004	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+2Na"	46.985712
"1431499"	348.069046	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+HCOOH"	47.012746
"225566"	329.07854	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H2O+2H"	56.04448
"1513631"	362.12109	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+H"	61.06479
"410036"	332.032488	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na+K"	61.952376
"771398"	482.560638	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na+K"	61.952376
"1666269"	181.504338	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+K"	61.952376
"254248"	666.128368	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+Na"	64.015768
"1232424"	365.072068	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+Na"	64.015768
"1717664"	365.095593	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+HCOOH"	64.039293
"1183028"	123.341318	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3Na"	68.967654
"1656203"	370.050988	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+HCOOH"	68.994688
"166349"	679.03164	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K-H"	76.91904
"611013"	980.08794	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K-H"	76.91904
"1099733"	377.97534	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K-H"	76.91904
"154893"	340.019458	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K"	77.926316
"596399"	490.547608	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K"	77.926316
"1075689"	189.491308	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K"	77.926316
"1112176"	379.989892	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K+H"	78.933592
"1350627"	380.077507	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+DMSO+H"	79.021207
"1020129"	384.116676	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+H"	83.060376
"1538496"	385.110308	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+Na+H"	84.054008
"1003852"	192.561976	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+2H"	84.067652
"1599448"	386.024928	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+HCOOH"	84.968628
"1428388"	416.056438	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+CF3COOH"	115.000138
"1158676"	213.075251	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3ACN+2H"	125.094202
"1711506"	433.082985	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+CF3COOH"	132.026685
"1640597"	438.03838	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+CF3COOH"	136.98208
"1578436"	454.01232	"C04257"	"N-Acetyl-D-mannosamine 6-phosphate;N-Acetylmannosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+CF3COOH"	152.95602
"812085"	183.1008	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M"	0
"982338"	164.08241	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-H2O-H"	-19.01839
"69485"	121.059924	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M-3H"	-3.021828
"510139"	182.093524	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M-3H"	-3.021828
"885753"	60.026324	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-3H"	-3.021828
"7614"	182.093524	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M-2H"	-2.014552
"441707"	273.643924	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M-2H"	-2.014552
"817317"	90.543124	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-2H"	-2.014552
"89347"	365.194324	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M-H"	-1.007276
"528907"	548.295124	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M-H"	-1.007276
"905614"	182.093524	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-H"	-1.007276
"52700"	382.220871	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M-2H+NH4"	16.019271
"499552"	565.321671	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M-2H+NH4"	16.019271
"877353"	199.120071	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-2H+NH4"	16.019271
"44529"	387.176266	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M-2H+Na"	20.974666
"482629"	570.277066	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M-2H+Na"	20.974666
"861526"	204.075466	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-2H+Na"	20.974666
"1624498"	204.075466	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Na-2H"	20.974666
"104307"	200.081863	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M-H+Cl"	33.962126
"541679"	291.632263	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M-H+Cl"	33.962126
"931914"	108.531463	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-H+Cl"	33.962126
"272660"	401.171002	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+Cl"	34.969402
"660708"	584.271802	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+Cl"	34.969402
"1276392"	218.070202	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Cl"	34.969402
"27706"	403.150206	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M-2H+K"	36.948606
"470185"	586.251006	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M-2H+K"	36.948606
"847504"	220.049406	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-2H+K"	36.948606
"1568560"	220.049406	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+K-2H"	36.948606
"955350"	228.098994	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-H+HCOOH"	44.998194
"373566"	411.199801	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+HCOOH-H"	44.998201
"358909"	425.215451	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+Hac-H"	59.013851
"1501910"	242.114651	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Hac-H"	59.013851
"969450"	250.080951	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-H+NaCOOH"	66.980151
"120546"	218.070202	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+2Cl"	69.938804
"559013"	309.620602	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+2Cl"	69.938804
"1028908"	126.519802	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2Cl"	69.938804
"1251765"	262.019685	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Br"	78.918885
"1313120"	264.075672	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Cl+HCOOH"	80.974872
"1327337"	286.057629	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Cl+NaCOOH"	102.956829
"920582"	296.086386	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M-H+CF3COOH"	112.985586
"1291823"	332.063064	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Cl+CF3COOH"	148.962264
"1375452"	148.088124	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H-2H2O"	-35.012676
"1386388"	166.0981	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H-H2O"	-17.0027
"282988"	367.208876	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+H"	1.007276
"677037"	550.309676	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+H"	1.007276
"1354847"	184.108076	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H"	1.007276
"134299"	184.108076	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+2H"	2.014552
"573859"	275.658476	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+2H"	2.014552
"1045938"	92.557676	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2H"	2.014552
"206183"	123.074476	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+3H"	3.021828
"658874"	184.108076	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+3H"	3.021828
"1175905"	62.040876	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+3H"	3.021828
"439468"	384.235423	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+NH4"	18.033823
"800664"	567.336223	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+NH4"	18.033823
"1696142"	201.134623	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+NH4"	18.033823
"342597"	192.6213495	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+H+NH4"	19.041099
"738060"	284.1717495	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+H+NH4"	19.041099
"1489202"	101.0709495	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H+NH4"	19.041099
"404967"	389.190818	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+Na"	22.989218
"766690"	572.291618	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+Na"	22.989218
"1617583"	206.090018	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Na"	22.989218
"328711"	195.099047	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+H+Na"	23.996494
"721619"	286.649447	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+H+Na"	23.996494
"1472522"	103.548647	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H+Na"	23.996494
"1068122"	69.36819	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2H+Na"	25.00377
"1270362"	216.134286	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+CH3OH+H"	33.033486
"392635"	405.164758	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+K"	38.963158
"752122"	588.265558	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+K"	38.963158
"1553081"	222.063958	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+K"	38.963158
"309893"	203.086017	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+H+K"	39.970434
"701218"	294.636417	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+H+K"	39.970434
"1456134"	111.535617	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H+K"	39.970434
"248020"	408.235426	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+ACN+H"	42.033826
"1222916"	225.134626	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+ACN+H"	42.033826
"1203517"	113.070951	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+ACN+2H"	43.041102
"194204"	411.17276	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+2Na-H"	44.97116
"632305"	594.27356	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+2Na-H"	44.97116
"1132648"	228.07196	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2Na-H"	44.97116
"174484"	206.090018	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+2Na"	45.978436
"617931"	297.640418	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+2Na"	45.978436
"1117426"	114.539618	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2Na"	45.978436
"1408240"	76.695504	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H+2Na"	46.985712
"1434888"	230.113546	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H+HCOOH"	47.012746
"222398"	211.12304	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+3H2O+2H"	56.04448
"1509732"	244.16559	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+IsoProp+H"	61.06479
"409415"	214.076988	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+Na+K"	61.952376
"771508"	305.627388	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+Na+K"	61.952376
"1667106"	122.526588	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Na+K"	61.952376
"253260"	430.217368	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+ACN+Na"	64.015768
"1232178"	247.116568	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+ACN+Na"	64.015768
"1717785"	247.140093	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+NH4+HCOOH"	64.039293
"1186422"	84.022818	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+3Na"	68.967654
"1656314"	252.095488	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Na+HCOOH"	68.994688
"163178"	443.12064	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+2K-H"	76.91904
"609300"	626.22144	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+2K-H"	76.91904
"1094906"	260.01984	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2K-H"	76.91904
"156467"	222.063958	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"2M+2K"	77.926316
"593471"	313.614358	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"3M+2K"	77.926316
"1082358"	130.513558	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2K"	77.926316
"1114474"	262.034392	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2K+H"	78.933592
"1348672"	262.122007	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+DMSO+H"	79.021207
"1020361"	266.161176	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2ACN+H"	83.060376
"1538607"	267.154808	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+IsoProp+Na+H"	84.054008
"1005612"	133.584226	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+2ACN+2H"	84.067652
"1598465"	268.069428	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+K+HCOOH"	84.968628
"1425217"	298.100938	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+H+CF3COOH"	115.000138
"1156599"	154.097501	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+3ACN+2H"	125.094202
"1698495"	315.127485	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+NH4+CF3COOH"	132.026685
"1636332"	320.08288	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+Na+CF3COOH"	136.98208
"1573445"	336.05682	"C04259"	"NN-Dimethylhistidine;NalphaNalpha-Dimethyl-L-histidine"	"C8H13N3O2"	"183.1008"	"M+K+CF3COOH"	152.95602
"815114"	273.9299	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M"	0
"979169"	254.91151	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-H2O-H"	-19.01839
"76161"	181.612657333333	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M-3H"	-3.021828
"510255"	272.922624	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M-3H"	-3.021828
"894500"	90.3026906666666	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-3H"	-3.021828
"13196"	272.922624	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M-2H"	-2.014552
"454100"	409.887574	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M-2H"	-2.014552
"830201"	135.957674	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-2H"	-2.014552
"90193"	546.852524	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M-H"	-1.007276
"530848"	820.782424	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M-H"	-1.007276
"907552"	272.922624	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-H"	-1.007276
"52450"	563.879071	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M-2H+NH4"	16.019271
"494199"	837.808971	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M-2H+NH4"	16.019271
"870907"	289.949171	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-2H+NH4"	16.019271
"40995"	568.834466	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M-2H+Na"	20.974666
"481649"	842.764366	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M-2H+Na"	20.974666
"857262"	294.904566	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-2H+Na"	20.974666
"1624609"	294.904566	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Na-2H"	20.974666
"97857"	290.910963	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M-H+Cl"	33.962126
"535594"	427.875913	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M-H+Cl"	33.962126
"932027"	153.946013	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-H+Cl"	33.962126
"279334"	582.829202	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+Cl"	34.969402
"668484"	856.759102	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+Cl"	34.969402
"1285262"	308.899302	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Cl"	34.969402
"28912"	584.808406	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M-2H+K"	36.948606
"469567"	858.738306	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M-2H+K"	36.948606
"842629"	310.878506	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-2H+K"	36.948606
"1568670"	310.878506	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+K-2H"	36.948606
"956554"	318.928094	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-H+HCOOH"	44.998194
"374044"	592.858001	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+HCOOH-H"	44.998201
"359749"	606.873651	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+Hac-H"	59.013851
"1500925"	332.943751	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Hac-H"	59.013851
"969927"	340.910051	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-H+NaCOOH"	66.980151
"118471"	308.899302	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+2Cl"	69.938804
"562406"	445.864252	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+2Cl"	69.938804
"1029019"	171.934352	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2Cl"	69.938804
"1249689"	352.848785	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Br"	78.918885
"1311044"	354.904772	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Cl+HCOOH"	80.974872
"1325261"	376.886729	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Cl+NaCOOH"	102.956829
"913038"	386.915486	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M-H+CF3COOH"	112.985586
"1291936"	422.892164	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Cl+CF3COOH"	148.962264
"1373376"	238.917224	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H-2H2O"	-35.012676
"1387596"	256.9272	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H-H2O"	-17.0027
"293843"	548.867076	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+H"	1.007276
"689547"	822.796976	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+H"	1.007276
"1366508"	274.937176	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H"	1.007276
"138785"	274.937176	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+2H"	2.014552
"580170"	411.902126	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+2H"	2.014552
"1048969"	137.972226	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2H"	2.014552
"218575"	183.627209333333	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+3H"	3.021828
"657890"	274.937176	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+3H"	3.021828
"1176745"	92.3172426666667	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+3H"	3.021828
"436008"	565.893623	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+NH4"	18.033823
"798826"	839.823523	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+NH4"	18.033823
"1696375"	291.963723	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+NH4"	18.033823
"338331"	283.4504495	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+H+NH4"	19.041099
"735125"	420.4153995	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+H+NH4"	19.041099
"1488946"	146.4854995	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H+NH4"	19.041099
"405077"	570.849018	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+Na"	22.989218
"768626"	844.778918	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+Na"	22.989218
"1616845"	296.919118	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Na"	22.989218
"328464"	285.928147	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+H+Na"	23.996494
"721615"	422.893097	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+H+Na"	23.996494
"1476653"	148.963197	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H+Na"	23.996494
"1067953"	99.6445566666666	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2H+Na"	25.00377
"1272471"	306.963386	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+CH3OH+H"	33.033486
"392542"	586.822958	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+K"	38.963158
"753208"	860.752858	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+K"	38.963158
"1552826"	312.893058	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+K"	38.963158
"310737"	293.915117	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+H+K"	39.970434
"706077"	430.880067	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+H+K"	39.970434
"1447866"	156.950167	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H+K"	39.970434
"242663"	589.893626	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+ACN+H"	42.033826
"1216465"	315.963726	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+ACN+H"	42.033826
"1200347"	158.485501	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+ACN+2H"	43.041102
"192125"	592.83096	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+2Na-H"	44.97116
"629861"	866.76086	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+2Na-H"	44.97116
"1133122"	318.90106	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2Na-H"	44.97116
"173659"	296.919118	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+2Na"	45.978436
"613217"	433.884068	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+2Na"	45.978436
"1117176"	159.954168	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2Na"	45.978436
"1398707"	106.971870666667	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H+2Na"	46.985712
"1429970"	320.942646	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H+HCOOH"	47.012746
"220927"	301.95214	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+3H2O+2H"	56.04448
"1509235"	334.99469	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+IsoProp+H"	61.06479
"410262"	304.906088	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+Na+K"	61.952376
"772350"	441.871038	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+Na+K"	61.952376
"1668683"	167.941138	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Na+K"	61.952376
"260674"	611.875568	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+ACN+Na"	64.015768
"1234482"	337.945668	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+ACN+Na"	64.015768
"1721182"	337.969193	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+NH4+HCOOH"	64.039293
"1190910"	114.299184666667	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+3Na"	68.967654
"1661896"	342.924588	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Na+HCOOH"	68.994688
"167665"	624.77884	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+2K-H"	76.91904
"608319"	898.70874	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+2K-H"	76.91904
"1093927"	350.84894	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2K-H"	76.91904
"147461"	312.893058	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"2M+2K"	77.926316
"589207"	449.858008	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"3M+2K"	77.926316
"1073721"	175.928108	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2K"	77.926316
"1113490"	352.863492	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2K+H"	78.933592
"1341128"	352.951107	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+DMSO+H"	79.021207
"1019498"	356.990276	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2ACN+H"	83.060376
"1536530"	357.983908	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+IsoProp+Na+H"	84.054008
"999698"	178.998776	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+2ACN+2H"	84.067652
"1595293"	358.898528	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+K+HCOOH"	84.968628
"1417675"	388.930038	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+H+CF3COOH"	115.000138
"1151243"	199.512051	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+3ACN+2H"	125.094202
"1702982"	405.956585	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+NH4+CF3COOH"	132.026685
"1640821"	410.91198	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+Na+CF3COOH"	136.98208
"1575379"	426.88592	"C04264"	"S-(4-Bromophenyl)-mercaptopyruvate"	"C9H7BrO3S"	"273.9299"	"M+K+CF3COOH"	152.95602
"803558"	580.3459	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M"	0
"979279"	561.32751	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-H2O-H"	-19.01839
"64602"	385.889990666667	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M-3H"	-3.021828
"512551"	579.338624	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M-3H"	-3.021828
"894734"	192.441357333333	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-3H"	-3.021828
"14399"	579.338624	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M-2H"	-2.014552
"453969"	869.511574	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M-2H"	-2.014552
"830310"	289.165674	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-2H"	-2.014552
"91032"	1159.684524	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M-H"	-1.007276
"531931"	1740.030424	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M-H"	-1.007276
"908755"	579.338624	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-H"	-1.007276
"55840"	1176.711071	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M-2H+NH4"	16.019271
"494309"	1757.056971	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M-2H+NH4"	16.019271
"871017"	596.365171	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-2H+NH4"	16.019271
"38917"	1181.666466	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M-2H+Na"	20.974666
"482851"	1762.012366	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M-2H+Na"	20.974666
"860652"	601.320566	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-2H+Na"	20.974666
"1624719"	601.320566	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Na-2H"	20.974666
"96144"	597.326963	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M-H+Cl"	33.962126
"535459"	887.499913	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M-H+Cl"	33.962126
"933230"	307.154013	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-H+Cl"	33.962126
"279443"	1195.661202	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+Cl"	34.969402
"667136"	1776.007102	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+Cl"	34.969402
"1283185"	615.315302	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Cl"	34.969402
"29022"	1197.640406	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M-2H+K"	36.948606
"469677"	1777.986306	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M-2H+K"	36.948606
"839823"	617.294506	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-2H+K"	36.948606
"1564404"	617.294506	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+K-2H"	36.948606
"955570"	625.344094	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-H+HCOOH"	44.998194
"374881"	1205.690001	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+HCOOH-H"	44.998201
"359493"	1219.705651	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+Hac-H"	59.013851
"1501034"	639.359751	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Hac-H"	59.013851
"968578"	647.326051	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-H+NaCOOH"	66.980151
"113114"	615.315302	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+2Cl"	69.938804
"554861"	905.488252	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+2Cl"	69.938804
"1024025"	325.142352	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2Cl"	69.938804
"1246519"	659.264785	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Br"	78.918885
"1305440"	661.320772	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Cl+HCOOH"	80.974872
"1324276"	683.302729	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Cl+NaCOOH"	102.956829
"911687"	693.331486	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M-H+CF3COOH"	112.985586
"1292046"	729.308164	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Cl+CF3COOH"	148.962264
"1368743"	545.333224	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H-2H2O"	-35.012676
"1386611"	563.3432	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H-H2O"	-17.0027
"289578"	1161.699076	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+H"	1.007276
"689655"	1742.044976	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+H"	1.007276
"1365643"	581.353176	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H"	1.007276
"138894"	581.353176	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+2H"	2.014552
"579550"	871.526126	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+2H"	2.014552
"1049443"	291.180226	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2H"	2.014552
"219414"	387.904542666667	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+3H"	3.021828
"659218"	581.353176	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+3H"	3.021828
"1178236"	194.455909333333	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+3H"	3.021828
"435025"	1178.725623	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+NH4"	18.033823
"798207"	1759.071523	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+NH4"	18.033823
"1694537"	598.379723	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+NH4"	18.033823
"340628"	589.8664495	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+H+NH4"	19.041099
"735236"	880.0393995	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+H+NH4"	19.041099
"1489787"	299.6934995	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H+NH4"	19.041099
"407738"	1183.681018	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+Na"	22.989218
"769225"	1764.026918	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+Na"	22.989218
"1617200"	603.335118	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Na"	22.989218
"328937"	592.344147	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+H+Na"	23.996494
"721854"	882.517097	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+H+Na"	23.996494
"1476280"	302.171197	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H+Na"	23.996494
"1067460"	201.783223333333	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2H+Na"	25.00377
"1271574"	613.379386	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+CH3OH+H"	33.033486
"391728"	1199.654958	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+K"	38.963158
"753807"	1780.000858	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+K"	38.963158
"1553549"	619.309058	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+K"	38.963158
"311209"	600.331117	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+H+K"	39.970434
"705335"	890.504067	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+H+K"	39.970434
"1451984"	310.158167	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H+K"	39.970434
"240586"	1202.725626	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+ACN+H"	42.033826
"1218760"	622.379726	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+ACN+H"	42.033826
"1202643"	311.693501	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+ACN+2H"	43.041102
"192234"	1205.66296	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+2Na-H"	44.97116
"630334"	1786.00886	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+2Na-H"	44.97116
"1132623"	625.31706	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2Na-H"	44.97116
"173609"	603.335118	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+2Na"	45.978436
"613057"	893.508068	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+2Na"	45.978436
"1118379"	313.162168	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2Na"	45.978436
"1398986"	209.110537333333	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H+2Na"	46.985712
"1431831"	627.358646	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H+HCOOH"	47.012746
"220795"	608.36814	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+3H2O+2H"	56.04448
"1509953"	641.41069	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+IsoProp+H"	61.06479
"412561"	611.322088	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+Na+K"	61.952376
"772460"	901.495038	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+Na+K"	61.952376
"1673168"	321.149138	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Na+K"	61.952376
"261879"	1224.707568	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+ACN+Na"	64.015768
"1235685"	644.361668	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+ACN+Na"	64.015768
"1721292"	644.385193	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+NH4+HCOOH"	64.039293
"1192970"	216.437851333333	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+3Na"	68.967654
"1664924"	649.340588	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Na+HCOOH"	68.994688
"167776"	1237.61084	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+2K-H"	76.91904
"611346"	1817.95674	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+2K-H"	76.91904
"1097317"	657.26494	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2K-H"	76.91904
"149758"	619.309058	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"2M+2K"	77.926316
"588225"	909.482008	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"3M+2K"	77.926316
"1072738"	329.136108	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2K"	77.926316
"1109227"	659.279492	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2K+H"	78.933592
"1346706"	659.367107	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+DMSO+H"	79.021207
"1014143"	663.406276	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2ACN+H"	83.060376
"1531175"	664.399908	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+IsoProp+Na+H"	84.054008
"994342"	332.206776	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+2ACN+2H"	84.067652
"1598685"	665.314528	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+K+HCOOH"	84.968628
"1421065"	695.346038	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+H+CF3COOH"	115.000138
"1152446"	352.720051	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+3ACN+2H"	125.094202
"1699813"	712.372585	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+NH4+CF3COOH"	132.026685
"1635826"	717.32798	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+Na+CF3COOH"	136.98208
"1572207"	733.30192	"C04265"	"alphaalpha-Trehalose 6-palmitate"	"C28H52O12"	"580.3459"	"M+K+CF3COOH"	152.95602
"816311"	547.0968	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M"	0
"987049"	528.07841	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H2O-H"	-19.01839
"77479"	363.723924	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-3H"	-3.021828
"517407"	546.089524	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-3H"	-3.021828
"890469"	181.358324	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-3H"	-3.021828
"12324"	546.089524	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H"	-2.014552
"454072"	819.637924	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H"	-2.014552
"831267"	272.541124	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H"	-2.014552
"88586"	1093.186324	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-H"	-1.007276
"529610"	1640.283124	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-H"	-1.007276
"906680"	546.089524	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H"	-1.007276
"57045"	1110.212871	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+NH4"	16.019271
"497700"	1657.309671	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+NH4"	16.019271
"871128"	563.116071	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H+NH4"	16.019271
"35748"	1115.168266	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+Na"	20.974666
"480776"	1662.265066	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+Na"	20.974666
"860763"	568.071466	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H+Na"	20.974666
"1628109"	568.071466	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na-2H"	20.974666
"99171"	564.077863	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-H+Cl"	33.962126
"537638"	837.626263	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-H+Cl"	33.962126
"934441"	290.529463	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+Cl"	33.962126
"275189"	1129.163002	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Cl"	34.969402
"664330"	1676.259802	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+Cl"	34.969402
"1288042"	582.066202	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl"	34.969402
"28767"	1131.142206	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+K"	36.948606
"470767"	1678.239006	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+K"	36.948606
"844308"	584.045406	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H+K"	36.948606
"1568524"	584.045406	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K-2H"	36.948606
"954952"	592.094994	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+HCOOH"	44.998194
"372802"	1139.191801	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+HCOOH-H"	44.998201
"355591"	1153.207451	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Hac-H"	59.013851
"1498957"	606.110651	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Hac-H"	59.013851
"965407"	614.076951	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+NaCOOH"	66.980151
"120513"	582.066202	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2Cl"	69.938804
"558251"	855.614602	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2Cl"	69.938804
"1033245"	308.517802	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2Cl"	69.938804
"1244807"	626.015685	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Br"	78.918885
"1306889"	628.071672	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+HCOOH"	80.974872
"1325114"	650.053629	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+NaCOOH"	102.956829
"914713"	660.082386	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+CF3COOH"	112.985586
"1291057"	696.059064	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+CF3COOH"	148.962264
"1368489"	512.084124	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H-2H2O"	-35.012676
"1386721"	530.0941	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H-H2O"	-17.0027
"287501"	1095.200876	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H"	1.007276
"689767"	1642.297676	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H"	1.007276
"1366482"	548.104076	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H"	1.007276
"137912"	548.104076	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2H"	2.014552
"574194"	821.652476	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2H"	2.014552
"1050284"	274.555676	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2H"	2.014552
"213080"	365.738476	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+3H"	3.021828
"656650"	548.104076	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+3H"	3.021828
"1171860"	183.372876	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+3H"	3.021828
"430759"	1112.227423	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+NH4"	18.033823
"795032"	1659.324223	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+NH4"	18.033823
"1694649"	565.130623	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+NH4"	18.033823
"344388"	556.6173495	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H+NH4"	19.041099
"737536"	830.1657495	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H+NH4"	19.041099
"1490992"	283.0689495	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+NH4"	19.041099
"406026"	1117.182818	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Na"	22.989218
"768842"	1664.279618	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+Na"	22.989218
"1617917"	570.086018	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na"	22.989218
"327707"	559.095047	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H+Na"	23.996494
"719404"	832.643447	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H+Na"	23.996494
"1473226"	285.546647	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+Na"	23.996494
"1066472"	190.70019	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2H+Na"	25.00377
"1271188"	580.130286	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+CH3OH+H"	33.033486
"388909"	1133.156758	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+K"	38.963158
"750999"	1680.253558	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+K"	38.963158
"1549769"	586.059958	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K"	38.963158
"309131"	567.082017	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H+K"	39.970434
"694990"	840.630417	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H+K"	39.970434
"1449176"	293.533617	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+K"	39.970434
"237411"	1136.227426	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+H"	42.033826
"1212312"	589.130626	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+H"	42.033826
"1196189"	295.068951	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+2H"	43.041102
"191975"	1139.16476	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na-H"	44.97116
"629713"	1686.26156	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na-H"	44.97116
"1133217"	592.06796	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2Na-H"	44.97116
"174441"	570.086018	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na"	45.978436
"614246"	843.634418	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na"	45.978436
"1116174"	296.537618	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2Na"	45.978436
"1402016"	198.027504	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+2Na"	46.985712
"1431214"	594.109546	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+HCOOH"	47.012746
"227111"	575.11904	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+3H2O+2H"	56.04448
"1516265"	608.16159	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+H"	61.06479
"417046"	578.072988	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Na+K"	61.952376
"778042"	851.621388	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+Na+K"	61.952376
"1673281"	304.524588	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na+K"	61.952376
"255433"	1158.209368	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+Na"	64.015768
"1235797"	611.112568	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+Na"	64.015768
"1720309"	611.136093	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+HCOOH"	64.039293
"1191131"	205.354818	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+3Na"	68.967654
"1662118"	616.091488	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na+HCOOH"	68.994688
"170074"	1171.11264	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2K-H"	76.91904
"606354"	1718.20944	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2K-H"	76.91904
"1093052"	624.01584	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2K-H"	76.91904
"155216"	586.059958	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2K"	77.926316
"588338"	859.608358	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2K"	77.926316
"1077224"	312.511558	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2K"	77.926316
"1108247"	626.030392	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2K+H"	78.933592
"1342444"	626.118007	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+DMSO+H"	79.021207
"1010975"	630.157176	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+H"	83.060376
"1536753"	631.150808	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+Na+H"	84.054008
"998827"	315.582226	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+2H"	84.067652
"1593330"	632.065428	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K+HCOOH"	84.968628
"1422269"	662.096938	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+CF3COOH"	115.000138
"1154746"	336.095501	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+3ACN+2H"	125.094202
"1703203"	679.123485	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+CF3COOH"	132.026685
"1642138"	684.07888	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na+CF3COOH"	136.98208
"1582163"	700.05282	"C04268"	"dTDP-4-amino-46-dideoxy-D-glucose;dTDP-4-amino-46-dideoxy-alpha-D-glucose;dTDP-viosamine;dTDP-4-amino-46-dideoxy-alpha-D-glucopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K+CF3COOH"	152.95602
"803778"	256.0736	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M"	0
"988982"	237.05521	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"76493"	169.708457333333	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"518377"	255.066324	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"892766"	84.3505906666667	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"14621"	255.066324	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"455037"	383.103124	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"830894"	127.029524	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"92343"	511.139924	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"529348"	767.213524	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"906062"	255.066324	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"56063"	528.166471	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"498903"	784.240071	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"871238"	272.092871	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"39138"	533.121866	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"479793"	789.195466	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"861967"	277.048266	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1630406"	277.048266	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"99281"	273.054663	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"536655"	401.091463	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"934549"	145.017863	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"280767"	547.116602	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"675185"	803.190202	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1287415"	291.043002	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"31271"	549.095806	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"466250"	805.169406	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"848067"	293.022206	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1568271"	293.022206	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"953967"	301.071794	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"370725"	557.145401	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"355338"	571.161051	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1501983"	315.087451	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"970620"	323.053751	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"119896"	291.043002	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"551801"	419.079802	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1026068"	163.006202	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1247832"	334.992485	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1311375"	337.048472	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1320242"	359.030429	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"915190"	369.059186	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1289344"	405.035864	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1368964"	221.060924	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1385736"	239.0709	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"287612"	513.154476	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"686594"	769.228076	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1359665"	257.080876	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"139115"	257.080876	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"573210"	385.117676	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1051487"	129.044076	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"217562"	171.723009333333	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"656395"	257.080876	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1175980"	86.3651426666667	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"434148"	530.181023	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"796236"	786.254623	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1693663"	274.107423	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"340848"	265.5941495	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"734364"	393.6309495	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1490370"	137.5573495	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"399208"	535.136418	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"767858"	791.210018	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1616324"	279.062818	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"328790"	268.071847	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"720600"	396.108647	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1472241"	140.035047	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1066213"	93.6924566666667	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1270078"	289.107086	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"389747"	551.110358	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"750010"	807.183958	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1549880"	295.036758	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"305960"	276.058817	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"697289"	404.095617	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1447098"	148.022017	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"238252"	554.181026	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1212422"	298.107426	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1194596"	149.557351	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"189655"	557.11836	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"628974"	813.19196	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1132477"	301.04476	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"174066"	279.062818	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"613870"	407.099618	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1116361"	151.026018	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1405406"	101.019770666667	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1435336"	303.086346	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"227218"	284.09584	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1516375"	317.13839	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"416062"	287.049788	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"778152"	415.086588	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1670108"	159.012988	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"261010"	576.162968	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1237001"	320.089368	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1723699"	320.112893	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1189054"	108.347084666667	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1663321"	325.068288	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"171277"	589.06624	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"606464"	845.13984	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1088789"	332.99264	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"152167"	295.036758	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"586262"	423.073558	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1077335"	166.999958	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1107263"	335.007192	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1342554"	335.094807	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1011084"	339.133976	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1534676"	340.127608	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"997843"	170.070626	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1593439"	341.042228	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1418006"	371.073738	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1153763"	190.583901	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1703313"	388.100285	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1642248"	393.05568	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1585553"	409.02962	"C04271"	"39-Dihydroxypterocarpan;(6aR11aR)-39-Dihydroxypterocarpan"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"803889"	134.0579	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M"	0
"974544"	115.03951	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-H2O-H"	-19.01839
"76603"	88.3646573333333	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M-3H"	-3.021828
"518444"	133.050624	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M-3H"	-3.021828
"895501"	43.6786906666667	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-3H"	-3.021828
"14373"	133.050624	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M-2H"	-2.014552
"455021"	200.079574	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M-2H"	-2.014552
"831369"	66.021674	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-2H"	-2.014552
"92453"	267.108524	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M-H"	-1.007276
"532740"	401.166424	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M-H"	-1.007276
"906172"	133.050624	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-H"	-1.007276
"58361"	284.135071	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M-2H+NH4"	16.019271
"499015"	418.192971	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M-2H+NH4"	16.019271
"874628"	150.077171	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-2H+NH4"	16.019271
"38154"	289.090466	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M-2H+Na"	20.974666
"477716"	423.148366	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M-2H+Na"	20.974666
"858800"	155.032566	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-2H+Na"	20.974666
"1630516"	155.032566	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Na-2H"	20.974666
"98298"	151.038963	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M-H+Cl"	33.962126
"536765"	218.067913	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M-H+Cl"	33.962126
"932472"	84.010013	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-H+Cl"	33.962126
"280877"	303.085202	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+Cl"	34.969402
"675212"	437.143102	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+Cl"	34.969402
"1288462"	169.027302	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Cl"	34.969402
"31335"	305.064406	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M-2H+K"	36.948606
"466725"	439.122306	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M-2H+K"	36.948606
"847977"	171.006506	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-2H+K"	36.948606
"1570654"	171.006506	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+K-2H"	36.948606
"956266"	179.056094	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-H+HCOOH"	44.998194
"372658"	313.114001	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+HCOOH-H"	44.998201
"355812"	327.129651	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+Hac-H"	59.013851
"1505738"	193.071751	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Hac-H"	59.013851
"965626"	201.038051	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-H+NaCOOH"	66.980151
"120001"	169.027302	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+2Cl"	69.938804
"558471"	236.056252	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+2Cl"	69.938804
"1032740"	101.998352	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2Cl"	69.938804
"1251222"	212.976785	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Br"	78.918885
"1311486"	215.032772	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Cl+HCOOH"	80.974872
"1320474"	237.014729	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Cl+NaCOOH"	102.956829
"912751"	247.043486	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M-H+CF3COOH"	112.985586
"1292006"	283.020164	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Cl+CF3COOH"	148.962264
"1370168"	99.045224	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H-2H2O"	-35.012676
"1385846"	117.0552	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H-H2O"	-17.0027
"287722"	269.123076	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+H"	1.007276
"686704"	403.180976	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+H"	1.007276
"1359774"	135.065176	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H"	1.007276
"141008"	135.065176	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+2H"	2.014552
"575506"	202.094126	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+2H"	2.014552
"1051961"	68.036226	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2H"	2.014552
"216581"	90.3792093333333	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+3H"	3.021828
"656139"	135.065176	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+3H"	3.021828
"1174266"	45.6932426666667	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+3H"	3.021828
"433166"	286.149623	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+NH4"	18.033823
"795252"	420.207523	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+NH4"	18.033823
"1693046"	152.091723	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+NH4"	18.033823
"342418"	143.5784495	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+H+NH4"	19.041099
"737393"	210.6073995	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+H+NH4"	19.041099
"1489387"	76.5494995	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H+NH4"	19.041099
"406972"	291.105018	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+Na"	22.989218
"767968"	425.162918	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+Na"	22.989218
"1616068"	157.047118	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Na"	22.989218
"329590"	146.056147	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+H+Na"	23.996494
"721804"	213.085097	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+H+Na"	23.996494
"1474537"	79.027197	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H+Na"	23.996494
"1067780"	53.0205566666667	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2H+Na"	25.00377
"1271282"	167.091386	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+CH3OH+H"	33.033486
"389127"	307.078958	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+K"	38.963158
"752309"	441.136858	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+K"	38.963158
"1549992"	173.021058	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+K"	38.963158
"306072"	154.043117	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+H+K"	39.970434
"697400"	221.072067	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+H+K"	39.970434
"1449034"	87.014167	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H+K"	39.970434
"238362"	310.149626	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+ACN+H"	42.033826
"1213626"	176.091726	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+ACN+H"	42.033826
"1195682"	88.549501	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+ACN+2H"	43.041102
"190375"	313.08696	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+2Na-H"	44.97116
"628627"	447.14486	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+2Na-H"	44.97116
"1134540"	179.02906	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2Na-H"	44.97116
"173047"	157.047118	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+2Na"	45.978436
"613087"	224.076068	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+2Na"	45.978436
"1115798"	90.018168	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2Na"	45.978436
"1402600"	60.3478706666667	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H+2Na"	46.985712
"1438726"	181.070646	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H+HCOOH"	47.012746
"227328"	162.08014	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+3H2O+2H"	56.04448
"1516485"	195.12269	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+IsoProp+H"	61.06479
"416172"	165.034088	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+Na+K"	61.952376
"779355"	232.063038	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+Na+K"	61.952376
"1670218"	98.005138	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Na+K"	61.952376
"261120"	332.131568	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+ACN+Na"	64.015768
"1230550"	198.073668	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+ACN+Na"	64.015768
"1726729"	198.097193	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+NH4+HCOOH"	64.039293
"1193174"	67.6751846666667	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+3Na"	68.967654
"1664525"	203.052588	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Na+HCOOH"	68.994688
"171387"	345.03484	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+2K-H"	76.91904
"608760"	479.09274	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+2K-H"	76.91904
"1094367"	210.97694	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2K-H"	76.91904
"155194"	173.021058	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"2M+2K"	77.926316
"594024"	240.050008	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"3M+2K"	77.926316
"1078536"	105.992108	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2K"	77.926316
"1112839"	212.991492	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2K+H"	78.933592
"1341569"	213.079107	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+DMSO+H"	79.021207
"1015567"	217.118276	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2ACN+H"	83.060376
"1533692"	218.111908	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+IsoProp+Na+H"	84.054008
"1001233"	109.062776	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+2ACN+2H"	84.067652
"1592455"	219.026528	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+K+HCOOH"	84.968628
"1418116"	249.058038	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+H+CF3COOH"	115.000138
"1156059"	129.576051	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+3ACN+2H"	125.094202
"1705611"	266.084585	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+NH4+CF3COOH"	132.026685
"1641265"	271.03998	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+Na+CF3COOH"	136.98208
"1585663"	287.01392	"C04272"	"(R)-23-Dihydroxy-3-methylbutanoate;(R)-23-Dihydroxy-isovalerate;(R)-23-Dihydroxy-isovaleric acid;(2R)-23-Dihydroxy-3-methylbutanoate"	"C5H10O4"	"134.0579"	"M+K+CF3COOH"	152.95602
"802906"	295.1056	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M"	0
"974368"	276.08721	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-H2O-H"	-19.01839
"67965"	195.729790666667	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M-3H"	-3.021828
"515182"	294.098324	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M-3H"	-3.021828
"889706"	97.3612573333333	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-3H"	-3.021828
"12654"	294.098324	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M-2H"	-2.014552
"455131"	441.651124	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M-2H"	-2.014552
"828922"	146.545524	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-2H"	-2.014552
"87825"	589.203924	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M-H"	-1.007276
"531633"	884.309524	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M-H"	-1.007276
"904095"	294.098324	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-H"	-1.007276
"51910"	606.230471	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M-2H+NH4"	16.019271
"495844"	901.336071	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M-2H+NH4"	16.019271
"871456"	311.124871	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-2H+NH4"	16.019271
"32552"	611.185866	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M-2H+Na"	20.974666
"471825"	906.291466	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M-2H+Na"	20.974666
"851253"	316.080266	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-2H+Na"	20.974666
"1625158"	316.080266	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Na-2H"	20.974666
"97678"	312.086663	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M-H+Cl"	33.962126
"535049"	459.639463	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M-H+Cl"	33.962126
"931489"	164.533863	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-H+Cl"	33.962126
"274426"	625.180602	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+Cl"	34.969402
"674383"	920.286202	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+Cl"	34.969402
"1280344"	330.075002	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Cl"	34.969402
"21807"	627.159806	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M-2H+K"	36.948606
"462461"	922.265406	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M-2H+K"	36.948606
"843544"	332.054206	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-2H+K"	36.948606
"1570318"	332.054206	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+K-2H"	36.948606
"953822"	340.103794	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-H+HCOOH"	44.998194
"368757"	635.209401	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+HCOOH-H"	44.998201
"357015"	649.225051	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+Hac-H"	59.013851
"1506941"	354.119451	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Hac-H"	59.013851
"967921"	362.085751	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-H+NaCOOH"	66.980151
"116829"	330.075002	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+2Cl"	69.938804
"554202"	477.627802	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+2Cl"	69.938804
"1032484"	182.522202	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2Cl"	69.938804
"1253883"	374.024485	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Br"	78.918885
"1318521"	376.080472	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Cl+HCOOH"	80.974872
"1320344"	398.062429	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Cl+NaCOOH"	102.956829
"912252"	408.091186	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M-H+CF3COOH"	112.985586
"1291389"	444.067864	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Cl+CF3COOH"	148.962264
"1368456"	260.092924	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H-2H2O"	-35.012676
"1387050"	278.1029	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H-H2O"	-17.0027
"287832"	591.218476	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+H"	1.007276
"684627"	886.324076	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+H"	1.007276
"1357696"	296.112876	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H"	1.007276
"140552"	296.112876	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+2H"	2.014552
"574523"	443.665676	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+2H"	2.014552
"1052563"	148.560076	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2H"	2.014552
"215597"	197.744342666667	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+3H"	3.021828
"652969"	296.112876	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+3H"	3.021828
"1174376"	99.3758093333333	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+3H"	3.021828
"434368"	608.245023	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+NH4"	18.033823
"795363"	903.350623	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+NH4"	18.033823
"1691697"	313.139423	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+NH4"	18.033823
"342892"	304.6261495	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+H+NH4"	19.041099
"736407"	452.1789495	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+H+NH4"	19.041099
"1489497"	157.0733495	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H+NH4"	19.041099
"403802"	613.200418	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+Na"	22.989218
"764797"	908.306018	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+Na"	22.989218
"1615813"	318.094818	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Na"	22.989218
"328278"	307.103847	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+H+Na"	23.996494
"717540"	454.656647	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+H+Na"	23.996494
"1473554"	159.551047	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H+Na"	23.996494
"1065704"	106.703123333333	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2H+Na"	25.00377
"1267384"	328.139086	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+CH3OH+H"	33.033486
"390330"	629.174358	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+K"	38.963158
"751326"	924.279958	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+K"	38.963158
"1552286"	334.068758	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+K"	38.963158
"303995"	315.090817	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+H+K"	39.970434
"698604"	462.643617	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+H+K"	39.970434
"1447322"	167.538017	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H+K"	39.970434
"236285"	632.245026	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+ACN+H"	42.033826
"1214830"	337.139426	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+ACN+H"	42.033826
"1195061"	169.073351	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+ACN+2H"	43.041102
"188702"	635.18236	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+2Na-H"	44.97116
"628541"	930.28796	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+2Na-H"	44.97116
"1132827"	340.07676	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2Na-H"	44.97116
"173195"	318.094818	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+2Na"	45.978436
"612930"	465.647618	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+2Na"	45.978436
"1116627"	170.542018	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2Na"	45.978436
"1402709"	114.030437333333	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H+2Na"	46.985712
"1434096"	342.118346	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H+HCOOH"	47.012746
"220185"	323.12784	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+3H2O+2H"	56.04448
"1515502"	356.17039	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+IsoProp+H"	61.06479
"416282"	326.081788	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+Na+K"	61.952376
"778371"	473.634588	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+Na+K"	61.952376
"1670328"	178.528988	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Na+K"	61.952376
"252476"	654.226968	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+ACN+Na"	64.015768
"1237218"	359.121368	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+ACN+Na"	64.015768
"1725013"	359.144893	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+NH4+HCOOH"	64.039293
"1190368"	121.357751333333	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+3Na"	68.967654
"1664635"	364.100288	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Na+HCOOH"	68.994688
"169310"	667.13024	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+2K-H"	76.91904
"608870"	962.23584	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+2K-H"	76.91904
"1094477"	372.02464	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2K-H"	76.91904
"154574"	334.068758	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"2M+2K"	77.926316
"590853"	481.621558	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"3M+2K"	77.926316
"1078646"	186.515958	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2K"	77.926316
"1112949"	374.039192	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2K+H"	78.933592
"1349331"	374.126807	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+DMSO+H"	79.021207
"1016770"	378.165976	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2ACN+H"	83.060376
"1539027"	379.159608	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+IsoProp+Na+H"	84.054008
"1000249"	189.586626	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+2ACN+2H"	84.067652
"1591472"	380.074228	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+K+HCOOH"	84.968628
"1416039"	410.105738	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+H+CF3COOH"	115.000138
"1156169"	210.099901	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+3ACN+2H"	125.094202
"1706814"	427.132285	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+NH4+CF3COOH"	132.026685
"1641375"	432.08768	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+Na+CF3COOH"	136.98208
"1585773"	448.06162	"C04273"	"(S)-Mandelonitrile beta-D-glucoside"	"C14H17NO6"	"295.1056"	"M+K+CF3COOH"	152.95602
"803016"	195.0532	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M"	0
"974962"	176.03481	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-H2O-H"	-19.01839
"69168"	129.028190666667	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M-3H"	-3.021828
"515292"	194.045924	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M-3H"	-3.021828
"890910"	64.0104573333333	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-3H"	-3.021828
"12764"	194.045924	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M-2H"	-2.014552
"453418"	291.572524	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M-2H"	-2.014552
"827939"	96.519324	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-2H"	-2.014552
"89026"	389.099124	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M-H"	-1.007276
"528584"	584.152324	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M-H"	-1.007276
"905298"	194.045924	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-H"	-1.007276
"50927"	406.125671	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M-2H+NH4"	16.019271
"497046"	601.178871	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M-2H+NH4"	16.019271
"868287"	211.072471	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-2H+NH4"	16.019271
"31587"	411.081066	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M-2H+Na"	20.974666
"471571"	606.134266	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M-2H+Na"	20.974666
"856829"	216.027866	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-2H+Na"	20.974666
"1625268"	216.027866	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Na-2H"	20.974666
"97423"	212.034263	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M-H+Cl"	33.962126
"534916"	309.560863	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M-H+Cl"	33.962126
"930870"	114.507663	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-H+Cl"	33.962126
"268701"	425.075802	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+Cl"	34.969402
"672428"	620.129002	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+Cl"	34.969402
"1286653"	230.022602	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Cl"	34.969402
"20094"	427.055006	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M-2H+K"	36.948606
"459652"	622.108206	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M-2H+K"	36.948606
"841468"	232.001806	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-2H+K"	36.948606
"1563861"	232.001806	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+K-2H"	36.948606
"948462"	240.051394	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-H+HCOOH"	44.998194
"367774"	435.104601	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+HCOOH-H"	44.998201
"354939"	449.120251	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+Hac-H"	59.013851
"1504865"	254.067051	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Hac-H"	59.013851
"964752"	262.033351	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-H+NaCOOH"	66.980151
"115846"	230.022602	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+2Cl"	69.938804
"558687"	327.549202	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+2Cl"	69.938804
"1031137"	132.496002	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2Cl"	69.938804
"1252172"	273.972085	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Br"	78.918885
"1314983"	276.028072	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Cl+HCOOH"	80.974872
"1320451"	298.010029	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Cl+NaCOOH"	102.956829
"914426"	308.038786	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M-H+CF3COOH"	112.985586
"1291863"	344.015464	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Cl+CF3COOH"	148.962264
"1374036"	160.040524	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H-2H2O"	-35.012676
"1388253"	178.0505	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H-H2O"	-17.0027
"285755"	391.113676	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+H"	1.007276
"682553"	586.166876	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+H"	1.007276
"1363276"	196.060476	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H"	1.007276
"140904"	196.060476	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+2H"	2.014552
"576820"	293.587076	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+2H"	2.014552
"1052427"	98.533876	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2H"	2.014552
"215707"	131.042742666667	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+3H"	3.021828
"655266"	196.060476	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+3H"	3.021828
"1173393"	66.0250093333333	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+3H"	3.021828
"433385"	408.140223	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+NH4"	18.033823
"795476"	603.193423	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+NH4"	18.033823
"1693631"	213.087023	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+NH4"	18.033823
"343002"	204.5737495	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+H+NH4"	19.041099
"738263"	302.1003495	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+H+NH4"	19.041099
"1490700"	107.0471495	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H+NH4"	19.041099
"405007"	413.095618	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+Na"	22.989218
"764907"	608.148818	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+Na"	22.989218
"1615194"	218.042418	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Na"	22.989218
"326323"	207.051447	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+H+Na"	23.996494
"715465"	304.578047	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+H+Na"	23.996494
"1472568"	109.524847	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H+Na"	23.996494
"1063628"	73.3523233333333	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2H+Na"	25.00377
"1268585"	228.086686	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+CH3OH+H"	33.033486
"388253"	429.069558	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+K"	38.963158
"744877"	624.122758	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+K"	38.963158
"1546930"	234.016358	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+K"	38.963158
"301921"	215.038417	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+H+K"	39.970434
"692276"	312.565017	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+H+K"	39.970434
"1447068"	117.511817	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H+K"	39.970434
"235950"	432.140226	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+ACN+H"	42.033826
"1210930"	237.087026	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+ACN+H"	42.033826
"1194523"	119.047151	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+ACN+2H"	43.041102
"189139"	435.07756	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+2Na-H"	44.97116
"629432"	630.13076	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+2Na-H"	44.97116
"1131964"	240.02436	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2Na-H"	44.97116
"174032"	218.042418	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+2Na"	45.978436
"613351"	315.569018	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+2Na"	45.978436
"1115842"	120.515818	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2Na"	45.978436
"1399660"	80.6796373333333	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H+2Na"	46.985712
"1436030"	242.065946	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H+HCOOH"	47.012746
"220986"	223.07544	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+3H2O+2H"	56.04448
"1513426"	256.11799	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+IsoProp+H"	61.06479
"413113"	226.029388	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+Na+K"	61.952376
"776296"	323.555988	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+Na+K"	61.952376
"1670439"	128.502788	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Na+K"	61.952376
"254774"	454.122168	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+ACN+Na"	64.015768
"1236234"	259.068968	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+ACN+Na"	64.015768
"1725123"	259.092493	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+NH4+HCOOH"	64.039293
"1190477"	88.0069513333333	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+3Na"	68.967654
"1663651"	264.047888	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Na+HCOOH"	68.994688
"169420"	467.02544	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+2K-H"	76.91904
"610074"	662.07864	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+2K-H"	76.91904
"1094587"	271.97224	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2K-H"	76.91904
"153227"	234.016358	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"2M+2K"	77.926316
"590963"	331.542958	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"3M+2K"	77.926316
"1079849"	136.489758	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2K"	77.926316
"1111964"	273.986792	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2K+H"	78.933592
"1349083"	274.074407	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+DMSO+H"	79.021207
"1016879"	278.113576	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2ACN+H"	83.060376
"1535006"	279.107208	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+IsoProp+Na+H"	84.054008
"1001451"	139.560426	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+2ACN+2H"	84.067652
"1591583"	280.021828	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+K+HCOOH"	84.968628
"1416149"	310.053338	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+H+CF3COOH"	115.000138
"1150811"	160.073701	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+3ACN+2H"	125.094202
"1706924"	327.079885	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+NH4+CF3COOH"	132.026685
"1641485"	332.03528	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+Na+CF3COOH"	136.98208
"1585883"	348.00922	"C04274"	"12-Epoxy-3-(p-Nitrophenoxy)propane;EPNP"	"C9H9NO4"	"195.0532"	"M+K+CF3COOH"	152.95602
"805312"	592.1792	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M"	0
"975926"	573.16081	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-H2O-H"	-19.01839
"65995"	393.778857333333	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M-3H"	-3.021828
"517226"	591.171924	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M-3H"	-3.021828
"889926"	196.385790666667	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-3H"	-3.021828
"10687"	591.171924	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M-2H"	-2.014552
"453528"	887.261524	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M-2H"	-2.014552
"829142"	295.082324	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-2H"	-2.014552
"90229"	1183.351124	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M-H"	-1.007276
"531611"	1775.530324	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M-H"	-1.007276
"905408"	591.171924	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-H"	-1.007276
"51038"	1200.377671	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M-2H+NH4"	16.019271
"493876"	1792.556871	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M-2H+NH4"	16.019271
"871678"	608.198471	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-2H+NH4"	16.019271
"34110"	1205.333066	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M-2H+Na"	20.974666
"473671"	1797.512266	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M-2H+Na"	20.974666
"858032"	613.153866	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-2H+Na"	20.974666
"1625378"	613.153866	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Na-2H"	20.974666
"99719"	609.160263	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M-H+Cl"	33.962126
"535999"	905.249863	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M-H+Cl"	33.962126
"931708"	313.070663	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-H+Cl"	33.962126
"273913"	1219.327802	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+Cl"	34.969402
"660207"	1811.507002	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+Cl"	34.969402
"1283847"	627.148602	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Cl"	34.969402
"22028"	1221.307006	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M-2H+K"	36.948606
"468151"	1813.486206	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M-2H+K"	36.948606
"840483"	629.127806	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-2H+K"	36.948606
"1562879"	629.127806	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+K-2H"	36.948606
"947115"	637.177394	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-H+HCOOH"	44.998194
"367886"	1229.356601	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+HCOOH-H"	44.998201
"350676"	1243.372251	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+Hac-H"	59.013851
"1495134"	651.193051	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Hac-H"	59.013851
"961582"	659.159351	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-H+NaCOOH"	66.980151
"115955"	627.148602	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+2Cl"	69.938804
"553690"	923.238202	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+2Cl"	69.938804
"1029785"	331.059002	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2Cl"	69.938804
"1252643"	671.098085	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Br"	78.918885
"1313997"	673.154072	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Cl+HCOOH"	80.974872
"1324937"	695.136029	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Cl+NaCOOH"	102.956829
"914174"	705.164786	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M-H+CF3COOH"	112.985586
"1291247"	741.141464	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Cl+CF3COOH"	148.962264
"1373051"	557.166524	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H-2H2O"	-35.012676
"1388363"	575.1765	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H-H2O"	-17.0027
"288053"	1185.365676	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+H"	1.007276
"684849"	1777.544876	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+H"	1.007276
"1364478"	593.186476	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H"	1.007276
"138460"	593.186476	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+2H"	2.014552
"576929"	889.276076	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+2H"	2.014552
"1051198"	297.096876	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2H"	2.014552
"213631"	395.793409333333	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+3H"	3.021828
"656470"	593.186476	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+3H"	3.021828
"1173502"	198.400342666667	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+3H"	3.021828
"431308"	1202.392223	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+NH4"	18.033823
"796678"	1794.571423	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+NH4"	18.033823
"1693009"	610.213023	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+NH4"	18.033823
"343112"	601.6997495	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+H+NH4"	19.041099
"737725"	897.7893495	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+H+NH4"	19.041099
"1488623"	305.6101495	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H+NH4"	19.041099
"405115"	1207.347618	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+Na"	22.989218
"763924"	1799.526818	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+Na"	22.989218
"1614209"	615.168418	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Na"	22.989218
"326434"	604.177447	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+H+Na"	23.996494
"721041"	900.267047	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+H+Na"	23.996494
"1473771"	308.087847	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H+Na"	23.996494
"1065925"	205.727656666667	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2H+Na"	25.00377
"1272019"	625.212686	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+CH3OH+H"	33.033486
"388363"	1223.321558	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+K"	38.963158
"751913"	1815.500758	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+K"	38.963158
"1548134"	631.142358	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+K"	38.963158
"299236"	612.164417	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+H+K"	39.970434
"693359"	908.254017	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+H+K"	39.970434
"1446814"	316.074817	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H+K"	39.970434
"237604"	1226.392226	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+ACN+H"	42.033826
"1211527"	634.213026	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+ACN+H"	42.033826
"1194473"	317.610151	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+ACN+2H"	43.041102
"189125"	1229.32956	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+2Na-H"	44.97116
"629539"	1821.50876	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+2Na-H"	44.97116
"1132232"	637.15036	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2Na-H"	44.97116
"173656"	615.168418	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+2Na"	45.978436
"613581"	911.258018	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+2Na"	45.978436
"1117946"	319.078818	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2Na"	45.978436
"1399891"	213.054970666667	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H+2Na"	46.985712
"1436140"	639.191946	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H+HCOOH"	47.012746
"221096"	620.20144	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+3H2O+2H"	56.04448
"1509277"	653.24399	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+IsoProp+H"	61.06479
"408797"	623.155388	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+Na+K"	61.952376
"772395"	919.244988	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+Na+K"	61.952376
"1667269"	327.065788	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Na+K"	61.952376
"264727"	1248.374168	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+ACN+Na"	64.015768
"1237437"	656.194968	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+ACN+Na"	64.015768
"1726691"	656.218493	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+NH4+HCOOH"	64.039293
"1192773"	220.382284666667	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+3Na"	68.967654
"1663034"	661.173888	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Na+HCOOH"	68.994688
"170626"	1261.27744	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+2K-H"	76.91904
"611278"	1853.45664	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+2K-H"	76.91904
"1095063"	669.09824	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2K-H"	76.91904
"150419"	631.142358	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"2M+2K"	77.926316
"593259"	927.231958	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"3M+2K"	77.926316
"1081418"	335.052758	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2K"	77.926316
"1112441"	671.112792	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2K+H"	78.933592
"1347006"	671.200407	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+DMSO+H"	79.021207
"1020029"	675.239576	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2ACN+H"	83.060376
"1536939"	676.233208	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+IsoProp+Na+H"	84.054008
"1004480"	338.123426	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+2ACN+2H"	84.067652
"1588045"	677.147828	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+K+HCOOH"	84.968628
"1416261"	707.179338	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+H+CF3COOH"	115.000138
"1153109"	358.636701	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+3ACN+2H"	125.094202
"1707034"	724.205885	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+NH4+CF3COOH"	132.026685
"1641595"	729.16128	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+Na+CF3COOH"	136.98208
"1585993"	745.13522	"C04275"	"12-Bis-O-sinapoyl-beta-D-glucoside"	"C28H32O14"	"592.1792"	"M+K+CF3COOH"	152.95602
"804330"	226.1681	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M"	0
"986612"	207.14971	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-H2O-H"	-19.01839
"78476"	149.771457333333	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M-3H"	-3.021828
"518460"	225.160824	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M-3H"	-3.021828
"893314"	74.3820906666667	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-3H"	-3.021828
"10796"	225.160824	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M-2H"	-2.014552
"454730"	338.244874	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M-2H"	-2.014552
"831439"	112.076774	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-2H"	-2.014552
"89245"	451.328924	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M-H"	-1.007276
"526625"	677.497024	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M-H"	-1.007276
"902240"	225.160824	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-H"	-1.007276
"51145"	468.355471	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M-2H+NH4"	16.019271
"491799"	694.523571	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M-2H+NH4"	16.019271
"865831"	242.187371	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-2H+NH4"	16.019271
"36406"	473.310866	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M-2H+Na"	20.974666
"477060"	699.478966	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M-2H+Na"	20.974666
"851582"	247.142766	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-2H+Na"	20.974666
"1624395"	247.142766	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Na-2H"	20.974666
"98739"	243.149163	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M-H+Cl"	33.962126
"540489"	356.233213	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M-H+Cl"	33.962126
"931456"	130.065113	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-H+Cl"	33.962126
"273662"	487.305602	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+Cl"	34.969402
"665717"	713.473702	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+Cl"	34.969402
"1276298"	261.137502	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Cl"	34.969402
"23231"	489.284806	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M-2H+K"	36.948606
"462792"	715.452906	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M-2H+K"	36.948606
"840593"	263.116706	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-2H+K"	36.948606
"1566269"	263.116706	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+K-2H"	36.948606
"954880"	271.166294	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-H+HCOOH"	44.998194
"370179"	497.334401	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+HCOOH-H"	44.998201
"354066"	511.350051	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+Hac-H"	59.013851
"1497428"	285.181951	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Hac-H"	59.013851
"964239"	293.148251	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-H+NaCOOH"	66.980151
"115334"	261.137502	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+2Cl"	69.938804
"555988"	374.221552	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+2Cl"	69.938804
"1025151"	148.053452	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2Cl"	69.938804
"1253845"	305.086985	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Br"	78.918885
"1318484"	307.142972	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Cl+HCOOH"	80.974872
"1328327"	329.124929	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Cl+NaCOOH"	102.956829
"915378"	339.153686	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M-H+CF3COOH"	112.985586
"1295003"	375.130364	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Cl+CF3COOH"	148.962264
"1369148"	191.155424	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H-2H2O"	-35.012676
"1385554"	209.1654	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H-H2O"	-17.0027
"291441"	453.343476	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+H"	1.007276
"687144"	679.511576	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+H"	1.007276
"1364587"	227.175376	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H"	1.007276
"137480"	227.175376	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+2H"	2.014552
"575946"	340.259426	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+2H"	2.014552
"1050211"	114.091326	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2H"	2.014552
"214833"	151.786009333333	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+3H"	3.021828
"655487"	227.175376	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+3H"	3.021828
"1176407"	76.3966426666667	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+3H"	3.021828
"435790"	470.370023	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+NH4"	18.033823
"799341"	696.538123	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+NH4"	18.033823
"1693119"	244.201923	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+NH4"	18.033823
"344680"	235.6886495	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+H+NH4"	19.041099
"737347"	348.7726995	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+H+NH4"	19.041099
"1492648"	122.6045995	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H+NH4"	19.041099
"403038"	475.325418	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+Na"	22.989218
"762939"	701.493518	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+Na"	22.989218
"1612131"	249.157318	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Na"	22.989218
"324354"	238.166347	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+H+Na"	23.996494
"717873"	351.250397	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+H+Na"	23.996494
"1471693"	125.082297	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H+Na"	23.996494
"1063844"	83.7239566666667	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2H+Na"	25.00377
"1268804"	259.201586	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+CH3OH+H"	33.033486
"387380"	491.299358	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+K"	38.963158
"751659"	717.467458	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+K"	38.963158
"1544964"	265.131258	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+K"	38.963158
"306512"	246.153317	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+H+K"	39.970434
"697841"	359.237367	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+H+K"	39.970434
"1447288"	133.069267	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H+K"	39.970434
"238076"	494.370026	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+ACN+H"	42.033826
"1210295"	268.201926	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+ACN+H"	42.033826
"1194906"	134.604601	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+ACN+2H"	43.041102
"189480"	497.30736	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+2Na-H"	44.97116
"631104"	723.47546	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+2Na-H"	44.97116
"1133517"	271.13926	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2Na-H"	44.97116
"175349"	249.157318	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+2Na"	45.978436
"613083"	362.241368	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+2Na"	45.978436
"1115982"	136.073268	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2Na"	45.978436
"1400244"	91.0512706666667	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H+2Na"	46.985712
"1432604"	273.180846	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H+HCOOH"	47.012746
"226677"	254.19034	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+3H2O+2H"	56.04448
"1509998"	287.23289	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+IsoProp+H"	61.06479
"420989"	257.144288	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+Na+K"	61.952376
"779797"	370.228338	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+Na+K"	61.952376
"1673943"	144.060238	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Na+K"	61.952376
"259371"	516.351968	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+ACN+Na"	64.015768
"1239009"	290.183868	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+ACN+Na"	64.015768
"1724248"	290.207393	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+NH4+HCOOH"	64.039293
"1190696"	98.3785846666667	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+3Na"	68.967654
"1660590"	295.162788	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Na+HCOOH"	68.994688
"170370"	529.25524	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+2K-H"	76.91904
"607011"	755.42334	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+2K-H"	76.91904
"1096991"	303.08714	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2K-H"	76.91904
"150529"	265.131258	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"2M+2K"	77.926316
"591183"	378.215308	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"3M+2K"	77.926316
"1080069"	152.047208	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2K"	77.926316
"1109998"	305.101692	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2K+H"	78.933592
"1350634"	305.189307	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+DMSO+H"	79.021207
"1016008"	309.228476	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2ACN+H"	83.060376
"1526599"	310.222108	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+IsoProp+Na+H"	84.054008
"992193"	155.117876	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+2ACN+2H"	84.067652
"1588885"	311.136728	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+K+HCOOH"	84.968628
"1414911"	341.168238	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+H+CF3COOH"	115.000138
"1148480"	175.631151	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+3ACN+2H"	125.094202
"1698762"	358.194785	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+NH4+CF3COOH"	132.026685
"1641705"	363.15018	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+Na+CF3COOH"	136.98208
"1582824"	379.12412	"C04277"	"18-Diazacyclotetradecane-29-dione"	"C12H22N2O2"	"226.1681"	"M+K+CF3COOH"	152.95602
"803347"	221.1012	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M"	0
"983442"	202.08281	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-H2O-H"	-19.01839
"74970"	146.393524	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M-3H"	-3.021828
"516718"	220.093924	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M-3H"	-3.021828
"884676"	72.693124	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-3H"	-3.021828
"10906"	220.093924	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M-2H"	-2.014552
"451560"	330.644524	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M-2H"	-2.014552
"827176"	109.543324	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-2H"	-2.014552
"88262"	441.195124	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M-H"	-1.007276
"526735"	662.296324	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M-H"	-1.007276
"903444"	220.093924	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-H"	-1.007276
"49069"	458.221671	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M-2H+NH4"	16.019271
"491909"	679.322871	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M-2H+NH4"	16.019271
"865578"	237.120471	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-2H+NH4"	16.019271
"36516"	463.177066	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M-2H+Na"	20.974666
"477170"	684.278266	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M-2H+Na"	20.974666
"854972"	242.075866	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-2H+Na"	20.974666
"1627785"	242.075866	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Na-2H"	20.974666
"98850"	238.082263	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M-H+Cl"	33.962126
"539506"	348.632863	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M-H+Cl"	33.962126
"931930"	127.531663	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-H+Cl"	33.962126
"274136"	477.171802	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+Cl"	34.969402
"665099"	698.273002	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+Cl"	34.969402
"1276044"	256.070602	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Cl"	34.969402
"22248"	479.151006	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M-2H+K"	36.948606
"460715"	700.252206	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M-2H+K"	36.948606
"842889"	258.049806	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-2H+K"	36.948606
"1567472"	258.049806	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+K-2H"	36.948606
"950979"	266.099394	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-H+HCOOH"	44.998194
"370289"	487.200601	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+HCOOH-H"	44.998201
"354176"	501.216251	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+Hac-H"	59.013851
"1497538"	280.115051	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Hac-H"	59.013851
"961069"	288.081351	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-H+NaCOOH"	66.980151
"115080"	256.070602	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+2Cl"	69.938804
"552085"	366.621202	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+2Cl"	69.938804
"1023437"	145.520002	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2Cl"	69.938804
"1246300"	300.020085	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Br"	78.918885
"1309841"	302.076072	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Cl+HCOOH"	80.974872
"1328437"	324.058029	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Cl+NaCOOH"	102.956829
"914031"	334.086786	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M-H+CF3COOH"	112.985586
"1291833"	370.063464	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Cl+CF3COOH"	148.962264
"1368166"	186.088524	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H-2H2O"	-35.012676
"1383475"	204.0985	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H-H2O"	-17.0027
"291551"	443.209676	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+H"	1.007276
"687254"	664.310876	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+H"	1.007276
"1360324"	222.108476	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H"	1.007276
"137590"	222.108476	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+2H"	2.014552
"576056"	332.659076	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+2H"	2.014552
"1049228"	111.557876	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2H"	2.014552
"214943"	148.408076	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+3H"	3.021828
"655597"	222.108476	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+3H"	3.021828
"1176881"	74.707676	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+3H"	3.021828
"435900"	460.236223	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+NH4"	18.033823
"799452"	681.337423	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+NH4"	18.033823
"1694324"	239.135023	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+NH4"	18.033823
"343333"	230.6217495	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+H+NH4"	19.041099
"735390"	341.1723495	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+H+NH4"	19.041099
"1491031"	120.0711495	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H+NH4"	19.041099
"404241"	465.191618	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+Na"	22.989218
"763049"	686.292818	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+Na"	22.989218
"1610055"	244.090418	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Na"	22.989218
"323372"	233.099447	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+H+Na"	23.996494
"716890"	343.650047	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+H+Na"	23.996494
"1470710"	122.548847	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H+Na"	23.996494
"1062861"	82.03499	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2H+Na"	25.00377
"1265634"	254.134686	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+CH3OH+H"	33.033486
"387490"	481.165558	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+K"	38.963158
"751769"	702.266758	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+K"	38.963158
"1541794"	260.064358	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+K"	38.963158
"306622"	241.086417	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+H+K"	39.970434
"693577"	351.637017	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+H+K"	39.970434
"1448491"	130.535817	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H+K"	39.970434
"242559"	484.236226	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+ACN+H"	42.033826
"1211013"	263.135026	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+ACN+H"	42.033826
"1194774"	132.071151	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+ACN+2H"	43.041102
"188816"	487.17356	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+2Na-H"	44.97116
"630121"	708.27476	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+2Na-H"	44.97116
"1133260"	266.07236	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2Na-H"	44.97116
"173879"	244.090418	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+2Na"	45.978436
"613926"	354.641018	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+2Na"	45.978436
"1115744"	133.539818	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2Na"	45.978436
"1398769"	89.362304	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H+2Na"	46.985712
"1431496"	268.113946	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H+HCOOH"	47.012746
"222044"	249.12344	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+3H2O+2H"	56.04448
"1510472"	282.16599	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+IsoProp+H"	61.06479
"417819"	252.077388	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+Na+K"	61.952376
"777720"	362.627988	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+Na+K"	61.952376
"1672960"	141.526788	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Na+K"	61.952376
"259481"	506.218168	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+ACN+Na"	64.015768
"1233649"	285.116968	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+ACN+Na"	64.015768
"1721077"	285.140493	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+NH4+HCOOH"	64.039293
"1187526"	96.689618	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+3Na"	68.967654
"1660700"	290.095888	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Na+HCOOH"	68.994688
"170842"	519.12144	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+2K-H"	76.91904
"607121"	740.22264	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+2K-H"	76.91904
"1091998"	298.02024	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2K-H"	76.91904
"152825"	260.064358	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"2M+2K"	77.926316
"591293"	370.614958	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"3M+2K"	77.926316
"1080179"	149.513758	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2K"	77.926316
"1111201"	300.034792	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2K+H"	78.933592
"1350744"	300.122407	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+DMSO+H"	79.021207
"1016118"	304.161576	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2ACN+H"	83.060376
"1527681"	305.155208	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+IsoProp+Na+H"	84.054008
"991210"	152.584426	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+2ACN+2H"	84.067652
"1588995"	306.069828	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+K+HCOOH"	84.968628
"1415507"	336.101338	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+H+CF3COOH"	115.000138
"1147497"	173.097701	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+3ACN+2H"	125.094202
"1698872"	353.127885	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+NH4+CF3COOH"	132.026685
"1641815"	358.08328	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+Na+CF3COOH"	136.98208
"1582934"	374.05722	"C04280"	"1-Guanidino-1-deoxy-scyllo-inositol;Amidino-scyllo-inosamine"	"C7H15N3O5"	"221.1012"	"M+K+CF3COOH"	152.95602
"803457"	129.0426	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M"	0
"986468"	110.02421	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-H2O-H"	-19.01839
"78002"	85.021124	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M-3H"	-3.021828
"517558"	128.035324	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M-3H"	-3.021828
"892441"	42.006924	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-3H"	-3.021828
"12111"	128.035324	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H"	-2.014552
"451670"	192.556624	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H"	-2.014552
"828379"	63.514024	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H"	-2.014552
"90560"	257.077924	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M-H"	-1.007276
"524657"	386.120524	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M-H"	-1.007276
"897357"	128.035324	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-H"	-1.007276
"52460"	274.104471	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H+NH4"	16.019271
"490926"	403.147071	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H+NH4"	16.019271
"868726"	145.061871	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H+NH4"	16.019271
"36626"	279.059866	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H+Na"	20.974666
"478374"	408.102466	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H+Na"	20.974666
"857269"	150.017266	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H+Na"	20.974666
"1625708"	150.017266	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na-2H"	20.974666
"94950"	146.023663	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M-H+Cl"	33.962126
"539616"	210.544963	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M-H+Cl"	33.962126
"933137"	81.502363	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+Cl"	33.962126
"273882"	293.054602	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Cl"	34.969402
"667398"	422.097202	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+Cl"	34.969402
"1280894"	164.012002	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl"	34.969402
"23452"	295.033806	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H+K"	36.948606
"464105"	424.076406	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H+K"	36.948606
"840815"	165.991206	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H+K"	36.948606
"1563207"	165.991206	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+K-2H"	36.948606
"947809"	174.040794	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+HCOOH"	44.998194
"367118"	303.083401	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+HCOOH-H"	44.998201
"352095"	317.099051	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Hac-H"	59.013851
"1499837"	188.056451	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Hac-H"	59.013851
"961179"	196.022751	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+NaCOOH"	66.980151
"115190"	164.012002	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2Cl"	69.938804
"552196"	228.533302	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2Cl"	69.938804
"1024277"	99.490702	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2Cl"	69.938804
"1248596"	207.961485	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Br"	78.918885
"1309951"	210.017472	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl+HCOOH"	80.974872
"1329642"	231.999429	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl+NaCOOH"	102.956829
"916328"	242.028186	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+CF3COOH"	112.985586
"1293036"	278.004864	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl+CF3COOH"	148.962264
"1367500"	94.029924	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H-2H2O"	-35.012676
"1383946"	112.0399	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H-H2O"	-17.0027
"284732"	259.092476	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H"	1.007276
"680803"	388.135076	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H"	1.007276
"1361528"	130.049876	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H"	1.007276
"137700"	130.049876	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2H"	2.014552
"577259"	194.571176	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2H"	2.014552
"1049337"	65.528576	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2H"	2.014552
"213959"	87.035676	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+3H"	3.021828
"655707"	130.049876	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+3H"	3.021828
"1177845"	44.021476	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+3H"	3.021828
"438196"	276.119023	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+NH4"	18.033823
"800536"	405.161623	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+NH4"	18.033823
"1694800"	147.076423	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+NH4"	18.033823
"343931"	138.5631495	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H+NH4"	19.041099
"736714"	203.0844495	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H+NH4"	19.041099
"1488955"	74.0418495	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+NH4"	19.041099
"405445"	281.074418	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Na"	22.989218
"764255"	410.117018	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+Na"	22.989218
"1613448"	152.031818	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na"	22.989218
"323485"	141.040847	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H+Na"	23.996494
"715907"	205.562147	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H+Na"	23.996494
"1469727"	76.519547	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+Na"	23.996494
"1061879"	51.34879	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2H+Na"	25.00377
"1263557"	162.076086	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+CH3OH+H"	33.033486
"389789"	297.048358	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+K"	38.963158
"751878"	426.090958	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+K"	38.963158
"1545184"	168.005758	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+K"	38.963158
"303453"	149.027817	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H+K"	39.970434
"691865"	213.549117	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H+K"	39.970434
"1445678"	84.506517	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+K"	39.970434
"236230"	300.119026	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+ACN+H"	42.033826
"1209981"	171.076426	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+ACN+H"	42.033826
"1194212"	86.041851	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+ACN+2H"	43.041102
"188970"	303.05636	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2Na-H"	44.97116
"628646"	432.09896	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2Na-H"	44.97116
"1132278"	174.01376	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2Na-H"	44.97116
"173422"	152.031818	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2Na"	45.978436
"613671"	216.553118	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2Na"	45.978436
"1115694"	87.510518	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2Na"	45.978436
"1398563"	58.676104	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+2Na"	46.985712
"1430065"	176.055346	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+HCOOH"	47.012746
"221790"	157.06484	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+3H2O+2H"	56.04448
"1509489"	190.10739	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+IsoProp+H"	61.06479
"416834"	160.018788	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Na+K"	61.952376
"778923"	224.540088	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+Na+K"	61.952376
"1671977"	95.497488	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na+K"	61.952376
"260685"	322.100968	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+ACN+Na"	64.015768
"1237768"	193.058368	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+ACN+Na"	64.015768
"1721187"	193.081893	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+NH4+HCOOH"	64.039293
"1186543"	66.003418	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+3Na"	68.967654
"1658621"	198.037288	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na+HCOOH"	68.994688
"169856"	335.00424	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2K-H"	76.91904
"609056"	464.04684	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2K-H"	76.91904
"1095027"	205.96164	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2K-H"	76.91904
"155124"	168.005758	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2K"	77.926316
"593593"	232.527058	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2K"	77.926316
"1080290"	103.484458	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2K"	77.926316
"1112404"	207.976192	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2K+H"	78.933592
"1349521"	208.063807	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+DMSO+H"	79.021207
"1016227"	212.102976	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2ACN+H"	83.060376
"1527792"	213.096608	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+IsoProp+Na+H"	84.054008
"990349"	106.555126	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+2ACN+2H"	84.067652
"1589839"	214.011228	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+K+HCOOH"	84.968628
"1419872"	244.042738	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+CF3COOH"	115.000138
"1150523"	127.068401	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+3ACN+2H"	125.094202
"1700804"	261.069285	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+NH4+CF3COOH"	132.026685
"1641925"	266.02468	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na+CF3COOH"	136.98208
"1583044"	281.99862	"C04281"	"L-1-Pyrroline-3-hydroxy-5-carboxylate;3-Hydroxy-L-1-pyrroline-5-carboxylate;(3R5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	"C5H7NO3"	"129.0426"	"M+K+CF3COOH"	152.95602
"803567"	129.0426	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M"	0
"980381"	110.02421	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-H2O-H"	-19.01839
"77744"	85.021124	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M-3H"	-3.021828
"516938"	128.035324	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M-3H"	-3.021828
"894375"	42.006924	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-3H"	-3.021828
"11126"	128.035324	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H"	-2.014552
"451781"	192.556624	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H"	-2.014552
"829582"	63.514024	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H"	-2.014552
"90670"	257.077924	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M-H"	-1.007276
"524768"	386.120524	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M-H"	-1.007276
"900383"	128.035324	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-H"	-1.007276
"54758"	274.104471	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H+NH4"	16.019271
"492130"	403.147071	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H+NH4"	16.019271
"872117"	145.061871	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H+NH4"	16.019271
"37831"	279.059866	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H+Na"	20.974666
"479579"	408.102466	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H+Na"	20.974666
"848753"	150.017266	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H+Na"	20.974666
"1628007"	150.017266	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na-2H"	20.974666
"96884"	146.023663	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M-H+Cl"	33.962126
"539726"	210.544963	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M-H+Cl"	33.962126
"928503"	81.502363	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+Cl"	33.962126
"270710"	293.054602	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Cl"	34.969402
"663494"	422.097202	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+Cl"	34.969402
"1284284"	164.012002	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl"	34.969402
"18093"	295.033806	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M-2H+K"	36.948606
"462028"	424.076406	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M-2H+K"	36.948606
"837641"	165.991206	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-2H+K"	36.948606
"1563317"	165.991206	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+K-2H"	36.948606
"947919"	174.040794	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+HCOOH"	44.998194
"362853"	303.083401	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+HCOOH-H"	44.998201
"352205"	317.099051	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Hac-H"	59.013851
"1494838"	188.056451	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Hac-H"	59.013851
"960194"	196.022751	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+NaCOOH"	66.980151
"113840"	164.012002	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2Cl"	69.938804
"554860"	228.533302	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2Cl"	69.938804
"1025116"	99.490702	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2Cl"	69.938804
"1248703"	207.961485	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Br"	78.918885
"1305320"	210.017472	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl+HCOOH"	80.974872
"1323184"	231.999429	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl+NaCOOH"	102.956829
"920808"	242.028186	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M-H+CF3COOH"	112.985586
"1295329"	278.004864	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Cl+CF3COOH"	148.962264
"1367067"	94.029924	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H-2H2O"	-35.012676
"1383448"	112.0399	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H-H2O"	-17.0027
"283260"	259.092476	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H"	1.007276
"683099"	388.135076	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H"	1.007276
"1358357"	130.049876	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H"	1.007276
"135622"	130.049876	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2H"	2.014552
"579556"	194.571176	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2H"	2.014552
"1049447"	65.528576	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2H"	2.014552
"214069"	87.035676	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+3H"	3.021828
"654724"	130.049876	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+3H"	3.021828
"1177231"	44.021476	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+3H"	3.021828
"437213"	276.119023	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+NH4"	18.033823
"800038"	405.161623	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+NH4"	18.033823
"1695890"	147.076423	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+NH4"	18.033823
"344162"	138.5631495	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H+NH4"	19.041099
"736945"	203.0844495	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H+NH4"	19.041099
"1490159"	74.0418495	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+NH4"	19.041099
"407992"	281.074418	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Na"	22.989218
"766917"	410.117018	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+Na"	22.989218
"1611372"	152.031818	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na"	22.989218
"323595"	141.040847	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H+Na"	23.996494
"716017"	205.562147	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H+Na"	23.996494
"1469837"	76.519547	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+Na"	23.996494
"1063083"	51.34879	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2H+Na"	25.00377
"1266948"	162.076086	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+CH3OH+H"	33.033486
"388806"	297.048358	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+K"	38.963158
"750895"	426.090958	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+K"	38.963158
"1543107"	168.005758	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+K"	38.963158
"302469"	149.027817	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+H+K"	39.970434
"692338"	213.549117	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+H+K"	39.970434
"1445723"	84.506517	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+K"	39.970434
"236219"	300.119026	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+ACN+H"	42.033826
"1210424"	171.076426	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+ACN+H"	42.033826
"1195119"	86.041851	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+ACN+2H"	43.041102
"191147"	303.05636	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2Na-H"	44.97116
"631799"	432.09896	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2Na-H"	44.97116
"1133239"	174.01376	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2Na-H"	44.97116
"176408"	152.031818	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2Na"	45.978436
"613040"	216.553118	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2Na"	45.978436
"1115629"	87.510518	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2Na"	45.978436
"1399964"	58.676104	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+2Na"	46.985712
"1430624"	176.055346	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+HCOOH"	47.012746
"222629"	157.06484	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+3H2O+2H"	56.04448
"1509720"	190.10739	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+IsoProp+H"	61.06479
"415851"	160.018788	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+Na+K"	61.952376
"779033"	224.540088	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+Na+K"	61.952376
"1675367"	95.497488	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na+K"	61.952376
"259700"	322.100968	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+ACN+Na"	64.015768
"1234597"	193.058368	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+ACN+Na"	64.015768
"1721297"	193.081893	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+NH4+HCOOH"	64.039293
"1189933"	66.003418	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+3Na"	68.967654
"1656544"	198.037288	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na+HCOOH"	68.994688
"167779"	335.00424	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2K-H"	76.91904
"606615"	464.04684	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2K-H"	76.91904
"1090763"	205.96164	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2K-H"	76.91904
"150858"	168.005758	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"2M+2K"	77.926316
"594063"	232.527058	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"3M+2K"	77.926316
"1078212"	103.484458	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2K"	77.926316
"1108139"	207.976192	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2K+H"	78.933592
"1344524"	208.063807	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+DMSO+H"	79.021207
"1010869"	212.102976	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2ACN+H"	83.060376
"1530088"	213.096608	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+IsoProp+Na+H"	84.054008
"1002002"	106.555126	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+2ACN+2H"	84.067652
"1596505"	214.011228	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+K+HCOOH"	84.968628
"1422163"	244.042738	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+H+CF3COOH"	115.000138
"1153549"	127.068401	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+3ACN+2H"	125.094202
"1699821"	261.069285	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+NH4+CF3COOH"	132.026685
"1642035"	266.02468	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+Na+CF3COOH"	136.98208
"1583154"	281.99862	"C04282"	"1-Pyrroline-4-hydroxy-2-carboxylate"	"C5H7NO3"	"129.0426"	"M+K+CF3COOH"	152.95602
"803678"	259.1572	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M"	0
"989655"	240.13881	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-H2O-H"	-19.01839
"75302"	171.764190666667	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M-3H"	-3.021828
"514862"	258.149924	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M-3H"	-3.021828
"894121"	85.3784573333333	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-3H"	-3.021828
"12332"	258.149924	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M-2H"	-2.014552
"451890"	387.728524	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M-2H"	-2.014552
"831522"	128.571324	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-2H"	-2.014552
"84226"	517.307124	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M-H"	-1.007276
"521597"	776.464324	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M-H"	-1.007276
"907051"	258.149924	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-H"	-1.007276
"54865"	534.333671	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M-2H+NH4"	16.019271
"492239"	793.490871	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M-2H+NH4"	16.019271
"876235"	275.176471	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-2H+NH4"	16.019271
"42314"	539.289066	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M-2H+Na"	20.974666
"484061"	798.446266	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M-2H+Na"	20.974666
"855303"	280.131866	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-2H+Na"	20.974666
"1619373"	280.131866	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+Na-2H"	20.974666
"99184"	276.138263	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M-H+Cl"	33.962126
"538015"	405.716863	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M-H+Cl"	33.962126
"934449"	146.559663	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-H+Cl"	33.962126
"271184"	553.283802	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M+Cl"	34.969402
"670897"	812.441002	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M+Cl"	34.969402
"1280018"	294.126602	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+Cl"	34.969402
"30841"	555.263006	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M-2H+K"	36.948606
"465419"	814.420206	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M-2H+K"	36.948606
"836658"	296.105806	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-2H+K"	36.948606
"1560145"	296.105806	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+K-2H"	36.948606
"950217"	304.155394	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-H+HCOOH"	44.998194
"369528"	563.312601	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M+HCOOH-H"	44.998201
"348306"	577.328251	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M+Hac-H"	59.013851
"1501150"	318.171051	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+Hac-H"	59.013851
"962131"	326.137351	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-H+NaCOOH"	66.980151
"113225"	294.126602	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"2M+2Cl"	69.938804
"552781"	423.705202	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"3M+2Cl"	69.938804
"1025227"	164.548002	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+2Cl"	69.938804
"1251001"	338.076085	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+Br"	78.918885
"1316733"	340.132072	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+Cl+HCOOH"	80.974872
"1326576"	362.114029	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M+Cl+NaCOOH"	102.956829
"923108"	372.142786	"C04284"	"2-Heptyl-4-hydroxyquinoline-N-oxide;HQNO"	"C16H21NO2"	"259.1572"	"M-H+CF3COOH"	112.985586
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"1052469"	168.938926	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"M+2H"	2.014552
"218917"	224.916142666667	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"2M+3H"	3.021828
"659445"	336.870576	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"3M+3H"	3.021828
"1176350"	112.961709333333	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"M+3H"	3.021828
"439383"	689.760423	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"2M+NH4"	18.033823
"801270"	1025.623723	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"3M+NH4"	18.033823
"1696546"	353.897123	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"M+NH4"	18.033823
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"763494"	1030.579118	"C04285"	"35-Dibromo-4-hydroxyphenylpyruvate"	"C9H6Br2O4"	"335.8633"	"3M+Na"	22.989218
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"49619"	556.044071	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M-2H+NH4"	16.019271
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"1695968"	288.046223	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+NH4"	18.033823
"345347"	279.5329495	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+H+NH4"	19.041099
"737036"	414.5391495	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+H+NH4"	19.041099
"1489762"	144.5267495	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+H+NH4"	19.041099
"405525"	563.014018	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+Na"	22.989218
"762511"	833.026418	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+Na"	22.989218
"1613890"	293.001618	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+Na"	22.989218
"326114"	282.010647	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+H+Na"	23.996494
"715255"	417.016847	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+H+Na"	23.996494
"1472356"	147.004447	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+H+Na"	23.996494
"1067426"	98.3387233333333	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2H+Na"	25.00377
"1269103"	303.045886	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+CH3OH+H"	33.033486
"391690"	578.987958	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+K"	38.963158
"751227"	849.000358	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+K"	38.963158
"1546719"	308.975558	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+K"	38.963158
"309361"	289.997617	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+H+K"	39.970434
"702875"	425.003817	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+H+K"	39.970434
"1451229"	154.991417	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+H+K"	39.970434
"242016"	582.058626	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+ACN+H"	42.033826
"1212539"	312.046226	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+ACN+H"	42.033826
"1194474"	156.526751	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+ACN+2H"	43.041102
"192571"	584.99596	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+2Na-H"	44.97116
"629212"	855.00836	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+2Na-H"	44.97116
"1134543"	314.98356	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2Na-H"	44.97116
"176739"	293.001618	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+2Na"	45.978436
"615572"	428.007818	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+2Na"	45.978436
"1117619"	157.995418	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2Na"	45.978436
"1399930"	105.666037333333	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+H+2Na"	46.985712
"1431437"	317.025146	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+H+HCOOH"	47.012746
"222958"	298.03464	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+3H2O+2H"	56.04448
"1513216"	331.07719	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+IsoProp+H"	61.06479
"411809"	300.988588	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+Na+K"	61.952376
"770492"	435.994788	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+Na+K"	61.952376
"1670230"	165.982388	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+Na+K"	61.952376
"262219"	604.040568	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+ACN+Na"	64.015768
"1233833"	334.028168	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+ACN+Na"	64.015768
"1721626"	334.051693	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+NH4+HCOOH"	64.039293
"1189168"	112.993351333333	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+3Na"	68.967654
"1660153"	339.007088	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+Na+HCOOH"	68.994688
"169208"	616.94384	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+2K-H"	76.91904
"607310"	886.95624	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+2K-H"	76.91904
"1092184"	346.93144	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2K-H"	76.91904
"144626"	308.975558	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"2M+2K"	77.926316
"588561"	443.981758	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"3M+2K"	77.926316
"1073073"	173.969358	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2K"	77.926316
"1104096"	348.945992	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2K+H"	78.933592
"1342669"	349.033607	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+DMSO+H"	79.021207
"1010105"	353.072776	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2ACN+H"	83.060376
"1526164"	354.066408	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+IsoProp+Na+H"	84.054008
"991639"	177.040026	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+2ACN+2H"	84.067652
"1590273"	354.981028	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+K+HCOOH"	84.968628
"1415934"	385.012538	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+H+CF3COOH"	115.000138
"1151694"	197.553301	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+3ACN+2H"	125.094202
"1704527"	402.039085	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+NH4+CF3COOH"	132.026685
"1639085"	406.99448	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+Na+CF3COOH"	136.98208
"1586765"	422.96842	"C04286"	"35-Dinitro-4-hydroxyphenylpyruvate"	"C9H6N2O8"	"270.0124"	"M+K+CF3COOH"	152.95602
"804008"	160.0372	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M"	0
"988480"	141.01881	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-H2O-H"	-19.01839
"73444"	105.684190666667	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M-3H"	-3.021828
"513002"	159.029924	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M-3H"	-3.021828
"888615"	52.3384573333333	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-3H"	-3.021828
"6097"	159.029924	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M-2H"	-2.014552
"450031"	239.048524	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M-2H"	-2.014552
"821642"	79.011324	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-2H"	-2.014552
"83455"	319.067124	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M-H"	-1.007276
"529578"	479.104324	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M-H"	-1.007276
"905195"	159.029924	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-H"	-1.007276
"50457"	336.093671	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M-2H+NH4"	16.019271
"493662"	496.130871	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M-2H+NH4"	16.019271
"869277"	176.056471	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-2H+NH4"	16.019271
"31709"	341.049066	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M-2H+Na"	20.974666
"475644"	501.086266	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M-2H+Na"	20.974666
"848746"	181.011866	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-2H+Na"	20.974666
"1619336"	181.011866	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Na-2H"	20.974666
"99514"	177.018263	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M-H+Cl"	33.962126
"536888"	257.036863	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M-H+Cl"	33.962126
"933686"	96.999663	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-H+Cl"	33.962126
"277711"	355.043802	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+Cl"	34.969402
"661384"	515.081002	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+Cl"	34.969402
"1278162"	195.006602	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Cl"	34.969402
"18533"	357.023006	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M-2H+K"	36.948606
"467936"	517.060206	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M-2H+K"	36.948606
"840269"	196.985806	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-2H+K"	36.948606
"1560477"	196.985806	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+K-2H"	36.948606
"946173"	205.035394	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-H+HCOOH"	44.998194
"370949"	365.072601	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+HCOOH-H"	44.998201
"346809"	379.088251	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+Hac-H"	59.013851
"1493335"	219.051051	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Hac-H"	59.013851
"963553"	227.017351	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-H+NaCOOH"	66.980151
"110878"	195.006602	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+2Cl"	69.938804
"552379"	275.025202	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+2Cl"	69.938804
"1023729"	114.988002	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2Cl"	69.938804
"1243676"	238.956085	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Br"	78.918885
"1312688"	241.012072	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Cl+HCOOH"	80.974872
"1325812"	262.994029	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Cl+NaCOOH"	102.956829
"925261"	273.022786	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M-H+CF3COOH"	112.985586
"1292855"	308.999464	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Cl+CF3COOH"	148.962264
"1369922"	125.024524	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H-2H2O"	-35.012676
"1384869"	143.0345	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H-H2O"	-17.0027
"283946"	321.081676	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+H"	1.007276
"687914"	481.118876	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+H"	1.007276
"1362076"	161.044476	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H"	1.007276
"141045"	161.044476	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+2H"	2.014552
"579997"	241.063076	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+2H"	2.014552
"1049891"	81.025876	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2H"	2.014552
"218885"	107.698742666667	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+3H"	3.021828
"656259"	161.044476	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+3H"	3.021828
"1175475"	54.3530093333333	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+3H"	3.021828
"438386"	338.108223	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+NH4"	18.033823
"796466"	498.145423	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+NH4"	18.033823
"1695713"	178.071023	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+NH4"	18.033823
"345621"	169.5577495	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+H+NH4"	19.041099
"736415"	249.5763495	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+H+NH4"	19.041099
"1491329"	89.5391495	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H+NH4"	19.041099
"402719"	343.063618	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+Na"	22.989218
"762620"	503.100818	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+Na"	22.989218
"1608533"	183.026418	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Na"	22.989218
"321850"	172.035447	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+H+Na"	23.996494
"712085"	252.054047	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+H+Na"	23.996494
"1470279"	92.016847	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H+Na"	23.996494
"1066441"	61.6803233333333	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2H+Na"	25.00377
"1264109"	193.070686	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+CH3OH+H"	33.033486
"388152"	359.037558	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+K"	38.963158
"749149"	519.074758	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+K"	38.963158
"1546829"	199.000358	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+K"	38.963158
"306191"	180.022417	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+H+K"	39.970434
"700798"	260.041017	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+H+K"	39.970434
"1448059"	100.003817	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H+K"	39.970434
"241031"	362.108226	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+ACN+H"	42.033826
"1211677"	202.071026	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+ACN+H"	42.033826
"1196165"	101.539151	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+ACN+2H"	43.041102
"189765"	365.04556	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+2Na-H"	44.97116
"629687"	525.08276	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+2Na-H"	44.97116
"1136110"	205.00836	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2Na-H"	44.97116
"174296"	183.026418	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+2Na"	45.978436
"615681"	263.045018	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+2Na"	45.978436
"1116028"	103.007818	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2Na"	45.978436
"1399797"	69.0076373333333	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H+2Na"	46.985712
"1431182"	207.049946	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H+HCOOH"	47.012746
"221245"	188.05944	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+3H2O+2H"	56.04448
"1512233"	221.10199	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+IsoProp+H"	61.06479
"413011"	191.013388	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+Na+K"	61.952376
"771090"	271.031988	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+Na+K"	61.952376
"1671433"	110.994788	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Na+K"	61.952376
"262329"	384.090168	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+ACN+Na"	64.015768
"1233943"	224.052968	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+ACN+Na"	64.015768
"1721736"	224.076493	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+NH4+HCOOH"	64.039293
"1184904"	76.3349513333333	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+3Na"	68.967654
"1660263"	229.031888	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Na+HCOOH"	68.994688
"167130"	396.99344	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+2K-H"	76.91904
"609241"	557.03064	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+2K-H"	76.91904
"1093386"	236.95624	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2K-H"	76.91904
"144736"	199.000358	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"2M+2K"	77.926316
"588671"	279.018958	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"3M+2K"	77.926316
"1074276"	118.981758	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2K"	77.926316
"1105298"	238.970792	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2K+H"	78.933592
"1341684"	239.058407	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+DMSO+H"	79.021207
"1011308"	243.097576	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2ACN+H"	83.060376
"1525302"	244.091208	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+IsoProp+Na+H"	84.054008
"991507"	122.052426	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+2ACN+2H"	84.067652
"1587951"	245.005828	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+K+HCOOH"	84.968628
"1414219"	275.037338	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+H+CF3COOH"	115.000138
"1151804"	142.565701	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+3ACN+2H"	125.094202
"1704637"	292.063885	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+NH4+CF3COOH"	132.026685
"1639195"	297.01928	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+Na+CF3COOH"	136.98208
"1586875"	312.99322	"C04287"	"3D-354-Trihydroxycyclohexane-12-dione;D-23-Diketo-4-deoxy-epi-inositol;(3R4S5R)-345-Trihydroxy-12-cyclohexanedione;354-Trihydroxycyclohexa-12-dione"	"C6H8O5"	"160.0372"	"M+K+CF3COOH"	152.95602
"804118"	272.1525	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M"	0
"985310"	253.13411	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H2O-H"	-19.01839
"71367"	180.427724	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-3H"	-3.021828
"513112"	271.145224	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-3H"	-3.021828
"888725"	89.710224	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-3H"	-3.021828
"6207"	271.145224	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H"	-2.014552
"446861"	407.221474	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H"	-2.014552
"820295"	135.068974	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H"	-2.014552
"82472"	543.297724	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-H"	-1.007276
"527502"	815.450224	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-H"	-1.007276
"907127"	271.145224	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H"	-1.007276
"50932"	560.324271	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+NH4"	16.019271
"495959"	832.476771	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+NH4"	16.019271
"867200"	288.171771	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+NH4"	16.019271
"32182"	565.279666	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+Na"	20.974666
"474660"	837.432166	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+Na"	20.974666
"849096"	293.127166	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+Na"	20.974666
"1618921"	293.127166	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na-2H"	20.974666
"94596"	289.133563	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-H+Cl"	33.962126
"534720"	425.209813	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-H+Cl"	33.962126
"927355"	153.057313	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+Cl"	33.962126
"277821"	579.274402	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Cl"	34.969402
"660762"	851.426902	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+Cl"	34.969402
"1276085"	307.121902	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl"	34.969402
"18643"	581.253606	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+K"	36.948606
"466589"	853.406106	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+K"	36.948606
"837099"	309.101106	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+K"	36.948606
"1560587"	309.101106	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K-2H"	36.948606
"945190"	317.150694	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+HCOOH"	44.998194
"365592"	589.303201	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+HCOOH-H"	44.998201
"347644"	603.318851	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Hac-H"	59.013851
"1493203"	331.166351	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Hac-H"	59.013851
"963663"	339.132651	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+NaCOOH"	66.980151
"110008"	307.121902	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Cl"	69.938804
"551030"	443.198152	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Cl"	69.938804
"1022016"	171.045652	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2Cl"	69.938804
"1243420"	351.071385	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Br"	78.918885
"1309518"	353.127372	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+HCOOH"	80.974872
"1325922"	375.109329	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+NaCOOH"	102.956829
"924641"	385.138086	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+CF3COOH"	112.985586
"1292601"	421.114764	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+CF3COOH"	148.962264
"1368939"	237.139824	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H-2H2O"	-35.012676
"1384979"	255.1498	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H-H2O"	-17.0027
"282959"	545.312276	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H"	1.007276
"689118"	817.464776	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H"	1.007276
"1362186"	273.159776	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H"	1.007276
"141375"	273.159776	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2H"	2.014552
"580961"	409.236026	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2H"	2.014552
"1050363"	137.083526	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2H"	2.014552
"214620"	182.442276	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+3H"	3.021828
"656369"	273.159776	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+3H"	3.021828
"1177289"	91.724776	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+3H"	3.021828
"437766"	562.338823	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+NH4"	18.033823
"794387"	834.491323	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+NH4"	18.033823
"1695093"	290.186323	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4"	18.033823
"342280"	281.6730495	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+NH4"	19.041099
"735794"	417.7492995	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+NH4"	19.041099
"1488523"	145.5967995	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+NH4"	19.041099
"397361"	567.294218	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Na"	22.989218
"761635"	839.446718	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+Na"	22.989218
"1606455"	295.141718	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na"	22.989218
"318680"	284.150747	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+Na"	23.996494
"712195"	420.226997	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+Na"	23.996494
"1470389"	148.074497	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+Na"	23.996494
"1066551"	99.05209	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2H+Na"	25.00377
"1264219"	305.185986	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+CH3OH+H"	33.033486
"388262"	583.268158	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+K"	38.963158
"745978"	855.420658	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+K"	38.963158
"1544749"	311.115658	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K"	38.963158
"304111"	292.137717	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+K"	39.970434
"695440"	428.213967	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+K"	39.970434
"1453634"	156.061467	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+K"	39.970434
"238225"	586.338826	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+ACN+H"	42.033826
"1210118"	314.186326	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+H"	42.033826
"1195424"	157.596801	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+2H"	43.041102
"188619"	589.27616	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Na-H"	44.97116
"628784"	861.42866	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Na-H"	44.97116
"1132211"	317.12366	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2Na-H"	44.97116
"173142"	295.141718	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Na"	45.978436
"613227"	431.217968	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Na"	45.978436
"1115695"	159.065468	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2Na"	45.978436
"1398684"	106.379404	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+2Na"	46.985712
"1430102"	319.165246	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+HCOOH"	47.012746
"220625"	300.17474	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+3H2O+2H"	56.04448
"1511245"	333.21729	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+IsoProp+H"	61.06479
"413121"	303.128688	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Na+K"	61.952376
"770024"	439.204938	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+Na+K"	61.952376
"1671543"	167.052438	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+K"	61.952376
"261345"	608.320768	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+ACN+Na"	64.015768
"1234053"	336.168268	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+Na"	64.015768
"1721846"	336.191793	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4+HCOOH"	64.039293
"1181733"	113.706718	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+3Na"	68.967654
"1653812"	341.147188	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+HCOOH"	68.994688
"166145"	621.22404	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2K-H"	76.91904
"602423"	893.37654	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2K-H"	76.91904
"1093496"	349.07154	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2K-H"	76.91904
"142293"	311.115658	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2K"	77.926316
"588781"	447.191908	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2K"	77.926316
"1069645"	175.039408	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2K"	77.926316
"1104315"	351.086092	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2K+H"	78.933592
"1339608"	351.173707	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+DMSO+H"	79.021207
"1010325"	355.212876	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2ACN+H"	83.060376
"1525412"	356.206508	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+IsoProp+Na+H"	84.054008
"991129"	178.110076	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2ACN+2H"	84.067652
"1587245"	357.121128	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K+HCOOH"	84.968628
"1414694"	387.152638	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+CF3COOH"	115.000138
"1151914"	198.623351	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+3ACN+2H"	125.094202
"1704747"	404.179185	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4+CF3COOH"	132.026685
"1639305"	409.13458	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+CF3COOH"	136.98208
"1586985"	425.10852	"C04290"	"4-(3-Methylbut-2-enyl)-L-tryptophan;4-Dimethylallyl-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K+CF3COOH"	152.95602
"805685"	241.1215	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M"	0
"985420"	222.10311	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-H2O-H"	-19.01839
"71477"	159.740390666667	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M-3H"	-3.021828
"513222"	240.114224	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M-3H"	-3.021828
"888835"	79.3665573333333	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-3H"	-3.021828
"8504"	240.114224	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M-2H"	-2.014552
"448067"	360.674974	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M-2H"	-2.014552
"824778"	119.553474	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-2H"	-2.014552
"82582"	481.235724	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M-H"	-1.007276
"527611"	722.357224	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M-H"	-1.007276
"905415"	240.114224	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-H"	-1.007276
"54322"	498.262271	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M-2H+NH4"	16.019271
"494977"	739.383771	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M-2H+NH4"	16.019271
"868403"	257.140771	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-2H+NH4"	16.019271
"33022"	503.217666	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M-2H+Na"	20.974666
"472948"	744.339166	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M-2H+Na"	20.974666
"848962"	262.096166	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-2H+Na"	20.974666
"1622837"	262.096166	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Na-2H"	20.974666
"94610"	258.102563	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M-H+Cl"	33.962126
"535644"	378.663313	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M-H+Cl"	33.962126
"931715"	137.541813	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-H+Cl"	33.962126
"275744"	517.212402	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+Cl"	34.969402
"661235"	758.333902	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+Cl"	34.969402
"1276923"	276.090902	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Cl"	34.969402
"18749"	519.191606	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M-2H+K"	36.948606
"457584"	760.313106	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M-2H+K"	36.948606
"834046"	278.070106	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-2H+K"	36.948606
"1557417"	278.070106	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+K-2H"	36.948606
"944202"	286.119694	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-H+HCOOH"	44.998194
"362540"	527.241201	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+HCOOH-H"	44.998201
"347027"	541.256851	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+Hac-H"	59.013851
"1492822"	300.135351	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Hac-H"	59.013851
"962677"	308.101651	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-H+NaCOOH"	66.980151
"114136"	276.090902	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+2Cl"	69.938804
"551137"	396.651652	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+2Cl"	69.938804
"1021595"	155.530152	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2Cl"	69.938804
"1242798"	320.040385	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Br"	78.918885
"1306712"	322.096372	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Cl+HCOOH"	80.974872
"1326032"	344.078329	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Cl+NaCOOH"	102.956829
"915999"	354.107086	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M-H+CF3COOH"	112.985586
"1290526"	390.083764	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Cl+CF3COOH"	148.962264
"1369286"	206.108824	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H-2H2O"	-35.012676
"1383990"	224.1188	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H-H2O"	-17.0027
"283555"	483.250276	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+H"	1.007276
"679387"	724.371776	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+H"	1.007276
"1359016"	242.128776	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H"	1.007276
"139926"	242.128776	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+2H"	2.014552
"580707"	362.689526	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+2H"	2.014552
"1050107"	121.568026	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2H"	2.014552
"213637"	161.754942666667	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+3H"	3.021828
"657572"	242.128776	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+3H"	3.021828
"1177643"	81.3811093333333	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+3H"	3.021828
"433501"	500.276823	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+NH4"	18.033823
"793404"	741.398323	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+NH4"	18.033823
"1695810"	259.155323	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+NH4"	18.033823
"345062"	250.6420495	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+H+NH4"	19.041099
"735903"	371.2027995	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+H+NH4"	19.041099
"1489723"	130.0812995	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H+NH4"	19.041099
"402938"	505.232218	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+Na"	22.989218
"761744"	746.353718	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+Na"	22.989218
"1607657"	264.110718	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Na"	22.989218
"318790"	253.119747	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+H+Na"	23.996494
"712305"	373.680497	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+H+Na"	23.996494
"1470499"	132.558997	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H+Na"	23.996494
"1064838"	88.7084233333333	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2H+Na"	25.00377
"1261048"	274.154986	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+CH3OH+H"	33.033486
"383998"	521.206158	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+K"	38.963158
"740254"	762.327658	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+K"	38.963158
"1545953"	280.084658	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+K"	38.963158
"302035"	261.106717	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+H+K"	39.970434
"695549"	381.667467	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+H+K"	39.970434
"1451557"	140.545967	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H+K"	39.970434
"236386"	524.276826	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+ACN+H"	42.033826
"1210312"	283.155326	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+ACN+H"	42.033826
"1194764"	142.081301	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+ACN+2H"	43.041102
"189121"	527.21416	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+2Na-H"	44.97116
"630021"	768.33566	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+2Na-H"	44.97116
"1131944"	286.09266	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2Na-H"	44.97116
"173776"	264.110718	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+2Na"	45.978436
"613259"	384.671468	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+2Na"	45.978436
"1115917"	143.549968	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2Na"	45.978436
"1398870"	96.0357373333333	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H+2Na"	46.985712
"1430132"	288.134246	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H+HCOOH"	47.012746
"220483"	269.14374	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+3H2O+2H"	56.04448
"1513541"	302.18629	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+IsoProp+H"	61.06479
"415417"	272.097688	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+Na+K"	61.952376
"772038"	392.658438	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+Na+K"	61.952376
"1668372"	151.536938	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Na+K"	61.952376
"257082"	546.258768	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+ACN+Na"	64.015768
"1227964"	305.137268	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+ACN+Na"	64.015768
"1715029"	305.160793	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+NH4+HCOOH"	64.039293
"1180381"	103.363051333333	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+3Na"	68.967654
"1651368"	310.116188	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Na+HCOOH"	68.994688
"158229"	559.16204	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+2K-H"	76.91904
"602533"	800.28354	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+2K-H"	76.91904
"1087410"	318.04054	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2K-H"	76.91904
"142278"	280.084658	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"2M+2K"	77.926316
"586705"	400.645408	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"3M+2K"	77.926316
"1069145"	159.523908	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2K"	77.926316
"1101386"	320.055092	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2K+H"	78.933592
"1337530"	320.142707	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+DMSO+H"	79.021207
"1006911"	324.181876	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2ACN+H"	83.060376
"1524669"	325.175508	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+IsoProp+Na+H"	84.054008
"990381"	162.594576	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+2ACN+2H"	84.067652
"1587071"	326.090128	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+K+HCOOH"	84.968628
"1414479"	356.121638	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+H+CF3COOH"	115.000138
"1152024"	183.107851	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+3ACN+2H"	125.094202
"1704857"	373.148185	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+NH4+CF3COOH"	132.026685
"1636135"	378.10358	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+Na+CF3COOH"	136.98208
"1583815"	394.07752	"C04291"	"4-(Dimethylamino)phenylazoxybenzene"	"C14H15N3O"	"241.1215"	"M+K+CF3COOH"	152.95602
"805432"	300.0634	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M"	0
"984435"	281.04501	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"67212"	199.034990666667	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"512241"	299.056124	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"891135"	99.0138573333333	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"11896"	299.056124	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"445993"	449.087824	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"824888"	149.024424	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"88165"	599.119524	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"529913"	899.182924	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"900057"	299.056124	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"57714"	616.146071	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"496179"	916.209471	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"876167"	316.082671	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"42977"	621.101466	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"472932"	921.164866	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"849402"	321.038066	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1619665"	321.038066	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"94849"	317.044463	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"537213"	467.076163	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"930000"	167.012763	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"269649"	635.096202	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"661101"	935.159602	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1275211"	335.032802	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"18860"	637.075406	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"458054"	937.138806	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"834039"	337.012006	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1560807"	337.012006	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"947597"	345.061594	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"362163"	645.125001	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"346525"	659.140651	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1493411"	359.077251	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"959255"	367.043551	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"111689"	335.032802	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"551981"	485.064502	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1021990"	185.001102	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1242547"	378.982285	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1315208"	381.038272	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1331612"	403.020229	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"921576"	413.048986	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1301566"	449.025664	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1370978"	265.050724	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1387383"	283.0607	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"285980"	601.134076	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"678400"	901.197476	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1352687"	301.070676	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"138580"	301.070676	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"577046"	451.102376	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1049853"	151.038976	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"215571"	201.049542666667	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"656227"	301.070676	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1177268"	101.028409333333	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"437258"	618.160623	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"795701"	918.224023	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1695314"	318.097223	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"343230"	309.5839495	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"735649"	459.6156495	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1492020"	159.5522495	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"396487"	623.116018	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"767324"	923.179418	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1608862"	323.052618	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"318900"	312.061647	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"715695"	462.093347	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1467326"	162.029947	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1060574"	108.355723333333	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1266626"	333.096886	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"389576"	639.089958	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"746199"	939.153358	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1546063"	339.026558	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"304332"	320.048617	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"694566"	470.080317	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1447292"	170.016917	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"237716"	642.160626	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1210539"	342.097226	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1194789"	171.552251	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"189482"	645.09796	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"628674"	945.16136	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1131820"	345.03456	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"173524"	323.052618	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"613097"	473.084318	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1117205"	173.020918	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1399390"	115.683037333333	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1430533"	347.076146	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"220354"	328.08564	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1510732"	361.12819	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"410055"	331.039588	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"772510"	481.071288	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1670668"	181.007888	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"253903"	664.142568	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1232084"	364.079168	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1719878"	364.102693	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1181220"	123.010351333333	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1654033"	369.058088	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"164174"	677.04584	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"601182"	977.10924	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1086422"	376.98244	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"143604"	339.026558	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"583164"	489.058258	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1069742"	188.994858	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1105628"	378.996992	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1337760"	379.084607	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1016009"	383.123776	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1526601"	384.117408	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"992930"	192.065526	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1588886"	385.032028	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1414545"	415.063538	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1147513"	212.578801	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1699499"	432.090085	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1636245"	437.04548	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1583925"	453.01942	"C04293"	"Chrysoeriol;574-Trihydroxy-3-methoxyflavone;3-O-Methylluteolin"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"804449"	143.0405	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M"	0
"984545"	124.02211	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-H2O-H"	-19.01839
"67322"	94.3530573333333	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M-3H"	-3.021828
"512351"	142.033224	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M-3H"	-3.021828
"891245"	46.6728906666667	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-3H"	-3.021828
"14561"	142.033224	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M-2H"	-2.014552
"445009"	213.553474	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M-2H"	-2.014552
"821717"	70.512974	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-2H"	-2.014552
"89366"	285.073724	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M-H"	-1.007276
"527836"	428.114224	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M-H"	-1.007276
"899074"	142.033224	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-H"	-1.007276
"54545"	302.100271	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M-2H+NH4"	16.019271
"498476"	445.140771	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M-2H+NH4"	16.019271
"876278"	159.059771	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-2H+NH4"	16.019271
"38714"	307.055666	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M-2H+Na"	20.974666
"472554"	450.096166	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M-2H+Na"	20.974666
"850604"	164.015166	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-2H+Na"	20.974666
"1620626"	164.015166	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Na-2H"	20.974666
"95934"	160.021563	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M-H+Cl"	33.962126
"537323"	231.541813	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M-H+Cl"	33.962126
"929380"	88.501313	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-H+Cl"	33.962126
"270124"	321.050402	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+Cl"	34.969402
"662182"	464.090902	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+Cl"	34.969402
"1275321"	178.009902	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Cl"	34.969402
"18970"	323.029606	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M-2H+K"	36.948606
"458164"	466.070106	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M-2H+K"	36.948606
"834149"	179.989106	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-2H+K"	36.948606
"1560917"	179.989106	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+K-2H"	36.948606
"946613"	188.038694	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-H+HCOOH"	44.998194
"361908"	331.079201	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+HCOOH-H"	44.998201
"345867"	345.094851	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+Hac-H"	59.013851
"1493073"	202.054351	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Hac-H"	59.013851
"959119"	210.020651	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-H+NaCOOH"	66.980151
"110368"	178.009902	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+2Cl"	69.938804
"550052"	249.530152	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+2Cl"	69.938804
"1021523"	106.489652	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2Cl"	69.938804
"1241790"	221.959385	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Br"	78.918885
"1307663"	224.015372	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Cl+HCOOH"	80.974872
"1331722"	245.997329	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Cl+NaCOOH"	102.956829
"921686"	256.026086	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M-H+CF3COOH"	112.985586
"1297301"	292.002764	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Cl+CF3COOH"	148.962264
"1370362"	108.027824	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H-2H2O"	-35.012676
"1388587"	126.0378	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H-H2O"	-17.0027
"286090"	287.088276	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+H"	1.007276
"679603"	430.128776	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+H"	1.007276
"1357049"	144.047776	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H"	1.007276
"140146"	144.047776	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+2H"	2.014552
"574969"	215.568026	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+2H"	2.014552
"1051059"	72.527526	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2H"	2.014552
"214949"	96.3676093333333	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+3H"	3.021828
"657793"	144.047776	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+3H"	3.021828
"1176646"	48.6874426666667	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+3H"	3.021828
"436273"	304.114823	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+NH4"	18.033823
"793624"	447.155323	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+NH4"	18.033823
"1691777"	161.074323	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+NH4"	18.033823
"341515"	152.5610495	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+H+NH4"	19.041099
"735029"	224.0812995	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+H+NH4"	19.041099
"1492131"	81.0407995	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H+NH4"	19.041099
"397690"	309.070218	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+Na"	22.989218
"767068"	452.110718	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+Na"	22.989218
"1608971"	166.029718	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Na"	22.989218
"321194"	155.038747	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+H+Na"	23.996494
"713618"	226.558997	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+H+Na"	23.996494
"1467436"	83.518497	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H+Na"	23.996494
"1062870"	56.0147566666667	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2H+Na"	25.00377
"1266736"	176.073986	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+CH3OH+H"	33.033486
"387498"	325.044158	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+K"	38.963158
"747402"	468.084658	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+K"	38.963158
"1543987"	182.003658	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+K"	38.963158
"304442"	163.025717	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+H+K"	39.970434
"694676"	234.545967	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+H+K"	39.970434
"1446430"	91.505467	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H+K"	39.970434
"237826"	328.114826	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+ACN+H"	42.033826
"1210169"	185.074326	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+ACN+H"	42.033826
"1194899"	93.040801	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+ACN+2H"	43.041102
"189470"	331.05216	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+2Na-H"	44.97116
"629024"	474.09266	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+2Na-H"	44.97116
"1132416"	188.01166	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2Na-H"	44.97116
"173099"	166.029718	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+2Na"	45.978436
"612922"	237.549968	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+2Na"	45.978436
"1115677"	94.509468	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2Na"	45.978436
"1398688"	63.3420706666667	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H+2Na"	46.985712
"1429920"	190.053246	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H+HCOOH"	47.012746
"220043"	171.06274	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+3H2O+2H"	56.04448
"1510112"	204.10529	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+IsoProp+H"	61.06479
"409798"	174.016688	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+Na+K"	61.952376
"770796"	245.536938	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+Na+K"	61.952376
"1667127"	102.496438	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Na+K"	61.952376
"252556"	350.096768	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+ACN+Na"	64.015768
"1228912"	207.056268	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+ACN+Na"	64.015768
"1716705"	207.079793	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+NH4+HCOOH"	64.039293
"1179994"	70.6693846666667	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+3Na"	68.967654
"1654507"	212.035188	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Na+HCOOH"	68.994688
"161731"	363.00004	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+2K-H"	76.91904
"600197"	506.04054	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+2K-H"	76.91904
"1086896"	219.95954	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2K-H"	76.91904
"143347"	182.003658	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"2M+2K"	77.926316
"582787"	253.523908	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"3M+2K"	77.926316
"1070824"	110.483408	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2K"	77.926316
"1104645"	221.974092	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2K+H"	78.933592
"1337383"	222.061707	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+DMSO+H"	79.021207
"1016119"	226.100876	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2ACN+H"	83.060376
"1525132"	227.094508	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+IsoProp+Na+H"	84.054008
"990850"	113.554076	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+2ACN+2H"	84.067652
"1587537"	228.009128	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+K+HCOOH"	84.968628
"1414778"	258.040638	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+H+CF3COOH"	115.000138
"1148229"	134.067351	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+3ACN+2H"	125.094202
"1698149"	275.067185	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+NH4+CF3COOH"	132.026685
"1634285"	280.02258	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+Na+CF3COOH"	136.98208
"1584035"	295.99652	"C04294"	"5-(2-Hydroxyethyl)-4-methylthiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole;4-Methyl-5-(2-hydroxyethyl)-thiazole"	"C6H9NOS"	"143.0405"	"M+K+CF3COOH"	152.95602
"815739"	290.2246	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M"	0
"987935"	271.20621	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"70712"	192.475790666667	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"515742"	289.217324	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"894275"	95.7342573333333	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"13579"	289.217324	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"447307"	434.329624	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"825108"	144.105024	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"88383"	579.441924	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"523571"	869.666524	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"898094"	289.217324	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"50281"	596.468471	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"489840"	886.693071	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"873108"	306.243871	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"38824"	601.423866	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"473643"	891.648466	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"851078"	311.199266	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1618557"	311.199266	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"96413"	307.205663	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"537433"	452.317963	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"929490"	162.093363	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"268047"	615.418602	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"662657"	905.643202	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1276525"	325.194002	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"19081"	617.397806	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"459005"	907.622406	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"834623"	327.173206	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1561027"	327.173206	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"947817"	335.222794	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"362384"	625.447401	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"345781"	639.463051	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1493307"	349.238451	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"958825"	357.204751	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"110072"	325.194002	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"549957"	470.306302	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1023184"	180.081702	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1241347"	369.143485	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1307773"	371.199472	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1329645"	393.181429	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"918516"	403.210186	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1296318"	439.186864	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1371200"	255.211924	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1387603"	273.2219	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"284010"	581.456476	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"679713"	871.681076	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1359346"	291.231876	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"138432"	291.231876	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"573984"	436.344176	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1043875"	146.119576	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"216882"	194.490342666667	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"656808"	291.231876	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1177118"	97.7488093333333	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"434923"	598.483023	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"792639"	888.707623	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1688971"	308.258423	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"338344"	299.7451495	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"731859"	444.8574495	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1490782"	154.6328495	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"398893"	603.438418	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"762073"	893.663018	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1606893"	313.213818	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"320211"	302.222847	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"711538"	447.335147	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1466452"	157.110547	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1060792"	105.076123333333	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1267939"	323.258086	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"386515"	619.412358	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"747512"	909.636958	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1543367"	329.187758	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"305645"	310.209817	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"698066"	455.322117	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1452980"	165.097517	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"236843"	622.483026	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1212468"	332.258426	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1195257"	166.632851	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"189221"	625.42036	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"628855"	915.64496	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1132406"	335.19576	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"174968"	313.213818	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"613099"	458.326118	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1116821"	168.101518	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1399371"	112.403437333333	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1430514"	337.237346	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"220414"	318.24684	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1510950"	351.28939	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"409787"	321.200788	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"771271"	466.313088	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1667967"	176.088488	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"253394"	644.464968	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1228658"	354.240368	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1716451"	354.263893	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1179983"	119.730751333333	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1654617"	359.219288	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"162207"	657.36824	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"598485"	947.59284	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1086280"	367.14364	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"141756"	329.187758	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"584115"	474.300058	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1069841"	184.075458	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1101474"	369.158192	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1337859"	369.245807	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1006632"	373.284976	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1528889"	374.278608	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"990104"	187.146126	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1587043"	375.193228	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1414527"	405.224738	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1150167"	207.659401	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1697895"	422.251285	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1636829"	427.20668	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1584145"	443.18062	"C04295"	"Androstenediol;Androst-5-ene-3beta17beta-diol;3beta17beta-Dihydroxyandrost-5-ene;3beta17beta-Dihydroxy-5-androstene"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"807949"	531.0655	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M"	0
"984765"	512.04711	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-H2O-H"	-19.01839
"69729"	353.036390666667	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M-3H"	-3.021828
"512572"	530.058224	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M-3H"	-3.021828
"894507"	176.014557333333	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-3H"	-3.021828
"14174"	530.058224	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M-2H"	-2.014552
"449606"	795.590974	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M-2H"	-2.014552
"829597"	264.525474	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-2H"	-2.014552
"88496"	1061.123724	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M-H"	-1.007276
"522587"	1592.189224	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M-H"	-1.007276
"898930"	530.058224	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-H"	-1.007276
"51120"	1078.150271	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M-2H+NH4"	16.019271
"489586"	1609.215771	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M-2H+NH4"	16.019271
"870303"	547.084771	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-2H+NH4"	16.019271
"40026"	1083.105666	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M-2H+Na"	20.974666
"474849"	1614.171166	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M-2H+Na"	20.974666
"850825"	552.040166	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-2H+Na"	20.974666
"1618942"	552.040166	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Na-2H"	20.974666
"96523"	548.046563	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M-H+Cl"	33.962126
"538274"	813.579313	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M-H+Cl"	33.962126
"927900"	282.513813	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-H+Cl"	33.962126
"268885"	1097.100402	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+Cl"	34.969402
"661067"	1628.165902	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+Cl"	34.969402
"1274081"	566.034902	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Cl"	34.969402
"17003"	1099.079606	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M-2H+K"	36.948606
"457294"	1630.145106	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M-2H+K"	36.948606
"833758"	568.014106	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-2H+K"	36.948606
"1561137"	568.014106	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+K-2H"	36.948606
"944647"	576.063694	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-H+HCOOH"	44.998194
"362494"	1107.129201	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+HCOOH-H"	44.998201
"346248"	1121.144851	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+Hac-H"	59.013851
"1493018"	590.079351	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Hac-H"	59.013851
"958557"	598.045651	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-H+NaCOOH"	66.980151
"110266"	566.034902	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+2Cl"	69.938804
"550189"	831.567652	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+2Cl"	69.938804
"1025849"	300.502152	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2Cl"	69.938804
"1242261"	609.984385	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Br"	78.918885
"1306790"	612.040372	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Cl+HCOOH"	80.974872
"1329755"	634.022329	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Cl+NaCOOH"	102.956829
"918626"	644.051086	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M-H+CF3COOH"	112.985586
"1296428"	680.027764	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Cl+CF3COOH"	148.962264
"1372407"	496.052824	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H-2H2O"	-35.012676
"1385529"	514.0628	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H-H2O"	-17.0027
"282900"	1063.138276	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+H"	1.007276
"678730"	1594.203776	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+H"	1.007276
"1359456"	532.072776	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H"	1.007276
"138906"	532.072776	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+2H"	2.014552
"576281"	797.605526	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+2H"	2.014552
"1041799"	266.540026	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2H"	2.014552
"215167"	355.050942666667	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+3H"	3.021828
"655821"	532.072776	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+3H"	3.021828
"1171758"	178.029109333333	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+3H"	3.021828
"433940"	1080.164823	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+NH4"	18.033823
"797121"	1611.230323	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+NH4"	18.033823
"1689081"	549.099323	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+NH4"	18.033823
"336267"	540.5860495	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+H+NH4"	19.041099
"726500"	806.1187995	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+H+NH4"	19.041099
"1485788"	275.0532995	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H+NH4"	19.041099
"395721"	1085.120218	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+Na"	22.989218
"764368"	1616.185718	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+Na"	22.989218
"1610282"	554.054718	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Na"	22.989218
"320321"	543.063747	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+H+Na"	23.996494
"709461"	808.596497	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+H+Na"	23.996494
"1466562"	277.530997	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H+Na"	23.996494
"1059810"	185.356423333333	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2H+Na"	25.00377
"1264769"	564.098986	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+CH3OH+H"	33.033486
"386625"	1101.094158	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+K"	38.963158
"744342"	1632.159658	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+K"	38.963158
"1545300"	570.028658	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+K"	38.963158
"300653"	551.050717	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+H+K"	39.970434
"694896"	816.583467	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+H+K"	39.970434
"1456370"	285.517967	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H+K"	39.970434
"236953"	1104.164826	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+ACN+H"	42.033826
"1213671"	573.099326	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+ACN+H"	42.033826
"1195003"	287.053301	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+ACN+2H"	43.041102
"190059"	1107.10216	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+2Na-H"	44.97116
"630714"	1638.16766	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+2Na-H"	44.97116
"1134219"	576.03666	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2Na-H"	44.97116
"176416"	554.054718	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+2Na"	45.978436
"614637"	819.587468	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+2Na"	45.978436
"1117293"	288.521968	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2Na"	45.978436
"1399481"	192.683737333333	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H+2Na"	46.985712
"1430422"	578.078246	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H+HCOOH"	47.012746
"220102"	559.08774	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+3H2O+2H"	56.04448
"1508556"	592.13029	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+IsoProp+H"	61.06479
"408958"	562.041688	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+Na+K"	61.952376
"770032"	827.574438	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+Na+K"	61.952376
"1666978"	296.508938	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Na+K"	61.952376
"252526"	1126.146768	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+ACN+Na"	64.015768
"1226938"	595.081268	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+ACN+Na"	64.015768
"1713401"	595.104793	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+NH4+HCOOH"	64.039293
"1179364"	200.011051333333	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+3Na"	68.967654
"1652903"	600.060188	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Na+HCOOH"	68.994688
"160129"	1139.05004	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+2K-H"	76.91904
"597170"	1670.11554	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+2K-H"	76.91904
"1085770"	607.98454	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2K-H"	76.91904
"142103"	570.028658	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"2M+2K"	77.926316
"581702"	835.561408	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"3M+2K"	77.926316
"1068897"	304.495908	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2K"	77.926316
"1100854"	609.999092	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2K+H"	78.933592
"1338332"	610.086707	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+DMSO+H"	79.021207
"1005848"	614.125876	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2ACN+H"	83.060376
"1524496"	615.119508	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+IsoProp+Na+H"	84.054008
"990216"	307.566576	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+2ACN+2H"	84.067652
"1587017"	616.034128	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+K+HCOOH"	84.968628
"1414434"	646.065638	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+H+CF3COOH"	115.000138
"1147479"	328.079851	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+3ACN+2H"	125.094202
"1702017"	663.092185	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+NH4+CF3COOH"	132.026685
"1636575"	668.04758	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+Na+CF3COOH"	136.98208
"1574414"	684.02152	"C04297"	"CDP-4-dehydro-36-dideoxy-D-glucose;CDP-36-dideoxy-D-erythro-hexos-4-ulose;CDP-4-dehydro-36-dideoxy-alpha-D-glucose"	"C15H23N3O14P2"	"531.0655"	"M+K+CF3COOH"	152.95602
"814621"	242.0192	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M"	0
"988156"	223.00081	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-H2O-H"	-19.01839
"77981"	160.338857333333	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M-3H"	-3.021828
"518149"	241.011924	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M-3H"	-3.021828
"890483"	79.6657906666667	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-3H"	-3.021828
"7966"	241.011924	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M-2H"	-2.014552
"452995"	362.021524	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M-2H"	-2.014552
"827518"	120.002324	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-2H"	-2.014552
"89699"	483.031124	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M-H"	-1.007276
"522334"	725.050324	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M-H"	-1.007276
"905967"	241.011924	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-H"	-1.007276
"53783"	500.057671	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M-2H+NH4"	16.019271
"496623"	742.076871	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M-2H+NH4"	16.019271
"876611"	258.038471	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-2H+NH4"	16.019271
"42324"	505.013066	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M-2H+Na"	20.974666
"482977"	747.032266	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M-2H+Na"	20.974666
"862847"	262.993866	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-2H+Na"	20.974666
"1627032"	262.993866	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Na-2H"	20.974666
"106844"	259.000263	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M-H+Cl"	33.962126
"541664"	380.009863	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M-H+Cl"	33.962126
"929351"	137.990663	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-H+Cl"	33.962126
"271553"	519.007802	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+Cl"	34.969402
"663248"	761.027002	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+Cl"	34.969402
"1276745"	276.988602	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Cl"	34.969402
"18208"	520.987006	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M-2H+K"	36.948606
"458862"	763.006206	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M-2H+K"	36.948606
"837758"	278.967806	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-2H+K"	36.948606
"1561246"	278.967806	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+K-2H"	36.948606
"948036"	287.017394	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-H+HCOOH"	44.998194
"365157"	529.036601	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+HCOOH-H"	44.998201
"347946"	543.052251	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+Hac-H"	59.013851
"1493491"	301.033051	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Hac-H"	59.013851
"959455"	308.999351	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-H+NaCOOH"	66.980151
"110673"	276.988602	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+2Cl"	69.938804
"550598"	397.998202	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+2Cl"	69.938804
"1022068"	155.979002	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2Cl"	69.938804
"1243355"	320.938085	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Br"	78.918885
"1313462"	322.994072	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Cl+HCOOH"	80.974872
"1320384"	344.976029	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Cl+NaCOOH"	102.956829
"915456"	355.004786	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M-H+CF3COOH"	112.985586
"1300915"	390.981464	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Cl+CF3COOH"	148.962264
"1370328"	207.006524	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H-2H2O"	-35.012676
"1384545"	225.0165	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H-H2O"	-17.0027
"283501"	485.045676	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+H"	1.007276
"679937"	727.064876	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+H"	1.007276
"1359564"	243.026476	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H"	1.007276
"135736"	243.026476	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+2H"	2.014552
"576391"	364.036076	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+2H"	2.014552
"1043730"	122.016876	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2H"	2.014552
"211998"	162.353409333333	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+3H"	3.021828
"652652"	243.026476	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+3H"	3.021828
"1177337"	81.6803426666667	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+3H"	3.021828
"431134"	502.072223	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+NH4"	18.033823
"793952"	744.091423	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+NH4"	18.033823
"1689192"	260.053023	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+NH4"	18.033823
"336377"	251.5397495	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+H+NH4"	19.041099
"728067"	372.5493495	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+H+NH4"	19.041099
"1486993"	130.5301495	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H+NH4"	19.041099
"401301"	507.027618	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+Na"	22.989218
"760107"	749.046818	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+Na"	22.989218
"1609299"	265.008418	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Na"	22.989218
"321524"	254.017447	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+H+Na"	23.996494
"717227"	375.027047	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+H+Na"	23.996494
"1472870"	133.007847	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H+Na"	23.996494
"1061014"	89.0076566666667	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2H+Na"	25.00377
"1263787"	275.052686	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+CH3OH+H"	33.033486
"382362"	523.001558	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+K"	38.963158
"742264"	765.020758	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+K"	38.963158
"1541030"	280.982358	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+K"	38.963158
"302586"	262.004417	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+H+K"	39.970434
"693547"	383.014017	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+H+K"	39.970434
"1449920"	140.994817	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H+K"	39.970434
"236009"	526.072226	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+ACN+H"	42.033826
"1212325"	284.053026	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+ACN+H"	42.033826
"1195112"	142.530151	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+ACN+2H"	43.041102
"188873"	529.00956	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+2Na-H"	44.97116
"629607"	771.02876	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+2Na-H"	44.97116
"1131647"	286.99036	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2Na-H"	44.97116
"174216"	265.008418	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+2Na"	45.978436
"613656"	386.018018	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+2Na"	45.978436
"1115816"	143.998818	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2Na"	45.978436
"1399096"	96.3349706666667	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H+2Na"	46.985712
"1430035"	289.031946	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H+HCOOH"	47.012746
"220425"	270.04144	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+3H2O+2H"	56.04448
"1508517"	303.08399	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+IsoProp+H"	61.06479
"408912"	272.995388	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+Na+K"	61.952376
"770879"	394.004988	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+Na+K"	61.952376
"1666366"	151.985788	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Na+K"	61.952376
"252156"	548.054168	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+ACN+Na"	64.015768
"1227417"	306.034968	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+ACN+Na"	64.015768
"1714483"	306.058493	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+NH4+HCOOH"	64.039293
"1182390"	103.662284666667	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+3Na"	68.967654
"1653741"	311.013888	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Na+HCOOH"	68.994688
"158782"	560.95744	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+2K-H"	76.91904
"597368"	802.97664	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+2K-H"	76.91904
"1084213"	318.93824	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2K-H"	76.91904
"142018"	280.982358	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"2M+2K"	77.926316
"582390"	401.991958	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"3M+2K"	77.926316
"1069088"	159.972758	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2K"	77.926316
"1100516"	320.952792	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2K+H"	78.933592
"1337713"	321.040407	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+DMSO+H"	79.021207
"1006729"	325.079576	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2ACN+H"	83.060376
"1524176"	326.073208	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+IsoProp+Na+H"	84.054008
"990080"	163.043426	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+2ACN+2H"	84.067652
"1587216"	326.987828	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+K+HCOOH"	84.968628
"1414266"	357.019338	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+H+CF3COOH"	115.000138
"1148196"	183.556701	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+3ACN+2H"	125.094202
"1702127"	374.045885	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+NH4+CF3COOH"	132.026685
"1635589"	379.00128	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+Na+CF3COOH"	136.98208
"1574524"	394.97522	"C04299"	"D-myo-Inositol 12-cyclic phosphate;1D-myo-Inositol 12-cyclic phosphate"	"C6H11O8P"	"242.0192"	"M+K+CF3COOH"	152.95602
"808173"	448.2097	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M"	0
"984986"	429.19131	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-H2O-H"	-19.01839
"75418"	297.799190666667	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M-3H"	-3.021828
"514979"	447.202424	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M-3H"	-3.021828
"886220"	148.395957333333	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-3H"	-3.021828
"8077"	447.202424	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M-2H"	-2.014552
"444356"	671.307274	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M-2H"	-2.014552
"827630"	223.097574	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-2H"	-2.014552
"86528"	895.412124	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M-H"	-1.007276
"530461"	1343.621824	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M-H"	-1.007276
"907170"	447.202424	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-H"	-1.007276
"56078"	912.438671	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M-2H+NH4"	16.019271
"497826"	1360.648371	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M-2H+NH4"	16.019271
"874533"	464.228971	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-2H+NH4"	16.019271
"46446"	917.394066	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M-2H+Na"	20.974666
"486855"	1365.603766	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M-2H+Na"	20.974666
"859799"	469.184366	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-2H+Na"	20.974666
"1622771"	469.184366	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Na-2H"	20.974666
"100395"	465.190763	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M-H+Cl"	33.962126
"537038"	689.295613	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M-H+Cl"	33.962126
"928367"	241.085913	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-H+Cl"	33.962126
"272032"	931.388802	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+Cl"	34.969402
"663358"	1379.598502	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+Cl"	34.969402
"1279045"	483.179102	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Cl"	34.969402
"19415"	933.368006	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M-2H+K"	36.948606
"461162"	1381.577706	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M-2H+K"	36.948606
"836776"	485.158306	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-2H+K"	36.948606
"1558076"	485.158306	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+K-2H"	36.948606
"945958"	493.207894	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-H+HCOOH"	44.998194
"361508"	941.417601	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+HCOOH-H"	44.998201
"345989"	955.433251	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+Hac-H"	59.013851
"1493597"	507.223551	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Hac-H"	59.013851
"958716"	515.189851	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-H+NaCOOH"	66.980151
"110416"	483.179102	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+2Cl"	69.938804
"551804"	707.283952	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+2Cl"	69.938804
"1021567"	259.074252	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2Cl"	69.938804
"1254405"	527.128585	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Br"	78.918885
"1315760"	529.184572	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Cl+HCOOH"	80.974872
"1332163"	551.166529	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Cl+NaCOOH"	102.956829
"918847"	561.195286	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M-H+CF3COOH"	112.985586
"1299930"	597.171964	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Cl+CF3COOH"	148.962264
"1372625"	413.197024	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H-2H2O"	-35.012676
"1382798"	431.207	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H-H2O"	-17.0027
"283974"	897.426676	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+H"	1.007276
"676767"	1345.636376	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+H"	1.007276
"1357490"	449.216976	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H"	1.007276
"139127"	449.216976	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+2H"	2.014552
"572126"	673.321826	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+2H"	2.014552
"1047487"	225.112126	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2H"	2.014552
"212108"	299.813742666667	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+3H"	3.021828
"656041"	449.216976	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+3H"	3.021828
"1178259"	150.410509333333	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+3H"	3.021828
"432337"	914.453223	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+NH4"	18.033823
"795155"	1362.662923	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+NH4"	18.033823
"1689303"	466.243523	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+NH4"	18.033823
"335026"	457.7302495	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+H+NH4"	19.041099
"731094"	681.8350995	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+H+NH4"	19.041099
"1483823"	233.6253995	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H+NH4"	19.041099
"403596"	919.408618	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+Na"	22.989218
"759124"	1367.618318	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+Na"	22.989218
"1611596"	471.198918	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Na"	22.989218
"320540"	460.207947	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+H+Na"	23.996494
"711869"	684.312797	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+H+Na"	23.996494
"1471158"	236.103097	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H+Na"	23.996494
"1062219"	157.737823333333	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2H+Na"	25.00377
"1260617"	481.243186	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+CH3OH+H"	33.033486
"385753"	935.382558	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+K"	38.963158
"739456"	1383.592258	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+K"	38.963158
"1544427"	487.172858	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+K"	38.963158
"300502"	468.194917	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+H+K"	39.970434
"698396"	692.299767	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+H+K"	39.970434
"1447478"	244.090067	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H+K"	39.970434
"238632"	938.453226	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+ACN+H"	42.033826
"1211707"	490.243526	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+ACN+H"	42.033826
"1196317"	245.625401	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+ACN+2H"	43.041102
"189065"	941.39056	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+2Na-H"	44.97116
"629476"	1389.60026	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+2Na-H"	44.97116
"1131884"	493.18086	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2Na-H"	44.97116
"176272"	471.198918	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+2Na"	45.978436
"615467"	695.303768	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+2Na"	45.978436
"1117146"	247.094068	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2Na"	45.978436
"1399211"	165.065137333333	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H+2Na"	46.985712
"1430600"	495.222446	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H+HCOOH"	47.012746
"220537"	476.23194	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+3H2O+2H"	56.04448
"1509944"	509.27449	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+IsoProp+H"	61.06479
"408972"	479.185888	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+Na+K"	61.952376
"770622"	703.290738	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+Na+K"	61.952376
"1665897"	255.081038	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Na+K"	61.952376
"252264"	960.435168	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+ACN+Na"	64.015768
"1227162"	512.225468	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+ACN+Na"	64.015768
"1717145"	512.248993	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+NH4+HCOOH"	64.039293
"1185783"	172.392451333333	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+3Na"	68.967654
"1652393"	517.204388	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Na+HCOOH"	68.994688
"164726"	973.33844	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+2K-H"	76.91904
"597226"	1421.54814	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+2K-H"	76.91904
"1086610"	525.12874	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2K-H"	76.91904
"141716"	487.172858	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"2M+2K"	77.926316
"582731"	711.277708	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"3M+2K"	77.926316
"1069078"	263.068008	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2K"	77.926316
"1100463"	527.143292	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2K+H"	78.933592
"1335708"	527.230907	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+DMSO+H"	79.021207
"1005698"	531.270076	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2ACN+H"	83.060376
"1524310"	532.263708	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+IsoProp+Na+H"	84.054008
"990015"	266.138676	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+2ACN+2H"	84.067652
"1587159"	533.178328	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+K+HCOOH"	84.968628
"1414281"	563.209838	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+H+CF3COOH"	115.000138
"1151590"	286.651951	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+3ACN+2H"	125.094202
"1701141"	580.236385	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+NH4+CF3COOH"	132.026685
"1635336"	585.19178	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+Na+CF3COOH"	136.98208
"1574636"	601.16572	"C04300"	"Estradiol-17alpha 3-D-glucuronoside"	"C24H32O8"	"448.2097"	"M+K+CF3COOH"	152.95602
"805000"	231.1471	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M"	0
"978535"	212.12871	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-H2O-H"	-19.01839
"74431"	153.090790666667	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M-3H"	-3.021828
"510715"	230.139824	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M-3H"	-3.021828
"891796"	76.0417573333333	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-3H"	-3.021828
"10373"	230.139824	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M-2H"	-2.014552
"444466"	345.713374	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M-2H"	-2.014552
"828832"	114.566274	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-2H"	-2.014552
"91009"	461.286924	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M-H"	-1.007276
"532394"	692.434024	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M-H"	-1.007276
"909832"	230.139824	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-H"	-1.007276
"58374"	478.313471	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M-2H+NH4"	16.019271
"500122"	709.460571	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M-2H+NH4"	16.019271
"876829"	247.166371	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-2H+NH4"	16.019271
"45583"	483.268866	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M-2H+Na"	20.974666
"485991"	714.415966	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M-2H+Na"	20.974666
"862826"	252.121766	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-2H+Na"	20.974666
"1627258"	252.121766	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Na-2H"	20.974666
"100506"	248.128163	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M-H+Cl"	33.962126
"540066"	363.701713	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M-H+Cl"	33.962126
"931396"	132.554613	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-H+Cl"	33.962126
"275423"	497.263602	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+Cl"	34.969402
"664561"	728.410702	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+Cl"	34.969402
"1283528"	266.116502	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Cl"	34.969402
"21711"	499.242806	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M-2H+K"	36.948606
"460176"	730.389906	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M-2H+K"	36.948606
"835425"	268.095706	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-2H+K"	36.948606
"1560372"	268.095706	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+K-2H"	36.948606
"948255"	276.145294	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-H+HCOOH"	44.998194
"365378"	507.292401	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+HCOOH-H"	44.998201
"346418"	521.308051	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+Hac-H"	59.013851
"1493707"	290.160951	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Hac-H"	59.013851
"959191"	298.127251	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-H+NaCOOH"	66.980151
"111380"	266.116502	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+2Cl"	69.938804
"551063"	381.690052	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+2Cl"	69.938804
"1021561"	150.542952	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2Cl"	69.938804
"1254515"	310.065985	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Br"	78.918885
"1316963"	312.121972	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Cl+HCOOH"	80.974872
"1333366"	334.103929	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Cl+NaCOOH"	102.956829
"915677"	344.132686	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M-H+CF3COOH"	112.985586
"1300040"	380.109364	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Cl+CF3COOH"	148.962264
"1372735"	196.134424	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H-2H2O"	-35.012676
"1385857"	214.1444	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H-H2O"	-17.0027
"288826"	463.301476	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+H"	1.007276
"682344"	694.448576	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+H"	1.007276
"1357600"	232.154376	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H"	1.007276
"139968"	232.154376	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+2H"	2.014552
"578797"	347.727926	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+2H"	2.014552
"1047597"	116.580826	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2H"	2.014552
"215498"	155.105342666667	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+3H"	3.021828
"655424"	232.154376	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+3H"	3.021828
"1177564"	78.0563093333333	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+3H"	3.021828
"437917"	480.328023	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+NH4"	18.033823
"799883"	711.475123	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+NH4"	18.033823
"1692694"	249.180923	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+NH4"	18.033823
"340967"	240.6676495	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+H+NH4"	19.041099
"729016"	356.2411995	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+H+NH4"	19.041099
"1486119"	125.0940995	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H+NH4"	19.041099
"403706"	485.283418	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+Na"	22.989218
"765794"	716.430518	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+Na"	22.989218
"1611705"	254.136318	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Na"	22.989218
"323932"	243.145347	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+H+Na"	23.996494
"714167"	358.718897	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+H+Na"	23.996494
"1475276"	127.571797	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H+Na"	23.996494
"1063419"	85.3836233333333	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2H+Na"	25.00377
"1262915"	264.180586	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+CH3OH+H"	33.033486
"385863"	501.257358	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+K"	38.963158
"745765"	732.404458	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+K"	38.963158
"1544537"	270.110258	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+K"	38.963158
"306084"	251.132317	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+H+K"	39.970434
"693769"	366.705867	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+H+K"	39.970434
"1446248"	135.558767	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H+K"	39.970434
"238013"	504.328026	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+ACN+H"	42.033826
"1214735"	273.180926	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+ACN+H"	42.033826
"1195941"	137.094101	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+ACN+2H"	43.041102
"189660"	507.26536	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+2Na-H"	44.97116
"629341"	738.41246	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+2Na-H"	44.97116
"1131995"	276.11826	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2Na-H"	44.97116
"174557"	254.136318	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+2Na"	45.978436
"614361"	369.709868	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+2Na"	45.978436
"1117743"	138.562768	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2Na"	45.978436
"1400417"	92.7109373333333	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H+2Na"	46.985712
"1430387"	278.159846	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H+HCOOH"	47.012746
"220527"	259.16934	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+3H2O+2H"	56.04448
"1509566"	292.21189	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+IsoProp+H"	61.06479
"409243"	262.123288	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+Na+K"	61.952376
"770727"	377.696838	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+Na+K"	61.952376
"1665843"	146.549738	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Na+K"	61.952376
"252493"	526.309968	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+ACN+Na"	64.015768
"1226908"	295.162868	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+ACN+Na"	64.015768
"1714337"	295.186393	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+NH4+HCOOH"	64.039293
"1181516"	100.038251333333	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+3Na"	68.967654
"1650146"	300.141788	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Na+HCOOH"	68.994688
"165564"	539.21324	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+2K-H"	76.91904
"597298"	770.36034	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+2K-H"	76.91904
"1086721"	308.06614	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2K-H"	76.91904
"142683"	270.110258	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"2M+2K"	77.926316
"583085"	385.683808	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"3M+2K"	77.926316
"1070892"	154.536708	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2K"	77.926316
"1100450"	310.080692	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2K+H"	78.933592
"1335818"	310.168307	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+DMSO+H"	79.021207
"1006336"	314.207476	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2ACN+H"	83.060376
"1524825"	315.201108	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+IsoProp+Na+H"	84.054008
"990300"	157.607376	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+2ACN+2H"	84.067652
"1587352"	316.115728	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+K+HCOOH"	84.968628
"1414355"	346.147238	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+H+CF3COOH"	115.000138
"1147322"	178.120651	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+3ACN+2H"	125.094202
"1701251"	363.173785	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+NH4+CF3COOH"	132.026685
"1636175"	368.12918	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+Na+CF3COOH"	136.98208
"1574746"	384.10312	"C04301"	"N(alpha)-t-Butoxycarbonyl-L-leucine"	"C11H21NO4"	"231.1471"	"M+K+CF3COOH"	152.95602
"805110"	349.0563	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M"	0
"978645"	330.03791	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-H2O-H"	-19.01839
"73448"	231.696924	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M-3H"	-3.021828
"514105"	348.049024	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M-3H"	-3.021828
"890814"	115.344824	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-3H"	-3.021828
"10483"	348.049024	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M-2H"	-2.014552
"445669"	522.577174	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M-2H"	-2.014552
"825659"	173.520874	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-2H"	-2.014552
"86746"	697.105324	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M-H"	-1.007276
"529588"	1046.161624	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M-H"	-1.007276
"905203"	348.049024	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-H"	-1.007276
"51924"	714.131871	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M-2H+NH4"	16.019271
"489298"	1063.188171	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M-2H+NH4"	16.019271
"873661"	365.075571	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-2H+NH4"	16.019271
"43747"	719.087266	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M-2H+Na"	20.974666
"486508"	1068.143566	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M-2H+Na"	20.974666
"853456"	370.030966	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-2H+Na"	20.974666
"1627368"	370.030966	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Na-2H"	20.974666
"100616"	366.037363	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M-H+Cl"	33.962126
"539083"	540.565513	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M-H+Cl"	33.962126
"931506"	191.509213	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-H+Cl"	33.962126
"277719"	733.082002	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+Cl"	34.969402
"664671"	1082.138302	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+Cl"	34.969402
"1284731"	384.025702	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Cl"	34.969402
"22914"	735.061206	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M-2H+K"	36.948606
"460286"	1084.117506	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M-2H+K"	36.948606
"836264"	386.004906	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-2H+K"	36.948606
"1561575"	386.004906	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+K-2H"	36.948606
"948365"	394.054494	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-H+HCOOH"	44.998194
"365488"	743.110801	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+HCOOH-H"	44.998201
"350464"	757.126451	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+Hac-H"	59.013851
"1492975"	408.070151	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Hac-H"	59.013851
"960639"	416.036451	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-H+NaCOOH"	66.980151
"112463"	384.025702	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+2Cl"	69.938804
"554211"	558.553852	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+2Cl"	69.938804
"1022159"	209.497552	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2Cl"	69.938804
"1253532"	427.975185	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Br"	78.918885
"1317073"	430.031172	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Cl+HCOOH"	80.974872
"1326915"	452.013129	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Cl+NaCOOH"	102.956829
"915787"	462.041886	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M-H+CF3COOH"	112.985586
"1293590"	498.018564	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Cl+CF3COOH"	148.962264
"1368470"	314.043624	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H-2H2O"	-35.012676
"1382926"	332.0536	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H-H2O"	-17.0027
"284195"	699.119876	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+H"	1.007276
"684639"	1048.176176	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+H"	1.007276
"1357710"	350.063576	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H"	1.007276
"133879"	350.063576	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+2H"	2.014552
"575627"	524.591726	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+2H"	2.014552
"1044427"	175.535426	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2H"	2.014552
"215608"	233.711476	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+3H"	3.021828
"654075"	350.063576	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+3H"	3.021828
"1178032"	117.359376	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+3H"	3.021828
"435473"	716.146423	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+NH4"	18.033823
"800480"	1065.202723	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+NH4"	18.033823
"1689524"	367.090123	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+NH4"	18.033823
"337797"	358.5768495	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+H+NH4"	19.041099
"729127"	533.1049995	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+H+NH4"	19.041099
"1486229"	184.0486995	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H+NH4"	19.041099
"404910"	721.101818	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+Na"	22.989218
"762624"	1070.158118	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+Na"	22.989218
"1614002"	372.045518	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Na"	22.989218
"324042"	361.054547	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+H+Na"	23.996494
"708808"	535.582697	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+H+Na"	23.996494
"1470283"	186.526397	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H+Na"	23.996494
"1062436"	124.68669	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2H+Na"	25.00377
"1265210"	382.089786	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+CH3OH+H"	33.033486
"385970"	737.075758	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+K"	38.963158
"741865"	1086.132058	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+K"	38.963158
"1543918"	388.019458	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+K"	38.963158
"301455"	369.041517	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+H+K"	39.970434
"692297"	543.569667	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+H+K"	39.970434
"1446605"	194.513367	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H+K"	39.970434
"236662"	740.146426	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+ACN+H"	42.033826
"1213386"	391.090126	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+ACN+H"	42.033826
"1195442"	196.048701	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+ACN+2H"	43.041102
"189285"	743.08376	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+2Na-H"	44.97116
"630061"	1092.14006	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+2Na-H"	44.97116
"1132958"	394.02746	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2Na-H"	44.97116
"176857"	372.045518	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+2Na"	45.978436
"615687"	546.573668	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+2Na"	45.978436
"1117854"	197.517368	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2Na"	45.978436
"1401257"	132.014004	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H+2Na"	46.985712
"1431311"	396.069046	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H+HCOOH"	47.012746
"221004"	377.07854	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+3H2O+2H"	56.04448
"1509677"	410.12109	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+IsoProp+H"	61.06479
"408775"	380.032488	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+Na+K"	61.952376
"770352"	554.560638	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+Na+K"	61.952376
"1666318"	205.504338	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Na+K"	61.952376
"251501"	762.128368	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+ACN+Na"	64.015768
"1226408"	413.072068	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+ACN+Na"	64.015768
"1715175"	413.095593	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+NH4+HCOOH"	64.039293
"1179917"	139.341318	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+3Na"	68.967654
"1651149"	418.050988	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Na+HCOOH"	68.994688
"162757"	775.03164	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+2K-H"	76.91904
"597814"	1124.08794	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+2K-H"	76.91904
"1085856"	425.97534	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2K-H"	76.91904
"141943"	388.019458	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"2M+2K"	77.926316
"582111"	562.547608	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"3M+2K"	77.926316
"1070271"	213.491308	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2K"	77.926316
"1100798"	427.989892	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2K+H"	78.933592
"1336092"	428.077507	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+DMSO+H"	79.021207
"1006937"	432.116676	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2ACN+H"	83.060376
"1524406"	433.110308	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+IsoProp+Na+H"	84.054008
"990779"	216.561976	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+2ACN+2H"	84.067652
"1587057"	434.024928	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+K+HCOOH"	84.968628
"1415683"	464.056438	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+H+CF3COOH"	115.000138
"1147797"	237.075251	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+3ACN+2H"	125.094202
"1700268"	481.082985	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+NH4+CF3COOH"	132.026685
"1636285"	486.03838	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+Na+CF3COOH"	136.98208
"1574856"	502.01232	"C04302"	"N-(5-Phospho-D-ribosyl)anthranilate;N-(5-Phospho-beta-D-ribosyl)anthranilate;N-(5-Phosphoribosyl)anthranilic acid"	"C12H16NO9P"	"349.0563"	"M+K+CF3COOH"	152.95602
"805220"	398.1703	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M"	0
"985316"	379.15191	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-H2O-H"	-19.01839
"74654"	264.439590666667	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M-3H"	-3.021828
"513122"	397.163024	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M-3H"	-3.021828
"888737"	131.716157333333	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-3H"	-3.021828
"10594"	397.163024	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M-2H"	-2.014552
"443593"	596.248174	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M-2H"	-2.014552
"826863"	198.077874	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-2H"	-2.014552
"86857"	795.333324	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M-H"	-1.007276
"524231"	1193.503624	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M-H"	-1.007276
"903127"	397.163024	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-H"	-1.007276
"53129"	812.359871	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M-2H+NH4"	16.019271
"498156"	1210.530171	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M-2H+NH4"	16.019271
"877053"	414.189571	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-2H+NH4"	16.019271
"45316"	817.315266	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M-2H+Na"	20.974666
"483417"	1215.485566	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M-2H+Na"	20.974666
"853930"	419.144966	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-2H+Na"	20.974666
"1626385"	419.144966	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Na-2H"	20.974666
"98539"	415.151363	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M-H+Cl"	33.962126
"536641"	614.236513	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M-H+Cl"	33.962126
"931616"	216.066213	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-H+Cl"	33.962126
"274547"	831.310002	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+Cl"	34.969402
"663322"	1229.480302	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+Cl"	34.969402
"1286787"	433.139702	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Cl"	34.969402
"19744"	833.289206	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M-2H+K"	36.948606
"460396"	1231.459506	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M-2H+K"	36.948606
"840384"	435.118906	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-2H+K"	36.948606
"1560592"	435.118906	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+K-2H"	36.948606
"943735"	443.168494	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-H+HCOOH"	44.998194
"365598"	841.338801	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+HCOOH-H"	44.998201
"347294"	855.354451	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+Hac-H"	59.013851
"1492763"	457.184151	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Hac-H"	59.013851
"961479"	465.150451	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-H+NaCOOH"	66.980151
"116948"	433.139702	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+2Cl"	69.938804
"549988"	632.224852	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+2Cl"	69.938804
"1023122"	234.054552	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2Cl"	69.938804
"1253642"	477.089185	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Br"	78.918885
"1313903"	479.145172	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Cl+HCOOH"	80.974872
"1327025"	501.127129	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Cl+NaCOOH"	102.956829
"915897"	511.155886	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M-H+CF3COOH"	112.985586
"1293700"	547.132564	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Cl+CF3COOH"	148.962264
"1367361"	363.157624	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H-2H2O"	-35.012676
"1386077"	381.1676	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H-H2O"	-17.0027
"283941"	797.347876	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+H"	1.007276
"684749"	1195.518176	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+H"	1.007276
"1357820"	399.177576	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H"	1.007276
"132896"	399.177576	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+2H"	2.014552
"575737"	598.262726	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+2H"	2.014552
"1047817"	200.092426	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2H"	2.014552
"217905"	266.454142666667	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+3H"	3.021828
"651998"	399.177576	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+3H"	3.021828
"1170123"	133.730709333333	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+3H"	3.021828
"435583"	814.374423	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+NH4"	18.033823
"799858"	1212.544723	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+NH4"	18.033823
"1686354"	416.204123	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+NH4"	18.033823
"337907"	407.6908495	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+H+NH4"	19.041099
"728143"	606.7759995	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+H+NH4"	19.041099
"1477712"	208.6056995	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H+NH4"	19.041099
"405385"	819.329818	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+Na"	22.989218
"759457"	1217.500118	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+Na"	22.989218
"1609740"	421.159518	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Na"	22.989218
"320872"	410.168547	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+H+Na"	23.996494
"714384"	609.253697	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+H+Na"	23.996494
"1467113"	211.083397	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H+Na"	23.996494
"1062546"	141.058023333333	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2H+Na"	25.00377
"1266048"	431.203786	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+CH3OH+H"	33.033486
"383893"	835.303758	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+K"	38.963158
"739787"	1233.474058	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+K"	38.963158
"1544758"	437.133458	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+K"	38.963158
"299133"	418.155517	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+H+K"	39.970434
"691801"	617.240667	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+H+K"	39.970434
"1447079"	219.070367	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H+K"	39.970434
"236409"	838.374426	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+ACN+H"	42.033826
"1214955"	440.204126	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+ACN+H"	42.033826
"1194378"	220.605701	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+ACN+2H"	43.041102
"191707"	841.31176	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+2Na-H"	44.97116
"630174"	1239.48206	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+2Na-H"	44.97116
"1133314"	443.14146	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2Na-H"	44.97116
"174783"	421.159518	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+2Na"	45.978436
"613975"	620.244668	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+2Na"	45.978436
"1116749"	222.074368	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2Na"	45.978436
"1399909"	148.385337333333	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H+2Na"	46.985712
"1430247"	445.183046	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H+HCOOH"	47.012746
"220632"	426.19254	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+3H2O+2H"	56.04448
"1508476"	459.23509	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+IsoProp+H"	61.06479
"408861"	429.146488	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+Na+K"	61.952376
"771193"	628.231638	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+Na+K"	61.952376
"1666430"	230.061338	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Na+K"	61.952376
"251454"	860.356368	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+ACN+Na"	64.015768
"1226882"	462.186068	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+ACN+Na"	64.015768
"1714188"	462.209593	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+NH4+HCOOH"	64.039293
"1178738"	155.712651333333	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+3Na"	68.967654
"1650049"	467.164988	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Na+HCOOH"	68.994688
"158612"	873.25964	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+2K-H"	76.91904
"599024"	1271.42994	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+2K-H"	76.91904
"1089129"	475.08934	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2K-H"	76.91904
"144851"	437.133458	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"2M+2K"	77.926316
"581977"	636.218608	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"3M+2K"	77.926316
"1070015"	238.048308	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2K"	77.926316
"1100100"	477.103892	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2K+H"	78.933592
"1336573"	477.191507	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+DMSO+H"	79.021207
"1007535"	481.230676	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2ACN+H"	83.060376
"1524551"	482.224308	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+IsoProp+Na+H"	84.054008
"990036"	241.118976	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+2ACN+2H"	84.067652
"1591591"	483.138928	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+K+HCOOH"	84.968628
"1414454"	513.170438	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+H+CF3COOH"	115.000138
"1147340"	261.632251	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+3ACN+2H"	125.094202
"1699284"	530.196985	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+NH4+CF3COOH"	132.026685
"1637124"	535.15238	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+Na+CF3COOH"	136.98208
"1574966"	551.12632	"C04303"	"N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide"	"C19H22N6O4"	"398.1703"	"M+K+CF3COOH"	152.95602
"805331"	756.0819	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M"	0
"987616"	737.06351	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-H2O-H"	-19.01839
"75493"	503.047324	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M-3H"	-3.021828
"512138"	755.074624	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M-3H"	-3.021828
"883378"	251.020024	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-3H"	-3.021828
"3045"	755.074624	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M-2H"	-2.014552
"443702"	1133.115574	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M-2H"	-2.014552
"828068"	377.033674	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-2H"	-2.014552
"89155"	1511.156524	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M-H"	-1.007276
"529809"	2267.238424	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M-H"	-1.007276
"907611"	755.074624	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-H"	-1.007276
"54333"	1528.183071	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M-2H+NH4"	16.019271
"501304"	2284.264971	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M-2H+NH4"	16.019271
"877042"	772.101171	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-2H+NH4"	16.019271
"44336"	1533.138466	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M-2H+Na"	20.974666
"483528"	2289.220366	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M-2H+Na"	20.974666
"852948"	777.056566	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-2H+Na"	20.974666
"1628682"	777.056566	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Na-2H"	20.974666
"95041"	773.062963	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M-H+Cl"	33.962126
"542587"	1151.103913	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M-H+Cl"	33.962126
"932821"	395.022013	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-H+Cl"	33.962126
"271378"	1547.133202	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+Cl"	34.969402
"670361"	2303.215102	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+Cl"	34.969402
"1282765"	791.051302	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Cl"	34.969402
"17668"	1549.112406	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M-2H+K"	36.948606
"461602"	2305.194306	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M-2H+K"	36.948606
"835027"	793.030506	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-2H+K"	36.948606
"1559608"	793.030506	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+K-2H"	36.948606
"945305"	801.080094	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-H+HCOOH"	44.998194
"367896"	1557.162001	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+HCOOH-H"	44.998201
"353966"	1571.177651	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+Hac-H"	59.013851
"1499518"	815.095751	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Hac-H"	59.013851
"963776"	823.062051	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-H+NaCOOH"	66.980151
"113778"	791.051302	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+2Cl"	69.938804
"553338"	1169.092252	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+2Cl"	69.938804
"1024331"	413.010352	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2Cl"	69.938804
"1256958"	835.000785	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Br"	78.918885
"1314013"	837.056772	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Cl+HCOOH"	80.974872
"1330417"	859.038729	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Cl+NaCOOH"	102.956829
"921476"	869.067486	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M-H+CF3COOH"	112.985586
"1297090"	905.044164	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Cl+CF3COOH"	148.962264
"1367467"	721.069224	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H-2H2O"	-35.012676
"1384000"	739.0792	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H-H2O"	-17.0027
"295720"	1513.171076	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+H"	1.007276
"680486"	2269.252976	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+H"	1.007276
"1357930"	757.089176	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H"	1.007276
"138474"	757.089176	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+2H"	2.014552
"575847"	1135.130126	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+2H"	2.014552
"1044647"	379.048226	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2H"	2.014552
"215828"	505.061876	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+3H"	3.021828
"649922"	757.089176	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+3H"	3.021828
"1169140"	253.034576	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+3H"	3.021828
"430226"	1530.197623	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+NH4"	18.033823
"794502"	2286.279523	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+NH4"	18.033823
"1689745"	774.115723	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+NH4"	18.033823
"338017"	765.6024495	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+H+NH4"	19.041099
"727160"	1143.6433995	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+H+NH4"	19.041099
"1479888"	387.5614995	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H+NH4"	19.041099
"397476"	1535.153018	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+Na"	22.989218
"759567"	2291.234918	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+Na"	22.989218
"1610944"	779.071118	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Na"	22.989218
"315875"	768.080147	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+H+Na"	23.996494
"717775"	1146.121097	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+H+Na"	23.996494
"1469410"	390.039197	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H+Na"	23.996494
"1061563"	260.36189	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2H+Na"	25.00377
"1262514"	789.115386	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+CH3OH+H"	33.033486
"382911"	1551.126958	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+K"	38.963158
"740261"	2307.208858	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+K"	38.963158
"1540610"	795.045058	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+K"	38.963158
"300217"	776.067117	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+H+K"	39.970434
"694463"	1154.108067	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+H+K"	39.970434
"1449013"	398.026167	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H+K"	39.970434
"238342"	1554.197626	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+ACN+H"	42.033826
"1214335"	798.115726	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+ACN+H"	42.033826
"1196029"	399.561501	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+ACN+2H"	43.041102
"190724"	1557.13496	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+2Na-H"	44.97116
"631376"	2313.21686	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+2Na-H"	44.97116
"1134154"	801.05306	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2Na-H"	44.97116
"177081"	779.071118	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+2Na"	45.978436
"615180"	1157.112068	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+2Na"	45.978436
"1117226"	401.030168	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2Na"	45.978436
"1401112"	267.689204	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H+2Na"	46.985712
"1432504"	803.094646	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H+HCOOH"	47.012746
"220861"	784.10414	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+3H2O+2H"	56.04448
"1510016"	817.14669	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+IsoProp+H"	61.06479
"410673"	787.058088	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+Na+K"	61.952376
"772035"	1165.099038	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+Na+K"	61.952376
"1667028"	409.017138	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Na+K"	61.952376
"252704"	1576.179568	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+ACN+Na"	64.015768
"1227236"	820.097668	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+ACN+Na"	64.015768
"1713203"	820.121193	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+NH4+HCOOH"	64.039293
"1178842"	275.016518	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+3Na"	68.967654
"1650645"	825.076588	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Na+HCOOH"	68.994688
"157299"	1589.08284	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+2K-H"	76.91904
"597664"	2345.16474	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+2K-H"	76.91904
"1084496"	833.00094	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2K-H"	76.91904
"141588"	795.045058	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"2M+2K"	77.926316
"583777"	1173.086008	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"3M+2K"	77.926316
"1069022"	417.004108	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2K"	77.926316
"1100283"	835.015492	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2K+H"	78.933592
"1335659"	835.103107	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+DMSO+H"	79.021207
"1006183"	839.142276	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2ACN+H"	83.060376
"1524434"	840.135908	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+IsoProp+Na+H"	84.054008
"991123"	420.074776	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+2ACN+2H"	84.067652
"1588542"	841.050528	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+K+HCOOH"	84.968628
"1414805"	871.082038	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+H+CF3COOH"	115.000138
"1147158"	440.588051	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+3ACN+2H"	125.094202
"1700493"	888.108585	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+NH4+CF3COOH"	132.026685
"1637237"	893.06398	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+Na+CF3COOH"	136.98208
"1575076"	909.03792	"C04307"	"P1P2-Bis(5-adenosyl) triphosphate"	"C20H27N10O16P3"	"756.0819"	"M+K+CF3COOH"	152.95602
"802526"	197.9929	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M"	0
"988576"	178.97451	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-H2O-H"	-19.01839
"67217"	130.987990666667	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M-3H"	-3.021828
"510058"	196.985624	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M-3H"	-3.021828
"881303"	64.9903573333333	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-3H"	-3.021828
"3156"	196.985624	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M-2H"	-2.014552
"448188"	295.982074	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M-2H"	-2.014552
"823803"	97.989174	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-2H"	-2.014552
"89264"	394.978524	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M-H"	-1.007276
"527732"	592.971424	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M-H"	-1.007276
"906264"	196.985624	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-H"	-1.007276
"48241"	412.005071	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M-2H+NH4"	16.019271
"494003"	609.997971	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M-2H+NH4"	16.019271
"873993"	214.012171	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-2H+NH4"	16.019271
"44079"	416.960466	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M-2H+Na"	20.974666
"476348"	614.953366	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M-2H+Na"	20.974666
"852696"	218.967566	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-2H+Na"	20.974666
"1621497"	218.967566	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Na-2H"	20.974666
"94865"	214.973963	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M-H+Cl"	33.962126
"537229"	313.970413	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M-H+Cl"	33.962126
"931837"	115.977513	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-H+Cl"	33.962126
"275862"	430.955202	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+Cl"	34.969402
"665003"	628.948102	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+Cl"	34.969402
"1279597"	232.962302	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Cl"	34.969402
"24341"	432.934406	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M-2H+K"	36.948606
"457580"	630.927306	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M-2H+K"	36.948606
"837326"	234.941506	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-2H+K"	36.948606
"1558624"	234.941506	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+K-2H"	36.948606
"948695"	242.991094	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-H+HCOOH"	44.998194
"361967"	440.984001	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+HCOOH-H"	44.998201
"349700"	454.999651	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+Hac-H"	59.013851
"1495253"	257.006751	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Hac-H"	59.013851
"960606"	264.973051	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-H+NaCOOH"	66.980151
"111825"	232.962302	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+2Cl"	69.938804
"554544"	331.958752	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+2Cl"	69.938804
"1023348"	133.965852	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2Cl"	69.938804
"1256297"	276.911785	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Br"	78.918885
"1318864"	278.967772	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Cl+HCOOH"	80.974872
"1326152"	300.949729	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Cl+NaCOOH"	102.956829
"920493"	310.978486	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M-H+CF3COOH"	112.985586
"1293920"	346.955164	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Cl+CF3COOH"	148.962264
"1374272"	162.980224	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H-2H2O"	-35.012676
"1389582"	180.9902	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H-H2O"	-17.0027
"292186"	396.993076	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+H"	1.007276
"680596"	594.985976	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+H"	1.007276
"1355852"	199.000176	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H"	1.007276
"137856"	199.000176	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+2H"	2.014552
"575593"	297.996626	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+2H"	2.014552
"1044757"	100.003726	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2H"	2.014552
"211565"	133.002542666667	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+3H"	3.021828
"651125"	199.000176	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+3H"	3.021828
"1171437"	67.0049093333333	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+3H"	3.021828
"434710"	414.019623	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+NH4"	18.033823
"792425"	612.012523	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+NH4"	18.033823
"1687661"	216.026723	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+NH4"	18.033823
"337034"	207.5134495	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+H+NH4"	19.041099
"727270"	306.5098995	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+H+NH4"	19.041099
"1479632"	108.5169995	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H+NH4"	19.041099
"395399"	418.975018	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+Na"	22.989218
"758580"	616.967918	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+Na"	22.989218
"1604123"	220.982118	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Na"	22.989218
"317808"	209.991147	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+H+Na"	23.996494
"713512"	308.987597	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+H+Na"	23.996494
"1466239"	110.994697	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H+Na"	23.996494
"1061673"	74.3322233333333	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2H+Na"	25.00377
"1257395"	231.026386	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+CH3OH+H"	33.033486
"377910"	434.948958	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+K"	38.963158
"742921"	632.941858	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+K"	38.963158
"1540350"	236.956058	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+K"	38.963158
"302514"	217.978117	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+H+K"	39.970434
"697124"	316.974567	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+H+K"	39.970434
"1446934"	118.981667	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H+K"	39.970434
"236872"	438.019626	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+ACN+H"	42.033826
"1212258"	240.026726	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+ACN+H"	42.033826
"1195773"	120.517001	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+ACN+2H"	43.041102
"193021"	440.95696	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+2Na-H"	44.97116
"634768"	638.94986	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+2Na-H"	44.97116
"1134994"	242.96406	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2Na-H"	44.97116
"177553"	220.982118	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+2Na"	45.978436
"617113"	319.978568	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+2Na"	45.978436
"1123534"	121.985668	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2Na"	45.978436
"1399399"	81.6595373333333	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H+2Na"	46.985712
"1431520"	245.005646	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H+HCOOH"	47.012746
"221698"	226.01514	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+3H2O+2H"	56.04448
"1509642"	259.05769	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+IsoProp+H"	61.06479
"409690"	228.969088	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+Na+K"	61.952376
"771782"	327.965538	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+Na+K"	61.952376
"1667019"	129.972638	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Na+K"	61.952376
"252814"	460.001568	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+ACN+Na"	64.015768
"1227343"	262.008668	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+ACN+Na"	64.015768
"1714414"	262.032193	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+NH4+HCOOH"	64.039293
"1179031"	88.9868513333333	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+3Na"	68.967654
"1654036"	266.987588	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Na+HCOOH"	68.994688
"157485"	472.90484	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+2K-H"	76.91904
"597453"	670.89774	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+2K-H"	76.91904
"1085337"	274.91194	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2K-H"	76.91904
"143005"	236.956058	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"2M+2K"	77.926316
"583781"	335.952508	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"3M+2K"	77.926316
"1070358"	137.959608	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2K"	77.926316
"1103447"	276.926492	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2K+H"	78.933592
"1336426"	277.014107	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+DMSO+H"	79.021207
"1009456"	281.053276	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2ACN+H"	83.060376
"1525389"	282.046908	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+IsoProp+Na+H"	84.054008
"990869"	141.030276	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+2ACN+2H"	84.067652
"1587090"	282.961528	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+K+HCOOH"	84.968628
"1414677"	312.993038	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+H+CF3COOH"	115.000138
"1153240"	161.543551	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+3ACN+2H"	125.094202
"1703885"	330.019585	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+NH4+CF3COOH"	132.026685
"1637348"	334.97498	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+Na+CF3COOH"	136.98208
"1585029"	350.94892	"C04309"	"Phosphoenol-4-deoxy-3-tetrulosonate"	"C4H7O7P"	"197.9929"	"M+K+CF3COOH"	152.95602
"816493"	162.0681	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M"	0
"985653"	143.04971	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"74989"	107.038124	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"514550"	161.060824	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"894538"	53.015424	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"8742"	161.060824	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"445023"	242.094874	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"821001"	80.026774	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"90468"	323.128924	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"531125"	485.197024	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"907832"	161.060824	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"60022"	340.155471	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"489126"	502.223571	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"867539"	178.087371	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"42009"	345.110866	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"476103"	507.178966	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"857188"	183.042766	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1627815"	183.042766	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"97781"	179.049163	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"536248"	260.083213	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"933043"	98.015113	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"270509"	359.105602	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"664023"	521.173702	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1281895"	197.037502	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"23357"	361.084806	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"464012"	523.152906	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"834521"	199.016706	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1556552"	199.016706	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"948811"	207.066294	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"369214"	369.134401	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"348723"	383.150051	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1506682"	221.081951	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"971670"	229.048251	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"123127"	197.037502	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"563055"	278.071552	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1035374"	116.003452	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1255801"	240.986985	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1309861"	243.042972	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1334418"	265.024929	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"924624"	275.053686	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1300600"	311.030364	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1377666"	127.055424	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1392978"	145.0654	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"293758"	325.143476	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"688733"	487.211576	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1360340"	163.075376	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"136509"	163.075376	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"570601"	244.109426	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1045962"	82.041326	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"210582"	109.052676	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"654514"	163.075376	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1170453"	55.029976	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"430445"	342.170023	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"790348"	504.238123	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1687772"	180.101923	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"340424"	171.5886495	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"728835"	252.6226995	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1479748"	90.5545995	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"399887"	347.125418	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"759787"	509.193518	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1604239"	185.057318	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"315736"	174.066347	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"707911"	255.100397	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1461973"	93.032297	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1055222"	62.35729	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1260182"	195.101586	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"377661"	363.099358	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"739142"	525.167458	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1542169"	201.031258	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"302993"	182.053317	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"693591"	263.087367	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1446559"	101.019267	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"235890"	366.170026	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1211027"	204.101926	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1195397"	102.554601	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"192768"	369.10736	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"630138"	531.17546	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1133276"	207.03926	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"174021"	185.057318	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"617964"	266.091368	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1123659"	104.023268	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1406091"	69.684604	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1438570"	209.080846	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"223522"	190.09034	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1511943"	223.13289	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"410903"	193.044288	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"772261"	274.078338	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1665775"	112.010238	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"253290"	388.151968	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1229649"	226.083868	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1716349"	226.107393	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1179756"	77.011918	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1650659"	231.062788	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"158576"	401.05524	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"598499"	563.12334	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1085317"	238.98714	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"141936"	201.031258	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"583768"	282.065308	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1069120"	119.997208	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1099985"	241.001692	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1336045"	241.089307	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1005913"	245.128476	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1526606"	246.122108	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"1000714"	123.067876	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1600690"	247.036728	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1428173"	277.068238	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1154446"	143.581151	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1702906"	294.094785	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1647304"	299.05018	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1585142"	315.02412	"C04314"	"cis-12-Dihydronaphthalene-12-diol;(1R2S)-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"808947"	907.1989	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M"	0
"989050"	888.18051	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H2O-H"	-19.01839
"77653"	603.791990666667	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-3H"	-3.021828
"515756"	906.191624	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-3H"	-3.021828
"888090"	301.392357333333	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-3H"	-3.021828
"8855"	906.191624	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H"	-2.014552
"448414"	1359.791074	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H"	-2.014552
"829496"	452.592174	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H"	-2.014552
"93619"	1813.390524	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-H"	-1.007276
"530141"	2720.589424	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-H"	-1.007276
"909401"	906.191624	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H"	-1.007276
"49560"	1830.417071	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H+NH4"	16.019271
"491674"	2737.615971	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H+NH4"	16.019271
"877500"	923.218171	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H+NH4"	16.019271
"44309"	1835.372466	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H+Na"	20.974666
"482780"	2742.571366	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H+Na"	20.974666
"861675"	928.173566	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H+Na"	20.974666
"1624645"	928.173566	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na-2H"	20.974666
"106642"	924.179963	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-H+Cl"	33.962126
"546204"	1377.779413	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-H+Cl"	33.962126
"928782"	470.580513	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+Cl"	33.962126
"271710"	1849.367202	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Cl"	34.969402
"661944"	2756.566102	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+Cl"	34.969402
"1274713"	942.168302	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl"	34.969402
"19090"	1851.346406	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H+K"	36.948606
"456830"	2758.545306	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H+K"	36.948606
"836457"	944.147506	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H+K"	36.948606
"1570517"	944.147506	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K-2H"	36.948606
"953296"	952.197094	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+HCOOH"	44.998194
"376376"	1859.396001	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+HCOOH-H"	44.998201
"360025"	1873.411651	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Hac-H"	59.013851
"1506426"	966.212751	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Hac-H"	59.013851
"970317"	974.179051	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+NaCOOH"	66.980151
"122507"	942.168302	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2Cl"	69.938804
"562796"	1395.767752	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2Cl"	69.938804
"1035971"	488.568852	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2Cl"	69.938804
"1246433"	986.117785	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Br"	78.918885
"1318978"	988.173772	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl+HCOOH"	80.974872
"1334287"	1010.155729	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl+NaCOOH"	102.956829
"922912"	1020.184486	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+CF3COOH"	112.985586
"1299619"	1056.161164	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl+CF3COOH"	148.962264
"1377049"	872.186224	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H-2H2O"	-35.012676
"1391997"	890.1962	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H-H2O"	-17.0027
"294235"	1815.405076	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H"	1.007276
"681914"	2722.603976	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H"	1.007276
"1356075"	908.206176	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H"	1.007276
"132614"	908.206176	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2H"	2.014552
"573995"	1361.805626	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2H"	2.014552
"1042064"	454.606726	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2H"	2.014552
"209600"	605.806542666667	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+3H"	3.021828
"650252"	908.206176	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+3H"	3.021828
"1167650"	303.406909333333	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+3H"	3.021828
"428734"	1832.431623	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+NH4"	18.033823
"791555"	2739.630523	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+NH4"	18.033823
"1690070"	925.232723	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+NH4"	18.033823
"336165"	916.7194495	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H+NH4"	19.041099
"724337"	1370.3188995	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H+NH4"	19.041099
"1481317"	463.1199995	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+NH4"	19.041099
"396716"	1837.387018	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Na"	22.989218
"764272"	2744.585918	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+Na"	22.989218
"1603986"	930.188118	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na"	22.989218
"315241"	919.197147	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H+Na"	23.996494
"708272"	1372.796597	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H+Na"	23.996494
"1461965"	465.597697	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+Na"	23.996494
"1053999"	310.734223333333	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2H+Na"	25.00377
"1258837"	940.232386	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+CH3OH+H"	33.033486
"380689"	1853.360958	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+K"	38.963158
"744237"	2760.559858	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+K"	38.963158
"1542645"	946.162058	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K"	38.963158
"301646"	927.184117	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H+K"	39.970434
"692121"	1380.783567	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H+K"	39.970434
"1446792"	473.584667	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+K"	39.970434
"236488"	1856.431626	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+ACN+H"	42.033826
"1210775"	949.232726	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+ACN+H"	42.033826
"1195633"	475.120001	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+ACN+2H"	43.041102
"189596"	1859.36896	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2Na-H"	44.97116
"631702"	2766.56786	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2Na-H"	44.97116
"1133148"	952.17006	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2Na-H"	44.97116
"174374"	930.188118	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2Na"	45.978436
"614304"	1383.787568	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2Na"	45.978436
"1124861"	476.588668	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2Na"	45.978436
"1409482"	318.061537333333	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+2Na"	46.985712
"1439409"	954.211646	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+HCOOH"	47.012746
"225821"	935.22114	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+3H2O+2H"	56.04448
"1510601"	968.26369	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+IsoProp+H"	61.06479
"412841"	938.175088	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Na+K"	61.952376
"772373"	1391.774538	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+Na+K"	61.952376
"1667974"	484.575638	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na+K"	61.952376
"253768"	1878.413568	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+ACN+Na"	64.015768
"1232315"	971.214668	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+ACN+Na"	64.015768
"1716828"	971.238193	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+NH4+HCOOH"	64.039293
"1183276"	325.388851333333	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+3Na"	68.967654
"1656450"	976.193588	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na+HCOOH"	68.994688
"160030"	1891.31684	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2K-H"	76.91904
"603964"	2798.51574	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2K-H"	76.91904
"1091757"	984.11794	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2K-H"	76.91904
"147481"	946.162058	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2K"	77.926316
"584854"	1399.761508	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2K"	77.926316
"1068528"	492.562608	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2K"	77.926316
"1099934"	986.132492	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2K+H"	78.933592
"1336035"	986.220107	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+DMSO+H"	79.021207
"1018437"	990.259276	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2ACN+H"	83.060376
"1532186"	991.252908	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+IsoProp+Na+H"	84.054008
"1000824"	495.633276	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2ACN+2H"	84.067652
"1600797"	992.167528	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K+HCOOH"	84.968628
"1426454"	1022.199038	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+CF3COOH"	115.000138
"1156741"	516.146551	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+3ACN+2H"	125.094202
"1704106"	1039.225585	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+NH4+CF3COOH"	132.026685
"1644132"	1044.18098	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na+CF3COOH"	136.98208
"1585252"	1060.15492	"C04316"	"(1-Hydroxycyclohexan-1-yl)acetyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K+CF3COOH"	152.95602
"803590"	400.1998	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M"	0
"980405"	381.18141	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-H2O-H"	-19.01839
"73021"	265.792590666667	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M-3H"	-3.021828
"514769"	399.192524	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M-3H"	-3.021828
"893302"	132.392657333333	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-3H"	-3.021828
"4589"	399.192524	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M-2H"	-2.014552
"446337"	599.292424	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M-2H"	-2.014552
"821951"	199.092624	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-2H"	-2.014552
"85222"	799.392324	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M-H"	-1.007276
"524784"	1199.592124	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M-H"	-1.007276
"901130"	399.192524	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-H"	-1.007276
"55871"	816.418871	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M-2H+NH4"	16.019271
"496529"	1216.618671	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M-2H+NH4"	16.019271
"874330"	416.219071	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-2H+NH4"	16.019271
"41143"	821.374266	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M-2H+Na"	20.974666
"483617"	1221.574066	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M-2H+Na"	20.974666
"858503"	421.174466	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-2H+Na"	20.974666
"1631317"	421.174466	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Na-2H"	20.974666
"100189"	417.180863	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M-H+Cl"	33.962126
"535377"	617.280763	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M-H+Cl"	33.962126
"928643"	217.080963	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-H+Cl"	33.962126
"268658"	835.369002	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+Cl"	34.969402
"660508"	1235.568802	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+Cl"	34.969402
"1273317"	435.169202	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Cl"	34.969402
"16199"	837.348206	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M-2H+K"	36.948606
"463141"	1237.548006	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M-2H+K"	36.948606
"844224"	437.148406	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-2H+K"	36.948606
"1568806"	437.148406	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+K-2H"	36.948606
"958457"	445.197994	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-H+HCOOH"	44.998194
"376827"	845.397801	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+HCOOH-H"	44.998201
"360747"	859.413451	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+Hac-H"	59.013851
"1505439"	459.213651	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Hac-H"	59.013851
"972618"	467.179951	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-H+NaCOOH"	66.980151
"123712"	435.169202	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+2Cl"	69.938804
"565095"	635.269102	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+2Cl"	69.938804
"1034622"	235.069302	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2Cl"	69.938804
"1256028"	479.118685	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Br"	78.918885
"1318113"	481.174672	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Cl+HCOOH"	80.974872
"1335005"	503.156629	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Cl+NaCOOH"	102.956829
"925574"	513.185386	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M-H+CF3COOH"	112.985586
"1301552"	549.162064	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Cl+CF3COOH"	148.962264
"1379348"	365.187124	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H-2H2O"	-35.012676
"1392107"	383.1971	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H-H2O"	-17.0027
"290699"	801.406876	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+H"	1.007276
"685308"	1201.606676	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+H"	1.007276
"1355095"	401.207076	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H"	1.007276
"132359"	401.207076	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+2H"	2.014552
"574105"	601.306976	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+2H"	2.014552
"1043996"	201.107176	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2H"	2.014552
"210804"	267.807142666667	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+3H"	3.021828
"655835"	401.207076	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+3H"	3.021828
"1172866"	134.407209333333	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+3H"	3.021828
"429577"	818.433423	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+NH4"	18.033823
"790572"	1218.633223	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+NH4"	18.033823
"1692372"	418.233623	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+NH4"	18.033823
"332999"	409.7203495	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+H+NH4"	19.041099
"726515"	609.8202495	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+H+NH4"	19.041099
"1483614"	209.6204495	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H+NH4"	19.041099
"396826"	823.388818	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+Na"	22.989218
"761102"	1223.588618	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+Na"	22.989218
"1611393"	423.189018	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Na"	22.989218
"317055"	412.198047	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+H+Na"	23.996494
"712759"	612.297947	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+H+Na"	23.996494
"1461550"	212.098147	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H+Na"	23.996494
"1055085"	141.734523333333	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2H+Na"	25.00377
"1258584"	433.233286	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+CH3OH+H"	33.033486
"380437"	839.362758	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+K"	38.963158
"742162"	1239.562558	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+K"	38.963158
"1542395"	439.162958	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+K"	38.963158
"301756"	420.185017	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+H+K"	39.970434
"692719"	620.284917	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+H+K"	39.970434
"1449457"	220.085117	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H+K"	39.970434
"242798"	842.433426	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+ACN+H"	42.033826
"1211129"	442.233626	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+ACN+H"	42.033826
"1196464"	221.620451	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+ACN+2H"	43.041102
"189583"	845.37076	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+2Na-H"	44.97116
"629633"	1245.57056	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+2Na-H"	44.97116
"1132411"	445.17096	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2Na-H"	44.97116
"174973"	423.189018	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+2Na"	45.978436
"622560"	623.288918	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+2Na"	45.978436
"1127161"	223.089118	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2Na"	45.978436
"1408498"	149.061837333333	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H+2Na"	46.985712
"1438425"	447.212546	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H+HCOOH"	47.012746
"222652"	428.22204	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+3H2O+2H"	56.04448
"1516183"	461.26459	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+IsoProp+H"	61.06479
"412588"	431.175988	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+Na+K"	61.952376
"772120"	631.275888	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+Na+K"	61.952376
"1669183"	231.076088	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Na+K"	61.952376
"258625"	864.415368	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+ACN+Na"	64.015768
"1232428"	464.215568	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+ACN+Na"	64.015768
"1718033"	464.239093	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+NH4+HCOOH"	64.039293
"1182658"	156.389151333333	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+3Na"	68.967654
"1658746"	469.194488	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Na+HCOOH"	68.994688
"158681"	877.31864	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+2K-H"	76.91904
"604073"	1277.51844	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+2K-H"	76.91904
"1088949"	477.11884	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2K-H"	76.91904
"147591"	439.162958	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"2M+2K"	77.926316
"581475"	639.262858	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"3M+2K"	77.926316
"1068664"	239.063058	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2K"	77.926316
"1100743"	479.133392	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2K+H"	78.933592
"1344548"	479.221007	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+DMSO+H"	79.021207
"1013081"	483.260176	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2ACN+H"	83.060376
"1538621"	484.253808	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+IsoProp+Na+H"	84.054008
"999843"	242.133726	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+2ACN+2H"	84.067652
"1599812"	485.168428	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+K+HCOOH"	84.968628
"1424377"	515.199938	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+H+CF3COOH"	115.000138
"1155758"	262.647001	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+3ACN+2H"	125.094202
"1704217"	532.226485	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+NH4+CF3COOH"	132.026685
"1638774"	537.18188	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+Na+CF3COOH"	136.98208
"1575523"	553.15582	"C04318"	"11-O-Demethyl-17-O-deacetylvindoline"	"C22H28N2O5"	"400.1998"	"M+K+CF3COOH"	152.95602
"802607"	113.0477	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M"	0
"985983"	94.02931	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H2O-H"	-19.01839
"74228"	74.3578573333333	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-3H"	-3.021828
"514880"	112.040424	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-3H"	-3.021828
"886123"	36.6752906666667	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-3H"	-3.021828
"3606"	112.040424	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H"	-2.014552
"440979"	168.564274	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H"	-2.014552
"819875"	55.516574	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H"	-2.014552
"79865"	225.088124	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-H"	-1.007276
"520153"	338.135824	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-H"	-1.007276
"900512"	112.040424	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H"	-1.007276
"55981"	242.114671	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+NH4"	16.019271
"490079"	355.162371	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+NH4"	16.019271
"867880"	129.066971	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+NH4"	16.019271
"42345"	247.070066	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+Na"	20.974666
"476437"	360.117766	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+Na"	20.974666
"857519"	134.022366	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+Na"	20.974666
"1628146"	134.022366	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na-2H"	20.974666
"102487"	130.028763	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-H+Cl"	33.962126
"537673"	186.552613	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-H+Cl"	33.962126
"927903"	73.504913	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+Cl"	33.962126
"269743"	261.064802	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Cl"	34.969402
"660580"	374.112502	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Cl"	34.969402
"1272928"	148.017102	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl"	34.969402
"17123"	263.044006	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M-2H+K"	36.948606
"463251"	376.091706	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M-2H+K"	36.948606
"844334"	149.996306	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-2H+K"	36.948606
"1570009"	149.996306	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K-2H"	36.948606
"958456"	158.045894	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+HCOOH"	44.998194
"375756"	271.093601	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+HCOOH-H"	44.998201
"360731"	285.109251	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Hac-H"	59.013851
"1505549"	172.061551	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Hac-H"	59.013851
"972723"	180.027851	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+NaCOOH"	66.980151
"121994"	148.017102	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Cl"	69.938804
"564833"	204.540952	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Cl"	69.938804
"1033633"	91.493252	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Cl"	69.938804
"1248839"	191.966585	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Br"	78.918885
"1318952"	194.022572	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+HCOOH"	80.974872
"1330979"	216.004529	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+NaCOOH"	102.956829
"923861"	226.033286	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M-H+CF3COOH"	112.985586
"1298746"	262.009964	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Cl+CF3COOH"	148.962264
"1371438"	78.035024	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H-2H2O"	-35.012676
"1387843"	96.045	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H-H2O"	-17.0027
"285340"	227.102676	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H"	1.007276
"679948"	340.150376	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H"	1.007276
"1355203"	114.054976	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H"	1.007276
"131375"	114.054976	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2H"	2.014552
"573123"	170.578826	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2H"	2.014552
"1044108"	57.531126	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2H"	2.014552
"207634"	76.3724093333333	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+3H"	3.021828
"652665"	114.054976	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+3H"	3.021828
"1171882"	38.6898426666667	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+3H"	3.021828
"430780"	244.129223	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+NH4"	18.033823
"788859"	357.176923	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+NH4"	18.033823
"1686284"	131.081523	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4"	18.033823
"332379"	122.5682495	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+NH4"	19.041099
"723709"	179.0920995	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+NH4"	19.041099
"1480444"	66.0443995	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+NH4"	19.041099
"398029"	249.084618	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Na"	22.989218
"761212"	362.132318	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Na"	22.989218
"1612596"	136.036918	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na"	22.989218
"318259"	125.045947	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+Na"	23.996494
"709224"	181.569797	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+Na"	23.996494
"1463772"	68.522097	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+Na"	23.996494
"1053127"	46.0171566666667	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2H+Na"	25.00377
"1260516"	146.081186	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+CH3OH+H"	33.033486
"378360"	265.058558	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+K"	38.963158
"740448"	378.106258	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+K"	38.963158
"1540068"	152.010858	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K"	38.963158
"300407"	133.032917	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+H+K"	39.970434
"693192"	189.556767	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+H+K"	39.970434
"1445646"	76.509067	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+K"	39.970434
"238532"	268.129226	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+ACN+H"	42.033826
"1210869"	155.081526	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+H"	42.033826
"1195488"	78.044401	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+2H"	43.041102
"189445"	271.06656	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Na-H"	44.97116
"629376"	384.11426	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Na-H"	44.97116
"1132644"	158.01886	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Na-H"	44.97116
"173543"	136.036918	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2Na"	45.978436
"622670"	192.560768	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2Na"	45.978436
"1118523"	79.513068	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2Na"	45.978436
"1407881"	53.3444706666667	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+2Na"	46.985712
"1439265"	160.060446	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+HCOOH"	47.012746
"227137"	141.06994	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+3H2O+2H"	56.04448
"1514106"	174.11249	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+IsoProp+H"	61.06479
"413793"	144.023888	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+Na+K"	61.952376
"775881"	200.547738	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+Na+K"	61.952376
"1671119"	87.500038	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+K"	61.952376
"257642"	290.111168	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+ACN+Na"	64.015768
"1235818"	177.063468	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+ACN+Na"	64.015768
"1724704"	177.086993	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4+HCOOH"	64.039293
"1185685"	60.6717846666667	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+3Na"	68.967654
"1658858"	182.042388	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+HCOOH"	68.994688
"163531"	303.01444	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2K-H"	76.91904
"603091"	416.06214	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2K-H"	76.91904
"1089790"	189.96674	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K-H"	76.91904
"145515"	152.010858	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"2M+2K"	77.926316
"583007"	208.534708	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"3M+2K"	77.926316
"1068492"	95.487008	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K"	77.926316
"1100165"	191.981292	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2K+H"	78.933592
"1342471"	192.068907	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+DMSO+H"	79.021207
"1013191"	196.108076	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2ACN+H"	83.060376
"1538609"	197.101708	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+IsoProp+Na+H"	84.054008
"1001047"	98.557676	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+2ACN+2H"	84.067652
"1597736"	198.016328	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K+HCOOH"	84.968628
"1422302"	228.047838	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+H+CF3COOH"	115.000138
"1155868"	119.070951	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+3ACN+2H"	125.094202
"1701411"	245.074385	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+NH4+CF3COOH"	132.026685
"1638886"	250.02978	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+Na+CF3COOH"	136.98208
"1578911"	266.00372	"C04322"	"delta-1-Pyrroline-5-carboxylate;34-Dihydro-2H-Pyrrole-2-carboxylate"	"C5H7NO2"	"113.0477"	"M+K+CF3COOH"	152.95602
"802717"	247.9643	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M"	0
"987186"	228.94591	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-H2O-H"	-19.01839
"75429"	164.302257333333	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M-3H"	-3.021828
"514991"	246.957024	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M-3H"	-3.021828
"884049"	81.6474906666667	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-3H"	-3.021828
"2621"	246.957024	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M-2H"	-2.014552
"444367"	370.939174	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M-2H"	-2.014552
"822170"	122.974874	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-2H"	-2.014552
"84349"	494.921324	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M-H"	-1.007276
"521723"	742.885624	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M-H"	-1.007276
"900622"	246.957024	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-H"	-1.007276
"54997"	511.947871	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M-2H+NH4"	16.019271
"490189"	759.912171	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M-2H+NH4"	16.019271
"864581"	263.983571	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-2H+NH4"	16.019271
"35893"	516.903266	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M-2H+Na"	20.974666
"479827"	764.867566	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M-2H+Na"	20.974666
"857628"	268.938966	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-2H+Na"	20.974666
"1624976"	268.938966	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Na-2H"	20.974666
"98224"	264.945363	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M-H+Cl"	33.962126
"535597"	388.927513	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M-H+Cl"	33.962126
"927649"	140.963213	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-H+Cl"	33.962126
"269122"	530.898002	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+Cl"	34.969402
"660195"	778.862302	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+Cl"	34.969402
"1273216"	282.933702	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Cl"	34.969402
"16623"	532.877206	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M-2H+K"	36.948606
"463361"	780.841506	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M-2H+K"	36.948606
"844444"	284.912906	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-2H+K"	36.948606
"1569027"	284.912906	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+K-2H"	36.948606
"956183"	292.962494	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-H+HCOOH"	44.998194
"376429"	540.926801	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+HCOOH-H"	44.998201
"358286"	554.942451	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+Hac-H"	59.013851
"1500191"	306.978151	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Hac-H"	59.013851
"962627"	314.944451	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-H+NaCOOH"	66.980151
"115544"	282.933702	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+2Cl"	69.938804
"555104"	406.915852	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+2Cl"	69.938804
"1024266"	158.951552	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2Cl"	69.938804
"1245670"	326.883185	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Br"	78.918885
"1319426"	328.939172	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Cl+HCOOH"	80.974872
"1331089"	350.921129	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Cl+NaCOOH"	102.956829
"925063"	360.949886	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M-H+CF3COOH"	112.985586
"1298856"	396.926564	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Cl+CF3COOH"	148.962264
"1374829"	212.951624	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H-2H2O"	-35.012676
"1391233"	230.9616	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H-H2O"	-17.0027
"288733"	496.935876	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+H"	1.007276
"678966"	744.900176	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+H"	1.007276
"1358597"	248.971576	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H"	1.007276
"132580"	248.971576	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+2H"	2.014552
"572138"	372.953726	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+2H"	2.014552
"1040938"	124.989426	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2H"	2.014552
"209934"	166.316809333333	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+3H"	3.021828
"651681"	248.971576	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+3H"	3.021828
"1173087"	83.6620426666667	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+3H"	3.021828
"434173"	513.962423	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+NH4"	18.033823
"791887"	761.926723	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+NH4"	18.033823
"1688217"	265.998123	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+NH4"	18.033823
"332489"	257.4848495	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+H+NH4"	19.041099
"723819"	381.4669995	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+H+NH4"	19.041099
"1478730"	133.5026995	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H+NH4"	19.041099
"398138"	518.917818	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+Na"	22.989218
"762415"	766.882118	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+Na"	22.989218
"1611613"	270.953518	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Na"	22.989218
"321649"	259.962547	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+H+Na"	23.996494
"711886"	383.944697	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+H+Na"	23.996494
"1464611"	135.980397	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H+Na"	23.996494
"1055670"	90.9893566666667	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2H+Na"	25.00377
"1259536"	280.997786	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+CH3OH+H"	33.033486
"382485"	534.891758	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+K"	38.963158
"742380"	782.856058	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+K"	38.963158
"1540424"	286.927458	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+K"	38.963158
"300517"	267.949517	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+H+K"	39.970434
"691845"	391.931667	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+H+K"	39.970434
"1446030"	143.967367	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H+K"	39.970434
"236448"	537.962426	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+ACN+H"	42.033826
"1210296"	289.998126	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+ACN+H"	42.033826
"1198515"	145.502701	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+ACN+2H"	43.041102
"190284"	540.89976	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+2Na-H"	44.97116
"630213"	788.86406	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+2Na-H"	44.97116
"1131538"	292.93546	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2Na-H"	44.97116
"173614"	270.953518	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+2Na"	45.978436
"612928"	394.935668	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+2Na"	45.978436
"1119728"	146.971368	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2Na"	45.978436
"1403251"	98.3166706666667	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H+2Na"	46.985712
"1432087"	294.977046	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H+HCOOH"	47.012746
"227249"	275.98654	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+3H2O+2H"	56.04448
"1509722"	309.02909	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+IsoProp+H"	61.06479
"411718"	278.940488	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+Na+K"	61.952376
"772713"	402.922638	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+Na+K"	61.952376
"1672323"	154.958338	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Na+K"	61.952376
"258847"	559.944368	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+ACN+Na"	64.015768
"1237753"	311.980068	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+ACN+Na"	64.015768
"1723723"	312.003593	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+NH4+HCOOH"	64.039293
"1184702"	105.643984666667	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+3Na"	68.967654
"1650584"	316.958988	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Na+HCOOH"	68.994688
"164735"	572.84764	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+2K-H"	76.91904
"599190"	820.81194	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+2K-H"	76.91904
"1086620"	324.88334	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2K-H"	76.91904
"145625"	286.927458	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"2M+2K"	77.926316
"582186"	410.909608	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"3M+2K"	77.926316
"1069818"	162.945308	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2K"	77.926316
"1100599"	326.897892	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2K+H"	78.933592
"1343674"	326.985507	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+DMSO+H"	79.021207
"1013301"	331.024676	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2ACN+H"	83.060376
"1536896"	332.018308	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+IsoProp+Na+H"	84.054008
"1000063"	166.015976	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+2ACN+2H"	84.067652
"1595658"	332.932928	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+K+HCOOH"	84.968628
"1422410"	362.964438	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+H+CF3COOH"	115.000138
"1155980"	186.529251	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+3ACN+2H"	125.094202
"1706625"	379.990985	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+NH4+CF3COOH"	132.026685
"1642275"	384.94638	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+Na+CF3COOH"	136.98208
"1585581"	400.92032	"C04323"	"35-Dichloro-4-hydroxyphenylpyruvate"	"C9H6Cl2O4"	"247.9643"	"M+K+CF3COOH"	152.95602
"806107"	202.0114	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M"	0
"987296"	182.99301	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-H2O-H"	-19.01839
"78176"	133.666990666667	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M-3H"	-3.021828
"518100"	201.004124	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M-3H"	-3.021828
"888533"	66.3298573333333	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-3H"	-3.021828
"4920"	201.004124	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M-2H"	-2.014552
"445573"	302.009824	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M-2H"	-2.014552
"821190"	99.998424	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-2H"	-2.014552
"83369"	403.015524	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M-H"	-1.007276
"521835"	605.026924	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M-H"	-1.007276
"899639"	201.004124	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-H"	-1.007276
"55107"	420.042071	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M-2H+NH4"	16.019271
"492486"	622.053471	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M-2H+NH4"	16.019271
"864941"	218.030671	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-2H+NH4"	16.019271
"39283"	424.997466	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M-2H+Na"	20.974666
"482854"	627.008866	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M-2H+Na"	20.974666
"859925"	222.986066	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-2H+Na"	20.974666
"1630919"	222.986066	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Na-2H"	20.974666
"101614"	218.992463	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M-H+Cl"	33.962126
"535098"	319.998163	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M-H+Cl"	33.962126
"927999"	117.986763	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-H+Cl"	33.962126
"270327"	438.992202	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+Cl"	34.969402
"660679"	641.003602	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+Cl"	34.969402
"1274422"	236.980802	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Cl"	34.969402
"17343"	440.971406	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M-2H+K"	36.948606
"463471"	642.982806	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M-2H+K"	36.948606
"847475"	238.960006	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-2H+K"	36.948606
"1571171"	238.960006	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+K-2H"	36.948606
"958312"	247.009594	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-H+HCOOH"	44.998194
"376581"	449.021001	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+HCOOH-H"	44.998201
"360586"	463.036651	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+Hac-H"	59.013851
"1501394"	261.025251	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Hac-H"	59.013851
"972944"	268.991551	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-H+NaCOOH"	66.980151
"124041"	236.980802	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+2Cl"	69.938804
"563600"	337.986502	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+2Cl"	69.938804
"1036044"	135.975102	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2Cl"	69.938804
"1250156"	280.930285	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Br"	78.918885
"1319496"	282.986272	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Cl+HCOOH"	80.974872
"1334482"	304.968229	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Cl+NaCOOH"	102.956829
"924810"	314.996986	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M-H+CF3COOH"	112.985586
"1303341"	350.973664	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Cl+CF3COOH"	148.962264
"1379315"	166.998724	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H-2H2O"	-35.012676
"1394626"	185.0087	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H-H2O"	-17.0027
"294310"	405.030076	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+H"	1.007276
"684545"	607.041476	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+H"	1.007276
"1363082"	203.018676	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H"	1.007276
"138159"	203.018676	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+2H"	2.014552
"572248"	304.024376	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+2H"	2.014552
"1044694"	102.012976	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2H"	2.014552
"215147"	135.681542666667	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+3H"	3.021828
"657625"	203.018676	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+3H"	3.021828
"1176363"	68.3444093333333	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+3H"	3.021828
"439266"	422.056623	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+NH4"	18.033823
"796371"	624.068023	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+NH4"	18.033823
"1688327"	220.045223	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+NH4"	18.033823
"333329"	211.5319495	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+H+NH4"	19.041099
"726844"	312.5376495	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+H+NH4"	19.041099
"1480298"	110.5262495	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H+NH4"	19.041099
"394602"	427.012018	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+Na"	22.989218
"756326"	629.023418	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+Na"	22.989218
"1617677"	225.000618	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Na"	22.989218
"329050"	214.009647	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+H+Na"	23.996494
"717465"	315.015347	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+H+Na"	23.996494
"1472376"	113.003947	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H+Na"	23.996494
"1064529"	75.6717233333333	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2H+Na"	25.00377
"1267301"	235.044886	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+CH3OH+H"	33.033486
"385877"	442.985958	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+K"	38.963158
"744683"	644.997358	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+K"	38.963158
"1540580"	240.974558	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+K"	38.963158
"299536"	221.996617	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+H+K"	39.970434
"694146"	323.002317	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+H+K"	39.970434
"1448328"	120.990917	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H+K"	39.970434
"237294"	446.056626	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+ACN+H"	42.033826
"1211098"	244.045226	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+ACN+H"	42.033826
"1196802"	122.526251	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+ACN+2H"	43.041102
"189428"	448.99396	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+2Na-H"	44.97116
"629475"	651.00536	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+2Na-H"	44.97116
"1132500"	246.98256	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2Na-H"	44.97116
"174213"	225.000618	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+2Na"	45.978436
"616331"	326.006318	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+2Na"	45.978436
"1123118"	123.994918	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2Na"	45.978436
"1407735"	82.9990373333333	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H+2Na"	46.985712
"1435477"	249.024146	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H+HCOOH"	47.012746
"232826"	230.03364	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+3H2O+2H"	56.04448
"1517610"	263.07619	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+IsoProp+H"	61.06479
"415108"	232.987588	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+Na+K"	61.952376
"772823"	333.993288	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+Na+K"	61.952376
"1672433"	131.981888	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Na+K"	61.952376
"263696"	468.038568	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+ACN+Na"	64.015768
"1236039"	266.027168	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+ACN+Na"	64.015768
"1726020"	266.050693	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+NH4+HCOOH"	64.039293
"1191372"	90.3263513333333	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+3Na"	68.967654
"1655797"	271.006088	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Na+HCOOH"	68.994688
"165938"	480.94184	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+2K-H"	76.91904
"602216"	682.95324	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+2K-H"	76.91904
"1087825"	278.93044	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2K-H"	76.91904
"144641"	240.974558	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"2M+2K"	77.926316
"583108"	341.980258	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"3M+2K"	77.926316
"1074180"	139.968858	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2K"	77.926316
"1100263"	280.944992	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2K+H"	78.933592
"1341597"	281.032607	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+DMSO+H"	79.021207
"1013411"	285.071776	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2ACN+H"	83.060376
"1535913"	286.065408	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+IsoProp+Na+H"	84.054008
"997987"	143.039526	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+2ACN+2H"	84.067652
"1595769"	286.980028	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+K+HCOOH"	84.968628
"1421427"	317.011538	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+H+CF3COOH"	115.000138
"1153903"	163.552801	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+3ACN+2H"	125.094202
"1707829"	334.038085	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+NH4+CF3COOH"	132.026685
"1639105"	338.99348	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+Na+CF3COOH"	136.98208
"1585691"	354.96742	"C04324"	"(1E3E)-4-Hydroxybuta-13-diene-124-tricarboxylate;2-Hydroxy-4-carboxyhexa-24-dienedioate;4-Carboxy-2-hydroxy-ciscis-muconate;4-Carboxy-2-hydroxyhexa-24-ciscis-dienedioate"	"C7H6O7"	"202.0114"	"M+K+CF3COOH"	152.95602
"809498"	223.0068	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M"	0
"988136"	203.98841	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-H2O-H"	-19.01839
"73463"	147.663924	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M-3H"	-3.021828
"514118"	221.999524	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M-3H"	-3.021828
"886455"	73.328324	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-3H"	-3.021828
"410"	221.999524	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M-2H"	-2.014552
"443496"	333.502924	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M-2H"	-2.014552
"820206"	110.496124	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-2H"	-2.014552
"87853"	445.006324	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M-H"	-1.007276
"524131"	668.013124	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M-H"	-1.007276
"899749"	221.999524	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-H"	-1.007276
"55217"	462.032871	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M-2H+NH4"	16.019271
"492596"	685.039671	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M-2H+NH4"	16.019271
"865172"	239.026071	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-2H+NH4"	16.019271
"36113"	466.988266	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M-2H+Na"	20.974666
"476766"	689.995066	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M-2H+Na"	20.974666
"854568"	243.981466	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-2H+Na"	20.974666
"1625195"	243.981466	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Na-2H"	20.974666
"101722"	239.987863	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M-H+Cl"	33.962126
"535692"	351.491263	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M-H+Cl"	33.962126
"929323"	128.484463	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-H+Cl"	33.962126
"268732"	480.983002	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+Cl"	34.969402
"663582"	703.989802	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+Cl"	34.969402
"1276351"	257.976202	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Cl"	34.969402
"17817"	482.962206	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M-2H+K"	36.948606
"464674"	705.969006	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M-2H+K"	36.948606
"847585"	259.955406	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-2H+K"	36.948606
"1570831"	259.955406	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+K-2H"	36.948606
"956766"	268.004994	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-H+HCOOH"	44.998194
"375959"	491.011801	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+HCOOH-H"	44.998201
"360207"	505.027451	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+Hac-H"	59.013851
"1500409"	282.020651	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Hac-H"	59.013851
"972688"	289.986951	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-H+NaCOOH"	66.980151
"123419"	257.976202	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+2Cl"	69.938804
"563345"	369.479602	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+2Cl"	69.938804
"1034698"	146.472802	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2Cl"	69.938804
"1250266"	301.925685	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Br"	78.918885
"1315999"	303.981672	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Cl+HCOOH"	80.974872
"1335544"	325.963629	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Cl+NaCOOH"	102.956829
"924190"	335.992386	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M-H+CF3COOH"	112.985586
"1300165"	371.969064	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Cl+CF3COOH"	148.962264
"1376144"	187.994124	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H-2H2O"	-35.012676
"1394369"	206.0041	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H-H2O"	-17.0027
"292960"	447.020876	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+H"	1.007276
"688664"	670.027676	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+H"	1.007276
"1363920"	224.014076	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H"	1.007276
"139362"	224.014076	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+2H"	2.014552
"573451"	335.517476	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+2H"	2.014552
"1048083"	112.510676	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2H"	2.014552
"215257"	149.678476	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+3H"	3.021828
"654088"	224.014076	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+3H"	3.021828
"1175130"	75.342876	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+3H"	3.021828
"438039"	464.047423	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+NH4"	18.033823
"795388"	687.054223	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+NH4"	18.033823
"1687343"	241.040623	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+NH4"	18.033823
"332709"	232.5273495	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+H+NH4"	19.041099
"725858"	344.0307495	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+H+NH4"	19.041099
"1478585"	121.0239495	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H+NH4"	19.041099
"397265"	469.002818	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+Na"	22.989218
"757167"	692.009618	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+Na"	22.989218
"1615113"	245.996018	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Na"	22.989218
"329281"	235.005047	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+H+Na"	23.996494
"722191"	346.508447	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+H+Na"	23.996494
"1472486"	123.501647	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H+Na"	23.996494
"1065734"	82.67019	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2H+Na"	25.00377
"1267411"	256.040286	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+CH3OH+H"	33.033486
"387080"	484.976758	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+K"	38.963158
"744792"	707.983558	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+K"	38.963158
"1543567"	261.969958	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+K"	38.963158
"300741"	242.992017	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+H+K"	39.970434
"697537"	354.495417	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+H+K"	39.970434
"1449532"	131.488617	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H+K"	39.970434
"239228"	488.047426	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+ACN+H"	42.033826
"1214854"	265.040626	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+ACN+H"	42.033826
"1199828"	133.023951	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+ACN+2H"	43.041102
"191604"	490.98476	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+2Na-H"	44.97116
"631530"	713.99156	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+2Na-H"	44.97116
"1134675"	267.97796	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2Na-H"	44.97116
"174806"	245.996018	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+2Na"	45.978436
"625917"	357.499418	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+2Na"	45.978436
"1125415"	134.492618	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2Na"	45.978436
"1410032"	89.997504	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H+2Na"	46.985712
"1442513"	270.019546	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H+HCOOH"	47.012746
"230748"	251.02904	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+3H2O+2H"	56.04448
"1517718"	284.07159	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+IsoProp+H"	61.06479
"418498"	253.982988	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+Na+K"	61.952376
"780587"	365.486388	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+Na+K"	61.952376
"1670719"	142.479588	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Na+K"	61.952376
"259066"	510.029368	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+ACN+Na"	64.015768
"1239065"	287.022568	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+ACN+Na"	64.015768
"1721756"	287.046093	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+NH4+HCOOH"	64.039293
"1193434"	97.324818	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+3Na"	68.967654
"1660282"	292.001488	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Na+HCOOH"	68.994688
"164225"	522.93264	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+2K-H"	76.91904
"603420"	745.93944	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+2K-H"	76.91904
"1087934"	299.92584	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2K-H"	76.91904
"145845"	261.969958	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"2M+2K"	77.926316
"584312"	373.473358	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"3M+2K"	77.926316
"1072105"	150.466558	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2K"	77.926316
"1104223"	301.940392	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2K+H"	78.933592
"1343894"	302.028007	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+DMSO+H"	79.021207
"1015708"	306.067176	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2ACN+H"	83.060376
"1537116"	307.060808	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+IsoProp+Na+H"	84.054008
"1004656"	153.537226	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+2ACN+2H"	84.067652
"1596971"	307.975428	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+K+HCOOH"	84.968628
"1423723"	338.006938	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+H+CF3COOH"	115.000138
"1155107"	174.050501	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+3ACN+2H"	125.094202
"1704658"	355.033485	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+NH4+CF3COOH"	132.026685
"1641402"	359.98888	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+Na+CF3COOH"	136.98208
"1585801"	375.96282	"C04327"	"4-Methyl-5-(2-phosphooxyethyl)thiazole;4-Methyl-5-(2-phosphonooxyethyl)thiazole;5-(2-Hydroxyethyl)-4-methylthiazole phosphate"	"C6H10NO4PS"	"223.0068"	"M+K+CF3COOH"	152.95602
"815076"	787.2551	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M"	0
"988610"	768.23671	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-H2O-H"	-19.01839
"77218"	523.829457333333	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M-3H"	-3.021828
"516414"	786.247824	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M-3H"	-3.021828
"888752"	261.411090666667	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-3H"	-3.021828
"8420"	786.247824	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M-2H"	-2.014552
"449074"	1179.875374	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M-2H"	-2.014552
"832101"	392.620274	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-2H"	-2.014552
"92334"	1573.502924	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M-H"	-1.007276
"529714"	2360.758024	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M-H"	-1.007276
"902047"	786.247824	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-H"	-1.007276
"56428"	1590.529471	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M-2H+NH4"	16.019271
"495987"	2377.784571	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M-2H+NH4"	16.019271
"873791"	803.274371	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-2H+NH4"	16.019271
"36224"	1595.484866	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M-2H+Na"	20.974666
"476876"	2382.739966	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M-2H+Na"	20.974666
"857958"	808.229766	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-2H+Na"	20.974666
"1622023"	808.229766	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Na-2H"	20.974666
"104022"	804.236163	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M-H+Cl"	33.962126
"539207"	1197.863713	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M-H+Cl"	33.962126
"930533"	410.608613	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-H+Cl"	33.962126
"268114"	1609.479602	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+Cl"	34.969402
"661873"	2396.734702	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+Cl"	34.969402
"1279388"	822.224502	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Cl"	34.969402
"20850"	1611.458806	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M-2H+K"	36.948606
"466972"	2398.713906	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M-2H+K"	36.948606
"848411"	824.203706	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-2H+K"	36.948606
"1571280"	824.203706	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+K-2H"	36.948606
"958390"	832.253294	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-H+HCOOH"	44.998194
"377048"	1619.508401	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+HCOOH-H"	44.998201
"358251"	1633.524051	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+Hac-H"	59.013851
"1505262"	846.268951	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Hac-H"	59.013851
"969154"	854.235251	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-H+NaCOOH"	66.980151
"122433"	822.224502	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+2Cl"	69.938804
"559808"	1215.852052	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+2Cl"	69.938804
"1033716"	428.596952	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2Cl"	69.938804
"1255368"	866.173985	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Br"	78.918885
"1317933"	868.229972	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Cl+HCOOH"	80.974872
"1334707"	890.211929	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Cl+NaCOOH"	102.956829
"923205"	900.240686	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M-H+CF3COOH"	112.985586
"1301369"	936.217364	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Cl+CF3COOH"	148.962264
"1378805"	752.242424	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H-2H2O"	-35.012676
"1392655"	770.2524	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H-H2O"	-17.0027
"293436"	1575.517476	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+H"	1.007276
"687682"	2362.772576	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+H"	1.007276
"1363302"	788.262376	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H"	1.007276
"138378"	788.262376	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+2H"	2.014552
"578667"	1181.889926	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+2H"	2.014552
"1044551"	394.634826	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2H"	2.014552
"212449"	525.844009333333	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+3H"	3.021828
"654198"	788.262376	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+3H"	3.021828
"1167949"	263.425642666667	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+3H"	3.021828
"432315"	1592.544023	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+NH4"	18.033823
"795862"	2379.799123	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+NH4"	18.033823
"1682838"	805.288923	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+NH4"	18.033823
"332453"	796.7756495	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+H+NH4"	19.041099
"727062"	1190.4031995	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+H+NH4"	19.041099
"1479422"	403.1480995	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H+NH4"	19.041099
"400658"	1597.499418	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+Na"	22.989218
"763846"	2384.754518	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+Na"	22.989218
"1616318"	810.244318	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Na"	22.989218
"327449"	799.253347	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+H+Na"	23.996494
"721936"	1192.880897	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+H+Na"	23.996494
"1470412"	405.625797	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H+Na"	23.996494
"1062562"	270.752956666667	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2H+Na"	25.00377
"1267519"	820.288586	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+CH3OH+H"	33.033486
"385000"	1613.473358	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+K"	38.963158
"744901"	2400.728458	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+K"	38.963158
"1544404"	826.218258	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+K"	38.963158
"301944"	807.240317	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+H+K"	39.970434
"693634"	1200.867867	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+H+K"	39.970434
"1451464"	413.612767	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H+K"	39.970434
"241161"	1616.544026	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+ACN+H"	42.033826
"1212409"	829.288926	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+ACN+H"	42.033826
"1197023"	415.148101	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+ACN+2H"	43.041102
"192079"	1619.48136	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+2Na-H"	44.97116
"634564"	2406.73646	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+2Na-H"	44.97116
"1135884"	832.22626	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2Na-H"	44.97116
"178080"	810.244318	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+2Na"	45.978436
"620921"	1203.871868	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+2Na"	45.978436
"1121148"	416.616768	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2Na"	45.978436
"1411601"	278.080270666667	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H+2Na"	46.985712
"1442990"	834.267846	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H+HCOOH"	47.012746
"234140"	815.27734	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+3H2O+2H"	56.04448
"1517828"	848.31989	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+IsoProp+H"	61.06479
"418608"	818.231288	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+Na+K"	61.952376
"781790"	1211.858838	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+Na+K"	61.952376
"1677031"	424.603738	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Na+K"	61.952376
"265374"	1638.525968	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+ACN+Na"	64.015768
"1239541"	851.270868	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+ACN+Na"	64.015768
"1727578"	851.294393	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+NH4+HCOOH"	64.039293
"1193784"	285.407584666667	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+3Na"	68.967654
"1656018"	856.249788	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Na+HCOOH"	68.994688
"163971"	1651.42924	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+2K-H"	76.91904
"604626"	2438.68434	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+2K-H"	76.91904
"1090231"	864.17414	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2K-H"	76.91904
"145954"	826.218258	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"2M+2K"	77.926316
"586609"	1219.845808	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"3M+2K"	77.926316
"1075502"	432.590708	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2K"	77.926316
"1108715"	866.188692	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2K+H"	78.933592
"1350085"	866.276307	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+DMSO+H"	79.021207
"1015819"	870.315476	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2ACN+H"	83.060376
"1531758"	871.309108	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+IsoProp+Na+H"	84.054008
"1001486"	435.661376	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+2ACN+2H"	84.067652
"1600362"	872.223728	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+K+HCOOH"	84.968628
"1423833"	902.255238	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+H+CF3COOH"	115.000138
"1156309"	456.174651	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+3ACN+2H"	125.094202
"1701486"	919.281785	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+NH4+CF3COOH"	132.026685
"1638230"	924.23718	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+Na+CF3COOH"	136.98208
"1585915"	940.21112	"C04330"	"510-Methenyltetrahydromethanopterin;510-Methenyl-5678-tetrahydromethanopterin;N5N10-Methenyltetrahydromethanopterin"	"C31H44N6O16P"	"787.2551"	"M+K+CF3COOH"	152.95602
"806438"	326.1226	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M"	0
"987629"	307.10421	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-H2O-H"	-19.01839
"74779"	216.407790666667	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M-3H"	-3.021828
"509967"	325.115324	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M-3H"	-3.021828
"889954"	107.700257333333	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-3H"	-3.021828
"5249"	325.115324	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M-2H"	-2.014552
"445904"	488.176624	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M-2H"	-2.014552
"823706"	162.054024	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-2H"	-2.014552
"89164"	651.237924	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M-H"	-1.007276
"533104"	977.360524	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M-H"	-1.007276
"904344"	325.115324	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-H"	-1.007276
"55444"	668.264471	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M-2H+NH4"	16.019271
"497190"	994.387071	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M-2H+NH4"	16.019271
"871714"	342.141871	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-2H+NH4"	16.019271
"37426"	673.219866	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M-2H+Na"	20.974666
"476986"	999.342466	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M-2H+Na"	20.974666
"855882"	347.097266	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-2H+Na"	20.974666
"1628694"	347.097266	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Na-2H"	20.974666
"100850"	343.103663	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M-H+Cl"	33.962126
"540410"	506.164963	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M-H+Cl"	33.962126
"930643"	180.042363	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-H+Cl"	33.962126
"269563"	687.214602	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+Cl"	34.969402
"660524"	1013.337202	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+Cl"	34.969402
"1277306"	361.092002	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Cl"	34.969402
"22053"	689.193806	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M-2H+K"	36.948606
"465989"	1015.316406	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M-2H+K"	36.948606
"848134"	363.071206	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-2H+K"	36.948606
"1570978"	363.071206	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+K-2H"	36.948606
"957642"	371.120794	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-H+HCOOH"	44.998194
"377043"	697.243401	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+HCOOH-H"	44.998201
"359090"	711.259051	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+Hac-H"	59.013851
"1508252"	385.136451	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Hac-H"	59.013851
"969265"	393.102751	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-H+NaCOOH"	66.980151
"121451"	361.092002	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+2Cl"	69.938804
"557732"	524.153302	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+2Cl"	69.938804
"1032002"	198.030702	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2Cl"	69.938804
"1255965"	405.041485	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Br"	78.918885
"1319014"	407.097472	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Cl+HCOOH"	80.974872
"1335415"	429.079429	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Cl+NaCOOH"	102.956829
"925502"	439.108186	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M-H+CF3COOH"	112.985586
"1298200"	475.084864	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Cl+CF3COOH"	148.962264
"1377093"	291.109924	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H-2H2O"	-35.012676
"1391673"	309.1199	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H-H2O"	-17.0027
"297193"	653.252476	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+H"	1.007276
"690997"	979.375076	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+H"	1.007276
"1365236"	327.129876	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H"	1.007276
"138852"	327.129876	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+2H"	2.014552
"579870"	490.191176	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+2H"	2.014552
"1047578"	164.068576	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2H"	2.014552
"212561"	218.422342666667	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+3H"	3.021828
"656496"	327.129876	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+3H"	3.021828
"1169152"	109.714809333333	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+3H"	3.021828
"432425"	670.279023	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+NH4"	18.033823
"795245"	996.401623	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+NH4"	18.033823
"1681733"	344.156423	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+NH4"	18.033823
"331469"	335.6431495	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+H+NH4"	19.041099
"724984"	498.7044495	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+H+NH4"	19.041099
"1478440"	172.5818495	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H+NH4"	19.041099
"400768"	675.234418	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+Na"	22.989218
"763956"	1001.357018	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+Na"	22.989218
"1613148"	349.111818	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Na"	22.989218
"327559"	338.120847	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+H+Na"	23.996494
"721075"	501.182147	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+H+Na"	23.996494
"1469428"	175.059547	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H+Na"	23.996494
"1065952"	117.042123333333	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2H+Na"	25.00377
"1264350"	359.156086	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+CH3OH+H"	33.033486
"380008"	691.208358	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+K"	38.963158
"743190"	1017.330958	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+K"	38.963158
"1542325"	365.085758	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+K"	38.963158
"301324"	346.107817	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+H+K"	39.970434
"692651"	509.169117	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+H+K"	39.970434
"1446836"	183.046517	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H+K"	39.970434
"237992"	694.279026	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+ACN+H"	42.033826
"1211545"	368.156426	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+ACN+H"	42.033826
"1195305"	184.581851	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+ACN+2H"	43.041102
"192190"	697.21636	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+2Na-H"	44.97116
"630665"	1023.33896	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+2Na-H"	44.97116
"1134902"	371.09376	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2Na-H"	44.97116
"180379"	349.111818	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+2Na"	45.978436
"618845"	512.173118	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+2Na"	45.978436
"1126726"	186.050518	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2Na"	45.978436
"1411711"	124.369437333333	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H+2Na"	46.985712
"1444191"	373.135346	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H+HCOOH"	47.012746
"233157"	354.14484	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+3H2O+2H"	56.04448
"1520125"	387.18739	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+IsoProp+H"	61.06479
"424027"	357.098788	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+Na+K"	61.952376
"780807"	520.160088	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+Na+K"	61.952376
"1678234"	194.037488	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Na+K"	61.952376
"265120"	716.260968	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+ACN+Na"	64.015768
"1239652"	390.138368	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+ACN+Na"	64.015768
"1723070"	390.161893	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+NH4+HCOOH"	64.039293
"1192797"	131.696751333333	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+3Na"	68.967654
"1662689"	395.117288	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Na+HCOOH"	68.994688
"165174"	729.16424	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+2K-H"	76.91904
"606924"	1055.28684	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+2K-H"	76.91904
"1091434"	403.04164	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2K-H"	76.91904
"145700"	365.085758	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"2M+2K"	77.926316
"584533"	528.147058	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"3M+2K"	77.926316
"1074518"	202.024458	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2K"	77.926316
"1111011"	405.056192	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2K+H"	78.933592
"1349587"	405.143807	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+DMSO+H"	79.021207
"1015930"	409.182976	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2ACN+H"	83.060376
"1535149"	410.176608	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+IsoProp+Na+H"	84.054008
"1001596"	205.095126	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+2ACN+2H"	84.067652
"1600472"	411.091228	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+K+HCOOH"	84.968628
"1421756"	441.122738	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+H+CF3COOH"	115.000138
"1152046"	225.608401	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+3ACN+2H"	125.094202
"1703783"	458.149285	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+NH4+CF3COOH"	132.026685
"1642714"	463.10468	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+Na+CF3COOH"	136.98208
"1586025"	479.07862	"C04332"	"67-Dimethyl-8-(D-ribityl)lumazine"	"C13H18N4O6"	"326.1226"	"M+K+CF3COOH"	152.95602
"806548"	324.1056	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M"	0
"985553"	305.08721	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-H2O-H"	-19.01839
"71609"	215.063124	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M-3H"	-3.021828
"507890"	323.098324	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M-3H"	-3.021828
"884597"	107.027924	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-3H"	-3.021828
"3173"	323.098324	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M-2H"	-2.014552
"443828"	485.151124	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M-2H"	-2.014552
"827097"	161.045524	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-2H"	-2.014552
"91340"	647.203924	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M-H"	-1.007276
"532122"	971.309524	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M-H"	-1.007276
"905547"	323.098324	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-H"	-1.007276
"55547"	664.230471	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M-2H+NH4"	16.019271
"494020"	988.336071	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M-2H+NH4"	16.019271
"870731"	340.124871	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-2H+NH4"	16.019271
"35349"	669.185866	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M-2H+Na"	20.974666
"477096"	993.291466	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M-2H+Na"	20.974666
"855992"	345.080266	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-2H+Na"	20.974666
"1626617"	345.080266	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Na-2H"	20.974666
"102053"	341.086663	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M-H+Cl"	33.962126
"540520"	503.139463	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M-H+Cl"	33.962126
"928566"	179.033863	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-H+Cl"	33.962126
"269309"	683.180602	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+Cl"	34.969402
"660184"	1007.286202	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+Cl"	34.969402
"1277416"	359.075002	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Cl"	34.969402
"24349"	685.159806	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M-2H+K"	36.948606
"467192"	1009.265406	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M-2H+K"	36.948606
"848432"	361.054206	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-2H+K"	36.948606
"1570919"	361.054206	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+K-2H"	36.948606
"957710"	369.103794	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-H+HCOOH"	44.998194
"376658"	693.209401	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+HCOOH-H"	44.998201
"360903"	707.225051	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+Hac-H"	59.013851
"1506939"	383.119451	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Hac-H"	59.013851
"969375"	391.085751	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-H+NaCOOH"	66.980151
"119374"	359.075002	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+2Cl"	69.938804
"560028"	521.127802	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+2Cl"	69.938804
"1032105"	197.022202	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2Cl"	69.938804
"1248769"	403.024485	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Br"	78.918885
"1316325"	405.080472	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Cl+HCOOH"	80.974872
"1326168"	427.062429	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Cl+NaCOOH"	102.956829
"923424"	437.091186	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M-H+CF3COOH"	112.985586
"1299403"	473.067864	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Cl+CF3COOH"	148.962264
"1376469"	289.092924	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H-2H2O"	-35.012676
"1387405"	307.1029	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H-H2O"	-17.0027
"291470"	649.218476	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+H"	1.007276
"688631"	973.324076	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+H"	1.007276
"1363886"	325.112876	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H"	1.007276
"140059"	325.112876	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+2H"	2.014552
"579980"	487.165676	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+2H"	2.014552
"1049875"	163.060076	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2H"	2.014552
"213765"	217.077676	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+3H"	3.021828
"654420"	325.112876	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+3H"	3.021828
"1169262"	109.042476	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+3H"	3.021828
"433628"	666.245023	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+NH4"	18.033823
"796449"	990.350623	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+NH4"	18.033823
"1682331"	342.139423	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+NH4"	18.033823
"332674"	333.6261495	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+H+NH4"	19.041099
"724730"	495.6789495	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+H+NH4"	19.041099
"1482195"	171.5733495	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H+NH4"	19.041099
"398691"	671.200418	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+Na"	22.989218
"764066"	995.306018	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+Na"	22.989218
"1613258"	347.094818	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Na"	22.989218
"326576"	336.103847	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+H+Na"	23.996494
"717904"	498.156647	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+H+Na"	23.996494
"1470631"	174.051047	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H+Na"	23.996494
"1056950"	116.36979	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2H+Na"	25.00377
"1262638"	357.139086	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+CH3OH+H"	33.033486
"382306"	687.174358	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+K"	38.963158
"746217"	1011.279958	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+K"	38.963158
"1542800"	363.068758	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+K"	38.963158
"301435"	344.090817	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+H+K"	39.970434
"696774"	506.143617	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+H+K"	39.970434
"1450594"	182.038017	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H+K"	39.970434
"236192"	690.245026	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+ACN+H"	42.033826
"1211291"	366.139426	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+ACN+H"	42.033826
"1195778"	183.573351	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+ACN+2H"	43.041102
"195216"	693.18236	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+2Na-H"	44.97116
"631505"	1017.28796	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+2Na-H"	44.97116
"1137198"	369.07676	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2Na-H"	44.97116
"180490"	347.094818	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+2Na"	45.978436
"625156"	509.147618	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+2Na"	45.978436
"1128662"	185.042018	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2Na"	45.978436
"1409999"	123.697104	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H+2Na"	46.985712
"1439199"	371.118346	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H+HCOOH"	47.012746
"227802"	352.12784	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+3H2O+2H"	56.04448
"1520238"	385.17039	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+IsoProp+H"	61.06479
"421017"	355.081788	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+Na+K"	61.952376
"783105"	517.134588	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+Na+K"	61.952376
"1679439"	193.028988	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Na+K"	61.952376
"263773"	712.226968	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+ACN+Na"	64.015768
"1240127"	388.121368	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+ACN+Na"	64.015768
"1725366"	388.144893	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+NH4+HCOOH"	64.039293
"1189625"	131.024418	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+3Na"	68.967654
"1660611"	393.100288	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Na+HCOOH"	68.994688
"167471"	725.13024	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+2K-H"	76.91904
"604847"	1049.23584	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+2K-H"	76.91904
"1088266"	401.02464	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2K-H"	76.91904
"145445"	363.068758	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"2M+2K"	77.926316
"584277"	525.121558	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"3M+2K"	77.926316
"1073535"	201.015958	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2K"	77.926316
"1110028"	403.039192	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2K+H"	78.933592
"1349697"	403.126807	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+DMSO+H"	79.021207
"1018227"	407.165976	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2ACN+H"	83.060376
"1536352"	408.159608	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+IsoProp+Na+H"	84.054008
"1002800"	204.086626	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+2ACN+2H"	84.067652
"1597302"	409.074228	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+K+HCOOH"	84.968628
"1418588"	439.105738	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+H+CF3COOH"	115.000138
"1154343"	224.599901	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+3ACN+2H"	125.094202
"1704987"	456.132285	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+NH4+CF3COOH"	132.026685
"1642824"	461.08768	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+Na+CF3COOH"	136.98208
"1573010"	477.06162	"C04333"	"Bis-D-fructose 21:21-dianhydride;Difructose anhydride I;Di-D-fructose 12; 21 dianhydride"	"C12H20O10"	"324.1056"	"M+K+CF3COOH"	152.95602
"806659"	265.1314	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M"	0
"985660"	246.11301	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-H2O-H"	-19.01839
"72813"	175.746990666667	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M-3H"	-3.021828
"509092"	264.124124	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M-3H"	-3.021828
"880698"	87.3698573333333	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-3H"	-3.021828
"5469"	264.124124	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M-2H"	-2.014552
"446124"	396.689824	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M-2H"	-2.014552
"829393"	131.558424	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-2H"	-2.014552
"89390"	529.255524	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M-H"	-1.007276
"530043"	794.386924	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M-H"	-1.007276
"904565"	264.124124	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-H"	-1.007276
"50197"	546.282071	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M-2H+NH4"	16.019271
"490853"	811.413471	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M-2H+NH4"	16.019271
"875216"	281.150671	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-2H+NH4"	16.019271
"35459"	551.237466	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M-2H+Na"	20.974666
"476113"	816.368866	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M-2H+Na"	20.974666
"857195"	286.106066	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-2H+Na"	20.974666
"1628192"	286.106066	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Na-2H"	20.974666
"101073"	282.112463	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M-H+Cl"	33.962126
"537350"	414.678163	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M-H+Cl"	33.962126
"927704"	149.546763	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-H+Cl"	33.962126
"269420"	565.232202	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+Cl"	34.969402
"671322"	830.363602	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+Cl"	34.969402
"1278622"	300.100802	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Cl"	34.969402
"27740"	567.211406	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M-2H+K"	36.948606
"469124"	832.342806	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M-2H+K"	36.948606
"847909"	302.080006	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-2H+K"	36.948606
"1567507"	302.080006	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+K-2H"	36.948606
"956849"	310.129594	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-H+HCOOH"	44.998194
"375428"	575.261001	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+HCOOH-H"	44.998201
"359676"	589.276651	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+Hac-H"	59.013851
"1504498"	324.145251	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Hac-H"	59.013851
"969121"	332.111551	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-H+NaCOOH"	66.980151
"121675"	300.100802	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+2Cl"	69.938804
"556861"	432.666502	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+2Cl"	69.938804
"1034410"	167.535102	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2Cl"	69.938804
"1254722"	344.050285	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Br"	78.918885
"1317531"	346.106272	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Cl+HCOOH"	80.974872
"1329558"	368.088229	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Cl+NaCOOH"	102.956829
"924262"	378.116986	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M-H+CF3COOH"	112.985586
"1300972"	414.093664	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Cl+CF3COOH"	148.962264
"1379135"	230.118724	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H-2H2O"	-35.012676
"1390799"	248.1287	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H-H2O"	-17.0027
"290483"	531.270076	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+H"	1.007276
"682908"	796.401476	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+H"	1.007276
"1364360"	266.138676	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H"	1.007276
"140048"	266.138676	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+2H"	2.014552
"579000"	398.704376	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+2H"	2.014552
"1045975"	133.572976	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2H"	2.014552
"217156"	177.761542666667	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+3H"	3.021828
"655623"	266.138676	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+3H"	3.021828
"1175571"	89.3844093333333	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+3H"	3.021828
"435563"	548.296623	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+NH4"	18.033823
"791459"	813.428023	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+NH4"	18.033823
"1681835"	283.165223	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+NH4"	18.033823
"333877"	274.6519495	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+H+NH4"	19.041099
"727392"	407.2176495	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+H+NH4"	19.041099
"1487778"	142.0862495	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H+NH4"	19.041099
"396623"	553.252018	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+Na"	22.989218
"761992"	818.383418	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+Na"	22.989218
"1612279"	288.120618	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Na"	22.989218
"319034"	277.129647	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+H+Na"	23.996494
"716921"	409.695347	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+H+Na"	23.996494
"1468555"	144.563947	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H+Na"	23.996494
"1059613"	96.7117233333333	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2H+Na"	25.00377
"1266760"	298.164886	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+CH3OH+H"	33.033486
"386427"	569.225958	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+K"	38.963158
"743410"	834.357358	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+K"	38.963158
"1544004"	304.094558	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+K"	38.963158
"303369"	285.116617	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+H+K"	39.970434
"697977"	417.682317	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+H+K"	39.970434
"1452891"	152.550917	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H+K"	39.970434
"240399"	572.296626	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+ACN+H"	42.033826
"1213103"	307.165226	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+ACN+H"	42.033826
"1197350"	154.086251	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+ACN+2H"	43.041102
"191688"	575.23396	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+2Na-H"	44.97116
"634896"	840.36536	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+2Na-H"	44.97116
"1135121"	310.10256	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2Na-H"	44.97116
"175131"	288.120618	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+2Na"	45.978436
"625266"	420.686318	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+2Na"	45.978436
"1125857"	155.554918	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2Na"	45.978436
"1409747"	104.039037333333	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H+2Na"	46.985712
"1441496"	312.144146	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H+HCOOH"	47.012746
"229004"	293.15364	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+3H2O+2H"	56.04448
"1522537"	326.19619	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+IsoProp+H"	61.06479
"422951"	296.107588	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+Na+K"	61.952376
"781031"	428.673288	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+Na+K"	61.952376
"1680278"	163.541888	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Na+K"	61.952376
"259507"	594.278568	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+ACN+Na"	64.015768
"1236591"	329.147168	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+ACN+Na"	64.015768
"1723654"	329.170693	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+NH4+HCOOH"	64.039293
"1187550"	111.366351333333	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+3Na"	68.967654
"1659628"	334.126088	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Na+HCOOH"	68.994688
"166489"	607.18184	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+2K-H"	76.91904
"602771"	872.31324	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+2K-H"	76.91904
"1090564"	342.05044	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2K-H"	76.91904
"146649"	304.094558	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"2M+2K"	77.926316
"588033"	436.660258	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"3M+2K"	77.926316
"1078021"	171.528858	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2K"	77.926316
"1112332"	344.064992	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2K+H"	78.933592
"1345434"	344.152607	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+DMSO+H"	79.021207
"1018338"	348.191776	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2ACN+H"	83.060376
"1533182"	349.185408	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+IsoProp+Na+H"	84.054008
"1002910"	174.599526	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+2ACN+2H"	84.067652
"1595225"	350.100028	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+K+HCOOH"	84.968628
"1419792"	380.131538	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+H+CF3COOH"	115.000138
"1153360"	195.112801	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+3ACN+2H"	125.094202
"1697442"	397.158085	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+NH4+CF3COOH"	132.026685
"1638565"	402.11348	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+Na+CF3COOH"	136.98208
"1576405"	418.08742	"C04335"	"N(alpha)-Benzyloxycarbonyl-L-leucine"	"C14H19NO4"	"265.1314"	"M+K+CF3COOH"	152.95602
"806769"	317.0512	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M"	0
"982489"	298.03281	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-H2O-H"	-19.01839
"70736"	210.360190666667	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M-3H"	-3.021828
"509202"	316.043924	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M-3H"	-3.021828
"880805"	104.676457333333	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-3H"	-3.021828
"7766"	316.043924	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M-2H"	-2.014552
"445140"	474.569524	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M-2H"	-2.014552
"827317"	157.518324	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-2H"	-2.014552
"89500"	633.095124	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M-H"	-1.007276
"530153"	950.146324	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M-H"	-1.007276
"905768"	316.043924	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-H"	-1.007276
"55774"	650.121671	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M-2H+NH4"	16.019271
"498616"	967.172871	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M-2H+NH4"	16.019271
"874231"	333.070471	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-2H+NH4"	16.019271
"33383"	655.077066	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M-2H+Na"	20.974666
"475130"	972.128266	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M-2H+Na"	20.974666
"855119"	338.025866	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-2H+Na"	20.974666
"1627573"	338.025866	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Na-2H"	20.974666
"102276"	334.032263	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M-H+Cl"	33.962126
"538553"	492.557863	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M-H+Cl"	33.962126
"928056"	175.506663	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-H+Cl"	33.962126
"270623"	669.071802	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+Cl"	34.969402
"671796"	986.123002	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+Cl"	34.969402
"1275451"	352.020602	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Cl"	34.969402
"28579"	671.051006	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M-2H+K"	36.948606
"469599"	988.102206	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M-2H+K"	36.948606
"847171"	353.999806	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-2H+K"	36.948606
"1567617"	353.999806	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+K-2H"	36.948606
"954771"	362.049394	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-H+HCOOH"	44.998194
"376030"	679.100601	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+HCOOH-H"	44.998201
"359791"	693.116251	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+Hac-H"	59.013851
"1502784"	376.065051	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Hac-H"	59.013851
"969595"	384.031351	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-H+NaCOOH"	66.980151
"121056"	352.020602	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+2Cl"	69.938804
"558064"	510.546202	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+2Cl"	69.938804
"1033427"	193.495002	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2Cl"	69.938804
"1255682"	395.970085	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Br"	78.918885
"1318005"	398.026072	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Cl+HCOOH"	80.974872
"1329668"	420.008029	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Cl+NaCOOH"	102.956829
"924736"	430.036786	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M-H+CF3COOH"	112.985586
"1301810"	466.013464	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Cl+CF3COOH"	148.962264
"1381066"	282.038524	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H-2H2O"	-35.012676
"1390908"	300.0485	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H-H2O"	-17.0027
"290229"	635.109676	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+H"	1.007276
"678641"	952.160876	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+H"	1.007276
"1359365"	318.058476	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H"	1.007276
"139911"	318.058476	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+2H"	2.014552
"577288"	476.584076	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+2H"	2.014552
"1046085"	159.532876	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2H"	2.014552
"216173"	212.374742666667	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+3H"	3.021828
"653546"	318.058476	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+3H"	3.021828
"1171306"	106.691009333333	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+3H"	3.021828
"433850"	652.136223	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+NH4"	18.033823
"794849"	969.187423	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+NH4"	18.033823
"1685712"	335.085023	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+NH4"	18.033823
"332893"	326.5717495	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+H+NH4"	19.041099
"727502"	485.0973495	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+H+NH4"	19.041099
"1485700"	168.0461495	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H+NH4"	19.041099
"398920"	657.091618	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+Na"	22.989218
"761009"	974.142818	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+Na"	22.989218
"1613482"	340.040418	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Na"	22.989218
"322424"	329.049447	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+H+Na"	23.996494
"720311"	487.575047	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+H+Na"	23.996494
"1471945"	170.523847	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H+Na"	23.996494
"1061910"	114.018323333333	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2H+Na"	25.00377
"1269056"	350.084686	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+CH3OH+H"	33.033486
"386537"	673.065558	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+K"	38.963158
"742062"	990.116758	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+K"	38.963158
"1544115"	356.014358	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+K"	38.963158
"303479"	337.036417	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+H+K"	39.970434
"692982"	495.562017	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+H+K"	39.970434
"1451907"	178.510817	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H+K"	39.970434
"239778"	676.136226	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+ACN+H"	42.033826
"1212847"	359.085026	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+ACN+H"	42.033826
"1197459"	180.046151	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+ACN+2H"	43.041102
"193257"	679.07356	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+2Na-H"	44.97116
"633913"	996.12476	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+2Na-H"	44.97116
"1133043"	362.02236	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2Na-H"	44.97116
"176334"	340.040418	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+2Na"	45.978436
"625010"	498.566018	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+2Na"	45.978436
"1121955"	181.514818	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2Na"	45.978436
"1407303"	121.345637333333	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H+2Na"	46.985712
"1438324"	364.063946	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H+HCOOH"	47.012746
"230207"	345.07344	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+3H2O+2H"	56.04448
"1522282"	378.11599	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+IsoProp+H"	61.06479
"419414"	348.027388	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+Na+K"	61.952376
"778587"	506.552988	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+Na+K"	61.952376
"1674555"	189.501788	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Na+K"	61.952376
"259253"	698.118168	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+ACN+Na"	64.015768
"1237067"	381.066968	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+ACN+Na"	64.015768
"1722307"	381.090493	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+NH4+HCOOH"	64.039293
"1187296"	128.672951333333	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+3Na"	68.967654
"1660831"	386.045888	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Na+HCOOH"	68.994688
"164414"	711.02144	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+2K-H"	76.91904
"601422"	1028.07264	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+2K-H"	76.91904
"1088487"	393.97024	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2K-H"	76.91904
"147488"	356.014358	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"2M+2K"	77.926316
"589236"	514.539958	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"3M+2K"	77.926316
"1073754"	197.488758	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2K"	77.926316
"1110621"	395.984792	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2K+H"	78.933592
"1346637"	396.072407	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+DMSO+H"	79.021207
"1015168"	400.111576	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2ACN+H"	83.060376
"1536573"	401.105208	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+IsoProp+Na+H"	84.054008
"1001928"	200.559426	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+2ACN+2H"	84.067652
"1596429"	402.019828	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+K+HCOOH"	84.968628
"1420995"	432.051338	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+H+CF3COOH"	115.000138
"1150189"	221.072701	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+3ACN+2H"	125.094202
"1697189"	449.077885	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+NH4+CF3COOH"	132.026685
"1638675"	454.03328	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+Na+CF3COOH"	136.98208
"1576515"	470.00722	"C04336"	"N-Glycolyl-D-mannosamine 6-phosphate"	"C8H16NO10P"	"317.0512"	"M+K+CF3COOH"	152.95602
"806879"	233.1124	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M"	0
"982599"	214.09401	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-H2O-H"	-19.01839
"73033"	154.400990666667	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M-3H"	-3.021828
"508219"	232.105124	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M-3H"	-3.021828
"880918"	76.6968573333333	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-3H"	-3.021828
"10063"	232.105124	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M-2H"	-2.014552
"443064"	348.661324	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M-2H"	-2.014552
"825240"	115.548924	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-2H"	-2.014552
"84142"	465.217524	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M-H"	-1.007276
"530263"	698.329924	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M-H"	-1.007276
"899317"	232.105124	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-H"	-1.007276
"53698"	482.244071	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M-2H+NH4"	16.019271
"491073"	715.356471	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M-2H+NH4"	16.019271
"869968"	249.131671	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-2H+NH4"	16.019271
"40055"	487.199466	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M-2H+Na"	20.974666
"480708"	720.311866	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M-2H+Na"	20.974666
"856322"	254.087066	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-2H+Na"	20.974666
"1624764"	254.087066	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Na-2H"	20.974666
"100198"	250.093463	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M-H+Cl"	33.962126
"539756"	366.649663	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M-H+Cl"	33.962126
"929990"	133.537263	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-H+Cl"	33.962126
"268667"	501.194202	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+Cl"	34.969402
"671906"	734.306602	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+Cl"	34.969402
"1277748"	268.081802	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Cl"	34.969402
"30733"	503.173406	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M-2H+K"	36.948606
"470808"	736.285806	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M-2H+K"	36.948606
"848128"	270.061006	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-2H+K"	36.948606
"1569186"	270.061006	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+K-2H"	36.948606
"957071"	278.110594	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-H+HCOOH"	44.998194
"376381"	511.223001	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+HCOOH-H"	44.998201
"360263"	525.238651	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+Hac-H"	59.013851
"1503989"	292.126251	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Hac-H"	59.013851
"969341"	300.092551	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-H+NaCOOH"	66.980151
"120802"	268.081802	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+2Cl"	69.938804
"558174"	384.638002	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+2Cl"	69.938804
"1032442"	151.525602	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2Cl"	69.938804
"1254937"	312.031285	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Br"	78.918885
"1318479"	314.087272	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Cl+HCOOH"	80.974872
"1328685"	336.069229	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Cl+NaCOOH"	102.956829
"923753"	346.097986	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M-H+CF3COOH"	112.985586
"1301192"	382.074664	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Cl+CF3COOH"	148.962264
"1379355"	198.099724	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H-2H2O"	-35.012676
"1387739"	216.1097	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H-H2O"	-17.0027
"287423"	467.232076	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+H"	1.007276
"678751"	700.344476	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+H"	1.007276
"1356196"	234.119676	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H"	1.007276
"138928"	234.119676	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+2H"	2.014552
"577398"	350.675876	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+2H"	2.014552
"1046195"	117.563476	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2H"	2.014552
"214097"	156.415542666667	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+3H"	3.021828
"653656"	234.119676	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+3H"	3.021828
"1168501"	78.7114093333333	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+3H"	3.021828
"433960"	484.258623	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+NH4"	18.033823
"797146"	717.371023	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+NH4"	18.033823
"1685822"	251.146223	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+NH4"	18.033823
"335191"	242.6329495	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+H+NH4"	19.041099
"727612"	359.1891495	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+H+NH4"	19.041099
"1482527"	126.0767495	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H+NH4"	19.041099
"402302"	489.214018	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+Na"	22.989218
"766581"	722.326418	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+Na"	22.989218
"1605570"	256.101618	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Na"	22.989218
"321441"	245.110647	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+H+Na"	23.996494
"719328"	361.666847	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+H+Na"	23.996494
"1473149"	128.554447	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H+Na"	23.996494
"1060926"	86.0387233333333	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2H+Na"	25.00377
"1265883"	266.145886	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+CH3OH+H"	33.033486
"385553"	505.187958	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+K"	38.963158
"741079"	738.300358	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+K"	38.963158
"1541672"	272.075558	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+K"	38.963158
"301766"	253.097617	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+H+K"	39.970434
"693094"	369.653817	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+H+K"	39.970434
"1448737"	136.541417	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H+K"	39.970434
"237699"	508.258626	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+ACN+H"	42.033826
"1211498"	275.146226	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+ACN+H"	42.033826
"1195017"	138.076751	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+ACN+2H"	43.041102
"190451"	511.19596	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+2Na-H"	44.97116
"630743"	744.30836	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+2Na-H"	44.97116
"1132789"	278.08356	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2Na-H"	44.97116
"174620"	256.101618	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+2Na"	45.978436
"622568"	372.657818	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+2Na"	45.978436
"1119149"	139.545418	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2Na"	45.978436
"1408141"	93.3660373333333	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H+2Na"	46.985712
"1436611"	280.125146	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H+HCOOH"	47.012746
"227037"	261.13464	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+3H2O+2H"	56.04448
"1521661"	294.17719	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+IsoProp+H"	61.06479
"414785"	264.088588	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+Na+K"	61.952376
"779061"	380.644788	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+Na+K"	61.952376
"1675029"	147.532388	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Na+K"	61.952376
"259726"	530.240568	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+ACN+Na"	64.015768
"1236083"	297.128168	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+ACN+Na"	64.015768
"1722781"	297.151693	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+NH4+HCOOH"	64.039293
"1185583"	100.693351333333	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+3Na"	68.967654
"1657662"	302.107088	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Na+HCOOH"	68.994688
"164523"	543.14384	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+2K-H"	76.91904
"603353"	776.25624	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+2K-H"	76.91904
"1087502"	310.03144	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2K-H"	76.91904
"143952"	272.075558	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"2M+2K"	77.926316
"589345"	388.631758	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"3M+2K"	77.926316
"1072771"	155.519358	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2K"	77.926316
"1112919"	312.045992	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2K+H"	78.933592
"1347841"	312.133607	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+DMSO+H"	79.021207
"1017465"	316.172776	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2ACN+H"	83.060376
"1536684"	317.166408	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+IsoProp+Na+H"	84.054008
"1003132"	158.590026	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+2ACN+2H"	84.067652
"1596539"	318.081028	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+K+HCOOH"	84.968628
"1421105"	348.112538	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+H+CF3COOH"	115.000138
"1150299"	179.103301	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+3ACN+2H"	125.094202
"1697069"	365.139085	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+NH4+CF3COOH"	132.026685
"1642065"	370.09448	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+Na+CF3COOH"	136.98208
"1576625"	386.06842	"C04337"	"N(omega)-Nitro-L-arginine methyl ester;N(G)-Nitro-L-arginine methyl ester"	"C7H15N5O4"	"233.1124"	"M+K+CF3COOH"	152.95602
"806993"	547.0968	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M"	0
"979433"	528.07841	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-H2O-H"	-19.01839
"63025"	363.723924	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M-3H"	-3.021828
"503592"	546.089524	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M-3H"	-3.021828
"895617"	181.358324	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-3H"	-3.021828
"14564"	546.089524	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M-2H"	-2.014552
"454123"	819.637924	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M-2H"	-2.014552
"832168"	272.541124	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-2H"	-2.014552
"84260"	1093.186324	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M-H"	-1.007276
"520907"	1640.283124	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M-H"	-1.007276
"904905"	546.089524	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-H"	-1.007276
"53812"	1110.212871	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+NH4"	16.019271
"496652"	1657.309671	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+NH4"	16.019271
"867892"	563.116071	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-2H+NH4"	16.019271
"34700"	1115.168266	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+Na"	20.974666
"480820"	1662.265066	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+Na"	20.974666
"855342"	568.071466	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-2H+Na"	20.974666
"1621595"	568.071466	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Na-2H"	20.974666
"108213"	564.077863	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M-H+Cl"	33.962126
"549721"	837.626263	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M-H+Cl"	33.962126
"935574"	290.529463	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-H+Cl"	33.962126
"277412"	1129.163002	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+Cl"	34.969402
"675431"	1676.259802	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+Cl"	34.969402
"1286983"	582.066202	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Cl"	34.969402
"29903"	1131.142206	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+K"	36.948606
"468736"	1678.239006	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+K"	36.948606
"845081"	584.045406	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-2H+K"	36.948606
"1569300"	584.045406	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+K-2H"	36.948606
"951348"	592.094994	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-H+HCOOH"	44.998194
"373210"	1139.191801	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+HCOOH-H"	44.998201
"359281"	1153.207451	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+Hac-H"	59.013851
"1503375"	606.110651	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Hac-H"	59.013851
"969823"	614.076951	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-H+NaCOOH"	66.980151
"124931"	582.066202	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+2Cl"	69.938804
"565425"	855.614602	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+2Cl"	69.938804
"1036080"	308.517802	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2Cl"	69.938804
"1256513"	626.015685	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Br"	78.918885
"1319327"	628.071672	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+HCOOH"	80.974872
"1335004"	650.053629	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+NaCOOH"	102.956829
"925330"	660.082386	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M-H+CF3COOH"	112.985586
"1300947"	696.059064	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+CF3COOH"	148.962264
"1379108"	512.084124	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H-2H2O"	-35.012676
"1390044"	530.0941	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H-H2O"	-17.0027
"288637"	1095.200876	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+H"	1.007276
"687619"	1642.297676	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+H"	1.007276
"1359594"	548.104076	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H"	1.007276
"139044"	548.104076	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+2H"	2.014552
"572042"	821.652476	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+2H"	2.014552
"1050684"	274.555676	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2H"	2.014552
"215307"	365.738476	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+3H"	3.021828
"657056"	548.104076	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+3H"	3.021828
"1172993"	183.372876	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+3H"	3.021828
"430797"	1112.227423	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+NH4"	18.033823
"791794"	1659.324223	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+NH4"	18.033823
"1686303"	565.130623	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+NH4"	18.033823
"332759"	556.6173495	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+H+NH4"	19.041099
"724450"	830.1657495	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+H+NH4"	19.041099
"1480821"	283.0689495	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H+NH4"	19.041099
"398408"	1117.182818	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+Na"	22.989218
"756487"	1664.279618	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+Na"	22.989218
"1608237"	570.086018	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Na"	22.989218
"315357"	559.095047	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+H+Na"	23.996494
"713974"	832.643447	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+H+Na"	23.996494
"1464873"	285.546647	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H+Na"	23.996494
"1054841"	190.70019	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2H+Na"	25.00377
"1259437"	580.130286	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+CH3OH+H"	33.033486
"378740"	1133.156758	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+K"	38.963158
"745568"	1680.253558	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+K"	38.963158
"1541058"	586.059958	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+K"	38.963158
"300423"	567.082017	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+H+K"	39.970434
"693937"	840.630417	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+H+K"	39.970434
"1451044"	293.533617	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H+K"	39.970434
"244020"	1136.227426	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+H"	42.033826
"1212354"	589.130626	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+H"	42.033826
"1200977"	295.068951	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+2H"	43.041102
"198955"	1139.16476	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na-H"	44.97116
"637421"	1686.26156	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na-H"	44.97116
"1142020"	592.06796	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2Na-H"	44.97116
"183126"	570.086018	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na"	45.978436
"621223"	843.634418	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na"	45.978436
"1119261"	296.537618	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2Na"	45.978436
"1405337"	198.027504	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H+2Na"	46.985712
"1436361"	594.109546	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H+HCOOH"	47.012746
"223867"	575.11904	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+3H2O+2H"	56.04448
"1510470"	608.16159	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+H"	61.06479
"413439"	578.072988	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+Na+K"	61.952376
"770661"	851.621388	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+Na+K"	61.952376
"1667852"	304.524588	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Na+K"	61.952376
"253276"	1158.209368	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+Na"	64.015768
"1226226"	611.112568	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+Na"	64.015768
"1712992"	611.136093	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+HCOOH"	64.039293
"1180961"	205.354818	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+3Na"	68.967654
"1651213"	616.091488	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Na+HCOOH"	68.994688
"159171"	1171.11264	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+2K-H"	76.91904
"609686"	1718.20944	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+2K-H"	76.91904
"1093095"	624.01584	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2K-H"	76.91904
"153922"	586.059958	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"2M+2K"	77.926316
"595309"	859.608358	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"3M+2K"	77.926316
"1080549"	312.511558	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2K"	77.926316
"1113028"	626.030392	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2K+H"	78.933592
"1344673"	626.118007	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+DMSO+H"	79.021207
"1016482"	630.157176	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+H"	83.060376
"1533513"	631.150808	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+Na+H"	84.054008
"1004710"	315.582226	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+2H"	84.067652
"1601763"	632.065428	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+K+HCOOH"	84.968628
"1428883"	662.096938	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+H+CF3COOH"	115.000138
"1158076"	336.095501	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+3ACN+2H"	125.094202
"1712598"	679.123485	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+CF3COOH"	132.026685
"1649478"	684.07888	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+Na+CF3COOH"	136.98208
"1586580"	700.05282	"C04346"	"dTDP-4-amino-46-dideoxy-D-galactose;dTDP-4-amino-46-dideoxy-alpha-D-galactose"	"C16H27N3O14P2"	"547.0968"	"M+K+CF3COOH"	152.95602
"807104"	883.1262	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M"	0
"974494"	864.10781	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H2O-H"	-19.01839
"63171"	587.743524	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-3H"	-3.021828
"515008"	882.118924	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-3H"	-3.021828
"893904"	293.368124	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-3H"	-3.021828
"14664"	882.118924	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H"	-2.014552
"453132"	1323.682024	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H"	-2.014552
"827658"	440.555824	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H"	-2.014552
"84372"	1765.245124	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-H"	-1.007276
"521744"	2648.371324	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-H"	-1.007276
"902828"	882.118924	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H"	-1.007276
"55014"	1782.271671	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H+NH4"	16.019271
"493479"	2665.397871	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H+NH4"	16.019271
"865206"	899.145471	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H+NH4"	16.019271
"32987"	1787.227066	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H+Na"	20.974666
"478743"	2670.353266	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H+Na"	20.974666
"857642"	904.100866	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H+Na"	20.974666
"1622801"	904.100866	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na-2H"	20.974666
"108566"	900.107263	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-H+Cl"	33.962126
"547275"	1341.670363	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-H+Cl"	33.962126
"935685"	458.544163	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+Cl"	33.962126
"282720"	1801.221802	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Cl"	34.969402
"674813"	2684.348002	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+Cl"	34.969402
"1285271"	918.095602	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl"	34.969402
"19445"	1803.201006	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H+K"	36.948606
"462283"	2686.327206	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H+K"	36.948606
"836804"	920.074806	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H+K"	36.948606
"1561386"	920.074806	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K-2H"	36.948606
"949269"	928.124394	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+HCOOH"	44.998194
"369672"	1811.250601	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+HCOOH-H"	44.998201
"349184"	1825.266251	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Hac-H"	59.013851
"1495829"	942.140051	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Hac-H"	59.013851
"963371"	950.106351	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+NaCOOH"	66.980151
"123215"	918.095602	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2Cl"	69.938804
"564963"	1359.658702	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2Cl"	69.938804
"1034856"	476.532502	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2Cl"	69.938804
"1255163"	962.045085	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Br"	78.918885
"1319559"	964.101072	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl+HCOOH"	80.974872
"1335235"	986.083029	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl+NaCOOH"	102.956829
"924347"	996.111786	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+CF3COOH"	112.985586
"1303811"	1032.088464	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl+CF3COOH"	148.962264
"1378124"	848.113524	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H-2H2O"	-35.012676
"1391246"	866.1235	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H-H2O"	-17.0027
"288747"	1767.259676	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H"	1.007276
"684449"	2650.385876	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H"	1.007276
"1361891"	884.133476	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H"	1.007276
"131499"	884.133476	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2H"	2.014552
"576532"	1325.696576	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2H"	2.014552
"1047517"	442.570376	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2H"	2.014552
"217363"	589.758076	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+3H"	3.021828
"650240"	884.133476	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+3H"	3.021828
"1170187"	295.382676	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+3H"	3.021828
"429085"	1784.286223	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+NH4"	18.033823
"794094"	2667.412423	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+NH4"	18.033823
"1686050"	901.160023	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+NH4"	18.033823
"331043"	892.6467495	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H+NH4"	19.041099
"723585"	1334.2098495	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H+NH4"	19.041099
"1477315"	451.0836495	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+NH4"	19.041099
"393413"	1789.241618	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Na"	22.989218
"759512"	2672.367818	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+Na"	22.989218
"1605059"	906.115418	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na"	22.989218
"316922"	895.124447	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H+Na"	23.996494
"710801"	1336.687547	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H+Na"	23.996494
"1463890"	453.561347	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+Na"	23.996494
"1054586"	302.70999	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2H+Na"	25.00377
"1258817"	916.159686	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+CH3OH+H"	33.033486
"378849"	1805.215558	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+K"	38.963158
"739480"	2688.341758	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+K"	38.963158
"1540440"	922.089358	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K"	38.963158
"300533"	903.111417	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H+K"	39.970434
"692228"	1344.674517	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H+K"	39.970434
"1454435"	461.548317	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+K"	39.970434
"240851"	1808.286226	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+ACN+H"	42.033826
"1215018"	925.160026	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+ACN+H"	42.033826
"1206194"	463.083651	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+ACN+2H"	43.041102
"197972"	1811.22356	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2Na-H"	44.97116
"635342"	2694.34976	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2Na-H"	44.97116
"1141038"	928.09736	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2Na-H"	44.97116
"184327"	906.115418	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2Na"	45.978436
"618783"	1347.678518	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2Na"	45.978436
"1122291"	464.552318	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2Na"	45.978436
"1404356"	310.037304	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+2Na"	46.985712
"1439753"	930.138946	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+HCOOH"	47.012746
"224344"	911.14844	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+3H2O+2H"	56.04448
"1510946"	944.19099	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+IsoProp+H"	61.06479
"415009"	914.102388	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Na+K"	61.952376
"783662"	1355.665488	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+Na+K"	61.952376
"1672336"	472.539288	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na+K"	61.952376
"251764"	1830.268168	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+ACN+Na"	64.015768
"1225971"	947.141968	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+ACN+Na"	64.015768
"1715355"	947.165493	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+NH4+HCOOH"	64.039293
"1180344"	317.364618	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+3Na"	68.967654
"1652423"	952.120888	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na+HCOOH"	68.994688
"169500"	1843.17144	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2K-H"	76.91904
"602495"	2726.29764	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2K-H"	76.91904
"1088465"	960.04524	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2K-H"	76.91904
"151116"	922.089358	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2K"	77.926316
"591769"	1363.652458	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2K"	77.926316
"1076282"	480.526258	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2K"	77.926316
"1112775"	962.059792	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2K+H"	78.933592
"1349161"	962.147407	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+DMSO+H"	79.021207
"1017688"	966.186576	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2ACN+H"	83.060376
"1534724"	967.180208	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+IsoProp+Na+H"	84.054008
"1005062"	483.596926	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2ACN+2H"	84.067652
"1601873"	968.094828	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K+HCOOH"	84.968628
"1425711"	998.126338	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+CF3COOH"	115.000138
"1157093"	504.110201	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+3ACN+2H"	125.094202
"1704456"	1015.152885	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+NH4+CF3COOH"	132.026685
"1647760"	1020.10828	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na+CF3COOH"	136.98208
"1577943"	1036.08222	"C04348"	"L-Malyl-CoA;(S)-Malyl-CoA;Malyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;(3S)-3-Carboxy-3-hydroxypropionyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K+CF3COOH"	152.95602
"807214"	176.0321	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M"	0
"974748"	157.01371	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"63232"	116.347457333333	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"514025"	175.024824	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"891464"	57.6700906666667	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"12588"	175.024824	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"452514"	263.040874	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"827404"	87.008774	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"85575"	351.056924	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"521854"	527.089024	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"900750"	175.024824	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"50750"	368.083471	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"489215"	544.115571	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"869204"	192.051371	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"32365"	373.038866	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"475573"	549.070966	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"853375"	197.006766	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1621813"	197.006766	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"96157"	193.013163	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"545197"	281.029213	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"933608"	104.997113	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"281285"	387.033602	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"673707"	563.065702	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1287204"	211.001502	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"19555"	389.012806	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"461300"	565.044906	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"834362"	212.980706	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1561494"	212.980706	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"949378"	221.030294	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"367595"	397.062401	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"349294"	411.078051	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1493995"	235.045951	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"963481"	243.012251	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"121138"	211.001502	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"561427"	299.017552	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1034602"	122.985452	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1254545"	254.950985	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1319507"	257.006972	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1335221"	278.988929	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"924457"	289.017686	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1302626"	324.994364	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1378234"	141.019424	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1391356"	159.0294	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"287764"	353.071476	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"684559"	529.103576	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1360907"	177.039376	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"131609"	177.039376	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"578828"	265.055426	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1048720"	89.023326	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"217352"	118.362009333333	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"650715"	177.039376	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1168110"	59.6846426666667	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"429195"	370.098023	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"793111"	546.130123	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1684337"	194.065923	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"330177"	185.5526495	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"723574"	273.5686995	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1477554"	97.5365995	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"393320"	375.053418	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"757799"	551.085518	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1605168"	199.021318	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"315937"	188.030347	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"710546"	276.046397	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1464001"	100.014297	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1056153"	67.0119566666667	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1258926"	209.065586	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"379687"	391.027358	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"740681"	567.059458	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1541643"	214.995258	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"298818"	196.017317	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"691479"	284.033367	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1447983"	108.001267	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"238773"	394.098026	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1211481"	218.065926	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1199375"	109.536601	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"198079"	397.03536	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"633265"	573.06746	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1138961"	221.00326	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"178239"	199.021318	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"616706"	287.037368	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1116932"	111.005268	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1400090"	74.3392706666667	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1434759"	223.044846	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"220806"	204.05434	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1508864"	237.09689	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"415119"	207.008288	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"784017"	295.024338	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1672446"	118.992238	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"251670"	416.079968	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1225694"	240.047868	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1717287"	240.071393	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1181547"	81.6665846666667	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1651440"	245.026788	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"166694"	428.98324	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"600053"	605.01534	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1087117"	252.95114	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"147946"	214.995258	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"591515"	303.011308	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1073112"	126.979208	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1111063"	254.965692	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1348541"	255.053307	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1017070"	259.092476	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1534834"	260.086108	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"1004808"	130.049876	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1601620"	261.000728	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1425821"	291.032238	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1158296"	150.563151	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1704566"	308.058785	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1647870"	313.01418	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1578053"	328.98812	"C04349"	"(4S)-46-Dihydroxy-25-dioxohexanoate;3-Deoxy-D-glycero-25-hexodiulosonate;25-Diketo-3-deoxy-D-gluconate"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"807324"	151.0633	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M"	0
"975389"	132.04491	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"62959"	99.7015906666667	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"517414"	150.056024	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"894125"	49.3471573333333	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"14281"	150.056024	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"446792"	225.587674	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"827880"	74.524374	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"84592"	301.119324	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"530712"	452.182624	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"898673"	150.056024	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"49038"	318.145871	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"491513"	469.209171	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"872595"	167.082571	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"32843"	323.101266	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"476777"	474.164566	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"854580"	172.037966	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1620103"	172.037966	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"97360"	168.044363	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"545671"	243.576013	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"931530"	92.512713	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"281398"	337.096002	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"675241"	488.159302	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1287562"	186.032702	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"28413"	339.075206	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"459226"	490.138506	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"840308"	188.011906	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1562700"	188.011906	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"951674"	196.061494	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"363333"	347.124801	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"350497"	361.140451	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1493986"	210.077151	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"959217"	218.043451	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"119062"	186.032702	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"560810"	261.564352	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1027425"	110.501052	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1256720"	229.982185	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1319292"	232.038172	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1334728"	254.020129	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"925662"	264.048886	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1303101"	300.025564	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1378346"	116.050624	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1394747"	134.0606	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"295529"	303.133876	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"689045"	454.197176	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1365392"	152.070576	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"140467"	152.070576	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"578939"	227.602226	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1048830"	76.538926	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"216731"	101.716142666667	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"656292"	152.070576	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1172230"	51.3617093333333	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"435502"	320.160423	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"793222"	471.223723	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1685540"	169.097123	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"332721"	160.5838495	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"726238"	236.1154995	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1479327"	85.0521995	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"395456"	325.115818	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"756453"	476.179118	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1605280"	174.052518	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"318598"	163.061547	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"712115"	238.593197	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1467391"	87.529897	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1058087"	58.6890233333333	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1260132"	184.096786	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"380530"	341.089758	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"741523"	492.153058	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1542483"	190.026458	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"300387"	171.048517	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"692201"	246.580167	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1447000"	95.516867	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"238883"	344.160426	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1215601"	193.097126	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1199122"	97.052201	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"194544"	347.09776	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"633740"	498.16106	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1137247"	196.03446	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"180538"	174.052518	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"615722"	249.584168	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1117042"	98.520868	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1403845"	66.0163373333333	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1434505"	198.076046	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"222011"	179.08554	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1508976"	212.12809	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"415229"	182.039488	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"776226"	257.571138	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1665601"	106.507838	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"251463"	366.142368	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1231784"	215.079068	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1718855"	215.102593	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1182750"	73.3436513333333	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1652643"	220.057988	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"166072"	379.04564	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"603078"	530.10894	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1090509"	227.98234	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"145868"	190.026458	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"585429"	265.558108	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1076502"	114.494808	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1106432"	229.996892	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1347557"	230.084507	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1015357"	234.123676	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1538835"	235.117308	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"1004554"	117.565476	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1602699"	236.031928	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1423745"	266.063438	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1158406"	138.078751	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1707957"	283.089985	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1647980"	288.04538	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1578163"	304.01932	"C04350"	"(E)-4-Hydroxyphenylacetaldehyde-oxime"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"807434"	163.0997	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M"	0
"978778"	144.08131	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-H2O-H"	-19.01839
"69208"	107.725857333333	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M-3H"	-3.021828
"515338"	162.092424	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M-3H"	-3.021828
"894601"	53.3592906666667	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-3H"	-3.021828
"11717"	162.092424	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M-2H"	-2.014552
"446902"	243.642274	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M-2H"	-2.014552
"824710"	80.542574	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-2H"	-2.014552
"84702"	325.192124	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M-H"	-1.007276
"527542"	488.291824	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M-H"	-1.007276
"898417"	162.092424	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-H"	-1.007276
"50970"	342.218671	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M-2H+NH4"	16.019271
"487732"	505.318371	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M-2H+NH4"	16.019271
"865294"	179.118971	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-2H+NH4"	16.019271
"34167"	347.174066	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M-2H+Na"	20.974666
"476887"	510.273766	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M-2H+Na"	20.974666
"851410"	184.074366	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-2H+Na"	20.974666
"1622035"	184.074366	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Na-2H"	20.974666
"97470"	180.080763	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M-H+Cl"	33.962126
"539220"	261.630613	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M-H+Cl"	33.962126
"932733"	98.530913	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-H+Cl"	33.962126
"282596"	361.168802	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+Cl"	34.969402
"674419"	524.268502	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+Cl"	34.969402
"1285966"	198.069102	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Cl"	34.969402
"25243"	363.148006	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M-2H+K"	36.948606
"465897"	526.247706	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M-2H+K"	36.948606
"843699"	200.048306	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-2H+K"	36.948606
"1558437"	200.048306	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+K-2H"	36.948606
"949600"	208.097894	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-H+HCOOH"	44.998194
"370005"	371.197601	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+HCOOH-H"	44.998201
"346476"	385.213251	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+Hac-H"	59.013851
"1494096"	222.113551	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Hac-H"	59.013851
"960422"	230.079851	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-H+NaCOOH"	66.980151
"113705"	198.069102	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+2Cl"	69.938804
"558733"	279.618952	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+2Cl"	69.938804
"1026441"	116.519252	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2Cl"	69.938804
"1254765"	242.018585	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Br"	78.918885
"1316120"	244.074572	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Cl+HCOOH"	80.974872
"1332525"	266.056529	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Cl+NaCOOH"	102.956829
"922491"	276.085286	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M-H+CF3COOH"	112.985586
"1297014"	312.061964	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Cl+CF3COOH"	148.962264
"1377362"	128.087024	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H-2H2O"	-35.012676
"1388297"	146.097	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H-H2O"	-17.0027
"295640"	327.206676	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+H"	1.007276
"685875"	490.306376	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+H"	1.007276
"1364409"	164.106976	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H"	1.007276
"138391"	164.106976	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+2H"	2.014552
"579046"	245.656826	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+2H"	2.014552
"1044567"	82.557126	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2H"	2.014552
"214653"	109.740409333333	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+3H"	3.021828
"657496"	164.106976	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+3H"	3.021828
"1174527"	55.3738426666667	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+3H"	3.021828
"431238"	344.233223	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+NH4"	18.033823
"788957"	507.332923	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+NH4"	18.033823
"1684557"	181.133523	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+NH4"	18.033823
"330401"	172.6202495	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+H+NH4"	19.041099
"723431"	254.1700995	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+H+NH4"	19.041099
"1478346"	91.0703995	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H+NH4"	19.041099
"395203"	349.188618	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+Na"	22.989218
"755106"	512.288318	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+Na"	22.989218
"1606483"	186.088918	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Na"	22.989218
"316159"	175.097947	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+H+Na"	23.996494
"711131"	256.647797	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+H+Na"	23.996494
"1464222"	93.548097	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H+Na"	23.996494
"1056374"	62.7011566666667	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2H+Na"	25.00377
"1259513"	196.133186	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+CH3OH+H"	33.033486
"381734"	365.162558	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+K"	38.963158
"742726"	528.262258	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+K"	38.963158
"1542594"	202.062858	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+K"	38.963158
"299040"	183.084917	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+H+K"	39.970434
"693283"	264.634767	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+H+K"	39.970434
"1447473"	101.535067	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H+K"	39.970434
"237900"	368.233226	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+ACN+H"	42.033826
"1217170"	205.133526	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+ACN+H"	42.033826
"1203241"	103.070401	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+ACN+2H"	43.041102
"197206"	371.17056	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+2Na-H"	44.97116
"632757"	534.27026	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+2Na-H"	44.97116
"1136629"	208.07086	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2Na-H"	44.97116
"180284"	186.088918	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+2Na"	45.978436
"617289"	267.638768	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+2Na"	45.978436
"1121161"	104.539068	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2Na"	45.978436
"1404684"	70.0284706666667	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H+2Na"	46.985712
"1436801"	210.112446	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H+HCOOH"	47.012746
"223578"	191.12194	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+3H2O+2H"	56.04448
"1510911"	224.16449	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+IsoProp+H"	61.06479
"418619"	194.075888	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+Na+K"	61.952376
"778523"	275.625738	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+Na+K"	61.952376
"1668292"	112.526038	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Na+K"	61.952376
"252135"	390.215168	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+ACN+Na"	64.015768
"1231894"	227.115468	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+ACN+Na"	64.015768
"1717871"	227.138993	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+NH4+HCOOH"	64.039293
"1183953"	77.3557846666667	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+3Na"	68.967654
"1652753"	232.094388	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Na+HCOOH"	68.994688
"162172"	403.11844	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+2K-H"	76.91904
"597720"	566.21814	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+2K-H"	76.91904
"1084296"	240.01874	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2K-H"	76.91904
"145247"	202.062858	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"2M+2K"	77.926316
"587724"	283.612708	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"3M+2K"	77.926316
"1076612"	120.513008	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2K"	77.926316
"1108728"	242.033292	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2K+H"	78.933592
"1346207"	242.120907	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+DMSO+H"	79.021207
"1014737"	246.160076	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2ACN+H"	83.060376
"1529587"	247.153708	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+IsoProp+Na+H"	84.054008
"998222"	123.583676	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+2ACN+2H"	84.067652
"1598192"	248.068328	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+K+HCOOH"	84.968628
"1421667"	278.099838	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+H+CF3COOH"	115.000138
"1151954"	144.096951	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+3ACN+2H"	125.094202
"1705880"	295.126385	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+NH4+CF3COOH"	132.026685
"1644810"	300.08178	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+Na+CF3COOH"	136.98208
"1577180"	316.05572	"C04351"	"(R)-2-Methylimino-1-phenylpropan-1-ol"	"C10H13NO"	"163.0997"	"M+K+CF3COOH"	152.95602
"807544"	402.0862	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M"	0
"975971"	383.06781	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-H2O-H"	-19.01839
"64336"	267.050190666667	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M-3H"	-3.021828
"516541"	401.078924	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M-3H"	-3.021828
"891066"	133.021457333333	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-3H"	-3.021828
"8547"	401.078924	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M-2H"	-2.014552
"447012"	602.122024	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M-2H"	-2.014552
"824820"	200.035824	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-2H"	-2.014552
"84812"	803.165124	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M-H"	-1.007276
"525464"	1205.251324	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M-H"	-1.007276
"902174"	401.078924	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-H"	-1.007276
"56548"	820.191671	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M-2H+NH4"	16.019271
"489547"	1222.277871	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M-2H+NH4"	16.019271
"867349"	418.105471	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-2H+NH4"	16.019271
"34155"	825.147066	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M-2H+Na"	20.974666
"472866"	1227.233266	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M-2H+Na"	20.974666
"851640"	423.060866	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-2H+Na"	20.974666
"1623238"	423.060866	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Na-2H"	20.974666
"97578"	419.067263	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M-H+Cl"	33.962126
"538235"	620.110363	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M-H+Cl"	33.962126
"931750"	218.024163	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-H+Cl"	33.962126
"282585"	839.141802	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+Cl"	34.969402
"674651"	1241.228002	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+Cl"	34.969402
"1286076"	437.055602	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Cl"	34.969402
"25353"	841.121006	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M-2H+K"	36.948606
"466007"	1243.207206	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M-2H+K"	36.948606
"844903"	439.034806	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-2H+K"	36.948606
"1560734"	439.034806	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+K-2H"	36.948606
"950803"	447.084394	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-H+HCOOH"	44.998194
"362094"	849.170601	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+HCOOH-H"	44.998201
"346829"	863.186251	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+Hac-H"	59.013851
"1493387"	461.100051	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Hac-H"	59.013851
"959310"	469.066351	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-H+NaCOOH"	66.980151
"111261"	437.055602	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+2Cl"	69.938804
"557749"	638.098702	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+2Cl"	69.938804
"1025821"	236.012502	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2Cl"	69.938804
"1251593"	481.005085	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Br"	78.918885
"1312949"	483.061072	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Cl+HCOOH"	80.974872
"1329352"	505.043029	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Cl+NaCOOH"	102.956829
"923693"	515.071786	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M-H+CF3COOH"	112.985586
"1301496"	551.048464	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Cl+CF3COOH"	148.962264
"1377472"	367.073524	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H-2H2O"	-35.012676
"1388407"	385.0835	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H-H2O"	-17.0027
"293563"	805.179676	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+H"	1.007276
"685985"	1207.265876	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+H"	1.007276
"1363426"	403.093476	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H"	1.007276
"138501"	403.093476	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+2H"	2.014552
"576969"	604.136576	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+2H"	2.014552
"1043581"	202.050376	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2H"	2.014552
"212574"	269.064742666667	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+3H"	3.021828
"652136"	403.093476	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+3H"	3.021828
"1174637"	135.036009333333	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+3H"	3.021828
"431347"	822.206223	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+NH4"	18.033823
"791254"	1224.292423	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+NH4"	18.033823
"1684304"	420.120023	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+NH4"	18.033823
"332941"	411.6067495	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+H+NH4"	19.041099
"726820"	612.6498495	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+H+NH4"	19.041099
"1480278"	210.5636495	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H+NH4"	19.041099
"396407"	827.161618	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+Na"	22.989218
"755094"	1229.247818	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+Na"	22.989218
"1605500"	425.075418	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Na"	22.989218
"317727"	414.084447	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+H+Na"	23.996494
"712334"	615.127547	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+H+Na"	23.996494
"1468340"	213.041347	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H+Na"	23.996494
"1057214"	142.363323333333	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2H+Na"	25.00377
"1258896"	435.119686	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+CH3OH+H"	33.033486
"384031"	843.135558	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+K"	38.963158
"741743"	1245.221758	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+K"	38.963158
"1543069"	441.049358	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+K"	38.963158
"298906"	422.071417	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+H+K"	39.970434
"692057"	623.114517	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+H+K"	39.970434
"1448313"	221.028317	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H+K"	39.970434
"236307"	846.206226	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+ACN+H"	42.033826
"1218373"	444.120026	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+ACN+H"	42.033826
"1203351"	222.563651	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+ACN+2H"	43.041102
"198409"	849.14356	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+2Na-H"	44.97116
"631775"	1251.22976	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+2Na-H"	44.97116
"1136011"	447.05736	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2Na-H"	44.97116
"180394"	425.075418	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+2Na"	45.978436
"615333"	626.118518	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+2Na"	45.978436
"1119086"	224.032318	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2Na"	45.978436
"1403701"	149.690637333333	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H+2Na"	46.985712
"1434725"	449.098946	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H+HCOOH"	47.012746
"222231"	430.10844	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+3H2O+2H"	56.04448
"1510414"	463.15099	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+IsoProp+H"	61.06479
"418729"	433.062388	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+Na+K"	61.952376
"778633"	634.105488	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+Na+K"	61.952376
"1668402"	232.019288	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Na+K"	61.952376
"252367"	868.188168	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+ACN+Na"	64.015768
"1229818"	466.101968	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+ACN+Na"	64.015768
"1716520"	466.125493	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+NH4+HCOOH"	64.039293
"1179321"	157.017951333333	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+3Na"	68.967654
"1653956"	471.080888	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Na+HCOOH"	68.994688
"163010"	881.09144	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+2K-H"	76.91904
"600746"	1283.17764	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+2K-H"	76.91904
"1084644"	479.00524	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2K-H"	76.91904
"146086"	441.049358	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"2M+2K"	77.926316
"584553"	642.092458	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"3M+2K"	77.926316
"1076722"	240.006258	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2K"	77.926316
"1105557"	481.019792	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2K+H"	78.933592
"1345953"	481.107407	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+DMSO+H"	79.021207
"1014847"	485.146576	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2ACN+H"	83.060376
"1528604"	486.140208	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+IsoProp+Na+H"	84.054008
"997239"	243.076926	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+2ACN+2H"	84.067652
"1599395"	487.054828	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+K+HCOOH"	84.968628
"1421777"	517.086338	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+H+CF3COOH"	115.000138
"1149878"	263.590201	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+3ACN+2H"	125.094202
"1705990"	534.112885	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+NH4+CF3COOH"	132.026685
"1644920"	539.06828	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+Na+CF3COOH"	136.98208
"1577290"	555.04222	"C04352"	"(R)-4-Phosphopantothenoyl-L-cysteine;N-(R)-4-Phosphopantothenoyl-L-cysteine"	"C12H23N2O9PS"	"402.0862"	"M+K+CF3COOH"	152.95602
"807654"	151.0633	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M"	0
"974664"	132.04491	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"67241"	99.7015906666667	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"518511"	150.056024	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"895472"	49.3471573333333	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"13760"	150.056024	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"453319"	225.587674	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"830396"	74.524374	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"87109"	301.119324	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"528854"	452.182624	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"906658"	150.056024	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"53377"	318.145871	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"489657"	469.209171	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"869646"	167.082571	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"35358"	323.101266	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"473827"	474.164566	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"850536"	172.037966	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1623348"	172.037966	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"97688"	168.044363	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"539438"	243.576013	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"930767"	92.512713	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"282533"	337.096002	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"675527"	488.159302	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1288217"	186.032702	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"29836"	339.075206	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"465024"	490.138506	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"846107"	188.011906	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1565218"	188.011906	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"949820"	196.061494	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"365851"	347.124801	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"346453"	361.140451	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1492802"	210.077151	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"958728"	218.043451	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"112829"	186.032702	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"561140"	261.564352	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1028846"	110.501052	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1251703"	229.982185	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1317433"	232.038172	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1332742"	254.020129	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"923803"	264.048886	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1301605"	300.025564	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1381589"	116.050624	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1388517"	134.0606	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"295860"	303.133876	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"688282"	454.197176	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1366451"	152.070576	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"140676"	152.070576	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"577079"	227.602226	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1041504"	76.538926	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"213778"	101.716142666667	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"651153"	152.070576	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1171467"	51.3617093333333	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"430364"	320.160423	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"791729"	471.223723	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1686966"	169.097123	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"332323"	160.5838495	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"725472"	236.1154995	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1479659"	85.0521995	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"396516"	325.115818	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"755325"	476.179118	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1609986"	174.052518	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"316742"	163.061547	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"712442"	238.593197	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1464441"	87.529897	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1057324"	58.6890233333333	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1257666"	184.096786	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"381954"	341.089758	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"740759"	492.153058	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1542814"	190.026458	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"302177"	171.048517	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"691476"	246.580167	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1446964"	95.516867	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"239213"	344.160426	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1219577"	193.097126	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1204920"	97.052201	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"198519"	347.09776	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"634801"	498.16106	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1136121"	196.03446	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"180504"	174.052518	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"617873"	249.584168	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1119196"	98.520868	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1403082"	66.0163373333333	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1435927"	198.076046	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"222705"	179.08554	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1511131"	212.12809	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"418839"	182.039488	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"778743"	257.571138	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1668876"	106.507838	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"253206"	366.142368	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1226642"	215.079068	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1722097"	215.102593	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1180891"	73.3436513333333	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1656253"	220.057988	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"163484"	379.04564	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"600491"	530.10894	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1085124"	227.98234	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"146196"	190.026458	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"584663"	265.558108	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1076832"	114.494808	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1105667"	229.996892	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1346063"	230.084507	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1014957"	234.123676	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1528714"	235.117308	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"998442"	117.565476	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1601328"	236.031928	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1425167"	266.063438	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1152175"	138.078751	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1705007"	283.089985	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1642843"	288.04538	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1577400"	304.01932	"C04353"	"(Z)-4-Hydroxyphenylacetaldehyde oxime;(Z)-4-Hydroxyphenylacetaldehyde oxime"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"807764"	370.0747	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M"	0
"974733"	351.05631	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-H2O-H"	-19.01839
"65164"	245.709190666667	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M-3H"	-3.021828
"515304"	369.067424	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M-3H"	-3.021828
"892744"	122.350957333333	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-3H"	-3.021828
"15330"	369.067424	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M-2H"	-2.014552
"449419"	554.104774	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M-2H"	-2.014552
"830507"	184.030074	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-2H"	-2.014552
"87219"	739.142124	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M-H"	-1.007276
"526777"	1109.216824	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M-H"	-1.007276
"905674"	369.067424	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-H"	-1.007276
"51300"	756.168671	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M-2H+NH4"	16.019271
"491954"	1126.243371	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M-2H+NH4"	16.019271
"865017"	386.093971	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-2H+NH4"	16.019271
"34375"	761.124066	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M-2H+Na"	20.974666
"472843"	1131.198766	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M-2H+Na"	20.974666
"850646"	391.049366	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-2H+Na"	20.974666
"1624552"	391.049366	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Na-2H"	20.974666
"97797"	387.055763	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M-H+Cl"	33.962126
"538451"	572.093113	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M-H+Cl"	33.962126
"930877"	202.018413	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-H+Cl"	33.962126
"282361"	775.118802	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+Cl"	34.969402
"674135"	1145.193502	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+Cl"	34.969402
"1288204"	405.044102	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Cl"	34.969402
"27759"	777.098006	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M-2H+K"	36.948606
"466227"	1147.172706	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M-2H+K"	36.948606
"846217"	407.023306	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-2H+K"	36.948606
"1556702"	407.023306	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+K-2H"	36.948606
"947743"	415.072894	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-H+HCOOH"	44.998194
"367055"	785.147601	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+HCOOH-H"	44.998201
"353126"	799.163251	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+Hac-H"	59.013851
"1492791"	429.088551	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Hac-H"	59.013851
"964032"	437.054851	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-H+NaCOOH"	66.980151
"115126"	405.044102	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+2Cl"	69.938804
"561249"	590.081452	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+2Cl"	69.938804
"1028956"	220.006752	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2Cl"	69.938804
"1249627"	448.993585	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Br"	78.918885
"1313170"	451.049572	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Cl+HCOOH"	80.974872
"1331760"	473.031529	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Cl+NaCOOH"	102.956829
"923913"	483.060286	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M-H+CF3COOH"	112.985586
"1301715"	519.036964	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Cl+CF3COOH"	148.962264
"1380242"	335.062024	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H-2H2O"	-35.012676
"1391908"	353.072	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H-H2O"	-17.0027
"291597"	741.156676	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+H"	1.007276
"686204"	1111.231376	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+H"	1.007276
"1360365"	371.081976	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H"	1.007276
"133254"	371.081976	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+2H"	2.014552
"577189"	556.119326	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+2H"	2.014552
"1040521"	186.044626	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2H"	2.014552
"210608"	247.723742666667	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+3H"	3.021828
"647983"	371.081976	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+3H"	3.021828
"1169390"	124.365509333333	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+3H"	3.021828
"428288"	758.183223	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+NH4"	18.033823
"790381"	1128.257923	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+NH4"	18.033823
"1685618"	388.108523	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+NH4"	18.033823
"331339"	379.5952495	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+H+NH4"	19.041099
"723197"	564.6325995	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+H+NH4"	19.041099
"1477299"	194.5578995	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H+NH4"	19.041099
"394440"	763.138618	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+Na"	22.989218
"754504"	1133.213318	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+Na"	22.989218
"1603900"	393.063918	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Na"	22.989218
"314339"	382.072947	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+H+Na"	23.996494
"710367"	567.110297	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+H+Na"	23.996494
"1463823"	197.035597	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H+Na"	23.996494
"1054885"	131.692823333333	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2H+Na"	25.00377
"1258021"	403.108186	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+CH3OH+H"	33.033486
"377689"	779.112558	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+K"	38.963158
"741962"	1149.187258	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+K"	38.963158
"1544016"	409.037858	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+K"	38.963158
"302288"	390.059917	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+H+K"	39.970434
"692281"	575.097267	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+H+K"	39.970434
"1445850"	205.022567	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H+K"	39.970434
"237136"	782.183226	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+ACN+H"	42.033826
"1218594"	412.108526	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+ACN+H"	42.033826
"1201383"	206.557901	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+ACN+2H"	43.041102
"198630"	785.12056	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+2Na-H"	44.97116
"638191"	1155.19526	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+2Na-H"	44.97116
"1139511"	415.04586	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2Na-H"	44.97116
"180614"	393.063918	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+2Na"	45.978436
"617986"	578.101268	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+2Na"	45.978436
"1119306"	208.026568	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2Na"	45.978436
"1402828"	139.020137333333	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H+2Na"	46.985712
"1434944"	417.087446	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H+HCOOH"	47.012746
"222451"	398.09694	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+3H2O+2H"	56.04448
"1510148"	431.13949	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+IsoProp+H"	61.06479
"417856"	401.050888	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+Na+K"	61.952376
"777760"	586.088238	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+Na+K"	61.952376
"1668986"	216.013538	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Na+K"	61.952376
"253680"	804.165168	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+ACN+Na"	64.015768
"1225903"	434.090468	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+ACN+Na"	64.015768
"1720021"	434.113993	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+NH4+HCOOH"	64.039293
"1181001"	146.347451333333	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+3Na"	68.967654
"1649911"	439.069388	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Na+HCOOH"	68.994688
"163231"	817.06844	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+2K-H"	76.91904
"599871"	1187.14314	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+2K-H"	76.91904
"1084869"	446.99374	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2K-H"	76.91904
"146306"	409.037858	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"2M+2K"	77.926316
"582217"	594.075208	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"3M+2K"	77.926316
"1074753"	224.000508	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2K"	77.926316
"1105777"	449.008292	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2K+H"	78.933592
"1342162"	449.095907	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+DMSO+H"	79.021207
"1015795"	453.135076	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2ACN+H"	83.060376
"1534290"	454.128708	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+IsoProp+Na+H"	84.054008
"1002925"	227.071176	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+2ACN+2H"	84.067652
"1602169"	455.043328	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+K+HCOOH"	84.968628
"1429527"	485.074838	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+H+CF3COOH"	115.000138
"1153379"	247.584451	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+3ACN+2H"	125.094202
"1707304"	502.101385	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+NH4+CF3COOH"	132.026685
"1642953"	507.05678	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+Na+CF3COOH"	136.98208
"1577510"	523.03072	"C04354"	"12-beta-D-Glucuronosyl-D-glucuronate;(1-2)-beta-D-Glucuronosyl-D-glucuronate"	"C12H18O13"	"370.0747"	"M+K+CF3COOH"	152.95602
"807874"	274.0454	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M"	0
"975329"	255.02701	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H2O-H"	-19.01839
"66368"	181.689657333333	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-3H"	-3.021828
"518047"	273.038124	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-3H"	-3.021828
"894676"	90.3411906666666	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-3H"	-3.021828
"9969"	273.038124	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H"	-2.014552
"450622"	410.060824	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H"	-2.014552
"831472"	136.015424	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H"	-2.014552
"90609"	547.083524	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-H"	-1.007276
"529074"	821.128924	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-H"	-1.007276
"906877"	273.038124	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H"	-1.007276
"54326"	564.110071	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H+NH4"	16.019271
"494979"	838.155471	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H+NH4"	16.019271
"872779"	290.064671	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H+NH4"	16.019271
"39950"	569.065466	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H+Na"	20.974666
"477325"	843.110866	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H+Na"	20.974666
"856221"	295.020066	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H+Na"	20.974666
"1627940"	295.020066	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na-2H"	20.974666
"101186"	291.026463	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-H+Cl"	33.962126
"541840"	428.049163	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-H+Cl"	33.962126
"936451"	154.003763	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+Cl"	33.962126
"281091"	583.060202	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Cl"	34.969402
"674609"	857.105602	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+Cl"	34.969402
"1287745"	309.014802	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl"	34.969402
"27869"	585.039406	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H+K"	36.948606
"463057"	859.084806	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H+K"	36.948606
"846327"	310.994006	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H+K"	36.948606
"1556691"	310.994006	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K-2H"	36.948606
"948948"	319.043594	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+HCOOH"	44.998194
"363885"	593.089001	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+HCOOH-H"	44.998201
"347769"	607.104651	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Hac-H"	59.013851
"1494414"	333.059251	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Hac-H"	59.013851
"964142"	341.025551	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+NaCOOH"	66.980151
"116329"	309.014802	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2Cl"	69.938804
"560266"	446.037502	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2Cl"	69.938804
"1032346"	171.992102	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2Cl"	69.938804
"1249738"	352.964285	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Br"	78.918885
"1308908"	355.020272	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl+HCOOH"	80.974872
"1328590"	377.002229	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl+NaCOOH"	102.956829
"924752"	387.030986	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+CF3COOH"	112.985586
"1302191"	423.007664	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl+CF3COOH"	148.962264
"1380717"	239.032724	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H-2H2O"	-35.012676
"1392018"	257.0427	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H-H2O"	-17.0027
"290614"	549.098076	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H"	1.007276
"685221"	823.143476	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H"	1.007276
"1357195"	275.052676	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H"	1.007276
"137738"	275.052676	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2H"	2.014552
"574019"	412.075376	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2H"	2.014552
"1038808"	138.029976	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2H"	2.014552
"210717"	183.704209333333	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+3H"	3.021828
"652466"	275.052676	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+3H"	3.021828
"1169499"	92.3557426666667	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+3H"	3.021828
"429491"	566.124623	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+NH4"	18.033823
"792678"	840.170023	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+NH4"	18.033823
"1684635"	292.079223	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+NH4"	18.033823
"334006"	283.5659495	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H+NH4"	19.041099
"726424"	420.5886495	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H+NH4"	19.041099
"1479153"	146.5432495	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+NH4"	19.041099
"396369"	571.080018	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Na"	22.989218
"755546"	845.125418	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+Na"	22.989218
"1604492"	297.034618	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na"	22.989218
"316599"	286.043647	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H+Na"	23.996494
"708288"	423.066347	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H+Na"	23.996494
"1464664"	149.020947	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+Na"	23.996494
"1058639"	99.6830566666666	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2H+Na"	25.00377
"1262504"	307.078886	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+CH3OH+H"	33.033486
"383265"	587.053958	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+K"	38.963158
"747540"	861.099358	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+K"	38.963158
"1547407"	313.008558	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K"	38.963158
"303491"	294.030617	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H+K"	39.970434
"694821"	431.053317	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H+K"	39.970434
"1446937"	157.007917	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+K"	39.970434
"237245"	590.124626	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+ACN+H"	42.033826
"1218703"	316.079226	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+ACN+H"	42.033826
"1204774"	158.543251	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+ACN+2H"	43.041102
"200926"	593.06196	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2Na-H"	44.97116
"638301"	867.10736	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2Na-H"	44.97116
"1134152"	319.01656	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2Na-H"	44.97116
"177443"	297.034618	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2Na"	45.978436
"618096"	434.057318	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2Na"	45.978436
"1120509"	160.011918	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2Na"	45.978436
"1404031"	107.010370666667	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+2Na"	46.985712
"1432136"	321.058146	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+HCOOH"	47.012746
"222562"	302.06764	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+3H2O+2H"	56.04448
"1510257"	335.11019	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+IsoProp+H"	61.06479
"417966"	305.021588	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Na+K"	61.952376
"778963"	442.044288	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+Na+K"	61.952376
"1668732"	167.998888	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na+K"	61.952376
"254155"	612.106568	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+ACN+Na"	64.015768
"1226864"	338.061168	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+ACN+Na"	64.015768
"1722317"	338.084693	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+NH4+HCOOH"	64.039293
"1181109"	114.337684666667	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+3Na"	68.967654
"1651001"	343.040088	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na+HCOOH"	68.994688
"164800"	625.00984	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2K-H"	76.91904
"598159"	899.05524	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2K-H"	76.91904
"1085220"	350.96444	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2K-H"	76.91904
"144229"	313.008558	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2K"	77.926316
"582327"	450.031258	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2K"	77.926316
"1074863"	175.985858	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2K"	77.926316
"1108073"	352.978992	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2K+H"	78.933592
"1342272"	353.066607	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+DMSO+H"	79.021207
"1016635"	357.105776	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2ACN+H"	83.060376
"1532214"	358.099408	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+IsoProp+Na+H"	84.054008
"1002307"	179.056526	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2ACN+2H"	84.067652
"1601185"	359.014028	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K+HCOOH"	84.968628
"1427206"	389.045538	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+CF3COOH"	115.000138
"1154582"	199.569801	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+3ACN+2H"	125.094202
"1707414"	406.072085	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+NH4+CF3COOH"	132.026685
"1643063"	411.02748	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na+CF3COOH"	136.98208
"1577620"	427.00142	"C04359"	"1-Deoxy-D-altro-heptulose 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K+CF3COOH"	152.95602
"807984"	636.0963	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M"	0
"975073"	617.07791	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-H2O-H"	-19.01839
"66478"	423.056924	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M-3H"	-3.021828
"514793"	635.089024	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M-3H"	-3.021828
"893692"	211.024824	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-3H"	-3.021828
"7893"	635.089024	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M-2H"	-2.014552
"449639"	953.137174	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M-2H"	-2.014552
"830727"	317.040874	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-2H"	-2.014552
"88532"	1271.185324	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M-H"	-1.007276
"529184"	1907.281624	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M-H"	-1.007276
"904797"	635.089024	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-H"	-1.007276
"55894"	1288.211871	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M-2H+NH4"	16.019271
"495452"	1924.308171	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M-2H+NH4"	16.019271
"871066"	652.115571	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-2H+NH4"	16.019271
"38966"	1293.167266	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M-2H+Na"	20.974666
"477434"	1929.263566	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M-2H+Na"	20.974666
"854508"	657.070966	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-2H+Na"	20.974666
"1628050"	657.070966	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Na-2H"	20.974666
"101296"	653.077363	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M-H+Cl"	33.962126
"541950"	971.125513	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M-H+Cl"	33.962126
"934374"	335.029213	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-H+Cl"	33.962126
"281323"	1307.162002	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+Cl"	34.969402
"668639"	1943.258302	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+Cl"	34.969402
"1282137"	671.065702	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Cl"	34.969402
"25791"	1309.141206	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M-2H+K"	36.948606
"465352"	1945.237506	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M-2H+K"	36.948606
"840968"	673.044906	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-2H+K"	36.948606
"1560081"	673.044906	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+K-2H"	36.948606
"954524"	681.094494	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-H+HCOOH"	44.998194
"365086"	1317.190801	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+HCOOH-H"	44.998201
"350064"	1331.206451	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+Hac-H"	59.013851
"1495617"	695.110151	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Hac-H"	59.013851
"965346"	703.076451	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-H+NaCOOH"	66.980151
"116439"	671.065702	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+2Cl"	69.938804
"556002"	989.113852	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+2Cl"	69.938804
"1030269"	353.017552	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2Cl"	69.938804
"1244381"	715.015185	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Br"	78.918885
"1309016"	717.071172	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Cl+HCOOH"	80.974872
"1328700"	739.053129	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Cl+NaCOOH"	102.956829
"918664"	749.081886	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M-H+CF3COOH"	112.985586
"1301571"	785.058564	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Cl+CF3COOH"	148.962264
"1380707"	601.083624	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H-2H2O"	-35.012676
"1393223"	619.0936	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H-H2O"	-17.0027
"290724"	1273.199876	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+H"	1.007276
"687155"	1909.296176	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+H"	1.007276
"1357305"	637.103576	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H"	1.007276
"136756"	637.103576	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+2H"	2.014552
"573036"	955.151726	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+2H"	2.014552
"1046207"	319.055426	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2H"	2.014552
"210828"	425.071476	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+3H"	3.021828
"649297"	637.103576	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+3H"	3.021828
"1165600"	213.039376	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+3H"	3.021828
"427414"	1290.226423	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+NH4"	18.033823
"788414"	1926.322723	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+NH4"	18.033823
"1684377"	654.130123	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+NH4"	18.033823
"331194"	645.6168495	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+H+NH4"	19.041099
"726168"	963.6649995	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+H+NH4"	19.041099
"1479623"	327.5686995	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H+NH4"	19.041099
"394777"	1295.181818	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+Na"	22.989218
"756380"	1931.278118	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+Na"	22.989218
"1605209"	659.085518	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Na"	22.989218
"315247"	648.094547	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+H+Na"	23.996494
"708764"	966.142697	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+H+Na"	23.996494
"1463315"	330.046397	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H+Na"	23.996494
"1055589"	220.36669	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2H+Na"	25.00377
"1261520"	669.129786	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+CH3OH+H"	33.033486
"384468"	1311.155758	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+K"	38.963158
"739996"	1947.252058	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+K"	38.963158
"1544236"	675.059458	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+K"	38.963158
"302507"	656.081517	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+H+K"	39.970434
"691646"	974.129667	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+H+K"	39.970434
"1447291"	338.033367	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H+K"	39.970434
"237475"	1314.226426	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+ACN+H"	42.033826
"1215533"	678.130126	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+ACN+H"	42.033826
"1202697"	339.568701	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+ACN+2H"	43.041102
"196661"	1317.16376	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+2Na-H"	44.97116
"638411"	1953.26006	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+2Na-H"	44.97116
"1136450"	681.06746	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2Na-H"	44.97116
"184113"	659.085518	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+2Na"	45.978436
"620393"	977.133668	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+2Na"	45.978436
"1120619"	341.037368	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2Na"	45.978436
"1404141"	227.694004	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H+2Na"	46.985712
"1432610"	683.109046	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H+HCOOH"	47.012746
"223036"	664.11854	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+3H2O+2H"	56.04448
"1510367"	697.16109	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+IsoProp+H"	61.06479
"418076"	667.072488	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+Na+K"	61.952376
"779073"	985.120638	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+Na+K"	61.952376
"1669206"	349.024338	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Na+K"	61.952376
"254263"	1336.208368	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+ACN+Na"	64.015768
"1227701"	700.112068	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+ACN+Na"	64.015768
"1714042"	700.135593	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+NH4+HCOOH"	64.039293
"1180855"	235.021318	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+3Na"	68.967654
"1650543"	705.090988	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Na+HCOOH"	68.994688
"164546"	1349.11164	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+2K-H"	76.91904
"598997"	1985.20794	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+2K-H"	76.91904
"1086063"	713.01534	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2K-H"	76.91904
"142394"	675.059458	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"2M+2K"	77.926316
"586085"	993.107608	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"3M+2K"	77.926316
"1071692"	357.011308	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2K"	77.926316
"1109275"	715.029892	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2K+H"	78.933592
"1345662"	715.117507	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+DMSO+H"	79.021207
"1017474"	719.156676	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2ACN+H"	83.060376
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"1002781"	360.081976	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+2ACN+2H"	84.067652
"1602024"	721.064928	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+K+HCOOH"	84.968628
"1428412"	751.096438	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+H+CF3COOH"	115.000138
"1154692"	380.595251	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+3ACN+2H"	125.094202
"1707524"	768.122985	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+NH4+CF3COOH"	132.026685
"1643173"	773.07838	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+Na+CF3COOH"	136.98208
"1577730"	789.05232	"C04360"	"1-O2-O6-O-Trigalloyl-beta-D-glucose;126-Trigalloylglucose"	"C27H24O18"	"636.0963"	"M+K+CF3COOH"	152.95602
"809189"	212.0321	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M"	0
"987832"	193.01371	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-H2O-H"	-19.01839
"76440"	140.347457333333	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M-3H"	-3.021828
"508346"	211.024824	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M-3H"	-3.021828
"894897"	69.6700906666667	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-3H"	-3.021828
"3993"	211.024824	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M-2H"	-2.014552
"445381"	317.040874	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M-2H"	-2.014552
"831928"	105.008774	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-2H"	-2.014552
"86454"	423.056924	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M-H"	-1.007276
"524921"	635.089024	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M-H"	-1.007276
"899440"	211.024824	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-H"	-1.007276
"49442"	440.083471	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M-2H+NH4"	16.019271
"494469"	652.115571	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M-2H+NH4"	16.019271
"870082"	228.051371	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-2H+NH4"	16.019271
"36160"	445.038866	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M-2H+Na"	20.974666
"474626"	657.070966	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M-2H+Na"	20.974666
"852429"	233.006766	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-2H+Na"	20.974666
"1624880"	233.006766	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Na-2H"	20.974666
"102503"	229.013163	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M-H+Cl"	33.962126
"540970"	335.029213	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M-H+Cl"	33.962126
"940691"	122.997113	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-H+Cl"	33.962126
"278518"	459.033602	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+Cl"	34.969402
"665474"	671.065702	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+Cl"	34.969402
"1273986"	247.001502	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Cl"	34.969402
"29181"	461.012806	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M-2H+K"	36.948606
"463274"	673.044906	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M-2H+K"	36.948606
"838889"	248.980706	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-2H+K"	36.948606
"1560191"	248.980706	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+K-2H"	36.948606
"951354"	257.030294	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-H+HCOOH"	44.998194
"371755"	469.062401	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+HCOOH-H"	44.998201
"349079"	483.078051	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+Hac-H"	59.013851
"1501195"	271.045951	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Hac-H"	59.013851
"966548"	279.012251	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-H+NaCOOH"	66.980151
"118737"	247.001502	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+2Cl"	69.938804
"552221"	353.017552	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+2Cl"	69.938804
"1025275"	140.985452	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2Cl"	69.938804
"1241936"	290.950985	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Br"	78.918885
"1306939"	293.006972	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Cl+HCOOH"	80.974872
"1329905"	314.988929	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Cl+NaCOOH"	102.956829
"918778"	325.017686	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M-H+CF3COOH"	112.985586
"1293297"	360.994364	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Cl+CF3COOH"	148.962264
"1370369"	177.019424	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H-2H2O"	-35.012676
"1388958"	195.0294	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H-H2O"	-17.0027
"289739"	425.071476	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+H"	1.007276
"685438"	637.103576	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+H"	1.007276
"1355228"	213.039376	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H"	1.007276
"127384"	213.039376	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+2H"	2.014552
"569133"	319.055426	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+2H"	2.014552
"1038294"	107.023326	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2H"	2.014552
"205466"	142.362009333333	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+3H"	3.021828
"644666"	213.039376	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+3H"	3.021828
"1166074"	71.6846426666667	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+3H"	3.021828
"424728"	442.098023	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+NH4"	18.033823
"788155"	654.130123	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+NH4"	18.033823
"1683027"	230.065923	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+NH4"	18.033823
"331302"	221.5526495	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+H+NH4"	19.041099
"723112"	327.5686995	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+H+NH4"	19.041099
"1477419"	115.5365995	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H+NH4"	19.041099
"394769"	447.053418	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+Na"	22.989218
"755522"	659.085518	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+Na"	22.989218
"1604955"	235.021318	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Na"	22.989218
"315112"	224.030347	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+H+Na"	23.996494
"709604"	330.046397	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+H+Na"	23.996494
"1464519"	118.014297	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H+Na"	23.996494
"1055578"	79.0119566666667	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2H+Na"	25.00377
"1257373"	245.065586	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+CH3OH+H"	33.033486
"378380"	463.027358	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+K"	38.963158
"740107"	675.059458	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+K"	38.963158
"1540695"	250.995258	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+K"	38.963158
"300430"	232.017317	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+H+K"	39.970434
"691630"	338.033367	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+H+K"	39.970434
"1447401"	126.001267	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H+K"	39.970434
"237464"	466.098026	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+ACN+H"	42.033826
"1215643"	254.065926	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+ACN+H"	42.033826
"1198067"	127.536601	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+ACN+2H"	43.041102
"193491"	469.03536	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+2Na-H"	44.97116
"640708"	681.06746	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+2Na-H"	44.97116
"1135831"	257.00326	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2Na-H"	44.97116
"175472"	235.021318	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+2Na"	45.978436
"620502"	341.037368	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+2Na"	45.978436
"1122915"	129.005268	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2Na"	45.978436
"1404253"	86.3392706666667	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H+2Na"	46.985712
"1434180"	259.044846	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H+HCOOH"	47.012746
"228254"	240.05434	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+3H2O+2H"	56.04448
"1517408"	273.09689	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+IsoProp+H"	61.06479
"418188"	243.008288	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+Na+K"	61.952376
"773351"	349.024338	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+Na+K"	61.952376
"1667130"	136.992238	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Na+K"	61.952376
"253648"	488.079968	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+ACN+Na"	64.015768
"1227085"	276.047868	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+ACN+Na"	64.015768
"1717071"	276.071393	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+NH4+HCOOH"	64.039293
"1183519"	93.6665846666667	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+3Na"	68.967654
"1654141"	281.026788	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Na+HCOOH"	68.994688
"163555"	500.98324	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+2K-H"	76.91904
"600927"	713.01534	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+2K-H"	76.91904
"1090910"	288.95114	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2K-H"	76.91904
"145540"	250.995258	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"2M+2K"	77.926316
"589473"	357.011308	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"3M+2K"	77.926316
"1070707"	144.979208	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2K"	77.926316
"1106105"	290.965692	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2K+H"	78.933592
"1338116"	291.053307	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+DMSO+H"	79.021207
"1016124"	295.092476	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2ACN+H"	83.060376
"1532428"	296.086108	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+IsoProp+Na+H"	84.054008
"998880"	148.049876	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+2ACN+2H"	84.067652
"1591197"	297.000728	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+K+HCOOH"	84.968628
"1421232"	327.032238	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+H+CF3COOH"	115.000138
"1154799"	168.563151	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+3ACN+2H"	125.094202
"1704352"	344.058785	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+NH4+CF3COOH"	132.026685
"1636723"	349.01418	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+Na+CF3COOH"	136.98208
"1581122"	364.98812	"C04366"	"3-(2-Carboxyethenyl)-ciscis-muconate"	"C9H8O6"	"212.0321"	"M+K+CF3COOH"	152.95602
"808206"	433.8512	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M"	0
"988672"	414.83281	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-H2O-H"	-19.01839
"76549"	288.226857333333	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M-3H"	-3.021828
"515017"	432.843924	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M-3H"	-3.021828
"892822"	143.609790666667	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-3H"	-3.021828
"12492"	432.843924	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M-2H"	-2.014552
"443305"	649.769524	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M-2H"	-2.014552
"832719"	215.918324	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-2H"	-2.014552
"83285"	866.695124	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M-H"	-1.007276
"521022"	1300.546324	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M-H"	-1.007276
"898458"	432.843924	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-H"	-1.007276
"49552"	883.721671	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M-2H+NH4"	16.019271
"492392"	1317.572871	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M-2H+NH4"	16.019271
"866912"	449.870471	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-2H+NH4"	16.019271
"38094"	888.677066	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M-2H+Na"	20.974666
"476560"	1322.528266	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M-2H+Na"	20.974666
"854726"	454.825866	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-2H+Na"	20.974666
"1626085"	454.825866	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Na-2H"	20.974666
"101520"	450.832263	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M-H+Cl"	33.962126
"542173"	667.757863	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M-H+Cl"	33.962126
"938979"	233.906663	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-H+Cl"	33.962126
"275348"	902.671802	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+Cl"	34.969402
"671052"	1336.523002	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+Cl"	34.969402
"1282362"	468.820602	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Cl"	34.969402
"23826"	904.651006	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M-2H+K"	36.948606
"463386"	1338.502206	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M-2H+K"	36.948606
"841187"	470.799806	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-2H+K"	36.948606
"1565769"	470.799806	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+K-2H"	36.948606
"953652"	478.849394	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-H+HCOOH"	44.998194
"363117"	912.700601	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+HCOOH-H"	44.998201
"350285"	926.716251	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+Hac-H"	59.013851
"1503490"	492.865051	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Hac-H"	59.013851
"968846"	500.831351	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-H+NaCOOH"	66.980151
"118846"	468.820602	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+2Cl"	69.938804
"556221"	685.746202	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+2Cl"	69.938804
"1026115"	251.895002	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2Cl"	69.938804
"1245694"	512.770085	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Br"	78.918885
"1309237"	514.826072	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Cl+HCOOH"	80.974872
"1331108"	536.808029	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Cl+NaCOOH"	102.956829
"918889"	546.836786	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M-H+CF3COOH"	112.985586
"1291224"	582.813464	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Cl+CF3COOH"	148.962264
"1371572"	398.838524	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H-2H2O"	-35.012676
"1385788"	416.8485	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H-H2O"	-17.0027
"288756"	868.709676	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+H"	1.007276
"684458"	1302.560876	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+H"	1.007276
"1357525"	434.858476	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H"	1.007276
"127862"	434.858476	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+2H"	2.014552
"571065"	651.784076	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+2H"	2.014552
"1039498"	217.932876	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2H"	2.014552
"205574"	290.241409333333	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+3H"	3.021828
"645140"	434.858476	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+3H"	3.021828
"1167645"	145.624342666667	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+3H"	3.021828
"425811"	885.736223	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+NH4"	18.033823
"787901"	1319.587423	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+NH4"	18.033823
"1687150"	451.885023	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+NH4"	18.033823
"331051"	443.3717495	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+H+NH4"	19.041099
"723834"	660.2973495	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+H+NH4"	19.041099
"1478745"	226.4461495	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H+NH4"	19.041099
"400348"	890.691618	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+Na"	22.989218
"755878"	1324.542818	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+Na"	22.989218
"1604701"	456.840418	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Na"	22.989218
"314539"	445.849447	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+H+Na"	23.996494
"708621"	662.775047	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+H+Na"	23.996494
"1464629"	228.923847	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H+Na"	23.996494
"1053743"	152.951656666667	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2H+Na"	25.00377
"1259551"	466.884686	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+CH3OH+H"	33.033486
"379221"	906.665558	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+K"	38.963158
"741313"	1340.516758	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+K"	38.963158
"1539877"	472.814358	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+K"	38.963158
"299202"	453.836417	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+H+K"	39.970434
"695151"	670.762017	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+H+K"	39.970434
"1449335"	236.910817	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H+K"	39.970434
"237210"	909.736226	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+ACN+H"	42.033826
"1215753"	475.885026	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+ACN+H"	42.033826
"1201823"	238.446151	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+ACN+2H"	43.041102
"194694"	912.67356	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+2Na-H"	44.97116
"639723"	1346.52476	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+2Na-H"	44.97116
"1142137"	478.82236	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2Na-H"	44.97116
"177044"	456.840418	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+2Na"	45.978436
"626931"	673.766018	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+2Na"	45.978436
"1127399"	239.914818	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2Na"	45.978436
"1405455"	160.278970666667	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H+2Na"	46.985712
"1434290"	480.863946	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H+HCOOH"	47.012746
"229458"	461.87344	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+3H2O+2H"	56.04448
"1517518"	494.91599	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+IsoProp+H"	61.06479
"417205"	464.827388	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+Na+K"	61.952376
"772368"	681.752988	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+Na+K"	61.952376
"1666876"	247.901788	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Na+K"	61.952376
"253030"	931.718168	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+ACN+Na"	64.015768
"1226587"	497.866968	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+ACN+Na"	64.015768
"1717184"	497.890493	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+NH4+HCOOH"	64.039293
"1181806"	167.606284666667	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+3Na"	68.967654
"1654616"	502.845888	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Na+HCOOH"	68.994688
"164759"	944.62144	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+2K-H"	76.91904
"600308"	1378.47264	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+2K-H"	76.91904
"1092112"	510.77024	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2K-H"	76.91904
"145647"	472.814358	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"2M+2K"	77.926316
"584112"	689.739958	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"3M+2K"	77.926316
"1071909"	255.888758	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2K"	77.926316
"1100868"	512.784792	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2K+H"	78.933592
"1339315"	512.872407	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+DMSO+H"	79.021207
"1007845"	516.911576	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2ACN+H"	83.060376
"1529253"	517.905208	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+IsoProp+Na+H"	84.054008
"995703"	258.959426	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+2ACN+2H"	84.067652
"1596772"	518.819828	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+K+HCOOH"	84.968628
"1427900"	548.851338	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+H+CF3COOH"	115.000138
"1154908"	279.472701	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+3ACN+2H"	125.094202
"1700087"	565.877885	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+NH4+CF3COOH"	132.026685
"1636833"	570.83328	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+Na+CF3COOH"	136.98208
"1581232"	586.80722	"C04367"	"3-(35-Diiodo-4-hydroxyphenyl)lactate"	"C9H8I2O4"	"433.8512"	"M+K+CF3COOH"	152.95602
"808316"	181.0739	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M"	0
"988417"	162.05551	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"76658"	119.708657333333	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"517313"	180.066624	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"895123"	59.3506906666667	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"11509"	180.066624	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"449975"	270.603574	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"832398"	89.529674	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"85582"	361.140524	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"522956"	542.214424	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"901847"	180.066624	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"56222"	378.167071	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"495781"	559.240971	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"867022"	197.093171	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"38204"	383.122466	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"477764"	564.196366	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"854473"	202.048566	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1628382"	202.048566	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"103817"	198.054963	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"540096"	288.591913	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"939088"	107.518013	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"272179"	397.117202	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"671162"	578.191102	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1282472"	216.043302	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"25029"	399.096406	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"469329"	580.170306	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"844578"	218.022506	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1566974"	218.022506	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"953764"	226.072094	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"362011"	407.146001	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"353675"	421.161651	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1503601"	240.087751	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"970049"	248.054051	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"122238"	216.043302	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"557424"	306.580252	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1029505"	125.506352	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1253458"	259.992785	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1311533"	262.048772	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1327939"	284.030729	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"918999"	294.059486	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1293521"	330.036164	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1371681"	146.061224	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1390271"	164.0712	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"291053"	363.155076	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"683475"	544.228976	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1351802"	182.081176	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"127970"	182.081176	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"574457"	272.618126	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1040702"	91.544226	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"205078"	121.723209333333	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"646711"	182.081176	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1167756"	61.3652426666667	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"425555"	380.181623	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"786549"	561.255523	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1686166"	199.107723	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"330793"	190.5944495	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"723944"	281.1313995	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1480687"	100.0574995	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"394263"	385.137018	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"757082"	566.210918	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1604085"	204.063118	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"314517"	193.072147	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"712012"	283.609097	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1468021"	102.535197	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1055800"	68.6925566666667	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1258692"	214.107386	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"378483"	401.110958	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"743613"	582.184858	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1541287"	220.037058	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"302840"	201.059117	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"696356"	291.596067	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1450176"	110.522167	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"239873"	404.181626	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1218050"	223.107726	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1201933"	112.057501	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"199178"	407.11896	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"640927"	588.19286	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1140059"	226.04506	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"182255"	204.063118	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"627649"	294.600068	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1120948"	113.526168	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1404471"	76.0198706666667	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1437679"	228.086646	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"233941"	209.09614	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1522003"	242.13869	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"417315"	212.050088	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"774665"	302.587038	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1666013"	121.513138	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"253869"	426.163568	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1225927"	245.089668	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1718750"	245.113193	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1179732"	83.3471846666667	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1655090"	250.068588	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"162681"	439.06684	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"598960"	620.14074	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1088577"	257.99294	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"142353"	220.037058	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"583858"	310.574008	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1068979"	129.500108	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1100857"	260.007492	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1336874"	260.095107	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1005890"	264.134276	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1528270"	265.127908	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"993626"	132.570776	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1599070"	266.042528	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1428861"	296.074038	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1152832"	153.084051	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1702384"	313.100585	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1636943"	318.05598	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1581342"	334.02992	"C04368"	"3-Amino-3-(4-hydroxyphenyl)propanoate;beta-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"815719"	151.9966	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M"	0
"988895"	132.97821	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-H2O-H"	-19.01839
"77865"	100.323790666667	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M-3H"	-3.021828
"511956"	150.989324	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M-3H"	-3.021828
"894987"	49.6582573333333	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-3H"	-3.021828
"6154"	150.989324	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M-2H"	-2.014552
"442795"	226.987624	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M-2H"	-2.014552
"824608"	74.991024	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-2H"	-2.014552
"85693"	302.985924	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M-H"	-1.007276
"526347"	454.982524	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M-H"	-1.007276
"900866"	150.989324	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-H"	-1.007276
"54146"	320.012471	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M-2H+NH4"	16.019271
"496986"	472.009071	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M-2H+NH4"	16.019271
"874788"	168.015871	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-2H+NH4"	16.019271
"40501"	324.967866	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M-2H+Na"	20.974666
"477874"	476.964466	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M-2H+Na"	20.974666
"856770"	172.971266	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-2H+Na"	20.974666
"1628492"	172.971266	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Na-2H"	20.974666
"102837"	168.977663	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M-H+Cl"	33.962126
"542394"	244.975963	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M-H+Cl"	33.962126
"939198"	92.979363	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-H+Cl"	33.962126
"272289"	338.962602	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+Cl"	34.969402
"669085"	490.959202	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+Cl"	34.969402
"1276021"	186.966002	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Cl"	34.969402
"29151"	340.941806	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M-2H+K"	36.948606
"469806"	492.938406	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M-2H+K"	36.948606
"846878"	188.945206	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-2H+K"	36.948606
"1569272"	188.945206	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+K-2H"	36.948606
"953874"	196.994794	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-H+HCOOH"	44.998194
"373181"	348.991401	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+HCOOH-H"	44.998201
"357066"	363.007051	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+Hac-H"	59.013851
"1501523"	211.010451	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Hac-H"	59.013851
"967970"	218.976751	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-H+NaCOOH"	66.980151
"120159"	186.966002	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+2Cl"	69.938804
"563002"	262.964302	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+2Cl"	69.938804
"1027428"	110.967702	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2Cl"	69.938804
"1250289"	230.915485	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Br"	78.918885
"1316020"	232.971472	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Cl+HCOOH"	80.974872
"1330235"	254.953429	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Cl+NaCOOH"	102.956829
"921296"	264.982186	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M-H+CF3COOH"	112.985586
"1296910"	300.958864	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Cl+CF3COOH"	148.962264
"1378353"	116.983924	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H-2H2O"	-35.012676
"1392571"	134.9939	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H-H2O"	-17.0027
"288976"	305.000476	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+H"	1.007276
"680669"	456.997076	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+H"	1.007276
"1357747"	153.003876	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H"	1.007276
"130634"	153.003876	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+2H"	2.014552
"569097"	229.002176	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+2H"	2.014552
"1040811"	77.005576	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2H"	2.014552
"208720"	102.338342666667	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+3H"	3.021828
"653021"	153.003876	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+3H"	3.021828
"1174066"	51.6728093333333	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+3H"	3.021828
"426760"	322.027023	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+NH4"	18.033823
"789579"	474.023623	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+NH4"	18.033823
"1685547"	170.030423	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+NH4"	18.033823
"334553"	161.5171495	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+H+NH4"	19.041099
"729161"	237.5154495	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+H+NH4"	19.041099
"1481889"	85.5188495	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H+NH4"	19.041099
"400569"	326.982418	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+Na"	22.989218
"759378"	478.979018	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+Na"	22.989218
"1604198"	174.985818	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Na"	22.989218
"317515"	163.994847	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+H+Na"	23.996494
"711032"	239.993147	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+H+Na"	23.996494
"1467039"	87.996547	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H+Na"	23.996494
"1055910"	59.0001233333333	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2H+Na"	25.00377
"1259776"	185.030086	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+CH3OH+H"	33.033486
"379444"	342.956358	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+K"	38.963158
"741536"	494.952958	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+K"	38.963158
"1543589"	190.959758	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+K"	38.963158
"304047"	171.981817	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+H+K"	39.970434
"696466"	247.980117	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+H+K"	39.970434
"1456850"	95.983517	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H+K"	39.970434
"246545"	346.027026	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+ACN+H"	42.033826
"1219253"	194.030426	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+ACN+H"	42.033826
"1208120"	97.518851	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+ACN+2H"	43.041102
"199291"	348.96436	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+2Na-H"	44.97116
"641769"	500.96096	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+2Na-H"	44.97116
"1140171"	196.96776	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2Na-H"	44.97116
"177994"	174.985818	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+2Na"	45.978436
"621928"	250.984118	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+2Na"	45.978436
"1125433"	98.987518	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2Na"	45.978436
"1408957"	66.3274373333333	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H+2Na"	46.985712
"1436697"	199.009346	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H+HCOOH"	47.012746
"234053"	180.01884	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+3H2O+2H"	56.04448
"1521020"	213.06139	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+IsoProp+H"	61.06479
"419613"	182.972788	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+Na+K"	61.952376
"780608"	258.971088	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+Na+K"	61.952376
"1673658"	106.974488	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Na+K"	61.952376
"255439"	368.008968	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+ACN+Na"	64.015768
"1229607"	216.012368	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+ACN+Na"	64.015768
"1720688"	216.035893	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+NH4+HCOOH"	64.039293
"1179842"	73.6547513333333	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+3Na"	68.967654
"1654474"	220.991288	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Na+HCOOH"	68.994688
"161702"	380.91224	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+2K-H"	76.91904
"598346"	532.90884	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+2K-H"	76.91904
"1085048"	228.91564	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2K-H"	76.91904
"142589"	190.959758	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"2M+2K"	77.926316
"582633"	266.958058	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"3M+2K"	77.926316
"1071039"	114.961458	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2K"	77.926316
"1103155"	230.930192	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2K+H"	78.933592
"1339540"	231.017807	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+DMSO+H"	79.021207
"1013538"	235.056976	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2ACN+H"	83.060376
"1528384"	236.050608	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+IsoProp+Na+H"	84.054008
"998113"	118.032126	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+2ACN+2H"	84.067652
"1595898"	236.965228	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+K+HCOOH"	84.968628
"1424839"	266.996738	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+H+CF3COOH"	115.000138
"1151848"	138.545401	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+3ACN+2H"	125.094202
"1700307"	284.023285	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+NH4+CF3COOH"	132.026685
"1637053"	288.97868	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+Na+CF3COOH"	136.98208
"1581452"	304.95262	"C04371"	"3-Mercapto-2-mercaptomethylpropanoate"	"C4H8O2S2"	"151.9966"	"M+K+CF3COOH"	152.95602
"805257"	290.2246	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M"	0
"985355"	271.20621	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"74691"	192.475790666667	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"513159"	289.217324	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"893152"	95.7342573333333	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"1890"	289.217324	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"444728"	434.329624	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"820343"	144.105024	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"87989"	579.441924	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"523176"	869.666524	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"903162"	289.217324	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"54620"	596.468471	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"496002"	886.693071	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"874898"	306.243871	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"39519"	601.423866	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"483453"	891.648466	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"860164"	311.199266	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1628606"	311.199266	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"99668"	307.205663	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"544697"	452.317963	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"929469"	162.093363	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"267159"	615.418602	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"662635"	905.643202	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1273699"	325.194002	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"16985"	617.397806	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"457155"	907.622406	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"838237"	327.173206	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1566101"	327.173206	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"951798"	335.222794	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"367825"	625.447401	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"357177"	639.463051	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1500540"	349.238451	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"970998"	357.204751	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"118082"	325.194002	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"556552"	470.306302	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1023527"	180.081702	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1249305"	369.143485	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1313943"	371.199472	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1325974"	393.181429	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"915939"	403.210186	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1292649"	439.186864	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1376276"	255.211924	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1394869"	273.2219	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"286171"	581.456476	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"681510"	871.681076	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1352754"	291.231876	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"126370"	291.231876	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"566416"	436.344176	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1043482"	146.119576	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"213572"	194.490342666667	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"650945"	291.231876	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1164692"	97.7488093333333	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"426870"	598.483023	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"787866"	888.707623	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1682372"	308.258423	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"335756"	299.7451495	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"728178"	444.8574495	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1478717"	154.6328495	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"395211"	603.438418	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"755236"	893.663018	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1603333"	313.213818	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"315433"	302.222847	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"707736"	447.335147	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1466056"	157.110547	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1054929"	105.076123333333	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1258426"	323.258086	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"380649"	619.412358	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"743834"	909.636958	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1543697"	329.187758	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"305246"	310.209817	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"696578"	455.322117	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1451494"	165.097517	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"244470"	622.483026	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1217181"	332.258426	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1201064"	166.632851	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"201587"	625.42036	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"638962"	915.64496	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1140281"	335.19576	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"179197"	313.213818	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"624954"	458.326118	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1125544"	168.101518	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1409067"	112.403437333333	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1443738"	337.237346	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"234163"	318.24684	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1522958"	351.28939	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"420818"	321.200788	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"783515"	466.313088	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1670853"	176.088488	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"259199"	644.464968	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1230816"	354.240368	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1720798"	354.263893	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1182872"	119.730751333333	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1652030"	359.219288	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"159256"	657.36824	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"598818"	947.59284	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1085882"	367.14364	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"143426"	329.187758	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"581399"	474.300058	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1069324"	184.075458	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1101197"	369.158192	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1340745"	369.245807	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1008183"	373.284976	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1530682"	374.278608	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"1000411"	187.146126	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1598195"	375.193228	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1423856"	405.224738	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1149770"	207.659401	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1700418"	422.251285	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1637163"	427.20668	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1581562"	443.18062	"C04373"	"Etiocholanolone;3alpha-Hydroxy-5beta-androstan-17-one;Etiocholan-3alpha-ol-17-one;3alpha-Hydroxyetiocholan-17-one"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"816771"	314.0515	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M"	0
"985466"	295.03311	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-H2O-H"	-19.01839
"74801"	208.360390666667	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M-3H"	-3.021828
"516555"	313.044224	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M-3H"	-3.021828
"892171"	103.676557333333	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-3H"	-3.021828
"4186"	313.044224	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M-2H"	-2.014552
"448118"	470.069974	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M-2H"	-2.014552
"823733"	156.018474	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-2H"	-2.014552
"88099"	627.095724	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M-H"	-1.007276
"524378"	941.147224	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M-H"	-1.007276
"906552"	313.044224	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-H"	-1.007276
"53274"	644.122271	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M-2H+NH4"	16.019271
"494290"	958.173771	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M-2H+NH4"	16.019271
"875008"	330.070771	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-2H+NH4"	16.019271
"38536"	649.077666	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M-2H+Na"	20.974666
"484657"	963.129166	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M-2H+Na"	20.974666
"860273"	335.026166	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-2H+Na"	20.974666
"1629810"	335.026166	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Na-2H"	20.974666
"104153"	331.032563	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M-H+Cl"	33.962126
"543715"	488.058313	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M-H+Cl"	33.962126
"930673"	174.006813	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-H+Cl"	33.962126
"268860"	663.072402	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+Cl"	34.969402
"663109"	977.123902	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+Cl"	34.969402
"1277336"	349.020902	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Cl"	34.969402
"22080"	665.051606	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M-2H+K"	36.948606
"463827"	979.103106	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M-2H+K"	36.948606
"841631"	351.000106	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-2H+K"	36.948606
"1557100"	351.000106	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+K-2H"	36.948606
"953001"	359.049694	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-H+HCOOH"	44.998194
"366842"	673.101201	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+HCOOH-H"	44.998201
"352912"	687.116851	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+Hac-H"	59.013851
"1503931"	373.065351	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Hac-H"	59.013851
"968192"	381.031651	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-H+NaCOOH"	66.980151
"116007"	349.020902	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+2Cl"	69.938804
"555570"	506.046652	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+2Cl"	69.938804
"1026557"	191.995152	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2Cl"	69.938804
"1245403"	392.970385	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Br"	78.918885
"1310769"	395.026372	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Cl+HCOOH"	80.974872
"1332642"	417.008329	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Cl+NaCOOH"	102.956829
"922246"	427.037086	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M-H+CF3COOH"	112.985586
"1297132"	463.013764	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Cl+CF3COOH"	148.962264
"1373106"	279.038824	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H-2H2O"	-35.012676
"1393886"	297.0488	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H-H2O"	-17.0027
"286279"	629.110276	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+H"	1.007276
"679792"	943.161776	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+H"	1.007276
"1353591"	315.058776	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H"	1.007276
"127207"	315.058776	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+2H"	2.014552
"566890"	472.084526	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+2H"	2.014552
"1039582"	158.033026	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2H"	2.014552
"210402"	210.374942666667	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+3H"	3.021828
"648139"	315.058776	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+3H"	3.021828
"1168089"	105.691109333333	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+3H"	3.021828
"429534"	646.136823	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+NH4"	18.033823
"790163"	960.188323	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+NH4"	18.033823
"1685036"	332.085323	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+NH4"	18.033823
"330638"	323.5720495	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+H+NH4"	19.041099
"723664"	480.5977995	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+H+NH4"	19.041099
"1477485"	166.5462995	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H+NH4"	19.041099
"393372"	651.092218	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+Na"	22.989218
"755346"	965.143718	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+Na"	22.989218
"1604054"	337.040718	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Na"	22.989218
"314326"	326.049747	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+H+Na"	23.996494
"711252"	483.075497	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+H+Na"	23.996494
"1469446"	169.023997	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H+Na"	23.996494
"1056130"	113.018423333333	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2H+Na"	25.00377
"1262182"	347.084986	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+CH3OH+H"	33.033486
"382947"	667.066158	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+K"	38.963158
"745037"	981.117658	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+K"	38.963158
"1548185"	353.014658	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+K"	38.963158
"304267"	334.036717	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+H+K"	39.970434
"699969"	491.062467	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+H+K"	39.970434
"1454884"	177.010967	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H+K"	39.970434
"246767"	670.136826	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+ACN+H"	42.033826
"1217291"	356.085326	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+ACN+H"	42.033826
"1202267"	178.546301	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+ACN+2H"	43.041102
"203646"	673.07416	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+2Na-H"	44.97116
"642354"	987.12566	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+2Na-H"	44.97116
"1142581"	359.02266	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2Na-H"	44.97116
"182589"	337.040718	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+2Na"	45.978436
"623242"	494.066468	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+2Na"	45.978436
"1128935"	180.014968	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2Na"	45.978436
"1412458"	120.345737333333	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H+2Na"	46.985712
"1443119"	361.064246	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H+HCOOH"	47.012746
"233178"	342.07374	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+3H2O+2H"	56.04448
"1522336"	375.11629	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+IsoProp+H"	61.06479
"419836"	345.027688	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+Na+K"	61.952376
"776089"	502.053438	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+Na+K"	61.952376
"1669503"	188.001938	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Na+K"	61.952376
"258216"	692.118768	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+ACN+Na"	64.015768
"1230926"	378.067268	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+ACN+Na"	64.015768
"1719815"	378.090793	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+NH4+HCOOH"	64.039293
"1182982"	127.673051333333	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+3Na"	68.967654
"1652505"	383.046188	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Na+HCOOH"	68.994688
"159366"	705.02204	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+2K-H"	76.91904
"598440"	1019.07354	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+2K-H"	76.91904
"1085261"	390.97054	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2K-H"	76.91904
"142933"	353.014658	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"2M+2K"	77.926316
"582611"	510.040408	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"3M+2K"	77.926316
"1070166"	195.988908	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2K"	77.926316
"1100942"	392.985092	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2K+H"	78.933592
"1339763"	393.072707	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+DMSO+H"	79.021207
"1006953"	397.111876	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2ACN+H"	83.060376
"1534073"	398.105508	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+IsoProp+Na+H"	84.054008
"1000521"	199.059576	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+2ACN+2H"	84.067652
"1598306"	399.020128	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+K+HCOOH"	84.968628
"1418497"	429.051638	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+H+CF3COOH"	115.000138
"1155351"	219.572851	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+3ACN+2H"	125.094202
"1702716"	446.078185	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+NH4+CF3COOH"	132.026685
"1637273"	451.03358	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+Na+CF3COOH"	136.98208
"1581674"	467.00752	"C04376"	"5-Phosphoribosyl-N-formylglycinamide;N-Formyl-GAR;N-Formylglycinamide ribonucleotide;N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide"	"C8H15N2O9P"	"314.0515"	"M+K+CF3COOH"	152.95602
"808758"	788.263	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M"	0
"987763"	769.24461	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-H2O-H"	-19.01839
"74911"	524.501390666667	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M-3H"	-3.021828
"518086"	787.255724	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M-3H"	-3.021828
"884628"	261.747057333333	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-3H"	-3.021828
"8670"	787.255724	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M-2H"	-2.014552
"453696"	1181.387224	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M-2H"	-2.014552
"830405"	393.124224	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-2H"	-2.014552
"90397"	1575.518724	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M-H"	-1.007276
"526675"	2363.781724	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M-H"	-1.007276
"906663"	787.255724	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-H"	-1.007276
"55571"	1592.545271	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M-2H+NH4"	16.019271
"495129"	2380.808271	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M-2H+NH4"	16.019271
"875119"	804.282271	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-2H+NH4"	16.019271
"39740"	1597.500666	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M-2H+Na"	20.974666
"483673"	2385.763666	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M-2H+Na"	20.974666
"861114"	809.237666	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-2H+Na"	20.974666
"1628826"	809.237666	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Na-2H"	20.974666
"103169"	805.244063	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M-H+Cl"	33.962126
"546012"	1199.375563	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M-H+Cl"	33.962126
"931876"	411.112563	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-H+Cl"	33.962126
"272620"	1611.495402	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+Cl"	34.969402
"663576"	2399.758402	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+Cl"	34.969402
"1277446"	823.232402	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Cl"	34.969402
"22190"	1613.474606	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M-2H+K"	36.948606
"463937"	2401.737606	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M-2H+K"	36.948606
"842834"	825.211606	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-2H+K"	36.948606
"1557574"	825.211606	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+K-2H"	36.948606
"952017"	833.261194	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-H+HCOOH"	44.998194
"369139"	1621.524201	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+HCOOH-H"	44.998201
"349376"	1635.539851	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+Hac-H"	59.013851
"1497842"	847.276851	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Hac-H"	59.013851
"969395"	855.243151	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-H+NaCOOH"	66.980151
"113928"	823.232402	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+2Cl"	69.938804
"560053"	1217.363902	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+2Cl"	69.938804
"1026668"	429.100902	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2Cl"	69.938804
"1245151"	867.181885	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Br"	78.918885
"1307599"	869.237872	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Cl+HCOOH"	80.974872
"1328381"	891.219829	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Cl+NaCOOH"	102.956829
"922718"	901.248586	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M-H+CF3COOH"	112.985586
"1299429"	937.225264	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Cl+CF3COOH"	148.962264
"1371393"	753.250324	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H-2H2O"	-35.012676
"1389623"	771.2603	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H-H2O"	-17.0027
"292956"	1577.533276	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+H"	1.007276
"679174"	2365.796276	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+H"	1.007276
"1353701"	789.270276	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H"	1.007276
"126953"	789.270276	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+2H"	2.014552
"567246"	1183.401776	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+2H"	2.014552
"1043703"	395.138776	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2H"	2.014552
"211604"	526.515942666667	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+3H"	3.021828
"648249"	789.270276	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+3H"	3.021828
"1167106"	263.761609333333	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+3H"	3.021828
"429280"	1594.559823	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+NH4"	18.033823
"789545"	2382.822823	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+NH4"	18.033823
"1684418"	806.296823	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+NH4"	18.033823
"332696"	797.7835495	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+H+NH4"	19.041099
"725116"	1191.9150495	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+H+NH4"	19.041099
"1478208"	403.6520495	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H+NH4"	19.041099
"394338"	1599.515218	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+Na"	22.989218
"758617"	2387.778218	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+Na"	22.989218
"1604893"	811.252218	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Na"	22.989218
"315658"	800.261247	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+H+Na"	23.996494
"710269"	1194.392747	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+H+Na"	23.996494
"1467371"	406.129747	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H+Na"	23.996494
"1058427"	271.088923333333	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2H+Na"	25.00377
"1264481"	821.296486	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+CH3OH+H"	33.033486
"383057"	1615.489158	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+K"	38.963158
"748063"	2403.752158	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+K"	38.963158
"1550484"	827.226158	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+K"	38.963158
"304378"	808.248217	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+H+K"	39.970434
"696799"	1202.379717	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+H+K"	39.970434
"1453902"	414.116717	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H+K"	39.970434
"245784"	1618.559826	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+ACN+H"	42.033826
"1221776"	830.296826	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+ACN+H"	42.033826
"1205659"	415.652051	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+ACN+2H"	43.041102
"201808"	1621.49716	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+2Na-H"	44.97116
"643933"	2409.76016	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+2Na-H"	44.97116
"1146337"	833.23416	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2Na-H"	44.97116
"185980"	811.252218	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+2Na"	45.978436
"623353"	1205.383718	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+2Na"	45.978436
"1129045"	417.120718	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2Na"	45.978436
"1412568"	278.416237333333	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H+2Na"	46.985712
"1445173"	835.275746	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H+HCOOH"	47.012746
"233288"	816.28524	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+3H2O+2H"	56.04448
"1521353"	849.32779	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+IsoProp+H"	61.06479
"423833"	819.239188	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+Na+K"	61.952376
"777292"	1213.370688	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+Na+K"	61.952376
"1669614"	425.107688	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Na+K"	61.952376
"259419"	1640.541768	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+ACN+Na"	64.015768
"1232129"	852.278768	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+ACN+Na"	64.015768
"1721018"	852.302293	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+NH4+HCOOH"	64.039293
"1184187"	285.743551333333	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+3Na"	68.967654
"1652980"	857.257688	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Na+HCOOH"	68.994688
"160205"	1653.44504	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+2K-H"	76.91904
"599888"	2441.70804	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+2K-H"	76.91904
"1087197"	865.18204	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2K-H"	76.91904
"142796"	827.226158	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"2M+2K"	77.926316
"581748"	1221.357658	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"3M+2K"	77.926316
"1071369"	433.094658	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2K"	77.926316
"1100810"	867.196592	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2K+H"	78.933592
"1338172"	867.284207	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+DMSO+H"	79.021207
"1008158"	871.323376	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2ACN+H"	83.060376
"1534183"	872.317008	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+IsoProp+Na+H"	84.054008
"994070"	436.165326	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+2ACN+2H"	84.067652
"1597322"	873.231628	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+K+HCOOH"	84.968628
"1417514"	903.263138	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+H+CF3COOH"	115.000138
"1155461"	456.678601	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+3ACN+2H"	125.094202
"1702826"	920.289685	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+NH4+CF3COOH"	132.026685
"1637383"	925.24508	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+Na+CF3COOH"	136.98208
"1581784"	941.21902	"C04377"	"510-Methylenetetrahydromethanopterin;N5N10-Methylenetetrahydromethanopterin"	"C31H45N6O16P"	"788.263"	"M+K+CF3COOH"	152.95602
"808868"	347.0631	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M"	0
"987873"	328.04471	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H2O-H"	-19.01839
"73928"	230.368124	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-3H"	-3.021828
"514592"	346.055824	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-3H"	-3.021828
"894942"	114.680424	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-3H"	-3.021828
"5499"	346.055824	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H"	-2.014552
"451619"	519.587374	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H"	-2.014552
"827235"	172.524274	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H"	-2.014552
"88321"	693.118924	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H"	-1.007276
"524598"	1040.182024	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H"	-1.007276
"903493"	346.055824	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H"	-1.007276
"55681"	710.145471	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+NH4"	16.019271
"494146"	1057.208571	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+NH4"	16.019271
"874136"	363.082371	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+NH4"	16.019271
"42037"	715.100866	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+Na"	20.974666
"482690"	1062.163966	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+Na"	20.974666
"861224"	368.037766	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+Na"	20.974666
"1627843"	368.037766	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na-2H"	20.974666
"102186"	364.044163	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-H+Cl"	33.962126
"545029"	537.575713	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-H+Cl"	33.962126
"931256"	190.512613	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+Cl"	33.962126
"272730"	729.095602	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Cl"	34.969402
"662594"	1076.158702	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Cl"	34.969402
"1273782"	382.032502	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl"	34.969402
"23393"	731.074806	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M-2H+K"	36.948606
"462954"	1078.137906	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M-2H+K"	36.948606
"844036"	384.011706	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-2H+K"	36.948606
"1564246"	384.011706	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K-2H"	36.948606
"953950"	392.061294	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+HCOOH"	44.998194
"365970"	739.124401	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+HCOOH-H"	44.998201
"352403"	753.140051	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Hac-H"	59.013851
"1497952"	406.076951	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Hac-H"	59.013851
"966225"	414.043251	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+NaCOOH"	66.980151
"118415"	382.032502	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Cl"	69.938804
"557977"	555.564052	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Cl"	69.938804
"1023860"	208.500952	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Cl"	69.938804
"1246357"	425.981985	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Br"	78.918885
"1316459"	428.037972	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+HCOOH"	80.974872
"1329583"	450.019929	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+NaCOOH"	102.956829
"919549"	460.048686	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M-H+CF3COOH"	112.985586
"1299175"	496.025364	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Cl+CF3COOH"	148.962264
"1371504"	312.050424	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-2H2O"	-35.012676
"1391918"	330.0604	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H-H2O"	-17.0027
"293794"	695.133476	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H"	1.007276
"675836"	1042.196576	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H"	1.007276
"1354540"	348.070376	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H"	1.007276
"127792"	348.070376	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2H"	2.014552
"568450"	521.601926	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2H"	2.014552
"1043813"	174.538826	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H"	2.014552
"211714"	232.382676	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H"	3.021828
"650183"	348.070376	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+3H"	3.021828
"1168309"	116.694976	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3H"	3.021828
"429391"	712.160023	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+NH4"	18.033823
"789657"	1059.223123	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+NH4"	18.033823
"1685624"	365.096923	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4"	18.033823
"331348"	356.5836495	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+NH4"	19.041099
"723040"	530.1151995	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+NH4"	19.041099
"1479049"	183.0520995	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+NH4"	19.041099
"396636"	717.115418	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na"	22.989218
"756538"	1064.178518	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na"	22.989218
"1603907"	370.052318	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na"	22.989218
"316862"	359.061347	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+Na"	23.996494
"709284"	532.592897	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+Na"	23.996494
"1464199"	185.529797	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+Na"	23.996494
"1058537"	124.02229	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2H+Na"	25.00377
"1264589"	380.096586	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+CH3OH+H"	33.033486
"384260"	733.089358	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+K"	38.963158
"746350"	1080.152458	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+K"	38.963158
"1546218"	386.026258	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K"	38.963158
"300843"	367.048317	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+H+K"	39.970434
"694723"	540.579867	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+H+K"	39.970434
"1454013"	193.516767	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+K"	39.970434
"244801"	736.160026	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+H"	42.033826
"1220792"	389.096926	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+H"	42.033826
"1206862"	195.052101	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+2H"	43.041102
"201918"	739.09736	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na-H"	44.97116
"644186"	1086.16046	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na-H"	44.97116
"1143893"	392.03426	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na-H"	44.97116
"186090"	370.052318	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2Na"	45.978436
"624556"	543.583868	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2Na"	45.978436
"1126968"	196.520768	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2Na"	45.978436
"1412679"	131.349604	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+2Na"	46.985712
"1442609"	394.075846	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+HCOOH"	47.012746
"230118"	375.08534	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+3H2O+2H"	56.04448
"1518181"	408.12789	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+H"	61.06479
"418960"	378.039288	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+Na+K"	61.952376
"774122"	551.570838	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+Na+K"	61.952376
"1677384"	204.507738	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+K"	61.952376
"262812"	758.141968	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+ACN+Na"	64.015768
"1230053"	411.078868	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+ACN+Na"	64.015768
"1720035"	411.102393	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+HCOOH"	64.039293
"1182106"	138.676918	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3Na"	68.967654
"1654185"	416.057788	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+HCOOH"	68.994688
"159103"	771.04524	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K-H"	76.91904
"600607"	1118.10834	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K-H"	76.91904
"1086215"	423.98214	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K-H"	76.91904
"142298"	386.026258	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"2M+2K"	77.926316
"581615"	559.557808	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"3M+2K"	77.926316
"1069656"	212.494708	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K"	77.926316
"1100796"	425.996692	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2K+H"	78.933592
"1337189"	426.084307	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+DMSO+H"	79.021207
"1006200"	430.123476	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+H"	83.060376
"1534293"	431.117108	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+Na+H"	84.054008
"993086"	215.565376	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+2ACN+2H"	84.067652
"1595245"	432.031728	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+HCOOH"	84.968628
"1416893"	462.063238	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+H+CF3COOH"	115.000138
"1151196"	236.078651	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+3ACN+2H"	125.094202
"1702936"	479.089785	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+NH4+CF3COOH"	132.026685
"1637493"	484.04518	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+Na+CF3COOH"	136.98208
"1581894"	500.01912	"C04378"	"7-alpha-D-Ribosyladenine 5-phosphate"	"C10H14N5O7P"	"347.0631"	"M+K+CF3COOH"	152.95602
"808978"	328.2038	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M"	0
"987981"	309.18541	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"65290"	217.795257333333	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"514702"	327.196524	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"893232"	108.393990666667	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"2329"	327.196524	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"448449"	491.298424	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"825158"	163.094624	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"85150"	655.400324	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"525799"	983.604124	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"900687"	327.196524	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"53604"	672.426871	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"493163"	1000.630671	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"872059"	344.223071	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"39960"	677.382266	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"478427"	1005.586066	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"859512"	349.178466	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1622485"	349.178466	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"102296"	345.184863	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"546232"	509.286763	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"933189"	181.082963	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"270652"	691.377002	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"660636"	1019.580802	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1273080"	363.173202	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"22410"	693.356206	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"464157"	1021.560006	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"845605"	365.152406	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1566543"	365.152406	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"955517"	373.201994	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"369360"	701.405801	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"351056"	715.421451	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1496969"	387.217651	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"965242"	395.183951	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"118525"	363.173202	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"563190"	527.275102	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1026888"	199.071302	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1246467"	407.122685	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1317663"	409.178672	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1328599"	431.160629	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"917107"	441.189386	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1298557"	477.166064	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1373437"	293.191124	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1393121"	311.2011	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"295729"	657.414876	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"683043"	985.618676	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1355016"	329.211076	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"127539"	329.211076	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"567832"	493.312976	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1046110"	165.109176	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"209637"	219.809809333333	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"650293"	329.211076	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1168420"	110.408542666667	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"429501"	674.441423	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"789403"	1002.645223	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1686827"	346.237623	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"336198"	337.7243495	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"725339"	501.8262495	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1480252"	173.6224495	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"395651"	679.396818	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"757742"	1007.600618	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1603654"	351.193018	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"315879"	340.202047	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"709393"	504.303947	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1464308"	176.100147	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1056460"	117.735856666667	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1261419"	361.237286	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"386556"	695.370758	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"748648"	1023.574558	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1549610"	367.166958	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"302046"	348.189017	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"695926"	512.290917	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1456675"	184.087117	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"246734"	698.441426	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1222725"	370.237626	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1208312"	185.622451	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"201664"	701.37876	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"643945"	1029.58256	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1143639"	373.17496	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"184013"	351.193018	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"623938"	515.294918	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1128171"	187.091118	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1410241"	125.063170666667	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1440532"	375.216546	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"228041"	356.22604	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1517197"	389.26859	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"413237"	359.179988	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"772773"	523.281888	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1675307"	195.078088	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"262922"	720.423368	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1234536"	392.219568	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1716864"	392.243093	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1183311"	132.390484666667	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1656482"	397.198488	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"159695"	733.32664	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"599135"	1061.53044	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1086324"	405.12284	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"145328"	367.166958	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"583065"	531.268858	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1070131"	203.065058	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1100421"	407.137392	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1337542"	407.225007	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1007650"	411.264176	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1532217"	412.257808	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"996478"	206.135726	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1594262"	413.172428	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1415545"	443.203938	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1147289"	226.649001	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1699764"	460.230485	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1637603"	465.18588	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1582004"	481.15982	"C04379"	"911alpha-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"809089"	663.2477	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M"	0
"985904"	644.22931	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H2O-H"	-19.01839
"77073"	441.157857333333	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-3H"	-3.021828
"517124"	662.240424	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-3H"	-3.021828
"891517"	220.075290666667	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-3H"	-3.021828
"12278"	662.240424	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H"	-2.014552
"447465"	993.864274	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H"	-2.014552
"824176"	330.616574	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H"	-2.014552
"88538"	1325.488124	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-H"	-1.007276
"525910"	1988.735824	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-H"	-1.007276
"904806"	662.240424	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H"	-1.007276
"56995"	1342.514671	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+NH4"	16.019271
"496558"	2005.762371	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+NH4"	16.019271
"876911"	679.266971	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+NH4"	16.019271
"43352"	1347.470066	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+Na"	20.974666
"480724"	2010.717766	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+Na"	20.974666
"857436"	684.222366	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+Na"	20.974666
"1625876"	684.222366	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na-2H"	20.974666
"104593"	680.228763	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-H+Cl"	33.962126
"541971"	1011.852613	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-H+Cl"	33.962126
"938766"	348.604913	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+Cl"	33.962126
"272947"	1361.464802	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Cl"	34.969402
"660344"	2024.712502	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Cl"	34.969402
"1273643"	698.217102	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl"	34.969402
"20331"	1363.444006	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M-2H+K"	36.948606
"466453"	2026.691706	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M-2H+K"	36.948606
"842068"	700.196306	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-2H+K"	36.948606
"1564462"	700.196306	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K-2H"	36.948606
"955629"	708.245894	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+HCOOH"	44.998194
"374575"	1371.493601	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+HCOOH-H"	44.998201
"358824"	1385.509251	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Hac-H"	59.013851
"1502186"	722.261551	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Hac-H"	59.013851
"969361"	730.227851	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+NaCOOH"	66.980151
"117542"	698.217102	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Cl"	69.938804
"564029"	1029.840952	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Cl"	69.938804
"1034651"	366.593252	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Cl"	69.938804
"1249857"	742.166585	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Br"	78.918885
"1316679"	744.222572	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+HCOOH"	80.974872
"1329806"	766.204529	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+NaCOOH"	102.956829
"919769"	776.233286	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M-H+CF3COOH"	112.985586
"1293200"	812.209964	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Cl+CF3COOH"	148.962264
"1374641"	628.235024	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H-2H2O"	-35.012676
"1389953"	646.245	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H-H2O"	-17.0027
"285990"	1327.502676	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H"	1.007276
"676951"	1990.750376	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H"	1.007276
"1352936"	664.254976	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H"	1.007276
"128380"	664.254976	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2H"	2.014552
"570859"	995.878826	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2H"	2.014552
"1044033"	332.631126	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2H"	2.014552
"214120"	443.172409333333	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+3H"	3.021828
"653682"	664.254976	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+3H"	3.021828
"1166339"	222.089842666667	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3H"	3.021828
"427424"	1344.529223	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+NH4"	18.033823
"793889"	2007.776923	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+NH4"	18.033823
"1688029"	681.281523	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4"	18.033823
"337402"	672.7682495	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+NH4"	19.041099
"729824"	1004.3920995	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+NH4"	19.041099
"1481459"	341.1443995	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+NH4"	19.041099
"397955"	1349.484618	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Na"	22.989218
"755668"	2012.732318	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Na"	22.989218
"1604248"	686.236918	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na"	22.989218
"318177"	675.245947	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+Na"	23.996494
"712787"	1006.869797	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+Na"	23.996494
"1463322"	343.622097	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+Na"	23.996494
"1058758"	229.417156666667	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2H+Na"	25.00377
"1264812"	696.281186	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+CH3OH+H"	33.033486
"384481"	1365.458558	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+K"	38.963158
"745477"	2028.706258	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+K"	38.963158
"1545345"	702.210858	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K"	38.963158
"305072"	683.232917	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+H+K"	39.970434
"701142"	1014.856767	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+H+K"	39.970434
"1454232"	351.609067	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+K"	39.970434
"249397"	1368.529226	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+ACN+H"	42.033826
"1224296"	705.281526	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+H"	42.033826
"1209815"	353.144401	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+2H"	43.041102
"202507"	1371.46656	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Na-H"	44.97116
"643528"	2034.71426	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Na-H"	44.97116
"1144117"	708.21886	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Na-H"	44.97116
"187411"	686.236918	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2Na"	45.978436
"626241"	1017.860768	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2Na"	45.978436
"1128653"	354.613068	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2Na"	45.978436
"1412786"	236.744470666667	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+2Na"	46.985712
"1442105"	710.260446	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+HCOOH"	47.012746
"233622"	691.26994	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+3H2O+2H"	56.04448
"1517307"	724.31249	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+IsoProp+H"	61.06479
"416630"	694.223888	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+Na+K"	61.952376
"776899"	1025.847738	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+Na+K"	61.952376
"1673961"	362.600038	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+K"	61.952376
"257564"	1390.511168	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+ACN+Na"	64.015768
"1232463"	727.263468	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+ACN+Na"	64.015768
"1718066"	727.286993	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4+HCOOH"	64.039293
"1182327"	244.071784666667	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3Na"	68.967654
"1658416"	732.242388	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+HCOOH"	68.994688
"161996"	1403.41444	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2K-H"	76.91904
"600828"	2066.66214	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2K-H"	76.91904
"1088621"	740.16674	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K-H"	76.91904
"144346"	702.210858	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"2M+2K"	77.926316
"582814"	1033.834708	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"3M+2K"	77.926316
"1068901"	370.587008	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K"	77.926316
"1102723"	742.181292	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2K+H"	78.933592
"1340204"	742.268907	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+DMSO+H"	79.021207
"1009097"	746.308076	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2ACN+H"	83.060376
"1531234"	747.301708	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+IsoProp+Na+H"	84.054008
"996588"	373.657676	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+2ACN+2H"	84.067652
"1588538"	748.216328	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K+HCOOH"	84.968628
"1414357"	778.247838	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+H+CF3COOH"	115.000138
"1147765"	394.170951	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+3ACN+2H"	125.094202
"1698781"	795.274385	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+NH4+CF3COOH"	132.026685
"1634430"	800.22978	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+Na+CF3COOH"	136.98208
"1576646"	816.20372	"C04382"	"Dihydrostreptomycin 3alpha-phosphate"	"C21H42N7O15P"	"663.2477"	"M+K+CF3COOH"	152.95602
"803003"	486.1162	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M"	0
"977271"	467.09781	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-H2O-H"	-19.01839
"69887"	323.070190666667	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M-3H"	-3.021828
"512733"	485.108924	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M-3H"	-3.021828
"890532"	161.031457333333	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-3H"	-3.021828
"2546"	485.108924	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M-2H"	-2.014552
"447574"	728.167024	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M-2H"	-2.014552
"824279"	242.050824	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-2H"	-2.014552
"86459"	971.225124	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M-H"	-1.007276
"529301"	1457.341324	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M-H"	-1.007276
"903824"	485.108924	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-H"	-1.007276
"58200"	988.251671	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M-2H+NH4"	16.019271
"494479"	1474.367871	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M-2H+NH4"	16.019271
"875561"	502.135471	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-2H+NH4"	16.019271
"42369"	993.207066	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M-2H+Na"	20.974666
"481930"	1479.323266	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M-2H+Na"	20.974666
"858638"	507.090866	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-2H+Na"	20.974666
"1627078"	507.090866	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Na-2H"	20.974666
"104704"	503.097263	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M-H+Cl"	33.962126
"543172"	746.155363	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M-H+Cl"	33.962126
"929032"	260.039163	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-H+Cl"	33.962126
"269775"	1007.201802	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+Cl"	34.969402
"662195"	1493.318002	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+Cl"	34.969402
"1275693"	521.085602	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Cl"	34.969402
"16792"	1009.181006	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M-2H+K"	36.948606
"458905"	1495.297206	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M-2H+K"	36.948606
"841084"	523.064806	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-2H+K"	36.948606
"1559102"	523.064806	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+K-2H"	36.948606
"952455"	531.114394	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-H+HCOOH"	44.998194
"372857"	1017.230601	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+HCOOH-H"	44.998201
"360389"	1031.246251	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+Hac-H"	59.013851
"1507281"	545.130051	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Hac-H"	59.013851
"973360"	553.096351	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-H+NaCOOH"	66.980151
"124943"	521.085602	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+2Cl"	69.938804
"561585"	764.143702	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+2Cl"	69.938804
"1035488"	278.027502	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2Cl"	69.938804
"1254339"	565.035085	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Br"	78.918885
"1312413"	567.091072	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Cl+HCOOH"	80.974872
"1325536"	589.073029	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Cl+NaCOOH"	102.956829
"916597"	599.101786	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M-H+CF3COOH"	112.985586
"1290392"	635.078464	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Cl+CF3COOH"	148.962264
"1369527"	451.103524	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H-2H2O"	-35.012676
"1386051"	469.1135	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H-H2O"	-17.0027
"284765"	973.239676	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+H"	1.007276
"677186"	1459.355876	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+H"	1.007276
"1353780"	487.123476	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H"	1.007276
"131408"	487.123476	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+2H"	2.014552
"573156"	730.181576	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+2H"	2.014552
"1046329"	244.065376	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2H"	2.014552
"214231"	325.084742666667	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+3H"	3.021828
"652700"	487.123476	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+3H"	3.021828
"1170825"	163.046009333333	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+3H"	3.021828
"431908"	990.266223	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+NH4"	18.033823
"789628"	1476.382423	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+NH4"	18.033823
"1684136"	504.150023	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+NH4"	18.033823
"333144"	495.6367495	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+H+NH4"	19.041099
"727750"	738.6948495	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+H+NH4"	19.041099
"1484852"	252.5786495	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H+NH4"	19.041099
"405719"	995.221618	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+Na"	22.989218
"762341"	1481.337818	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+Na"	22.989218
"1611531"	509.105418	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Na"	22.989218
"321569"	498.114447	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+H+Na"	23.996494
"711802"	741.172547	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+H+Na"	23.996494
"1464529"	255.056347	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H+Na"	23.996494
"1058867"	170.373323333333	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2H+Na"	25.00377
"1263830"	519.149686	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+CH3OH+H"	33.033486
"387873"	1011.195558	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+K"	38.963158
"747774"	1497.311758	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+K"	38.963158
"1548737"	525.079358	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+K"	38.963158
"308100"	506.101417	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+H+K"	39.970434
"699427"	749.159517	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+H+K"	39.970434
"1460626"	263.043317	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H+K"	39.970434
"250607"	1014.266226	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+ACN+H"	42.033826
"1225340"	528.150026	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+ACN+H"	42.033826
"1207805"	264.578651	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+ACN+2H"	43.041102
"203961"	1017.20356	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+2Na-H"	44.97116
"642056"	1503.31976	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+2Na-H"	44.97116
"1144593"	531.08736	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2Na-H"	44.97116
"186426"	509.105418	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+2Na"	45.978436
"626351"	752.163518	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+2Na"	45.978436
"1127669"	266.047318	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2Na"	45.978436
"1411551"	177.700637333333	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H+2Na"	46.985712
"1444403"	533.128946	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H+HCOOH"	47.012746
"232275"	514.13844	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+3H2O+2H"	56.04448
"1513042"	547.18099	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+IsoProp+H"	61.06479
"417104"	517.092388	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+Na+K"	61.952376
"779929"	760.150488	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+Na+K"	61.952376
"1675529"	274.034288	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Na+K"	61.952376
"260957"	1036.248168	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+ACN+Na"	64.015768
"1235122"	550.131968	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+ACN+Na"	64.015768
"1724377"	550.155493	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+NH4+HCOOH"	64.039293
"1190825"	185.027951333333	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+3Na"	68.967654
"1659259"	555.110888	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Na+HCOOH"	68.994688
"166849"	1049.15144	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+2K-H"	76.91904
"603127"	1535.26764	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+2K-H"	76.91904
"1093837"	563.03524	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2K-H"	76.91904
"150288"	525.079358	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"2M+2K"	77.926316
"584018"	768.137458	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"3M+2K"	77.926316
"1076186"	282.021258	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2K"	77.926316
"1106115"	565.049792	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2K+H"	78.933592
"1343593"	565.137407	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+DMSO+H"	79.021207
"1006409"	569.176576	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2ACN+H"	83.060376
"1530250"	570.170208	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+IsoProp+Na+H"	84.054008
"991595"	285.091926	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+2ACN+2H"	84.067652
"1587552"	571.084828	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+K+HCOOH"	84.968628
"1414345"	601.116338	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+H+CF3COOH"	115.000138
"1155901"	305.605201	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+3ACN+2H"	125.094202
"1698163"	618.142885	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+NH4+CF3COOH"	132.026685
"1634304"	623.09828	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+Na+CF3COOH"	136.98208
"1578944"	639.07222	"C04385"	"Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H22O11"	"486.1162"	"M+K+CF3COOH"	152.95602
"801419"	232.1059	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M"	0
"974950"	213.08751	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-H2O-H"	-19.01839
"73280"	153.729990666667	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M-3H"	-3.021828
"513935"	231.098624	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M-3H"	-3.021828
"887365"	76.3613573333333	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-3H"	-3.021828
"3752"	231.098624	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M-2H"	-2.014552
"441483"	347.151574	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M-2H"	-2.014552
"822205"	115.045674	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-2H"	-2.014552
"81464"	463.204524	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M-H"	-1.007276
"525035"	695.310424	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M-H"	-1.007276
"906119"	231.098624	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-H"	-1.007276
"56122"	480.231071	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M-2H+NH4"	16.019271
"493492"	712.336971	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M-2H+NH4"	16.019271
"873483"	248.125171	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-2H+NH4"	16.019271
"42477"	485.186466	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M-2H+Na"	20.974666
"478757"	717.292366	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M-2H+Na"	20.974666
"858749"	253.080566	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-2H+Na"	20.974666
"1626096"	253.080566	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Na-2H"	20.974666
"103722"	249.086963	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M-H+Cl"	33.962126
"536723"	365.139913	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M-H+Cl"	33.962126
"930237"	133.034013	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-H+Cl"	33.962126
"270980"	499.181202	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+Cl"	34.969402
"660971"	731.287102	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+Cl"	34.969402
"1283461"	267.075302	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Cl"	34.969402
"26018"	501.160406	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M-2H+K"	36.948606
"466672"	733.266306	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M-2H+K"	36.948606
"844475"	269.054506	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-2H+K"	36.948606
"1563586"	269.054506	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+K-2H"	36.948606
"957669"	277.104094	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-H+HCOOH"	44.998194
"374061"	509.210001	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+HCOOH-H"	44.998201
"359041"	523.225651	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+Hac-H"	59.013851
"1507632"	291.119751	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Hac-H"	59.013851
"968853"	299.086051	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-H+NaCOOH"	66.980151
"124322"	267.075302	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+2Cl"	69.938804
"565343"	383.128252	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+2Cl"	69.938804
"1033776"	151.022352	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2Cl"	69.938804
"1248981"	311.024785	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Br"	78.918885
"1312524"	313.080772	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Cl+HCOOH"	80.974872
"1325647"	335.062729	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Cl+NaCOOH"	102.956829
"916708"	345.091486	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M-H+CF3COOH"	112.985586
"1297429"	381.068164	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Cl+CF3COOH"	148.962264
"1369759"	197.093224	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H-2H2O"	-35.012676
"1386892"	215.1032	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H-H2O"	-17.0027
"288763"	465.219076	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+H"	1.007276
"677538"	697.324976	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+H"	1.007276
"1355348"	233.113176	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H"	1.007276
"135165"	233.113176	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+2H"	2.014552
"572904"	349.166126	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+2H"	2.014552
"1046077"	117.060226	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2H"	2.014552
"213251"	155.744542666667	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+3H"	3.021828
"650624"	233.113176	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+3H"	3.021828
"1166561"	78.3759093333333	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+3H"	3.021828
"429836"	482.245623	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+NH4"	18.033823
"788645"	714.351523	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+NH4"	18.033823
"1683883"	250.139723	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+NH4"	18.033823
"332160"	241.6264495	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+H+NH4"	19.041099
"728955"	357.6793995	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+H+NH4"	19.041099
"1489337"	125.5734995	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H+NH4"	19.041099
"398175"	487.201018	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+Na"	22.989218
"759169"	719.306918	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+Na"	22.989218
"1608362"	255.095118	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Na"	22.989218
"319489"	244.104147	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+H+Na"	23.996494
"709726"	360.157097	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+H+Na"	23.996494
"1465734"	128.051197	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H+Na"	23.996494
"1057885"	85.7032233333333	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2H+Na"	25.00377
"1260293"	265.139386	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+CH3OH+H"	33.033486
"382515"	503.174958	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+K"	38.963158
"745698"	735.280858	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+K"	38.963158
"1548842"	271.069058	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+K"	38.963158
"304928"	252.091117	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+H+K"	39.970434
"698444"	368.144067	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+H+K"	39.970434
"1453358"	136.038167	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H+K"	39.970434
"247426"	506.245626	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+ACN+H"	42.033826
"1221960"	274.139726	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+ACN+H"	42.033826
"1209580"	137.573501	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+ACN+2H"	43.041102
"203947"	509.18296	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+2Na-H"	44.97116
"643382"	741.28886	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+2Na-H"	44.97116
"1144338"	277.07706	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2Na-H"	44.97116
"185802"	255.095118	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+2Na"	45.978436
"626456"	371.148068	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+2Na"	45.978436
"1128505"	139.042168	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2Na"	45.978436
"1412400"	93.0305373333333	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H+2Na"	46.985712
"1442688"	279.118646	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H+HCOOH"	47.012746
"230558"	260.12814	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+3H2O+2H"	56.04448
"1521176"	293.17069	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+IsoProp+H"	61.06479
"417220"	263.082088	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+Na+K"	61.952376
"780401"	379.135038	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+Na+K"	61.952376
"1677468"	147.029138	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Na+K"	61.952376
"259974"	528.227568	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+ACN+Na"	64.015768
"1234870"	296.121668	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+ACN+Na"	64.015768
"1720472"	296.145193	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+NH4+HCOOH"	64.039293
"1185828"	100.357851333333	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+3Na"	68.967654
"1659000"	301.100588	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Na+HCOOH"	68.994688
"164769"	541.13084	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+2K-H"	76.91904
"604330"	773.23674	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+2K-H"	76.91904
"1089936"	309.02494	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2K-H"	76.91904
"143470"	271.069058	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"2M+2K"	77.926316
"583154"	387.122008	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"3M+2K"	77.926316
"1069247"	155.016108	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2K"	77.926316
"1100065"	311.039492	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2K+H"	78.933592
"1341517"	311.127107	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+DMSO+H"	79.021207
"1008225"	315.166276	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2ACN+H"	83.060376
"1524557"	316.159908	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+IsoProp+Na+H"	84.054008
"990019"	158.086776	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+2ACN+2H"	84.067652
"1587543"	317.074528	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+K+HCOOH"	84.968628
"1414245"	347.106038	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+H+CF3COOH"	115.000138
"1148356"	178.600051	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+3ACN+2H"	125.094202
"1701190"	364.132585	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+NH4+CF3COOH"	132.026685
"1634229"	369.08798	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+Na+CF3COOH"	136.98208
"1579058"	385.06192	"C04390"	"N6-Acetyl-LL-26-diaminoheptanedioate;N2-Acetyl-LL-26-diaminoheptanedioate;N6-Acetyl-LL-26-diaminopimelate;N2-Acetyl-LL-26-diaminopimelate;N6-Acetyl-L-26-diaminoheptanedioate;N6-Acetyl-L-26-diaminopimelate;N-Acetyl-LL-26-diaminoheptanedioate"	"C9H16N2O5"	"232.1059"	"M+K+CF3COOH"	152.95602
"802132"	870.0061	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M"	0
"976399"	850.98771	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-H2O-H"	-19.01839
"76671"	578.996790666667	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M-3H"	-3.021828
"511857"	868.998824	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M-3H"	-3.021828
"888566"	288.994757333333	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-3H"	-3.021828
"1672"	868.998824	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M-2H"	-2.014552
"446699"	1304.001874	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M-2H"	-2.014552
"825598"	433.995774	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-2H"	-2.014552
"84490"	1739.004924	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M-H"	-1.007276
"526240"	2609.011024	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M-H"	-1.007276
"905138"	868.998824	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-H"	-1.007276
"52955"	1756.031471	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M-2H+NH4"	16.019271
"493605"	2626.037571	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M-2H+NH4"	16.019271
"873596"	886.025371	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-2H+NH4"	16.019271
"39312"	1760.986866	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M-2H+Na"	20.974666
"478870"	2630.992966	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M-2H+Na"	20.974666
"856674"	890.980766	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-2H+Na"	20.974666
"1627301"	890.980766	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Na-2H"	20.974666
"103831"	886.987163	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M-H+Cl"	33.962126
"542300"	1321.990213	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M-H+Cl"	33.962126
"932534"	451.984113	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-H+Cl"	33.962126
"273278"	1774.981602	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+Cl"	34.969402
"670073"	2644.987702	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+Cl"	34.969402
"1283571"	904.975502	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Cl"	34.969402
"29409"	1776.960806	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M-2H+K"	36.948606
"470066"	2646.966906	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M-2H+K"	36.948606
"847505"	906.954706	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-2H+K"	36.948606
"1569895"	906.954706	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+K-2H"	36.948606
"957415"	915.004294	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-H+HCOOH"	44.998194
"376928"	1785.010401	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+HCOOH-H"	44.998201
"356963"	1799.026051	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+Hac-H"	59.013851
"1505797"	929.019951	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Hac-H"	59.013851
"973340"	936.986251	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-H+NaCOOH"	66.980151
"124799"	904.975502	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+2Cl"	69.938804
"564722"	1339.978552	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+2Cl"	69.938804
"1035954"	469.972452	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2Cl"	69.938804
"1253468"	948.924985	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Br"	78.918885
"1307895"	950.980972	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Cl+HCOOH"	80.974872
"1326852"	972.962929	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Cl+NaCOOH"	102.956829
"917913"	982.991686	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M-H+CF3COOH"	112.985586
"1299726"	1018.968364	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Cl+CF3COOH"	148.962264
"1368047"	834.993424	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H-2H2O"	-35.012676
"1383720"	853.0034	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H-H2O"	-17.0027
"288874"	1741.019476	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+H"	1.007276
"678379"	2611.025576	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+H"	1.007276
"1354367"	871.013376	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H"	1.007276
"134547"	871.013376	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+2H"	2.014552
"570099"	1306.016426	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+2H"	2.014552
"1047282"	436.010326	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2H"	2.014552
"215548"	581.011342666667	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+3H"	3.021828
"645633"	871.013376	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+3H"	3.021828
"1167768"	291.009309333333	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+3H"	3.021828
"431041"	1758.046023	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+NH4"	18.033823
"788756"	2628.052123	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+NH4"	18.033823
"1683993"	888.039923	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+NH4"	18.033823
"339924"	879.5266495	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+H+NH4"	19.041099
"730162"	1314.5296995	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+H+NH4"	19.041099
"1483982"	444.5235995	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H+NH4"	19.041099
"400473"	1763.001418	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+Na"	22.989218
"760375"	2633.007518	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+Na"	22.989218
"1608470"	892.995318	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Na"	22.989218
"318510"	882.004347	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+H+Na"	23.996494
"712022"	1317.007397	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+H+Na"	23.996494
"1463048"	447.001297	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H+Na"	23.996494
"1061277"	298.336623333333	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2H+Na"	25.00377
"1269516"	903.039586	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+CH3OH+H"	33.033486
"382625"	1778.975358	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+K"	38.963158
"750183"	2648.981458	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+K"	38.963158
"1548954"	908.969258	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+K"	38.963158
"307225"	889.991317	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+H+K"	39.970434
"695272"	1324.994367	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+H+K"	39.970434
"1461128"	454.988267	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H+K"	39.970434
"251069"	1782.046026	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+ACN+H"	42.033826
"1224264"	912.039926	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+ACN+H"	42.033826
"1208755"	456.523601	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+ACN+2H"	43.041102
"202970"	1784.98336	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+2Na-H"	44.97116
"640941"	2654.98946	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+2Na-H"	44.97116
"1145543"	914.97726	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2Na-H"	44.97116
"185553"	892.995318	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+2Na"	45.978436
"626203"	1327.998368	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+2Na"	45.978436
"1128617"	457.992268	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2Na"	45.978436
"1411047"	305.663937333333	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H+2Na"	46.985712
"1441338"	917.018846	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H+HCOOH"	47.012746
"227387"	898.02834	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+3H2O+2H"	56.04448
"1514359"	931.07089	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+IsoProp+H"	61.06479
"418056"	900.982288	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+Na+K"	61.952376
"776865"	1335.985338	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+Na+K"	61.952376
"1671373"	465.979238	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Na+K"	61.952376
"262637"	1804.027968	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+ACN+Na"	64.015768
"1233885"	934.021868	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+ACN+Na"	64.015768
"1724964"	934.045393	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+NH4+HCOOH"	64.039293
"1189953"	312.991251333333	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+3Na"	68.967654
"1662398"	939.000788	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Na+HCOOH"	68.994688
"162689"	1816.93124	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+2K-H"	76.91904
"606628"	2686.93734	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+2K-H"	76.91904
"1094786"	946.92514	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2K-H"	76.91904
"146865"	908.969258	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"2M+2K"	77.926316
"588612"	1343.972308	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"3M+2K"	77.926316
"1073127"	473.966208	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2K"	77.926316
"1112894"	948.939692	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2K+H"	78.933592
"1339804"	949.027307	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+DMSO+H"	79.021207
"1011252"	953.066476	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2ACN+H"	83.060376
"1525122"	954.060108	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+IsoProp+Na+H"	84.054008
"998015"	477.036876	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+2ACN+2H"	84.067652
"1587411"	954.974728	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+K+HCOOH"	84.968628
"1414645"	985.006238	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+H+CF3COOH"	115.000138
"1147486"	497.550151	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+3ACN+2H"	125.094202
"1697202"	1002.032785	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+NH4+CF3COOH"	132.026685
"1638045"	1006.98818	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+Na+CF3COOH"	136.98208
"1571876"	1022.96212	"C04392"	"P1P4-Bis(5-xanthosyl) tetraphosphate;XppppX"	"C20H26N8O23P4"	"870.0061"	"M+K+CF3COOH"	152.95602
"815374"	215.9857	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M"	0
"985258"	196.96731	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-H2O-H"	-19.01839
"70221"	142.983190666667	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M-3H"	-3.021828
"509781"	214.978424	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M-3H"	-3.021828
"885394"	70.9879573333333	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-3H"	-3.021828
"10528"	214.978424	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M-2H"	-2.014552
"442434"	322.971274	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M-2H"	-2.014552
"821328"	106.985574	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-2H"	-2.014552
"84600"	430.964124	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M-H"	-1.007276
"525255"	646.949824	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M-H"	-1.007276
"905244"	214.978424	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-H"	-1.007276
"57433"	447.990671	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M-2H+NH4"	16.019271
"499427"	663.976371	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M-2H+NH4"	16.019271
"875161"	232.004971	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-2H+NH4"	16.019271
"40510"	452.946066	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M-2H+Na"	20.974666
"476792"	668.931766	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M-2H+Na"	20.974666
"856788"	236.960366	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-2H+Na"	20.974666
"1624133"	236.960366	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Na-2H"	20.974666
"99569"	232.966763	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M-H+Cl"	33.962126
"539130"	340.959613	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M-H+Cl"	33.962126
"931551"	124.973913	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-H+Cl"	33.962126
"273389"	466.940802	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+Cl"	34.969402
"666903"	682.926502	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+Cl"	34.969402
"1282588"	250.955102	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Cl"	34.969402
"21865"	468.920006	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M-2H+K"	36.948606
"466892"	684.905706	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M-2H+K"	36.948606
"844694"	252.934306	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-2H+K"	36.948606
"1570005"	252.934306	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+K-2H"	36.948606
"952786"	260.983894	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-H+HCOOH"	44.998194
"376553"	476.969601	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+HCOOH-H"	44.998201
"353792"	490.985251	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+Hac-H"	59.013851
"1504811"	274.999551	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Hac-H"	59.013851
"974102"	282.965851	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-H+NaCOOH"	66.980151
"119076"	250.955102	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+2Cl"	69.938804
"564710"	358.947952	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+2Cl"	69.938804
"1026350"	142.962252	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2Cl"	69.938804
"1244470"	294.904585	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Br"	78.918885
"1306919"	296.960572	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Cl+HCOOH"	80.974872
"1325873"	318.942529	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Cl+NaCOOH"	102.956829
"919118"	328.971286	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M-H+CF3COOH"	112.985586
"1298013"	364.947964	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Cl+CF3COOH"	148.962264
"1372896"	180.973024	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H-2H2O"	-35.012676
"1395495"	198.983	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H-H2O"	-17.0027
"284611"	432.978676	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+H"	1.007276
"680312"	648.964376	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+H"	1.007276
"1357757"	216.992976	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H"	1.007276
"133925"	216.992976	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+2H"	2.014552
"572761"	324.985826	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+2H"	2.014552
"1043382"	109.000126	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2H"	2.014552
"213470"	144.997742666667	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+3H"	3.021828
"650846"	216.992976	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+3H"	3.021828
"1167878"	73.0025093333333	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+3H"	3.021828
"433337"	450.005223	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+NH4"	18.033823
"793240"	665.990923	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+NH4"	18.033823
"1689571"	234.019523	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+NH4"	18.033823
"338577"	225.5062495	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+H+NH4"	19.041099
"725895"	333.4990995	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+H+NH4"	19.041099
"1488095"	117.5133995	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H+NH4"	19.041099
"400580"	454.960618	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+Na"	22.989218
"758293"	670.946318	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+Na"	22.989218
"1610766"	238.974918	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Na"	22.989218
"320803"	227.983947	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+H+Na"	23.996494
"709943"	335.976797	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+H+Na"	23.996494
"1462065"	119.991097	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H+Na"	23.996494
"1058107"	80.3298233333333	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2H+Na"	25.00377
"1259055"	249.019186	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+CH3OH+H"	33.033486
"383829"	470.934558	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+K"	38.963158
"749201"	686.920258	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+K"	38.963158
"1544692"	254.948858	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+K"	38.963158
"306241"	235.970917	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+H+K"	39.970434
"698663"	343.963767	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+H+K"	39.970434
"1451390"	127.978067	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H+K"	39.970434
"251396"	474.005226	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+ACN+H"	42.033826
"1224370"	258.019526	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+ACN+H"	42.033826
"1209353"	129.513401	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+ACN+2H"	43.041102
"203078"	476.94256	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+2Na-H"	44.97116
"642150"	692.92826	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+2Na-H"	44.97116
"1142367"	260.95686	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2Na-H"	44.97116
"185292"	238.974918	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+2Na"	45.978436
"625702"	346.967768	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+2Na"	45.978436
"1127998"	130.982068	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2Na"	45.978436
"1409333"	87.6571373333333	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H+2Na"	46.985712
"1442544"	262.998446	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H+HCOOH"	47.012746
"225315"	244.00794	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+3H2O+2H"	56.04448
"1511187"	277.05049	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+IsoProp+H"	61.06479
"411235"	246.961888	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+Na+K"	61.952376
"775154"	354.954738	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+Na+K"	61.952376
"1678779"	138.969038	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Na+K"	61.952376
"265300"	495.987168	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+ACN+Na"	64.015768
"1238978"	280.001468	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+ACN+Na"	64.015768
"1726534"	280.024993	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+NH4+HCOOH"	64.039293
"1192617"	94.9844513333333	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+3Na"	68.967654
"1663963"	284.980388	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Na+HCOOH"	68.994688
"170094"	508.89044	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+2K-H"	76.91904
"609653"	724.87614	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+2K-H"	76.91904
"1099032"	292.90474	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2K-H"	76.91904
"155602"	254.948858	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"2M+2K"	77.926316
"590909"	362.941708	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"3M+2K"	77.926316
"1077611"	146.956008	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2K"	77.926316
"1111914"	294.919292	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2K+H"	78.933592
"1339549"	295.006907	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+DMSO+H"	79.021207
"1009173"	299.046076	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2ACN+H"	83.060376
"1527299"	300.039708	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+IsoProp+Na+H"	84.054008
"993745"	150.026676	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+2ACN+2H"	84.067652
"1593724"	300.954328	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+K+HCOOH"	84.968628
"1425946"	330.985838	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+H+CF3COOH"	115.000138
"1155140"	170.539951	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+3ACN+2H"	125.094202
"1697404"	348.012385	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+NH4+CF3COOH"	132.026685
"1639257"	352.96778	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+Na+CF3COOH"	136.98208
"1579283"	368.94172	"C04399"	"S-Methyl-3-phospho-1-thio-D-glycerate"	"C4H9O6PS"	"215.9857"	"M+K+CF3COOH"	152.95602
"806367"	1008.7183	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M"	0
"985368"	989.69991	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H2O-H"	-19.01839
"69238"	671.471590666667	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-3H"	-3.021828
"504789"	1007.711024	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-3H"	-3.021828
"884411"	335.232157333333	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-3H"	-3.021828
"7359"	1007.711024	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H"	-2.014552
"450198"	1512.070174	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H"	-2.014552
"825811"	503.351874	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H"	-2.014552
"83617"	2016.429324	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-H"	-1.007276
"525364"	3025.147624	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-H"	-1.007276
"904261"	1007.711024	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H"	-1.007276
"58636"	2033.455871	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H+NH4"	16.019271
"496010"	3042.174171	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H+NH4"	16.019271
"869803"	1024.737571	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H+NH4"	16.019271
"38433"	2038.411266	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H+Na"	20.974666
"472896"	3047.129566	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H+Na"	20.974666
"856898"	1029.692966	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H+Na"	20.974666
"1625338"	1029.692966	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na-2H"	20.974666
"101867"	1025.699363	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-H+Cl"	33.962126
"539240"	1530.058513	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-H+Cl"	33.962126
"930569"	521.340213	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+Cl"	33.962126
"276780"	2052.406002	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Cl"	34.969402
"668109"	3061.124302	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+Cl"	34.969402
"1285252"	1043.687702	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl"	34.969402
"26349"	2054.385206	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H+K"	36.948606
"459347"	3063.103506	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H+K"	36.948606
"838244"	1045.666906	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H+K"	36.948606
"1570118"	1045.666906	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K-2H"	36.948606
"952896"	1053.716494	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+HCOOH"	44.998194
"371111"	2062.434801	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+HCOOH-H"	44.998201
"353902"	2076.450451	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Hac-H"	59.013851
"1502734"	1067.732151	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Hac-H"	59.013851
"973437"	1075.698451	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+NaCOOH"	66.980151
"112626"	1043.687702	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2Cl"	69.938804
"560933"	1548.046852	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2Cl"	69.938804
"1026462"	539.328552	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2Cl"	69.938804
"1244582"	1087.637185	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Br"	78.918885
"1307030"	1089.693172	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl+HCOOH"	80.974872
"1322703"	1111.675129	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl+NaCOOH"	102.956829
"919229"	1121.703886	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+CF3COOH"	112.985586
"1291564"	1157.680564	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl+CF3COOH"	148.962264
"1371914"	973.705624	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H-2H2O"	-35.012676
"1387222"	991.7156	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H-H2O"	-17.0027
"287273"	2018.443876	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H"	1.007276
"678238"	3027.162176	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H"	1.007276
"1355681"	1009.725576	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H"	1.007276
"135859"	1009.725576	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2H"	2.014552
"575786"	1514.084726	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2H"	2.014552
"1040213"	505.366426	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2H"	2.014552
"213580"	673.486142666667	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+3H"	3.021828
"656421"	1009.725576	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+3H"	3.021828
"1173822"	337.246709333333	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+3H"	3.021828
"433448"	2035.470423	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+NH4"	18.033823
"793350"	3044.188723	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+NH4"	18.033823
"1689318"	1026.752123	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+NH4"	18.033823
"339052"	1018.2388495	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H+NH4"	19.041099
"733659"	1522.5979995	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H+NH4"	19.041099
"1487843"	513.8796995	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+NH4"	19.041099
"402513"	2040.425818	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Na"	22.989218
"762778"	3049.144118	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+Na"	22.989218
"1610877"	1031.707518	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na"	22.989218
"320915"	1020.716547	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H+Na"	23.996494
"711149"	1525.075697	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H+Na"	23.996494
"1464971"	516.357397	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+Na"	23.996494
"1057123"	344.574023333333	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2H+Na"	25.00377
"1260988"	1041.751786	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+CH3OH+H"	33.033486
"383936"	2056.399758	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+K"	38.963158
"747124"	3065.118058	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+K"	38.963158
"1545896"	1047.681458	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K"	38.963158
"304166"	1028.703517	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H+K"	39.970434
"695495"	1533.062667	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H+K"	39.970434
"1460377"	524.344367	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+K"	39.970434
"250559"	2059.470426	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+ACN+H"	42.033826
"1224484"	1050.752126	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+ACN+H"	42.033826
"1208008"	525.879701	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+ACN+2H"	43.041102
"201608"	2062.40776	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2Na-H"	44.97116
"641168"	3071.12606	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2Na-H"	44.97116
"1142477"	1053.68946	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2Na-H"	44.97116
"185404"	1031.707518	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2Na"	45.978436
"624234"	1536.066668	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2Na"	45.978436
"1127743"	527.348368	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2Na"	45.978436
"1410537"	351.901337333333	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+2Na"	46.985712
"1436819"	1055.731046	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+HCOOH"	47.012746
"221053"	1036.74054	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+3H2O+2H"	56.04448
"1509839"	1069.78309	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+IsoProp+H"	61.06479
"409893"	1039.694488	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Na+K"	61.952376
"775264"	1544.053638	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+Na+K"	61.952376
"1677430"	535.335338	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na+K"	61.952376
"264315"	2081.452368	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+ACN+Na"	64.015768
"1239212"	1072.734068	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+ACN+Na"	64.015768
"1727133"	1072.757593	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+NH4+HCOOH"	64.039293
"1193704"	359.228651333333	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+3Na"	68.967654
"1660426"	1077.712988	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na+HCOOH"	68.994688
"164006"	2094.35564	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2K-H"	76.91904
"607943"	3103.07394	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2K-H"	76.91904
"1094641"	1085.63734	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2K-H"	76.91904
"153645"	1047.681458	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2K"	77.926316
"591019"	1552.040608	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2K"	77.926316
"1072254"	543.322308	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2K"	77.926316
"1107648"	1087.651892	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2K+H"	78.933592
"1338566"	1087.739507	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+DMSO+H"	79.021207
"1010741"	1091.778676	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2ACN+H"	83.060376
"1530689"	1092.772308	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+IsoProp+Na+H"	84.054008
"997136"	546.392976	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2ACN+2H"	84.067652
"1589825"	1093.686928	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K+HCOOH"	84.968628
"1414173"	1123.718438	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+CF3COOH"	115.000138
"1154157"	566.906251	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+3ACN+2H"	125.094202
"1697389"	1140.744985	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+NH4+CF3COOH"	132.026685
"1636087"	1145.70038	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na+CF3COOH"	136.98208
"1579393"	1161.67432	"C04403"	"beta-D-Glucosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K+CF3COOH"	152.95602
"809757"	144.0786	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M"	0
"975267"	125.06021	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-H2O-H"	-19.01839
"69348"	95.045124	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M-3H"	-3.021828
"504535"	143.071324	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M-3H"	-3.021828
"884521"	47.018924	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-3H"	-3.021828
"6375"	143.071324	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M-2H"	-2.014552
"451401"	215.110624	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M-2H"	-2.014552
"827014"	71.032024	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-2H"	-2.014552
"84820"	287.149924	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M-H"	-1.007276
"525474"	431.228524	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M-H"	-1.007276
"905465"	143.071324	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-H"	-1.007276
"56559"	304.176471	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M-2H+NH4"	16.019271
"497213"	448.255071	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M-2H+NH4"	16.019271
"871735"	160.097871	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-2H+NH4"	16.019271
"39638"	309.131866	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M-2H+Na"	20.974666
"473608"	453.210466	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M-2H+Na"	20.974666
"857008"	165.053266	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-2H+Na"	20.974666
"1630915"	165.053266	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Na-2H"	20.974666
"101977"	161.059663	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M-H+Cl"	33.962126
"542630"	233.098963	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M-H+Cl"	33.962126
"936146"	89.020363	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-H+Cl"	33.962126
"280170"	323.126602	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+Cl"	34.969402
"670406"	467.205202	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+Cl"	34.969402
"1284997"	179.048002	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Cl"	34.969402
"26459"	325.105806	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M-2H+K"	36.948606
"458364"	469.184406	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M-2H+K"	36.948606
"838354"	181.027206	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-2H+K"	36.948606
"1569865"	181.027206	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+K-2H"	36.948606
"951913"	189.076794	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-H+HCOOH"	44.998194
"371221"	333.155401	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+HCOOH-H"	44.998201
"355106"	347.171051	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+Hac-H"	59.013851
"1502844"	203.092451	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Hac-H"	59.013851
"971482"	211.058751	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-H+NaCOOH"	66.980151
"124764"	179.048002	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+2Cl"	69.938804
"558856"	251.087302	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+2Cl"	69.938804
"1030947"	107.008702	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2Cl"	69.938804
"1249433"	222.997485	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Br"	78.918885
"1311880"	225.053472	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Cl+HCOOH"	80.974872
"1328281"	247.035429	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Cl+NaCOOH"	102.956829
"924078"	257.064186	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M-H+CF3COOH"	112.985586
"1299329"	293.040864	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Cl+CF3COOH"	148.962264
"1376398"	109.065924	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H-2H2O"	-35.012676
"1390613"	127.0759	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H-H2O"	-17.0027
"294309"	289.164476	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+H"	1.007276
"681628"	433.243076	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+H"	1.007276
"1361989"	145.085876	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H"	1.007276
"137063"	145.085876	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+2H"	2.014552
"578812"	217.125176	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+2H"	2.014552
"1042510"	73.046576	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2H"	2.014552
"212597"	97.059676	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+3H"	3.021828
"655437"	145.085876	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+3H"	3.021828
"1174297"	49.033476	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+3H"	3.021828
"434652"	306.191023	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+NH4"	18.033823
"790181"	450.269623	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+NH4"	18.033823
"1693801"	162.112423	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+NH4"	18.033823
"343173"	153.5991495	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+H+NH4"	19.041099
"736319"	225.6384495	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+H+NH4"	19.041099
"1488681"	81.5598495	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H+NH4"	19.041099
"405173"	311.146418	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+Na"	22.989218
"760701"	455.225018	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+Na"	22.989218
"1612080"	167.067818	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Na"	22.989218
"321024"	156.076847	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+H+Na"	23.996494
"711258"	228.116147	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+H+Na"	23.996494
"1462894"	84.037547	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H+Na"	23.996494
"1057233"	56.36079	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2H+Na"	25.00377
"1260002"	177.112086	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+CH3OH+H"	33.033486
"382953"	327.120358	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+K"	38.963158
"743953"	471.198958	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+K"	38.963158
"1550381"	183.041758	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+K"	38.963158
"302088"	164.063817	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+H+K"	39.970434
"696698"	236.103117	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+H+K"	39.970434
"1458174"	92.024517	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H+K"	39.970434
"250544"	330.191026	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+ACN+H"	42.033826
"1224960"	186.112426	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+ACN+H"	42.033826
"1209088"	93.559851	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+ACN+2H"	43.041102
"202444"	333.12836	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+2Na-H"	44.97116
"642006"	477.20696	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+2Na-H"	44.97116
"1142587"	189.04976	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2Na-H"	44.97116
"180411"	167.067818	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+2Na"	45.978436
"624344"	239.107118	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+2Na"	45.978436
"1126760"	95.028518	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2Na"	45.978436
"1405908"	63.688104	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H+2Na"	46.985712
"1434742"	191.091346	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H+HCOOH"	47.012746
"222256"	172.10084	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+3H2O+2H"	56.04448
"1511407"	205.14339	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+IsoProp+H"	61.06479
"411096"	175.054788	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+Na+K"	61.952376
"775374"	247.094088	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+Na+K"	61.952376
"1678268"	103.015488	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Na+K"	61.952376
"265153"	352.172968	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+ACN+Na"	64.015768
"1240778"	208.094368	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+ACN+Na"	64.015768
"1727362"	208.117893	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+NH4+HCOOH"	64.039293
"1193611"	71.015418	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+3Na"	68.967654
"1660536"	213.073288	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Na+HCOOH"	68.994688
"168491"	365.07624	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+2K-H"	76.91904
"605866"	509.15484	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+2K-H"	76.91904
"1096938"	220.99764	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2K-H"	76.91904
"152662"	183.041758	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"2M+2K"	77.926316
"595381"	255.081058	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"3M+2K"	77.926316
"1075645"	111.002458	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2K"	77.926316
"1107760"	223.012192	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2K+H"	78.933592
"1340863"	223.099807	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+DMSO+H"	79.021207
"1009757"	227.138976	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2ACN+H"	83.060376
"1527154"	228.132608	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+IsoProp+Na+H"	84.054008
"993237"	114.073126	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+2ACN+2H"	84.067652
"1589206"	229.047228	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+K+HCOOH"	84.968628
"1414618"	259.078738	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+H+CF3COOH"	115.000138
"1154267"	134.586401	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+3ACN+2H"	125.094202
"1697986"	276.105285	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+NH4+CF3COOH"	132.026685
"1636197"	281.06068	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+Na+CF3COOH"	136.98208
"1579503"	297.03462	"C04404"	"trans-4-Hydroxycyclohexanecarboxylate"	"C7H12O3"	"144.0786"	"M+K+CF3COOH"	152.95602
"807680"	867.1676	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M"	0
"975014"	848.14921	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H2O-H"	-19.01839
"69458"	577.104457333333	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-3H"	-3.021828
"506831"	866.160324	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-3H"	-3.021828
"883538"	288.048590666667	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-3H"	-3.021828
"4298"	866.160324	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H"	-2.014552
"448231"	1299.744124	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H"	-2.014552
"823844"	432.576524	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H"	-2.014552
"80920"	1733.327924	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-H"	-1.007276
"521574"	2600.495524	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-H"	-1.007276
"901200"	866.160324	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H"	-1.007276
"57763"	1750.354471	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+NH4"	16.019271
"497323"	2617.522071	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+NH4"	16.019271
"871845"	883.186871	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H+NH4"	16.019271
"37562"	1755.309866	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+Na"	20.974666
"476029"	2622.477466	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+Na"	20.974666
"857118"	888.142266	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H+Na"	20.974666
"1633337"	888.142266	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na-2H"	20.974666
"99901"	884.148663	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-H+Cl"	33.962126
"536181"	1317.732463	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-H+Cl"	33.962126
"934069"	450.564863	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+Cl"	33.962126
"275906"	1769.304602	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Cl"	34.969402
"670515"	2636.472202	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+Cl"	34.969402
"1282919"	902.137002	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl"	34.969402
"28756"	1771.283806	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+K"	36.948606
"466129"	2638.451406	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+K"	36.948606
"835911"	904.116206	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-2H+K"	36.948606
"1568513"	904.116206	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K-2H"	36.948606
"956033"	912.165794	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+HCOOH"	44.998194
"372425"	1779.333401	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+HCOOH-H"	44.998201
"355216"	1793.349051	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Hac-H"	59.013851
"1501861"	926.181451	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Hac-H"	59.013851
"973050"	934.147751	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+NaCOOH"	66.980151
"124510"	902.137002	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2Cl"	69.938804
"562246"	1335.720802	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2Cl"	69.938804
"1029965"	468.553202	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2Cl"	69.938804
"1249543"	946.086485	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Br"	78.918885
"1312354"	948.142472	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+HCOOH"	80.974872
"1325476"	970.124429	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+NaCOOH"	102.956829
"920544"	980.153186	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M-H+CF3COOH"	112.985586
"1296159"	1016.129864	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+CF3COOH"	148.962264
"1377600"	832.154924	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H-2H2O"	-35.012676
"1393637"	850.1649	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H-H2O"	-17.0027
"291503"	1735.342476	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H"	1.007276
"685017"	2602.510076	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H"	1.007276
"1363555"	868.174876	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H"	1.007276
"138267"	868.174876	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2H"	2.014552
"576735"	1301.758676	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2H"	2.014552
"1042620"	434.591076	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2H"	2.014552
"212707"	579.119009333333	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+3H"	3.021828
"658100"	868.174876	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+3H"	3.021828
"1175138"	290.063142666667	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+3H"	3.021828
"436949"	1752.369023	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+NH4"	18.033823
"792478"	2619.536623	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+NH4"	18.033823
"1695006"	885.201423	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+NH4"	18.033823
"344376"	876.6881495	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H+NH4"	19.041099
"738257"	1310.2719495	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H+NH4"	19.041099
"1485512"	443.1043495	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+NH4"	19.041099
"398724"	1757.324418	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Na"	22.989218
"765185"	2624.492018	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+Na"	22.989218
"1610003"	890.156818	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na"	22.989218
"320041"	879.165847	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H+Na"	23.996494
"710275"	1312.749647	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H+Na"	23.996494
"1463005"	445.582047	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+Na"	23.996494
"1057344"	297.390456666667	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2H+Na"	25.00377
"1260113"	900.201086	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+CH3OH+H"	33.033486
"386344"	1773.298358	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+K"	38.963158
"747343"	2640.465958	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+K"	38.963158
"1550491"	906.130758	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K"	38.963158
"310947"	887.152817	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+H+K"	39.970434
"694619"	1320.736617	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+H+K"	39.970434
"1458284"	453.569017	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+K"	39.970434
"251024"	1776.369026	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+ACN+H"	42.033826
"1223611"	909.201426	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+H"	42.033826
"1208951"	455.104351	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+2H"	43.041102
"201096"	1779.30636	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2Na-H"	44.97116
"642112"	2646.47396	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2Na-H"	44.97116
"1142696"	912.13876	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2Na-H"	44.97116
"181615"	890.156818	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2Na"	45.978436
"621173"	1323.740618	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2Na"	45.978436
"1124681"	456.573018	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2Na"	45.978436
"1406017"	304.717770666667	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+2Na"	46.985712
"1435945"	914.180346	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+HCOOH"	47.012746
"226738"	895.18984	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+3H2O+2H"	56.04448
"1513706"	928.23239	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+IsoProp+H"	61.06479
"415581"	898.143788	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+Na+K"	61.952376
"776576"	1331.727588	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+Na+K"	61.952376
"1679471"	464.559988	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na+K"	61.952376
"263441"	1798.350968	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+ACN+Na"	64.015768
"1233233"	931.183368	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+Na"	64.015768
"1726860"	931.206893	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+NH4+HCOOH"	64.039293
"1192707"	312.045084666667	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+3Na"	68.967654
"1660646"	936.162288	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na+HCOOH"	68.994688
"167508"	1811.25424	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2K-H"	76.91904
"609257"	2678.42184	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2K-H"	76.91904
"1098755"	944.08664	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2K-H"	76.91904
"156545"	906.130758	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"2M+2K"	77.926316
"592333"	1339.714558	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"3M+2K"	77.926316
"1073569"	472.546958	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2K"	77.926316
"1107871"	946.101192	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2K+H"	78.933592
"1340244"	946.188807	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+DMSO+H"	79.021207
"1010231"	950.227976	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2ACN+H"	83.060376
"1526171"	951.221608	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+IsoProp+Na+H"	84.054008
"992983"	475.617626	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+2ACN+2H"	84.067652
"1590045"	952.136228	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K+HCOOH"	84.968628
"1417527"	982.167738	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+H+CF3COOH"	115.000138
"1147057"	496.130901	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+3ACN+2H"	125.094202
"1699563"	999.194285	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+NH4+CF3COOH"	132.026685
"1636307"	1004.14968	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+Na+CF3COOH"	136.98208
"1579613"	1020.12362	"C04405"	"(2S3S)-3-Hydroxy-2-methylbutanoyl-CoA;(S)-3-Hydroxy-2-methylbutyryl-CoA"	"C26H44N7O18P3S"	"867.1676"	"M+K+CF3COOH"	152.95602
"806697"	185.0324	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M"	0
"979135"	166.01401	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-H2O-H"	-19.01839
"72850"	122.347657333333	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M-3H"	-3.021828
"509129"	184.025124	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M-3H"	-3.021828
"883649"	60.6701906666667	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-3H"	-3.021828
"1856"	184.025124	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M-2H"	-2.014552
"440808"	276.541324	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M-2H"	-2.014552
"821770"	91.508924	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-2H"	-2.014552
"85043"	369.057524	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M-H"	-1.007276
"523510"	554.089924	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M-H"	-1.007276
"903500"	184.025124	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-H"	-1.007276
"57875"	386.084071	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M-2H+NH4"	16.019271
"491967"	571.116471	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M-2H+NH4"	16.019271
"875239"	201.051671	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-2H+NH4"	16.019271
"43137"	391.039466	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M-2H+Na"	20.974666
"472865"	576.071866	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M-2H+Na"	20.974666
"857228"	206.007066	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-2H+Na"	20.974666
"1633323"	206.007066	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Na-2H"	20.974666
"103291"	202.013463	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M-H+Cl"	33.962126
"542852"	294.529663	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M-H+Cl"	33.962126
"933087"	109.497263	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-H+Cl"	33.962126
"277110"	405.034202	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+Cl"	34.969402
"672812"	590.066602	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+Cl"	34.969402
"1285216"	220.001802	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Cl"	34.969402
"28866"	407.013406	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M-2H+K"	36.948606
"467332"	592.045806	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M-2H+K"	36.948606
"838573"	221.981006	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-2H+K"	36.948606
"1567895"	221.981006	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+K-2H"	36.948606
"952132"	230.030594	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-H+HCOOH"	44.998194
"371440"	415.063001	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+HCOOH-H"	44.998201
"358606"	429.078651	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+Hac-H"	59.013851
"1504157"	244.046251	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Hac-H"	59.013851
"973851"	252.012551	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-H+NaCOOH"	66.980151
"125108"	220.001802	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+2Cl"	69.938804
"562356"	312.518002	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+2Cl"	69.938804
"1028980"	127.485602	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2Cl"	69.938804
"1255122"	263.951285	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Br"	78.918885
"1312100"	266.007272	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Cl+HCOOH"	80.974872
"1327409"	287.989229	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Cl+NaCOOH"	102.956829
"920654"	298.017986	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M-H+CF3COOH"	112.985586
"1296269"	333.994664	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Cl+CF3COOH"	148.962264
"1380262"	150.019724	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H-2H2O"	-35.012676
"1394111"	168.0297	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H-H2O"	-17.0027
"291613"	371.072076	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+H"	1.007276
"688043"	556.104476	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+H"	1.007276
"1363666"	186.039676	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H"	1.007276
"138742"	186.039676	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+2H"	2.014552
"579397"	278.555876	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+2H"	2.014552
"1044917"	93.523476	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2H"	2.014552
"213910"	124.362209333333	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+3H"	3.021828
"658938"	186.039676	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+3H"	3.021828
"1175977"	62.6847426666667	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+3H"	3.021828
"436696"	388.098623	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+NH4"	18.033823
"791495"	573.131023	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+NH4"	18.033823
"1695115"	203.066223	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+NH4"	18.033823
"343029"	194.5529495	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+H+NH4"	19.041099
"737271"	287.0691495	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+H+NH4"	19.041099
"1488902"	102.0367495	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H+NH4"	19.041099
"399927"	393.054018	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+Na"	22.989218
"763108"	578.086418	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+Na"	22.989218
"1610113"	208.021618	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Na"	22.989218
"321243"	197.030647	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+H+Na"	23.996494
"710388"	289.546847	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+H+Na"	23.996494
"1464208"	104.514447	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H+Na"	23.996494
"1057455"	70.0120566666667	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2H+Na"	25.00377
"1261317"	218.065886	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+CH3OH+H"	33.033486
"384266"	409.027958	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+K"	38.963158
"748545"	594.060358	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+K"	38.963158
"1551694"	223.995558	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+K"	38.963158
"311057"	205.017617	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+H+K"	39.970434
"696186"	297.533817	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+H+K"	39.970434
"1459853"	112.501417	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H+K"	39.970434
"249791"	412.098626	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+ACN+H"	42.033826
"1225488"	227.066226	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+ACN+H"	42.033826
"1209219"	114.036751	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+ACN+2H"	43.041102
"202300"	415.03596	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+2Na-H"	44.97116
"644083"	600.06836	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+2Na-H"	44.97116
"1142805"	230.00356	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2Na-H"	44.97116
"180632"	208.021618	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+2Na"	45.978436
"621283"	300.537818	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+2Na"	45.978436
"1124791"	115.505418	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2Na"	45.978436
"1406127"	77.3393706666667	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H+2Na"	46.985712
"1436056"	232.045146	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H+HCOOH"	47.012746
"226848"	213.05464	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+3H2O+2H"	56.04448
"1513816"	246.09719	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+IsoProp+H"	61.06479
"414598"	216.008588	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+Na+K"	61.952376
"777779"	308.524788	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+Na+K"	61.952376
"1678487"	123.492388	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Na+K"	61.952376
"261727"	434.080568	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+ACN+Na"	64.015768
"1236623"	249.048168	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+ACN+Na"	64.015768
"1727942"	249.071693	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+NH4+HCOOH"	64.039293
"1193544"	84.6666846666667	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+3Na"	68.967654
"1664035"	254.027088	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Na+HCOOH"	68.994688
"166524"	446.98384	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+2K-H"	76.91904
"611554"	632.01624	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+2K-H"	76.91904
"1098984"	261.95144	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2K-H"	76.91904
"155922"	223.995558	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"2M+2K"	77.926316
"591350"	316.511758	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"3M+2K"	77.926316
"1075866"	131.479358	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2K"	77.926316
"1107981"	263.965992	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2K+H"	78.933592
"1341083"	264.053607	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+DMSO+H"	79.021207
"1009612"	268.092776	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2ACN+H"	83.060376
"1526645"	269.086408	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+IsoProp+Na+H"	84.054008
"993093"	134.550026	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+2ACN+2H"	84.067652
"1598540"	270.001028	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+K+HCOOH"	84.968628
"1415451"	300.032538	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+H+CF3COOH"	115.000138
"1150113"	155.063301	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+3ACN+2H"	125.094202
"1699673"	317.059085	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+NH4+CF3COOH"	132.026685
"1641884"	322.01448	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+Na+CF3COOH"	136.98208
"1576441"	337.98842	"C04409"	"2-Amino-3-carboxymuconate semialdehyde;2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate;2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate"	"C7H7NO5"	"185.0324"	"M+K+CF3COOH"	152.95602
"807900"	176.0685	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M"	0
"979245"	157.05011	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-H2O-H"	-19.01839
"76239"	116.371724	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M-3H"	-3.021828
"509237"	175.061224	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M-3H"	-3.021828
"887039"	57.682224	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-3H"	-3.021828
"630"	175.061224	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M-2H"	-2.014552
"440143"	263.095474	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M-2H"	-2.014552
"817505"	87.026974	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-2H"	-2.014552
"81873"	351.129724	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M-H"	-1.007276
"521433"	527.198224	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M-H"	-1.007276
"898142"	175.061224	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-H"	-1.007276
"52519"	368.156271	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M-2H+NH4"	16.019271
"488797"	544.224771	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M-2H+NH4"	16.019271
"869881"	192.087771	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-2H+NH4"	16.019271
"39967"	373.111666	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M-2H+Na"	20.974666
"474068"	549.180166	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M-2H+Na"	20.974666
"857338"	197.043166	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-2H+Na"	20.974666
"1629058"	197.043166	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Na-2H"	20.974666
"102308"	193.049563	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M-H+Cl"	33.962126
"539682"	281.083813	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M-H+Cl"	33.962126
"933197"	105.015313	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-H+Cl"	33.962126
"277220"	387.106402	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+Cl"	34.969402
"670735"	563.174902	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+Cl"	34.969402
"1279859"	211.037902	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Cl"	34.969402
"26789"	389.085606	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M-2H+K"	36.948606
"464162"	565.154106	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M-2H+K"	36.948606
"837589"	213.017106	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-2H+K"	36.948606
"1568005"	213.017106	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+K-2H"	36.948606
"952242"	221.066694	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-H+HCOOH"	44.998194
"371550"	397.135201	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+HCOOH-H"	44.998201
"358716"	411.150851	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+Hac-H"	59.013851
"1506453"	235.082351	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Hac-H"	59.013851
"974001"	243.048651	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-H+NaCOOH"	66.980151
"124729"	211.037902	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+2Cl"	69.938804
"560279"	299.072152	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+2Cl"	69.938804
"1029089"	123.003652	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2Cl"	69.938804
"1249763"	254.987385	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Br"	78.918885
"1313302"	257.043372	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Cl+HCOOH"	80.974872
"1329706"	279.025329	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Cl+NaCOOH"	102.956829
"919670"	289.054086	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M-H+CF3COOH"	112.985586
"1295285"	325.030764	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Cl+CF3COOH"	148.962264
"1380007"	141.055824	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H-2H2O"	-35.012676
"1394222"	159.0658	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H-H2O"	-17.0027
"288444"	353.144276	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+H"	1.007276
"684873"	529.212776	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+H"	1.007276
"1365234"	177.075776	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H"	1.007276
"137759"	177.075776	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+2H"	2.014552
"578413"	265.110026	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+2H"	2.014552
"1045027"	89.041526	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2H"	2.014552
"212928"	118.386276	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+3H"	3.021828
"659294"	177.075776	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+3H"	3.021828
"1176450"	59.696776	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+3H"	3.021828
"436806"	370.170823	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+NH4"	18.033823
"792698"	546.239323	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+NH4"	18.033823
"1691217"	194.102323	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+NH4"	18.033823
"341681"	185.5890495	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+H+NH4"	19.041099
"736896"	273.6232995	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+H+NH4"	19.041099
"1486826"	97.5547995	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H+NH4"	19.041099
"398944"	375.126218	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+Na"	22.989218
"761032"	551.194718	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+Na"	22.989218
"1611316"	199.057718	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Na"	22.989218
"321353"	188.066747	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+H+Na"	23.996494
"710498"	276.100997	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+H+Na"	23.996494
"1462374"	100.032497	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H+Na"	23.996494
"1056472"	67.02409	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2H+Na"	25.00377
"1258511"	209.101986	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+CH3OH+H"	33.033486
"382190"	391.100158	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+K"	38.963158
"746468"	567.168658	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+K"	38.963158
"1551804"	215.031658	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+K"	38.963158
"308980"	196.053717	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+H+K"	39.970434
"694839"	284.087967	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+H+K"	39.970434
"1457776"	108.019467	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H+K"	39.970434
"246013"	394.170826	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+ACN+H"	42.033826
"1224190"	218.102326	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+ACN+H"	42.033826
"1206614"	109.554801	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+ACN+2H"	43.041102
"202044"	397.10816	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+2Na-H"	44.97116
"643300"	573.17666	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+2Na-H"	44.97116
"1141822"	221.03966	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2Na-H"	44.97116
"181835"	199.057718	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+2Na"	45.978436
"619207"	287.091968	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+2Na"	45.978436
"1122350"	111.023468	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2Na"	45.978436
"1405144"	74.351404	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H+2Na"	46.985712
"1435073"	223.081246	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H+HCOOH"	47.012746
"226958"	204.09074	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+3H2O+2H"	56.04448
"1512833"	237.13329	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+IsoProp+H"	61.06479
"413614"	207.044688	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+Na+K"	61.952376
"774609"	295.078938	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+Na+K"	61.952376
"1678597"	119.010438	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Na+K"	61.952376
"261837"	416.152768	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+ACN+Na"	64.015768
"1236733"	240.084268	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+ACN+Na"	64.015768
"1728372"	240.107793	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+NH4+HCOOH"	64.039293
"1189884"	81.678718	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+3Na"	68.967654
"1657585"	245.063188	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Na+HCOOH"	68.994688
"166633"	429.05604	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+2K-H"	76.91904
"606195"	605.12454	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+2K-H"	76.91904
"1095083"	252.98754	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2K-H"	76.91904
"156639"	215.031658	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"2M+2K"	77.926316
"588180"	303.065908	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"3M+2K"	77.926316
"1075976"	126.997408	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2K"	77.926316
"1108091"	255.002092	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2K+H"	78.933592
"1340099"	255.089707	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+DMSO+H"	79.021207
"1007899"	259.128876	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2ACN+H"	83.060376
"1526390"	260.122508	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+IsoProp+Na+H"	84.054008
"993203"	130.068076	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+2ACN+2H"	84.067652
"1598650"	261.037128	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+K+HCOOH"	84.968628
"1415803"	291.068638	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+H+CF3COOH"	115.000138
"1149130"	150.581351	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+3ACN+2H"	125.094202
"1701970"	308.095185	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+NH4+CF3COOH"	132.026685
"1641994"	313.05058	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+Na+CF3COOH"	136.98208
"1577644"	329.02452	"C04411"	"(2R3S)-3-Isopropylmalate;3-Isopropylmalate;3-Carboxy-2-hydroxy-4-methylpentanoate;2-D-threo-Hydroxy-3-carboxy-isocaproate"	"C7H12O5"	"176.0685"	"M+K+CF3COOH"	152.95602
"806917"	326.1002	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M"	0
"978262"	307.08181	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-H2O-H"	-19.01839
"73069"	216.392857333333	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M-3H"	-3.021828
"507161"	325.092924	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M-3H"	-3.021828
"882776"	107.692790666667	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-3H"	-3.021828
"132"	325.092924	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M-2H"	-2.014552
"441513"	488.143024	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M-2H"	-2.014552
"819073"	162.042824	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-2H"	-2.014552
"83077"	651.193124	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M-H"	-1.007276
"524823"	977.293324	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M-H"	-1.007276
"897158"	325.092924	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-H"	-1.007276
"54815"	668.219671	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M-2H+NH4"	16.019271
"488907"	994.319871	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M-2H+NH4"	16.019271
"868898"	342.119471	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-2H+NH4"	16.019271
"35705"	673.175066	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M-2H+Na"	20.974666
"474178"	999.275266	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M-2H+Na"	20.974666
"855261"	347.074866	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-2H+Na"	20.974666
"1623700"	347.074866	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Na-2H"	20.974666
"102418"	343.081263	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M-H+Cl"	33.962126
"539792"	506.131363	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M-H+Cl"	33.962126
"936587"	180.031163	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-H+Cl"	33.962126
"277330"	687.169802	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+Cl"	34.969402
"674125"	1013.270002	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+Cl"	34.969402
"1283249"	361.069602	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Cl"	34.969402
"28723"	689.149006	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M-2H+K"	36.948606
"465366"	1015.249206	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M-2H+K"	36.948606
"836606"	363.048806	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-2H+K"	36.948606
"1564468"	363.048806	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+K-2H"	36.948606
"950163"	371.098394	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-H+HCOOH"	44.998194
"369474"	697.198601	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+HCOOH-H"	44.998201
"355546"	711.214251	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+Hac-H"	59.013851
"1504377"	385.114051	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Hac-H"	59.013851
"967545"	393.080351	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-H+NaCOOH"	66.980151
"124109"	361.069602	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+2Cl"	69.938804
"556379"	524.119702	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+2Cl"	69.938804
"1030287"	198.019502	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2Cl"	69.938804
"1250966"	405.019085	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Br"	78.918885
"1312318"	407.075072	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Cl+HCOOH"	80.974872
"1328721"	429.057029	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Cl+NaCOOH"	102.956829
"914676"	439.085786	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M-H+CF3COOH"	112.985586
"1295395"	475.062464	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Cl+CF3COOH"	148.962264
"1377929"	291.087524	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H-2H2O"	-35.012676
"1394332"	309.0975	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H-H2O"	-17.0027
"286001"	653.207676	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+H"	1.007276
"687899"	979.307876	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+H"	1.007276
"1366683"	327.107476	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H"	1.007276
"138601"	327.107476	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+2H"	2.014552
"578523"	490.157576	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+2H"	2.014552
"1042949"	164.057376	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2H"	2.014552
"216317"	218.407409333333	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+3H"	3.021828
"659607"	327.107476	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+3H"	3.021828
"1175100"	109.707342666667	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+3H"	3.021828
"432907"	670.234223	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+NH4"	18.033823
"791714"	996.334423	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+NH4"	18.033823
"1692420"	344.134023	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+NH4"	18.033823
"340697"	335.6207495	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+H+NH4"	19.041099
"737248"	498.6708495	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+H+NH4"	19.041099
"1484748"	172.5706495	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H+NH4"	19.041099
"401241"	675.189618	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+Na"	22.989218
"763330"	1001.289818	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+Na"	22.989218
"1610334"	349.089418	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Na"	22.989218
"323286"	338.098447	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+H+Na"	23.996494
"712794"	501.148547	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+H+Na"	23.996494
"1465523"	175.048347	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H+Na"	23.996494
"1057675"	117.034656666667	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2H+Na"	25.00377
"1259351"	359.133686	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+CH3OH+H"	33.033486
"382301"	691.163558	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+K"	38.963158
"746578"	1017.263758	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+K"	38.963158
"1550820"	365.063358	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+K"	38.963158
"309090"	346.085417	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+H+K"	39.970434
"693855"	509.135517	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+H+K"	39.970434
"1459222"	183.035317	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H+K"	39.970434
"246123"	694.234226	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+ACN+H"	42.033826
"1224300"	368.134026	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+ACN+H"	42.033826
"1207817"	184.570651	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+ACN+2H"	43.041102
"200698"	697.17156	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+2Na-H"	44.97116
"642802"	1023.27176	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+2Na-H"	44.97116
"1142662"	371.07136	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2Na-H"	44.97116
"184856"	349.089418	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+2Na"	45.978436
"622963"	512.139518	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+2Na"	45.978436
"1123915"	186.039318	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2Na"	45.978436
"1405619"	124.361970666667	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H+2Na"	46.985712
"1438100"	373.112946	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H+HCOOH"	47.012746
"224881"	354.12244	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+3H2O+2H"	56.04448
"1510756"	387.16499	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+IsoProp+H"	61.06479
"413724"	357.076388	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+Na+K"	61.952376
"774719"	520.126488	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+Na+K"	61.952376
"1679800"	194.026288	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Na+K"	61.952376
"263041"	716.216168	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+ACN+Na"	64.015768
"1239396"	390.115968	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+ACN+Na"	64.015768
"1727197"	390.139493	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+NH4+HCOOH"	64.039293
"1191087"	131.689284666667	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+3Na"	68.967654
"1665354"	395.094888	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Na+HCOOH"	68.994688
"167838"	729.11944	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+2K-H"	76.91904
"606304"	1055.21964	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+2K-H"	76.91904
"1093006"	403.01924	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2K-H"	76.91904
"150916"	365.063358	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"2M+2K"	77.926316
"591570"	528.113458	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"3M+2K"	77.926316
"1079366"	202.013258	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2K"	77.926316
"1108201"	405.033792	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2K+H"	78.933592
"1344584"	405.121407	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+DMSO+H"	79.021207
"1012021"	409.160576	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2ACN+H"	83.060376
"1532334"	410.154208	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+IsoProp+Na+H"	84.054008
"992584"	205.083926	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+2ACN+2H"	84.067652
"1593293"	411.068828	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+K+HCOOH"	84.968628
"1415671"	441.100338	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+H+CF3COOH"	115.000138
"1147659"	225.597201	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+3ACN+2H"	125.094202
"1700987"	458.126885	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+NH4+CF3COOH"	132.026685
"1641011"	463.08228	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+Na+CF3COOH"	136.98208
"1577754"	479.05622	"C04415"	"4-O-beta-D-Glucosyl-4-hydroxycinnamate"	"C15H18O8"	"326.1002"	"M+K+CF3COOH"	152.95602
"816144"	414.3498	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M"	0
"987855"	395.33141	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-H2O-H"	-19.01839
"68805"	275.225924	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M-3H"	-3.021828
"509457"	413.342524	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M-3H"	-3.021828
"887258"	137.109324	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-3H"	-3.021828
"6926"	413.342524	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M-2H"	-2.014552
"448672"	620.517424	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M-2H"	-2.014552
"821005"	206.167624	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-2H"	-2.014552
"82095"	827.692324	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M-H"	-1.007276
"519469"	1242.042124	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M-H"	-1.007276
"899457"	413.342524	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-H"	-1.007276
"49459"	844.718871	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M-2H+NH4"	16.019271
"489381"	1259.068671	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M-2H+NH4"	16.019271
"867915"	430.369071	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-2H+NH4"	16.019271
"35816"	849.674266	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M-2H+Na"	20.974666
"471613"	1264.024066	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M-2H+Na"	20.974666
"858650"	435.324466	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-2H+Na"	20.974666
"1629281"	435.324466	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Na-2H"	20.974666
"102531"	431.330863	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M-H+Cl"	33.962126
"536623"	638.505763	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M-H+Cl"	33.962126
"929044"	224.155963	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-H+Cl"	33.962126
"267228"	863.669002	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+Cl"	34.969402
"660628"	1278.018802	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+Cl"	34.969402
"1272793"	449.319202	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Cl"	34.969402
"16275"	865.648206	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M-2H+K"	36.948606
"458914"	1279.998006	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M-2H+K"	36.948606
"836716"	451.298406	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-2H+K"	36.948606
"1558019"	451.298406	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+K-2H"	36.948606
"949550"	459.347994	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-H+HCOOH"	44.998194
"363755"	873.697801	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+HCOOH-H"	44.998201
"348367"	887.713451	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+Hac-H"	59.013851
"1494649"	473.363651	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Hac-H"	59.013851
"959069"	481.329951	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-H+NaCOOH"	66.980151
"114746"	449.319202	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+2Cl"	69.938804
"553942"	656.494102	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+2Cl"	69.938804
"1026028"	242.144302	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2Cl"	69.938804
"1247791"	493.268685	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Br"	78.918885
"1308415"	495.324672	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Cl+HCOOH"	80.974872
"1323359"	517.306629	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Cl+NaCOOH"	102.956829
"913328"	527.335386	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M-H+CF3COOH"	112.985586
"1290518"	563.312064	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Cl+CF3COOH"	148.962264
"1370748"	379.337124	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H-2H2O"	-35.012676
"1385693"	397.3471	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H-H2O"	-17.0027
"289754"	829.706876	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+H"	1.007276
"680354"	1244.056676	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+H"	1.007276
"1360718"	415.357076	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H"	1.007276
"136888"	415.357076	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+2H"	2.014552
"569886"	622.531976	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+2H"	2.014552
"1046341"	208.182176	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2H"	2.014552
"213148"	277.240476	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+3H"	3.021828
"655990"	415.357076	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+3H"	3.021828
"1163183"	139.123876	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+3H"	3.021828
"428641"	846.733423	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+NH4"	18.033823
"792918"	1261.083223	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+NH4"	18.033823
"1687057"	432.383623	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+NH4"	18.033823
"336428"	423.8703495	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+H+NH4"	19.041099
"724477"	631.0452495	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+H+NH4"	19.041099
"1479390"	216.6954495	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H+NH4"	19.041099
"395882"	851.688818	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+Na"	22.989218
"756882"	1266.038618	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+Na"	22.989218
"1604980"	437.339018	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Na"	22.989218
"316472"	426.348047	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+H+Na"	23.996494
"708043"	633.522947	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+H+Na"	23.996494
"1463080"	219.173147	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H+Na"	23.996494
"1057786"	146.45119	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2H+Na"	25.00377
"1262744"	447.383286	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+CH3OH+H"	33.033486
"390066"	867.662758	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+K"	38.963158
"747785"	1282.012558	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+K"	38.963158
"1552754"	453.312958	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+K"	38.963158
"309931"	434.335017	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+H+K"	39.970434
"705270"	641.509917	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+H+K"	39.970434
"1459820"	227.160117	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H+K"	39.970434
"247327"	870.733426	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+ACN+H"	42.033826
"1223319"	456.383626	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+ACN+H"	42.033826
"1205012"	228.695451	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+ACN+2H"	43.041102
"202623"	873.67076	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+2Na-H"	44.97116
"641456"	1288.02056	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+2Na-H"	44.97116
"1144960"	459.32096	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2Na-H"	44.97116
"184240"	437.339018	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+2Na"	45.978436
"623071"	644.513918	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+2Na"	45.978436
"1127307"	230.164118	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2Na"	45.978436
"1402083"	153.778504	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H+2Na"	46.985712
"1441860"	461.362546	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H+HCOOH"	47.012746
"231555"	442.37204	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+3H2O+2H"	56.04448
"1515242"	475.41459	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+IsoProp+H"	61.06479
"418209"	445.325988	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+Na+K"	61.952376
"777019"	652.500888	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+Na+K"	61.952376
"1675537"	238.151088	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Na+K"	61.952376
"260965"	892.715368	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+ACN+Na"	64.015768
"1236227"	478.365568	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+ACN+Na"	64.015768
"1724745"	478.389093	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+NH4+HCOOH"	64.039293
"1191194"	161.105818	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+3Na"	68.967654
"1661086"	483.344488	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Na+HCOOH"	68.994688
"167948"	905.61864	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+2K-H"	76.91904
"608604"	1319.96844	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+2K-H"	76.91904
"1089836"	491.26884	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2K-H"	76.91904
"151027"	453.312958	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"2M+2K"	77.926316
"593871"	660.487858	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"3M+2K"	77.926316
"1081664"	246.138058	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2K"	77.926316
"1114145"	493.283392	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2K+H"	78.933592
"1338862"	493.371007	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+DMSO+H"	79.021207
"1009944"	497.410176	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2ACN+H"	83.060376
"1529163"	498.403808	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+IsoProp+Na+H"	84.054008
"993423"	249.208726	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+2ACN+2H"	84.067652
"1590123"	499.318428	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+K+HCOOH"	84.968628
"1420157"	529.349938	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+H+CF3COOH"	115.000138
"1151544"	269.722001	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+3ACN+2H"	125.094202
"1702190"	546.376485	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+NH4+CF3COOH"	132.026685
"1641121"	551.33188	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+Na+CF3COOH"	136.98208
"1577864"	567.30582	"C04416"	"5alpha-Ergosta-722-diene-3beta5-diol"	"C28H46O2"	"414.3498"	"M+K+CF3COOH"	152.95602
"809325"	621.9462	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M"	0
"987234"	602.92781	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-H2O-H"	-19.01839
"70008"	413.623524	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M-3H"	-3.021828
"510661"	620.938924	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M-3H"	-3.021828
"884088"	206.308124	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-3H"	-3.021828
"3756"	620.938924	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M-2H"	-2.014552
"442221"	931.912024	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M-2H"	-2.014552
"818686"	309.965824	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-2H"	-2.014552
"79166"	1242.885124	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M-H"	-1.007276
"519819"	1864.831324	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M-H"	-1.007276
"897743"	620.938924	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-H"	-1.007276
"51021"	1259.911671	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M-2H+NH4"	16.019271
"491311"	1881.857871	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M-2H+NH4"	16.019271
"866441"	637.965471	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-2H+NH4"	16.019271
"32647"	1264.867066	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M-2H+Na"	20.974666
"472331"	1886.813266	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M-2H+Na"	20.974666
"860588"	642.920866	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-2H+Na"	20.974666
"1629392"	642.920866	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Na-2H"	20.974666
"97172"	638.927263	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M-H+Cl"	33.962126
"538919"	949.900363	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M-H+Cl"	33.962126
"931341"	327.954163	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-H+Cl"	33.962126
"272085"	1278.861802	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+Cl"	34.969402
"664504"	1900.808002	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+Cl"	34.969402
"1273742"	656.915602	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Cl"	34.969402
"16175"	1280.841006	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M-2H+K"	36.948606
"459023"	1902.787206	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M-2H+K"	36.948606
"840107"	658.894806	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-2H+K"	36.948606
"1557402"	658.894806	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+K-2H"	36.948606
"944921"	666.944394	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-H+HCOOH"	44.998194
"366781"	1288.890601	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+HCOOH-H"	44.998201
"350301"	1302.906251	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+Hac-H"	59.013851
"1497678"	680.960051	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Hac-H"	59.013851
"966682"	688.926351	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-H+NaCOOH"	66.980151
"115950"	656.915602	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+2Cl"	69.938804
"553694"	967.888702	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+2Cl"	69.938804
"1027233"	345.942502	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2Cl"	69.938804
"1251183"	700.865085	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Br"	78.918885
"1309984"	702.921072	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Cl+HCOOH"	80.974872
"1324928"	724.903029	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Cl+NaCOOH"	102.956829
"913799"	734.931786	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M-H+CF3COOH"	112.985586
"1290874"	770.908464	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Cl+CF3COOH"	148.962264
"1371223"	586.933524	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H-2H2O"	-35.012676
"1386533"	604.9435	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H-H2O"	-17.0027
"285127"	1244.899676	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+H"	1.007276
"681199"	1866.845876	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+H"	1.007276
"1357547"	622.953476	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H"	1.007276
"135904"	622.953476	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+2H"	2.014552
"575464"	933.926576	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+2H"	2.014552
"1046452"	311.980376	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2H"	2.014552
"214354"	415.638076	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+3H"	3.021828
"656099"	622.953476	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+3H"	3.021828
"1164748"	208.322676	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+3H"	3.021828
"433126"	1261.926223	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+NH4"	18.033823
"796308"	1883.872423	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+NH4"	18.033823
"1687167"	639.980023	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+NH4"	18.033823
"333625"	631.4667495	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+H+NH4"	19.041099
"724100"	942.4398495	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+H+NH4"	19.041099
"1480591"	320.4936495	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H+NH4"	19.041099
"395992"	1266.881618	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+Na"	22.989218
"760274"	1888.827818	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+Na"	22.989218
"1603303"	644.935418	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Na"	22.989218
"315490"	633.944447	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+H+Na"	23.996494
"708883"	944.917547	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+H+Na"	23.996494
"1465744"	322.971347	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H+Na"	23.996494
"1057895"	215.64999	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2H+Na"	25.00377
"1263947"	654.979686	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+CH3OH+H"	33.033486
"389813"	1282.855558	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+K"	38.963158
"747894"	1904.801758	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+K"	38.963158
"1553957"	660.909358	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+K"	38.963158
"312592"	641.931417	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+H+K"	39.970434
"706108"	952.904517	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+H+K"	39.970434
"1456649"	330.958317	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H+K"	39.970434
"248531"	1285.926226	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+ACN+H"	42.033826
"1216864"	663.980026	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+ACN+H"	42.033826
"1201840"	332.493651	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+ACN+2H"	43.041102
"195807"	1288.86356	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+2Na-H"	44.97116
"637552"	1910.80976	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+2Na-H"	44.97116
"1142516"	666.91736	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2Na-H"	44.97116
"184349"	644.935418	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+2Na"	45.978436
"623909"	955.908518	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+2Na"	45.978436
"1120861"	333.962318	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2Na"	45.978436
"1410948"	222.977304	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H+2Na"	46.985712
"1442334"	668.958946	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H+HCOOH"	47.012746
"226197"	649.96844	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+3H2O+2H"	56.04448
"1514259"	683.01099	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+IsoProp+H"	61.06479
"415040"	652.922388	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+Na+K"	61.952376
"777130"	963.895488	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+Na+K"	61.952376
"1673097"	341.949288	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Na+K"	61.952376
"266179"	1307.908168	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+ACN+Na"	64.015768
"1234876"	685.961968	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+ACN+Na"	64.015768
"1723034"	685.985493	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+NH4+HCOOH"	64.039293
"1188752"	230.304618	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+3Na"	68.967654
"1660103"	690.940888	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Na+HCOOH"	68.994688
"168058"	1320.81144	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+2K-H"	76.91904
"606525"	1942.75764	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+2K-H"	76.91904
"1086667"	698.86524	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2K-H"	76.91904
"151137"	660.909358	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"2M+2K"	77.926316
"588511"	971.882458	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"3M+2K"	77.926316
"1082865"	349.936258	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2K"	77.926316
"1101858"	700.879792	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2K+H"	78.933592
"1337879"	700.967407	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+DMSO+H"	79.021207
"1010057"	705.006576	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2ACN+H"	83.060376
"1529276"	706.000208	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+IsoProp+Na+H"	84.054008
"993541"	353.006926	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+2ACN+2H"	84.067652
"1593514"	706.914828	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+K+HCOOH"	84.968628
"1420267"	736.946338	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+H+CF3COOH"	115.000138
"1150557"	373.520201	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+3ACN+2H"	125.094202
"1702296"	753.972885	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+NH4+CF3COOH"	132.026685
"1636856"	758.92828	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+Na+CF3COOH"	136.98208
"1580164"	774.90222	"C04418"	"N-Acetyl-L-phenylalanyl-L-diiodotyrosine;N-Acetylphenylalanyl-35-diiodotyrosine"	"C20H20I2N2O5"	"621.9462"	"M+K+CF3COOH"	152.95602
"801902"	324.1056	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M"	0
"986252"	305.08721	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-H2O-H"	-19.01839
"70121"	215.063124	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M-3H"	-3.021828
"507492"	323.098324	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M-3H"	-3.021828
"883106"	107.027924	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-3H"	-3.021828
"3867"	323.098324	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M-2H"	-2.014552
"440750"	485.151124	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M-2H"	-2.014552
"818310"	161.045524	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-2H"	-2.014552
"79317"	647.203924	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M-H"	-1.007276
"520783"	971.309524	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M-H"	-1.007276
"899679"	323.098324	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-H"	-1.007276
"47613"	664.230471	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M-2H+NH4"	16.019271
"488508"	988.336071	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M-2H+NH4"	16.019271
"865217"	340.124871	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-2H+NH4"	16.019271
"32270"	669.185866	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M-2H+Na"	20.974666
"477789"	993.291466	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M-2H+Na"	20.974666
"853404"	345.080266	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-2H+Na"	20.974666
"1627316"	345.080266	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Na-2H"	20.974666
"99471"	341.086663	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M-H+Cl"	33.962126
"536843"	503.139463	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M-H+Cl"	33.962126
"933639"	179.033863	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-H+Cl"	33.962126
"267452"	683.180602	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+Cl"	34.969402
"661577"	1007.286202	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+Cl"	34.969402
"1275317"	359.075002	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Cl"	34.969402
"19575"	685.159806	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M-2H+K"	36.948606
"455974"	1009.265406	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M-2H+K"	36.948606
"843497"	361.054206	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-2H+K"	36.948606
"1562613"	361.054206	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+K-2H"	36.948606
"947946"	369.103794	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-H+HCOOH"	44.998194
"364337"	693.209401	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+HCOOH-H"	44.998201
"350409"	707.225051	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+Hac-H"	59.013851
"1493409"	383.119451	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Hac-H"	59.013851
"965696"	391.085751	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-H+NaCOOH"	66.980151
"110546"	359.075002	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+2Cl"	69.938804
"560733"	521.127802	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+2Cl"	69.938804
"1025158"	197.022202	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2Cl"	69.938804
"1249111"	403.024485	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Br"	78.918885
"1311558"	405.080472	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Cl+HCOOH"	80.974872
"1329053"	427.062429	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Cl+NaCOOH"	102.956829
"916103"	437.091186	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M-H+CF3COOH"	112.985586
"1290259"	473.067864	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Cl+CF3COOH"	148.962264
"1372795"	289.092924	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H-2H2O"	-35.012676
"1388104"	307.1029	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H-H2O"	-17.0027
"292163"	649.218476	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+H"	1.007276
"682398"	973.324076	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+H"	1.007276
"1360938"	325.112876	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H"	1.007276
"140997"	325.112876	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+2H"	2.014552
"577763"	487.165676	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+2H"	2.014552
"1045470"	163.060076	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2H"	2.014552
"214463"	217.077676	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+3H"	3.021828
"656210"	325.112876	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+3H"	3.021828
"1165953"	109.042476	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+3H"	3.021828
"431049"	666.245023	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+NH4"	18.033823
"796418"	990.350623	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+NH4"	18.033823
"1688375"	342.139423	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+NH4"	18.033823
"336655"	333.6261495	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+H+NH4"	19.041099
"726157"	495.6789495	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+H+NH4"	19.041099
"1479611"	171.5733495	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H+NH4"	19.041099
"396101"	671.200418	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+Na"	22.989218
"755762"	995.306018	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+Na"	22.989218
"1606660"	347.094818	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Na"	22.989218
"319614"	336.103847	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+H+Na"	23.996494
"713127"	498.156647	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+H+Na"	23.996494
"1468041"	174.051047	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H+Na"	23.996494
"1061289"	116.36979	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2H+Na"	25.00377
"1267342"	357.139086	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+CH3OH+H"	33.033486
"387008"	687.174358	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+K"	38.963158
"751285"	1011.279958	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+K"	38.963158
"1550061"	363.068758	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+K"	38.963158
"313431"	344.090817	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+H+K"	39.970434
"705854"	506.143617	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+H+K"	39.970434
"1454573"	182.038017	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H+K"	39.970434
"244268"	690.245026	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+ACN+H"	42.033826
"1215880"	366.139426	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+ACN+H"	42.033826
"1200857"	183.573351	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+ACN+2H"	43.041102
"200293"	693.18236	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+2Na-H"	44.97116
"636572"	1017.28796	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+2Na-H"	44.97116
"1142265"	369.07676	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2Na-H"	44.97116
"181180"	347.094818	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+2Na"	45.978436
"622926"	509.147618	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+2Na"	45.978436
"1120970"	185.042018	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2Na"	45.978436
"1412881"	123.697104	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H+2Na"	46.985712
"1443177"	371.118346	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H+HCOOH"	47.012746
"231778"	352.12784	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+3H2O+2H"	56.04448
"1518746"	385.17039	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+IsoProp+H"	61.06479
"417338"	355.081788	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+Na+K"	61.952376
"780158"	517.134588	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+Na+K"	61.952376
"1678311"	193.028988	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Na+K"	61.952376
"263739"	712.226968	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+ACN+Na"	64.015768
"1239727"	388.121368	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+ACN+Na"	64.015768
"1728174"	388.144893	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+NH4+HCOOH"	64.039293
"1193238"	131.024418	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+3Na"	68.967654
"1665361"	393.100288	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Na+HCOOH"	68.994688
"172633"	725.13024	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+2K-H"	76.91904
"609918"	1049.23584	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+2K-H"	76.91904
"1093337"	401.02464	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2K-H"	76.91904
"151247"	363.068758	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"2M+2K"	77.926316
"588621"	525.121558	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"3M+2K"	77.926316
"1072040"	201.015958	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2K"	77.926316
"1107436"	403.039192	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2K+H"	78.933592
"1339812"	403.126807	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+DMSO+H"	79.021207
"1010165"	407.165976	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2ACN+H"	83.060376
"1526108"	408.159608	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+IsoProp+Na+H"	84.054008
"992918"	204.086626	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+2ACN+2H"	84.067652
"1592531"	409.074228	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+K+HCOOH"	84.968628
"1420377"	439.105738	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+H+CF3COOH"	115.000138
"1153947"	224.599901	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+3ACN+2H"	125.094202
"1702405"	456.132285	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+NH4+CF3COOH"	132.026685
"1642433"	461.08768	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+Na+CF3COOH"	136.98208
"1580275"	477.06162	"C04420"	"D-Fructofuranose 12:23-dianhydride"	"C12H20O10"	"324.1056"	"M+K+CF3COOH"	152.95602
"816440"	290.1114	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M"	0
"988914"	271.09301	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-H2O-H"	-19.01839
"75698"	192.400324	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M-3H"	-3.021828
"510886"	289.104124	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M-3H"	-3.021828
"885407"	95.696524	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-3H"	-3.021828
"12729"	289.104124	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M-2H"	-2.014552
"453018"	434.159824	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M-2H"	-2.014552
"823529"	144.048424	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-2H"	-2.014552
"81333"	579.215524	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M-H"	-1.007276
"519800"	869.326924	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M-H"	-1.007276
"895820"	289.104124	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-H"	-1.007276
"48699"	596.242071	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M-2H+NH4"	16.019271
"491541"	886.353471	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M-2H+NH4"	16.019271
"866063"	306.130671	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-2H+NH4"	16.019271
"31896"	601.197466	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M-2H+Na"	20.974666
"477899"	891.308866	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M-2H+Na"	20.974666
"853514"	311.086066	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-2H+Na"	20.974666
"1629612"	311.086066	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Na-2H"	20.974666
"105049"	307.092463	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M-H+Cl"	33.962126
"543516"	452.148163	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M-H+Cl"	33.962126
"933751"	162.036763	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-H+Cl"	33.962126
"272306"	615.192202	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+Cl"	34.969402
"661808"	905.303602	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+Cl"	34.969402
"1275306"	325.080802	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Cl"	34.969402
"19685"	617.171406	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M-2H+K"	36.948606
"456118"	907.282806	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M-2H+K"	36.948606
"840327"	327.060006	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-2H+K"	36.948606
"1563816"	327.060006	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+K-2H"	36.948606
"948421"	335.109594	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-H+HCOOH"	44.998194
"365542"	625.221001	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+HCOOH-H"	44.998201
"354894"	639.236651	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+Hac-H"	59.013851
"1493883"	349.125251	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Hac-H"	59.013851
"965806"	357.091551	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-H+NaCOOH"	66.980151
"110576"	325.080802	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+2Cl"	69.938804
"561936"	470.136502	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+2Cl"	69.938804
"1028548"	180.025102	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2Cl"	69.938804
"1251407"	369.030285	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Br"	78.918885
"1312761"	371.086272	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Cl+HCOOH"	80.974872
"1328070"	393.068229	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Cl+NaCOOH"	102.956829
"915120"	403.096986	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M-H+CF3COOH"	112.985586
"1291463"	439.073664	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Cl+CF3COOH"	148.962264
"1369623"	255.098724	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H-2H2O"	-35.012676
"1386389"	273.1087	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H-H2O"	-17.0027
"284981"	581.230076	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+H"	1.007276
"683602"	871.341476	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+H"	1.007276
"1359957"	291.118676	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H"	1.007276
"138313"	291.118676	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+2H"	2.014552
"570219"	436.174376	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+2H"	2.014552
"1044486"	146.062976	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2H"	2.014552
"213479"	194.414876	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+3H"	3.021828
"653041"	291.118676	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+3H"	3.021828
"1172262"	97.711076	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+3H"	3.021828
"432251"	598.256623	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+NH4"	18.033823
"795435"	888.368023	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+NH4"	18.033823
"1689577"	308.145223	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+NH4"	18.033823
"337855"	299.6319495	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+H+NH4"	19.041099
"726997"	444.6876495	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+H+NH4"	19.041099
"1480817"	154.5762495	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H+NH4"	19.041099
"396213"	603.212018	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+Na"	22.989218
"755145"	893.323418	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+Na"	22.989218
"1606770"	313.100618	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Na"	22.989218
"316078"	302.109647	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+H+Na"	23.996494
"711052"	447.165347	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+H+Na"	23.996494
"1463776"	157.053947	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H+Na"	23.996494
"1054469"	105.03839	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2H+Na"	25.00377
"1261252"	323.144886	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+CH3OH+H"	33.033486
"383840"	619.185958	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+K"	38.963158
"750303"	909.297358	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+K"	38.963158
"1549074"	329.074558	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+K"	38.963158
"304065"	310.096617	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+H+K"	39.970434
"700864"	455.152317	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+H+K"	39.970434
"1456870"	165.040917	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H+K"	39.970434
"248753"	622.256626	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+ACN+H"	42.033826
"1215991"	332.145226	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+ACN+H"	42.033826
"1196959"	166.576251	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+ACN+2H"	43.041102
"196028"	625.19396	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+2Na-H"	44.97116
"633401"	915.30536	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+2Na-H"	44.97116
"1140186"	335.08256	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2Na-H"	44.97116
"181290"	313.100618	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+2Na"	45.978436
"622672"	458.156318	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+2Na"	45.978436
"1116947"	168.044918	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2Na"	45.978436
"1410074"	112.365704	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H+2Na"	46.985712
"1442923"	337.124146	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H+HCOOH"	47.012746
"235423"	318.13364	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+3H2O+2H"	56.04448
"1522747"	351.17619	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+IsoProp+H"	61.06479
"423406"	321.087588	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+Na+K"	61.952376
"781362"	466.143288	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+Na+K"	61.952376
"1676600"	176.031888	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Na+K"	61.952376
"262753"	644.238568	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+ACN+Na"	64.015768
"1238744"	354.127168	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+ACN+Na"	64.015768
"1721795"	354.150693	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+NH4+HCOOH"	64.039293
"1190431"	119.693018	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+3Na"	68.967654
"1660324"	359.106088	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Na+HCOOH"	68.994688
"163909"	657.14184	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+2K-H"	76.91904
"608934"	947.25324	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+2K-H"	76.91904
"1093448"	367.03044	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2K-H"	76.91904
"151358"	329.074558	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"2M+2K"	77.926316
"592012"	474.130258	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"3M+2K"	77.926316
"1073243"	184.018858	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2K"	77.926316
"1104266"	369.044992	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2K+H"	78.933592
"1338465"	369.132607	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+DMSO+H"	79.021207
"1011373"	373.171776	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2ACN+H"	83.060376
"1531689"	374.165408	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+IsoProp+Na+H"	84.054008
"998137"	187.089526	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+2ACN+2H"	84.067652
"1590453"	375.080028	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+K+HCOOH"	84.968628
"1421582"	405.111538	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+H+CF3COOH"	115.000138
"1160624"	207.602801	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+3ACN+2H"	125.094202
"1711878"	422.138085	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+NH4+CF3COOH"	132.026685
"1646918"	427.09348	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+Na+CF3COOH"	136.98208
"1580385"	443.06742	"C04421"	"N-Succinyl-LL-26-diaminoheptanedioate;N-Succinyl-LL-26-diaminopimelate;N-Succinyl-L-26-diaminoheptanedioate;N-Succinyl-L-26-diaminopimelate"	"C11H18N2O7"	"290.1114"	"M+K+CF3COOH"	152.95602
"809657"	665.101	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M"	0
"981006"	646.08261	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-H2O-H"	-19.01839
"63778"	442.393390666667	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M-3H"	-3.021828
"504432"	664.093724	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M-3H"	-3.021828
"880450"	220.693057333333	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-3H"	-3.021828
"316"	664.093724	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M-2H"	-2.014552
"440234"	996.644224	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M-2H"	-2.014552
"817316"	331.543224	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-2H"	-2.014552
"78726"	1329.194724	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M-H"	-1.007276
"518577"	1994.295724	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M-H"	-1.007276
"895756"	664.093724	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-H"	-1.007276
"47298"	1346.221271	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M-2H+NH4"	16.019271
"488491"	2011.322271	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M-2H+NH4"	16.019271
"865321"	681.120271	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-2H+NH4"	16.019271
"37357"	1351.176666	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M-2H+Na"	20.974666
"475823"	2016.277666	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M-2H+Na"	20.974666
"853625"	686.075666	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-2H+Na"	20.974666
"1623160"	686.075666	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Na-2H"	20.974666
"101877"	682.082063	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M-H+Cl"	33.962126
"539250"	1014.632563	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M-H+Cl"	33.962126
"927071"	349.531563	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-H+Cl"	33.962126
"267227"	1365.171402	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+Cl"	34.969402
"660205"	2030.272402	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+Cl"	34.969402
"1273057"	700.070402	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Cl"	34.969402
"16020"	1367.150606	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M-2H+K"	36.948606
"456065"	2032.251606	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M-2H+K"	36.948606
"833062"	702.049606	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-2H+K"	36.948606
"1556024"	702.049606	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+K-2H"	36.948606
"943417"	710.099194	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-H+HCOOH"	44.998194
"362361"	1375.200201	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+HCOOH-H"	44.998201
"349538"	1389.215851	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+Hac-H"	59.013851
"1492768"	724.114851	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Hac-H"	59.013851
"961173"	732.081151	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-H+NaCOOH"	66.980151
"119931"	700.070402	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+2Cl"	69.938804
"554394"	1032.620902	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+2Cl"	69.938804
"1030845"	367.519902	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2Cl"	69.938804
"1250422"	744.019885	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Br"	78.918885
"1313963"	746.075872	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Cl+HCOOH"	80.974872
"1328182"	768.057829	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Cl+NaCOOH"	102.956829
"918144"	778.086586	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M-H+CF3COOH"	112.985586
"1292665"	814.063264	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Cl+CF3COOH"	148.962264
"1369003"	630.088324	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H-2H2O"	-35.012676
"1383342"	648.0983	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H-H2O"	-17.0027
"290199"	1331.209276	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+H"	1.007276
"684813"	1996.310276	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+H"	1.007276
"1362256"	666.108276	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H"	1.007276
"137329"	666.108276	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+2H"	2.014552
"576891"	998.658776	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+2H"	2.014552
"1048970"	333.557776	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2H"	2.014552
"213592"	444.407942666667	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+3H"	3.021828
"653154"	666.108276	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+3H"	3.021828
"1176384"	222.707609333333	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+3H"	3.021828
"434548"	1348.235823	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+NH4"	18.033823
"792630"	2013.336823	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+NH4"	18.033823
"1685681"	683.134823	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+NH4"	18.033823
"332499"	674.6215495	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+H+NH4"	19.041099
"727474"	1007.1720495	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+H+NH4"	19.041099
"1479106"	342.0710495	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H+NH4"	19.041099
"395600"	1353.191218	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+Na"	22.989218
"754472"	2018.292218	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+Na"	22.989218
"1605787"	688.090218	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Na"	22.989218
"317282"	677.099247	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+H+Na"	23.996494
"710069"	1009.649747	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+H+Na"	23.996494
"1461575"	344.548747	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H+Na"	23.996494
"1053604"	230.034923333333	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2H+Na"	25.00377
"1261361"	698.134486	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+CH3OH+H"	33.033486
"380667"	1369.165158	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+K"	38.963158
"740933"	2034.266158	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+K"	38.963158
"1543716"	704.064158	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+K"	38.963158
"304175"	685.086217	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+H+K"	39.970434
"696599"	1017.636717	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+H+K"	39.970434
"1451512"	352.535717	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H+K"	39.970434
"240114"	1372.235826	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+ACN+H"	42.033826
"1212819"	707.134826	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+ACN+H"	42.033826
"1198890"	354.071051	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+ACN+2H"	43.041102
"189941"	1375.17316	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+2Na-H"	44.97116
"628770"	2040.27416	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+2Na-H"	44.97116
"1135921"	710.07216	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2Na-H"	44.97116
"177024"	688.090218	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+2Na"	45.978436
"613307"	1020.640718	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+2Na"	45.978436
"1115874"	355.539718	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2Na"	45.978436
"1410916"	237.362237333333	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H+2Na"	46.985712
"1442669"	712.113746	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H+HCOOH"	47.012746
"233820"	693.12324	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+3H2O+2H"	56.04448
"1517872"	726.16579	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+IsoProp+H"	61.06479
"415373"	696.077188	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+Na+K"	61.952376
"781471"	1028.627688	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+Na+K"	61.952376
"1670509"	363.526688	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Na+K"	61.952376
"263227"	1394.217768	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+ACN+Na"	64.015768
"1236665"	729.116768	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+ACN+Na"	64.015768
"1719718"	729.140293	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+NH4+HCOOH"	64.039293
"1190905"	244.689551333333	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+3Na"	68.967654
"1658247"	734.095688	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Na+HCOOH"	68.994688
"166206"	1407.12104	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+2K-H"	76.91904
"604671"	2072.22204	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+2K-H"	76.91904
"1093556"	742.02004	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2K-H"	76.91904
"148187"	704.064158	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"2M+2K"	77.926316
"592123"	1036.614658	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"3M+2K"	77.926316
"1076634"	371.513658	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2K"	77.926316
"1101462"	744.034592	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2K+H"	78.933592
"1339671"	744.122207	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+DMSO+H"	79.021207
"1007470"	748.161376	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2ACN+H"	83.060376
"1528520"	749.155008	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+IsoProp+Na+H"	84.054008
"992781"	374.584326	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+2ACN+2H"	84.067652
"1593846"	750.069628	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+K+HCOOH"	84.968628
"1428261"	780.101138	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+H+CF3COOH"	115.000138
"1158547"	395.097601	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+3ACN+2H"	125.094202
"1709192"	797.127685	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+NH4+CF3COOH"	132.026685
"1641562"	802.08308	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+Na+CF3COOH"	136.98208
"1571745"	818.05702	"C04423"	"Nicotinamide hypoxanthine dinucleotide"	"C21H27N6O15P2"	"665.101"	"M+K+CF3COOH"	152.95602
"806491"	277.117	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M"	0
"983303"	258.09861	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-H2O-H"	-19.01839
"72638"	183.737390666667	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M-3H"	-3.021828
"508917"	276.109724	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M-3H"	-3.021828
"888905"	91.3650573333333	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-3H"	-3.021828
"5292"	276.109724	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M-2H"	-2.014552
"440718"	414.668224	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M-2H"	-2.014552
"817794"	137.551224	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-2H"	-2.014552
"79597"	553.226724	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M-H"	-1.007276
"518799"	830.343724	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M-H"	-1.007276
"896717"	276.109724	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-H"	-1.007276
"50012"	570.253271	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M-2H+NH4"	16.019271
"489573"	847.370271	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M-2H+NH4"	16.019271
"871750"	293.136271	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-2H+NH4"	16.019271
"36371"	575.208666	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M-2H+Na"	20.974666
"481401"	852.325666	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M-2H+Na"	20.974666
"850456"	298.091666	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-2H+Na"	20.974666
"1622177"	298.091666	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Na-2H"	20.974666
"101988"	294.098063	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M-H+Cl"	33.962126
"536079"	432.656563	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M-H+Cl"	33.962126
"929958"	155.539563	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-H+Cl"	33.962126
"267302"	589.203402	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+Cl"	34.969402
"659959"	866.320402	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+Cl"	34.969402
"1273696"	312.086402	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Cl"	34.969402
"16253"	591.182606	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M-2H+K"	36.948606
"456421"	868.299606	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M-2H+K"	36.948606
"834103"	314.065606	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-2H+K"	36.948606
"1555930"	314.065606	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+K-2H"	36.948606
"942879"	322.115194	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-H+HCOOH"	44.998194
"366858"	599.232201	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+HCOOH-H"	44.998201
"347095"	613.247851	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+Hac-H"	59.013851
"1496656"	336.130851	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Hac-H"	59.013851
"969677"	344.097151	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-H+NaCOOH"	66.980151
"117130"	312.086402	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+2Cl"	69.938804
"553409"	450.644902	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+2Cl"	69.938804
"1034236"	173.527902	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2Cl"	69.938804
"1252721"	356.035885	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Br"	78.918885
"1316629"	358.091872	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Cl+HCOOH"	80.974872
"1331208"	380.073829	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Cl+NaCOOH"	102.956829
"921536"	390.102586	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M-H+CF3COOH"	112.985586
"1293869"	426.079264	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Cl+CF3COOH"	148.962264
"1372030"	242.104324	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H-2H2O"	-35.012676
"1385156"	260.1143	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H-H2O"	-17.0027
"297604"	555.241276	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+H"	1.007276
"686017"	832.358276	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+H"	1.007276
"1361272"	278.124276	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H"	1.007276
"138534"	278.124276	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+2H"	2.014552
"577001"	416.682776	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+2H"	2.014552
"1049081"	139.565776	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2H"	2.014552
"216616"	185.751942666667	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+3H"	3.021828
"654355"	278.124276	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+3H"	3.021828
"1176734"	93.3796093333333	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+3H"	3.021828
"431377"	572.267823	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+NH4"	18.033823
"788362"	849.384823	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+NH4"	18.033823
"1684694"	295.150823	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+NH4"	18.033823
"331150"	286.6375495	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+H+NH4"	19.041099
"724178"	425.1960495	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+H+NH4"	19.041099
"1479213"	148.0790495	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H+NH4"	19.041099
"393277"	577.223218	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+Na"	22.989218
"755001"	854.340218	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+Na"	22.989218
"1605895"	300.106218	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Na"	22.989218
"317025"	289.115247	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+H+Na"	23.996494
"710177"	427.673747	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+H+Na"	23.996494
"1462658"	150.556747	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H+Na"	23.996494
"1053836"	100.706923333333	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2H+Na"	25.00377
"1261471"	310.150486	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+CH3OH+H"	33.033486
"381141"	593.197158	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+K"	38.963158
"741044"	870.314158	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+K"	38.963158
"1543097"	316.080158	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+K"	38.963158
"307565"	297.102217	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+H+K"	39.970434
"698895"	435.660717	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+H+K"	39.970434
"1450526"	158.543717	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H+K"	39.970434
"241315"	596.267826	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+ACN+H"	42.033826
"1213295"	319.150826	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+ACN+H"	42.033826
"1195356"	160.079051	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+ACN+2H"	43.041102
"191871"	599.20516	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+2Na-H"	44.97116
"629733"	876.32216	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+2Na-H"	44.97116
"1137127"	322.08816	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2Na-H"	44.97116
"174950"	300.106218	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+2Na"	45.978436
"613660"	438.664718	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+2Na"	45.978436
"1130669"	161.547718	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2Na"	45.978436
"1408111"	108.034237333333	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H+2Na"	46.985712
"1444484"	324.129746	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H+HCOOH"	47.012746
"233690"	305.13924	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+3H2O+2H"	56.04448
"1517986"	338.18179	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+IsoProp+H"	61.06479
"421680"	308.093188	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+Na+K"	61.952376
"783406"	446.651688	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+Na+K"	61.952376
"1678642"	169.534688	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Na+K"	61.952376
"258236"	618.249768	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+ACN+Na"	64.015768
"1238964"	341.132768	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+ACN+Na"	64.015768
"1719828"	341.156293	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+NH4+HCOOH"	64.039293
"1191743"	115.361551333333	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+3Na"	68.967654
"1661637"	346.111688	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Na+HCOOH"	68.994688
"170929"	631.15304	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+2K-H"	76.91904
"604778"	908.27004	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+2K-H"	76.91904
"1098039"	354.03604	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2K-H"	76.91904
"148297"	316.080158	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"2M+2K"	77.926316
"585670"	454.638658	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"3M+2K"	77.926316
"1072373"	177.521658	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2K"	77.926316
"1104489"	356.050592	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2K+H"	78.933592
"1337595"	356.138207	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+DMSO+H"	79.021207
"1011597"	360.177376	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2ACN+H"	83.060376
"1526442"	361.171008	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+IsoProp+Na+H"	84.054008
"1001640"	180.592326	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+2ACN+2H"	84.067652
"1595055"	362.085628	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+K+HCOOH"	84.968628
"1425085"	392.117138	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+H+CF3COOH"	115.000138
"1154281"	201.105601	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+3ACN+2H"	125.094202
"1706021"	409.143685	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+NH4+CF3COOH"	132.026685
"1640579"	414.09908	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+Na+CF3COOH"	136.98208
"1580605"	430.07302	"C04424"	"S-(2-Methylpropanoyl)-dihydrolipoamide;S-(2-Methylpropionyl)-dihydrolipoamide"	"C12H23NO2S2"	"277.117"	"M+K+CF3COOH"	152.95602
"802222"	398.1134	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M"	0
"976123"	379.09501	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-H2O-H"	-19.01839
"73841"	264.401657333333	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M-3H"	-3.021828
"505747"	397.106124	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M-3H"	-3.021828
"885734"	131.697190666667	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-3H"	-3.021828
"2122"	397.106124	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M-2H"	-2.014552
"440100"	596.162824	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M-2H"	-2.014552
"817903"	198.049424	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-2H"	-2.014552
"79592"	795.219524	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M-H"	-1.007276
"518785"	1193.332924	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M-H"	-1.007276
"897559"	397.106124	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-H"	-1.007276
"48661"	812.246071	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M-2H+NH4"	16.019271
"488953"	1210.359471	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M-2H+NH4"	16.019271
"868579"	414.132671	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-2H+NH4"	16.019271
"36481"	817.201466	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M-2H+Na"	20.974666
"481511"	1215.314866	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M-2H+Na"	20.974666
"852752"	419.088066	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-2H+Na"	20.974666
"1622287"	419.088066	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Na-2H"	20.974666
"104284"	415.094463	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M-H+Cl"	33.962126
"536553"	614.151163	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M-H+Cl"	33.962126
"930068"	216.037763	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-H+Cl"	33.962126
"267524"	831.196202	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+Cl"	34.969402
"661154"	1229.309602	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+Cl"	34.969402
"1274417"	433.082802	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Cl"	34.969402
"16201"	833.175406	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M-2H+K"	36.948606
"457506"	1231.288806	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M-2H+K"	36.948606
"833726"	435.062006	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-2H+K"	36.948606
"1556729"	435.062006	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+K-2H"	36.948606
"944734"	443.111594	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-H+HCOOH"	44.998194
"366968"	841.225001	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+HCOOH-H"	44.998201
"346961"	855.240651	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+Hac-H"	59.013851
"1493846"	457.127251	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Hac-H"	59.013851
"961762"	465.093551	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-H+NaCOOH"	66.980151
"123800"	433.082802	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+2Cl"	69.938804
"555707"	632.139502	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+2Cl"	69.938804
"1031066"	234.026102	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2Cl"	69.938804
"1252831"	477.032285	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Br"	78.918885
"1317467"	479.088272	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Cl+HCOOH"	80.974872
"1330589"	501.070229	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Cl+NaCOOH"	102.956829
"918366"	511.098986	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M-H+CF3COOH"	112.985586
"1293979"	547.075664	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Cl+CF3COOH"	148.962264
"1375420"	363.100724	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H-2H2O"	-35.012676
"1385266"	381.1107	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H-H2O"	-17.0027
"293704"	797.234076	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+H"	1.007276
"682846"	1195.347476	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+H"	1.007276
"1359196"	399.120676	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H"	1.007276
"137551"	399.120676	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+2H"	2.014552
"576017"	598.177376	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+2H"	2.014552
"1045909"	200.063976	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2H"	2.014552
"214907"	266.416209333333	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+3H"	3.021828
"651184"	399.120676	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+3H"	3.021828
"1171496"	133.711742666667	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+3H"	3.021828
"430394"	814.260623	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+NH4"	18.033823
"788109"	1212.374023	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+NH4"	18.033823
"1684805"	416.147223	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+NH4"	18.033823
"331017"	407.6339495	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+H+NH4"	19.041099
"725869"	606.6906495	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+H+NH4"	19.041099
"1479323"	208.5772495	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H+NH4"	19.041099
"395819"	819.216018	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+Na"	22.989218
"755354"	1217.329418	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+Na"	22.989218
"1605641"	421.102618	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Na"	22.989218
"317866"	410.111647	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+H+Na"	23.996494
"709195"	609.168347	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+H+Na"	23.996494
"1463014"	211.054947	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H+Na"	23.996494
"1055165"	141.039056666667	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2H+Na"	25.00377
"1258301"	431.146886	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+CH3OH+H"	33.033486
"379795"	835.189958	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+K"	38.963158
"742978"	1233.303358	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+K"	38.963158
"1545032"	437.076558	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+K"	38.963158
"310956"	418.098617	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+H+K"	39.970434
"701193"	617.155317	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+H+K"	39.970434
"1456107"	219.041917	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H+K"	39.970434
"242519"	838.260626	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+ACN+H"	42.033826
"1218510"	440.147226	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+ACN+H"	42.033826
"1198383"	220.577251	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+ACN+2H"	43.041102
"193075"	841.19796	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+2Na-H"	44.97116
"632637"	1239.31136	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+2Na-H"	44.97116
"1137235"	443.08456	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2Na-H"	44.97116
"175059"	421.102618	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+2Na"	45.978436
"614133"	620.159318	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+2Na"	45.978436
"1130540"	222.045918	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2Na"	45.978436
"1408586"	148.366370666667	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H+2Na"	46.985712
"1444839"	445.126146	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H+HCOOH"	47.012746
"233313"	426.13564	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+3H2O+2H"	56.04448
"1518094"	459.17819	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+IsoProp+H"	61.06479
"412311"	429.089588	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+Na+K"	61.952376
"775494"	628.146288	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+Na+K"	61.952376
"1672917"	230.032888	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Na+K"	61.952376
"262354"	860.242568	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+ACN+Na"	64.015768
"1236520"	462.129168	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+ACN+Na"	64.015768
"1719938"	462.152693	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+NH4+HCOOH"	64.039293
"1188573"	155.693684666667	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+3Na"	68.967654
"1661749"	467.108088	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Na+HCOOH"	68.994688
"169703"	873.14584	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+2K-H"	76.91904
"607075"	1271.25924	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+2K-H"	76.91904
"1087215"	475.03244	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2K-H"	76.91904
"147312"	437.076558	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"2M+2K"	77.926316
"585780"	636.133258	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"3M+2K"	77.926316
"1073576"	238.019858	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2K"	77.926316
"1106787"	477.046992	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2K+H"	78.933592
"1340985"	477.134607	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+DMSO+H"	79.021207
"1005657"	481.173776	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2ACN+H"	83.060376
"1526552"	482.167408	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+IsoProp+Na+H"	84.054008
"1000657"	241.090526	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+2ACN+2H"	84.067652
"1596258"	483.082028	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+K+HCOOH"	84.968628
"1421915"	513.113538	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+H+CF3COOH"	115.000138
"1155484"	261.603801	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+3ACN+2H"	125.094202
"1706131"	530.140085	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+NH4+CF3COOH"	132.026685
"1640689"	535.09548	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+Na+CF3COOH"	136.98208
"1580715"	551.06942	"C04425"	"S-Adenosyl-4-methylthio-2-oxobutanoate"	"C15H20N5O6S"	"398.1134"	"M+K+CF3COOH"	152.95602
"802332"	687.0384	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M"	0
"978058"	668.02001	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-H2O-H"	-19.01839
"73952"	457.018324	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M-3H"	-3.021828
"514605"	686.031124	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M-3H"	-3.021828
"885845"	228.005524	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-3H"	-3.021828
"1140"	686.031124	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M-2H"	-2.014552
"441792"	1029.550324	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M-2H"	-2.014552
"818135"	342.511924	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-2H"	-2.014552
"79583"	1373.069524	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M-H"	-1.007276
"519262"	2060.107924	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M-H"	-1.007276
"898035"	686.031124	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-H"	-1.007276
"48408"	1390.096071	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M-2H+NH4"	16.019271
"488700"	2077.134471	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M-2H+NH4"	16.019271
"865772"	703.057671	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-2H+NH4"	16.019271
"34525"	1395.051466	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M-2H+Na"	20.974666
"480527"	2082.089866	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M-2H+Na"	20.974666
"852863"	708.013066	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-2H+Na"	20.974666
"1625677"	708.013066	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Na-2H"	20.974666
"102206"	704.019463	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M-H+Cl"	33.962126
"537392"	1047.538663	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M-H+Cl"	33.962126
"929814"	360.500263	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-H+Cl"	33.962126
"268362"	1409.046202	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+Cl"	34.969402
"660661"	2096.084602	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+Cl"	34.969402
"1273794"	722.007802	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Cl"	34.969402
"17203"	1411.025406	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M-2H+K"	36.948606
"459684"	2098.063806	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M-2H+K"	36.948606
"834932"	723.987006	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-2H+K"	36.948606
"1557328"	723.987006	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+K-2H"	36.948606
"947031"	732.036594	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-H+HCOOH"	44.998194
"364524"	1419.075001	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+HCOOH-H"	44.998201
"347310"	1433.090651	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+Hac-H"	59.013851
"1494321"	746.052251	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Hac-H"	59.013851
"961873"	754.018551	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-H+NaCOOH"	66.980151
"123546"	722.007802	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+2Cl"	69.938804
"558004"	1065.527002	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+2Cl"	69.938804
"1033363"	378.488602	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2Cl"	69.938804
"1252941"	765.957285	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Br"	78.918885
"1319039"	768.013272	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Cl+HCOOH"	80.974872
"1332886"	789.995229	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Cl+NaCOOH"	102.956829
"922850"	800.023986	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M-H+CF3COOH"	112.985586
"1295184"	836.000664	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Cl+CF3COOH"	148.962264
"1373344"	652.025724	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H-2H2O"	-35.012676
"1388656"	670.0357	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H-H2O"	-17.0027
"293814"	1375.084076	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+H"	1.007276
"682956"	2062.122476	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+H"	1.007276
"1358213"	688.045676	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H"	1.007276
"137661"	688.045676	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+2H"	2.014552
"573941"	1031.564876	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+2H"	2.014552
"1048207"	344.526476	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2H"	2.014552
"216111"	459.032876	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+3H"	3.021828
"648015"	688.045676	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+3H"	3.021828
"1171607"	230.020076	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+3H"	3.021828
"430505"	1392.110623	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+NH4"	18.033823
"788584"	2079.149023	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+NH4"	18.033823
"1683093"	705.072223	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+NH4"	18.033823
"330762"	696.5589495	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+H+NH4"	19.041099
"725615"	1040.0781495	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+H+NH4"	19.041099
"1478216"	353.0397495	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H+NH4"	19.041099
"395566"	1397.066018	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+Na"	22.989218
"756557"	2084.104418	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+Na"	22.989218
"1605021"	710.027618	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Na"	22.989218
"317976"	699.036647	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+H+Na"	23.996494
"709305"	1042.555847	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+H+Na"	23.996494
"1463124"	355.517447	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H+Na"	23.996494
"1054181"	237.34739	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2H+Na"	25.00377
"1257682"	720.071886	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+CH3OH+H"	33.033486
"377839"	1413.039958	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+K"	38.963158
"741995"	2100.078358	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+K"	38.963158
"1545142"	726.001558	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+K"	38.963158
"307786"	707.023617	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+H+K"	39.970434
"701303"	1050.542817	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+H+K"	39.970434
"1456217"	363.504417	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H+K"	39.970434
"243722"	1416.110626	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+ACN+H"	42.033826
"1216435"	729.072226	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+ACN+H"	42.033826
"1199224"	365.039751	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+ACN+2H"	43.041102
"198652"	1419.04796	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+2Na-H"	44.97116
"636026"	2106.08636	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+2Na-H"	44.97116
"1141718"	732.00956	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2Na-H"	44.97116
"177355"	710.027618	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+2Na"	45.978436
"616918"	1053.546818	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+2Na"	45.978436
"1130406"	366.508418	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2Na"	45.978436
"1407237"	244.674704	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H+2Na"	46.985712
"1444582"	734.051146	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H+HCOOH"	47.012746
"231235"	715.06064	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+3H2O+2H"	56.04448
"1514924"	748.10319	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+IsoProp+H"	61.06479
"414608"	718.014588	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+Na+K"	61.952376
"775604"	1061.533788	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+Na+K"	61.952376
"1673027"	374.495388	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Na+K"	61.952376
"259548"	1438.092568	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+ACN+Na"	64.015768
"1237723"	751.054168	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+ACN+Na"	64.015768
"1722235"	751.077693	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+NH4+HCOOH"	64.039293
"1188683"	252.002018	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+3Na"	68.967654
"1662953"	756.033088	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Na+HCOOH"	68.994688
"172368"	1450.99584	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+2K-H"	76.91904
"610953"	2138.03424	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+2K-H"	76.91904
"1089512"	763.95744	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2K-H"	76.91904
"149610"	726.001558	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"2M+2K"	77.926316
"586253"	1069.520758	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"3M+2K"	77.926316
"1073686"	382.482358	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2K"	77.926316
"1104709"	765.971992	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2K+H"	78.933592
"1337811"	766.059607	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+DMSO+H"	79.021207
"1006222"	770.098776	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2ACN+H"	83.060376
"1525568"	771.092408	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+IsoProp+Na+H"	84.054008
"996394"	385.553026	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+2ACN+2H"	84.067652
"1596369"	772.007028	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+K+HCOOH"	84.968628
"1423119"	802.038538	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+H+CF3COOH"	115.000138
"1154501"	406.066301	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+3ACN+2H"	125.094202
"1707335"	819.065085	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+NH4+CF3COOH"	132.026685
"1640799"	824.02048	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+Na+CF3COOH"	136.98208
"1580825"	839.99442	"C04426"	"UDP-N-acetyl-D-galactosamine 4-sulfate"	"C17H27N3O20P2S"	"687.0384"	"M+K+CF3COOH"	152.95602
"801994"	545.1956	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M"	0
"981447"	526.17721	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-H2O-H"	-19.01839
"70781"	362.456457333333	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M-3H"	-3.021828
"508154"	544.188324	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M-3H"	-3.021828
"885955"	180.724590666667	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-3H"	-3.021828
"2343"	544.188324	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M-2H"	-2.014552
"442995"	816.786124	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M-2H"	-2.014552
"820068"	271.590524	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-2H"	-2.014552
"85158"	1089.383924	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M-H"	-1.007276
"519618"	1634.579524	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M-H"	-1.007276
"897178"	544.188324	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-H"	-1.007276
"51437"	1106.410471	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M-2H+NH4"	16.019271
"492093"	1651.606071	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M-2H+NH4"	16.019271
"868801"	561.214871	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-2H+NH4"	16.019271
"38889"	1111.365866	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M-2H+Na"	20.974666
"480637"	1656.561466	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M-2H+Na"	20.974666
"852973"	566.170266	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-2H+Na"	20.974666
"1626882"	566.170266	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Na-2H"	20.974666
"99036"	562.176663	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M-H+Cl"	33.962126
"537502"	834.774463	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M-H+Cl"	33.962126
"932111"	289.578863	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-H+Cl"	33.962126
"269937"	1125.360602	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+Cl"	34.969402
"664545"	1670.556202	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+Cl"	34.969402
"1278770"	580.165002	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Cl"	34.969402
"18046"	1127.339806	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M-2H+K"	36.948606
"466355"	1672.535406	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M-2H+K"	36.948606
"836867"	582.144206	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-2H+K"	36.948606
"1559989"	582.144206	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+K-2H"	36.948606
"946412"	590.193794	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-H+HCOOH"	44.998194
"365002"	1135.389401	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+HCOOH-H"	44.998201
"348155"	1149.405051	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+Hac-H"	59.013851
"1495165"	604.209451	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Hac-H"	59.013851
"962347"	612.175751	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-H+NaCOOH"	66.980151
"123656"	580.165002	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+2Cl"	69.938804
"562852"	852.762802	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+2Cl"	69.938804
"1032382"	307.567202	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2Cl"	69.938804
"1255970"	624.114485	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Br"	78.918885
"1310035"	626.170472	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Cl+HCOOH"	80.974872
"1325343"	648.152429	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Cl+NaCOOH"	102.956829
"924056"	658.181186	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M-H+CF3COOH"	112.985586
"1300763"	694.157864	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Cl+CF3COOH"	148.962264
"1381112"	510.182924	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H-2H2O"	-35.012676
"1388767"	528.1929	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H-H2O"	-17.0027
"289550"	1091.398476	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+H"	1.007276
"683066"	1636.594076	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+H"	1.007276
"1359416"	546.202876	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H"	1.007276
"135584"	546.202876	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+2H"	2.014552
"570042"	818.800676	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+2H"	2.014552
"1042851"	273.605076	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2H"	2.014552
"212939"	364.471009333333	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+3H"	3.021828
"651406"	546.202876	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+3H"	3.021828
"1167344"	182.739142666667	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+3H"	3.021828
"425754"	1108.425023	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+NH4"	18.033823
"791976"	1653.620623	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+NH4"	18.033823
"1685390"	563.229423	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+NH4"	18.033823
"330751"	554.7161495	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+H+NH4"	19.041099
"724267"	827.3139495	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+H+NH4"	19.041099
"1478449"	282.1183495	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H+NH4"	19.041099
"398952"	1113.380418	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+Na"	22.989218
"759948"	1658.576018	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+Na"	22.989218
"1606952"	568.184818	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Na"	22.989218
"319178"	557.193847	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+H+Na"	23.996494
"710142"	829.791647	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+H+Na"	23.996494
"1467607"	284.596047	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H+Na"	23.996494
"1055387"	190.066456666667	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2H+Na"	25.00377
"1262533"	578.229086	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+CH3OH+H"	33.033486
"383295"	1129.354358	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+K"	38.963158
"740040"	1674.549958	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+K"	38.963158
"1540754"	584.158758	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+K"	38.963158
"304615"	565.180817	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+H+K"	39.970434
"700319"	837.778617	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+H+K"	39.970434
"1455232"	292.583017	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H+K"	39.970434
"242740"	1132.425026	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+ACN+H"	42.033826
"1218731"	587.229426	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+ACN+H"	42.033826
"1197150"	294.118351	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+ACN+2H"	43.041102
"193299"	1135.36236	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+2Na-H"	44.97116
"638324"	1680.55796	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+2Na-H"	44.97116
"1136363"	590.16676	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2Na-H"	44.97116
"174306"	568.184818	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+2Na"	45.978436
"619216"	840.782618	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+2Na"	45.978436
"1130754"	295.587018	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2Na"	45.978436
"1413998"	197.393770666667	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H+2Na"	46.985712
"1445348"	592.208346	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H+HCOOH"	47.012746
"234993"	573.21784	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+3H2O+2H"	56.04448
"1520139"	606.26039	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+IsoProp+H"	61.06479
"419094"	576.171788	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+Na+K"	61.952376
"780089"	848.769588	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+Na+K"	61.952376
"1673138"	303.573988	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Na+K"	61.952376
"264032"	1154.406968	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+ACN+Na"	64.015768
"1238566"	609.211368	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+ACN+Na"	64.015768
"1724534"	609.234893	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+NH4+HCOOH"	64.039293
"1192441"	204.721084666667	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+3Na"	68.967654
"1663065"	614.190288	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Na+HCOOH"	68.994688
"168832"	1167.31024	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+2K-H"	76.91904
"612688"	1712.50584	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+2K-H"	76.91904
"1093998"	622.11464	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2K-H"	76.91904
"151908"	584.158758	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"2M+2K"	77.926316
"592560"	856.756558	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"3M+2K"	77.926316
"1075983"	311.560958	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2K"	77.926316
"1107006"	624.129192	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2K+H"	78.933592
"1339018"	624.216807	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+DMSO+H"	79.021207
"1007060"	628.255976	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2ACN+H"	83.060376
"1524697"	629.249608	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+IsoProp+Na+H"	84.054008
"994315"	314.631626	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+2ACN+2H"	84.067652
"1595384"	630.164228	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+K+HCOOH"	84.968628
"1423228"	660.195738	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+H+CF3COOH"	115.000138
"1154611"	335.144901	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+3ACN+2H"	125.094202
"1701976"	677.222285	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+NH4+CF3COOH"	132.026685
"1640909"	682.17768	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+Na+CF3COOH"	136.98208
"1580935"	698.15162	"C04428"	"alpha-D-Galactosyl-N-acetyllactosamine"	"C20H35NO16"	"545.1956"	"M+K+CF3COOH"	152.95602
"811302"	140.011	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M"	0
"985929"	120.99261	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H2O-H"	-19.01839
"73078"	92.3333906666667	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-3H"	-3.021828
"509358"	139.003724	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-3H"	-3.021828
"886067"	45.6630573333333	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-3H"	-3.021828
"10109"	139.003724	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H"	-2.014552
"446387"	209.009224	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H"	-2.014552
"817992"	68.998224	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H"	-2.014552
"84184"	279.014724	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-H"	-1.007276
"518795"	419.025724	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-H"	-1.007276
"896153"	139.003724	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H"	-1.007276
"53735"	296.041271	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H+NH4"	16.019271
"498036"	436.052271	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H+NH4"	16.019271
"873286"	156.030271	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H+NH4"	16.019271
"43376"	300.996666	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H+Na"	20.974666
"483666"	441.007666	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H+Na"	20.974666
"860009"	160.985666	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H+Na"	20.974666
"1629180"	160.985666	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na-2H"	20.974666
"105709"	156.992063	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-H+Cl"	33.962126
"543082"	226.997563	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-H+Cl"	33.962126
"934410"	86.986563	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+Cl"	33.962126
"270411"	314.991402	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Cl"	34.969402
"668669"	455.002402	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+Cl"	34.969402
"1275603"	174.980402	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl"	34.969402
"15801"	316.970606	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H+K"	36.948606
"460271"	456.981606	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H+K"	36.948606
"836612"	176.959606	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H+K"	36.948606
"1556456"	176.959606	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K-2H"	36.948606
"943608"	185.009194	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+HCOOH"	44.998194
"365110"	325.020201	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+HCOOH-H"	44.998201
"352276"	339.035851	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Hac-H"	59.013851
"1501112"	199.024851	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Hac-H"	59.013851
"970845"	206.991151	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+NaCOOH"	66.980151
"117567"	174.980402	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2Cl"	69.938804
"565194"	244.985902	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2Cl"	69.938804
"1034680"	104.974902	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2Cl"	69.938804
"1257031"	218.929885	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Br"	78.918885
"1319870"	220.985872	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl+HCOOH"	80.974872
"1334892"	242.967829	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl+NaCOOH"	102.956829
"925991"	252.996586	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+CF3COOH"	112.985586
"1301968"	288.973264	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl+CF3COOH"	148.962264
"1374662"	104.998324	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H-2H2O"	-35.012676
"1395438"	123.0083	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H-H2O"	-17.0027
"292938"	281.029276	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H"	1.007276
"685362"	421.040276	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H"	1.007276
"1363901"	141.018276	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H"	1.007276
"138976"	141.018276	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2H"	2.014552
"573069"	211.023776	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2H"	2.014552
"1046243"	71.012776	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2H"	2.014552
"218884"	94.3479426666667	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+3H"	3.021828
"657714"	141.018276	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+3H"	3.021828
"1172923"	47.6776093333333	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+3H"	3.021828
"437290"	298.055823	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+NH4"	18.033823
"797920"	438.066823	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+NH4"	18.033823
"1692428"	158.044823	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+NH4"	18.033823
"338520"	149.5315495	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H+NH4"	19.041099
"727658"	219.5370495	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H+NH4"	19.041099
"1483666"	79.5260495	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+NH4"	19.041099
"399065"	303.011218	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Na"	22.989218
"762248"	443.022218	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+Na"	22.989218
"1609251"	163.000218	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na"	22.989218
"320386"	152.009247	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H+Na"	23.996494
"714991"	222.014747	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H+Na"	23.996494
"1467717"	82.003747	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+Na"	23.996494
"1060963"	55.0049233333333	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2H+Na"	25.00377
"1263737"	173.044486	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+CH3OH+H"	33.033486
"383406"	318.985158	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+K"	38.963158
"748776"	458.996158	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+K"	38.963158
"1550829"	178.974158	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K"	38.963158
"309832"	159.996217	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H+K"	39.970434
"700430"	230.001717	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H+K"	39.970434
"1456439"	89.990717	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+K"	39.970434
"247224"	322.055826	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+ACN+H"	42.033826
"1225554"	182.044826	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+ACN+H"	42.033826
"1204549"	91.526051	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+ACN+2H"	43.041102
"198878"	324.99316	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2Na-H"	44.97116
"639896"	465.00416	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2Na-H"	44.97116
"1142308"	184.98216	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2Na-H"	44.97116
"185231"	163.000218	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2Na"	45.978436
"617136"	233.005718	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2Na"	45.978436
"1128307"	92.994718	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2Na"	45.978436
"1411104"	62.3322373333333	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+2Na"	46.985712
"1445538"	187.023746	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+HCOOH"	47.012746
"234376"	168.03324	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+3H2O+2H"	56.04448
"1523167"	201.07579	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+IsoProp+H"	61.06479
"419205"	170.987188	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Na+K"	61.952376
"774733"	240.992688	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+Na+K"	61.952376
"1679447"	100.981688	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na+K"	61.952376
"264145"	344.037768	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+ACN+Na"	64.015768
"1231387"	204.026768	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+ACN+Na"	64.015768
"1722459"	204.050293	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+NH4+HCOOH"	64.039293
"1187814"	69.6595513333333	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+3Na"	68.967654
"1662080"	209.005688	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na+HCOOH"	68.994688
"171130"	356.94104	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2K-H"	76.91904
"610687"	496.95204	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2K-H"	76.91904
"1097389"	216.93004	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2K-H"	76.91904
"153110"	178.974158	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2K"	77.926316
"595832"	248.979658	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2K"	77.926316
"1080464"	108.968658	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2K"	77.926316
"1107115"	218.944592	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2K+H"	78.933592
"1343501"	219.032207	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+DMSO+H"	79.021207
"1012032"	223.071376	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2ACN+H"	83.060376
"1525418"	224.065008	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+IsoProp+Na+H"	84.054008
"990650"	112.039326	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2ACN+2H"	84.067652
"1591116"	224.979628	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K+HCOOH"	84.968628
"1425531"	255.011138	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+CF3COOH"	115.000138
"1161286"	132.552601	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+3ACN+2H"	125.094202
"1707555"	272.037685	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+NH4+CF3COOH"	132.026685
"1639925"	276.99308	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na+CF3COOH"	136.98208
"1581047"	292.96702	"C04431"	"cis-4-Carboxymethylenebut-2-en-4-olide;4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K+CF3COOH"	152.95602
"808132"	170.1307	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M"	0
"981665"	151.11231	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"73188"	112.413190666667	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"508376"	169.123424	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"885084"	55.7029573333333	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"6939"	169.123424	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"440064"	254.188774	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"817982"	84.058074	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"82107"	339.254124	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"522761"	509.384824	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"895737"	169.123424	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"52752"	356.280671	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"491220"	526.411371	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"871209"	186.149971	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"38018"	361.236066	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"474297"	531.366766	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"853194"	191.105366	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1627103"	191.105366	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"102538"	187.111763	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"544286"	272.177113	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"937801"	102.046413	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"271252"	375.230802	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"667686"	545.361502	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1277537"	205.100102	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"16931"	377.210006	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"461113"	547.340706	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"835266"	207.079306	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1558753"	207.079306	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"943188"	215.128894	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"364855"	385.259601	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"353484"	399.275251	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1501222"	229.144551	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"970954"	237.110851	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"116584"	205.100102	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"561985"	290.165452	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1034791"	120.034752	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1255828"	249.049585	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1319004"	251.105572	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1334678"	273.087529	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"924277"	283.116286	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1301714"	319.092964	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1378052"	135.118024	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1395549"	153.128	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"293048"	341.268676	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"690214"	511.399376	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1361823"	171.137976	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"130340"	171.137976	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"569171"	256.203326	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1041980"	86.072626	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"216440"	114.427742666667	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"657094"	171.137976	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1173033"	57.7175093333333	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"428651"	358.295223	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"792927"	528.425923	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1691445"	188.164523	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"330973"	179.6512495	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"725580"	264.7165995	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1481590"	94.5858995	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"396989"	363.250618	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"760171"	533.381318	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1604989"	193.119918	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"317216"	182.128947	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"711823"	267.194297	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1464549"	97.063597	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1056701"	65.0448233333333	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1261661"	203.164186	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"382425"	379.224558	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"751076"	549.355258	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1549847"	209.093858	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"308119"	190.115917	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"698353"	275.181267	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1457641"	105.050567	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"245148"	382.295226	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1221503"	212.164526	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1203931"	106.585901	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"195707"	385.23256	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"636362"	555.36326	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1140598"	215.10186	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"182790"	193.119918	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"619433"	278.185268	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1128417"	108.054568	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1413769"	72.3721373333333	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1445516"	217.143446	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"235378"	198.15294	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1522184"	231.19549	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"420412"	201.106888	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"780311"	286.172238	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1677371"	116.041538	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"263161"	404.277168	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1229311"	234.146468	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1720383"	234.169993	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1189019"	79.6994513333333	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1665108"	239.125388	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"165774"	417.18044	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"608611"	587.31114	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1093124"	247.04974	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"154316"	209.093858	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"592782"	294.159208	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1082642"	124.028508	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1108318"	249.064292	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1339236"	249.151907	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1009957"	253.191076	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1525897"	254.184708	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"990397"	127.099176	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1591226"	255.099328	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1427827"	285.130838	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1161032"	147.612451	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1707665"	302.157385	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1648785"	307.11278	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1574593"	323.08672	"C04433"	"(E)-37-Dimethylocta-16-diene-38-diol;(6E)-8-Hydroxylinalool"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"808242"	202.0114	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M"	0
"975578"	182.99301	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-H2O-H"	-19.01839
"71111"	133.666990666667	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M-3H"	-3.021828
"506296"	201.004124	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M-3H"	-3.021828
"886286"	66.3298573333333	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-3H"	-3.021828
"7049"	201.004124	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M-2H"	-2.014552
"443325"	302.009824	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M-2H"	-2.014552
"817850"	99.998424	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-2H"	-2.014552
"82217"	403.015524	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M-H"	-1.007276
"521778"	605.026924	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M-H"	-1.007276
"896413"	201.004124	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-H"	-1.007276
"51769"	420.042071	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M-2H+NH4"	16.019271
"490237"	622.053471	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M-2H+NH4"	16.019271
"871319"	218.030671	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-2H+NH4"	16.019271
"42503"	424.997466	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M-2H+Na"	20.974666
"483886"	627.008866	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M-2H+Na"	20.974666
"856585"	222.986066	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-2H+Na"	20.974666
"1627213"	222.986066	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Na-2H"	20.974666
"105928"	218.992463	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M-H+Cl"	33.962126
"543303"	319.998163	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M-H+Cl"	33.962126
"937911"	117.986763	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-H+Cl"	33.962126
"271362"	438.992202	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+Cl"	34.969402
"668160"	641.003602	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+Cl"	34.969402
"1278739"	236.980802	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Cl"	34.969402
"22754"	440.971406	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M-2H+K"	36.948606
"462316"	642.982806	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M-2H+K"	36.948606
"839025"	238.960006	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-2H+K"	36.948606
"1562510"	238.960006	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+K-2H"	36.948606
"951486"	247.009594	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-H+HCOOH"	44.998194
"365692"	449.021001	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+HCOOH-H"	44.998201
"351404"	463.036651	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+Hac-H"	59.013851
"1499145"	261.025251	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Hac-H"	59.013851
"967783"	268.991551	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-H+NaCOOH"	66.980151
"114507"	236.980802	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+2Cl"	69.938804
"560637"	337.986502	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+2Cl"	69.938804
"1033809"	135.975102	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2Cl"	69.938804
"1254116"	280.930285	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Br"	78.918885
"1315836"	282.986272	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Cl+HCOOH"	80.974872
"1334788"	304.968229	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Cl+NaCOOH"	102.956829
"924387"	314.996986	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M-H+CF3COOH"	112.985586
"1302192"	350.973664	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Cl+CF3COOH"	148.962264
"1378162"	166.998724	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H-2H2O"	-35.012676
"1394567"	185.0087	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H-H2O"	-17.0027
"293158"	405.030076	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+H"	1.007276
"683399"	607.041476	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+H"	1.007276
"1360839"	203.018676	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H"	1.007276
"132635"	203.018676	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+2H"	2.014552
"573288"	304.024376	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+2H"	2.014552
"1049741"	102.012976	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2H"	2.014552
"217279"	135.681542666667	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+3H"	3.021828
"653924"	203.018676	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+3H"	3.021828
"1173143"	68.3444093333333	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+3H"	3.021828
"430949"	422.056623	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+NH4"	18.033823
"789755"	624.068023	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+NH4"	18.033823
"1687181"	220.045223	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+NH4"	18.033823
"331448"	211.5319495	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+H+NH4"	19.041099
"723869"	312.5376495	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+H+NH4"	19.041099
"1479876"	110.5262495	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H+NH4"	19.041099
"398194"	427.012018	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+Na"	22.989218
"760283"	629.023418	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+Na"	22.989218
"1606558"	225.000618	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Na"	22.989218
"317323"	214.009647	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+H+Na"	23.996494
"708652"	315.015347	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+H+Na"	23.996494
"1464659"	113.003947	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H+Na"	23.996494
"1055718"	75.6717233333333	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2H+Na"	25.00377
"1260678"	235.044886	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+CH3OH+H"	33.033486
"381442"	442.985958	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+K"	38.963158
"742438"	644.997358	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+K"	38.963158
"1545587"	240.974558	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+K"	38.963158
"308230"	221.996617	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+H+K"	39.970434
"699559"	323.002317	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+H+K"	39.970434
"1456659"	120.990917	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H+K"	39.970434
"248539"	446.056626	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+ACN+H"	42.033826
"1223803"	244.045226	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+ACN+H"	42.033826
"1202947"	122.526251	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+ACN+2H"	43.041102
"198005"	448.99396	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+2Na-H"	44.97116
"637565"	651.00536	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+2Na-H"	44.97116
"1142164"	246.98256	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2Na-H"	44.97116
"185087"	225.000618	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+2Na"	45.978436
"620637"	326.006318	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+2Na"	45.978436
"1128527"	123.994918	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2Na"	45.978436
"1413026"	82.9990373333333	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H+2Na"	46.985712
"1443809"	249.024146	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H+HCOOH"	47.012746
"233871"	230.03364	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+3H2O+2H"	56.04448
"1521929"	263.07619	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+IsoProp+H"	61.06479
"422710"	232.987588	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+Na+K"	61.952376
"784433"	333.993288	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+Na+K"	61.952376
"1672380"	131.981888	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Na+K"	61.952376
"254527"	468.038568	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+ACN+Na"	64.015768
"1238167"	266.027168	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+ACN+Na"	64.015768
"1724869"	266.050693	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+NH4+HCOOH"	64.039293
"1190223"	90.3263513333333	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+3Na"	68.967654
"1662303"	271.006088	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Na+HCOOH"	68.994688
"170263"	480.94184	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+2K-H"	76.91904
"609822"	682.95324	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+2K-H"	76.91904
"1098220"	278.93044	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2K-H"	76.91904
"153706"	240.974558	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"2M+2K"	77.926316
"595446"	341.980258	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"3M+2K"	77.926316
"1081422"	139.968858	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2K"	77.926316
"1113535"	280.944992	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2K+H"	78.933592
"1349188"	281.032607	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+DMSO+H"	79.021207
"1013345"	285.071776	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2ACN+H"	83.060376
"1528190"	286.065408	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+IsoProp+Na+H"	84.054008
"992453"	143.039526	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+2ACN+2H"	84.067652
"1588169"	286.980028	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+K+HCOOH"	84.968628
"1421370"	317.011538	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+H+CF3COOH"	115.000138
"1152752"	163.552801	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+3ACN+2H"	125.094202
"1699022"	334.038085	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+NH4+CF3COOH"	132.026685
"1648531"	338.99348	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+Na+CF3COOH"	136.98208
"1574703"	354.96742	"C04434"	"(1E)-4-Oxobut-1-ene-124-tricarboxylate;4-Oxalomesaconate;4-Oxalmesaconic acid"	"C7H6O7"	"202.0114"	"M+K+CF3COOH"	152.95602
"808352"	152.1201	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M"	0
"979700"	133.10171	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"64661"	100.406124	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"506409"	151.112824	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"881292"	49.699424	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"1692"	151.112824	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"440885"	227.172874	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"818324"	75.052774	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"83420"	303.232924	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"521888"	455.353024	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"898597"	151.112824	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"51880"	320.259471	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"498732"	472.379571	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"873617"	168.139371	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"35688"	325.214866	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"478895"	477.334966	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"853780"	173.094766	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1633403"	173.094766	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"108226"	169.101163	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"543413"	245.161213	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"932188"	93.041113	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"271107"	339.209602	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"668999"	491.329702	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1279215"	187.089502	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"22863"	341.188806	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"463517"	493.308906	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"843507"	189.068706	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1563713"	189.068706	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"953791"	197.118294	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"373829"	349.238401	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"360265"	363.254051	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1501446"	211.133951	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"966809"	219.100251	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"117906"	187.089502	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"558559"	263.149552	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1032824"	111.029452	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1251310"	231.038985	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1313753"	233.094972	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1330156"	255.076929	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"921216"	265.105686	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1300111"	301.082364	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1378277"	117.107424	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1388121"	135.1174	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"286714"	305.247476	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"677187"	457.367576	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1352564"	153.127376	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H"	1.007276
"127763"	153.127376	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"572304"	229.187426	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1047663"	77.067326	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"215566"	102.420676	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"649659"	153.127376	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1172158"	51.713976	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"428139"	322.274023	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"789499"	474.394123	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1684736"	170.153923	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"332285"	161.6406495	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"723974"	237.7006995	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1479619"	85.5805995	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"395749"	327.229418	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"756742"	479.349518	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1605571"	175.109318	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"317795"	164.118347	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"713132"	240.178397	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1465861"	88.058297	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1059106"	59.04129	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1261879"	185.153586	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"380457"	343.203358	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"740361"	495.323458	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1551891"	191.083258	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K"	38.963158
"302870"	172.105317	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"702946"	248.165367	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1454580"	96.045267	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"248650"	346.274026	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1222820"	194.153926	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1200871"	97.580601	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"194836"	349.21136	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"639863"	501.33146	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1138266"	197.09126	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"184105"	175.109318	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"626959"	251.169368	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1127546"	99.049268	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1411070"	66.368604	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1445138"	199.132846	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"235070"	180.14234	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1522039"	213.18489	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"422091"	183.096288	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"783449"	259.156338	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1675770"	107.036238	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"265082"	368.255968	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1239376"	216.135868	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1726807"	216.159393	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1192163"	73.695918	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1664119"	221.114788	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"171102"	381.15924	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"611627"	533.27934	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1097719"	229.03914	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"155509"	191.083258	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"593372"	267.143308	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1079705"	115.023208	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1108541"	231.053692	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1337396"	231.141307	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1007261"	235.180476	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1528302"	236.174108	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"990050"	118.093876	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1594727"	237.088728	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1420389"	267.120238	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1152864"	138.607151	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1706793"	284.146785	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1645727"	289.10218	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1581376"	305.07612	"C04435"	"(Z)-2-Methyl-5-isopropylhexa-25-dienal;cis-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"808462"	338.0515	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M"	0
"978717"	319.03311	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-H2O-H"	-19.01839
"65135"	224.360390666667	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M-3H"	-3.021828
"508705"	337.044224	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M-3H"	-3.021828
"881767"	111.676557333333	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-3H"	-3.021828
"3989"	337.044224	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M-2H"	-2.014552
"442820"	506.069974	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M-2H"	-2.014552
"819165"	168.018474	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-2H"	-2.014552
"81344"	675.095724	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M-H"	-1.007276
"523092"	1013.147224	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M-H"	-1.007276
"903082"	337.044224	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-H"	-1.007276
"55271"	692.122271	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M-2H+NH4"	16.019271
"497019"	1030.173771	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M-2H+NH4"	16.019271
"877737"	354.070771	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-2H+NH4"	16.019271
"38350"	697.077666	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M-2H+Na"	20.974666
"479005"	1035.129166	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M-2H+Na"	20.974666
"860087"	359.026166	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-2H+Na"	20.974666
"1627435"	359.026166	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Na-2H"	20.974666
"103961"	355.032563	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M-H+Cl"	33.962126
"543523"	524.058313	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M-H+Cl"	33.962126
"931570"	186.006813	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-H+Cl"	33.962126
"272311"	711.072402	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+Cl"	34.969402
"668016"	1049.123902	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+Cl"	34.969402
"1278233"	373.020902	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Cl"	34.969402
"24067"	713.051606	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M-2H+K"	36.948606
"463627"	1051.103106	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M-2H+K"	36.948606
"844709"	375.000106	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-2H+K"	36.948606
"1566012"	375.000106	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+K-2H"	36.948606
"957546"	383.049694	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-H+HCOOH"	44.998194
"373939"	721.101201	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+HCOOH-H"	44.998201
"358917"	735.116851	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+Hac-H"	59.013851
"1506297"	397.065351	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Hac-H"	59.013851
"972383"	405.031651	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-H+NaCOOH"	66.980151
"121290"	373.020902	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+2Cl"	69.938804
"558669"	542.046652	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+2Cl"	69.938804
"1032934"	203.995152	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2Cl"	69.938804
"1254703"	416.970385	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Br"	78.918885
"1318968"	419.026372	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Cl+HCOOH"	80.974872
"1333913"	441.008329	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Cl+NaCOOH"	102.956829
"926066"	451.037086	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M-H+CF3COOH"	112.985586
"1299129"	487.013764	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Cl+CF3COOH"	148.962264
"1379479"	303.038824	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H-2H2O"	-35.012676
"1388231"	321.0488	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H-H2O"	-17.0027
"287188"	677.110276	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+H"	1.007276
"677056"	1015.161776	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+H"	1.007276
"1354497"	339.058776	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H"	1.007276
"128480"	339.058776	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+2H"	2.014552
"572779"	508.084526	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+2H"	2.014552
"1048868"	170.033026	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2H"	2.014552
"213490"	226.374942666667	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+3H"	3.021828
"655966"	339.058776	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+3H"	3.021828
"1171176"	113.691109333333	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+3H"	3.021828
"428978"	694.136823	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+NH4"	18.033823
"790337"	1032.188323	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+NH4"	18.033823
"1687761"	356.085323	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+NH4"	18.033823
"334582"	347.5720495	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+H+NH4"	19.041099
"728463"	516.5977995	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+H+NH4"	19.041099
"1483737"	178.5462995	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H+NH4"	19.041099
"396220"	699.092218	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+Na"	22.989218
"757216"	1037.143718	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+Na"	22.989218
"1607867"	361.040718	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Na"	22.989218
"316449"	350.049747	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+H+Na"	23.996494
"711422"	519.075497	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+H+Na"	23.996494
"1468156"	181.023997	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H+Na"	23.996494
"1054847"	121.018423333333	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2H+Na"	25.00377
"1259075"	371.084986	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+CH3OH+H"	33.033486
"380570"	715.066158	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+K"	38.963158
"745940"	1053.117658	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+K"	38.963158
"1547994"	377.014658	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+K"	38.963158
"307355"	358.036717	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+H+K"	39.970434
"705609"	527.062467	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+H+K"	39.970434
"1455784"	189.010967	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H+K"	39.970434
"251202"	718.136826	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+ACN+H"	42.033826
"1222930"	380.085326	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+ACN+H"	42.033826
"1202074"	190.546301	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+ACN+2H"	43.041102
"197133"	721.07416	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+2Na-H"	44.97116
"639971"	1059.12566	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+2Na-H"	44.97116
"1139107"	383.02266	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2Na-H"	44.97116
"183849"	361.040718	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+2Na"	45.978436
"628160"	530.066468	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+2Na"	45.978436
"1124374"	192.014968	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2Na"	45.978436
"1404617"	128.345737333333	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H+2Na"	46.985712
"1444270"	385.064246	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H+HCOOH"	47.012746
"232991"	366.07374	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+3H2O+2H"	56.04448
"1523939"	399.11629	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+IsoProp+H"	61.06479
"423541"	369.027688	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+Na+K"	61.952376
"783924"	538.053438	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+Na+K"	61.952376
"1679890"	200.001938	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Na+K"	61.952376
"265925"	740.118768	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+ACN+Na"	64.015768
"1239848"	402.067268	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+ACN+Na"	64.015768
"1725823"	402.090793	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+NH4+HCOOH"	64.039293
"1192998"	135.673051333333	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+3Na"	68.967654
"1664348"	407.046188	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Na+HCOOH"	68.994688
"172587"	753.02204	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+2K-H"	76.91904
"611134"	1091.07354	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+2K-H"	76.91904
"1098201"	414.97054	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2K-H"	76.91904
"155378"	377.014658	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"2M+2K"	77.926316
"590927"	546.040408	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"3M+2K"	77.926316
"1080908"	207.988908	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2K"	77.926316
"1113997"	416.985092	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2K+H"	78.933592
"1348314"	417.072707	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+DMSO+H"	79.021207
"1010289"	421.111876	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2ACN+H"	83.060376
"1526347"	422.105508	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+IsoProp+Na+H"	84.054008
"991580"	211.059576	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+2ACN+2H"	84.067652
"1587910"	423.020128	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+K+HCOOH"	84.968628
"1421592"	453.051638	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+H+CF3COOH"	115.000138
"1154068"	231.572851	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+3ACN+2H"	125.094202
"1706903"	470.078185	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+NH4+CF3COOH"	132.026685
"1643650"	475.03358	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+Na+CF3COOH"	136.98208
"1581486"	491.00752	"C04437"	"1-(5-Phosphoribosyl)imidazole-4-acetate"	"C10H15N2O9P"	"338.0515"	"M+K+CF3COOH"	152.95602
"805293"	258.0141	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M"	0
"985387"	238.99571	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H2O-H"	-19.01839
"69255"	171.002124	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-3H"	-3.021828
"512096"	257.006824	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-3H"	-3.021828
"884430"	84.997424	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-3H"	-3.021828
"10660"	257.006824	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H"	-2.014552
"443661"	386.013874	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H"	-2.014552
"823650"	127.999774	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H"	-2.014552
"81456"	515.020924	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-H"	-1.007276
"528670"	773.035024	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-H"	-1.007276
"909389"	257.006824	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H"	-1.007276
"60729"	532.047471	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+NH4"	16.019271
"496036"	790.061571	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+NH4"	16.019271
"879867"	274.033371	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+NH4"	16.019271
"41741"	537.002866	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+Na"	20.974666
"487042"	795.016966	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+Na"	20.974666
"863117"	278.988766	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+Na"	20.974666
"1633014"	278.988766	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na-2H"	20.974666
"108446"	274.995163	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-H+Cl"	33.962126
"543633"	404.002213	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-H+Cl"	33.962126
"936054"	145.988113	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+Cl"	33.962126
"280808"	550.997602	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Cl"	34.969402
"670313"	809.011702	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Cl"	34.969402
"1282717"	292.983502	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl"	34.969402
"25272"	552.976806	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+K"	36.948606
"465925"	810.990906	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+K"	36.948606
"842632"	294.962706	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+K"	36.948606
"1568308"	294.962706	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K-2H"	36.948606
"948542"	303.012294	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+HCOOH"	44.998194
"371861"	561.026401	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+HCOOH-H"	44.998201
"355015"	575.042051	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Hac-H"	59.013851
"1501666"	317.027951	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Hac-H"	59.013851
"968114"	324.994251	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+NaCOOH"	66.980151
"122493"	292.983502	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Cl"	69.938804
"559872"	421.990552	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Cl"	69.938804
"1034140"	163.976452	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Cl"	69.938804
"1250438"	336.932985	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Br"	78.918885
"1319322"	338.988972	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+HCOOH"	80.974872
"1334025"	360.970929	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+NaCOOH"	102.956829
"920347"	370.999686	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+CF3COOH"	112.985586
"1298149"	406.976364	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+CF3COOH"	148.962264
"1377403"	223.001424	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H-2H2O"	-35.012676
"1389798"	241.0114	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H-H2O"	-17.0027
"287298"	517.035476	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H"	1.007276
"680447"	775.049576	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H"	1.007276
"1358984"	259.021376	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H"	1.007276
"126766"	259.021376	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2H"	2.014552
"567422"	388.028426	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2H"	2.014552
"1043877"	130.014326	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2H"	2.014552
"208499"	173.016676	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+3H"	3.021828
"651337"	259.021376	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+3H"	3.021828
"1169461"	87.011976	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3H"	3.021828
"434558"	534.062023	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+NH4"	18.033823
"793365"	792.076123	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+NH4"	18.033823
"1685321"	276.047923	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4"	18.033823
"334692"	267.5346495	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+NH4"	19.041099
"730394"	396.5416995	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+NH4"	19.041099
"1480203"	138.5275995	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+NH4"	19.041099
"395970"	539.017418	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Na"	22.989218
"757692"	797.031518	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Na"	22.989218
"1607248"	281.003318	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na"	22.989218
"318747"	270.012347	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+Na"	23.996494
"710076"	399.019397	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+Na"	23.996494
"1466088"	141.005297	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+Na"	23.996494
"1054959"	94.33929	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2H+Na"	25.00377
"1257608"	291.047586	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+CH3OH+H"	33.033486
"387240"	554.991358	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+K"	38.963158
"749331"	813.005458	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+K"	38.963158
"1555397"	296.977258	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K"	38.963158
"311843"	277.999317	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+K"	39.970434
"695514"	407.006367	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+K"	39.970434
"1458081"	148.992267	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+K"	39.970434
"247780"	558.062026	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+ACN+H"	42.033826
"1219395"	300.047926	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+H"	42.033826
"1204371"	150.527601	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+2H"	43.041102
"195057"	560.99936	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Na-H"	44.97116
"635711"	819.01346	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Na-H"	44.97116
"1139220"	302.98526	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Na-H"	44.97116
"181418"	281.003318	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Na"	45.978436
"627545"	410.010368	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Na"	45.978436
"1131092"	151.996268	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Na"	45.978436
"1412750"	101.666604	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+2Na"	46.985712
"1437937"	305.026846	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+HCOOH"	47.012746
"234804"	286.03634	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+3H2O+2H"	56.04448
"1522256"	319.07889	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+IsoProp+H"	61.06479
"424020"	288.990288	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Na+K"	61.952376
"785454"	417.997338	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Na+K"	61.952376
"1681170"	159.983238	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+K"	61.952376
"266775"	580.043968	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+ACN+Na"	64.015768
"1240206"	322.029868	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+Na"	64.015768
"1728245"	322.053393	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4+HCOOH"	64.039293
"1193678"	108.993918	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3Na"	68.967654
"1663000"	327.008788	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+HCOOH"	68.994688
"171690"	592.94724	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2K-H"	76.91904
"610513"	850.96134	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2K-H"	76.91904
"1097829"	334.93314	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K-H"	76.91904
"154760"	296.977258	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2K"	77.926316
"595047"	425.984308	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2K"	77.926316
"1082111"	167.970208	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K"	77.926316
"1111677"	336.947692	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K+H"	78.933592
"1339679"	337.035307	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+DMSO+H"	79.021207
"1008209"	341.074476	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2ACN+H"	83.060376
"1526334"	342.068108	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+IsoProp+Na+H"	84.054008
"993877"	171.040876	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2ACN+2H"	84.067652
"1588381"	342.982728	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K+HCOOH"	84.968628
"1416595"	373.014238	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+CF3COOH"	115.000138
"1148342"	191.554151	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3ACN+2H"	125.094202
"1700453"	390.040785	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4+CF3COOH"	132.026685
"1648137"	394.99618	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+CF3COOH"	136.98208
"1584880"	410.97012	"C04442"	"2-Dehydro-3-deoxy-6-phospho-D-gluconate;6-Phospho-2-dehydro-3-deoxy-D-gluconate;2-Keto-3-deoxy-6-phosphogluconate;2-Dehydro-3-deoxy-D-gluconate 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K+CF3COOH"	152.95602
"805403"	316.0583	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M"	0
"982216"	297.03991	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"68271"	209.698257333333	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"514392"	315.051024	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"886727"	104.345490666667	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"14050"	315.051024	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"448146"	473.080174	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"829227"	157.021874	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"87762"	631.109324	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"528781"	947.167624	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"909866"	315.051024	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"59870"	648.135871	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"501373"	964.194171	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"878933"	332.077571	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"38571"	653.091266	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"483600"	969.149566	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"860308"	337.032966	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1627654"	337.032966	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"98349"	333.039363	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"544834"	491.068513	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"940292"	175.010213	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"281767"	667.086002	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"674188"	983.144302	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1282822"	351.027702	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"29632"	669.065206	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"468220"	985.123506	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"838366"	353.006906	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1564041"	353.006906	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"946465"	361.056494	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"369055"	677.114801	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"355490"	691.130451	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1497399"	375.072151	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"963847"	383.038451	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"122969"	351.027702	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"559979"	509.056852	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1032060"	192.998552	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1251641"	394.977185	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1316273"	397.033172	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1331584"	419.015129	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"921550"	429.043886	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1299352"	465.020564	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1378605"	281.045624	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1390639"	299.0556	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"289231"	633.123876	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"675899"	949.182176	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1360188"	317.065576	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"129068"	317.065576	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"569721"	475.094726	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1044716"	159.036426	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"210433"	211.712809333333	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"652176"	317.065576	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1175282"	106.360042666667	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"435762"	650.150423	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"792382"	966.208723	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1687253"	334.092123	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"336990"	325.5788495	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"729775"	483.6079995	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1482135"	167.5496995	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"397903"	655.105818	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"758895"	971.164118	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1606632"	339.047518	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"318858"	328.056547	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"711281"	486.085697	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1466198"	170.027397	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1055068"	113.687356666667	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1260028"	349.091786	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"387350"	671.079758	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"751264"	987.138058	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1550403"	355.021458	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"309767"	336.043517	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"698904"	494.072667	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1460259"	178.014367	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"251296"	674.150426	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1224002"	358.092126	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1209710"	179.549701	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"200634"	677.08776	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"635819"	993.14606	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1141517"	361.02946	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"184808"	339.047518	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"628024"	497.076668	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1130801"	181.018368	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1412738"	121.014670666667	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1440234"	363.071046	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"235634"	344.08054	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1519086"	377.12309	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"423767"	347.034488	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"784876"	505.063638	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1681195"	189.005338	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"266924"	696.132368	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1240808"	380.074068	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1727994"	380.097593	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1193587"	128.341984666667	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1661654"	385.052988	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"172162"	709.03564	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"610264"	1025.09394	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1096965"	392.97734	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"154874"	355.021458	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"593336"	513.050608	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1082832"	196.992308	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1111790"	394.991892	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1343070"	395.079507	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1007224"	399.118676	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1526443"	400.112308	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"992894"	200.062976	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1589584"	401.026928	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1415613"	431.058438	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1148088"	220.576251	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1703844"	448.084985	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1643871"	453.04038	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1584990"	469.01432	"C04443"	"3-O-Methylquercetin;3457-Tetrahydroxy-3-methoxyflavone;3-Methoxy-5734-tetrahydroxyflavone"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"803325"	344.0896	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M"	0
"985607"	325.07121	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"71662"	228.385790666667	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"509035"	343.082324	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"887933"	113.689257333333	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"9788"	343.082324	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"448257"	515.127124	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"829341"	171.037524	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"90425"	687.171924	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"533272"	1031.261524	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"909739"	343.082324	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"59979"	704.198471	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"501483"	1048.288071	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"874059"	360.108871	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"41964"	709.153866	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"479336"	1053.243466	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"859326"	365.064266	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1629953"	365.064266	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"99918"	361.070663	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"541300"	533.115463	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"931899"	189.025863	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"273735"	723.148602	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"669436"	1067.238202	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1284026"	379.059002	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"22209"	725.127806	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"466145"	1069.217406	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"841759"	381.038206	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1561967"	381.038206	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"945482"	389.087794	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"369165"	733.177401	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"354144"	747.193051	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1502977"	403.103451	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"971615"	411.069751	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"116147"	379.059002	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"561181"	551.103802	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1031079"	207.014202	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1252841"	423.008485	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1315290"	425.064472	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1333152"	447.046429	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"921661"	457.075186	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1299462"	493.051864	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1377624"	309.076924	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1386372"	327.0869	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"292620"	689.186476	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"676657"	1033.276076	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1360298"	345.096876	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"132093"	345.096876	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"568007"	517.141676	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1040815"	173.052076	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"210176"	230.400342666667	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"653012"	345.096876	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1171505"	115.703809333333	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"434778"	706.213023	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"788479"	1050.302623	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1690279"	362.123423	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"334549"	353.6101495	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"726239"	525.6549495	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1478974"	181.5653495	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"395100"	711.168418	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"755123"	1055.258018	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1603589"	367.078818	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"317878"	356.087847	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"707666"	528.132647	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1463270"	184.043047	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1057370"	123.031123333333	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1266701"	377.123086	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"384181"	727.142358	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"749917"	1071.231958	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1549420"	383.052758	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"307685"	364.074817	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"699014"	536.119617	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1459032"	192.030017	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"245809"	730.213026	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1223258"	386.123426	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1204588"	193.565351	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"197461"	733.15036	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"639207"	1077.23996	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1140534"	389.06076	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"187479"	367.078818	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"627770"	539.123618	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1130545"	195.034018	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1412607"	130.358437333333	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1444732"	391.102346	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"234669"	372.11184	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1523095"	405.15439	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"423511"	375.065788	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"784866"	547.110588	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1680711"	203.020988	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"266378"	752.194968	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1237263"	408.105368	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1727252"	408.128893	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1192600"	137.685751333333	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1664439"	413.084288	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"171905"	765.09824	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"609282"	1109.18784	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1098168"	421.00864	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"154618"	383.052758	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"593445"	555.097558	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1081242"	211.007958	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1111534"	423.023192	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1339899"	423.110807	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1007335"	427.149976	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1526560"	428.143608	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"991549"	214.078626	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1590062"	429.058228	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1418641"	459.089738	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1150025"	234.591901	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1701767"	476.116285	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1638511"	481.07168	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1585100"	497.04562	"C04444"	"374-Tri-O-methylquercetin;35-Dihydroxy-347-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"803436"	145.0197	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M"	0
"982436"	126.00131	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-H2O-H"	-19.01839
"69585"	95.672524	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M-3H"	-3.021828
"509145"	144.012424	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M-3H"	-3.021828
"888043"	47.332624	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-3H"	-3.021828
"9898"	144.012424	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M-2H"	-2.014552
"448367"	216.522274	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M-2H"	-2.014552
"829451"	71.502574	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-2H"	-2.014552
"85067"	289.032124	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M-H"	-1.007276
"531189"	434.051824	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M-H"	-1.007276
"906805"	144.012424	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-H"	-1.007276
"58995"	306.058671	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M-2H+NH4"	16.019271
"498555"	451.078371	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M-2H+NH4"	16.019271
"874168"	161.038971	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-2H+NH4"	16.019271
"38794"	311.014066	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M-2H+Na"	20.974666
"476894"	456.033766	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M-2H+Na"	20.974666
"857249"	165.994366	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-2H+Na"	20.974666
"1628970"	165.994366	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Na-2H"	20.974666
"100757"	162.000763	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M-H+Cl"	33.962126
"541775"	234.510613	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M-H+Cl"	33.962126
"933102"	89.490913	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-H+Cl"	33.962126
"273846"	325.008802	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+Cl"	34.969402
"669546"	470.028502	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+Cl"	34.969402
"1285229"	179.989102	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Cl"	34.969402
"24506"	326.988006	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M-2H+K"	36.948606
"468440"	472.007706	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M-2H+K"	36.948606
"842962"	181.968306	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-2H+K"	36.948606
"1562077"	181.968306	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+K-2H"	36.948606
"947778"	190.017894	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-H+HCOOH"	44.998194
"370368"	335.037601	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+HCOOH-H"	44.998201
"356441"	349.053251	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+Hac-H"	59.013851
"1499807"	204.033551	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Hac-H"	59.013851
"969538"	211.999851	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-H+NaCOOH"	66.980151
"117349"	179.989102	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+2Cl"	69.938804
"561286"	252.498952	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+2Cl"	69.938804
"1031187"	107.479252	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2Cl"	69.938804
"1250766"	223.938585	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Br"	78.918885
"1314306"	225.994572	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Cl+HCOOH"	80.974872
"1332896"	247.976529	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Cl+NaCOOH"	102.956829
"921771"	258.005286	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M-H+CF3COOH"	112.985586
"1302487"	293.981964	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Cl+CF3COOH"	148.962264
"1374454"	110.007024	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H-2H2O"	-35.012676
"1386482"	128.017	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H-H2O"	-17.0027
"289449"	291.046676	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+H"	1.007276
"675915"	436.066376	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+H"	1.007276
"1354940"	146.026976	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H"	1.007276
"128192"	146.026976	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+2H"	2.014552
"567752"	218.536826	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+2H"	2.014552
"1040926"	73.517126	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2H"	2.014552
"210650"	97.687076	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+3H"	3.021828
"652395"	146.026976	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+3H"	3.021828
"1171615"	49.347176	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+3H"	3.021828
"433794"	308.073223	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+NH4"	18.033823
"787861"	453.092923	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+NH4"	18.033823
"1688204"	163.053523	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+NH4"	18.033823
"335753"	154.5402495	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+H+NH4"	19.041099
"726350"	227.0500995	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+H+NH4"	19.041099
"1480540"	82.0303995	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H+NH4"	19.041099
"394846"	313.028618	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+Na"	22.989218
"755842"	458.048318	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+Na"	22.989218
"1604063"	168.008918	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Na"	22.989218
"320175"	157.017947	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+H+Na"	23.996494
"708224"	229.527797	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+H+Na"	23.996494
"1464231"	84.508097	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H+Na"	23.996494
"1059666"	56.67449	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2H+Na"	25.00377
"1266811"	178.053186	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+CH3OH+H"	33.033486
"385384"	329.002558	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+K"	38.963158
"750027"	474.022258	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+K"	38.963158
"1550623"	183.982858	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+K"	38.963158
"307795"	165.004917	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+H+K"	39.970434
"702404"	237.514767	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+H+K"	39.970434
"1459142"	92.495067	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H+K"	39.970434
"250298"	332.073226	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+ACN+H"	42.033826
"1224709"	187.053526	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+ACN+H"	42.033826
"1204698"	94.030401	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+ACN+2H"	43.041102
"197569"	335.01056	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+2Na-H"	44.97116
"639317"	480.03026	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+2Na-H"	44.97116
"1138457"	189.99086	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2Na-H"	44.97116
"187343"	168.008918	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+2Na"	45.978436
"627637"	240.518768	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+2Na"	45.978436
"1130858"	95.499068	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2Na"	45.978436
"1412716"	64.001804	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H+2Na"	46.985712
"1444236"	192.032446	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H+HCOOH"	47.012746
"234541"	173.04194	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+3H2O+2H"	56.04448
"1523085"	206.08449	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+IsoProp+H"	61.06479
"423378"	175.995888	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+Na+K"	61.952376
"784613"	248.505738	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+Na+K"	61.952376
"1680578"	103.486038	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Na+K"	61.952376
"265395"	354.055168	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+ACN+Na"	64.015768
"1238467"	209.035468	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+ACN+Na"	64.015768
"1727359"	209.058993	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+NH4+HCOOH"	64.039293
"1192346"	71.329118	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+3Na"	68.967654
"1663334"	214.014388	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Na+HCOOH"	68.994688
"170926"	366.95844	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+2K-H"	76.91904
"609392"	511.97814	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+2K-H"	76.91904
"1097551"	221.93874	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2K-H"	76.91904
"155092"	183.982858	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"2M+2K"	77.926316
"592827"	256.492708	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"3M+2K"	77.926316
"1079893"	111.473008	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2K"	77.926316
"1111280"	223.953292	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2K+H"	78.933592
"1341103"	224.040907	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+DMSO+H"	79.021207
"1006473"	228.080076	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2ACN+H"	83.060376
"1526670"	229.073708	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+IsoProp+Na+H"	84.054008
"992024"	114.543676	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+2ACN+2H"	84.067652
"1590901"	229.988328	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+K+HCOOH"	84.968628
"1420938"	260.019838	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+H+CF3COOH"	115.000138
"1152321"	135.056951	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+3ACN+2H"	125.094202
"1702970"	277.046385	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+NH4+CF3COOH"	132.026685
"1637528"	282.00178	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+Na+CF3COOH"	136.98208
"1585210"	297.97572	"C04445"	"34-Dehydrothiomorpholine-3-carboxylate"	"C5H7NO2S"	"145.0197"	"M+K+CF3COOH"	152.95602
"802453"	199.0719	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M"	0
"982546"	180.05351	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-H2O-H"	-19.01839
"69695"	131.707324	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M-3H"	-3.021828
"509255"	198.064624	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M-3H"	-3.021828
"889246"	65.350024	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-3H"	-3.021828
"10008"	198.064624	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M-2H"	-2.014552
"448477"	297.600574	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M-2H"	-2.014552
"827375"	98.528674	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-2H"	-2.014552
"85177"	397.136524	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M-H"	-1.007276
"522551"	596.208424	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M-H"	-1.007276
"903634"	198.064624	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-H"	-1.007276
"59105"	414.163071	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M-2H+NH4"	16.019271
"499757"	613.234971	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M-2H+NH4"	16.019271
"870998"	215.091171	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-2H+NH4"	16.019271
"38903"	419.118466	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M-2H+Na"	20.974666
"477004"	618.190366	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M-2H+Na"	20.974666
"854443"	220.046566	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-2H+Na"	20.974666
"1622150"	220.046566	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Na-2H"	20.974666
"99046"	216.052963	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M-H+Cl"	33.962126
"539697"	315.588913	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M-H+Cl"	33.962126
"936492"	116.517013	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-H+Cl"	33.962126
"279422"	433.113202	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+Cl"	34.969402
"667468"	632.185102	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+Cl"	34.969402
"1282059"	234.041302	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Cl"	34.969402
"24616"	435.092406	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M-2H+K"	36.948606
"465270"	634.164306	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M-2H+K"	36.948606
"841978"	236.020506	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-2H+K"	36.948606
"1559270"	236.020506	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+K-2H"	36.948606
"947888"	244.070094	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-H+HCOOH"	44.998194
"368291"	443.142001	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+HCOOH-H"	44.998201
"356187"	457.157651	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+Hac-H"	59.013851
"1499917"	258.085751	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Hac-H"	59.013851
"968554"	266.052051	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-H+NaCOOH"	66.980151
"117459"	234.041302	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+2Cl"	69.938804
"558116"	333.577252	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+2Cl"	69.938804
"1025829"	134.505352	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2Cl"	69.938804
"1250874"	277.990785	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Br"	78.918885
"1308949"	280.046772	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Cl+HCOOH"	80.974872
"1327539"	302.028729	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Cl+NaCOOH"	102.956829
"922972"	312.057486	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M-H+CF3COOH"	112.985586
"1297493"	348.034164	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Cl+CF3COOH"	148.962264
"1371283"	164.059224	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H-2H2O"	-35.012676
"1384768"	182.0692	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H-H2O"	-17.0027
"286278"	399.151076	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+H"	1.007276
"677970"	598.222976	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+H"	1.007276
"1352861"	200.079176	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H"	1.007276
"127570"	200.079176	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+2H"	2.014552
"567132"	299.615126	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+2H"	2.014552
"1038118"	100.543226	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2H"	2.014552
"210394"	133.721876	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+3H"	3.021828
"648130"	200.079176	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+3H"	3.021828
"1164067"	67.364576	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+3H"	3.021828
"429527"	416.177623	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+NH4"	18.033823
"787242"	615.249523	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+NH4"	18.033823
"1683208"	217.105723	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+NH4"	18.033823
"332582"	208.5924495	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+H+NH4"	19.041099
"725002"	308.1283995	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+H+NH4"	19.041099
"1478463"	109.0564995	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H+NH4"	19.041099
"393862"	421.133018	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+Na"	22.989218
"754615"	620.204918	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+Na"	22.989218
"1602830"	222.061118	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Na"	22.989218
"315301"	211.070147	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+H+Na"	23.996494
"708455"	310.606097	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+H+Na"	23.996494
"1462638"	111.534197	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H+Na"	23.996494
"1055034"	74.69189	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2H+Na"	25.00377
"1260721"	232.105386	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+CH3OH+H"	33.033486
"380753"	437.106958	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+K"	38.963158
"741388"	636.178858	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+K"	38.963158
"1547453"	238.035058	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+K"	38.963158
"303535"	219.057117	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+H+K"	39.970434
"695953"	318.593067	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+H+K"	39.970434
"1451962"	119.521167	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H+K"	39.970434
"246030"	440.177626	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+ACN+H"	42.033826
"1221655"	241.105726	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+ACN+H"	42.033826
"1201529"	121.056501	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+ACN+2H"	43.041102
"194399"	443.11496	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+2Na-H"	44.97116
"637241"	642.18686	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+2Na-H"	44.97116
"1138567"	244.04306	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2Na-H"	44.97116
"187943"	222.061118	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+2Na"	45.978436
"628189"	321.597068	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+2Na"	45.978436
"1131008"	122.525168	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2Na"	45.978436
"1407355"	82.019204	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H+2Na"	46.985712
"1445193"	246.084646	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H+HCOOH"	47.012746
"235336"	227.09414	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+3H2O+2H"	56.04448
"1523762"	260.13669	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+IsoProp+H"	61.06479
"423488"	230.048088	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+Na+K"	61.952376
"784475"	329.584038	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+Na+K"	61.952376
"1680320"	130.512138	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Na+K"	61.952376
"265137"	462.159568	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+ACN+Na"	64.015768
"1238576"	263.087668	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+ACN+Na"	64.015768
"1727101"	263.111193	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+NH4+HCOOH"	64.039293
"1192820"	89.346518	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+3Na"	68.967654
"1663806"	268.066588	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Na+HCOOH"	68.994688
"171760"	475.06284	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+2K-H"	76.91904
"610959"	674.13474	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+2K-H"	76.91904
"1097660"	275.99094	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2K-H"	76.91904
"154836"	238.035058	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"2M+2K"	77.926316
"591479"	337.571008	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"3M+2K"	77.926316
"1080731"	138.499108	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2K"	77.926316
"1110661"	278.005492	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2K+H"	78.933592
"1341213"	278.093107	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+DMSO+H"	79.021207
"1007676"	282.132276	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2ACN+H"	83.060376
"1526780"	283.125908	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+IsoProp+Na+H"	84.054008
"991162"	141.569776	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+2ACN+2H"	84.067652
"1589918"	284.040528	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+K+HCOOH"	84.968628
"1422141"	314.072038	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+H+CF3COOH"	115.000138
"1152431"	162.083051	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+3ACN+2H"	125.094202
"1703080"	331.098585	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+NH4+CF3COOH"	132.026685
"1637638"	336.05398	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+Na+CF3COOH"	136.98208
"1585320"	352.02792	"C04446"	"3-(34-Dihydroxypyridin-1-yl)-L-alanine"	"C8H11N2O4"	"199.0719"	"M+K+CF3COOH"	152.95602
"812404"	183.0532	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M"	0
"982656"	164.03481	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-H2O-H"	-19.01839
"66525"	121.028190666667	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M-3H"	-3.021828
"506085"	182.045924	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M-3H"	-3.021828
"888263"	60.0104573333333	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-3H"	-3.021828
"9025"	182.045924	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M-2H"	-2.014552
"449682"	273.572524	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M-2H"	-2.014552
"827484"	90.519324	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-2H"	-2.014552
"89663"	365.099124	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M-H"	-1.007276
"529953"	548.152324	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M-H"	-1.007276
"903745"	182.045924	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-H"	-1.007276
"60188"	382.125671	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M-2H+NH4"	16.019271
"496590"	565.178871	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M-2H+NH4"	16.019271
"876578"	199.072471	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-2H+NH4"	16.019271
"42295"	387.081066	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M-2H+Na"	20.974666
"479667"	570.134266	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M-2H+Na"	20.974666
"854916"	204.027866	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-2H+Na"	20.974666
"1623355"	204.027866	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Na-2H"	20.974666
"99519"	200.034263	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M-H+Cl"	33.962126
"543089"	291.560863	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M-H+Cl"	33.962126
"938790"	108.507663	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-H+Cl"	33.962126
"277347"	401.075802	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+Cl"	34.969402
"667582"	584.129002	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+Cl"	34.969402
"1285453"	218.022602	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Cl"	34.969402
"20354"	403.055006	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M-2H+K"	36.948606
"459914"	586.108206	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M-2H+K"	36.948606
"840996"	220.001806	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-2H+K"	36.948606
"1564484"	220.001806	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+K-2H"	36.948606
"949091"	228.051394	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-H+HCOOH"	44.998194
"369495"	411.104601	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+HCOOH-H"	44.998201
"356661"	425.120251	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+Hac-H"	59.013851
"1502214"	242.067051	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Hac-H"	59.013851
"967571"	250.033351	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-H+NaCOOH"	66.980151
"116476"	218.022602	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+2Cl"	69.938804
"560413"	309.549202	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+2Cl"	69.938804
"1030314"	126.496002	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2Cl"	69.938804
"1256451"	261.972085	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Br"	78.918885
"1316714"	264.028072	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Cl+HCOOH"	80.974872
"1333484"	286.010029	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Cl+NaCOOH"	102.956829
"921628"	296.038786	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M-H+CF3COOH"	112.985586
"1297608"	332.015464	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Cl+CF3COOH"	148.962264
"1374675"	148.040524	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H-2H2O"	-35.012676
"1385974"	166.0505	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H-H2O"	-17.0027
"289672"	367.113676	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+H"	1.007276
"678080"	550.166876	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+H"	1.007276
"1353699"	184.060476	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H"	1.007276
"128776"	184.060476	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+2H"	2.014552
"570159"	275.587076	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+2H"	2.014552
"1040417"	92.533876	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2H"	2.014552
"208318"	123.042742666667	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+3H"	3.021828
"653711"	184.060476	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+3H"	3.021828
"1170010"	62.0250093333333	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+3H"	3.021828
"435105"	384.140223	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+NH4"	18.033823
"792456"	567.193423	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+NH4"	18.033823
"1685508"	201.087023	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+NH4"	18.033823
"334514"	192.5737495	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+H+NH4"	19.041099
"728762"	284.1003495	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+H+NH4"	19.041099
"1480397"	101.0471495	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H+NH4"	19.041099
"397985"	389.095618	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+Na"	22.989218
"755821"	572.148818	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+Na"	22.989218
"1604891"	206.042418	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Na"	22.989218
"321491"	195.051447	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+H+Na"	23.996494
"713911"	286.578047	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+H+Na"	23.996494
"1468826"	103.524847	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H+Na"	23.996494
"1057696"	69.3523233333333	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2H+Na"	25.00377
"1263749"	216.086686	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+CH3OH+H"	33.033486
"384515"	405.069558	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+K"	38.963158
"746604"	588.122758	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+K"	38.963158
"1542461"	222.016358	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+K"	38.963158
"304740"	203.038417	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+H+K"	39.970434
"702623"	294.565017	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+H+K"	39.970434
"1456811"	111.511817	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H+K"	39.970434
"247234"	408.140226	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+ACN+H"	42.033826
"1222496"	225.087026	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+ACN+H"	42.033826
"1206015"	113.047151	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+ACN+2H"	43.041102
"195603"	411.07756	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+2Na-H"	44.97116
"637350"	594.13076	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+2Na-H"	44.97116
"1133573"	228.02436	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2Na-H"	44.97116
"188492"	206.042418	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+2Na"	45.978436
"628301"	297.569018	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+2Na"	45.978436
"1131198"	114.515818	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2Na"	45.978436
"1413914"	76.6796373333333	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H+2Na"	46.985712
"1445560"	230.065946	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H+HCOOH"	47.012746
"231469"	211.07544	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+3H2O+2H"	56.04448
"1522812"	244.11799	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+IsoProp+H"	61.06479
"423877"	214.029388	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+Na+K"	61.952376
"784464"	305.555988	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+Na+K"	61.952376
"1672532"	122.502788	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Na+K"	61.952376
"263063"	430.122168	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+ACN+Na"	64.015768
"1236500"	247.068968	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+ACN+Na"	64.015768
"1723567"	247.092493	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+NH4+HCOOH"	64.039293
"1190015"	84.0069513333333	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+3Na"	68.967654
"1659907"	252.047888	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Na+HCOOH"	68.994688
"167860"	443.02544	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+2K-H"	76.91904
"608519"	626.07864	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+2K-H"	76.91904
"1095217"	259.97224	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2K-H"	76.91904
"154584"	222.016358	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"2M+2K"	77.926316
"592682"	313.542958	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"3M+2K"	77.926316
"1078288"	130.489758	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2K"	77.926316
"1111500"	261.986792	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2K+H"	78.933592
"1347886"	262.074407	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+DMSO+H"	79.021207
"1018969"	266.113576	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2ACN+H"	83.060376
"1532351"	267.107208	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+IsoProp+Na+H"	84.054008
"1002081"	133.560426	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+2ACN+2H"	84.067652
"1587711"	268.021828	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+K+HCOOH"	84.968628
"1417875"	298.053338	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+H+CF3COOH"	115.000138
"1149255"	154.073701	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+3ACN+2H"	125.094202
"1700999"	315.079885	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+NH4+CF3COOH"	132.026685
"1638840"	320.03528	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+Na+CF3COOH"	136.98208
"1585430"	336.00922	"C04447"	"3-Carboxy-4-methoxy-N-methyl-2-pyridone"	"C8H9NO4"	"183.0532"	"M+K+CF3COOH"	152.95602
"802674"	301.0798	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M"	0
"980581"	282.06141	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-H2O-H"	-19.01839
"65542"	199.712590666667	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M-3H"	-3.021828
"512761"	300.072524	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M-3H"	-3.021828
"890563"	99.3526573333333	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-3H"	-3.021828
"6952"	300.072524	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M-2H"	-2.014552
"449793"	450.612424	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M-2H"	-2.014552
"828687"	149.532624	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-2H"	-2.014552
"87586"	601.152324	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M-H"	-1.007276
"530427"	902.232124	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M-H"	-1.007276
"904950"	300.072524	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-H"	-1.007276
"56043"	618.178871	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M-2H+NH4"	16.019271
"497792"	919.258671	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M-2H+NH4"	16.019271
"871219"	317.099071	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-2H+NH4"	16.019271
"39122"	623.134266	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M-2H+Na"	20.974666
"474308"	924.214066	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M-2H+Na"	20.974666
"855390"	322.054466	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-2H+Na"	20.974666
"1620184"	322.054466	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Na-2H"	20.974666
"96713"	318.060863	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M-H+Cl"	33.962126
"539918"	468.600763	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M-H+Cl"	33.962126
"936714"	167.520963	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-H+Cl"	33.962126
"270168"	637.129002	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+Cl"	34.969402
"665504"	938.208802	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+Cl"	34.969402
"1276815"	336.049202	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Cl"	34.969402
"19370"	639.108206	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M-2H+K"	36.948606
"461118"	940.188006	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M-2H+K"	36.948606
"841105"	338.028406	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-2H+K"	36.948606
"1561316"	338.028406	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+K-2H"	36.948606
"947013"	346.077994	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-H+HCOOH"	44.998194
"367418"	647.157801	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+HCOOH-H"	44.998201
"354586"	661.173451	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+Hac-H"	59.013851
"1501234"	360.093651	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Hac-H"	59.013851
"968773"	368.059951	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-H+NaCOOH"	66.980151
"115493"	336.049202	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+2Cl"	69.938804
"558335"	486.589102	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+2Cl"	69.938804
"1028236"	185.509302	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2Cl"	69.938804
"1248907"	379.998685	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Br"	78.918885
"1305522"	382.054672	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Cl+HCOOH"	80.974872
"1327759"	404.036629	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Cl+NaCOOH"	102.956829
"919911"	414.065386	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M-H+CF3COOH"	112.985586
"1298809"	450.042064	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Cl+CF3COOH"	148.962264
"1371868"	266.067124	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H-2H2O"	-35.012676
"1385719"	284.0771	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H-H2O"	-17.0027
"283052"	603.166876	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+H"	1.007276
"678555"	904.246676	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+H"	1.007276
"1352838"	302.087076	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H"	1.007276
"130346"	302.087076	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+2H"	2.014552
"567719"	452.626976	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+2H"	2.014552
"1039068"	151.547176	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2H"	2.014552
"210977"	201.727142666667	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+3H"	3.021828
"649446"	302.087076	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+3H"	3.021828
"1168664"	101.367209333333	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+3H"	3.021828
"428292"	620.193423	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+NH4"	18.033823
"789288"	921.273223	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+NH4"	18.033823
"1684525"	319.113623	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+NH4"	18.033823
"331711"	310.6003495	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+H+NH4"	19.041099
"725597"	461.1402495	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+H+NH4"	19.041099
"1480511"	160.0604495	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H+NH4"	19.041099
"395546"	625.148818	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+Na"	22.989218
"757998"	926.228618	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+Na"	22.989218
"1606096"	324.069018	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Na"	22.989218
"318321"	313.078047	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+H+Na"	23.996494
"711836"	463.617947	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+H+Na"	23.996494
"1466751"	162.538147	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H+Na"	23.996494
"1057809"	108.694523333333	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2H+Na"	25.00377
"1265684"	334.113286	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+CH3OH+H"	33.033486
"382438"	641.122758	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+K"	38.963158
"741246"	942.202558	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+K"	38.963158
"1544394"	340.042958	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+K"	38.963158
"303752"	321.065017	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+H+K"	39.970434
"702370"	471.604917	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+H+K"	39.970434
"1448900"	170.525117	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H+K"	39.970434
"245157"	644.193426	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+ACN+H"	42.033826
"1216771"	343.113626	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+ACN+H"	42.033826
"1197374"	172.060451	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+ACN+2H"	43.041102
"194618"	647.13076	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+2Na-H"	44.97116
"640750"	948.21056	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+2Na-H"	44.97116
"1146449"	346.05096	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2Na-H"	44.97116
"185361"	324.069018	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+2Na"	45.978436
"627112"	474.608918	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+2Na"	45.978436
"1128427"	173.529118	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2Na"	45.978436
"1408671"	116.021837333333	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H+2Na"	46.985712
"1444434"	348.092546	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H+HCOOH"	47.012746
"229391"	329.10204	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+3H2O+2H"	56.04448
"1519640"	362.14459	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+IsoProp+H"	61.06479
"420418"	332.055988	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+Na+K"	61.952376
"783599"	482.595888	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+Na+K"	61.952376
"1675556"	181.516088	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Na+K"	61.952376
"262078"	666.175368	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+ACN+Na"	64.015768
"1238797"	365.095568	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+ACN+Na"	64.015768
"1723309"	365.119093	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+NH4+HCOOH"	64.039293
"1189030"	123.349151333333	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+3Na"	68.967654
"1660016"	370.074488	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Na+HCOOH"	68.994688
"166878"	679.07864	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+2K-H"	76.91904
"608262"	980.15844	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+2K-H"	76.91904
"1094595"	377.99884	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2K-H"	76.91904
"153231"	340.042958	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"2M+2K"	77.926316
"591702"	490.582858	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"3M+2K"	77.926316
"1079861"	189.503058	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2K"	77.926316
"1114896"	380.013392	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2K+H"	78.933592
"1347633"	380.101007	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+DMSO+H"	79.021207
"1014336"	384.140176	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2ACN+H"	83.060376
"1536108"	385.133808	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+IsoProp+Na+H"	84.054008
"992350"	192.573726	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+2ACN+2H"	84.067652
"1596702"	386.048428	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+K+HCOOH"	84.968628
"1419080"	416.079938	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+H+CF3COOH"	115.000138
"1155935"	213.087001	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+3ACN+2H"	125.094202
"1697832"	433.106485	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+NH4+CF3COOH"	132.026685
"1641139"	438.06188	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+Na+CF3COOH"	136.98208
"1582261"	454.03582	"C04452"	"4-Nitrophenol-alpha-D-galactopyranoside"	"C12H15NO8"	"301.0798"	"M+K+CF3COOH"	152.95602
"809345"	398.3549	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M"	0
"977410"	379.33651	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"71120"	264.562657333333	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"510682"	397.347624	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"890673"	131.777690666667	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"10342"	397.347624	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"449903"	596.525074	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"828797"	198.170174	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"91951"	795.702524	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"529445"	1194.057424	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"906155"	397.347624	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"57249"	812.729071	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"491343"	1211.083971	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"868413"	414.374171	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"34493"	817.684466	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"475513"	1216.039366	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"854407"	419.329566	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1620294"	419.329566	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"96092"	415.335963	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"537476"	614.513413	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"935730"	216.158513	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"272101"	831.679202	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"665614"	1230.034102	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1275832"	433.324302	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"20207"	833.658406	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"459405"	1232.013306	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"840121"	435.303506	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1561427"	435.303506	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"947124"	443.353094	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"367529"	841.708001	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"354697"	855.723651	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1498064"	457.368751	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"963417"	465.335051	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"115603"	433.324302	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"558446"	632.501752	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1027253"	234.146852	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1247925"	477.273785	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1313654"	479.329772	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1325680"	501.311729	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"925124"	511.340486	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1295641"	547.317164	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1371978"	363.342224	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1388018"	381.3522	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"285516"	797.717076	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"676963"	1196.071976	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1354286"	399.362176	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H"	1.007276
"128268"	399.362176	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"571110"	598.539626	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1038450"	200.184726	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"216555"	266.577209333333	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"652836"	399.362176	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1168774"	133.792242666667	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"429860"	814.743623	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"788668"	1213.098523	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1684270"	416.388723	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"331457"	407.8754495	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"724610"	607.0528995	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1479528"	208.6979995	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"395292"	819.699018	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"758108"	1218.053918	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1609486"	421.344118	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"319524"	410.353147	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"710853"	609.530597	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1470142"	211.175697	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1062293"	141.119556666667	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1266158"	431.388386	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"382549"	835.672958	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"749010"	1234.027858	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1550336"	437.318058	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+K"	38.963158
"306049"	418.340117	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"702844"	617.517567	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1453384"	219.162667	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"249278"	838.743626	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1220162"	440.388726	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1202951"	220.698001	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"198011"	841.68096	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"639403"	1240.03586	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1144008"	443.32606	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"186204"	421.344118	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"625767"	620.521568	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1129635"	222.166668	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1409877"	148.446870666667	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1444545"	445.367646	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"231325"	426.37714	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1520119"	459.41969	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"421624"	429.331088	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"781158"	628.508538	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1677125"	230.153638	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"262554"	860.725568	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1237451"	462.370668	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1724879"	462.394193	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1189871"	155.774184666667	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1657942"	467.349588	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"168450"	873.62884	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"609831"	1271.98374	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1094342"	475.27394	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"151888"	437.318058	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"594000"	636.495508	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1081064"	238.140608	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1115252"	477.288492	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1348472"	477.376107	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1017729"	481.415276	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1531478"	482.408908	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"990759"	241.211276	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1595719"	483.323528	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1420283"	513.355038	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1156045"	261.724551	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1701224"	530.381585	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1644530"	535.33698	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1582371"	551.31092	"C04453"	"4alpha-Methyl-5alpha-cholest-7-en-3-one"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"802894"	356.0733	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M"	0
"974758"	337.05491	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-H2O-H"	-19.01839
"64669"	236.374924	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M-3H"	-3.021828
"510792"	355.066024	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M-3H"	-3.021828
"890783"	117.683824	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-3H"	-3.021828
"9359"	355.066024	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M-2H"	-2.014552
"450013"	533.102674	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M-2H"	-2.014552
"826721"	177.029374	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-2H"	-2.014552
"91454"	711.139324	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M-H"	-1.007276
"530284"	1067.212624	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M-H"	-1.007276
"902983"	355.066024	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-H"	-1.007276
"57359"	728.165871	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M-2H+NH4"	16.019271
"499106"	1084.239171	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M-2H+NH4"	16.019271
"870711"	372.092571	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-2H+NH4"	16.019271
"34237"	733.121266	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M-2H+Na"	20.974666
"473796"	1089.194566	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M-2H+Na"	20.974666
"853423"	377.047966	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-2H+Na"	20.974666
"1622228"	377.047966	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Na-2H"	20.974666
"95838"	373.054363	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M-H+Cl"	33.962126
"536858"	551.091013	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M-H+Cl"	33.962126
"938025"	195.017713	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-H+Cl"	33.962126
"274394"	747.116002	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+Cl"	34.969402
"674352"	1103.189302	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+Cl"	34.969402
"1278122"	391.042702	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Cl"	34.969402
"20680"	749.095206	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M-2H+K"	36.948606
"461337"	1105.168506	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M-2H+K"	36.948606
"836951"	393.021906	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-2H+K"	36.948606
"1563723"	393.021906	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+K-2H"	36.948606
"948327"	401.071494	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-H+HCOOH"	44.998194
"370919"	757.144801	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+HCOOH-H"	44.998201
"350432"	771.160451	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+Hac-H"	59.013851
"1497443"	415.087151	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Hac-H"	59.013851
"964620"	423.053451	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-H+NaCOOH"	66.980151
"113891"	391.042702	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+2Cl"	69.938804
"558555"	569.079352	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+2Cl"	69.938804
"1027359"	213.006052	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2Cl"	69.938804
"1242198"	434.992185	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Br"	78.918885
"1304232"	437.048172	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Cl+HCOOH"	80.974872
"1320276"	459.030129	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Cl+NaCOOH"	102.956829
"919037"	469.058886	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M-H+CF3COOH"	112.985586
"1291371"	505.035564	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Cl+CF3COOH"	148.962264
"1367216"	321.060624	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H-2H2O"	-35.012676
"1383386"	339.0706	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H-H2O"	-17.0027
"285626"	713.153876	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+H"	1.007276
"675927"	1069.227176	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+H"	1.007276
"1352571"	357.080576	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H"	1.007276
"127283"	357.080576	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+2H"	2.014552
"567209"	535.117226	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+2H"	2.014552
"1037951"	179.043926	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2H"	2.014552
"206824"	238.389476	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+3H"	3.021828
"649666"	357.080576	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+3H"	3.021828
"1165968"	119.698376	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+3H"	3.021828
"427416"	730.180423	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+NH4"	18.033823
"788778"	1086.253723	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+NH4"	18.033823
"1683648"	374.107123	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+NH4"	18.033823
"330594"	365.5938495	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+H+NH4"	19.041099
"725814"	543.6304995	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+H+NH4"	19.041099
"1480730"	187.5571995	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H+NH4"	19.041099
"398316"	735.135818	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+Na"	22.989218
"757124"	1091.209118	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+Na"	22.989218
"1607411"	379.062518	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Na"	22.989218
"315261"	368.071547	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+H+Na"	23.996494
"709871"	546.108197	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+H+Na"	23.996494
"1469159"	190.034897	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H+Na"	23.996494
"1062040"	127.02569	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2H+Na"	25.00377
"1261897"	389.106786	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+CH3OH+H"	33.033486
"382658"	751.109758	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+K"	38.963158
"745840"	1107.183058	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+K"	38.963158
"1548987"	395.036458	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+K"	38.963158
"306159"	376.058517	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+H+K"	39.970434
"700767"	554.095167	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+H+K"	39.970434
"1455681"	198.021867	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H+K"	39.970434
"249023"	754.180426	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+ACN+H"	42.033826
"1218086"	398.107126	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+ACN+H"	42.033826
"1198687"	199.557201	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+ACN+2H"	43.041102
"194840"	757.11776	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+2Na-H"	44.97116
"632218"	1113.19106	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+2Na-H"	44.97116
"1138279"	401.04446	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2Na-H"	44.97116
"185219"	379.062518	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+2Na"	45.978436
"622595"	557.099168	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+2Na"	45.978436
"1128651"	201.025868	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2Na"	45.978436
"1403425"	134.353004	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H+2Na"	46.985712
"1438460"	403.086046	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H+HCOOH"	47.012746
"227425"	384.09554	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+3H2O+2H"	56.04448
"1518771"	417.13809	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+IsoProp+H"	61.06479
"415171"	387.049488	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+Na+K"	61.952376
"775075"	565.086138	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+Na+K"	61.952376
"1671406"	209.012838	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Na+K"	61.952376
"259019"	776.162368	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+ACN+Na"	64.015768
"1235373"	420.089068	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+ACN+Na"	64.015768
"1723169"	420.112593	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+NH4+HCOOH"	64.039293
"1190710"	141.680318	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+3Na"	68.967654
"1659876"	425.067988	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Na+HCOOH"	68.994688
"166737"	789.06564	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+2K-H"	76.91904
"607027"	1145.13894	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+2K-H"	76.91904
"1094453"	432.99234	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2K-H"	76.91904
"150905"	395.036458	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"2M+2K"	77.926316
"591924"	573.073108	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"3M+2K"	77.926316
"1081904"	216.999808	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2K"	77.926316
"1114999"	435.006892	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2K+H"	78.933592
"1348583"	435.094507	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+DMSO+H"	79.021207
"1016746"	439.133676	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2ACN+H"	83.060376
"1533776"	440.127308	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+IsoProp+Na+H"	84.054008
"990747"	220.070476	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+2ACN+2H"	84.067652
"1587229"	441.041928	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+K+HCOOH"	84.968628
"1415163"	471.073438	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+H+CF3COOH"	115.000138
"1149589"	240.583751	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+3ACN+2H"	125.094202
"1701334"	488.099985	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+NH4+CF3COOH"	132.026685
"1647920"	493.05538	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+Na+CF3COOH"	136.98208
"1582481"	509.02932	"C04454"	"5-Amino-6-(5-phospho-D-ribitylamino)uracil;5-Amino-26-dioxy-4-(5-phospho-D-ribitylamino)pyrimidine;5-Amino-6-(5-phospho-D-ribitylamino)uracil"	"C9H17N4O9P"	"356.0733"	"M+K+CF3COOH"	152.95602
"806285"	743.214	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M"	0
"974792"	724.19561	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-H2O-H"	-19.01839
"73528"	494.468724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M-3H"	-3.021828
"516369"	742.206724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M-3H"	-3.021828
"895187"	246.730724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-3H"	-3.021828
"8372"	742.206724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H"	-2.014552
"449027"	1113.813724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H"	-2.014552
"826829"	370.599724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-2H"	-2.014552
"90101"	1485.420724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M-H"	-1.007276
"528571"	2228.634724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M-H"	-1.007276
"907465"	742.206724	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-H"	-1.007276
"59657"	1502.447271	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H+NH4"	16.019271
"499216"	2245.661271	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H+NH4"	16.019271
"875923"	759.233271	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-2H+NH4"	16.019271
"36533"	1507.402666	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H+Na"	20.974666
"480102"	2250.616666	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H+Na"	20.974666
"860092"	764.188666	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-2H+Na"	20.974666
"1629626"	764.188666	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Na-2H"	20.974666
"106151"	760.195063	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M-H+Cl"	33.962126
"542434"	1131.802063	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M-H+Cl"	33.962126
"940322"	388.588063	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-H+Cl"	33.962126
"278878"	1521.397402	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+Cl"	34.969402
"675479"	2264.611402	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+Cl"	34.969402
"1287672"	778.183402	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl"	34.969402
"27351"	1523.376606	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M-2H+K"	36.948606
"464724"	2266.590606	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M-2H+K"	36.948606
"840349"	780.162606	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-2H+K"	36.948606
"1560554"	780.162606	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+K-2H"	36.948606
"950628"	788.212194	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-H+HCOOH"	44.998194
"367751"	1531.426201	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+HCOOH-H"	44.998201
"353824"	1545.441851	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+Hac-H"	59.013851
"1501563"	802.227851	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Hac-H"	59.013851
"962539"	810.194151	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-H+NaCOOH"	66.980151
"113635"	778.183402	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+2Cl"	69.938804
"552106"	1149.790402	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+2Cl"	69.938804
"1026376"	406.576402	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2Cl"	69.938804
"1243038"	822.132885	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Br"	78.918885
"1304593"	824.188872	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl+HCOOH"	80.974872
"1320917"	846.170829	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl+NaCOOH"	102.956829
"913676"	856.199586	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M-H+CF3COOH"	112.985586
"1293305"	892.176264	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Cl+CF3COOH"	148.962264
"1370375"	708.201324	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H-2H2O"	-35.012676
"1387141"	726.2113	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H-H2O"	-17.0027
"285005"	1487.435276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+H"	1.007276
"677428"	2230.649276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+H"	1.007276
"1352801"	744.221276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H"	1.007276
"129215"	744.221276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+2H"	2.014552
"569507"	1115.828276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+2H"	2.014552
"1039761"	372.614276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2H"	2.014552
"205468"	496.483276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+3H"	3.021828
"645759"	744.221276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+3H"	3.021828
"1163398"	248.745276	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+3H"	3.021828
"427524"	1504.461823	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+NH4"	18.033823
"788158"	2247.675823	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+NH4"	18.033823
"1683758"	761.247823	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+NH4"	18.033823
"330942"	752.7345495	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+H+NH4"	19.041099
"724828"	1124.3415495	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+H+NH4"	19.041099
"1483026"	381.1275495	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H+NH4"	19.041099
"398423"	1509.417218	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+Na"	22.989218
"762699"	2252.631218	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+Na"	22.989218
"1604356"	766.203218	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Na"	22.989218
"320834"	755.212247	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+H+Na"	23.996494
"716536"	1126.819247	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+H+Na"	23.996494
"1465983"	383.605247	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H+Na"	23.996494
"1062511"	256.07259	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2H+Na"	25.00377
"1264187"	776.247486	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+CH3OH+H"	33.033486
"388231"	1525.391158	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+K"	38.963158
"742670"	2268.605158	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+K"	38.963158
"1544718"	782.177158	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+K"	38.963158
"305175"	763.199217	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+H+K"	39.970434
"705251"	1134.806217	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+H+K"	39.970434
"1456884"	391.592217	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H+K"	39.970434
"249864"	1528.461826	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+ACN+H"	42.033826
"1220382"	785.247826	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+ACN+H"	42.033826
"1206452"	393.127551	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+ACN+2H"	43.041102
"196052"	1531.39916	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+2Na-H"	44.97116
"633424"	2274.61316	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+2Na-H"	44.97116
"1137660"	788.18516	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2Na-H"	44.97116
"185325"	766.203218	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+2Na"	45.978436
"625248"	1137.810218	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+2Na"	45.978436
"1126569"	394.596218	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2Na"	45.978436
"1411187"	263.399904	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H+2Na"	46.985712
"1438929"	790.226746	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H+HCOOH"	47.012746
"231546"	771.23624	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+3H2O+2H"	56.04448
"1519243"	804.27879	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+IsoProp+H"	61.06479
"422210"	774.190188	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+Na+K"	61.952376
"781384"	1145.797188	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+Na+K"	61.952376
"1675891"	402.583188	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Na+K"	61.952376
"264234"	1550.443768	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+ACN+Na"	64.015768
"1239859"	807.229768	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+ACN+Na"	64.015768
"1726195"	807.253293	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+NH4+HCOOH"	64.039293
"1190088"	270.727218	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+3Na"	68.967654
"1660349"	812.208688	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Na+HCOOH"	68.994688
"166483"	1563.34704	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+2K-H"	76.91904
"610052"	2306.56104	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+2K-H"	76.91904
"1095292"	820.13304	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2K-H"	76.91904
"152474"	782.177158	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"2M+2K"	77.926316
"595076"	1153.784158	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"3M+2K"	77.926316
"1082627"	410.570158	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2K"	77.926316
"1113037"	822.147592	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2K+H"	78.933592
"1343951"	822.235207	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+DMSO+H"	79.021207
"1018681"	826.274376	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2ACN+H"	83.060376
"1533886"	827.268008	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+IsoProp+Na+H"	84.054008
"993778"	413.640826	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+2ACN+2H"	84.067652
"1589009"	828.182628	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+K+HCOOH"	84.968628
"1421602"	858.214138	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+H+CF3COOH"	115.000138
"1162628"	434.154101	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+3ACN+2H"	125.094202
"1704725"	875.240685	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+NH4+CF3COOH"	132.026685
"1648765"	880.19608	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+Na+CF3COOH"	136.98208
"1582592"	896.17002	"C04458"	"Dihydrostreptomycin 63-bis-phosphate"	"C21H43N7O18P2"	"743.214"	"M+K+CF3COOH"	152.95602
"803116"	381.0226	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M"	0
"986491"	362.00421	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-H2O-H"	-19.01839
"65984"	253.007790666667	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M-3H"	-3.021828
"513201"	380.015324	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M-3H"	-3.021828
"885534"	126.000257333333	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-3H"	-3.021828
"6296"	380.015324	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M-2H"	-2.014552
"442941"	570.526624	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M-2H"	-2.014552
"820378"	189.504024	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-2H"	-2.014552
"86932"	761.037924	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M-H"	-1.007276
"529772"	1142.060524	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M-H"	-1.007276
"907577"	380.015324	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-H"	-1.007276
"56485"	778.064471	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M-2H+NH4"	16.019271
"500055"	1159.087071	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M-2H+NH4"	16.019271
"873847"	397.041871	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-2H+NH4"	16.019271
"37373"	783.019866	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M-2H+Na"	20.974666
"474018"	1164.042466	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M-2H+Na"	20.974666
"856922"	401.997266	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-2H+Na"	20.974666
"1628641"	401.997266	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Na-2H"	20.974666
"101892"	398.003663	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M-H+Cl"	33.962126
"539264"	588.514963	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M-H+Cl"	33.962126
"939337"	207.492363	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-H+Cl"	33.962126
"271333"	797.014602	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+Cl"	34.969402
"668128"	1178.037202	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+Cl"	34.969402
"1282719"	415.992002	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Cl"	34.969402
"24183"	798.993806	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M-2H+K"	36.948606
"462656"	1180.016406	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M-2H+K"	36.948606
"840459"	417.971206	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-2H+K"	36.948606
"1562857"	417.971206	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+K-2H"	36.948606
"943816"	426.020794	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-H+HCOOH"	44.998194
"364946"	807.043401	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+HCOOH-H"	44.998201
"353932"	821.059051	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+Hac-H"	59.013851
"1502765"	440.036451	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Hac-H"	59.013851
"961560"	448.002751	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-H+NaCOOH"	66.980151
"113019"	415.992002	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+2Cl"	69.938804
"553311"	606.503302	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+2Cl"	69.938804
"1023202"	225.480702	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2Cl"	69.938804
"1243877"	459.941485	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Br"	78.918885
"1304623"	461.997472	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Cl+HCOOH"	80.974872
"1321270"	483.979429	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Cl+NaCOOH"	102.956829
"912695"	494.008186	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M-H+CF3COOH"	112.985586
"1291592"	529.984864	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Cl+CF3COOH"	148.962264
"1370118"	346.009924	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H-2H2O"	-35.012676
"1385428"	364.0199	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H-H2O"	-17.0027
"285116"	763.052476	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+H"	1.007276
"676808"	1144.075076	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+H"	1.007276
"1353155"	382.029876	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H"	1.007276
"127136"	382.029876	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+2H"	2.014552
"567782"	572.541176	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+2H"	2.014552
"1037315"	191.518576	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2H"	2.014552
"205938"	255.022342666667	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+3H"	3.021828
"644273"	382.029876	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+3H"	3.021828
"1162792"	128.014809333333	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+3H"	3.021828
"424475"	780.079023	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+NH4"	18.033823
"786806"	1161.101623	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+NH4"	18.033823
"1681316"	399.056423	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+NH4"	18.033823
"333609"	390.5431495	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+H+NH4"	19.041099
"725305"	581.0544495	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+H+NH4"	19.041099
"1479487"	200.0318495	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H+NH4"	19.041099
"396346"	785.034418	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+Na"	22.989218
"760622"	1166.057018	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+Na"	22.989218
"1608722"	404.011818	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Na"	22.989218
"318758"	393.020847	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+H+Na"	23.996494
"711179"	583.532147	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+H+Na"	23.996494
"1466094"	202.509547	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H+Na"	23.996494
"1058245"	135.342123333333	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2H+Na"	25.00377
"1265392"	414.056086	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+CH3OH+H"	33.033486
"381781"	801.008358	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+K"	38.963158
"740953"	1182.030958	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+K"	38.963158
"1540819"	419.985758	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+K"	38.963158
"299818"	401.007817	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+H+K"	39.970434
"699893"	591.519117	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+H+K"	39.970434
"1453714"	210.496517	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H+K"	39.970434
"240130"	804.079026	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+ACN+H"	42.033826
"1217212"	423.056426	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+ACN+H"	42.033826
"1199281"	212.031851	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+ACN+2H"	43.041102
"192881"	807.01636	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+2Na-H"	44.97116
"633532"	1188.03896	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+2Na-H"	44.97116
"1140323"	425.99376	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2Na-H"	44.97116
"185800"	404.011818	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+2Na"	45.978436
"620257"	594.523118	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+2Na"	45.978436
"1120483"	213.500518	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2Na"	45.978436
"1402911"	142.669437333333	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H+2Na"	46.985712
"1435759"	428.035346	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H+HCOOH"	47.012746
"223270"	409.04484	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+3H2O+2H"	56.04448
"1514611"	442.08739	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+IsoProp+H"	61.06479
"416483"	411.998788	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+Na+K"	61.952376
"780761"	602.510088	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+Na+K"	61.952376
"1675999"	221.487488	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Na+K"	61.952376
"259239"	826.060968	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+ACN+Na"	64.015768
"1235958"	445.038368	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+ACN+Na"	64.015768
"1723020"	445.061893	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+NH4+HCOOH"	64.039293
"1188375"	149.996751333333	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+3Na"	68.967654
"1660457"	450.017288	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Na+HCOOH"	68.994688
"170236"	838.96424	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+2K-H"	76.91904
"610890"	1219.98684	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+2K-H"	76.91904
"1096129"	457.94164	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2K-H"	76.91904
"151123"	419.985758	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"2M+2K"	77.926316
"593601"	610.497058	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"3M+2K"	77.926316
"1077748"	229.474458	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2K"	77.926316
"1108769"	459.956192	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2K+H"	78.933592
"1336282"	460.043807	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+DMSO+H"	79.021207
"1006150"	464.082976	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2ACN+H"	83.060376
"1529632"	465.076608	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+IsoProp+Na+H"	84.054008
"991704"	232.545126	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+2ACN+2H"	84.067652
"1588514"	465.991228	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+K+HCOOH"	84.968628
"1427187"	496.022738	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+H+CF3COOH"	115.000138
"1159661"	253.058401	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+3ACN+2H"	125.094202
"1711040"	513.049285	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+NH4+CF3COOH"	132.026685
"1648512"	518.00468	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+Na+CF3COOH"	136.98208
"1582703"	533.97862	"C04461"	"N-Acetyl-D-glucosamine 16-bisphosphate;N-Acetyl-alpha-D-glucosamine 16-bisphosphate"	"C8H17NO12P2"	"381.0226"	"M+K+CF3COOH"	152.95602
"803226"	289.0798	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M"	0
"976760"	270.06141	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-H2O-H"	-19.01839
"64271"	191.712590666667	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M-3H"	-3.021828
"511124"	288.072524	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M-3H"	-3.021828
"888925"	95.3526573333333	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-3H"	-3.021828
"6406"	288.072524	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M-2H"	-2.014552
"443780"	432.612424	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M-2H"	-2.014552
"819394"	143.532624	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-2H"	-2.014552
"85949"	577.152324	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M-H"	-1.007276
"529884"	866.232124	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M-H"	-1.007276
"906595"	288.072524	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-H"	-1.007276
"56595"	594.178871	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M-2H+NH4"	16.019271
"493969"	883.258671	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M-2H+NH4"	16.019271
"872865"	305.099071	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-2H+NH4"	16.019271
"38578"	599.134266	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M-2H+Na"	20.974666
"477408"	888.214066	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M-2H+Na"	20.974666
"854847"	310.054466	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-2H+Na"	20.974666
"1627658"	310.054466	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Na-2H"	20.974666
"100908"	306.060863	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M-H+Cl"	33.962126
"537188"	450.600763	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M-H+Cl"	33.962126
"939083"	161.520963	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-H+Cl"	33.962126
"270714"	613.129002	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+Cl"	34.969402
"664958"	902.208802	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+Cl"	34.969402
"1278456"	324.049202	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Cl"	34.969402
"21012"	615.108206	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M-2H+K"	36.948606
"461673"	904.188006	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M-2H+K"	36.948606
"840569"	326.028406	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-2H+K"	36.948606
"1568432"	326.028406	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+K-2H"	36.948606
"950848"	334.077994	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-H+HCOOH"	44.998194
"365782"	623.157801	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+HCOOH-H"	44.998201
"350760"	637.173451	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+Hac-H"	59.013851
"1497406"	348.093651	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Hac-H"	59.013851
"964947"	356.059951	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-H+NaCOOH"	66.980151
"113860"	324.049202	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+2Cl"	69.938804
"553422"	468.589102	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+2Cl"	69.938804
"1024407"	179.509302	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2Cl"	69.938804
"1242286"	367.998685	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Br"	78.918885
"1304486"	370.054672	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Cl+HCOOH"	80.974872
"1320036"	392.036629	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Cl+NaCOOH"	102.956829
"917182"	402.065386	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M-H+CF3COOH"	112.985586
"1291701"	438.042064	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Cl+CF3COOH"	148.962264
"1368769"	254.067124	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H-2H2O"	-35.012676
"1385903"	272.0771	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H-H2O"	-17.0027
"284862"	579.166876	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+H"	1.007276
"677283"	868.246676	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+H"	1.007276
"1353267"	290.087076	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H"	1.007276
"127246"	290.087076	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+2H"	2.014552
"566799"	434.626976	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+2H"	2.014552
"1037425"	145.547176	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2H"	2.014552
"205081"	193.727142666667	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+3H"	3.021828
"644889"	290.087076	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+3H"	3.021828
"1164473"	97.3672093333333	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+3H"	3.021828
"425557"	596.193423	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+NH4"	18.033823
"786916"	885.273223	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+NH4"	18.033823
"1681590"	307.113623	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+NH4"	18.033823
"332626"	298.6003495	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+H+NH4"	19.041099
"723950"	443.1402495	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+H+NH4"	19.041099
"1481059"	154.0604495	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H+NH4"	19.041099
"397553"	601.148818	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+Na"	22.989218
"757818"	890.228618	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+Na"	22.989218
"1605555"	312.069018	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Na"	22.989218
"317777"	301.078047	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+H+Na"	23.996494
"713479"	445.617947	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+H+Na"	23.996494
"1469485"	156.538147	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H+Na"	23.996494
"1058355"	104.694523333333	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2H+Na"	25.00377
"1261494"	322.113286	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+CH3OH+H"	33.033486
"380798"	617.122758	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+K"	38.963158
"741793"	906.202558	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+K"	38.963158
"1542752"	328.042958	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+K"	38.963158
"299197"	309.065017	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+H+K"	39.970434
"694536"	453.604917	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+H+K"	39.970434
"1450544"	164.525117	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H+K"	39.970434
"239147"	620.193426	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+ACN+H"	42.033826
"1215135"	331.113626	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+ACN+H"	42.033826
"1197205"	166.060451	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+ACN+2H"	43.041102
"193356"	623.13076	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+2Na-H"	44.97116
"633642"	912.21056	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+2Na-H"	44.97116
"1143352"	334.05096	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2Na-H"	44.97116
"184820"	312.069018	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+2Na"	45.978436
"623283"	456.608918	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+2Na"	45.978436
"1125697"	167.529118	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2Na"	45.978436
"1402658"	112.021837333333	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H+2Na"	46.985712
"1435869"	336.092546	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H+HCOOH"	47.012746
"229939"	317.10204	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+3H2O+2H"	56.04448
"1514721"	350.14459	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+IsoProp+H"	61.06479
"419147"	320.055988	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+Na+K"	61.952376
"778684"	464.595888	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+Na+K"	61.952376
"1675381"	175.516088	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Na+K"	61.952376
"260441"	642.175368	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+ACN+Na"	64.015768
"1234975"	353.095568	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+ACN+Na"	64.015768
"1718755"	353.119093	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+NH4+HCOOH"	64.039293
"1187392"	119.349151333333	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+3Na"	68.967654
"1659472"	358.074488	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Na+HCOOH"	68.994688
"169616"	655.07864	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+2K-H"	76.91904
"609176"	944.15844	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+2K-H"	76.91904
"1094782"	365.99884	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2K-H"	76.91904
"152694"	328.042958	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"2M+2K"	77.926316
"593347"	472.582858	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"3M+2K"	77.926316
"1078953"	183.503058	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2K"	77.926316
"1105600"	368.013392	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2K+H"	78.933592
"1336514"	368.101007	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+DMSO+H"	79.021207
"1006261"	372.140176	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2ACN+H"	83.060376
"1529742"	373.133808	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+IsoProp+Na+H"	84.054008
"992907"	186.573726	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+2ACN+2H"	84.067652
"1588015"	374.048428	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+K+HCOOH"	84.968628
"1427295"	404.079938	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+H+CF3COOH"	115.000138
"1156489"	207.087001	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+3ACN+2H"	125.094202
"1703853"	421.106485	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+NH4+CF3COOH"	132.026685
"1648257"	426.06188	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+Na+CF3COOH"	136.98208
"1582813"	442.03582	"C04462"	"N-Succinyl-2-L-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxoheptanedioate;N-Succinyl-L-2-amino-6-oxopimelate;N-Succinyl-2-amino-6-oxo-L-pimelic acid;N-Succinyl-epsilon-keto-L-aminopimelic acid;(S)-2-(Succinylamino)-6-oxoheptanedioate"	"C11H15NO8"	"289.0798"	"M+K+CF3COOH"	152.95602
"804429"	1295.0349	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M"	0
"981243"	1276.01651	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-H2O-H"	-19.01839
"65110"	862.349324	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M-3H"	-3.021828
"510141"	1294.027624	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M-3H"	-3.021828
"892315"	430.671024	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-3H"	-3.021828
"7609"	1294.027624	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M-2H"	-2.014552
"444983"	1941.545074	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M-2H"	-2.014552
"819868"	646.510174	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-2H"	-2.014552
"87152"	2589.062524	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M-H"	-1.007276
"527808"	3884.097424	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M-H"	-1.007276
"905612"	1294.027624	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-H"	-1.007276
"56705"	2606.089071	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M-2H+NH4"	16.019271
"492986"	3901.123971	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M-2H+NH4"	16.019271
"870059"	1311.054171	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-2H+NH4"	16.019271
"36136"	2611.044466	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M-2H+Na"	20.974666
"478248"	3906.079366	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M-2H+Na"	20.974666
"852403"	1316.009566	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-2H+Na"	20.974666
"1621207"	1316.009566	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Na-2H"	20.974666
"96645"	1312.015963	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M-H+Cl"	33.962126
"535474"	1959.533413	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M-H+Cl"	33.962126
"936277"	664.498513	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-H+Cl"	33.962126
"272281"	2625.039202	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+Cl"	34.969402
"661423"	3920.074102	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+Cl"	34.969402
"1278565"	1330.004302	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Cl"	34.969402
"22217"	2627.018406	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M-2H+K"	36.948606
"461783"	3922.053306	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M-2H+K"	36.948606
"840679"	1331.983506	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-2H+K"	36.948606
"1567450"	1331.983506	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+K-2H"	36.948606
"953147"	1340.033094	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-H+HCOOH"	44.998194
"369173"	2635.068001	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+HCOOH-H"	44.998201
"350142"	2649.083651	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+Hac-H"	59.013851
"1497880"	1354.048751	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Hac-H"	59.013851
"965057"	1362.015051	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-H+NaCOOH"	66.980151
"113970"	1330.004302	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+2Cl"	69.938804
"555720"	1977.521752	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+2Cl"	69.938804
"1025611"	682.486852	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2Cl"	69.938804
"1242275"	1373.953785	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Br"	78.918885
"1304242"	1376.009772	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Cl+HCOOH"	80.974872
"1325135"	1397.991729	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Cl+NaCOOH"	102.956829
"918385"	1408.020486	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M-H+CF3COOH"	112.985586
"1291811"	1443.997164	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Cl+CF3COOH"	148.962264
"1368883"	1260.022224	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H-2H2O"	-35.012676
"1384916"	1278.0322	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H-H2O"	-17.0027
"287159"	2591.077076	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+H"	1.007276
"678121"	3886.111976	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+H"	1.007276
"1354836"	1296.042176	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H"	1.007276
"126628"	1296.042176	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+2H"	2.014552
"568002"	1943.559626	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+2H"	2.014552
"1037779"	648.524726	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2H"	2.014552
"205556"	864.363876	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+3H"	3.021828
"645485"	1296.042176	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+3H"	3.021828
"1163607"	432.685576	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+3H"	3.021828
"425666"	2608.103623	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+NH4"	18.033823
"787390"	3903.138523	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+NH4"	18.033823
"1682631"	1313.068723	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+NH4"	18.033823
"330915"	1304.5554495	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+H+NH4"	19.041099
"724060"	1952.0728995	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+H+NH4"	19.041099
"1477640"	657.0379995	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H+NH4"	19.041099
"395841"	2613.059018	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+Na"	22.989218
"756106"	3908.093918	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+Na"	22.989218
"1603841"	1318.024118	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Na"	22.989218
"316064"	1307.033147	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+H+Na"	23.996494
"710310"	1954.550597	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+H+Na"	23.996494
"1465223"	659.515697	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H+Na"	23.996494
"1056281"	440.01289	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2H+Na"	25.00377
"1261604"	1328.068386	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+CH3OH+H"	33.033486
"379084"	2629.032958	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+K"	38.963158
"740810"	3924.067858	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+K"	38.963158
"1545049"	1333.998058	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+K"	38.963158
"299672"	1315.020117	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+H+K"	39.970434
"695739"	1962.537567	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+H+K"	39.970434
"1448468"	667.502667	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H+K"	39.970434
"238164"	2632.103626	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+ACN+H"	42.033826
"1213059"	1337.068726	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+ACN+H"	42.033826
"1198044"	669.038001	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+ACN+2H"	43.041102
"193466"	2635.04096	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+2Na-H"	44.97116
"629013"	3930.07586	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+2Na-H"	44.97116
"1143461"	1340.00606	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2Na-H"	44.97116
"182742"	1318.024118	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+2Na"	45.978436
"623393"	1965.541568	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+2Na"	45.978436
"1125807"	670.506668	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2Na"	45.978436
"1409330"	447.340204	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H+2Na"	46.985712
"1441446"	1342.047646	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H+HCOOH"	47.012746
"230049"	1323.05714	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+3H2O+2H"	56.04448
"1515924"	1356.09969	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+IsoProp+H"	61.06479
"419985"	1326.011088	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+Na+K"	61.952376
"783534"	1973.528538	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+Na+K"	61.952376
"1676218"	678.493638	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Na+K"	61.952376
"261645"	2654.085568	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+ACN+Na"	64.015768
"1234356"	1359.050668	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+ACN+Na"	64.015768
"1721052"	1359.074193	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+NH4+HCOOH"	64.039293
"1185317"	454.667518	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+3Na"	68.967654
"1658490"	1364.029588	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Na+HCOOH"	68.994688
"168633"	2666.98884	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+2K-H"	76.91904
"607099"	3962.02374	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+2K-H"	76.91904
"1093800"	1371.95394	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2K-H"	76.91904
"152804"	1333.998058	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"2M+2K"	77.926316
"593457"	1981.515508	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"3M+2K"	77.926316
"1080156"	686.480608	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2K"	77.926316
"1104617"	1373.968492	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2K+H"	78.933592
"1336136"	1374.056107	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+DMSO+H"	79.021207
"1006246"	1378.095276	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2ACN+H"	83.060376
"1528757"	1379.088908	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+IsoProp+Na+H"	84.054008
"994110"	689.551276	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+2ACN+2H"	84.067652
"1588612"	1380.003528	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+K+HCOOH"	84.968628
"1427405"	1410.035038	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+H+CF3COOH"	115.000138
"1153319"	710.064551	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+3ACN+2H"	125.094202
"1700681"	1427.061585	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+NH4+CF3COOH"	132.026685
"1648002"	1432.01698	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+Na+CF3COOH"	136.98208
"1582923"	1447.99092	"C04465"	"alphaalpha-Trehalose 66-bismycolate"	"C76H142O15"	"1295.0349"	"M+K+CF3COOH"	152.95602
"803447"	212.0837	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M"	0
"980260"	193.06531	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"69597"	140.381857333333	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"510251"	211.076424	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"888052"	69.6872906666667	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"11003"	211.076424	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"445094"	317.118274	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"827275"	105.034574	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"87264"	423.160124	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"529012"	635.243824	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"904627"	211.076424	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"55722"	440.186671	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"497469"	652.270371	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"871990"	228.102971	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"38798"	445.142066	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"479451"	657.225766	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"858345"	233.058366	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1620225"	233.058366	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"96387"	229.064763	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"536677"	335.106613	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"932013"	123.022913	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"268747"	459.136802	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"662994"	671.220502	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1278676"	247.053102	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"26710"	461.116006	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"467362"	673.199706	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"844801"	249.032306	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1566465"	249.032306	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"951069"	257.081894	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"366003"	469.165601	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"348795"	483.181251	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1496899"	271.097551	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"964074"	279.063851	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"116267"	247.053102	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"550046"	353.094952	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1022070"	141.011252	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1241652"	291.002585	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1305926"	293.058572	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1321238"	315.040529	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"917403"	325.069286	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1290829"	361.045964	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1368623"	177.071024	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1385396"	195.081	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"285081"	425.174676	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"679690"	637.258376	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1358225"	213.090976	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"126292"	213.090976	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"567029"	319.132826	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1037769"	107.049126	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"205794"	142.396409333333	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"645962"	213.090976	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1164697"	71.7018426666667	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"425662"	442.201223	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"787876"	654.284923	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1684575"	230.117523	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"331759"	221.6042495	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"726733"	327.6460995	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1478729"	115.5623995	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"397044"	447.156618	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"754634"	659.240318	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1605408"	235.072918	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"315202"	224.081947	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"708595"	330.123797	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1464968"	118.040097	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1057487"	79.0291566666667	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1257944"	245.117186	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"377487"	463.130558	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"738768"	675.214258	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1541148"	251.046858	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"301241"	232.068917	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"694028"	338.110767	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1447486"	126.027067	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"240459"	466.201226	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1219740"	254.117526	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1205811"	127.562401	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"193212"	469.13856	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"641160"	681.22226	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1144666"	257.05486	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"178479"	235.072918	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"622414"	341.114768	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1125918"	129.031068	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1407254"	86.3564706666667	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1432811"	259.096446	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"230160"	240.10594	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1518225"	273.14849	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"420097"	243.059888	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"778905"	349.101738	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1671957"	137.018038	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"258478"	488.183168	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1233371"	276.099468	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1720070"	276.122993	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1186524"	93.6837846666667	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1658600"	281.078388	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"170564"	501.08644	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"609397"	713.17014	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1095004"	289.00274	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"152912"	251.046858	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"591378"	357.088708	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1076986"	145.005008	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1108007"	291.017292	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1345487"	291.104907	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1010744"	295.144076	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1528868"	296.137708	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"992031"	148.075676	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1594199"	297.052328	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1423140"	327.083838	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1156709"	168.588951	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1710274"	344.110385	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1645195"	349.06578	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1583033"	365.03972	"C04468"	"()-cis-34-Dihydrophenanthrene-34-diol;cis-34-Dihydroxy-34-dihydrophenanthrene"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"806837"	187.1361	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M"	0
"980370"	168.11771	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-H2O-H"	-19.01839
"68613"	123.750124	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M-3H"	-3.021828
"509268"	186.128824	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M-3H"	-3.021828
"889255"	61.371424	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-3H"	-3.021828
"13300"	186.128824	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M-2H"	-2.014552
"444110"	279.696874	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M-2H"	-2.014552
"829572"	92.560774	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-2H"	-2.014552
"90654"	373.264924	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M-H"	-1.007276
"528026"	560.401024	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M-H"	-1.007276
"901456"	186.128824	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-H"	-1.007276
"55831"	390.291471	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M-2H+NH4"	16.019271
"496485"	577.427571	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M-2H+NH4"	16.019271
"869183"	203.155371	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-2H+NH4"	16.019271
"35628"	395.246866	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M-2H+Na"	20.974666
"475914"	582.382966	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M-2H+Na"	20.974666
"855175"	208.110766	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-2H+Na"	20.974666
"1621791"	208.110766	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Na-2H"	20.974666
"97958"	204.117163	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M-H+Cl"	33.962126
"536784"	297.685213	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M-H+Cl"	33.962126
"929935"	110.549113	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-H+Cl"	33.962126
"269952"	409.241602	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+Cl"	34.969402
"664197"	596.377702	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+Cl"	34.969402
"1278787"	222.105502	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Cl"	34.969402
"28642"	411.220806	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M-2H+K"	36.948606
"466379"	598.356906	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M-2H+K"	36.948606
"844182"	224.084706	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-2H+K"	36.948606
"1565482"	224.084706	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+K-2H"	36.948606
"951179"	232.134294	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-H+HCOOH"	44.998194
"365021"	419.270401	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+HCOOH-H"	44.998201
"353278"	433.286051	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+Hac-H"	59.013851
"1498102"	246.149951	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Hac-H"	59.013851
"962725"	254.116251	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-H+NaCOOH"	66.980151
"116377"	222.105502	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+2Cl"	69.938804
"553020"	315.673552	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+2Cl"	69.938804
"1023276"	128.537452	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2Cl"	69.938804
"1242855"	266.054985	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Br"	78.918885
"1307494"	268.110972	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Cl+HCOOH"	80.974872
"1322806"	290.092929	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Cl+NaCOOH"	102.956829
"911507"	300.121686	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M-H+CF3COOH"	112.985586
"1288621"	336.098364	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Cl+CF3COOH"	148.962264
"1367348"	152.123424	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H-2H2O"	-35.012676
"1384413"	170.1334	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H-H2O"	-17.0027
"284826"	375.279476	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+H"	1.007276
"681987"	562.415576	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+H"	1.007276
"1360522"	188.143376	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H"	1.007276
"126850"	188.143376	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+2H"	2.014552
"566775"	281.711426	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+2H"	2.014552
"1037514"	94.575326	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2H"	2.014552
"205538"	125.764676	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+3H"	3.021828
"646316"	188.143376	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+3H"	3.021828
"1165170"	63.385976	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+3H"	3.021828
"425654"	392.306023	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+NH4"	18.033823
"787986"	579.442123	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+NH4"	18.033823
"1684318"	205.169923	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+NH4"	18.033823
"334054"	196.6566495	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+H+NH4"	19.041099
"727571"	290.2246995	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+H+NH4"	19.041099
"1481388"	103.0885995	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H+NH4"	19.041099
"397881"	397.261418	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+Na"	22.989218
"754371"	584.397518	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+Na"	22.989218
"1604424"	210.125318	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Na"	22.989218
"315552"	199.134347	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+H+Na"	23.996494
"709434"	292.702397	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+H+Na"	23.996494
"1463254"	105.566297	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H+Na"	23.996494
"1055044"	70.71329	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2H+Na"	25.00377
"1257686"	220.169586	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+CH3OH+H"	33.033486
"377230"	413.235358	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+K"	38.963158
"738654"	600.371458	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+K"	38.963158
"1540894"	226.099258	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+K"	38.963158
"299159"	207.121317	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+H+K"	39.970434
"691867"	300.689367	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+H+K"	39.970434
"1447232"	113.553267	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H+K"	39.970434
"238019"	416.306026	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+ACN+H"	42.033826
"1220943"	229.169926	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+ACN+H"	42.033826
"1207014"	115.088601	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+ACN+2H"	43.041102
"194416"	419.24336	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+2Na-H"	44.97116
"640541"	606.37946	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+2Na-H"	44.97116
"1144412"	232.10726	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2Na-H"	44.97116
"178589"	210.125318	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+2Na"	45.978436
"623617"	303.693368	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+2Na"	45.978436
"1126028"	116.557268	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2Na"	45.978436
"1407364"	78.040604	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H+2Na"	46.985712
"1432921"	234.148846	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H+HCOOH"	47.012746
"231364"	215.15834	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+3H2O+2H"	56.04448
"1519427"	248.20089	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+IsoProp+H"	61.06479
"420207"	218.112288	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+Na+K"	61.952376
"783390"	311.680338	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+Na+K"	61.952376
"1674253"	124.544238	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Na+K"	61.952376
"262597"	438.287968	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+ACN+Na"	64.015768
"1237855"	251.151868	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+ACN+Na"	64.015768
"1722368"	251.175393	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+NH4+HCOOH"	64.039293
"1185540"	85.367918	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+3Na"	68.967654
"1661991"	256.130788	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Na+HCOOH"	68.994688
"169581"	451.19124	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+2K-H"	76.91904
"610479"	638.32734	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+2K-H"	76.91904
"1095114"	264.05514	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2K-H"	76.91904
"153023"	226.099258	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"2M+2K"	77.926316
"590395"	319.667308	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"3M+2K"	77.926316
"1076000"	132.531208	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2K"	77.926316
"1111397"	266.069692	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2K+H"	78.933592
"1348392"	266.157307	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+DMSO+H"	79.021207
"1009758"	270.196476	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2ACN+H"	83.060376
"1527882"	271.190108	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+IsoProp+Na+H"	84.054008
"990801"	135.601876	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+2ACN+2H"	84.067652
"1599776"	272.104728	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+K+HCOOH"	84.968628
"1424343"	302.136238	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+H+CF3COOH"	115.000138
"1155727"	156.115151	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+3ACN+2H"	125.094202
"1707468"	319.162785	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+NH4+CF3COOH"	132.026685
"1642025"	324.11818	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+Na+CF3COOH"	136.98208
"1576582"	340.09212	"C04469"	"(-)-2-(4-Isobutylphenyl)propionitrile"	"C13H17N"	"187.1361"	"M+K+CF3COOH"	152.95602
"803667"	176.0321	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M"	0
"977198"	157.01371	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"64712"	116.347457333333	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"510471"	175.024824	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"884992"	57.6700906666667	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"5755"	175.024824	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"441305"	263.040874	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"831505"	87.008774	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"89671"	351.056924	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"530323"	527.089024	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"901566"	175.024824	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"57034"	368.083471	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"499875"	544.115571	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"872209"	192.051371	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"43390"	373.038866	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"481858"	549.070966	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"855285"	197.006766	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1622264"	197.006766	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"101345"	193.013163	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"537260"	281.029213	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"931504"	104.997113	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"271885"	387.033602	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"665400"	563.065702	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1284364"	211.001502	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"29481"	389.012806	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"467218"	565.044906	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"844657"	212.980706	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1565592"	212.980706	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"955663"	221.030294	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"369504"	397.062401	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"355575"	411.078051	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1496023"	235.045951	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"964293"	243.012251	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"117580"	211.001502	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"554226"	299.017552	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1024119"	122.985452	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1247343"	254.950985	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1307969"	257.006972	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1322916"	278.988929	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"912151"	289.017686	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1293234"	324.994364	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1370303"	141.019424	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1385617"	159.0294	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"286396"	353.071476	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"678818"	529.103576	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1359540"	177.039376	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"126232"	177.039376	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"566160"	265.055426	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1040062"	89.023326	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"207963"	118.362009333333	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"645699"	177.039376	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1164554"	59.6846426666667	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"425643"	370.098023	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"792837"	546.130123	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1683700"	194.065923	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"333071"	185.5526495	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"726950"	273.5686995	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1481498"	97.5365995	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"396898"	375.053418	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"754279"	551.085518	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1603925"	199.021318	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"316147"	188.030347	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"709178"	276.046397	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1462757"	100.014297	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1056244"	67.0119566666667	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1260471"	209.065586	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"377465"	391.027358	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"738947"	567.059458	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1541003"	214.995258	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"300730"	196.017317	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"693880"	284.033367	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1448070"	108.001267	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"238856"	394.098026	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1221053"	218.065926	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1207124"	109.536601	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"196712"	397.03536	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"641744"	573.06746	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1144158"	221.00326	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"181979"	199.021318	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"623727"	287.037368	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1125045"	111.005268	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1404194"	74.3392706666667	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1436311"	223.044846	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"233661"	204.05434	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1520631"	237.09689	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"420319"	207.008288	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"779127"	295.024338	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1676552"	118.992238	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"262707"	416.079968	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1240398"	240.047868	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1724665"	240.071393	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1188931"	81.6665846666667	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1663196"	245.026788	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"170056"	428.98324	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"609619"	605.01534	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1099239"	252.95114	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"154227"	214.995258	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"593789"	303.011308	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1081580"	126.979208	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1113573"	254.965692	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1350574"	255.053307	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1012054"	259.092476	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1531271"	260.086108	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"992004"	130.049876	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1595512"	261.000728	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1422266"	291.032238	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1156930"	150.563151	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1704298"	308.058785	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1648697"	313.01418	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1583253"	328.98812	"C04471"	"(4S5S)-45-Dihydroxy-26-dioxohexanoate"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"810341"	499.9287	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M"	0
"977313"	480.91031	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H2O-H"	-19.01839
"64460"	332.278524	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-3H"	-3.021828
"516053"	498.921424	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-3H"	-3.021828
"891668"	165.635624	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-3H"	-3.021828
"12432"	498.921424	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H"	-2.014552
"451992"	748.885774	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H"	-2.014552
"830887"	248.957074	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H"	-2.014552
"88690"	998.850124	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H"	-1.007276
"523876"	1498.778824	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H"	-1.007276
"899125"	498.921424	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H"	-1.007276
"53863"	1015.876671	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+NH4"	16.019271
"493422"	1515.805371	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+NH4"	16.019271
"869037"	515.947971	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+NH4"	16.019271
"31832"	1020.832066	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+Na"	20.974666
"471918"	1520.760766	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+Na"	20.974666
"849436"	520.903366	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+Na"	20.974666
"1619822"	520.903366	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na-2H"	20.974666
"95628"	516.909763	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H+Cl"	33.962126
"535425"	766.874113	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H+Cl"	33.962126
"930161"	266.945413	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+Cl"	33.962126
"272006"	1034.826802	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Cl"	34.969402
"666616"	1534.755502	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Cl"	34.969402
"1277196"	534.898102	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl"	34.969402
"24856"	1036.806006	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+K"	36.948606
"465512"	1536.734706	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+K"	36.948606
"837850"	536.877306	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+K"	36.948606
"1558782"	536.877306	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K-2H"	36.948606
"946666"	544.926894	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+HCOOH"	44.998194
"367434"	1044.855601	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+HCOOH-H"	44.998201
"349858"	1058.871251	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Hac-H"	59.013851
"1497602"	558.942551	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Hac-H"	59.013851
"962586"	566.908851	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+NaCOOH"	66.980151
"114410"	534.898102	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Cl"	69.938804
"554704"	784.862452	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Cl"	69.938804
"1032258"	284.933752	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Cl"	69.938804
"1250011"	578.847585	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Br"	78.918885
"1309545"	580.903572	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+HCOOH"	80.974872
"1325947"	602.885529	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+NaCOOH"	102.956829
"914456"	612.914286	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+CF3COOH"	112.985586
"1290434"	648.890964	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+CF3COOH"	148.962264
"1367983"	464.916024	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-2H2O"	-35.012676
"1383169"	482.926	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-H2O"	-17.0027
"284805"	1000.864676	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H"	1.007276
"677839"	1500.793376	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H"	1.007276
"1352360"	500.935976	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H"	1.007276
"127074"	500.935976	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2H"	2.014552
"567368"	750.900326	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2H"	2.014552
"1039815"	250.971626	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H"	2.014552
"205890"	334.293076	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H"	3.021828
"644599"	500.935976	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+3H"	3.021828
"1164306"	167.650176	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3H"	3.021828
"426483"	1017.891223	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+NH4"	18.033823
"786260"	1517.819923	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+NH4"	18.033823
"1686360"	517.962523	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4"	18.033823
"333545"	509.4492495	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+NH4"	19.041099
"728882"	759.4135995	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+NH4"	19.041099
"1477104"	259.4848995	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+NH4"	19.041099
"394087"	1022.846618	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na"	22.989218
"754327"	1522.775318	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na"	22.989218
"1602841"	522.917918	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na"	22.989218
"314312"	511.926947	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+Na"	23.996494
"708069"	761.891297	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+Na"	23.996494
"1461890"	261.962597	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+Na"	23.996494
"1053684"	174.97749	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H+Na"	25.00377
"1257792"	532.962186	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+CH3OH+H"	33.033486
"377336"	1038.820558	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+K"	38.963158
"750006"	1538.749258	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+K"	38.963158
"1550967"	538.891858	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K"	38.963158
"303767"	519.913917	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+K"	39.970434
"702759"	769.878267	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+K"	39.970434
"1457673"	269.949567	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+K"	39.970434
"247367"	1041.891226	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+H"	42.033826
"1224090"	541.962526	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+H"	42.033826
"1207241"	271.484901	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+2H"	43.041102
"199016"	1044.82856	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na-H"	44.97116
"636387"	1544.75726	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na-H"	44.97116
"1136611"	544.89986	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na-H"	44.97116
"176621"	522.917918	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na"	45.978436
"614360"	772.882268	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na"	45.978436
"1120783"	272.953568	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na"	45.978436
"1409776"	182.304804	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+2Na"	46.985712
"1440799"	546.941446	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+HCOOH"	47.012746
"231586"	527.95094	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H2O+2H"	56.04448
"1510171"	560.99349	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+H"	61.06479
"412047"	530.904888	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na+K"	61.952376
"775961"	780.869238	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na+K"	61.952376
"1674479"	280.940538	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+K"	61.952376
"254799"	1063.873168	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+Na"	64.015768
"1231515"	563.944468	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+Na"	64.015768
"1716028"	563.967993	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+HCOOH"	64.039293
"1184664"	189.632118	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3Na"	68.967654
"1662211"	568.923388	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+HCOOH"	68.994688
"169072"	1076.77644	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K-H"	76.91904
"597134"	1576.70514	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K-H"	76.91904
"1088778"	576.84774	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K-H"	76.91904
"145223"	538.891858	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K"	77.926316
"585148"	788.856208	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K"	77.926316
"1078422"	288.927508	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K"	77.926316
"1112726"	578.862292	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K+H"	78.933592
"1343640"	578.949907	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+DMSO+H"	79.021207
"1017642"	582.989076	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+H"	83.060376
"1536860"	583.982708	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+Na+H"	84.054008
"1002587"	291.998176	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+2H"	84.067652
"1596722"	584.897328	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+HCOOH"	84.968628
"1427852"	614.928838	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+CF3COOH"	115.000138
"1155952"	312.511451	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3ACN+2H"	125.094202
"1706597"	631.955385	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+CF3COOH"	132.026685
"1644436"	636.91078	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+CF3COOH"	136.98208
"1573525"	652.88472	"C04477"	"1D-myo-Inositol 1346-tetrakisphosphate;D-myo-Inositol 1346-tetrakisphosphate;Inositol 1346-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+CF3COOH"	152.95602
"810451"	318.0352	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M"	0
"977423"	299.01681	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-H2O-H"	-19.01839
"66758"	211.016190666667	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M-3H"	-3.021828
"515070"	317.027924	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M-3H"	-3.021828
"891779"	105.004457333333	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-3H"	-3.021828
"12542"	317.027924	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M-2H"	-2.014552
"451007"	476.045524	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M-2H"	-2.014552
"827718"	158.010324	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-2H"	-2.014552
"89893"	635.063124	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M-H"	-1.007276
"525078"	953.098324	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M-H"	-1.007276
"903974"	317.027924	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-H"	-1.007276
"53973"	652.089671	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M-2H+NH4"	16.019271
"492440"	970.124871	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M-2H+NH4"	16.019271
"866961"	334.054471	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-2H+NH4"	16.019271
"32668"	657.045066	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M-2H+Na"	20.974666
"473690"	975.080266	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M-2H+Na"	20.974666
"849021"	339.009866	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-2H+Na"	20.974666
"1619567"	339.009866	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Na-2H"	20.974666
"95008"	335.016263	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M-H+Cl"	33.962126
"534932"	494.033863	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M-H+Cl"	33.962126
"928085"	175.998663	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-H+Cl"	33.962126
"277583"	671.039802	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+Cl"	34.969402
"671099"	989.075002	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+Cl"	34.969402
"1279131"	353.004602	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Cl"	34.969402
"24967"	673.019006	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M-2H+K"	36.948606
"462338"	991.054206	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M-2H+K"	36.948606
"840143"	354.983806	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-2H+K"	36.948606
"1561443"	354.983806	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+K-2H"	36.948606
"947872"	363.033394	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-H+HCOOH"	44.998194
"367544"	681.068601	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+HCOOH-H"	44.998201
"347413"	695.084251	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+Hac-H"	59.013851
"1498806"	377.049051	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Hac-H"	59.013851
"961603"	385.015351	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-H+NaCOOH"	66.980151
"113061"	353.004602	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+2Cl"	69.938804
"553356"	512.022202	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+2Cl"	69.938804
"1031639"	193.987002	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2Cl"	69.938804
"1249028"	396.954085	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Br"	78.918885
"1312571"	399.010072	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Cl+HCOOH"	80.974872
"1325693"	420.992029	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Cl+NaCOOH"	102.956829
"913472"	431.020786	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M-H+CF3COOH"	112.985586
"1290544"	466.997464	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Cl+CF3COOH"	148.962264
"1369066"	283.022524	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H-2H2O"	-35.012676
"1385106"	301.0325	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H-H2O"	-17.0027
"284794"	637.077676	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+H"	1.007276
"677949"	955.112876	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+H"	1.007276
"1351984"	319.042476	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H"	1.007276
"126942"	319.042476	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+2H"	2.014552
"566870"	478.060076	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+2H"	2.014552
"1038953"	160.024876	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2H"	2.014552
"205513"	213.030742666667	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+3H"	3.021828
"644833"	319.042476	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+3H"	3.021828
"1164172"	107.019009333333	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+3H"	3.021828
"426593"	654.104223	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+NH4"	18.033823
"788683"	972.139423	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+NH4"	18.033823
"1686108"	336.069023	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+NH4"	18.033823
"334389"	327.5557495	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+H+NH4"	19.041099
"727902"	486.5733495	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+H+NH4"	19.041099
"1480990"	168.5381495	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H+NH4"	19.041099
"397119"	659.059618	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+Na"	22.989218
"754385"	977.094818	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+Na"	22.989218
"1603416"	341.024418	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Na"	22.989218
"314458"	330.033447	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+H+Na"	23.996494
"707371"	489.051047	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+H+Na"	23.996494
"1461595"	171.015847	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H+Na"	23.996494
"1054649"	114.346323333333	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2H+Na"	25.00377
"1257255"	351.068686	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+CH3OH+H"	33.033486
"378908"	675.033558	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+K"	38.963158
"749023"	993.068758	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+K"	38.963158
"1548890"	356.998358	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+K"	38.963158
"302784"	338.020417	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+H+K"	39.970434
"705056"	497.038017	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+H+K"	39.970434
"1459611"	179.002817	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H+K"	39.970434
"249665"	678.104226	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+ACN+H"	42.033826
"1223477"	360.069026	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+ACN+H"	42.033826
"1207352"	180.538151	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+ACN+2H"	43.041102
"202042"	681.04156	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+2Na-H"	44.97116
"638685"	999.07676	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+2Na-H"	44.97116
"1138910"	363.00636	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2Na-H"	44.97116
"175640"	341.024418	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+2Na"	45.978436
"614228"	500.042018	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+2Na"	45.978436
"1120893"	182.006818	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2Na"	45.978436
"1408793"	121.673637333333	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H+2Na"	46.985712
"1442004"	365.047946	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H+HCOOH"	47.012746
"231697"	346.05744	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+3H2O+2H"	56.04448
"1510647"	379.09999	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+IsoProp+H"	61.06479
"411793"	349.011388	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+Na+K"	61.952376
"776071"	508.028988	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+Na+K"	61.952376
"1674589"	189.993788	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Na+K"	61.952376
"255274"	700.086168	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+ACN+Na"	64.015768
"1231627"	382.050968	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+ACN+Na"	64.015768
"1718327"	382.074493	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+NH4+HCOOH"	64.039293
"1185868"	129.000951333333	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+3Na"	68.967654
"1661228"	387.029888	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Na+HCOOH"	68.994688
"168089"	712.98944	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+2K-H"	76.91904
"598901"	1031.02464	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+2K-H"	76.91904
"1087066"	394.95424	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2K-H"	76.91904
"144608"	356.998358	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"2M+2K"	77.926316
"584894"	516.015958	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"3M+2K"	77.926316
"1069770"	197.980758	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2K"	77.926316
"1104081"	396.968792	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2K+H"	78.933592
"1340466"	397.056407	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+DMSO+H"	79.021207
"1013376"	401.095576	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2ACN+H"	83.060376
"1532594"	402.089208	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+IsoProp+Na+H"	84.054008
"1003426"	201.051426	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+2ACN+2H"	84.067652
"1596832"	403.003828	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+K+HCOOH"	84.968628
"1429056"	433.035338	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+H+CF3COOH"	115.000138
"1153875"	221.564701	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+3ACN+2H"	125.094202
"1706707"	450.061885	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+NH4+CF3COOH"	132.026685
"1644546"	455.01728	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+Na+CF3COOH"	136.98208
"1573635"	470.99122	"C04478"	"3-Deoxy-D-manno-octulosonate 8-phosphate;2-Dehydro-3-deoxy-D-octonate 8-phosphate"	"C8H15O11P"	"318.0352"	"M+K+CF3COOH"	152.95602
"816030"	214.0477	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M"	0
"988105"	195.02931	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-H2O-H"	-19.01839
"72337"	141.691190666667	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M-3H"	-3.021828
"515180"	213.040424	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M-3H"	-3.021828
"891889"	70.3419573333333	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-3H"	-3.021828
"12652"	213.040424	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M-2H"	-2.014552
"451117"	320.064274	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M-2H"	-2.014552
"824544"	106.016574	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-2H"	-2.014552
"86723"	427.088124	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M-H"	-1.007276
"521908"	641.135824	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M-H"	-1.007276
"901896"	213.040424	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-H"	-1.007276
"57363"	444.114671	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M-2H+NH4"	16.019271
"494736"	658.162371	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M-2H+NH4"	16.019271
"868164"	230.066971	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-2H+NH4"	16.019271
"32416"	449.070066	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M-2H+Na"	20.974666
"473435"	663.117766	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M-2H+Na"	20.974666
"848967"	235.022366	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-2H+Na"	20.974666
"1620041"	235.022366	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Na-2H"	20.974666
"95847"	231.028763	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M-H+Cl"	33.962126
"534718"	338.052613	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M-H+Cl"	33.962126
"928195"	124.004913	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-H+Cl"	33.962126
"276600"	463.064802	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+Cl"	34.969402
"666836"	677.112502	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+Cl"	34.969402
"1279240"	249.017102	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Cl"	34.969402
"21796"	465.044006	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M-2H+K"	36.948606
"460262"	679.091706	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M-2H+K"	36.948606
"838066"	250.996306	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-2H+K"	36.948606
"1561552"	250.996306	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+K-2H"	36.948606
"947981"	259.045894	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-H+HCOOH"	44.998194
"365103"	473.093601	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+HCOOH-H"	44.998201
"347890"	487.109251	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+Hac-H"	59.013851
"1497823"	273.061551	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Hac-H"	59.013851
"959526"	281.027851	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-H+NaCOOH"	66.980151
"111349"	249.017102	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+2Cl"	69.938804
"553466"	356.040952	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+2Cl"	69.938804
"1030656"	141.993252	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2Cl"	69.938804
"1249138"	292.966585	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Br"	78.918885
"1312681"	295.022572	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Cl+HCOOH"	80.974872
"1325803"	317.004529	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Cl+NaCOOH"	102.956829
"913582"	327.033286	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M-H+CF3COOH"	112.985586
"1291382"	363.009964	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Cl+CF3COOH"	148.962264
"1371365"	179.035024	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H-2H2O"	-35.012676
"1385946"	197.045	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H-H2O"	-17.0027
"284176"	429.102676	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+H"	1.007276
"678424"	643.150376	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+H"	1.007276
"1351853"	215.054976	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H"	1.007276
"127295"	215.054976	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+2H"	2.014552
"566861"	322.078826	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+2H"	2.014552
"1040035"	108.031126	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2H"	2.014552
"205624"	143.705742666667	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+3H"	3.021828
"645673"	215.054976	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+3H"	3.021828
"1164526"	72.3565093333333	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+3H"	3.021828
"426704"	446.129223	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+NH4"	18.033823
"790979"	660.176923	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+NH4"	18.033823
"1689497"	232.081523	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+NH4"	18.033823
"337777"	223.5682495	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+H+NH4"	19.041099
"731291"	330.5920995	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+H+NH4"	19.041099
"1481829"	116.5443995	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H+NH4"	19.041099
"397229"	451.084618	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+Na"	22.989218
"756401"	665.132318	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+Na"	22.989218
"1604136"	237.036918	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Na"	22.989218
"316358"	226.045947	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+H+Na"	23.996494
"709873"	333.069797	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+H+Na"	23.996494
"1463331"	119.022097	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H+Na"	23.996494
"1055851"	79.6838233333333	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2H+Na"	25.00377
"1258135"	247.081186	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+CH3OH+H"	33.033486
"378654"	467.058558	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+K"	38.963158
"750226"	681.106258	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+K"	38.963158
"1547907"	253.010858	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+K"	38.963158
"301070"	234.032917	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+H+K"	39.970434
"706589"	341.056767	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+H+K"	39.970434
"1460448"	127.009067	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H+K"	39.970434
"250141"	470.129226	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+ACN+H"	42.033826
"1224675"	256.081526	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+ACN+H"	42.033826
"1208192"	128.544401	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+ACN+2H"	43.041102
"200695"	473.06656	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+2Na-H"	44.97116
"638795"	687.11426	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+2Na-H"	44.97116
"1137926"	259.01886	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2Na-H"	44.97116
"179027"	237.036918	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+2Na"	45.978436
"620777"	344.060768	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+2Na"	45.978436
"1121003"	130.013068	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2Na"	45.978436
"1402339"	87.0111373333333	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H+2Na"	46.985712
"1441020"	261.060446	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H+HCOOH"	47.012746
"229619"	242.06994	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+3H2O+2H"	56.04448
"1510027"	275.11249	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+IsoProp+H"	61.06479
"411899"	245.023888	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+Na+K"	61.952376
"775088"	352.047738	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+Na+K"	61.952376
"1673606"	138.000038	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Na+K"	61.952376
"254656"	492.111168	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+ACN+Na"	64.015768
"1229915"	278.063468	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+ACN+Na"	64.015768
"1718802"	278.086993	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+NH4+HCOOH"	64.039293
"1184156"	94.3384513333333	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+3Na"	68.967654
"1659515"	283.042388	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Na+HCOOH"	68.994688
"168200"	505.01444	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+2K-H"	76.91904
"609945"	719.06214	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+2K-H"	76.91904
"1084982"	290.96674	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2K-H"	76.91904
"145082"	253.010858	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"2M+2K"	77.926316
"584275"	360.034708	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"3M+2K"	77.926316
"1069880"	145.987008	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2K"	77.926316
"1105284"	292.981292	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2K+H"	78.933592
"1339482"	293.068907	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+DMSO+H"	79.021207
"1014579"	297.108076	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2ACN+H"	83.060376
"1537080"	298.101708	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+IsoProp+Na+H"	84.054008
"1003172"	149.057676	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+2ACN+2H"	84.067652
"1598036"	299.016328	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+K+HCOOH"	84.968628
"1429166"	329.047838	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+H+CF3COOH"	115.000138
"1152891"	169.570951	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+3ACN+2H"	125.094202
"1706817"	346.074385	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+NH4+CF3COOH"	132.026685
"1642468"	351.02978	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+Na+CF3COOH"	136.98208
"1573745"	367.00372	"C04479"	"2-Hydroxy-6-oxonona-24-diene-19-dioate;(2Z4E)-2-Hydroxy-6-oxonona-24-diene-19-dioate"	"C9H10O6"	"214.0477"	"M+K+CF3COOH"	152.95602
"810671"	186.0164	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M"	0
"980924"	166.99801	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"73540"	123.003657333333	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"515290"	185.009124	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"891999"	60.9981906666667	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"11669"	185.009124	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"452321"	278.017324	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"826841"	92.000924	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"90113"	371.025524	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"524206"	557.041924	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"902007"	185.009124	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"59660"	388.052071	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"500802"	574.068471	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"871555"	202.035671	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"34714"	393.007466	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"475370"	579.023866	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"850619"	206.991066	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1620883"	206.991066	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"95229"	202.997463	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"535880"	296.005663	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"929399"	109.989263	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"276710"	407.002202	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"670226"	593.018602	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1278257"	220.985802	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"18625"	408.981406	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"462560"	594.997806	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"840363"	222.965006	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1560569"	222.965006	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"946997"	231.014594	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"365212"	417.031001	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"351281"	431.046651	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1493910"	245.030251	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"959272"	252.996551	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"111095"	220.985802	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"551386"	313.994002	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1028576"	127.977602	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1246332"	264.935285	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1307686"	266.991272	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1321899"	288.973229	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"913692"	299.001986	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1290762"	334.978664	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1367827"	151.003724	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1383135"	169.0137	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"284403"	373.040076	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"679262"	559.056476	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1352205"	187.023676	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"127406"	187.023676	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"567335"	280.031876	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1039052"	94.015476	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"208043"	125.018209333333	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"646511"	187.023676	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1165729"	63.0127426666667	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"426449"	390.066623	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"792183"	576.083023	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1685237"	204.050223	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"333515"	195.5369495	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"725936"	288.5451495	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1483037"	102.5287495	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"397342"	395.022018	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"761617"	581.038418	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1611903"	209.005618	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"319750"	198.014647	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"709983"	291.022847	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1463078"	105.006447	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1053649"	70.3400566666667	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1259092"	219.049886	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"379858"	410.995958	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"747056"	597.012358	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1545830"	224.979558	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"304098"	206.001617	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"703088"	299.009817	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1456910"	112.993417	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"249522"	414.066626	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1221868"	228.050226	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1203196"	114.528751	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"198253"	417.00396	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"633438"	603.02036	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1140223"	230.98756	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"176952"	209.005618	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"613189"	302.013818	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1116252"	115.997418	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1399654"	77.6673706666667	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1440036"	233.029146	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"227542"	214.03864	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1510502"	247.08119	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"410550"	216.992588	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"775198"	310.000788	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1667883"	123.984388	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"254402"	436.048568	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1229659"	250.032168	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1719639"	250.055693	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1187182"	84.9946846666667	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1658166"	255.011088	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"163934"	448.95184	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"606777"	634.96824	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1085207"	262.93544	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"145193"	224.979558	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"584021"	317.987758	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1069379"	131.971358	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1102478"	264.949992	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1338498"	265.037607	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1015782"	269.076776	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1535003"	270.070408	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"1001456"	135.042026	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1595959"	270.985028	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1423805"	301.016538	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1156280"	155.555301	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1706927"	318.043085	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1642578"	322.99848	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1573855"	338.97242	"C04480"	"3-Carboxy-2-hydroxymuconate semialdehyde"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"805314"	392.2927	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M"	0
"977023"	373.27431	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"76203"	260.521190666667	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"518236"	391.285424	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"894295"	129.756957333333	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"13966"	391.285424	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"451339"	587.431774	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"829869"	195.139074	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"90223"	783.578124	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"528689"	1175.870824	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"905397"	391.285424	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"55397"	800.604671	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"491676"	1192.897371	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"868388"	408.311971	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"35555"	805.560066	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"474387"	1197.852766	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"851097"	413.267366	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1623187"	413.267366	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"96794"	409.273763	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"535142"	605.420113	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"932797"	213.127413	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"272449"	819.554802	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"665604"	1211.847502	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1279462"	427.262102	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"20922"	821.534006	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"461577"	1213.826706	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"837558"	429.241306	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1557766"	429.241306	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"948567"	437.290894	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"365688"	829.583601	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"349936"	843.599251	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1497677"	451.306551	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"964489"	459.272851	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"114127"	427.262102	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"553691"	623.408452	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1024675"	231.115752	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1244985"	471.211585	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1306338"	473.267572	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1323107"	495.249529	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"913801"	505.278286	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1288925"	541.254964	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1367287"	357.280024	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1384709"	375.29	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"287679"	785.592676	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"680101"	1177.885376	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1353538"	393.299976	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"131895"	393.299976	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"569268"	589.446326	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1042441"	197.153626	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"205966"	262.535742666667	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"645527"	393.299976	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1168026"	131.771509333333	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"426924"	802.619223	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"793387"	1194.911923	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1686438"	410.326523	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"337996"	401.8132495	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"728232"	597.9595995	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1487519"	205.6668995	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"401826"	807.574618	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"763915"	1199.867318	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1607638"	415.281918	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"317672"	404.290947	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"711188"	600.437297	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1463921"	208.144597	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1059354"	139.098823333333	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1261031"	425.326186	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"386173"	823.548558	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"747170"	1215.841258	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1549221"	431.255858	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"311872"	412.277917	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"704291"	608.424267	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1460298"	216.131567	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"249269"	826.619226	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1221978"	434.326526	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1206586"	217.666901	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"201642"	829.55656	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"633546"	1221.84926	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1138147"	437.26386	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"181436"	415.281918	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"613745"	611.428268	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1117944"	219.135568	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1405481"	146.426137333333	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1434679"	439.305446	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"221212"	420.31494	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1508867"	453.35749	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"412493"	423.268888	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"775310"	619.415238	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1667631"	227.122538	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"252688"	848.601168	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1225675"	456.308468	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1713469"	456.331993	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1180002"	153.753451333333	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1650295"	461.287388	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"158941"	861.50444	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"597529"	1253.79714	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1086297"	469.21174	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"144937"	431.255858	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"583772"	627.402208	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1074485"	235.109508	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1107695"	471.226292	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1338608"	471.313907	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1011519"	475.353076	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1531836"	476.346708	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"1001566"	238.180176	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1592788"	477.261328	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1420633"	507.292838	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1154208"	258.693451	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1704852"	524.319385	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1639409"	529.27478	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1583808"	545.24872	"C04483"	"Deoxycholic acid;Deoxycholate;3alpha12alpha-Dihydroxy-5beta-cholanate;3alpha12alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"815267"	186.0164	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M"	0
"988071"	166.99801	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"78137"	123.003657333333	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"515510"	185.009124	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"895604"	60.9981906666667	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"15706"	185.009124	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"454365"	278.017324	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"829615"	92.000924	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"90333"	371.025524	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"524427"	557.041924	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"905507"	185.009124	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"58787"	388.052071	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"489966"	574.068471	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"866312"	202.035671	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"35666"	393.007466	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"472798"	579.023866	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"851571"	206.991066	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1623297"	206.991066	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"96544"	202.997463	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"535131"	296.005663	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"934001"	109.989263	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"272559"	407.002202	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"668628"	593.018602	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1278479"	220.985802	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"23220"	408.981406	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"459500"	594.997806	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"839490"	222.965006	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1561156"	222.965006	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"951960"	231.014594	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"367620"	417.031001	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"351507"	431.046651	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1498518"	245.030251	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"964602"	252.996551	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"117157"	220.985802	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"558906"	313.994002	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1032079"	127.977602	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1251660"	264.935285	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1310825"	266.991272	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1330509"	288.973229	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"920475"	299.001986	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1290258"	334.978664	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1369146"	151.003724	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1385188"	169.0137	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"285968"	373.040076	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"680577"	559.056476	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1356928"	187.023676	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"134193"	187.023676	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"572659"	280.031876	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1041460"	94.015476	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"207171"	125.018209333333	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"648918"	187.023676	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1171417"	63.0127426666667	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"432504"	390.066623	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"792404"	576.083023	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1687643"	204.050223	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"335922"	195.5369495	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"730530"	288.5451495	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1485443"	102.5287495	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"400844"	395.022018	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"761840"	581.038418	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1616865"	209.005618	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"317782"	198.014647	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"713489"	291.022847	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1468406"	105.006447	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1060557"	70.3400566666667	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1265516"	219.049886	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"385190"	410.995958	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"750562"	597.012358	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1549331"	224.979558	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"311619"	206.001617	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"704401"	299.009817	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1458222"	112.993417	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"250111"	414.066626	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1224274"	228.050226	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1207063"	114.528751	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"200296"	417.00396	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"636938"	603.02036	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1136070"	230.98756	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"180452"	209.005618	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"613572"	302.013818	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1117567"	115.997418	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1406684"	77.6673706666667	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1434060"	233.029146	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"221685"	214.03864	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1509019"	247.08119	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"418798"	216.992588	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"780522"	310.000788	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1672843"	123.984388	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"252435"	436.048568	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1225867"	250.032168	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1713418"	250.055693	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1180112"	84.9946846666667	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1650242"	255.011088	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"158323"	448.95184	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"597558"	634.96824	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1085794"	262.93544	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"142857"	224.979558	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"583148"	317.987758	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1073502"	131.971358	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1102701"	264.949992	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1339082"	265.037607	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1014911"	269.076776	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1535231"	270.070408	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"1002772"	135.042026	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1598367"	270.985028	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1425120"	301.016538	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1161241"	155.555301	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1704961"	318.043085	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1642799"	322.99848	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1583918"	338.97242	"C04484"	"4-Carboxy-2-hydroxymuconate semialdehyde;4-Carboxy-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"811002"	276.0279	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M"	0
"981254"	257.00951	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-H2O-H"	-19.01839
"74965"	183.011324	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M-3H"	-3.021828
"511244"	275.020624	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M-3H"	-3.021828
"889046"	91.002024	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-3H"	-3.021828
"12727"	275.020624	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M-2H"	-2.014552
"454475"	413.034574	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M-2H"	-2.014552
"827174"	137.006674	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-2H"	-2.014552
"89350"	551.048524	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M-H"	-1.007276
"524537"	827.076424	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M-H"	-1.007276
"905617"	275.020624	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-H"	-1.007276
"54524"	568.075071	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M-2H+NH4"	16.019271
"491899"	844.102971	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M-2H+NH4"	16.019271
"865691"	292.047171	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-2H+NH4"	16.019271
"33587"	573.030466	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M-2H+Na"	20.974666
"472180"	849.058366	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M-2H+Na"	20.974666
"850953"	297.002566	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-2H+Na"	20.974666
"1623407"	297.002566	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Na-2H"	20.974666
"96654"	293.008963	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M-H+Cl"	33.962126
"540589"	431.022913	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M-H+Cl"	33.962126
"934112"	154.995013	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-H+Cl"	33.962126
"271940"	587.025202	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+Cl"	34.969402
"668374"	863.053102	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+Cl"	34.969402
"1278589"	310.997302	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Cl"	34.969402
"21143"	589.004406	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M-2H+K"	36.948606
"458517"	865.032306	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M-2H+K"	36.948606
"836319"	312.976506	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-2H+K"	36.948606
"1560173"	312.976506	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+K-2H"	36.948606
"954256"	321.026094	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-H+HCOOH"	44.998194
"368095"	597.054001	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+HCOOH-H"	44.998201
"350889"	611.069651	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+Hac-H"	59.013851
"1497536"	335.041751	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Hac-H"	59.013851
"963984"	343.008051	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-H+NaCOOH"	66.980151
"116174"	310.997302	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+2Cl"	69.938804
"555738"	449.011252	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+2Cl"	69.938804
"1030003"	172.983352	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2Cl"	69.938804
"1251772"	354.946785	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Br"	78.918885
"1314948"	357.002772	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Cl+HCOOH"	80.974872
"1329526"	378.984729	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Cl+NaCOOH"	102.956829
"911835"	389.013486	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M-H+CF3COOH"	112.985586
"1291826"	424.990164	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Cl+CF3COOH"	148.962264
"1367390"	241.015224	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H-2H2O"	-35.012676
"1383056"	259.0252	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H-H2O"	-17.0027
"283116"	553.063076	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+H"	1.007276
"677404"	829.090976	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+H"	1.007276
"1353758"	277.035176	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H"	1.007276
"133210"	277.035176	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+2H"	2.014552
"570582"	415.049126	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+2H"	2.014552
"1039380"	139.021226	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2H"	2.014552
"207280"	185.025876	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+3H"	3.021828
"644895"	277.035176	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+3H"	3.021828
"1168246"	93.016576	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+3H"	3.021828
"429334"	570.089623	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+NH4"	18.033823
"792515"	846.117523	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+NH4"	18.033823
"1687754"	294.061723	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+NH4"	18.033823
"337124"	285.5484495	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+H+NH4"	19.041099
"729547"	423.5623995	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+H+NH4"	19.041099
"1483366"	147.5344995	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H+NH4"	19.041099
"400954"	575.045018	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+Na"	22.989218
"764136"	851.072918	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+Na"	22.989218
"1612234"	299.017118	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Na"	22.989218
"314854"	288.026147	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+H+Na"	23.996494
"709343"	426.040097	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+H+Na"	23.996494
"1466329"	150.012197	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H+Na"	23.996494
"1058479"	100.34389	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2H+Na"	25.00377
"1265627"	309.061386	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+CH3OH+H"	33.033486
"382020"	591.018958	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+K"	38.963158
"750672"	867.046858	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+K"	38.963158
"1548347"	314.991058	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+K"	38.963158
"312093"	296.013117	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+H+K"	39.970434
"701232"	434.027067	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+H+K"	39.970434
"1457239"	157.999167	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H+K"	39.970434
"248759"	594.089626	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+ACN+H"	42.033826
"1221832"	318.061726	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+ACN+H"	42.033826
"1204621"	159.534501	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+ACN+2H"	43.041102
"198584"	597.02696	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+2Na-H"	44.97116
"637048"	873.05486	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+2Na-H"	44.97116
"1138367"	320.99906	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2Na-H"	44.97116
"180563"	299.017118	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+2Na"	45.978436
"615872"	437.031068	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+2Na"	45.978436
"1119255"	161.003168	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2Na"	45.978436
"1405701"	107.671204	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H+2Na"	46.985712
"1434170"	323.040646	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H+HCOOH"	47.012746
"220460"	304.05014	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+3H2O+2H"	56.04448
"1508839"	337.09269	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+IsoProp+H"	61.06479
"420002"	307.004088	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+Na+K"	61.952376
"779903"	445.018038	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+Na+K"	61.952376
"1674046"	168.990138	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Na+K"	61.952376
"252910"	616.071568	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+ACN+Na"	64.015768
"1225937"	340.043668	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+ACN+Na"	64.015768
"1714260"	340.067193	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+NH4+HCOOH"	64.039293
"1180587"	114.998518	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+3Na"	68.967654
"1650235"	345.022588	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Na+HCOOH"	68.994688
"160256"	628.97484	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+2K-H"	76.91904
"597587"	905.00274	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+2K-H"	76.91904
"1085784"	352.94694	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2K-H"	76.91904
"142239"	314.991058	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"2M+2K"	77.926316
"581803"	453.005008	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"3M+2K"	77.926316
"1072519"	176.977108	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2K"	77.926316
"1102811"	354.961492	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2K+H"	78.933592
"1337733"	355.049107	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+DMSO+H"	79.021207
"1015021"	359.088276	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2ACN+H"	83.060376
"1534241"	360.081908	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+IsoProp+Na+H"	84.054008
"999601"	180.047776	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+2ACN+2H"	84.067652
"1600299"	360.996528	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+K+HCOOH"	84.968628
"1426322"	391.028038	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+H+CF3COOH"	115.000138
"1161959"	200.561051	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+3ACN+2H"	125.094202
"1705071"	408.054585	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+NH4+CF3COOH"	132.026685
"1642909"	413.00998	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+Na+CF3COOH"	136.98208
"1584028"	428.98392	"C04485"	"5-(4-Acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O2S2"	"276.0279"	"M+K+CF3COOH"	152.95602
"811112"	234.0173	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M"	0
"981364"	214.99891	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-H2O-H"	-19.01839
"75075"	155.004257333333	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M-3H"	-3.021828
"511354"	233.010024	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M-3H"	-3.021828
"893166"	76.9984906666667	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-3H"	-3.021828
"12472"	233.010024	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M-2H"	-2.014552
"451668"	350.018674	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M-2H"	-2.014552
"827648"	116.001374	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-2H"	-2.014552
"86180"	467.027324	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M-H"	-1.007276
"526834"	701.044624	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M-H"	-1.007276
"907915"	233.010024	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-H"	-1.007276
"54634"	484.053871	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M-2H+NH4"	16.019271
"492009"	718.071171	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M-2H+NH4"	16.019271
"865438"	250.036571	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-2H+NH4"	16.019271
"32970"	489.009266	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M-2H+Na"	20.974666
"472900"	723.026566	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M-2H+Na"	20.974666
"850699"	254.991966	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-2H+Na"	20.974666
"1626797"	254.991966	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Na-2H"	20.974666
"96764"	250.998363	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M-H+Cl"	33.962126
"540699"	368.007013	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M-H+Cl"	33.962126
"935316"	133.989713	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-H+Cl"	33.962126
"275696"	503.004002	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+Cl"	34.969402
"666297"	737.021302	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+Cl"	34.969402
"1275783"	268.986702	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Cl"	34.969402
"22349"	504.983206	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M-2H+K"	36.948606
"459721"	739.000506	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M-2H+K"	36.948606
"838616"	270.965906	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-2H+K"	36.948606
"1558826"	270.965906	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+K-2H"	36.948606
"953273"	279.015494	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-H+HCOOH"	44.998194
"367112"	513.032801	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+HCOOH-H"	44.998201
"348445"	527.048451	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+Hac-H"	59.013851
"1494366"	293.031151	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Hac-H"	59.013851
"964094"	300.997451	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-H+NaCOOH"	66.980151
"117377"	268.986702	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+2Cl"	69.938804
"558035"	385.995352	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+2Cl"	69.938804
"1027926"	151.978052	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2Cl"	69.938804
"1252975"	312.936185	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Br"	78.918885
"1317610"	314.992172	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Cl+HCOOH"	80.974872
"1331823"	336.974129	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Cl+NaCOOH"	102.956829
"916322"	347.002886	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M-H+CF3COOH"	112.985586
"1297403"	382.979564	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Cl+CF3COOH"	148.962264
"1367910"	199.004624	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H-2H2O"	-35.012676
"1383585"	217.0146	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H-H2O"	-17.0027
"285457"	469.041876	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+H"	1.007276
"675763"	703.059176	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+H"	1.007276
"1354961"	235.024576	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H"	1.007276
"132226"	235.024576	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+2H"	2.014552
"570691"	352.033226	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+2H"	2.014552
"1039490"	118.015926	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2H"	2.014552
"204588"	157.018809333333	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+3H"	3.021828
"649138"	235.024576	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+3H"	3.021828
"1167265"	79.0130426666667	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+3H"	3.021828
"429445"	486.068423	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+NH4"	18.033823
"791532"	720.085723	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+NH4"	18.033823
"1690050"	252.051123	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+NH4"	18.033823
"335047"	243.5378495	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+H+NH4"	19.041099
"728564"	360.5464995	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+H+NH4"	19.041099
"1483476"	126.5291995	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H+NH4"	19.041099
"401063"	491.023818	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+Na"	22.989218
"764245"	725.041118	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+Na"	22.989218
"1614530"	257.006518	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Na"	22.989218
"314714"	246.015547	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+H+Na"	23.996494
"710425"	363.024197	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+H+Na"	23.996494
"1465340"	129.006897	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H+Na"	23.996494
"1056400"	86.3403566666667	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2H+Na"	25.00377
"1263547"	267.050786	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+CH3OH+H"	33.033486
"383223"	506.997758	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+K"	38.963158
"746403"	741.015058	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+K"	38.963158
"1549550"	272.980458	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+K"	38.963158
"312203"	254.002517	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+H+K"	39.970434
"701341"	371.011167	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+H+K"	39.970434
"1457349"	136.993867	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H+K"	39.970434
"248865"	510.068426	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+ACN+H"	42.033826
"1222304"	276.051126	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+ACN+H"	42.033826
"1200353"	138.529201	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+ACN+2H"	43.041102
"199421"	513.00576	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+2Na-H"	44.97116
"636064"	747.02306	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+2Na-H"	44.97116
"1134224"	278.98846	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2Na-H"	44.97116
"179578"	257.006518	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+2Na"	45.978436
"613793"	374.015168	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+2Na"	45.978436
"1119365"	139.997868	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2Na"	45.978436
"1406176"	93.6676706666667	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H+2Na"	46.985712
"1433916"	281.030046	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H+HCOOH"	47.012746
"221666"	262.03954	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+3H2O+2H"	56.04448
"1508508"	295.08209	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+IsoProp+H"	61.06479
"415737"	264.993488	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+Na+K"	61.952376
"779649"	382.002138	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+Na+K"	61.952376
"1670876"	147.984838	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Na+K"	61.952376
"251967"	532.050368	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+ACN+Na"	64.015768
"1226004"	298.033068	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+ACN+Na"	64.015768
"1713520"	298.056593	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+NH4+HCOOH"	64.039293
"1181789"	100.994984666667	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+3Na"	68.967654
"1650952"	303.011988	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Na+HCOOH"	68.994688
"158544"	544.95364	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+2K-H"	76.91904
"597292"	778.97094	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+2K-H"	76.91904
"1084277"	310.93634	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2K-H"	76.91904
"141861"	272.980458	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"2M+2K"	77.926316
"581789"	389.989108	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"3M+2K"	77.926316
"1070443"	155.971808	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2K"	77.926316
"1102921"	312.950892	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2K+H"	78.933592
"1337843"	313.038507	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+DMSO+H"	79.021207
"1015129"	317.077676	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2ACN+H"	83.060376
"1536538"	318.071308	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+IsoProp+Na+H"	84.054008
"1001898"	159.042476	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+2ACN+2H"	84.067652
"1599680"	318.985928	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+K+HCOOH"	84.968628
"1425338"	349.017438	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+H+CF3COOH"	115.000138
"1162638"	179.555751	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+3ACN+2H"	125.094202
"1701901"	366.043985	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+NH4+CF3COOH"	132.026685
"1639739"	370.99938	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+Na+CF3COOH"	136.98208
"1584138"	386.97332	"C04486"	"5-(4-Hydroxybut-1-ynyl)-22-bithiophene;3-Butyn-1-ol 4-(5-(2-thienyl)-2-thienyl)-"	"C12H10OS2"	"234.0173"	"M+K+CF3COOH"	152.95602
"807942"	790.2786	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M"	0
"988405"	771.26021	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-H2O-H"	-19.01839
"77373"	525.845124	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M-3H"	-3.021828
"511464"	789.271324	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M-3H"	-3.021828
"892549"	262.418924	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-3H"	-3.021828
"14405"	789.271324	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M-2H"	-2.014552
"452143"	1184.410624	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M-2H"	-2.014552
"827391"	394.132024	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-2H"	-2.014552
"87383"	1579.549924	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M-H"	-1.007276
"524757"	2369.828524	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M-H"	-1.007276
"900371"	789.271324	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-H"	-1.007276
"51465"	1596.576471	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M-2H+NH4"	16.019271
"492122"	2386.855071	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M-2H+NH4"	16.019271
"868829"	806.297871	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-2H+NH4"	16.019271
"42929"	1601.531866	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M-2H+Na"	20.974666
"478479"	2391.810466	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M-2H+Na"	20.974666
"850811"	811.253266	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-2H+Na"	20.974666
"1632014"	811.253266	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Na-2H"	20.974666
"106717"	807.259663	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M-H+Cl"	33.962126
"543007"	1202.398963	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M-H+Cl"	33.962126
"933240"	412.120363	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-H+Cl"	33.962126
"270703"	1615.526602	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+Cl"	34.969402
"660693"	2405.805202	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+Cl"	34.969402
"1274798"	825.248002	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Cl"	34.969402
"16744"	1617.505806	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M-2H+K"	36.948606
"463115"	2407.784406	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M-2H+K"	36.948606
"834719"	827.227206	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-2H+K"	36.948606
"1564406"	827.227206	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+K-2H"	36.948606
"956301"	835.276794	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-H+HCOOH"	44.998194
"368321"	1625.555401	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+HCOOH-H"	44.998201
"354395"	1639.571051	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+Hac-H"	59.013851
"1497757"	849.292451	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Hac-H"	59.013851
"966396"	857.258751	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-H+NaCOOH"	66.980151
"116397"	825.248002	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+2Cl"	69.938804
"560334"	1220.387302	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+2Cl"	69.938804
"1025853"	430.108702	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2Cl"	69.938804
"1243243"	869.197485	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Br"	78.918885
"1307150"	871.253472	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Cl+HCOOH"	80.974872
"1323553"	893.235429	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Cl+NaCOOH"	102.956829
"918619"	903.264186	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M-H+CF3COOH"	112.985586
"1290226"	939.240864	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Cl+CF3COOH"	148.962264
"1372394"	755.265924	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H-2H2O"	-35.012676
"1388797"	773.2759	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H-H2O"	-17.0027
"284477"	1581.564476	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+H"	1.007276
"683096"	2371.843076	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+H"	1.007276
"1353614"	791.285876	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H"	1.007276
"130151"	791.285876	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+2H"	2.014552
"568614"	1186.425176	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+2H"	2.014552
"1038262"	396.146576	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2H"	2.014552
"206407"	527.859676	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+3H"	3.021828
"651435"	791.285876	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+3H"	3.021828
"1170654"	264.433476	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+3H"	3.021828
"429553"	1598.591023	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+NH4"	18.033823
"791643"	2388.869623	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+NH4"	18.033823
"1690160"	808.312423	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+NH4"	18.033823
"339532"	799.7991495	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+H+NH4"	19.041099
"733046"	1194.9384495	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+H+NH4"	19.041099
"1487961"	404.6598495	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H+NH4"	19.041099
"400080"	1603.546418	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+Na"	22.989218
"763263"	2393.825018	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+Na"	22.989218
"1604797"	813.267818	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Na"	22.989218
"322489"	802.276847	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+H+Na"	23.996494
"714911"	1197.416147	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+H+Na"	23.996494
"1466550"	407.137547	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H+Na"	23.996494
"1059796"	271.76079	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2H+Na"	25.00377
"1265855"	823.312086	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+CH3OH+H"	33.033486
"382240"	1619.520358	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+K"	38.963158
"746518"	2409.798958	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+K"	38.963158
"1549671"	829.241758	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+K"	38.963158
"309031"	810.263817	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+H+K"	39.970434
"702548"	1205.403117	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+H+K"	39.970434
"1455271"	415.124517	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H+K"	39.970434
"244965"	1622.591026	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+ACN+H"	42.033826
"1222417"	832.312426	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+ACN+H"	42.033826
"1203747"	416.659851	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+ACN+2H"	43.041102
"199533"	1625.52836	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+2Na-H"	44.97116
"635085"	2415.80696	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+2Na-H"	44.97116
"1139681"	835.24976	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2Na-H"	44.97116
"180785"	813.267818	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+2Na"	45.978436
"622533"	1208.407118	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+2Na"	45.978436
"1123125"	418.128518	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2Na"	45.978436
"1408473"	279.088104	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H+2Na"	46.985712
"1437306"	837.291346	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H+HCOOH"	47.012746
"230283"	818.30084	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+3H2O+2H"	56.04448
"1519442"	851.34339	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+IsoProp+H"	61.06479
"416941"	821.254788	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+Na+K"	61.952376
"774656"	1216.394088	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+Na+K"	61.952376
"1675360"	426.115488	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Na+K"	61.952376
"262973"	1644.572968	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+ACN+Na"	64.015768
"1232402"	854.294368	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+ACN+Na"	64.015768
"1721286"	854.317893	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+NH4+HCOOH"	64.039293
"1183360"	286.415418	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+3Na"	68.967654
"1652160"	859.273288	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Na+HCOOH"	68.994688
"160112"	1657.47624	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+2K-H"	76.91904
"598581"	2447.75484	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+2K-H"	76.91904
"1086370"	867.19764	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2K-H"	76.91904
"143923"	829.241758	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"2M+2K"	77.926316
"583481"	1224.381058	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"3M+2K"	77.926316
"1070546"	434.102458	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2K"	77.926316
"1101935"	869.212192	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2K+H"	78.933592
"1344525"	869.299807	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+DMSO+H"	79.021207
"1014154"	873.338976	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2ACN+H"	83.060376
"1532277"	874.332608	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+IsoProp+Na+H"	84.054008
"999820"	437.173126	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+2ACN+2H"	84.067652
"1595415"	875.247228	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+K+HCOOH"	84.968628
"1421074"	905.278738	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+H+CF3COOH"	115.000138
"1149545"	457.686401	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+3ACN+2H"	125.094202
"1706386"	922.305285	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+NH4+CF3COOH"	132.026685
"1646412"	927.26068	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+Na+CF3COOH"	136.98208
"1584249"	943.23462	"C04488"	"5-Methyl-5678-tetrahydromethanopterin;5-Methyltetrahydromethanopterin;5-Methyl-H4MPT;5-Methyl-THMPT"	"C31H47N6O16P"	"790.2786"	"M+K+CF3COOH"	152.95602
"804772"	717.2718	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M"	0
"988878"	698.25341	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-H2O-H"	-19.01839
"75296"	477.173924	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M-3H"	-3.021828
"508294"	716.264524	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M-3H"	-3.021828
"882815"	238.083324	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-3H"	-3.021828
"3577"	716.264524	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M-2H"	-2.014552
"450792"	1074.900424	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M-2H"	-2.014552
"822033"	357.628624	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-2H"	-2.014552
"87492"	1433.536324	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M-H"	-1.007276
"521586"	2150.808124	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M-H"	-1.007276
"901573"	716.264524	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-H"	-1.007276
"50482"	1450.562871	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M-2H+NH4"	16.019271
"491139"	2167.834671	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M-2H+NH4"	16.019271
"867846"	733.291071	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-2H+NH4"	16.019271
"41217"	1455.518266	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M-2H+Na"	20.974666
"477496"	2172.790066	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M-2H+Na"	20.974666
"852014"	738.246466	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-2H+Na"	20.974666
"1632366"	738.246466	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Na-2H"	20.974666
"109014"	734.252863	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M-H+Cl"	33.962126
"544210"	1092.888763	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M-H+Cl"	33.962126
"933350"	375.616963	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-H+Cl"	33.962126
"270085"	1469.513002	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+Cl"	34.969402
"661776"	2186.784802	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+Cl"	34.969402
"1274908"	752.241202	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Cl"	34.969402
"15996"	1471.492206	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M-2H+K"	36.948606
"461038"	2188.764006	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M-2H+K"	36.948606
"835558"	754.220406	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-2H+K"	36.948606
"1565609"	754.220406	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+K-2H"	36.948606
"954224"	762.269994	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-H+HCOOH"	44.998194
"368431"	1479.541801	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+HCOOH-H"	44.998201
"352318"	1493.557451	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+Hac-H"	59.013851
"1500056"	776.285651	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Hac-H"	59.013851
"968329"	784.251951	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-H+NaCOOH"	66.980151
"115413"	752.241202	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+2Cl"	69.938804
"561172"	1110.877102	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+2Cl"	69.938804
"1029244"	393.605302	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2Cl"	69.938804
"1247728"	796.190685	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Br"	78.918885
"1314551"	798.246672	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Cl+HCOOH"	80.974872
"1332048"	820.228629	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Cl+NaCOOH"	102.956829
"923104"	830.257386	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M-H+CF3COOH"	112.985586
"1296532"	866.234064	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Cl+CF3COOH"	148.962264
"1369226"	682.259124	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H-2H2O"	-35.012676
"1388909"	700.2691	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H-H2O"	-17.0027
"284223"	1435.550876	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+H"	1.007276
"683206"	2152.822676	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+H"	1.007276
"1354089"	718.279076	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H"	1.007276
"134635"	718.279076	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+2H"	2.014552
"568724"	1076.914976	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+2H"	2.014552
"1039711"	359.643176	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2H"	2.014552
"208704"	479.188476	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+3H"	3.021828
"650452"	718.279076	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+3H"	3.021828
"1169671"	240.097876	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+3H"	3.021828
"429664"	1452.577423	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+NH4"	18.033823
"789566"	2169.849223	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+NH4"	18.033823
"1688084"	735.305623	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+NH4"	18.033823
"337456"	726.7923495	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+H+NH4"	19.041099
"729880"	1085.4282495	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+H+NH4"	19.041099
"1485886"	368.1564495	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H+NH4"	19.041099
"404566"	1457.532818	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+Na"	22.989218
"766655"	2174.804618	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+Na"	22.989218
"1605635"	740.261018	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Na"	22.989218
"320412"	729.270047	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+H+Na"	23.996494
"712835"	1087.905947	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+H+Na"	23.996494
"1466660"	370.634147	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H+Na"	23.996494
"1059906"	247.42519	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2H+Na"	25.00377
"1264872"	750.305286	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+CH3OH+H"	33.033486
"381256"	1473.506758	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+K"	38.963158
"744437"	2190.778558	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+K"	38.963158
"1553058"	756.234958	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+K"	38.963158
"306951"	737.257017	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+H+K"	39.970434
"703749"	1095.892917	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+H+K"	39.970434
"1456839"	378.621117	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H+K"	39.970434
"243982"	1476.577426	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+ACN+H"	42.033826
"1222527"	759.305626	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+ACN+H"	42.033826
"1206407"	380.156451	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+ACN+2H"	43.041102
"197817"	1479.51476	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+2Na-H"	44.97116
"636286"	2196.78656	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+2Na-H"	44.97116
"1140882"	762.24296	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2Na-H"	44.97116
"178705"	740.261018	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+2Na"	45.978436
"617175"	1098.896918	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+2Na"	45.978436
"1123960"	381.625118	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2Na"	45.978436
"1406393"	254.752504	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H+2Na"	46.985712
"1436323"	764.284546	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H+HCOOH"	47.012746
"226018"	745.29404	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+3H2O+2H"	56.04448
"1516272"	778.33659	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+IsoProp+H"	61.06479
"412677"	748.247988	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+Na+K"	61.952376
"771849"	1106.883888	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+Na+K"	61.952376
"1668909"	389.612088	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Na+K"	61.952376
"255428"	1498.559368	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+ACN+Na"	64.015768
"1231418"	781.287568	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+ACN+Na"	64.015768
"1717021"	781.311093	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+NH4+HCOOH"	64.039293
"1181283"	262.079818	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+3Na"	68.967654
"1650567"	786.266488	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Na+HCOOH"	68.994688
"158398"	1511.46264	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+2K-H"	76.91904
"598081"	2228.73444	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+2K-H"	76.91904
"1087573"	794.19084	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2K-H"	76.91904
"141965"	756.234958	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"2M+2K"	77.926316
"582616"	1114.870858	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"3M+2K"	77.926316
"1071745"	397.599058	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2K"	77.926316
"1101317"	796.205392	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2K+H"	78.933592
"1341355"	796.293007	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+DMSO+H"	79.021207
"1013170"	800.332176	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2ACN+H"	83.060376
"1532387"	801.325808	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+IsoProp+Na+H"	84.054008
"1001752"	400.669726	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+2ACN+2H"	84.067652
"1597710"	802.240428	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+K+HCOOH"	84.968628
"1420091"	832.271938	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+H+CF3COOH"	115.000138
"1149655"	421.183001	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+3ACN+2H"	125.094202
"1706496"	849.298485	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+NH4+CF3COOH"	132.026685
"1649560"	854.25388	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+Na+CF3COOH"	136.98208
"1584359"	870.22782	"C04489"	"5-Methyltetrahydropteroyltri-L-glutamate"	"C30H39N9O12"	"717.2718"	"M+K+CF3COOH"	152.95602
"813631"	630.1351	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M"	0
"987165"	611.11671	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-H2O-H"	-19.01839
"76136"	419.082790666667	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M-3H"	-3.021828
"517153"	629.127824	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M-3H"	-3.021828
"894472"	209.037757333333	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-3H"	-3.021828
"14259"	629.127824	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M-2H"	-2.014552
"453089"	944.195374	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M-2H"	-2.014552
"825424"	314.060274	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-2H"	-2.014552
"89791"	1259.262924	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M-H"	-1.007276
"528257"	1889.398024	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M-H"	-1.007276
"902780"	629.127824	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-H"	-1.007276
"50595"	1276.289471	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M-2H+NH4"	16.019271
"491249"	1906.424571	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M-2H+NH4"	16.019271
"871237"	646.154371	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-2H+NH4"	16.019271
"32939"	1281.244866	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M-2H+Na"	20.974666
"478699"	1911.379966	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M-2H+Na"	20.974666
"858690"	651.109766	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-2H+Na"	20.974666
"1630410"	651.109766	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Na-2H"	20.974666
"104761"	647.116163	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M-H+Cl"	33.962126
"542132"	962.183713	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M-H+Cl"	33.962126
"931273"	332.048613	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-H+Cl"	33.962126
"269466"	1295.239602	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+Cl"	34.969402
"661522"	1925.374702	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+Cl"	34.969402
"1273796"	665.104502	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Cl"	34.969402
"16473"	1297.218806	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M-2H+K"	36.948606
"470751"	1927.353906	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M-2H+K"	36.948606
"847705"	667.083706	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-2H+K"	36.948606
"1564629"	667.083706	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+K-2H"	36.948606
"951422"	675.133294	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-H+HCOOH"	44.998194
"367450"	1305.268401	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+HCOOH-H"	44.998201
"350239"	1319.284051	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+Hac-H"	59.013851
"1500168"	689.148951	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Hac-H"	59.013851
"967712"	697.115251	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-H+NaCOOH"	66.980151
"119898"	665.104502	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+2Cl"	69.938804
"556182"	980.172052	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+2Cl"	69.938804
"1029355"	350.036952	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2Cl"	69.938804
"1245653"	709.053985	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Br"	78.918885
"1310289"	711.109972	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Cl+HCOOH"	80.974872
"1333250"	733.091929	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Cl+NaCOOH"	102.956829
"924308"	743.120686	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M-H+CF3COOH"	112.985586
"1296642"	779.097364	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Cl+CF3COOH"	148.962264
"1371522"	595.122424	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H-2H2O"	-35.012676
"1385741"	613.1324	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H-H2O"	-17.0027
"295271"	1261.277476	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+H"	1.007276
"683321"	1891.412576	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+H"	1.007276
"1366233"	631.142376	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H"	1.007276
"136935"	631.142376	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+2H"	2.014552
"573212"	946.209926	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+2H"	2.014552
"1040918"	316.074826	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2H"	2.014552
"208817"	421.097342666667	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+3H"	3.021828
"647284"	631.142376	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+3H"	3.021828
"1164682"	211.052309333333	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+3H"	3.021828
"425034"	1278.304023	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+NH4"	18.033823
"790770"	1908.439123	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+NH4"	18.033823
"1689288"	648.168923	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+NH4"	18.033823
"335377"	639.6556495	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+H+NH4"	19.041099
"732172"	954.7231995	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+H+NH4"	19.041099
"1483805"	324.5880995	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H+NH4"	19.041099
"402486"	1283.259418	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+Na"	22.989218
"757282"	1913.394518	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+Na"	22.989218
"1604652"	653.124318	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Na"	22.989218
"316516"	642.133347	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+H+Na"	23.996494
"714048"	957.200897	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+H+Na"	23.996494
"1466777"	327.065797	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H+Na"	23.996494
"1058928"	218.379623333333	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2H+Na"	25.00377
"1264982"	663.168586	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+CH3OH+H"	33.033486
"383557"	1299.233358	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+K"	38.963158
"752209"	1929.368458	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+K"	38.963158
"1553898"	669.098258	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+K"	38.963158
"312530"	650.120317	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+H+K"	39.970434
"702764"	965.187867	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+H+K"	39.970434
"1457684"	335.052767	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H+K"	39.970434
"249927"	1302.304026	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+ACN+H"	42.033826
"1221177"	672.168926	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+ACN+H"	42.033826
"1206154"	336.588101	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+ACN+2H"	43.041102
"200119"	1305.24136	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+2Na-H"	44.97116
"639680"	1935.37646	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+2Na-H"	44.97116
"1139904"	675.10626	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2Na-H"	44.97116
"175902"	653.124318	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+2Na"	45.978436
"621662"	968.191868	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+2Na"	45.978436
"1122983"	338.056768	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2Na"	45.978436
"1407601"	225.706937333333	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H+2Na"	46.985712
"1440809"	677.147846	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H+HCOOH"	47.012746
"229416"	658.15734	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+3H2O+2H"	56.04448
"1515288"	691.19989	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+IsoProp+H"	61.06479
"412787"	661.111288	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+Na+K"	61.952376
"775970"	976.178838	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+Na+K"	61.952376
"1671206"	346.043738	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Na+K"	61.952376
"257726"	1324.285968	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+ACN+Na"	64.015768
"1226425"	694.150868	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+ACN+Na"	64.015768
"1714218"	694.174393	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+NH4+HCOOH"	64.039293
"1180054"	233.034251333333	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+3Na"	68.967654
"1652737"	699.129788	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Na+HCOOH"	68.994688
"158387"	1337.18924	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+2K-H"	76.91904
"598434"	1967.32434	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+2K-H"	76.91904
"1087695"	707.05414	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2K-H"	76.91904
"144508"	669.098258	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"2M+2K"	77.926316
"585525"	984.165808	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"3M+2K"	77.926316
"1069678"	354.030708	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2K"	77.926316
"1110548"	709.068692	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2K+H"	78.933592
"1341470"	709.156307	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+DMSO+H"	79.021207
"1013280"	713.195476	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2ACN+H"	83.060376
"1533593"	714.189108	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+IsoProp+Na+H"	84.054008
"1000041"	357.101376	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+2ACN+2H"	84.067652
"1595637"	715.103728	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+K+HCOOH"	84.968628
"1423486"	745.135238	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+H+CF3COOH"	115.000138
"1155957"	377.614651	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+3ACN+2H"	125.094202
"1702230"	762.161785	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+NH4+CF3COOH"	132.026685
"1643348"	767.11718	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+Na+CF3COOH"	136.98208
"1584469"	783.09112	"C04491"	"Cyanidin-3-rhamnoglucoside chloride;Cyanidin 3-rutinoside chloride;Keracyanin chloride"	"C27H31O15Cl"	"630.1351"	"M+K+CF3COOH"	152.95602
"808275"	682.9233	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M"	0
"981806"	663.90491	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-H2O-H"	-19.01839
"71142"	454.274924	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M-3H"	-3.021828
"513983"	681.916024	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M-3H"	-3.021828
"893973"	226.633824	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-3H"	-3.021828
"14370"	681.916024	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M-2H"	-2.014552
"447733"	1023.377674	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M-2H"	-2.014552
"825535"	340.454374	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-2H"	-2.014552
"84433"	1364.839324	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M-H"	-1.007276
"525089"	2047.762624	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M-H"	-1.007276
"901799"	681.916024	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-H"	-1.007276
"51799"	1381.865871	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M-2H+NH4"	16.019271
"492454"	2064.789171	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M-2H+NH4"	16.019271
"868065"	698.942571	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-2H+NH4"	16.019271
"38156"	1386.821266	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M-2H+Na"	20.974666
"479905"	2069.744566	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M-2H+Na"	20.974666
"857706"	703.897966	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-2H+Na"	20.974666
"1626152"	703.897966	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Na-2H"	20.974666
"99403"	699.904363	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M-H+Cl"	33.962126
"540055"	1041.366013	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M-H+Cl"	33.962126
"931747"	358.442713	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-H+Cl"	33.962126
"270304"	1400.816002	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+Cl"	34.969402
"666737"	2083.739302	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+Cl"	34.969402
"1276223"	717.892702	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Cl"	34.969402
"29966"	1402.795206	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M-2H+K"	36.948606
"471186"	2085.718506	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M-2H+K"	36.948606
"841253"	719.871906	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-2H+K"	36.948606
"1561461"	719.871906	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+K-2H"	36.948606
"952623"	727.921494	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-H+HCOOH"	44.998194
"371932"	1410.844801	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+HCOOH-H"	44.998201
"356914"	1424.860451	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+Hac-H"	59.013851
"1503561"	741.937151	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Hac-H"	59.013851
"967820"	749.903451	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-H+NaCOOH"	66.980151
"121832"	717.892702	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+2Cl"	69.938804
"561758"	1059.354352	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+2Cl"	69.938804
"1034568"	376.431052	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2Cl"	69.938804
"1251230"	761.842185	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Br"	78.918885
"1319145"	763.898172	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Cl+HCOOH"	80.974872
"1328986"	785.880129	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Cl+NaCOOH"	102.956829
"913483"	795.908886	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M-H+CF3COOH"	112.985586
"1296752"	831.885564	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Cl+CF3COOH"	148.962264
"1369447"	647.910624	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H-2H2O"	-35.012676
"1393509"	665.9206	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H-H2O"	-17.0027
"297574"	1366.853876	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+H"	1.007276
"686715"	2049.777176	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+H"	1.007276
"1365978"	683.930576	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H"	1.007276
"133763"	683.930576	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+2H"	2.014552
"574415"	1025.392226	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+2H"	2.014552
"1042485"	342.468926	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2H"	2.014552
"213299"	456.289476	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+3H"	3.021828
"647394"	683.930576	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+3H"	3.021828
"1167708"	228.648376	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+3H"	3.021828
"425510"	1383.880423	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+NH4"	18.033823
"791973"	2066.803723	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+NH4"	18.033823
"1690490"	700.957123	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+NH4"	18.033823
"338767"	692.4438495	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+H+NH4"	19.041099
"733375"	1033.9054995	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+H+NH4"	19.041099
"1483915"	350.9821995	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H+NH4"	19.041099
"397127"	1388.835818	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+Na"	22.989218
"754842"	2071.759118	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+Na"	22.989218
"1608409"	705.912518	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Na"	22.989218
"320645"	694.921547	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+H+Na"	23.996494
"714159"	1036.383197	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+H+Na"	23.996494
"1467981"	353.459897	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H+Na"	23.996494
"1065603"	235.97569	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2H+Na"	25.00377
"1263998"	715.956786	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+CH3OH+H"	33.033486
"378561"	1404.809758	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+K"	38.963158
"745756"	2087.733058	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+K"	38.963158
"1553278"	721.886458	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+K"	38.963158
"312276"	702.908517	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+H+K"	39.970434
"705430"	1044.370167	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+H+K"	39.970434
"1457425"	361.446867	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H+K"	39.970434
"247121"	1407.880426	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+ACN+H"	42.033826
"1222381"	724.957126	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+ACN+H"	42.033826
"1204077"	362.982201	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+ACN+2H"	43.041102
"200229"	1410.81776	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+2Na-H"	44.97116
"639790"	2093.74106	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+2Na-H"	44.97116
"1136732"	727.89446	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2Na-H"	44.97116
"184401"	705.912518	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+2Na"	45.978436
"623963"	1047.374168	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+2Na"	45.978436
"1126013"	364.450868	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2Na"	45.978436
"1407711"	243.303004	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H+2Na"	46.985712
"1438735"	729.936046	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H+HCOOH"	47.012746
"228433"	710.94554	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+3H2O+2H"	56.04448
"1513212"	743.98809	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+IsoProp+H"	61.06479
"415086"	713.899488	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+Na+K"	61.952376
"776080"	1055.361138	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+Na+K"	61.952376
"1669131"	372.437838	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Na+K"	61.952376
"254556"	1429.862368	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+ACN+Na"	64.015768
"1230545"	746.939068	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+ACN+Na"	64.015768
"1713964"	746.962593	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+NH4+HCOOH"	64.039293
"1180284"	250.630318	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+3Na"	68.967654
"1652483"	751.917988	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Na+HCOOH"	68.994688
"158016"	1442.76564	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+2K-H"	76.91904
"600132"	2125.68894	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+2K-H"	76.91904
"1086711"	759.84234	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2K-H"	76.91904
"143157"	721.886458	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"2M+2K"	77.926316
"583091"	1063.348108	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"3M+2K"	77.926316
"1070880"	380.424808	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2K"	77.926316
"1110658"	761.856892	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2K+H"	78.933592
"1341580"	761.944507	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+DMSO+H"	79.021207
"1010110"	765.983676	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2ACN+H"	83.060376
"1531517"	766.977308	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+IsoProp+Na+H"	84.054008
"999057"	383.495476	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+2ACN+2H"	84.067652
"1591374"	767.891928	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+K+HCOOH"	84.968628
"1415452"	797.923438	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+H+CF3COOH"	115.000138
"1148416"	404.008751	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+3ACN+2H"	125.094202
"1698329"	814.949985	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+NH4+CF3COOH"	132.026685
"1648929"	819.90538	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+Na+CF3COOH"	136.98208
"1584579"	835.87932	"C04494"	"Guanosine 3-diphosphate 5-triphosphate;Guanosine 5-triphosphate3-diphosphate"	"C10H18N5O20P5"	"682.9233"	"M+K+CF3COOH"	152.95602
"805102"	276.1586	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M"	0
"981916"	257.14021	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-H2O-H"	-19.01839
"73438"	183.098457333333	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M-3H"	-3.021828
"514093"	275.151324	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M-3H"	-3.021828
"894083"	91.0455906666667	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-3H"	-3.021828
"14602"	275.151324	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M-2H"	-2.014552
"453310"	413.230624	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M-2H"	-2.014552
"825645"	137.072024	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-2H"	-2.014552
"84543"	551.309924	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M-H"	-1.007276
"526293"	827.468524	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M-H"	-1.007276
"898630"	275.151324	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-H"	-1.007276
"50816"	568.336471	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M-2H+NH4"	16.019271
"494750"	844.495071	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M-2H+NH4"	16.019271
"868176"	292.177871	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-2H+NH4"	16.019271
"39360"	573.291866	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M-2H+Na"	20.974666
"480015"	849.450466	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M-2H+Na"	20.974666
"857816"	297.133266	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-2H+Na"	20.974666
"1624076"	297.133266	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Na-2H"	20.974666
"99513"	293.139663	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M-H+Cl"	33.962126
"539072"	431.218963	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M-H+Cl"	33.962126
"934774"	155.060363	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-H+Cl"	33.962126
"270051"	587.286602	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+Cl"	34.969402
"666847"	863.445202	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+Cl"	34.969402
"1276697"	311.128002	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Cl"	34.969402
"26184"	589.265806	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M-2H+K"	36.948606
"462462"	865.424406	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M-2H+K"	36.948606
"838081"	313.107206	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-2H+K"	36.948606
"1568131"	313.107206	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+K-2H"	36.948606
"947266"	321.156794	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-H+HCOOH"	44.998194
"368763"	597.315401	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+HCOOH-H"	44.998201
"358117"	611.331051	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+Hac-H"	59.013851
"1507317"	335.172451	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Hac-H"	59.013851
"967930"	343.138751	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-H+NaCOOH"	66.980151
"122306"	311.128002	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+2Cl"	69.938804
"562961"	449.207302	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+2Cl"	69.938804
"1036134"	173.048702	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2Cl"	69.938804
"1255713"	355.077485	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Br"	78.918885
"1318771"	357.133472	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Cl+HCOOH"	80.974872
"1330189"	379.115429	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Cl+NaCOOH"	102.956829
"913593"	389.144186	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M-H+CF3COOH"	112.985586
"1296862"	425.120864	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Cl+CF3COOH"	148.962264
"1372837"	241.145924	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H-2H2O"	-35.012676
"1385961"	259.1559	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H-H2O"	-17.0027
"294403"	553.324476	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+H"	1.007276
"683545"	829.483076	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+H"	1.007276
"1362080"	277.165876	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H"	1.007276
"136062"	277.165876	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+2H"	2.014552
"574527"	415.245176	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+2H"	2.014552
"1046606"	139.086576	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2H"	2.014552
"211224"	185.113009333333	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+3H"	3.021828
"650784"	277.165876	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+3H"	3.021828
"1168912"	93.0601426666667	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+3H"	3.021828
"428902"	570.351023	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+NH4"	18.033823
"790990"	846.509623	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+NH4"	18.033823
"1688414"	294.192423	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+NH4"	18.033823
"337787"	285.6791495	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+H+NH4"	19.041099
"732393"	423.7584495	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+H+NH4"	19.041099
"1481839"	147.5998495	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H+NH4"	19.041099
"396144"	575.306418	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+Na"	22.989218
"756046"	851.465018	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+Na"	22.989218
"1607790"	299.147818	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Na"	22.989218
"320753"	288.156847	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+H+Na"	23.996494
"712081"	426.236147	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+H+Na"	23.996494
"1468091"	150.077547	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H+Na"	23.996494
"1060244"	100.387456666667	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2H+Na"	25.00377
"1263015"	309.192086	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+CH3OH+H"	33.033486
"380494"	591.280358	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+K"	38.963158
"744773"	867.438958	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+K"	38.963158
"1553388"	315.121758	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+K"	38.963158
"311657"	296.143817	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+H+K"	39.970434
"704081"	434.223117	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+H+K"	39.970434
"1457899"	158.064517	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H+K"	39.970434
"247231"	594.351026	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+ACN+H"	42.033826
"1220306"	318.192426	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+ACN+H"	42.033826
"1200905"	159.599851	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+ACN+2H"	43.041102
"199245"	597.28836	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+2Na-H"	44.97116
"637713"	873.44696	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+2Na-H"	44.97116
"1136842"	321.12976	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2Na-H"	44.97116
"181228"	299.147818	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+2Na"	45.978436
"621884"	437.227118	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+2Na"	45.978436
"1126488"	161.068518	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2Na"	45.978436
"1405634"	107.714770666667	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H+2Na"	46.985712
"1438845"	323.171346	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H+HCOOH"	47.012746
"228544"	304.18084	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+3H2O+2H"	56.04448
"1516602"	337.22339	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+IsoProp+H"	61.06479
"418476"	307.134788	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+Na+K"	61.952376
"773274"	445.214088	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+Na+K"	61.952376
"1670334"	169.055488	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Na+K"	61.952376
"253208"	616.332968	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+ACN+Na"	64.015768
"1229562"	340.174368	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+ACN+Na"	64.015768
"1714074"	340.197893	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+NH4+HCOOH"	64.039293
"1179422"	115.042084666667	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+3Na"	68.967654
"1651864"	345.153288	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Na+HCOOH"	68.994688
"157395"	629.23624	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+2K-H"	76.91904
"598539"	905.39484	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+2K-H"	76.91904
"1084874"	353.07764	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2K-H"	76.91904
"143147"	315.121758	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"2M+2K"	77.926316
"583315"	453.201058	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"3M+2K"	77.926316
"1070625"	177.042458	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2K"	77.926316
"1112591"	355.092192	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2K+H"	78.933592
"1341691"	355.179807	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+DMSO+H"	79.021207
"1011313"	359.218976	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2ACN+H"	83.060376
"1530534"	360.212608	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+IsoProp+Na+H"	84.054008
"998075"	180.113126	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+2ACN+2H"	84.067652
"1591486"	361.127228	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+K+HCOOH"	84.968628
"1421518"	391.158738	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+H+CF3COOH"	115.000138
"1148526"	200.626401	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+3ACN+2H"	125.094202
"1698075"	408.185285	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+NH4+CF3COOH"	132.026685
"1641384"	413.14068	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+Na+CF3COOH"	136.98208
"1584689"	429.11462	"C04498"	"p-Coumaroylagmatine;N-(4-Guanidinobutyl)-4-hydroxycinnamide;N-(4-Guanidinobutyl)-4-hydroxycinnamamide"	"C14H20N4O2"	"276.1586"	"M+K+CF3COOH"	152.95602
"815788"	301.0563	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M"	0
"986401"	282.03791	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H2O-H"	-19.01839
"77439"	199.696924	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-3H"	-3.021828
"516390"	300.049024	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-3H"	-3.021828
"892004"	99.344824	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-3H"	-3.021828
"9486"	300.049024	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H"	-2.014552
"449049"	450.577174	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H"	-2.014552
"826849"	149.520874	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H"	-2.014552
"87936"	601.105324	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H"	-1.007276
"522029"	902.161624	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H"	-1.007276
"899833"	300.049024	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H"	-1.007276
"54208"	618.131871	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+NH4"	16.019271
"497049"	919.188171	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+NH4"	16.019271
"867194"	317.075571	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+NH4"	16.019271
"39470"	623.087266	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+Na"	20.974666
"479032"	924.143566	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+Na"	20.974666
"856833"	322.030966	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+Na"	20.974666
"1628560"	322.030966	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na-2H"	20.974666
"96343"	318.037363	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H+Cl"	33.962126
"539183"	468.565513	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H+Cl"	33.962126
"938165"	167.509213	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+Cl"	33.962126
"276723"	637.082002	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Cl"	34.969402
"665863"	938.138302	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Cl"	34.969402
"1276443"	336.025702	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl"	34.969402
"25201"	639.061206	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+K"	36.948606
"463667"	940.117506	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+K"	36.948606
"838191"	338.004906	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+K"	36.948606
"1567149"	338.004906	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K-2H"	36.948606
"952844"	346.054494	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+HCOOH"	44.998194
"372154"	647.110801	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+HCOOH-H"	44.998201
"358230"	661.126451	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Hac-H"	59.013851
"1505605"	360.070151	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Hac-H"	59.013851
"970229"	368.036451	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+NaCOOH"	66.980151
"123510"	336.025702	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Cl"	69.938804
"563799"	486.553852	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Cl"	69.938804
"1034060"	185.497552	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Cl"	69.938804
"1253637"	379.975185	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Br"	78.918885
"1317178"	382.031172	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+HCOOH"	80.974872
"1330299"	404.013129	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+NaCOOH"	102.956829
"919172"	414.041886	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+CF3COOH"	112.985586
"1299161"	450.018564	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+CF3COOH"	148.962264
"1372947"	266.043624	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-2H2O"	-35.012676
"1392637"	284.0536	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-H2O"	-17.0027
"295606"	603.119876	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H"	1.007276
"689851"	904.176176	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H"	1.007276
"1361098"	302.063576	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H"	1.007276
"138360"	302.063576	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2H"	2.014552
"579012"	452.591726	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2H"	2.014552
"1047812"	151.535426	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H"	2.014552
"209150"	201.711476	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H"	3.021828
"648711"	302.063576	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+3H"	3.021828
"1165012"	101.359376	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3H"	3.021828
"425732"	620.146423	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+NH4"	18.033823
"793288"	921.202723	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+NH4"	18.033823
"1688527"	319.090123	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4"	18.033823
"337898"	310.5768495	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+NH4"	19.041099
"731411"	461.1049995	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+NH4"	19.041099
"1486324"	160.0486995	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+NH4"	19.041099
"396253"	625.101818	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na"	22.989218
"757615"	926.158118	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na"	22.989218
"1607541"	324.045518	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na"	22.989218
"318679"	313.054547	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+Na"	23.996494
"715474"	463.582697	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+Na"	23.996494
"1466015"	162.526397	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+Na"	23.996494
"1063635"	108.68669	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H+Na"	25.00377
"1265313"	334.089786	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+CH3OH+H"	33.033486
"389356"	641.075758	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+K"	38.963158
"749259"	942.132058	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+K"	38.963158
"1551312"	340.019458	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K"	38.963158
"310677"	321.041517	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+K"	39.970434
"699820"	471.569667	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+K"	39.970434
"1456189"	170.513367	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+K"	39.970434
"244428"	644.146426	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+H"	42.033826
"1221145"	343.090126	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+H"	42.033826
"1202110"	172.048701	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+2H"	43.041102
"193889"	647.08376	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na-H"	44.97116
"634543"	948.14006	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na-H"	44.97116
"1132578"	346.02746	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na-H"	44.97116
"178059"	324.045518	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na"	45.978436
"625275"	474.573668	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na"	45.978436
"1127691"	173.517368	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na"	45.978436
"1410119"	116.014004	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+2Na"	46.985712
"1441146"	348.069046	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+HCOOH"	47.012746
"230839"	329.07854	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H2O+2H"	56.04448
"1518899"	362.12109	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+H"	61.06479
"417493"	332.032488	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na+K"	61.952376
"780675"	482.560638	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na+K"	61.952376
"1672632"	181.504338	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+K"	61.952376
"252590"	666.128368	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+Na"	64.015768
"1227485"	365.072068	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+Na"	64.015768
"1713454"	365.095593	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+HCOOH"	64.039293
"1178966"	123.341318	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3Na"	68.967654
"1651975"	370.050988	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+HCOOH"	68.994688
"157988"	679.03164	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K-H"	76.91904
"599014"	980.08794	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K-H"	76.91904
"1085956"	377.97534	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K-H"	76.91904
"142407"	340.019458	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K"	77.926316
"583792"	490.547608	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K"	77.926316
"1075486"	189.491308	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K"	77.926316
"1105414"	379.989892	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K+H"	78.933592
"1339612"	380.077507	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+DMSO+H"	79.021207
"1012516"	384.116676	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+H"	83.060376
"1532829"	385.110308	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+Na+H"	84.054008
"997090"	192.561976	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+2H"	84.067652
"1591596"	386.024928	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+HCOOH"	84.968628
"1422723"	416.056438	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+CF3COOH"	115.000138
"1155196"	213.075251	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3ACN+2H"	125.094202
"1709120"	433.082985	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+CF3COOH"	132.026685
"1643679"	438.03838	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+CF3COOH"	136.98208
"1584800"	454.01232	"C04501"	"N-Acetyl-alpha-D-glucosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+CF3COOH"	152.95602
"815046"	277.0229	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M"	0
"986513"	258.00451	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-H2O-H"	-19.01839
"74756"	183.674657333333	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M-3H"	-3.021828
"517472"	276.015624	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M-3H"	-3.021828
"886650"	91.3336906666667	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-3H"	-3.021828
"6318"	276.015624	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M-2H"	-2.014552
"450252"	414.527074	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M-2H"	-2.014552
"820402"	137.504174	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-2H"	-2.014552
"83674"	553.038524	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M-H"	-1.007276
"529433"	830.061424	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M-H"	-1.007276
"901038"	276.015624	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-H"	-1.007276
"49944"	570.065071	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M-2H+NH4"	16.019271
"497889"	847.087971	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M-2H+NH4"	16.019271
"872774"	293.042171	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-2H+NH4"	16.019271
"41770"	575.020466	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M-2H+Na"	20.974666
"479145"	852.043366	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M-2H+Na"	20.974666
"854761"	297.997566	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-2H+Na"	20.974666
"1630861"	297.997566	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Na-2H"	20.974666
"106295"	294.003963	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M-H+Cl"	33.962126
"545856"	432.515413	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M-H+Cl"	33.962126
"931717"	155.492513	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-H+Cl"	33.962126
"279022"	589.015202	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+Cl"	34.969402
"668161"	866.038102	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+Cl"	34.969402
"1278375"	311.992302	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Cl"	34.969402
"28593"	590.994406	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M-2H+K"	36.948606
"467061"	868.017306	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M-2H+K"	36.948606
"838301"	313.971506	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-2H+K"	36.948606
"1558510"	313.971506	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+K-2H"	36.948606
"956967"	322.021094	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-H+HCOOH"	44.998194
"374455"	599.044001	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+HCOOH-H"	44.998201
"357247"	613.059651	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+Hac-H"	59.013851
"1505716"	336.036751	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Hac-H"	59.013851
"972527"	344.003051	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-H+NaCOOH"	66.980151
"123257"	311.992302	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+2Cl"	69.938804
"558809"	450.503752	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+2Cl"	69.938804
"1034898"	173.480852	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2Cl"	69.938804
"1252655"	355.941785	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Br"	78.918885
"1314010"	357.997772	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Cl+HCOOH"	80.974872
"1331507"	379.979729	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Cl+NaCOOH"	102.956829
"923658"	390.008486	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M-H+CF3COOH"	112.985586
"1301460"	425.985164	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Cl+CF3COOH"	148.962264
"1378525"	242.010224	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H-2H2O"	-35.012676
"1393841"	260.0202	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H-H2O"	-17.0027
"297905"	555.053076	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+H"	1.007276
"689598"	832.075976	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+H"	1.007276
"1363393"	278.030176	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H"	1.007276
"133000"	278.030176	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+2H"	2.014552
"573652"	416.541626	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+2H"	2.014552
"1051200"	139.518726	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2H"	2.014552
"211447"	185.689209333333	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+3H"	3.021828
"654287"	278.030176	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+3H"	3.021828
"1175692"	93.3482426666667	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+3H"	3.021828
"432403"	572.079623	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+NH4"	18.033823
"792302"	849.102523	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+NH4"	18.033823
"1688633"	295.056723	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+NH4"	18.033823
"338005"	286.5434495	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+H+NH4"	19.041099
"730426"	425.0548995	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+H+NH4"	19.041099
"1484246"	148.0319995	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H+NH4"	19.041099
"399645"	577.035018	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+Na"	22.989218
"760647"	854.057918	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+Na"	22.989218
"1607651"	300.012118	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Na"	22.989218
"326445"	289.021147	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+H+Na"	23.996494
"716679"	427.532597	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+H+Na"	23.996494
"1474874"	150.509697	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H+Na"	23.996494
"1066299"	100.675556666667	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2H+Na"	25.00377
"1265423"	310.056386	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+CH3OH+H"	33.033486
"387280"	593.008958	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+K"	38.963158
"750467"	870.031858	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+K"	38.963158
"1552518"	315.986058	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+K"	38.963158
"310788"	297.008117	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+H+K"	39.970434
"702117"	435.519567	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+H+K"	39.970434
"1455935"	158.496667	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H+K"	39.970434
"245633"	596.079626	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+ACN+H"	42.033826
"1219434"	319.056726	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+ACN+H"	42.033826
"1205505"	160.032001	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+ACN+2H"	43.041102
"200928"	599.01696	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+2Na-H"	44.97116
"637935"	876.03986	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+2Na-H"	44.97116
"1142534"	321.99406	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2Na-H"	44.97116
"178170"	300.012118	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+2Na"	45.978436
"626725"	438.523568	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+2Na"	45.978436
"1123429"	161.500668	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2Na"	45.978436
"1410235"	108.002870666667	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H+2Na"	46.985712
"1444532"	324.035646	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H+HCOOH"	47.012746
"233864"	305.04514	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+3H2O+2H"	56.04448
"1517920"	338.08769	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+IsoProp+H"	61.06479
"417606"	307.999088	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+Na+K"	61.952376
"779695"	446.510538	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+Na+K"	61.952376
"1676022"	169.487638	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Na+K"	61.952376
"258170"	618.061568	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+ACN+Na"	64.015768
"1230876"	341.038668	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+ACN+Na"	64.015768
"1718671"	341.062193	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+NH4+HCOOH"	64.039293
"1180744"	115.330184666667	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+3Na"	68.967654
"1652096"	346.017588	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Na+HCOOH"	68.994688
"160049"	630.96484	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+2K-H"	76.91904
"607636"	907.98774	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+2K-H"	76.91904
"1091417"	353.94194	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2K-H"	76.91904
"146045"	315.986058	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"2M+2K"	77.926316
"583421"	454.497508	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"3M+2K"	77.926316
"1070248"	177.474608	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2K"	77.926316
"1100251"	355.956492	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2K+H"	78.933592
"1337901"	356.044107	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+DMSO+H"	79.021207
"1009348"	360.083276	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2ACN+H"	83.060376
"1529661"	361.076908	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+IsoProp+Na+H"	84.054008
"998295"	180.545276	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+2ACN+2H"	84.067652
"1587816"	361.991528	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+K+HCOOH"	84.968628
"1416637"	392.023038	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+H+CF3COOH"	115.000138
"1148748"	201.058551	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+3ACN+2H"	125.094202
"1702672"	409.049585	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+NH4+CF3COOH"	132.026685
"1640510"	414.00498	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+Na+CF3COOH"	136.98208
"1584911"	429.97892	"C04503"	"N-Phosphoguanidinoethyl methyl phosphate"	"C4H13N3O7P2"	"277.0229"	"M+K+CF3COOH"	152.95602
"815278"	1088.6847	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M"	0
"988698"	1069.66631	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H2O-H"	-19.01839
"74869"	724.782524	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-3H"	-3.021828
"508962"	1087.677424	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-3H"	-3.021828
"894057"	361.887624	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-3H"	-3.021828
"11901"	1087.677424	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H"	-2.014552
"449278"	1632.019774	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H"	-2.014552
"832186"	543.335074	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H"	-2.014552
"90350"	2176.362124	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-H"	-1.007276
"531000"	3265.046824	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-H"	-1.007276
"904428"	1087.677424	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H"	-1.007276
"61486"	2193.388671	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H+NH4"	16.019271
"497277"	3282.073371	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H+NH4"	16.019271
"873982"	1104.703971	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H+NH4"	16.019271
"39706"	2198.344066	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H+Na"	20.974666
"482546"	3287.028766	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H+Na"	20.974666
"860347"	1109.659366	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H+Na"	20.974666
"1626598"	1109.659366	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na-2H"	20.974666
"103125"	1105.665763	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-H+Cl"	33.962126
"542690"	1650.008113	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-H+Cl"	33.962126
"934017"	561.323413	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+Cl"	33.962126
"279136"	2212.338802	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Cl"	34.969402
"671559"	3301.023502	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+Cl"	34.969402
"1283961"	1123.654102	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl"	34.969402
"24331"	2214.318006	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H+K"	36.948606
"466077"	3303.002706	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H+K"	36.948606
"835135"	1125.633306	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H+K"	36.948606
"1558622"	1125.633306	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K-2H"	36.948606
"953071"	1133.682894	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+HCOOH"	44.998194
"374203"	2222.367601	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+HCOOH-H"	44.998201
"358084"	2236.383251	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Hac-H"	59.013851
"1506188"	1147.698551	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Hac-H"	59.013851
"964983"	1155.664851	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+NaCOOH"	66.980151
"123734"	1123.654102	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2Cl"	69.938804
"561835"	1667.996452	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2Cl"	69.938804
"1029906"	579.311752	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2Cl"	69.938804
"1255923"	1167.603585	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Br"	78.918885
"1316670"	1169.659572	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl+HCOOH"	80.974872
"1327241"	1191.641529	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl+NaCOOH"	102.956829
"923047"	1201.670286	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+CF3COOH"	112.985586
"1299754"	1237.646964	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl+CF3COOH"	148.962264
"1373178"	1053.672024	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H-2H2O"	-35.012676
"1389580"	1071.682	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H-H2O"	-17.0027
"295828"	2178.376676	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H"	1.007276
"683875"	3267.061376	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H"	1.007276
"1366058"	1089.691976	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H"	1.007276
"138577"	1089.691976	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2H"	2.014552
"578865"	1634.034326	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2H"	2.014552
"1048030"	545.349626	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2H"	2.014552
"212649"	726.797076	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+3H"	3.021828
"654397"	1089.691976	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+3H"	3.021828
"1174709"	363.902176	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+3H"	3.021828
"433605"	2195.403223	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+NH4"	18.033823
"794598"	3284.087923	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+NH4"	18.033823
"1685462"	1106.718523	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+NH4"	18.033823
"338117"	1098.2052495	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H+NH4"	19.041099
"733827"	1642.5475995	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H+NH4"	19.041099
"1486558"	553.8628995	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+NH4"	19.041099
"404143"	2200.358618	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Na"	22.989218
"759672"	3289.043318	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+Na"	22.989218
"1611051"	1111.673918	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na"	22.989218
"325461"	1100.682947	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H+Na"	23.996494
"714601"	1645.025297	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H+Na"	23.996494
"1469889"	556.340597	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+Na"	23.996494
"1059491"	371.22949	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2H+Na"	25.00377
"1262264"	1121.718186	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+CH3OH+H"	33.033486
"381930"	2216.332558	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+K"	38.963158
"746204"	3305.017258	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+K"	38.963158
"1549348"	1127.647858	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K"	38.963158
"309805"	1108.669917	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H+K"	39.970434
"701132"	1653.012267	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H+K"	39.970434
"1457869"	564.327567	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+K"	39.970434
"244647"	2219.403226	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+ACN+H"	42.033826
"1216263"	1130.718526	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+ACN+H"	42.033826
"1202334"	565.862901	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+ACN+2H"	43.041102
"196298"	2222.34056	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2Na-H"	44.97116
"640234"	3311.02526	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2Na-H"	44.97116
"1139364"	1133.65586	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2Na-H"	44.97116
"178281"	1111.673918	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2Na"	45.978436
"618940"	1656.016268	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2Na"	45.978436
"1117705"	567.331568	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2Na"	45.978436
"1400499"	378.556804	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+2Na"	46.985712
"1434805"	1135.697446	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+HCOOH"	47.012746
"225594"	1116.70694	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+3H2O+2H"	56.04448
"1513658"	1149.74949	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+IsoProp+H"	61.06479
"419903"	1119.660888	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Na+K"	61.952376
"774337"	1664.003238	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+Na+K"	61.952376
"1672854"	575.318538	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na+K"	61.952376
"254270"	2241.385168	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+ACN+Na"	64.015768
"1228433"	1152.700468	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+ACN+Na"	64.015768
"1722432"	1152.723993	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+NH4+HCOOH"	64.039293
"1189243"	385.884118	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+3Na"	68.967654
"1658407"	1157.679388	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na+HCOOH"	68.994688
"161988"	2254.28844	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2K-H"	76.91904
"599368"	3342.97314	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2K-H"	76.91904
"1084600"	1165.60374	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2K-H"	76.91904
"141700"	1127.647858	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2K"	77.926316
"582024"	1671.990208	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2K"	77.926316
"1068773"	583.305508	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2K"	77.926316
"1101627"	1167.618292	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2K+H"	78.933592
"1335765"	1167.705907	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+DMSO+H"	79.021207
"1005843"	1171.745076	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2ACN+H"	83.060376
"1524259"	1172.738708	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+IsoProp+Na+H"	84.054008
"990053"	586.376176	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2ACN+2H"	84.067652
"1587192"	1173.653328	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K+HCOOH"	84.968628
"1414920"	1203.684838	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+CF3COOH"	115.000138
"1149954"	606.889451	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+3ACN+2H"	125.094202
"1697683"	1220.711385	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+NH4+CF3COOH"	132.026685
"1643906"	1225.66678	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na+CF3COOH"	136.98208
"1585024"	1241.64072	"C04507"	"alpha-D-Galactosyl-diphosphoundecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K+CF3COOH"	152.95602
"816485"	858.5692	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M"	0
"989603"	839.55081	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H2O-H"	-19.01839
"77899"	571.372190666667	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-3H"	-3.021828
"518455"	857.561924	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-3H"	-3.021828
"895229"	285.182457333333	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-3H"	-3.021828
"15296"	857.561924	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H"	-2.014552
"455619"	1286.846524	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H"	-2.014552
"832173"	428.277324	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H"	-2.014552
"91555"	1716.131124	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-H"	-1.007276
"531115"	2574.700324	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-H"	-1.007276
"908921"	857.561924	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H"	-1.007276
"61108"	1733.157671	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+NH4"	16.019271
"501398"	2591.726871	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+NH4"	16.019271
"870824"	874.588471	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+NH4"	16.019271
"44192"	1738.113066	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+Na"	20.974666
"485820"	2596.682266	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+Na"	20.974666
"862646"	879.543866	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+Na"	20.974666
"1629625"	879.543866	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na-2H"	20.974666
"103238"	875.550263	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-H+Cl"	33.962126
"544984"	1304.834863	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-H+Cl"	33.962126
"941179"	446.265663	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+Cl"	33.962126
"278155"	1752.107802	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Cl"	34.969402
"674344"	2610.677002	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Cl"	34.969402
"1286260"	893.538602	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl"	34.969402
"26629"	1754.087006	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+K"	36.948606
"466191"	2612.656206	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+K"	36.948606
"845086"	895.517806	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+K"	36.948606
"1567482"	895.517806	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K-2H"	36.948606
"957556"	903.567394	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+HCOOH"	44.998194
"375773"	1762.136601	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+HCOOH-H"	44.998201
"357467"	1776.152251	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Hac-H"	59.013851
"1504842"	917.583051	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Hac-H"	59.013851
"972021"	925.549351	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+NaCOOH"	66.980151
"124573"	893.538602	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Cl"	69.938804
"565106"	1322.823202	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Cl"	69.938804
"1034392"	464.254002	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Cl"	69.938804
"1256400"	937.488085	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Br"	78.918885
"1314232"	939.544072	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+HCOOH"	80.974872
"1334730"	961.526029	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+NaCOOH"	102.956829
"924979"	971.554786	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+CF3COOH"	112.985586
"1300593"	1007.531464	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+CF3COOH"	148.962264
"1377298"	823.556524	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H-2H2O"	-35.012676
"1392971"	841.5665	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H-H2O"	-17.0027
"293752"	1718.145676	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H"	1.007276
"689822"	2576.714876	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H"	1.007276
"1365806"	859.576476	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H"	1.007276
"140521"	859.576476	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2H"	2.014552
"578615"	1288.861076	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2H"	2.014552
"1052153"	430.291876	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2H"	2.014552
"213854"	573.386742666667	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+3H"	3.021828
"652321"	859.576476	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+3H"	3.021828
"1173725"	287.197009333333	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3H"	3.021828
"432622"	1735.172223	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+NH4"	18.033823
"793615"	2593.741423	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+NH4"	18.033823
"1688859"	876.603023	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4"	18.033823
"345645"	868.0897495	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+NH4"	19.041099
"736128"	1297.3743495	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+NH4"	19.041099
"1488856"	438.8051495	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+NH4"	19.041099
"405348"	1740.127618	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Na"	22.989218
"769624"	2598.696818	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Na"	22.989218
"1616628"	881.558418	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na"	22.989218
"328853"	870.567447	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+Na"	23.996494
"713630"	1299.852047	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+Na"	23.996494
"1468544"	441.282847	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+Na"	23.996494
"1061788"	294.524323333333	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2H+Na"	25.00377
"1265654"	891.602686	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+CH3OH+H"	33.033486
"388602"	1756.101558	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+K"	38.963158
"747410"	2614.670758	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+K"	38.963158
"1551287"	897.532358	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K"	38.963158
"309918"	878.554417	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+K"	39.970434
"701614"	1307.839017	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+K"	39.970434
"1456157"	449.269817	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+K"	39.970434
"244759"	1759.172226	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+ACN+H"	42.033826
"1224032"	900.603026	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+H"	42.033826
"1205726"	450.805151	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+2H"	43.041102
"199690"	1762.10956	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Na-H"	44.97116
"643385"	2620.67876	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Na-H"	44.97116
"1145187"	903.54036	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Na-H"	44.97116
"180585"	881.558418	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Na"	45.978436
"621241"	1310.843018	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Na"	45.978436
"1119641"	452.273818	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Na"	45.978436
"1403166"	301.851637333333	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+2Na"	46.985712
"1436375"	905.581946	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+HCOOH"	47.012746
"226799"	886.59144	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+3H2O+2H"	56.04448
"1514494"	919.63399	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+IsoProp+H"	61.06479
"411993"	889.545388	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Na+K"	61.952376
"771165"	1318.829988	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Na+K"	61.952376
"1667132"	460.260788	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+K"	61.952376
"255111"	1781.154168	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+ACN+Na"	64.015768
"1234389"	922.584968	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+Na"	64.015768
"1721087"	922.608493	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4+HCOOH"	64.039293
"1186441"	309.178951333333	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3Na"	68.967654
"1659612"	927.563888	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+HCOOH"	68.994688
"163199"	1794.05744	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2K-H"	76.91904
"597613"	2652.62664	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2K-H"	76.91904
"1087638"	935.48824	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K-H"	76.91904
"143725"	897.532358	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2K"	77.926316
"584746"	1326.816958	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2K"	77.926316
"1073633"	468.247758	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K"	77.926316
"1100515"	937.502792	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K+H"	78.933592
"1336297"	937.590407	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+DMSO+H"	79.021207
"1006770"	941.629576	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2ACN+H"	83.060376
"1525135"	942.623208	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+IsoProp+Na+H"	84.054008
"990369"	471.318426	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2ACN+2H"	84.067652
"1589010"	943.537828	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K+HCOOH"	84.968628
"1414903"	973.569338	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+CF3COOH"	115.000138
"1148970"	491.831701	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3ACN+2H"	125.094202
"1697792"	990.595885	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4+CF3COOH"	132.026685
"1641829"	995.55128	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+CF3COOH"	136.98208
"1572011"	1011.52522	"C04509"	"di-transpoly-cis-Decaprenyl diphosphate;ditransheptacis-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K+CF3COOH"	152.95602
"811129"	162.0681	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M"	0
"984663"	143.04971	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"75824"	107.038124	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"515748"	161.060824	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"890270"	53.015424	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"15665"	161.060824	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"455539"	242.094874	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"832670"	80.026774	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"92764"	323.128924	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"533991"	485.197024	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"906851"	161.060824	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"59038"	340.155471	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"502658"	502.223571	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"879840"	178.087371	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"47023"	345.110866	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"484589"	507.178966	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"863855"	183.042766	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1632292"	183.042766	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"104449"	179.049163	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"545102"	260.083213	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"938617"	98.015113	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"279360"	359.105602	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"667408"	521.173702	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1286375"	197.037502	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"30028"	361.084806	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"468495"	523.152906	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"845933"	199.016706	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1569057"	199.016706	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"956939"	207.066294	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"377012"	369.134401	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"360132"	383.150051	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1507506"	221.081951	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"971039"	229.048251	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"123956"	197.037502	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"562423"	278.071552	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1030137"	116.003452	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1247528"	240.986985	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1309973"	243.042972	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1324191"	265.024929	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"922902"	275.053686	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1296330"	311.030364	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1378865"	127.055424	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1387978"	145.0654	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"293861"	325.143476	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"688471"	487.211576	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1363727"	163.075376	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"137708"	163.075376	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"576175"	244.109426	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1044975"	82.041326	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"216887"	109.052676	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"656812"	163.075376	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1177004"	55.029976	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"438946"	342.170023	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"799576"	504.238123	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1695176"	180.101923	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"342726"	171.5886495	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"729681"	252.6226995	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1487878"	90.5545995	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"404370"	347.125418	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"759895"	509.193518	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1609087"	185.057318	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"321313"	174.066347	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"714829"	255.100397	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1470837"	93.032297	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1062990"	62.35729	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1266854"	195.101586	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"388713"	363.099358	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"750802"	525.167458	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1551760"	201.031258	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"312219"	182.053317	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"705368"	263.087367	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1457368"	101.019267	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"245970"	366.170026	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1219774"	204.101926	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1204750"	102.554601	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"195435"	369.10736	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"635359"	531.17546	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1136312"	207.03926	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"175230"	185.057318	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"614058"	266.091368	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1120117"	104.023268	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1401451"	69.684604	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1431378"	209.080846	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"222898"	190.09034	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1512421"	223.13289	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"412470"	193.044288	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"777842"	274.078338	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1674173"	112.010238	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"258505"	388.151968	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1232306"	226.083868	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1716094"	226.107393	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1185467"	77.011918	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1651712"	231.062788	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"162218"	401.05524	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"602872"	563.12334	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1094675"	238.98714	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"144201"	201.031258	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"581394"	282.065308	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1068752"	119.997208	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1099952"	241.001692	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1336044"	241.089307	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1009678"	245.128476	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1526713"	246.122108	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"990607"	123.067876	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1588759"	247.036728	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1415513"	277.068238	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1150175"	143.581151	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1698635"	294.094785	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1635379"	299.05018	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1585248"	315.02412	"C04514"	"(1S2S)-12-Dihydronaphthalene-12-diol;trans-12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"803585"	788.1072	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M"	0
"985868"	769.08881	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-H2O-H"	-19.01839
"71923"	524.397524	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M-3H"	-3.021828
"509299"	787.099924	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M-3H"	-3.021828
"889286"	261.695124	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-3H"	-3.021828
"5675"	787.099924	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H"	-2.014552
"454676"	1181.153524	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H"	-2.014552
"831787"	393.046324	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-2H"	-2.014552
"89593"	1575.207124	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M-H"	-1.007276
"530251"	2363.314324	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M-H"	-1.007276
"898575"	787.099924	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-H"	-1.007276
"53681"	1592.233671	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H+NH4"	16.019271
"497615"	2380.340871	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H+NH4"	16.019271
"874322"	804.126471	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-2H+NH4"	16.019271
"42954"	1597.189066	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H+Na"	20.974666
"482512"	2385.296266	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H+Na"	20.974666
"854483"	809.081866	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-2H+Na"	20.974666
"1621833"	809.081866	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Na-2H"	20.974666
"96538"	805.088263	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M-H+Cl"	33.962126
"535853"	1199.141863	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M-H+Cl"	33.962126
"932167"	411.034663	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-H+Cl"	33.962126
"275097"	1611.183802	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+Cl"	34.969402
"670801"	2399.291002	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+Cl"	34.969402
"1283206"	823.076602	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl"	34.969402
"18108"	1613.163006	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H+K"	36.948606
"458033"	2401.270206	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H+K"	36.948606
"842032"	825.055806	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-2H+K"	36.948606
"1567707"	825.055806	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+K-2H"	36.948606
"951215"	833.105394	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-H+HCOOH"	44.998194
"372349"	1621.212601	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+HCOOH-H"	44.998201
"357324"	1635.228251	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+Hac-H"	59.013851
"1498867"	847.121051	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Hac-H"	59.013851
"971880"	855.087351	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-H+NaCOOH"	66.980151
"125164"	823.076602	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+2Cl"	69.938804
"563638"	1217.130202	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+2Cl"	69.938804
"1035718"	429.023002	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2Cl"	69.938804
"1253470"	867.026085	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Br"	78.918885
"1312273"	869.082072	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl+HCOOH"	80.974872
"1330861"	891.064029	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl+NaCOOH"	102.956829
"923014"	901.092786	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M-H+CF3COOH"	112.985586
"1302274"	937.069464	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl+CF3COOH"	148.962264
"1378247"	753.094524	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H-2H2O"	-35.012676
"1397567"	771.1045	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H-H2O"	-17.0027
"297617"	1577.221676	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+H"	1.007276
"688945"	2365.328876	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+H"	1.007276
"1364567"	789.114476	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H"	1.007276
"138915"	789.114476	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+2H"	2.014552
"577015"	1183.168076	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+2H"	2.014552
"1045085"	395.060876	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2H"	2.014552
"208610"	526.412076	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+3H"	3.021828
"659119"	789.114476	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+3H"	3.021828
"1177973"	263.709676	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+3H"	3.021828
"438692"	1594.248223	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+NH4"	18.033823
"799324"	2382.355423	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+NH4"	18.033823
"1693466"	806.141023	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+NH4"	18.033823
"340652"	797.6277495	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+H+NH4"	19.041099
"735260"	1191.6813495	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+H+NH4"	19.041099
"1489810"	403.5741495	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H+NH4"	19.041099
"399011"	1599.203618	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+Na"	22.989218
"761100"	2387.310818	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+Na"	22.989218
"1611384"	811.096418	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Na"	22.989218
"322516"	800.105447	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+H+Na"	23.996494
"719311"	1194.159047	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+H+Na"	23.996494
"1468760"	406.051847	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H+Na"	23.996494
"1064193"	271.03699	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2H+Na"	25.00377
"1266966"	821.140686	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+CH3OH+H"	33.033486
"388820"	1615.177558	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+K"	38.963158
"752004"	2403.284758	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+K"	38.963158
"1552964"	827.070358	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+K"	38.963158
"311599"	808.092417	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+H+K"	39.970434
"700376"	1202.146017	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+H+K"	39.970434
"1457479"	414.038817	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H+K"	39.970434
"243894"	1618.248226	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+ACN+H"	42.033826
"1222070"	830.141026	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+ACN+H"	42.033826
"1203768"	415.574151	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+ACN+2H"	43.041102
"197730"	1621.18556	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+2Na-H"	44.97116
"640206"	2409.29276	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+2Na-H"	44.97116
"1142981"	833.07836	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2Na-H"	44.97116
"181898"	811.096418	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+2Na"	45.978436
"619274"	1205.150018	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+2Na"	45.978436
"1122781"	417.042818	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2Na"	45.978436
"1406304"	278.364304	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H+2Na"	46.985712
"1435140"	835.119946	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H+HCOOH"	47.012746
"221915"	816.12944	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+3H2O+2H"	56.04448
"1513261"	849.17199	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+IsoProp+H"	61.06479
"415862"	819.083388	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+Na+K"	61.952376
"774303"	1213.136988	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+Na+K"	61.952376
"1668812"	425.029788	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Na+K"	61.952376
"257155"	1640.230168	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+ACN+Na"	64.015768
"1229504"	852.122968	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+ACN+Na"	64.015768
"1721316"	852.146493	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+NH4+HCOOH"	64.039293
"1182660"	285.691618	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+3Na"	68.967654
"1650605"	857.101888	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Na+HCOOH"	68.994688
"158805"	1653.13344	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+2K-H"	76.91904
"602982"	2441.24064	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+2K-H"	76.91904
"1086034"	865.02624	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2K-H"	76.91904
"142973"	827.070358	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"2M+2K"	77.926316
"582776"	1221.123958	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"3M+2K"	77.926316
"1069961"	433.016758	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2K"	77.926316
"1102686"	867.040792	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2K+H"	78.933592
"1337006"	867.128407	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+DMSO+H"	79.021207
"1010886"	871.167576	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2ACN+H"	83.060376
"1525730"	872.161208	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+IsoProp+Na+H"	84.054008
"996554"	436.087426	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+2ACN+2H"	84.067652
"1593245"	873.075828	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+K+HCOOH"	84.968628
"1421092"	903.107338	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+H+CF3COOH"	115.000138
"1159038"	456.600701	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+3ACN+2H"	125.094202
"1706402"	920.133885	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+NH4+CF3COOH"	132.026685
"1649469"	925.08928	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+Na+CF3COOH"	136.98208
"1585359"	941.06322	"C04516"	"1236-Tetrakis-O-galloyl-beta-D-glucose;1236-Tetra-O-galloyl-beta-D-glucose"	"C34H28O22"	"788.1072"	"M+K+CF3COOH"	152.95602
"806976"	332.2351	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M"	0
"982696"	313.21671	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"76772"	220.482790666667	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"514876"	331.227824	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"890489"	109.737757333333	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"6878"	331.227824	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"446440"	497.345374	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"827524"	165.110274	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"86426"	663.462924	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"528174"	995.698024	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"902694"	331.227824	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"53790"	680.489471	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"494443"	1012.724571	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"877471"	348.254371	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"45494"	685.444866	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"478616"	1017.679966	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"851680"	353.209766	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1618778"	353.209766	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"95552"	349.216163	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"537668"	515.333713	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"931183"	183.098613	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"273023"	699.439602	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"668726"	1031.674702	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1281132"	367.204502	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"26969"	701.418806	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"462156"	1033.653906	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"841050"	369.183706	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1563443"	369.183706	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"953514"	377.233294	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"370635"	709.468401	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"351237"	723.484051	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1507856"	391.248951	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"973097"	399.215251	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"124191"	367.204502	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"563747"	533.322052	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1032543"	201.086952	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1248840"	411.153985	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1309102"	413.209972	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1332065"	435.191929	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"922029"	445.220686	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1297644"	481.197364	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1373616"	297.222424	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1394759"	315.2324	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"297729"	665.477476	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"690148"	997.712576	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1364676"	333.242376	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"137563"	333.242376	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"573113"	499.359926	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1043006"	167.124826	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"209816"	222.497342666667	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"653754"	333.242376	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1175526"	111.752309333333	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"438071"	682.504023	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"797611"	1014.739123	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1692484"	350.268923	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"342950"	341.7556495	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"732818"	507.8731995	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1487370"	175.6380995	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"403497"	687.459418	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"761210"	1019.694518	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1612587"	355.224318	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"321533"	344.233347	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"713954"	510.350897	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1469962"	178.115797	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1063209"	119.079623333333	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1269994"	365.268586	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"388200"	703.433358	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"743736"	1035.668458	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1547610"	371.198258	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"305879"	352.220317	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"697207"	518.337867	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1453215"	186.102767	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"245099"	706.504026	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1219989"	374.268926	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1197677"	187.638101	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"197838"	709.44136	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"636305"	1041.67646	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1143093"	377.20626	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"183102"	355.224318	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"615007"	521.341868	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1118511"	189.106768	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1403132"	126.406937333333	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1432687"	379.247846	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"222017"	360.25734	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1509835"	393.29989	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"409039"	363.211288	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"770440"	529.328838	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1670379"	197.093738	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"256544"	728.485968	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1226706"	396.250868	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1717051"	396.274393	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1182769"	133.734251333333	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1650473"	401.229788	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"164625"	741.38924	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"598352"	1073.62434	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1084319"	409.15414	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"141497"	371.198258	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"585073"	537.315808	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1069342"	205.080708	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1100159"	411.168692	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1342470"	411.256307	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1012094"	415.295476	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1534593"	416.289108	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"995573"	208.151376	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1595545"	417.203728	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1427770"	447.235238	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1155870"	228.664651	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1710890"	464.261785	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1647633"	469.21718	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1585469"	485.19112	"C04518"	"17alpha20alpha-Dihydroxypregn-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"805993"	499.9287	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M"	0
"986087"	480.91031	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H2O-H"	-19.01839
"74329"	332.278524	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-3H"	-3.021828
"517173"	498.921424	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-3H"	-3.021828
"891694"	165.635624	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-3H"	-3.021828
"6988"	498.921424	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H"	-2.014552
"448737"	748.885774	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H"	-2.014552
"830916"	248.957074	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H"	-2.014552
"90908"	998.850124	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H"	-1.007276
"530471"	1498.778824	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H"	-1.007276
"909611"	498.921424	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H"	-1.007276
"57179"	1015.876671	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+NH4"	16.019271
"492366"	1515.805371	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+NH4"	16.019271
"877823"	515.947971	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+NH4"	16.019271
"40621"	1020.832066	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+Na"	20.974666
"478725"	1520.760766	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+Na"	20.974666
"849238"	520.903366	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+Na"	20.974666
"1619496"	520.903366	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na-2H"	20.974666
"95054"	516.909763	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H+Cl"	33.962126
"535591"	766.874113	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H+Cl"	33.962126
"927319"	266.945413	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+Cl"	33.962126
"274226"	1034.826802	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Cl"	34.969402
"663370"	1534.755502	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Cl"	34.969402
"1279055"	534.898102	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl"	34.969402
"23799"	1036.806006	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+K"	36.948606
"462263"	1536.734706	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+K"	36.948606
"833054"	536.877306	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+K"	36.948606
"1562459"	536.877306	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K-2H"	36.948606
"952530"	544.926894	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+HCOOH"	44.998194
"369651"	1044.855601	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+HCOOH-H"	44.998201
"350253"	1058.871251	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Hac-H"	59.013851
"1506387"	558.942551	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Hac-H"	59.013851
"972472"	566.908851	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+NaCOOH"	66.980151
"123928"	534.898102	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Cl"	69.938804
"562758"	784.862452	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Cl"	69.938804
"1033748"	284.933752	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Cl"	69.938804
"1248951"	578.847585	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Br"	78.918885
"1311399"	580.903572	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+HCOOH"	80.974872
"1331081"	602.885529	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+NaCOOH"	102.956829
"917765"	612.914286	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+CF3COOH"	112.985586
"1293380"	648.890964	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+CF3COOH"	148.962264
"1371540"	464.916024	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-2H2O"	-35.012676
"1395233"	482.926	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-H2O"	-17.0027
"297107"	1000.864676	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H"	1.007276
"689894"	1500.793376	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H"	1.007276
"1364420"	500.935976	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H"	1.007276
"136944"	500.935976	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2H"	2.014552
"574316"	750.900326	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2H"	2.014552
"1040929"	250.971626	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H"	2.014552
"209926"	334.293076	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H"	3.021828
"653864"	500.935976	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+3H"	3.021828
"1173084"	167.650176	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3H"	3.021828
"437087"	1017.891223	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+NH4"	18.033823
"798086"	1517.819923	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+NH4"	18.033823
"1692959"	517.962523	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4"	18.033823
"342328"	509.4492495	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+NH4"	19.041099
"733657"	759.4135995	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+NH4"	19.041099
"1488573"	259.4848995	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+NH4"	19.041099
"404700"	1022.846618	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na"	22.989218
"762413"	1522.775318	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na"	22.989218
"1612697"	522.917918	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na"	22.989218
"326017"	511.926947	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+Na"	23.996494
"716251"	761.891297	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+Na"	23.996494
"1470802"	261.962597	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+Na"	23.996494
"1063319"	174.97749	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H+Na"	25.00377
"1270954"	532.962186	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+CH3OH+H"	33.033486
"389040"	1038.820558	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+K"	38.963158
"745668"	1538.749258	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+K"	38.963158
"1548812"	538.891858	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K"	38.963158
"309632"	519.913917	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+K"	39.970434
"699503"	769.878267	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+K"	39.970434
"1455147"	269.949567	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+K"	39.970434
"247396"	1041.891226	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+H"	42.033826
"1219007"	541.962526	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+H"	42.033826
"1199610"	271.484901	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+2H"	43.041102
"199041"	1044.82856	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na-H"	44.97116
"637508"	1544.75726	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na-H"	44.97116
"1141016"	544.89986	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na-H"	44.97116
"182119"	522.917918	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na"	45.978436
"615118"	772.882268	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na"	45.978436
"1117527"	272.953568	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na"	45.978436
"1403242"	182.304804	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+2Na"	46.985712
"1433890"	546.941446	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+HCOOH"	47.012746
"221763"	527.95094	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H2O+2H"	56.04448
"1509341"	560.99349	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+H"	61.06479
"410244"	530.904888	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na+K"	61.952376
"770631"	780.869238	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na+K"	61.952376
"1668303"	280.940538	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+K"	61.952376
"254467"	1063.873168	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+Na"	64.015768
"1227547"	563.944468	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+Na"	64.015768
"1717163"	563.967993	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+HCOOH"	64.039293
"1182516"	189.632118	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3Na"	68.967654
"1654595"	568.923388	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+HCOOH"	68.994688
"161455"	1076.77644	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K-H"	76.91904
"597246"	1576.70514	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K-H"	76.91904
"1084251"	576.84774	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K-H"	76.91904
"142262"	538.891858	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K"	77.926316
"584091"	788.856208	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K"	77.926316
"1071884"	288.927508	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K"	77.926316
"1099994"	578.862292	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K+H"	78.933592
"1342580"	578.949907	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+DMSO+H"	79.021207
"1013297"	582.989076	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+H"	83.060376
"1533610"	583.982708	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+Na+H"	84.054008
"1000058"	291.998176	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+2H"	84.067652
"1595655"	584.897328	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+HCOOH"	84.968628
"1427879"	614.928838	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+CF3COOH"	115.000138
"1158166"	312.511451	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3ACN+2H"	125.094202
"1709905"	631.955385	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+CF3COOH"	132.026685
"1649565"	636.91078	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+CF3COOH"	136.98208
"1585579"	652.88472	"C04520"	"1D-myo-Inositol 3456-tetrakisphosphate;D-myo-Inositol 3456-tetrakisphosphate;Inositol 3456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+CF3COOH"	152.95602
"806103"	291.0954	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M"	0
"982916"	272.07701	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H2O-H"	-19.01839
"74439"	193.056324	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-3H"	-3.021828
"516919"	290.088124	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-3H"	-3.021828
"894477"	96.024524	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-3H"	-3.021828
"13660"	290.088124	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H"	-2.014552
"451034"	435.635824	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H"	-2.014552
"832491"	144.540424	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H"	-2.014552
"93814"	581.183524	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-H"	-1.007276
"533138"	872.278924	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-H"	-1.007276
"910209"	290.088124	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H"	-1.007276
"62152"	598.210071	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H+NH4"	16.019271
"502441"	889.305471	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H+NH4"	16.019271
"879155"	307.114671	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H+NH4"	16.019271
"46565"	603.165466	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H+Na"	20.974666
"483210"	894.260866	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H+Na"	20.974666
"853360"	312.070066	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H+Na"	20.974666
"1619976"	312.070066	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na-2H"	20.974666
"95411"	308.076463	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-H+Cl"	33.962126
"538982"	453.624163	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-H+Cl"	33.962126
"930310"	162.528763	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+Cl"	33.962126
"278710"	617.160202	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Cl"	34.969402
"670041"	908.255602	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+Cl"	34.969402
"1280259"	326.064802	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl"	34.969402
"26096"	619.139406	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H+K"	36.948606
"465653"	910.234806	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H+K"	36.948606
"837987"	328.044006	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H+K"	36.948606
"1560381"	328.044006	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K-2H"	36.948606
"954099"	336.093594	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+HCOOH"	44.998194
"372313"	627.189001	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+HCOOH-H"	44.998201
"354737"	641.204651	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Hac-H"	59.013851
"1508196"	350.109251	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Hac-H"	59.013851
"972839"	358.075551	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+NaCOOH"	66.980151
"122582"	326.064802	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2Cl"	69.938804
"560683"	471.612502	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2Cl"	69.938804
"1034225"	180.517102	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2Cl"	69.938804
"1252342"	370.014285	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Br"	78.918885
"1315883"	372.070272	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl+HCOOH"	80.974872
"1334473"	394.052229	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl+NaCOOH"	102.956829
"925530"	404.080986	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+CF3COOH"	112.985586
"1301874"	440.057664	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl+CF3COOH"	148.962264
"1378211"	256.082724	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H-2H2O"	-35.012676
"1395707"	274.0927	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H-H2O"	-17.0027
"297947"	583.198076	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H"	1.007276
"690370"	874.293476	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H"	1.007276
"1364895"	292.102676	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H"	1.007276
"139240"	292.102676	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2H"	2.014552
"574427"	437.650376	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2H"	2.014552
"1043226"	146.554976	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2H"	2.014552
"213316"	195.070876	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+3H"	3.021828
"658957"	292.102676	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+3H"	3.021828
"1175382"	98.039076	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+3H"	3.021828
"436833"	600.224623	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+NH4"	18.033823
"799288"	891.320023	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+NH4"	18.033823
"1695616"	309.129223	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+NH4"	18.033823
"344623"	300.6159495	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H+NH4"	19.041099
"735951"	446.1636495	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H+NH4"	19.041099
"1488317"	155.0682495	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+NH4"	19.041099
"399342"	605.180018	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Na"	22.989218
"760336"	896.275418	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+Na"	22.989218
"1610622"	314.084618	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na"	22.989218
"320659"	303.093647	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H+Na"	23.996494
"717452"	448.641347	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H+Na"	23.996494
"1471274"	157.545947	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+Na"	23.996494
"1062333"	105.36639	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2H+Na"	25.00377
"1267657"	324.128886	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+CH3OH+H"	33.033486
"386597"	621.153958	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+K"	38.963158
"749050"	912.249358	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+K"	38.963158
"1551107"	330.058558	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K"	38.963158
"309375"	311.080617	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H+K"	39.970434
"703986"	456.628317	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H+K"	39.970434
"1457809"	165.532917	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+K"	39.970434
"247502"	624.224626	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+ACN+H"	42.033826
"1221301"	333.129226	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+ACN+H"	42.033826
"1205187"	167.068251	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+ACN+2H"	43.041102
"199150"	627.16196	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2Na-H"	44.97116
"640897"	918.25736	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2Na-H"	44.97116
"1144404"	336.06656	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2Na-H"	44.97116
"178949"	314.084618	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2Na"	45.978436
"616324"	459.632318	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2Na"	45.978436
"1119828"	168.536918	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2Na"	45.978436
"1401166"	112.693704	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+2Na"	46.985712
"1434000"	338.108146	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+HCOOH"	47.012746
"221630"	319.11764	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+3H2O+2H"	56.04448
"1512127"	352.16019	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+IsoProp+H"	61.06479
"414000"	322.071588	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Na+K"	61.952376
"771107"	467.619288	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+Na+K"	61.952376
"1669508"	176.523888	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na+K"	61.952376
"254577"	646.206568	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+ACN+Na"	64.015768
"1231667"	355.111168	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+ACN+Na"	64.015768
"1715450"	355.134693	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+NH4+HCOOH"	64.039293
"1191373"	120.021018	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+3Na"	68.967654
"1656892"	360.090088	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na+HCOOH"	68.994688
"164845"	659.10984	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2K-H"	76.91904
"602218"	950.20524	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2K-H"	76.91904
"1084343"	368.01444	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2K-H"	76.91904
"142575"	330.058558	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2K"	77.926316
"584567"	475.606258	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2K"	77.926316
"1073088"	184.510858	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2K"	77.926316
"1101922"	370.028992	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2K+H"	78.933592
"1347063"	370.116607	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+DMSO+H"	79.021207
"1017783"	374.155776	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2ACN+H"	83.060376
"1533720"	375.149408	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+IsoProp+Na+H"	84.054008
"999074"	187.581526	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2ACN+2H"	84.067652
"1595765"	376.064028	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K+HCOOH"	84.968628
"1427989"	406.095538	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+CF3COOH"	115.000138
"1157183"	208.094801	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+3ACN+2H"	125.094202
"1710015"	423.122085	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+NH4+CF3COOH"	132.026685
"1647852"	428.07748	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na+CF3COOH"	136.98208
"1585689"	444.05142	"C04521"	"27-Anhydro-alpha-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K+CF3COOH"	152.95602
"814963"	175.9876	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M"	0
"985214"	156.96921	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-H2O-H"	-19.01839
"72365"	116.317790666667	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M-3H"	-3.021828
"513019"	174.980324	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M-3H"	-3.021828
"895195"	57.6552573333333	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-3H"	-3.021828
"8304"	174.980324	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M-2H"	-2.014552
"446770"	262.974124	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M-2H"	-2.014552
"832233"	86.986524	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-2H"	-2.014552
"91131"	350.967924	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M-H"	-1.007276
"533614"	526.955524	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M-H"	-1.007276
"911134"	174.980324	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-H"	-1.007276
"62509"	367.994471	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M-2H+NH4"	16.019271
"502811"	543.982071	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M-2H+NH4"	16.019271
"879754"	192.006871	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-2H+NH4"	16.019271
"47045"	372.949866	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M-2H+Na"	20.974666
"485506"	548.937466	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M-2H+Na"	20.974666
"854563"	196.962266	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-2H+Na"	20.974666
"1621908"	196.962266	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Na-2H"	20.974666
"101717"	192.968663	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M-H+Cl"	33.962126
"542372"	280.962463	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M-H+Cl"	33.962126
"930420"	104.974863	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-H+Cl"	33.962126
"276634"	386.944602	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+Cl"	34.969402
"664684"	562.932202	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+Cl"	34.969402
"1279275"	210.957002	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Cl"	34.969402
"25110"	388.923806	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M-2H+K"	36.948606
"469043"	564.911406	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M-2H+K"	36.948606
"841376"	212.936206	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-2H+K"	36.948606
"1567050"	212.936206	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+K-2H"	36.948606
"951653"	220.985794	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-H+HCOOH"	44.998194
"376271"	396.973401	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+HCOOH-H"	44.998201
"359709"	410.989051	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+Hac-H"	59.013851
"1498575"	235.001451	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Hac-H"	59.013851
"974164"	242.967751	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-H+NaCOOH"	66.980151
"125251"	210.957002	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+2Cl"	69.938804
"565133"	298.950802	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+2Cl"	69.938804
"1031780"	122.963202	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2Cl"	69.938804
"1255371"	254.906485	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Br"	78.918885
"1317820"	256.962472	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Cl+HCOOH"	80.974872
"1330209"	278.944429	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Cl+NaCOOH"	102.956829
"921266"	288.973186	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M-H+CF3COOH"	112.985586
"1303402"	324.949864	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Cl+CF3COOH"	148.962264
"1381969"	140.974924	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H-2H2O"	-35.012676
"1397968"	158.9849	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H-H2O"	-17.0027
"294413"	352.982476	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+H"	1.007276
"689387"	528.970076	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+H"	1.007276
"1363184"	176.994876	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H"	1.007276
"140448"	176.994876	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+2H"	2.014552
"577456"	264.988676	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+2H"	2.014552
"1049901"	89.001076	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2H"	2.014552
"213425"	118.332342666667	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+3H"	3.021828
"658824"	176.994876	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+3H"	3.021828
"1175127"	59.6698093333333	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+3H"	3.021828
"436214"	370.009023	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+NH4"	18.033823
"799035"	545.996623	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+NH4"	18.033823
"1694633"	194.021423	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+NH4"	18.033823
"339997"	185.5081495	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+H+NH4"	19.041099
"735696"	273.5019495	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+H+NH4"	19.041099
"1485147"	97.5143495	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H+NH4"	19.041099
"404194"	374.964418	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+Na"	22.989218
"768712"	550.952018	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+Na"	22.989218
"1609640"	198.976818	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Na"	22.989218
"320769"	187.985847	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+H+Na"	23.996494
"715379"	275.979647	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+H+Na"	23.996494
"1470292"	99.992047	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H+Na"	23.996494
"1063538"	66.9971233333333	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2H+Na"	25.00377
"1269226"	209.021086	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+CH3OH+H"	33.033486
"385977"	390.938358	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+K"	38.963158
"750256"	566.925958	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+K"	38.963158
"1551213"	214.950758	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+K"	38.963158
"311675"	195.972817	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+H+K"	39.970434
"706283"	283.966617	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+H+K"	39.970434
"1460105"	107.979017	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H+K"	39.970434
"250776"	394.009026	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+ACN+H"	42.033826
"1221413"	218.021426	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+ACN+H"	42.033826
"1205297"	109.514351	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+ACN+2H"	43.041102
"199261"	396.94636	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+2Na-H"	44.97116
"643197"	572.93396	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+2Na-H"	44.97116
"1139049"	220.95876	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2Na-H"	44.97116
"179059"	198.976818	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+2Na"	45.978436
"618252"	286.970618	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+2Na"	45.978436
"1123215"	110.983018	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2Na"	45.978436
"1403461"	74.3244373333333	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H+2Na"	46.985712
"1431558"	223.000346	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H+HCOOH"	47.012746
"221984"	204.00984	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+3H2O+2H"	56.04448
"1511141"	237.05239	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+IsoProp+H"	61.06479
"411193"	206.963788	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+Na+K"	61.952376
"772919"	294.957588	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+Na+K"	61.952376
"1670709"	118.969988	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Na+K"	61.952376
"254687"	415.990968	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+ACN+Na"	64.015768
"1229590"	240.003368	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+ACN+Na"	64.015768
"1716289"	240.026893	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+NH4+HCOOH"	64.039293
"1189296"	81.6517513333333	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+3Na"	68.967654
"1658095"	244.982288	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Na+HCOOH"	68.994688
"164955"	428.89424	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+2K-H"	76.91904
"602328"	604.88184	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+2K-H"	76.91904
"1086479"	252.90664	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2K-H"	76.91904
"143414"	214.950758	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"2M+2K"	77.926316
"583583"	302.944558	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"3M+2K"	77.926316
"1074292"	126.956958	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2K"	77.926316
"1103125"	254.921192	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2K+H"	78.933592
"1346080"	255.008807	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+DMSO+H"	79.021207
"1016799"	259.047976	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2ACN+H"	83.060376
"1532736"	260.041608	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+IsoProp+Na+H"	84.054008
"999184"	130.027626	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+2ACN+2H"	84.067652
"1595875"	260.956228	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+K+HCOOH"	84.968628
"1428099"	290.987738	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+H+CF3COOH"	115.000138
"1157293"	150.540901	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+3ACN+2H"	125.094202
"1707939"	308.014285	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+NH4+CF3COOH"	132.026685
"1647965"	312.96968	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+Na+CF3COOH"	136.98208
"1585800"	328.94362	"C04522"	"2-Chloro-25-dihydro-5-oxofuran-2-acetate;5-Chloro-25-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-25-dihydrofuran-2-acetate;(2R)-2-Chloro-25-dihydro-5-oxofuran-2-acetate;()-4-Chloromuconolactone"	"C6H5ClO4"	"175.9876"	"M+K+CF3COOH"	152.95602
"805230"	306.0376	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M"	0
"974668"	287.01921	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-H2O-H"	-19.01839
"71380"	203.017790666667	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M-3H"	-3.021828
"509846"	305.030324	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M-3H"	-3.021828
"889837"	101.005257333333	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-3H"	-3.021828
"9507"	305.030324	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M-2H"	-2.014552
"447973"	458.049124	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M-2H"	-2.014552
"827963"	152.011524	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-2H"	-2.014552
"93551"	611.067924	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M-H"	-1.007276
"534092"	917.105524	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M-H"	-1.007276
"911243"	305.030324	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-H"	-1.007276
"62704"	628.094471	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M-2H+NH4"	16.019271
"502745"	934.132071	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M-2H+NH4"	16.019271
"879698"	322.056871	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-2H+NH4"	16.019271
"46960"	633.049866	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M-2H+Na"	20.974666
"485860"	939.087466	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M-2H+Na"	20.974666
"859047"	327.012266	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-2H+Na"	20.974666
"1626394"	327.012266	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Na-2H"	20.974666
"98549"	323.018663	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M-H+Cl"	33.962126
"540296"	476.037463	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M-H+Cl"	33.962126
"939279"	169.999863	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-H+Cl"	33.962126
"277837"	647.044602	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+Cl"	34.969402
"666980"	953.082202	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+Cl"	34.969402
"1278291"	341.007002	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Cl"	34.969402
"26315"	649.023806	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M-2H+K"	36.948606
"463687"	955.061406	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M-2H+K"	36.948606
"840395"	342.986206	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-2H+K"	36.948606
"1564976"	342.986206	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+K-2H"	36.948606
"954682"	351.035794	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-H+HCOOH"	44.998194
"374356"	657.073401	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+HCOOH-H"	44.998201
"358968"	671.089051	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+Hac-H"	59.013851
"1497956"	365.051451	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Hac-H"	59.013851
"973173"	373.017751	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-H+NaCOOH"	66.980151
"124998"	341.007002	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+2Cl"	69.938804
"564920"	494.025802	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+2Cl"	69.938804
"1032983"	187.988202	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2Cl"	69.938804
"1256210"	384.956485	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Br"	78.918885
"1318291"	387.012472	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Cl+HCOOH"	80.974872
"1333235"	408.994429	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Cl+NaCOOH"	102.956829
"918096"	419.023186	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M-H+CF3COOH"	112.985586
"1302094"	454.999864	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Cl+CF3COOH"	148.962264
"1380985"	271.024924	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H-2H2O"	-35.012676
"1398203"	289.0349	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H-H2O"	-17.0027
"295981"	613.082476	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+H"	1.007276
"689133"	919.120076	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+H"	1.007276
"1365483"	307.044876	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H"	1.007276
"140194"	307.044876	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+2H"	2.014552
"579026"	460.063676	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+2H"	2.014552
"1050375"	154.026076	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2H"	2.014552
"212441"	205.032342666667	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+3H"	3.021828
"657111"	307.044876	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+3H"	3.021828
"1173051"	103.019809333333	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+3H"	3.021828
"439120"	630.109023	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+NH4"	18.033823
"800604"	936.146623	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+NH4"	18.033823
"1694380"	324.071423	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+NH4"	18.033823
"343754"	315.5581495	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+H+NH4"	19.041099
"735808"	468.5769495	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+H+NH4"	19.041099
"1487444"	162.5393495	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H+NH4"	19.041099
"406856"	635.064418	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+Na"	22.989218
"767486"	941.102018	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+Na"	22.989218
"1608657"	329.026818	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Na"	22.989218
"318693"	318.035847	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+H+Na"	23.996494
"714395"	471.054647	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+H+Na"	23.996494
"1471495"	165.017047	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H+Na"	23.996494
"1065835"	110.347123333333	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2H+Na"	25.00377
"1268607"	339.071086	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+CH3OH+H"	33.033486
"383901"	651.038358	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+K"	38.963158
"749273"	957.075958	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+K"	38.963158
"1551323"	345.000758	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+K"	38.963158
"309595"	326.022817	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+H+K"	39.970434
"702018"	479.041617	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+H+K"	39.970434
"1459120"	173.004017	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H+K"	39.970434
"250277"	654.109026	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+ACN+H"	42.033826
"1219337"	348.071426	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+ACN+H"	42.033826
"1203220"	174.539351	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+ACN+2H"	43.041102
"199370"	657.04636	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+2Na-H"	44.97116
"635652"	963.08396	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+2Na-H"	44.97116
"1136971"	351.00876	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2Na-H"	44.97116
"181353"	329.026818	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+2Na"	45.978436
"618723"	482.045618	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+2Na"	45.978436
"1121138"	176.008018	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2Na"	45.978436
"1402475"	117.674437333333	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H+2Na"	46.985712
"1431304"	353.050346	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H+HCOOH"	47.012746
"220635"	334.05984	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+3H2O+2H"	56.04448
"1509061"	367.10239	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+IsoProp+H"	61.06479
"409481"	337.013788	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+Na+K"	61.952376
"770843"	490.032588	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+Na+K"	61.952376
"1668997"	183.994988	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Na+K"	61.952376
"256984"	676.090968	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+ACN+Na"	64.015768
"1235168"	370.053368	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+ACN+Na"	64.015768
"1720775"	370.076893	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+NH4+HCOOH"	64.039293
"1187221"	125.001751333333	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+3Na"	68.967654
"1660394"	375.032288	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Na+HCOOH"	68.994688
"166161"	688.99424	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+2K-H"	76.91904
"605720"	995.03184	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+2K-H"	76.91904
"1087681"	382.95664	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2K-H"	76.91904
"144863"	345.000758	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"2M+2K"	77.926316
"584422"	498.019558	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"3M+2K"	77.926316
"1073307"	191.981958	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2K"	77.926316
"1106517"	384.971192	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2K+H"	78.933592
"1346190"	385.058807	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+DMSO+H"	79.021207
"1018002"	389.097976	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2ACN+H"	83.060376
"1537587"	390.091608	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+IsoProp+Na+H"	84.054008
"999294"	195.052626	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+2ACN+2H"	84.067652
"1601090"	391.006228	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+K+HCOOH"	84.968628
"1428210"	421.037738	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+H+CF3COOH"	115.000138
"1159591"	215.565901	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+3ACN+2H"	125.094202
"1712304"	438.064285	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+NH4+CF3COOH"	132.026685
"1649412"	443.01968	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+Na+CF3COOH"	136.98208
"1585910"	458.99362	"C04524"	"2-Protocatechoylphloroglucinolcarboxylate;2-(34-Dihydroxybenzoyloxy)-46-dihydroxybenzoate"	"C14H10O8"	"306.0376"	"M+K+CF3COOH"	152.95602
"808620"	398.3549	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M"	0
"978870"	379.33651	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"71489"	264.562657333333	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"509955"	397.347624	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"889944"	131.777690666667	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"6333"	397.347624	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"448082"	596.525074	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"822605"	198.170174	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"91716"	795.702524	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"533221"	1194.057424	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"911024"	397.347624	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"61874"	812.729071	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"501188"	1211.083971	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"878869"	414.374171	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"43975"	817.684466	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"485363"	1216.039366	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"858065"	419.329566	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1628691"	419.329566	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"96472"	415.335963	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"540406"	614.513413	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"938295"	216.158513	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"276854"	831.679202	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"670369"	1230.034102	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1280584"	433.324302	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"19863"	833.658406	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"463797"	1232.013306	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"845607"	435.303506	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1566179"	435.303506	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"954061"	443.353094	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"373737"	841.708001	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"358714"	855.723651	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1497338"	457.368751	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"973891"	465.335051	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"125065"	433.324302	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"565028"	632.501752	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1033093"	234.146852	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1256320"	477.273785	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1316942"	479.329772	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1332251"	501.311729	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"919299"	511.340486	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1303299"	547.317164	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1382189"	363.342224	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1397864"	381.3522	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"296820"	797.717076	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"688148"	1196.071976	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1365957"	399.362176	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H"	1.007276
"139940"	399.362176	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"580839"	598.539626	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1050485"	200.184726	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"213645"	266.577209333333	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"656494"	399.362176	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1175713"	133.792242666667	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"438258"	814.743623	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"800350"	1213.098523	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1695827"	416.388723	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"343500"	407.8754495	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"735918"	607.0528995	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1487554"	208.6979995	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"408061"	819.699018	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"767596"	1218.053918	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1608767"	421.344118	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"322081"	410.353147	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"712319"	609.530597	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1467232"	211.175697	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1061571"	141.119556666667	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1266531"	431.388386	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"385105"	835.672958	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"747197"	1234.027858	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1548155"	437.318058	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+K"	38.963158
"307519"	418.340117	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"699941"	617.517567	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1455950"	219.162667	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"247834"	838.743626	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1218355"	440.388726	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1200050"	220.698001	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"198387"	841.68096	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"636854"	1240.03586	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1135986"	443.32606	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"181462"	421.344118	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"616280"	620.521568	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1119422"	222.166668	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1401123"	148.446870666667	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1432142"	445.367646	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"221109"	426.37714	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1510631"	459.41969	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"408858"	429.331088	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"770376"	628.508538	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1666555"	230.153638	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"256001"	860.725568	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1231998"	462.370668	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1719791"	462.394193	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1187331"	155.774184666667	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1659411"	467.349588	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"169551"	873.62884	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"603644"	1271.98374	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1088158"	475.27394	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"146066"	437.318058	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"585627"	636.495508	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1073417"	238.140608	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1106627"	477.288492	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1346300"	477.376107	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1018112"	481.415276	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1535144"	482.408908	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"998311"	241.211276	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1597191"	483.323528	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1428320"	513.355038	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1159701"	261.724551	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1712171"	530.381585	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1649277"	535.33698	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1586020"	551.31092	"C04525"	"Fecosterol;24-Methylene-5alpha-cholest-8-en-3beta-ol"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"806543"	647.2527	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M"	0
"974523"	628.23431	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H2O-H"	-19.01839
"64308"	430.494524	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-3H"	-3.021828
"507878"	646.245424	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-3H"	-3.021828
"887868"	214.743624	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-3H"	-3.021828
"6442"	646.245424	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H"	-2.014552
"446005"	969.871774	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H"	-2.014552
"820161"	322.619074	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H"	-2.014552
"92071"	1293.498124	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-H"	-1.007276
"532968"	1940.750824	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-H"	-1.007276
"910162"	646.245424	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H"	-1.007276
"62108"	1310.524671	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H+NH4"	16.019271
"500329"	1957.777371	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H+NH4"	16.019271
"877035"	663.271971	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H+NH4"	16.019271
"43964"	1315.480066	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H+Na"	20.974666
"484745"	1962.732766	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H+Na"	20.974666
"858175"	668.227366	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H+Na"	20.974666
"1626614"	668.227366	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na-2H"	20.974666
"96582"	664.233763	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-H+Cl"	33.962126
"542703"	987.860113	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-H+Cl"	33.962126
"930751"	340.607413	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+Cl"	33.962126
"278056"	1329.474802	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Cl"	34.969402
"669385"	1976.727502	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+Cl"	34.969402
"1280694"	682.222102	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl"	34.969402
"21066"	1331.454006	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M-2H+K"	36.948606
"463907"	1978.706706	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M-2H+K"	36.948606
"839521"	684.201306	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-2H+K"	36.948606
"1566289"	684.201306	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K-2H"	36.948606
"950891"	692.250894	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+HCOOH"	44.998194
"372387"	1339.503601	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+HCOOH-H"	44.998201
"359189"	1353.519251	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Hac-H"	59.013851
"1496354"	706.266551	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Hac-H"	59.013851
"974108"	714.232851	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+NaCOOH"	66.980151
"125214"	682.222102	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2Cl"	69.938804
"565263"	1005.848452	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2Cl"	69.938804
"1033203"	358.595752	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2Cl"	69.938804
"1254969"	726.171585	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Br"	78.918885
"1319241"	728.227572	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl+HCOOH"	80.974872
"1329444"	750.209529	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl+NaCOOH"	102.956829
"921596"	760.238286	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M-H+CF3COOH"	112.985586
"1301951"	796.214964	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Cl+CF3COOH"	148.962264
"1381206"	612.240024	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H-2H2O"	-35.012676
"1397614"	630.25	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H-H2O"	-17.0027
"296930"	1295.512676	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H"	1.007276
"689353"	1942.765376	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H"	1.007276
"1364974"	648.259976	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H"	1.007276
"139321"	648.259976	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2H"	2.014552
"579610"	971.886326	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2H"	2.014552
"1051327"	324.633626	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2H"	2.014552
"213753"	432.509076	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+3H"	3.021828
"653320"	648.259976	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+3H"	3.021828
"1174726"	216.758176	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+3H"	3.021828
"433627"	1312.539223	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+NH4"	18.033823
"800091"	1959.791923	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+NH4"	18.033823
"1691682"	665.286523	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+NH4"	18.033823
"341420"	656.7732495	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H+NH4"	19.041099
"733840"	980.3995995	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H+NH4"	19.041099
"1487664"	333.1468995	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+NH4"	19.041099
"406711"	1317.494618	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Na"	22.989218
"768557"	1964.747318	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+Na"	22.989218
"1609970"	670.241918	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na"	22.989218
"318911"	659.250947	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H+Na"	23.996494
"712429"	982.877297	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H+Na"	23.996494
"1468435"	335.624597	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+Na"	23.996494
"1060588"	224.08549	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2H+Na"	25.00377
"1266641"	680.286186	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+CH3OH+H"	33.033486
"385215"	1333.468558	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+K"	38.963158
"747307"	1980.721258	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+K"	38.963158
"1547171"	686.215858	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K"	38.963158
"302890"	667.237917	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+H+K"	39.970434
"701144"	990.864267	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+H+K"	39.970434
"1458247"	343.611567	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+K"	39.970434
"247579"	1336.539226	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+ACN+H"	42.033826
"1218464"	689.286526	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+ACN+H"	42.033826
"1197608"	345.146901	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+ACN+2H"	43.041102
"196311"	1339.47656	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2Na-H"	44.97116
"635871"	1986.72926	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2Na-H"	44.97116
"1136094"	692.22386	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2Na-H"	44.97116
"180478"	670.241918	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2Na"	45.978436
"614931"	993.868268	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2Na"	45.978436
"1118073"	346.615568	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2Na"	45.978436
"1401597"	231.412804	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+2Na"	46.985712
"1431157"	694.265446	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+HCOOH"	47.012746
"220853"	675.27494	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+3H2O+2H"	56.04448
"1511833"	708.31749	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+IsoProp+H"	61.06479
"410426"	678.228888	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+Na+K"	61.952376
"771421"	1001.855238	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+Na+K"	61.952376
"1666258"	354.602538	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na+K"	61.952376
"256111"	1358.521168	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+ACN+Na"	64.015768
"1232107"	711.268468	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+ACN+Na"	64.015768
"1717348"	711.291993	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+NH4+HCOOH"	64.039293
"1186347"	238.740118	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+3Na"	68.967654
"1664988"	716.247388	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na+HCOOH"	68.994688
"167474"	1371.42444	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2K-H"	76.91904
"602661"	2018.67714	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2K-H"	76.91904
"1090455"	724.17174	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2K-H"	76.91904
"145448"	686.215858	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"2M+2K"	77.926316
"585008"	1009.842208	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"3M+2K"	77.926316
"1071342"	362.589508	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2K"	77.926316
"1102363"	726.186292	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2K+H"	78.933592
"1346410"	726.273907	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+DMSO+H"	79.021207
"1018222"	730.313076	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2ACN+H"	83.060376
"1534161"	731.306708	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+IsoProp+Na+H"	84.054008
"997328"	365.660176	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+2ACN+2H"	84.067652
"1596207"	732.221328	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K+HCOOH"	84.968628
"1429789"	762.252838	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+H+CF3COOH"	115.000138
"1161634"	386.173451	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+3ACN+2H"	125.094202
"1712404"	779.279385	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+NH4+CF3COOH"	132.026685
"1649023"	784.23478	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+Na+CF3COOH"	136.98208
"1586130"	800.20872	"C04526"	"3-Deoxydihydrostreptomycin 3-phosphate"	"C21H42N7O14P"	"647.2527"	"M+K+CF3COOH"	152.95602
"806653"	332.0532	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M"	0
"977996"	313.03481	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-H2O-H"	-19.01839
"67333"	220.361524	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M-3H"	-3.021828
"510174"	331.045924	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M-3H"	-3.021828
"891261"	109.677124	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-3H"	-3.021828
"8739"	331.045924	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M-2H"	-2.014552
"447208"	497.072524	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M-2H"	-2.014552
"823918"	165.019324	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-2H"	-2.014552
"92789"	663.099124	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M-H"	-1.007276
"531984"	995.152324	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M-H"	-1.007276
"909662"	331.045924	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-H"	-1.007276
"60517"	680.125671	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M-2H+NH4"	16.019271
"501416"	1012.178871	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M-2H+NH4"	16.019271
"878367"	348.072471	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-2H+NH4"	16.019271
"45658"	685.081066	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M-2H+Na"	20.974666
"482670"	1017.134266	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M-2H+Na"	20.974666
"853912"	353.027866	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-2H+Na"	20.974666
"1623444"	353.027866	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Na-2H"	20.974666
"94870"	349.034263	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M-H+Cl"	33.962126
"540626"	515.060863	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M-H+Cl"	33.962126
"930861"	183.007663	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-H+Cl"	33.962126
"275980"	699.075802	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+Cl"	34.969402
"670589"	1031.129002	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+Cl"	34.969402
"1281899"	367.022602	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Cl"	34.969402
"21176"	701.055006	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M-2H+K"	36.948606
"466204"	1033.108206	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M-2H+K"	36.948606
"839631"	369.001806	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-2H+K"	36.948606
"1567493"	369.001806	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+K-2H"	36.948606
"948814"	377.051394	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-H+HCOOH"	44.998194
"373589"	709.104601	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+HCOOH-H"	44.998201
"358571"	723.120251	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+Hac-H"	59.013851
"1496465"	391.067051	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Hac-H"	59.013851
"973585"	399.033351	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-H+NaCOOH"	66.980151
"125202"	367.022602	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+2Cl"	69.938804
"563423"	533.049202	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+2Cl"	69.938804
"1033315"	200.996002	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2Cl"	69.938804
"1252528"	410.972085	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Br"	78.918885
"1313153"	413.028072	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Cl+HCOOH"	80.974872
"1329192"	435.010029	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Cl+NaCOOH"	102.956829
"917333"	445.038786	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M-H+CF3COOH"	112.985586
"1296229"	481.015464	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Cl+CF3COOH"	148.962264
"1372202"	297.040524	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H-2H2O"	-35.012676
"1393344"	315.0505	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H-H2O"	-17.0027
"294491"	665.113676	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+H"	1.007276
"689221"	997.166876	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+H"	1.007276
"1364354"	333.060476	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H"	1.007276
"141133"	333.060476	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+2H"	2.014552
"580087"	499.087076	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+2H"	2.014552
"1048522"	167.033876	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2H"	2.014552
"213867"	222.376076	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+3H"	3.021828
"655985"	333.060476	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+3H"	3.021828
"1175568"	111.691676	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+3H"	3.021828
"434830"	682.140223	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+NH4"	18.033823
"795826"	1014.193423	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+NH4"	18.033823
"1691063"	350.087023	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+NH4"	18.033823
"340434"	341.5737495	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+H+NH4"	19.041099
"730668"	507.6003495	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+H+NH4"	19.041099
"1487774"	175.5471495	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H+NH4"	19.041099
"398797"	687.095618	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+Na"	22.989218
"768789"	1019.148818	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+Na"	22.989218
"1615549"	355.042418	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Na"	22.989218
"324492"	344.051447	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+H+Na"	23.996494
"719100"	510.078047	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+H+Na"	23.996494
"1471827"	178.024847	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H+Na"	23.996494
"1065073"	119.01899	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2H+Na"	25.00377
"1266751"	365.086686	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+CH3OH+H"	33.033486
"388607"	703.069558	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+K"	38.963158
"750699"	1035.122758	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+K"	38.963158
"1548377"	371.016358	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+K"	38.963158
"306646"	352.038417	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+H+K"	39.970434
"703081"	518.065017	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+H+K"	39.970434
"1456169"	186.011817	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H+K"	39.970434
"250241"	706.140226	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+ACN+H"	42.033826
"1219667"	374.087026	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+ACN+H"	42.033826
"1201364"	187.547151	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+ACN+2H"	43.041102
"196421"	709.07756	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+2Na-H"	44.97116
"634888"	1041.13076	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+2Na-H"	44.97116
"1137301"	377.02436	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2Na-H"	44.97116
"178038"	355.042418	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+2Na"	45.978436
"619056"	521.069018	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+2Na"	45.978436
"1118550"	189.015818	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2Na"	45.978436
"1402805"	126.346304	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H+2Na"	46.985712
"1431269"	379.065946	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H+HCOOH"	47.012746
"223517"	360.07544	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+3H2O+2H"	56.04448
"1512311"	393.11799	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+IsoProp+H"	61.06479
"411266"	363.029388	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+Na+K"	61.952376
"770803"	529.055988	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+Na+K"	61.952376
"1672979"	197.002788	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Na+K"	61.952376
"258408"	728.122168	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+ACN+Na"	64.015768
"1235134"	396.068968	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+ACN+Na"	64.015768
"1724385"	396.092493	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+NH4+HCOOH"	64.039293
"1190831"	133.673618	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+3Na"	68.967654
"1664495"	401.047888	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Na+HCOOH"	68.994688
"168678"	741.02544	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+2K-H"	76.91904
"602406"	1073.07864	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+2K-H"	76.91904
"1087649"	408.97224	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2K-H"	76.91904
"146287"	371.016358	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"2M+2K"	77.926316
"586941"	537.042958	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"3M+2K"	77.926316
"1072545"	204.989758	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2K"	77.926316
"1104661"	410.986792	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2K+H"	78.933592
"1345427"	411.074407	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+DMSO+H"	79.021207
"1010676"	415.113576	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2ACN+H"	83.060376
"1535364"	416.107208	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+IsoProp+Na+H"	84.054008
"993062"	208.060426	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+2ACN+2H"	84.067652
"1596317"	417.021828	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+K+HCOOH"	84.968628
"1429150"	447.053338	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+H+CF3COOH"	115.000138
"1161744"	228.573701	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+3ACN+2H"	125.094202
"1712392"	464.079885	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+NH4+CF3COOH"	132.026685
"1647310"	469.03528	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+Na+CF3COOH"	136.98208
"1586240"	485.00922	"C04527"	"Corniculatusin;33457-Pentahydroxy-8-methoxyflavone"	"C16H12O8"	"332.0532"	"M+K+CF3COOH"	152.95602
"806763"	346.1992	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M"	0
"978107"	327.18081	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-H2O-H"	-19.01839
"66349"	229.792190666667	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M-3H"	-3.021828
"510285"	345.191924	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M-3H"	-3.021828
"892464"	114.392457333333	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-3H"	-3.021828
"14317"	345.191924	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M-2H"	-2.014552
"444038"	518.291524	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M-2H"	-2.014552
"824028"	172.092324	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-2H"	-2.014552
"91318"	691.391124	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M-H"	-1.007276
"532700"	1037.590324	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M-H"	-1.007276
"910744"	345.191924	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-H"	-1.007276
"62085"	708.417671	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M-2H+NH4"	16.019271
"502010"	1054.616871	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M-2H+NH4"	16.019271
"878722"	362.218471	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-2H+NH4"	16.019271
"46251"	713.373066	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M-2H+Na"	20.974666
"484965"	1059.572266	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M-2H+Na"	20.974666
"854022"	367.173866	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-2H+Na"	20.974666
"1623554"	367.173866	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Na-2H"	20.974666
"96803"	363.180263	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M-H+Cl"	33.962126
"540736"	536.279863	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M-H+Cl"	33.962126
"930971"	190.080663	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-H+Cl"	33.962126
"277183"	727.367802	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+Cl"	34.969402
"671793"	1073.567002	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+Cl"	34.969402
"1283104"	381.168602	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Cl"	34.969402
"23473"	729.347006	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M-2H+K"	36.948606
"464127"	1075.546206	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M-2H+K"	36.948606
"840835"	383.147806	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-2H+K"	36.948606
"1565417"	383.147806	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+K-2H"	36.948606
"952205"	391.197394	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-H+HCOOH"	44.998194
"371513"	737.396601	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+HCOOH-H"	44.998201
"359773"	751.412251	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+Hac-H"	59.013851
"1496575"	405.213051	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Hac-H"	59.013851
"973977"	413.179351	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-H+NaCOOH"	66.980151
"124950"	381.168602	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+2Cl"	69.938804
"562074"	554.268202	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+2Cl"	69.938804
"1033423"	208.069002	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2Cl"	69.938804
"1251544"	425.118085	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Br"	78.918885
"1314356"	427.174072	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Cl+HCOOH"	80.974872
"1330396"	449.156029	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Cl+NaCOOH"	102.956829
"920723"	459.184786	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M-H+CF3COOH"	112.985586
"1298525"	495.161464	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Cl+CF3COOH"	148.962264
"1375592"	311.186524	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H-2H2O"	-35.012676
"1394914"	329.1965	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H-H2O"	-17.0027
"293508"	693.405676	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+H"	1.007276
"688115"	1039.604876	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+H"	1.007276
"1366288"	347.206476	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H"	1.007276
"139542"	347.206476	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+2H"	2.014552
"578009"	520.306076	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+2H"	2.014552
"1048632"	174.106876	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2H"	2.014552
"213977"	231.806742666667	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+3H"	3.021828
"655001"	347.206476	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+3H"	3.021828
"1175678"	116.407009333333	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+3H"	3.021828
"433847"	710.432223	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+NH4"	18.033823
"794841"	1056.631423	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+NH4"	18.033823
"1685706"	364.233023	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+NH4"	18.033823
"333983"	355.7197495	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+H+NH4"	19.041099
"730778"	528.8193495	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+H+NH4"	19.041099
"1488977"	182.6201495	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H+NH4"	19.041099
"398907"	715.387618	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+Na"	22.989218
"769671"	1061.586818	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+Na"	22.989218
"1616752"	369.188418	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Na"	22.989218
"326788"	358.197447	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+H+Na"	23.996494
"719210"	531.297047	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+H+Na"	23.996494
"1471937"	185.097847	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H+Na"	23.996494
"1057528"	123.734323333333	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2H+Na"	25.00377
"1265767"	379.232686	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+CH3OH+H"	33.033486
"385435"	731.361558	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+K"	38.963158
"749715"	1077.560758	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+K"	38.963158
"1548487"	385.162358	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+K"	38.963158
"307851"	366.184417	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+H+K"	39.970434
"703552"	539.284017	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+H+K"	39.970434
"1458467"	193.084817	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H+K"	39.970434
"249257"	734.432226	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+ACN+H"	42.033826
"1220870"	388.233026	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+ACN+H"	42.033826
"1199287"	194.620151	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+ACN+2H"	43.041102
"197624"	737.36956	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+2Na-H"	44.97116
"634998"	1083.56876	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+2Na-H"	44.97116
"1136681"	391.17036	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2Na-H"	44.97116
"180700"	369.188418	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+2Na"	45.978436
"615276"	542.288018	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+2Na"	45.978436
"1119389"	196.088818	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2Na"	45.978436
"1404008"	131.061637333333	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H+2Na"	46.985712
"1431015"	393.211946	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H+HCOOH"	47.012746
"221076"	374.22144	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+3H2O+2H"	56.04448
"1511327"	407.26399	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+IsoProp+H"	61.06479
"411377"	377.175388	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+Na+K"	61.952376
"772007"	550.274988	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+Na+K"	61.952376
"1671993"	204.075788	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Na+K"	61.952376
"255237"	756.414168	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+ACN+Na"	64.015768
"1238889"	410.214968	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+ACN+Na"	64.015768
"1725953"	410.238493	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+NH4+HCOOH"	64.039293
"1190578"	138.388951333333	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+3Na"	68.967654
"1664848"	415.193888	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Na+HCOOH"	68.994688
"171583"	769.31744	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+2K-H"	76.91904
"603245"	1115.51664	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+2K-H"	76.91904
"1087395"	423.11824	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2K-H"	76.91904
"145304"	385.162358	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"2M+2K"	77.926316
"587051"	558.261958	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"3M+2K"	77.926316
"1074841"	212.062758	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2K"	77.926316
"1105863"	425.132792	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2K+H"	78.933592
"1342255"	425.220407	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+DMSO+H"	79.021207
"1011877"	429.259576	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2ACN+H"	83.060376
"1534381"	430.253208	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+IsoProp+Na+H"	84.054008
"993172"	215.133426	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+2ACN+2H"	84.067652
"1597520"	431.167828	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+K+HCOOH"	84.968628
"1428288"	461.199338	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+H+CF3COOH"	115.000138
"1160031"	235.646701	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+3ACN+2H"	125.094202
"1711770"	478.225885	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+NH4+CF3COOH"	132.026685
"1647420"	483.18128	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+Na+CF3COOH"	136.98208
"1586350"	499.15522	"C04529"	"(3S4S)-3-Hydroxytetradecane-134-tricarboxylate"	"C17H30O7"	"346.1992"	"M+K+CF3COOH"	152.95602
"803593"	414.3862	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M"	0
"977124"	395.36781	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-H2O-H"	-19.01839
"67553"	275.250190666667	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M-3H"	-3.021828
"511489"	413.378924	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M-3H"	-3.021828
"890388"	137.121457333333	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-3H"	-3.021828
"4588"	413.378924	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M-2H"	-2.014552
"446336"	620.572024	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M-2H"	-2.014552
"820859"	206.185824	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-2H"	-2.014552
"90697"	827.765124	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M-H"	-1.007276
"529165"	1242.151324	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M-H"	-1.007276
"910936"	413.378924	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-H"	-1.007276
"62070"	844.791671	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M-2H+NH4"	16.019271
"502442"	1259.177871	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M-2H+NH4"	16.019271
"878342"	430.405471	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-2H+NH4"	16.019271
"44417"	849.747066	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M-2H+Na"	20.974666
"482891"	1264.133266	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M-2H+Na"	20.974666
"854132"	435.360866	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-2H+Na"	20.974666
"1621477"	435.360866	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Na-2H"	20.974666
"96913"	431.367263	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M-H+Cl"	33.962126
"543033"	638.560363	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M-H+Cl"	33.962126
"932174"	224.174163	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-H+Cl"	33.962126
"270733"	863.741802	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+Cl"	34.969402
"666436"	1278.128002	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+Cl"	34.969402
"1283214"	449.355602	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Cl"	34.969402
"23583"	865.721006	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M-2H+K"	36.948606
"466423"	1280.107206	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M-2H+K"	36.948606
"845319"	451.334806	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-2H+K"	36.948606
"1560057"	451.334806	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+K-2H"	36.948606
"946846"	459.384394	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-H+HCOOH"	44.998194
"366154"	873.770601	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+HCOOH-H"	44.998201
"354412"	887.786251	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+Hac-H"	59.013851
"1496685"	473.400051	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Hac-H"	59.013851
"973888"	481.366351	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-H+NaCOOH"	66.980151
"125506"	449.355602	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+2Cl"	69.938804
"560361"	656.548702	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+2Cl"	69.938804
"1030253"	242.162502	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2Cl"	69.938804
"1250925"	493.305085	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Br"	78.918885
"1313373"	495.361072	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Cl+HCOOH"	80.974872
"1330870"	517.343029	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Cl+NaCOOH"	102.956829
"921927"	527.371786	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M-H+CF3COOH"	112.985586
"1300822"	563.348464	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Cl+CF3COOH"	148.962264
"1374609"	379.373524	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H-2H2O"	-35.012676
"1394658"	397.3835	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H-H2O"	-17.0027
"294711"	829.779676	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+H"	1.007276
"688954"	1244.165876	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+H"	1.007276
"1366520"	415.393476	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H"	1.007276
"140747"	415.393476	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+2H"	2.014552
"578116"	622.586576	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+2H"	2.014552
"1050925"	208.200376	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2H"	2.014552
"214087"	277.264742666667	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+3H"	3.021828
"654746"	415.393476	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+3H"	3.021828
"1175788"	139.136009333333	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+3H"	3.021828
"433957"	846.806223	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+NH4"	18.033823
"794951"	1261.192423	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+NH4"	18.033823
"1684723"	432.420023	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+NH4"	18.033823
"334093"	423.9067495	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+H+NH4"	19.041099
"730888"	631.0998495	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+H+NH4"	19.041099
"1490180"	216.7136495	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H+NH4"	19.041099
"399017"	851.761618	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+Na"	22.989218
"769130"	1266.147818	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+Na"	22.989218
"1614675"	437.375418	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Na"	22.989218
"325805"	426.384447	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+H+Na"	23.996494
"716040"	633.577547	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+H+Na"	23.996494
"1469860"	219.191347	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H+Na"	23.996494
"1059824"	146.463323333333	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2H+Na"	25.00377
"1266971"	447.419686	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+CH3OH+H"	33.033486
"385546"	867.735558	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+K"	38.963158
"745453"	1282.121758	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+K"	38.963158
"1547504"	453.349358	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+K"	38.963158
"305775"	434.371417	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+H+K"	39.970434
"701475"	641.564517	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+H+K"	39.970434
"1458213"	227.178317	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H+K"	39.970434
"247909"	870.806226	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+ACN+H"	42.033826
"1216606"	456.420026	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+ACN+H"	42.033826
"1198303"	228.713651	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+ACN+2H"	43.041102
"194454"	873.74356	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+2Na-H"	44.97116
"632921"	1288.12976	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+2Na-H"	44.97116
"1134240"	459.35736	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2Na-H"	44.97116
"174612"	437.375418	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+2Na"	45.978436
"614902"	644.568518	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+2Na"	45.978436
"1118648"	230.182318	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2Na"	45.978436
"1401198"	153.790637333333	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H+2Na"	46.985712
"1431489"	461.398946	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H+HCOOH"	47.012746
"220412"	442.40844	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+3H2O+2H"	56.04448
"1510341"	475.45099	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+IsoProp+H"	61.06479
"409664"	445.362388	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+Na+K"	61.952376
"769968"	652.555488	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+Na+K"	61.952376
"1669917"	238.169288	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Na+K"	61.952376
"257534"	892.788168	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+ACN+Na"	64.015768
"1239363"	478.401968	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+ACN+Na"	64.015768
"1724969"	478.425493	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+NH4+HCOOH"	64.039293
"1190323"	161.117951333333	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+3Na"	68.967654
"1664589"	483.380888	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Na+HCOOH"	68.994688
"168897"	905.69144	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+2K-H"	76.91904
"600439"	1320.07764	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+2K-H"	76.91904
"1086410"	491.30524	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2K-H"	76.91904
"146507"	453.349358	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"2M+2K"	77.926316
"586431"	660.542458	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"3M+2K"	77.926316
"1074950"	246.156258	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2K"	77.926316
"1105972"	493.319792	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2K+H"	78.933592
"1340179"	493.407407	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+DMSO+H"	79.021207
"1010894"	497.446576	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2ACN+H"	83.060376
"1527929"	498.440208	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+IsoProp+Na+H"	84.054008
"992552"	249.226926	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+2ACN+2H"	84.067652
"1595443"	499.354828	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+K+HCOOH"	84.968628
"1429126"	529.386338	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+H+CF3COOH"	115.000138
"1160141"	269.740201	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+3ACN+2H"	125.094202
"1711880"	546.412885	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+NH4+CF3COOH"	132.026685
"1647530"	551.36828	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+Na+CF3COOH"	136.98208
"1586460"	567.34222	"C04530"	"44-Dimethyl-5alpha-cholest-7-en-3beta-ol;44-Dimethylcholest-7-ene-3-ol"	"C29H50O"	"414.3862"	"M+K+CF3COOH"	152.95602
"803703"	422.0825	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M"	0
"977234"	403.06411	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"67664"	280.381057333333	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"510506"	421.075224	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"887218"	139.686890666667	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"7979"	421.075224	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"449728"	632.116474	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"827531"	210.033974	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"91900"	843.157724	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"531461"	1265.240224	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"909991"	421.075224	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"59633"	860.184271	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"499558"	1282.266771	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"876267"	438.101771	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"44531"	865.139666	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"483001"	1287.222166	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"855336"	443.057166	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1624867"	443.057166	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"97023"	439.063563	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"542051"	650.104813	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"933378"	228.022313	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"269749"	879.134402	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"666545"	1301.216902	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1283324"	457.051902	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"22600"	881.113606	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"463253"	1303.196106	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"845429"	459.031106	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1561260"	459.031106	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"946956"	467.080694	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"365171"	889.163201	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"352336"	903.178851	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1496795"	481.096351	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"969806"	489.062651	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"123462"	457.051902	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"559378"	668.093152	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1029270"	246.010652	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1249941"	501.001385	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1315669"	503.057372	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1331709"	525.039329	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"922767"	535.068086	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1297653"	571.044764	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1375813"	387.069824	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1393310"	405.0798	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"292269"	845.172276	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"684323"	1267.254776	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1361404"	423.089776	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"139032"	423.089776	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"576404"	634.131026	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1048119"	212.048526	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"214197"	282.395609333333	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"651576"	423.089776	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1175533"	141.701442666667	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"431880"	862.198823	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"793968"	1284.281323	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1689935"	440.116323	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"332016"	431.6030495	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"729905"	642.6442995	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1479355"	220.5617995	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"399127"	867.154218	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"761216"	1289.236718	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1609315"	445.071718	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"324821"	434.080747	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"716148"	645.121997	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1466688"	223.039497	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1057746"	149.028756666667	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1260519"	455.115986	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"379826"	883.128158	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"740821"	1305.210658	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1542875"	461.045658	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"311351"	442.067717	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"703773"	653.108967	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1459418"	231.026467	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"247292"	886.198826	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1214530"	464.116326	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1196955"	232.561801	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"193471"	889.13616	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"633395"	1311.21866	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1137631"	467.05366	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"175455"	445.071718	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"617202"	656.112968	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1118758"	234.030468	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1401069"	156.356070666667	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1432326"	469.095246	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"223852"	450.10474	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1511547"	483.14729	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"411601"	453.058688	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"773323"	664.099938	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1670026"	242.017438	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"255457"	908.180768	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1229630"	486.098268	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1716329"	486.121793	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1184600"	163.683384666667	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1658866"	491.077188	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"164634"	921.08404	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"600545"	1343.16654	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1086517"	499.00154	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"144062"	461.045658	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"582892"	672.086908	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1069593"	250.004408	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1103897"	501.016092	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1340278"	501.103707	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1008818"	505.142876	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1525851"	506.136508	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"992299"	253.075076	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1595553"	507.051128	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1428871"	537.082638	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1160251"	273.588351	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1711990"	554.109185	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1647640"	559.06458	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1586570"	575.03852	"C04534"	"6-Phospho-beta-D-glucosyl-(14)-D-glucose;Cellobiose 6-phosphate;Cellobiose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"809280"	184.0736	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M"	0
"983906"	165.05521	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H2O-H"	-19.01839
"69962"	121.708457333333	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-3H"	-3.021828
"508432"	183.066324	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-3H"	-3.021828
"887329"	60.3505906666667	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-3H"	-3.021828
"10277"	183.066324	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H"	-2.014552
"453849"	275.103124	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H"	-2.014552
"825453"	91.029524	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H"	-2.014552
"79985"	367.139924	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-H"	-1.007276
"523919"	551.213524	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-H"	-1.007276
"905001"	183.066324	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H"	-1.007276
"56095"	384.166471	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H+NH4"	16.019271
"497479"	568.240071	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H+NH4"	16.019271
"876011"	200.092871	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H+NH4"	16.019271
"44273"	389.121866	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H+Na"	20.974666
"474360"	573.195466	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H+Na"	20.974666
"855442"	205.048266	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H+Na"	20.974666
"1628254"	205.048266	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na-2H"	20.974666
"104783"	201.054663	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-H+Cl"	33.962126
"537785"	293.091463	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-H+Cl"	33.962126
"934580"	109.017863	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+Cl"	33.962126
"269860"	403.116602	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Cl"	34.969402
"665561"	587.190202	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+Cl"	34.969402
"1284531"	219.043002	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl"	34.969402
"23804"	405.095806	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H+K"	36.948606
"463363"	589.169406	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H+K"	36.948606
"844446"	221.022206	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H+K"	36.948606
"1559183"	221.022206	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K-2H"	36.948606
"950347"	229.071794	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+HCOOH"	44.998194
"371842"	413.145401	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+HCOOH-H"	44.998201
"359007"	427.161051	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Hac-H"	59.013851
"1496905"	243.087451	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Hac-H"	59.013851
"966636"	251.053751	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+NaCOOH"	66.980151
"123933"	219.043002	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2Cl"	69.938804
"562770"	311.079802	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2Cl"	69.938804
"1031568"	127.006202	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2Cl"	69.938804
"1251145"	262.992485	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Br"	78.918885
"1315779"	265.048472	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl+HCOOH"	80.974872
"1325624"	287.030429	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl+NaCOOH"	102.956829
"924335"	297.059186	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+CF3COOH"	112.985586
"1299950"	333.035864	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl+CF3COOH"	148.962264
"1381025"	149.060924	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H-2H2O"	-35.012676
"1390139"	167.0709	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H-H2O"	-17.0027
"292013"	369.154476	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H"	1.007276
"682248"	553.228076	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H"	1.007276
"1364430"	185.080876	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H"	1.007276
"138413"	185.080876	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2H"	2.014552
"576150"	277.117676	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2H"	2.014552
"1049687"	93.044076	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2H"	2.014552
"206652"	123.723009333333	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+3H"	3.021828
"652414"	185.080876	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+3H"	3.021828
"1172727"	62.3651426666667	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+3H"	3.021828
"426522"	386.181023	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+NH4"	18.033823
"792987"	570.254623	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+NH4"	18.033823
"1688224"	202.107423	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+NH4"	18.033823
"334314"	193.5941495	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H+NH4"	19.041099
"724912"	285.6309495	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H+NH4"	19.041099
"1482745"	101.5573495	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+NH4"	19.041099
"399239"	391.136418	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Na"	22.989218
"764608"	575.210018	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+Na"	22.989218
"1610521"	207.062818	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na"	22.989218
"324929"	196.071847	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H+Na"	23.996494
"712978"	288.108647	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H+Na"	23.996494
"1466798"	104.035047	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+Na"	23.996494
"1058949"	69.6924566666667	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2H+Na"	25.00377
"1261725"	217.107086	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+CH3OH+H"	33.033486
"383578"	407.110358	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+K"	38.963158
"741661"	591.183958	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+K"	38.963158
"1544440"	223.036758	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K"	38.963158
"311098"	204.058817	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H+K"	39.970434
"704250"	296.095617	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H+K"	39.970434
"1458436"	112.022017	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+K"	39.970434
"247405"	410.181026	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+ACN+H"	42.033826
"1222294"	226.107426	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+ACN+H"	42.033826
"1198522"	113.557351	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+ACN+2H"	43.041102
"192488"	413.11836	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2Na-H"	44.97116
"634236"	597.19196	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2Na-H"	44.97116
"1141021"	229.04476	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2Na-H"	44.97116
"182124"	207.062818	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2Na"	45.978436
"620591"	299.099618	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2Na"	45.978436
"1120816"	115.026018	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2Na"	45.978436
"1403246"	77.0197706666667	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+2Na"	46.985712
"1430501"	231.086346	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+HCOOH"	47.012746
"221777"	212.09584	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+3H2O+2H"	56.04448
"1510563"	245.13839	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+IsoProp+H"	61.06479
"411712"	215.049788	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Na+K"	61.952376
"772711"	307.086588	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+Na+K"	61.952376
"1668313"	123.012988	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na+K"	61.952376
"255567"	432.162968	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+ACN+Na"	64.015768
"1232655"	248.089368	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+ACN+Na"	64.015768
"1716075"	248.112893	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+NH4+HCOOH"	64.039293
"1186897"	84.3470846666667	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+3Na"	68.967654
"1657884"	253.068288	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na+HCOOH"	68.994688
"166931"	445.06624	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2K-H"	76.91904
"603209"	629.13984	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2K-H"	76.91904
"1086991"	260.99264	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2K-H"	76.91904
"145631"	223.036758	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2K"	77.926316
"582639"	315.073558	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2K"	77.926316
"1071891"	130.999958	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2K"	77.926316
"1102913"	263.007192	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2K+H"	78.933592
"1338933"	263.094807	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+DMSO+H"	79.021207
"1011114"	267.133976	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2ACN+H"	83.060376
"1527418"	268.127608	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+IsoProp+Na+H"	84.054008
"993502"	134.070626	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2ACN+2H"	84.067652
"1590195"	269.042228	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K+HCOOH"	84.968628
"1426792"	299.073738	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+CF3COOH"	115.000138
"1153800"	154.583901	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+3ACN+2H"	125.094202
"1709913"	316.100285	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+NH4+CF3COOH"	132.026685
"1646656"	321.05568	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na+CF3COOH"	136.98208
"1586679"	337.02962	"C04535"	"7-Methyl-2-hydroxy-6-oxoocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K+CF3COOH"	152.95602
"813764"	598.243	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M"	0
"989080"	579.22461	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-H2O-H"	-19.01839
"67886"	397.821390666667	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M-3H"	-3.021828
"514006"	597.235724	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M-3H"	-3.021828
"886343"	198.407057333333	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-3H"	-3.021828
"6013"	597.235724	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M-2H"	-2.014552
"447763"	896.357224	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M-2H"	-2.014552
"824469"	298.114224	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-2H"	-2.014552
"83375"	1195.478724	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M-H"	-1.007276
"527308"	1793.721724	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M-H"	-1.007276
"905111"	597.235724	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-H"	-1.007276
"58394"	1212.505271	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M-2H+NH4"	16.019271
"496859"	1810.748271	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M-2H+NH4"	16.019271
"876845"	614.262271	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-2H+NH4"	16.019271
"43654"	1217.460666	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M-2H+Na"	20.974666
"474470"	1815.703666	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M-2H+Na"	20.974666
"857739"	619.217666	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-2H+Na"	20.974666
"1631644"	619.217666	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Na-2H"	20.974666
"107081"	615.224063	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M-H+Cl"	33.962126
"543362"	914.345563	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M-H+Cl"	33.962126
"935783"	316.102563	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-H+Cl"	33.962126
"271064"	1231.455402	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+Cl"	34.969402
"664578"	1829.698402	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+Cl"	34.969402
"1284641"	633.212402	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Cl"	34.969402
"26102"	1233.434606	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M-2H+K"	36.948606
"465659"	1831.677606	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M-2H+K"	36.948606
"844192"	635.191606	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-2H+K"	36.948606
"1560386"	635.191606	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+K-2H"	36.948606
"952644"	643.241194	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-H+HCOOH"	44.998194
"375232"	1241.484201	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+HCOOH-H"	44.998201
"359117"	1255.499851	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+Hac-H"	59.013851
"1497015"	657.256851	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Hac-H"	59.013851
"970025"	665.223151	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-H+NaCOOH"	66.980151
"123679"	633.212402	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+2Cl"	69.938804
"562879"	932.333902	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+2Cl"	69.938804
"1035692"	334.090902	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2Cl"	69.938804
"1252348"	677.161885	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Br"	78.918885
"1315525"	679.217872	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Cl+HCOOH"	80.974872
"1326827"	701.199829	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Cl+NaCOOH"	102.956829
"925539"	711.228586	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M-H+CF3COOH"	112.985586
"1300425"	747.205264	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Cl+CF3COOH"	148.962264
"1382231"	563.230324	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H-2H2O"	-35.012676
"1390249"	581.2403	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H-H2O"	-17.0027
"292123"	1197.493276	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+H"	1.007276
"683451"	1795.736276	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+H"	1.007276
"1365998"	599.250276	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H"	1.007276
"138521"	599.250276	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+2H"	2.014552
"579539"	898.371776	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+2H"	2.014552
"1050890"	300.128776	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2H"	2.014552
"209312"	399.835942666667	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+3H"	3.021828
"649608"	599.250276	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+3H"	3.021828
"1172107"	200.421609333333	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+3H"	3.021828
"426632"	1214.519823	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+NH4"	18.033823
"792003"	1812.762823	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+NH4"	18.033823
"1688334"	616.276823	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+NH4"	18.033823
"334424"	607.7635495	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+H+NH4"	19.041099
"724658"	906.8850495	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+H+NH4"	19.041099
"1483948"	308.6420495	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H+NH4"	19.041099
"399349"	1219.475218	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+Na"	22.989218
"764718"	1817.718218	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+Na"	22.989218
"1613910"	621.232218	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Na"	22.989218
"325039"	610.241247	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+H+Na"	23.996494
"711265"	909.362747	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+H+Na"	23.996494
"1468001"	311.119747	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H+Na"	23.996494
"1059058"	207.748923333333	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2H+Na"	25.00377
"1260740"	631.276486	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+CH3OH+H"	33.033486
"384781"	1235.449158	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+K"	38.963158
"747964"	1833.692158	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+K"	38.963158
"1546740"	637.206158	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+K"	38.963158
"309384"	618.228217	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+H+K"	39.970434
"703993"	917.349717	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+H+K"	39.970434
"1459273"	319.106717	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H+K"	39.970434
"248973"	1238.519826	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+ACN+H"	42.033826
"1223497"	640.276826	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+ACN+H"	42.033826
"1197538"	320.642051	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+ACN+2H"	43.041102
"195878"	1241.45716	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+2Na-H"	44.97116
"636532"	1839.70016	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+2Na-H"	44.97116
"1143317"	643.21416	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2Na-H"	44.97116
"183326"	621.232218	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+2Na"	45.978436
"616328"	920.353718	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+2Na"	45.978436
"1117646"	322.110718	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2Na"	45.978436
"1404450"	215.076237333333	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H+2Na"	46.985712
"1430733"	645.255746	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H+HCOOH"	47.012746
"222251"	626.26524	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+3H2O+2H"	56.04448
"1509584"	659.30779	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+IsoProp+H"	61.06479
"410727"	629.219188	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+Na+K"	61.952376
"772092"	928.340688	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+Na+K"	61.952376
"1673527"	330.097688	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Na+K"	61.952376
"253488"	1260.501768	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+ACN+Na"	64.015768
"1232764"	662.258768	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+ACN+Na"	64.015768
"1722745"	662.282293	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+NH4+HCOOH"	64.039293
"1187005"	222.403551333333	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+3Na"	68.967654
"1656896"	667.237688	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Na+HCOOH"	68.994688
"162663"	1273.40504	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+2K-H"	76.91904
"606599"	1871.64804	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+2K-H"	76.91904
"1091113"	675.16204	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2K-H"	76.91904
"143556"	637.206158	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"2M+2K"	77.926316
"582748"	936.327658	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"3M+2K"	77.926316
"1071635"	338.084658	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2K"	77.926316
"1104115"	677.176592	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2K+H"	78.933592
"1337584"	677.264207	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+DMSO+H"	79.021207
"1011224"	681.303376	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2ACN+H"	83.060376
"1528257"	682.297008	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+IsoProp+Na+H"	84.054008
"992519"	341.155326	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+2ACN+2H"	84.067652
"1591398"	683.211628	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+K+HCOOH"	84.968628
"1425809"	713.243138	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+H+CF3COOH"	115.000138
"1153908"	361.668601	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+3ACN+2H"	125.094202
"1707835"	730.269685	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+NH4+CF3COOH"	132.026685
"1648953"	735.22508	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+Na+CF3COOH"	136.98208
"1586789"	751.19902	"C04536"	"Magnesium protoporphyrin monomethyl ester;Magnesium-protoporphyrin IX 13-monomethyl ester;Mg-Protoporphyrin IX 13-monomethyl ester;Magnesium protoporphyrin IX 13-methyl ester"	"C35H34MgN4O4"	"598.243"	"M+K+CF3COOH"	152.95602
"807315"	335.1329	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M"	0
"977568"	316.11451	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-H2O-H"	-19.01839
"65810"	222.414657333333	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M-3H"	-3.021828
"515214"	334.125624	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M-3H"	-3.021828
"885362"	110.703690666667	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-3H"	-3.021828
"10499"	334.125624	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M-2H"	-2.014552
"452616"	501.692074	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M-2H"	-2.014552
"830781"	166.559174	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-2H"	-2.014552
"91138"	669.258524	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M-H"	-1.007276
"529605"	1004.391424	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M-H"	-1.007276
"905220"	334.125624	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-H"	-1.007276
"59596"	686.285071	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M-2H+NH4"	16.019271
"493689"	1021.417971	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M-2H+NH4"	16.019271
"869303"	351.152171	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-2H+NH4"	16.019271
"39392"	691.240466	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M-2H+Na"	20.974666
"482234"	1026.373366	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M-2H+Na"	20.974666
"858945"	356.107566	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-2H+Na"	20.974666
"1628479"	356.107566	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Na-2H"	20.974666
"102820"	352.113963	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M-H+Cl"	33.962126
"542381"	519.680413	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M-H+Cl"	33.962126
"933710"	184.547513	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-H+Cl"	33.962126
"272266"	705.235202	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+Cl"	34.969402
"667967"	1040.368102	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+Cl"	34.969402
"1280370"	370.102302	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Cl"	34.969402
"18552"	707.214406	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M-2H+K"	36.948606
"457503"	1042.347306	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M-2H+K"	36.948606
"835184"	372.081506	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-2H+K"	36.948606
"1559400"	372.081506	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+K-2H"	36.948606
"947283"	380.131094	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-H+HCOOH"	44.998194
"374257"	715.264001	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+HCOOH-H"	44.998201
"359843"	729.279651	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+Hac-H"	59.013851
"1507350"	394.146751	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Hac-H"	59.013851
"973795"	402.113051	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-H+NaCOOH"	66.980151
"121246"	370.102302	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+2Cl"	69.938804
"564086"	537.668752	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+2Cl"	69.938804
"1036045"	202.535852	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2Cl"	69.938804
"1256474"	414.051785	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Br"	78.918885
"1319651"	416.107772	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Cl+HCOOH"	80.974872
"1334593"	438.089729	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Cl+NaCOOH"	102.956829
"924189"	448.118486	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M-H+CF3COOH"	112.985586
"1302357"	484.095164	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Cl+CF3COOH"	148.962264
"1381611"	300.120224	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H-2H2O"	-35.012676
"1397895"	318.1302	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H-H2O"	-17.0027
"297702"	671.273076	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+H"	1.007276
"690123"	1006.405976	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+H"	1.007276
"1366474"	336.140176	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H"	1.007276
"138996"	336.140176	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+2H"	2.014552
"576371"	503.706626	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+2H"	2.014552
"1044442"	168.573726	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2H"	2.014552
"214531"	224.429209333333	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+3H"	3.021828
"645707"	336.140176	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+3H"	3.021828
"1168937"	112.718242666667	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+3H"	3.021828
"430022"	688.299623	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+NH4"	18.033823
"792113"	1023.432523	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+NH4"	18.033823
"1688444"	353.166723	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+NH4"	18.033823
"331256"	344.6534495	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+H+NH4"	19.041099
"724770"	512.2198995	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+H+NH4"	19.041099
"1482965"	177.0869995	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H+NH4"	19.041099
"402739"	693.255018	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+Na"	22.989218
"764828"	1028.387918	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+Na"	22.989218
"1608550"	358.122118	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Na"	22.989218
"322962"	347.131147	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+H+Na"	23.996494
"716478"	514.697597	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+H+Na"	23.996494
"1472485"	179.564697	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H+Na"	23.996494
"1060263"	120.045556666667	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2H+Na"	25.00377
"1267409"	368.166386	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+CH3OH+H"	33.033486
"387077"	709.228958	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+K"	38.963158
"749166"	1044.361858	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+K"	38.963158
"1552313"	374.096058	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+K"	38.963158
"310585"	355.118117	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+H+K"	39.970434
"701913"	522.684567	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+H+K"	39.970434
"1457921"	187.551667	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H+K"	39.970434
"248713"	712.299626	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+ACN+H"	42.033826
"1219235"	377.166726	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+ACN+H"	42.033826
"1203117"	189.087001	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+ACN+2H"	43.041102
"198174"	715.23696	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+2Na-H"	44.97116
"638830"	1050.36986	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+2Na-H"	44.97116
"1134680"	380.10406	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2Na-H"	44.97116
"176875"	358.122118	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+2Na"	45.978436
"615704"	525.688568	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+2Na"	45.978436
"1116658"	190.555668	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2Na"	45.978436
"1401279"	127.372870666667	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H+2Na"	46.985712
"1432304"	382.145646	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H+HCOOH"	47.012746
"222362"	363.15514	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+3H2O+2H"	56.04448
"1511517"	396.19769	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+IsoProp+H"	61.06479
"419586"	366.109088	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+Na+K"	61.952376
"782416"	533.675538	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+Na+K"	61.952376
"1668179"	198.542638	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Na+K"	61.952376
"251901"	734.281568	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+ACN+Na"	64.015768
"1225702"	399.148668	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+ACN+Na"	64.015768
"1715565"	399.172193	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+NH4+HCOOH"	64.039293
"1178975"	134.700184666667	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+3Na"	68.967654
"1650204"	404.127588	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Na+HCOOH"	68.994688
"158401"	747.18484	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+2K-H"	76.91904
"597958"	1082.31774	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+2K-H"	76.91904
"1086120"	412.05194	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2K-H"	76.91904
"144757"	374.096058	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"2M+2K"	77.926316
"582373"	541.662508	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"3M+2K"	77.926316
"1070287"	206.529608	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2K"	77.926316
"1105330"	414.066492	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2K+H"	78.933592
"1342811"	414.154107	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+DMSO+H"	79.021207
"1011341"	418.193276	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2ACN+H"	83.060376
"1533842"	419.186908	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+IsoProp+Na+H"	84.054008
"998101"	209.600276	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+2ACN+2H"	84.067652
"1594790"	420.101528	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+K+HCOOH"	84.968628
"1425920"	450.133038	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+H+CF3COOH"	115.000138
"1155115"	230.113551	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+3ACN+2H"	125.094202
"1702478"	467.159585	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+NH4+CF3COOH"	132.026685
"1642503"	472.11498	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+Na+CF3COOH"	136.98208
"1586901"	488.08892	"C04540"	"N4-(Acetyl-beta-D-glucosaminyl)asparagine;N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;1-beta-Aspartyl-N-acetyl-D-glucosaminylamine"	"C12H21N3O8"	"335.1329"	"M+K+CF3COOH"	152.95602
"812895"	388.1383	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M"	0
"986428"	369.11991	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-H2O-H"	-19.01839
"74672"	257.751590666667	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M-3H"	-3.021828
"518125"	387.131024	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M-3H"	-3.021828
"893128"	128.372157333333	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-3H"	-3.021828
"11703"	387.131024	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M-2H"	-2.014552
"447992"	581.200174	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M-2H"	-2.014552
"828708"	193.061874	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-2H"	-2.014552
"89795"	775.269324	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M-H"	-1.007276
"530449"	1163.407624	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M-H"	-1.007276
"908613"	387.131024	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-H"	-1.007276
"61891"	792.295871	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M-2H+NH4"	16.019271
"500360"	1180.434171	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M-2H+NH4"	16.019271
"875978"	404.157571	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-2H+NH4"	16.019271
"42786"	797.251266	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M-2H+Na"	20.974666
"482344"	1185.389566	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M-2H+Na"	20.974666
"861972"	409.112966	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-2H+Na"	20.974666
"1630048"	409.112966	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Na-2H"	20.974666
"106211"	405.119363	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M-H+Cl"	33.962126
"542491"	599.188513	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M-H+Cl"	33.962126
"932727"	211.050213	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-H+Cl"	33.962126
"277844"	811.246002	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+Cl"	34.969402
"669905"	1199.384302	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+Cl"	34.969402
"1283767"	423.107702	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Cl"	34.969402
"21944"	813.225206	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M-2H+K"	36.948606
"463689"	1201.363506	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M-2H+K"	36.948606
"840397"	425.086906	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-2H+K"	36.948606
"1560606"	425.086906	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+K-2H"	36.948606
"948488"	433.136494	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-H+HCOOH"	44.998194
"374731"	821.274801	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+HCOOH-H"	44.998201
"357886"	835.290451	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+Hac-H"	59.013851
"1505272"	447.152151	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Hac-H"	59.013851
"970262"	455.118451	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-H+NaCOOH"	66.980151
"122085"	423.107702	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+2Cl"	69.938804
"562373"	617.176852	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+2Cl"	69.938804
"1032995"	229.038552	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2Cl"	69.938804
"1255367"	467.057185	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Br"	78.918885
"1315746"	469.113172	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Cl+HCOOH"	80.974872
"1332149"	491.095129	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Cl+NaCOOH"	102.956829
"926255"	501.123886	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M-H+CF3COOH"	112.985586
"1299184"	537.100564	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Cl+CF3COOH"	148.962264
"1379167"	353.125624	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H-2H2O"	-35.012676
"1396301"	371.1356	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H-H2O"	-17.0027
"297810"	777.283876	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+H"	1.007276
"691252"	1165.422176	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+H"	1.007276
"1365853"	389.145576	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H"	1.007276
"139106"	389.145576	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+2H"	2.014552
"576481"	583.214726	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+2H"	2.014552
"1042367"	195.076426	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2H"	2.014552
"206988"	259.766142666667	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+3H"	3.021828
"644844"	389.145576	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+3H"	3.021828
"1167950"	130.386709333333	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+3H"	3.021828
"426121"	794.310423	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+NH4"	18.033823
"786751"	1182.448723	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+NH4"	18.033823
"1683449"	406.172123	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+NH4"	18.033823
"339022"	397.6588495	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+H+NH4"	19.041099
"730349"	591.7279995	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+H+NH4"	19.041099
"1483078"	203.5896995	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H+NH4"	19.041099
"405036"	799.265818	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+Na"	22.989218
"761659"	1187.404118	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+Na"	22.989218
"1606477"	411.127518	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Na"	22.989218
"319795"	400.136547	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+H+Na"	23.996494
"712215"	594.205697	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+H+Na"	23.996494
"1467131"	206.067397	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H+Na"	23.996494
"1067505"	137.714023333333	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2H+Na"	25.00377
"1267522"	421.171786	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+CH3OH+H"	33.033486
"387192"	815.239758	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+K"	38.963158
"749280"	1203.378058	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+K"	38.963158
"1551333"	427.101458	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+K"	38.963158
"313981"	408.123517	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+H+K"	39.970434
"707032"	602.192667	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+H+K"	39.970434
"1456943"	214.054367	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H+K"	39.970434
"244452"	818.310426	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+ACN+H"	42.033826
"1218253"	430.172126	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+ACN+H"	42.033826
"1203230"	215.589701	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+ACN+2H"	43.041102
"191359"	821.24776	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+2Na-H"	44.97116
"632013"	1209.38606	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+2Na-H"	44.97116
"1144269"	433.10946	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2Na-H"	44.97116
"176990"	411.127518	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+2Na"	45.978436
"618735"	605.196668	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+2Na"	45.978436
"1118114"	217.058368	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2Na"	45.978436
"1401394"	145.041337333333	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H+2Na"	46.985712
"1433511"	435.151046	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H+HCOOH"	47.012746
"224297"	416.16054	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+3H2O+2H"	56.04448
"1511995"	449.20309	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+IsoProp+H"	61.06479
"417515"	419.114488	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+Na+K"	61.952376
"781433"	613.183638	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+Na+K"	61.952376
"1669382"	225.045338	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Na+K"	61.952376
"253711"	840.292368	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+ACN+Na"	64.015768
"1227152"	452.154068	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+ACN+Na"	64.015768
"1717498"	452.177593	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+NH4+HCOOH"	64.039293
"1179936"	152.368651333333	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+3Na"	68.967654
"1656025"	457.132988	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Na+HCOOH"	68.994688
"162885"	853.19564	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+2K-H"	76.91904
"599167"	1241.33394	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+2K-H"	76.91904
"1086959"	465.05734	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2K-H"	76.91904
"147054"	427.101458	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"2M+2K"	77.926316
"583700"	621.170608	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"3M+2K"	77.926316
"1073314"	233.032308	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2K"	77.926316
"1105440"	467.071892	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2K+H"	78.933592
"1338548"	467.159507	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+DMSO+H"	79.021207
"1011451"	471.198676	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2ACN+H"	83.060376
"1527388"	472.192308	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+IsoProp+Na+H"	84.054008
"994925"	236.102976	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+2ACN+2H"	84.067652
"1591620"	473.106928	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+K+HCOOH"	84.968628
"1416186"	503.138438	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+H+CF3COOH"	115.000138
"1154132"	256.616251	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+3ACN+2H"	125.094202
"1706964"	520.164985	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+NH4+CF3COOH"	132.026685
"1649175"	525.12038	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+Na+CF3COOH"	136.98208
"1587011"	541.09432	"C04541"	"N5-Dinitrophenyl-L-ornithine methyl ester"	"C18H20N4O6"	"388.1383"	"M+K+CF3COOH"	152.95602
"816166"	222.1038	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M"	0
"988726"	203.08541	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-H2O-H"	-19.01839
"72595"	147.061924	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M-3H"	-3.021828
"508874"	221.096524	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M-3H"	-3.021828
"895546"	73.027324	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-3H"	-3.021828
"11818"	221.096524	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M-2H"	-2.014552
"449193"	332.148424	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M-2H"	-2.014552
"828088"	110.044624	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-2H"	-2.014552
"91359"	443.200324	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M-H"	-1.007276
"529827"	665.304124	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M-H"	-1.007276
"909087"	221.096524	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-H"	-1.007276
"57628"	460.226871	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M-2H+NH4"	16.019271
"498654"	682.330671	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M-2H+NH4"	16.019271
"876087"	238.123071	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-2H+NH4"	16.019271
"43991"	465.182266	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M-2H+Na"	20.974666
"484647"	687.286066	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M-2H+Na"	20.974666
"861717"	243.078466	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-2H+Na"	20.974666
"1627606"	243.078466	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Na-2H"	20.974666
"103041"	239.084863	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M-H+Cl"	33.962126
"541507"	350.136763	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M-H+Cl"	33.962126
"932834"	128.032963	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-H+Cl"	33.962126
"273580"	479.177002	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+Cl"	34.969402
"664907"	701.280802	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+Cl"	34.969402
"1275123"	257.073202	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Cl"	34.969402
"17797"	481.156206	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M-2H+K"	36.948606
"457359"	703.260006	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M-2H+K"	36.948606
"838320"	259.052406	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-2H+K"	36.948606
"1563995"	259.052406	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+K-2H"	36.948606
"946411"	267.101994	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-H+HCOOH"	44.998194
"375207"	489.205801	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+HCOOH-H"	44.998201
"361036"	503.221451	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+Hac-H"	59.013851
"1506835"	281.117651	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Hac-H"	59.013851
"972677"	289.083951	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-H+NaCOOH"	66.980151
"123654"	257.073202	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+2Cl"	69.938804
"563214"	368.125102	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+2Cl"	69.938804
"1036021"	146.021302	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2Cl"	69.938804
"1255234"	301.022685	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Br"	78.918885
"1314032"	303.078672	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Cl+HCOOH"	80.974872
"1334448"	325.060629	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Cl+NaCOOH"	102.956829
"919305"	335.089386	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M-H+CF3COOH"	112.985586
"1301480"	371.066064	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Cl+CF3COOH"	148.962264
"1375267"	187.091124	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H-2H2O"	-35.012676
"1394952"	205.1011	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H-H2O"	-17.0027
"293910"	445.214876	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+H"	1.007276
"686331"	667.318676	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+H"	1.007276
"1355753"	223.111076	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H"	1.007276
"137030"	223.111076	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+2H"	2.014552
"568210"	334.162976	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+2H"	2.014552
"1040290"	112.059176	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2H"	2.014552
"205756"	149.076476	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+3H"	3.021828
"645075"	223.111076	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+3H"	3.021828
"1165146"	75.041876	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+3H"	3.021828
"428054"	462.241423	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+NH4"	18.033823
"786859"	684.345223	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+NH4"	18.033823
"1691947"	240.137623	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+NH4"	18.033823
"341319"	231.6243495	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+H+NH4"	19.041099
"732646"	342.6762495	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+H+NH4"	19.041099
"1486468"	120.5724495	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H+NH4"	19.041099
"397493"	467.196818	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+Na"	22.989218
"761768"	689.300618	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+Na"	22.989218
"1614240"	245.093018	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Na"	22.989218
"323184"	234.102047	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+H+Na"	23.996494
"710137"	345.153947	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+H+Na"	23.996494
"1468333"	123.050147	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H+Na"	23.996494
"1065953"	82.36919	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2H+Na"	25.00377
"1261433"	255.137286	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+CH3OH+H"	33.033486
"382926"	483.170758	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+K"	38.963158
"747202"	705.274558	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+K"	38.963158
"1551442"	261.066958	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+K"	38.963158
"310805"	242.089017	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+H+K"	39.970434
"702139"	353.140917	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+H+K"	39.970434
"1454867"	131.037117	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H+K"	39.970434
"243469"	486.241426	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+ACN+H"	42.033826
"1212168"	264.137626	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+ACN+H"	42.033826
"1195689"	132.572451	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+ACN+2H"	43.041102
"190012"	489.17876	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+2Na-H"	44.97116
"631396"	711.28256	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+2Na-H"	44.97116
"1131738"	267.07496	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2Na-H"	44.97116
"177099"	245.093018	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+2Na"	45.978436
"613622"	356.144918	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+2Na"	45.978436
"1118346"	134.041118	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2Na"	45.978436
"1399680"	89.696504	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H+2Na"	46.985712
"1433985"	269.116546	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H+HCOOH"	47.012746
"222220"	250.12604	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+3H2O+2H"	56.04448
"1512470"	283.16859	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+IsoProp+H"	61.06479
"417633"	253.079988	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+Na+K"	61.952376
"771459"	364.131888	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+Na+K"	61.952376
"1669491"	142.028088	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Na+K"	61.952376
"256011"	508.223368	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+ACN+Na"	64.015768
"1232001"	286.119568	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+ACN+Na"	64.015768
"1715421"	286.143093	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+NH4+HCOOH"	64.039293
"1181868"	97.023818	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+3Na"	68.967654
"1658321"	291.098488	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Na+HCOOH"	68.994688
"166275"	521.12664	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+2K-H"	76.91904
"601462"	743.23044	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+2K-H"	76.91904
"1090349"	299.02284	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2K-H"	76.91904
"142792"	261.066958	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"2M+2K"	77.926316
"583809"	372.118858	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"3M+2K"	77.926316
"1075619"	150.015058	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2K"	77.926316
"1102272"	301.037392	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2K+H"	78.933592
"1338657"	301.125007	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+DMSO+H"	79.021207
"1007304"	305.164176	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2ACN+H"	83.060376
"1525066"	306.157808	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+IsoProp+Na+H"	84.054008
"992119"	153.085726	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+2ACN+2H"	84.067652
"1589176"	307.072428	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+K+HCOOH"	84.968628
"1416296"	337.103938	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+H+CF3COOH"	115.000138
"1149865"	173.599001	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+3ACN+2H"	125.094202
"1697472"	354.130485	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+NH4+CF3COOH"	132.026685
"1637256"	359.08588	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+Na+CF3COOH"	136.98208
"1571934"	375.05982	"C04543"	"Buthionine sulfoximine;S-Butyl-DL-homocysteine-SR-sulfoximine"	"C8H18N2O3S"	"222.1038"	"M+K+CF3COOH"	152.95602
"804366"	321.0995	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M"	0
"980086"	302.08111	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-H2O-H"	-19.01839
"72705"	213.059057333333	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M-3H"	-3.021828
"508984"	320.092224	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M-3H"	-3.021828
"895632"	106.025890666667	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-3H"	-3.021828
"13021"	320.092224	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M-2H"	-2.014552
"450396"	480.641974	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M-2H"	-2.014552
"828199"	159.542474	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-2H"	-2.014552
"91105"	641.191724	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M-H"	-1.007276
"528847"	962.291224	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M-H"	-1.007276
"908832"	320.092224	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-H"	-1.007276
"59925"	658.218271	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M-2H+NH4"	16.019271
"499129"	979.317771	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M-2H+NH4"	16.019271
"876197"	337.118771	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-2H+NH4"	16.019271
"45196"	663.173666	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M-2H+Na"	20.974666
"484393"	984.273166	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M-2H+Na"	20.974666
"861828"	342.074166	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-2H+Na"	20.974666
"1628808"	342.074166	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Na-2H"	20.974666
"102057"	338.080563	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M-H+Cl"	33.962126
"539429"	498.630313	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M-H+Cl"	33.962126
"934037"	177.530813	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-H+Cl"	33.962126
"274782"	677.168402	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+Cl"	34.969402
"668295"	998.267902	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+Cl"	34.969402
"1278512"	356.068902	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Cl"	34.969402
"17178"	679.147606	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M-2H+K"	36.948606
"458440"	1000.247106	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M-2H+K"	36.948606
"834417"	358.048106	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-2H+K"	36.948606
"1556936"	358.048106	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+K-2H"	36.948606
"945427"	366.097694	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-H+HCOOH"	44.998194
"373129"	687.197201	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+HCOOH-H"	44.998201
"358837"	701.212851	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+Hac-H"	59.013851
"1507918"	380.113351	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Hac-H"	59.013851
"973392"	388.079651	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-H+NaCOOH"	66.980151
"124489"	356.068902	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+2Cl"	69.938804
"563686"	516.618652	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+2Cl"	69.938804
"1036129"	195.519152	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2Cl"	69.938804
"1255704"	400.018385	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Br"	78.918885
"1315965"	402.074372	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Cl+HCOOH"	80.974872
"1334677"	424.056329	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Cl+NaCOOH"	102.956829
"918322"	434.085086	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M-H+CF3COOH"	112.985586
"1301955"	470.061764	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Cl+CF3COOH"	148.962264
"1377563"	286.086824	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H-2H2O"	-35.012676
"1394698"	304.0968	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H-H2O"	-17.0027
"295113"	643.206276	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+H"	1.007276
"686441"	964.305776	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+H"	1.007276
"1355863"	322.106776	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H"	1.007276
"140056"	322.106776	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+2H"	2.014552
"567591"	482.656526	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+2H"	2.014552
"1037723"	161.557026	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2H"	2.014552
"205137"	215.073609333333	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+3H"	3.021828
"646763"	322.106776	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+3H"	3.021828
"1164890"	108.040442666667	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+3H"	3.021828
"425975"	660.232823	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+NH4"	18.033823
"786970"	981.332323	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+NH4"	18.033823
"1692057"	339.133323	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+NH4"	18.033823
"341429"	330.6200495	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+H+NH4"	19.041099
"732756"	491.1697995	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+H+NH4"	19.041099
"1486578"	170.0702995	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H+NH4"	19.041099
"396874"	665.188218	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+Na"	22.989218
"761878"	986.287718	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+Na"	22.989218
"1614350"	344.088718	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Na"	22.989218
"320014"	333.097747	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+H+Na"	23.996494
"709518"	493.647497	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+H+Na"	23.996494
"1468443"	172.547997	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H+Na"	23.996494
"1064970"	115.367756666667	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2H+Na"	25.00377
"1261179"	354.132986	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+CH3OH+H"	33.033486
"383764"	681.162158	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+K"	38.963158
"747312"	1002.261658	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+K"	38.963158
"1549365"	360.062658	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+K"	38.963158
"310551"	341.084717	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+H+K"	39.970434
"695687"	501.634467	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+H+K"	39.970434
"1452788"	180.534967	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H+K"	39.970434
"240298"	684.232826	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+ACN+H"	42.033826
"1211183"	363.133326	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+ACN+H"	42.033826
"1194825"	182.070301	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+ACN+2H"	43.041102
"189755"	687.17016	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+2Na-H"	44.97116
"629680"	1008.26966	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+2Na-H"	44.97116
"1132092"	366.07066	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2Na-H"	44.97116
"175022"	344.088718	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+2Na"	45.978436
"613034"	504.638468	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+2Na"	45.978436
"1117726"	183.538968	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2Na"	45.978436
"1399791"	122.695070666667	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H+2Na"	46.985712
"1431907"	368.112246	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H+HCOOH"	47.012746
"220261"	349.12174	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+3H2O+2H"	56.04448
"1508933"	382.16429	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+IsoProp+H"	61.06479
"419930"	352.075688	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+Na+K"	61.952376
"773633"	512.625438	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+Na+K"	61.952376
"1672881"	191.525938	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Na+K"	61.952376
"258307"	706.214768	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+ACN+Na"	64.015768
"1233204"	385.115268	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+ACN+Na"	64.015768
"1715530"	385.138793	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+NH4+HCOOH"	64.039293
"1180884"	130.022384666667	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+3Na"	68.967654
"1655151"	390.094188	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Na+HCOOH"	68.994688
"163104"	719.11804	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+2K-H"	76.91904
"604852"	1040.21754	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+2K-H"	76.91904
"1088272"	398.01854	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2K-H"	76.91904
"143993"	360.062658	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"2M+2K"	77.926316
"583556"	520.612408	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"3M+2K"	77.926316
"1077915"	199.512908	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2K"	77.926316
"1102382"	400.033092	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2K+H"	78.933592
"1342047"	400.120707	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+DMSO+H"	79.021207
"1008388"	404.159876	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2ACN+H"	83.060376
"1528701"	405.153508	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+IsoProp+Na+H"	84.054008
"992958"	202.583576	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+2ACN+2H"	84.067652
"1589286"	406.068128	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+K+HCOOH"	84.968628
"1417499"	436.099638	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+H+CF3COOH"	115.000138
"1149975"	223.096851	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+3ACN+2H"	125.094202
"1697461"	453.126185	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+NH4+CF3COOH"	132.026685
"1637366"	458.08158	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+Na+CF3COOH"	136.98208
"1571923"	474.05552	"C04544"	"gamma-L-Glutamyl-L-cysteinyl-beta-alanine"	"C11H19N3O6S"	"321.0995"	"M+K+CF3COOH"	152.95602
"815413"	190.0841	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M"	0
"989075"	171.06571	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-H2O-H"	-19.01839
"76096"	125.715457333333	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M-3H"	-3.021828
"517120"	189.076824	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M-3H"	-3.021828
"890181"	62.3540906666667	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-3H"	-3.021828
"9852"	189.076824	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M-2H"	-2.014552
"450504"	284.118874	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M-2H"	-2.014552
"823936"	94.034774	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-2H"	-2.014552
"88302"	379.160924	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M-H"	-1.007276
"527862"	569.245024	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M-H"	-1.007276
"904936"	189.076824	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-H"	-1.007276
"55667"	396.187471	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M-2H+NH4"	16.019271
"497415"	586.271571	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M-2H+NH4"	16.019271
"873031"	206.103371	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-2H+NH4"	16.019271
"38745"	401.142866	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M-2H+Na"	20.974666
"479396"	591.226966	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M-2H+Na"	20.974666
"852825"	211.058766	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-2H+Na"	20.974666
"1623452"	211.058766	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Na-2H"	20.974666
"97794"	207.065163	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M-H+Cl"	33.962126
"535287"	302.107213	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M-H+Cl"	33.962126
"931960"	112.023113	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-H+Cl"	33.962126
"275985"	415.137602	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+Cl"	34.969402
"667313"	605.221702	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+Cl"	34.969402
"1276436"	225.053502	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Cl"	34.969402
"17046"	417.116806	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M-2H+K"	36.948606
"456728"	607.200906	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M-2H+K"	36.948606
"833270"	227.032706	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-2H+K"	36.948606
"1566406"	227.032706	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+K-2H"	36.948606
"956850"	235.082294	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-H+HCOOH"	44.998194
"371052"	425.166401	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+HCOOH-H"	44.998201
"359677"	439.182051	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+Hac-H"	59.013851
"1506322"	249.097951	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Hac-H"	59.013851
"972409"	257.064251	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-H+NaCOOH"	66.980151
"124842"	225.053502	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+2Cl"	69.938804
"563797"	320.095552	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+2Cl"	69.938804
"1034781"	130.011452	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2Cl"	69.938804
"1255453"	269.002985	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Br"	78.918885
"1313159"	271.058972	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Cl+HCOOH"	80.974872
"1326280"	293.040929	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Cl+NaCOOH"	102.956829
"921712"	303.069686	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M-H+CF3COOH"	112.985586
"1299513"	339.046364	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Cl+CF3COOH"	148.962264
"1379132"	155.071424	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H-2H2O"	-35.012676
"1395172"	173.0814	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H-H2O"	-17.0027
"293036"	381.175476	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+H"	1.007276
"687645"	571.259576	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+H"	1.007276
"1358163"	191.091376	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H"	1.007276
"127776"	191.091376	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+2H"	2.014552
"567700"	286.133426	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+2H"	2.014552
"1040869"	96.049326	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2H"	2.014552
"205369"	127.730009333333	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+3H"	3.021828
"646874"	191.091376	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+3H"	3.021828
"1165000"	64.3686426666667	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+3H"	3.021828
"427178"	398.202023	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+NH4"	18.033823
"798025"	588.286123	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+NH4"	18.033823
"1691077"	208.117923	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+NH4"	18.033823
"340447"	199.6046495	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+H+NH4"	19.041099
"729586"	294.6466995	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+H+NH4"	19.041099
"1487779"	104.5625995	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H+NH4"	19.041099
"399899"	403.157418	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+Na"	22.989218
"761988"	593.241518	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+Na"	22.989218
"1614460"	213.073318	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Na"	22.989218
"320125"	202.082347	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+H+Na"	23.996494
"711452"	297.124397	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+H+Na"	23.996494
"1465638"	107.040297	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H+Na"	23.996494
"1065080"	71.6959566666667	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2H+Na"	25.00377
"1263482"	223.117586	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+CH3OH+H"	33.033486
"386429"	419.131358	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+K"	38.963158
"748518"	609.215458	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+K"	38.963158
"1550571"	229.047258	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+K"	38.963158
"303374"	210.069317	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+H+K"	39.970434
"697984"	305.111367	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+H+K"	39.970434
"1448524"	115.027267	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H+K"	39.970434
"237126"	422.202026	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+ACN+H"	42.033826
"1213113"	232.117926	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+ACN+H"	42.033826
"1198090"	116.562601	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+ACN+2H"	43.041102
"188851"	425.13936	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+2Na-H"	44.97116
"629183"	615.22346	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+2Na-H"	44.97116
"1131636"	235.05526	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2Na-H"	44.97116
"173106"	213.073318	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+2Na"	45.978436
"614693"	308.115368	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+2Na"	45.978436
"1118564"	118.031268	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2Na"	45.978436
"1403912"	79.0232706666667	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H+2Na"	46.985712
"1434935"	237.096846	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H+HCOOH"	47.012746
"222805"	218.10634	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+3H2O+2H"	56.04448
"1519622"	251.14889	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+IsoProp+H"	61.06479
"414572"	221.060288	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+Na+K"	61.952376
"781762"	316.102338	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+Na+K"	61.952376
"1676271"	126.018238	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Na+K"	61.952376
"259511"	444.183968	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+ACN+Na"	64.015768
"1228941"	254.099868	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+ACN+Na"	64.015768
"1717828"	254.123393	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+NH4+HCOOH"	64.039293
"1183182"	86.3505846666667	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+3Na"	68.967654
"1657447"	259.078788	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Na+HCOOH"	68.994688
"165401"	457.08724	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+2K-H"	76.91904
"606056"	647.17134	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+2K-H"	76.91904
"1086557"	267.00314	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2K-H"	76.91904
"145197"	229.047258	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"2M+2K"	77.926316
"589141"	324.089308	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"3M+2K"	77.926316
"1071467"	134.005208	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2K"	77.926316
"1102492"	269.017692	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2K+H"	78.933592
"1339967"	269.105307	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+DMSO+H"	79.021207
"1010682"	273.144476	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2ACN+H"	83.060376
"1526743"	274.138108	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+IsoProp+Na+H"	84.054008
"990883"	137.075876	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+2ACN+2H"	84.067652
"1588666"	275.052728	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+K+HCOOH"	84.968628
"1416513"	305.084238	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+H+CF3COOH"	115.000138
"1154458"	157.589151	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+3ACN+2H"	125.094202
"1701823"	322.110785	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+NH4+CF3COOH"	132.026685
"1636380"	327.06618	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+Na+CF3COOH"	136.98208
"1571666"	343.04012	"C04546"	"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate"	"C8H14O5"	"190.0841"	"M+K+CF3COOH"	152.95602
"810055"	272.1049	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M"	0
"989065"	253.08651	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"72926"	180.395990666667	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"518005"	271.097624	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"888104"	89.6943573333333	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"7775"	271.097624	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"444054"	407.150074	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"825139"	135.045174	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"90234"	543.202524	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"527971"	815.307424	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"905410"	271.097624	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"55778"	560.229071	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"496430"	832.333971	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"874600"	288.124171	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"36667"	565.184466	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"481329"	837.289366	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"858401"	293.079566	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1621375"	293.079566	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"97903"	289.085963	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"535276"	425.138413	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"930976"	153.033513	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"271721"	579.179202	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"666329"	851.284102	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1275452"	307.074302	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"17156"	581.158406	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"458662"	853.263306	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"838650"	309.053506	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1567609"	309.053506	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"957570"	317.103094	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"366787"	589.208001	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"359787"	603.223651	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1505947"	331.118751	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"973127"	339.085051	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"125194"	307.074302	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"565489"	443.126752	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1035862"	171.021852	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1255195"	351.023785	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1314362"	353.079772	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1326754"	375.061729	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"918541"	385.090486	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1299623"	421.067164	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1380335"	237.092224	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1395647"	255.1022	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"295697"	545.217076	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"687025"	817.321976	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1358273"	273.112176	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"130072"	273.112176	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"568173"	409.164626	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1039888"	137.059726	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"209609"	182.410542666667	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"646984"	273.112176	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1166203"	91.7089093333333	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"427288"	562.243623	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"799228"	834.348523	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1693373"	290.138723	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"342744"	281.6254495	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"729696"	417.6778995	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1484609"	145.5729995	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"397822"	567.199018	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"765378"	839.303918	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1612383"	295.094118	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"321328"	284.103147	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"711562"	420.155597	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1466477"	148.050697	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1058628"	99.0362233333333	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1264685"	305.138386	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"388727"	583.172958	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"750817"	855.277858	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1551775"	311.068058	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"305670"	292.090117	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"697001"	428.142567	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1453010"	156.037667	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"239422"	586.243626	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1213224"	314.138726	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1202575"	157.573001	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"189615"	589.18096	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"629171"	861.28586	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1132189"	317.07606	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"175973"	295.094118	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"613544"	431.146568	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1116283"	159.041668	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1403293"	106.363537333333	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1435409"	319.117646	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"224738"	300.12714	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1516816"	333.16969	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"412129"	303.081088	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"778592"	439.133538	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1674195"	167.028638	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"262538"	608.225568	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1230509"	336.120668	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1717938"	336.144193	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1185479"	113.690851333333	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1657557"	341.099588	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"165511"	621.12884	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"607259"	893.23374	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1088491"	349.02394	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"143485"	311.068058	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"585970"	447.120508	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1071575"	175.015608	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1100899"	351.038492	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1337158"	351.126107	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1007875"	355.165276	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1525149"	356.158908	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"993180"	178.086276	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1588168"	357.073528	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1417717"	387.105038	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1156756"	198.599551	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1705213"	404.131585	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1639770"	409.08698	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1572143"	425.06092	"C04547"	"12-Bis(4-hydroxy-3-methoxyphenyl)ethylene"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"810165"	167.0946	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M"	0
"989839"	148.07621	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"73036"	110.389124	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"516974"	166.087324	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"887121"	54.690924	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"6792"	166.087324	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"444164"	249.634624	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"825249"	82.540024	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"89615"	333.181924	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"525895"	500.276524	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"904427"	166.087324	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"59169"	350.208471	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"496541"	517.303071	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"875436"	183.113871	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"44431"	355.163866	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"482897"	522.258466	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"858513"	188.069266	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1621485"	188.069266	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"98014"	184.075663	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"536480"	267.622963	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"933274"	100.528363	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"274018"	369.158602	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"666439"	536.253202	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1274953"	202.064002	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"18236"	371.137806	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"459865"	538.232406	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"838760"	204.043206	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1567719"	204.043206	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"954152"	212.092794	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"367262"	379.187401	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"358439"	393.203051	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1503626"	226.108451	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"970075"	234.074751	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"121898"	202.064002	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"562917"	285.611302	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1032080"	118.516702	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1255304"	246.013485	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1312285"	248.069472	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1324675"	270.051429	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"915733"	280.080186	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1293171"	316.056864	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1372425"	132.081924	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1387736"	150.0919	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"289609"	335.196476	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"682032"	502.291076	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1354009"	168.101876	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"128359"	168.101876	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"567555"	251.649176	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1038661"	84.554576	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"205711"	112.403676	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"645999"	168.101876	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1165219"	56.705476	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"425089"	352.223023	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"792776"	519.317623	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1690204"	185.128423	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"338481"	176.6151495	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"728713"	260.1624495	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1483626"	93.0678495	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"396838"	357.178418	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"765488"	524.273018	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1611400"	190.083818	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"320708"	179.092847	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"717139"	262.640147	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1466951"	95.545547	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1060923"	64.03279	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1262609"	200.128086	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"385556"	373.152358	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"749833"	540.246958	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1551885"	206.057758	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"309060"	187.079817	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"701483"	270.627117	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1449838"	103.532517	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"236615"	376.223026	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1211388"	209.128426	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1195636"	105.067851	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"188991"	379.16036	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"629281"	546.25496	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1131818"	212.06576	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"176083"	190.083818	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"613333"	273.631118	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1116717"	106.536518	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1403403"	71.360104	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1435883"	214.107346	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"224850"	195.11684	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1517290"	228.15939	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"411875"	198.070788	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"776879"	281.618088	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1675397"	114.523488	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"262648"	398.204968	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1228796"	231.110368	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1715861"	231.133893	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1182309"	78.687418	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1656574"	236.089288	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"166714"	411.10824	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"608462"	578.20284	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1086778"	244.01364	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"144323"	206.057758	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"585351"	289.605058	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1072778"	122.510458	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1101739"	246.028192	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1337754"	246.115807	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1007620"	250.154976	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1526110"	251.148608	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"993290"	125.581126	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1588521"	252.063228	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1415761"	282.094738	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1155772"	146.094401	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1700219"	299.121285	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1639880"	304.07668	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1571524"	320.05062	"C04548"	"Synephrine;(-)-Synephrine;1-(4-Hydroxyphenyl)-2-(methylamino)ethanol"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"810277"	360.0845	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M"	0
"989366"	341.06611	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"74245"	239.049057333333	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"517573"	359.077224	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"890512"	119.020890666667	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"10181"	359.077224	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"454114"	539.119474	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"818068"	179.034974	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"87536"	719.161724	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"526005"	1079.246224	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"901618"	359.077224	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"51620"	736.188271	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"497742"	1096.272771	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"875546"	376.103771	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"45635"	741.143666	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"486654"	1101.228166	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"850240"	381.059166	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1625970"	381.059166	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"102497"	377.065563	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"538776"	557.107813	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"932290"	197.023313	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"276315"	755.138402	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"665455"	1115.222902	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1277856"	395.053902	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"16525"	757.117606	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"457788"	1117.202106	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"846531"	397.033106	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1566744"	397.033106	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"954262"	405.082694	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"372115"	765.167201	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"360374"	779.182851	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1508072"	419.098351	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"974050"	427.064651	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"119821"	395.053902	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"560475"	575.096152	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1030367"	215.011652	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1248853"	439.003385	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1309114"	441.059372	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1321142"	463.041329	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"915479"	473.070086	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1293282"	509.046764	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1371442"	325.071824	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1387846"	343.0818	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"287533"	721.176276	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"678861"	1081.260776	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1354124"	361.091776	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"127012"	361.091776	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"565839"	541.134026	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1037311"	181.049526	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"206547"	241.063609333333	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"644237"	361.091776	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1164604"	121.035442666667	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"434080"	738.202823	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"791064"	1098.287323	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1685937"	378.118323	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"338591"	369.6050495	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"728824"	549.6472995	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1484102"	189.5627995	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"401325"	743.158218	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"762319"	1103.242718	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1607501"	383.073718	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"321547"	372.082747	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"716156"	552.124997	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1471070"	192.040497	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1061035"	128.362756666667	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1267087"	393.117986	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"381288"	759.132158	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"747752"	1119.216658	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1545433"	399.047658	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"306983"	380.069717	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"696127"	560.111967	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1454320"	200.027467	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"242924"	762.202826	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1213445"	402.118326	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1195141"	201.562801	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"190442"	765.14016	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"628903"	1125.22466	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1131763"	405.05566	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"173272"	383.073718	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"612958"	563.115968	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1115741"	203.031468	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1399622"	135.690070666667	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1431619"	407.097246	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"229341"	388.10674	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1511204"	421.14929	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"412348"	391.060688	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"783187"	571.102938	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1668586"	211.018438	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"255470"	784.184768	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1228541"	424.100268	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1715241"	424.123793	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1187886"	143.017384666667	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1661059"	429.079188	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"165734"	797.08804	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"600919"	1157.17254	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1087618"	437.00354	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"144435"	399.047658	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"581805"	579.089908	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1080183"	219.005408	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1106100"	439.018092	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1337378"	439.105707	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1008094"	443.144876	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1526950"	444.138508	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"997774"	222.076076	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1590091"	445.053128	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1415871"	475.084638	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1149318"	242.589351	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1700329"	492.111185	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1635618"	497.06658	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1574552"	513.04052	"C04552"	"Chrysosplenol D;345-Trihydroxy-367-trimethoxyflavone"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"810387"	186.0164	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M"	0
"989274"	166.99801	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"71075"	123.003657333333	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"517684"	185.009124	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"891716"	60.9981906666667	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"13572"	185.009124	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"454225"	278.017324	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"829841"	92.000924	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"82179"	371.025524	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"528302"	557.041924	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"906833"	185.009124	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"58292"	388.052071	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"497488"	574.068471	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"873472"	202.035671	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"40278"	393.007466	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"482025"	579.023866	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"852537"	206.991066	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1624988"	206.991066	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"101516"	202.997463	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"543262"	296.005663	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"937869"	109.989263	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"274239"	407.002202	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"669576"	593.018602	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1275782"	220.985802	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"22713"	408.981406	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"458992"	594.997806	"C04553"	"3-Carboxy-25-dihydro-5-oxofuran-2-acetate;4-Carboxy-25-dihydro-2-oxofuran-5-acetate"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
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"808308"	434.3396	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M"	0
"988409"	415.32121	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-H2O-H"	-19.01839
"67905"	288.552457333333	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M-3H"	-3.021828
"516210"	433.332324	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M-3H"	-3.021828
"892918"	143.772590666667	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-3H"	-3.021828
"10401"	433.332324	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M-2H"	-2.014552
"452877"	650.502124	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M-2H"	-2.014552
"826671"	216.162524	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-2H"	-2.014552
"82289"	867.671924	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M-H"	-1.007276
"525132"	1302.011524	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M-H"	-1.007276
"901838"	433.332324	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-H"	-1.007276
"58402"	884.698471	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M-2H+NH4"	16.019271
"497962"	1319.038071	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M-2H+NH4"	16.019271
"874674"	450.358871	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-2H+NH4"	16.019271
"38201"	889.653866	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M-2H+Na"	20.974666
"478855"	1323.993466	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M-2H+Na"	20.974666
"854469"	455.314266	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-2H+Na"	20.974666
"1624004"	455.314266	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Na-2H"	20.974666
"101625"	451.320663	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M-H+Cl"	33.962126
"544465"	668.490463	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M-H+Cl"	33.962126
"937978"	234.150863	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-H+Cl"	33.962126
"277629"	903.648602	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+Cl"	34.969402
"668958"	1337.988202	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+Cl"	34.969402
"1276985"	469.309002	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Cl"	34.969402
"19542"	905.627806	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M-2H+K"	36.948606
"459466"	1339.967406	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M-2H+K"	36.948606
"843472"	471.288206	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-2H+K"	36.948606
"1561497"	471.288206	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+K-2H"	36.948606
"954848"	479.337794	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-H+HCOOH"	44.998194
"373429"	913.677401	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+HCOOH-H"	44.998201
"356585"	927.693051	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+Hac-H"	59.013851
"1503229"	493.353451	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Hac-H"	59.013851
"967489"	501.319751	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-H+NaCOOH"	66.980151
"116760"	469.309002	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+2Cl"	69.938804
"558508"	686.478802	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+2Cl"	69.938804
"1029493"	252.139202	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2Cl"	69.938804
"1247979"	513.258485	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Br"	78.918885
"1311523"	515.314472	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Cl+HCOOH"	80.974872
"1322457"	537.296429	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Cl+NaCOOH"	102.956829
"913513"	547.325186	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M-H+CF3COOH"	112.985586
"1291314"	583.301864	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Cl+CF3COOH"	148.962264
"1370569"	399.326924	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H-2H2O"	-35.012676
"1384420"	417.3369	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H-H2O"	-17.0027
"286660"	869.686476	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+H"	1.007276
"681269"	1304.026076	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+H"	1.007276
"1355437"	435.346876	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H"	1.007276
"128324"	435.346876	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+2H"	2.014552
"568976"	652.516676	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+2H"	2.014552
"1038988"	218.177076	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2H"	2.014552
"205428"	290.567009333333	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+3H"	3.021828
"645596"	435.346876	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+3H"	3.021828
"1163230"	145.787142666667	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+3H"	3.021828
"436490"	886.713023	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+NH4"	18.033823
"798211"	1321.052623	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+NH4"	18.033823
"1691625"	452.373423	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+NH4"	18.033823
"338810"	443.8601495	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+H+NH4"	19.041099
"730501"	661.0299495	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+H+NH4"	19.041099
"1485051"	226.6903495	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H+NH4"	19.041099
"402637"	891.668418	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+Na"	22.989218
"764725"	1326.008018	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+Na"	22.989218
"1608450"	457.328818	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Na"	22.989218
"321767"	446.337847	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+H+Na"	23.996494
"713095"	663.507647	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+H+Na"	23.996494
"1469102"	229.168047	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H+Na"	23.996494
"1060162"	153.114456666667	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2H+Na"	25.00377
"1267307"	467.373086	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+CH3OH+H"	33.033486
"383695"	907.642358	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+K"	38.963158
"746881"	1341.981958	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+K"	38.963158
"1544563"	473.302758	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+K"	38.963158
"303925"	454.324817	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+H+K"	39.970434
"697441"	671.494617	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+H+K"	39.970434
"1450167"	237.155017	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H+K"	39.970434
"243141"	910.713026	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+ACN+H"	42.033826
"1211479"	476.373426	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+ACN+H"	42.033826
"1196821"	238.690351	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+ACN+2H"	43.041102
"189082"	913.65036	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+2Na-H"	44.97116
"629615"	1347.98996	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+2Na-H"	44.97116
"1132756"	479.31076	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2Na-H"	44.97116
"173017"	457.328818	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+2Na"	45.978436
"612865"	674.498618	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+2Na"	45.978436
"1115659"	240.159018	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2Na"	45.978436
"1398493"	160.441770666667	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H+2Na"	46.985712
"1431960"	481.352346	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H+HCOOH"	47.012746
"235031"	462.36184	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+3H2O+2H"	56.04448
"1516531"	495.40439	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+IsoProp+H"	61.06479
"420590"	465.315788	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+Na+K"	61.952376
"778304"	682.485588	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+Na+K"	61.952376
"1671722"	248.145988	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Na+K"	61.952376
"255690"	932.694968	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+ACN+Na"	64.015768
"1230585"	498.355368	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+ACN+Na"	64.015768
"1720566"	498.378893	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+NH4+HCOOH"	64.039293
"1185919"	167.769084666667	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+3Na"	68.967654
"1654720"	503.334288	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Na+HCOOH"	68.994688
"161580"	945.59824	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+2K-H"	76.91904
"598587"	1379.93784	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+2K-H"	76.91904
"1086742"	511.25864	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2K-H"	76.91904
"144289"	473.302758	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"2M+2K"	77.926316
"586402"	690.472558	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"3M+2K"	77.926316
"1069823"	256.132958	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2K"	77.926316
"1105225"	513.273192	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2K+H"	78.933592
"1339424"	513.360807	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+DMSO+H"	79.021207
"1006121"	517.399976	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2ACN+H"	83.060376
"1524291"	518.393608	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+IsoProp+Na+H"	84.054008
"991434"	259.203626	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+2ACN+2H"	84.067652
"1589218"	519.308228	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+K+HCOOH"	84.968628
"1417065"	549.339738	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+H+CF3COOH"	115.000138
"1152820"	279.716901	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+3ACN+2H"	125.094202
"1702372"	566.366285	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+NH4+CF3COOH"	132.026685
"1635472"	571.32168	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+Na+CF3COOH"	136.98208
"1572585"	587.29562	"C04554"	"3alpha7alpha-Dihydroxy-5beta-cholestanate;3alpha7alpha-Dihydroxy-5beta-cholestanoate"	"C27H46O4"	"434.3396"	"M+K+CF3COOH"	152.95602
"808418"	368.1657	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M"	0
"989814"	349.14731	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-H2O-H"	-19.01839
"77858"	244.436524	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M-3H"	-3.021828
"518478"	367.158424	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M-3H"	-3.021828
"895634"	121.714624	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-3H"	-3.021828
"13792"	367.158424	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M-2H"	-2.014552
"454446"	551.241274	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M-2H"	-2.014552
"828968"	183.075574	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-2H"	-2.014552
"85679"	735.324124	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M-H"	-1.007276
"532655"	1103.489824	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M-H"	-1.007276
"905230"	367.158424	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-H"	-1.007276
"59971"	752.350671	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M-2H+NH4"	16.019271
"494792"	1120.516371	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M-2H+NH4"	16.019271
"876605"	384.184971	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-2H+NH4"	16.019271
"42685"	757.306066	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M-2H+Na"	20.974666
"483340"	1125.471766	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M-2H+Na"	20.974666
"855673"	389.140366	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-2H+Na"	20.974666
"1623021"	389.140366	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Na-2H"	20.974666
"102830"	385.146763	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M-H+Cl"	33.962126
"546762"	569.229613	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M-H+Cl"	33.962126
"934810"	201.063913	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-H+Cl"	33.962126
"275553"	771.300802	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+Cl"	34.969402
"667975"	1139.466502	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+Cl"	34.969402
"1277097"	403.135102	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Cl"	34.969402
"23663"	773.280006	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M-2H+K"	36.948606
"461397"	1141.445706	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M-2H+K"	36.948606
"845769"	405.114306	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-2H+K"	36.948606
"1564887"	405.114306	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+K-2H"	36.948606
"954593"	413.163894	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-H+HCOOH"	44.998194
"373175"	781.329601	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+HCOOH-H"	44.998201
"357058"	795.345251	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+Hac-H"	59.013851
"1502610"	427.179551	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Hac-H"	59.013851
"967964"	435.145851	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-H+NaCOOH"	66.980151
"117963"	403.135102	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+2Cl"	69.938804
"555336"	587.217952	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+2Cl"	69.938804
"1025593"	219.052252	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2Cl"	69.938804
"1244441"	447.084585	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Br"	78.918885
"1308714"	449.140572	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Cl+HCOOH"	80.974872
"1322931"	471.122529	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Cl+NaCOOH"	102.956829
"914717"	481.151286	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M-H+CF3COOH"	112.985586
"1292881"	517.127964	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Cl+CF3COOH"	148.962264
"1372866"	333.153024	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H-2H2O"	-35.012676
"1387081"	351.163	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H-H2O"	-17.0027
"286771"	737.338676	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+H"	1.007276
"680286"	1105.504376	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+H"	1.007276
"1356641"	369.172976	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H"	1.007276
"127706"	369.172976	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+2H"	2.014552
"566413"	553.255826	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+2H"	2.014552
"1037883"	185.090126	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2H"	2.014552
"205054"	246.451076	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+3H"	3.021828
"644615"	369.172976	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+3H"	3.021828
"1162770"	123.729176	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+3H"	3.021828
"435505"	754.365223	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+NH4"	18.033823
"796497"	1122.530923	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+NH4"	18.033823
"1693922"	386.199523	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+NH4"	18.033823
"338920"	377.6862495	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+H+NH4"	19.041099
"730247"	561.7690995	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+H+NH4"	19.041099
"1485161"	193.6033995	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H+NH4"	19.041099
"406027"	759.320618	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+Na"	22.989218
"763741"	1127.486318	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+Na"	22.989218
"1607466"	391.154918	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Na"	22.989218
"321877"	380.163947	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+H+Na"	23.996494
"716485"	564.246797	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+H+Na"	23.996494
"1469212"	196.081097	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H+Na"	23.996494
"1060271"	131.05649	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2H+Na"	25.00377
"1268511"	401.199186	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+CH3OH+H"	33.033486
"382712"	775.294558	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+K"	38.963158
"749177"	1143.460258	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+K"	38.963158
"1546859"	407.128858	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+K"	38.963158
"309501"	388.150917	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+H+K"	39.970434
"703016"	572.233767	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+H+K"	39.970434
"1452463"	204.068067	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H+K"	39.970434
"243250"	778.365226	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+ACN+H"	42.033826
"1213045"	410.199526	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+ACN+H"	42.033826
"1199846"	205.603401	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+ACN+2H"	43.041102
"192718"	781.30256	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+2Na-H"	44.97116
"628614"	1149.46826	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+2Na-H"	44.97116
"1132744"	413.13686	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2Na-H"	44.97116
"173967"	391.154918	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+2Na"	45.978436
"613525"	575.237768	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+2Na"	45.978436
"1116181"	207.072068	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2Na"	45.978436
"1401655"	138.383804	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H+2Na"	46.985712
"1431949"	415.178446	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H+HCOOH"	47.012746
"232588"	396.18794	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+3H2O+2H"	56.04448
"1517734"	429.23049	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+IsoProp+H"	61.06479
"416326"	399.141888	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+Na+K"	61.952376
"778415"	583.224738	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+Na+K"	61.952376
"1674021"	215.059038	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Na+K"	61.952376
"255800"	800.347168	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+ACN+Na"	64.015768
"1228508"	432.181468	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+ACN+Na"	64.015768
"1720676"	432.204993	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+NH4+HCOOH"	64.039293
"1188217"	145.711118	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+3Na"	68.967654
"1655922"	437.160388	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Na+HCOOH"	68.994688
"162784"	813.25044	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+2K-H"	76.91904
"597604"	1181.41614	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+2K-H"	76.91904
"1085032"	445.08474	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2K-H"	76.91904
"143671"	407.128858	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"2M+2K"	77.926316
"582505"	591.211708	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"3M+2K"	77.926316
"1069326"	223.046008	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2K"	77.926316
"1103149"	447.099292	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2K+H"	78.933592
"1338805"	447.186907	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+DMSO+H"	79.021207
"1006114"	451.226076	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2ACN+H"	83.060376
"1524685"	452.219708	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+IsoProp+Na+H"	84.054008
"991545"	226.116676	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+2ACN+2H"	84.067652
"1592609"	453.134328	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+K+HCOOH"	84.968628
"1418270"	483.165838	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+H+CF3COOH"	115.000138
"1150745"	246.629951	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+3ACN+2H"	125.094202
"1701391"	500.192385	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+NH4+CF3COOH"	132.026685
"1635582"	505.14778	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+Na+CF3COOH"	136.98208
"1574882"	521.12172	"C04555"	"Dehydroepiandrosterone sulfate;3beta-Hydroxyandrost-5-en-17-one 3-sulfate;DHEA sulfate"	"C19H28O5S"	"368.1657"	"M+K+CF3COOH"	152.95602
"808528"	219.0409	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M"	0
"989118"	200.02251	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-H2O-H"	-19.01839
"75778"	145.019990666667	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M-3H"	-3.021828
"516431"	218.033624	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M-3H"	-3.021828
"893382"	72.0063573333333	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-3H"	-3.021828
"10620"	218.033624	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M-2H"	-2.014552
"450180"	327.554074	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M-2H"	-2.014552
"828713"	108.513174	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-2H"	-2.014552
"84696"	437.074524	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M-H"	-1.007276
"529362"	656.115424	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M-H"	-1.007276
"907892"	218.033624	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-H"	-1.007276
"61175"	454.101071	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M-2H+NH4"	16.019271
"498548"	673.141971	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M-2H+NH4"	16.019271
"876715"	235.060171	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-2H+NH4"	16.019271
"43888"	459.056466	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M-2H+Na"	20.974666
"484544"	678.097366	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M-2H+Na"	20.974666
"857970"	240.015566	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-2H+Na"	20.974666
"1620578"	240.015566	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Na-2H"	20.974666
"96744"	236.021963	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M-H+Cl"	33.962126
"538126"	345.542413	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M-H+Cl"	33.962126
"934922"	126.501513	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-H+Cl"	33.962126
"270197"	473.051202	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+Cl"	34.969402
"669181"	692.092102	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+Cl"	34.969402
"1280487"	254.010302	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Cl"	34.969402
"21949"	475.030406	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M-2H+K"	36.948606
"461510"	694.071306	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M-2H+K"	36.948606
"836763"	255.989506	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-2H+K"	36.948606
"1564997"	255.989506	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+K-2H"	36.948606
"951787"	264.039094	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-H+HCOOH"	44.998194
"371097"	483.080001	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+HCOOH-H"	44.998201
"352793"	497.095651	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+Hac-H"	59.013851
"1495430"	278.054751	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Hac-H"	59.013851
"962604"	286.021051	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-H+NaCOOH"	66.980151
"115882"	254.010302	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+2Cl"	69.938804
"552892"	363.530752	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+2Cl"	69.938804
"1023153"	144.489852	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2Cl"	69.938804
"1244914"	297.959785	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Br"	78.918885
"1308091"	300.015772	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Cl+HCOOH"	80.974872
"1320607"	321.997729	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Cl+NaCOOH"	102.956829
"916645"	332.026486	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M-H+CF3COOH"	112.985586
"1294083"	368.003164	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Cl+CF3COOH"	148.962264
"1374066"	184.028224	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H-2H2O"	-35.012676
"1389011"	202.0382	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H-H2O"	-17.0027
"284326"	439.089076	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+H"	1.007276
"678206"	658.129976	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+H"	1.007276
"1353472"	220.048176	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H"	1.007276
"128545"	220.048176	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+2H"	2.014552
"566281"	329.568626	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+2H"	2.014552
"1037262"	110.527726	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2H"	2.014552
"204435"	147.034542666667	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+3H"	3.021828
"644362"	220.048176	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+3H"	3.021828
"1163213"	74.0209093333333	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+3H"	3.021828
"436708"	456.115623	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+NH4"	18.033823
"796607"	675.156523	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+NH4"	18.033823
"1692939"	237.074723	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+NH4"	18.033823
"339030"	228.5614495	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+H+NH4"	19.041099
"730357"	338.0818995	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+H+NH4"	19.041099
"1486364"	119.0409995	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H+NH4"	19.041099
"406137"	461.071018	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+Na"	22.989218
"763851"	680.111918	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+Na"	22.989218
"1613043"	242.030118	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Na"	22.989218
"320894"	231.039147	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+H+Na"	23.996494
"716597"	340.559597	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+H+Na"	23.996494
"1473697"	121.518697	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H+Na"	23.996494
"1061475"	81.3482233333333	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2H+Na"	25.00377
"1266435"	252.074386	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+CH3OH+H"	33.033486
"387197"	477.044958	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+K"	38.963158
"750380"	696.085858	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+K"	38.963158
"1548061"	258.004058	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+K"	38.963158
"310703"	239.026117	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+H+K"	39.970434
"705677"	348.546567	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+H+K"	39.970434
"1453666"	129.505667	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H+K"	39.970434
"243361"	480.115626	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+ACN+H"	42.033826
"1213154"	261.074726	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+ACN+H"	42.033826
"1195336"	131.041001	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+ACN+2H"	43.041102
"189666"	483.05296	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+2Na-H"	44.97116
"630321"	702.09386	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+2Na-H"	44.97116
"1133460"	264.01206	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2Na-H"	44.97116
"173586"	242.030118	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+2Na"	45.978436
"614000"	351.550568	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+2Na"	45.978436
"1119334"	132.509668	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2Na"	45.978436
"1401034"	88.6755373333333	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H+2Na"	46.985712
"1433881"	266.053646	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H+HCOOH"	47.012746
"232698"	247.06314	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+3H2O+2H"	56.04448
"1522342"	280.10569	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+IsoProp+H"	61.06479
"416436"	250.017088	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+Na+K"	61.952376
"780711"	359.537538	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+Na+K"	61.952376
"1674860"	140.496638	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Na+K"	61.952376
"255910"	502.097568	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+ACN+Na"	64.015768
"1231898"	283.056668	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+ACN+Na"	64.015768
"1720058"	283.080193	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+NH4+HCOOH"	64.039293
"1190514"	96.0028513333333	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+3Na"	68.967654
"1657126"	288.035588	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Na+HCOOH"	68.994688
"162895"	515.00084	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+2K-H"	76.91904
"599174"	734.04174	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+2K-H"	76.91904
"1085870"	295.95994	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2K-H"	76.91904
"144146"	258.004058	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"2M+2K"	77.926316
"582735"	367.524508	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"3M+2K"	77.926316
"1069069"	148.483608	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2K"	77.926316
"1102165"	297.974492	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2K+H"	78.933592
"1336730"	298.062107	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+DMSO+H"	79.021207
"1007081"	302.101276	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2ACN+H"	83.060376
"1527394"	303.094908	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+IsoProp+Na+H"	84.054008
"994936"	151.554276	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+2ACN+2H"	84.067652
"1592719"	304.009528	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+K+HCOOH"	84.968628
"1422755"	334.041038	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+H+CF3COOH"	115.000138
"1150855"	172.067551	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+3ACN+2H"	125.094202
"1700408"	351.067585	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+NH4+CF3COOH"	132.026685
"1635328"	356.02298	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+Na+CF3COOH"	136.98208
"1574992"	371.99692	"C04556"	"4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine;(4-Amino-2-methylpyrimidin-5-yl)methyl phosphate;4-Amino-5-hydroxymethyl-2-methylpyrimidine phosphate"	"C6H10N3O4P"	"219.0409"	"M+K+CF3COOH"	152.95602
"810827"	156.0423	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M"	0
"989105"	137.02391	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"78419"	103.020924	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"512167"	155.035024	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"892154"	51.006824	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"8545"	155.035024	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"453572"	233.056174	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"829187"	77.013874	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"90275"	311.077324	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"533487"	467.119624	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"908369"	155.035024	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"62709"	328.103871	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"501210"	484.146171	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"878284"	172.061571	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"42906"	333.059266	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"484654"	489.101566	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"859175"	177.016966	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1629800"	177.016966	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"104143"	173.023363	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"544797"	251.044513	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"936126"	95.002213	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"272494"	347.054002	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"666009"	503.096302	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1278412"	191.011702	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"23153"	349.033206	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"461620"	505.075506	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"838331"	192.990906	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1566201"	192.990906	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"951897"	201.040494	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"370114"	357.082801	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"352903"	371.098451	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1498456"	215.056151	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"959920"	223.022451	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"117089"	191.011702	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"551181"	269.032852	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1024357"	112.990552	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1243933"	234.961185	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1307108"	237.017172	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1322786"	258.999129	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"914936"	269.027886	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1292735"	305.004564	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1369441"	121.029624	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1388393"	139.0396	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"284196"	313.091876	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"677952"	469.134176	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1354673"	157.049576	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"128656"	157.049576	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"566875"	235.070726	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1038588"	79.028426	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"205639"	105.035476	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"645199"	157.049576	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1164052"	53.021376	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"437183"	330.118423	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"796717"	486.160723	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1693049"	174.076123	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"339140"	165.5628495	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"735934"	243.5839995	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1488661"	87.5416995	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"406247"	335.073818	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"766149"	491.116118	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1612061"	179.031518	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"325379"	168.040547	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"721812"	246.061697	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1473808"	90.019397	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1063774"	60.34869	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1266547"	189.075786	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"389496"	351.047758	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"750492"	507.090058	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1545984"	195.005458	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"309723"	176.027517	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"704328"	254.048667	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1447213"	98.006367	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"235941"	354.118426	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1210708"	198.076126	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1194387"	99.541701	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"188802"	357.05576	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"629334"	513.09806	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1132719"	201.01346	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"173698"	179.031518	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"613623"	257.052668	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1119079"	101.010368	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1405887"	67.676004	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1436910"	203.055046	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"235607"	184.06454	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1522695"	217.10709	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"419098"	187.018488	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"783375"	265.039638	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1675334"	108.997338	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"257114"	376.100368	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1235289"	220.058068	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1724176"	220.081593	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1190624"	75.003318	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1658330"	225.036988	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"163005"	389.00364	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"599286"	545.04594	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1085981"	232.96134	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"144256"	195.005458	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"582239"	273.026608	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1070401"	116.984308	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1109931"	234.975892	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1340850"	235.063507	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1007313"	239.102676	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1530785"	240.096308	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"998328"	120.054976	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1591736"	241.010928	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1422865"	271.042438	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1155339"	140.568251	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1701611"	288.068985	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1638355"	293.02438	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1575102"	308.99832	"C04558"	"3-Methylmuconolactone;4-Carboxymethyl-3-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"808748"	156.0423	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M"	0
"987753"	137.02391	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"78436"	103.020924	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"511184"	155.035024	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"891171"	51.006824	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"9748"	155.035024	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"453318"	233.056174	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"829297"	77.013874	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"88198"	311.077324	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"533476"	467.119624	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"909572"	155.035024	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"62700"	328.103871	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"502171"	484.146171	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"878395"	172.061571	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"45203"	333.059266	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"485857"	489.101566	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"859285"	177.016966	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1631734"	177.016966	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"108992"	173.023363	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"543814"	251.044513	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"935143"	95.002213	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"279164"	347.054002	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"665026"	503.096302	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1280710"	191.011702	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"22171"	349.033206	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"462825"	505.075506	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"835890"	192.990906	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1566311"	192.990906	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"952007"	201.040494	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"366944"	357.082801	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"349732"	371.098451	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1498566"	215.056151	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"960638"	223.022451	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"113919"	191.011702	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"551657"	269.032852	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1021550"	112.990552	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1242951"	234.961185	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1305030"	237.017172	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1325077"	258.999129	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"915045"	269.027886	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1291388"	305.004564	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1368822"	121.029624	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1386681"	139.0396	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"283455"	313.091876	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"677700"	469.134176	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1354783"	157.049576	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"129494"	157.049576	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"565804"	235.070726	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1037968"	79.028426	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"204654"	105.035476	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"644577"	157.049576	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1163433"	53.021376	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"438021"	330.118423	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"795734"	486.160723	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1694252"	174.076123	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"339250"	165.5628495	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"734951"	243.5839995	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1486584"	87.5416995	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"404170"	335.073818	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"767353"	491.116118	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1611079"	179.031518	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"327555"	168.040547	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"721923"	246.061697	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1470638"	90.019397	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1063884"	60.34869	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1267750"	189.075786	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"388513"	351.047758	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"750600"	507.090058	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1547187"	195.005458	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"307647"	176.027517	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"703345"	254.048667	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1446594"	98.006367	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"235925"	354.118426	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1210454"	198.076126	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1195070"	99.541701	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"188570"	357.05576	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"629689"	513.09806	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1131612"	201.01346	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"173030"	179.031518	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"612978"	257.052668	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1120646"	101.010368	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1402713"	67.676004	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1435925"	203.055046	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"235694"	184.06454	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1524069"	217.10709	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"418480"	187.018488	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"779474"	265.039638	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1675080"	108.997338	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"257224"	376.100368	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1233212"	220.058068	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1726473"	220.081593	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1190734"	75.003318	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1660627"	225.036988	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"163115"	389.00364	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"600487"	545.04594	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1089734"	232.96134	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"144000"	195.005458	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"583567"	273.026608	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1070262"	116.984308	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1104573"	234.975892	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1342053"	235.063507	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1008395"	239.102676	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1528708"	240.096308	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"992970"	120.054976	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1596221"	241.010928	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1420788"	271.042438	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1152169"	140.568251	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1703908"	288.068985	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1638465"	293.02438	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1573389"	308.99832	"C04559"	"4-Methylmuconolactone;4-Carboxymethyl-4-methylbut-2-en-14-olide"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"808858"	208.1099	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M"	0
"988839"	189.09151	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"76477"	137.732657333333	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"511294"	207.102624	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"891281"	68.3626906666667	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"9858"	207.102624	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"451971"	311.157574	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"829043"	103.047674	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"90860"	415.212524	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"533586"	623.322424	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"908954"	207.102624	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"61875"	432.239071	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"501066"	640.348971	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"879113"	224.129171	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"44218"	437.194466	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"484508"	645.304366	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"860487"	229.084566	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1631480"	229.084566	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"106550"	225.090963	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"537363"	329.145913	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"935252"	121.036013	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"272715"	451.189202	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"667323"	659.299102	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1280820"	243.079302	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"22280"	453.168406	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"461476"	661.278306	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"836000"	245.058506	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1567514"	245.058506	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"951024"	253.108094	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"367054"	461.218001	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"349842"	475.233651	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1498676"	267.123751	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"961841"	275.090051	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"114029"	243.079302	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"552496"	347.134252	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1021782"	139.024352	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1242693"	287.028785	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1305870"	289.084772	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1324095"	311.066729	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"915156"	321.095486	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1290405"	357.072164	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1369297"	173.097224	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1387155"	191.1072	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"284657"	417.227076	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"680725"	625.336976	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1353799"	209.117176	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"127051"	209.117176	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"565920"	313.172126	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1037957"	105.062226	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"205005"	139.747209333333	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"644691"	209.117176	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1165366"	70.3772426666667	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"438860"	434.253623	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"795844"	642.363523	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1695455"	226.143723	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"339360"	217.6304495	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"733967"	321.6853995	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1486694"	113.5754995	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"401001"	439.209018	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"767463"	647.318918	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1609002"	231.099118	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"328032"	220.108147	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"721912"	324.163097	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1472935"	116.053197	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1065086"	77.7045566666667	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1270291"	241.143386	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"387527"	455.182958	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"751805"	663.292858	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1546204"	247.073058	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"307757"	228.095117	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"701269"	332.150067	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1447434"	124.040167	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"237498"	458.253626	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1210319"	250.143726	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1194440"	125.575501	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"188691"	461.19096	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"628739"	669.30086	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1131484"	253.08106	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"173183"	231.099118	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"612868"	335.154068	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1115889"	127.044168	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1402093"	85.0318706666667	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1430678"	255.122646	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"235460"	236.13214	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1521091"	269.17469	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"415674"	239.086088	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"780314"	343.141038	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1673001"	135.031138	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"262799"	480.235568	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1239519"	272.125668	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1724396"	272.149193	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1187563"	92.3591846666667	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1655269"	277.104588	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"159944"	493.13884	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"598771"	701.24874	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1086929"	285.02894	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"142409"	247.073058	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"582705"	351.128008	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1070379"	143.018108	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1104683"	287.043492	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1345079"	287.131107	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1011787"	291.170276	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1532099"	292.163908	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"997455"	146.088776	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1598518"	293.078528	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1424178"	323.110038	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1159933"	166.602051	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1707298"	340.136585	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1640762"	345.09198	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1573135"	361.06592	"C04561"	"Benzyl (2R3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"814437"	208.1099	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M"	0
"989519"	189.09151	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"77803"	137.732657333333	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"517602"	207.102624	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"894795"	68.3626906666667	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"14717"	207.102624	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"454642"	311.157574	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"832687"	103.047674	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"93768"	415.212524	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"533086"	623.322424	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"910889"	207.102624	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"62232"	432.239071	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"502763"	640.348971	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"879226"	224.129171	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"46156"	437.194466	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"484987"	645.304366	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"862668"	229.084566	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1633171"	229.084566	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"108972"	225.090963	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"545128"	329.145913	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"940345"	121.036013	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"281574"	451.189202	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"674118"	659.299102	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1283118"	243.079302	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"22390"	453.168406	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"460860"	661.278306	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"840842"	245.058506	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1569080"	245.058506	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"955508"	253.108094	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"374814"	461.218001	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"351046"	475.233651	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1495506"	267.123751	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"961952"	275.090051	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"120699"	243.079302	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"558074"	347.134252	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1026874"	139.024352	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1250462"	287.028785	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1308897"	289.084772	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1323112"	311.066729	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"913446"	321.095486	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1294161"	357.072164	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1370502"	173.097224	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1384717"	191.1072	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"287323"	417.227076	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"683024"	625.336976	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1355002"	209.117176	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"128619"	209.117176	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"567083"	313.172126	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1038800"	105.062226	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"205241"	139.747209333333	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"645894"	209.117176	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1164750"	70.3772426666667	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"438240"	434.253623	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"800209"	642.363523	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1693381"	226.143723	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"341657"	217.6304495	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"734077"	321.6853995	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1490084"	113.5754995	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"406577"	439.209018	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"762107"	647.318918	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1614578"	231.099118	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"320241"	220.108147	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"719223"	324.163097	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1474138"	116.053197	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1066654"	77.7045566666667	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1270156"	241.143386	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"392016"	455.182958	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"750826"	663.292858	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1551782"	247.073058	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"311147"	228.095117	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"703565"	332.150067	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1458846"	124.040167	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"243803"	458.253626	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1213232"	250.143726	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1197113"	125.575501	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"189371"	461.19096	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"629909"	669.30086	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1137061"	253.08106	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"180715"	231.099118	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"616629"	335.154068	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1117582"	127.044168	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1400015"	85.0318706666667	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1431402"	255.122646	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"234967"	236.13214	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1521936"	269.17469	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"419068"	239.086088	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"781522"	343.141038	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1673110"	135.031138	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"265099"	480.235568	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1239269"	272.125668	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1724146"	272.149193	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1190226"	92.3591846666667	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1661939"	277.104588	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"167707"	493.13884	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"600706"	701.24874	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1088862"	285.02894	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"143250"	247.073058	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"582694"	351.128008	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1070489"	143.018108	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1106980"	287.043492	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1340086"	287.131107	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1009710"	291.170276	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1532208"	292.163908	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"996471"	146.088776	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1597535"	293.078528	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1426112"	323.110038	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1161137"	166.602051	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1709594"	340.136585	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1640873"	345.09198	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1572516"	361.06592	"C04562"	"Benzyl (2S3S)-2-methyl-3-hydroxybutanoate"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"809078"	579.895	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M"	0
"986989"	560.87661	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H2O-H"	-19.01839
"77912"	385.589390666667	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-3H"	-3.021828
"518077"	578.887724	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-3H"	-3.021828
"895033"	192.291057333333	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-3H"	-3.021828
"15149"	578.887724	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H"	-2.014552
"454631"	868.835224	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H"	-2.014552
"832430"	288.940224	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H"	-2.014552
"92793"	1158.782724	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H"	-1.007276
"532593"	1738.677724	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H"	-1.007276
"910151"	578.887724	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H"	-1.007276
"61493"	1175.809271	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+NH4"	16.019271
"501541"	1755.704271	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+NH4"	16.019271
"878729"	595.914271	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+NH4"	16.019271
"45537"	1180.764666	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+Na"	20.974666
"484368"	1760.659666	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+Na"	20.974666
"862168"	600.869666	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+Na"	20.974666
"1632065"	600.869666	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na-2H"	20.974666
"106771"	596.876063	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H+Cl"	33.962126
"545237"	886.823563	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H+Cl"	33.962126
"938752"	306.928563	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+Cl"	33.962126
"281444"	1194.759402	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Cl"	34.969402
"671917"	1774.654402	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Cl"	34.969402
"1278853"	614.864402	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl"	34.969402
"21408"	1196.738606	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+K"	36.948606
"460969"	1776.633606	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+K"	36.948606
"835854"	616.843606	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+K"	36.948606
"1570286"	616.843606	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K-2H"	36.948606
"955619"	624.893194	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+HCOOH"	44.998194
"374563"	1204.788201	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+HCOOH-H"	44.998201
"354436"	1218.803851	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Hac-H"	59.013851
"1498896"	638.908851	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Hac-H"	59.013851
"959146"	646.875151	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+NaCOOH"	66.980151
"117529"	614.864402	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Cl"	69.938804
"554902"	904.811902	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Cl"	69.938804
"1024066"	324.916902	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Cl"	69.938804
"1244375"	658.813885	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Br"	78.918885
"1309008"	660.869872	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+HCOOH"	80.974872
"1324318"	682.851829	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+NaCOOH"	102.956829
"917566"	692.880586	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+CF3COOH"	112.985586
"1297554"	728.857264	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+CF3COOH"	148.962264
"1371707"	544.882324	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-2H2O"	-35.012676
"1386286"	562.8923	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-H2O"	-17.0027
"287433"	1160.797276	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H"	1.007276
"684229"	1740.692276	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H"	1.007276
"1354384"	580.902276	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H"	1.007276
"128729"	580.902276	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2H"	2.014552
"566461"	870.849776	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2H"	2.014552
"1038179"	290.954776	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H"	2.014552
"206444"	387.603942666667	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H"	3.021828
"649288"	580.902276	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+3H"	3.021828
"1165588"	194.305609333333	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3H"	3.021828
"435071"	1177.823823	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+NH4"	18.033823
"794974"	1757.718823	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+NH4"	18.033823
"1690211"	597.928823	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4"	18.033823
"338487"	589.4155495	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+NH4"	19.041099
"733094"	879.3630495	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+NH4"	19.041099
"1489101"	299.4680495	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+NH4"	19.041099
"403412"	1182.779218	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na"	22.989218
"764407"	1762.674218	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na"	22.989218
"1613595"	602.884218	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na"	22.989218
"322538"	591.893247	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+Na"	23.996494
"716053"	881.840747	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+Na"	23.996494
"1470967"	301.945747	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+Na"	23.996494
"1062029"	201.632923333333	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H+Na"	25.00377
"1269172"	612.928486	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+CH3OH+H"	33.033486
"388844"	1198.753158	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+K"	38.963158
"749839"	1778.648158	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+K"	38.963158
"1549706"	618.858158	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K"	38.963158
"309067"	599.880217	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+K"	39.970434
"700396"	889.827717	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+K"	39.970434
"1456405"	309.932717	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+K"	39.970434
"241727"	1201.823826	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+H"	42.033826
"1212246"	621.928826	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+H"	42.033826
"1195642"	311.468051	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+2H"	43.041102
"189117"	1204.76116	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na-H"	44.97116
"629407"	1784.65616	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na-H"	44.97116
"1137169"	624.86616	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na-H"	44.97116
"178636"	602.884218	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na"	45.978436
"614064"	892.831718	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na"	45.978436
"1115946"	312.936718	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na"	45.978436
"1399029"	208.960237333333	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+2Na"	46.985712
"1436255"	626.907746	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+HCOOH"	47.012746
"235676"	607.91724	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H2O+2H"	56.04448
"1522775"	640.95979	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+H"	61.06479
"420639"	610.871188	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na+K"	61.952376
"783821"	900.818688	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na+K"	61.952376
"1674315"	320.923688	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+K"	61.952376
"264845"	1223.805768	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+Na"	64.015768
"1237921"	643.910768	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+Na"	64.015768
"1723164"	643.934293	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+HCOOH"	64.039293
"1191067"	216.287551333333	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3Na"	68.967654
"1662052"	648.889688	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+HCOOH"	68.994688
"162351"	1236.70904	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K-H"	76.91904
"601544"	1816.60404	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K-H"	76.91904
"1087151"	656.81404	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K-H"	76.91904
"142146"	618.858158	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K"	77.926316
"586087"	908.805658	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K"	77.926316
"1074974"	328.910658	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K"	77.926316
"1107093"	658.828592	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K+H"	78.933592
"1343478"	658.916207	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+DMSO+H"	79.021207
"1015654"	662.955376	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+H"	83.060376
"1535238"	663.949008	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+Na+H"	84.054008
"999497"	331.981326	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+2H"	84.067652
"1597645"	664.863628	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+HCOOH"	84.968628
"1426586"	694.895138	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+CF3COOH"	115.000138
"1159059"	352.494601	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3ACN+2H"	125.094202
"1705331"	711.921685	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+CF3COOH"	132.026685
"1640983"	716.87708	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+CF3COOH"	136.98208
"1582103"	732.85102	"C04563"	"D-myo-Inositol 12456-pentakisphosphate;1D-myo-Inositol 12456-pentakisphosphate;myo-Inositol 12456-pentakisphosphate;Inositol 12456-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+CF3COOH"	152.95602
"805910"	380.1002	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M"	0
"988194"	361.08181	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-H2O-H"	-19.01839
"75344"	252.392857333333	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M-3H"	-3.021828
"513811"	379.092924	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M-3H"	-3.021828
"893798"	125.692790666667	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-3H"	-3.021828
"15624"	379.092924	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M-2H"	-2.014552
"454124"	569.143024	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M-2H"	-2.014552
"829374"	189.042824	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-2H"	-2.014552
"88635"	759.193124	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M-H"	-1.007276
"526009"	1139.293324	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M-H"	-1.007276
"908915"	379.092924	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-H"	-1.007276
"60740"	776.219671	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M-2H+NH4"	16.019271
"499570"	1156.319871	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M-2H+NH4"	16.019271
"876279"	396.119471	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-2H+NH4"	16.019271
"44543"	781.175066	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M-2H+Na"	20.974666
"485200"	1161.275266	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M-2H+Na"	20.974666
"863581"	401.074866	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-2H+Na"	20.974666
"1633797"	401.074866	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Na-2H"	20.974666
"109561"	397.081263	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M-H+Cl"	33.962126
"549397"	587.131363	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M-H+Cl"	33.962126
"942516"	207.031163	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-H+Cl"	33.962126
"281668"	795.169802	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+Cl"	34.969402
"667649"	1175.270002	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+Cl"	34.969402
"1277866"	415.069602	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Cl"	34.969402
"26991"	797.149006	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M-2H+K"	36.948606
"469836"	1177.249206	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M-2H+K"	36.948606
"845453"	417.048806	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-2H+K"	36.948606
"1568938"	417.048806	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+K-2H"	36.948606
"951356"	425.098394	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-H+HCOOH"	44.998194
"369571"	805.198601	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+HCOOH-H"	44.998201
"355643"	819.214251	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+Hac-H"	59.013851
"1501194"	439.114051	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Hac-H"	59.013851
"968736"	447.080351	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-H+NaCOOH"	66.980151
"122745"	415.069602	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+2Cl"	69.938804
"555010"	605.119702	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+2Cl"	69.938804
"1023447"	225.019502	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2Cl"	69.938804
"1244847"	459.019085	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Br"	78.918885
"1308022"	461.075072	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Cl+HCOOH"	80.974872
"1323335"	483.057029	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Cl+NaCOOH"	102.956829
"913295"	493.085786	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M-H+CF3COOH"	112.985586
"1294386"	529.062464	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Cl+CF3COOH"	148.962264
"1375835"	345.087524	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H-2H2O"	-35.012676
"1386769"	363.0975	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H-H2O"	-17.0027
"288643"	761.207676	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+H"	1.007276
"681063"	1141.307876	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+H"	1.007276
"1355224"	381.107476	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H"	1.007276
"128474"	381.107476	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+2H"	2.014552
"569128"	571.157576	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+2H"	2.014552
"1039019"	191.057376	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2H"	2.014552
"208023"	254.407409333333	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+3H"	3.021828
"657065"	381.107476	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+3H"	3.021828
"1177987"	127.707342666667	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+3H"	3.021828
"436277"	778.234223	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+NH4"	18.033823
"798366"	1158.334423	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+NH4"	18.033823
"1693603"	398.134023	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+NH4"	18.033823
"340787"	389.6207495	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+H+NH4"	19.041099
"736489"	579.6708495	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+H+NH4"	19.041099
"1491403"	199.5706495	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H+NH4"	19.041099
"402427"	783.189618	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+Na"	22.989218
"763420"	1163.289818	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+Na"	22.989218
"1613705"	403.089418	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Na"	22.989218
"318273"	392.098447	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+H+Na"	23.996494
"712882"	582.148547	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+H+Na"	23.996494
"1472170"	202.048347	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H+Na"	23.996494
"1062141"	135.034656666667	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2H+Na"	25.00377
"1263819"	413.133686	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+CH3OH+H"	33.033486
"381302"	799.163558	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+K"	38.963158
"746669"	1179.263758	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+K"	38.963158
"1548722"	419.063358	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+K"	38.963158
"306994"	400.085417	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+H+K"	39.970434
"701603"	590.135517	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+H+K"	39.970434
"1455421"	210.035317	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H+K"	39.970434
"241837"	802.234226	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+ACN+H"	42.033826
"1216731"	422.134026	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+ACN+H"	42.033826
"1201709"	211.570651	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+ACN+2H"	43.041102
"195308"	805.17156	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+2Na-H"	44.97116
"634868"	1185.27176	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+2Na-H"	44.97116
"1134729"	425.07136	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2Na-H"	44.97116
"178747"	403.089418	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+2Na"	45.978436
"618312"	593.139518	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+2Na"	45.978436
"1120001"	213.039318	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2Na"	45.978436
"1410821"	142.361970666667	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H+2Na"	46.985712
"1442935"	427.112946	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H+HCOOH"	47.012746
"232636"	408.12244	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+3H2O+2H"	56.04448
"1521422"	441.16499	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+IsoProp+H"	61.06479
"414916"	411.076388	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+Na+K"	61.952376
"775180"	601.126488	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+Na+K"	61.952376
"1673331"	221.026288	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Na+K"	61.952376
"259851"	824.216168	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+ACN+Na"	64.015768
"1233652"	444.115968	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+ACN+Na"	64.015768
"1717438"	444.139493	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+NH4+HCOOH"	64.039293
"1184248"	149.689284666667	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+3Na"	68.967654
"1658885"	449.094888	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Na+HCOOH"	68.994688
"162464"	837.11944	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+2K-H"	76.91904
"599229"	1217.21964	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+2K-H"	76.91904
"1090913"	457.01924	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2K-H"	76.91904
"151741"	419.063358	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"2M+2K"	77.926316
"589847"	609.113458	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"3M+2K"	77.926316
"1075085"	229.013258	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2K"	77.926316
"1107203"	459.033792	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2K+H"	78.933592
"1337511"	459.121407	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+DMSO+H"	79.021207
"1011023"	463.160576	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2ACN+H"	83.060376
"1534614"	464.154208	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+IsoProp+Na+H"	84.054008
"1003252"	232.083926	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+2ACN+2H"	84.067652
"1594474"	465.068828	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+K+HCOOH"	84.968628
"1420135"	495.100338	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+H+CF3COOH"	115.000138
"1154797"	252.597201	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+3ACN+2H"	125.094202
"1707628"	512.126885	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+NH4+CF3COOH"	132.026685
"1635020"	517.08228	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+Na+CF3COOH"	136.98208
"1578937"	533.05622	"C04572"	"S-(N-Hydroxy-N-methylcarbamoyl)glutathione"	"C12H20N4O8S"	"380.1002"	"M+K+CF3COOH"	152.95602
"801446"	621.0608	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M"	0
"976274"	602.04241	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-H2O-H"	-19.01839
"72174"	413.033257333333	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M-3H"	-3.021828
"512827"	620.053524	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M-3H"	-3.021828
"895004"	206.012990666667	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-3H"	-3.021828
"13216"	620.053524	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H"	-2.014552
"454234"	930.583924	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H"	-2.014552
"830214"	309.523124	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H"	-2.014552
"85465"	1241.114324	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M-H"	-1.007276
"526119"	1862.175124	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M-H"	-1.007276
"909633"	620.053524	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-H"	-1.007276
"60728"	1258.140871	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H+NH4"	16.019271
"498951"	1879.201671	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H+NH4"	16.019271
"875660"	637.080071	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H+NH4"	16.019271
"44290"	1263.096266	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H+Na"	20.974666
"484824"	1884.157066	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H+Na"	20.974666
"863484"	642.035466	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H+Na"	20.974666
"1633380"	642.035466	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na-2H"	20.974666
"109549"	638.041863	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M-H+Cl"	33.962126
"549468"	948.572263	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M-H+Cl"	33.962126
"940428"	327.511463	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+Cl"	33.962126
"281535"	1277.091002	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Cl"	34.969402
"666666"	1898.151802	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+Cl"	34.969402
"1276884"	656.030202	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl"	34.969402
"23819"	1279.070206	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H+K"	36.948606
"467759"	1900.131006	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H+K"	36.948606
"846654"	658.009406	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H+K"	36.948606
"1569048"	658.009406	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+K-2H"	36.948606
"951466"	666.058994	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+HCOOH"	44.998194
"370774"	1287.119801	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+HCOOH-H"	44.998201
"356847"	1301.135451	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Hac-H"	59.013851
"1503491"	680.074651	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Hac-H"	59.013851
"971761"	688.040951	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+NaCOOH"	66.980151
"123220"	656.030202	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2Cl"	69.938804
"554027"	966.560602	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2Cl"	69.938804
"1024286"	345.499802	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2Cl"	69.938804
"1247873"	699.979685	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Br"	78.918885
"1310320"	702.035672	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl+HCOOH"	80.974872
"1324539"	724.017629	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl+NaCOOH"	102.956829
"912678"	734.046386	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+CF3COOH"	112.985586
"1290848"	770.023064	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl+CF3COOH"	148.962264
"1374850"	586.048124	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H-2H2O"	-35.012676
"1390159"	604.0581	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H-H2O"	-17.0027
"287660"	1243.128876	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H"	1.007276
"677893"	1864.189676	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H"	1.007276
"1355332"	622.068076	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H"	1.007276
"129313"	622.068076	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2H"	2.014552
"569967"	932.598476	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2H"	2.014552
"1039129"	311.537676	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2H"	2.014552
"209957"	415.047809333333	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+3H"	3.021828
"656083"	622.068076	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+3H"	3.021828
"1178221"	208.027542666667	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+3H"	3.021828
"435295"	1260.155423	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+NH4"	18.033823
"800543"	1881.216223	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+NH4"	18.033823
"1692985"	639.094623	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+NH4"	18.033823
"340897"	630.5813495	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H+NH4"	19.041099
"736235"	941.1117495	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H+NH4"	19.041099
"1489326"	320.0509495	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+NH4"	19.041099
"403629"	1265.110818	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Na"	22.989218
"761343"	1886.171618	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+Na"	22.989218
"1611628"	644.050018	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na"	22.989218
"316196"	633.059047	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H+Na"	23.996494
"712992"	943.589447	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H+Na"	23.996494
"1472280"	322.528647	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+Na"	23.996494
"1061158"	215.354856666667	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2H+Na"	25.00377
"1267209"	654.094286	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+CH3OH+H"	33.033486
"385785"	1281.084758	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+K"	38.963158
"746778"	1902.145558	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+K"	38.963158
"1548833"	660.023958	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+K"	38.963158
"307103"	641.046017	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H+K"	39.970434
"701713"	951.576417	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H+K"	39.970434
"1455531"	330.515617	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+K"	39.970434
"241947"	1284.155426	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+ACN+H"	42.033826
"1217935"	663.094626	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+ACN+H"	42.033826
"1199633"	332.050951	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+ACN+2H"	43.041102
"194325"	1287.09276	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2Na-H"	44.97116
"634613"	1908.15356	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2Na-H"	44.97116
"1134109"	666.03196	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2Na-H"	44.97116
"176670"	644.050018	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2Na"	45.978436
"620611"	954.580418	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2Na"	45.978436
"1123027"	333.519618	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2Na"	45.978436
"1413122"	222.682170666667	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+2Na"	46.985712
"1444142"	668.073546	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+HCOOH"	47.012746
"234564"	649.08304	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+3H2O+2H"	56.04448
"1519709"	682.12559	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+IsoProp+H"	61.06479
"416119"	652.036988	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Na+K"	61.952376
"776020"	962.567388	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+Na+K"	61.952376
"1672349"	341.506588	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na+K"	61.952376
"259960"	1306.137368	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+ACN+Na"	64.015768
"1234856"	685.076568	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+ACN+Na"	64.015768
"1718278"	685.100093	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+NH4+HCOOH"	64.039293
"1188005"	230.009484666667	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+3Na"	68.967654
"1651340"	690.055488	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na+HCOOH"	68.994688
"161480"	1319.04064	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2K-H"	76.91904
"598127"	1940.10144	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2K-H"	76.91904
"1087743"	697.97984	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2K-H"	76.91904
"152580"	660.023958	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2K"	77.926316
"590685"	970.554358	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2K"	77.926316
"1073009"	349.493558	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2K"	77.926316
"1104033"	699.994392	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2K+H"	78.933592
"1337257"	700.082007	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+DMSO+H"	79.021207
"1011133"	704.121176	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2ACN+H"	83.060376
"1530351"	705.114808	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+IsoProp+Na+H"	84.054008
"1004454"	352.564226	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+2ACN+2H"	84.067652
"1593490"	706.029428	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+K+HCOOH"	84.968628
"1422432"	736.060938	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+CF3COOH"	115.000138
"1156001"	373.077501	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+3ACN+2H"	125.094202
"1705551"	753.087485	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+NH4+CF3COOH"	132.026685
"1635739"	758.04288	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na+CF3COOH"	136.98208
"1579047"	774.01682	"C04573"	"UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate;UDP-N-acetyl-D-glucosaminuronate;UDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronate"	"C17H25N3O18P2"	"621.0608"	"M+K+CF3COOH"	152.95602
"802851"	926.6318	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M"	0
"979664"	907.61341	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H2O-H"	-19.01839
"72284"	616.747257333333	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-3H"	-3.021828
"512937"	925.624524	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-3H"	-3.021828
"890738"	307.869990666667	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-3H"	-3.021828
"15396"	925.624524	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H"	-2.014552
"454344"	1388.940424	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H"	-2.014552
"832564"	462.308624	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H"	-2.014552
"88491"	1852.256324	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-H"	-1.007276
"526229"	2778.888124	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-H"	-1.007276
"907313"	925.624524	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H"	-1.007276
"62178"	1869.282871	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H+NH4"	16.019271
"501615"	2795.914671	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H+NH4"	16.019271
"878814"	942.651071	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H+NH4"	16.019271
"44888"	1874.238266	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H+Na"	20.974666
"484449"	2800.870066	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H+Na"	20.974666
"863227"	947.606466	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H+Na"	20.974666
"1633607"	947.606466	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na-2H"	20.974666
"109571"	943.612863	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-H+Cl"	33.962126
"549703"	1406.928763	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-H+Cl"	33.962126
"940175"	480.296963	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+Cl"	33.962126
"280068"	1888.233002	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Cl"	34.969402
"670057"	2814.864802	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+Cl"	34.969402
"1275901"	961.601202	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl"	34.969402
"23929"	1890.212206	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H+K"	36.948606
"466774"	2816.844006	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H+K"	36.948606
"844577"	963.580406	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H+K"	36.948606
"1566971"	963.580406	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K-2H"	36.948606
"957041"	971.629994	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+HCOOH"	44.998194
"369789"	1898.261801	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+HCOOH-H"	44.998201
"359141"	1912.277451	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Hac-H"	59.013851
"1504694"	985.645651	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Hac-H"	59.013851
"972236"	993.611951	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+NaCOOH"	66.980151
"123329"	961.601202	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2Cl"	69.938804
"551951"	1424.917102	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2Cl"	69.938804
"1027313"	498.285302	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2Cl"	69.938804
"1244705"	1005.550685	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Br"	78.918885
"1312619"	1007.606672	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl+HCOOH"	80.974872
"1323556"	1029.588629	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl+NaCOOH"	102.956829
"914612"	1039.617386	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+CF3COOH"	112.985586
"1294605"	1075.594064	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl+CF3COOH"	148.962264
"1378241"	891.619124	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H-2H2O"	-35.012676
"1392456"	909.6291	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H-H2O"	-17.0027
"291050"	1854.270876	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H"	1.007276
"681283"	2780.902676	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H"	1.007276
"1353621"	927.639076	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H"	1.007276
"127237"	927.639076	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2H"	2.014552
"568619"	1390.954976	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2H"	2.014552
"1040697"	464.323176	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2H"	2.014552
"213347"	618.761809333333	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+3H"	3.021828
"656193"	927.639076	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+3H"	3.021828
"1177480"	309.884542666667	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+3H"	3.021828
"438443"	1871.297423	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+NH4"	18.033823
"800532"	2797.929223	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+NH4"	18.033823
"1689448"	944.665623	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+NH4"	18.033823
"339911"	936.1523495	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H+NH4"	19.041099
"733429"	1399.4682495	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H+NH4"	19.041099
"1487249"	472.8364495	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+NH4"	19.041099
"404833"	1876.252818	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Na"	22.989218
"760360"	2802.884618	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+Na"	22.989218
"1610645"	949.621018	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na"	22.989218
"319588"	938.630047	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H+Na"	23.996494
"709822"	1401.945947	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H+Na"	23.996494
"1470203"	475.314147	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+Na"	23.996494
"1064915"	317.211856666667	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2H+Na"	25.00377
"1266225"	959.665286	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+CH3OH+H"	33.033486
"383708"	1892.226758	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+K"	38.963158
"745796"	2818.858558	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+K"	38.963158
"1547849"	965.594958	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K"	38.963158
"307213"	946.617017	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H+K"	39.970434
"700729"	1409.932917	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H+K"	39.970434
"1454548"	483.301117	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+K"	39.970434
"246430"	1895.297426	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+ACN+H"	42.033826
"1213670"	968.665626	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+ACN+H"	42.033826
"1199741"	484.836451	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+ACN+2H"	43.041102
"191883"	1898.23476	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2Na-H"	44.97116
"633995"	2824.86656	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2Na-H"	44.97116
"1136770"	971.60296	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2Na-H"	44.97116
"174104"	949.621018	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2Na"	45.978436
"620723"	1412.936918	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2Na"	45.978436
"1129576"	486.305118	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2Na"	45.978436
"1411409"	324.539170666667	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+2Na"	46.985712
"1440969"	973.644546	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+HCOOH"	47.012746
"229571"	954.65404	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+3H2O+2H"	56.04448
"1520912"	987.69659	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+IsoProp+H"	61.06479
"419875"	957.607988	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Na+K"	61.952376
"775400"	1420.923888	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+Na+K"	61.952376
"1673186"	494.292088	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na+K"	61.952376
"258247"	1917.279368	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+ACN+Na"	64.015768
"1234237"	990.647568	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+ACN+Na"	64.015768
"1719115"	990.671093	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+NH4+HCOOH"	64.039293
"1185199"	331.866484666667	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+3Na"	68.967654
"1654002"	995.626488	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na+HCOOH"	68.994688
"160128"	1930.18264	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2K-H"	76.91904
"599329"	2856.81444	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2K-H"	76.91904
"1084811"	1003.55084	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2K-H"	76.91904
"145764"	965.594958	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2K"	77.926316
"590795"	1428.910858	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2K"	77.926316
"1073119"	502.279058	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2K"	77.926316
"1104144"	1005.565392	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2K+H"	78.933592
"1343809"	1005.653007	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+DMSO+H"	79.021207
"1011244"	1009.692176	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2ACN+H"	83.060376
"1530461"	1010.685808	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+IsoProp+Na+H"	84.054008
"1004200"	505.349726	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2ACN+2H"	84.067652
"1600161"	1011.600428	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K+HCOOH"	84.968628
"1422542"	1041.631938	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+CF3COOH"	115.000138
"1157204"	525.863001	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+3ACN+2H"	125.094202
"1706755"	1058.658485	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+NH4+CF3COOH"	132.026685
"1635849"	1063.61388	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na+CF3COOH"	136.98208
"1579157"	1079.58782	"C04574"	"di-transpoly-cis-Undecaprenyl diphosphate;Undecaprenyl diphosphate;Bactoprenyl diphosphate;ditransoctacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K+CF3COOH"	152.95602
"802959"	192.027	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M"	0
"979773"	173.00861	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"72394"	127.010724	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"513047"	191.019724	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"891944"	63.001724	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"15264"	191.019724	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"454945"	287.033224	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"832141"	95.006224	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"85685"	383.046724	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"531807"	575.073724	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"911000"	191.019724	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"61682"	400.073271	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"501238"	592.100271	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"879704"	208.046271	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"45967"	405.028666	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"484436"	597.055666	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"863829"	213.001666	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1633809"	213.001666	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"109526"	209.008063	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"549534"	305.021563	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"941867"	112.994563	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"279932"	419.023402	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"670167"	611.050402	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1275644"	226.996402	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"24039"	421.002606	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"464699"	613.029606	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"844689"	228.975606	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1570364"	228.975606	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"957033"	237.025194	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"372087"	429.052201	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"357064"	443.067851	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1499336"	251.040851	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"963231"	259.007151	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"122344"	226.996402	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"555344"	323.009902	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1024508"	130.982902	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1246999"	270.945885	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1307262"	273.001872	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1322569"	294.983829	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"915819"	305.012586	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1291433"	340.989264	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1379444"	157.014324	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1396944"	175.0243	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"285692"	385.061276	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"678841"	577.088276	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1353732"	193.034276	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H"	1.007276
"128805"	193.034276	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"568364"	289.047776	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1039350"	97.020776	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"210177"	129.025276	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"656303"	193.034276	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1176497"	65.016276	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"437581"	402.087823	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"799671"	594.114823	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1695024"	210.060823	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"344273"	201.5475495	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"735725"	297.5610495	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1489181"	105.5340495	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"405673"	407.043218	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"762657"	599.070218	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1610755"	215.016218	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"322978"	204.025247	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"714305"	300.038747	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1472501"	108.011747	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1065390"	72.34359	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1267428"	225.060486	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"384911"	423.017158	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"746999"	615.044158	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1549051"	230.990158	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+K"	38.963158
"307323"	212.012217	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"700839"	308.025717	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1456845"	115.998717	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"247269"	426.087826	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1213053"	234.060826	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1198029"	117.534051	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"189441"	429.02516	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"634470"	621.05216	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1134694"	236.99816	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"174217"	215.016218	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"613284"	311.029718	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1115713"	119.002718	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1411155"	79.670904	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1439985"	239.039746	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"229681"	220.04924	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1518835"	253.09179	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"417433"	223.003188	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"777332"	319.016688	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1672568"	126.989688	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"261273"	448.069768	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1233984"	256.042768	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1718497"	256.066293	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1185309"	86.998218	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1653748"	261.021688	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"159147"	460.97304	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"598347"	653.00004	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1084637"	268.94604	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"145874"	230.990158	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"590905"	327.003658	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1075416"	134.976658	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1104254"	270.960592	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1342826"	271.048207	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1014634"	275.087376	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1537132"	276.081008	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"1004312"	138.047326	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1601854"	276.995628	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1425931"	307.027138	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1156221"	158.560601	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1707958"	324.053685	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1635229"	329.00908	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1579267"	344.98302	"C04575"	"(4R5S)-456-Trihydroxy-23-dioxohexanoate;23-Diketo-L-gulonate"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"801510"	940.1182	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M"	0
"975386"	921.09981	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-H2O-H"	-19.01839
"69224"	625.738190666667	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M-3H"	-3.021828
"512064"	939.110924	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M-3H"	-3.021828
"889867"	312.365457333333	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-3H"	-3.021828
"15128"	939.110924	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M-2H"	-2.014552
"455174"	1409.170024	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M-2H"	-2.014552
"832574"	469.051824	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-2H"	-2.014552
"85795"	1879.229124	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M-H"	-1.007276
"530824"	2819.347324	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M-H"	-1.007276
"910212"	939.110924	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-H"	-1.007276
"62154"	1896.255671	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M-2H+NH4"	16.019271
"502321"	2836.373871	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M-2H+NH4"	16.019271
"879523"	956.137471	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-2H+NH4"	16.019271
"44984"	1901.211066	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M-2H+Na"	20.974666
"484546"	2841.329266	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M-2H+Na"	20.974666
"863090"	961.092866	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-2H+Na"	20.974666
"1632380"	961.092866	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Na-2H"	20.974666
"109429"	957.099263	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M-H+Cl"	33.962126
"549070"	1427.158363	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M-H+Cl"	33.962126
"938206"	487.040163	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-H+Cl"	33.962126
"273482"	1915.205802	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+Cl"	34.969402
"671369"	2855.324002	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+Cl"	34.969402
"1276846"	975.087602	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Cl"	34.969402
"24149"	1917.185006	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M-2H+K"	36.948606
"468088"	2857.303206	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M-2H+K"	36.948606
"845892"	977.066806	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-2H+K"	36.948606
"1568289"	977.066806	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+K-2H"	36.948606
"956171"	985.116394	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-H+HCOOH"	44.998194
"375843"	1925.234601	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+HCOOH-H"	44.998201
"356081"	1939.250251	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+Hac-H"	59.013851
"1503820"	999.132051	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Hac-H"	59.013851
"966988"	1007.098351	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-H+NaCOOH"	66.980151
"120268"	975.087602	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+2Cl"	69.938804
"554361"	1445.146702	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+2Cl"	69.938804
"1026442"	505.028502	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2Cl"	69.938804
"1243466"	1019.037085	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Br"	78.918885
"1305186"	1021.093072	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Cl+HCOOH"	80.974872
"1320858"	1043.075029	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Cl+NaCOOH"	102.956829
"914836"	1053.103786	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M-H+CF3COOH"	112.985586
"1290085"	1089.080464	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Cl+CF3COOH"	148.962264
"1379554"	905.105524	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H-2H2O"	-35.012676
"1396325"	923.1155	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H-H2O"	-17.0027
"286895"	1881.243676	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+H"	1.007276
"679316"	2821.361876	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+H"	1.007276
"1355665"	941.125476	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H"	1.007276
"127460"	941.125476	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+2H"	2.014552
"566653"	1411.184576	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+2H"	2.014552
"1038368"	471.066376	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2H"	2.014552
"211380"	627.752742666667	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+3H"	3.021828
"655319"	941.125476	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+3H"	3.021828
"1177945"	314.380009333333	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+3H"	3.021828
"438786"	1898.270223	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+NH4"	18.033823
"800998"	2838.388423	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+NH4"	18.033823
"1694770"	958.152023	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+NH4"	18.033823
"344383"	949.6387495	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+H+NH4"	19.041099
"734741"	1419.6978495	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+H+NH4"	19.041099
"1489291"	479.5796495	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H+NH4"	19.041099
"406145"	1903.225618	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+Na"	22.989218
"762767"	2843.343818	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+Na"	22.989218
"1610865"	963.107418	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Na"	22.989218
"317982"	952.116447	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+H+Na"	23.996494
"715508"	1422.175547	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+H+Na"	23.996494
"1470424"	482.057347	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H+Na"	23.996494
"1065136"	321.707323333333	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2H+Na"	25.00377
"1269726"	973.151686	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+CH3OH+H"	33.033486
"386114"	1919.199558	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+K"	38.963158
"749296"	2859.317758	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+K"	38.963158
"1549161"	979.081358	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+K"	38.963158
"307432"	960.103417	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+H+K"	39.970434
"702041"	1430.162517	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+H+K"	39.970434
"1454769"	490.044317	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H+K"	39.970434
"245557"	1922.270226	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+ACN+H"	42.033826
"1213893"	982.152026	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+ACN+H"	42.033826
"1198140"	491.579651	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+ACN+2H"	43.041102
"194292"	1925.20756	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+2Na-H"	44.97116
"631664"	2865.32576	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+2Na-H"	44.97116
"1140272"	985.08936	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2Na-H"	44.97116
"179917"	963.107418	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+2Na"	45.978436
"613882"	1433.166518	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+2Na"	45.978436
"1117758"	493.048318	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2Na"	45.978436
"1411263"	329.034637333333	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H+2Na"	46.985712
"1441920"	987.130946	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H+HCOOH"	47.012746
"230885"	968.14044	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+3H2O+2H"	56.04448
"1517852"	1001.18299	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+IsoProp+H"	61.06479
"414262"	971.094388	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+Na+K"	61.952376
"776349"	1441.153488	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+Na+K"	61.952376
"1671218"	501.035288	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Na+K"	61.952376
"261383"	1944.252168	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+ACN+Na"	64.015768
"1236281"	1004.133968	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+ACN+Na"	64.015768
"1717876"	1004.157493	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+NH4+HCOOH"	64.039293
"1188334"	336.361951333333	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+3Na"	68.967654
"1652765"	1009.112888	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Na+HCOOH"	68.994688
"159988"	1957.15544	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+2K-H"	76.91904
"597232"	2897.27364	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+2K-H"	76.91904
"1084301"	1017.03724	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2K-H"	76.91904
"145984"	979.081358	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"2M+2K"	77.926316
"583360"	1449.140458	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"3M+2K"	77.926316
"1072246"	509.022258	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2K"	77.926316
"1107644"	1019.051792	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2K+H"	78.933592
"1344029"	1019.139407	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+DMSO+H"	79.021207
"1018024"	1023.178576	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2ACN+H"	83.060376
"1537242"	1024.172208	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+IsoProp+Na+H"	84.054008
"1005273"	512.092926	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+2ACN+2H"	84.067652
"1601477"	1025.086828	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+K+HCOOH"	84.968628
"1424948"	1055.118338	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+H+CF3COOH"	115.000138
"1155237"	532.606201	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+3ACN+2H"	125.094202
"1704788"	1072.144885	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+NH4+CF3COOH"	132.026685
"1635339"	1077.10028	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+Na+CF3COOH"	136.98208
"1582657"	1093.07422	"C04576"	"Pentagalloylglucose;12346-Pentakis-O-galloyl-beta-D-glucose;Pentagalloyl-beta-D-glucose"	"C41H32O26"	"940.1182"	"M+K+CF3COOH"	152.95602
"801490"	318.2195	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M"	0
"975011"	299.20111	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"69333"	211.139057333333	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"506707"	317.212224	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"893256"	105.065890666667	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"14020"	317.212224	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"454068"	476.321974	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"830289"	158.102474	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"83717"	635.431724	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"529840"	953.651224	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"909466"	317.212224	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"61533"	652.458271	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"501946"	970.677771	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"879018"	334.238771	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"42907"	657.413666	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"479188"	975.633166	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"863809"	339.194166	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1633989"	339.194166	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"109947"	335.200563	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"549902"	494.310313	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"940503"	176.090813	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"275780"	671.408402	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"670386"	989.627902	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1277319"	353.188902	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"24259"	673.387606	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"468928"	991.607106	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"843817"	355.168106	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1568395"	355.168106	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"956284"	363.217694	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"375836"	681.437201	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"358379"	695.452851	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1507578"	377.233351	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"968191"	385.199651	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"122565"	353.188902	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"554471"	512.298652	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1029832"	194.079152	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1243940"	397.138385	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1305659"	399.194372	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1320478"	421.176329	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"914946"	431.205086	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1289466"	467.181764	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1376384"	283.206824	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1396799"	301.2168	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"289191"	637.446276	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"681248"	955.665776	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1356868"	319.226776	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"129391"	319.226776	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"568952"	478.336526	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1039573"	160.117026	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"210397"	213.153609333333	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"656519"	319.226776	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1177081"	107.080442666667	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"438290"	654.472823	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"801190"	972.692323	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1694153"	336.253323	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"341337"	327.7400495	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"733759"	486.8497995	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1489403"	168.6302995	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"404071"	659.428218	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"762877"	977.647718	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1608789"	341.208718	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"318823"	330.217747	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"713432"	489.327497	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1469442"	171.107997	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1066342"	114.407756666667	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1269842"	351.252986	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"388412"	675.402158	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"749406"	993.621658	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1548178"	357.182658	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"306449"	338.204717	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"701058"	497.314467	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1455973"	179.094967	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"246760"	678.472826	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1220563"	360.253326	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1200073"	180.630301	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"194036"	681.41016	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"636877"	999.62966	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1144757"	363.19066	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"182579"	341.208718	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"614967"	500.318468	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1117261"	182.098968	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1406988"	121.735070666667	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1442395"	365.232246	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"230994"	346.24174	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1517963"	379.28429	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"417653"	349.195688	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"776461"	508.305438	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1669143"	190.085938	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"258213"	700.454768	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1236392"	382.235268	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1719811"	382.258793	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1185165"	129.062384666667	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1652875"	387.214188	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"159736"	713.35804	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"598204"	1031.57754	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1084903"	395.13854	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"146094"	357.182658	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"581885"	516.292408	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1074543"	198.072908	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1102285"	397.153092	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1343046"	397.240707	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1018134"	401.279876	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1530791"	402.273508	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1001614"	201.143576	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1599399"	403.188128	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1425058"	433.219638	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1154254"	221.656851	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1707085"	450.246185	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1636177"	455.20158	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1582767"	471.17552	"C04577"	"15-OxoETE;(5Z8Z11Z13E)-15-Oxoicosa-581113-tetraenoic acid;15-Oxo-5811-cis-13-trans-eicosatetraenoate;15-Oxo-5811-cis-13-trans-icosatetraenoate"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"809852"	384.2049	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M"	0
"976823"	365.18651	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-H2O-H"	-19.01839
"69444"	255.129324	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M-3H"	-3.021828
"513376"	383.197624	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M-3H"	-3.021828
"890087"	127.061024	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-3H"	-3.021828
"14495"	383.197624	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M-2H"	-2.014552
"455238"	575.300074	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M-2H"	-2.014552
"831978"	191.095174	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-2H"	-2.014552
"86015"	767.402524	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M-H"	-1.007276
"533356"	1151.607424	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M-H"	-1.007276
"911322"	383.197624	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-H"	-1.007276
"62842"	784.429071	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M-2H+NH4"	16.019271
"502786"	1168.633971	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M-2H+NH4"	16.019271
"879924"	400.224171	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-2H+NH4"	16.019271
"46792"	789.384466	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M-2H+Na"	20.974666
"486922"	1173.589366	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M-2H+Na"	20.974666
"864205"	405.179566	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-2H+Na"	20.974666
"1634126"	405.179566	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Na-2H"	20.974666
"109939"	401.185963	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M-H+Cl"	33.962126
"549823"	593.288413	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M-H+Cl"	33.962126
"939520"	209.083513	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-H+Cl"	33.962126
"278076"	803.379202	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+Cl"	34.969402
"669405"	1187.584102	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+Cl"	34.969402
"1279618"	419.174302	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Cl"	34.969402
"24369"	805.358406	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M-2H+K"	36.948606
"469401"	1189.563306	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M-2H+K"	36.948606
"846112"	421.153506	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-2H+K"	36.948606
"1568505"	421.153506	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+K-2H"	36.948606
"956391"	429.203094	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-H+HCOOH"	44.998194
"375698"	813.408001	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+HCOOH-H"	44.998201
"358489"	827.423651	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+Hac-H"	59.013851
"1507729"	443.218751	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Hac-H"	59.013851
"969394"	451.185051	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-H+NaCOOH"	66.980151
"123769"	419.174302	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+2Cl"	69.938804
"555675"	611.276752	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+2Cl"	69.938804
"1025566"	227.071852	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2Cl"	69.938804
"1242224"	463.123785	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Br"	78.918885
"1307227"	465.179772	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Cl+HCOOH"	80.974872
"1321443"	487.161729	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Cl+NaCOOH"	102.956829
"915784"	497.190486	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M-H+CF3COOH"	112.985586
"1295045"	533.167164	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Cl+CF3COOH"	148.962264
"1378682"	349.192224	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H-2H2O"	-35.012676
"1396909"	367.2022	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H-H2O"	-17.0027
"288209"	769.417076	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+H"	1.007276
"679537"	1153.621976	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+H"	1.007276
"1354791"	385.212176	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H"	1.007276
"129867"	385.212176	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+2H"	2.014552
"569062"	577.314626	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+2H"	2.014552
"1040044"	193.109726	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2H"	2.014552
"208320"	257.143876	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+3H"	3.021828
"654443"	385.212176	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+3H"	3.021828
"1177555"	129.075576	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+3H"	3.021828
"438035"	786.443623	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+NH4"	18.033823
"800487"	1170.648523	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+NH4"	18.033823
"1694263"	402.238723	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+NH4"	18.033823
"341447"	393.7254495	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+H+NH4"	19.041099
"734963"	585.8278995	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+H+NH4"	19.041099
"1492065"	201.6229995	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H+NH4"	19.041099
"406368"	791.399018	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+Na"	22.989218
"766269"	1175.603918	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+Na"	22.989218
"1613272"	407.194118	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Na"	22.989218
"316747"	396.203147	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+H+Na"	23.996494
"715729"	588.305597	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+H+Na"	23.996494
"1470643"	204.100697	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H+Na"	23.996494
"1067423"	136.40289	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2H+Na"	25.00377
"1270680"	417.238386	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+CH3OH+H"	33.033486
"390714"	807.372958	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+K"	38.963158
"753286"	1191.577858	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+K"	38.963158
"1547195"	423.168058	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+K"	38.963158
"306559"	404.190117	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+H+K"	39.970434
"706273"	596.292567	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+H+K"	39.970434
"1456812"	212.087667	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H+K"	39.970434
"244683"	810.443626	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+ACN+H"	42.033826
"1220673"	426.238726	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+ACN+H"	42.033826
"1202368"	213.623001	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+ACN+2H"	43.041102
"195239"	813.38096	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+2Na-H"	44.97116
"635894"	1197.58586	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+2Na-H"	44.97116
"1140492"	429.17606	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2Na-H"	44.97116
"185605"	407.194118	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+2Na"	45.978436
"614958"	599.296568	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+2Na"	45.978436
"1118828"	215.091668	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2Na"	45.978436
"1407098"	143.730204	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H+2Na"	46.985712
"1444691"	431.217646	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H+HCOOH"	47.012746
"233293"	412.22714	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+3H2O+2H"	56.04448
"1521722"	445.26969	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+IsoProp+H"	61.06479
"417763"	415.181088	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+Na+K"	61.952376
"777664"	607.283538	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+Na+K"	61.952376
"1675087"	223.078638	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Na+K"	61.952376
"258325"	832.425568	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+ACN+Na"	64.015768
"1238324"	448.220668	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+ACN+Na"	64.015768
"1718828"	448.244193	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+NH4+HCOOH"	64.039293
"1187461"	151.057518	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+3Na"	68.967654
"1652985"	453.199588	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Na+HCOOH"	68.994688
"159846"	845.32884	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+2K-H"	76.91904
"598677"	1229.53374	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+2K-H"	76.91904
"1085618"	461.12394	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2K-H"	76.91904
"147298"	423.168058	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"2M+2K"	77.926316
"582600"	615.270508	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"3M+2K"	77.926316
"1080121"	231.065608	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2K"	77.926316
"1104581"	463.138492	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2K+H"	78.933592
"1340966"	463.226107	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+DMSO+H"	79.021207
"1018246"	467.265276	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2ACN+H"	83.060376
"1538194"	468.258908	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+IsoProp+Na+H"	84.054008
"1005250"	234.136276	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+2ACN+2H"	84.067652
"1601695"	469.173528	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+K+HCOOH"	84.968628
"1425170"	499.205038	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+H+CF3COOH"	115.000138
"1155457"	254.649551	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+3ACN+2H"	125.094202
"1701728"	516.231585	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+NH4+CF3COOH"	132.026685
"1637380"	521.18698	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+Na+CF3COOH"	136.98208
"1582877"	537.16092	"C04578"	"16-Methoxy-23-dihydro-3-hydroxytabersonine"	"C22H28N2O4"	"384.2049"	"M+K+CF3COOH"	152.95602
"803401"	579.895	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M"	0
"974290"	560.87661	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H2O-H"	-19.01839
"72833"	385.589390666667	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-3H"	-3.021828
"510206"	578.887724	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-3H"	-3.021828
"888009"	192.291057333333	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-3H"	-3.021828
"14849"	578.887724	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H"	-2.014552
"455138"	868.835224	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H"	-2.014552
"826134"	288.940224	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H"	-2.014552
"89405"	1158.782724	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H"	-1.007276
"532735"	1738.677724	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H"	-1.007276
"911026"	578.887724	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H"	-1.007276
"62831"	1175.809271	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+NH4"	16.019271
"502583"	1755.704271	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+NH4"	16.019271
"879890"	595.914271	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+NH4"	16.019271
"45318"	1180.764666	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+Na"	20.974666
"485972"	1760.659666	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+Na"	20.974666
"863905"	600.869666	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+Na"	20.974666
"1634036"	600.869666	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na-2H"	20.974666
"109603"	596.876063	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H+Cl"	33.962126
"549814"	886.823563	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H+Cl"	33.962126
"940724"	306.928563	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+Cl"	33.962126
"277093"	1194.759402	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Cl"	34.969402
"668421"	1774.654402	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Cl"	34.969402
"1274989"	614.864402	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl"	34.969402
"24479"	1196.738606	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+K"	36.948606
"467324"	1776.633606	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+K"	36.948606
"844035"	616.843606	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+K"	36.948606
"1568615"	616.843606	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K-2H"	36.948606
"956502"	624.893194	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+HCOOH"	44.998194
"374714"	1204.788201	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+HCOOH-H"	44.998201
"358965"	1218.803851	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Hac-H"	59.013851
"1505245"	638.908851	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Hac-H"	59.013851
"969504"	646.875151	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+NaCOOH"	66.980151
"121692"	614.864402	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Cl"	69.938804
"555785"	904.811902	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Cl"	69.938804
"1024948"	324.916902	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Cl"	69.938804
"1241522"	658.813885	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Br"	78.918885
"1306973"	660.869872	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+HCOOH"	80.974872
"1319971"	682.851829	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+NaCOOH"	102.956829
"915166"	692.880586	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+CF3COOH"	112.985586
"1290411"	728.857264	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+CF3COOH"	148.962264
"1377698"	544.882324	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-2H2O"	-35.012676
"1396291"	562.8923	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-H2O"	-17.0027
"286497"	1160.797276	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H"	1.007276
"680011"	1740.692276	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H"	1.007276
"1354901"	580.902276	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H"	1.007276
"130341"	580.902276	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2H"	2.014552
"567714"	870.849776	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2H"	2.014552
"1037969"	290.954776	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H"	2.014552
"208430"	387.603942666667	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H"	3.021828
"655646"	580.902276	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+3H"	3.021828
"1176693"	194.305609333333	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3H"	3.021828
"437781"	1177.823823	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+NH4"	18.033823
"799869"	1757.718823	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+NH4"	18.033823
"1693645"	597.928823	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4"	18.033823
"341557"	589.4155495	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+NH4"	19.041099
"733616"	879.3630495	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+NH4"	19.041099
"1491811"	299.4680495	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+NH4"	19.041099
"405386"	1182.779218	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na"	22.989218
"767108"	1762.674218	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na"	22.989218
"1613382"	602.884218	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na"	22.989218
"319043"	591.893247	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+Na"	23.996494
"715839"	881.840747	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+Na"	23.996494
"1470753"	301.945747	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+Na"	23.996494
"1066925"	201.632923333333	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H+Na"	25.00377
"1270425"	612.928486	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+CH3OH+H"	33.033486
"390459"	1198.753158	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+K"	38.963158
"752182"	1778.648158	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+K"	38.963158
"1549492"	618.858158	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K"	38.963158
"306669"	599.880217	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+K"	39.970434
"703102"	889.827717	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+K"	39.970434
"1456193"	309.932717	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+K"	39.970434
"244793"	1201.823826	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+H"	42.033826
"1218596"	621.928826	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+H"	42.033826
"1201384"	311.468051	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+2H"	43.041102
"194255"	1204.76116	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na-H"	44.97116
"636004"	1784.65616	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na-H"	44.97116
"1139509"	624.86616	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na-H"	44.97116
"183892"	602.884218	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na"	45.978436
"614704"	892.831718	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na"	45.978436
"1117482"	312.936718	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na"	45.978436
"1405020"	208.960237333333	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+2Na"	46.985712
"1443342"	626.907746	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+HCOOH"	47.012746
"234498"	607.91724	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H2O+2H"	56.04448
"1522195"	640.95979	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+H"	61.06479
"417873"	610.871188	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na+K"	61.952376
"778867"	900.818688	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na+K"	61.952376
"1675197"	320.923688	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+K"	61.952376
"258435"	1223.805768	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+Na"	64.015768
"1237340"	643.910768	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+Na"	64.015768
"1716751"	643.934293	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+HCOOH"	64.039293
"1188664"	216.287551333333	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3Na"	68.967654
"1651393"	648.889688	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+HCOOH"	68.994688
"158983"	1236.70904	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K-H"	76.91904
"601704"	1816.60404	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K-H"	76.91904
"1085365"	656.81404	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K-H"	76.91904
"147408"	618.858158	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K"	77.926316
"581611"	908.805658	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K"	77.926316
"1081325"	328.910658	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K"	77.926316
"1105785"	658.828592	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K+H"	78.933592
"1341076"	658.916207	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+DMSO+H"	79.021207
"1017263"	662.955376	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+H"	83.060376
"1536481"	663.949008	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+Na+H"	84.054008
"1004021"	331.981326	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+2H"	84.067652
"1599619"	664.863628	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+HCOOH"	84.968628
"1424187"	694.895138	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+CF3COOH"	115.000138
"1154474"	352.494601	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3ACN+2H"	125.094202
"1701838"	711.921685	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+CF3COOH"	132.026685
"1635304"	716.87708	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+CF3COOH"	136.98208
"1579707"	732.85102	"C04579"	"Inositol 12356-pentakisphosphate;myo-Inositol 12356-pentakisphosphate;1D-myo-Inositol 12356-pentakisphosphate;1L-myo-Inositol 12345-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+CF3COOH"	152.95602
"801537"	291.0954	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M"	0
"976312"	272.07701	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H2O-H"	-19.01839
"72943"	193.056324	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-3H"	-3.021828
"510316"	290.088124	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-3H"	-3.021828
"888119"	96.024524	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-3H"	-3.021828
"13745"	290.088124	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H"	-2.014552
"451724"	435.635824	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H"	-2.014552
"826244"	144.540424	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H"	-2.014552
"92311"	581.183524	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-H"	-1.007276
"531995"	872.278924	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-H"	-1.007276
"910044"	290.088124	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H"	-1.007276
"62601"	598.210071	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H+NH4"	16.019271
"502529"	889.305471	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H+NH4"	16.019271
"879723"	307.114671	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H+NH4"	16.019271
"45305"	603.165466	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H+Na"	20.974666
"484988"	894.260866	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H+Na"	20.974666
"863644"	312.070066	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H+Na"	20.974666
"1632934"	312.070066	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na-2H"	20.974666
"107759"	308.076463	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-H+Cl"	33.962126
"548412"	453.624163	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-H+Cl"	33.962126
"938645"	162.528763	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+Cl"	33.962126
"279389"	617.160202	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Cl"	34.969402
"667438"	908.255602	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+Cl"	34.969402
"1276193"	326.064802	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl"	34.969402
"24589"	619.139406	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M-2H+K"	36.948606
"461966"	910.234806	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M-2H+K"	36.948606
"843050"	328.044006	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-2H+K"	36.948606
"1568725"	328.044006	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K-2H"	36.948606
"956976"	336.093594	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+HCOOH"	44.998194
"374824"	627.189001	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+HCOOH-H"	44.998201
"359440"	641.204651	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Hac-H"	59.013851
"1505353"	350.109251	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Hac-H"	59.013851
"969614"	358.075551	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+NaCOOH"	66.980151
"118522"	326.064802	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2Cl"	69.938804
"555895"	471.612502	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2Cl"	69.938804
"1023600"	180.517102	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2Cl"	69.938804
"1242807"	370.014285	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Br"	78.918885
"1305012"	372.070272	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl+HCOOH"	80.974872
"1320931"	394.052229	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl+NaCOOH"	102.956829
"915276"	404.080986	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M-H+CF3COOH"	112.985586
"1289913"	440.057664	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Cl+CF3COOH"	148.962264
"1379631"	256.082724	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H-2H2O"	-35.012676
"1395673"	274.0927	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H-H2O"	-17.0027
"286607"	583.198076	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H"	1.007276
"681944"	874.293476	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H"	1.007276
"1358291"	292.102676	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H"	1.007276
"131180"	292.102676	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2H"	2.014552
"568188"	437.650376	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2H"	2.014552
"1038080"	146.554976	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2H"	2.014552
"205985"	195.070876	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+3H"	3.021828
"648101"	292.102676	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+3H"	3.021828
"1171694"	98.039076	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+3H"	3.021828
"437156"	600.224623	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+NH4"	18.033823
"799241"	891.320023	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+NH4"	18.033823
"1695938"	309.129223	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+NH4"	18.033823
"342761"	300.6159495	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H+NH4"	19.041099
"735185"	446.1636495	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H+NH4"	19.041099
"1490825"	155.0682495	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+NH4"	19.041099
"406953"	605.180018	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Na"	22.989218
"767583"	896.275418	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+Na"	22.989218
"1611305"	314.084618	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na"	22.989218
"322432"	303.093647	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H+Na"	23.996494
"713762"	448.641347	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H+Na"	23.996494
"1469769"	157.545947	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+Na"	23.996494
"1064483"	105.36639	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2H+Na"	25.00377
"1268712"	324.128886	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+CH3OH+H"	33.033486
"389839"	621.153958	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+K"	38.963158
"751926"	912.249358	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+K"	38.963158
"1549602"	330.058558	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K"	38.963158
"308966"	311.080617	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+H+K"	39.970434
"703576"	456.628317	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+H+K"	39.970434
"1457762"	165.532917	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+K"	39.970434
"249887"	624.224626	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+ACN+H"	42.033826
"1225150"	333.129226	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+ACN+H"	42.033826
"1205869"	167.068251	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+ACN+2H"	43.041102
"199834"	627.16196	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2Na-H"	44.97116
"639394"	918.25736	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2Na-H"	44.97116
"1143993"	336.06656	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2Na-H"	44.97116
"181815"	314.084618	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2Na"	45.978436
"615183"	459.632318	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2Na"	45.978436
"1119418"	168.536918	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2Na"	45.978436
"1406223"	112.693704	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+2Na"	46.985712
"1439808"	338.108146	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+HCOOH"	47.012746
"232421"	319.11764	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+3H2O+2H"	56.04448
"1520484"	352.16019	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+IsoProp+H"	61.06479
"417983"	322.071588	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+Na+K"	61.952376
"777884"	467.619288	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+Na+K"	61.952376
"1673120"	176.523888	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na+K"	61.952376
"261461"	646.206568	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+ACN+Na"	64.015768
"1238911"	355.111168	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+ACN+Na"	64.015768
"1721964"	355.134693	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+NH4+HCOOH"	64.039293
"1189506"	120.021018	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+3Na"	68.967654
"1654297"	360.090088	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na+HCOOH"	68.994688
"164073"	659.10984	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2K-H"	76.91904
"599625"	950.20524	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2K-H"	76.91904
"1087419"	368.01444	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2K-H"	76.91904
"147518"	330.058558	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"2M+2K"	77.926316
"582214"	475.606258	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"3M+2K"	77.926316
"1075966"	184.510858	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2K"	77.926316
"1106989"	370.028992	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2K+H"	78.933592
"1341186"	370.116607	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+DMSO+H"	79.021207
"1011905"	374.155776	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2ACN+H"	83.060376
"1527842"	375.149408	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+IsoProp+Na+H"	84.054008
"997570"	187.581526	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+2ACN+2H"	84.067652
"1597542"	376.064028	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K+HCOOH"	84.968628
"1419924"	406.095538	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+H+CF3COOH"	115.000138
"1150575"	208.094801	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+3ACN+2H"	125.094202
"1698668"	423.122085	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+NH4+CF3COOH"	132.026685
"1634806"	428.07748	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+Na+CF3COOH"	136.98208
"1579817"	444.05142	"C04580"	"2-Deoxy-23-dehydro-N-acetylneuraminic acid"	"C11H17NO8"	"291.0954"	"M+K+CF3COOH"	152.95602
"803620"	346.0689	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M"	0
"977152"	327.05051	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H2O-H"	-19.01839
"74876"	229.705324	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-3H"	-3.021828
"510426"	345.061624	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-3H"	-3.021828
"893940"	114.349024	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-3H"	-3.021828
"11911"	345.061624	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H"	-2.014552
"451471"	518.096074	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H"	-2.014552
"831458"	172.027174	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H"	-2.014552
"91692"	691.130524	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-H"	-1.007276
"532840"	1037.199424	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-H"	-1.007276
"909305"	345.061624	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H"	-1.007276
"62753"	708.157071	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H+NH4"	16.019271
"502643"	1054.225971	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H+NH4"	16.019271
"879884"	362.088171	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H+NH4"	16.019271
"45051"	713.112466	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H+Na"	20.974666
"484734"	1059.181366	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H+Na"	20.974666
"863271"	367.043566	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H+Na"	20.974666
"1632801"	367.043566	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na-2H"	20.974666
"106048"	363.049963	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-H+Cl"	33.962126
"546701"	536.084413	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-H+Cl"	33.962126
"940820"	190.015513	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+Cl"	33.962126
"279499"	727.107202	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Cl"	34.969402
"667548"	1073.176102	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+Cl"	34.969402
"1276669"	381.038302	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl"	34.969402
"24699"	729.086406	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H+K"	36.948606
"469488"	1075.155306	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H+K"	36.948606
"842067"	383.017506	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H+K"	36.948606
"1568835"	383.017506	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K-2H"	36.948606
"956722"	391.067094	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+HCOOH"	44.998194
"375666"	737.136001	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+HCOOH-H"	44.998201
"360279"	751.151651	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Hac-H"	59.013851
"1505463"	405.082751	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Hac-H"	59.013851
"967538"	413.049051	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+NaCOOH"	66.980151
"120819"	381.038302	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2Cl"	69.938804
"559286"	554.072752	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2Cl"	69.938804
"1025897"	208.003852	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2Cl"	69.938804
"1241826"	424.987785	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Br"	78.918885
"1304880"	427.043772	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl+HCOOH"	80.974872
"1321037"	449.025729	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl+NaCOOH"	102.956829
"912833"	459.054486	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+CF3COOH"	112.985586
"1290998"	495.031164	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl+CF3COOH"	148.962264
"1374633"	311.056224	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H-2H2O"	-35.012676
"1389944"	329.0662	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H-H2O"	-17.0027
"287444"	693.145076	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H"	1.007276
"684240"	1039.213976	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H"	1.007276
"1355485"	347.076176	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H"	1.007276
"128374"	347.076176	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2H"	2.014552
"566473"	520.110626	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2H"	2.014552
"1038186"	174.041726	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2H"	2.014552
"205610"	231.719876	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+3H"	3.021828
"648939"	347.076176	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+3H"	3.021828
"1169617"	116.363576	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+3H"	3.021828
"433983"	710.171623	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+NH4"	18.033823
"799351"	1056.240523	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+NH4"	18.033823
"1694588"	364.102723	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+NH4"	18.033823
"337399"	355.5894495	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H+NH4"	19.041099
"736747"	528.6238995	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H+NH4"	19.041099
"1490939"	182.5549995	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+NH4"	19.041099
"405240"	715.127018	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Na"	22.989218
"765505"	1061.195918	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+Na"	22.989218
"1608135"	369.058118	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na"	22.989218
"318170"	358.067147	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H+Na"	23.996494
"711684"	531.101597	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H+Na"	23.996494
"1465506"	185.032697	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+Na"	23.996494
"1066780"	123.69089	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2H+Na"	25.00377
"1271373"	379.102386	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+CH3OH+H"	33.033486
"391042"	731.100958	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+K"	38.963158
"752401"	1077.169858	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+K"	38.963158
"1548619"	385.032058	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K"	38.963158
"309076"	366.054117	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H+K"	39.970434
"701497"	539.088567	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H+K"	39.970434
"1458234"	193.019667	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+K"	39.970434
"249025"	734.171626	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+ACN+H"	42.033826
"1225502"	388.102726	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+ACN+H"	42.033826
"1208779"	194.555001	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+ACN+2H"	43.041102
"201037"	737.10896	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2Na-H"	44.97116
"639504"	1083.17786	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2Na-H"	44.97116
"1141915"	391.04006	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2Na-H"	44.97116
"185205"	369.058118	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2Na"	45.978436
"617114"	542.092568	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2Na"	45.978436
"1120621"	196.023668	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2Na"	45.978436
"1406333"	131.018204	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+2Na"	46.985712
"1441012"	393.081646	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+HCOOH"	47.012746
"234354"	374.09114	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+3H2O+2H"	56.04448
"1521687"	407.13369	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+IsoProp+H"	61.06479
"417729"	377.045088	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Na+K"	61.952376
"778723"	550.079538	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+Na+K"	61.952376
"1672867"	204.010638	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na+K"	61.952376
"261572"	756.153568	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+ACN+Na"	64.015768
"1237198"	410.084668	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+ACN+Na"	64.015768
"1721346"	410.108193	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+NH4+HCOOH"	64.039293
"1187793"	138.345518	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+3Na"	68.967654
"1652219"	415.063588	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na+HCOOH"	68.994688
"161267"	769.05684	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2K-H"	76.91904
"599006"	1115.12574	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2K-H"	76.91904
"1085705"	422.98794	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2K-H"	76.91904
"145441"	385.032058	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2K"	77.926316
"582323"	558.066508	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2K"	77.926316
"1076076"	211.997608	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2K"	77.926316
"1108192"	425.002492	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2K+H"	78.933592
"1339109"	425.090107	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+DMSO+H"	79.021207
"1009828"	429.129276	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2ACN+H"	83.060376
"1527952"	430.122908	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+IsoProp+Na+H"	84.054008
"997680"	215.068276	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2ACN+2H"	84.067652
"1596559"	431.037528	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K+HCOOH"	84.968628
"1422220"	461.069038	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+CF3COOH"	115.000138
"1150321"	235.581551	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+3ACN+2H"	125.094202
"1699142"	478.095585	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+NH4+CF3COOH"	132.026685
"1635524"	483.05098	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na+CF3COOH"	136.98208
"1579927"	499.02492	"C04581"	"Tomentin;3456-Tetrahydroxy-37-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K+CF3COOH"	152.95602
"813574"	260.012	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M"	0
"978358"	240.99361	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H2O-H"	-19.01839
"76443"	172.334057333333	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-3H"	-3.021828
"510535"	259.004724	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-3H"	-3.021828
"891619"	85.6633906666667	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-3H"	-3.021828
"14937"	259.004724	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H"	-2.014552
"455399"	389.010724	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H"	-2.014552
"830838"	128.998724	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H"	-2.014552
"93401"	519.016724	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-H"	-1.007276
"533690"	779.028724	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-H"	-1.007276
"910749"	259.004724	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H"	-1.007276
"61735"	536.043271	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H+NH4"	16.019271
"501903"	796.055271	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H+NH4"	16.019271
"879219"	276.031271	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H+NH4"	16.019271
"46147"	540.998666	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H+Na"	20.974666
"486555"	801.010666	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H+Na"	20.974666
"863506"	280.986666	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H+Na"	20.974666
"1633768"	280.986666	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na-2H"	20.974666
"108709"	276.993063	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-H+Cl"	33.962126
"547175"	406.999063	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-H+Cl"	33.962126
"941781"	146.987063	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+Cl"	33.962126
"281556"	554.993402	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Cl"	34.969402
"667658"	815.005402	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+Cl"	34.969402
"1276051"	294.981402	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl"	34.969402
"24809"	556.972606	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M-2H+K"	36.948606
"469840"	816.984606	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M-2H+K"	36.948606
"847164"	296.960606	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-2H+K"	36.948606
"1569310"	296.960606	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K-2H"	36.948606
"956836"	305.010194	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+HCOOH"	44.998194
"375409"	565.022201	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+HCOOH-H"	44.998201
"360756"	579.037851	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Hac-H"	59.013851
"1507283"	319.025851	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Hac-H"	59.013851
"972386"	326.992151	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+NaCOOH"	66.980151
"122750"	294.981402	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2Cl"	69.938804
"559396"	424.987402	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2Cl"	69.938804
"1028196"	164.975402	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2Cl"	69.938804
"1242060"	338.930885	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Br"	78.918885
"1304750"	340.986872	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl+HCOOH"	80.974872
"1321147"	362.968829	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl+NaCOOH"	102.956829
"912941"	372.997586	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M-H+CF3COOH"	112.985586
"1291472"	408.974264	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Cl+CF3COOH"	148.962264
"1378025"	224.999324	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H-2H2O"	-35.012676
"1395522"	243.0093	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H-H2O"	-17.0027
"296303"	521.031276	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H"	1.007276
"686537"	781.043276	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H"	1.007276
"1365808"	261.019276	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H"	1.007276
"133588"	261.019276	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2H"	2.014552
"569866"	391.025276	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2H"	2.014552
"1038295"	131.013276	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2H"	2.014552
"209854"	174.348609333333	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+3H"	3.021828
"658895"	261.019276	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+3H"	3.021828
"1176292"	87.6779426666667	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+3H"	3.021828
"437375"	538.057823	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+NH4"	18.033823
"800198"	798.069823	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+NH4"	18.033823
"1696488"	278.045823	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+NH4"	18.033823
"344806"	269.5325495	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H+NH4"	19.041099
"737595"	399.5385495	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H+NH4"	19.041099
"1491415"	139.5265495	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+NH4"	19.041099
"406085"	543.013218	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Na"	22.989218
"768535"	803.025218	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+Na"	22.989218
"1616633"	283.001218	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na"	22.989218
"329219"	272.010247	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H+Na"	23.996494
"717265"	402.016247	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H+Na"	23.996494
"1474367"	142.004247	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+Na"	23.996494
"1068355"	95.0052566666667	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2H+Na"	25.00377
"1272584"	293.045486	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+CH3OH+H"	33.033486
"392622"	558.987158	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+K"	38.963158
"753614"	818.999158	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+K"	38.963158
"1555308"	298.975158	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K"	38.963158
"313976"	279.997217	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+H+K"	39.970434
"706231"	410.003217	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+H+K"	39.970434
"1456524"	149.991217	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+K"	39.970434
"245125"	562.057826	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+ACN+H"	42.033826
"1213825"	302.045826	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+ACN+H"	42.033826
"1196370"	151.526551	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+ACN+2H"	43.041102
"197868"	564.99516	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2Na-H"	44.97116
"631232"	825.00716	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2Na-H"	44.97116
"1135465"	304.98316	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2Na-H"	44.97116
"186046"	283.001218	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2Na"	45.978436
"623788"	413.007218	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2Na"	45.978436
"1124013"	152.995218	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2Na"	45.978436
"1411914"	102.332570666667	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+2Na"	46.985712
"1444042"	307.024746	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+HCOOH"	47.012746
"233378"	288.03424	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+3H2O+2H"	56.04448
"1522168"	321.07679	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+IsoProp+H"	61.06479
"422944"	290.988188	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+Na+K"	61.952376
"782482"	420.994188	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+Na+K"	61.952376
"1674801"	160.982188	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na+K"	61.952376
"264237"	584.039768	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+ACN+Na"	64.015768
"1236945"	324.027768	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+ACN+Na"	64.015768
"1724373"	324.051293	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+NH4+HCOOH"	64.039293
"1188998"	109.659884666667	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+3Na"	68.967654
"1657796"	329.006688	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na+HCOOH"	68.994688
"160285"	596.94304	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2K-H"	76.91904
"605316"	856.95504	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2K-H"	76.91904
"1092016"	336.93104	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2K-H"	76.91904
"147374"	298.975158	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"2M+2K"	77.926316
"584017"	428.981158	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"3M+2K"	77.926316
"1071812"	168.969158	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2K"	77.926316
"1115361"	338.945592	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2K+H"	78.933592
"1347971"	339.033207	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+DMSO+H"	79.021207
"1015408"	343.072376	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2ACN+H"	83.060376
"1537786"	344.066008	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+IsoProp+Na+H"	84.054008
"1005582"	172.039826	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+2ACN+2H"	84.067652
"1598859"	344.980628	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K+HCOOH"	84.968628
"1419051"	375.012138	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+H+CF3COOH"	115.000138
"1149339"	192.553101	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+3ACN+2H"	125.094202
"1698889"	392.038685	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+NH4+CF3COOH"	132.026685
"1638917"	396.99408	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+Na+CF3COOH"	136.98208
"1580037"	412.96802	"C04582"	"S-Methyl-5-thio-D-ribulose 1-phosphate"	"C6H13O7PS"	"260.012"	"M+K+CF3COOH"	152.95602
"801775"	270.0964	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M"	0
"975186"	251.07801	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-H2O-H"	-19.01839
"73273"	179.056990666667	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M-3H"	-3.021828
"507365"	269.089124	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M-3H"	-3.021828
"880183"	89.0248573333333	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-3H"	-3.021828
"7023"	269.089124	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M-2H"	-2.014552
"445491"	404.137324	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M-2H"	-2.014552
"828761"	134.040924	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-2H"	-2.014552
"94189"	539.185524	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M-H"	-1.007276
"534231"	809.281924	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M-H"	-1.007276
"910859"	269.089124	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-H"	-1.007276
"62608"	556.212071	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M-2H+NH4"	16.019271
"502501"	826.308471	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M-2H+NH4"	16.019271
"879792"	286.115671	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-2H+NH4"	16.019271
"47129"	561.167466	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M-2H+Na"	20.974666
"485928"	831.263866	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M-2H+Na"	20.974666
"864189"	291.071066	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-2H+Na"	20.974666
"1634067"	291.071066	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Na-2H"	20.974666
"108090"	287.077463	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M-H+Cl"	33.962126
"547649"	422.125663	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M-H+Cl"	33.962126
"940799"	152.029263	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-H+Cl"	33.962126
"280447"	575.162202	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+Cl"	34.969402
"663393"	845.258602	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+Cl"	34.969402
"1275068"	305.065802	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Cl"	34.969402
"17264"	577.141406	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M-2H+K"	36.948606
"469950"	847.237806	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M-2H+K"	36.948606
"848002"	307.045006	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-2H+K"	36.948606
"1568691"	307.045006	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+K-2H"	36.948606
"957672"	315.094594	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-H+HCOOH"	44.998194
"375519"	585.191001	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+HCOOH-H"	44.998201
"360861"	599.206651	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+Hac-H"	59.013851
"1507877"	329.110251	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Hac-H"	59.013851
"972496"	337.076551	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-H+NaCOOH"	66.980151
"122860"	305.065802	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+2Cl"	69.938804
"559506"	440.114002	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+2Cl"	69.938804
"1025026"	170.017602	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2Cl"	69.938804
"1241805"	349.015285	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Br"	78.918885
"1304981"	351.071272	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Cl+HCOOH"	80.974872
"1321622"	373.053229	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Cl+NaCOOH"	102.956829
"914508"	383.081986	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M-H+CF3COOH"	112.985586
"1291217"	419.058664	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Cl+CF3COOH"	148.962264
"1378501"	235.083724	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H-2H2O"	-35.012676
"1395267"	253.0937	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H-H2O"	-17.0027
"296416"	541.200076	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+H"	1.007276
"685554"	811.296476	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+H"	1.007276
"1365797"	271.103676	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H"	1.007276
"134791"	271.103676	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+2H"	2.014552
"569248"	406.151876	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+2H"	2.014552
"1038770"	136.055476	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2H"	2.014552
"206318"	181.071542666667	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+3H"	3.021828
"659007"	271.103676	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+3H"	3.021828
"1175306"	91.0394093333334	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+3H"	3.021828
"437485"	558.226623	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+NH4"	18.033823
"798488"	828.323023	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+NH4"	18.033823
"1695183"	288.130223	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+NH4"	18.033823
"344189"	279.6169495	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+H+NH4"	19.041099
"738313"	414.6651495	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+H+NH4"	19.041099
"1491162"	144.5687495	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H+NH4"	19.041099
"408015"	563.182018	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+Na"	22.989218
"769009"	833.278418	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+Na"	22.989218
"1617471"	293.085618	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Na"	22.989218
"329329"	282.094647	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+H+Na"	23.996494
"717375"	417.142847	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+H+Na"	23.996494
"1474477"	147.046447	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H+Na"	23.996494
"1068348"	98.3667233333333	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2H+Na"	25.00377
"1272645"	303.129886	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+CH3OH+H"	33.033486
"391998"	579.155958	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+K"	38.963158
"753805"	849.252358	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+K"	38.963158
"1555413"	309.059558	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+K"	38.963158
"313881"	290.081617	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+H+K"	39.970434
"705732"	425.129817	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+H+K"	39.970434
"1454446"	155.033417	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H+K"	39.970434
"244140"	582.226626	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+ACN+H"	42.033826
"1214664"	312.130226	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+ACN+H"	42.033826
"1196360"	156.568751	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+ACN+2H"	43.041102
"195791"	585.16396	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+2Na-H"	44.97116
"643250"	855.26036	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+2Na-H"	44.97116
"1141043"	315.06756	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2Na-H"	44.97116
"187007"	293.085618	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+2Na"	45.978436
"622805"	428.133818	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+2Na"	45.978436
"1121207"	158.037418	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2Na"	45.978436
"1412025"	105.694037333333	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H+2Na"	46.985712
"1444151"	317.109146	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H+HCOOH"	47.012746
"233488"	298.11864	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+3H2O+2H"	56.04448
"1521547"	331.16119	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+IsoProp+H"	61.06479
"422327"	301.072588	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+Na+K"	61.952376
"781130"	436.120788	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+Na+K"	61.952376
"1676366"	166.024388	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Na+K"	61.952376
"261063"	604.208568	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+ACN+Na"	64.015768
"1238147"	334.112168	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+ACN+Na"	64.015768
"1726303"	334.135693	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+NH4+HCOOH"	64.039293
"1190928"	113.021351333333	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+3Na"	68.967654
"1656811"	339.091088	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Na+HCOOH"	68.994688
"158450"	617.11184	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+2K-H"	76.91904
"602146"	887.20824	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+2K-H"	76.91904
"1092126"	347.01544	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2K-H"	76.91904
"147848"	309.059558	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"2M+2K"	77.926316
"586314"	444.107758	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"3M+2K"	77.926316
"1071922"	174.011358	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2K"	77.926316
"1115105"	349.029992	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2K+H"	78.933592
"1346988"	349.117607	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+DMSO+H"	79.021207
"1015518"	353.156776	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2ACN+H"	83.060376
"1538017"	354.150408	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+IsoProp+Na+H"	84.054008
"1005439"	177.082026	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+2ACN+2H"	84.067652
"1595688"	355.065028	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+K+HCOOH"	84.968628
"1419161"	385.096538	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+H+CF3COOH"	115.000138
"1150542"	197.595301	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+3ACN+2H"	125.094202
"1697134"	402.123085	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+NH4+CF3COOH"	132.026685
"1639027"	407.07848	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+Na+CF3COOH"	136.98208
"1580147"	423.05242	"C04583"	"6-Hydroxyl-16-dihydropurine ribonucleoside;(6R)-16-Dihydroinosine"	"C10H14N4O5"	"270.0964"	"M+K+CF3COOH"	152.95602
"801667"	151.0269	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M"	0
"976389"	132.00851	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-H2O-H"	-19.01839
"70103"	99.677324	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M-3H"	-3.021828
"505288"	150.019624	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M-3H"	-3.021828
"880901"	49.335024	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-3H"	-3.021828
"9319"	150.019624	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M-2H"	-2.014552
"445600"	225.533074	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M-2H"	-2.014552
"826684"	74.506174	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-2H"	-2.014552
"93366"	301.046524	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M-H"	-1.007276
"533898"	452.073424	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M-H"	-1.007276
"910118"	150.019624	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-H"	-1.007276
"62765"	318.073071	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M-2H+NH4"	16.019271
"502121"	469.099971	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M-2H+NH4"	16.019271
"878344"	167.046171	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-2H+NH4"	16.019271
"46851"	323.028466	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M-2H+Na"	20.974666
"486769"	474.055366	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M-2H+Na"	20.974666
"863973"	172.001566	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-2H+Na"	20.974666
"1634054"	172.001566	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Na-2H"	20.974666
"108687"	168.007963	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M-H+Cl"	33.962126
"549464"	243.521413	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M-H+Cl"	33.962126
"941152"	92.494513	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-H+Cl"	33.962126
"282586"	337.023202	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+Cl"	34.969402
"671156"	488.050102	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+Cl"	34.969402
"1278095"	185.996302	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Cl"	34.969402
"16356"	339.002406	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M-2H+K"	36.948606
"467873"	490.029306	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M-2H+K"	36.948606
"847382"	187.975506	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-2H+K"	36.948606
"1569530"	187.975506	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+K-2H"	36.948606
"957053"	196.025094	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-H+HCOOH"	44.998194
"375629"	347.052001	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+HCOOH-H"	44.998201
"360971"	361.067651	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+Hac-H"	59.013851
"1508028"	210.040751	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Hac-H"	59.013851
"972606"	218.007051	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-H+NaCOOH"	66.980151
"122970"	185.996302	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+2Cl"	69.938804
"559616"	261.509752	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+2Cl"	69.938804
"1028417"	110.482852	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2Cl"	69.938804
"1244713"	229.945785	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Br"	78.918885
"1307160"	232.001772	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Cl+HCOOH"	80.974872
"1322469"	253.983729	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Cl+NaCOOH"	102.956829
"913528"	264.012486	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M-H+CF3COOH"	112.985586
"1290963"	299.989164	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Cl+CF3COOH"	148.962264
"1378611"	116.014224	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H-2H2O"	-35.012676
"1395377"	134.0242	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H-H2O"	-17.0027
"296890"	303.061076	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+H"	1.007276
"684570"	454.087976	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+H"	1.007276
"1365663"	152.034176	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H"	1.007276
"133808"	152.034176	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+2H"	2.014552
"573370"	227.547626	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+2H"	2.014552
"1042169"	76.520726	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2H"	2.014552
"208251"	101.691876	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+3H"	3.021828
"657291"	152.034176	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+3H"	3.021828
"1167761"	51.349576	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+3H"	3.021828
"437595"	320.087623	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+NH4"	18.033823
"800781"	471.114523	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+NH4"	18.033823
"1695658"	169.060723	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+NH4"	18.033823
"344908"	160.5474495	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+H+NH4"	19.041099
"737814"	236.0608995	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+H+NH4"	19.041099
"1491759"	85.0339995	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H+NH4"	19.041099
"408002"	325.043018	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+Na"	22.989218
"768755"	476.069918	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+Na"	22.989218
"1615029"	174.016118	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Na"	22.989218
"328346"	163.025147	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+H+Na"	23.996494
"714205"	238.538597	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+H+Na"	23.996494
"1472399"	87.511697	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H+Na"	23.996494
"1065285"	58.67689	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2H+Na"	25.00377
"1272521"	184.060386	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+CH3OH+H"	33.033486
"392352"	341.016958	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+K"	38.963158
"754105"	492.043858	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+K"	38.963158
"1555463"	189.990058	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+K"	38.963158
"313420"	171.012117	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+H+K"	39.970434
"705478"	246.525567	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+H+K"	39.970434
"1454556"	95.498667	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H+K"	39.970434
"242063"	344.087626	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+ACN+H"	42.033826
"1213680"	193.060726	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+ACN+H"	42.033826
"1195377"	97.034001	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+ACN+2H"	43.041102
"192620"	347.02496	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+2Na-H"	44.97116
"643603"	498.05186	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+2Na-H"	44.97116
"1138966"	195.99806	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2Na-H"	44.97116
"187968"	174.016118	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+2Na"	45.978436
"617447"	249.529568	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+2Na"	45.978436
"1122046"	98.502668	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2Na"	45.978436
"1408491"	66.004204	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H+2Na"	46.985712
"1442804"	198.039646	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H+HCOOH"	47.012746
"233232"	179.04914	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+3H2O+2H"	56.04448
"1521292"	212.09169	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+IsoProp+H"	61.06479
"423896"	182.003088	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+Na+K"	61.952376
"781243"	257.516538	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+Na+K"	61.952376
"1675383"	106.489638	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Na+K"	61.952376
"261903"	366.069568	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+ACN+Na"	64.015768
"1237164"	215.042668	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+ACN+Na"	64.015768
"1725684"	215.066193	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+NH4+HCOOH"	64.039293
"1191039"	73.331518	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+3Na"	68.967654
"1659109"	220.021588	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Na+HCOOH"	68.994688
"160506"	378.97284	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+2K-H"	76.91904
"603349"	529.99974	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+2K-H"	76.91904
"1093329"	227.94594	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2K-H"	76.91904
"147958"	189.990058	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"2M+2K"	77.926316
"587517"	265.503508	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"3M+2K"	77.926316
"1073125"	114.476608	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2K"	77.926316
"1115602"	229.960492	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2K+H"	78.933592
"1347098"	230.048107	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+DMSO+H"	79.021207
"1015628"	234.087276	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2ACN+H"	83.060376
"1539465"	235.080908	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+IsoProp+Na+H"	84.054008
"1005428"	117.547276	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+2ACN+2H"	84.067652
"1595798"	235.995528	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+K+HCOOH"	84.968628
"1417084"	266.027038	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+H+CF3COOH"	115.000138
"1150651"	138.060551	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+3ACN+2H"	125.094202
"1697406"	283.053585	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+NH4+CF3COOH"	132.026685
"1639137"	288.00898	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+Na+CF3COOH"	136.98208
"1583537"	303.98292	"C04584"	"6-Imino-5-oxocyclohexa-13-dienecarboxylate"	"C7H5NO3"	"151.0269"	"M+K+CF3COOH"	152.95602
"802034"	204.0998	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M"	0
"978686"	185.08141	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H2O-H"	-19.01839
"68025"	135.059257333333	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-3H"	-3.021828
"503331"	203.092524	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-3H"	-3.021828
"884293"	67.0259906666667	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-3H"	-3.021828
"9431"	203.092524	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H"	-2.014552
"445710"	305.142424	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H"	-2.014552
"826794"	101.042624	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H"	-2.014552
"93234"	407.192324	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-H"	-1.007276
"533848"	611.292124	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-H"	-1.007276
"911166"	203.092524	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H"	-1.007276
"62546"	424.218871	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H+NH4"	16.019271
"500531"	628.318671	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H+NH4"	16.019271
"878209"	220.119071	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H+NH4"	16.019271
"46229"	429.174266	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H+Na"	20.974666
"486597"	633.274066	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H+Na"	20.974666
"863873"	225.074466	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H+Na"	20.974666
"1633000"	225.074466	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na-2H"	20.974666
"109406"	221.080863	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-H+Cl"	33.962126
"547388"	323.130763	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-H+Cl"	33.962126
"939200"	119.030963	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+Cl"	33.962126
"280549"	443.169002	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Cl"	34.969402
"671266"	647.268802	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+Cl"	34.969402
"1278206"	239.069202	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl"	34.969402
"17478"	445.148206	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H+K"	36.948606
"462513"	649.248006	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H+K"	36.948606
"835941"	241.048406	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H+K"	36.948606
"1563804"	241.048406	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K-2H"	36.948606
"958244"	249.097994	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+HCOOH"	44.998194
"375739"	453.197801	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+HCOOH-H"	44.998201
"359623"	467.213451	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Hac-H"	59.013851
"1508133"	263.113651	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Hac-H"	59.013851
"971623"	271.079951	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+NaCOOH"	66.980151
"123080"	239.069202	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2Cl"	69.938804
"559726"	341.119102	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2Cl"	69.938804
"1028527"	137.019302	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2Cl"	69.938804
"1243730"	283.018685	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Br"	78.918885
"1307270"	285.074672	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl+HCOOH"	80.974872
"1323672"	307.056629	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl+NaCOOH"	102.956829
"915824"	317.085386	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+CF3COOH"	112.985586
"1290345"	353.062064	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl+CF3COOH"	148.962264
"1378721"	169.087124	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H-2H2O"	-35.012676
"1392570"	187.0971	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H-H2O"	-17.0027
"297364"	409.206876	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H"	1.007276
"684680"	613.306676	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H"	1.007276
"1363586"	205.107076	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H"	1.007276
"135011"	205.107076	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2H"	2.014552
"574573"	307.156976	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2H"	2.014552
"1043372"	103.057176	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2H"	2.014552
"206903"	137.073809333333	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+3H"	3.021828
"657038"	205.107076	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+3H"	3.021828
"1167871"	69.0405426666667	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+3H"	3.021828
"432237"	426.233423	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+NH4"	18.033823
"797606"	630.333223	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+NH4"	18.033823
"1694306"	222.133623	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+NH4"	18.033823
"341489"	213.6203495	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H+NH4"	19.041099
"737437"	315.6702495	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H+NH4"	19.041099
"1489189"	111.5704495	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+NH4"	19.041099
"405316"	431.188818	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Na"	22.989218
"767042"	635.288618	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+Na"	22.989218
"1614043"	227.089018	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na"	22.989218
"319705"	216.098047	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H+Na"	23.996494
"707992"	318.147947	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H+Na"	23.996494
"1472509"	114.048147	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+Na"	23.996494
"1065396"	76.3678566666667	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2H+Na"	25.00377
"1267437"	237.133286	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+CH3OH+H"	33.033486
"391490"	447.162758	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+K"	38.963158
"753214"	651.262558	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+K"	38.963158
"1554413"	243.062958	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K"	38.963158
"310977"	224.085017	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H+K"	39.970434
"700846"	326.134917	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H+K"	39.970434
"1451385"	122.035117	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+K"	39.970434
"241080"	450.233426	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+ACN+H"	42.033826
"1215974"	246.133626	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+ACN+H"	42.033826
"1200950"	123.570451	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+ACN+2H"	43.041102
"193823"	453.17076	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2Na-H"	44.97116
"641766"	657.27056	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2Na-H"	44.97116
"1143084"	249.07096	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2Na-H"	44.97116
"186985"	227.089018	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2Na"	45.978436
"617192"	329.138918	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2Na"	45.978436
"1122156"	125.039118	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2Na"	45.978436
"1408964"	83.6951706666667	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+2Na"	46.985712
"1441087"	251.112546	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+HCOOH"	47.012746
"232243"	232.12204	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+3H2O+2H"	56.04448
"1521763"	265.16459	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+IsoProp+H"	61.06479
"418896"	235.075988	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Na+K"	61.952376
"777339"	337.125888	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+Na+K"	61.952376
"1670391"	133.026088	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na+K"	61.952376
"256910"	472.215368	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+ACN+Na"	64.015768
"1235086"	268.115568	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+ACN+Na"	64.015768
"1721420"	268.139093	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+NH4+HCOOH"	64.039293
"1187138"	91.0224846666667	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+3Na"	68.967654
"1660312"	273.094488	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na+HCOOH"	68.994688
"161707"	485.11864	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2K-H"	76.91904
"604550"	689.21844	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2K-H"	76.91904
"1093439"	281.01884	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2K-H"	76.91904
"148068"	243.062958	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2K"	77.926316
"588720"	345.112858	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2K"	77.926316
"1072142"	141.013058	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2K"	77.926316
"1115547"	283.033392	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2K+H"	78.933592
"1349394"	283.121007	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+DMSO+H"	79.021207
"1016831"	287.160176	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2ACN+H"	83.060376
"1539213"	288.153808	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+IsoProp+Na+H"	84.054008
"1003958"	144.083726	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2ACN+2H"	84.067652
"1594814"	289.068428	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K+HCOOH"	84.968628
"1417194"	319.099938	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+CF3COOH"	115.000138
"1154041"	164.597001	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+3ACN+2H"	125.094202
"1701405"	336.126485	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+NH4+CF3COOH"	132.026685
"1642527"	341.08188	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na+CF3COOH"	136.98208
"1583647"	357.05582	"C04586"	"Diethyl (2R3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K+CF3COOH"	152.95602
"801739"	204.0998	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M"	0
"977702"	185.08141	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H2O-H"	-19.01839
"70322"	135.059257333333	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-3H"	-3.021828
"503603"	203.092524	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-3H"	-3.021828
"884403"	67.0259906666667	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-3H"	-3.021828
"9541"	203.092524	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H"	-2.014552
"443634"	305.142424	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H"	-2.014552
"824717"	101.042624	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H"	-2.014552
"92858"	407.192324	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-H"	-1.007276
"532415"	611.292124	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-H"	-1.007276
"910462"	203.092524	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H"	-1.007276
"61922"	424.218871	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H+NH4"	16.019271
"501970"	628.318671	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H+NH4"	16.019271
"878678"	220.119071	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H+NH4"	16.019271
"41721"	429.174266	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H+Na"	20.974666
"482375"	633.274066	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H+Na"	20.974666
"860175"	225.074466	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H+Na"	20.974666
"1629708"	225.074466	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na-2H"	20.974666
"104048"	221.080863	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-H+Cl"	33.962126
"542518"	323.130763	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-H+Cl"	33.962126
"940765"	119.030963	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+Cl"	33.962126
"277862"	443.169002	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Cl"	34.969402
"667001"	647.268802	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+Cl"	34.969402
"1278315"	239.069202	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl"	34.969402
"16980"	445.148206	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M-2H+K"	36.948606
"456425"	649.248006	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M-2H+K"	36.948606
"833865"	241.048406	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-2H+K"	36.948606
"1560633"	241.048406	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K-2H"	36.948606
"947425"	249.097994	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+HCOOH"	44.998194
"375849"	453.197801	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+HCOOH-H"	44.998201
"360705"	467.213451	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Hac-H"	59.013851
"1502731"	263.113651	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Hac-H"	59.013851
"971733"	271.079951	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+NaCOOH"	66.980151
"123190"	239.069202	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2Cl"	69.938804
"553275"	341.119102	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2Cl"	69.938804
"1023533"	137.019302	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2Cl"	69.938804
"1241770"	283.018685	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Br"	78.918885
"1304827"	285.074672	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl+HCOOH"	80.974872
"1321592"	307.056629	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl+NaCOOH"	102.956829
"913382"	317.085386	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M-H+CF3COOH"	112.985586
"1288541"	353.062064	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Cl+CF3COOH"	148.962264
"1378466"	169.087124	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H-2H2O"	-35.012676
"1391586"	187.0971	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H-H2O"	-17.0027
"294555"	409.206876	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H"	1.007276
"685883"	613.306676	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H"	1.007276
"1365153"	205.107076	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H"	1.007276
"134028"	205.107076	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2H"	2.014552
"574683"	307.156976	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2H"	2.014552
"1044575"	103.057176	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2H"	2.014552
"207013"	137.073809333333	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+3H"	3.021828
"657147"	205.107076	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+3H"	3.021828
"1167981"	69.0405426666667	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+3H"	3.021828
"432347"	426.233423	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+NH4"	18.033823
"797716"	630.333223	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+NH4"	18.033823
"1695145"	222.133623	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+NH4"	18.033823
"342691"	213.6203495	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H+NH4"	19.041099
"737993"	315.6702495	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H+NH4"	19.041099
"1490392"	111.5704495	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+NH4"	19.041099
"405063"	431.188818	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Na"	22.989218
"767516"	635.288618	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+Na"	22.989218
"1614153"	227.089018	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na"	22.989218
"319815"	216.098047	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H+Na"	23.996494
"707981"	318.147947	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H+Na"	23.996494
"1472619"	114.048147	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+Na"	23.996494
"1065506"	76.3678566666667	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2H+Na"	25.00377
"1267911"	237.133286	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+CH3OH+H"	33.033486
"391113"	447.162758	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+K"	38.963158
"752959"	651.262558	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+K"	38.963158
"1553552"	243.062958	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K"	38.963158
"308535"	224.085017	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+H+K"	39.970434
"700956"	326.134917	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+H+K"	39.970434
"1452588"	122.035117	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+K"	39.970434
"241190"	450.233426	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+ACN+H"	42.033826
"1217178"	246.133626	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+ACN+H"	42.033826
"1201060"	123.570451	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+ACN+2H"	43.041102
"193934"	453.17076	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2Na-H"	44.97116
"643463"	657.27056	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2Na-H"	44.97116
"1145752"	249.07096	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2Na-H"	44.97116
"188076"	227.089018	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2Na"	45.978436
"622034"	329.138918	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2Na"	45.978436
"1119712"	125.039118	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2Na"	45.978436
"1402871"	83.6951706666667	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+2Na"	46.985712
"1440102"	251.112546	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+HCOOH"	47.012746
"232351"	232.12204	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+3H2O+2H"	56.04448
"1518955"	265.16459	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+IsoProp+H"	61.06479
"416455"	235.075988	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+Na+K"	61.952376
"776356"	337.125888	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+Na+K"	61.952376
"1668314"	133.026088	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na+K"	61.952376
"259207"	472.215368	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+ACN+Na"	64.015768
"1229730"	268.115568	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+ACN+Na"	64.015768
"1716429"	268.139093	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+NH4+HCOOH"	64.039293
"1181782"	91.0224846666667	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+3Na"	68.967654
"1653861"	273.094488	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na+HCOOH"	68.994688
"165099"	485.11864	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2K-H"	76.91904
"600283"	689.21844	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2K-H"	76.91904
"1090269"	281.01884	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2K-H"	76.91904
"144895"	243.062958	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"2M+2K"	77.926316
"588830"	345.112858	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"3M+2K"	77.926316
"1076627"	141.013058	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2K"	77.926316
"1115312"	283.033392	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2K+H"	78.933592
"1350604"	283.121007	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+DMSO+H"	79.021207
"1019127"	287.160176	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2ACN+H"	83.060376
"1537983"	288.153808	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+IsoProp+Na+H"	84.054008
"1003947"	144.083726	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+2ACN+2H"	84.067652
"1596017"	289.068428	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K+HCOOH"	84.968628
"1416210"	319.099938	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+H+CF3COOH"	115.000138
"1150871"	164.597001	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+3ACN+2H"	125.094202
"1701515"	336.126485	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+NH4+CF3COOH"	132.026685
"1642637"	341.08188	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+Na+CF3COOH"	136.98208
"1580477"	357.05582	"C04587"	"Diethyl (2S3R)-2-methyl-3-hydroxysuccinate"	"C9H16O5"	"204.0998"	"M+K+CF3COOH"	152.95602
"807562"	766.9952	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M"	0
"977812"	747.97681	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-H2O-H"	-19.01839
"70432"	510.322857333333	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M-3H"	-3.021828
"505617"	765.987924	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M-3H"	-3.021828
"886699"	254.657790666667	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-3H"	-3.021828
"9651"	765.987924	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M-2H"	-2.014552
"452492"	1149.485524	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M-2H"	-2.014552
"831026"	382.490324	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-2H"	-2.014552
"93696"	1532.983124	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M-H"	-1.007276
"532889"	2299.978324	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M-H"	-1.007276
"911181"	765.987924	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-H"	-1.007276
"62523"	1550.009671	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M-2H+NH4"	16.019271
"502486"	2317.004871	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M-2H+NH4"	16.019271
"877208"	783.014471	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-2H+NH4"	16.019271
"42925"	1554.965066	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M-2H+Na"	20.974666
"484671"	2321.960266	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M-2H+Na"	20.974666
"860286"	787.969866	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-2H+Na"	20.974666
"1629818"	787.969866	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Na-2H"	20.974666
"108167"	783.976263	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M-H+Cl"	33.962126
"543721"	1167.473863	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M-H+Cl"	33.962126
"940509"	400.478663	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-H+Cl"	33.962126
"277972"	1568.959802	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+Cl"	34.969402
"668205"	2335.955002	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+Cl"	34.969402
"1275506"	801.964602	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Cl"	34.969402
"17578"	1570.939006	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M-2H+K"	36.948606
"457138"	2337.934206	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M-2H+K"	36.948606
"833975"	803.943806	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-2H+K"	36.948606
"1560743"	803.943806	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+K-2H"	36.948606
"948628"	811.993394	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-H+HCOOH"	44.998194
"375838"	1578.988601	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+HCOOH-H"	44.998201
"359722"	1593.004251	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+Hac-H"	59.013851
"1507096"	826.009051	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Hac-H"	59.013851
"973058"	833.975351	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-H+NaCOOH"	66.980151
"123300"	801.964602	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+2Cl"	69.938804
"553385"	1185.462202	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+2Cl"	69.938804
"1025466"	418.467002	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2Cl"	69.938804
"1242489"	845.914085	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Br"	78.918885
"1305058"	847.970072	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Cl+HCOOH"	80.974872
"1321704"	869.952029	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Cl+NaCOOH"	102.956829
"912764"	879.980786	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M-H+CF3COOH"	112.985586
"1289589"	915.957464	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Cl+CF3COOH"	148.962264
"1377482"	731.982524	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H-2H2O"	-35.012676
"1393884"	749.9925	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H-H2O"	-17.0027
"297584"	1534.997676	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+H"	1.007276
"684900"	2301.992876	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+H"	1.007276
"1366722"	768.002476	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H"	1.007276
"134139"	768.002476	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+2H"	2.014552
"576980"	1151.500076	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+2H"	2.014552
"1044686"	384.504876	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2H"	2.014552
"209310"	512.337409333333	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+3H"	3.021828
"653247"	768.002476	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+3H"	3.021828
"1171373"	256.672342666667	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+3H"	3.021828
"433552"	1552.024223	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+NH4"	18.033823
"795641"	2319.019423	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+NH4"	18.033823
"1693794"	785.029023	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+NH4"	18.033823
"340978"	776.5157495	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+H+NH4"	19.041099
"737778"	1160.0133495	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+H+NH4"	19.041099
"1490865"	393.0181495	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H+NH4"	19.041099
"406993"	1556.979618	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+Na"	22.989218
"768718"	2323.974818	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+Na"	22.989218
"1614263"	789.984418	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Na"	22.989218
"317739"	778.993447	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+H+Na"	23.996494
"708212"	1162.491047	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+H+Na"	23.996494
"1473094"	395.495847	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H+Na"	23.996494
"1065251"	263.999656666667	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2H+Na"	25.00377
"1268021"	800.028686	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+CH3OH+H"	33.033486
"392440"	1572.953558	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+K"	38.963158
"753677"	2339.948758	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+K"	38.963158
"1554997"	805.958358	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+K"	38.963158
"308645"	786.980417	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+H+K"	39.970434
"699973"	1170.478017	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+H+K"	39.970434
"1453791"	403.482817	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H+K"	39.970434
"242394"	1576.024226	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+ACN+H"	42.033826
"1220567"	809.029026	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+ACN+H"	42.033826
"1201171"	405.018151	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+ACN+2H"	43.041102
"195137"	1578.96156	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+2Na-H"	44.97116
"636884"	2345.95676	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+2Na-H"	44.97116
"1146589"	811.96636	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2Na-H"	44.97116
"188189"	789.984418	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+2Na"	45.978436
"619958"	1173.482018	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+2Na"	45.978436
"1122373"	406.486818	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2Na"	45.978436
"1401890"	271.326970666667	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H+2Na"	46.985712
"1440212"	814.007946	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H+HCOOH"	47.012746
"234162"	795.01744	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+3H2O+2H"	56.04448
"1519065"	828.05999	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+IsoProp+H"	61.06479
"417658"	797.971388	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+Na+K"	61.952376
"778653"	1181.468988	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+Na+K"	61.952376
"1669518"	414.473788	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Na+K"	61.952376
"257128"	1598.006168	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+ACN+Na"	64.015768
"1232026"	831.010968	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+ACN+Na"	64.015768
"1717632"	831.034493	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+NH4+HCOOH"	64.039293
"1181892"	278.654284666667	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+3Na"	68.967654
"1653971"	835.989888	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Na+HCOOH"	68.994688
"165208"	1610.90944	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+2K-H"	76.91904
"598572"	2377.90464	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+2K-H"	76.91904
"1089286"	843.91424	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2K-H"	76.91904
"145005"	805.958358	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"2M+2K"	77.926316
"585661"	1189.455958	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"3M+2K"	77.926316
"1078924"	422.460758	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2K"	77.926316
"1115065"	845.928792	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2K+H"	78.933592
"1351080"	846.016407	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+DMSO+H"	79.021207
"1017051"	850.055576	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2ACN+H"	83.060376
"1538215"	851.049208	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+IsoProp+Na+H"	84.054008
"1003813"	425.531426	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+2ACN+2H"	84.067652
"1600501"	851.963828	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+K+HCOOH"	84.968628
"1420694"	881.995338	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+H+CF3COOH"	115.000138
"1154262"	446.044701	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+3ACN+2H"	125.094202
"1698346"	899.021885	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+NH4+CF3COOH"	132.026685
"1642747"	903.97728	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+Na+CF3COOH"	136.98208
"1574026"	919.95122	"C04589"	"UDP-N-acetyl-D-galactosamine 46-bissulfate"	"C17H27N3O23P2S2"	"766.9952"	"M+K+CF3COOH"	152.95602
"810952"	444.2641	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M"	0
"976830"	425.24571	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-H2O-H"	-19.01839
"68356"	295.168790666667	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M-3H"	-3.021828
"506821"	443.256824	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M-3H"	-3.021828
"886809"	147.080757333333	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-3H"	-3.021828
"9761"	443.256824	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M-2H"	-2.014552
"444947"	665.388874	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M-2H"	-2.014552
"831381"	221.124774	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-2H"	-2.014552
"93078"	887.520924	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M-H"	-1.007276
"533489"	1331.785024	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M-H"	-1.007276
"911135"	443.256824	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-H"	-1.007276
"62510"	904.547471	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M-2H+NH4"	16.019271
"502677"	1348.811571	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M-2H+NH4"	16.019271
"879141"	460.283371	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-2H+NH4"	16.019271
"46881"	909.502866	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M-2H+Na"	20.974666
"485511"	1353.766966	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M-2H+Na"	20.974666
"861488"	465.238766	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-2H+Na"	20.974666
"1631385"	465.238766	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Na-2H"	20.974666
"108277"	461.245163	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M-H+Cl"	33.962126
"544924"	683.377213	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M-H+Cl"	33.962126
"941713"	239.113113	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-H+Cl"	33.962126
"280270"	923.497602	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+Cl"	34.969402
"671596"	1367.761702	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+Cl"	34.969402
"1281815"	479.233502	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Cl"	34.969402
"18536"	925.476806	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M-2H+K"	36.948606
"457610"	1369.740906	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M-2H+K"	36.948606
"833834"	481.212706	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-2H+K"	36.948606
"1556476"	481.212706	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+K-2H"	36.948606
"952018"	489.262294	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-H+HCOOH"	44.998194
"376677"	933.526401	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+HCOOH-H"	44.998201
"359467"	947.542051	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+Hac-H"	59.013851
"1506234"	503.277951	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Hac-H"	59.013851
"970495"	511.244251	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-H+NaCOOH"	66.980151
"124384"	479.233502	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+2Cl"	69.938804
"560056"	701.365552	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+2Cl"	69.938804
"1025576"	257.101452	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2Cl"	69.938804
"1244058"	523.182985	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Br"	78.918885
"1307600"	525.238972	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Cl+HCOOH"	80.974872
"1328376"	547.220929	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Cl+NaCOOH"	102.956829
"914332"	557.249686	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M-H+CF3COOH"	112.985586
"1289942"	593.226364	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Cl+CF3COOH"	148.962264
"1376497"	409.251424	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H-2H2O"	-35.012676
"1391806"	427.2614	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H-H2O"	-17.0027
"296236"	889.535476	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+H"	1.007276
"683916"	1333.799576	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+H"	1.007276
"1359171"	445.271376	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H"	1.007276
"130968"	445.271376	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+2H"	2.014552
"568341"	667.403426	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+2H"	2.014552
"1043701"	223.139326	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2H"	2.014552
"208326"	297.183342666667	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+3H"	3.021828
"653358"	445.271376	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+3H"	3.021828
"1174764"	149.095309333333	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+3H"	3.021828
"435850"	906.562023	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+NH4"	18.033823
"800006"	1350.826123	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+NH4"	18.033823
"1694269"	462.297923	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+NH4"	18.033823
"344370"	453.7846495	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+H+NH4"	19.041099
"735697"	675.9166995	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+H+NH4"	19.041099
"1490976"	231.6525995	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H+NH4"	19.041099
"404188"	911.517418	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+Na"	22.989218
"766276"	1355.781518	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+Na"	22.989218
"1608907"	467.253318	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Na"	22.989218
"318942"	456.262347	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+H+Na"	23.996494
"714642"	678.394397	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+H+Na"	23.996494
"1473204"	234.130297	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H+Na"	23.996494
"1068468"	156.422623333333	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2H+Na"	25.00377
"1270683"	477.297586	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+CH3OH+H"	33.033486
"392770"	927.491358	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+K"	38.963158
"754197"	1371.755458	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+K"	38.963158
"1555501"	483.227258	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+K"	38.963158
"312402"	464.249317	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+H+K"	39.970434
"703363"	686.381367	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+H+K"	39.970434
"1452808"	242.117267	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H+K"	39.970434
"244691"	930.562026	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+ACN+H"	42.033826
"1217401"	486.297926	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+ACN+H"	42.033826
"1202375"	243.652601	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+ACN+2H"	43.041102
"196341"	933.49936	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+2Na-H"	44.97116
"639180"	1377.76346	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+2Na-H"	44.97116
"1146990"	489.23526	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2Na-H"	44.97116
"188167"	467.253318	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+2Na"	45.978436
"622260"	689.385368	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+2Na"	45.978436
"1124672"	245.121268	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2Na"	45.978436
"1406010"	163.749937333333	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H+2Na"	46.985712
"1443604"	491.276846	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H+HCOOH"	47.012746
"232205"	472.28634	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+3H2O+2H"	56.04448
"1522456"	505.32889	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+IsoProp+H"	61.06479
"422146"	475.240288	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+Na+K"	61.952376
"784599"	697.372338	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+Na+K"	61.952376
"1676918"	253.108238	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Na+K"	61.952376
"263802"	952.543968	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+ACN+Na"	64.015768
"1236512"	508.279868	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+ACN+Na"	64.015768
"1721023"	508.303393	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+NH4+HCOOH"	64.039293
"1188564"	171.077251333333	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+3Na"	68.967654
"1660645"	513.258788	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Na+HCOOH"	68.994688
"162037"	965.44724	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+2K-H"	76.91904
"597461"	1409.71134	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+2K-H"	76.91904
"1089396"	521.18314	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2K-H"	76.91904
"145115"	483.227258	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"2M+2K"	77.926316
"586864"	705.359308	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"3M+2K"	77.926316
"1076847"	261.095208	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2K"	77.926316
"1112246"	523.197692	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2K+H"	78.933592
"1348629"	523.285307	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+DMSO+H"	79.021207
"1019593"	527.324476	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2ACN+H"	83.060376
"1536379"	528.318108	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+IsoProp+Na+H"	84.054008
"1002829"	264.165876	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+2ACN+2H"	84.067652
"1599517"	529.232728	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+K+HCOOH"	84.968628
"1418617"	559.264238	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+H+CF3COOH"	115.000138
"1151091"	284.679151	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+3ACN+2H"	125.094202
"1698089"	576.290785	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+NH4+CF3COOH"	132.026685
"1642857"	581.24618	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+Na+CF3COOH"	136.98208
"1580697"	597.22012	"C04590"	"3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate"	"C23H41O6P"	"444.2641"	"M+K+CF3COOH"	152.95602
"807782"	126.0681	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M"	0
"976939"	107.04971	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-H2O-H"	-19.01839
"67373"	83.038124	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M-3H"	-3.021828
"506931"	125.060824	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M-3H"	-3.021828
"885826"	41.015424	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-3H"	-3.021828
"6589"	125.060824	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M-2H"	-2.014552
"446148"	188.094874	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M-2H"	-2.014552
"831612"	62.026774	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-2H"	-2.014552
"93761"	251.128924	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M-H"	-1.007276
"533962"	377.197024	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M-H"	-1.007276
"911122"	125.060824	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-H"	-1.007276
"62501"	268.155471	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M-2H+NH4"	16.019271
"502714"	394.223571	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M-2H+NH4"	16.019271
"879811"	142.087371	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-2H+NH4"	16.019271
"46911"	273.110866	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M-2H+Na"	20.974666
"486878"	399.178966	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M-2H+Na"	20.974666
"862690"	147.042766	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-2H+Na"	20.974666
"1633074"	147.042766	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Na-2H"	20.974666
"109940"	143.049163	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M-H+Cl"	33.962126
"549860"	206.083213	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M-H+Cl"	33.962126
"940730"	80.015113	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-H+Cl"	33.962126
"279287"	287.105602	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+Cl"	34.969402
"671706"	413.173702	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+Cl"	34.969402
"1281925"	161.037502	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Cl"	34.969402
"19017"	289.084806	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M-2H+K"	36.948606
"456877"	415.152906	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M-2H+K"	36.948606
"834559"	163.016706	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-2H+K"	36.948606
"1556099"	163.016706	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+K-2H"	36.948606
"955046"	171.066294	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-H+HCOOH"	44.998194
"376972"	297.134401	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+HCOOH-H"	44.998201
"360838"	311.150051	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+Hac-H"	59.013851
"1507930"	185.081951	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Hac-H"	59.013851
"973530"	193.048251	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-H+NaCOOH"	66.980151
"125513"	161.037502	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+2Cl"	69.938804
"563448"	224.071552	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+2Cl"	69.938804
"1036259"	98.003452	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2Cl"	69.938804
"1254014"	204.986985	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Br"	78.918885
"1315367"	207.042972	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Cl+HCOOH"	80.974872
"1328488"	229.024929	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Cl+NaCOOH"	102.956829
"922466"	239.053686	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M-H+CF3COOH"	112.985586
"1296256"	275.030364	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Cl+CF3COOH"	148.962264
"1382531"	91.055424	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H-2H2O"	-35.012676
"1398192"	109.0654	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H-H2O"	-17.0027
"296711"	253.143476	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+H"	1.007276
"688769"	379.211576	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+H"	1.007276
"1366715"	127.075376	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H"	1.007276
"136913"	127.075376	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+2H"	2.014552
"571731"	190.109426	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+2H"	2.014552
"1048917"	64.041326	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2H"	2.014552
"213904"	85.052676	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+3H"	3.021828
"659304"	127.075376	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+3H"	3.021828
"1176334"	43.029976	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+3H"	3.021828
"439364"	270.170023	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+NH4"	18.033823
"799995"	396.238123	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+NH4"	18.033823
"1696530"	144.101923	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+NH4"	18.033823
"345498"	135.5886495	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+H+NH4"	19.041099
"736903"	198.6226995	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+H+NH4"	19.041099
"1492430"	72.5545995	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H+NH4"	19.041099
"408383"	275.125418	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+Na"	22.989218
"769307"	401.193518	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+Na"	22.989218
"1614484"	149.057318	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Na"	22.989218
"325250"	138.066347	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+H+Na"	23.996494
"714753"	201.100397	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+H+Na"	23.996494
"1472950"	75.032297	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H+Na"	23.996494
"1068310"	50.35729	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2H+Na"	25.00377
"1272382"	159.101586	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+CH3OH+H"	33.033486
"392543"	291.099358	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+K"	38.963158
"753937"	417.167458	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+K"	38.963158
"1555471"	165.031258	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+K"	38.963158
"313975"	146.053317	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+H+K"	39.970434
"705663"	209.087367	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+H+K"	39.970434
"1458387"	83.019267	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H+K"	39.970434
"245896"	294.170026	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+ACN+H"	42.033826
"1217511"	168.101926	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+ACN+H"	42.033826
"1202485"	84.554601	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+ACN+2H"	43.041102
"195358"	297.10736	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+2Na-H"	44.97116
"638197"	423.17546	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+2Na-H"	44.97116
"1147023"	171.03926	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2Na-H"	44.97116
"188035"	149.057318	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+2Na"	45.978436
"618360"	212.091368	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+2Na"	45.978436
"1120773"	86.023268	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2Na"	45.978436
"1405027"	57.684604	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H+2Na"	46.985712
"1442988"	173.080846	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H+HCOOH"	47.012746
"234872"	154.09034	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+3H2O+2H"	56.04448
"1523297"	187.13289	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+IsoProp+H"	61.06479
"423595"	157.044288	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+Na+K"	61.952376
"785617"	220.078338	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+Na+K"	61.952376
"1680877"	94.010238	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Na+K"	61.952376
"265371"	316.151968	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+ACN+Na"	64.015768
"1240635"	190.083868	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+ACN+Na"	64.015768
"1727694"	190.107393	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+NH4+HCOOH"	64.039293
"1192927"	65.011918	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+3Na"	68.967654
"1664643"	195.062788	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Na+HCOOH"	68.994688
"167617"	329.05524	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+2K-H"	76.91904
"600615"	455.12334	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+2K-H"	76.91904
"1089506"	202.98714	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2K-H"	76.91904
"146322"	165.031258	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"2M+2K"	77.926316
"588068"	228.065308	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"3M+2K"	77.926316
"1076957"	101.997208	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2K"	77.926316
"1114180"	205.001692	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2K+H"	78.933592
"1345459"	205.089307	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+DMSO+H"	79.021207
"1020965"	209.128476	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2ACN+H"	83.060376
"1536489"	210.122108	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+IsoProp+Na+H"	84.054008
"1004642"	105.067876	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+2ACN+2H"	84.067652
"1597442"	211.036728	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+K+HCOOH"	84.968628
"1420914"	241.068238	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+H+CF3COOH"	115.000138
"1152295"	125.581151	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+3ACN+2H"	125.094202
"1698929"	258.094785	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+NH4+CF3COOH"	132.026685
"1642967"	263.05018	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+Na+CF3COOH"	136.98208
"1580807"	279.02412	"C04592"	"Toluene-cis-dihydrodiol;(1S2R)-3-Methylcyclohexa-35-diene-12-diol"	"C7H10O2"	"126.0681"	"M+K+CF3COOH"	152.95602
"807892"	206.0427	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M"	0
"977049"	187.02431	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-H2O-H"	-19.01839
"64200"	136.354524	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M-3H"	-3.021828
"503759"	205.035424	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M-3H"	-3.021828
"881560"	67.673624	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-3H"	-3.021828
"4510"	205.035424	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M-2H"	-2.014552
"441884"	308.056774	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M-2H"	-2.014552
"829532"	102.014074	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-2H"	-2.014552
"90622"	411.078124	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M-H"	-1.007276
"530179"	617.120824	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M-H"	-1.007276
"909074"	205.035424	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-H"	-1.007276
"61023"	428.104671	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M-2H+NH4"	16.019271
"502287"	634.147371	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M-2H+NH4"	16.019271
"878506"	222.061971	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-2H+NH4"	16.019271
"46411"	433.060066	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M-2H+Na"	20.974666
"486828"	639.102766	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M-2H+Na"	20.974666
"863857"	227.017366	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-2H+Na"	20.974666
"1632819"	227.017366	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Na-2H"	20.974666
"109886"	223.023763	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M-H+Cl"	33.962126
"548910"	326.045113	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M-H+Cl"	33.962126
"941568"	120.002413	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-H+Cl"	33.962126
"278302"	447.054802	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+Cl"	34.969402
"668536"	653.097502	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+Cl"	34.969402
"1282035"	241.012102	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Cl"	34.969402
"19127"	449.034006	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M-2H+K"	36.948606
"456621"	655.076706	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M-2H+K"	36.948606
"832919"	242.991306	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-2H+K"	36.948606
"1556334"	242.991306	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+K-2H"	36.948606
"955887"	251.040894	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-H+HCOOH"	44.998194
"371548"	457.083601	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+HCOOH-H"	44.998201
"361271"	471.099251	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+Hac-H"	59.013851
"1508365"	265.056551	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Hac-H"	59.013851
"974088"	273.022851	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-H+NaCOOH"	66.980151
"125418"	241.012102	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+2Cl"	69.938804
"565136"	344.033452	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+2Cl"	69.938804
"1035637"	137.990752	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2Cl"	69.938804
"1254124"	284.961585	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Br"	78.918885
"1313290"	287.017572	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Cl+HCOOH"	80.974872
"1327505"	308.999529	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Cl+NaCOOH"	102.956829
"922577"	319.028286	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M-H+CF3COOH"	112.985586
"1295273"	355.004964	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Cl+CF3COOH"	148.962264
"1381462"	171.030024	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H-2H2O"	-35.012676
"1396771"	189.04	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H-H2O"	-17.0027
"296457"	413.092676	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+H"	1.007276
"688879"	619.135376	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+H"	1.007276
"1366324"	207.049976	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H"	1.007276
"138117"	207.049976	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+2H"	2.014552
"571841"	310.071326	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+2H"	2.014552
"1049027"	104.028626	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2H"	2.014552
"214014"	138.369076	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+3H"	3.021828
"654673"	207.049976	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+3H"	3.021828
"1177903"	69.688176	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+3H"	3.021828
"439595"	430.119223	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+NH4"	18.033823
"800348"	636.161923	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+NH4"	18.033823
"1694855"	224.076523	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+NH4"	18.033823
"344594"	215.5632495	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+H+NH4"	19.041099
"737013"	318.5845995	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+H+NH4"	19.041099
"1491203"	112.5418995	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H+NH4"	19.041099
"408059"	435.074618	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+Na"	22.989218
"768567"	641.117318	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+Na"	22.989218
"1613501"	229.031918	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Na"	22.989218
"325724"	218.040947	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+H+Na"	23.996494
"713770"	321.062297	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+H+Na"	23.996494
"1471602"	115.019597	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H+Na"	23.996494
"1068308"	77.01549	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2H+Na"	25.00377
"1272001"	239.076186	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+CH3OH+H"	33.033486
"392494"	451.048558	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+K"	38.963158
"754049"	657.091258	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+K"	38.963158
"1555290"	245.005858	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+K"	38.963158
"313679"	226.027917	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+H+K"	39.970434
"705407"	329.049267	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+H+K"	39.970434
"1457769"	123.006567	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H+K"	39.970434
"246006"	454.119226	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+ACN+H"	42.033826
"1217621"	248.076526	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+ACN+H"	42.033826
"1201503"	124.541901	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+ACN+2H"	43.041102
"194738"	457.05656	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+2Na-H"	44.97116
"639766"	663.09926	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+2Na-H"	44.97116
"1146557"	251.01386	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2Na-H"	44.97116
"187415"	229.031918	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+2Na"	45.978436
"618470"	332.053268	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+2Na"	45.978436
"1120518"	126.010568	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2Na"	45.978436
"1406231"	84.342804	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H+2Na"	46.985712
"1445552"	253.055446	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H+HCOOH"	47.012746
"235537"	234.06494	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+3H2O+2H"	56.04448
"1523407"	267.10749	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+IsoProp+H"	61.06479
"424069"	237.018888	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+Na+K"	61.952376
"785146"	340.040238	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+Na+K"	61.952376
"1680784"	133.997538	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Na+K"	61.952376
"266209"	476.101168	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+ACN+Na"	64.015768
"1241242"	270.058468	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+ACN+Na"	64.015768
"1726711"	270.081993	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+NH4+HCOOH"	64.039293
"1189878"	91.670118	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+3Na"	68.967654
"1661958"	275.037388	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Na+HCOOH"	68.994688
"171007"	489.00444	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+2K-H"	76.91904
"602915"	695.04714	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+2K-H"	76.91904
"1087794"	282.96174	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2K-H"	76.91904
"148619"	245.005858	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"2M+2K"	77.926316
"587085"	348.027208	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"3M+2K"	77.926316
"1080347"	141.984508	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2K"	77.926316
"1114411"	284.976292	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2K+H"	78.933592
"1345569"	285.063907	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+DMSO+H"	79.021207
"1021071"	289.103076	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2ACN+H"	83.060376
"1536599"	290.096708	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+IsoProp+Na+H"	84.054008
"1004752"	145.055176	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+2ACN+2H"	84.067652
"1597552"	291.011328	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+K+HCOOH"	84.968628
"1421024"	321.042838	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+H+CF3COOH"	115.000138
"1152405"	165.568451	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+3ACN+2H"	125.094202
"1698675"	338.069385	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+NH4+CF3COOH"	132.026685
"1643077"	343.02478	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+Na+CF3COOH"	136.98208
"1580917"	358.99872	"C04593"	"(2S3R)-3-Hydroxybutane-123-tricarboxylate;Methylisocitrate;Methylisocitric acid"	"C7H10O7"	"206.0427"	"M+K+CF3COOH"	152.95602
"808002"	294.2195	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M"	0
"978253"	275.20111	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"65403"	195.139057333333	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"503869"	293.212224	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"881305"	97.0658906666666	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"2433"	293.212224	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"440900"	440.321974	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"818701"	146.102474	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"86351"	587.431724	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"528100"	881.651224	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"908818"	293.212224	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"62592"	604.458271	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"500813"	898.677771	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"876545"	310.238771	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"45058"	609.413666	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"481821"	903.633166	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"861084"	315.194166	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1632076"	315.194166	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"108726"	311.200563	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"549671"	458.310313	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"940707"	164.090813	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"278412"	623.408402	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"668646"	917.627902	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1275584"	329.188902	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"16641"	625.387606	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"456157"	919.607106	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"832815"	331.168106	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1556809"	331.168106	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"957455"	339.217694	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"373116"	633.437201	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"360412"	647.452851	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1507419"	353.233351	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"973017"	361.199651	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"124720"	329.188902	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"565124"	476.298652	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1032464"	182.079152	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1252044"	373.138385	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1313400"	375.194372	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1324335"	397.176329	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"923051"	407.205086	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1297205"	443.181764	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1382061"	259.206824	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1396881"	277.2168	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"294379"	589.446276	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"687896"	883.665776	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1365705"	295.226776	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"138589"	295.226776	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"568671"	442.336526	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1049866"	148.117026	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"214124"	197.153609333333	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"655512"	295.226776	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1176553"	99.0804426666667	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"438732"	606.472823	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"800337"	900.692323	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1694599"	312.253323	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"344703"	303.7400495	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"736759"	450.8497995	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1492405"	156.6302995	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"408167"	611.428218	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"768067"	905.647718	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1613611"	317.208718	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"322554"	306.217747	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"716066"	453.327497	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1471348"	159.107997	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1067153"	106.407756666667	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1269191"	327.252986	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"392762"	627.402158	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"753509"	921.621658	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1555440"	333.182658	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"313345"	314.204717	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"705882"	461.314467	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1457879"	167.094967	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"246116"	630.472826	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1218824"	336.253326	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1206352"	168.630301	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"195577"	633.41016	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"640970"	927.62966	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1146423"	339.19066	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"186673"	317.208718	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"620402"	464.318468	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1123907"	170.098968	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1407434"	113.735070666667	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1445542"	341.232246	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"235295"	322.24174	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1523518"	355.28429	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"423572"	325.195688	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"784568"	472.305438	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1680895"	178.085938	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"265226"	652.454768	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1241186"	358.235268	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1726821"	358.258793	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1189988"	121.062384666667	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1664985"	363.214188	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"171847"	665.35804	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"612691"	959.57754	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1094095"	371.13854	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"148729"	333.182658	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"589382"	480.292408	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1071344"	186.072908	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1115007"	373.153092	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1345679"	373.240707	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1021341"	377.279876	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1537802"	378.273508	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"1004011"	189.143576	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1599849"	379.188128	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1418947"	409.219638	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1154702"	209.656851	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1699879"	426.246185	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1643187"	431.20158	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1581027"	447.17552	"C04594"	"(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoic acid;(9Z)-(13S)-1213-Epoxyoctadeca-911-dienoate;13(S)-EOD"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"811392"	315.938	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M"	0
"981643"	296.91961	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-H2O-H"	-19.01839
"64542"	209.618057333333	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M-3H"	-3.021828
"506529"	314.930724	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M-3H"	-3.021828
"882875"	104.305390666667	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-3H"	-3.021828
"3636"	314.930724	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M-2H"	-2.014552
"442102"	472.899724	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M-2H"	-2.014552
"820997"	156.961724	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-2H"	-2.014552
"83179"	630.868724	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M-H"	-1.007276
"529303"	946.806724	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M-H"	-1.007276
"907104"	314.930724	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-H"	-1.007276
"62214"	647.895271	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M-2H+NH4"	16.019271
"501409"	963.833271	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M-2H+NH4"	16.019271
"876655"	331.957271	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-2H+NH4"	16.019271
"45289"	652.850666	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M-2H+Na"	20.974666
"484848"	968.788666	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M-2H+Na"	20.974666
"863259"	336.912666	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-2H+Na"	20.974666
"1631457"	336.912666	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Na-2H"	20.974666
"106891"	332.919063	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M-H+Cl"	33.962126
"549370"	490.888063	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M-H+Cl"	33.962126
"941425"	174.950063	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-H+Cl"	33.962126
"278522"	666.845402	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+Cl"	34.969402
"665476"	982.783402	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+Cl"	34.969402
"1276787"	350.907402	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Cl"	34.969402
"18252"	668.824606	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M-2H+K"	36.948606
"456110"	984.762606	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M-2H+K"	36.948606
"833793"	352.886606	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-2H+K"	36.948606
"1561294"	352.886606	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+K-2H"	36.948606
"955743"	360.936194	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-H+HCOOH"	44.998194
"371767"	676.874201	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+HCOOH-H"	44.998201
"358941"	690.889851	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+Hac-H"	59.013851
"1504856"	374.951851	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Hac-H"	59.013851
"971666"	382.918151	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-H+NaCOOH"	66.980151
"122029"	350.907402	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+2Cl"	69.938804
"560494"	508.876402	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+2Cl"	69.938804
"1026378"	192.938402	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2Cl"	69.938804
"1251061"	394.856885	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Br"	78.918885
"1312417"	396.912872	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Cl+HCOOH"	80.974872
"1325538"	418.894829	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Cl+NaCOOH"	102.956829
"922797"	428.923586	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M-H+CF3COOH"	112.985586
"1296586"	464.900264	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Cl+CF3COOH"	148.962264
"1382049"	280.925324	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H-2H2O"	-35.012676
"1396142"	298.9353	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H-H2O"	-17.0027
"294855"	632.883276	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+H"	1.007276
"684725"	948.821276	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+H"	1.007276
"1364719"	316.945276	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H"	1.007276
"140889"	316.945276	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+2H"	2.014552
"577894"	474.914276	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+2H"	2.014552
"1049611"	158.976276	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2H"	2.014552
"214234"	211.632609333333	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+3H"	3.021828
"657809"	316.945276	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+3H"	3.021828
"1176299"	106.319942666667	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+3H"	3.021828
"436290"	649.909823	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+NH4"	18.033823
"798745"	965.847823	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+NH4"	18.033823
"1695076"	333.971823	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+NH4"	18.033823
"344813"	325.4585495	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+H+NH4"	19.041099
"736869"	483.4275495	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+H+NH4"	19.041099
"1491419"	167.4895495	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H+NH4"	19.041099
"407428"	654.865218	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+Na"	22.989218
"768177"	970.803218	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+Na"	22.989218
"1614088"	338.927218	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Na"	22.989218
"325943"	327.936247	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+H+Na"	23.996494
"715083"	485.905247	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+H+Na"	23.996494
"1473645"	169.967247	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H+Na"	23.996494
"1068118"	113.647256666667	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2H+Na"	25.00377
"1271490"	348.971486	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+CH3OH+H"	33.033486
"391779"	670.839158	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+K"	38.963158
"753705"	986.777158	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+K"	38.963158
"1555313"	354.901158	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+K"	38.963158
"312114"	335.923217	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+H+K"	39.970434
"700524"	493.892217	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+H+K"	39.970434
"1456166"	177.954217	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H+K"	39.970434
"245862"	673.909826	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+ACN+H"	42.033826
"1218934"	357.971826	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+ACN+H"	42.033826
"1209015"	179.489551	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+ACN+2H"	43.041102
"197872"	676.84716	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+2Na-H"	44.97116
"641809"	992.78516	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+2Na-H"	44.97116
"1146290"	360.90916	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2Na-H"	44.97116
"187147"	338.927218	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+2Na"	45.978436
"622698"	496.896218	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+2Na"	45.978436
"1124018"	180.958218	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2Na"	45.978436
"1407544"	120.974570666667	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H+2Na"	46.985712
"1444660"	362.950746	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H+HCOOH"	47.012746
"233380"	343.96024	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+3H2O+2H"	56.04448
"1523511"	377.00279	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+IsoProp+H"	61.06479
"422222"	346.914188	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+Na+K"	61.952376
"782854"	504.883188	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+Na+K"	61.952376
"1679548"	188.945188	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Na+K"	61.952376
"263152"	695.891768	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+ACN+Na"	64.015768
"1241088"	379.953768	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+ACN+Na"	64.015768
"1725110"	379.977293	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+NH4+HCOOH"	64.039293
"1190098"	128.301884666667	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+3Na"	68.967654
"1664123"	384.932688	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Na+HCOOH"	68.994688
"171226"	708.79504	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+2K-H"	76.91904
"612455"	1024.73304	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+2K-H"	76.91904
"1094208"	392.85704	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2K-H"	76.91904
"149932"	354.901158	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"2M+2K"	77.926316
"589493"	512.870158	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"3M+2K"	77.926316
"1072183"	196.932158	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2K"	77.926316
"1114875"	394.871592	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2K+H"	78.933592
"1345789"	394.959207	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+DMSO+H"	79.021207
"1021050"	398.998376	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2ACN+H"	83.060376
"1538521"	399.992008	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+IsoProp+Na+H"	84.054008
"1004120"	200.002826	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+2ACN+2H"	84.067652
"1601052"	400.906628	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+K+HCOOH"	84.968628
"1419057"	430.938138	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+H+CF3COOH"	115.000138
"1152625"	220.516101	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+3ACN+2H"	125.094202
"1702175"	447.964685	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+NH4+CF3COOH"	132.026685
"1640017"	452.92008	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+Na+CF3COOH"	136.98208
"1581137"	468.89402	"C04596"	"11-Dichloro-22-bis(4-chlorophenyl)ethylene;11-Dichloro-22-bis(4-chlorophenyl)ethylene;DDE"	"C14H8Cl4"	"315.938"	"M+K+CF3COOH"	152.95602
"802267"	348.1573	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M"	0
"978472"	329.13891	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"64895"	231.097590666667	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"504817"	347.150024	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"883349"	115.045157333333	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"1924"	347.150024	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"440390"	521.228674	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"819285"	173.071374	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"81098"	695.307324	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"529413"	1043.464624	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"908307"	347.150024	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"62810"	712.333871	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"501761"	1060.491171	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"878831"	364.176571	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"46861"	717.289266	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"486907"	1065.446566	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"863976"	369.131966	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1632660"	369.131966	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"107001"	365.138363	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"549440"	539.217013	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"942020"	191.059713	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"278632"	731.284002	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"664492"	1079.441302	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1276897"	383.126702	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"17632"	733.263206	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"457071"	1081.420506	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"834996"	385.105906	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1558122"	385.105906	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"957675"	393.155494	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"371877"	741.312801	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"359779"	755.328451	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1506423"	407.171151	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"971047"	415.137451	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"124325"	383.126702	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"560604"	557.205352	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1026124"	209.048052	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1247891"	427.076185	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1312527"	429.132172	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1324555"	451.114129	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"922543"	461.142886	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1296696"	497.119564	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1382530"	313.144624	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1396737"	331.1546	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"296787"	697.321876	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"684835"	1045.479176	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1365558"	349.164576	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"137720"	349.164576	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"576912"	523.243226	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1049357"	175.085926	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"212157"	233.112142666667	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"658648"	349.164576	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1176773"	117.059709333333	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"436767"	714.348423	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"798490"	1062.505723	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1693362"	366.191123	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"342735"	357.6778495	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"736978"	531.7564995	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1491894"	183.5991995	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"407902"	719.303818	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"765735"	1067.461118	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1612739"	371.146518	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"323866"	360.155547	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"715193"	534.234197	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1474483"	186.076897	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1067739"	124.387023333333	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1270143"	381.190786	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"392698"	735.277758	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"754140"	1083.435058	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1554318"	387.120458	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"310401"	368.142517	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"700634"	542.221167	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1455547"	194.063867	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"243056"	738.348426	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1220136"	390.191126	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1205113"	195.599201	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"196889"	741.28576	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"641189"	1089.44306	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1146279"	393.12846	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"187744"	371.146518	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"622807"	545.225168	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1122305"	197.067868	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1405468"	131.714337333333	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1444890"	395.170046	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"234218"	376.17954	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1520459"	409.22209	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"423791"	379.133488	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"784786"	553.212138	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1676378"	205.054838	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"262897"	760.330368	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1237064"	412.173068	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1722665"	412.196593	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1189115"	139.041651333333	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1664111"	417.151988	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"170243"	773.23364	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"612524"	1121.39094	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1094318"	425.07634	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"150042"	387.120458	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"589603"	561.199108	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1073022"	213.041808	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1114255"	427.090892	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1345899"	427.178507	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1016616"	431.217676	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1535835"	432.211308	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"1004230"	216.112476	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1601162"	433.125928	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1420260"	463.157438	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1153828"	236.625751	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1701191"	480.183985	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1640127"	485.13938	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1581247"	501.11332	"C04597"	"12-Bis(34-dimethoxyphenyl)propane-13-diol;12-Bis(34-dimethoxyphenyl)-13-propanediol"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"805052"	173.1204	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M"	0
"976398"	154.10201	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-H2O-H"	-19.01839
"63669"	114.406324	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M-3H"	-3.021828
"504200"	172.113124	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M-3H"	-3.021828
"886376"	56.699524	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-3H"	-3.021828
"1670"	172.113124	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M-2H"	-2.014552
"441230"	258.673324	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M-2H"	-2.014552
"819030"	85.552924	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-2H"	-2.014552
"82304"	345.233524	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M-H"	-1.007276
"521865"	518.353924	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M-H"	-1.007276
"901852"	172.113124	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-H"	-1.007276
"52947"	362.260071	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M-2H+NH4"	16.019271
"496884"	535.380471	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M-2H+NH4"	16.019271
"869217"	189.139671	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-2H+NH4"	16.019271
"40399"	367.215466	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M-2H+Na"	20.974666
"483247"	540.335866	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M-2H+Na"	20.974666
"855581"	194.095066	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-2H+Na"	20.974666
"1629488"	194.095066	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Na-2H"	20.974666
"101642"	190.101463	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M-H+Cl"	33.962126
"540108"	276.661663	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M-H+Cl"	33.962126
"937998"	103.541263	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-H+Cl"	33.962126
"278742"	381.210202	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+Cl"	34.969402
"663511"	554.330602	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+Cl"	34.969402
"1273971"	208.089802	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Cl"	34.969402
"19569"	383.189406	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M-2H+K"	36.948606
"458035"	556.309806	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M-2H+K"	36.948606
"834742"	210.069006	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-2H+K"	36.948606
"1563703"	210.069006	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+K-2H"	36.948606
"954870"	218.118594	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-H+HCOOH"	44.998194
"371987"	391.239001	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+HCOOH-H"	44.998201
"353684"	405.254651	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+Hac-H"	59.013851
"1505801"	232.134251	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Hac-H"	59.013851
"971152"	240.100551	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-H+NaCOOH"	66.980151
"122248"	208.089802	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+2Cl"	69.938804
"560715"	294.650002	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+2Cl"	69.938804
"1032799"	121.529602	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2Cl"	69.938804
"1252376"	252.039285	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Br"	78.918885
"1313730"	254.095272	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Cl+HCOOH"	80.974872
"1325759"	276.077229	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Cl+NaCOOH"	102.956829
"923746"	286.105986	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M-H+CF3COOH"	112.985586
"1302895"	322.082664	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Cl+CF3COOH"	148.962264
"1382270"	138.107724	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H-2H2O"	-35.012676
"1396483"	156.1177	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H-H2O"	-17.0027
"293251"	347.248076	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+H"	1.007276
"686402"	520.368476	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+H"	1.007276
"1362751"	174.127676	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H"	1.007276
"137097"	174.127676	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+2H"	2.014552
"577751"	260.687876	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+2H"	2.014552
"1047284"	87.567476	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2H"	2.014552
"216280"	116.420876	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+3H"	3.021828
"659123"	174.127676	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+3H"	3.021828
"1176884"	58.714076	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+3H"	3.021828
"437606"	364.274623	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+NH4"	18.033823
"798601"	537.395023	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+NH4"	18.033823
"1693837"	191.154223	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+NH4"	18.033823
"344912"	182.6409495	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+H+NH4"	19.041099
"736727"	269.2011495	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+H+NH4"	19.041099
"1492658"	96.0807495	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H+NH4"	19.041099
"408296"	369.230018	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+Na"	22.989218
"769452"	542.350418	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+Na"	22.989218
"1613943"	196.109618	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Na"	22.989218
"321790"	185.118647	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+H+Na"	23.996494
"714211"	271.678847	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+H+Na"	23.996494
"1470223"	98.558447	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H+Na"	23.996494
"1067850"	66.04139	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2H+Na"	25.00377
"1272525"	206.153886	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+CH3OH+H"	33.033486
"392643"	385.203958	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+K"	38.963158
"753469"	558.324358	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+K"	38.963158
"1554429"	212.083558	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+K"	38.963158
"312699"	193.105617	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+H+K"	39.970434
"703660"	279.665817	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+H+K"	39.970434
"1455657"	106.545417	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H+K"	39.970434
"242071"	388.274626	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+ACN+H"	42.033826
"1219152"	215.154226	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+ACN+H"	42.033826
"1199755"	108.080751	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+ACN+2H"	43.041102
"199186"	391.21196	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+2Na-H"	44.97116
"642028"	564.33236	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+2Na-H"	44.97116
"1146024"	218.09156	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2Na-H"	44.97116
"178983"	196.109618	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+2Na"	45.978436
"618543"	282.669818	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+2Na"	45.978436
"1118772"	109.549418	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2Na"	45.978436
"1408867"	73.368704	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H+2Na"	46.985712
"1443536"	220.133146	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H+HCOOH"	47.012746
"234689"	201.14264	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+3H2O+2H"	56.04448
"1523564"	234.18519	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+IsoProp+H"	61.06479
"421346"	204.096588	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+Na+K"	61.952376
"784168"	290.656788	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+Na+K"	61.952376
"1679404"	117.536388	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Na+K"	61.952376
"266945"	410.256568	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+ACN+Na"	64.015768
"1237903"	237.136168	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+ACN+Na"	64.015768
"1724238"	237.159693	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+NH4+HCOOH"	64.039293
"1190319"	80.696018	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+3Na"	68.967654
"1664222"	242.115088	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Na+HCOOH"	68.994688
"170352"	423.15984	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+2K-H"	76.91904
"607729"	596.28024	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+2K-H"	76.91904
"1098683"	250.03944	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2K-H"	76.91904
"153432"	212.083558	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"2M+2K"	77.926316
"592994"	298.643758	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"3M+2K"	77.926316
"1080788"	125.523358	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2K"	77.926316
"1114970"	252.053992	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2K+H"	78.933592
"1351210"	252.141607	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+DMSO+H"	79.021207
"1016727"	256.180776	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2ACN+H"	83.060376
"1535946"	257.174408	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+IsoProp+Na+H"	84.054008
"1004582"	128.594026	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+2ACN+2H"	84.067652
"1593616"	258.089028	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+K+HCOOH"	84.968628
"1420370"	288.120538	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+H+CF3COOH"	115.000138
"1153938"	149.107301	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+3ACN+2H"	125.094202
"1698753"	305.147085	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+NH4+CF3COOH"	132.026685
"1640239"	310.10248	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+Na+CF3COOH"	136.98208
"1581358"	326.07642	"C04599"	"1-Methyl-4-phenyl-1236-tetrahydropyridine;MPTP"	"C12H15N"	"173.1204"	"M+K+CF3COOH"	152.95602
"802975"	197.0324	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M"	0
"974805"	178.01401	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-H2O-H"	-19.01839
"64750"	130.347657333333	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M-3H"	-3.021828
"503580"	196.025124	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M-3H"	-3.021828
"881382"	64.6701906666667	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-3H"	-3.021828
"1413"	196.025124	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M-2H"	-2.014552
"440731"	294.541324	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M-2H"	-2.014552
"818411"	97.508924	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-2H"	-2.014552
"80591"	393.057524	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M-H"	-1.007276
"523067"	590.089924	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M-H"	-1.007276
"903054"	196.025124	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-H"	-1.007276
"51962"	410.084071	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M-2H+NH4"	16.019271
"494807"	607.116471	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M-2H+NH4"	16.019271
"868597"	213.051671	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-2H+NH4"	16.019271
"39415"	415.039466	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M-2H+Na"	20.974666
"478614"	612.071866	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M-2H+Na"	20.974666
"858603"	218.007066	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-2H+Na"	20.974666
"1625219"	218.007066	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Na-2H"	20.974666
"99562"	214.013463	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M-H+Cl"	33.962126
"535600"	312.529663	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M-H+Cl"	33.962126
"933735"	115.497263	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-H+Cl"	33.962126
"275572"	429.034202	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+Cl"	34.969402
"661434"	626.066602	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+Cl"	34.969402
"1274203"	232.001802	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Cl"	34.969402
"16397"	431.013406	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M-2H+K"	36.948606
"457048"	628.045806	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M-2H+K"	36.948606
"835946"	233.981006	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-2H+K"	36.948606
"1564906"	233.981006	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+K-2H"	36.948606
"956802"	242.030594	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-H+HCOOH"	44.998194
"372097"	439.063001	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+HCOOH-H"	44.998201
"353794"	453.078651	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+Hac-H"	59.013851
"1507371"	256.046251	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Hac-H"	59.013851
"973449"	264.012551	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-H+NaCOOH"	66.980151
"123451"	232.001802	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+2Cl"	69.938804
"557545"	330.518002	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+2Cl"	69.938804
"1032908"	133.485602	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2Cl"	69.938804
"1253579"	275.951285	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Br"	78.918885
"1312746"	278.007272	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Cl+HCOOH"	80.974872
"1325868"	299.989229	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Cl+NaCOOH"	102.956829
"918020"	310.017986	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M-H+CF3COOH"	112.985586
"1302762"	345.994664	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Cl+CF3COOH"	148.962264
"1382258"	162.019724	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H-2H2O"	-35.012676
"1395500"	180.0297	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H-H2O"	-17.0027
"293725"	395.072076	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+H"	1.007276
"686148"	592.104476	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+H"	1.007276
"1363590"	198.039676	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H"	1.007276
"138302"	198.039676	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+2H"	2.014552
"577133"	296.555876	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+2H"	2.014552
"1044478"	99.523476	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2H"	2.014552
"214933"	132.362209333333	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+3H"	3.021828
"658873"	198.039676	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+3H"	3.021828
"1175902"	66.6847426666667	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+3H"	3.021828
"437353"	412.098623	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+NH4"	18.033823
"800170"	609.131023	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+NH4"	18.033823
"1693947"	215.066223	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+NH4"	18.033823
"343323"	206.5529495	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+H+NH4"	19.041099
"735379"	305.0691495	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+H+NH4"	19.041099
"1489931"	108.0367495	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H+NH4"	19.041099
"406054"	417.054018	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+Na"	22.989218
"764861"	614.086418	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+Na"	22.989218
"1611864"	220.021618	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Na"	22.989218
"321896"	209.030647	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+H+Na"	23.996494
"715414"	307.546847	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+H+Na"	23.996494
"1469240"	110.514447	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H+Na"	23.996494
"1067718"	74.0120566666667	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2H+Na"	25.00377
"1272700"	230.065886	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+CH3OH+H"	33.033486
"392769"	433.027958	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+K"	38.963158
"753337"	630.060358	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+K"	38.963158
"1554662"	235.995558	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+K"	38.963158
"312445"	217.017617	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+H+K"	39.970434
"703406"	315.533817	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+H+K"	39.970434
"1455403"	118.501417	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H+K"	39.970434
"244367"	436.098626	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+ACN+H"	42.033826
"1222178"	239.066226	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+ACN+H"	42.033826
"1202053"	120.036751	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+ACN+2H"	43.041102
"201485"	439.03596	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+2Na-H"	44.97116
"642260"	636.06836	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+2Na-H"	44.97116
"1145527"	242.00356	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2Na-H"	44.97116
"179093"	220.021618	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+2Na"	45.978436
"618651"	318.537818	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+2Na"	45.978436
"1121065"	121.505418	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2Na"	45.978436
"1411164"	81.3393706666667	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H+2Na"	46.985712
"1443647"	244.045146	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H+HCOOH"	47.012746
"233707"	225.05464	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+3H2O+2H"	56.04448
"1520676"	258.09719	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+IsoProp+H"	61.06479
"421456"	228.008588	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+Na+K"	61.952376
"782089"	326.524788	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+Na+K"	61.952376
"1677690"	129.492388	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Na+K"	61.952376
"264578"	458.080568	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+ACN+Na"	64.015768
"1235094"	261.048168	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+ACN+Na"	64.015768
"1720700"	261.071693	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+NH4+HCOOH"	64.039293
"1192981"	88.6666846666667	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+3Na"	68.967654
"1664331"	266.027088	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Na+HCOOH"	68.994688
"171922"	470.98384	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+2K-H"	76.91904
"610026"	668.01624	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+2K-H"	76.91904
"1098793"	273.95144	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2K-H"	76.91904
"152449"	235.995558	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"2M+2K"	77.926316
"593104"	334.511758	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"3M+2K"	77.926316
"1071057"	137.479358	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2K"	77.926316
"1114838"	275.965992	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2K+H"	78.933592
"1350495"	276.053607	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+DMSO+H"	79.021207
"1016837"	280.092776	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2ACN+H"	83.060376
"1536056"	281.086408	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+IsoProp+Na+H"	84.054008
"1002505"	140.550026	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+2ACN+2H"	84.067652
"1591538"	282.001028	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+K+HCOOH"	84.968628
"1421573"	312.032538	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+H+CF3COOH"	115.000138
"1154048"	161.063301	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+3ACN+2H"	125.094202
"1698499"	329.059085	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+NH4+CF3COOH"	132.026685
"1640349"	334.01448	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+Na+CF3COOH"	136.98208
"1581468"	349.98842	"C04604"	"3-Hydroxy-2-methylpyridine-45-dicarboxylate"	"C8H7NO5"	"197.0324"	"M+K+CF3COOH"	152.95602
"802032"	334.0334	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M"	0
"974913"	315.01501	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-H2O-H"	-19.01839
"64860"	221.681657333333	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M-3H"	-3.021828
"504053"	333.026124	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M-3H"	-3.021828
"881856"	110.337190666667	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-3H"	-3.021828
"1159"	333.026124	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M-2H"	-2.014552
"440720"	500.042824	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M-2H"	-2.014552
"818278"	166.009424	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-2H"	-2.014552
"82883"	667.059524	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M-H"	-1.007276
"521352"	1001.092924	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M-H"	-1.007276
"899884"	333.026124	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-H"	-1.007276
"52797"	684.086071	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M-2H+NH4"	16.019271
"497103"	1018.119471	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M-2H+NH4"	16.019271
"869437"	350.052671	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-2H+NH4"	16.019271
"37336"	689.041466	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M-2H+Na"	20.974666
"475809"	1023.074866	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M-2H+Na"	20.974666
"854702"	355.008066	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-2H+Na"	20.974666
"1620956"	355.008066	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Na-2H"	20.974666
"94770"	351.014463	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M-H+Cl"	33.962126
"537049"	518.031163	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M-H+Cl"	33.962126
"934939"	183.997763	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-H+Cl"	33.962126
"275682"	703.036202	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+Cl"	34.969402
"661421"	1037.069602	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+Cl"	34.969402
"1273949"	369.002802	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Cl"	34.969402
"16628"	705.015406	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M-2H+K"	36.948606
"457159"	1039.048806	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M-2H+K"	36.948606
"834962"	370.982006	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-2H+K"	36.948606
"1565016"	370.982006	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+K-2H"	36.948606
"953997"	379.031594	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-H+HCOOH"	44.998194
"372207"	713.065001	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+HCOOH-H"	44.998201
"353904"	727.080651	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+Hac-H"	59.013851
"1505294"	393.047251	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Hac-H"	59.013851
"971373"	401.013551	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-H+NaCOOH"	66.980151
"122468"	369.002802	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+2Cl"	69.938804
"560935"	536.019502	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+2Cl"	69.938804
"1032654"	201.986102	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2Cl"	69.938804
"1252596"	412.952285	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Br"	78.918885
"1310670"	415.008272	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Cl+HCOOH"	80.974872
"1330352"	436.990229	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Cl+NaCOOH"	102.956829
"919224"	447.018986	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M-H+CF3COOH"	112.985586
"1303231"	482.995664	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Cl+CF3COOH"	148.962264
"1378475"	299.020724	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H-2H2O"	-35.012676
"1393783"	317.0307	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H-H2O"	-17.0027
"294199"	669.074076	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+H"	1.007276
"686622"	1003.107476	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+H"	1.007276
"1361875"	335.040676	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H"	1.007276
"134035"	335.040676	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+2H"	2.014552
"575418"	502.057376	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+2H"	2.014552
"1044588"	168.023976	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2H"	2.014552
"213949"	223.696209333333	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+3H"	3.021828
"657522"	335.040676	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+3H"	3.021828
"1176012"	112.351742666667	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+3H"	3.021828
"434180"	686.100623	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+NH4"	18.033823
"796633"	1020.134023	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+NH4"	18.033823
"1694057"	352.067223	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+NH4"	18.033823
"343918"	343.5539495	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+H+NH4"	19.041099
"734760"	510.5706495	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+H+NH4"	19.041099
"1489673"	176.5372495	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H+NH4"	19.041099
"406164"	691.056018	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+Na"	22.989218
"763877"	1025.089418	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+Na"	22.989218
"1613065"	357.022618	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Na"	22.989218
"323099"	346.031647	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+H+Na"	23.996494
"716617"	513.048347	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+H+Na"	23.996494
"1467163"	179.014947	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H+Na"	23.996494
"1066614"	119.679056666667	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2H+Na"	25.00377
"1270841"	367.066886	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+CH3OH+H"	33.033486
"388324"	707.029958	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+K"	38.963158
"753083"	1041.063358	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+K"	38.963158
"1554408"	372.996558	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+K"	38.963158
"312677"	354.018617	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+H+K"	39.970434
"703516"	521.035317	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+H+K"	39.970434
"1455877"	187.001917	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H+K"	39.970434
"246665"	710.100626	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+ACN+H"	42.033826
"1222653"	376.067226	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+ACN+H"	42.033826
"1202163"	188.537251	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+ACN+2H"	43.041102
"197220"	713.03796	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+2Na-H"	44.97116
"642248"	1047.07136	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+2Na-H"	44.97116
"1146003"	379.00456	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2Na-H"	44.97116
"181388"	357.022618	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+2Na"	45.978436
"619854"	524.039318	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+2Na"	45.978436
"1118989"	190.005918	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2Na"	45.978436
"1409816"	127.006370666667	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H+2Na"	46.985712
"1440110"	381.046146	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H+HCOOH"	47.012746
"231993"	362.05564	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+3H2O+2H"	56.04448
"1521880"	395.09819	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+IsoProp+H"	61.06479
"419744"	365.009588	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+Na+K"	61.952376
"784023"	532.026288	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+Na+K"	61.952376
"1677800"	197.992888	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Na+K"	61.952376
"266391"	732.082568	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+ACN+Na"	64.015768
"1237391"	398.049168	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+ACN+Na"	64.015768
"1722997"	398.072693	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+NH4+HCOOH"	64.039293
"1192971"	134.333684666667	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+3Na"	68.967654
"1663714"	403.028088	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Na+HCOOH"	68.994688
"170572"	744.98584	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+2K-H"	76.91904
"605763"	1079.01924	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+2K-H"	76.91904
"1098903"	410.95244	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2K-H"	76.91904
"152559"	372.996558	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"2M+2K"	77.926316
"593214"	540.013258	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"3M+2K"	77.926316
"1071167"	205.979858	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2K"	77.926316
"1114705"	412.966992	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2K+H"	78.933592
"1348419"	413.054607	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+DMSO+H"	79.021207
"1016947"	417.093776	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2ACN+H"	83.060376
"1526688"	418.087408	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+IsoProp+Na+H"	84.054008
"1002614"	209.050526	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+2ACN+2H"	84.067652
"1588367"	419.002028	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+K+HCOOH"	84.968628
"1419497"	449.033538	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+H+CF3COOH"	115.000138
"1153064"	229.563801	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+3ACN+2H"	125.094202
"1698245"	466.060085	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+NH4+CF3COOH"	132.026685
"1640459"	471.01548	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+Na+CF3COOH"	136.98208
"1581578"	486.98942	"C04606"	"5-(34-Diacetoxybut-1-ynyl)-22-bithiophene"	"C16H14O4S2"	"334.0334"	"M+K+CF3COOH"	152.95602
"805382"	432.1056	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M"	0
"975633"	413.08721	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-H2O-H"	-19.01839
"63510"	287.063124	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M-3H"	-3.021828
"503434"	431.098324	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M-3H"	-3.021828
"882694"	143.027924	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-3H"	-3.021828
"1997"	431.098324	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M-2H"	-2.014552
"441922"	647.151124	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M-2H"	-2.014552
"819724"	215.045524	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-2H"	-2.014552
"82993"	863.203924	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M-H"	-1.007276
"521463"	1295.309524	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M-H"	-1.007276
"899994"	431.098324	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-H"	-1.007276
"53636"	880.230471	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M-2H+NH4"	16.019271
"498306"	1312.336071	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M-2H+NH4"	16.019271
"872827"	448.124871	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-2H+NH4"	16.019271
"38538"	885.185866	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M-2H+Na"	20.974666
"475919"	1317.291466	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M-2H+Na"	20.974666
"854812"	453.080266	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-2H+Na"	20.974666
"1622159"	453.080266	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Na-2H"	20.974666
"95164"	449.086663	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M-H+Cl"	33.962126
"536065"	665.139463	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M-H+Cl"	33.962126
"929582"	233.033863	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-H+Cl"	33.962126
"275792"	899.180602	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+Cl"	34.969402
"663111"	1331.286202	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+Cl"	34.969402
"1273694"	467.075002	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Cl"	34.969402
"17466"	901.159806	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M-2H+K"	36.948606
"456540"	1333.265406	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M-2H+K"	36.948606
"833371"	469.054206	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-2H+K"	36.948606
"1565126"	469.054206	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+K-2H"	36.948606
"954836"	477.103794	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-H+HCOOH"	44.998194
"372317"	909.209401	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+HCOOH-H"	44.998201
"354014"	923.225051	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+Hac-H"	59.013851
"1505403"	491.119451	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Hac-H"	59.013851
"971483"	499.085751	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-H+NaCOOH"	66.980151
"122578"	467.075002	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+2Cl"	69.938804
"561045"	683.127802	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+2Cl"	69.938804
"1033128"	251.022202	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2Cl"	69.938804
"1253799"	511.024485	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Br"	78.918885
"1310780"	513.080472	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Cl+HCOOH"	80.974872
"1330462"	535.062429	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Cl+NaCOOH"	102.956829
"919334"	545.091186	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M-H+CF3COOH"	112.985586
"1301152"	581.067864	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Cl+CF3COOH"	148.962264
"1378584"	397.092924	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H-2H2O"	-35.012676
"1389518"	415.1029	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H-H2O"	-17.0027
"287018"	865.218476	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+H"	1.007276
"687093"	1297.324076	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+H"	1.007276
"1360162"	433.112876	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H"	1.007276
"131957"	433.112876	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+2H"	2.014552
"569330"	649.165676	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+2H"	2.014552
"1044698"	217.060076	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2H"	2.014552
"206280"	289.077676	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+3H"	3.021828
"653252"	433.112876	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+3H"	3.021828
"1169191"	145.042476	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+3H"	3.021828
"436839"	882.245023	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+NH4"	18.033823
"797836"	1314.350623	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+NH4"	18.033823
"1694896"	450.139423	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+NH4"	18.033823
"342444"	441.6261495	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+H+NH4"	19.041099
"735961"	657.6789495	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+H+NH4"	19.041099
"1490875"	225.5733495	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H+NH4"	19.041099
"406274"	887.200418	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+Na"	22.989218
"762894"	1319.306018	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+Na"	22.989218
"1613175"	455.094818	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Na"	22.989218
"321023"	444.103847	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+H+Na"	23.996494
"714540"	660.156647	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+H+Na"	23.996494
"1468730"	228.051047	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H+Na"	23.996494
"1064899"	152.36979	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2H+Na"	25.00377
"1270588"	465.139086	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+CH3OH+H"	33.033486
"390256"	903.174358	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+K"	38.963158
"752706"	1335.279958	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+K"	38.963158
"1554519"	471.068758	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+K"	38.963158
"312665"	452.090817	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+H+K"	39.970434
"703626"	668.143617	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+H+K"	39.970434
"1452707"	236.038017	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H+K"	39.970434
"242401"	906.245026	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+ACN+H"	42.033826
"1221669"	474.139426	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+ACN+H"	42.033826
"1209200"	237.573351	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+ACN+2H"	43.041102
"202432"	909.18236	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+2Na-H"	44.97116
"642601"	1341.28796	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+2Na-H"	44.97116
"1146229"	477.07676	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2Na-H"	44.97116
"178218"	455.094818	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+2Na"	45.978436
"617778"	671.147618	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+2Na"	45.978436
"1118006"	239.042018	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2Na"	45.978436
"1408833"	159.697104	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H+2Na"	46.985712
"1439127"	479.118346	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H+HCOOH"	47.012746
"232102"	460.12784	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+3H2O+2H"	56.04448
"1520164"	493.17039	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+IsoProp+H"	61.06479
"422405"	463.081788	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+Na+K"	61.952376
"782667"	679.134588	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+Na+K"	61.952376
"1673896"	247.028988	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Na+K"	61.952376
"260415"	928.226968	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+ACN+Na"	64.015768
"1236404"	496.121368	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+ACN+Na"	64.015768
"1724197"	496.144893	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+NH4+HCOOH"	64.039293
"1189552"	167.024418	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+3Na"	68.967654
"1652156"	501.100288	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Na+HCOOH"	68.994688
"161935"	941.13024	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+2K-H"	76.91904
"605873"	1373.23584	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+2K-H"	76.91904
"1098770"	509.02464	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2K-H"	76.91904
"153763"	471.068758	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"2M+2K"	77.926316
"593324"	687.121558	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"3M+2K"	77.926316
"1071277"	255.015958	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2K"	77.926316
"1112141"	511.039192	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2K+H"	78.933592
"1350839"	511.126807	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+DMSO+H"	79.021207
"1017057"	515.165976	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2ACN+H"	83.060376
"1525704"	516.159608	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+IsoProp+Na+H"	84.054008
"1002724"	258.086626	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+2ACN+2H"	84.067652
"1587748"	517.074228	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+K+HCOOH"	84.968628
"1419607"	547.105738	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+H+CF3COOH"	115.000138
"1152081"	278.599901	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+3ACN+2H"	125.094202
"1699449"	564.132285	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+NH4+CF3COOH"	132.026685
"1640569"	569.08768	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+Na+CF3COOH"	136.98208
"1581688"	585.06162	"C04608"	"Apigenin 7-O-beta-D-glucoside;7-O-beta-D-Glucosyl-574-trihydroxyflavone;Apigenin 7-O-glucoside;Apigetrin;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Cosmetin;Cosmosiin"	"C21H20O10"	"432.1056"	"M+K+CF3COOH"	152.95602
"803305"	469.1584	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M"	0
"974527"	450.14001	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-H2O-H"	-19.01839
"67266"	311.764990666667	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M-3H"	-3.021828
"503180"	468.151124	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M-3H"	-3.021828
"881223"	155.378857333333	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-3H"	-3.021828
"890"	468.151124	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M-2H"	-2.014552
"442763"	702.730324	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M-2H"	-2.014552
"819468"	233.571924	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-2H"	-2.014552
"83102"	937.309524	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M-H"	-1.007276
"521936"	1406.467924	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M-H"	-1.007276
"900829"	468.151124	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-H"	-1.007276
"54475"	954.336071	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M-2H+NH4"	16.019271
"493307"	1423.494471	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M-2H+NH4"	16.019271
"870747"	485.177671	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-2H+NH4"	16.019271
"35003"	959.291466	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M-2H+Na"	20.974666
"477121"	1428.449866	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M-2H+Na"	20.974666
"856015"	490.133066	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-2H+Na"	20.974666
"1622268"	490.133066	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Na-2H"	20.974666
"96245"	486.139463	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M-H+Cl"	33.962126
"536904"	720.718663	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M-H+Cl"	33.962126
"930783"	251.560263	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-H+Cl"	33.962126
"272986"	973.286202	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+Cl"	34.969402
"662855"	1442.444602	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+Cl"	34.969402
"1274168"	504.127802	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Cl"	34.969402
"17576"	975.265406	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M-2H+K"	36.948606
"457742"	1444.423806	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M-2H+K"	36.948606
"835182"	506.107006	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-2H+K"	36.948606
"1558672"	506.107006	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+K-2H"	36.948606
"955306"	514.156594	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-H+HCOOH"	44.998194
"372427"	983.315001	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+HCOOH-H"	44.998201
"354124"	997.330651	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+Hac-H"	59.013851
"1505514"	528.172251	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Hac-H"	59.013851
"971958"	536.138551	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-H+NaCOOH"	66.980151
"121595"	504.127802	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+2Cl"	69.938804
"560062"	738.707002	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+2Cl"	69.938804
"1026674"	269.548602	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2Cl"	69.938804
"1247348"	548.077285	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Br"	78.918885
"1307242"	550.133272	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Cl+HCOOH"	80.974872
"1327292"	572.115229	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Cl+NaCOOH"	102.956829
"916164"	582.143986	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M-H+CF3COOH"	112.985586
"1299440"	618.120664	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Cl+CF3COOH"	148.962264
"1379423"	434.145724	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H-2H2O"	-35.012676
"1389628"	452.1557	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H-H2O"	-17.0027
"290044"	939.324076	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+H"	1.007276
"686839"	1408.482476	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+H"	1.007276
"1356992"	470.165676	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H"	1.007276
"130973"	470.165676	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+2H"	2.014552
"568347"	704.744876	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+2H"	2.014552
"1041528"	235.586476	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2H"	2.014552
"209427"	313.779542666667	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+3H"	3.021828
"648986"	470.165676	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+3H"	3.021828
"1172581"	157.393409333333	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+3H"	3.021828
"433667"	956.350623	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+NH4"	18.033823
"799040"	1425.509023	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+NH4"	18.033823
"1695005"	487.192223	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+NH4"	18.033823
"341460"	478.6789495	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+H+NH4"	19.041099
"736433"	713.2581495	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+H+NH4"	19.041099
"1490618"	244.0997495	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H+NH4"	19.041099
"404193"	961.306018	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+Na"	22.989218
"765187"	1430.464418	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+Na"	22.989218
"1611098"	492.147618	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Na"	22.989218
"322226"	481.156647	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+H+Na"	23.996494
"714650"	715.735847	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+H+Na"	23.996494
"1470662"	246.577447	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H+Na"	23.996494
"1067677"	164.720723333333	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2H+Na"	25.00377
"1271424"	502.191886	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+CH3OH+H"	33.033486
"392068"	977.279958	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+K"	38.963158
"753546"	1446.438358	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+K"	38.963158
"1555553"	508.121558	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+K"	38.963158
"313868"	489.143617	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+H+K"	39.970434
"704830"	723.722817	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+H+K"	39.970434
"1452817"	254.564417	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H+K"	39.970434
"241418"	980.350626	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+ACN+H"	42.033826
"1219592"	511.192226	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+ACN+H"	42.033826
"1207849"	256.099751	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+ACN+2H"	43.041102
"201812"	983.28796	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+2Na-H"	44.97116
"638091"	1452.44636	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+2Na-H"	44.97116
"1144879"	514.12956	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2Na-H"	44.97116
"179422"	492.147618	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+2Na"	45.978436
"618616"	726.726818	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+2Na"	45.978436
"1120303"	257.568418	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2Na"	45.978436
"1409307"	172.048037333333	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H+2Na"	46.985712
"1438144"	516.171146	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H+HCOOH"	47.012746
"230025"	497.18064	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+3H2O+2H"	56.04448
"1520274"	530.22319	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+IsoProp+H"	61.06479
"422149"	500.134588	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+Na+K"	61.952376
"780953"	734.713788	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+Na+K"	61.952376
"1674007"	265.555388	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Na+K"	61.952376
"256152"	1002.332568	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+ACN+Na"	64.015768
"1234328"	533.174168	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+ACN+Na"	64.015768
"1726130"	533.197693	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+NH4+HCOOH"	64.039293
"1191849"	179.375351333333	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+3Na"	68.967654
"1652995"	538.153088	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Na+HCOOH"	68.994688
"159858"	1015.23584	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+2K-H"	76.91904
"607076"	1484.39424	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+2K-H"	76.91904
"1098516"	546.07744	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2K-H"	76.91904
"155696"	508.121558	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"2M+2K"	77.926316
"593434"	742.700758	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"3M+2K"	77.926316
"1071387"	273.542358	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2K"	77.926316
"1112251"	548.091992	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2K+H"	78.933592
"1349610"	548.179607	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+DMSO+H"	79.021207
"1013887"	552.218776	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2ACN+H"	83.060376
"1524720"	553.212408	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+IsoProp+Na+H"	84.054008
"1002834"	276.613026	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+2ACN+2H"	84.067652
"1588223"	554.127028	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+K+HCOOH"	84.968628
"1418624"	584.158538	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+H+CF3COOH"	115.000138
"1151097"	297.126301	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+3ACN+2H"	125.094202
"1699559"	601.185085	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+NH4+CF3COOH"	132.026685
"1640679"	606.14048	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+Na+CF3COOH"	136.98208
"1581798"	622.11442	"C04611"	"Indol-3-ylacetyl-myo-inositol L-arabinoside"	"C21H27NO11"	"469.1584"	"M+K+CF3COOH"	152.95602
"803415"	589.071	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M"	0
"975123"	570.05261	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H2O-H"	-19.01839
"64824"	391.706724	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-3H"	-3.021828
"505114"	588.063724	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-3H"	-3.021828
"881089"	195.349724	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-3H"	-3.021828
"758"	588.063724	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H"	-2.014552
"443237"	882.599224	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H"	-2.014552
"819215"	293.528224	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H"	-2.014552
"81028"	1177.134724	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-H"	-1.007276
"520953"	1766.205724	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-H"	-1.007276
"899118"	588.063724	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H"	-1.007276
"52400"	1194.161271	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H+NH4"	16.019271
"492324"	1783.232271	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H+NH4"	16.019271
"870127"	605.090271	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H+NH4"	16.019271
"35478"	1199.116666	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H+Na"	20.974666
"482335"	1788.187666	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H+Na"	20.974666
"852845"	610.045666	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H+Na"	20.974666
"1621285"	610.045666	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na-2H"	20.974666
"97086"	606.052063	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-H+Cl"	33.962126
"539198"	900.587563	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-H+Cl"	33.962126
"930165"	311.516563	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+Cl"	33.962126
"272732"	1213.111402	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Cl"	34.969402
"661870"	1802.182402	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+Cl"	34.969402
"1275373"	624.040402	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl"	34.969402
"20117"	1215.090606	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H+K"	36.948606
"455832"	1804.161606	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H+K"	36.948606
"837480"	626.019606	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H+K"	36.948606
"1558778"	626.019606	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K-2H"	36.948606
"945202"	634.069194	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+HCOOH"	44.998194
"368525"	1223.140201	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+HCOOH-H"	44.998201
"355327"	1237.155851	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Hac-H"	59.013851
"1507565"	648.084851	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Hac-H"	59.013851
"969514"	656.051151	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+NaCOOH"	66.980151
"123891"	624.040402	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2Cl"	69.938804
"561264"	918.575902	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2Cl"	69.938804
"1028605"	329.504902	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2Cl"	69.938804
"1247458"	667.989885	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Br"	78.918885
"1309174"	670.045872	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl+HCOOH"	80.974872
"1326309"	692.027829	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl+NaCOOH"	102.956829
"922835"	702.056586	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+CF3COOH"	112.985586
"1300644"	738.033264	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl+CF3COOH"	148.962264
"1379169"	554.058324	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H-2H2O"	-35.012676
"1393018"	572.0683	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H-H2O"	-17.0027
"293434"	1179.149276	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H"	1.007276
"689501"	1768.220276	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H"	1.007276
"1357102"	590.078276	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H"	1.007276
"132176"	590.078276	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2H"	2.014552
"568457"	884.613776	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2H"	2.014552
"1042730"	295.542776	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2H"	2.014552
"210630"	393.721276	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+3H"	3.021828
"645815"	590.078276	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+3H"	3.021828
"1169409"	197.364276	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+3H"	3.021828
"427577"	1196.175823	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+NH4"	18.033823
"795866"	1785.246823	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+NH4"	18.033823
"1694386"	607.104823	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+NH4"	18.033823
"341570"	598.5915495	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H+NH4"	19.041099
"732898"	893.1270495	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H+NH4"	19.041099
"1483437"	304.0560495	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+NH4"	19.041099
"397742"	1201.131218	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Na"	22.989218
"758736"	1790.202218	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+Na"	22.989218
"1607924"	612.060218	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na"	22.989218
"320148"	601.069247	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H+Na"	23.996494
"712572"	895.604747	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H+Na"	23.996494
"1474051"	306.533747	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+Na"	23.996494
"1067179"	204.69159	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2H+Na"	25.00377
"1270074"	622.104486	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+CH3OH+H"	33.033486
"392458"	1217.105158	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+K"	38.963158
"752560"	1806.176158	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+K"	38.963158
"1555263"	628.034158	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K"	38.963158
"313248"	609.056217	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H+K"	39.970434
"702388"	903.591717	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H+K"	39.970434
"1451833"	314.520717	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+K"	39.970434
"241528"	1220.175826	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+ACN+H"	42.033826
"1218609"	631.104826	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+ACN+H"	42.033826
"1203585"	316.056051	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+ACN+2H"	43.041102
"195361"	1223.11316	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2Na-H"	44.97116
"634921"	1812.18416	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2Na-H"	44.97116
"1141708"	634.04216	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2Na-H"	44.97116
"179534"	612.060218	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2Na"	45.978436
"617998"	906.595718	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2Na"	45.978436
"1119320"	317.524718	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2Na"	45.978436
"1410510"	212.018904	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+2Na"	46.985712
"1442627"	636.083746	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+HCOOH"	47.012746
"231228"	617.09324	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+3H2O+2H"	56.04448
"1522935"	650.13579	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+IsoProp+H"	61.06479
"423353"	620.047188	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Na+K"	61.952376
"782156"	914.582688	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+Na+K"	61.952376
"1678855"	325.511688	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na+K"	61.952376
"263551"	1242.157768	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+ACN+Na"	64.015768
"1237717"	653.086768	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+ACN+Na"	64.015768
"1727657"	653.110293	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+NH4+HCOOH"	64.039293
"1193903"	219.346218	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+3Na"	68.967654
"1654199"	658.065688	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na+HCOOH"	68.994688
"162155"	1255.06104	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2K-H"	76.91904
"608279"	1844.13204	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2K-H"	76.91904
"1099233"	665.99004	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2K-H"	76.91904
"153982"	628.034158	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2K"	77.926316
"590264"	922.569658	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2K"	77.926316
"1073683"	333.498658	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2K"	77.926316
"1109081"	668.004592	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2K+H"	78.933592
"1349965"	668.092207	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+DMSO+H"	79.021207
"1017277"	672.131376	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2ACN+H"	83.060376
"1526044"	673.125008	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+IsoProp+Na+H"	84.054008
"1002944"	336.569326	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2ACN+2H"	84.067652
"1588333"	674.039628	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K+HCOOH"	84.968628
"1420920"	704.071138	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+CF3COOH"	115.000138
"1153395"	357.082601	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+3ACN+2H"	125.094202
"1700762"	721.097685	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+NH4+CF3COOH"	132.026685
"1640789"	726.05308	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na+CF3COOH"	136.98208
"1581908"	742.02702	"C04613"	"UDP-2-acetamido-4-dehydro-26-dideoxyglucose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-alpha-D-xylo-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K+CF3COOH"	152.95602
"803527"	192.027	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M"	0
"974352"	173.00861	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"62889"	127.010724	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"510329"	191.019724	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"880009"	63.001724	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"13"	191.019724	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"440309"	287.033224	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"820052"	95.006224	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"80409"	383.046724	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"519607"	575.073724	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"898135"	191.019724	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"48865"	400.073271	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"488796"	592.100271	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"872069"	208.046271	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"42161"	405.028666	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"475522"	597.055666	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"852957"	213.001666	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1621400"	213.001666	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"103400"	209.008063	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"539678"	305.021563	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"929914"	112.994563	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"273942"	419.023402	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"664176"	611.050402	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1275486"	226.996402	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"18043"	421.002606	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"459790"	613.029606	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"835405"	228.975606	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1566553"	228.975606	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"956624"	237.025194	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"371559"	429.052201	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"354711"	443.067851	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1496619"	251.040851	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"963067"	259.007151	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"117443"	226.996402	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"554085"	323.009902	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1027990"	130.982902	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1253037"	270.945885	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1310016"	273.001872	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1332627"	294.983829	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"920765"	305.012586	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1294192"	340.989264	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1373811"	157.014324	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1386935"	175.0243	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"287715"	385.061276	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"680866"	577.088276	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1357214"	193.034276	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H"	1.007276
"131200"	193.034276	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"567599"	289.047776	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1041744"	97.020776	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"208552"	129.025276	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"645923"	193.034276	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1167331"	65.016276	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"430605"	402.087823	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"790510"	594.114823	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1686841"	210.060823	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"336211"	201.5475495	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"728633"	297.5610495	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1483547"	105.5340495	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"398942"	407.043218	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"758844"	599.070218	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1608038"	215.016218	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"326837"	204.025247	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"722141"	300.038747	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1473079"	108.011747	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1067050"	72.34359	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1270190"	225.060486	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"392046"	423.017158	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"753039"	615.044158	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1550716"	230.990158	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+K"	38.963158
"312263"	212.012217	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"702496"	308.025717	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1451942"	115.998717	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"241636"	426.087826	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1215437"	234.060826	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1197131"	117.534051	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"193280"	429.02516	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"633943"	621.05216	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1134531"	236.99816	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"176362"	215.016218	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"626876"	311.029718	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1128926"	119.002718	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1409529"	79.670904	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1438364"	239.039746	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"226963"	220.04924	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1513933"	253.09179	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"414716"	223.003188	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"777896"	319.016688	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1672038"	126.989688	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"258558"	448.069768	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1238921"	256.042768	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1721252"	256.066293	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1187701"	86.998218	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1656501"	261.021688	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"170660"	460.97304	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"612044"	653.00004	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1096923"	268.94604	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"153003"	230.990158	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"596456"	327.003658	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1081455"	134.976658	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1110293"	270.960592	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1349349"	271.048207	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1014108"	275.087376	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1537949"	276.081008	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"996495"	138.047326	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1597560"	276.995628	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1427960"	307.027138	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1162149"	158.560601	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1711090"	324.053685	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1649775"	329.00908	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1582020"	344.98302	"C04617"	"(1S2S)-1-Hydroxypropane-123-tricarboxylate;D-erythro-Isocitric acid"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"812388"	248.0433	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M"	0
"988841"	229.02491	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H2O-H"	-19.01839
"71977"	164.354924	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-3H"	-3.021828
"514822"	247.036024	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-3H"	-3.021828
"894444"	81.673824	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-3H"	-3.021828
"12288"	247.036024	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H"	-2.014552
"454767"	371.057674	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H"	-2.014552
"830745"	123.014374	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H"	-2.014552
"89641"	495.079324	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-H"	-1.007276
"528111"	743.122624	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-H"	-1.007276
"908714"	247.036024	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H"	-1.007276
"59201"	512.105871	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+NH4"	16.019271
"500946"	760.149171	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H+NH4"	16.019271
"876559"	264.062571	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H+NH4"	16.019271
"38993"	517.061266	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+Na"	20.974666
"482927"	765.104566	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H+Na"	20.974666
"857448"	269.017966	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H+Na"	20.974666
"1628077"	269.017966	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na-2H"	20.974666
"103516"	265.024363	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-H+Cl"	33.962126
"536513"	389.046013	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-H+Cl"	33.962126
"930758"	141.002713	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+Cl"	33.962126
"275151"	531.056002	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Cl"	34.969402
"663924"	779.099302	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Cl"	34.969402
"1276691"	283.012702	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl"	34.969402
"24721"	533.035206	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+K"	36.948606
"470973"	781.078506	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H+K"	36.948606
"842086"	284.991906	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H+K"	36.948606
"1561199"	284.991906	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K-2H"	36.948606
"947989"	293.041494	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+HCOOH"	44.998194
"369483"	541.084801	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+HCOOH-H"	44.998201
"354459"	555.100451	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Hac-H"	59.013851
"1496364"	307.057151	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Hac-H"	59.013851
"967551"	315.023451	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+NaCOOH"	66.980151
"117557"	283.012702	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Cl"	69.938804
"558209"	407.034352	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Cl"	69.938804
"1036132"	158.991052	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Cl"	69.938804
"1250967"	326.962185	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Br"	78.918885
"1317793"	329.018172	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+HCOOH"	80.974872
"1333100"	351.000129	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+NaCOOH"	102.956829
"925255"	361.028886	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+CF3COOH"	112.985586
"1301963"	397.005564	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+CF3COOH"	148.962264
"1377935"	213.030624	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H-2H2O"	-35.012676
"1392150"	231.0406	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H-H2O"	-17.0027
"287466"	497.093876	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H"	1.007276
"682075"	745.137176	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H"	1.007276
"1359517"	249.050576	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H"	1.007276
"137875"	249.050576	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2H"	2.014552
"580717"	373.072226	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2H"	2.014552
"1052070"	125.028926	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2H"	2.014552
"219773"	166.369476	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+3H"	3.021828
"658074"	249.050576	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+3H"	3.021828
"1177657"	83.688376	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3H"	3.021828
"431815"	514.120423	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+NH4"	18.033823
"796091"	762.163723	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+NH4"	18.033823
"1695339"	266.077123	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4"	18.033823
"341794"	257.5638495	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+NH4"	19.041099
"730933"	381.5854995	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+NH4"	19.041099
"1484753"	133.5421995	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+NH4"	19.041099
"407098"	519.075818	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Na"	22.989218
"768456"	767.119118	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Na"	22.989218
"1616920"	271.032518	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na"	22.989218
"328412"	260.041547	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+Na"	23.996494
"721198"	384.063197	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+Na"	23.996494
"1476641"	136.019897	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+Na"	23.996494
"1067535"	91.01569	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2H+Na"	25.00377
"1272453"	281.076786	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+CH3OH+H"	33.033486
"388877"	535.049758	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+K"	38.963158
"752056"	783.093058	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+K"	38.963158
"1548640"	287.006458	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K"	38.963158
"304720"	268.028517	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+K"	39.970434
"694954"	392.050167	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+K"	39.970434
"1447677"	144.006867	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+K"	39.970434
"238466"	538.120426	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+ACN+H"	42.033826
"1214459"	290.077126	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+H"	42.033826
"1197247"	145.542201	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+2H"	43.041102
"192306"	541.05776	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Na-H"	44.97116
"644192"	789.10106	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Na-H"	44.97116
"1147036"	293.01446	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Na-H"	44.97116
"186337"	271.032518	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Na"	45.978436
"626258"	395.054168	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Na"	45.978436
"1129400"	147.010868	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Na"	45.978436
"1414090"	98.343004	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+2Na"	46.985712
"1445553"	295.056046	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+HCOOH"	47.012746
"233640"	276.06554	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+3H2O+2H"	56.04448
"1522431"	309.10809	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+IsoProp+H"	61.06479
"421387"	279.019488	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Na+K"	61.952376
"780197"	403.041138	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Na+K"	61.952376
"1680181"	154.997838	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+K"	61.952376
"266829"	560.102368	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+ACN+Na"	64.015768
"1241272"	312.059068	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+Na"	64.015768
"1728250"	312.082593	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4+HCOOH"	64.039293
"1192936"	105.670318	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3Na"	68.967654
"1664407"	317.037988	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+HCOOH"	68.994688
"171510"	573.00564	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2K-H"	76.91904
"609610"	821.04894	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2K-H"	76.91904
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"155314"	287.006458	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2K"	77.926316
"594511"	411.028108	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2K"	77.926316
"1083891"	162.984808	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K"	77.926316
"1115316"	326.976892	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K+H"	78.933592
"1349952"	327.064507	"C04621"	"(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+DMSO+H"	79.021207
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"38010"	517.061266	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+Na"	20.974666
"478663"	765.104566	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H+Na"	20.974666
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"664036"	779.099302	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Cl"	34.969402
"1274128"	283.012702	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl"	34.969402
"20089"	533.035206	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+K"	36.948606
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"949192"	293.041494	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+HCOOH"	44.998194
"364852"	541.084801	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+HCOOH-H"	44.998201
"347276"	555.100451	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Hac-H"	59.013851
"1493556"	307.057151	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Hac-H"	59.013851
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"113288"	283.012702	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Cl"	69.938804
"549999"	407.034352	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Cl"	69.938804
"1035148"	158.991052	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Cl"	69.938804
"1256550"	326.962185	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Br"	78.918885
"1317537"	329.018172	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+HCOOH"	80.974872
"1332119"	351.000129	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+NaCOOH"	102.956829
"924271"	361.028886	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+CF3COOH"	112.985586
"1300980"	397.005564	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+CF3COOH"	148.962264
"1376952"	213.030624	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H-2H2O"	-35.012676
"1391167"	231.0406	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H-H2O"	-17.0027
"290858"	497.093876	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H"	1.007276
"681091"	745.137176	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H"	1.007276
"1355252"	249.050576	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H"	1.007276
"135799"	249.050576	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2H"	2.014552
"577183"	373.072226	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2H"	2.014552
"1044159"	125.028926	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2H"	2.014552
"212059"	166.369476	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+3H"	3.021828
"649430"	249.050576	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+3H"	3.021828
"1173027"	83.688376	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3H"	3.021828
"428645"	514.120423	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+NH4"	18.033823
"792919"	762.163723	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+NH4"	18.033823
"1695085"	266.077123	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4"	18.033823
"337528"	257.5638495	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+NH4"	19.041099
"728855"	381.5854995	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+NH4"	19.041099
"1481581"	133.5421995	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+NH4"	19.041099
"406843"	519.075818	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Na"	22.989218
"767836"	767.119118	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Na"	22.989218
"1616299"	271.032518	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na"	22.989218
"327792"	260.041547	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+Na"	23.996494
"720946"	384.063197	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+Na"	23.996494
"1475858"	136.019897	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+Na"	23.996494
"1067642"	91.01569	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2H+Na"	25.00377
"1270778"	281.076786	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+CH3OH+H"	33.033486
"387894"	535.049758	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+K"	38.963158
"751073"	783.093058	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+K"	38.963158
"1548750"	287.006458	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K"	38.963158
"304830"	268.028517	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+K"	39.970434
"693970"	392.050167	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+K"	39.970434
"1448879"	144.006867	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+K"	39.970434
"241856"	538.120426	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+ACN+H"	42.033826
"1216019"	290.077126	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+H"	42.033826
"1199542"	145.542201	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+2H"	43.041102
"195695"	541.05776	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Na-H"	44.97116
"643298"	789.10106	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Na-H"	44.97116
"1145709"	293.01446	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Na-H"	44.97116
"185716"	271.032518	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Na"	45.978436
"622722"	395.054168	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Na"	45.978436
"1125131"	147.010868	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Na"	45.978436
"1406471"	98.343004	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+2Na"	46.985712
"1436397"	295.056046	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+HCOOH"	47.012746
"225001"	276.06554	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+3H2O+2H"	56.04448
"1519625"	309.10809	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+IsoProp+H"	61.06479
"417124"	279.019488	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Na+K"	61.952376
"774838"	403.041138	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Na+K"	61.952376
"1670076"	154.997838	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+K"	61.952376
"263893"	560.102368	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+ACN+Na"	64.015768
"1235872"	312.059068	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+Na"	64.015768
"1727678"	312.082593	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4+HCOOH"	64.039293
"1193973"	105.670318	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3Na"	68.967654
"1664031"	317.037988	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+HCOOH"	68.994688
"172104"	573.00564	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2K-H"	76.91904
"611539"	821.04894	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2K-H"	76.91904
"1097869"	324.96234	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K-H"	76.91904
"153233"	287.006458	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2K"	77.926316
"593155"	411.028108	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2K"	77.926316
"1079127"	162.984808	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K"	77.926316
"1112339"	326.976892	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K+H"	78.933592
"1349089"	327.064507	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+DMSO+H"	79.021207
"1019933"	331.103676	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2ACN+H"	83.060376
"1539397"	332.097308	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+IsoProp+Na+H"	84.054008
"1005237"	166.055476	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2ACN+2H"	84.067652
"1602414"	333.011928	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K+HCOOH"	84.968628
"1429284"	363.043438	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+CF3COOH"	115.000138
"1162248"	186.568751	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3ACN+2H"	125.094202
"1712699"	380.069985	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4+CF3COOH"	132.026685
"1646590"	385.02538	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+CF3COOH"	136.98208
"1575681"	400.99932	"C04622"	"(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K+CF3COOH"	152.95602
"812608"	351.9147	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M"	0
"987236"	332.89631	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-H2O-H"	-19.01839
"67821"	233.602524	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M-3H"	-3.021828
"507383"	350.907424	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M-3H"	-3.021828
"882997"	116.297624	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-3H"	-3.021828
"9226"	350.907424	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H"	-2.014552
"453162"	526.864774	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H"	-2.014552
"827684"	174.950074	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H"	-2.014552
"88768"	702.822124	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M-H"	-1.007276
"527237"	1054.736824	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M-H"	-1.007276
"907600"	350.907424	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-H"	-1.007276
"57232"	719.848671	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H+NH4"	16.019271
"496791"	1071.763371	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H+NH4"	16.019271
"868031"	367.933971	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H+NH4"	16.019271
"39213"	724.804066	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H+Na"	20.974666
"479866"	1076.718766	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H+Na"	20.974666
"852200"	372.889366	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H+Na"	20.974666
"1625015"	372.889366	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na-2H"	20.974666
"104826"	368.895763	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M-H+Cl"	33.962126
"537830"	544.853113	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M-H+Cl"	33.962126
"933529"	192.938413	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+Cl"	33.962126
"273547"	738.798802	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Cl"	34.969402
"665968"	1090.713502	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+Cl"	34.969402
"1273061"	386.884102	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl"	34.969402
"20199"	740.778006	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H+K"	36.948606
"458665"	1092.692706	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H+K"	36.948606
"841210"	388.863306	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H+K"	36.948606
"1562512"	388.863306	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+K-2H"	36.948606
"950395"	396.912894	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+HCOOH"	44.998194
"365327"	748.827601	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+HCOOH-H"	44.998201
"348844"	762.843251	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Hac-H"	59.013851
"1493787"	410.928551	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Hac-H"	59.013851
"963396"	418.894851	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+NaCOOH"	66.980151
"112303"	386.884102	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2Cl"	69.938804
"550522"	562.841452	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2Cl"	69.938804
"1036715"	210.926752	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2Cl"	69.938804
"1256663"	430.833585	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Br"	78.918885
"1318619"	432.889572	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl+HCOOH"	80.974872
"1334781"	454.871529	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl+NaCOOH"	102.956829
"926204"	464.900286	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+CF3COOH"	112.985586
"1303765"	500.876964	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl+CF3COOH"	148.962264
"1377062"	316.902024	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H-2H2O"	-35.012676
"1391277"	334.912	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H-H2O"	-17.0027
"290968"	704.836676	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H"	1.007276
"680108"	1056.751376	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H"	1.007276
"1354269"	352.921976	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H"	1.007276
"135909"	352.921976	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2H"	2.014552
"577657"	528.879326	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2H"	2.014552
"1045362"	176.964626	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2H"	2.014552
"212169"	235.617076	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+3H"	3.021828
"650633"	352.921976	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+3H"	3.021828
"1172044"	118.312176	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+3H"	3.021828
"429848"	721.863223	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+NH4"	18.033823
"793028"	1073.777923	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+NH4"	18.033823
"1694830"	369.948523	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+NH4"	18.033823
"336545"	361.4352495	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H+NH4"	19.041099
"726778"	537.3925995	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H+NH4"	19.041099
"1479869"	185.4778995	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+NH4"	19.041099
"406948"	726.818618	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Na"	22.989218
"766851"	1078.733318	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+Na"	22.989218
"1614952"	374.903918	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na"	22.989218
"328267"	363.912947	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H+Na"	23.996494
"721419"	539.870297	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H+Na"	23.996494
"1476452"	187.955597	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+Na"	23.996494
"1067997"	125.63949	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2H+Na"	25.00377
"1270888"	384.948186	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+CH3OH+H"	33.033486
"389462"	742.792558	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+K"	38.963158
"751183"	1094.707258	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+K"	38.963158
"1548860"	390.877858	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+K"	38.963158
"306033"	371.899917	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H+K"	39.970434
"693108"	547.857267	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H+K"	39.970434
"1448990"	195.942567	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+K"	39.970434
"240871"	745.863226	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+ACN+H"	42.033826
"1216858"	393.948526	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+ACN+H"	42.033826
"1198192"	197.477901	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+ACN+2H"	43.041102
"195800"	748.80056	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2Na-H"	44.97116
"634273"	1100.71526	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2Na-H"	44.97116
"1146670"	396.88586	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2Na-H"	44.97116
"186676"	374.903918	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2Na"	45.978436
"622832"	550.861268	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2Na"	45.978436
"1127063"	198.946568	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2Na"	45.978436
"1405487"	132.966804	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+2Na"	46.985712
"1434685"	398.927446	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+HCOOH"	47.012746
"226204"	379.93694	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+3H2O+2H"	56.04448
"1520828"	412.97949	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+IsoProp+H"	61.06479
"417234"	382.890888	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Na+K"	61.952376
"776041"	558.848238	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+Na+K"	61.952376
"1671279"	206.933538	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na+K"	61.952376
"265825"	767.845168	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+ACN+Na"	64.015768
"1235982"	415.930468	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+ACN+Na"	64.015768
"1726332"	415.953993	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+NH4+HCOOH"	64.039293
"1193515"	140.294118	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+3Na"	68.967654
"1665231"	420.909388	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na+HCOOH"	68.994688
"170998"	780.74844	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2K-H"	76.91904
"610193"	1132.66314	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2K-H"	76.91904
"1097251"	428.83374	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2K-H"	76.91904
"152615"	390.877858	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2K"	77.926316
"590716"	566.835208	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2K"	77.926316
"1078874"	214.920508	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2K"	77.926316
"1111356"	430.848292	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2K+H"	78.933592
"1348835"	430.935907	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+DMSO+H"	79.021207
"1019558"	434.975076	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2ACN+H"	83.060376
"1539863"	435.968708	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+IsoProp+Na+H"	84.054008
"1005104"	217.991176	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+2ACN+2H"	84.067652
"1601186"	436.883328	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+K+HCOOH"	84.968628
"1429032"	466.914838	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+CF3COOH"	115.000138
"1162438"	238.504451	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+3ACN+2H"	125.094202
"1711051"	483.941385	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+NH4+CF3COOH"	132.026685
"1645608"	488.89678	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na+CF3COOH"	136.98208
"1579071"	504.87072	"C04623"	"DDT;111-Trichloro-22-bis(4-chlorophenyl)ethane;111-Trichloro-22-bis-(4-chlorophenyl)ethane;Clofenotane;Dichlorodiphenyltrichloroethane"	"C14H9Cl5"	"351.9147"	"M+K+CF3COOH"	152.95602
"812718"	209.9487	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M"	0
"985159"	190.93031	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-H2O-H"	-19.01839
"70120"	138.958524	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M-3H"	-3.021828
"512962"	208.941424	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M-3H"	-3.021828
"888576"	68.975624	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-3H"	-3.021828
"7150"	208.941424	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M-2H"	-2.014552
"452179"	313.915774	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M-2H"	-2.014552
"826701"	103.967074	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-2H"	-2.014552
"86691"	418.890124	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M-H"	-1.007276
"528440"	628.838824	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M-H"	-1.007276
"909166"	208.941424	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-H"	-1.007276
"59894"	435.916671	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+NH4"	16.019271
"497994"	645.865371	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+NH4"	16.019271
"868141"	225.967971	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-2H+NH4"	16.019271
"39323"	440.872066	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+Na"	20.974666
"476696"	650.820766	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+Na"	20.974666
"850244"	230.923366	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-2H+Na"	20.974666
"1622938"	230.923366	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Na-2H"	20.974666
"95090"	226.929763	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M-H+Cl"	33.962126
"539031"	331.904113	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M-H+Cl"	33.962126
"928046"	121.955413	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-H+Cl"	33.962126
"275115"	454.866802	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+Cl"	34.969402
"667536"	664.815502	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+Cl"	34.969402
"1273738"	244.918102	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Cl"	34.969402
"19580"	456.846006	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+K"	36.948606
"458046"	666.794706	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+K"	36.948606
"842413"	246.897306	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-2H+K"	36.948606
"1562622"	246.897306	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+K-2H"	36.948606
"952692"	254.946894	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-H+HCOOH"	44.998194
"365801"	464.895601	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+HCOOH-H"	44.998201
"348224"	478.911251	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+Hac-H"	59.013851
"1494504"	268.962551	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Hac-H"	59.013851
"963506"	276.928851	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-H+NaCOOH"	66.980151
"114601"	244.918102	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+2Cl"	69.938804
"550063"	349.892452	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+2Cl"	69.938804
"1032445"	139.943752	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2Cl"	69.938804
"1256606"	288.867585	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Br"	78.918885
"1317027"	290.923572	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+HCOOH"	80.974872
"1325773"	312.905529	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+NaCOOH"	102.956829
"922302"	322.934286	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M-H+CF3COOH"	112.985586
"1299008"	358.910964	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+CF3COOH"	148.962264
"1373890"	174.936024	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+H-2H2O"	-35.012676
"1387009"	192.946	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+H-H2O"	-17.0027
"295450"	420.904676	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+H"	1.007276
"684593"	630.853376	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+H"	1.007276
"1362035"	210.955976	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+H"	1.007276
"138203"	210.955976	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+2H"	2.014552
"576669"	315.930326	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+2H"	2.014552
"1041093"	105.981626	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2H"	2.014552
"213373"	140.973076	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+3H"	3.021828
"651836"	210.955976	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+3H"	3.021828
"1165587"	70.990176	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+3H"	3.021828
"425214"	437.931223	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+NH4"	18.033823
"792045"	647.879923	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+NH4"	18.033823
"1685094"	227.982523	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+NH4"	18.033823
"334465"	219.4692495	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+H+NH4"	19.041099
"724334"	324.4435995	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+H+NH4"	19.041099
"1478514"	114.4948995	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+H+NH4"	19.041099
"407054"	442.886618	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+Na"	22.989218
"768056"	652.835318	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+Na"	22.989218
"1616882"	232.937918	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Na"	22.989218
"328862"	221.946947	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+H+Na"	23.996494
"720797"	326.921297	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+H+Na"	23.996494
"1474615"	116.972597	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+H+Na"	23.996494
"1066769"	78.31749	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2H+Na"	25.00377
"1271363"	242.982186	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+CH3OH+H"	33.033486
"391759"	458.860558	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+K"	38.963158
"749106"	668.809258	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+K"	38.963158
"1548970"	248.911858	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+K"	38.963158
"305050"	229.933917	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+H+K"	39.970434
"693461"	334.908267	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+H+K"	39.970434
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"1125350"	127.963568	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2Na"	45.978436
"1404138"	85.644804	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+H+2Na"	46.985712
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"416248"	240.924888	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+Na+K"	61.952376
"773962"	345.899238	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+Na+K"	61.952376
"1672482"	135.950538	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Na+K"	61.952376
"265571"	483.913168	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+ACN+Na"	64.015768
"1239373"	273.964468	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+ACN+Na"	64.015768
"1726077"	273.987993	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+NH4+HCOOH"	64.039293
"1193260"	92.972118	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+3Na"	68.967654
"1663153"	278.943388	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+Na+HCOOH"	68.994688
"170738"	496.81644	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"2M+2K-H"	76.91904
"610663"	706.76514	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+2K-H"	76.91904
"1097727"	286.86774	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2K-H"	76.91904
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"590825"	353.886208	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"3M+2K"	77.926316
"1079712"	143.937508	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2K"	77.926316
"1112560"	288.882292	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2K+H"	78.933592
"1348216"	288.969907	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+DMSO+H"	79.021207
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"1004971"	147.008176	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+2ACN+2H"	84.067652
"1601905"	294.917328	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+K+HCOOH"	84.968628
"1429385"	324.948838	"C04625"	"24-Dichloro-25-dihydro-5-oxofuran-2-acetate;35-Dichloro-25-dihydro-2-oxofuran-5-acetate"	"C6H4Cl2O4"	"209.9487"	"M+H+CF3COOH"	115.000138
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"69138"	227.716390666667	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M-3H"	-3.021828
"513072"	342.078224	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M-3H"	-3.021828
"884311"	113.354557333333	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-3H"	-3.021828
"7261"	342.078224	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M-2H"	-2.014552
"452289"	513.620974	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M-2H"	-2.014552
"827904"	170.535474	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-2H"	-2.014552
"91911"	685.163724	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M-H"	-1.007276
"530744"	1028.249224	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M-H"	-1.007276
"909275"	342.078224	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-H"	-1.007276
"59273"	702.190271	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M-2H+NH4"	16.019271
"498104"	1045.275771	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M-2H+NH4"	16.019271
"871532"	359.104771	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-2H+NH4"	16.019271
"33965"	707.145666	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M-2H+Na"	20.974666
"476806"	1050.231166	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M-2H+Na"	20.974666
"861171"	364.060166	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-2H+Na"	20.974666
"1620863"	364.060166	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Na-2H"	20.974666
"106145"	360.066563	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M-H+Cl"	33.962126
"539143"	531.609313	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M-H+Cl"	33.962126
"940316"	188.523813	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-H+Cl"	33.962126
"282032"	721.140402	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+Cl"	34.969402
"669105"	1064.225902	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+Cl"	34.969402
"1281508"	378.054902	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Cl"	34.969402
"22972"	723.119606	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M-2H+K"	36.948606
"471174"	1066.205106	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M-2H+K"	36.948606
"843618"	380.034106	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-2H+K"	36.948606
"1564918"	380.034106	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+K-2H"	36.948606
"955356"	388.083694	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-H+HCOOH"	44.998194
"371016"	731.169201	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+HCOOH-H"	44.998201
"354900"	745.184851	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+Hac-H"	59.013851
"1500452"	402.099351	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Hac-H"	59.013851
"967994"	410.065651	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-H+NaCOOH"	66.980151
"115077"	378.054902	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+2Cl"	69.938804
"563760"	549.597652	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+2Cl"	69.938804
"1036454"	206.512152	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2Cl"	69.938804
"1256154"	422.004385	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Br"	78.918885
"1319569"	424.060372	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Cl+HCOOH"	80.974872
"1334882"	446.042329	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Cl+NaCOOH"	102.956829
"926059"	456.071086	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M-H+CF3COOH"	112.985586
"1302401"	492.047764	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Cl+CF3COOH"	148.962264
"1376187"	308.072824	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H-2H2O"	-35.012676
"1393688"	326.0828	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H-H2O"	-17.0027
"291187"	687.178276	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+H"	1.007276
"684703"	1030.263776	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+H"	1.007276
"1358863"	344.092776	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H"	1.007276
"136126"	344.092776	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+2H"	2.014552
"576781"	515.635526	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+2H"	2.014552
"1051659"	172.550026	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2H"	2.014552
"211296"	229.730942666667	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+3H"	3.021828
"651948"	344.092776	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+3H"	3.021828
"1170075"	115.369109333333	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+3H"	3.021828
"435537"	704.204823	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+NH4"	18.033823
"796532"	1047.290323	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+NH4"	18.033823
"1685572"	361.119323	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+NH4"	18.033823
"333117"	352.6060495	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+H+NH4"	19.041099
"724079"	524.1487995	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+H+NH4"	19.041099
"1492377"	181.0632995	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H+NH4"	19.041099
"404985"	709.160218	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+Na"	22.989218
"768166"	1052.245718	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+Na"	22.989218
"1616264"	366.074718	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Na"	22.989218
"328120"	355.083747	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+H+Na"	23.996494
"721998"	526.626497	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+H+Na"	23.996494
"1476180"	183.540997	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H+Na"	23.996494
"1063599"	122.696423333333	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2H+Na"	25.00377
"1271837"	376.118986	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+CH3OH+H"	33.033486
"390046"	725.134158	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+K"	38.963158
"750308"	1068.219658	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+K"	38.963158
"1545797"	382.048658	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+K"	38.963158
"305160"	363.070717	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+H+K"	39.970434
"692838"	534.613467	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+H+K"	39.970434
"1450300"	191.527967	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H+K"	39.970434
"240360"	728.204826	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+ACN+H"	42.033826
"1213433"	385.119326	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+ACN+H"	42.033826
"1198773"	193.063301	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+ACN+2H"	43.041102
"192742"	731.14216	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+2Na-H"	44.97116
"641071"	1074.22766	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+2Na-H"	44.97116
"1143482"	388.05666	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2Na-H"	44.97116
"185313"	366.074718	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+2Na"	45.978436
"621955"	537.617468	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+2Na"	45.978436
"1122547"	194.531968	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2Na"	45.978436
"1403518"	130.023737333333	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H+2Na"	46.985712
"1435637"	390.098246	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H+HCOOH"	47.012746
"229707"	371.10774	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+3H2O+2H"	56.04448
"1515582"	404.15029	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+IsoProp+H"	61.06479
"416362"	374.061688	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+Na+K"	61.952376
"775168"	545.604438	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+Na+K"	61.952376
"1680503"	202.518938	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Na+K"	61.952376
"265314"	750.186768	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+ACN+Na"	64.015768
"1240213"	407.101268	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+ACN+Na"	64.015768
"1728361"	407.124793	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+NH4+HCOOH"	64.039293
"1192639"	137.351051333333	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+3Na"	68.967654
"1663986"	412.080188	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Na+HCOOH"	68.994688
"172586"	763.09004	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+2K-H"	76.91904
"611138"	1106.17554	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+2K-H"	76.91904
"1097845"	420.00454	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2K-H"	76.91904
"153200"	382.048658	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"2M+2K"	77.926316
"593123"	553.591408	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"3M+2K"	77.926316
"1083108"	210.505908	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2K"	77.926316
"1113891"	422.019092	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2K+H"	78.933592
"1350526"	422.106707	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+DMSO+H"	79.021207
"1020266"	426.145876	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2ACN+H"	83.060376
"1538392"	427.139508	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+IsoProp+Na+H"	84.054008
"1005328"	213.576576	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+2ACN+2H"	84.067652
"1601407"	428.054128	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+K+HCOOH"	84.968628
"1428522"	458.085638	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+H+CF3COOH"	115.000138
"1160996"	234.089851	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+3ACN+2H"	125.094202
"1712571"	475.112185	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+NH4+CF3COOH"	132.026685
"1645828"	480.06758	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+Na+CF3COOH"	136.98208
"1579293"	496.04152	"C04628"	"Coenzyme B;N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate;N-(7-Mercaptoheptanoyl)threonine O3-phosphate;HTP"	"C11H22NO7PS"	"343.0855"	"M+K+CF3COOH"	152.95602
"811847"	590.1026	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M"	0
"976632"	571.08421	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-H2O-H"	-19.01839
"65968"	392.394457333333	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M-3H"	-3.021828
"510995"	589.095324	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M-3H"	-3.021828
"882235"	195.693590666667	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-3H"	-3.021828
"5185"	589.095324	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M-2H"	-2.014552
"451306"	884.146624	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M-2H"	-2.014552
"825828"	294.044024	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-2H"	-2.014552
"92022"	1179.197924	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M-H"	-1.007276
"531583"	1769.300524	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M-H"	-1.007276
"909021"	589.095324	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-H"	-1.007276
"60112"	1196.224471	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M-2H+NH4"	16.019271
"496392"	1786.327071	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M-2H+NH4"	16.019271
"867267"	606.121871	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-2H+NH4"	16.019271
"32982"	1201.179866	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M-2H+Na"	20.974666
"473636"	1791.282466	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M-2H+Na"	20.974666
"860188"	611.077266	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-2H+Na"	20.974666
"1620973"	611.077266	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Na-2H"	20.974666
"107348"	607.083663	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M-H+Cl"	33.962126
"539253"	902.134963	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M-H+Cl"	33.962126
"934955"	312.032363	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-H+Cl"	33.962126
"281778"	1215.174602	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+Cl"	34.969402
"668122"	1805.277202	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+Cl"	34.969402
"1281618"	625.072002	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Cl"	34.969402
"23082"	1217.153806	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M-2H+K"	36.948606
"469208"	1807.256406	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M-2H+K"	36.948606
"844820"	627.051206	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-2H+K"	36.948606
"1566121"	627.051206	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+K-2H"	36.948606
"956559"	635.100794	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-H+HCOOH"	44.998194
"371126"	1225.203401	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+HCOOH-H"	44.998201
"356103"	1239.219051	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+Hac-H"	59.013851
"1501655"	649.116451	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Hac-H"	59.013851
"968104"	657.082751	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-H+NaCOOH"	66.980151
"114094"	625.072002	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+2Cl"	69.938804
"563992"	920.123302	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+2Cl"	69.938804
"1036932"	330.020702	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2Cl"	69.938804
"1256385"	669.021485	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Br"	78.918885
"1317977"	671.077472	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Cl+HCOOH"	80.974872
"1335116"	693.059429	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Cl+NaCOOH"	102.956829
"925439"	703.088186	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M-H+CF3COOH"	112.985586
"1302147"	739.064864	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Cl+CF3COOH"	148.962264
"1376297"	555.089924	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H-2H2O"	-35.012676
"1393801"	573.0999	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H-H2O"	-17.0027
"290204"	1181.212476	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+H"	1.007276
"689189"	1771.315076	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+H"	1.007276
"1366390"	591.109876	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H"	1.007276
"138425"	591.109876	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+2H"	2.014552
"577620"	886.161176	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+2H"	2.014552
"1051407"	296.058576	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2H"	2.014552
"211406"	394.409009333333	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+3H"	3.021828
"650965"	591.109876	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+3H"	3.021828
"1169092"	197.708142666667	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+3H"	3.021828
"434554"	1198.239023	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+NH4"	18.033823
"795549"	1788.341623	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+NH4"	18.033823
"1686411"	608.136423	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+NH4"	18.033823
"333227"	599.6231495	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+H+NH4"	19.041099
"724918"	894.6744495	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+H+NH4"	19.041099
"1489690"	304.5718495	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H+NH4"	19.041099
"405091"	1203.194418	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+Na"	22.989218
"768275"	1793.297018	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+Na"	22.989218
"1615281"	613.091818	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Na"	22.989218
"327865"	602.100847	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+H+Na"	23.996494
"718826"	897.152147	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+H+Na"	23.996494
"1473737"	307.049547	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H+Na"	23.996494
"1066984"	205.035456666667	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2H+Na"	25.00377
"1270851"	623.136086	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+CH3OH+H"	33.033486
"391612"	1219.168358	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+K"	38.963158
"744951"	1809.270958	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+K"	38.963158
"1542627"	629.065758	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+K"	38.963158
"301990"	610.087817	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+H+K"	39.970434
"691568"	905.139117	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+H+K"	39.970434
"1447860"	315.036517	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H+K"	39.970434
"239012"	1222.239026	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+ACN+H"	42.033826
"1214271"	632.136426	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+ACN+H"	42.033826
"1197424"	316.571851	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+ACN+2H"	43.041102
"193210"	1225.17636	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+2Na-H"	44.97116
"643487"	1815.27896	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+2Na-H"	44.97116
"1143227"	635.07376	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2Na-H"	44.97116
"179590"	613.091818	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+2Na"	45.978436
"620972"	908.143118	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+2Na"	45.978436
"1121563"	318.040518	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2Na"	45.978436
"1402537"	212.362770666667	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H+2Na"	46.985712
"1436840"	637.115346	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H+HCOOH"	47.012746
"228724"	618.12484	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+3H2O+2H"	56.04448
"1515692"	651.16739	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+IsoProp+H"	61.06479
"415376"	621.078788	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+Na+K"	61.952376
"773091"	916.130088	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+Na+K"	61.952376
"1679269"	326.027488	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Na+K"	61.952376
"262507"	1244.220968	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+ACN+Na"	64.015768
"1239593"	654.118368	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+ACN+Na"	64.015768
"1727395"	654.141893	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+NH4+HCOOH"	64.039293
"1191653"	219.690084666667	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+3Na"	68.967654
"1664096"	659.097288	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Na+HCOOH"	68.994688
"171926"	1257.12424	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+2K-H"	76.91904
"612098"	1847.22684	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+2K-H"	76.91904
"1097466"	667.02164	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2K-H"	76.91904
"153309"	629.065758	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"2M+2K"	77.926316
"593961"	924.117058	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"3M+2K"	77.926316
"1081028"	334.014458	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2K"	77.926316
"1114608"	669.036192	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2K+H"	78.933592
"1350759"	669.123807	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+DMSO+H"	79.021207
"1018431"	673.162976	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2ACN+H"	83.060376
"1537650"	674.156608	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+IsoProp+Na+H"	84.054008
"1004463"	337.085126	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+2ACN+2H"	84.067652
"1599695"	675.071228	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+K+HCOOH"	84.968628
"1427903"	705.102738	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+H+CF3COOH"	115.000138
"1162200"	357.598401	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+3ACN+2H"	125.094202
"1712438"	722.129285	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+NH4+CF3COOH"	132.026685
"1645938"	727.08468	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+Na+CF3COOH"	136.98208
"1579403"	743.05862	"C04630"	"UDP-2-acetamido-4-amino-246-trideoxy-alpha-D-glucose;UDP-4-amino-46-dideoxy-N-acetyl-alpha-D-glucosamine;UDP-N-acetylbacillosamine"	"C17H28N4O15P2"	"590.1026"	"M+K+CF3COOH"	152.95602
"811957"	677.087	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M"	0
"975040"	658.06861	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-H2O-H"	-19.01839
"63280"	450.384057333333	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M-3H"	-3.021828
"504543"	676.079724	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M-3H"	-3.021828
"881005"	224.688390666667	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-3H"	-3.021828
"6388"	676.079724	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M-2H"	-2.014552
"451416"	1014.623224	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M-2H"	-2.014552
"825938"	337.536224	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-2H"	-2.014552
"85932"	1353.166724	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M-H"	-1.007276
"532181"	2030.253724	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M-H"	-1.007276
"910350"	676.079724	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-H"	-1.007276
"60952"	1370.193271	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M-2H+NH4"	16.019271
"496866"	2047.280271	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M-2H+NH4"	16.019271
"872845"	693.106271	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-2H+NH4"	16.019271
"35278"	1375.148666	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M-2H+Na"	20.974666
"474839"	2052.235666	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M-2H+Na"	20.974666
"858110"	698.061666	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-2H+Na"	20.974666
"1623270"	698.061666	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Na-2H"	20.974666
"107094"	694.068063	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M-H+Cl"	33.962126
"543736"	1032.611563	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M-H+Cl"	33.962126
"935065"	355.524563	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-H+Cl"	33.962126
"281282"	1389.143402	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+Cl"	34.969402
"668232"	2066.230402	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+Cl"	34.969402
"1279541"	712.056402	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Cl"	34.969402
"25380"	1391.122606	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M-2H+K"	36.948606
"459471"	2068.209606	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M-2H+K"	36.948606
"846023"	714.035606	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-2H+K"	36.948606
"1558576"	714.035606	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+K-2H"	36.948606
"951926"	722.085194	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-H+HCOOH"	44.998194
"370143"	1399.172201	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+HCOOH-H"	44.998201
"355120"	1413.187851	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+Hac-H"	59.013851
"1499579"	736.100851	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Hac-H"	59.013851
"966028"	744.067151	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-H+NaCOOH"	66.980151
"115297"	712.056402	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+2Cl"	69.938804
"564709"	1050.599902	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+2Cl"	69.938804
"1036516"	373.512902	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2Cl"	69.938804
"1256696"	756.005885	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Br"	78.918885
"1317723"	758.061872	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Cl+HCOOH"	80.974872
"1329386"	780.043829	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Cl+NaCOOH"	102.956829
"923727"	790.072586	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M-H+CF3COOH"	112.985586
"1302257"	826.049264	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Cl+CF3COOH"	148.962264
"1374220"	642.074324	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H-2H2O"	-35.012676
"1392814"	660.0843	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H-H2O"	-17.0027
"285939"	1355.181276	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+H"	1.007276
"690394"	2032.268276	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+H"	1.007276
"1365892"	678.094276	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H"	1.007276
"137442"	678.094276	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+2H"	2.014552
"578094"	1016.637776	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+2H"	2.014552
"1051638"	339.550776	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2H"	2.014552
"213702"	452.398609333333	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+3H"	3.021828
"652168"	678.094276	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+3H"	3.021828
"1169198"	226.702942666667	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+3H"	3.021828
"435757"	1372.207823	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+NH4"	18.033823
"794565"	2049.294823	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+NH4"	18.033823
"1687614"	695.120823	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+NH4"	18.033823
"333337"	686.6075495	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+H+NH4"	19.041099
"726121"	1025.1510495	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+H+NH4"	19.041099
"1489800"	348.0640495	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H+NH4"	19.041099
"403014"	1377.163218	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+Na"	22.989218
"767289"	2054.250218	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+Na"	22.989218
"1613933"	700.076218	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Na"	22.989218
"326519"	689.085247	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+H+Na"	23.996494
"717843"	1027.628747	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+H+Na"	23.996494
"1473847"	350.541747	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H+Na"	23.996494
"1066973"	234.030256666667	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2H+Na"	25.00377
"1269865"	710.120486	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+CH3OH+H"	33.033486
"391722"	1393.137158	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+K"	38.963158
"745061"	2070.224158	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+K"	38.963158
"1542737"	716.050158	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+K"	38.963158
"302100"	697.072217	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+H+K"	39.970434
"691679"	1035.615717	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+H+K"	39.970434
"1448335"	358.528717	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H+K"	39.970434
"238396"	1396.207826	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+ACN+H"	42.033826
"1212198"	719.120826	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+ACN+H"	42.033826
"1197172"	360.064051	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+ACN+2H"	43.041102
"191867"	1399.14516	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+2Na-H"	44.97116
"642138"	2076.23216	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+2Na-H"	44.97116
"1144424"	722.05816	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2Na-H"	44.97116
"180429"	700.076218	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+2Na"	45.978436
"620716"	1038.619718	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+2Na"	45.978436
"1121673"	361.532718	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2Na"	45.978436
"1403740"	241.357570666667	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H+2Na"	46.985712
"1438043"	724.099746	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H+HCOOH"	47.012746
"228834"	705.10924	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+3H2O+2H"	56.04448
"1514706"	738.15179	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+IsoProp+H"	61.06479
"414393"	708.063188	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+Na+K"	61.952376
"775387"	1046.606688	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+Na+K"	61.952376
"1680230"	369.519688	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Na+K"	61.952376
"263710"	1418.189768	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+ACN+Na"	64.015768
"1238975"	741.102768	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+ACN+Na"	64.015768
"1727141"	741.126293	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+NH4+HCOOH"	64.039293
"1193224"	248.684884666667	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+3Na"	68.967654
"1664573"	746.081688	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Na+HCOOH"	68.994688
"171065"	1431.09304	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+2K-H"	76.91904
"608075"	2108.18004	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+2K-H"	76.91904
"1096964"	754.00604	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2K-H"	76.91904
"151959"	716.050158	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"2M+2K"	77.926316
"594072"	1054.593658	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"3M+2K"	77.926316
"1081138"	377.506658	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2K"	77.926316
"1109972"	756.020592	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2K+H"	78.933592
"1350702"	756.108207	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+DMSO+H"	79.021207
"1020933"	760.147376	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2ACN+H"	83.060376
"1537395"	761.141008	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+IsoProp+Na+H"	84.054008
"1004573"	380.577326	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+2ACN+2H"	84.067652
"1601625"	762.055628	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+K+HCOOH"	84.968628
"1429795"	792.087138	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+H+CF3COOH"	115.000138
"1161578"	401.090601	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+3ACN+2H"	125.094202
"1711859"	809.113685	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+NH4+CF3COOH"	132.026685
"1644955"	814.06908	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+Na+CF3COOH"	136.98208
"1579513"	830.04302	"C04631"	"UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvateether;UDP-N-acetylglucosamine enolpyruvate;UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine"	"C20H29N3O19P2"	"677.087"	"M+K+CF3COOH"	152.95602
"806601"	156.0423	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M"	0
"976852"	137.02391	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"63512"	103.020924	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"513403"	155.035024	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"883550"	51.006824	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"6499"	155.035024	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"451530"	233.056174	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"832136"	77.013874	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"93954"	311.077324	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"533874"	467.119624	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"909852"	155.035024	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"62042"	328.103871	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"501721"	484.146171	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"876969"	172.061571	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"45723"	333.059266	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"477142"	489.101566	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"854946"	177.016966	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1632134"	177.016966	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"107571"	173.023363	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"544946"	251.044513	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"939555"	95.002213	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"279207"	347.054002	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"674550"	503.096302	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1287198"	191.011702	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"30242"	349.033206	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"469800"	505.075506	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"847601"	192.990906	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1565254"	192.990906	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"956784"	201.040494	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"376091"	357.082801	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"359977"	371.098451	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1506619"	215.056151	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"966143"	223.022451	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"124774"	191.011702	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"560081"	269.032852	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1036535"	112.990552	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1256113"	234.961185	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1318200"	237.017172	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1334968"	258.999129	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"922743"	269.027886	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1298364"	305.004564	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1377620"	121.029624	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1394023"	139.0396	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"294801"	313.091876	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"688316"	469.134176	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1364664"	157.049576	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"138648"	157.049576	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"579912"	235.070726	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1051263"	79.028426	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"216005"	105.035476	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"654479"	157.049576	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1174786"	53.021376	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"435872"	330.118423	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"797957"	486.160723	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1692100"	174.076123	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"339299"	165.5628495	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"733907"	243.5839995	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1487728"	87.5416995	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"396564"	335.073818	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"766309"	491.116118	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1613315"	179.031518	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"323350"	168.040547	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"714677"	246.061697	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1471778"	90.019397	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1065750"	60.34869	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1271923"	189.075786	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"392561"	351.047758	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"748451"	507.090058	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1548315"	195.005458	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"307678"	176.027517	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"692444"	254.048667	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1447352"	98.006367	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"239235"	354.118426	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1210245"	198.076126	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1209177"	99.541701	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"202811"	357.05576	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"643591"	513.09806	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1145516"	201.01346	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"188328"	179.031518	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"627409"	257.052668	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1130306"	101.010368	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1413826"	67.676004	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1443624"	203.055046	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"227851"	184.06454	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1520288"	217.10709	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"423874"	187.018488	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"784750"	265.039638	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1680594"	108.997338	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"264927"	376.100368	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1240434"	220.058068	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1726154"	220.081593	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1191141"	75.003318	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1663352"	225.036988	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"171186"	389.00364	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"608198"	545.04594	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1098176"	232.96134	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"153901"	195.005458	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"596012"	273.026608	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1075787"	116.984308	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1114953"	234.975892	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1347568"	235.063507	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1012818"	239.102676	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1535315"	240.096308	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"1005564"	120.054976	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1594080"	241.010928	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1425203"	271.042438	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1157679"	140.568251	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1710510"	288.068985	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1641788"	293.02438	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1582906"	308.99832	"C04634"	"16-Dihydroxycyclohexa-24-diene-1-carboxylate;12-Dihydroxycyclohexa-35-diene-1-carboxylate"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"815463"	716.5145	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M"	0
"987904"	697.49611	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-H2O-H"	-19.01839
"77846"	476.669057333333	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M-3H"	-3.021828
"506958"	715.507224	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M-3H"	-3.021828
"893507"	237.830890666667	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-3H"	-3.021828
"15650"	715.507224	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M-2H"	-2.014552
"453715"	1073.764474	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M-2H"	-2.014552
"828358"	357.249974	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-2H"	-2.014552
"92236"	1432.021724	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M-H"	-1.007276
"532161"	2148.536224	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M-H"	-1.007276
"906803"	715.507224	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-H"	-1.007276
"55708"	1449.048271	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M-2H+NH4"	16.019271
"490893"	2165.562771	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M-2H+NH4"	16.019271
"877452"	732.533771	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-2H+NH4"	16.019271
"44991"	1454.003666	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M-2H+Na"	20.974666
"482366"	2170.518166	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M-2H+Na"	20.974666
"861261"	737.489166	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-2H+Na"	20.974666
"1626788"	737.489166	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Na-2H"	20.974666
"106234"	733.495563	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M-H+Cl"	33.962126
"545793"	1091.752813	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M-H+Cl"	33.962126
"938579"	375.238313	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-H+Cl"	33.962126
"276043"	1467.998402	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+Cl"	34.969402
"668465"	2184.512902	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+Cl"	34.969402
"1285241"	751.483902	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Cl"	34.969402
"27796"	1469.977606	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M-2H+K"	36.948606
"465169"	2186.492106	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M-2H+K"	36.948606
"845885"	753.463106	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-2H+K"	36.948606
"1566458"	753.463106	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+K-2H"	36.948606
"955436"	761.512694	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-H+HCOOH"	44.998194
"373296"	1478.027201	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+HCOOH-H"	44.998201
"354261"	1492.042851	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+Hac-H"	59.013851
"1500908"	775.528351	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Hac-H"	59.013851
"969539"	783.494651	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-H+NaCOOH"	66.980151
"120635"	751.483902	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+2Cl"	69.938804
"553634"	1109.741152	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+2Cl"	69.938804
"1026804"	393.226652	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2Cl"	69.938804
"1244199"	795.433385	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Br"	78.918885
"1312120"	797.489372	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Cl+HCOOH"	80.974872
"1326339"	819.471329	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Cl+NaCOOH"	102.956829
"915210"	829.500086	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M-H+CF3COOH"	112.985586
"1296292"	865.476764	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Cl+CF3COOH"	148.962264
"1378826"	681.501824	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H-2H2O"	-35.012676
"1394135"	699.5118	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H-H2O"	-17.0027
"289451"	1434.036276	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+H"	1.007276
"679684"	2150.550776	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+H"	1.007276
"1357124"	717.521776	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H"	1.007276
"131106"	717.521776	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+2H"	2.014552
"576138"	1075.779026	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+2H"	2.014552
"1049310"	359.264526	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2H"	2.014552
"212838"	478.683609333333	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+3H"	3.021828
"657140"	717.521776	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+3H"	3.021828
"1175994"	239.845442666667	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+3H"	3.021828
"428337"	1451.062823	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+NH4"	18.033823
"791518"	2167.577323	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+NH4"	18.033823
"1683838"	734.548323	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+NH4"	18.033823
"332843"	726.0350495	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+H+NH4"	19.041099
"726361"	1084.2922995	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+H+NH4"	19.041099
"1481274"	367.7777995	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H+NH4"	19.041099
"396675"	1456.018218	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+Na"	22.989218
"764231"	2172.532718	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+Na"	22.989218
"1609048"	739.503718	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Na"	22.989218
"323458"	728.512747	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+H+Na"	23.996494
"716975"	1086.769997	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+H+Na"	23.996494
"1470796"	370.255497	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H+Na"	23.996494
"1065135"	247.172756666667	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2H+Na"	25.00377
"1270094"	749.547986	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+CH3OH+H"	33.033486
"391944"	1471.992158	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+K"	38.963158
"752939"	2188.506658	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+K"	38.963158
"1546243"	755.477658	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+K"	38.963158
"306698"	736.499717	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+H+K"	39.970434
"706659"	1094.756967	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+H+K"	39.970434
"1458788"	378.242467	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H+K"	39.970434
"248119"	1475.062826	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+ACN+H"	42.033826
"1222287"	758.548326	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+ACN+H"	42.033826
"1202526"	379.777801	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+ACN+2H"	43.041102
"197586"	1478.00016	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+2Na-H"	44.97116
"640061"	2194.51466	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+2Na-H"	44.97116
"1143931"	761.48566	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2Na-H"	44.97116
"182846"	739.503718	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+2Na"	45.978436
"627515"	1097.760968	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+2Na"	45.978436
"1130295"	381.246468	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2Na"	45.978436
"1412119"	254.500070666667	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H+2Na"	46.985712
"1442284"	763.527246	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H+HCOOH"	47.012746
"234171"	744.53674	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+3H2O+2H"	56.04448
"1521995"	777.57929	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+IsoProp+H"	61.06479
"422649"	747.490688	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+Na+K"	61.952376
"781095"	1105.747938	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+Na+K"	61.952376
"1677062"	389.233438	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Na+K"	61.952376
"264313"	1497.044768	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+ACN+Na"	64.015768
"1234471"	780.530268	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+ACN+Na"	64.015768
"1724451"	780.553793	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+NH4+HCOOH"	64.039293
"1182151"	261.827384666667	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+3Na"	68.967654
"1657509"	785.509188	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Na+HCOOH"	68.994688
"162185"	1509.94804	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+2K-H"	76.91904
"599559"	2226.46254	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+2K-H"	76.91904
"1085407"	793.43354	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2K-H"	76.91904
"145261"	755.477658	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"2M+2K"	77.926316
"582753"	1113.734908	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"3M+2K"	77.926316
"1069693"	397.220408	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2K"	77.926316
"1100147"	795.448092	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2K+H"	78.933592
"1344393"	795.535707	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+DMSO+H"	79.021207
"1006843"	799.574876	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2ACN+H"	83.060376
"1529953"	800.568508	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+IsoProp+Na+H"	84.054008
"990364"	400.291076	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+2ACN+2H"	84.067652
"1593091"	801.483128	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+K+HCOOH"	84.968628
"1422031"	831.514638	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+H+CF3COOH"	115.000138
"1156694"	420.804351	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+3ACN+2H"	125.094202
"1699683"	848.541185	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+NH4+CF3COOH"	132.026685
"1635703"	853.49658	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+Na+CF3COOH"	136.98208
"1571394"	869.47052	"C04638"	"23-Bis-O-(geranylgeranyl)glycerol 1-phosphate;23-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate;23-Digeranylgeranyl sn-glycerol 1-phosphate"	"C43H73O6P"	"716.5145"	"M+K+CF3COOH"	152.95602
"815937"	326.0515	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M"	0
"988378"	307.03311	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-H2O-H"	-19.01839
"75161"	216.360390666667	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M-3H"	-3.021828
"504881"	325.044224	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M-3H"	-3.021828
"893981"	107.676557333333	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-3H"	-3.021828
"14993"	325.044224	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M-2H"	-2.014552
"454432"	488.069974	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M-2H"	-2.014552
"828469"	162.018474	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-2H"	-2.014552
"89550"	651.095724	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M-H"	-1.007276
"533000"	977.147224	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M-H"	-1.007276
"910316"	325.044224	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-H"	-1.007276
"53632"	668.122271	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M-2H+NH4"	16.019271
"489910"	994.173771	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M-2H+NH4"	16.019271
"877198"	342.070771	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-2H+NH4"	16.019271
"44371"	673.077666	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M-2H+Na"	20.974666
"483932"	999.129166	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M-2H+Na"	20.974666
"860641"	347.026166	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-2H+Na"	20.974666
"1629083"	347.026166	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Na-2H"	20.974666
"102333"	343.032563	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M-H+Cl"	33.962126
"539706"	506.058313	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M-H+Cl"	33.962126
"937596"	180.006813	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-H+Cl"	33.962126
"279069"	687.072402	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+Cl"	34.969402
"672221"	1013.123902	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+Cl"	34.969402
"1285353"	361.020902	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Cl"	34.969402
"30093"	689.051606	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M-2H+K"	36.948606
"471112"	1015.103106	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M-2H+K"	36.948606
"845266"	363.000106	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-2H+K"	36.948606
"1570579"	363.000106	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+K-2H"	36.948606
"955547"	371.049694	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-H+HCOOH"	44.998194
"373767"	697.101201	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+HCOOH-H"	44.998201
"355465"	711.116851	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+Hac-H"	59.013851
"1503204"	385.065351	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Hac-H"	59.013851
"969649"	393.031651	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-H+NaCOOH"	66.980151
"120747"	361.020902	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+2Cl"	69.938804
"558119"	524.046652	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+2Cl"	69.938804
"1026917"	197.995152	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2Cl"	69.938804
"1249777"	404.970385	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Br"	78.918885
"1314417"	407.026372	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Cl+HCOOH"	80.974872
"1324991"	429.008329	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Cl+NaCOOH"	102.956829
"917872"	439.037086	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M-H+CF3COOH"	112.985586
"1298589"	475.013764	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Cl+CF3COOH"	148.962264
"1376752"	291.038824	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H-2H2O"	-35.012676
"1390966"	309.0488	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H-H2O"	-17.0027
"292839"	653.110276	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+H"	1.007276
"680158"	979.161776	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+H"	1.007276
"1356141"	327.058776	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H"	1.007276
"131217"	327.058776	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+2H"	2.014552
"574061"	490.084526	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+2H"	2.014552
"1048328"	164.033026	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2H"	2.014552
"217324"	218.374942666667	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+3H"	3.021828
"656887"	327.058776	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+3H"	3.021828
"1177688"	109.691109333333	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+3H"	3.021828
"429540"	670.136823	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+NH4"	18.033823
"792722"	996.188323	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+NH4"	18.033823
"1684313"	344.085323	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+NH4"	18.033823
"332593"	335.5720495	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+H+NH4"	19.041099
"729752"	498.5977995	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+H+NH4"	19.041099
"1480655"	172.5462995	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H+NH4"	19.041099
"397878"	675.092218	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+Na"	22.989218
"762157"	1001.143718	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+Na"	22.989218
"1608064"	349.040718	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Na"	22.989218
"321382"	338.049747	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+H+Na"	23.996494
"713804"	501.075497	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+H+Na"	23.996494
"1466532"	175.023997	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H+Na"	23.996494
"1064152"	117.018423333333	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2H+Na"	25.00377
"1269837"	359.084986	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+CH3OH+H"	33.033486
"387681"	691.066158	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+K"	38.963158
"750497"	1017.117658	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+K"	38.963158
"1549633"	365.014658	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+K"	38.963158
"302435"	346.036717	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+H+K"	39.970434
"704339"	509.062467	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+H+K"	39.970434
"1456343"	183.010967	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H+K"	39.970434
"250778"	694.136826	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+ACN+H"	42.033826
"1224822"	368.085326	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+ACN+H"	42.033826
"1208096"	184.546301	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+ACN+2H"	43.041102
"197691"	697.07416	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+2Na-H"	44.97116
"638346"	1023.12566	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+2Na-H"	44.97116
"1140760"	371.02266	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2Na-H"	44.97116
"187702"	349.040718	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+2Na"	45.978436
"628069"	512.066468	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+2Na"	45.978436
"1131005"	186.014968	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2Na"	45.978436
"1413925"	124.345737333333	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H+2Na"	46.985712
"1442394"	373.064246	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H+HCOOH"	47.012746
"234893"	354.07374	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+3H2O+2H"	56.04448
"1523077"	387.11629	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+IsoProp+H"	61.06479
"422032"	357.027688	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+Na+K"	61.952376
"782300"	520.053438	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+Na+K"	61.952376
"1677537"	194.001938	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Na+K"	61.952376
"266244"	716.118768	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+ACN+Na"	64.015768
"1236767"	390.067268	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+ACN+Na"	64.015768
"1725653"	390.090793	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+NH4+HCOOH"	64.039293
"1182260"	131.673051333333	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+3Na"	68.967654
"1659809"	395.046188	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Na+HCOOH"	68.994688
"165574"	729.02204	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+2K-H"	76.91904
"602949"	1055.07354	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+2K-H"	76.91904
"1086369"	402.97054	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2K-H"	76.91904
"143548"	365.014658	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"2M+2K"	77.926316
"586022"	528.040408	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"3M+2K"	77.926316
"1070534"	201.988908	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2K"	77.926316
"1100340"	404.985092	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2K+H"	78.933592
"1339035"	405.072707	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+DMSO+H"	79.021207
"1006474"	409.111876	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2ACN+H"	83.060376
"1526784"	410.105508	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+IsoProp+Na+H"	84.054008
"993232"	205.059576	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+2ACN+2H"	84.067652
"1593202"	411.020128	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+K+HCOOH"	84.968628
"1417771"	441.051638	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+H+CF3COOH"	115.000138
"1151338"	225.572851	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+3ACN+2H"	125.094202
"1699798"	458.078185	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+NH4+CF3COOH"	132.026685
"1635084"	463.03358	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+Na+CF3COOH"	136.98208
"1572193"	479.00752	"C04639"	"24-Dioxotetrahydropyrimidine D-ribonucleotide"	"C9H15N2O9P"	"326.0515"	"M+K+CF3COOH"	152.95602
"817034"	313.0675	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M"	0
"989545"	294.04911	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-H2O-H"	-19.01839
"78111"	207.704390666667	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M-3H"	-3.021828
"513737"	312.060224	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M-3H"	-3.021828
"890445"	103.348557333333	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-3H"	-3.021828
"14858"	312.060224	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M-2H"	-2.014552
"454420"	468.593974	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M-2H"	-2.014552
"830401"	155.526474	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-2H"	-2.014552
"93307"	625.127724	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M-H"	-1.007276
"533598"	938.195224	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M-H"	-1.007276
"910549"	312.060224	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-H"	-1.007276
"59938"	642.154271	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M-2H+NH4"	16.019271
"492207"	955.221771	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M-2H+NH4"	16.019271
"877550"	329.086771	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-2H+NH4"	16.019271
"45574"	647.109666	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M-2H+Na"	20.974666
"482946"	960.177166	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M-2H+Na"	20.974666
"863305"	334.042166	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-2H+Na"	20.974666
"1632475"	334.042166	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Na-2H"	20.974666
"109250"	330.048563	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M-H+Cl"	33.962126
"543097"	486.582313	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M-H+Cl"	33.962126
"939893"	173.514813	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-H+Cl"	33.962126
"280274"	661.104402	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+Cl"	34.969402
"673668"	974.171902	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+Cl"	34.969402
"1286437"	348.036902	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Cl"	34.969402
"30203"	663.083606	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M-2H+K"	36.948606
"471266"	976.151106	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M-2H+K"	36.948606
"845376"	350.016106	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-2H+K"	36.948606
"1570325"	350.016106	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+K-2H"	36.948606
"957764"	358.065694	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-H+HCOOH"	44.998194
"376472"	671.133201	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+HCOOH-H"	44.998201
"357761"	685.148851	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+Hac-H"	59.013851
"1504407"	372.081351	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Hac-H"	59.013851
"973039"	380.047651	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-H+NaCOOH"	66.980151
"121950"	348.036902	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+2Cl"	69.938804
"561509"	504.570652	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+2Cl"	69.938804
"1032494"	191.503152	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2Cl"	69.938804
"1249887"	391.986385	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Br"	78.918885
"1311247"	394.042372	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Cl+HCOOH"	80.974872
"1329842"	416.024329	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Cl+NaCOOH"	102.956829
"923449"	426.053086	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M-H+CF3COOH"	112.985586
"1299794"	462.029764	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Cl+CF3COOH"	148.962264
"1379049"	278.054824	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H-2H2O"	-35.012676
"1396542"	296.0648	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H-H2O"	-17.0027
"297929"	627.142276	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+H"	1.007276
"684278"	940.209776	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+H"	1.007276
"1357344"	314.074776	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H"	1.007276
"131327"	314.074776	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+2H"	2.014552
"575264"	470.608526	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+2H"	2.014552
"1049530"	157.541026	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2H"	2.014552
"218530"	209.718942666667	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+3H"	3.021828
"659467"	314.074776	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+3H"	3.021828
"1177960"	105.363109333333	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+3H"	3.021828
"432929"	644.168823	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+NH4"	18.033823
"793925"	957.236323	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+NH4"	18.033823
"1686975"	331.101323	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+NH4"	18.033823
"335254"	322.5880495	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+H+NH4"	19.041099
"730956"	479.1217995	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+H+NH4"	19.041099
"1483682"	166.0542995	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H+NH4"	19.041099
"399083"	649.124218	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+Na"	22.989218
"767370"	962.191718	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+Na"	22.989218
"1609267"	336.056718	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Na"	22.989218
"323679"	325.065747	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+H+Na"	23.996494
"717195"	481.599497	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+H+Na"	23.996494
"1472109"	168.531997	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H+Na"	23.996494
"1064265"	112.690423333333	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2H+Na"	25.00377
"1269949"	346.100986	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+CH3OH+H"	33.033486
"391070"	665.098158	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+K"	38.963158
"753159"	978.165658	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+K"	38.963158
"1549743"	352.030658	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+K"	38.963158
"302545"	333.052717	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+H+K"	39.970434
"706271"	489.586467	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+H+K"	39.970434
"1458640"	176.518967	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H+K"	39.970434
"250038"	668.168826	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+ACN+H"	42.033826
"1223839"	355.101326	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+ACN+H"	42.033826
"1204926"	178.054301	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+ACN+2H"	43.041102
"198895"	671.10616	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+2Na-H"	44.97116
"638456"	984.17366	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+2Na-H"	44.97116
"1145244"	358.03866	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2Na-H"	44.97116
"180879"	336.056718	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+2Na"	45.978436
"623719"	492.590468	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+2Na"	45.978436
"1129411"	179.522968	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2Na"	45.978436
"1414064"	120.017737333333	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H+2Na"	46.985712
"1445055"	360.080246	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H+HCOOH"	47.012746
"235126"	341.08974	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+3H2O+2H"	56.04448
"1523306"	374.13229	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+IsoProp+H"	61.06479
"421414"	344.043688	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+Na+K"	61.952376
"784596"	500.577438	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+Na+K"	61.952376
"1677651"	187.509938	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Na+K"	61.952376
"263805"	690.150768	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+ACN+Na"	64.015768
"1238702"	377.083268	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+ACN+Na"	64.015768
"1724672"	377.106793	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+NH4+HCOOH"	64.039293
"1186744"	127.345051333333	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+3Na"	68.967654
"1663200"	382.062188	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Na+HCOOH"	68.994688
"166781"	703.05404	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+2K-H"	76.91904
"600873"	1016.12154	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+2K-H"	76.91904
"1087936"	389.98654	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2K-H"	76.91904
"147668"	352.030658	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"2M+2K"	77.926316
"587225"	508.564408	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"3M+2K"	77.926316
"1070644"	195.496908	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2K"	77.926316
"1101176"	392.001092	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2K+H"	78.933592
"1339147"	392.088707	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+DMSO+H"	79.021207
"1008769"	396.127876	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2ACN+H"	83.060376
"1527989"	397.121508	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+IsoProp+Na+H"	84.054008
"995530"	198.567576	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+2ACN+2H"	84.067652
"1593312"	398.036128	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+K+HCOOH"	84.968628
"1421161"	428.067638	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+H+CF3COOH"	115.000138
"1152541"	219.080851	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+3ACN+2H"	125.094202
"1699904"	445.094185	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+NH4+CF3COOH"	132.026685
"1637746"	450.04958	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+Na+CF3COOH"	136.98208
"1572667"	466.02352	"C04640"	"2-(Formamido)-N1-(5-phosphoribosyl)acetamidine;1-(5-Phosphoribosyl)-N-formylglycinamidine;5-Phosphoribosyl-N-formylglycinamidine;5-Phosphoribosylformylglycinamidine;2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine"	"C8H16N3O8P"	"313.0675"	"M+K+CF3COOH"	152.95602
"814335"	334.0665	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M"	0
"987871"	315.04811	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H2O-H"	-19.01839
"75381"	221.703724	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-3H"	-3.021828
"513847"	333.059224	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-3H"	-3.021828
"885089"	110.348224	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-3H"	-3.021828
"13146"	333.059224	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H"	-2.014552
"451977"	500.092474	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H"	-2.014552
"829782"	166.025974	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H"	-2.014552
"92688"	667.125724	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-H"	-1.007276
"532736"	1001.192224	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-H"	-1.007276
"909566"	333.059224	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H"	-1.007276
"56041"	684.152271	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+NH4"	16.019271
"493410"	1018.218771	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+NH4"	16.019271
"873408"	350.085771	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+NH4"	16.019271
"33287"	689.107666	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+Na"	20.974666
"484152"	1023.174166	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+Na"	20.974666
"863049"	355.041166	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+Na"	20.974666
"1631492"	355.041166	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na-2H"	20.974666
"106928"	351.047563	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-H+Cl"	33.962126
"547580"	518.080813	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-H+Cl"	33.962126
"941098"	184.014313	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+Cl"	33.962126
"282654"	703.102402	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Cl"	34.969402
"672804"	1037.168902	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Cl"	34.969402
"1287152"	369.035902	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl"	34.969402
"29223"	705.081606	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+K"	36.948606
"469878"	1039.148106	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+K"	36.948606
"847434"	371.015106	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+K"	36.948606
"1569953"	371.015106	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K-2H"	36.948606
"956862"	379.064694	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+HCOOH"	44.998194
"371802"	713.131201	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+HCOOH-H"	44.998201
"355685"	727.146851	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Hac-H"	59.013851
"1499051"	393.080351	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Hac-H"	59.013851
"964403"	401.046651	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+NaCOOH"	66.980151
"117686"	369.035902	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Cl"	69.938804
"556153"	536.069152	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Cl"	69.938804
"1030419"	202.002652	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Cl"	69.938804
"1251092"	412.985385	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Br"	78.918885
"1309170"	415.041372	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+HCOOH"	80.974872
"1329951"	437.023329	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+NaCOOH"	102.956829
"921007"	447.052086	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+CF3COOH"	112.985586
"1298810"	483.028764	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+CF3COOH"	148.962264
"1378431"	299.053824	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H-2H2O"	-35.012676
"1391187"	317.0638	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H-H2O"	-17.0027
"294152"	669.140276	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H"	1.007276
"686576"	1003.206776	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H"	1.007276
"1362924"	335.073776	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H"	1.007276
"135812"	335.073776	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2H"	2.014552
"576836"	502.107026	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2H"	2.014552
"1048186"	168.040526	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2H"	2.014552
"215360"	223.718276	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+3H"	3.021828
"656378"	335.073776	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+3H"	3.021828
"1175231"	112.362776	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3H"	3.021828
"429760"	686.166823	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+NH4"	18.033823
"792944"	1020.233323	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+NH4"	18.033823
"1684170"	352.100323	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4"	18.033823
"333177"	343.5870495	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+NH4"	19.041099
"725964"	510.6202995	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+NH4"	19.041099
"1481605"	176.5537995	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+NH4"	19.041099
"396640"	691.122218	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Na"	22.989218
"761279"	1025.188718	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Na"	22.989218
"1608283"	357.055718	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na"	22.989218
"319416"	346.064747	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+Na"	23.996494
"714025"	513.097997	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+Na"	23.996494
"1468937"	179.031497	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+Na"	23.996494
"1061091"	119.69009	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2H+Na"	25.00377
"1267507"	367.099986	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+CH3OH+H"	33.033486
"390452"	707.096158	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+K"	38.963158
"750716"	1041.162658	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+K"	38.963158
"1544384"	373.029658	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K"	38.963158
"299042"	354.051717	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+K"	39.970434
"703464"	521.084967	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+K"	39.970434
"1459842"	187.018467	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+K"	39.970434
"250756"	710.166826	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+ACN+H"	42.033826
"1224799"	376.100326	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+H"	42.033826
"1205036"	188.553801	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+2H"	43.041102
"196818"	713.10416	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Na-H"	44.97116
"637474"	1047.17066	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Na-H"	44.97116
"1143168"	379.03766	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Na-H"	44.97116
"179896"	357.055718	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Na"	45.978436
"627109"	524.088968	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Na"	45.978436
"1130779"	190.022468	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Na"	45.978436
"1413982"	127.017404	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+2Na"	46.985712
"1442978"	381.079246	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+HCOOH"	47.012746
"235588"	362.08874	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+3H2O+2H"	56.04448
"1523779"	395.13129	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+IsoProp+H"	61.06479
"422619"	365.042688	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Na+K"	61.952376
"783611"	532.075938	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Na+K"	61.952376
"1678848"	198.009438	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+K"	61.952376
"266343"	732.148768	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+ACN+Na"	64.015768
"1236992"	398.082268	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+Na"	64.015768
"1725877"	398.105793	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4+HCOOH"	64.039293
"1185763"	134.344718	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3Na"	68.967654
"1663310"	403.061188	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+HCOOH"	68.994688
"167985"	745.05204	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2K-H"	76.91904
"603168"	1079.11854	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2K-H"	76.91904
"1089868"	410.98554	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K-H"	76.91904
"146683"	373.029658	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2K"	77.926316
"586243"	540.062908	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2K"	77.926316
"1071849"	205.996408	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K"	77.926316
"1101776"	413.000092	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K+H"	78.933592
"1342538"	413.087707	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+DMSO+H"	79.021207
"1008879"	417.126876	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2ACN+H"	83.060376
"1530286"	418.120508	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+IsoProp+Na+H"	84.054008
"995640"	209.067076	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2ACN+2H"	84.067652
"1593422"	419.035128	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K+HCOOH"	84.968628
"1420179"	449.066638	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+CF3COOH"	115.000138
"1150467"	229.580351	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3ACN+2H"	125.094202
"1700015"	466.093185	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4+CF3COOH"	132.026685
"1637856"	471.04858	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+CF3COOH"	136.98208
"1576788"	487.02252	"C04641"	"2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K+CF3COOH"	152.95602
"814809"	200.0321	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M"	0
"989198"	181.01371	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-H2O-H"	-19.01839
"76583"	132.347457333333	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M-3H"	-3.021828
"510678"	199.024824	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M-3H"	-3.021828
"886292"	65.6700906666667	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-3H"	-3.021828
"13865"	199.024824	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M-2H"	-2.014552
"453668"	299.040874	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M-2H"	-2.014552
"830619"	99.008774	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-2H"	-2.014552
"92435"	399.056924	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M-H"	-1.007276
"533334"	599.089024	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M-H"	-1.007276
"907247"	199.024824	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-H"	-1.007276
"57245"	416.083471	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M-2H+NH4"	16.019271
"492062"	616.115571	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M-2H+NH4"	16.019271
"870236"	216.051371	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-2H+NH4"	16.019271
"36315"	421.038866	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M-2H+Na"	20.974666
"484262"	621.070966	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M-2H+Na"	20.974666
"863160"	221.006766	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-2H+Na"	20.974666
"1631236"	221.006766	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Na-2H"	20.974666
"107036"	217.013163	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M-H+Cl"	33.962126
"548783"	317.029213	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M-H+Cl"	33.962126
"940111"	116.997113	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-H+Cl"	33.962126
"281219"	435.033602	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+Cl"	34.969402
"674368"	635.065702	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+Cl"	34.969402
"1286773"	235.001502	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Cl"	34.969402
"29333"	437.012806	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M-2H+K"	36.948606
"467797"	637.044906	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M-2H+K"	36.948606
"844504"	236.980706	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-2H+K"	36.948606
"1570546"	236.980706	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+K-2H"	36.948606
"957336"	245.030294	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-H+HCOOH"	44.998194
"370820"	445.062401	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+HCOOH-H"	44.998201
"357617"	459.078051	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+Hac-H"	59.013851
"1500257"	259.045951	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Hac-H"	59.013851
"964513"	267.012251	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-H+NaCOOH"	66.980151
"118889"	235.001502	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+2Cl"	69.938804
"558449"	335.017552	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+2Cl"	69.938804
"1029435"	134.985452	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2Cl"	69.938804
"1247922"	278.950985	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Br"	78.918885
"1312560"	281.006972	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Cl+HCOOH"	80.974872
"1326049"	302.988929	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Cl+NaCOOH"	102.956829
"922212"	313.017686	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M-H+CF3COOH"	112.985586
"1298918"	348.994364	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Cl+CF3COOH"	148.962264
"1375988"	165.019424	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H-2H2O"	-35.012676
"1391297"	183.0294	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H-H2O"	-17.0027
"294263"	401.071476	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+H"	1.007276
"687415"	601.103576	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+H"	1.007276
"1361942"	201.039376	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H"	1.007276
"134830"	201.039376	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+2H"	2.014552
"576579"	301.055426	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+2H"	2.014552
"1046473"	101.023326	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2H"	2.014552
"215468"	134.362009333333	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+3H"	3.021828
"657946"	201.039376	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+3H"	3.021828
"1174247"	67.6846426666667	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+3H"	3.021828
"433150"	418.098023	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+NH4"	18.033823
"794147"	618.130123	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+NH4"	18.033823
"1686105"	218.065923	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+NH4"	18.033823
"335476"	209.5526495	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+H+NH4"	19.041099
"726804"	309.5686995	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+H+NH4"	19.041099
"1483903"	109.5365995	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H+NH4"	19.041099
"399302"	423.053418	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+Na"	22.989218
"760298"	623.085518	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+Na"	22.989218
"1608393"	223.021318	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Na"	22.989218
"321713"	212.030347	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+H+Na"	23.996494
"717052"	312.046397	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+H+Na"	23.996494
"1471964"	112.014297	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H+Na"	23.996494
"1063024"	75.0119566666667	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2H+Na"	25.00377
"1267617"	233.065586	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+CH3OH+H"	33.033486
"390196"	439.027358	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+K"	38.963158
"747910"	639.059458	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+K"	38.963158
"1544494"	238.995258	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+K"	38.963158
"298800"	220.017317	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+H+K"	39.970434
"696281"	320.033367	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+H+K"	39.970434
"1461050"	120.001267	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H+K"	39.970434
"250381"	442.098026	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+ACN+H"	42.033826
"1222358"	242.065926	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+ACN+H"	42.033826
"1205147"	121.536601	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+ACN+2H"	43.041102
"194742"	445.03536	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+2Na-H"	44.97116
"636491"	645.06746	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+2Na-H"	44.97116
"1143278"	245.00326	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2Na-H"	44.97116
"180006"	223.021318	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+2Na"	45.978436
"623939"	323.037368	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+2Na"	45.978436
"1127447"	123.005268	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2Na"	45.978436
"1412429"	82.3392706666667	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H+2Na"	46.985712
"1441996"	247.044846	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H+HCOOH"	47.012746
"235563"	228.05434	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+3H2O+2H"	56.04448
"1523849"	261.09689	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+IsoProp+H"	61.06479
"423821"	231.008288	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+Na+K"	61.952376
"783357"	331.024338	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+Na+K"	61.952376
"1676772"	130.992238	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Na+K"	61.952376
"266818"	464.079968	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+ACN+Na"	64.015768
"1241232"	264.047868	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+ACN+Na"	64.015768
"1728398"	264.071393	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+NH4+HCOOH"	64.039293
"1190247"	89.6665846666667	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+3Na"	68.967654
"1664513"	269.026788	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Na+HCOOH"	68.994688
"170283"	476.98324	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+2K-H"	76.91904
"603279"	677.01534	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+2K-H"	76.91904
"1089981"	276.95114	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2K-H"	76.91904
"145702"	238.995258	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"2M+2K"	77.926316
"585259"	339.011308	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"3M+2K"	77.926316
"1070865"	138.979208	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2K"	77.926316
"1102251"	278.965692	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2K+H"	78.933592
"1345928"	279.053307	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+DMSO+H"	79.021207
"1009353"	283.092476	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2ACN+H"	83.060376
"1530396"	284.086108	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+IsoProp+Na+H"	84.054008
"995750"	142.049876	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+2ACN+2H"	84.067652
"1594625"	285.000728	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+K+HCOOH"	84.968628
"1423571"	315.032238	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+H+CF3COOH"	115.000138
"1153859"	162.563151	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+3ACN+2H"	125.094202
"1702315"	332.058785	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+NH4+CF3COOH"	132.026685
"1643434"	337.01418	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+Na+CF3COOH"	136.98208
"1576898"	352.98812	"C04642"	"2-Hydroxy-5-carboxymethylmuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconate semialdehyde;5-Carboxymethyl-2-hydroxymuconic semialdehyde"	"C8H8O6"	"200.0321"	"M+K+CF3COOH"	152.95602
"813826"	406.2719	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M"	0
"985172"	387.25351	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H2O-H"	-19.01839
"75600"	269.840657333333	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-3H"	-3.021828
"514068"	405.264624	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-3H"	-3.021828
"885309"	134.416690666667	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-3H"	-3.021828
"14821"	405.264624	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H"	-2.014552
"453289"	608.400574	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H"	-2.014552
"831461"	202.128674	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H"	-2.014552
"92544"	811.536524	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-H"	-1.007276
"531013"	1217.808424	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-H"	-1.007276
"909057"	405.264624	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H"	-1.007276
"58448"	828.563071	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H+NH4"	16.019271
"489987"	1234.834971	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H+NH4"	16.019271
"868520"	422.291171	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H+NH4"	16.019271
"36425"	833.518466	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H+Na"	20.974666
"484859"	1239.790366	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H+Na"	20.974666
"861448"	427.246566	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H+Na"	20.974666
"1630617"	427.246566	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na-2H"	20.974666
"104960"	423.252963	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-H+Cl"	33.962126
"546707"	626.388913	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-H+Cl"	33.962126
"941193"	220.117013	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+Cl"	33.962126
"281939"	847.513202	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Cl"	34.969402
"674236"	1253.785102	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+Cl"	34.969402
"1285789"	441.241302	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl"	34.969402
"27256"	849.492406	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M-2H+K"	36.948606
"467909"	1255.764306	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M-2H+K"	36.948606
"846925"	443.220506	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-2H+K"	36.948606
"1565921"	443.220506	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K-2H"	36.948606
"953437"	451.270094	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+HCOOH"	44.998194
"368741"	857.542001	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+HCOOH-H"	44.998201
"354811"	871.557651	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Hac-H"	59.013851
"1495989"	465.285751	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Hac-H"	59.013851
"963530"	473.252051	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+NaCOOH"	66.980151
"114626"	441.241302	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2Cl"	69.938804
"554186"	644.377252	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2Cl"	69.938804
"1026265"	238.105352	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2Cl"	69.938804
"1246937"	485.190785	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Br"	78.918885
"1309390"	487.246772	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl+HCOOH"	80.974872
"1323243"	509.228729	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl+NaCOOH"	102.956829
"919041"	519.257486	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M-H+CF3COOH"	112.985586
"1294656"	555.234164	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Cl+CF3COOH"	148.962264
"1370995"	371.259224	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H-2H2O"	-35.012676
"1387035"	389.2692	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H-H2O"	-17.0027
"291092"	813.551076	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H"	1.007276
"682419"	1219.822976	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H"	1.007276
"1359866"	407.279176	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H"	1.007276
"131661"	407.279176	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2H"	2.014552
"578151"	610.415126	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2H"	2.014552
"1045490"	204.143226	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2H"	2.014552
"217765"	271.855209333333	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+3H"	3.021828
"658419"	407.279176	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+3H"	3.021828
"1174357"	136.431242666667	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+3H"	3.021828
"433260"	830.577623	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+NH4"	18.033823
"793164"	1236.849523	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+NH4"	18.033823
"1685122"	424.305723	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+NH4"	18.033823
"336680"	415.7924495	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H+NH4"	19.041099
"730195"	618.9283995	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H+NH4"	19.041099
"1488389"	212.6564995	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+NH4"	19.041099
"400508"	835.533018	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Na"	22.989218
"761503"	1241.804918	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+Na"	22.989218
"1608504"	429.261118	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na"	22.989218
"322917"	418.270147	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H+Na"	23.996494
"716799"	621.406097	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H+Na"	23.996494
"1471709"	215.134197	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+Na"	23.996494
"1062771"	143.758556666667	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2H+Na"	25.00377
"1268456"	439.305386	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+CH3OH+H"	33.033486
"388485"	851.506958	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+K"	38.963158
"748020"	1257.778858	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+K"	38.963158
"1545697"	445.235058	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K"	38.963158
"300684"	426.257117	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+H+K"	39.970434
"696391"	629.393067	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+H+K"	39.970434
"1460555"	223.121167	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+K"	39.970434
"250733"	854.577626	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+ACN+H"	42.033826
"1222834"	448.305726	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+ACN+H"	42.033826
"1205257"	224.656501	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+ACN+2H"	43.041102
"198132"	857.51496	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2Na-H"	44.97116
"639881"	1263.78686	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2Na-H"	44.97116
"1143753"	451.24306	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2Na-H"	44.97116
"184491"	429.261118	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2Na"	45.978436
"624053"	632.397068	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2Na"	45.978436
"1127190"	226.125168	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2Na"	45.978436
"1412903"	151.085870666667	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+2Na"	46.985712
"1442106"	453.284646	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+HCOOH"	47.012746
"235331"	434.29414	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+3H2O+2H"	56.04448
"1522058"	467.33669	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+IsoProp+H"	61.06479
"422475"	437.248088	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+Na+K"	61.952376
"784561"	640.384038	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+Na+K"	61.952376
"1677611"	234.112138	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na+K"	61.952376
"266441"	876.559568	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+ACN+Na"	64.015768
"1239397"	470.287668	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+ACN+Na"	64.015768
"1727876"	470.311193	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+NH4+HCOOH"	64.039293
"1190357"	158.413184666667	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+3Na"	68.967654
"1663531"	475.266588	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na+HCOOH"	68.994688
"171486"	889.46284	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2K-H"	76.91904
"603389"	1295.73474	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2K-H"	76.91904
"1091181"	483.19094	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2K-H"	76.91904
"145814"	445.235058	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"2M+2K"	77.926316
"585368"	648.371008	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"3M+2K"	77.926316
"1070246"	242.099108	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2K"	77.926316
"1103091"	485.205492	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2K+H"	78.933592
"1346040"	485.293107	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+DMSO+H"	79.021207
"1007641"	489.332276	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2ACN+H"	83.060376
"1532693"	490.325908	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+IsoProp+Na+H"	84.054008
"995860"	245.169776	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+2ACN+2H"	84.067652
"1594738"	491.240528	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K+HCOOH"	84.968628
"1422588"	521.272038	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+H+CF3COOH"	115.000138
"1155063"	265.683051	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+3ACN+2H"	125.094202
"1707894"	538.298585	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+NH4+CF3COOH"	132.026685
"1643544"	543.25398	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+Na+CF3COOH"	136.98208
"1577008"	559.22792	"C04643"	"3alpha12alpha-Dihydroxy-7-oxo-5beta-cholanate"	"C24H38O5"	"406.2719"	"M+K+CF3COOH"	152.95602
"815030"	1183.4443	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M"	0
"987469"	1164.42591	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H2O-H"	-19.01839
"76803"	787.955590666667	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-3H"	-3.021828
"514178"	1182.437024	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-3H"	-3.021828
"891979"	393.474157333333	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-3H"	-3.021828
"14931"	1182.437024	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H"	-2.014552
"455425"	1774.159174	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H"	-2.014552
"832463"	590.714874	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H"	-2.014552
"93507"	2365.881324	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-H"	-1.007276
"533190"	3549.325624	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-H"	-1.007276
"909654"	1182.437024	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H"	-1.007276
"62367"	2382.907871	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+NH4"	16.019271
"492650"	3566.352171	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+NH4"	16.019271
"867901"	1199.463571	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+NH4"	16.019271
"37264"	2387.863266	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+Na"	20.974666
"477188"	3571.307566	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+Na"	20.974666
"859002"	1204.418966	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+Na"	20.974666
"1633525"	1204.418966	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na-2H"	20.974666
"106165"	1200.425363	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-H+Cl"	33.962126
"549454"	1792.147513	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-H+Cl"	33.962126
"941180"	608.703213	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+Cl"	33.962126
"281808"	2401.858002	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Cl"	34.969402
"674467"	3585.302302	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Cl"	34.969402
"1286993"	1218.413702	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl"	34.969402
"27368"	2403.837206	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+K"	36.948606
"470572"	3587.281506	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+K"	36.948606
"846912"	1220.392906	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+K"	36.948606
"1564937"	1220.392906	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K-2H"	36.948606
"955734"	1228.442494	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+HCOOH"	44.998194
"372131"	2411.886801	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+HCOOH-H"	44.998201
"353827"	2425.902451	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Hac-H"	59.013851
"1505945"	1242.458151	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Hac-H"	59.013851
"968015"	1250.424451	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+NaCOOH"	66.980151
"118017"	1218.413702	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Cl"	69.938804
"560857"	1810.135852	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Cl"	69.938804
"1032936"	626.691552	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Cl"	69.938804
"1244861"	1262.363185	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Br"	78.918885
"1317884"	1264.419172	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+HCOOH"	80.974872
"1331738"	1286.401129	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+NaCOOH"	102.956829
"920248"	1296.429886	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+CF3COOH"	112.985586
"1299142"	1332.406564	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+CF3COOH"	148.962264
"1378397"	1148.431624	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H-2H2O"	-35.012676
"1392615"	1166.4416	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H-H2O"	-17.0027
"295214"	2367.895876	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H"	1.007276
"687633"	3551.340176	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H"	1.007276
"1362160"	1184.451576	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H"	1.007276
"135053"	1184.451576	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2H"	2.014552
"574614"	1776.173726	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2H"	2.014552
"1045600"	592.729426	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2H"	2.014552
"217874"	789.970142666667	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+3H"	3.021828
"650874"	1184.451576	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+3H"	3.021828
"1174467"	395.488709333333	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3H"	3.021828
"434463"	2384.922423	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+NH4"	18.033823
"796553"	3568.366723	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+NH4"	18.033823
"1692886"	1201.478123	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4"	18.033823
"338978"	1192.9648495	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+NH4"	19.041099
"730305"	1784.6869995	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+NH4"	19.041099
"1489229"	601.2426995	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+NH4"	19.041099
"402803"	2389.877818	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Na"	22.989218
"766353"	3573.322118	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Na"	22.989218
"1610804"	1206.433518	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na"	22.989218
"325216"	1195.442547	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+Na"	23.996494
"720188"	1787.164697	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+Na"	23.996494
"1474372"	603.720397	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+Na"	23.996494
"1068067"	402.816023333333	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2H+Na"	25.00377
"1271482"	1216.477786	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+CH3OH+H"	33.033486
"389688"	2405.851758	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+K"	38.963158
"750317"	3589.296058	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+K"	38.963158
"1545807"	1222.407458	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K"	38.963158
"300065"	1203.429517	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+K"	39.970434
"696501"	1795.151667	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+K"	39.970434
"1459814"	611.707367	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+K"	39.970434
"250480"	2408.922426	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+ACN+H"	42.033826
"1224973"	1225.478126	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+H"	42.033826
"1209019"	613.242701	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+2H"	43.041102
"194962"	2411.85976	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Na-H"	44.97116
"637806"	3595.30406	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Na-H"	44.97116
"1142770"	1228.41546	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Na-H"	44.97116
"177674"	1206.433518	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Na"	45.978436
"624159"	1798.155668	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Na"	45.978436
"1125846"	614.711368	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Na"	45.978436
"1412285"	410.143337333333	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+2Na"	46.985712
"1442217"	1230.457046	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+HCOOH"	47.012746
"234468"	1211.46654	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+3H2O+2H"	56.04448
"1521435"	1244.50909	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+IsoProp+H"	61.06479
"421853"	1214.420488	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Na+K"	61.952376
"781758"	1806.142638	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Na+K"	61.952376
"1679181"	622.698338	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+K"	61.952376
"263877"	2430.904368	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+ACN+Na"	64.015768
"1236949"	1247.460068	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+Na"	64.015768
"1724382"	1247.483593	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4+HCOOH"	64.039293
"1186093"	417.470651333333	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3Na"	68.967654
"1662548"	1252.438988	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+HCOOH"	68.994688
"171719"	2443.80764	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2K-H"	76.91904
"608969"	3627.25194	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2K-H"	76.91904
"1089108"	1260.36334	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K-H"	76.91904
"155644"	1222.407458	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2K"	77.926316
"592044"	1814.129608	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2K"	77.926316
"1077648"	630.685308	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K"	77.926316
"1111952"	1262.377892	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K+H"	78.933592
"1343962"	1262.465507	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+DMSO+H"	79.021207
"1013584"	1266.504676	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2ACN+H"	83.060376
"1531710"	1267.498308	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+IsoProp+Na+H"	84.054008
"993783"	633.755976	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2ACN+2H"	84.067652
"1593755"	1268.412928	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K+HCOOH"	84.968628
"1423791"	1298.444438	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+CF3COOH"	115.000138
"1147882"	654.269251	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3ACN+2H"	125.094202
"1709097"	1315.470985	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4+CF3COOH"	132.026685
"1643654"	1320.42638	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+CF3COOH"	136.98208
"1577118"	1336.40032	"C04644"	"3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K+CF3COOH"	152.95602
"812952"	364.0243	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M"	0
"977738"	345.00591	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-H2O-H"	-19.01839
"67075"	241.675590666667	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M-3H"	-3.021828
"504446"	363.017024	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M-3H"	-3.021828
"895608"	120.334157333333	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-3H"	-3.021828
"10669"	363.017024	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M-2H"	-2.014552
"455212"	545.029174	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M-2H"	-2.014552
"826938"	181.004874	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-2H"	-2.014552
"93369"	727.041324	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M-H"	-1.007276
"529770"	1091.065624	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M-H"	-1.007276
"904292"	363.017024	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-H"	-1.007276
"49554"	744.067871	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M-2H+NH4"	16.019271
"489115"	1108.092171	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M-2H+NH4"	16.019271
"869474"	380.043571	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-2H+NH4"	16.019271
"38469"	749.023266	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M-2H+Na"	20.974666
"486537"	1113.047566	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M-2H+Na"	20.974666
"863942"	384.998966	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-2H+Na"	20.974666
"1633804"	384.998966	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Na-2H"	20.974666
"109642"	381.005363	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M-H+Cl"	33.962126
"549766"	563.017513	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M-H+Cl"	33.962126
"940439"	198.993213	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-H+Cl"	33.962126
"282322"	763.018002	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+Cl"	34.969402
"673604"	1127.042302	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+Cl"	34.969402
"1284917"	398.993702	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Cl"	34.969402
"28566"	764.997206	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M-2H+K"	36.948606
"470923"	1129.021506	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M-2H+K"	36.948606
"844838"	400.972906	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-2H+K"	36.948606
"1568324"	400.972906	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+K-2H"	36.948606
"956215"	409.022494	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-H+HCOOH"	44.998194
"372241"	773.046801	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+HCOOH-H"	44.998201
"358317"	787.062451	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+Hac-H"	59.013851
"1507026"	423.038151	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Hac-H"	59.013851
"971405"	431.004451	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-H+NaCOOH"	66.980151
"118127"	398.993702	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+2Cl"	69.938804
"554405"	581.005852	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+2Cl"	69.938804
"1028675"	216.981552	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2Cl"	69.938804
"1248987"	442.943185	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Br"	78.918885
"1307427"	444.999172	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Cl+HCOOH"	80.974872
"1324926"	466.981129	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Cl+NaCOOH"	102.956829
"915984"	477.009886	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M-H+CF3COOH"	112.985586
"1291233"	512.986564	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Cl+CF3COOH"	148.962264
"1374134"	329.011624	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H-2H2O"	-35.012676
"1389442"	347.0216	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H-H2O"	-17.0027
"291315"	729.055876	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+H"	1.007276
"685561"	1093.080176	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+H"	1.007276
"1360086"	365.031576	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H"	1.007276
"132613"	365.031576	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+2H"	2.014552
"572537"	547.043726	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+2H"	2.014552
"1044615"	183.019426	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2H"	2.014552
"210331"	243.690142666667	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+3H"	3.021828
"646242"	365.031576	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+3H"	3.021828
"1169115"	122.348709333333	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+3H"	3.021828
"431294"	746.082423	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+NH4"	18.033823
"793383"	1110.106723	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+NH4"	18.033823
"1687528"	382.058123	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+NH4"	18.033823
"335806"	373.5448495	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+H+NH4"	19.041099
"730414"	555.5569995	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+H+NH4"	19.041099
"1484234"	191.5326995	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H+NH4"	19.041099
"400726"	751.037818	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+Na"	22.989218
"761720"	1115.062118	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+Na"	22.989218
"1607632"	387.013518	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Na"	22.989218
"325324"	376.022547	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+H+Na"	23.996494
"716651"	558.034697	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+H+Na"	23.996494
"1472661"	194.010397	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H+Na"	23.996494
"1067727"	129.676023333333	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2H+Na"	25.00377
"1270498"	397.057786	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+CH3OH+H"	33.033486
"390163"	767.011758	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+K"	38.963158
"746053"	1131.036058	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+K"	38.963158
"1543002"	402.987458	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+K"	38.963158
"306378"	384.009517	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+H+K"	39.970434
"702092"	566.021667	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+H+K"	39.970434
"1451537"	201.997367	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H+K"	39.970434
"248522"	770.082426	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+ACN+H"	42.033826
"1225515"	406.058126	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+ACN+H"	42.033826
"1201107"	203.532701	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+ACN+2H"	43.041102
"195072"	773.01976	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+2Na-H"	44.97116
"637915"	1137.04406	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+2Na-H"	44.97116
"1140328"	408.99546	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2Na-H"	44.97116
"183617"	387.013518	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+2Na"	45.978436
"625730"	569.025668	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+2Na"	45.978436
"1127413"	205.001368	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2Na"	45.978436
"1410210"	137.003337333333	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H+2Na"	46.985712
"1440870"	411.037046	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H+HCOOH"	47.012746
"232392"	392.04654	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+3H2O+2H"	56.04448
"1521910"	425.08909	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+IsoProp+H"	61.06479
"417227"	395.000488	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+Na+K"	61.952376
"779317"	577.012638	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+Na+K"	61.952376
"1676375"	212.988338	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Na+K"	61.952376
"262165"	792.064368	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+ACN+Na"	64.015768
"1230506"	428.040068	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+ACN+Na"	64.015768
"1718664"	428.063593	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+NH4+HCOOH"	64.039293
"1184016"	144.330651333333	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+3Na"	68.967654
"1660470"	433.018988	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Na+HCOOH"	68.994688
"160402"	804.96764	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+2K-H"	76.91904
"599597"	1168.99194	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+2K-H"	76.91904
"1085567"	440.94334	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2K-H"	76.91904
"143112"	402.987458	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"2M+2K"	77.926316
"585953"	584.999608	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"3M+2K"	77.926316
"1070465"	220.975308	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2K"	77.926316
"1103313"	442.957892	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2K+H"	78.933592
"1337872"	443.045507	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+DMSO+H"	79.021207
"1007861"	447.084676	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2ACN+H"	83.060376
"1525742"	448.078308	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+IsoProp+Na+H"	84.054008
"992799"	224.045976	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+2ACN+2H"	84.067652
"1591677"	448.992928	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+K+HCOOH"	84.968628
"1418430"	479.024438	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+H+CF3COOH"	115.000138
"1149083"	244.559251	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+3ACN+2H"	125.094202
"1697145"	496.050985	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+NH4+CF3COOH"	132.026685
"1640484"	501.00638	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+Na+CF3COOH"	136.98208
"1572854"	516.98032	"C04646"	"6-Thioinosine-5-monophosphate;9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine"	"C10H13N4O7PS"	"364.0243"	"M+K+CF3COOH"	152.95602
"807597"	181.0504	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M"	0
"988422"	162.03201	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-H2O-H"	-19.01839
"66094"	119.692990666667	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M-3H"	-3.021828
"515496"	180.043124	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M-3H"	-3.021828
"894392"	59.3428573333333	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-3H"	-3.021828
"11877"	180.043124	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M-2H"	-2.014552
"450342"	270.568324	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M-2H"	-2.014552
"827050"	89.517924	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-2H"	-2.014552
"83764"	361.093524	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M-H"	-1.007276
"524419"	542.143924	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M-H"	-1.007276
"904410"	180.043124	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-H"	-1.007276
"62559"	378.120071	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M-2H+NH4"	16.019271
"499812"	559.170471	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M-2H+NH4"	16.019271
"877977"	197.069671	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-2H+NH4"	16.019271
"46931"	383.075466	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M-2H+Na"	20.974666
"486773"	564.125866	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M-2H+Na"	20.974666
"862507"	202.025066	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-2H+Na"	20.974666
"1632041"	202.025066	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Na-2H"	20.974666
"108205"	198.031463	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M-H+Cl"	33.962126
"548858"	288.556663	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M-H+Cl"	33.962126
"940549"	107.506263	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-H+Cl"	33.962126
"279478"	397.070202	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+Cl"	34.969402
"673359"	578.120602	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+Cl"	34.969402
"1286125"	216.019802	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Cl"	34.969402
"29048"	399.049406	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M-2H+K"	36.948606
"469334"	580.099806	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M-2H+K"	36.948606
"844957"	217.999006	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-2H+K"	36.948606
"1568442"	217.999006	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+K-2H"	36.948606
"954141"	226.048594	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-H+HCOOH"	44.998194
"374178"	407.099001	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+HCOOH-H"	44.998201
"360246"	421.114651	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+Hac-H"	59.013851
"1503978"	240.064251	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Hac-H"	59.013851
"969331"	248.030551	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-H+NaCOOH"	66.980151
"120428"	216.019802	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+2Cl"	69.938804
"554159"	306.545002	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+2Cl"	69.938804
"1025145"	125.494602	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2Cl"	69.938804
"1243995"	259.969285	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Br"	78.918885
"1305348"	262.025272	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Cl+HCOOH"	80.974872
"1321750"	284.007229	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Cl+NaCOOH"	102.956829
"914634"	294.035986	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M-H+CF3COOH"	112.985586
"1291706"	330.012664	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Cl+CF3COOH"	148.962264
"1372420"	146.037724	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H-2H2O"	-35.012676
"1387365"	164.0477	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H-H2O"	-17.0027
"285958"	363.108076	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+H"	1.007276
"679474"	544.158476	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+H"	1.007276
"1355823"	182.057676	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H"	1.007276
"131994"	182.057676	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+2H"	2.014552
"572650"	272.582876	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+2H"	2.014552
"1045823"	91.532476	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2H"	2.014552
"206071"	121.707542666667	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+3H"	3.021828
"654378"	182.057676	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+3H"	3.021828
"1173596"	61.3574093333333	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+3H"	3.021828
"437598"	380.134623	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+NH4"	18.033823
"795681"	561.185023	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+NH4"	18.033823
"1693102"	199.084223	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+NH4"	18.033823
"340288"	190.5709495	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+H+NH4"	19.041099
"731616"	281.0961495	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+H+NH4"	19.041099
"1487624"	100.0457495	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H+NH4"	19.041099
"405207"	385.090018	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+Na"	22.989218
"766203"	566.140418	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+Na"	22.989218
"1612115"	204.039618	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Na"	22.989218
"325433"	193.048647	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+H+Na"	23.996494
"720770"	283.573847	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+H+Na"	23.996494
"1473859"	102.523447	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H+Na"	23.996494
"1063825"	68.6847233333333	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2H+Na"	25.00377
"1268055"	214.083886	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+CH3OH+H"	33.033486
"387357"	401.063958	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+K"	38.963158
"753465"	582.114358	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+K"	38.963158
"1548231"	220.013558	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+K"	38.963158
"307593"	201.035617	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+H+K"	39.970434
"700013"	291.560817	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+H+K"	39.970434
"1453835"	110.510417	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H+K"	39.970434
"240248"	404.134626	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+ACN+H"	42.033826
"1218432"	223.084226	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+ACN+H"	42.033826
"1205595"	112.045751	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+ACN+2H"	43.041102
"201384"	407.07196	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+2Na-H"	44.97116
"638756"	588.12236	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+2Na-H"	44.97116
"1139347"	226.02156	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2Na-H"	44.97116
"186284"	204.039618	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+2Na"	45.978436
"623657"	294.564818	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+2Na"	45.978436
"1122424"	113.514418	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2Na"	45.978436
"1407043"	76.0120373333333	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H+2Na"	46.985712
"1441710"	228.063146	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H+HCOOH"	47.012746
"230678"	209.07264	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+3H2O+2H"	56.04448
"1516919"	242.11519	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+IsoProp+H"	61.06479
"415513"	212.026588	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+Na+K"	61.952376
"778696"	302.551788	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+Na+K"	61.952376
"1671747"	121.501388	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Na+K"	61.952376
"257538"	426.116568	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+ACN+Na"	64.015768
"1233164"	245.066168	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+ACN+Na"	64.015768
"1719865"	245.089693	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+NH4+HCOOH"	64.039293
"1181207"	83.3393513333333	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+3Na"	68.967654
"1651464"	250.045088	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Na+HCOOH"	68.994688
"158325"	439.01984	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+2K-H"	76.91904
"601533"	620.07024	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+2K-H"	76.91904
"1086772"	257.96944	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2K-H"	76.91904
"143951"	220.013558	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"2M+2K"	77.926316
"586793"	310.538758	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"3M+2K"	77.926316
"1072399"	129.488358	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2K"	77.926316
"1102691"	259.983992	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2K+H"	78.933592
"1340168"	260.071607	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+DMSO+H"	79.021207
"1010887"	264.110776	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2ACN+H"	83.060376
"1526824"	265.104408	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+IsoProp+Na+H"	84.054008
"992909"	132.559026	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+2ACN+2H"	84.067652
"1589601"	266.019028	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+K+HCOOH"	84.968628
"1421820"	296.050538	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+H+CF3COOH"	115.000138
"1149924"	153.072301	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+3ACN+2H"	125.094202
"1698016"	313.077085	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+NH4+CF3COOH"	132.026685
"1646063"	318.03248	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+Na+CF3COOH"	136.98208
"1575152"	334.00642	"C04650"	"L-2-Amino-4-(hydroxymethylphosphinyl)butanoate"	"C5H12NO4P"	"181.0504"	"M+K+CF3COOH"	152.95602
"807707"	1017.4576	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M"	0
"988896"	998.43921	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-H2O-H"	-19.01839
"78235"	677.297790666667	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M-3H"	-3.021828
"517071"	1016.450324	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M-3H"	-3.021828
"893049"	338.145257333333	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-3H"	-3.021828
"11988"	1016.450324	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M-2H"	-2.014552
"450454"	1525.179124	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M-2H"	-2.014552
"830442"	507.721524	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-2H"	-2.014552
"86060"	2033.907924	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M-H"	-1.007276
"519303"	3051.365524	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M-H"	-1.007276
"897956"	1016.450324	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-H"	-1.007276
"48075"	2050.934471	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M-2H+NH4"	16.019271
"490434"	3068.392071	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M-2H+NH4"	16.019271
"875165"	1033.476871	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-2H+NH4"	16.019271
"39785"	2055.889866	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M-2H+Na"	20.974666
"481532"	3073.347466	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M-2H+Na"	20.974666
"858241"	1038.432266	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-2H+Na"	20.974666
"1629961"	1038.432266	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Na-2H"	20.974666
"107585"	1034.438663	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M-H+Cl"	33.962126
"549417"	1543.167463	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M-H+Cl"	33.962126
"940782"	525.709863	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-H+Cl"	33.962126
"281894"	2069.884602	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+Cl"	34.969402
"670544"	3087.342202	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+Cl"	34.969402
"1286965"	1052.427002	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Cl"	34.969402
"30250"	2071.863806	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M-2H+K"	36.948606
"470498"	3089.321406	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M-2H+K"	36.948606
"842879"	1054.406206	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-2H+K"	36.948606
"1569648"	1054.406206	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+K-2H"	36.948606
"954251"	1062.455794	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-H+HCOOH"	44.998194
"372466"	2079.913401	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+HCOOH-H"	44.998201
"359627"	2093.929051	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+Hac-H"	59.013851
"1504087"	1076.471451	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Hac-H"	59.013851
"969441"	1084.437751	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-H+NaCOOH"	66.980151
"120539"	1052.427002	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+2Cl"	69.938804
"552810"	1561.155802	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+2Cl"	69.938804
"1026714"	543.698202	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2Cl"	69.938804
"1244105"	1096.376485	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Br"	78.918885
"1305094"	1098.432472	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Cl+HCOOH"	80.974872
"1321132"	1120.414429	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Cl+NaCOOH"	102.956829
"914744"	1130.443186	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M-H+CF3COOH"	112.985586
"1292181"	1166.419864	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Cl+CF3COOH"	148.962264
"1374353"	982.444924	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H-2H2O"	-35.012676
"1384195"	1000.4549	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H-H2O"	-17.0027
"287162"	2035.922476	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+H"	1.007276
"683958"	3053.380076	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+H"	1.007276
"1360309"	1018.464876	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H"	1.007276
"131011"	1018.464876	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+2H"	2.014552
"573125"	1527.193676	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+2H"	2.014552
"1043747"	509.736076	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2H"	2.014552
"210556"	679.312342666667	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+3H"	3.021828
"650116"	1018.464876	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+3H"	3.021828
"1170428"	340.159809333333	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+3H"	3.021828
"430422"	2052.949023	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+NH4"	18.033823
"790323"	3070.406623	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+NH4"	18.033823
"1684100"	1035.491423	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+NH4"	18.033823
"330919"	1026.9781495	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+H+NH4"	19.041099
"729536"	1535.7069495	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+H+NH4"	19.041099
"1483356"	518.2493495	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H+NH4"	19.041099
"402036"	2057.904418	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+Na"	22.989218
"761939"	3075.362018	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+Na"	22.989218
"1612223"	1040.446818	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Na"	22.989218
"321165"	1029.455847	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+H+Na"	23.996494
"715773"	1538.184647	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+H+Na"	23.996494
"1473239"	520.727047	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H+Na"	23.996494
"1059559"	347.487123333333	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2H+Na"	25.00377
"1263424"	1050.491086	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+CH3OH+H"	33.033486
"379082"	2073.878358	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+K"	38.963158
"750658"	3091.335958	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+K"	38.963158
"1546883"	1056.420758	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+K"	38.963158
"309891"	1037.442817	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+H+K"	39.970434
"701946"	1546.171617	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+H+K"	39.970434
"1451755"	528.714017	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H+K"	39.970434
"238900"	2076.949026	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+ACN+H"	42.033826
"1216349"	1059.491426	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+ACN+H"	42.033826
"1202422"	530.249351	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+ACN+2H"	43.041102
"199305"	2079.88636	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+2Na-H"	44.97116
"639230"	3097.34396	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+2Na-H"	44.97116
"1142372"	1062.42876	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2Na-H"	44.97116
"185300"	1040.446818	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+2Na"	45.978436
"620852"	1549.175618	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+2Na"	45.978436
"1123628"	531.718018	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2Na"	45.978436
"1407882"	354.814437333333	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H+2Na"	46.985712
"1441820"	1064.470346	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H+HCOOH"	47.012746
"230061"	1045.47984	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+3H2O+2H"	56.04448
"1518125"	1078.52239	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+IsoProp+H"	61.06479
"417811"	1048.433788	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+Na+K"	61.952376
"779900"	1557.162588	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+Na+K"	61.952376
"1672951"	539.704988	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Na+K"	61.952376
"261657"	2098.930968	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+ACN+Na"	64.015768
"1235459"	1081.473368	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+ACN+Na"	64.015768
"1721068"	1081.496893	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+NH4+HCOOH"	64.039293
"1181319"	362.141751333333	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+3Na"	68.967654
"1651576"	1086.452288	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Na+HCOOH"	68.994688
"159166"	2111.83424	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+2K-H"	76.91904
"600913"	3129.29184	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+2K-H"	76.91904
"1086516"	1094.37664	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2K-H"	76.91904
"144065"	1056.420758	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"2M+2K"	77.926316
"582528"	1565.149558	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"3M+2K"	77.926316
"1072147"	547.691958	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2K"	77.926316
"1104626"	1096.391192	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2K+H"	78.933592
"1338459"	1096.478807	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+DMSO+H"	79.021207
"1007351"	1100.517976	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2ACN+H"	83.060376
"1526572"	1101.511608	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+IsoProp+Na+H"	84.054008
"991562"	550.762626	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+2ACN+2H"	84.067652
"1595178"	1102.426228	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+K+HCOOH"	84.968628
"1423024"	1132.457738	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+H+CF3COOH"	115.000138
"1150034"	571.275901	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+3ACN+2H"	125.094202
"1706146"	1149.484285	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+NH4+CF3COOH"	132.026685
"1646173"	1154.43968	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+Na+CF3COOH"	136.98208
"1577450"	1170.41362	"C04652"	"UDP-23-bis(3-hydroxytetradecanoyl)glucosamine;UDP-23-bis(beta-hydroxymyristoyl)-D-glucosamine;UDP-23-bis(3-hydroxytetradecanoyl)-D-glucosamine;UDP-23-bisO-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C43H77N3O20P2"	"1017.4576"	"M+K+CF3COOH"	152.95602
"807817"	352.225	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M"	0
"988886"	333.20661	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"76156"	233.809390666667	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"517911"	351.217724	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"893159"	116.401057333333	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"14284"	351.217724	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"453844"	527.330224	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"828365"	175.105224	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"86170"	703.442724	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"520627"	1055.667724	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"896972"	351.217724	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"48793"	720.469271	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"489816"	1072.694271	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"875275"	368.244271	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"39895"	725.424666	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"481642"	1077.649666	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"858350"	373.199666	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1626790"	373.199666	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"106235"	369.206063	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"547620"	545.318563	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"938583"	193.093563	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"279943"	739.419402	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"670290"	1091.644402	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1285977"	387.194402	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"27439"	741.398606	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"466276"	1093.623606	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"842989"	389.173606	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1568302"	389.173606	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"955091"	397.223194	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"371483"	749.448201	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"358644"	763.463851	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1502011"	411.238851	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"968458"	419.205151	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"119556"	387.194402	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"550370"	563.306902	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1025731"	211.081902	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1244580"	431.143885	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1304840"	433.199872	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1323795"	455.181829	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"916676"	465.210586	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1290467"	501.187264	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1370089"	317.212324	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1386492"	335.2223	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"286178"	705.457276	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"684068"	1057.682276	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1361876"	353.232276	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H"	1.007276
"132214"	353.232276	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"571777"	529.344776	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1044950"	177.119776	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"211759"	235.823942666667	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"652413"	353.232276	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1171631"	118.415609333333	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"430532"	722.483823	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"790433"	1074.708823	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1685668"	370.258823	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"331394"	361.7455495	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"730740"	537.8580495	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1483470"	185.6330495	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"401056"	727.439218	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"763143"	1079.664218	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1613427"	375.214218	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"322368"	364.223247	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"719163"	540.335747	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1473349"	188.110747	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1059669"	125.742923333333	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1263534"	385.258486	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"384295"	743.413158	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"748947"	1095.638158	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1548448"	391.188158	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+K"	38.963158
"307084"	372.210217	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"701327"	548.322717	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1450772"	196.097717	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"240467"	746.483826	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1216459"	394.258826	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1198157"	197.633051	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"195402"	749.42116	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"639339"	1101.64616	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1143211"	397.19616	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"184682"	375.214218	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"619139"	551.326718	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1123738"	199.101718	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1405805"	133.070237333333	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1441932"	399.237746	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"230899"	380.24724	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1516048"	413.28979	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"414640"	383.201188	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"778916"	559.313688	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1674154"	207.088688	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"260673"	768.465768	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1235569"	416.240768	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1721177"	416.264293	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1181428"	140.397551333333	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1653147"	421.219688	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"158549"	781.36904	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"597741"	1133.59404	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1084804"	429.14404	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"144174"	391.188158	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"583733"	567.300658	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1071529"	215.075658	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1101456"	431.158592	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1338569"	431.246207	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1007460"	435.285376	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1525953"	436.279008	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"990580"	218.146326	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1598568"	437.193628	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1418760"	467.225138	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1150144"	238.659601	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1706256"	484.251685	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1645919"	489.20708	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1577560"	505.18102	"C04654"	"(13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"811208"	332.1835	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M"	0
"983648"	313.16511	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-H2O-H"	-19.01839
"78354"	220.448390666667	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M-3H"	-3.021828
"518263"	331.176224	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M-3H"	-3.021828
"892537"	109.720557333333	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-3H"	-3.021828
"14272"	331.176224	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M-2H"	-2.014552
"451768"	497.267974	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M-2H"	-2.014552
"832742"	165.084474	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-2H"	-2.014552
"85187"	663.359724	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M-H"	-1.007276
"521830"	995.543224	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M-H"	-1.007276
"898903"	331.176224	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-H"	-1.007276
"60208"	680.386271	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M-2H+NH4"	16.019271
"498676"	1012.569771	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M-2H+NH4"	16.019271
"878304"	348.202771	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-2H+NH4"	16.019271
"45840"	685.341666	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M-2H+Na"	20.974666
"486006"	1017.525166	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M-2H+Na"	20.974666
"863811"	353.158166	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-2H+Na"	20.974666
"1633752"	353.158166	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Na-2H"	20.974666
"109150"	349.164563	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M-H+Cl"	33.962126
"547364"	515.256313	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M-H+Cl"	33.962126
"942422"	183.072813	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-H+Cl"	33.962126
"280783"	699.336402	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+Cl"	34.969402
"673447"	1031.519902	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+Cl"	34.969402
"1286817"	367.152902	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Cl"	34.969402
"29372"	701.315606	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M-2H+K"	36.948606
"469297"	1033.499106	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M-2H+K"	36.948606
"845653"	369.132106	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-2H+K"	36.948606
"1570479"	369.132106	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+K-2H"	36.948606
"950098"	377.181694	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-H+HCOOH"	44.998194
"369406"	709.365201	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+HCOOH-H"	44.998201
"356567"	723.380851	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+Hac-H"	59.013851
"1501028"	391.197351	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Hac-H"	59.013851
"967475"	399.163651	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-H+NaCOOH"	66.980151
"118571"	367.152902	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+2Cl"	69.938804
"559232"	533.244652	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+2Cl"	69.938804
"1026208"	201.061152	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2Cl"	69.938804
"1249796"	411.102385	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Br"	78.918885
"1311149"	413.158372	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Cl+HCOOH"	80.974872
"1325728"	435.140329	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Cl+NaCOOH"	102.956829
"915693"	445.169086	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M-H+CF3COOH"	112.985586
"1297506"	481.145764	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Cl+CF3COOH"	148.962264
"1372388"	297.170824	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H-2H2O"	-35.012676
"1394258"	315.1808	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H-H2O"	-17.0027
"290663"	665.374276	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+H"	1.007276
"683085"	997.557776	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+H"	1.007276
"1361623"	333.190776	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H"	1.007276
"137430"	333.190776	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+2H"	2.014552
"572981"	499.282526	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+2H"	2.014552
"1043967"	167.099026	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2H"	2.014552
"214059"	222.462942666667	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+3H"	3.021828
"653618"	333.190776	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+3H"	3.021828
"1170650"	111.735109333333	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+3H"	3.021828
"433924"	682.400823	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+NH4"	18.033823
"792732"	1014.584323	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+NH4"	18.033823
"1686874"	350.217323	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+NH4"	18.033823
"335153"	341.7040495	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+H+NH4"	19.041099
"730854"	507.7957995	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+H+NH4"	19.041099
"1485768"	175.6122995	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H+NH4"	19.041099
"401169"	687.356218	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+Na"	22.989218
"763257"	1019.539718	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+Na"	22.989218
"1612447"	355.172718	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Na"	22.989218
"326491"	344.181747	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+H+Na"	23.996494
"717819"	510.273497	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+H+Na"	23.996494
"1474919"	178.089997	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H+Na"	23.996494
"1063060"	119.062423333333	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2H+Na"	25.00377
"1263644"	365.216986	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+CH3OH+H"	33.033486
"383312"	703.330158	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+K"	38.963158
"753064"	1035.513658	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+K"	38.963158
"1553299"	371.146658	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+K"	38.963158
"311568"	352.168717	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+H+K"	39.970434
"704351"	518.260467	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+H+K"	39.970434
"1451976"	186.076967	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H+K"	39.970434
"238755"	706.400826	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+ACN+H"	42.033826
"1219853"	374.217326	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+ACN+H"	42.033826
"1203737"	187.612301	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+ACN+2H"	43.041102
"197701"	709.33816	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+2Na-H"	44.97116
"633980"	1041.52166	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+2Na-H"	44.97116
"1138580"	377.15466	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2Na-H"	44.97116
"175306"	355.172718	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+2Na"	45.978436
"620342"	521.264468	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+2Na"	45.978436
"1127131"	189.080968	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2Na"	45.978436
"1410290"	126.389737333333	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H+2Na"	46.985712
"1443867"	379.196246	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H+HCOOH"	47.012746
"231738"	360.20574	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+3H2O+2H"	56.04448
"1518344"	393.24829	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+IsoProp+H"	61.06479
"420217"	363.159688	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+Na+K"	61.952376
"781212"	529.251438	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+Na+K"	61.952376
"1679003"	197.067938	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Na+K"	61.952376
"262972"	728.382768	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+ACN+Na"	64.015768
"1236412"	396.199268	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+ACN+Na"	64.015768
"1721289"	396.222793	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+NH4+HCOOH"	64.039293
"1188831"	133.717051333333	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+3Na"	68.967654
"1655444"	401.178188	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Na+HCOOH"	68.994688
"159390"	741.28604	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+2K-H"	76.91904
"600771"	1073.46954	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+2K-H"	76.91904
"1086011"	409.10254	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2K-H"	76.91904
"145016"	371.146658	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"2M+2K"	77.926316
"591501"	537.238408	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"3M+2K"	77.926316
"1073828"	205.054908	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2K"	77.926316
"1105944"	411.117092	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2K+H"	78.933592
"1340140"	411.204707	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+DMSO+H"	79.021207
"1010857"	415.243876	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2ACN+H"	83.060376
"1528982"	416.237508	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+IsoProp+Na+H"	84.054008
"993243"	208.125576	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+2ACN+2H"	84.067652
"1592119"	417.152128	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+K+HCOOH"	84.968628
"1417779"	447.183638	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+H+CF3COOH"	115.000138
"1156817"	228.638851	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+3ACN+2H"	125.094202
"1704182"	464.210185	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+NH4+CF3COOH"	132.026685
"1646393"	469.16558	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+Na+CF3COOH"	136.98208
"1584231"	485.13952	"C04655"	"(2S3S)-2-Hydroxytridecane-123-tricarboxylate"	"C16H28O7"	"332.1835"	"M+K+CF3COOH"	152.95602
"813506"	727.2191	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M"	0
"984852"	708.20071	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-H2O-H"	-19.01839
"73096"	483.805457333333	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M-3H"	-3.021828
"512655"	726.211824	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M-3H"	-3.021828
"893739"	241.399090666667	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-3H"	-3.021828
"12317"	726.211824	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H"	-2.014552
"444222"	1089.821374	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H"	-2.014552
"822024"	362.602274	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H"	-2.014552
"82380"	1453.430924	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M-H"	-1.007276
"521572"	2180.650024	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M-H"	-1.007276
"898645"	726.211824	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-H"	-1.007276
"50477"	1470.457471	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H+NH4"	16.019271
"502436"	2197.676571	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H+NH4"	16.019271
"879386"	743.238371	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H+NH4"	16.019271
"45954"	1475.412866	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H+Na"	20.974666
"485144"	2202.631966	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H+Na"	20.974666
"858571"	748.193766	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H+Na"	20.974666
"1630291"	748.193766	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na-2H"	20.974666
"106820"	744.200163	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M-H+Cl"	33.962126
"547110"	1107.809713	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M-H+Cl"	33.962126
"941355"	380.590613	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+Cl"	33.962126
"282424"	1489.407602	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Cl"	34.969402
"675580"	2216.626702	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+Cl"	34.969402
"1286569"	762.188502	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl"	34.969402
"27308"	1491.386806	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H+K"	36.948606
"466867"	2218.605906	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H+K"	36.948606
"841023"	764.167706	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H+K"	36.948606
"1564511"	764.167706	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+K-2H"	36.948606
"947290"	772.217294	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+HCOOH"	44.998194
"369516"	1499.436401	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+HCOOH-H"	44.998201
"356683"	1513.452051	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Hac-H"	59.013851
"1500779"	786.232951	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Hac-H"	59.013851
"964313"	794.199251	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+NaCOOH"	66.980151
"115406"	762.188502	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2Cl"	69.938804
"558978"	1125.798052	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2Cl"	69.938804
"1027411"	398.578952	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2Cl"	69.938804
"1249906"	806.137985	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Br"	78.918885
"1314540"	808.193972	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl+HCOOH"	80.974872
"1328755"	830.175929	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl+NaCOOH"	102.956829
"916897"	840.204686	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+CF3COOH"	112.985586
"1294699"	876.181364	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl+CF3COOH"	148.962264
"1372862"	692.206424	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H-2H2O"	-35.012676
"1385255"	710.2164	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H-H2O"	-17.0027
"287858"	1455.445476	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H"	1.007276
"681373"	2182.664576	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H"	1.007276
"1361732"	728.226376	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H"	1.007276
"133529"	728.226376	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2H"	2.014552
"569811"	1091.835926	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2H"	2.014552
"1048455"	364.616826	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2H"	2.014552
"213075"	485.820009333333	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+3H"	3.021828
"651540"	728.226376	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+3H"	3.021828
"1174039"	243.413642666667	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+3H"	3.021828
"432938"	1472.472023	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+NH4"	18.033823
"791748"	2199.691123	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+NH4"	18.033823
"1686984"	745.252923	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+NH4"	18.033823
"341821"	736.7396495	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H+NH4"	19.041099
"732059"	1100.3491995	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H+NH4"	19.041099
"1488063"	373.1300995	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+NH4"	19.041099
"404557"	1477.427418	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Na"	22.989218
"766644"	2204.646518	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+Na"	22.989218
"1614741"	750.208318	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na"	22.989218
"327694"	739.217347	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H+Na"	23.996494
"719387"	1102.826897	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H+Na"	23.996494
"1473207"	375.607797	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+Na"	23.996494
"1060985"	250.740956666667	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2H+Na"	25.00377
"1261565"	760.252586	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+CH3OH+H"	33.033486
"391697"	1493.401358	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+K"	38.963158
"753178"	2220.620458	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+K"	38.963158
"1551949"	766.182258	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+K"	38.963158
"312408"	747.204317	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H+K"	39.970434
"701547"	1110.813867	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H+K"	39.970434
"1452086"	383.594767	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+K"	39.970434
"241781"	1496.472026	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+ACN+H"	42.033826
"1216680"	769.252926	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+ACN+H"	42.033826
"1200565"	385.130101	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+ACN+2H"	43.041102
"194528"	1499.40936	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2Na-H"	44.97116
"631538"	2226.62846	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2Na-H"	44.97116
"1144161"	772.19026	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2Na-H"	44.97116
"184171"	750.208318	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2Na"	45.978436
"621546"	1113.817868	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2Na"	45.978436
"1123959"	386.598768	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2Na"	45.978436
"1403109"	258.068270666667	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+2Na"	46.985712
"1439599"	774.231846	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+HCOOH"	47.012746
"231482"	755.24134	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+3H2O+2H"	56.04448
"1519543"	788.28389	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+IsoProp+H"	61.06479
"421417"	758.195288	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Na+K"	61.952376
"780962"	1121.804838	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+Na+K"	61.952376
"1674375"	394.585738	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na+K"	61.952376
"261989"	1518.453968	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+ACN+Na"	64.015768
"1233606"	791.234868	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+ACN+Na"	64.015768
"1722492"	791.258393	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+NH4+HCOOH"	64.039293
"1183475"	265.395584666667	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+3Na"	68.967654
"1650814"	796.213788	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na+HCOOH"	68.994688
"157279"	1531.35724	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2K-H"	76.91904
"597963"	2258.57634	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2K-H"	76.91904
"1085024"	804.13814	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2K-H"	76.91904
"144034"	766.182258	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2K"	77.926316
"583228"	1129.791808	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2K"	77.926316
"1072843"	402.572708	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2K"	77.926316
"1108238"	806.152692	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2K+H"	78.933592
"1338062"	806.240307	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+DMSO+H"	79.021207
"1008779"	810.279476	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2ACN+H"	83.060376
"1527997"	811.273108	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+IsoProp+Na+H"	84.054008
"991526"	405.643376	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+2ACN+2H"	84.067652
"1589311"	812.187728	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+K+HCOOH"	84.968628
"1416429"	842.219238	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+CF3COOH"	115.000138
"1148906"	426.156651	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+3ACN+2H"	125.094202
"1698822"	859.245785	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+NH4+CF3COOH"	132.026685
"1636662"	864.20118	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na+CF3COOH"	136.98208
"1572313"	880.17512	"C04660"	"3-Deoxydihydrostreptomycin 63-bis-phosphate"	"C21H43N7O17P2"	"727.2191"	"M+K+CF3COOH"	152.95602
"812523"	408.2876	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M"	0
"984962"	389.26921	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"72113"	271.184457333333	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"510577"	407.280324	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"892756"	135.088590666667	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"11334"	407.280324	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"445426"	611.424124	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"822134"	203.136524	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"83221"	815.567924	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"520588"	1223.855524	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"897057"	407.280324	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"49122"	832.594471	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"493428"	1240.882071	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"877794"	424.306871	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"46749"	837.549866	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"485254"	1245.837466	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"861961"	429.262266	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1631496"	429.262266	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"108875"	425.268663	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"547584"	629.412463	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"940007"	221.124863	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"280387"	851.544602	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"673904"	1259.832202	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1286673"	443.257002	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"25231"	853.523806	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"467706"	1261.811406	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"843320"	445.236206	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1570457"	445.236206	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"955057"	453.285794	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"370719"	861.573401	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"353510"	875.589051	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1500153"	467.301451	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"964420"	475.267751	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"115516"	443.257002	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"558358"	647.400802	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1026063"	239.113202	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1247828"	487.206485	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1312462"	489.262472	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1324126"	511.244429	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"919923"	521.273186	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1295173"	557.249864	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1371513"	373.274924	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1391197"	391.2849	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"289061"	817.582476	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"678930"	1225.870076	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1357103"	409.294876	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"133640"	409.294876	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"571014"	613.438676	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1046378"	205.151076	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"214278"	273.199009333333	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"656024"	409.294876	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1171965"	137.103142666667	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"435235"	834.609023	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"791858"	1242.896623	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1684908"	426.321423	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"336466"	417.8081495	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"733264"	621.9519495	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1487081"	213.6643495	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"402481"	839.564418	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"766755"	1247.852018	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1616674"	431.276818	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"328169"	420.285847	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"719133"	624.429647	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1473317"	216.142047	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1060002"	144.430456666667	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1260584"	441.321086	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"391198"	855.538358	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"752924"	1263.825958	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1549873"	447.250758	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"312518"	428.272817	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"700564"	632.416617	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1455476"	224.129017	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"241890"	858.609026	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1214604"	450.321426	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1196055"	225.664351	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"190627"	861.54636	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"631648"	1269.83396	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1139896"	453.25876	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"184281"	431.276818	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"620562"	635.420618	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1124069"	227.133018	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1406500"	151.757770666667	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1439709"	455.300346	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"229407"	436.30984	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1520748"	469.35239	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"420433"	439.263788	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"782165"	643.407588	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1676674"	235.119988	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"261005"	880.590968	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1238088"	472.303368	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1722601"	472.326893	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1187957"	159.085084666667	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1653477"	477.282288	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"158390"	893.49424	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"598072"	1301.78184	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1086233"	485.20664	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"145237"	447.250758	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"584434"	651.394558	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1073320"	243.106958	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1106162"	487.221192	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1338901"	487.308807	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1008521"	491.347976	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1527013"	492.341608	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"993463"	246.177626	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1589423"	493.256228	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1416539"	523.287738	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1151569"	266.690901	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1698325"	540.314285	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1637867"	545.26968	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1573518"	561.24362	"C04661"	"3alpha7alpha12beta-Trihydroxy-5beta-cholanate;3alpha7alpha12beta-Trihydroxy-5beta-cholanic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"804979"	258.0964	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M"	0
"978511"	239.07801	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-H2O-H"	-19.01839
"72222"	171.056990666667	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M-3H"	-3.021828
"516527"	257.089124	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M-3H"	-3.021828
"891775"	85.0248573333333	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-3H"	-3.021828
"4884"	257.089124	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M-2H"	-2.014552
"444443"	386.137324	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M-2H"	-2.014552
"822244"	128.040924	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-2H"	-2.014552
"80414"	515.185524	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M-H"	-1.007276
"519971"	773.281924	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M-H"	-1.007276
"902883"	257.089124	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-H"	-1.007276
"48505"	532.212071	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M-2H+NH4"	16.019271
"491350"	790.308471	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M-2H+NH4"	16.019271
"866235"	274.115671	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-2H+NH4"	16.019271
"35960"	537.167466	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M-2H+Na"	20.974666
"479895"	795.263866	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M-2H+Na"	20.974666
"862071"	279.071066	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-2H+Na"	20.974666
"1627231"	279.071066	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Na-2H"	20.974666
"100480"	275.077463	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M-H+Cl"	33.962126
"544414"	404.125663	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M-H+Cl"	33.962126
"940116"	146.029263	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-H+Cl"	33.962126
"280496"	551.162202	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+Cl"	34.969402
"674624"	809.258602	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+Cl"	34.969402
"1280231"	293.065802	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Cl"	34.969402
"22789"	553.141406	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M-2H+K"	36.948606
"461616"	811.237806	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M-2H+K"	36.948606
"842338"	295.045006	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-2H+K"	36.948606
"1565826"	295.045006	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+K-2H"	36.948606
"946052"	303.094594	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-H+HCOOH"	44.998194
"368643"	561.191001	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+HCOOH-H"	44.998201
"352890"	575.206651	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+Hac-H"	59.013851
"1501360"	317.110251	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Hac-H"	59.013851
"964529"	325.076551	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-H+NaCOOH"	66.980151
"117814"	293.065802	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+2Cl"	69.938804
"560292"	422.114002	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+2Cl"	69.938804
"1032371"	164.017602	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2Cl"	69.938804
"1251219"	337.015285	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Br"	78.918885
"1308928"	339.071272	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Cl+HCOOH"	80.974872
"1324237"	361.053229	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Cl+NaCOOH"	102.956829
"917118"	371.081986	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M-H+CF3COOH"	112.985586
"1297836"	407.058664	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Cl+CF3COOH"	148.962264
"1372352"	223.083724	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H-2H2O"	-35.012676
"1392400"	241.0937	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H-H2O"	-17.0027
"288078"	517.200076	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+H"	1.007276
"680135"	775.296476	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+H"	1.007276
"1359766"	259.103676	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H"	1.007276
"131564"	259.103676	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+2H"	2.014552
"577688"	388.151876	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+2H"	2.014552
"1047580"	130.055476	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2H"	2.014552
"215480"	173.071542666667	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+3H"	3.021828
"653947"	259.103676	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+3H"	3.021828
"1170982"	87.0394093333334	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+3H"	3.021828
"428786"	534.226623	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+NH4"	18.033823
"793061"	792.323023	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+NH4"	18.033823
"1687204"	276.130223	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+NH4"	18.033823
"335484"	267.6169495	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+H+NH4"	19.041099
"730092"	396.6651495	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+H+NH4"	19.041099
"1487193"	138.5687495	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H+NH4"	19.041099
"403683"	539.182018	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+Na"	22.989218
"767962"	797.278418	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+Na"	22.989218
"1614966"	281.085618	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Na"	22.989218
"329376"	270.094647	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+H+Na"	23.996494
"721310"	399.142847	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+H+Na"	23.996494
"1473427"	141.046447	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H+Na"	23.996494
"1057924"	94.3667233333333	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2H+Na"	25.00377
"1270915"	291.129886	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+CH3OH+H"	33.033486
"389123"	555.155958	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+K"	38.963158
"750116"	813.252358	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+K"	38.963158
"1547795"	297.059558	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+K"	38.963158
"304971"	278.081617	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+H+K"	39.970434
"695205"	407.129817	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+H+K"	39.970434
"1446839"	149.033417	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H+K"	39.970434
"240909"	558.226626	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+ACN+H"	42.033826
"1211431"	300.130226	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+ACN+H"	42.033826
"1195678"	150.568751	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+ACN+2H"	43.041102
"195847"	561.16396	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+2Na-H"	44.97116
"633219"	819.26036	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+2Na-H"	44.97116
"1132471"	303.06756	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2Na-H"	44.97116
"183298"	281.085618	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+2Na"	45.978436
"620674"	410.133818	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+2Na"	45.978436
"1124179"	152.037418	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2Na"	45.978436
"1403328"	101.694037333333	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H+2Na"	46.985712
"1434715"	305.109146	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H+HCOOH"	47.012746
"230608"	286.11864	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+3H2O+2H"	56.04448
"1521951"	319.16119	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+IsoProp+H"	61.06479
"420549"	289.072588	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+Na+K"	61.952376
"784462"	418.120788	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+Na+K"	61.952376
"1675688"	160.024388	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Na+K"	61.952376
"263304"	580.208568	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+ACN+Na"	64.015768
"1238203"	322.112168	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+ACN+Na"	64.015768
"1720528"	322.135693	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+NH4+HCOOH"	64.039293
"1184787"	109.021351333333	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+3Na"	68.967654
"1652493"	327.091088	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Na+HCOOH"	68.994688
"159716"	593.11184	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+2K-H"	76.91904
"601101"	851.20824	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+2K-H"	76.91904
"1087800"	335.01544	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2K-H"	76.91904
"144981"	297.059558	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"2M+2K"	77.926316
"586728"	426.107758	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"3M+2K"	77.926316
"1074158"	168.011358	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2K"	77.926316
"1102260"	337.029992	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2K+H"	78.933592
"1340471"	337.117607	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+DMSO+H"	79.021207
"1008268"	341.156776	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2ACN+H"	83.060376
"1527490"	342.150408	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+IsoProp+Na+H"	84.054008
"994666"	171.082026	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+2ACN+2H"	84.067652
"1588803"	343.065028	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+K+HCOOH"	84.968628
"1417017"	373.096538	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+H+CF3COOH"	115.000138
"1147548"	191.595301	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+3ACN+2H"	125.094202
"1708889"	390.123085	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+NH4+CF3COOH"	132.026685
"1640167"	395.07848	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+Na+CF3COOH"	136.98208
"1584565"	411.05242	"C04663"	"Acadesine;AICA riboside;5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide;5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside"	"C9H14N4O5"	"258.0964"	"M+K+CF3COOH"	152.95602
"805089"	1331.5514	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M"	0
"978621"	1312.53301	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-H2O-H"	-19.01839
"71239"	886.693657333333	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M-3H"	-3.021828
"517365"	1330.544124	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M-3H"	-3.021828
"891521"	442.843190666667	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-3H"	-3.021828
"9368"	1330.544124	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M-2H"	-2.014552
"450021"	1996.319824	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M-2H"	-2.014552
"826728"	664.768424	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-2H"	-2.014552
"82347"	2662.095524	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M-H"	-1.007276
"528470"	3993.646924	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M-H"	-1.007276
"901900"	1330.544124	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-H"	-1.007276
"58463"	2679.122071	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M-2H+NH4"	16.019271
"491461"	4010.673471	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M-2H+NH4"	16.019271
"878621"	1347.570671	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-2H+NH4"	16.019271
"40445"	2684.077466	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M-2H+Na"	20.974666
"486204"	4015.628866	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M-2H+Na"	20.974666
"863522"	1352.526066	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-2H+Na"	20.974666
"1630622"	1352.526066	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Na-2H"	20.974666
"100590"	1348.532463	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M-H+Cl"	33.962126
"547806"	2014.308163	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M-H+Cl"	33.962126
"939133"	682.756763	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-H+Cl"	33.962126
"278784"	2698.072202	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+Cl"	34.969402
"674976"	4029.623602	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+Cl"	34.969402
"1281434"	1366.520802	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Cl"	34.969402
"27269"	2700.051406	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M-2H+K"	36.948606
"464644"	4031.602806	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M-2H+K"	36.948606
"842448"	1368.500006	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-2H+K"	36.948606
"1563749"	1368.500006	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+K-2H"	36.948606
"947258"	1376.549594	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-H+HCOOH"	44.998194
"369847"	2708.101001	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+HCOOH-H"	44.998201
"349355"	2722.116651	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+Hac-H"	59.013851
"1500377"	1390.565251	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Hac-H"	59.013851
"965731"	1398.531551	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-H+NaCOOH"	66.980151
"114640"	1366.520802	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+2Cl"	69.938804
"555294"	2032.296502	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+2Cl"	69.938804
"1027374"	700.745102	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2Cl"	69.938804
"1249140"	1410.470285	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Br"	78.918885
"1308308"	1412.526272	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Cl+HCOOH"	80.974872
"1323983"	1434.508229	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Cl+NaCOOH"	102.956829
"920146"	1444.536986	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M-H+CF3COOH"	112.985586
"1294667"	1480.513664	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Cl+CF3COOH"	148.962264
"1370276"	1296.538724	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H-2H2O"	-35.012676
"1388138"	1314.5487	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H-H2O"	-17.0027
"292199"	2664.110076	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+H"	1.007276
"685715"	3995.661476	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+H"	1.007276
"1359878"	1332.558676	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H"	1.007276
"137144"	1332.558676	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+2H"	2.014552
"578893"	1998.334376	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+2H"	2.014552
"1045504"	666.782976	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2H"	2.014552
"215590"	888.708209333333	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+3H"	3.021828
"654058"	1332.558676	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+3H"	3.021828
"1175464"	444.857742666667	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+3H"	3.021828
"436551"	2681.136623	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+NH4"	18.033823
"795358"	4012.688023	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+NH4"	18.033823
"1692419"	1349.585223	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+NH4"	18.033823
"339966"	1341.0719495	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+H+NH4"	19.041099
"732391"	2006.8476495	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+H+NH4"	19.041099
"1489491"	675.2962495	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H+NH4"	19.041099
"403797"	2686.092018	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+Na"	22.989218
"766977"	4017.643418	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+Na"	22.989218
"1616895"	1354.540618	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Na"	22.989218
"328756"	1343.549647	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+H+Na"	23.996494
"720811"	2009.325347	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+H+Na"	23.996494
"1474631"	677.773947	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H+Na"	23.996494
"1058034"	452.185056666667	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2H+Na"	25.00377
"1269564"	1364.584886	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+CH3OH+H"	33.033486
"388141"	2702.065958	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+K"	38.963158
"749135"	4033.617358	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+K"	38.963158
"1548999"	1370.514558	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+K"	38.963158
"305081"	1351.536617	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+H+K"	39.970434
"694222"	2017.312317	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+H+K"	39.970434
"1448041"	685.760917	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H+K"	39.970434
"239927"	2705.136626	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+ACN+H"	42.033826
"1211537"	1373.585226	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+ACN+H"	42.033826
"1199797"	687.296251	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+ACN+2H"	43.041102
"194855"	2708.07396	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+2Na-H"	44.97116
"630766"	4039.62536	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+2Na-H"	44.97116
"1133554"	1376.52256	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2Na-H"	44.97116
"181221"	1354.540618	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+2Na"	45.978436
"616408"	2020.316318	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+2Na"	45.978436
"1126478"	688.764918	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2Na"	45.978436
"1406721"	459.512370666667	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H+2Na"	46.985712
"1435555"	1378.564146	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H+HCOOH"	47.012746
"232906"	1359.57364	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+3H2O+2H"	56.04448
"1522061"	1392.61619	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+IsoProp+H"	61.06479
"416280"	1362.527588	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+Na+K"	61.952376
"782384"	2028.303288	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+Na+K"	61.952376
"1676893"	696.751888	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Na+K"	61.952376
"260133"	2727.118568	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+ACN+Na"	64.015768
"1239042"	1395.567168	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+ACN+Na"	64.015768
"1722824"	1395.590693	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+NH4+HCOOH"	64.039293
"1181619"	466.839684666667	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+3Na"	68.967654
"1650778"	1400.546088	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Na+HCOOH"	68.994688
"157194"	2740.02184	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+2K-H"	76.91904
"597444"	4071.57324	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+2K-H"	76.91904
"1085116"	1408.47044	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2K-H"	76.91904
"144363"	1370.514558	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"2M+2K"	77.926316
"586841"	2036.290258	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"3M+2K"	77.926316
"1072080"	704.738858	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2K"	77.926316
"1105655"	1410.484992	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2K+H"	78.933592
"1340581"	1410.572607	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+DMSO+H"	79.021207
"1007286"	1414.611776	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2ACN+H"	83.060376
"1531612"	1415.605408	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+IsoProp+Na+H"	84.054008
"993683"	707.809526	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+2ACN+2H"	84.067652
"1588186"	1416.520028	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+K+HCOOH"	84.968628
"1417127"	1446.551538	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+H+CF3COOH"	115.000138
"1147537"	728.322801	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+3ACN+2H"	125.094202
"1712279"	1463.578085	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+NH4+CF3COOH"	132.026685
"1640277"	1468.53348	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+Na+CF3COOH"	136.98208
"1577020"	1484.50742	"C04665"	"Co-Methyl-5-hydroxybenzimidazolylcobamide"	"C61H87CoN13O15P"	"1331.5514"	"M+K+CF3COOH"	152.95602
"805199"	238.0355	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M"	0
"978731"	219.01711	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-H2O-H"	-19.01839
"64786"	157.683057333333	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M-3H"	-3.021828
"512003"	237.028224	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M-3H"	-3.021828
"893455"	78.3378906666667	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-3H"	-3.021828
"11665"	237.028224	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M-2H"	-2.014552
"450131"	356.045974	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M-2H"	-2.014552
"826838"	118.010474	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-2H"	-2.014552
"83551"	475.063724	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M-H"	-1.007276
"530767"	713.099224	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M-H"	-1.007276
"899821"	237.028224	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-H"	-1.007276
"52010"	492.090271	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M-2H+NH4"	16.019271
"494852"	730.125771	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M-2H+NH4"	16.019271
"871561"	254.054771	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-2H+NH4"	16.019271
"40554"	497.045666	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M-2H+Na"	20.974666
"483396"	735.081166	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M-2H+Na"	20.974666
"859011"	259.010166	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-2H+Na"	20.974666
"1630732"	259.010166	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Na-2H"	20.974666
"100700"	255.016563	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M-H+Cl"	33.962126
"544636"	374.034313	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M-H+Cl"	33.962126
"938150"	135.998813	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-H+Cl"	33.962126
"278894"	511.040402	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+Cl"	34.969402
"672659"	749.075902	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+Cl"	34.969402
"1278992"	273.004902	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Cl"	34.969402
"25195"	513.019606	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M-2H+K"	36.948606
"465847"	751.055106	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M-2H+K"	36.948606
"841466"	274.984106	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-2H+K"	36.948606
"1566046"	274.984106	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+K-2H"	36.948606
"950649"	283.033694	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-H+HCOOH"	44.998194
"369595"	521.069201	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+HCOOH-H"	44.998201
"352748"	535.084851	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+Hac-H"	59.013851
"1499396"	297.049351	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Hac-H"	59.013851
"966935"	305.015651	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-H+NaCOOH"	66.980151
"113658"	273.004902	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+2Cl"	69.938804
"555405"	392.022652	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+2Cl"	69.938804
"1026392"	153.987152	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2Cl"	69.938804
"1248158"	316.954385	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Br"	78.918885
"1310607"	319.010372	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Cl+HCOOH"	80.974872
"1325916"	340.992329	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Cl+NaCOOH"	102.956829
"920256"	351.021086	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M-H+CF3COOH"	112.985586
"1293318"	386.997764	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Cl+CF3COOH"	148.962264
"1368926"	203.022824	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H-2H2O"	-35.012676
"1390435"	221.0328	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H-H2O"	-17.0027
"292309"	477.078276	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+H"	1.007276
"684733"	715.113776	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+H"	1.007276
"1361082"	239.042776	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H"	1.007276
"137982"	239.042776	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+2H"	2.014552
"578275"	358.060526	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+2H"	2.014552
"1045615"	120.025026	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2H"	2.014552
"211327"	159.697609333333	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+3H"	3.021828
"654168"	239.042776	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+3H"	3.021828
"1175576"	80.3524426666667	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+3H"	3.021828
"437753"	494.104823	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+NH4"	18.033823
"799115"	732.140323	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+NH4"	18.033823
"1689613"	256.069323	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+NH4"	18.033823
"342265"	247.5560495	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+H+NH4"	19.041099
"731407"	366.5737995	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+H+NH4"	19.041099
"1489600"	128.5382995	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H+NH4"	19.041099
"404998"	499.060218	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+Na"	22.989218
"764901"	737.095718	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+Na"	22.989218
"1615910"	261.024718	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Na"	22.989218
"328745"	250.033747	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+H+Na"	23.996494
"720921"	369.051497	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+H+Na"	23.996494
"1474740"	131.015997	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H+Na"	23.996494
"1060330"	87.6797566666667	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2H+Na"	25.00377
"1269674"	271.068986	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+CH3OH+H"	33.033486
"386065"	515.034158	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+K"	38.963158
"744873"	753.069658	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+K"	38.963158
"1544735"	276.998658	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+K"	38.963158
"302275"	258.020717	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+H+K"	39.970434
"695426"	377.038467	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+H+K"	39.970434
"1448151"	139.002967	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H+K"	39.970434
"237122"	518.104826	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+ACN+H"	42.033826
"1211888"	280.069326	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+ACN+H"	42.033826
"1196263"	140.538301	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+ACN+2H"	43.041102
"193143"	521.04216	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+2Na-H"	44.97116
"629904"	759.07766	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+2Na-H"	44.97116
"1135851"	283.00666	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2Na-H"	44.97116
"182061"	261.024718	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+2Na"	45.978436
"619799"	380.042468	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+2Na"	45.978436
"1124400"	142.006968	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2Na"	45.978436
"1404644"	95.0070706666667	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H+2Na"	46.985712
"1438946"	285.048246	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H+HCOOH"	47.012746
"228643"	266.05774	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+3H2O+2H"	56.04448
"1515611"	299.10029	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+IsoProp+H"	61.06479
"414203"	269.011688	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+Na+K"	61.952376
"783952"	388.029438	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+Na+K"	61.952376
"1679922"	149.993938	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Na+K"	61.952376
"262433"	540.086768	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+ACN+Na"	64.015768
"1239152"	302.051268	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+ACN+Na"	64.015768
"1725121"	302.074793	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+NH4+HCOOH"	64.039293
"1181728"	102.334384666667	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+3Na"	68.967654
"1657087"	307.030188	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Na+HCOOH"	68.994688
"159574"	552.99004	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+2K-H"	76.91904
"601322"	791.02554	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+2K-H"	76.91904
"1088021"	314.95454	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2K-H"	76.91904
"144837"	276.998658	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"2M+2K"	77.926316
"587680"	396.016408	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"3M+2K"	77.926316
"1071461"	157.980908	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2K"	77.926316
"1105401"	316.969092	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2K+H"	78.933592
"1341784"	317.056707	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+DMSO+H"	79.021207
"1009220"	321.095876	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2ACN+H"	83.060376
"1532815"	322.089508	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+IsoProp+Na+H"	84.054008
"997074"	161.051576	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+2ACN+2H"	84.067652
"1588660"	323.004128	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+K+HCOOH"	84.968628
"1417237"	353.035638	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+H+CF3COOH"	115.000138
"1148619"	181.564851	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+3ACN+2H"	125.094202
"1712389"	370.062185	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+NH4+CF3COOH"	132.026685
"1641480"	375.01758	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+Na+CF3COOH"	136.98208
"1577130"	390.99152	"C04666"	"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate;D-erythro-Imidazole-glycerol 3-phosphate;D-erythro-Imidazole-glycerol phosphate"	"C6H11N2O6P"	"238.0355"	"M+K+CF3COOH"	152.95602
"815885"	158.0579	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M"	0
"987958"	139.03951	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-H2O-H"	-19.01839
"78385"	104.364657333333	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M-3H"	-3.021828
"513215"	157.050624	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M-3H"	-3.021828
"888829"	51.6786906666667	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-3H"	-3.021828
"10683"	157.050624	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M-2H"	-2.014552
"450245"	236.079574	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M-2H"	-2.014552
"828047"	78.021674	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-2H"	-2.014552
"92777"	315.108524	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M-H"	-1.007276
"531609"	473.166424	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M-H"	-1.007276
"906494"	157.050624	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-H"	-1.007276
"59415"	332.135071	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M-2H+NH4"	16.019271
"498243"	490.192971	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M-2H+NH4"	16.019271
"873857"	174.077171	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-2H+NH4"	16.019271
"43946"	337.090466	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M-2H+Na"	20.974666
"483877"	495.148366	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M-2H+Na"	20.974666
"861312"	179.032566	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-2H+Na"	20.974666
"1631940"	179.032566	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Na-2H"	20.974666
"107373"	175.038963	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M-H+Cl"	33.962126
"548027"	254.067913	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M-H+Cl"	33.962126
"940452"	96.010013	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-H+Cl"	33.962126
"280101"	351.085202	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+Cl"	34.969402
"670345"	509.143102	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+Cl"	34.969402
"1280194"	193.027302	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Cl"	34.969402
"26401"	353.064406	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M-2H+K"	36.948606
"469244"	511.122306	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M-2H+K"	36.948606
"842671"	195.006506	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-2H+K"	36.948606
"1566156"	195.006506	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+K-2H"	36.948606
"948573"	203.056094	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-H+HCOOH"	44.998194
"367884"	361.114001	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+HCOOH-H"	44.998201
"348123"	375.129651	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+Hac-H"	59.013851
"1493546"	217.071751	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Hac-H"	59.013851
"961944"	225.038051	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-H+NaCOOH"	66.980151
"114863"	193.027302	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+2Cl"	69.938804
"555515"	272.056252	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+2Cl"	69.938804
"1030879"	113.998352	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2Cl"	69.938804
"1253374"	236.976785	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Br"	78.918885
"1312904"	239.032772	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Cl+HCOOH"	80.974872
"1328214"	261.014729	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Cl+NaCOOH"	102.956829
"918179"	271.043486	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M-H+CF3COOH"	112.985586
"1300354"	307.020164	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Cl+CF3COOH"	148.962264
"1377423"	123.045224	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H-2H2O"	-35.012676
"1396743"	141.0552	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H-H2O"	-17.0027
"297281"	317.123076	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+H"	1.007276
"690434"	475.180976	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+H"	1.007276
"1366898"	159.065176	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H"	1.007276
"141102"	159.065176	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+2H"	2.014552
"578018"	238.094126	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+2H"	2.014552
"1049005"	80.036226	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2H"	2.014552
"219829"	106.379209333333	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+3H"	3.021828
"658655"	159.065176	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+3H"	3.021828
"1176414"	53.6932426666667	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+3H"	3.021828
"437864"	334.149623	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+NH4"	18.033823
"801048"	492.207523	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+NH4"	18.033823
"1695918"	176.091723	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+NH4"	18.033823
"344198"	167.5784495	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+H+NH4"	19.041099
"735527"	246.6073995	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+H+NH4"	19.041099
"1490439"	88.5494995	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H+NH4"	19.041099
"405109"	339.105018	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+Na"	22.989218
"767198"	497.162918	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+Na"	22.989218
"1617481"	181.047118	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Na"	22.989218
"328614"	170.056147	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+H+Na"	23.996494
"721031"	249.085097	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+H+Na"	23.996494
"1474492"	91.027197	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H+Na"	23.996494
"1056080"	61.0205566666667	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2H+Na"	25.00377
"1261040"	191.091386	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+CH3OH+H"	33.033486
"381799"	355.078958	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+K"	38.963158
"742792"	513.136858	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+K"	38.963158
"1545939"	197.021058	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+K"	38.963158
"302022"	178.043117	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+H+K"	39.970434
"695539"	257.072067	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+H+K"	39.970434
"1447534"	99.014167	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H+K"	39.970434
"239056"	358.149626	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+ACN+H"	42.033826
"1211764"	200.091726	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+ACN+H"	42.033826
"1195768"	100.549501	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+ACN+2H"	43.041102
"198365"	361.08696	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+2Na-H"	44.97116
"639020"	519.14486	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+2Na-H"	44.97116
"1139246"	203.02906	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2Na-H"	44.97116
"181443"	181.047118	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+2Na"	45.978436
"622101"	260.076068	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+2Na"	45.978436
"1125606"	102.018168	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2Na"	45.978436
"1405849"	68.3478706666667	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H+2Na"	46.985712
"1440155"	205.070646	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H+HCOOH"	47.012746
"229850"	186.08014	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+3H2O+2H"	56.04448
"1524125"	219.12269	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+IsoProp+H"	61.06479
"423436"	189.034088	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+Na+K"	61.952376
"781520"	268.063038	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+Na+K"	61.952376
"1679306"	110.005138	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Na+K"	61.952376
"265702"	380.131568	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+ACN+Na"	64.015768
"1240357"	222.073668	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+ACN+Na"	64.015768
"1719764"	222.097193	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+NH4+HCOOH"	64.039293
"1186211"	75.6751846666667	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+3Na"	68.967654
"1657198"	227.052588	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Na+HCOOH"	68.994688
"162237"	393.03484	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+2K-H"	76.91904
"602526"	551.09274	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+2K-H"	76.91904
"1094694"	234.97694	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2K-H"	76.91904
"149324"	197.021058	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"2M+2K"	77.926316
"588882"	276.050008	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"3M+2K"	77.926316
"1077772"	117.992108	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2K"	77.926316
"1103325"	236.991492	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2K+H"	78.933592
"1345175"	237.079107	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+DMSO+H"	79.021207
"1012613"	241.118276	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2ACN+H"	83.060376
"1535117"	242.111908	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+IsoProp+Na+H"	84.054008
"998283"	121.062776	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+2ACN+2H"	84.067652
"1598252"	243.026528	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+K+HCOOH"	84.968628
"1421725"	273.058038	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+H+CF3COOH"	115.000138
"1161495"	141.576051	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+3ACN+2H"	125.094202
"1708129"	290.084585	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+NH4+CF3COOH"	132.026685
"1649571"	295.03998	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+Na+CF3COOH"	136.98208
"1584896"	311.01392	"C04670"	"(1S4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate"	"C7H10O4"	"158.0579"	"M+K+CF3COOH"	152.95602
"805420"	352.225	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M"	0
"978952"	333.20661	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"76673"	233.809390666667	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"516603"	351.217724	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"886751"	116.401057333333	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"8605"	351.217724	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"445977"	527.330224	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"825966"	175.105224	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"84865"	703.442724	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"525521"	1055.667724	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"898948"	351.217724	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"57699"	720.469271	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"489606"	1072.694271	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"867407"	368.244271	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"40776"	725.424666	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"483620"	1077.649666	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"861423"	373.199666	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1630955"	373.199666	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"106389"	369.206063	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"545951"	545.318563	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"941655"	193.093563	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"280211"	739.419402	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"672641"	1091.644402	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1282855"	387.194402	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"26512"	741.398606	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"467168"	1093.623606	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"846788"	389.173606	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1568088"	389.173606	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"951962"	397.223194	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"370181"	749.448201	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"347140"	763.463851	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1495237"	411.238851	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"962051"	419.205151	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"114969"	387.194402	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"550882"	563.306902	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1026612"	211.081902	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1247287"	431.143885	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1307911"	433.199872	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1323950"	455.181829	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"918289"	465.210586	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1293903"	501.187264	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1374253"	317.212324	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1392843"	335.2223	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"294716"	705.457276	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"691328"	1057.682276	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1366918"	353.232276	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H"	1.007276
"140999"	353.232276	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"581337"	529.344776	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1050208"	177.119776	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"219653"	235.823942666667	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"659131"	353.232276	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1174701"	118.415609333333	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"437609"	722.483823	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"801121"	1074.708823	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1696031"	370.258823	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"343947"	361.7455495	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"737703"	537.8580495	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1491279"	185.6330495	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"406677"	727.439218	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"768401"	1079.664218	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1618243"	375.214218	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"329453"	364.223247	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"720777"	540.335747	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1476833"	188.110747	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1056190"	125.742923333333	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1258598"	385.258486	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"382275"	743.413158	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"742903"	1095.638158	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1547142"	391.188158	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+K"	38.963158
"303226"	372.210217	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"697832"	548.322717	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1447280"	196.097717	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"236979"	746.483826	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1210334"	394.258826	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1197214"	197.633051	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"195193"	749.42116	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"635846"	1101.64616	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1136071"	397.19616	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"183736"	375.214218	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"623305"	551.326718	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1125715"	199.101718	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1410331"	133.070237333333	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1438076"	399.237746	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"227769"	380.24724	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1523005"	413.28979	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"422088"	383.201188	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"784541"	559.313688	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1680145"	207.088688	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"266177"	768.465768	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1239250"	416.240768	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1719874"	416.264293	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1187414"	140.397551333333	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1657308"	421.219688	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"159067"	781.36904	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"600449"	1133.59404	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1086784"	429.14404	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"144695"	391.188158	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"586804"	567.300658	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1073504"	215.075658	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1103435"	431.158592	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1345285"	431.246207	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1009444"	435.285376	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1531941"	436.279008	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"998393"	218.146326	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1599455"	437.193628	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1421835"	467.225138	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1161969"	238.659601	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1706052"	484.251685	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1649831"	489.20708	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1585006"	505.18102	"C04671"	"(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprostanoate"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"805530"	292.2038	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M"	0
"979062"	273.18541	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"74961"	193.795257333333	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"514525"	291.196524	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"886861"	96.3939906666667	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"8715"	291.196524	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"447181"	437.298424	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"824983"	145.094624	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"84975"	583.400324	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"525631"	875.604124	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"897965"	291.196524	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"55622"	600.426871	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"489716"	892.630671	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"867517"	308.223071	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"40886"	605.382266	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"481543"	897.586066	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"859347"	313.178466	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1628878"	313.178466	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"107227"	309.184863	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"546061"	455.286763	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"937388"	163.082963	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"281413"	619.377002	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"675387"	911.580802	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1282965"	327.173202	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"26622"	621.356206	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"467278"	913.560006	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"847626"	329.152406	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1568197"	329.152406	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"952072"	337.201994	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"371020"	629.405801	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"347249"	643.421451	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1493526"	351.217651	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"959003"	359.183951	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"111068"	327.173202	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"550628"	473.275102	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1022708"	181.071302	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1247396"	371.122685	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1305834"	373.178672	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1324060"	395.160629	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"918399"	405.189386	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1290733"	441.166064	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1374363"	257.191124	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1386391"	275.2011	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"291546"	585.414876	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"687248"	877.618676	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1366917"	293.211076	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"141113"	293.211076	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"581156"	439.312976	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1052263"	147.109176	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"219195"	195.809809333333	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"659241"	293.211076	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1177607"	98.4085426666667	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"438449"	602.441423	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"800905"	894.645223	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1695901"	310.237623	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"344664"	301.7243495	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"736477"	447.8262495	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1490661"	155.6224495	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"406059"	607.396818	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"768878"	899.600618	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1617340"	315.193018	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"329200"	304.202047	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"722226"	450.303947	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1476823"	158.100147	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1058487"	105.735856666667	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1258708"	325.237286	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"379834"	623.370758	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"746294"	915.574558	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1547252"	331.166958	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"303335"	312.189017	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"695757"	458.290917	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1447390"	166.087117	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"237089"	626.441426	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1210404"	334.237626	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1198053"	167.622451	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"195303"	629.37876	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"632674"	921.58256	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1136181"	337.17496	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"181658"	315.193018	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"619031"	461.294918	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1128011"	169.091118	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1408252"	113.063170666667	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1438910"	339.216546	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"228972"	320.22604	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1522143"	353.26859	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"420010"	323.179988	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"784773"	469.281888	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1678430"	177.078088	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"263857"	648.423368	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1237659"	356.219568	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1717068"	356.243093	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1184244"	120.390484666667	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1657418"	361.198488	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"157718"	661.32664	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"598007"	953.53044	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1087622"	369.12284	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"144440"	331.166958	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"585821"	477.268858	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1071428"	185.065058	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1103545"	371.137392	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1343208"	371.225007	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1008461"	375.264176	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1532051"	376.257808	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"998503"	188.135726	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1600294"	377.172428	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1421945"	407.203938	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1162322"	208.649001	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1706162"	424.230485	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1649829"	429.18588	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1585116"	445.15982	"C04672"	"(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoic acid;(9Z15Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;(9Z)-(13S)-1213-Epoxyoctadeca-91115-trienoate;1213(S)-EOT;1213(S)-EOTrE"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"805640"	219.0855	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M"	0
"979172"	200.06711	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-H2O-H"	-19.01839
"75800"	145.049724	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M-3H"	-3.021828
"515364"	218.078224	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M-3H"	-3.021828
"888064"	72.021224	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-3H"	-3.021828
"7732"	218.078224	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M-2H"	-2.014552
"450571"	327.620974	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M-2H"	-2.014552
"828373"	108.535474	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-2H"	-2.014552
"87271"	437.163724	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M-H"	-1.007276
"524648"	656.249224	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M-H"	-1.007276
"905002"	218.078224	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-H"	-1.007276
"55730"	454.190271	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M-2H+NH4"	16.019271
"489825"	673.275771	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M-2H+NH4"	16.019271
"876008"	235.104771	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-2H+NH4"	16.019271
"38808"	459.145666	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M-2H+Na"	20.974666
"483475"	678.231166	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M-2H+Na"	20.974666
"850705"	240.060166	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-2H+Na"	20.974666
"1624612"	240.060166	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Na-2H"	20.974666
"106609"	236.066563	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M-H+Cl"	33.962126
"542887"	345.609313	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M-H+Cl"	33.962126
"938590"	126.523813	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-H+Cl"	33.962126
"277880"	473.140402	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+Cl"	34.969402
"665203"	692.225902	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+Cl"	34.969402
"1281982"	254.054902	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Cl"	34.969402
"29645"	475.119606	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M-2H+K"	36.948606
"465201"	694.205106	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M-2H+K"	36.948606
"847697"	256.034106	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-2H+K"	36.948606
"1569765"	256.034106	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+K-2H"	36.948606
"952182"	264.083694	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-H+HCOOH"	44.998194
"372952"	483.169201	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+HCOOH-H"	44.998201
"349911"	497.184851	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+Hac-H"	59.013851
"1497649"	278.099351	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Hac-H"	59.013851
"961181"	286.065651	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-H+NaCOOH"	66.980151
"112274"	254.054902	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+2Cl"	69.938804
"551833"	363.597652	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+2Cl"	69.938804
"1022131"	144.512152	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2Cl"	69.938804
"1245683"	298.004385	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Br"	78.918885
"1305580"	300.060372	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Cl+HCOOH"	80.974872
"1324169"	322.042329	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Cl+NaCOOH"	102.956829
"917415"	332.071086	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M-H+CF3COOH"	112.985586
"1294123"	368.047764	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Cl+CF3COOH"	148.962264
"1374473"	184.072824	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H-2H2O"	-35.012676
"1388688"	202.0828	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H-H2O"	-17.0027
"294936"	439.178276	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+H"	1.007276
"690519"	658.263776	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+H"	1.007276
"1365534"	220.092776	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H"	1.007276
"139883"	220.092776	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+2H"	2.014552
"580535"	329.635526	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+2H"	2.014552
"1052626"	110.550026	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2H"	2.014552
"219797"	147.064276	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+3H"	3.021828
"659718"	220.092776	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+3H"	3.021828
"1178210"	74.035776	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+3H"	3.021828
"438805"	456.204823	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+NH4"	18.033823
"800286"	675.290323	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+NH4"	18.033823
"1696378"	237.119323	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+NH4"	18.033823
"344413"	228.6060495	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+H+NH4"	19.041099
"737320"	338.1487995	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+H+NH4"	19.041099
"1491502"	119.0632995	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H+NH4"	19.041099
"406899"	461.160218	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+Na"	22.989218
"769112"	680.245718	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+Na"	22.989218
"1615993"	242.074718	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Na"	22.989218
"327729"	231.083747	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+H+Na"	23.996494
"719176"	340.626497	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+H+Na"	23.996494
"1476981"	121.540997	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H+Na"	23.996494
"1062972"	81.36309	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2H+Na"	25.00377
"1259547"	252.118986	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+CH3OH+H"	33.033486
"381034"	477.134158	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+K"	38.963158
"745309"	696.219658	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+K"	38.963158
"1544083"	258.048658	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+K"	38.963158
"303447"	239.070717	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+H+K"	39.970434
"694774"	348.613467	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+H+K"	39.970434
"1447864"	129.527967	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H+K"	39.970434
"237198"	480.204826	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+ACN+H"	42.033826
"1213189"	261.119326	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+ACN+H"	42.033826
"1195979"	131.063301	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+ACN+2H"	43.041102
"195413"	483.14216	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+2Na-H"	44.97116
"636066"	702.22766	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+2Na-H"	44.97116
"1135197"	264.05666	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2Na-H"	44.97116
"178488"	242.074718	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+2Na"	45.978436
"614887"	351.617468	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+2Na"	45.978436
"1129216"	132.531968	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2Na"	45.978436
"1408362"	88.690404	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H+2Na"	46.985712
"1437198"	266.098246	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H+HCOOH"	47.012746
"227989"	247.10774	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+3H2O+2H"	56.04448
"1522619"	280.15029	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+IsoProp+H"	61.06479
"422302"	250.061688	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+Na+K"	61.952376
"780016"	359.604438	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+Na+K"	61.952376
"1678541"	140.518938	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Na+K"	61.952376
"266034"	502.186768	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+ACN+Na"	64.015768
"1236676"	283.101268	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+ACN+Na"	64.015768
"1717178"	283.124793	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+NH4+HCOOH"	64.039293
"1184354"	96.017718	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+3Na"	68.967654
"1657528"	288.080188	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Na+HCOOH"	68.994688
"157462"	515.09004	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+2K-H"	76.91904
"597428"	734.17554	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+2K-H"	76.91904
"1087733"	296.00454	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2K-H"	76.91904
"144550"	258.048658	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"2M+2K"	77.926316
"582651"	367.591408	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"3M+2K"	77.926316
"1077005"	148.505908	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2K"	77.926316
"1102561"	298.019092	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2K+H"	78.933592
"1337851"	298.106707	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+DMSO+H"	79.021207
"1014039"	302.145876	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2ACN+H"	83.060376
"1534349"	303.139508	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+IsoProp+Na+H"	84.054008
"997518"	151.576576	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+2ACN+2H"	84.067652
"1594208"	304.054128	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+K+HCOOH"	84.968628
"1427523"	334.085638	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+H+CF3COOH"	115.000138
"1152344"	172.089851	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+3ACN+2H"	125.094202
"1706270"	351.112185	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+NH4+CF3COOH"	132.026685
"1647389"	356.06758	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+Na+CF3COOH"	136.98208
"1578665"	372.04152	"C04673"	"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol;Amidino-3-keto-scyllo-inosamine"	"C7H13N3O5"	"219.0855"	"M+K+CF3COOH"	152.95602
"805750"	515.0251	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M"	0
"979282"	496.00671	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-H2O-H"	-19.01839
"75181"	342.342790666667	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M-3H"	-3.021828
"515838"	514.017824	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M-3H"	-3.021828
"887082"	170.667757333333	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-3H"	-3.021828
"11123"	514.017824	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M-2H"	-2.014552
"453961"	771.530374	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M-2H"	-2.014552
"828483"	256.505274	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-2H"	-2.014552
"87381"	1029.042924	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M-H"	-1.007276
"522571"	1544.068024	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M-H"	-1.007276
"903653"	514.017824	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-H"	-1.007276
"58756"	1046.069471	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M-2H+NH4"	16.019271
"489935"	1561.094571	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M-2H+NH4"	16.019271
"877575"	531.044371	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-2H+NH4"	16.019271
"38918"	1051.024866	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M-2H+Na"	20.974666
"481761"	1566.049966	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M-2H+Na"	20.974666
"850815"	535.999766	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-2H+Na"	20.974666
"1623628"	535.999766	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Na-2H"	20.974666
"107447"	532.006163	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M-H+Cl"	33.962126
"545184"	789.518713	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M-H+Cl"	33.962126
"940159"	274.493613	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-H+Cl"	33.962126
"279083"	1065.019602	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+Cl"	34.969402
"665311"	1580.044702	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+Cl"	34.969402
"1278080"	549.994502	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Cl"	34.969402
"27928"	1066.998806	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M-2H+K"	36.948606
"467489"	1582.023906	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M-2H+K"	36.948606
"847485"	551.973706	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-2H+K"	36.948606
"1569874"	551.973706	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+K-2H"	36.948606
"952289"	560.023294	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-H+HCOOH"	44.998194
"374152"	1075.048401	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+HCOOH-H"	44.998201
"356578"	1089.064051	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+Hac-H"	59.013851
"1499944"	574.038951	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Hac-H"	59.013851
"967486"	582.005251	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-H+NaCOOH"	66.980151
"112019"	549.994502	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+2Cl"	69.938804
"551580"	807.507052	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+2Cl"	69.938804
"1023658"	292.481952	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2Cl"	69.938804
"1242020"	593.943985	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Br"	78.918885
"1306782"	595.999972	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Cl+HCOOH"	80.974872
"1324277"	617.981929	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Cl+NaCOOH"	102.956829
"916429"	628.010686	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M-H+CF3COOH"	112.985586
"1289857"	663.987364	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Cl+CF3COOH"	148.962264
"1370206"	480.012424	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H-2H2O"	-35.012676
"1386610"	498.0224	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H-H2O"	-17.0027
"292857"	1031.057476	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+H"	1.007276
"684185"	1546.082576	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+H"	1.007276
"1364915"	516.032376	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H"	1.007276
"140602"	516.032376	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+2H"	2.014552
"580524"	773.544926	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+2H"	2.014552
"1052367"	258.519826	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2H"	2.014552
"219502"	344.357342666667	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+3H"	3.021828
"659629"	516.032376	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+3H"	3.021828
"1178336"	172.682309333333	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+3H"	3.021828
"438793"	1048.084023	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+NH4"	18.033823
"800767"	1563.109123	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+NH4"	18.033823
"1696246"	533.058923	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+NH4"	18.033823
"344277"	524.5456495	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+H+NH4"	19.041099
"737791"	782.0581995	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+H+NH4"	19.041099
"1492231"	267.0330995	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H+NH4"	19.041099
"407861"	1053.039418	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+Na"	22.989218
"769227"	1568.064518	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+Na"	22.989218
"1618013"	538.014318	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Na"	22.989218
"329300"	527.023347	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+H+Na"	23.996494
"720377"	784.535897	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+H+Na"	23.996494
"1476201"	269.510797	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H+Na"	23.996494
"1063082"	180.009623333333	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2H+Na"	25.00377
"1261843"	548.058586	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+CH3OH+H"	33.033486
"381145"	1069.013358	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+K"	38.963158
"745418"	1584.038458	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+K"	38.963158
"1545286"	553.988258	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+K"	38.963158
"302464"	535.010317	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+H+K"	39.970434
"695977"	792.522867	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+H+K"	39.970434
"1449795"	277.497767	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H+K"	39.970434
"238765"	1072.084026	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+ACN+H"	42.033826
"1214390"	557.058926	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+ACN+H"	42.033826
"1199369"	279.033101	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+ACN+2H"	43.041102
"196617"	1075.02136	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+2Na-H"	44.97116
"636176"	1590.04646	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+2Na-H"	44.97116
"1137493"	559.99626	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2Na-H"	44.97116
"180784"	538.014318	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+2Na"	45.978436
"617062"	795.526868	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+2Na"	45.978436
"1127869"	280.501768	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2Na"	45.978436
"1409565"	187.336937333333	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H+2Na"	46.985712
"1438401"	562.037846	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H+HCOOH"	47.012746
"231379"	543.04734	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+3H2O+2H"	56.04448
"1519444"	576.08989	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+IsoProp+H"	61.06479
"420226"	546.001288	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+Na+K"	61.952376
"780126"	803.513838	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+Na+K"	61.952376
"1677558"	288.488738	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Na+K"	61.952376
"262984"	1094.065968	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+ACN+Na"	64.015768
"1236786"	579.040868	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+ACN+Na"	64.015768
"1717289"	579.064393	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+NH4+HCOOH"	64.039293
"1183736"	194.664251333333	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+3Na"	68.967654
"1660918"	584.019788	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Na+HCOOH"	68.994688
"158668"	1106.96924	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+2K-H"	76.91904
"598228"	1621.99434	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+2K-H"	76.91904
"1086021"	591.94414	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2K-H"	76.91904
"141538"	553.988258	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"2M+2K"	77.926316
"582274"	811.500808	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"3M+2K"	77.926316
"1077115"	296.475708	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2K"	77.926316
"1100484"	593.958692	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2K+H"	78.933592
"1336015"	594.046307	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+DMSO+H"	79.021207
"1013056"	598.085476	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2ACN+H"	83.060376
"1531179"	599.079108	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+IsoProp+Na+H"	84.054008
"996535"	299.546376	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+2ACN+2H"	84.067652
"1595411"	599.993728	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+K+HCOOH"	84.968628
"1428727"	630.025238	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+H+CF3COOH"	115.000138
"1152454"	320.059651	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+3ACN+2H"	125.094202
"1704193"	647.051785	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+NH4+CF3COOH"	132.026685
"1649568"	652.00718	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+Na+CF3COOH"	136.98208
"1578775"	667.98112	"C04674"	"3-D-Glucuronosyl-N26-disulfo-beta-D-glucosamine"	"C12H21NO17S2"	"515.0251"	"M+K+CF3COOH"	152.95602
"805860"	979.2201	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M"	0
"979392"	960.20171	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-H2O-H"	-19.01839
"72010"	651.806124	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M-3H"	-3.021828
"509388"	978.212824	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M-3H"	-3.021828
"888285"	325.399424	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-3H"	-3.021828
"5766"	978.212824	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M-2H"	-2.014552
"448605"	1467.822874	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M-2H"	-2.014552
"826407"	488.602774	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-2H"	-2.014552
"85305"	1957.432924	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M-H"	-1.007276
"527056"	2936.653024	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M-H"	-1.007276
"902670"	978.212824	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-H"	-1.007276
"58137"	1974.459471	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M-2H+NH4"	16.019271
"498790"	2953.679571	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M-2H+NH4"	16.019271
"874405"	995.239371	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-2H+NH4"	16.019271
"39028"	1979.414866	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M-2H+Na"	20.974666
"472393"	2958.634966	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M-2H+Na"	20.974666
"852018"	1000.194766	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-2H+Na"	20.974666
"1627018"	1000.194766	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Na-2H"	20.974666
"98080"	996.201163	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M-H+Cl"	33.962126
"540919"	1485.811213	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M-H+Cl"	33.962126
"935530"	506.591113	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-H+Cl"	33.962126
"276275"	1993.409602	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+Cl"	34.969402
"661046"	2972.629702	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+Cl"	34.969402
"1275274"	1014.189502	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Cl"	34.969402
"20383"	1995.388806	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M-2H+K"	36.948606
"463224"	2974.608906	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M-2H+K"	36.948606
"847960"	1016.168706	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-2H+K"	36.948606
"1569256"	1016.168706	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+K-2H"	36.948606
"953492"	1024.218294	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-H+HCOOH"	44.998194
"371346"	2003.438401	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+HCOOH-H"	44.998201
"355595"	2017.454051	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+Hac-H"	59.013851
"1502241"	1038.233951	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Hac-H"	59.013851
"967596"	1046.200251	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-H+NaCOOH"	66.980151
"112127"	1014.189502	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+2Cl"	69.938804
"552054"	1503.799552	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+2Cl"	69.938804
"1025229"	524.579452	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2Cl"	69.938804
"1243714"	1058.138985	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Br"	78.918885
"1306527"	1060.194972	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Cl+HCOOH"	80.974872
"1327667"	1082.176929	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Cl+NaCOOH"	102.956829
"916539"	1092.205686	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M-H+CF3COOH"	112.985586
"1294340"	1128.182364	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Cl+CF3COOH"	148.962264
"1370316"	944.207424	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H-2H2O"	-35.012676
"1387813"	962.2174	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H-H2O"	-17.0027
"290780"	1959.447476	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+H"	1.007276
"689761"	2938.667576	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+H"	1.007276
"1366483"	980.227376	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H"	1.007276
"141158"	980.227376	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+2H"	2.014552
"579661"	1469.837426	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+2H"	2.014552
"1052595"	490.617326	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2H"	2.014552
"219885"	653.820676	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+3H"	3.021828
"659489"	980.227376	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+3H"	3.021828
"1178435"	327.413976	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+3H"	3.021828
"434039"	1976.474023	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+NH4"	18.033823
"797951"	2955.694123	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+NH4"	18.033823
"1695374"	997.253923	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+NH4"	18.033823
"343291"	988.7406495	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+H+NH4"	19.041099
"736802"	1478.3506995	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+H+NH4"	19.041099
"1492334"	499.1305995	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H+NH4"	19.041099
"408511"	1981.429418	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+Na"	22.989218
"769735"	2960.649518	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+Na"	22.989218
"1618264"	1002.209318	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Na"	22.989218
"328067"	991.218347	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+H+Na"	23.996494
"720486"	1480.828397	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+H+Na"	23.996494
"1475409"	501.608297	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H+Na"	23.996494
"1055899"	334.74129	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2H+Na"	25.00377
"1259764"	1012.253586	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+CH3OH+H"	33.033486
"380161"	1997.403358	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+K"	38.963158
"740063"	2976.623458	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+K"	38.963158
"1543207"	1018.183258	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+K"	38.963158
"304760"	999.205317	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+H+K"	39.970434
"692805"	1488.815367	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+H+K"	39.970434
"1448811"	509.595267	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H+K"	39.970434
"240698"	2000.474026	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+ACN+H"	42.033826
"1211219"	1021.253926	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+ACN+H"	42.033826
"1199478"	511.130601	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+ACN+2H"	43.041102
"195633"	2003.41136	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+2Na-H"	44.97116
"637379"	2982.63146	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+2Na-H"	44.97116
"1139789"	1024.19126	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2Na-H"	44.97116
"179801"	1002.209318	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+2Na"	45.978436
"617172"	1491.819368	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+2Na"	45.978436
"1125060"	512.599268	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2Na"	45.978436
"1406394"	342.068604	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H+2Na"	46.985712
"1436324"	1026.232846	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H+HCOOH"	47.012746
"228209"	1007.24234	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+3H2O+2H"	56.04448
"1516275"	1040.28489	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+IsoProp+H"	61.06479
"415962"	1010.196288	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+Na+K"	61.952376
"779143"	1499.806338	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+Na+K"	61.952376
"1676573"	520.586238	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Na+K"	61.952376
"263093"	2022.455968	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+ACN+Na"	64.015768
"1234708"	1043.235868	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+ACN+Na"	64.015768
"1717763"	1043.259393	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+NH4+HCOOH"	64.039293
"1183117"	349.395918	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+3Na"	68.967654
"1654832"	1048.214788	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Na+HCOOH"	68.994688
"160600"	2035.35924	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+2K-H"	76.91904
"597974"	3014.57934	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+2K-H"	76.91904
"1086131"	1056.13914	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2K-H"	76.91904
"141971"	1018.183258	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"2M+2K"	77.926316
"582265"	1507.793308	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"3M+2K"	77.926316
"1070666"	528.573208	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2K"	77.926316
"1100102"	1058.153692	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2K+H"	78.933592
"1339166"	1058.241307	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+DMSO+H"	79.021207
"1007700"	1062.280476	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2ACN+H"	83.060376
"1528010"	1063.274108	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+IsoProp+Na+H"	84.054008
"992272"	531.643876	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+2ACN+2H"	84.067652
"1595521"	1064.188728	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+K+HCOOH"	84.968628
"1422275"	1094.220238	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+H+CF3COOH"	115.000138
"1149649"	552.157151	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+3ACN+2H"	125.094202
"1703210"	1111.246785	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+NH4+CF3COOH"	132.026685
"1644328"	1116.20218	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+Na+CF3COOH"	136.98208
"1578885"	1132.17612	"C04675"	"3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA;3-Hydroxy-3-isohexeneylglutaryl-CoA"	"C32H52N7O20P3S"	"979.2201"	"M+K+CF3COOH"	152.95602
"812533"	302.1882	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M"	0
"979504"	283.16981	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"72120"	200.451524	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"514968"	301.180924	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"886208"	99.722124	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"6969"	301.180924	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"448717"	452.275024	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"828706"	150.086824	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"86514"	603.369124	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"526073"	905.557324	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"902781"	301.180924	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"56061"	620.395671	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"496715"	922.583871	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"876703"	318.207471	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"40232"	625.351066	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"472381"	927.539266	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"849940"	323.162866	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1624946"	323.162866	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"101474"	319.169263	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"544314"	470.263363	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"935640"	168.075163	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"276385"	639.345802	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"660783"	941.534002	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1276113"	337.157602	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"23774"	641.325006	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"463334"	943.513206	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"847344"	339.136806	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1570460"	339.136806	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"955429"	347.186394	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"374372"	649.374601	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"350241"	663.390251	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1500167"	361.202051	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"959563"	369.168351	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"111021"	337.157602	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"551065"	488.251702	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1021611"	186.063502	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1242601"	381.107085	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1304686"	383.163072	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1321219"	405.145029	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"915558"	415.173786	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1292266"	451.150464	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1373709"	267.175524	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1390111"	285.1855	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"293078"	605.383676	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"683312"	907.571876	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1365863"	303.195476	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"140211"	303.195476	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"581069"	454.289576	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1051853"	152.101376	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"218664"	202.466076	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"658219"	303.195476	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1177444"	101.736676	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"438160"	622.410223	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"801354"	924.598423	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1694759"	320.222023	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"344860"	311.7087495	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"738449"	462.8028495	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1491103"	160.6146495	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"408524"	627.365618	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"769854"	929.553818	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1618356"	325.177418	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"329518"	314.186447	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"721449"	465.280547	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1474423"	163.092347	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1057831"	109.06399	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1259147"	335.221686	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"379056"	643.339558	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"739931"	945.527758	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1540768"	341.151358	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"300495"	322.173417	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"696199"	473.267517	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1448192"	171.079317	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"244092"	646.410226	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1214615"	344.222026	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1199589"	172.614651	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"196839"	649.34756	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"633118"	951.53576	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1137718"	347.15936	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"176632"	325.177418	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"619475"	476.271518	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1124075"	174.083318	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1406504"	116.391304	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1437525"	349.200946	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"228323"	330.21044	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1518570"	363.25299	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"423125"	333.164388	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"782171"	484.258488	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1676683"	182.070288	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"265394"	668.392168	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1235914"	366.203968	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1718238"	366.227493	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1182133"	123.718618	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1657129"	371.182888	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"163625"	681.29544	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"605376"	983.48364	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1086242"	379.10724	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"141715"	341.151358	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"582131"	492.245458	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1071868"	190.057258	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1102889"	381.121792	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1339275"	381.209407	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1008903"	385.248576	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1524716"	386.242208	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"992380"	193.127926	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1591261"	387.156828	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1418013"	417.188338	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1149392"	213.641201	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1697973"	434.214885	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1636783"	439.17028	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1575715"	455.14422	"C04676"	"Testololactone;3-Oxo-1317-secoandrost-4-ene-1713alpha-lactone"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"806080"	338.0628	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M"	0
"980705"	319.04441	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-H2O-H"	-19.01839
"71137"	224.367924	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M-3H"	-3.021828
"516901"	337.055524	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M-3H"	-3.021828
"887412"	111.680324	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-3H"	-3.021828
"8173"	337.055524	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M-2H"	-2.014552
"448827"	506.086924	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M-2H"	-2.014552
"826629"	168.024124	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-2H"	-2.014552
"87719"	675.118324	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M-H"	-1.007276
"530193"	1013.181124	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M-H"	-1.007276
"906170"	337.055524	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-H"	-1.007276
"58357"	692.144871	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M-2H+NH4"	16.019271
"499010"	1030.207671	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M-2H+NH4"	16.019271
"878635"	354.082071	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-2H+NH4"	16.019271
"40341"	697.100266	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M-2H+Na"	20.974666
"474436"	1035.163066	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M-2H+Na"	20.974666
"850537"	359.037466	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-2H+Na"	20.974666
"1620683"	359.037466	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Na-2H"	20.974666
"103770"	355.043863	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M-H+Cl"	33.962126
"544423"	524.075263	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M-H+Cl"	33.962126
"935750"	186.012463	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-H+Cl"	33.962126
"275402"	711.095002	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+Cl"	34.969402
"660283"	1049.157802	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+Cl"	34.969402
"1274762"	373.032202	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Cl"	34.969402
"23884"	713.074206	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M-2H+K"	36.948606
"466724"	1051.137006	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M-2H+K"	36.948606
"846721"	375.011406	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-2H+K"	36.948606
"1569111"	375.011406	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+K-2H"	36.948606
"956632"	383.060994	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-H+HCOOH"	44.998194
"371930"	721.123801	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+HCOOH-H"	44.998201
"357643"	735.139451	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+Hac-H"	59.013851
"1500278"	397.076651	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Hac-H"	59.013851
"962351"	405.042951	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-H+NaCOOH"	66.980151
"111130"	373.032202	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+2Cl"	69.938804
"551541"	542.063602	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+2Cl"	69.938804
"1022167"	204.000802	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2Cl"	69.938804
"1241903"	416.981685	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Br"	78.918885
"1304801"	419.037672	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Cl+HCOOH"	80.974872
"1324609"	441.019629	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Cl+NaCOOH"	102.956829
"925145"	451.048386	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M-H+CF3COOH"	112.985586
"1291283"	487.025064	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Cl+CF3COOH"	148.962264
"1373819"	303.050124	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H-2H2O"	-35.012676
"1393501"	321.0601	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H-H2O"	-17.0027
"295375"	677.132876	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+H"	1.007276
"686702"	1015.195676	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+H"	1.007276
"1365974"	339.070076	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H"	1.007276
"140932"	339.070076	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+2H"	2.014552
"581186"	508.101476	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+2H"	2.014552
"1051962"	170.038676	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2H"	2.014552
"219020"	226.382476	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+3H"	3.021828
"659711"	339.070076	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+3H"	3.021828
"1177675"	113.694876	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+3H"	3.021828
"438270"	694.159423	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+NH4"	18.033823
"800892"	1032.222223	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+NH4"	18.033823
"1696858"	356.096623	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+NH4"	18.033823
"344606"	347.5833495	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+H+NH4"	19.041099
"738284"	516.6147495	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+H+NH4"	19.041099
"1492434"	178.5519495	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H+NH4"	19.041099
"407710"	699.114818	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+Na"	22.989218
"769640"	1037.177618	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+Na"	22.989218
"1618221"	361.052018	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Na"	22.989218
"329671"	350.061047	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+H+Na"	23.996494
"721560"	519.092447	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+H+Na"	23.996494
"1476523"	181.029647	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H+Na"	23.996494
"1057941"	121.02219	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2H+Na"	25.00377
"1259622"	371.096286	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+CH3OH+H"	33.033486
"379291"	715.088758	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+K"	38.963158
"740286"	1053.151558	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+K"	38.963158
"1542338"	377.025958	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+K"	38.963158
"303887"	358.048017	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+H+K"	39.970434
"696309"	527.079417	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+H+K"	39.970434
"1450127"	189.016617	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H+K"	39.970434
"242014"	718.159426	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+ACN+H"	42.033826
"1215818"	380.096626	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+ACN+H"	42.033826
"1200793"	190.551951	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+ACN+2H"	43.041102
"196949"	721.09676	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+2Na-H"	44.97116
"637602"	1059.15956	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+2Na-H"	44.97116
"1143295"	383.03396	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2Na-H"	44.97116
"178929"	361.052018	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+2Na"	45.978436
"619585"	530.083418	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+2Na"	45.978436
"1126372"	192.020618	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2Na"	45.978436
"1406614"	128.349504	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H+2Na"	46.985712
"1437635"	385.075546	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H+HCOOH"	47.012746
"225146"	366.08504	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+3H2O+2H"	56.04448
"1518676"	399.12759	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+IsoProp+H"	61.06479
"421642"	369.038988	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+Na+K"	61.952376
"783367"	538.070388	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+Na+K"	61.952376
"1678979"	200.007588	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Na+K"	61.952376
"263310"	740.141368	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+ACN+Na"	64.015768
"1237111"	402.078568	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+ACN+Na"	64.015768
"1717984"	402.102093	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+NH4+HCOOH"	64.039293
"1189171"	135.676818	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+3Na"	68.967654
"1660156"	407.057488	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Na+HCOOH"	68.994688
"163008"	753.04464	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+2K-H"	76.91904
"604393"	1091.10744	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+2K-H"	76.91904
"1088904"	414.98184	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2K-H"	76.91904
"142316"	377.025958	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"2M+2K"	77.926316
"582721"	546.057358	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"3M+2K"	77.926316
"1074165"	207.994558	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2K"	77.926316
"1103000"	416.996392	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2K+H"	78.933592
"1339385"	417.084007	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+DMSO+H"	79.021207
"1010107"	421.123176	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2ACN+H"	83.060376
"1526165"	422.116808	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+IsoProp+Na+H"	84.054008
"993584"	211.065226	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+2ACN+2H"	84.067652
"1594651"	423.031428	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+K+HCOOH"	84.968628
"1421404"	453.062938	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+H+CF3COOH"	115.000138
"1150595"	231.578501	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+3ACN+2H"	125.094202
"1700149"	470.089485	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+NH4+CF3COOH"	132.026685
"1636164"	475.04488	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+Na+CF3COOH"	136.98208
"1575825"	491.01882	"C04677"	"1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;5-Phosphoribosyl-5-amino-4-imidazolecarboxamide;5-Phospho-ribosyl-5-amino-4-imidazole carboxamide;AICAR;5-Aminoimidazole-4-carboxamide ribotide;5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide"	"C9H15N4O8P"	"338.0628"	"M+K+CF3COOH"	152.95602
"813851"	349.0715	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M"	0
"979731"	330.05311	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-H2O-H"	-19.01839
"72349"	231.707057333333	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M-3H"	-3.021828
"505346"	348.064224	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M-3H"	-3.021828
"881691"	115.349890666667	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-3H"	-3.021828
"8282"	348.064224	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M-2H"	-2.014552
"445656"	522.599974	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M-2H"	-2.014552
"820906"	173.528474	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-2H"	-2.014552
"80899"	697.135724	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M-H"	-1.007276
"520822"	1046.207224	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M-H"	-1.007276
"896801"	348.064224	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-H"	-1.007276
"47771"	714.162271	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M-2H+NH4"	16.019271
"487696"	1063.233771	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M-2H+NH4"	16.019271
"865012"	365.090771	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-2H+NH4"	16.019271
"32065"	719.117666	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M-2H+Na"	20.974666
"471621"	1068.189166	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M-2H+Na"	20.974666
"849437"	370.046166	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-2H+Na"	20.974666
"1621891"	370.046166	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Na-2H"	20.974666
"101701"	366.052563	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M-H+Cl"	33.962126
"542354"	540.588313	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M-H+Cl"	33.962126
"942559"	191.516813	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-H+Cl"	33.962126
"279902"	733.112402	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+Cl"	34.969402
"667949"	1082.183902	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+Cl"	34.969402
"1281447"	384.040902	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Cl"	34.969402
"29472"	735.091606	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M-2H+K"	36.948606
"462471"	1084.163106	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M-2H+K"	36.948606
"846837"	386.020106	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-2H+K"	36.948606
"1567043"	386.020106	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+K-2H"	36.948606
"951647"	394.069694	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-H+HCOOH"	44.998194
"369863"	743.141201	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+HCOOH-H"	44.998201
"347548"	757.156851	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+Hac-H"	59.013851
"1493827"	408.085351	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Hac-H"	59.013851
"965745"	416.051651	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-H+NaCOOH"	66.980151
"114652"	384.040902	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+2Cl"	69.938804
"558586"	558.576652	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+2Cl"	69.938804
"1027386"	209.505152	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2Cl"	69.938804
"1253527"	427.990385	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Br"	78.918885
"1313789"	430.046372	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Cl+HCOOH"	80.974872
"1325816"	452.028329	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Cl+NaCOOH"	102.956829
"923439"	462.057086	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M-H+CF3COOH"	112.985586
"1297959"	498.033764	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Cl+CF3COOH"	148.962264
"1379401"	314.058824	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H-2H2O"	-35.012676
"1390336"	332.0688	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H-H2O"	-17.0027
"298409"	699.150276	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+H"	1.007276
"685725"	1048.221776	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+H"	1.007276
"1364262"	350.078776	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H"	1.007276
"134963"	350.078776	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+2H"	2.014552
"572336"	524.614526	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+2H"	2.014552
"1052071"	175.543026	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2H"	2.014552
"216691"	233.721609333333	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+3H"	3.021828
"659170"	350.078776	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+3H"	3.021828
"1173283"	117.364442666667	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+3H"	3.021828
"437652"	716.176823	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+NH4"	18.033823
"797553"	1065.248323	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+NH4"	18.033823
"1696316"	367.105323	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+NH4"	18.033823
"345527"	358.5920495	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+H+NH4"	19.041099
"735313"	533.1277995	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+H+NH4"	19.041099
"1488413"	184.0562995	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H+NH4"	19.041099
"401625"	721.132218	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+Na"	22.989218
"762617"	1070.203718	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+Na"	22.989218
"1609620"	372.060718	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Na"	22.989218
"326218"	361.069747	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+H+Na"	23.996494
"718638"	535.605497	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+H+Na"	23.996494
"1470273"	186.533997	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H+Na"	23.996494
"1059145"	124.691756666667	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2H+Na"	25.00377
"1259728"	382.104986	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+CH3OH+H"	33.033486
"380491"	737.106158	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+K"	38.963158
"739301"	1086.177658	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+K"	38.963158
"1542450"	388.034658	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+K"	38.963158
"302911"	369.056717	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+H+K"	39.970434
"696422"	543.592467	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+H+K"	39.970434
"1450245"	194.520967	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H+K"	39.970434
"241034"	740.176826	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+ACN+H"	42.033826
"1215930"	391.105326	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+ACN+H"	42.033826
"1197627"	196.056301	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+ACN+2H"	43.041102
"191225"	743.11416	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+2Na-H"	44.97116
"632974"	1092.18566	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+2Na-H"	44.97116
"1136845"	394.04266	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2Na-H"	44.97116
"181231"	372.060718	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+2Na"	45.978436
"623711"	546.596468	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+2Na"	45.978436
"1125395"	197.524968	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2Na"	45.978436
"1406732"	132.019070666667	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H+2Na"	46.985712
"1437025"	396.084246	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H+HCOOH"	47.012746
"228546"	377.09374	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+3H2O+2H"	56.04448
"1517699"	410.13629	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+IsoProp+H"	61.06479
"415199"	380.047688	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+Na+K"	61.952376
"783856"	554.583438	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+Na+K"	61.952376
"1677999"	205.511938	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Na+K"	61.952376
"265977"	762.158768	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+ACN+Na"	64.015768
"1237226"	413.087268	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+ACN+Na"	64.015768
"1722833"	413.110793	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+NH4+HCOOH"	64.039293
"1190371"	139.346384666667	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+3Na"	68.967654
"1659172"	418.066188	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Na+HCOOH"	68.994688
"170405"	775.06204	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+2K-H"	76.91904
"608873"	1124.13354	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+2K-H"	76.91904
"1092291"	425.99054	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2K-H"	76.91904
"146924"	388.034658	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"2M+2K"	77.926316
"583681"	562.570408	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"3M+2K"	77.926316
"1078648"	213.498908	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2K"	77.926316
"1101166"	428.005092	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2K+H"	78.933592
"1337669"	428.092707	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+DMSO+H"	79.021207
"1007048"	432.131876	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2ACN+H"	83.060376
"1526150"	433.125508	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+IsoProp+Na+H"	84.054008
"991626"	216.569576	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+2ACN+2H"	84.067652
"1592571"	434.040128	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+K+HCOOH"	84.968628
"1417137"	464.071638	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+H+CF3COOH"	115.000138
"1149612"	237.082851	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+3ACN+2H"	125.094202
"1706826"	481.098185	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+NH4+CF3COOH"	132.026685
"1641383"	486.05358	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+Na+CF3COOH"	136.98208
"1585782"	502.02752	"C04684"	"m-Carboxyphenyl phenylacetamidomethylphosphonate"	"C16H16NO6P"	"349.0715"	"M+K+CF3COOH"	152.95602
"812867"	336.2301	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M"	0
"979841"	317.21171	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"71366"	223.146124	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"504363"	335.222824	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"881073"	111.069424	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"4019"	335.222824	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"441756"	503.337874	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"819434"	167.107774	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"81375"	671.452924	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"519843"	1007.683024	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"896304"	335.222824	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"47517"	688.479471	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"487319"	1024.709571	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"864551"	352.249371	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"31805"	693.434866	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"471508"	1029.664966	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"849223"	357.204766	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1619813"	357.204766	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"100717"	353.211163	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"535903"	521.326213	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"941089"	185.096113	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"278920"	707.429602	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"665873"	1043.659702	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1281558"	371.199502	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"30676"	709.408806	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"465863"	1045.638906	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"847798"	373.178706	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1567154"	373.178706	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"952851"	381.228294	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"367786"	717.458401	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"346443"	731.474051	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1492805"	395.243951	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"965855"	403.210251	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"114762"	371.199502	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"561977"	539.314552	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1032964"	203.084452	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1254730"	415.148985	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1314993"	417.204972	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1325926"	439.186929	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"921362"	449.215686	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1299164"	485.192364	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1378418"	301.217424	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1393728"	319.2274	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"295603"	673.467476	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"685836"	1009.697576	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1358905"	337.237376	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"139083"	337.237376	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"574634"	505.352426	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1052631"	169.122326	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"217896"	225.160676	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"656361"	337.237376	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1172301"	113.083976	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"439105"	690.494023	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"798393"	1026.724123	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1696183"	354.263923	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"344096"	345.7506495	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"733600"	513.8656995	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1487430"	177.6355995	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"399548"	695.449418	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"754588"	1031.679518	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1607545"	359.219318	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"325235"	348.228347	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"715469"	516.343397	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1466008"	180.113297	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1057069"	120.41129	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1257095"	369.263586	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"377684"	711.423358	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"738718"	1047.653458	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1541831"	375.193258	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"302293"	356.215317	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"693619"	524.330367	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1448531"	188.100267	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"241144"	714.494026	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1216040"	378.263926	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1197737"	189.635601	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"189515"	717.43136	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"630534"	1053.66146	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1135134"	381.20126	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"180248"	359.219318	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"624182"	527.334368	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1125503"	191.104268	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1410118"	127.738604	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1437864"	383.242846	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"226469"	364.25234	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1516719"	397.29489	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"417500"	367.206288	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"783965"	535.321338	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1677014"	199.091238	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"261348"	736.475968	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1237701"	400.245868	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1724033"	400.269393	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1187201"	135.065918	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1650290"	405.224788	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"167235"	749.37924	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"605702"	1085.60934	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1089121"	413.14914	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"147030"	375.193258	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"582455"	543.308308	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1069887"	207.078208	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1100784"	415.163692	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1337411"	415.251307	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1007406"	419.290476	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1525531"	420.284108	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"994897"	210.148876	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1594868"	421.198728	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1417247"	451.230238	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1149722"	230.662151	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1703656"	468.256785	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1641493"	473.21218	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1585892"	489.18612	"C04685"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1013-dienoate;Prostaglandin A1;PGA1"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"812977"	336.2301	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M"	0
"981044"	317.21171	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"73660"	223.146124	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"508119"	335.222824	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"884463"	111.069424	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"4129"	335.222824	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"445877"	503.337874	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"819302"	167.107774	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"81485"	671.452924	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"522140"	1007.683024	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"896410"	335.222824	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"48109"	688.479471	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"488036"	1024.709571	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"865469"	352.249371	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"32402"	693.434866	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"472689"	1029.664966	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"850386"	357.204766	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1623566"	357.204766	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"98272"	353.211163	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"537831"	521.326213	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"932809"	185.096113	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"279028"	707.429602	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"668170"	1043.659702	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1286648"	371.199502	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"27503"	709.408806	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"467066"	1045.638906	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"847060"	373.178706	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1568357"	373.178706	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"953691"	381.228294	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"370083"	717.458401	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"348498"	731.474051	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1494049"	395.243951	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"964872"	403.210251	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"120340"	371.199502	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"562087"	539.314552	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1031981"	203.084452	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1254840"	415.148985	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1318261"	417.204972	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1326036"	439.186929	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"922566"	449.215686	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1300369"	485.192364	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1377436"	301.217424	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1390556"	319.2274	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"296441"	673.467476	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"688134"	1009.697576	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1363388"	337.237376	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"135182"	337.237376	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"575837"	505.352426	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1050104"	169.122326	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"219098"	225.160676	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"658296"	337.237376	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1174597"	113.083976	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"438602"	690.494023	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"795586"	1026.724123	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1693741"	354.263923	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"344452"	345.7506495	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"735896"	513.8656995	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1487539"	177.6355995	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"401845"	695.449418	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"757372"	1031.679518	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1613122"	359.219318	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"317691"	348.228347	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"714486"	516.343397	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1467213"	180.113297	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1058273"	120.41129	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1258127"	369.263586	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"378279"	711.423358	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"738910"	1047.653458	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1543767"	375.193258	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"300944"	356.215317	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"694822"	524.330367	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1449370"	188.100267	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"237243"	714.494026	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1213963"	378.263926	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1196754"	189.635601	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"190716"	717.43136	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"630278"	1053.66146	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1133784"	381.20126	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"182543"	359.219318	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"623199"	527.334368	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1126706"	191.104268	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1410229"	127.738604	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1439066"	383.242846	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"225486"	364.25234	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1516829"	397.29489	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"417610"	367.206288	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"780797"	535.321338	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1673847"	199.091238	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"260365"	736.475968	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1233802"	400.245868	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1721958"	400.269393	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1187311"	135.065918	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1651007"	405.224788	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"164065"	749.37924	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"604718"	1085.60934	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1092510"	413.14914	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"143859"	375.193258	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"582686"	543.308308	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1070844"	207.078208	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1100894"	415.163692	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1337765"	415.251307	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1005754"	419.290476	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1524546"	420.284108	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"993914"	210.148876	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1594978"	421.198728	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1417357"	451.230238	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1149832"	230.662151	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1703766"	468.256785	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1641603"	473.21218	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1586002"	489.18612	"C04686"	"(13E)-(15S)-15-Hydroxy-9-oxoprosta-1113-dienoate;Prostaglandin C1"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"816613"	160.0736	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M"	0
"976779"	141.05521	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-H2O-H"	-19.01839
"69397"	105.708457333333	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M-3H"	-3.021828
"511142"	159.066324	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M-3H"	-3.021828
"885666"	52.3505906666667	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-3H"	-3.021828
"6426"	159.066324	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M-2H"	-2.014552
"449267"	239.103124	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M-2H"	-2.014552
"823788"	79.029524	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-2H"	-2.014552
"87062"	319.139924	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M-H"	-1.007276
"523344"	479.213524	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M-H"	-1.007276
"896525"	159.066324	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-H"	-1.007276
"50052"	336.166471	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M-2H+NH4"	16.019271
"489733"	496.240071	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M-2H+NH4"	16.019271
"864615"	176.092871	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-2H+NH4"	16.019271
"36410"	341.121866	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M-2H+Na"	20.974666
"471834"	501.195466	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M-2H+Na"	20.974666
"854870"	181.048266	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-2H+Na"	20.974666
"1620395"	181.048266	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Na-2H"	20.974666
"95217"	177.054663	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M-H+Cl"	33.962126
"535389"	257.091463	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M-H+Cl"	33.962126
"932919"	97.017863	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-H+Cl"	33.962126
"276952"	355.116602	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+Cl"	34.969402
"668280"	515.190202	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+Cl"	34.969402
"1283963"	195.043002	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Cl"	34.969402
"26520"	357.095806	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M-2H+K"	36.948606
"466083"	517.169406	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M-2H+K"	36.948606
"846078"	197.022206	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-2H+K"	36.948606
"1566280"	197.022206	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+K-2H"	36.948606
"955988"	205.071794	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-H+HCOOH"	44.998194
"372381"	365.145401	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+HCOOH-H"	44.998201
"355169"	379.161051	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+Hac-H"	59.013851
"1499627"	219.087451	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Hac-H"	59.013851
"964982"	227.053751	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-H+NaCOOH"	66.980151
"118263"	195.043002	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+2Cl"	69.938804
"558917"	275.079802	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+2Cl"	69.938804
"1027716"	115.006202	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2Cl"	69.938804
"1254222"	238.992485	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Br"	78.918885
"1317764"	241.048472	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Cl+HCOOH"	80.974872
"1332710"	263.030429	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Cl+NaCOOH"	102.956829
"922677"	273.059186	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M-H+CF3COOH"	112.985586
"1300479"	309.035864	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Cl+CF3COOH"	148.962264
"1377544"	125.060924	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H-2H2O"	-35.012676
"1396135"	143.0709	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H-H2O"	-17.0027
"297402"	321.154476	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+H"	1.007276
"688973"	481.228076	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+H"	1.007276
"1365321"	161.080876	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H"	1.007276
"138574"	161.080876	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+2H"	2.014552
"577040"	241.117676	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+2H"	2.014552
"1051307"	81.044076	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2H"	2.014552
"218481"	107.723009333333	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+3H"	3.021828
"659136"	161.080876	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+3H"	3.021828
"1176537"	54.3651426666667	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+3H"	3.021828
"438351"	338.181023	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+NH4"	18.033823
"799342"	498.254623	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+NH4"	18.033823
"1694945"	178.107423	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+NH4"	18.033823
"344682"	169.5941495	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+H+NH4"	19.041099
"738117"	249.6309495	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+H+NH4"	19.041099
"1488743"	89.5573495	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H+NH4"	19.041099
"406328"	343.136418	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+Na"	22.989218
"759671"	503.210018	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+Na"	22.989218
"1613234"	183.062818	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Na"	22.989218
"322176"	172.071847	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+H+Na"	23.996494
"715690"	252.108647	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+H+Na"	23.996494
"1468417"	92.035047	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H+Na"	23.996494
"1062756"	61.6924566666667	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2H+Na"	25.00377
"1260059"	193.107086	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+CH3OH+H"	33.033486
"383008"	359.110358	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+K"	38.963158
"739264"	519.183958	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+K"	38.963158
"1543876"	199.036758	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+K"	38.963158
"302147"	180.058817	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+H+K"	39.970434
"693229"	260.095617	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+H+K"	39.970434
"1449481"	100.022017	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H+K"	39.970434
"241364"	362.181026	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+ACN+H"	42.033826
"1217355"	202.107426	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+ACN+H"	42.033826
"1198685"	101.557351	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+ACN+2H"	43.041102
"191192"	365.11836	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+2Na-H"	44.97116
"636952"	525.19196	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+2Na-H"	44.97116
"1138271"	205.04476	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2Na-H"	44.97116
"177551"	183.062818	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+2Na"	45.978436
"623309"	263.099618	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+2Na"	45.978436
"1126816"	103.026018	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2Na"	45.978436
"1410338"	69.0197706666667	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H+2Na"	46.985712
"1440272"	207.086346	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H+HCOOH"	47.012746
"231431"	188.09584	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+3H2O+2H"	56.04448
"1518033"	221.13839	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+IsoProp+H"	61.06479
"419179"	191.049788	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+Na+K"	61.952376
"777628"	271.086588	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+Na+K"	61.952376
"1676142"	111.012988	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Na+K"	61.952376
"260475"	384.162968	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+ACN+Na"	64.015768
"1232820"	224.089368	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+ACN+Na"	64.015768
"1721341"	224.112893	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+NH4+HCOOH"	64.039293
"1189609"	76.3470846666667	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+3Na"	68.967654
"1657318"	229.068288	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Na+HCOOH"	68.994688
"168188"	397.06624	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+2K-H"	76.91904
"607744"	557.13984	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+2K-H"	76.91904
"1096630"	236.99264	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2K-H"	76.91904
"147252"	199.036758	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"2M+2K"	77.926316
"584624"	279.073558	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"3M+2K"	77.926316
"1072417"	118.999958	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2K"	77.926316
"1100279"	239.007192	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2K+H"	78.933592
"1336661"	239.094807	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+DMSO+H"	79.021207
"1007384"	243.133976	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2ACN+H"	83.060376
"1530857"	244.127608	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+IsoProp+Na+H"	84.054008
"997306"	122.070626	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+2ACN+2H"	84.067652
"1596184"	245.042228	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+K+HCOOH"	84.968628
"1426217"	275.073738	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+H+CF3COOH"	115.000138
"1148849"	142.583901	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+3ACN+2H"	125.094202
"1700595"	292.100285	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+NH4+CF3COOH"	132.026685
"1641713"	297.05568	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+Na+CF3COOH"	136.98208
"1576271"	313.02962	"C04687"	"(1S3R4S)-34-Dihydroxycyclohexane-1-carboxylate"	"C7H12O4"	"160.0736"	"M+K+CF3COOH"	152.95602
"812105"	217.0586	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M"	0
"980171"	198.04021	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-H2O-H"	-19.01839
"69507"	143.698457333333	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M-3H"	-3.021828
"513439"	216.051324	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M-3H"	-3.021828
"887961"	71.3455906666667	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-3H"	-3.021828
"4350"	216.051324	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M-2H"	-2.014552
"448284"	324.580624	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M-2H"	-2.014552
"822805"	107.522024	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-2H"	-2.014552
"84986"	433.109924	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M-H"	-1.007276
"519928"	650.168524	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M-H"	-1.007276
"896881"	216.051324	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-H"	-1.007276
"50164"	450.136471	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M-2H+NH4"	16.019271
"489725"	667.195071	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M-2H+NH4"	16.019271
"868619"	233.077871	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-2H+NH4"	16.019271
"34333"	455.091866	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M-2H+Na"	20.974666
"474991"	672.150466	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M-2H+Na"	20.974666
"854981"	238.033266	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-2H+Na"	20.974666
"1622692"	238.033266	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Na-2H"	20.974666
"97762"	234.039663	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M-H+Cl"	33.962126
"546808"	342.568963	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M-H+Cl"	33.962126
"939598"	125.510363	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-H+Cl"	33.962126
"280342"	469.086602	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+Cl"	34.969402
"674948"	686.145202	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+Cl"	34.969402
"1286261"	252.028002	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Cl"	34.969402
"30161"	471.065806	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M-2H+K"	36.948606
"469842"	688.124406	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M-2H+K"	36.948606
"847281"	254.007206	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-2H+K"	36.948606
"1570404"	254.007206	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+K-2H"	36.948606
"956463"	262.056794	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-H+HCOOH"	44.998194
"370305"	479.115401	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+HCOOH-H"	44.998201
"355281"	493.131051	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+Hac-H"	59.013851
"1500832"	276.072451	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Hac-H"	59.013851
"970560"	284.038751	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-H+NaCOOH"	66.980151
"121291"	252.028002	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+2Cl"	69.938804
"557934"	360.557302	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+2Cl"	69.938804
"1027828"	143.498702	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2Cl"	69.938804
"1255670"	295.977485	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Br"	78.918885
"1317145"	298.033472	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Cl+HCOOH"	80.974872
"1329541"	320.015429	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Cl+NaCOOH"	102.956829
"922786"	330.044186	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M-H+CF3COOH"	112.985586
"1301682"	366.020864	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Cl+CF3COOH"	148.962264
"1379841"	182.045924	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H-2H2O"	-35.012676
"1396610"	200.0559	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H-H2O"	-17.0027
"296662"	435.124476	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+H"	1.007276
"689817"	652.183076	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+H"	1.007276
"1364703"	218.065876	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H"	1.007276
"140873"	218.065876	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+2H"	2.014552
"579337"	326.595176	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+2H"	2.014552
"1050689"	109.536576	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2H"	2.014552
"211664"	145.713009333333	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+3H"	3.021828
"657058"	218.065876	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+3H"	3.021828
"1176642"	73.3601426666667	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+3H"	3.021828
"439556"	452.151023	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+NH4"	18.033823
"798724"	669.209623	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+NH4"	18.033823
"1694326"	235.092423	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+NH4"	18.033823
"345158"	226.5791495	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+H+NH4"	19.041099
"735759"	335.1084495	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+H+NH4"	19.041099
"1491039"	118.0498495	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H+NH4"	19.041099
"407167"	457.106418	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+Na"	22.989218
"764153"	674.165018	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+Na"	22.989218
"1612250"	240.047818	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Na"	22.989218
"324473"	229.056847	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+H+Na"	23.996494
"717987"	337.586147	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+H+Na"	23.996494
"1469620"	120.527547	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H+Na"	23.996494
"1060677"	80.6874566666667	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2H+Na"	25.00377
"1260168"	250.092086	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+CH3OH+H"	33.033486
"377650"	473.080358	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+K"	38.963158
"740838"	690.138958	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+K"	38.963158
"1543256"	256.021758	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+K"	38.963158
"303350"	237.043817	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+H+K"	39.970434
"697958"	345.573117	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+H+K"	39.970434
"1449591"	128.514517	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H+K"	39.970434
"240380"	476.151026	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+ACN+H"	42.033826
"1216372"	259.092426	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+ACN+H"	42.033826
"1198795"	130.049851	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+ACN+2H"	43.041102
"198596"	479.08836	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+2Na-H"	44.97116
"633050"	696.14696	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+2Na-H"	44.97116
"1135827"	262.02976	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2Na-H"	44.97116
"178025"	240.047818	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+2Na"	45.978436
"617585"	348.577118	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+2Na"	45.978436
"1123643"	131.518518	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2Na"	45.978436
"1409357"	88.0147706666667	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H+2Na"	46.985712
"1444390"	264.071346	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H+HCOOH"	47.012746
"230080"	245.08084	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+3H2O+2H"	56.04448
"1520326"	278.12339	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+IsoProp+H"	61.06479
"416735"	248.034788	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+Na+K"	61.952376
"778831"	356.564088	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+Na+K"	61.952376
"1675523"	139.505488	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Na+K"	61.952376
"260587"	498.132968	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+ACN+Na"	64.015768
"1237303"	281.074368	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+ACN+Na"	64.015768
"1719992"	281.097893	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+NH4+HCOOH"	64.039293
"1187534"	95.3420846666667	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+3Na"	68.967654
"1659614"	286.053288	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Na+HCOOH"	68.994688
"162101"	511.03624	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+2K-H"	76.91904
"604942"	728.09484	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+2K-H"	76.91904
"1092733"	293.97764	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2K-H"	76.91904
"144079"	256.021758	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"2M+2K"	77.926316
"583274"	364.551058	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"3M+2K"	77.926316
"1069369"	147.492458	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2K"	77.926316
"1100998"	295.992192	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2K+H"	78.933592
"1336653"	296.079807	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+DMSO+H"	79.021207
"1006155"	300.118976	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2ACN+H"	83.060376
"1524280"	301.112608	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+IsoProp+Na+H"	84.054008
"990973"	150.563126	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+2ACN+2H"	84.067652
"1590823"	302.027228	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+K+HCOOH"	84.968628
"1415391"	332.058738	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+H+CF3COOH"	115.000138
"1153340"	171.076401	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+3ACN+2H"	125.094202
"1700705"	349.085285	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+NH4+CF3COOH"	132.026685
"1644011"	354.04068	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+Na+CF3COOH"	136.98208
"1576382"	370.01462	"C04690"	"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate;2-(Acetamidomethylene)-3-(hydroxymethyl)succinate"	"C8H11NO6"	"217.0586"	"M+K+CF3COOH"	152.95602
"812215"	288.0246	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M"	0
"980281"	269.00621	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-H2O-H"	-19.01839
"72897"	191.009124	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M-3H"	-3.021828
"513549"	287.017324	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M-3H"	-3.021828
"890258"	95.000924	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-3H"	-3.021828
"6647"	287.017324	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M-2H"	-2.014552
"447302"	431.029624	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M-2H"	-2.014552
"827291"	143.005024	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-2H"	-2.014552
"90930"	575.041924	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M-H"	-1.007276
"523563"	863.066524	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M-H"	-1.007276
"895811"	287.017324	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-H"	-1.007276
"47475"	592.068471	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M-2H+NH4"	16.019271
"489106"	880.093071	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M-2H+NH4"	16.019271
"868730"	304.043871	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-2H+NH4"	16.019271
"35536"	597.023866	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M-2H+Na"	20.974666
"474372"	885.048466	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M-2H+Na"	20.974666
"854362"	308.999266	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-2H+Na"	20.974666
"1624990"	308.999266	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Na-2H"	20.974666
"98967"	305.005663	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M-H+Cl"	33.962126
"547282"	449.017963	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M-H+Cl"	33.962126
"939708"	160.993363	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-H+Cl"	33.962126
"282446"	611.018602	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+Cl"	34.969402
"675061"	899.043202	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+Cl"	34.969402
"1287100"	322.994002	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Cl"	34.969402
"30758"	612.997806	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M-2H+K"	36.948606
"471253"	901.022406	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M-2H+K"	36.948606
"848440"	324.973206	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-2H+K"	36.948606
"1570148"	324.973206	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+K-2H"	36.948606
"951106"	333.022794	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-H+HCOOH"	44.998194
"371508"	621.047401	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+HCOOH-H"	44.998201
"355392"	635.063051	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+Hac-H"	59.013851
"1500942"	347.038451	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Hac-H"	59.013851
"971401"	355.004751	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-H+NaCOOH"	66.980151
"122496"	322.994002	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+2Cl"	69.938804
"559137"	467.006302	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+2Cl"	69.938804
"1030125"	178.981702	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2Cl"	69.938804
"1252984"	366.943485	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Br"	78.918885
"1311057"	368.999472	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Cl+HCOOH"	80.974872
"1333661"	390.981429	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Cl+NaCOOH"	102.956829
"925082"	401.010186	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M-H+CF3COOH"	112.985586
"1302523"	436.986864	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Cl+CF3COOH"	148.962264
"1379953"	253.011924	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H-2H2O"	-35.012676
"1396355"	271.0219	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H-H2O"	-17.0027
"297137"	577.056476	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+H"	1.007276
"689199"	865.081076	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+H"	1.007276
"1364813"	289.031876	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H"	1.007276
"140378"	289.031876	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+2H"	2.014552
"580422"	433.044176	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+2H"	2.014552
"1050434"	145.019576	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2H"	2.014552
"215053"	193.023676	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+3H"	3.021828
"658264"	289.031876	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+3H"	3.021828
"1173834"	97.015476	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+3H"	3.021828
"438324"	594.083023	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+NH4"	18.033823
"799196"	882.107623	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+NH4"	18.033823
"1695168"	306.058423	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+NH4"	18.033823
"344297"	297.5451495	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+H+NH4"	19.041099
"737938"	441.5574495	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+H+NH4"	19.041099
"1487869"	153.5328495	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H+NH4"	19.041099
"405455"	599.038418	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+Na"	22.989218
"763170"	887.063018	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+Na"	22.989218
"1613452"	311.013818	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Na"	22.989218
"325677"	300.022847	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+H+Na"	23.996494
"720651"	444.035147	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+H+Na"	23.996494
"1471919"	156.010547	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H+Na"	23.996494
"1059694"	104.34279	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2H+Na"	25.00377
"1258820"	321.058086	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+CH3OH+H"	33.033486
"377514"	615.012358	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+K"	38.963158
"740219"	903.036958	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+K"	38.963158
"1542272"	326.987758	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+K"	38.963158
"303460"	308.009817	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+H+K"	39.970434
"699162"	452.022117	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+H+K"	39.970434
"1449701"	163.997517	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H+K"	39.970434
"237574"	618.083026	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+ACN+H"	42.033826
"1218668"	330.058426	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+ACN+H"	42.033826
"1198177"	165.532851	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+ACN+2H"	43.041102
"198706"	621.02036	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+2Na-H"	44.97116
"637172"	909.04496	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+2Na-H"	44.97116
"1138491"	332.99576	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2Na-H"	44.97116
"182875"	311.013818	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+2Na"	45.978436
"620248"	455.026118	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+2Na"	45.978436
"1121566"	167.001518	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2Na"	45.978436
"1410562"	111.670104	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H+2Na"	46.985712
"1443774"	335.037346	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H+HCOOH"	47.012746
"233471"	316.04684	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+3H2O+2H"	56.04448
"1520436"	349.08939	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+IsoProp+H"	61.06479
"415751"	319.000788	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+Na+K"	61.952376
"782946"	463.013088	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+Na+K"	61.952376
"1676363"	174.988488	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Na+K"	61.952376
"260696"	640.064968	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+ACN+Na"	64.015768
"1235589"	352.040368	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+ACN+Na"	64.015768
"1722289"	352.063893	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+NH4+HCOOH"	64.039293
"1188736"	118.997418	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+3Na"	68.967654
"1658630"	357.019288	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Na+HCOOH"	68.994688
"163304"	652.96824	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+2K-H"	76.91904
"602865"	940.99284	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+2K-H"	76.91904
"1092843"	364.94364	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2K-H"	76.91904
"150750"	326.987758	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"2M+2K"	77.926316
"582413"	471.000058	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"3M+2K"	77.926316
"1068994"	182.975458	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2K"	77.926316
"1100380"	366.958192	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2K+H"	78.933592
"1335643"	367.045807	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+DMSO+H"	79.021207
"1007484"	371.084976	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2ACN+H"	83.060376
"1528891"	372.078608	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+IsoProp+Na+H"	84.054008
"994244"	186.046126	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+2ACN+2H"	84.067652
"1592028"	372.993228	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+K+HCOOH"	84.968628
"1417689"	403.024738	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+H+CF3COOH"	115.000138
"1150170"	206.559401	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+3ACN+2H"	125.094202
"1700815"	420.051285	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+NH4+CF3COOH"	132.026685
"1638653"	425.00668	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+Na+CF3COOH"	136.98208
"1576492"	440.98062	"C04691"	"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate;3-Deoxy-arabino-heptulonate 7-phosphate;3-Deoxy-D-arabino-heptulosonic acid 7-phosphate;DAHP;2-Dahp"	"C7H13O10P"	"288.0246"	"M+K+CF3COOH"	152.95602
"806858"	499.169	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M"	0
"980391"	480.15061	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-H2O-H"	-19.01839
"69726"	331.772057333333	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M-3H"	-3.021828
"507102"	498.161724	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M-3H"	-3.021828
"888182"	165.382390666667	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-3H"	-3.021828
"6757"	498.161724	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M-2H"	-2.014552
"448505"	747.746224	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M-2H"	-2.014552
"824121"	248.577224	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-2H"	-2.014552
"89218"	997.330724	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M-H"	-1.007276
"522214"	1496.499724	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M-H"	-1.007276
"899288"	498.161724	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-H"	-1.007276
"47827"	1014.357271	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M-2H+NH4"	16.019271
"488120"	1513.526271	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M-2H+NH4"	16.019271
"864705"	515.188271	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-2H+NH4"	16.019271
"35290"	1019.312666	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M-2H+Na"	20.974666
"478496"	1518.481666	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M-2H+Na"	20.974666
"856297"	520.143666	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-2H+Na"	20.974666
"1630207"	520.143666	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Na-2H"	20.974666
"99081"	516.150063	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M-H+Cl"	33.962126
"544112"	765.734563	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M-H+Cl"	33.962126
"939821"	266.565563	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-H+Cl"	33.962126
"279467"	1033.307402	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+Cl"	34.969402
"674812"	1532.476402	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+Cl"	34.969402
"1285394"	534.138402	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Cl"	34.969402
"27951"	1035.286606	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M-2H+K"	36.948606
"467511"	1534.455606	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M-2H+K"	36.948606
"848228"	536.117606	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-2H+K"	36.948606
"1567345"	536.117606	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+K-2H"	36.948606
"952308"	544.167194	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-H+HCOOH"	44.998194
"373805"	1043.336201	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+HCOOH-H"	44.998201
"355501"	1057.351851	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+Hac-H"	59.013851
"1503239"	558.182851	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Hac-H"	59.013851
"969322"	566.149151	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-H+NaCOOH"	66.980151
"121511"	534.138402	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+2Cl"	69.938804
"555967"	783.722902	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+2Cl"	69.938804
"1028048"	284.553902	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2Cl"	69.938804
"1246531"	578.087885	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Br"	78.918885
"1308979"	580.143872	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Cl+HCOOH"	80.974872
"1334503"	602.125829	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Cl+NaCOOH"	102.956829
"924101"	612.154586	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M-H+CF3COOH"	112.985586
"1301902"	648.131264	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Cl+CF3COOH"	148.962264
"1380064"	464.156324	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H-2H2O"	-35.012676
"1397195"	482.1663	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H-H2O"	-17.0027
"297491"	999.345276	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+H"	1.007276
"688942"	1498.514276	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+H"	1.007276
"1365651"	500.176276	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H"	1.007276
"140241"	500.176276	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+2H"	2.014552
"577370"	749.760776	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+2H"	2.014552
"1049448"	250.591776	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2H"	2.014552
"214071"	333.786609333333	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+3H"	3.021828
"658010"	500.176276	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+3H"	3.021828
"1177355"	167.396942666667	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+3H"	3.021828
"438561"	1016.371823	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+NH4"	18.033823
"800043"	1515.540823	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+NH4"	18.033823
"1696250"	517.202823	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+NH4"	18.033823
"344412"	508.6895495	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+H+NH4"	19.041099
"735617"	758.2740495	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+H+NH4"	19.041099
"1490168"	259.1050495	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H+NH4"	19.041099
"405931"	1021.327218	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+Na"	22.989218
"766561"	1520.496218	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+Na"	22.989218
"1613566"	522.158218	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Na"	22.989218
"322508"	511.167247	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+H+Na"	23.996494
"716022"	760.751747	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+H+Na"	23.996494
"1468749"	261.582747	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H+Na"	23.996494
"1060899"	174.724256666667	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2H+Na"	25.00377
"1259296"	532.202486	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+CH3OH+H"	33.033486
"378967"	1037.301158	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+K"	38.963158
"741426"	1536.470158	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+K"	38.963158
"1545301"	538.132158	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+K"	38.963158
"304664"	519.154217	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+H+K"	39.970434
"698179"	768.738717	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+H+K"	39.970434
"1453092"	269.569717	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H+K"	39.970434
"246068"	1040.371826	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+ACN+H"	42.033826
"1215498"	541.202826	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+ACN+H"	42.033826
"1197556"	271.105051	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+ACN+2H"	43.041102
"201976"	1043.30916	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+2Na-H"	44.97116
"639470"	1542.47816	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+2Na-H"	44.97116
"1142976"	544.14016	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2Na-H"	44.97116
"185173"	522.158218	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+2Na"	45.978436
"620358"	771.742718	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+2Na"	45.978436
"1127148"	272.573718	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2Na"	45.978436
"1411766"	182.051570666667	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H+2Na"	46.985712
"1440602"	546.181746	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H+HCOOH"	47.012746
"224466"	527.19124	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+3H2O+2H"	56.04448
"1516177"	560.23379	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+IsoProp+H"	61.06479
"419511"	530.145188	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+Na+K"	61.952376
"777593"	779.729688	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+Na+K"	61.952376
"1677200"	280.560688	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Na+K"	61.952376
"261897"	1062.353768	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+ACN+Na"	64.015768
"1234606"	563.184768	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+ACN+Na"	64.015768
"1718024"	563.208293	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+NH4+HCOOH"	64.039293
"1184107"	189.378884666667	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+3Na"	68.967654
"1655460"	568.163688	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Na+HCOOH"	68.994688
"159766"	1075.25704	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+2K-H"	76.91904
"602972"	1574.42604	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+2K-H"	76.91904
"1087484"	576.08804	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2K-H"	76.91904
"143206"	538.132158	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"2M+2K"	77.926316
"582045"	787.716658	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"3M+2K"	77.926316
"1072025"	288.547658	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2K"	77.926316
"1100232"	578.102592	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2K+H"	78.933592
"1335931"	578.190207	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+DMSO+H"	79.021207
"1007107"	582.229376	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2ACN+H"	83.060376
"1524503"	583.223008	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+IsoProp+Na+H"	84.054008
"991072"	291.618326	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+2ACN+2H"	84.067652
"1588129"	584.137628	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+K+HCOOH"	84.968628
"1425462"	614.169138	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+H+CF3COOH"	115.000138
"1156842"	312.131601	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+3ACN+2H"	125.094202
"1706394"	631.195685	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+NH4+CF3COOH"	132.026685
"1635485"	636.15108	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+Na+CF3COOH"	136.98208
"1571496"	652.12502	"C04695"	"5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside"	"C22H29NO12"	"499.169"	"M+K+CF3COOH"	152.95602
"813531"	340.1369	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M"	0
"980502"	321.11851	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-H2O-H"	-19.01839
"74215"	225.750657333333	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M-3H"	-3.021828
"511588"	339.129624	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M-3H"	-3.021828
"883920"	112.371690666667	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-3H"	-3.021828
"5774"	339.129624	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M-2H"	-2.014552
"448614"	509.198074	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M-2H"	-2.014552
"823137"	169.061174	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-2H"	-2.014552
"78745"	679.266524	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M-H"	-1.007276
"523783"	1019.403424	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M-H"	-1.007276
"898667"	339.129624	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-H"	-1.007276
"48179"	696.293071	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M-2H+NH4"	16.019271
"490052"	1036.429971	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M-2H+NH4"	16.019271
"875520"	356.156171	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-2H+NH4"	16.019271
"44882"	701.248466	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M-2H+Na"	20.974666
"484073"	1041.385366	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M-2H+Na"	20.974666
"860423"	361.111566	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-2H+Na"	20.974666
"1630321"	361.111566	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Na-2H"	20.974666
"107215"	357.117963	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M-H+Cl"	33.962126
"547387"	527.186413	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M-H+Cl"	33.962126
"937745"	187.049513	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-H+Cl"	33.962126
"276301"	715.243202	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+Cl"	34.969402
"674193"	1055.380102	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+Cl"	34.969402
"1288138"	375.106302	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Cl"	34.969402
"30247"	717.222406	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M-2H+K"	36.948606
"470700"	1057.359306	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M-2H+K"	36.948606
"848462"	377.085506	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-2H+K"	36.948606
"1567820"	377.085506	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+K-2H"	36.948606
"955701"	385.135094	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-H+HCOOH"	44.998194
"376473"	725.272001	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+HCOOH-H"	44.998201
"360879"	739.287651	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+Hac-H"	59.013851
"1507361"	399.150751	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Hac-H"	59.013851
"973204"	407.117051	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-H+NaCOOH"	66.980151
"122350"	375.106302	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+2Cl"	69.938804
"562639"	545.174752	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+2Cl"	69.938804
"1031438"	205.037852	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2Cl"	69.938804
"1254298"	419.055785	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Br"	78.918885
"1319587"	421.111772	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Cl+HCOOH"	80.974872
"1335227"	443.093729	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Cl+NaCOOH"	102.956829
"926764"	453.122486	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M-H+CF3COOH"	112.985586
"1298732"	489.099164	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Cl+CF3COOH"	148.962264
"1380903"	305.124224	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H-2H2O"	-35.012676
"1397915"	323.1342	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H-H2O"	-17.0027
"297724"	681.281076	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+H"	1.007276
"690146"	1021.417976	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+H"	1.007276
"1366257"	341.144176	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H"	1.007276
"140351"	341.144176	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+2H"	2.014552
"580762"	511.212626	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+2H"	2.014552
"1052239"	171.075726	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2H"	2.014552
"218434"	227.765209333333	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+3H"	3.021828
"658486"	341.144176	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+3H"	3.021828
"1177092"	114.386242666667	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+3H"	3.021828
"439643"	698.307623	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+NH4"	18.033823
"800267"	1038.444523	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+NH4"	18.033823
"1695879"	358.170723	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+NH4"	18.033823
"344765"	349.6574495	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+H+NH4"	19.041099
"736093"	519.7258995	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+H+NH4"	19.041099
"1489553"	179.5889995	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H+NH4"	19.041099
"407137"	703.263018	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+Na"	22.989218
"768615"	1043.399918	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+Na"	22.989218
"1616591"	363.126118	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Na"	22.989218
"325899"	352.135147	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+H+Na"	23.996494
"719051"	522.203597	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+H+Na"	23.996494
"1475056"	182.066697	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H+Na"	23.996494
"1067206"	121.713556666667	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2H+Na"	25.00377
"1257832"	373.170386	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+CH3OH+H"	33.033486
"380174"	719.236958	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+K"	38.963158
"743358"	1059.373858	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+K"	38.963158
"1542130"	379.100058	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+K"	38.963158
"303680"	360.122117	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+H+K"	39.970434
"700475"	530.190567	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+H+K"	39.970434
"1455388"	190.053667	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H+K"	39.970434
"242900"	722.307626	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+ACN+H"	42.033826
"1212329"	382.170726	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+ACN+H"	42.033826
"1198401"	191.589001	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+ACN+2H"	43.041102
"196739"	725.24496	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+2Na-H"	44.97116
"639580"	1065.38186	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+2Na-H"	44.97116
"1141993"	385.10806	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2Na-H"	44.97116
"185283"	363.126118	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+2Na"	45.978436
"623749"	533.194568	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+2Na"	45.978436
"1127255"	193.057668	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2Na"	45.978436
"1406410"	129.040870666667	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H+2Na"	46.985712
"1441810"	387.149646	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H+HCOOH"	47.012746
"229323"	368.15914	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+3H2O+2H"	56.04448
"1518479"	401.20169	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+IsoProp+H"	61.06479
"418165"	371.113088	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+Na+K"	61.952376
"780981"	541.181538	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+Na+K"	61.952376
"1678406"	201.044638	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Na+K"	61.952376
"260915"	744.289568	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+ACN+Na"	64.015768
"1236903"	404.152668	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+ACN+Na"	64.015768
"1720322"	404.176193	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+NH4+HCOOH"	64.039293
"1186769"	136.368184666667	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+3Na"	68.967654
"1656663"	409.131588	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Na+HCOOH"	68.994688
"162428"	757.19284	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+2K-H"	76.91904
"599071"	1097.32974	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+2K-H"	76.91904
"1087598"	417.05594	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2K-H"	76.91904
"149886"	379.100058	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"2M+2K"	77.926316
"587259"	549.168508	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"3M+2K"	77.926316
"1072863"	209.031608	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2K"	77.926316
"1100478"	419.070492	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2K+H"	78.933592
"1335661"	419.158107	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+DMSO+H"	79.021207
"1006851"	423.197276	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2ACN+H"	83.060376
"1530203"	424.190908	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+IsoProp+Na+H"	84.054008
"996656"	212.102276	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+2ACN+2H"	84.067652
"1601737"	425.105528	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+K+HCOOH"	84.968628
"1426666"	455.137038	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+H+CF3COOH"	115.000138
"1159140"	232.615551	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+3ACN+2H"	125.094202
"1711491"	472.163585	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+NH4+CF3COOH"	132.026685
"1649084"	477.11898	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+Na+CF3COOH"	136.98208
"1586555"	493.09292	"C04698"	"Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside"	"C13H24O10"	"340.1369"	"M+K+CF3COOH"	152.95602
"807080"	1007.2774	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M"	0
"980612"	988.25901	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H2O-H"	-19.01839
"67765"	670.510990666667	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-3H"	-3.021828
"505137"	1006.270124	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-3H"	-3.021828
"882207"	334.751857333333	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-3H"	-3.021828
"4792"	1006.270124	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H"	-2.014552
"444351"	1509.908824	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H"	-2.014552
"817284"	502.631424	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H"	-2.014552
"78855"	2013.547524	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-H"	-1.007276
"519514"	3020.824924	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-H"	-1.007276
"897682"	1006.270124	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H"	-1.007276
"47470"	2030.574071	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+NH4"	16.019271
"487720"	3037.851471	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+NH4"	16.019271
"875630"	1023.296671	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+NH4"	16.019271
"43168"	2035.529466	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+Na"	20.974666
"481997"	3042.806866	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+Na"	20.974666
"862720"	1028.252066	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+Na"	20.974666
"1633348"	1028.252066	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na-2H"	20.974666
"107328"	1024.258463	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-H+Cl"	33.962126
"543973"	1527.897163	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-H+Cl"	33.962126
"938217"	520.619763	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+Cl"	33.962126
"279936"	2049.524202	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Cl"	34.969402
"673575"	3056.801602	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Cl"	34.969402
"1285250"	1042.246802	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl"	34.969402
"29628"	2051.503406	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+K"	36.948606
"469918"	3058.780806	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+K"	36.948606
"845165"	1044.226006	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+K"	36.948606
"1567925"	1044.226006	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K-2H"	36.948606
"955808"	1052.275594	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+HCOOH"	44.998194
"371836"	2059.553001	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+HCOOH-H"	44.998201
"351345"	2073.568651	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Hac-H"	59.013851
"1501269"	1066.291251	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Hac-H"	59.013851
"967718"	1074.257551	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+NaCOOH"	66.980151
"113344"	1042.246802	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Cl"	69.938804
"558372"	1545.885502	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Cl"	69.938804
"1030453"	538.608102	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Cl"	69.938804
"1255501"	1086.196285	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Br"	78.918885
"1319617"	1088.252272	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+HCOOH"	80.974872
"1334848"	1110.234229	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+NaCOOH"	102.956829
"926594"	1120.262986	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+CF3COOH"	112.985586
"1302121"	1156.239664	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+CF3COOH"	148.962264
"1381742"	972.264724	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H-2H2O"	-35.012676
"1398296"	990.2747	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H-H2O"	-17.0027
"297103"	2015.562076	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H"	1.007276
"690253"	3022.839476	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H"	1.007276
"1366235"	1008.284676	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H"	1.007276
"137667"	1008.284676	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2H"	2.014552
"579776"	1511.923376	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2H"	2.014552
"1050763"	504.645976	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2H"	2.014552
"214291"	672.525542666667	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+3H"	3.021828
"659203"	1008.284676	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+3H"	3.021828
"1178137"	336.766409333333	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3H"	3.021828
"439141"	2032.588623	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+NH4"	18.033823
"799526"	3039.866023	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+NH4"	18.033823
"1696799"	1025.311223	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4"	18.033823
"345321"	1016.7979495	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+NH4"	19.041099
"736933"	1520.4366495	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+NH4"	19.041099
"1489662"	513.1592495	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+NH4"	19.041099
"407249"	2037.544018	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Na"	22.989218
"768726"	3044.821418	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Na"	22.989218
"1616701"	1030.266618	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na"	22.989218
"327105"	1019.275647	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+Na"	23.996494
"720862"	1522.914347	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+Na"	23.996494
"1475169"	515.636947	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+Na"	23.996494
"1066589"	344.093723333333	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2H+Na"	25.00377
"1259523"	1040.310886	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+CH3OH+H"	33.033486
"377853"	2053.517958	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+K"	38.963158
"744561"	3060.795358	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+K"	38.963158
"1542968"	1046.240558	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K"	38.963158
"303790"	1027.262617	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+K"	39.970434
"699492"	1530.901317	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+K"	39.970434
"1453312"	523.623917	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+K"	39.970434
"244103"	2056.588626	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+ACN+H"	42.033826
"1213533"	1049.311226	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+H"	42.033826
"1199604"	525.159251	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+2H"	43.041102
"196849"	2059.52596	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Na-H"	44.97116
"641876"	3066.80336	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Na-H"	44.97116
"1145383"	1052.24856	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Na-H"	44.97116
"185393"	1030.266618	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Na"	45.978436
"626412"	1533.905318	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Na"	45.978436
"1128460"	526.627918	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Na"	45.978436
"1408706"	351.421037333333	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+2Na"	46.985712
"1440463"	1054.290146	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+HCOOH"	47.012746
"232348"	1035.29964	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+3H2O+2H"	56.04448
"1520776"	1068.34219	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+IsoProp+H"	61.06479
"419369"	1038.253588	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Na+K"	61.952376
"778178"	1541.892288	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Na+K"	61.952376
"1678514"	534.614888	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+K"	61.952376
"263939"	2078.570568	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+ACN+Na"	64.015768
"1237013"	1071.293168	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+Na"	64.015768
"1719339"	1071.316693	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4+HCOOH"	64.039293
"1184693"	358.748351333333	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3Na"	68.967654
"1657866"	1076.272088	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+HCOOH"	68.994688
"162538"	2091.47384	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2K-H"	76.91904
"599182"	3098.75124	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2K-H"	76.91904
"1084466"	1084.19644	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K-H"	76.91904
"147810"	1046.240558	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2K"	77.926316
"587369"	1549.879258	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2K"	77.926316
"1072973"	542.601858	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K"	77.926316
"1101807"	1086.210992	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K+H"	78.933592
"1335612"	1086.298607	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+DMSO+H"	79.021207
"1006963"	1090.337776	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2ACN+H"	83.060376
"1526061"	1091.331408	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+IsoProp+Na+H"	84.054008
"993486"	545.672526	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2ACN+2H"	84.067652
"1601726"	1092.246028	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K+HCOOH"	84.968628
"1426776"	1122.277538	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+CF3COOH"	115.000138
"1157063"	566.185801	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3ACN+2H"	125.094202
"1712331"	1139.304085	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4+CF3COOH"	132.026685
"1649073"	1144.25948	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+CF3COOH"	136.98208
"1586665"	1160.23342	"C04700"	"UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K+CF3COOH"	152.95602
"810470"	1149.3516	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M"	0
"987283"	1130.33321	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-H2O-H"	-19.01839
"64229"	765.227124	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M-3H"	-3.021828
"506341"	1148.344324	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M-3H"	-3.021828
"884142"	382.109924	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-3H"	-3.021828
"2715"	1148.344324	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M-2H"	-2.014552
"444462"	1723.020124	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M-2H"	-2.014552
"819712"	573.668524	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-2H"	-2.014552
"80799"	2297.695924	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M-H"	-1.007276
"522183"	3447.047524	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M-H"	-1.007276
"897795"	1148.344324	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-H"	-1.007276
"47297"	2314.722471	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M-2H+NH4"	16.019271
"487262"	3464.074071	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M-2H+NH4"	16.019271
"871362"	1165.370871	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-2H+NH4"	16.019271
"44373"	2319.677866	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M-2H+Na"	20.974666
"485025"	3469.029466	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M-2H+Na"	20.974666
"863926"	1170.326266	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-2H+Na"	20.974666
"1633090"	1170.326266	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Na-2H"	20.974666
"107071"	1166.332663	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M-H+Cl"	33.962126
"548944"	1741.008463	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M-H+Cl"	33.962126
"939421"	591.656863	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-H+Cl"	33.962126
"281139"	2333.672602	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+Cl"	34.969402
"672587"	3483.024202	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+Cl"	34.969402
"1287183"	1184.321002	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Cl"	34.969402
"29010"	2335.651806	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M-2H+K"	36.948606
"470517"	3485.003406	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M-2H+K"	36.948606
"847833"	1186.300206	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-2H+K"	36.948606
"1568765"	1186.300206	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+K-2H"	36.948606
"953732"	1194.349794	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-H+HCOOH"	44.998194
"375108"	2343.701401	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+HCOOH-H"	44.998201
"354736"	2357.717051	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+Hac-H"	59.013851
"1504660"	1208.365451	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Hac-H"	59.013851
"971108"	1216.331751	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-H+NaCOOH"	66.980151
"117828"	1184.321002	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+2Cl"	69.938804
"557389"	1758.996802	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+2Cl"	69.938804
"1029470"	609.645202	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2Cl"	69.938804
"1255249"	1228.270485	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Br"	78.918885
"1319854"	1230.326472	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Cl+HCOOH"	80.974872
"1335556"	1252.308429	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Cl+NaCOOH"	102.956829
"926916"	1262.337186	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M-H+CF3COOH"	112.985586
"1303574"	1298.313864	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Cl+CF3COOH"	148.962264
"1381975"	1114.338924	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H-2H2O"	-35.012676
"1398435"	1132.3489	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H-H2O"	-17.0027
"298065"	2299.710476	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+H"	1.007276
"690935"	3449.062076	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+H"	1.007276
"1366347"	1150.358876	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H"	1.007276
"139599"	1150.358876	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+2H"	2.014552
"580251"	1725.034676	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+2H"	2.014552
"1049416"	575.683076	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2H"	2.014552
"215495"	767.241676	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+3H"	3.021828
"658704"	1150.358876	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+3H"	3.021828
"1176829"	384.124476	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+3H"	3.021828
"439497"	2316.737023	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+NH4"	18.033823
"800002"	3466.088623	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+NH4"	18.033823
"1696876"	1167.385423	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+NH4"	18.033823
"345513"	1158.8721495	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+H+NH4"	19.041099
"738385"	1733.5479495	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+H+NH4"	19.041099
"1491595"	584.1963495	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H+NH4"	19.041099
"408502"	2321.692418	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+Na"	22.989218
"769690"	3471.044018	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+Na"	22.989218
"1617544"	1172.340818	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Na"	22.989218
"328311"	1161.349847	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+H+Na"	23.996494
"720002"	1736.025647	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+H+Na"	23.996494
"1474186"	586.674047	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H+Na"	23.996494
"1066825"	391.45179	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2H+Na"	25.00377
"1260361"	1182.385086	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+CH3OH+H"	33.033486
"383675"	2337.666358	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+K"	38.963158
"745764"	3487.017958	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+K"	38.963158
"1545630"	1188.314758	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+K"	38.963158
"303900"	1169.336817	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+H+K"	39.970434
"699604"	1744.012617	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+H+K"	39.970434
"1454516"	594.661017	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H+K"	39.970434
"243120"	2340.737026	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+ACN+H"	42.033826
"1213643"	1191.385426	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+ACN+H"	42.033826
"1206277"	596.196351	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+ACN+2H"	43.041102
"202427"	2343.67436	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+2Na-H"	44.97116
"639800"	3493.02596	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+2Na-H"	44.97116
"1146676"	1194.32276	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2Na-H"	44.97116
"185503"	1172.340818	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+2Na"	45.978436
"627133"	1747.016618	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+2Na"	45.978436
"1127479"	597.665018	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2Na"	45.978436
"1411002"	398.779104	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H+2Na"	46.985712
"1438750"	1196.364346	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H+HCOOH"	47.012746
"233672"	1177.37384	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+3H2O+2H"	56.04448
"1519793"	1210.41639	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+IsoProp+H"	61.06479
"420574"	1180.327788	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+Na+K"	61.952376
"779381"	1755.003588	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+Na+K"	61.952376
"1679354"	605.651988	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Na+K"	61.952376
"264049"	2362.718968	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+ACN+Na"	64.015768
"1236031"	1213.367368	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+ACN+Na"	64.015768
"1719448"	1213.390893	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+NH4+HCOOH"	64.039293
"1186991"	406.106418	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+3Na"	68.967654
"1657976"	1218.346288	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Na+HCOOH"	68.994688
"162651"	2375.62224	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+2K-H"	76.91904
"600026"	3524.97384	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+2K-H"	76.91904
"1088913"	1226.27064	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2K-H"	76.91904
"147920"	1188.314758	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"2M+2K"	77.926316
"589667"	1762.990558	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"3M+2K"	77.926316
"1074179"	613.638958	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2K"	77.926316
"1104107"	1228.285192	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2K+H"	78.933592
"1339398"	1228.372807	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+DMSO+H"	79.021207
"1009021"	1232.411976	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2ACN+H"	83.060376
"1530426"	1233.405608	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+IsoProp+Na+H"	84.054008
"992502"	616.709626	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+2ACN+2H"	84.067652
"1597946"	1234.320228	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+K+HCOOH"	84.968628
"1427979"	1264.351738	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+H+CF3COOH"	115.000138
"1157173"	637.222901	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+3ACN+2H"	125.094202
"1712401"	1281.378285	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+NH4+CF3COOH"	132.026685
"1649184"	1286.33368	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+Na+CF3COOH"	136.98208
"1586775"	1302.30762	"C04702"	"UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C40H65N9O26P2"	"1149.3516"	"M+K+CF3COOH"	152.95602
"812767"	334.0665	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M"	0
"983019"	315.04811	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H2O-H"	-19.01839
"70172"	221.703724	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-3H"	-3.021828
"510825"	333.059224	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-3H"	-3.021828
"888626"	110.348224	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-3H"	-3.021828
"6470"	333.059224	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H"	-2.014552
"446759"	500.092474	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H"	-2.014552
"822009"	166.025974	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H"	-2.014552
"80544"	667.125724	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-H"	-1.007276
"522657"	1001.192224	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-H"	-1.007276
"898270"	333.059224	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H"	-1.007276
"47327"	684.152271	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+NH4"	16.019271
"487182"	1018.218771	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+NH4"	16.019271
"872568"	350.085771	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+NH4"	16.019271
"41563"	689.107666	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+Na"	20.974666
"486594"	1023.174166	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+Na"	20.974666
"864182"	355.041166	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+Na"	20.974666
"1633854"	355.041166	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na-2H"	20.974666
"107181"	351.047563	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-H+Cl"	33.962126
"549755"	518.080813	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-H+Cl"	33.962126
"941356"	184.014313	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+Cl"	33.962126
"280277"	703.102402	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Cl"	34.969402
"675129"	1037.168902	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Cl"	34.969402
"1288023"	369.035902	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl"	34.969402
"30822"	705.081606	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+K"	36.948606
"471302"	1039.148106	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+K"	36.948606
"848378"	371.015106	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+K"	36.948606
"1570618"	371.015106	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K-2H"	36.948606
"956030"	379.064694	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+HCOOH"	44.998194
"375339"	713.131201	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+HCOOH-H"	44.998201
"359829"	727.146851	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Hac-H"	59.013851
"1506957"	393.080351	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Hac-H"	59.013851
"971218"	401.046651	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+NaCOOH"	66.980151
"119032"	369.035902	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Cl"	69.938804
"557498"	536.069152	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Cl"	69.938804
"1029580"	202.002652	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Cl"	69.938804
"1254630"	412.985385	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Br"	78.918885
"1319395"	415.041372	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+HCOOH"	80.974872
"1335279"	437.023329	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+NaCOOH"	102.956829
"925271"	447.052086	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+CF3COOH"	112.985586
"1302344"	483.028764	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+CF3COOH"	148.962264
"1381720"	299.053824	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H-2H2O"	-35.012676
"1396912"	317.0638	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H-H2O"	-17.0027
"298253"	669.140276	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H"	1.007276
"690478"	1003.206776	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H"	1.007276
"1365367"	335.073776	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H"	1.007276
"140437"	335.073776	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2H"	2.014552
"579996"	502.107026	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2H"	2.014552
"1049890"	168.040526	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2H"	2.014552
"215605"	223.718276	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+3H"	3.021828
"657351"	335.073776	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+3H"	3.021828
"1177180"	112.362776	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3H"	3.021828
"439848"	686.166823	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+NH4"	18.033823
"800842"	1020.233323	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+NH4"	18.033823
"1695972"	352.100323	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4"	18.033823
"345585"	343.5870495	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+NH4"	19.041099
"738250"	510.6202995	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+NH4"	19.041099
"1491949"	176.5537995	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+NH4"	19.041099
"407467"	691.122218	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Na"	22.989218
"768951"	1025.188718	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Na"	22.989218
"1615833"	357.055718	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na"	22.989218
"327692"	346.064747	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+Na"	23.996494
"720110"	513.097997	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+Na"	23.996494
"1470289"	179.031497	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+Na"	23.996494
"1067419"	119.69009	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2H+Na"	25.00377
"1259743"	367.099986	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+CH3OH+H"	33.033486
"381599"	707.096158	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+K"	38.963158
"744782"	1041.162658	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+K"	38.963158
"1547928"	373.029658	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K"	38.963158
"307290"	354.051717	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+K"	39.970434
"702994"	521.084967	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+K"	39.970434
"1454627"	187.018467	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+K"	39.970434
"243230"	710.166826	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+ACN+H"	42.033826
"1214117"	376.100326	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+H"	42.033826
"1206387"	188.553801	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+2H"	43.041102
"200350"	713.10416	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Na-H"	44.97116
"639910"	1047.17066	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Na-H"	44.97116
"1146697"	379.03766	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Na-H"	44.97116
"182333"	357.055718	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Na"	45.978436
"628054"	524.088968	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Na"	45.978436
"1129777"	190.022468	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Na"	45.978436
"1412207"	127.017404	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+2Na"	46.985712
"1441048"	381.079246	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+HCOOH"	47.012746
"235119"	362.08874	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+3H2O+2H"	56.04448
"1523428"	395.13129	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+IsoProp+H"	61.06479
"423842"	365.042688	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Na+K"	61.952376
"780583"	532.075938	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Na+K"	61.952376
"1678734"	198.009438	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+K"	61.952376
"264523"	732.148768	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+ACN+Na"	64.015768
"1238327"	398.082268	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+Na"	64.015768
"1719558"	398.105793	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4+HCOOH"	64.039293
"1184914"	134.344718	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3Na"	68.967654
"1658086"	403.061188	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+HCOOH"	68.994688
"166041"	745.05204	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2K-H"	76.91904
"600136"	1079.11854	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2K-H"	76.91904
"1089023"	410.98554	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K-H"	76.91904
"154591"	373.029658	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2K"	77.926316
"594151"	540.062908	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2K"	77.926316
"1080849"	205.996408	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K"	77.926316
"1106404"	413.000092	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K+H"	78.933592
"1342788"	413.087707	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+DMSO+H"	79.021207
"1012412"	417.126876	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2ACN+H"	83.060376
"1533816"	418.120508	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+IsoProp+Na+H"	84.054008
"992612"	209.067076	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2ACN+2H"	84.067652
"1600244"	419.035128	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K+HCOOH"	84.968628
"1426996"	449.066638	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+CF3COOH"	115.000138
"1157283"	229.580351	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3ACN+2H"	125.094202
"1712309"	466.093185	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4+CF3COOH"	132.026685
"1649415"	471.04858	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+CF3COOH"	136.98208
"1586885"	487.02252	"C04703"	"alpha-D-Galactosyl-(11)-sn-glycerol 3-phosphate;1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K+CF3COOH"	152.95602
"810690"	173.972	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M"	0
"983129"	154.95361	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-H2O-H"	-19.01839
"69187"	114.974057333333	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M-3H"	-3.021828
"505467"	172.964724	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M-3H"	-3.021828
"884361"	56.9833906666667	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-3H"	-3.021828
"5122"	172.964724	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M-2H"	-2.014552
"444681"	259.950724	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M-2H"	-2.014552
"821390"	85.978724	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-2H"	-2.014552
"82478"	346.936724	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M-H"	-1.007276
"519122"	520.908724	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M-H"	-1.007276
"897653"	172.964724	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-H"	-1.007276
"47283"	363.963271	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M-2H+NH4"	16.019271
"487144"	537.935271	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M-2H+NH4"	16.019271
"871584"	189.991271	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-2H+NH4"	16.019271
"38393"	368.918666	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M-2H+Na"	20.974666
"484516"	542.890666	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M-2H+Na"	20.974666
"863621"	194.946666	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-2H+Na"	20.974666
"1630759"	194.946666	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Na-2H"	20.974666
"109942"	190.953063	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M-H+Cl"	33.962126
"549819"	277.939063	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M-H+Cl"	33.962126
"942438"	103.967063	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-H+Cl"	33.962126
"281116"	382.913402	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+Cl"	34.969402
"675555"	556.885402	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+Cl"	34.969402
"1288259"	208.941402	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Cl"	34.969402
"30856"	384.892606	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M-2H+K"	36.948606
"471351"	558.864606	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M-2H+K"	36.948606
"848318"	210.920606	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-2H+K"	36.948606
"1571213"	210.920606	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+K-2H"	36.948606
"958491"	218.970194	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-H+HCOOH"	44.998194
"376179"	392.942201	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+HCOOH-H"	44.998201
"359331"	406.957851	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+Hac-H"	59.013851
"1507800"	232.985851	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Hac-H"	59.013851
"972059"	240.952151	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-H+NaCOOH"	66.980151
"122058"	208.941402	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+2Cl"	69.938804
"560888"	295.927402	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+2Cl"	69.938804
"1029690"	121.955402	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2Cl"	69.938804
"1256562"	252.890885	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Br"	78.918885
"1318285"	254.946872	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Cl+HCOOH"	80.974872
"1335297"	276.928829	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Cl+NaCOOH"	102.956829
"925015"	286.957586	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M-H+CF3COOH"	112.985586
"1302089"	322.934264	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Cl+CF3COOH"	148.962264
"1380980"	138.959324	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H-2H2O"	-35.012676
"1397022"	156.9693	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H-H2O"	-17.0027
"297432"	348.951276	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+H"	1.007276
"690100"	522.923276	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+H"	1.007276
"1365479"	174.979276	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H"	1.007276
"140062"	174.979276	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+2H"	2.014552
"575732"	261.965276	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+2H"	2.014552
"1047814"	87.993276	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2H"	2.014552
"213528"	116.988609333333	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+3H"	3.021828
"654182"	174.979276	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+3H"	3.021828
"1174495"	58.9979426666667	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+3H"	3.021828
"438741"	365.977823	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+NH4"	18.033823
"798760"	539.949823	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+NH4"	18.033823
"1694741"	192.005823	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+NH4"	18.033823
"344110"	183.4925495	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+H+NH4"	19.041099
"738115"	270.4785495	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+H+NH4"	19.041099
"1491814"	96.5065495	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H+NH4"	19.041099
"405388"	370.933218	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+Na"	22.989218
"768573"	544.905218	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+Na"	22.989218
"1614848"	196.961218	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Na"	22.989218
"326709"	185.970247	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+H+Na"	23.996494
"718761"	272.956247	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+H+Na"	23.996494
"1470397"	98.984247	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H+Na"	23.996494
"1064736"	66.3252566666667	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2H+Na"	25.00377
"1260217"	207.005486	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+CH3OH+H"	33.033486
"380615"	386.907158	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+K"	38.963158
"744891"	560.879158	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+K"	38.963158
"1545851"	212.935158	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+K"	38.963158
"304120"	193.957217	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+H+K"	39.970434
"700918"	280.943217	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+H+K"	39.970434
"1452550"	106.971217	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H+K"	39.970434
"238965"	389.977826	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+ACN+H"	42.033826
"1210337"	216.005826	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+ACN+H"	42.033826
"1208684"	108.506551	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+ACN+2H"	43.041102
"200460"	392.91516	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+2Na-H"	44.97116
"640020"	566.88716	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+2Na-H"	44.97116
"1145714"	218.94316	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2Na-H"	44.97116
"182443"	196.961218	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+2Na"	45.978436
"627476"	283.947218	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+2Na"	45.978436
"1126606"	109.975218	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2Na"	45.978436
"1410130"	73.6525706666667	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H+2Na"	46.985712
"1440065"	220.984746	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H+HCOOH"	47.012746
"233043"	201.99424	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+3H2O+2H"	56.04448
"1524112"	235.03679	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+IsoProp+H"	61.06479
"423710"	204.948188	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+Na+K"	61.952376
"780693"	291.934188	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+Na+K"	61.952376
"1678115"	117.962188	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Na+K"	61.952376
"264633"	411.959768	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+ACN+Na"	64.015768
"1236250"	237.987768	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+ACN+Na"	64.015768
"1721855"	238.011293	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+NH4+HCOOH"	64.039293
"1186117"	80.9798846666667	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+3Na"	68.967654
"1658197"	242.966688	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Na+HCOOH"	68.994688
"167246"	424.86304	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+2K-H"	76.91904
"601339"	598.83504	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+2K-H"	76.91904
"1088040"	250.89104	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2K-H"	76.91904
"154701"	212.935158	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"2M+2K"	77.926316
"593168"	299.921158	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"3M+2K"	77.926316
"1078773"	125.949158	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2K"	77.926316
"1106514"	252.905592	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2K+H"	78.933592
"1342898"	252.993207	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+DMSO+H"	79.021207
"1012522"	257.032376	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2ACN+H"	83.060376
"1532833"	258.026008	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+IsoProp+Na+H"	84.054008
"994908"	129.019826	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+2ACN+2H"	84.067652
"1600354"	258.940628	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+K+HCOOH"	84.968628
"1427106"	288.972138	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+H+CF3COOH"	115.000138
"1157393"	149.533101	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+3ACN+2H"	125.094202
"1712420"	305.998685	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+NH4+CF3COOH"	132.026685
"1649525"	310.95408	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+Na+CF3COOH"	136.98208
"1586995"	326.92802	"C04706"	"cis-2-Chloro-4-carboxymethylenebut-2-en-14-olide;cis-2-Chlorodienelactone;cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide"	"C6H3ClO4"	"173.972"	"M+K+CF3COOH"	152.95602
"810800"	350.2093	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M"	0
"984332"	331.19091	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"70390"	232.465590666667	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"505577"	349.202024	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"886657"	115.729157333333	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"6325"	349.202024	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"444791"	524.306674	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"822593"	174.097374	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"82588"	699.411324	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"521052"	1049.620624	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"896788"	349.202024	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"47196"	716.437871	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"487391"	1066.647171	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"871694"	366.228571	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"34856"	721.393266	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"475510"	1071.602566	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"852585"	371.183966	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1623211"	371.183966	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"99743"	367.190363	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"540396"	542.295013	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"940113"	192.085713	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"280132"	735.388002	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"674254"	1085.597302	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1288325"	385.178702	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"30070"	737.367206	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"471052"	1087.576506	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"848164"	387.157906	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1569097"	387.157906	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"955886"	395.207494	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"374465"	745.416801	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"358347"	759.432451	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1502804"	409.223151	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"970346"	417.189451	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"117066"	385.178702	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"554439"	560.283352	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1029800"	210.074052	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1252661"	429.128185	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1319696"	431.184172	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1334436"	453.166129	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"925125"	463.194886	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1302931"	499.171564	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1382666"	315.196624	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1397375"	333.2066	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"298035"	701.425876	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"690334"	1051.635176	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1365589"	351.216576	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"140538"	351.216576	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"574749"	526.321226	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1048653"	176.111926	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"213638"	234.480142666667	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"653197"	351.216576	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1174604"	117.743709333333	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"435688"	718.452423	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"797775"	1068.661723	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1693754"	368.243123	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"341301"	359.7298495	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"734821"	534.8344995	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1486450"	184.6251995	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"406224"	723.407818	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"767218"	1073.617118	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1615684"	373.198518	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"325356"	362.207547	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"718871"	537.312197	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1470505"	187.102897	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1062653"	125.071023333333	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1257136"	383.242786	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"377318"	739.381758	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"742085"	1089.591058	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1542678"	389.172458	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"299855"	370.194517	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"697017"	545.299167	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1449742"	195.089867	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"237615"	742.452426	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1211904"	392.243126	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1198221"	196.625201	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"194373"	745.38976	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"635754"	1095.59906	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1139262"	395.18046	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"183646"	373.198518	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"622114"	548.303168	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1125623"	198.093868	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1408781"	132.398337333333	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1434706"	397.222046	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"227685"	378.23154	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1521215"	411.27409	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"415434"	381.185488	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"779708"	556.290138	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1673850"	206.080838	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"259275"	764.434368	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1230891"	414.225068	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1717591"	414.248593	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1181122"	139.725651333333	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1653932"	419.203988	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"158723"	777.33764	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"597230"	1127.54694	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1084864"	427.12834	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"151530"	389.172458	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"587809"	564.277108	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1073413"	214.067808	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1101395"	429.142892	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1336192"	429.230507	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1008257"	433.269676	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1524793"	434.263308	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"992832"	217.138476	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1599369"	435.177928	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1423934"	465.209438	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1157503"	237.651751	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1712407"	482.235985	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1649799"	487.19138	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1580544"	503.16532	"C04707"	"(5Z13E)-11alpha-Hydroxy-915-dioxoprost-13-enoate;(5Z)-(15S)-11alpha-Hydroxy-915-dioxoprosta-13-enoate"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"813098"	727.2191	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M"	0
"974725"	708.20071	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-H2O-H"	-19.01839
"63326"	483.805457333333	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M-3H"	-3.021828
"504592"	726.211824	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M-3H"	-3.021828
"882391"	241.399090666667	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-3H"	-3.021828
"3518"	726.211824	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H"	-2.014552
"443079"	1089.821374	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H"	-2.014552
"817717"	362.602274	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H"	-2.014552
"81603"	1453.430924	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M-H"	-1.007276
"520919"	2180.650024	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M-H"	-1.007276
"898599"	726.211824	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-H"	-1.007276
"48235"	1470.457471	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H+NH4"	16.019271
"492179"	2197.676571	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H+NH4"	16.019271
"870713"	743.238371	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H+NH4"	16.019271
"34966"	1475.412866	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H+Na"	20.974666
"478173"	2202.631966	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H+Na"	20.974666
"858163"	748.193766	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H+Na"	20.974666
"1626605"	748.193766	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na-2H"	20.974666
"99853"	744.200163	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M-H+Cl"	33.962126
"546708"	1107.809713	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M-H+Cl"	33.962126
"937314"	380.590613	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+Cl"	33.962126
"276962"	1489.407602	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Cl"	34.969402
"674370"	2216.626702	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+Cl"	34.969402
"1287261"	762.188502	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl"	34.969402
"30182"	1491.386806	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M-2H+K"	36.948606
"470469"	2218.605906	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M-2H+K"	36.948606
"847427"	764.167706	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-2H+K"	36.948606
"1569207"	764.167706	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+K-2H"	36.948606
"956725"	772.217294	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+HCOOH"	44.998194
"375305"	1499.436401	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+HCOOH-H"	44.998201
"358457"	1513.452051	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Hac-H"	59.013851
"1504007"	786.232951	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Hac-H"	59.013851
"970456"	794.199251	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+NaCOOH"	66.980151
"113896"	762.188502	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2Cl"	69.938804
"553455"	1125.798052	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2Cl"	69.938804
"1035748"	398.578952	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2Cl"	69.938804
"1256669"	806.137985	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Br"	78.918885
"1319606"	808.193972	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl+HCOOH"	80.974872
"1335446"	830.175929	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl+NaCOOH"	102.956829
"926745"	840.204686	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M-H+CF3COOH"	112.985586
"1302674"	876.181364	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Cl+CF3COOH"	148.962264
"1381564"	692.206424	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H-2H2O"	-35.012676
"1396507"	710.2164	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H-H2O"	-17.0027
"296436"	1455.445476	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H"	1.007276
"688980"	2182.664576	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H"	1.007276
"1364965"	728.226376	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H"	1.007276
"137854"	728.226376	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2H"	2.014552
"577414"	1091.835926	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2H"	2.014552
"1046940"	364.616826	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2H"	2.014552
"213747"	485.820009333333	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+3H"	3.021828
"652214"	728.226376	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+3H"	3.021828
"1168151"	243.413642666667	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+3H"	3.021828
"431426"	1472.472023	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+NH4"	18.033823
"799723"	2199.691123	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+NH4"	18.033823
"1694227"	745.252923	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+NH4"	18.033823
"342505"	736.7396495	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H+NH4"	19.041099
"730552"	1100.3491995	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H+NH4"	19.041099
"1484374"	373.1300995	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+NH4"	19.041099
"403053"	1477.427418	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Na"	22.989218
"766964"	2204.646518	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+Na"	22.989218
"1614699"	750.208318	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na"	22.989218
"324372"	739.217347	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H+Na"	23.996494
"718615"	1102.826897	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H+Na"	23.996494
"1468427"	375.607797	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+Na"	23.996494
"1052965"	250.740956666667	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2H+Na"	25.00377
"1261896"	760.252586	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+CH3OH+H"	33.033486
"379376"	1493.401358	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+K"	38.963158
"741100"	2220.620458	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+K"	38.963158
"1541206"	766.182258	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+K"	38.963158
"300693"	747.204317	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+H+K"	39.970434
"692748"	1110.813867	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+H+K"	39.970434
"1446323"	383.594767	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+K"	39.970434
"238822"	1496.472026	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+ACN+H"	42.033826
"1214812"	769.252926	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+ACN+H"	42.033826
"1197602"	385.130101	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+ACN+2H"	43.041102
"192295"	1499.40936	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2Na-H"	44.97116
"633677"	2226.62846	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2Na-H"	44.97116
"1134996"	772.19026	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2Na-H"	44.97116
"181572"	750.208318	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2Na"	45.978436
"622227"	1113.817868	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2Na"	45.978436
"1121359"	386.598768	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2Na"	45.978436
"1404885"	258.068270666667	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+2Na"	46.985712
"1434817"	774.231846	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+HCOOH"	47.012746
"228889"	755.24134	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+3H2O+2H"	56.04448
"1518045"	788.28389	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+IsoProp+H"	61.06479
"415544"	758.195288	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+Na+K"	61.952376
"775444"	1121.804838	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+Na+K"	61.952376
"1671773"	394.585738	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na+K"	61.952376
"255374"	1518.453968	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+ACN+Na"	64.015768
"1228450"	791.234868	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+ACN+Na"	64.015768
"1716604"	791.258393	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+NH4+HCOOH"	64.039293
"1180136"	265.395584666667	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+3Na"	68.967654
"1652948"	796.213788	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na+HCOOH"	68.994688
"158230"	1531.35724	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2K-H"	76.91904
"600833"	2258.57634	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2K-H"	76.91904
"1091543"	804.13814	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2K-H"	76.91904
"145443"	766.182258	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"2M+2K"	77.926316
"582451"	1129.791808	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"3M+2K"	77.926316
"1072429"	402.572708	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2K"	77.926316
"1100651"	806.152692	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2K+H"	78.933592
"1336099"	806.240307	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+DMSO+H"	79.021207
"1006054"	810.279476	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2ACN+H"	83.060376
"1536338"	811.273108	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+IsoProp+Na+H"	84.054008
"1004494"	405.643376	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+2ACN+2H"	84.067652
"1602363"	812.187728	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+K+HCOOH"	84.968628
"1421859"	842.219238	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+H+CF3COOH"	115.000138
"1162561"	426.156651	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+3ACN+2H"	125.094202
"1708260"	859.245785	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+NH4+CF3COOH"	132.026685
"1642817"	864.20118	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+Na+CF3COOH"	136.98208
"1577374"	880.17512	"C04709"	"3-Deoxydihydrostreptomycin 3alpha6-bisphosphate"	"C21H43N7O17P2"	"727.2191"	"M+K+CF3COOH"	152.95602
"814301"	292.0228	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M"	0
"979086"	273.00441	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-H2O-H"	-19.01839
"67328"	193.674590666667	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M-3H"	-3.021828
"506888"	291.015524	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M-3H"	-3.021828
"882501"	96.3336573333333	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-3H"	-3.021828
"2534"	291.015524	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M-2H"	-2.014552
"443189"	437.026924	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M-2H"	-2.014552
"817383"	145.004124	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-2H"	-2.014552
"79196"	583.038324	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M-H"	-1.007276
"519323"	875.061124	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M-H"	-1.007276
"897980"	291.015524	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-H"	-1.007276
"48588"	600.064871	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M-2H+NH4"	16.019271
"493017"	892.087671	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M-2H+NH4"	16.019271
"873009"	308.042071	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-2H+NH4"	16.019271
"36169"	605.020266	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M-2H+Na"	20.974666
"478283"	897.043066	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M-2H+Na"	20.974666
"858273"	312.997466	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-2H+Na"	20.974666
"1629996"	312.997466	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Na-2H"	20.974666
"99963"	309.003863	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M-H+Cl"	33.962126
"542809"	455.015263	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M-H+Cl"	33.962126
"936329"	162.992463	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-H+Cl"	33.962126
"278166"	619.015002	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+Cl"	34.969402
"673748"	911.037802	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+Cl"	34.969402
"1286273"	326.992202	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Cl"	34.969402
"29438"	620.994206	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M-2H+K"	36.948606
"469121"	913.017006	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M-2H+K"	36.948606
"846558"	328.971406	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-2H+K"	36.948606
"1569927"	328.971406	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+K-2H"	36.948606
"956833"	337.020994	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-H+HCOOH"	44.998194
"375414"	629.043801	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+HCOOH-H"	44.998201
"354192"	643.059451	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+Hac-H"	59.013851
"1498650"	351.036651	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Hac-H"	59.013851
"966191"	359.002951	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-H+NaCOOH"	66.980151
"115099"	326.992202	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+2Cl"	69.938804
"551375"	473.003602	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+2Cl"	69.938804
"1035129"	180.980802	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2Cl"	69.938804
"1255441"	370.941685	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Br"	78.918885
"1319471"	372.997672	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Cl+HCOOH"	80.974872
"1335350"	394.979629	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Cl+NaCOOH"	102.956829
"927031"	405.008386	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M-H+CF3COOH"	112.985586
"1302784"	440.985064	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Cl+CF3COOH"	148.962264
"1380215"	257.010124	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H-2H2O"	-35.012676
"1394793"	275.0201	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H-H2O"	-17.0027
"294843"	585.052876	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+H"	1.007276
"689818"	877.075676	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+H"	1.007276
"1362519"	293.030076	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H"	1.007276
"137231"	293.030076	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+2H"	2.014552
"574970"	439.041476	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+2H"	2.014552
"1047050"	147.018676	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2H"	2.014552
"211670"	195.689142666667	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+3H"	3.021828
"650137"	293.030076	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+3H"	3.021828
"1170448"	98.3482093333333	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+3H"	3.021828
"439312"	602.079423	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+NH4"	18.033823
"801250"	894.102223	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+NH4"	18.033823
"1696524"	310.056623	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+NH4"	18.033823
"342613"	301.5433495	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+H+NH4"	19.041099
"732848"	447.5547495	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+H+NH4"	19.041099
"1485577"	155.5319495	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H+NH4"	19.041099
"402069"	607.034818	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+Na"	22.989218
"765251"	899.057618	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+Na"	22.989218
"1615537"	315.012018	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Na"	22.989218
"325576"	304.021047	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+H+Na"	23.996494
"717996"	450.032447	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+H+Na"	23.996494
"1466351"	158.009647	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H+Na"	23.996494
"1054493"	105.675523333333	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2H+Na"	25.00377
"1261276"	325.056286	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+CH3OH+H"	33.033486
"381672"	623.008758	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+K"	38.963158
"744125"	915.031558	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+K"	38.963158
"1542167"	330.985958	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+K"	38.963158
"305540"	312.008017	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+H+K"	39.970434
"694681"	458.019417	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+H+K"	39.970434
"1446678"	165.996617	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H+K"	39.970434
"240389"	626.079426	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+ACN+H"	42.033826
"1215286"	334.056626	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+ACN+H"	42.033826
"1199898"	167.531951	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+ACN+2H"	43.041102
"194591"	629.01676	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+2Na-H"	44.97116
"634880"	921.03956	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+2Na-H"	44.97116
"1135470"	336.99396	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2Na-H"	44.97116
"180588"	315.012018	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+2Na"	45.978436
"624523"	461.023418	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+2Na"	45.978436
"1121469"	169.000618	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2Na"	45.978436
"1404995"	113.002837333333	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H+2Na"	46.985712
"1434927"	339.035546	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H+HCOOH"	47.012746
"227906"	320.04504	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+3H2O+2H"	56.04448
"1515968"	353.08759	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+IsoProp+H"	61.06479
"414560"	322.998988	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+Na+K"	61.952376
"774823"	469.010388	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+Na+K"	61.952376
"1672976"	176.987588	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Na+K"	61.952376
"256942"	648.061368	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+ACN+Na"	64.015768
"1229650"	356.038568	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+ACN+Na"	64.015768
"1717078"	356.062093	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+NH4+HCOOH"	64.039293
"1180607"	120.330151333333	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+3Na"	68.967654
"1651227"	361.017488	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Na+HCOOH"	68.994688
"159555"	660.96464	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+2K-H"	76.91904
"601672"	952.98744	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+2K-H"	76.91904
"1091653"	368.94184	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2K-H"	76.91904
"145189"	330.985958	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"2M+2K"	77.926316
"585839"	476.997358	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"3M+2K"	77.926316
"1069985"	184.974558	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2K"	77.926316
"1100026"	370.956392	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2K+H"	78.933592
"1335844"	371.044007	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+DMSO+H"	79.021207
"1007138"	375.083176	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2ACN+H"	83.060376
"1535355"	376.076808	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+IsoProp+Na+H"	84.054008
"1004604"	188.045226	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+2ACN+2H"	84.067652
"1602700"	376.991428	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+K+HCOOH"	84.968628
"1424155"	407.022938	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+H+CF3COOH"	115.000138
"1161007"	208.558501	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+3ACN+2H"	125.094202
"1707277"	424.049485	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+NH4+CF3COOH"	132.026685
"1642927"	429.00488	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+Na+CF3COOH"	136.98208
"1577484"	444.97882	"C04711"	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-22-bithiophene"	"C14H12O3S2"	"292.0228"	"M+K+CF3COOH"	152.95602
"812954"	414.0733	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M"	0
"980292"	395.05491	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-H2O-H"	-19.01839
"65254"	275.041590666667	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M-3H"	-3.021828
"504812"	413.066024	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M-3H"	-3.021828
"885893"	137.017157333333	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-3H"	-3.021828
"2280"	413.066024	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M-2H"	-2.014552
"440868"	620.102674	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M-2H"	-2.014552
"820739"	206.029374	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-2H"	-2.014552
"81823"	827.139324	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M-H"	-1.007276
"519555"	1241.212624	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M-H"	-1.007276
"898090"	413.066024	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-H"	-1.007276
"49913"	844.165871	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M-2H+NH4"	16.019271
"501513"	1258.239171	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M-2H+NH4"	16.019271
"873119"	430.092571	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-2H+NH4"	16.019271
"36280"	849.121266	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M-2H+Na"	20.974666
"478393"	1263.194566	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M-2H+Na"	20.974666
"851090"	435.047966	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-2H+Na"	20.974666
"1626824"	435.047966	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Na-2H"	20.974666
"101166"	431.054363	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M-H+Cl"	33.962126
"546199"	638.091013	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M-H+Cl"	33.962126
"936432"	224.017713	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-H+Cl"	33.962126
"279371"	863.116002	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+Cl"	34.969402
"669604"	1277.189302	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+Cl"	34.969402
"1286016"	449.042702	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Cl"	34.969402
"29913"	865.095206	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M-2H+K"	36.948606
"469596"	1279.168506	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M-2H+K"	36.948606
"847032"	451.021906	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-2H+K"	36.948606
"1570772"	451.021906	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+K-2H"	36.948606
"957307"	459.071494	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-H+HCOOH"	44.998194
"375891"	873.144801	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+HCOOH-H"	44.998201
"356489"	887.160451	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+Hac-H"	59.013851
"1499853"	473.087151	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Hac-H"	59.013851
"966301"	481.053451	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-H+NaCOOH"	66.980151
"115209"	449.042702	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+2Cl"	69.938804
"552581"	656.079352	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+2Cl"	69.938804
"1035610"	242.006052	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2Cl"	69.938804
"1256689"	492.992185	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Br"	78.918885
"1317999"	495.048172	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Cl+HCOOH"	80.974872
"1333308"	517.030129	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Cl+NaCOOH"	102.956829
"924003"	527.058886	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M-H+CF3COOH"	112.985586
"1301804"	563.035564	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Cl+CF3COOH"	148.962264
"1380327"	379.060624	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H-2H2O"	-35.012676
"1396000"	397.0706	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H-H2O"	-17.0027
"292767"	829.153876	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+H"	1.007276
"688106"	1243.227176	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+H"	1.007276
"1364454"	415.080576	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H"	1.007276
"136611"	415.080576	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+2H"	2.014552
"575080"	622.117226	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+2H"	2.014552
"1047159"	208.043926	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2H"	2.014552
"211778"	277.056142666667	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+3H"	3.021828
"652435"	415.080576	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+3H"	3.021828
"1169463"	139.031709333333	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+3H"	3.021828
"437109"	846.180423	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+NH4"	18.033823
"799210"	1260.253723	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+NH4"	18.033823
"1694082"	432.107123	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+NH4"	18.033823
"340538"	423.5938495	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+H+NH4"	19.041099
"730774"	630.6304995	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+H+NH4"	19.041099
"1480948"	216.5571995	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H+NH4"	19.041099
"395254"	851.135818	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+Na"	22.989218
"758802"	1265.209118	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+Na"	22.989218
"1614553"	437.062518	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Na"	22.989218
"321312"	426.071547	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+H+Na"	23.996494
"719200"	633.108197	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+H+Na"	23.996494
"1470832"	219.034897	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H+Na"	23.996494
"1056427"	146.359023333333	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2H+Na"	25.00377
"1261020"	447.106786	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+CH3OH+H"	33.033486
"382512"	867.109758	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+K"	38.963158
"749702"	1281.183058	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+K"	38.963158
"1549568"	453.036458	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+K"	38.963158
"307837"	434.058517	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+H+K"	39.970434
"698071"	641.095167	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+H+K"	39.970434
"1447517"	227.021867	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H+K"	39.970434
"239771"	870.180426	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+ACN+H"	42.033826
"1216493"	456.107126	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+ACN+H"	42.033826
"1199644"	228.557201	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+ACN+2H"	43.041102
"191421"	873.11776	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+2Na-H"	44.97116
"638270"	1287.19106	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+2Na-H"	44.97116
"1135216"	459.04446	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2Na-H"	44.97116
"185438"	437.062518	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+2Na"	45.978436
"624633"	644.099168	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+2Na"	45.978436
"1125953"	230.025868	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2Na"	45.978436
"1404015"	153.686337333333	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H+2Na"	46.985712
"1440508"	461.086046	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H+HCOOH"	47.012746
"230201"	442.09554	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+3H2O+2H"	56.04448
"1517170"	475.13809	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+IsoProp+H"	61.06479
"414669"	445.049488	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+Na+K"	61.952376
"771653"	652.086138	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+Na+K"	61.952376
"1667982"	238.012838	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Na+K"	61.952376
"252677"	892.162368	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+ACN+Na"	64.015768
"1226230"	478.089068	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+ACN+Na"	64.015768
"1713417"	478.112593	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+NH4+HCOOH"	64.039293
"1180724"	161.013651333333	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+3Na"	68.967654
"1650978"	483.067988	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Na+HCOOH"	68.994688
"157472"	905.06564	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+2K-H"	76.91904
"602876"	1319.13894	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+2K-H"	76.91904
"1097232"	490.99234	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2K-H"	76.91904
"149673"	453.036458	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"2M+2K"	77.926316
"587045"	660.073108	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"3M+2K"	77.926316
"1070583"	245.999808	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2K"	77.926316
"1102578"	493.006892	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2K+H"	78.933592
"1343337"	493.094507	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+DMSO+H"	79.021207
"1014054"	497.133676	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2ACN+H"	83.060376
"1536558"	498.127308	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+IsoProp+Na+H"	84.054008
"1005081"	249.070476	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+2ACN+2H"	84.067652
"1602257"	499.041928	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+K+HCOOH"	84.968628
"1424265"	529.073438	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+H+CF3COOH"	115.000138
"1162212"	269.583751	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+3ACN+2H"	125.094202
"1711762"	546.099985	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+NH4+CF3COOH"	132.026685
"1646317"	551.05538	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+Na+CF3COOH"	136.98208
"1577594"	567.02932	"C04712"	"(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate"	"C16H18N2O9S"	"414.0733"	"M+K+CF3COOH"	152.95602
"813428"	415.1257	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M"	0
"982587"	396.10731	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-H2O-H"	-19.01839
"63067"	275.743190666667	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M-3H"	-3.021828
"503828"	414.118424	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M-3H"	-3.021828
"883816"	137.367957333333	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-3H"	-3.021828
"5670"	414.118424	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M-2H"	-2.014552
"443042"	621.681274	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M-2H"	-2.014552
"818292"	206.555574	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-2H"	-2.014552
"79617"	829.244124	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M-H"	-1.007276
"520029"	1244.369824	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M-H"	-1.007276
"895759"	414.118424	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-H"	-1.007276
"47547"	846.270671	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M-2H+NH4"	16.019271
"499073"	1261.396371	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M-2H+NH4"	16.019271
"873229"	431.144971	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-2H+NH4"	16.019271
"37849"	851.226066	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M-2H+Na"	20.974666
"480326"	1266.351766	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M-2H+Na"	20.974666
"851565"	436.100366	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-2H+Na"	20.974666
"1625841"	436.100366	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Na-2H"	20.974666
"99090"	432.106763	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M-H+Cl"	33.962126
"545216"	639.669613	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M-H+Cl"	33.962126
"935449"	224.543913	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-H+Cl"	33.962126
"278388"	865.220802	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+Cl"	34.969402
"668621"	1280.346502	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+Cl"	34.969402
"1282118"	450.095102	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Cl"	34.969402
"29779"	867.200006	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M-2H+K"	36.948606
"469703"	1282.325706	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M-2H+K"	36.948606
"847870"	452.074306	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-2H+K"	36.948606
"1567713"	452.074306	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+K-2H"	36.948606
"956688"	460.123894	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-H+HCOOH"	44.998194
"376363"	875.249601	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+HCOOH-H"	44.998201
"356599"	889.265251	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+Hac-H"	59.013851
"1499963"	474.139551	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Hac-H"	59.013851
"963131"	482.105851	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-H+NaCOOH"	66.980151
"117505"	450.095102	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+2Cl"	69.938804
"552692"	657.657952	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+2Cl"	69.938804
"1035720"	242.532252	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2Cl"	69.938804
"1256391"	494.044585	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Br"	78.918885
"1316650"	496.100572	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Cl+HCOOH"	80.974872
"1334390"	518.082529	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Cl+NaCOOH"	102.956829
"923017"	528.111286	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M-H+CF3COOH"	112.985586
"1300819"	564.087964	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Cl+CF3COOH"	148.962264
"1380437"	380.113024	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H-2H2O"	-35.012676
"1396474"	398.123	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H-H2O"	-17.0027
"292877"	831.258676	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+H"	1.007276
"688580"	1246.384376	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+H"	1.007276
"1364201"	416.132976	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H"	1.007276
"134534"	416.132976	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+2H"	2.014552
"575190"	623.695826	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+2H"	2.014552
"1045080"	208.570126	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2H"	2.014552
"210795"	277.757742666667	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+3H"	3.021828
"652545"	416.132976	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+3H"	3.021828
"1168114"	139.382509333333	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+3H"	3.021828
"433938"	848.285223	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+NH4"	18.033823
"797860"	1263.410923	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+NH4"	18.033823
"1692005"	433.159523	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+NH4"	18.033823
"336273"	424.6462495	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+H+NH4"	19.041099
"727604"	632.2090995	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+H+NH4"	19.041099
"1479964"	217.0833995	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H+NH4"	19.041099
"395363"	853.240618	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+Na"	22.989218
"757816"	1268.366318	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+Na"	22.989218
"1606279"	438.114918	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Na"	22.989218
"323608"	427.123947	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+H+Na"	23.996494
"716030"	634.686797	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+H+Na"	23.996494
"1468755"	219.561097	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H+Na"	23.996494
"1056537"	146.709823333333	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2H+Na"	25.00377
"1258943"	448.159186	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+CH3OH+H"	33.033486
"383351"	869.214558	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+K"	38.963158
"747626"	1284.340258	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+K"	38.963158
"1549679"	454.088858	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+K"	38.963158
"307947"	435.110917	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+H+K"	39.970434
"692713"	642.673767	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+H+K"	39.970434
"1446532"	227.548067	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H+K"	39.970434
"236955"	872.285226	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+ACN+H"	42.033826
"1212215"	457.159526	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+ACN+H"	42.033826
"1198295"	229.083401	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+ACN+2H"	43.041102
"193353"	875.22256	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+2Na-H"	44.97116
"631089"	1290.34826	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+2Na-H"	44.97116
"1134596"	460.09686	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2Na-H"	44.97116
"180811"	438.114918	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+2Na"	45.978436
"622557"	645.677768	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+2Na"	45.978436
"1123876"	230.552068	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2Na"	45.978436
"1401937"	154.037137333333	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H+2Na"	46.985712
"1432960"	462.138446	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H+HCOOH"	47.012746
"224843"	443.14794	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+3H2O+2H"	56.04448
"1511447"	476.19049	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+IsoProp+H"	61.06479
"409068"	446.101888	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+Na+K"	61.952376
"770664"	653.664738	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+Na+K"	61.952376
"1666629"	238.539038	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Na+K"	61.952376
"253513"	894.267168	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+ACN+Na"	64.015768
"1226015"	479.141468	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+ACN+Na"	64.015768
"1713122"	479.164993	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+NH4+HCOOH"	64.039293
"1180829"	161.364451333333	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+3Na"	68.967654
"1650721"	484.120388	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Na+HCOOH"	68.994688
"158316"	907.17044	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+2K-H"	76.91904
"602985"	1322.29614	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+2K-H"	76.91904
"1097342"	492.04474	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2K-H"	76.91904
"149782"	454.088858	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"2M+2K"	77.926316
"588248"	661.651708	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"3M+2K"	77.926316
"1070572"	246.526008	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2K"	77.926316
"1104875"	494.059292	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2K+H"	78.933592
"1342353"	494.146907	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+DMSO+H"	79.021207
"1016350"	498.186076	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2ACN+H"	83.060376
"1536668"	499.179708	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+IsoProp+Na+H"	84.054008
"1005192"	249.596676	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+2ACN+2H"	84.067652
"1602488"	500.094328	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+K+HCOOH"	84.968628
"1425468"	530.125838	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+H+CF3COOH"	115.000138
"1161229"	270.109951	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+3ACN+2H"	125.094202
"1710778"	547.152385	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+NH4+CF3COOH"	132.026685
"1646427"	552.10778	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+Na+CF3COOH"	136.98208
"1577704"	568.08172	"C04713"	"N6-(delta2-Isopentenyl)-adenosine 5-monophosphate;N6-(Dimethylallyl)adenosine 5-phosphate;Isopentenyl-AMP"	"C15H22N5O7P"	"415.1257"	"M+K+CF3COOH"	152.95602
"813540"	430.3083	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M"	0
"977232"	411.28991	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-H2O-H"	-19.01839
"65470"	285.864924	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M-3H"	-3.021828
"503938"	429.301024	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M-3H"	-3.021828
"881373"	142.428824	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-3H"	-3.021828
"4688"	429.301024	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M-2H"	-2.014552
"441328"	644.455174	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M-2H"	-2.014552
"817795"	214.146874	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-2H"	-2.014552
"80092"	859.609324	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M-H"	-1.007276
"521598"	1289.917624	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M-H"	-1.007276
"899040"	429.301024	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-H"	-1.007276
"60717"	876.635871	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M-2H+NH4"	16.019271
"499549"	1306.944171	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M-2H+NH4"	16.019271
"872246"	446.327571	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-2H+NH4"	16.019271
"42336"	881.591266	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M-2H+Na"	20.974666
"478250"	1311.899566	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M-2H+Na"	20.974666
"858607"	451.282966	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-2H+Na"	20.974666
"1630327"	451.282966	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Na-2H"	20.974666
"106496"	447.289363	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M-H+Cl"	33.962126
"544234"	662.443513	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M-H+Cl"	33.962126
"942542"	232.135213	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-H+Cl"	33.962126
"281052"	895.586002	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+Cl"	34.969402
"674936"	1325.894302	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+Cl"	34.969402
"1286971"	465.277702	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Cl"	34.969402
"28797"	897.565206	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M-2H+K"	36.948606
"470301"	1327.873506	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M-2H+K"	36.948606
"847252"	467.256906	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-2H+K"	36.948606
"1571290"	467.256906	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+K-2H"	36.948606
"957528"	475.306494	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-H+HCOOH"	44.998194
"373920"	905.614801	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+HCOOH-H"	44.998201
"351241"	919.630451	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+Hac-H"	59.013851
"1502262"	489.322151	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Hac-H"	59.013851
"962147"	497.288451	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-H+NaCOOH"	66.980151
"113604"	465.277702	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+2Cl"	69.938804
"565663"	680.431852	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+2Cl"	69.938804
"1034007"	250.123552	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2Cl"	69.938804
"1256506"	509.227185	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Br"	78.918885
"1318221"	511.283172	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Cl+HCOOH"	80.974872
"1333163"	533.265129	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Cl+NaCOOH"	102.956829
"923126"	543.293886	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M-H+CF3COOH"	112.985586
"1300564"	579.270564	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Cl+CF3COOH"	148.962264
"1380546"	395.295624	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H-2H2O"	-35.012676
"1397313"	413.3056	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H-H2O"	-17.0027
"292988"	861.623876	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+H"	1.007276
"688325"	1291.932176	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+H"	1.007276
"1360662"	431.315576	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H"	1.007276
"133551"	431.315576	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+2H"	2.014552
"575298"	646.469726	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+2H"	2.014552
"1041911"	216.161426	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2H"	2.014552
"209448"	287.879476	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+3H"	3.021828
"649374"	431.315576	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+3H"	3.021828
"1167861"	144.443376	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+3H"	3.021828
"436247"	878.650423	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+NH4"	18.033823
"796149"	1308.958723	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+NH4"	18.033823
"1692115"	448.342123	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+NH4"	18.033823
"335290"	439.8288495	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+H+NH4"	19.041099
"726982"	654.9829995	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+H+NH4"	19.041099
"1480804"	224.6746995	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H+NH4"	19.041099
"395837"	883.605818	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+Na"	22.989218
"756833"	1313.914118	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+Na"	22.989218
"1606025"	453.297518	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Na"	22.989218
"319343"	442.306547	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+H+Na"	23.996494
"712858"	657.460697	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+H+Na"	23.996494
"1462554"	227.152397	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H+Na"	23.996494
"1055553"	151.77069	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2H+Na"	25.00377
"1260875"	463.341786	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+CH3OH+H"	33.033486
"378111"	899.579758	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+K"	38.963158
"738585"	1329.888058	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+K"	38.963158
"1542132"	469.271458	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+K"	38.963158
"300402"	450.293517	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+H+K"	39.970434
"696106"	665.447667	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+H+K"	39.970434
"1447738"	235.139367	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H+K"	39.970434
"237068"	902.650426	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+ACN+H"	42.033826
"1212699"	472.342126	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+ACN+H"	42.033826
"1196211"	236.674701	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+ACN+2H"	43.041102
"190181"	905.58776	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+2Na-H"	44.97116
"633390"	1335.89606	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+2Na-H"	44.97116
"1136168"	475.27946	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2Na-H"	44.97116
"179826"	453.297518	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+2Na"	45.978436
"621572"	668.451668	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+2Na"	45.978436
"1118524"	238.143368	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2Na"	45.978436
"1398803"	159.098004	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H+2Na"	46.985712
"1434165"	477.321046	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H+HCOOH"	47.012746
"222036"	458.33054	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+3H2O+2H"	56.04448
"1509368"	491.37309	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+IsoProp+H"	61.06479
"409178"	461.284488	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+Na+K"	61.952376
"771144"	676.438638	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+Na+K"	61.952376
"1667107"	246.130338	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Na+K"	61.952376
"253623"	924.632368	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+ACN+Na"	64.015768
"1226088"	494.324068	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+ACN+Na"	64.015768
"1714245"	494.347593	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+NH4+HCOOH"	64.039293
"1178871"	166.425318	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+3Na"	68.967654
"1651559"	499.302988	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Na+HCOOH"	68.994688
"167911"	937.53564	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+2K-H"	76.91904
"611484"	1367.84394	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+2K-H"	76.91904
"1094173"	507.22734	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2K-H"	76.91904
"148800"	469.271458	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"2M+2K"	77.926316
"585078"	684.425608	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"3M+2K"	77.926316
"1072869"	254.117308	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2K"	77.926316
"1106078"	509.241892	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2K+H"	78.933592
"1342465"	509.329507	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+DMSO+H"	79.021207
"1021244"	513.368676	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2ACN+H"	83.060376
"1539710"	514.362308	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+IsoProp+Na+H"	84.054008
"1004938"	257.187976	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+2ACN+2H"	84.067652
"1602110"	515.276928	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+K+HCOOH"	84.968628
"1427407"	545.308438	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+H+CF3COOH"	115.000138
"1159152"	277.701251	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+3ACN+2H"	125.094202
"1708700"	562.334985	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+NH4+CF3COOH"	132.026685
"1646540"	567.29038	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+Na+CF3COOH"	136.98208
"1572348"	583.26432	"C04715"	"Nuatigenin;(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol"	"C27H42O4"	"430.3083"	"M+K+CF3COOH"	152.95602
"813650"	312.2301	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M"	0
"976613"	293.21171	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"62923"	207.146124	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"503803"	311.222824	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"880877"	103.069424	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"545"	311.222824	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"440832"	467.337874	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"818875"	155.107774	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"80323"	623.452924	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"520491"	935.683024	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"899515"	311.222824	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"58273"	640.479471	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"501481"	952.709571	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"874908"	328.249371	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"46092"	645.434866	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"481640"	957.664966	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"853248"	333.204766	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1628250"	333.204766	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"105878"	329.211163	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"543249"	485.326213	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"941149"	173.096113	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"278610"	659.429602	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"674678"	971.659702	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1285257"	347.199502	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"27816"	661.408806	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"467738"	973.638906	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"845540"	349.178706	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1570489"	349.178706	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"956545"	357.228294	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"374030"	669.458401	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"353537"	683.474051	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1504558"	371.243951	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"964442"	379.210251	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"114443"	347.199502	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"564956"	503.314552	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1034845"	191.084452	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1256249"	391.148985	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1319791"	393.204972	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1331085"	415.186929	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"923601"	425.215686	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1303228"	461.192364	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1378833"	277.217424	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1395599"	295.2274	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"293098"	625.467476	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"688434"	937.697576	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1361865"	313.237376	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"135847"	313.237376	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"573222"	469.352426	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1043114"	157.122326	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"209193"	209.160676	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"648391"	313.237376	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1169794"	105.083976	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"434168"	642.494023	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"799177"	954.724123	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1694412"	330.263923	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"333577"	321.7506495	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"725270"	477.8656995	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1479821"	165.6355995	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"394855"	647.449418	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"758400"	959.679518	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1604310"	335.219318	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"317265"	324.228347	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"710052"	480.343397	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1464609"	168.113297	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1057850"	112.41129	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1263901"	345.263586	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"378221"	663.423358	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"739454"	975.653458	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1543699"	351.193258	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"301606"	332.215317	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"695123"	488.330367	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1448942"	176.100267	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"237543"	666.494026	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1212809"	354.263926	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1196688"	177.635601	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"190655"	669.43136	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"634593"	981.66146	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1136278"	357.20126	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"179936"	335.219318	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"621682"	491.334368	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1121914"	179.104268	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1399970"	119.738604	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1437556"	359.242846	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"221782"	340.25234	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1509599"	373.29489	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"411720"	343.206288	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"770361"	499.321338	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1666286"	187.091238	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"253739"	688.475968	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1226077"	376.245868	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1712852"	376.269393	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1178612"	127.065918	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1650084"	381.224788	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"169114"	701.37924	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"612449"	1013.60934	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1094283"	389.14914	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"151097"	351.193258	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"586281"	507.308308	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1075166"	195.078208	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1108375"	391.163692	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1343668"	391.251307	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1021281"	395.290476	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1539842"	396.284108	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"1004075"	198.148876	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1601131"	397.198728	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1426787"	427.230238	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1159261"	218.662151	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1705530"	444.256785	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1648836"	449.21218	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1575738"	465.18612	"C04717"	"(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoic acid;(9Z11E)-(13S)-13-Hydroperoxyoctadeca-911-dienoate;13(S)-HPODE;13S-Hydroperoxy-9Z11E-octadecadienoic acid"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"816863"	184.1099	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M"	0
"978546"	165.09151	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"63869"	121.732657333333	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"506346"	183.102624	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"886333"	60.3626906666667	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"4907"	183.102624	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"441188"	275.157574	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"818622"	91.047674	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"82260"	367.212524	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"520727"	551.322424	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"899625"	183.102624	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"52916"	384.239071	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"493569"	568.348971	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"869548"	200.129171	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"41825"	389.194466	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"475917"	573.304366	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"856637"	205.084566	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1628360"	205.084566	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"104889"	201.090963	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"545545"	293.145913	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"939802"	109.036013	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"276531"	403.189202	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"674182"	587.299102	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1286095"	219.079302	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"30845"	405.168406	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"469672"	589.278306	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"846745"	221.058506	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1570843"	221.058506	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"956292"	229.108094	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"376087"	413.218001	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"358022"	427.233651	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1504668"	243.123751	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"965648"	251.090051	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"115646"	219.079302	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"563970"	311.134252	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1033496"	127.024352	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1255995"	263.028785	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1317710"	265.084772	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1330102"	287.066729	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"921159"	297.095486	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1302971"	333.072164	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1380401"	149.097224	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1394981"	167.1072	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"293208"	369.227076	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"687814"	553.336976	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1359788"	185.117176	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"138874"	185.117176	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"574425"	277.172126	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1041402"	93.062226	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"210032"	123.747209333333	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"649594"	185.117176	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1170632"	62.3772426666667	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"430998"	386.253623	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"798557"	570.363523	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1689419"	202.143723	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"332594"	193.6304495	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"727203"	285.6853995	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1479931"	101.5754995	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"399337"	391.209018	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"759241"	575.318918	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1609524"	207.099118	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"318834"	196.108147	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"708948"	288.163097	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1466905"	104.053197	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1056868"	69.7045566666667	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1262918"	217.143386	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"380763"	407.182958	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"741028"	591.292858	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1541987"	223.073058	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"301349"	204.095117	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"694502"	296.150067	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1448323"	112.040167	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"236926"	410.253626	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1213283"	226.143726	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1196436"	113.575501	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"189672"	413.19096	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"635432"	597.30086	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1134559"	229.08106	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"181140"	207.099118	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"623980"	299.154068	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1122024"	115.044168	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1400201"	77.0318706666667	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1437667"	231.122646	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"221892"	212.13214	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1512140"	245.17469	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"415109"	215.086088	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"770756"	307.141038	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1668787"	123.031138	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"253484"	432.235568	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1226310"	248.125668	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1714348"	248.149193	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1180428"	84.3591846666667	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1650163"	253.104588	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"167037"	445.13884	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"611705"	629.24874	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1095486"	261.02894	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"154487"	223.073058	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"587486"	315.128008	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1079652"	131.018108	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1108487"	263.043492	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1350955"	263.131107	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1020947"	267.170276	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1539681"	268.163908	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"1002358"	134.088776	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1600145"	269.078528	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1425801"	299.110038	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1162409"	154.602051	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1705640"	316.136585	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1647853"	321.09198	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1574755"	337.06592	"C04718"	"166-Trimethyl-27-dioxabicyclo322nonan-3-one"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"813870"	402.0951	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M"	0
"976469"	383.07671	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-H2O-H"	-19.01839
"64706"	267.056124	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M-3H"	-3.021828
"504633"	401.087824	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M-3H"	-3.021828
"882797"	133.024424	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-3H"	-3.021828
"2831"	401.087824	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M-2H"	-2.014552
"441663"	602.135374	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M-2H"	-2.014552
"819829"	200.040274	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-2H"	-2.014552
"81274"	803.182924	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M-H"	-1.007276
"520839"	1205.278024	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M-H"	-1.007276
"897546"	401.087824	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-H"	-1.007276
"54119"	820.209471	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M-2H+NH4"	16.019271
"495865"	1222.304571	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M-2H+NH4"	16.019271
"870387"	418.114371	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-2H+NH4"	16.019271
"41570"	825.164866	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M-2H+Na"	20.974666
"482224"	1227.259966	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M-2H+Na"	20.974666
"856747"	423.069766	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-2H+Na"	20.974666
"1629563"	423.069766	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Na-2H"	20.974666
"109862"	419.076163	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M-H+Cl"	33.962126
"545655"	620.123713	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M-H+Cl"	33.962126
"941004"	218.028613	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-H+Cl"	33.962126
"282452"	839.159602	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+Cl"	34.969402
"675031"	1241.254702	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+Cl"	34.969402
"1287188"	437.064502	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Cl"	34.969402
"30589"	841.138806	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M-2H+K"	36.948606
"468326"	1243.233906	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M-2H+K"	36.948606
"846857"	439.043706	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-2H+K"	36.948606
"1568155"	439.043706	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+K-2H"	36.948606
"954944"	447.093294	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-H+HCOOH"	44.998194
"372064"	849.188401	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+HCOOH-H"	44.998201
"357043"	863.204051	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+Hac-H"	59.013851
"1506240"	461.108951	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Hac-H"	59.013851
"973055"	469.075251	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-H+NaCOOH"	66.980151
"123421"	437.064502	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+2Cl"	69.938804
"565050"	638.112052	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+2Cl"	69.938804
"1036527"	236.016952	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2Cl"	69.938804
"1256103"	481.013985	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Br"	78.918885
"1315633"	483.069972	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Cl+HCOOH"	80.974872
"1328025"	505.051929	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Cl+NaCOOH"	102.956829
"925279"	515.080686	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M-H+CF3COOH"	112.985586
"1301987"	551.057364	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Cl+CF3COOH"	148.962264
"1376138"	367.082424	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H-2H2O"	-35.012676
"1393269"	385.0924	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H-H2O"	-17.0027
"286758"	805.197476	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+H"	1.007276
"679178"	1207.292576	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+H"	1.007276
"1357714"	403.102376	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H"	1.007276
"131695"	403.102376	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+2H"	2.014552
"571256"	604.149926	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+2H"	2.014552
"1041512"	202.054826	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2H"	2.014552
"209052"	269.070676	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+3H"	3.021828
"652988"	403.102376	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+3H"	3.021828
"1174392"	135.038976	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+3H"	3.021828
"430013"	822.224023	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+NH4"	18.033823
"796480"	1224.319123	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+NH4"	18.033823
"1686248"	420.128923	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+NH4"	18.033823
"336716"	411.6156495	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+H+NH4"	19.041099
"726586"	612.6631995	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+H+NH4"	19.041099
"1478220"	210.5680995	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H+NH4"	19.041099
"394348"	827.179418	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+Na"	22.989218
"758256"	1229.274518	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+Na"	22.989218
"1603196"	425.084318	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Na"	22.989218
"316029"	414.093347	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+H+Na"	23.996494
"713191"	615.140897	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+H+Na"	23.996494
"1465922"	213.045797	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H+Na"	23.996494
"1054792"	142.36629	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2H+Na"	25.00377
"1265217"	435.128586	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+CH3OH+H"	33.033486
"381239"	843.153358	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+K"	38.963158
"745881"	1245.248458	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+K"	38.963158
"1543195"	441.058258	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+K"	38.963158
"303288"	422.080317	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+H+K"	39.970434
"692427"	623.127867	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+H+K"	39.970434
"1447705"	221.032767	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H+K"	39.970434
"242142"	846.224026	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+ACN+H"	42.033826
"1214486"	444.128926	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+ACN+H"	42.033826
"1197641"	222.568101	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+ACN+2H"	43.041102
"192699"	849.16136	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+2Na-H"	44.97116
"632258"	1251.25646	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+2Na-H"	44.97116
"1133574"	447.06626	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2Na-H"	44.97116
"183437"	425.084318	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+2Na"	45.978436
"625184"	626.131868	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+2Na"	45.978436
"1118854"	224.036768	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2Na"	45.978436
"1402376"	149.693604	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H+2Na"	46.985712
"1441421"	449.107846	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H+HCOOH"	47.012746
"225282"	430.11734	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+3H2O+2H"	56.04448
"1510792"	463.15989	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+IsoProp+H"	61.06479
"415219"	433.071288	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+Na+K"	61.952376
"772932"	634.118838	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+Na+K"	61.952376
"1667804"	232.023738	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Na+K"	61.952376
"252500"	868.205968	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+ACN+Na"	64.015768
"1228124"	466.110868	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+ACN+Na"	64.015768
"1714575"	466.134393	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+NH4+HCOOH"	64.039293
"1180540"	157.020918	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+3Na"	68.967654
"1651165"	471.089788	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Na+HCOOH"	68.994688
"168240"	881.10924	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+2K-H"	76.91904
"611694"	1283.20434	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+2K-H"	76.91904
"1094502"	479.01414	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2K-H"	76.91904
"152410"	441.058258	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"2M+2K"	77.926316
"587596"	642.105808	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"3M+2K"	77.926316
"1080856"	240.010708	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2K"	77.926316
"1111877"	481.028692	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2K+H"	78.933592
"1350700"	481.116307	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+DMSO+H"	79.021207
"1020449"	485.155476	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2ACN+H"	83.060376
"1538694"	486.149108	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+IsoProp+Na+H"	84.054008
"1002468"	243.081376	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+2ACN+2H"	84.067652
"1599158"	487.063728	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+K+HCOOH"	84.968628
"1425909"	517.095238	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+H+CF3COOH"	115.000138
"1157291"	263.594651	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+3ACN+2H"	125.094202
"1705748"	534.121785	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+NH4+CF3COOH"	132.026685
"1647963"	539.07718	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+Na+CF3COOH"	136.98208
"1575958"	555.05112	"C04719"	"1-Hydroxy-2-(beta-D-glucosyloxy)-910-anthraquinone"	"C20H18O9"	"402.0951"	"M+K+CF3COOH"	152.95602
"813616"	211.0481	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M"	0
"977672"	192.02971	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-H2O-H"	-19.01839
"63111"	139.691457333333	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M-3H"	-3.021828
"503159"	210.040824	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M-3H"	-3.021828
"881450"	69.3420906666667	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-3H"	-3.021828
"2941"	210.040824	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M-2H"	-2.014552
"441773"	315.564874	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M-2H"	-2.014552
"818846"	104.516774	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-2H"	-2.014552
"79321"	421.088924	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M-H"	-1.007276
"519855"	632.137024	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M-H"	-1.007276
"896564"	210.040824	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-H"	-1.007276
"54229"	438.115471	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M-2H+NH4"	16.019271
"495975"	649.163571	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M-2H+NH4"	16.019271
"870497"	227.067371	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-2H+NH4"	16.019271
"38398"	443.070866	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M-2H+Na"	20.974666
"477957"	654.118966	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M-2H+Na"	20.974666
"856856"	232.022766	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-2H+Na"	20.974666
"1630765"	232.022766	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Na-2H"	20.974666
"107294"	228.029163	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M-H+Cl"	33.962126
"542483"	333.553213	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M-H+Cl"	33.962126
"937092"	122.505113	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-H+Cl"	33.962126
"278941"	457.065602	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+Cl"	34.969402
"674644"	668.113702	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+Cl"	34.969402
"1288271"	246.017502	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Cl"	34.969402
"31065"	459.044806	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M-2H+K"	36.948606
"468801"	670.092906	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M-2H+K"	36.948606
"846967"	247.996706	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-2H+K"	36.948606
"1569360"	247.996706	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+K-2H"	36.948606
"957162"	256.046294	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-H+HCOOH"	44.998194
"372174"	467.094401	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+HCOOH-H"	44.998201
"358612"	481.110051	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+Hac-H"	59.013851
"1506715"	270.061951	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Hac-H"	59.013851
"972194"	278.028251	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-H+NaCOOH"	66.980151
"124502"	246.017502	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+2Cl"	69.938804
"564553"	351.541552	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+2Cl"	69.938804
"1035540"	140.493452	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2Cl"	69.938804
"1256212"	289.966985	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Br"	78.918885
"1315743"	292.022972	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Cl+HCOOH"	80.974872
"1330322"	314.004929	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Cl+NaCOOH"	102.956829
"925025"	324.033686	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M-H+CF3COOH"	112.985586
"1302097"	360.010364	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Cl+CF3COOH"	148.962264
"1377341"	176.035424	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H-2H2O"	-35.012676
"1394838"	194.0454	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H-H2O"	-17.0027
"289419"	423.103476	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+H"	1.007276
"683662"	634.151576	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+H"	1.007276
"1357822"	212.055376	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H"	1.007276
"132898"	212.055376	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+2H"	2.014552
"571366"	317.579426	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+2H"	2.014552
"1040164"	106.531326	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2H"	2.014552
"211347"	141.706009333333	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+3H"	3.021828
"655285"	212.055376	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+3H"	3.021828
"1169036"	71.3566426666667	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+3H"	3.021828
"431214"	440.130023	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+NH4"	18.033823
"788933"	651.178123	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+NH4"	18.033823
"1685262"	229.081923	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+NH4"	18.033823
"335733"	220.5686495	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+H+NH4"	19.041099
"727423"	326.0926995	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+H+NH4"	19.041099
"1481244"	115.0445995	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H+NH4"	19.041099
"395551"	445.085418	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+Na"	22.989218
"754721"	656.133518	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+Na"	22.989218
"1603301"	234.037318	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Na"	22.989218
"317598"	223.046347	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+H+Na"	23.996494
"712207"	328.570397	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+H+Na"	23.996494
"1463846"	117.522297	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H+Na"	23.996494
"1054902"	78.6839566666667	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2H+Na"	25.00377
"1262047"	244.081586	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+CH3OH+H"	33.033486
"380985"	461.059358	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+K"	38.963158
"747084"	672.107458	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+K"	38.963158
"1543671"	250.011258	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+K"	38.963158
"303762"	231.033317	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+H+K"	39.970434
"695090"	336.557367	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+H+K"	39.970434
"1450004"	125.509267	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H+K"	39.970434
"238973"	464.130026	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+ACN+H"	42.033826
"1213140"	253.081926	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+ACN+H"	42.033826
"1198115"	127.044601	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+ACN+2H"	43.041102
"191351"	467.06736	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+2Na-H"	44.97116
"631639"	678.11546	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+2Na-H"	44.97116
"1133684"	256.01926	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2Na-H"	44.97116
"183547"	234.037318	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+2Na"	45.978436
"624201"	339.561368	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+2Na"	45.978436
"1118964"	128.513268	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2Na"	45.978436
"1404672"	86.0112706666667	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H+2Na"	46.985712
"1441165"	258.060846	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H+HCOOH"	47.012746
"223569"	239.07034	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+3H2O+2H"	56.04448
"1515641"	272.11289	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+IsoProp+H"	61.06479
"412411"	242.024288	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+Na+K"	61.952376
"775228"	347.548338	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+Na+K"	61.952376
"1667913"	136.500238	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Na+K"	61.952376
"252246"	486.111968	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+ACN+Na"	64.015768
"1227138"	275.063868	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+ACN+Na"	64.015768
"1713957"	275.087393	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+NH4+HCOOH"	64.039293
"1179800"	93.3385846666667	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+3Na"	68.967654
"1650664"	280.042788	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Na+HCOOH"	68.994688
"171998"	499.01524	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+2K-H"	76.91904
"611439"	710.06334	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+2K-H"	76.91904
"1095705"	287.96714	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2K-H"	76.91904
"152519"	250.011258	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"2M+2K"	77.926316
"592079"	355.535308	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"3M+2K"	77.926316
"1080966"	144.487208	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2K"	77.926316
"1111987"	289.981692	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2K+H"	78.933592
"1349347"	290.069307	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+DMSO+H"	79.021207
"1021042"	294.108476	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2ACN+H"	83.060376
"1539168"	295.102108	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+IsoProp+Na+H"	84.054008
"1004888"	147.557876	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+2ACN+2H"	84.067652
"1600361"	296.016728	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+K+HCOOH"	84.968628
"1427112"	326.048238	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+H+CF3COOH"	115.000138
"1159587"	168.071151	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+3ACN+2H"	125.094202
"1705858"	343.074785	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+NH4+CF3COOH"	132.026685
"1648802"	348.03018	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+Na+CF3COOH"	136.98208
"1576068"	364.00412	"C04720"	"DIMBOA;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one"	"C9H9NO5"	"211.0481"	"M+K+CF3COOH"	152.95602
"814090"	450.3345	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M"	0
"976689"	431.31611	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-H2O-H"	-19.01839
"62941"	299.215724	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M-3H"	-3.021828
"502974"	449.327224	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M-3H"	-3.021828
"882290"	149.104224	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-3H"	-3.021828
"4145"	449.327224	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M-2H"	-2.014552
"440790"	674.494474	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M-2H"	-2.014552
"818592"	224.159974	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-2H"	-2.014552
"80765"	899.661724	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M-H"	-1.007276
"519965"	1349.996224	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M-H"	-1.007276
"896792"	449.327224	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-H"	-1.007276
"52153"	916.688271	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M-2H+NH4"	16.019271
"492806"	1367.022771	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M-2H+NH4"	16.019271
"868421"	466.353771	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-2H+NH4"	16.019271
"36322"	921.643666	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M-2H+Na"	20.974666
"475881"	1371.978166	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M-2H+Na"	20.974666
"856966"	471.309166	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-2H+Na"	20.974666
"1630875"	471.309166	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Na-2H"	20.974666
"106311"	467.315563	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M-H+Cl"	33.962126
"539313"	692.482813	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M-H+Cl"	33.962126
"937202"	242.148313	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-H+Cl"	33.962126
"281603"	935.638402	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+Cl"	34.969402
"673293"	1385.972902	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+Cl"	34.969402
"1285695"	485.303902	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Cl"	34.969402
"30972"	937.617606	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M-2H+K"	36.948606
"471376"	1387.952106	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M-2H+K"	36.948606
"848420"	487.283106	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-2H+K"	36.948606
"1570565"	487.283106	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+K-2H"	36.948606
"956988"	495.332694	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-H+HCOOH"	44.998194
"371191"	945.667201	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+HCOOH-H"	44.998201
"357630"	959.682851	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+Hac-H"	59.013851
"1506099"	509.348351	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Hac-H"	59.013851
"972908"	517.314651	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-H+NaCOOH"	66.980151
"125097"	485.303902	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+2Cl"	69.938804
"564546"	710.471152	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+2Cl"	69.938804
"1036018"	260.136652	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2Cl"	69.938804
"1253405"	529.253385	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Br"	78.918885
"1314030"	531.309372	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Cl+HCOOH"	80.974872
"1330432"	553.291329	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Cl+NaCOOH"	102.956829
"926555"	563.320086	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M-H+CF3COOH"	112.985586
"1302936"	599.296764	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Cl+CF3COOH"	148.962264
"1379273"	415.321824	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H-2H2O"	-35.012676
"1395312"	433.3318	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H-H2O"	-17.0027
"289165"	901.676276	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+H"	1.007276
"683773"	1352.010776	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+H"	1.007276
"1356839"	451.341776	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H"	1.007276
"134102"	451.341776	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+2H"	2.014552
"571476"	676.509026	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+2H"	2.014552
"1038816"	226.174526	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2H"	2.014552
"210364"	301.230276	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+3H"	3.021828
"656488"	451.341776	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+3H"	3.021828
"1169146"	151.118776	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+3H"	3.021828
"430231"	918.702823	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+NH4"	18.033823
"790137"	1369.037323	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+NH4"	18.033823
"1685372"	468.368323	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+NH4"	18.033823
"335843"	459.8550495	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+H+NH4"	19.041099
"727533"	685.0222995	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+H+NH4"	19.041099
"1480261"	234.6877995	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H+NH4"	19.041099
"393960"	923.658218	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+Na"	22.989218
"754225"	1373.992718	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+Na"	22.989218
"1603659"	473.323718	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Na"	22.989218
"316736"	462.332747	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+H+Na"	23.996494
"710131"	687.499997	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+H+Na"	23.996494
"1467236"	237.165497	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H+Na"	23.996494
"1056106"	158.44609	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2H+Na"	25.00377
"1263250"	483.367986	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+CH3OH+H"	33.033486
"381824"	939.632158	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+K"	38.963158
"747194"	1389.966658	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+K"	38.963158
"1543780"	489.297658	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+K"	38.963158
"300588"	470.319717	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+H+K"	39.970434
"693009"	695.486967	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+H+K"	39.970434
"1449021"	245.152467	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H+K"	39.970434
"237987"	942.702826	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+ACN+H"	42.033826
"1213612"	492.368326	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+ACN+H"	42.033826
"1197132"	246.687801	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+ACN+2H"	43.041102
"191097"	945.64016	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+2Na-H"	44.97116
"629927"	1395.97466	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+2Na-H"	44.97116
"1132338"	495.30566	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2Na-H"	44.97116
"175031"	473.323718	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+2Na"	45.978436
"614470"	698.490968	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+2Na"	45.978436
"1117980"	248.156468	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2Na"	45.978436
"1399678"	165.773404	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H+2Na"	46.985712
"1437995"	497.347246	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H+HCOOH"	47.012746
"224772"	478.35674	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+3H2O+2H"	56.04448
"1512471"	511.39929	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+IsoProp+H"	61.06479
"411063"	481.310688	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+Na+K"	61.952376
"773152"	706.477938	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+Na+K"	61.952376
"1666930"	256.143438	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Na+K"	61.952376
"251748"	964.684768	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+ACN+Na"	64.015768
"1225629"	514.350268	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+ACN+Na"	64.015768
"1714431"	514.373793	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+NH4+HCOOH"	64.039293
"1179664"	173.100718	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+3Na"	68.967654
"1650410"	519.329188	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Na+HCOOH"	68.994688
"171620"	977.58804	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+2K-H"	76.91904
"612034"	1427.92254	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+2K-H"	76.91904
"1097638"	527.25354	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2K-H"	76.91904
"155790"	489.297658	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"2M+2K"	77.926316
"593284"	714.464908	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"3M+2K"	77.926316
"1077795"	264.130408	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2K"	77.926316
"1111003"	529.268092	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2K+H"	78.933592
"1347391"	529.355707	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+DMSO+H"	79.021207
"1021072"	533.394876	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2ACN+H"	83.060376
"1539157"	534.388508	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+IsoProp+Na+H"	84.054008
"1002688"	267.201076	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+2ACN+2H"	84.067652
"1599378"	535.303128	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+K+HCOOH"	84.968628
"1426129"	565.334638	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+H+CF3COOH"	115.000138
"1156418"	287.714351	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+3ACN+2H"	125.094202
"1702687"	582.361185	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+NH4+CF3COOH"	132.026685
"1648183"	587.31658	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+Na+CF3COOH"	136.98208
"1573991"	603.29052	"C04722"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oate;3alpha7alpha12alpha-Trihydroxy-5beta-cholestanate"	"C27H46O5"	"450.3345"	"M+K+CF3COOH"	152.95602
"810920"	1396.7954	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M"	0
"976799"	1377.77701	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-H2O-H"	-19.01839
"63291"	930.189657333333	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M-3H"	-3.021828
"502957"	1395.788124	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M-3H"	-3.021828
"880941"	464.591190666667	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-3H"	-3.021828
"278"	1395.788124	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M-2H"	-2.014552
"440211"	2094.185824	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M-2H"	-2.014552
"819068"	697.390424	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-2H"	-2.014552
"79421"	2792.583524	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M-H"	-1.007276
"519222"	4189.378924	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M-H"	-1.007276
"897142"	1395.788124	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-H"	-1.007276
"52261"	2809.610071	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M-2H+NH4"	16.019271
"490729"	4206.405471	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M-2H+NH4"	16.019271
"868531"	1412.814671	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-2H+NH4"	16.019271
"36432"	2814.565466	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M-2H+Na"	20.974666
"474531"	4211.360866	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M-2H+Na"	20.974666
"852702"	1417.770066	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-2H+Na"	20.974666
"1623330"	1417.770066	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Na-2H"	20.974666
"102047"	1413.776463	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M-H+Cl"	33.962126
"547076"	2112.174163	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M-H+Cl"	33.962126
"929658"	715.378763	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-H+Cl"	33.962126
"280245"	2828.560202	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+Cl"	34.969402
"673039"	4225.355602	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+Cl"	34.969402
"1285806"	1431.764802	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Cl"	34.969402
"31173"	2830.539406	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M-2H+K"	36.948606
"471098"	4227.334806	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M-2H+K"	36.948606
"848384"	1433.744006	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-2H+K"	36.948606
"1570311"	1433.744006	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+K-2H"	36.948606
"957100"	1441.793594	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-H+HCOOH"	44.998194
"375680"	2838.589001	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+HCOOH-H"	44.998201
"357740"	2852.604651	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+Hac-H"	59.013851
"1506938"	1455.809251	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Hac-H"	59.013851
"973387"	1463.775551	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-H+NaCOOH"	66.980151
"123751"	1431.764802	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+2Cl"	69.938804
"565022"	2130.162502	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+2Cl"	69.938804
"1036736"	733.367102	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2Cl"	69.938804
"1254975"	1475.714285	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Br"	78.918885
"1319125"	1477.770272	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Cl+HCOOH"	80.974872
"1335479"	1499.752229	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Cl+NaCOOH"	102.956829
"926910"	1509.780986	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M-H+CF3COOH"	112.985586
"1303290"	1545.757664	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Cl+CF3COOH"	148.962264
"1379747"	1361.782724	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H-2H2O"	-35.012676
"1395422"	1379.7927	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H-H2O"	-17.0027
"288182"	2794.598076	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+H"	1.007276
"684976"	4191.393476	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+H"	1.007276
"1355856"	1397.802676	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H"	1.007276
"133848"	1397.802676	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+2H"	2.014552
"571586"	2096.200376	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+2H"	2.014552
"1040384"	699.404976	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2H"	2.014552
"207559"	932.204209333333	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+3H"	3.021828
"654412"	1397.802676	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+3H"	3.021828
"1167069"	466.605742666667	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+3H"	3.021828
"427061"	2811.624623	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+NH4"	18.033823
"789153"	4208.420023	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+NH4"	18.033823
"1685483"	1414.829223	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+NH4"	18.033823
"335952"	1406.3159495	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+H+NH4"	19.041099
"724363"	2104.7136495	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+H+NH4"	19.041099
"1481465"	707.9182495	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H+NH4"	19.041099
"395405"	2816.580018	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+Na"	22.989218
"754454"	4213.375418	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+Na"	22.989218
"1602813"	1419.784618	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Na"	22.989218
"320006"	1408.793647	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+H+Na"	23.996494
"707107"	2107.191347	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+H+Na"	23.996494
"1467346"	710.395947	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H+Na"	23.996494
"1056216"	473.933056666667	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2H+Na"	25.00377
"1263361"	1429.828886	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+CH3OH+H"	33.033486
"380841"	2832.553958	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+K"	38.963158
"745118"	4229.349358	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+K"	38.963158
"1543522"	1435.758558	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+K"	38.963158
"300333"	1416.780617	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+H+K"	39.970434
"693483"	2115.178317	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+H+K"	39.970434
"1449496"	718.382917	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H+K"	39.970434
"238097"	2835.624626	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+ACN+H"	42.033826
"1214450"	1438.829226	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+ACN+H"	42.033826
"1196146"	719.918251	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+ACN+2H"	43.041102
"190111"	2838.56196	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+2Na-H"	44.97116
"629307"	4235.35736	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+2Na-H"	44.97116
"1132447"	1441.76656	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2Na-H"	44.97116
"175020"	1419.784618	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+2Na"	45.978436
"614580"	2118.182318	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+2Na"	45.978436
"1120277"	721.386918	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2Na"	45.978436
"1399426"	481.260370666667	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H+2Na"	46.985712
"1440292"	1443.808146	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H+HCOOH"	47.012746
"225611"	1424.81764	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+3H2O+2H"	56.04448
"1513674"	1457.86019	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+IsoProp+H"	61.06479
"409472"	1427.771588	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+Na+K"	61.952376
"772169"	2126.169288	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+Na+K"	61.952376
"1665947"	729.373888	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Na+K"	61.952376
"252101"	2857.606568	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+ACN+Na"	64.015768
"1225766"	1460.811168	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+ACN+Na"	64.015768
"1713325"	1460.834693	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+NH4+HCOOH"	64.039293
"1179895"	488.587684666667	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+3Na"	68.967654
"1649989"	1465.790088	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Na+HCOOH"	68.994688
"166382"	2870.50984	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+2K-H"	76.91904
"611050"	4267.30524	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+2K-H"	76.91904
"1097996"	1473.71444	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2K-H"	76.91904
"155659"	1435.758558	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"2M+2K"	77.926316
"592301"	2134.156258	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"3M+2K"	77.926316
"1077905"	737.360858	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2K"	77.926316
"1111113"	1475.728992	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2K+H"	78.933592
"1344221"	1475.816607	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+DMSO+H"	79.021207
"1020775"	1479.855776	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2ACN+H"	83.060376
"1539388"	1480.849408	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+IsoProp+Na+H"	84.054008
"1002797"	740.431526	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+2ACN+2H"	84.067652
"1599488"	1481.764028	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+K+HCOOH"	84.968628
"1424052"	1511.795538	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+H+CF3COOH"	115.000138
"1156528"	760.944801	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+3ACN+2H"	125.094202
"1702797"	1528.822085	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+NH4+CF3COOH"	132.026685
"1641731"	1533.77748	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+Na+CF3COOH"	136.98208
"1573008"	1549.75142	"C04724"	"D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid;alpha-D-Mannosyl-(1-4)-alpha-L-rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C73H122O21P2"	"1396.7954"	"M+K+CF3COOH"	152.95602
"808845"	173.972	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M"	0
"975204"	154.95361	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-H2O-H"	-19.01839
"64780"	114.974057333333	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M-3H"	-3.021828
"514557"	172.964724	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M-3H"	-3.021828
"884703"	56.9833906666667	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-3H"	-3.021828
"3276"	172.964724	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M-2H"	-2.014552
"442108"	259.950724	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M-2H"	-2.014552
"825020"	85.978724	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-2H"	-2.014552
"81731"	346.936724	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M-H"	-1.007276
"532231"	520.908724	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M-H"	-1.007276
"905656"	172.964724	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-H"	-1.007276
"59311"	363.963271	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M-2H+NH4"	16.019271
"499115"	537.935271	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M-2H+NH4"	16.019271
"875208"	189.991271	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-2H+NH4"	16.019271
"37641"	368.918666	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M-2H+Na"	20.974666
"476108"	542.890666	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M-2H+Na"	20.974666
"860110"	194.946666	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-2H+Na"	20.974666
"1625633"	194.946666	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Na-2H"	20.974666
"106905"	190.953063	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M-H+Cl"	33.962126
"549272"	277.939063	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M-H+Cl"	33.962126
"941451"	103.967063	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-H+Cl"	33.962126
"281952"	382.913402	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+Cl"	34.969402
"674375"	556.885402	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+Cl"	34.969402
"1287832"	208.941402	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Cl"	34.969402
"30666"	384.892606	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M-2H+K"	36.948606
"471083"	558.864606	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M-2H+K"	36.948606
"847668"	210.920606	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-2H+K"	36.948606
"1569696"	210.920606	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+K-2H"	36.948606
"958305"	218.970194	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-H+HCOOH"	44.998194
"376871"	392.942201	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+HCOOH-H"	44.998201
"358583"	406.957851	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+Hac-H"	59.013851
"1507053"	232.985851	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Hac-H"	59.013851
"973138"	240.952151	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-H+NaCOOH"	66.980151
"122776"	208.941402	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+2Cl"	69.938804
"564769"	295.927402	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+2Cl"	69.938804
"1036726"	121.955402	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2Cl"	69.938804
"1254721"	252.890885	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Br"	78.918885
"1316802"	254.946872	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Cl+HCOOH"	80.974872
"1333935"	276.928829	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Cl+NaCOOH"	102.956829
"924991"	286.957586	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M-H+CF3COOH"	112.985586
"1301335"	322.934264	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Cl+CF3COOH"	148.962264
"1380467"	138.959324	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H-2H2O"	-35.012676
"1392982"	156.9693	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H-H2O"	-17.0027
"293033"	348.951276	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+H"	1.007276
"685088"	522.923276	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+H"	1.007276
"1358158"	174.979276	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H"	1.007276
"129952"	174.979276	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+2H"	2.014552
"577899"	261.965276	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+2H"	2.014552
"1047795"	87.993276	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2H"	2.014552
"216060"	116.988609333333	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+3H"	3.021828
"653432"	174.979276	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+3H"	3.021828
"1170465"	58.9979426666667	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+3H"	3.021828
"438118"	365.977823	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+NH4"	18.033823
"799475"	539.949823	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+NH4"	18.033823
"1692164"	192.005823	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+NH4"	18.033823
"339347"	183.4925495	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+H+NH4"	19.041099
"726300"	270.4785495	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+H+NH4"	19.041099
"1478175"	96.5065495	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H+NH4"	19.041099
"402083"	370.933218	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+Na"	22.989218
"769157"	544.905218	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+Na"	22.989218
"1612275"	196.961218	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Na"	22.989218
"323405"	185.970247	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+H+Na"	23.996494
"714731"	272.956247	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+H+Na"	23.996494
"1466362"	98.984247	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H+Na"	23.996494
"1055233"	66.3252566666667	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2H+Na"	25.00377
"1263470"	207.005486	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+CH3OH+H"	33.033486
"379495"	386.907158	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+K"	38.963158
"740490"	560.879158	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+K"	38.963158
"1542908"	212.935158	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+K"	38.963158
"302639"	193.957217	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+H+K"	39.970434
"694328"	280.943217	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+H+K"	39.970434
"1448874"	106.971217	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H+K"	39.970434
"239305"	389.977826	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+ACN+H"	42.033826
"1213472"	216.005826	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+ACN+H"	42.033826
"1201368"	108.506551	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+ACN+2H"	43.041102
"200441"	392.91516	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+2Na-H"	44.97116
"633808"	566.88716	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+2Na-H"	44.97116
"1138412"	218.94316	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2Na-H"	44.97116
"183887"	196.961218	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+2Na"	45.978436
"621261"	283.947218	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+2Na"	45.978436
"1126589"	109.975218	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2Na"	45.978436
"1410113"	73.6525706666667	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H+2Na"	46.985712
"1437125"	220.984746	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H+HCOOH"	47.012746
"229007"	201.99424	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+3H2O+2H"	56.04448
"1514882"	235.03679	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+IsoProp+H"	61.06479
"415661"	204.948188	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+Na+K"	61.952376
"774835"	291.934188	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+Na+K"	61.952376
"1670071"	117.962188	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Na+K"	61.952376
"255135"	411.959768	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+ACN+Na"	64.015768
"1237694"	237.987768	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+ACN+Na"	64.015768
"1724393"	238.011293	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+NH4+HCOOH"	64.039293
"1191936"	80.9798846666667	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+3Na"	68.967654
"1664015"	242.966688	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Na+HCOOH"	68.994688
"171605"	424.86304	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+2K-H"	76.91904
"611171"	598.83504	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+2K-H"	76.91904
"1098961"	250.89104	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2K-H"	76.91904
"156506"	212.935158	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"2M+2K"	77.926316
"595339"	299.921158	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"3M+2K"	77.926316
"1080947"	125.949158	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2K"	77.926316
"1113305"	252.905592	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2K+H"	78.933592
"1346530"	252.993207	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+DMSO+H"	79.021207
"1016153"	257.032376	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2ACN+H"	83.060376
"1537558"	258.026008	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+IsoProp+Na+H"	84.054008
"1004129"	129.019826	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+2ACN+2H"	84.067652
"1599602"	258.940628	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+K+HCOOH"	84.968628
"1426358"	288.972138	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+H+CF3COOH"	115.000138
"1161989"	149.533101	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+3ACN+2H"	125.094202
"1709478"	305.998685	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+NH4+CF3COOH"	132.026685
"1648408"	310.95408	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+Na+CF3COOH"	136.98208
"1581869"	326.92802	"C04729"	"trans-2-Chloro-4-carboxymethylenebut-2-en-14-olide;trans-2-Chlorodienelactone"	"C6H3ClO4"	"173.972"	"M+K+CF3COOH"	152.95602
"808956"	189.1154	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M"	0
"977384"	170.09701	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-H2O-H"	-19.01839
"77298"	125.069657333333	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M-3H"	-3.021828
"512482"	188.108124	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M-3H"	-3.021828
"887002"	62.0311906666667	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-3H"	-3.021828
"7764"	188.108124	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M-2H"	-2.014552
"446235"	282.665824	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M-2H"	-2.014552
"825131"	93.550424	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-2H"	-2.014552
"90592"	377.223524	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M-H"	-1.007276
"530890"	566.338924	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M-H"	-1.007276
"908687"	188.108124	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-H"	-1.007276
"59665"	394.250071	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M-2H+NH4"	16.019271
"500558"	583.365471	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M-2H+NH4"	16.019271
"874224"	205.134671	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-2H+NH4"	16.019271
"37751"	399.205466	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M-2H+Na"	20.974666
"484974"	588.320866	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M-2H+Na"	20.974666
"861684"	210.090066	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-2H+Na"	20.974666
"1630125"	210.090066	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Na-2H"	20.974666
"109706"	206.096463	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M-H+Cl"	33.962126
"549504"	300.654163	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M-H+Cl"	33.962126
"939366"	111.538763	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-H+Cl"	33.962126
"282061"	413.200202	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+Cl"	34.969402
"674727"	602.315602	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+Cl"	34.969402
"1288403"	224.084802	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Cl"	34.969402
"30414"	415.179406	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M-2H+K"	36.948606
"470705"	604.294806	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M-2H+K"	36.948606
"847414"	226.064006	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-2H+K"	36.948606
"1569445"	226.064006	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+K-2H"	36.948606
"957571"	234.113594	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-H+HCOOH"	44.998194
"375174"	423.229001	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+HCOOH-H"	44.998201
"359789"	437.244651	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+Hac-H"	59.013851
"1507408"	248.129251	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Hac-H"	59.013851
"972762"	256.095551	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-H+NaCOOH"	66.980151
"124465"	224.084802	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+2Cl"	69.938804
"565573"	318.642502	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+2Cl"	69.938804
"1035497"	129.527102	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2Cl"	69.938804
"1253734"	268.034285	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Br"	78.918885
"1319722"	270.090272	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Cl+HCOOH"	80.974872
"1334409"	292.072229	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Cl+NaCOOH"	102.956829
"926076"	302.100986	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M-H+CF3COOH"	112.985586
"1300350"	338.077664	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Cl+CF3COOH"	148.962264
"1381064"	154.102724	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H-2H2O"	-35.012676
"1392727"	172.1127	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H-H2O"	-17.0027
"289496"	379.238076	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+H"	1.007276
"684471"	568.353476	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+H"	1.007276
"1360820"	190.122676	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H"	1.007276
"134074"	190.122676	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+2H"	2.014552
"581057"	284.680376	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+2H"	2.014552
"1052283"	95.564976	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2H"	2.014552
"216901"	127.084209333333	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+3H"	3.021828
"655733"	190.122676	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+3H"	3.021828
"1178077"	64.0457426666667	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+3H"	3.021828
"439686"	396.264623	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+NH4"	18.033823
"800317"	585.380023	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+NH4"	18.033823
"1693367"	207.149223	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+NH4"	18.033823
"343467"	198.6359495	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+H+NH4"	19.041099
"727504"	293.1936495	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+H+NH4"	19.041099
"1487889"	104.0782495	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H+NH4"	19.041099
"407789"	401.220018	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+Na"	22.989218
"769271"	590.335418	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+Na"	22.989218
"1612385"	212.104618	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Na"	22.989218
"323513"	201.113647	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+H+Na"	23.996494
"714840"	295.671347	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+H+Na"	23.996494
"1468660"	106.555947	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H+Na"	23.996494
"1057530"	71.3730566666667	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2H+Na"	25.00377
"1261398"	222.148886	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+CH3OH+H"	33.033486
"377780"	417.193958	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+K"	38.963158
"740965"	606.309358	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+K"	38.963158
"1541194"	228.078558	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+K"	38.963158
"299462"	209.100617	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+H+K"	39.970434
"692250"	303.658317	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+H+K"	39.970434
"1448628"	114.542917	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H+K"	39.970434
"247071"	420.264626	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+ACN+H"	42.033826
"1221971"	231.149226	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+ACN+H"	42.033826
"1204766"	116.078251	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+ACN+2H"	43.041102
"196549"	423.20196	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+2Na-H"	44.97116
"631371"	612.31736	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+2Na-H"	44.97116
"1136698"	234.08656	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2Na-H"	44.97116
"177438"	212.104618	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+2Na"	45.978436
"621372"	306.662318	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+2Na"	45.978436
"1125969"	117.546918	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2Na"	45.978436
"1408766"	78.7003706666667	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H+2Na"	46.985712
"1440882"	236.128146	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H+HCOOH"	47.012746
"233129"	217.13764	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+3H2O+2H"	56.04448
"1517545"	250.18019	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+IsoProp+H"	61.06479
"418689"	220.091588	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+Na+K"	61.952376
"774945"	314.649288	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+Na+K"	61.952376
"1667995"	125.533888	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Na+K"	61.952376
"259621"	442.246568	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+ACN+Na"	64.015768
"1236706"	253.131168	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+ACN+Na"	64.015768
"1725604"	253.154693	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+NH4+HCOOH"	64.039293
"1190953"	86.0276846666667	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+3Na"	68.967654
"1662309"	258.110088	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Na+HCOOH"	68.994688
"170266"	455.14984	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+2K-H"	76.91904
"610549"	644.26524	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+2K-H"	76.91904
"1097981"	266.03444	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2K-H"	76.91904
"152608"	228.078558	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"2M+2K"	77.926316
"593629"	322.636258	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"3M+2K"	77.926316
"1079963"	133.520858	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2K"	77.926316
"1105882"	268.048992	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2K+H"	78.933592
"1340080"	268.136607	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+DMSO+H"	79.021207
"1015170"	272.175776	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2ACN+H"	83.060376
"1537303"	273.169408	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+IsoProp+Na+H"	84.054008
"994275"	136.591526	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+2ACN+2H"	84.067652
"1596434"	274.084028	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+K+HCOOH"	84.968628
"1422093"	304.115538	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+H+CF3COOH"	115.000138
"1153472"	157.104801	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+3ACN+2H"	125.094202
"1703026"	321.142085	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+NH4+CF3COOH"	132.026685
"1643050"	326.09748	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+Na+CF3COOH"	136.98208
"1578701"	342.07142	"C04731"	"1-Methyl-4-phenyl-1236-tetrahydropyridine N-oxide"	"C12H15NO"	"189.1154"	"M+K+CF3COOH"	152.95602
"809066"	276.107	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M"	0
"978223"	257.08861	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-H2O-H"	-19.01839
"77408"	183.064057333333	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M-3H"	-3.021828
"511499"	275.099724	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M-3H"	-3.021828
"887112"	91.0283906666667	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-3H"	-3.021828
"7874"	275.099724	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M-2H"	-2.014552
"445249"	413.153224	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M-2H"	-2.014552
"817379"	137.046224	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-2H"	-2.014552
"89608"	551.206724	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M-H"	-1.007276
"531356"	827.313724	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M-H"	-1.007276
"905879"	275.099724	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-H"	-1.007276
"60982"	568.233271	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M-2H+NH4"	16.019271
"499448"	844.340271	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M-2H+NH4"	16.019271
"872147"	292.126271	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-2H+NH4"	16.019271
"35674"	573.188666	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M-2H+Na"	20.974666
"485812"	849.295666	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M-2H+Na"	20.974666
"863248"	297.081666	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-2H+Na"	20.974666
"1632781"	297.081666	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Na-2H"	20.974666
"108840"	293.088063	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M-H+Cl"	33.962126
"548889"	431.141563	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M-H+Cl"	33.962126
"938747"	155.034563	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-H+Cl"	33.962126
"281923"	587.183402	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+Cl"	34.969402
"675081"	863.290402	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+Cl"	34.969402
"1287487"	311.076402	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Cl"	34.969402
"30888"	589.162606	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M-2H+K"	36.948606
"471099"	865.269606	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M-2H+K"	36.948606
"848291"	313.055606	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-2H+K"	36.948606
"1570887"	313.055606	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+K-2H"	36.948606
"957842"	321.105194	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-H+HCOOH"	44.998194
"376500"	597.212201	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+HCOOH-H"	44.998201
"360262"	611.227851	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+Hac-H"	59.013851
"1505813"	335.120851	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Hac-H"	59.013851
"972870"	343.087151	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-H+NaCOOH"	66.980151
"124940"	311.076402	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+2Cl"	69.938804
"564987"	449.129902	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+2Cl"	69.938804
"1036578"	173.022902	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2Cl"	69.938804
"1254208"	355.025885	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Br"	78.918885
"1319621"	357.081872	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Cl+HCOOH"	80.974872
"1334883"	379.063829	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Cl+NaCOOH"	102.956829
"926064"	389.092586	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M-H+CF3COOH"	112.985586
"1299730"	425.069264	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Cl+CF3COOH"	148.962264
"1381053"	241.094324	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H-2H2O"	-35.012676
"1393930"	259.1043	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H-H2O"	-17.0027
"288513"	553.221276	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+H"	1.007276
"684581"	829.328276	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+H"	1.007276
"1363482"	277.114276	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H"	1.007276
"135277"	277.114276	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+2H"	2.014552
"578490"	415.167776	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+2H"	2.014552
"1049477"	139.060776	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2H"	2.014552
"216282"	185.078609333333	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+3H"	3.021828
"655843"	277.114276	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+3H"	3.021828
"1178297"	93.0429426666667	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+3H"	3.021828
"438703"	570.247823	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+NH4"	18.033823
"800793"	846.354823	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+NH4"	18.033823
"1693477"	294.140823	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+NH4"	18.033823
"343942"	285.6275495	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+H+NH4"	19.041099
"726521"	423.6810495	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+H+NH4"	19.041099
"1487635"	147.5740495	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H+NH4"	19.041099
"404497"	575.203218	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+Na"	22.989218
"763304"	851.310218	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+Na"	22.989218
"1612494"	299.096218	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Na"	22.989218
"323623"	288.105247	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+H+Na"	23.996494
"712764"	426.158747	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+H+Na"	23.996494
"1464759"	150.051747	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H+Na"	23.996494
"1057639"	100.370256666667	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2H+Na"	25.00377
"1261872"	309.140486	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+CH3OH+H"	33.033486
"377766"	591.177158	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+K"	38.963158
"738888"	867.284158	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+K"	38.963158
"1540697"	315.070158	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+K"	38.963158
"299934"	296.092217	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+H+K"	39.970434
"692115"	434.145717	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+H+K"	39.970434
"1447645"	158.038717	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H+K"	39.970434
"244995"	594.247826	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+ACN+H"	42.033826
"1220988"	318.140826	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+ACN+H"	42.033826
"1203783"	159.574051	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+ACN+2H"	43.041102
"200669"	597.18516	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+2Na-H"	44.97116
"632939"	873.29216	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+2Na-H"	44.97116
"1135713"	321.07816	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2Na-H"	44.97116
"176817"	299.096218	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+2Na"	45.978436
"622575"	437.149718	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+2Na"	45.978436
"1126079"	161.042718	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2Na"	45.978436
"1406324"	107.697570666667	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H+2Na"	46.985712
"1440627"	323.119746	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H+HCOOH"	47.012746
"230323"	304.12924	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+3H2O+2H"	56.04448
"1518383"	337.17179	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+IsoProp+H"	61.06479
"415883"	307.083188	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+Na+K"	61.952376
"775784"	445.136688	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+Na+K"	61.952376
"1668469"	169.029688	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Na+K"	61.952376
"259731"	616.229768	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+ACN+Na"	64.015768
"1236816"	340.122768	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+ACN+Na"	64.015768
"1722420"	340.146293	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+NH4+HCOOH"	64.039293
"1191057"	115.024884666667	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+3Na"	68.967654
"1663146"	345.101688	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Na+HCOOH"	68.994688
"170740"	629.13304	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+2K-H"	76.91904
"610292"	905.24004	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+2K-H"	76.91904
"1098213"	353.02604	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2K-H"	76.91904
"154904"	315.070158	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"2M+2K"	77.926316
"594100"	453.123658	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"3M+2K"	77.926316
"1081531"	177.016658	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2K"	77.926316
"1105992"	355.040592	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2K+H"	78.933592
"1340190"	355.128207	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+DMSO+H"	79.021207
"1015280"	359.167376	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2ACN+H"	83.060376
"1532310"	360.161008	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+IsoProp+Na+H"	84.054008
"995478"	180.087326	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+2ACN+2H"	84.067652
"1594358"	361.075628	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+K+HCOOH"	84.968628
"1424390"	391.107138	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+H+CF3COOH"	115.000138
"1151396"	200.600601	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+3ACN+2H"	125.094202
"1700949"	408.133685	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+NH4+CF3COOH"	132.026685
"1643160"	413.08908	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+Na+CF3COOH"	136.98208
"1578811"	429.06302	"C04732"	"5-Amino-6-(1-D-ribitylamino)uracil;5-Amino-6-(D-ribitylamino)uracil;6-(1-D-Ribitylamino)-5-amino-24-dihydroxypyrimidine;6-(1-D-Ribitylamino)-5-aminouracil;4-(1-D-Ribitylamino)-5-amino-26-dihydroxypyrimidine"	"C9H16N4O6"	"276.107"	"M+K+CF3COOH"	152.95602
"801553"	352.0642	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M"	0
"977240"	333.04581	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-H2O-H"	-19.01839
"66578"	233.702190666667	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M-3H"	-3.021828
"508325"	351.056924	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M-3H"	-3.021828
"880087"	116.347457333333	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-3H"	-3.021828
"441"	351.056924	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M-2H"	-2.014552
"442080"	527.089024	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M-2H"	-2.014552
"818058"	175.024824	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-2H"	-2.014552
"79383"	703.121124	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M-H"	-1.007276
"519434"	1055.185324	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M-H"	-1.007276
"903799"	351.056924	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-H"	-1.007276
"49425"	720.147671	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M-2H+NH4"	16.019271
"488980"	1072.211871	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M-2H+NH4"	16.019271
"871162"	368.083471	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-2H+NH4"	16.019271
"32500"	725.103066	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M-2H+Na"	20.974666
"472672"	1077.167266	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M-2H+Na"	20.974666
"852056"	373.038866	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-2H+Na"	20.974666
"1621589"	373.038866	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Na-2H"	20.974666
"109845"	369.045263	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M-H+Cl"	33.962126
"549891"	545.077363	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M-H+Cl"	33.962126
"942703"	193.013163	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-H+Cl"	33.962126
"279601"	739.097802	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+Cl"	34.969402
"675226"	1091.162002	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+Cl"	34.969402
"1288076"	387.033602	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Cl"	34.969402
"30629"	741.077006	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M-2H+K"	36.948606
"471040"	1093.141206	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M-2H+K"	36.948606
"847953"	389.012806	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-2H+K"	36.948606
"1570631"	389.012806	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+K-2H"	36.948606
"957783"	397.062394	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-H+HCOOH"	44.998194
"374297"	749.126601	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+HCOOH-H"	44.998201
"358548"	763.142251	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+Hac-H"	59.013851
"1504100"	411.078051	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Hac-H"	59.013851
"969455"	419.044351	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-H+NaCOOH"	66.980151
"122737"	387.033602	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+2Cl"	69.938804
"560472"	563.065702	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+2Cl"	69.938804
"1031823"	211.001502	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2Cl"	69.938804
"1255899"	430.983085	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Br"	78.918885
"1318951"	433.039072	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Cl+HCOOH"	80.974872
"1333166"	455.021029	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Cl+NaCOOH"	102.956829
"919848"	465.049786	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M-H+CF3COOH"	112.985586
"1296556"	501.026464	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Cl+CF3COOH"	148.962264
"1374716"	317.051524	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H-2H2O"	-35.012676
"1390024"	335.0615	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H-H2O"	-17.0027
"285339"	705.135676	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+H"	1.007276
"679947"	1057.199876	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+H"	1.007276
"1355201"	353.071476	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H"	1.007276
"128092"	353.071476	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+2H"	2.014552
"578596"	529.103576	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+2H"	2.014552
"1045209"	177.039376	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2H"	2.014552
"213113"	235.716742666667	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+3H"	3.021828
"652673"	353.071476	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+3H"	3.021828
"1169704"	118.362009333333	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+3H"	3.021828
"435164"	722.162223	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+NH4"	18.033823
"799079"	1074.226423	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+NH4"	18.033823
"1692495"	370.098023	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+NH4"	18.033823
"342956"	361.5847495	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+H+NH4"	19.041099
"729911"	537.6168495	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+H+NH4"	19.041099
"1484828"	185.5526495	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H+NH4"	19.041099
"394762"	727.117618	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+Na"	22.989218
"755391"	1079.181818	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+Na"	22.989218
"1605311"	375.053418	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Na"	22.989218
"317171"	364.062447	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+H+Na"	23.996494
"707643"	540.094547	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+H+Na"	23.996494
"1461328"	188.030347	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H+Na"	23.996494
"1053857"	125.689323333333	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2H+Na"	25.00377
"1257601"	385.097686	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+CH3OH+H"	33.033486
"378366"	743.091558	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+K"	38.963158
"738789"	1095.155758	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+K"	38.963158
"1539895"	391.027358	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+K"	38.963158
"298954"	372.049417	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+H+K"	39.970434
"691398"	548.081517	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+H+K"	39.970434
"1445842"	196.017317	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H+K"	39.970434
"245104"	746.162226	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+ACN+H"	42.033826
"1221098"	394.098026	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+ACN+H"	42.033826
"1206079"	197.552651	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+ACN+2H"	43.041102
"202238"	749.09956	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+2Na-H"	44.97116
"633049"	1101.16376	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+2Na-H"	44.97116
"1139835"	397.03536	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2Na-H"	44.97116
"179115"	375.053418	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+2Na"	45.978436
"621591"	551.085518	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+2Na"	45.978436
"1121085"	199.021318	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2Na"	45.978436
"1406434"	133.016637333333	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H+2Na"	46.985712
"1439644"	399.076946	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H+HCOOH"	47.012746
"231526"	380.08644	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+3H2O+2H"	56.04448
"1518493"	413.12899	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+IsoProp+H"	61.06479
"415993"	383.040388	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+Na+K"	61.952376
"775894"	559.072488	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+Na+K"	61.952376
"1668579"	207.008288	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Na+K"	61.952376
"260934"	768.144168	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+ACN+Na"	64.015768
"1236926"	416.079968	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+ACN+Na"	64.015768
"1720344"	416.103493	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+NH4+HCOOH"	64.039293
"1184607"	140.343951333333	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+3Na"	68.967654
"1664349"	421.058888	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Na+HCOOH"	68.994688
"171576"	781.04744	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+2K-H"	76.91904
"608579"	1133.11164	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+2K-H"	76.91904
"1099046"	428.98324	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2K-H"	76.91904
"155014"	391.027358	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"2M+2K"	77.926316
"593845"	567.059458	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"3M+2K"	77.926316
"1080544"	214.995258	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2K"	77.926316
"1107195"	430.997792	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2K+H"	78.933592
"1340300"	431.085407	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+DMSO+H"	79.021207
"1014296"	435.124576	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2ACN+H"	83.060376
"1531326"	436.118208	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+IsoProp+Na+H"	84.054008
"996681"	218.065926	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+2ACN+2H"	84.067652
"1593372"	437.032828	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+K+HCOOH"	84.968628
"1421220"	467.064338	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+H+CF3COOH"	115.000138
"1155881"	238.579201	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+3ACN+2H"	125.094202
"1701423"	484.090885	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+NH4+CF3COOH"	132.026685
"1641083"	489.04628	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+Na+CF3COOH"	136.98208
"1578921"	505.02022	"C04733"	"4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate"	"C12H16O12"	"352.0642"	"M+K+CF3COOH"	152.95602
"802358"	366.0577	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M"	0
"978444"	347.03931	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-H2O-H"	-19.01839
"67781"	243.031190666667	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M-3H"	-3.021828
"508435"	365.050424	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M-3H"	-3.021828
"881860"	121.011957333333	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-3H"	-3.021828
"673"	365.050424	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M-2H"	-2.014552
"444376"	548.079274	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M-2H"	-2.014552
"817354"	182.021574	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-2H"	-2.014552
"80101"	731.108124	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M-H"	-1.007276
"519054"	1097.165824	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M-H"	-1.007276
"900628"	365.050424	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-H"	-1.007276
"49535"	748.134671	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M-2H+NH4"	16.019271
"487997"	1114.192371	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M-2H+NH4"	16.019271
"871272"	382.076971	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-2H+NH4"	16.019271
"31876"	753.090066	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M-2H+Na"	20.974666
"478736"	1119.147766	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M-2H+Na"	20.974666
"849249"	387.032366	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-2H+Na"	20.974666
"1622792"	387.032366	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Na-2H"	20.974666
"109875"	383.038763	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M-H+Cl"	33.962126
"549917"	566.067613	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M-H+Cl"	33.962126
"942005"	200.009913	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-H+Cl"	33.962126
"279710"	767.084802	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+Cl"	34.969402
"675173"	1133.142502	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+Cl"	34.969402
"1287941"	401.027102	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Cl"	34.969402
"30372"	769.064006	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M-2H+K"	36.948606
"471147"	1135.121706	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M-2H+K"	36.948606
"847695"	403.006306	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-2H+K"	36.948606
"1571023"	403.006306	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+K-2H"	36.948606
"957772"	411.055894	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-H+HCOOH"	44.998194
"375136"	777.113601	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+HCOOH-H"	44.998201
"359386"	791.129251	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+Hac-H"	59.013851
"1506762"	425.071551	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Hac-H"	59.013851
"971023"	433.037851	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-H+NaCOOH"	66.980151
"123212"	401.027102	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+2Cl"	69.938804
"560582"	584.055952	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+2Cl"	69.938804
"1033026"	217.998252	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2Cl"	69.938804
"1255154"	444.976585	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Br"	78.918885
"1319061"	447.032572	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Cl+HCOOH"	80.974872
"1331088"	469.014529	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Cl+NaCOOH"	102.956829
"921051"	479.043286	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M-H+CF3COOH"	112.985586
"1299946"	515.019964	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Cl+CF3COOH"	148.962264
"1373732"	331.045024	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H-2H2O"	-35.012676
"1390134"	349.055	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H-H2O"	-17.0027
"283258"	733.122676	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+H"	1.007276
"680057"	1099.180376	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+H"	1.007276
"1354218"	367.064976	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H"	1.007276
"128202"	367.064976	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+2H"	2.014552
"576154"	550.093826	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+2H"	2.014552
"1045319"	184.036126	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2H"	2.014552
"214316"	245.045742666667	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+3H"	3.021828
"649503"	367.064976	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+3H"	3.021828
"1169814"	123.026509333333	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+3H"	3.021828
"434910"	750.149223	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+NH4"	18.033823
"798096"	1116.206923	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+NH4"	18.033823
"1692605"	384.091523	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+NH4"	18.033823
"342702"	375.5782495	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+H+NH4"	19.041099
"730021"	558.6070995	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+H+NH4"	19.041099
"1484938"	192.5493995	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H+NH4"	19.041099
"394872"	755.104618	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+Na"	22.989218
"755137"	1121.162318	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+Na"	22.989218
"1607244"	389.046918	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Na"	22.989218
"316916"	378.055947	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+H+Na"	23.996494
"707628"	561.084797	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+H+Na"	23.996494
"1461689"	195.027097	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H+Na"	23.996494
"1053726"	130.353823333333	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2H+Na"	25.00377
"1257472"	399.091186	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+CH3OH+H"	33.033486
"377746"	771.078558	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+K"	38.963158
"738521"	1137.136258	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+K"	38.963158
"1539964"	405.020858	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+K"	38.963158
"300158"	386.042917	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+H+K"	39.970434
"691456"	569.071767	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+H+K"	39.970434
"1447129"	203.014067	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H+K"	39.970434
"239747"	774.149226	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+ACN+H"	42.033826
"1214643"	408.091526	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+ACN+H"	42.033826
"1201806"	204.549401	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+ACN+2H"	43.041102
"196871"	777.08656	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+2Na-H"	44.97116
"633523"	1143.14426	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+2Na-H"	44.97116
"1139215"	411.02886	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2Na-H"	44.97116
"178497"	389.046918	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+2Na"	45.978436
"620608"	572.075768	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+2Na"	45.978436
"1123383"	206.018068	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2Na"	45.978436
"1404358"	137.681137333333	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H+2Na"	46.985712
"1440847"	413.070446	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H+HCOOH"	47.012746
"229449"	394.07994	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+3H2O+2H"	56.04448
"1520790"	427.12249	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+IsoProp+H"	61.06479
"416103"	397.033888	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+Na+K"	61.952376
"778191"	580.062738	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+Na+K"	61.952376
"1667961"	214.005038	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Na+K"	61.952376
"261044"	796.131168	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+ACN+Na"	64.015768
"1237036"	430.073468	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+ACN+Na"	64.015768
"1718267"	430.096993	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+NH4+HCOOH"	64.039293
"1187995"	145.008451333333	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+3Na"	68.967654
"1663362"	435.052388	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Na+HCOOH"	68.994688
"171684"	809.03444	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+2K-H"	76.91904
"608688"	1175.09214	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+2K-H"	76.91904
"1098185"	442.97674	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2K-H"	76.91904
"155491"	405.020858	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"2M+2K"	77.926316
"593954"	588.049708	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"3M+2K"	77.926316
"1079559"	221.992008	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2K"	77.926316
"1106209"	444.991292	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2K+H"	78.933592
"1341501"	445.078907	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+DMSO+H"	79.021207
"1015499"	449.118076	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2ACN+H"	83.060376
"1533623"	450.111708	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+IsoProp+Na+H"	84.054008
"995698"	225.062676	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+2ACN+2H"	84.067652
"1593482"	451.026328	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+K+HCOOH"	84.968628
"1423516"	481.057838	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+H+CF3COOH"	115.000138
"1157084"	245.575951	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+3ACN+2H"	125.094202
"1703355"	498.084385	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+NH4+CF3COOH"	132.026685
"1643380"	503.03978	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+Na+CF3COOH"	136.98208
"1579031"	519.01372	"C04734"	"1-(5-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide;5-Phosphoribosyl-5-formamido-4-imidazolecarboxamide;5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide;5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;FAICAR"	"C10H15N4O9P"	"366.0577"	"M+K+CF3COOH"	152.95602
"815236"	833.2749	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M"	0
"985124"	814.25651	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-H2O-H"	-19.01839
"75552"	554.509324	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M-3H"	-3.021828
"510735"	832.267624	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M-3H"	-3.021828
"885258"	276.751024	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-3H"	-3.021828
"3833"	832.267624	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M-2H"	-2.014552
"441207"	1248.905074	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M-2H"	-2.014552
"825572"	415.630174	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-2H"	-2.014552
"85564"	1665.542524	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M-H"	-1.007276
"524031"	2498.817424	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M-H"	-1.007276
"897460"	832.267624	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-H"	-1.007276
"52927"	1682.569071	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M-2H+NH4"	16.019271
"487497"	2515.843971	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M-2H+NH4"	16.019271
"864347"	849.294171	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-2H+NH4"	16.019271
"37103"	1687.524466	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M-2H+Na"	20.974666
"482137"	2520.799366	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M-2H+Na"	20.974666
"857748"	854.249566	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-2H+Na"	20.974666
"1628376"	854.249566	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Na-2H"	20.974666
"106727"	850.255963	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M-H+Cl"	33.962126
"549207"	1266.893413	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M-H+Cl"	33.962126
"939804"	433.618513	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-H+Cl"	33.962126
"279453"	1701.519202	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+Cl"	34.969402
"673821"	2534.794102	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+Cl"	34.969402
"1288136"	868.244302	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Cl"	34.969402
"30608"	1703.498406	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M-2H+K"	36.948606
"470819"	2536.773306	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M-2H+K"	36.948606
"840193"	870.223506	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-2H+K"	36.948606
"1557487"	870.223506	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+K-2H"	36.948606
"950471"	878.273094	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-H+HCOOH"	44.998194
"366502"	1711.548001	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+HCOOH-H"	44.998201
"348198"	1725.563651	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+Hac-H"	59.013851
"1499218"	892.288751	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Hac-H"	59.013851
"970404"	900.255051	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-H+NaCOOH"	66.980151
"122228"	868.244302	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+2Cl"	69.938804
"559599"	1284.881752	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+2Cl"	69.938804
"1034233"	451.606852	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2Cl"	69.938804
"1253447"	912.193785	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Br"	78.918885
"1318807"	914.249772	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Cl+HCOOH"	80.974872
"1333756"	936.231729	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Cl+NaCOOH"	102.956829
"922256"	946.260486	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M-H+CF3COOH"	112.985586
"1296777"	982.237164	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Cl+CF3COOH"	148.962264
"1377123"	798.262224	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H-2H2O"	-35.012676
"1392434"	816.2722	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H-H2O"	-17.0027
"288841"	1667.557076	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+H"	1.007276
"690636"	2500.831976	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+H"	1.007276
"1363095"	834.282176	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H"	1.007276
"135982"	834.282176	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+2H"	2.014552
"575542"	1250.919626	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+2H"	2.014552
"1048715"	417.644726	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2H"	2.014552
"215521"	556.523876	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+3H"	3.021828
"650705"	834.282176	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+3H"	3.021828
"1169925"	278.765576	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+3H"	3.021828
"428823"	1684.583623	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+NH4"	18.033823
"798934"	2517.858523	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+NH4"	18.033823
"1686521"	851.308723	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+NH4"	18.033823
"334798"	842.7954495	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+H+NH4"	19.041099
"725398"	1259.4328995	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+H+NH4"	19.041099
"1480677"	426.1579995	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H+NH4"	19.041099
"398628"	1689.539018	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+Na"	22.989218
"763631"	2522.813918	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+Na"	22.989218
"1606626"	856.264118	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Na"	22.989218
"316661"	845.273147	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+H+Na"	23.996494
"709811"	1261.910597	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+H+Na"	23.996494
"1462656"	428.635697	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H+Na"	23.996494
"1053103"	286.09289	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2H+Na"	25.00377
"1257581"	866.308386	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+CH3OH+H"	33.033486
"377977"	1705.512958	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+K"	38.963158
"738970"	2538.787858	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+K"	38.963158
"1540459"	872.238058	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+K"	38.963158
"305017"	853.260117	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+H+K"	39.970434
"702908"	1269.897567	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+H+K"	39.970434
"1453445"	436.622667	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H+K"	39.970434
"247522"	1708.583626	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+ACN+H"	42.033826
"1222786"	875.308726	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+ACN+H"	42.033826
"1207035"	438.158001	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+ACN+2H"	43.041102
"192978"	1711.52096	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+2Na-H"	44.97116
"637642"	2544.79586	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+2Na-H"	44.97116
"1136043"	878.24606	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2Na-H"	44.97116
"180065"	856.264118	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+2Na"	45.978436
"615979"	1272.901568	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+2Na"	45.978436
"1124225"	439.626668	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2Na"	45.978436
"1404468"	293.420204	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H+2Na"	46.985712
"1436584"	880.287646	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H+HCOOH"	47.012746
"223361"	861.29714	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+3H2O+2H"	56.04448
"1511787"	894.33969	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+IsoProp+H"	61.06479
"412204"	864.251088	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+Na+K"	61.952376
"773926"	1280.888538	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+Na+K"	61.952376
"1669165"	447.613638	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Na+K"	61.952376
"257874"	1730.565568	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+ACN+Na"	64.015768
"1236053"	897.290668	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+ACN+Na"	64.015768
"1723846"	897.314193	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+NH4+HCOOH"	64.039293
"1185921"	300.747518	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+3Na"	68.967654
"1659094"	902.269588	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Na+HCOOH"	68.994688
"168882"	1743.46884	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+2K-H"	76.91904
"604427"	2576.74374	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+2K-H"	76.91904
"1090761"	910.19394	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2K-H"	76.91904
"147943"	872.238058	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"2M+2K"	77.926316
"586411"	1288.875508	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"3M+2K"	77.926316
"1075297"	455.600608	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2K"	77.926316
"1104133"	912.208492	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2K+H"	78.933592
"1336263"	912.296107	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+DMSO+H"	79.021207
"1009045"	916.335276	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2ACN+H"	83.060376
"1528263"	917.328908	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+IsoProp+Na+H"	84.054008
"997991"	458.671276	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+2ACN+2H"	84.067652
"1587750"	918.243528	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+K+HCOOH"	84.968628
"1415969"	948.275038	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+H+CF3COOH"	115.000138
"1149537"	479.184551	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+3ACN+2H"	125.094202
"1705650"	965.301585	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+NH4+CF3COOH"	132.026685
"1639115"	970.25698	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+Na+CF3COOH"	136.98208
"1572583"	986.23092	"C04738"	"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-N-acetylglucosamine"	"C31H53N3O19P2"	"833.2749"	"M+K+CF3COOH"	152.95602
"814980"	849.1007	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M"	0
"986328"	830.08231	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-H2O-H"	-19.01839
"74568"	565.059857333333	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M-3H"	-3.021828
"513031"	848.093424	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M-3H"	-3.021828
"887554"	282.026290666667	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-3H"	-3.021828
"5036"	848.093424	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M-2H"	-2.014552
"442410"	1272.643774	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M-2H"	-2.014552
"817782"	423.543074	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-2H"	-2.014552
"79960"	1697.194124	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M-H"	-1.007276
"523046"	2546.294824	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M-H"	-1.007276
"895977"	848.093424	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-H"	-1.007276
"47801"	1714.220671	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M-2H+NH4"	16.019271
"487368"	2563.321371	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M-2H+NH4"	16.019271
"865297"	865.119971	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-2H+NH4"	16.019271
"38306"	1719.176066	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M-2H+Na"	20.974666
"483338"	2568.276766	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M-2H+Na"	20.974666
"855670"	870.075366	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-2H+Na"	20.974666
"1628486"	870.075366	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Na-2H"	20.974666
"107931"	866.081763	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M-H+Cl"	33.962126
"549198"	1290.632113	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M-H+Cl"	33.962126
"941006"	441.531413	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-H+Cl"	33.962126
"278833"	1733.170802	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+Cl"	34.969402
"674171"	2582.271502	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+Cl"	34.969402
"1287305"	884.070102	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Cl"	34.969402
"30590"	1735.150006	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M-2H+K"	36.948606
"469786"	2584.250706	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M-2H+K"	36.948606
"839209"	886.049306	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-2H+K"	36.948606
"1560512"	886.049306	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+K-2H"	36.948606
"953860"	894.098894	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-H+HCOOH"	44.998194
"368798"	1743.199601	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+HCOOH-H"	44.998201
"351588"	1757.215251	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+Hac-H"	59.013851
"1502607"	908.114551	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Hac-H"	59.013851
"966867"	916.080851	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-H+NaCOOH"	66.980151
"124525"	884.070102	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+2Cl"	69.938804
"560802"	1308.620452	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+2Cl"	69.938804
"1035072"	459.519752	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2Cl"	69.938804
"1256840"	928.019585	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Br"	78.918885
"1319282"	930.075572	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Cl+HCOOH"	80.974872
"1333496"	952.057529	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Cl+NaCOOH"	102.956829
"925649"	962.086286	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M-H+CF3COOH"	112.985586
"1297980"	998.062964	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Cl+CF3COOH"	148.962264
"1377963"	814.088024	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H-2H2O"	-35.012676
"1389262"	832.098	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H-H2O"	-17.0027
"287856"	1699.208676	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+H"	1.007276
"690862"	2548.309376	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+H"	1.007276
"1365389"	850.107976	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H"	1.007276
"139371"	850.107976	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+2H"	2.014552
"575652"	1274.658326	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+2H"	2.014552
"1049917"	425.557626	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2H"	2.014552
"212351"	567.074409333333	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+3H"	3.021828
"653002"	850.107976	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+3H"	3.021828
"1170034"	284.040842666667	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+3H"	3.021828
"428933"	1716.235223	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+NH4"	18.033823
"799408"	2565.335923	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+NH4"	18.033823
"1687361"	867.134523	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+NH4"	18.033823
"334546"	858.6212495	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+H+NH4"	19.041099
"729153"	1283.1715995	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+H+NH4"	19.041099
"1480788"	434.0708995	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H+NH4"	19.041099
"400560"	1721.190618	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+Na"	22.989218
"764834"	2570.291318	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+Na"	22.989218
"1608558"	872.089918	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Na"	22.989218
"316771"	861.098947	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+H+Na"	23.996494
"709557"	1285.649297	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+H+Na"	23.996494
"1462036"	436.548597	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H+Na"	23.996494
"1053823"	291.368156666667	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2H+Na"	25.00377
"1257933"	882.134186	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+CH3OH+H"	33.033486
"378330"	1737.164558	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+K"	38.963158
"739691"	2586.265258	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+K"	38.963158
"1540529"	888.063858	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+K"	38.963158
"305127"	869.085917	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+H+K"	39.970434
"703747"	1293.636267	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+H+K"	39.970434
"1455742"	444.535567	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H+K"	39.970434
"247632"	1740.235226	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+ACN+H"	42.033826
"1223869"	891.134526	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+ACN+H"	42.033826
"1205322"	446.070901	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+ACN+2H"	43.041102
"193817"	1743.17256	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+2Na-H"	44.97116
"637753"	2592.27326	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+2Na-H"	44.97116
"1140165"	894.07186	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2Na-H"	44.97116
"181269"	872.089918	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+2Na"	45.978436
"616089"	1296.640268	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+2Na"	45.978436
"1124335"	447.539568	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2Na"	45.978436
"1401660"	298.695470666667	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H+2Na"	46.985712
"1436694"	896.113446	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H+HCOOH"	47.012746
"225295"	877.12294	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+3H2O+2H"	56.04448
"1513356"	910.16549	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+IsoProp+H"	61.06479
"411950"	880.076888	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+Na+K"	61.952376
"771851"	1304.627238	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+Na+K"	61.952376
"1669275"	455.526538	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Na+K"	61.952376
"252270"	1762.217168	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+ACN+Na"	64.015768
"1229600"	913.116468	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+ACN+Na"	64.015768
"1721769"	913.139993	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+NH4+HCOOH"	64.039293
"1186031"	306.022784666667	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+3Na"	68.967654
"1659204"	918.095388	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Na+HCOOH"	68.994688
"169354"	1775.12044	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+2K-H"	76.91904
"604537"	2624.22114	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+2K-H"	76.91904
"1089049"	926.01974	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2K-H"	76.91904
"150240"	888.063858	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"2M+2K"	77.926316
"584335"	1312.614208	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"3M+2K"	77.926316
"1073221"	463.513508	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2K"	77.926316
"1105337"	928.034292	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2K+H"	78.933592
"1337467"	928.121907	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+DMSO+H"	79.021207
"1007333"	932.161076	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2ACN+H"	83.060376
"1527281"	933.154708	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+IsoProp+Na+H"	84.054008
"997008"	466.584176	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+2ACN+2H"	84.067652
"1587132"	934.069328	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+K+HCOOH"	84.968628
"1414295"	964.100838	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+H+CF3COOH"	115.000138
"1148554"	487.097451	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+3ACN+2H"	125.094202
"1705760"	981.127385	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+NH4+CF3COOH"	132.026685
"1635945"	986.08278	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+Na+CF3COOH"	136.98208
"1573786"	1002.05672	"C04739"	"UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine;UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine"	"C23H38N3O25P3"	"849.1007"	"M+K+CF3COOH"	152.95602
"816183"	354.2406	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M"	0
"979876"	335.22221	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"68115"	235.153124	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"508771"	353.233324	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"883292"	117.072924	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"5148"	353.233324	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"441786"	530.353624	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"817766"	176.113024	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"79096"	707.473924	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"519504"	1061.714524	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"896331"	353.233324	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"47913"	724.500471	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"487959"	1078.741071	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"864798"	370.259871	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"35137"	729.455866	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"475791"	1083.696466	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"857967"	375.215266	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1630052"	375.215266	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"107677"	371.221663	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"541406"	548.341963	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"940387"	194.101363	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"277119"	743.450602	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"674647"	1097.691202	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1287414"	389.210002	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"29606"	745.429806	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"458238"	1099.670406	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"838225"	391.189206	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1560620"	391.189206	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"945947"	399.238794	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"363433"	753.479401	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"354974"	767.495051	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1501619"	413.254451	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"969161"	421.220751	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"119892"	389.210002	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"563097"	566.330302	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1034453"	212.089702	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1255119"	433.159485	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1317203"	435.215472	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1331418"	457.197429	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"922477"	467.226186	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1299183"	503.202864	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1377349"	319.227924	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1390471"	337.2379	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"294540"	709.488476	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"683680"	1063.729076	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1363312"	355.247876	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"137294"	355.247876	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"572479"	532.368176	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1044560"	178.127576	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"212461"	237.167676	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"652020"	355.247876	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1170147"	119.087476	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"435609"	726.515023	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"792231"	1080.755623	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1681756"	372.274423	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"331737"	363.7611495	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"727078"	540.8814495	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1481990"	186.6408495	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"399576"	731.470418	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"757291"	1085.711018	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1605388"	377.229818	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"317242"	366.238847	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"710034"	543.359147	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1463854"	189.118547	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1054912"	126.41479	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1258775"	387.274086	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"378446"	747.444358	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"746005"	1101.684958	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1553533"	393.203758	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"312171"	374.225817	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"700944"	551.346117	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1456953"	197.105517	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"250541"	750.515026	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1224102"	396.274426	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1202152"	198.640851	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"193200"	753.45236	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"641509"	1107.69296	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1141369"	399.21176	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"182473"	377.229818	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"619846"	554.350118	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1125175"	200.109518	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1401770"	133.742104	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1440084"	401.253346	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"225767"	382.26284	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1511278"	415.30539	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"412059"	385.216788	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"774149"	562.337088	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1669386"	208.096488	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"264658"	772.496968	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1234087"	418.256368	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1719692"	418.279893	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1186140"	141.069418	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1661149"	423.235288	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"166183"	785.40024	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"606472"	1139.64084	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1092441"	431.15964	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"149257"	393.203758	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"590642"	570.324058	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1077705"	216.083458	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1104354"	433.174192	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1337457"	433.261807	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1006351"	437.300976	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1526297"	438.294608	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"990671"	219.154126	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1587489"	439.209228	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1414399"	469.240738	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1148664"	239.667401	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1697162"	486.267285	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1636421"	491.22268	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1571384"	507.19662	"C04741"	"Alprostadil;Prostaglandin E1;(13E)-(15S)-11alpha15-Dihydroxy-9-oxoprost-13-enoate;PGE1"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"809729"	320.2351	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M"	0
"982173"	301.21671	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"67132"	212.482790666667	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"512161"	319.227824	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"884495"	105.737757333333	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"3071"	319.227824	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"441897"	479.345374	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"818606"	159.110274	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"79815"	639.462924	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"518808"	959.698024	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"896568"	319.227824	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"47459"	656.489471	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"487710"	976.724571	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"865154"	336.254371	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"35247"	661.444866	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"475900"	981.679966	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"853702"	341.209766	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1630162"	341.209766	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"108516"	337.216163	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"542608"	497.333713	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"940133"	177.098613	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"279052"	675.439602	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"670016"	995.674702	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1288137"	355.204502	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"28622"	677.418806	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"459441"	997.653906	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"838335"	357.183706	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1560730"	357.183706	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"944964"	365.233294	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"363545"	685.468401	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"349616"	699.484051	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1502822"	379.248951	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"970000"	387.215251	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"121095"	355.204502	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"563572"	515.322052	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1035292"	195.086952	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1254500"	399.153985	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1317313"	401.209972	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1334449"	423.191929	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"921494"	433.220686	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1297108"	469.197364	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1377459"	285.222424	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1398312"	303.2324	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"294649"	641.477476	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"685977"	961.712576	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1363422"	321.242376	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"137404"	321.242376	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"573681"	481.359926	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1047950"	161.124826	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"211477"	214.497342666667	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"651037"	321.242376	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1173537"	107.752309333333	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"430615"	658.504023	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"792705"	978.739123	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1683324"	338.268923	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"336221"	329.7556495	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"729374"	489.8731995	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1482099"	169.6380995	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"401873"	663.459418	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"759587"	983.694518	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1605863"	343.224318	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"315531"	332.233347	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"711237"	492.350897	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1465057"	172.115797	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1055386"	115.079623333333	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1258159"	353.268586	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"378557"	679.433358	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"740647"	999.668458	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1548177"	359.198258	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"312281"	340.220317	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"705067"	500.337867	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1453783"	180.102767	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"250407"	682.504026	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1224818"	362.268926	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1198981"	181.638101	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"191852"	685.44136	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"641619"	1005.67646	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1138199"	365.20626	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"179303"	343.224318	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"617769"	503.341868	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1124555"	183.106768	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1403704"	122.406937333333	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1435820"	367.247846	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"222596"	348.25734	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1510296"	381.29989	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"411076"	351.211288	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"774259"	511.328838	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1668403"	191.093738	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"265497"	704.485968	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1236383"	384.250868	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1718708"	384.274393	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1186249"	129.734251333333	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1659435"	389.229788	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"165929"	717.38924	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"606582"	1037.62434	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1091458"	397.15414	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"151921"	359.198258	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590022"	519.315808	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1078908"	199.080708	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1102277"	399.168692	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1338661"	399.256307	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1009377"	403.295476	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1527501"	404.289108	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"990664"	202.151376	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1587603"	405.203728	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1415449"	435.235238	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1147925"	222.664651	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1702704"	452.261785	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1637260"	457.21718	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1571692"	473.19112	"C04742"	"(15S)-15-Hydroxy-5811-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5811-cis-13-trans-icosatetraenoate;(5Z8Z11Z13E)-(15S)-15-Hydroxyicosa-581113-tetraenoic acid;15(S)-HETE"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"803278"	183.0756	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M"	0
"984470"	164.05721	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-H2O-H"	-19.01839
"70522"	121.043124	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M-3H"	-3.021828
"515552"	182.068324	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M-3H"	-3.021828
"887886"	60.017924	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-3H"	-3.021828
"3180"	182.068324	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M-2H"	-2.014552
"441645"	273.606124	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M-2H"	-2.014552
"818352"	90.530524	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-2H"	-2.014552
"79115"	365.143924	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M-H"	-1.007276
"523007"	548.219524	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M-H"	-1.007276
"895823"	182.068324	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-H"	-1.007276
"47142"	382.170471	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M-2H+NH4"	16.019271
"487146"	565.246071	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M-2H+NH4"	16.019271
"870735"	199.094871	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-2H+NH4"	16.019271
"36450"	387.125866	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M-2H+Na"	20.974666
"476010"	570.201466	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M-2H+Na"	20.974666
"855998"	204.050266	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-2H+Na"	20.974666
"1630272"	204.050266	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Na-2H"	20.974666
"102062"	200.056663	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M-H+Cl"	33.962126
"549648"	291.594463	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M-H+Cl"	33.962126
"936233"	108.518863	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-H+Cl"	33.962126
"282080"	401.120602	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+Cl"	34.969402
"672678"	584.196202	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+Cl"	34.969402
"1287638"	218.045002	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Cl"	34.969402
"26546"	403.099806	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M-2H+K"	36.948606
"462832"	586.175406	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M-2H+K"	36.948606
"836259"	220.024206	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-2H+K"	36.948606
"1561934"	220.024206	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+K-2H"	36.948606
"948722"	228.073794	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-H+HCOOH"	44.998194
"362564"	411.149401	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+HCOOH-H"	44.998201
"355193"	425.165051	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+Hac-H"	59.013851
"1502932"	242.089451	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Hac-H"	59.013851
"968288"	250.055751	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-H+NaCOOH"	66.980151
"120476"	218.045002	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+2Cl"	69.938804
"560035"	309.582802	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+2Cl"	69.938804
"1033574"	126.507202	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2Cl"	69.938804
"1254610"	261.994485	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Br"	78.918885
"1315235"	264.050472	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Cl+HCOOH"	80.974872
"1335286"	286.032429	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Cl+NaCOOH"	102.956829
"921604"	296.061186	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M-H+CF3COOH"	112.985586
"1298312"	332.037864	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Cl+CF3COOH"	148.962264
"1377569"	148.062924	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H-2H2O"	-35.012676
"1398226"	166.0729	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H-H2O"	-17.0027
"293667"	367.158476	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+H"	1.007276
"683901"	550.234076	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+H"	1.007276
"1360250"	184.082876	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H"	1.007276
"134232"	184.082876	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+2H"	2.014552
"572698"	275.620676	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+2H"	2.014552
"1048062"	92.545076	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2H"	2.014552
"210495"	123.057676	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+3H"	3.021828
"654427"	184.082876	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+3H"	3.021828
"1171461"	62.032476	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+3H"	3.021828
"430361"	384.185023	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+NH4"	18.033823
"791357"	567.260623	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+NH4"	18.033823
"1684772"	201.109423	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+NH4"	18.033823
"337061"	192.5961495	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+H+NH4"	19.041099
"728393"	284.1339495	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+H+NH4"	19.041099
"1482209"	101.0583495	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H+NH4"	19.041099
"400889"	389.140418	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+Na"	22.989218
"758968"	572.216018	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+Na"	22.989218
"1606335"	206.064818	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Na"	22.989218
"315640"	195.073847	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+H+Na"	23.996494
"711347"	286.611647	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+H+Na"	23.996494
"1463343"	103.536047	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H+Na"	23.996494
"1056588"	69.35979	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2H+Na"	25.00377
"1259361"	216.109086	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+CH3OH+H"	33.033486
"379394"	405.114358	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+K"	38.963158
"740757"	588.189958	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+K"	38.963158
"1548287"	222.038758	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+K"	38.963158
"314058"	203.060817	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+H+K"	39.970434
"704445"	294.598617	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+H+K"	39.970434
"1453893"	111.523017	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H+K"	39.970434
"250639"	408.185026	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+ACN+H"	42.033826
"1224564"	225.109426	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+ACN+H"	42.033826
"1200184"	113.058351	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+ACN+2H"	43.041102
"191596"	411.12236	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+2Na-H"	44.97116
"633709"	594.19796	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+2Na-H"	44.97116
"1138308"	228.04676	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2Na-H"	44.97116
"181599"	206.064818	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+2Na"	45.978436
"624804"	297.602618	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+2Na"	45.978436
"1122479"	114.527018	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2Na"	45.978436
"1406001"	76.687104	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H+2Na"	46.985712
"1439210"	230.088346	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H+HCOOH"	47.012746
"222706"	211.09784	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+3H2O+2H"	56.04448
"1511864"	244.14039	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+IsoProp+H"	61.06479
"411184"	214.051788	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+Na+K"	61.952376
"774369"	305.589588	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+Na+K"	61.952376
"1669606"	122.513988	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Na+K"	61.952376
"265607"	430.166968	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+ACN+Na"	64.015768
"1238680"	247.091368	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+ACN+Na"	64.015768
"1718818"	247.114893	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+NH4+HCOOH"	64.039293
"1186359"	84.014418	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+3Na"	68.967654
"1663190"	252.070288	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Na+HCOOH"	68.994688
"171144"	443.07024	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+2K-H"	76.91904
"607786"	626.14584	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+2K-H"	76.91904
"1091568"	259.99464	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2K-H"	76.91904
"151301"	222.038758	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"2M+2K"	77.926316
"591225"	313.576558	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"3M+2K"	77.926316
"1080113"	130.500958	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2K"	77.926316
"1104574"	262.009192	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2K+H"	78.933592
"1339864"	262.096807	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+DMSO+H"	79.021207
"1009487"	266.135976	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2ACN+H"	83.060376
"1526518"	267.129608	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+IsoProp+Na+H"	84.054008
"990245"	133.571626	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+2ACN+2H"	84.067652
"1588685"	268.044228	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+K+HCOOH"	84.968628
"1414951"	298.075738	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+H+CF3COOH"	115.000138
"1148885"	154.084901	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+3ACN+2H"	125.094202
"1701720"	315.102285	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+NH4+CF3COOH"	132.026685
"1636277"	320.05768	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+Na+CF3COOH"	136.98208
"1571482"	336.03162	"C04744"	"26-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine"	"C6H9N5O2"	"183.0756"	"M+K+CF3COOH"	152.95602
"803388"	430.3447	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M"	0
"985673"	411.32631	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-H2O-H"	-19.01839
"70632"	285.889190666667	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M-3H"	-3.021828
"515662"	429.337424	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M-3H"	-3.021828
"887996"	142.440957333333	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-3H"	-3.021828
"4384"	429.337424	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M-2H"	-2.014552
"440063"	644.509774	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M-2H"	-2.014552
"817136"	214.165074	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-2H"	-2.014552
"78619"	859.682124	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M-H"	-1.007276
"518742"	1290.026824	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M-H"	-1.007276
"896425"	429.337424	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-H"	-1.007276
"47228"	876.708671	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M-2H+NH4"	16.019271
"487178"	1307.053371	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M-2H+NH4"	16.019271
"866470"	446.363971	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-2H+NH4"	16.019271
"36560"	881.664066	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M-2H+Na"	20.974666
"477213"	1312.008766	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M-2H+Na"	20.974666
"855014"	451.319366	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-2H+Na"	20.974666
"1627830"	451.319366	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Na-2H"	20.974666
"103994"	447.325763	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M-H+Cl"	33.962126
"548904"	662.498113	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M-H+Cl"	33.962126
"941937"	232.153413	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-H+Cl"	33.962126
"278542"	895.658802	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+Cl"	34.969402
"674614"	1326.003502	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+Cl"	34.969402
"1284096"	465.314102	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Cl"	34.969402
"22282"	897.638006	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M-2H+K"	36.948606
"462942"	1327.982706	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M-2H+K"	36.948606
"839649"	467.293306	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-2H+K"	36.948606
"1560951"	467.293306	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+K-2H"	36.948606
"946646"	475.342894	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-H+HCOOH"	44.998194
"364861"	905.687601	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+HCOOH-H"	44.998201
"353117"	919.703251	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+Hac-H"	59.013851
"1499762"	489.358551	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Hac-H"	59.013851
"969491"	497.324851	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-H+NaCOOH"	66.980151
"121315"	465.314102	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+2Cl"	69.938804
"560145"	680.486452	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+2Cl"	69.938804
"1032225"	250.141752	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2Cl"	69.938804
"1255088"	509.263585	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Br"	78.918885
"1316805"	511.319572	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Cl+HCOOH"	80.974872
"1335357"	533.301529	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Cl+NaCOOH"	102.956829
"923901"	543.330286	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M-H+CF3COOH"	112.985586
"1298422"	579.306964	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Cl+CF3COOH"	148.962264
"1380231"	395.332024	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H-2H2O"	-35.012676
"1397936"	413.342	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H-H2O"	-17.0027
"293777"	861.696676	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+H"	1.007276
"684011"	1292.041376	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+H"	1.007276
"1358174"	431.351976	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H"	1.007276
"133247"	431.351976	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+2H"	2.014552
"569892"	646.524326	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+2H"	2.014552
"1045985"	216.179626	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2H"	2.014552
"208782"	287.903742666667	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+3H"	3.021828
"654537"	431.351976	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+3H"	3.021828
"1170478"	144.455509333333	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+3H"	3.021828
"430470"	878.723223	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+NH4"	18.033823
"794746"	1309.067923	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+NH4"	18.033823
"1684881"	448.378523	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+NH4"	18.033823
"332065"	439.8652495	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+H+NH4"	19.041099
"727766"	655.0375995	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+H+NH4"	19.041099
"1480496"	224.6928995	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H+NH4"	19.041099
"397719"	883.678618	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+Na"	22.989218
"757620"	1314.023318	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+Na"	22.989218
"1604622"	453.333918	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Na"	22.989218
"315751"	442.342947	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+H+Na"	23.996494
"711457"	657.515297	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+H+Na"	23.996494
"1463089"	227.170597	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H+Na"	23.996494
"1053657"	151.782823333333	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2H+Na"	25.00377
"1257523"	463.378186	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+CH3OH+H"	33.033486
"379503"	899.652558	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+K"	38.963158
"740500"	1329.997258	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+K"	38.963158
"1542187"	469.307858	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+K"	38.963158
"314045"	450.329917	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+H+K"	39.970434
"703827"	665.502267	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+H+K"	39.970434
"1452910"	235.157567	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H+K"	39.970434
"249534"	902.723226	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+ACN+H"	42.033826
"1225449"	472.378526	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+ACN+H"	42.033826
"1199201"	236.692901	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+ACN+2H"	43.041102
"190249"	905.66056	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+2Na-H"	44.97116
"636006"	1336.00526	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+2Na-H"	44.97116
"1138418"	475.31586	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2Na-H"	44.97116
"183532"	453.333918	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+2Na"	45.978436
"624550"	668.506268	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+2Na"	45.978436
"1124776"	238.161568	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2Na"	45.978436
"1409391"	159.110137333333	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H+2Na"	46.985712
"1442236"	477.357446	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H+HCOOH"	47.012746
"223546"	458.36694	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+3H2O+2H"	56.04448
"1511610"	491.40949	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+IsoProp+H"	61.06479
"410566"	461.320888	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+Na+K"	61.952376
"771199"	676.493238	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+Na+K"	61.952376
"1668987"	246.148538	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Na+K"	61.952376
"260613"	924.705168	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+ACN+Na"	64.015768
"1230041"	494.360468	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+ACN+Na"	64.015768
"1716740"	494.383993	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+NH4+HCOOH"	64.039293
"1181002"	166.437451333333	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+3Na"	68.967654
"1663300"	499.339388	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Na+HCOOH"	68.994688
"169067"	937.60844	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+2K-H"	76.91904
"610812"	1367.95314	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+2K-H"	76.91904
"1094594"	507.26374	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2K-H"	76.91904
"152141"	469.307858	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"2M+2K"	77.926316
"592794"	684.480208	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"3M+2K"	77.926316
"1080223"	254.135508	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2K"	77.926316
"1107964"	509.278292	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2K+H"	78.933592
"1342161"	509.365907	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+DMSO+H"	79.021207
"1009597"	513.405076	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2ACN+H"	83.060376
"1528815"	514.398708	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+IsoProp+Na+H"	84.054008
"989924"	257.206176	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+2ACN+2H"	84.067652
"1587823"	515.313328	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+K+HCOOH"	84.968628
"1414696"	545.344838	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+H+CF3COOH"	115.000138
"1148994"	277.719451	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+3ACN+2H"	125.094202
"1700736"	562.371385	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+NH4+CF3COOH"	132.026685
"1636751"	567.32678	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+Na+CF3COOH"	136.98208
"1572040"	583.30072	"C04746"	"3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate"	"C28H46O3"	"430.3447"	"M+K+CF3COOH"	152.95602
"810064"	339.0468	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M"	0
"978128"	320.02841	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-H2O-H"	-19.01839
"65276"	225.023924	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M-3H"	-3.021828
"509212"	338.039524	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M-3H"	-3.021828
"882640"	112.008324	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-3H"	-3.021828
"6686"	338.039524	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M-2H"	-2.014552
"442964"	507.562924	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M-2H"	-2.014552
"817398"	168.516124	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-2H"	-2.014552
"79174"	677.086324	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M-H"	-1.007276
"526882"	1016.133124	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M-H"	-1.007276
"904684"	338.039524	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-H"	-1.007276
"62565"	694.112871	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M-2H+NH4"	16.019271
"502518"	1033.159671	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M-2H+NH4"	16.019271
"878982"	355.066071	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-2H+NH4"	16.019271
"44207"	699.068266	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M-2H+Na"	20.974666
"481700"	1038.115066	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M-2H+Na"	20.974666
"858771"	360.021466	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-2H+Na"	20.974666
"1630856"	360.021466	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Na-2H"	20.974666
"108479"	356.027863	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M-H+Cl"	33.962126
"549136"	525.551263	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M-H+Cl"	33.962126
"941072"	186.504463	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-H+Cl"	33.962126
"280485"	713.063002	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+Cl"	34.969402
"671812"	1052.109802	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+Cl"	34.969402
"1282028"	374.016202	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Cl"	34.969402
"21307"	715.042206	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M-2H+K"	36.948606
"461960"	1054.089006	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M-2H+K"	36.948606
"837572"	375.995406	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-2H+K"	36.948606
"1558875"	375.995406	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+K-2H"	36.948606
"948945"	384.044994	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-H+HCOOH"	44.998194
"367158"	723.091801	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+HCOOH-H"	44.998201
"356144"	737.107451	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+Hac-H"	59.013851
"1498780"	398.060651	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Hac-H"	59.013851
"964134"	406.026951	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-H+NaCOOH"	66.980151
"118511"	374.016202	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+2Cl"	69.938804
"561715"	543.539602	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+2Cl"	69.938804
"1036592"	204.492802	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2Cl"	69.938804
"1256786"	417.965685	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Br"	78.918885
"1319873"	420.021672	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Cl+HCOOH"	80.974872
"1334657"	442.003629	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Cl+NaCOOH"	102.956829
"918551"	452.032386	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M-H+CF3COOH"	112.985586
"1291981"	488.009064	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Cl+CF3COOH"	148.962264
"1369414"	304.034124	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H-2H2O"	-35.012676
"1385453"	322.0441	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H-H2O"	-17.0027
"288420"	679.100876	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+H"	1.007276
"687402"	1018.147676	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+H"	1.007276
"1363753"	340.054076	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H"	1.007276
"138825"	340.054076	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+2H"	2.014552
"575106"	509.577476	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+2H"	2.014552
"1047186"	170.530676	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2H"	2.014552
"208527"	227.038476	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+3H"	3.021828
"649180"	340.054076	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+3H"	3.021828
"1172776"	114.022876	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+3H"	3.021828
"431675"	696.127423	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+NH4"	18.033823
"791577"	1035.174223	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+NH4"	18.033823
"1686087"	357.080623	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+NH4"	18.033823
"332906"	348.5673495	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+H+NH4"	19.041099
"729705"	518.0907495	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+H+NH4"	19.041099
"1480241"	179.0439495	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H+NH4"	19.041099
"394176"	701.082818	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+Na"	22.989218
"757730"	1040.129618	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+Na"	22.989218
"1607286"	362.036018	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Na"	22.989218
"316962"	351.045047	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+H+Na"	23.996494
"711570"	520.568447	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+H+Na"	23.996494
"1467575"	181.521647	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H+Na"	23.996494
"1055353"	121.35019	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2H+Na"	25.00377
"1258488"	372.080286	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+CH3OH+H"	33.033486
"388739"	717.056758	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+K"	38.963158
"752656"	1056.103558	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+K"	38.963158
"1552884"	378.009958	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+K"	38.963158
"313588"	359.032017	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+H+K"	39.970434
"704304"	528.555417	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+H+K"	39.970434
"1460688"	189.508617	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H+K"	39.970434
"250864"	720.127426	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+ACN+H"	42.033826
"1225525"	381.080626	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+ACN+H"	42.033826
"1208062"	191.043951	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+ACN+2H"	43.041102
"202024"	723.06476	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+2Na-H"	44.97116
"642313"	1062.11156	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+2Na-H"	44.97116
"1143633"	384.01796	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2Na-H"	44.97116
"185464"	362.036018	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+2Na"	45.978436
"617005"	531.559418	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+2Na"	45.978436
"1127070"	192.512618	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2Na"	45.978436
"1410595"	128.677504	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H+2Na"	46.985712
"1435055"	386.059546	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H+HCOOH"	47.012746
"228033"	367.06904	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+3H2O+2H"	56.04448
"1516095"	400.11159	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+IsoProp+H"	61.06479
"411407"	370.022988	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+Na+K"	61.952376
"778965"	539.546388	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+Na+K"	61.952376
"1675298"	200.499588	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Na+K"	61.952376
"258535"	742.109368	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+ACN+Na"	64.015768
"1240735"	403.062568	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+ACN+Na"	64.015768
"1727802"	403.086093	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+NH4+HCOOH"	64.039293
"1187325"	136.004818	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+3Na"	68.967654
"1662682"	408.041488	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Na+HCOOH"	68.994688
"172095"	755.01264	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+2K-H"	76.91904
"609833"	1094.05944	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+2K-H"	76.91904
"1095439"	415.96584	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2K-H"	76.91904
"150795"	378.009958	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"2M+2K"	77.926316
"594365"	547.533358	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"3M+2K"	77.926316
"1077783"	208.486558	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2K"	77.926316
"1109534"	417.980392	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2K+H"	78.933592
"1341179"	418.068007	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+DMSO+H"	79.021207
"1012988"	422.107176	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2ACN+H"	83.060376
"1528924"	423.100808	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+IsoProp+Na+H"	84.054008
"995376"	211.557226	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+2ACN+2H"	84.067652
"1589881"	424.015428	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+K+HCOOH"	84.968628
"1417722"	454.046938	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+H+CF3COOH"	115.000138
"1150200"	232.070501	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+3ACN+2H"	125.094202
"1701940"	471.073485	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+NH4+CF3COOH"	132.026685
"1647438"	476.02888	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+Na+CF3COOH"	136.98208
"1579809"	492.00282	"C04751"	"1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole;5-Phosphoribosyl-5-amino-4-imidazolecarboxylate;1-(5-Phosphoribosyl)-4-carboxy-5-aminoimidazole;5-Phosphoribosyl-4-carboxy-5-aminoimidazole;5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate"	"C9H14N3O9P"	"339.0468"	"M+K+CF3COOH"	152.95602
"806894"	299.0072	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M"	0
"975319"	279.98881	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-H2O-H"	-19.01839
"63925"	198.330857333333	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M-3H"	-3.021828
"504220"	297.999924	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M-3H"	-3.021828
"880926"	98.6617906666667	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-3H"	-3.021828
"3515"	297.999924	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M-2H"	-2.014552
"441981"	447.503524	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M-2H"	-2.014552
"817957"	148.496324	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-2H"	-2.014552
"79284"	597.007124	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M-H"	-1.007276
"520795"	896.014324	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M-H"	-1.007276
"902607"	297.999924	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-H"	-1.007276
"62782"	614.033671	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M-2H+NH4"	16.019271
"501415"	913.040871	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M-2H+NH4"	16.019271
"878485"	315.026471	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-2H+NH4"	16.019271
"44438"	618.989066	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M-2H+Na"	20.974666
"483996"	917.996266	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M-2H+Na"	20.974666
"858516"	319.981866	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-2H+Na"	20.974666
"1631330"	319.981866	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Na-2H"	20.974666
"109077"	315.988263	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M-H+Cl"	33.962126
"549651"	465.491863	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M-H+Cl"	33.962126
"941182"	166.484663	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-H+Cl"	33.962126
"279867"	632.983802	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+Cl"	34.969402
"671922"	931.991002	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+Cl"	34.969402
"1281045"	333.976602	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Cl"	34.969402
"18137"	634.963006	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M-2H+K"	36.948606
"464257"	933.970206	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M-2H+K"	36.948606
"834405"	335.955806	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-2H+K"	36.948606
"1560078"	335.955806	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+K-2H"	36.948606
"949055"	344.005394	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-H+HCOOH"	44.998194
"365082"	643.012601	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+HCOOH-H"	44.998201
"352245"	657.028251	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+Hac-H"	59.013851
"1498890"	358.021051	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Hac-H"	59.013851
"960965"	365.987351	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-H+NaCOOH"	66.980151
"118621"	333.976602	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+2Cl"	69.938804
"562189"	483.480202	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+2Cl"	69.938804
"1036459"	184.473002	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2Cl"	69.938804
"1256530"	377.926085	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Br"	78.918885
"1319624"	379.982072	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Cl+HCOOH"	80.974872
"1335172"	401.964029	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Cl+NaCOOH"	102.956829
"917568"	411.992786	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M-H+CF3COOH"	112.985586
"1290632"	447.969464	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Cl+CF3COOH"	148.962264
"1369886"	263.994524	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H-2H2O"	-35.012676
"1384470"	282.0045	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H-H2O"	-17.0027
"288530"	599.021676	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+H"	1.007276
"684232"	898.028876	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+H"	1.007276
"1363861"	300.014476	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H"	1.007276
"138935"	300.014476	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+2H"	2.014552
"575216"	449.518076	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+2H"	2.014552
"1046202"	150.510876	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2H"	2.014552
"206814"	200.345409333333	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+3H"	3.021828
"646738"	300.014476	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+3H"	3.021828
"1167782"	100.676342666667	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+3H"	3.021828
"431784"	616.048223	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+NH4"	18.033823
"790957"	915.055423	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+NH4"	18.033823
"1682546"	317.041023	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+NH4"	18.033823
"330944"	308.5277495	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+H+NH4"	19.041099
"723367"	458.0313495	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+H+NH4"	19.041099
"1477153"	159.0241495	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H+NH4"	19.041099
"394285"	621.003618	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+Na"	22.989218
"755648"	920.010818	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+Na"	22.989218
"1605573"	321.996418	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Na"	22.989218
"319259"	311.005447	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+H+Na"	23.996494
"711680"	460.509047	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+H+Na"	23.996494
"1466592"	161.501847	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H+Na"	23.996494
"1055456"	108.003656666667	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2H+Na"	25.00377
"1258233"	332.040686	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+CH3OH+H"	33.033486
"388845"	636.977558	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+K"	38.963158
"752400"	935.984758	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+K"	38.963158
"1552630"	337.970358	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+K"	38.963158
"313455"	318.992417	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+H+K"	39.970434
"703322"	468.496017	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+H+K"	39.970434
"1460672"	169.488817	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H+K"	39.970434
"251096"	640.048226	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+ACN+H"	42.033826
"1224779"	341.041026	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+ACN+H"	42.033826
"1207807"	171.024151	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+ACN+2H"	43.041102
"202377"	642.98556	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+2Na-H"	44.97116
"642059"	941.99276	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+2Na-H"	44.97116
"1143743"	343.97836	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2Na-H"	44.97116
"188010"	321.996418	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+2Na"	45.978436
"620395"	471.500018	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+2Na"	45.978436
"1129003"	172.492818	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2Na"	45.978436
"1410705"	115.330970666667	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H+2Na"	46.985712
"1434072"	346.019946	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H+HCOOH"	47.012746
"231423"	327.02944	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+3H2O+2H"	56.04448
"1516205"	360.07199	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+IsoProp+H"	61.06479
"411517"	329.983388	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+Na+K"	61.952376
"779075"	479.486988	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+Na+K"	61.952376
"1676501"	180.479788	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Na+K"	61.952376
"258645"	662.030168	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+ACN+Na"	64.015768
"1240117"	363.022968	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+ACN+Na"	64.015768
"1727792"	363.046493	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+NH4+HCOOH"	64.039293
"1190349"	122.658284666667	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+3Na"	68.967654
"1663885"	368.001888	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Na+HCOOH"	68.994688
"170747"	674.93344	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+2K-H"	76.91904
"611400"	973.94064	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+2K-H"	76.91904
"1098464"	375.92624	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2K-H"	76.91904
"151634"	337.970358	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"2M+2K"	77.926316
"594110"	487.473958	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"3M+2K"	77.926316
"1077893"	188.466758	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2K"	77.926316
"1111467"	377.940792	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2K+H"	78.933592
"1338009"	378.028407	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+DMSO+H"	79.021207
"1010911"	382.067576	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2ACN+H"	83.060376
"1526848"	383.061208	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+IsoProp+Na+H"	84.054008
"994392"	191.537426	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+2ACN+2H"	84.067652
"1592177"	383.975828	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+K+HCOOH"	84.968628
"1417833"	414.007338	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+H+CF3COOH"	115.000138
"1150674"	212.050701	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+3ACN+2H"	125.094202
"1702050"	431.033885	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+NH4+CF3COOH"	132.026685
"1647548"	435.98928	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+Na+CF3COOH"	136.98208
"1579919"	451.96322	"C04752"	"4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate;4-Amino-5-diphosphooxymethyl-2-methylpyrimidine"	"C6H11N3O7P2"	"299.0072"	"M+K+CF3COOH"	152.95602
"807004"	350.2093	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M"	0
"976528"	331.19091	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"68778"	232.465590666667	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"507249"	349.202024	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"884319"	115.729157333333	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"3626"	349.202024	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"442093"	524.306674	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"818802"	174.097374	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"84264"	699.411324	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"520544"	1049.620624	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"910765"	349.202024	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"61726"	716.437871	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"502378"	1066.647171	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"879451"	366.228571	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"46129"	721.393266	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"484108"	1071.602566	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"860815"	371.183966	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1633271"	371.183966	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"109317"	367.190363	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"549248"	542.295013	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"942275"	192.085713	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"277426"	735.388002	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"672034"	1085.597302	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1277877"	385.178702	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"21527"	737.367206	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"463271"	1087.576506	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"843259"	387.157906	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1558001"	387.157906	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"944789"	395.207494	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"365191"	745.416801	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"348344"	759.432451	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1495719"	409.223151	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"966176"	417.189451	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"118000"	385.178702	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"559748"	560.283352	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1036694"	210.074052	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1256761"	429.128185	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1310215"	431.184172	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1322244"	453.166129	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"916221"	463.194886	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1292200"	499.171564	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1369633"	315.196624	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1386765"	333.2066	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"285724"	701.425876	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"679237"	1051.635176	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1357408"	351.216576	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"133579"	351.216576	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"576418"	526.321226	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1048498"	176.111926	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"207286"	234.480142666667	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"646482"	351.216576	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1168986"	117.743709333333	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"428613"	718.452423	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"786081"	1068.661723	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1682655"	368.243123	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"332027"	359.7298495	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"724813"	534.8344995	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1477173"	184.6251995	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"392849"	723.407818	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"754662"	1073.617118	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1605316"	373.198518	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"316811"	362.207547	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"708502"	537.312197	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1466703"	187.102897	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1055572"	125.071023333333	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1260534"	383.242786	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"383484"	739.381758	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"745575"	1089.591058	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1546538"	389.172458	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"306992"	370.194517	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"702696"	545.299167	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1454330"	195.089867	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"249134"	742.452426	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1223300"	392.243126	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1207188"	196.625201	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"202486"	745.38976	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"641441"	1095.59906	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1143120"	395.18046	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"183130"	373.198518	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"624877"	548.303168	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1127289"	198.093868	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1408625"	132.398337333333	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1439649"	397.222046	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"224608"	378.23154	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1517410"	411.27409	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"419283"	381.185488	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"782470"	556.290138	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1680272"	206.080838	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"265699"	764.434368	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1239864"	414.225068	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1727537"	414.248593	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1193503"	139.725651333333	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1664849"	419.203988	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"169033"	777.33764	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"608228"	1127.54694	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1096387"	427.12834	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"156118"	389.172458	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"595314"	564.277108	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1080919"	214.067808	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1108295"	429.142892	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1342492"	429.230507	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1011021"	433.269676	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1529147"	434.263308	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"995594"	217.138476	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1594473"	435.177928	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1420131"	465.209438	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1158083"	237.651751	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1701072"	482.235985	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1647662"	487.19138	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1580031"	503.16532	"C04758"	"(5Z13E)-9alpha-Hydroxy-1115-dioxoprosta-513-dienoate;15-Dehydro-prostaglandin D2"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"801688"	1199.4392	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M"	0
"978462"	1180.42081	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H2O-H"	-19.01839
"63787"	798.618857333333	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-3H"	-3.021828
"507359"	1198.431924	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-3H"	-3.021828
"885162"	398.805790666667	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-3H"	-3.021828
"5924"	1198.431924	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H"	-2.014552
"443295"	1798.151524	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H"	-2.014552
"822195"	598.712324	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H"	-2.014552
"93003"	2397.871124	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H"	-1.007276
"534240"	3597.310324	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H"	-1.007276
"910489"	1198.431924	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H"	-1.007276
"62438"	2414.897671	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+NH4"	16.019271
"501872"	3614.336871	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+NH4"	16.019271
"879312"	1215.458471	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+NH4"	16.019271
"46806"	2419.853066	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+Na"	20.974666
"485919"	3619.292266	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+Na"	20.974666
"864175"	1220.413866	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+Na"	20.974666
"1631560"	1220.413866	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na-2H"	20.974666
"108334"	1216.420263	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H+Cl"	33.962126
"548625"	1816.139863	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H+Cl"	33.962126
"934605"	616.700663	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+Cl"	33.962126
"277535"	2433.847802	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Cl"	34.969402
"671049"	3633.287002	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Cl"	34.969402
"1281268"	1234.408602	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl"	34.969402
"19450"	2435.827006	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+K"	36.948606
"462288"	3635.266206	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+K"	36.948606
"835716"	1236.387806	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+K"	36.948606
"1557017"	1236.387806	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K-2H"	36.948606
"947087"	1244.437394	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+HCOOH"	44.998194
"364208"	2443.876601	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+HCOOH-H"	44.998201
"347726"	2457.892251	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Hac-H"	59.013851
"1494734"	1258.453051	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Hac-H"	59.013851
"961182"	1266.419351	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+NaCOOH"	66.980151
"116651"	1234.408602	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Cl"	69.938804
"560952"	1834.128202	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Cl"	69.938804
"1036845"	634.689002	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Cl"	69.938804
"1245686"	1278.358085	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Br"	78.918885
"1311418"	1280.414072	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+HCOOH"	80.974872
"1322718"	1302.396029	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+NaCOOH"	102.956829
"915967"	1312.424786	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+CF3COOH"	112.985586
"1292675"	1348.401464	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+CF3COOH"	148.962264
"1373754"	1164.426524	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-2H2O"	-35.012676
"1389063"	1182.4365	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-H2O"	-17.0027
"288750"	2399.885676	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H"	1.007276
"682264"	3599.324876	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H"	1.007276
"1361892"	1200.446476	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H"	1.007276
"136969"	1200.446476	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2H"	2.014552
"580176"	1800.166076	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2H"	2.014552
"1046422"	600.726876	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H"	2.014552
"208126"	800.633409333333	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H"	3.021828
"649875"	1200.446476	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+3H"	3.021828
"1166541"	400.820342666667	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3H"	3.021828
"429453"	2416.912223	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+NH4"	18.033823
"786800"	3616.351423	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+NH4"	18.033823
"1682763"	1217.473023	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4"	18.033823
"331773"	1208.9597495	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+NH4"	19.041099
"723299"	1808.6793495	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+NH4"	19.041099
"1477282"	609.2401495	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+NH4"	19.041099
"394509"	2421.867618	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na"	22.989218
"754448"	3621.306818	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na"	22.989218
"1604338"	1222.428418	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na"	22.989218
"316198"	1211.437447	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+Na"	23.996494
"708614"	1811.157047	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+Na"	23.996494
"1466813"	611.717847	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+Na"	23.996494
"1057873"	408.147656666667	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H+Na"	25.00377
"1261739"	1232.472686	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+CH3OH+H"	33.033486
"384690"	2437.841558	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+K"	38.963158
"746780"	3637.280758	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+K"	38.963158
"1554303"	1238.402358	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K"	38.963158
"311114"	1219.424417	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+K"	39.970434
"701715"	1819.144017	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+K"	39.970434
"1458817"	619.704817	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+K"	39.970434
"249853"	2440.912226	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+H"	42.033826
"1224869"	1241.473026	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+H"	42.033826
"1209241"	621.240151	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+2H"	43.041102
"203936"	2443.84956	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na-H"	44.97116
"641912"	3643.28876	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na-H"	44.97116
"1143229"	1244.41036	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na-H"	44.97116
"183240"	1222.428418	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na"	45.978436
"626080"	1822.148018	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na"	45.978436
"1127398"	622.708818	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na"	45.978436
"1400594"	415.474970666667	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+2Na"	46.985712
"1432469"	1246.451946	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+HCOOH"	47.012746
"223260"	1227.46144	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H2O+2H"	56.04448
"1517521"	1260.50399	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+H"	61.06479
"419398"	1230.415388	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na+K"	61.952376
"782952"	1830.134988	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na+K"	61.952376
"1678923"	630.695788	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+K"	61.952376
"264717"	2462.894168	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+Na"	64.015768
"1238519"	1263.454968	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+Na"	64.015768
"1727160"	1263.478493	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+HCOOH"	64.039293
"1193243"	422.802284666667	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3Na"	68.967654
"1664834"	1268.433888	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+HCOOH"	68.994688
"170235"	2475.79744	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K-H"	76.91904
"610161"	3675.23664	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K-H"	76.91904
"1096862"	1276.35824	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K-H"	76.91904
"151122"	1238.402358	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K"	77.926316
"594695"	1838.121958	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K"	77.926316
"1075194"	638.682758	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K"	77.926316
"1102935"	1278.372792	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K+H"	78.933592
"1336284"	1278.460407	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+DMSO+H"	79.021207
"1008944"	1282.499576	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+H"	83.060376
"1525126"	1283.493208	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+Na+H"	84.054008
"991695"	641.753426	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+2H"	84.067652
"1588747"	1284.407828	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+HCOOH"	84.968628
"1419156"	1314.439338	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+CF3COOH"	115.000138
"1158922"	662.266701	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3ACN+2H"	125.094202
"1711028"	1331.465885	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+CF3COOH"	132.026685
"1647772"	1336.42128	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+CF3COOH"	136.98208
"1580141"	1352.39522	"C04760"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+CF3COOH"	152.95602
"801759"	488.1632	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M"	0
"975290"	469.14481	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-H2O-H"	-19.01839
"64628"	324.434857333333	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M-3H"	-3.021828
"508565"	487.155924	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M-3H"	-3.021828
"881992"	161.713790666667	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-3H"	-3.021828
"2754"	487.155924	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M-2H"	-2.014552
"452160"	731.237524	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M-2H"	-2.014552
"825587"	243.074324	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-2H"	-2.014552
"91047"	975.319124	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M-H"	-1.007276
"533412"	1463.482324	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M-H"	-1.007276
"910849"	487.155924	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-H"	-1.007276
"62830"	992.345671	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M-2H+NH4"	16.019271
"502775"	1480.508871	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M-2H+NH4"	16.019271
"879923"	504.182471	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-2H+NH4"	16.019271
"45503"	997.301066	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M-2H+Na"	20.974666
"486647"	1485.464266	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M-2H+Na"	20.974666
"864140"	509.137866	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-2H+Na"	20.974666
"1633910"	509.137866	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Na-2H"	20.974666
"108931"	505.144263	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M-H+Cl"	33.962126
"549465"	749.225863	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M-H+Cl"	33.962126
"941520"	261.062663	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-H+Cl"	33.962126
"280559"	1011.295802	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+Cl"	34.969402
"667878"	1499.459002	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+Cl"	34.969402
"1284655"	523.132602	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Cl"	34.969402
"16643"	1013.275006	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M-2H+K"	36.948606
"456484"	1501.438206	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M-2H+K"	36.948606
"838014"	525.111806	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-2H+K"	36.948606
"1559316"	525.111806	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+K-2H"	36.948606
"950479"	533.161394	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-H+HCOOH"	44.998194
"367600"	1021.324601	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+HCOOH-H"	44.998201
"350389"	1035.340251	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+Hac-H"	59.013851
"1494847"	547.177051	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Hac-H"	59.013851
"960201"	555.143351	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-H+NaCOOH"	66.980151
"120044"	523.132602	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+2Cl"	69.938804
"564831"	767.214202	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+2Cl"	69.938804
"1023305"	279.051002	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2Cl"	69.938804
"1244704"	567.082085	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Br"	78.918885
"1306060"	569.138072	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Cl+HCOOH"	80.974872
"1324654"	591.120029	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Cl+NaCOOH"	102.956829
"916807"	601.148786	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M-H+CF3COOH"	112.985586
"1289869"	637.125464	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Cl+CF3COOH"	148.962264
"1371677"	453.150524	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H-2H2O"	-35.012676
"1383257"	471.1605	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H-H2O"	-17.0027
"286673"	977.333676	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+H"	1.007276
"679094"	1465.496876	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+H"	1.007276
"1356536"	489.170476	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H"	1.007276
"130519"	489.170476	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+2H"	2.014552
"573358"	733.252076	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+2H"	2.014552
"1043252"	245.088876	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2H"	2.014552
"206776"	326.449409333333	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+3H"	3.021828
"646337"	489.170476	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+3H"	3.021828
"1166654"	163.728342666667	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+3H"	3.021828
"429927"	994.360223	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+NH4"	18.033823
"789099"	1482.523423	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+NH4"	18.033823
"1682024"	506.197023	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+NH4"	18.033823
"331518"	497.6837495	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+H+NH4"	19.041099
"722879"	741.7653495	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+H+NH4"	19.041099
"1478854"	253.6021495	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H+NH4"	19.041099
"394983"	999.315618	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+Na"	22.989218
"754560"	1487.478818	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+Na"	22.989218
"1604076"	511.152418	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Na"	22.989218
"316299"	500.161447	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+H+Na"	23.996494
"709448"	744.243047	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+H+Na"	23.996494
"1465833"	256.079847	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H+Na"	23.996494
"1056889"	171.055656666667	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2H+Na"	25.00377
"1259660"	521.196686	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+CH3OH+H"	33.033486
"381519"	1015.289558	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+K"	38.963158
"742515"	1503.452758	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+K"	38.963158
"1548944"	527.126358	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+K"	38.963158
"309401"	508.148417	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+H+K"	39.970434
"697452"	752.230017	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+H+K"	39.970434
"1457833"	264.066817	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H+K"	39.970434
"245340"	1018.360226	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+ACN+H"	42.033826
"1224736"	530.197026	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+ACN+H"	42.033826
"1206308"	265.602151	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+ACN+2H"	43.041102
"193715"	1021.29756	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+2Na-H"	44.97116
"637648"	1509.46076	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+2Na-H"	44.97116
"1145892"	533.13436	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2Na-H"	44.97116
"178976"	511.152418	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+2Na"	45.978436
"621816"	755.234018	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+2Na"	45.978436
"1124229"	267.070818	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2Na"	45.978436
"1402285"	178.382970666667	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H+2Na"	46.985712
"1433310"	535.175946	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H+HCOOH"	47.012746
"225557"	516.18544	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+3H2O+2H"	56.04448
"1520190"	549.22799	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+IsoProp+H"	61.06479
"416228"	519.139388	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+Na+K"	61.952376
"781233"	763.220988	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+Na+K"	61.952376
"1678300"	275.057788	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Na+K"	61.952376
"265191"	1040.342168	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+ACN+Na"	64.015768
"1239723"	552.178968	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+ACN+Na"	64.015768
"1726422"	552.202493	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+NH4+HCOOH"	64.039293
"1193232"	185.710284666667	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+3Na"	68.967654
"1663852"	557.157888	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Na+HCOOH"	68.994688
"172744"	1053.24544	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+2K-H"	76.91904
"612463"	1541.40864	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+2K-H"	76.91904
"1094417"	565.08224	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2K-H"	76.91904
"154880"	527.126358	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"2M+2K"	77.926316
"585325"	771.207958	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"3M+2K"	77.926316
"1077491"	283.044758	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2K"	77.926316
"1104141"	567.096792	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2K+H"	78.933592
"1338340"	567.184407	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+DMSO+H"	79.021207
"1006869"	571.223576	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2ACN+H"	83.060376
"1527181"	572.217208	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+IsoProp+Na+H"	84.054008
"992535"	286.115426	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+2ACN+2H"	84.067652
"1597982"	573.131828	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+K+HCOOH"	84.968628
"1424734"	603.163338	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+H+CF3COOH"	115.000138
"1158307"	306.628701	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+3ACN+2H"	125.094202
"1707859"	620.189885	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+NH4+CF3COOH"	132.026685
"1645694"	625.14528	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+Na+CF3COOH"	136.98208
"1580253"	641.11922	"C04767"	"O-(1-4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate;alpha-L-Dihydrostreptosyl-(1-4)-streptidine 6-phosphate"	"C14H29N6O11P"	"488.1632"	"M+K+CF3COOH"	152.95602
"802234"	198.0641	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M"	0
"989499"	179.04571	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-H2O-H"	-19.01839
"73489"	131.035457333333	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M-3H"	-3.021828
"508675"	197.056824	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M-3H"	-3.021828
"883197"	65.0140906666667	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-3H"	-3.021828
"1039"	197.056824	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M-2H"	-2.014552
"448988"	296.088874	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M-2H"	-2.014552
"830073"	98.024774	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-2H"	-2.014552
"91159"	395.120924	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M-H"	-1.007276
"534162"	593.185024	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M-H"	-1.007276
"910227"	197.056824	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-H"	-1.007276
"62505"	412.147471	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M-2H+NH4"	16.019271
"502670"	610.211571	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M-2H+NH4"	16.019271
"879458"	214.083371	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-2H+NH4"	16.019271
"44896"	417.102866	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M-2H+Na"	20.974666
"486521"	615.166966	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M-2H+Na"	20.974666
"863471"	219.038766	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-2H+Na"	20.974666
"1633489"	219.038766	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Na-2H"	20.974666
"108312"	215.045163	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M-H+Cl"	33.962126
"546776"	314.077213	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M-H+Cl"	33.962126
"940656"	116.013113	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-H+Cl"	33.962126
"274475"	431.097602	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+Cl"	34.969402
"671270"	629.161702	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+Cl"	34.969402
"1273466"	233.033502	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Cl"	34.969402
"18576"	433.076806	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M-2H+K"	36.948606
"456798"	631.140906	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M-2H+K"	36.948606
"834843"	235.012706	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-2H+K"	36.948606
"1557237"	235.012706	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+K-2H"	36.948606
"943176"	243.062294	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-H+HCOOH"	44.998194
"364429"	441.126401	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+HCOOH-H"	44.998201
"347218"	455.142051	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+Hac-H"	59.013851
"1493861"	257.077951	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Hac-H"	59.013851
"964683"	265.044251	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-H+NaCOOH"	66.980151
"117965"	233.033502	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+2Cl"	69.938804
"556440"	332.065552	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+2Cl"	69.938804
"1028520"	134.001452	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2Cl"	69.938804
"1249192"	276.982985	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Br"	78.918885
"1311643"	279.038972	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Cl+HCOOH"	80.974872
"1326953"	301.020929	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Cl+NaCOOH"	102.956829
"920198"	311.049686	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M-H+CF3COOH"	112.985586
"1293626"	347.026364	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Cl+CF3COOH"	148.962264
"1367776"	163.051424	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H-2H2O"	-35.012676
"1383082"	181.0614	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H-H2O"	-17.0027
"283497"	397.135476	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+H"	1.007276
"676649"	595.199576	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+H"	1.007276
"1354091"	199.071376	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H"	1.007276
"129168"	199.071376	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+2H"	2.014552
"567635"	298.103426	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+2H"	2.014552
"1044454"	100.039326	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2H"	2.014552
"206885"	133.050009333333	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+3H"	3.021828
"649732"	199.071376	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+3H"	3.021828
"1167493"	67.0286426666667	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+3H"	3.021828
"427484"	414.162023	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+NH4"	18.033823
"790665"	612.226123	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+NH4"	18.033823
"1682376"	216.097923	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+NH4"	18.033823
"333087"	207.5846495	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+H+NH4"	19.041099
"724778"	306.6166995	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+H+NH4"	19.041099
"1479328"	108.5525995	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H+NH4"	19.041099
"395457"	419.117418	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+Na"	22.989218
"755724"	617.181518	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+Na"	22.989218
"1604672"	221.053318	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Na"	22.989218
"318963"	210.062347	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+H+Na"	23.996494
"708841"	309.094397	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+H+Na"	23.996494
"1465942"	111.030297	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H+Na"	23.996494
"1054566"	74.3559566666667	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2H+Na"	25.00377
"1265243"	231.097586	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+CH3OH+H"	33.033486
"382725"	435.091358	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+K"	38.963158
"742627"	633.155458	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+K"	38.963158
"1545772"	237.027258	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+K"	38.963158
"307329"	218.049317	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+H+K"	39.970434
"704855"	317.081367	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+H+K"	39.970434
"1455757"	119.017267	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H+K"	39.970434
"249099"	438.162026	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+ACN+H"	42.033826
"1219257"	240.097926	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+ACN+H"	42.033826
"1202044"	120.552601	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+ACN+2H"	43.041102
"190544"	441.09936	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+2Na-H"	44.97116
"632652"	639.16346	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+2Na-H"	44.97116
"1137983"	243.03526	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2Na-H"	44.97116
"183459"	221.053318	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+2Na"	45.978436
"617189"	320.085368	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+2Na"	45.978436
"1124337"	122.021268	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2Na"	45.978436
"1407869"	81.6832706666667	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H+2Na"	46.985712
"1439986"	245.076846	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H+HCOOH"	47.012746
"232602"	226.08634	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+3H2O+2H"	56.04448
"1520665"	259.12889	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+IsoProp+H"	61.06479
"421079"	229.040288	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+Na+K"	61.952376
"782443"	328.072338	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+Na+K"	61.952376
"1678408"	130.008238	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Na+K"	61.952376
"264567"	460.143968	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+ACN+Na"	64.015768
"1239950"	262.079868	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+ACN+Na"	64.015768
"1725795"	262.103393	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+NH4+HCOOH"	64.039293
"1191879"	89.0105846666667	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+3Na"	68.967654
"1663717"	267.058788	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Na+HCOOH"	68.994688
"170090"	473.04724	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+2K-H"	76.91904
"603455"	671.11134	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+2K-H"	76.91904
"1093435"	274.98314	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2K-H"	76.91904
"151344"	237.027258	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"2M+2K"	77.926316
"585435"	336.059308	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"3M+2K"	77.926316
"1071041"	137.995208	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2K"	77.926316
"1103159"	276.997692	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2K+H"	78.933592
"1339542"	277.085307	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+DMSO+H"	79.021207
"1006979"	281.124476	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2ACN+H"	83.060376
"1525467"	282.118108	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+IsoProp+Na+H"	84.054008
"1004687"	141.065876	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+2ACN+2H"	84.067652
"1600280"	283.032728	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+K+HCOOH"	84.968628
"1426672"	313.064238	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+H+CF3COOH"	115.000138
"1158417"	161.579151	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+3ACN+2H"	125.094202
"1707967"	330.090785	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+NH4+CF3COOH"	132.026685
"1639246"	335.04618	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+Na+CF3COOH"	136.98208
"1583644"	351.02012	"C04771"	"L-Mimosine;Leucenol;(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate"	"C8H10N2O4"	"198.0641"	"M+K+CF3COOH"	152.95602
"801533"	183.0532	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M"	0
"988881"	164.03481	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H2O-H"	-19.01839
"73599"	121.028190666667	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-3H"	-3.021828
"508785"	182.045924	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-3H"	-3.021828
"883308"	60.0104573333333	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-3H"	-3.021828
"6258"	182.045924	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H"	-2.014552
"452382"	273.572524	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H"	-2.014552
"831895"	90.519324	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H"	-2.014552
"93220"	365.099124	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-H"	-1.007276
"532901"	548.152324	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-H"	-1.007276
"910464"	182.045924	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H"	-1.007276
"62411"	382.125671	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H+NH4"	16.019271
"502295"	565.178871	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H+NH4"	16.019271
"878315"	199.072471	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H+NH4"	16.019271
"43907"	387.081066	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H+Na"	20.974666
"483101"	570.134266	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H+Na"	20.974666
"861631"	204.027866	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H+Na"	20.974666
"1629704"	204.027866	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na-2H"	20.974666
"107325"	200.034263	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-H+Cl"	33.962126
"544699"	291.560863	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-H+Cl"	33.962126
"930562"	108.507663	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+Cl"	33.962126
"268267"	401.075802	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Cl"	34.969402
"660805"	584.129002	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+Cl"	34.969402
"1273048"	218.022602	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl"	34.969402
"16616"	403.055006	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M-2H+K"	36.948606
"456176"	586.108206	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M-2H+K"	36.948606
"833018"	220.001806	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-2H+K"	36.948606
"1555709"	220.001806	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K-2H"	36.948606
"943160"	228.051394	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+HCOOH"	44.998194
"361657"	411.104601	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+HCOOH-H"	44.998201
"346111"	425.120251	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Hac-H"	59.013851
"1493602"	242.067051	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Hac-H"	59.013851
"958958"	250.033351	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+NaCOOH"	66.980151
"122825"	218.022602	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2Cl"	69.938804
"557644"	309.549202	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2Cl"	69.938804
"1031912"	126.496002	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2Cl"	69.938804
"1246025"	261.972085	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Br"	78.918885
"1308473"	264.028072	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl+HCOOH"	80.974872
"1321229"	286.010029	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl+NaCOOH"	102.956829
"912406"	296.038786	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M-H+CF3COOH"	112.985586
"1291181"	332.015464	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Cl+CF3COOH"	148.962264
"1367092"	148.040524	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H-2H2O"	-35.012676
"1382757"	166.0505	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H-H2O"	-17.0027
"286163"	367.113676	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H"	1.007276
"675710"	550.166876	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H"	1.007276
"1355667"	184.060476	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H"	1.007276
"127458"	184.060476	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2H"	2.014552
"566651"	275.587076	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2H"	2.014552
"1037882"	92.533876	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2H"	2.014552
"212473"	123.042742666667	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+3H"	3.021828
"650939"	184.060476	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+3H"	3.021828
"1164688"	62.0250093333333	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+3H"	3.021828
"424676"	384.140223	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+NH4"	18.033823
"786643"	567.193423	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+NH4"	18.033823
"1682001"	201.087023	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+NH4"	18.033823
"330003"	192.5737495	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H+NH4"	19.041099
"723429"	284.1003495	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H+NH4"	19.041099
"1478708"	101.0471495	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+NH4"	19.041099
"394474"	389.095618	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Na"	22.989218
"754983"	572.148818	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+Na"	22.989218
"1606488"	206.042418	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na"	22.989218
"316531"	195.051447	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H+Na"	23.996494
"707735"	286.578047	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H+Na"	23.996494
"1463867"	103.524847	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+Na"	23.996494
"1059300"	69.3523233333333	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2H+Na"	25.00377
"1262073"	216.086686	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+CH3OH+H"	33.033486
"383929"	405.069558	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+K"	38.963158
"750758"	588.122758	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+K"	38.963158
"1550262"	222.016358	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K"	38.963158
"309625"	203.038417	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+H+K"	39.970434
"704234"	294.565017	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+H+K"	39.970434
"1458783"	111.511817	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+K"	39.970434
"243379"	408.140226	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+ACN+H"	42.033826
"1214993"	225.087026	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+ACN+H"	42.033826
"1198878"	113.047151	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+ACN+2H"	43.041102
"191745"	411.07756	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2Na-H"	44.97116
"634221"	594.13076	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2Na-H"	44.97116
"1139186"	228.02436	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2Na-H"	44.97116
"187095"	206.042418	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2Na"	45.978436
"623128"	297.569018	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2Na"	45.978436
"1123355"	114.515818	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2Na"	45.978436
"1403238"	76.6796373333333	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+2Na"	46.985712
"1434630"	230.065946	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+HCOOH"	47.012746
"231982"	211.07544	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+3H2O+2H"	56.04448
"1514577"	244.11799	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+IsoProp+H"	61.06479
"421196"	214.029388	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+Na+K"	61.952376
"783281"	305.555988	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+Na+K"	61.952376
"1676697"	122.502788	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na+K"	61.952376
"261758"	430.122168	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+ACN+Na"	64.015768
"1234831"	247.068968	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+ACN+Na"	64.015768
"1720802"	247.092493	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+NH4+HCOOH"	64.039293
"1186158"	84.0069513333333	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+3Na"	68.967654
"1660423"	252.047888	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na+HCOOH"	68.994688
"167284"	443.02544	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2K-H"	76.91904
"606844"	626.07864	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2K-H"	76.91904
"1093544"	259.97224	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2K-H"	76.91904
"152181"	222.016358	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"2M+2K"	77.926316
"589919"	313.542958	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"3M+2K"	77.926316
"1070058"	130.489758	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2K"	77.926316
"1100060"	261.986792	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2K+H"	78.933592
"1338559"	262.074407	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+DMSO+H"	79.021207
"1006359"	266.113576	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2ACN+H"	83.060376
"1539690"	267.107208	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+IsoProp+Na+H"	84.054008
"1003701"	133.560426	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+2ACN+2H"	84.067652
"1599298"	268.021828	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K+HCOOH"	84.968628
"1420584"	298.053338	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+H+CF3COOH"	115.000138
"1159620"	154.073701	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+3ACN+2H"	125.094202
"1697099"	315.079885	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+NH4+CF3COOH"	132.026685
"1639356"	320.03528	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+Na+CF3COOH"	136.98208
"1571847"	336.00922	"C04773"	"3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate;5-Pyridoxate;5-Pyridoxic acid"	"C8H9NO4"	"183.0532"	"M+K+CF3COOH"	152.95602
"802457"	358.093	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M"	0
"975627"	339.07461	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-H2O-H"	-19.01839
"66054"	237.721390666667	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M-3H"	-3.021828
"508897"	357.085724	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M-3H"	-3.021828
"885609"	118.357057333333	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-3H"	-3.021828
"9652"	357.085724	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M-2H"	-2.014552
"455296"	536.132224	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M-2H"	-2.014552
"832667"	178.039224	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-2H"	-2.014552
"93936"	715.178724	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M-H"	-1.007276
"533739"	1073.271724	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M-H"	-1.007276
"910578"	357.085724	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-H"	-1.007276
"60576"	732.205271	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M-2H+NH4"	16.019271
"501228"	1090.298271	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M-2H+NH4"	16.019271
"878300"	374.112271	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-2H+NH4"	16.019271
"42923"	737.160666	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M-2H+Na"	20.974666
"480296"	1095.253666	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M-2H+Na"	20.974666
"861739"	379.067666	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-2H+Na"	20.974666
"1629813"	379.067666	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Na-2H"	20.974666
"105248"	375.074063	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M-H+Cl"	33.962126
"544807"	554.120563	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M-H+Cl"	33.962126
"932859"	196.027563	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-H+Cl"	33.962126
"268500"	751.155402	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+Cl"	34.969402
"664931"	1109.248402	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+Cl"	34.969402
"1278428"	393.062402	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Cl"	34.969402
"16972"	753.134606	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M-2H+K"	36.948606
"456770"	1111.227606	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M-2H+K"	36.948606
"833845"	395.041606	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-2H+K"	36.948606
"1556193"	395.041606	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+K-2H"	36.948606
"943753"	403.091194	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-H+HCOOH"	44.998194
"364642"	761.184201	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+HCOOH-H"	44.998201
"346823"	775.199851	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+Hac-H"	59.013851
"1499557"	417.106851	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Hac-H"	59.013851
"969288"	425.073151	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-H+NaCOOH"	66.980151
"125410"	393.062402	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+2Cl"	69.938804
"562131"	572.108902	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+2Cl"	69.938804
"1025465"	214.015902	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2Cl"	69.938804
"1247230"	437.011885	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Br"	78.918885
"1309678"	439.067872	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Cl+HCOOH"	80.974872
"1320611"	461.049829	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Cl+NaCOOH"	102.956829
"913855"	471.078586	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M-H+CF3COOH"	112.985586
"1289591"	507.055264	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Cl+CF3COOH"	148.962264
"1367995"	323.080324	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H-2H2O"	-35.012676
"1383100"	341.0903	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H-H2O"	-17.0027
"285909"	717.193276	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+H"	1.007276
"679425"	1075.286276	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+H"	1.007276
"1360150"	359.100276	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H"	1.007276
"128663"	359.100276	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+2H"	2.014552
"566398"	538.146776	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+2H"	2.014552
"1044681"	180.053776	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2H"	2.014552
"208571"	239.735942666667	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+3H"	3.021828
"648860"	359.100276	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+3H"	3.021828
"1164069"	120.371609333333	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+3H"	3.021828
"425635"	734.219823	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+NH4"	18.033823
"787238"	1092.312823	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+NH4"	18.033823
"1681989"	376.126823	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+NH4"	18.033823
"330028"	367.6135495	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+H+NH4"	19.041099
"723296"	546.6600495	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+H+NH4"	19.041099
"1479547"	188.5670495	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H+NH4"	19.041099
"394583"	739.175218	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+Na"	22.989218
"759601"	1097.268218	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+Na"	22.989218
"1608793"	381.082218	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Na"	22.989218
"319921"	370.091247	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+H+Na"	23.996494
"714531"	549.137747	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+H+Na"	23.996494
"1469445"	191.044747	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H+Na"	23.996494
"1055399"	127.698923333333	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2H+Na"	25.00377
"1265464"	391.126486	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+CH3OH+H"	33.033486
"392064"	755.149158	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+K"	38.963158
"753788"	1113.242158	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+K"	38.963158
"1553287"	397.056158	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+K"	38.963158
"313015"	378.078217	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+H+K"	39.970434
"701063"	557.124717	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+H+K"	39.970434
"1459259"	199.031717	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H+K"	39.970434
"248590"	758.219826	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+ACN+H"	42.033826
"1218381"	400.126826	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+ACN+H"	42.033826
"1204450"	200.567051	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+ACN+2H"	43.041102
"196228"	761.15716	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+2Na-H"	44.97116
"636883"	1119.25016	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+2Na-H"	44.97116
"1138201"	403.06416	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2Na-H"	44.97116
"180397"	381.082218	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+2Na"	45.978436
"619967"	560.128718	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+2Na"	45.978436
"1121284"	202.035718	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2Na"	45.978436
"1410284"	135.026237333333	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H+2Na"	46.985712
"1443127"	405.105746	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H+HCOOH"	47.012746
"234404"	386.11524	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+3H2O+2H"	56.04448
"1520891"	419.15779	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+IsoProp+H"	61.06479
"419846"	389.069188	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+Na+K"	61.952376
"783028"	568.115688	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+Na+K"	61.952376
"1674985"	210.022688	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Na+K"	61.952376
"259316"	780.201768	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+ACN+Na"	64.015768
"1236399"	422.108768	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+ACN+Na"	64.015768
"1723098"	422.132293	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+NH4+HCOOH"	64.039293
"1186266"	142.353551333333	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+3Na"	68.967654
"1661626"	427.087688	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Na+HCOOH"	68.994688
"168122"	793.10504	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+2K-H"	76.91904
"608048"	1151.19804	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+2K-H"	76.91904
"1095841"	435.01204	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2K-H"	76.91904
"149375"	397.056158	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"2M+2K"	77.926316
"593309"	576.102658	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"3M+2K"	77.926316
"1069317"	218.009658	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2K"	77.926316
"1100333"	437.026592	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2K+H"	78.933592
"1344143"	437.114207	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+DMSO+H"	79.021207
"1020825"	441.153376	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2ACN+H"	83.060376
"1539802"	442.147008	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+IsoProp+Na+H"	84.054008
"1003690"	221.080326	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+2ACN+2H"	84.067652
"1598315"	443.061628	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+K+HCOOH"	84.968628
"1416320"	473.093138	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+H+CF3COOH"	115.000138
"1154263"	241.593601	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+3ACN+2H"	125.094202
"1701628"	490.119685	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+NH4+CF3COOH"	132.026685
"1636186"	495.07508	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+Na+CF3COOH"	136.98208
"1580587"	511.04902	"C04778"	"N1-(5-Phospho-alpha-D-ribosyl)-56-dimethylbenzimidazole;alpha-Ribazole 5-phosphate"	"C14H19N2O7P"	"358.093"	"M+K+CF3COOH"	152.95602
"802932"	294.2195	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M"	0
"977193"	275.20111	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"63981"	195.139057333333	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"505726"	293.212224	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"883528"	97.0658906666666	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"4294"	293.212224	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"452605"	440.321974	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"829312"	146.102474	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"93193"	587.431724	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"532635"	881.651224	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"911085"	293.212224	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"62589"	604.458271	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"500609"	898.677771	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"877319"	310.238771	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"46636"	609.413666	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"485749"	903.633166	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"861483"	315.194166	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1631018"	315.194166	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"107545"	311.200563	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"544920"	458.310313	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"933330"	164.090813	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"276991"	623.408402	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"662484"	917.627902	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1275980"	329.188902	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"18296"	625.387606	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"458827"	919.607106	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"835537"	331.168106	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1557565"	331.168106	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"945451"	339.217694	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"361958"	633.437201	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"349010"	647.452851	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1506960"	353.233351	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"968303"	361.199651	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"123773"	329.188902	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"558961"	476.298652	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1028854"	182.079152	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1248434"	373.138385	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1309788"	375.194372	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1326191"	397.176329	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"920528"	407.205086	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1290674"	443.181764	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1370293"	259.206824	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1388522"	277.2168	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"285654"	589.446276	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"679899"	883.665776	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1360263"	295.226776	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"130963"	295.226776	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"575993"	442.336526	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1039685"	148.117026	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"209413"	197.153609333333	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"645810"	295.226776	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1164909"	99.0804426666667	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"425625"	606.472823	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"787351"	900.692323	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1683073"	312.253323	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"331961"	303.7400495	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"725110"	450.8497995	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1477832"	156.6302995	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"404179"	611.428218	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"766273"	905.647718	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1608903"	317.208718	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"321128"	306.217747	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"716828"	453.327497	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1466275"	159.107997	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1064989"	106.407756666667	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1272739"	327.252986	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"392713"	627.402158	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"753910"	921.621658	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1555446"	333.182658	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"314236"	314.204717	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"704458"	461.314467	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1457184"	167.094967	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"244693"	630.472826	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1214485"	336.253326	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1198006"	168.630301	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"193061"	633.41016	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"635899"	927.62966	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1136856"	339.19066	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"183801"	317.208718	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"624457"	464.318468	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1125779"	170.098968	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1411490"	113.735070666667	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1441419"	341.232246	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"232211"	322.24174	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1522460"	355.28429	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"419956"	325.195688	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"782043"	472.305438	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1679836"	178.085938	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"261617"	652.454768	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1234325"	358.235268	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1722116"	358.258793	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1188563"	121.062384666667	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1661737"	363.214188	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"168599"	665.35804	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"608160"	959.57754	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1097044"	371.13854	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"149487"	333.182658	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"587954"	480.292408	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1070158"	186.072908	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1106775"	373.153092	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1342069"	373.240707	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1012786"	377.279876	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1536380"	378.273508	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"1004288"	189.143576	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1589677"	379.188128	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1416793"	409.219638	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1147445"	209.656851	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1705021"	426.246185	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1646141"	431.20158	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1580698"	447.17552	"C04780"	"8-(1R2R)-3-Oxo-2-(Z)-pent-2-enylcyclopentyloctanoate;OPC-8:0"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"804501"	200.0321	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M"	0
"986415"	181.01371	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H2O-H"	-19.01839
"67371"	132.347457333333	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-3H"	-3.021828
"505836"	199.024824	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-3H"	-3.021828
"884732"	65.6700906666667	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-3H"	-3.021828
"6591"	199.024824	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H"	-2.014552
"453809"	299.040874	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H"	-2.014552
"828329"	99.008774	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H"	-2.014552
"90507"	399.056924	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-H"	-1.007276
"532257"	599.089024	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-H"	-1.007276
"910058"	199.024824	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H"	-1.007276
"62647"	416.083471	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H+NH4"	16.019271
"501452"	616.115571	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H+NH4"	16.019271
"879540"	216.051371	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H+NH4"	16.019271
"46063"	421.038866	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H+Na"	20.974666
"485984"	621.070966	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H+Na"	20.974666
"860504"	221.006766	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H+Na"	20.974666
"1627850"	221.006766	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na-2H"	20.974666
"105470"	217.013163	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-H+Cl"	33.962126
"542845"	317.029213	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-H+Cl"	33.962126
"937451"	116.997113	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+Cl"	33.962126
"277101"	435.033602	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Cl"	34.969402
"665150"	635.065702	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+Cl"	34.969402
"1281927"	235.001502	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl"	34.969402
"17922"	437.012806	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H+K"	36.948606
"457239"	637.044906	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H+K"	36.948606
"834192"	236.980706	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H+K"	36.948606
"1557680"	236.980706	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K-2H"	36.948606
"943738"	245.030294	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+HCOOH"	44.998194
"361501"	445.062401	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+HCOOH-H"	44.998201
"358969"	459.078051	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Hac-H"	59.013851
"1503791"	259.045951	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Hac-H"	59.013851
"972426"	267.012251	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+NaCOOH"	66.980151
"122791"	235.001502	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2Cl"	69.938804
"560166"	335.017552	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2Cl"	69.938804
"1036585"	134.985452	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2Cl"	69.938804
"1256199"	278.950985	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Br"	78.918885
"1310992"	281.006972	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl+HCOOH"	80.974872
"1328490"	302.988929	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl+NaCOOH"	102.956829
"922465"	313.017686	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+CF3COOH"	112.985586
"1296255"	348.994364	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl+CF3COOH"	148.962264
"1375511"	165.019424	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H-2H2O"	-35.012676
"1391913"	183.0294	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H-H2O"	-17.0027
"286130"	401.071476	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H"	1.007276
"678916"	601.103576	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H"	1.007276
"1364383"	201.039376	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H"	1.007276
"134354"	201.039376	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2H"	2.014552
"577196"	301.055426	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2H"	2.014552
"1040529"	101.023326	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2H"	2.014552
"209523"	134.362009333333	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+3H"	3.021828
"649083"	201.039376	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+3H"	3.021828
"1166113"	67.6846426666667	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+3H"	3.021828
"424645"	418.098023	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+NH4"	18.033823
"787096"	618.130123	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+NH4"	18.033823
"1682337"	218.065923	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+NH4"	18.033823
"331705"	209.5526495	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H+NH4"	19.041099
"723518"	309.5686995	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H+NH4"	19.041099
"1478671"	109.5365995	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+NH4"	19.041099
"405024"	423.053418	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Na"	22.989218
"764925"	623.085518	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+Na"	22.989218
"1611202"	223.021318	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na"	22.989218
"322333"	212.030347	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H+Na"	23.996494
"714754"	312.046397	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H+Na"	23.996494
"1472951"	112.014297	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+Na"	23.996494
"1063280"	75.0119566666667	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2H+Na"	25.00377
"1271901"	233.065586	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+CH3OH+H"	33.033486
"392179"	439.027358	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+K"	38.963158
"754122"	639.059458	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+K"	38.963158
"1555403"	238.995258	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K"	38.963158
"314211"	220.017317	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H+K"	39.970434
"701286"	320.033367	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H+K"	39.970434
"1454015"	120.001267	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+K"	39.970434
"240428"	442.098026	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+ACN+H"	42.033826
"1214231"	242.065926	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+ACN+H"	42.033826
"1200303"	121.536601	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+ACN+2H"	43.041102
"193535"	445.03536	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2Na-H"	44.97116
"632005"	645.06746	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2Na-H"	44.97116
"1138427"	245.00326	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2Na-H"	44.97116
"182818"	223.021318	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2Na"	45.978436
"625660"	323.037368	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2Na"	45.978436
"1130152"	123.005268	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2Na"	45.978436
"1412333"	82.3392706666667	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+2Na"	46.985712
"1443720"	247.044846	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+HCOOH"	47.012746
"235236"	228.05434	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+3H2O+2H"	56.04448
"1522937"	261.09689	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+IsoProp+H"	61.06479
"424190"	231.008288	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Na+K"	61.952376
"784951"	331.024338	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+Na+K"	61.952376
"1680919"	130.992238	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na+K"	61.952376
"266955"	464.079968	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+ACN+Na"	64.015768
"1237716"	264.047868	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+ACN+Na"	64.015768
"1722228"	264.071393	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+NH4+HCOOH"	64.039293
"1189769"	89.6665846666667	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+3Na"	68.967654
"1659661"	269.026788	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na+HCOOH"	68.994688
"170896"	476.98324	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2K-H"	76.91904
"604989"	677.01534	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2K-H"	76.91904
"1093877"	276.95114	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2K-H"	76.91904
"148506"	238.995258	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2K"	77.926316
"593534"	339.011308	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2K"	77.926316
"1075861"	138.979208	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2K"	77.926316
"1106886"	278.965692	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2K+H"	78.933592
"1348740"	279.053307	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+DMSO+H"	79.021207
"1016176"	283.092476	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2ACN+H"	83.060376
"1537583"	284.086108	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+IsoProp+Na+H"	84.054008
"1004398"	142.049876	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2ACN+2H"	84.067652
"1590881"	285.000728	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K+HCOOH"	84.968628
"1418726"	315.032238	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+CF3COOH"	115.000138
"1147920"	162.563151	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+3ACN+2H"	125.094202
"1697351"	332.058785	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+NH4+CF3COOH"	132.026685
"1646251"	337.01418	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na+CF3COOH"	136.98208
"1580808"	352.98812	"C04783"	"cis-45-Dihydroxycyclohexa-1(6)2-diene-12-dicarboxylate;Phthalate-45-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K+CF3COOH"	152.95602
"804611"	310.2144	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M"	0
"984702"	291.19601	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-H2O-H"	-19.01839
"66384"	205.802324	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M-3H"	-3.021828
"508131"	309.207124	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M-3H"	-3.021828
"881923"	102.397524	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-3H"	-3.021828
"1229"	309.207124	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M-2H"	-2.014552
"440665"	464.314324	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M-2H"	-2.014552
"827344"	154.099924	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-2H"	-2.014552
"84055"	619.421524	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M-H"	-1.007276
"531270"	929.635924	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M-H"	-1.007276
"910777"	309.207124	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-H"	-1.007276
"62116"	636.448071	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M-2H+NH4"	16.019271
"502375"	946.662471	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M-2H+NH4"	16.019271
"879529"	326.233671	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-2H+NH4"	16.019271
"46535"	641.403466	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M-2H+Na"	20.974666
"486582"	951.617866	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M-2H+Na"	20.974666
"862800"	331.189066	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-2H+Na"	20.974666
"1631239"	331.189066	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Na-2H"	20.974666
"105580"	327.195463	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M-H+Cl"	33.962126
"547325"	482.302663	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M-H+Cl"	33.962126
"937560"	172.088263	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-H+Cl"	33.962126
"272836"	655.398202	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+Cl"	34.969402
"668538"	965.612602	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+Cl"	34.969402
"1275476"	345.183802	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Cl"	34.969402
"16573"	657.377406	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M-2H+K"	36.948606
"456983"	967.591806	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M-2H+K"	36.948606
"833080"	347.163006	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-2H+K"	36.948606
"1557790"	347.163006	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+K-2H"	36.948606
"946764"	355.212594	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-H+HCOOH"	44.998194
"361934"	665.427001	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+HCOOH-H"	44.998201
"357983"	679.442651	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+Hac-H"	59.013851
"1505358"	369.228251	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Hac-H"	59.013851
"972415"	377.194551	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-H+NaCOOH"	66.980151
"122901"	345.183802	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+2Cl"	69.938804
"560276"	500.291002	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+2Cl"	69.938804
"1034182"	190.076602	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2Cl"	69.938804
"1253030"	389.133285	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Br"	78.918885
"1313289"	391.189272	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Cl+HCOOH"	80.974872
"1330786"	413.171229	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Cl+NaCOOH"	102.956829
"922939"	423.199986	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M-H+CF3COOH"	112.985586
"1294178"	459.176664	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Cl+CF3COOH"	148.962264
"1375621"	275.201724	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H-2H2O"	-35.012676
"1388743"	293.2117	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H-H2O"	-17.0027
"284053"	621.436076	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+H"	1.007276
"678662"	931.650476	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+H"	1.007276
"1357200"	311.221676	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H"	1.007276
"132276"	311.221676	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+2H"	2.014552
"571837"	466.328876	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+2H"	2.014552
"1040639"	156.114476	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2H"	2.014552
"207809"	207.816876	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+3H"	3.021828
"647370"	311.221676	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+3H"	3.021828
"1166225"	104.412076	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+3H"	3.021828
"427307"	638.462623	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+NH4"	18.033823
"786478"	948.677023	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+NH4"	18.033823
"1683173"	328.248223	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+NH4"	18.033823
"331084"	319.7349495	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+H+NH4"	19.041099
"724600"	474.8421495	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+H+NH4"	19.041099
"1479145"	164.6277495	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H+NH4"	19.041099
"403310"	643.418018	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+Na"	22.989218
"765399"	953.632418	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+Na"	22.989218
"1611312"	333.203618	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Na"	22.989218
"321349"	322.212647	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+H+Na"	23.996494
"713771"	477.319847	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+H+Na"	23.996494
"1474519"	167.105447	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H+Na"	23.996494
"1063025"	111.73939	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2H+Na"	25.00377
"1272218"	343.247886	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+CH3OH+H"	33.033486
"391804"	659.391958	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+K"	38.963158
"753974"	969.606358	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+K"	38.963158
"1555339"	349.177558	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+K"	38.963158
"312624"	330.199617	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+H+K"	39.970434
"701396"	485.306817	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+H+K"	39.970434
"1453032"	175.092417	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H+K"	39.970434
"240538"	662.462626	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+ACN+H"	42.033826
"1213976"	352.248226	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+ACN+H"	42.033826
"1200413"	176.627751	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+ACN+2H"	43.041102
"192187"	665.39996	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+2Na-H"	44.97116
"632844"	975.61436	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+2Na-H"	44.97116
"1137444"	355.18556	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2Na-H"	44.97116
"178552"	333.203618	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+2Na"	45.978436
"623584"	488.310818	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+2Na"	45.978436
"1130872"	178.096418	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2Na"	45.978436
"1413987"	119.066704	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H+2Na"	46.985712
"1444193"	357.227146	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H+HCOOH"	47.012746
"233158"	338.23664	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+3H2O+2H"	56.04448
"1524005"	371.27919	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+IsoProp+H"	61.06479
"423096"	341.190588	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+Na+K"	61.952376
"785386"	496.297788	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+Na+K"	61.952376
"1681271"	186.083388	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Na+K"	61.952376
"266901"	684.444568	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+ACN+Na"	64.015768
"1240013"	374.230168	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+ACN+Na"	64.015768
"1725619"	374.253693	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+NH4+HCOOH"	64.039293
"1194013"	126.394018	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+3Na"	68.967654
"1658678"	379.209088	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Na+HCOOH"	68.994688
"171006"	697.34784	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+2K-H"	76.91904
"605099"	1007.56224	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+2K-H"	76.91904
"1092893"	387.13344	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2K-H"	76.91904
"148615"	349.177558	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"2M+2K"	77.926316
"592551"	504.284758	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"3M+2K"	77.926316
"1077065"	194.070358	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2K"	77.926316
"1105903"	389.147992	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2K+H"	78.933592
"1348850"	389.235607	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+DMSO+H"	79.021207
"1016286"	393.274776	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2ACN+H"	83.060376
"1537693"	394.268408	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+IsoProp+Na+H"	84.054008
"1004142"	197.141026	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+2ACN+2H"	84.067652
"1592084"	395.183028	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+K+HCOOH"	84.968628
"1419929"	425.214538	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+H+CF3COOH"	115.000138
"1148394"	217.654301	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+3ACN+2H"	125.094202
"1697109"	442.241085	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+NH4+CF3COOH"	132.026685
"1649520"	447.19648	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+Na+CF3COOH"	136.98208
"1580918"	463.17042	"C04785"	"13(S)-HPOT;(9Z11E15Z)-(13S)-Hydroperoxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroperoxyoctadeca-91115-trienoic acid;13(S)-HpOTrE;13-HPOT"	"C18H30O4"	"310.2144"	"M+K+CF3COOH"	152.95602
"802898"	792.188	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M"	0
"981532"	773.16961	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-H2O-H"	-19.01839
"66494"	527.118057333333	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M-3H"	-3.021828
"508241"	791.180724	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M-3H"	-3.021828
"882033"	263.055390666667	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-3H"	-3.021828
"447"	791.180724	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M-2H"	-2.014552
"441990"	1187.274724	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M-2H"	-2.014552
"821257"	395.086724	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-2H"	-2.014552
"84162"	1583.368724	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M-H"	-1.007276
"524817"	2375.556724	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M-H"	-1.007276
"903713"	791.180724	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-H"	-1.007276
"62645"	1600.395271	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M-2H+NH4"	16.019271
"502039"	2392.583271	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M-2H+NH4"	16.019271
"878380"	808.207271	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-2H+NH4"	16.019271
"46281"	1605.350666	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M-2H+Na"	20.974666
"485719"	2397.538666	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M-2H+Na"	20.974666
"862667"	813.162666	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-2H+Na"	20.974666
"1631349"	813.162666	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Na-2H"	20.974666
"105690"	809.169063	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M-H+Cl"	33.962126
"547314"	1205.263063	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M-H+Cl"	33.962126
"936577"	413.075063	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-H+Cl"	33.962126
"270758"	1619.345402	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+Cl"	34.969402
"665368"	2411.533402	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+Cl"	34.969402
"1276678"	827.157402	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Cl"	34.969402
"20328"	1621.324606	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M-2H+K"	36.948606
"456850"	2413.512606	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M-2H+K"	36.948606
"834409"	829.136606	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-2H+K"	36.948606
"1555989"	829.136606	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+K-2H"	36.948606
"946874"	837.186194	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-H+HCOOH"	44.998194
"361555"	1629.374201	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+HCOOH-H"	44.998201
"356634"	1643.389851	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+Hac-H"	59.013851
"1505104"	851.201851	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Hac-H"	59.013851
"972646"	859.168151	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-H+NaCOOH"	66.980151
"123740"	827.157402	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+2Cl"	69.938804
"560386"	1223.251402	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+2Cl"	69.938804
"1032467"	431.063402	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2Cl"	69.938804
"1253139"	871.106885	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Br"	78.918885
"1306839"	873.162872	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Cl+HCOOH"	80.974872
"1329803"	895.144829	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Cl+NaCOOH"	102.956829
"923050"	905.173586	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M-H+CF3COOH"	112.985586
"1293195"	941.150264	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Cl+CF3COOH"	148.962264
"1376824"	757.175324	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H-2H2O"	-35.012676
"1388853"	775.1853	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H-H2O"	-17.0027
"283553"	1585.383276	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+H"	1.007276
"677679"	2377.571276	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+H"	1.007276
"1358403"	793.195276	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H"	1.007276
"130199"	793.195276	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+2H"	2.014552
"569760"	1189.289276	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+2H"	2.014552
"1041842"	397.101276	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2H"	2.014552
"206461"	529.132609333333	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+3H"	3.021828
"646385"	793.195276	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+3H"	3.021828
"1165604"	265.069942666667	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+3H"	3.021828
"427052"	1602.409823	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+NH4"	18.033823
"787316"	2394.597823	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+NH4"	18.033823
"1684376"	810.221823	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+NH4"	18.033823
"331928"	801.7085495	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+H+NH4"	19.041099
"725444"	1197.8025495	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+H+NH4"	19.041099
"1478525"	405.6145495	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H+NH4"	19.041099
"403419"	1607.365218	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+Na"	22.989218
"762228"	2399.553218	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+Na"	22.989218
"1612151"	815.177218	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Na"	22.989218
"321459"	804.186247	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+H+Na"	23.996494
"715703"	1200.280247	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+H+Na"	23.996494
"1474629"	408.092247	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H+Na"	23.996494
"1063135"	272.397256666667	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2H+Na"	25.00377
"1271501"	825.221486	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+CH3OH+H"	33.033486
"390317"	1623.339158	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+K"	38.963158
"754091"	2415.527158	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+K"	38.963158
"1555077"	831.151158	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+K"	38.963158
"313096"	812.173217	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+H+K"	39.970434
"700413"	1208.267217	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+H+K"	39.970434
"1452049"	416.079217	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H+K"	39.970434
"242834"	1626.409826	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+ACN+H"	42.033826
"1215544"	834.221826	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+ACN+H"	42.033826
"1200522"	417.614551	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+ACN+2H"	43.041102
"195578"	1629.34716	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+2Na-H"	44.97116
"634047"	2421.53516	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+2Na-H"	44.97116
"1139740"	837.15916	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2Na-H"	44.97116
"180848"	815.177218	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+2Na"	45.978436
"623330"	1211.271218	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+2Na"	45.978436
"1131287"	419.083218	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2Na"	45.978436
"1413736"	279.724570666667	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H+2Na"	46.985712
"1445360"	839.200746	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H+HCOOH"	47.012746
"234727"	820.21024	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+3H2O+2H"	56.04448
"1523522"	853.25279	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+IsoProp+H"	61.06479
"424023"	823.164188	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+Na+K"	61.952376
"784202"	1219.258188	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+Na+K"	61.952376
"1681020"	427.070188	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Na+K"	61.952376
"266566"	1648.391768	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+ACN+Na"	64.015768
"1241219"	856.203768	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+ACN+Na"	64.015768
"1727188"	856.227293	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+NH4+HCOOH"	64.039293
"1194163"	287.051884666667	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+3Na"	68.967654
"1662068"	861.182688	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Na+HCOOH"	68.994688
"170995"	1661.29504	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+2K-H"	76.91904
"609582"	2453.48304	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+2K-H"	76.91904
"1093003"	869.10704	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2K-H"	76.91904
"149819"	831.151158	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"2M+2K"	77.926316
"594727"	1227.245158	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"3M+2K"	77.926316
"1077174"	435.057158	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2K"	77.926316
"1107105"	871.121592	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2K+H"	78.933592
"1345678"	871.209207	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+DMSO+H"	79.021207
"1016396"	875.248376	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2ACN+H"	83.060376
"1537803"	876.242008	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+IsoProp+Na+H"	84.054008
"1004861"	438.127826	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+2ACN+2H"	84.067652
"1590008"	877.156628	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+K+HCOOH"	84.968628
"1417853"	907.188138	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+H+CF3COOH"	115.000138
"1150328"	458.641101	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+3ACN+2H"	125.094202
"1697034"	924.214685	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+NH4+CF3COOH"	132.026685
"1648658"	929.17008	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+Na+CF3COOH"	136.98208
"1581028"	945.14402	"C04787"	"Cyanidin 3-rutinoside 5-glucoside chloride"	"C33H41O20Cl"	"792.188"	"M+K+CF3COOH"	152.95602
"802648"	316.1675	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M"	0
"981650"	297.14911	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-H2O-H"	-19.01839
"74270"	209.771057333333	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M-3H"	-3.021828
"516752"	315.160224	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M-3H"	-3.021828
"895163"	104.381890666667	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-3H"	-3.021828
"14834"	315.160224	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M-2H"	-2.014552
"453049"	473.243974	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M-2H"	-2.014552
"829394"	157.076474	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-2H"	-2.014552
"88668"	631.327724	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M-H"	-1.007276
"528226"	947.495224	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M-H"	-1.007276
"904934"	315.160224	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-H"	-1.007276
"56028"	648.354271	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M-2H+NH4"	16.019271
"496679"	964.521771	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M-2H+NH4"	16.019271
"872293"	332.186771	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-2H+NH4"	16.019271
"40194"	653.309666	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M-2H+Na"	20.974666
"474287"	969.477166	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M-2H+Na"	20.974666
"850994"	337.142166	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-2H+Na"	20.974666
"1622715"	337.142166	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Na-2H"	20.974666
"94499"	333.148563	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M-H+Cl"	33.962126
"538804"	491.232313	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M-H+Cl"	33.962126
"927943"	175.064813	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-H+Cl"	33.962126
"267836"	667.304402	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+Cl"	34.969402
"663296"	983.471902	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+Cl"	34.969402
"1272855"	351.136902	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Cl"	34.969402
"22630"	669.283606	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M-2H+K"	36.948606
"460005"	985.451106	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M-2H+K"	36.948606
"842186"	353.116106	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-2H+K"	36.948606
"1567863"	353.116106	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+K-2H"	36.948606
"954653"	361.165694	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-H+HCOOH"	44.998194
"373236"	677.333201	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+HCOOH-H"	44.998201
"354567"	691.348851	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+Hac-H"	59.013851
"1501211"	375.181351	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Hac-H"	59.013851
"966567"	383.147651	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-H+NaCOOH"	66.980151
"116931"	351.136902	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+2Cl"	69.938804
"554668"	509.220652	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+2Cl"	69.938804
"1030394"	193.053152	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2Cl"	69.938804
"1249975"	395.086385	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Br"	78.918885
"1312423"	397.142372	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Cl+HCOOH"	80.974872
"1330284"	419.124329	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Cl+NaCOOH"	102.956829
"925966"	429.153086	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M-H+CF3COOH"	112.985586
"1303401"	465.129764	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Cl+CF3COOH"	148.962264
"1381562"	281.154824	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H-2H2O"	-35.012676
"1393709"	299.1648	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H-H2O"	-17.0027
"292668"	633.342276	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+H"	1.007276
"683266"	949.509776	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+H"	1.007276
"1358521"	317.174776	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H"	1.007276
"132504"	317.174776	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+2H"	2.014552
"569877"	475.258526	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+2H"	2.014552
"1045237"	159.091026	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2H"	2.014552
"209857"	211.785609333333	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+3H"	3.021828
"647230"	317.174776	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+3H"	3.021828
"1174103"	106.396442666667	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+3H"	3.021828
"428626"	650.368823	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+NH4"	18.033823
"798740"	966.536323	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+NH4"	18.033823
"1692522"	334.201323	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+NH4"	18.033823
"340800"	325.6880495	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+H+NH4"	19.041099
"733223"	483.7717995	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+H+NH4"	19.041099
"1489233"	167.6042995	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H+NH4"	19.041099
"402445"	655.324218	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+Na"	22.989218
"768671"	971.491718	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+Na"	22.989218
"1616891"	339.156718	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Na"	22.989218
"328880"	328.165747	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+H+Na"	23.996494
"721303"	486.249497	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+H+Na"	23.996494
"1476339"	170.081997	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H+Na"	23.996494
"1067275"	113.723756666667	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2H+Na"	25.00377
"1271502"	349.200986	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+CH3OH+H"	33.033486
"391893"	671.298158	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+K"	38.963158
"753130"	987.465658	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+K"	38.963158
"1554215"	355.130658	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+K"	38.963158
"310294"	336.152717	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+H+K"	39.970434
"705999"	494.236467	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+H+K"	39.970434
"1459453"	178.068967	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H+K"	39.970434
"250244"	674.368826	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+ACN+H"	42.033826
"1224413"	358.201326	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+ACN+H"	42.033826
"1207942"	179.604301	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+ACN+2H"	43.041102
"201544"	677.30616	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+2Na-H"	44.97116
"642562"	993.47366	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+2Na-H"	44.97116
"1145098"	361.13866	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2Na-H"	44.97116
"186077"	339.156718	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+2Na"	45.978436
"620534"	497.240468	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+2Na"	45.978436
"1126227"	181.072968	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2Na"	45.978436
"1405377"	121.051070666667	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H+2Na"	46.985712
"1437493"	363.180246	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H+HCOOH"	47.012746
"230469"	344.18974	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+3H2O+2H"	56.04448
"1522544"	377.23229	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+IsoProp+H"	61.06479
"423568"	347.143688	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+Na+K"	61.952376
"784317"	505.227438	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+Na+K"	61.952376
"1680288"	189.059938	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Na+K"	61.952376
"260971"	696.350768	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+ACN+Na"	64.015768
"1237322"	380.183268	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+ACN+Na"	64.015768
"1726212"	380.206793	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+NH4+HCOOH"	64.039293
"1191565"	128.378384666667	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+3Na"	68.967654
"1657811"	385.162188	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Na+HCOOH"	68.994688
"165765"	709.25404	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+2K-H"	76.91904
"606421"	1025.42154	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+2K-H"	76.91904
"1098117"	393.08654	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2K-H"	76.91904
"155415"	355.130658	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"2M+2K"	77.926316
"595942"	513.214408	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"3M+2K"	77.926316
"1083010"	197.046908	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2K"	77.926316
"1114155"	395.101092	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2K+H"	78.933592
"1347990"	395.188707	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+DMSO+H"	79.021207
"1018704"	399.227876	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2ACN+H"	83.060376
"1537685"	400.221508	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+IsoProp+Na+H"	84.054008
"1002914"	200.117576	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+2ACN+2H"	84.067652
"1596685"	401.136128	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+K+HCOOH"	84.968628
"1421253"	431.167638	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+H+CF3COOH"	115.000138
"1158102"	220.630851	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+3ACN+2H"	125.094202
"1708745"	448.194185	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+NH4+CF3COOH"	132.026685
"1643303"	453.14958	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+Na+CF3COOH"	136.98208
"1581142"	469.12352	"C04793"	"34-Dihydroxy-910-secoandrosta-135(10)-triene-917-dione"	"C19H24O4"	"316.1675"	"M+K+CF3COOH"	152.95602
"802393"	379.1115	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M"	0
"981760"	360.09311	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-H2O-H"	-19.01839
"74380"	251.733724	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M-3H"	-3.021828
"518126"	378.104224	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M-3H"	-3.021828
"895358"	125.363224	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-3H"	-3.021828
"15619"	378.104224	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M-2H"	-2.014552
"453159"	567.659974	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M-2H"	-2.014552
"828775"	188.548474	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-2H"	-2.014552
"90600"	757.215724	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M-H"	-1.007276
"529067"	1136.327224	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M-H"	-1.007276
"905043"	378.104224	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-H"	-1.007276
"59782"	774.242271	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M-2H+NH4"	16.019271
"500069"	1153.353771	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M-2H+NH4"	16.019271
"871310"	395.130771	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-2H+NH4"	16.019271
"43584"	779.197666	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M-2H+Na"	20.974666
"480958"	1158.309166	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M-2H+Na"	20.974666
"853292"	400.086166	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-2H+Na"	20.974666
"1623918"	400.086166	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Na-2H"	20.974666
"95093"	396.092563	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M-H+Cl"	33.962126
"537821"	585.648313	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M-H+Cl"	33.962126
"928175"	206.536813	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-H+Cl"	33.962126
"268067"	793.192402	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+Cl"	34.969402
"662313"	1172.303902	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+Cl"	34.969402
"1273132"	414.080902	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Cl"	34.969402
"23833"	795.171606	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M-2H+K"	36.948606
"456584"	1174.283106	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M-2H+K"	36.948606
"844483"	416.060106	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-2H+K"	36.948606
"1567973"	416.060106	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+K-2H"	36.948606
"955492"	424.109694	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-H+HCOOH"	44.998194
"373711"	803.221201	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+HCOOH-H"	44.998201
"356866"	817.236851	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+Hac-H"	59.013851
"1501321"	438.125351	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Hac-H"	59.013851
"966680"	446.091651	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-H+NaCOOH"	66.980151
"117041"	414.080902	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+2Cl"	69.938804
"556966"	603.636652	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+2Cl"	69.938804
"1029412"	224.525152	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2Cl"	69.938804
"1250086"	458.030385	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Br"	78.918885
"1316180"	460.086372	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Cl+HCOOH"	80.974872
"1330758"	482.068329	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Cl+NaCOOH"	102.956829
"926079"	492.097086	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M-H+CF3COOH"	112.985586
"1303396"	528.073764	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Cl+CF3COOH"	148.962264
"1382285"	344.098824	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H-2H2O"	-35.012676
"1393089"	362.1088	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H-H2O"	-17.0027
"292050"	759.230276	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+H"	1.007276
"689939"	1138.341776	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+H"	1.007276
"1358997"	380.118776	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H"	1.007276
"128241"	380.118776	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+2H"	2.014552
"567071"	569.674526	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+2H"	2.014552
"1044254"	190.563026	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2H"	2.014552
"209968"	253.748276	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+3H"	3.021828
"649528"	380.118776	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+3H"	3.021828
"1172027"	127.377776	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+3H"	3.021828
"428736"	776.256823	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+NH4"	18.033823
"794109"	1155.368323	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+NH4"	18.033823
"1692269"	397.145323	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+NH4"	18.033823
"338723"	388.6320495	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+H+NH4"	19.041099
"734429"	578.1877995	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+H+NH4"	19.041099
"1488253"	199.0762995	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H+NH4"	19.041099
"405475"	781.212218	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+Na"	22.989218
"765743"	1160.323718	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+Na"	22.989218
"1617122"	402.100718	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Na"	22.989218
"329861"	391.109747	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+H+Na"	23.996494
"722021"	580.665497	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+H+Na"	23.996494
"1476326"	201.553997	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H+Na"	23.996494
"1067740"	134.70509	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2H+Na"	25.00377
"1272707"	412.144986	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+CH3OH+H"	33.033486
"392498"	797.186158	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+K"	38.963158
"753531"	1176.297658	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+K"	38.963158
"1551045"	418.074658	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+K"	38.963158
"312593"	399.096717	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+H+K"	39.970434
"702830"	588.652467	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+H+K"	39.970434
"1458839"	209.540967	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H+K"	39.970434
"248533"	800.256826	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+ACN+H"	42.033826
"1221243"	421.145326	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+ACN+H"	42.033826
"1208417"	211.076301	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+ACN+2H"	43.041102
"202748"	803.19416	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+2Na-H"	44.97116
"640848"	1182.30566	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+2Na-H"	44.97116
"1146669"	424.08266	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2Na-H"	44.97116
"187650"	402.100718	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+2Na"	45.978436
"627329"	591.656468	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+2Na"	45.978436
"1128526"	212.544968	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2Na"	45.978436
"1408769"	142.032404	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H+2Na"	46.985712
"1439791"	426.124246	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H+HCOOH"	47.012746
"232766"	407.13374	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+3H2O+2H"	56.04448
"1523871"	440.17629	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+IsoProp+H"	61.06479
"423966"	410.087688	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+Na+K"	61.952376
"785624"	599.643438	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+Na+K"	61.952376
"1681240"	220.531938	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Na+K"	61.952376
"264361"	822.238768	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+ACN+Na"	64.015768
"1238162"	443.127268	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+ACN+Na"	64.015768
"1727780"	443.150793	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+NH4+HCOOH"	64.039293
"1191310"	149.359718	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+3Na"	68.967654
"1659015"	448.106188	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Na+HCOOH"	68.994688
"165875"	835.14204	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+2K-H"	76.91904
"608718"	1214.25354	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+2K-H"	76.91904
"1096891"	456.03054	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2K-H"	76.91904
"153344"	418.074658	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"2M+2K"	77.926316
"593630"	607.630408	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"3M+2K"	77.926316
"1081060"	228.518908	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2K"	77.926316
"1112083"	458.045092	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2K+H"	78.933592
"1348832"	458.132707	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+DMSO+H"	79.021207
"1019550"	462.171876	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2ACN+H"	83.060376
"1537310"	463.165508	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+IsoProp+Na+H"	84.054008
"1004852"	231.589576	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+2ACN+2H"	84.067652
"1596801"	464.080128	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+K+HCOOH"	84.968628
"1425742"	494.111638	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+H+CF3COOH"	115.000138
"1162224"	252.102851	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+3ACN+2H"	125.094202
"1711409"	511.138185	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+NH4+CF3COOH"	132.026685
"1645600"	516.09358	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+Na+CF3COOH"	136.98208
"1581252"	532.06752	"C04794"	"3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose"	"C14H21NO11"	"379.1115"	"M+K+CF3COOH"	152.95602
"805055"	229.0586	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M"	0
"981870"	210.04021	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H2O-H"	-19.01839
"75217"	151.698457333333	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-3H"	-3.021828
"505299"	228.051324	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-3H"	-3.021828
"891856"	75.3455906666667	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-3H"	-3.021828
"15658"	228.051324	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H"	-2.014552
"453635"	342.580624	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H"	-2.014552
"828521"	113.522024	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H"	-2.014552
"93261"	457.109924	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-H"	-1.007276
"532458"	686.168524	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-H"	-1.007276
"907707"	228.051324	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H"	-1.007276
"60620"	474.136471	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H+NH4"	16.019271
"500179"	703.195071	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H+NH4"	16.019271
"871420"	245.077871	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H+NH4"	16.019271
"43331"	479.091866	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H+Na"	20.974666
"483984"	708.150466	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H+Na"	20.974666
"855589"	250.033266	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H+Na"	20.974666
"1624028"	250.033266	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na-2H"	20.974666
"95089"	246.039663	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-H+Cl"	33.962126
"537931"	360.568963	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-H+Cl"	33.962126
"930351"	131.510363	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+Cl"	33.962126
"268908"	493.086602	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Cl"	34.969402
"662423"	722.145202	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+Cl"	34.969402
"1273853"	264.028002	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl"	34.969402
"20663"	495.065806	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H+K"	36.948606
"456453"	724.124406	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H+K"	36.948606
"842406"	266.007206	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H+K"	36.948606
"1566990"	266.007206	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K-2H"	36.948606
"953780"	274.056794	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+HCOOH"	44.998194
"371999"	503.115401	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+HCOOH-H"	44.998201
"355883"	517.131051	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Hac-H"	59.013851
"1501431"	288.072451	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Hac-H"	59.013851
"968612"	296.038751	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+NaCOOH"	66.980151
"117151"	264.028002	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2Cl"	69.938804
"558536"	378.557302	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2Cl"	69.938804
"1027337"	149.498702	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2Cl"	69.938804
"1249102"	307.977485	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Br"	78.918885
"1311550"	310.033472	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl+HCOOH"	80.974872
"1330139"	332.015429	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl+NaCOOH"	102.956829
"922292"	342.044186	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+CF3COOH"	112.985586
"1301554"	378.020864	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl+CF3COOH"	148.962264
"1380079"	194.045924	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H-2H2O"	-35.012676
"1392470"	212.0559	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H-H2O"	-17.0027
"292523"	459.124476	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H"	1.007276
"690901"	688.183076	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H"	1.007276
"1362023"	230.065876	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H"	1.007276
"131631"	230.065876	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2H"	2.014552
"570097"	344.595176	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2H"	2.014552
"1044364"	115.536576	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2H"	2.014552
"210078"	153.713009333333	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+3H"	3.021828
"652918"	230.065876	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+3H"	3.021828
"1172137"	77.3601426666667	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+3H"	3.021828
"427753"	476.151023	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+NH4"	18.033823
"796406"	705.209623	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+NH4"	18.033823
"1693838"	247.092423	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+NH4"	18.033823
"341021"	238.5791495	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H+NH4"	19.041099
"734539"	353.1084495	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H+NH4"	19.041099
"1489453"	124.0498495	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+NH4"	19.041099
"403763"	481.106418	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Na"	22.989218
"765853"	710.165018	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+Na"	22.989218
"1617232"	252.047818	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na"	22.989218
"329348"	241.056847	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H+Na"	23.996494
"722218"	355.586147	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H+Na"	23.996494
"1476684"	126.527547	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+Na"	23.996494
"1066756"	84.6874566666667	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2H+Na"	25.00377
"1272619"	262.092086	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+CH3OH+H"	33.033486
"391752"	497.080358	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+K"	38.963158
"754006"	726.138958	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+K"	38.963158
"1551155"	268.021758	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K"	38.963158
"310150"	249.043817	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H+K"	39.970434
"704032"	363.573117	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H+K"	39.970434
"1458946"	134.514517	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+K"	39.970434
"249735"	500.151026	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+ACN+H"	42.033826
"1223904"	271.092426	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+ACN+H"	42.033826
"1209832"	136.049851	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+ACN+2H"	43.041102
"203795"	503.08836	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2Na-H"	44.97116
"643964"	732.14696	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2Na-H"	44.97116
"1146846"	274.02976	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2Na-H"	44.97116
"187639"	252.047818	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2Na"	45.978436
"628293"	366.577118	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2Na"	45.978436
"1129365"	137.518518	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2Na"	45.978436
"1413741"	92.0147706666667	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+2Na"	46.985712
"1445524"	276.071346	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+HCOOH"	47.012746
"233970"	257.08084	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+3H2O+2H"	56.04448
"1523982"	290.12339	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+IsoProp+H"	61.06479
"423184"	260.034788	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Na+K"	61.952376
"785149"	374.564088	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+Na+K"	61.952376
"1681094"	145.505488	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na+K"	61.952376
"266661"	522.132968	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+ACN+Na"	64.015768
"1239366"	293.074368	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+ACN+Na"	64.015768
"1728011"	293.097893	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+NH4+HCOOH"	64.039293
"1193364"	99.3420846666667	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+3Na"	68.967654
"1660218"	298.053288	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na+HCOOH"	68.994688
"164892"	535.03624	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2K-H"	76.91904
"608828"	764.09484	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2K-H"	76.91904
"1097364"	305.97764	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2K-H"	76.91904
"152724"	268.021758	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2K"	77.926316
"594592"	382.551058	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2K"	77.926316
"1081170"	153.492458	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2K"	77.926316
"1112558"	307.992192	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2K+H"	78.933592
"1348577"	308.079807	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+DMSO+H"	79.021207
"1017837"	312.118976	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2ACN+H"	83.060376
"1537055"	313.112608	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+IsoProp+Na+H"	84.054008
"1002775"	156.563126	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2ACN+2H"	84.067652
"1600554"	314.027228	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K+HCOOH"	84.968628
"1426945"	344.058738	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+CF3COOH"	115.000138
"1161239"	177.076401	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+3ACN+2H"	125.094202
"1710060"	361.085285	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+NH4+CF3COOH"	132.026685
"1644616"	366.04068	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na+CF3COOH"	136.98208
"1581362"	382.01462	"C04796"	"4-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K+CF3COOH"	152.95602
"802978"	229.0586	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M"	0
"981980"	210.04021	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H2O-H"	-19.01839
"74598"	151.698457333333	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-3H"	-3.021828
"506502"	228.051324	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-3H"	-3.021828
"895330"	75.3455906666667	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-3H"	-3.021828
"15710"	228.051324	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H"	-2.014552
"454474"	342.580624	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H"	-2.014552
"831183"	113.522024	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H"	-2.014552
"91906"	457.109924	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-H"	-1.007276
"528549"	686.168524	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-H"	-1.007276
"910368"	228.051324	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H"	-1.007276
"57449"	474.136471	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H+NH4"	16.019271
"498833"	703.195071	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H+NH4"	16.019271
"877000"	245.077871	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H+NH4"	16.019271
"43443"	479.091866	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H+Na"	20.974666
"483365"	708.150466	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H+Na"	20.974666
"855699"	250.033266	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H+Na"	20.974666
"1624139"	250.033266	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na-2H"	20.974666
"94342"	246.039663	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-H+Cl"	33.962126
"534309"	360.568963	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-H+Cl"	33.962126
"930460"	131.510363	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+Cl"	33.962126
"267596"	493.086602	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Cl"	34.969402
"660056"	722.145202	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+Cl"	34.969402
"1273838"	264.028002	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl"	34.969402
"16107"	495.065806	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M-2H+K"	36.948606
"456605"	724.124406	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M-2H+K"	36.948606
"842516"	266.007206	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-2H+K"	36.948606
"1566006"	266.007206	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K-2H"	36.948606
"954983"	274.056794	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+HCOOH"	44.998194
"375387"	503.115401	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+HCOOH-H"	44.998201
"358908"	517.131051	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Hac-H"	59.013851
"1501541"	288.072451	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Hac-H"	59.013851
"962156"	296.038751	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+NaCOOH"	66.980151
"113979"	264.028002	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2Cl"	69.938804
"557549"	378.557302	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2Cl"	69.938804
"1025618"	149.498702	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2Cl"	69.938804
"1250306"	307.977485	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Br"	78.918885
"1313848"	310.033472	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl+HCOOH"	80.974872
"1330248"	332.015429	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl+NaCOOH"	102.956829
"922401"	342.044186	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M-H+CF3COOH"	112.985586
"1302029"	378.020864	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Cl+CF3COOH"	148.962264
"1379460"	194.045924	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H-2H2O"	-35.012676
"1392580"	212.0559	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H-H2O"	-17.0027
"291904"	459.124476	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H"	1.007276
"691012"	688.183076	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H"	1.007276
"1361769"	230.065876	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H"	1.007276
"132837"	230.065876	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2H"	2.014552
"570208"	344.595176	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2H"	2.014552
"1040100"	115.536576	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2H"	2.014552
"212375"	153.713009333333	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+3H"	3.021828
"649748"	230.065876	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+3H"	3.021828
"1172247"	77.3601426666667	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+3H"	3.021828
"425677"	476.151023	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+NH4"	18.033823
"795788"	705.209623	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+NH4"	18.033823
"1695406"	247.092423	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+NH4"	18.033823
"340767"	238.5791495	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H+NH4"	19.041099
"731365"	353.1084495	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H+NH4"	19.041099
"1485188"	124.0498495	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+NH4"	19.041099
"401681"	481.106418	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Na"	22.989218
"765963"	710.165018	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+Na"	22.989218
"1615154"	252.047818	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na"	22.989218
"329951"	241.056847	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H+Na"	23.996494
"722488"	355.586147	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H+Na"	23.996494
"1477022"	126.527547	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+Na"	23.996494
"1068403"	84.6874566666667	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2H+Na"	25.00377
"1272602"	262.092086	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+CH3OH+H"	33.033486
"392109"	497.080358	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+K"	38.963158
"754139"	726.138958	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+K"	38.963158
"1551265"	268.021758	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K"	38.963158
"307344"	249.043817	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+H+K"	39.970434
"701956"	363.573117	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+H+K"	39.970434
"1458692"	134.514517	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+K"	39.970434
"248752"	500.151026	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+ACN+H"	42.033826
"1219273"	271.092426	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+ACN+H"	42.033826
"1209725"	136.049851	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+ACN+2H"	43.041102
"204015"	503.08836	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2Na-H"	44.97116
"643629"	732.14696	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2Na-H"	44.97116
"1147048"	274.02976	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2Na-H"	44.97116
"188430"	252.047818	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2Na"	45.978436
"627793"	366.577118	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2Na"	45.978436
"1130942"	137.518518	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2Na"	45.978436
"1413812"	92.0147706666667	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+2Na"	46.985712
"1445286"	276.071346	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+HCOOH"	47.012746
"235502"	257.08084	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+3H2O+2H"	56.04448
"1524009"	290.12339	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+IsoProp+H"	61.06479
"424057"	260.034788	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+Na+K"	61.952376
"784772"	374.564088	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+Na+K"	61.952376
"1680127"	145.505488	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na+K"	61.952376
"266854"	522.132968	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+ACN+Na"	64.015768
"1241162"	293.074368	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+ACN+Na"	64.015768
"1728121"	293.097893	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+NH4+HCOOH"	64.039293
"1192623"	99.3420846666667	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+3Na"	68.967654
"1659235"	298.053288	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na+HCOOH"	68.994688
"165002"	535.03624	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2K-H"	76.91904
"612217"	764.09484	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2K-H"	76.91904
"1098436"	305.97764	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2K-H"	76.91904
"154641"	268.021758	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"2M+2K"	77.926316
"596146"	382.551058	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"3M+2K"	77.926316
"1082373"	153.492458	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2K"	77.926316
"1114489"	307.992192	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2K+H"	78.933592
"1349779"	308.079807	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+DMSO+H"	79.021207
"1020135"	312.118976	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2ACN+H"	83.060376
"1539353"	313.112608	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+IsoProp+Na+H"	84.054008
"1004343"	156.563126	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+2ACN+2H"	84.067652
"1602127"	314.027228	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K+HCOOH"	84.968628
"1427056"	344.058738	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+H+CF3COOH"	115.000138
"1162203"	177.076401	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+3ACN+2H"	125.094202
"1711263"	361.085285	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+NH4+CF3COOH"	132.026685
"1644726"	366.04068	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+Na+CF3COOH"	136.98208
"1581472"	382.01462	"C04797"	"5-(L-Alanin-3-yl)-2-hydroxy-ciscis-muconate 6-semialdehyde"	"C9H11NO6"	"229.0586"	"M+K+CF3COOH"	152.95602
"801995"	253.0254	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M"	0
"985370"	234.00701	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-H2O-H"	-19.01839
"71428"	167.676324	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M-3H"	-3.021828
"506612"	252.018124	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M-3H"	-3.021828
"883319"	83.334524	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-3H"	-3.021828
"15027"	252.018124	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M-2H"	-2.014552
"451301"	378.530824	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M-2H"	-2.014552
"828009"	125.505424	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-2H"	-2.014552
"90923"	505.043524	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M-H"	-1.007276
"527566"	758.068924	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M-H"	-1.007276
"907926"	252.018124	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-H"	-1.007276
"59018"	522.070071	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M-2H+NH4"	16.019271
"497485"	775.095471	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M-2H+NH4"	16.019271
"876017"	269.044671	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-2H+NH4"	16.019271
"43917"	527.025466	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M-2H+Na"	20.974666
"481289"	780.050866	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M-2H+Na"	20.974666
"851436"	274.000066	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-2H+Na"	20.974666
"1623156"	274.000066	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Na-2H"	20.974666
"94488"	270.006463	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M-H+Cl"	33.962126
"534375"	396.519163	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M-H+Cl"	33.962126
"927693"	143.493763	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-H+Cl"	33.962126
"267462"	541.020202	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+Cl"	34.969402
"660938"	794.045602	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+Cl"	34.969402
"1273215"	287.994802	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Cl"	34.969402
"15754"	542.999406	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M-2H+K"	36.948606
"456310"	796.024806	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M-2H+K"	36.948606
"839347"	289.974006	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-2H+K"	36.948606
"1563930"	289.974006	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+K-2H"	36.948606
"952907"	298.023594	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-H+HCOOH"	44.998194
"374404"	551.049001	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+HCOOH-H"	44.998201
"357195"	565.064651	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+Hac-H"	59.013851
"1500558"	312.039251	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Hac-H"	59.013851
"961902"	320.005551	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-H+NaCOOH"	66.980151
"114089"	287.994802	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+2Cl"	69.938804
"554377"	414.507502	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+2Cl"	69.938804
"1023906"	161.482102	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2Cl"	69.938804
"1244213"	331.944285	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Br"	78.918885
"1313958"	334.000272	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Cl+HCOOH"	80.974872
"1329265"	355.982229	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Cl+NaCOOH"	102.956829
"922511"	366.010986	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M-H+CF3COOH"	112.985586
"1300311"	401.987664	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Cl+CF3COOH"	148.962264
"1379569"	218.012724	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H-2H2O"	-35.012676
"1395605"	236.0227	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H-H2O"	-17.0027
"285814"	507.058076	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+H"	1.007276
"683704"	760.083476	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+H"	1.007276
"1360053"	254.032676	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H"	1.007276
"129664"	254.032676	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+2H"	2.014552
"571410"	380.545376	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+2H"	2.014552
"1043490"	127.519976	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2H"	2.014552
"213578"	169.690876	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+3H"	3.021828
"649858"	254.032676	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+3H"	3.021828
"1172357"	85.349076	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+3H"	3.021828
"426515"	524.084623	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+NH4"	18.033823
"795898"	777.110023	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+NH4"	18.033823
"1694787"	271.059223	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+NH4"	18.033823
"341970"	262.5459495	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+H+NH4"	19.041099
"732569"	389.0586495	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+H+NH4"	19.041099
"1483110"	136.0332495	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H+NH4"	19.041099
"401791"	529.040018	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+Na"	22.989218
"767167"	782.065418	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+Na"	22.989218
"1614171"	276.014618	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Na"	22.989218
"329770"	265.023647	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+H+Na"	23.996494
"721503"	391.536347	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+H+Na"	23.996494
"1476654"	138.510947	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H+Na"	23.996494
"1065883"	92.67639	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2H+Na"	25.00377
"1270478"	286.058886	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+CH3OH+H"	33.033486
"390515"	545.013958	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+K"	38.963158
"747134"	798.039358	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+K"	38.963158
"1549188"	291.988558	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+K"	38.963158
"308548"	273.010617	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+H+K"	39.970434
"700973"	399.523317	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+H+K"	39.970434
"1451509"	146.497917	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H+K"	39.970434
"240110"	548.084626	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+ACN+H"	42.033826
"1219383"	295.059226	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+ACN+H"	42.033826
"1209567"	148.033251	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+ACN+2H"	43.041102
"204181"	551.02196	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+2Na-H"	44.97116
"644020"	804.04736	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+2Na-H"	44.97116
"1146755"	297.99656	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2Na-H"	44.97116
"188424"	276.014618	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+2Na"	45.978436
"627907"	402.527318	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+2Na"	45.978436
"1130686"	149.501918	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2Na"	45.978436
"1413598"	100.003704	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H+2Na"	46.985712
"1444987"	300.038146	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H+HCOOH"	47.012746
"235045"	281.04764	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+3H2O+2H"	56.04448
"1523954"	314.09019	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+IsoProp+H"	61.06479
"423761"	284.001588	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+Na+K"	61.952376
"784029"	410.514288	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+Na+K"	61.952376
"1677078"	157.488888	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Na+K"	61.952376
"267004"	570.066568	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+ACN+Na"	64.015768
"1240437"	317.041168	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+ACN+Na"	64.015768
"1727016"	317.064693	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+NH4+HCOOH"	64.039293
"1192733"	107.331018	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+3Na"	68.967654
"1659345"	322.020088	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Na+HCOOH"	68.994688
"165112"	582.96984	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+2K-H"	76.91904
"611234"	835.99524	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+2K-H"	76.91904
"1098546"	329.94444	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2K-H"	76.91904
"153658"	291.988558	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"2M+2K"	77.926316
"594312"	418.501258	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"3M+2K"	77.926316
"1077730"	165.475858	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2K"	77.926316
"1112770"	331.958992	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2K+H"	78.933592
"1349525"	332.046607	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+DMSO+H"	79.021207
"1021016"	336.085776	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2ACN+H"	83.060376
"1539669"	337.079408	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+IsoProp+Na+H"	84.054008
"1005264"	168.546526	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+2ACN+2H"	84.067652
"1602115"	337.994028	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+K+HCOOH"	84.968628
"1428258"	368.025538	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+H+CF3COOH"	115.000138
"1161825"	189.059801	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+3ACN+2H"	125.094202
"1711373"	385.052085	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+NH4+CF3COOH"	132.026685
"1644836"	390.00748	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+Na+CF3COOH"	136.98208
"1581582"	405.98142	"C04798"	"5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone;Chloridazon catechol;5-Amino-4-chloro-2-(23-dihydroxyphenyl)-3(2H)-pyridazinone"	"C10H8ClN3O3"	"253.0254"	"M+K+CF3COOH"	152.95602
"803202"	1122.3043	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M"	0
"986581"	1103.28591	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-H2O-H"	-19.01839
"73729"	747.195590666667	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M-3H"	-3.021828
"516573"	1121.297024	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M-3H"	-3.021828
"893649"	373.094157333333	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-3H"	-3.021828
"11860"	1121.297024	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M-2H"	-2.014552
"454217"	1682.449174	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M-2H"	-2.014552
"828129"	560.144874	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-2H"	-2.014552
"90674"	2243.601324	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M-H"	-1.007276
"529869"	3365.905624	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M-H"	-1.007276
"908034"	1121.297024	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-H"	-1.007276
"57305"	2260.627871	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M-2H+NH4"	16.019271
"497229"	3382.932171	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M-2H+NH4"	16.019271
"876490"	1138.323571	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-2H+NH4"	16.019271
"42568"	2265.583266	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M-2H+Na"	20.974666
"481035"	3387.887566	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M-2H+Na"	20.974666
"857013"	1143.278966	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-2H+Na"	20.974666
"1626545"	1143.278966	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Na-2H"	20.974666
"104167"	1139.285363	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M-H+Cl"	33.962126
"541540"	1700.437513	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M-H+Cl"	33.962126
"930680"	578.133213	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-H+Cl"	33.962126
"275806"	2279.578002	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+Cl"	34.969402
"673097"	3401.882302	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+Cl"	34.969402
"1288097"	1157.273702	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Cl"	34.969402
"24290"	2281.557206	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M-2H+K"	36.948606
"466038"	3403.861506	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M-2H+K"	36.948606
"840559"	1159.252906	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-2H+K"	36.948606
"1561860"	1159.252906	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+K-2H"	36.948606
"954483"	1167.302494	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-H+HCOOH"	44.998194
"374522"	2289.606801	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+HCOOH-H"	44.998201
"356944"	2303.622451	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+Hac-H"	59.013851
"1505049"	1181.318151	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Hac-H"	59.013851
"970770"	1189.284451	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-H+NaCOOH"	66.980151
"120405"	1157.273702	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+2Cl"	69.938804
"563492"	1718.425852	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+2Cl"	69.938804
"1034232"	596.121552	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2Cl"	69.938804
"1253807"	1201.223185	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Br"	78.918885
"1315162"	1203.279172	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Cl+HCOOH"	80.974872
"1326096"	1225.261129	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Cl+NaCOOH"	102.956829
"924450"	1235.289886	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M-H+CF3COOH"	112.985586
"1299334"	1271.266564	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Cl+CF3COOH"	148.962264
"1370934"	1087.291624	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H-2H2O"	-35.012676
"1389524"	1105.3016	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H-H2O"	-17.0027
"287024"	2245.615876	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+H"	1.007276
"687100"	3367.920176	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+H"	1.007276
"1360168"	1123.311576	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H"	1.007276
"135244"	1123.311576	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+2H"	2.014552
"572619"	1684.463726	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+2H"	2.014552
"1038500"	562.159426	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2H"	2.014552
"208584"	749.210142666667	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+3H"	3.021828
"658012"	1123.311576	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+3H"	3.021828
"1176499"	375.108709333333	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+3H"	3.021828
"438799"	2262.642423	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+NH4"	18.033823
"799914"	3384.946723	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+NH4"	18.033823
"1695882"	1140.338123	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+NH4"	18.033823
"344408"	1131.8248495	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+H+NH4"	19.041099
"735980"	1692.9769995	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+H+NH4"	19.041099
"1490164"	570.6726995	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H+NH4"	19.041099
"404108"	2267.597818	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+Na"	22.989218
"768018"	3389.902118	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+Na"	22.989218
"1615754"	1145.293518	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Na"	22.989218
"327249"	1134.302547	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+H+Na"	23.996494
"718936"	1695.454697	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+H+Na"	23.996494
"1474942"	573.150397	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H+Na"	23.996494
"1066248"	382.436023333333	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2H+Na"	25.00377
"1271565"	1155.337786	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+CH3OH+H"	33.033486
"391726"	2283.571758	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+K"	38.963158
"753087"	3405.876058	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+K"	38.963158
"1554529"	1161.267458	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+K"	38.963158
"312923"	1142.289517	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+H+K"	39.970434
"701095"	1703.441667	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+H+K"	39.970434
"1458196"	581.137367	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H+K"	39.970434
"250077"	2286.642426	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+ACN+H"	42.033826
"1224126"	1164.338126	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+ACN+H"	42.033826
"1203389"	582.672701	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+ACN+2H"	43.041102
"202582"	2289.57976	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+2Na-H"	44.97116
"642627"	3411.88406	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+2Na-H"	44.97116
"1142608"	1167.27546	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2Na-H"	44.97116
"178245"	1145.293518	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+2Na"	45.978436
"618899"	1706.445668	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+2Na"	45.978436
"1130060"	584.141368	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2Na"	45.978436
"1413462"	389.763337333333	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H+2Na"	46.985712
"1444242"	1169.317046	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H+HCOOH"	47.012746
"234429"	1150.32654	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+3H2O+2H"	56.04448
"1523100"	1183.36909	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+IsoProp+H"	61.06479
"423148"	1153.280488	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+Na+K"	61.952376
"785247"	1714.432638	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+Na+K"	61.952376
"1680609"	592.128338	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Na+K"	61.952376
"266879"	2308.624368	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+ACN+Na"	64.015768
"1238856"	1186.320068	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+ACN+Na"	64.015768
"1727867"	1186.343593	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+NH4+HCOOH"	64.039293
"1193715"	397.090651333333	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+3Na"	68.967654
"1663846"	1191.298988	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Na+HCOOH"	68.994688
"171438"	2321.52764	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+2K-H"	76.91904
"611241"	3443.83194	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+2K-H"	76.91904
"1097574"	1199.22334	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2K-H"	76.91904
"151593"	1161.267458	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"2M+2K"	77.926316
"593707"	1722.419608	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"3M+2K"	77.926316
"1081135"	600.115308	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2K"	77.926316
"1113983"	1201.237892	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2K+H"	78.933592
"1347083"	1201.325507	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+DMSO+H"	79.021207
"1017434"	1205.364676	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2ACN+H"	83.060376
"1536652"	1206.358308	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+IsoProp+Na+H"	84.054008
"1003466"	603.185976	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+2ACN+2H"	84.067652
"1601249"	1207.272928	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+K+HCOOH"	84.968628
"1429095"	1237.304438	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+H+CF3COOH"	115.000138
"1160840"	623.699251	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+3ACN+2H"	125.094202
"1706018"	1254.330985	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+NH4+CF3COOH"	132.026685
"1642761"	1259.28638	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+Na+CF3COOH"	136.98208
"1584976"	1275.26032	"C04804"	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimeloyl-D-alanine;UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C38H60N8O27P2"	"1122.3043"	"M+K+CF3COOH"	152.95602
"805499"	320.2351	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"984501"	301.21671	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"71648"	212.482790666667	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"509021"	319.227824	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"894365"	105.737757333333	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"14645"	319.227824	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"453717"	479.345374	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"829332"	159.110274	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"92241"	639.462924	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"528884"	959.698024	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"907414"	319.227824	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"56686"	656.489471	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"494059"	976.724571	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"872955"	336.254371	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"40855"	661.444866	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"481508"	981.679966	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"853843"	341.209766	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1627748"	341.209766	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"100997"	337.216163	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"538370"	497.333713	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"929697"	177.098613	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"271904"	675.439602	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"672601"	995.674702	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1286706"	355.204502	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"29748"	677.418806	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"465056"	997.653906	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"839577"	357.183706	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1561971"	357.183706	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"956660"	365.233294	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"376941"	685.468401	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"358878"	699.484051	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1503701"	379.248951	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"973431"	387.215251	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"124162"	355.204502	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"563722"	515.322052	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1035436"	195.086952	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1252824"	399.153985	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1314179"	401.209972	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1326934"	423.191929	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"922738"	433.220686	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1299444"	469.197364	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1370679"	285.222424	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1389634"	303.2324	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"287134"	641.477476	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"687210"	961.712576	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1360278"	321.242376	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"129886"	321.242376	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"572729"	481.359926	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1040433"	161.124826	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"206507"	214.497342666667	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"658852"	321.242376	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1177573"	107.752309333333	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"439718"	658.504023	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"799777"	978.739123	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1696722"	338.268923	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"344755"	329.7556495	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"737911"	489.8731995	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1490638"	169.6380995	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"407131"	663.459418	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"768489"	983.694518	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1615499"	343.224318	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"327357"	332.233347	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"721232"	492.350897	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1476151"	172.115797	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1067574"	115.079623333333	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1272373"	353.268586	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"392203"	679.433358	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"753320"	999.668458	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1554765"	359.198258	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"313030"	340.220317	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"703390"	500.337867	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1458306"	180.102767	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"249094"	682.504026	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1223261"	362.268926	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1206782"	181.638101	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"203298"	685.44136	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"640304"	1005.67646	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1145150"	365.20626	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"177261"	343.224318	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"619009"	503.341868	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1130175"	183.106768	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1413331"	122.406937333333	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1444595"	367.247846	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"235507"	348.25734	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1523453"	381.29989	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"423017"	351.211288	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"784995"	511.328838	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1680839"	191.093738	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"266828"	704.485968	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1240183"	384.250868	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1727614"	384.274393	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1193581"	129.734251333333	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1664323"	389.229788	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"170697"	717.38924	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"611107"	1037.62434	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1097440"	397.15414	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"151702"	359.198258	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"594181"	519.315808	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1082704"	199.080708	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1113970"	399.168692	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1346828"	399.256307	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1019366"	403.295476	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1537491"	404.289108	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1004306"	202.151376	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1601724"	405.203728	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1428477"	435.235238	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1162291"	222.664651	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1706128"	452.261785	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1645058"	457.21718	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1585086"	473.19112	"C04805"	"5(S)-HETE;5-Hydroxyeicosatetraenoate;5-HETE;(6E8Z11Z14Z)-(5S)-5-Hydroxyicosa-681114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"802329"	651.2891	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M"	0
"984611"	632.27071	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-H2O-H"	-19.01839
"68478"	433.185457333333	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M-3H"	-3.021828
"509130"	650.281824	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M-3H"	-3.021828
"893138"	216.089090666667	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-3H"	-3.021828
"11349"	650.281824	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M-2H"	-2.014552
"453099"	975.926374	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M-2H"	-2.014552
"829442"	324.637274	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-2H"	-2.014552
"92352"	1301.570924	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M-H"	-1.007276
"527900"	1952.860024	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M-H"	-1.007276
"905701"	650.281824	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-H"	-1.007276
"56796"	1318.597471	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M-2H+NH4"	16.019271
"498542"	1969.886571	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M-2H+NH4"	16.019271
"875251"	667.308371	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-2H+NH4"	16.019271
"42058"	1323.552866	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M-2H+Na"	20.974666
"481618"	1974.841966	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M-2H+Na"	20.974666
"853953"	672.263766	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-2H+Na"	20.974666
"1627858"	672.263766	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Na-2H"	20.974666
"101106"	668.270163	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M-H+Cl"	33.962126
"541759"	993.914713	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M-H+Cl"	33.962126
"935273"	342.625613	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-H+Cl"	33.962126
"274930"	1337.547602	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+Cl"	34.969402
"674537"	1988.836702	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+Cl"	34.969402
"1287870"	686.258502	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Cl"	34.969402
"30345"	1339.526806	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M-2H+K"	36.948606
"462979"	1990.815906	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M-2H+K"	36.948606
"841874"	688.237706	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-2H+K"	36.948606
"1564268"	688.237706	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+K-2H"	36.948606
"956165"	696.287294	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-H+HCOOH"	44.998194
"375716"	1347.576401	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+HCOOH-H"	44.998201
"357530"	1361.592051	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+Hac-H"	59.013851
"1504174"	710.302951	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Hac-H"	59.013851
"970623"	718.269251	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-H+NaCOOH"	66.980151
"122813"	686.258502	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+2Cl"	69.938804
"562738"	1011.903052	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+2Cl"	69.938804
"1034452"	360.613952	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2Cl"	69.938804
"1252934"	730.207985	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Br"	78.918885
"1314289"	732.263972	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Cl+HCOOH"	80.974872
"1327410"	754.245929	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Cl+NaCOOH"	102.956829
"922483"	764.274686	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M-H+CF3COOH"	112.985586
"1299554"	800.251364	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Cl+CF3COOH"	148.962264
"1370789"	616.276424	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H-2H2O"	-35.012676
"1389744"	634.2864	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H-H2O"	-17.0027
"287244"	1303.585476	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+H"	1.007276
"684040"	1954.874576	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+H"	1.007276
"1360388"	652.296376	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H"	1.007276
"131089"	652.296376	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+2H"	2.014552
"569559"	977.940926	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+2H"	2.014552
"1039813"	326.651826	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2H"	2.014552
"206250"	435.200009333333	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+3H"	3.021828
"659690"	652.296376	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+3H"	3.021828
"1177074"	218.103642666667	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+3H"	3.021828
"438531"	1320.612023	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+NH4"	18.033823
"799889"	1971.901123	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+NH4"	18.033823
"1696220"	669.322923	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+NH4"	18.033823
"345478"	660.8096495	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+H+NH4"	19.041099
"738020"	986.4541995	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+H+NH4"	19.041099
"1491112"	335.1650995	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H+NH4"	19.041099
"407606"	1325.567418	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+Na"	22.989218
"768963"	1976.856518	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+Na"	22.989218
"1617428"	674.278318	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Na"	22.989218
"329411"	663.287347	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+H+Na"	23.996494
"722440"	988.931897	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+H+Na"	23.996494
"1476934"	337.642797	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H+Na"	23.996494
"1068439"	225.430956666667	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2H+Na"	25.00377
"1272698"	684.322586	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+CH3OH+H"	33.033486
"392716"	1341.541358	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+K"	38.963158
"753308"	1992.830458	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+K"	38.963158
"1555496"	690.252258	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+K"	38.963158
"312896"	671.274317	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+H+K"	39.970434
"702043"	996.918867	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+H+K"	39.970434
"1456229"	345.629767	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H+K"	39.970434
"248110"	1344.612026	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+ACN+H"	42.033826
"1223372"	693.322926	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+ACN+H"	42.033826
"1205433"	347.165101	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+ACN+2H"	43.041102
"201584"	1347.54936	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+2Na-H"	44.97116
"643212"	1998.83846	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+2Na-H"	44.97116
"1145870"	696.26026	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2Na-H"	44.97116
"186361"	674.278318	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+2Na"	45.978436
"619119"	999.922868	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+2Na"	45.978436
"1128820"	348.633768	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2Na"	45.978436
"1412954"	232.758270666667	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H+2Na"	46.985712
"1441180"	698.301846	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H+HCOOH"	47.012746
"234772"	679.31134	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+3H2O+2H"	56.04448
"1523319"	712.35389	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+IsoProp+H"	61.06479
"424022"	682.265288	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+Na+K"	61.952376
"784979"	1007.909838	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+Na+K"	61.952376
"1680826"	356.620738	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Na+K"	61.952376
"266613"	1366.593968	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+ACN+Na"	64.015768
"1240747"	715.304868	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+ACN+Na"	64.015768
"1728046"	715.328393	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+NH4+HCOOH"	64.039293
"1193325"	240.085584666667	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+3Na"	68.967654
"1663824"	720.283788	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Na+HCOOH"	68.994688
"169104"	1379.49724	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+2K-H"	76.91904
"610488"	2030.78634	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+2K-H"	76.91904
"1095729"	728.20814	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2K-H"	76.91904
"150720"	690.252258	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"2M+2K"	77.926316
"593928"	1015.896808	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"3M+2K"	77.926316
"1082693"	364.607708	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2K"	77.926316
"1113597"	730.222692	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2K+H"	78.933592
"1348762"	730.310307	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+DMSO+H"	79.021207
"1018749"	734.349476	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2ACN+H"	83.060376
"1537601"	735.343108	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+IsoProp+Na+H"	84.054008
"1003931"	367.678376	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+2ACN+2H"	84.067652
"1599646"	736.257728	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+K+HCOOH"	84.968628
"1428951"	766.289238	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+H+CF3COOH"	115.000138
"1161426"	388.191651	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+3ACN+2H"	125.094202
"1704051"	783.315785	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+NH4+CF3COOH"	132.026685
"1640794"	788.27118	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+Na+CF3COOH"	136.98208
"1585196"	804.24512	"C04806"	"17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside"	"C32H45NO13"	"651.2891"	"M+K+CF3COOH"	152.95602
"804625"	355.0083	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M"	0
"984721"	335.98991	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-H2O-H"	-19.01839
"68588"	235.664924	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M-3H"	-3.021828
"510333"	354.001024	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M-3H"	-3.021828
"892884"	117.328824	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-3H"	-3.021828
"11459"	354.001024	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M-2H"	-2.014552
"453209"	531.505174	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M-2H"	-2.014552
"829552"	176.496874	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-2H"	-2.014552
"92098"	709.009324	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M-H"	-1.007276
"528010"	1064.017624	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M-H"	-1.007276
"904718"	354.001024	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-H"	-1.007276
"55813"	726.035871	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M-2H+NH4"	16.019271
"497559"	1081.044171	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M-2H+NH4"	16.019271
"876454"	371.027571	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-2H+NH4"	16.019271
"42168"	730.991266	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M-2H+Na"	20.974666
"479542"	1085.999566	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M-2H+Na"	20.974666
"854063"	375.982966	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-2H+Na"	20.974666
"1627968"	375.982966	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Na-2H"	20.974666
"101216"	371.989363	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M-H+Cl"	33.962126
"541869"	549.493513	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M-H+Cl"	33.962126
"935383"	194.485213	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-H+Cl"	33.962126
"275040"	744.986002	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+Cl"	34.969402
"675570"	1099.994302	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+Cl"	34.969402
"1288249"	389.977702	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Cl"	34.969402
"30573"	746.965206	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M-2H+K"	36.948606
"466369"	1101.973506	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M-2H+K"	36.948606
"841983"	391.956906	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-2H+K"	36.948606
"1564379"	391.956906	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+K-2H"	36.948606
"956275"	400.006494	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-H+HCOOH"	44.998194
"376190"	755.014801	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+HCOOH-H"	44.998201
"358733"	769.030451	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+Hac-H"	59.013851
"1504649"	414.022151	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Hac-H"	59.013851
"971098"	421.988451	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-H+NaCOOH"	66.980151
"122925"	389.977702	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+2Cl"	69.938804
"562120"	567.481852	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+2Cl"	69.938804
"1034198"	212.473552	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2Cl"	69.938804
"1253044"	433.927185	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Br"	78.918885
"1314399"	435.983172	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Cl+HCOOH"	80.974872
"1328613"	457.965129	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Cl+NaCOOH"	102.956829
"921864"	467.993886	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M-H+CF3COOH"	112.985586
"1297478"	503.970564	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Cl+CF3COOH"	148.962264
"1370535"	319.995624	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H-2H2O"	-35.012676
"1389854"	338.0056	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H-H2O"	-17.0027
"287354"	711.023876	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+H"	1.007276
"684150"	1066.032176	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+H"	1.007276
"1360498"	356.015576	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H"	1.007276
"130106"	356.015576	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+2H"	2.014552
"569667"	533.519726	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+2H"	2.014552
"1041745"	178.511426	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2H"	2.014552
"207456"	237.679476	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+3H"	3.021828
"659509"	356.015576	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+3H"	3.021828
"1176819"	119.343376	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+3H"	3.021828
"436089"	728.050423	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+NH4"	18.033823
"797813"	1083.058723	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+NH4"	18.033823
"1694508"	373.042123	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+NH4"	18.033823
"341334"	364.5288495	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+H+NH4"	19.041099
"735943"	542.0329995	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+H+NH4"	19.041099
"1489400"	187.0246995	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H+NH4"	19.041099
"404798"	733.005818	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+Na"	22.989218
"763242"	1088.014118	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+Na"	22.989218
"1613527"	377.997518	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Na"	22.989218
"325751"	367.006547	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+H+Na"	23.996494
"718172"	544.510697	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+H+Na"	23.996494
"1475268"	189.502397	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H+Na"	23.996494
"1066935"	126.67069	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2H+Na"	25.00377
"1270191"	388.041786	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+CH3OH+H"	33.033486
"391325"	748.979758	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+K"	38.963158
"753537"	1103.988058	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+K"	38.963158
"1554371"	393.971458	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+K"	38.963158
"312642"	374.993517	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+H+K"	39.970434
"700330"	552.497667	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+H+K"	39.970434
"1456338"	197.489367	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H+K"	39.970434
"243846"	752.050426	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+ACN+H"	42.033826
"1217649"	397.042126	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+ACN+H"	42.033826
"1204814"	199.024701	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+ACN+2H"	43.041102
"201330"	754.98776	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+2Na-H"	44.97116
"643442"	1109.99606	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+2Na-H"	44.97116
"1144396"	399.97946	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2Na-H"	44.97116
"186592"	377.997518	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+2Na"	45.978436
"618500"	555.501668	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+2Na"	45.978436
"1127837"	200.493368	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2Na"	45.978436
"1413875"	133.998004	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H+2Na"	46.985712
"1441655"	402.021046	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H+HCOOH"	47.012746
"235487"	383.03054	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+3H2O+2H"	56.04448
"1523995"	416.07309	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+IsoProp+H"	61.06479
"424203"	385.984488	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+Na+K"	61.952376
"785576"	563.488638	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+Na+K"	61.952376
"1681180"	208.480338	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Na+K"	61.952376
"266928"	774.032368	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+ACN+Na"	64.015768
"1240035"	419.024068	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+ACN+Na"	64.015768
"1727957"	419.047593	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+NH4+HCOOH"	64.039293
"1193557"	141.325318	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+3Na"	68.967654
"1663691"	424.002988	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Na+HCOOH"	68.994688
"170308"	786.93564	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+2K-H"	76.91904
"610597"	1141.94394	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+2K-H"	76.91904
"1095839"	431.92734	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2K-H"	76.91904
"151924"	393.971458	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"2M+2K"	77.926316
"594767"	571.475608	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"3M+2K"	77.926316
"1083045"	216.467308	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2K"	77.926316
"1114071"	433.941892	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2K+H"	78.933592
"1348871"	434.029507	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+DMSO+H"	79.021207
"1018493"	438.068676	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2ACN+H"	83.060376
"1536618"	439.062308	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+IsoProp+Na+H"	84.054008
"1001245"	219.537976	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+2ACN+2H"	84.067652
"1601944"	439.976928	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+K+HCOOH"	84.968628
"1429061"	470.008438	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+H+CF3COOH"	115.000138
"1160077"	240.051251	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+3ACN+2H"	125.094202
"1704161"	487.034985	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+NH4+CF3COOH"	132.026685
"1640904"	491.99038	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+Na+CF3COOH"	136.98208
"1585306"	507.96432	"C04807"	"2-Amino-78-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;2-Amino-4-hydroxy-6-hydroxymethyl-78-dihydropteridine diphosphate;78-Dihydropterin pyrophosphate"	"C7H11N5O8P2"	"355.0083"	"M+K+CF3COOH"	152.95602
"805829"	1526.8584	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M"	0
"983738"	1507.84001	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-H2O-H"	-19.01839
"68698"	1016.898324	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M-3H"	-3.021828
"509350"	1525.851124	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M-3H"	-3.021828
"894818"	507.945524	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-3H"	-3.021828
"15683"	1525.851124	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M-2H"	-2.014552
"455479"	2289.280324	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M-2H"	-2.014552
"830393"	762.421924	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-2H"	-2.014552
"93792"	3052.709524	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M-H"	-1.007276
"533878"	4579.567924	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M-H"	-1.007276
"909203"	1525.851124	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-H"	-1.007276
"55923"	3069.736071	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M-2H+NH4"	16.019271
"500223"	4596.594471	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M-2H+NH4"	16.019271
"875471"	1542.877671	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-2H+NH4"	16.019271
"43736"	3074.691466	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M-2H+Na"	20.974666
"480745"	4601.549866	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M-2H+Na"	20.974666
"854173"	1547.833066	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-2H+Na"	20.974666
"1624798"	1547.833066	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Na-2H"	20.974666
"101326"	1543.839463	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M-H+Cl"	33.962126
"538699"	2307.268663	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M-H+Cl"	33.962126
"932214"	780.410263	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-H+Cl"	33.962126
"275150"	3088.686202	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+Cl"	34.969402
"665382"	4615.544602	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+Cl"	34.969402
"1278152"	1561.827802	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Cl"	34.969402
"31095"	3090.665406	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M-2H+K"	36.948606
"470853"	4617.523806	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M-2H+K"	36.948606
"845375"	1563.807006	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-2H+K"	36.948606
"1569712"	1563.807006	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+K-2H"	36.948606
"958474"	1571.856594	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-H+HCOOH"	44.998194
"376422"	3098.715001	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+HCOOH-H"	44.998201
"359938"	3112.730651	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+Hac-H"	59.013851
"1505855"	1585.872251	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Hac-H"	59.013851
"972666"	1593.838551	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-H+NaCOOH"	66.980151
"124491"	1561.827802	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+2Cl"	69.938804
"564296"	2325.257002	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+2Cl"	69.938804
"1033579"	798.398602	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2Cl"	69.938804
"1254613"	1605.777285	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Br"	78.918885
"1315603"	1607.833272	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Cl+HCOOH"	80.974872
"1327630"	1629.815229	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Cl+NaCOOH"	102.956829
"924889"	1639.843986	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M-H+CF3COOH"	112.985586
"1298681"	1675.820664	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Cl+CF3COOH"	148.962264
"1370281"	1491.845724	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H-2H2O"	-35.012676
"1389964"	1509.8557	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H-H2O"	-17.0027
"287464"	3054.724076	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+H"	1.007276
"684260"	4581.582476	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+H"	1.007276
"1361701"	1527.865676	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H"	1.007276
"131310"	1527.865676	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+2H"	2.014552
"573058"	2291.294876	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+2H"	2.014552
"1040033"	764.436476	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2H"	2.014552
"209756"	1018.912876	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+3H"	3.021828
"658439"	1527.865676	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+3H"	3.021828
"1177658"	509.960076	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+3H"	3.021828
"439238"	3071.750623	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+NH4"	18.033823
"800964"	4598.609023	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+NH4"	18.033823
"1696566"	1544.892223	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+NH4"	18.033823
"344847"	1536.3789495	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+H+NH4"	19.041099
"737795"	2299.8081495	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+H+NH4"	19.041099
"1491331"	772.9497495	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H+NH4"	19.041099
"407461"	3076.706018	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+Na"	22.989218
"769184"	4603.564418	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+Na"	22.989218
"1617282"	1549.847618	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Na"	22.989218
"329385"	1538.856647	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+H+Na"	23.996494
"721927"	2302.285847	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+H+Na"	23.996494
"1476352"	775.427447	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H+Na"	23.996494
"1067776"	517.28739	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2H+Na"	25.00377
"1271030"	1559.891886	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+CH3OH+H"	33.033486
"392611"	3092.679958	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+K"	38.963158
"753846"	4619.538358	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+K"	38.963158
"1551928"	1565.821558	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+K"	38.963158
"311656"	1546.843617	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+H+K"	39.970434
"698253"	2310.272817	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+H+K"	39.970434
"1454263"	783.414417	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H+K"	39.970434
"243956"	3095.750626	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+ACN+H"	42.033826
"1218852"	1568.892226	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+ACN+H"	42.033826
"1199455"	784.949751	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+ACN+2H"	43.041102
"196701"	3098.68796	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+2Na-H"	44.97116
"637356"	4625.54636	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+2Na-H"	44.97116
"1146330"	1571.82956	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2Na-H"	44.97116
"184515"	1549.847618	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+2Na"	45.978436
"619703"	2313.276818	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+2Na"	45.978436
"1125030"	786.418418	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2Na"	45.978436
"1412198"	524.614704	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H+2Na"	46.985712
"1443587"	1573.871146	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H+HCOOH"	47.012746
"235673"	1554.88064	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+3H2O+2H"	56.04448
"1524144"	1587.92319	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+IsoProp+H"	61.06479
"424147"	1557.834588	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+Na+K"	61.952376
"785492"	2321.263788	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+Na+K"	61.952376
"1681234"	794.405388	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Na+K"	61.952376
"266986"	3117.732568	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+ACN+Na"	64.015768
"1241175"	1590.874168	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+ACN+Na"	64.015768
"1728389"	1590.897693	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+NH4+HCOOH"	64.039293
"1193953"	531.942018	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+3Na"	68.967654
"1664284"	1595.853088	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Na+HCOOH"	68.994688
"171872"	3130.63584	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+2K-H"	76.91904
"612163"	4657.49424	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+2K-H"	76.91904
"1097406"	1603.77744	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2K-H"	76.91904
"150943"	1565.821558	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"2M+2K"	77.926316
"593419"	2329.250758	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"3M+2K"	77.926316
"1083402"	802.392358	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2K"	77.926316
"1113692"	1605.791992	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2K+H"	78.933592
"1349107"	1605.879607	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+DMSO+H"	79.021207
"1017513"	1609.918776	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2ACN+H"	83.060376
"1536366"	1610.912408	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+IsoProp+Na+H"	84.054008
"1004518"	805.463026	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+2ACN+2H"	84.067652
"1601689"	1611.827028	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+K+HCOOH"	84.968628
"1428444"	1641.858538	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+H+CF3COOH"	115.000138
"1162011"	825.976301	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+3ACN+2H"	125.094202
"1708646"	1658.885085	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+NH4+CF3COOH"	132.026685
"1643201"	1663.84048	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+Na+CF3COOH"	136.98208
"1585416"	1679.81442	"C04808"	"D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid"	"C79H132O24P2"	"1526.8584"	"M+K+CF3COOH"	152.95602
"816637"	409.0999	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M"	0
"988833"	390.08151	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-H2O-H"	-19.01839
"74284"	271.725990666667	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M-3H"	-3.021828
"517376"	408.092624	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M-3H"	-3.021828
"893474"	135.359357333333	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-3H"	-3.021828
"13141"	408.092624	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M-2H"	-2.014552
"452337"	612.642574	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M-2H"	-2.014552
"828679"	203.542674	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-2H"	-2.014552
"87576"	817.192524	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M-H"	-1.007276
"524950"	1226.292424	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M-H"	-1.007276
"902751"	408.092624	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-H"	-1.007276
"49470"	834.219071	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M-2H+NH4"	16.019271
"495591"	1243.318971	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M-2H+NH4"	16.019271
"871207"	425.119171	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-2H+NH4"	16.019271
"41294"	839.174466	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M-2H+Na"	20.974666
"478668"	1248.274366	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M-2H+Na"	20.974666
"854283"	430.074566	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-2H+Na"	20.974666
"1619076"	430.074566	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Na-2H"	20.974666
"98161"	426.080963	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M-H+Cl"	33.962126
"546472"	630.630913	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M-H+Cl"	33.962126
"935613"	221.531013	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-H+Cl"	33.962126
"273439"	853.169202	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+Cl"	34.969402
"667688"	1262.269102	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+Cl"	34.969402
"1286900"	444.069302	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Cl"	34.969402
"29821"	855.148406	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M-2H+K"	36.948606
"469503"	1264.248306	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M-2H+K"	36.948606
"846939"	446.048506	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-2H+K"	36.948606
"1566780"	446.048506	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+K-2H"	36.948606
"953572"	454.098094	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-H+HCOOH"	44.998194
"376163"	863.198001	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+HCOOH-H"	44.998201
"358953"	877.213651	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+Hac-H"	59.013851
"1505237"	468.113751	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Hac-H"	59.013851
"970957"	476.080051	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-H+NaCOOH"	66.980151
"123511"	444.069302	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+2Cl"	69.938804
"561607"	648.619252	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+2Cl"	69.938804
"1032959"	239.519352	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2Cl"	69.938804
"1253267"	488.018785	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Br"	78.918885
"1315714"	490.074772	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Cl+HCOOH"	80.974872
"1327742"	512.056729	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Cl+NaCOOH"	102.956829
"919894"	522.085486	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M-H+CF3COOH"	112.985586
"1293323"	558.062164	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Cl+CF3COOH"	148.962264
"1372579"	374.087224	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H-2H2O"	-35.012676
"1391168"	392.0972	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H-H2O"	-17.0027
"287575"	819.207076	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+H"	1.007276
"682183"	1228.306976	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+H"	1.007276
"1359625"	410.107176	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H"	1.007276
"135795"	410.107176	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+2H"	2.014552
"577547"	614.657126	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+2H"	2.014552
"1049264"	205.557226	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2H"	2.014552
"216435"	273.740542666667	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+3H"	3.021828
"658549"	410.107176	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+3H"	3.021828
"1176309"	137.373909333333	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+3H"	3.021828
"437400"	836.233623	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+NH4"	18.033823
"799853"	1245.333523	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+NH4"	18.033823
"1696187"	427.133723	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+NH4"	18.033823
"344833"	418.6204495	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+H+NH4"	19.041099
"737251"	623.1703995	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+H+NH4"	19.041099
"1491320"	214.0704995	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H+NH4"	19.041099
"406842"	841.189018	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+Na"	22.989218
"767837"	1250.288918	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+Na"	22.989218
"1615934"	432.089118	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Na"	22.989218
"325970"	421.098147	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+H+Na"	23.996494
"721187"	625.648097	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+H+Na"	23.996494
"1475495"	216.548197	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H+Na"	23.996494
"1066552"	144.701223333333	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2H+Na"	25.00377
"1270415"	442.133386	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+CH3OH+H"	33.033486
"390821"	857.162958	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+K"	38.963158
"752179"	1266.262858	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+K"	38.963158
"1544389"	448.063058	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+K"	38.963158
"302297"	429.085117	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+H+K"	39.970434
"696176"	633.635067	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+H+K"	39.970434
"1449267"	224.535167	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H+K"	39.970434
"238599"	860.233626	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+ACN+H"	42.033826
"1212402"	451.133726	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+ACN+H"	42.033826
"1199567"	226.070501	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+ACN+2H"	43.041102
"194623"	863.17096	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+2Na-H"	44.97116
"631996"	1272.27086	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+2Na-H"	44.97116
"1132951"	454.07106	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2Na-H"	44.97116
"179161"	432.089118	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+2Na"	45.978436
"622730"	636.639068	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+2Na"	45.978436
"1130980"	227.539168	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2Na"	45.978436
"1413043"	152.028537333333	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H+2Na"	46.985712
"1445246"	456.112646	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H+HCOOH"	47.012746
"235670"	437.12214	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+3H2O+2H"	56.04448
"1524056"	470.16469	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+IsoProp+H"	61.06479
"424146"	440.076088	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+Na+K"	61.952376
"784702"	644.626038	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+Na+K"	61.952376
"1681032"	235.526138	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Na+K"	61.952376
"266459"	882.215568	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+ACN+Na"	64.015768
"1241307"	473.115668	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+ACN+Na"	64.015768
"1728137"	473.139193	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+NH4+HCOOH"	64.039293
"1193406"	159.355851333333	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+3Na"	68.967654
"1658926"	478.094588	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Na+HCOOH"	68.994688
"163600"	895.11884	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+2K-H"	76.91904
"599879"	1304.21874	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+2K-H"	76.91904
"1096054"	486.01894	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2K-H"	76.91904
"149953"	448.063058	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"2M+2K"	77.926316
"592068"	652.613008	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"3M+2K"	77.926316
"1083146"	243.513108	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2K"	77.926316
"1110516"	488.033492	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2K+H"	78.933592
"1346536"	488.121107	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+DMSO+H"	79.021207
"1015797"	492.160276	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2ACN+H"	83.060376
"1534650"	493.153908	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+IsoProp+Na+H"	84.054008
"997817"	246.583776	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+2ACN+2H"	84.067652
"1594508"	494.068528	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+K+HCOOH"	84.968628
"1417979"	524.100038	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+H+CF3COOH"	115.000138
"1148267"	267.097051	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+3ACN+2H"	125.094202
"1700371"	541.126585	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+NH4+CF3COOH"	132.026685
"1637848"	546.08198	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+Na+CF3COOH"	136.98208
"1575687"	562.05592	"C04811"	"1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole"	"C12H20N5O9P"	"409.0999"	"M+K+CF3COOH"	152.95602
"803135"	300.0835	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M"	0
"976303"	281.06511	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H2O-H"	-19.01839
"74394"	199.048390666667	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-3H"	-3.021828
"517611"	299.076224	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-3H"	-3.021828
"894563"	99.0205573333333	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-3H"	-3.021828
"14710"	299.076224	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H"	-2.014552
"453540"	449.117974	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H"	-2.014552
"823322"	149.034474	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H"	-2.014552
"86592"	599.159724	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-H"	-1.007276
"522873"	899.243224	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-H"	-1.007276
"901768"	299.076224	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H"	-1.007276
"49580"	616.186271	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H+NH4"	16.019271
"495701"	916.269771	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H+NH4"	16.019271
"871317"	316.102771	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H+NH4"	16.019271
"39217"	621.141666	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H+Na"	20.974666
"478778"	921.225166	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H+Na"	20.974666
"857672"	321.058166	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H+Na"	20.974666
"1620646"	321.058166	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na-2H"	20.974666
"100456"	317.064563	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-H+Cl"	33.962126
"546582"	467.106313	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-H+Cl"	33.962126
"935723"	167.022813	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+Cl"	33.962126
"276465"	635.136402	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Cl"	34.969402
"665242"	935.219902	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+Cl"	34.969402
"1287375"	335.052902	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl"	34.969402
"28229"	637.115606	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H+K"	36.948606
"466697"	937.199106	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H+K"	36.948606
"843405"	337.032106	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H+K"	36.948606
"1563610"	337.032106	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K-2H"	36.948606
"955504"	345.081694	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+HCOOH"	44.998194
"371898"	645.165201	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+HCOOH-H"	44.998201
"356876"	659.180851	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Hac-H"	59.013851
"1507535"	359.097351	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Hac-H"	59.013851
"973619"	367.063651	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+NaCOOH"	66.980151
"125077"	335.052902	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2Cl"	69.938804
"565367"	485.094652	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2Cl"	69.938804
"1036472"	185.011152	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2Cl"	69.938804
"1252280"	379.002385	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Br"	78.918885
"1316554"	381.058372	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl+HCOOH"	80.974872
"1328945"	403.040329	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl+NaCOOH"	102.956829
"917817"	413.069086	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+CF3COOH"	112.985586
"1291609"	449.045764	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl+CF3COOH"	148.962264
"1372689"	265.070824	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H-2H2O"	-35.012676
"1391278"	283.0808	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H-H2O"	-17.0027
"288778"	601.174276	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H"	1.007276
"683386"	901.257776	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H"	1.007276
"1356455"	301.090776	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H"	1.007276
"135905"	301.090776	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2H"	2.014552
"577656"	451.132526	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2H"	2.014552
"1049738"	151.049026	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2H"	2.014552
"213265"	201.062942666667	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+3H"	3.021828
"659186"	301.090776	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+3H"	3.021828
"1175326"	101.035109333333	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+3H"	3.021828
"437145"	618.200823	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+NH4"	18.033823
"798504"	918.284323	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+NH4"	18.033823
"1695932"	318.117323	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+NH4"	18.033823
"345147"	309.6040495	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H+NH4"	19.041099
"738052"	459.6457995	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H+NH4"	19.041099
"1491550"	159.5622995	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+NH4"	19.041099
"406951"	623.156218	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Na"	22.989218
"768310"	923.239718	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+Na"	22.989218
"1613857"	323.072718	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na"	22.989218
"327174"	312.081747	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H+Na"	23.996494
"721417"	462.123497	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H+Na"	23.996494
"1475726"	162.039997	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+Na"	23.996494
"1065564"	108.362423333333	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2H+Na"	25.00377
"1271257"	333.116986	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+CH3OH+H"	33.033486
"391285"	639.130158	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+K"	38.963158
"751923"	939.213658	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+K"	38.963158
"1546686"	339.046658	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K"	38.963158
"307146"	320.068717	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H+K"	39.970434
"700660"	470.110467	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H+K"	39.970434
"1455574"	170.026967	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+K"	39.970434
"239803"	642.200826	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+ACN+H"	42.033826
"1219072"	342.117326	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+ACN+H"	42.033826
"1200771"	171.562301	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+ACN+2H"	43.041102
"195828"	645.13816	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2Na-H"	44.97116
"631741"	945.22166	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2Na-H"	44.97116
"1136707"	345.05466	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2Na-H"	44.97116
"178177"	323.072718	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2Na"	45.978436
"622840"	473.114468	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2Na"	45.978436
"1128901"	173.030968	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2Na"	45.978436
"1410605"	115.689737333333	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+2Na"	46.985712
"1444909"	347.096246	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+HCOOH"	47.012746
"235499"	328.10574	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+3H2O+2H"	56.04448
"1524047"	361.14829	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+IsoProp+H"	61.06479
"424139"	331.059688	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Na+K"	61.952376
"785055"	481.101438	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+Na+K"	61.952376
"1680657"	181.017938	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na+K"	61.952376
"266897"	664.182768	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+ACN+Na"	64.015768
"1241171"	364.099268	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+ACN+Na"	64.015768
"1728288"	364.122793	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+NH4+HCOOH"	64.039293
"1193642"	123.017051333333	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+3Na"	68.967654
"1658674"	369.078188	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na+HCOOH"	68.994688
"162618"	677.08604	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2K-H"	76.91904
"603271"	977.16954	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2K-H"	76.91904
"1097624"	377.00254	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2K-H"	76.91904
"152253"	339.046658	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2K"	77.926316
"593273"	489.088408	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2K"	77.926316
"1083379"	189.004908	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2K"	77.926316
"1109901"	379.017092	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2K+H"	78.933592
"1345557"	379.104707	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+DMSO+H"	79.021207
"1018095"	383.143876	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2ACN+H"	83.060376
"1535127"	384.137508	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+IsoProp+Na+H"	84.054008
"1001573"	192.075576	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2ACN+2H"	84.067652
"1594618"	385.052128	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K+HCOOH"	84.968628
"1418090"	415.083638	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+CF3COOH"	115.000138
"1148376"	212.588851	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+3ACN+2H"	125.094202
"1700117"	432.110185	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+NH4+CF3COOH"	132.026685
"1636865"	437.06558	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na+CF3COOH"	136.98208
"1576890"	453.03952	"C04812"	"1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 4-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K+CF3COOH"	152.95602
"805067"	430.3811	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M"	0
"977506"	411.36271	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-H2O-H"	-19.01839
"77548"	285.913457333333	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M-3H"	-3.021828
"514066"	429.373824	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M-3H"	-3.021828
"893691"	142.453090666667	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-3H"	-3.021828
"9349"	429.373824	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M-2H"	-2.014552
"445629"	644.564374	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M-2H"	-2.014552
"820149"	214.183274	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-2H"	-2.014552
"85608"	859.754924	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M-H"	-1.007276
"524073"	1290.136024	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M-H"	-1.007276
"900782"	429.373824	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-H"	-1.007276
"55156"	876.781471	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M-2H+NH4"	16.019271
"497998"	1307.162571	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M-2H+NH4"	16.019271
"867051"	446.400371	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-2H+NH4"	16.019271
"36047"	881.736866	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M-2H+Na"	20.974666
"473422"	1312.117966	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M-2H+Na"	20.974666
"854505"	451.355766	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-2H+Na"	20.974666
"1624038"	451.355766	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Na-2H"	20.974666
"101661"	447.362163	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M-H+Cl"	33.962126
"546692"	662.552713	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M-H+Cl"	33.962126
"941058"	232.171613	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-H+Cl"	33.962126
"275482"	895.731602	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+Cl"	34.969402
"672285"	1326.112702	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+Cl"	34.969402
"1281409"	465.350502	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Cl"	34.969402
"25055"	897.710806	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M-2H+K"	36.948606
"463521"	1328.091906	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M-2H+K"	36.948606
"838043"	467.329706	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-2H+K"	36.948606
"1557887"	467.329706	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+K-2H"	36.948606
"945402"	475.379294	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-H+HCOOH"	44.998194
"364350"	905.760401	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+HCOOH-H"	44.998201
"351516"	919.776051	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+Hac-H"	59.013851
"1502535"	489.394951	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Hac-H"	59.013851
"968618"	497.361251	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-H+NaCOOH"	66.980151
"120078"	465.350502	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+2Cl"	69.938804
"560734"	680.541052	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+2Cl"	69.938804
"1035366"	250.159952	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2Cl"	69.938804
"1256608"	509.299985	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Br"	78.918885
"1314841"	511.355972	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Cl+HCOOH"	80.974872
"1327963"	533.337929	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Cl+NaCOOH"	102.956829
"919023"	543.366686	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M-H+CF3COOH"	112.985586
"1296825"	579.343364	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Cl+CF3COOH"	148.962264
"1372800"	395.368424	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H-2H2O"	-35.012676
"1388108"	413.3784	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H-H2O"	-17.0027
"288889"	861.769476	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+H"	1.007276
"685685"	1292.150576	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+H"	1.007276
"1358753"	431.388376	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H"	1.007276
"136015"	431.388376	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+2H"	2.014552
"571201"	646.578926	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+2H"	2.014552
"1049852"	216.197826	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2H"	2.014552
"216661"	287.928009333333	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+3H"	3.021828
"655126"	431.388376	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+3H"	3.021828
"1174714"	144.467642666667	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+3H"	3.021828
"435438"	878.796023	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+NH4"	18.033823
"797528"	1309.177123	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+NH4"	18.033823
"1693861"	448.414923	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+NH4"	18.033823
"338856"	439.9016495	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+H+NH4"	19.041099
"729092"	655.0921995	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+H+NH4"	19.041099
"1488381"	224.7110995	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H+NH4"	19.041099
"404874"	883.751418	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+Na"	22.989218
"766962"	1314.132518	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+Na"	22.989218
"1611778"	453.370318	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Na"	22.989218
"324001"	442.379347	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+H+Na"	23.996494
"720795"	657.569897	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+H+Na"	23.996494
"1465870"	227.188797	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H+Na"	23.996494
"1061302"	151.794956666667	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2H+Na"	25.00377
"1269539"	463.414586	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+CH3OH+H"	33.033486
"388112"	899.725358	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+K"	38.963158
"752031"	1330.106458	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+K"	38.963158
"1544247"	469.344258	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+K"	38.963158
"301060"	450.366317	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+H+K"	39.970434
"697854"	665.556867	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+H+K"	39.970434
"1451309"	235.175767	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H+K"	39.970434
"238818"	902.796026	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+ACN+H"	42.033826
"1212621"	472.414926	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+ACN+H"	42.033826
"1200880"	236.711101	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+ACN+2H"	43.041102
"195210"	905.73336	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+2Na-H"	44.97116
"631124"	1336.11446	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+2Na-H"	44.97116
"1133903"	475.35226	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2Na-H"	44.97116
"187161"	453.370318	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+2Na"	45.978436
"625504"	668.560868	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+2Na"	45.978436
"1129736"	238.179768	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2Na"	45.978436
"1410714"	159.122270666667	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H+2Na"	46.985712
"1442831"	477.393846	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H+HCOOH"	47.012746
"234959"	458.40334	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+3H2O+2H"	56.04448
"1523142"	491.44589	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+IsoProp+H"	61.06479
"423925"	461.357288	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+Na+K"	61.952376
"784558"	676.547838	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+Na+K"	61.952376
"1680647"	246.166738	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Na+K"	61.952376
"266923"	924.777968	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+ACN+Na"	64.015768
"1239389"	494.396868	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+ACN+Na"	64.015768
"1726453"	494.420393	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+NH4+HCOOH"	64.039293
"1193021"	166.449584666667	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+3Na"	68.967654
"1659148"	499.375788	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Na+HCOOH"	68.994688
"161635"	937.68124	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+2K-H"	76.91904
"602287"	1368.06234	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+2K-H"	76.91904
"1094818"	507.30014	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2K-H"	76.91904
"151636"	469.344258	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"2M+2K"	77.926316
"594842"	684.534808	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"3M+2K"	77.926316
"1078626"	254.153708	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2K"	77.926316
"1109282"	509.314692	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2K+H"	78.933592
"1344571"	509.402307	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+DMSO+H"	79.021207
"1017477"	513.441476	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2ACN+H"	83.060376
"1533779"	514.435108	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+IsoProp+Na+H"	84.054008
"1001322"	257.224376	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+2ACN+2H"	84.067652
"1596915"	515.349728	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+K+HCOOH"	84.968628
"1419295"	545.381238	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+H+CF3COOH"	115.000138
"1148488"	277.737651	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+3ACN+2H"	125.094202
"1700231"	562.407785	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+NH4+CF3COOH"	132.026685
"1636975"	567.36318	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+Na+CF3COOH"	136.98208
"1577000"	583.33712	"C04814"	"4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol"	"C29H50O2"	"430.3811"	"M+K+CF3COOH"	152.95602
"804448"	158.0579	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M"	0
"977980"	139.03951	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-H2O-H"	-19.01839
"75706"	104.364657333333	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M-3H"	-3.021828
"517093"	157.050624	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M-3H"	-3.021828
"895598"	51.6786906666667	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-3H"	-3.021828
"11645"	157.050624	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M-2H"	-2.014552
"449018"	236.079574	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M-2H"	-2.014552
"820259"	78.021674	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-2H"	-2.014552
"82437"	315.108524	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M-H"	-1.007276
"523090"	473.166424	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M-H"	-1.007276
"903078"	157.050624	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-H"	-1.007276
"56359"	332.135071	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M-2H+NH4"	16.019271
"498108"	490.192971	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M-2H+NH4"	16.019271
"868255"	174.077171	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-2H+NH4"	16.019271
"33967"	337.090466	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M-2H+Na"	20.974666
"473531"	495.148366	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M-2H+Na"	20.974666
"858988"	179.032566	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-2H+Na"	20.974666
"1626334"	179.032566	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Na-2H"	20.974666
"105051"	175.038963	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M-H+Cl"	33.962126
"546802"	254.067913	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M-H+Cl"	33.962126
"940317"	96.010013	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-H+Cl"	33.962126
"278872"	351.085202	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+Cl"	34.969402
"672397"	509.143102	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+Cl"	34.969402
"1284800"	193.027302	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Cl"	34.969402
"28445"	353.064406	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M-2H+K"	36.948606
"465818"	511.122306	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M-2H+K"	36.948606
"842527"	195.006506	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-2H+K"	36.948606
"1558726"	195.006506	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+K-2H"	36.948606
"949526"	203.056094	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-H+HCOOH"	44.998194
"367741"	361.114001	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+HCOOH-H"	44.998201
"354907"	375.129651	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+Hac-H"	59.013851
"1502281"	217.071751	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Hac-H"	59.013851
"968728"	225.038051	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-H+NaCOOH"	66.980151
"120917"	193.027302	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+2Cl"	69.938804
"563031"	272.056252	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+2Cl"	69.938804
"1035476"	113.998352	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2Cl"	69.938804
"1255784"	236.976785	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Br"	78.918885
"1316774"	239.032772	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Cl+HCOOH"	80.974872
"1330261"	261.014729	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Cl+NaCOOH"	102.956829
"920226"	271.043486	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M-H+CF3COOH"	112.985586
"1299122"	307.020164	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Cl+CF3COOH"	148.962264
"1376190"	123.045224	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H-2H2O"	-35.012676
"1387125"	141.0552	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H-H2O"	-17.0027
"293373"	317.123076	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+H"	1.007276
"685795"	475.180976	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+H"	1.007276
"1363239"	159.065176	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H"	1.007276
"137220"	159.065176	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+2H"	2.014552
"577144"	238.094126	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+2H"	2.014552
"1049597"	80.036226	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2H"	2.014552
"218229"	106.379209333333	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+3H"	3.021828
"657060"	159.065176	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+3H"	3.021828
"1175189"	53.6932426666667	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+3H"	3.021828
"437737"	334.149623	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+NH4"	18.033823
"798731"	492.207523	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+NH4"	18.033823
"1691783"	176.091723	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+NH4"	18.033823
"337874"	167.5784495	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+H+NH4"	19.041099
"732482"	246.6073995	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+H+NH4"	19.041099
"1488490"	88.5494995	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H+NH4"	19.041099
"404984"	339.105018	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+Na"	22.989218
"765978"	497.162918	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+Na"	22.989218
"1614075"	181.047118	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Na"	22.989218
"324111"	170.056147	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+H+Na"	23.996494
"717625"	249.085097	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+H+Na"	23.996494
"1467073"	91.027197	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H+Na"	23.996494
"1062505"	61.0205566666667	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2H+Na"	25.00377
"1269649"	191.091386	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+CH3OH+H"	33.033486
"388222"	355.078958	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+K"	38.963158
"741926"	513.136858	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+K"	38.963158
"1552375"	197.021058	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+K"	38.963158
"307366"	178.043117	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+H+K"	39.970434
"698694"	257.072067	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+H+K"	39.970434
"1453607"	99.014167	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H+K"	39.970434
"242208"	358.149626	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+ACN+H"	42.033826
"1218199"	200.091726	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+ACN+H"	42.033826
"1204270"	100.549501	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+ACN+2H"	43.041102
"198236"	361.08696	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+2Na-H"	44.97116
"636698"	519.14486	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+2Na-H"	44.97116
"1138021"	203.02906	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2Na-H"	44.97116
"182408"	181.047118	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+2Na"	45.978436
"625978"	260.076068	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+2Na"	45.978436
"1130337"	102.018168	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2Na"	45.978436
"1411915"	68.3478706666667	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H+2Na"	46.985712
"1442942"	205.070646	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H+HCOOH"	47.012746
"234461"	186.08014	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+3H2O+2H"	56.04448
"1523981"	219.12269	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+IsoProp+H"	61.06479
"423915"	189.034088	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+Na+K"	61.952376
"784301"	268.063038	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+Na+K"	61.952376
"1679169"	110.005138	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Na+K"	61.952376
"266790"	380.131568	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+ACN+Na"	64.015768
"1237677"	222.073668	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+ACN+Na"	64.015768
"1725834"	222.097193	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+NH4+HCOOH"	64.039293
"1192645"	75.6751846666667	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+3Na"	68.967654
"1657800"	227.052588	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Na+HCOOH"	68.994688
"169036"	393.03484	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+2K-H"	76.91904
"602398"	551.09274	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+2K-H"	76.91904
"1094929"	234.97694	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2K-H"	76.91904
"150653"	197.021058	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"2M+2K"	77.926316
"589848"	276.050008	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"3M+2K"	77.926316
"1080923"	117.992108	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2K"	77.926316
"1108663"	236.991492	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2K+H"	78.933592
"1345045"	237.079107	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+DMSO+H"	79.021207
"1016494"	241.118276	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2ACN+H"	83.060376
"1532797"	242.111908	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+IsoProp+Na+H"	84.054008
"1001431"	121.062776	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+2ACN+2H"	84.067652
"1598120"	243.026528	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+K+HCOOH"	84.968628
"1420500"	273.058038	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+H+CF3COOH"	115.000138
"1149692"	141.576051	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+3ACN+2H"	125.094202
"1700341"	290.084585	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+NH4+CF3COOH"	132.026685
"1637085"	295.03998	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+Na+CF3COOH"	136.98208
"1577110"	311.01392	"C04815"	"5-D-(56)-5-C-(Hydroxymethyl)-26-dihydroxycyclohex-2-en-1-one;5D-(56)-5-C-(Hydroxymethyl)-26-dihydroxy-2-cyclohexen-1-one"	"C7H10O4"	"158.0579"	"M+K+CF3COOH"	152.95602
"803104"	1042.4918	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M"	0
"985392"	1023.47341	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-H2O-H"	-19.01839
"76188"	693.987257333333	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M-3H"	-3.021828
"516474"	1041.484524	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M-3H"	-3.021828
"887712"	346.489990666667	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-3H"	-3.021828
"14307"	1041.484524	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M-2H"	-2.014552
"452408"	1562.730424	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M-2H"	-2.014552
"822556"	520.238624	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-2H"	-2.014552
"88014"	2083.976324	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M-H"	-1.007276
"529396"	3126.468124	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M-H"	-1.007276
"905375"	1041.484524	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-H"	-1.007276
"58656"	2101.002871	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M-2H+NH4"	16.019271
"496031"	3143.494671	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M-2H+NH4"	16.019271
"871646"	1058.511071	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-2H+NH4"	16.019271
"39547"	2105.958266	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M-2H+Na"	20.974666
"474735"	3148.450066	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M-2H+Na"	20.974666
"855815"	1063.466466	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-2H+Na"	20.974666
"1626446"	1063.466466	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Na-2H"	20.974666
"108080"	1059.472863	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M-H+Cl"	33.962126
"545820"	1580.718763	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M-H+Cl"	33.962126
"941163"	538.226963	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-H+Cl"	33.962126
"281911"	2119.953002	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+Cl"	34.969402
"674450"	3162.444802	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+Cl"	34.969402
"1284910"	1077.461202	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Cl"	34.969402
"29652"	2121.932206	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M-2H+K"	36.948606
"463742"	3164.424006	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M-2H+K"	36.948606
"848471"	1079.440406	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-2H+K"	36.948606
"1560659"	1079.440406	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+K-2H"	36.948606
"947446"	1087.489994	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-H+HCOOH"	44.998194
"372955"	2129.981801	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+HCOOH-H"	44.998201
"349548"	2143.997451	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+Hac-H"	59.013851
"1506765"	1101.505651	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Hac-H"	59.013851
"969932"	1109.471951	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-H+NaCOOH"	66.980151
"119932"	1077.461202	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+2Cl"	69.938804
"563141"	1598.707102	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+2Cl"	69.938804
"1030847"	556.215302	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2Cl"	69.938804
"1252613"	1121.410685	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Br"	78.918885
"1315062"	1123.466672	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Cl+HCOOH"	80.974872
"1329278"	1145.448629	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Cl+NaCOOH"	102.956829
"924711"	1155.477386	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M-H+CF3COOH"	112.985586
"1303243"	1191.454064	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Cl+CF3COOH"	148.962264
"1375207"	1007.479124	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H-2H2O"	-35.012676
"1391609"	1025.4891	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H-H2O"	-17.0027
"296764"	2085.990876	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+H"	1.007276
"688093"	3128.482676	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+H"	1.007276
"1362254"	1043.499076	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H"	1.007276
"136238"	1043.499076	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+2H"	2.014552
"572521"	1564.744976	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+2H"	2.014552
"1048979"	522.253176	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2H"	2.014552
"217611"	696.001809333333	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+3H"	3.021828
"655346"	1043.499076	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+3H"	3.021828
"1171286"	348.504542666667	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+3H"	3.021828
"435655"	2103.017423	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+NH4"	18.033823
"795198"	3145.509223	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+NH4"	18.033823
"1688614"	1060.525623	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+NH4"	18.033823
"341265"	1052.0123495	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+H+NH4"	19.041099
"730405"	1573.2582495	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+H+NH4"	19.041099
"1487506"	530.7664495	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H+NH4"	19.041099
"404001"	2107.972818	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+Na"	22.989218
"767182"	3150.464618	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+Na"	22.989218
"1606530"	1065.481018	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Na"	22.989218
"320941"	1054.490047	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+H+Na"	23.996494
"714456"	1575.735947	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+H+Na"	23.996494
"1469370"	533.244147	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H+Na"	23.996494
"1062615"	355.831856666667	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2H+Na"	25.00377
"1261012"	1075.525286	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+CH3OH+H"	33.033486
"385063"	2123.946758	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+K"	38.963158
"743143"	3166.438558	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+K"	38.963158
"1543010"	1081.454958	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+K"	38.963158
"309663"	1062.477017	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+H+K"	39.970434
"697710"	1583.722917	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+H+K"	39.970434
"1451530"	541.231117	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H+K"	39.970434
"242319"	2127.017426	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+ACN+H"	42.033826
"1217216"	1084.525626	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+ACN+H"	42.033826
"1198911"	542.766451	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+ACN+2H"	43.041102
"197250"	2129.95476	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+2Na-H"	44.97116
"635718"	3172.44656	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+2Na-H"	44.97116
"1134123"	1087.46296	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2Na-H"	44.97116
"174981"	1065.481018	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+2Na"	45.978436
"618068"	1586.726918	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+2Na"	45.978436
"1126677"	544.235118	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2Na"	45.978436
"1412392"	363.159170666667	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H+2Na"	46.985712
"1440132"	1089.504546	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H+HCOOH"	47.012746
"233843"	1070.51404	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+3H2O+2H"	56.04448
"1522995"	1103.55659	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+IsoProp+H"	61.06479
"422322"	1073.467988	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+Na+K"	61.952376
"785012"	1594.713888	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+Na+K"	61.952376
"1678921"	552.222088	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Na+K"	61.952376
"265800"	2148.999368	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+ACN+Na"	64.015768
"1239609"	1106.507568	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+ACN+Na"	64.015768
"1725944"	1106.531093	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+NH4+HCOOH"	64.039293
"1184006"	370.486484666667	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+3Na"	68.967654
"1658270"	1111.486488	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Na+HCOOH"	68.994688
"162948"	2161.90264	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+2K-H"	76.91904
"602508"	3204.39444	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+2K-H"	76.91904
"1091397"	1119.41084	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2K-H"	76.91904
"150400"	1081.454958	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"2M+2K"	77.926316
"587772"	1602.700858	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"3M+2K"	77.926316
"1079939"	560.209058	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2K"	77.926316
"1107676"	1121.425392	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2K+H"	78.933592
"1344062"	1121.513007	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+DMSO+H"	79.021207
"1016968"	1125.552176	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2ACN+H"	83.060376
"1532906"	1126.545808	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+IsoProp+Na+H"	84.054008
"1001541"	563.279726	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+2ACN+2H"	84.067652
"1592763"	1127.460428	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+K+HCOOH"	84.968628
"1421702"	1157.491938	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+H+CF3COOH"	115.000138
"1151990"	583.793001	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+3ACN+2H"	125.094202
"1701545"	1174.518485	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+NH4+CF3COOH"	132.026685
"1636102"	1179.47388	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+Na+CF3COOH"	136.98208
"1582691"	1195.44782	"C04819"	"beta-D-Galactosyl-beta-14-N-acetyl-D-glucosaminylglycopeptide"	"C42H74N8O22"	"1042.4918"	"M+K+CF3COOH"	152.95602
"803214"	336.2301	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M"	0
"988781"	317.21171	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"77150"	223.146124	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"516587"	335.222824	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"894383"	111.069424	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"12959"	335.222824	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"452518"	503.337874	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"824852"	167.107774	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"90676"	671.452924	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"528778"	1007.683024	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"907308"	335.222824	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"56579"	688.479471	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"493953"	1024.709571	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"869568"	352.249371	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"39655"	693.434866	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"473751"	1029.664966	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"853738"	357.204766	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1626556"	357.204766	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"107097"	353.211163	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"541556"	521.326213	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"940544"	185.096113	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"281895"	707.429602	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"673343"	1043.659702	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1287695"	371.199502	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"30818"	709.408806	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"467133"	1045.638906	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"844935"	373.178706	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1562954"	373.178706	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"945370"	381.228294	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"366866"	717.458401	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"352938"	731.474051	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1499584"	395.243951	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"966031"	403.210251	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"120042"	371.199502	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"562887"	539.314552	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1033143"	203.084452	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1255639"	415.148985	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1315173"	417.204972	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1326109"	439.186929	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"920448"	449.215686	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1300435"	485.192364	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1372036"	301.217424	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1390625"	319.2274	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"292499"	673.467476	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"684921"	1009.697576	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1357988"	337.237376	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"137439"	337.237376	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"577007"	505.352426	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1049087"	169.122326	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"217721"	225.160676	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"653269"	337.237376	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1174678"	113.083976	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"436494"	690.494023	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"794215"	1026.724123	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1690911"	354.263923	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"341374"	345.7506495	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"729422"	513.8656995	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1487616"	177.6355995	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"405204"	695.449418	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"765104"	1031.679518	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1607735"	359.219318	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"321053"	348.228347	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"714566"	516.343397	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1468387"	180.113297	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1063818"	120.41129	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1261122"	369.263586	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"385174"	711.423358	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"742889"	1047.653458	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1544941"	375.193258	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"306490"	356.215317	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"694540"	524.330367	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1451641"	188.100267	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"239149"	714.494026	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1217326"	378.263926	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1204489"	189.635601	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"199548"	717.43136	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"635829"	1053.66146	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1136420"	381.20126	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"180440"	359.219318	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"627417"	527.334368	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1127520"	191.104268	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1411045"	127.738604	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1442795"	383.242846	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"232859"	364.25234	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1522380"	397.29489	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"421700"	367.206288	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"784274"	535.321338	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1677935"	199.091238	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"265183"	736.475968	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1239352"	400.245868	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1725323"	400.269393	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1183024"	135.065918	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1655101"	405.224788	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"164151"	749.37924	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"604806"	1085.60934	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1090413"	413.14914	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"146135"	375.193258	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"586790"	543.308308	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1081872"	207.078208	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1100618"	415.163692	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1344172"	415.251307	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1012705"	419.290476	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1530829"	420.284108	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"1000559"	210.148876	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1595059"	421.198728	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1418534"	451.230238	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1152100"	230.662151	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1699468"	468.256785	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1636212"	473.21218	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1582801"	489.18612	"C04822"	"8(R)-HPETE;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroperoxyicosa-591114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"806604"	454.0737	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M"	0
"988527"	435.05531	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-H2O-H"	-19.01839
"77132"	301.708524	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M-3H"	-3.021828
"515604"	453.066424	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M-3H"	-3.021828
"895108"	150.350624	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-3H"	-3.021828
"14773"	453.066424	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M-2H"	-2.014552
"452628"	680.103274	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M-2H"	-2.014552
"821683"	226.029574	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-2H"	-2.014552
"91150"	907.140124	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M-H"	-1.007276
"526700"	1361.213824	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M-H"	-1.007276
"906688"	453.066424	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-H"	-1.007276
"55595"	924.166671	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M-2H+NH4"	16.019271
"492969"	1378.240371	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M-2H+NH4"	16.019271
"868585"	470.092971	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-2H+NH4"	16.019271
"36485"	929.122066	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M-2H+Na"	20.974666
"473861"	1383.195766	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M-2H+Na"	20.974666
"856035"	475.048366	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-2H+Na"	20.974666
"1626666"	475.048366	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Na-2H"	20.974666
"102103"	471.054763	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M-H+Cl"	33.962126
"541666"	698.091613	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M-H+Cl"	33.962126
"938468"	244.017913	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-H+Cl"	33.962126
"280792"	943.116802	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+Cl"	34.969402
"672726"	1397.190502	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+Cl"	34.969402
"1284035"	489.043102	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Cl"	34.969402
"29872"	945.096006	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M-2H+K"	36.948606
"466150"	1399.169706	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M-2H+K"	36.948606
"842858"	491.022306	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-2H+K"	36.948606
"1557961"	491.022306	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+K-2H"	36.948606
"946574"	499.071894	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-H+HCOOH"	44.998194
"368070"	953.145601	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+HCOOH-H"	44.998201
"348674"	967.161251	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+Hac-H"	59.013851
"1497506"	513.087551	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Hac-H"	59.013851
"966141"	521.053851	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-H+NaCOOH"	66.980151
"123434"	489.043102	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+2Cl"	69.938804
"564455"	716.079952	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+2Cl"	69.938804
"1036660"	262.006252	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2Cl"	69.938804
"1255020"	532.992585	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Br"	78.918885
"1312003"	535.048572	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Cl+HCOOH"	80.974872
"1326219"	557.030529	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Cl+NaCOOH"	102.956829
"921651"	567.059286	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M-H+CF3COOH"	112.985586
"1299452"	603.035964	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Cl+CF3COOH"	148.962264
"1371053"	419.061024	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H-2H2O"	-35.012676
"1387455"	437.071	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H-H2O"	-17.0027
"292609"	909.154676	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+H"	1.007276
"685031"	1363.228376	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+H"	1.007276
"1359192"	455.080976	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H"	1.007276
"136458"	455.080976	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+2H"	2.014552
"577117"	682.117826	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+2H"	2.014552
"1050290"	228.044126	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2H"	2.014552
"218801"	303.723076	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+3H"	3.021828
"656659"	455.080976	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+3H"	3.021828
"1175882"	152.365176	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+3H"	3.021828
"433693"	926.181223	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+NH4"	18.033823
"793597"	1380.254923	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+NH4"	18.033823
"1691749"	472.107523	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+NH4"	18.033823
"339297"	463.5942495	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+H+NH4"	19.041099
"725158"	690.6310995	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+H+NH4"	19.041099
"1486634"	236.5573995	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H+NH4"	19.041099
"404951"	931.136618	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+Na"	22.989218
"765215"	1385.210318	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+Na"	22.989218
"1608939"	477.062918	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Na"	22.989218
"322256"	466.071947	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+H+Na"	23.996494
"715769"	693.108797	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+H+Na"	23.996494
"1469592"	239.035097	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H+Na"	23.996494
"1063929"	159.69249	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2H+Na"	25.00377
"1269977"	487.107186	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+CH3OH+H"	33.033486
"380907"	947.110558	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+K"	38.963158
"748467"	1401.184258	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+K"	38.963158
"1542865"	493.036858	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+K"	38.963158
"306600"	474.058917	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+H+K"	39.970434
"693557"	701.095767	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+H+K"	39.970434
"1450657"	247.022067	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H+K"	39.970434
"238166"	950.181226	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+ACN+H"	42.033826
"1215250"	496.107526	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+ACN+H"	42.033826
"1201319"	248.557401	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+ACN+2H"	43.041102
"196378"	953.11856	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+2Na-H"	44.97116
"631566"	1407.19226	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+2Na-H"	44.97116
"1135437"	499.04486	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2Na-H"	44.97116
"182738"	477.062918	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+2Na"	45.978436
"624854"	704.099768	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+2Na"	45.978436
"1128358"	250.026068	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2Na"	45.978436
"1411884"	167.019804	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H+2Na"	46.985712
"1442904"	501.086446	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H+HCOOH"	47.012746
"232238"	482.09594	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+3H2O+2H"	56.04448
"1522733"	515.13849	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+IsoProp+H"	61.06479
"419990"	485.049888	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+Na+K"	61.952376
"784383"	712.086738	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+Na+K"	61.952376
"1678410"	258.013038	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Na+K"	61.952376
"264562"	972.163168	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+ACN+Na"	64.015768
"1237276"	518.089468	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+ACN+Na"	64.015768
"1723247"	518.112993	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+NH4+HCOOH"	64.039293
"1184228"	174.347118	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+3Na"	68.967654
"1655212"	523.068388	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Na+HCOOH"	68.994688
"165352"	985.06644	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+2K-H"	76.91904
"601634"	1439.14014	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+2K-H"	76.91904
"1090523"	530.99274	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2K-H"	76.91904
"144058"	493.036858	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"2M+2K"	77.926316
"584713"	720.073708	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"3M+2K"	77.926316
"1079066"	266.000008	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2K"	77.926316
"1100239"	533.007292	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2K+H"	78.933592
"1343189"	533.094907	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+DMSO+H"	79.021207
"1017188"	537.134076	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2ACN+H"	83.060376
"1532031"	538.127708	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+IsoProp+Na+H"	84.054008
"1001761"	269.070676	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+2ACN+2H"	84.067652
"1598449"	539.042328	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+K+HCOOH"	84.968628
"1419734"	569.073838	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+H+CF3COOH"	115.000138
"1155489"	289.583951	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+3ACN+2H"	125.094202
"1698485"	586.100385	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+NH4+CF3COOH"	132.026685
"1635956"	591.05578	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+Na+CF3COOH"	136.98208
"1582911"	607.02972	"C04823"	"1-(5-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole;1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole;5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;(S)-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamidosuccinate;SAICAR"	"C13H19N4O12P"	"454.0737"	"M+K+CF3COOH"	152.95602
"803434"	711.4323	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M"	0
"987908"	692.41391	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-H2O-H"	-19.01839
"77245"	473.280924	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M-3H"	-3.021828
"518145"	710.425024	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M-3H"	-3.021828
"895531"	236.136824	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-3H"	-3.021828
"14276"	710.425024	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M-2H"	-2.014552
"448369"	1066.141174	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M-2H"	-2.014552
"830298"	354.708874	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-2H"	-2.014552
"91260"	1421.857324	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M-H"	-1.007276
"528633"	2133.289624	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M-H"	-1.007276
"907893"	710.425024	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-H"	-1.007276
"58623"	1438.883871	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M-2H+NH4"	16.019271
"497455"	2150.316171	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M-2H+NH4"	16.019271
"875257"	727.451571	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-2H+NH4"	16.019271
"36597"	1443.839266	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M-2H+Na"	20.974666
"474214"	2155.271566	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M-2H+Na"	20.974666
"855052"	732.406966	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-2H+Na"	20.974666
"1628964"	732.406966	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Na-2H"	20.974666
"109427"	728.413363	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M-H+Cl"	33.962126
"546159"	1084.129513	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M-H+Cl"	33.962126
"940040"	372.697213	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-H+Cl"	33.962126
"277136"	1457.834002	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+Cl"	34.969402
"673566"	2169.266302	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+Cl"	34.969402
"1281959"	746.401702	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Cl"	34.969402
"26700"	1459.813206	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M-2H+K"	36.948606
"467354"	2171.245506	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M-2H+K"	36.948606
"844062"	748.380906	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-2H+K"	36.948606
"1562084"	748.380906	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+K-2H"	36.948606
"953247"	756.430494	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-H+HCOOH"	44.998194
"374743"	1467.862801	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+HCOOH-H"	44.998201
"355347"	1481.878451	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+Hac-H"	59.013851
"1503085"	770.446151	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Hac-H"	59.013851
"971723"	778.412451	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-H+NaCOOH"	66.980151
"123544"	746.401702	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+2Cl"	69.938804
"565544"	1102.117852	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+2Cl"	69.938804
"1037014"	390.685552	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2Cl"	69.938804
"1256223"	790.351185	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Br"	78.918885
"1309928"	792.407172	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Cl+HCOOH"	80.974872
"1328517"	814.389129	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Cl+NaCOOH"	102.956829
"924315"	824.417886	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M-H+CF3COOH"	112.985586
"1298470"	860.394564	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Cl+CF3COOH"	148.962264
"1377725"	676.419624	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H-2H2O"	-35.012676
"1393033"	694.4296	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H-H2O"	-17.0027
"296001"	1423.871876	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+H"	1.007276
"685142"	2135.304176	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+H"	1.007276
"1364773"	712.439576	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H"	1.007276
"139123"	712.439576	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+2H"	2.014552
"577231"	1068.155726	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+2H"	2.014552
"1047126"	356.723426	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2H"	2.014552
"216122"	475.295476	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+3H"	3.021828
"654591"	712.439576	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+3H"	3.021828
"1174902"	238.151376	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+3H"	3.021828
"437083"	1440.898423	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+NH4"	18.033823
"797714"	2152.330723	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+NH4"	18.033823
"1691130"	729.466123	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+NH4"	18.033823
"333941"	720.9528495	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+H+NH4"	19.041099
"725269"	1076.6689995	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+H+NH4"	19.041099
"1479452"	365.2366995	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H+NH4"	19.041099
"397769"	1445.853818	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+Na"	22.989218
"758763"	2157.286118	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+Na"	22.989218
"1609049"	734.421518	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Na"	22.989218
"321273"	723.430547	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+H+Na"	23.996494
"712600"	1079.146697	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+H+Na"	23.996494
"1467516"	367.714397	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H+Na"	23.996494
"1066225"	245.47869	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2H+Na"	25.00377
"1271186"	744.465786	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+CH3OH+H"	33.033486
"391219"	1461.827758	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+K"	38.963158
"742016"	2173.260058	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+K"	38.963158
"1541884"	750.395458	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+K"	38.963158
"308898"	731.417517	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+H+K"	39.970434
"700226"	1087.133667	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+H+K"	39.970434
"1446761"	375.701367	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H+K"	39.970434
"238643"	1464.898426	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+ACN+H"	42.033826
"1214268"	753.466126	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+ACN+H"	42.033826
"1200337"	377.236701	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+ACN+2H"	43.041102
"197583"	1467.83576	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+2Na-H"	44.97116
"636050"	2179.26806	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+2Na-H"	44.97116
"1137370"	756.40346	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2Na-H"	44.97116
"184671"	734.421518	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+2Na"	45.978436
"624600"	1090.137668	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+2Na"	45.978436
"1128105"	378.705368	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2Na"	45.978436
"1411269"	252.806004	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H+2Na"	46.985712
"1444352"	758.445046	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H+HCOOH"	47.012746
"233805"	739.45454	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+3H2O+2H"	56.04448
"1521144"	772.49709	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+IsoProp+H"	61.06479
"417914"	742.408488	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+Na+K"	61.952376
"782188"	1098.124638	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+Na+K"	61.952376
"1678155"	386.692338	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Na+K"	61.952376
"264675"	1486.880368	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+ACN+Na"	64.015768
"1239937"	775.448068	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+ACN+Na"	64.015768
"1726879"	775.471593	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+NH4+HCOOH"	64.039293
"1181057"	260.133318	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+3Na"	68.967654
"1655322"	780.426988	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Na+HCOOH"	68.994688
"162183"	1499.78364	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+2K-H"	76.91904
"602838"	2211.21594	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+2K-H"	76.91904
"1090633"	788.35134	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2K-H"	76.91904
"146354"	750.395458	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"2M+2K"	77.926316
"591384"	1106.111608	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"3M+2K"	77.926316
"1071518"	394.679308	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2K"	77.926316
"1100086"	790.365892	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2K+H"	78.933592
"1336980"	790.453507	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+DMSO+H"	79.021207
"1017296"	794.492676	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2ACN+H"	83.060376
"1525213"	795.486308	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+IsoProp+Na+H"	84.054008
"997497"	397.749976	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+2ACN+2H"	84.067652
"1588718"	796.400928	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+K+HCOOH"	84.968628
"1419845"	826.432438	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+H+CF3COOH"	115.000138
"1152320"	418.263251	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+3ACN+2H"	125.094202
"1698958"	843.458985	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+NH4+CF3COOH"	132.026685
"1637525"	848.41438	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+Na+CF3COOH"	136.98208
"1583021"	864.38832	"C04824"	"Lipid X;23-Diacylglucosamine 1-phosphate;23-Bis(3R)-3-hydroxymyristoyl-alpha-D-glucosaminyl 1-phosphate;23-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate"	"C34H66NO12P"	"711.4323"	"M+K+CF3COOH"	152.95602
"806827"	1291.764	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M"	0
"986925"	1272.74561	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H2O-H"	-19.01839
"78207"	860.168724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-3H"	-3.021828
"518175"	1290.756724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-3H"	-3.021828
"894717"	429.580724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-3H"	-3.021828
"13290"	1290.756724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H"	-2.014552
"455039"	1936.638724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H"	-2.014552
"827370"	644.874724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H"	-2.014552
"92463"	2582.520724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H"	-1.007276
"526920"	3874.284724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-H"	-1.007276
"905815"	1290.756724	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H"	-1.007276
"56910"	2599.547271	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+NH4"	16.019271
"493190"	3891.311271	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+NH4"	16.019271
"865770"	1307.783271	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+NH4"	16.019271
"32576"	2604.502666	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+Na"	20.974666
"485874"	3896.266666	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+Na"	20.974666
"859546"	1312.738666	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+Na"	20.974666
"1630905"	1312.738666	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na-2H"	20.974666
"104520"	1308.745063	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H+Cl"	33.962126
"547360"	1954.627063	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-H+Cl"	33.962126
"941239"	662.863063	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+Cl"	33.962126
"281739"	2618.497402	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Cl"	34.969402
"673314"	3910.261402	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Cl"	34.969402
"1285349"	1326.733402	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl"	34.969402
"26811"	2620.476606	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+K"	36.948606
"469653"	3912.240606	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+K"	36.948606
"844171"	1328.712606	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+K"	36.948606
"1562193"	1328.712606	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K-2H"	36.948606
"955911"	1336.762194	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+HCOOH"	44.998194
"369385"	2628.526201	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+HCOOH-H"	44.998201
"355457"	2642.541851	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Hac-H"	59.013851
"1505020"	1350.777851	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Hac-H"	59.013851
"972204"	1358.744151	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+NaCOOH"	66.980151
"124996"	1326.733402	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Cl"	69.938804
"562492"	1972.615402	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Cl"	69.938804
"1032385"	680.851402	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Cl"	69.938804
"1248683"	1370.682885	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Br"	78.918885
"1315505"	1372.738872	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+HCOOH"	80.974872
"1333731"	1394.720829	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+NaCOOH"	102.956829
"925154"	1404.749586	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+CF3COOH"	112.985586
"1300767"	1440.726264	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+CF3COOH"	148.962264
"1375647"	1256.751324	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H-2H2O"	-35.012676
"1389868"	1274.7613	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H-H2O"	-17.0027
"296116"	2584.535276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H"	1.007276
"686352"	3876.299276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H"	1.007276
"1357235"	1292.771276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H"	1.007276
"133404"	1292.771276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2H"	2.014552
"576247"	1938.653276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2H"	2.014552
"1047236"	646.889276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2H"	2.014552
"216230"	862.183276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H"	3.021828
"658343"	1292.771276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+3H"	3.021828
"1172828"	431.595276	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3H"	3.021828
"436466"	2601.561823	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+NH4"	18.033823
"796004"	3893.325823	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+NH4"	18.033823
"1685772"	1309.797823	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4"	18.033823
"332592"	1301.2845495	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+NH4"	19.041099
"728659"	1947.1665495	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+NH4"	19.041099
"1480293"	655.4025495	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+NH4"	19.041099
"400066"	2606.517218	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Na"	22.989218
"755954"	3898.281218	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na"	22.989218
"1606970"	1314.753218	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na"	22.989218
"322477"	1303.762247	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+Na"	23.996494
"715990"	1949.644247	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+Na"	23.996494
"1468715"	657.880247	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+Na"	23.996494
"1060864"	438.92259	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2H+Na"	25.00377
"1263641"	1324.797486	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+CH3OH+H"	33.033486
"378211"	2622.491158	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+K"	38.963158
"742124"	3914.255158	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+K"	38.963158
"1548550"	1330.727158	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K"	38.963158
"303539"	1311.749217	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+K"	39.970434
"692316"	1957.631217	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+K"	39.970434
"1450877"	665.867217	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+K"	39.970434
"239483"	2625.561826	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+H"	42.033826
"1216565"	1333.797826	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+H"	42.033826
"1203731"	667.402551	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+2H"	43.041102
"195505"	2628.49916	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na-H"	44.97116
"632880"	3920.26316	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na-H"	44.97116
"1139669"	1336.73516	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Na-H"	44.97116
"184053"	1314.753218	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na"	45.978436
"626531"	1960.635218	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na"	45.978436
"1127120"	668.871218	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Na"	45.978436
"1412592"	446.249904	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+2Na"	46.985712
"1444829"	1338.776746	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+HCOOH"	47.012746
"233552"	1319.78624	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H2O+2H"	56.04448
"1523195"	1352.82879	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+IsoProp+H"	61.06479
"423856"	1322.740188	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Na+K"	61.952376
"784971"	1968.622188	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na+K"	61.952376
"1680209"	676.858188	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+K"	61.952376
"264787"	2647.543768	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+Na"	64.015768
"1234578"	1355.779768	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+Na"	64.015768
"1717998"	1355.803293	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+HCOOH"	64.039293
"1189913"	453.577218	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3Na"	68.967654
"1656524"	1360.758688	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+HCOOH"	68.994688
"164479"	2660.44704	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K-H"	76.91904
"602945"	3952.21104	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K-H"	76.91904
"1088554"	1368.68304	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K-H"	76.91904
"149745"	1330.727158	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K"	77.926316
"588208"	1976.609158	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K"	77.926316
"1078191"	684.845158	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K"	77.926316
"1109211"	1370.697592	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K+H"	78.933592
"1344504"	1370.785207	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+DMSO+H"	79.021207
"1016314"	1374.824376	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+H"	83.060376
"1534437"	1375.818008	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+IsoProp+Na+H"	84.054008
"998699"	687.915826	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+2H"	84.067652
"1598671"	1376.732628	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K+HCOOH"	84.968628
"1426515"	1406.764138	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+CF3COOH"	115.000138
"1148063"	708.429101	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3ACN+2H"	125.094202
"1700897"	1423.790685	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+CF3COOH"	132.026685
"1642014"	1428.74608	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+CF3COOH"	136.98208
"1583133"	1444.72002	"C04830"	"beta-D-Glucosyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K+CF3COOH"	152.95602
"810217"	373.1009	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M"	0
"989755"	354.08251	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-H2O-H"	-19.01839
"76735"	247.726657333333	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M-3H"	-3.021828
"517752"	372.093624	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M-3H"	-3.021828
"894458"	123.359690666667	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-3H"	-3.021828
"12305"	372.093624	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M-2H"	-2.014552
"449678"	558.644074	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M-2H"	-2.014552
"827480"	185.543174	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-2H"	-2.014552
"90750"	745.194524	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M-H"	-1.007276
"532863"	1118.295424	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M-H"	-1.007276
"909571"	372.093624	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-H"	-1.007276
"54833"	762.221071	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M-2H+NH4"	16.019271
"494394"	1135.321971	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M-2H+NH4"	16.019271
"868916"	389.120171	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-2H+NH4"	16.019271
"35722"	767.176466	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M-2H+Na"	20.974666
"474553"	1140.277366	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M-2H+Na"	20.974666
"858560"	394.075566	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-2H+Na"	20.974666
"1633933"	394.075566	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Na-2H"	20.974666
"109535"	390.081963	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M-H+Cl"	33.962126
"548563"	576.632413	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M-H+Cl"	33.962126
"942485"	203.531513	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-H+Cl"	33.962126
"280631"	781.171202	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+Cl"	34.969402
"673059"	1154.272102	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+Cl"	34.969402
"1288135"	408.070302	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Cl"	34.969402
"29107"	783.150406	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M-2H+K"	36.948606
"469763"	1156.251306	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M-2H+K"	36.948606
"843188"	410.049506	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-2H+K"	36.948606
"1564490"	410.049506	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+K-2H"	36.948606
"956749"	418.099094	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-H+HCOOH"	44.998194
"371682"	791.200001	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+HCOOH-H"	44.998201
"355567"	805.215651	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+Hac-H"	59.013851
"1503306"	432.114751	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Hac-H"	59.013851
"971948"	440.081051	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-H+NaCOOH"	66.980151
"125353"	408.070302	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+2Cl"	69.938804
"563697"	594.620752	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+2Cl"	69.938804
"1032495"	221.519852	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2Cl"	69.938804
"1252073"	452.019785	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Br"	78.918885
"1316708"	454.075772	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Cl+HCOOH"	80.974872
"1334205"	476.057729	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Cl+NaCOOH"	102.956829
"925993"	486.086486	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M-H+CF3COOH"	112.985586
"1301606"	522.063164	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Cl+CF3COOH"	148.962264
"1375757"	338.088224	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H-2H2O"	-35.012676
"1389978"	356.0982	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H-H2O"	-17.0027
"298048"	747.209076	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+H"	1.007276
"690470"	1120.309976	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+H"	1.007276
"1358438"	374.108176	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H"	1.007276
"134607"	374.108176	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+2H"	2.014552
"578543"	560.658626	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+2H"	2.014552
"1047347"	187.557726	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2H"	2.014552
"216341"	249.741209333333	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+3H"	3.021828
"657360"	374.108176	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+3H"	3.021828
"1177880"	125.374242666667	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+3H"	3.021828
"438396"	764.235623	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+NH4"	18.033823
"798300"	1137.336523	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+NH4"	18.033823
"1689162"	391.134723	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+NH4"	18.033823
"334160"	382.6214495	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+H+NH4"	19.041099
"733144"	569.1718995	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+H+NH4"	19.041099
"1483683"	196.0709995	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H+NH4"	19.041099
"400175"	769.191018	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+Na"	22.989218
"761168"	1142.291918	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+Na"	22.989218
"1610360"	396.090118	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Na"	22.989218
"323681"	385.099147	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+H+Na"	23.996494
"718654"	571.649597	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+H+Na"	23.996494
"1472106"	198.548697	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H+Na"	23.996494
"1063890"	132.701556666667	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2H+Na"	25.00377
"1267030"	406.134386	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+CH3OH+H"	33.033486
"379413"	785.164958	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+K"	38.963158
"743327"	1158.265858	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+K"	38.963158
"1542828"	412.064058	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+K"	38.963158
"306929"	393.086117	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+H+K"	39.970434
"692792"	579.636567	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+H+K"	39.970434
"1448435"	206.535667	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H+K"	39.970434
"240685"	788.235626	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+ACN+H"	42.033826
"1216674"	415.134726	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+ACN+H"	42.033826
"1202748"	208.071001	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+ACN+2H"	43.041102
"194522"	791.17296	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+2Na-H"	44.97116
"632990"	1164.27386	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+2Na-H"	44.97116
"1139779"	418.07206	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2Na-H"	44.97116
"184163"	396.090118	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+2Na"	45.978436
"627006"	582.640568	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+2Na"	45.978436
"1128324"	209.539668	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2Na"	45.978436
"1413756"	140.028870666667	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H+2Na"	46.985712
"1442507"	420.113646	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H+HCOOH"	47.012746
"234024"	401.12314	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+3H2O+2H"	56.04448
"1523911"	434.16569	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+IsoProp+H"	61.06479
"423233"	404.077088	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+Na+K"	61.952376
"784230"	590.627538	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+Na+K"	61.952376
"1679833"	217.526638	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Na+K"	61.952376
"262712"	810.217568	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+ACN+Na"	64.015768
"1234688"	437.116668	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+ACN+Na"	64.015768
"1721389"	437.140193	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+NH4+HCOOH"	64.039293
"1193181"	147.356184666667	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+3Na"	68.967654
"1659914"	442.095588	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Na+HCOOH"	68.994688
"165684"	823.12084	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+2K-H"	76.91904
"607429"	1196.22174	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+2K-H"	76.91904
"1090852"	450.01994	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2K-H"	76.91904
"155323"	412.064058	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"2M+2K"	77.926316
"590507"	598.614508	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"3M+2K"	77.926316
"1082676"	225.513608	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2K"	77.926316
"1110417"	452.034492	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2K+H"	78.933592
"1348991"	452.122107	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+DMSO+H"	79.021207
"1020437"	456.161276	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2ACN+H"	83.060376
"1538682"	457.154908	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+IsoProp+Na+H"	84.054008
"1000995"	228.584276	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+2ACN+2H"	84.067652
"1599874"	458.069528	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+K+HCOOH"	84.968628
"1429790"	488.101038	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+H+CF3COOH"	115.000138
"1149266"	249.097551	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+3ACN+2H"	125.094202
"1701007"	505.127585	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+NH4+CF3COOH"	132.026685
"1642124"	510.08298	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+Na+CF3COOH"	136.98208
"1583243"	526.05692	"C04831"	"DIMBOA-glucoside;24-Dihydroxy-7-methoxy-2H-14-benzoxazin-3(4H)-one 2-D-glucoside;24-Dihydroxy-7-methoxy-14-benzoxazin-3-one glucoside"	"C15H19NO10"	"373.1009"	"M+K+CF3COOH"	152.95602
"812521"	483.0456	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M"	0
"986052"	464.02721	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-H2O-H"	-19.01839
"74293"	321.023124	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M-3H"	-3.021828
"517377"	482.038324	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M-3H"	-3.021828
"894814"	160.007924	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-3H"	-3.021828
"13148"	482.038324	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M-2H"	-2.014552
"450883"	723.561124	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M-2H"	-2.014552
"830872"	240.515524	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-2H"	-2.014552
"90862"	965.083924	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M-H"	-1.007276
"530422"	1448.129524	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M-H"	-1.007276
"903849"	482.038324	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-H"	-1.007276
"57132"	982.110471	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M-2H+NH4"	16.019271
"492318"	1465.156071	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M-2H+NH4"	16.019271
"867932"	499.064871	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-2H+NH4"	16.019271
"32431"	987.065866	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M-2H+Na"	20.974666
"475399"	1470.111466	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M-2H+Na"	20.974666
"860863"	504.020266	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-2H+Na"	20.974666
"1632582"	504.020266	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Na-2H"	20.974666
"103646"	500.026663	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M-H+Cl"	33.962126
"546487"	741.549463	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M-H+Cl"	33.962126
"941093"	258.503863	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-H+Cl"	33.962126
"278561"	1001.060602	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+Cl"	34.969402
"669888"	1484.106202	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+Cl"	34.969402
"1284478"	518.015002	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Cl"	34.969402
"28125"	1003.039806	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M-2H+K"	36.948606
"462220"	1486.085406	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M-2H+K"	36.948606
"841113"	519.994206	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-2H+K"	36.948606
"1565697"	519.994206	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+K-2H"	36.948606
"954672"	528.043794	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-H+HCOOH"	44.998194
"375444"	1011.089401	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+HCOOH-H"	44.998201
"356414"	1025.105051	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+Hac-H"	59.013851
"1505610"	542.059451	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Hac-H"	59.013851
"971692"	550.025751	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-H+NaCOOH"	66.980151
"116591"	518.015002	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+2Cl"	69.938804
"558339"	759.537802	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+2Cl"	69.938804
"1028232"	276.492202	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2Cl"	69.938804
"1248904"	561.964485	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Br"	78.918885
"1314633"	564.020472	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Cl+HCOOH"	80.974872
"1329942"	586.002429	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Cl+NaCOOH"	102.956829
"920999"	596.031186	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M-H+CF3COOH"	112.985586
"1293335"	632.007864	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Cl+CF3COOH"	148.962264
"1378057"	448.032924	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H-2H2O"	-35.012676
"1397382"	466.0429	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H-H2O"	-17.0027
"295975"	967.098476	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+H"	1.007276
"686577"	1450.144076	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+H"	1.007276
"1359644"	484.052876	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H"	1.007276
"135817"	484.052876	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+2H"	2.014552
"574284"	725.575676	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+2H"	2.014552
"1047096"	242.530076	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2H"	2.014552
"215363"	323.037676	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+3H"	3.021828
"654924"	484.052876	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+3H"	3.021828
"1174871"	162.022476	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+3H"	3.021828
"437413"	984.125023	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+NH4"	18.033823
"792942"	1467.170623	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+NH4"	18.033823
"1684898"	501.079423	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+NH4"	18.033823
"334271"	492.5661495	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+H+NH4"	19.041099
"728152"	734.0889495	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+H+NH4"	19.041099
"1481608"	251.0433495	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H+NH4"	19.041099
"397007"	989.080418	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+Na"	22.989218
"757269"	1472.126018	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+Na"	22.989218
"1612658"	506.034818	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Na"	22.989218
"322697"	495.043847	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+H+Na"	23.996494
"718397"	736.566647	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+H+Na"	23.996494
"1473307"	253.521047	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H+Na"	23.996494
"1056716"	169.34979	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2H+Na"	25.00377
"1258521"	516.079086	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+CH3OH+H"	33.033486
"381349"	1005.054358	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+K"	38.963158
"741616"	1488.099958	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+K"	38.963158
"1540748"	522.008758	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+K"	38.963158
"302668"	503.030817	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+H+K"	39.970434
"693023"	744.553617	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+H+K"	39.970434
"1452196"	261.508017	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H+K"	39.970434
"239703"	1008.125026	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+ACN+H"	42.033826
"1216787"	525.079426	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+ACN+H"	42.033826
"1203953"	263.043351	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+ACN+2H"	43.041102
"193542"	1011.06236	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+2Na-H"	44.97116
"634195"	1494.10796	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+2Na-H"	44.97116
"1144264"	528.01676	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2Na-H"	44.97116
"186461"	506.034818	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+2Na"	45.978436
"625658"	747.557618	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+2Na"	45.978436
"1130987"	264.512018	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2Na"	45.978436
"1414107"	176.677104	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H+2Na"	46.985712
"1444804"	530.058346	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H+HCOOH"	47.012746
"231583"	511.06784	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+3H2O+2H"	56.04448
"1521833"	544.11039	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+IsoProp+H"	61.06479
"421156"	514.021788	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+Na+K"	61.952376
"785071"	755.544588	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+Na+K"	61.952376
"1680675"	272.498988	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Na+K"	61.952376
"263186"	1030.106968	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+ACN+Na"	64.015768
"1233708"	547.061368	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+ACN+Na"	64.015768
"1720407"	547.084893	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+NH4+HCOOH"	64.039293
"1189041"	184.004418	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+3Na"	68.967654
"1657839"	552.040288	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Na+HCOOH"	68.994688
"164701"	1043.01024	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+2K-H"	76.91904
"606449"	1526.05584	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+2K-H"	76.91904
"1093149"	559.96464	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2K-H"	76.91904
"153247"	522.008758	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"2M+2K"	77.926316
"588429"	763.531558	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"3M+2K"	77.926316
"1081693"	280.485958	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2K"	77.926316
"1112716"	561.979192	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2K+H"	78.933592
"1350681"	562.066807	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+DMSO+H"	79.021207
"1017630"	566.105976	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2ACN+H"	83.060376
"1538672"	567.099608	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+IsoProp+Na+H"	84.054008
"996731"	283.556626	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+2ACN+2H"	84.067652
"1601320"	568.014228	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+K+HCOOH"	84.968628
"1428559"	598.045738	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+H+CF3COOH"	115.000138
"1157033"	304.069901	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+3ACN+2H"	125.094202
"1701117"	615.072285	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+NH4+CF3COOH"	132.026685
"1640049"	620.02768	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+Na+CF3COOH"	136.98208
"1583354"	636.00162	"C04832"	"Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;CoM-S-S-CoB;N-7-(2-Sulfoethyl)dithioheptanoyl-3-O-phospho-L-threonine"	"C13H26NO10PS3"	"483.0456"	"M+K+CF3COOH"	152.95602
"813719"	266.1882	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M"	0
"989078"	247.16981	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-H2O-H"	-19.01839
"75496"	176.451524	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M-3H"	-3.021828
"516149"	265.180924	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M-3H"	-3.021828
"889581"	87.722124	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-3H"	-3.021828
"8155"	265.180924	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M-2H"	-2.014552
"448809"	398.275024	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M-2H"	-2.014552
"826608"	132.086824	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-2H"	-2.014552
"84413"	531.369124	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M-H"	-1.007276
"525067"	797.557324	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M-H"	-1.007276
"898858"	265.180924	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-H"	-1.007276
"51409"	548.395671	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M-2H+NH4"	16.019271
"497530"	814.583871	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M-2H+NH4"	16.019271
"867681"	282.207471	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-2H+NH4"	16.019271
"33758"	553.351066	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M-2H+Na"	20.974666
"482078"	819.539266	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M-2H+Na"	20.974666
"858786"	287.162866	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-2H+Na"	20.974666
"1622853"	287.162866	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Na-2H"	20.974666
"102664"	283.169263	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M-H+Cl"	33.962126
"537485"	416.263363	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M-H+Cl"	33.962126
"933550"	150.075163	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-H+Cl"	33.962126
"271013"	567.345802	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+Cl"	34.969402
"671091"	833.534002	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+Cl"	34.969402
"1278026"	301.157602	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Cl"	34.969402
"24957"	569.325006	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M-2H+K"	36.948606
"462330"	835.513206	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M-2H+K"	36.948606
"843415"	303.136806	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-2H+K"	36.948606
"1563620"	303.136806	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+K-2H"	36.948606
"951503"	311.186394	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-H+HCOOH"	44.998194
"374099"	577.374601	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+HCOOH-H"	44.998201
"358346"	591.390251	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+Hac-H"	59.013851
"1505718"	325.202051	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Hac-H"	59.013851
"969980"	333.168351	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-H+NaCOOH"	66.980151
"114514"	301.157602	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+2Cl"	69.938804
"551887"	434.251702	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+2Cl"	69.938804
"1027248"	168.063502	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2Cl"	69.938804
"1244639"	345.107085	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Br"	78.918885
"1313649"	347.163072	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Cl+HCOOH"	80.974872
"1323492"	369.145029	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Cl+NaCOOH"	102.956829
"924393"	379.173786	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M-H+CF3COOH"	112.985586
"1301102"	415.150464	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Cl+CF3COOH"	148.962264
"1377811"	231.175524	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H-2H2O"	-35.012676
"1388381"	249.1855	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H-H2O"	-17.0027
"290985"	533.383676	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+H"	1.007276
"685593"	799.571876	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+H"	1.007276
"1358664"	267.195476	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H"	1.007276
"132646"	267.195476	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+2H"	2.014552
"576218"	400.289576	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+2H"	2.014552
"1046475"	134.101376	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2H"	2.014552
"214379"	178.466076	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+3H"	3.021828
"656491"	267.195476	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+3H"	3.021828
"1175342"	89.736676	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+3H"	3.021828
"438616"	550.410223	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+NH4"	18.033823
"794145"	816.598423	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+NH4"	18.033823
"1686102"	284.222023	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+NH4"	18.033823
"335475"	275.7087495	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+H+NH4"	19.041099
"728990"	408.8028495	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+H+NH4"	19.041099
"1484995"	142.6146495	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H+NH4"	19.041099
"396021"	555.365618	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+Na"	22.989218
"763577"	821.553818	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+Na"	22.989218
"1612768"	289.177418	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Na"	22.989218
"326084"	278.186447	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+H+Na"	23.996494
"718504"	411.280547	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+H+Na"	23.996494
"1461324"	145.092347	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H+Na"	23.996494
"1057928"	97.06399	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2H+Na"	25.00377
"1265073"	299.221686	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+CH3OH+H"	33.033486
"377115"	571.339558	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+K"	38.963158
"743550"	837.527758	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+K"	38.963158
"1544511"	305.151358	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+K"	38.963158
"303874"	286.173417	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+H+K"	39.970434
"698486"	419.267517	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+H+K"	39.970434
"1452306"	153.079317	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H+K"	39.970434
"245283"	574.410226	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+ACN+H"	42.033826
"1213615"	308.222026	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+ACN+H"	42.033826
"1204063"	154.614651	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+ACN+2H"	43.041102
"195838"	577.34756	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+2Na-H"	44.97116
"642693"	843.53576	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+2Na-H"	44.97116
"1144741"	311.15936	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2Na-H"	44.97116
"185843"	289.177418	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+2Na"	45.978436
"627229"	422.271518	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+2Na"	45.978436
"1130612"	156.083318	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2Na"	45.978436
"1409881"	104.391304	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H+2Na"	46.985712
"1438718"	313.200946	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H+HCOOH"	47.012746
"231330"	294.21044	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+3H2O+2H"	56.04448
"1520850"	327.25299	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+IsoProp+H"	61.06479
"419445"	297.164388	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+Na+K"	61.952376
"778255"	430.258488	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+Na+K"	61.952376
"1677501"	164.070288	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Na+K"	61.952376
"258924"	596.392168	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+ACN+Na"	64.015768
"1230539"	330.203968	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+ACN+Na"	64.015768
"1720518"	330.227493	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+NH4+HCOOH"	64.039293
"1182588"	111.718618	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+3Na"	68.967654
"1656857"	335.182888	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Na+HCOOH"	68.994688
"162627"	609.29544	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+2K-H"	76.91904
"609842"	875.48364	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+2K-H"	76.91904
"1096539"	343.10724	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2K-H"	76.91904
"151169"	305.151358	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"2M+2K"	77.926316
"590726"	438.245458	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"3M+2K"	77.926316
"1081679"	172.057258	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2K"	77.926316
"1110637"	345.121792	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2K+H"	78.933592
"1345927"	345.209407	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+DMSO+H"	79.021207
"1016642"	349.248576	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2ACN+H"	83.060376
"1528207"	350.242208	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+IsoProp+Na+H"	84.054008
"997934"	175.127926	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+2ACN+2H"	84.067652
"1599730"	351.156828	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+K+HCOOH"	84.968628
"1422482"	381.188338	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+H+CF3COOH"	115.000138
"1157143"	195.641201	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+3ACN+2H"	125.094202
"1704509"	398.214885	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+NH4+CF3COOH"	132.026685
"1642346"	403.17028	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+Na+CF3COOH"	136.98208
"1573624"	419.14422	"C04834"	"Juvenile hormone II acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoic acid;(2E6E)-(10R11S)-1011-Epoxy-3711-trimethyltrideca-26-dienoate;(2E6E)-1011-Epoxy-3711-trimethyltridecadienoic acid"	"C16H26O3"	"266.1882"	"M+K+CF3COOH"	152.95602
"803988"	350.2093	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M"	0
"984081"	331.19091	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"77429"	232.465590666667	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"515166"	349.202024	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"888597"	115.729157333333	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"7172"	349.202024	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"448918"	524.306674	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"822345"	174.097374	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"81243"	699.411324	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"524084"	1049.620624	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"900061"	349.202024	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"51519"	716.437871	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"488891"	1066.647171	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"865843"	366.228571	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"34600"	721.393266	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"481093"	1071.602566	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"858896"	371.183966	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1625150"	371.183966	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"100586"	367.190363	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"539054"	542.295013	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"933660"	192.085713	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"271123"	735.388002	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"669015"	1085.597302	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1278136"	385.178702	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"23974"	737.367206	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"462440"	1087.576506	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"841339"	387.157906	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1562637"	387.157906	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"949427"	395.207494	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"372386"	745.416801	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"355904"	759.432451	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1503643"	409.223151	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"964622"	417.189451	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"111707"	385.178702	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"555278"	560.283352	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1027356"	210.074052	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1246934"	429.128185	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1309386"	431.184172	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1323602"	453.166129	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"922317"	463.194886	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1299756"	499.171564	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1376098"	315.196624	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1387398"	333.2066	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"290002"	701.425876	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"681331"	1051.635176	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1357681"	351.216576	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"133850"	351.216576	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"576692"	526.321226	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1046585"	176.111926	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"216312"	234.480142666667	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"656602"	351.216576	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1176183"	117.743709333333	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"437999"	718.452423	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"794255"	1068.661723	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1689492"	368.243123	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"336679"	359.7298495	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"730193"	534.8344995	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1486200"	184.6251995	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"399413"	723.407818	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"765873"	1073.617118	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1611785"	373.198518	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"326559"	362.207547	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"719344"	537.312197	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1461744"	187.102897	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1056945"	125.071023333333	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1265183"	383.242786	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"377923"	739.381758	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"742566"	1089.591058	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1544621"	389.172458	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"306171"	370.194517	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"697502"	545.299167	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1452416"	195.089867	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"244300"	742.452426	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1214818"	392.243126	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1203080"	196.625201	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"195947"	745.38976	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"639886"	1095.59906	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1140111"	395.18046	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"181212"	373.198518	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"625151"	548.303168	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1128293"	198.093868	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1411084"	132.398337333333	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1442838"	397.222046	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"233993"	378.23154	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1522419"	411.27409	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"418462"	381.185488	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"783832"	556.290138	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1679799"	206.080838	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"260128"	764.434368	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1232836"	414.225068	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1719536"	414.248593	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1184888"	139.725651333333	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1655509"	419.203988	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"167111"	777.33764	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"609952"	1127.54694	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1096650"	427.12834	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"153467"	389.172458	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"590835"	564.277108	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1080818"	214.067808	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1111841"	429.142892	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1344943"	429.230507	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1013472"	433.269676	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1529410"	434.263308	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"998044"	217.138476	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1596922"	435.177928	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1419310"	465.209438	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1150691"	237.651751	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1704619"	482.235985	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1642456"	487.19138	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1573734"	503.16532	"C04835"	"(5Z13E)-69alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-513-dienoate"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"805191"	404.0625	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M"	0
"987471"	385.04411	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-H2O-H"	-19.01839
"78319"	268.367724	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M-3H"	-3.021828
"517462"	403.055224	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M-3H"	-3.021828
"893082"	133.680224	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-3H"	-3.021828
"14572"	403.055224	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M-2H"	-2.014552
"455104"	605.086474	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M-2H"	-2.014552
"827922"	201.023974	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-2H"	-2.014552
"90099"	807.117724	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M-H"	-1.007276
"531847"	1211.180224	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M-H"	-1.007276
"907462"	403.055224	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-H"	-1.007276
"58556"	824.144271	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M-2H+NH4"	16.019271
"494835"	1228.206771	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M-2H+NH4"	16.019271
"868264"	420.081771	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-2H+NH4"	16.019271
"33617"	829.099666	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M-2H+Na"	20.974666
"486190"	1233.162166	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M-2H+Na"	20.974666
"859006"	425.037166	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-2H+Na"	20.974666
"1626354"	425.037166	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Na-2H"	20.974666
"107986"	421.043563	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M-H+Cl"	33.962126
"544631"	623.074813	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M-H+Cl"	33.962126
"938145"	219.012313	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-H+Cl"	33.962126
"280953"	843.094402	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+Cl"	34.969402
"672405"	1247.156902	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+Cl"	34.969402
"1284807"	439.031902	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Cl"	34.969402
"26272"	845.073606	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M-2H+K"	36.948606
"465831"	1249.136106	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M-2H+K"	36.948606
"843637"	441.011106	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-2H+K"	36.948606
"1567122"	441.011106	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+K-2H"	36.948606
"952817"	449.060694	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-H+HCOOH"	44.998194
"369944"	853.123201	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+HCOOH-H"	44.998201
"356014"	867.138851	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+Hac-H"	59.013851
"1503753"	463.076351	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Hac-H"	59.013851
"965827"	471.042651	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-H+NaCOOH"	66.980151
"122390"	439.031902	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+2Cl"	69.938804
"556482"	641.063152	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+2Cl"	69.938804
"1028561"	237.000652	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2Cl"	69.938804
"1250327"	482.981385	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Br"	78.918885
"1308400"	485.037372	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Cl+HCOOH"	80.974872
"1328086"	507.019329	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Cl+NaCOOH"	102.956829
"922428"	517.048086	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M-H+CF3COOH"	112.985586
"1300595"	553.024764	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Cl+CF3COOH"	148.962264
"1379854"	369.049824	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H-2H2O"	-35.012676
"1394799"	387.0598	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H-H2O"	-17.0027
"290114"	809.132276	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+H"	1.007276
"683628"	1213.194776	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+H"	1.007276
"1358883"	405.069776	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H"	1.007276
"135055"	405.069776	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+2H"	2.014552
"573523"	607.101026	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+2H"	2.014552
"1046695"	203.038526	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2H"	2.014552
"216057"	270.382276	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+3H"	3.021828
"658170"	405.069776	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+3H"	3.021828
"1177024"	135.694776	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+3H"	3.021828
"438837"	826.158823	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+NH4"	18.033823
"794366"	1230.221323	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+NH4"	18.033823
"1689603"	422.096323	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+NH4"	18.033823
"337882"	413.5830495	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+H+NH4"	19.041099
"734676"	615.6142995	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+H+NH4"	19.041099
"1486312"	211.5517995	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H+NH4"	19.041099
"400615"	831.114218	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+Na"	22.989218
"767806"	1235.176718	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+Na"	22.989218
"1616267"	427.051718	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Na"	22.989218
"328491"	416.060747	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+H+Na"	23.996494
"719455"	618.091997	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+H+Na"	23.996494
"1468176"	214.029497	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H+Na"	23.996494
"1060335"	143.02209	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2H+Na"	25.00377
"1267481"	437.095986	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+CH3OH+H"	33.033486
"378399"	847.088158	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+K"	38.963158
"744863"	1251.150658	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+K"	38.963158
"1545824"	443.025658	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+K"	38.963158
"306281"	424.047717	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+H+K"	39.970434
"695052"	626.078967	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+H+K"	39.970434
"1450338"	222.016467	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H+K"	39.970434
"241127"	850.158826	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+ACN+H"	42.033826
"1214199"	446.096326	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+ACN+H"	42.033826
"1198816"	223.551801	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+ACN+2H"	43.041102
"193141"	853.09616	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+2Na-H"	44.97116
"637809"	1257.15866	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+2Na-H"	44.97116
"1138033"	449.03366	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2Na-H"	44.97116
"179134"	427.051718	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+2Na"	45.978436
"623072"	629.082968	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+2Na"	45.978436
"1127308"	225.020468	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2Na"	45.978436
"1407914"	150.349404	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H+2Na"	46.985712
"1437845"	451.075246	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H+HCOOH"	47.012746
"228634"	432.08474	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+3H2O+2H"	56.04448
"1518520"	465.12729	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+IsoProp+H"	61.06479
"419301"	435.038688	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+Na+K"	61.952376
"781391"	637.069938	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+Na+K"	61.952376
"1675174"	233.007438	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Na+K"	61.952376
"253676"	872.140768	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+ACN+Na"	64.015768
"1228206"	468.078268	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+ACN+Na"	64.015768
"1715999"	468.101793	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+NH4+HCOOH"	64.039293
"1180986"	157.676718	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+3Na"	68.967654
"1652701"	473.057188	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Na+HCOOH"	68.994688
"162847"	885.04404	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+2K-H"	76.91904
"605686"	1289.10654	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+2K-H"	76.91904
"1096759"	480.98154	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2K-H"	76.91904
"156988"	443.025658	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"2M+2K"	77.926316
"590946"	645.056908	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"3M+2K"	77.926316
"1078741"	240.994408	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2K"	77.926316
"1112923"	482.996092	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2K+H"	78.933592
"1348333"	483.083707	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+DMSO+H"	79.021207
"1011395"	487.122876	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2ACN+H"	83.060376
"1534988"	488.116508	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+IsoProp+Na+H"	84.054008
"998155"	244.065076	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+2ACN+2H"	84.067652
"1593752"	489.031128	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+K+HCOOH"	84.968628
"1421607"	519.062638	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+H+CF3COOH"	115.000138
"1151165"	264.578351	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+3ACN+2H"	125.094202
"1708009"	536.089185	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+NH4+CF3COOH"	132.026685
"1642566"	541.04458	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+Na+CF3COOH"	136.98208
"1574937"	557.01852	"C04839"	"3-O-(36-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate"	"C12H20O13S"	"404.0625"	"M+K+CF3COOH"	152.95602
"804208"	444.3603	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M"	0
"983208"	425.34191	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-H2O-H"	-19.01839
"72544"	295.232924	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M-3H"	-3.021828
"509917"	443.353024	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M-3H"	-3.021828
"887720"	147.112824	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-3H"	-3.021828
"14682"	443.353024	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M-2H"	-2.014552
"453511"	665.533174	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M-2H"	-2.014552
"828032"	221.172874	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-2H"	-2.014552
"81463"	887.713324	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M-H"	-1.007276
"527584"	1332.073624	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M-H"	-1.007276
"898825"	443.353024	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-H"	-1.007276
"51012"	904.739871	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M-2H+NH4"	16.019271
"490573"	1349.100171	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M-2H+NH4"	16.019271
"866550"	460.379571	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-2H+NH4"	16.019271
"33727"	909.695266	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M-2H+Na"	20.974666
"486667"	1354.055566	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M-2H+Na"	20.974666
"859116"	465.334966	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-2H+Na"	20.974666
"1629744"	465.334966	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Na-2H"	20.974666
"108460"	461.341363	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M-H+Cl"	33.962126
"545834"	683.521513	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M-H+Cl"	33.962126
"941415"	239.161213	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-H+Cl"	33.962126
"281916"	923.690002	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+Cl"	34.969402
"672515"	1368.050302	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+Cl"	34.969402
"1283825"	479.329702	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Cl"	34.969402
"28570"	925.669206	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M-2H+K"	36.948606
"464848"	1370.029506	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M-2H+K"	36.948606
"843747"	481.308906	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-2H+K"	36.948606
"1566139"	481.308906	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+K-2H"	36.948606
"952927"	489.358494	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-H+HCOOH"	44.998194
"368960"	933.718801	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+HCOOH-H"	44.998201
"356124"	947.734451	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+Hac-H"	59.013851
"1503863"	503.374151	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Hac-H"	59.013851
"965937"	511.340451	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-H+NaCOOH"	66.980151
"122500"	479.329702	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+2Cl"	69.938804
"557686"	701.509852	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+2Cl"	69.938804
"1028671"	257.149552	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2Cl"	69.938804
"1249343"	523.279185	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Br"	78.918885
"1307781"	525.335172	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Cl+HCOOH"	80.974872
"1327103"	547.317129	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Cl+NaCOOH"	102.956829
"922538"	557.345886	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M-H+CF3COOH"	112.985586
"1299248"	593.322564	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Cl+CF3COOH"	148.962264
"1376319"	409.347624	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H-2H2O"	-35.012676
"1390536"	427.3576	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H-H2O"	-17.0027
"289129"	889.727876	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+H"	1.007276
"682644"	1334.088176	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+H"	1.007276
"1358993"	445.367576	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H"	1.007276
"131884"	445.367576	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+2H"	2.014552
"571445"	667.547726	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+2H"	2.014552
"1043526"	223.187426	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2H"	2.014552
"214707"	297.247476	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+3H"	3.021828
"656454"	445.367576	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+3H"	3.021828
"1175672"	149.127376	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+3H"	3.021828
"437853"	906.754423	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+NH4"	18.033823
"795567"	1351.114723	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+NH4"	18.033823
"1689712"	462.394123	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+NH4"	18.033823
"340177"	453.8808495	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+H+NH4"	19.041099
"728227"	676.0609995	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+H+NH4"	19.041099
"1484232"	231.7006995	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H+NH4"	19.041099
"399632"	911.709818	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+Na"	22.989218
"766092"	1356.070118	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+Na"	22.989218
"1613097"	467.349518	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Na"	22.989218
"325321"	456.358547	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+H+Na"	23.996494
"719928"	678.538697	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+H+Na"	23.996494
"1467193"	234.178397	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H+Na"	23.996494
"1062632"	156.45469	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2H+Na"	25.00377
"1266497"	477.393786	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+CH3OH+H"	33.033486
"383979"	927.683758	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+K"	38.963158
"742786"	1372.044058	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+K"	38.963158
"1544839"	483.323458	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+K"	38.963158
"304566"	464.345517	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+H+K"	39.970434
"694070"	686.525667	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+H+K"	39.970434
"1450446"	242.165367	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H+K"	39.970434
"242329"	930.754426	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+ACN+H"	42.033826
"1218320"	486.394126	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+ACN+H"	42.033826
"1202205"	243.700701	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+ACN+2H"	43.041102
"193982"	933.69176	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+2Na-H"	44.97116
"639012"	1378.05206	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+2Na-H"	44.97116
"1140329"	489.33146	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2Na-H"	44.97116
"180337"	467.349518	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+2Na"	45.978436
"624274"	689.529668	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+2Na"	45.978436
"1127417"	245.169368	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2Na"	45.978436
"1409845"	163.782004	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H+2Na"	46.985712
"1437955"	491.373046	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H+HCOOH"	47.012746
"228743"	472.38254	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+3H2O+2H"	56.04448
"1517902"	505.42509	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+IsoProp+H"	61.06479
"415401"	475.336488	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+Na+K"	61.952376
"778585"	697.516638	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+Na+K"	61.952376
"1671639"	253.156338	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Na+K"	61.952376
"252690"	952.736368	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+ACN+Na"	64.015768
"1226248"	508.376068	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+ACN+Na"	64.015768
"1715015"	508.399593	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+NH4+HCOOH"	64.039293
"1181098"	171.109318	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+3Na"	68.967654
"1650092"	513.354988	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Na+HCOOH"	68.994688
"158579"	965.63964	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+2K-H"	76.91904
"601788"	1409.99994	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+2K-H"	76.91904
"1096870"	521.27934	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2K-H"	76.91904
"153686"	483.323458	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"2M+2K"	77.926316
"588869"	705.503608	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"3M+2K"	77.926316
"1070340"	261.143308	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2K"	77.926316
"1106590"	523.293892	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2K+H"	78.933592
"1342976"	523.381507	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+DMSO+H"	79.021207
"1011503"	527.420676	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2ACN+H"	83.060376
"1529630"	528.414308	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+IsoProp+Na+H"	84.054008
"994985"	264.213976	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+2ACN+2H"	84.067652
"1590583"	529.328928	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+K+HCOOH"	84.968628
"1418438"	559.360438	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+H+CF3COOH"	115.000138
"1148724"	284.727251	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+3ACN+2H"	125.094202
"1708119"	576.386985	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+NH4+CF3COOH"	132.026685
"1642676"	581.34238	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+Na+CF3COOH"	136.98208
"1583795"	597.31632	"C04840"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate"	"C29H48O3"	"444.3603"	"M+K+CF3COOH"	152.95602
"804318"	354.2406	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M"	0
"983318"	335.22221	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"69373"	235.153124	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"515495"	353.233324	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"887829"	117.072924	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"10778"	353.233324	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"453621"	530.353624	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"828142"	176.113024	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"81573"	707.473924	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"524416"	1061.714524	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"898935"	353.233324	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"49298"	724.500471	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"492141"	1078.741071	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"867027"	370.259871	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"33107"	729.455866	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"486529"	1083.696466	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"862141"	375.215266	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1629853"	375.215266	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"106380"	371.221663	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"545944"	548.341963	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"941282"	194.101363	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"280934"	743.450602	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"672625"	1097.691202	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1286122"	389.210002	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"27587"	745.429806	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"464959"	1099.670406	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"843857"	391.189206	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1565156"	391.189206	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"951944"	399.238794	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"367977"	753.479401	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"352953"	767.495051	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1500692"	413.254451	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"971515"	421.220751	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"122610"	389.210002	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"557796"	566.330302	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1028781"	212.089702	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1249453"	433.159485	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1310807"	435.215472	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1324661"	457.197429	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"922648"	467.226186	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1298993"	503.202864	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1376429"	319.227924	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1390647"	337.2379	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"288146"	709.488476	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"685670"	1063.729076	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1355826"	355.247876	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"131995"	355.247876	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"571556"	532.368176	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1043638"	178.127576	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"210445"	237.167676	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"657295"	355.247876	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1175421"	119.087476	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"436873"	726.515023	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"792398"	1080.755623	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1688731"	372.274423	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"337010"	363.7611495	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"732711"	540.8814495	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1483251"	186.6408495	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"403023"	731.470418	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"766204"	1085.711018	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1614303"	377.229818	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"324340"	366.238847	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"716759"	543.359147	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1468396"	189.118547	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1063835"	126.41479	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1268793"	387.274086	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"384087"	747.444358	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"743989"	1101.684958	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1544949"	393.203758	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"304312"	374.225817	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"693451"	551.346117	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1451649"	197.105517	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"244626"	750.515026	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1217336"	396.274426	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1202315"	198.640851	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"197372"	753.45236	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"638029"	1107.69296	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1140439"	399.21176	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"180447"	377.229818	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"624386"	554.350118	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1128257"	200.109518	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1409956"	133.742104	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1440981"	401.253346	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"229583"	382.26284	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1518011"	415.30539	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"415512"	385.216788	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"776506"	562.337088	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1675026"	208.096488	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"255354"	772.496968	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1227332"	418.256368	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1713421"	418.279893	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1179750"	141.069418	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1649999"	423.235288	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"161971"	785.40024	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"603721"	1139.64084	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1095886"	431.15964	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"153796"	393.203758	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"588980"	570.324058	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1071668"	216.083458	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1105607"	433.174192	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1340901"	433.261807	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1012709"	437.300976	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1530834"	438.294608	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"998376"	219.154126	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1592880"	439.209228	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1419640"	469.240738	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1151020"	239.667401	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1700574"	486.267285	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1642786"	491.22268	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1583905"	507.19662	"C04843"	"(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoate;(5Z9E14Z)-(8xi11xi12S)-81112-Trihydroxyicosa-5914-trienoic acid;Trioxilin A3"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"816458"	348.1573	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M"	0
"988777"	329.13891	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"72765"	231.097590666667	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"518159"	347.150024	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"894264"	115.045157333333	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"13807"	347.150024	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"449358"	521.228674	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"829346"	173.071374	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"83871"	695.307324	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"524524"	1043.464624	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"905605"	347.150024	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"49772"	712.333871	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"491887"	1060.491171	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"866407"	364.176571	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"32241"	717.289266	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"485665"	1065.446566	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"854961"	369.131966	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1629963"	369.131966	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"106490"	365.138363	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"542773"	539.217013	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"937379"	191.059713	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"281771"	731.284002	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"673705"	1079.441302	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1285138"	383.126702	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"27697"	733.263206	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"468350"	1081.420506	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"842873"	385.105906	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1564174"	385.105906	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"953153"	393.155494	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"375745"	741.312801	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"361090"	755.328451	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1502991"	407.171151	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"973570"	415.137451	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"120533"	383.126702	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"562281"	557.205352	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1029986"	209.048052	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1246282"	427.076185	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1310919"	429.132172	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1325136"	451.114129	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"922758"	461.142886	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1298376"	497.119564	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1376540"	313.144624	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1389665"	331.1546	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"291537"	697.321876	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"685053"	1045.479176	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1355940"	349.164576	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"132105"	349.164576	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"571667"	523.243226	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1042656"	175.085926	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"213473"	233.112142666667	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"653033"	349.164576	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1171523"	117.059709333333	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"431516"	714.348423	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"790321"	1062.505723	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1682277"	366.191123	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"336024"	357.6778495	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"728444"	531.7564995	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1483359"	183.5991995	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"398760"	719.303818	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"761937"	1067.461118	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1608942"	371.146518	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"320072"	360.155547	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"712493"	534.234197	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1469603"	186.076897	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1064311"	124.387023333333	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1267811"	381.190786	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"384197"	735.277758	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"745194"	1083.435058	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1545061"	387.120458	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"306247"	368.142517	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"700128"	542.221167	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1452860"	194.063867	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"243644"	738.348426	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1220730"	390.191126	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1208626"	195.599201	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"200401"	741.28576	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"642151"	1089.44306	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1140550"	393.12846	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"181654"	371.146518	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"625225"	545.225168	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1124720"	197.067868	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1408611"	131.714337333333	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1440727"	395.170046	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"232609"	376.17954	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1515934"	409.22209	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"414530"	379.133488	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"776618"	553.212138	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1672950"	205.054838	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"255464"	760.330368	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1229266"	412.173068	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1715236"	412.196593	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1178501"	139.041651333333	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1650967"	417.151988	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"157298"	773.23364	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"598725"	1121.39094	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1088343"	425.07634	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"145157"	387.120458	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"587998"	561.199108	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1073602"	213.041808	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1103531"	427.090892	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1339917"	427.178507	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1011728"	431.217676	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1529851"	432.211308	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"995206"	216.112476	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1592990"	433.125928	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1414439"	463.157438	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1147847"	236.625751	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1697521"	480.183985	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1642896"	485.13938	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1584015"	501.11332	"C04844"	"3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;(1E2Z)-3-Hydroxy-5917-trioxo-45:910-disecoandrosta-1(10)2-dien-4-oate;DSHA"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"804539"	545.1956	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M"	0
"981351"	526.17721	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-H2O-H"	-19.01839
"69594"	362.456457333333	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M-3H"	-3.021828
"513528"	544.188324	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M-3H"	-3.021828
"892425"	180.724590666667	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-3H"	-3.021828
"13188"	544.188324	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M-2H"	-2.014552
"449468"	816.786124	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M-2H"	-2.014552
"831642"	271.590524	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-2H"	-2.014552
"85074"	1089.383924	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M-H"	-1.007276
"527915"	1634.579524	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M-H"	-1.007276
"901344"	544.188324	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-H"	-1.007276
"49884"	1106.410471	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M-2H+NH4"	16.019271
"488348"	1651.606071	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M-2H+NH4"	16.019271
"866153"	561.214871	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-2H+NH4"	16.019271
"43912"	1111.365866	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M-2H+Na"	20.974666
"478364"	1656.561466	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M-2H+Na"	20.974666
"859448"	566.170266	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-2H+Na"	20.974666
"1630074"	566.170266	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Na-2H"	20.974666
"107335"	562.176663	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M-H+Cl"	33.962126
"540697"	834.774463	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M-H+Cl"	33.962126
"940773"	289.578863	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-H+Cl"	33.962126
"274955"	1125.360602	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+Cl"	34.969402
"672974"	1670.556202	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+Cl"	34.969402
"1285616"	580.165002	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Cl"	34.969402
"28536"	1127.339806	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M-2H+K"	36.948606
"466274"	1672.535406	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M-2H+K"	36.948606
"841890"	582.144206	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-2H+K"	36.948606
"1562098"	582.144206	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+K-2H"	36.948606
"955818"	590.193794	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-H+HCOOH"	44.998194
"376221"	1135.389401	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+HCOOH-H"	44.998201
"356455"	1149.405051	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+Hac-H"	59.013851
"1507475"	604.209451	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Hac-H"	59.013851
"973559"	612.175751	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-H+NaCOOH"	66.980151
"121736"	580.165002	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+2Cl"	69.938804
"563484"	852.762802	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+2Cl"	69.938804
"1031189"	307.567202	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2Cl"	69.938804
"1244207"	624.114485	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Br"	78.918885
"1313219"	626.170472	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Cl+HCOOH"	80.974872
"1326340"	648.152429	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Cl+NaCOOH"	102.956829
"923600"	658.181186	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M-H+CF3COOH"	112.985586
"1298486"	694.157864	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Cl+CF3COOH"	148.962264
"1371549"	510.182924	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H-2H2O"	-35.012676
"1389774"	528.1929	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H-H2O"	-17.0027
"287272"	1091.398476	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+H"	1.007276
"686255"	1636.594076	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+H"	1.007276
"1360785"	546.202876	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H"	1.007276
"131123"	546.202876	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+2H"	2.014552
"570683"	818.800676	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+2H"	2.014552
"1043859"	273.605076	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2H"	2.014552
"215406"	364.471009333333	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+3H"	3.021828
"651321"	546.202876	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+3H"	3.021828
"1170541"	182.739142666667	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+3H"	3.021828
"431623"	1108.425023	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+NH4"	18.033823
"791524"	1653.620623	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+NH4"	18.033823
"1684574"	563.229423	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+NH4"	18.033823
"336133"	554.7161495	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+H+NH4"	19.041099
"729647"	827.3139495	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+H+NH4"	19.041099
"1486748"	282.1183495	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H+NH4"	19.041099
"402145"	1113.380418	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+Na"	22.989218
"758038"	1658.576018	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+Na"	22.989218
"1612332"	568.184818	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Na"	22.989218
"324557"	557.193847	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+H+Na"	23.996494
"716987"	829.791647	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+H+Na"	23.996494
"1467526"	284.596047	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H+Na"	23.996494
"1063691"	190.066456666667	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2H+Na"	25.00377
"1263545"	578.229086	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+CH3OH+H"	33.033486
"382121"	1129.354358	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+K"	38.963158
"739468"	1674.549958	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+K"	38.963158
"1548086"	584.158758	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+K"	38.963158
"308179"	565.180817	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+H+K"	39.970434
"699142"	837.778617	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+H+K"	39.970434
"1451873"	292.583017	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H+K"	39.970434
"242661"	1132.425026	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+ACN+H"	42.033826
"1223030"	587.229426	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+ACN+H"	42.033826
"1202537"	294.118351	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+ACN+2H"	43.041102
"201610"	1135.36236	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+2Na-H"	44.97116
"641534"	1680.55796	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+2Na-H"	44.97116
"1140660"	590.16676	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2Na-H"	44.97116
"182858"	568.184818	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+2Na"	45.978436
"624606"	840.782618	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+2Na"	45.978436
"1126289"	295.587018	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2Na"	45.978436
"1408359"	197.393770666667	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H+2Na"	46.985712
"1436099"	592.208346	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H+HCOOH"	47.012746
"227986"	573.21784	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+3H2O+2H"	56.04448
"1514953"	606.26039	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+IsoProp+H"	61.06479
"412451"	576.171788	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+Na+K"	61.952376
"776729"	848.769588	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+Na+K"	61.952376
"1671970"	303.573988	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Na+K"	61.952376
"256303"	1154.406968	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+ACN+Na"	64.015768
"1227553"	609.211368	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+ACN+Na"	64.015768
"1712722"	609.234893	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+NH4+HCOOH"	64.039293
"1178749"	204.721084666667	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+3Na"	68.967654
"1651686"	614.190288	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Na+HCOOH"	68.994688
"160733"	1167.31024	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+2K-H"	76.91904
"602846"	1712.50584	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+2K-H"	76.91904
"1091732"	622.11464	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2K-H"	76.91904
"144171"	584.158758	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"2M+2K"	77.926316
"582149"	856.756558	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"3M+2K"	77.926316
"1071522"	311.560958	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2K"	77.926316
"1101818"	624.129192	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2K+H"	78.933592
"1340026"	624.216807	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+DMSO+H"	79.021207
"1008918"	628.255976	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2ACN+H"	83.060376
"1527044"	629.249608	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+IsoProp+Na+H"	84.054008
"993130"	314.631626	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+2ACN+2H"	84.067652
"1592010"	630.164228	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+K+HCOOH"	84.968628
"1418764"	660.195738	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+H+CF3COOH"	115.000138
"1151244"	335.144901	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+3ACN+2H"	125.094202
"1708451"	677.222285	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+NH4+CF3COOH"	132.026685
"1646290"	682.17768	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+Na+CF3COOH"	136.98208
"1584126"	698.15162	"C04847"	"alpha-D-Galactosyl-13-beta-D-galactosyl-14-N-acetyl-D-glucosamine"	"C20H35NO16"	"545.1956"	"M+K+CF3COOH"	152.95602
"814491"	336.2301	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M"	0
"988023"	317.21171	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"77604"	223.146124	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"513641"	335.222824	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"889260"	111.069424	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"4554"	335.222824	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"452860"	503.337874	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"825193"	167.107774	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"86277"	671.452924	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"522920"	1007.683024	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"898537"	335.222824	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"49628"	688.479471	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"492113"	1024.709571	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"875758"	352.249371	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"44389"	693.434866	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"484313"	1029.664966	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"862475"	357.204766	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1632015"	357.204766	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"106714"	353.211163	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"547741"	521.326213	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"940525"	185.096113	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"279813"	707.429602	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"672966"	1043.659702	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1285730"	371.199502	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"29014"	709.408806	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"467479"	1045.638906	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"846014"	373.178706	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1568407"	373.178706	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"956654"	381.228294	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"376572"	717.458401	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"358755"	731.474051	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1505399"	395.243951	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"971846"	403.210251	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"124763"	371.199502	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"561407"	539.314552	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1032396"	203.084452	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1247599"	415.148985	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1309316"	417.204972	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1328638"	439.186929	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"921890"	449.215686	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1301516"	485.192364	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1376761"	301.217424	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1386602"	319.2274	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"286288"	673.467476	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"684179"	1009.697576	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1360530"	337.237376	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"130139"	337.237376	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"571887"	505.352426	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1050166"	169.122326	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"216245"	225.160676	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"655806"	337.237376	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1172836"	113.083976	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"435017"	690.494023	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"798199"	1026.724123	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1689061"	354.263923	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"337338"	345.7506495	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"731945"	513.8656995	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1487951"	177.6355995	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"404444"	695.449418	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"763252"	1031.679518	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1610257"	359.219318	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"326862"	348.228347	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"719652"	516.343397	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1473838"	180.113297	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1064168"	120.41129	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1270582"	369.263586	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"384417"	711.423358	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"747601"	1047.653458	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1552937"	375.193258	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"307932"	356.215317	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"700350"	524.330367	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1454168"	188.100267	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"248978"	714.494026	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1223508"	378.263926	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1206300"	189.635601	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"201967"	717.43136	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"640183"	1053.66146	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1144784"	381.20126	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"179688"	359.219318	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"623621"	527.334368	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1129566"	191.104268	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1411386"	127.738604	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1443505"	383.242846	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"231746"	364.25234	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1519439"	397.29489	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"416938"	367.206288	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"776846"	535.321338	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1678644"	199.091238	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"261881"	736.475968	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1229125"	400.245868	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1716187"	400.269393	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1184457"	135.065918	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1653620"	405.224788	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"162302"	749.37924	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"610610"	1085.60934	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1087832"	413.14914	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"143191"	375.193258	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"587127"	543.308308	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1077106"	207.078208	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1108128"	415.163692	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1340138"	415.251307	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1008670"	419.290476	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1525699"	420.284108	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"998712"	210.148876	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1594311"	421.198728	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1417786"	451.230238	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1159011"	230.662151	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1708562"	468.256785	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1643119"	473.21218	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1574396"	489.18612	"C04849"	"(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid;(5Z9E14Z)-(8xi11R12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoate;Hepoxilin A3"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"804761"	1671.9812	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M"	0
"981573"	1652.96281	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-H2O-H"	-19.01839
"67632"	1113.64685733333	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M-3H"	-3.021828
"503913"	1670.973924	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M-3H"	-3.021828
"882078"	556.319790666667	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-3H"	-3.021828
"2476"	1670.973924	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M-2H"	-2.014552
"443130"	2506.964524	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M-2H"	-2.014552
"819471"	834.983324	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-2H"	-2.014552
"81285"	3342.955124	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M-H"	-1.007276
"521207"	5014.936324	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M-H"	-1.007276
"898651"	1670.973924	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-H"	-1.007276
"58132"	3359.981671	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M-2H+NH4"	16.019271
"496606"	5031.962871	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M-2H+NH4"	16.019271
"875867"	1688.000471	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-2H+NH4"	16.019271
"41213"	3364.937066	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M-2H+Na"	20.974666
"481870"	5036.918266	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M-2H+Na"	20.974666
"859672"	1692.955866	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-2H+Na"	20.974666
"1633459"	1692.955866	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Na-2H"	20.974666
"107564"	1688.962263	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M-H+Cl"	33.962126
"547124"	2524.952863	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M-H+Cl"	33.962126
"939907"	852.971663	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-H+Cl"	33.962126
"280286"	3378.931802	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+Cl"	34.969402
"671617"	5050.913002	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+Cl"	34.969402
"1282928"	1706.950602	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Cl"	34.969402
"25120"	3380.911006	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M-2H+K"	36.948606
"467961"	5052.892206	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M-2H+K"	36.948606
"846492"	1708.929806	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-2H+K"	36.948606
"1568883"	1708.929806	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+K-2H"	36.948606
"954578"	1716.979394	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-H+HCOOH"	44.998194
"371703"	3388.960601	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+HCOOH-H"	44.998201
"358501"	3402.976251	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+Hac-H"	59.013851
"1502230"	1730.995051	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Hac-H"	59.013851
"965396"	1738.961351	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-H+NaCOOH"	66.980151
"117583"	1706.950602	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+2Cl"	69.938804
"560430"	2542.941202	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+2Cl"	69.938804
"1033601"	870.960002	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2Cl"	69.938804
"1247710"	1750.900085	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Br"	78.918885
"1317814"	1752.956072	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Cl+HCOOH"	80.974872
"1327298"	1774.938029	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Cl+NaCOOH"	102.956829
"916898"	1784.966786	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M-H+CF3COOH"	112.985586
"1297616"	1820.943464	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Cl+CF3COOH"	148.962264
"1373592"	1636.968524	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H-2H2O"	-35.012676
"1392182"	1654.9785	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H-H2O"	-17.0027
"290775"	3344.969676	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+H"	1.007276
"683198"	5016.950876	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+H"	1.007276
"1361733"	1672.988476	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H"	1.007276
"132435"	1672.988476	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+2H"	2.014552
"576372"	2508.979076	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+2H"	2.014552
"1046267"	836.997876	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2H"	2.014552
"210888"	1115.66140933333	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+3H"	3.021828
"655551"	1672.988476	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+3H"	3.021828
"1172949"	558.334342666667	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+3H"	3.021828
"427472"	3361.996223	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+NH4"	18.033823
"790655"	5033.977423	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+NH4"	18.033823
"1689171"	1690.015023	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+NH4"	18.033823
"337449"	1681.5017495	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+H+NH4"	19.041099
"733148"	2517.4923495	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+H+NH4"	19.041099
"1484782"	845.5111495	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H+NH4"	19.041099
"403462"	3366.951618	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+Na"	22.989218
"764456"	5038.932818	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+Na"	22.989218
"1614752"	1694.970418	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Na"	22.989218
"328438"	1683.979447	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+H+Na"	23.996494
"719398"	2519.970047	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+H+Na"	23.996494
"1474312"	847.988847	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H+Na"	23.996494
"1058808"	565.661656666667	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2H+Na"	25.00377
"1263766"	1705.014686	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+CH3OH+H"	33.033486
"382343"	3382.925558	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+K"	38.963158
"746624"	5054.906758	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+K"	38.963158
"1549774"	1710.944358	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+K"	38.963158
"309136"	1691.966417	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+H+K"	39.970434
"701557"	2527.957017	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+H+K"	39.970434
"1460120"	855.975817	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H+K"	39.970434
"248725"	3385.996226	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+ACN+H"	42.033826
"1222890"	1714.015026	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+ACN+H"	42.033826
"1207501"	857.511151	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+ACN+2H"	43.041102
"202076"	3388.93356	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+2Na-H"	44.97116
"641028"	5060.91476	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+2Na-H"	44.97116
"1143436"	1716.95236	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2Na-H"	44.97116
"180893"	1694.970418	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+2Na"	45.978436
"625562"	2530.961018	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+2Na"	45.978436
"1128338"	858.979818	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2Na"	45.978436
"1408950"	572.988970666667	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H+2Na"	46.985712
"1440699"	1718.993946	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H+HCOOH"	47.012746
"229301"	1700.00344	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+3H2O+2H"	56.04448
"1519549"	1733.04599	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+IsoProp+H"	61.06479
"413773"	1702.957388	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+Na+K"	61.952376
"774769"	2538.947988	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+Na+K"	61.952376
"1667818"	866.966788	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Na+K"	61.952376
"252878"	3407.978168	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+ACN+Na"	64.015768
"1225870"	1735.996968	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+ACN+Na"	64.015768
"1715931"	1736.020493	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+NH4+HCOOH"	64.039293
"1178506"	580.316284666667	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+3Na"	68.967654
"1649900"	1740.975888	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Na+HCOOH"	68.994688
"158403"	3420.88144	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+2K-H"	76.91904
"598322"	5092.86264	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+2K-H"	76.91904
"1085387"	1748.90024	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2K-H"	76.91904
"143295"	1710.944358	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"2M+2K"	77.926316
"583957"	2546.934958	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"3M+2K"	77.926316
"1073935"	874.953758	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2K"	77.926316
"1102770"	1750.914792	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2K+H"	78.933592
"1337695"	1751.002407	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+DMSO+H"	79.021207
"1008408"	1755.041576	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2ACN+H"	83.060376
"1526177"	1756.035208	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+IsoProp+Na+H"	84.054008
"994451"	878.024426	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+2ACN+2H"	84.067652
"1588104"	1756.949828	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+K+HCOOH"	84.968628
"1416799"	1786.981338	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+H+CF3COOH"	115.000138
"1151467"	898.537701	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+3ACN+2H"	125.094202
"1707580"	1804.007885	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+NH4+CF3COOH"	132.026685
"1648698"	1808.96328	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+Na+CF3COOH"	136.98208
"1577787"	1824.93722	"C04851"	"MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol;Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine"	"C86H143N7O21P2"	"1671.9812"	"M+K+CF3COOH"	152.95602
"811434"	352.225	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M"	0
"984967"	333.20661	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"71024"	233.809390666667	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"504750"	351.217724	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"881822"	116.401057333333	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"1733"	351.217724	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"441051"	527.330224	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"818487"	175.105224	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"79936"	703.442724	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"519859"	1055.667724	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"898397"	351.217724	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"58242"	720.469271	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"496714"	1072.694271	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"875608"	368.244271	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"41323"	725.424666	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"478698"	1077.649666	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"855406"	373.199666	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1629313"	373.199666	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"108030"	369.206063	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"545409"	545.318563	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"939287"	193.093563	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"278571"	739.419402	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"672086"	1091.644402	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1283397"	387.194402	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"27049"	741.398606	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"466978"	1093.623606	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"844413"	389.173606	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1566806"	389.173606	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"954690"	397.223194	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"372542"	749.448201	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"357517"	763.463851	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1502341"	411.238851	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"969881"	419.205151	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"119882"	387.194402	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"560535"	563.306902	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1033711"	211.081902	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1249277"	431.143885	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1312455"	433.199872	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1324858"	455.181829	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"915185"	465.210586	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1297726"	501.187264	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1372243"	317.212324	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1386823"	335.2223	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"290886"	705.457276	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"686591"	1057.682276	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1360750"	353.232276	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H"	1.007276
"131453"	353.232276	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"573202"	529.344776	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1047472"	177.119776	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"210999"	235.823942666667	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"656025"	353.232276	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1173789"	118.415609333333	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"426489"	722.483823	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"795139"	1074.708823	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1689282"	370.258823	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"340840"	361.7455495	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"733259"	537.8580495	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1483800"	185.6330495	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"404666"	727.439218	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"764567"	1079.664218	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1613773"	375.214218	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"324903"	364.223247	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"717323"	540.335747	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1467863"	188.110747	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1061108"	125.742923333333	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1263877"	385.258486	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"384639"	743.413158	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"745642"	1095.638158	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1548790"	391.188158	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+K"	38.963158
"310341"	372.210217	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"703855"	548.322717	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1460229"	196.097717	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"249194"	746.483826	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1221174"	394.258826	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1207976"	197.633051	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"202669"	749.42116	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"641865"	1101.64616	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1143912"	397.19616	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"186109"	375.214218	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"624943"	551.326718	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1127354"	199.101718	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1408332"	133.070237333333	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1441904"	399.237746	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"233421"	380.24724	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1519300"	413.28979	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"416070"	383.201188	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"775972"	559.313688	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1674491"	207.088688	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"256635"	768.465768	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1229344"	416.240768	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1716043"	416.264293	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1182490"	140.397551333333	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1656755"	421.219688	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"161429"	781.36904	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"599161"	1133.59404	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1086466"	429.14404	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"143041"	391.188158	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"585524"	567.300658	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1076232"	215.075658	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1104337"	431.158592	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1339629"	431.246207	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1008520"	435.285376	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1526650"	436.279008	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"995654"	218.146326	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1589064"	437.193628	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1416908"	467.225138	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1148292"	238.659601	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1702221"	484.251685	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1635317"	489.20708	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1577897"	505.18102	"C04853"	"20-OH-Leukotriene B4;20-OH-LTB4;20-Hydroxy-leukotriene B4;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyeicosa-681014-tetraenoate;(6Z8E10E14Z)-(5S12R)-51220-Trihydroxyicosa-681014-tetraenoate"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"804982"	683.1353	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M"	0
"978517"	664.11691	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-H2O-H"	-19.01839
"63844"	454.416257333333	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M-3H"	-3.021828
"503442"	682.128024	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M-3H"	-3.021828
"880839"	226.704490666667	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-3H"	-3.021828
"1234"	682.128024	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M-2H"	-2.014552
"444444"	1023.695674	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M-2H"	-2.014552
"817342"	340.560374	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-2H"	-2.014552
"82239"	1365.263324	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M-H"	-1.007276
"519614"	2048.398624	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M-H"	-1.007276
"908352"	682.128024	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-H"	-1.007276
"51065"	1382.289871	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M-2H+NH4"	16.019271
"497917"	2065.425171	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M-2H+NH4"	16.019271
"867334"	699.154571	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-2H+NH4"	16.019271
"43619"	1387.245266	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M-2H+Na"	20.974666
"477713"	2070.380566	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M-2H+Na"	20.974666
"850047"	704.109966	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-2H+Na"	20.974666
"1629423"	704.109966	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Na-2H"	20.974666
"103765"	700.116363	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M-H+Cl"	33.962126
"546974"	1041.684013	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M-H+Cl"	33.962126
"940488"	358.548713	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-H+Cl"	33.962126
"278680"	1401.240002	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+Cl"	34.969402
"667821"	2084.375302	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+Cl"	34.969402
"1283504"	718.104702	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Cl"	34.969402
"24969"	1403.219206	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M-2H+K"	36.948606
"466721"	2086.354506	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M-2H+K"	36.948606
"843428"	720.083906	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-2H+K"	36.948606
"1566919"	720.083906	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+K-2H"	36.948606
"949334"	728.133494	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-H+HCOOH"	44.998194
"367911"	1411.268801	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+HCOOH-H"	44.998201
"355806"	1425.284451	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+Hac-H"	59.013851
"1501358"	742.149151	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Hac-H"	59.013851
"963065"	750.115451	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-H+NaCOOH"	66.980151
"119993"	718.104702	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+2Cl"	69.938804
"558460"	1059.672352	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+2Cl"	69.938804
"1033821"	376.537052	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2Cl"	69.938804
"1253400"	762.054185	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Br"	78.918885
"1317309"	764.110172	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Cl+HCOOH"	80.974872
"1327882"	786.092129	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Cl+NaCOOH"	102.956829
"922222"	796.120886	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M-H+CF3COOH"	112.985586
"1296742"	832.097564	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Cl+CF3COOH"	148.962264
"1375996"	648.122624	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H-2H2O"	-35.012676
"1386568"	666.1326	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H-H2O"	-17.0027
"285890"	1367.277876	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+H"	1.007276
"684511"	2050.413176	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+H"	1.007276
"1358672"	684.142576	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H"	1.007276
"133750"	684.142576	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+2H"	2.014552
"574403"	1025.710226	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+2H"	2.014552
"1045392"	342.574926	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2H"	2.014552
"214389"	456.430809333333	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+3H"	3.021828
"655043"	684.142576	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+3H"	3.021828
"1172075"	228.719042666667	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+3H"	3.021828
"434254"	1384.304423	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+NH4"	18.033823
"791969"	2067.439723	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+NH4"	18.033823
"1688300"	701.169123	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+NH4"	18.033823
"338760"	692.6558495	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+H+NH4"	19.041099
"732274"	1034.2234995	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+H+NH4"	19.041099
"1486095"	351.0881995	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H+NH4"	19.041099
"397123"	1389.259818	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+Na"	22.989218
"766874"	2072.395118	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+Na"	22.989218
"1618015"	706.124518	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Na"	22.989218
"321732"	695.133547	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+H+Na"	23.996494
"714153"	1036.701197	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+H+Na"	23.996494
"1467971"	353.565897	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H+Na"	23.996494
"1062308"	236.046356666667	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2H+Na"	25.00377
"1265079"	716.168786	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+CH3OH+H"	33.033486
"384755"	1405.233758	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+K"	38.963158
"744659"	2088.369058	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+K"	38.963158
"1544525"	722.098458	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+K"	38.963158
"303889"	703.120517	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+H+K"	39.970434
"700685"	1044.688167	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+H+K"	39.970434
"1451224"	361.552867	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H+K"	39.970434
"247481"	1408.304426	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+ACN+H"	42.033826
"1220190"	725.169126	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+ACN+H"	42.033826
"1206262"	363.088201	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+ACN+2H"	43.041102
"199131"	1411.24176	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+2Na-H"	44.97116
"640879"	2094.37706	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+2Na-H"	44.97116
"1144022"	728.10646	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2Na-H"	44.97116
"184032"	706.124518	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+2Na"	45.978436
"623956"	1047.692168	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+2Na"	45.978436
"1126369"	364.556868	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2Na"	45.978436
"1410989"	243.373670666667	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H+2Na"	46.985712
"1442013"	730.148046	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H+HCOOH"	47.012746
"228427"	711.15754	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+3H2O+2H"	56.04448
"1516495"	744.20009	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+IsoProp+H"	61.06479
"417273"	714.111488	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+Na+K"	61.952376
"778269"	1055.679138	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+Na+K"	61.952376
"1673508"	372.543838	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Na+K"	61.952376
"253828"	1430.286368	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+ACN+Na"	64.015768
"1229454"	747.151068	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+ACN+Na"	64.015768
"1716152"	747.174593	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+NH4+HCOOH"	64.039293
"1182600"	250.700984666667	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+3Na"	68.967654
"1656866"	752.129988	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Na+HCOOH"	68.994688
"158015"	1443.18964	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+2K-H"	76.91904
"598304"	2126.32494	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+2K-H"	76.91904
"1086335"	760.05434	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2K-H"	76.91904
"142667"	722.098458	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"2M+2K"	77.926316
"583445"	1063.666108	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"3M+2K"	77.926316
"1071239"	380.530808	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2K"	77.926316
"1102622"	762.068892	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2K+H"	78.933592
"1340464"	762.156507	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+DMSO+H"	79.021207
"1007902"	766.195676	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2ACN+H"	83.060376
"1527125"	767.189308	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+IsoProp+Na+H"	84.054008
"992484"	383.601476	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+2ACN+2H"	84.067652
"1588565"	768.103928	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+K+HCOOH"	84.968628
"1416046"	798.135438	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+H+CF3COOH"	115.000138
"1147670"	404.114751	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+3ACN+2H"	125.094202
"1700139"	815.161985	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+NH4+CF3COOH"	132.026685
"1635429"	820.11738	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+Na+CF3COOH"	136.98208
"1578008"	836.09132	"C04856"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(S)-NADH-hydrate;(S)-NADHX;(6S)-6-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide"	"C21H31N7O15P2"	"683.1353"	"M+K+CF3COOH"	152.95602
"808372"	564.1479	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M"	0
"978627"	545.12951	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-H2O-H"	-19.01839
"63225"	375.091324	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M-3H"	-3.021828
"503149"	563.140624	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M-3H"	-3.021828
"880949"	187.042024	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-3H"	-3.021828
"617"	563.140624	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M-2H"	-2.014552
"445648"	845.214574	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M-2H"	-2.014552
"818707"	281.066674	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-2H"	-2.014552
"82349"	1127.288524	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M-H"	-1.007276
"519724"	1691.436424	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M-H"	-1.007276
"908341"	563.140624	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-H"	-1.007276
"50082"	1144.315071	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M-2H+NH4"	16.019271
"491465"	1708.462971	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M-2H+NH4"	16.019271
"868173"	580.167171	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-2H+NH4"	16.019271
"41543"	1149.270466	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M-2H+Na"	20.974666
"475637"	1713.418366	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M-2H+Na"	20.974666
"848979"	585.122566	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-2H+Na"	20.974666
"1628440"	585.122566	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Na-2H"	20.974666
"102782"	581.128963	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M-H+Cl"	33.962126
"544898"	863.202913	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M-H+Cl"	33.962126
"938411"	299.055013	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-H+Cl"	33.962126
"276603"	1163.265202	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+Cl"	34.969402
"667931"	1727.413102	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+Cl"	34.969402
"1279241"	599.117302	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Cl"	34.969402
"23258"	1165.244406	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M-2H+K"	36.948606
"465737"	1729.392306	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M-2H+K"	36.948606
"843537"	601.096506	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-2H+K"	36.948606
"1565937"	601.096506	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+K-2H"	36.948606
"952724"	609.146094	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-H+HCOOH"	44.998194
"368750"	1173.294001	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+HCOOH-H"	44.998201
"353731"	1187.309651	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+Hac-H"	59.013851
"1501469"	623.161751	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Hac-H"	59.013851
"966822"	631.128051	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-H+NaCOOH"	66.980151
"120103"	599.117302	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+2Cl"	69.938804
"560760"	881.191252	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+2Cl"	69.938804
"1032476"	317.043352	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2Cl"	69.938804
"1253512"	643.066785	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Br"	78.918885
"1317419"	645.122772	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Cl+HCOOH"	80.974872
"1329085"	667.104729	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Cl+NaCOOH"	102.956829
"921237"	677.133486	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M-H+CF3COOH"	112.985586
"1294666"	713.110164	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Cl+CF3COOH"	148.962264
"1373920"	529.135224	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H-2H2O"	-35.012676
"1388137"	547.1452	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H-H2O"	-17.0027
"285636"	1129.303076	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+H"	1.007276
"686808"	1693.450976	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+H"	1.007276
"1359876"	565.155176	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H"	1.007276
"136047"	565.155176	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+2H"	2.014552
"573420"	847.229126	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+2H"	2.014552
"1047689"	283.081226	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2H"	2.014552
"217414"	377.105876	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+3H"	3.021828
"657340"	565.155176	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+3H"	3.021828
"1173279"	189.056576	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+3H"	3.021828
"436552"	1146.329623	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+NH4"	18.033823
"798275"	1710.477523	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+NH4"	18.033823
"1693877"	582.181723	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+NH4"	18.033823
"338872"	573.6684495	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+H+NH4"	19.041099
"733480"	855.7423995	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+H+NH4"	19.041099
"1487300"	291.5944995	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H+NH4"	19.041099
"401605"	1151.285018	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+Na"	22.989218
"766985"	1715.432918	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+Na"	22.989218
"1615085"	587.137118	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Na"	22.989218
"322934"	576.146147	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+H+Na"	23.996494
"714263"	858.220097	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+H+Na"	23.996494
"1467716"	294.072197	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H+Na"	23.996494
"1060231"	196.38389	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2H+Na"	25.00377
"1266284"	597.181386	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+CH3OH+H"	33.033486
"379755"	1167.258958	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+K"	38.963158
"744765"	1731.406858	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+K"	38.963158
"1544636"	603.111058	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+K"	38.963158
"302904"	584.133117	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+H+K"	39.970434
"700795"	866.207067	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+H+K"	39.970434
"1451334"	302.059167	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H+K"	39.970434
"244311"	1170.329626	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+ACN+H"	42.033826
"1218113"	606.181726	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+ACN+H"	42.033826
"1203090"	303.594501	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+ACN+2H"	43.041102
"199241"	1173.26696	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+2Na-H"	44.97116
"640261"	1737.41486	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+2Na-H"	44.97116
"1142674"	609.11906	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2Na-H"	44.97116
"184142"	587.137118	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+2Na"	45.978436
"622973"	869.211068	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+2Na"	45.978436
"1126479"	305.063168	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2Na"	45.978436
"1405993"	203.711204	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H+2Na"	46.985712
"1435560"	611.160646	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H+HCOOH"	47.012746
"228537"	592.17014	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+3H2O+2H"	56.04448
"1516606"	625.21269	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+IsoProp+H"	61.06479
"419206"	595.124088	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+Na+K"	61.952376
"781294"	877.198038	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+Na+K"	61.952376
"1674711"	313.050138	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Na+K"	61.952376
"256855"	1192.311568	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+ACN+Na"	64.015768
"1230657"	628.163668	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+ACN+Na"	64.015768
"1717356"	628.187193	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+NH4+HCOOH"	64.039293
"1179915"	211.038518	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+3Na"	68.967654
"1659163"	633.142588	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Na+HCOOH"	68.994688
"157396"	1205.21484	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+2K-H"	76.91904
"598289"	1769.36274	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+2K-H"	76.91904
"1086446"	641.06694	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2K-H"	76.91904
"142172"	603.111058	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"2M+2K"	77.926316
"583190"	885.185008	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"3M+2K"	77.926316
"1069890"	321.037108	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2K"	77.926316
"1101155"	643.081492	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2K+H"	78.933592
"1339117"	643.169107	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+DMSO+H"	79.021207
"1008134"	647.208276	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2ACN+H"	83.060376
"1526143"	648.201908	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+IsoProp+Na+H"	84.054008
"992593"	324.107776	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+2ACN+2H"	84.067652
"1588918"	649.116528	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+K+HCOOH"	84.968628
"1415062"	679.148038	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+H+CF3COOH"	115.000138
"1151791"	344.621051	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+3ACN+2H"	125.094202
"1701343"	696.174585	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+NH4+CF3COOH"	132.026685
"1635539"	701.12998	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+Na+CF3COOH"	136.98208
"1578118"	717.10392	"C04858"	"Apigenin 7-O-beta-D-apiosyl-(1-2)-beta-D-glucoside;7-O-(beta-D-Apiofuranosyl-12-beta-D-glucosyl)-574-trihydroxyflavone;Apiin;7-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;Apioside"	"C26H28O14"	"564.1479"	"M+K+CF3COOH"	152.95602
"811765"	592.3611	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M"	0
"986394"	573.34271	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-H2O-H"	-19.01839
"65887"	393.900124	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M-3H"	-3.021828
"503259"	591.353824	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M-3H"	-3.021828
"881180"	196.446424	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-3H"	-3.021828
"1822"	591.353824	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M-2H"	-2.014552
"445758"	887.534374	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M-2H"	-2.014552
"818574"	295.173274	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-2H"	-2.014552
"82459"	1183.714924	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M-H"	-1.007276
"519834"	1776.076024	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M-H"	-1.007276
"907479"	591.353824	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-H"	-1.007276
"49828"	1200.741471	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M-2H+NH4"	16.019271
"491575"	1793.102571	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M-2H+NH4"	16.019271
"867190"	608.380371	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-2H+NH4"	16.019271
"37280"	1205.696866	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M-2H+Na"	20.974666
"475747"	1798.057966	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M-2H+Na"	20.974666
"848721"	613.335766	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-2H+Na"	20.974666
"1630375"	613.335766	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Na-2H"	20.974666
"103986"	609.342163	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M-H+Cl"	33.962126
"543550"	905.522713	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M-H+Cl"	33.962126
"938521"	313.161613	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-H+Cl"	33.962126
"277806"	1219.691602	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+Cl"	34.969402
"666947"	1812.052702	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+Cl"	34.969402
"1279720"	627.330502	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Cl"	34.969402
"23002"	1221.670806	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M-2H+K"	36.948606
"464753"	1814.031906	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M-2H+K"	36.948606
"844016"	629.309706	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-2H+K"	36.948606
"1566774"	629.309706	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+K-2H"	36.948606
"953926"	637.359294	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-H+HCOOH"	44.998194
"369588"	1229.720401	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+HCOOH-H"	44.998201
"352749"	1243.736051	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+Hac-H"	59.013851
"1503766"	651.374951	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Hac-H"	59.013851
"968758"	659.341251	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-H+NaCOOH"	66.980151
"120213"	627.330502	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+2Cl"	69.938804
"560507"	923.511052	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+2Cl"	69.938804
"1032222"	331.149952	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2Cl"	69.938804
"1252529"	671.279985	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Br"	78.918885
"1312793"	673.335972	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Cl+HCOOH"	80.974872
"1327008"	695.317929	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Cl+NaCOOH"	102.956829
"918430"	705.346686	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M-H+CF3COOH"	112.985586
"1292588"	741.323364	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Cl+CF3COOH"	148.962264
"1377310"	557.348424	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H-2H2O"	-35.012676
"1386788"	575.3584	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H-H2O"	-17.0027
"287569"	1185.729476	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+H"	1.007276
"688013"	1778.090576	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+H"	1.007276
"1361080"	593.368376	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H"	1.007276
"138344"	593.368376	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+2H"	2.014552
"580457"	889.548926	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+2H"	2.014552
"1050717"	297.187826	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2H"	2.014552
"214609"	395.914676	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+3H"	3.021828
"655263"	593.368376	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+3H"	3.021828
"1177887"	198.460976	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+3H"	3.021828
"436662"	1202.756023	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+NH4"	18.033823
"793283"	1795.117123	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+NH4"	18.033823
"1695080"	610.394923	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+NH4"	18.033823
"341170"	601.8816495	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+H+NH4"	19.041099
"732497"	898.0621995	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+H+NH4"	19.041099
"1488500"	305.7010995	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H+NH4"	19.041099
"400623"	1207.711418	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+Na"	22.989218
"767097"	1800.072518	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+Na"	22.989218
"1614102"	615.350318	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Na"	22.989218
"319764"	604.359347	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+H+Na"	23.996494
"714373"	900.539897	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+H+Na"	23.996494
"1464912"	308.178797	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H+Na"	23.996494
"1061435"	205.78829	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2H+Na"	25.00377
"1267488"	625.394586	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+CH3OH+H"	33.033486
"378771"	1223.685358	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+K"	38.963158
"744880"	1816.046458	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+K"	38.963158
"1545840"	631.324258	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+K"	38.963158
"299734"	612.346317	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+H+K"	39.970434
"697625"	908.526867	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+H+K"	39.970434
"1448164"	316.165767	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H+K"	39.970434
"244421"	1226.756026	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+ACN+H"	42.033826
"1220047"	634.394926	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+ACN+H"	42.033826
"1202836"	317.701101	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+ACN+2H"	43.041102
"197165"	1229.69336	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+2Na-H"	44.97116
"635635"	1822.05446	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+2Na-H"	44.97116
"1139139"	637.33226	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2Na-H"	44.97116
"180244"	615.350318	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+2Na"	45.978436
"618346"	911.530868	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+2Na"	45.978436
"1121487"	319.169768	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2Na"	45.978436
"1404646"	213.115604	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H+2Na"	46.985712
"1434576"	639.373846	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H+HCOOH"	47.012746
"228647"	620.38334	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+3H2O+2H"	56.04448
"1517809"	653.42589	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+IsoProp+H"	61.06479
"417496"	623.337288	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+Na+K"	61.952376
"780676"	919.517838	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+Na+K"	61.952376
"1669355"	327.156738	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Na+K"	61.952376
"255874"	1248.737968	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+ACN+Na"	64.015768
"1226758"	656.376868	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+ACN+Na"	64.015768
"1715279"	656.400393	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+NH4+HCOOH"	64.039293
"1180633"	220.442918	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+3Na"	68.967654
"1653806"	661.355788	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Na+HCOOH"	68.994688
"159575"	1261.64124	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+2K-H"	76.91904
"598401"	1854.00234	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+2K-H"	76.91904
"1085463"	669.28014	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2K-H"	76.91904
"142649"	631.324258	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"2M+2K"	77.926316
"582934"	927.504808	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"3M+2K"	77.926316
"1070727"	335.143708	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2K"	77.926316
"1102116"	671.294692	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2K+H"	78.933592
"1337042"	671.382307	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+DMSO+H"	79.021207
"1006909"	675.421476	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2ACN+H"	83.060376
"1525524"	676.415108	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+IsoProp+Na+H"	84.054008
"992704"	338.214376	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+2ACN+2H"	84.067652
"1588420"	677.329728	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+K+HCOOH"	84.968628
"1418332"	707.361238	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+H+CF3COOH"	115.000138
"1151902"	358.727651	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+3ACN+2H"	125.094202
"1702549"	724.387785	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+NH4+CF3COOH"	132.026685
"1635647"	729.34318	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+Na+CF3COOH"	136.98208
"1578228"	745.31712	"C04859"	"(20S22S25S)-2225-Epoxyfurost-5-ene-3beta26-diol 3-O-beta-D-glucoside"	"C33H52O9"	"592.3611"	"M+K+CF3COOH"	152.95602
"814789"	666.2219	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M"	0
"989705"	647.20351	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"71465"	443.140657333333	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"509930"	665.214624	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"886639"	221.066690666667	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"4120"	665.214624	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"450242"	998.325574	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"822576"	332.103674	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"88036"	1331.436524	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"523224"	1997.658424	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"908682"	665.214624	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"49937"	1348.463071	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"490591"	2014.684971	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"870582"	682.241171	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"42495"	1353.418466	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"478045"	2019.640366	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"856939"	687.196566	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1628662"	687.196566	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"105921"	683.202963	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"542567"	1016.313913	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"938995"	350.092013	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"277916"	1367.413202	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"665964"	2033.635102	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1279466"	701.191302	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"24207"	1369.392406	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"467052"	2035.614306	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"843761"	703.170506	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1566161"	703.170506	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"952950"	711.220094	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"371159"	1377.442001	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"352862"	1391.457651	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1501692"	725.235751	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"968140"	733.202051	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"120688"	701.191302	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"562076"	1034.302252	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1031970"	368.080352	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1253732"	745.140785	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1317276"	747.196772	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1334047"	769.178729	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"922552"	779.207486	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1301447"	815.184164	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1377421"	631.209224	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1397962"	649.2192	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"298258"	1333.451076	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"691043"	1999.672976	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1365933"	667.229176	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"139548"	667.229176	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"581134"	1000.340126	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1051190"	334.118226	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"219869"	445.155209333333	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"659671"	667.229176	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1178456"	223.081242666667	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"439896"	1350.477623	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"798860"	2016.699523	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1696449"	684.255723	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"345251"	675.7424495	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"734795"	1008.8533995	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1488614"	342.6314995	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"402923"	1355.433018	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"768301"	2021.654918	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1614213"	689.211118	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"323155"	678.220147	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"713389"	1011.331097	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1463930"	345.109197	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1064827"	230.408556666667	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1266505"	699.255386	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"378883"	1371.406958	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"743899"	2037.628858	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1545950"	705.185058	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"303126"	686.207117	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"698828"	1019.318067	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1457389"	353.096167	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"247448"	1374.477626	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1219431"	708.255726	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1203313"	354.631501	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"197278"	1377.41496	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"640121"	2043.63686	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1140345"	711.19306	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"181448"	689.211118	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"621009"	1022.322068	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1120868"	356.100168	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1405852"	237.735870666667	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1439062"	713.234646	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"234834"	694.24414	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1517921"	727.28669	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"417607"	697.198088	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"780790"	1030.309038	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1673839"	364.087138	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"260358"	1396.459568	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1231972"	730.237668	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1721950"	730.261193	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1187304"	245.063184666667	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1657197"	735.216588	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"160778"	1409.36284	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"600338"	2075.58474	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1090316"	743.14094	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"146039"	705.185058	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"586693"	1038.296008	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1079954"	372.074108	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1107696"	745.155492	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1339709"	745.243107	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1006657"	749.282276	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1529644"	750.275908	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"992815"	375.144776	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1589504"	751.190528	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1418442"	781.222038	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1152013"	395.658051	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1705939"	798.248585	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1635031"	803.20398	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1578338"	819.17792	"C04861"	"13-alpha-D-Mannosyl-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"805422"	786.56	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M"	0
"985519"	767.54161	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-H2O-H"	-19.01839
"67200"	523.366057333333	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M-3H"	-3.021828
"504572"	785.552724	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M-3H"	-3.021828
"881280"	261.179390666667	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-3H"	-3.021828
"4229"	785.552724	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M-2H"	-2.014552
"447071"	1178.832724	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M-2H"	-2.014552
"818674"	392.272724	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-2H"	-2.014552
"82679"	1572.112724	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M-H"	-1.007276
"522600"	2358.672724	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M-H"	-1.007276
"900044"	785.552724	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-H"	-1.007276
"50411"	1589.139271	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M-2H+NH4"	16.019271
"487662"	2375.699271	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M-2H+NH4"	16.019271
"870692"	802.579271	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-2H+NH4"	16.019271
"42604"	1594.094666	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M-2H+Na"	20.974666
"477062"	2380.654666	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M-2H+Na"	20.974666
"855956"	807.534666	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-2H+Na"	20.974666
"1625490"	807.534666	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Na-2H"	20.974666
"107124"	803.541063	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M-H+Cl"	33.962126
"547049"	1196.821063	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M-H+Cl"	33.962126
"939105"	410.261063	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-H+Cl"	33.962126
"275840"	1608.089402	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+Cl"	34.969402
"666074"	2394.649402	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+Cl"	34.969402
"1287229"	821.529402	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Cl"	34.969402
"24681"	1610.068606	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M-2H+K"	36.948606
"468252"	2396.628606	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M-2H+K"	36.948606
"846422"	823.508606	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-2H+K"	36.948606
"1567362"	823.508606	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+K-2H"	36.948606
"955610"	831.558194	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-H+HCOOH"	44.998194
"371269"	1618.118201	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+HCOOH-H"	44.998201
"355158"	1632.133851	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+Hac-H"	59.013851
"1502895"	845.573851	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Hac-H"	59.013851
"968250"	853.540151	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-H+NaCOOH"	66.980151
"117881"	821.529402	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+2Cl"	69.938804
"561092"	1214.809402	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+2Cl"	69.938804
"1033536"	428.249402	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2Cl"	69.938804
"1253843"	865.478885	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Br"	78.918885
"1316292"	867.534872	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Cl+HCOOH"	80.974872
"1328324"	889.516829	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Cl+NaCOOH"	102.956829
"919380"	899.545586	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M-H+CF3COOH"	112.985586
"1296089"	935.522264	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Cl+CF3COOH"	148.962264
"1374251"	751.547324	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H-2H2O"	-35.012676
"1398424"	769.5573	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H-H2O"	-17.0027
"297512"	1574.127276	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+H"	1.007276
"691154"	2360.687276	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+H"	1.007276
"1365675"	787.567276	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H"	1.007276
"141185"	787.567276	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+2H"	2.014552
"581377"	1180.847276	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+2H"	2.014552
"1052760"	394.287276	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2H"	2.014552
"219976"	525.380609333333	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+3H"	3.021828
"659618"	787.567276	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+3H"	3.021828
"1178109"	263.193942666667	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+3H"	3.021828
"439436"	1591.153823	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+NH4"	18.033823
"797876"	2377.713823	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+NH4"	18.033823
"1696033"	804.593823	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+NH4"	18.033823
"344309"	796.0805495	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+H+NH4"	19.041099
"735998"	1189.3605495	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+H+NH4"	19.041099
"1488725"	402.8005495	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H+NH4"	19.041099
"405949"	1596.109218	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+Na"	22.989218
"769808"	2382.669218	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+Na"	22.989218
"1616509"	809.549218	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Na"	22.989218
"325452"	798.558247	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+H+Na"	23.996494
"714592"	1191.838247	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+H+Na"	23.996494
"1468414"	405.278247	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H+Na"	23.996494
"1057284"	270.521256666667	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2H+Na"	25.00377
"1269896"	819.593486	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+CH3OH+H"	33.033486
"380814"	1612.083158	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+K"	38.963158
"746194"	2398.643158	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+K"	38.963158
"1547152"	825.523158	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+K"	38.963158
"306515"	806.545217	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+H+K"	39.970434
"701123"	1199.825217	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+H+K"	39.970434
"1458957"	413.265217	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H+K"	39.970434
"247922"	1615.153826	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+ACN+H"	42.033826
"1221363"	828.593826	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+ACN+H"	42.033826
"1204516"	414.800551	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+ACN+2H"	43.041102
"196294"	1618.09116	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+2Na-H"	44.97116
"635858"	2404.65116	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+2Na-H"	44.97116
"1138268"	831.53116	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2Na-H"	44.97116
"182651"	809.549218	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+2Na"	45.978436
"621119"	1202.829218	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+2Na"	45.978436
"1123529"	416.269218	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2Na"	45.978436
"1407055"	277.848570666667	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H+2Na"	46.985712
"1438079"	833.572746	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H+HCOOH"	47.012746
"232149"	814.58224	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+3H2O+2H"	56.04448
"1519125"	847.62479	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+IsoProp+H"	61.06479
"417718"	817.536188	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+Na+K"	61.952376
"780899"	1210.816188	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+Na+K"	61.952376
"1675041"	424.256188	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Na+K"	61.952376
"260467"	1637.135768	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+ACN+Na"	64.015768
"1234269"	850.575768	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+ACN+Na"	64.015768
"1719873"	850.599293	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+NH4+HCOOH"	64.039293
"1186320"	285.175884666667	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+3Na"	68.967654
"1655120"	855.554688	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Na+HCOOH"	68.994688
"159065"	1650.03904	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+2K-H"	76.91904
"599716"	2436.59904	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+2K-H"	76.91904
"1089333"	863.47904	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2K-H"	76.91904
"147243"	825.523158	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"2M+2K"	77.926316
"585708"	1218.803158	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"3M+2K"	77.926316
"1074595"	432.243158	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2K"	77.926316
"1104524"	865.493592	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2K+H"	78.933592
"1340176"	865.581207	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+DMSO+H"	79.021207
"1006524"	869.620376	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2ACN+H"	83.060376
"1526474"	870.614008	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+IsoProp+Na+H"	84.054008
"994019"	435.313826	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+2ACN+2H"	84.067652
"1587548"	871.528628	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+K+HCOOH"	84.968628
"1416365"	901.560138	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+H+CF3COOH"	115.000138
"1148843"	455.827101	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+3ACN+2H"	125.094202
"1702769"	918.586685	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+NH4+CF3COOH"	132.026685
"1636234"	923.54208	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+Na+CF3COOH"	136.98208
"1578448"	939.51602	"C04862"	"1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine"	"C40H86NO7P2S"	"786.56"	"M+K+CF3COOH"	152.95602
"805532"	459.0683	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M"	0
"985629"	440.04991	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-H2O-H"	-19.01839
"65124"	305.038257333333	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M-3H"	-3.021828
"504682"	458.061024	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M-3H"	-3.021828
"880037"	152.015490666667	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-3H"	-3.021828
"1059"	458.061024	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M-2H"	-2.014552
"442808"	687.595174	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M-2H"	-2.014552
"818174"	228.526874	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-2H"	-2.014552
"82789"	917.129324	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M-H"	-1.007276
"520280"	1376.197624	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M-H"	-1.007276
"896874"	458.061024	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-H"	-1.007276
"48090"	934.155871	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M-2H+NH4"	16.019271
"487280"	1393.224171	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M-2H+NH4"	16.019271
"870802"	475.087571	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-2H+NH4"	16.019271
"35423"	939.111266	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M-2H+Na"	20.974666
"476077"	1398.179566	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M-2H+Na"	20.974666
"853879"	480.042966	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-2H+Na"	20.974666
"1623413"	480.042966	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Na-2H"	20.974666
"107598"	476.049363	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M-H+Cl"	33.962126
"542783"	705.583513	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M-H+Cl"	33.962126
"939946"	246.515213	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-H+Cl"	33.962126
"277043"	953.106002	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+Cl"	34.969402
"665091"	1412.174302	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+Cl"	34.969402
"1287218"	494.037702	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Cl"	34.969402
"24427"	955.085206	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M-2H+K"	36.948606
"467269"	1414.153506	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M-2H+K"	36.948606
"847628"	496.016906	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-2H+K"	36.948606
"1567471"	496.016906	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+K-2H"	36.948606
"952076"	504.066494	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-H+HCOOH"	44.998194
"373564"	963.134801	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+HCOOH-H"	44.998201
"357088"	977.150451	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+Hac-H"	59.013851
"1502640"	518.082151	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Hac-H"	59.013851
"967632"	526.048451	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-H+NaCOOH"	66.980151
"119450"	494.037702	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+2Cl"	69.938804
"559015"	723.571852	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+2Cl"	69.938804
"1030732"	264.503552	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2Cl"	69.938804
"1253588"	537.987185	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Br"	78.918885
"1308018"	540.043172	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Cl+HCOOH"	80.974872
"1329527"	562.025129	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Cl+NaCOOH"	102.956829
"914023"	572.053886	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M-H+CF3COOH"	112.985586
"1296199"	608.030564	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Cl+CF3COOH"	148.962264
"1373266"	424.055624	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H-2H2O"	-35.012676
"1392953"	442.0656	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H-H2O"	-17.0027
"294827"	919.143876	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+H"	1.007276
"689073"	1378.212176	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+H"	1.007276
"1361411"	460.075576	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H"	1.007276
"135393"	460.075576	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+2H"	2.014552
"581254"	689.609726	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+2H"	2.014552
"1052628"	230.541426	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2H"	2.014552
"219681"	307.052809333333	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+3H"	3.021828
"659849"	460.075576	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+3H"	3.021828
"1177854"	154.030042666667	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+3H"	3.021828
"439307"	936.170423	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+NH4"	18.033823
"799810"	1395.238723	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+NH4"	18.033823
"1696145"	477.102123	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+NH4"	18.033823
"343691"	468.5888495	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+H+NH4"	19.041099
"736111"	698.1229995	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+H+NH4"	19.041099
"1489927"	239.0546995	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H+NH4"	19.041099
"405331"	941.125818	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+Na"	22.989218
"769778"	1400.194118	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+Na"	22.989218
"1616255"	482.057518	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Na"	22.989218
"326655"	471.066547	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+H+Na"	23.996494
"714702"	700.600697	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+H+Na"	23.996494
"1466336"	241.532397	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H+Na"	23.996494
"1057758"	161.357356666667	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2H+Na"	25.00377
"1262353"	492.101786	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+CH3OH+H"	33.033486
"378738"	957.099758	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+K"	38.963158
"749583"	1416.168058	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+K"	38.963158
"1546167"	498.031458	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+K"	38.963158
"302250"	479.053517	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+H+K"	39.970434
"697955"	708.587667	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+H+K"	39.970434
"1450681"	249.519367	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H+K"	39.970434
"244751"	960.170426	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+ACN+H"	42.033826
"1221473"	501.102126	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+ACN+H"	42.033826
"1201708"	251.054701	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+ACN+2H"	43.041102
"196402"	963.10776	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+2Na-H"	44.97116
"635964"	1422.17606	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+2Na-H"	44.97116
"1139470"	504.03946	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2Na-H"	44.97116
"182761"	482.057518	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+2Na"	45.978436
"620137"	711.591668	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+2Na"	45.978436
"1126919"	252.523368	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2Na"	45.978436
"1410445"	168.684670666667	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H+2Na"	46.985712
"1436002"	506.081046	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H+HCOOH"	47.012746
"230068"	487.09054	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+3H2O+2H"	56.04448
"1521419"	520.13309	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+IsoProp+H"	61.06479
"420014"	490.044488	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+Na+K"	61.952376
"781008"	719.578638	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+Na+K"	61.952376
"1674058"	260.510338	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Na+K"	61.952376
"255838"	982.152368	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+ACN+Na"	64.015768
"1230369"	523.084068	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+ACN+Na"	64.015768
"1717796"	523.107593	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+NH4+HCOOH"	64.039293
"1186430"	176.011984666667	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+3Na"	68.967654
"1658510"	528.062988	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Na+HCOOH"	68.994688
"157958"	995.05564	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+2K-H"	76.91904
"601648"	1454.12394	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+2K-H"	76.91904
"1085189"	535.98734	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2K-H"	76.91904
"144073"	498.031458	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"2M+2K"	77.926316
"583023"	727.565608	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"3M+2K"	77.926316
"1071425"	268.497308	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2K"	77.926316
"1103540"	538.001892	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2K+H"	78.933592
"1339921"	538.089507	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+DMSO+H"	79.021207
"1007365"	542.128676	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2ACN+H"	83.060376
"1526584"	543.122308	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+IsoProp+Na+H"	84.054008
"994129"	271.567976	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+2ACN+2H"	84.067652
"1588630"	544.036928	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+K+HCOOH"	84.968628
"1416475"	574.068438	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+H+CF3COOH"	115.000138
"1150046"	292.081251	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+3ACN+2H"	125.094202
"1702879"	591.094985	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+NH4+CF3COOH"	132.026685
"1636344"	596.05038	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+Na+CF3COOH"	136.98208
"1578558"	612.02432	"C04864"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 4-sulfate"	"C14H21NO14S"	"459.0683"	"M+K+CF3COOH"	152.95602
"805642"	459.0683	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M"	0
"985739"	440.04991	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-H2O-H"	-19.01839
"67420"	305.038257333333	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M-3H"	-3.021828
"505886"	458.061024	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M-3H"	-3.021828
"880159"	152.015490666667	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-3H"	-3.021828
"3355"	458.061024	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M-2H"	-2.014552
"446198"	687.595174	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M-2H"	-2.014552
"818531"	228.526874	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-2H"	-2.014552
"85085"	917.129324	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M-H"	-1.007276
"523553"	1376.197624	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M-H"	-1.007276
"895773"	458.061024	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-H"	-1.007276
"49164"	934.155871	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M-2H+NH4"	16.019271
"487999"	1393.224171	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M-2H+NH4"	16.019271
"865565"	475.087571	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-2H+NH4"	16.019271
"33345"	939.111266	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M-2H+Na"	20.974666
"473028"	1398.179566	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M-2H+Na"	20.974666
"848757"	480.042966	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-2H+Na"	20.974666
"1621335"	480.042966	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Na-2H"	20.974666
"100051"	476.049363	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M-H+Cl"	33.962126
"542893"	705.583513	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M-H+Cl"	33.962126
"934221"	246.515213	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-H+Cl"	33.962126
"278247"	953.106002	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+Cl"	34.969402
"669575"	1412.174302	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+Cl"	34.969402
"1279793"	494.037702	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Cl"	34.969402
"23444"	955.085206	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M-2H+K"	36.948606
"466285"	1414.153506	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M-2H+K"	36.948606
"844816"	496.016906	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-2H+K"	36.948606
"1568676"	496.016906	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+K-2H"	36.948606
"954373"	504.066494	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-H+HCOOH"	44.998194
"373310"	963.134801	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+HCOOH-H"	44.998201
"358657"	977.150451	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+Hac-H"	59.013851
"1500930"	518.082151	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Hac-H"	59.013851
"967378"	526.048451	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-H+NaCOOH"	66.980151
"117373"	494.037702	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+2Cl"	69.938804
"558036"	723.571852	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+2Cl"	69.938804
"1033029"	264.503552	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2Cl"	69.938804
"1254427"	537.987185	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Br"	78.918885
"1314324"	540.043172	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Cl+HCOOH"	80.974872
"1330731"	562.025129	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Cl+NaCOOH"	102.956829
"922881"	572.053886	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M-H+CF3COOH"	112.985586
"1297402"	608.030564	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Cl+CF3COOH"	148.962264
"1375565"	424.055624	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H-2H2O"	-35.012676
"1394886"	442.0656	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H-H2O"	-17.0027
"297003"	919.143876	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+H"	1.007276
"690401"	1378.212176	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+H"	1.007276
"1365531"	460.075576	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H"	1.007276
"139513"	460.075576	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+2H"	2.014552
"581113"	689.609726	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+2H"	2.014552
"1052505"	230.541426	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2H"	2.014552
"219061"	307.052809333333	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+3H"	3.021828
"657889"	460.075576	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+3H"	3.021828
"1178052"	154.030042666667	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+3H"	3.021828
"439746"	936.170423	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+NH4"	18.033823
"800777"	1395.238723	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+NH4"	18.033823
"1696744"	477.102123	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+NH4"	18.033823
"344655"	468.5888495	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+H+NH4"	19.041099
"737317"	698.1229995	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+H+NH4"	19.041099
"1490039"	239.0546995	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H+NH4"	19.041099
"405441"	941.125818	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+Na"	22.989218
"768143"	1400.194118	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+Na"	22.989218
"1616971"	482.057518	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Na"	22.989218
"325308"	471.066547	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+H+Na"	23.996494
"714812"	700.600697	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+H+Na"	23.996494
"1464988"	241.532397	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H+Na"	23.996494
"1054952"	161.357356666667	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2H+Na"	25.00377
"1259546"	492.101786	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+CH3OH+H"	33.033486
"382126"	957.099758	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+K"	38.963158
"741297"	1416.168058	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+K"	38.963158
"1546271"	498.031458	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+K"	38.963158
"301267"	479.053517	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+H+K"	39.970434
"696971"	708.587667	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+H+K"	39.970434
"1450791"	249.519367	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H+K"	39.970434
"244861"	960.170426	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+ACN+H"	42.033826
"1223769"	501.102126	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+ACN+H"	42.033826
"1201454"	251.054701	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+ACN+2H"	43.041102
"196876"	963.10776	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+2Na-H"	44.97116
"636800"	1422.17606	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+2Na-H"	44.97116
"1138851"	504.03946	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2Na-H"	44.97116
"182870"	482.057518	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+2Na"	45.978436
"623526"	711.591668	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+2Na"	45.978436
"1127760"	252.523368	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2Na"	45.978436
"1410557"	168.684670666667	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H+2Na"	46.985712
"1438299"	506.081046	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H+HCOOH"	47.012746
"233461"	487.09054	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+3H2O+2H"	56.04448
"1516062"	520.13309	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+IsoProp+H"	61.06479
"421217"	490.044488	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+Na+K"	61.952376
"780024"	719.578638	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+Na+K"	61.952376
"1671252"	260.510338	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Na+K"	61.952376
"259594"	982.152368	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+ACN+Na"	64.015768
"1232666"	523.084068	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+ACN+Na"	64.015768
"1716813"	523.107593	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+NH4+HCOOH"	64.039293
"1188727"	176.011984666667	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+3Na"	68.967654
"1658620"	528.062988	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Na+HCOOH"	68.994688
"157419"	995.05564	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+2K-H"	76.91904
"599573"	1454.12394	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+2K-H"	76.91904
"1085179"	535.98734	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2K-H"	76.91904
"143090"	498.031458	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"2M+2K"	77.926316
"582404"	727.565608	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"3M+2K"	77.926316
"1069347"	268.497308	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2K"	77.926316
"1103650"	538.001892	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2K+H"	78.933592
"1338940"	538.089507	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+DMSO+H"	79.021207
"1006256"	542.128676	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2ACN+H"	83.060376
"1525600"	543.122308	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+IsoProp+Na+H"	84.054008
"991322"	271.567976	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+2ACN+2H"	84.067652
"1588740"	544.036928	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+K+HCOOH"	84.968628
"1414519"	574.068438	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+H+CF3COOH"	115.000138
"1147967"	292.081251	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+3ACN+2H"	125.094202
"1697886"	591.094985	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+NH4+CF3COOH"	132.026685
"1636454"	596.05038	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+Na+CF3COOH"	136.98208
"1578668"	612.02432	"C04865"	"4-Deoxy-beta-D-gluc-4-enuronosyl-(13)-N-acetyl-D-galactosamine 6-sulfate;beta-D-4-deoxy-Delta4-GlcAp-(1-3)-D-GalNAc6S"	"C14H21NO14S"	"459.0683"	"M+K+CF3COOH"	152.95602
"805753"	280.2038	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M"	0
"979288"	261.18541	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-H2O-H"	-19.01839
"67530"	185.795257333333	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M-3H"	-3.021828
"505996"	279.196524	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M-3H"	-3.021828
"881124"	92.3939906666667	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-3H"	-3.021828
"3466"	279.196524	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M-2H"	-2.014552
"446308"	419.298424	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M-2H"	-2.014552
"819735"	139.094624	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-2H"	-2.014552
"84101"	559.400324	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M-H"	-1.007276
"524756"	839.604124	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M-H"	-1.007276
"901462"	279.196524	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-H"	-1.007276
"48547"	576.426871	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M-2H+NH4"	16.019271
"491024"	856.630671	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M-2H+NH4"	16.019271
"865911"	296.223071	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-2H+NH4"	16.019271
"34548"	581.382266	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M-2H+Na"	20.974666
"474110"	861.586066	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M-2H+Na"	20.974666
"854099"	301.178466	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-2H+Na"	20.974666
"1622539"	301.178466	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Na-2H"	20.974666
"94934"	297.184863	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M-H+Cl"	33.962126
"539720"	437.286763	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M-H+Cl"	33.962126
"932142"	157.082963	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-H+Cl"	33.962126
"268511"	595.377002	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+Cl"	34.969402
"666402"	875.580802	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+Cl"	34.969402
"1276254"	315.173202	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Cl"	34.969402
"23189"	597.356206	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M-2H+K"	36.948606
"465665"	877.560006	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M-2H+K"	36.948606
"846018"	317.152406	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-2H+K"	36.948606
"1566591"	317.152406	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+K-2H"	36.948606
"956667"	325.201994	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-H+HCOOH"	44.998194
"374515"	605.405801	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+HCOOH-H"	44.998201
"358763"	619.421451	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+Hac-H"	59.013851
"1504316"	339.217651	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Hac-H"	59.013851
"970764"	347.183951	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-H+NaCOOH"	66.980151
"121496"	315.173202	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+2Cl"	69.938804
"561423"	455.275102	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+2Cl"	69.938804
"1032042"	175.071302	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2Cl"	69.938804
"1242875"	359.122685	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Br"	78.918885
"1307874"	361.178672	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Cl+HCOOH"	80.974872
"1322091"	383.160629	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Cl+NaCOOH"	102.956829
"920803"	393.189386	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M-H+CF3COOH"	112.985586
"1293137"	429.166064	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Cl+CF3COOH"	148.962264
"1373486"	245.191124	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H-2H2O"	-35.012676
"1385151"	263.2011	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H-H2O"	-17.0027
"293952"	561.414876	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+H"	1.007276
"686374"	841.618676	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+H"	1.007276
"1361628"	281.211076	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H"	1.007276
"141047"	281.211076	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+2H"	2.014552
"581182"	421.312976	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+2H"	2.014552
"1052210"	141.109176	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2H"	2.014552
"218073"	187.809809333333	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+3H"	3.021828
"658971"	281.211076	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+3H"	3.021828
"1177352"	94.4085426666667	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+3H"	3.021828
"439168"	578.441423	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+NH4"	18.033823
"800518"	858.645223	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+NH4"	18.033823
"1696491"	298.237623	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+NH4"	18.033823
"345261"	289.7243495	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+H+NH4"	19.041099
"738163"	429.8262495	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+H+NH4"	19.041099
"1486870"	149.6224495	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H+NH4"	19.041099
"404456"	583.396818	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+Na"	22.989218
"768376"	863.600618	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+Na"	22.989218
"1614647"	303.193018	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Na"	22.989218
"324690"	292.202047	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+H+Na"	23.996494
"713829"	432.303947	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+H+Na"	23.996494
"1466556"	152.100147	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H+Na"	23.996494
"1056155"	101.735856666667	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2H+Na"	25.00377
"1264758"	313.237286	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+CH3OH+H"	33.033486
"387705"	599.370758	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+K"	38.963158
"741407"	879.574558	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+K"	38.963158
"1542014"	319.166958	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+K"	38.963158
"299916"	300.189017	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+H+K"	39.970434
"693792"	440.290917	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+H+K"	39.970434
"1450901"	160.087117	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H+K"	39.970434
"239502"	602.441426	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+ACN+H"	42.033826
"1212575"	322.237626	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+ACN+H"	42.033826
"1196822"	161.622451	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+ACN+2H"	43.041102
"195162"	605.37876	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+2Na-H"	44.97116
"634359"	885.58256	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+2Na-H"	44.97116
"1138958"	325.17496	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2Na-H"	44.97116
"181890"	303.193018	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+2Na"	45.978436
"620356"	443.294918	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+2Na"	45.978436
"1123862"	163.091118	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2Na"	45.978436
"1408480"	109.063170666667	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H+2Na"	46.985712
"1434763"	327.216546	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H+HCOOH"	47.012746
"232482"	308.22604	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+3H2O+2H"	56.04448
"1519451"	341.26859	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+IsoProp+H"	61.06479
"420232"	311.179988	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+Na+K"	61.952376
"776489"	451.281888	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+Na+K"	61.952376
"1675372"	171.078088	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Na+K"	61.952376
"262986"	624.423368	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+ACN+Na"	64.015768
"1235691"	344.219568	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+ACN+Na"	64.015768
"1718016"	344.243093	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+NH4+HCOOH"	64.039293
"1188837"	116.390484666667	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+3Na"	68.967654
"1650144"	349.198488	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Na+HCOOH"	68.994688
"157529"	637.32664	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+2K-H"	76.91904
"598591"	917.53044	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+2K-H"	76.91904
"1086383"	357.12284	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2K-H"	76.91904
"143200"	319.166958	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"2M+2K"	77.926316
"582636"	459.268858	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"3M+2K"	77.926316
"1072740"	179.065058	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2K"	77.926316
"1101939"	359.137392	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2K+H"	78.933592
"1336500"	359.225007	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+DMSO+H"	79.021207
"1006612"	363.264176	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2ACN+H"	83.060376
"1524980"	364.257808	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+IsoProp+Na+H"	84.054008
"992161"	182.135726	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+2ACN+2H"	84.067652
"1587759"	365.172428	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+K+HCOOH"	84.968628
"1415603"	395.203938	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+H+CF3COOH"	115.000138
"1148200"	202.649001	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+3ACN+2H"	125.094202
"1700912"	412.230485	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+NH4+CF3COOH"	132.026685
"1635833"	417.18588	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+Na+CF3COOH"	136.98208
"1578778"	433.15982	"C04867"	"Juvenile hormone II;Methyl (2E6E)-(10R11S)-1011-epoxy-3711-trimethyltrideca-26-dienoate"	"C17H28O3"	"280.2038"	"M+K+CF3COOH"	152.95602
"802583"	361.0329	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M"	0
"982678"	342.01451	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-H2O-H"	-19.01839
"62864"	239.681324	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M-3H"	-3.021828
"503919"	360.025624	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M-3H"	-3.021828
"880627"	119.337024	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-3H"	-3.021828
"1390"	360.025624	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M-2H"	-2.014552
"442045"	540.542074	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M-2H"	-2.014552
"818873"	179.509174	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-2H"	-2.014552
"83119"	721.058524	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M-H"	-1.007276
"520736"	1082.091424	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M-H"	-1.007276
"896714"	360.025624	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-H"	-1.007276
"50481"	738.085071	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M-2H+NH4"	16.019271
"491133"	1099.117971	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M-2H+NH4"	16.019271
"865776"	377.052171	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-2H+NH4"	16.019271
"32102"	743.040466	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M-2H+Na"	20.974666
"474220"	1104.073366	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M-2H+Na"	20.974666
"850075"	382.007566	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-2H+Na"	20.974666
"1621556"	382.007566	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Na-2H"	20.974666
"96988"	378.013963	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M-H+Cl"	33.962126
"536550"	558.530413	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M-H+Cl"	33.962126
"930064"	197.497513	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-H+Cl"	33.962126
"269715"	757.035202	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+Cl"	34.969402
"660555"	1118.068102	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+Cl"	34.969402
"1276364"	396.002302	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Cl"	34.969402
"21474"	759.014406	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M-2H+K"	36.948606
"467233"	1120.047306	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M-2H+K"	36.948606
"844671"	397.981506	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-2H+K"	36.948606
"1567065"	397.981506	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+K-2H"	36.948606
"956778"	406.031094	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-H+HCOOH"	44.998194
"373168"	767.064001	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+HCOOH-H"	44.998201
"357781"	781.079651	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+Hac-H"	59.013851
"1504790"	420.046751	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Hac-H"	59.013851
"969781"	428.013051	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-H+NaCOOH"	66.980151
"122335"	396.002302	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+2Cl"	69.938804
"562625"	576.518752	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+2Cl"	69.938804
"1034339"	215.485852	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2Cl"	69.938804
"1244445"	439.951785	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Br"	78.918885
"1308349"	442.007772	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Cl+HCOOH"	80.974872
"1325481"	463.989729	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Cl+NaCOOH"	102.956829
"923099"	474.018486	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M-H+CF3COOH"	112.985586
"1300537"	509.995164	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Cl+CF3COOH"	148.962264
"1376876"	326.020224	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H-2H2O"	-35.012676
"1386719"	344.0302	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H-H2O"	-17.0027
"287500"	723.073076	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+H"	1.007276
"684295"	1084.105976	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+H"	1.007276
"1360645"	362.040176	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H"	1.007276
"141156"	362.040176	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+2H"	2.014552
"581112"	542.556626	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+2H"	2.014552
"1052756"	181.523726	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2H"	2.014552
"219904"	241.695876	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+3H"	3.021828
"657015"	362.040176	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+3H"	3.021828
"1178447"	121.351576	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+3H"	3.021828
"439762"	740.099623	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+NH4"	18.033823
"800503"	1101.132523	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+NH4"	18.033823
"1694644"	379.066723	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+NH4"	18.033823
"345603"	370.5534495	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+H+NH4"	19.041099
"738310"	551.0698995	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+H+NH4"	19.041099
"1490991"	190.0369995	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H+NH4"	19.041099
"405659"	745.055018	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+Na"	22.989218
"762287"	1106.087918	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+Na"	22.989218
"1613665"	384.022118	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Na"	22.989218
"323703"	373.031147	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+H+Na"	23.996494
"711750"	553.547597	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+H+Na"	23.996494
"1464476"	192.514697	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H+Na"	23.996494
"1054077"	128.67889	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2H+Na"	25.00377
"1260493"	394.066386	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+CH3OH+H"	33.033486
"383440"	761.028958	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+K"	38.963158
"739211"	1122.061858	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+K"	38.963158
"1543217"	399.996058	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+K"	38.963158
"304763"	381.018117	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+H+K"	39.970434
"694995"	561.534567	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+H+K"	39.970434
"1445742"	200.501667	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H+K"	39.970434
"235878"	764.099626	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+ACN+H"	42.033826
"1210374"	403.066726	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+ACN+H"	42.033826
"1194455"	202.037001	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+ACN+2H"	43.041102
"197824"	767.03696	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+2Na-H"	44.97116
"635562"	1128.06986	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+2Na-H"	44.97116
"1137245"	406.00406	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2Na-H"	44.97116
"181635"	384.022118	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+2Na"	45.978436
"622653"	564.538568	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+2Na"	45.978436
"1121786"	203.505668	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2Na"	45.978436
"1408590"	136.006204	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H+2Na"	46.985712
"1436332"	408.045646	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H+HCOOH"	47.012746
"231135"	389.05514	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+3H2O+2H"	56.04448
"1517374"	422.09769	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+IsoProp+H"	61.06479
"422529"	392.009088	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+Na+K"	61.952376
"778058"	572.525538	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+Na+K"	61.952376
"1674389"	211.492638	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Na+K"	61.952376
"260907"	786.081568	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+ACN+Na"	64.015768
"1230698"	425.048668	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+ACN+Na"	64.015768
"1714845"	425.072193	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+NH4+HCOOH"	64.039293
"1185667"	143.333518	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+3Na"	68.967654
"1651916"	430.027588	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Na+HCOOH"	68.994688
"157684"	798.98484	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+2K-H"	76.91904
"598701"	1160.01774	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+2K-H"	76.91904
"1086493"	437.95194	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2K-H"	76.91904
"144403"	399.996058	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"2M+2K"	77.926316
"582504"	580.512508	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"3M+2K"	77.926316
"1070663"	219.479608	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2K"	77.926316
"1100706"	439.966492	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2K+H"	78.933592
"1336366"	440.054107	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+DMSO+H"	79.021207
"1005825"	444.093276	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2ACN+H"	83.060376
"1525332"	445.086908	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+IsoProp+Na+H"	84.054008
"991298"	222.550276	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+2ACN+2H"	84.067652
"1588962"	446.001528	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+K+HCOOH"	84.968628
"1414228"	476.033038	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+H+CF3COOH"	115.000138
"1147296"	243.063551	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+3ACN+2H"	125.094202
"1697862"	493.059585	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+NH4+CF3COOH"	132.026685
"1634605"	498.01498	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+Na+CF3COOH"	136.98208
"1578888"	513.98892	"C04871"	"Haloxyfop;(RS)-2-4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxypropionic acid"	"C15H11ClF3NO4"	"361.0329"	"M+K+CF3COOH"	152.95602
"805974"	735.5839	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M"	0
"982788"	716.56551	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-H2O-H"	-19.01839
"66658"	489.381990666667	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M-3H"	-3.021828
"506217"	734.576624	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M-3H"	-3.021828
"884019"	244.187357333333	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-3H"	-3.021828
"1864"	734.576624	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M-2H"	-2.014552
"442518"	1102.368574	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M-2H"	-2.014552
"818495"	366.784674	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-2H"	-2.014552
"83228"	1470.160524	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M-H"	-1.007276
"520966"	2205.744424	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M-H"	-1.007276
"897551"	734.576624	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-H"	-1.007276
"48160"	1487.187071	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M-2H+NH4"	16.019271
"490148"	2222.770971	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M-2H+NH4"	16.019271
"865764"	751.603171	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-2H+NH4"	16.019271
"32090"	1492.142466	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M-2H+Na"	20.974666
"473479"	2227.726366	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M-2H+Na"	20.974666
"854319"	756.558566	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-2H+Na"	20.974666
"1621666"	756.558566	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Na-2H"	20.974666
"99288"	752.564963	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M-H+Cl"	33.962126
"536661"	1120.356913	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M-H+Cl"	33.962126
"928108"	384.773013	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-H+Cl"	33.962126
"268730"	1506.137202	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+Cl"	34.969402
"661638"	2241.721102	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+Cl"	34.969402
"1276110"	770.553302	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Cl"	34.969402
"22676"	1508.116406	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M-2H+K"	36.948606
"463332"	2243.700306	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M-2H+K"	36.948606
"842228"	772.532506	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-2H+K"	36.948606
"1571070"	772.532506	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+K-2H"	36.948606
"957253"	780.582094	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-H+HCOOH"	44.998194
"375831"	1516.166001	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+HCOOH-H"	44.998201
"356801"	1530.181651	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+Hac-H"	59.013851
"1505267"	794.597751	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Hac-H"	59.013851
"969893"	802.564051	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-H+NaCOOH"	66.980151
"122080"	770.553302	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+2Cl"	69.938804
"559456"	1138.345252	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+2Cl"	69.938804
"1032628"	402.761352	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2Cl"	69.938804
"1245648"	814.502785	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Br"	78.918885
"1310283"	816.558772	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Cl+HCOOH"	80.974872
"1326687"	838.540729	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Cl+NaCOOH"	102.956829
"918837"	848.569486	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M-H+CF3COOH"	112.985586
"1297732"	884.546164	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Cl+CF3COOH"	148.962264
"1380268"	700.571224	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H-2H2O"	-35.012676
"1393392"	718.5812	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H-H2O"	-17.0027
"295266"	1472.175076	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+H"	1.007276
"688418"	2207.758976	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+H"	1.007276
"1363672"	736.591176	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H"	1.007276
"141308"	736.591176	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+2H"	2.014552
"581306"	1104.383126	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+2H"	2.014552
"1052726"	368.799226	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2H"	2.014552
"219795"	491.396542666667	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+3H"	3.021828
"659905"	736.591176	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+3H"	3.021828
"1176709"	246.201909333333	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+3H"	3.021828
"439501"	1489.201623	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+NH4"	18.033823
"800251"	2224.785523	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+NH4"	18.033823
"1696217"	753.617723	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+NH4"	18.033823
"344862"	745.1044495	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+H+NH4"	19.041099
"736189"	1112.8963995	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+H+NH4"	19.041099
"1488185"	377.3124995	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H+NH4"	19.041099
"403582"	1494.157018	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+Na"	22.989218
"763492"	2229.740918	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+Na"	22.989218
"1613777"	758.573118	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Na"	22.989218
"323815"	747.582147	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+H+Na"	23.996494
"712953"	1115.374097	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+H+Na"	23.996494
"1463856"	379.790197	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H+Na"	23.996494
"1055280"	253.529223333333	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2H+Na"	25.00377
"1258173"	768.617386	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+CH3OH+H"	33.033486
"382458"	1510.130958	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+K"	38.963158
"742365"	2245.714858	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+K"	38.963158
"1544417"	774.547058	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+K"	38.963158
"302688"	755.569117	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+H+K"	39.970434
"697302"	1123.361067	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+H+K"	39.970434
"1450027"	387.777167	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H+K"	39.970434
"246285"	1513.201626	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+ACN+H"	42.033826
"1218993"	777.617726	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+ACN+H"	42.033826
"1203972"	389.312501	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+ACN+2H"	43.041102
"196843"	1516.13896	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+2Na-H"	44.97116
"634215"	2251.72286	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+2Na-H"	44.97116
"1137355"	780.55506	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2Na-H"	44.97116
"182109"	758.573118	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+2Na"	45.978436
"623858"	1126.365068	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+2Na"	45.978436
"1125176"	390.781168	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2Na"	45.978436
"1407608"	260.856537333333	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H+2Na"	46.985712
"1440817"	782.596646	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H+HCOOH"	47.012746
"230514"	763.60614	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+3H2O+2H"	56.04448
"1520768"	796.64869	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+IsoProp+H"	61.06479
"419360"	766.560088	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+Na+K"	61.952376
"776346"	1134.352038	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+Na+K"	61.952376
"1674498"	398.768138	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Na+K"	61.952376
"257373"	1535.183568	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+ACN+Na"	64.015768
"1232997"	799.599668	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+ACN+Na"	64.015768
"1720789"	799.623193	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+NH4+HCOOH"	64.039293
"1186870"	268.183851333333	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+3Na"	68.967654
"1658950"	804.578588	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Na+HCOOH"	68.994688
"158889"	1548.08684	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+2K-H"	76.91904
"597717"	2283.67074	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+2K-H"	76.91904
"1092072"	812.50294	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2K-H"	76.91904
"143421"	774.547058	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"2M+2K"	77.926316
"585167"	1142.339008	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"3M+2K"	77.926316
"1070407"	406.755108	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2K"	77.926316
"1100578"	814.517492	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2K+H"	78.933592
"1336961"	814.605107	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+DMSO+H"	79.021207
"1006948"	818.644276	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2ACN+H"	83.060376
"1525315"	819.637908	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+IsoProp+Na+H"	84.054008
"992008"	409.825776	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+2ACN+2H"	84.067652
"1588343"	820.552528	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+K+HCOOH"	84.968628
"1414731"	850.584038	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+H+CF3COOH"	115.000138
"1147814"	430.339051	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+3ACN+2H"	125.094202
"1698946"	867.610585	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+NH4+CF3COOH"	132.026685
"1634266"	872.56598	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+Na+CF3COOH"	136.98208
"1585561"	888.53992	"C04873"	"1-Hexadecylthio-2-hexadecanoylamino-12-dideoxy-sn-glycero-3-phosphocholine"	"C40H84N2O5PS"	"735.5839"	"M+K+CF3COOH"	152.95602
"809364"	255.0968	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M"	0
"987272"	236.07841	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-H2O-H"	-19.01839
"67861"	169.057257333333	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M-3H"	-3.021828
"507420"	254.089524	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M-3H"	-3.021828
"887409"	84.0249906666667	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-3H"	-3.021828
"4161"	254.089524	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M-2H"	-2.014552
"451011"	381.637924	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M-2H"	-2.014552
"819700"	126.541124	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-2H"	-2.014552
"81516"	509.186324	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M-H"	-1.007276
"522899"	764.283124	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M-H"	-1.007276
"897421"	254.089524	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-H"	-1.007276
"49243"	526.212871	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M-2H+NH4"	16.019271
"490263"	781.309671	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M-2H+NH4"	16.019271
"865146"	271.116071	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-2H+NH4"	16.019271
"32930"	531.168266	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M-2H+Na"	20.974666
"473468"	786.265066	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M-2H+Na"	20.974666
"853336"	276.071466	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-2H+Na"	20.974666
"1619101"	276.071466	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Na-2H"	20.974666
"98304"	272.077863	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M-H+Cl"	33.962126
"535432"	399.626263	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M-H+Cl"	33.962126
"927485"	144.529463	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-H+Cl"	33.962126
"270299"	545.163002	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+Cl"	34.969402
"661627"	800.259802	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+Cl"	34.969402
"1274032"	290.066202	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Cl"	34.969402
"20234"	547.142206	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M-2H+K"	36.948606
"459794"	802.239006	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M-2H+K"	36.948606
"839057"	292.045406	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-2H+K"	36.948606
"1570693"	292.045406	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+K-2H"	36.948606
"957324"	300.094994	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-H+HCOOH"	44.998194
"376754"	555.191801	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+HCOOH-H"	44.998201
"359096"	569.207451	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+Hac-H"	59.013851
"1502463"	314.110651	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Hac-H"	59.013851
"968911"	322.076951	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-H+NaCOOH"	66.980151
"122554"	290.066202	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+2Cl"	69.938804
"561753"	417.614602	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+2Cl"	69.938804
"1031646"	162.517802	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2Cl"	69.938804
"1247945"	334.015685	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Br"	78.918885
"1316589"	336.071672	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Cl+HCOOH"	80.974872
"1330077"	358.053629	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Cl+NaCOOH"	102.956829
"920040"	368.082386	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M-H+CF3COOH"	112.985586
"1302581"	404.059064	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Cl+CF3COOH"	148.962264
"1382203"	220.084124	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H-2H2O"	-35.012676
"1392409"	238.0941	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H-H2O"	-17.0027
"294283"	511.200876	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+H"	1.007276
"688892"	766.297676	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+H"	1.007276
"1364148"	256.104076	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H"	1.007276
"141311"	256.104076	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+2H"	2.014552
"581216"	383.652476	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+2H"	2.014552
"1052578"	128.555676	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2H"	2.014552
"219498"	171.071809333333	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+3H"	3.021828
"658580"	256.104076	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+3H"	3.021828
"1177549"	86.0395426666667	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+3H"	3.021828
"438639"	528.227423	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+NH4"	18.033823
"800362"	783.324223	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+NH4"	18.033823
"1695598"	273.130623	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+NH4"	18.033823
"345303"	264.6173495	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+H+NH4"	19.041099
"737397"	392.1657495	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+H+NH4"	19.041099
"1492580"	137.0689495	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H+NH4"	19.041099
"403692"	533.182818	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+Na"	22.989218
"761417"	788.279618	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+Na"	22.989218
"1614981"	278.086018	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Na"	22.989218
"323924"	267.095047	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+H+Na"	23.996494
"715253"	394.643447	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+H+Na"	23.996494
"1463967"	139.546647	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H+Na"	23.996494
"1055754"	93.3668566666667	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2H+Na"	25.00377
"1258892"	288.130286	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+CH3OH+H"	33.033486
"384757"	549.156758	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+K"	38.963158
"741382"	804.253558	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+K"	38.963158
"1542705"	294.059958	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+K"	38.963158
"302068"	275.082017	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+H+K"	39.970434
"698506"	402.630417	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+H+K"	39.970434
"1446978"	147.533617	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H+K"	39.970434
"243115"	552.227426	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+ACN+H"	42.033826
"1215822"	297.130626	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+ACN+H"	42.033826
"1196547"	149.068951	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+ACN+2H"	43.041102
"189293"	555.16476	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+2Na-H"	44.97116
"634325"	810.26156	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+2Na-H"	44.97116
"1134550"	300.06796	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2Na-H"	44.97116
"181121"	278.086018	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+2Na"	45.978436
"622870"	405.634418	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+2Na"	45.978436
"1125284"	150.537618	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2Na"	45.978436
"1407718"	100.694170666667	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H+2Na"	46.985712
"1435459"	302.109546	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H+HCOOH"	47.012746
"228437"	283.11904	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+3H2O+2H"	56.04448
"1523065"	316.16159	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+IsoProp+H"	61.06479
"421658"	286.072988	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+Na+K"	61.952376
"781559"	413.621388	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+Na+K"	61.952376
"1674609"	158.524588	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Na+K"	61.952376
"260036"	574.209368	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+ACN+Na"	64.015768
"1233106"	319.112568	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+ACN+Na"	64.015768
"1721629"	319.136093	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+NH4+HCOOH"	64.039293
"1190261"	108.021484666667	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+3Na"	68.967654
"1655779"	324.091488	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Na+HCOOH"	68.994688
"162645"	587.11264	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+2K-H"	76.91904
"598310"	842.20944	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+2K-H"	76.91904
"1086715"	332.01584	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2K-H"	76.91904
"142800"	294.059958	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"2M+2K"	77.926316
"587464"	421.608358	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"3M+2K"	77.926316
"1071976"	166.511558	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2K"	77.926316
"1101540"	334.030392	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2K+H"	78.933592
"1337921"	334.118007	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+DMSO+H"	79.021207
"1006333"	338.157176	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2ACN+H"	83.060376
"1525672"	339.150808	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+IsoProp+Na+H"	84.054008
"991269"	169.582226	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+2ACN+2H"	84.067652
"1589182"	340.065428	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+K+HCOOH"	84.968628
"1415083"	370.096938	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+H+CF3COOH"	115.000138
"1148411"	190.095501	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+3ACN+2H"	125.094202
"1698084"	387.123485	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+NH4+CF3COOH"	132.026685
"1635070"	392.07888	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+Na+CF3COOH"	136.98208
"1585671"	408.05282	"C04874"	"2-Amino-4-hydroxy-6-(D-erythro-123-trihydroxypropyl)-78-dihydropteridine;Dihydroneopterin;78-Dihydroneopterin"	"C9H13N5O4"	"255.0968"	"M+K+CF3COOH"	152.95602
"812755"	293.1991	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M"	0
"985197"	274.18071	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-H2O-H"	-19.01839
"75627"	194.458790666667	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M-3H"	-3.021828
"515186"	292.191824	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M-3H"	-3.021828
"892987"	96.7257573333333	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-3H"	-3.021828
"7188"	292.191824	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M-2H"	-2.014552
"447841"	438.791374	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M-2H"	-2.014552
"820905"	145.592274	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-2H"	-2.014552
"85637"	585.390924	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M-H"	-1.007276
"519367"	878.590024	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M-H"	-1.007276
"896436"	292.191824	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-H"	-1.007276
"48016"	602.417471	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M-2H+NH4"	16.019271
"488184"	895.616571	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M-2H+NH4"	16.019271
"864380"	309.218371	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-2H+NH4"	16.019271
"31824"	607.372866	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M-2H+Na"	20.974666
"472850"	900.571966	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M-2H+Na"	20.974666
"853447"	314.173766	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-2H+Na"	20.974666
"1620794"	314.173766	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Na-2H"	20.974666
"95620"	310.180163	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M-H+Cl"	33.962126
"534450"	456.779713	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M-H+Cl"	33.962126
"927348"	163.580613	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-H+Cl"	33.962126
"270043"	621.367602	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+Cl"	34.969402
"660399"	914.566702	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+Cl"	34.969402
"1273412"	328.168502	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Cl"	34.969402
"15885"	623.346806	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M-2H+K"	36.948606
"458081"	916.545906	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M-2H+K"	36.948606
"839894"	330.147706	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-2H+K"	36.948606
"1567031"	330.147706	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+K-2H"	36.948606
"957592"	338.197294	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-H+HCOOH"	44.998194
"370946"	631.396401	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+HCOOH-H"	44.998201
"360299"	645.412051	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+Hac-H"	59.013851
"1506942"	352.212951	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Hac-H"	59.013851
"970841"	360.179251	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-H+NaCOOH"	66.980151
"121935"	328.168502	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+2Cl"	69.938804
"559675"	474.768052	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+2Cl"	69.938804
"1030663"	181.568952	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2Cl"	69.938804
"1250243"	372.117985	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Br"	78.918885
"1313783"	374.173972	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Cl+HCOOH"	80.974872
"1333467"	396.155929	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Cl+NaCOOH"	102.956829
"916870"	406.184686	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M-H+CF3COOH"	112.985586
"1300868"	442.161364	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Cl+CF3COOH"	148.962264
"1382312"	258.186424	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H-2H2O"	-35.012676
"1395801"	276.1964	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H-H2O"	-17.0027
"297673"	587.405476	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+H"	1.007276
"689367"	880.604576	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+H"	1.007276
"1363894"	294.206376	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H"	1.007276
"141405"	294.206376	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+2H"	2.014552
"581336"	440.805926	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+2H"	2.014552
"1052696"	147.606826	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2H"	2.014552
"219731"	196.473342666667	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+3H"	3.021828
"657710"	294.206376	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+3H"	3.021828
"1176562"	98.7403093333333	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+3H"	3.021828
"438379"	604.432023	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+NH4"	18.033823
"797552"	897.631123	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+NH4"	18.033823
"1696976"	311.232923	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+NH4"	18.033823
"343620"	302.7196495	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+H+NH4"	19.041099
"737989"	449.3191995	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+H+NH4"	19.041099
"1492295"	156.1200995	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H+NH4"	19.041099
"402709"	609.387418	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+Na"	22.989218
"763713"	902.586518	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+Na"	22.989218
"1612906"	316.188318	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Na"	22.989218
"322941"	305.197347	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+H+Na"	23.996494
"720830"	451.796897	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+H+Na"	23.996494
"1464076"	158.597797	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H+Na"	23.996494
"1055136"	106.067623333333	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2H+Na"	25.00377
"1259003"	326.232586	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+CH3OH+H"	33.033486
"382679"	625.361358	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+K"	38.963158
"740761"	918.560458	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+K"	38.963158
"1544638"	332.162258	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+K"	38.963158
"301085"	313.184317	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+H+K"	39.970434
"698616"	459.783867	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+H+K"	39.970434
"1450247"	166.584767	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H+K"	39.970434
"243225"	628.432026	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+ACN+H"	42.033826
"1215932"	335.232926	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+ACN+H"	42.033826
"1196900"	168.120101	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+ACN+2H"	43.041102
"192687"	631.36936	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+2Na-H"	44.97116
"633342"	924.56846	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+2Na-H"	44.97116
"1135023"	338.17026	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2Na-H"	44.97116
"178315"	316.188318	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+2Na"	45.978436
"624803"	462.787868	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+2Na"	45.978436
"1125393"	169.588768	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2Na"	45.978436
"1411108"	113.394937333333	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H+2Na"	46.985712
"1436662"	340.211846	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H+HCOOH"	47.012746
"228547"	321.22134	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+3H2O+2H"	56.04448
"1523054"	354.26389	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+IsoProp+H"	61.06479
"423469"	324.175288	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+Na+K"	61.952376
"780575"	470.774838	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+Na+K"	61.952376
"1673626"	177.575738	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Na+K"	61.952376
"259052"	650.413968	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+ACN+Na"	64.015768
"1232854"	357.214868	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+ACN+Na"	64.015768
"1720648"	357.238393	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+NH4+HCOOH"	64.039293
"1188186"	120.722251333333	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+3Na"	68.967654
"1663544"	362.193788	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Na+HCOOH"	68.994688
"162390"	663.31724	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+2K-H"	76.91904
"601585"	956.51634	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+2K-H"	76.91904
"1089013"	370.11814	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2K-H"	76.91904
"143643"	332.162258	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"2M+2K"	77.926316
"587576"	478.761808	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"3M+2K"	77.926316
"1075369"	185.562708	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2K"	77.926316
"1102017"	372.132692	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2K+H"	78.933592
"1337185"	372.220307	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+DMSO+H"	79.021207
"1008026"	376.259476	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2ACN+H"	83.060376
"1525783"	377.253108	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+IsoProp+Na+H"	84.054008
"991506"	188.633376	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+2ACN+2H"	84.067652
"1588441"	378.167728	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+K+HCOOH"	84.968628
"1414500"	408.199238	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+H+CF3COOH"	115.000138
"1151802"	209.146651	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+3ACN+2H"	125.094202
"1698194"	425.225785	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+NH4+CF3COOH"	132.026685
"1636274"	430.18118	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+Na+CF3COOH"	136.98208
"1585781"	446.15512	"C04875"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-1234-tetrahydro-1-naphthol;(-)-Dihydrobunolol"	"C17H27NO3"	"293.1991"	"M+K+CF3COOH"	152.95602
"806304"	854.3393	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M"	0
"986399"	835.32091	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-H2O-H"	-19.01839
"72456"	568.552257333333	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M-3H"	-3.021828
"507641"	853.332024	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M-3H"	-3.021828
"886537"	283.772490666667	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-3H"	-3.021828
"7298"	853.332024	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M-2H"	-2.014552
"447951"	1280.501674	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M-2H"	-2.014552
"821382"	426.162374	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-2H"	-2.014552
"84654"	1707.671324	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M-H"	-1.007276
"518555"	2562.010624	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M-H"	-1.007276
"895936"	853.332024	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-H"	-1.007276
"47269"	1724.697871	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M-2H+NH4"	16.019271
"487354"	2579.037171	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M-2H+NH4"	16.019271
"864399"	870.358571	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-2H+NH4"	16.019271
"31468"	1729.653266	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M-2H+Na"	20.974666
"475755"	2583.992566	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M-2H+Na"	20.974666
"852464"	875.313966	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-2H+Na"	20.974666
"1621998"	875.313966	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Na-2H"	20.974666
"95609"	871.320363	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M-H+Cl"	33.962126
"535166"	1298.490013	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M-H+Cl"	33.962126
"927747"	444.150713	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-H+Cl"	33.962126
"268208"	1743.648002	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+Cl"	34.969402
"660467"	2597.987302	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+Cl"	34.969402
"1274616"	889.308702	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Cl"	34.969402
"17537"	1745.627206	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M-2H+K"	36.948606
"458191"	2599.966506	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M-2H+K"	36.948606
"838911"	891.287906	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-2H+K"	36.948606
"1560580"	891.287906	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+K-2H"	36.948606
"955757"	899.337494	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-H+HCOOH"	44.998194
"373243"	1753.676801	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+HCOOH-H"	44.998201
"359316"	1767.692451	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+Hac-H"	59.013851
"1504866"	913.353151	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Hac-H"	59.013851
"970222"	921.319451	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-H+NaCOOH"	66.980151
"122046"	889.308702	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+2Cl"	69.938804
"559786"	1316.478352	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+2Cl"	69.938804
"1032230"	462.139052	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2Cl"	69.938804
"1248165"	933.258185	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Br"	78.918885
"1310613"	935.314172	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Cl+HCOOH"	80.974872
"1332484"	957.296129	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Cl+NaCOOH"	102.956829
"916980"	967.324886	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M-H+CF3COOH"	112.985586
"1298062"	1003.301564	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Cl+CF3COOH"	148.962264
"1381693"	819.326624	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H-2H2O"	-35.012676
"1394817"	837.3366	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H-H2O"	-17.0027
"296326"	1709.685876	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+H"	1.007276
"689112"	2564.025176	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+H"	1.007276
"1364002"	855.346576	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H"	1.007276
"140911"	855.346576	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+2H"	2.014552
"581324"	1282.516226	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+2H"	2.014552
"1052431"	428.176926	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2H"	2.014552
"219720"	570.566809333333	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+3H"	3.021828
"658913"	855.346576	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+3H"	3.021828
"1177280"	285.787042666667	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+3H"	3.021828
"438124"	1726.712423	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+NH4"	18.033823
"797661"	2581.051723	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+NH4"	18.033823
"1696180"	872.373123	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+NH4"	18.033823
"345557"	863.8598495	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+H+NH4"	19.041099
"738301"	1291.0294995	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+H+NH4"	19.041099
"1488515"	436.6901995	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H+NH4"	19.041099
"401726"	1731.667818	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+Na"	22.989218
"762730"	2586.007118	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+Na"	22.989218
"1610830"	877.328518	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Na"	22.989218
"323052"	866.337547	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+H+Na"	23.996494
"717660"	1293.507197	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+H+Na"	23.996494
"1462366"	439.167897	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H+Na"	23.996494
"1052854"	293.114356666667	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2H+Na"	25.00377
"1257654"	887.372786	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+CH3OH+H"	33.033486
"378780"	1747.641758	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+K"	38.963158
"739003"	2601.981058	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+K"	38.963158
"1542562"	893.302458	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+K"	38.963158
"299130"	874.324517	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+H+K"	39.970434
"699819"	1301.494167	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+H+K"	39.970434
"1450357"	447.154867	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H+K"	39.970434
"242242"	1750.712426	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+ACN+H"	42.033826
"1212762"	896.373126	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+ACN+H"	42.033826
"1196646"	448.690201	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+ACN+2H"	43.041102
"188868"	1753.64976	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+2Na-H"	44.97116
"630899"	2607.98906	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+2Na-H"	44.97116
"1131508"	899.31046	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2Na-H"	44.97116
"174413"	877.328518	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+2Na"	45.978436
"621995"	1304.498168	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+2Na"	45.978436
"1121127"	450.158868	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2Na"	45.978436
"1409032"	300.441670666667	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H+2Na"	46.985712
"1436772"	901.352046	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H+HCOOH"	47.012746
"228657"	882.36154	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+3H2O+2H"	56.04448
"1522191"	915.40409	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+IsoProp+H"	61.06479
"420783"	885.315488	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+Na+K"	61.952376
"782872"	1312.485138	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+Na+K"	61.952376
"1673736"	458.145838	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Na+K"	61.952376
"256976"	1772.694368	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+ACN+Na"	64.015768
"1231870"	918.355068	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+ACN+Na"	64.015768
"1724034"	918.378593	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+NH4+HCOOH"	64.039293
"1190481"	307.768984666667	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+3Na"	68.967654
"1655998"	923.333988	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Na+HCOOH"	68.994688
"158486"	1785.59764	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+2K-H"	76.91904
"601328"	2639.93694	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+2K-H"	76.91904
"1085596"	931.25834	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2K-H"	76.91904
"142413"	893.302458	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"2M+2K"	77.926316
"587685"	1320.472108	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"3M+2K"	77.926316
"1070011"	466.132808	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2K"	77.926316
"1101029"	933.272892	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2K+H"	78.933592
"1335683"	933.360507	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+DMSO+H"	79.021207
"1005713"	937.399676	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2ACN+H"	83.060376
"1525530"	938.393308	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+IsoProp+Na+H"	84.054008
"991128"	469.203476	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+2ACN+2H"	84.067652
"1587821"	939.307928	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+K+HCOOH"	84.968628
"1414241"	969.339438	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+H+CF3COOH"	115.000138
"1151912"	489.716751	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+3ACN+2H"	125.094202
"1698183"	986.365985	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+NH4+CF3COOH"	132.026685
"1636384"	991.32138	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+Na+CF3COOH"	136.98208
"1585891"	1007.29532	"C04876"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine"	"C33H54N6O20"	"854.3393"	"M+K+CF3COOH"	152.95602
"806414"	1051.2672	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M"	0
"986509"	1032.24881	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H2O-H"	-19.01839
"73659"	699.837524	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-3H"	-3.021828
"507751"	1050.259924	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-3H"	-3.021828
"887740"	349.415124	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-3H"	-3.021828
"7408"	1050.259924	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H"	-2.014552
"451341"	1575.893524	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H"	-2.014552
"822585"	524.626324	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H"	-2.014552
"80753"	2101.527124	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-H"	-1.007276
"519218"	3152.794324	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-H"	-1.007276
"896287"	1050.259924	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H"	-1.007276
"47987"	2118.553671	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H+NH4"	16.019271
"487669"	3169.820871	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H+NH4"	16.019271
"864996"	1067.286471	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H+NH4"	16.019271
"32278"	2123.509066	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H+Na"	20.974666
"474772"	3174.776266	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H+Na"	20.974666
"852574"	1072.241866	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H+Na"	20.974666
"1621378"	1072.241866	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na-2H"	20.974666
"97905"	1068.248263	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-H+Cl"	33.962126
"535642"	1593.881863	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-H+Cl"	33.962126
"927450"	542.614663	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+Cl"	33.962126
"269535"	2137.503802	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Cl"	34.969402
"660292"	3188.771002	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+Cl"	34.969402
"1277641"	1086.236602	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl"	34.969402
"18740"	2139.483006	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H+K"	36.948606
"460123"	3190.750206	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H+K"	36.948606
"840111"	1088.215806	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H+K"	36.948606
"1558497"	1088.215806	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K-2H"	36.948606
"945288"	1096.265394	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+HCOOH"	44.998194
"370074"	2147.532601	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+HCOOH-H"	44.998201
"350677"	2161.548251	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Hac-H"	59.013851
"1499509"	1110.281051	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Hac-H"	59.013851
"967051"	1118.247351	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+NaCOOH"	66.980151
"118144"	1086.236602	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2Cl"	69.938804
"563176"	1611.870202	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2Cl"	69.938804
"1033796"	560.603002	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2Cl"	69.938804
"1249368"	1130.186085	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Br"	78.918885
"1310723"	1132.242072	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl+HCOOH"	80.974872
"1329314"	1154.224029	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl+NaCOOH"	102.956829
"917090"	1164.252786	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+CF3COOH"	112.985586
"1294892"	1200.229464	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl+CF3COOH"	148.962264
"1377428"	1016.254524	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H-2H2O"	-35.012676
"1396871"	1034.2645	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H-H2O"	-17.0027
"298016"	2103.541676	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H"	1.007276
"691086"	3154.808876	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H"	1.007276
"1366665"	1052.274476	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H"	1.007276
"140777"	1052.274476	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2H"	2.014552
"580823"	1577.908076	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2H"	2.014552
"1052299"	526.640876	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2H"	2.014552
"219105"	701.852076	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+3H"	3.021828
"659264"	1052.274476	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+3H"	3.021828
"1177886"	351.429676	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+3H"	3.021828
"439885"	2120.568223	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+NH4"	18.033823
"800687"	3171.835423	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+NH4"	18.033823
"1696578"	1069.301023	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+NH4"	18.033823
"345393"	1060.7877495	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H+NH4"	19.041099
"736627"	1586.4213495	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H+NH4"	19.041099
"1488625"	535.1541495	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+NH4"	19.041099
"402929"	2125.523618	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Na"	22.989218
"766119"	3176.790818	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+Na"	22.989218
"1613126"	1074.256418	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na"	22.989218
"325349"	1063.265447	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H+Na"	23.996494
"715583"	1588.899047	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H+Na"	23.996494
"1463936"	537.631847	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+Na"	23.996494
"1054995"	358.75699	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2H+Na"	25.00377
"1258128"	1084.300686	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+CH3OH+H"	33.033486
"378526"	2141.497558	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+K"	38.963158
"740615"	3192.764758	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+K"	38.963158
"1540598"	1090.230358	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K"	38.963158
"298801"	1071.252417	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H+K"	39.970434
"697742"	1596.886017	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H+K"	39.970434
"1449010"	545.618817	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+K"	39.970434
"242352"	2144.568226	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+ACN+H"	42.033826
"1215060"	1093.301026	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+ACN+H"	42.033826
"1198943"	547.154151	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+ACN+2H"	43.041102
"190355"	2147.50556	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2Na-H"	44.97116
"631009"	3198.77276	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2Na-H"	44.97116
"1135245"	1096.23836	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2Na-H"	44.97116
"178171"	1074.256418	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2Na"	45.978436
"619919"	1599.890018	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2Na"	45.978436
"1121237"	548.622818	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2Na"	45.978436
"1410236"	366.084304	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+2Na"	46.985712
"1441257"	1098.279946	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+HCOOH"	47.012746
"228767"	1079.28944	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+3H2O+2H"	56.04448
"1516471"	1112.33199	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+IsoProp+H"	61.06479
"417614"	1082.243388	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Na+K"	61.952376
"779703"	1607.876988	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+Na+K"	61.952376
"1669472"	556.609788	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na+K"	61.952376
"256356"	2166.550168	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+ACN+Na"	64.015768
"1226385"	1115.282968	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+ACN+Na"	64.015768
"1719771"	1115.306493	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+NH4+HCOOH"	64.039293
"1186216"	373.411618	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+3Na"	68.967654
"1657201"	1120.261888	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na+HCOOH"	68.994688
"158960"	2179.45344	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2K-H"	76.91904
"598641"	3230.72064	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2K-H"	76.91904
"1086312"	1128.18624	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2K-H"	76.91904
"144951"	1090.230358	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2K"	77.926316
"583660"	1615.863958	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2K"	77.926316
"1070842"	564.596758	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2K"	77.926316
"1101139"	1130.200792	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2K+H"	78.933592
"1337036"	1130.288407	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+DMSO+H"	79.021207
"1005888"	1134.327576	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2ACN+H"	83.060376
"1524420"	1135.321208	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+IsoProp+Na+H"	84.054008
"990072"	567.667426	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2ACN+2H"	84.067652
"1588418"	1136.235828	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K+HCOOH"	84.968628
"1414235"	1166.267338	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+CF3COOH"	115.000138
"1149836"	588.180701	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+3ACN+2H"	125.094202
"1697928"	1183.293885	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+NH4+CF3COOH"	132.026685
"1635401"	1188.24928	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na+CF3COOH"	136.98208
"1586001"	1204.22322	"C04877"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-26-diamino-heptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K+CF3COOH"	152.95602
"816366"	1332.7906	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M"	0
"989173"	1313.77221	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H2O-H"	-19.01839
"72676"	887.519790666667	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-3H"	-3.021828
"517704"	1331.783324	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-3H"	-3.021828
"894048"	443.256257333333	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-3H"	-3.021828
"11892"	1331.783324	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H"	-2.014552
"451454"	1998.178624	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H"	-2.014552
"825976"	665.388024	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H"	-2.014552
"81593"	2664.573924	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-H"	-1.007276
"521517"	3997.364524	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-H"	-1.007276
"896765"	1331.783324	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H"	-1.007276
"47738"	2681.600471	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H+NH4"	16.019271
"488395"	4014.391071	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H+NH4"	16.019271
"866075"	1348.809871	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H+NH4"	16.019271
"37506"	2686.555866	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H+Na"	20.974666
"477065"	4019.346466	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H+Na"	20.974666
"853775"	1353.765266	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H+Na"	20.974666
"1626589"	1353.765266	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na-2H"	20.974666
"102025"	1349.771663	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-H+Cl"	33.962126
"540491"	2016.166963	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-H+Cl"	33.962126
"932183"	683.376363	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+Cl"	33.962126
"268916"	2700.550602	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Cl"	34.969402
"661093"	4033.341202	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+Cl"	34.969402
"1277023"	1367.760002	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl"	34.969402
"21038"	2702.529806	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H+K"	36.948606
"460232"	4035.320406	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H+K"	36.948606
"840587"	1369.739206	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H+K"	36.948606
"1562987"	1369.739206	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K-2H"	36.948606
"951968"	1377.788794	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+HCOOH"	44.998194
"366904"	2710.579401	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+HCOOH-H"	44.998201
"351881"	2724.595051	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Hac-H"	59.013851
"1500713"	1391.804451	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Hac-H"	59.013851
"967161"	1399.770751	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+NaCOOH"	66.980151
"124093"	1367.760002	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2Cl"	69.938804
"562194"	2034.155302	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2Cl"	69.938804
"1027714"	701.364702	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2Cl"	69.938804
"1248386"	1411.709485	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Br"	78.918885
"1306460"	1413.765472	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl+HCOOH"	80.974872
"1325051"	1435.747429	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl+NaCOOH"	102.956829
"926195"	1445.776186	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+CF3COOH"	112.985586
"1303835"	1481.752864	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl+CF3COOH"	148.962264
"1380818"	1297.777924	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H-2H2O"	-35.012676
"1393942"	1315.7879	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H-H2O"	-17.0027
"298128"	2666.588476	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H"	1.007276
"690303"	3999.379076	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H"	1.007276
"1366049"	1333.797876	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H"	1.007276
"140639"	1333.797876	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2H"	2.014552
"580691"	2000.193176	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2H"	2.014552
"1052714"	667.402576	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2H"	2.014552
"219209"	889.534342666667	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+3H"	3.021828
"658161"	1333.797876	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+3H"	3.021828
"1177869"	445.270809333333	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+3H"	3.021828
"439943"	2683.615023	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+NH4"	18.033823
"801092"	4016.405623	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+NH4"	18.033823
"1696650"	1350.824423	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+NH4"	18.033823
"343955"	1342.3111495	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H+NH4"	19.041099
"736740"	2008.7064495	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H+NH4"	19.041099
"1489829"	675.9158495	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+NH4"	19.041099
"406329"	2688.570418	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Na"	22.989218
"766595"	4021.361018	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+Na"	22.989218
"1614330"	1355.779818	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na"	22.989218
"326550"	1344.788847	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H+Na"	23.996494
"707551"	2011.184147	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H+Na"	23.996494
"1464047"	678.393547	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+Na"	23.996494
"1057292"	452.598123333333	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2H+Na"	25.00377
"1261154"	1365.824086	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+CH3OH+H"	33.033486
"379729"	2704.544358	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+K"	38.963158
"739144"	4037.334958	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+K"	38.963158
"1543877"	1371.753758	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K"	38.963158
"299471"	1352.775817	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H+K"	39.970434
"700039"	2019.171117	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H+K"	39.970434
"1453863"	686.380517	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+K"	39.970434
"244650"	2707.615026	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+ACN+H"	42.033826
"1220278"	1374.824426	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+ACN+H"	42.033826
"1205253"	687.915851	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+ACN+2H"	43.041102
"195208"	2710.55236	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2Na-H"	44.97116
"640236"	4043.34296	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2Na-H"	44.97116
"1144469"	1377.76176	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2Na-H"	44.97116
"180469"	1355.779818	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2Na"	45.978436
"626469"	2022.175118	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2Na"	45.978436
"1126822"	689.384518	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2Na"	45.978436
"1407066"	459.925437333333	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+2Na"	46.985712
"1440278"	1379.803346	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+HCOOH"	47.012746
"227790"	1360.81284	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+3H2O+2H"	56.04448
"1512574"	1393.85539	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+IsoProp+H"	61.06479
"413352"	1363.766788	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Na+K"	61.952376
"773251"	2030.162088	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+Na+K"	61.952376
"1665729"	697.371488	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na+K"	61.952376
"252331"	2729.596968	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+ACN+Na"	64.015768
"1226295"	1396.806368	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+ACN+Na"	64.015768
"1723525"	1396.829893	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+NH4+HCOOH"	64.039293
"1184142"	467.252751333333	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+3Na"	68.967654
"1651116"	1401.785288	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na+HCOOH"	68.994688
"160532"	2742.50024	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2K-H"	76.91904
"598752"	4075.29084	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2K-H"	76.91904
"1086787"	1409.70964	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2K-H"	76.91904
"143603"	1371.753758	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2K"	77.926316
"587905"	2038.149058	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2K"	77.926316
"1069625"	705.358458	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2K"	77.926316
"1100320"	1411.724192	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2K+H"	78.933592
"1335773"	1411.811807	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+DMSO+H"	79.021207
"1005733"	1415.850976	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2ACN+H"	83.060376
"1524657"	1416.844608	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+IsoProp+Na+H"	84.054008
"991231"	708.429126	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2ACN+2H"	84.067652
"1587919"	1417.759228	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K+HCOOH"	84.968628
"1415158"	1447.790738	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+CF3COOH"	115.000138
"1149579"	728.942401	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+3ACN+2H"	125.094202
"1699859"	1464.817285	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+NH4+CF3COOH"	132.026685
"1636606"	1469.77268	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na+CF3COOH"	136.98208
"1586112"	1485.74662	"C04881"	"N-Acetyl-beta-D-mannosaminyl-14-N-acetyl-D-glucosaminyldiphosphoundecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K+CF3COOH"	152.95602
"806635"	1193.3414	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M"	0
"986729"	1174.32301	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-H2O-H"	-19.01839
"72786"	794.553657333333	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M-3H"	-3.021828
"516720"	1192.334124	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M-3H"	-3.021828
"894522"	396.773190666667	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-3H"	-3.021828
"10909"	1192.334124	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M-2H"	-2.014552
"450472"	1789.004824	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M-2H"	-2.014552
"824992"	595.663424	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-2H"	-2.014552
"81702"	2385.675524	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M-H"	-1.007276
"521265"	3579.016924	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M-H"	-1.007276
"896756"	1192.334124	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-H"	-1.007276
"48340"	2402.702071	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M-2H+NH4"	16.019271
"488263"	3596.043471	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M-2H+NH4"	16.019271
"865091"	1209.360671	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-2H+NH4"	16.019271
"37616"	2407.657466	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M-2H+Na"	20.974666
"476082"	3600.998866	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M-2H+Na"	20.974666
"854978"	1214.316066	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-2H+Na"	20.974666
"1626699"	1214.316066	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Na-2H"	20.974666
"103228"	1210.322463	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M-H+Cl"	33.962126
"543881"	1806.993163	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M-H+Cl"	33.962126
"932293"	613.651763	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-H+Cl"	33.962126
"269390"	2421.652202	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+Cl"	34.969402
"666189"	3614.993602	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+Cl"	34.969402
"1276040"	1228.310802	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Cl"	34.969402
"21513"	2423.631406	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M-2H+K"	36.948606
"460707"	3616.972806	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M-2H+K"	36.948606
"840700"	1230.290006	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-2H+K"	36.948606
"1567473"	1230.290006	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+K-2H"	36.948606
"953171"	1238.339594	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-H+HCOOH"	44.998194
"367014"	2431.681001	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+HCOOH-H"	44.998201
"353084"	2445.696651	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+Hac-H"	59.013851
"1499730"	1252.355251	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Hac-H"	59.013851
"966178"	1260.321551	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-H+NaCOOH"	66.980151
"124566"	1228.310802	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+2Cl"	69.938804
"562303"	1824.981502	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+2Cl"	69.938804
"1027824"	631.640102	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2Cl"	69.938804
"1248496"	1272.260285	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Br"	78.918885
"1306570"	1274.316272	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Cl+HCOOH"	80.974872
"1326254"	1296.298229	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Cl+NaCOOH"	102.956829
"923873"	1306.326986	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M-H+CF3COOH"	112.985586
"1301674"	1342.303664	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Cl+CF3COOH"	148.962264
"1380807"	1158.328724	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H-2H2O"	-35.012676
"1390772"	1176.3387	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H-H2O"	-17.0027
"295926"	2387.690076	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+H"	1.007276
"690292"	3581.031476	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+H"	1.007276
"1367011"	1194.348676	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H"	1.007276
"140629"	1194.348676	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+2H"	2.014552
"581381"	1791.019376	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+2H"	2.014552
"1052147"	597.677976	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2H"	2.014552
"219198"	796.568209333333	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+3H"	3.021828
"658392"	1194.348676	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+3H"	3.021828
"1177859"	398.787742666667	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+3H"	3.021828
"439064"	2404.716623	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+NH4"	18.033823
"801156"	3598.058023	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+NH4"	18.033823
"1696760"	1211.375223	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+NH4"	18.033823
"343699"	1202.8619495	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+H+NH4"	19.041099
"736486"	1799.5326495	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+H+NH4"	19.041099
"1488846"	606.1912495	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H+NH4"	19.041099
"408453"	2409.672018	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+Na"	22.989218
"767434"	3603.013418	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+Na"	22.989218
"1617357"	1216.330618	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Na"	22.989218
"327753"	1205.339647	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+H+Na"	23.996494
"710336"	1802.010347	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+H+Na"	23.996494
"1466343"	608.668947	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H+Na"	23.996494
"1058495"	406.115056666667	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2H+Na"	25.00377
"1264544"	1226.374886	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+CH3OH+H"	33.033486
"379840"	2425.645958	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+K"	38.963158
"740110"	3618.987358	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+K"	38.963158
"1541801"	1232.304558	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+K"	38.963158
"300797"	1213.326617	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+H+K"	39.970434
"693216"	1809.997317	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+H+K"	39.970434
"1450688"	616.655917	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H+K"	39.970434
"244760"	2428.716626	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+ACN+H"	42.033826
"1223303"	1235.375226	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+ACN+H"	42.033826
"1207913"	618.191251	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+ACN+2H"	43.041102
"196411"	2431.65396	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+2Na-H"	44.97116
"642777"	3624.99536	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+2Na-H"	44.97116
"1144943"	1238.31256	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2Na-H"	44.97116
"180579"	1216.330618	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+2Na"	45.978436
"626701"	1813.001318	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+2Na"	45.978436
"1126931"	619.659918	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2Na"	45.978436
"1408268"	413.442370666667	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H+2Na"	46.985712
"1441845"	1240.354146	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H+HCOOH"	47.012746
"229358"	1221.36364	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+3H2O+2H"	56.04448
"1515599"	1254.40619	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+IsoProp+H"	61.06479
"415649"	1224.317588	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+Na+K"	61.952376
"775913"	1820.988288	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+Na+K"	61.952376
"1667499"	627.646888	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Na+K"	61.952376
"253048"	2450.698568	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+ACN+Na"	64.015768
"1227459"	1257.357168	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+ACN+Na"	64.015768
"1724363"	1257.380693	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+NH4+HCOOH"	64.039293
"1184252"	420.769684666667	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+3Na"	68.967654
"1653779"	1262.336088	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Na+HCOOH"	68.994688
"159182"	2463.60184	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+2K-H"	76.91904
"599834"	3656.94324	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+2K-H"	76.91904
"1087991"	1270.26044	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2K-H"	76.91904
"146268"	1232.304558	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"2M+2K"	77.926316
"591295"	1828.975258	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"3M+2K"	77.926316
"1069614"	635.633858	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2K"	77.926316
"1100757"	1272.274992	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2K+H"	78.933592
"1337022"	1272.362607	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+DMSO+H"	79.021207
"1006888"	1276.401776	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2ACN+H"	83.060376
"1525741"	1277.395408	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+IsoProp+Na+H"	84.054008
"992678"	638.704526	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+2ACN+2H"	84.067652
"1588392"	1278.310028	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+K+HCOOH"	84.968628
"1416850"	1308.341538	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+H+CF3COOH"	115.000138
"1151510"	659.217801	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+3ACN+2H"	125.094202
"1700699"	1325.368085	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+NH4+CF3COOH"	132.026685
"1636716"	1330.32348	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+Na+CF3COOH"	136.98208
"1586222"	1346.29742	"C04882"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine"	"C41H65N9O28P2"	"1193.3414"	"M+K+CF3COOH"	152.95602
"806745"	291.1834	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M"	0
"986838"	272.16501	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H2O-H"	-19.01839
"76176"	193.114990666667	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-3H"	-3.021828
"518091"	290.176124	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-3H"	-3.021828
"895000"	96.0538573333333	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-3H"	-3.021828
"14301"	290.176124	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H"	-2.014552
"451678"	435.767824	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H"	-2.014552
"829477"	144.584424	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H"	-2.014552
"78692"	581.359524	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-H"	-1.007276
"519306"	872.542924	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-H"	-1.007276
"896136"	290.176124	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H"	-1.007276
"47839"	598.386071	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H+NH4"	16.019271
"487640"	889.569471	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H+NH4"	16.019271
"864636"	307.202671	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H+NH4"	16.019271
"32256"	603.341466	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H+Na"	20.974666
"475099"	894.524866	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H+Na"	20.974666
"853995"	312.158066	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H+Na"	20.974666
"1620611"	312.158066	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na-2H"	20.974666
"97141"	308.164463	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-H+Cl"	33.962126
"540711"	453.756163	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-H+Cl"	33.962126
"935319"	162.572763	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+Cl"	33.962126
"273878"	617.336202	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Cl"	34.969402
"665206"	908.519602	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+Cl"	34.969402
"1276514"	326.152802	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl"	34.969402
"23445"	619.315406	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H+K"	36.948606
"460820"	910.498806	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H+K"	36.948606
"838622"	328.132006	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H+K"	36.948606
"1567583"	328.132006	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K-2H"	36.948606
"953283"	336.181594	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+HCOOH"	44.998194
"376238"	627.365001	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+HCOOH-H"	44.998201
"356476"	641.380651	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Hac-H"	59.013851
"1500934"	350.197251	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Hac-H"	59.013851
"966288"	358.163551	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+NaCOOH"	66.980151
"125448"	326.152802	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2Cl"	69.938804
"564478"	471.744502	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2Cl"	69.938804
"1029028"	180.561102	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2Cl"	69.938804
"1248606"	370.102285	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Br"	78.918885
"1312148"	372.158272	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl+HCOOH"	80.974872
"1326364"	394.140229	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl+NaCOOH"	102.956829
"926536"	404.168986	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+CF3COOH"	112.985586
"1300691"	440.145664	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl+CF3COOH"	148.962264
"1374479"	256.170724	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H-2H2O"	-35.012676
"1395257"	274.1807	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H-H2O"	-17.0027
"298102"	583.374076	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H"	1.007276
"690973"	874.557476	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H"	1.007276
"1366149"	292.190676	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H"	1.007276
"139523"	292.190676	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2H"	2.014552
"580667"	437.782376	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2H"	2.014552
"1052137"	146.598976	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2H"	2.014552
"219070"	195.129542666667	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+3H"	3.021828
"659478"	292.190676	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+3H"	3.021828
"1177853"	98.0684093333333	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+3H"	3.021828
"439541"	600.400623	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+NH4"	18.033823
"801024"	891.584023	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+NH4"	18.033823
"1695897"	309.217223	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+NH4"	18.033823
"344419"	300.7039495	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H+NH4"	19.041099
"737205"	446.2956495	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H+NH4"	19.041099
"1487863"	155.1122495	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+NH4"	19.041099
"406914"	605.356018	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Na"	22.989218
"767909"	896.539418	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+Na"	22.989218
"1616737"	314.172618	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na"	22.989218
"327863"	303.181647	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H+Na"	23.996494
"707530"	448.773347	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H+Na"	23.996494
"1466455"	157.589947	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+Na"	23.996494
"1057513"	105.395723333333	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2H+Na"	25.00377
"1261378"	324.216886	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+CH3OH+H"	33.033486
"382137"	621.329958	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+K"	38.963158
"740586"	912.513358	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+K"	38.963158
"1541544"	330.146558	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K"	38.963158
"300907"	311.168617	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H+K"	39.970434
"691907"	456.760317	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H+K"	39.970434
"1452984"	165.576917	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+K"	39.970434
"243776"	624.400626	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+ACN+H"	42.033826
"1220859"	333.217226	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+ACN+H"	42.033826
"1206930"	167.112251	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+ACN+2H"	43.041102
"199801"	627.33796	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2Na-H"	44.97116
"643697"	918.52136	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2Na-H"	44.97116
"1144932"	336.15456	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2Na-H"	44.97116
"180689"	314.172618	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2Na"	45.978436
"627541"	459.764318	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2Na"	45.978436
"1127041"	168.580918	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2Na"	45.978436
"1409471"	112.723037333333	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+2Na"	46.985712
"1438308"	338.196146	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+HCOOH"	47.012746
"233110"	319.20564	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+3H2O+2H"	56.04448
"1518259"	352.24819	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+IsoProp+H"	61.06479
"417582"	322.159588	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Na+K"	61.952376
"780762"	467.751288	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+Na+K"	61.952376
"1669073"	176.567888	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na+K"	61.952376
"253405"	646.382568	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+ACN+Na"	64.015768
"1229026"	355.199168	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+ACN+Na"	64.015768
"1722288"	355.222693	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+NH4+HCOOH"	64.039293
"1182174"	120.050351333333	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+3Na"	68.967654
"1652065"	360.178088	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na+HCOOH"	68.994688
"160023"	659.28584	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2K-H"	76.91904
"600674"	950.46924	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2K-H"	76.91904
"1087739"	368.10244	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2K-H"	76.91904
"144191"	330.146558	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2K"	77.926316
"588125"	475.738258	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2K"	77.926316
"1068871"	184.554858	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2K"	77.926316
"1100866"	370.116992	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2K+H"	78.933592
"1335621"	370.204607	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+DMSO+H"	79.021207
"1007121"	374.243776	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2ACN+H"	83.060376
"1525974"	375.237408	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+IsoProp+Na+H"	84.054008
"992060"	187.625526	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2ACN+2H"	84.067652
"1588383"	376.152028	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K+HCOOH"	84.968628
"1417690"	406.183538	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+CF3COOH"	115.000138
"1150527"	208.138801	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+3ACN+2H"	125.094202
"1700809"	423.210085	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+NH4+CF3COOH"	132.026685
"1636826"	428.16548	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na+CF3COOH"	136.98208
"1586332"	444.13942	"C04883"	"(-)-5-(tert-Butylamino)-2-hydroxypropoxy-34-dihydro-1(2H)-naphthalenone;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K+CF3COOH"	152.95602
"813418"	674.2382	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M"	0
"980389"	655.21981	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-H2O-H"	-19.01839
"76285"	448.484857333333	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M-3H"	-3.021828
"508196"	673.230924	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M-3H"	-3.021828
"885997"	223.738790666667	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-3H"	-3.021828
"7853"	673.230924	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M-2H"	-2.014552
"447412"	1010.350024	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M-2H"	-2.014552
"821932"	336.111824	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-2H"	-2.014552
"78839"	1347.469124	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M-H"	-1.007276
"518927"	2021.707324	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M-H"	-1.007276
"895713"	673.230924	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-H"	-1.007276
"53668"	1364.495671	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M-2H+NH4"	16.019271
"488244"	2038.733871	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M-2H+NH4"	16.019271
"870304"	690.257471	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-2H+NH4"	16.019271
"36746"	1369.451066	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M-2H+Na"	20.974666
"475211"	2043.689266	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M-2H+Na"	20.974666
"858481"	695.212866	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-2H+Na"	20.974666
"1622547"	695.212866	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Na-2H"	20.974666
"94700"	691.219263	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M-H+Cl"	33.962126
"534496"	1028.338363	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M-H+Cl"	33.962126
"927773"	354.100163	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-H+Cl"	33.962126
"267584"	1383.445802	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+Cl"	34.969402
"662397"	2057.684002	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+Cl"	34.969402
"1274801"	709.207602	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Cl"	34.969402
"19546"	1385.425006	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M-2H+K"	36.948606
"467502"	2059.663206	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M-2H+K"	36.948606
"844211"	711.186806	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-2H+K"	36.948606
"1566603"	711.186806	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+K-2H"	36.948606
"952300"	719.236394	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-H+HCOOH"	44.998194
"370514"	1393.474601	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+HCOOH-H"	44.998201
"354396"	1407.490251	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+Hac-H"	59.013851
"1502138"	733.252051	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Hac-H"	59.013851
"966402"	741.218351	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-H+NaCOOH"	66.980151
"116404"	709.207602	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+2Cl"	69.938804
"559245"	1046.326702	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+2Cl"	69.938804
"1024763"	372.088502	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2Cl"	69.938804
"1243248"	753.157085	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Br"	78.918885
"1305697"	755.213072	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Cl+HCOOH"	80.974872
"1325382"	777.195029	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Cl+NaCOOH"	102.956829
"920815"	787.223786	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M-H+CF3COOH"	112.985586
"1295336"	823.200464	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Cl+CF3COOH"	148.962264
"1368029"	639.225524	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H-2H2O"	-35.012676
"1390993"	657.2355	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H-H2O"	-17.0027
"291774"	1349.483676	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+H"	1.007276
"687477"	2023.721876	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+H"	1.007276
"1365528"	675.245476	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H"	1.007276
"139994"	675.245476	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+2H"	2.014552
"580979"	1012.364576	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+2H"	2.014552
"1051274"	338.126376	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2H"	2.014552
"219174"	450.499409333333	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+3H"	3.021828
"657641"	675.245476	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+3H"	3.021828
"1177112"	225.753342666667	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+3H"	3.021828
"439944"	1366.510223	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+NH4"	18.033823
"798585"	2040.748423	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+NH4"	18.033823
"1694552"	692.272023	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+NH4"	18.033823
"344660"	683.7587495	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+H+NH4"	19.041099
"736349"	1020.8778495	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+H+NH4"	19.041099
"1489440"	346.6396495	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H+NH4"	19.041099
"406296"	1371.465618	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+Na"	22.989218
"766562"	2045.703818	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+Na"	22.989218
"1610284"	697.227418	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Na"	22.989218
"324694"	686.236447	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+H+Na"	23.996494
"716021"	1023.355547	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+H+Na"	23.996494
"1464375"	349.117347	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H+Na"	23.996494
"1054463"	233.080656666667	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2H+Na"	25.00377
"1260399"	707.271686	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+CH3OH+H"	33.033486
"377227"	1387.439558	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+K"	38.963158
"739239"	2061.677758	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+K"	38.963158
"1540562"	713.201358	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+K"	38.963158
"304665"	694.223417	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+H+K"	39.970434
"697087"	1031.342517	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+H+K"	39.970434
"1453098"	357.104317	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H+K"	39.970434
"241699"	1390.510226	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+ACN+H"	42.033826
"1219878"	716.272026	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+ACN+H"	42.033826
"1202668"	358.639651	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+ACN+2H"	43.041102
"193349"	1393.44756	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+2Na-H"	44.97116
"632176"	2067.68576	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+2Na-H"	44.97116
"1136417"	719.20936	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2Na-H"	44.97116
"184814"	697.227418	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+2Na"	45.978436
"619275"	1034.346518	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+2Na"	45.978436
"1120593"	360.108318	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2Na"	45.978436
"1404120"	240.407970666667	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H+2Na"	46.985712
"1440244"	721.250946	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H+HCOOH"	47.012746
"225929"	702.26044	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+3H2O+2H"	56.04448
"1518366"	735.30299	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+IsoProp+H"	61.06479
"416959"	705.214388	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+Na+K"	61.952376
"780870"	1042.333488	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+Na+K"	61.952376
"1669911"	368.095288	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Na+K"	61.952376
"254606"	1412.492168	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+ACN+Na"	64.015768
"1226947"	738.253968	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+ACN+Na"	64.015768
"1713282"	738.277493	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+NH4+HCOOH"	64.039293
"1180096"	247.735284666667	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+3Na"	68.967654
"1654364"	743.232888	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Na+HCOOH"	68.994688
"158672"	1425.39544	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+2K-H"	76.91904
"599326"	2099.63364	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+2K-H"	76.91904
"1086754"	751.15724	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2K-H"	76.91904
"144307"	713.201358	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"2M+2K"	77.926316
"581634"	1050.320458	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"3M+2K"	77.926316
"1068688"	376.082258	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2K"	77.926316
"1100436"	753.171792	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2K+H"	78.933592
"1336151"	753.259407	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+DMSO+H"	79.021207
"1007599"	757.298576	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2ACN+H"	83.060376
"1524502"	758.292208	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+IsoProp+Na+H"	84.054008
"990712"	379.152926	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+2ACN+2H"	84.067652
"1588861"	759.206828	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+K+HCOOH"	84.968628
"1415612"	789.238338	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+H+CF3COOH"	115.000138
"1153561"	399.666201	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+3ACN+2H"	125.094202
"1709676"	806.264885	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+NH4+CF3COOH"	132.026685
"1645326"	811.22028	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+Na+CF3COOH"	136.98208
"1576603"	827.19422	"C04886"	"alpha-N-Acetylneuraminyl-26-beta-D-galactosyl-14-N-acetyl-beta-D-glucosamine"	"C25H42N2O19"	"674.2382"	"M+K+CF3COOH"	152.95602
"808063"	1220.3887	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M"	0
"983785"	1201.37031	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-H2O-H"	-19.01839
"72028"	812.585190666667	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M-3H"	-3.021828
"508307"	1219.381424	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M-3H"	-3.021828
"885011"	405.788957333333	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-3H"	-3.021828
"3588"	1219.381424	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M-2H"	-2.014552
"441688"	1829.575774	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M-2H"	-2.014552
"819859"	609.187074	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-2H"	-2.014552
"82403"	2439.770124	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M-H"	-1.007276
"525978"	3660.158824	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M-H"	-1.007276
"900861"	1219.381424	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-H"	-1.007276
"54877"	2456.796671	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M-2H+NH4"	16.019271
"499905"	3677.185371	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M-2H+NH4"	16.019271
"877706"	1236.407971	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-2H+NH4"	16.019271
"40137"	2461.752066	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M-2H+Na"	20.974666
"481884"	3682.140766	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M-2H+Na"	20.974666
"855311"	1241.363366	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-2H+Na"	20.974666
"1624845"	1241.363366	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Na-2H"	20.974666
"103561"	1237.369763	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M-H+Cl"	33.962126
"539840"	1847.564113	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M-H+Cl"	33.962126
"933355"	627.175413	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-H+Cl"	33.962126
"271912"	2475.746802	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+Cl"	34.969402
"662143"	3696.135502	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+Cl"	34.969402
"1277831"	1255.358102	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Cl"	34.969402
"29515"	2477.726006	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M-2H+K"	36.948606
"469434"	3698.114706	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M-2H+K"	36.948606
"846143"	1257.337306	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-2H+K"	36.948606
"1568899"	1257.337306	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+K-2H"	36.948606
"954597"	1265.386894	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-H+HCOOH"	44.998194
"376428"	2485.775601	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+HCOOH-H"	44.998201
"360960"	2499.791251	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+Hac-H"	59.013851
"1505899"	1279.402551	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Hac-H"	59.013851
"972346"	1287.368851	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-H+NaCOOH"	66.980151
"118701"	1255.358102	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+2Cl"	69.938804
"558263"	1865.552452	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+2Cl"	69.938804
"1028155"	645.163752	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2Cl"	69.938804
"1248829"	1299.307585	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Br"	78.918885
"1312372"	1301.363572	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Cl+HCOOH"	80.974872
"1325493"	1323.345529	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Cl+NaCOOH"	102.956829
"917644"	1333.374286	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M-H+CF3COOH"	112.985586
"1295446"	1369.350964	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Cl+CF3COOH"	148.962264
"1380173"	1185.376024	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H-2H2O"	-35.012676
"1397673"	1203.386	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H-H2O"	-17.0027
"297963"	2441.784676	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+H"	1.007276
"690751"	3662.173376	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+H"	1.007276
"1366253"	1221.395976	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H"	1.007276
"135733"	1221.395976	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+2H"	2.014552
"579678"	1831.590326	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+2H"	2.014552
"1050906"	611.201626	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2H"	2.014552
"218201"	814.599742666667	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+3H"	3.021828
"659102"	1221.395976	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+3H"	3.021828
"1174061"	407.803509333333	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+3H"	3.021828
"438918"	2458.811223	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+NH4"	18.033823
"798696"	3679.199923	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+NH4"	18.033823
"1695637"	1238.422523	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+NH4"	18.033823
"344400"	1229.9092495	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+H+NH4"	19.041099
"735361"	1840.1035995	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+H+NH4"	19.041099
"1489911"	619.7148995	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H+NH4"	19.041099
"404946"	2463.766618	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+Na"	22.989218
"767764"	3684.155318	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+Na"	22.989218
"1613675"	1243.377918	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Na"	22.989218
"322620"	1232.386947	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+H+Na"	23.996494
"711767"	1842.581297	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+H+Na"	23.996494
"1467776"	622.192597	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H+Na"	23.996494
"1058834"	415.130823333333	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2H+Na"	25.00377
"1264884"	1253.422186	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+CH3OH+H"	33.033486
"384554"	2479.740558	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+K"	38.963158
"747739"	3700.129258	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+K"	38.963158
"1550884"	1259.351858	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+K"	38.963158
"308058"	1240.373917	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+H+K"	39.970434
"696115"	1850.568267	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+H+K"	39.970434
"1448840"	630.179567	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H+K"	39.970434
"243999"	2482.811226	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+ACN+H"	42.033826
"1219988"	1262.422526	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+ACN+H"	42.033826
"1200590"	631.714901	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+ACN+2H"	43.041102
"201124"	2485.74856	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+2Na-H"	44.97116
"641779"	3706.13726	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+2Na-H"	44.97116
"1143462"	1265.35986	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2Na-H"	44.97116
"183106"	1243.377918	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+2Na"	45.978436
"623033"	1853.572268	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+2Na"	45.978436
"1126173"	633.183568	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2Na"	45.978436
"1407511"	422.458137333333	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H+2Na"	46.985712
"1441815"	1267.401446	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H+HCOOH"	47.012746
"226042"	1248.41094	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+3H2O+2H"	56.04448
"1515198"	1281.45349	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+IsoProp+H"	61.06479
"414883"	1251.364888	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+Na+K"	61.952376
"776975"	1861.559238	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+Na+K"	61.952376
"1673303"	641.170538	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Na+K"	61.952376
"260916"	2504.793168	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+ACN+Na"	64.015768
"1230704"	1284.404468	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+ACN+Na"	64.015768
"1717768"	1284.427993	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+NH4+HCOOH"	64.039293
"1184582"	429.785451333333	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+3Na"	68.967654
"1654839"	1289.383388	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Na+HCOOH"	68.994688
"163527"	2517.69644	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+2K-H"	76.91904
"597494"	3738.08514	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+2K-H"	76.91904
"1093071"	1297.30774	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2K-H"	76.91904
"144783"	1259.351858	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"2M+2K"	77.926316
"583248"	1869.546208	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"3M+2K"	77.926316
"1072865"	649.157508	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2K"	77.926316
"1113124"	1299.322292	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2K+H"	78.933592
"1343554"	1299.409907	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+DMSO+H"	79.021207
"1014270"	1303.449076	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2ACN+H"	83.060376
"1538599"	1304.442708	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+IsoProp+Na+H"	84.054008
"1005170"	652.228176	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+2ACN+2H"	84.067652
"1601981"	1305.357328	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+K+HCOOH"	84.968628
"1428495"	1335.388838	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+H+CF3COOH"	115.000138
"1161454"	672.741451	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+3ACN+2H"	125.094202
"1712097"	1352.415385	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+NH4+CF3COOH"	132.026685
"1645437"	1357.37078	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+Na+CF3COOH"	136.98208
"1576716"	1373.34472	"C04894"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine"	"C43H70N10O27P2"	"1220.3887"	"M+K+CF3COOH"	152.95602
"803800"	494.9957	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M"	0
"980615"	475.97731	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-H2O-H"	-19.01839
"66671"	328.989857333333	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M-3H"	-3.021828
"503312"	493.988424	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M-3H"	-3.021828
"880747"	163.991290666667	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-3H"	-3.021828
"171"	493.988424	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M-2H"	-2.014552
"440460"	741.486274	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M-2H"	-2.014552
"820333"	246.490574	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-2H"	-2.014552
"82149"	988.984124	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M-H"	-1.007276
"524995"	1483.979824	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M-H"	-1.007276
"899878"	493.988424	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-H"	-1.007276
"54987"	1006.010671	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M-2H+NH4"	16.019271
"500015"	1501.006371	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M-2H+NH4"	16.019271
"877816"	511.014971	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-2H+NH4"	16.019271
"39154"	1010.966066	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M-2H+Na"	20.974666
"479808"	1505.961766	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M-2H+Na"	20.974666
"856514"	515.970366	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-2H+Na"	20.974666
"1626048"	515.970366	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Na-2H"	20.974666
"102578"	511.976763	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M-H+Cl"	33.962126
"541044"	759.474613	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M-H+Cl"	33.962126
"932372"	264.478913	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-H+Cl"	33.962126
"272023"	1024.960802	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+Cl"	34.969402
"662620"	1519.956502	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+Cl"	34.969402
"1276848"	529.965102	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Cl"	34.969402
"28159"	1026.940006	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M-2H+K"	36.948606
"469180"	1521.935706	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M-2H+K"	36.948606
"846251"	531.944306	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-2H+K"	36.948606
"1565728"	531.944306	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+K-2H"	36.948606
"953614"	539.993894	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-H+HCOOH"	44.998194
"376089"	1034.989601	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+HCOOH-H"	44.998201
"360459"	1049.005251	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+Hac-H"	59.013851
"1506009"	554.009551	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Hac-H"	59.013851
"973919"	561.975851	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-H+NaCOOH"	66.980151
"125330"	529.965102	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+2Cl"	69.938804
"562744"	777.462952	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+2Cl"	69.938804
"1037010"	282.467252	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2Cl"	69.938804
"1246749"	573.914585	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Br"	78.918885
"1312482"	575.970572	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Cl+HCOOH"	80.974872
"1325603"	597.952529	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Cl+NaCOOH"	102.956829
"914473"	607.981286	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M-H+CF3COOH"	112.985586
"1297743"	643.957964	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Cl+CF3COOH"	148.962264
"1381375"	459.983024	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H-2H2O"	-35.012676
"1397056"	477.993	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H-H2O"	-17.0027
"295277"	990.998676	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+H"	1.007276
"688792"	1485.994376	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+H"	1.007276
"1366236"	496.002976	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H"	1.007276
"135843"	496.002976	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+2H"	2.014552
"580508"	743.500826	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+2H"	2.014552
"1051737"	248.505126	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2H"	2.014552
"218674"	331.004409333333	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+3H"	3.021828
"659334"	496.002976	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+3H"	3.021828
"1175997"	166.005842666667	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+3H"	3.021828
"439395"	1008.025223	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+NH4"	18.033823
"801120"	1503.020923	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+NH4"	18.033823
"1694414"	513.029523	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+NH4"	18.033823
"344876"	504.5162495	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+H+NH4"	19.041099
"735471"	752.0140995	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+H+NH4"	19.041099
"1491114"	257.0183995	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H+NH4"	19.041099
"407244"	1012.980618	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+Na"	22.989218
"767873"	1507.976318	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+Na"	22.989218
"1615608"	517.984918	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Na"	22.989218
"324917"	506.993947	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+H+Na"	23.996494
"711874"	754.491797	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+H+Na"	23.996494
"1471165"	259.496097	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H+Na"	23.996494
"1063681"	173.333156666667	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2H+Na"	25.00377
"1264994"	528.029186	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+CH3OH+H"	33.033486
"385757"	1028.954558	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+K"	38.963158
"748942"	1523.950258	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+K"	38.963158
"1550994"	533.958858	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+K"	38.963158
"309261"	514.980917	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+H+K"	39.970434
"696225"	762.478767	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+H+K"	39.970434
"1449314"	267.483067	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H+K"	39.970434
"245933"	1032.025226	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+ACN+H"	42.033826
"1221191"	537.029526	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+ACN+H"	42.033826
"1199606"	269.018401	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+ACN+2H"	43.041102
"201234"	1034.96256	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+2Na-H"	44.97116
"641525"	1529.95826	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+2Na-H"	44.97116
"1141018"	539.96686	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2Na-H"	44.97116
"183216"	517.984918	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+2Na"	45.978436
"624964"	765.482768	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+2Na"	45.978436
"1125191"	270.487068	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2Na"	45.978436
"1408715"	180.660470666667	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H+2Na"	46.985712
"1439741"	542.008446	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H+HCOOH"	47.012746
"230526"	523.01794	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+3H2O+2H"	56.04448
"1517496"	556.06049	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+IsoProp+H"	61.06479
"418273"	525.971888	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+Na+K"	61.952376
"779272"	773.469738	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+Na+K"	61.952376
"1674506"	278.474038	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Na+K"	61.952376
"261025"	1054.007168	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+ACN+Na"	64.015768
"1228630"	559.011468	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+ACN+Na"	64.015768
"1719340"	559.034993	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+NH4+HCOOH"	64.039293
"1182507"	187.987784666667	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+3Na"	68.967654
"1653491"	563.990388	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Na+HCOOH"	68.994688
"160357"	1066.91044	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+2K-H"	76.91904
"597402"	1561.90614	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+2K-H"	76.91904
"1093181"	571.91474	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2K-H"	76.91904
"144529"	533.958858	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"2M+2K"	77.926316
"582994"	781.456708	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"3M+2K"	77.926316
"1072975"	286.461008	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2K"	77.926316
"1110560"	573.929292	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2K+H"	78.933592
"1343664"	574.016907	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+DMSO+H"	79.021207
"1008913"	578.056076	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2ACN+H"	83.060376
"1527038"	579.049708	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+IsoProp+Na+H"	84.054008
"1005037"	289.531676	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+2ACN+2H"	84.067652
"1598929"	579.964328	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+K+HCOOH"	84.968628
"1428606"	609.995838	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+H+CF3COOH"	115.000138
"1161076"	310.044951	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+3ACN+2H"	125.094202
"1711235"	627.022385	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+NH4+CF3COOH"	132.026685
"1645547"	631.97778	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+Na+CF3COOH"	136.98208
"1576826"	647.95172	"C04895"	"78-Dihydroneopterin 3-triphosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine triphosphate;6-(L-erythro-12-Dihydroxypropyl 3-triphosphate)-78-dihydropterin;6-(1S2R)-12-Dihydroxy-3-triphosphooxypropyl-78-dihydropterin"	"C9H16N5O13P3"	"494.9957"	"M+K+CF3COOH"	152.95602
"813387"	577.0822	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M"	0
"981820"	558.06381	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H2O-H"	-19.01839
"68968"	383.714190666667	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-3H"	-3.021828
"503423"	576.074924	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-3H"	-3.021828
"883047"	191.353457333333	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-3H"	-3.021828
"1012"	576.074924	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H"	-2.014552
"440570"	864.616024	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H"	-2.014552
"819714"	287.533824	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H"	-2.014552
"80071"	1153.157124	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-H"	-1.007276
"521822"	1730.239324	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-H"	-1.007276
"903999"	576.074924	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H"	-1.007276
"55096"	1170.183671	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H+NH4"	16.019271
"497938"	1747.265871	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H+NH4"	16.019271
"875738"	593.101471	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H+NH4"	16.019271
"40357"	1175.139066	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H+Na"	20.974666
"479915"	1752.221266	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H+Na"	20.974666
"859904"	598.056866	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H+Na"	20.974666
"1626158"	598.056866	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na-2H"	20.974666
"103781"	594.063263	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-H+Cl"	33.962126
"541154"	882.604363	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-H+Cl"	33.962126
"936856"	305.522163	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+Cl"	33.962126
"276507"	1189.133802	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Cl"	34.969402
"662366"	1766.216002	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+Cl"	34.969402
"1276956"	612.051602	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl"	34.969402
"30455"	1191.113006	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H+K"	36.948606
"471236"	1768.195206	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H+K"	36.948606
"845997"	614.030806	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H+K"	36.948606
"1565837"	614.030806	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K-2H"	36.948606
"958413"	622.080394	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+HCOOH"	44.998194
"377032"	1199.162601	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+HCOOH-H"	44.998201
"361355"	1213.178251	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Hac-H"	59.013851
"1507214"	636.096051	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Hac-H"	59.013851
"973707"	644.062351	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+NaCOOH"	66.980151
"125000"	612.051602	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2Cl"	69.938804
"565045"	900.592702	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2Cl"	69.938804
"1036519"	323.510502	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2Cl"	69.938804
"1249046"	656.001085	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Br"	78.918885
"1318059"	658.057072	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl+HCOOH"	80.974872
"1333368"	680.039029	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl+NaCOOH"	102.956829
"921144"	690.067786	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+CF3COOH"	112.985586
"1301864"	726.044464	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl+CF3COOH"	148.962264
"1382302"	542.069524	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H-2H2O"	-35.012676
"1398456"	560.0795	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H-H2O"	-17.0027
"298533"	1155.171676	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H"	1.007276
"691057"	1732.253876	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H"	1.007276
"1366596"	578.089476	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H"	1.007276
"140696"	578.089476	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2H"	2.014552
"579895"	866.630576	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2H"	2.014552
"1051971"	289.548376	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2H"	2.014552
"214402"	385.728742666667	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+3H"	3.021828
"659689"	578.089476	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+3H"	3.021828
"1176107"	193.368009333333	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+3H"	3.021828
"438896"	1172.198223	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+NH4"	18.033823
"800743"	1749.280423	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+NH4"	18.033823
"1696225"	595.116023	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+NH4"	18.033823
"345350"	586.6027495	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H+NH4"	19.041099
"737407"	875.1438495	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H+NH4"	19.041099
"1491957"	298.0616495	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+NH4"	19.041099
"408456"	1177.153618	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Na"	22.989218
"769444"	1754.235818	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+Na"	22.989218
"1616450"	600.071418	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na"	22.989218
"327213"	589.080447	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H+Na"	23.996494
"710891"	877.621547	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H+Na"	23.996494
"1469089"	300.539347	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+Na"	23.996494
"1061244"	200.695323333333	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2H+Na"	25.00377
"1265471"	610.115686	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+CH3OH+H"	33.033486
"387689"	1193.127558	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+K"	38.963158
"747957"	1770.209758	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+K"	38.963158
"1552928"	616.045358	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K"	38.963158
"309372"	597.067417	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H+K"	39.970434
"701801"	885.608517	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H+K"	39.970434
"1456715"	308.526317	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+K"	39.970434
"243128"	1196.198226	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+ACN+H"	42.033826
"1221305"	619.116026	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+ACN+H"	42.033826
"1206279"	310.061651	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+ACN+2H"	43.041102
"201344"	1199.13556	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2Na-H"	44.97116
"643215"	1776.21776	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2Na-H"	44.97116
"1142221"	622.05336	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2Na-H"	44.97116
"185512"	600.071418	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2Na"	45.978436
"626166"	888.612518	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2Na"	45.978436
"1124207"	311.530318	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2Na"	45.978436
"1406636"	208.022637333333	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+2Na"	46.985712
"1442765"	624.094946	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+HCOOH"	47.012746
"229543"	605.10444	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+3H2O+2H"	56.04448
"1519791"	638.14699	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+IsoProp+H"	61.06479
"417289"	608.058388	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Na+K"	61.952376
"778287"	896.599488	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+Na+K"	61.952376
"1674618"	319.517288	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na+K"	61.952376
"262228"	1218.180168	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+ACN+Na"	64.015768
"1230563"	641.097968	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+ACN+Na"	64.015768
"1719449"	641.121493	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+NH4+HCOOH"	64.039293
"1185896"	215.349951333333	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+3Na"	68.967654
"1652509"	646.076888	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na+HCOOH"	68.994688
"159373"	1231.08344	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2K-H"	76.91904
"597473"	1808.16564	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2K-H"	76.91904
"1093291"	654.00124	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2K-H"	76.91904
"145732"	616.045358	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2K"	77.926316
"582252"	904.586458	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2K"	77.926316
"1073085"	327.504258	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2K"	77.926316
"1109577"	656.015792	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2K+H"	78.933592
"1343774"	656.103407	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+DMSO+H"	79.021207
"1007930"	660.142576	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2ACN+H"	83.060376
"1527148"	661.136208	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+IsoProp+Na+H"	84.054008
"1005391"	330.574926	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2ACN+2H"	84.067652
"1601956"	662.050828	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K+HCOOH"	84.968628
"1429443"	692.082338	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+CF3COOH"	115.000138
"1161797"	351.088201	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+3ACN+2H"	125.094202
"1711101"	709.108885	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+NH4+CF3COOH"	132.026685
"1645657"	714.06428	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na+CF3COOH"	136.98208
"1576936"	730.03822	"C04896"	"5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-(5-Phospho-D-ribosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;N-(5-Phosphoribosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;Phosphoribosyl-formimino-AICAR-phosphate;1-(5-Phosphoribosyl)-5-(5-phosphoribosylamino)methylideneaminoimidazole-4-carboxamide;1-(5-Phospho-beta-D-ribosyl)-5-(5-phospho-beta-D-ribosylamino)methylideneaminoimidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K+CF3COOH"	152.95602
"813863"	763.1017	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M"	0
"984116"	744.08331	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-H2O-H"	-19.01839
"70171"	507.727190666667	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M-3H"	-3.021828
"505357"	762.094424	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M-3H"	-3.021828
"881088"	253.359957333333	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-3H"	-3.021828
"1122"	762.094424	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M-2H"	-2.014552
"441047"	1143.645274	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M-2H"	-2.014552
"821290"	380.543574	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-2H"	-2.014552
"91125"	1525.196124	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M-H"	-1.007276
"529591"	2288.297824	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M-H"	-1.007276
"910801"	762.094424	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-H"	-1.007276
"57394"	1542.222671	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M-2H+NH4"	16.019271
"493672"	2305.324371	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M-2H+NH4"	16.019271
"870379"	779.120971	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-2H+NH4"	16.019271
"37186"	1547.178066	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M-2H+Na"	20.974666
"481121"	2310.279766	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M-2H+Na"	20.974666
"858925"	784.076366	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-2H+Na"	20.974666
"1633562"	784.076366	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Na-2H"	20.974666
"106079"	780.082763	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M-H+Cl"	33.962126
"543453"	1161.633613	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M-H+Cl"	33.962126
"934780"	398.531913	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-H+Cl"	33.962126
"270056"	1561.172802	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+Cl"	34.969402
"661749"	2324.274502	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+Cl"	34.969402
"1288431"	798.071102	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Cl"	34.969402
"31291"	1563.152006	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M-2H+K"	36.948606
"471106"	2326.253706	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M-2H+K"	36.948606
"848138"	800.050306	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-2H+K"	36.948606
"1571284"	800.050306	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+K-2H"	36.948606
"958306"	808.099894	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-H+HCOOH"	44.998194
"377069"	1571.201601	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+HCOOH-H"	44.998201
"358979"	1585.217251	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+Hac-H"	59.013851
"1506961"	822.115551	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Hac-H"	59.013851
"974125"	830.081851	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-H+NaCOOH"	66.980151
"123406"	798.071102	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+2Cl"	69.938804
"560779"	1179.621952	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+2Cl"	69.938804
"1032860"	416.520252	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2Cl"	69.938804
"1248065"	842.020585	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Br"	78.918885
"1319262"	844.076572	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Cl+HCOOH"	80.974872
"1333478"	866.058529	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Cl+NaCOOH"	102.956829
"921254"	876.087286	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M-H+CF3COOH"	112.985586
"1303074"	912.063964	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Cl+CF3COOH"	148.962264
"1381603"	728.089024	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H-2H2O"	-35.012676
"1397642"	746.099	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H-H2O"	-17.0027
"297571"	1527.210676	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+H"	1.007276
"688647"	2290.312376	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+H"	1.007276
"1365006"	764.108976	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H"	1.007276
"139717"	764.108976	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+2H"	2.014552
"579998"	1145.659826	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+2H"	2.014552
"1047704"	382.558126	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2H"	2.014552
"219264"	509.741742666667	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+3H"	3.021828
"659433"	764.108976	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+3H"	3.021828
"1177926"	255.374509333333	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+3H"	3.021828
"439126"	1544.237223	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+NH4"	18.033823
"800486"	2307.338923	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+NH4"	18.033823
"1696661"	781.135523	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+NH4"	18.033823
"344366"	772.6222495	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+H+NH4"	19.041099
"736425"	1154.1730995	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+H+NH4"	19.041099
"1489515"	391.0713995	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H+NH4"	19.041099
"401631"	1549.192618	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+Na"	22.989218
"767001"	2312.294318	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+Na"	22.989218
"1610728"	786.090918	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Na"	22.989218
"324051"	775.099947	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+H+Na"	23.996494
"722726"	1156.650797	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+H+Na"	23.996494
"1474670"	393.549097	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H+Na"	23.996494
"1064634"	262.701823333333	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2H+Na"	25.00377
"1266309"	796.135186	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+CH3OH+H"	33.033486
"385980"	1565.166558	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+K"	38.963158
"746974"	2328.268258	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+K"	38.963158
"1549028"	802.064858	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+K"	38.963158
"305115"	783.086917	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+H+K"	39.970434
"704828"	1164.637767	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+H+K"	39.970434
"1460107"	401.536067	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H+K"	39.970434
"248708"	1568.237226	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+ACN+H"	42.033826
"1224695"	805.135526	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+ACN+H"	42.033826
"1208467"	403.071401	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+ACN+2H"	43.041102
"202185"	1571.17456	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+2Na-H"	44.97116
"642111"	2334.27626	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+2Na-H"	44.97116
"1143426"	808.07286	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2Na-H"	44.97116
"186719"	786.090918	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+2Na"	45.978436
"625187"	1167.641768	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+2Na"	45.978436
"1125411"	404.540068	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2Na"	45.978436
"1410028"	270.029137333333	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H+2Na"	46.985712
"1441053"	810.114446	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H+HCOOH"	47.012746
"231841"	791.12394	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+3H2O+2H"	56.04448
"1518809"	824.16649	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+IsoProp+H"	61.06479
"422870"	794.077888	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+Na+K"	61.952376
"778398"	1175.628738	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+Na+K"	61.952376
"1673635"	412.527038	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Na+K"	61.952376
"262338"	1590.219168	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+ACN+Na"	64.015768
"1231768"	827.117468	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+ACN+Na"	64.015768
"1717371"	827.140993	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+NH4+HCOOH"	64.039293
"1182726"	277.356451333333	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+3Na"	68.967654
"1661372"	832.096388	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Na+HCOOH"	68.994688
"164954"	1603.12244	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+2K-H"	76.91904
"609982"	2366.22414	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+2K-H"	76.91904
"1094495"	840.02074	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2K-H"	76.91904
"148030"	802.064858	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"2M+2K"	77.926316
"596097"	1183.615708	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"3M+2K"	77.926316
"1083649"	420.514008	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2K"	77.926316
"1114919"	842.035292	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2K+H"	78.933592
"1350570"	842.122907	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+DMSO+H"	79.021207
"1017882"	846.162076	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2ACN+H"	83.060376
"1539503"	847.155708	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+IsoProp+Na+H"	84.054008
"1005258"	423.584676	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+2ACN+2H"	84.067652
"1599151"	848.070328	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+K+HCOOH"	84.968628
"1429066"	878.101838	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+H+CF3COOH"	115.000138
"1161659"	444.097951	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+3ACN+2H"	125.094202
"1707929"	895.128385	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+NH4+CF3COOH"	132.026685
"1642488"	900.08378	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+Na+CF3COOH"	136.98208
"1586888"	916.05772	"C04899"	"(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(S)-NADPH-hydrate;(S)-NADPHX;(6S)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide 2-phosphate"	"C21H32N7O18P3"	"763.1017"	"M+K+CF3COOH"	152.95602
"807412"	814.144	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M"	0
"974585"	795.12561	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-H2O-H"	-19.01839
"63109"	541.755390666667	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M-3H"	-3.021828
"504372"	813.136724	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M-3H"	-3.021828
"881564"	270.374057333333	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-3H"	-3.021828
"179"	813.136724	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M-2H"	-2.014552
"440793"	1220.208724	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M-2H"	-2.014552
"817140"	406.064724	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-2H"	-2.014552
"78669"	1627.280724	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M-H"	-1.007276
"524233"	2441.424724	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M-H"	-1.007276
"902036"	813.136724	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-H"	-1.007276
"52036"	1644.307271	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M-2H+NH4"	16.019271
"492323"	2458.451271	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M-2H+NH4"	16.019271
"867573"	830.163271	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-2H+NH4"	16.019271
"32193"	1649.262666	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M-2H+Na"	20.974666
"472119"	2463.406666	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M-2H+Na"	20.974666
"855755"	835.118666	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-2H+Na"	20.974666
"1629661"	835.118666	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Na-2H"	20.974666
"102909"	831.125063	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M-H+Cl"	33.962126
"538460"	1238.197063	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M-H+Cl"	33.962126
"931974"	424.053063	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-H+Cl"	33.962126
"270166"	1663.257402	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+Cl"	34.969402
"661130"	2477.401402	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+Cl"	34.969402
"1283743"	849.113402	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Cl"	34.969402
"24112"	1665.236606	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M-2H+K"	36.948606
"459298"	2479.380606	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M-2H+K"	36.948606
"848369"	851.092606	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-2H+K"	36.948606
"1570078"	851.092606	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+K-2H"	36.948606
"958488"	859.142194	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-H+HCOOH"	44.998194
"377112"	1673.286201	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+HCOOH-H"	44.998201
"359696"	1687.301851	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+Hac-H"	59.013851
"1505976"	873.157851	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Hac-H"	59.013851
"973640"	881.124151	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-H+NaCOOH"	66.980151
"122424"	849.113402	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+2Cl"	69.938804
"561983"	1256.185402	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+2Cl"	69.938804
"1028594"	442.041402	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2Cl"	69.938804
"1248175"	893.062885	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Br"	78.918885
"1312811"	895.118872	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Cl+HCOOH"	80.974872
"1333588"	917.100829	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Cl+NaCOOH"	102.956829
"920271"	927.129586	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M-H+CF3COOH"	112.985586
"1302821"	963.106264	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Cl+CF3COOH"	148.962264
"1382727"	779.131324	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H-2H2O"	-35.012676
"1398311"	797.1413	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H-H2O"	-17.0027
"298411"	1629.295276	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+H"	1.007276
"688757"	2443.439276	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+H"	1.007276
"1365845"	815.151276	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H"	1.007276
"139461"	815.151276	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+2H"	2.014552
"580108"	1222.223276	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+2H"	2.014552
"1046722"	408.079276	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2H"	2.014552
"217914"	543.769942666667	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+3H"	3.021828
"658933"	815.151276	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+3H"	3.021828
"1176692"	272.388609333333	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+3H"	3.021828
"437776"	1646.321823	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+NH4"	18.033823
"799137"	2460.465823	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+NH4"	18.033823
"1696199"	832.177823	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+NH4"	18.033823
"342655"	823.6645495	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+H+NH4"	19.041099
"733619"	1230.7365495	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+H+NH4"	19.041099
"1487438"	416.5925495	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H+NH4"	19.041099
"397367"	1651.277218	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+Na"	22.989218
"761644"	2465.421218	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+Na"	22.989218
"1609745"	837.133218	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Na"	22.989218
"321974"	826.142247	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+H+Na"	23.996494
"722706"	1233.214247	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+H+Na"	23.996494
"1475509"	419.070247	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H+Na"	23.996494
"1064744"	279.715923333333	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2H+Na"	25.00377
"1265326"	847.177486	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+CH3OH+H"	33.033486
"387182"	1667.251158	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+K"	38.963158
"748177"	2481.395158	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+K"	38.963158
"1546951"	853.107158	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+K"	38.963158
"306318"	834.129217	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+H+K"	39.970434
"703116"	1241.201217	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+H+K"	39.970434
"1458760"	427.057217	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H+K"	39.970434
"247723"	1670.321826	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+ACN+H"	42.033826
"1223712"	856.177826	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+ACN+H"	42.033826
"1208942"	428.592551	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+ACN+2H"	43.041102
"202660"	1673.25916	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+2Na-H"	44.97116
"641855"	2487.40316	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+2Na-H"	44.97116
"1143536"	859.11516	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2Na-H"	44.97116
"186102"	837.133218	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+2Na"	45.978436
"628056"	1244.205218	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+2Na"	45.978436
"1127707"	430.061218	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2Na"	45.978436
"1410138"	287.043237333333	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H+2Na"	46.985712
"1444448"	861.156746	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H+HCOOH"	47.012746
"234746"	842.16624	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+3H2O+2H"	56.04448
"1522199"	875.20879	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+IsoProp+H"	61.06479
"423832"	845.120188	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+Na+K"	61.952376
"778508"	1252.192188	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+Na+K"	61.952376
"1673745"	438.048188	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Na+K"	61.952376
"262448"	1692.303768	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+ACN+Na"	64.015768
"1232971"	878.159768	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+ACN+Na"	64.015768
"1718575"	878.183293	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+NH4+HCOOH"	64.039293
"1182836"	294.370551333333	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+3Na"	68.967654
"1660389"	883.138688	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Na+HCOOH"	68.994688
"165064"	1705.20704	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+2K-H"	76.91904
"612279"	2519.35104	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+2K-H"	76.91904
"1094605"	891.06304	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2K-H"	76.91904
"148140"	853.107158	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"2M+2K"	77.926316
"595965"	1260.179158	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"3M+2K"	77.926316
"1083760"	446.035158	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2K"	77.926316
"1114783"	893.077592	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2K+H"	78.933592
"1350314"	893.165207	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+DMSO+H"	79.021207
"1018721"	897.204376	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2ACN+H"	83.060376
"1539541"	898.198008	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+IsoProp+Na+H"	84.054008
"1005368"	449.105826	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+2ACN+2H"	84.067652
"1602178"	899.112628	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+K+HCOOH"	84.968628
"1429746"	929.144138	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+H+CF3COOH"	115.000138
"1160675"	469.619101	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+3ACN+2H"	125.094202
"1708039"	946.170685	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+NH4+CF3COOH"	132.026685
"1642598"	951.12608	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+Na+CF3COOH"	136.98208
"1586998"	967.10002	"C04900"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide-4-O-beta-D-glucuronide"	"C33H34O24"	"814.144"	"M+K+CF3COOH"	152.95602
"809713"	939.3921	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M"	0
"976683"	920.37371	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-H2O-H"	-19.01839
"64194"	625.254124	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M-3H"	-3.021828
"504479"	938.384824	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M-3H"	-3.021828
"881191"	312.123424	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-3H"	-3.021828
"245"	938.384824	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M-2H"	-2.014552
"453558"	1408.080874	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M-2H"	-2.014552
"831726"	468.688774	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-2H"	-2.014552
"93174"	1877.776924	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M-H"	-1.007276
"532729"	2817.169024	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M-H"	-1.007276
"903240"	938.384824	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-H"	-1.007276
"54334"	1894.803471	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M-2H+NH4"	16.019271
"496080"	2834.195571	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M-2H+NH4"	16.019271
"866955"	955.411371	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-2H+NH4"	16.019271
"39598"	1899.758866	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M-2H+Na"	20.974666
"482440"	2839.150966	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M-2H+Na"	20.974666
"859146"	960.366766	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-2H+Na"	20.974666
"1623212"	960.366766	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Na-2H"	20.974666
"99741"	956.373163	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M-H+Cl"	33.962126
"549871"	1426.069213	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M-H+Cl"	33.962126
"940112"	486.677113	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-H+Cl"	33.962126
"277938"	1913.753602	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+Cl"	34.969402
"670358"	2853.145702	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+Cl"	34.969402
"1285685"	974.361502	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Cl"	34.969402
"31163"	1915.732806	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M-2H+K"	36.948606
"471086"	2855.124906	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M-2H+K"	36.948606
"843783"	976.340706	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-2H+K"	36.948606
"1566178"	976.340706	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+K-2H"	36.948606
"951873"	984.390294	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-H+HCOOH"	44.998194
"371181"	1923.782401	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+HCOOH-H"	44.998201
"349598"	1937.798051	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+Hac-H"	59.013851
"1497699"	998.405951	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Hac-H"	59.013851
"969253"	1006.372251	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-H+NaCOOH"	66.980151
"120349"	974.361502	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+2Cl"	69.938804
"559910"	1444.057552	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+2Cl"	69.938804
"1034906"	504.665452	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2Cl"	69.938804
"1254485"	1018.310985	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Br"	78.918885
"1319129"	1020.366972	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Cl+HCOOH"	80.974872
"1335253"	1042.348929	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Cl+NaCOOH"	102.956829
"925130"	1052.377686	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M-H+CF3COOH"	112.985586
"1303979"	1088.354364	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Cl+CF3COOH"	148.962264
"1382601"	904.379424	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H-2H2O"	-35.012676
"1394580"	922.3894	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H-H2O"	-17.0027
"295360"	1879.791476	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+H"	1.007276
"685956"	2819.183576	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+H"	1.007276
"1363770"	940.399376	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H"	1.007276
"140919"	940.399376	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+2H"	2.014552
"580963"	1410.095426	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+2H"	2.014552
"1050853"	470.703326	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2H"	2.014552
"216567"	627.268676	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+3H"	3.021828
"655395"	940.399376	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+3H"	3.021828
"1174614"	314.137976	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+3H"	3.021828
"438986"	1896.818023	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+NH4"	18.033823
"800957"	2836.210123	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+NH4"	18.033823
"1695219"	957.425923	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+NH4"	18.033823
"343133"	948.9126495	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+H+NH4"	19.041099
"731542"	1418.6086995	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+H+NH4"	19.041099
"1487553"	479.2165995	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H+NH4"	19.041099
"406233"	1901.773418	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+Na"	22.989218
"766138"	2841.165518	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+Na"	22.989218
"1607675"	962.381318	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Na"	22.989218
"329673"	951.390347	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+H+Na"	23.996494
"722289"	1421.086397	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+H+Na"	23.996494
"1475625"	481.694297	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H+Na"	23.996494
"1068338"	321.46529	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2H+Na"	25.00377
"1269821"	972.425586	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+CH3OH+H"	33.033486
"390579"	1917.747358	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+K"	38.963158
"750485"	2857.139458	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+K"	38.963158
"1552538"	978.355258	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+K"	38.963158
"313601"	959.377317	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+H+K"	39.970434
"705049"	1429.073367	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+H+K"	39.970434
"1460658"	489.681267	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H+K"	39.970434
"247843"	1920.818026	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+ACN+H"	42.033826
"1218367"	981.425926	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+ACN+H"	42.033826
"1198968"	491.216601	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+ACN+2H"	43.041102
"197305"	1923.75536	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+2Na-H"	44.97116
"631400"	2863.14746	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+2Na-H"	44.97116
"1138185"	984.36326	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2Na-H"	44.97116
"183663"	962.381318	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+2Na"	45.978436
"621036"	1432.077368	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+2Na"	45.978436
"1120166"	492.685268	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2Na"	45.978436
"1408065"	328.792604	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H+2Na"	46.985712
"1440181"	986.404846	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H+HCOOH"	47.012746
"233522"	967.41434	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+3H2O+2H"	56.04448
"1522678"	1000.45689	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+IsoProp+H"	61.06479
"419811"	970.368288	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+Na+K"	61.952376
"780806"	1440.064338	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+Na+K"	61.952376
"1669846"	500.672238	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Na+K"	61.952376
"254907"	1942.799968	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+ACN+Na"	64.015768
"1240385"	1003.407868	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+ACN+Na"	64.015768
"1727449"	1003.431393	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+NH4+HCOOH"	64.039293
"1190614"	336.119918	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+3Na"	68.967654
"1662694"	1008.386788	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Na+HCOOH"	68.994688
"172472"	1955.70324	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+2K-H"	76.91904
"610207"	2895.09534	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+2K-H"	76.91904
"1099751"	1016.31114	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2K-H"	76.91904
"156647"	978.355258	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"2M+2K"	77.926316
"592191"	1448.051308	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"3M+2K"	77.926316
"1084076"	508.659208	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2K"	77.926316
"1111008"	1018.325692	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2K+H"	78.933592
"1346299"	1018.413307	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+DMSO+H"	79.021207
"1020870"	1022.452476	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2ACN+H"	83.060376
"1536238"	1023.446108	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+IsoProp+Na+H"	84.054008
"1004388"	511.729876	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+2ACN+2H"	84.067652
"1598281"	1024.360728	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+K+HCOOH"	84.968628
"1425036"	1054.392238	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+H+CF3COOH"	115.000138
"1155324"	532.243151	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+3ACN+2H"	125.094202
"1704876"	1071.418785	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+NH4+CF3COOH"	132.026685
"1644900"	1076.37418	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+Na+CF3COOH"	136.98208
"1577270"	1092.34812	"C04904"	"N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine"	"C37H61N7O21"	"939.3921"	"M+K+CF3COOH"	152.95602
"812010"	338.0742	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M"	0
"981168"	319.05581	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-H2O-H"	-19.01839
"63246"	224.375524	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M-3H"	-3.021828
"503372"	337.066924	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M-3H"	-3.021828
"883491"	111.684124	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-3H"	-3.021828
"1331"	337.066924	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M-2H"	-2.014552
"453305"	506.104024	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M-2H"	-2.014552
"830256"	168.029824	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-2H"	-2.014552
"92678"	675.141124	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M-H"	-1.007276
"534168"	1013.215324	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M-H"	-1.007276
"903350"	337.066924	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-H"	-1.007276
"54444"	692.167671	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M-2H+NH4"	16.019271
"495098"	1030.241871	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M-2H+NH4"	16.019271
"867065"	354.093471	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-2H+NH4"	16.019271
"39707"	697.123066	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M-2H+Na"	20.974666
"481457"	1035.197266	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M-2H+Na"	20.974666
"855976"	359.048866	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-2H+Na"	20.974666
"1621134"	359.048866	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Na-2H"	20.974666
"99852"	355.055263	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M-H+Cl"	33.962126
"549872"	524.092363	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M-H+Cl"	33.962126
"939493"	186.018163	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-H+Cl"	33.962126
"278048"	711.117802	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+Cl"	34.969402
"669375"	1049.192002	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+Cl"	34.969402
"1286646"	373.043602	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Cl"	34.969402
"30425"	713.097006	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M-2H+K"	36.948606
"470468"	1051.171206	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M-2H+K"	36.948606
"843893"	375.022806	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-2H+K"	36.948606
"1566288"	375.022806	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+K-2H"	36.948606
"953076"	383.072394	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-H+HCOOH"	44.998194
"375667"	721.146601	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+HCOOH-H"	44.998201
"349708"	735.162251	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+Hac-H"	59.013851
"1497080"	397.088051	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Hac-H"	59.013851
"967176"	405.054351	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-H+NaCOOH"	66.980151
"121552"	373.043602	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+2Cl"	69.938804
"555644"	542.080702	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+2Cl"	69.938804
"1022050"	204.006502	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2Cl"	69.938804
"1255688"	416.993085	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Br"	78.918885
"1319240"	419.049072	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Cl+HCOOH"	80.974872
"1334548"	441.031029	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Cl+NaCOOH"	102.956829
"926701"	451.059786	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M-H+CF3COOH"	112.985586
"1303532"	487.036464	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Cl+CF3COOH"	148.962264
"1381571"	303.061524	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H-2H2O"	-35.012676
"1395054"	321.0715	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H-H2O"	-17.0027
"294741"	677.155676	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+H"	1.007276
"686432"	1015.229876	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+H"	1.007276
"1364244"	339.081476	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H"	1.007276
"139688"	339.081476	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+2H"	2.014552
"578884"	508.118576	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+2H"	2.014552
"1048411"	170.044376	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2H"	2.014552
"215947"	226.390076	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+3H"	3.021828
"652225"	339.081476	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+3H"	3.021828
"1174725"	113.698676	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+3H"	3.021828
"439745"	694.182223	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+NH4"	18.033823
"799364"	1032.256423	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+NH4"	18.033823
"1694966"	356.108023	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+NH4"	18.033823
"340326"	347.5947495	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+H+NH4"	19.041099
"731652"	516.6318495	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+H+NH4"	19.041099
"1482196"	178.5576495	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H+NH4"	19.041099
"401969"	699.137618	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+Na"	22.989218
"768924"	1037.211818	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+Na"	22.989218
"1609972"	361.063418	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Na"	22.989218
"320008"	350.072447	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+H+Na"	23.996494
"721913"	519.109547	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+H+Na"	23.996494
"1472820"	181.035347	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H+Na"	23.996494
"1064973"	121.02599	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2H+Na"	25.00377
"1267745"	371.107686	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+CH3OH+H"	33.033486
"388503"	715.111558	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+K"	38.963158
"750595"	1053.185758	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+K"	38.963158
"1552647"	377.037358	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+K"	38.963158
"310917"	358.059417	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+H+K"	39.970434
"704795"	527.096517	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+H+K"	39.970434
"1459350"	189.022317	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H+K"	39.970434
"242485"	718.182226	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+ACN+H"	42.033826
"1215196"	380.108026	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+ACN+H"	42.033826
"1197619"	190.557651	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+ACN+2H"	43.041102
"191218"	721.11956	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+2Na-H"	44.97116
"629079"	1059.19376	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+2Na-H"	44.97116
"1135015"	383.04536	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2Na-H"	44.97116
"176484"	361.063418	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+2Na"	45.978436
"613167"	530.100518	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+2Na"	45.978436
"1115635"	192.026318	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2Na"	45.978436
"1402708"	128.353304	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H+2Na"	46.985712
"1434459"	385.086946	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H+HCOOH"	47.012746
"229986"	366.09644	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+3H2O+2H"	56.04448
"1521694"	399.13899	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+IsoProp+H"	61.06479
"419921"	369.050388	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+Na+K"	61.952376
"779823"	538.087488	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+Na+K"	61.952376
"1670686"	200.013288	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Na+K"	61.952376
"251852"	740.164168	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+ACN+Na"	64.015768
"1240128"	402.089968	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+ACN+Na"	64.015768
"1726952"	402.113493	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+NH4+HCOOH"	64.039293
"1192912"	135.680618	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+3Na"	68.967654
"1662804"	407.068888	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Na+HCOOH"	68.994688
"170758"	753.06744	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+2K-H"	76.91904
"610316"	1091.14164	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+2K-H"	76.91904
"1098723"	414.99324	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2K-H"	76.91904
"155418"	377.037358	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"2M+2K"	77.926316
"596072"	546.074458	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"3M+2K"	77.926316
"1082890"	208.000258	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2K"	77.926316
"1111118"	417.007792	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2K+H"	78.933592
"1344222"	417.095407	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+DMSO+H"	79.021207
"1020167"	421.134576	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2ACN+H"	83.060376
"1533066"	422.128208	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+IsoProp+Na+H"	84.054008
"1000607"	211.070926	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+2ACN+2H"	84.067652
"1598391"	423.042828	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+K+HCOOH"	84.968628
"1422961"	453.074338	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+H+CF3COOH"	115.000138
"1154341"	231.584201	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+3ACN+2H"	125.094202
"1704986"	470.100885	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+NH4+CF3COOH"	132.026685
"1639542"	475.05628	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+Na+CF3COOH"	136.98208
"1577380"	491.03022	"C04905"	"1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Pyrithiamine bromide;Pyrithiamine"	"C14H19N4OBr"	"338.0742"	"M+K+CF3COOH"	152.95602
"807746"	339.0582	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M"	0
"977995"	320.03981	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-H2O-H"	-19.01839
"67334"	225.031524	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M-3H"	-3.021828
"510177"	338.050924	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M-3H"	-3.021828
"893453"	112.012124	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-3H"	-3.021828
"13120"	338.050924	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M-2H"	-2.014552
"451586"	507.580024	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M-2H"	-2.014552
"830482"	168.521824	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-2H"	-2.014552
"93272"	677.109124	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M-H"	-1.007276
"532830"	1016.167324	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M-H"	-1.007276
"905648"	338.050924	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-H"	-1.007276
"60996"	694.135671	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M-2H+NH4"	16.019271
"500437"	1033.193871	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M-2H+NH4"	16.019271
"878855"	355.077471	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-2H+NH4"	16.019271
"46710"	699.091066	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M-2H+Na"	20.974666
"483753"	1038.149266	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M-2H+Na"	20.974666
"857184"	360.032866	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-2H+Na"	20.974666
"1632795"	360.032866	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Na-2H"	20.974666
"107621"	356.039263	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M-H+Cl"	33.962126
"549006"	525.568363	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M-H+Cl"	33.962126
"938509"	186.510163	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-H+Cl"	33.962126
"274885"	713.085802	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+Cl"	34.969402
"672778"	1052.144002	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+Cl"	34.969402
"1285546"	374.027602	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Cl"	34.969402
"22271"	715.065006	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M-2H+K"	36.948606
"466205"	1054.123206	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M-2H+K"	36.948606
"844736"	376.006806	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-2H+K"	36.948606
"1569317"	376.006806	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+K-2H"	36.948606
"955014"	384.056394	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-H+HCOOH"	44.998194
"373227"	723.114601	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+HCOOH-H"	44.998201
"358572"	737.130251	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+Hac-H"	59.013851
"1505214"	398.072051	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Hac-H"	59.013851
"972273"	406.038351	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-H+NaCOOH"	66.980151
"122757"	374.027602	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+2Cl"	69.938804
"562690"	543.556702	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+2Cl"	69.938804
"1035505"	204.498502	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2Cl"	69.938804
"1256419"	417.977085	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Br"	78.918885
"1318867"	420.033072	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Cl+HCOOH"	80.974872
"1329551"	442.015029	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Cl+NaCOOH"	102.956829
"922801"	452.043786	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M-H+CF3COOH"	112.985586
"1302061"	488.020464	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Cl+CF3COOH"	148.962264
"1379127"	304.045524	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H-2H2O"	-35.012676
"1394073"	322.0555	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H-H2O"	-17.0027
"292666"	679.123676	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+H"	1.007276
"690202"	1018.181876	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+H"	1.007276
"1365461"	340.065476	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H"	1.007276
"139685"	340.065476	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+2H"	2.014552
"579975"	509.594576	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+2H"	2.014552
"1051931"	170.536376	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2H"	2.014552
"214963"	227.046076	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+3H"	3.021828
"657445"	340.065476	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+3H"	3.021828
"1176670"	114.026676	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+3H"	3.021828
"438484"	696.150223	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+NH4"	18.033823
"800204"	1035.208423	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+NH4"	18.033823
"1692159"	357.092023	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+NH4"	18.033823
"342630"	348.5787495	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+H+NH4"	19.041099
"733955"	518.1078495	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+H+NH4"	19.041099
"1488871"	179.0496495	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H+NH4"	19.041099
"405362"	701.105618	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+Na"	22.989218
"759796"	1040.163818	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+Na"	22.989218
"1617504"	362.047418	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Na"	22.989218
"329602"	351.056447	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+H+Na"	23.996494
"721296"	520.585547	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+H+Na"	23.996494
"1474022"	181.527347	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H+Na"	23.996494
"1067266"	121.35399	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2H+Na"	25.00377
"1267853"	372.091686	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+CH3OH+H"	33.033486
"389349"	717.079558	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+K"	38.963158
"752532"	1056.137758	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+K"	38.963158
"1553615"	378.021358	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+K"	38.963158
"308843"	359.043417	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+H+K"	39.970434
"703819"	528.572517	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+H+K"	39.970434
"1458365"	189.514317	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H+K"	39.970434
"244783"	720.150226	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+ACN+H"	42.033826
"1220770"	381.092026	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+ACN+H"	42.033826
"1206478"	191.049651	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+ACN+2H"	43.041102
"193516"	723.08756	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+2Na-H"	44.97116
"634900"	1062.14576	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+2Na-H"	44.97116
"1135125"	384.02936	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2Na-H"	44.97116
"179507"	362.047418	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+2Na"	45.978436
"616152"	531.576518	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+2Na"	45.978436
"1121479"	192.518318	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2Na"	45.978436
"1403911"	128.681304	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H+2Na"	46.985712
"1440401"	386.070946	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H+HCOOH"	47.012746
"230096"	367.08044	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+3H2O+2H"	56.04448
"1518158"	400.12299	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+IsoProp+H"	61.06479
"417844"	370.034388	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+Na+K"	61.952376
"777746"	539.563488	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+Na+K"	61.952376
"1678821"	200.505288	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Na+K"	61.952376
"263884"	742.132168	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+ACN+Na"	64.015768
"1235135"	403.073968	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+ACN+Na"	64.015768
"1722198"	403.097493	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+NH4+HCOOH"	64.039293
"1191197"	136.008618	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+3Na"	68.967654
"1659632"	408.052888	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Na+HCOOH"	68.994688
"170869"	755.03544	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+2K-H"	76.91904
"612623"	1094.09364	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+2K-H"	76.91904
"1098228"	415.97724	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2K-H"	76.91904
"156379"	378.021358	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"2M+2K"	77.926316
"592413"	547.550458	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"3M+2K"	77.926316
"1079112"	208.492258	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2K"	77.926316
"1112322"	417.991792	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2K+H"	78.933592
"1338137"	418.079407	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+DMSO+H"	79.021207
"1020277"	422.118576	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2ACN+H"	83.060376
"1536458"	423.112208	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+IsoProp+Na+H"	84.054008
"997435"	211.562926	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+2ACN+2H"	84.067652
"1589753"	424.026828	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+K+HCOOH"	84.968628
"1418691"	454.058338	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+H+CF3COOH"	115.000138
"1156635"	232.076201	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+3ACN+2H"	125.094202
"1705093"	471.084885	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+NH4+CF3COOH"	132.026685
"1636373"	476.04028	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+Na+CF3COOH"	136.98208
"1577492"	492.01422	"C04908"	"1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;Oxypyrithiamine bromide;Oxypyrithiamine"	"C14H18N3O2Br"	"339.0582"	"M+K+CF3COOH"	152.95602
"807861"	577.0822	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M"	0
"986862"	558.06381	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H2O-H"	-19.01839
"75104"	383.714190666667	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-3H"	-3.021828
"517584"	576.074924	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-3H"	-3.021828
"892466"	191.353457333333	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-3H"	-3.021828
"11041"	576.074924	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H"	-2.014552
"452790"	864.616024	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H"	-2.014552
"829498"	287.533824	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H"	-2.014552
"92649"	1153.157124	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-H"	-1.007276
"534082"	1730.239324	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-H"	-1.007276
"907945"	576.074924	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H"	-1.007276
"62529"	1170.183671	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H+NH4"	16.019271
"500790"	1747.265871	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H+NH4"	16.019271
"867660"	593.101471	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H+NH4"	16.019271
"41029"	1175.139066	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H+Na"	20.974666
"481683"	1752.221266	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H+Na"	20.974666
"856203"	598.056866	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H+Na"	20.974666
"1626833"	598.056866	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na-2H"	20.974666
"107380"	594.063263	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-H+Cl"	33.962126
"548888"	882.604363	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-H+Cl"	33.962126
"940457"	305.522163	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+Cl"	33.962126
"280471"	1189.133802	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Cl"	34.969402
"672889"	1766.216002	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+Cl"	34.969402
"1286023"	612.051602	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl"	34.969402
"26756"	1191.113006	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M-2H+K"	36.948606
"469234"	1768.195206	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M-2H+K"	36.948606
"845943"	614.030806	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-2H+K"	36.948606
"1570159"	614.030806	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K-2H"	36.948606
"956222"	622.080394	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+HCOOH"	44.998194
"374071"	1199.162601	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+HCOOH-H"	44.998201
"356496"	1213.178251	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Hac-H"	59.013851
"1504970"	636.096051	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Hac-H"	59.013851
"968498"	644.062351	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+NaCOOH"	66.980151
"124585"	612.051602	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2Cl"	69.938804
"564996"	900.592702	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2Cl"	69.938804
"1036099"	323.510502	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2Cl"	69.938804
"1256291"	656.001085	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Br"	78.918885
"1318737"	658.057072	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl+HCOOH"	80.974872
"1335265"	680.039029	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl+NaCOOH"	102.956829
"926940"	690.067786	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M-H+CF3COOH"	112.985586
"1303029"	726.044464	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Cl+CF3COOH"	148.962264
"1382416"	542.069524	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H-2H2O"	-35.012676
"1398171"	560.0795	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H-H2O"	-17.0027
"298442"	1155.171676	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H"	1.007276
"690920"	1732.253876	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H"	1.007276
"1366298"	578.089476	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H"	1.007276
"140884"	578.089476	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2H"	2.014552
"580934"	866.630576	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2H"	2.014552
"1049367"	289.548376	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2H"	2.014552
"218362"	385.728742666667	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+3H"	3.021828
"659382"	578.089476	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+3H"	3.021828
"1176778"	193.368009333333	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+3H"	3.021828
"438957"	1172.198223	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+NH4"	18.033823
"795943"	1749.280423	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+NH4"	18.033823
"1687901"	595.116023	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+NH4"	18.033823
"341644"	586.6027495	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H+NH4"	19.041099
"737673"	875.1438495	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H+NH4"	19.041099
"1490079"	298.0616495	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+NH4"	19.041099
"408362"	1177.153618	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Na"	22.989218
"765379"	1754.235818	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+Na"	22.989218
"1615662"	600.071418	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na"	22.989218
"327889"	589.080447	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H+Na"	23.996494
"718126"	877.621547	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H+Na"	23.996494
"1476197"	300.539347	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+Na"	23.996494
"1065192"	200.695323333333	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2H+Na"	25.00377
"1265779"	610.115686	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+CH3OH+H"	33.033486
"384354"	1193.127558	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+K"	38.963158
"747537"	1770.209758	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+K"	38.963158
"1549591"	616.045358	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K"	38.963158
"305673"	597.067417	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+H+K"	39.970434
"702469"	885.608517	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+H+K"	39.970434
"1457382"	308.526317	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+K"	39.970434
"248170"	1196.198226	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+ACN+H"	42.033826
"1219786"	619.116026	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+ACN+H"	42.033826
"1200757"	310.061651	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+ACN+2H"	43.041102
"192533"	1199.13556	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2Na-H"	44.97116
"630147"	1776.21776	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2Na-H"	44.97116
"1138515"	622.05336	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2Na-H"	44.97116
"184720"	600.071418	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2Na"	45.978436
"618084"	888.612518	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2Na"	45.978436
"1123776"	311.530318	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2Na"	45.978436
"1400008"	208.022637333333	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+2Na"	46.985712
"1437232"	624.094946	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+HCOOH"	47.012746
"228023"	605.10444	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+3H2O+2H"	56.04448
"1518273"	638.14699	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+IsoProp+H"	61.06479
"420512"	608.058388	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+Na+K"	61.952376
"776403"	896.599488	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+Na+K"	61.952376
"1677475"	319.517288	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na+K"	61.952376
"264724"	1218.180168	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+ACN+Na"	64.015768
"1234151"	641.097968	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+ACN+Na"	64.015768
"1725954"	641.121493	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+NH4+HCOOH"	64.039293
"1190579"	215.349951333333	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+3Na"	68.967654
"1663390"	646.076888	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na+HCOOH"	68.994688
"168791"	1231.08344	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2K-H"	76.91904
"611269"	1808.16564	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2K-H"	76.91904
"1097239"	654.00124	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2K-H"	76.91904
"154057"	616.045358	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"2M+2K"	77.926316
"591429"	904.586458	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"3M+2K"	77.926316
"1078129"	327.504258	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2K"	77.926316
"1112432"	656.015792	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2K+H"	78.933592
"1344444"	656.103407	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+DMSO+H"	79.021207
"1010786"	660.142576	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2ACN+H"	83.060376
"1530001"	661.136208	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+IsoProp+Na+H"	84.054008
"993173"	330.574926	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+2ACN+2H"	84.067652
"1589863"	662.050828	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K+HCOOH"	84.968628
"1419896"	692.082338	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+H+CF3COOH"	115.000138
"1156745"	351.088201	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+3ACN+2H"	125.094202
"1701921"	709.108885	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+NH4+CF3COOH"	132.026685
"1634661"	714.06428	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+Na+CF3COOH"	136.98208
"1577607"	730.03822	"C04916"	"N-(5-Phospho-D-1-ribulosylformimino)-5-amino-1-(5-phospho-D-ribosyl)-4-imidazolecarboxamide;5-(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino-1-(5-phosphoribosyl)imidazole-4-carboxamide;Phosphoribulosyl-formimino-AICAR-phosphate;5-(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide"	"C15H25N5O15P2"	"577.0822"	"M+K+CF3COOH"	152.95602
"807972"	1404.854	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M"	0
"982598"	1385.83561	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-H2O-H"	-19.01839
"75945"	935.562057333333	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M-3H"	-3.021828
"516598"	1403.846724	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M-3H"	-3.021828
"890389"	467.277390666667	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-3H"	-3.021828
"8966"	1403.846724	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M-2H"	-2.014552
"451807"	2106.273724	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M-2H"	-2.014552
"829608"	701.419724	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-2H"	-2.014552
"92880"	2808.700724	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M-H"	-1.007276
"533659"	4213.554724	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M-H"	-1.007276
"903684"	1403.846724	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-H"	-1.007276
"62719"	2825.727271	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M-2H+NH4"	16.019271
"497619"	4230.581271	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M-2H+NH4"	16.019271
"876515"	1420.873271	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-2H+NH4"	16.019271
"35669"	2830.682666	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M-2H+Na"	20.974666
"475231"	4235.536666	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M-2H+Na"	20.974666
"853036"	1425.828666	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-2H+Na"	20.974666
"1629134"	1425.828666	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Na-2H"	20.974666
"108949"	1421.835063	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M-H+Cl"	33.962126
"547416"	2124.262063	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M-H+Cl"	33.962126
"942150"	719.408063	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-H+Cl"	33.962126
"281678"	2844.677402	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+Cl"	34.969402
"673727"	4249.531402	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+Cl"	34.969402
"1285038"	1439.823402	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Cl"	34.969402
"20305"	2846.656606	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M-2H+K"	36.948606
"470438"	4251.510606	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M-2H+K"	36.948606
"844228"	1441.802606	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-2H+K"	36.948606
"1569539"	1441.802606	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+K-2H"	36.948606
"955602"	1449.852194	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-H+HCOOH"	44.998194
"373816"	2854.706201	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+HCOOH-H"	44.998201
"355514"	2868.721851	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+Hac-H"	59.013851
"1505811"	1463.867851	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Hac-H"	59.013851
"972619"	1471.834151	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-H+NaCOOH"	66.980151
"122985"	1439.823402	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+2Cl"	69.938804
"564007"	2142.250402	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+2Cl"	69.938804
"1032804"	737.396402	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2Cl"	69.938804
"1252746"	1483.772885	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Br"	78.918885
"1318478"	1485.828872	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Cl+HCOOH"	80.974872
"1335247"	1507.810829	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Cl+NaCOOH"	102.956829
"925580"	1517.839586	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M-H+CF3COOH"	112.985586
"1302284"	1553.816264	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Cl+CF3COOH"	148.962264
"1382032"	1369.841324	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H-2H2O"	-35.012676
"1397581"	1387.8513	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H-H2O"	-17.0027
"297876"	2810.715276	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+H"	1.007276
"691148"	4215.569276	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+H"	1.007276
"1366646"	1405.861276	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H"	1.007276
"137104"	1405.861276	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+2H"	2.014552
"579945"	2108.288276	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+2H"	2.014552
"1051297"	703.434276	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2H"	2.014552
"218837"	937.576609333333	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+3H"	3.021828
"658761"	1405.861276	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+3H"	3.021828
"1175792"	469.291942666667	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+3H"	3.021828
"431775"	2827.741823	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+NH4"	18.033823
"798236"	4232.595823	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+NH4"	18.033823
"1689103"	1422.887823	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+NH4"	18.033823
"338477"	1414.3745495	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+H+NH4"	19.041099
"736366"	2116.8015495	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+H+NH4"	19.041099
"1490918"	711.9475495	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H+NH4"	19.041099
"403403"	2832.697218	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+Na"	22.989218
"762209"	4237.551218	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+Na"	22.989218
"1611401"	1427.843218	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Na"	22.989218
"324720"	1416.852247	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+H+Na"	23.996494
"718235"	2119.279247	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+H+Na"	23.996494
"1474241"	714.425247	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H+Na"	23.996494
"1055462"	476.619256666667	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2H+Na"	25.00377
"1261516"	1437.887486	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+CH3OH+H"	33.033486
"381184"	2848.671158	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+K"	38.963158
"743271"	4253.525158	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+K"	38.963158
"1545326"	1443.817158	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+K"	38.963158
"305783"	1424.839217	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+H+K"	39.970434
"700392"	2127.266217	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+H+K"	39.970434
"1456398"	722.412217	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H+K"	39.970434
"239534"	2851.741826	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+ACN+H"	42.033826
"1212244"	1446.887826	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+ACN+H"	42.033826
"1195640"	723.947551	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+ACN+2H"	43.041102
"189237"	2854.67916	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+2Na-H"	44.97116
"629161"	4259.53316	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+2Na-H"	44.97116
"1135709"	1449.82516	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2Na-H"	44.97116
"180820"	1427.843218	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+2Na"	45.978436
"618194"	2130.270218	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+2Na"	45.978436
"1118783"	725.416218	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2Na"	45.978436
"1407415"	483.946570666667	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H+2Na"	46.985712
"1435155"	1451.866746	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H+HCOOH"	47.012746
"221201"	1432.87624	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+3H2O+2H"	56.04448
"1516195"	1465.91879	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+IsoProp+H"	61.06479
"419163"	1435.830188	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+Na+K"	61.952376
"777970"	2138.257188	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+Na+K"	61.952376
"1678678"	733.403188	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Na+K"	61.952376
"263010"	2873.723768	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+ACN+Na"	64.015768
"1237176"	1468.869768	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+ACN+Na"	64.015768
"1727645"	1468.893293	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+NH4+HCOOH"	64.039293
"1193604"	491.273884666667	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+3Na"	68.967654
"1659852"	1473.848688	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Na+HCOOH"	68.994688
"172431"	2886.62704	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+2K-H"	76.91904
"609558"	4291.48104	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+2K-H"	76.91904
"1097349"	1481.77304	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2K-H"	76.91904
"151979"	1443.817158	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"2M+2K"	77.926316
"592633"	2146.244158	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"3M+2K"	77.926316
"1076054"	741.390158	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2K"	77.926316
"1108169"	1483.787592	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2K+H"	78.933592
"1345648"	1483.875207	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+DMSO+H"	79.021207
"1010896"	1487.914376	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2ACN+H"	83.060376
"1532303"	1488.908008	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+IsoProp+Na+H"	84.054008
"993281"	744.460826	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+2ACN+2H"	84.067652
"1589973"	1489.822628	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+K+HCOOH"	84.968628
"1418181"	1519.854138	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+H+CF3COOH"	115.000138
"1154668"	764.974101	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+3ACN+2H"	125.094202
"1698755"	1536.880685	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+NH4+CF3COOH"	132.026685
"1645348"	1541.83608	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+Na+CF3COOH"	136.98208
"1577718"	1557.81002	"C04919"	"2323-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;2323-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate;Lipid A disaccharide bisphosphate;Lipid IV(A);2-Deoxy-2-(3R)-3-hydroxytetradecanoylamino-3-O-(3R)-3-hydroxytetradecanoyl-4-O-phospho-beta-D-glucopyranosyl-(1-6)-2-deoxy-3-O-(3R)-3-hydroxytetradecanoyl-2-(3R)-3-hydroxytetradecanoylamino-1-O-phospho-alpha-D-glucopyranose"	"C68H130N2O23P2"	"1404.854"	"M+K+CF3COOH"	152.95602
"808084"	869.3012	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M"	0
"976147"	850.28281	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-H2O-H"	-19.01839
"67669"	578.526857333333	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M-3H"	-3.021828
"506506"	868.293924	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M-3H"	-3.021828
"881756"	288.759790666667	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-3H"	-3.021828
"9077"	868.293924	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M-2H"	-2.014552
"444264"	1302.944524	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M-2H"	-2.014552
"827532"	433.643324	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-2H"	-2.014552
"80969"	1737.595124	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M-H"	-1.007276
"524901"	2606.896324	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M-H"	-1.007276
"896870"	868.293924	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-H"	-1.007276
"49057"	1754.621671	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M-2H+NH4"	16.019271
"492266"	2623.922871	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M-2H+NH4"	16.019271
"866787"	885.320471	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-2H+NH4"	16.019271
"37974"	1759.577066	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M-2H+Na"	20.974666
"486778"	2628.878266	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M-2H+Na"	20.974666
"863728"	890.275866	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-2H+Na"	20.974666
"1632163"	890.275866	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Na-2H"	20.974666
"105774"	886.282263	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M-H+Cl"	33.962126
"547522"	1320.932863	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M-H+Cl"	33.962126
"935569"	451.631663	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-H+Cl"	33.962126
"275220"	1773.571802	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+Cl"	34.969402
"672016"	2642.873002	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+Cl"	34.969402
"1285148"	904.270602	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Cl"	34.969402
"28070"	1775.551006	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M-2H+K"	36.948606
"463258"	2644.852206	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M-2H+K"	36.948606
"843250"	906.249806	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-2H+K"	36.948606
"1564550"	906.249806	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+K-2H"	36.948606
"949149"	914.299394	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-H+HCOOH"	44.998194
"372830"	1783.600601	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+HCOOH-H"	44.998201
"355622"	1797.616251	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+Hac-H"	59.013851
"1497530"	928.315051	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Hac-H"	59.013851
"970907"	936.281351	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-H+NaCOOH"	66.980151
"119810"	904.270602	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+2Cl"	69.938804
"562651"	1338.921202	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+2Cl"	69.938804
"1032546"	469.620002	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2Cl"	69.938804
"1255050"	948.220085	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Br"	78.918885
"1313486"	950.276072	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Cl+HCOOH"	80.974872
"1330620"	972.258029	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Cl+NaCOOH"	102.956829
"924594"	982.286786	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M-H+CF3COOH"	112.985586
"1294377"	1018.263464	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Cl+CF3COOH"	148.962264
"1378735"	834.288524	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H-2H2O"	-35.012676
"1397326"	852.2985	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H-H2O"	-17.0027
"295918"	1739.609676	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+H"	1.007276
"684331"	2608.910876	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+H"	1.007276
"1356306"	870.308476	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H"	1.007276
"130653"	870.308476	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+2H"	2.014552
"570941"	1304.959076	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+2H"	2.014552
"1039742"	435.657876	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2H"	2.014552
"208738"	580.541409333333	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+3H"	3.021828
"644637"	870.308476	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+3H"	3.021828
"1162855"	290.774342666667	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+3H"	3.021828
"424278"	1756.636223	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+NH4"	18.033823
"796167"	2625.937423	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+NH4"	18.033823
"1688124"	887.335023	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+NH4"	18.033823
"336401"	878.8217495	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+H+NH4"	19.041099
"726272"	1313.4723495	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+H+NH4"	19.041099
"1482280"	444.1711495	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H+NH4"	19.041099
"396219"	1761.591618	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+Na"	22.989218
"757217"	2630.892818	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+Na"	22.989218
"1604220"	892.290418	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Na"	22.989218
"317901"	881.299447	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+H+Na"	23.996494
"719445"	1315.950047	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+H+Na"	23.996494
"1471076"	446.648847	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H+Na"	23.996494
"1062135"	298.101656666667	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2H+Na"	25.00377
"1267094"	902.334686	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+CH3OH+H"	33.033486
"381294"	1777.565558	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+K"	38.963158
"741194"	2646.866758	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+K"	38.963158
"1544339"	908.264358	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+K"	38.963158
"304797"	889.286417	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+H+K"	39.970434
"696128"	1323.937017	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+H+K"	39.970434
"1448853"	454.635817	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H+K"	39.970434
"238549"	1780.636226	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+ACN+H"	42.033826
"1209955"	911.335026	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+ACN+H"	42.033826
"1194485"	456.171151	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+ACN+2H"	43.041102
"188780"	1783.57356	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+2Na-H"	44.97116
"628821"	2652.87476	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+2Na-H"	44.97116
"1131680"	914.27236	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2Na-H"	44.97116
"173065"	892.290418	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+2Na"	45.978436
"622684"	1326.941018	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+2Na"	45.978436
"1126921"	457.639818	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2Na"	45.978436
"1411416"	305.428970666667	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H+2Na"	46.985712
"1441467"	916.313946	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H+HCOOH"	47.012746
"231527"	897.32344	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+3H2O+2H"	56.04448
"1520318"	930.36599	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+IsoProp+H"	61.06479
"421098"	900.277388	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+Na+K"	61.952376
"785017"	1334.927988	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+Na+K"	61.952376
"1678790"	465.626788	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Na+K"	61.952376
"263123"	1802.618168	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+ACN+Na"	64.015768
"1237653"	933.316968	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+ACN+Na"	64.015768
"1720341"	933.340493	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+NH4+HCOOH"	64.039293
"1186796"	312.756284666667	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+3Na"	68.967654
"1651220"	938.295888	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Na+HCOOH"	68.994688
"158445"	1815.52144	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+2K-H"	76.91904
"602015"	2684.82264	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+2K-H"	76.91904
"1088716"	946.22024	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2K-H"	76.91904
"145530"	908.264358	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"2M+2K"	77.926316
"587275"	1342.914958	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"3M+2K"	77.926316
"1072882"	473.613758	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2K"	77.926316
"1106091"	948.234792	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2K+H"	78.933592
"1337372"	948.322407	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+DMSO+H"	79.021207
"1007361"	952.361576	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2ACN+H"	83.060376
"1525243"	953.355208	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+IsoProp+Na+H"	84.054008
"992662"	476.684426	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+2ACN+2H"	84.067652
"1588986"	954.269828	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+K+HCOOH"	84.968628
"1419031"	984.301338	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+H+CF3COOH"	115.000138
"1155884"	497.197701	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+3ACN+2H"	125.094202
"1706530"	1001.327885	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+NH4+CF3COOH"	132.026685
"1639993"	1006.28328	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+Na+CF3COOH"	136.98208
"1581110"	1022.25722	"C04923"	"13-alpha-D-Mannosyl-(12-N-acetyl-alpha-D-glucosaminyl)-12-alpha-D-mannosyl-12-alpha-D-mannosyl-D-mannose"	"C32H55NO26"	"869.3012"	"M+K+CF3COOH"	152.95602
"808200"	508.2468	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M"	0
"988296"	489.22841	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-H2O-H"	-19.01839
"77638"	337.823924	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M-3H"	-3.021828
"515010"	507.239524	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M-3H"	-3.021828
"892810"	168.408324	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-3H"	-3.021828
"12479"	507.239524	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M-2H"	-2.014552
"454227"	761.362924	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M-2H"	-2.014552
"827654"	253.116124	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-2H"	-2.014552
"84366"	1015.486324	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M-H"	-1.007276
"525020"	1523.733124	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M-H"	-1.007276
"907202"	507.239524	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-H"	-1.007276
"57202"	1032.512871	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M-2H+NH4"	16.019271
"494574"	1540.759671	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M-2H+NH4"	16.019271
"869096"	524.266071	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-2H+NH4"	16.019271
"32259"	1037.468266	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M-2H+Na"	20.974666
"478746"	1545.715066	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M-2H+Na"	20.974666
"851079"	529.221466	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-2H+Na"	20.974666
"1619155"	529.221466	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Na-2H"	20.974666
"97506"	525.227863	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M-H+Cl"	33.962126
"543265"	779.351263	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M-H+Cl"	33.962126
"935687"	271.104463	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-H+Cl"	33.962126
"272056"	1051.463002	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+Cl"	34.969402
"666662"	1559.709802	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+Cl"	34.969402
"1285632"	543.216202	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Cl"	34.969402
"27096"	1053.442206	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M-2H+K"	36.948606
"466655"	1561.689006	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M-2H+K"	36.948606
"843730"	545.195406	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-2H+K"	36.948606
"1564662"	545.195406	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+K-2H"	36.948606
"954736"	553.244994	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-H+HCOOH"	44.998194
"371857"	1061.491801	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+HCOOH-H"	44.998201
"353553"	1075.507451	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+Hac-H"	59.013851
"1503118"	567.260651	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Hac-H"	59.013851
"970662"	575.226951	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-H+NaCOOH"	66.980151
"119568"	543.216202	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+2Cl"	69.938804
"552933"	797.339602	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+2Cl"	69.938804
"1029388"	289.092802	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2Cl"	69.938804
"1253341"	587.165685	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Br"	78.918885
"1315788"	589.221672	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Cl+HCOOH"	80.974872
"1328911"	611.203629	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Cl+NaCOOH"	102.956829
"925074"	621.232386	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M-H+CF3COOH"	112.985586
"1299962"	657.209064	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Cl+CF3COOH"	148.962264
"1381042"	473.234124	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H-2H2O"	-35.012676
"1393434"	491.2441	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H-H2O"	-17.0027
"285465"	1017.500876	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+H"	1.007276
"676426"	1525.747676	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+H"	1.007276
"1359706"	509.254076	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H"	1.007276
"135874"	509.254076	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+2H"	2.014552
"571060"	763.377476	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+2H"	2.014552
"1044245"	255.130676	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2H"	2.014552
"213970"	339.838476	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+3H"	3.021828
"654986"	509.254076	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+3H"	3.021828
"1170926"	170.422876	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+3H"	3.021828
"435290"	1034.527423	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+NH4"	18.033823
"795192"	1542.774223	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+NH4"	18.033823
"1689335"	526.280623	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+NH4"	18.033823
"338707"	517.7673495	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+H+NH4"	19.041099
"733315"	771.8907495	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+H+NH4"	19.041099
"1483858"	263.6439495	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H+NH4"	19.041099
"398164"	1039.482818	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+Na"	22.989218
"761347"	1547.729618	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+Na"	22.989218
"1608353"	531.236018	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Na"	22.989218
"315228"	520.245047	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+H+Na"	23.996494
"711905"	774.368447	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+H+Na"	23.996494
"1464631"	266.121647	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H+Na"	23.996494
"1055690"	177.75019	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2H+Na"	25.00377
"1259554"	541.280286	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+CH3OH+H"	33.033486
"381409"	1055.456758	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+K"	38.963158
"740218"	1563.703558	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+K"	38.963158
"1543363"	547.209958	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+K"	38.963158
"298612"	528.232017	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+H+K"	39.970434
"692351"	782.355417	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+H+K"	39.970434
"1445762"	274.108617	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H+K"	39.970434
"235905"	1058.527426	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+ACN+H"	42.033826
"1209949"	550.280626	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+ACN+H"	42.033826
"1208996"	275.643951	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+ACN+2H"	43.041102
"201258"	1061.46476	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+2Na-H"	44.97116
"644048"	1569.71156	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+2Na-H"	44.97116
"1143233"	553.21796	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2Na-H"	44.97116
"184335"	531.236018	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+2Na"	45.978436
"627908"	785.359418	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+2Na"	45.978436
"1127401"	277.112618	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2Na"	45.978436
"1406550"	185.077504	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H+2Na"	46.985712
"1440851"	555.259546	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H+HCOOH"	47.012746
"223985"	536.26904	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+3H2O+2H"	56.04448
"1513140"	569.31159	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+IsoProp+H"	61.06479
"417203"	539.222988	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+Na+K"	61.952376
"777106"	793.346388	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+Na+K"	61.952376
"1668698"	285.099588	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Na+K"	61.952376
"254488"	1080.509368	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+ACN+Na"	64.015768
"1228287"	572.262568	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+ACN+Na"	64.015768
"1714017"	572.286093	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+NH4+HCOOH"	64.039293
"1179129"	192.404818	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+3Na"	68.967654
"1651088"	577.241488	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Na+HCOOH"	68.994688
"157663"	1093.41264	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+2K-H"	76.91904
"599940"	1601.65944	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+2K-H"	76.91904
"1088098"	585.16584	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2K-H"	76.91904
"153304"	547.209958	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"2M+2K"	77.926316
"592136"	801.333358	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"3M+2K"	77.926316
"1081387"	293.086558	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2K"	77.926316
"1101838"	587.180392	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2K+H"	78.933592
"1336276"	587.268007	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+DMSO+H"	79.021207
"1016598"	591.307176	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2ACN+H"	83.060376
"1529255"	592.300808	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+IsoProp+Na+H"	84.054008
"993514"	296.157226	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+2ACN+2H"	84.067652
"1591299"	593.215428	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+K+HCOOH"	84.968628
"1416957"	623.246938	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+H+CF3COOH"	115.000138
"1149437"	316.670501	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+3ACN+2H"	125.094202
"1703362"	640.273485	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+NH4+CF3COOH"	132.026685
"1643387"	645.22888	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+Na+CF3COOH"	136.98208
"1577945"	661.20282	"C04931"	"Argatroban;(2R4R)-4-Methyl-1Nalpha-(3-methyl-1234-tetrahydro-8-quinolinyl)sulfonyl-L-arginyl-2-piperadinecarboxylic acid"	"C23H36N6O5S"	"508.2468"	"M+K+CF3COOH"	152.95602
"808309"	1324.8876	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M"	0
"984030"	1305.86921	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-H2O-H"	-19.01839
"77381"	882.251124	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M-3H"	-3.021828
"517550"	1323.880324	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M-3H"	-3.021828
"892555"	440.621924	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-3H"	-3.021828
"13315"	1323.880324	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M-2H"	-2.014552
"452149"	1986.324124	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M-2H"	-2.014552
"827764"	661.436524	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-2H"	-2.014552
"84476"	2648.767924	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M-H"	-1.007276
"528411"	3973.655524	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M-H"	-1.007276
"897465"	1323.880324	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-H"	-1.007276
"57312"	2665.794471	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M-2H+NH4"	16.019271
"494684"	3990.682071	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M-2H+NH4"	16.019271
"869206"	1340.906871	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-2H+NH4"	16.019271
"32732"	2670.749866	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M-2H+Na"	20.974666
"478856"	3995.637466	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M-2H+Na"	20.974666
"850461"	1345.862266	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-2H+Na"	20.974666
"1619264"	1345.862266	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Na-2H"	20.974666
"97616"	1341.868663	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M-H+Cl"	33.962126
"544104"	2004.312463	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M-H+Cl"	33.962126
"936890"	679.424863	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-H+Cl"	33.962126
"273259"	2684.744602	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+Cl"	34.969402
"668230"	4009.632202	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+Cl"	34.969402
"1284649"	1359.857002	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Cl"	34.969402
"26112"	2686.723806	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M-2H+K"	36.948606
"465671"	4011.611406	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M-2H+K"	36.948606
"843474"	1361.836206	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-2H+K"	36.948606
"1564772"	1361.836206	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+K-2H"	36.948606
"951566"	1369.885794	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-H+HCOOH"	44.998194
"364313"	2694.773401	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+HCOOH-H"	44.998201
"354756"	2708.789051	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+Hac-H"	59.013851
"1501041"	1383.901451	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Hac-H"	59.013851
"970772"	1391.867751	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-H+NaCOOH"	66.980151
"115669"	1359.857002	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+2Cl"	69.938804
"553043"	2022.300802	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+2Cl"	69.938804
"1026582"	697.413202	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2Cl"	69.938804
"1253087"	1403.806485	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Br"	78.918885
"1311525"	1405.862472	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Cl+HCOOH"	80.974872
"1327928"	1427.844429	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Cl+NaCOOH"	102.956829
"924091"	1437.873186	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M-H+CF3COOH"	112.985586
"1300072"	1473.849864	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Cl+CF3COOH"	148.962264
"1378237"	1289.874924	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H-2H2O"	-35.012676
"1390264"	1307.8849	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H-H2O"	-17.0027
"284117"	2650.782476	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+H"	1.007276
"679087"	3975.670076	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+H"	1.007276
"1353252"	1325.894876	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H"	1.007276
"134891"	1325.894876	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+2H"	2.014552
"567525"	1988.338676	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+2H"	2.014552
"1045449"	663.451076	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2H"	2.014552
"215172"	884.265676	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+3H"	3.021828
"655095"	1325.894876	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+3H"	3.021828
"1172129"	442.636476	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+3H"	3.021828
"435400"	2667.809023	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+NH4"	18.033823
"796031"	3992.696623	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+NH4"	18.033823
"1689445"	1342.921423	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+NH4"	18.033823
"337725"	1334.4081495	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+H+NH4"	19.041099
"731238"	1996.8519495	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+H+NH4"	19.041099
"1482875"	671.9643495	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H+NH4"	19.041099
"396088"	2672.764418	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+Na"	22.989218
"758177"	3997.652018	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+Na"	22.989218
"1606276"	1347.876818	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Na"	22.989218
"314274"	1336.885847	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+H+Na"	23.996494
"707763"	1999.329647	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+H+Na"	23.996494
"1465835"	674.442047	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H+Na"	23.996494
"1054707"	449.96379	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2H+Na"	25.00377
"1257721"	1357.921086	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+CH3OH+H"	33.033486
"380427"	2688.738358	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+K"	38.963158
"740328"	4013.625958	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+K"	38.963158
"1542380"	1363.850758	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+K"	38.963158
"298701"	1344.872817	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+H+K"	39.970434
"693068"	2007.316617	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+H+K"	39.970434
"1445681"	682.429017	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H+K"	39.970434
"235713"	2691.809026	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+ACN+H"	42.033826
"1209960"	1366.921426	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+ACN+H"	42.033826
"1208620"	683.964351	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+ACN+2H"	43.041102
"195902"	2694.74636	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+2Na-H"	44.97116
"640929"	4019.63396	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+2Na-H"	44.97116
"1141155"	1369.85876	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2Na-H"	44.97116
"187603"	1347.876818	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+2Na"	45.978436
"627533"	2010.320618	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+2Na"	45.978436
"1128604"	685.433018	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2Na"	45.978436
"1408847"	457.291104	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H+2Na"	46.985712
"1440961"	1371.900346	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H+HCOOH"	47.012746
"225188"	1352.90984	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+3H2O+2H"	56.04448
"1513613"	1385.95239	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+IsoProp+H"	61.06479
"415490"	1355.863788	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+Na+K"	61.952376
"774299"	2018.307588	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+Na+K"	61.952376
"1672453"	693.419988	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Na+K"	61.952376
"253867"	2713.790968	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+ACN+Na"	64.015768
"1228397"	1388.903368	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+ACN+Na"	64.015768
"1714370"	1388.926893	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+NH4+HCOOH"	64.039293
"1179723"	464.618418	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+3Na"	68.967654
"1650263"	1393.882288	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Na+HCOOH"	68.994688
"158299"	2726.69424	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+2K-H"	76.91904
"598589"	4051.58184	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+2K-H"	76.91904
"1086750"	1401.80664	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2K-H"	76.91904
"146851"	1363.850758	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"2M+2K"	77.926316
"591153"	2026.294558	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"3M+2K"	77.926316
"1078945"	701.406958	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2K"	77.926316
"1103040"	1403.821192	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2K+H"	78.933592
"1336386"	1403.908807	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+DMSO+H"	79.021207
"1015615"	1407.947976	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2ACN+H"	83.060376
"1529365"	1408.941608	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+IsoProp+Na+H"	84.054008
"993624"	704.477626	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+2ACN+2H"	84.067652
"1591409"	1409.856228	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+K+HCOOH"	84.968628
"1414880"	1439.887738	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+H+CF3COOH"	115.000138
"1149547"	724.990901	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+3ACN+2H"	125.094202
"1703472"	1456.914285	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+NH4+CF3COOH"	132.026685
"1643497"	1461.86968	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+Na+CF3COOH"	136.98208
"1578055"	1477.84362	"C04932"	"Lipid A disaccharide;Tetraacyldisaccharide 1-phosphate;2-N3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(1-6)-2-N3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate;23-Bis(3R)-3-hydroxytetradecanoyl-beta-D-glucosaminyl-(1-6)-23-bis(3R)-3-hydroxytetradecanoyl-alpha-D-glucosaminyl 1-phosphate"	"C68H129N2O20P"	"1324.8876"	"M+K+CF3COOH"	152.95602
"808428"	260.0297	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M"	0
"985248"	241.01131	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"77625"	172.345857333333	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"517428"	259.022424	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"891948"	85.6692906666667	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"11618"	259.022424	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"443526"	389.037274	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"824609"	129.007574	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"83505"	519.052124	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"531940"	779.081824	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"906337"	259.022424	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"58524"	536.078671	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"495896"	796.108371	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"879416"	276.048971	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"39410"	541.034066	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"482250"	801.063766	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"861150"	281.004366	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1631776"	281.004366	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"103931"	277.010763	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"547504"	407.025613	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"940289"	146.995913	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"272290"	555.028802	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"660171"	815.058502	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1282583"	294.999102	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"19672"	557.008006	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"469076"	817.037706	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"843598"	296.978306	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1562712"	296.978306	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"950594"	305.027894	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"368808"	565.057601	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"350505"	579.073251	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1498242"	319.043551	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"969065"	327.009851	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"113234"	294.999102	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"556439"	425.013952	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1031799"	164.984252	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1245914"	338.948585	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1310550"	341.004572	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1325858"	362.986529	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"919108"	373.015286	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1292536"	408.991964	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1372884"	225.017024	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1388190"	243.027	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"283867"	521.066676	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"683579"	781.096376	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1353367"	261.036976	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"128440"	261.036976	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"575661"	391.051826	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1038995"	131.022126	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"205315"	174.360409333333	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"646209"	261.036976	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1164580"	87.6838426666667	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"429313"	538.093223	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"794318"	798.122923	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1691742"	278.063523	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"333824"	269.5502495	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"726609"	399.5650995	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1480792"	139.5353995	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"395099"	543.048618	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"757190"	803.078318	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1607476"	283.018918	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"318606"	272.027947	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"707993"	402.042797	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1464854"	142.013097	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054084"	95.0111566666667	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1261961"	293.063186	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"377659"	559.022558	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"742623"	819.052258	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1543582"	298.992858	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"300760"	280.014917	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"696463"	410.029767	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1452472"	150.000067	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"247274"	562.093226	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1222902"	302.063526	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1207150"	151.535401	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"202454"	565.03056	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"642378"	825.06026	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1143085"	305.00086	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"184189"	283.018918	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"624112"	413.033768	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1126524"	153.004068	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1405677"	102.338470666667	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1433783"	307.042446	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"232960"	288.05194	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1514463"	321.09449	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"416335"	291.005888	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"776237"	421.020738	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1669285"	160.991038	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"256169"	584.075168	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1229974"	324.045468	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1718860"	324.068993	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1183488"	109.665784666667	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1655933"	329.024388	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"165711"	596.97844	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"604543"	857.00814	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1086866"	336.94874	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"145869"	298.992858	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"582514"	429.007708	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1069455"	168.978008	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1102424"	338.963292	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1336981"	339.050907	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1010258"	343.090076	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1526198"	344.083708	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"997018"	172.048676	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1590431"	344.998328	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1416094"	375.029838	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1149662"	192.561951	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1699216"	392.056385	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1640335"	397.01178	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1581454"	412.98572	"C05001"	"Fructose 1-phosphate(pyranose)"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"816401"	180.0634	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M"	0
"983169"	161.04501	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"68130"	119.034990666667	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"512067"	179.056124	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"893153"	59.0138573333333	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"12822"	179.056124	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444729"	269.087824	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"822532"	89.024424	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"82522"	359.119524	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"527552"	539.182924	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"905354"	179.056124	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"56447"	376.146071	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"496008"	556.209471	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877459"	196.082671	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"40613"	381.101466	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"484547"	561.164866	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"862719"	201.038066	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1632493"	201.038066	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"105135"	197.044463	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"544698"	287.076163	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"938212"	107.012763	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"269120"	395.096202	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"661169"	575.159602	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1277226"	215.032802	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"15834"	397.075406	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"457156"	577.138806	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"843706"	217.012006	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1562822"	217.012006	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"952890"	225.061594	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"365639"	405.125001	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"353896"	419.140651	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1498352"	239.077251	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"972091"	247.043551	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"119179"	215.032802	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"556549"	305.064502	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1034096"	125.001102	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1249304"	258.982285	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1309567"	261.038272	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1327062"	283.020229	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919219"	293.048986	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1291553"	329.025664	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1370808"	145.050724	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1390488"	163.0607	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"289081"	361.134076	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"684783"	541.197476	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1358946"	181.070676	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"131835"	181.070676	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"576865"	271.102376	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1037768"	91.038976	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"205669"	121.049542666667	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"646565"	181.070676	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1165419"	61.0284093333333	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"432340"	378.160623	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791148"	558.224023	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1691853"	198.097223	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"331745"	189.5839495	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"726718"	279.6156495	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1481268"	99.5522495	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"394845"	383.116018	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"756328"	563.179418	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1605399"	203.052618	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"316892"	192.061647	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"707975"	282.093347	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1464963"	102.029947	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1054556"	68.3557233333333	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1259883"	213.096886	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"379554"	399.089958	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"744920"	579.153358	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1545880"	219.026558	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"304151"	200.048617	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"697668"	290.080317	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1452582"	110.016917	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"247384"	402.160626	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1223984"	222.097226	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1208353"	111.552251	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"202443"	405.09796	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"641760"	585.16136	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1145631"	225.03456	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"181385"	203.052618	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"620943"	293.084318	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1125542"	113.020918	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1406151"	75.6830373333333	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1435716"	227.076146	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231976"	208.08564	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1515666"	241.12819	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"413161"	211.039588	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"771604"	301.071288	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1667206"	121.007888	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"253362"	424.142568	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1229354"	244.079168	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1716053"	244.102693	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1183232"	83.0103513333333	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656044"	249.058088	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"159625"	437.04584	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"604653"	617.10924	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1088072"	256.98244	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"145982"	219.026558	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"588820"	309.058258	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1069322"	128.994858	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1102171"	258.996992	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1339649"	259.084607	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1009274"	263.123776	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1532866"	264.117408	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"993848"	132.065526	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1594913"	265.032028	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1418387"	295.063538	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1149405"	152.578801	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1699326"	312.090085	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1640445"	317.04548	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1581564"	333.01942	"C05003"	"D-Fructose;D-arabino-Hex-2-ulopyranose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"808650"	268.1535	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M"	0
"987655"	249.13511	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-H2O-H"	-19.01839
"76991"	177.761724	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M-3H"	-3.021828
"514369"	267.146224	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M-3H"	-3.021828
"895009"	88.377224	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-3H"	-3.021828
"5280"	267.146224	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M-2H"	-2.014552
"449214"	401.222974	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M-2H"	-2.014552
"823734"	133.069474	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-2H"	-2.014552
"85912"	535.299724	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M-H"	-1.007276
"524379"	803.453224	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M-H"	-1.007276
"905464"	267.146224	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-H"	-1.007276
"60931"	552.326271	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M-2H+NH4"	16.019271
"502644"	820.479771	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M-2H+NH4"	16.019271
"872823"	284.172771	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-2H+NH4"	16.019271
"44737"	557.281666	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M-2H+Na"	20.974666
"485268"	825.435166	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M-2H+Na"	20.974666
"861367"	289.128166	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-2H+Na"	20.974666
"1631632"	289.128166	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Na-2H"	20.974666
"105247"	285.134563	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M-H+Cl"	33.962126
"542625"	419.211313	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M-H+Cl"	33.962126
"936139"	151.057813	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-H+Cl"	33.962126
"269594"	571.276402	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+Cl"	34.969402
"669307"	839.429902	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+Cl"	34.969402
"1275514"	303.122902	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Cl"	34.969402
"23174"	573.255606	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M-2H+K"	36.948606
"461641"	841.409106	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M-2H+K"	36.948606
"838350"	305.102106	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-2H+K"	36.948606
"1558921"	305.102106	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+K-2H"	36.948606
"948627"	313.151694	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-H+HCOOH"	44.998194
"372310"	581.305201	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+HCOOH-H"	44.998201
"349632"	595.320851	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+Hac-H"	59.013851
"1499558"	327.167351	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Hac-H"	59.013851
"963821"	335.133651	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-H+NaCOOH"	66.980151
"115276"	303.122902	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+2Cl"	69.938804
"557756"	437.199652	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+2Cl"	69.938804
"1035547"	169.046152	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2Cl"	69.938804
"1247228"	347.072385	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Br"	78.918885
"1315147"	349.128372	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Cl+HCOOH"	80.974872
"1330455"	371.110329	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Cl+NaCOOH"	102.956829
"914225"	381.139086	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M-H+CF3COOH"	112.985586
"1289349"	417.115764	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Cl+CF3COOH"	148.962264
"1372008"	233.140824	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H-2H2O"	-35.012676
"1386590"	251.1508	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H-H2O"	-17.0027
"285182"	537.314276	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+H"	1.007276
"682707"	805.467776	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+H"	1.007276
"1353953"	269.160776	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H"	1.007276
"133040"	269.160776	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+2H"	2.014552
"567500"	403.237526	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+2H"	2.014552
"1041772"	135.084026	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2H"	2.014552
"209307"	179.776276	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+3H"	3.021828
"648136"	269.160776	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+3H"	3.021828
"1163707"	90.391776	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+3H"	3.021828
"428073"	554.340823	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+NH4"	18.033823
"794539"	822.494323	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+NH4"	18.033823
"1690869"	286.187323	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+NH4"	18.033823
"332585"	277.6740495	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+H+NH4"	19.041099
"723786"	411.7507995	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+H+NH4"	19.041099
"1478456"	143.5972995	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H+NH4"	19.041099
"393127"	559.296218	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+Na"	22.989218
"754728"	827.449718	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+Na"	22.989218
"1603432"	291.142718	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Na"	22.989218
"314566"	280.151747	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+H+Na"	23.996494
"710160"	414.228497	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+H+Na"	23.996494
"1461789"	146.074997	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H+Na"	23.996494
"1053819"	97.71909	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2H+Na"	25.00377
"1258900"	301.186986	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+CH3OH+H"	33.033486
"384041"	575.270158	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+K"	38.963158
"745035"	843.423658	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+K"	38.963158
"1543078"	307.116658	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+K"	38.963158
"305356"	288.138717	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+H+K"	39.970434
"698873"	422.215467	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+H+K"	39.970434
"1455976"	154.061967	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H+K"	39.970434
"250049"	578.340826	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+ACN+H"	42.033826
"1224824"	310.187326	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+ACN+H"	42.033826
"1208463"	155.597301	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+ACN+2H"	43.041102
"203523"	581.27816	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+2Na-H"	44.97116
"643695"	849.43166	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+2Na-H"	44.97116
"1142579"	313.12466	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2Na-H"	44.97116
"186595"	291.142718	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+2Na"	45.978436
"625427"	425.219468	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+2Na"	45.978436
"1130755"	157.065968	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2Na"	45.978436
"1408084"	105.046404	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H+2Na"	46.985712
"1438016"	315.166246	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H+HCOOH"	47.012746
"228805"	296.17574	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+3H2O+2H"	56.04448
"1512495"	329.21829	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+IsoProp+H"	61.06479
"412545"	299.129688	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+Na+K"	61.952376
"771352"	433.206438	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+Na+K"	61.952376
"1669505"	165.052938	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Na+K"	61.952376
"254206"	600.322768	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+ACN+Na"	64.015768
"1229830"	332.169268	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+ACN+Na"	64.015768
"1715798"	332.192793	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+NH4+HCOOH"	64.039293
"1182251"	112.373718	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+3Na"	68.967654
"1653966"	337.148188	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Na+HCOOH"	68.994688
"160829"	613.22604	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+2K-H"	76.91904
"598687"	881.37954	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+2K-H"	76.91904
"1088182"	345.07254	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2K-H"	76.91904
"143904"	307.116658	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"2M+2K"	77.926316
"582245"	441.193408	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"3M+2K"	77.926316
"1069432"	173.039908	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2K"	77.926316
"1101308"	347.087092	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2K+H"	78.933592
"1336472"	347.174707	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+DMSO+H"	79.021207
"1006954"	351.213876	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2ACN+H"	83.060376
"1526053"	352.207508	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+IsoProp+Na+H"	84.054008
"991772"	176.110576	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+2ACN+2H"	84.067652
"1587370"	353.122128	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+K+HCOOH"	84.968628
"1416315"	383.153638	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+H+CF3COOH"	115.000138
"1152071"	196.623851	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+3ACN+2H"	125.094202
"1699436"	400.180185	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+NH4+CF3COOH"	132.026685
"1647115"	405.13558	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+Na+CF3COOH"	136.98208
"1578396"	421.10952	"C05010"	"Histidylleucine;N-L-Histidyl-L-leucin;His-Leu"	"C12H20N4O3"	"268.1535"	"M+K+CF3COOH"	152.95602
"808760"	387.2198	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M"	0
"983389"	368.20141	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H2O-H"	-19.01839
"77101"	257.139257333333	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-3H"	-3.021828
"517396"	386.212524	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-3H"	-3.021828
"892284"	128.065990666667	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-3H"	-3.021828
"10857"	386.212524	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H"	-2.014552
"447138"	579.822424	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H"	-2.014552
"820565"	192.602624	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H"	-2.014552
"88210"	773.432324	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-H"	-1.007276
"528864"	1160.652124	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-H"	-1.007276
"902294"	386.212524	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H"	-1.007276
"59948"	790.458871	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H+NH4"	16.019271
"496226"	1177.678671	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H+NH4"	16.019271
"872935"	403.239071	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H+NH4"	16.019271
"40835"	795.414266	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H+Na"	20.974666
"481489"	1182.634066	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H+Na"	20.974666
"860384"	408.194466	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H+Na"	20.974666
"1628825"	408.194466	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na-2H"	20.974666
"108273"	404.200863	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-H+Cl"	33.962126
"543828"	597.810763	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-H+Cl"	33.962126
"937342"	210.590963	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+Cl"	33.962126
"274808"	809.409002	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Cl"	34.969402
"662001"	1196.628802	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Cl"	34.969402
"1279635"	422.189202	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl"	34.969402
"22191"	811.388206	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H+K"	36.948606
"460659"	1198.608006	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H+K"	36.948606
"835179"	424.168406	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H+K"	36.948606
"1561947"	424.168406	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K-2H"	36.948606
"948007"	432.217994	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+HCOOH"	44.998194
"374606"	819.437801	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+HCOOH-H"	44.998201
"353021"	833.453451	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Hac-H"	59.013851
"1499668"	446.233651	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Hac-H"	59.013851
"968301"	454.199951	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+NaCOOH"	66.980151
"115386"	422.189202	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Cl"	69.938804
"561145"	615.799102	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Cl"	69.938804
"1028851"	228.579302	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Cl"	69.938804
"1243691"	466.138685	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Br"	78.918885
"1310883"	468.194672	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl+HCOOH"	80.974872
"1329473"	490.176629	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl+NaCOOH"	102.956829
"917618"	500.205386	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+CF3COOH"	112.985586
"1292136"	536.182064	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl+CF3COOH"	148.962264
"1376494"	352.207124	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H-2H2O"	-35.012676
"1385606"	370.2171	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H-H2O"	-17.0027
"291489"	775.446876	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H"	1.007276
"681723"	1162.666676	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H"	1.007276
"1356979"	388.227076	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H"	1.007276
"135337"	388.227076	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2H"	2.014552
"567245"	581.836976	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2H"	2.014552
"1043705"	194.617176	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2H"	2.014552
"209417"	259.153809333333	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+3H"	3.021828
"647154"	388.227076	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+3H"	3.021828
"1163452"	130.080542666667	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3H"	3.021828
"431467"	792.473423	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+NH4"	18.033823
"796837"	1179.693223	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+NH4"	18.033823
"1686607"	405.253623	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4"	18.033823
"332330"	396.7403495	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+NH4"	19.041099
"724023"	590.3502495	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+NH4"	19.041099
"1477717"	203.1304495	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+NH4"	19.041099
"393564"	797.428818	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Na"	22.989218
"755454"	1184.648618	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Na"	22.989218
"1603185"	410.209018	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na"	22.989218
"314918"	399.218047	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+Na"	23.996494
"707713"	592.827947	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+Na"	23.996494
"1462384"	205.608147	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+Na"	23.996494
"1055146"	137.407856666667	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2H+Na"	25.00377
"1259011"	420.253286	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+CH3OH+H"	33.033486
"381963"	813.402758	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+K"	38.963158
"742958"	1200.622558	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+K"	38.963158
"1547198"	426.182958	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K"	38.963158
"308385"	407.205017	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+K"	39.970434
"704089"	600.814917	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+K"	39.970434
"1459978"	213.595117	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+K"	39.970434
"248700"	816.473426	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+ACN+H"	42.033826
"1225380"	429.253626	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+H"	42.033826
"1208939"	215.130451	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+2H"	43.041102
"204120"	819.41076	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Na-H"	44.97116
"644129"	1206.63056	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Na-H"	44.97116
"1143782"	432.19096	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Na-H"	44.97116
"187800"	410.209018	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Na"	45.978436
"627969"	603.818918	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Na"	45.978436
"1130865"	216.599118	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Na"	45.978436
"1412567"	144.735170666667	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+2Na"	46.985712
"1436301"	434.232546	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+HCOOH"	47.012746
"231102"	415.24204	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+3H2O+2H"	56.04448
"1512606"	448.28459	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+IsoProp+H"	61.06479
"413019"	418.195988	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Na+K"	61.952376
"773649"	611.805888	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Na+K"	61.952376
"1670708"	224.586088	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+K"	61.952376
"255046"	838.455368	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+ACN+Na"	64.015768
"1227752"	451.235568	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+Na"	64.015768
"1715908"	451.259093	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4+HCOOH"	64.039293
"1182358"	152.062484666667	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3Na"	68.967654
"1657355"	456.214488	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+HCOOH"	68.994688
"160939"	851.35864	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2K-H"	76.91904
"603779"	1238.57844	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2K-H"	76.91904
"1088292"	464.13884	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K-H"	76.91904
"147294"	426.182958	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2K"	77.926316
"582233"	619.792858	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2K"	77.926316
"1069539"	232.573058	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K"	77.926316
"1100396"	466.153392	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K+H"	78.933592
"1336584"	466.241007	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+DMSO+H"	79.021207
"1006455"	470.280176	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2ACN+H"	83.060376
"1525304"	471.273808	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+IsoProp+Na+H"	84.054008
"992975"	235.643726	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2ACN+2H"	84.067652
"1591853"	472.188428	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K+HCOOH"	84.968628
"1417518"	502.219938	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+CF3COOH"	115.000138
"1152181"	256.157001	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3ACN+2H"	125.094202
"1699546"	519.246485	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4+CF3COOH"	132.026685
"1647225"	524.20188	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+CF3COOH"	136.98208
"1578506"	540.17582	"C05011"	"Hydroxytamoxifen;4-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K+CF3COOH"	152.95602
"808870"	161.0688	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M"	0
"983499"	142.05041	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"76485"	106.371924	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"517869"	160.061524	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"892393"	52.682324	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"8781"	160.061524	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"447247"	240.595924	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"819946"	79.527124	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"86133"	321.130324	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"526788"	482.199124	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"904588"	160.061524	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"57871"	338.156871	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"493056"	499.225671	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"873045"	177.088071	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"40945"	343.112266	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"479412"	504.181066	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"863047"	182.043466	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1631125"	182.043466	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"107654"	178.049863	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"541751"	258.584263	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"937452"	97.515463	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"276011"	357.107002	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"660653"	518.175802	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1279745"	196.038202	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"20115"	359.086206	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"462956"	520.155006	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"837842"	198.017406	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1562058"	198.017406	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"949941"	206.066994	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"373624"	367.135801	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"351308"	381.151451	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1500871"	220.082651	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"968411"	228.048951	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"115496"	196.038202	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"557976"	276.572602	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1035159"	115.503802	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1247450"	239.987685	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1314271"	242.043672	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1329581"	264.025629	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"921738"	274.054386	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1291518"	310.031064	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1373325"	126.056124	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1386081"	144.0661	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"288683"	323.144876	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"679282"	484.213676	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1355996"	162.076076	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"132165"	162.076076	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"568085"	242.610476	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1046001"	81.541676	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"209527"	108.386476	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"647628"	162.076076	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1164415"	54.696876	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"431577"	340.171423	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"793666"	501.240223	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1686717"	179.102623	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"332807"	170.5893495	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"723769"	251.1237495	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1478318"	90.0549495	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"393839"	345.126818	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"755807"	506.195618	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1603905"	184.058018	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"314543"	173.067047	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"707581"	253.601447	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1462614"	92.532647	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1054645"	62.02419	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1260215"	194.102286	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"383166"	361.100758	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"741975"	522.169558	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1545121"	200.031958	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"309954"	181.054017	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"700189"	261.588417	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1459478"	100.519617	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"249539"	364.171426	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1224435"	203.102626	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1206860"	102.054951	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"203623"	367.10876	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"644228"	528.17756	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1147042"	206.03996	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"188153"	184.058018	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"627958"	264.592418	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1128788"	103.523618	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1409397"	69.351504	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1434953"	208.081546	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"231213"	189.09104	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1512716"	222.13359	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"412036"	192.044988	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"772302"	272.579388	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1668637"	111.510588	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"255157"	386.153368	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1228227"	225.084568	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1716750"	225.108093	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1184292"	76.678818	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1652001"	230.063488	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"162143"	399.05664	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"601703"	560.12544	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1091682"	237.98784	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"146311"	200.031958	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"581613"	280.566358	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1069530"	119.497558	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1100550"	240.002392	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1336941"	240.090007	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1006683"	244.129176	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1524688"	245.122808	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"991991"	122.568226	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1589409"	246.037428	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1417626"	276.068938	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1155571"	143.081501	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1702937"	293.095485	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1640775"	298.05088	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1578616"	314.02482	"C05016"	"L-Glutamate methylester"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"807887"	221.0899	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M"	0
"982516"	202.07151	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"76229"	146.385990666667	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"517250"	220.082624	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"891410"	72.6893573333333	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"9984"	220.082624	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"447357"	330.627574	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"825160"	109.537674	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"82963"	441.172524	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"522523"	662.262424	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"902512"	220.082624	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"51420"	458.199071	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"493166"	679.288971	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"870968"	237.109171	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"41056"	463.154466	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"478429"	684.244366	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"859513"	242.064566	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1631964"	242.064566	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"106671"	238.070963	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"541861"	348.615913	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"938656"	127.526013	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"276121"	477.149202	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"660113"	698.239102	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1283135"	256.059302	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"20225"	479.128406	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"465253"	700.218306	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"838682"	258.038506	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1565448"	258.038506	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"953331"	266.088094	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"374827"	487.178001	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"351054"	501.193651	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1496608"	280.103751	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"970708"	288.070051	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"115242"	256.059302	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"558086"	366.604252	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1033446"	145.514352	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1247560"	300.008785	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1314381"	302.064772	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1326411"	324.046729	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"919661"	334.075486	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1291629"	370.052164	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1373436"	186.077224	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1385100"	204.0872	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"287335"	443.187076	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"684132"	664.276976	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1359387"	222.097176	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"136649"	222.097176	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"567467"	332.642126	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1046111"	111.552226	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"208178"	148.400542666667	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"647735"	222.097176	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1164404"	74.7039093333333	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"431687"	460.213623	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"793778"	681.303523	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1687920"	239.123723	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"337291"	230.6104495	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"725337"	341.1553995	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1480251"	120.0654995	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"395650"	465.169018	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"759927"	686.258918	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1604747"	244.079118	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"314902"	233.088147	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"707444"	343.633097	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1462238"	122.543197	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1053174"	82.0312233333333	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1257407"	254.123386	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"379996"	481.142958	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"742084"	702.232858	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1548511"	260.053058	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"310065"	241.075117	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"701393"	351.620067	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1456308"	130.530167	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"246369"	484.213626	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1221629"	263.123726	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1209528"	132.065501	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"202882"	487.15096	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"643787"	708.24086	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1144733"	266.06106	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"187171"	244.079118	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"626733"	354.624068	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1124888"	133.534168	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1409507"	89.3585373333333	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1433605"	268.102646	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"226949"	249.11214	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1511733"	282.15469	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"411418"	252.066088	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"773504"	362.611038	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1672024"	141.521138	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"254173"	506.195568	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1227974"	285.105668	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1717222"	285.129193	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1182579"	96.6858513333333	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1657578"	290.084588	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"160066"	519.09884	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"605093"	740.18874	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1090698"	298.00894	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"147513"	260.053058	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"583063"	370.598008	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1070860"	149.508108	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1101272"	300.023492	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1338268"	300.111107	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1006184"	304.150276	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1524285"	305.143908	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"992465"	152.578776	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1589521"	306.058528	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1415912"	336.090038	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1155681"	173.092051	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1703047"	353.116585	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1641978"	358.07198	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1578726"	374.04592	"C05021"	"N-Acetyl-beta-D-galactosamine"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"816261"	151.0858	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M"	0
"985906"	132.06741	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-H2O-H"	-19.01839
"77435"	99.7165906666667	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M-3H"	-3.021828
"516271"	150.078524	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M-3H"	-3.021828
"889332"	49.3546573333333	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-3H"	-3.021828
"10095"	150.078524	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M-2H"	-2.014552
"446374"	225.621424	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M-2H"	-2.014552
"825270"	74.535624	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-2H"	-2.014552
"88541"	301.164324	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M-H"	-1.007276
"530289"	452.250124	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M-H"	-1.007276
"900436"	150.078524	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-H"	-1.007276
"56998"	318.190871	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M-2H+NH4"	16.019271
"496556"	469.276671	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M-2H+NH4"	16.019271
"874359"	167.105071	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-2H+NH4"	16.019271
"41166"	323.146266	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M-2H+Na"	20.974666
"480730"	474.232066	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M-2H+Na"	20.974666
"860356"	172.060466	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-2H+Na"	20.974666
"1633048"	172.060466	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Na-2H"	20.974666
"107875"	168.066863	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M-H+Cl"	33.962126
"540879"	243.609763	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M-H+Cl"	33.962126
"937674"	92.523963	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-H+Cl"	33.962126
"272951"	337.141002	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+Cl"	34.969402
"666466"	488.226802	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+Cl"	34.969402
"1283245"	186.055202	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Cl"	34.969402
"25804"	339.120206	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M-2H+K"	36.948606
"459897"	490.206006	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M-2H+K"	36.948606
"838061"	188.034406	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-2H+K"	36.948606
"1562278"	188.034406	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+K-2H"	36.948606
"953077"	196.083994	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-H+HCOOH"	44.998194
"366187"	347.169801	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+HCOOH-H"	44.998201
"347519"	361.185451	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+Hac-H"	59.013851
"1502185"	210.099651	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Hac-H"	59.013851
"967543"	218.065951	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-H+NaCOOH"	66.980151
"111099"	186.055202	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+2Cl"	69.938804
"561477"	261.598102	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+2Cl"	69.938804
"1024082"	110.512302	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2Cl"	69.938804
"1244391"	230.004685	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Br"	78.918885
"1309026"	232.060672	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Cl+HCOOH"	80.974872
"1323241"	254.042629	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Cl+NaCOOH"	102.956829
"920865"	264.071386	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M-H+CF3COOH"	112.985586
"1296844"	300.048064	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Cl+CF3COOH"	148.962264
"1373547"	116.073124	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H-2H2O"	-35.012676
"1391044"	134.0831	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H-H2O"	-17.0027
"291458"	303.178876	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+H"	1.007276
"684245"	454.264676	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+H"	1.007276
"1358408"	152.093076	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H"	1.007276
"135305"	152.093076	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+2H"	2.014552
"566849"	227.635976	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+2H"	2.014552
"1047314"	76.550176	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2H"	2.014552
"206831"	101.731142666667	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+3H"	3.021828
"649306"	152.093076	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+3H"	3.021828
"1168526"	51.3692093333333	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+3H"	3.021828
"435080"	320.205423	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+NH4"	18.033823
"794984"	471.291223	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+NH4"	18.033823
"1690220"	169.119623	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+NH4"	18.033823
"342870"	160.6063495	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+H+NH4"	19.041099
"726544"	236.1492495	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+H+NH4"	19.041099
"1483644"	85.0634495	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H+NH4"	19.041099
"397950"	325.160818	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+Na"	22.989218
"760039"	476.246618	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+Na"	22.989218
"1612511"	174.075018	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Na"	22.989218
"315987"	163.084047	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+H+Na"	23.996494
"711689"	238.626947	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+H+Na"	23.996494
"1464417"	87.541147	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H+Na"	23.996494
"1057663"	58.6965233333333	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2H+Na"	25.00377
"1262621"	184.119286	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+CH3OH+H"	33.033486
"385575"	341.134758	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+K"	38.963158
"746569"	492.220558	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+K"	38.963158
"1551542"	190.048958	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+K"	38.963158
"306896"	171.071017	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+H+K"	39.970434
"702598"	246.613917	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+H+K"	39.970434
"1456420"	95.528117	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H+K"	39.970434
"250494"	344.205426	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+ACN+H"	42.033826
"1225353"	193.119626	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+ACN+H"	42.033826
"1209401"	97.063451	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+ACN+2H"	43.041102
"203240"	347.14276	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+2Na-H"	44.97116
"643775"	498.22856	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+2Na-H"	44.97116
"1145943"	196.05696	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2Na-H"	44.97116
"187774"	174.075018	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+2Na"	45.978436
"623681"	249.617918	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+2Na"	45.978436
"1130109"	98.532118	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2Na"	45.978436
"1409618"	66.0238373333333	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H+2Na"	46.985712
"1439547"	198.098546	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H+HCOOH"	47.012746
"228155"	179.10804	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+3H2O+2H"	56.04448
"1512936"	212.15059	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+IsoProp+H"	61.06479
"412621"	182.061988	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+Na+K"	61.952376
"773620"	257.604888	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+Na+K"	61.952376
"1671045"	106.519088	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Na+K"	61.952376
"255378"	366.187368	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+ACN+Na"	64.015768
"1231367"	215.101568	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+ACN+Na"	64.015768
"1719524"	215.125093	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+NH4+HCOOH"	64.039293
"1185608"	73.3511513333333	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+3Na"	68.967654
"1655503"	220.080488	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Na+HCOOH"	68.994688
"165644"	379.09064	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+2K-H"	76.91904
"599002"	530.17644	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+2K-H"	76.91904
"1087527"	228.00484	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2K-H"	76.91904
"149084"	190.048958	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"2M+2K"	77.926316
"585000"	265.591858	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"3M+2K"	77.926316
"1070120"	114.506058	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2K"	77.926316
"1100124"	230.019392	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2K+H"	78.933592
"1336921"	230.107007	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+DMSO+H"	79.021207
"1008735"	234.146176	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2ACN+H"	83.060376
"1525767"	235.139808	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+IsoProp+Na+H"	84.054008
"992214"	117.576726	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+2ACN+2H"	84.067652
"1589268"	236.054428	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+K+HCOOH"	84.968628
"1423316"	266.085938	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+H+CF3COOH"	115.000138
"1154698"	138.090001	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+3ACN+2H"	125.094202
"1709719"	283.112485	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+NH4+CF3COOH"	132.026685
"1644275"	288.06788	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+Na+CF3COOH"	136.98208
"1578836"	304.04182	"C05026"	"N3-Metyladenine"	"C6H9N5"	"151.0858"	"M+K+CF3COOH"	152.95602
"809201"	298.1933	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M"	0
"982735"	279.17491	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-H2O-H"	-19.01839
"75354"	197.788257333333	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M-3H"	-3.021828
"514918"	297.186024	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M-3H"	-3.021828
"881788"	98.3904906666667	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-3H"	-3.021828
"8017"	297.186024	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M-2H"	-2.014552
"450859"	446.282674	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M-2H"	-2.014552
"826472"	148.089374	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-2H"	-2.014552
"87559"	595.379324	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M-H"	-1.007276
"523835"	893.572624	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M-H"	-1.007276
"903825"	297.186024	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-H"	-1.007276
"53824"	612.405871	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M-2H+NH4"	16.019271
"497757"	910.599171	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M-2H+NH4"	16.019271
"872278"	314.212571	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-2H+NH4"	16.019271
"41273"	617.361266	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M-2H+Na"	20.974666
"480838"	915.554566	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M-2H+Na"	20.974666
"859734"	319.167966	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-2H+Na"	20.974666
"1631456"	319.167966	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Na-2H"	20.974666
"105798"	315.174363	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M-H+Cl"	33.962126
"538801"	464.271013	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M-H+Cl"	33.962126
"937783"	166.077713	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-H+Cl"	33.962126
"270873"	631.356002	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+Cl"	34.969402
"661107"	929.549302	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+Cl"	34.969402
"1275699"	333.162702	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Cl"	34.969402
"16432"	633.335206	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M-2H+K"	36.948606
"458912"	931.528506	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M-2H+K"	36.948606
"838900"	335.141906	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-2H+K"	36.948606
"1559107"	335.141906	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+K-2H"	36.948606
"953551"	343.191494	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-H+HCOOH"	44.998194
"369576"	641.384801	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+HCOOH-H"	44.998201
"353461"	655.400451	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+Hac-H"	59.013851
"1499015"	357.207151	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Hac-H"	59.013851
"965464"	365.173451	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-H+NaCOOH"	66.980151
"114370"	333.162702	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+2Cl"	69.938804
"561586"	482.259352	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+2Cl"	69.938804
"1030385"	184.066052	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2Cl"	69.938804
"1244496"	377.112185	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Br"	78.918885
"1306217"	379.168172	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Cl+HCOOH"	80.974872
"1328821"	401.150129	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Cl+NaCOOH"	102.956829
"915869"	411.178886	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M-H+CF3COOH"	112.985586
"1292211"	447.155564	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Cl+CF3COOH"	148.962264
"1371469"	263.180624	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H-2H2O"	-35.012676
"1390059"	281.1906	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H-H2O"	-17.0027
"288652"	597.393876	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+H"	1.007276
"677064"	895.587176	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+H"	1.007276
"1353047"	299.200576	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H"	1.007276
"127397"	299.200576	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+2H"	2.014552
"567321"	448.297226	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+2H"	2.014552
"1044144"	150.103926	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2H"	2.014552
"208764"	199.802809333333	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+3H"	3.021828
"651604"	299.200576	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+3H"	3.021828
"1173012"	100.405042666667	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+3H"	3.021828
"431913"	614.420423	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+NH4"	18.033823
"795094"	912.613723	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+NH4"	18.033823
"1687052"	316.227123	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+NH4"	18.033823
"340794"	307.7138495	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+H+NH4"	19.041099
"728839"	456.8104995	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+H+NH4"	19.041099
"1487034"	158.6171995	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H+NH4"	19.041099
"400247"	619.375818	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+Na"	22.989218
"761242"	917.569118	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+Na"	22.989218
"1608247"	321.182518	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Na"	22.989218
"321566"	310.191547	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+H+Na"	23.996494
"713987"	459.288197	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+H+Na"	23.996494
"1467808"	161.094897	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H+Na"	23.996494
"1059960"	107.732356666667	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2H+Na"	25.00377
"1263825"	331.226786	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+CH3OH+H"	33.033486
"387872"	635.349758	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+K"	38.963158
"752147"	933.543058	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+K"	38.963158
"1548736"	337.156458	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+K"	38.963158
"309192"	318.178517	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+H+K"	39.970434
"701612"	467.275167	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+H+K"	39.970434
"1458717"	169.081867	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H+K"	39.970434
"250970"	638.420426	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+ACN+H"	42.033826
"1224524"	340.227126	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+ACN+H"	42.033826
"1209389"	170.617201	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+ACN+2H"	43.041102
"203107"	641.35776	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+2Na-H"	44.97116
"643967"	939.55106	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+2Na-H"	44.97116
"1144591"	343.16446	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2Na-H"	44.97116
"186419"	321.182518	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+2Na"	45.978436
"626343"	470.279168	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+2Na"	45.978436
"1128758"	172.085868	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2Na"	45.978436
"1410827"	115.059670666667	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H+2Na"	46.985712
"1440750"	345.206046	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H+HCOOH"	47.012746
"230817"	326.21554	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+3H2O+2H"	56.04448
"1518151"	359.25809	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+IsoProp+H"	61.06479
"420025"	329.169488	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+Na+K"	61.952376
"778103"	478.266138	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+Na+K"	61.952376
"1674072"	180.072838	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Na+K"	61.952376
"258768"	660.402368	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+ACN+Na"	64.015768
"1236584"	362.209068	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+ACN+Na"	64.015768
"1723644"	362.232593	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+NH4+HCOOH"	64.039293
"1190094"	122.386984666667	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+3Na"	68.967654
"1661445"	367.187988	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Na+HCOOH"	68.994688
"166119"	673.30564	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+2K-H"	76.91904
"599842"	971.49894	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+2K-H"	76.91904
"1090916"	375.11234	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2K-H"	76.91904
"152475"	337.156458	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"2M+2K"	77.926316
"587297"	486.253108	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"3M+2K"	77.926316
"1071810"	188.059808	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2K"	77.926316
"1101861"	377.126892	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2K+H"	78.933592
"1336786"	377.214507	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+DMSO+H"	79.021207
"1007018"	381.253676	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2ACN+H"	83.060376
"1524412"	382.247308	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+IsoProp+Na+H"	84.054008
"990256"	191.130476	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+2ACN+2H"	84.067652
"1587470"	383.161928	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+K+HCOOH"	84.968628
"1416865"	413.193438	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+H+CF3COOH"	115.000138
"1153715"	211.643751	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+3ACN+2H"	125.094202
"1709829"	430.219985	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+NH4+CF3COOH"	132.026685
"1647665"	435.17538	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+Na+CF3COOH"	136.98208
"1578946"	451.14932	"C05028"	"Norethindrone;19-Norethisterone;19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one"	"C20H26O2"	"298.1933"	"M+K+CF3COOH"	152.95602
"809311"	281.1124	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M"	0
"979565"	262.09401	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-H2O-H"	-19.01839
"75464"	186.400990666667	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M-3H"	-3.021828
"516121"	280.105124	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M-3H"	-3.021828
"893926"	92.6968573333333	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-3H"	-3.021828
"8127"	280.105124	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M-2H"	-2.014552
"449875"	420.661324	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M-2H"	-2.014552
"826582"	139.548924	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-2H"	-2.014552
"83296"	561.217524	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M-H"	-1.007276
"523945"	842.329924	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M-H"	-1.007276
"903935"	280.105124	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-H"	-1.007276
"52845"	578.244071	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M-2H+NH4"	16.019271
"495681"	859.356471	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M-2H+NH4"	16.019271
"872393"	297.131671	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-2H+NH4"	16.019271
"41384"	583.199466	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M-2H+Na"	20.974666
"477668"	864.311866	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M-2H+Na"	20.974666
"858751"	302.087066	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-2H+Na"	20.974666
"1633880"	302.087066	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Na-2H"	20.974666
"107002"	298.093463	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M-H+Cl"	33.962126
"546566"	438.649663	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M-H+Cl"	33.962126
"940080"	157.537263	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-H+Cl"	33.962126
"273170"	597.194202	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+Cl"	34.969402
"666685"	878.306602	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+Cl"	34.969402
"1275809"	316.081802	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Cl"	34.969402
"17148"	599.173406	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M-2H+K"	36.948606
"461209"	880.285806	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M-2H+K"	36.948606
"835731"	318.061006	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-2H+K"	36.948606
"1562498"	318.061006	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+K-2H"	36.948606
"953661"	326.110594	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-H+HCOOH"	44.998194
"366409"	607.223001	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+HCOOH-H"	44.998201
"349199"	621.238651	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+Hac-H"	59.013851
"1499126"	340.126251	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Hac-H"	59.013851
"968855"	348.092551	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-H+NaCOOH"	66.980151
"122138"	316.081802	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+2Cl"	69.938804
"560605"	456.638002	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+2Cl"	69.938804
"1027217"	175.525602	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2Cl"	69.938804
"1245700"	360.031285	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Br"	78.918885
"1307423"	362.087272	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Cl+HCOOH"	80.974872
"1325653"	384.069229	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Cl+NaCOOH"	102.956829
"915618"	394.097986	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M-H+CF3COOH"	112.985586
"1294511"	430.074664	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Cl+CF3COOH"	148.962264
"1368298"	246.099724	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H-2H2O"	-35.012676
"1384336"	264.1097	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H-H2O"	-17.0027
"285114"	563.232076	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+H"	1.007276
"678267"	844.344476	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+H"	1.007276
"1353885"	282.119676	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H"	1.007276
"130425"	282.119676	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+2H"	2.014552
"568890"	422.675876	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+2H"	2.014552
"1042067"	141.563476	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2H"	2.014552
"211061"	188.415542666667	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+3H"	3.021828
"653904"	282.119676	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+3H"	3.021828
"1166564"	94.7114093333333	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+3H"	3.021828
"435669"	580.258623	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+NH4"	18.033823
"797027"	861.371023	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+NH4"	18.033823
"1687162"	299.146223	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+NH4"	18.033823
"343460"	290.6329495	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+H+NH4"	19.041099
"727859"	431.1891495	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+H+NH4"	19.041099
"1482771"	150.0767495	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H+NH4"	19.041099
"400359"	585.214018	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+Na"	22.989218
"760261"	866.326418	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+Na"	22.989218
"1609451"	304.101618	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Na"	22.989218
"322770"	293.110647	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+H+Na"	23.996494
"710819"	433.666847	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+H+Na"	23.996494
"1466826"	152.554447	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H+Na"	23.996494
"1061166"	102.038723333333	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2H+Na"	25.00377
"1265032"	314.145886	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+CH3OH+H"	33.033486
"383605"	601.187958	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+K"	38.963158
"748978"	882.300358	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+K"	38.963158
"1552125"	320.075558	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+K"	38.963158
"309300"	301.097617	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+H+K"	39.970434
"701721"	441.653817	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+H+K"	39.970434
"1457733"	160.541417	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H+K"	39.970434
"251200"	604.258626	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+ACN+H"	42.033826
"1225557"	323.146226	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+ACN+H"	42.033826
"1209457"	162.076751	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+ACN+2H"	43.041102
"203822"	607.19596	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+2Na-H"	44.97116
"644078"	888.30836	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+2Na-H"	44.97116
"1143972"	326.08356	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2Na-H"	44.97116
"186774"	304.101618	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+2Na"	45.978436
"627183"	444.657818	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+2Na"	45.978436
"1129963"	163.545418	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2Na"	45.978436
"1411666"	109.366037333333	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H+2Na"	46.985712
"1440861"	328.125146	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H+HCOOH"	47.012746
"232019"	309.13464	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+3H2O+2H"	56.04448
"1516437"	342.17719	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+IsoProp+H"	61.06479
"417216"	312.088588	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+Na+K"	61.952376
"776026"	452.644788	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+Na+K"	61.952376
"1675278"	171.532388	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Na+K"	61.952376
"255964"	626.240568	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+ACN+Na"	64.015768
"1233772"	345.128168	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+ACN+Na"	64.015768
"1720474"	345.151693	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+NH4+HCOOH"	64.039293
"1189476"	116.693351333333	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+3Na"	68.967654
"1661191"	350.107088	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Na+HCOOH"	68.994688
"169875"	639.14384	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+2K-H"	76.91904
"604329"	920.25624	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+2K-H"	76.91904
"1095039"	358.03144	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2K-H"	76.91904
"145660"	320.075558	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"2M+2K"	77.926316
"584128"	460.631758	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"3M+2K"	77.926316
"1070096"	179.519358	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2K"	77.926316
"1102091"	360.045992	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2K+H"	78.933592
"1335881"	360.133607	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+DMSO+H"	79.021207
"1007616"	364.172776	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2ACN+H"	83.060376
"1525375"	365.166408	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+IsoProp+Na+H"	84.054008
"993526"	182.590026	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+2ACN+2H"	84.067652
"1587217"	366.081028	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+K+HCOOH"	84.968628
"1421350"	396.112538	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+H+CF3COOH"	115.000138
"1152731"	203.103301	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+3ACN+2H"	125.094202
"1709939"	413.139085	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+NH4+CF3COOH"	132.026685
"1647775"	418.09448	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+Na+CF3COOH"	136.98208
"1579056"	434.06842	"C05031"	"O6-Methyl-2-deoxyguanosine"	"C11H15N5O4"	"281.1124"	"M+K+CF3COOH"	152.95602
"806139"	181.0504	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M"	0
"982955"	162.03201	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-H2O-H"	-19.01839
"75574"	119.692990666667	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M-3H"	-3.021828
"512949"	180.043124	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M-3H"	-3.021828
"891849"	59.3428573333333	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-3H"	-3.021828
"8237"	180.043124	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M-2H"	-2.014552
"448892"	270.568324	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M-2H"	-2.014552
"826692"	89.517924	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-2H"	-2.014552
"86681"	361.093524	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M-H"	-1.007276
"526245"	542.143924	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M-H"	-1.007276
"901856"	180.043124	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-H"	-1.007276
"52951"	378.120071	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M-2H+NH4"	16.019271
"495797"	559.170471	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M-2H+NH4"	16.019271
"870318"	197.069671	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-2H+NH4"	16.019271
"41130"	383.075466	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M-2H+Na"	20.974666
"481061"	564.125866	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M-2H+Na"	20.974666
"862144"	202.025066	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-2H+Na"	20.974666
"1631679"	202.025066	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Na-2H"	20.974666
"109301"	198.031463	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M-H+Cl"	33.962126
"544488"	288.556663	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M-H+Cl"	33.962126
"935817"	107.506263	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-H+Cl"	33.962126
"273281"	397.070202	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+Cl"	34.969402
"670075"	578.120602	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+Cl"	34.969402
"1275919"	216.019802	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Cl"	34.969402
"16654"	399.049406	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M-2H+K"	36.948606
"456089"	580.099806	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M-2H+K"	36.948606
"833652"	217.999006	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-2H+K"	36.948606
"1556048"	217.999006	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+K-2H"	36.948606
"948305"	226.048594	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-H+HCOOH"	44.998194
"366518"	407.099001	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+HCOOH-H"	44.998201
"349308"	421.114651	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+Hac-H"	59.013851
"1495956"	240.064251	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Hac-H"	59.013851
"968965"	248.030551	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-H+NaCOOH"	66.980151
"121154"	216.019802	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+2Cl"	69.938804
"558528"	306.545002	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+2Cl"	69.938804
"1027328"	125.494602	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2Cl"	69.938804
"1251278"	259.969285	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Br"	78.918885
"1311544"	262.025272	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Cl+HCOOH"	80.974872
"1325763"	284.007229	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Cl+NaCOOH"	102.956829
"915000"	294.035986	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M-H+CF3COOH"	112.985586
"1299725"	330.012664	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Cl+CF3COOH"	148.962264
"1368775"	146.037724	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H-2H2O"	-35.012676
"1386271"	164.0477	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H-H2O"	-17.0027
"286686"	363.108076	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+H"	1.007276
"678013"	544.158476	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+H"	1.007276
"1354723"	182.057676	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H"	1.007276
"132723"	182.057676	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+2H"	2.014552
"570098"	272.582876	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+2H"	2.014552
"1039263"	91.532476	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2H"	2.014552
"207892"	121.707542666667	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+3H"	3.021828
"651826"	182.057676	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+3H"	3.021828
"1175057"	61.3574093333333	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+3H"	3.021828
"437600"	380.134623	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+NH4"	18.033823
"793129"	561.185023	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+NH4"	18.033823
"1689461"	199.084223	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+NH4"	18.033823
"335551"	190.5709495	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+H+NH4"	19.041099
"724204"	281.0961495	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+H+NH4"	19.041099
"1481789"	100.0457495	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H+NH4"	19.041099
"396096"	385.090018	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+Na"	22.989218
"758184"	566.140418	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+Na"	22.989218
"1608469"	204.039618	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Na"	22.989218
"320693"	193.048647	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+H+Na"	23.996494
"710926"	283.573847	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+H+Na"	23.996494
"1464018"	102.523447	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H+Na"	23.996494
"1060183"	68.6847233333333	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2H+Na"	25.00377
"1264049"	214.083886	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+CH3OH+H"	33.033486
"385905"	401.063958	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+K"	38.963158
"747993"	582.114358	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+K"	38.963158
"1551139"	220.013558	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+K"	38.963158
"306129"	201.035617	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+H+K"	39.970434
"696365"	291.560817	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+H+K"	39.970434
"1458209"	110.510417	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H+K"	39.970434
"251072"	404.134626	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+ACN+H"	42.033826
"1224511"	223.084226	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+ACN+H"	42.033826
"1209361"	112.045751	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+ACN+2H"	43.041102
"202841"	407.07196	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+2Na-H"	44.97116
"642402"	588.12236	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+2Na-H"	44.97116
"1144448"	226.02156	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2Na-H"	44.97116
"184454"	204.039618	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+2Na"	45.978436
"622918"	294.564818	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+2Na"	45.978436
"1128249"	113.514418	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2Na"	45.978436
"1408859"	76.0120373333333	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H+2Na"	46.985712
"1435504"	228.063146	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H+HCOOH"	47.012746
"231036"	209.07264	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+3H2O+2H"	56.04448
"1511078"	242.11519	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+IsoProp+H"	61.06479
"411860"	212.026588	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+Na+K"	61.952376
"775045"	302.551788	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+Na+K"	61.952376
"1675751"	121.501388	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Na+K"	61.952376
"256804"	426.116568	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+ACN+Na"	64.015768
"1232790"	245.066168	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+ACN+Na"	64.015768
"1721679"	245.089693	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+NH4+HCOOH"	64.039293
"1191047"	83.3393513333333	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+3Na"	68.967654
"1661298"	250.045088	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Na+HCOOH"	68.994688
"169252"	439.01984	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+2K-H"	76.91904
"605534"	620.07024	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+2K-H"	76.91904
"1095513"	257.96944	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2K-H"	76.91904
"153059"	220.013558	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"2M+2K"	77.926316
"591892"	310.538758	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"3M+2K"	77.926316
"1074220"	129.488358	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2K"	77.926316
"1103420"	259.983992	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2K+H"	78.933592
"1339439"	260.071607	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+DMSO+H"	79.021207
"1007969"	264.110776	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2ACN+H"	83.060376
"1530470"	265.104408	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+IsoProp+Na+H"	84.054008
"990478"	132.559026	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+2ACN+2H"	84.067652
"1588016"	266.019028	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+K+HCOOH"	84.968628
"1417086"	296.050538	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+H+CF3COOH"	115.000138
"1152841"	153.072301	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+3ACN+2H"	125.094202
"1697123"	313.077085	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+NH4+CF3COOH"	132.026685
"1644605"	318.03248	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+Na+CF3COOH"	136.98208
"1579166"	334.00642	"C05042"	"Glufosinate;Phosphinothricin;2-Amino-4-(hydroxymethylphosphinyl)butanoic acid"	"C5H12NO4P"	"181.0504"	"M+K+CF3COOH"	152.95602
"801871"	150.0528	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M"	0
"989386"	131.03441	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"74591"	99.027924	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"508683"	149.045524	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"893053"	49.010324	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"10534"	149.045524	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"451552"	224.071924	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"827895"	74.019124	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"87890"	299.098324	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"525262"	449.151124	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"904155"	149.045524	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"53428"	316.124871	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"496999"	466.177671	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"870429"	166.072071	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"44768"	321.080266	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"484088"	471.133066	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"861162"	171.027466	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1631790"	171.027466	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"108683"	167.033863	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"547880"	242.060263	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"939207"	92.007463	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"280316"	335.075002	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"673465"	485.127802	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1279310"	185.022202	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"20773"	337.054206	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"464708"	487.107006	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"839231"	187.001406	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1557251"	187.001406	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"956069"	195.050994	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"367721"	345.103801	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"351606"	359.119451	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1502626"	209.066651	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"972355"	217.032951	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"123452"	185.022202	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"555359"	260.048602	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1030720"	109.995802	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1250297"	228.971685	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1314934"	231.027672	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1329153"	253.009629	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"912922"	263.038386	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1289628"	299.015064	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1372894"	115.040124	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1384923"	133.0501	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"284243"	301.112876	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"679217"	451.165676	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1354477"	151.060076	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"129555"	151.060076	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"571301"	226.086476	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1040103"	76.033676	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"210190"	101.042476	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"656675"	151.060076	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1172982"	51.024876	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"430057"	318.139423	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"791053"	468.192223	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1687384"	168.086623	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"335662"	159.5733495	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"729173"	234.5997495	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1486274"	84.5469495	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"398392"	323.094818	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"762668"	473.147618	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1608578"	173.042018	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"318616"	162.051047	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"709945"	237.077447	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1464127"	87.024647	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1055551"	58.35219	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1260148"	183.086286	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"381640"	339.068758	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"742636"	489.121558	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1544688"	189.015958	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"300410"	170.038017	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"699396"	245.064417	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1458684"	95.011617	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"251018"	342.139426	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1225106"	192.086626	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1208621"	96.546951	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"202352"	345.07676	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"642632"	495.12956	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1144192"	195.02396	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"183471"	173.042018	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"624855"	248.068418	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1127632"	98.015618	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1409698"	65.679504	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1441083"	197.065546	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"224221"	178.07504	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1513378"	211.11759	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"415252"	181.028988	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"783542"	256.055388	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1676956"	106.002588	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"263843"	364.121368	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1233996"	214.068568	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1720694"	214.092093	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1187140"	73.006818	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1658128"	219.047488	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"162802"	377.02464	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"601270"	527.07744	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1093437"	226.97184	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"145880"	189.015958	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"590908"	264.042358	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1079794"	113.989558	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1109724"	228.986392	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1338455"	229.074007	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1009172"	233.113176	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1526207"	234.106808	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"995935"	117.060226	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1589342"	235.021428	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1422663"	265.052938	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1152951"	137.573501	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1697054"	282.079485	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1642528"	287.03488	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1579276"	303.00882	"C05052"	"Ribulose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"802228"	109.0528	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M"	0
"983175"	90.03441	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-H2O-H"	-19.01839
"71422"	71.6945906666667	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M-3H"	-3.021828
"512075"	108.045524	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M-3H"	-3.021828
"890972"	35.3436573333333	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-3H"	-3.021828
"9549"	108.045524	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M-2H"	-2.014552
"448014"	162.571924	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M-2H"	-2.014552
"825818"	53.519124	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-2H"	-2.014552
"85811"	217.098324	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M-H"	-1.007276
"528653"	326.151124	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M-H"	-1.007276
"900987"	108.045524	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-H"	-1.007276
"54265"	234.124871	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M-2H+NH4"	16.019271
"490547"	343.177671	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M-2H+NH4"	16.019271
"873816"	125.072071	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-2H+NH4"	16.019271
"36252"	239.080266	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M-2H+Na"	20.974666
"478001"	348.133066	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M-2H+Na"	20.974666
"861638"	130.027466	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-2H+Na"	20.974666
"1631897"	130.027466	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Na-2H"	20.974666
"104052"	126.033863	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M-H+Cl"	33.962126
"547628"	180.560263	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M-H+Cl"	33.962126
"940412"	71.507463	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-H+Cl"	33.962126
"281032"	253.075002	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+Cl"	34.969402
"665924"	362.127802	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+Cl"	34.969402
"1275046"	144.022202	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Cl"	34.969402
"17601"	255.054206	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M-2H+K"	36.948606
"464817"	364.107006	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M-2H+K"	36.948606
"846995"	146.001406	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-2H+K"	36.948606
"1570117"	146.001406	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+K-2H"	36.948606
"956179"	154.050994	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-H+HCOOH"	44.998194
"366741"	263.103801	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+HCOOH-H"	44.998201
"351721"	277.119451	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+Hac-H"	59.013851
"1504925"	168.066651	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Hac-H"	59.013851
"970278"	176.032951	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-H+NaCOOH"	66.980151
"114814"	144.022202	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+2Cl"	69.938804
"553282"	198.548602	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+2Cl"	69.938804
"1024269"	89.495802	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2Cl"	69.938804
"1249313"	187.971685	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Br"	78.918885
"1310668"	190.027672	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Cl+HCOOH"	80.974872
"1329264"	212.009629	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Cl+NaCOOH"	102.956829
"913761"	222.038386	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M-H+CF3COOH"	112.985586
"1288576"	258.015064	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Cl+CF3COOH"	148.962264
"1375192"	74.040124	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H-2H2O"	-35.012676
"1391594"	92.0501	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H-H2O"	-17.0027
"286908"	219.112876	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+H"	1.007276
"681515"	328.165676	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+H"	1.007276
"1354585"	110.060076	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H"	1.007276
"129665"	110.060076	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+2H"	2.014552
"572503"	164.586476	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+2H"	2.014552
"1040210"	55.533676	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2H"	2.014552
"212488"	73.7091426666667	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+3H"	3.021828
"653143"	110.060076	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+3H"	3.021828
"1170175"	37.3582093333333	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+3H"	3.021828
"436366"	236.139423	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+NH4"	18.033823
"796631"	345.192223	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+NH4"	18.033823
"1689679"	127.086623	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+NH4"	18.033823
"343426"	118.5733495	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+H+NH4"	19.041099
"732929"	173.0997495	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+H+NH4"	19.041099
"1484196"	64.0469495	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H+NH4"	19.041099
"400691"	241.094818	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+Na"	22.989218
"764603"	350.147618	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+Na"	22.989218
"1608692"	132.042018	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Na"	22.989218
"320914"	121.051047	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+H+Na"	23.996494
"712240"	175.577447	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+H+Na"	23.996494
"1468251"	66.524647	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H+Na"	23.996494
"1062591"	44.6855233333333	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2H+Na"	25.00377
"1269372"	142.086286	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+CH3OH+H"	33.033486
"387218"	257.068758	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+K"	38.963158
"749307"	366.121558	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+K"	38.963158
"1552091"	148.015958	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+K"	38.963158
"310728"	129.038017	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+H+K"	39.970434
"702054"	183.564417	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+H+K"	39.970434
"1456968"	74.511617	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H+K"	39.970434
"248121"	260.139426	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+ACN+H"	42.033826
"1224112"	151.086626	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+ACN+H"	42.033826
"1208730"	76.046951	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+ACN+2H"	43.041102
"202817"	263.07676	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+2Na-H"	44.97116
"641526"	372.12956	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+2Na-H"	44.97116
"1145030"	154.02396	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2Na-H"	44.97116
"185403"	132.042018	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+2Na"	45.978436
"622047"	186.568418	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+2Na"	45.978436
"1123367"	77.515618	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2Na"	45.978436
"1405797"	52.0128373333333	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H+2Na"	46.985712
"1432445"	156.065546	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H+HCOOH"	47.012746
"223235"	137.07504	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+3H2O+2H"	56.04448
"1511301"	170.11759	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+IsoProp+H"	61.06479
"410990"	140.028988	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+Na+K"	61.952376
"781463"	194.555388	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+Na+K"	61.952376
"1677067"	85.502588	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Na+K"	61.952376
"262492"	282.121368	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+ACN+Na"	64.015768
"1237023"	173.068568	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+ACN+Na"	64.015768
"1726640"	173.092093	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+NH4+HCOOH"	64.039293
"1192360"	59.3401513333333	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+3Na"	68.967654
"1663591"	178.047488	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Na+HCOOH"	68.994688
"171546"	295.02464	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+2K-H"	76.91904
"607944"	404.07744	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+2K-H"	76.91904
"1099593"	185.97184	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2K-H"	76.91904
"156561"	148.015958	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"2M+2K"	77.926316
"596121"	202.542358	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"3M+2K"	77.926316
"1081001"	93.489558	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2K"	77.926316
"1113115"	187.986392	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2K+H"	78.933592
"1339660"	188.074007	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+DMSO+H"	79.021207
"1012567"	192.113176	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2ACN+H"	83.060376
"1528504"	193.106808	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+IsoProp+Na+H"	84.054008
"992763"	96.560226	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+2ACN+2H"	84.067652
"1590548"	194.021428	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+K+HCOOH"	84.968628
"1416212"	224.052938	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+H+CF3COOH"	115.000138
"1153061"	117.073501	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+3ACN+2H"	125.094202
"1697059"	241.079485	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+NH4+CF3COOH"	132.026685
"1644830"	246.03488	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+Na+CF3COOH"	136.98208
"1579387"	262.00882	"C05058"	"m-Aminophenol;3-Aminophenol;3-Hydroxyaniline"	"C6H7NO"	"109.0528"	"M+K+CF3COOH"	152.95602
"803555"	109.029	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M"	0
"980004"	90.01061	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H2O-H"	-19.01839
"72623"	71.678724	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-3H"	-3.021828
"513278"	108.021724	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-3H"	-3.021828
"888893"	35.335724	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-3H"	-3.021828
"10752"	108.021724	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H"	-2.014552
"447030"	162.536224	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H"	-2.014552
"827021"	53.507224	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H"	-2.014552
"90293"	217.050724	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-H"	-1.007276
"528762"	326.079724	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-H"	-1.007276
"904376"	108.021724	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H"	-1.007276
"52190"	234.077271	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H+NH4"	16.019271
"491749"	343.106271	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H+NH4"	16.019271
"871740"	125.048271	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H+NH4"	16.019271
"36363"	239.032666	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H+Na"	20.974666
"480298"	348.061666	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H+Na"	20.974666
"862477"	130.003666	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H+Na"	20.974666
"1630914"	130.003666	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na-2H"	20.974666
"104162"	126.010063	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-H+Cl"	33.962126
"547983"	180.524563	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-H+Cl"	33.962126
"940768"	71.495563	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+Cl"	33.962126
"281263"	253.027402	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Cl"	34.969402
"666034"	362.056402	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+Cl"	34.969402
"1275520"	143.998402	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl"	34.969402
"17712"	255.006606	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M-2H+K"	36.948606
"468207"	364.035606	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M-2H+K"	36.948606
"845285"	145.977606	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-2H+K"	36.948606
"1569863"	145.977606	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K-2H"	36.948606
"955195"	154.027194	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+HCOOH"	44.998194
"367944"	263.056201	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+HCOOH-H"	44.998201
"352195"	277.071851	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Hac-H"	59.013851
"1506129"	168.042851	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Hac-H"	59.013851
"972576"	176.009151	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+NaCOOH"	66.980151
"115288"	143.998402	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2Cl"	69.938804
"558858"	198.512902	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2Cl"	69.938804
"1024742"	89.483902	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2Cl"	69.938804
"1243954"	187.947885	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Br"	78.918885
"1308956"	190.003872	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl+HCOOH"	80.974872
"1332291"	211.985829	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl+NaCOOH"	102.956829
"915694"	222.014586	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M-H+CF3COOH"	112.985586
"1294955"	257.991264	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Cl+CF3COOH"	148.962264
"1381135"	74.016324	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H-2H2O"	-35.012676
"1393891"	92.0263	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H-H2O"	-17.0027
"294308"	219.065276	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H"	1.007276
"681626"	328.094276	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H"	1.007276
"1357976"	110.036276	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H"	1.007276
"131962"	110.036276	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2H"	2.014552
"573707"	164.550776	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2H"	2.014552
"1043602"	55.521776	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2H"	2.014552
"217701"	73.693276	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+3H"	3.021828
"655442"	110.036276	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+3H"	3.021828
"1169193"	37.350276	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+3H"	3.021828
"435747"	236.091823	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+NH4"	18.033823
"795648"	345.120823	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+NH4"	18.033823
"1693435"	127.062823	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+NH4"	18.033823
"343537"	118.5495495	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H+NH4"	19.041099
"733766"	173.0640495	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H+NH4"	19.041099
"1484306"	64.0350495	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+NH4"	19.041099
"399706"	241.047218	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Na"	22.989218
"765076"	350.076218	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+Na"	22.989218
"1609893"	132.018218	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na"	22.989218
"319930"	121.027247	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H+Na"	23.996494
"712350"	175.541747	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H+Na"	23.996494
"1471641"	66.512747	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+Na"	23.996494
"1060514"	44.67759	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2H+Na"	25.00377
"1271913"	142.062486	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+CH3OH+H"	33.033486
"386235"	257.021158	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+K"	38.963158
"752701"	366.050158	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+K"	38.963158
"1548190"	147.992158	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K"	38.963158
"308648"	129.014217	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+H+K"	39.970434
"699976"	183.528717	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+H+K"	39.970434
"1454890"	74.499717	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+K"	39.970434
"246772"	260.091826	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+ACN+H"	42.033826
"1222763"	151.062826	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+ACN+H"	42.033826
"1209326"	76.035051	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+ACN+2H"	43.041102
"200989"	263.02916	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2Na-H"	44.97116
"641881"	372.05816	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2Na-H"	44.97116
"1144411"	154.00016	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2Na-H"	44.97116
"183691"	132.018218	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2Na"	45.978436
"619970"	186.532718	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2Na"	45.978436
"1123476"	77.503718	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2Na"	45.978436
"1408094"	52.004904	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+2Na"	46.985712
"1431096"	156.041746	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+HCOOH"	47.012746
"223345"	137.05124	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+3H2O+2H"	56.04448
"1511411"	170.09379	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+IsoProp+H"	61.06479
"411100"	140.005188	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+Na+K"	61.952376
"781937"	194.519688	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+Na+K"	61.952376
"1676082"	85.490688	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na+K"	61.952376
"261509"	282.073768	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+ACN+Na"	64.015768
"1237497"	173.044768	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+ACN+Na"	64.015768
"1727609"	173.068293	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+NH4+HCOOH"	64.039293
"1193446"	59.332218	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+3Na"	68.967654
"1665160"	178.023688	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na+HCOOH"	68.994688
"169589"	294.97704	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2K-H"	76.91904
"610242"	404.00604	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2K-H"	76.91904
"1099853"	185.94804	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2K-H"	76.91904
"156188"	147.992158	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"2M+2K"	77.926316
"596720"	202.506658	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"3M+2K"	77.926316
"1081111"	93.477658	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2K"	77.926316
"1107758"	187.962592	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2K+H"	78.933592
"1338677"	188.050207	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+DMSO+H"	79.021207
"1014863"	192.089376	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2ACN+H"	83.060376
"1532989"	193.083008	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+IsoProp+Na+H"	84.054008
"997252"	96.548326	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+2ACN+2H"	84.067652
"1589929"	193.997628	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K+HCOOH"	84.968628
"1416322"	224.029138	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+H+CF3COOH"	115.000138
"1153171"	117.061601	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+3ACN+2H"	125.094202
"1707097"	241.055685	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+NH4+CF3COOH"	132.026685
"1644940"	246.01108	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+Na+CF3COOH"	136.98208
"1579497"	261.98502	"C05060"	"o-Benzosemiquinone;2-Hydroxyphenoxy radical"	"C6H5O2"	"109.029"	"M+K+CF3COOH"	152.95602
"801720"	357.0299	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M"	0
"981209"	338.01151	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-H2O-H"	-19.01839
"70548"	237.012657333333	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M-3H"	-3.021828
"516671"	356.022624	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M-3H"	-3.021828
"894351"	118.002690666667	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-3H"	-3.021828
"8674"	356.022624	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M-2H"	-2.014552
"451515"	534.537574	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M-2H"	-2.014552
"829316"	177.507674	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-2H"	-2.014552
"88218"	713.052524	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M-H"	-1.007276
"525591"	1070.082424	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M-H"	-1.007276
"907763"	356.022624	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-H"	-1.007276
"53393"	730.079071	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M-2H+NH4"	16.019271
"496233"	1087.108971	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M-2H+NH4"	16.019271
"870757"	373.049171	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-2H+NH4"	16.019271
"39753"	735.034466	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M-2H+Na"	20.974666
"479315"	1092.064366	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M-2H+Na"	20.974666
"851648"	378.004566	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-2H+Na"	20.974666
"1629931"	378.004566	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Na-2H"	20.974666
"106460"	374.010963	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M-H+Cl"	33.962126
"542743"	552.525913	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M-H+Cl"	33.962126
"941724"	195.496013	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-H+Cl"	33.962126
"269711"	749.029202	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+Cl"	34.969402
"663224"	1106.059102	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+Cl"	34.969402
"1280730"	391.999302	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Cl"	34.969402
"17821"	751.008406	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M-2H+K"	36.948606
"461757"	1108.038306	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M-2H+K"	36.948606
"838464"	393.978506	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-2H+K"	36.948606
"1564140"	393.978506	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+K-2H"	36.948606
"947649"	402.028094	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-H+HCOOH"	44.998194
"370241"	759.058001	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+HCOOH-H"	44.998201
"358497"	773.073651	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+Hac-H"	59.013851
"1505143"	416.043751	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Hac-H"	59.013851
"973051"	424.010051	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-H+NaCOOH"	66.980151
"123783"	391.999302	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+2Cl"	69.938804
"558968"	570.514252	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+2Cl"	69.938804
"1022784"	213.484352	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2Cl"	69.938804
"1244064"	435.948785	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Br"	78.918885
"1310532"	438.004772	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Cl+HCOOH"	80.974872
"1329486"	459.986729	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Cl+NaCOOH"	102.956829
"923825"	470.015486	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M-H+CF3COOH"	112.985586
"1300533"	505.992164	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Cl+CF3COOH"	148.962264
"1381125"	322.017224	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H-2H2O"	-35.012676
"1392911"	340.0272	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H-H2O"	-17.0027
"294782"	715.067076	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+H"	1.007276
"685018"	1072.096976	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+H"	1.007276
"1364287"	358.037176	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H"	1.007276
"134259"	358.037176	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+2H"	2.014552
"570539"	536.552126	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+2H"	2.014552
"1043711"	179.522226	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2H"	2.014552
"216717"	239.027209333333	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+3H"	3.021828
"657739"	358.037176	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+3H"	3.021828
"1174774"	120.017242666667	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+3H"	3.021828
"436586"	732.093623	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+NH4"	18.033823
"796483"	1089.123523	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+NH4"	18.033823
"1688805"	375.063723	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+NH4"	18.033823
"342550"	366.5504495	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+H+NH4"	19.041099
"733876"	545.0653995	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+H+NH4"	19.041099
"1485510"	188.0354995	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H+NH4"	19.041099
"398723"	737.049018	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+Na"	22.989218
"759719"	1094.078918	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+Na"	22.989218
"1608909"	380.019118	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Na"	22.989218
"317853"	369.028147	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+H+Na"	23.996494
"711366"	547.543097	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+H+Na"	23.996494
"1468471"	190.513197	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H+Na"	23.996494
"1059529"	127.344556666667	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2H+Na"	25.00377
"1263394"	390.063386	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+CH3OH+H"	33.033486
"388531"	753.022958	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+K"	38.963158
"748434"	1110.052858	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+K"	38.963158
"1549396"	395.993058	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+K"	38.963158
"304384"	377.015117	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+H+K"	39.970434
"697899"	555.530067	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+H+K"	39.970434
"1453907"	198.500167	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H+K"	39.970434
"251100"	756.093626	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+ACN+H"	42.033826
"1223251"	399.063726	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+ACN+H"	42.033826
"1209437"	200.035501	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+ACN+2H"	43.041102
"202554"	759.03096	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+2Na-H"	44.97116
"644014"	1116.06086	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+2Na-H"	44.97116
"1141602"	402.00106	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2Na-H"	44.97116
"182707"	380.019118	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+2Na"	45.978436
"625548"	558.534068	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+2Na"	45.978436
"1124677"	201.504168	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2Na"	45.978436
"1400551"	134.671870666667	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H+2Na"	46.985712
"1433763"	404.042646	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H+HCOOH"	47.012746
"224554"	385.05214	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+3H2O+2H"	56.04448
"1511522"	418.09469	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+IsoProp+H"	61.06479
"418866"	388.006088	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+Na+K"	61.952376
"778770"	566.521038	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+Na+K"	61.952376
"1670724"	209.491138	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Na+K"	61.952376
"262348"	778.075568	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+ACN+Na"	64.015768
"1237609"	421.045668	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+ACN+Na"	64.015768
"1725037"	421.069193	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+NH4+HCOOH"	64.039293
"1190756"	141.999184666667	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+3Na"	68.967654
"1663929"	426.024588	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Na+HCOOH"	68.994688
"167509"	790.97884	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+2K-H"	76.91904
"609255"	1148.00874	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+2K-H"	76.91904
"1093768"	433.94894	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2K-H"	76.91904
"151680"	395.993058	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"2M+2K"	77.926316
"595984"	574.508008	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"3M+2K"	77.926316
"1075754"	217.478108	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2K"	77.926316
"1107868"	435.963492	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2K+H"	78.933592
"1344257"	436.051107	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+DMSO+H"	79.021207
"1017160"	440.090276	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2ACN+H"	83.060376
"1526900"	441.083908	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+IsoProp+Na+H"	84.054008
"992981"	220.548776	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+2ACN+2H"	84.067652
"1588947"	441.998528	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+K+HCOOH"	84.968628
"1415701"	472.030038	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+H+CF3COOH"	115.000138
"1150002"	241.062051	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+3ACN+2H"	125.094202
"1701743"	489.056585	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+NH4+CF3COOH"	132.026685
"1639581"	494.01198	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+Na+CF3COOH"	136.98208
"1579608"	509.98592	"C05071"	"Chlorsulfuron"	"C12H12ClN5O4S"	"357.0299"	"M+K+CF3COOH"	152.95602
"802681"	1109.3753	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M"	0
"980226"	1090.35691	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-H2O-H"	-19.01839
"70657"	738.576257333333	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M-3H"	-3.021828
"517510"	1108.368024	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M-3H"	-3.021828
"892395"	368.784490666667	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-3H"	-3.021828
"10972"	1108.368024	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M-2H"	-2.014552
"453812"	1663.055674	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M-2H"	-2.014552
"831979"	553.680374	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-2H"	-2.014552
"91607"	2217.743324	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M-H"	-1.007276
"530073"	3327.118624	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M-H"	-1.007276
"908604"	1108.368024	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-H"	-1.007276
"56783"	2234.769871	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M-2H+NH4"	16.019271
"496342"	3344.145171	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M-2H+NH4"	16.019271
"875240"	1125.394571	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-2H+NH4"	16.019271
"40957"	2239.725266	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M-2H+Na"	20.974666
"480518"	3349.100566	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M-2H+Na"	20.974666
"852851"	1130.349966	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-2H+Na"	20.974666
"1630041"	1130.349966	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Na-2H"	20.974666
"107663"	1126.356363	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M-H+Cl"	33.962126
"547229"	1681.044013	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M-H+Cl"	33.962126
"941595"	571.668713	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-H+Cl"	33.962126
"273832"	2253.720002	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+Cl"	34.969402
"663700"	3363.095302	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+Cl"	34.969402
"1276831"	1144.344702	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Cl"	34.969402
"19024"	2255.699206	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M-2H+K"	36.948606
"459680"	3365.074506	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M-2H+K"	36.948606
"838574"	1146.323906	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-2H+K"	36.948606
"1564248"	1146.323906	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+K-2H"	36.948606
"947028"	1154.373494	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-H+HCOOH"	44.998194
"370351"	2263.748801	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+HCOOH-H"	44.998201
"357514"	2277.764451	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+Hac-H"	59.013851
"1500877"	1168.389151	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Hac-H"	59.013851
"972794"	1176.355451	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-H+NaCOOH"	66.980151
"125110"	1144.344702	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+2Cl"	69.938804
"556162"	1699.032352	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+2Cl"	69.938804
"1024595"	589.657052	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2Cl"	69.938804
"1245267"	1188.294185	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Br"	78.918885
"1308820"	1190.350172	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Cl+HCOOH"	80.974872
"1330689"	1212.332129	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Cl+NaCOOH"	102.956829
"922840"	1222.360886	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M-H+CF3COOH"	112.985586
"1301372"	1258.337564	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Cl+CF3COOH"	148.962264
"1381478"	1074.362624	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H-2H2O"	-35.012676
"1395572"	1092.3726	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H-H2O"	-17.0027
"294892"	2219.757876	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+H"	1.007276
"684764"	3329.133176	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+H"	1.007276
"1362575"	1110.382576	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H"	1.007276
"134369"	1110.382576	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+2H"	2.014552
"570649"	1665.070226	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+2H"	2.014552
"1046007"	555.694926	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2H"	2.014552
"217191"	740.590809333333	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+3H"	3.021828
"658213"	1110.382576	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+3H"	3.021828
"1175613"	370.799042666667	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+3H"	3.021828
"437790"	2236.784423	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+NH4"	18.033823
"798051"	3346.159723	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+NH4"	18.033823
"1690009"	1127.409123	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+NH4"	18.033823
"342660"	1118.8958495	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+H+NH4"	19.041099
"732893"	1673.5834995	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+H+NH4"	19.041099
"1484527"	564.2081995	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H+NH4"	19.041099
"399926"	2241.739818	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+Na"	22.989218
"755942"	3351.115118	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+Na"	22.989218
"1606833"	1132.364518	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Na"	22.989218
"315779"	1121.373547	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+H+Na"	23.996494
"710386"	1676.061197	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+H+Na"	23.996494
"1467488"	566.685897	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H+Na"	23.996494
"1057452"	378.126356666667	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2H+Na"	25.00377
"1262411"	1142.408786	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+CH3OH+H"	33.033486
"384267"	2257.713758	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+K"	38.963158
"750730"	3367.089058	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+K"	38.963158
"1549506"	1148.338458	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+K"	38.963158
"307773"	1129.360517	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+H+K"	39.970434
"696916"	1684.048167	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+H+K"	39.970434
"1454017"	574.672867	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H+K"	39.970434
"248088"	2260.784426	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+ACN+H"	42.033826
"1221891"	1151.409126	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+ACN+H"	42.033826
"1209425"	576.208201	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+ACN+2H"	43.041102
"203749"	2263.72176	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+2Na-H"	44.97116
"642580"	3373.09706	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+2Na-H"	44.97116
"1139525"	1154.34646	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2Na-H"	44.97116
"180631"	1132.364518	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+2Na"	45.978436
"624563"	1687.052168	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+2Na"	45.978436
"1121508"	577.676868	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2Na"	45.978436
"1400782"	385.453670666667	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H+2Na"	46.985712
"1434966"	1156.388046	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H+HCOOH"	47.012746
"225756"	1137.39754	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+3H2O+2H"	56.04448
"1512725"	1170.44009	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+IsoProp+H"	61.06479
"417882"	1140.351488	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+Na+K"	61.952376
"777785"	1695.039138	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+Na+K"	61.952376
"1674113"	585.663838	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Na+K"	61.952376
"264644"	2282.766368	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+ACN+Na"	64.015768
"1237719"	1173.391068	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+ACN+Na"	64.015768
"1726604"	1173.414593	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+NH4+HCOOH"	64.039293
"1193783"	392.780984666667	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+3Na"	68.967654
"1662946"	1178.369988	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Na+HCOOH"	68.994688
"168712"	2295.66964	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+2K-H"	76.91904
"608271"	3405.04494	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+2K-H"	76.91904
"1094971"	1186.29434	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2K-H"	76.91904
"153976"	1148.338458	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"2M+2K"	77.926316
"593535"	1703.026108	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"3M+2K"	77.926316
"1073677"	593.650808	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2K"	77.926316
"1107978"	1188.308892	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2K+H"	78.933592
"1344367"	1188.396507	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+DMSO+H"	79.021207
"1017270"	1192.435676	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2ACN+H"	83.060376
"1526644"	1193.429308	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+IsoProp+Na+H"	84.054008
"993091"	596.721476	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+2ACN+2H"	84.067652
"1590150"	1194.343928	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+K+HCOOH"	84.968628
"1414839"	1224.375438	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+H+CF3COOH"	115.000138
"1150112"	617.234751	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+3ACN+2H"	125.094202
"1701853"	1241.401985	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+NH4+CF3COOH"	132.026685
"1639691"	1246.35738	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+Na+CF3COOH"	136.98208
"1579718"	1262.33132	"C05073"	"Coumermycin A1;Coumermycin"	"C55H59N5O20"	"1109.3753"	"M+K+CF3COOH"	152.95602
"801365"	311.127	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M"	0
"980336"	292.10861	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-H2O-H"	-19.01839
"67487"	206.410724	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M-3H"	-3.021828
"503278"	310.119724	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M-3H"	-3.021828
"881201"	102.701724	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-3H"	-3.021828
"9989"	310.119724	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M-2H"	-2.014552
"445171"	465.683224	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M-2H"	-2.014552
"828442"	154.556224	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-2H"	-2.014552
"87341"	621.246724	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M-H"	-1.007276
"530183"	932.373724	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M-H"	-1.007276
"906892"	310.119724	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-H"	-1.007276
"52520"	638.273271	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M-2H+NH4"	16.019271
"494266"	949.400271	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M-2H+NH4"	16.019271
"873162"	327.146271	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-2H+NH4"	16.019271
"41064"	643.228666	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M-2H+Na"	20.974666
"480624"	954.355666	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M-2H+Na"	20.974666
"851868"	332.101666	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-2H+Na"	20.974666
"1631244"	332.101666	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Na-2H"	20.974666
"108866"	328.108063	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M-H+Cl"	33.962126
"547704"	483.671563	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M-H+Cl"	33.962126
"941943"	172.544563	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-H+Cl"	33.962126
"272119"	657.223402	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+Cl"	34.969402
"661258"	968.350402	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+Cl"	34.969402
"1273902"	346.096402	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Cl"	34.969402
"17190"	659.202606	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M-2H+K"	36.948606
"458696"	970.329606	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M-2H+K"	36.948606
"837590"	348.075606	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-2H+K"	36.948606
"1563265"	348.075606	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+K-2H"	36.948606
"945681"	356.125194	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-H+HCOOH"	44.998194
"370461"	667.252201	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+HCOOH-H"	44.998201
"357624"	681.267851	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+Hac-H"	59.013851
"1500987"	370.140851	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Hac-H"	59.013851
"972904"	378.107151	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-H+NaCOOH"	66.980151
"124974"	346.096402	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+2Cl"	69.938804
"558093"	501.659902	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+2Cl"	69.938804
"1024705"	190.532902	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2Cl"	69.938804
"1245013"	390.045885	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Br"	78.918885
"1313304"	392.101872	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Cl+HCOOH"	80.974872
"1328611"	414.083829	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Cl+NaCOOH"	102.956829
"922949"	424.112586	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M-H+CF3COOH"	112.985586
"1303668"	460.089264	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Cl+CF3COOH"	148.962264
"1380006"	276.114324	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H-2H2O"	-35.012676
"1393495"	294.1243	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H-H2O"	-17.0027
"291723"	623.261276	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+H"	1.007276
"685239"	934.388276	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+H"	1.007276
"1361591"	312.134276	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H"	1.007276
"135573"	312.134276	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+2H"	2.014552
"571852"	467.697776	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+2H"	2.014552
"1042839"	156.570776	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2H"	2.014552
"217301"	208.425276	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+3H"	3.021828
"658323"	312.134276	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+3H"	3.021828
"1176815"	104.716276	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+3H"	3.021828
"437900"	640.287823	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+NH4"	18.033823
"795976"	951.414823	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+NH4"	18.033823
"1691213"	329.160823	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+NH4"	18.033823
"341677"	320.6475495	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+H+NH4"	19.041099
"734096"	476.2110495	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+H+NH4"	19.041099
"1484637"	165.0840495	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H+NH4"	19.041099
"396757"	645.243218	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+Na"	22.989218
"755931"	956.370218	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+Na"	22.989218
"1608036"	334.116218	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Na"	22.989218
"318075"	323.125247	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+H+Na"	23.996494
"710496"	478.688747	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+H+Na"	23.996494
"1467598"	167.561747	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H+Na"	23.996494
"1053552"	112.04359	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2H+Na"	25.00377
"1261428"	344.160486	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+CH3OH+H"	33.033486
"382191"	661.217158	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+K"	38.963158
"748653"	972.344158	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+K"	38.963158
"1548522"	350.090158	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+K"	38.963158
"305696"	331.112217	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+H+K"	39.970434
"697026"	486.675717	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+H+K"	39.970434
"1448660"	175.548717	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H+K"	39.970434
"248198"	664.287826	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+ACN+H"	42.033826
"1219814"	353.160826	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+ACN+H"	42.033826
"1209414"	177.084051	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+ACN+2H"	43.041102
"201672"	667.22516	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+2Na-H"	44.97116
"641233"	978.35216	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+2Na-H"	44.97116
"1138542"	356.09816	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2Na-H"	44.97116
"181470"	334.116218	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+2Na"	45.978436
"622122"	489.679718	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+2Na"	45.978436
"1121618"	178.552718	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2Na"	45.978436
"1399799"	119.370904	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H+2Na"	46.985712
"1430942"	358.139746	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H+HCOOH"	47.012746
"226959"	339.14924	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+3H2O+2H"	56.04448
"1512835"	372.19179	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+IsoProp+H"	61.06479
"419084"	342.103188	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+Na+K"	61.952376
"775709"	497.666688	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+Na+K"	61.952376
"1674223"	186.539688	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Na+K"	61.952376
"264025"	686.269768	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+ACN+Na"	64.015768
"1239287"	375.142768	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+ACN+Na"	64.015768
"1724526"	375.166293	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+NH4+HCOOH"	64.039293
"1190975"	126.698218	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+3Na"	68.967654
"1660868"	380.121688	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Na+HCOOH"	68.994688
"168822"	699.17304	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+2K-H"	76.91904
"606193"	1010.30004	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+2K-H"	76.91904
"1091801"	388.04604	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2K-H"	76.91904
"150806"	350.090158	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"2M+2K"	77.926316
"589271"	505.653658	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"3M+2K"	77.926316
"1071963"	194.526658	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2K"	77.926316
"1103350"	390.060592	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2K+H"	78.933592
"1344477"	390.148207	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+DMSO+H"	79.021207
"1017380"	394.187376	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2ACN+H"	83.060376
"1525660"	395.181008	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+IsoProp+Na+H"	84.054008
"991743"	197.597326	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+2ACN+2H"	84.067652
"1588193"	396.095628	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+K+HCOOH"	84.968628
"1414261"	426.127138	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+H+CF3COOH"	115.000138
"1148277"	218.110601	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+3ACN+2H"	125.094202
"1703056"	443.153685	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+NH4+CF3COOH"	132.026685
"1639801"	448.10908	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+Na+CF3COOH"	136.98208
"1579828"	464.08302	"C05076"	"Imazaquin"	"C17H17N3O3"	"311.127"	"M+K+CF3COOH"	152.95602
"802537"	232.0848	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M"	0
"980446"	213.06641	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-H2O-H"	-19.01839
"66504"	153.715924	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M-3H"	-3.021828
"503147"	231.077524	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M-3H"	-3.021828
"886051"	76.354324	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-3H"	-3.021828
"9006"	231.077524	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M-2H"	-2.014552
"449656"	347.119924	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M-2H"	-2.014552
"827460"	115.035124	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-2H"	-2.014552
"90734"	463.162324	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M-H"	-1.007276
"529201"	695.247124	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M-H"	-1.007276
"903722"	231.077524	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-H"	-1.007276
"47767"	480.188871	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M-2H+NH4"	16.019271
"494378"	712.273671	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M-2H+NH4"	16.019271
"872182"	248.104071	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-2H+NH4"	16.019271
"40083"	485.144266	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M-2H+Na"	20.974666
"480736"	717.229066	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M-2H+Na"	20.974666
"859632"	253.059466	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-2H+Na"	20.974666
"1631354"	253.059466	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Na-2H"	20.974666
"108860"	249.065863	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M-H+Cl"	33.962126
"540887"	365.108263	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M-H+Cl"	33.962126
"940599"	133.023463	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-H+Cl"	33.962126
"272229"	499.139002	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+Cl"	34.969402
"664285"	731.223802	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+Cl"	34.969402
"1274135"	267.054202	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Cl"	34.969402
"17179"	501.118206	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M-2H+K"	36.948606
"457711"	733.203006	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M-2H+K"	36.948606
"834785"	269.033406	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-2H+K"	36.948606
"1560095"	269.033406	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+K-2H"	36.948606
"945791"	277.082994	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-H+HCOOH"	44.998194
"373485"	509.167801	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+HCOOH-H"	44.998201
"358828"	523.183451	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+Hac-H"	59.013851
"1501097"	291.098651	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Hac-H"	59.013851
"973014"	299.064951	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-H+NaCOOH"	66.980151
"123382"	267.054202	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+2Cl"	69.938804
"556380"	383.096602	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+2Cl"	69.938804
"1023720"	151.011802	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2Cl"	69.938804
"1243665"	311.003685	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Br"	78.918885
"1305385"	313.059672	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Cl+HCOOH"	80.974872
"1325440"	335.041629	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Cl+NaCOOH"	102.956829
"920872"	345.070386	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M-H+CF3COOH"	112.985586
"1301226"	381.047064	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Cl+CF3COOH"	148.962264
"1380116"	197.072124	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H-2H2O"	-35.012676
"1398377"	215.0821	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H-H2O"	-17.0027
"294748"	465.176876	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+H"	1.007276
"685350"	697.261676	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+H"	1.007276
"1362794"	233.092076	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H"	1.007276
"135683"	233.092076	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+2H"	2.014552
"571962"	349.134476	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+2H"	2.014552
"1046229"	117.049676	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2H"	2.014552
"216684"	155.730476	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+3H"	3.021828
"656976"	233.092076	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+3H"	3.021828
"1176195"	78.368876	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+3H"	3.021828
"437280"	482.203423	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+NH4"	18.033823
"797180"	714.288223	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+NH4"	18.033823
"1691321"	250.118623	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+NH4"	18.033823
"340692"	241.6053495	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+H+NH4"	19.041099
"732020"	357.6477495	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+H+NH4"	19.041099
"1483654"	125.5629495	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H+NH4"	19.041099
"397961"	487.158818	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+Na"	22.989218
"758956"	719.243618	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+Na"	22.989218
"1609239"	255.074018	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Na"	22.989218
"319277"	244.083047	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+H+Na"	23.996494
"713885"	360.125447	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+H+Na"	23.996494
"1468801"	128.040647	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H+Na"	23.996494
"1057674"	85.69619	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2H+Na"	25.00377
"1260446"	265.118286	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+CH3OH+H"	33.033486
"386675"	503.132758	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+K"	38.963158
"748763"	735.217558	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+K"	38.963158
"1547538"	271.047958	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+K"	38.963158
"304713"	252.070017	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+H+K"	39.970434
"697136"	368.112417	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+H+K"	39.970434
"1448769"	136.027617	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H+K"	39.970434
"249037"	506.203426	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+ACN+H"	42.033826
"1221017"	274.118626	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+ACN+H"	42.033826
"1208184"	137.562951	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+ACN+2H"	43.041102
"202147"	509.14076	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+2Na-H"	44.97116
"641347"	741.22556	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+2Na-H"	44.97116
"1144487"	277.05596	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2Na-H"	44.97116
"180851"	255.074018	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+2Na"	45.978436
"622597"	371.116418	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+2Na"	45.978436
"1126103"	139.031618	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2Na"	45.978436
"1400881"	93.023504	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H+2Na"	46.985712
"1431175"	279.097546	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H+HCOOH"	47.012746
"227069"	260.10704	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+3H2O+2H"	56.04448
"1512945"	293.14959	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+IsoProp+H"	61.06479
"419193"	263.060988	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+Na+K"	61.952376
"780191"	379.103388	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+Na+K"	61.952376
"1674332"	147.018588	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Na+K"	61.952376
"264135"	528.185368	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+ACN+Na"	64.015768
"1239033"	296.100568	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+ACN+Na"	64.015768
"1727553"	296.124093	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+NH4+HCOOH"	64.039293
"1191086"	100.350818	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+3Na"	68.967654
"1665311"	301.079488	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Na+HCOOH"	68.994688
"172091"	541.08864	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+2K-H"	76.91904
"609584"	773.17344	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+2K-H"	76.91904
"1091911"	309.00384	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2K-H"	76.91904
"147636"	271.047958	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"2M+2K"	77.926316
"588288"	387.090358	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"3M+2K"	77.926316
"1072804"	155.005558	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2K"	77.926316
"1106012"	311.018392	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2K+H"	78.933592
"1344587"	311.106007	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+DMSO+H"	79.021207
"1015303"	315.145176	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2ACN+H"	83.060376
"1531241"	316.138808	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+IsoProp+Na+H"	84.054008
"992947"	158.076226	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+2ACN+2H"	84.067652
"1591098"	317.053428	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+K+HCOOH"	84.968628
"1414817"	347.084938	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+H+CF3COOH"	115.000138
"1148145"	178.589501	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+3ACN+2H"	125.094202
"1699886"	364.111485	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+NH4+CF3COOH"	132.026685
"1637724"	369.06688	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+Na+CF3COOH"	136.98208
"1579938"	385.04082	"C05079"	"Nalidixic acid"	"C12H12N2O3"	"232.0848"	"M+K+CF3COOH"	152.95602
"803741"	612.2319	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M"	0
"983836"	593.21351	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-H2O-H"	-19.01839
"66614"	407.147324	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M-3H"	-3.021828
"503336"	611.224624	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M-3H"	-3.021828
"883976"	203.070024	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-3H"	-3.021828
"11302"	611.224624	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M-2H"	-2.014552
"449767"	917.340574	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M-2H"	-2.014552
"829757"	305.108674	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-2H"	-2.014552
"90845"	1223.456524	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M-H"	-1.007276
"526034"	1835.688424	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M-H"	-1.007276
"904926"	611.224624	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-H"	-1.007276
"51646"	1240.483071	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M-2H+NH4"	16.019271
"495584"	1852.714971	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M-2H+NH4"	16.019271
"873386"	628.251171	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-2H+NH4"	16.019271
"40195"	1245.438466	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M-2H+Na"	20.974666
"481943"	1857.670366	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M-2H+Na"	20.974666
"855369"	633.206566	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-2H+Na"	20.974666
"1630371"	633.206566	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Na-2H"	20.974666
"107994"	629.212963	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M-H+Cl"	33.962126
"539902"	935.328913	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M-H+Cl"	33.962126
"936696"	323.097013	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-H+Cl"	33.962126
"274162"	1259.433202	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+Cl"	34.969402
"667678"	1871.665102	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+Cl"	34.969402
"1278988"	647.201302	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Cl"	34.969402
"23730"	1261.412406	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M-2H+K"	36.948606
"462197"	1873.644306	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M-2H+K"	36.948606
"843278"	649.180506	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-2H+K"	36.948606
"1562394"	649.180506	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+K-2H"	36.948606
"950277"	657.230094	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-H+HCOOH"	44.998194
"371773"	1269.462001	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+HCOOH-H"	44.998201
"357480"	1283.477651	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+Hac-H"	59.013851
"1499023"	671.245751	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Hac-H"	59.013851
"966565"	679.212051	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-H+NaCOOH"	66.980151
"120940"	647.201302	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+2Cl"	69.938804
"556126"	953.317252	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+2Cl"	69.938804
"1023102"	341.085352	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2Cl"	69.938804
"1242802"	691.150785	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Br"	78.918885
"1308411"	693.206772	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Cl+HCOOH"	80.974872
"1326645"	715.188729	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Cl+NaCOOH"	102.956829
"913689"	725.217486	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M-H+CF3COOH"	112.985586
"1293317"	761.194164	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Cl+CF3COOH"	148.962264
"1370020"	577.219224	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H-2H2O"	-35.012676
"1387152"	595.2292	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H-H2O"	-17.0027
"287567"	1225.471076	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+H"	1.007276
"679992"	1837.702976	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+H"	1.007276
"1356344"	613.239176	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H"	1.007276
"135794"	613.239176	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+2H"	2.014552
"573168"	919.355126	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+2H"	2.014552
"1041967"	307.123226	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2H"	2.014552
"213147"	409.161876	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+3H"	3.021828
"651613"	613.239176	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+3H"	3.021828
"1170832"	205.084576	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+3H"	3.021828
"431922"	1242.497623	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+NH4"	18.033823
"790731"	1854.729523	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+NH4"	18.033823
"1689244"	630.265723	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+NH4"	18.033823
"333151"	621.7524495	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+H+NH4"	19.041099
"725569"	927.8683995	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+H+NH4"	19.041099
"1477933"	315.6364995	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H+NH4"	19.041099
"396975"	1247.453018	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+Na"	22.989218
"757974"	1859.684918	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+Na"	22.989218
"1604978"	635.221118	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Na"	22.989218
"316470"	624.230147	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+H+Na"	23.996494
"709622"	930.346097	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+H+Na"	23.996494
"1463443"	318.114197	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H+Na"	23.996494
"1058877"	212.41189	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2H+Na"	25.00377
"1260554"	645.265386	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+CH3OH+H"	33.033486
"385695"	1263.426958	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+K"	38.963158
"746690"	1875.658858	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+K"	38.963158
"1546557"	651.195058	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+K"	38.963158
"307014"	632.217117	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+H+K"	39.970434
"704906"	938.333067	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+H+K"	39.970434
"1457633"	326.101167	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H+K"	39.970434
"244047"	1266.497626	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+ACN+H"	42.033826
"1222225"	654.265726	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+ACN+H"	42.033826
"1208296"	327.636501	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+ACN+2H"	43.041102
"202259"	1269.43496	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+2Na-H"	44.97116
"640727"	1881.66686	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+2Na-H"	44.97116
"1142046"	657.20306	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2Na-H"	44.97116
"183880"	635.221118	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+2Na"	45.978436
"623801"	941.337068	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+2Na"	45.978436
"1126213"	329.105168	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2Na"	45.978436
"1408281"	219.739204	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H+2Na"	46.985712
"1434199"	659.244646	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H+HCOOH"	47.012746
"231557"	640.25414	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+3H2O+2H"	56.04448
"1516339"	673.29669	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+IsoProp+H"	61.06479
"414931"	643.208088	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+Na+K"	61.952376
"777021"	949.324038	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+Na+K"	61.952376
"1674443"	337.092138	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Na+K"	61.952376
"262055"	1288.479568	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+ACN+Na"	64.015768
"1235858"	676.247668	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+ACN+Na"	64.015768
"1724744"	676.271193	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+NH4+HCOOH"	64.039293
"1186816"	227.066518	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+3Na"	68.967654
"1657075"	681.226588	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Na+HCOOH"	68.994688
"164670"	1301.38284	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+2K-H"	76.91904
"604227"	1913.61474	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+2K-H"	76.91904
"1096398"	689.15094	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2K-H"	76.91904
"145559"	651.195058	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"2M+2K"	77.926316
"591682"	957.311008	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"3M+2K"	77.926316
"1082392"	345.079108	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2K"	77.926316
"1111591"	691.165492	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2K+H"	78.933592
"1351018"	691.253107	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+DMSO+H"	79.021207
"1021046"	695.292276	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2ACN+H"	83.060376
"1532444"	696.285908	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+IsoProp+Na+H"	84.054008
"994519"	348.149776	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+2ACN+2H"	84.067652
"1592302"	697.200528	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+K+HCOOH"	84.968628
"1416869"	727.232038	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+H+CF3COOH"	115.000138
"1148615"	368.663051	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+3ACN+2H"	125.094202
"1705464"	744.258585	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+NH4+CF3COOH"	132.026685
"1637834"	749.21398	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+Na+CF3COOH"	136.98208
"1580048"	765.18792	"C05080"	"Novobiocin"	"C31H36N2O11"	"612.2319"	"M+K+CF3COOH"	152.95602
"803851"	1201.8414	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M"	0
"987592"	1182.82301	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-H2O-H"	-19.01839
"67817"	800.220324	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M-3H"	-3.021828
"508471"	1200.834124	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M-3H"	-3.021828
"889553"	399.606524	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-3H"	-3.021828
"11408"	1200.834124	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M-2H"	-2.014552
"450970"	1801.754824	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M-2H"	-2.014552
"828773"	599.913424	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-2H"	-2.014552
"89858"	2402.675524	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M-H"	-1.007276
"529420"	3604.516924	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M-H"	-1.007276
"907221"	1200.834124	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-H"	-1.007276
"55035"	2419.702071	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M-2H+NH4"	16.019271
"491316"	3621.543471	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M-2H+NH4"	16.019271
"868026"	1217.860671	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-2H+NH4"	16.019271
"35929"	2424.657466	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M-2H+Na"	20.974666
"476584"	3626.498866	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M-2H+Na"	20.974666
"854385"	1222.816066	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-2H+Na"	20.974666
"1628293"	1222.816066	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Na-2H"	20.974666
"102635"	1218.822463	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M-H+Cl"	33.962126
"540012"	1819.743163	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M-H+Cl"	33.962126
"940086"	617.901763	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-H+Cl"	33.962126
"275365"	2438.652202	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+Cl"	34.969402
"671068"	3640.493602	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+Cl"	34.969402
"1280191"	1236.810802	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Cl"	34.969402
"27120"	2440.631406	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M-2H+K"	36.948606
"460121"	3642.472806	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M-2H+K"	36.948606
"843388"	1238.790006	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-2H+K"	36.948606
"1564691"	1238.790006	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+K-2H"	36.948606
"950387"	1246.839594	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-H+HCOOH"	44.998194
"371883"	2448.681001	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+HCOOH-H"	44.998201
"357590"	2462.696651	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+Hac-H"	59.013851
"1499497"	1260.855251	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Hac-H"	59.013851
"966675"	1268.821551	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-H+NaCOOH"	66.980151
"121051"	1236.810802	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+2Cl"	69.938804
"557694"	1837.731502	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+2Cl"	69.938804
"1024307"	635.890102	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2Cl"	69.938804
"1244614"	1280.760285	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Br"	78.918885
"1306698"	1282.816272	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Cl+HCOOH"	80.974872
"1323472"	1304.798229	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Cl+NaCOOH"	102.956829
"915259"	1314.826986	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M-H+CF3COOH"	112.985586
"1292698"	1350.803664	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Cl+CF3COOH"	148.962264
"1370493"	1166.828724	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H-2H2O"	-35.012676
"1385443"	1184.8387	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H-H2O"	-17.0027
"286950"	2404.690076	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+H"	1.007276
"680830"	3606.531476	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+H"	1.007276
"1360829"	1202.848676	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H"	1.007276
"136998"	1202.848676	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+2H"	2.014552
"573278"	1803.769376	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+2H"	2.014552
"1046450"	601.927976	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2H"	2.014552
"216540"	802.234876	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+3H"	3.021828
"653912"	1202.848676	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+3H"	3.021828
"1174228"	401.621076	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+3H"	3.021828
"432033"	2421.716623	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+NH4"	18.033823
"793026"	3623.558023	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+NH4"	18.033823
"1688263"	1219.875223	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+NH4"	18.033823
"335447"	1211.3619495	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+H+NH4"	19.041099
"725680"	1812.2826495	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+H+NH4"	19.041099
"1477921"	610.4412495	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H+NH4"	19.041099
"397088"	2426.672018	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+Na"	22.989218
"759176"	3628.513418	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+Na"	22.989218
"1606181"	1224.830618	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Na"	22.989218
"315125"	1213.839647	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+H+Na"	23.996494
"708518"	1814.760347	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+H+Na"	23.996494
"1462826"	612.918947	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H+Na"	23.996494
"1058987"	408.94839	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2H+Na"	25.00377
"1258479"	1234.874886	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+CH3OH+H"	33.033486
"384712"	2442.645958	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+K"	38.963158
"750083"	3644.487358	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+K"	38.963158
"1546667"	1240.804558	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+K"	38.963158
"308217"	1221.826617	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+H+K"	39.970434
"701737"	1822.747317	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+H+K"	39.970434
"1455555"	620.905917	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H+K"	39.970434
"244157"	2445.716626	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+ACN+H"	42.033826
"1217961"	1243.875226	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+ACN+H"	42.033826
"1206218"	622.441251	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+ACN+2H"	43.041102
"199087"	2448.65396	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+2Na-H"	44.97116
"643022"	3650.49536	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+2Na-H"	44.97116
"1141063"	1246.81256	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2Na-H"	44.97116
"183259"	1224.830618	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+2Na"	45.978436
"621723"	1825.751318	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+2Na"	45.978436
"1121948"	623.909918	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2Na"	45.978436
"1407658"	416.275704	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H+2Na"	46.985712
"1434309"	1248.854146	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H+HCOOH"	47.012746
"231302"	1229.86364	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+3H2O+2H"	56.04448
"1512440"	1262.90619	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+IsoProp+H"	61.06479
"415408"	1232.817588	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+Na+K"	61.952376
"774947"	1833.738288	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+Na+K"	61.952376
"1668360"	631.896888	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Na+K"	61.952376
"258887"	2467.698568	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+ACN+Na"	64.015768
"1235971"	1265.857168	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+ACN+Na"	64.015768
"1723396"	1265.880693	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+NH4+HCOOH"	64.039293
"1185833"	423.603018	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+3Na"	68.967654
"1657185"	1270.836088	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Na+HCOOH"	68.994688
"164780"	2480.60184	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+2K-H"	76.91904
"608713"	3682.44324	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+2K-H"	76.91904
"1096508"	1278.76044	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2K-H"	76.91904
"145669"	1240.804558	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"2M+2K"	77.926316
"591792"	1841.725258	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"3M+2K"	77.926316
"1082866"	639.883858	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2K"	77.926316
"1111701"	1280.774992	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2K+H"	78.933592
"1350766"	1280.862607	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+DMSO+H"	79.021207
"1020873"	1284.901776	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2ACN+H"	83.060376
"1531461"	1285.895408	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+IsoProp+Na+H"	84.054008
"994629"	642.954526	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+2ACN+2H"	84.067652
"1591319"	1286.810028	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+K+HCOOH"	84.968628
"1416979"	1316.841538	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+H+CF3COOH"	115.000138
"1149455"	663.467801	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+3ACN+2H"	125.094202
"1706667"	1333.868085	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+NH4+CF3COOH"	132.026685
"1637944"	1338.82348	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+Na+CF3COOH"	136.98208
"1580158"	1354.79742	"C05086"	"Cyclosporin A;Ciclosporin;Cyclosporine"	"C62H111N11O12"	"1201.8414"	"M+K+CF3COOH"	152.95602
"807241"	146.0691	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M"	0
"988430"	127.05071	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H2O-H"	-19.01839
"66834"	96.372124	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-3H"	-3.021828
"505301"	145.061824	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-3H"	-3.021828
"888570"	47.682424	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-3H"	-3.021828
"13706"	145.061824	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H"	-2.014552
"447798"	218.096374	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H"	-2.014552
"824507"	72.027274	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H"	-2.014552
"88875"	291.130924	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-H"	-1.007276
"529529"	437.200024	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-H"	-1.007276
"904051"	145.061824	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H"	-1.007276
"52958"	308.157471	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H+NH4"	16.019271
"489602"	454.226571	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H+NH4"	16.019271
"867042"	162.088371	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H+NH4"	16.019271
"39318"	313.112866	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H+Na"	20.974666
"476694"	459.181966	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H+Na"	20.974666
"854495"	167.043766	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H+Na"	20.974666
"1629496"	167.043766	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na-2H"	20.974666
"104931"	163.050163	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-H+Cl"	33.962126
"537935"	236.084713	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-H+Cl"	33.962126
"935823"	90.015613	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+Cl"	33.962126
"270008"	327.107602	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Cl"	34.969402
"667898"	473.176702	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+Cl"	34.969402
"1280301"	181.038502	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl"	34.969402
"23950"	329.086806	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H+K"	36.948606
"461324"	475.155906	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H+K"	36.948606
"841311"	183.017706	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H+K"	36.948606
"1562614"	183.017706	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K-2H"	36.948606
"947581"	191.067294	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+HCOOH"	44.998194
"371993"	337.136401	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+HCOOH-H"	44.998201
"354784"	351.152051	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Hac-H"	59.013851
"1499971"	205.082951	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Hac-H"	59.013851
"965692"	213.049251	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+NaCOOH"	66.980151
"119702"	181.038502	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2Cl"	69.938804
"558537"	254.073052	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2Cl"	69.938804
"1030612"	108.003952	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2Cl"	69.938804
"1246546"	224.987985	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Br"	78.918885
"1309362"	227.043972	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl+HCOOH"	80.974872
"1323951"	249.025929	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl+NaCOOH"	102.956829
"914643"	259.054686	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+CF3COOH"	112.985586
"1293540"	295.031364	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl+CF3COOH"	148.962264
"1370608"	111.056424	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H-2H2O"	-35.012676
"1384825"	129.0664	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H-H2O"	-17.0027
"287792"	293.145476	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H"	1.007276
"680212"	439.214576	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H"	1.007276
"1359847"	147.076376	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H"	1.007276
"137109"	147.076376	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2H"	2.014552
"573389"	220.110926	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2H"	2.014552
"1046561"	74.041826	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2H"	2.014552
"215554"	98.386676	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+3H"	3.021828
"652927"	147.076376	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+3H"	3.021828
"1171053"	49.696976	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+3H"	3.021828
"434328"	310.172023	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+NH4"	18.033823
"794230"	456.241123	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+NH4"	18.033823
"1683634"	164.102923	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+NH4"	18.033823
"336653"	155.5896495	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H+NH4"	19.041099
"725792"	228.6241995	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H+NH4"	19.041099
"1478884"	82.5550995	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+NH4"	19.041099
"399383"	315.127418	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Na"	22.989218
"759288"	461.196518	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+Na"	22.989218
"1606658"	169.058318	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na"	22.989218
"317061"	158.067347	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H+Na"	23.996494
"707899"	231.101897	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H+Na"	23.996494
"1462569"	85.032797	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+Na"	23.996494
"1053994"	57.02429	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2H+Na"	25.00377
"1259682"	179.102586	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+CH3OH+H"	33.033486
"380809"	331.101358	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+K"	38.963158
"744721"	477.170458	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+K"	38.963158
"1546778"	185.032258	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K"	38.963158
"311609"	166.054317	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H+K"	39.970434
"700751"	239.088867	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H+K"	39.970434
"1455666"	93.019767	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+K"	39.970434
"242081"	334.172026	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+ACN+H"	42.033826
"1220258"	188.102926	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+ACN+H"	42.033826
"1207787"	94.555101	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+ACN+2H"	43.041102
"199197"	337.10936	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2Na-H"	44.97116
"642768"	483.17846	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2Na-H"	44.97116
"1142266"	191.04026	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2Na-H"	44.97116
"184098"	169.058318	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2Na"	45.978436
"622927"	242.092868	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2Na"	45.978436
"1124245"	96.023768	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2Na"	45.978436
"1408862"	64.351604	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+2Na"	46.985712
"1434420"	193.081846	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+HCOOH"	47.012746
"234328"	174.09134	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+3H2O+2H"	56.04448
"1514373"	207.13389	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+IsoProp+H"	61.06479
"416246"	177.045288	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Na+K"	61.952376
"777244"	250.079838	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+Na+K"	61.952376
"1676853"	104.010738	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na+K"	61.952376
"260817"	356.153968	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+ACN+Na"	64.015768
"1233529"	210.084868	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+ACN+Na"	64.015768
"1722778"	210.108393	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+NH4+HCOOH"	64.039293
"1185946"	71.678918	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+3Na"	68.967654
"1658026"	215.063788	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na+HCOOH"	68.994688
"167073"	369.05724	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2K-H"	76.91904
"603357"	515.12634	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2K-H"	76.91904
"1096616"	222.98814	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2K-H"	76.91904
"145780"	185.032258	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2K"	77.926316
"596277"	258.066808	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2K"	77.926316
"1082975"	111.997708	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2K"	77.926316
"1108531"	225.002692	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2K+H"	78.933592
"1351282"	225.090307	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+DMSO+H"	79.021207
"1020616"	229.129476	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2ACN+H"	83.060376
"1533757"	230.123108	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+IsoProp+Na+H"	84.054008
"994739"	115.068376	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2ACN+2H"	84.067652
"1591429"	231.037728	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K+HCOOH"	84.968628
"1419274"	261.069238	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+CF3COOH"	115.000138
"1148837"	135.581651	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+3ACN+2H"	125.094202
"1706777"	278.095785	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+NH4+CF3COOH"	132.026685
"1638054"	283.05118	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na+CF3COOH"	136.98208
"1580268"	299.02512	"C05100"	"3-Ureidoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K+CF3COOH"	152.95602
"807352"	398.3549	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M"	0
"981982"	379.33651	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"68037"	264.562657333333	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"514158"	397.347624	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"888677"	131.777690666667	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"5067"	397.347624	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"446814"	596.525074	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"825710"	198.170174	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"86798"	795.702524	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"521986"	1194.057424	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"896507"	397.347624	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"49060"	812.729071	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"487404"	1211.083971	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"866053"	414.374171	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"32867"	817.684466	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"473524"	1216.039366	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"856793"	419.329566	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1626327"	419.329566	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"99576"	415.335963	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"543511"	614.513413	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"932654"	216.158513	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"272304"	831.679202	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"663633"	1230.034102	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1281503"	433.324302	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"24060"	833.658406	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"462526"	1232.013306	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"840331"	435.303506	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1566004"	435.303506	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"950607"	443.353094	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"367728"	841.708001	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"350156"	855.723651	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1500446"	457.368751	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"969080"	465.335051	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"117988"	433.324302	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"556818"	632.501752	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1034001"	234.146852	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1250302"	477.273785	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1307295"	479.329772	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1322966"	501.311729	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"914751"	511.340486	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1289639"	547.317164	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1368888"	363.342224	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1384936"	381.3522	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"286808"	797.717076	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"685796"	1196.071976	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1359956"	399.362176	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H"	1.007276
"138312"	399.362176	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"577509"	598.539626	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1046308"	200.184726	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"215667"	266.577209333333	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"654134"	399.362176	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1173354"	133.792242666667	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"433345"	814.743623	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"794340"	1213.098523	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1685569"	416.388723	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"335669"	407.8754495	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"726270"	607.0528995	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1480454"	208.6979995	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"395487"	819.699018	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"758671"	1218.053918	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1604947"	421.344118	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"315713"	410.353147	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"711051"	609.530597	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1467057"	211.175697	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1060301"	141.119556666667	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1264168"	431.388386	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"381651"	835.672958	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"741553"	1234.027858	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1546885"	437.318058	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+K"	38.963158
"305157"	418.340117	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"700863"	617.517567	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1453589"	219.162667	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"244377"	838.743626	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1218180"	440.388726	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1200968"	220.698001	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"198214"	841.68096	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"634494"	1240.03586	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1139093"	443.32606	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"180196"	421.344118	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"617571"	620.521568	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1119982"	222.166668	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1402412"	148.446870666667	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1432464"	445.367646	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"234687"	426.37714	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1522504"	459.41969	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"421824"	429.331088	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"778447"	628.508538	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1671492"	230.153638	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"260200"	860.725568	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1236191"	462.370668	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1721794"	462.394193	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1182775"	155.774184666667	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1662875"	467.349588	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"171806"	873.62884	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"605654"	1271.98374	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1096726"	475.27394	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"146981"	437.318058	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"586544"	636.495508	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1079805"	238.140608	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1108641"	477.288492	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1348306"	477.376107	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1012462"	481.415276	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1529494"	482.408908	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"994851"	241.211276	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1589355"	483.323528	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1417564"	513.355038	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1149681"	261.724551	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1703607"	530.381585	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1642539"	535.33698	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1580379"	551.31092	"C05103"	"4alpha-Methylzymosterol"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"801952"	384.3392	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M"	0
"980999"	365.32081	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"64867"	255.218857333333	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"507707"	383.331924	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"888789"	127.105790666667	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"4083"	383.331924	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"449109"	575.501524	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"826913"	191.162324	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"86904"	767.671124	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"518812"	1152.010324	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"896731"	383.331924	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"49897"	784.697671	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"488364"	1169.036871	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"865073"	400.358471	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"31607"	789.653066	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"471961"	1173.992266	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"849040"	405.313866	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1618690"	405.313866	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"96403"	401.320263	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"540339"	593.489863	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"938228"	209.150663	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"274600"	803.647802	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"662645"	1187.987002	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1274322"	419.308602	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"20889"	805.627006	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"461542"	1189.966206	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"838254"	421.287806	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1556997"	421.287806	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"944880"	429.337394	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"363094"	813.676601	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"347343"	827.692251	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1497273"	443.353051	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"965908"	451.319351	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"110805"	419.308602	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"550732"	611.478202	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1028644"	227.139002	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1249317"	463.258085	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1308498"	465.314072	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1324900"	487.296029	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"915958"	497.324786	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1290113"	533.301464	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1369734"	349.326524	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1386139"	367.3365	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"292387"	769.685676	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"689186"	1154.024876	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1362255"	385.346476	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H"	1.007276
"136237"	385.346476	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"574704"	577.516076	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1047512"	193.176876	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"216870"	257.233409333333	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"657526"	385.346476	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1173826"	129.120342666667	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"432364"	786.712223	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"789346"	1171.051423	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1687136"	402.373023	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"335779"	393.8597495	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"723136"	586.0293495	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1481658"	201.6901495	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"398879"	791.667618	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"756960"	1176.006818	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1603715"	407.328418	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"315458"	396.337447	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"707753"	588.507047	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1462179"	204.167847	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1054579"	136.447656666667	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1257715"	417.372686	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"378478"	807.641558	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"741296"	1191.980758	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1541895"	423.302358	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+K"	38.963158
"306363"	404.324417	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"697691"	596.494017	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1448594"	212.154817	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"241208"	810.712226	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1218290"	426.373026	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1197798"	213.690151	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"196138"	813.64956	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"633511"	1197.98876	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1135924"	429.31036	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"177025"	407.328418	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"613303"	599.498018	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1117904"	215.158818	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1399364"	143.774970666667	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1430749"	431.351946	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"224340"	412.36144	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1518970"	445.40399	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"419748"	415.315388	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"779651"	607.484988	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1674886"	223.145788	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"258125"	832.694168	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1235207"	448.354968	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1721906"	448.378493	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1188353"	151.102284666667	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1662985"	453.333888	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"162920"	845.59744	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"603574"	1229.93664	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1091368"	461.25824	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"147091"	423.302358	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"586654"	615.471958	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1076635"	231.132758	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1105471"	463.272792	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1341855"	463.360407	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1009292"	467.399576	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1526323"	468.393208	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"996055"	234.203426	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1590557"	469.307828	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1415488"	499.339338	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1149791"	254.716701	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1703717"	516.365885	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1643743"	521.32128	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1580489"	537.29522	"C05104"	"delta724-Cholestadien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"803198"	382.3236	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M"	0
"981109"	363.30521	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-H2O-H"	-19.01839
"68257"	253.875124	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M-3H"	-3.021828
"512193"	381.316324	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M-3H"	-3.021828
"887806"	126.433924	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-3H"	-3.021828
"8567"	381.316324	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M-2H"	-2.014552
"448125"	572.478124	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M-2H"	-2.014552
"828847"	190.154524	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-2H"	-2.014552
"91756"	763.639924	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M-H"	-1.007276
"522204"	1145.963524	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M-H"	-1.007276
"897449"	381.316324	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-H"	-1.007276
"47818"	780.666471	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M-2H+NH4"	16.019271
"488108"	1162.990071	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M-2H+NH4"	16.019271
"865665"	398.342871	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-2H+NH4"	16.019271
"32474"	785.621866	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M-2H+Na"	20.974666
"473365"	1167.945466	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M-2H+Na"	20.974666
"848985"	403.298266	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-2H+Na"	20.974666
"1619981"	403.298266	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Na-2H"	20.974666
"95419"	399.304663	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M-H+Cl"	33.962126
"540449"	590.466463	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M-H+Cl"	33.962126
"939067"	208.142863	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-H+Cl"	33.962126
"274710"	799.616602	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+Cl"	34.969402
"662755"	1181.940202	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+Cl"	34.969402
"1275525"	417.293002	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Cl"	34.969402
"22093"	801.595806	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M-2H+K"	36.948606
"462745"	1183.919406	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M-2H+K"	36.948606
"838364"	419.272206	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-2H+K"	36.948606
"1557469"	419.272206	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+K-2H"	36.948606
"943895"	427.321794	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-H+HCOOH"	44.998194
"362838"	809.645401	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+HCOOH-H"	44.998201
"348181"	823.661051	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+Hac-H"	59.013851
"1498111"	441.337451	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Hac-H"	59.013851
"966018"	449.303751	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-H+NaCOOH"	66.980151
"111277"	417.293002	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+2Cl"	69.938804
"551570"	608.454802	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+2Cl"	69.938804
"1026566"	226.131202	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2Cl"	69.938804
"1249427"	461.242485	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Br"	78.918885
"1309702"	463.298472	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Cl+HCOOH"	80.974872
"1328293"	485.280429	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Cl+NaCOOH"	102.956829
"916070"	495.309186	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M-H+CF3COOH"	112.985586
"1292778"	531.285864	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Cl+CF3COOH"	148.962264
"1372032"	347.310924	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H-2H2O"	-35.012676
"1389531"	365.3209	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H-H2O"	-17.0027
"294684"	765.654476	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+H"	1.007276
"683829"	1147.978076	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+H"	1.007276
"1359083"	383.330876	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H"	1.007276
"134158"	383.330876	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+2H"	2.014552
"576998"	574.492676	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+2H"	2.014552
"1046890"	192.169076	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2H"	2.014552
"216981"	255.889676	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+3H"	3.021828
"654357"	383.330876	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+3H"	3.021828
"1169199"	128.448476	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+3H"	3.021828
"431378"	782.681023	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+NH4"	18.033823
"789457"	1165.004623	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+NH4"	18.033823
"1685789"	400.357423	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+NH4"	18.033823
"334066"	391.8441495	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+H+NH4"	19.041099
"724667"	583.0059495	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+H+NH4"	19.041099
"1481768"	200.6823495	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H+NH4"	19.041099
"397896"	787.636418	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+Na"	22.989218
"757798"	1169.960018	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+Na"	22.989218
"1606991"	405.312818	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Na"	22.989218
"314836"	394.321847	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+H+Na"	23.996494
"710179"	585.483647	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+H+Na"	23.996494
"1461680"	203.160047	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H+Na"	23.996494
"1057244"	135.77579	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2H+Na"	25.00377
"1260744"	415.357086	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+CH3OH+H"	33.033486
"378223"	803.610358	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+K"	38.963158
"739462"	1185.933958	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+K"	38.963158
"1542004"	421.286758	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+K"	38.963158
"299908"	402.308817	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+H+K"	39.970434
"694519"	593.470617	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+H+K"	39.970434
"1451622"	211.147017	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H+K"	39.970434
"244598"	806.681026	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+ACN+H"	42.033826
"1219493"	424.357426	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+ACN+H"	42.033826
"1201187"	212.682351	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+ACN+2H"	43.041102
"199528"	809.61836	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+2Na-H"	44.97116
"636901"	1191.94196	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+2Na-H"	44.97116
"1137126"	427.29476	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2Na-H"	44.97116
"176043"	405.312818	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+2Na"	45.978436
"613538"	596.474618	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+2Na"	45.978436
"1120203"	214.151018	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2Na"	45.978436
"1398536"	143.103104	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H+2Na"	46.985712
"1429977"	429.336346	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H+HCOOH"	47.012746
"222264"	410.34584	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+3H2O+2H"	56.04448
"1522121"	443.38839	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+IsoProp+H"	61.06479
"422048"	413.299788	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+Na+K"	61.952376
"776482"	604.461588	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+Na+K"	61.952376
"1672811"	222.137988	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Na+K"	61.952376
"258234"	828.662968	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+ACN+Na"	64.015768
"1232038"	446.339368	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+ACN+Na"	64.015768
"1725298"	446.362893	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+NH4+HCOOH"	64.039293
"1190652"	150.430418	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+3Na"	68.967654
"1658356"	451.318288	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Na+HCOOH"	68.994688
"168499"	841.56624	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+2K-H"	76.91904
"604780"	1223.88984	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+2K-H"	76.91904
"1091479"	459.24264	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2K-H"	76.91904
"148298"	421.286758	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"2M+2K"	77.926316
"587857"	612.448558	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"3M+2K"	77.926316
"1076745"	230.124958	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2K"	77.926316
"1107768"	461.257192	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2K+H"	78.933592
"1340870"	461.344807	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+DMSO+H"	79.021207
"1009401"	465.383976	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2ACN+H"	83.060376
"1525706"	466.377608	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+IsoProp+Na+H"	84.054008
"995070"	233.195626	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+2ACN+2H"	84.067652
"1590668"	467.292228	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+K+HCOOH"	84.968628
"1415595"	497.323738	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+H+CF3COOH"	115.000138
"1149901"	253.708901	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+3ACN+2H"	125.094202
"1703827"	514.350285	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+NH4+CF3COOH"	132.026685
"1641665"	519.30568	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+Na+CF3COOH"	136.98208
"1580599"	535.27962	"C05107"	"7-Dehydrodesmosterol;Cholesta-5724-triene-3beta-ol"	"C27H42O"	"382.3236"	"M+K+CF3COOH"	152.95602
"802943"	412.3705	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M"	0
"985592"	393.35211	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"70555"	273.906390666667	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"510116"	411.363224	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"893384"	136.449557333333	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"15118"	411.363224	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"451516"	617.548474	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"830416"	205.177974	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"89315"	823.733724	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"522312"	1236.104224	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"896226"	411.363224	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"48536"	840.760271	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"489069"	1253.130771	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"865657"	428.389771	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"32338"	845.715666	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"472310"	1258.086166	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"857124"	433.345166	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1628846"	433.345166	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"105373"	429.351563	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"543840"	635.536813	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"935169"	223.166313	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"272998"	859.710402	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"665054"	1272.080902	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1280739"	447.339902	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"25118"	861.689606	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"465044"	1274.060106	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"840660"	449.319106	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1557582"	449.319106	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"946561"	457.368694	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"365139"	869.739201	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"350118"	883.754851	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1497858"	471.384351	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"967224"	479.350651	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"113579"	447.339902	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"557149"	653.525152	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1028863"	241.154652	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1246621"	491.289385	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1312000"	493.345372	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1321841"	515.327329	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"920555"	525.356086	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1292888"	561.332764	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1373235"	377.357824	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1388548"	395.3678	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"294794"	825.748276	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"685034"	1238.118776	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1360288"	413.377776	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"136456"	413.377776	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"578203"	619.563026	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1049188"	207.192526	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"217089"	275.920942666667	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"655559"	413.377776	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1169309"	138.464109333333	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"428572"	842.774823	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"789567"	1255.145323	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1686629"	430.404323	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"334542"	421.8910495	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"725507"	628.0762995	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1483336"	215.7057995	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"398735"	847.730218	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"758638"	1260.100718	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1606737"	435.359718	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"315311"	424.368747	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"710289"	630.553997	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1462523"	218.183497	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1057354"	145.791423333333	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1261220"	445.403986	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"379794"	863.704158	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"741885"	1276.074658	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1542847"	451.333658	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"305489"	432.355717	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"701191"	638.540967	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1453920"	226.170467	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"242526"	866.774826	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1220699"	454.404326	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1201300"	227.705801	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"193079"	869.71216	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"635922"	1282.08266	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1139423"	457.34166	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"177247"	435.359718	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"614741"	641.544968	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1116421"	229.174468	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1399459"	153.118737333333	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1430968"	459.383246	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"220673"	440.39274	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1521743"	473.43529	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"417782"	443.346688	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"780965"	649.531938	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1668546"	237.161438	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"258345"	888.756768	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1235427"	476.386268	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1721034"	476.409793	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1187481"	160.446051333333	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1662476"	481.365188	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"168609"	901.66004	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"602705"	1314.03054	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1089404"	489.28954	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"146221"	451.333658	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"592342"	657.518908	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1076855"	245.148408	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1111159"	491.304092	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1342075"	491.391707	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1006597"	495.430876	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1526179"	496.424508	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"991169"	248.219076	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1592962"	497.339128	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1418622"	527.370638	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1150011"	268.732351	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1700656"	544.397185	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1634169"	549.35258	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1580709"	565.32652	"C05108"	"14-Demethyllanosterol;44-Dimethyl-5alpha-cholesta-824-dien-3beta-ol;44-Dimethyl-824-cholestadienol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"807793"	428.4018	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M"	0
"985702"	409.38341	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-H2O-H"	-19.01839
"69572"	284.593924	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M-3H"	-3.021828
"513507"	427.394524	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M-3H"	-3.021828
"894587"	141.793324	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-3H"	-3.021828
"15395"	427.394524	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M-2H"	-2.014552
"454786"	641.595424	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M-2H"	-2.014552
"829431"	213.193624	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-2H"	-2.014552
"92341"	855.796324	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M-H"	-1.007276
"527888"	1284.198124	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M-H"	-1.007276
"897552"	427.394524	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-H"	-1.007276
"55692"	872.822871	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M-2H+NH4"	16.019271
"496346"	1301.224671	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M-2H+NH4"	16.019271
"870868"	444.421071	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-2H+NH4"	16.019271
"32816"	877.778266	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M-2H+Na"	20.974666
"474203"	1306.180066	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M-2H+Na"	20.974666
"855048"	449.376466	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-2H+Na"	20.974666
"1630778"	449.376466	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Na-2H"	20.974666
"104389"	445.382863	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M-H+Cl"	33.962126
"541764"	659.583763	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M-H+Cl"	33.962126
"936372"	231.181963	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-H+Cl"	33.962126
"273837"	891.773002	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+Cl"	34.969402
"665164"	1320.174802	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+Cl"	34.969402
"1281942"	463.371202	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Cl"	34.969402
"23408"	893.752206	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M-2H+K"	36.948606
"465153"	1322.154006	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M-2H+K"	36.948606
"841862"	465.350406	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-2H+K"	36.948606
"1558785"	465.350406	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+K-2H"	36.948606
"946671"	473.399994	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-H+HCOOH"	44.998194
"365614"	901.801801	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+HCOOH-H"	44.998201
"353144"	915.817451	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+Hac-H"	59.013851
"1500884"	487.415651	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Hac-H"	59.013851
"967336"	495.381951	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-H+NaCOOH"	66.980151
"114053"	463.371202	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+2Cl"	69.938804
"560175"	677.572102	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+2Cl"	69.938804
"1032253"	249.170302	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2Cl"	69.938804
"1246367"	507.320685	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Br"	78.918885
"1312110"	509.376672	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Cl+HCOOH"	80.974872
"1323045"	531.358629	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Cl+NaCOOH"	102.956829
"921758"	541.387386	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M-H+CF3COOH"	112.985586
"1296279"	577.364064	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Cl+CF3COOH"	148.962264
"1377720"	393.389124	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H-2H2O"	-35.012676
"1391938"	411.3991	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H-H2O"	-17.0027
"294905"	857.810876	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+H"	1.007276
"682958"	1286.212676	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+H"	1.007276
"1359305"	429.409076	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H"	1.007276
"132194"	429.409076	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+2H"	2.014552
"568472"	643.609976	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+2H"	2.014552
"1046018"	215.208176	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2H"	2.014552
"215013"	286.608476	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+3H"	3.021828
"653482"	429.409076	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+3H"	3.021828
"1171606"	143.807876	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+3H"	3.021828
"426132"	874.837423	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+NH4"	18.033823
"788221"	1303.239223	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+NH4"	18.033823
"1684554"	446.435623	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+NH4"	18.033823
"335017"	437.9223495	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+H+NH4"	19.041099
"726345"	652.1232495	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+H+NH4"	19.041099
"1479800"	223.7214495	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H+NH4"	19.041099
"398845"	879.792818	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+Na"	22.989218
"758749"	1308.194618	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+Na"	22.989218
"1605754"	451.391018	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Na"	22.989218
"316879"	440.400047	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+H+Na"	23.996494
"710399"	654.600947	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+H+Na"	23.996494
"1464577"	226.199147	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H+Na"	23.996494
"1057464"	151.13519	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2H+Na"	25.00377
"1262423"	461.435286	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+CH3OH+H"	33.033486
"377593"	895.766758	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+K"	38.963158
"740902"	1324.168558	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+K"	38.963158
"1541863"	467.364958	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+K"	38.963158
"302319"	448.387017	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+H+K"	39.970434
"704581"	662.587917	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+H+K"	39.970434
"1455124"	234.186117	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H+K"	39.970434
"245916"	898.837426	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+ACN+H"	42.033826
"1220810"	470.435626	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+ACN+H"	42.033826
"1203598"	235.721451	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+ACN+2H"	43.041102
"195376"	901.77476	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+2Na-H"	44.97116
"639311"	1330.17656	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+2Na-H"	44.97116
"1145000"	473.37296	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2Na-H"	44.97116
"182824"	451.391018	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+2Na"	45.978436
"616917"	665.591918	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+2Na"	45.978436
"1119327"	237.190118	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2Na"	45.978436
"1401028"	158.462504	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H+2Na"	46.985712
"1431198"	475.414546	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H+HCOOH"	47.012746
"223577"	456.42404	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+3H2O+2H"	56.04448
"1520759"	489.46659	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+IsoProp+H"	61.06479
"417892"	459.377988	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+Na+K"	61.952376
"776701"	673.578888	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+Na+K"	61.952376
"1667562"	245.177088	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Na+K"	61.952376
"257362"	920.819368	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+ACN+Na"	64.015768
"1228977"	492.417568	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+ACN+Na"	64.015768
"1720051"	492.441093	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+NH4+HCOOH"	64.039293
"1185404"	165.789818	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+3Na"	68.967654
"1660763"	497.396488	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Na+HCOOH"	68.994688
"172244"	933.72264	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+2K-H"	76.91904
"605000"	1362.12444	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+2K-H"	76.91904
"1091701"	505.32084	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2K-H"	76.91904
"149611"	467.364958	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"2M+2K"	77.926316
"592452"	681.565858	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"3M+2K"	77.926316
"1080245"	253.164058	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2K"	77.926316
"1107988"	507.335392	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2K+H"	78.933592
"1342185"	507.423007	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+DMSO+H"	79.021207
"1009622"	511.462176	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2ACN+H"	83.060376
"1525682"	512.455808	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+IsoProp+Na+H"	84.054008
"992373"	256.234726	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+2ACN+2H"	84.067652
"1588088"	513.370428	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+K+HCOOH"	84.968628
"1418732"	543.401938	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+H+CF3COOH"	115.000138
"1150121"	276.748001	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+3ACN+2H"	125.094202
"1697355"	560.428485	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+NH4+CF3COOH"	132.026685
"1634351"	565.38388	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+Na+CF3COOH"	136.98208
"1580819"	581.35782	"C05109"	"2425-Dihydrolanosterol"	"C30H52O"	"428.4018"	"M+K+CF3COOH"	152.95602
"811183"	400.3705	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M"	0
"988002"	381.35211	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"76246"	265.906390666667	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"518238"	399.363224	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"895591"	132.449557333333	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"13643"	399.363224	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"455625"	599.548474	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"832747"	199.177974	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"90268"	799.733724	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"531279"	1200.104224	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"904708"	399.363224	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"54707"	816.760271	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"495363"	1217.130771	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"873167"	416.389771	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"32321"	821.715666	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"478447"	1222.086166	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"862450"	421.345166	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1633078"	421.345166	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"107053"	417.351563	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"545885"	617.536813	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"937577"	217.166313	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"276865"	835.710402	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"670742"	1236.080902	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1284970"	435.339902	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"24613"	837.689606	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"466360"	1238.060106	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"840881"	437.319106	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1562178"	437.319106	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"950061"	445.368694	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"368277"	845.739201	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"351428"	859.754851	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1496252"	459.384351	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"970725"	467.350651	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"117446"	435.339902	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"561380"	635.525152	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1032364"	235.154652	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1249757"	479.289385	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1307472"	481.345372	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1332635"	503.327329	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"920777"	513.356086	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1299672"	549.332764	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1374552"	365.357824	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1392049"	383.3678	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"292829"	801.748276	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"680882"	1202.118776	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1358321"	401.377776	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"131575"	401.377776	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"568582"	601.563026	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1047223"	201.192526	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"214034"	267.920942666667	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"647396"	401.377776	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1166250"	134.464109333333	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"425999"	818.774823	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"790518"	1219.145323	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1686851"	418.404323	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"335127"	409.8910495	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"726821"	610.0762995	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1480274"	209.7057995	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"398956"	823.730218	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"759220"	1224.100718	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1605864"	423.359718	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"318447"	412.368747	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"710870"	612.553997	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1465416"	212.183497	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1056478"	141.791423333333	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1259252"	433.403986	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"378918"	839.704158	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"739916"	1240.074658	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1545253"	439.333658	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"299149"	420.355717	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"699224"	620.540967	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1453047"	220.170467	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"243839"	842.774826	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1215453"	442.404326	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1204803"	221.705801	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"200588"	845.71216	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"641971"	1246.08266	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1142926"	445.34166	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"181839"	423.359718	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"617026"	623.544968	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1123812"	223.174468	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1401868"	149.118737333333	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1435077"	447.383246	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"221135"	428.39274	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1519778"	461.43529	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"416912"	431.346688	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"780093"	631.531938	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1677150"	231.161438	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"259660"	864.756768	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1232369"	464.386268	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1720162"	464.409793	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1185515"	156.446051333333	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1664156"	469.365188	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"171018"	877.66004	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"607298"	1278.03054	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1095092"	477.28954	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"149722"	439.333658	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"595602"	639.518908	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1083843"	239.148408	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1109191"	479.304092	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1347762"	479.391707	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1013014"	483.430876	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1526764"	484.424508	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"996494"	242.219076	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1596462"	485.339128	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1419937"	515.370638	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1148165"	262.732351	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1697229"	532.397185	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1634825"	537.35258	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1580929"	553.32652	"C05110"	"4alpha-Methylcholesta-8-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"804732"	400.3705	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M"	0
"987017"	381.35211	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"77205"	265.906390666667	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"517009"	399.363224	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"895410"	132.449557333333	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"15453"	399.363224	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"452941"	599.548474	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"831722"	199.177974	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"91837"	799.733724	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"529204"	1200.104224	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"908100"	399.363224	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"52996"	816.760271	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"493286"	1217.130771	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"873277"	416.389771	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"38994"	821.715666	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"475277"	1222.086166	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"862195"	421.345166	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1633924"	421.345166	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"106070"	417.351563	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"545266"	617.536813	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"937687"	217.166313	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"277703"	835.710402	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"669759"	1236.080902	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1281799"	435.339902	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"26909"	837.689606	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"464280"	1238.060106	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"840991"	437.319106	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1561559"	437.319106	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"947983"	445.368694	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"365835"	845.739201	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"350445"	859.754851	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1498550"	459.384351	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"968284"	467.350651	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"120836"	435.339902	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"560397"	635.525152	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1031381"	235.154652	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1250960"	479.289385	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1307218"	481.345372	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1330919"	503.327329	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"927038"	513.356086	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1303672"	549.332764	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1375756"	365.357824	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1396533"	383.3678	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"296218"	801.748276	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"689738"	1202.118776	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1362807"	401.377776	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"137881"	401.377776	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"574161"	601.563026	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1047334"	201.192526	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"218154"	267.920942666667	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"658077"	401.377776	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1170736"	134.464109333333	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"428541"	818.774823	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"790630"	1219.145323	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1688054"	418.404323	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"337426"	409.8910495	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"732034"	610.0762995	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1485851"	209.7057995	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"403437"	823.730218	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"764432"	1224.100718	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1609253"	423.359718	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"321476"	412.368747	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"711345"	612.553997	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1468812"	212.183497	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1057683"	141.791423333333	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1263736"	433.403986	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"380125"	839.704158	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"743309"	1240.074658	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1546457"	439.333658	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"303633"	420.355717	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"697149"	620.540967	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1453157"	220.170467	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"248686"	842.774826	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1223217"	442.404326	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1208926"	221.705801	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"203944"	845.71216	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"643540"	1246.08266	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1146526"	445.34166	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"187056"	423.359718	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"624791"	623.544968	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1131055"	223.174468	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1407446"	149.118737333333	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1442479"	447.383246	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"223798"	428.39274	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1521706"	461.43529	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"415920"	431.346688	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"783117"	631.531938	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1676531"	231.161438	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"257585"	864.756768	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1234666"	464.386268	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1720271"	464.409793	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1191092"	156.446051333333	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1664268"	469.365188	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"168940"	877.66004	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"606317"	1278.03054	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1093016"	477.28954	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"156029"	439.333658	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"595955"	639.518908	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1083505"	239.148408	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1109301"	479.304092	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1347872"	479.391707	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1016404"	483.430876	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1529061"	484.424508	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"998791"	242.219076	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1593292"	485.339128	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1425514"	515.370638	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1147545"	262.732351	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1697457"	532.397185	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1634814"	537.35258	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1581039"	553.32652	"C05111"	"Methostenol;4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"813594"	310.1218	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M"	0
"987128"	291.10341	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-H2O-H"	-19.01839
"73182"	205.740590666667	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M-3H"	-3.021828
"512746"	309.114524	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M-3H"	-3.021828
"894675"	102.366657333333	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-3H"	-3.021828
"14588"	309.114524	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M-2H"	-2.014552
"451238"	464.175424	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M-2H"	-2.014552
"828675"	154.053624	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-2H"	-2.014552
"90124"	619.236324	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M-H"	-1.007276
"528219"	929.358124	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M-H"	-1.007276
"900556"	309.114524	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-H"	-1.007276
"53836"	636.262871	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M-2H+NH4"	16.019271
"491210"	946.384671	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M-2H+NH4"	16.019271
"866825"	326.141071	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-2H+NH4"	16.019271
"38011"	641.218266	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M-2H+Na"	20.974666
"475388"	951.340066	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M-2H+Na"	20.974666
"859025"	331.096466	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-2H+Na"	20.974666
"1630015"	331.096466	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Na-2H"	20.974666
"105087"	327.102863	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M-H+Cl"	33.962126
"544647"	482.163763	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M-H+Cl"	33.962126
"938528"	172.041963	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-H+Cl"	33.962126
"278906"	655.213002	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+Cl"	34.969402
"669868"	965.334802	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+Cl"	34.969402
"1283368"	345.091202	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Cl"	34.969402
"26655"	657.192206	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M-2H+K"	36.948606
"465485"	967.314006	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M-2H+K"	36.948606
"844383"	347.070406	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-2H+K"	36.948606
"1562400"	347.070406	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+K-2H"	36.948606
"947366"	355.119994	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-H+HCOOH"	44.998194
"362419"	665.241801	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+HCOOH-H"	44.998201
"349462"	679.257451	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+Hac-H"	59.013851
"1496838"	369.135651	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Hac-H"	59.013851
"968395"	377.101951	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-H+NaCOOH"	66.980151
"117665"	345.091202	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+2Cl"	69.938804
"560143"	500.152102	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+2Cl"	69.938804
"1030399"	190.030302	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2Cl"	69.938804
"1252164"	389.040685	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Br"	78.918885
"1307692"	391.096672	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Cl+HCOOH"	80.974872
"1332123"	413.078629	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Cl+NaCOOH"	102.956829
"924643"	423.107386	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M-H+CF3COOH"	112.985586
"1302810"	459.084064	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Cl+CF3COOH"	148.962264
"1379147"	275.109124	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H-2H2O"	-35.012676
"1395550"	293.1191	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H-H2O"	-17.0027
"295235"	621.250876	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+H"	1.007276
"683289"	931.372676	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+H"	1.007276
"1358544"	311.129076	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H"	1.007276
"133619"	311.129076	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+2H"	2.014552
"573178"	466.189976	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+2H"	2.014552
"1047444"	156.068176	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2H"	2.014552
"217533"	207.755142666667	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+3H"	3.021828
"651627"	311.129076	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+3H"	3.021828
"1170846"	104.381209333333	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+3H"	3.021828
"429745"	638.277423	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+NH4"	18.033823
"787822"	948.399223	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+NH4"	18.033823
"1688165"	328.155623	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+NH4"	18.033823
"334255"	319.6423495	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+H+NH4"	19.041099
"728864"	474.7032495	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+H+NH4"	19.041099
"1482682"	164.5814495	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H+NH4"	19.041099
"402455"	643.232818	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+Na"	22.989218
"763451"	953.354618	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+Na"	22.989218
"1604990"	333.111018	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Na"	22.989218
"320489"	322.120047	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+H+Na"	23.996494
"709633"	477.180947	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+H+Na"	23.996494
"1467829"	167.059147	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H+Na"	23.996494
"1056700"	111.708523333333	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2H+Na"	25.00377
"1263847"	343.155286	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+CH3OH+H"	33.033486
"379142"	659.206758	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+K"	38.963158
"747794"	969.328558	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+K"	38.963158
"1546568"	349.084958	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+K"	38.963158
"302650"	330.107017	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+H+K"	39.970434
"698354"	485.167917	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+H+K"	39.970434
"1453268"	175.046117	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H+K"	39.970434
"248800"	662.277426	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+ACN+H"	42.033826
"1223694"	352.155626	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+ACN+H"	42.033826
"1207212"	176.581451	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+ACN+2H"	43.041102
"203124"	665.21476	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+2Na-H"	44.97116
"642194"	975.33656	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+2Na-H"	44.97116
"1143878"	355.09296	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2Na-H"	44.97116
"186802"	333.111018	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+2Na"	45.978436
"625630"	488.171918	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+2Na"	45.978436
"1129869"	178.050118	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2Na"	45.978436
"1408650"	119.035837333333	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H+2Na"	46.985712
"1441131"	357.134546	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H+HCOOH"	47.012746
"225002"	338.14404	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+3H2O+2H"	56.04448
"1521086"	371.18659	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+IsoProp+H"	61.06479
"413845"	341.097988	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+Na+K"	61.952376
"782862"	496.158888	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+Na+K"	61.952376
"1671175"	186.037088	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Na+K"	61.952376
"254417"	684.259368	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+ACN+Na"	64.015768
"1235870"	374.137568	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+ACN+Na"	64.015768
"1721476"	374.161093	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+NH4+HCOOH"	64.039293
"1190111"	126.363151333333	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+3Na"	68.967654
"1661098"	379.116488	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Na+HCOOH"	68.994688
"167960"	697.16264	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+2K-H"	76.91904
"606427"	1007.28444	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+2K-H"	76.91904
"1095313"	387.04084	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2K-H"	76.91904
"153224"	349.084958	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"2M+2K"	77.926316
"594973"	504.145858	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"3M+2K"	77.926316
"1081670"	194.024058	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2K"	77.926316
"1110505"	389.055392	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2K+H"	78.933592
"1346889"	389.143007	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+DMSO+H"	79.021207
"1014327"	393.182176	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2ACN+H"	83.060376
"1534638"	394.175808	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+IsoProp+Na+H"	84.054008
"1001087"	197.094726	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+2ACN+2H"	84.067652
"1596681"	395.090428	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+K+HCOOH"	84.968628
"1426718"	425.121938	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+H+CF3COOH"	115.000138
"1148263"	217.608001	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+3ACN+2H"	125.094202
"1697244"	442.148485	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+NH4+CF3COOH"	132.026685
"1634924"	447.10388	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+Na+CF3COOH"	136.98208
"1581149"	463.07782	"C05113"	"Porphyrin"	"C20H14N4"	"310.1218"	"M+K+CF3COOH"	152.95602
"815774"	853.152	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M"	0
"988213"	834.13361	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H2O-H"	-19.01839
"77427"	567.760724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-3H"	-3.021828
"515043"	852.144724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-3H"	-3.021828
"894667"	283.376724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-3H"	-3.021828
"14337"	852.144724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H"	-2.014552
"452073"	1278.720724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H"	-2.014552
"829881"	425.568724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H"	-2.014552
"90959"	1705.296724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H"	-1.007276
"525052"	2558.448724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H"	-1.007276
"905040"	852.144724	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H"	-1.007276
"52856"	1722.323271	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+NH4"	16.019271
"494603"	2575.475271	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+NH4"	16.019271
"870224"	869.171271	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+NH4"	16.019271
"38124"	1727.278666	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+Na"	20.974666
"480966"	2580.430666	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+Na"	20.974666
"863675"	874.126666	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+Na"	20.974666
"1633165"	874.126666	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na-2H"	20.974666
"105562"	870.133063	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H+Cl"	33.962126
"545490"	1296.709063	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H+Cl"	33.962126
"932076"	443.557063	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+Cl"	33.962126
"279747"	1741.273402	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Cl"	34.969402
"671076"	2594.425402	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Cl"	34.969402
"1285303"	888.121402	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl"	34.969402
"30295"	1743.252606	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+K"	36.948606
"470463"	2596.404606	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+K"	36.948606
"846923"	890.100606	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+K"	36.948606
"1565792"	890.100606	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K-2H"	36.948606
"948935"	898.150194	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+HCOOH"	44.998194
"370795"	1751.302201	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+HCOOH-H"	44.998201
"351762"	1765.317851	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Hac-H"	59.013851
"1503515"	912.165851	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Hac-H"	59.013851
"964494"	920.132151	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+NaCOOH"	66.980151
"120696"	888.121402	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Cl"	69.938804
"560984"	1314.697402	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Cl"	69.938804
"1034885"	461.545402	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Cl"	69.938804
"1249001"	932.070885	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Br"	78.918885
"1318386"	934.126872	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+HCOOH"	80.974872
"1332239"	956.108829	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+NaCOOH"	102.956829
"922199"	966.137586	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+CF3COOH"	112.985586
"1301462"	1002.114264	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+CF3COOH"	148.962264
"1380351"	818.139324	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-2H2O"	-35.012676
"1393473"	836.1493	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-H2O"	-17.0027
"287696"	1707.311276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H"	1.007276
"686678"	2560.463276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H"	1.007276
"1357559"	854.159276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H"	1.007276
"127167"	854.159276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2H"	2.014552
"575474"	1280.735276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2H"	2.014552
"1049740"	427.583276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H"	2.014552
"218008"	569.775276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H"	3.021828
"656841"	854.159276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+3H"	3.021828
"1166583"	285.391276	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3H"	3.021828
"428761"	1724.337823	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+NH4"	18.033823
"787567"	2577.489823	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+NH4"	18.033823
"1683899"	871.185823	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4"	18.033823
"330719"	862.6725495	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+NH4"	19.041099
"726057"	1289.2485495	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+NH4"	19.041099
"1482795"	436.0965495	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+NH4"	19.041099
"396371"	1729.293218	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na"	22.989218
"757362"	2582.445218	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na"	22.989218
"1606190"	876.141218	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na"	22.989218
"318416"	865.150247	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+Na"	23.996494
"709744"	1291.726247	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+Na"	23.996494
"1465752"	438.574247	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+Na"	23.996494
"1060091"	292.71859	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H+Na"	25.00377
"1260676"	886.185486	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+CH3OH+H"	33.033486
"382533"	1745.267158	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+K"	38.963158
"746811"	2598.419158	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+K"	38.963158
"1546679"	892.115158	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K"	38.963158
"308229"	873.137217	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+K"	39.970434
"700649"	1299.713217	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+K"	39.970434
"1455563"	446.561217	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+K"	39.970434
"248176"	1748.337826	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+H"	42.033826
"1221249"	895.185826	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+H"	42.033826
"1205498"	448.096551	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+2H"	43.041102
"202016"	1751.27516	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na-H"	44.97116
"639753"	2604.42716	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na-H"	44.97116
"1142166"	898.12316	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na-H"	44.97116
"183267"	876.141218	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na"	45.978436
"623919"	1302.717218	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na"	45.978436
"1121596"	449.565218	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na"	45.978436
"1407668"	300.045904	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+2Na"	46.985712
"1443073"	900.164746	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+HCOOH"	47.012746
"233872"	881.17424	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H2O+2H"	56.04448
"1523020"	914.21679	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+H"	61.06479
"421984"	884.128188	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na+K"	61.952376
"783337"	1310.704188	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na+K"	61.952376
"1674566"	457.552188	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+K"	61.952376
"261083"	1770.319768	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+Na"	64.015768
"1239630"	917.167768	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+Na"	64.015768
"1726935"	917.191293	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+HCOOH"	64.039293
"1192659"	307.373218	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3Na"	68.967654
"1663762"	922.146688	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+HCOOH"	68.994688
"171354"	1783.22304	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K-H"	76.91904
"611639"	2636.37504	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K-H"	76.91904
"1097367"	930.07104	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K-H"	76.91904
"152971"	892.115158	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K"	77.926316
"592536"	1318.691158	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K"	77.926316
"1079967"	465.539158	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K"	77.926316
"1111350"	932.085592	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K+H"	78.933592
"1346642"	932.173207	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+DMSO+H"	79.021207
"1019783"	936.212376	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+H"	83.060376
"1538156"	937.206008	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+Na+H"	84.054008
"1004724"	468.609826	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+2H"	84.067652
"1600074"	938.120628	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+HCOOH"	84.968628
"1418087"	968.152138	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+CF3COOH"	115.000138
"1151657"	489.123101	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3ACN+2H"	125.094202
"1702301"	985.178685	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+CF3COOH"	132.026685
"1640140"	990.13408	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+CF3COOH"	136.98208
"1581260"	1006.10802	"C05116"	"3-Hydroxybutanoyl-CoA;3-Hydroxybutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+CF3COOH"	152.95602
"814906"	852.168	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M"	0
"981878"	833.14961	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H2O-H"	-19.01839
"75588"	567.104724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-3H"	-3.021828
"516244"	851.160724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-3H"	-3.021828
"892951"	283.048724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-3H"	-3.021828
"12619"	851.160724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H"	-2.014552
"454734"	1277.244724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H"	-2.014552
"831445"	425.076724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H"	-2.014552
"92161"	1703.328724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-H"	-1.007276
"526255"	2555.496724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-H"	-1.007276
"905150"	851.160724	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H"	-1.007276
"54060"	1720.355271	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+NH4"	16.019271
"497993"	2572.523271	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+NH4"	16.019271
"872521"	868.187271	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+NH4"	16.019271
"37141"	1725.310666	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+Na"	20.974666
"481076"	2577.478666	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+Na"	20.974666
"863867"	873.142666	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+Na"	20.974666
"1631694"	873.142666	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na-2H"	20.974666
"107859"	869.149063	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-H+Cl"	33.962126
"549654"	1295.233063	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-H+Cl"	33.962126
"936925"	443.065063	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+Cl"	33.962126
"280829"	1739.305402	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Cl"	34.969402
"672279"	2591.473402	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Cl"	34.969402
"1287361"	887.137402	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl"	34.969402
"30525"	1741.284606	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+K"	36.948606
"470446"	2593.452606	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+K"	36.948606
"846425"	889.116606	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+K"	36.948606
"1565902"	889.116606	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K-2H"	36.948606
"952689"	897.166194	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+HCOOH"	44.998194
"368717"	1749.334201	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+HCOOH-H"	44.998201
"352235"	1763.349851	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Hac-H"	59.013851
"1499249"	911.181851	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Hac-H"	59.013851
"967885"	919.148151	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+NaCOOH"	66.980151
"122993"	887.137402	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Cl"	69.938804
"562916"	1313.221402	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Cl"	69.938804
"1035725"	461.053402	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Cl"	69.938804
"1245831"	931.086885	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Br"	78.918885
"1314855"	933.142872	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+HCOOH"	80.974872
"1330164"	955.124829	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+NaCOOH"	102.956829
"924501"	965.153586	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+CF3COOH"	112.985586
"1301210"	1001.130264	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+CF3COOH"	148.962264
"1376090"	817.155324	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H-2H2O"	-35.012676
"1395771"	835.1653	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H-H2O"	-17.0027
"285617"	1705.343276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H"	1.007276
"680227"	2557.511276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H"	1.007276
"1353291"	853.175276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H"	1.007276
"128369"	853.175276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2H"	2.014552
"570118"	1279.259276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2H"	2.014552
"1045478"	427.091276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2H"	2.014552
"212285"	569.119276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+3H"	3.021828
"647108"	853.175276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+3H"	3.021828
"1166691"	285.063276	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3H"	3.021828
"428871"	1722.369823	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+NH4"	18.033823
"788041"	2574.537823	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+NH4"	18.033823
"1682547"	870.201823	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4"	18.033823
"332651"	861.6885495	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+NH4"	19.041099
"727625"	1287.7725495	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+NH4"	19.041099
"1481082"	435.6045495	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+NH4"	19.041099
"397209"	1727.325218	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Na"	22.989218
"757110"	2579.493218	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Na"	22.989218
"1605206"	875.157218	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na"	22.989218
"316336"	864.166247	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+Na"	23.996494
"714224"	1290.250247	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+Na"	23.996494
"1466953"	438.082247	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+Na"	23.996494
"1056919"	292.39059	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2H+Na"	25.00377
"1259329"	885.201486	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+CH3OH+H"	33.033486
"382644"	1743.299158	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+K"	38.963158
"749107"	2595.467158	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+K"	38.963158
"1548976"	891.131158	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K"	38.963158
"306152"	872.153217	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+K"	39.970434
"702947"	1298.237217	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+K"	39.970434
"1458954"	446.069217	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+K"	39.970434
"250110"	1746.369826	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+ACN+H"	42.033826
"1223547"	894.201826	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+H"	42.033826
"1205971"	447.604551	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+2H"	43.041102
"200666"	1749.30716	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Na-H"	44.97116
"643028"	2601.47516	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Na-H"	44.97116
"1145194"	897.13916	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Na-H"	44.97116
"181194"	875.157218	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Na"	45.978436
"622938"	1301.241218	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Na"	45.978436
"1123167"	449.073218	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Na"	45.978436
"1408872"	299.717904	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+2Na"	46.985712
"1443183"	899.180746	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+HCOOH"	47.012746
"235617"	880.19024	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+3H2O+2H"	56.04448
"1523007"	913.23279	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+IsoProp+H"	61.06479
"422826"	883.144188	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Na+K"	61.952376
"783815"	1309.228188	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Na+K"	61.952376
"1679052"	457.060188	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+K"	61.952376
"262290"	1768.351768	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+ACN+Na"	64.015768
"1238278"	916.183768	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+Na"	64.015768
"1726438"	916.207293	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4+HCOOH"	64.039293
"1193252"	307.045218	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3Na"	68.967654
"1664239"	921.162688	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+HCOOH"	68.994688
"171098"	1781.25504	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2K-H"	76.91904
"610657"	2633.42304	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2K-H"	76.91904
"1098450"	929.08704	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K-H"	76.91904
"153814"	891.131158	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2K"	77.926316
"594468"	1317.215158	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2K"	77.926316
"1080441"	465.047158	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K"	77.926316
"1113282"	931.101592	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K+H"	78.933592
"1348938"	931.189207	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+DMSO+H"	79.021207
"1018921"	935.228376	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2ACN+H"	83.060376
"1539115"	936.222008	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+IsoProp+Na+H"	84.054008
"1000213"	468.117826	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2ACN+2H"	84.067652
"1599090"	937.136628	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K+HCOOH"	84.968628
"1418197"	967.168138	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+CF3COOH"	115.000138
"1158328"	488.631101	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3ACN+2H"	125.094202
"1702411"	984.194685	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4+CF3COOH"	132.026685
"1646812"	989.15008	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+CF3COOH"	136.98208
"1581370"	1005.12402	"C05117"	"3-Aminobutanoyl-CoA;3-Aminobutyryl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K+CF3COOH"	152.95602
"816521"	291.1327	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M"	0
"988184"	272.11431	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H2O-H"	-19.01839
"74604"	193.081190666667	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M-3H"	-3.021828
"515257"	290.125424	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M-3H"	-3.021828
"891967"	96.0369573333333	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-3H"	-3.021828
"15043"	290.125424	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M-2H"	-2.014552
"454117"	435.691774	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M-2H"	-2.014552
"831919"	144.559074	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-2H"	-2.014552
"92271"	581.258124	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M-H"	-1.007276
"527459"	872.390824	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M-H"	-1.007276
"907083"	290.125424	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H"	-1.007276
"56356"	598.284671	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M-2H+NH4"	16.019271
"492634"	889.417371	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M-2H+NH4"	16.019271
"873724"	307.151971	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-2H+NH4"	16.019271
"46611"	603.240066	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M-2H+Na"	20.974666
"486628"	894.372766	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M-2H+Na"	20.974666
"863980"	312.107366	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-2H+Na"	20.974666
"1633961"	312.107366	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Na-2H"	20.974666
"109272"	308.113763	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M-H+Cl"	33.962126
"549520"	453.680113	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M-H+Cl"	33.962126
"939223"	162.547413	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H+Cl"	33.962126
"282482"	617.234802	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+Cl"	34.969402
"672391"	908.367502	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+Cl"	34.969402
"1284795"	326.102102	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Cl"	34.969402
"30511"	619.214006	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M-2H+K"	36.948606
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"848327"	328.081306	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-2H+K"	36.948606
"1566013"	328.081306	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+K-2H"	36.948606
"953892"	336.130894	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H+HCOOH"	44.998194
"373201"	627.263601	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+HCOOH-H"	44.998201
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"1508119"	350.146551	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Hac-H"	59.013851
"969819"	358.112851	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H+NaCOOH"	66.980151
"123832"	326.102102	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2Cl"	69.938804
"565336"	471.668452	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2Cl"	69.938804
"1034986"	180.535752	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2Cl"	69.938804
"1245212"	370.051585	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Br"	78.918885
"1318972"	372.107572	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Cl+HCOOH"	80.974872
"1331366"	394.089529	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Cl+NaCOOH"	102.956829
"922423"	404.118286	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H+CF3COOH"	112.985586
"1299134"	440.094964	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Cl+CF3COOH"	148.962264
"1379846"	256.120024	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H-2H2O"	-35.012676
"1392601"	274.13	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H-H2O"	-17.0027
"286821"	583.272676	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H"	1.007276
"681430"	874.405376	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H"	1.007276
"1355589"	292.139976	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H"	1.007276
"129207"	292.139976	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2H"	2.014552
"569498"	437.706326	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2H"	2.014552
"1040850"	146.573626	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2H"	2.014552
"212396"	195.095742666667	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+3H"	3.021828
"649771"	292.139976	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+3H"	3.021828
"1166436"	98.0515093333333	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+3H"	3.021828
"428980"	600.299223	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+NH4"	18.033823
"789610"	891.431923	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+NH4"	18.033823
"1685939"	309.166523	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+NH4"	18.033823
"333855"	300.6532495	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H+NH4"	19.041099
"729559"	446.2195995	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H+NH4"	19.041099
"1483014"	155.0868995	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+NH4"	19.041099
"399506"	605.254618	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+Na"	22.989218
"756493"	896.387318	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+Na"	22.989218
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"317540"	303.130947	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H+Na"	23.996494
"713241"	448.697297	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H+Na"	23.996494
"1466335"	157.564597	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+Na"	23.996494
"1056302"	105.378823333333	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2H+Na"	25.00377
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"378503"	621.228558	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+K"	38.963158
"740471"	912.361258	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+K"	38.963158
"1551275"	330.095858	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+K"	38.963158
"308449"	311.117917	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H+K"	39.970434
"704151"	456.684267	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H+K"	39.970434
"1460766"	165.551567	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+K"	39.970434
"251117"	624.299226	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+ACN+H"	42.033826
"1224633"	333.166526	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+ACN+H"	42.033826
"1207177"	167.086901	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+ACN+2H"	43.041102
"203329"	627.23656	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2Na-H"	44.97116
"641798"	918.36926	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2Na-H"	44.97116
"1146034"	336.10386	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2Na-H"	44.97116
"184220"	314.121918	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2Na"	45.978436
"624871"	459.688268	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2Na"	45.978436
"1123637"	168.555568	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2Na"	45.978436
"1406798"	112.706137333333	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+2Na"	46.985712
"1444022"	338.145446	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+HCOOH"	47.012746
"234813"	319.15494	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+3H2O+2H"	56.04448
"1520686"	352.19749	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+IsoProp+H"	61.06479
"421830"	322.108888	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+Na+K"	61.952376
"785347"	467.675238	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+Na+K"	61.952376
"1680256"	176.542538	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Na+K"	61.952376
"266048"	646.281168	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+ACN+Na"	64.015768
"1240212"	355.148468	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+ACN+Na"	64.015768
"1726547"	355.171993	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+NH4+HCOOH"	64.039293
"1193726"	120.033451333333	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+3Na"	68.967654
"1663618"	360.127388	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Na+HCOOH"	68.994688
"172301"	659.18444	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2K-H"	76.91904
"611499"	950.31714	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2K-H"	76.91904
"1097472"	368.05174	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2K-H"	76.91904
"153561"	330.095858	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2K"	77.926316
"594216"	475.662208	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2K"	77.926316
"1081279"	184.529508	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2K"	77.926316
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"1347227"	370.153907	"C05118"	"S-(2-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+DMSO+H"	79.021207
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"808565"	291.1327	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M"	0
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"486859"	894.372766	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M-2H+Na"	20.974666
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"1570133"	328.081306	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+K-2H"	36.948606
"955097"	336.130894	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H+HCOOH"	44.998194
"374407"	627.263601	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+HCOOH-H"	44.998201
"357197"	641.279251	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+Hac-H"	59.013851
"1507979"	350.146551	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Hac-H"	59.013851
"969200"	358.112851	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H+NaCOOH"	66.980151
"122117"	326.102102	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2Cl"	69.938804
"562041"	471.668452	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2Cl"	69.938804
"1035216"	180.535752	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2Cl"	69.938804
"1243861"	370.051585	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Br"	78.918885
"1318717"	372.107572	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Cl+HCOOH"	80.974872
"1329290"	394.089529	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Cl+NaCOOH"	102.956829
"922534"	404.118286	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M-H+CF3COOH"	112.985586
"1299244"	440.094964	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Cl+CF3COOH"	148.962264
"1378498"	256.120024	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H-2H2O"	-35.012676
"1392711"	274.13	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H-H2O"	-17.0027
"290213"	583.272676	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H"	1.007276
"678261"	874.405376	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H"	1.007276
"1352057"	292.139976	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H"	1.007276
"128953"	292.139976	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2H"	2.014552
"570703"	437.706326	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2H"	2.014552
"1039502"	146.573626	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2H"	2.014552
"209591"	195.095742666667	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+3H"	3.021828
"650976"	292.139976	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+3H"	3.021828
"1165452"	98.0515093333333	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+3H"	3.021828
"429820"	600.299223	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+NH4"	18.033823
"789352"	891.431923	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+NH4"	18.033823
"1687144"	309.166523	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+NH4"	18.033823
"336880"	300.6532495	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H+NH4"	19.041099
"731489"	446.2195995	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H+NH4"	19.041099
"1483121"	155.0868995	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+NH4"	19.041099
"400709"	605.254618	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+Na"	22.989218
"755151"	896.387318	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+Na"	22.989218
"1603972"	314.121918	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Na"	22.989218
"315834"	303.130947	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H+Na"	23.996494
"708982"	448.697297	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H+Na"	23.996494
"1461953"	157.564597	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+Na"	23.996494
"1053254"	105.378823333333	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2H+Na"	25.00377
"1257240"	324.166186	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+CH3OH+H"	33.033486
"377883"	621.228558	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+K"	38.963158
"742769"	912.361258	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+K"	38.963158
"1551382"	330.095858	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+K"	38.963158
"306372"	311.117917	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+H+K"	39.970434
"698794"	456.684267	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+H+K"	39.970434
"1455896"	165.551567	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+K"	39.970434
"250818"	624.299226	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+ACN+H"	42.033826
"1224987"	333.166526	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+ACN+H"	42.033826
"1209478"	167.086901	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+ACN+2H"	43.041102
"203687"	627.23656	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2Na-H"	44.97116
"639720"	918.36926	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2Na-H"	44.97116
"1145780"	336.10386	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2Na-H"	44.97116
"180321"	314.121918	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2Na"	45.978436
"620973"	459.688268	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2Na"	45.978436
"1121200"	168.555568	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2Na"	45.978436
"1405818"	112.706137333333	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+2Na"	46.985712
"1443403"	338.145446	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+HCOOH"	47.012746
"234803"	319.15494	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+3H2O+2H"	56.04448
"1518975"	352.19749	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+IsoProp+H"	61.06479
"419754"	322.108888	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+Na+K"	61.952376
"781848"	467.675238	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+Na+K"	61.952376
"1680732"	176.542538	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Na+K"	61.952376
"261417"	646.281168	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+ACN+Na"	64.015768
"1236312"	355.148468	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+ACN+Na"	64.015768
"1725197"	355.171993	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+NH4+HCOOH"	64.039293
"1192741"	120.033451333333	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+3Na"	68.967654
"1663363"	360.127388	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Na+HCOOH"	68.994688
"171318"	659.18444	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2K-H"	76.91904
"608691"	950.31714	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2K-H"	76.91904
"1096124"	368.05174	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2K-H"	76.91904
"154397"	330.095858	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"2M+2K"	77.926316
"592500"	475.662208	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"3M+2K"	77.926316
"1081386"	184.529508	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2K"	77.926316
"1112044"	370.066292	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2K+H"	78.933592
"1346608"	370.153907	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+DMSO+H"	79.021207
"1018779"	374.193076	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2ACN+H"	83.060376
"1536176"	375.186708	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+IsoProp+Na+H"	84.054008
"1003716"	187.600176	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+2ACN+2H"	84.067652
"1602556"	376.101328	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+K+HCOOH"	84.968628
"1418414"	406.132838	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+H+CF3COOH"	115.000138
"1150891"	208.113451	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+3ACN+2H"	125.094202
"1701534"	423.159385	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+NH4+CF3COOH"	132.026685
"1647032"	428.11478	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+Na+CF3COOH"	136.98208
"1581590"	444.08872	"C05119"	"S-(3-Methylbutanoyl)-dihydrolipoamide"	"C13H25NO2S2"	"291.1327"	"M+K+CF3COOH"	152.95602
"810863"	515.2917	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M"	0
"976740"	496.27331	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-H2O-H"	-19.01839
"77741"	342.520524	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M-3H"	-3.021828
"517183"	514.284424	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M-3H"	-3.021828
"892187"	170.756624	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-3H"	-3.021828
"14044"	514.284424	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M-2H"	-2.014552
"453608"	771.930274	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M-2H"	-2.014552
"830316"	256.638574	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-2H"	-2.014552
"88118"	1029.576124	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M-H"	-1.007276
"527678"	1544.867824	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M-H"	-1.007276
"906210"	514.284424	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-H"	-1.007276
"56211"	1046.602671	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M-2H+NH4"	16.019271
"499781"	1561.894371	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M-2H+NH4"	16.019271
"877592"	531.310971	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-2H+NH4"	16.019271
"38564"	1051.558066	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M-2H+Na"	20.974666
"486028"	1566.849766	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M-2H+Na"	20.974666
"862862"	536.266366	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-2H+Na"	20.974666
"1633365"	536.266366	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Na-2H"	20.974666
"100902"	532.272763	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M-H+Cl"	33.962126
"543743"	789.918613	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M-H+Cl"	33.962126
"937257"	274.626913	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-H+Cl"	33.962126
"273627"	1065.552802	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+Cl"	34.969402
"670423"	1580.844502	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+Cl"	34.969402
"1274078"	550.261102	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Cl"	34.969402
"27571"	1067.532006	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M-2H+K"	36.948606
"469683"	1582.823706	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M-2H+K"	36.948606
"846391"	552.240306	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-2H+K"	36.948606
"1570243"	552.240306	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+K-2H"	36.948606
"955938"	560.289894	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-H+HCOOH"	44.998194
"374151"	1075.581601	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+HCOOH-H"	44.998201
"358399"	1089.597251	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+Hac-H"	59.013851
"1500669"	574.305551	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Hac-H"	59.013851
"964934"	582.271851	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-H+NaCOOH"	66.980151
"114936"	550.261102	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+2Cl"	69.938804
"556682"	807.906952	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+2Cl"	69.938804
"1028763"	292.615252	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2Cl"	69.938804
"1241778"	594.210585	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Br"	78.918885
"1319190"	596.266572	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Cl+HCOOH"	80.974872
"1329400"	618.248529	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Cl+NaCOOH"	102.956829
"921552"	628.277286	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M-H+CF3COOH"	112.985586
"1300447"	664.253964	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Cl+CF3COOH"	148.962264
"1378609"	480.279024	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H-2H2O"	-35.012676
"1392821"	498.289	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H-H2O"	-17.0027
"287408"	1031.590676	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+H"	1.007276
"681652"	1546.882376	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+H"	1.007276
"1353624"	516.298976	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H"	1.007276
"127972"	516.298976	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+2H"	2.014552
"569720"	773.944826	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+2H"	2.014552
"1038883"	258.653126	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2H"	2.014552
"209338"	344.535076	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+3H"	3.021828
"651087"	516.298976	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+3H"	3.021828
"1169212"	172.771176	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+3H"	3.021828
"429929"	1048.617223	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+NH4"	18.033823
"792381"	1563.908923	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+NH4"	18.033823
"1691992"	533.325523	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+NH4"	18.033823
"336993"	524.8122495	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+H+NH4"	19.041099
"731600"	782.4580995	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+H+NH4"	19.041099
"1486512"	267.1663995	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H+NH4"	19.041099
"400819"	1053.572618	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+Na"	22.989218
"755261"	1568.864318	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+Na"	22.989218
"1603478"	538.280918	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Na"	22.989218
"316673"	527.289947	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+H+Na"	23.996494
"709820"	784.935797	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+H+Na"	23.996494
"1461360"	269.644097	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H+Na"	23.996494
"1053243"	180.09849	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2H+Na"	25.00377
"1257837"	548.325186	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+CH3OH+H"	33.033486
"378602"	1069.546558	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+K"	38.963158
"743972"	1584.838258	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+K"	38.963158
"1549305"	554.254858	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+K"	38.963158
"307575"	535.276917	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+H+K"	39.970434
"701092"	792.922767	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+H+K"	39.970434
"1459895"	277.631067	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H+K"	39.970434
"250324"	1072.617226	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+ACN+H"	42.033826
"1225539"	557.325526	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+ACN+H"	42.033826
"1209468"	279.166401	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+ACN+2H"	43.041102
"203554"	1075.55456	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+2Na-H"	44.97116
"640559"	1590.84626	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+2Na-H"	44.97116
"1145890"	560.26286	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2Na-H"	44.97116
"180791"	538.280918	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+2Na"	45.978436
"619989"	795.926768	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+2Na"	45.978436
"1120581"	280.635068	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2Na"	45.978436
"1405928"	187.425804	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H+2Na"	46.985712
"1443392"	562.304446	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H+HCOOH"	47.012746
"234670"	543.31394	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+3H2O+2H"	56.04448
"1519085"	576.35649	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+IsoProp+H"	61.06479
"416584"	546.267888	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+Na+K"	61.952376
"784148"	803.913738	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+Na+K"	61.952376
"1680843"	288.622038	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Na+K"	61.952376
"262620"	1094.599168	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+ACN+Na"	64.015768
"1238611"	579.307468	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+ACN+Na"	64.015768
"1724943"	579.330993	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+NH4+HCOOH"	64.039293
"1191032"	194.753118	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+3Na"	68.967654
"1662382"	584.286388	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Na+HCOOH"	68.994688
"169972"	1107.50244	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+2K-H"	76.91904
"607709"	1622.79414	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+2K-H"	76.91904
"1097326"	592.21074	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2K-H"	76.91904
"154510"	554.254858	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"2M+2K"	77.926316
"594799"	811.900708	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"3M+2K"	77.926316
"1080768"	296.609008	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2K"	77.926316
"1113248"	594.225292	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2K+H"	78.933592
"1348906"	594.312907	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+DMSO+H"	79.021207
"1019622"	598.352076	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2ACN+H"	83.060376
"1539570"	599.345708	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+IsoProp+Na+H"	84.054008
"1001278"	299.679676	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+2ACN+2H"	84.067652
"1602343"	600.260328	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+K+HCOOH"	84.968628
"1418524"	630.291838	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+H+CF3COOH"	115.000138
"1152094"	320.192951	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+3ACN+2H"	125.094202
"1700551"	647.318385	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+NH4+CF3COOH"	132.026685
"1640580"	652.27378	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+Na+CF3COOH"	136.98208
"1581700"	668.24772	"C05122"	"Taurocholate;Taurocholic acid;Cholyltaurine"	"C26H45NO7S"	"515.2917"	"M+K+CF3COOH"	152.95602
"812066"	125.9987	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M"	0
"975878"	106.98031	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-H2O-H"	-19.01839
"76029"	82.9918573333333	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M-3H"	-3.021828
"515590"	124.991424	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M-3H"	-3.021828
"892297"	40.9922906666667	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-3H"	-3.021828
"14519"	124.991424	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M-2H"	-2.014552
"455462"	187.990774	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M-2H"	-2.014552
"831518"	61.992074	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-2H"	-2.014552
"92848"	250.990124	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M-H"	-1.007276
"528882"	376.988824	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M-H"	-1.007276
"905225"	124.991424	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-H"	-1.007276
"54498"	268.016671	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M-2H+NH4"	16.019271
"495152"	394.015371	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M-2H+NH4"	16.019271
"878308"	142.017971	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-2H+NH4"	16.019271
"40861"	272.972066	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M-2H+Na"	20.974666
"483704"	398.970766	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M-2H+Na"	20.974666
"863214"	146.973366	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-2H+Na"	20.974666
"1633356"	146.973366	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Na-2H"	20.974666
"108548"	142.979763	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M-H+Cl"	33.962126
"547133"	205.979113	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M-H+Cl"	33.962126
"938461"	79.980413	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-H+Cl"	33.962126
"274830"	286.966802	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+Cl"	34.969402
"672720"	412.965502	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+Cl"	34.969402
"1274189"	160.968102	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Cl"	34.969402
"25495"	288.946006	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M-2H+K"	36.948606
"469428"	414.944706	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M-2H+K"	36.948606
"846136"	162.947306	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-2H+K"	36.948606
"1566343"	162.947306	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+K-2H"	36.948606
"953132"	170.996894	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-H+HCOOH"	44.998194
"369160"	296.995601	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+HCOOH-H"	44.998201
"355229"	311.011251	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+Hac-H"	59.013851
"1502966"	185.012551	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Hac-H"	59.013851
"968326"	192.978851	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-H+NaCOOH"	66.980151
"119420"	160.968102	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+2Cl"	69.938804
"555699"	223.967452	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+2Cl"	69.938804
"1032153"	97.968752	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2Cl"	69.938804
"1243713"	204.917585	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Br"	78.918885
"1318565"	206.973572	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Cl+HCOOH"	80.974872
"1329510"	228.955529	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Cl+NaCOOH"	102.956829
"925308"	238.984286	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M-H+CF3COOH"	112.985586
"1299463"	274.960964	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Cl+CF3COOH"	148.962264
"1379447"	90.986024	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H-2H2O"	-35.012676
"1392931"	108.996	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H-H2O"	-17.0027
"287882"	253.004676	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+H"	1.007276
"681033"	379.003376	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+H"	1.007276
"1360299"	127.005976	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H"	1.007276
"128814"	127.005976	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+2H"	2.014552
"568373"	190.005326	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+2H"	2.014552
"1041548"	64.006626	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2H"	2.014552
"209083"	85.0064093333333	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+3H"	3.021828
"649009"	127.005976	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+3H"	3.021828
"1165673"	43.0068426666667	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+3H"	3.021828
"431862"	270.031223	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+NH4"	18.033823
"794679"	396.029923	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+NH4"	18.033823
"1691012"	144.032523	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+NH4"	18.033823
"339291"	135.5192495	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+H+NH4"	19.041099
"733897"	198.5185995	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+H+NH4"	19.041099
"1486622"	72.5198995	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H+NH4"	19.041099
"403117"	274.986618	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+Na"	22.989218
"754638"	400.985318	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+Na"	22.989218
"1603384"	148.987918	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Na"	22.989218
"316783"	137.996947	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+H+Na"	23.996494
"709931"	200.996297	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+H+Na"	23.996494
"1465572"	74.997597	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H+Na"	23.996494
"1058455"	50.3341566666667	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2H+Na"	25.00377
"1259407"	159.032186	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+CH3OH+H"	33.033486
"381991"	290.960558	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+K"	38.963158
"749549"	416.959258	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+K"	38.963158
"1550508"	164.961858	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+K"	38.963158
"309873"	145.983917	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+H+K"	39.970434
"705576"	208.983267	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+H+K"	39.970434
"1460817"	82.984567	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H+K"	39.970434
"250313"	294.031226	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+ACN+H"	42.033826
"1224479"	168.032526	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+ACN+H"	42.033826
"1209335"	84.519901	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+ACN+2H"	43.041102
"203788"	296.96856	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+2Na-H"	44.97116
"642493"	422.96726	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+2Na-H"	44.97116
"1146000"	170.96986	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2Na-H"	44.97116
"178715"	148.987918	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+2Na"	45.978436
"619007"	211.987268	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+2Na"	45.978436
"1125795"	85.988568	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2Na"	45.978436
"1408225"	57.6614706666667	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H+2Na"	46.985712
"1443989"	173.011446	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H+HCOOH"	47.012746
"235398"	154.02094	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+3H2O+2H"	56.04448
"1524062"	187.06349	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+IsoProp+H"	61.06479
"418881"	156.974888	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+Na+K"	61.952376
"780975"	219.974238	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+Na+K"	61.952376
"1677306"	93.975538	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Na+K"	61.952376
"262731"	316.013168	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+ACN+Na"	64.015768
"1238721"	190.014468	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+ACN+Na"	64.015768
"1725787"	190.037993	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+NH4+HCOOH"	64.039293
"1192601"	64.9887846666667	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+3Na"	68.967654
"1662855"	194.993388	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Na+HCOOH"	68.994688
"171539"	328.91644	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+2K-H"	76.91904
"611592"	454.91514	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+2K-H"	76.91904
"1097803"	202.91774	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2K-H"	76.91904
"154984"	164.961858	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"2M+2K"	77.926316
"594908"	227.961208	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"3M+2K"	77.926316
"1080877"	101.962508	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2K"	77.926316
"1112629"	204.932292	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2K+H"	78.933592
"1350235"	205.019907	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+DMSO+H"	79.021207
"1020463"	209.059076	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2ACN+H"	83.060376
"1539317"	210.052708	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+IsoProp+Na+H"	84.054008
"1004305"	105.033176	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+2ACN+2H"	84.067652
"1601358"	210.967328	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+K+HCOOH"	84.968628
"1418634"	240.998838	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+H+CF3COOH"	115.000138
"1153297"	125.546451	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+3ACN+2H"	125.094202
"1701754"	258.025385	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+NH4+CF3COOH"	132.026685
"1639597"	262.98078	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+Na+CF3COOH"	136.98208
"1581810"	278.95472	"C05123"	"2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;Isethionic acid;Isethionate"	"C2H6O4S"	"125.9987"	"M+K+CF3COOH"	152.95602
"812176"	469.0712	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M"	0
"975867"	450.05281	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-H2O-H"	-19.01839
"77597"	311.706857333333	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M-3H"	-3.021828
"515700"	468.063924	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M-3H"	-3.021828
"890220"	155.349790666667	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-3H"	-3.021828
"12807"	468.063924	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M-2H"	-2.014552
"451641"	702.599524	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M-2H"	-2.014552
"829077"	233.528324	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-2H"	-2.014552
"89798"	937.135124	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M-H"	-1.007276
"530815"	1406.206324	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M-H"	-1.007276
"904606"	468.063924	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-H"	-1.007276
"58980"	954.161671	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M-2H+NH4"	16.019271
"495262"	1423.232871	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M-2H+NH4"	16.019271
"877080"	485.090471	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-2H+NH4"	16.019271
"44251"	959.117066	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M-2H+Na"	20.974666
"485637"	1428.188266	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M-2H+Na"	20.974666
"863442"	490.045866	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-2H+Na"	20.974666
"1630057"	490.045866	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Na-2H"	20.974666
"109022"	486.052263	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M-H+Cl"	33.962126
"547243"	720.587863	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M-H+Cl"	33.962126
"938571"	251.516663	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-H+Cl"	33.962126
"274940"	973.111802	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+Cl"	34.969402
"671738"	1442.183002	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+Cl"	34.969402
"1277579"	504.040602	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Cl"	34.969402
"25605"	975.091006	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M-2H+K"	36.948606
"466259"	1444.162206	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M-2H+K"	36.948606
"846611"	506.019806	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-2H+K"	36.948606
"1567547"	506.019806	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+K-2H"	36.948606
"952149"	514.069394	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-H+HCOOH"	44.998194
"370363"	983.140601	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+HCOOH-H"	44.998201
"355339"	997.156251	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+Hac-H"	59.013851
"1498704"	528.085051	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Hac-H"	59.013851
"967342"	536.051351	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-H+NaCOOH"	66.980151
"118436"	504.040602	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+2Cl"	69.938804
"555809"	738.576202	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+2Cl"	69.938804
"1031170"	269.505002	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2Cl"	69.938804
"1243095"	547.990085	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Br"	78.918885
"1317947"	550.046072	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Cl+HCOOH"	80.974872
"1331806"	572.028029	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Cl+NaCOOH"	102.956829
"922866"	582.056786	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M-H+CF3COOH"	112.985586
"1299574"	618.033464	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Cl+CF3COOH"	148.962264
"1377735"	434.058524	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H-2H2O"	-35.012676
"1389761"	452.0685	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H-H2O"	-17.0027
"289450"	939.149676	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+H"	1.007276
"679685"	1408.220876	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+H"	1.007276
"1357128"	470.078476	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H"	1.007276
"128923"	470.078476	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+2H"	2.014552
"567755"	704.614076	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+2H"	2.014552
"1040563"	235.542876	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2H"	2.014552
"209192"	313.721409333333	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+3H"	3.021828
"648753"	470.078476	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+3H"	3.021828
"1163717"	157.364342666667	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+3H"	3.021828
"431972"	956.176223	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+NH4"	18.033823
"794790"	1425.247423	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+NH4"	18.033823
"1692214"	487.105023	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+NH4"	18.033823
"340494"	478.5917495	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+H+NH4"	19.041099
"736194"	713.1273495	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+H+NH4"	19.041099
"1485640"	244.0561495	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H+NH4"	19.041099
"401041"	961.131618	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+Na"	22.989218
"755600"	1430.202818	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+Na"	22.989218
"1605034"	492.060418	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Na"	22.989218
"319080"	481.069447	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+H+Na"	23.996494
"710404"	715.605047	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+H+Na"	23.996494
"1464224"	246.533847	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H+Na"	23.996494
"1056743"	164.691656666667	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2H+Na"	25.00377
"1260610"	502.104686	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+CH3OH+H"	33.033486
"383195"	977.105558	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+K"	38.963158
"752211"	1446.176758	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+K"	38.963158
"1551711"	508.034358	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+K"	38.963158
"309983"	489.056417	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+H+K"	39.970434
"705686"	723.592017	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+H+K"	39.970434
"1461132"	254.520817	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H+K"	39.970434
"249935"	980.176226	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+ACN+H"	42.033826
"1224467"	511.105026	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+ACN+H"	42.033826
"1209649"	256.056151	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+ACN+2H"	43.041102
"202557"	983.11356	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+2Na-H"	44.97116
"640778"	1452.18476	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+2Na-H"	44.97116
"1145258"	514.04236	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2Na-H"	44.97116
"177005"	492.060418	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+2Na"	45.978436
"619116"	726.596018	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+2Na"	45.978436
"1122625"	257.524818	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2Na"	45.978436
"1406148"	172.018970666667	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H+2Na"	46.985712
"1443370"	516.083946	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H+HCOOH"	47.012746
"234783"	497.09344	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+3H2O+2H"	56.04448
"1523443"	530.13599	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+IsoProp+H"	61.06479
"418991"	500.047388	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+Na+K"	61.952376
"783272"	734.582988	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+Na+K"	61.952376
"1677416"	265.511788	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Na+K"	61.952376
"264663"	1002.158168	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+ACN+Na"	64.015768
"1238831"	533.086968	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+ACN+Na"	64.015768
"1725896"	533.110493	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+NH4+HCOOH"	64.039293
"1191981"	179.346284666667	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+3Na"	68.967654
"1662969"	538.065888	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Na+HCOOH"	68.994688
"170922"	1015.06144	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+2K-H"	76.91904
"610486"	1484.13264	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+2K-H"	76.91904
"1097184"	545.99024	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2K-H"	76.91904
"155093"	508.034358	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"2M+2K"	77.926316
"595020"	742.569958	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"3M+2K"	77.926316
"1082080"	273.498758	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2K"	77.926316
"1113105"	548.004792	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2K+H"	78.933592
"1349491"	548.092407	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+DMSO+H"	79.021207
"1020087"	552.131576	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2ACN+H"	83.060376
"1538696"	553.125208	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+IsoProp+Na+H"	84.054008
"1004049"	276.569426	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+2ACN+2H"	84.067652
"1601103"	554.039828	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+K+HCOOH"	84.968628
"1418744"	584.071338	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+H+CF3COOH"	115.000138
"1153407"	297.082701	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+3ACN+2H"	125.094202
"1701864"	601.097885	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+NH4+CF3COOH"	132.026685
"1640800"	606.05328	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+Na+CF3COOH"	136.98208
"1581920"	622.02722	"C05125"	"2-(alpha-Hydroxyethyl)thiamine diphosphate;2-Hydroxyethyl-ThPP"	"C14H23N4O8P2S"	"469.0712"	"M+K+CF3COOH"	152.95602
"809006"	158.0579	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M"	0
"975977"	139.03951	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-H2O-H"	-19.01839
"74062"	104.364657333333	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M-3H"	-3.021828
"515446"	157.050624	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M-3H"	-3.021828
"890330"	51.6786906666667	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-3H"	-3.021828
"11458"	157.050624	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M-2H"	-2.014552
"452843"	236.079574	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M-2H"	-2.014552
"829551"	78.021674	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-2H"	-2.014552
"90636"	315.108524	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M-H"	-1.007276
"530925"	473.166424	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M-H"	-1.007276
"903623"	157.050624	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-H"	-1.007276
"60183"	332.135071	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M-2H+NH4"	16.019271
"494279"	490.192971	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M-2H+NH4"	16.019271
"876096"	174.077171	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-2H+NH4"	16.019271
"43267"	337.090466	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M-2H+Na"	20.974666
"479548"	495.148366	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M-2H+Na"	20.974666
"862819"	179.032566	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-2H+Na"	20.974666
"1624699"	179.032566	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Na-2H"	20.974666
"109617"	175.038963	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M-H+Cl"	33.962126
"548325"	254.067913	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M-H+Cl"	33.962126
"936493"	96.010013	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-H+Cl"	33.962126
"275050"	351.085202	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+Cl"	34.969402
"670753"	509.143102	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+Cl"	34.969402
"1279876"	193.027302	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Cl"	34.969402
"27902"	353.064406	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M-2H+K"	36.948606
"468553"	511.122306	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M-2H+K"	36.948606
"845262"	195.006506	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-2H+K"	36.948606
"1567654"	195.006506	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+K-2H"	36.948606
"952257"	203.056094	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-H+HCOOH"	44.998194
"373752"	361.114001	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+HCOOH-H"	44.998201
"357635"	375.129651	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+Hac-H"	59.013851
"1502093"	217.071751	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Hac-H"	59.013851
"964172"	225.038051	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-H+NaCOOH"	66.980151
"117453"	193.027302	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+2Cl"	69.938804
"555918"	272.056252	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+2Cl"	69.938804
"1032373"	113.998352	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2Cl"	69.938804
"1242352"	236.976785	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Br"	78.918885
"1305407"	239.032772	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Cl+HCOOH"	80.974872
"1333372"	261.014729	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Cl+NaCOOH"	102.956829
"920788"	271.043486	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M-H+CF3COOH"	112.985586
"1297495"	307.020164	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Cl+CF3COOH"	148.962264
"1373470"	123.045224	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H-2H2O"	-35.012676
"1387684"	141.0552	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H-H2O"	-17.0027
"289924"	317.123076	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+H"	1.007276
"676877"	475.180976	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+H"	1.007276
"1353226"	159.065176	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H"	1.007276
"127208"	159.065176	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+2H"	2.014552
"567498"	238.094126	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+2H"	2.014552
"1039214"	80.036226	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2H"	2.014552
"206382"	106.379209333333	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+3H"	3.021828
"645944"	159.065176	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+3H"	3.021828
"1163705"	53.6932426666667	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+3H"	3.021828
"428799"	334.149623	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+NH4"	18.033823
"789064"	492.207523	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+NH4"	18.033823
"1687584"	176.091723	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+NH4"	18.033823
"333677"	167.5784495	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+H+NH4"	19.041099
"727191"	246.6073995	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+H+NH4"	19.041099
"1479914"	88.5494995	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H+NH4"	19.041099
"396776"	339.105018	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+Na"	22.989218
"755096"	497.162918	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+Na"	22.989218
"1603197"	181.047118	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Na"	22.989218
"314686"	170.056147	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+H+Na"	23.996494
"708082"	249.085097	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+H+Na"	23.996494
"1462387"	91.027197	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H+Na"	23.996494
"1053931"	61.0205566666667	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2H+Na"	25.00377
"1258167"	191.091386	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+CH3OH+H"	33.033486
"378806"	355.078958	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+K"	38.963158
"744300"	513.136858	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+K"	38.963158
"1553644"	197.021058	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+K"	38.963158
"307904"	178.043117	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+H+K"	39.970434
"698140"	257.072067	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+H+K"	39.970434
"1460347"	99.014167	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H+K"	39.970434
"247124"	358.149626	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+ACN+H"	42.033826
"1224817"	200.091726	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+ACN+H"	42.033826
"1205907"	100.549501	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+ACN+2H"	43.041102
"200965"	361.08696	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+2Na-H"	44.97116
"638335"	519.14486	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+2Na-H"	44.97116
"1145125"	203.02906	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2Na-H"	44.97116
"174682"	181.047118	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+2Na"	45.978436
"615946"	260.076068	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+2Na"	45.978436
"1122735"	102.018168	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2Na"	45.978436
"1406258"	68.3478706666667	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H+2Na"	46.985712
"1441657"	205.070646	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H+HCOOH"	47.012746
"234634"	186.08014	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+3H2O+2H"	56.04448
"1523675"	219.12269	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+IsoProp+H"	61.06479
"416915"	189.034088	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+Na+K"	61.952376
"779008"	268.063038	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+Na+K"	61.952376
"1674246"	110.005138	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Na+K"	61.952376
"262950"	380.131568	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+ACN+Na"	64.015768
"1236751"	222.073668	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+ACN+Na"	64.015768
"1725276"	222.097193	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+NH4+HCOOH"	64.039293
"1192091"	75.6751846666667	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+3Na"	68.967654
"1663077"	227.052588	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Na+HCOOH"	68.994688
"171031"	393.03484	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+2K-H"	76.91904
"610956"	551.09274	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+2K-H"	76.91904
"1097658"	234.97694	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2K-H"	76.91904
"155566"	197.021058	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"2M+2K"	77.926316
"595129"	276.050008	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"3M+2K"	77.926316
"1081826"	117.992108	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2K"	77.926316
"1112485"	236.991492	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2K+H"	78.933592
"1349601"	237.079107	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+DMSO+H"	79.021207
"1018496"	241.118276	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2ACN+H"	83.060376
"1535890"	242.111908	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+IsoProp+Na+H"	84.054008
"1000876"	121.062776	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+2ACN+2H"	84.067652
"1597566"	243.026528	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+K+HCOOH"	84.968628
"1417761"	273.058038	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+H+CF3COOH"	115.000138
"1152424"	141.576051	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+3ACN+2H"	125.094202
"1703067"	290.084585	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+NH4+CF3COOH"	132.026685
"1640910"	295.03998	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+Na+CF3COOH"	136.98208
"1582030"	311.01392	"C05126"	"Dimethyl citraconate;Citraconic acid dimethyl ester;2-Butenedioic acid 2-methyl- dimethyl ester (Z)-;Citraconate de dimethyle;Citraconic acid dimethyl ester;Dimethyl methylmaleate;Methylmaleic acid dimethyl ester"	"C7H10O4"	"158.0579"	"M+K+CF3COOH"	152.95602
"814584"	125.0953	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M"	0
"989875"	106.07691	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H2O-H"	-19.01839
"78063"	82.3895906666667	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-3H"	-3.021828
"518510"	124.088024	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-3H"	-3.021828
"893359"	40.6911573333333	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-3H"	-3.021828
"15458"	124.088024	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H"	-2.014552
"455556"	186.635674	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H"	-2.014552
"832695"	61.540374	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H"	-2.014552
"94034"	249.183324	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-H"	-1.007276
"528119"	374.278624	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-H"	-1.007276
"907014"	124.088024	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H"	-1.007276
"54829"	266.209871	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+NH4"	16.019271
"498764"	391.305171	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+NH4"	16.019271
"876570"	141.114571	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+NH4"	16.019271
"41189"	271.165266	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+Na"	20.974666
"486996"	396.260566	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+Na"	20.974666
"861836"	146.069966	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+Na"	20.974666
"1632103"	146.069966	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na-2H"	20.974666
"107904"	142.076363	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-H+Cl"	33.962126
"547464"	204.624013	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-H+Cl"	33.962126
"934418"	79.528713	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+Cl"	33.962126
"278442"	285.160002	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Cl"	34.969402
"670865"	410.255302	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Cl"	34.969402
"1283267"	160.064702	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl"	34.969402
"26918"	287.139206	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+K"	36.948606
"467571"	412.234506	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+K"	36.948606
"846103"	162.043906	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+K"	36.948606
"1566674"	162.043906	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K-2H"	36.948606
"956740"	170.093494	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+HCOOH"	44.998194
"365114"	295.188801	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+HCOOH-H"	44.998201
"353371"	309.204451	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Hac-H"	59.013851
"1506577"	184.109151	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Hac-H"	59.013851
"968656"	192.075451	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+NaCOOH"	66.980151
"117563"	160.064702	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Cl"	69.938804
"562592"	222.612352	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Cl"	69.938804
"1029204"	97.517052	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Cl"	69.938804
"1242222"	204.014185	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Br"	78.918885
"1304306"	206.070172	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+HCOOH"	80.974872
"1327639"	228.052129	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+NaCOOH"	102.956829
"920536"	238.080886	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+CF3COOH"	112.985586
"1299793"	274.057564	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+CF3COOH"	148.962264
"1371758"	90.082624	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H-2H2O"	-35.012676
"1389984"	108.0926	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H-H2O"	-17.0027
"288577"	251.197876	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H"	1.007276
"678810"	376.293176	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H"	1.007276
"1355526"	126.102576	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H"	1.007276
"131329"	126.102576	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2H"	2.014552
"568700"	188.650226	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2H"	2.014552
"1048433"	63.554926	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2H"	2.014552
"210869"	84.4041426666667	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+3H"	3.021828
"649700"	126.102576	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+3H"	3.021828
"1169648"	42.7057093333333	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3H"	3.021828
"430002"	268.224423	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+NH4"	18.033823
"793914"	393.319723	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+NH4"	18.033823
"1686601"	143.129123	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4"	18.033823
"335246"	134.6158495	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+NH4"	19.041099
"727664"	197.1634995	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+NH4"	19.041099
"1481483"	72.0681995	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+NH4"	19.041099
"396884"	273.179818	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Na"	22.989218
"757889"	398.275118	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Na"	22.989218
"1604284"	148.084518	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na"	22.989218
"316023"	137.093547	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+Na"	23.996494
"712819"	199.641197	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+Na"	23.996494
"1464453"	74.545897	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+Na"	23.996494
"1055513"	50.0330233333333	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2H+Na"	25.00377
"1264843"	158.128786	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+CH3OH+H"	33.033486
"382324"	289.153758	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+K"	38.963158
"742225"	414.249058	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+K"	38.963158
"1547559"	164.058458	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K"	38.963158
"309109"	145.080517	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+K"	39.970434
"702991"	207.628167	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+K"	39.970434
"1458999"	82.532867	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+K"	39.970434
"245780"	292.224426	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+ACN+H"	42.033826
"1225598"	167.129126	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+H"	42.033826
"1209544"	84.068201	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+2H"	43.041102
"203506"	295.16176	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Na-H"	44.97116
"640635"	420.25706	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Na-H"	44.97116
"1137579"	170.06646	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Na-H"	44.97116
"177591"	148.084518	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Na"	45.978436
"619704"	210.632168	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Na"	45.978436
"1130501"	85.536868	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Na"	45.978436
"1413663"	57.3603373333333	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+2Na"	46.985712
"1439581"	172.108046	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+HCOOH"	47.012746
"233286"	153.11754	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+3H2O+2H"	56.04448
"1524161"	186.16009	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+IsoProp+H"	61.06479
"424122"	156.071488	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Na+K"	61.952376
"782400"	218.619138	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Na+K"	61.952376
"1677637"	93.523838	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+K"	61.952376
"258687"	314.206368	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+ACN+Na"	64.015768
"1233584"	189.111068	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+Na"	64.015768
"1725022"	189.134593	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4+HCOOH"	64.039293
"1190011"	64.6876513333333	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3Na"	68.967654
"1661000"	194.089988	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+HCOOH"	68.994688
"165671"	327.10964	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2K-H"	76.91904
"607422"	452.20494	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2K-H"	76.91904
"1094122"	202.01434	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K-H"	76.91904
"152031"	164.058458	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2K"	77.926316
"591230"	226.606108	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2K"	77.926316
"1080845"	101.510808	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K"	77.926316
"1114422"	204.028892	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K+H"	78.933592
"1345337"	204.116507	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+DMSO+H"	79.021207
"1017146"	208.155676	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2ACN+H"	83.060376
"1538432"	209.149308	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+IsoProp+Na+H"	84.054008
"1005000"	104.581476	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2ACN+2H"	84.067652
"1598773"	210.063928	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K+HCOOH"	84.968628
"1421151"	240.095438	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+CF3COOH"	115.000138
"1154720"	125.094751	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3ACN+2H"	125.094202
"1703177"	257.121985	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4+CF3COOH"	132.026685
"1641020"	262.07738	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+CF3COOH"	136.98208
"1582140"	278.05132	"C05127"	"N-Methylhistamine;1-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;Ntau-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K+CF3COOH"	152.95602
"812506"	110.048	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M"	0
"979478"	91.02961	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-H2O-H"	-19.01839
"75375"	72.3580573333333	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M-3H"	-3.021828
"514208"	109.040724	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M-3H"	-3.021828
"891644"	35.6753906666667	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-3H"	-3.021828
"11312"	109.040724	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M-2H"	-2.014552
"454524"	164.064724	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M-2H"	-2.014552
"829773"	54.016724	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-2H"	-2.014552
"92682"	219.088724	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M-H"	-1.007276
"524949"	329.136724	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M-H"	-1.007276
"904938"	109.040724	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-H"	-1.007276
"53845"	236.115271	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M-2H+NH4"	16.019271
"495592"	346.163271	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M-2H+NH4"	16.019271
"871214"	126.067271	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-2H+NH4"	16.019271
"33644"	241.070666	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M-2H+Na"	20.974666
"479768"	351.118666	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M-2H+Na"	20.974666
"857572"	131.022666	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-2H+Na"	20.974666
"1631481"	131.022666	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Na-2H"	20.974666
"103639"	127.029063	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M-H+Cl"	33.962126
"544293"	182.053063	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M-H+Cl"	33.962126
"934527"	72.005063	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-H+Cl"	33.962126
"276365"	255.065402	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+Cl"	34.969402
"667693"	365.113402	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+Cl"	34.969402
"1285201"	145.017402	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Cl"	34.969402
"28119"	257.044606	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M-2H+K"	36.948606
"470231"	367.092606	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M-2H+K"	36.948606
"845849"	146.996606	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-2H+K"	36.948606
"1567874"	146.996606	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+K-2H"	36.948606
"955393"	155.046194	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-H+HCOOH"	44.998194
"365224"	265.094201	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+HCOOH-H"	44.998201
"353481"	279.109851	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+Hac-H"	59.013851
"1502313"	169.061851	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Hac-H"	59.013851
"968765"	177.028151	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-H+NaCOOH"	66.980151
"121683"	145.017402	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+2Cl"	69.938804
"559419"	200.041402	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+2Cl"	69.938804
"1030037"	89.993402	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2Cl"	69.938804
"1243426"	188.966885	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Br"	78.918885
"1305145"	191.022872	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Cl+HCOOH"	80.974872
"1326656"	213.004829	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Cl+NaCOOH"	102.956829
"925742"	223.033586	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M-H+CF3COOH"	112.985586
"1299901"	259.010264	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Cl+CF3COOH"	148.962264
"1381706"	75.035324	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H-2H2O"	-35.012676
"1397743"	93.0453	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H-H2O"	-17.0027
"289782"	221.103276	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+H"	1.007276
"678923"	331.151276	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+H"	1.007276
"1355636"	111.055276	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H"	1.007276
"129253"	111.055276	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+2H"	2.014552
"569908"	166.079276	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+2H"	2.014552
"1038703"	56.031276	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2H"	2.014552
"208792"	74.3726093333333	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+3H"	3.021828
"648352"	111.055276	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+3H"	3.021828
"1169758"	37.6899426666667	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+3H"	3.021828
"429018"	238.129823	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+NH4"	18.033823
"791837"	348.177823	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+NH4"	18.033823
"1687077"	128.081823	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+NH4"	18.033823
"335356"	119.5685495	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+H+NH4"	19.041099
"726683"	174.5925495	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+H+NH4"	19.041099
"1479406"	64.5445495	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H+NH4"	19.041099
"395173"	243.085218	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+Na"	22.989218
"758002"	353.133218	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+Na"	22.989218
"1606098"	133.037218	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Na"	22.989218
"316135"	122.046247	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+H+Na"	23.996494
"709649"	177.070247	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+H+Na"	23.996494
"1462620"	67.022247	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H+Na"	23.996494
"1056717"	45.0172566666667	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2H+Na"	25.00377
"1257419"	143.081486	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+CH3OH+H"	33.033486
"382436"	259.059158	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+K"	38.963158
"742338"	369.107158	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+K"	38.963158
"1549859"	149.011158	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+K"	38.963158
"309223"	130.033217	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+H+K"	39.970434
"693988"	185.057217	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+H+K"	39.970434
"1454373"	75.009217	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H+K"	39.970434
"250630"	262.129826	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+ACN+H"	42.033826
"1223336"	152.081826	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+ACN+H"	42.033826
"1208557"	76.544551	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+ACN+2H"	43.041102
"197904"	265.06716	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+2Na-H"	44.97116
"633092"	375.11516	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+2Na-H"	44.97116
"1134411"	155.01916	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2Na-H"	44.97116
"177701"	133.037218	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+2Na"	45.978436
"619813"	188.061218	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+2Na"	45.978436
"1129518"	78.013218	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2Na"	45.978436
"1410856"	52.3445706666667	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H+2Na"	46.985712
"1439691"	157.060746	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H+HCOOH"	47.012746
"227198"	138.07024	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+3H2O+2H"	56.04448
"1524127"	171.11279	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+IsoProp+H"	61.06479
"424200"	141.024188	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+Na+K"	61.952376
"778136"	196.048188	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+Na+K"	61.952376
"1677747"	86.000188	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Na+K"	61.952376
"260983"	284.111768	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+ACN+Na"	64.015768
"1233692"	174.063768	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+ACN+Na"	64.015768
"1723670"	174.087293	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+NH4+HCOOH"	64.039293
"1187936"	59.6718846666667	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+3Na"	68.967654
"1655643"	179.042688	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Na+HCOOH"	68.994688
"164689"	297.01504	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+2K-H"	76.91904
"602065"	407.06304	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+2K-H"	76.91904
"1094234"	186.96704	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2K-H"	76.91904
"149957"	149.011158	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"2M+2K"	77.926316
"589517"	204.035158	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"3M+2K"	77.926316
"1079499"	93.987158	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2K"	77.926316
"1114653"	188.981592	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2K+H"	78.933592
"1344717"	189.069207	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+DMSO+H"	79.021207
"1018716"	193.108376	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2ACN+H"	83.060376
"1536476"	194.102008	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+IsoProp+Na+H"	84.054008
"1003289"	97.057826	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+2ACN+2H"	84.067652
"1599978"	195.016628	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+K+HCOOH"	84.968628
"1419074"	225.048138	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+H+CF3COOH"	115.000138
"1151550"	117.571101	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+3ACN+2H"	125.094202
"1703288"	242.074685	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+NH4+CF3COOH"	132.026685
"1634567"	247.03008	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+Na+CF3COOH"	136.98208
"1582250"	263.00402	"C05130"	"Imidazole-4-acetaldehyde;Imidazole acetaldehyde"	"C5H6N2O"	"110.048"	"M+K+CF3COOH"	152.95602
"812616"	258.0852	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M"	0
"976307"	239.06681	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-H2O-H"	-19.01839
"76579"	171.049524	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M-3H"	-3.021828
"513953"	257.077924	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M-3H"	-3.021828
"890660"	85.021124	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-3H"	-3.021828
"10329"	257.077924	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M-2H"	-2.014552
"452080"	386.120524	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M-2H"	-2.014552
"832195"	128.035324	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-2H"	-2.014552
"93645"	515.163124	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M-H"	-1.007276
"523966"	773.248324	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M-H"	-1.007276
"905048"	257.077924	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-H"	-1.007276
"50675"	532.189671	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M-2H+NH4"	16.019271
"492421"	790.274871	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M-2H+NH4"	16.019271
"871320"	274.104471	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-2H+NH4"	16.019271
"34848"	537.145066	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M-2H+Na"	20.974666
"476597"	795.230266	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M-2H+Na"	20.974666
"857679"	279.059866	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-2H+Na"	20.974666
"1630865"	279.059866	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Na-2H"	20.974666
"101562"	275.066263	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M-H+Cl"	33.962126
"544403"	404.108863	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M-H+Cl"	33.962126
"935731"	146.023663	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-H+Cl"	33.962126
"276475"	551.139802	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+Cl"	34.969402
"672177"	809.225002	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+Cl"	34.969402
"1285674"	293.054602	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Cl"	34.969402
"27134"	553.119006	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M-2H+K"	36.948606
"467789"	811.204206	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M-2H+K"	36.948606
"844497"	295.033806	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-2H+K"	36.948606
"1564704"	295.033806	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+K-2H"	36.948606
"947120"	303.083394	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-H+HCOOH"	44.998194
"365334"	561.168601	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+HCOOH-H"	44.998201
"350310"	575.184251	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+Hac-H"	59.013851
"1499143"	317.099051	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Hac-H"	59.013851
"969969"	325.065351	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-H+NaCOOH"	66.980151
"121063"	293.054602	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+2Cl"	69.938804
"559529"	422.097202	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+2Cl"	69.938804
"1030511"	164.012002	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2Cl"	69.938804
"1243901"	337.004085	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Br"	78.918885
"1307079"	339.060072	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Cl+HCOOH"	80.974872
"1326766"	361.042029	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Cl+NaCOOH"	102.956829
"923300"	371.070786	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M-H+CF3COOH"	112.985586
"1300740"	407.047464	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Cl+CF3COOH"	148.962264
"1380357"	223.072524	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H-2H2O"	-35.012676
"1393479"	241.0825	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H-H2O"	-17.0027
"285882"	517.177676	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+H"	1.007276
"681585"	775.262876	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+H"	1.007276
"1354653"	259.092476	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H"	1.007276
"127540"	259.092476	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+2H"	2.014552
"568923"	388.135076	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+2H"	2.014552
"1039176"	130.049876	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2H"	2.014552
"207808"	173.064076	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+3H"	3.021828
"655022"	259.092476	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+3H"	3.021828
"1170964"	87.035676	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+3H"	3.021828
"429859"	534.204223	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+NH4"	18.033823
"791947"	792.289423	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+NH4"	18.033823
"1686093"	276.119023	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+NH4"	18.033823
"336559"	267.6057495	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+H+NH4"	19.041099
"730072"	396.6483495	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+H+NH4"	19.041099
"1483892"	138.5631495	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H+NH4"	19.041099
"394918"	539.159618	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+Na"	22.989218
"758112"	797.244818	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+Na"	22.989218
"1605115"	281.074418	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Na"	22.989218
"317339"	270.083447	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+H+Na"	23.996494
"708666"	399.126047	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+H+Na"	23.996494
"1464675"	141.040847	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H+Na"	23.996494
"1053911"	94.36299	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2H+Na"	25.00377
"1259598"	291.118686	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+CH3OH+H"	33.033486
"383639"	555.133558	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+K"	38.963158
"742448"	813.218758	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+K"	38.963158
"1551062"	297.048358	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+K"	38.963158
"311520"	278.070417	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+H+K"	39.970434
"698475"	407.113017	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+H+K"	39.970434
"1458492"	149.027817	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H+K"	39.970434
"250499"	558.204226	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+ACN+H"	42.033826
"1223447"	300.119026	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+ACN+H"	42.033826
"1209520"	150.563151	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+ACN+2H"	43.041102
"202876"	561.14156	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+2Na-H"	44.97116
"636482"	819.22676	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+2Na-H"	44.97116
"1137802"	303.05636	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2Na-H"	44.97116
"183278"	281.074418	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+2Na"	45.978436
"619559"	410.117018	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+2Na"	45.978436
"1126346"	152.031818	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2Na"	45.978436
"1410238"	101.690304	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H+2Na"	46.985712
"1439801"	305.097946	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H+HCOOH"	47.012746
"226215"	286.10744	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+3H2O+2H"	56.04448
"1523031"	319.14999	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+IsoProp+H"	61.06479
"424143"	289.061388	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+Na+K"	61.952376
"780433"	418.103988	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+Na+K"	61.952376
"1677858"	160.018788	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Na+K"	61.952376
"260001"	580.186168	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+ACN+Na"	64.015768
"1235989"	322.100968	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+ACN+Na"	64.015768
"1724878"	322.124493	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+NH4+HCOOH"	64.039293
"1189141"	109.017618	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+3Na"	68.967654
"1659401"	327.079888	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Na+HCOOH"	68.994688
"165530"	593.08944	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+2K-H"	76.91904
"604363"	851.17464	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+2K-H"	76.91904
"1096897"	335.00424	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2K-H"	76.91904
"155171"	297.048358	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"2M+2K"	77.926316
"592545"	426.090958	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"3M+2K"	77.926316
"1081432"	168.005758	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2K"	77.926316
"1113793"	337.018792	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2K+H"	78.933592
"1343735"	337.106407	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+DMSO+H"	79.021207
"1018098"	341.145576	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2ACN+H"	83.060376
"1536953"	342.139208	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+IsoProp+Na+H"	84.054008
"1002671"	171.076426	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+2ACN+2H"	84.067652
"1600088"	343.053828	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+K+HCOOH"	84.968628
"1423557"	373.085338	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+H+CF3COOH"	115.000138
"1153847"	191.589701	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+3ACN+2H"	125.094202
"1703397"	390.111885	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+NH4+CF3COOH"	132.026685
"1635772"	395.06728	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+Na+CF3COOH"	136.98208
"1582360"	411.04122	"C05131"	"(1-Ribosylimidazole)-4-acetate"	"C10H14N2O6"	"258.0852"	"M+K+CF3COOH"	152.95602
"815643"	142.0378	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M"	0
"982977"	123.01941	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-H2O-H"	-19.01839
"75595"	93.6845906666667	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M-3H"	-3.021828
"516249"	141.030524	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M-3H"	-3.021828
"894780"	46.3386573333333	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-3H"	-3.021828
"12625"	141.030524	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M-2H"	-2.014552
"453648"	212.049424	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M-2H"	-2.014552
"832425"	70.011624	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-2H"	-2.014552
"91077"	283.068324	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M-H"	-1.007276
"524075"	425.106124	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M-H"	-1.007276
"902970"	141.030524	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-H"	-1.007276
"49691"	300.094871	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M-2H+NH4"	16.019271
"494718"	442.132671	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M-2H+NH4"	16.019271
"869243"	158.057071	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-2H+NH4"	16.019271
"37145"	305.050266	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M-2H+Na"	20.974666
"477071"	447.088066	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M-2H+Na"	20.974666
"857789"	163.012466	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-2H+Na"	20.974666
"1627332"	163.012466	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Na-2H"	20.974666
"100579"	159.018863	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M-H+Cl"	33.962126
"542327"	230.037763	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M-H+Cl"	33.962126
"935841"	87.999963	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-H+Cl"	33.962126
"276584"	319.045002	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+Cl"	34.969402
"673013"	461.082802	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+Cl"	34.969402
"1280316"	177.007202	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Cl"	34.969402
"23965"	321.024206	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M-2H+K"	36.948606
"466806"	463.062006	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M-2H+K"	36.948606
"844608"	178.986406	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-2H+K"	36.948606
"1562623"	178.986406	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+K-2H"	36.948606
"949417"	187.035994	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-H+HCOOH"	44.998194
"365444"	329.073801	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+HCOOH-H"	44.998201
"350420"	343.089451	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+Hac-H"	59.013851
"1494878"	201.051651	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Hac-H"	59.013851
"968987"	209.017951	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-H+NaCOOH"	66.980151
"117893"	177.007202	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+2Cl"	69.938804
"554172"	248.026102	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+2Cl"	69.938804
"1030626"	105.988302	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2Cl"	69.938804
"1248021"	220.956685	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Br"	78.918885
"1308283"	223.012672	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Cl+HCOOH"	80.974872
"1331249"	244.994629	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Cl+NaCOOH"	102.956829
"920129"	255.023386	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M-H+CF3COOH"	112.985586
"1297207"	291.000064	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Cl+CF3COOH"	148.962264
"1377187"	107.025124	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H-2H2O"	-35.012676
"1390309"	125.0351	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H-H2O"	-17.0027
"283680"	285.082876	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+H"	1.007276
"678414"	427.120676	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+H"	1.007276
"1352572"	143.045076	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H"	1.007276
"127282"	143.045076	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+2H"	2.014552
"569034"	214.063976	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+2H"	2.014552
"1037339"	72.026176	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2H"	2.014552
"205122"	95.6991426666667	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+3H"	3.021828
"648573"	143.045076	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+3H"	3.021828
"1169979"	48.3532093333333	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+3H"	3.021828
"427782"	302.109423	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+NH4"	18.033823
"790963"	444.147223	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+NH4"	18.033823
"1687293"	160.071623	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+NH4"	18.033823
"334480"	151.5583495	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+H+NH4"	19.041099
"725808"	222.5772495	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+H+NH4"	19.041099
"1479628"	80.5394495	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H+NH4"	19.041099
"393689"	307.064818	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+Na"	22.989218
"759313"	449.102618	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+Na"	22.989218
"1605224"	165.027018	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Na"	22.989218
"317449"	154.036047	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+H+Na"	23.996494
"708776"	225.054947	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+H+Na"	23.996494
"1465878"	83.017147	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H+Na"	23.996494
"1056937"	55.6805233333333	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2H+Na"	25.00377
"1260801"	175.071286	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+CH3OH+H"	33.033486
"386301"	323.038758	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+K"	38.963158
"744017"	465.076558	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+K"	38.963158
"1546070"	181.000958	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+K"	38.963158
"303976"	162.023017	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+H+K"	39.970434
"697492"	233.041917	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+H+K"	39.970434
"1457875"	91.004117	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H+K"	39.970434
"250122"	326.109426	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+ACN+H"	42.033826
"1222100"	184.071626	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+ACN+H"	42.033826
"1209385"	92.539451	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+ACN+2H"	43.041102
"202378"	329.04676	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+2Na-H"	44.97116
"639872"	471.08456	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+2Na-H"	44.97116
"1142651"	187.00896	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2Na-H"	44.97116
"174276"	165.027018	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+2Na"	45.978436
"619669"	236.045918	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+2Na"	45.978436
"1129376"	94.008118	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2Na"	45.978436
"1410711"	63.0078373333333	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H+2Na"	46.985712
"1441003"	189.050546	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H+HCOOH"	47.012746
"233255"	170.06004	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+3H2O+2H"	56.04448
"1522776"	203.10259	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+IsoProp+H"	61.06479
"423196"	173.013988	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+Na+K"	61.952376
"779087"	244.032888	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+Na+K"	61.952376
"1676512"	101.995088	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Na+K"	61.952376
"259020"	348.091368	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+ACN+Na"	64.015768
"1233186"	206.053568	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+ACN+Na"	64.015768
"1722438"	206.077093	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+NH4+HCOOH"	64.039293
"1188159"	70.3351513333333	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+3Na"	68.967654
"1658418"	211.032488	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Na+HCOOH"	68.994688
"163454"	360.99464	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+2K-H"	76.91904
"605204"	503.03244	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+2K-H"	76.91904
"1097737"	218.95684	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2K-H"	76.91904
"151273"	181.000958	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"2M+2K"	77.926316
"594845"	252.019858	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"3M+2K"	77.926316
"1081543"	109.982058	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2K"	77.926316
"1114876"	220.971392	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2K+H"	78.933592
"1347855"	221.059007	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+DMSO+H"	79.021207
"1018695"	225.098176	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2ACN+H"	83.060376
"1537915"	226.091808	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+IsoProp+Na+H"	84.054008
"1002415"	113.052726	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+2ACN+2H"	84.067652
"1601173"	227.006428	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+K+HCOOH"	84.968628
"1423668"	257.037938	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+H+CF3COOH"	115.000138
"1152863"	133.566001	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+3ACN+2H"	125.094202
"1701321"	274.064485	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+NH4+CF3COOH"	132.026685
"1643537"	279.01988	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+Na+CF3COOH"	136.98208
"1582470"	294.99382	"C05133"	"4-Imidazolone-5-acetate;Imidazolone acetate;(5-Hydroxyimidazole)-4-acetate;5-Hydroxy-4-imidazoleacetate"	"C5H6N2O3"	"142.0378"	"M+K+CF3COOH"	152.95602
"812836"	153.0902	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M"	0
"980900"	134.07181	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-H2O-H"	-19.01839
"72424"	101.052857333333	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M-3H"	-3.021828
"506881"	152.082924	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M-3H"	-3.021828
"890880"	50.0227906666667	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-3H"	-3.021828
"12736"	152.082924	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M-2H"	-2.014552
"449014"	228.628024	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M-2H"	-2.014552
"832535"	75.537824	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-2H"	-2.014552
"93008"	305.173124	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M-H"	-1.007276
"524185"	458.263324	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M-H"	-1.007276
"903080"	152.082924	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-H"	-1.007276
"49801"	322.199671	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M-2H+NH4"	16.019271
"497014"	475.289871	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M-2H+NH4"	16.019271
"869353"	169.109471	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-2H+NH4"	16.019271
"39443"	327.155066	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M-2H+Na"	20.974666
"485444"	480.245266	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M-2H+Na"	20.974666
"857899"	174.064866	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-2H+Na"	20.974666
"1629629"	174.064866	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Na-2H"	20.974666
"101782"	170.071263	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M-H+Cl"	33.962126
"543530"	246.616363	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M-H+Cl"	33.962126
"932671"	93.526163	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-H+Cl"	33.962126
"279974"	341.149802	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+Cl"	34.969402
"671304"	494.240002	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+Cl"	34.969402
"1282613"	188.059602	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Cl"	34.969402
"30636"	343.129006	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M-2H+K"	36.948606
"469103"	496.219206	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M-2H+K"	36.948606
"845811"	190.038806	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-2H+K"	36.948606
"1562733"	190.038806	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+K-2H"	36.948606
"948433"	198.088394	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-H+HCOOH"	44.998194
"364461"	351.178601	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+HCOOH-H"	44.998201
"348708"	365.194251	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+Hac-H"	59.013851
"1495352"	212.104051	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Hac-H"	59.013851
"973352"	220.070351	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-H+NaCOOH"	66.980151
"118003"	188.059602	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+2Cl"	69.938804
"555375"	264.604702	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+2Cl"	69.938804
"1030736"	111.514502	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2Cl"	69.938804
"1252504"	232.009085	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Br"	78.918885
"1311673"	234.065072	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Cl+HCOOH"	80.974872
"1328079"	256.047029	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Cl+NaCOOH"	102.956829
"919135"	266.075786	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M-H+CF3COOH"	112.985586
"1298045"	302.052464	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Cl+CF3COOH"	148.962264
"1374017"	118.077524	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H-2H2O"	-35.012676
"1388232"	136.0875	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H-H2O"	-17.0027
"284277"	307.187676	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+H"	1.007276
"681439"	460.277876	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+H"	1.007276
"1353413"	154.097476	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H"	1.007276
"128124"	154.097476	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+2H"	2.014552
"567683"	230.642576	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+2H"	2.014552
"1040128"	77.552376	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2H"	2.014552
"206935"	103.067409333333	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+3H"	3.021828
"649043"	154.097476	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+3H"	3.021828
"1168995"	52.0373426666667	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+3H"	3.021828
"431171"	324.214223	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+NH4"	18.033823
"792166"	477.304423	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+NH4"	18.033823
"1687404"	171.124023	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+NH4"	18.033823
"335683"	162.6107495	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+H+NH4"	19.041099
"727375"	239.1558495	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+H+NH4"	19.041099
"1481924"	86.0656495	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H+NH4"	19.041099
"396231"	329.169618	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+Na"	22.989218
"760516"	482.259818	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+Na"	22.989218
"1607523"	176.079418	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Na"	22.989218
"318652"	165.088447	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+H+Na"	23.996494
"712164"	241.633547	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+H+Na"	23.996494
"1467082"	88.543347	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H+Na"	23.996494
"1057048"	59.3646566666667	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2H+Na"	25.00377
"1262005"	186.123686	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+CH3OH+H"	33.033486
"384953"	345.143558	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+K"	38.963158
"748136"	498.233758	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+K"	38.963158
"1546179"	192.053358	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+K"	38.963158
"309553"	173.075417	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+H+K"	39.970434
"701974"	249.620517	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+H+K"	39.970434
"1458349"	96.530317	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H+K"	39.970434
"251008"	348.214226	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+ACN+H"	42.033826
"1224398"	195.124026	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+ACN+H"	42.033826
"1209254"	98.065651	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+ACN+2H"	43.041102
"200418"	351.15156	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+2Na-H"	44.97116
"640713"	504.24176	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+2Na-H"	44.97116
"1143489"	198.06136	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2Na-H"	44.97116
"178031"	176.079418	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+2Na"	45.978436
"619780"	252.624518	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+2Na"	45.978436
"1130457"	99.534318	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2Na"	45.978436
"1412278"	66.6919706666667	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H+2Na"	46.985712
"1442206"	200.102946	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H+HCOOH"	47.012746
"232997"	181.11244	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+3H2O+2H"	56.04448
"1519963"	214.15499	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+IsoProp+H"	61.06479
"422940"	184.066388	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+Na+K"	61.952376
"779200"	260.611488	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+Na+K"	61.952376
"1675164"	107.521288	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Na+K"	61.952376
"260224"	370.196168	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+ACN+Na"	64.015768
"1234026"	217.105968	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+ACN+Na"	64.015768
"1721819"	217.129493	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+NH4+HCOOH"	64.039293
"1187173"	74.0192846666667	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+3Na"	68.967654
"1659254"	222.084888	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Na+HCOOH"	68.994688
"165023"	383.09944	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+2K-H"	76.91904
"605314"	536.18964	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+2K-H"	76.91904
"1097848"	230.00924	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2K-H"	76.91904
"150290"	192.053358	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"2M+2K"	77.926316
"593130"	268.598458	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"3M+2K"	77.926316
"1082018"	115.508258	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2K"	77.926316
"1114379"	232.023792	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2K+H"	78.933592
"1345049"	232.111407	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+DMSO+H"	79.021207
"1019415"	236.150576	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2ACN+H"	83.060376
"1538147"	237.144208	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+IsoProp+Na+H"	84.054008
"1002162"	118.578926	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+2ACN+2H"	84.067652
"1600675"	238.058828	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+K+HCOOH"	84.968628
"1424872"	268.090338	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+H+CF3COOH"	115.000138
"1157348"	139.092201	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+3ACN+2H"	125.094202
"1701431"	285.116885	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+NH4+CF3COOH"	132.026685
"1641460"	290.07228	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+Na+CF3COOH"	136.98208
"1582580"	306.04622	"C05135"	"4-(beta-Acetylaminoethyl)imidazole;N-Acetylhistamine"	"C7H11N3O"	"153.0902"	"M+K+CF3COOH"	152.95602
"809666"	573.0873	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M"	0
"979917"	554.06891	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-H2O-H"	-19.01839
"69254"	381.050924	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M-3H"	-3.021828
"508814"	572.080024	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M-3H"	-3.021828
"893177"	190.021824	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-3H"	-3.021828
"12845"	572.080024	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M-2H"	-2.014552
"449124"	858.623674	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M-2H"	-2.014552
"832645"	285.536374	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-2H"	-2.014552
"92025"	1145.167324	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M-H"	-1.007276
"523201"	1718.254624	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M-H"	-1.007276
"901004"	572.080024	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-H"	-1.007276
"51003"	1162.193871	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M-2H+NH4"	16.019271
"493844"	1735.281171	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M-2H+NH4"	16.019271
"868370"	589.106571	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-2H+NH4"	16.019271
"39553"	1167.149266	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M-2H+Na"	20.974666
"480208"	1740.236566	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M-2H+Na"	20.974666
"858009"	594.061966	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-2H+Na"	20.974666
"1628646"	594.061966	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Na-2H"	20.974666
"98612"	590.068363	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M-H+Cl"	33.962126
"543641"	876.612013	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M-H+Cl"	33.962126
"932781"	303.524713	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-H+Cl"	33.962126
"280085"	1181.144002	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+Cl"	34.969402
"671413"	1754.231302	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+Cl"	34.969402
"1284912"	608.056702	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Cl"	34.969402
"28561"	1183.123206	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M-2H+K"	36.948606
"470307"	1756.210506	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M-2H+K"	36.948606
"843735"	610.035906	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-2H+K"	36.948606
"1567218"	610.035906	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+K-2H"	36.948606
"947450"	618.085494	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-H+HCOOH"	44.998194
"364571"	1191.172801	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+HCOOH-H"	44.998201
"350640"	1205.188451	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+Hac-H"	59.013851
"1496194"	632.101151	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Hac-H"	59.013851
"972124"	640.067451	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-H+NaCOOH"	66.980151
"122487"	608.056702	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+2Cl"	69.938804
"558766"	894.600352	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+2Cl"	69.938804
"1031939"	321.513052	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2Cl"	69.938804
"1248241"	652.006185	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Br"	78.918885
"1310690"	654.062172	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Cl+HCOOH"	80.974872
"1329282"	676.044129	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Cl+NaCOOH"	102.956829
"919245"	686.072886	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M-H+CF3COOH"	112.985586
"1297790"	722.049564	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Cl+CF3COOH"	148.962264
"1374127"	538.074624	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H-2H2O"	-35.012676
"1387612"	556.0846	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H-H2O"	-17.0027
"283780"	1147.181876	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+H"	1.007276
"677174"	1720.269176	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+H"	1.007276
"1353889"	574.094576	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H"	1.007276
"127867"	574.094576	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+2H"	2.014552
"568522"	860.638226	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+2H"	2.014552
"1038415"	287.550926	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2H"	2.014552
"206678"	383.065476	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+3H"	3.021828
"646601"	574.094576	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+3H"	3.021828
"1165459"	192.036376	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+3H"	3.021828
"426177"	1164.208423	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+NH4"	18.033823
"788997"	1737.295723	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+NH4"	18.033823
"1684962"	591.121123	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+NH4"	18.033823
"331419"	582.6078495	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+H+NH4"	19.041099
"725660"	869.1514995	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+H+NH4"	19.041099
"1480941"	296.0641995	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H+NH4"	19.041099
"393426"	1169.163818	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+Na"	22.989218
"758436"	1742.251118	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+Na"	22.989218
"1604226"	596.076518	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Na"	22.989218
"318030"	585.085547	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+H+Na"	23.996494
"710451"	871.629197	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+H+Na"	23.996494
"1465002"	298.541897	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H+Na"	23.996494
"1055697"	199.36369	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2H+Na"	25.00377
"1261384"	606.120786	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+CH3OH+H"	33.033486
"381053"	1185.137758	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+K"	38.963158
"746059"	1758.225058	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+K"	38.963158
"1548112"	612.050458	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+K"	38.963158
"306382"	593.072517	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+H+K"	39.970434
"705367"	879.616167	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+H+K"	39.970434
"1460647"	306.528867	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H+K"	39.970434
"250704"	1188.208426	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+ACN+H"	42.033826
"1224992"	615.121126	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+ACN+H"	42.033826
"1209442"	308.064201	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+ACN+2H"	43.041102
"201621"	1191.14576	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+2Na-H"	44.97116
"640092"	1764.23306	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+2Na-H"	44.97116
"1146151"	618.05846	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2Na-H"	44.97116
"179237"	596.076518	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+2Na"	45.978436
"620984"	882.620168	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+2Na"	45.978436
"1128865"	309.532868	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2Na"	45.978436
"1405829"	206.691004	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H+2Na"	46.985712
"1441224"	620.100046	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H+HCOOH"	47.012746
"234206"	601.10954	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+3H2O+2H"	56.04448
"1518982"	634.15209	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+IsoProp+H"	61.06479
"423976"	604.063488	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+Na+K"	61.952376
"781857"	890.607138	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+Na+K"	61.952376
"1676003"	317.519838	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Na+K"	61.952376
"260335"	1210.190368	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+ACN+Na"	64.015768
"1236323"	637.103068	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+ACN+Na"	64.015768
"1724844"	637.126593	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+NH4+HCOOH"	64.039293
"1186191"	214.018318	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+3Na"	68.967654
"1654990"	642.081988	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Na+HCOOH"	68.994688
"165133"	1223.09364	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+2K-H"	76.91904
"599349"	1796.18094	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+2K-H"	76.91904
"1087021"	650.00634	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2K-H"	76.91904
"147120"	612.050458	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"2M+2K"	77.926316
"587773"	898.594108	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"3M+2K"	77.926316
"1082982"	325.506808	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2K"	77.926316
"1114244"	652.020892	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2K+H"	78.933592
"1347347"	652.108507	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+DMSO+H"	79.021207
"1018794"	656.147676	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2ACN+H"	83.060376
"1536919"	657.141308	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+IsoProp+Na+H"	84.054008
"1004095"	328.577476	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+2ACN+2H"	84.067652
"1598963"	658.055928	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+K+HCOOH"	84.968628
"1420610"	688.087438	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+H+CF3COOH"	115.000138
"1150899"	349.090751	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+3ACN+2H"	125.094202
"1699357"	705.113985	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+NH4+CF3COOH"	132.026685
"1640477"	710.06938	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+Na+CF3COOH"	136.98208
"1582690"	726.04332	"C05136"	"GDP-36-dideoxy-D-galactose"	"C16H25N5O14P2"	"573.0873"	"M+K+CF3COOH"	152.95602
"809776"	332.2351	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M"	0
"980027"	313.21671	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"69364"	220.482790666667	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"510017"	331.227824	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"892193"	109.737757333333	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"12955"	331.227824	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"452150"	497.345374	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"832474"	165.110274	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"92014"	663.462924	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"524407"	995.698024	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"904394"	331.227824	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"52206"	680.489471	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"490674"	1012.724571	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"867386"	348.254371	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"39663"	685.444866	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"480318"	1017.679966	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"858119"	353.209766	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1628755"	353.209766	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"97629"	349.216163	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"543750"	515.333713	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"941154"	183.098613	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"278008"	699.439602	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"672616"	1031.674702	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1282833"	367.204502	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"28671"	701.418806	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"469325"	1033.653906	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"845667"	369.183706	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1566235"	369.183706	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"950841"	377.233294	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"365774"	709.468401	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"349658"	723.484051	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1493346"	391.248951	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"973575"	399.215251	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"122597"	367.204502	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"561062"	533.322052	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1033142"	201.086952	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1248351"	411.153985	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1308613"	413.209972	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1325016"	435.191929	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"916073"	445.220686	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1297170"	481.197364	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1371685"	297.222424	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1383347"	315.2324	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"285954"	665.477476	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"678742"	997.712576	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1352175"	333.242376	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"127248"	333.242376	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"568268"	499.359926	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1039255"	167.124826	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"205937"	222.497342666667	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"646347"	333.242376	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1164836"	111.752309333333	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"426285"	682.504023	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"790199"	1014.739123	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1683614"	350.268923	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"331894"	341.7556495	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"725771"	507.8731995	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1481051"	175.6380995	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"393171"	687.459418	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"757455"	1019.694518	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1604822"	355.224318	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"314776"	344.233347	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"709103"	510.350897	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1463653"	178.115797	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1055077"	119.079623333333	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1264411"	365.268586	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"384079"	703.433358	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"746169"	1035.668458	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1551502"	371.198258	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"313056"	352.220317	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"705842"	518.337867	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1459296"	186.102767	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"250328"	706.504026	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1224859"	374.268926	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1209511"	187.638101	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"199544"	709.44136	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"642269"	1041.67646	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1143709"	377.20626	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"184815"	355.224318	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"622187"	521.341868	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1128248"	189.106768	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1407032"	126.406937333333	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1441334"	379.247846	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"233949"	360.25734	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1522741"	393.29989	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"420974"	363.211288	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"778688"	529.328838	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1675747"	197.093738	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"259351"	728.485968	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1233153"	396.250868	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1720945"	396.274393	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1185209"	133.734251333333	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1654007"	401.229788	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"163058"	741.38924	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"600431"	1073.62434	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1084334"	409.15414	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"146136"	371.198258	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"588977"	537.315808	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1082241"	205.080708	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1113867"	411.168692	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1351146"	411.256307	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1020239"	415.295476	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1536299"	416.289108	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"1004204"	208.151376	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1600895"	417.203728	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1421814"	447.235238	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1152102"	228.664651	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1700560"	464.261785	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1639494"	469.21718	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1582800"	485.19112	"C05138"	"17alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"813166"	304.2038	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M"	0
"980137"	285.18541	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"69474"	201.795257333333	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"510127"	303.196524	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"892303"	100.393990666667	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"13065"	303.196524	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"452624"	455.298424	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"831653"	151.094624	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"92245"	607.400324	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"523423"	911.604124	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"901223"	303.196524	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"50130"	624.426871	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"489690"	928.630671	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"867496"	320.223071	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"32601"	629.382266	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"480428"	933.586066	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"858229"	325.178466	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1627772"	325.178466	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"95185"	321.184863	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"540580"	473.286763	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"938467"	169.082963	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"278117"	643.377002	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"673700"	947.580802	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1284037"	339.173202	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"26594"	645.356206	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"469070"	949.560006	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"842861"	341.152406	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1563065"	341.152406	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"944752"	349.201994	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"363697"	653.405801	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"349768"	667.421451	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1494227"	363.217651	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"973075"	371.183951	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"119427"	339.173202	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"561173"	491.275102	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1032158"	187.071302	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1246274"	383.122685	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1306537"	385.178672	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1325126"	407.160629	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"915090"	417.189386	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1295094"	453.166064	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1374347"	269.191124	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1386009"	287.2011	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"286426"	609.414876	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"678488"	913.618676	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1353014"	305.211076	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"126751"	305.211076	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"568742"	457.312976	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1038635"	153.109176	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"207267"	203.809809333333	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"647550"	305.211076	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1165311"	102.408542666667	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"429311"	626.441423	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"791402"	930.645223	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1685182"	322.237623	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"333826"	313.7243495	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"728433"	465.8262495	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1484441"	161.6224495	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"394375"	631.396818	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"754319"	935.600618	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1603148"	327.193018	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"314722"	316.202047	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"707997"	468.303947	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1461419"	164.100147	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1052993"	109.735856666667	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1262335"	337.237286	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"382003"	647.370758	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"744091"	951.574558	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1548332"	343.166958	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"310251"	324.189017	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"702672"	476.290917	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1457583"	172.087117	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"247642"	650.441426	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1222900"	346.237626	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1207391"	173.622451	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"199654"	653.37876	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"639220"	957.58256	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1144308"	349.17496	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"182737"	327.193018	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"625703"	479.294918	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1126898"	175.091118	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1410422"	117.063170666667	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1438164"	351.216546	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"233700"	332.22604	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1521761"	365.26859	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"422177"	335.179988	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"779891"	487.281888	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1675131"	183.078088	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"258368"	672.423368	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1234360"	368.219568	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1718871"	368.243093	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1183132"	124.390484666667	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1653025"	373.198488	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"162075"	685.32664	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"604916"	989.53044	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1087241"	381.12284	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"146610"	343.166958	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"587993"	495.268858	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1083080"	191.065058	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1114828"	383.137392	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1350978"	383.225007	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1021080"	387.264176	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1539656"	388.257808	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"1005533"	194.135726	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1601369"	389.172428	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1421921"	419.203938	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1151118"	214.649001	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1706135"	436.230485	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1639604"	441.18588	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1586190"	457.15982	"C05139"	"16alpha-Hydroxydehydroepiandrosterone;5-Androstene-3beta16alpha-diol-17-one"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"813276"	302.1882	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M"	0
"980248"	283.16981	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"72864"	200.451524	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"513517"	301.180924	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"895253"	99.722124	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"15573"	301.180924	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"454560"	452.275024	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"832246"	150.086824	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"91508"	603.369124	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"521347"	905.557324	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"900240"	301.180924	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"53520"	620.395671	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"491987"	922.583871	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"867606"	318.207471	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"32223"	625.351066	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"485644"	927.539266	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"862593"	323.162866	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1631162"	323.162866	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"96026"	319.169263	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"540690"	470.263363	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"939310"	168.075163	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"274949"	639.345802	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"668464"	941.534002	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1285973"	337.157602	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"28527"	641.325006	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"469183"	943.513206	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"844796"	339.136806	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1569011"	339.136806	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"947779"	347.186394	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"368181"	649.374601	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"355346"	663.390251	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1499804"	361.202051	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"973549"	369.168351	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"125250"	337.157602	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"561285"	488.251702	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1034822"	186.063502	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1247477"	381.107085	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1306647"	383.163072	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1326329"	405.145029	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"917386"	415.173786	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1298484"	451.150464	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1376644"	267.175524	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1393046"	285.1855	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"291642"	605.383676	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"678598"	907.571876	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1352636"	303.195476	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"127957"	303.195476	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"568488"	454.289576	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1042754"	152.101376	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"210655"	202.466076	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"650216"	303.195476	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1167243"	101.736676	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"429421"	622.410223	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"791514"	924.598423	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1684929"	320.222023	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"333936"	311.7087495	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"726358"	462.8028495	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1482367"	160.6146495	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"394848"	627.365618	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"757675"	929.553818	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1604679"	325.177418	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"314425"	314.186447	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"707418"	465.280547	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1468616"	163.092347	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1056395"	109.06399	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1259166"	335.221686	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"383208"	643.339558	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"747483"	945.527758	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1550629"	341.151358	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"308900"	322.173417	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"703510"	473.267517	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1457327"	171.079317	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"249574"	646.410226	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1224349"	344.222026	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1208961"	172.614651	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"200858"	649.34756	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"640789"	951.53576	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1144538"	347.15936	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"182847"	325.177418	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"626298"	476.271518	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1127009"	174.083318	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1410535"	116.391304	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1444717"	349.200946	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"234294"	330.21044	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1521507"	363.25299	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"422650"	333.164388	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"780002"	484.258488	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1677064"	182.070288	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"261761"	668.392168	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1230096"	366.203968	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1715702"	366.227493	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1179110"	123.718618	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1655324"	371.182888	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"158052"	681.29544	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"603932"	983.48364	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1087351"	379.10724	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"147449"	341.151358	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"593571"	492.245458	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1083551"	190.057258	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1115142"	381.121792	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1351128"	381.209407	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1020585"	385.248576	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1539441"	386.242208	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"997499"	193.127926	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1595280"	387.156828	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1420939"	417.188338	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1152322"	213.641201	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1700779"	434.214885	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1636794"	439.17028	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1586300"	455.14422	"C05140"	"16alpha-Hydroxyandrost-4-ene-317-dione;4-Androsten-16alpha-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"813386"	288.1725	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M"	0
"977078"	269.15411	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-H2O-H"	-19.01839
"69694"	191.107724	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M-3H"	-3.021828
"510347"	287.165224	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M-3H"	-3.021828
"891430"	95.050224	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-3H"	-3.021828
"15537"	287.165224	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M-2H"	-2.014552
"454548"	431.251474	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M-2H"	-2.014552
"831020"	143.078974	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-2H"	-2.014552
"91375"	575.337724	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M-H"	-1.007276
"523643"	863.510224	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M-H"	-1.007276
"904727"	287.165224	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-H"	-1.007276
"56914"	592.364271	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M-2H+NH4"	16.019271
"488817"	880.536771	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M-2H+NH4"	16.019271
"866135"	304.191771	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-2H+NH4"	16.019271
"32698"	597.319666	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M-2H+Na"	20.974666
"483934"	885.492166	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M-2H+Na"	20.974666
"859544"	309.147166	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-2H+Na"	20.974666
"1629085"	309.147166	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Na-2H"	20.974666
"97959"	305.153563	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M-H+Cl"	33.962126
"541894"	449.239813	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M-H+Cl"	33.962126
"936502"	161.067313	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-H+Cl"	33.962126
"279798"	611.314402	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+Cl"	34.969402
"671855"	899.486902	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+Cl"	34.969402
"1285354"	323.141902	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Cl"	34.969402
"30097"	613.293606	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M-2H+K"	36.948606
"470386"	901.466106	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M-2H+K"	36.948606
"845270"	325.121106	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-2H+K"	36.948606
"1569120"	325.121106	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+K-2H"	36.948606
"954450"	333.170694	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-H+HCOOH"	44.998194
"373032"	621.343201	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+HCOOH-H"	44.998201
"356552"	635.358851	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+Hac-H"	59.013851
"1502831"	347.186351	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Hac-H"	59.013851
"971836"	355.152651	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-H+NaCOOH"	66.980151
"122932"	323.141902	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+2Cl"	69.938804
"563217"	467.228152	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+2Cl"	69.938804
"1034566"	179.055652	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2Cl"	69.938804
"1248682"	367.091385	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Br"	78.918885
"1310038"	369.147372	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Cl+HCOOH"	80.974872
"1324252"	391.129329	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Cl+NaCOOH"	102.956829
"916404"	401.158086	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M-H+CF3COOH"	112.985586
"1299683"	437.134764	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Cl+CF3COOH"	148.962264
"1375661"	253.159824	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H-2H2O"	-35.012676
"1393157"	271.1698	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H-H2O"	-17.0027
"292844"	577.352276	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+H"	1.007276
"688546"	865.524776	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+H"	1.007276
"1354327"	289.179776	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H"	1.007276
"134508"	289.179776	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+2H"	2.014552
"575160"	433.266026	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+2H"	2.014552
"1043958"	145.093526	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2H"	2.014552
"208579"	193.122276	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+3H"	3.021828
"653606"	289.179776	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+3H"	3.021828
"1168084"	97.064776	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+3H"	3.021828
"428805"	594.378823	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+NH4"	18.033823
"791623"	882.551323	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+NH4"	18.033823
"1687954"	306.206323	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+NH4"	18.033823
"333680"	297.6930495	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+H+NH4"	19.041099
"727561"	441.7792995	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+H+NH4"	19.041099
"1481748"	153.6067995	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H+NH4"	19.041099
"394594"	599.334218	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+Na"	22.989218
"756688"	887.506718	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+Na"	22.989218
"1603207"	311.161718	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Na"	22.989218
"314820"	300.170747	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+H+Na"	23.996494
"707851"	444.256997	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+H+Na"	23.996494
"1463620"	156.084497	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H+Na"	23.996494
"1053703"	104.39209	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2H+Na"	25.00377
"1259275"	321.205986	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+CH3OH+H"	33.033486
"380036"	615.308158	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+K"	38.963158
"744312"	903.480658	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+K"	38.963158
"1549644"	327.135658	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+K"	38.963158
"307914"	308.157717	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+H+K"	39.970434
"700335"	452.243967	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+H+K"	39.970434
"1460354"	164.071467	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H+K"	39.970434
"244943"	618.378826	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+ACN+H"	42.033826
"1220932"	330.206326	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+ACN+H"	42.033826
"1205544"	165.606801	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+ACN+2H"	43.041102
"200968"	621.31616	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+2Na-H"	44.97116
"643086"	909.48866	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+2Na-H"	44.97116
"1144039"	333.14366	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2Na-H"	44.97116
"182957"	311.161718	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+2Na"	45.978436
"626772"	455.247968	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+2Na"	45.978436
"1128213"	167.075468	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2Na"	45.978436
"1411745"	111.719404	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H+2Na"	46.985712
"1444103"	335.185246	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H+HCOOH"	47.012746
"234526"	316.19474	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+3H2O+2H"	56.04448
"1522954"	349.23729	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+IsoProp+H"	61.06479
"423613"	319.148688	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+Na+K"	61.952376
"780112"	463.234938	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+Na+K"	61.952376
"1676443"	175.062438	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Na+K"	61.952376
"260775"	640.360768	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+ACN+Na"	64.015768
"1231299"	352.188268	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+ACN+Na"	64.015768
"1713989"	352.211793	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+NH4+HCOOH"	64.039293
"1179018"	119.046718	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+3Na"	68.967654
"1658713"	357.167188	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Na+HCOOH"	68.994688
"161202"	653.26404	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+2K-H"	76.91904
"602948"	941.43654	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+2K-H"	76.91904
"1086368"	365.09154	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2K-H"	76.91904
"149746"	327.135658	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"2M+2K"	77.926316
"588213"	471.221908	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"3M+2K"	77.926316
"1084173"	183.049408	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2K"	77.926316
"1114809"	367.106092	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2K+H"	78.933592
"1351311"	367.193707	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+DMSO+H"	79.021207
"1021343"	371.232876	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2ACN+H"	83.060376
"1539728"	372.226508	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+IsoProp+Na+H"	84.054008
"998703"	186.120076	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+2ACN+2H"	84.067652
"1594298"	373.141128	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+K+HCOOH"	84.968628
"1422142"	403.172638	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+H+CF3COOH"	115.000138
"1153526"	206.633351	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+3ACN+2H"	125.094202
"1699796"	420.199185	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+NH4+CF3COOH"	132.026685
"1636542"	425.15458	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+Na+CF3COOH"	136.98208
"1586410"	441.12852	"C05141"	"Estriol;135(10)-Estratriene-316-alpha17beta-triol"	"C18H24O3"	"288.1725"	"M+K+CF3COOH"	152.95602
"816412"	311.1005	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M"	0
"983748"	292.08211	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H2O-H"	-19.01839
"78187"	206.393057333333	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-3H"	-3.021828
"518343"	310.093224	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-3H"	-3.021828
"895448"	102.692890666667	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-3H"	-3.021828
"15615"	310.093224	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H"	-2.014552
"452954"	465.643474	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H"	-2.014552
"832630"	154.542974	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H"	-2.014552
"93672"	621.193724	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-H"	-1.007276
"527033"	932.294224	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-H"	-1.007276
"901921"	310.093224	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H"	-1.007276
"53744"	638.220271	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H+NH4"	16.019271
"488929"	949.320771	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H+NH4"	16.019271
"865515"	327.119771	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H+NH4"	16.019271
"33536"	643.175666	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H+Na"	20.974666
"485133"	954.276166	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H+Na"	20.974666
"859654"	332.075166	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H+Na"	20.974666
"1632112"	332.075166	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na-2H"	20.974666
"100256"	328.081563	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-H+Cl"	33.962126
"540181"	483.631813	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-H+Cl"	33.962126
"937705"	172.531313	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+Cl"	33.962126
"281854"	657.170402	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Cl"	34.969402
"673061"	968.270902	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+Cl"	34.969402
"1286557"	346.069902	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl"	34.969402
"30452"	659.149606	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M-2H+K"	36.948606
"470741"	970.250106	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M-2H+K"	36.948606
"847203"	348.049106	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-2H+K"	36.948606
"1570687"	348.049106	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K-2H"	36.948606
"954560"	356.098694	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+HCOOH"	44.998194
"373870"	667.199201	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+HCOOH-H"	44.998201
"359578"	681.214851	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Hac-H"	59.013851
"1501118"	370.114351	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Hac-H"	59.013851
"974055"	378.080651	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+NaCOOH"	66.980151
"124825"	346.069902	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2Cl"	69.938804
"563691"	501.620152	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2Cl"	69.938804
"1035771"	190.519652	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2Cl"	69.938804
"1253165"	390.019385	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Br"	78.918885
"1310148"	392.075372	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl+HCOOH"	80.974872
"1325819"	414.057329	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl+NaCOOH"	102.956829
"920888"	424.086086	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M-H+CF3COOH"	112.985586
"1303681"	460.062764	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Cl+CF3COOH"	148.962264
"1374678"	276.087824	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H-2H2O"	-35.012676
"1393267"	294.0978	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H-H2O"	-17.0027
"293320"	623.208276	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H"	1.007276
"686106"	934.308776	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H"	1.007276
"1358442"	312.107776	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H"	1.007276
"132432"	312.107776	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2H"	2.014552
"570899"	467.658026	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2H"	2.014552
"1041154"	156.557526	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2H"	2.014552
"207597"	208.407609333333	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+3H"	3.021828
"649343"	312.107776	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+3H"	3.021828
"1168559"	104.707442666667	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+3H"	3.021828
"429646"	640.234823	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+NH4"	18.033823
"792826"	951.335323	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+NH4"	18.033823
"1689158"	329.134323	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+NH4"	18.033823
"334520"	320.6210495	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H+NH4"	19.041099
"728765"	476.1712995	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H+NH4"	19.041099
"1484772"	165.0707995	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+NH4"	19.041099
"399077"	645.190218	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Na"	22.989218
"756798"	956.290718	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+Na"	22.989218
"1604412"	334.089718	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na"	22.989218
"314812"	323.098747	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H+Na"	23.996494
"708327"	478.648997	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H+Na"	23.996494
"1462026"	167.548497	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+Na"	23.996494
"1055152"	112.034756666667	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2H+Na"	25.00377
"1258656"	344.133986	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+CH3OH+H"	33.033486
"378199"	661.164158	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+K"	38.963158
"741869"	972.264658	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+K"	38.963158
"1545380"	350.063658	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K"	38.963158
"304743"	331.085717	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+H+K"	39.970434
"702632"	486.635967	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+H+K"	39.970434
"1460829"	175.535467	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+K"	39.970434
"249792"	664.234826	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+ACN+H"	42.033826
"1223594"	353.134326	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+ACN+H"	42.033826
"1208570"	177.070801	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+ACN+2H"	43.041102
"197797"	667.17216	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2Na-H"	44.97116
"641736"	978.27266	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2Na-H"	44.97116
"1144149"	356.07166	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2Na-H"	44.97116
"183067"	334.089718	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2Na"	45.978436
"626639"	489.639968	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2Na"	45.978436
"1129416"	178.539468	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2Na"	45.978436
"1413757"	119.362070666667	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+2Na"	46.985712
"1445303"	358.113246	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+HCOOH"	47.012746
"235242"	339.12274	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+3H2O+2H"	56.04448
"1523426"	372.16529	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+IsoProp+H"	61.06479
"423598"	342.076688	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+Na+K"	61.952376
"783142"	497.626938	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+Na+K"	61.952376
"1677648"	186.526438	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na+K"	61.952376
"261979"	686.216768	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+ACN+Na"	64.015768
"1233597"	375.116268	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+ACN+Na"	64.015768
"1718110"	375.139793	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+NH4+HCOOH"	64.039293
"1184556"	126.689384666667	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+3Na"	68.967654
"1657732"	380.095188	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na+HCOOH"	68.994688
"160581"	699.12004	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2K-H"	76.91904
"601968"	1010.22054	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2K-H"	76.91904
"1093040"	388.01954	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2K-H"	76.91904
"153138"	350.063658	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"2M+2K"	77.926316
"595858"	505.613908	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"3M+2K"	77.926316
"1084133"	194.513408	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2K"	77.926316
"1114676"	390.034092	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2K+H"	78.933592
"1350826"	390.121707	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+DMSO+H"	79.021207
"1021134"	394.160876	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2ACN+H"	83.060376
"1539380"	395.154508	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+IsoProp+Na+H"	84.054008
"1000999"	197.584076	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+2ACN+2H"	84.067652
"1597687"	396.069128	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K+HCOOH"	84.968628
"1422253"	426.100638	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+H+CF3COOH"	115.000138
"1154729"	218.097351	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+3ACN+2H"	125.094202
"1699906"	443.127185	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+NH4+CF3COOH"	132.026685
"1636651"	448.08258	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+Na+CF3COOH"	136.98208
"1586520"	464.05652	"C05143"	"Dhurrin;(S)-4-Hydroxymandelonitrile beta-D-glucoside"	"C14H17NO7"	"311.1005"	"M+K+CF3COOH"	152.95602
"812512"	103.0633	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M"	0
"974309"	84.04491	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"73193"	67.7015906666667	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"517493"	102.056024	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"885088"	33.3471573333333	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"11682"	102.056024	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"448692"	153.587674	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"826494"	50.524374	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"88679"	205.119324	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"527145"	308.182624	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"899115"	102.056024	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"49844"	222.145871	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"493414"	325.209171	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"865749"	119.082571	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"37298"	227.101266	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"480869"	330.164566	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"857580"	124.037966	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1632584"	124.037966	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"106926"	120.044363	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"545395"	171.576013	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"941097"	68.512713	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"280747"	241.096002	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"674508"	344.159302	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1285211"	138.032702	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"29955"	243.075206	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"469514"	346.138506	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"844393"	140.011906	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1564601"	140.011906	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"954671"	148.061494	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"368512"	251.124801	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"352396"	265.140451	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1504517"	162.077151	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"972420"	170.043451	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"122053"	138.032702	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"563438"	189.564352	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1030418"	86.501052	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1248905"	181.982185	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1310259"	184.038172	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1326662"	206.020129	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"919915"	216.048886	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1296627"	252.025564	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1371506"	68.050624	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1390101"	86.0606	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"288693"	207.133876	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"685853"	310.197176	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1353819"	104.070576	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"126462"	104.070576	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"568089"	155.602226	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1038832"	52.538926	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"208071"	69.7161426666667	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"649451"	104.070576	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1166486"	35.3617093333333	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"428662"	224.160423	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"791843"	327.223723	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1683804"	121.097123	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"334269"	112.5838495	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"727784"	164.1154995	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1479416"	61.0521995	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"399196"	229.115818	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"758009"	332.179118	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1603917"	126.052518	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"318330"	115.061547	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"710020"	166.593197	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1463112"	63.529897	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1053438"	42.6890233333333	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1258402"	136.096786	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"380620"	245.089758	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"741251"	348.153058	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1543304"	142.026458	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"303760"	123.048517	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"698368"	174.580167	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1456562"	71.516867	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"248080"	248.160426	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1217872"	145.097126	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1207225"	73.052201	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"196819"	251.09776	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"637472"	354.16106	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1140983"	148.03446	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"185373"	126.052518	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"626027"	177.584168	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1130258"	74.520868	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1413055"	50.0163373333333	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1445294"	150.076046	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"233771"	131.08554	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1522928"	164.12809	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"422617"	134.039488	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"784343"	185.571138	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1676664"	82.507838	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"264277"	270.142368	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1233709"	167.079068	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1717854"	167.102593	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1185761"	57.3436513333333	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1654194"	172.057988	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"163607"	283.04564	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"602078"	386.10894	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1093151"	179.98234	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"156940"	142.026458	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"596864"	193.558108	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1084135"	90.494808	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1115270"	181.996892	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1351243"	182.084507	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1021086"	186.123676	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1537944"	187.117308	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"1005243"	93.565476	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1593421"	188.031928	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1424550"	218.063438	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1154837"	114.078751	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1698924"	235.089985	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1648674"	240.04538	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1586631"	256.01932	"C05145"	"3-Aminoisobutyric acid;3-Aminoisobutanoate;3-Amino-2-methylpropanoate"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"803874"	100.0273	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M"	0
"976313"	81.00891	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-H2O-H"	-19.01839
"70023"	65.6775906666667	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M-3H"	-3.021828
"513958"	99.020024	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M-3H"	-3.021828
"886291"	32.3351573333333	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-3H"	-3.021828
"14344"	99.020024	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M-2H"	-2.014552
"447708"	149.033674	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M-2H"	-2.014552
"830378"	49.006374	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-2H"	-2.014552
"88789"	199.047324	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M-H"	-1.007276
"527255"	299.074624	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M-H"	-1.007276
"902141"	99.020024	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-H"	-1.007276
"51048"	216.073871	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M-2H+NH4"	16.019271
"492792"	316.101171	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M-2H+NH4"	16.019271
"866584"	116.046571	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-2H+NH4"	16.019271
"34855"	221.029266	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M-2H+Na"	20.974666
"474781"	321.056566	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M-2H+Na"	20.974666
"856594"	121.001966	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-2H+Na"	20.974666
"1627222"	121.001966	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Na-2H"	20.974666
"108127"	117.008363	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M-H+Cl"	33.962126
"548903"	167.022013	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M-H+Cl"	33.962126
"941810"	66.994713	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-H+Cl"	33.962126
"280854"	235.024002	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+Cl"	34.969402
"671823"	335.051302	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+Cl"	34.969402
"1286772"	134.996702	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Cl"	34.969402
"26047"	237.003206	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M-2H+K"	36.948606
"467796"	337.030506	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M-2H+K"	36.948606
"842317"	136.975906	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-2H+K"	36.948606
"1561431"	136.975906	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+K-2H"	36.948606
"951501"	145.025494	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-H+HCOOH"	44.998194
"370809"	245.052801	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+HCOOH-H"	44.998201
"355786"	259.068451	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+Hac-H"	59.013851
"1503899"	159.041151	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Hac-H"	59.013851
"972164"	167.007451	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-H+NaCOOH"	66.980151
"121070"	134.996702	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+2Cl"	69.938804
"563912"	185.010352	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+2Cl"	69.938804
"1027247"	84.983052	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2Cl"	69.938804
"1247920"	178.946185	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Br"	78.918885
"1310368"	181.002172	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Cl+HCOOH"	80.974872
"1326773"	202.984129	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Cl+NaCOOH"	102.956829
"918202"	213.012886	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M-H+CF3COOH"	112.985586
"1294550"	248.989564	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Cl+CF3COOH"	148.962264
"1371616"	65.014624	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H-2H2O"	-35.012676
"1394220"	83.0246	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H-H2O"	-17.0027
"290992"	201.061876	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+H"	1.007276
"685963"	301.089176	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+H"	1.007276
"1355388"	101.034576	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H"	1.007276
"130464"	101.034576	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+2H"	2.014552
"567838"	151.048226	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+2H"	2.014552
"1044291"	51.020926	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2H"	2.014552
"206359"	67.6921426666667	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+3H"	3.021828
"646646"	101.034576	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+3H"	3.021828
"1164410"	34.3497093333333	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+3H"	3.021828
"426586"	218.088423	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+NH4"	18.033823
"790861"	318.115723	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+NH4"	18.033823
"1682092"	118.061123	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+NH4"	18.033823
"335474"	109.5478495	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+H+NH4"	19.041099
"726801"	159.5614995	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+H+NH4"	19.041099
"1478798"	59.5341995	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H+NH4"	19.041099
"398213"	223.043818	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+Na"	22.989218
"760308"	323.071118	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+Na"	22.989218
"1607311"	123.016518	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Na"	22.989218
"320629"	112.025547	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+H+Na"	23.996494
"708797"	162.039197	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+H+Na"	23.996494
"1462858"	62.011897	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H+Na"	23.996494
"1054524"	41.6770233333333	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2H+Na"	25.00377
"1258513"	133.060786	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+CH3OH+H"	33.033486
"384740"	239.017758	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+K"	38.963158
"743548"	339.045058	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+K"	38.963158
"1547788"	138.990458	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+K"	38.963158
"302777"	120.012517	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+H+K"	39.970434
"701758"	170.026167	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+H+K"	39.970434
"1455579"	69.998867	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H+K"	39.970434
"247826"	242.088426	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+ACN+H"	42.033826
"1217982"	142.061126	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+ACN+H"	42.033826
"1205879"	71.534201	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+ACN+2H"	43.041102
"195836"	245.02576	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+2Na-H"	44.97116
"637582"	345.05306	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+2Na-H"	44.97116
"1140000"	144.99846	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2Na-H"	44.97116
"186213"	123.016518	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+2Na"	45.978436
"627231"	173.030168	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+2Na"	45.978436
"1129640"	73.002868	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2Na"	45.978436
"1413167"	49.0043373333333	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H+2Na"	46.985712
"1445541"	147.040046	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H+HCOOH"	47.012746
"233517"	128.04954	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+3H2O+2H"	56.04448
"1523038"	161.09209	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+IsoProp+H"	61.06479
"420540"	131.003488	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+Na+K"	61.952376
"781535"	181.017138	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+Na+K"	61.952376
"1674587"	80.989838	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Na+K"	61.952376
"263293"	264.070368	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+ACN+Na"	64.015768
"1238192"	164.043068	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+ACN+Na"	64.015768
"1724893"	164.066593	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+NH4+HCOOH"	64.039293
"1190246"	56.3316513333333	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+3Na"	68.967654
"1653577"	169.021988	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Na+HCOOH"	68.994688
"161532"	276.97364	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+2K-H"	76.91904
"606562"	377.00094	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+2K-H"	76.91904
"1097635"	176.94634	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2K-H"	76.91904
"150077"	138.990458	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"2M+2K"	77.926316
"591824"	189.004108	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"3M+2K"	77.926316
"1084049"	88.976808	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2K"	77.926316
"1115518"	178.960892	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2K+H"	78.933592
"1351205"	179.048507	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+DMSO+H"	79.021207
"1021317"	183.087676	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2ACN+H"	83.060376
"1537931"	184.081308	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+IsoProp+Na+H"	84.054008
"1003405"	92.047476	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+2ACN+2H"	84.067652
"1593531"	184.995928	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+K+HCOOH"	84.968628
"1425390"	215.027438	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+H+CF3COOH"	115.000138
"1154947"	112.560751	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+3ACN+2H"	125.094202
"1701221"	232.053985	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+NH4+CF3COOH"	132.026685
"1635050"	237.00938	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+Na+CF3COOH"	136.98208
"1586741"	252.98332	"C05146"	"Hydantoin;Glycolylurea"	"C3H4N2O2"	"100.0273"	"M+K+CF3COOH"	152.95602
"807266"	131.0582	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M"	0
"980799"	112.03981	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"73415"	86.3648573333333	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"514067"	130.050924	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"887494"	42.6787906666667	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"11538"	130.050924	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"450005"	195.580024	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"829997"	64.521824	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"91083"	261.109124	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"529552"	392.167324	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"899334"	130.050924	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"49212"	278.135671	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"491082"	409.193871	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"865600"	147.077471	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"41530"	283.091066	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"484983"	414.149266	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"857800"	152.032866	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1631710"	152.032866	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"107147"	148.039263	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"548651"	213.568363	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"940223"	82.510163	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"281330"	297.085802	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"672904"	428.144002	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1284697"	166.027602	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"28716"	299.065006	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"467908"	430.123206	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"846439"	168.006806	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1567008"	168.006806	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"953798"	176.056394	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"368732"	307.114601	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"356990"	321.130251	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1501458"	190.072051	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"970087"	198.038351	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"118993"	166.027602	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"560743"	231.556702	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1024439"	100.498502	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1244749"	209.977085	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1310478"	212.033072	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1325790"	234.015029	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"917949"	244.043786	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1297940"	280.020464	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1370633"	96.045524	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1394330"	114.0555	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"292197"	263.123676	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"686437"	394.181876	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1353676"	132.065476	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"129482"	132.065476	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"570137"	197.594576	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1042217"	66.536376	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"212303"	88.3794093333333	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"647852"	132.065476	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1166706"	44.6933426666667	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"429976"	280.150223	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"792064"	411.208423	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1682931"	149.092023	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"336677"	140.5787495	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"728004"	206.1078495	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1479638"	75.0496495	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"401609"	285.105618	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"757495"	416.163818	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1605230"	154.047418	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"317456"	143.056447	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"710969"	208.585547	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1464059"	77.527347	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1055120"	52.0206566666667	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1260810"	164.091686	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"384851"	301.079558	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"748032"	432.137758	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1548992"	170.021358	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"305073"	151.043417	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"700775"	216.572517	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1456419"	85.514317	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"247208"	304.150226	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1224416"	173.092026	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1207082"	87.049651	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"195946"	307.08756	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"636602"	438.14576	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1140110"	176.02936	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"184136"	154.047418	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"625882"	219.576518	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1127566"	88.518318	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1412184"	59.3479706666667	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1441749"	178.070946	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"233994"	159.08044	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1522057"	192.12299	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"421746"	162.034388	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"779460"	227.563488	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1677979"	96.505288	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"265591"	326.132168	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1236117"	195.073968	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1721721"	195.097493	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1183067"	66.6752846666667	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1652227"	200.052888	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"159818"	339.03544	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"600471"	470.09364	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1089722"	207.97724	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"151280"	170.021358	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"589746"	235.550458	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1083543"	104.492258	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1115611"	209.991792	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1350419"	210.079407	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1018945"	214.118576	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1534883"	215.112208	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"1000236"	107.562926	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1593643"	216.026828	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1424771"	246.058338	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1155058"	128.076201	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1698415"	263.084885	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1638076"	268.04028	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1586851"	284.01422	"C05147"	"trans-3-Hydroxy-L-proline;trans-L-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"810656"	592.3247	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M"	0
"985283"	573.30631	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-H2O-H"	-19.01839
"73524"	393.875857333333	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M-3H"	-3.021828
"511990"	591.317424	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M-3H"	-3.021828
"888698"	196.434290666667	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-3H"	-3.021828
"14200"	591.317424	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M-2H"	-2.014552
"453031"	887.479774	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M-2H"	-2.014552
"832689"	295.155074	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-2H"	-2.014552
"93909"	1183.642124	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M-H"	-1.007276
"532821"	1775.966824	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M-H"	-1.007276
"911152"	591.317424	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-H"	-1.007276
"55277"	1200.668671	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M-2H+NH4"	16.019271
"495931"	1792.993371	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M-2H+NH4"	16.019271
"870452"	608.343971	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-2H+NH4"	16.019271
"42733"	1205.624066	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M-2H+Na"	20.974666
"485211"	1797.948766	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M-2H+Na"	20.974666
"857910"	613.299366	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-2H+Na"	20.974666
"1633644"	613.299366	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Na-2H"	20.974666
"107258"	609.305763	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M-H+Cl"	33.962126
"549125"	905.468113	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M-H+Cl"	33.962126
"941309"	313.143413	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-H+Cl"	33.962126
"282049"	1219.618802	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+Cl"	34.969402
"673135"	1811.943502	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+Cl"	34.969402
"1285900"	627.294102	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Cl"	34.969402
"30405"	1221.598006	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M-2H+K"	36.948606
"470084"	1813.922706	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M-2H+K"	36.948606
"844728"	629.273306	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-2H+K"	36.948606
"1567118"	629.273306	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+K-2H"	36.948606
"951721"	637.322894	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-H+HCOOH"	44.998194
"373216"	1229.647601	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+HCOOH-H"	44.998201
"359653"	1243.663251	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+Hac-H"	59.013851
"1503754"	651.338551	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Hac-H"	59.013851
"970197"	659.304851	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-H+NaCOOH"	66.980151
"119103"	627.294102	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+2Cl"	69.938804
"558667"	923.456452	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+2Cl"	69.938804
"1028560"	331.131752	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2Cl"	69.938804
"1244859"	671.243585	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Br"	78.918885
"1308402"	673.299572	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Cl+HCOOH"	80.974872
"1329181"	695.281529	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Cl+NaCOOH"	102.956829
"922069"	705.310286	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M-H+CF3COOH"	112.985586
"1291853"	741.286964	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Cl+CF3COOH"	148.962264
"1372929"	557.312024	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H-2H2O"	-35.012676
"1388243"	575.322	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H-H2O"	-17.0027
"290119"	1185.656676	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+H"	1.007276
"684723"	1777.981376	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+H"	1.007276
"1353058"	593.331976	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H"	1.007276
"131050"	593.331976	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+2H"	2.014552
"572432"	889.494326	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+2H"	2.014552
"1043420"	297.169626	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2H"	2.014552
"212413"	395.890409333333	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+3H"	3.021828
"647598"	593.331976	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+3H"	3.021828
"1164630"	198.448842666667	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+3H"	3.021828
"427900"	1202.683223	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+NH4"	18.033823
"789987"	1795.007923	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+NH4"	18.033823
"1687415"	610.358523	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+NH4"	18.033823
"338975"	601.8452495	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+H+NH4"	19.041099
"729208"	898.0075995	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+H+NH4"	19.041099
"1479019"	305.6828995	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H+NH4"	19.041099
"398439"	1207.638618	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+Na"	22.989218
"759431"	1799.963318	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+Na"	22.989218
"1604491"	615.313918	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Na"	22.989218
"320849"	604.322947	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+H+Na"	23.996494
"714364"	900.485297	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+H+Na"	23.996494
"1470371"	308.160597	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H+Na"	23.996494
"1058149"	205.776156666667	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2H+Na"	25.00377
"1260920"	625.358186	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+CH3OH+H"	33.033486
"383867"	1223.612558	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+K"	38.963158
"745955"	1815.937258	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+K"	38.963158
"1549102"	631.287858	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+K"	38.963158
"307369"	612.309917	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+H+K"	39.970434
"702344"	908.472267	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+H+K"	39.970434
"1455435"	316.147567	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H+K"	39.970434
"246953"	1226.683226	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+ACN+H"	42.033826
"1224161"	634.358526	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+ACN+H"	42.033826
"1206828"	317.682901	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+ACN+2H"	43.041102
"194964"	1229.62056	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+2Na-H"	44.97116
"634524"	1821.94526	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+2Na-H"	44.97116
"1140220"	637.29586	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2Na-H"	44.97116
"185700"	615.313918	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+2Na"	45.978436
"624896"	911.476268	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+2Na"	45.978436
"1126945"	319.151568	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2Na"	45.978436
"1411926"	213.103470666667	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H+2Na"	46.985712
"1442584"	639.337446	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H+HCOOH"	47.012746
"234831"	620.34694	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+3H2O+2H"	56.04448
"1521074"	653.38949	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+IsoProp+H"	61.06479
"418212"	623.300888	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+Na+K"	61.952376
"779206"	919.463238	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+Na+K"	61.952376
"1675901"	327.138538	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Na+K"	61.952376
"258050"	1248.665168	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+ACN+Na"	64.015768
"1230761"	656.340468	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+ACN+Na"	64.015768
"1717093"	656.363993	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+NH4+HCOOH"	64.039293
"1182447"	220.430784666667	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+3Na"	68.967654
"1653433"	661.319388	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Na+HCOOH"	68.994688
"159198"	1261.56844	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+2K-H"	76.91904
"600945"	1853.89314	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+2K-H"	76.91904
"1087279"	669.24374	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2K-H"	76.91904
"151391"	631.287858	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"2M+2K"	77.926316
"596914"	927.450208	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"3M+2K"	77.926316
"1080931"	335.125508	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2K"	77.926316
"1109766"	671.258292	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2K+H"	78.933592
"1348338"	671.345907	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+DMSO+H"	79.021207
"1019054"	675.385076	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2ACN+H"	83.060376
"1536083"	676.378708	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+IsoProp+Na+H"	84.054008
"998160"	338.196176	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+2ACN+2H"	84.067652
"1597034"	677.293328	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+K+HCOOH"	84.968628
"1422694"	707.324838	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+H+CF3COOH"	115.000138
"1154074"	358.709451	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+3ACN+2H"	125.094202
"1699252"	724.351385	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+NH4+CF3COOH"	132.026685
"1635027"	729.30678	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+Na+CF3COOH"	136.98208
"1586961"	745.28072	"C05148"	"Debromoaplysiatoxin"	"C32H48O10"	"592.3247"	"M+K+CF3COOH"	152.95602
"804206"	904.4457	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M"	0
"981019"	885.42731	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-H2O-H"	-19.01839
"63915"	601.956524	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M-3H"	-3.021828
"511008"	903.438424	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M-3H"	-3.021828
"883342"	300.474624	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-3H"	-3.021828
"12852"	903.438424	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M-2H"	-2.014552
"446945"	1355.661274	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M-2H"	-2.014552
"831310"	451.215574	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-2H"	-2.014552
"86929"	1807.884124	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M-H"	-1.007276
"533052"	2712.329824	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M-H"	-1.007276
"905387"	903.438424	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-H"	-1.007276
"49555"	1824.910671	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M-2H+NH4"	16.019271
"496041"	2729.356371	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M-2H+NH4"	16.019271
"865699"	920.464971	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-2H+NH4"	16.019271
"33358"	1829.866066	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M-2H+Na"	20.974666
"478026"	2734.311766	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M-2H+Na"	20.974666
"858020"	925.420366	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-2H+Na"	20.974666
"1633801"	925.420366	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Na-2H"	20.974666
"109640"	921.426763	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M-H+Cl"	33.962126
"549686"	1373.649613	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M-H+Cl"	33.962126
"941903"	469.203913	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-H+Cl"	33.962126
"282646"	1843.860802	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+Cl"	34.969402
"673610"	2748.306502	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+Cl"	34.969402
"1287351"	939.415102	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Cl"	34.969402
"31401"	1845.840006	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M-2H+K"	36.948606
"471303"	2750.285706	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M-2H+K"	36.948606
"845931"	941.394306	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-2H+K"	36.948606
"1569051"	941.394306	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+K-2H"	36.948606
"951832"	949.443894	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-H+HCOOH"	44.998194
"373326"	1853.889601	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+HCOOH-H"	44.998201
"359033"	1867.905251	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+Hac-H"	59.013851
"1504957"	963.459551	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Hac-H"	59.013851
"969214"	971.425851	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-H+NaCOOH"	66.980151
"119213"	939.415102	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+2Cl"	69.938804
"559870"	1391.637952	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+2Cl"	69.938804
"1028670"	487.192252	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2Cl"	69.938804
"1246064"	983.364585	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Br"	78.918885
"1306689"	985.420572	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Cl+HCOOH"	80.974872
"1328198"	1007.402529	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Cl+NaCOOH"	102.956829
"920348"	1017.431286	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M-H+CF3COOH"	112.985586
"1288676"	1053.407964	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Cl+CF3COOH"	148.962264
"1368665"	869.433024	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H-2H2O"	-35.012676
"1386530"	887.443	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H-H2O"	-17.0027
"289133"	1809.898676	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+H"	1.007276
"679366"	2714.344376	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+H"	1.007276
"1354989"	905.452976	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H"	1.007276
"126536"	905.452976	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+2H"	2.014552
"565972"	1357.675826	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+2H"	2.014552
"1037566"	453.230126	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2H"	2.014552
"205346"	603.971076	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+3H"	3.021828
"645641"	905.452976	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+3H"	3.021828
"1164739"	302.489176	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+3H"	3.021828
"426550"	1826.925223	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+NH4"	18.033823
"787177"	2731.370923	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+NH4"	18.033823
"1684606"	922.479523	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+NH4"	18.033823
"332887"	913.9662495	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+H+NH4"	19.041099
"729317"	1366.1890995	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+H+NH4"	19.041099
"1478275"	461.7433995	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H+NH4"	19.041099
"397453"	1831.880618	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+Na"	22.989218
"760635"	2736.326318	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+Na"	22.989218
"1609829"	927.434918	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Na"	22.989218
"320960"	916.443947	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+H+Na"	23.996494
"712288"	1368.666797	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+H+Na"	23.996494
"1466107"	464.221097	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H+Na"	23.996494
"1060446"	309.81649	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2H+Na"	25.00377
"1261030"	937.479186	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+CH3OH+H"	33.033486
"385072"	1847.854558	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+K"	38.963158
"746066"	2752.300258	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+K"	38.963158
"1548119"	943.408858	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+K"	38.963158
"303107"	924.430917	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+H+K"	39.970434
"702088"	1376.653767	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+H+K"	39.970434
"1453723"	472.208067	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H+K"	39.970434
"245604"	1850.925226	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+ACN+H"	42.033826
"1219409"	946.479526	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+ACN+H"	42.033826
"1202197"	473.743401	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+ACN+2H"	43.041102
"197261"	1853.86256	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+2Na-H"	44.97116
"634634"	2758.30826	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+2Na-H"	44.97116
"1141423"	949.41686	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2Na-H"	44.97116
"184715"	927.434918	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+2Na"	45.978436
"625370"	1379.657768	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+2Na"	45.978436
"1128512"	475.212068	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2Na"	45.978436
"1409848"	317.143804	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H+2Na"	46.985712
"1443787"	951.458446	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H+HCOOH"	47.012746
"233482"	932.46794	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+3H2O+2H"	56.04448
"1519724"	965.51049	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+IsoProp+H"	61.06479
"414310"	935.421888	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+Na+K"	61.952376
"777494"	1387.644738	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+Na+K"	61.952376
"1671637"	483.199038	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Na+K"	61.952376
"258159"	1872.907168	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+ACN+Na"	64.015768
"1229047"	968.461468	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+ACN+Na"	64.015768
"1714650"	968.484993	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+NH4+HCOOH"	64.039293
"1181097"	324.471118	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+3Na"	68.967654
"1653541"	973.440388	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Na+HCOOH"	68.994688
"158215"	1885.81044	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+2K-H"	76.91904
"597773"	2790.25614	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+2K-H"	76.91904
"1085565"	981.36474	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2K-H"	76.91904
"150407"	943.408858	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"2M+2K"	77.926316
"596739"	1395.631708	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"3M+2K"	77.926316
"1075572"	491.186008	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2K"	77.926316
"1108781"	983.379292	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2K+H"	78.933592
"1345167"	983.466907	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+DMSO+H"	79.021207
"1016977"	987.506076	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2ACN+H"	83.060376
"1532912"	988.499708	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+IsoProp+Na+H"	84.054008
"993895"	494.256676	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+2ACN+2H"	84.067652
"1597144"	989.414328	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+K+HCOOH"	84.968628
"1423898"	1019.445838	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+H+CF3COOH"	115.000138
"1151999"	514.769951	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+3ACN+2H"	125.094202
"1697292"	1036.472385	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+NH4+CF3COOH"	132.026685
"1635016"	1041.42778	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+Na+CF3COOH"	136.98208
"1583791"	1057.40172	"C05149"	"Bryostatin 1"	"C47H68O17"	"904.4457"	"M+K+CF3COOH"	152.95602
"815252"	451.3199	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M"	0
"985504"	432.30151	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-H2O-H"	-19.01839
"69372"	299.872657333333	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M-3H"	-3.021828
"511119"	450.312624	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M-3H"	-3.021828
"890015"	149.432690666667	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-3H"	-3.021828
"12598"	450.312624	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M-2H"	-2.014552
"451429"	675.972574	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M-2H"	-2.014552
"828135"	224.652674	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-2H"	-2.014552
"91414"	901.632524	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M-H"	-1.007276
"532070"	1352.952424	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M-H"	-1.007276
"905497"	450.312624	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-H"	-1.007276
"49299"	918.659071	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M-2H+NH4"	16.019271
"495058"	1369.978971	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M-2H+NH4"	16.019271
"865445"	467.339171	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-2H+NH4"	16.019271
"32373"	923.614466	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M-2H+Na"	20.974666
"478136"	1374.934366	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M-2H+Na"	20.974666
"858130"	472.294566	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-2H+Na"	20.974666
"1634070"	472.294566	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Na-2H"	20.974666
"109664"	468.300963	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M-H+Cl"	33.962126
"549800"	693.960913	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M-H+Cl"	33.962126
"940914"	242.641013	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-H+Cl"	33.962126
"282269"	937.609202	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+Cl"	34.969402
"673722"	1388.929102	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+Cl"	34.969402
"1286488"	486.289302	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Cl"	34.969402
"29773"	939.588406	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M-2H+K"	36.948606
"469333"	1390.908306	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M-2H+K"	36.948606
"846043"	488.268506	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-2H+K"	36.948606
"1566250"	488.268506	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+K-2H"	36.948606
"951945"	496.318094	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-H+HCOOH"	44.998194
"370158"	947.638001	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+HCOOH-H"	44.998201
"354045"	961.653651	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+Hac-H"	59.013851
"1501786"	510.333751	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Hac-H"	59.013851
"968232"	518.300051	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-H+NaCOOH"	66.980151
"118231"	486.289302	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+2Cl"	69.938804
"558886"	711.949252	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+2Cl"	69.938804
"1028780"	260.629352	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2Cl"	69.938804
"1243987"	530.238785	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Br"	78.918885
"1308621"	532.294772	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Cl+HCOOH"	80.974872
"1328308"	554.276729	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Cl+NaCOOH"	102.956829
"919365"	564.305486	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M-H+CF3COOH"	112.985586
"1289517"	600.282164	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Cl+CF3COOH"	148.962264
"1370962"	416.307224	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H-2H2O"	-35.012676
"1388463"	434.3172	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H-H2O"	-17.0027
"289243"	903.647076	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+H"	1.007276
"679476"	1354.966976	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+H"	1.007276
"1360204"	452.327176	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H"	1.007276
"128718"	452.327176	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+2H"	2.014552
"565964"	677.987126	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+2H"	2.014552
"1037437"	226.667226	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2H"	2.014552
"204850"	301.887209333333	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+3H"	3.021828
"648910"	452.327176	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+3H"	3.021828
"1164851"	151.447242666667	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+3H"	3.021828
"427026"	920.673623	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+NH4"	18.033823
"789116"	1371.993523	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+NH4"	18.033823
"1684356"	469.353723	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+NH4"	18.033823
"331541"	460.8404495	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+H+NH4"	19.041099
"724446"	686.5003995	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+H+NH4"	19.041099
"1478876"	235.1804995	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H+NH4"	19.041099
"399752"	925.629018	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+Na"	22.989218
"761842"	1376.948918	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+Na"	22.989218
"1614314"	474.309118	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Na"	22.989218
"323258"	463.318147	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+H+Na"	23.996494
"716773"	688.978097	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+H+Na"	23.996494
"1468405"	237.658197	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H+Na"	23.996494
"1061650"	158.774556666667	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2H+Na"	25.00377
"1261140"	484.353386	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+CH3OH+H"	33.033486
"384089"	941.602958	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+K"	38.963158
"746177"	1392.922858	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+K"	38.963158
"1548229"	490.283058	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+K"	38.963158
"303218"	471.305117	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+H+K"	39.970434
"697097"	696.965067	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+H+K"	39.970434
"1449823"	245.645167	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H+K"	39.970434
"243529"	944.673626	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+ACN+H"	42.033826
"1218425"	493.353726	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+ACN+H"	42.033826
"1201214"	247.180501	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+ACN+2H"	43.041102
"201018"	947.61096	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+2Na-H"	44.97116
"639121"	1398.93086	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+2Na-H"	44.97116
"1139348"	496.29106	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2Na-H"	44.97116
"185555"	474.309118	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+2Na"	45.978436
"617826"	699.969068	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+2Na"	45.978436
"1128989"	248.649168	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2Na"	45.978436
"1412149"	166.101870666667	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H+2Na"	46.985712
"1444264"	498.332646	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H+HCOOH"	47.012746
"233231"	479.34214	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+3H2O+2H"	56.04448
"1520563"	512.38469	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+IsoProp+H"	61.06479
"415514"	482.296088	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+Na+K"	61.952376
"779791"	707.956038	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+Na+K"	61.952376
"1672842"	256.636138	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Na+K"	61.952376
"261184"	966.655568	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+ACN+Na"	64.015768
"1229887"	515.335668	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+ACN+Na"	64.015768
"1714760"	515.359193	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+NH4+HCOOH"	64.039293
"1180481"	173.429184666667	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+3Na"	68.967654
"1652558"	520.314588	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Na+HCOOH"	68.994688
"158324"	979.55884	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+2K-H"	76.91904
"597885"	1430.87874	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+2K-H"	76.91904
"1084825"	528.23894	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2K-H"	76.91904
"143591"	490.283058	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"2M+2K"	77.926316
"588985"	715.943008	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"3M+2K"	77.926316
"1073496"	264.623108	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2K"	77.926316
"1111080"	530.253492	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2K+H"	78.933592
"1340903"	530.341107	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+DMSO+H"	79.021207
"1017087"	534.380276	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2ACN+H"	83.060376
"1530837"	535.373908	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+IsoProp+Na+H"	84.054008
"995099"	267.693776	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+2ACN+2H"	84.067652
"1587288"	536.288528	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+K+HCOOH"	84.968628
"1419634"	566.320038	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+H+CF3COOH"	115.000138
"1152109"	288.207051	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+3ACN+2H"	125.094202
"1699475"	583.346585	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+NH4+CF3COOH"	132.026685
"1640593"	588.30198	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+Na+CF3COOH"	136.98208
"1583901"	604.27592	"C05150"	"Teleocidin B-1;(4S7S10S13R)-13-Ethenyl-13457810111213-decahydro-4-(hydroxymethyl)-81013-trimethyl-710-diisopropyl-6H-benzog14diazonino765-cdindol-6-one"	"C28H41N3O2"	"451.3199"	"M+K+CF3COOH"	152.95602
"804424"	616.3975	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M"	0
"981239"	597.37911	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-H2O-H"	-19.01839
"70575"	409.924390666667	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M-3H"	-3.021828
"511228"	615.390224	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M-3H"	-3.021828
"889030"	204.458557333333	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-3H"	-3.021828
"9792"	615.390224	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M-2H"	-2.014552
"452632"	923.588974	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M-2H"	-2.014552
"828245"	307.191474	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-2H"	-2.014552
"91403"	1231.787724	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M-H"	-1.007276
"531939"	1848.185224	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M-H"	-1.007276
"902328"	615.390224	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-H"	-1.007276
"52328"	1248.814271	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M-2H+NH4"	16.019271
"489699"	1865.211771	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M-2H+NH4"	16.019271
"866042"	632.416771	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-2H+NH4"	16.019271
"32484"	1253.769666	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M-2H+Na"	20.974666
"476058"	1870.167166	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M-2H+Na"	20.974666
"854959"	637.372166	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-2H+Na"	20.974666
"1632635"	637.372166	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Na-2H"	20.974666
"109166"	633.378563	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M-H+Cl"	33.962126
"549539"	941.577313	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M-H+Cl"	33.962126
"940538"	325.179813	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-H+Cl"	33.962126
"282500"	1267.764402	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+Cl"	34.969402
"674926"	1884.161902	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+Cl"	34.969402
"1285137"	651.366902	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Cl"	34.969402
"30816"	1269.743606	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M-2H+K"	36.948606
"468348"	1886.141106	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M-2H+K"	36.948606
"847978"	653.346106	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-2H+K"	36.948606
"1565269"	653.346106	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+K-2H"	36.948606
"954242"	661.395694	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-H+HCOOH"	44.998194
"369178"	1277.793201	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+HCOOH-H"	44.998201
"354156"	1291.808851	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+Hac-H"	59.013851
"1504084"	675.411351	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Hac-H"	59.013851
"966156"	683.377651	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-H+NaCOOH"	66.980151
"120527"	651.366902	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+2Cl"	69.938804
"560090"	959.565652	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+2Cl"	69.938804
"1028893"	343.168152	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2Cl"	69.938804
"1248472"	695.316385	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Br"	78.918885
"1308733"	697.372372	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Cl+HCOOH"	80.974872
"1328418"	719.354329	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Cl+NaCOOH"	102.956829
"918382"	729.383086	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M-H+CF3COOH"	112.985586
"1289991"	765.359764	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Cl+CF3COOH"	148.962264
"1368521"	581.384824	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H-2H2O"	-35.012676
"1388573"	599.3948	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H-H2O"	-17.0027
"289353"	1233.802276	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+H"	1.007276
"681773"	1850.199776	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+H"	1.007276
"1358128"	617.404776	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H"	1.007276
"128829"	617.404776	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+2H"	2.014552
"569481"	925.603526	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+2H"	2.014552
"1041561"	309.206026	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2H"	2.014552
"208368"	411.938942666667	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+3H"	3.021828
"652301"	617.404776	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+3H"	3.021828
"1163134"	206.473109333333	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+3H"	3.021828
"425315"	1250.828823	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+NH4"	18.033823
"789225"	1867.226323	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+NH4"	18.033823
"1683732"	634.431323	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+NH4"	18.033823
"333107"	625.9180495	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+H+NH4"	19.041099
"723053"	934.1167995	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+H+NH4"	19.041099
"1477355"	317.7192995	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H+NH4"	19.041099
"402049"	1255.784218	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+Na"	22.989218
"761952"	1872.181718	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+Na"	22.989218
"1607864"	639.386718	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Na"	22.989218
"325555"	628.395747	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+H+Na"	23.996494
"716883"	936.594497	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+H+Na"	23.996494
"1468516"	320.196997	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H+Na"	23.996494
"1061395"	213.800423333333	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2H+Na"	25.00377
"1263437"	649.430986	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+CH3OH+H"	33.033486
"385291"	1271.758158	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+K"	38.963158
"746287"	1888.155658	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+K"	38.963158
"1550161"	655.360658	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+K"	38.963158
"303328"	636.382717	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+H+K"	39.970434
"699029"	944.581467	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+H+K"	39.970434
"1452850"	328.183967	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H+K"	39.970434
"240358"	1274.828826	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+ACN+H"	42.033826
"1214525"	658.431326	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+ACN+H"	42.033826
"1201323"	329.719301	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+ACN+2H"	43.041102
"202100"	1277.76616	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+2Na-H"	44.97116
"640687"	1894.16366	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+2Na-H"	44.97116
"1141645"	661.36866	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2Na-H"	44.97116
"186394"	639.386718	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+2Na"	45.978436
"620853"	947.585468	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+2Na"	45.978436
"1121443"	331.187968	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2Na"	45.978436
"1410800"	221.127737333333	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H+2Na"	46.985712
"1444011"	663.410246	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H+HCOOH"	47.012746
"232610"	644.41974	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+3H2O+2H"	56.04448
"1520673"	677.46229	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+IsoProp+H"	61.06479
"415624"	647.373688	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+Na+K"	61.952376
"780994"	955.572438	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+Na+K"	61.952376
"1676232"	339.174938	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Na+K"	61.952376
"261659"	1296.810768	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+ACN+Na"	64.015768
"1232184"	680.413268	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+ACN+Na"	64.015768
"1722891"	680.436793	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+NH4+HCOOH"	64.039293
"1182050"	228.455051333333	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+3Na"	68.967654
"1652307"	685.392188	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Na+HCOOH"	68.994688
"164269"	1309.71404	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+2K-H"	76.91904
"597631"	1926.11154	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+2K-H"	76.91904
"1085423"	693.31654	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2K-H"	76.91904
"146252"	655.360658	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"2M+2K"	77.926316
"592375"	963.559408	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"3M+2K"	77.926316
"1075793"	347.161908	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2K"	77.926316
"1112284"	695.331092	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2K+H"	78.933592
"1345386"	695.418707	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+DMSO+H"	79.021207
"1019384"	699.457876	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2ACN+H"	83.060376
"1533134"	700.451508	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+IsoProp+Na+H"	84.054008
"998489"	350.232576	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+2ACN+2H"	84.067652
"1589712"	701.366128	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+K+HCOOH"	84.968628
"1421931"	731.397638	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+H+CF3COOH"	115.000138
"1150033"	370.745851	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+3ACN+2H"	125.094202
"1700678"	748.424185	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+NH4+CF3COOH"	132.026685
"1640703"	753.37958	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+Na+CF3COOH"	136.98208
"1584011"	769.35352	"C05151"	"12-O-Tetradecanoylphorbol 13-acetate;TPA;Phorbol 12-myristate 13-acetate;12-Tetradecanoylphorbol 13-acetate;PMA"	"C36H56O8"	"616.3975"	"M+K+CF3COOH"	152.95602
"804534"	285.0152	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M"	0
"981349"	265.99681	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-H2O-H"	-19.01839
"67404"	189.002857333333	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M-3H"	-3.021828
"510245"	284.007924	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M-3H"	-3.021828
"885858"	93.9977906666667	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-3H"	-3.021828
"8806"	284.007924	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M-2H"	-2.014552
"450554"	426.515524	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M-2H"	-2.014552
"822886"	141.500324	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-2H"	-2.014552
"92606"	569.023124	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M-H"	-1.007276
"530104"	854.038324	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M-H"	-1.007276
"907902"	284.007924	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-H"	-1.007276
"53532"	586.049671	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M-2H+NH4"	16.019271
"490537"	871.064871	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M-2H+NH4"	16.019271
"866152"	301.034471	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-2H+NH4"	16.019271
"33687"	591.005066	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M-2H+Na"	20.974666
"476168"	876.020266	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M-2H+Na"	20.974666
"859443"	305.989866	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-2H+Na"	20.974666
"1631774"	305.989866	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Na-2H"	20.974666
"108794"	301.996263	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M-H+Cl"	33.962126
"548840"	444.503863	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M-H+Cl"	33.962126
"935300"	159.488663	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-H+Cl"	33.962126
"281762"	604.999802	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+Cl"	34.969402
"672850"	890.015002	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+Cl"	34.969402
"1286340"	319.984602	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Cl"	34.969402
"30482"	606.979006	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M-2H+K"	36.948606
"469552"	891.994206	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M-2H+K"	36.948606
"846264"	321.963806	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-2H+K"	36.948606
"1565379"	321.963806	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+K-2H"	36.948606
"953259"	330.013394	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-H+HCOOH"	44.998194
"370381"	615.028601	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+HCOOH-H"	44.998201
"353173"	629.044251	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+Hac-H"	59.013851
"1504194"	344.029051	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Hac-H"	59.013851
"966266"	351.995351	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-H+NaCOOH"	66.980151
"116265"	319.984602	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+2Cl"	69.938804
"558013"	462.492202	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+2Cl"	69.938804
"1030096"	177.477002	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2Cl"	69.938804
"1252957"	363.934085	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Br"	78.918885
"1309936"	365.990072	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Cl+HCOOH"	80.974872
"1329621"	387.972029	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Cl+NaCOOH"	102.956829
"919585"	398.000786	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M-H+CF3COOH"	112.985586
"1289009"	433.977464	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Cl+CF3COOH"	148.962264
"1371547"	250.002524	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H-2H2O"	-35.012676
"1388683"	268.0125	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H-H2O"	-17.0027
"289463"	571.037676	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+H"	1.007276
"685163"	856.052876	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+H"	1.007276
"1358237"	286.022476	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H"	1.007276
"131127"	286.022476	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+2H"	2.014552
"569591"	428.530076	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+2H"	2.014552
"1041671"	143.514876	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2H"	2.014552
"206292"	191.017409333333	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+3H"	3.021828
"652411"	286.022476	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+3H"	3.021828
"1166161"	96.0123426666667	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+3H"	3.021828
"426154"	588.064223	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+NH4"	18.033823
"790428"	873.079423	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+NH4"	18.033823
"1684206"	303.049023	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+NH4"	18.033823
"332485"	294.5357495	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+H+NH4"	19.041099
"728554"	437.0433495	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+H+NH4"	19.041099
"1477753"	152.0281495	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H+NH4"	19.041099
"402155"	593.019618	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+Na"	22.989218
"763154"	878.034818	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+Na"	22.989218
"1611254"	308.004418	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Na"	22.989218
"320197"	297.013447	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+H+Na"	23.996494
"711525"	439.521047	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+H+Na"	23.996494
"1466439"	154.505847	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H+Na"	23.996494
"1061869"	103.339656666667	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2H+Na"	25.00377
"1266826"	318.048686	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+CH3OH+H"	33.033486
"385401"	608.993558	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+K"	38.963158
"743116"	894.008758	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+K"	38.963158
"1544075"	323.978358	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+K"	38.963158
"302345"	305.000417	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+H+K"	39.970434
"692577"	447.508017	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+H+K"	39.970434
"1449680"	162.492817	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H+K"	39.970434
"239375"	612.064226	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+ACN+H"	42.033826
"1214270"	327.049026	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+ACN+H"	42.033826
"1200338"	164.028151	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+ACN+2H"	43.041102
"197591"	615.00156	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+2Na-H"	44.97116
"634962"	900.01676	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+2Na-H"	44.97116
"1142850"	329.98636	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2Na-H"	44.97116
"184318"	308.004418	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+2Na"	45.978436
"622057"	450.512018	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+2Na"	45.978436
"1121553"	165.496818	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2Na"	45.978436
"1410546"	110.666970666667	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H+2Na"	46.985712
"1441934"	332.027946	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H+HCOOH"	47.012746
"231627"	313.03744	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+3H2O+2H"	56.04448
"1516044"	346.07999	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+IsoProp+H"	61.06479
"420105"	315.991388	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+Na+K"	61.952376
"780009"	458.498988	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+Na+K"	61.952376
"1675248"	173.483788	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Na+K"	61.952376
"260676"	634.046168	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+ACN+Na"	64.015768
"1233386"	349.030968	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+ACN+Na"	64.015768
"1724094"	349.054493	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+NH4+HCOOH"	64.039293
"1181066"	117.994284666667	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+3Na"	68.967654
"1654239"	354.009888	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Na+HCOOH"	68.994688
"163285"	646.94944	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+2K-H"	76.91904
"605033"	931.96464	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+2K-H"	76.91904
"1085534"	361.93424	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2K-H"	76.91904
"145268"	323.978358	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"2M+2K"	77.926316
"588111"	466.485958	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"3M+2K"	77.926316
"1076994"	181.470758	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2K"	77.926316
"1108019"	363.948792	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2K+H"	78.933592
"1344403"	364.036407	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+DMSO+H"	79.021207
"1014026"	368.075576	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2ACN+H"	83.060376
"1533245"	369.069208	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+IsoProp+Na+H"	84.054008
"997506"	184.541426	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+2ACN+2H"	84.067652
"1593102"	369.983828	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+K+HCOOH"	84.968628
"1422041"	400.015338	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+H+CF3COOH"	115.000138
"1149050"	205.054701	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+3ACN+2H"	125.094202
"1700788"	417.041885	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+NH4+CF3COOH"	132.026685
"1640813"	421.99728	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+Na+CF3COOH"	136.98208
"1584121"	437.97122	"C05155"	"5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone"	"C10H8ClN3O5"	"285.0152"	"M+K+CF3COOH"	152.95602
"807927"	326.1002	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M"	0
"981459"	307.08181	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-H2O-H"	-19.01839
"67514"	216.392857333333	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M-3H"	-3.021828
"505981"	325.092924	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M-3H"	-3.021828
"883780"	107.692790666667	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-3H"	-3.021828
"3450"	325.092924	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M-2H"	-2.014552
"455540"	488.143024	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M-2H"	-2.014552
"821916"	162.042824	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-2H"	-2.014552
"89560"	651.193124	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M-H"	-1.007276
"524746"	977.293324	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M-H"	-1.007276
"902550"	325.092924	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-H"	-1.007276
"53643"	668.219671	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M-2H+NH4"	16.019271
"490285"	994.319871	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M-2H+NH4"	16.019271
"868086"	342.119471	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-2H+NH4"	16.019271
"46205"	673.175066	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M-2H+Na"	20.974666
"486012"	999.275266	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M-2H+Na"	20.974666
"863651"	347.074866	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-2H+Na"	20.974666
"1633791"	347.074866	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Na-2H"	20.974666
"108656"	343.081263	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M-H+Cl"	33.962126
"549435"	506.131363	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M-H+Cl"	33.962126
"941617"	180.031163	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-H+Cl"	33.962126
"282113"	687.169802	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+Cl"	34.969402
"673688"	1013.270002	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+Cl"	34.969402
"1286693"	361.069602	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Cl"	34.969402
"29738"	689.149006	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M-2H+K"	36.948606
"468210"	1015.249206	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M-2H+K"	36.948606
"844189"	363.048806	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-2H+K"	36.948606
"1565489"	363.048806	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+K-2H"	36.948606
"948998"	371.098394	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-H+HCOOH"	44.998194
"374871"	697.198601	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+HCOOH-H"	44.998201
"360579"	711.214251	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+Hac-H"	59.013851
"1504304"	385.114051	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Hac-H"	59.013851
"972940"	393.080351	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-H+NaCOOH"	66.980151
"117474"	361.069602	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+2Cl"	69.938804
"561411"	524.119702	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+2Cl"	69.938804
"1030209"	198.019502	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2Cl"	69.938804
"1254163"	405.019085	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Br"	78.918885
"1316611"	407.075072	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Cl+HCOOH"	80.974872
"1332662"	429.057029	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Cl+NaCOOH"	102.956829
"922989"	439.085786	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M-H+CF3COOH"	112.985586
"1300432"	475.062464	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Cl+CF3COOH"	148.962264
"1378956"	291.087524	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H-2H2O"	-35.012676
"1396088"	309.0975	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H-H2O"	-17.0027
"289580"	653.207676	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+H"	1.007276
"680908"	979.307876	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+H"	1.007276
"1355070"	327.107476	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H"	1.007276
"127228"	327.107476	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+2H"	2.014552
"571891"	490.157576	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+2H"	2.014552
"1043971"	164.057376	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2H"	2.014552
"205672"	218.407409333333	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+3H"	3.021828
"651433"	327.107476	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+3H"	3.021828
"1166277"	109.707342666667	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+3H"	3.021828
"425050"	670.234223	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+NH4"	18.033823
"787014"	996.334423	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+NH4"	18.033823
"1686875"	344.134023	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+NH4"	18.033823
"331506"	335.6207495	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+H+NH4"	19.041099
"729770"	498.6708495	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+H+NH4"	19.041099
"1485775"	172.5706495	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H+NH4"	19.041099
"403362"	675.189618	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+Na"	22.989218
"763266"	1001.289818	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+Na"	22.989218
"1615372"	349.089418	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Na"	22.989218
"322493"	338.098447	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+H+Na"	23.996494
"716009"	501.148547	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+H+Na"	23.996494
"1472016"	175.048347	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H+Na"	23.996494
"1064895"	117.034656666667	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2H+Na"	25.00377
"1269124"	359.133686	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+CH3OH+H"	33.033486
"388792"	691.163558	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+K"	38.963158
"747600"	1017.263758	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+K"	38.963158
"1549653"	365.063358	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+K"	38.963158
"302455"	346.085417	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+H+K"	39.970434
"695969"	509.135517	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+H+K"	39.970434
"1447601"	183.035317	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H+K"	39.970434
"243859"	694.234226	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+ACN+H"	42.033826
"1217663"	368.134026	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+ACN+H"	42.033826
"1200453"	184.570651	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+ACN+2H"	43.041102
"198798"	697.17156	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+2Na-H"	44.97116
"641278"	1023.27176	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+2Na-H"	44.97116
"1141866"	371.07136	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2Na-H"	44.97116
"184065"	349.089418	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+2Na"	45.978436
"619249"	512.139518	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+2Na"	45.978436
"1123848"	186.039318	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2Na"	45.978436
"1405186"	124.361970666667	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H+2Na"	46.985712
"1441679"	373.112946	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H+HCOOH"	47.012746
"232104"	354.12244	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+3H2O+2H"	56.04448
"1521990"	387.16499	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+IsoProp+H"	61.06479
"422044"	357.076388	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+Na+K"	61.952376
"782309"	520.126488	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+Na+K"	61.952376
"1675359"	194.026288	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Na+K"	61.952376
"263704"	716.216168	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+ACN+Na"	64.015768
"1233498"	390.115968	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+ACN+Na"	64.015768
"1719105"	390.139493	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+NH4+HCOOH"	64.039293
"1188829"	131.689284666667	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+3Na"	68.967654
"1662002"	395.094888	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Na+HCOOH"	68.994688
"160119"	729.11944	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+2K-H"	76.91904
"602958"	1055.21964	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+2K-H"	76.91904
"1092936"	403.01924	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2K-H"	76.91904
"151939"	365.063358	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"2M+2K"	77.926316
"591498"	528.113458	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"3M+2K"	77.926316
"1076012"	202.013258	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2K"	77.926316
"1105940"	405.033792	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2K+H"	78.933592
"1345608"	405.121407	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+DMSO+H"	79.021207
"1014138"	409.160576	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2ACN+H"	83.060376
"1528981"	410.154208	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+IsoProp+Na+H"	84.054008
"992147"	205.083926	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+2ACN+2H"	84.067652
"1592118"	411.068828	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+K+HCOOH"	84.968628
"1417780"	441.100338	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+H+CF3COOH"	115.000138
"1150256"	225.597201	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+3ACN+2H"	125.094202
"1700900"	458.126885	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+NH4+CF3COOH"	132.026685
"1637646"	463.08228	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+Na+CF3COOH"	136.98208
"1584233"	479.05622	"C05158"	"trans-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarate"	"C15H18O8"	"326.1002"	"M+K+CF3COOH"	152.95602
"811318"	146.1055	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M"	0
"987038"	127.08711	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-H2O-H"	-19.01839
"64345"	96.3963906666667	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M-3H"	-3.021828
"507182"	145.098224	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M-3H"	-3.021828
"888269"	47.6945573333333	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-3H"	-3.021828
"7944"	145.098224	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M-2H"	-2.014552
"450783"	218.150974	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M-2H"	-2.014552
"826399"	72.045474	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-2H"	-2.014552
"83474"	291.203724	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M-H"	-1.007276
"521940"	437.309224	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M-H"	-1.007276
"899014"	145.098224	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-H"	-1.007276
"50474"	308.230271	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M-2H+NH4"	16.019271
"490763"	454.335771	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M-2H+NH4"	16.019271
"879144"	162.124771	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-2H+NH4"	16.019271
"45228"	313.185666	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M-2H+Na"	20.974666
"486366"	459.291166	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M-2H+Na"	20.974666
"864082"	167.080166	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-2H+Na"	20.974666
"1632966"	167.080166	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Na-2H"	20.974666
"106457"	163.086563	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M-H+Cl"	33.962126
"549178"	236.139313	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M-H+Cl"	33.962126
"941606"	90.033813	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-H+Cl"	33.962126
"282350"	327.180402	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+Cl"	34.969402
"675377"	473.285902	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+Cl"	34.969402
"1286567"	181.074902	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Cl"	34.969402
"28401"	329.159606	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M-2H+K"	36.948606
"469055"	475.265106	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M-2H+K"	36.948606
"844300"	183.054106	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-2H+K"	36.948606
"1565601"	183.054106	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+K-2H"	36.948606
"956771"	191.103694	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-H+HCOOH"	44.998194
"374985"	337.209201	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+HCOOH-H"	44.998201
"358868"	351.224851	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+Hac-H"	59.013851
"1506969"	205.119351	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Hac-H"	59.013851
"968679"	213.085651	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-H+NaCOOH"	66.980151
"122327"	181.074902	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+2Cl"	69.938804
"561888"	254.127652	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+2Cl"	69.938804
"1032510"	108.022152	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2Cl"	69.938804
"1252455"	225.024385	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Br"	78.918885
"1317831"	227.080372	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Cl+HCOOH"	80.974872
"1334595"	249.062329	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Cl+NaCOOH"	102.956829
"923103"	259.091086	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M-H+CF3COOH"	112.985586
"1302729"	295.067764	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Cl+CF3COOH"	148.962264
"1380892"	111.092824	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H-2H2O"	-35.012676
"1395472"	129.1028	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H-H2O"	-17.0027
"283857"	293.218276	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+H"	1.007276
"687577"	439.323776	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+H"	1.007276
"1357366"	147.112776	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H"	1.007276
"134629"	147.112776	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+2H"	2.014552
"576375"	220.165526	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+2H"	2.014552
"1039707"	74.060026	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2H"	2.014552
"213077"	98.4109426666667	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+3H"	3.021828
"652636"	147.112776	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+3H"	3.021828
"1170763"	49.7091093333333	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+3H"	3.021828
"425649"	310.244823	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+NH4"	18.033823
"795031"	456.350323	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+NH4"	18.033823
"1684800"	164.139323	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+NH4"	18.033823
"336364"	155.6260495	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+H+NH4"	19.041099
"726594"	228.6787995	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+H+NH4"	19.041099
"1483695"	82.5732995	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H+NH4"	19.041099
"394720"	315.200218	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+Na"	22.989218
"754616"	461.305718	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+Na"	22.989218
"1608188"	169.094718	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Na"	22.989218
"319318"	158.103747	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+H+Na"	23.996494
"716115"	231.156497	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+H+Na"	23.996494
"1471029"	85.050997	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H+Na"	23.996494
"1066099"	57.0364233333333	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2H+Na"	25.00377
"1268140"	179.138986	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+CH3OH+H"	33.033486
"386716"	331.174158	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+K"	38.963158
"748805"	477.279658	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+K"	38.963158
"1551950"	185.068658	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+K"	38.963158
"301471"	166.090717	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+H+K"	39.970434
"693164"	239.143467	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+H+K"	39.970434
"1452093"	93.037967	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H+K"	39.970434
"241783"	334.244826	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+ACN+H"	42.033826
"1213400"	188.139326	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+ACN+H"	42.033826
"1202758"	94.573301	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+ACN+2H"	43.041102
"200003"	337.18216	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+2Na-H"	44.97116
"642119"	483.28766	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+2Na-H"	44.97116
"1144532"	191.07666	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2Na-H"	44.97116
"185633"	169.094718	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+2Na"	45.978436
"619359"	242.147468	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+2Na"	45.978436
"1122866"	96.041968	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2Na"	45.978436
"1402015"	64.3637373333333	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H+2Na"	46.985712
"1440329"	193.118246	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H+HCOOH"	47.012746
"230388"	174.12774	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+3H2O+2H"	56.04448
"1520645"	207.17029	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+IsoProp+H"	61.06479
"417053"	177.081688	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+Na+K"	61.952376
"780961"	250.134438	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+Na+K"	61.952376
"1677656"	104.028938	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Na+K"	61.952376
"260899"	356.226768	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+ACN+Na"	64.015768
"1225994"	210.121268	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+ACN+Na"	64.015768
"1717027"	210.144793	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+NH4+HCOOH"	64.039293
"1183473"	71.6910513333333	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+3Na"	68.967654
"1651179"	215.100188	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Na+HCOOH"	68.994688
"158042"	369.13004	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+2K-H"	76.91904
"599058"	515.23554	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+2K-H"	76.91904
"1085757"	223.02454	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2K-H"	76.91904
"146583"	185.068658	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"2M+2K"	77.926316
"587239"	258.121408	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"3M+2K"	77.926316
"1076123"	112.015908	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2K"	77.926316
"1102774"	225.039092	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2K+H"	78.933592
"1340251"	225.126707	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+DMSO+H"	79.021207
"1009876"	229.165876	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2ACN+H"	83.060376
"1527269"	230.159508	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+IsoProp+Na+H"	84.054008
"991890"	115.086576	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+2ACN+2H"	84.067652
"1593324"	231.074128	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+K+HCOOH"	84.968628
"1417890"	261.105638	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+H+CF3COOH"	115.000138
"1151460"	135.599851	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+3ACN+2H"	125.094202
"1697243"	278.132185	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+NH4+CF3COOH"	132.026685
"1643226"	283.08758	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+Na+CF3COOH"	136.98208
"1584344"	299.06152	"C05161"	"25-Diaminohexanoate"	"C6H14N2O2"	"146.1055"	"M+K+CF3COOH"	152.95602
"804867"	194.079	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M"	0
"981680"	175.06061	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"63601"	128.378724	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"503200"	193.071724	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"882911"	63.685724	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"4774"	193.071724	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"447614"	290.111224	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"824323"	96.032224	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"86500"	387.150724	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"522053"	581.229724	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"899855"	193.071724	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"50220"	404.177271	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"493427"	598.256271	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"879377"	210.098271	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"45334"	409.132666	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"486352"	603.211666	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"861962"	215.053666	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1632591"	215.053666	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"106931"	211.060063	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"548679"	308.099563	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"942564"	114.020563	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"280753"	423.127402	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"674146"	617.206402	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1285221"	229.048402	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"26324"	425.106606	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"467704"	619.185606	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"843317"	231.027606	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1568628"	231.027606	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"956518"	239.077194	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"373274"	433.156201	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"359339"	447.171851	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1506351"	253.092851	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"965507"	261.059151	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"120978"	229.048402	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"556163"	326.087902	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1032620"	132.008902	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1254749"	272.997885	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1317939"	275.053872	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1332882"	297.035829	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"924306"	307.064586	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1302112"	343.041264	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1380274"	159.066324	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1395582"	177.0763	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"295268"	389.165276	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"689509"	583.244276	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1358569"	195.086276	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"134739"	195.086276	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"575392"	292.125776	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1038724"	98.046776	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"212093"	130.393276	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"653840"	195.086276	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1170873"	65.700276	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"424908"	406.191823	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"795141"	600.270823	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1686003"	212.112823	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"336476"	203.5995495	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"728892"	300.6390495	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1482716"	106.5600495	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"400299"	411.147218	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"759109"	605.226218	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1610486"	217.068218	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"322710"	206.077247	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"717320"	303.116747	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1468951"	109.037747	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1064385"	73.02759	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1268250"	227.112486	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"385732"	427.121158	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"746728"	621.200158	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1546594"	233.042158	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"302674"	214.064217	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"694001"	311.103717	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1451108"	117.024717	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"239706"	430.191826	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1213510"	236.112826	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1207972"	118.560051	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"200113"	433.12916	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"643323"	627.20816	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1144640"	239.05016	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"185381"	217.068218	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"620564"	314.107718	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1122976"	120.028718	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1406499"	80.354904	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1440805"	241.091746	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"230499"	222.10124	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1522212"	255.14379	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"418258"	225.055188	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"780342"	322.094688	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1677766"	128.015688	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"262101"	452.173768	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1230438"	258.094768	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1719324"	258.118293	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1185771"	87.682218	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1655664"	263.073688	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"160340"	465.07704	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"598926"	659.15604	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1086960"	270.99804	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"147786"	233.042158	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"589535"	330.081658	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1076233"	136.002658	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1105072"	273.012592	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1342547"	273.100207	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1011079"	277.139376	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1531390"	278.133008	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"993460"	139.073326	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1595622"	279.047628	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1420188"	309.079138	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1153760"	159.586601	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1703309"	326.105685	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1643337"	331.06108	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1584454"	347.03502	"C05163"	"O-Methyl-scyllo-inositol;1-O-Methyl-scyllo-inositol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"804977"	904.1629	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M"	0
"981790"	885.14451	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-H2O-H"	-19.01839
"63469"	601.767990666667	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M-3H"	-3.021828
"503393"	903.155624	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M-3H"	-3.021828
"883021"	300.380357333333	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-3H"	-3.021828
"9258"	903.155624	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M-2H"	-2.014552
"451005"	1355.237074	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M-2H"	-2.014552
"823340"	451.074174	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-2H"	-2.014552
"87703"	1807.318524	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M-H"	-1.007276
"519612"	2711.481424	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M-H"	-1.007276
"900693"	903.155624	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-H"	-1.007276
"48509"	1824.345071	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M-2H+NH4"	16.019271
"491348"	2728.507971	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M-2H+NH4"	16.019271
"877538"	920.182171	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-2H+NH4"	16.019271
"44346"	1829.300466	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M-2H+Na"	20.974666
"486093"	2733.463366	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M-2H+Na"	20.974666
"864104"	925.137566	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-2H+Na"	20.974666
"1634004"	925.137566	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Na-2H"	20.974666
"108986"	921.143963	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M-H+Cl"	33.962126
"549641"	1373.225413	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M-H+Cl"	33.962126
"941824"	469.062513	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-H+Cl"	33.962126
"282202"	1843.295202	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+Cl"	34.969402
"674379"	2747.458102	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+Cl"	34.969402
"1284601"	939.132302	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Cl"	34.969402
"26069"	1845.274406	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M-2H+K"	36.948606
"467814"	2749.437306	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M-2H+K"	36.948606
"843427"	941.111506	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-2H+K"	36.948606
"1567645"	941.111506	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+K-2H"	36.948606
"952615"	949.161094	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-H+HCOOH"	44.998194
"372290"	1853.324001	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+HCOOH-H"	44.998201
"357991"	1867.339651	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+Hac-H"	59.013851
"1504637"	963.176751	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Hac-H"	59.013851
"967805"	971.143051	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-H+NaCOOH"	66.980151
"119995"	939.132302	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+2Cl"	69.938804
"562471"	1391.213752	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+2Cl"	69.938804
"1031638"	487.050852	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2Cl"	69.938804
"1253766"	983.081785	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Br"	78.918885
"1316951"	985.137772	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Cl+HCOOH"	80.974872
"1330073"	1007.119729	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Cl+NaCOOH"	102.956829
"924052"	1017.148486	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M-H+CF3COOH"	112.985586
"1301128"	1053.125164	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Cl+CF3COOH"	148.962264
"1381111"	869.150224	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H-2H2O"	-35.012676
"1392410"	887.1602	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H-H2O"	-17.0027
"286629"	1809.333076	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+H"	1.007276
"685610"	2713.495976	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+H"	1.007276
"1359772"	905.170176	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H"	1.007276
"132662"	905.170176	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+2H"	2.014552
"575502"	1357.251626	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+2H"	2.014552
"1038834"	453.088726	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2H"	2.014552
"212203"	603.782542666667	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+3H"	3.021828
"652857"	905.170176	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+3H"	3.021828
"1167703"	302.394909333333	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+3H"	3.021828
"424776"	1826.359623	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+NH4"	18.033823
"795251"	2730.522523	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+NH4"	18.033823
"1685020"	922.196723	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+NH4"	18.033823
"341690"	913.6834495	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+H+NH4"	19.041099
"729002"	1365.7648995	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+H+NH4"	19.041099
"1486105"	461.6019995	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H+NH4"	19.041099
"402596"	1831.315018	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+Na"	22.989218
"760312"	2735.477918	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+Na"	22.989218
"1610596"	927.152118	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Na"	22.989218
"323913"	916.161147	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+H+Na"	23.996494
"716336"	1368.242597	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+H+Na"	23.996494
"1469061"	464.079697	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H+Na"	23.996494
"1064497"	309.722223333333	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2H+Na"	25.00377
"1266174"	937.196386	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+CH3OH+H"	33.033486
"384748"	1847.288958	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+K"	38.963158
"742098"	2751.451858	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+K"	38.963158
"1544516"	943.126058	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+K"	38.963158
"299867"	924.148117	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+H+K"	39.970434
"693020"	1376.229567	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+H+K"	39.970434
"1453402"	472.066667	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H+K"	39.970434
"239816"	1850.359626	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+ACN+H"	42.033826
"1215807"	946.196726	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+ACN+H"	42.033826
"1201883"	473.602001	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+ACN+2H"	43.041102
"200223"	1853.29696	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+2Na-H"	44.97116
"635408"	2757.45986	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+2Na-H"	44.97116
"1144383"	949.13406	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2Na-H"	44.97116
"180018"	927.152118	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+2Na"	45.978436
"626143"	1379.233568	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+2Na"	45.978436
"1121993"	475.070668	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2Na"	45.978436
"1405517"	317.049537333333	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H+2Na"	46.985712
"1440915"	951.175646	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H+HCOOH"	47.012746
"233892"	932.18514	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+3H2O+2H"	56.04448
"1521958"	965.22769	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+IsoProp+H"	61.06479
"418368"	935.139088	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+Na+K"	61.952376
"779361"	1387.220538	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+Na+K"	61.952376
"1677514"	483.057638	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Na+K"	61.952376
"264397"	1872.341568	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+ACN+Na"	64.015768
"1231643"	968.178668	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+ACN+Na"	64.015768
"1718342"	968.202193	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+NH4+HCOOH"	64.039293
"1184788"	324.376851333333	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+3Na"	68.967654
"1659054"	973.157588	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Na+HCOOH"	68.994688
"161543"	1885.24484	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+2K-H"	76.91904
"599036"	2789.40774	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+2K-H"	76.91904
"1088893"	981.08194	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2K-H"	76.91904
"150083"	943.126058	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"2M+2K"	77.926316
"589645"	1395.207508	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"3M+2K"	77.926316
"1078530"	491.044608	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2K"	77.926316
"1106273"	983.096492	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2K+H"	78.933592
"1340470"	983.184107	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+DMSO+H"	79.021207
"1012282"	987.223276	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2ACN+H"	83.060376
"1531501"	988.216908	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+IsoProp+Na+H"	84.054008
"993573"	494.115276	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+2ACN+2H"	84.067652
"1592452"	989.131528	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+K+HCOOH"	84.968628
"1423580"	1019.163038	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+H+CF3COOH"	115.000138
"1152777"	514.628551	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+3ACN+2H"	125.094202
"1701232"	1036.189585	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+NH4+CF3COOH"	132.026685
"1646727"	1041.14498	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+Na+CF3COOH"	136.98208
"1584564"	1057.11892	"C05165"	"2-Amino-5-oxocyclohex-1-enecarbonyl-CoA;2-Amino-5-oxocyclohex-1-enecarboxyl-CoA"	"C28H43N8O18P3S"	"904.1629"	"M+K+CF3COOH"	152.95602
"812743"	161.8985	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M"	0
"982995"	142.88011	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-H2O-H"	-19.01839
"67956"	106.925057333333	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M-3H"	-3.021828
"508610"	160.891224	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M-3H"	-3.021828
"883140"	52.9588906666667	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-3H"	-3.021828
"6090"	160.891224	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M-2H"	-2.014552
"450022"	241.840474	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M-2H"	-2.014552
"825635"	79.941974	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-2H"	-2.014552
"90976"	322.789724	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M-H"	-1.007276
"519722"	484.688224	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M-H"	-1.007276
"905181"	160.891224	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-H"	-1.007276
"50807"	339.816271	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M-2H+NH4"	16.019271
"500214"	501.714771	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M-2H+NH4"	16.019271
"877528"	177.917771	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-2H+NH4"	16.019271
"43728"	344.771666	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M-2H+Na"	20.974666
"485475"	506.670166	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M-2H+Na"	20.974666
"861457"	182.873166	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-2H+Na"	20.974666
"1631717"	182.873166	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Na-2H"	20.974666
"107156"	178.879563	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M-H+Cl"	33.962126
"546714"	259.828813	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M-H+Cl"	33.962126
"940233"	97.930313	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-H+Cl"	33.962126
"280973"	358.766402	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+Cl"	34.969402
"669029"	520.664902	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+Cl"	34.969402
"1282526"	196.867902	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Cl"	34.969402
"25814"	360.745606	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M-2H+K"	36.948606
"467562"	522.644106	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M-2H+K"	36.948606
"844270"	198.847106	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-2H+K"	36.948606
"1564842"	198.847106	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+K-2H"	36.948606
"952362"	206.896694	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-H+HCOOH"	44.998194
"373127"	368.795201	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+HCOOH-H"	44.998201
"355916"	382.810851	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+Hac-H"	59.013851
"1499282"	220.912351	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Hac-H"	59.013851
"964639"	228.878651	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-H+NaCOOH"	66.980151
"119012"	196.867902	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+2Cl"	69.938804
"559669"	277.817152	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+2Cl"	69.938804
"1030654"	115.918652	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2Cl"	69.938804
"1250238"	240.817385	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Br"	78.918885
"1317064"	242.873372	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Cl+HCOOH"	80.974872
"1333468"	264.855329	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Cl+NaCOOH"	102.956829
"925619"	274.884086	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M-H+CF3COOH"	112.985586
"1303789"	310.860764	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Cl+CF3COOH"	148.962264
"1381584"	126.885824	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H-2H2O"	-35.012676
"1395800"	144.8958	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H-H2O"	-17.0027
"293300"	324.804276	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+H"	1.007276
"690096"	486.702776	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+H"	1.007276
"1362069"	162.905776	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H"	1.007276
"133866"	162.905776	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+2H"	2.014552
"571238"	243.855026	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+2H"	2.014552
"1050610"	81.956526	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2H"	2.014552
"214500"	108.939609333333	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+3H"	3.021828
"654061"	162.905776	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+3H"	3.021828
"1168906"	54.9734426666667	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+3H"	3.021828
"435461"	341.830823	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+NH4"	18.033823
"795362"	503.729323	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+NH4"	18.033823
"1685132"	179.932323	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+NH4"	18.033823
"338878"	171.4190495	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+H+NH4"	19.041099
"729112"	252.3682995	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+H+NH4"	19.041099
"1484027"	90.4697995	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H+NH4"	19.041099
"401613"	346.786218	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+Na"	22.989218
"759328"	508.684718	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+Na"	22.989218
"1609612"	184.887718	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Na"	22.989218
"322930"	173.896747	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+H+Na"	23.996494
"719604"	254.845997	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+H+Na"	23.996494
"1466985"	92.947497	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H+Na"	23.996494
"1059501"	62.3007566666667	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2H+Na"	25.00377
"1265189"	194.931986	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+CH3OH+H"	33.033486
"381213"	362.760158	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+K"	38.963158
"742208"	524.658658	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+K"	38.963158
"1542074"	200.861658	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+K"	38.963158
"299612"	181.883717	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+H+K"	39.970434
"696411"	262.832967	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+H+K"	39.970434
"1450232"	100.934467	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H+K"	39.970434
"237742"	365.830826	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+ACN+H"	42.033826
"1217017"	203.932326	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+ACN+H"	42.033826
"1204182"	102.469801	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+ACN+2H"	43.041102
"200700"	368.76816	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+2Na-H"	44.97116
"642450"	530.66666	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+2Na-H"	44.97116
"1144861"	206.86966	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2Na-H"	44.97116
"184508"	184.887718	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+2Na"	45.978436
"624068"	265.836968	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+2Na"	45.978436
"1128666"	103.938468	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2Na"	45.978436
"1411100"	69.6280706666667	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H+2Na"	46.985712
"1442121"	208.911246	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H+HCOOH"	47.012746
"232912"	189.92074	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+3H2O+2H"	56.04448
"1520610"	222.96329	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+IsoProp+H"	61.06479
"421390"	192.874688	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+Na+K"	61.952376
"782386"	273.823938	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+Na+K"	61.952376
"1674708"	111.925438	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Na+K"	61.952376
"261960"	387.812768	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+ACN+Na"	64.015768
"1233939"	225.914268	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+ACN+Na"	64.015768
"1719543"	225.937793	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+NH4+HCOOH"	64.039293
"1185993"	76.9553846666667	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+3Na"	68.967654
"1650019"	230.893188	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Na+HCOOH"	68.994688
"158249"	400.71604	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+2K-H"	76.91904
"602305"	562.61454	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+2K-H"	76.91904
"1088276"	238.81754	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2K-H"	76.91904
"145456"	200.861658	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"2M+2K"	77.926316
"587567"	281.810908	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"3M+2K"	77.926316
"1073174"	119.912408	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2K"	77.926316
"1106383"	240.832092	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2K+H"	78.933592
"1336571"	240.919707	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+DMSO+H"	79.021207
"1012392"	244.958876	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2ACN+H"	83.060376
"1531611"	245.952508	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+IsoProp+Na+H"	84.054008
"998062"	122.983076	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+2ACN+2H"	84.067652
"1593658"	246.867128	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+K+HCOOH"	84.968628
"1423694"	276.898638	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+H+CF3COOH"	115.000138
"1155074"	143.496351	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+3ACN+2H"	125.094202
"1705721"	293.925185	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+NH4+CF3COOH"	132.026685
"1646838"	298.88058	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+Na+CF3COOH"	136.98208
"1584675"	314.85452	"C05172"	"Selenophosphoric acid;Selenophosphate"	"H3PO3Se"	"161.8985"	"M+K+CF3COOH"	152.95602
"812853"	325.1314	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M"	0
"985291"	306.11301	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-H2O-H"	-19.01839
"68066"	215.746990666667	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M-3H"	-3.021828
"508720"	324.124124	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M-3H"	-3.021828
"885437"	107.369857333333	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-3H"	-3.021828
"7292"	324.124124	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M-2H"	-2.014552
"451225"	486.689824	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M-2H"	-2.014552
"826839"	161.558424	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-2H"	-2.014552
"89022"	649.255524	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M-H"	-1.007276
"525300"	974.386924	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M-H"	-1.007276
"903103"	324.124124	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-H"	-1.007276
"57479"	666.282071	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M-2H+NH4"	16.019271
"497040"	991.413471	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M-2H+NH4"	16.019271
"873749"	341.150671	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-2H+NH4"	16.019271
"44566"	671.237466	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M-2H+Na"	20.974666
"482305"	996.368866	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M-2H+Na"	20.974666
"860837"	346.106066	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-2H+Na"	20.974666
"1629641"	346.106066	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Na-2H"	20.974666
"107266"	342.112463	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M-H+Cl"	33.962126
"545731"	504.678163	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M-H+Cl"	33.962126
"939615"	179.546763	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-H+Cl"	33.962126
"279626"	685.232202	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+Cl"	34.969402
"669140"	1010.363602	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+Cl"	34.969402
"1280451"	360.100802	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Cl"	34.969402
"26288"	687.211406	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M-2H+K"	36.948606
"463665"	1012.342806	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M-2H+K"	36.948606
"844381"	362.080006	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-2H+K"	36.948606
"1564952"	362.080006	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+K-2H"	36.948606
"955389"	370.129594	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-H+HCOOH"	44.998194
"372874"	695.261001	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+HCOOH-H"	44.998201
"353843"	709.276651	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+Hac-H"	59.013851
"1502673"	384.145251	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Hac-H"	59.013851
"963656"	392.111551	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-H+NaCOOH"	66.980151
"118030"	360.100802	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+2Cl"	69.938804
"558685"	522.666502	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+2Cl"	69.938804
"1028577"	197.535102	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2Cl"	69.938804
"1250348"	404.050285	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Br"	78.918885
"1316810"	406.106272	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Cl+HCOOH"	80.974872
"1334431"	428.088229	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Cl+NaCOOH"	102.956829
"925732"	438.116986	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M-H+CF3COOH"	112.985586
"1302440"	474.093664	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Cl+CF3COOH"	148.962264
"1379508"	290.118724	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H-2H2O"	-35.012676
"1394818"	308.1287	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H-H2O"	-17.0027
"289037"	651.270076	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+H"	1.007276
"688747"	976.401476	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+H"	1.007276
"1358899"	326.138676	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H"	1.007276
"136163"	326.138676	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+2H"	2.014552
"577909"	488.704376	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+2H"	2.014552
"1046710"	163.572976	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2H"	2.014552
"211330"	217.761542666667	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+3H"	3.021828
"650891"	326.138676	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+3H"	3.021828
"1170110"	109.384409333333	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+3H"	3.021828
"434478"	668.296623	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+NH4"	18.033823
"794379"	993.428023	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+NH4"	18.033823
"1686339"	343.165223	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+NH4"	18.033823
"337897"	334.6519495	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+H+NH4"	19.041099
"731409"	497.2176495	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+H+NH4"	19.041099
"1483047"	172.0862495	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H+NH4"	19.041099
"400631"	673.252018	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+Na"	22.989218
"759438"	998.383418	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+Na"	22.989218
"1610815"	348.120618	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Na"	22.989218
"327413"	337.129647	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+H+Na"	23.996494
"717650"	499.695347	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+H+Na"	23.996494
"1470375"	174.563947	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H+Na"	23.996494
"1059247"	116.711723333333	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2H+Na"	25.00377
"1263113"	358.164886	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+CH3OH+H"	33.033486
"381689"	689.225958	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+K"	38.963158
"739157"	1014.357358	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+K"	38.963158
"1541818"	364.094558	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+K"	38.963158
"299032"	345.116617	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+H+K"	39.970434
"692269"	507.682317	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+H+K"	39.970434
"1447062"	182.550917	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H+K"	39.970434
"237123"	692.296626	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+ACN+H"	42.033826
"1214941"	367.165226	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+ACN+H"	42.033826
"1203928"	184.086251	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+ACN+2H"	43.041102
"200810"	695.23396	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+2Na-H"	44.97116
"639645"	1020.36536	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+2Na-H"	44.97116
"1140234"	370.10256	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2Na-H"	44.97116
"178420"	348.120618	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+2Na"	45.978436
"619805"	510.686318	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+2Na"	45.978436
"1124403"	185.554918	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2Na"	45.978436
"1411210"	124.039037333333	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H+2Na"	46.985712
"1436763"	372.144146	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H+HCOOH"	47.012746
"232660"	353.15364	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+3H2O+2H"	56.04448
"1519991"	386.19619	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+IsoProp+H"	61.06479
"421865"	356.107588	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+Na+K"	61.952376
"782863"	518.673288	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+Na+K"	61.952376
"1678828"	193.541888	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Na+K"	61.952376
"263528"	714.278568	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+ACN+Na"	64.015768
"1232956"	389.147168	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+ACN+Na"	64.015768
"1720747"	389.170693	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+NH4+HCOOH"	64.039293
"1183916"	131.366351333333	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+3Na"	68.967654
"1652714"	394.126088	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Na+HCOOH"	68.994688
"158967"	727.18184	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+2K-H"	76.91904
"604603"	1052.31324	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+2K-H"	76.91904
"1092395"	402.05044	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2K-H"	76.91904
"144838"	364.094558	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"2M+2K"	77.926316
"587678"	526.660258	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"3M+2K"	77.926316
"1071462"	201.528858	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2K"	77.926316
"1109772"	404.064992	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2K+H"	78.933592
"1339597"	404.152607	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+DMSO+H"	79.021207
"1011410"	408.191776	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2ACN+H"	83.060376
"1532814"	409.185408	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+IsoProp+Na+H"	84.054008
"1000358"	204.599526	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+2ACN+2H"	84.067652
"1597048"	410.100028	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+K+HCOOH"	84.968628
"1424898"	440.131538	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+H+CF3COOH"	115.000138
"1155184"	225.112801	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+3ACN+2H"	125.094202
"1711298"	457.158085	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+NH4+CF3COOH"	132.026685
"1649135"	462.11348	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+Na+CF3COOH"	136.98208
"1584785"	478.08742	"C05174"	"(S)-Cheilanthifoline;(6aS)-66a1114-Tetrahydro-8-methoxy-12H-benzoa-13-benzodioxolo45-gquinolizim-9-ol"	"C19H19NO4"	"325.1314"	"M+K+CF3COOH"	152.95602
"816609"	323.1158	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M"	0
"985401"	304.09741	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-H2O-H"	-19.01839
"68176"	214.403257333333	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M-3H"	-3.021828
"511018"	322.108524	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M-3H"	-3.021828
"894296"	106.697990666667	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-3H"	-3.021828
"11778"	322.108524	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M-2H"	-2.014552
"453523"	483.666424	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M-2H"	-2.014552
"829137"	160.550624	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-2H"	-2.014552
"90227"	645.224324	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M-H"	-1.007276
"530879"	968.340124	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M-H"	-1.007276
"908681"	322.108524	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-H"	-1.007276
"61236"	662.250871	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M-2H+NH4"	16.019271
"501040"	985.366671	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M-2H+NH4"	16.019271
"877140"	339.135071	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-2H+NH4"	16.019271
"43948"	667.206266	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M-2H+Na"	20.974666
"484601"	990.322066	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M-2H+Na"	20.974666
"861313"	344.090466	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-2H+Na"	20.974666
"1632670"	344.090466	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Na-2H"	20.974666
"106282"	340.096863	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M-H+Cl"	33.962126
"544389"	501.654763	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M-H+Cl"	33.962126
"937903"	178.538963	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-H+Cl"	33.962126
"277189"	681.201002	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+Cl"	34.969402
"668886"	1004.316802	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+Cl"	34.969402
"1282748"	358.085202	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Cl"	34.969402
"28222"	683.180206	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M-2H+K"	36.948606
"467783"	1006.296006	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M-2H+K"	36.948606
"844854"	360.064406	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-2H+K"	36.948606
"1563970"	360.064406	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+K-2H"	36.948606
"952947"	368.113994	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-H+HCOOH"	44.998194
"370072"	691.229801	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+HCOOH-H"	44.998201
"353591"	705.245451	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+Hac-H"	59.013851
"1500599"	382.129651	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Hac-H"	59.013851
"964861"	390.095951	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-H+NaCOOH"	66.980151
"119234"	358.085202	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+2Cl"	69.938804
"557702"	519.643102	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+2Cl"	69.938804
"1029783"	196.527302	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2Cl"	69.938804
"1250455"	402.034685	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Br"	78.918885
"1316917"	404.090672	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Cl+HCOOH"	80.974872
"1333319"	426.072629	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Cl+NaCOOH"	102.956829
"926571"	436.101386	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M-H+CF3COOH"	112.985586
"1302917"	472.078064	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Cl+CF3COOH"	148.962264
"1380712"	288.103124	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H-2H2O"	-35.012676
"1396993"	306.1131	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H-H2O"	-17.0027
"296801"	647.238876	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+H"	1.007276
"687035"	970.354676	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+H"	1.007276
"1365571"	324.123076	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H"	1.007276
"137367"	324.123076	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+2H"	2.014552
"578022"	485.680976	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+2H"	2.014552
"1047913"	162.565176	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2H"	2.014552
"212533"	216.417809333333	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+3H"	3.021828
"655377"	324.123076	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+3H"	3.021828
"1171314"	108.712542666667	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+3H"	3.021828
"438966"	664.265423	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+NH4"	18.033823
"797771"	987.381223	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+NH4"	18.033823
"1690823"	341.149623	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+NH4"	18.033823
"336916"	332.6363495	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+H+NH4"	19.041099
"731524"	494.1942495	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+H+NH4"	19.041099
"1485344"	171.0784495	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H+NH4"	19.041099
"401836"	669.220818	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+Na"	22.989218
"765017"	992.336618	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+Na"	22.989218
"1616394"	346.105018	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Na"	22.989218
"328618"	335.114047	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+H+Na"	23.996494
"718853"	496.671947	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+H+Na"	23.996494
"1471580"	173.556147	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H+Na"	23.996494
"1063732"	116.039856666667	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2H+Na"	25.00377
"1268691"	356.149286	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+CH3OH+H"	33.033486
"382893"	685.194758	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+K"	38.963158
"740605"	1008.310558	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+K"	38.963158
"1541566"	362.078958	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+K"	38.963158
"306395"	343.101017	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+H+K"	39.970434
"693351"	504.658917	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+H+K"	39.970434
"1446687"	181.543117	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H+K"	39.970434
"237354"	688.265426	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+ACN+H"	42.033826
"1221612"	365.149626	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+ACN+H"	42.033826
"1205496"	183.078451	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+ACN+2H"	43.041102
"193263"	691.20276	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+2Na-H"	44.97116
"639023"	1014.31856	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+2Na-H"	44.97116
"1143260"	368.08696	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2Na-H"	44.97116
"178529"	346.105018	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+2Na"	45.978436
"623196"	507.662918	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+2Na"	45.978436
"1123420"	184.547118	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2Na"	45.978436
"1411323"	123.367170666667	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H+2Na"	46.985712
"1445346"	370.128546	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H+HCOOH"	47.012746
"235443"	351.13804	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+3H2O+2H"	56.04448
"1523586"	384.18059	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+IsoProp+H"	61.06479
"422344"	354.091988	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+Na+K"	61.952376
"783343"	515.649888	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+Na+K"	61.952376
"1678214"	192.534088	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Na+K"	61.952376
"263642"	710.247368	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+ACN+Na"	64.015768
"1239263"	387.131568	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+ACN+Na"	64.015768
"1728027"	387.155093	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+NH4+HCOOH"	64.039293
"1188399"	130.694484666667	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+3Na"	68.967654
"1658292"	392.110488	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Na+HCOOH"	68.994688
"164061"	723.15064	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+2K-H"	76.91904
"607994"	1046.26644	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+2K-H"	76.91904
"1093599"	400.03484	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2K-H"	76.91904
"150415"	362.078958	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"2M+2K"	77.926316
"595201"	523.636858	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"3M+2K"	77.926316
"1079957"	200.521058	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2K"	77.926316
"1114016"	402.049392	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2K+H"	78.933592
"1342989"	402.137007	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+DMSO+H"	79.021207
"1014804"	406.176176	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2ACN+H"	83.060376
"1535114"	407.169808	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+IsoProp+Na+H"	84.054008
"1000471"	203.591726	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+2ACN+2H"	84.067652
"1597160"	408.084428	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+K+HCOOH"	84.968628
"1425009"	438.115938	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+H+CF3COOH"	115.000138
"1155294"	224.105001	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+3ACN+2H"	125.094202
"1711408"	455.142485	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+NH4+CF3COOH"	132.026685
"1649246"	460.09788	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+Na+CF3COOH"	136.98208
"1584895"	476.07182	"C05175"	"Stylopine;(S)-Stylopine;l-Tetrahydrocoptisine;6712b13e-Tetrahydro-4H-bis13benzodioxolo56-a:45-gquinolizine"	"C19H17NO4"	"323.1158"	"M+K+CF3COOH"	152.95602
"813073"	299.1521	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M"	0
"982231"	280.13371	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H2O-H"	-19.01839
"62989"	198.427457333333	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-3H"	-3.021828
"505660"	298.144824	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-3H"	-3.021828
"890031"	98.7100906666667	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-3H"	-3.021828
"7512"	298.144824	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H"	-2.014552
"451081"	447.720874	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H"	-2.014552
"831068"	148.568774	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H"	-2.014552
"87055"	597.296924	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-H"	-1.007276
"528800"	896.449024	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-H"	-1.007276
"906603"	298.144824	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H"	-1.007276
"52230"	614.323471	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H+NH4"	16.019271
"496167"	913.475571	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H+NH4"	16.019271
"876522"	315.171371	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H+NH4"	16.019271
"45153"	619.278866	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H+Na"	20.974666
"484347"	918.430966	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H+Na"	20.974666
"861424"	320.126766	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H+Na"	20.974666
"1632415"	320.126766	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na-2H"	20.974666
"107484"	316.133163	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-H+Cl"	33.962126
"548509"	465.709213	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-H+Cl"	33.962126
"940199"	166.557113	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+Cl"	33.962126
"279849"	633.273602	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Cl"	34.969402
"674461"	932.425702	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+Cl"	34.969402
"1287354"	334.121502	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl"	34.969402
"29061"	635.252806	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H+K"	36.948606
"468986"	934.404906	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H+K"	36.948606
"847515"	336.100706	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H+K"	36.948606
"1566266"	336.100706	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K-2H"	36.948606
"955609"	344.150294	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+HCOOH"	44.998194
"373096"	643.302401	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+HCOOH-H"	44.998201
"355887"	657.318051	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Hac-H"	59.013851
"1501802"	358.165951	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Hac-H"	59.013851
"963511"	366.132251	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+NaCOOH"	66.980151
"118251"	334.121502	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2Cl"	69.938804
"557812"	483.697552	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2Cl"	69.938804
"1029891"	184.545452	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2Cl"	69.938804
"1250564"	378.070985	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Br"	78.918885
"1310827"	380.126972	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl+HCOOH"	80.974872
"1332699"	402.108929	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl+NaCOOH"	102.956829
"926436"	412.137686	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+CF3COOH"	112.985586
"1303026"	448.114364	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl+CF3COOH"	148.962264
"1382039"	264.139424	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H-2H2O"	-35.012676
"1397833"	282.1494	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H-H2O"	-17.0027
"297887"	599.311476	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H"	1.007276
"690425"	898.463576	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H"	1.007276
"1365681"	300.159376	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H"	1.007276
"138571"	300.159376	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2H"	2.014552
"581319"	449.735426	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2H"	2.014552
"1050209"	150.583326	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2H"	2.014552
"217018"	200.442009333333	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+3H"	3.021828
"656580"	300.159376	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+3H"	3.021828
"1173611"	100.724642666667	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+3H"	3.021828
"439079"	616.338023	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+NH4"	18.033823
"799948"	915.490123	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+NH4"	18.033823
"1690936"	317.185923	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+NH4"	18.033823
"338849"	308.6726495	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H+NH4"	19.041099
"733457"	458.2486995	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H+NH4"	19.041099
"1487641"	159.0965995	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+NH4"	19.041099
"403039"	621.293418	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Na"	22.989218
"766220"	920.445518	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+Na"	22.989218
"1615411"	322.141318	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na"	22.989218
"325448"	311.150347	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H+Na"	23.996494
"718962"	460.726397	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H+Na"	23.996494
"1471690"	161.574297	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+Na"	23.996494
"1063842"	108.051956666667	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2H+Na"	25.00377
"1266614"	332.185586	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+CH3OH+H"	33.033486
"381908"	637.267358	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+K"	38.963158
"743995"	936.419458	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+K"	38.963158
"1544955"	338.115258	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K"	38.963158
"305412"	319.137317	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H+K"	39.970434
"696741"	468.713367	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H+K"	39.970434
"1446312"	169.561267	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+K"	39.970434
"236248"	640.338026	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+ACN+H"	42.033826
"1215158"	341.185926	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+ACN+H"	42.033826
"1201596"	171.096601	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+ACN+2H"	43.041102
"193373"	643.27536	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2Na-H"	44.97116
"639132"	942.42746	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2Na-H"	44.97116
"1143734"	344.12326	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2Na-H"	44.97116
"182648"	322.141318	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2Na"	45.978436
"621120"	471.717368	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2Na"	45.978436
"1125716"	172.565268	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2Na"	45.978436
"1410336"	115.379270666667	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+2Na"	46.985712
"1435889"	346.164846	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+HCOOH"	47.012746
"234702"	327.17434	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+3H2O+2H"	56.04448
"1523371"	360.21689	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+IsoProp+H"	61.06479
"420994"	330.128288	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Na+K"	61.952376
"783813"	479.704338	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+Na+K"	61.952376
"1677595"	180.552238	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na+K"	61.952376
"265570"	662.319968	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+ACN+Na"	64.015768
"1240103"	363.167868	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+ACN+Na"	64.015768
"1727935"	363.191393	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+NH4+HCOOH"	64.039293
"1188509"	122.706584666667	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+3Na"	68.967654
"1658402"	368.146788	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na+HCOOH"	68.994688
"164171"	675.22324	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2K-H"	76.91904
"605917"	974.37534	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2K-H"	76.91904
"1098082"	376.07114	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2K-H"	76.91904
"148338"	338.115258	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2K"	77.926316
"587899"	487.691308	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2K"	77.926316
"1077880"	188.539208	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2K"	77.926316
"1113274"	378.085692	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2K+H"	78.933592
"1340911"	378.173307	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+DMSO+H"	79.021207
"1011632"	382.212476	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2ACN+H"	83.060376
"1531942"	383.206108	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+IsoProp+Na+H"	84.054008
"998395"	191.609876	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2ACN+2H"	84.067652
"1596177"	384.120728	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K+HCOOH"	84.968628
"1425118"	414.152238	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+CF3COOH"	115.000138
"1155404"	212.123151	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+3ACN+2H"	125.094202
"1710425"	431.178785	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+NH4+CF3COOH"	132.026685
"1647168"	436.13418	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na+CF3COOH"	136.98208
"1585005"	452.10812	"C05176"	"(S)-N-Methylcoclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K+CF3COOH"	152.95602
"814276"	596.2886	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M"	0
"982341"	577.27021	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-H2O-H"	-19.01839
"63656"	396.518457333333	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M-3H"	-3.021828
"505770"	595.281324	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M-3H"	-3.021828
"889048"	197.755590666667	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-3H"	-3.021828
"6529"	595.281324	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M-2H"	-2.014552
"448275"	893.425624	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M-2H"	-2.014552
"830449"	297.137024	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-2H"	-2.014552
"86072"	1191.569924	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M-H"	-1.007276
"528910"	1787.858524	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M-H"	-1.007276
"905620"	595.281324	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-H"	-1.007276
"52340"	1208.596471	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M-2H+NH4"	16.019271
"496277"	1804.885071	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M-2H+NH4"	16.019271
"876632"	612.307871	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-2H+NH4"	16.019271
"44170"	1213.551866	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M-2H+Na"	20.974666
"484457"	1809.840466	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M-2H+Na"	20.974666
"859348"	617.263266	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-2H+Na"	20.974666
"1629973"	617.263266	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Na-2H"	20.974666
"107959"	613.269663	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M-H+Cl"	33.962126
"542777"	911.413963	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M-H+Cl"	33.962126
"941764"	315.125363	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-H+Cl"	33.962126
"279230"	1227.546602	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+Cl"	34.969402
"674572"	1823.835202	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+Cl"	34.969402
"1286247"	631.258002	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Cl"	34.969402
"30386"	1229.525806	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M-2H+K"	36.948606
"469459"	1825.814406	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M-2H+K"	36.948606
"848072"	633.237206	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-2H+K"	36.948606
"1567469"	633.237206	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+K-2H"	36.948606
"954989"	641.286794	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-H+HCOOH"	44.998194
"373935"	1237.575401	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+HCOOH-H"	44.998201
"355996"	1251.591051	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+Hac-H"	59.013851
"1502277"	655.302451	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Hac-H"	59.013851
"966173"	663.268751	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-H+NaCOOH"	66.980151
"116175"	631.258002	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+2Cl"	69.938804
"555735"	929.402302	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+2Cl"	69.938804
"1025629"	333.113702	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2Cl"	69.938804
"1248486"	675.207485	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Br"	78.918885
"1305833"	677.263472	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Cl+HCOOH"	80.974872
"1331352"	699.245429	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Cl+NaCOOH"	102.956829
"920590"	709.274186	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M-H+CF3COOH"	112.985586
"1297296"	745.250864	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Cl+CF3COOH"	148.962264
"1382149"	561.275924	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H-2H2O"	-35.012676
"1396970"	579.2859	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H-H2O"	-17.0027
"297508"	1193.584476	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+H"	1.007276
"690294"	1789.873076	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+H"	1.007276
"1365670"	597.295876	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H"	1.007276
"140505"	597.295876	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+2H"	2.014552
"580793"	895.440176	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+2H"	2.014552
"1050319"	299.151576	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2H"	2.014552
"218221"	398.533009333333	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+3H"	3.021828
"656690"	597.295876	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+3H"	3.021828
"1173721"	199.770142666667	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+3H"	3.021828
"439552"	1210.611023	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+NH4"	18.033823
"799087"	1806.899623	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+NH4"	18.033823
"1691046"	614.322423	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+NH4"	18.033823
"337136"	605.8091495	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+H+NH4"	19.041099
"732837"	903.9534495	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+H+NH4"	19.041099
"1485564"	307.6648495	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H+NH4"	19.041099
"399869"	1215.566418	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+Na"	22.989218
"763051"	1811.855018	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+Na"	22.989218
"1617465"	619.277818	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Na"	22.989218
"325558"	608.286847	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+H+Na"	23.996494
"717978"	906.431147	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+H+Na"	23.996494
"1469612"	310.142547	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H+Na"	23.996494
"1060671"	207.097456666667	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2H+Na"	25.00377
"1266724"	629.322086	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+CH3OH+H"	33.033486
"388581"	1231.540358	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+K"	38.963158
"745198"	1827.828958	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+K"	38.963158
"1545065"	635.251758	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+K"	38.963158
"307709"	616.273817	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+H+K"	39.970434
"694663"	914.418117	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+H+K"	39.970434
"1446097"	318.129517	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H+K"	39.970434
"236034"	1234.611026	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+ACN+H"	42.033826
"1214175"	638.322426	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+ACN+H"	42.033826
"1199883"	319.664851	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+ACN+2H"	43.041102
"193483"	1237.54836	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+2Na-H"	44.97116
"638149"	1833.83696	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+2Na-H"	44.97116
"1143480"	641.25976	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2Na-H"	44.97116
"178018"	619.277818	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+2Na"	45.978436
"623417"	917.422118	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+2Na"	45.978436
"1127649"	321.133518	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2Na"	45.978436
"1411539"	214.424770666667	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H+2Na"	46.985712
"1437092"	643.301346	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H+HCOOH"	47.012746
"233354"	624.31084	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+3H2O+2H"	56.04448
"1518136"	657.35339	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+IsoProp+H"	61.06479
"421103"	627.264788	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+Na+K"	61.952376
"783557"	925.409088	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+Na+K"	61.952376
"1679887"	329.120488	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Na+K"	61.952376
"263858"	1256.592968	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+ACN+Na"	64.015768
"1240575"	660.304368	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+ACN+Na"	64.015768
"1728002"	660.327893	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+NH4+HCOOH"	64.039293
"1190803"	221.752084666667	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+3Na"	68.967654
"1658512"	665.283288	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Na+HCOOH"	68.994688
"164281"	1269.49624	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+2K-H"	76.91904
"603840"	1865.78484	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+2K-H"	76.91904
"1097099"	673.20764	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2K-H"	76.91904
"145532"	635.251758	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"2M+2K"	77.926316
"585822"	933.396058	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"3M+2K"	77.926316
"1074710"	337.107458	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2K"	77.926316
"1109010"	675.222192	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2K+H"	78.933592
"1342114"	675.309807	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+DMSO+H"	79.021207
"1016116"	679.348976	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2ACN+H"	83.060376
"1533145"	680.342608	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+IsoProp+Na+H"	84.054008
"998505"	340.178126	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+2ACN+2H"	84.067652
"1597380"	681.257228	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+K+HCOOH"	84.968628
"1425228"	711.288738	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+H+CF3COOH"	115.000138
"1155514"	360.691401	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+3ACN+2H"	125.094202
"1711628"	728.315285	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+NH4+CF3COOH"	132.026685
"1647278"	733.27068	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+Na+CF3COOH"	136.98208
"1585115"	749.24462	"C05177"	"Berbamunine;(1S)-1234-Tetrahydro-1-4-2-hydroxy-5-(1R)-1234-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol"	"C36H40N2O6"	"596.2886"	"M+K+CF3COOH"	152.95602
"816091"	329.1627	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M"	0
"982452"	310.14431	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-H2O-H"	-19.01839
"69600"	218.434524	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M-3H"	-3.021828
"505880"	328.155424	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M-3H"	-3.021828
"889158"	108.713624	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-3H"	-3.021828
"5547"	328.155424	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M-2H"	-2.014552
"448387"	492.736774	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M-2H"	-2.014552
"827281"	163.574074	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-2H"	-2.014552
"88369"	657.318124	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M-H"	-1.007276
"527930"	986.480824	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M-H"	-1.007276
"899171"	328.155424	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-H"	-1.007276
"55732"	674.344671	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M-2H+NH4"	16.019271
"493108"	1003.507371	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M-2H+NH4"	16.019271
"874194"	345.181971	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-2H+NH4"	16.019271
"38812"	679.300066	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M-2H+Na"	20.974666
"481652"	1008.462766	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M-2H+Na"	20.974666
"857266"	350.137366	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-2H+Na"	20.974666
"1630081"	350.137366	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Na-2H"	20.974666
"106245"	346.143763	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M-H+Cl"	33.962126
"545078"	510.725113	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M-H+Cl"	33.962126
"939691"	181.562413	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-H+Cl"	33.962126
"277151"	693.294802	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+Cl"	34.969402
"669578"	1022.457502	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+Cl"	34.969402
"1279064"	364.132102	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Cl"	34.969402
"30980"	695.274006	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M-2H+K"	36.948606
"470785"	1024.436706	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M-2H+K"	36.948606
"848061"	366.111306	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-2H+K"	36.948606
"1567581"	366.111306	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+K-2H"	36.948606
"956193"	374.160894	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-H+HCOOH"	44.998194
"374410"	703.323601	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+HCOOH-H"	44.998201
"354285"	717.339251	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+Hac-H"	59.013851
"1504573"	388.176551	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Hac-H"	59.013851
"966285"	396.142851	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-H+NaCOOH"	66.980151
"117380"	364.132102	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+2Cl"	69.938804
"554022"	528.713452	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+2Cl"	69.938804
"1025739"	199.550752	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2Cl"	69.938804
"1250783"	408.081585	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Br"	78.918885
"1311046"	410.137572	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Cl+HCOOH"	80.974872
"1324171"	432.119529	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Cl+NaCOOH"	102.956829
"918514"	442.148286	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M-H+CF3COOH"	112.985586
"1297406"	478.124964	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Cl+CF3COOH"	148.962264
"1381041"	294.150024	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H-2H2O"	-35.012676
"1395254"	312.16	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H-H2O"	-17.0027
"294943"	659.332676	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+H"	1.007276
"689550"	988.495376	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+H"	1.007276
"1364807"	330.169976	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H"	1.007276
"140735"	330.169976	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+2H"	2.014552
"580907"	494.751326	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+2H"	2.014552
"1049336"	165.588626	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2H"	2.014552
"217726"	220.449076	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+3H"	3.021828
"654613"	330.169976	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+3H"	3.021828
"1176018"	110.728176	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+3H"	3.021828
"439418"	676.359223	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+NH4"	18.033823
"799805"	1005.521923	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+NH4"	18.033823
"1693343"	347.196523	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+NH4"	18.033823
"342351"	338.6832495	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+H+NH4"	19.041099
"731853"	503.2645995	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+H+NH4"	19.041099
"1487861"	174.1018995	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H+NH4"	19.041099
"401072"	681.314618	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+Na"	22.989218
"766440"	1010.477318	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+Na"	22.989218
"1612352"	352.151918	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Na"	22.989218
"325668"	341.160947	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+H+Na"	23.996494
"719182"	505.742297	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+H+Na"	23.996494
"1467537"	176.579597	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H+Na"	23.996494
"1060782"	118.05549	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2H+Na"	25.00377
"1259181"	362.196186	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+CH3OH+H"	33.033486
"383224"	697.288558	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+K"	38.963158
"742395"	1026.451258	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+K"	38.963158
"1545179"	368.125858	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+K"	38.963158
"303446"	349.147917	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+H+K"	39.970434
"694773"	513.729267	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+H+K"	39.970434
"1449693"	184.566567	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H+K"	39.970434
"239387"	700.359226	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+ACN+H"	42.033826
"1216477"	371.196526	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+ACN+H"	42.033826
"1197442"	186.101901	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+ACN+2H"	43.041102
"197605"	703.29656	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+2Na-H"	44.97116
"639354"	1032.45926	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+2Na-H"	44.97116
"1140675"	374.13386	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2Na-H"	44.97116
"184329"	352.151918	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+2Na"	45.978436
"623527"	516.733268	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+2Na"	45.978436
"1127034"	187.570568	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2Na"	45.978436
"1409463"	125.382804	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H+2Na"	46.985712
"1441575"	376.175446	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H+HCOOH"	47.012746
"232372"	357.18494	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+3H2O+2H"	56.04448
"1521527"	390.22749	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+IsoProp+H"	61.06479
"419027"	360.138888	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+Na+K"	61.952376
"782210"	524.720238	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+Na+K"	61.952376
"1678542"	195.557538	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Na+K"	61.952376
"265064"	722.341168	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+ACN+Na"	64.015768
"1239228"	393.178468	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+ACN+Na"	64.015768
"1725563"	393.201993	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+NH4+HCOOH"	64.039293
"1189822"	132.710118	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+3Na"	68.967654
"1664453"	398.157388	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Na+HCOOH"	68.994688
"161475"	735.24444	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+2K-H"	76.91904
"603951"	1064.40714	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+2K-H"	76.91904
"1088828"	406.08174	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2K-H"	76.91904
"146375"	368.125858	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"2M+2K"	77.926316
"593588"	532.707208	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"3M+2K"	77.926316
"1078100"	203.544508	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2K"	77.926316
"1105842"	408.096292	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2K+H"	78.933592
"1340039"	408.183907	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+DMSO+H"	79.021207
"1006500"	412.223076	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2ACN+H"	83.060376
"1527791"	413.216708	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+IsoProp+Na+H"	84.054008
"997519"	206.615176	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+2ACN+2H"	84.067652
"1592023"	414.131328	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+K+HCOOH"	84.968628
"1419870"	444.162838	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+H+CF3COOH"	115.000138
"1158906"	227.128451	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+3ACN+2H"	125.094202
"1708458"	461.189385	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+NH4+CF3COOH"	132.026685
"1647024"	466.14478	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+Na+CF3COOH"	136.98208
"1585225"	482.11872	"C05178"	"(R)-Reticuline;(1R)-1234-Tetrahydro-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C19H23NO4"	"329.1627"	"M+K+CF3COOH"	152.95602
"815589"	327.1471	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M"	0
"982562"	308.12871	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"71897"	217.090790666667	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"510363"	326.139824	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"890361"	108.041757333333	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"6750"	326.139824	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"448497"	489.713374	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"828484"	162.566274	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"88479"	653.286924	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"525853"	980.434024	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"902561"	326.139824	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"54749"	670.313471	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"491031"	997.460571	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"875397"	343.166371	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"36735"	675.268866	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"474108"	1002.415966	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"854096"	348.121766	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1624724"	348.121766	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"104532"	344.128163	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"547373"	507.701713	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"938342"	180.554613	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"278353"	689.263602	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"667499"	1016.410702	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1280997"	362.116502	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"21367"	691.242806	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"467123"	1018.389906	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"847482"	364.095706	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1569148"	364.095706	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"954117"	372.145294	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"375243"	699.292401	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"357310"	713.308051	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1504682"	386.160951	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"967488"	394.127251	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"120769"	362.116502	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"554862"	525.690052	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1032408"	198.542952	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1250893"	406.065985	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1310063"	408.121972	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1320632"	430.103929	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"919716"	440.132686	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1290955"	476.109364	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1378964"	292.134424	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1394271"	310.1444	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"291773"	655.301476	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"684193"	982.448576	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1362729"	328.154376	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"135618"	328.154376	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"572992"	491.727926	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1050539"	164.580826	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"218079"	219.105342666667	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"655817"	328.154376	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1176859"	110.056309333333	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"438922"	672.328023	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"800037"	999.475123	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1693454"	345.180923	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"339545"	336.6676495	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"731963"	500.2411995	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1485784"	173.0940995	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"402275"	677.283418	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"766549"	1004.430518	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1614648"	350.136318	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"326871"	339.145347	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"719291"	502.718897	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1472018"	175.571797	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1061984"	117.383623333333	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1266945"	360.180586	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"386612"	693.257358	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"743230"	1020.404458	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1544194"	366.110258	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"304649"	347.132317	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"695976"	510.705867	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1449803"	183.558767	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"237310"	696.328026	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1216587"	369.180926	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1199739"	185.094101	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"198808"	699.26536	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"638372"	1026.41246	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1139693"	372.11826	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"184802"	350.136318	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"623637"	513.709868	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1127144"	186.562768	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1411396"	124.710937333333	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1438407"	374.159846	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"233575"	355.16934	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1521638"	388.21189	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"419137"	358.123288	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"783413"	521.696838	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1679382"	194.549738	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"264081"	718.309968	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1235694"	391.162868	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1723852"	391.186393	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1189932"	132.038251333333	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1660917"	396.141788	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"161220"	731.21324	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"604425"	1058.36034	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1088938"	404.06614	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"146485"	366.110258	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"593698"	529.683808	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1078210"	202.536708	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1101943"	406.080692	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1337963"	406.168307	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1006243"	410.207476	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1526808"	411.201108	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"996536"	205.607376	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1594320"	412.115728	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1418887"	442.147238	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1159016"	226.120651	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1708568"	459.173785	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1647498"	464.12918	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1585335"	480.10312	"C05179"	"Salutaridine;Sinoacutine;56814-Tetradehydro-4-hydroxy-36-dimethoxy-17-methyl-morphinan-7-one"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"812421"	353.1263	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M"	0
"976113"	334.10791	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-H2O-H"	-19.01839
"72007"	234.410257333333	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M-3H"	-3.021828
"513763"	352.119024	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M-3H"	-3.021828
"888286"	116.701490666667	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-3H"	-3.021828
"6860"	352.119024	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M-2H"	-2.014552
"451887"	528.682174	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M-2H"	-2.014552
"825318"	175.555874	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-2H"	-2.014552
"84216"	705.245324	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M-H"	-1.007276
"520498"	1058.371624	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M-H"	-1.007276
"901580"	352.119024	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-H"	-1.007276
"47557"	722.271871	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M-2H+NH4"	16.019271
"488214"	1075.398171	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M-2H+NH4"	16.019271
"865171"	369.145571	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-2H+NH4"	16.019271
"34657"	727.227266	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M-2H+Na"	20.974666
"472515"	1080.353566	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M-2H+Na"	20.974666
"853113"	374.100966	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-2H+Na"	20.974666
"1624834"	374.100966	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Na-2H"	20.974666
"105738"	370.107363	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M-H+Cl"	33.962126
"535084"	546.670513	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M-H+Cl"	33.962126
"927631"	193.544213	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-H+Cl"	33.962126
"272270"	741.222002	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+Cl"	34.969402
"665784"	1094.348302	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+Cl"	34.969402
"1278919"	388.095702	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Cl"	34.969402
"25486"	743.201206	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M-2H+K"	36.948606
"466140"	1096.327506	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M-2H+K"	36.948606
"845402"	390.074906	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-2H+K"	36.948606
"1570714"	390.074906	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+K-2H"	36.948606
"956413"	398.124494	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-H+HCOOH"	44.998194
"375356"	751.250801	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+HCOOH-H"	44.998201
"356688"	765.266451	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+Hac-H"	59.013851
"1503336"	412.140151	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Hac-H"	59.013851
"968690"	420.106451	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-H+NaCOOH"	66.980151
"115410"	388.095702	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+2Cl"	69.938804
"551323"	564.658852	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+2Cl"	69.938804
"1022677"	211.532552	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2Cl"	69.938804
"1245537"	432.045185	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Br"	78.918885
"1304823"	434.101172	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Cl+HCOOH"	80.974872
"1322926"	456.083129	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Cl+NaCOOH"	102.956829
"912534"	466.111886	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M-H+CF3COOH"	112.985586
"1297633"	502.088564	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Cl+CF3COOH"	148.962264
"1380167"	318.113624	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H-2H2O"	-35.012676
"1394382"	336.1236	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H-H2O"	-17.0027
"296256"	707.259876	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+H"	1.007276
"682115"	1060.386176	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+H"	1.007276
"1365024"	354.133576	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H"	1.007276
"136820"	354.133576	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+2H"	2.014552
"581015"	530.696726	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+2H"	2.014552
"1049556"	177.570426	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2H"	2.014552
"219777"	236.424809333333	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+3H"	3.021828
"657017"	354.133576	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+3H"	3.021828
"1177819"	118.716042666667	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+3H"	3.021828
"439396"	724.286423	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+NH4"	18.033823
"797233"	1077.412723	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+NH4"	18.033823
"1690283"	371.160123	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+NH4"	18.033823
"342931"	362.6468495	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+H+NH4"	19.041099
"734259"	539.2099995	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+H+NH4"	19.041099
"1486986"	186.0836995	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H+NH4"	19.041099
"402384"	729.241818	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+Na"	22.989218
"762285"	1082.368118	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+Na"	22.989218
"1608197"	376.115518	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Na"	22.989218
"320420"	365.124547	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+H+Na"	23.996494
"708466"	541.687697	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+H+Na"	23.996494
"1463745"	188.561397	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H+Na"	23.996494
"1059907"	126.043356666667	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2H+Na"	25.00377
"1263772"	386.159786	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+CH3OH+H"	33.033486
"385627"	745.215758	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+K"	38.963158
"739573"	1098.342058	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+K"	38.963158
"1540533"	392.089458	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+K"	38.963158
"302572"	373.111517	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+H+K"	39.970434
"695002"	549.674667	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+H+K"	39.970434
"1453196"	196.548367	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H+K"	39.970434
"237425"	748.286426	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+ACN+H"	42.033826
"1219976"	395.160126	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+ACN+H"	42.033826
"1201673"	198.083701	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+ACN+2H"	43.041102
"194548"	751.22376	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+2Na-H"	44.97116
"639578"	1104.35006	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+2Na-H"	44.97116
"1137616"	398.09746	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2Na-H"	44.97116
"182001"	376.115518	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+2Na"	45.978436
"623747"	552.678668	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+2Na"	45.978436
"1127254"	199.552368	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2Na"	45.978436
"1411873"	133.370670666667	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H+2Na"	46.985712
"1440709"	400.139046	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H+HCOOH"	47.012746
"228218"	381.14854	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+3H2O+2H"	56.04448
"1517373"	414.19109	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+IsoProp+H"	61.06479
"418153"	384.102488	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+Na+K"	61.952376
"781336"	560.665638	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+Na+K"	61.952376
"1677670"	207.539338	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Na+K"	61.952376
"265284"	770.268368	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+ACN+Na"	64.015768
"1236897"	417.142068	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+ACN+Na"	64.015768
"1718126"	417.165593	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+NH4+HCOOH"	64.039293
"1190043"	140.697984666667	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+3Na"	68.967654
"1656292"	422.120988	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Na+HCOOH"	68.994688
"158778"	783.17164	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+2K-H"	76.91904
"601255"	1136.29794	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+2K-H"	76.91904
"1089047"	430.04534	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2K-H"	76.91904
"141424"	392.089458	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"2M+2K"	77.926316
"584333"	568.652608	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"3M+2K"	77.926316
"1068558"	215.526308	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2K"	77.926316
"1102779"	432.059892	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2K+H"	78.933592
"1336979"	432.147507	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+DMSO+H"	79.021207
"1006112"	436.186676	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2ACN+H"	83.060376
"1525090"	437.180308	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+IsoProp+Na+H"	84.054008
"990011"	218.596976	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+2ACN+2H"	84.067652
"1591149"	438.094928	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+K+HCOOH"	84.968628
"1415717"	468.126438	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+H+CF3COOH"	115.000138
"1149286"	239.110251	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+3ACN+2H"	125.094202
"1703211"	485.152985	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+NH4+CF3COOH"	132.026685
"1649432"	490.10838	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+Na+CF3COOH"	136.98208
"1585446"	506.08232	"C05189"	"Protopine"	"C20H19NO5"	"353.1263"	"M+K+CF3COOH"	152.95602
"814718"	369.1212	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M"	0
"988251"	350.10281	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-H2O-H"	-19.01839
"69932"	245.073524	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M-3H"	-3.021828
"510595"	368.113924	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M-3H"	-3.021828
"890584"	122.033124	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-3H"	-3.021828
"10254"	368.113924	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M-2H"	-2.014552
"448718"	552.674524	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M-2H"	-2.014552
"823242"	183.553324	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-2H"	-2.014552
"85419"	737.235124	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M-H"	-1.007276
"518898"	1106.356324	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M-H"	-1.007276
"897681"	368.113924	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-H"	-1.007276
"48765"	754.261671	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M-2H+NH4"	16.019271
"488692"	1123.382871	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M-2H+NH4"	16.019271
"866006"	385.140471	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-2H+NH4"	16.019271
"33794"	759.217066	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M-2H+Na"	20.974666
"472625"	1128.338266	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M-2H+Na"	20.974666
"850307"	390.095866	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-2H+Na"	20.974666
"1620570"	390.095866	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Na-2H"	20.974666
"104755"	386.102263	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M-H+Cl"	33.962126
"535323"	570.662863	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M-H+Cl"	33.962126
"929085"	201.541663	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-H+Cl"	33.962126
"272016"	773.211802	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+Cl"	34.969402
"661398"	1142.333002	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+Cl"	34.969402
"1276842"	404.090602	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Cl"	34.969402
"24503"	775.191006	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M-2H+K"	36.948606
"466979"	1144.312206	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M-2H+K"	36.948606
"847700"	406.069806	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-2H+K"	36.948606
"1570586"	406.069806	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+K-2H"	36.948606
"957252"	414.119394	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-H+HCOOH"	44.998194
"375103"	783.240601	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+HCOOH-H"	44.998201
"357891"	797.256251	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+Hac-H"	59.013851
"1502353"	428.135051	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Hac-H"	59.013851
"967708"	436.101351	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-H+NaCOOH"	66.980151
"112363"	404.090602	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+2Cl"	69.938804
"551924"	588.651202	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+2Cl"	69.938804
"1022910"	219.530002	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2Cl"	69.938804
"1242369"	448.040085	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Br"	78.918885
"1304605"	450.096072	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Cl+HCOOH"	80.974872
"1321215"	472.078029	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Cl+NaCOOH"	102.956829
"911672"	482.106786	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M-H+CF3COOH"	112.985586
"1298836"	518.083464	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Cl+CF3COOH"	148.962264
"1379912"	334.108524	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H-2H2O"	-35.012676
"1393398"	352.1185	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H-H2O"	-17.0027
"294176"	739.249676	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+H"	1.007276
"678945"	1108.370876	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+H"	1.007276
"1361854"	370.128476	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H"	1.007276
"134743"	370.128476	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+2H"	2.014552
"581307"	554.689076	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+2H"	2.014552
"1048573"	185.567876	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2H"	2.014552
"218298"	247.088076	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+3H"	3.021828
"653847"	370.128476	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+3H"	3.021828
"1171974"	124.047676	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+3H"	3.021828
"439624"	756.276223	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+NH4"	18.033823
"797342"	1125.397423	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+NH4"	18.033823
"1693672"	387.155023	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+NH4"	18.033823
"343040"	378.6417495	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+H+NH4"	19.041099
"734370"	563.2023495	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+H+NH4"	19.041099
"1487096"	194.0811495	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H+NH4"	19.041099
"402494"	761.231618	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+Na"	22.989218
"766769"	1130.352818	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+Na"	22.989218
"1612681"	392.110418	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Na"	22.989218
"322717"	381.119447	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+H+Na"	23.996494
"711128"	565.680047	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+H+Na"	23.996494
"1462762"	196.558847	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H+Na"	23.996494
"1061110"	131.37499	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2H+Na"	25.00377
"1259507"	402.154686	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+CH3OH+H"	33.033486
"384644"	777.205558	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+K"	38.963158
"738955"	1146.326758	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+K"	38.963158
"1541493"	408.084358	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+K"	38.963158
"302681"	389.106417	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+H+K"	39.970434
"694019"	573.667017	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+H+K"	39.970434
"1450026"	204.545817	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H+K"	39.970434
"237898"	780.276226	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+ACN+H"	42.033826
"1218992"	411.155026	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+ACN+H"	42.033826
"1199596"	206.081151	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+ACN+2H"	43.041102
"199031"	783.21356	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+2Na-H"	44.97116
"636406"	1152.33476	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+2Na-H"	44.97116
"1141735"	414.09236	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2Na-H"	44.97116
"182838"	392.110418	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+2Na"	45.978436
"620577"	576.671018	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+2Na"	45.978436
"1128457"	207.549818	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2Na"	45.978436
"1413202"	138.702304	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H+2Na"	46.985712
"1440819"	416.133946	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H+HCOOH"	47.012746
"230515"	397.14344	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+3H2O+2H"	56.04448
"1514203"	430.18599	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+IsoProp+H"	61.06479
"418263"	400.097388	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+Na+K"	61.952376
"783269"	584.657988	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+Na+K"	61.952376
"1678752"	215.536788	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Na+K"	61.952376
"258833"	802.258168	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+ACN+Na"	64.015768
"1237006"	433.136968	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+ACN+Na"	64.015768
"1720424"	433.160493	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+NH4+HCOOH"	64.039293
"1190883"	146.029618	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+3Na"	68.967654
"1656402"	438.115888	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Na+HCOOH"	68.994688
"161076"	815.16144	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+2K-H"	76.91904
"605377"	1184.28264	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+2K-H"	76.91904
"1094260"	446.04024	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2K-H"	76.91904
"146705"	408.084358	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"2M+2K"	77.926316
"585173"	592.644958	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"3M+2K"	77.926316
"1071873"	223.523758	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2K"	77.926316
"1103982"	448.054792	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2K+H"	78.933592
"1337089"	448.142407	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+DMSO+H"	79.021207
"1007805"	452.181576	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2ACN+H"	83.060376
"1527024"	453.175208	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+IsoProp+Na+H"	84.054008
"990676"	226.594426	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+2ACN+2H"	84.067652
"1587977"	454.089828	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+K+HCOOH"	84.968628
"1416918"	484.121338	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+H+CF3COOH"	115.000138
"1150488"	247.107701	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+3ACN+2H"	125.094202
"1704413"	501.147885	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+NH4+CF3COOH"	132.026685
"1644438"	506.10328	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+Na+CF3COOH"	136.98208
"1585556"	522.07722	"C05190"	"6-Hydroxyprotopine"	"C20H19NO6"	"369.1212"	"M+K+CF3COOH"	152.95602
"814828"	333.1001	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M"	0
"981800"	314.08171	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-H2O-H"	-19.01839
"64573"	221.059457333333	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M-3H"	-3.021828
"512892"	332.092824	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M-3H"	-3.021828
"892881"	110.026090666667	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-3H"	-3.021828
"11822"	332.092824	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H"	-2.014552
"448828"	498.642874	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H"	-2.014552
"827726"	165.542774	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-2H"	-2.014552
"87716"	665.192924	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M-H"	-1.007276
"520110"	998.293024	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M-H"	-1.007276
"900707"	332.092824	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-H"	-1.007276
"47664"	682.219471	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H+NH4"	16.019271
"488806"	1015.319571	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H+NH4"	16.019271
"865391"	349.119371	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-2H+NH4"	16.019271
"33782"	687.174866	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H+Na"	20.974666
"474437"	1020.274966	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H+Na"	20.974666
"849809"	354.074766	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-2H+Na"	20.974666
"1619708"	354.074766	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Na-2H"	20.974666
"101585"	350.081163	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M-H+Cl"	33.962126
"535189"	516.631213	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M-H+Cl"	33.962126
"934662"	183.531113	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-H+Cl"	33.962126
"274313"	701.169602	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+Cl"	34.969402
"660777"	1034.269702	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+Cl"	34.969402
"1276585"	368.069502	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl"	34.969402
"18412"	703.148806	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H+K"	36.948606
"467817"	1036.248906	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H+K"	36.948606
"848097"	370.048706	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-2H+K"	36.948606
"1570820"	370.048706	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+K-2H"	36.948606
"958310"	378.098294	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-H+HCOOH"	44.998194
"375942"	711.198401	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+HCOOH-H"	44.998201
"359094"	725.214051	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+Hac-H"	59.013851
"1501370"	392.113951	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Hac-H"	59.013851
"968912"	400.080251	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-H+NaCOOH"	66.980151
"115632"	368.069502	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+2Cl"	69.938804
"556287"	534.619552	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+2Cl"	69.938804
"1025086"	201.519452	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2Cl"	69.938804
"1246853"	412.018985	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Br"	78.918885
"1305045"	414.074972	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl+HCOOH"	80.974872
"1320839"	436.056929	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl+NaCOOH"	102.956829
"912023"	446.085686	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M-H+CF3COOH"	112.985586
"1298946"	482.062364	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl+CF3COOH"	148.962264
"1380022"	298.087424	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H-2H2O"	-35.012676
"1393507"	316.0974	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H-H2O"	-17.0027
"296109"	667.207476	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+H"	1.007276
"689988"	1000.307576	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+H"	1.007276
"1365245"	334.107376	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H"	1.007276
"131573"	334.107376	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+2H"	2.014552
"580611"	500.657426	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+2H"	2.014552
"1052207"	167.557326	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2H"	2.014552
"218776"	223.074009333333	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+3H"	3.021828
"653957"	334.107376	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+3H"	3.021828
"1177188"	112.040642666667	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+3H"	3.021828
"439009"	684.234023	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+NH4"	18.033823
"795265"	1017.334123	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+NH4"	18.033823
"1692325"	351.133923	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+NH4"	18.033823
"339870"	342.6206495	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+H+NH4"	19.041099
"734478"	509.1706995	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+H+NH4"	19.041099
"1486113"	176.0705995	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H+NH4"	19.041099
"401511"	689.189418	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+Na"	22.989218
"765786"	1022.289518	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+Na"	22.989218
"1610604"	356.089318	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Na"	22.989218
"322827"	345.098347	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+H+Na"	23.996494
"717436"	511.648397	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+H+Na"	23.996494
"1469070"	178.548297	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H+Na"	23.996494
"1062315"	119.367956666667	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2H+Na"	25.00377
"1260714"	366.133586	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+CH3OH+H"	33.033486
"385851"	705.163358	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+K"	38.963158
"739433"	1038.263458	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+K"	38.963158
"1540634"	372.063258	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+K"	38.963158
"301698"	353.085317	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+H+K"	39.970434
"695222"	519.635367	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+H+K"	39.970434
"1452323"	186.535267	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H+K"	39.970434
"238738"	708.234026	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+ACN+H"	42.033826
"1212541"	375.133926	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+ACN+H"	42.033826
"1197518"	188.070601	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+ACN+2H"	43.041102
"199869"	711.17136	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+2Na-H"	44.97116
"638699"	1044.27146	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+2Na-H"	44.97116
"1140017"	378.07126	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2Na-H"	44.97116
"184403"	356.089318	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+2Na"	45.978436
"621779"	522.639368	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+2Na"	45.978436
"1123099"	189.539268	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2Na"	45.978436
"1408810"	126.695270666667	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H+2Na"	46.985712
"1439834"	380.112846	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H+HCOOH"	47.012746
"227343"	361.12234	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+3H2O+2H"	56.04448
"1512124"	394.16489	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+IsoProp+H"	61.06479
"411812"	364.076288	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+Na+K"	61.952376
"779368"	530.626338	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+Na+K"	61.952376
"1678983"	197.526238	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Na+K"	61.952376
"263316"	730.215968	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+ACN+Na"	64.015768
"1236023"	397.115868	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+ACN+Na"	64.015768
"1724907"	397.139393	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+NH4+HCOOH"	64.039293
"1189537"	134.022584666667	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+3Na"	68.967654
"1654324"	402.094788	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Na+HCOOH"	68.994688
"161185"	743.11924	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+2K-H"	76.91904
"604391"	1076.21934	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+2K-H"	76.91904
"1092183"	410.01914	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2K-H"	76.91904
"146815"	372.063258	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"2M+2K"	77.926316
"587470"	538.613308	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"3M+2K"	77.926316
"1071983"	205.513208	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2K"	77.926316
"1102391"	412.033692	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2K+H"	78.933592
"1336590"	412.121307	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+DMSO+H"	79.021207
"1007915"	416.160476	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2ACN+H"	83.060376
"1526162"	417.154108	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+IsoProp+Na+H"	84.054008
"992489"	208.583876	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+2ACN+2H"	84.067652
"1588209"	418.068728	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+K+HCOOH"	84.968628
"1418122"	448.100238	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+H+CF3COOH"	115.000138
"1150598"	229.097151	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+3ACN+2H"	125.094202
"1704523"	465.126785	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+NH4+CF3COOH"	132.026685
"1644548"	470.08218	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+Na+CF3COOH"	136.98208
"1585666"	486.05612	"C05191"	"Dihydrosanguinarine;1314-Dihydro-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C20H15NO4"	"333.1001"	"M+K+CF3COOH"	152.95602
"813845"	379.1056	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M"	0
"979723"	360.08721	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-H2O-H"	-19.01839
"63590"	251.729790666667	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M-3H"	-3.021828
"514096"	378.098324	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M-3H"	-3.021828
"889712"	125.361257333333	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-3H"	-3.021828
"9380"	378.098324	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M-2H"	-2.014552
"451855"	567.651124	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M-2H"	-2.014552
"823462"	188.545524	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-2H"	-2.014552
"86735"	757.203924	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M-H"	-1.007276
"518714"	1136.309524	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M-H"	-1.007276
"896443"	378.098324	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-H"	-1.007276
"47189"	774.230471	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M-2H+NH4"	16.019271
"487293"	1153.336071	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M-2H+NH4"	16.019271
"864449"	395.124871	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-2H+NH4"	16.019271
"31702"	779.185866	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M-2H+Na"	20.974666
"474550"	1158.291466	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M-2H+Na"	20.974666
"849232"	400.080266	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-2H+Na"	20.974666
"1624073"	400.080266	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Na-2H"	20.974666
"97322"	396.086663	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M-H+Cl"	33.962126
"539068"	585.639463	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M-H+Cl"	33.962126
"928940"	206.533863	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-H+Cl"	33.962126
"270777"	793.180602	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+Cl"	34.969402
"660646"	1172.286202	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+Cl"	34.969402
"1276695"	414.075002	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Cl"	34.969402
"18886"	795.159806	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M-2H+K"	36.948606
"464646"	1174.265406	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M-2H+K"	36.948606
"847922"	416.054206	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-2H+K"	36.948606
"1571046"	416.054206	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+K-2H"	36.948606
"954918"	424.103794	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-H+HCOOH"	44.998194
"376172"	803.209401	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+HCOOH-H"	44.998201
"357017"	817.225051	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+Hac-H"	59.013851
"1504759"	438.119451	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Hac-H"	59.013851
"970116"	446.085751	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-H+NaCOOH"	66.980151
"117928"	414.075002	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+2Cl"	69.938804
"551293"	603.627802	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+2Cl"	69.938804
"1027382"	224.522202	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2Cl"	69.938804
"1241737"	458.024485	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Br"	78.918885
"1304260"	460.080472	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Cl+HCOOH"	80.974872
"1328001"	482.062429	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Cl+NaCOOH"	102.956829
"922342"	492.091186	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M-H+CF3COOH"	112.985586
"1301239"	528.067864	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Cl+CF3COOH"	148.962264
"1378306"	344.092924	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H-2H2O"	-35.012676
"1393615"	362.1029	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H-H2O"	-17.0027
"294393"	759.218476	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+H"	1.007276
"689368"	1138.324076	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+H"	1.007276
"1364256"	380.112876	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H"	1.007276
"140311"	380.112876	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+2H"	2.014552
"576711"	569.665676	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+2H"	2.014552
"1052319"	190.560076	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2H"	2.014552
"217787"	253.744342666667	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+3H"	3.021828
"655160"	380.112876	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+3H"	3.021828
"1176203"	127.375809333333	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+3H"	3.021828
"438873"	776.245023	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+NH4"	18.033823
"798651"	1155.350623	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+NH4"	18.033823
"1693891"	397.139423	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+NH4"	18.033823
"342166"	388.6261495	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+H+NH4"	19.041099
"737503"	578.1789495	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+H+NH4"	19.041099
"1489503"	199.0733495	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H+NH4"	19.041099
"397251"	781.200418	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+Na"	22.989218
"758245"	1160.306018	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+Na"	22.989218
"1610714"	402.094818	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Na"	22.989218
"320752"	391.103847	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+H+Na"	23.996494
"712080"	580.656647	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+H+Na"	23.996494
"1465898"	201.551047	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H+Na"	23.996494
"1056957"	134.703123333333	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2H+Na"	25.00377
"1259730"	412.139086	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+CH3OH+H"	33.033486
"384866"	797.174358	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+K"	38.963158
"741489"	1176.279958	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+K"	38.963158
"1540987"	418.068758	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+K"	38.963158
"299014"	399.090817	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+H+K"	39.970434
"695333"	588.643617	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+H+K"	39.970434
"1453526"	209.538017	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H+K"	39.970434
"241035"	800.245026	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+ACN+H"	42.033826
"1212651"	421.139426	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+ACN+H"	42.033826
"1195562"	211.073351	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+ACN+2H"	43.041102
"194874"	803.18236	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+2Na-H"	44.97116
"635529"	1182.28796	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+2Na-H"	44.97116
"1143045"	424.07676	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2Na-H"	44.97116
"183418"	402.094818	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+2Na"	45.978436
"621525"	591.647618	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+2Na"	45.978436
"1125394"	212.542018	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2Na"	45.978436
"1408921"	142.030437333333	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H+2Na"	46.985712
"1441038"	426.118346	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H+HCOOH"	47.012746
"230734"	407.12784	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+3H2O+2H"	56.04448
"1515516"	440.17039	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+IsoProp+H"	61.06479
"417390"	410.081788	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+Na+K"	61.952376
"785276"	599.634588	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+Na+K"	61.952376
"1680186"	220.528988	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Na+K"	61.952376
"263427"	822.226968	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+ACN+Na"	64.015768
"1239049"	443.121368	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+ACN+Na"	64.015768
"1725017"	443.144893	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+NH4+HCOOH"	64.039293
"1190376"	149.357751333333	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+3Na"	68.967654
"1659173"	448.100288	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Na+HCOOH"	68.994688
"166035"	835.13024	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+2K-H"	76.91904
"607781"	1214.23584	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+2K-H"	76.91904
"1092295"	456.02464	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2K-H"	76.91904
"152030"	418.068758	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"2M+2K"	77.926316
"590860"	607.621558	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"3M+2K"	77.926316
"1072093"	228.515958	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2K"	77.926316
"1103113"	458.039192	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2K+H"	78.933592
"1340593"	458.126807	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+DMSO+H"	79.021207
"1009121"	462.165976	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2ACN+H"	83.060376
"1527247"	463.159608	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+IsoProp+Na+H"	84.054008
"996976"	231.586626	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+2ACN+2H"	84.067652
"1592574"	464.074228	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+K+HCOOH"	84.968628
"1421514"	494.105738	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+H+CF3COOH"	115.000138
"1156176"	252.099901	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+3ACN+2H"	125.094202
"1703540"	511.132285	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+NH4+CF3COOH"	132.026685
"1649522"	516.08768	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+Na+CF3COOH"	136.98208
"1585776"	532.06162	"C05193"	"12-Hydroxydihydrochelirubine;12-Hydroxychelirubine"	"C21H17NO6"	"379.1056"	"M+K+CF3COOH"	152.95602
"806300"	363.1107	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M"	0
"978738"	344.09231	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-H2O-H"	-19.01839
"64793"	241.066524	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M-3H"	-3.021828
"513114"	362.103424	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M-3H"	-3.021828
"885448"	120.029624	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-3H"	-3.021828
"9489"	362.103424	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M-2H"	-2.014552
"451236"	543.658774	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M-2H"	-2.014552
"821385"	180.548074	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-2H"	-2.014552
"84658"	725.214124	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M-H"	-1.007276
"518694"	1088.324824	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M-H"	-1.007276
"895728"	362.103424	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-H"	-1.007276
"47220"	742.240671	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M-2H+NH4"	16.019271
"487274"	1105.351371	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M-2H+NH4"	16.019271
"864366"	379.129971	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-2H+NH4"	16.019271
"31460"	747.196066	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M-2H+Na"	20.974666
"471863"	1110.306766	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M-2H+Na"	20.974666
"849012"	384.085366	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-2H+Na"	20.974666
"1624183"	384.085366	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Na-2H"	20.974666
"97796"	380.091763	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M-H+Cl"	33.962126
"538085"	561.647113	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M-H+Cl"	33.962126
"931600"	198.536413	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-H+Cl"	33.962126
"271251"	761.190802	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+Cl"	34.969402
"660754"	1124.301502	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+Cl"	34.969402
"1273359"	398.080102	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Cl"	34.969402
"17172"	763.170006	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M-2H+K"	36.948606
"462204"	1126.280706	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M-2H+K"	36.948606
"838912"	400.059306	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-2H+K"	36.948606
"1568236"	400.059306	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+K-2H"	36.948606
"955028"	408.108894	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-H+HCOOH"	44.998194
"373974"	771.219601	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+HCOOH-H"	44.998201
"357127"	785.235251	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+Hac-H"	59.013851
"1504505"	422.124551	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Hac-H"	59.013851
"969131"	430.090851	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-H+NaCOOH"	66.980151
"116944"	398.080102	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+2Cl"	69.938804
"551403"	579.635452	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+2Cl"	69.938804
"1027492"	216.524752	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2Cl"	69.938804
"1242333"	442.029585	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Br"	78.918885
"1304204"	444.085572	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Cl+HCOOH"	80.974872
"1324831"	466.067529	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Cl+NaCOOH"	102.956829
"920265"	476.096286	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M-H+CF3COOH"	112.985586
"1298070"	512.072964	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Cl+CF3COOH"	148.962264
"1376230"	328.098024	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H-2H2O"	-35.012676
"1392632"	346.108	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H-H2O"	-17.0027
"290130"	727.228676	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+H"	1.007276
"688020"	1090.339376	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+H"	1.007276
"1362180"	364.117976	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H"	1.007276
"136165"	364.117976	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+2H"	2.014552
"580469"	545.673326	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+2H"	2.014552
"1051940"	182.562626	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2H"	2.014552
"215709"	243.081076	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+3H"	3.021828
"654176"	364.117976	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+3H"	3.021828
"1173397"	122.044176	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+3H"	3.021828
"438496"	744.255223	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+NH4"	18.033823
"797667"	1107.365923	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+NH4"	18.033823
"1690719"	381.144523	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+NH4"	18.033823
"341182"	372.6312495	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+H+NH4"	19.041099
"733605"	554.1865995	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+H+NH4"	19.041099
"1486334"	191.0758995	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H+NH4"	19.041099
"401735"	749.210618	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+Na"	22.989218
"755805"	1112.321318	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+Na"	22.989218
"1603903"	386.099918	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Na"	22.989218
"314909"	375.108947	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+H+Na"	23.996494
"708179"	556.664297	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+H+Na"	23.996494
"1463091"	193.553597	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H+Na"	23.996494
"1053787"	129.37149	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2H+Na"	25.00377
"1258747"	396.144186	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+CH3OH+H"	33.033486
"382789"	765.184558	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+K"	38.963158
"739777"	1128.295258	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+K"	38.963158
"1540081"	402.073858	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+K"	38.963158
"298957"	383.095917	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+H+K"	39.970434
"695443"	564.651267	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+H+K"	39.970434
"1454730"	201.540567	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H+K"	39.970434
"241145"	768.255226	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+ACN+H"	42.033826
"1218229"	405.144526	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+ACN+H"	42.033826
"1198833"	203.075901	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+ACN+2H"	43.041102
"197172"	771.19256	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+2Na-H"	44.97116
"632359"	1134.30326	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+2Na-H"	44.97116
"1139145"	408.08186	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2Na-H"	44.97116
"176967"	386.099918	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+2Na"	45.978436
"624549"	567.655268	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+2Na"	45.978436
"1127693"	204.544568	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2Na"	45.978436
"1409030"	136.698804	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H+2Na"	46.985712
"1437868"	410.123446	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H+HCOOH"	47.012746
"233033"	391.13294	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+3H2O+2H"	56.04448
"1518906"	424.17549	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+IsoProp+H"	61.06479
"419687"	394.086888	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+Na+K"	61.952376
"782871"	575.642238	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+Na+K"	61.952376
"1678110"	212.531538	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Na+K"	61.952376
"260256"	790.237168	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+ACN+Na"	64.015768
"1235149"	427.126468	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+ACN+Na"	64.015768
"1726220"	427.149993	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+NH4+HCOOH"	64.039293
"1186110"	144.026118	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+3Na"	68.967654
"1654180"	432.105388	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Na+HCOOH"	68.994688
"158854"	803.14044	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+2K-H"	76.91904
"601695"	1166.25114	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+2K-H"	76.91904
"1086572"	440.02974	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2K-H"	76.91904
"143875"	402.073858	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"2M+2K"	77.926316
"587688"	583.629208	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"3M+2K"	77.926316
"1069038"	220.518508	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2K"	77.926316
"1100071"	442.044292	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2K+H"	78.933592
"1340703"	442.131907	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+DMSO+H"	79.021207
"1009231"	446.171076	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2ACN+H"	83.060376
"1530639"	447.164708	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+IsoProp+Na+H"	84.054008
"995993"	223.589176	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+2ACN+2H"	84.067652
"1592684"	448.079328	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+K+HCOOH"	84.968628
"1419438"	478.110838	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+H+CF3COOH"	115.000138
"1156286"	244.102451	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+3ACN+2H"	125.094202
"1703650"	495.137385	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+NH4+CF3COOH"	132.026685
"1649510"	500.09278	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+Na+CF3COOH"	136.98208
"1585886"	516.06672	"C05194"	"Dihydrochelirubine;1314-Dihydro-5-methoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C21H17NO5"	"363.1107"	"M+K+CF3COOH"	152.95602
"806410"	887.1363	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M"	0
"978848"	868.11791	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H2O-H"	-19.01839
"68183"	590.416924	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-3H"	-3.021828
"514317"	886.129024	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-3H"	-3.021828
"886651"	294.704824	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-3H"	-3.021828
"9599"	886.129024	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H"	-2.014552
"451346"	1329.697174	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H"	-2.014552
"823682"	442.560874	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H"	-2.014552
"88047"	1773.265324	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-H"	-1.007276
"519212"	2660.401624	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-H"	-1.007276
"896286"	886.129024	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H"	-1.007276
"47278"	1790.291871	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+NH4"	16.019271
"487794"	2677.428171	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+NH4"	16.019271
"865481"	903.155571	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+NH4"	16.019271
"31962"	1795.247266	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+Na"	20.974666
"474768"	2682.383566	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+Na"	20.974666
"848607"	908.110966	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+Na"	20.974666
"1622107"	908.110966	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na-2H"	20.974666
"98999"	904.117363	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-H+Cl"	33.962126
"537466"	1347.685513	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-H+Cl"	33.962126
"932439"	460.549213	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+Cl"	33.962126
"271361"	1809.242002	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Cl"	34.969402
"660865"	2696.378302	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Cl"	34.969402
"1274362"	922.105702	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl"	34.969402
"17403"	1811.221206	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+K"	36.948606
"460854"	2698.357506	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+K"	36.948606
"837561"	924.084906	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+K"	36.948606
"1562877"	924.084906	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K-2H"	36.948606
"951855"	932.134494	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+HCOOH"	44.998194
"367887"	1819.270801	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+HCOOH-H"	44.998201
"353958"	1833.286451	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Hac-H"	59.013851
"1504978"	946.150151	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Hac-H"	59.013851
"973249"	954.116451	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+NaCOOH"	66.980151
"119243"	922.105702	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Cl"	69.938804
"552242"	1365.673852	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Cl"	69.938804
"1028697"	478.537552	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Cl"	69.938804
"1243534"	966.055185	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Br"	78.918885
"1304926"	968.111172	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+HCOOH"	80.974872
"1321294"	990.093129	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+NaCOOH"	102.956829
"920375"	1000.121886	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+CF3COOH"	112.985586
"1301459"	1036.098564	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+CF3COOH"	148.962264
"1379619"	852.123624	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H-2H2O"	-35.012676
"1393835"	870.1336	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H-H2O"	-17.0027
"294613"	1775.279876	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H"	1.007276
"690316"	2662.416176	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H"	1.007276
"1364476"	888.143576	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H"	1.007276
"140283"	888.143576	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2H"	2.014552
"580946"	1331.711726	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2H"	2.014552
"1047918"	444.575426	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2H"	2.014552
"213632"	592.431476	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+3H"	3.021828
"655379"	888.143576	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+3H"	3.021828
"1176059"	296.719376	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3H"	3.021828
"438973"	1792.306423	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+NH4"	18.033823
"799843"	2679.442723	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+NH4"	18.033823
"1693017"	905.170123	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4"	18.033823
"343116"	896.6568495	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+NH4"	19.041099
"736995"	1340.2249995	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+NH4"	19.041099
"1488630"	453.0886995	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+NH4"	19.041099
"404031"	1797.261818	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Na"	22.989218
"757374"	2684.398118	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Na"	22.989218
"1606565"	910.125518	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na"	22.989218
"314937"	899.134547	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+Na"	23.996494
"710478"	1342.702697	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+Na"	23.996494
"1462110"	455.566397	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+Na"	23.996494
"1054016"	304.04669	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2H+Na"	25.00377
"1258129"	920.169786	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+CH3OH+H"	33.033486
"381806"	1813.235758	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+K"	38.963158
"740251"	2700.372058	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+K"	38.963158
"1541204"	926.099458	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K"	38.963158
"299843"	907.121517	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+K"	39.970434
"697739"	1350.689667	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+K"	39.970434
"1453746"	463.553367	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+K"	39.970434
"240162"	1816.306426	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+ACN+H"	42.033826
"1212871"	929.170126	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+H"	42.033826
"1200036"	465.088701	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+2H"	43.041102
"196189"	1819.24376	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Na-H"	44.97116
"631374"	2706.38006	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Na-H"	44.97116
"1140349"	932.10746	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Na-H"	44.97116
"180357"	910.125518	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Na"	45.978436
"625387"	1353.693668	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Na"	45.978436
"1125617"	466.557368	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Na"	45.978436
"1411326"	311.374004	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+2Na"	46.985712
"1439071"	934.149046	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+HCOOH"	47.012746
"231686"	915.15854	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+3H2O+2H"	56.04448
"1517923"	948.20109	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+IsoProp+H"	61.06479
"418704"	918.112488	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Na+K"	61.952376
"780795"	1361.680638	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Na+K"	61.952376
"1673848"	474.544338	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+K"	61.952376
"257087"	1838.288368	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+ACN+Na"	64.015768
"1231251"	951.152068	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+Na"	64.015768
"1722323"	951.175593	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4+HCOOH"	64.039293
"1181481"	318.701318	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3Na"	68.967654
"1651738"	956.130988	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+HCOOH"	68.994688
"158353"	1851.19164	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2K-H"	76.91904
"601439"	2738.32794	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2K-H"	76.91904
"1089233"	964.05534	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K-H"	76.91904
"143864"	926.099458	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2K"	77.926316
"582206"	1369.667608	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2K"	77.926316
"1071218"	482.531308	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K"	77.926316
"1100656"	966.069892	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K+H"	78.933592
"1336189"	966.157507	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+DMSO+H"	79.021207
"1008249"	970.196676	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2ACN+H"	83.060376
"1529656"	971.190308	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+IsoProp+Na+H"	84.054008
"995010"	485.601976	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2ACN+2H"	84.067652
"1590608"	972.104928	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K+HCOOH"	84.968628
"1418455"	1002.136438	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+CF3COOH"	115.000138
"1156396"	506.115251	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3ACN+2H"	125.094202
"1703760"	1019.162985	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4+CF3COOH"	132.026685
"1648161"	1024.11838	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+CF3COOH"	136.98208
"1585996"	1040.09232	"C05195"	"3-Hydroxybenzoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K+CF3COOH"	152.95602
"811991"	251.1018	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M"	0
"989763"	232.08341	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H2O-H"	-19.01839
"78239"	166.393924	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-3H"	-3.021828
"518033"	250.094524	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-3H"	-3.021828
"893321"	82.693324	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-3H"	-3.021828
"10803"	250.094524	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H"	-2.014552
"451455"	375.645424	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H"	-2.014552
"822698"	124.543624	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H"	-2.014552
"84876"	501.196324	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-H"	-1.007276
"520306"	752.298124	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-H"	-1.007276
"897378"	250.094524	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H"	-1.007276
"50054"	518.222871	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+NH4"	16.019271
"487191"	769.324671	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+NH4"	16.019271
"869604"	267.121071	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+NH4"	16.019271
"32032"	523.178266	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+Na"	20.974666
"475971"	774.280066	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+Na"	20.974666
"854867"	272.076466	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+Na"	20.974666
"1622214"	272.076466	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na-2H"	20.974666
"99837"	268.082863	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-H+Cl"	33.962126
"536483"	393.633763	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-H+Cl"	33.962126
"929631"	142.531963	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+Cl"	33.962126
"271834"	537.173002	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Cl"	34.969402
"664620"	788.274802	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Cl"	34.969402
"1273253"	286.071202	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl"	34.969402
"19578"	539.152206	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+K"	36.948606
"457194"	790.254006	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+K"	36.948606
"843874"	288.050406	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+K"	36.948606
"1567364"	288.050406	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K-2H"	36.948606
"949780"	296.099994	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+HCOOH"	44.998194
"367994"	547.201801	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+HCOOH-H"	44.998201
"351878"	561.217451	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Hac-H"	59.013851
"1500714"	310.115651	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Hac-H"	59.013851
"971538"	318.081951	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+NaCOOH"	66.980151
"121540"	286.071202	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Cl"	69.938804
"553446"	411.622102	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Cl"	69.938804
"1029899"	160.520302	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Cl"	69.938804
"1248385"	330.020685	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Br"	78.918885
"1316308"	332.076672	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+HCOOH"	80.974872
"1330522"	354.058629	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+NaCOOH"	102.956829
"917206"	364.087386	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+CF3COOH"	112.985586
"1299382"	400.064064	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+CF3COOH"	148.962264
"1379732"	216.089124	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H-2H2O"	-35.012676
"1397225"	234.0991	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H-H2O"	-17.0027
"294723"	503.210876	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H"	1.007276
"689335"	754.312676	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H"	1.007276
"1364592"	252.109076	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H"	1.007276
"135295"	252.109076	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2H"	2.014552
"579232"	377.659976	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2H"	2.014552
"1049493"	126.558176	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2H"	2.014552
"219747"	168.408476	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+3H"	3.021828
"656956"	252.109076	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+3H"	3.021828
"1169247"	84.707876	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3H"	3.021828
"434705"	520.237423	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+NH4"	18.033823
"795703"	771.339223	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+NH4"	18.033823
"1692032"	269.135623	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4"	18.033823
"341407"	260.6223495	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+NH4"	19.041099
"733826"	386.1732495	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+NH4"	19.041099
"1485461"	135.0714495	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+NH4"	19.041099
"397580"	525.192818	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Na"	22.989218
"760763"	776.294618	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Na"	22.989218
"1611048"	274.091018	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na"	22.989218
"323272"	263.100047	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+Na"	23.996494
"709132"	388.650947	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+Na"	23.996494
"1466230"	137.549147	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+Na"	23.996494
"1055100"	92.03519	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2H+Na"	25.00377
"1266620"	284.135286	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+CH3OH+H"	33.033486
"383009"	541.166758	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+K"	38.963158
"739752"	792.268558	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+K"	38.963158
"1541686"	290.064958	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K"	38.963158
"301053"	271.087017	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+K"	39.970434
"695658"	396.637917	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+K"	39.970434
"1447655"	145.536117	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+K"	39.970434
"237472"	544.237426	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+ACN+H"	42.033826
"1211396"	293.135626	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+H"	42.033826
"1196866"	147.071451	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+2H"	43.041102
"193018"	547.17476	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Na-H"	44.97116
"632579"	798.27656	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Na-H"	44.97116
"1144106"	296.07296	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Na-H"	44.97116
"184846"	274.091018	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Na"	45.978436
"624408"	399.641918	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Na"	45.978436
"1125725"	148.540118	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Na"	45.978436
"1409249"	99.362504	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+2Na"	46.985712
"1442462"	298.114546	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+HCOOH"	47.012746
"228876"	279.12404	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+3H2O+2H"	56.04448
"1516940"	312.16659	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+IsoProp+H"	61.06479
"418813"	282.077988	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Na+K"	61.952376
"780904"	407.628888	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Na+K"	61.952376
"1676140"	156.527088	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+K"	61.952376
"262293"	566.219368	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+ACN+Na"	64.015768
"1232457"	315.117568	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+Na"	64.015768
"1720249"	315.141093	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4+HCOOH"	64.039293
"1184143"	106.689818	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3Na"	68.967654
"1651483"	320.096488	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+HCOOH"	68.994688
"161991"	579.12264	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2K-H"	76.91904
"603738"	830.22444	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2K-H"	76.91904
"1091529"	328.02084	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K-H"	76.91904
"143973"	290.064958	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2K"	77.926316
"584626"	415.615858	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2K"	77.926316
"1069624"	164.514058	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K"	77.926316
"1101373"	330.035392	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K+H"	78.933592
"1337755"	330.123007	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+DMSO+H"	79.021207
"1006410"	334.162176	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2ACN+H"	83.060376
"1527576"	335.155808	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+IsoProp+Na+H"	84.054008
"1000953"	167.584726	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2ACN+2H"	84.067652
"1598370"	336.070428	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K+HCOOH"	84.968628
"1427311"	366.101938	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+CF3COOH"	115.000138
"1156506"	188.098001	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3ACN+2H"	125.094202
"1707149"	383.128485	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4+CF3COOH"	132.026685
"1644989"	388.08388	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+CF3COOH"	136.98208
"1586108"	404.05782	"C05198"	"5-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K+CF3COOH"	152.95602
"816475"	562.4022	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M"	0
"988798"	543.38381	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-H2O-H"	-19.01839
"76066"	373.927524	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M-3H"	-3.021828
"517572"	561.394924	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M-3H"	-3.021828
"892338"	186.460124	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-3H"	-3.021828
"2894"	561.394924	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M-2H"	-2.014552
"442092"	842.596024	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M-2H"	-2.014552
"823901"	280.193824	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-2H"	-2.014552
"80246"	1123.797124	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M-H"	-1.007276
"521268"	1686.199324	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M-H"	-1.007276
"896270"	561.394924	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-H"	-1.007276
"48098"	1140.823671	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M-2H+NH4"	16.019271
"488631"	1703.225871	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M-2H+NH4"	16.019271
"869715"	578.421471	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-2H+NH4"	16.019271
"39803"	1145.779066	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M-2H+Na"	20.974666
"477176"	1708.181266	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M-2H+Na"	20.974666
"852790"	583.376866	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-2H+Na"	20.974666
"1623417"	583.376866	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Na-2H"	20.974666
"104322"	579.383263	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M-H+Cl"	33.962126
"539509"	860.584363	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M-H+Cl"	33.962126
"928157"	298.182163	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-H+Cl"	33.962126
"268662"	1159.773802	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+Cl"	34.969402
"663272"	1722.176002	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+Cl"	34.969402
"1277863"	597.371602	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Cl"	34.969402
"18961"	1161.753006	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M-2H+K"	36.948606
"459982"	1724.155206	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M-2H+K"	36.948606
"842891"	599.350806	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-2H+K"	36.948606
"1565286"	599.350806	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+K-2H"	36.948606
"948798"	607.400394	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-H+HCOOH"	44.998194
"364826"	1169.802601	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+HCOOH-H"	44.998201
"355273"	1183.818251	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+Hac-H"	59.013851
"1505201"	621.416051	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Hac-H"	59.013851
"971648"	629.382351	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-H+NaCOOH"	66.980151
"119463"	597.371602	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+2Cl"	69.938804
"556836"	878.572702	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+2Cl"	69.938804
"1032196"	316.170502	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2Cl"	69.938804
"1245215"	641.321085	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Br"	78.918885
"1314227"	643.377072	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Cl+HCOOH"	80.974872
"1332457"	665.359029	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Cl+NaCOOH"	102.956829
"923880"	675.387786	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M-H+CF3COOH"	112.985586
"1300590"	711.364464	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Cl+CF3COOH"	148.962264
"1378750"	527.389524	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H-2H2O"	-35.012676
"1396243"	545.3995	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H-H2O"	-17.0027
"297389"	1125.811676	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+H"	1.007276
"681794"	1688.213876	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+H"	1.007276
"1365068"	563.409476	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H"	1.007276
"140513"	563.409476	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+2H"	2.014552
"580080"	844.610576	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+2H"	2.014552
"1051426"	282.208376	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2H"	2.014552
"219962"	375.942076	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+3H"	3.021828
"657430"	563.409476	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+3H"	3.021828
"1167170"	188.474676	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+3H"	3.021828
"430443"	1142.838223	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+NH4"	18.033823
"798730"	1705.240423	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+NH4"	18.033823
"1691050"	580.436023	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+NH4"	18.033823
"339329"	571.9227495	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+H+NH4"	19.041099
"735032"	853.1238495	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+H+NH4"	19.041099
"1484478"	290.7216495	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H+NH4"	19.041099
"398783"	1147.793618	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+Na"	22.989218
"763058"	1710.195818	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+Na"	22.989218
"1613344"	585.391418	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Na"	22.989218
"325568"	574.400447	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+H+Na"	23.996494
"715801"	855.601547	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+H+Na"	23.996494
"1465247"	293.199347	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H+Na"	23.996494
"1060679"	195.80199	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2H+Na"	25.00377
"1259441"	595.435686	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+CH3OH+H"	33.033486
"378745"	1163.767558	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+K"	38.963158
"740469"	1726.169758	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+K"	38.963158
"1543986"	601.365358	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+K"	38.963158
"302255"	582.387417	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+H+K"	39.970434
"693219"	863.588517	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+H+K"	39.970434
"1451780"	301.186317	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H+K"	39.970434
"239288"	1166.838226	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+ACN+H"	42.033826
"1214545"	604.436026	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+ACN+H"	42.033826
"1204632"	302.721651	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+ACN+2H"	43.041102
"198597"	1169.77556	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+2Na-H"	44.97116
"638157"	1732.17776	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+2Na-H"	44.97116
"1146039"	607.37336	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2Na-H"	44.97116
"185688"	585.391418	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+2Na"	45.978436
"623424"	866.592518	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+2Na"	45.978436
"1126932"	304.190318	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2Na"	45.978436
"1412641"	203.129304	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H+2Na"	46.985712
"1442571"	609.414946	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H+HCOOH"	47.012746
"233364"	590.42444	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+3H2O+2H"	56.04448
"1518143"	623.46699	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+IsoProp+H"	61.06479
"418922"	593.378388	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+Na+K"	61.952376
"782104"	874.579488	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+Na+K"	61.952376
"1678075"	312.177288	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Na+K"	61.952376
"262767"	1188.820168	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+ACN+Na"	64.015768
"1236211"	626.417968	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+ACN+Na"	64.015768
"1723639"	626.441493	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+NH4+HCOOH"	64.039293
"1183162"	210.456618	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+3Na"	68.967654
"1653054"	631.396888	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Na+HCOOH"	68.994688
"160278"	1201.72344	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+2K-H"	76.91904
"606034"	1764.12564	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+2K-H"	76.91904
"1089454"	639.32124	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2K-H"	76.91904
"144083"	601.365358	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"2M+2K"	77.926316
"588014"	882.566458	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"3M+2K"	77.926316
"1069969"	320.164258	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2K"	77.926316
"1100751"	641.335792	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2K+H"	78.933592
"1337749"	641.423407	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+DMSO+H"	79.021207
"1007738"	645.462576	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2ACN+H"	83.060376
"1527689"	646.456208	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+IsoProp+Na+H"	84.054008
"999604"	323.234926	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+2ACN+2H"	84.067652
"1596296"	647.370828	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+K+HCOOH"	84.968628
"1426328"	677.402338	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+H+CF3COOH"	115.000138
"1153335"	343.748201	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+3ACN+2H"	125.094202
"1709447"	694.428885	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+NH4+CF3COOH"	132.026685
"1645099"	699.38428	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+Na+CF3COOH"	136.98208
"1586218"	715.35822	"C05200"	"3-Hexaprenyl-45-dihydroxybenzoate"	"C37H54O4"	"562.4022"	"M+K+CF3COOH"	152.95602
"815132"	223.1361	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M"	0
"987574"	204.11771	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-H2O-H"	-19.01839
"75815"	147.750124	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M-3H"	-3.021828
"515740"	222.128824	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M-3H"	-3.021828
"881515"	73.371424	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-3H"	-3.021828
"3370"	222.128824	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M-2H"	-2.014552
"441835"	333.696874	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M-2H"	-2.014552
"818543"	110.560774	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-2H"	-2.014552
"82181"	445.264924	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M-H"	-1.007276
"523565"	668.401024	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M-H"	-1.007276
"899544"	222.128824	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-H"	-1.007276
"48451"	462.291471	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M-2H+NH4"	16.019271
"489835"	685.427571	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M-2H+NH4"	16.019271
"869825"	239.155371	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-2H+NH4"	16.019271
"36634"	467.246866	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M-2H+Na"	20.974666
"480568"	690.382966	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M-2H+Na"	20.974666
"856182"	244.110766	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-2H+Na"	20.974666
"1628996"	244.110766	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Na-2H"	20.974666
"105526"	240.117163	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M-H+Cl"	33.962126
"538161"	351.685213	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M-H+Cl"	33.962126
"933134"	128.549113	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-H+Cl"	33.962126
"269138"	481.241602	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+Cl"	34.969402
"663382"	704.377702	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+Cl"	34.969402
"1276879"	258.105502	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Cl"	34.969402
"21259"	483.220806	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M-2H+K"	36.948606
"459729"	706.356906	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M-2H+K"	36.948606
"841909"	260.084706	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-2H+K"	36.948606
"1569408"	260.084706	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+K-2H"	36.948606
"954377"	268.134294	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-H+HCOOH"	44.998194
"369312"	491.270401	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+HCOOH-H"	44.998201
"358663"	505.286051	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+Hac-H"	59.013851
"1507135"	282.149951	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Hac-H"	59.013851
"973460"	290.116251	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-H+NaCOOH"	66.980151
"118480"	258.105502	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+2Cl"	69.938804
"559135"	369.673552	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+2Cl"	69.938804
"1025747"	146.537452	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2Cl"	69.938804
"1245326"	302.054985	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Br"	78.918885
"1305951"	304.110972	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Cl+HCOOH"	80.974872
"1330742"	326.092929	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Cl+NaCOOH"	102.956829
"920706"	336.121686	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M-H+CF3COOH"	112.985586
"1297414"	372.098364	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Cl+CF3COOH"	148.962264
"1380683"	188.123424	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H-2H2O"	-35.012676
"1395260"	206.1334	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H-H2O"	-17.0027
"296040"	447.279476	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+H"	1.007276
"689556"	670.415576	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+H"	1.007276
"1365422"	224.143376	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H"	1.007276
"139890"	224.143376	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+2H"	2.014552
"579095"	335.711426	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+2H"	2.014552
"1050082"	112.575326	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2H"	2.014552
"219684"	149.764676	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+3H"	3.021828
"659364"	224.143376	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+3H"	3.021828
"1173842"	75.385976	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+3H"	3.021828
"432740"	464.306023	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+NH4"	18.033823
"797382"	687.442123	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+NH4"	18.033823
"1691160"	241.169923	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+NH4"	18.033823
"340532"	232.6566495	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+H+NH4"	19.041099
"734048"	344.2246995	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+H+NH4"	19.041099
"1487868"	121.0885995	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H+NH4"	19.041099
"402173"	469.261418	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+Na"	22.989218
"763168"	692.397518	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+Na"	22.989218
"1613454"	246.125318	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Na"	22.989218
"323491"	235.134347	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+H+Na"	23.996494
"715911"	346.702397	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+H+Na"	23.996494
"1465358"	123.566297	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H+Na"	23.996494
"1058602"	82.71329	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2H+Na"	25.00377
"1259187"	256.169586	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+CH3OH+H"	33.033486
"377761"	485.235358	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+K"	38.963158
"740215"	708.371458	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+K"	38.963158
"1542638"	262.099258	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+K"	38.963158
"302729"	243.121317	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+H+K"	39.970434
"694788"	354.689367	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+H+K"	39.970434
"1452983"	131.553267	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H+K"	39.970434
"239398"	488.306026	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+ACN+H"	42.033826
"1214294"	265.169926	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+ACN+H"	42.033826
"1201461"	133.088601	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+ACN+2H"	43.041102
"199800"	491.24336	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+2Na-H"	44.97116
"642036"	714.37946	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+2Na-H"	44.97116
"1143962"	268.10726	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2Na-H"	44.97116
"187256"	246.125318	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+2Na"	45.978436
"623533"	357.693368	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+2Na"	45.978436
"1123758"	134.557268	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2Na"	45.978436
"1411537"	90.040604	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H+2Na"	46.985712
"1439402"	270.148846	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H+HCOOH"	47.012746
"230191"	251.15834	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+3H2O+2H"	56.04448
"1518254"	284.20089	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+IsoProp+H"	61.06479
"420124"	254.112288	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+Na+K"	61.952376
"783307"	365.680338	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+Na+K"	61.952376
"1679642"	142.544238	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Na+K"	61.952376
"262520"	510.287968	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+ACN+Na"	64.015768
"1234499"	287.151868	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+ACN+Na"	64.015768
"1723384"	287.175393	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+NH4+HCOOH"	64.039293
"1189101"	97.367918	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+3Na"	68.967654
"1656443"	292.130788	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Na+HCOOH"	68.994688
"164399"	523.19124	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+2K-H"	76.91904
"601770"	746.32734	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+2K-H"	76.91904
"1084944"	300.05514	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2K-H"	76.91904
"147474"	262.099258	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"2M+2K"	77.926316
"583144"	373.667308	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"3M+2K"	77.926316
"1071549"	150.531208	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2K"	77.926316
"1101842"	302.069692	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2K+H"	78.933592
"1337861"	302.157307	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+DMSO+H"	79.021207
"1007122"	306.196476	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2ACN+H"	83.060376
"1532175"	307.190108	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+IsoProp+Na+H"	84.054008
"994248"	153.601876	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+2ACN+2H"	84.067652
"1597498"	308.104728	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+K+HCOOH"	84.968628
"1422065"	338.136238	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+H+CF3COOH"	115.000138
"1161100"	174.115151	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+3ACN+2H"	125.094202
"1710286"	355.162785	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+NH4+CF3COOH"	132.026685
"1639742"	360.11818	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+Na+CF3COOH"	136.98208
"1586328"	376.09212	"C05201"	"(RS)-Tetrahydrobenzylisoquinoline;(RS)-1-Benzyl-1234-tetrahydroisoquinoline"	"C16H17N"	"223.1361"	"M+K+CF3COOH"	152.95602
"816335"	315.1471	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M"	0
"989384"	296.12871	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"76290"	209.090790666667	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"508198"	314.139824	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"881624"	104.041757333333	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"1293"	314.139824	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"440485"	471.713374	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"820841"	156.566274	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"81197"	629.286924	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"521852"	944.434024	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"899290"	314.139824	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"48681"	646.313471	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"487795"	961.460571	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"868841"	331.166371	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"35648"	651.268866	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"480678"	966.415966	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"855199"	336.121766	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1629106"	336.121766	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"104542"	332.128163	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"539730"	489.701713	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"931423"	174.554613	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"268884"	665.263602	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"663126"	980.410702	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1277353"	350.116502	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"21369"	667.242806	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"459839"	982.389906	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"842018"	352.095706	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1568063"	352.095706	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"954487"	360.145294	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"371609"	675.292401	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"356587"	689.308051	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1507244"	374.160951	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"971869"	382.127251	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"117497"	350.116502	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"558153"	507.690052	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1024764"	192.542952	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1247623"	394.065985	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1305008"	396.121972	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1322099"	418.103929	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"917535"	428.132686	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1292420"	464.109364	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1371311"	280.134424	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1389901"	298.1444	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"293963"	631.301476	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"689788"	946.448576	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1366260"	316.154376	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"139272"	316.154376	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"578840"	473.727926	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1050799"	158.580826	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"219511"	211.105342666667	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"658504"	316.154376	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1173588"	106.056309333333	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"432850"	648.328023	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"796033"	963.475123	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1691270"	333.180923	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"340643"	324.6676495	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"731971"	482.2411995	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1489072"	167.0940995	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"403377"	653.283418	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"767654"	968.430518	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1612472"	338.136318	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"317042"	327.145347	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"713836"	484.718897	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1466563"	169.571797	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1055433"	113.383623333333	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1259297"	348.180586	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"378966"	669.257358	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"739596"	984.404458	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1540561"	354.110258	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"299194"	335.132317	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"694898"	492.705867	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1453093"	177.558767	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"239508"	672.328026	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1213312"	357.180926	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1203759"	179.094101	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"199910"	675.26536	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"641659"	990.41246	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1144074"	360.11826	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"182989"	338.136318	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"622550"	495.709868	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1123868"	180.562768	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1409580"	120.710937333333	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1439511"	362.159846	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"229207"	343.16934	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1519457"	376.21189	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"419139"	346.123288	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"780136"	503.696838	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1676468"	188.549738	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"262992"	694.309968	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1234608"	379.162868	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1720213"	379.186393	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1186294"	128.038251333333	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1657648"	384.141788	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"161226"	707.21324	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"601881"	1022.36034	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1087488"	392.06614	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"146491"	354.110258	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"582282"	511.683808	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1070566"	196.536708	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1101589"	394.080692	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1336878"	394.168307	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1014158"	398.207476	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1532285"	399.201108	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"993265"	199.607376	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1597608"	400.115728	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1423269"	430.147238	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1157930"	220.120651	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1709667"	447.173785	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1639852"	452.12918	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1586438"	468.10312	"C05202"	"3-Hydroxy-N-methyl-(S)-coclaurine;(S)-3-Hydroxy-N-methylcoclaurine"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"816402"	301.1314	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M"	0
"989886"	282.11301	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"78306"	199.746990666667	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"518147"	300.124124	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"895343"	99.3698573333333	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"6871"	300.124124	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"447525"	450.689824	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"825326"	149.558424	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"83495"	601.255524	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"523785"	902.386924	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"896602"	300.124124	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"48178"	618.282071	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"487864"	919.413471	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"870045"	317.150671	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"34665"	623.237466	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"475319"	924.368866	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"853122"	322.106066	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1627029"	322.106066	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"103558"	318.112463	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"544214"	468.678163	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"939916"	167.546763	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"269725"	637.232202	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"662512"	938.363602	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1282204"	336.100802	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"22573"	639.211406	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"462136"	940.342806	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"846501"	338.080006	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1569265"	338.080006	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"956787"	346.129594	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"373907"	647.261001	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"355602"	661.276651	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1507358"	360.145251	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"973686"	368.111551	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"125142"	336.100802	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"561543"	486.666502	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1033621"	185.535102	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1252107"	380.050285	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1312368"	382.106272	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1327676"	404.088229	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"920926"	414.116986	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1299821"	450.093664	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1374701"	266.118724	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1391104"	284.1287	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"297605"	603.270076	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"689782"	904.401476	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1365768"	302.138676	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"140841"	302.138676	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"580156"	452.704376	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1051517"	151.572976	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"218934"	201.761542666667	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"658980"	302.138676	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1174062"	101.384409333333	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"437334"	620.296623	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"795049"	921.428023	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1692474"	319.165223	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"343305"	310.6519495	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"734268"	461.2176495	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1489914"	160.0862495	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"406040"	625.252018	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"768008"	926.383418	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1616228"	324.120618	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"325900"	313.129647	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"719050"	463.695347	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1472871"	162.563947	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1062107"	108.711723333333	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1268157"	334.164886	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"385639"	641.225958	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"746633"	942.357358	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1542493"	340.094558	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"301127"	321.116617	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"695008"	471.682317	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1454297"	170.550917	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"241805"	644.296626	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1213423"	343.165226	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1203869"	172.086251	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"197834"	647.23396	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"631927"	948.36536	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1141994"	346.10256	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"184193"	324.120618	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"625938"	474.686318	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1127258"	173.554918	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1410783"	116.039037333333	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1443510"	348.144146	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"234300"	329.15364	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1519565"	362.19619	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"421441"	332.107588	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"781340"	482.673288	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1676577"	181.541888	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"265288"	666.278568	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1235812"	365.147168	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1723601"	365.170693	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1186767"	123.366351333333	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1659946"	370.126088	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"164615"	679.18184	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"604178"	980.31324	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1091972"	378.05044	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"147694"	340.094558	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"587253"	490.660258	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1070674"	189.528858	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1104977"	380.064992	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1341362"	380.152607	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1014268"	384.191776	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1530208"	385.185408	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"994468"	192.599526	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1595531"	386.100028	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1424472"	416.131538	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1158040"	213.112801	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1710870"	433.158085	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1639962"	438.11348	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1586548"	454.08742	"C05203"	"6-O-Methylnorlaudanosoline"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"816558"	235.1361	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M"	0
"988265"	216.11771	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-H2O-H"	-19.01839
"74322"	155.750124	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M-3H"	-3.021828
"511696"	234.128824	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M-3H"	-3.021828
"892778"	77.371424	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-3H"	-3.021828
"5887"	234.128824	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M-2H"	-2.014552
"445448"	351.696874	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M-2H"	-2.014552
"820332"	116.560774	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-2H"	-2.014552
"83240"	469.264924	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M-H"	-1.007276
"521342"	704.401024	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M-H"	-1.007276
"898781"	234.128824	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-H"	-1.007276
"50606"	486.291471	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M-2H+NH4"	16.019271
"488093"	721.427571	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M-2H+NH4"	16.019271
"864923"	251.155371	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-2H+NH4"	16.019271
"35868"	491.246866	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M-2H+Na"	20.974666
"475429"	726.382966	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M-2H+Na"	20.974666
"853232"	256.110766	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-2H+Na"	20.974666
"1626046"	256.110766	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Na-2H"	20.974666
"105855"	252.117163	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M-H+Cl"	33.962126
"546512"	369.685213	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M-H+Cl"	33.962126
"940026"	134.549113	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-H+Cl"	33.962126
"274210"	505.241602	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+Cl"	34.969402
"667726"	740.377702	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+Cl"	34.969402
"1284503"	270.105502	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Cl"	34.969402
"24872"	507.220806	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M-2H+K"	36.948606
"468807"	742.356906	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M-2H+K"	36.948606
"845883"	272.084706	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-2H+K"	36.948606
"1566823"	272.084706	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+K-2H"	36.948606
"955804"	280.134294	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-H+HCOOH"	44.998194
"371830"	515.270401	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+HCOOH-H"	44.998201
"356443"	529.286051	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+Hac-H"	59.013851
"1508032"	294.149951	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Hac-H"	59.013851
"974178"	302.116251	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-H+NaCOOH"	66.980151
"125010"	270.105502	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+2Cl"	69.938804
"561652"	387.673552	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+2Cl"	69.938804
"1031544"	152.537452	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2Cl"	69.938804
"1254404"	314.054985	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Br"	78.918885
"1309197"	316.110972	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Cl+HCOOH"	80.974872
"1331066"	338.092929	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Cl+NaCOOH"	102.956829
"923223"	348.121686	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M-H+CF3COOH"	112.985586
"1298837"	384.098364	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Cl+CF3COOH"	148.962264
"1374811"	200.123424	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H-2H2O"	-35.012676
"1391214"	218.1334	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H-H2O"	-17.0027
"297470"	471.279476	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+H"	1.007276
"689890"	706.415576	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+H"	1.007276
"1366902"	236.143376	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H"	1.007276
"140219"	236.143376	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+2H"	2.014552
"574312"	353.711426	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+2H"	2.014552
"1051384"	118.575326	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2H"	2.014552
"218673"	157.764676	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+3H"	3.021828
"659211"	236.143376	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+3H"	3.021828
"1174172"	79.385976	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+3H"	3.021828
"437810"	488.306023	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+NH4"	18.033823
"796253"	723.442123	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+NH4"	18.033823
"1695501"	253.169923	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+NH4"	18.033823
"340863"	244.6566495	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+H+NH4"	19.041099
"735837"	362.2246995	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+H+NH4"	19.041099
"1491116"	127.0885995	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H+NH4"	19.041099
"406515"	493.261418	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+Na"	22.989218
"767878"	728.397518	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+Na"	22.989218
"1615974"	258.125318	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Na"	22.989218
"326011"	247.134347	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+H+Na"	23.996494
"719525"	364.702397	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+H+Na"	23.996494
"1471159"	129.566297	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H+Na"	23.996494
"1062217"	86.71329	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2H+Na"	25.00377
"1264988"	268.169586	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+CH3OH+H"	33.033486
"382467"	509.235358	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+K"	38.963158
"746744"	744.371458	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+K"	38.963158
"1545520"	274.099258	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+K"	38.963158
"301237"	255.121317	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+H+K"	39.970434
"695118"	372.689367	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+H+K"	39.970434
"1451126"	137.553267	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H+K"	39.970434
"241915"	512.306026	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+ACN+H"	42.033826
"1215720"	277.169926	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+ACN+H"	42.033826
"1203979"	139.088601	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+ACN+2H"	43.041102
"200130"	515.24336	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+2Na-H"	44.97116
"640785"	750.37946	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+2Na-H"	44.97116
"1139917"	280.10726	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2Na-H"	44.97116
"185641"	258.125318	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+2Na"	45.978436
"627146"	375.693368	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+2Na"	45.978436
"1125182"	140.557268	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2Na"	45.978436
"1410893"	94.040604	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H+2Na"	46.985712
"1443377"	282.148846	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H+HCOOH"	47.012746
"230521"	263.15834	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+3H2O+2H"	56.04448
"1518582"	296.20089	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+IsoProp+H"	61.06479
"419362"	266.112288	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+Na+K"	61.952376
"783637"	383.680338	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+Na+K"	61.952376
"1677781"	148.544238	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Na+K"	61.952376
"265398"	534.287968	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+ACN+Na"	64.015768
"1235194"	299.151868	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+ACN+Na"	64.015768
"1721524"	299.175393	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+NH4+HCOOH"	64.039293
"1186877"	101.367918	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+3Na"	68.967654
"1660056"	304.130788	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Na+HCOOH"	68.994688
"163632"	547.19124	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+2K-H"	76.91904
"604288"	782.32734	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+2K-H"	76.91904
"1093176"	312.05514	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2K-H"	76.91904
"147805"	274.099258	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"2M+2K"	77.926316
"582259"	391.667308	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"3M+2K"	77.926316
"1076253"	156.531208	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2K"	77.926316
"1106181"	314.069692	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2K+H"	78.933592
"1340379"	314.157307	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+DMSO+H"	79.021207
"1014378"	318.196476	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2ACN+H"	83.060376
"1532505"	319.190108	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+IsoProp+Na+H"	84.054008
"995672"	159.601876	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+2ACN+2H"	84.067652
"1593454"	320.104728	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+K+HCOOH"	84.968628
"1424582"	350.136238	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+H+CF3COOH"	115.000138
"1158150"	180.115151	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+3ACN+2H"	125.094202
"1708794"	367.162785	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+NH4+CF3COOH"	132.026685
"1638979"	372.11818	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+Na+CF3COOH"	136.98208
"1586658"	388.09212	"C05204"	"(S)-Tetrahydroprotoberberine;(S)-781314-Tetrahydroprotoberberine"	"C17H17N"	"235.1361"	"M+K+CF3COOH"	152.95602
"810472"	329.1627	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M"	0
"979631"	310.14431	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-H2O-H"	-19.01839
"66051"	218.434524	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M-3H"	-3.021828
"503176"	328.155424	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M-3H"	-3.021828
"880863"	108.713624	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-3H"	-3.021828
"1260"	328.155424	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M-2H"	-2.014552
"440937"	492.736774	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M-2H"	-2.014552
"817640"	163.574074	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-2H"	-2.014552
"79212"	657.318124	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M-H"	-1.007276
"524009"	986.480824	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M-H"	-1.007276
"901082"	328.155424	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-H"	-1.007276
"53635"	674.344671	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M-2H+NH4"	16.019271
"492830"	1003.507371	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M-2H+NH4"	16.019271
"875740"	345.181971	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-2H+NH4"	16.019271
"40361"	679.300066	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M-2H+Na"	20.974666
"483199"	1008.462766	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M-2H+Na"	20.974666
"862828"	350.137366	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-2H+Na"	20.974666
"1632727"	350.137366	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Na-2H"	20.974666
"103791"	346.143763	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M-H+Cl"	33.962126
"547727"	510.725113	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M-H+Cl"	33.962126
"941121"	181.562413	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-H+Cl"	33.962126
"282397"	693.294802	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+Cl"	34.969402
"673803"	1022.457502	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+Cl"	34.969402
"1287300"	364.132102	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Cl"	34.969402
"30790"	695.274006	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M-2H+K"	36.948606
"470395"	1024.436706	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M-2H+K"	36.948606
"847710"	366.111306	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-2H+K"	36.948606
"1564754"	366.111306	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+K-2H"	36.948606
"957010"	374.160894	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-H+HCOOH"	44.998194
"374497"	703.323601	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+HCOOH-H"	44.998201
"350361"	717.339251	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+Hac-H"	59.013851
"1507095"	388.176551	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Hac-H"	59.013851
"963456"	396.142851	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-H+NaCOOH"	66.980151
"115644"	364.132102	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+2Cl"	69.938804
"561768"	528.713452	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+2Cl"	69.938804
"1034578"	199.550752	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2Cl"	69.938804
"1255987"	408.081585	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Br"	78.918885
"1318795"	410.137572	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Cl+HCOOH"	80.974872
"1333011"	432.119529	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Cl+NaCOOH"	102.956829
"924799"	442.148286	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M-H+CF3COOH"	112.985586
"1302481"	478.124964	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Cl+CF3COOH"	148.962264
"1380766"	294.150024	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H-2H2O"	-35.012676
"1397787"	312.16	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H-H2O"	-17.0027
"296866"	659.332676	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+H"	1.007276
"690745"	988.495376	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+H"	1.007276
"1365273"	330.169976	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H"	1.007276
"140350"	330.169976	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+2H"	2.014552
"580272"	494.751326	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+2H"	2.014552
"1051620"	165.588626	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2H"	2.014552
"216237"	220.449076	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+3H"	3.021828
"656892"	330.169976	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+3H"	3.021828
"1175381"	110.728176	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+3H"	3.021828
"439019"	676.359223	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+NH4"	18.033823
"798552"	1005.521923	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+NH4"	18.033823
"1691603"	347.196523	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+NH4"	18.033823
"340974"	338.6832495	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+H+NH4"	19.041099
"735949"	503.2645995	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+H+NH4"	19.041099
"1491592"	174.1018995	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H+NH4"	19.041099
"401521"	681.314618	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+Na"	22.989218
"764708"	1010.477318	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+Na"	22.989218
"1616826"	352.151918	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Na"	22.989218
"327588"	341.160947	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+H+Na"	23.996494
"711990"	505.742297	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+H+Na"	23.996494
"1470184"	176.579597	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H+Na"	23.996494
"1057960"	118.05549	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2H+Na"	25.00377
"1265836"	362.196186	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+CH3OH+H"	33.033486
"382590"	697.288558	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+K"	38.963158
"746867"	1026.451258	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+K"	38.963158
"1551108"	368.125858	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+K"	38.963158
"308284"	349.147917	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+H+K"	39.970434
"699612"	513.729267	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+H+K"	39.970434
"1453432"	184.566567	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H+K"	39.970434
"244219"	700.359226	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+ACN+H"	42.033826
"1218022"	371.196526	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+ACN+H"	42.033826
"1202998"	186.101901	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+ACN+2H"	43.041102
"201337"	703.29656	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+2Na-H"	44.97116
"641992"	1032.45926	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+2Na-H"	44.97116
"1143311"	374.13386	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2Na-H"	44.97116
"184416"	352.151918	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+2Na"	45.978436
"617413"	516.733268	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+2Na"	45.978436
"1127482"	187.570568	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2Na"	45.978436
"1412099"	125.382804	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H+2Na"	46.985712
"1438747"	376.175446	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H+HCOOH"	47.012746
"228444"	357.18494	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+3H2O+2H"	56.04448
"1520881"	390.22749	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+IsoProp+H"	61.06479
"419477"	360.138888	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+Na+K"	61.952376
"780473"	524.720238	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+Na+K"	61.952376
"1672429"	195.557538	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Na+K"	61.952376
"253117"	722.341168	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+ACN+Na"	64.015768
"1227646"	393.178468	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+ACN+Na"	64.015768
"1715075"	393.201993	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+NH4+HCOOH"	64.039293
"1185901"	132.710118	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+3Na"	68.967654
"1653607"	398.157388	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Na+HCOOH"	68.994688
"164841"	735.24444	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+2K-H"	76.91904
"604401"	1064.40714	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+2K-H"	76.91904
"1092195"	406.08174	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2K-H"	76.91904
"149011"	368.125858	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"2M+2K"	77.926316
"586385"	532.707208	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"3M+2K"	77.926316
"1071991"	203.544508	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2K"	77.926316
"1103011"	408.096292	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2K+H"	78.933592
"1338301"	408.183907	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+DMSO+H"	79.021207
"1010116"	412.223076	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2ACN+H"	83.060376
"1539424"	413.216708	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+IsoProp+Na+H"	84.054008
"1003441"	206.615176	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+2ACN+2H"	84.067652
"1601953"	414.131328	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+K+HCOOH"	84.968628
"1423603"	444.162838	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+H+CF3COOH"	115.000138
"1160455"	227.128451	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+3ACN+2H"	125.094202
"1706727"	461.189385	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+NH4+CF3COOH"	132.026685
"1647845"	466.14478	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+Na+CF3COOH"	136.98208
"1586778"	482.11872	"C05220"	"Salutaridinol;56814-Tetradehydro-36-dimethoxy-17-methyl-morphinan-47-diol"	"C19H23NO4"	"329.1627"	"M+K+CF3COOH"	152.95602
"807305"	342.1467	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M"	0
"977921"	323.12831	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-H2O-H"	-19.01839
"63971"	227.090524	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M-3H"	-3.021828
"503893"	341.139424	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M-3H"	-3.021828
"880359"	113.041624	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-3H"	-3.021828
"1000"	341.139424	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M-2H"	-2.014552
"444580"	512.212774	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M-2H"	-2.014552
"830039"	170.066074	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-2H"	-2.014552
"88937"	683.286124	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M-H"	-1.007276
"533974"	1025.432824	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M-H"	-1.007276
"903018"	341.139424	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-H"	-1.007276
"51927"	700.312671	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M-2H+NH4"	16.019271
"491485"	1042.459371	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M-2H+NH4"	16.019271
"879872"	358.165971	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-2H+NH4"	16.019271
"45953"	705.268066	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M-2H+Na"	20.974666
"485388"	1047.414766	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M-2H+Na"	20.974666
"862947"	363.121366	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-2H+Na"	20.974666
"1633330"	363.121366	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Na-2H"	20.974666
"104996"	359.127763	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M-H+Cl"	33.962126
"549542"	530.201113	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M-H+Cl"	33.962126
"940989"	188.054413	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-H+Cl"	33.962126
"281860"	719.262802	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+Cl"	34.969402
"672344"	1061.409502	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+Cl"	34.969402
"1287055"	377.116102	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Cl"	34.969402
"31188"	721.242006	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M-2H+K"	36.948606
"470663"	1063.388706	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M-2H+K"	36.948606
"847213"	379.095306	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-2H+K"	36.948606
"1567058"	379.095306	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+K-2H"	36.948606
"957492"	387.144894	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-H+HCOOH"	44.998194
"376562"	729.291601	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+HCOOH-H"	44.998201
"360444"	743.307251	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+Hac-H"	59.013851
"1508185"	401.160551	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Hac-H"	59.013851
"973416"	409.126851	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-H+NaCOOH"	66.980151
"120135"	377.116102	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+2Cl"	69.938804
"564069"	548.189452	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+2Cl"	69.938804
"1034333"	206.042752	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2Cl"	69.938804
"1254634"	421.065585	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Br"	78.918885
"1318185"	423.121572	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Cl+HCOOH"	80.974872
"1335480"	445.103529	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Cl+NaCOOH"	102.956829
"926875"	455.132286	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M-H+CF3COOH"	112.985586
"1304099"	491.108964	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Cl+CF3COOH"	148.962264
"1382676"	307.134024	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H-2H2O"	-35.012676
"1398059"	325.144	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H-H2O"	-17.0027
"297989"	685.300676	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+H"	1.007276
"691017"	1027.447376	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+H"	1.007276
"1365382"	343.153976	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H"	1.007276
"138269"	343.153976	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+2H"	2.014552
"580264"	514.227326	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+2H"	2.014552
"1051367"	172.080626	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2H"	2.014552
"219147"	229.105076	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+3H"	3.021828
"658097"	343.153976	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+3H"	3.021828
"1177317"	115.056176	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+3H"	3.021828
"437670"	702.327223	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+NH4"	18.033823
"797571"	1044.473923	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+NH4"	18.033823
"1693908"	360.180523	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+NH4"	18.033823
"333797"	351.6672495	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+H+NH4"	19.041099
"733513"	522.7405995	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+H+NH4"	19.041099
"1490254"	180.5938995	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H+NH4"	19.041099
"408495"	707.282618	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+Na"	22.989218
"768106"	1049.429318	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+Na"	22.989218
"1618068"	365.135918	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Na"	22.989218
"329963"	354.144947	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+H+Na"	23.996494
"715380"	525.218297	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+H+Na"	23.996494
"1471389"	183.071597	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H+Na"	23.996494
"1067554"	122.38349	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2H+Na"	25.00377
"1272030"	375.180186	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+CH3OH+H"	33.033486
"391210"	723.256558	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+K"	38.963158
"750267"	1065.403258	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+K"	38.963158
"1554507"	381.109858	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+K"	38.963158
"310586"	362.131917	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+H+K"	39.970434
"703005"	533.205267	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+H+K"	39.970434
"1454636"	191.058567	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H+K"	39.970434
"246519"	726.327226	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+ACN+H"	42.033826
"1222509"	384.180526	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+ACN+H"	42.033826
"1209679"	192.593901	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+ACN+2H"	43.041102
"200358"	729.26456	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+2Na-H"	44.97116
"642105"	1071.41126	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+2Na-H"	44.97116
"1145979"	387.11786	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2Na-H"	44.97116
"185618"	365.135918	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+2Na"	45.978436
"620074"	536.209268	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+2Na"	45.978436
"1124314"	194.062568	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2Na"	45.978436
"1412215"	129.710804	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H+2Na"	46.985712
"1443238"	389.159446	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H+HCOOH"	47.012746
"230745"	370.16894	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+3H2O+2H"	56.04448
"1519901"	403.21149	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+IsoProp+H"	61.06479
"421777"	373.122888	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+Na+K"	61.952376
"776210"	544.196238	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+Na+K"	61.952376
"1675823"	202.049538	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Na+K"	61.952376
"252864"	748.309168	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+ACN+Na"	64.015768
"1240522"	406.162468	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+ACN+Na"	64.015768
"1723939"	406.185993	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+NH4+HCOOH"	64.039293
"1186011"	137.038118	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+3Na"	68.967654
"1654811"	411.141388	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Na+HCOOH"	68.994688
"163858"	761.21244	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+2K-H"	76.91904
"605607"	1103.35914	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+2K-H"	76.91904
"1093400"	419.06574	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2K-H"	76.91904
"145843"	381.109858	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"2M+2K"	77.926316
"587589"	552.183208	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"3M+2K"	77.926316
"1083048"	210.036508	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2K"	77.926316
"1112974"	421.080292	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2K+H"	78.933592
"1350088"	421.167907	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+DMSO+H"	79.021207
"1020199"	425.207076	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2ACN+H"	83.060376
"1538808"	426.200708	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+IsoProp+Na+H"	84.054008
"1001372"	213.107176	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+2ACN+2H"	84.067652
"1601707"	427.115328	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+K+HCOOH"	84.968628
"1428097"	457.146838	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+H+CF3COOH"	115.000138
"1162397"	233.620451	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+3ACN+2H"	125.094202
"1710124"	474.173385	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+NH4+CF3COOH"	132.026685
"1648692"	479.12878	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+Na+CF3COOH"	136.98208
"1586891"	495.10272	"C05229"	"Phaseollidin hydrate"	"C20H22O5"	"342.1467"	"M+K+CF3COOH"	152.95602
"807415"	324.1362	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M"	0
"974380"	305.11781	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-H2O-H"	-19.01839
"62898"	215.083524	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M-3H"	-3.021828
"502854"	323.128924	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M-3H"	-3.021828
"879935"	107.038124	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-3H"	-3.021828
"43"	323.128924	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M-2H"	-2.014552
"444690"	485.197024	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M-2H"	-2.014552
"821398"	161.060824	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-2H"	-2.014552
"81387"	647.265124	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M-H"	-1.007276
"522408"	971.401324	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M-H"	-1.007276
"899848"	323.128924	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-H"	-1.007276
"52037"	664.291671	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M-2H+NH4"	16.019271
"491595"	988.427871	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M-2H+NH4"	16.019271
"879666"	340.155471	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-2H+NH4"	16.019271
"47113"	669.247066	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M-2H+Na"	20.974666
"481242"	993.383266	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M-2H+Na"	20.974666
"859044"	345.110866	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-2H+Na"	20.974666
"1632587"	345.110866	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Na-2H"	20.974666
"108386"	341.117263	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M-H+Cl"	33.962126
"549821"	503.185363	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M-H+Cl"	33.962126
"942071"	179.049163	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-H+Cl"	33.962126
"282091"	683.241802	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+Cl"	34.969402
"673550"	1007.378002	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+Cl"	34.969402
"1286800"	359.105602	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Cl"	34.969402
"31422"	685.221006	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M-2H+K"	36.948606
"470981"	1009.357206	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M-2H+K"	36.948606
"848415"	361.084806	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-2H+K"	36.948606
"1567897"	361.084806	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+K-2H"	36.948606
"957601"	369.134394	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-H+HCOOH"	44.998194
"373630"	693.270601	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+HCOOH-H"	44.998201
"361206"	707.286251	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+Hac-H"	59.013851
"1508297"	383.150051	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Hac-H"	59.013851
"973812"	391.116351	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-H+NaCOOH"	66.980151
"124744"	359.105602	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+2Cl"	69.938804
"564993"	521.173702	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+2Cl"	69.938804
"1034808"	197.037502	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2Cl"	69.938804
"1255109"	403.055085	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Br"	78.918885
"1318656"	405.111072	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Cl+HCOOH"	80.974872
"1333976"	427.093029	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Cl+NaCOOH"	102.956829
"926698"	437.121786	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M-H+CF3COOH"	112.985586
"1302472"	473.098464	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Cl+CF3COOH"	148.962264
"1382415"	289.123524	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H-2H2O"	-35.012676
"1398048"	307.1335	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H-H2O"	-17.0027
"296720"	649.279676	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+H"	1.007276
"689506"	973.415876	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+H"	1.007276
"1366221"	325.143476	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H"	1.007276
"139473"	325.143476	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+2H"	2.014552
"578673"	487.211576	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+2H"	2.014552
"1050385"	163.075376	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2H"	2.014552
"218650"	217.098076	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+3H"	3.021828
"656749"	325.143476	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+3H"	3.021828
"1177791"	109.052676	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+3H"	3.021828
"436688"	666.306223	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+NH4"	18.033823
"797683"	990.442423	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+NH4"	18.033823
"1694746"	342.170023	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+NH4"	18.033823
"334637"	333.6567495	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+H+NH4"	19.041099
"734716"	495.7248495	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+H+NH4"	19.041099
"1492560"	171.5886495	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H+NH4"	19.041099
"408440"	671.261618	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+Na"	22.989218
"766758"	995.397818	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+Na"	22.989218
"1617041"	347.125418	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Na"	22.989218
"328415"	336.134447	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+H+Na"	23.996494
"714396"	498.202547	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+H+Na"	23.996494
"1471499"	174.066347	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H+Na"	23.996494
"1066933"	116.37999	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2H+Na"	25.00377
"1272266"	357.169686	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+CH3OH+H"	33.033486
"392131"	687.235558	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+K"	38.963158
"753662"	1011.371758	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+K"	38.963158
"1554981"	363.099358	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+K"	38.963158
"312882"	344.121417	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+H+K"	39.970434
"703115"	506.189517	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+H+K"	39.970434
"1453652"	182.053317	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H+K"	39.970434
"242255"	690.306226	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+ACN+H"	42.033826
"1217152"	366.170026	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+ACN+H"	42.033826
"1205411"	183.588651	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+ACN+2H"	43.041102
"198281"	693.24356	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+2Na-H"	44.97116
"640027"	1017.37976	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+2Na-H"	44.97116
"1145721"	369.10736	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2Na-H"	44.97116
"184635"	347.125418	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+2Na"	45.978436
"622007"	509.193518	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+2Na"	45.978436
"1123331"	185.057318	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2Na"	45.978436
"1412325"	123.707304	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H+2Na"	46.985712
"1444810"	371.148946	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H+HCOOH"	47.012746
"229762"	352.15844	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+3H2O+2H"	56.04448
"1517824"	385.20099	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+IsoProp+H"	61.06479
"422981"	355.112388	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+Na+K"	61.952376
"775227"	517.180488	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+Na+K"	61.952376
"1675933"	193.044288	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Na+K"	61.952376
"255890"	712.288168	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+ACN+Na"	64.015768
"1240956"	388.151968	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+ACN+Na"	64.015768
"1724049"	388.175493	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+NH4+HCOOH"	64.039293
"1187214"	131.034618	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+3Na"	68.967654
"1654192"	393.130888	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Na+HCOOH"	68.994688
"163968"	725.19144	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+2K-H"	76.91904
"606810"	1049.32764	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+2K-H"	76.91904
"1093510"	401.05524	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2K-H"	76.91904
"149233"	363.099358	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"2M+2K"	77.926316
"587699"	525.167458	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"3M+2K"	77.926316
"1083977"	201.031258	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2K"	77.926316
"1113084"	403.069792	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2K+H"	78.933592
"1351176"	403.157407	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+DMSO+H"	79.021207
"1021203"	407.196576	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2ACN+H"	83.060376
"1539407"	408.190208	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+IsoProp+Na+H"	84.054008
"1005130"	204.101926	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+2ACN+2H"	84.067652
"1601453"	409.104828	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+K+HCOOH"	84.968628
"1428207"	439.136338	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+H+CF3COOH"	115.000138
"1162471"	224.615201	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+3ACN+2H"	125.094202
"1710234"	456.162885	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+NH4+CF3COOH"	132.026685
"1649778"	461.11828	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+Na+CF3COOH"	136.98208
"1587001"	477.09222	"C05230"	"Phaseollidin;(-)-Phaseollidin"	"C20H20O4"	"324.1362"	"M+K+CF3COOH"	152.95602
"804247"	852.168	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M"	0
"977778"	833.14961	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H2O-H"	-19.01839
"63466"	567.104724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-3H"	-3.021828
"504112"	851.160724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-3H"	-3.021828
"880823"	283.048724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-3H"	-3.021828
"2315"	851.160724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H"	-2.014552
"444800"	1277.244724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H"	-2.014552
"818591"	425.076724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H"	-2.014552
"80404"	1703.328724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-H"	-1.007276
"523249"	2555.496724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-H"	-1.007276
"897768"	851.160724	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H"	-1.007276
"52146"	1720.355271	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+NH4"	16.019271
"494988"	2572.523271	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+NH4"	16.019271
"876800"	868.187271	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+NH4"	16.019271
"46041"	1725.310666	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+Na"	20.974666
"478070"	2577.478666	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+Na"	20.974666
"855873"	873.142666	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+Na"	20.974666
"1628685"	873.142666	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na-2H"	20.974666
"105213"	869.149063	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-H+Cl"	33.962126
"546961"	1295.233063	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-H+Cl"	33.962126
"938290"	443.065063	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+Cl"	33.962126
"281958"	1739.305402	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Cl"	34.969402
"674873"	2591.473402	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Cl"	34.969402
"1287958"	887.137402	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl"	34.969402
"31378"	1741.284606	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M-2H+K"	36.948606
"470720"	2593.452606	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M-2H+K"	36.948606
"846335"	889.116606	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-2H+K"	36.948606
"1569462"	889.116606	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K-2H"	36.948606
"953699"	897.166194	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+HCOOH"	44.998194
"368997"	1749.334201	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+HCOOH-H"	44.998201
"355067"	1763.349851	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Hac-H"	59.013851
"1507919"	911.181851	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Hac-H"	59.013851
"974081"	919.148151	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+NaCOOH"	66.980151
"125099"	887.137402	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Cl"	69.938804
"564175"	1313.221402	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Cl"	69.938804
"1036993"	461.053402	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Cl"	69.938804
"1254853"	931.086885	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Br"	78.918885
"1316207"	933.142872	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+HCOOH"	80.974872
"1335418"	955.124829	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+NaCOOH"	102.956829
"924770"	965.153586	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M-H+CF3COOH"	112.985586
"1303302"	1001.130264	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Cl+CF3COOH"	148.962264
"1382677"	817.155324	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H-2H2O"	-35.012676
"1398357"	835.1653	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H-H2O"	-17.0027
"298515"	1705.343276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H"	1.007276
"691038"	2557.511276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H"	1.007276
"1367029"	853.175276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H"	1.007276
"138118"	853.175276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2H"	2.014552
"579139"	1279.259276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2H"	2.014552
"1048666"	427.091276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2H"	2.014552
"211461"	569.119276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+3H"	3.021828
"648833"	853.175276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+3H"	3.021828
"1174612"	285.063276	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3H"	3.021828
"433510"	1722.369823	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+NH4"	18.033823
"792319"	2574.537823	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+NH4"	18.033823
"1688647"	870.201823	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4"	18.033823
"340216"	861.6885495	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+NH4"	19.041099
"735919"	1287.7725495	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+NH4"	19.041099
"1484271"	435.6045495	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+NH4"	19.041099
"401861"	1727.325218	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Na"	22.989218
"759574"	2579.493218	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Na"	22.989218
"1608766"	875.157218	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na"	22.989218
"319895"	864.166247	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+Na"	23.996494
"707329"	1290.250247	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+Na"	23.996494
"1461418"	438.082247	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+Na"	23.996494
"1056100"	292.39059	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2H+Na"	25.00377
"1261062"	885.201486	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+CH3OH+H"	33.033486
"384012"	1743.299158	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+K"	38.963158
"753643"	2595.467158	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+K"	38.963158
"1554358"	891.131158	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K"	38.963158
"305334"	872.153217	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+H+K"	39.970434
"696661"	1298.237217	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+H+K"	39.970434
"1452669"	446.069217	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+K"	39.970434
"241270"	1746.369826	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+ACN+H"	42.033826
"1216163"	894.201826	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+H"	42.033826
"1202236"	447.604551	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+2H"	43.041102
"196201"	1749.30716	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Na-H"	44.97116
"639041"	2601.47516	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Na-H"	44.97116
"1137078"	897.13916	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Na-H"	44.97116
"174170"	875.157218	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2Na"	45.978436
"613363"	1301.241218	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2Na"	45.978436
"1116868"	449.073218	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2Na"	45.978436
"1404773"	299.717904	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+2Na"	46.985712
"1431425"	899.180746	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+HCOOH"	47.012746
"225496"	880.19024	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+3H2O+2H"	56.04448
"1512465"	913.23279	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+IsoProp+H"	61.06479
"415436"	883.144188	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+Na+K"	61.952376
"775337"	1309.228188	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+Na+K"	61.952376
"1666562"	457.060188	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+K"	61.952376
"252351"	1768.351768	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+ACN+Na"	64.015768
"1227614"	916.183768	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+ACN+Na"	64.015768
"1713706"	916.207293	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4+HCOOH"	64.039293
"1179669"	307.045218	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3Na"	68.967654
"1652842"	921.162688	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+HCOOH"	68.994688
"157879"	1781.25504	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2K-H"	76.91904
"599263"	2633.42304	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2K-H"	76.91904
"1085351"	929.08704	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K-H"	76.91904
"146062"	891.131158	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"2M+2K"	77.926316
"585620"	1317.215158	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"3M+2K"	77.926316
"1077791"	465.047158	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K"	77.926316
"1115462"	931.101592	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2K+H"	78.933592
"1351230"	931.189207	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+DMSO+H"	79.021207
"1020901"	935.228376	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2ACN+H"	83.060376
"1539271"	936.222008	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+IsoProp+Na+H"	84.054008
"1003771"	468.117826	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+2ACN+2H"	84.067652
"1600465"	937.136628	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K+HCOOH"	84.968628
"1427218"	967.168138	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+H+CF3COOH"	115.000138
"1159696"	488.631101	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+3ACN+2H"	125.094202
"1707059"	984.194685	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+NH4+CF3COOH"	132.026685
"1642708"	989.15008	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+Na+CF3COOH"	136.98208
"1577268"	1005.12402	"C05231"	"L-3-Aminobutyryl-CoA;L-3-Aminobutanoyl-CoA"	"C25H43N8O17P3S"	"852.168"	"M+K+CF3COOH"	152.95602
"807636"	74.0368	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M"	0
"974639"	55.01841	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"63248"	48.3505906666667	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"503980"	73.029524	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"891886"	23.6716573333333	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"11920"	73.029524	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"453669"	110.047924	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"830370"	36.011124	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"92921"	147.066324	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"532598"	221.103124	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"902256"	73.029524	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"50068"	164.092871	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"488653"	238.129671	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"872908"	90.056071	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"34248"	169.048266	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"473078"	243.085066	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"853796"	95.011466	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1627703"	95.011466	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"104233"	91.017863	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"549765"	128.036263	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"942673"	53.999463	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"282279"	183.043002	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"673038"	257.079802	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1287138"	109.006202	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"29091"	185.022206	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"466097"	259.059006	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"837336"	110.985406	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1567021"	110.985406	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"951622"	119.034994	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"374945"	193.071801	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"359192"	207.087451	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1505479"	133.050651	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"968279"	141.016951	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"122651"	109.006202	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"563308"	146.024602	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1035022"	71.987802	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1254981"	152.955685	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1319850"	155.011672	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1335211"	176.993629	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"926834"	187.022386	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1304028"	222.999064	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1382066"	39.024124	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1397374"	57.0341	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"298156"	149.080876	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"688630"	223.117676	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1359147"	75.044076	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"141150"	75.044076	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"580591"	112.062476	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1052059"	38.025676	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"213761"	50.3651426666667	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"652227"	75.044076	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1175458"	25.6862093333333	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"430344"	166.107423	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"794623"	240.144223	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1688772"	92.070623	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"341060"	83.5573495	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"731660"	120.5757495	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1491192"	46.5389495	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"399784"	171.062818	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"759684"	245.099618	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1605595"	97.026018	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"317819"	86.035047	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"718991"	123.053447	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1475370"	49.016647	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1066547"	33.0135233333333	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1268837"	107.070286	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"387412"	187.036758	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"751689"	261.073558	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1552645"	112.999958	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"311644"	94.022017	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"701148"	131.040417	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1456061"	57.003617	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"239922"	190.107426	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1219560"	116.070626	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1203444"	58.538951	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"196314"	193.04476	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"634779"	267.08156	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1140472"	119.00796	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"177928"	97.026018	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"618953"	134.044418	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1121364"	60.007618	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1402704"	40.3408373333333	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1439194"	121.049546	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"227800"	102.05904	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1521328"	135.10159	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"415547"	105.012988	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"772168"	142.031388	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1667769"	67.994588	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"256477"	212.089368	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1232466"	138.052568	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1716613"	138.076093	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1179776"	47.6681513333333	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1651129"	143.031488	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"160180"	224.99264	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"600468"	299.02944	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1089355"	150.95584	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"156795"	112.999958	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"591208"	150.018358	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1079002"	75.981558	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1114034"	152.970392	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1348595"	153.058007	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1019191"	157.097176	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1534158"	158.090808	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"1004618"	79.052226	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1595111"	159.005428	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1425147"	189.036938	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1159808"	99.565501	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1708265"	206.063485	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1646102"	211.01888	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1574098"	226.99282	"C05235"	"Hydroxyacetone;Acetol;1-Hydroxy-2-propanone;2-Ketopropyl alcohol;Acetone alcohol;Pyruvinalcohol;Pyruvic alcohol;Methylketol"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"804467"	83.0483	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M"	0
"977267"	64.02991	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-H2O-H"	-19.01839
"65144"	54.3582573333333	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M-3H"	-3.021828
"506892"	82.041024	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M-3H"	-3.021828
"890175"	26.6754906666667	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-3H"	-3.021828
"10937"	82.041024	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M-2H"	-2.014552
"454873"	123.565174	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M-2H"	-2.014552
"828294"	40.516874	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-2H"	-2.014552
"93516"	165.089324	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M-H"	-1.007276
"533201"	248.137624	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M-H"	-1.007276
"903460"	82.041024	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-H"	-1.007276
"56740"	182.115871	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M-2H+NH4"	16.019271
"489372"	265.164171	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M-2H+NH4"	16.019271
"874111"	99.067571	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-2H+NH4"	16.019271
"35451"	187.071266	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M-2H+Na"	20.974666
"473916"	270.119566	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M-2H+Na"	20.974666
"852812"	104.022966	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-2H+Na"	20.974666
"1624533"	104.022966	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Na-2H"	20.974666
"102156"	100.029363	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M-H+Cl"	33.962126
"548293"	141.553513	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M-H+Cl"	33.962126
"940348"	58.505213	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-H+Cl"	33.962126
"281093"	201.066002	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+Cl"	34.969402
"672053"	284.114302	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+Cl"	34.969402
"1285544"	118.017702	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Cl"	34.969402
"28835"	203.045206	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M-2H+K"	36.948606
"465113"	286.093506	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M-2H+K"	36.948606
"834287"	119.996906	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-2H+K"	36.948606
"1566401"	119.996906	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+K-2H"	36.948606
"952096"	128.046494	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-H+HCOOH"	44.998194
"374327"	211.094801	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+HCOOH-H"	44.998201
"358942"	225.110451	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+Hac-H"	59.013851
"1506684"	142.062151	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Hac-H"	59.013851
"969118"	150.028451	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-H+NaCOOH"	66.980151
"121670"	118.017702	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+2Cl"	69.938804
"561962"	159.541852	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+2Cl"	69.938804
"1032216"	76.493552	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2Cl"	69.938804
"1256425"	161.967185	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Br"	78.918885
"1319646"	164.023172	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Cl+HCOOH"	80.974872
"1334796"	186.005129	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Cl+NaCOOH"	102.956829
"926828"	196.033886	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M-H+CF3COOH"	112.985586
"1303859"	232.010564	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Cl+CF3COOH"	148.962264
"1382630"	48.035624	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H-2H2O"	-35.012676
"1397372"	66.0456	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H-H2O"	-17.0027
"297418"	167.103876	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+H"	1.007276
"689105"	250.152176	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+H"	1.007276
"1366427"	84.055576	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H"	1.007276
"140413"	84.055576	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+2H"	2.014552
"579734"	125.579726	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+2H"	2.014552
"1052373"	42.531426	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2H"	2.014552
"214964"	56.3728093333333	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+3H"	3.021828
"652337"	84.055576	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+3H"	3.021828
"1176297"	28.6900426666667	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+3H"	3.021828
"430454"	184.130423	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+NH4"	18.033823
"799109"	267.178723	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+NH4"	18.033823
"1688882"	101.082123	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+NH4"	18.033823
"341535"	92.5688495	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+H+NH4"	19.041099
"737238"	134.0929995	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+H+NH4"	19.041099
"1491423"	51.0446995	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H+NH4"	19.041099
"406821"	189.085818	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+Na"	22.989218
"758702"	272.134118	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+Na"	22.989218
"1608986"	106.037518	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Na"	22.989218
"319022"	95.046547	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+H+Na"	23.996494
"719101"	136.570697	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+H+Na"	23.996494
"1476211"	53.522397	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H+Na"	23.996494
"1066170"	36.0173566666667	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2H+Na"	25.00377
"1268949"	116.081786	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+CH3OH+H"	33.033486
"389709"	205.059758	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+K"	38.963158
"751799"	288.108058	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+K"	38.963158
"1551298"	122.011458	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+K"	38.963158
"312483"	103.033517	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+H+K"	39.970434
"703444"	144.557667	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+H+K"	39.970434
"1456171"	61.509367	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H+K"	39.970434
"238937"	208.130426	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+ACN+H"	42.033826
"1218576"	125.082126	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+ACN+H"	42.033826
"1204647"	63.044701	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+ACN+2H"	43.041102
"197517"	211.06776	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+2Na-H"	44.97116
"633796"	294.11606	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+2Na-H"	44.97116
"1138395"	128.01946	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2Na-H"	44.97116
"177673"	106.037518	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+2Na"	45.978436
"620156"	147.561668	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+2Na"	45.978436
"1122567"	64.513368	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2Na"	45.978436
"1402814"	43.3446706666667	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H+2Na"	46.985712
"1433107"	130.061046	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H+HCOOH"	47.012746
"227911"	111.07054	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+3H2O+2H"	56.04448
"1522900"	144.11309	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+IsoProp+H"	61.06479
"415657"	114.024488	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+Na+K"	61.952376
"781392"	155.548638	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+Na+K"	61.952376
"1670796"	72.500338	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Na+K"	61.952376
"256223"	230.112368	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+ACN+Na"	64.015768
"1232212"	147.064068	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+ACN+Na"	64.015768
"1716723"	147.087593	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+NH4+HCOOH"	64.039293
"1180981"	50.6719846666667	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+3Na"	68.967654
"1651967"	152.042988	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Na+HCOOH"	68.994688
"160290"	243.01564	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+2K-H"	76.91904
"600578"	326.06394	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+2K-H"	76.91904
"1088372"	159.96734	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2K-H"	76.91904
"155036"	122.011458	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"2M+2K"	77.926316
"596875"	163.535608	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"3M+2K"	77.926316
"1081299"	80.487308	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2K"	77.926316
"1114632"	161.981892	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2K+H"	78.933592
"1344332"	162.069507	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+DMSO+H"	79.021207
"1019060"	166.108676	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2ACN+H"	83.060376
"1533175"	167.102308	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+IsoProp+Na+H"	84.054008
"1000717"	83.557976	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+2ACN+2H"	84.067652
"1597408"	168.016928	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+K+HCOOH"	84.968628
"1424164"	198.048438	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+H+CF3COOH"	115.000138
"1157731"	104.071251	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+3ACN+2H"	125.094202
"1708376"	215.074985	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+NH4+CF3COOH"	132.026685
"1648766"	220.03038	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+Na+CF3COOH"	136.98208
"1577489"	236.00432	"C05239"	"5-Aminoimidazole;Aminoimidazole;4-Aminoimidazole"	"C3H5N3"	"83.0483"	"M+K+CF3COOH"	152.95602
"812232"	299.1521	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M"	0
"983576"	280.13371	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H2O-H"	-19.01839
"70726"	198.427457333333	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-3H"	-3.021828
"511378"	298.144824	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-3H"	-3.021828
"890286"	98.7100906666667	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-3H"	-3.021828
"13233"	298.144824	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H"	-2.014552
"455469"	447.720874	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H"	-2.014552
"830590"	148.568774	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H"	-2.014552
"91674"	597.296924	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-H"	-1.007276
"533959"	896.449024	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-H"	-1.007276
"906849"	298.144824	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H"	-1.007276
"57944"	614.323471	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H+NH4"	16.019271
"498598"	913.475571	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H+NH4"	16.019271
"874223"	315.171371	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H+NH4"	16.019271
"39937"	619.278866	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H+Na"	20.974666
"481684"	918.430966	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H+Na"	20.974666
"859484"	320.126766	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H+Na"	20.974666
"1627923"	320.126766	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na-2H"	20.974666
"103361"	316.133163	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-H+Cl"	33.962126
"549013"	465.709213	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-H+Cl"	33.962126
"940821"	166.557113	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+Cl"	33.962126
"281569"	633.273602	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Cl"	34.969402
"673621"	932.425702	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+Cl"	34.969402
"1286753"	334.121502	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl"	34.969402
"29674"	635.252806	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M-2H+K"	36.948606
"468867"	934.404906	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M-2H+K"	36.948606
"846305"	336.100706	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-2H+K"	36.948606
"1570158"	336.100706	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K-2H"	36.948606
"953301"	344.150294	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+HCOOH"	44.998194
"373343"	643.302401	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+HCOOH-H"	44.998201
"359414"	657.318051	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Hac-H"	59.013851
"1507526"	358.165951	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Hac-H"	59.013851
"969592"	366.132251	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+NaCOOH"	66.980151
"122145"	334.121502	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2Cl"	69.938804
"563533"	483.697552	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2Cl"	69.938804
"1036224"	184.545452	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2Cl"	69.938804
"1256047"	378.070985	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Br"	78.918885
"1319802"	380.126972	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl+HCOOH"	80.974872
"1335401"	402.108929	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl+NaCOOH"	102.956829
"926811"	412.137686	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M-H+CF3COOH"	112.985586
"1304150"	448.114364	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Cl+CF3COOH"	148.962264
"1382634"	264.139424	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H-2H2O"	-35.012676
"1397847"	282.1494	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H-H2O"	-17.0027
"298503"	599.311476	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H"	1.007276
"690554"	898.463576	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H"	1.007276
"1366299"	300.159376	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H"	1.007276
"141335"	300.159376	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2H"	2.014552
"580570"	449.735426	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2H"	2.014552
"1052534"	150.583326	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2H"	2.014552
"215074"	200.442009333333	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+3H"	3.021828
"652447"	300.159376	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+3H"	3.021828
"1174583"	100.724642666667	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+3H"	3.021828
"430564"	616.338023	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+NH4"	18.033823
"798854"	915.490123	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+NH4"	18.033823
"1696569"	317.185923	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+NH4"	18.033823
"345295"	308.6726495	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H+NH4"	19.041099
"736257"	458.2486995	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H+NH4"	19.041099
"1492579"	159.0965995	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+NH4"	19.041099
"407903"	621.293418	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Na"	22.989218
"762092"	920.445518	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+Na"	22.989218
"1610190"	322.141318	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na"	22.989218
"321319"	311.150347	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H+Na"	23.996494
"719211"	460.726397	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H+Na"	23.996494
"1476814"	161.574297	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+Na"	23.996494
"1068029"	108.051956666667	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2H+Na"	25.00377
"1272016"	332.185586	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+CH3OH+H"	33.033486
"390912"	637.267358	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+K"	38.963158
"751909"	936.419458	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+K"	38.963158
"1554687"	338.115258	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K"	38.963158
"312227"	319.137317	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+H+K"	39.970434
"702461"	468.713367	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+H+K"	39.970434
"1456281"	169.561267	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+K"	39.970434
"238683"	640.338026	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+ACN+H"	42.033826
"1217593"	341.185926	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+ACN+H"	42.033826
"1206943"	171.096601	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+ACN+2H"	43.041102
"198720"	643.27536	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2Na-H"	44.97116
"633906"	942.42746	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2Na-H"	44.97116
"1137412"	344.12326	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2Na-H"	44.97116
"179607"	322.141318	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2Na"	45.978436
"621359"	471.717368	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2Na"	45.978436
"1120490"	172.565268	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2Na"	45.978436
"1407296"	115.379270666667	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+2Na"	46.985712
"1436131"	346.164846	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+HCOOH"	47.012746
"230208"	327.17434	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+3H2O+2H"	56.04448
"1522645"	360.21689	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+IsoProp+H"	61.06479
"415767"	330.128288	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+Na+K"	61.952376
"780410"	479.704338	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+Na+K"	61.952376
"1670906"	180.552238	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na+K"	61.952376
"258519"	662.319968	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+ACN+Na"	64.015768
"1232322"	363.167868	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+ACN+Na"	64.015768
"1715740"	363.191393	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+NH4+HCOOH"	64.039293
"1182186"	122.706584666667	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+3Na"	68.967654
"1654632"	368.146788	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na+HCOOH"	68.994688
"159307"	675.22324	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2K-H"	76.91904
"600688"	974.37534	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2K-H"	76.91904
"1086660"	376.07114	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2K-H"	76.91904
"155146"	338.115258	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"2M+2K"	77.926316
"596618"	487.691308	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"3M+2K"	77.926316
"1081409"	188.539208	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2K"	77.926316
"1112430"	378.085692	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2K+H"	78.933592
"1349548"	378.173307	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+DMSO+H"	79.021207
"1018441"	382.212476	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2ACN+H"	83.060376
"1535476"	383.206108	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+IsoProp+Na+H"	84.054008
"1003015"	191.609876	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+2ACN+2H"	84.067652
"1590229"	384.120728	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K+HCOOH"	84.968628
"1422087"	414.152238	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+H+CF3COOH"	115.000138
"1157842"	212.123151	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+3ACN+2H"	125.094202
"1707394"	431.178785	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+NH4+CF3COOH"	132.026685
"1647417"	436.13418	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+Na+CF3COOH"	136.98208
"1577599"	452.10812	"C05243"	"(R)-N-Methylcoclaurine;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol"	"C18H21NO3"	"299.1521"	"M+K+CF3COOH"	152.95602
"804687"	349.095	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M"	0
"981500"	330.07661	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-H2O-H"	-19.01839
"68647"	231.722724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M-3H"	-3.021828
"509302"	348.087724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M-3H"	-3.021828
"891489"	115.357724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-3H"	-3.021828
"12979"	348.087724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M-2H"	-2.014552
"454967"	522.635224	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M-2H"	-2.014552
"827420"	173.540224	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-2H"	-2.014552
"84129"	697.182724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M-H"	-1.007276
"533986"	1046.277724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M-H"	-1.007276
"904773"	348.087724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-H"	-1.007276
"56961"	714.209271	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M-2H+NH4"	16.019271
"496522"	1063.304271	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M-2H+NH4"	16.019271
"873240"	365.114271	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-2H+NH4"	16.019271
"41139"	719.164666	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M-2H+Na"	20.974666
"482888"	1068.259666	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M-2H+Na"	20.974666
"859594"	370.069666	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-2H+Na"	20.974666
"1628033"	370.069666	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Na-2H"	20.974666
"103471"	366.076063	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M-H+Cl"	33.962126
"548874"	540.623563	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M-H+Cl"	33.962126
"942268"	191.528563	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-H+Cl"	33.962126
"282164"	733.159402	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+Cl"	34.969402
"674823"	1082.254402	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+Cl"	34.969402
"1287997"	384.064402	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Cl"	34.969402
"27591"	735.138606	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M-2H+K"	36.948606
"467519"	1084.233606	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M-2H+K"	36.948606
"847875"	386.043606	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-2H+K"	36.948606
"1569904"	386.043606	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+K-2H"	36.948606
"953411"	394.093194	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-H+HCOOH"	44.998194
"373817"	743.188201	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+HCOOH-H"	44.998201
"359524"	757.203851	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+Hac-H"	59.013851
"1506785"	408.108851	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Hac-H"	59.013851
"969702"	416.075151	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-H+NaCOOH"	66.980151
"123715"	384.064402	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+2Cl"	69.938804
"562913"	558.611902	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+2Cl"	69.938804
"1034991"	209.516902	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2Cl"	69.938804
"1255303"	428.013885	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Br"	78.918885
"1318603"	430.069872	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Cl+HCOOH"	80.974872
"1334155"	452.051829	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Cl+NaCOOH"	102.956829
"923026"	462.080586	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M-H+CF3COOH"	112.985586
"1299734"	498.057264	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Cl+CF3COOH"	148.962264
"1381786"	314.082324	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H-2H2O"	-35.012676
"1397216"	332.0923	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H-H2O"	-17.0027
"295081"	699.197276	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+H"	1.007276
"689689"	1048.292276	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+H"	1.007276
"1362757"	350.102276	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H"	1.007276
"140507"	350.102276	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+2H"	2.014552
"580677"	524.649776	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+2H"	2.014552
"1052029"	175.554776	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2H"	2.014552
"218835"	233.737276	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+3H"	3.021828
"652558"	350.102276	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+3H"	3.021828
"1168496"	117.372276	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+3H"	3.021828
"430674"	716.223823	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+NH4"	18.033823
"791673"	1065.318823	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+NH4"	18.033823
"1692383"	367.128823	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+NH4"	18.033823
"343943"	358.6155495	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+H+NH4"	19.041099
"737094"	533.1630495	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+H+NH4"	19.041099
"1492453"	184.0680495	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H+NH4"	19.041099
"407041"	721.179218	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+Na"	22.989218
"762202"	1070.274218	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+Na"	22.989218
"1605925"	372.084218	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Na"	22.989218
"319241"	361.093247	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+H+Na"	23.996494
"718228"	535.640747	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+H+Na"	23.996494
"1476425"	186.545747	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H+Na"	23.996494
"1067124"	124.69959	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2H+Na"	25.00377
"1271720"	382.128486	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+CH3OH+H"	33.033486
"389930"	737.153158	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+K"	38.963158
"752749"	1086.248158	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+K"	38.963158
"1555163"	388.058158	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+K"	38.963158
"307964"	369.080217	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+H+K"	39.970434
"700385"	543.627717	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+H+K"	39.970434
"1453111"	194.532717	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H+K"	39.970434
"238064"	740.223826	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+ACN+H"	42.033826
"1217703"	391.128826	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+ACN+H"	42.033826
"1205960"	196.068051	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+ACN+2H"	43.041102
"196643"	743.16116	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+2Na-H"	44.97116
"634016"	1092.25616	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+2Na-H"	44.97116
"1138614"	394.06616	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2Na-H"	44.97116
"175341"	372.084218	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+2Na"	45.978436
"621469"	546.631718	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+2Na"	45.978436
"1116099"	197.536718	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2Na"	45.978436
"1406313"	132.026904	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H+2Na"	46.985712
"1432961"	396.107746	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H+HCOOH"	47.012746
"230315"	377.11724	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+3H2O+2H"	56.04448
"1523482"	410.15979	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+IsoProp+H"	61.06479
"415877"	380.071188	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+Na+K"	61.952376
"781976"	554.618688	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+Na+K"	61.952376
"1671016"	205.523688	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Na+K"	61.952376
"258629"	762.205768	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+ACN+Na"	64.015768
"1232432"	413.110768	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+ACN+Na"	64.015768
"1715850"	413.134293	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+NH4+HCOOH"	64.039293
"1180836"	139.354218	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+3Na"	68.967654
"1654377"	418.089688	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Na+HCOOH"	68.994688
"162332"	775.10904	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+2K-H"	76.91904
"599704"	1124.20404	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+2K-H"	76.91904
"1090778"	426.01404	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2K-H"	76.91904
"154163"	388.058158	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"2M+2K"	77.926316
"596889"	562.605658	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"3M+2K"	77.926316
"1082612"	213.510658	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2K"	77.926316
"1112540"	428.028592	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2K+H"	78.933592
"1348928"	428.116207	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+DMSO+H"	79.021207
"1019523"	432.155376	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2ACN+H"	83.060376
"1536680"	433.149008	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+IsoProp+Na+H"	84.054008
"1003126"	216.581326	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+2ACN+2H"	84.067652
"1592163"	434.063628	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+K+HCOOH"	84.968628
"1422197"	464.095138	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+H+CF3COOH"	115.000138
"1157952"	237.094601	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+3ACN+2H"	125.094202
"1708597"	481.121685	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+NH4+CF3COOH"	132.026685
"1647163"	486.07708	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+Na+CF3COOH"	136.98208
"1577709"	502.05102	"C05247"	"10-Hydroxydihydrosanguinarine"	"C20H15NO5"	"349.095"	"M+K+CF3COOH"	152.95602
"804797"	321.0921	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M"	0
"981610"	302.07371	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-H2O-H"	-19.01839
"65478"	213.054124	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M-3H"	-3.021828
"514892"	320.084824	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M-3H"	-3.021828
"891598"	106.023424	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-3H"	-3.021828
"13817"	320.084824	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M-2H"	-2.014552
"453014"	480.630874	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M-2H"	-2.014552
"827530"	159.538774	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-2H"	-2.014552
"92995"	641.176924	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M-H"	-1.007276
"532194"	962.269024	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M-H"	-1.007276
"910116"	320.084824	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-H"	-1.007276
"55978"	658.203471	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M-2H+NH4"	16.019271
"492267"	979.295571	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M-2H+NH4"	16.019271
"873351"	337.111371	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-2H+NH4"	16.019271
"41252"	663.158866	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M-2H+Na"	20.974666
"480811"	984.250966	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M-2H+Na"	20.974666
"859705"	342.066766	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-2H+Na"	20.974666
"1628149"	342.066766	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Na-2H"	20.974666
"106870"	338.073163	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M-H+Cl"	33.962126
"549761"	498.619213	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M-H+Cl"	33.962126
"942340"	177.527113	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-H+Cl"	33.962126
"282396"	677.153602	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+Cl"	34.969402
"674203"	998.245702	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+Cl"	34.969402
"1286606"	356.061502	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Cl"	34.969402
"28068"	679.132806	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M-2H+K"	36.948606
"466539"	1000.224906	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M-2H+K"	36.948606
"844340"	358.040706	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-2H+K"	36.948606
"1570013"	358.040706	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+K-2H"	36.948606
"957173"	366.090294	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-H+HCOOH"	44.998194
"370649"	687.182401	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+HCOOH-H"	44.998201
"353439"	701.198051	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+Hac-H"	59.013851
"1498622"	380.105951	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Hac-H"	59.013851
"968716"	388.072251	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-H+NaCOOH"	66.980151
"120906"	356.061502	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+2Cl"	69.938804
"562291"	516.607552	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+2Cl"	69.938804
"1034742"	195.515452	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2Cl"	69.938804
"1251038"	400.010985	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Br"	78.918885
"1317136"	402.066972	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Cl+HCOOH"	80.974872
"1329888"	424.048929	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Cl+NaCOOH"	102.956829
"923136"	434.077686	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M-H+CF3COOH"	112.985586
"1299846"	470.054364	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Cl+CF3COOH"	148.962264
"1375821"	286.079424	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H-2H2O"	-35.012676
"1396598"	304.0894	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H-H2O"	-17.0027
"291910"	643.191476	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+H"	1.007276
"684334"	964.283576	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+H"	1.007276
"1362504"	322.099376	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H"	1.007276
"137945"	322.099376	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+2H"	2.014552
"577142"	482.645426	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+2H"	2.014552
"1049587"	161.553326	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2H"	2.014552
"215299"	215.068676	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+3H"	3.021828
"655222"	322.099376	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+3H"	3.021828
"1174442"	108.037976	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+3H"	3.021828
"437352"	660.218023	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+NH4"	18.033823
"786684"	981.310123	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+NH4"	18.033823
"1688121"	339.125923	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+NH4"	18.033823
"337493"	330.6126495	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+H+NH4"	19.041099
"728820"	491.1586995	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+H+NH4"	19.041099
"1488108"	170.0665995	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H+NH4"	19.041099
"403506"	665.173418	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+Na"	22.989218
"759033"	986.265518	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+Na"	22.989218
"1604943"	344.081318	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Na"	22.989218
"327013"	333.090347	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+H+Na"	23.996494
"720529"	493.636397	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+H+Na"	23.996494
"1476664"	172.544297	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H+Na"	23.996494
"1068327"	115.36529	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2H+Na"	25.00377
"1271463"	354.125586	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+CH3OH+H"	33.033486
"391860"	681.147358	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+K"	38.963158
"752125"	1002.239458	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+K"	38.963158
"1554181"	360.055258	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+K"	38.963158
"312085"	341.077317	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+H+K"	39.970434
"703777"	501.623367	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+H+K"	39.970434
"1457596"	180.531267	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H+K"	39.970434
"248387"	684.218026	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+ACN+H"	42.033826
"1221095"	363.125926	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+ACN+H"	42.033826
"1200603"	182.066601	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+ACN+2H"	43.041102
"194567"	687.15536	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+2Na-H"	44.97116
"634128"	1008.24746	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+2Na-H"	44.97116
"1135446"	366.06326	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2Na-H"	44.97116
"182020"	344.081318	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+2Na"	45.978436
"621579"	504.627368	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+2Na"	45.978436
"1116213"	183.535268	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2Na"	45.978436
"1400956"	122.692604	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H+2Na"	46.985712
"1441461"	368.104846	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H+HCOOH"	47.012746
"234440"	349.11434	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+3H2O+2H"	56.04448
"1522498"	382.15689	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+IsoProp+H"	61.06479
"421093"	352.068288	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+Na+K"	61.952376
"782450"	512.614338	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+Na+K"	61.952376
"1669304"	191.522238	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Na+K"	61.952376
"257647"	706.199968	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+ACN+Na"	64.015768
"1232542"	385.107868	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+ACN+Na"	64.015768
"1719240"	385.131393	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+NH4+HCOOH"	64.039293
"1187877"	130.019918	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+3Na"	68.967654
"1663240"	390.086788	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Na+HCOOH"	68.994688
"166819"	719.10324	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+2K-H"	76.91904
"610754"	1040.19534	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+2K-H"	76.91904
"1098551"	398.01114	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2K-H"	76.91904
"156718"	360.055258	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"2M+2K"	77.926316
"593837"	520.601308	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"3M+2K"	77.926316
"1083695"	199.509208	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2K"	77.926316
"1108277"	400.025692	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2K+H"	78.933592
"1346851"	400.113307	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+DMSO+H"	79.021207
"1018662"	404.152476	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2ACN+H"	83.060376
"1536789"	405.146108	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+IsoProp+Na+H"	84.054008
"998860"	202.579876	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+2ACN+2H"	84.067652
"1597739"	406.060728	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+K+HCOOH"	84.968628
"1425587"	436.092238	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+H+CF3COOH"	115.000138
"1155874"	223.093151	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+3ACN+2H"	125.094202
"1707613"	453.118785	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+NH4+CF3COOH"	132.026685
"1647637"	458.07418	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+Na+CF3COOH"	136.98208
"1577819"	474.04812	"C05252"	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-123-Tri-hydroxypropyl)-5678-tetrahydroxypterin"	"C9H15N5O8"	"321.0921"	"M+K+CF3COOH"	152.95602
"804907"	289.1022	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M"	0
"981720"	270.08381	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-H2O-H"	-19.01839
"67774"	191.727524	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M-3H"	-3.021828
"517881"	288.094924	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M-3H"	-3.021828
"894261"	95.360124	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-3H"	-3.021828
"13200"	288.094924	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M-2H"	-2.014552
"452760"	432.646024	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M-2H"	-2.014552
"827640"	143.543824	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-2H"	-2.014552
"86538"	577.197124	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M-H"	-1.007276
"531938"	866.299324	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M-H"	-1.007276
"908890"	288.094924	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-H"	-1.007276
"58275"	594.223671	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M-2H+NH4"	16.019271
"489097"	883.325871	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M-2H+NH4"	16.019271
"873460"	305.121471	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-2H+NH4"	16.019271
"38080"	599.179066	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M-2H+Na"	20.974666
"482013"	888.281266	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M-2H+Na"	20.974666
"858722"	310.076866	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-2H+Na"	20.974666
"1627164"	310.076866	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Na-2H"	20.974666
"107710"	306.083263	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M-H+Cl"	33.962126
"549882"	450.634363	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M-H+Cl"	33.962126
"942125"	161.532163	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-H+Cl"	33.962126
"282657"	613.173802	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+Cl"	34.969402
"673221"	902.276002	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+Cl"	34.969402
"1286353"	324.071602	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Cl"	34.969402
"27815"	615.153006	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M-2H+K"	36.948606
"467743"	904.255206	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M-2H+K"	36.948606
"842264"	326.050806	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-2H+K"	36.948606
"1563564"	326.050806	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+K-2H"	36.948606
"952542"	334.100394	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-H+HCOOH"	44.998194
"369665"	623.202601	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+HCOOH-H"	44.998201
"354643"	637.218251	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+Hac-H"	59.013851
"1501286"	348.116051	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Hac-H"	59.013851
"967733"	356.082351	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-H+NaCOOH"	66.980151
"121382"	324.071602	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+2Cl"	69.938804
"560213"	468.622702	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+2Cl"	69.938804
"1032301"	179.520502	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2Cl"	69.938804
"1251149"	368.021085	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Br"	78.918885
"1314692"	370.077072	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Cl+HCOOH"	80.974872
"1332187"	392.059029	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Cl+NaCOOH"	102.956829
"924705"	402.087786	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M-H+CF3COOH"	112.985586
"1299955"	438.064464	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Cl+CF3COOH"	148.962264
"1381397"	254.089524	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H-2H2O"	-35.012676
"1395249"	272.0995	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H-H2O"	-17.0027
"297734"	579.211676	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+H"	1.007276
"689911"	868.313876	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+H"	1.007276
"1362614"	290.109476	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H"	1.007276
"138783"	290.109476	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+2H"	2.014552
"578345"	434.660576	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+2H"	2.014552
"1048239"	145.558376	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2H"	2.014552
"215774"	193.742076	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+3H"	3.021828
"656425"	290.109476	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+3H"	3.021828
"1175281"	97.374676	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+3H"	3.021828
"436004"	596.238223	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+NH4"	18.033823
"787523"	885.340423	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+NH4"	18.033823
"1687138"	307.136023	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+NH4"	18.033823
"336510"	298.6227495	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+H+NH4"	19.041099
"728930"	443.1738495	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+H+NH4"	19.041099
"1488218"	154.0716495	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H+NH4"	19.041099
"403616"	601.193618	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+Na"	22.989218
"759143"	890.295818	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+Na"	22.989218
"1605053"	312.091418	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Na"	22.989218
"325666"	301.100447	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+H+Na"	23.996494
"717359"	445.651547	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+H+Na"	23.996494
"1476652"	156.549347	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H+Na"	23.996494
"1067102"	104.70199	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2H+Na"	25.00377
"1271819"	322.135686	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+CH3OH+H"	33.033486
"390999"	617.167558	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+K"	38.963158
"751142"	906.269758	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+K"	38.963158
"1554535"	328.065358	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+K"	38.963158
"310738"	309.087417	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+H+K"	39.970434
"702430"	453.638517	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+H+K"	39.970434
"1457342"	164.536317	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H+K"	39.970434
"247404"	620.238226	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+ACN+H"	42.033826
"1221206"	331.136026	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+ACN+H"	42.033826
"1201807"	166.071651	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+ACN+2H"	43.041102
"197958"	623.17556	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+2Na-H"	44.97116
"634239"	912.27776	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+2Na-H"	44.97116
"1137742"	334.07336	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2Na-H"	44.97116
"182130"	312.091418	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+2Na"	45.978436
"621689"	456.642518	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+2Na"	45.978436
"1118634"	167.540318	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2Na"	45.978436
"1406898"	112.029304	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H+2Na"	46.985712
"1441935"	336.114946	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H+HCOOH"	47.012746
"231995"	317.12444	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+3H2O+2H"	56.04448
"1520421"	350.16699	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+IsoProp+H"	61.06479
"420837"	320.078388	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+Na+K"	61.952376
"774906"	464.629488	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+Na+K"	61.952376
"1670143"	175.527288	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Na+K"	61.952376
"257757"	642.220168	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+ACN+Na"	64.015768
"1231558"	353.117968	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+ACN+Na"	64.015768
"1716070"	353.141493	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+NH4+HCOOH"	64.039293
"1187987"	119.356618	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+3Na"	68.967654
"1662621"	358.096888	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Na+HCOOH"	68.994688
"169115"	655.12344	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+2K-H"	76.91904
"611473"	944.22564	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+2K-H"	76.91904
"1098661"	366.02124	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2K-H"	76.91904
"156783"	328.065358	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"2M+2K"	77.926316
"593947"	472.616458	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"3M+2K"	77.926316
"1082958"	183.514258	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2K"	77.926316
"1111667"	368.035792	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2K+H"	78.933592
"1346961"	368.123407	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+DMSO+H"	79.021207
"1018772"	372.162576	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2ACN+H"	83.060376
"1535807"	373.156208	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+IsoProp+Na+H"	84.054008
"1002250"	186.584926	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+2ACN+2H"	84.067652
"1596756"	374.070828	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+K+HCOOH"	84.968628
"1425334"	404.102338	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+H+CF3COOH"	115.000138
"1157077"	207.098201	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+3ACN+2H"	125.094202
"1708816"	421.128885	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+NH4+CF3COOH"	132.026685
"1647383"	426.08428	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+Na+CF3COOH"	136.98208
"1577929"	442.05822	"C05253"	"2-Amino-4-oxo-6-(123-trihydroxypropyl)-diquinoid-78-dihydroxypterin"	"C9H15N5O6"	"289.1022"	"M+K+CF3COOH"	152.95602
"817051"	1021.3398	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M"	0
"989127"	1002.32141	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-H2O-H"	-19.01839
"77730"	679.885924	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M-3H"	-3.021828
"516205"	1020.332524	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M-3H"	-3.021828
"894003"	339.439324	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-3H"	-3.021828
"14763"	1020.332524	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M-2H"	-2.014552
"452866"	1531.002424	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M-2H"	-2.014552
"828843"	509.662624	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-2H"	-2.014552
"87740"	2041.672324	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M-H"	-1.007276
"529489"	3063.012124	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M-H"	-1.007276
"906198"	1020.332524	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-H"	-1.007276
"61549"	2058.698871	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M-2H+NH4"	16.019271
"492487"	3080.038671	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M-2H+NH4"	16.019271
"873570"	1037.359071	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-2H+NH4"	16.019271
"38190"	2063.654266	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M-2H+Na"	20.974666
"479939"	3084.994066	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M-2H+Na"	20.974666
"855553"	1042.314466	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-2H+Na"	20.974666
"1630194"	1042.314466	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Na-2H"	20.974666
"108432"	1038.320863	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M-H+Cl"	33.962126
"548721"	1548.990763	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M-H+Cl"	33.962126
"940532"	527.650963	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-H+Cl"	33.962126
"281400"	2077.649002	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+Cl"	34.969402
"675486"	3098.988802	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+Cl"	34.969402
"1286954"	1056.309202	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Cl"	34.969402
"27197"	2079.628206	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M-2H+K"	36.948606
"468944"	3100.968006	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M-2H+K"	36.948606
"842373"	1058.288406	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-2H+K"	36.948606
"1566954"	1058.288406	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+K-2H"	36.948606
"953746"	1066.337994	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-H+HCOOH"	44.998194
"376335"	2087.677801	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+HCOOH-H"	44.998201
"355847"	2101.693451	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+Hac-H"	59.013851
"1501396"	1080.353651	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Hac-H"	59.013851
"968573"	1088.319951	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-H+NaCOOH"	66.980151
"122220"	1056.309202	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+2Cl"	69.938804
"562875"	1566.979102	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+2Cl"	69.938804
"1031681"	545.639302	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2Cl"	69.938804
"1251988"	1100.258685	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Br"	78.918885
"1313709"	1102.314672	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Cl+HCOOH"	80.974872
"1330110"	1124.296629	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Cl+NaCOOH"	102.956829
"921170"	1134.325386	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M-H+CF3COOH"	112.985586
"1293505"	1170.302064	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Cl+CF3COOH"	148.962264
"1376040"	986.327124	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H-2H2O"	-35.012676
"1395359"	1004.3371	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H-H2O"	-17.0027
"297479"	2043.686876	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+H"	1.007276
"686741"	3065.026676	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+H"	1.007276
"1364182"	1022.347076	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H"	1.007276
"139989"	1022.347076	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+2H"	2.014552
"579793"	1533.016976	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+2H"	2.014552
"1051507"	511.677176	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2H"	2.014552
"217341"	681.900476	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+3H"	3.021828
"657509"	1022.347076	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+3H"	3.021828
"1175026"	341.453876	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+3H"	3.021828
"437207"	2060.713423	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+NH4"	18.033823
"789820"	3082.053223	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+NH4"	18.033823
"1689434"	1039.373623	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+NH4"	18.033823
"335525"	1030.8603495	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+H+NH4"	19.041099
"732319"	1541.5302495	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+H+NH4"	19.041099
"1487232"	520.1904495	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H+NH4"	19.041099
"403725"	2065.668818	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+Na"	22.989218
"765814"	3087.008618	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+Na"	22.989218
"1615009"	1044.329018	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Na"	22.989218
"326868"	1033.338047	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+H+Na"	23.996494
"721968"	1544.007947	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+H+Na"	23.996494
"1475790"	522.668147	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H+Na"	23.996494
"1067459"	348.78119	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2H+Na"	25.00377
"1267309"	1054.373286	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+CH3OH+H"	33.033486
"388071"	2081.642758	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+K"	38.963158
"749067"	3102.982558	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+K"	38.963158
"1550025"	1060.302958	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+K"	38.963158
"311214"	1041.325017	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+H+K"	39.970434
"702906"	1551.994917	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+H+K"	39.970434
"1458553"	530.655117	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H+K"	39.970434
"245334"	2084.713426	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+ACN+H"	42.033826
"1220223"	1063.373626	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+ACN+H"	42.033826
"1205567"	532.190451	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+ACN+2H"	43.041102
"194789"	2087.65076	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+2Na-H"	44.97116
"633255"	3108.99056	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+2Na-H"	44.97116
"1134575"	1066.31096	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2Na-H"	44.97116
"184426"	1044.329018	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+2Na"	45.978436
"621799"	1554.998918	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+2Na"	45.978436
"1126402"	533.659118	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2Na"	45.978436
"1409560"	356.108504	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H+2Na"	46.985712
"1439857"	1068.352546	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H+HCOOH"	47.012746
"232833"	1049.36204	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+3H2O+2H"	56.04448
"1520895"	1082.40459	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+IsoProp+H"	61.06479
"420218"	1052.315988	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+Na+K"	61.952376
"781579"	1562.985888	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+Na+K"	61.952376
"1669160"	541.646088	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Na+K"	61.952376
"261148"	2106.695368	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+ACN+Na"	64.015768
"1238233"	1085.355568	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+ACN+Na"	64.015768
"1726026"	1085.379093	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+NH4+HCOOH"	64.039293
"1192472"	363.435818	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+3Na"	68.967654
"1665040"	1090.334488	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Na+HCOOH"	68.994688
"171052"	2119.59864	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+2K-H"	76.91904
"610854"	3140.93844	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+2K-H"	76.91904
"1098650"	1098.25884	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2K-H"	76.91904
"155233"	1060.302958	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"2M+2K"	77.926316
"594059"	1570.972858	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"3M+2K"	77.926316
"1083554"	549.633058	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2K"	77.926316
"1112511"	1100.273392	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2K+H"	78.933592
"1348896"	1100.361007	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+DMSO+H"	79.021207
"1016698"	1104.400176	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2ACN+H"	83.060376
"1537009"	1105.393808	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+IsoProp+Na+H"	84.054008
"997988"	552.703726	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+2ACN+2H"	84.067652
"1591399"	1106.308428	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+K+HCOOH"	84.968628
"1422527"	1136.339938	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+H+CF3COOH"	115.000138
"1155001"	573.217001	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+3ACN+2H"	125.094202
"1706740"	1153.366485	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+NH4+CF3COOH"	132.026685
"1644577"	1158.32188	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+Na+CF3COOH"	136.98208
"1574760"	1174.29582	"C05258"	"(S)-3-Hydroxyhexadecanoyl-CoA"	"C37H66N7O18P3S"	"1021.3398"	"M+K+CF3COOH"	152.95602
"805127"	1019.3241	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M"	0
"989402"	1000.30571	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-H2O-H"	-19.01839
"77840"	678.542124	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M-3H"	-3.021828
"516315"	1018.316824	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M-3H"	-3.021828
"895252"	338.767424	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-3H"	-3.021828
"15282"	1018.316824	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M-2H"	-2.014552
"452246"	1527.978874	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M-2H"	-2.014552
"830046"	508.654774	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-2H"	-2.014552
"87850"	2037.640924	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M-H"	-1.007276
"530692"	3056.965024	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M-H"	-1.007276
"907401"	1018.316824	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-H"	-1.007276
"62025"	2054.667471	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M-2H+NH4"	16.019271
"492597"	3073.991571	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M-2H+NH4"	16.019271
"873680"	1035.343371	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-2H+NH4"	16.019271
"38300"	2059.622866	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M-2H+Na"	20.974666
"482235"	3078.946966	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M-2H+Na"	20.974666
"856756"	1040.298766	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-2H+Na"	20.974666
"1629575"	1040.298766	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Na-2H"	20.974666
"109273"	1036.305163	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M-H+Cl"	33.962126
"548713"	1545.967213	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M-H+Cl"	33.962126
"941741"	526.643113	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-H+Cl"	33.962126
"281022"	2073.617602	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+Cl"	34.969402
"675149"	3092.941702	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+Cl"	34.969402
"1285844"	1054.293502	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Cl"	34.969402
"29129"	2075.596806	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M-2H+K"	36.948606
"469054"	3094.920906	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M-2H+K"	36.948606
"842483"	1056.272706	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-2H+K"	36.948606
"1561596"	1056.272706	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+K-2H"	36.948606
"951668"	1064.322294	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-H+HCOOH"	44.998194
"372069"	2083.646401	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+HCOOH-H"	44.998201
"360330"	2097.662051	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+Hac-H"	59.013851
"1501505"	1078.337951	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Hac-H"	59.013851
"966860"	1086.304251	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-H+NaCOOH"	66.980151
"121602"	1054.293502	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+2Cl"	69.938804
"561163"	1563.955552	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+2Cl"	69.938804
"1030697"	544.631452	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2Cl"	69.938804
"1249183"	1098.242985	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Br"	78.918885
"1311633"	1100.298972	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Cl+HCOOH"	80.974872
"1325848"	1122.280929	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Cl+NaCOOH"	102.956829
"920187"	1132.309686	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M-H+CF3COOH"	112.985586
"1296895"	1168.286364	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Cl+CF3COOH"	148.962264
"1372870"	984.311424	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H-2H2O"	-35.012676
"1392553"	1002.3214	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H-H2O"	-17.0027
"298073"	2039.655476	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+H"	1.007276
"689034"	3058.979576	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+H"	1.007276
"1365020"	1020.331376	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H"	1.007276
"139734"	1020.331376	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+2H"	2.014552
"578930"	1529.993426	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+2H"	2.014552
"1048458"	510.669326	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2H"	2.014552
"216723"	680.556676	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+3H"	3.021828
"657375"	1020.331376	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+3H"	3.021828
"1174042"	340.781976	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+3H"	3.021828
"436588"	2056.682023	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+NH4"	18.033823
"791024"	3076.006123	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+NH4"	18.033823
"1689543"	1037.357923	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+NH4"	18.033823
"335635"	1028.8446495	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+H+NH4"	19.041099
"732429"	1538.5066995	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+H+NH4"	19.041099
"1487342"	519.1825995	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H+NH4"	19.041099
"403835"	2061.637418	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+Na"	22.989218
"765924"	3080.961518	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+Na"	22.989218
"1615848"	1042.313318	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Na"	22.989218
"324062"	1031.322347	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+H+Na"	23.996494
"714297"	1540.984397	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+H+Na"	23.996494
"1471399"	521.660297	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H+Na"	23.996494
"1068052"	348.10929	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2H+Na"	25.00377
"1269605"	1052.357586	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+CH3OH+H"	33.033486
"388181"	2077.611358	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+K"	38.963158
"751363"	3096.935458	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+K"	38.963158
"1551228"	1058.287258	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+K"	38.963158
"311323"	1039.309317	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+H+K"	39.970434
"703745"	1548.971367	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+H+K"	39.970434
"1460484"	529.647267	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H+K"	39.970434
"247625"	2080.682026	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+ACN+H"	42.033826
"1221426"	1061.357926	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+ACN+H"	42.033826
"1206769"	531.182601	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+ACN+2H"	43.041102
"193805"	2083.61936	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+2Na-H"	44.97116
"629233"	3102.94346	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+2Na-H"	44.97116
"1135778"	1064.29526	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2Na-H"	44.97116
"184536"	1042.313318	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+2Na"	45.978436
"621909"	1551.975368	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+2Na"	45.978436
"1127606"	532.651268	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2Na"	45.978436
"1407847"	355.436604	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H+2Na"	46.985712
"1438873"	1066.336846	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H+HCOOH"	47.012746
"232942"	1047.34634	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+3H2O+2H"	56.04448
"1521005"	1080.38889	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+IsoProp+H"	61.06479
"421786"	1050.300288	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+Na+K"	61.952376
"782783"	1559.962338	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+Na+K"	61.952376
"1669270"	540.638238	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Na+K"	61.952376
"262351"	2102.663968	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+ACN+Na"	64.015768
"1236156"	1083.339868	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+ACN+Na"	64.015768
"1724678"	1083.363393	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+NH4+HCOOH"	64.039293
"1189301"	362.763918	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+3Na"	68.967654
"1664300"	1088.318788	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Na+HCOOH"	68.994688
"169339"	2115.56724	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+2K-H"	76.91904
"610600"	3134.89134	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+2K-H"	76.91904
"1097788"	1096.24314	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2K-H"	76.91904
"155824"	1058.287258	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"2M+2K"	77.926316
"596357"	1567.949308	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"3M+2K"	77.926316
"1083299"	548.625208	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2K"	77.926316
"1111890"	1098.257692	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2K+H"	78.933592
"1349007"	1098.345307	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+DMSO+H"	79.021207
"1015712"	1102.384476	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2ACN+H"	83.060376
"1536024"	1103.378108	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+IsoProp+Na+H"	84.054008
"997004"	551.695876	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+2ACN+2H"	84.067652
"1591509"	1104.292728	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+K+HCOOH"	84.968628
"1422637"	1134.324238	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+H+CF3COOH"	115.000138
"1155111"	572.209151	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+3ACN+2H"	125.094202
"1704663"	1151.350785	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+NH4+CF3COOH"	132.026685
"1644687"	1156.30618	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+Na+CF3COOH"	136.98208
"1574870"	1172.28012	"C05259"	"3-Oxopalmitoyl-CoA;3-Ketopalmitoyl-CoA;3-Oxohexadecanoyl-CoA"	"C37H64N7O18P3S"	"1019.3241"	"M+K+CF3COOH"	152.95602
"808517"	993.3085	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M"	0
"989663"	974.29011	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-H2O-H"	-19.01839
"77910"	661.198390666667	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M-3H"	-3.021828
"518249"	992.301224	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M-3H"	-3.021828
"895326"	330.095557333333	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-3H"	-3.021828
"14498"	992.301224	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M-2H"	-2.014552
"454543"	1488.955474	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M-2H"	-2.014552
"829063"	495.646974	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-2H"	-2.014552
"87960"	1985.609724	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M-H"	-1.007276
"531895"	2978.918224	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M-H"	-1.007276
"903136"	992.301224	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-H"	-1.007276
"60550"	2002.636271	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M-2H+NH4"	16.019271
"489427"	2995.944771	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M-2H+NH4"	16.019271
"870510"	1009.327771	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-2H+NH4"	16.019271
"38410"	2007.591666	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M-2H+Na"	20.974666
"481251"	3000.900166	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M-2H+Na"	20.974666
"856864"	1014.283166	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-2H+Na"	20.974666
"1630414"	1014.283166	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Na-2H"	20.974666
"108771"	1010.289563	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M-H+Cl"	33.962126
"549430"	1506.943813	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M-H+Cl"	33.962126
"941480"	513.635313	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-H+Cl"	33.962126
"281130"	2021.586402	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+Cl"	34.969402
"671729"	3014.894902	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+Cl"	34.969402
"1284131"	1028.277902	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Cl"	34.969402
"27413"	2023.565606	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M-2H+K"	36.948606
"467342"	3016.874106	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M-2H+K"	36.948606
"842593"	1030.257106	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-2H+K"	36.948606
"1563892"	1030.257106	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+K-2H"	36.948606
"951778"	1038.306694	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-H+HCOOH"	44.998194
"372908"	2031.615201	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+HCOOH-H"	44.998201
"358618"	2045.630851	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+Hac-H"	59.013851
"1503438"	1052.322351	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Hac-H"	59.013851
"966970"	1060.288651	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-H+NaCOOH"	66.980151
"121712"	1028.277902	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+2Cl"	69.938804
"561273"	1524.932152	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+2Cl"	69.938804
"1026433"	531.623652	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2Cl"	69.938804
"1246012"	1072.227385	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Br"	78.918885
"1309554"	1074.283372	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Cl+HCOOH"	80.974872
"1324863"	1096.265329	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Cl+NaCOOH"	102.956829
"917014"	1106.294086	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M-H+CF3COOH"	112.985586
"1293721"	1142.270764	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Cl+CF3COOH"	148.962264
"1372978"	958.295824	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H-2H2O"	-35.012676
"1389382"	976.3058	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H-H2O"	-17.0027
"293442"	1987.624276	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+H"	1.007276
"688779"	2980.932776	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+H"	1.007276
"1364766"	994.315776	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H"	1.007276
"139839"	994.315776	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+2H"	2.014552
"579400"	1490.970026	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+2H"	2.014552
"1046376"	497.661526	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2H"	2.014552
"212452"	663.212942666667	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+3H"	3.021828
"650921"	994.315776	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+3H"	3.021828
"1172326"	332.110109333333	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+3H"	3.021828
"430136"	2004.650823	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+NH4"	18.033823
"792228"	2997.959323	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+NH4"	18.033823
"1686373"	1011.342323	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+NH4"	18.033823
"335745"	1002.8290495	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+H+NH4"	19.041099
"732539"	1499.4832995	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+H+NH4"	19.041099
"1487452"	506.1747995	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H+NH4"	19.041099
"403945"	2009.606218	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+Na"	22.989218
"764941"	3002.914718	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+Na"	22.989218
"1617051"	1016.297718	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Na"	22.989218
"325265"	1005.306747	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+H+Na"	23.996494
"715500"	1501.960997	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+H+Na"	23.996494
"1472602"	508.652497	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H+Na"	23.996494
"1068288"	339.437423333333	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2H+Na"	25.00377
"1269715"	1026.341986	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+CH3OH+H"	33.033486
"390477"	2025.580158	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+K"	38.963158
"751473"	3018.888658	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+K"	38.963158
"1551338"	1032.271658	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+K"	38.963158
"312526"	1013.293717	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+H+K"	39.970434
"706406"	1509.947967	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+H+K"	39.970434
"1460593"	516.639467	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H+K"	39.970434
"249920"	2028.650826	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+ACN+H"	42.033826
"1222629"	1035.342326	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+ACN+H"	42.033826
"1204328"	518.174801	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+ACN+2H"	43.041102
"195008"	2031.58816	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+2Na-H"	44.97116
"630192"	3024.89666	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+2Na-H"	44.97116
"1139168"	1038.27966	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2Na-H"	44.97116
"181366"	1016.297718	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+2Na"	45.978436
"622019"	1512.951968	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+2Na"	45.978436
"1124435"	519.643468	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2Na"	45.978436
"1407957"	346.764737333333	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H+2Na"	46.985712
"1438982"	1040.321246	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H+HCOOH"	47.012746
"233417"	1021.33074	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+3H2O+2H"	56.04448
"1521115"	1054.37329	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+IsoProp+H"	61.06479
"421531"	1024.284688	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+Na+K"	61.952376
"779611"	1520.938938	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+Na+K"	61.952376
"1669380"	527.630438	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Na+K"	61.952376
"260273"	2050.632768	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+ACN+Na"	64.015768
"1237357"	1057.324268	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+ACN+Na"	64.015768
"1726611"	1057.347793	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+NH4+HCOOH"	64.039293
"1190504"	354.092051333333	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+3Na"	68.967654
"1663678"	1062.303188	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Na+HCOOH"	68.994688
"172568"	2063.53604	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+2K-H"	76.91904
"611925"	3056.84454	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+2K-H"	76.91904
"1099482"	1070.22754	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2K-H"	76.91904
"155813"	1032.271658	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"2M+2K"	77.926316
"594892"	1528.925908	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"3M+2K"	77.926316
"1082680"	535.617408	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2K"	77.926316
"1110908"	1072.242092	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2K+H"	78.933592
"1348025"	1072.329707	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+DMSO+H"	79.021207
"1014730"	1076.368876	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2ACN+H"	83.060376
"1535041"	1077.362508	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+IsoProp+Na+H"	84.054008
"993834"	538.688076	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+2ACN+2H"	84.067652
"1591619"	1078.277128	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+K+HCOOH"	84.968628
"1417280"	1108.308638	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+H+CF3COOH"	115.000138
"1151941"	559.201351	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+3ACN+2H"	125.094202
"1701493"	1125.335185	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+NH4+CF3COOH"	132.026685
"1644797"	1130.29058	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+Na+CF3COOH"	136.98208
"1574980"	1146.26452	"C05260"	"(S)-3-Hydroxytetradecanoyl-CoA"	"C35H62N7O18P3S"	"993.3085"	"M+K+CF3COOH"	152.95602
"805347"	991.2928	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M"	0
"989713"	972.27441	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-H2O-H"	-19.01839
"76967"	659.854590666667	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M-3H"	-3.021828
"518512"	990.285524	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M-3H"	-3.021828
"894330"	329.423657333333	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-3H"	-3.021828
"11811"	990.285524	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M-2H"	-2.014552
"451372"	1485.931924	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M-2H"	-2.014552
"828081"	494.639124	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-2H"	-2.014552
"88071"	1981.578324	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M-H"	-1.007276
"528724"	2972.871124	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M-H"	-1.007276
"903246"	990.285524	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-H"	-1.007276
"58716"	1998.604871	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M-2H+NH4"	16.019271
"492817"	2989.897671	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M-2H+NH4"	16.019271
"877182"	1007.312071	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-2H+NH4"	16.019271
"42895"	2003.560266	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M-2H+Na"	20.974666
"482454"	2994.853066	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M-2H+Na"	20.974666
"858068"	1012.267466	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-2H+Na"	20.974666
"1628698"	1012.267466	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Na-2H"	20.974666
"109569"	1008.273863	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M-H+Cl"	33.962126
"549920"	1503.920263	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M-H+Cl"	33.962126
"942757"	512.627463	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-H+Cl"	33.962126
"282828"	2017.555002	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+Cl"	34.969402
"675408"	3008.847802	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+Cl"	34.969402
"1288440"	1026.262202	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Cl"	34.969402
"28984"	2019.534206	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M-2H+K"	36.948606
"471380"	3010.827006	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M-2H+K"	36.948606
"844890"	1028.241406	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-2H+K"	36.948606
"1561817"	1028.241406	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+K-2H"	36.948606
"953711"	1036.290994	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-H+HCOOH"	44.998194
"377101"	2027.583801	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+HCOOH-H"	44.998201
"359456"	2041.599451	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+Hac-H"	59.013851
"1503914"	1050.306651	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Hac-H"	59.013851
"962706"	1058.272951	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-H+NaCOOH"	66.980151
"120362"	1026.262202	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+2Cl"	69.938804
"561018"	1521.908602	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+2Cl"	69.938804
"1030917"	530.615802	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2Cl"	69.938804
"1247215"	1070.211685	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Br"	78.918885
"1314037"	1072.267672	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Cl+HCOOH"	80.974872
"1328253"	1094.249629	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Cl+NaCOOH"	102.956829
"925143"	1104.278386	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M-H+CF3COOH"	112.985586
"1297112"	1140.255064	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Cl+CF3COOH"	148.962264
"1379648"	956.280124	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H-2H2O"	-35.012676
"1389492"	974.2901	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H-H2O"	-17.0027
"295741"	1983.592876	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+H"	1.007276
"687067"	2974.885676	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+H"	1.007276
"1365968"	992.300076	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H"	1.007276
"138496"	992.300076	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+2H"	2.014552
"578054"	1487.946476	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+2H"	2.014552
"1049039"	496.653676	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2H"	2.014552
"216577"	661.869142666667	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+3H"	3.021828
"656137"	992.300076	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+3H"	3.021828
"1172440"	331.438209333333	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+3H"	3.021828
"436442"	2000.619423	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+NH4"	18.033823
"793430"	2991.912223	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+NH4"	18.033823
"1686847"	1009.326623	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+NH4"	18.033823
"336219"	1000.8133495	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+H+NH4"	19.041099
"732649"	1496.4597495	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+H+NH4"	19.041099
"1488657"	505.1669495	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H+NH4"	19.041099
"402963"	2005.574818	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+Na"	22.989218
"767238"	2996.867618	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+Na"	22.989218
"1618132"	1014.282018	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Na"	22.989218
"318083"	1003.291047	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+H+Na"	23.996494
"711235"	1498.937447	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+H+Na"	23.996494
"1472712"	507.644647	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H+Na"	23.996494
"1067303"	338.765523333333	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2H+Na"	25.00377
"1271652"	1024.326286	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+CH3OH+H"	33.033486
"390954"	2021.548758	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+K"	38.963158
"752316"	3012.841558	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+K"	38.963158
"1553638"	1030.255958	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+K"	38.963158
"312273"	1011.278017	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+H+K"	39.970434
"702146"	1506.924417	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+H+K"	39.970434
"1455602"	515.631617	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H+K"	39.970434
"247844"	2024.619426	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+ACN+H"	42.033826
"1219460"	1033.326626	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+ACN+H"	42.033826
"1201156"	517.166951	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+ACN+2H"	43.041102
"195119"	2027.55676	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+2Na-H"	44.97116
"630305"	3018.84956	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+2Na-H"	44.97116
"1132718"	1036.26396	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2Na-H"	44.97116
"178196"	1014.282018	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+2Na"	45.978436
"622130"	1509.928418	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+2Na"	45.978436
"1125638"	518.635618	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2Na"	45.978436
"1406244"	346.092837333333	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H+2Na"	46.985712
"1441280"	1038.305546	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H+HCOOH"	47.012746
"233162"	1019.31504	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+3H2O+2H"	56.04448
"1517944"	1052.35759	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+IsoProp+H"	61.06479
"419818"	1022.268988	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+Na+K"	61.952376
"779721"	1517.915388	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+Na+K"	61.952376
"1670583"	526.622588	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Na+K"	61.952376
"262571"	2046.601368	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+ACN+Na"	64.015768
"1236374"	1055.308568	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+ACN+Na"	64.015768
"1724167"	1055.332093	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+NH4+HCOOH"	64.039293
"1189521"	353.420151333333	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+3Na"	68.967654
"1665129"	1060.287488	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Na+HCOOH"	68.994688
"172110"	2059.50464	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+2K-H"	76.91904
"611305"	3050.79744	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+2K-H"	76.91904
"1098988"	1068.21184	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2K-H"	76.91904
"156895"	1030.255958	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"2M+2K"	77.926316
"594397"	1525.902358	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"3M+2K"	77.926316
"1082792"	534.609558	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2K"	77.926316
"1111017"	1070.226392	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2K+H"	78.933592
"1347404"	1070.314007	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+DMSO+H"	79.021207
"1015932"	1074.353176	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2ACN+H"	83.060376
"1539039"	1075.346808	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+IsoProp+Na+H"	84.054008
"995037"	537.680226	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+2ACN+2H"	84.067652
"1591729"	1076.261428	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+K+HCOOH"	84.968628
"1419577"	1106.292938	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+H+CF3COOH"	115.000138
"1153144"	558.193501	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+3ACN+2H"	125.094202
"1700510"	1123.319485	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+NH4+CF3COOH"	132.026685
"1646000"	1128.27488	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+Na+CF3COOH"	136.98208
"1573996"	1144.24882	"C05261"	"3-Oxotetradecanoyl-CoA"	"C35H60N7O18P3S"	"991.2928"	"M+K+CF3COOH"	152.95602
"805457"	965.2772	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M"	0
"982270"	946.25881	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-H2O-H"	-19.01839
"77077"	642.510857333333	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M-3H"	-3.021828
"516639"	964.269924	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M-3H"	-3.021828
"891160"	320.751790666667	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-3H"	-3.021828
"11921"	964.269924	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M-2H"	-2.014552
"450388"	1446.908524	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M-2H"	-2.014552
"826004"	481.631324	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-2H"	-2.014552
"81621"	1929.547124	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M-H"	-1.007276
"522273"	2894.824324	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M-H"	-1.007276
"903356"	964.269924	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-H"	-1.007276
"58825"	1946.573671	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M-2H+NH4"	16.019271
"491830"	2911.850871	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M-2H+NH4"	16.019271
"876928"	981.296471	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-2H+NH4"	16.019271
"40818"	1951.529066	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M-2H+Na"	20.974666
"482200"	2916.806266	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M-2H+Na"	20.974666
"858178"	986.251866	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-2H+Na"	20.974666
"1632088"	986.251866	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Na-2H"	20.974666
"109354"	982.258263	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M-H+Cl"	33.962126
"549566"	1464.896863	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M-H+Cl"	33.962126
"941947"	499.619663	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-H+Cl"	33.962126
"282651"	1965.523802	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+Cl"	34.969402
"675632"	2930.801002	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+Cl"	34.969402
"1288124"	1000.246602	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Cl"	34.969402
"31166"	1967.503006	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M-2H+K"	36.948606
"471137"	2932.780206	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M-2H+K"	36.948606
"848270"	1002.225806	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-2H+K"	36.948606
"1567395"	1002.225806	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+K-2H"	36.948606
"955644"	1010.275394	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-H+HCOOH"	44.998194
"376412"	1975.552601	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+HCOOH-H"	44.998201
"358108"	1989.568251	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+Hac-H"	59.013851
"1506211"	1024.291051	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Hac-H"	59.013851
"972660"	1032.257351	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-H+NaCOOH"	66.980151
"117192"	1000.246602	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+2Cl"	69.938804
"560033"	1482.885202	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+2Cl"	69.938804
"1025560"	517.608002	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2Cl"	69.938804
"1248419"	1044.196085	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Br"	78.918885
"1306494"	1046.252072	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Cl+HCOOH"	80.974872
"1322896"	1068.234029	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Cl+NaCOOH"	102.956829
"912253"	1078.262786	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M-H+CF3COOH"	112.985586
"1297223"	1114.239464	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Cl+CF3COOH"	148.962264
"1376477"	930.264524	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H-2H2O"	-35.012676
"1395068"	948.2745	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H-H2O"	-17.0027
"290382"	1931.561676	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+H"	1.007276
"683897"	2896.838876	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+H"	1.007276
"1363527"	966.284476	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H"	1.007276
"139697"	966.284476	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+2H"	2.014552
"578163"	1448.923076	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+2H"	2.014552
"1048056"	483.645876	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2H"	2.014552
"212676"	644.525409333333	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+3H"	3.021828
"654423"	966.284476	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+3H"	3.021828
"1174737"	322.766342666667	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+3H"	3.021828
"433636"	1948.588223	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+NH4"	18.033823
"794635"	2913.865423	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+NH4"	18.033823
"1686592"	983.311023	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+NH4"	18.033823
"336328"	974.7977495	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+H+NH4"	19.041099
"732759"	1457.4363495	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+H+NH4"	19.041099
"1485487"	492.1591495	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H+NH4"	19.041099
"399793"	1953.543618	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+Na"	22.989218
"765162"	2918.820818	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+Na"	22.989218
"1608886"	988.266418	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Na"	22.989218
"316369"	977.275447	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+H+Na"	23.996494
"714627"	1459.914047	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+H+Na"	23.996494
"1472822"	494.636847	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H+Na"	23.996494
"1067532"	330.093656666667	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2H+Na"	25.00377
"1270304"	998.310686	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+CH3OH+H"	33.033486
"390336"	1969.517558	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+K"	38.963158
"748417"	2934.794758	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+K"	38.963158
"1551927"	1004.240358	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+K"	38.963158
"308739"	985.262417	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+H+K"	39.970434
"702256"	1467.901017	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+H+K"	39.970434
"1456804"	502.623817	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H+K"	39.970434
"249413"	1972.588226	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+ACN+H"	42.033826
"1220302"	1007.311026	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+ACN+H"	42.033826
"1202362"	504.159151	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+ACN+2H"	43.041102
"196323"	1975.52556	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+2Na-H"	44.97116
"634788"	2940.80276	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+2Na-H"	44.97116
"1136108"	1010.24836	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2Na-H"	44.97116
"173201"	988.266418	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+2Na"	45.978436
"620054"	1470.905018	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+2Na"	45.978436
"1129760"	505.627818	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2Na"	45.978436
"1409273"	337.420970666667	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H+2Na"	46.985712
"1443577"	1012.289946	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H+HCOOH"	47.012746
"233272"	993.29944	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+3H2O+2H"	56.04448
"1520241"	1026.34199	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+IsoProp+H"	61.06479
"419928"	996.253388	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+Na+K"	61.952376
"776550"	1478.891988	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+Na+K"	61.952376
"1668503"	513.614788	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Na+K"	61.952376
"258306"	1994.570168	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+ACN+Na"	64.015768
"1230648"	1029.292968	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+ACN+Na"	64.015768
"1718807"	1029.316493	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+NH4+HCOOH"	64.039293
"1189631"	344.748284666667	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+3Na"	68.967654
"1663534"	1034.271888	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Na+HCOOH"	68.994688
"171734"	2007.47344	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+2K-H"	76.91904
"607040"	2972.75064	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+2K-H"	76.91904
"1099790"	1042.19624	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2K-H"	76.91904
"156883"	1004.240358	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"2M+2K"	77.926316
"594505"	1486.878958	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"3M+2K"	77.926316
"1081812"	521.601758	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2K"	77.926316
"1110037"	1044.210792	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2K+H"	78.933592
"1349336"	1044.298407	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+DMSO+H"	79.021207
"1017136"	1048.337576	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2ACN+H"	83.060376
"1537446"	1049.331208	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+IsoProp+Na+H"	84.054008
"995147"	524.672426	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+2ACN+2H"	84.067652
"1594025"	1050.245828	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+K+HCOOH"	84.968628
"1418594"	1080.277338	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+H+CF3COOH"	115.000138
"1153254"	545.185701	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+3ACN+2H"	125.094202
"1706087"	1097.303885	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+NH4+CF3COOH"	132.026685
"1646110"	1102.25928	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+Na+CF3COOH"	136.98208
"1574106"	1118.23322	"C05262"	"(S)-3-Hydroxydodecanoyl-CoA"	"C33H58N7O18P3S"	"965.2772"	"M+K+CF3COOH"	152.95602
"805567"	963.2615	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M"	0
"982380"	944.24311	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-H2O-H"	-19.01839
"77187"	641.167057333333	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M-3H"	-3.021828
"514562"	962.254224	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M-3H"	-3.021828
"891270"	320.079890666667	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-3H"	-3.021828
"8751"	962.254224	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M-2H"	-2.014552
"448309"	1443.884974	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M-2H"	-2.014552
"828299"	480.623474	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-2H"	-2.014552
"85011"	1925.515724	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M-H"	-1.007276
"523476"	2888.777224	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M-H"	-1.007276
"903466"	962.254224	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-H"	-1.007276
"56750"	1942.542271	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M-2H+NH4"	16.019271
"488173"	2905.803771	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M-2H+NH4"	16.019271
"875214"	979.280771	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-2H+NH4"	16.019271
"43480"	1947.497666	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M-2H+Na"	20.974666
"481946"	2910.759166	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M-2H+Na"	20.974666
"859381"	984.236166	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-2H+Na"	20.974666
"1630741"	984.236166	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Na-2H"	20.974666
"108736"	980.242563	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M-H+Cl"	33.962126
"548784"	1461.873313	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M-H+Cl"	33.962126
"941935"	498.611813	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-H+Cl"	33.962126
"282195"	1961.492402	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+Cl"	34.969402
"674495"	2924.753902	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+Cl"	34.969402
"1287954"	998.230902	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Cl"	34.969402
"31078"	1963.471606	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M-2H+K"	36.948606
"470714"	2926.733106	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M-2H+K"	36.948606
"846205"	1000.210106	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-2H+K"	36.948606
"1567141"	1000.210106	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+K-2H"	36.948606
"955753"	1008.259694	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-H+HCOOH"	44.998194
"373240"	1971.521201	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+HCOOH-H"	44.998201
"360404"	1985.536851	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+Hac-H"	59.013851
"1507414"	1022.275351	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Hac-H"	59.013851
"969853"	1030.241651	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-H+NaCOOH"	66.980151
"116208"	998.230902	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+2Cl"	69.938804
"559051"	1479.861652	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+2Cl"	69.938804
"1024577"	516.600152	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2Cl"	69.938804
"1246342"	1042.180385	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Br"	78.918885
"1308791"	1044.236372	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Cl+HCOOH"	80.974872
"1325193"	1066.218329	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Cl+NaCOOH"	102.956829
"916252"	1076.247086	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M-H+CF3COOH"	112.985586
"1299520"	1112.223764	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Cl+CF3COOH"	148.962264
"1379503"	928.248824	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H-2H2O"	-35.012676
"1392991"	946.2588	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H-H2O"	-17.0027
"287212"	1927.530276	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+H"	1.007276
"686194"	2890.791776	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+H"	1.007276
"1363637"	964.268776	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H"	1.007276
"137619"	964.268776	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+2H"	2.014552
"577181"	1445.899526	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+2H"	2.014552
"1048166"	482.638026	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2H"	2.014552
"214972"	643.181609333333	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+3H"	3.021828
"656356"	964.268776	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+3H"	3.021828
"1174846"	322.094442666667	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+3H"	3.021828
"433746"	1944.556823	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+NH4"	18.033823
"799118"	2907.818323	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+NH4"	18.033823
"1686702"	981.295323	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+NH4"	18.033823
"334251"	972.7820495	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+H+NH4"	19.041099
"726673"	1454.4127995	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+H+NH4"	19.041099
"1484504"	491.1512995	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H+NH4"	19.041099
"399903"	1949.512218	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+Na"	22.989218
"765272"	2912.773718	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+Na"	22.989218
"1608996"	986.250718	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Na"	22.989218
"316115"	975.259747	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+H+Na"	23.996494
"709631"	1456.890497	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+H+Na"	23.996494
"1471839"	493.628997	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H+Na"	23.996494
"1067277"	329.421756666667	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2H+Na"	25.00377
"1270779"	996.294986	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+CH3OH+H"	33.033486
"390084"	1965.486158	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+K"	38.963158
"750349"	2928.747658	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+K"	38.963158
"1551308"	1002.224658	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+K"	38.963158
"311035"	983.246717	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+H+K"	39.970434
"702362"	1464.877467	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+H+K"	39.970434
"1459098"	501.615967	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H+K"	39.970434
"248795"	1968.556826	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+ACN+H"	42.033826
"1221139"	1005.295326	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+ACN+H"	42.033826
"1206111"	503.151301	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+ACN+2H"	43.041102
"196433"	1971.49416	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+2Na-H"	44.97116
"635991"	2934.75566	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+2Na-H"	44.97116
"1136218"	1008.23266	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2Na-H"	44.97116
"179509"	986.250718	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+2Na"	45.978436
"625268"	1467.881468	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+2Na"	45.978436
"1126591"	504.619968	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2Na"	45.978436
"1407928"	336.749070666667	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H+2Na"	46.985712
"1439679"	1010.274246	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H+HCOOH"	47.012746
"231925"	991.28374	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+3H2O+2H"	56.04448
"1517800"	1024.32629	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+IsoProp+H"	61.06479
"418580"	994.237688	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+Na+K"	61.952376
"778482"	1475.868438	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+Na+K"	61.952376
"1666790"	512.606938	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Na+K"	61.952376
"255134"	1990.538768	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+ACN+Na"	64.015768
"1230030"	1027.277268	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+ACN+Na"	64.015768
"1717089"	1027.300793	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+NH4+HCOOH"	64.039293
"1184270"	344.076384666667	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+3Na"	68.967654
"1658538"	1032.256188	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Na+HCOOH"	68.994688
"166494"	2003.44204	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+2K-H"	76.91904
"610432"	2966.70354	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+2K-H"	76.91904
"1097986"	1040.18054	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2K-H"	76.91904
"155658"	1002.224658	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"2M+2K"	77.926316
"594977"	1483.855408	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"3M+2K"	77.926316
"1080218"	520.593908	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2K"	77.926316
"1110145"	1042.195092	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2K+H"	78.933592
"1347988"	1042.282707	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+DMSO+H"	79.021207
"1012872"	1046.321876	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2ACN+H"	83.060376
"1535369"	1047.315508	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+IsoProp+Na+H"	84.054008
"996349"	523.664576	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+2ACN+2H"	84.067652
"1593041"	1048.230128	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+K+HCOOH"	84.968628
"1423075"	1078.261638	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+H+CF3COOH"	115.000138
"1152269"	544.177851	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+3ACN+2H"	125.094202
"1702916"	1095.288185	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+NH4+CF3COOH"	132.026685
"1642940"	1100.24358	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+Na+CF3COOH"	136.98208
"1574216"	1116.21752	"C05263"	"3-Oxododecanoyl-CoA"	"C33H56N7O18P3S"	"963.2615"	"M+K+CF3COOH"	152.95602
"805677"	937.2459	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M"	0
"982490"	918.22751	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-H2O-H"	-19.01839
"77297"	623.823324	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M-3H"	-3.021828
"516859"	936.238624	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M-3H"	-3.021828
"891380"	311.408024	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-3H"	-3.021828
"9954"	936.238624	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M-2H"	-2.014552
"450606"	1404.861574	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M-2H"	-2.014552
"826224"	467.615674	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-2H"	-2.014552
"85121"	1873.484524	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M-H"	-1.007276
"522857"	2810.730424	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M-H"	-1.007276
"903576"	936.238624	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-H"	-1.007276
"59047"	1890.511071	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M-2H+NH4"	16.019271
"489013"	2827.756971	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M-2H+NH4"	16.019271
"875689"	953.265171	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-2H+NH4"	16.019271
"43956"	1895.466466	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M-2H+Na"	20.974666
"482056"	2832.712366	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M-2H+Na"	20.974666
"857305"	958.220566	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-2H+Na"	20.974666
"1631215"	958.220566	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Na-2H"	20.974666
"109586"	954.226963	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M-H+Cl"	33.962126
"549627"	1422.849913	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M-H+Cl"	33.962126
"942167"	485.604013	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-H+Cl"	33.962126
"282184"	1909.461202	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+Cl"	34.969402
"675096"	2846.707102	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+Cl"	34.969402
"1288107"	972.215302	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Cl"	34.969402
"31328"	1911.440406	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M-2H+K"	36.948606
"470829"	2848.686306	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M-2H+K"	36.948606
"847047"	974.194506	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-2H+K"	36.948606
"1567980"	974.194506	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+K-2H"	36.948606
"955501"	982.244094	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-H+HCOOH"	44.998194
"374079"	1919.490001	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+HCOOH-H"	44.998201
"359057"	1933.505651	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+Hac-H"	59.013851
"1507162"	996.259751	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Hac-H"	59.013851
"968871"	1004.226051	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-H+NaCOOH"	66.980151
"122882"	972.215302	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+2Cl"	69.938804
"560619"	1440.838252	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+2Cl"	69.938804
"1035622"	503.592352	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2Cl"	69.938804
"1253743"	1016.164785	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Br"	78.918885
"1314368"	1018.220772	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Cl+HCOOH"	80.974872
"1327490"	1040.202729	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Cl+NaCOOH"	102.956829
"919642"	1050.231486	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M-H+CF3COOH"	112.985586
"1303562"	1086.208164	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Cl+CF3COOH"	148.962264
"1382711"	902.233224	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H-2H2O"	-35.012676
"1398049"	920.2432	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H-H2O"	-17.0027
"292789"	1875.499076	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+H"	1.007276
"689342"	2812.744976	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+H"	1.007276
"1365813"	938.253176	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H"	1.007276
"137729"	938.253176	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+2H"	2.014552
"579478"	1406.876126	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+2H"	2.014552
"1050462"	469.630226	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2H"	2.014552
"216175"	625.837876	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+3H"	3.021828
"659505"	938.253176	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+3H"	3.021828
"1178199"	313.422576	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+3H"	3.021828
"439323"	1892.525623	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+NH4"	18.033823
"797041"	2829.771523	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+NH4"	18.033823
"1686812"	955.279723	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+NH4"	18.033823
"333633"	946.7664495	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+H+NH4"	19.041099
"727148"	1415.3893995	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+H+NH4"	19.041099
"1484614"	478.1434995	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H+NH4"	19.041099
"402200"	1897.481018	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+Na"	22.989218
"767569"	2834.726918	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+Na"	22.989218
"1612386"	960.235118	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Na"	22.989218
"319506"	949.244147	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+H+Na"	23.996494
"711565"	1417.867097	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+H+Na"	23.996494
"1475229"	480.621197	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H+Na"	23.996494
"1068120"	320.74989	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2H+Na"	25.00377
"1270532"	970.279386	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+CH3OH+H"	33.033486
"392260"	1913.454958	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+K"	38.963158
"753377"	2850.700858	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+K"	38.963158
"1552876"	976.209058	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+K"	38.963158
"311875"	957.231117	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+H+K"	39.970434
"705388"	1425.854067	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+H+K"	39.970434
"1459208"	488.608167	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H+K"	39.970434
"249633"	1916.525626	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+ACN+H"	42.033826
"1222342"	979.279726	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+ACN+H"	42.033826
"1206949"	490.143501	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+ACN+2H"	43.041102
"198730"	1919.46296	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+2Na-H"	44.97116
"640112"	2856.70886	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+2Na-H"	44.97116
"1139608"	982.21706	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2Na-H"	44.97116
"182899"	960.235118	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+2Na"	45.978436
"625016"	1428.858068	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+2Na"	45.978436
"1126701"	491.612168	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2Na"	45.978436
"1410953"	328.077204	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H+2Na"	46.985712
"1439788"	984.258646	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H+HCOOH"	47.012746
"229848"	965.26814	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+3H2O+2H"	56.04448
"1514992"	998.31069	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+IsoProp+H"	61.06479
"415409"	968.222088	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+Na+K"	61.952376
"771664"	1436.845038	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+Na+K"	61.952376
"1666899"	499.599138	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Na+K"	61.952376
"254877"	1938.507568	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+ACN+Na"	64.015768
"1230140"	1001.261668	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+ACN+Na"	64.015768
"1715378"	1001.285193	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+NH4+HCOOH"	64.039293
"1186566"	335.404518	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+3Na"	68.967654
"1657551"	1006.240588	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Na+HCOOH"	68.994688
"166604"	1951.41084	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+2K-H"	76.91904
"612488"	2888.65674	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+2K-H"	76.91904
"1097732"	1014.16494	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2K-H"	76.91904
"155158"	976.209058	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"2M+2K"	77.926316
"594480"	1444.832008	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"3M+2K"	77.926316
"1080695"	507.586108	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2K"	77.926316
"1111713"	1016.179492	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2K+H"	78.933592
"1345547"	1016.267107	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+DMSO+H"	79.021207
"1009702"	1020.306276	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2ACN+H"	83.060376
"1537666"	1021.299908	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+IsoProp+Na+H"	84.054008
"995365"	510.656776	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+2ACN+2H"	84.067652
"1590964"	1022.214528	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+K+HCOOH"	84.968628
"1419905"	1052.246038	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+H+CF3COOH"	115.000138
"1152378"	531.170051	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+3ACN+2H"	125.094202
"1699745"	1069.272585	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+NH4+CF3COOH"	132.026685
"1637582"	1074.22798	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+Na+CF3COOH"	136.98208
"1574326"	1090.20192	"C05264"	"(S)-Hydroxydecanoyl-CoA;(S)-3-Hydroxydecanoyl-CoA"	"C31H54N7O18P3S"	"937.2459"	"M+K+CF3COOH"	152.95602
"805787"	935.2302	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M"	0
"982600"	916.21181	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H2O-H"	-19.01839
"74127"	622.479524	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-3H"	-3.021828
"512595"	934.222924	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-3H"	-3.021828
"891490"	310.736124	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-3H"	-3.021828
"10064"	934.222924	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H"	-2.014552
"448529"	1401.838024	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H"	-2.014552
"823052"	466.607824	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H"	-2.014552
"81951"	1869.453124	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-H"	-1.007276
"522603"	2804.683324	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-H"	-1.007276
"903686"	934.222924	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H"	-1.007276
"56970"	1886.479671	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H+NH4"	16.019271
"487785"	2821.709871	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H+NH4"	16.019271
"877256"	951.249471	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H+NH4"	16.019271
"44065"	1891.435066	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H+Na"	20.974666
"482530"	2826.665266	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H+Na"	20.974666
"858508"	956.204866	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H+Na"	20.974666
"1632053"	956.204866	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na-2H"	20.974666
"109327"	952.211263	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-H+Cl"	33.962126
"549250"	1419.826363	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-H+Cl"	33.962126
"941914"	484.596163	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+Cl"	33.962126
"282171"	1905.429802	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Cl"	34.969402
"674233"	2840.660002	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+Cl"	34.969402
"1287488"	970.199602	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl"	34.969402
"30973"	1907.409006	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H+K"	36.948606
"470333"	2842.639206	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H+K"	36.948606
"847397"	972.178806	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H+K"	36.948606
"1570276"	972.178806	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K-2H"	36.948606
"956705"	980.228394	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+HCOOH"	44.998194
"373460"	1915.458601	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+HCOOH-H"	44.998201
"359531"	1929.474251	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Hac-H"	59.013851
"1506542"	994.244051	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Hac-H"	59.013851
"973240"	1002.210351	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+NaCOOH"	66.980151
"124817"	970.199602	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2Cl"	69.938804
"561457"	1437.814702	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2Cl"	69.938804
"1034640"	502.584502	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2Cl"	69.938804
"1255678"	1014.149085	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Br"	78.918885
"1318853"	1016.205072	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl+HCOOH"	80.974872
"1334160"	1038.187029	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl+NaCOOH"	102.956829
"923032"	1048.215786	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+CF3COOH"	112.985586
"1303752"	1084.192464	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl+CF3COOH"	148.962264
"1382699"	900.217524	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H-2H2O"	-35.012676
"1398240"	918.2275	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H-H2O"	-17.0027
"293993"	1871.467676	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H"	1.007276
"690666"	2806.697876	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H"	1.007276
"1366043"	936.237476	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H"	1.007276
"138932"	936.237476	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2H"	2.014552
"579588"	1403.852576	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2H"	2.014552
"1050572"	468.622376	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2H"	2.014552
"215192"	624.494076	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+3H"	3.021828
"658763"	936.237476	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+3H"	3.021828
"1177740"	312.750676	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+3H"	3.021828
"438705"	1888.494223	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+NH4"	18.033823
"797151"	2823.724423	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+NH4"	18.033823
"1686921"	953.264023	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+NH4"	18.033823
"331919"	944.7507495	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H+NH4"	19.041099
"724826"	1412.3658495	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H+NH4"	19.041099
"1479254"	477.1356495	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+NH4"	19.041099
"401215"	1893.449618	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Na"	22.989218
"760024"	2828.679818	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+Na"	22.989218
"1607756"	958.219418	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na"	22.989218
"318156"	947.228447	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H+Na"	23.996494
"712403"	1414.843547	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H+Na"	23.996494
"1472060"	479.613347	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+Na"	23.996494
"1067498"	320.07799	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2H+Na"	25.00377
"1271006"	968.263686	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+CH3OH+H"	33.033486
"391762"	1909.423558	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+K"	38.963158
"753366"	2844.653758	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+K"	38.963158
"1551892"	974.193358	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K"	38.963158
"310162"	955.215417	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H+K"	39.970434
"704769"	1422.830517	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H+K"	39.970434
"1456402"	487.600317	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+K"	39.970434
"245002"	1912.494226	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+ACN+H"	42.033826
"1220993"	977.264026	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+ACN+H"	42.033826
"1206695"	489.135651	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+ACN+2H"	43.041102
"200660"	1915.43156	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2Na-H"	44.97116
"638399"	2850.66176	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2Na-H"	44.97116
"1139718"	980.20136	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2Na-H"	44.97116
"183009"	958.219418	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2Na"	45.978436
"625855"	1425.834518	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2Na"	45.978436
"1127904"	490.604318	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2Na"	45.978436
"1412156"	327.405304	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+2Na"	46.985712
"1441719"	982.242946	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+HCOOH"	47.012746
"231415"	963.25244	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+3H2O+2H"	56.04448
"1515102"	996.29499	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+IsoProp+H"	61.06479
"412603"	966.206388	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Na+K"	61.952376
"772138"	1433.821488	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+Na+K"	61.952376
"1665916"	498.591288	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na+K"	61.952376
"254258"	1934.476168	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+ACN+Na"	64.015768
"1229885"	999.245968	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+ACN+Na"	64.015768
"1714759"	999.269493	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+NH4+HCOOH"	64.039293
"1184490"	334.732618	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+3Na"	68.967654
"1656568"	1004.224888	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na+HCOOH"	68.994688
"167807"	1947.37944	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2K-H"	76.91904
"600804"	2882.60964	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2K-H"	76.91904
"1096261"	1012.14924	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2K-H"	76.91904
"154171"	974.193358	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2K"	77.926316
"596042"	1441.808458	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2K"	77.926316
"1081533"	506.578258	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2K"	77.926316
"1112187"	1014.163792	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2K+H"	78.933592
"1343470"	1014.251407	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+DMSO+H"	79.021207
"1008718"	1018.290576	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2ACN+H"	83.060376
"1537776"	1019.284208	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+IsoProp+Na+H"	84.054008
"994382"	509.648926	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2ACN+2H"	84.067652
"1589251"	1020.198828	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K+HCOOH"	84.968628
"1420015"	1050.230338	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+CF3COOH"	115.000138
"1153582"	530.162201	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+3ACN+2H"	125.094202
"1703135"	1067.256885	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+NH4+CF3COOH"	132.026685
"1640972"	1072.21228	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na+CF3COOH"	136.98208
"1575530"	1088.18622	"C05265"	"3-Oxodecanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K+CF3COOH"	152.95602
"805897"	909.2146	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M"	0
"976148"	890.19621	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H2O-H"	-19.01839
"66579"	605.135790666667	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-3H"	-3.021828
"512705"	908.207324	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-3H"	-3.021828
"886132"	302.064257333333	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-3H"	-3.021828
"5800"	908.207324	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H"	-2.014552
"445359"	1362.814624	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H"	-2.014552
"819881"	453.600024	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H"	-2.014552
"82061"	1817.421924	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-H"	-1.007276
"522713"	2726.636524	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-H"	-1.007276
"904889"	908.207324	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H"	-1.007276
"49788"	1834.448471	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H+NH4"	16.019271
"487170"	2743.663071	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H+NH4"	16.019271
"865212"	925.233871	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H+NH4"	16.019271
"36883"	1839.403866	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H+Na"	20.974666
"478630"	2748.618466	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H+Na"	20.974666
"853150"	930.189266	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H+Na"	20.974666
"1627059"	930.189266	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na-2H"	20.974666
"109963"	926.195663	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-H+Cl"	33.962126
"549890"	1380.802963	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-H+Cl"	33.962126
"941043"	471.588363	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+Cl"	33.962126
"281424"	1853.398602	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Cl"	34.969402
"674574"	2762.613202	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+Cl"	34.969402
"1288279"	944.184002	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl"	34.969402
"31215"	1855.377806	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H+K"	36.948606
"470921"	2764.592406	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H+K"	36.948606
"847868"	946.163206	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H+K"	36.948606
"1569655"	946.163206	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K-2H"	36.948606
"956807"	954.212794	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+HCOOH"	44.998194
"373929"	1863.427401	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+HCOOH-H"	44.998201
"357812"	1877.443051	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Hac-H"	59.013851
"1504095"	968.228451	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Hac-H"	59.013851
"969817"	976.194751	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+NaCOOH"	66.980151
"115445"	944.184002	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2Cl"	69.938804
"558286"	1398.791302	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2Cl"	69.938804
"1034018"	489.576702	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2Cl"	69.938804
"1255786"	988.133485	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Br"	78.918885
"1316045"	990.189472	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl+HCOOH"	80.974872
"1332449"	1012.171429	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl+NaCOOH"	102.956829
"925693"	1022.200186	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+CF3COOH"	112.985586
"1297663"	1058.176864	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl+CF3COOH"	148.962264
"1380198"	874.201924	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H-2H2O"	-35.012676
"1394414"	892.2119	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H-H2O"	-17.0027
"290821"	1819.436476	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H"	1.007276
"684337"	2728.651076	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H"	1.007276
"1359590"	910.221876	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H"	1.007276
"132480"	910.221876	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2H"	2.014552
"569854"	1364.829176	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2H"	2.014552
"1041933"	455.614576	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2H"	2.014552
"206552"	607.150342666667	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+3H"	3.021828
"652675"	910.221876	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+3H"	3.021828
"1175177"	304.078809333333	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+3H"	3.021828
"434077"	1836.463023	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+NH4"	18.033823
"786323"	2745.677623	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+NH4"	18.033823
"1683017"	927.248423	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+NH4"	18.033823
"330283"	918.7351495	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H+NH4"	19.041099
"722907"	1373.3424495	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H+NH4"	19.041099
"1477090"	464.1278495	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+NH4"	19.041099
"393666"	1841.418418	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Na"	22.989218
"754619"	2750.633018	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+Na"	22.989218
"1602738"	932.203818	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na"	22.989218
"314270"	921.212847	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H+Na"	23.996494
"713240"	1375.820147	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H+Na"	23.996494
"1468887"	466.605547	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+Na"	23.996494
"1066150"	311.406123333333	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2H+Na"	25.00377
"1272204"	942.248086	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+CH3OH+H"	33.033486
"391508"	1857.392358	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+K"	38.963158
"752866"	2766.606958	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+K"	38.963158
"1550908"	948.177758	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K"	38.963158
"310272"	929.199817	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H+K"	39.970434
"705608"	1383.807117	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H+K"	39.970434
"1456512"	474.592517	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+K"	39.970434
"246205"	1860.463026	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+ACN+H"	42.033826
"1221103"	951.248426	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+ACN+H"	42.033826
"1202796"	476.127851	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+ACN+2H"	43.041102
"197855"	1863.40036	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2Na-H"	44.97116
"638508"	2772.61496	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2Na-H"	44.97116
"1138006"	954.18576	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2Na-H"	44.97116
"182026"	932.203818	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2Na"	45.978436
"625964"	1386.811118	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2Na"	45.978436
"1128742"	477.596518	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2Na"	45.978436
"1412509"	318.733437333333	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+2Na"	46.985712
"1441829"	956.227346	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+HCOOH"	47.012746
"231525"	937.23684	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+3H2O+2H"	56.04448
"1515212"	970.27939	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+IsoProp+H"	61.06479
"413441"	940.190788	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Na+K"	61.952376
"772612"	1394.798088	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+Na+K"	61.952376
"1665860"	485.583488	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na+K"	61.952376
"252546"	1882.444968	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+ACN+Na"	64.015768
"1228538"	973.230368	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+ACN+Na"	64.015768
"1714382"	973.253893	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+NH4+HCOOH"	64.039293
"1182414"	326.060751333333	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+3Na"	68.967654
"1653763"	978.209288	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na+HCOOH"	68.994688
"165731"	1895.34824	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2K-H"	76.91904
"599457"	2804.56284	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2K-H"	76.91904
"1097463"	986.13364	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2K-H"	76.91904
"155252"	948.177758	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2K"	77.926316
"594814"	1402.785058	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2K"	77.926316
"1083343"	493.570458	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2K"	77.926316
"1110473"	988.148192	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2K+H"	78.933592
"1343579"	988.235807	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+DMSO+H"	79.021207
"1009921"	992.274976	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2ACN+H"	83.060376
"1537886"	993.268608	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+IsoProp+Na+H"	84.054008
"994492"	496.641126	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2ACN+2H"	84.067652
"1590090"	994.183228	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K+HCOOH"	84.968628
"1421218"	1024.214738	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+CF3COOH"	115.000138
"1152598"	517.154401	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+3ACN+2H"	125.094202
"1703245"	1041.241285	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+NH4+CF3COOH"	132.026685
"1641082"	1046.19668	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na+CF3COOH"	136.98208
"1575640"	1062.17062	"C05266"	"(S)-3-Hydroxyoctanoyl-CoA;(S)-3-Hydroxycapryloyl-CoA;(S)-Hydroxyoctanoyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K+CF3COOH"	152.95602
"809287"	907.1989	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M"	0
"976258"	888.18051	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H2O-H"	-19.01839
"65596"	603.791990666667	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-3H"	-3.021828
"509535"	906.191624	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-3H"	-3.021828
"885149"	301.392357333333	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-3H"	-3.021828
"4816"	906.191624	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H"	-2.014552
"443281"	1359.791074	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H"	-2.014552
"821083"	452.592174	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H"	-2.014552
"79983"	1813.390524	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-H"	-1.007276
"520636"	2720.589424	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-H"	-1.007276
"896857"	906.191624	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H"	-1.007276
"48560"	1830.417071	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H+NH4"	16.019271
"487305"	2737.615971	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H+NH4"	16.019271
"865931"	923.218171	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H+NH4"	16.019271
"36993"	1835.372466	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H+Na"	20.974666
"477646"	2742.571366	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H+Na"	20.974666
"853260"	928.173566	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H+Na"	20.974666
"1628262"	928.173566	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na-2H"	20.974666
"109955"	924.179963	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-H+Cl"	33.962126
"549834"	1377.779413	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-H+Cl"	33.962126
"940911"	470.580513	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+Cl"	33.962126
"281775"	1849.367202	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Cl"	34.969402
"675294"	2756.566102	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+Cl"	34.969402
"1288185"	942.168302	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl"	34.969402
"30742"	1851.346406	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M-2H+K"	36.948606
"470179"	2758.545306	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M-2H+K"	36.948606
"845914"	944.147506	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-2H+K"	36.948606
"1569036"	944.147506	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K-2H"	36.948606
"955824"	952.197094	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+HCOOH"	44.998194
"372946"	1859.396001	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+HCOOH-H"	44.998201
"357558"	1873.411651	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Hac-H"	59.013851
"1504569"	966.212751	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Hac-H"	59.013851
"971019"	974.179051	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+NaCOOH"	66.980151
"121753"	942.168302	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2Cl"	69.938804
"556209"	1395.767752	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2Cl"	69.938804
"1036558"	488.568852	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2Cl"	69.938804
"1256259"	986.117785	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Br"	78.918885
"1318341"	988.173772	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl+HCOOH"	80.974872
"1332923"	1010.155729	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl+NaCOOH"	102.956829
"925803"	1020.184486	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M-H+CF3COOH"	112.985586
"1297773"	1056.161164	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Cl+CF3COOH"	148.962264
"1381281"	872.186224	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H-2H2O"	-35.012676
"1394524"	890.1962	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H-H2O"	-17.0027
"293117"	1815.405076	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H"	1.007276
"685540"	2722.603976	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H"	1.007276
"1360794"	908.206176	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H"	1.007276
"132590"	908.206176	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2H"	2.014552
"571057"	1361.805626	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2H"	2.014552
"1043136"	454.606726	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2H"	2.014552
"205933"	605.806542666667	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+3H"	3.021828
"647316"	908.206176	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+3H"	3.021828
"1173095"	303.406909333333	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+3H"	3.021828
"432000"	1832.431623	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+NH4"	18.033823
"788255"	2739.630523	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+NH4"	18.033823
"1682398"	925.232723	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+NH4"	18.033823
"331042"	916.7194495	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H+NH4"	19.041099
"723004"	1370.3188995	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H+NH4"	19.041099
"1477320"	463.1199995	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+NH4"	19.041099
"393412"	1837.387018	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Na"	22.989218
"755134"	2744.585918	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+Na"	22.989218
"1602904"	930.188118	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na"	22.989218
"314559"	919.197147	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H+Na"	23.996494
"710435"	1372.796597	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H+Na"	23.996494
"1464255"	465.597697	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+Na"	23.996494
"1067353"	310.734223333333	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2H+Na"	25.00377
"1271949"	940.232386	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+CH3OH+H"	33.033486
"390887"	1853.360958	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+K"	38.963158
"752976"	2760.559858	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+K"	38.963158
"1552110"	946.162058	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K"	38.963158
"310379"	927.184117	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+H+K"	39.970434
"704989"	1380.783567	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+H+K"	39.970434
"1456622"	473.584667	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+K"	39.970434
"246315"	1856.431626	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+ACN+H"	42.033826
"1217931"	949.232726	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+ACN+H"	42.033826
"1201813"	475.120001	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+ACN+2H"	43.041102
"194683"	1859.36896	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2Na-H"	44.97116
"633152"	2766.56786	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2Na-H"	44.97116
"1138116"	952.17006	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2Na-H"	44.97116
"177761"	930.188118	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2Na"	45.978436
"625709"	1383.787568	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2Na"	45.978436
"1128488"	476.588668	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2Na"	45.978436
"1410554"	318.061537333333	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+2Na"	46.985712
"1441939"	954.211646	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+HCOOH"	47.012746
"229448"	935.22114	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+3H2O+2H"	56.04448
"1520789"	968.26369	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+IsoProp+H"	61.06479
"413916"	938.175088	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+Na+K"	61.952376
"771263"	1391.774538	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+Na+K"	61.952376
"1665723"	484.575638	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na+K"	61.952376
"251560"	1878.413568	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+ACN+Na"	64.015768
"1225849"	971.214668	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+ACN+Na"	64.015768
"1714007"	971.238193	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+NH4+HCOOH"	64.039293
"1183617"	325.388851333333	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+3Na"	68.967654
"1653509"	976.193588	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na+HCOOH"	68.994688
"159280"	1891.31684	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2K-H"	76.91904
"599563"	2798.51574	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2K-H"	76.91904
"1097572"	984.11794	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2K-H"	76.91904
"151109"	946.162058	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"2M+2K"	77.926316
"592858"	1399.761508	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"3M+2K"	77.926316
"1082115"	492.562608	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2K"	77.926316
"1110583"	986.132492	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2K+H"	78.933592
"1344782"	986.220107	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+DMSO+H"	79.021207
"1010031"	990.259276	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2ACN+H"	83.060376
"1535810"	991.252908	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+IsoProp+Na+H"	84.054008
"992415"	495.633276	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+2ACN+2H"	84.067652
"1589107"	992.167528	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K+HCOOH"	84.968628
"1418048"	1022.199038	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+H+CF3COOH"	115.000138
"1152708"	516.146551	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+3ACN+2H"	125.094202
"1704448"	1039.225585	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+NH4+CF3COOH"	132.026685
"1642285"	1044.18098	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+Na+CF3COOH"	136.98208
"1579030"	1060.15492	"C05267"	"3-Oxooctanoyl-CoA"	"C29H48N7O18P3S"	"907.1989"	"M+K+CF3COOH"	152.95602
"815958"	881.1833	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M"	0
"982930"	862.16491	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H2O-H"	-19.01839
"76644"	586.448257333333	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-3H"	-3.021828
"512925"	880.176024	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-3H"	-3.021828
"886352"	292.720490666667	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-3H"	-3.021828
"8207"	880.176024	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H"	-2.014552
"444486"	1320.767674	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H"	-2.014552
"821195"	439.584374	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H"	-2.014552
"80093"	1761.359324	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-H"	-1.007276
"520746"	2642.542624	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-H"	-1.007276
"896481"	880.176024	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H"	-1.007276
"50736"	1778.385871	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H+NH4"	16.019271
"487125"	2659.569171	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H+NH4"	16.019271
"866284"	897.202571	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H+NH4"	16.019271
"42570"	1783.341266	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H+Na"	20.974666
"483224"	2664.524566	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H+Na"	20.974666
"853370"	902.157966	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H+Na"	20.974666
"1628372"	902.157966	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na-2H"	20.974666
"109533"	898.164363	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-H+Cl"	33.962126
"547386"	1338.756013	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-H+Cl"	33.962126
"942120"	457.572713	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+Cl"	33.962126
"281889"	1797.336002	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Cl"	34.969402
"674922"	2678.519302	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+Cl"	34.969402
"1287931"	916.152702	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl"	34.969402
"30124"	1799.315206	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H+K"	36.948606
"470411"	2680.498506	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H+K"	36.948606
"846750"	918.131906	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H+K"	36.948606
"1570729"	918.131906	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K-2H"	36.948606
"957638"	926.181494	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+HCOOH"	44.998194
"375247"	1807.364801	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+HCOOH-H"	44.998201
"357668"	1821.380451	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Hac-H"	59.013851
"1502490"	940.197151	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Hac-H"	59.013851
"967841"	948.163451	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+NaCOOH"	66.980151
"115655"	916.152702	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2Cl"	69.938804
"556319"	1356.744352	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2Cl"	69.938804
"1028402"	475.561052	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2Cl"	69.938804
"1255638"	960.102185	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Br"	78.918885
"1319181"	962.158172	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl+HCOOH"	80.974872
"1335344"	984.140129	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl+NaCOOH"	102.956829
"926278"	994.168886	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+CF3COOH"	112.985586
"1300070"	1030.145564	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl+CF3COOH"	148.962264
"1382242"	846.170624	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H-2H2O"	-35.012676
"1397553"	864.1806	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H-H2O"	-17.0027
"294321"	1763.373876	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H"	1.007276
"690024"	2644.557176	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H"	1.007276
"1360904"	882.190576	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H"	1.007276
"137074"	882.190576	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2H"	2.014552
"575541"	1322.782226	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2H"	2.014552
"1044340"	441.598926	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2H"	2.014552
"208959"	588.462809333333	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+3H"	3.021828
"650706"	882.190576	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+3H"	3.021828
"1175394"	294.735042666667	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+3H"	3.021828
"438186"	1780.400423	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+NH4"	18.033823
"788003"	2661.583723	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+NH4"	18.033823
"1683602"	899.217123	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+NH4"	18.033823
"330260"	890.7038495	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H+NH4"	19.041099
"722814"	1331.2954995	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H+NH4"	19.041099
"1478123"	450.1121995	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+NH4"	19.041099
"396805"	1785.355818	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Na"	22.989218
"756340"	2666.539118	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+Na"	22.989218
"1606259"	904.172518	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na"	22.989218
"315078"	893.181547	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H+Na"	23.996494
"710181"	1333.773197	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H+Na"	23.996494
"1465460"	452.589897	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+Na"	23.996494
"1065642"	302.062356666667	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2H+Na"	25.00377
"1270481"	914.216786	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+CH3OH+H"	33.033486
"389906"	1801.329758	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+K"	38.963158
"753210"	2682.513058	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+K"	38.963158
"1552220"	920.146458	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K"	38.963158
"311582"	901.168517	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H+K"	39.970434
"704736"	1341.760167	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H+K"	39.970434
"1456732"	460.576867	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+K"	39.970434
"245332"	1804.400426	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+ACN+H"	42.033826
"1216947"	923.217126	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+ACN+H"	42.033826
"1201923"	462.112201	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+ACN+2H"	43.041102
"193701"	1807.33776	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2Na-H"	44.97116
"635448"	2688.52106	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2Na-H"	44.97116
"1136039"	926.15446	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2Na-H"	44.97116
"181151"	904.172518	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2Na"	45.978436
"621078"	1344.764168	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2Na"	45.978436
"1128842"	463.580868	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2Na"	45.978436
"1408839"	309.389670666667	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+2Na"	46.985712
"1441323"	928.196046	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+HCOOH"	47.012746
"227372"	909.20554	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+3H2O+2H"	56.04448
"1520902"	942.24809	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+IsoProp+H"	61.06479
"415121"	912.159488	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Na+K"	61.952376
"773561"	1352.751138	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+Na+K"	61.952376
"1665676"	471.567838	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na+K"	61.952376
"251511"	1826.382368	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+ACN+Na"	64.015768
"1225667"	945.199068	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+ACN+Na"	64.015768
"1712790"	945.222593	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+NH4+HCOOH"	64.039293
"1179269"	316.716984666667	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+3Na"	68.967654
"1652157"	950.177988	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na+HCOOH"	68.994688
"162670"	1839.28564	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2K-H"	76.91904
"598579"	2720.46894	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2K-H"	76.91904
"1095865"	958.10234	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2K-H"	76.91904
"150126"	920.146458	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2K"	77.926316
"592968"	1360.738108	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2K"	77.926316
"1080038"	479.554808	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2K"	77.926316
"1110696"	960.116892	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2K+H"	78.933592
"1341613"	960.204507	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+DMSO+H"	79.021207
"1010141"	964.243676	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2ACN+H"	83.060376
"1530453"	965.237308	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+IsoProp+Na+H"	84.054008
"992526"	482.625476	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2ACN+2H"	84.067652
"1587230"	966.151928	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K+HCOOH"	84.968628
"1419252"	996.183438	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+CF3COOH"	115.000138
"1150633"	503.138751	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+3ACN+2H"	125.094202
"1704560"	1013.209985	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+NH4+CF3COOH"	132.026685
"1644583"	1018.16538	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na+CF3COOH"	136.98208
"1576953"	1034.13932	"C05268"	"(S)-Hydroxyhexanoyl-CoA;(S)-3-Hydroxyhexanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K+CF3COOH"	152.95602
"806227"	879.1676	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M"	0
"976478"	860.14921	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-H2O-H"	-19.01839
"76755"	585.104457333333	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M-3H"	-3.021828
"513035"	878.160324	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M-3H"	-3.021828
"889741"	292.048590666667	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-3H"	-3.021828
"11596"	878.160324	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M-2H"	-2.014552
"445689"	1317.744124	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M-2H"	-2.014552
"824584"	438.576524	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-2H"	-2.014552
"80566"	1757.327924	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M-H"	-1.007276
"523042"	2636.495524	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M-H"	-1.007276
"897320"	878.160324	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-H"	-1.007276
"49752"	1774.354471	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M-2H+NH4"	16.019271
"487615"	2653.522071	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M-2H+NH4"	16.019271
"866030"	895.186871	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-2H+NH4"	16.019271
"35025"	1779.309866	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M-2H+Na"	20.974666
"483334"	2658.477466	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M-2H+Na"	20.974666
"853480"	900.142266	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-2H+Na"	20.974666
"1627388"	900.142266	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Na-2H"	20.974666
"108297"	896.148663	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M-H+Cl"	33.962126
"545672"	1335.732463	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M-H+Cl"	33.962126
"941866"	456.564863	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-H+Cl"	33.962126
"281149"	1793.304602	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+Cl"	34.969402
"674669"	2672.472202	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+Cl"	34.969402
"1288166"	914.137002	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Cl"	34.969402
"31206"	1795.283806	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M-2H+K"	36.948606
"470763"	2674.451406	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M-2H+K"	36.948606
"845766"	916.116206	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-2H+K"	36.948606
"1569618"	916.116206	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+K-2H"	36.948606
"957139"	924.165794	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-H+HCOOH"	44.998194
"376327"	1803.333401	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+HCOOH-H"	44.998201
"358143"	1817.349051	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+Hac-H"	59.013851
"1503329"	938.181451	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Hac-H"	59.013851
"967951"	946.147751	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-H+NaCOOH"	66.980151
"116857"	914.137002	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+2Cl"	69.938804
"564448"	1353.720802	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+2Cl"	69.938804
"1027418"	474.553202	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2Cl"	69.938804
"1256476"	958.086485	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Br"	78.918885
"1314914"	960.142472	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Cl+HCOOH"	80.974872
"1334846"	982.124429	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Cl+NaCOOH"	102.956829
"922379"	992.153186	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M-H+CF3COOH"	112.985586
"1296899"	1028.129864	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Cl+CF3COOH"	148.962264
"1378341"	844.154924	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H-2H2O"	-35.012676
"1395837"	862.1649	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H-H2O"	-17.0027
"293337"	1759.342476	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+H"	1.007276
"683572"	2638.510076	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+H"	1.007276
"1361012"	880.174876	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H"	1.007276
"136091"	880.174876	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+2H"	2.014552
"572370"	1319.758676	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+2H"	2.014552
"1046637"	440.591076	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2H"	2.014552
"211256"	587.119009333333	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+3H"	3.021828
"649723"	880.174876	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+3H"	3.021828
"1171129"	294.063142666667	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+3H"	3.021828
"438660"	1776.369023	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+NH4"	18.033823
"790664"	2655.536623	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+NH4"	18.033823
"1683348"	897.201423	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+NH4"	18.033823
"331262"	888.6881495	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+H+NH4"	19.041099
"723314"	1328.2719495	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+H+NH4"	19.041099
"1479690"	449.1043495	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H+NH4"	19.041099
"399466"	1781.324418	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+Na"	22.989218
"757907"	2660.492018	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+Na"	22.989218
"1606369"	902.156818	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Na"	22.989218
"316403"	891.165847	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+H+Na"	23.996494
"714299"	1330.749647	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+H+Na"	23.996494
"1467392"	451.582047	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H+Na"	23.996494
"1066242"	301.390456666667	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2H+Na"	25.00377
"1269987"	912.201086	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+CH3OH+H"	33.033486
"390990"	1797.298358	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+K"	38.963158
"752107"	2676.465958	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+K"	38.963158
"1553423"	918.130758	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+K"	38.963158
"313636"	899.152817	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+H+K"	39.970434
"703752"	1338.736617	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+H+K"	39.970434
"1456842"	459.569017	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H+K"	39.970434
"246535"	1800.369026	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+ACN+H"	42.033826
"1219242"	921.201426	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+ACN+H"	42.033826
"1202033"	461.104351	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+ACN+2H"	43.041102
"193811"	1803.30636	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+2Na-H"	44.97116
"635558"	2682.47396	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+2Na-H"	44.97116
"1136878"	924.13876	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2Na-H"	44.97116
"182720"	902.156818	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+2Na"	45.978436
"621188"	1341.740618	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+2Na"	45.978436
"1128344"	462.573018	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2Na"	45.978436
"1409314"	308.717770666667	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H+2Na"	46.985712
"1441068"	926.180346	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H+HCOOH"	47.012746
"229305"	907.18984	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+3H2O+2H"	56.04448
"1521741"	940.23239	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+IsoProp+H"	61.06479
"415230"	910.143788	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+Na+K"	61.952376
"771484"	1349.727588	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+Na+K"	61.952376
"1665910"	470.559988	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Na+K"	61.952376
"251780"	1822.350968	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+ACN+Na"	64.015768
"1225821"	943.183368	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+ACN+Na"	64.015768
"1712786"	943.206893	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+NH4+HCOOH"	64.039293
"1178771"	316.045084666667	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+3Na"	68.967654
"1650808"	948.162288	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Na+HCOOH"	68.994688
"160587"	1835.25424	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+2K-H"	76.91904
"599170"	2714.42184	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+2K-H"	76.91904
"1096700"	956.08664	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2K-H"	76.91904
"150235"	918.130758	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"2M+2K"	77.926316
"594169"	1357.714558	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"3M+2K"	77.926316
"1081968"	478.546958	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2K"	77.926316
"1109708"	958.101192	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2K+H"	78.933592
"1346825"	958.188807	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+DMSO+H"	79.021207
"1011345"	962.227976	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2ACN+H"	83.060376
"1531657"	963.221608	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+IsoProp+Na+H"	84.054008
"991543"	481.617626	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+2ACN+2H"	84.067652
"1588598"	964.136228	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+K+HCOOH"	84.968628
"1418269"	994.167738	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+H+CF3COOH"	115.000138
"1149650"	502.130901	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+3ACN+2H"	125.094202
"1704670"	1011.194285	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+NH4+CF3COOH"	132.026685
"1643600"	1016.14968	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+Na+CF3COOH"	136.98208
"1577063"	1032.12362	"C05269"	"3-Oxohexanoyl-CoA;3-Ketohexanoyl-CoA"	"C27H44N7O18P3S"	"879.1676"	"M+K+CF3COOH"	152.95602
"809617"	865.1884	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M"	0
"976589"	846.17001	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-H2O-H"	-19.01839
"77229"	575.784990666667	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M-3H"	-3.021828
"515332"	864.181124	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M-3H"	-3.021828
"893862"	287.388857333333	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-3H"	-3.021828
"14986"	864.181124	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M-2H"	-2.014552
"446892"	1296.775324	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M-2H"	-2.014552
"824694"	431.586924	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-2H"	-2.014552
"81406"	1729.369524	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M-H"	-1.007276
"525338"	2594.557924	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M-H"	-1.007276
"904234"	864.181124	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-H"	-1.007276
"54236"	1746.396071	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M-2H+NH4"	16.019271
"488089"	2611.584471	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M-2H+NH4"	16.019271
"871604"	881.207671	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-2H+NH4"	16.019271
"34163"	1751.351466	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M-2H+Na"	20.974666
"483080"	2616.539866	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M-2H+Na"	20.974666
"859058"	886.163066	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-2H+Na"	20.974666
"1626405"	886.163066	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Na-2H"	20.974666
"109140"	882.169463	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M-H+Cl"	33.962126
"547970"	1314.763663	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M-H+Cl"	33.962126
"941363"	449.575263	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-H+Cl"	33.962126
"280040"	1765.346202	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+Cl"	34.969402
"673556"	2630.534602	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+Cl"	34.969402
"1287662"	900.157802	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Cl"	34.969402
"30462"	1767.325406	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M-2H+K"	36.948606
"469172"	2632.513806	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M-2H+K"	36.948606
"845876"	902.137006	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-2H+K"	36.948606
"1570704"	902.137006	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+K-2H"	36.948606
"955427"	910.186594	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-H+HCOOH"	44.998194
"374007"	1775.375001	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+HCOOH-H"	44.998201
"357524"	1789.390651	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+Hac-H"	59.013851
"1504897"	924.202251	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Hac-H"	59.013851
"969888"	932.168551	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-H+NaCOOH"	66.980151
"120250"	900.157802	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+2Cl"	69.938804
"562370"	1332.752002	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+2Cl"	69.938804
"1025342"	467.563602	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2Cl"	69.938804
"1247107"	944.107285	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Br"	78.918885
"1313931"	946.163272	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Cl+HCOOH"	80.974872
"1333982"	968.145229	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Cl+NaCOOH"	102.956829
"920301"	978.173986	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M-H+CF3COOH"	112.985586
"1292635"	1014.150664	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Cl+CF3COOH"	148.962264
"1379544"	830.175724	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H-2H2O"	-35.012676
"1395947"	848.1857	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H-H2O"	-17.0027
"291261"	1731.384076	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+H"	1.007276
"685870"	2596.572476	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+H"	1.007276
"1361124"	866.195676	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H"	1.007276
"132922"	866.195676	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+2H"	2.014552
"579043"	1298.789876	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+2H"	2.014552
"1045655"	433.601476	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2H"	2.014552
"210275"	577.799542666667	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+3H"	3.021828
"650928"	866.195676	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+3H"	3.021828
"1174520"	289.403409333333	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+3H"	3.021828
"434516"	1748.410623	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+NH4"	18.033823
"794420"	2613.599023	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+NH4"	18.033823
"1685282"	883.222223	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+NH4"	18.033823
"333562"	874.7089495	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+H+NH4"	19.041099
"724889"	1307.3031495	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+H+NH4"	19.041099
"1479803"	442.1147495	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H+NH4"	19.041099
"401765"	1753.366018	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+Na"	22.989218
"759476"	2618.554418	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+Na"	22.989218
"1607576"	888.177618	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Na"	22.989218
"316518"	877.186647	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+H+Na"	23.996494
"713316"	1309.780847	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+H+Na"	23.996494
"1470420"	444.592447	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H+Na"	23.996494
"1066592"	296.730723333333	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2H+Na"	25.00377
"1270459"	898.221886	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+CH3OH+H"	33.033486
"391223"	1769.339958	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+K"	38.963158
"753762"	2634.528358	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+K"	38.963158
"1552440"	904.151558	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+K"	38.963158
"310709"	885.173617	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+H+K"	39.970434
"704591"	1317.767817	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+H+K"	39.970434
"1455859"	452.579417	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H+K"	39.970434
"246645"	1772.410626	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+ACN+H"	42.033826
"1218259"	907.222226	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+ACN+H"	42.033826
"1202143"	454.114751	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+ACN+2H"	43.041102
"198296"	1775.34796	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+2Na-H"	44.97116
"638949"	2640.53636	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+2Na-H"	44.97116
"1140270"	910.15956	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2Na-H"	44.97116
"184653"	888.177618	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+2Na"	45.978436
"623121"	1320.771818	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+2Na"	45.978436
"1129547"	455.583418	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2Na"	45.978436
"1411246"	304.058037333333	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H+2Na"	46.985712
"1445393"	912.201146	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H+HCOOH"	47.012746
"231966"	893.21064	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+3H2O+2H"	56.04448
"1521122"	926.25319	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+IsoProp+H"	61.06479
"420808"	896.164588	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+Na+K"	61.952376
"771959"	1328.758788	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+Na+K"	61.952376
"1670477"	463.570388	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Na+K"	61.952376
"252622"	1794.392568	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+ACN+Na"	64.015768
"1228612"	929.204168	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+ACN+Na"	64.015768
"1714582"	929.227693	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+NH4+HCOOH"	64.039293
"1179935"	311.385351333333	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+3Na"	68.967654
"1653835"	934.183088	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Na+HCOOH"	68.994688
"163977"	1807.29584	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+2K-H"	76.91904
"600257"	2672.48424	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+2K-H"	76.91904
"1095717"	942.10744	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2K-H"	76.91904
"150345"	904.151558	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"2M+2K"	77.926316
"594279"	1336.745758	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"3M+2K"	77.926316
"1079163"	471.557358	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2K"	77.926316
"1108725"	944.121992	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2K+H"	78.933592
"1347297"	944.209607	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+DMSO+H"	79.021207
"1013643"	948.248776	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2ACN+H"	83.060376
"1532861"	949.242408	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+IsoProp+Na+H"	84.054008
"990081"	474.628026	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+2ACN+2H"	84.067652
"1595998"	950.157028	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+K+HCOOH"	84.968628
"1417285"	980.188538	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+H+CF3COOH"	115.000138
"1151947"	495.141301	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+3ACN+2H"	125.094202
"1706967"	997.215085	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+NH4+CF3COOH"	132.026685
"1643710"	1002.17048	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+Na+CF3COOH"	136.98208
"1576080"	1018.14442	"C05270"	"Hexanoyl-CoA"	"C27H46N7O17P3S"	"865.1884"	"M+K+CF3COOH"	152.95602
"809727"	863.1727	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M"	0
"978155"	844.15431	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H2O-H"	-19.01839
"75877"	574.441190666667	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-3H"	-3.021828
"512163"	862.165424	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-3H"	-3.021828
"892151"	286.716957333333	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-3H"	-3.021828
"11817"	862.165424	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H"	-2.014552
"445910"	1293.751774	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H"	-2.014552
"822618"	430.579074	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H"	-2.014552
"85891"	1725.338124	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-H"	-1.007276
"527636"	2588.510824	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-H"	-1.007276
"903252"	862.165424	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H"	-1.007276
"54346"	1742.364671	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H+NH4"	16.019271
"488320"	2605.537371	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H+NH4"	16.019271
"868434"	879.191971	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H+NH4"	16.019271
"43265"	1747.320066	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H+Na"	20.974666
"482462"	2610.492766	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H+Na"	20.974666
"858075"	884.147366	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H+Na"	20.974666
"1622140"	884.147366	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na-2H"	20.974666
"109329"	880.153763	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-H+Cl"	33.962126
"546984"	1311.740113	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-H+Cl"	33.962126
"941592"	448.567413	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+Cl"	33.962126
"281975"	1761.314802	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Cl"	34.969402
"675621"	2624.487502	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+Cl"	34.969402
"1287772"	898.142102	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl"	34.969402
"31295"	1763.294006	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H+K"	36.948606
"470985"	2626.466706	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H+K"	36.948606
"848057"	900.121306	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H+K"	36.948606
"1570898"	900.121306	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K-2H"	36.948606
"958252"	908.170894	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+HCOOH"	44.998194
"375210"	1771.343601	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+HCOOH-H"	44.998201
"359091"	1785.359251	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Hac-H"	59.013851
"1503549"	922.186551	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Hac-H"	59.013851
"970361"	930.152851	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+NaCOOH"	66.980151
"122183"	898.142102	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2Cl"	69.938804
"563573"	1329.728452	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2Cl"	69.938804
"1024359"	466.555752	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2Cl"	69.938804
"1245031"	942.091585	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Br"	78.918885
"1314041"	944.147572	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl+HCOOH"	80.974872
"1331540"	966.129529	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl+NaCOOH"	102.956829
"923691"	976.158286	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+CF3COOH"	112.985586
"1294932"	1012.134964	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl+CF3COOH"	148.962264
"1377467"	828.160024	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H-2H2O"	-35.012676
"1391685"	846.17	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H-H2O"	-17.0027
"289183"	1727.352676	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H"	1.007276
"687074"	2590.525376	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H"	1.007276
"1364516"	864.179976	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H"	1.007276
"136313"	864.179976	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2H"	2.014552
"573686"	1295.766326	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2H"	2.014552
"1043579"	432.593626	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2H"	2.014552
"211479"	576.455742666667	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+3H"	3.021828
"648852"	864.179976	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+3H"	3.021828
"1172442"	288.731509333333	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+3H"	3.021828
"435719"	1744.379223	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+NH4"	18.033823
"794530"	2607.551923	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+NH4"	18.033823
"1687579"	881.206523	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+NH4"	18.033823
"335129"	872.6932495	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H+NH4"	19.041099
"727186"	1304.2795995	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H+NH4"	19.041099
"1480275"	441.1068995	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+NH4"	19.041099
"397501"	1749.334618	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Na"	22.989218
"758493"	2612.507318	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+Na"	22.989218
"1607686"	886.161918	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na"	22.989218
"317356"	875.170947	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H+Na"	23.996494
"709413"	1306.757297	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H+Na"	23.996494
"1469437"	443.584597	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+Na"	23.996494
"1066703"	296.058823333333	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2H+Na"	25.00377
"1270206"	896.206186	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+CH3OH+H"	33.033486
"391333"	1765.308558	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+K"	38.963158
"754029"	2628.481258	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+K"	38.963158
"1554376"	902.135858	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K"	38.963158
"310821"	883.157917	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H+K"	39.970434
"704336"	1314.744267	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H+K"	39.970434
"1455969"	451.571567	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+K"	39.970434
"245662"	1768.379226	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+ACN+H"	42.033826
"1218369"	905.206526	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+ACN+H"	42.033826
"1206629"	453.106901	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+ACN+2H"	43.041102
"198407"	1771.31656	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2Na-H"	44.97116
"637966"	2634.48926	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2Na-H"	44.97116
"1140380"	908.14386	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2Na-H"	44.97116
"182576"	886.161918	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2Na"	45.978436
"622138"	1317.748268	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2Na"	45.978436
"1129657"	454.575568	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2Na"	45.978436
"1412813"	303.386137333333	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+2Na"	46.985712
"1440560"	910.185446	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+HCOOH"	47.012746
"231348"	891.19494	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+3H2O+2H"	56.04448
"1520868"	924.23749	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+IsoProp+H"	61.06479
"420189"	894.148888	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Na+K"	61.952376
"778630"	1325.735238	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+Na+K"	61.952376
"1667427"	462.562538	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na+K"	61.952376
"252365"	1790.361168	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+ACN+Na"	64.015768
"1227021"	927.188468	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+ACN+Na"	64.015768
"1713235"	927.211993	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+NH4+HCOOH"	64.039293
"1180775"	310.713451333333	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+3Na"	68.967654
"1652853"	932.167388	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na+HCOOH"	68.994688
"162994"	1803.26444	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2K-H"	76.91904
"600369"	2666.43714	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2K-H"	76.91904
"1098011"	940.09174	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2K-H"	76.91904
"144987"	902.135858	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2K"	77.926316
"594389"	1333.722208	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2K"	77.926316
"1075622"	470.549508	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2K"	77.926316
"1104460"	942.106292	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2K+H"	78.933592
"1348136"	942.193907	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+DMSO+H"	79.021207
"1015940"	946.233076	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2ACN+H"	83.060376
"1531877"	947.226708	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+IsoProp+Na+H"	84.054008
"991152"	473.620176	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2ACN+2H"	84.067652
"1592828"	948.141328	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K+HCOOH"	84.968628
"1417396"	978.172838	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+CF3COOH"	115.000138
"1153151"	494.133451	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+3ACN+2H"	125.094202
"1709264"	995.199385	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+NH4+CF3COOH"	132.026685
"1643820"	1000.15478	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na+CF3COOH"	136.98208
"1579470"	1016.12872	"C05271"	"trans-Hex-2-enoyl-CoA;(2E)-Hexenoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K+CF3COOH"	152.95602
"809837"	1003.3292	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M"	0
"975715"	984.31081	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H2O-H"	-19.01839
"62987"	667.878857333333	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-3H"	-3.021828
"512273"	1002.321924	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-3H"	-3.021828
"893355"	333.435790666667	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-3H"	-3.021828
"11928"	1002.321924	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H"	-2.014552
"453311"	1503.986524	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H"	-2.014552
"820177"	500.657324	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H"	-2.014552
"86001"	2005.651124	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H"	-1.007276
"526653"	3008.980324	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H"	-1.007276
"902269"	1002.321924	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H"	-1.007276
"56642"	2022.677671	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+NH4"	16.019271
"487183"	3026.006871	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+NH4"	16.019271
"865264"	1019.348471	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+NH4"	16.019271
"43739"	2027.633066	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+Na"	20.974666
"484030"	3030.962266	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+Na"	20.974666
"858914"	1024.303866	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+Na"	20.974666
"1623344"	1024.303866	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na-2H"	20.974666
"109934"	1020.310263	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H+Cl"	33.962126
"548188"	1521.974863	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H+Cl"	33.962126
"932954"	518.645663	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+Cl"	33.962126
"280259"	2041.627802	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Cl"	34.969402
"672680"	3044.957002	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Cl"	34.969402
"1287516"	1038.298602	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl"	34.969402
"29828"	2043.607006	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+K"	36.948606
"470848"	3046.936206	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+K"	36.948606
"843910"	1040.277806	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+K"	36.948606
"1565210"	1040.277806	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K-2H"	36.948606
"955280"	1048.327394	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+HCOOH"	44.998194
"373495"	2051.656601	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+HCOOH-H"	44.998201
"357378"	2065.672251	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Hac-H"	59.013851
"1500743"	1062.343051	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Hac-H"	59.013851
"969013"	1070.309351	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+NaCOOH"	66.980151
"122293"	1038.298602	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Cl"	69.938804
"557851"	1539.963202	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Cl"	69.938804
"1034312"	536.634002	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Cl"	69.938804
"1253890"	1082.248085	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Br"	78.918885
"1311965"	1084.304072	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+HCOOH"	80.974872
"1328368"	1106.286029	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+NaCOOH"	102.956829
"923801"	1116.314786	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+CF3COOH"	112.985586
"1298322"	1152.291464	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+CF3COOH"	148.962264
"1372111"	968.316524	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-2H2O"	-35.012676
"1387422"	986.3265	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-H2O"	-17.0027
"292575"	2007.665676	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H"	1.007276
"684998"	3010.994876	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H"	1.007276
"1364626"	1004.336476	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H"	1.007276
"136423"	1004.336476	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2H"	2.014552
"573797"	1506.001076	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2H"	2.014552
"1043689"	502.671876	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H"	2.014552
"213776"	669.893409333333	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H"	3.021828
"649326"	1004.336476	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+3H"	3.021828
"1171459"	335.450342666667	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3H"	3.021828
"436558"	2024.692223	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+NH4"	18.033823
"791358"	3028.021423	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+NH4"	18.033823
"1682948"	1021.363023	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4"	18.033823
"333784"	1012.8497495	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+NH4"	19.041099
"727299"	1514.5143495	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+NH4"	19.041099
"1483304"	511.1851495	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+NH4"	19.041099
"398704"	2029.647618	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na"	22.989218
"757874"	3032.976818	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na"	22.989218
"1606703"	1026.318418	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na"	22.989218
"317466"	1015.327447	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+Na"	23.996494
"709887"	1516.992047	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+Na"	23.996494
"1467360"	513.662847	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+Na"	23.996494
"1067420"	342.777656666667	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H+Na"	25.00377
"1271408"	1036.362686	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+CH3OH+H"	33.033486
"391808"	2045.621558	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+K"	38.963158
"753532"	3048.950758	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+K"	38.963158
"1554122"	1042.292358	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K"	38.963158
"313608"	1023.314417	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+K"	39.970434
"704084"	1524.979017	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+K"	39.970434
"1456080"	521.649817	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+K"	39.970434
"244681"	2048.692226	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+H"	42.033826
"1219575"	1045.363026	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+H"	42.033826
"1207104"	523.185151	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+2H"	43.041102
"198517"	2051.62956	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na-H"	44.97116
"638076"	3054.95876	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na-H"	44.97116
"1140490"	1048.30036	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na-H"	44.97116
"181593"	1026.318418	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na"	45.978436
"624434"	1527.983018	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na"	45.978436
"1129767"	524.653818	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na"	45.978436
"1411101"	350.104970666667	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+2Na"	46.985712
"1445370"	1050.341946	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+HCOOH"	47.012746
"234740"	1031.35144	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H2O+2H"	56.04448
"1523165"	1064.39399	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+H"	61.06479
"422487"	1034.305388	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na+K"	61.952376
"778740"	1535.969988	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na+K"	61.952376
"1670696"	532.640788	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+K"	61.952376
"252838"	2070.674168	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+Na"	64.015768
"1229926"	1067.344968	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+Na"	64.015768
"1714438"	1067.368493	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+HCOOH"	64.039293
"1179792"	357.432284666667	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3Na"	68.967654
"1652598"	1072.323888	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+HCOOH"	68.994688
"160189"	2083.57744	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K-H"	76.91904
"598657"	3086.90664	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K-H"	76.91904
"1097757"	1080.24824	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K-H"	76.91904
"149471"	1042.292358	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K"	77.926316
"587938"	1543.956958	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K"	77.926316
"1075732"	540.627758	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K"	77.926316
"1101653"	1082.262792	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K+H"	78.933592
"1348246"	1082.350407	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+DMSO+H"	79.021207
"1018602"	1086.389576	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+H"	83.060376
"1534174"	1087.383208	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+Na+H"	84.054008
"990532"	543.698426	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+2H"	84.067652
"1592938"	1088.297828	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+HCOOH"	84.968628
"1418599"	1118.329338	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+CF3COOH"	115.000138
"1152167"	564.211701	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3ACN+2H"	125.094202
"1710467"	1135.355885	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+CF3COOH"	132.026685
"1645023"	1140.31128	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+CF3COOH"	136.98208
"1579580"	1156.28522	"C05272"	"trans-Hexadec-2-enoyl-CoA;trans-2-Hexadecenoyl-CoA;(2E)-Hexadecenoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+CF3COOH"	152.95602
"806667"	975.2979	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M"	0
"975825"	956.27951	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H2O-H"	-19.01839
"63325"	649.191324	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-3H"	-3.021828
"514570"	974.290624	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-3H"	-3.021828
"893468"	324.092024	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-3H"	-3.021828
"10945"	974.290624	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H"	-2.014552
"452693"	1461.939574	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H"	-2.014552
"820653"	486.641674	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H"	-2.014552
"86111"	1949.588524	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-H"	-1.007276
"526763"	2924.886424	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-H"	-1.007276
"901286"	974.290624	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H"	-1.007276
"55659"	1966.615071	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+NH4"	16.019271
"494131"	2941.912971	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+NH4"	16.019271
"868654"	991.317171	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+NH4"	16.019271
"37652"	1971.570466	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+Na"	20.974666
"475025"	2946.868366	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+Na"	20.974666
"852826"	996.272566	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+Na"	20.974666
"1625641"	996.272566	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na-2H"	20.974666
"107643"	992.278963	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-H+Cl"	33.962126
"546111"	1479.927913	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-H+Cl"	33.962126
"933063"	504.630013	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+Cl"	33.962126
"273807"	1985.565202	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Cl"	34.969402
"669510"	2960.863102	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Cl"	34.969402
"1285194"	1010.267302	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl"	34.969402
"27386"	1987.544406	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+K"	36.948606
"468403"	2962.842306	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+K"	36.948606
"842926"	1012.246506	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+K"	36.948606
"1565320"	1012.246506	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K-2H"	36.948606
"952111"	1020.296094	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+HCOOH"	44.998194
"370325"	1995.594001	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+HCOOH-H"	44.998201
"354208"	2009.609651	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Hac-H"	59.013851
"1500853"	1034.311751	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Hac-H"	59.013851
"972769"	1042.278051	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+NaCOOH"	66.980151
"123134"	1010.267302	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Cl"	69.938804
"559045"	1497.916252	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Cl"	69.938804
"1033328"	522.618352	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Cl"	69.938804
"1254000"	1054.216785	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Br"	78.918885
"1312075"	1056.272772	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+HCOOH"	80.974872
"1328478"	1078.254729	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+NaCOOH"	102.956829
"923911"	1088.283486	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+CF3COOH"	112.985586
"1298432"	1124.260164	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+CF3COOH"	148.962264
"1372221"	940.285224	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H-2H2O"	-35.012676
"1387532"	958.2952	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H-H2O"	-17.0027
"293778"	1951.603076	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H"	1.007276
"685108"	2926.900976	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H"	1.007276
"1363642"	976.305176	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H"	1.007276
"130337"	976.305176	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2H"	2.014552
"573907"	1463.954126	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2H"	2.014552
"1042706"	488.656226	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2H"	2.014552
"212793"	651.205876	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+3H"	3.021828
"647249"	976.305176	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+3H"	3.021828
"1171569"	326.106576	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3H"	3.021828
"430471"	1968.629623	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+NH4"	18.033823
"788551"	2943.927523	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+NH4"	18.033823
"1681762"	993.331723	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4"	18.033823
"332072"	984.8184495	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+NH4"	19.041099
"725222"	1472.4673995	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+NH4"	19.041099
"1483414"	497.1694995	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+NH4"	19.041099
"397721"	1973.585018	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Na"	22.989218
"755796"	2948.882918	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Na"	22.989218
"1606813"	998.287118	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na"	22.989218
"316114"	987.296147	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+Na"	23.996494
"708534"	1474.945097	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+Na"	23.996494
"1466375"	499.647197	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+Na"	23.996494
"1065466"	333.43389	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2H+Na"	25.00377
"1271154"	1008.331386	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+CH3OH+H"	33.033486
"391554"	1989.558958	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+K"	38.963158
"753764"	2964.856858	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+K"	38.963158
"1553867"	1014.261058	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K"	38.963158
"313475"	995.283117	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+K"	39.970434
"704558"	1482.932067	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+K"	39.970434
"1456190"	507.634167	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+K"	39.970434
"245884"	1992.629626	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+ACN+H"	42.033826
"1219685"	1017.331726	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+H"	42.033826
"1207214"	509.169501	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+2H"	43.041102
"198627"	1995.56696	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Na-H"	44.97116
"637092"	2970.86486	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Na-H"	44.97116
"1140600"	1020.26906	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Na-H"	44.97116
"181703"	998.287118	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Na"	45.978436
"617984"	1485.936068	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Na"	45.978436
"1130605"	510.638168	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Na"	45.978436
"1411575"	340.761204	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+2Na"	46.985712
"1445445"	1022.310646	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+HCOOH"	47.012746
"234121"	1003.32014	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+3H2O+2H"	56.04448
"1522182"	1036.36269	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+IsoProp+H"	61.06479
"422597"	1006.274088	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Na+K"	61.952376
"778850"	1493.923038	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Na+K"	61.952376
"1669712"	518.625138	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+K"	61.952376
"252950"	2014.611568	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+ACN+Na"	64.015768
"1230036"	1039.313668	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+Na"	64.015768
"1715640"	1039.337193	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4+HCOOH"	64.039293
"1180995"	348.088518	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3Na"	68.967654
"1651251"	1044.292588	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+HCOOH"	68.994688
"159934"	2027.51484	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2K-H"	76.91904
"601683"	3002.81274	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2K-H"	76.91904
"1096044"	1052.21694	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K-H"	76.91904
"149580"	1014.261058	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2K"	77.926316
"584767"	1501.910008	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2K"	77.926316
"1079122"	526.612108	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K"	77.926316
"1104680"	1054.231492	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K+H"	78.933592
"1347628"	1054.319107	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+DMSO+H"	79.021207
"1017255"	1058.358276	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2ACN+H"	83.060376
"1533920"	1059.351908	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+IsoProp+Na+H"	84.054008
"995263"	529.682776	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2ACN+2H"	84.067652
"1596328"	1060.266528	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K+HCOOH"	84.968628
"1418708"	1090.298038	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+CF3COOH"	115.000138
"1152277"	550.196051	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3ACN+2H"	125.094202
"1710577"	1107.324585	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4+CF3COOH"	132.026685
"1645133"	1112.27998	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+CF3COOH"	136.98208
"1576410"	1128.25392	"C05273"	"trans-Tetradec-2-enoyl-CoA;(2E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K+CF3COOH"	152.95602
"806777"	921.251	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M"	0
"977028"	902.23261	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-H2O-H"	-19.01839
"63561"	613.160057333333	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M-3H"	-3.021828
"515774"	920.243724	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M-3H"	-3.021828
"893575"	306.076390666667	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-3H"	-3.021828
"9962"	920.243724	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M-2H"	-2.014552
"452801"	1380.869224	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M-2H"	-2.014552
"821856"	459.618224	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-2H"	-2.014552
"86221"	1841.494724	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M-H"	-1.007276
"526872"	2762.745724	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M-H"	-1.007276
"902489"	920.243724	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-H"	-1.007276
"52489"	1858.521271	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M-2H+NH4"	16.019271
"490961"	2779.772271	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M-2H+NH4"	16.019271
"869857"	937.270271	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-2H+NH4"	16.019271
"41771"	1863.476666	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M-2H+Na"	20.974666
"480602"	2784.727666	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M-2H+Na"	20.974666
"855123"	942.225666	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-2H+Na"	20.974666
"1628667"	942.225666	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Na-2H"	20.974666
"109338"	938.232063	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M-H+Cl"	33.962126
"549265"	1398.857563	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M-H+Cl"	33.962126
"940952"	477.606563	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-H+Cl"	33.962126
"279992"	1877.471402	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+Cl"	34.969402
"670713"	2798.722402	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+Cl"	34.969402
"1286763"	956.220402	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Cl"	34.969402
"29080"	1879.450606	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M-2H+K"	36.948606
"470339"	2800.701606	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M-2H+K"	36.948606
"846804"	958.199606	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-2H+K"	36.948606
"1565431"	958.199606	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+K-2H"	36.948606
"955867"	966.249194	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-H+HCOOH"	44.998194
"372987"	1887.500201	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+HCOOH-H"	44.998201
"357600"	1901.515851	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+Hac-H"	59.013851
"1504610"	980.264851	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Hac-H"	59.013851
"973005"	988.231151	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-H+NaCOOH"	66.980151
"122880"	956.220402	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+2Cl"	69.938804
"559156"	1416.845902	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+2Cl"	69.938804
"1027970"	495.594902	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2Cl"	69.938804
"1254110"	1000.169885	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Br"	78.918885
"1308905"	1002.225872	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Cl+HCOOH"	80.974872
"1328588"	1024.207829	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Cl+NaCOOH"	102.956829
"917461"	1034.236586	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M-H+CF3COOH"	112.985586
"1298543"	1070.213264	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Cl+CF3COOH"	148.962264
"1374519"	886.238324	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H-2H2O"	-35.012676
"1390923"	904.2483	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H-H2O"	-17.0027
"291702"	1843.509276	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+H"	1.007276
"689227"	2764.760276	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+H"	1.007276
"1362659"	922.258276	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H"	1.007276
"138831"	922.258276	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+2H"	2.014552
"577298"	1382.883776	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+2H"	2.014552
"1047190"	461.632776	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2H"	2.014552
"218007"	615.174609333333	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+3H"	3.021828
"652462"	922.258276	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+3H"	3.021828
"1173866"	308.090942666667	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+3H"	3.021828
"434957"	1860.535823	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+NH4"	18.033823
"792673"	2781.786823	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+NH4"	18.033823
"1682074"	939.284823	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+NH4"	18.033823
"336191"	930.7715495	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+H+NH4"	19.041099
"731896"	1391.3970495	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+H+NH4"	19.041099
"1488995"	470.1460495	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H+NH4"	19.041099
"397831"	1865.491218	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+Na"	22.989218
"762106"	2786.742218	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+Na"	22.989218
"1608018"	944.240218	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Na"	22.989218
"316959"	933.249247	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+H+Na"	23.996494
"710107"	1393.874747	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+H+Na"	23.996494
"1466485"	472.623747	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H+Na"	23.996494
"1065940"	315.418256666667	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2H+Na"	25.00377
"1269806"	954.284486	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+CH3OH+H"	33.033486
"390931"	1881.465158	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+K"	38.963158
"752287"	2802.716158	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+K"	38.963158
"1555207"	960.214158	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+K"	38.963158
"313099"	941.236217	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+H+K"	39.970434
"705032"	1401.861717	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+H+K"	39.970434
"1457393"	480.610717	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H+K"	39.970434
"244900"	1884.535826	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+ACN+H"	42.033826
"1220524"	963.284826	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+ACN+H"	42.033826
"1206231"	482.146051	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+ACN+2H"	43.041102
"198373"	1887.47316	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+2Na-H"	44.97116
"639389"	2808.72416	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+2Na-H"	44.97116
"1140710"	966.22216	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2Na-H"	44.97116
"181813"	944.240218	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+2Na"	45.978436
"618094"	1404.865718	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+2Na"	45.978436
"1129136"	483.614718	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2Na"	45.978436
"1411685"	322.745570666667	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H+2Na"	46.985712
"1443083"	968.263746	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H+HCOOH"	47.012746
"234960"	949.27324	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+3H2O+2H"	56.04448
"1523265"	982.31579	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+IsoProp+H"	61.06479
"422340"	952.227188	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+Na+K"	61.952376
"778960"	1412.852688	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+Na+K"	61.952376
"1669822"	491.601688	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Na+K"	61.952376
"253181"	1906.517768	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+ACN+Na"	64.015768
"1229417"	985.266768	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+ACN+Na"	64.015768
"1714656"	985.290293	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+NH4+HCOOH"	64.039293
"1181105"	330.072884666667	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+3Na"	68.967654
"1651238"	990.245688	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Na+HCOOH"	68.994688
"160044"	1919.42104	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+2K-H"	76.91904
"600700"	2840.67204	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+2K-H"	76.91904
"1096519"	998.17004	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2K-H"	76.91904
"149690"	960.214158	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"2M+2K"	77.926316
"587063"	1420.839658	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"3M+2K"	77.926316
"1078868"	499.588658	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2K"	77.926316
"1110258"	1000.184592	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2K+H"	78.933592
"1347010"	1000.272207	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+DMSO+H"	79.021207
"1019797"	1004.311376	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2ACN+H"	83.060376
"1537677"	1005.305008	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+IsoProp+Na+H"	84.054008
"998654"	502.659326	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+2ACN+2H"	84.067652
"1597897"	1006.219628	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+K+HCOOH"	84.968628
"1419913"	1036.251138	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+H+CF3COOH"	115.000138
"1153481"	523.172601	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+3ACN+2H"	125.094202
"1707407"	1053.277685	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+NH4+CF3COOH"	132.026685
"1645243"	1058.23308	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+Na+CF3COOH"	136.98208
"1576520"	1074.20702	"C05274"	"Decanoyl-CoA"	"C31H54N7O17P3S"	"921.251"	"M+K+CF3COOH"	152.95602
"806887"	919.2353	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M"	0
"978232"	900.21691	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H2O-H"	-19.01839
"63188"	611.816257333333	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-3H"	-3.021828
"514791"	918.228024	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-3H"	-3.021828
"890405"	305.404490666667	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-3H"	-3.021828
"8978"	918.228024	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H"	-2.014552
"446350"	1377.845674	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H"	-2.014552
"818927"	458.610374	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H"	-2.014552
"82320"	1837.463324	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-H"	-1.007276
"523703"	2756.698624	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-H"	-1.007276
"901506"	918.228024	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H"	-1.007276
"48953"	1854.489871	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H+NH4"	16.019271
"494351"	2773.725171	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H+NH4"	16.019271
"866687"	935.254571	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H+NH4"	16.019271
"43338"	1859.445266	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H+Na"	20.974666
"478525"	2778.680566	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H+Na"	20.974666
"853045"	940.209966	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H+Na"	20.974666
"1629141"	940.209966	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na-2H"	20.974666
"108963"	936.216363	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-H+Cl"	33.962126
"548038"	1395.834013	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-H+Cl"	33.962126
"941669"	476.598713	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+Cl"	33.962126
"280587"	1873.440002	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Cl"	34.969402
"672646"	2792.675302	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+Cl"	34.969402
"1286508"	954.204702	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl"	34.969402
"29066"	1875.419206	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H+K"	36.948606
"469716"	2794.654506	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H+K"	36.948606
"847157"	956.183906	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H+K"	36.948606
"1565541"	956.183906	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K-2H"	36.948606
"956342"	964.233494	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+HCOOH"	44.998194
"373827"	1883.468801	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+HCOOH-H"	44.998201
"360141"	1897.484451	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Hac-H"	59.013851
"1505084"	978.249151	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Hac-H"	59.013851
"973600"	986.215451	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+NaCOOH"	66.980151
"122990"	954.204702	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2Cl"	69.938804
"558173"	1413.822352	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2Cl"	69.938804
"1024796"	494.587052	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2Cl"	69.938804
"1252032"	998.154185	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Br"	78.918885
"1312294"	1000.210172	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl+HCOOH"	80.974872
"1328698"	1022.192129	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl+NaCOOH"	102.956829
"917570"	1032.220886	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+CF3COOH"	112.985586
"1295373"	1068.197564	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl+CF3COOH"	148.962264
"1374629"	884.222624	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H-2H2O"	-35.012676
"1391033"	902.2326	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H-H2O"	-17.0027
"291812"	1839.477876	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H"	1.007276
"687514"	2758.713176	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H"	1.007276
"1362769"	920.242576	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H"	1.007276
"133474"	920.242576	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2H"	2.014552
"575221"	1379.860226	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2H"	2.014552
"1042926"	460.624926	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2H"	2.014552
"217023"	613.830809333333	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+3H"	3.021828
"651479"	920.242576	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+3H"	3.021828
"1172882"	307.419042666667	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+3H"	3.021828
"431785"	1856.504423	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+NH4"	18.033823
"790229"	2775.739723	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+NH4"	18.033823
"1682060"	937.269123	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+NH4"	18.033823
"333380"	928.7558495	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H+NH4"	19.041099
"724584"	1388.3734995	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H+NH4"	19.041099
"1482541"	469.1381995	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+NH4"	19.041099
"396845"	1861.459818	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Na"	22.989218
"757842"	2780.695118	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+Na"	22.989218
"1605940"	942.224518	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na"	22.989218
"315608"	931.233547	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H+Na"	23.996494
"709852"	1390.851197	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H+Na"	23.996494
"1466594"	471.615897	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+Na"	23.996494
"1066413"	314.746356666667	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2H+Na"	25.00377
"1271005"	952.268786	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+CH3OH+H"	33.033486
"388121"	1877.433758	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+K"	38.963158
"752398"	2796.669058	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+K"	38.963158
"1551895"	958.198458	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K"	38.963158
"312967"	939.220517	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H+K"	39.970434
"702590"	1398.838167	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H+K"	39.970434
"1454223"	479.602867	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+K"	39.970434
"247925"	1880.504426	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+ACN+H"	42.033826
"1222823"	961.269126	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+ACN+H"	42.033826
"1206707"	481.138201	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+ACN+2H"	43.041102
"201764"	1883.44176	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2Na-H"	44.97116
"640959"	2802.67706	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2Na-H"	44.97116
"1140820"	964.20646	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2Na-H"	44.97116
"179736"	942.224518	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2Na"	45.978436
"619661"	1401.842168	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2Na"	45.978436
"1129975"	482.606868	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2Na"	45.978436
"1411795"	322.073670666667	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+2Na"	46.985712
"1444282"	966.248046	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+HCOOH"	47.012746
"235679"	947.25754	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+3H2O+2H"	56.04448
"1520578"	980.30009	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+IsoProp+H"	61.06479
"423546"	950.211488	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Na+K"	61.952376
"779072"	1409.829138	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+Na+K"	61.952376
"1673215"	490.593838	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na+K"	61.952376
"259735"	1902.486368	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+ACN+Na"	64.015768
"1236819"	983.251068	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+ACN+Na"	64.015768
"1716226"	983.274593	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+NH4+HCOOH"	64.039293
"1182311"	329.400984666667	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+3Na"	68.967654
"1653298"	988.229988	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na+HCOOH"	68.994688
"160158"	1915.38964	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2K-H"	76.91904
"600810"	2834.62494	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2K-H"	76.91904
"1097357"	996.15434	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2K-H"	76.91904
"149800"	958.198458	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2K"	77.926316
"587174"	1417.816108	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2K"	77.926316
"1081165"	498.580808	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2K"	77.926316
"1111098"	998.168892	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2K+H"	78.933592
"1349309"	998.256507	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+DMSO+H"	79.021207
"1019661"	1002.295676	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2ACN+H"	83.060376
"1536327"	1003.289308	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+IsoProp+Na+H"	84.054008
"996575"	501.651476	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2ACN+2H"	84.067652
"1593268"	1004.203928	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K+HCOOH"	84.968628
"1423302"	1034.235438	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+CF3COOH"	115.000138
"1153591"	522.164751	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+3ACN+2H"	125.094202
"1707517"	1051.261985	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+NH4+CF3COOH"	132.026685
"1645353"	1056.21738	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na+CF3COOH"	136.98208
"1574443"	1072.19132	"C05275"	"trans-Dec-2-enoyl-CoA;(2E)-Decenoyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K+CF3COOH"	152.95602
"806997"	891.204	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M"	0
"978342"	872.18561	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-H2O-H"	-19.01839
"62964"	593.128724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M-3H"	-3.021828
"517087"	890.196724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M-3H"	-3.021828
"894403"	296.060724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-3H"	-3.021828
"13462"	890.196724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M-2H"	-2.014552
"446460"	1335.798724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M-2H"	-2.014552
"823170"	444.594724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-2H"	-2.014552
"83160"	1781.400724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M-H"	-1.007276
"527093"	2672.604724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M-H"	-1.007276
"900523"	890.196724	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-H"	-1.007276
"47361"	1798.427271	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M-2H+NH4"	16.019271
"493368"	2689.631271	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M-2H+NH4"	16.019271
"878461"	907.223271	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-2H+NH4"	16.019271
"40168"	1803.382666	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M-2H+Na"	20.974666
"480821"	2694.586666	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M-2H+Na"	20.974666
"853155"	912.178666	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-2H+Na"	20.974666
"1629252"	912.178666	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Na-2H"	20.974666
"109605"	908.185063	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M-H+Cl"	33.962126
"549609"	1353.787063	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M-H+Cl"	33.962126
"942028"	462.583063	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-H+Cl"	33.962126
"282569"	1817.377402	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+Cl"	34.969402
"675477"	2708.581402	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+Cl"	34.969402
"1288324"	926.173402	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Cl"	34.969402
"30883"	1819.356606	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M-2H+K"	36.948606
"469827"	2710.560606	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M-2H+K"	36.948606
"847881"	928.152606	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-2H+K"	36.948606
"1569662"	928.152606	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+K-2H"	36.948606
"958238"	936.202194	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-H+HCOOH"	44.998194
"376125"	1827.406201	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+HCOOH-H"	44.998201
"361314"	1841.421851	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+Hac-H"	59.013851
"1506288"	950.217851	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Hac-H"	59.013851
"974194"	958.184151	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-H+NaCOOH"	66.980151
"122371"	926.173402	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+2Cl"	69.938804
"556097"	1371.775402	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+2Cl"	69.938804
"1025999"	480.571402	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2Cl"	69.938804
"1248862"	970.122885	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Br"	78.918885
"1306936"	972.178872	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Cl+HCOOH"	80.974872
"1323340"	994.160829	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Cl+NaCOOH"	102.956829
"915491"	1004.189586	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M-H+CF3COOH"	112.985586
"1297668"	1040.166264	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Cl+CF3COOH"	148.962264
"1370726"	856.191324	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H-2H2O"	-35.012676
"1393327"	874.2013	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H-H2O"	-17.0027
"291921"	1783.415276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+H"	1.007276
"687623"	2674.619276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+H"	1.007276
"1358505"	892.211276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H"	1.007276
"134673"	892.211276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+2H"	2.014552
"570956"	1337.813276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+2H"	2.014552
"1044129"	446.609276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2H"	2.014552
"216404"	595.143276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+3H"	3.021828
"657785"	892.211276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+3H"	3.021828
"1175180"	298.075276	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+3H"	3.021828
"435905"	1800.441823	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+NH4"	18.033823
"796171"	2691.645823	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+NH4"	18.033823
"1682656"	909.237823	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+NH4"	18.033823
"332762"	900.7245495	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+H+NH4"	19.041099
"724816"	1346.3265495	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+H+NH4"	19.041099
"1482651"	455.1225495	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H+NH4"	19.041099
"394764"	1805.397218	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+Na"	22.989218
"760139"	2696.601218	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+Na"	22.989218
"1606050"	914.193218	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Na"	22.989218
"316448"	903.202247	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+H+Na"	23.996494
"710328"	1348.804247	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+H+Na"	23.996494
"1465609"	457.600247	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H+Na"	23.996494
"1061048"	305.40259	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2H+Na"	25.00377
"1264913"	924.237486	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+CH3OH+H"	33.033486
"387863"	1821.371158	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+K"	38.963158
"749952"	2712.575158	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+K"	38.963158
"1552005"	930.167158	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+K"	38.963158
"311369"	911.189217	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+H+K"	39.970434
"704886"	1356.791217	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+H+K"	39.970434
"1456519"	465.587217	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H+K"	39.970434
"249858"	1824.441826	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+ACN+H"	42.033826
"1222933"	933.237826	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+ACN+H"	42.033826
"1205722"	467.122551	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+ACN+2H"	43.041102
"195677"	1827.37916	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+2Na-H"	44.97116
"639608"	2718.58316	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+2Na-H"	44.97116
"1138743"	936.17516	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2Na-H"	44.97116
"179844"	914.193218	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+2Na"	45.978436
"621593"	1359.795218	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+2Na"	45.978436
"1129111"	468.591218	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2Na"	45.978436
"1410811"	312.729904	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H+2Na"	46.985712
"1439652"	938.216746	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H+HCOOH"	47.012746
"233721"	919.22624	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+3H2O+2H"	56.04448
"1521781"	952.26879	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+IsoProp+H"	61.06479
"421467"	922.180188	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+Na+K"	61.952376
"778088"	1367.782188	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+Na+K"	61.952376
"1668949"	476.578188	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Na+K"	61.952376
"255469"	1846.423768	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+ACN+Na"	64.015768
"1231456"	955.219768	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+ACN+Na"	64.015768
"1715972"	955.243293	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+NH4+HCOOH"	64.039293
"1182417"	320.057218	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+3Na"	68.967654
"1653772"	960.198688	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Na+HCOOH"	68.994688
"159539"	1859.32704	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+2K-H"	76.91904
"599095"	2750.53104	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+2K-H"	76.91904
"1098446"	968.12304	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2K-H"	76.91904
"155377"	930.167158	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"2M+2K"	77.926316
"594940"	1375.769158	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"3M+2K"	77.926316
"1082008"	484.565158	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2K"	77.926316
"1113029"	970.137592	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2K+H"	78.933592
"1349418"	970.225207	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+DMSO+H"	79.021207
"1020264"	974.264376	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2ACN+H"	83.060376
"1538623"	975.258008	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+IsoProp+Na+H"	84.054008
"996685"	487.635826	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+2ACN+2H"	84.067652
"1600303"	976.172628	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+K+HCOOH"	84.968628
"1423412"	1006.204138	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+H+CF3COOH"	115.000138
"1156981"	508.149101	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+3ACN+2H"	125.094202
"1707627"	1023.230685	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+NH4+CF3COOH"	132.026685
"1645463"	1028.18608	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+Na+CF3COOH"	136.98208
"1574553"	1044.16002	"C05276"	"trans-Oct-2-enoyl-CoA;(2E)-Octenoyl-CoA"	"C29H48N7O17P3S"	"891.204"	"M+K+CF3COOH"	152.95602
"807107"	909.2146	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M"	0
"975172"	890.19621	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H2O-H"	-19.01839
"63130"	605.135790666667	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-3H"	-3.021828
"513916"	908.207324	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-3H"	-3.021828
"888437"	302.064257333333	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-3H"	-3.021828
"2638"	908.207324	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H"	-2.014552
"449850"	1362.814624	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H"	-2.014552
"818055"	453.600024	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H"	-2.014552
"84363"	1817.421924	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-H"	-1.007276
"527203"	2726.636524	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-H"	-1.007276
"898445"	908.207324	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H"	-1.007276
"48079"	1834.448471	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H+NH4"	16.019271
"489103"	2743.663071	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H+NH4"	16.019271
"877478"	925.233871	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H+NH4"	16.019271
"38086"	1839.403866	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H+Na"	20.974666
"478742"	2748.618466	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H+Na"	20.974666
"853262"	930.189266	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H+Na"	20.974666
"1626082"	930.189266	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na-2H"	20.974666
"103703"	926.195663	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-H+Cl"	33.962126
"549340"	1380.802963	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-H+Cl"	33.962126
"942495"	471.588363	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+Cl"	33.962126
"282718"	1853.398602	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Cl"	34.969402
"674937"	2762.613202	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+Cl"	34.969402
"1288070"	944.184002	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl"	34.969402
"30382"	1855.377806	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M-2H+K"	36.948606
"468115"	2764.592406	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M-2H+K"	36.948606
"848393"	946.163206	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-2H+K"	36.948606
"1567948"	946.163206	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K-2H"	36.948606
"958021"	954.212794	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+HCOOH"	44.998194
"377011"	1863.427401	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+HCOOH-H"	44.998201
"361326"	1877.443051	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Hac-H"	59.013851
"1505669"	968.228451	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Hac-H"	59.013851
"973211"	976.194751	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+NaCOOH"	66.980151
"121021"	944.184002	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2Cl"	69.938804
"555113"	1398.791302	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2Cl"	69.938804
"1026109"	489.576702	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2Cl"	69.938804
"1248972"	988.133485	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Br"	78.918885
"1308139"	990.189472	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl+HCOOH"	80.974872
"1330011"	1012.171429	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl+NaCOOH"	102.956829
"915601"	1022.200186	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M-H+CF3COOH"	112.985586
"1298871"	1058.176864	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Cl+CF3COOH"	148.962264
"1370836"	874.201924	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H-2H2O"	-35.012676
"1393437"	892.2119	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H-H2O"	-17.0027
"292031"	1819.436476	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H"	1.007276
"688826"	2728.651076	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H"	1.007276
"1358616"	910.221876	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H"	1.007276
"136970"	910.221876	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2H"	2.014552
"573252"	1364.829176	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2H"	2.014552
"1045332"	455.614576	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2H"	2.014552
"217486"	607.150342666667	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+3H"	3.021828
"658382"	910.221876	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+3H"	3.021828
"1176750"	304.078809333333	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+3H"	3.021828
"433099"	1836.463023	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+NH4"	18.033823
"795189"	2745.677623	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+NH4"	18.033823
"1684226"	927.248423	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+NH4"	18.033823
"333601"	918.7351495	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H+NH4"	19.041099
"726021"	1373.3424495	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H+NH4"	19.041099
"1481668"	464.1278495	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+NH4"	19.041099
"394875"	1841.418418	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Na"	22.989218
"759156"	2750.633018	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+Na"	22.989218
"1605430"	932.203818	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na"	22.989218
"315583"	921.212847	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H+Na"	23.996494
"710806"	1375.820147	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H+Na"	23.996494
"1465721"	466.605547	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+Na"	23.996494
"1060065"	311.406123333333	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2H+Na"	25.00377
"1268304"	942.248086	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+CH3OH+H"	33.033486
"387973"	1857.392358	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+K"	38.963158
"752615"	2766.606958	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+K"	38.963158
"1552115"	948.177758	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K"	38.963158
"314188"	929.199817	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+H+K"	39.970434
"703901"	1383.807117	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+H+K"	39.970434
"1454442"	474.592517	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+K"	39.970434
"247416"	1860.463026	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+ACN+H"	42.033826
"1222678"	951.248426	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+ACN+H"	42.033826
"1206196"	476.127851	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+ACN+2H"	43.041102
"195787"	1863.40036	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2Na-H"	44.97116
"636802"	2772.61496	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2Na-H"	44.97116
"1137760"	954.18576	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2Na-H"	44.97116
"179226"	932.203818	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2Na"	45.978436
"621703"	1386.811118	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2Na"	45.978436
"1130072"	477.596518	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2Na"	45.978436
"1410921"	318.733437333333	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+2Na"	46.985712
"1439761"	956.227346	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+HCOOH"	47.012746
"233830"	937.23684	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+3H2O+2H"	56.04448
"1518611"	970.27939	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+IsoProp+H"	61.06479
"419390"	940.190788	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+Na+K"	61.952376
"777105"	1394.798088	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+Na+K"	61.952376
"1671247"	485.583488	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na+K"	61.952376
"254485"	1882.444968	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+ACN+Na"	64.015768
"1230473"	973.230368	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+ACN+Na"	64.015768
"1717175"	973.253893	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+NH4+HCOOH"	64.039293
"1179612"	326.060751333333	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+3Na"	68.967654
"1657163"	978.209288	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na+HCOOH"	68.994688
"160378"	1895.34824	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2K-H"	76.91904
"599205"	2804.56284	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2K-H"	76.91904
"1099161"	986.13364	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2K-H"	76.91904
"155858"	948.177758	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"2M+2K"	77.926316
"596633"	1402.785058	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"3M+2K"	77.926316
"1082846"	493.570458	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2K"	77.926316
"1109859"	988.148192	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2K+H"	78.933592
"1348433"	988.235807	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+DMSO+H"	79.021207
"1020608"	992.274976	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2ACN+H"	83.060376
"1537275"	993.268608	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+IsoProp+Na+H"	84.054008
"997889"	496.641126	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+2ACN+2H"	84.067652
"1600047"	994.183228	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K+HCOOH"	84.968628
"1423520"	1024.214738	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+H+CF3COOH"	115.000138
"1153811"	517.154401	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+3ACN+2H"	125.094202
"1707737"	1041.241285	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+NH4+CF3COOH"	132.026685
"1645573"	1046.19668	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+Na+CF3COOH"	136.98208
"1574663"	1062.17062	"C05278"	"(R)-3-Hydroxycapryloyl-CoA"	"C29H50N7O18P3S"	"909.2146"	"M+K+CF3COOH"	152.95602
"807217"	945.251	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M"	0
"975403"	926.23261	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H2O-H"	-19.01839
"64728"	629.160057333333	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-3H"	-3.021828
"514026"	944.243724	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-3H"	-3.021828
"888547"	314.076390666667	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-3H"	-3.021828
"2748"	944.243724	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H"	-2.014552
"449960"	1416.869224	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H"	-2.014552
"818651"	471.618224	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H"	-2.014552
"83744"	1889.494724	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-H"	-1.007276
"527313"	2834.745724	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-H"	-1.007276
"898919"	944.243724	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H"	-1.007276
"47947"	1906.521271	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H+NH4"	16.019271
"489577"	2851.772271	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H+NH4"	16.019271
"875766"	961.270271	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H+NH4"	16.019271
"38196"	1911.476666	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H+Na"	20.974666
"474479"	2856.727666	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H+Na"	20.974666
"852279"	966.225666	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H+Na"	20.974666
"1624005"	966.225666	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na-2H"	20.974666
"103813"	962.232063	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-H+Cl"	33.962126
"546655"	1434.857563	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-H+Cl"	33.962126
"940903"	489.606563	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+Cl"	33.962126
"281651"	1925.471402	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Cl"	34.969402
"675617"	2870.722402	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+Cl"	34.969402
"1287933"	980.220402	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl"	34.969402
"30129"	1927.450606	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H+K"	36.948606
"468589"	2872.701606	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H+K"	36.948606
"847124"	982.199606	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H+K"	36.948606
"1568058"	982.199606	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K-2H"	36.948606
"955579"	990.249194	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+HCOOH"	44.998194
"375617"	1935.500201	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+HCOOH-H"	44.998201
"359136"	1949.515851	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Hac-H"	59.013851
"1506144"	1004.264851	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Hac-H"	59.013851
"972593"	1012.231151	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+NaCOOH"	66.980151
"121132"	980.220402	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2Cl"	69.938804
"555223"	1452.845902	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2Cl"	69.938804
"1028407"	507.594902	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2Cl"	69.938804
"1250175"	1024.169885	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Br"	78.918885
"1312624"	1026.225872	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl+HCOOH"	80.974872
"1330121"	1048.207829	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl+NaCOOH"	102.956829
"915711"	1058.236586	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+CF3COOH"	112.985586
"1297888"	1094.213264	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl+CF3COOH"	148.962264
"1369489"	910.238324	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H-2H2O"	-35.012676
"1388080"	928.2483	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H-H2O"	-17.0027
"288861"	1891.509276	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H"	1.007276
"682376"	2836.760276	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H"	1.007276
"1363098"	946.258276	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H"	1.007276
"133800"	946.258276	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2H"	2.014552
"572268"	1418.883776	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2H"	2.014552
"1044348"	473.632776	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2H"	2.014552
"216623"	631.174609333333	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+3H"	3.021828
"658127"	946.258276	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+3H"	3.021828
"1174305"	316.090942666667	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+3H"	3.021828
"433208"	1908.535823	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+NH4"	18.033823
"793112"	2853.786823	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+NH4"	18.033823
"1683242"	963.284823	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+NH4"	18.033823
"331884"	954.7715495	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H+NH4"	19.041099
"723699"	1427.3970495	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H+NH4"	19.041099
"1478125"	482.1460495	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+NH4"	19.041099
"392993"	1913.491218	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Na"	22.989218
"759264"	2858.742218	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+Na"	22.989218
"1605176"	968.240218	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na"	22.989218
"315933"	957.249247	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H+Na"	23.996494
"712009"	1429.874747	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H+Na"	23.996494
"1464003"	484.623747	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+Na"	23.996494
"1053732"	323.418256666667	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2H+Na"	25.00377
"1267319"	978.284486	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+CH3OH+H"	33.033486
"384801"	1929.465158	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+K"	38.963158
"743610"	2874.716158	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+K"	38.963158
"1545661"	984.214158	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K"	38.963158
"313048"	965.236217	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H+K"	39.970434
"704010"	1437.861717	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H+K"	39.970434
"1456738"	492.610717	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+K"	39.970434
"246432"	1932.535826	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+ACN+H"	42.033826
"1218047"	987.284826	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+ACN+H"	42.033826
"1205941"	494.146051	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+ACN+2H"	43.041102
"195897"	1935.47316	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2Na-H"	44.97116
"633266"	2880.72416	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2Na-H"	44.97116
"1137504"	990.22216	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2Na-H"	44.97116
"180064"	968.240218	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2Na"	45.978436
"619626"	1440.865718	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2Na"	45.978436
"1130548"	495.614718	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2Na"	45.978436
"1409937"	330.745570666667	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+2Na"	46.985712
"1440964"	992.263746	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+HCOOH"	47.012746
"233940"	973.27324	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+3H2O+2H"	56.04448
"1516534"	1006.31579	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+IsoProp+H"	61.06479
"419500"	976.227188	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Na+K"	61.952376
"777215"	1448.852688	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+Na+K"	61.952376
"1672450"	503.601688	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na+K"	61.952376
"254959"	1954.517768	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+ACN+Na"	64.015768
"1230583"	1009.266768	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+ACN+Na"	64.015768
"1717285"	1009.290293	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+NH4+HCOOH"	64.039293
"1180814"	338.072884666667	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+3Na"	68.967654
"1657273"	1014.245688	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na+HCOOH"	68.994688
"159395"	1967.42104	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2K-H"	76.91904
"599315"	2912.67204	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2K-H"	76.91904
"1096960"	1022.17004	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2K-H"	76.91904
"154873"	984.214158	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2K"	77.926316
"590784"	1456.839658	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2K"	77.926316
"1080769"	511.588658	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2K"	77.926316
"1112885"	1024.184592	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2K+H"	78.933592
"1348179"	1024.272207	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+DMSO+H"	79.021207
"1019625"	1028.311376	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2ACN+H"	83.060376
"1538478"	1029.305008	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+IsoProp+Na+H"	84.054008
"997999"	514.659326	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2ACN+2H"	84.067652
"1598700"	1030.219628	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K+HCOOH"	84.968628
"1423630"	1060.251138	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+CF3COOH"	115.000138
"1153921"	535.172601	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+3ACN+2H"	125.094202
"1707847"	1077.277685	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+NH4+CF3COOH"	132.026685
"1645683"	1082.23308	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na+CF3COOH"	136.98208
"1574773"	1098.20702	"C05279"	"transcis-Lauro-26-dienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K+CF3COOH"	152.95602
"807327"	945.251	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M"	0
"978672"	926.23261	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H2O-H"	-19.01839
"63630"	629.160057333333	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-3H"	-3.021828
"514136"	944.243724	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-3H"	-3.021828
"885377"	314.076390666667	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-3H"	-3.021828
"2858"	944.243724	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H"	-2.014552
"452257"	1416.869224	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H"	-2.014552
"827874"	471.618224	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H"	-2.014552
"88958"	1889.494724	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-H"	-1.007276
"523416"	2834.745724	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-H"	-1.007276
"899029"	944.243724	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H"	-1.007276
"55226"	1906.521271	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H+NH4"	16.019271
"490416"	2851.772271	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H+NH4"	16.019271
"872594"	961.270271	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H+NH4"	16.019271
"39399"	1911.476666	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H+Na"	20.974666
"477869"	2856.727666	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H+Na"	20.974666
"853482"	966.225666	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H+Na"	20.974666
"1621928"	966.225666	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na-2H"	20.974666
"96632"	962.232063	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-H+Cl"	33.962126
"545670"	1434.857563	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-H+Cl"	33.962126
"936999"	489.606563	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+Cl"	33.962126
"281516"	1925.471402	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Cl"	34.969402
"675161"	2870.722402	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+Cl"	34.969402
"1287560"	980.220402	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl"	34.969402
"30119"	1927.450606	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M-2H+K"	36.948606
"469063"	2872.701606	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M-2H+K"	36.948606
"845776"	982.199606	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-2H+K"	36.948606
"1568168"	982.199606	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K-2H"	36.948606
"956054"	990.249194	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+HCOOH"	44.998194
"374999"	1935.500201	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+HCOOH-H"	44.998201
"358517"	1949.515851	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Hac-H"	59.013851
"1505890"	1004.264851	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Hac-H"	59.013851
"971974"	1012.231151	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+NaCOOH"	66.980151
"123066"	980.220402	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2Cl"	69.938804
"562623"	1452.845902	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2Cl"	69.938804
"1036170"	507.594902	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2Cl"	69.938804
"1245910"	1024.169885	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Br"	78.918885
"1317835"	1026.225872	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl+HCOOH"	80.974872
"1334727"	1048.207829	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl+NaCOOH"	102.956829
"914728"	1058.236586	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M-H+CF3COOH"	112.985586
"1289611"	1094.213264	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Cl+CF3COOH"	148.962264
"1368503"	910.238324	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H-2H2O"	-35.012676
"1387097"	928.2483	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H-H2O"	-17.0027
"292249"	1891.509276	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H"	1.007276
"682486"	2836.760276	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H"	1.007276
"1363208"	946.258276	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H"	1.007276
"139377"	946.258276	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2H"	2.014552
"574564"	1418.883776	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2H"	2.014552
"1044822"	473.632776	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2H"	2.014552
"219291"	631.174609333333	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+3H"	3.021828
"656293"	946.258276	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+3H"	3.021828
"1176602"	316.090942666667	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+3H"	3.021828
"435506"	1908.535823	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+NH4"	18.033823
"797596"	2853.786823	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+NH4"	18.033823
"1686634"	963.284823	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+NH4"	18.033823
"331994"	954.7715495	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H+NH4"	19.041099
"724052"	1427.3970495	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H+NH4"	19.041099
"1478965"	482.1460495	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+NH4"	19.041099
"394729"	1913.491218	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Na"	22.989218
"758281"	2858.742218	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+Na"	22.989218
"1604554"	968.240218	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na"	22.989218
"315318"	957.249247	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H+Na"	23.996494
"710296"	1429.874747	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H+Na"	23.996494
"1463749"	484.623747	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+Na"	23.996494
"1057002"	323.418256666667	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2H+Na"	25.00377
"1268522"	978.284486	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+CH3OH+H"	33.033486
"386004"	1929.465158	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+K"	38.963158
"744813"	2874.716158	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+K"	38.963158
"1547958"	984.214158	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K"	38.963158
"308416"	965.236217	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+H+K"	39.970434
"704118"	1437.861717	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+H+K"	39.970434
"1457938"	492.610717	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+K"	39.970434
"247270"	1932.535826	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+ACN+H"	42.033826
"1221073"	987.284826	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+ACN+H"	42.033826
"1205320"	494.146051	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+ACN+2H"	43.041102
"194913"	1935.47316	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2Na-H"	44.97116
"635563"	2880.72416	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2Na-H"	44.97116
"1137979"	990.22216	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2Na-H"	44.97116
"183454"	968.240218	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2Na"	45.978436
"616452"	1440.865718	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2Na"	45.978436
"1130053"	495.614718	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2Na"	45.978436
"1409683"	330.745570666667	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+2Na"	46.985712
"1443627"	992.263746	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+HCOOH"	47.012746
"233930"	973.27324	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+3H2O+2H"	56.04448
"1517737"	1006.31579	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+IsoProp+H"	61.06479
"419609"	976.227188	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+Na+K"	61.952376
"779511"	1448.852688	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+Na+K"	61.952376
"1677662"	503.601688	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na+K"	61.952376
"259078"	1954.517768	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+ACN+Na"	64.015768
"1227412"	1009.266768	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+ACN+Na"	64.015768
"1717395"	1009.290293	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+NH4+HCOOH"	64.039293
"1181655"	338.072884666667	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+3Na"	68.967654
"1657383"	1014.245688	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na+HCOOH"	68.994688
"158776"	1967.42104	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2K-H"	76.91904
"600156"	2912.67204	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2K-H"	76.91904
"1097799"	1022.17004	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2K-H"	76.91904
"156075"	984.214158	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"2M+2K"	77.926316
"596001"	1456.839658	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"3M+2K"	77.926316
"1080876"	511.588658	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2K"	77.926316
"1111900"	1024.184592	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2K+H"	78.933592
"1342816"	1024.272207	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+DMSO+H"	79.021207
"1018274"	1028.311376	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2ACN+H"	83.060376
"1532752"	1029.305008	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+IsoProp+Na+H"	84.054008
"1001390"	514.659326	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+2ACN+2H"	84.067652
"1598080"	1030.219628	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K+HCOOH"	84.968628
"1423740"	1060.251138	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+H+CF3COOH"	115.000138
"1155121"	535.172601	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+3ACN+2H"	125.094202
"1701393"	1077.277685	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+NH4+CF3COOH"	132.026685
"1645793"	1082.23308	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+Na+CF3COOH"	136.98208
"1574883"	1098.20702	"C05280"	"ciscis-36-Dodecadienoyl-CoA"	"C33H54N7O17P3S"	"945.251"	"M+K+CF3COOH"	152.95602
"810717"	142.0378	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M"	0
"978782"	123.01941	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-H2O-H"	-19.01839
"64833"	93.6845906666667	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M-3H"	-3.021828
"514246"	141.030524	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M-3H"	-3.021828
"885487"	46.3386573333333	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-3H"	-3.021828
"4061"	141.030524	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M-2H"	-2.014552
"454192"	212.049424	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M-2H"	-2.014552
"829080"	70.011624	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-2H"	-2.014552
"90163"	283.068324	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M-H"	-1.007276
"529723"	425.106124	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M-H"	-1.007276
"900962"	141.030524	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-H"	-1.007276
"55336"	300.094871	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M-2H+NH4"	16.019271
"489554"	442.132671	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M-2H+NH4"	16.019271
"872703"	158.057071	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-2H+NH4"	16.019271
"39509"	305.050266	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M-2H+Na"	20.974666
"475792"	447.088066	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M-2H+Na"	20.974666
"851404"	163.012466	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-2H+Na"	20.974666
"1622038"	163.012466	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Na-2H"	20.974666
"98564"	159.018863	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M-H+Cl"	33.962126
"540312"	230.037763	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M-H+Cl"	33.962126
"939296"	87.999963	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-H+Cl"	33.962126
"280896"	319.045002	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+Cl"	34.969402
"674418"	461.082802	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+Cl"	34.969402
"1286937"	177.007202	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Cl"	34.969402
"29615"	321.024206	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M-2H+K"	36.948606
"468080"	463.062006	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M-2H+K"	36.948606
"847342"	178.986406	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-2H+K"	36.948606
"1566091"	178.986406	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+K-2H"	36.948606
"955798"	187.035994	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-H+HCOOH"	44.998194
"374742"	329.073801	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+HCOOH-H"	44.998201
"356806"	343.089451	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+Hac-H"	59.013851
"1504178"	201.051651	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Hac-H"	59.013851
"969165"	209.017951	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-H+NaCOOH"	66.980151
"121350"	177.007202	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+2Cl"	69.938804
"558724"	248.026102	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+2Cl"	69.938804
"1034458"	105.988302	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2Cl"	69.938804
"1241640"	220.956685	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Br"	78.918885
"1310654"	223.012672	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Cl+HCOOH"	80.974872
"1331433"	244.994629	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Cl+NaCOOH"	102.956829
"920303"	255.023386	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M-H+CF3COOH"	112.985586
"1290815"	291.000064	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Cl+CF3COOH"	148.962264
"1367084"	107.025124	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H-2H2O"	-35.012676
"1389392"	125.0351	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H-H2O"	-17.0027
"284096"	285.082876	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+H"	1.007276
"683689"	427.120676	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+H"	1.007276
"1357851"	143.045076	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H"	1.007276
"129645"	143.045076	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+2H"	2.014552
"574672"	214.063976	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+2H"	2.014552
"1048941"	72.026176	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2H"	2.014552
"215749"	95.6991426666667	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+3H"	3.021828
"655308"	143.045076	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+3H"	3.021828
"1174525"	48.3532093333333	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+3H"	3.021828
"434518"	302.109423	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+NH4"	18.033823
"797704"	444.147223	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+NH4"	18.033823
"1685650"	160.071623	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+NH4"	18.033823
"331739"	151.5583495	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+H+NH4"	19.041099
"723796"	222.5772495	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+H+NH4"	19.041099
"1479440"	80.5394495	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H+NH4"	19.041099
"394109"	307.064818	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+Na"	22.989218
"758391"	449.102618	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+Na"	22.989218
"1605395"	165.027018	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Na"	22.989218
"317615"	154.036047	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+H+Na"	23.996494
"711137"	225.054947	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+H+Na"	23.996494
"1464590"	83.017147	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H+Na"	23.996494
"1056019"	55.6805233333333	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2H+Na"	25.00377
"1268632"	175.071286	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+CH3OH+H"	33.033486
"387207"	323.038758	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+K"	38.963158
"746016"	465.076558	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+K"	38.963158
"1549163"	181.000958	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+K"	38.963158
"312902"	162.023017	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+H+K"	39.970434
"704229"	233.041917	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+H+K"	39.970434
"1456955"	91.004117	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H+K"	39.970434
"248109"	326.109426	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+ACN+H"	42.033826
"1221547"	184.071626	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+ACN+H"	42.033826
"1205795"	92.539451	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+ACN+2H"	43.041102
"196116"	329.04676	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+2Na-H"	44.97116
"634945"	471.08456	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+2Na-H"	44.97116
"1139182"	187.00896	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2Na-H"	44.97116
"183564"	165.027018	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+2Na"	45.978436
"617655"	236.045918	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+2Na"	45.978436
"1130525"	94.008118	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2Na"	45.978436
"1410157"	63.0078373333333	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H+2Na"	46.985712
"1443008"	189.050546	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H+HCOOH"	47.012746
"232702"	170.06004	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+3H2O+2H"	56.04448
"1518940"	203.10259	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+IsoProp+H"	61.06479
"418626"	173.013988	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+Na+K"	61.952376
"777799"	244.032888	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+Na+K"	61.952376
"1677044"	101.995088	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Na+K"	61.952376
"262468"	348.091368	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+ACN+Na"	64.015768
"1227523"	206.053568	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+ACN+Na"	64.015768
"1720785"	206.077093	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+NH4+HCOOH"	64.039293
"1181765"	70.3351513333333	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+3Na"	68.967654
"1650928"	211.032488	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Na+HCOOH"	68.994688
"159612"	360.99464	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+2K-H"	76.91904
"600266"	503.03244	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+2K-H"	76.91904
"1093534"	218.95684	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2K-H"	76.91904
"152904"	181.000958	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"2M+2K"	77.926316
"591735"	252.019858	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"3M+2K"	77.926316
"1076611"	109.982058	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2K"	77.926316
"1110916"	220.971392	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2K+H"	78.933592
"1341832"	221.059007	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+DMSO+H"	79.021207
"1016926"	225.098176	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2ACN+H"	83.060376
"1528488"	226.091808	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+IsoProp+Na+H"	84.054008
"998219"	113.052726	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+2ACN+2H"	84.067652
"1594910"	227.006428	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+K+HCOOH"	84.968628
"1415467"	257.037938	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+H+CF3COOH"	115.000138
"1150858"	133.566001	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+3ACN+2H"	125.094202
"1699680"	274.064485	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+NH4+CF3COOH"	132.026685
"1642623"	279.01988	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+Na+CF3COOH"	136.98208
"1572805"	294.99382	"C05281"	"5-Methylbarbiturate;5-Methylbarbituric acid"	"C5H6N2O3"	"142.0378"	"M+K+CF3COOH"	152.95602
"807547"	276.0958	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M"	0
"978892"	257.07741	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-H2O-H"	-19.01839
"64942"	183.056590666667	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M-3H"	-3.021828
"507796"	275.088524	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M-3H"	-3.021828
"885597"	91.0246573333333	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-3H"	-3.021828
"3078"	275.088524	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M-2H"	-2.014552
"451385"	413.136424	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M-2H"	-2.014552
"829918"	137.040624	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-2H"	-2.014552
"91366"	551.184324	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M-H"	-1.007276
"527646"	827.280124	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M-H"	-1.007276
"902166"	275.088524	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-H"	-1.007276
"54353"	568.210871	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M-2H+NH4"	16.019271
"490636"	844.306671	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M-2H+NH4"	16.019271
"865885"	292.115071	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-2H+NH4"	16.019271
"36339"	573.166266	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M-2H+Na"	20.974666
"475902"	849.262066	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M-2H+Na"	20.974666
"850420"	297.070466	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-2H+Na"	20.974666
"1621173"	297.070466	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Na-2H"	20.974666
"98674"	293.076863	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M-H+Cl"	33.962126
"540422"	431.124763	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M-H+Cl"	33.962126
"940499"	155.028963	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-H+Cl"	33.962126
"282099"	587.161002	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+Cl"	34.969402
"674529"	863.256802	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+Cl"	34.969402
"1287047"	311.065202	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Cl"	34.969402
"30778"	589.140206	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M-2H+K"	36.948606
"469648"	865.236006	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M-2H+K"	36.948606
"847736"	313.044406	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-2H+K"	36.948606
"1562920"	313.044406	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+K-2H"	36.948606
"955544"	321.093994	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-H+HCOOH"	44.998194
"374488"	597.189801	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+HCOOH-H"	44.998201
"355823"	611.205451	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+Hac-H"	59.013851
"1504652"	335.109651	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Hac-H"	59.013851
"970004"	343.075951	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-H+NaCOOH"	66.980151
"121096"	311.065202	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+2Cl"	69.938804
"559927"	449.113102	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+2Cl"	69.938804
"1030921"	173.017302	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2Cl"	69.938804
"1254874"	355.014685	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Br"	78.918885
"1310760"	357.070672	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Cl+HCOOH"	80.974872
"1331543"	379.052629	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Cl+NaCOOH"	102.956829
"920413"	389.081386	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M-H+CF3COOH"	112.985586
"1290925"	425.058064	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Cl+CF3COOH"	148.962264
"1367386"	241.083124	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H-2H2O"	-35.012676
"1388408"	259.0931	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H-H2O"	-17.0027
"285178"	553.198876	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+H"	1.007276
"681976"	829.294676	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+H"	1.007276
"1354680"	277.103076	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H"	1.007276
"129390"	277.103076	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+2H"	2.014552
"571502"	415.150976	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+2H"	2.014552
"1047957"	139.055176	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2H"	2.014552
"213672"	185.071142666667	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+3H"	3.021828
"657604"	277.103076	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+3H"	3.021828
"1172449"	93.0392093333333	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+3H"	3.021828
"433534"	570.225423	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+NH4"	18.033823
"794534"	846.321223	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+NH4"	18.033823
"1686853"	294.129623	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+NH4"	18.033823
"332943"	285.6163495	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+H+NH4"	19.041099
"726095"	423.6642495	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+H+NH4"	19.041099
"1479915"	147.5684495	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H+NH4"	19.041099
"394221"	575.180818	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+Na"	22.989218
"757408"	851.276618	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+Na"	22.989218
"1603804"	299.085018	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Na"	22.989218
"317725"	288.094047	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+H+Na"	23.996494
"710154"	426.141947	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+H+Na"	23.996494
"1465067"	150.046147	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H+Na"	23.996494
"1056129"	100.366523333333	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2H+Na"	25.00377
"1259994"	309.129286	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+CH3OH+H"	33.033486
"388411"	591.154758	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+K"	38.963158
"746126"	867.250558	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+K"	38.963158
"1549273"	315.058958	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+K"	38.963158
"313013"	296.081017	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+H+K"	39.970434
"702151"	434.128917	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+H+K"	39.970434
"1459252"	158.033117	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H+K"	39.970434
"247854"	594.225426	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+ACN+H"	42.033826
"1222387"	318.129626	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+ACN+H"	42.033826
"1204447"	159.568451	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+ACN+2H"	43.041102
"195133"	597.16276	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+2Na-H"	44.97116
"634691"	873.25856	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+2Na-H"	44.97116
"1139292"	321.06696	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2Na-H"	44.97116
"181488"	299.085018	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+2Na"	45.978436
"616307"	437.132918	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+2Na"	45.978436
"1130999"	161.037118	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2Na"	45.978436
"1409903"	107.693837333333	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H+2Na"	46.985712
"1443118"	323.108546	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H+HCOOH"	47.012746
"230989"	304.11804	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+3H2O+2H"	56.04448
"1517957"	337.16059	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+IsoProp+H"	61.06479
"417642"	307.071988	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+Na+K"	61.952376
"778637"	445.119888	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+Na+K"	61.952376
"1677153"	169.024088	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Na+K"	61.952376
"259298"	616.207368	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+ACN+Na"	64.015768
"1226173"	340.111568	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+ACN+Na"	64.015768
"1719801"	340.135093	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+NH4+HCOOH"	64.039293
"1181875"	115.021151333333	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+3Na"	68.967654
"1650305"	345.090488	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Na+HCOOH"	68.994688
"159722"	629.11064	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+2K-H"	76.91904
"599524"	905.20644	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+2K-H"	76.91904
"1089270"	353.01484	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2K-H"	76.91904
"150461"	315.058958	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"2M+2K"	77.926316
"588928"	453.106858	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"3M+2K"	77.926316
"1076721"	177.011058	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2K"	77.926316
"1112848"	355.029392	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2K+H"	78.933592
"1341942"	355.117007	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+DMSO+H"	79.021207
"1017764"	359.156176	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2ACN+H"	83.060376
"1529691"	360.149808	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+IsoProp+Na+H"	84.054008
"998329"	180.081726	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+2ACN+2H"	84.067652
"1595020"	361.064428	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+K+HCOOH"	84.968628
"1414848"	391.095938	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+H+CF3COOH"	115.000138
"1150968"	200.595001	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+3ACN+2H"	125.094202
"1699790"	408.122485	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+NH4+CF3COOH"	132.026685
"1642733"	413.07788	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+Na+CF3COOH"	136.98208
"1572915"	429.05182	"C05282"	"(5-L-Glutamyl)-L-glutamate"	"C10H16N2O7"	"276.0958"	"M+K+CF3COOH"	152.95602
"810937"	275.1117	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M"	0
"979002"	256.09331	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-H2O-H"	-19.01839
"66147"	182.400524	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M-3H"	-3.021828
"518074"	274.104424	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M-3H"	-3.021828
"895145"	90.696624	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-3H"	-3.021828
"10843"	274.104424	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M-2H"	-2.014552
"452589"	411.660274	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M-2H"	-2.014552
"830758"	136.548574	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-2H"	-2.014552
"91476"	549.216124	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M-H"	-1.007276
"529943"	824.327824	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M-H"	-1.007276
"902276"	274.104424	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-H"	-1.007276
"54463"	566.242671	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M-2H+NH4"	16.019271
"491110"	841.354371	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M-2H+NH4"	16.019271
"869642"	291.130971	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-2H+NH4"	16.019271
"34261"	571.198066	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M-2H+Na"	20.974666
"477105"	846.309766	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M-2H+Na"	20.974666
"850530"	296.086366	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-2H+Na"	20.974666
"1623713"	296.086366	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Na-2H"	20.974666
"99877"	292.092763	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M-H+Cl"	33.962126
"540532"	429.648613	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M-H+Cl"	33.962126
"940610"	154.536913	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-H+Cl"	33.962126
"280996"	585.192802	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+Cl"	34.969402
"675492"	860.304502	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+Cl"	34.969402
"1288343"	310.081102	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Cl"	34.969402
"31403"	587.172006	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M-2H+K"	36.948606
"469393"	862.283706	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M-2H+K"	36.948606
"846101"	312.060306	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-2H+K"	36.948606
"1567404"	312.060306	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+K-2H"	36.948606
"956382"	320.109894	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-H+HCOOH"	44.998194
"374597"	595.221601	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+HCOOH-H"	44.998201
"358483"	609.237251	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+Hac-H"	59.013851
"1504033"	334.125551	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Hac-H"	59.013851
"971208"	342.091851	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-H+NaCOOH"	66.980151
"117196"	310.081102	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+2Cl"	69.938804
"558944"	447.636952	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+2Cl"	69.938804
"1031029"	172.525252	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2Cl"	69.938804
"1253892"	354.030585	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Br"	78.918885
"1317434"	356.086572	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Cl+HCOOH"	80.974872
"1334812"	378.068529	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Cl+NaCOOH"	102.956829
"920524"	388.097286	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M-H+CF3COOH"	112.985586
"1293954"	424.073964	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Cl+CF3COOH"	148.962264
"1368467"	240.099024	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H-2H2O"	-35.012676
"1389612"	258.109	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H-H2O"	-17.0027
"284559"	551.230676	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+H"	1.007276
"686095"	826.342376	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+H"	1.007276
"1361352"	276.118976	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H"	1.007276
"134239"	276.118976	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+2H"	2.014552
"573799"	413.674826	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+2H"	2.014552
"1051833"	138.563126	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2H"	2.014552
"214875"	184.415076	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+3H"	3.021828
"656621"	276.118976	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+3H"	3.021828
"1172559"	92.711176	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+3H"	3.021828
"431458"	568.257223	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+NH4"	18.033823
"795735"	843.368923	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+NH4"	18.033823
"1685506"	293.145523	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+NH4"	18.033823
"331234"	284.6322495	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+H+NH4"	19.041099
"723896"	422.1880995	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+H+NH4"	19.041099
"1481118"	147.0763995	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H+NH4"	19.041099
"394937"	573.212618	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+Na"	22.989218
"755693"	848.324318	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+Na"	22.989218
"1603908"	298.100918	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Na"	22.989218
"316014"	287.109947	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+H+Na"	23.996494
"709163"	424.665797	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+H+Na"	23.996494
"1464440"	149.554097	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H+Na"	23.996494
"1061706"	100.03849	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2H+Na"	25.00377
"1268488"	308.145186	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+CH3OH+H"	33.033486
"388521"	589.186558	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+K"	38.963158
"746236"	864.298258	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+K"	38.963158
"1547196"	314.074858	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+K"	38.963158
"314259"	295.096917	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+H+K"	39.970434
"702261"	432.652767	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+H+K"	39.970434
"1458633"	157.541067	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H+K"	39.970434
"245776"	592.257226	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+ACN+H"	42.033826
"1219580"	317.145526	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+ACN+H"	42.033826
"1203464"	159.076401	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+ACN+2H"	43.041102
"198522"	595.19456	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+2Na-H"	44.97116
"638081"	870.30626	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+2Na-H"	44.97116
"1141586"	320.08286	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2Na-H"	44.97116
"181598"	298.100918	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+2Na"	45.978436
"618240"	435.656768	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+2Na"	45.978436
"1131245"	160.545068	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2Na"	45.978436
"1410013"	107.365804	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H+2Na"	46.985712
"1445487"	322.124446	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H+HCOOH"	47.012746
"234867"	303.13394	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+3H2O+2H"	56.04448
"1520253"	336.17649	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+IsoProp+H"	61.06479
"417751"	306.087888	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+Na+K"	61.952376
"779477"	443.643738	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+Na+K"	61.952376
"1676169"	168.532038	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Na+K"	61.952376
"259408"	614.239168	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+ACN+Na"	64.015768
"1228835"	339.127468	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+ACN+Na"	64.015768
"1722098"	339.150993	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+NH4+HCOOH"	64.039293
"1185265"	114.693118	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+3Na"	68.967654
"1651753"	344.106388	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Na+HCOOH"	68.994688
"160925"	627.14244	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+2K-H"	76.91904
"601578"	902.25414	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+2K-H"	76.91904
"1091567"	352.03074	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2K-H"	76.91904
"151664"	314.074858	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"2M+2K"	77.926316
"590131"	451.630708	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"3M+2K"	77.926316
"1080111"	176.519008	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2K"	77.926316
"1112958"	354.045292	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2K+H"	78.933592
"1342052"	354.132907	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+DMSO+H"	79.021207
"1017145"	358.172076	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2ACN+H"	83.060376
"1531988"	359.165708	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+IsoProp+Na+H"	84.054008
"997346"	179.589676	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+2ACN+2H"	84.067652
"1595130"	360.080328	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+K+HCOOH"	84.968628
"1417510"	390.111838	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+H+CF3COOH"	115.000138
"1154358"	200.102951	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+3ACN+2H"	125.094202
"1699900"	407.138385	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+NH4+CF3COOH"	132.026685
"1639563"	412.09378	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+Na+CF3COOH"	136.98208
"1571399"	428.06772	"C05283"	"(5-L-Glutamyl)-L-glutamine"	"C10H17N3O6"	"275.1117"	"M+K+CF3COOH"	152.95602
"807767"	302.1882	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M"	0
"979112"	283.16981	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"65163"	200.451524	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"516766"	301.180924	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"888004"	99.722124	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"7673"	301.180924	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"447232"	452.275024	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"825034"	150.086824	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"89399"	603.369124	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"524585"	905.557324	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"896917"	301.180924	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"48012"	620.395671	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"493043"	922.583871	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"866471"	318.207471	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"34371"	625.351066	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"478307"	927.539266	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"853921"	323.162866	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1623458"	323.162866	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"98894"	319.169263	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"538452"	470.263363	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"940356"	168.075163	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"281834"	639.345802	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"675311"	941.534002	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1287836"	337.157602	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"29944"	641.325006	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"469139"	943.513206	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"845114"	339.136806	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1568607"	339.136806	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"956494"	347.186394	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"374707"	649.374601	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"358229"	663.390251	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1504143"	361.202051	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"971683"	369.168351	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"118399"	337.157602	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"559053"	488.251702	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1030046"	186.063502	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1255094"	381.107085	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1317543"	383.163072	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1333825"	405.145029	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"920634"	415.173786	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1294064"	451.150464	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1367850"	267.175524	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1389722"	285.1855	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"284305"	605.383676	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"684018"	907.571876	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1359274"	303.195476	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"131069"	303.195476	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"573909"	454.289576	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1042708"	152.101376	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"213892"	202.466076	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"654544"	303.195476	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1170482"	101.736676	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"431568"	622.410223	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"792565"	924.598423	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1683428"	320.222023	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"332438"	311.7087495	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"723762"	462.8028495	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1480135"	160.6146495	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"395534"	627.365618	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"755439"	929.553818	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1603048"	325.177418	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"315759"	314.186447	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"709273"	465.280547	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1464551"	163.092347	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1061816"	109.06399	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1268234"	335.221686	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"388996"	643.339558	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"747439"	945.527758	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1547306"	341.151358	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"313233"	322.173417	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"701278"	473.267517	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1456920"	171.079317	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"245886"	646.410226	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1219326"	344.222026	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1205762"	172.614651	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"199362"	649.34756	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"638192"	951.53576	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1143519"	347.15936	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"182801"	325.177418	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"619080"	476.271518	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1131139"	174.083318	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1410852"	116.391304	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1444798"	349.200946	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"233762"	330.21044	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1519270"	363.25299	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"417861"	333.164388	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"778858"	484.258488	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1675915"	182.070288	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"259518"	668.392168	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1227487"	366.203968	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1722208"	366.227493	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1185375"	123.718618	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1650405"	371.182888	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"158360"	681.29544	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"599137"	983.48364	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1092771"	379.10724	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"151774"	341.151358	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"591334"	492.245458	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1079857"	190.057258	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1110880"	381.121792	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1339975"	381.209407	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1016527"	385.248576	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1533921"	386.242208	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"994176"	193.127926	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1595240"	387.156828	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1417983"	417.188338	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1154468"	213.641201	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1699646"	434.214885	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1639673"	439.17028	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1571592"	455.14422	"C05284"	"11beta-Hydroxyandrost-4-ene-317-dione;Androst-4-ene-317-dione-11beta-ol;4-Androsten-11beta-ol-317-dione"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"807877"	300.1725	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M"	0
"980315"	281.15411	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"66366"	199.107724	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"515780"	299.165224	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"889207"	99.050224	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"13250"	299.165224	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"453175"	449.251474	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"830977"	149.078974	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"87323"	599.337724	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"524696"	899.510224	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"897148"	299.165224	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"49215"	616.364271	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"495339"	916.536771	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"868767"	316.191771	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"33387"	621.319666	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"480603"	921.492166	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"851844"	321.147166	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1621376"	321.147166	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"102283"	317.153563	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"544392"	467.239813	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"937548"	167.067313	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"282186"	635.314402	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"674977"	935.486902	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1287013"	335.141902	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"29812"	637.293606	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"470588"	937.466106	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"845224"	337.121106	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1569569"	337.121106	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"955511"	345.170694	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"374816"	645.343201	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"357610"	659.358851	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1506440"	359.186351	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"972523"	367.152651	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"117416"	335.141902	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"556977"	485.228152	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1024683"	185.055652	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1254113"	379.091385	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1314374"	381.147372	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1334056"	403.129329	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"921832"	413.158086	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1293074"	449.134764	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1370145"	265.159824	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1387645"	283.1698	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"284051"	601.352276	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"683035"	901.524776	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1358290"	301.179776	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"132272"	301.179776	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"571832"	451.266026	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1040631"	151.093526	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"212909"	201.122276	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"654655"	301.179776	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1173873"	101.064776	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"432772"	618.378823	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"797050"	918.551323	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1692288"	318.206323	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"332912"	309.6930495	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"725692"	459.7792995	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1480607"	159.6067995	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"397830"	623.334218	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"755911"	923.506718	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1603766"	323.161718	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"315504"	312.170747	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"709019"	462.256997	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1463205"	162.084497	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1063019"	108.39209	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1268709"	333.205986	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"388742"	639.308158	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"746456"	939.480658	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1546321"	339.135658	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"311883"	320.157717	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"702481"	470.243967	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1453020"	170.071467	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"247454"	642.378826	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1221621"	342.206326	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1207693"	171.606801	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"202023"	645.31616	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"639395"	945.48866	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1143996"	345.14366	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"181817"	323.161718	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"619190"	473.247968	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1129872"	173.075468	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1410597"	115.719404	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1440898"	347.185246	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"228039"	328.19474	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1517194"	361.23729	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"420888"	331.148688	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"776782"	481.234938	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1676391"	181.062438	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"259628"	664.360768	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1229784"	364.188268	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1722318"	364.211793	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1186579"	123.046718	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1650677"	369.167188	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"159686"	677.26404	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"599976"	977.43654	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1088507"	377.09154	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"149699"	339.135658	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"589624"	489.221908	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1077781"	189.049408	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1106981"	379.106092	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1340085"	379.193707	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1016637"	383.232876	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1534396"	384.226508	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"995379"	192.120076	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1596443"	385.141128	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1421009"	415.172638	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1157857"	212.633351	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1699756"	432.199185	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1639783"	437.15458	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1571375"	453.12852	"C05285"	"Adrenosterone"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"812362"	302.1882	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M"	0
"979332"	283.16981	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"65386"	200.451524	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"514797"	301.180924	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"894301"	99.722124	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"15184"	301.180924	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"454744"	452.275024	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"829994"	150.086824	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"88526"	603.369124	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"525899"	905.557324	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"901512"	301.180924	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"52606"	620.395671	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"495449"	922.583871	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"868877"	318.207471	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"32646"	625.351066	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"479620"	927.539266	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"851954"	323.162866	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1620757"	323.162866	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"103485"	319.169263	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"544137"	470.263363	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"935467"	168.075163	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"275121"	639.345802	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"671919"	941.534002	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1284323"	337.157602	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"29067"	641.325006	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"469724"	943.513206	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"838774"	339.136806	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1566639"	339.136806	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"953434"	347.186394	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"375658"	649.374601	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"358448"	663.390251	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1506550"	361.202051	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"970083"	369.168351	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"122630"	337.157602	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"557087"	488.251702	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1024429"	186.063502	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1243646"	381.107085	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1311203"	383.163072	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1334044"	405.145029	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"921942"	415.173786	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1291725"	451.150464	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1370255"	267.175524	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1386662"	285.1855	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"284524"	605.383676	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"678771"	907.571876	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1359493"	303.195476	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"132382"	303.195476	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"568662"	454.289576	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1040741"	152.101376	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"210833"	202.466076	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"653672"	303.195476	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1174713"	101.736676	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"433978"	622.410223	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"792785"	924.598423	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1686929"	320.222023	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"332293"	311.7087495	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"723978"	462.8028495	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1478891"	160.6146495	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"394658"	627.365618	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"755170"	929.553818	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1604846"	325.177418	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"316344"	314.186447	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"709004"	465.280547	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1462950"	163.092347	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1059849"	109.06399	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1269186"	335.221686	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"391041"	643.339558	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"751672"	945.527758	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1547526"	341.151358	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"311265"	322.173417	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"705875"	473.267517	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1458236"	171.079317	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"247566"	646.410226	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1223801"	344.222026	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1208049"	172.614651	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"202255"	649.34756	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"641692"	951.53576	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1141917"	347.15936	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"180834"	325.177418	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"624768"	476.271518	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1129738"	174.083318	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1413674"	116.391304	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1440644"	349.200946	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"231429"	330.21044	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1520220"	363.25299	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"422093"	333.164388	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"780171"	484.258488	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1677230"	182.070288	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"261925"	668.392168	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1229530"	366.203968	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1722428"	366.227493	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1186689"	123.718618	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1650747"	371.182888	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"159796"	681.29544	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"600450"	983.48364	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1091897"	379.10724	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"150174"	341.151358	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"591921"	492.245458	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1081539"	190.057258	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1112926"	381.121792	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1347487"	381.209407	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1016383"	385.248576	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1535966"	386.242208	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"1001686"	193.127926	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1593274"	387.156828	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1421120"	417.188338	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1151409"	213.641201	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1702053"	434.214885	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1643172"	439.17028	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1574450"	455.14422	"C05290"	"19-Hydroxyandrost-4-ene-317-dione;19-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"808097"	304.2038	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M"	0
"981629"	285.18541	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"64399"	201.795257333333	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"518068"	303.196524	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"895638"	100.393990666667	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"15707"	303.196524	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"455610"	455.298424	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"832659"	151.094624	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"87543"	607.400324	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"528197"	911.604124	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"902716"	303.196524	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"52717"	624.426871	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"492279"	928.630671	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"868987"	320.223071	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"32391"	629.382266	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"483011"	933.586066	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"852064"	325.178466	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1620868"	325.178466	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"100315"	321.184863	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"543155"	473.286763	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"935578"	169.082963	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"275231"	643.377002	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"671665"	947.580802	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1285526"	339.173202	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"22615"	645.356206	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"471093"	949.560006	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"846175"	341.152406	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1567841"	341.152406	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"956458"	349.201994	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"373947"	653.405801	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"358921"	667.421451	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1506657"	363.217651	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"972741"	371.183951	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"113264"	339.173202	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"553916"	491.275102	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1024905"	187.071302	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1248860"	383.122685	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1309120"	385.178672	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1332088"	407.160629	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"922052"	417.189386	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1298762"	453.166064	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1369270"	269.191124	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1386772"	287.2011	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"283418"	609.414876	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"679974"	913.618676	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1356323"	305.211076	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"133585"	305.211076	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"569500"	457.312976	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1043402"	153.109176	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"213127"	203.809809333333	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"652690"	305.211076	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1171907"	102.408542666667	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"434086"	626.441423	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"791803"	930.645223	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1688135"	322.237623	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"333495"	313.7243495	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"724454"	465.8262495	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1478636"	161.6224495	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"395136"	631.396818	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"757955"	935.600618	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1606053"	327.193018	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"315481"	316.202047	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"709235"	468.303947	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1462087"	164.100147	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1059959"	109.735856666667	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1270388"	337.237286	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"391150"	647.370758	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"752510"	951.574558	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1548729"	343.166958	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"312467"	324.189017	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"705256"	476.290917	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1459438"	172.087117	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"249133"	650.441426	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1222937"	346.237626	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1207185"	173.622451	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"201879"	653.37876	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"641439"	957.58256	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1144214"	349.17496	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"178028"	327.193018	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"624878"	479.294918	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1130576"	175.091118	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1413621"	117.063170666667	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1442210"	351.216546	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"229352"	332.22604	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1520694"	365.26859	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"422201"	335.179988	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"779186"	487.281888	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1672236"	183.078088	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"257296"	672.423368	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1227089"	368.219568	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1720351"	368.243093	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1186799"	124.390484666667	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1650367"	373.198488	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"159177"	685.32664	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"600560"	989.53044	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1093100"	381.12284	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"149917"	343.166958	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"588384"	495.268858	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1079824"	191.065058	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1106109"	383.137392	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1349053"	383.225007	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1019045"	387.264176	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1535709"	388.257808	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"1001796"	194.135726	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1593384"	389.172428	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1422323"	419.203938	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1151519"	214.649001	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1703256"	436.230485	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1643282"	441.18588	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1574560"	457.15982	"C05291"	"7alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"808207"	290.2246	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M"	0
"981739"	271.20621	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"64510"	192.475790666667	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"517571"	289.217324	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"893914"	95.7342573333333	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"14677"	289.217324	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"455332"	434.329624	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"832769"	144.105024	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"89840"	579.441924	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"530494"	869.666524	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"905013"	289.217324	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"52827"	596.468471	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"492389"	886.693071	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"870191"	306.243871	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"31890"	601.423866	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"476923"	891.648466	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"849985"	311.199266	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1620249"	311.199266	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"103706"	307.205663	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"542172"	452.317963	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"935689"	162.093363	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"275342"	615.418602	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"671044"	905.643202	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1284543"	325.194002	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"22725"	617.397806	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"471243"	907.622406	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"846649"	327.173206	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1567951"	327.173206	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"956932"	335.222794	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"374057"	625.447401	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"357935"	639.463051	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1506768"	349.238451	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"971027"	357.204751	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"113374"	325.194002	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"552202"	470.306302	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1029389"	180.081702	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1250063"	369.143485	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1312509"	371.199472	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1332198"	393.181429	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"922162"	403.210186	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1298872"	439.186864	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1369382"	255.211924	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1382749"	273.2219	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"284381"	581.456476	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"675951"	871.681076	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1354247"	291.231876	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"131509"	291.231876	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"568151"	436.344176	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1043148"	146.119576	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"212145"	194.490342666667	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"652799"	291.231876	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1174203"	97.7488093333333	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"434196"	598.483023	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"788629"	888.707623	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1690431"	308.258423	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"333605"	299.7451495	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"724564"	444.8574495	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1478748"	154.6328495	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"393789"	603.438418	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"759159"	893.663018	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1602892"	313.213818	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"314578"	302.222847	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"707525"	447.335147	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1462563"	157.110547	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1065903"	105.076123333333	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1269039"	323.258086	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"391260"	619.412358	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"752255"	909.636958	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1548839"	329.187758	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"312577"	310.209817	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"705365"	455.322117	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1459912"	165.097517	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"247421"	622.483026	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1223412"	332.258426	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1207295"	166.632851	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"201626"	625.42036	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"640820"	915.64496	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1145419"	335.19576	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"186401"	313.213818	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"623896"	458.326118	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1121935"	168.101518	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1413854"	112.403437333333	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1441955"	337.237346	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"232742"	318.24684	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1520805"	351.28939	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"419397"	321.200788	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"778205"	466.313088	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1674533"	176.088488	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"257042"	644.464968	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1227929"	354.240368	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1719368"	354.263893	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1188003"	119.730751333333	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1655707"	359.219288	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"165850"	657.36824	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"601764"	947.59284	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1089930"	367.14364	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"147840"	329.187758	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"588494"	474.300058	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1080662"	184.075458	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1106219"	369.158192	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1337256"	369.245807	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1013321"	373.284976	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1533632"	374.278608	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"995710"	187.146126	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1593493"	375.193228	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1416966"	405.224738	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1153814"	207.659401	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1702273"	422.251285	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1640111"	427.20668	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1574670"	443.18062	"C05293"	"5beta-Dihydrotestosterone"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"808317"	304.2038	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M"	0
"981849"	285.18541	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"64620"	201.795257333333	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"516950"	303.196524	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"893659"	100.393990666667	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"15077"	303.196524	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"455448"	455.298424	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"832278"	151.094624	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"87763"	607.400324	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"528416"	911.604124	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"904029"	303.196524	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"52937"	624.426871	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"492499"	928.630671	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"869208"	320.223071	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"31649"	629.382266	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"475576"	933.586066	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"849367"	325.178466	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1620359"	325.178466	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"102721"	321.184863	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"541188"	473.286763	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"935798"	169.082963	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"275450"	643.377002	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"664591"	947.580802	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1279182"	339.173202	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"20643"	645.356206	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"462387"	949.560006	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"840194"	341.152406	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1564779"	341.152406	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"945004"	349.201994	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"368691"	653.405801	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"358045"	667.421451	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1505785"	363.217651	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"964576"	371.183951	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"110444"	339.173202	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"552670"	491.275102	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1026219"	187.071302	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1250173"	383.122685	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1311526"	385.178672	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1332308"	407.160629	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"922272"	417.189386	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1297889"	453.166064	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1374960"	269.191124	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1390270"	287.2011	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"284491"	609.414876	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"681287"	913.618676	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1354357"	305.211076	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"131619"	305.211076	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"568262"	457.312976	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1043258"	153.109176	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"211163"	203.809809333333	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"652909"	305.211076	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1175406"	102.408542666667	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"433213"	626.441423	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"790927"	930.645223	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1691632"	322.237623	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"333351"	313.7243495	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"725038"	465.8262495	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1479587"	161.6224495	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"397179"	631.396818	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"759269"	935.600618	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1602869"	327.193018	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"320684"	316.202047	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"707150"	468.303947	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1461702"	164.100147	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1066013"	109.735856666667	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1268056"	337.237286	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"391370"	647.370758	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"752365"	951.574558	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1547856"	343.166958	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"311594"	324.189017	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"705839"	476.290917	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1458564"	172.087117	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"249720"	650.441426	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1223523"	346.237626	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1208378"	173.622451	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"202829"	653.37876	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"639838"	957.58256	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1145779"	349.17496	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"186633"	327.193018	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"627285"	479.294918	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1129698"	175.091118	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1409944"	117.063170666667	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1434411"	351.216546	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"230667"	332.22604	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1520549"	365.26859	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"419505"	335.179988	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"775760"	487.281888	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1672090"	183.078088	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"257516"	672.423368	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1229131"	368.219568	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1714004"	368.243093	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1181550"	124.390484666667	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1650389"	373.198488	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"164501"	685.32664	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"599687"	989.53044	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1085661"	381.12284	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"143574"	343.166958	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"582163"	495.268858	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1076397"	191.065058	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1111795"	383.137392	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1337245"	383.225007	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1010150"	387.264176	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1533742"	388.257808	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"995820"	194.135726	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1596883"	389.172428	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1419263"	419.203938	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1155017"	214.649001	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1702383"	436.230485	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1638034"	441.18588	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1574780"	457.15982	"C05294"	"19-Hydroxytestosterone;17beta19-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"808427"	302.1882	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M"	0
"981959"	283.16981	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"68013"	200.451524	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"517060"	301.180924	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"894133"	99.722124	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"15350"	301.180924	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"454950"	452.275024	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"832146"	150.086824	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"90060"	603.369124	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"528526"	905.557324	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"906326"	301.180924	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"55234"	620.395671	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"496984"	922.583871	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"869318"	318.207471	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"32236"	625.351066	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"475684"	927.539266	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"854581"	323.162866	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1619376"	323.162866	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"100644"	319.169263	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"539111"	470.263363	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"934815"	168.075163	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"275561"	639.345802	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"666889"	941.534002	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1282573"	337.157602	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"26220"	641.325006	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"460312"	943.513206	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"841397"	339.136806	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1564889"	339.136806	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"948395"	347.186394	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"368801"	649.374601	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"349764"	663.390251	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1494953"	361.202051	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"962492"	369.168351	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"114681"	337.157602	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"558610"	488.251702	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1029610"	186.063502	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1250283"	381.107085	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1313824"	383.163072	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1332418"	405.145029	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"922382"	415.173786	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1296906"	451.150464	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1376164"	267.175524	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1390380"	285.1855	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"291161"	605.383676	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"678117"	907.571876	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1361027"	303.195476	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"137196"	303.195476	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"574570"	454.289576	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1048836"	152.101376	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"216374"	202.466076	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"656298"	303.195476	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1175516"	101.736676	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"433323"	622.410223	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"797599"	924.598423	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1692838"	320.222023	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"335648"	311.7087495	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"726246"	462.8028495	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1484076"	160.6146495	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"401664"	627.365618	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"762661"	929.553818	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1604320"	325.177418	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"315449"	314.186447	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"714312"	465.280547	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1465947"	163.092347	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1064301"	109.06399	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1270719"	335.221686	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"391116"	643.339558	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"752476"	945.527758	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1553072"	341.151358	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"311340"	322.173417	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"704494"	473.267517	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1458312"	171.079317	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"250076"	646.410226	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1224853"	344.222026	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1207520"	172.614651	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"202822"	649.34756	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"642869"	951.53576	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1145887"	347.15936	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"188207"	325.177418	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"627279"	476.271518	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1131029"	174.083318	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1410054"	116.391304	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1439988"	349.200946	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"232843"	330.21044	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1522726"	363.25299	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"422777"	333.164388	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"781704"	484.258488	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1678034"	182.070288	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"263459"	668.392168	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1237627"	366.203968	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1715940"	366.227493	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1184576"	123.718618	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1652282"	371.182888	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"157192"	681.29544	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"599796"	983.48364	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1088325"	379.10724	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"149151"	341.151358	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"589806"	492.245458	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1077601"	190.057258	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1112999"	381.121792	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1340635"	381.209407	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1013540"	385.248576	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1537862"	386.242208	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"993740"	193.127926	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1596993"	387.156828	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1421558"	417.188338	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1156219"	213.641201	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1704678"	434.214885	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1636321"	439.17028	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1574890"	455.14422	"C05295"	"19-Oxotestosterone"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"808537"	302.1882	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M"	0
"982069"	283.16981	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"65935"	200.451524	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"516442"	301.180924	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"895534"	99.722124	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"15459"	301.180924	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"455461"	452.275024	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"831151"	150.086824	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"92114"	603.369124	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"528636"	905.557324	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"909841"	301.180924	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"59718"	620.395671	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"498187"	922.583871	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"869428"	318.207471	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"32345"	625.351066	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"475794"	927.539266	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"849585"	323.162866	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1619971"	323.162866	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"96014"	319.169263	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"539221"	470.263363	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"933831"	168.075163	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"272388"	639.345802	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"664810"	941.534002	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1281588"	337.157602	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"24143"	641.325006	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"460420"	943.513206	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"837855"	339.136806	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1564999"	339.136806	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"944132"	347.186394	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"368911"	649.374601	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"347323"	663.390251	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1493970"	361.202051	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"960416"	369.168351	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"113694"	337.157602	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"550944"	488.251702	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1029720"	186.063502	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1251487"	381.107085	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1313934"	383.163072	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1329249"	405.145029	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"921399"	415.173786	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1297016"	451.150464	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1375181"	267.175524	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1392677"	285.1855	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"287991"	605.383676	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"675955"	907.571876	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1360044"	303.195476	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"140223"	303.195476	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"575773"	454.289576	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1046763"	152.101376	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"217942"	202.466076	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"656408"	303.195476	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1171253"	101.736676	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"437444"	622.410223	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"795523"	924.598423	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1694041"	320.222023	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"333568"	311.7087495	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"733646"	462.8028495	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1487466"	160.6146495	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"403959"	627.365618	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"760581"	929.553818	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1607587"	325.177418	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"318718"	314.186447	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"714420"	465.280547	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1462775"	163.092347	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1065871"	109.06399	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1270829"	335.221686	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"389403"	643.339558	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"753678"	945.527758	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1554274"	341.151358	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"308533"	322.173417	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"704605"	473.267517	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1458424"	171.079317	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"250184"	646.410226	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1224843"	344.222026	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1207994"	172.614651	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"203538"	649.34756	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"643586"	951.53576	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1146646"	347.15936	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"187833"	325.177418	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"627753"	476.271518	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1130819"	174.083318	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1411987"	116.391304	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1439005"	349.200946	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"230887"	330.21044	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1521134"	363.25299	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"419728"	333.164388	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"779627"	484.258488	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1679116"	182.070288	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"264299"	668.392168	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1236278"	366.203968	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1716050"	366.227493	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1178852"	123.718618	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1652391"	371.182888	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"157669"	681.29544	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"598078"	983.48364	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1090258"	379.10724	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"148168"	341.151358	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"589916"	492.245458	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1080627"	190.057258	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1110922"	381.121792	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1346212"	381.209407	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1016930"	385.248576	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1538094"	386.242208	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"992757"	193.127926	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1597103"	387.156828	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1420574"	417.188338	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1153049"	213.641201	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1704787"	434.214885	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1636431"	439.17028	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1575000"	455.14422	"C05296"	"7alpha-Hydroxyandrost-4-ene-317-dione;7alpha-Hydroxyandrostenedione"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"810834"	300.1725	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M"	0
"978899"	281.15411	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"63860"	199.107724	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"517523"	299.165224	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"893868"	99.050224	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"15695"	299.165224	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"453459"	449.251474	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"830288"	149.078974	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"92345"	599.337724	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"525466"	899.510224	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"910073"	299.165224	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"56547"	616.364271	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"495017"	916.536771	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"868445"	316.191771	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"33306"	621.319666	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"474932"	921.492166	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"849939"	321.147166	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1619349"	321.147166	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"96489"	317.153563	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"538238"	467.239813	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"935034"	167.067313	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"271404"	635.314402	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"664920"	935.486902	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1279511"	335.141902	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"26440"	637.293606	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"463812"	937.466106	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"836508"	337.121106	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1565109"	337.121106	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"945336"	345.170694	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"367928"	645.343201	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"347435"	659.358851	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1493592"	359.186351	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"960890"	367.152651	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"112715"	335.141902	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"551176"	485.228152	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1028737"	185.055652	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1251597"	379.091385	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1312951"	381.147372	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1332639"	403.129329	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"921509"	413.158086	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1297126"	449.134764	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1378571"	265.159824	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1391694"	283.1698	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"292475"	601.352276	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"677606"	901.524776	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1357967"	301.179776	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"136325"	301.179776	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"571510"	451.266026	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1043591"	151.093526	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"212584"	201.122276	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"656884"	301.179776	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1172459"	101.064776	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"433543"	618.378823	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"796725"	918.551323	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1686493"	318.206323	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"334044"	309.6930495	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"728288"	459.7792995	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1482109"	159.6067995	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"395321"	623.334218	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"761786"	923.506718	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1609884"	323.161718	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"319923"	312.170747	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"713437"	462.256997	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1462885"	162.084497	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1066708"	108.39209	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1269480"	333.205986	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"392557"	639.308158	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"752696"	939.480658	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1554875"	339.135658	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"312654"	320.157717	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"706536"	470.243967	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1458168"	170.071467	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"248593"	642.378826	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1225402"	342.206326	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1209441"	171.606801	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"203812"	645.31616	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"643615"	945.48866	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1146477"	345.14366	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"187945"	323.161718	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"627620"	473.247968	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1130643"	173.075468	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1413314"	115.719404	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1439114"	347.185246	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"227716"	328.19474	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1515779"	361.23729	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"417652"	331.148688	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"776459"	481.234938	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1674974"	181.062438	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"262588"	664.360768	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1235296"	364.188268	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1719443"	364.211793	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1185526"	123.046718	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1660522"	369.167188	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"158265"	677.26404	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"598067"	977.43654	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1088181"	377.09154	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"149371"	339.135658	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"590026"	489.221908	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1082074"	189.049408	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1109939"	379.106092	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1337574"	379.193707	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1013757"	383.232876	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1529696"	384.226508	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"998333"	192.120076	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1591742"	385.141128	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1420684"	415.172638	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1148785"	212.633351	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1701617"	432.199185	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1637270"	437.15458	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1575110"	453.12852	"C05297"	"19-Oxoandrost-4-ene-317-dione;19-Oxoandrostenedione"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"812037"	286.1569	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M"	0
"979009"	267.13851	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H2O-H"	-19.01839
"66156"	189.763990666667	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-3H"	-3.021828
"517390"	285.149624	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-3H"	-3.021828
"894950"	94.3783573333333	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-3H"	-3.021828
"15479"	285.149624	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H"	-2.014552
"452962"	428.228074	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H"	-2.014552
"828211"	142.071174	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H"	-2.014552
"90389"	571.306524	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-H"	-1.007276
"525576"	857.463424	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-H"	-1.007276
"910304"	285.149624	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H"	-1.007276
"56657"	588.333071	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H+NH4"	16.019271
"497314"	874.489971	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H+NH4"	16.019271
"872928"	302.176171	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H+NH4"	16.019271
"34389"	593.288466	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H+Na"	20.974666
"473949"	879.445366	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H+Na"	20.974666
"849807"	307.131566	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H+Na"	20.974666
"1620798"	307.131566	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na-2H"	20.974666
"95869"	303.137963	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-H+Cl"	33.962126
"535917"	446.216413	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-H+Cl"	33.962126
"927610"	160.059513	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+Cl"	33.962126
"268596"	607.283202	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Cl"	34.969402
"661748"	893.440102	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+Cl"	34.969402
"1274152"	321.126302	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl"	34.969402
"23270"	609.262406	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H+K"	36.948606
"458086"	895.419306	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H+K"	36.948606
"836251"	323.105506	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H+K"	36.948606
"1559751"	323.105506	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K-2H"	36.948606
"946536"	331.155094	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+HCOOH"	44.998194
"364758"	617.312001	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+HCOOH-H"	44.998201
"347179"	631.327651	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Hac-H"	59.013851
"1495283"	345.170751	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Hac-H"	59.013851
"958935"	353.137051	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+NaCOOH"	66.980151
"111123"	321.126302	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2Cl"	69.938804
"550800"	464.204752	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2Cl"	69.938804
"1026660"	178.047852	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2Cl"	69.938804
"1252800"	365.075785	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Br"	78.918885
"1310874"	367.131772	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl+HCOOH"	80.974872
"1333841"	389.113729	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl+NaCOOH"	102.956829
"921619"	399.142486	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+CF3COOH"	112.985586
"1296142"	435.119164	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl+CF3COOH"	148.962264
"1378679"	251.144224	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H-2H2O"	-35.012676
"1389617"	269.1542	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H-H2O"	-17.0027
"289305"	573.321076	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H"	1.007276
"683914"	859.477976	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H"	1.007276
"1362450"	287.164176	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H"	1.007276
"135343"	287.164176	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2H"	2.014552
"575994"	430.242626	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2H"	2.014552
"1044794"	144.085726	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2H"	2.014552
"214881"	191.778542666667	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+3H"	3.021828
"654441"	287.164176	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+3H"	3.021828
"1174754"	96.3929093333333	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+3H"	3.021828
"436933"	590.347623	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+NH4"	18.033823
"796835"	876.504523	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+NH4"	18.033823
"1688791"	304.190723	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+NH4"	18.033823
"337071"	295.6774495	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H+NH4"	19.041099
"728398"	438.7558995	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H+NH4"	19.041099
"1482219"	152.5989995	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+NH4"	19.041099
"395431"	595.303018	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Na"	22.989218
"764082"	881.459918	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+Na"	22.989218
"1611088"	309.146118	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na"	22.989218
"322221"	298.155147	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H+Na"	23.996494
"714641"	441.233597	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H+Na"	23.996494
"1465182"	155.076697	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+Na"	23.996494
"1060617"	103.720223333333	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2H+Na"	25.00377
"1262299"	319.190386	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+CH3OH+H"	33.033486
"392298"	611.276958	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+K"	38.963158
"750254"	897.433858	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+K"	38.963158
"1554130"	325.120058	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K"	38.963158
"313009"	306.142117	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H+K"	39.970434
"706403"	449.220567	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H+K"	39.970434
"1461220"	163.063667	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+K"	39.970434
"251344"	614.347626	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+ACN+H"	42.033826
"1225498"	328.190726	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+ACN+H"	42.033826
"1209829"	164.599001	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+ACN+2H"	43.041102
"203974"	617.28496	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2Na-H"	44.97116
"643857"	903.44186	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2Na-H"	44.97116
"1146590"	331.12806	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2Na-H"	44.97116
"188058"	309.146118	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2Na"	45.978436
"627618"	452.224568	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2Na"	45.978436
"1130874"	166.067668	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2Na"	45.978436
"1413911"	111.047537333333	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+2Na"	46.985712
"1438132"	333.169646	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+HCOOH"	47.012746
"228920"	314.17914	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+3H2O+2H"	56.04448
"1520263"	347.22169	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+IsoProp+H"	61.06479
"423110"	317.133088	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Na+K"	61.952376
"780942"	460.211538	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+Na+K"	61.952376
"1676177"	174.054638	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na+K"	61.952376
"263791"	636.329568	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+ACN+Na"	64.015768
"1236499"	350.172668	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+ACN+Na"	64.015768
"1721012"	350.196193	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+NH4+HCOOH"	64.039293
"1186365"	118.374851333333	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+3Na"	68.967654
"1657351"	355.151588	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na+HCOOH"	68.994688
"158376"	649.23284	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2K-H"	76.91904
"598908"	935.38974	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2K-H"	76.91904
"1091571"	363.07594	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2K-H"	76.91904
"154222"	325.120058	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2K"	77.926316
"589773"	468.198508	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2K"	77.926316
"1079025"	182.041608	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2K"	77.926316
"1106769"	365.090492	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2K+H"	78.933592
"1336461"	365.178107	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+DMSO+H"	79.021207
"1006696"	369.217276	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2ACN+H"	83.060376
"1529806"	370.210908	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+IsoProp+Na+H"	84.054008
"998443"	185.112276	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2ACN+2H"	84.067652
"1595132"	371.125528	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K+HCOOH"	84.968628
"1420794"	401.157038	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+CF3COOH"	115.000138
"1148164"	205.625551	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+3ACN+2H"	125.094202
"1700634"	418.183585	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+NH4+CF3COOH"	132.026685
"1638473"	423.13898	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na+CF3COOH"	136.98208
"1575220"	439.11292	"C05298"	"2-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K+CF3COOH"	152.95602
"813971"	300.1725	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M"	0
"979119"	281.15411	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"64201"	199.107724	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"517867"	299.165224	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"894574"	99.050224	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"15338"	299.165224	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"453800"	449.251474	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"828321"	149.078974	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"93294"	599.337724	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"526780"	899.510224	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"910780"	299.165224	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"57496"	616.364271	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"497424"	916.536771	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"869758"	316.191771	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"34378"	621.319666	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"478312"	921.492166	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"849675"	321.147166	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1619208"	321.147166	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"94562"	317.153563	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"539552"	467.239813	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"929786"	167.067313	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"268707"	635.314402	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"664045"	935.486902	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1273897"	335.141902	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"21193"	637.293606	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"457103"	937.466106	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"836360"	337.121106	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1559861"	337.121106	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"944460"	345.170694	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"364868"	645.343201	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"347654"	659.358851	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1495393"	359.186351	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"958682"	367.152651	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"111841"	335.141902	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"550099"	485.228152	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1026770"	185.055652	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1252910"	379.091385	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1310983"	381.147372	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1332857"	403.129329	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"920636"	413.158086	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1294062"	449.134764	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1380977"	265.159824	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1391910"	283.1698	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"292695"	601.352276	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"685117"	901.524776	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1363653"	301.179776	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"136544"	301.179776	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"577199"	451.266026	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1048915"	151.093526	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"218636"	201.122276	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"658198"	301.179776	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1174864"	101.064776	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"433763"	618.378823	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"798038"	918.551323	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1687808"	318.206323	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"337181"	309.6930495	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"728508"	459.7792995	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1485609"	159.6067995	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"395541"	623.334218	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"764924"	923.506718	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1610106"	323.161718	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"324517"	312.170747	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"716938"	462.256997	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1468572"	162.084497	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1060726"	108.39209	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1263501"	333.205986	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"389369"	639.308158	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"749634"	939.480658	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1552781"	339.135658	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"311050"	320.157717	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"705296"	470.243967	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1460780"	170.071467	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"251007"	642.378826	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1225211"	342.206326	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1209578"	171.606801	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"203745"	645.31616	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"644225"	945.48866	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1146960"	345.14366	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"188398"	323.161718	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"627846"	473.247968	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1130902"	173.075468	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1412682"	115.719404	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1442615"	347.185246	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"229030"	328.19474	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1521102"	361.23729	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"423341"	331.148688	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"781052"	481.234938	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1675194"	181.062438	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"262444"	664.360768	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1235516"	364.188268	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1721122"	364.211793	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1186475"	123.046718	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1656368"	369.167188	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"158123"	677.26404	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"598652"	977.43654	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1090588"	377.09154	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"154333"	339.135658	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"592070"	489.221908	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1081322"	189.049408	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1109066"	379.106092	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1336087"	379.193707	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1010697"	383.232876	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1526636"	384.226508	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"998553"	192.120076	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1591962"	385.141128	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1417988"	415.172638	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1148274"	212.633351	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1698921"	432.199185	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1636397"	437.15458	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1571925"	453.12852	"C05299"	"2-Methoxyestrone"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"814445"	286.1569	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M"	0
"985789"	267.13851	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H2O-H"	-19.01839
"68563"	189.763990666667	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-3H"	-3.021828
"515790"	285.149624	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-3H"	-3.021828
"893226"	94.3783573333333	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-3H"	-3.021828
"14355"	285.149624	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H"	-2.014552
"452817"	428.228074	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H"	-2.014552
"831227"	142.071174	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H"	-2.014552
"93775"	571.306524	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-H"	-1.007276
"526890"	857.463424	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-H"	-1.007276
"909799"	285.149624	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H"	-1.007276
"61985"	588.333071	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H+NH4"	16.019271
"497534"	874.489971	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H+NH4"	16.019271
"869868"	302.176171	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H+NH4"	16.019271
"37768"	593.288466	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H+Na"	20.974666
"481702"	879.445366	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H+Na"	20.974666
"853307"	307.131566	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H+Na"	20.974666
"1623569"	307.131566	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na-2H"	20.974666
"97910"	303.137963	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-H+Cl"	33.962126
"538566"	446.216413	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-H+Cl"	33.962126
"932081"	160.059513	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+Cl"	33.962126
"272825"	607.283202	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Cl"	34.969402
"664519"	893.440102	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+Cl"	34.969402
"1275827"	321.126302	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl"	34.969402
"23491"	609.262406	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M-2H+K"	36.948606
"463050"	895.419306	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M-2H+K"	36.948606
"837570"	323.105506	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-2H+K"	36.948606
"1559971"	323.105506	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K-2H"	36.948606
"944570"	331.155094	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+HCOOH"	44.998194
"364978"	617.312001	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+HCOOH-H"	44.998201
"348857"	631.327651	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Hac-H"	59.013851
"1500975"	345.170751	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Hac-H"	59.013851
"959402"	353.137051	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+NaCOOH"	66.980151
"110976"	321.126302	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2Cl"	69.938804
"551146"	464.204752	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2Cl"	69.938804
"1030160"	178.047852	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2Cl"	69.938804
"1251927"	365.075785	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Br"	78.918885
"1310001"	367.131772	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl+HCOOH"	80.974872
"1327499"	389.113729	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl+NaCOOH"	102.956829
"921840"	399.142486	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M-H+CF3COOH"	112.985586
"1298549"	435.119164	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Cl+CF3COOH"	148.962264
"1374525"	251.144224	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H-2H2O"	-35.012676
"1389834"	269.1542	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H-H2O"	-17.0027
"293899"	573.321076	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H"	1.007276
"686320"	859.477976	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H"	1.007276
"1361576"	287.164176	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H"	1.007276
"138842"	287.164176	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2H"	2.014552
"578037"	430.242626	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2H"	2.014552
"1050116"	144.085726	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2H"	2.014552
"216194"	191.778542666667	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+3H"	3.021828
"659359"	287.164176	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+3H"	3.021828
"1176067"	96.3929093333333	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+3H"	3.021828
"438246"	590.347623	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+NH4"	18.033823
"797055"	876.504523	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+NH4"	18.033823
"1695572"	304.190723	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+NH4"	18.033823
"342758"	295.6774495	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H+NH4"	19.041099
"732993"	438.7558995	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H+NH4"	19.041099
"1485720"	152.5989995	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+NH4"	19.041099
"400029"	595.303018	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Na"	22.989218
"759933"	881.459918	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+Na"	22.989218
"1606935"	309.146118	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na"	22.989218
"319162"	298.155147	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H+Na"	23.996494
"714863"	441.233597	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H+Na"	23.996494
"1467588"	155.076697	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+Na"	23.996494
"1059742"	103.720223333333	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2H+Na"	25.00377
"1262517"	319.190386	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+CH3OH+H"	33.033486
"389843"	611.276958	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+K"	38.963158
"747559"	897.433858	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+K"	38.963158
"1549611"	325.120058	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K"	38.963158
"310068"	306.142117	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+H+K"	39.970434
"704312"	449.220567	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+H+K"	39.970434
"1460808"	163.063667	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+K"	39.970434
"250749"	614.347626	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+ACN+H"	42.033826
"1224181"	328.190726	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+ACN+H"	42.033826
"1209042"	164.599001	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+ACN+2H"	43.041102
"204001"	617.28496	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2Na-H"	44.97116
"643786"	903.44186	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2Na-H"	44.97116
"1145832"	331.12806	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2Na-H"	44.97116
"187664"	309.146118	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2Na"	45.978436
"626127"	452.224568	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2Na"	45.978436
"1129271"	166.067668	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2Na"	45.978436
"1412065"	111.047537333333	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+2Na"	46.985712
"1436894"	333.169646	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+HCOOH"	47.012746
"229506"	314.17914	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+3H2O+2H"	56.04448
"1519755"	347.22169	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+IsoProp+H"	61.06479
"420899"	317.133088	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+Na+K"	61.952376
"781891"	460.211538	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+Na+K"	61.952376
"1676398"	174.054638	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na+K"	61.952376
"255625"	636.329568	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+ACN+Na"	64.015768
"1234169"	350.172668	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+ACN+Na"	64.015768
"1717585"	350.196193	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+NH4+HCOOH"	64.039293
"1182210"	118.374851333333	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+3Na"	68.967654
"1655384"	355.151588	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na+HCOOH"	68.994688
"162247"	649.23284	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2K-H"	76.91904
"599615"	935.38974	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2K-H"	76.91904
"1084740"	363.07594	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2K-H"	76.91904
"142285"	325.120058	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"2M+2K"	77.926316
"586709"	468.198508	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"3M+2K"	77.926316
"1080338"	182.041608	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2K"	77.926316
"1112456"	365.090492	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2K+H"	78.933592
"1343370"	365.178107	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+DMSO+H"	79.021207
"1014088"	369.217276	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2ACN+H"	83.060376
"1528934"	370.210908	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+IsoProp+Na+H"	84.054008
"998663"	185.112276	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+2ACN+2H"	84.067652
"1592072"	371.125528	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K+HCOOH"	84.968628
"1417369"	401.157038	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+H+CF3COOH"	115.000138
"1148019"	205.625551	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+3ACN+2H"	125.094202
"1697447"	418.183585	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+NH4+CF3COOH"	132.026685
"1635414"	423.13898	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+Na+CF3COOH"	136.98208
"1572159"	439.11292	"C05300"	"16alpha-Hydroxyestrone"	"C18H22O3"	"286.1569"	"M+K+CF3COOH"	152.95602
"812368"	288.1725	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M"	0
"979340"	269.15411	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H2O-H"	-19.01839
"71956"	191.107724	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-3H"	-3.021828
"515535"	287.165224	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-3H"	-3.021828
"891514"	95.050224	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-3H"	-3.021828
"13736"	287.165224	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H"	-2.014552
"450740"	431.251474	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H"	-2.014552
"831824"	143.078974	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H"	-2.014552
"92179"	575.337724	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-H"	-1.007276
"532833"	863.510224	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-H"	-1.007276
"909299"	287.165224	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H"	-1.007276
"60880"	592.364271	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H+NH4"	16.019271
"498737"	880.536771	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H+NH4"	16.019271
"869978"	304.191771	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H+NH4"	16.019271
"37878"	597.319666	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H+Na"	20.974666
"481812"	885.492166	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H+Na"	20.974666
"853053"	309.147166	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H+Na"	20.974666
"1623679"	309.147166	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na-2H"	20.974666
"99478"	305.153563	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-H+Cl"	33.962126
"539770"	449.239813	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-H+Cl"	33.962126
"931098"	161.067313	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+Cl"	33.962126
"270750"	611.314402	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Cl"	34.969402
"663175"	899.486902	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+Cl"	34.969402
"1274845"	323.141902	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl"	34.969402
"20321"	613.293606	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H+K"	36.948606
"460974"	901.466106	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H+K"	36.948606
"836587"	325.121106	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H+K"	36.948606
"1558988"	325.121106	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K-2H"	36.948606
"942979"	333.170694	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+HCOOH"	44.998194
"365088"	621.343201	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+HCOOH-H"	44.998201
"346781"	635.358851	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Hac-H"	59.013851
"1501086"	347.186351	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Hac-H"	59.013851
"958946"	355.152651	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+NaCOOH"	66.980151
"111093"	323.141902	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2Cl"	69.938804
"550121"	467.228152	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2Cl"	69.938804
"1029177"	179.055652	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2Cl"	69.938804
"1250944"	367.091385	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Br"	78.918885
"1312297"	369.147372	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl+HCOOH"	80.974872
"1333080"	391.129329	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl+NaCOOH"	102.956829
"923411"	401.158086	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+CF3COOH"	112.985586
"1298659"	437.134764	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl+CF3COOH"	148.962264
"1370261"	253.159824	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H-2H2O"	-35.012676
"1389945"	271.1698	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H-H2O"	-17.0027
"296561"	577.352276	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H"	1.007276
"689350"	865.524776	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H"	1.007276
"1365336"	289.179776	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H"	1.007276
"140409"	289.179776	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2H"	2.014552
"579240"	433.266026	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2H"	2.014552
"1049863"	145.093526	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2H"	2.014552
"217399"	193.122276	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+3H"	3.021828
"655865"	289.179776	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+3H"	3.021828
"1172897"	97.064776	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+3H"	3.021828
"432890"	594.378823	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+NH4"	18.033823
"796072"	882.551323	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+NH4"	18.033823
"1695319"	306.206323	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+NH4"	18.033823
"341775"	297.6930495	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H+NH4"	19.041099
"734198"	441.7792995	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H+NH4"	19.041099
"1489841"	153.6067995	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+NH4"	19.041099
"399047"	599.334218	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Na"	22.989218
"763323"	887.506718	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+Na"	22.989218
"1607047"	311.161718	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na"	22.989218
"325471"	300.170747	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H+Na"	23.996494
"716795"	444.256997	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H+Na"	23.996494
"1468792"	156.084497	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+Na"	23.996494
"1060948"	104.39209	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2H+Na"	25.00377
"1264815"	321.205986	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+CH3OH+H"	33.033486
"388858"	615.308158	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+K"	38.963158
"750950"	903.480658	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+K"	38.963158
"1551543"	327.135658	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K"	38.963158
"312001"	308.157717	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H+K"	39.970434
"706007"	452.243967	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H+K"	39.970434
"1459706"	164.071467	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+K"	39.970434
"251310"	618.378826	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+ACN+H"	42.033826
"1225394"	330.206326	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+ACN+H"	42.033826
"1209281"	165.606801	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+ACN+2H"	43.041102
"203691"	621.31616	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2Na-H"	44.97116
"643411"	909.48866	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2Na-H"	44.97116
"1146190"	333.14366	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2Na-H"	44.97116
"187409"	311.161718	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2Na"	45.978436
"627213"	455.247968	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2Na"	45.978436
"1129750"	167.075468	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2Na"	45.978436
"1412539"	111.719404	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+2Na"	46.985712
"1438828"	335.185246	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+HCOOH"	47.012746
"227429"	316.19474	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+3H2O+2H"	56.04448
"1518407"	349.23729	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+IsoProp+H"	61.06479
"419551"	319.148688	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Na+K"	61.952376
"782368"	463.234938	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+Na+K"	61.952376
"1675413"	175.062438	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na+K"	61.952376
"260113"	640.360768	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+ACN+Na"	64.015768
"1232455"	352.188268	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+ACN+Na"	64.015768
"1717330"	352.211793	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+NH4+HCOOH"	64.039293
"1184506"	119.046718	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+3Na"	68.967654
"1653307"	357.167188	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na+HCOOH"	68.994688
"162718"	653.26404	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2K-H"	76.91904
"600090"	941.43654	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2K-H"	76.91904
"1087523"	365.09154	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2K-H"	76.91904
"146527"	327.135658	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2K"	77.926316
"588278"	471.221908	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2K"	77.926316
"1081177"	183.049408	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2K"	77.926316
"1109288"	367.106092	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2K+H"	78.933592
"1343482"	367.193707	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+DMSO+H"	79.021207
"1018090"	371.232876	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2ACN+H"	83.060376
"1538526"	372.226508	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+IsoProp+Na+H"	84.054008
"1003998"	186.120076	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2ACN+2H"	84.067652
"1597649"	373.141128	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K+HCOOH"	84.968628
"1421125"	403.172638	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+CF3COOH"	115.000138
"1149224"	206.633351	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+3ACN+2H"	125.094202
"1698777"	420.199185	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+NH4+CF3COOH"	132.026685
"1638077"	425.15458	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na+CF3COOH"	136.98208
"1571539"	441.12852	"C05301"	"2-Hydroxyestradiol;2-Hydroxyestradiol-17beta;2-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K+CF3COOH"	152.95602
"817044"	302.1882	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M"	0
"989295"	283.16981	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"74256"	200.451524	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"514916"	301.180924	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"892717"	99.722124	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"11292"	301.180924	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"455108"	452.275024	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"832513"	150.086824	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"93756"	603.369124	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"533203"	905.557324	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"910395"	301.180924	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"62205"	620.395671	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"502011"	922.583871	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"877743"	318.207471	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"40177"	625.351066	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"484110"	927.539266	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"857538"	323.162866	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1623789"	323.162866	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"102502"	319.169263	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"536235"	470.263363	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"931207"	168.075163	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"270496"	639.345802	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"660975"	941.534002	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1274961"	337.157602	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"23713"	641.325006	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"464366"	943.513206	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"839982"	339.136806	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1560193"	339.136806	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"951357"	347.186394	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"368480"	649.374601	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"351269"	663.390251	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1499009"	361.202051	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"966550"	369.168351	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"117646"	337.157602	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"565073"	488.251702	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1035486"	186.063502	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1256529"	381.107085	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1316784"	383.163072	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1332824"	405.145029	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"920966"	415.173786	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1297675"	451.150464	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1373652"	267.175524	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1394431"	285.1855	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"295579"	605.383676	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"688362"	907.571876	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1365445"	303.195476	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"138698"	303.195476	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"576069"	454.289576	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1041953"	152.101376	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"215320"	202.466076	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"655974"	303.195476	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1170820"	101.736676	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"436279"	622.410223	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"797275"	924.598423	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1694699"	320.222023	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"343714"	311.7087495	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"732124"	462.8028495	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1487037"	160.6146495	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"401343"	627.365618	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"763435"	929.553818	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1611532"	325.177418	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"320477"	314.186447	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"715084"	465.280547	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1472184"	163.092347	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1057781"	109.06399	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1264928"	335.221686	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"383504"	643.339558	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"743406"	945.527758	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1550926"	341.151358	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"310655"	322.173417	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"706522"	473.267517	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1461035"	171.079317	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"251093"	646.410226	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1224902"	344.222026	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1209510"	172.614651	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"203719"	649.34756	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"642552"	951.53576	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1145689"	347.15936	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"187521"	325.177418	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"627081"	476.271518	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1130222"	174.083318	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1411553"	116.391304	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1443312"	349.200946	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"234101"	330.21044	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1523256"	363.25299	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"422578"	333.164388	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"783210"	484.258488	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1676256"	182.070288	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"263141"	668.392168	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1239494"	366.203968	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1727412"	366.227493	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1189361"	123.718618	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1660346"	371.182888	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"164655"	681.29544	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"606037"	983.48364	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1093102"	379.10724	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"155758"	341.151358	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"594223"	492.245458	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1078007"	190.057258	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1103930"	381.121792	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1346874"	381.209407	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1014311"	385.248576	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1535719"	386.242208	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"996695"	193.127926	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1594479"	387.156828	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1419047"	417.188338	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1152615"	213.641201	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1697789"	434.214885	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1635634"	439.17028	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1571359"	455.14422	"C05302"	"2-Methoxy-17beta-estradiol;2-Methoxyestradiol-17beta"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"809308"	892.5353	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M"	0
"979560"	873.51691	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-H2O-H"	-19.01839
"76925"	594.016257333333	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M-3H"	-3.021828
"512834"	891.528024	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M-3H"	-3.021828
"888451"	296.504490666667	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-3H"	-3.021828
"7025"	891.528024	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M-2H"	-2.014552
"448774"	1337.795674	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M-2H"	-2.014552
"828762"	445.260374	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-2H"	-2.014552
"90942"	1784.063324	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M-H"	-1.007276
"532688"	2676.598624	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M-H"	-1.007276
"909396"	891.528024	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-H"	-1.007276
"58304"	1801.089871	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M-2H+NH4"	16.019271
"494583"	2693.625171	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M-2H+NH4"	16.019271
"870200"	908.554571	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-2H+NH4"	16.019271
"35913"	1806.045266	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M-2H+Na"	20.974666
"477659"	2698.580566	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M-2H+Na"	20.974666
"851450"	913.509966	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-2H+Na"	20.974666
"1624262"	913.509966	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Na-2H"	20.974666
"96419"	909.516363	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M-H+Cl"	33.962126
"536343"	1355.784013	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M-H+Cl"	33.962126
"930223"	463.248713	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-H+Cl"	33.962126
"272061"	1820.040002	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+Cl"	34.969402
"663024"	2712.575302	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+Cl"	34.969402
"1275067"	927.504702	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Cl"	34.969402
"17379"	1822.019206	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M-2H+K"	36.948606
"457915"	2714.554506	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M-2H+K"	36.948606
"836816"	929.483906	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-2H+K"	36.948606
"1557387"	929.483906	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+K-2H"	36.948606
"953655"	937.533494	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-H+HCOOH"	44.998194
"371871"	1830.068801	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+HCOOH-H"	44.998201
"350286"	1844.084451	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+Hac-H"	59.013851
"1498025"	951.549151	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Hac-H"	59.013851
"964474"	959.515451	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-H+NaCOOH"	66.980151
"116662"	927.504702	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+2Cl"	69.938804
"560600"	1373.772352	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+2Cl"	69.938804
"1034868"	481.237052	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2Cl"	69.938804
"1254084"	971.454185	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Br"	78.918885
"1318719"	973.510172	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Cl+HCOOH"	80.974872
"1326739"	995.492129	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Cl+NaCOOH"	102.956829
"924359"	1005.520886	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M-H+CF3COOH"	112.985586
"1292683"	1041.497564	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Cl+CF3COOH"	148.962264
"1370844"	857.522624	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H-2H2O"	-35.012676
"1394177"	875.5326	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H-H2O"	-17.0027
"294228"	1786.077876	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+H"	1.007276
"685924"	2678.613176	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+H"	1.007276
"1360813"	893.542576	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H"	1.007276
"134434"	893.542576	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+2H"	2.014552
"573263"	1339.810226	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+2H"	2.014552
"1048989"	447.274926	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2H"	2.014552
"217984"	596.030809333333	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+3H"	3.021828
"656815"	893.542576	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+3H"	3.021828
"1172024"	298.519042666667	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+3H"	3.021828
"430923"	1803.104423	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+NH4"	18.033823
"793011"	2695.639723	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+NH4"	18.033823
"1694814"	910.569123	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+NH4"	18.033823
"342364"	902.0558495	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+H+NH4"	19.041099
"726767"	1348.3234995	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+H+NH4"	19.041099
"1486054"	455.7881995	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H+NH4"	19.041099
"401455"	1808.059818	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+Na"	22.989218
"761360"	2700.595118	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+Na"	22.989218
"1610549"	915.524518	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Na"	22.989218
"320589"	904.533547	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+H+Na"	23.996494
"717382"	1350.801197	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+H+Na"	23.996494
"1465735"	458.265897	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H+Na"	23.996494
"1057893"	305.846356666667	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2H+Na"	25.00377
"1261758"	925.568786	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+CH3OH+H"	33.033486
"382520"	1824.033758	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+K"	38.963158
"746796"	2716.569058	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+K"	38.963158
"1548849"	931.498458	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+K"	38.963158
"308212"	912.520517	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+H+K"	39.970434
"701362"	1358.788167	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+H+K"	39.970434
"1460285"	466.252867	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H+K"	39.970434
"251089"	1827.104426	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+ACN+H"	42.033826
"1224636"	934.569126	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+ACN+H"	42.033826
"1209724"	467.788201	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+ACN+2H"	43.041102
"204195"	1830.04176	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+2Na-H"	44.97116
"642291"	2722.57706	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+2Na-H"	44.97116
"1146982"	937.50646	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2Na-H"	44.97116
"186534"	915.524518	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+2Na"	45.978436
"626458"	1361.792168	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+2Na"	45.978436
"1128873"	469.256868	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2Na"	45.978436
"1412035"	313.173670666667	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H+2Na"	46.985712
"1444516"	939.548046	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H+HCOOH"	47.012746
"234940"	920.55754	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+3H2O+2H"	56.04448
"1523004"	953.60009	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+IsoProp+H"	61.06479
"422328"	923.511488	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+Na+K"	61.952376
"784055"	1369.779138	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+Na+K"	61.952376
"1678195"	477.243838	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Na+K"	61.952376
"265071"	1849.086368	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+ACN+Na"	64.015768
"1239241"	956.551068	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+ACN+Na"	64.015768
"1722655"	956.574593	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+NH4+HCOOH"	64.039293
"1185822"	320.500984666667	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+3Na"	68.967654
"1660455"	961.529988	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Na+HCOOH"	68.994688
"162576"	1861.98964	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+2K-H"	76.91904
"603229"	2754.52494	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+2K-H"	76.91904
"1089928"	969.45434	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2K-H"	76.91904
"146747"	931.498458	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"2M+2K"	77.926316
"590686"	1377.766108	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"3M+2K"	77.926316
"1079577"	485.230808	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2K"	77.926316
"1112420"	971.468892	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2K+H"	78.933592
"1346981"	971.556507	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+DMSO+H"	79.021207
"1011138"	975.595676	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2ACN+H"	83.060376
"1524401"	976.589308	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+IsoProp+Na+H"	84.054008
"993525"	488.301476	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+2ACN+2H"	84.067652
"1591311"	977.503928	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+K+HCOOH"	84.968628
"1419157"	1007.535438	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+H+CF3COOH"	115.000138
"1149445"	508.814751	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+3ACN+2H"	125.094202
"1697295"	1024.561985	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+NH4+CF3COOH"	132.026685
"1634769"	1029.51738	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+Na+CF3COOH"	136.98208
"1571392"	1045.49132	"C05306"	"Chlorophyll a"	"C55H72MgN4O5"	"892.5353"	"M+K+CF3COOH"	152.95602
"811605"	906.5146	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M"	0
"982950"	887.49621	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-H2O-H"	-19.01839
"76669"	603.335790666667	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M-3H"	-3.021828
"514039"	905.507324	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M-3H"	-3.021828
"888563"	301.164257333333	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-3H"	-3.021828
"9323"	905.507324	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M-2H"	-2.014552
"452164"	1358.764624	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M-2H"	-2.014552
"826685"	452.250024	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-2H"	-2.014552
"92147"	1812.021924	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M-H"	-1.007276
"529518"	2718.536524	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M-H"	-1.007276
"909996"	905.507324	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-H"	-1.007276
"58414"	1829.048471	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M-2H+NH4"	16.019271
"493599"	2735.563071	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M-2H+NH4"	16.019271
"870310"	922.533871	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-2H+NH4"	16.019271
"39303"	1834.003866	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M-2H+Na"	20.974666
"481049"	2740.518466	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M-2H+Na"	20.974666
"853382"	927.489266	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-2H+Na"	20.974666
"1624010"	927.489266	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Na-2H"	20.974666
"96896"	923.495663	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M-H+Cl"	33.962126
"537548"	1376.752963	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M-H+Cl"	33.962126
"931062"	470.238363	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-H+Cl"	33.962126
"269622"	1847.998602	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+Cl"	34.969402
"663505"	2754.513202	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+Cl"	34.969402
"1277001"	941.484002	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Cl"	34.969402
"17372"	1849.977806	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M-2H+K"	36.948606
"458025"	2756.492406	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M-2H+K"	36.948606
"843486"	943.463206	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-2H+K"	36.948606
"1560413"	943.463206	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+K-2H"	36.948606
"953765"	951.512794	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-H+HCOOH"	44.998194
"372711"	1858.027401	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+HCOOH-H"	44.998201
"352583"	1872.043051	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+Hac-H"	59.013851
"1502509"	965.528451	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Hac-H"	59.013851
"967864"	973.494751	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-H+NaCOOH"	66.980151
"117865"	941.484002	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+2Cl"	69.938804
"556334"	1394.741302	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+2Cl"	69.938804
"1034614"	488.226702	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2Cl"	69.938804
"1253828"	985.433485	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Br"	78.918885
"1315913"	987.489472	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Cl+HCOOH"	80.974872
"1333046"	1009.471429	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Cl+NaCOOH"	102.956829
"925199"	1019.500186	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M-H+CF3COOH"	112.985586
"1302273"	1055.476864	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Cl+CF3COOH"	148.962264
"1376058"	871.501924	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H-2H2O"	-35.012676
"1395019"	889.5119	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H-H2O"	-17.0027
"294338"	1814.036476	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+H"	1.007276
"687492"	2720.551076	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+H"	1.007276
"1359829"	907.521876	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H"	1.007276
"133813"	907.521876	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+2H"	2.014552
"575195"	1360.779176	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+2H"	2.014552
"1050556"	454.264576	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2H"	2.014552
"214448"	605.350342666667	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+3H"	3.021828
"654737"	907.521876	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+3H"	3.021828
"1168852"	303.178809333333	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+3H"	3.021828
"427748"	1831.063023	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+NH4"	18.033823
"789838"	2737.577623	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+NH4"	18.033823
"1695531"	924.548423	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+NH4"	18.033823
"342475"	916.0351495	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+H+NH4"	19.041099
"735626"	1369.2924495	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+H+NH4"	19.041099
"1491266"	462.7778495	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H+NH4"	19.041099
"404844"	1836.018418	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+Na"	22.989218
"762561"	2742.533018	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+Na"	22.989218
"1609568"	929.503818	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Na"	22.989218
"326164"	918.512847	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+H+Na"	23.996494
"715304"	1371.770147	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+H+Na"	23.996494
"1465845"	465.255547	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H+Na"	23.996494
"1055809"	310.506123333333	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2H+Na"	25.00377
"1261135"	939.548086	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+CH3OH+H"	33.033486
"381535"	1851.992358	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+K"	38.963158
"741437"	2758.506958	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+K"	38.963158
"1544584"	945.477758	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+K"	38.963158
"305039"	926.499817	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+H+K"	39.970434
"699648"	1379.757117	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+H+K"	39.970434
"1458937"	473.242517	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H+K"	39.970434
"247173"	1855.063026	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+ACN+H"	42.033826
"1222433"	948.548426	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+ACN+H"	42.033826
"1206316"	474.777851	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+ACN+2H"	43.041102
"203977"	1858.00036	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+2Na-H"	44.97116
"643494"	2764.51496	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+2Na-H"	44.97116
"1145179"	951.48576	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2Na-H"	44.97116
"186645"	929.503818	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+2Na"	45.978436
"625112"	1382.761118	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+2Na"	45.978436
"1129350"	476.246518	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2Na"	45.978436
"1409953"	317.833437333333	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H+2Na"	46.985712
"1443168"	953.527346	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H+HCOOH"	47.012746
"233957"	934.53684	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+3H2O+2H"	56.04448
"1522020"	967.57939	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+IsoProp+H"	61.06479
"420610"	937.490788	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+Na+K"	61.952376
"783431"	1390.748088	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+Na+K"	61.952376
"1676840"	484.233488	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Na+K"	61.952376
"261170"	1877.044968	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+ACN+Na"	64.015768
"1233879"	970.530368	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+ACN+Na"	64.015768
"1720579"	970.553893	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+NH4+HCOOH"	64.039293
"1183379"	325.160751333333	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+3Na"	68.967654
"1655825"	975.509288	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Na+HCOOH"	68.994688
"160131"	1889.94824	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+2K-H"	76.91904
"600421"	2796.46284	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+2K-H"	76.91904
"1086027"	983.43364	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2K-H"	76.91904
"143577"	945.477758	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"2M+2K"	77.926316
"593712"	1398.735058	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"3M+2K"	77.926316
"1083456"	492.220458	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2K"	77.926316
"1110710"	985.448192	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2K+H"	78.933592
"1350617"	985.535807	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+DMSO+H"	79.021207
"1010521"	989.574976	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2ACN+H"	83.060376
"1528280"	990.568608	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+IsoProp+Na+H"	84.054008
"993635"	495.291126	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+2ACN+2H"	84.067652
"1593608"	991.483228	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+K+HCOOH"	84.968628
"1422547"	1021.514738	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+H+CF3COOH"	115.000138
"1150649"	515.804401	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+3ACN+2H"	125.094202
"1699107"	1038.541285	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+NH4+CF3COOH"	132.026685
"1634515"	1043.49668	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+Na+CF3COOH"	136.98208
"1575880"	1059.47062	"C05307"	"Chlorophyll b"	"C55H70MgN4O6"	"906.5146"	"M+K+CF3COOH"	152.95602
"812808"	314.0684	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M"	0
"979780"	295.05001	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-H2O-H"	-19.01839
"77386"	208.371657333333	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M-3H"	-3.021828
"514150"	313.061124	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M-3H"	-3.021828
"884297"	103.682190666667	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-3H"	-3.021828
"12714"	313.061124	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M-2H"	-2.014552
"452273"	470.095324	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M-2H"	-2.014552
"828980"	156.026924	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-2H"	-2.014552
"90067"	627.129524	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M-H"	-1.007276
"531816"	941.197924	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M-H"	-1.007276
"909131"	313.061124	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-H"	-1.007276
"57431"	644.156071	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M-2H+NH4"	16.019271
"496991"	958.224471	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M-2H+NH4"	16.019271
"873700"	330.087671	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-2H+NH4"	16.019271
"41600"	649.111466	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M-2H+Na"	20.974666
"481160"	963.179866	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M-2H+Na"	20.974666
"852766"	335.043066	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-2H+Na"	20.974666
"1626306"	335.043066	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Na-2H"	20.974666
"97734"	331.049463	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M-H+Cl"	33.962126
"536565"	488.083663	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M-H+Cl"	33.962126
"932995"	174.015263	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-H+Cl"	33.962126
"273379"	663.106202	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+Cl"	34.969402
"660941"	977.174602	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+Cl"	34.969402
"1275651"	349.037802	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Cl"	34.969402
"15938"	665.085406	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M-2H+K"	36.948606
"458137"	979.153806	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M-2H+K"	36.948606
"837034"	351.017006	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-2H+K"	36.948606
"1557607"	351.017006	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+K-2H"	36.948606
"953875"	359.066594	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-H+HCOOH"	44.998194
"368810"	673.135001	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+HCOOH-H"	44.998201
"351600"	687.150651	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+Hac-H"	59.013851
"1500432"	373.082251	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Hac-H"	59.013851
"966879"	381.048551	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-H+NaCOOH"	66.980151
"115788"	349.037802	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+2Cl"	69.938804
"555351"	506.072002	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+2Cl"	69.938804
"1035089"	192.003602	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2Cl"	69.938804
"1254302"	392.987285	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Br"	78.918885
"1318939"	395.043272	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Cl+HCOOH"	80.974872
"1333156"	417.025229	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Cl+NaCOOH"	102.956829
"925673"	427.053986	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M-H+CF3COOH"	112.985586
"1303112"	463.030664	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Cl+CF3COOH"	148.962264
"1381638"	279.055724	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H-2H2O"	-35.012676
"1395861"	297.0657	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H-H2O"	-17.0027
"296277"	629.144076	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+H"	1.007276
"688332"	943.212476	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+H"	1.007276
"1362130"	315.075676	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H"	1.007276
"135382"	315.075676	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+2H"	2.014552
"577859"	472.109876	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+2H"	2.014552
"1049211"	158.041476	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2H"	2.014552
"218205"	210.386209333333	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+3H"	3.021828
"654118"	315.075676	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+3H"	3.021828
"1172243"	105.696742666667	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+3H"	3.021828
"431139"	646.170623	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+NH4"	18.033823
"792133"	960.239023	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+NH4"	18.033823
"1695404"	332.102223	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+NH4"	18.033823
"343314"	323.5889495	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+H+NH4"	19.041099
"736467"	480.6231495	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+H+NH4"	19.041099
"1490286"	166.5547495	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H+NH4"	19.041099
"406049"	651.126018	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+Na"	22.989218
"762672"	965.194418	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+Na"	22.989218
"1610771"	337.057618	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Na"	22.989218
"325183"	326.066647	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+H+Na"	23.996494
"716508"	483.100847	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+H+Na"	23.996494
"1463768"	169.032447	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H+Na"	23.996494
"1054826"	113.024056666667	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2H+Na"	25.00377
"1259059"	347.101886	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+CH3OH+H"	33.033486
"380552"	667.099958	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+K"	38.963158
"739361"	981.168358	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+K"	38.963158
"1546881"	353.031558	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+K"	38.963158
"302963"	334.053617	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+H+K"	39.970434
"698665"	491.087817	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+H+K"	39.970434
"1456131"	177.019417	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H+K"	39.970434
"246919"	670.170626	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+ACN+H"	42.033826
"1220356"	356.102226	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+ACN+H"	42.033826
"1203146"	178.554751	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+ACN+2H"	43.041102
"203317"	673.10796	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+2Na-H"	44.97116
"643120"	987.17636	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+2Na-H"	44.97116
"1144925"	359.03956	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2Na-H"	44.97116
"186518"	337.057618	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+2Na"	45.978436
"626924"	494.091818	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+2Na"	45.978436
"1129096"	180.023418	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2Na"	45.978436
"1411525"	120.351370666667	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H+2Na"	46.985712
"1443276"	361.081146	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H+HCOOH"	47.012746
"234918"	342.09064	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+3H2O+2H"	56.04448
"1521396"	375.13319	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+IsoProp+H"	61.06479
"420352"	345.044588	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+Na+K"	61.952376
"779523"	502.078788	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+Na+K"	61.952376
"1675854"	188.010388	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Na+K"	61.952376
"262374"	692.152568	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+ACN+Na"	64.015768
"1229613"	378.084168	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+ACN+Na"	64.015768
"1716677"	378.107693	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+NH4+HCOOH"	64.039293
"1184947"	127.678684666667	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+3Na"	68.967654
"1658121"	383.063088	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Na+HCOOH"	68.994688
"160970"	705.05584	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+2K-H"	76.91904
"599439"	1019.12424	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+2K-H"	76.91904
"1085773"	390.98744	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2K-H"	76.91904
"143687"	353.031558	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"2M+2K"	77.926316
"593093"	510.065758	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"3M+2K"	77.926316
"1083814"	195.997358	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2K"	77.926316
"1114100"	393.001992	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2K+H"	78.933592
"1347203"	393.089607	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+DMSO+H"	79.021207
"1014641"	397.128776	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2ACN+H"	83.060376
"1530576"	398.122408	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+IsoProp+Na+H"	84.054008
"1001400"	199.068026	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+2ACN+2H"	84.067652
"1591531"	399.037028	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+K+HCOOH"	84.968628
"1421564"	429.068538	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+H+CF3COOH"	115.000138
"1149665"	219.581301	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+3ACN+2H"	125.094202
"1700311"	446.095085	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+NH4+CF3COOH"	132.026685
"1634908"	451.05048	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+Na+CF3COOH"	136.98208
"1573074"	467.02442	"C05308"	"Linalyl diphosphate;LPP"	"C10H20O7P2"	"314.0684"	"M+K+CF3COOH"	152.95602
"809640"	576.4179	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M"	0
"988642"	557.39951	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-H2O-H"	-19.01839
"72513"	383.271324	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M-3H"	-3.021828
"509884"	575.410624	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M-3H"	-3.021828
"889873"	191.132024	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-3H"	-3.021828
"9542"	575.410624	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M-2H"	-2.014552
"449102"	863.619574	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M-2H"	-2.014552
"830183"	287.201674	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-2H"	-2.014552
"92850"	1151.828524	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M-H"	-1.007276
"524268"	1728.246424	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M-H"	-1.007276
"906443"	575.410624	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-H"	-1.007276
"60460"	1168.855071	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M-2H+NH4"	16.019271
"500748"	1745.272971	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M-2H+NH4"	16.019271
"874904"	592.437171	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-2H+NH4"	16.019271
"38430"	1173.810466	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M-2H+Na"	20.974666
"479084"	1750.228366	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M-2H+Na"	20.974666
"853604"	597.392566	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-2H+Na"	20.974666
"1624595"	597.392566	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Na-2H"	20.974666
"97483"	593.398963	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M-H+Cl"	33.962126
"537406"	881.607913	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M-H+Cl"	33.962126
"927765"	305.190013	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-H+Cl"	33.962126
"272399"	1187.805202	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+Cl"	34.969402
"660809"	1764.223102	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+Cl"	34.969402
"1275034"	611.387302	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Cl"	34.969402
"20874"	1189.784406	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M-2H+K"	36.948606
"458248"	1766.202306	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M-2H+K"	36.948606
"841519"	613.366506	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-2H+K"	36.948606
"1566102"	613.366506	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+K-2H"	36.948606
"955079"	621.416094	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-H+HCOOH"	44.998194
"371108"	1197.834001	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+HCOOH-H"	44.998201
"354990"	1211.849651	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+Hac-H"	59.013851
"1500542"	635.431751	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Hac-H"	59.013851
"963710"	643.398051	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-H+NaCOOH"	66.980151
"120275"	611.387302	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+2Cl"	69.938804
"560929"	899.596252	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+2Cl"	69.938804
"1035927"	323.178352	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2Cl"	69.938804
"1256600"	655.336785	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Br"	78.918885
"1316863"	657.392772	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Cl+HCOOH"	80.974872
"1328159"	679.374729	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Cl+NaCOOH"	102.956829
"918128"	689.403486	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M-H+CF3COOH"	112.985586
"1295931"	725.380164	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Cl+CF3COOH"	148.962264
"1376280"	541.405224	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H-2H2O"	-35.012676
"1390495"	559.4152	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H-H2O"	-17.0027
"293464"	1153.843076	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+H"	1.007276
"689537"	1730.260976	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+H"	1.007276
"1363332"	577.425176	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H"	1.007276
"135128"	577.425176	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+2H"	2.014552
"572501"	865.634126	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+2H"	2.014552
"1050778"	289.216226	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2H"	2.014552
"216856"	385.285876	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+3H"	3.021828
"658604"	577.425176	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+3H"	3.021828
"1169074"	193.146576	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+3H"	3.021828
"430161"	1170.869623	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+NH4"	18.033823
"798454"	1747.287523	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+NH4"	18.033823
"1691867"	594.451723	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+NH4"	18.033823
"341603"	585.9384495	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+H+NH4"	19.041099
"737187"	874.1473995	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+H+NH4"	19.041099
"1491854"	297.7294995	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H+NH4"	19.041099
"407863"	1175.825018	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+Na"	22.989218
"762782"	1752.242918	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+Na"	22.989218
"1611973"	599.407118	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Na"	22.989218
"320920"	588.416147	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+H+Na"	23.996494
"713338"	876.625097	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+H+Na"	23.996494
"1468252"	300.207197	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H+Na"	23.996494
"1057124"	200.47389	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2H+Na"	25.00377
"1259900"	609.451386	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+CH3OH+H"	33.033486
"383944"	1191.798958	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+K"	38.963158
"744939"	1768.216858	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+K"	38.963158
"1544805"	615.381058	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+K"	38.963158
"307449"	596.403117	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+H+K"	39.970434
"700964"	884.612067	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+H+K"	39.970434
"1460497"	308.194167	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H+K"	39.970434
"249946"	1194.869626	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+ACN+H"	42.033826
"1224357"	618.451726	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+ACN+H"	42.033826
"1208847"	309.729501	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+ACN+2H"	43.041102
"202333"	1197.80696	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+2Na-H"	44.97116
"641774"	1774.22486	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+2Na-H"	44.97116
"1143941"	621.38906	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2Na-H"	44.97116
"186501"	599.407118	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+2Na"	45.978436
"626788"	887.616068	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+2Na"	45.978436
"1129201"	311.198168	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2Na"	45.978436
"1410539"	207.801204	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H+2Na"	46.985712
"1442287"	623.430646	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H+HCOOH"	47.012746
"232349"	604.44014	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+3H2O+2H"	56.04448
"1521506"	637.48269	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+IsoProp+H"	61.06479
"417544"	607.394088	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+Na+K"	61.952376
"777446"	895.603038	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+Na+K"	61.952376
"1675964"	319.185138	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Na+K"	61.952376
"262120"	1216.851568	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+ACN+Na"	64.015768
"1229725"	640.433668	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+ACN+Na"	64.015768
"1716788"	640.457193	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+NH4+HCOOH"	64.039293
"1182871"	215.128518	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+3Na"	68.967654
"1653126"	645.412588	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Na+HCOOH"	68.994688
"158530"	1229.75484	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+2K-H"	76.91904
"597725"	1806.17274	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+2K-H"	76.91904
"1086612"	653.33694	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2K-H"	76.91904
"156447"	615.381058	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"2M+2K"	77.926316
"596250"	903.590008	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"3M+2K"	77.926316
"1083682"	327.172108	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2K"	77.926316
"1110929"	655.351492	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2K+H"	78.933592
"1346219"	655.439107	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+DMSO+H"	79.021207
"1015841"	659.478276	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2ACN+H"	83.060376
"1529595"	660.471908	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+IsoProp+Na+H"	84.054008
"999324"	330.242776	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+2ACN+2H"	84.067652
"1596015"	661.386528	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+K+HCOOH"	84.968628
"1419489"	691.418038	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+H+CF3COOH"	115.000138
"1153056"	350.756051	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+3ACN+2H"	125.094202
"1700422"	708.444585	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+NH4+CF3COOH"	132.026685
"1641541"	713.39998	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+Na+CF3COOH"	136.98208
"1576103"	729.37392	"C05313"	"3-Hexaprenyl-4-hydroxy-5-methoxybenzoate"	"C38H56O4"	"576.4179"	"M+K+CF3COOH"	152.95602
"808657"	237.1518	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M"	0
"986565"	218.13341	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-H2O-H"	-19.01839
"73717"	157.093924	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M-3H"	-3.021828
"513274"	236.144524	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M-3H"	-3.021828
"889983"	78.043324	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-3H"	-3.021828
"11838"	236.144524	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M-2H"	-2.014552
"448119"	354.720424	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M-2H"	-2.014552
"831875"	117.568624	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-2H"	-2.014552
"91379"	473.296324	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M-H"	-1.007276
"526563"	710.448124	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M-H"	-1.007276
"906553"	236.144524	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-H"	-1.007276
"61421"	490.322871	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M-2H+NH4"	16.019271
"500980"	727.474671	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M-2H+NH4"	16.019271
"874650"	253.171071	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-2H+NH4"	16.019271
"39633"	495.278266	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M-2H+Na"	20.974666
"480287"	732.430066	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M-2H+Na"	20.974666
"854079"	258.126466	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-2H+Na"	20.974666
"1626526"	258.126466	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Na-2H"	20.974666
"96862"	254.132863	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M-H+Cl"	33.962126
"538245"	372.708763	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M-H+Cl"	33.962126
"931758"	135.556963	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-H+Cl"	33.962126
"270685"	509.273002	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+Cl"	34.969402
"661525"	746.424802	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+Cl"	34.969402
"1274779"	272.121202	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Cl"	34.969402
"20984"	511.252206	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M-2H+K"	36.948606
"458358"	748.404006	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M-2H+K"	36.948606
"836161"	274.100406	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-2H+K"	36.948606
"1564025"	274.100406	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+K-2H"	36.948606
"954096"	282.149994	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-H+HCOOH"	44.998194
"372677"	519.301801	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+HCOOH-H"	44.998201
"355099"	533.317451	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+Hac-H"	59.013851
"1500652"	296.165651	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Hac-H"	59.013851
"967099"	304.131951	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-H+NaCOOH"	66.980151
"118198"	272.121202	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+2Cl"	69.938804
"562132"	390.697102	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+2Cl"	69.938804
"1034215"	153.545302	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2Cl"	69.938804
"1254522"	316.070685	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Br"	78.918885
"1315151"	318.126672	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Cl+HCOOH"	80.974872
"1326081"	340.108629	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Cl+NaCOOH"	102.956829
"917145"	350.137386	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M-H+CF3COOH"	112.985586
"1294948"	386.114064	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Cl+CF3COOH"	148.962264
"1374202"	202.139124	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H-2H2O"	-35.012676
"1389511"	220.1491	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H-H2O"	-17.0027
"293574"	475.310876	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+H"	1.007276
"690864"	712.462676	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+H"	1.007276
"1365996"	238.159076	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H"	1.007276
"137792"	238.159076	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+2H"	2.014552
"579903"	356.734976	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+2H"	2.014552
"1050159"	119.583176	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2H"	2.014552
"215507"	159.108476	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+3H"	3.021828
"655431"	238.159076	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+3H"	3.021828
"1166997"	80.057876	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+3H"	3.021828
"430272"	492.337423	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+NH4"	18.033823
"800020"	729.489223	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+NH4"	18.033823
"1695988"	255.185623	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+NH4"	18.033823
"344267"	246.6723495	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+H+NH4"	19.041099
"737419"	365.2482495	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+H+NH4"	19.041099
"1492372"	128.0964495	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H+NH4"	19.041099
"407972"	497.292818	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+Na"	22.989218
"766904"	734.444618	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+Na"	22.989218
"1614270"	260.141018	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Na"	22.989218
"325400"	249.150047	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+H+Na"	23.996494
"712354"	367.725947	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+H+Na"	23.996494
"1468362"	130.574147	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H+Na"	23.996494
"1056141"	87.38519	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2H+Na"	25.00377
"1260374"	270.185286	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+CH3OH+H"	33.033486
"387335"	513.266758	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+K"	38.963158
"748329"	750.418558	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+K"	38.963158
"1544915"	276.114958	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+K"	38.963158
"308651"	257.137017	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+H+K"	39.970434
"702166"	375.712917	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+H+K"	39.970434
"1460362"	138.561117	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H+K"	39.970434
"250420"	516.337426	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+ACN+H"	42.033826
"1223859"	279.185626	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+ACN+H"	42.033826
"1208957"	140.096451	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+ACN+2H"	43.041102
"204143"	519.27476	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+2Na-H"	44.97116
"642004"	756.42656	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+2Na-H"	44.97116
"1144053"	282.12296	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2Na-H"	44.97116
"185516"	260.141018	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+2Na"	45.978436
"626167"	378.716918	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+2Na"	45.978436
"1128580"	141.565118	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2Na"	45.978436
"1412108"	94.712504	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H+2Na"	46.985712
"1442396"	284.164546	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H+HCOOH"	47.012746
"232092"	265.17404	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+3H2O+2H"	56.04448
"1521248"	298.21659	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+IsoProp+H"	61.06479
"418747"	268.127988	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+Na+K"	61.952376
"779743"	386.703888	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+Na+K"	61.952376
"1670606"	149.552088	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Na+K"	61.952376
"262594"	538.319368	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+ACN+Na"	64.015768
"1229106"	301.167568	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+ACN+Na"	64.015768
"1716534"	301.191093	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+NH4+HCOOH"	64.039293
"1182981"	102.039818	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+3Na"	68.967654
"1652508"	306.146488	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Na+HCOOH"	68.994688
"158642"	551.22264	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+2K-H"	76.91904
"597710"	788.37444	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+2K-H"	76.91904
"1085747"	314.07084	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2K-H"	76.91904
"150470"	276.114958	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"2M+2K"	77.926316
"596240"	394.690858	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"3M+2K"	77.926316
"1083998"	157.539058	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2K"	77.926316
"1111039"	316.085392	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2K+H"	78.933592
"1347423"	316.173007	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+DMSO+H"	79.021207
"1017045"	320.212176	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2ACN+H"	83.060376
"1529704"	321.205808	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+IsoProp+Na+H"	84.054008
"999433"	160.609726	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+2ACN+2H"	84.067652
"1596125"	322.120428	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+K+HCOOH"	84.968628
"1419599"	352.151938	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+H+CF3COOH"	115.000138
"1153166"	181.123001	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+3ACN+2H"	125.094202
"1700532"	369.178485	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+NH4+CF3COOH"	132.026685
"1641651"	374.13388	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+Na+CF3COOH"	136.98208
"1576213"	390.10782	"C05314"	"N-Methyl-(RS)-tetrahydrobenzylisoquinoline;N-Methyl-(RS)-1-benzyl-1234-tetrahydroisoquinoline"	"C17H19N"	"237.1518"	"M+K+CF3COOH"	152.95602
"810954"	352.1549	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M"	0
"988498"	333.13651	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-H2O-H"	-19.01839
"72733"	233.762657333333	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M-3H"	-3.021828
"512291"	351.147624	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M-3H"	-3.021828
"887906"	116.377690666667	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-3H"	-3.021828
"8668"	351.147624	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M-2H"	-2.014552
"449322"	527.225074	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M-2H"	-2.014552
"830403"	175.070174	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-2H"	-2.014552
"91489"	703.302524	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M-H"	-1.007276
"525580"	1055.457424	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M-H"	-1.007276
"903383"	351.147624	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-H"	-1.007276
"55573"	720.329071	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M-2H+NH4"	16.019271
"497321"	1072.483971	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M-2H+NH4"	16.019271
"869656"	368.174171	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-2H+NH4"	16.019271
"38649"	725.284466	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M-2H+Na"	20.974666
"479303"	1077.439366	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M-2H+Na"	20.974666
"857106"	373.129566	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-2H+Na"	20.974666
"1624451"	373.129566	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Na-2H"	20.974666
"99888"	369.135963	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M-H+Cl"	33.962126
"538718"	545.213413	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M-H+Cl"	33.962126
"930774"	193.058513	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-H+Cl"	33.962126
"275167"	739.279202	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+Cl"	34.969402
"663214"	1091.434102	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+Cl"	34.969402
"1277073"	387.124302	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Cl"	34.969402
"21094"	741.258406	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M-2H+K"	36.948606
"458832"	1093.413306	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M-2H+K"	36.948606
"836271"	389.103506	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-2H+K"	36.948606
"1563042"	389.103506	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+K-2H"	36.948606
"956393"	397.153094	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-H+HCOOH"	44.998194
"373515"	749.308001	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+HCOOH-H"	44.998201
"355209"	763.323651	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+Hac-H"	59.013851
"1501855"	411.168751	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Hac-H"	59.013851
"970489"	419.135051	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-H+NaCOOH"	66.980151
"117215"	387.124302	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+2Cl"	69.938804
"562242"	563.201752	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+2Cl"	69.938804
"1035417"	211.046852	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2Cl"	69.938804
"1253903"	431.073785	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Br"	78.918885
"1315990"	433.129772	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Cl+HCOOH"	80.974872
"1325098"	455.111729	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Cl+NaCOOH"	102.956829
"918348"	465.140486	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M-H+CF3COOH"	112.985586
"1296151"	501.117164	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Cl+CF3COOH"	148.962264
"1370666"	317.142224	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H-2H2O"	-35.012676
"1386705"	335.1522	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H-H2O"	-17.0027
"293685"	705.317076	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+H"	1.007276
"691138"	1057.471976	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+H"	1.007276
"1366104"	353.162176	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H"	1.007276
"137901"	353.162176	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+2H"	2.014552
"576731"	529.239626	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+2H"	2.014552
"1050269"	177.084726	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2H"	2.014552
"214887"	235.777209333333	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+3H"	3.021828
"655541"	353.162176	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+3H"	3.021828
"1166014"	118.392242666667	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+3H"	3.021828
"431475"	722.343623	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+NH4"	18.033823
"799767"	1074.498523	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+NH4"	18.033823
"1695734"	370.188723	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+NH4"	18.033823
"344378"	361.6754495	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+H+NH4"	19.041099
"737892"	537.7528995	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+H+NH4"	19.041099
"1491831"	185.5979995	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H+NH4"	19.041099
"407961"	727.299018	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+Na"	22.989218
"766285"	1079.453918	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+Na"	22.989218
"1616566"	375.144118	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Na"	22.989218
"325510"	364.153147	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+H+Na"	23.996494
"712464"	540.230597	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+H+Na"	23.996494
"1467380"	188.075697	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H+Na"	23.996494
"1058438"	125.719556666667	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2H+Na"	25.00377
"1261213"	385.188386	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+CH3OH+H"	33.033486
"388538"	743.272958	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+K"	38.963158
"748439"	1095.427858	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+K"	38.963158
"1545025"	391.118058	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+K"	38.963158
"308761"	372.140117	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+H+K"	39.970434
"702276"	548.217567	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+H+K"	39.970434
"1460836"	196.062667	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H+K"	39.970434
"251178"	746.343626	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+ACN+H"	42.033826
"1225227"	394.188726	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+ACN+H"	42.033826
"1209766"	197.598001	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+ACN+2H"	43.041102
"203767"	749.28096	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+2Na-H"	44.97116
"642114"	1101.43586	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+2Na-H"	44.97116
"1144891"	397.12606	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2Na-H"	44.97116
"187083"	375.144118	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+2Na"	45.978436
"627008"	551.221568	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+2Na"	45.978436
"1128326"	199.066668	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2Na"	45.978436
"1412705"	133.046870666667	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H+2Na"	46.985712
"1442506"	399.167646	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H+HCOOH"	47.012746
"234025"	380.17714	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+3H2O+2H"	56.04448
"1521723"	413.21969	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+IsoProp+H"	61.06479
"421044"	383.131088	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+Na+K"	61.952376
"779853"	559.208538	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+Na+K"	61.952376
"1670716"	207.053638	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Na+K"	61.952376
"260517"	768.325568	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+ACN+Na"	64.015768
"1229945"	416.170668	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+ACN+Na"	64.015768
"1715911"	416.194193	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+NH4+HCOOH"	64.039293
"1185277"	140.374184666667	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+3Na"	68.967654
"1654076"	421.149588	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Na+HCOOH"	68.994688
"162032"	781.22884	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+2K-H"	76.91904
"599401"	1133.38374	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+2K-H"	76.91904
"1089384"	429.07394	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2K-H"	76.91904
"151672"	391.118058	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"2M+2K"	77.926316
"596593"	567.195508	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"3M+2K"	77.926316
"1083904"	215.040608	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2K"	77.926316
"1111149"	431.088492	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2K+H"	78.933592
"1346440"	431.176107	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+DMSO+H"	79.021207
"1014968"	435.215276	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2ACN+H"	83.060376
"1529814"	436.208908	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+IsoProp+Na+H"	84.054008
"997356"	218.111276	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+2ACN+2H"	84.067652
"1595142"	437.123528	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+K+HCOOH"	84.968628
"1420802"	467.155038	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+H+CF3COOH"	115.000138
"1151089"	238.624551	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+3ACN+2H"	125.094202
"1700642"	484.181585	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+NH4+CF3COOH"	132.026685
"1641761"	489.13698	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+Na+CF3COOH"	136.98208
"1579603"	505.11092	"C05315"	"Palmatine;56-Dihydro-23910-tetramethoxydibenzoagquinolizinium"	"C21H22NO4"	"352.1549"	"M+K+CF3COOH"	152.95602
"808877"	393.1212	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M"	0
"988973"	374.10281	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-H2O-H"	-19.01839
"72843"	261.073524	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M-3H"	-3.021828
"513494"	392.113924	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M-3H"	-3.021828
"895186"	130.033124	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-3H"	-3.021828
"8777"	392.113924	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M-2H"	-2.014552
"446151"	588.674524	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M-2H"	-2.014552
"829419"	195.553324	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-2H"	-2.014552
"92692"	785.235124	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M-H"	-1.007276
"526782"	1178.356324	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M-H"	-1.007276
"902400"	392.113924	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-H"	-1.007276
"51309"	802.261671	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M-2H+NH4"	16.019271
"497431"	1195.382871	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M-2H+NH4"	16.019271
"869766"	409.140471	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-2H+NH4"	16.019271
"37666"	807.217066	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M-2H+Na"	20.974666
"477226"	1200.338266	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M-2H+Na"	20.974666
"852842"	414.095866	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-2H+Na"	20.974666
"1623468"	414.095866	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Na-2H"	20.974666
"99994"	410.102263	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M-H+Cl"	33.962126
"537733"	606.662863	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M-H+Cl"	33.962126
"930884"	213.541663	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-H+Cl"	33.962126
"269445"	821.211802	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+Cl"	34.969402
"662231"	1214.333002	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+Cl"	34.969402
"1274510"	428.090602	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Cl"	34.969402
"21204"	823.191006	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M-2H+K"	36.948606
"458578"	1216.312206	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M-2H+K"	36.948606
"836381"	430.069806	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-2H+K"	36.948606
"1564245"	430.069806	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+K-2H"	36.948606
"954681"	438.119394	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-H+HCOOH"	44.998194
"370343"	831.240601	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+HCOOH-H"	44.998201
"355319"	845.256251	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+Hac-H"	59.013851
"1499778"	452.135051	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Hac-H"	59.013851
"967319"	460.101351	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-H+NaCOOH"	66.980151
"115136"	428.090602	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+2Cl"	69.938804
"560165"	624.651202	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+2Cl"	69.938804
"1033340"	231.530002	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2Cl"	69.938804
"1256848"	472.040085	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Br"	78.918885
"1315370"	474.096072	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Cl+HCOOH"	80.974872
"1324115"	496.078029	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Cl+NaCOOH"	102.956829
"918458"	506.106786	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M-H+CF3COOH"	112.985586
"1295167"	542.083464	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Cl+CF3COOH"	148.962264
"1370776"	358.108524	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H-2H2O"	-35.012676
"1385356"	376.1185	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H-H2O"	-17.0027
"294159"	787.249676	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+H"	1.007276
"691248"	1180.370876	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+H"	1.007276
"1365122"	394.128476	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H"	1.007276
"139105"	394.128476	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+2H"	2.014552
"577936"	590.689076	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+2H"	2.014552
"1051109"	197.567876	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2H"	2.014552
"214997"	263.088076	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+3H"	3.021828
"656380"	394.128476	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+3H"	3.021828
"1168310"	132.047676	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+3H"	3.021828
"431585"	804.276223	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+NH4"	18.033823
"800240"	1197.397423	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+NH4"	18.033823
"1696572"	411.155023	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+NH4"	18.033823
"345175"	402.6417495	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+H+NH4"	19.041099
"736178"	599.2023495	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+H+NH4"	19.041099
"1491818"	206.0811495	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H+NH4"	19.041099
"406490"	809.231618	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+Na"	22.989218
"766395"	1202.352818	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+Na"	22.989218
"1613397"	416.110418	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Na"	22.989218
"327806"	405.119447	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+H+Na"	23.996494
"715855"	601.680047	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+H+Na"	23.996494
"1469678"	208.558847	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H+Na"	23.996494
"1058549"	139.37499	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2H+Na"	25.00377
"1263509"	426.154686	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+CH3OH+H"	33.033486
"384271"	825.205558	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+K"	38.963158
"750736"	1218.326758	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+K"	38.963158
"1553518"	432.084358	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+K"	38.963158
"307778"	413.106417	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+H+K"	39.970434
"704573"	609.667017	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+H+K"	39.970434
"1459854"	216.545817	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H+K"	39.970434
"249547"	828.276226	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+ACN+H"	42.033826
"1223713"	435.155026	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+ACN+H"	42.033826
"1203586"	218.081151	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+ACN+2H"	43.041102
"198645"	831.21356	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+2Na-H"	44.97116
"642588"	1224.33476	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+2Na-H"	44.97116
"1146089"	438.09236	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2Na-H"	44.97116
"187559"	416.110418	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+2Na"	45.978436
"625293"	612.671018	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+2Na"	45.978436
"1129164"	219.549818	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2Na"	45.978436
"1413421"	146.702304	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H+2Na"	46.985712
"1442252"	440.133946	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H+HCOOH"	47.012746
"234135"	421.14344	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+3H2O+2H"	56.04448
"1521104"	454.18599	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+IsoProp+H"	61.06479
"420790"	424.097388	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+Na+K"	61.952376
"777775"	620.657988	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+Na+K"	61.952376
"1676292"	227.536788	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Na+K"	61.952376
"258439"	850.258168	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+ACN+Na"	64.015768
"1231148"	457.136968	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+ACN+Na"	64.015768
"1715659"	457.160493	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+NH4+HCOOH"	64.039293
"1184294"	154.029618	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+3Na"	68.967654
"1653091"	462.115888	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Na+HCOOH"	68.994688
"159954"	863.16144	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+2K-H"	76.91904
"599389"	1256.28264	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+2K-H"	76.91904
"1089494"	470.04024	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2K-H"	76.91904
"151782"	432.084358	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"2M+2K"	77.926316
"596745"	628.644958	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"3M+2K"	77.926316
"1084095"	235.523758	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2K"	77.926316
"1111259"	472.054792	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2K+H"	78.933592
"1346549"	472.142407	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+DMSO+H"	79.021207
"1016172"	476.181576	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2ACN+H"	83.060376
"1529195"	477.175208	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+IsoProp+Na+H"	84.054008
"996373"	238.594426	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+2ACN+2H"	84.067652
"1596345"	478.089828	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+K+HCOOH"	84.968628
"1420912"	508.121338	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+H+CF3COOH"	115.000138
"1152292"	259.107701	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+3ACN+2H"	125.094202
"1704032"	525.147885	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+NH4+CF3COOH"	132.026685
"1641871"	530.10328	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+Na+CF3COOH"	136.98208
"1579713"	546.07722	"C05316"	"Dihydromacarpine;1314-Dihydro-57-dimethoxy-13-methyl-13benzodioxolo56-c-13-dioxolo45-iphenanthridine"	"C22H19NO6"	"393.1212"	"M+K+CF3COOH"	152.95602
"810080"	315.1471	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M"	0
"987989"	296.12871	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"69673"	209.090790666667	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"512513"	314.139824	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"894323"	104.041757333333	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"7794"	314.139824	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"446261"	471.713374	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"829529"	156.566274	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"91708"	629.286924	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"524706"	944.434024	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"902510"	314.139824	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"51419"	646.313471	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"497541"	961.460571	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"869876"	331.166371	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"34861"	651.268866	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"477337"	966.415966	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"852223"	336.121766	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1621391"	336.121766	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"96095"	332.128163	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"534844"	489.701713	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"928442"	174.554613	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"270648"	665.263602	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"661976"	980.410702	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1274378"	350.116502	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"18033"	667.242806	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"461968"	982.389906	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"836491"	352.095706	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1563260"	352.095706	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"954424"	360.145294	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"367172"	675.292401	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"349596"	689.308051	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1496971"	374.160951	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"961231"	382.127251	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"115246"	350.116502	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"558089"	507.690052	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1033450"	192.542952	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1256311"	394.065985	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1317304"	396.121972	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1324225"	418.103929	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"916016"	428.132686	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1295277"	464.109364	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1370522"	280.134424	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1385102"	298.1444	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"293904"	631.301476	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"689244"	946.448576	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1366323"	316.154376	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"140672"	316.154376	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"577316"	473.727926	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1051583"	158.580826	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"216566"	211.105342666667	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"657220"	316.154376	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1167326"	106.056309333333	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"432788"	648.328023	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"798162"	963.475123	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1695832"	333.180923	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"344596"	324.6676495	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"735195"	482.2411995	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1491078"	167.0940995	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"405871"	653.283418	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"766504"	968.430518	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1612414"	338.136318	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"324637"	327.145347	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"715965"	484.718897	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1467601"	169.571797	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1057566"	113.383623333333	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1261432"	348.180586	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"385476"	669.257358	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"748659"	984.404458	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1548525"	354.110258	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"307888"	335.132317	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"699214"	492.705867	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1458505"	177.558767	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"241637"	672.328026	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1222000"	357.180926	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1204789"	179.094101	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"198755"	675.26536	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"643420"	990.41246	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1144740"	360.11826	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"184747"	338.136318	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"623217"	495.709868	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1128546"	180.562768	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1411341"	120.710937333333	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1440176"	362.159846	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"233881"	343.16934	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1517204"	376.21189	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"419443"	346.123288	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"780072"	503.696838	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1673121"	188.549738	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"258549"	694.309968	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1231258"	379.162868	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1720142"	379.186393	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1186590"	128.038251333333	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1656483"	384.141788	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"162979"	707.21324	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"602539"	1022.36034	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1089603"	392.06614	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"151528"	354.110258	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"595834"	511.683808	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1083385"	196.536708	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1105899"	394.080692	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1341556"	394.168307	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1013001"	398.207476	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1528212"	399.201108	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"996483"	199.607376	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1596455"	400.115728	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1421022"	430.147238	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1153496"	220.120651	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1704142"	447.173785	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1641981"	452.12918	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1579823"	468.10312	"C05317"	"Nororientaline"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"814200"	250.1596	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M"	0
"988829"	231.14121	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-H2O-H"	-19.01839
"73063"	165.765790666667	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M-3H"	-3.021828
"514811"	249.152324	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M-3H"	-3.021828
"894319"	82.3792573333333	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-3H"	-3.021828
"10091"	249.152324	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M-2H"	-2.014552
"451838"	374.232124	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M-2H"	-2.014552
"831098"	124.072524	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-2H"	-2.014552
"93646"	499.311924	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M-H"	-1.007276
"529191"	749.471524	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M-H"	-1.007276
"904807"	249.152324	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-H"	-1.007276
"56997"	516.338471	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M-2H+NH4"	16.019271
"495464"	766.498071	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M-2H+NH4"	16.019271
"871078"	266.178871	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-2H+NH4"	16.019271
"36791"	521.293866	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M-2H+Na"	20.974666
"478541"	771.453466	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M-2H+Na"	20.974666
"851968"	271.134266	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-2H+Na"	20.974666
"1621501"	271.134266	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Na-2H"	20.974666
"96205"	267.140663	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M-H+Cl"	33.962126
"535765"	392.220463	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M-H+Cl"	33.962126
"927376"	142.060863	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-H+Cl"	33.962126
"269665"	535.288602	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+Cl"	34.969402
"662087"	785.448202	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+Cl"	34.969402
"1274489"	285.129002	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Cl"	34.969402
"19236"	537.267806	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M-2H+K"	36.948606
"462078"	787.427406	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M-2H+K"	36.948606
"839881"	287.108206	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-2H+K"	36.948606
"1565557"	287.108206	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+K-2H"	36.948606
"950160"	295.157794	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-H+HCOOH"	44.998194
"370562"	545.317401	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+HCOOH-H"	44.998201
"349706"	559.333051	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+Hac-H"	59.013851
"1496351"	309.173451	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Hac-H"	59.013851
"961343"	317.139751	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-H+NaCOOH"	66.980151
"110982"	285.129002	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+2Cl"	69.938804
"561479"	410.208802	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+2Cl"	69.938804
"1030280"	160.049202	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2Cl"	69.938804
"1254232"	329.078485	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Br"	78.918885
"1315590"	331.134472	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Cl+HCOOH"	80.974872
"1330895"	353.116429	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Cl+NaCOOH"	102.956829
"913937"	363.145186	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M-H+CF3COOH"	112.985586
"1289552"	399.121864	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Cl+CF3COOH"	148.962264
"1370268"	215.146924	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H-2H2O"	-35.012676
"1387764"	233.1569	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H-H2O"	-17.0027
"294014"	501.326476	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+H"	1.007276
"687166"	751.486076	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+H"	1.007276
"1365341"	251.166876	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H"	1.007276
"141106"	251.166876	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+2H"	2.014552
"579249"	376.246676	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+2H"	2.014552
"1052301"	126.087076	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2H"	2.014552
"218135"	167.780342666667	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+3H"	3.021828
"659156"	251.166876	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+3H"	3.021828
"1170715"	84.3938093333333	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+3H"	3.021828
"429618"	518.353023	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+NH4"	18.033823
"798272"	768.512623	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+NH4"	18.033823
"1696062"	268.193423	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+NH4"	18.033823
"344099"	259.6801495	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+H+NH4"	19.041099
"737006"	384.7599495	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+H+NH4"	19.041099
"1491309"	134.6003495	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H+NH4"	19.041099
"406345"	523.308418	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+Na"	22.989218
"765520"	773.468018	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+Na"	22.989218
"1611431"	273.148818	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Na"	22.989218
"324747"	262.157847	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+H+Na"	23.996494
"717168"	387.237647	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+H+Na"	23.996494
"1467711"	137.078047	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H+Na"	23.996494
"1058769"	91.7211233333333	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2H+Na"	25.00377
"1260448"	283.193086	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+CH3OH+H"	33.033486
"386680"	539.282358	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+K"	38.963158
"746582"	789.441958	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+K"	38.963158
"1551915"	289.122758	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+K"	38.963158
"307998"	270.144817	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+H+K"	39.970434
"699324"	395.224617	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+H+K"	39.970434
"1460195"	145.065017	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H+K"	39.970434
"245027"	542.353026	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+ACN+H"	42.033826
"1223933"	292.193426	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+ACN+H"	42.033826
"1205992"	146.600351	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+ACN+2H"	43.041102
"199958"	545.29036	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+2Na-H"	44.97116
"639518"	795.44996	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+2Na-H"	44.97116
"1145214"	295.13076	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2Na-H"	44.97116
"185589"	273.148818	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+2Na"	45.978436
"625513"	398.228618	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+2Na"	45.978436
"1127929"	148.069018	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2Na"	45.978436
"1413278"	99.0484373333333	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H+2Na"	46.985712
"1443202"	297.172346	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H+HCOOH"	47.012746
"234964"	278.18184	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+3H2O+2H"	56.04448
"1522418"	311.22439	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+IsoProp+H"	61.06479
"421376"	281.135788	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+Na+K"	61.952376
"779819"	406.215588	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+Na+K"	61.952376
"1675054"	156.055988	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Na+K"	61.952376
"261211"	564.334968	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+ACN+Na"	64.015768
"1232462"	314.175368	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+ACN+Na"	64.015768
"1719159"	314.198893	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+NH4+HCOOH"	64.039293
"1186337"	106.375751333333	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+3Na"	68.967654
"1654042"	319.154288	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Na+HCOOH"	68.994688
"160173"	577.23824	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+2K-H"	76.91904
"603013"	827.39784	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+2K-H"	76.91904
"1088620"	327.07864	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2K-H"	76.91904
"151638"	289.122758	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"2M+2K"	77.926316
"585001"	414.202558	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"3M+2K"	77.926316
"1084142"	164.042958	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2K"	77.926316
"1112449"	329.093192	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2K+H"	78.933592
"1343489"	329.180807	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+DMSO+H"	79.021207
"1013111"	333.219976	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2ACN+H"	83.060376
"1532330"	334.213608	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+IsoProp+Na+H"	84.054008
"995498"	167.113626	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+2ACN+2H"	84.067652
"1598752"	335.128228	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+K+HCOOH"	84.968628
"1425505"	365.159738	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+H+CF3COOH"	115.000138
"1161260"	187.626901	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+3ACN+2H"	125.094202
"1704252"	382.186285	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+NH4+CF3COOH"	132.026685
"1642091"	387.14168	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+Na+CF3COOH"	136.98208
"1576653"	403.11562	"C05318"	"cis-N-Methyl-(S)-781314-tetrahydroprotoberberine"	"C18H20N"	"250.1596"	"M+K+CF3COOH"	152.95602
"810303"	371.1733	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M"	0
"977276"	352.15491	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-H2O-H"	-19.01839
"65516"	246.441590666667	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M-3H"	-3.021828
"514917"	370.166024	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M-3H"	-3.021828
"891626"	122.717157333333	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-3H"	-3.021828
"12022"	370.166024	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M-2H"	-2.014552
"449769"	555.752674	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M-2H"	-2.014552
"826475"	184.579374	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-2H"	-2.014552
"87561"	741.339324	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M-H"	-1.007276
"522745"	1112.512624	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M-H"	-1.007276
"906019"	370.166024	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-H"	-1.007276
"57113"	758.365871	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M-2H+NH4"	16.019271
"495577"	1129.539171	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M-2H+NH4"	16.019271
"868639"	387.192571	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-2H+NH4"	16.019271
"37267"	763.321266	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M-2H+Na"	20.974666
"476828"	1134.494566	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M-2H+Na"	20.974666
"854263"	392.147966	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-2H+Na"	20.974666
"1624890"	392.147966	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Na-2H"	20.974666
"100325"	388.154363	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M-H+Cl"	33.962126
"537336"	573.741013	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M-H+Cl"	33.962126
"935597"	202.567713	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-H+Cl"	33.962126
"274155"	777.316002	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+Cl"	34.969402
"669855"	1148.489302	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+Cl"	34.969402
"1274607"	406.142702	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Cl"	34.969402
"24816"	779.295206	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M-2H+K"	36.948606
"457086"	1150.468506	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M-2H+K"	36.948606
"839993"	408.121906	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-2H+K"	36.948606
"1563483"	408.121906	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+K-2H"	36.948606
"945898"	416.171494	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-H+HCOOH"	44.998194
"364481"	787.344801	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+HCOOH-H"	44.998201
"350917"	801.360451	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+Hac-H"	59.013851
"1500477"	430.187151	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Hac-H"	59.013851
"964374"	438.153451	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-H+NaCOOH"	66.980151
"111452"	406.142702	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+2Cl"	69.938804
"553207"	591.729352	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+2Cl"	69.938804
"1029663"	220.556052	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2Cl"	69.938804
"1247783"	450.092185	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Br"	78.918885
"1306345"	452.148172	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Cl+HCOOH"	80.974872
"1324083"	474.130129	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Cl+NaCOOH"	102.956829
"912954"	484.158886	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M-H+CF3COOH"	112.985586
"1291488"	520.135564	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Cl+CF3COOH"	148.962264
"1367700"	336.160624	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H-2H2O"	-35.012676
"1398175"	354.1706	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H-H2O"	-17.0027
"291939"	743.353876	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+H"	1.007276
"688006"	1114.527176	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+H"	1.007276
"1356337"	372.180576	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H"	1.007276
"131412"	372.180576	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+2H"	2.014552
"574252"	557.767226	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+2H"	2.014552
"1045971"	186.593926	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2H"	2.014552
"208040"	248.456142666667	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+3H"	3.021828
"651612"	372.180576	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+3H"	3.021828
"1173024"	124.731709333333	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+3H"	3.021828
"437385"	760.380423	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+NH4"	18.033823
"795103"	1131.553723	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+NH4"	18.033823
"1690340"	389.207123	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+NH4"	18.033823
"340807"	380.6938495	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+H+NH4"	19.041099
"733227"	566.2804995	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+H+NH4"	19.041099
"1488139"	195.1071995	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H+NH4"	19.041099
"394793"	765.335818	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+Na"	22.989218
"757975"	1136.509118	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+Na"	22.989218
"1604979"	394.162518	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Na"	22.989218
"319390"	383.171547	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+H+Na"	23.996494
"712907"	568.758197	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+H+Na"	23.996494
"1467821"	197.584897	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H+Na"	23.996494
"1064346"	132.059023333333	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2H+Na"	25.00377
"1267118"	404.206786	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+CH3OH+H"	33.033486
"388976"	781.309758	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+K"	38.963158
"751792"	1152.483058	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+K"	38.963158
"1555148"	410.136458	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+K"	38.963158
"311751"	391.158517	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+H+K"	39.970434
"705265"	576.745167	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+H+K"	39.970434
"1457627"	205.571867	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H+K"	39.970434
"250242"	784.380426	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+ACN+H"	42.033826
"1223680"	413.207126	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+ACN+H"	42.033826
"1209629"	207.107201	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+ACN+2H"	43.041102
"203918"	787.31776	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+2Na-H"	44.97116
"639635"	1158.49106	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+2Na-H"	44.97116
"1142777"	416.14446	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2Na-H"	44.97116
"177682"	394.162518	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+2Na"	45.978436
"623439"	579.749168	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+2Na"	45.978436
"1122937"	208.575868	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2Na"	45.978436
"1410834"	139.386337333333	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H+2Na"	46.985712
"1441858"	418.186046	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H+HCOOH"	47.012746
"231187"	399.19554	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+3H2O+2H"	56.04448
"1522165"	432.23809	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+IsoProp+H"	61.06479
"421125"	402.149488	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+Na+K"	61.952376
"779566"	587.736138	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+Na+K"	61.952376
"1675533"	216.562838	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Na+K"	61.952376
"255853"	806.362368	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+ACN+Na"	64.015768
"1234029"	435.189068	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+ACN+Na"	64.015768
"1721456"	435.212593	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+NH4+HCOOH"	64.039293
"1188268"	146.713651333333	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+3Na"	68.967654
"1657795"	440.167988	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Na+HCOOH"	68.994688
"164656"	819.26564	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+2K-H"	76.91904
"599119"	1190.43894	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+2K-H"	76.91904
"1086181"	448.09234	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2K-H"	76.91904
"149930"	410.136458	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"2M+2K"	77.926316
"588401"	595.723108	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"3M+2K"	77.926316
"1076196"	224.549808	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2K"	77.926316
"1108311"	450.106892	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2K+H"	78.933592
"1347975"	450.194507	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+DMSO+H"	79.021207
"1013227"	454.233676	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2ACN+H"	83.060376
"1531350"	455.227308	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+IsoProp+Na+H"	84.054008
"995613"	227.620476	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+2ACN+2H"	84.067652
"1594489"	456.141928	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+K+HCOOH"	84.968628
"1420149"	486.173438	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+H+CF3COOH"	115.000138
"1160289"	248.133751	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+3ACN+2H"	125.094202
"1707653"	503.199985	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+NH4+CF3COOH"	132.026685
"1645489"	508.15538	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+Na+CF3COOH"	136.98208
"1572391"	524.12932	"C05322"	"7-O-Acetylsalutaridinol;Salutaridinol acetate"	"C21H25NO5"	"371.1733"	"M+K+CF3COOH"	152.95602
"810413"	303.143	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M"	0
"983946"	284.12461	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-H2O-H"	-19.01839
"75468"	201.088057333333	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M-3H"	-3.021828
"511747"	302.135724	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M-3H"	-3.021828
"892830"	100.040390666667	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-3H"	-3.021828
"11403"	302.135724	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M-2H"	-2.014552
"449879"	453.707224	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M-2H"	-2.014552
"825492"	150.564224	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-2H"	-2.014552
"85484"	605.278724	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M-H"	-1.007276
"523949"	908.421724	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M-H"	-1.007276
"903943"	302.135724	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-H"	-1.007276
"56130"	622.305271	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M-2H+NH4"	16.019271
"493501"	925.448271	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M-2H+NH4"	16.019271
"870209"	319.162271	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-2H+NH4"	16.019271
"36284"	627.260666	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M-2H+Na"	20.974666
"475845"	930.403666	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M-2H+Na"	20.974666
"852916"	324.117666	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-2H+Na"	20.974666
"1623178"	324.117666	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Na-2H"	20.974666
"99342"	320.124063	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M-H+Cl"	33.962126
"536352"	471.695563	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M-H+Cl"	33.962126
"934613"	168.552563	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-H+Cl"	33.962126
"270984"	641.255402	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+Cl"	34.969402
"664498"	944.398402	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+Cl"	34.969402
"1274717"	338.112402	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Cl"	34.969402
"27113"	643.234606	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M-2H+K"	36.948606
"456587"	946.377606	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M-2H+K"	36.948606
"836823"	340.091606	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-2H+K"	36.948606
"1563593"	340.091606	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+K-2H"	36.948606
"946008"	348.141194	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-H+HCOOH"	44.998194
"367507"	651.284201	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+HCOOH-H"	44.998201
"352485"	665.299851	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+Hac-H"	59.013851
"1500587"	362.156851	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Hac-H"	59.013851
"963755"	370.123151	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-H+NaCOOH"	66.980151
"111927"	338.112402	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+2Cl"	69.938804
"556597"	489.683902	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+2Cl"	69.938804
"1023572"	186.540902	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2Cl"	69.938804
"1250080"	382.061885	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Br"	78.918885
"1306333"	384.117872	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Cl+HCOOH"	80.974872
"1322006"	406.099829	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Cl+NaCOOH"	102.956829
"913428"	416.128586	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M-H+CF3COOH"	112.985586
"1291598"	452.105264	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Cl+CF3COOH"	148.962264
"1367569"	268.130324	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H-2H2O"	-35.012676
"1394552"	286.1403	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H-H2O"	-17.0027
"291322"	607.293276	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+H"	1.007276
"684836"	910.436276	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+H"	1.007276
"1355353"	304.150276	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H"	1.007276
"130428"	304.150276	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+2H"	2.014552
"571082"	455.721776	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+2H"	2.014552
"1043165"	152.578776	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2H"	2.014552
"207057"	203.102609333333	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+3H"	3.021828
"651722"	304.150276	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+3H"	3.021828
"1176415"	102.054942666667	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+3H"	3.021828
"436402"	624.319823	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+NH4"	18.033823
"795213"	927.462823	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+NH4"	18.033823
"1690451"	321.176823	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+NH4"	18.033823
"339824"	312.6635495	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+H+NH4"	19.041099
"734430"	464.2350495	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+H+NH4"	19.041099
"1486063"	161.0920495	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H+NH4"	19.041099
"395266"	629.275218	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+Na"	22.989218
"759180"	932.418218	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+Na"	22.989218
"1608372"	326.132218	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Na"	22.989218
"319500"	315.141247	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+H+Na"	23.996494
"710832"	466.712747	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+H+Na"	23.996494
"1470118"	163.569747	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H+Na"	23.996494
"1065549"	109.382256666667	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2H+Na"	25.00377
"1270145"	336.176486	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+CH3OH+H"	33.033486
"390180"	645.249158	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+K"	38.963158
"751902"	948.392158	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+K"	38.963158
"1553956"	342.106158	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+K"	38.963158
"309309"	323.128217	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+H+K"	39.970434
"699543"	474.699717	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+H+K"	39.970434
"1454457"	171.556717	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H+K"	39.970434
"250350"	648.319826	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+ACN+H"	42.033826
"1223424"	345.176826	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+ACN+H"	42.033826
"1206214"	173.092051	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+ACN+2H"	43.041102
"203338"	651.25716	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+2Na-H"	44.97116
"638651"	954.40016	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+2Na-H"	44.97116
"1139970"	348.11416	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2Na-H"	44.97116
"179979"	326.132218	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+2Na"	45.978436
"620634"	477.703718	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+2Na"	45.978436
"1124140"	174.560718	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2Na"	45.978436
"1408756"	116.709570666667	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H+2Na"	46.985712
"1440872"	350.155746	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H+HCOOH"	47.012746
"233484"	331.16524	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+3H2O+2H"	56.04448
"1521183"	364.20779	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+IsoProp+H"	61.06479
"420871"	334.119188	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+Na+K"	61.952376
"778217"	485.690688	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+Na+K"	61.952376
"1676007"	182.547688	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Na+K"	61.952376
"257056"	670.301768	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+ACN+Na"	64.015768
"1230495"	367.158768	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+ACN+Na"	64.015768
"1720471"	367.182293	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+NH4+HCOOH"	64.039293
"1185826"	124.036884666667	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+3Na"	68.967654
"1657905"	372.137688	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Na+HCOOH"	68.994688
"161486"	683.20504	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+2K-H"	76.91904
"605422"	986.34804	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+2K-H"	76.91904
"1085683"	380.06204	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2K-H"	76.91904
"150040"	342.106158	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"2M+2K"	77.926316
"585231"	493.677658	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"3M+2K"	77.926316
"1076306"	190.534658	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2K"	77.926316
"1108421"	382.076592	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2K+H"	78.933592
"1348085"	382.164207	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+DMSO+H"	79.021207
"1013337"	386.203376	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2ACN+H"	83.060376
"1530367"	387.197008	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+IsoProp+Na+H"	84.054008
"996816"	193.605326	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+2ACN+2H"	84.067652
"1592413"	388.111628	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+K+HCOOH"	84.968628
"1420259"	418.143138	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+H+CF3COOH"	115.000138
"1162221"	214.118601	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+3ACN+2H"	125.094202
"1709949"	435.169685	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+NH4+CF3COOH"	132.026685
"1646692"	440.12508	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+Na+CF3COOH"	136.98208
"1572501"	456.09902	"C05324"	"Nicotianamine"	"C12H21N3O6"	"303.143"	"M+K+CF3COOH"	152.95602
"815627"	332.0522	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M"	0
"984055"	313.03381	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-H2O-H"	-19.01839
"66832"	220.360857333333	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M-3H"	-3.021828
"516232"	331.044924	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M-3H"	-3.021828
"892576"	109.676790666667	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-3H"	-3.021828
"13339"	331.044924	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M-2H"	-2.014552
"443424"	497.071024	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M-2H"	-2.014552
"826695"	165.018824	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-2H"	-2.014552
"83407"	663.097124	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M-H"	-1.007276
"525153"	995.149324	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M-H"	-1.007276
"901867"	331.044924	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-H"	-1.007276
"55146"	680.123671	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M-2H+NH4"	16.019271
"491425"	1012.175871	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M-2H+NH4"	16.019271
"869226"	348.071471	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-2H+NH4"	16.019271
"35301"	685.079066	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M-2H+Na"	20.974666
"474861"	1017.131266	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M-2H+Na"	20.974666
"853755"	353.026866	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-2H+Na"	20.974666
"1623288"	353.026866	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Na-2H"	20.974666
"100545"	349.033263	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M-H+Cl"	33.962126
"535855"	515.059363	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M-H+Cl"	33.962126
"934723"	183.007163	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-H+Cl"	33.962126
"268907"	699.073802	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+Cl"	34.969402
"664608"	1031.126002	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+Cl"	34.969402
"1274827"	367.021602	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Cl"	34.969402
"21755"	701.053006	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M-2H+K"	36.948606
"456455"	1033.105206	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M-2H+K"	36.948606
"835107"	369.000806	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-2H+K"	36.948606
"1556289"	369.000806	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+K-2H"	36.948606
"946118"	377.050394	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-H+HCOOH"	44.998194
"362512"	709.102601	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+HCOOH-H"	44.998201
"352595"	723.118251	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+Hac-H"	59.013851
"1500697"	391.066051	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Hac-H"	59.013851
"966781"	399.032351	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-H+NaCOOH"	66.980151
"110946"	367.021602	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+2Cl"	69.938804
"556707"	533.047702	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+2Cl"	69.938804
"1023682"	200.995502	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2Cl"	69.938804
"1249094"	410.971085	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Br"	78.918885
"1306441"	413.027072	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Cl+HCOOH"	80.974872
"1325032"	435.009029	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Cl+NaCOOH"	102.956829
"915726"	445.037786	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M-H+CF3COOH"	112.985586
"1289151"	481.014464	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Cl+CF3COOH"	148.962264
"1367434"	297.039524	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H-2H2O"	-35.012676
"1383717"	315.0495	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H-H2O"	-17.0027
"289973"	665.111676	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+H"	1.007276
"684946"	997.163876	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+H"	1.007276
"1355463"	333.059476	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H"	1.007276
"128351"	333.059476	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+2H"	2.014552
"571192"	499.085576	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+2H"	2.014552
"1041088"	167.033376	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2H"	2.014552
"206803"	222.375409333333	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+3H"	3.021828
"649646"	333.059476	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+3H"	3.021828
"1174337"	111.691342666667	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+3H"	3.021828
"436512"	682.138223	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+NH4"	18.033823
"797509"	1014.190423	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+NH4"	18.033823
"1690559"	350.086023	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+NH4"	18.033823
"338835"	341.5727495	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+H+NH4"	19.041099
"726884"	507.5988495	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+H+NH4"	19.041099
"1485080"	175.5466495	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H+NH4"	19.041099
"396107"	687.093618	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+Na"	22.989218
"757103"	1019.145818	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+Na"	22.989218
"1608481"	355.041418	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Na"	22.989218
"318881"	344.050447	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+H+Na"	23.996494
"717502"	510.076547	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+H+Na"	23.996494
"1470227"	178.024347	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H+Na"	23.996494
"1064566"	119.018656666667	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2H+Na"	25.00377
"1270623"	365.085686	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+CH3OH+H"	33.033486
"392112"	703.067558	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+K"	38.963158
"750919"	1035.119758	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+K"	38.963158
"1550784"	371.015358	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+K"	38.963158
"309419"	352.037417	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+H+K"	39.970434
"699653"	518.063517	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+H+K"	39.970434
"1454567"	186.011317	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H+K"	39.970434
"250100"	706.138226	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+ACN+H"	42.033826
"1222077"	374.086026	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+ACN+H"	42.033826
"1205231"	187.546651	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+ACN+2H"	43.041102
"202113"	709.07556	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+2Na-H"	44.97116
"639857"	1041.12776	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+2Na-H"	44.97116
"1143360"	377.02336	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2Na-H"	44.97116
"182276"	355.041418	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+2Na"	45.978436
"624753"	521.067518	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+2Na"	45.978436
"1125344"	189.015318	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2Na"	45.978436
"1407773"	126.345970666667	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H+2Na"	46.985712
"1441711"	379.064946	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H+HCOOH"	47.012746
"233230"	360.07444	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+3H2O+2H"	56.04448
"1520929"	393.11699	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+IsoProp+H"	61.06479
"421345"	363.028388	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+Na+K"	61.952376
"778327"	529.054488	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+Na+K"	61.952376
"1672472"	197.002288	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Na+K"	61.952376
"257897"	728.120168	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+ACN+Na"	64.015768
"1236073"	396.067968	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+ACN+Na"	64.015768
"1720584"	396.091493	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+NH4+HCOOH"	64.039293
"1185938"	133.673284666667	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+3Na"	68.967654
"1660203"	401.046888	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Na+HCOOH"	68.994688
"161596"	741.02344	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+2K-H"	76.91904
"605532"	1073.07564	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+2K-H"	76.91904
"1088223"	408.97124	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2K-H"	76.91904
"153430"	371.015358	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"2M+2K"	77.926316
"591902"	537.041458	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"3M+2K"	77.926316
"1079696"	204.989258	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2K"	77.926316
"1105251"	410.985792	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2K+H"	78.933592
"1344915"	411.073407	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+DMSO+H"	79.021207
"1015634"	415.112576	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2ACN+H"	83.060376
"1530477"	416.106208	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+IsoProp+Na+H"	84.054008
"994010"	208.059926	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+2ACN+2H"	84.067652
"1593615"	417.020828	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+K+HCOOH"	84.968628
"1423649"	447.052338	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+H+CF3COOH"	115.000138
"1161602"	228.573201	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+3ACN+2H"	125.094202
"1707873"	464.078885	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+NH4+CF3COOH"	132.026685
"1644615"	469.03428	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+Na+CF3COOH"	136.98208
"1576986"	485.00822	"C05325"	"Purine mononucleotide"	"C10H13N4O7P"	"332.0522"	"M+K+CF3COOH"	152.95602
"813914"	128.095	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M"	0
"980887"	109.07661	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H2O-H"	-19.01839
"70222"	84.3893906666667	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-3H"	-3.021828
"513062"	127.087724	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-3H"	-3.021828
"891229"	41.6910573333333	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-3H"	-3.021828
"8351"	127.087724	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H"	-2.014552
"451193"	191.135224	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H"	-2.014552
"822432"	63.040224	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H"	-2.014552
"82423"	255.182724	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-H"	-1.007276
"521988"	383.277724	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-H"	-1.007276
"900882"	127.087724	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H"	-1.007276
"49059"	272.209271	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H+NH4"	16.019271
"490440"	400.304271	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H+NH4"	16.019271
"870430"	144.114271	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H+NH4"	16.019271
"34319"	277.164666	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H+Na"	20.974666
"476063"	405.259666	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H+Na"	20.974666
"856779"	149.069666	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H+Na"	20.974666
"1623033"	149.069666	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na-2H"	20.974666
"98475"	145.076063	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-H+Cl"	33.962126
"546789"	209.123563	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-H+Cl"	33.962126
"933742"	81.028563	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+Cl"	33.962126
"274486"	291.159402	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Cl"	34.969402
"664722"	419.254402	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+Cl"	34.969402
"1281498"	163.064402	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl"	34.969402
"21867"	293.138606	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M-2H+K"	36.948606
"459241"	421.233606	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M-2H+K"	36.948606
"843607"	165.043606	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-2H+K"	36.948606
"1563814"	165.043606	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K-2H"	36.948606
"945504"	173.093194	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+HCOOH"	44.998194
"369918"	301.188201	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+HCOOH-H"	44.998201
"351614"	315.203851	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Hac-H"	59.013851
"1496434"	187.108851	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Hac-H"	59.013851
"963976"	195.075151	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+NaCOOH"	66.980151
"117987"	163.064402	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2Cl"	69.938804
"554629"	227.111902	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2Cl"	69.938804
"1025616"	99.016902	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2Cl"	69.938804
"1244832"	207.013885	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Br"	78.918885
"1310562"	209.069872	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl+HCOOH"	80.974872
"1320640"	231.051829	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl+NaCOOH"	102.956829
"912923"	241.080586	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M-H+CF3COOH"	112.985586
"1294736"	277.057264	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Cl+CF3COOH"	148.962264
"1368156"	93.082324	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H-2H2O"	-35.012676
"1388209"	111.0923	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H-H2O"	-17.0027
"286804"	257.197276	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H"	1.007276
"680317"	385.292276	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H"	1.007276
"1355573"	129.102276	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H"	1.007276
"128461"	129.102276	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2H"	2.014552
"577504"	193.149776	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2H"	2.014552
"1049222"	65.054776	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2H"	2.014552
"218583"	86.4039426666667	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+3H"	3.021828
"655226"	129.102276	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+3H"	3.021828
"1174447"	43.7056093333333	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+3H"	3.021828
"434439"	274.223823	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+NH4"	18.033823
"795431"	402.318823	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+NH4"	18.033823
"1690670"	146.128823	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+NH4"	18.033823
"335667"	137.6155495	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H+NH4"	19.041099
"726993"	201.6630495	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H+NH4"	19.041099
"1479361"	73.5680495	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+NH4"	19.041099
"394760"	279.179218	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Na"	22.989218
"757943"	407.274218	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+Na"	22.989218
"1605312"	151.084218	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na"	22.989218
"317900"	140.093247	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H+Na"	23.996494
"709591"	204.140747	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H+Na"	23.996494
"1467786"	76.045747	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+Na"	23.996494
"1063584"	51.0329233333333	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2H+Na"	25.00377
"1263078"	161.128486	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+CH3OH+H"	33.033486
"389306"	295.153158	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+K"	38.963158
"753218"	423.248158	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+K"	38.963158
"1552354"	167.058158	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K"	38.963158
"310622"	148.080217	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+H+K"	39.970434
"699764"	212.127717	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+H+K"	39.970434
"1454677"	84.032717	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+K"	39.970434
"248746"	298.223826	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+ACN+H"	42.033826
"1220362"	170.128826	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+ACN+H"	42.033826
"1207161"	85.568051	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+ACN+2H"	43.041102
"201137"	301.16116	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2Na-H"	44.97116
"639966"	429.25616	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2Na-H"	44.97116
"1141284"	173.06616	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2Na-H"	44.97116
"182387"	151.084218	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2Na"	45.978436
"620855"	215.131718	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2Na"	45.978436
"1119987"	87.036718	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2Na"	45.978436
"1407884"	58.3602373333333	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+2Na"	46.985712
"1439635"	175.107746	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+HCOOH"	47.012746
"232249"	156.11724	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+3H2O+2H"	56.04448
"1519583"	189.15979	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+IsoProp+H"	61.06479
"422915"	159.071188	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+Na+K"	61.952376
"781355"	223.118688	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+Na+K"	61.952376
"1674769"	95.023688	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na+K"	61.952376
"260196"	320.205768	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+ACN+Na"	64.015768
"1236184"	192.110768	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+ACN+Na"	64.015768
"1717416"	192.134293	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+NH4+HCOOH"	64.039293
"1184955"	65.6875513333333	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+3Na"	68.967654
"1655940"	197.089688	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na+HCOOH"	68.994688
"161709"	333.10904	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2K-H"	76.91904
"605648"	461.20404	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2K-H"	76.91904
"1091258"	205.01404	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2K-H"	76.91904
"153548"	167.058158	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"2M+2K"	77.926316
"593108"	231.105658	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"3M+2K"	77.926316
"1080901"	103.010658	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2K"	77.926316
"1111923"	207.028592	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2K+H"	78.933592
"1347216"	207.116207	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+DMSO+H"	79.021207
"1015745"	211.155376	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2ACN+H"	83.060376
"1528403"	212.149008	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+IsoProp+Na+H"	84.054008
"992663"	106.081326	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+2ACN+2H"	84.067652
"1592633"	213.063628	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K+HCOOH"	84.968628
"1415381"	243.095138	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+H+CF3COOH"	115.000138
"1154055"	126.594601	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+3ACN+2H"	125.094202
"1711265"	260.121685	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+NH4+CF3COOH"	132.026685
"1646915"	265.07708	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+Na+CF3COOH"	136.98208
"1583658"	281.05102	"C05328"	"D-2-Aminohexano-6-lactam;(R)-2-Aminohexano-6-lactam"	"C6H12N2O"	"128.095"	"M+K+CF3COOH"	152.95602
"804186"	135.0354	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M"	0
"974548"	116.01701	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-H2O-H"	-19.01839
"63322"	89.016324	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M-3H"	-3.021828
"505519"	134.028124	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M-3H"	-3.021828
"889889"	44.004524	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-3H"	-3.021828
"6275"	134.028124	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M-2H"	-2.014552
"443647"	201.545824	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M-2H"	-2.014552
"819262"	66.510424	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-2H"	-2.014552
"79011"	269.063524	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M-H"	-1.007276
"518807"	404.098924	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M-H"	-1.007276
"896617"	134.028124	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-H"	-1.007276
"48554"	286.090071	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M-2H+NH4"	16.019271
"488358"	421.125471	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M-2H+NH4"	16.019271
"865432"	151.054671	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-2H+NH4"	16.019271
"33088"	291.045466	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M-2H+Na"	20.974666
"473255"	426.080866	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M-2H+Na"	20.974666
"849598"	156.010066	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-2H+Na"	20.974666
"1618617"	156.010066	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Na-2H"	20.974666
"99686"	152.016463	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M-H+Cl"	33.962126
"537060"	219.534163	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M-H+Cl"	33.962126
"933854"	84.498763	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-H+Cl"	33.962126
"271319"	305.040202	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+Cl"	34.969402
"664833"	440.075602	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+Cl"	34.969402
"1276141"	170.004802	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Cl"	34.969402
"18700"	307.019406	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M-2H+K"	36.948606
"455703"	442.054806	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M-2H+K"	36.948606
"832982"	171.984006	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-2H+K"	36.948606
"1558096"	171.984006	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+K-2H"	36.948606
"948532"	180.033594	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-H+HCOOH"	44.998194
"363830"	315.069001	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+HCOOH-H"	44.998201
"348444"	329.084651	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+Hac-H"	59.013851
"1493989"	194.049251	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Hac-H"	59.013851
"959470"	202.015551	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-H+NaCOOH"	66.980151
"110220"	170.004802	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+2Cl"	69.938804
"550365"	237.522502	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+2Cl"	69.938804
"1021471"	102.487102	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2Cl"	69.938804
"1242063"	213.954285	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Br"	78.918885
"1306302"	216.010272	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Cl+HCOOH"	80.974872
"1324893"	237.992229	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Cl+NaCOOH"	102.956829
"919234"	248.020986	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M-H+CF3COOH"	112.985586
"1297034"	283.997664	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Cl+CF3COOH"	148.962264
"1379937"	100.022724	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H-2H2O"	-35.012676
"1388319"	118.0327	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H-H2O"	-17.0027
"284362"	271.078076	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+H"	1.007276
"680427"	406.113476	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+H"	1.007276
"1355685"	136.042676	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H"	1.007276
"139150"	136.042676	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+2H"	2.014552
"580534"	203.560376	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+2H"	2.014552
"1047878"	68.524976	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2H"	2.014552
"216869"	91.030876	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+3H"	3.021828
"655338"	136.042676	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+3H"	3.021828
"1174556"	46.019076	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+3H"	3.021828
"430178"	288.104623	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+NH4"	18.033823
"794454"	423.140023	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+NH4"	18.033823
"1690781"	153.069223	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+NH4"	18.033823
"335777"	144.5559495	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+H+NH4"	19.041099
"723094"	212.0736495	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+H+NH4"	19.041099
"1478132"	77.0382495	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H+NH4"	19.041099
"398516"	293.060018	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+Na"	22.989218
"756959"	428.095418	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+Na"	22.989218
"1606516"	158.024618	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Na"	22.989218
"318010"	147.033647	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+H+Na"	23.996494
"708973"	214.551347	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+H+Na"	23.996494
"1461572"	79.515947	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H+Na"	23.996494
"1054578"	53.34639	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2H+Na"	25.00377
"1264277"	168.068886	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+CH3OH+H"	33.033486
"381760"	309.033958	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+K"	38.963158
"744943"	444.069358	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+K"	38.963158
"1549182"	173.998558	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+K"	38.963158
"303081"	155.020617	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+H+K"	39.970434
"694042"	222.538317	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+H+K"	39.970434
"1451508"	87.502917	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H+K"	39.970434
"242298"	312.104626	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+ACN+H"	42.033826
"1217191"	177.069226	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+ACN+H"	42.033826
"1196709"	89.038251	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+ACN+2H"	43.041102
"196142"	315.04196	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+2Na-H"	44.97116
"633514"	450.07736	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+2Na-H"	44.97116
"1131746"	180.00656	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2Na-H"	44.97116
"174113"	158.024618	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+2Na"	45.978436
"615617"	225.542318	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+2Na"	45.978436
"1118151"	90.506918	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2Na"	45.978436
"1400459"	60.673704	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H+2Na"	46.985712
"1432456"	182.048146	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H+HCOOH"	47.012746
"222273"	163.05764	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+3H2O+2H"	56.04448
"1518598"	196.10019	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+IsoProp+H"	61.06479
"418283"	166.011588	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+Na+K"	61.952376
"779642"	233.529288	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+Na+K"	61.952376
"1669412"	98.493888	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Na+K"	61.952376
"258116"	334.086568	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+ACN+Na"	64.015768
"1226813"	199.051168	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+ACN+Na"	64.015768
"1713877"	199.074693	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+NH4+HCOOH"	64.039293
"1181784"	68.001018	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+3Na"	68.967654
"1654957"	204.030088	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Na+HCOOH"	68.994688
"165107"	346.98984	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+2K-H"	76.91904
"600298"	482.02524	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+2K-H"	76.91904
"1092469"	211.95444	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2K-H"	76.91904
"148193"	173.998558	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"2M+2K"	77.926316
"591034"	241.516258	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"3M+2K"	77.926316
"1076639"	106.480858	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2K"	77.926316
"1106570"	213.968992	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2K+H"	78.933592
"1344048"	214.056607	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+DMSO+H"	79.021207
"1011484"	218.095776	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2ACN+H"	83.060376
"1528515"	219.089408	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+IsoProp+Na+H"	84.054008
"991682"	109.551526	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+2ACN+2H"	84.067652
"1591656"	220.004028	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+K+HCOOH"	84.968628
"1414561"	250.035538	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+H+CF3COOH"	115.000138
"1159638"	130.064801	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+3ACN+2H"	125.094202
"1707000"	267.062085	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+NH4+CF3COOH"	132.026685
"1639369"	272.01748	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+Na+CF3COOH"	136.98208
"1571414"	287.99142	"C05330"	"Homocysteine;2-Amino-4-mercaptobutyric acid"	"C4H9NO2S"	"135.0354"	"M+K+CF3COOH"	152.95602
"804296"	121.0891	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M"	0
"975640"	102.07071	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-H2O-H"	-19.01839
"64976"	79.7187906666667	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M-3H"	-3.021828
"507816"	120.081824	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M-3H"	-3.021828
"893279"	39.3557573333333	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-3H"	-3.021828
"7478"	120.081824	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M-2H"	-2.014552
"443756"	180.626374	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M-2H"	-2.014552
"819372"	59.537274	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-2H"	-2.014552
"79730"	241.170924	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M-H"	-1.007276
"519404"	362.260024	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M-H"	-1.007276
"897091"	120.081824	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-H"	-1.007276
"49634"	258.197471	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M-2H+NH4"	16.019271
"488954"	379.286571	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M-2H+NH4"	16.019271
"865662"	137.108371	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-2H+NH4"	16.019271
"32835"	263.152866	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M-2H+Na"	20.974666
"474820"	384.241966	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M-2H+Na"	20.974666
"850799"	142.063766	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-2H+Na"	20.974666
"1619727"	142.063766	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Na-2H"	20.974666
"99796"	138.070163	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M-H+Cl"	33.962126
"543728"	198.614713	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M-H+Cl"	33.962126
"933964"	77.525613	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-H+Cl"	33.962126
"271429"	277.147602	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+Cl"	34.969402
"664943"	398.236702	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+Cl"	34.969402
"1277344"	156.058502	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Cl"	34.969402
"19174"	279.126806	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M-2H+K"	36.948606
"456545"	400.215906	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M-2H+K"	36.948606
"835808"	158.037706	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-2H+K"	36.948606
"1557112"	158.037706	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+K-2H"	36.948606
"948642"	166.087294	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-H+HCOOH"	44.998194
"363939"	287.176401	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+HCOOH-H"	44.998201
"348552"	301.192051	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+Hac-H"	59.013851
"1494464"	180.102951	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Hac-H"	59.013851
"960187"	188.069251	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-H+NaCOOH"	66.980151
"110913"	156.058502	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+2Cl"	69.938804
"550595"	216.603052	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+2Cl"	69.938804
"1021394"	95.513952	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2Cl"	69.938804
"1241526"	200.007985	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Br"	78.918885
"1304585"	202.063972	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Cl+HCOOH"	80.974872
"1325003"	224.045929	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Cl+NaCOOH"	102.956829
"917157"	234.074686	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M-H+CF3COOH"	112.985586
"1296051"	270.051364	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Cl+CF3COOH"	148.962264
"1368013"	86.076424	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H-2H2O"	-35.012676
"1391709"	104.0864	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H-H2O"	-17.0027
"284108"	243.185476	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+H"	1.007276
"679444"	364.274576	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+H"	1.007276
"1355795"	122.096376	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H"	1.007276
"140843"	122.096376	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+2H"	2.014552
"579915"	182.640926	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+2H"	2.014552
"1050902"	61.551826	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2H"	2.014552
"216982"	81.7333426666667	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+3H"	3.021828
"656541"	122.096376	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+3H"	3.021828
"1173574"	41.3703093333333	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+3H"	3.021828
"433567"	260.212023	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+NH4"	18.033823
"792741"	381.301123	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+NH4"	18.033823
"1691984"	139.122923	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+NH4"	18.033823
"339166"	130.6096495	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+H+NH4"	19.041099
"723448"	191.1541995	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+H+NH4"	19.041099
"1477755"	70.0650995	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H+NH4"	19.041099
"397168"	265.167418	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+Na"	22.989218
"757070"	386.256518	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+Na"	22.989218
"1606625"	144.078318	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Na"	22.989218
"318484"	133.087347	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+H+Na"	23.996494
"710542"	193.631897	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+H+Na"	23.996494
"1463266"	72.542797	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H+Na"	23.996494
"1053229"	48.6976233333333	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2H+Na"	25.00377
"1263294"	154.122586	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+CH3OH+H"	33.033486
"380411"	281.141358	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+K"	38.963158
"742866"	402.230458	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+K"	38.963158
"1551479"	160.052258	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+K"	38.963158
"301368"	141.074317	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+H+K"	39.970434
"692329"	201.618867	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+H+K"	39.970434
"1449431"	80.529767	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H+K"	39.970434
"245687"	284.212026	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+ACN+H"	42.033826
"1215115"	163.122926	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+ACN+H"	42.033826
"1199006"	82.065101	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+ACN+2H"	43.041102
"195158"	287.14936	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+2Na-H"	44.97116
"634719"	408.23846	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+2Na-H"	44.97116
"1137131"	166.06026	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2Na-H"	44.97116
"177140"	144.078318	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+2Na"	45.978436
"619980"	204.622868	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+2Na"	45.978436
"1117289"	83.533768	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2Na"	45.978436
"1403730"	56.0249373333333	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H+2Na"	46.985712
"1432566"	168.101846	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H+HCOOH"	47.012746
"222262"	149.11134	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+3H2O+2H"	56.04448
"1514697"	182.15389	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+IsoProp+H"	61.06479
"417663"	152.065288	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+Na+K"	61.952376
"777566"	212.609838	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+Na+K"	61.952376
"1666241"	91.520738	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Na+K"	61.952376
"256040"	306.193968	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+ACN+Na"	64.015768
"1228745"	185.104868	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+ACN+Na"	64.015768
"1714353"	185.128393	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+NH4+HCOOH"	64.039293
"1181894"	63.3522513333333	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+3Na"	68.967654
"1655067"	190.083788	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Na+HCOOH"	68.994688
"171171"	319.09724	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+2K-H"	76.91904
"602595"	440.18634	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+2K-H"	76.91904
"1092574"	198.00814	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2K-H"	76.91904
"149396"	160.052258	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"2M+2K"	77.926316
"590050"	220.596808	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"3M+2K"	77.926316
"1076749"	99.507708	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2K"	77.926316
"1107773"	200.022692	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2K+H"	78.933592
"1347437"	200.110307	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+DMSO+H"	79.021207
"1012687"	204.149476	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2ACN+H"	83.060376
"1526438"	205.143108	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+IsoProp+Na+H"	84.054008
"991792"	102.578376	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+2ACN+2H"	84.067652
"1596140"	206.057728	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+K+HCOOH"	84.968628
"1414630"	236.089238	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+H+CF3COOH"	115.000138
"1159748"	123.091651	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+3ACN+2H"	125.094202
"1706016"	253.115785	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+NH4+CF3COOH"	132.026685
"1639479"	258.07118	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+Na+CF3COOH"	136.98208
"1571605"	274.04512	"C05332"	"Phenethylamine;2-Phenylethylamine;beta-Phenylethylamine;Phenylethylamine"	"C8H11N"	"121.0891"	"M+K+CF3COOH"	152.95602
"807687"	286.0841	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M"	0
"977939"	267.06571	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"63993"	189.715457333333	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"507927"	285.076824	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"891202"	94.3540906666667	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"6495"	285.076824	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"441679"	428.118874	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"819482"	142.034774	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"80081"	571.160924	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"519881"	857.245024	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"897196"	285.076824	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"50114"	588.187471	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"491861"	874.271571	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"868568"	302.103371	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"34767"	593.142866	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"474325"	879.226966	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"852735"	307.058766	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1620324"	307.058766	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"97715"	303.065163	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"537278"	446.107213	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"930791"	160.023113	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"271536"	607.137602	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"668331"	893.221702	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1278548"	321.053502	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"19284"	609.116806	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"457024"	895.200906	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"837377"	323.032706	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1556004"	323.032706	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"944374"	331.082294	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"362950"	617.166401	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"350121"	631.182051	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1493483"	345.097951	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"959682"	353.064251	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"110901"	321.053502	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"551680"	464.095552	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1023759"	178.011452	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1246255"	365.002985	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1304690"	367.058972	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1322552"	389.040929	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"913610"	399.069686	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1290684"	435.046364	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1369214"	251.071424	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1383069"	269.0814	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"286405"	573.175476	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"679554"	859.259576	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1355905"	287.091376	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"140957"	287.091376	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"581332"	430.133426	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1050647"	144.049326	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"218548"	191.730009333333	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"657379"	287.091376	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1174777"	96.3686426666667	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"434768"	590.202023	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"796857"	876.286123	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1693188"	304.117923	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"338183"	295.6046495	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"723680"	438.6466995	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1478595"	152.5625995	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"396914"	595.157418	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"757180"	881.241518	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1607100"	309.073318	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"317867"	298.082347	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"712475"	441.124397	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1468481"	155.040297	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1057352"	103.695956666667	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1261218"	319.117586	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"381980"	611.131358	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"741883"	897.215458	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1550496"	325.047258	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"301114"	306.069317	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"696814"	449.111367	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1453916"	163.027267	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"244705"	614.202026	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1218505"	328.117926	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1194732"	164.562601	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"189059"	617.13936	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"630696"	903.22346	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1132743"	331.05526	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"176155"	309.073318	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"615716"	452.115368	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1117034"	166.031268	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1402744"	111.023270666667	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1430971"	333.096846	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"226744"	314.10634	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1513712"	347.14889	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"413397"	317.060288	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"779859"	460.102338	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1671815"	174.018238	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"256146"	636.183968	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1231041"	350.099868	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1718834"	350.123393	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1180908"	118.350584666667	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1654081"	355.078788	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"171281"	649.08724	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"609262"	935.17134	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1091589"	363.00314	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"151693"	325.047258	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"592347"	468.089308	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1079046"	182.005208	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1107883"	365.017692	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1344267"	365.105307	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1016077"	369.144476	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1528735"	370.138108	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"992995"	185.075876	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1592969"	371.052728	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1424097"	401.084238	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1159859"	205.589151	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1710501"	418.110785	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1642870"	423.06618	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1575241"	439.04012	"C05334"	"Isosakuranetin;4-Methoxy-57-dihydroxyflavonone;4-Methylnaringenin"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"807797"	196.9955	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M"	0
"978049"	177.97711	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-H2O-H"	-19.01839
"65196"	130.323057333333	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M-3H"	-3.021828
"508036"	195.988224	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M-3H"	-3.021828
"892405"	64.6578906666667	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-3H"	-3.021828
"6605"	195.988224	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M-2H"	-2.014552
"445068"	294.485974	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M-2H"	-2.014552
"820688"	97.490474	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-2H"	-2.014552
"80191"	392.983724	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M-H"	-1.007276
"521331"	589.979224	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M-H"	-1.007276
"897310"	195.988224	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-H"	-1.007276
"50590"	410.010271	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M-2H+NH4"	16.019271
"491243"	607.005771	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M-2H+NH4"	16.019271
"869043"	213.014771	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-2H+NH4"	16.019271
"36944"	414.965666	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M-2H+Na"	20.974666
"476138"	611.961166	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M-2H+Na"	20.974666
"851387"	217.970166	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-2H+Na"	20.974666
"1621287"	217.970166	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Na-2H"	20.974666
"98918"	213.976563	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M-H+Cl"	33.962126
"543947"	312.474313	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M-H+Cl"	33.962126
"930901"	115.478813	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-H+Cl"	33.962126
"274926"	428.960402	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+Cl"	34.969402
"668440"	625.955902	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+Cl"	34.969402
"1285218"	231.964902	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Cl"	34.969402
"22310"	430.939606	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M-2H+K"	36.948606
"456644"	627.935106	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M-2H+K"	36.948606
"840767"	233.944106	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-2H+K"	36.948606
"1556515"	233.944106	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+K-2H"	36.948606
"947767"	241.993694	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-H+HCOOH"	44.998194
"363795"	438.989201	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+HCOOH-H"	44.998201
"348040"	453.004851	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+Hac-H"	59.013851
"1495045"	256.009351	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Hac-H"	59.013851
"960768"	263.975651	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-H+NaCOOH"	66.980151
"111498"	231.964902	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+2Cl"	69.938804
"552154"	330.462652	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+2Cl"	69.938804
"1026785"	133.467152	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2Cl"	69.938804
"1249645"	275.914385	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Br"	78.918885
"1306015"	277.970372	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Cl+HCOOH"	80.974872
"1323391"	299.952329	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Cl+NaCOOH"	102.956829
"915546"	309.981086	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M-H+CF3COOH"	112.985586
"1291526"	345.957764	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Cl+CF3COOH"	148.962264
"1372238"	161.982824	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H-2H2O"	-35.012676
"1384636"	179.9928	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H-H2O"	-17.0027
"292712"	394.998276	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+H"	1.007276
"682945"	591.993776	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+H"	1.007276
"1356015"	198.002776	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H"	1.007276
"141146"	198.002776	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+2H"	2.014552
"581264"	296.500526	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+2H"	2.014552
"1049299"	99.505026	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2H"	2.014552
"217929"	132.337609333333	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+3H"	3.021828
"657489"	198.002776	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+3H"	3.021828
"1175981"	66.6724426666667	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+3H"	3.021828
"432692"	412.024823	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+NH4"	18.033823
"795874"	609.020323	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+NH4"	18.033823
"1692205"	215.029323	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+NH4"	18.033823
"336107"	206.5160495	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+H+NH4"	19.041099
"723102"	305.0137995	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+H+NH4"	19.041099
"1479433"	108.0182995	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H+NH4"	19.041099
"394836"	416.980218	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+Na"	22.989218
"756561"	613.975718	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+Na"	22.989218
"1604660"	219.984718	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Na"	22.989218
"317977"	208.993747	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+H+Na"	23.996494
"712585"	307.491497	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+H+Na"	23.996494
"1466404"	110.495997	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H+Na"	23.996494
"1054303"	73.9997566666667	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2H+Na"	25.00377
"1258048"	230.028986	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+CH3OH+H"	33.033486
"380997"	432.954158	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+K"	38.963158
"739805"	629.949658	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+K"	38.963158
"1547326"	235.958658	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+K"	38.963158
"302317"	216.980717	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+H+K"	39.970434
"700204"	315.478467	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+H+K"	39.970434
"1455119"	118.482967	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H+K"	39.970434
"247002"	436.024826	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+ACN+H"	42.033826
"1222625"	239.029326	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+ACN+H"	42.033826
"1194806"	120.018301	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+ACN+2H"	43.041102
"190272"	438.96216	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+2Na-H"	44.97116
"631658"	635.95766	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+2Na-H"	44.97116
"1136255"	241.96666	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2Na-H"	44.97116
"181732"	219.984718	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+2Na"	45.978436
"620198"	318.482468	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+2Na"	45.978436
"1122610"	121.486968	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2Na"	45.978436
"1407228"	81.3270706666667	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H+2Na"	46.985712
"1434969"	244.008246	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H+HCOOH"	47.012746
"229041"	225.01774	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+3H2O+2H"	56.04448
"1513821"	258.06029	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+IsoProp+H"	61.06479
"421161"	227.971688	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+Na+K"	61.952376
"784342"	326.469438	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+Na+K"	61.952376
"1674111"	129.473938	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Na+K"	61.952376
"262818"	458.006768	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+ACN+Na"	64.015768
"1238806"	261.011268	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+ACN+Na"	64.015768
"1721132"	261.034793	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+NH4+HCOOH"	64.039293
"1188673"	88.6543846666667	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+3Na"	68.967654
"1662939"	265.990188	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Na+HCOOH"	68.994688
"159966"	470.91004	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+2K-H"	76.91904
"612719"	667.90554	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+2K-H"	76.91904
"1097166"	273.91454	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2K-H"	76.91904
"150708"	235.958658	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"2M+2K"	77.926316
"592454"	334.456408	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"3M+2K"	77.926316
"1075876"	137.460908	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2K"	77.926316
"1107991"	275.929092	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2K+H"	78.933592
"1346562"	276.016707	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+DMSO+H"	79.021207
"1015095"	280.055876	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2ACN+H"	83.060376
"1528845"	281.049508	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+IsoProp+Na+H"	84.054008
"996387"	140.531576	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+2ACN+2H"	84.067652
"1593079"	281.964128	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+K+HCOOH"	84.968628
"1414599"	311.995638	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+H+CF3COOH"	115.000138
"1158875"	161.044851	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+3ACN+2H"	125.094202
"1706236"	329.022185	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+NH4+CF3COOH"	132.026685
"1638606"	333.97758	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+Na+CF3COOH"	136.98208
"1575351"	349.95152	"C05335"	"L-Selenomethionine"	"C5H11NO2Se"	"196.9955"	"M+K+CF3COOH"	152.95602
"814467"	1141.3973	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M"	0
"987998"	1122.37891	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H2O-H"	-19.01839
"76968"	759.924257333333	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-3H"	-3.021828
"513620"	1140.390024	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-3H"	-3.021828
"882673"	379.458490666667	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-3H"	-3.021828
"6710"	1140.390024	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H"	-2.014552
"443358"	1711.088674	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H"	-2.014552
"820799"	569.691374	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H"	-2.014552
"80424"	2281.787324	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-H"	-1.007276
"520593"	3423.184624	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-H"	-1.007276
"900336"	1140.390024	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H"	-1.007276
"49609"	2298.813871	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+NH4"	16.019271
"489895"	3440.211171	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+NH4"	16.019271
"866363"	1157.416571	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+NH4"	16.019271
"35599"	2303.769266	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+Na"	20.974666
"472729"	3445.166566	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+Na"	20.974666
"851870"	1162.371966	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+Na"	20.974666
"1619826"	1162.371966	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na-2H"	20.974666
"103407"	1158.378363	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-H+Cl"	33.962126
"544059"	1729.077013	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-H+Cl"	33.962126
"938669"	587.679713	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+Cl"	33.962126
"276133"	2317.764002	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Cl"	34.969402
"665273"	3459.161302	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Cl"	34.969402
"1276584"	1176.366702	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl"	34.969402
"17318"	2319.743206	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+K"	36.948606
"459432"	3461.140506	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+K"	36.948606
"837601"	1178.345906	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+K"	36.948606
"1561090"	1178.345906	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K-2H"	36.948606
"948973"	1186.395494	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+HCOOH"	44.998194
"368281"	2327.792801	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+HCOOH-H"	44.998201
"347057"	2341.808451	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Hac-H"	59.013851
"1493700"	1200.411151	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Hac-H"	59.013851
"960149"	1208.377451	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+NaCOOH"	66.980151
"111612"	1176.366702	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Cl"	69.938804
"550807"	1747.065352	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Cl"	69.938804
"1025075"	605.668052	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Cl"	69.938804
"1245016"	1220.316185	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Br"	78.918885
"1307828"	1222.372172	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+HCOOH"	80.974872
"1323141"	1244.354129	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+NaCOOH"	102.956829
"915292"	1254.382886	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+CF3COOH"	112.985586
"1294188"	1290.359564	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+CF3COOH"	148.962264
"1372350"	1106.384624	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H-2H2O"	-35.012676
"1389848"	1124.3946	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H-H2O"	-17.0027
"289539"	2283.801876	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H"	1.007276
"687432"	3425.199176	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H"	1.007276
"1364879"	1142.404576	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H"	1.007276
"137769"	1142.404576	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2H"	2.014552
"578423"	1713.103226	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2H"	2.014552
"1050503"	571.705926	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2H"	2.014552
"215123"	761.938809333333	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+3H"	3.021828
"653593"	1142.404576	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+3H"	3.021828
"1173904"	381.473042666667	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3H"	3.021828
"432804"	2300.828423	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+NH4"	18.033823
"795984"	3442.225723	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+NH4"	18.033823
"1690129"	1159.431123	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4"	18.033823
"337313"	1150.9178495	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+NH4"	19.041099
"727550"	1721.6164995	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+NH4"	19.041099
"1480639"	580.2191995	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+NH4"	19.041099
"397132"	2305.783818	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Na"	22.989218
"758124"	3447.181118	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Na"	22.989218
"1606224"	1164.386518	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na"	22.989218
"320272"	1153.395547	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+Na"	23.996494
"711601"	1724.094197	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+Na"	23.996494
"1468700"	582.696897	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+Na"	23.996494
"1058665"	388.800356666667	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2H+Na"	25.00377
"1263623"	1174.430786	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+CH3OH+H"	33.033486
"384387"	2321.757758	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+K"	38.963158
"745384"	3463.155058	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+K"	38.963158
"1540878"	1180.360458	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K"	38.963158
"306801"	1161.382517	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+K"	39.970434
"702501"	1732.081167	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+K"	39.970434
"1456325"	590.683867	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+K"	39.970434
"248206"	2324.828426	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+ACN+H"	42.033826
"1213268"	1183.431126	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+H"	42.033826
"1195083"	592.219201	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+2H"	43.041102
"190020"	2327.76576	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Na-H"	44.97116
"630676"	3469.16306	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Na-H"	44.97116
"1138553"	1186.36846	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Na-H"	44.97116
"184029"	1164.386518	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Na"	45.978436
"622495"	1735.085168	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Na"	45.978436
"1123816"	593.687868	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Na"	45.978436
"1402962"	396.127670666667	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+2Na"	46.985712
"1439453"	1188.410046	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+HCOOH"	47.012746
"229152"	1169.41954	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+3H2O+2H"	56.04448
"1518306"	1202.46209	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+IsoProp+H"	61.06479
"420179"	1172.373488	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Na+K"	61.952376
"783361"	1743.072138	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Na+K"	61.952376
"1673132"	601.674838	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+K"	61.952376
"259652"	2346.810368	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+ACN+Na"	64.015768
"1235637"	1205.413068	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+Na"	64.015768
"1721244"	1205.436593	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4+HCOOH"	64.039293
"1184410"	403.454984666667	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3Na"	68.967654
"1657592"	1210.391988	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+HCOOH"	68.994688
"172725"	2359.71364	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2K-H"	76.91904
"610577"	3501.11094	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2K-H"	76.91904
"1097282"	1218.31634	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K-H"	76.91904
"155801"	1180.360458	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2K"	77.926316
"592566"	1751.059108	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2K"	77.926316
"1080360"	609.661808	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K"	77.926316
"1108102"	1220.330892	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K+H"	78.933592
"1346673"	1220.418507	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+DMSO+H"	79.021207
"1014110"	1224.457676	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2ACN+H"	83.060376
"1526038"	1225.451308	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+IsoProp+Na+H"	84.054008
"996496"	612.732476	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2ACN+2H"	84.067652
"1594285"	1226.365928	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K+HCOOH"	84.968628
"1418851"	1256.397438	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+CF3COOH"	115.000138
"1152421"	633.245751	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3ACN+2H"	125.094202
"1708533"	1273.423985	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4+CF3COOH"	132.026685
"1636529"	1278.37938	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+CF3COOH"	136.98208
"1575461"	1294.35332	"C05337"	"Chenodeoxycholoyl-CoA;3alpha7alpha-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K+CF3COOH"	152.95602
"809112"	901.152	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M"	0
"985925"	882.13361	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H2O-H"	-19.01839
"74168"	599.760724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-3H"	-3.021828
"512637"	900.144724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-3H"	-3.021828
"886064"	299.376724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-3H"	-3.021828
"5732"	900.144724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H"	-2.014552
"444561"	1350.720724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H"	-2.014552
"822004"	449.568724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H"	-2.014552
"80172"	1801.296724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H"	-1.007276
"520461"	2702.448724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H"	-1.007276
"898261"	900.144724	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H"	-1.007276
"49719"	1818.323271	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+NH4"	16.019271
"487944"	2719.475271	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+NH4"	16.019271
"865624"	917.171271	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+NH4"	16.019271
"32068"	1823.278666	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+Na"	20.974666
"474181"	2724.430666	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+Na"	20.974666
"856359"	922.126666	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+Na"	20.974666
"1630637"	922.126666	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na-2H"	20.974666
"106439"	918.133063	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H+Cl"	33.962126
"540893"	1368.709063	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H+Cl"	33.962126
"938420"	467.557063	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+Cl"	33.962126
"276247"	1837.273402	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Cl"	34.969402
"662834"	2738.425402	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Cl"	34.969402
"1278884"	936.121402	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl"	34.969402
"20712"	1839.252606	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+K"	36.948606
"462457"	2740.404606	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+K"	36.948606
"840994"	938.100606	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+K"	36.948606
"1562294"	938.100606	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K-2H"	36.948606
"945802"	946.150194	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+HCOOH"	44.998194
"368393"	1847.302201	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+HCOOH-H"	44.998201
"348996"	1861.317851	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Hac-H"	59.013851
"1496366"	960.165851	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Hac-H"	59.013851
"962815"	968.132151	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+NaCOOH"	66.980151
"116462"	936.121402	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Cl"	69.938804
"552374"	1386.697402	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Cl"	69.938804
"1024092"	485.545402	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Cl"	69.938804
"1245131"	980.070885	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Br"	78.918885
"1306481"	982.126872	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+HCOOH"	80.974872
"1321061"	1004.108829	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+NaCOOH"	102.956829
"913943"	1014.137586	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+CF3COOH"	112.985586
"1290656"	1050.114264	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+CF3COOH"	148.962264
"1371368"	866.139324	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-2H2O"	-35.012676
"1385952"	884.1493	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-H2O"	-17.0027
"286367"	1803.311276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H"	1.007276
"686448"	2704.463276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H"	1.007276
"1364989"	902.159276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H"	1.007276
"137882"	902.159276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2H"	2.014552
"577441"	1352.735276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2H"	2.014552
"1050614"	451.583276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H"	2.014552
"219612"	601.775276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H"	3.021828
"652611"	902.159276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+3H"	3.021828
"1171829"	301.391276	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3H"	3.021828
"434009"	1820.337823	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+NH4"	18.033823
"799014"	2721.489823	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+NH4"	18.033823
"1689148"	919.185823	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4"	18.033823
"332321"	910.6725495	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+NH4"	19.041099
"729849"	1361.2485495	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+NH4"	19.041099
"1485856"	460.0965495	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+NH4"	19.041099
"400162"	1825.293218	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na"	22.989218
"763343"	2726.445218	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na"	22.989218
"1611442"	924.141218	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na"	22.989218
"323666"	913.150247	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+Na"	23.996494
"712077"	1363.726247	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+Na"	23.996494
"1469907"	462.574247	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+Na"	23.996494
"1062059"	308.71859	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H+Na"	25.00377
"1267019"	934.185486	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+CH3OH+H"	33.033486
"386688"	1841.267158	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+K"	38.963158
"750963"	2742.419158	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+K"	38.963158
"1552290"	940.115158	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K"	38.963158
"311286"	921.137217	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+K"	39.970434
"703709"	1371.713217	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+K"	39.970434
"1457529"	470.561217	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+K"	39.970434
"250872"	1844.337826	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+H"	42.033826
"1221034"	943.185826	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+H"	42.033826
"1203822"	472.096551	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+2H"	43.041102
"196692"	1847.27516	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na-H"	44.97116
"639534"	2748.42716	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na-H"	44.97116
"1140488"	946.12316	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na-H"	44.97116
"183048"	924.141218	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na"	45.978436
"623701"	1374.717218	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na"	45.978436
"1127205"	473.565218	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na"	45.978436
"1404537"	316.045904	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+2Na"	46.985712
"1436288"	948.164746	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+HCOOH"	47.012746
"231449"	929.17424	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H2O+2H"	56.04448
"1518419"	962.21679	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+H"	61.06479
"418103"	932.128188	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na+K"	61.952376
"782746"	1382.704188	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na+K"	61.952376
"1675429"	481.552188	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+K"	61.952376
"261948"	1866.319768	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+Na"	64.015768
"1232470"	965.167768	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+Na"	64.015768
"1719173"	965.191293	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+HCOOH"	64.039293
"1182340"	323.373218	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3Na"	68.967654
"1665332"	970.146688	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+HCOOH"	68.994688
"170034"	1879.22304	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K-H"	76.91904
"611417"	2780.37504	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K-H"	76.91904
"1095206"	978.07104	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K-H"	76.91904
"154209"	940.115158	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K"	77.926316
"593770"	1390.691158	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K"	77.926316
"1077190"	489.539158	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K"	77.926316
"1111493"	980.085592	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K+H"	78.933592
"1342411"	980.173207	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+DMSO+H"	79.021207
"1016410"	984.212376	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+H"	83.060376
"1534535"	985.206008	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+Na+H"	84.054008
"999887"	492.609826	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+2H"	84.067652
"1593301"	986.120628	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+HCOOH"	84.968628
"1418961"	1016.152138	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+CF3COOH"	115.000138
"1154717"	513.123101	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3ACN+2H"	125.094202
"1703175"	1033.178685	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+CF3COOH"	132.026685
"1636639"	1038.13408	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+CF3COOH"	136.98208
"1574478"	1054.10802	"C05338"	"4-Hydroxyphenylacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+CF3COOH"	152.95602
"811406"	65.9871	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M"	0
"981658"	46.96871	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-H2O-H"	-19.01839
"77067"	42.984124	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M-3H"	-3.021828
"512747"	64.979824	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M-3H"	-3.021828
"882892"	20.988424	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-3H"	-3.021828
"3285"	64.979824	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M-2H"	-2.014552
"443215"	97.973374	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M-2H"	-2.014552
"821019"	31.986274	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-2H"	-2.014552
"80038"	130.966924	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M-H"	-1.007276
"519110"	196.954024	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M-H"	-1.007276
"898371"	64.979824	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-H"	-1.007276
"48613"	147.993471	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M-2H+NH4"	16.019271
"487236"	213.980571	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M-2H+NH4"	16.019271
"864251"	82.006371	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-2H+NH4"	16.019271
"32537"	152.948866	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M-2H+Na"	20.974666
"471775"	218.935966	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M-2H+Na"	20.974666
"850997"	86.961766	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-2H+Na"	20.974666
"1619804"	86.961766	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Na-2H"	20.974666
"100345"	82.968163	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M-H+Cl"	33.962126
"543186"	115.961713	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M-H+Cl"	33.962126
"935972"	49.974613	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-H+Cl"	33.962126
"275256"	166.943602	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+Cl"	34.969402
"668773"	232.930702	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+Cl"	34.969402
"1281176"	100.956502	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Cl"	34.969402
"20093"	168.922806	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M-2H+K"	36.948606
"461110"	234.909906	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M-2H+K"	36.948606
"841104"	102.935706	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-2H+K"	36.948606
"1562404"	102.935706	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+K-2H"	36.948606
"947006"	110.985294	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-H+HCOOH"	44.998194
"363763"	176.972401	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+HCOOH-H"	44.998201
"349106"	190.988051	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+Hac-H"	59.013851
"1496112"	125.000951	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Hac-H"	59.013851
"962561"	132.967251	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-H+NaCOOH"	66.980151
"116573"	100.956502	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+2Cl"	69.938804
"552484"	133.950052	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+2Cl"	69.938804
"1024930"	67.962952	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2Cl"	69.938804
"1247428"	144.905985	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Br"	78.918885
"1308050"	146.961972	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Cl+HCOOH"	80.974872
"1321537"	168.943929	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Cl+NaCOOH"	102.956829
"914055"	178.972686	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M-H+CF3COOH"	112.985586
"1292952"	214.949364	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Cl+CF3COOH"	148.962264
"1370749"	30.974424	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H-2H2O"	-35.012676
"1386790"	48.9844	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H-H2O"	-17.0027
"287205"	132.981476	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+H"	1.007276
"686559"	198.968576	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+H"	1.007276
"1359633"	66.994376	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H"	1.007276
"141029"	66.994376	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+2H"	2.014552
"580712"	99.987926	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+2H"	2.014552
"1052060"	34.000826	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2H"	2.014552
"215346"	44.998676	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+3H"	3.021828
"657823"	66.994376	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+3H"	3.021828
"1176679"	23.002976	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+3H"	3.021828
"433026"	150.008023	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+NH4"	18.033823
"796206"	215.995123	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+NH4"	18.033823
"1692539"	84.020923	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+NH4"	18.033823
"332431"	75.5076495	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+H+NH4"	19.041099
"729960"	108.5011995	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+H+NH4"	19.041099
"1484872"	42.5140995	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H+NH4"	19.041099
"395897"	154.963418	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+Na"	22.989218
"760173"	220.950518	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+Na"	22.989218
"1608271"	88.976318	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Na"	22.989218
"318309"	77.985347	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+H+Na"	23.996494
"714010"	110.978897	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+H+Na"	23.996494
"1465643"	44.991797	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H+Na"	23.996494
"1058889"	30.33029	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2H+Na"	25.00377
"1263848"	99.020586	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+CH3OH+H"	33.033486
"384611"	170.937358	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+K"	38.963158
"751804"	236.924458	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+K"	38.963158
"1552399"	104.950258	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+K"	38.963158
"305929"	85.972317	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+H+K"	39.970434
"702726"	118.965867	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+H+K"	39.970434
"1454359"	52.978767	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H+K"	39.970434
"247333"	174.008026	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+ACN+H"	42.033826
"1220050"	108.020926	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+ACN+H"	42.033826
"1201746"	54.514101	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+ACN+2H"	43.041102
"198991"	176.94536	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+2Na-H"	44.97116
"639280"	242.93246	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+2Na-H"	44.97116
"1142057"	110.95826	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2Na-H"	44.97116
"180973"	88.976318	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+2Na"	45.978436
"623813"	121.969868	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+2Na"	45.978436
"1124038"	55.982768	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2Na"	45.978436
"1405375"	37.657604	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H+2Na"	46.985712
"1435304"	112.999846	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H+HCOOH"	47.012746
"230466"	94.00934	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+3H2O+2H"	56.04448
"1517072"	127.05189	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+IsoProp+H"	61.06479
"420037"	96.963288	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+Na+K"	61.952376
"782127"	129.956838	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+Na+K"	61.952376
"1674811"	63.969738	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Na+K"	61.952376
"261694"	195.989968	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+ACN+Na"	64.015768
"1234767"	130.002868	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+ACN+Na"	64.015768
"1719283"	130.026393	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+NH4+HCOOH"	64.039293
"1185730"	44.984918	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+3Na"	68.967654
"1665434"	134.981788	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Na+HCOOH"	68.994688
"170875"	208.89324	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+2K-H"	76.91904
"612259"	274.88034	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+2K-H"	76.91904
"1097508"	142.90614	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2K-H"	76.91904
"152863"	104.950258	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"2M+2K"	77.926316
"592787"	137.943808	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"3M+2K"	77.926316
"1080582"	71.956708	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2K"	77.926316
"1109417"	144.920692	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2K+H"	78.933592
"1344708"	145.008307	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+DMSO+H"	79.021207
"1016521"	149.047476	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2ACN+H"	83.060376
"1533551"	150.041108	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+IsoProp+Na+H"	84.054008
"999997"	75.027376	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+2ACN+2H"	84.067652
"1593411"	150.955728	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+K+HCOOH"	84.968628
"1419071"	180.987238	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+H+CF3COOH"	115.000138
"1151546"	95.540651	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+3ACN+2H"	125.094202
"1705472"	198.013785	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+NH4+CF3COOH"	132.026685
"1636749"	202.96918	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+Na+CF3COOH"	136.98208
"1574588"	218.94312	"C05339"	"Phosphinate;Phosphinic acid;Hypophosphorous acid;Hyopophosphite"	"H3PO2"	"65.9871"	"M+K+CF3COOH"	152.95602
"814796"	245.1488	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M"	0
"988331"	226.13041	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-H2O-H"	-19.01839
"73290"	162.425257333333	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M-3H"	-3.021828
"512857"	244.141524	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M-3H"	-3.021828
"884095"	80.7089906666667	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-3H"	-3.021828
"7041"	244.141524	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M-2H"	-2.014552
"446604"	366.715924	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M-2H"	-2.014552
"821129"	121.567124	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-2H"	-2.014552
"84400"	489.290324	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M-H"	-1.007276
"522867"	734.439124	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M-H"	-1.007276
"900666"	244.141524	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-H"	-1.007276
"51762"	506.316871	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M-2H+NH4"	16.019271
"490229"	751.465671	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M-2H+NH4"	16.019271
"865964"	261.168071	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-2H+NH4"	16.019271
"33744"	511.272266	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M-2H+Na"	20.974666
"473427"	756.421066	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M-2H+Na"	20.974666
"851108"	266.123466	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-2H+Na"	20.974666
"1620643"	266.123466	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Na-2H"	20.974666
"107383"	262.129863	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M-H+Cl"	33.962126
"544391"	384.704263	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M-H+Cl"	33.962126
"936449"	139.555463	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-H+Cl"	33.962126
"277920"	525.267002	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+Cl"	34.969402
"669613"	770.415802	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+Cl"	34.969402
"1283473"	280.118202	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Cl"	34.969402
"22756"	527.246206	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M-2H+K"	36.948606
"464502"	772.395006	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M-2H+K"	36.948606
"841214"	282.097406	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-2H+K"	36.948606
"1561421"	282.097406	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+K-2H"	36.948606
"949304"	290.146994	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-H+HCOOH"	44.998194
"371893"	535.295801	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+HCOOH-H"	44.998201
"351405"	549.311451	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+Hac-H"	59.013851
"1502422"	304.162651	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Hac-H"	59.013851
"966683"	312.128951	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-H+NaCOOH"	66.980151
"122881"	280.118202	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+2Cl"	69.938804
"557338"	402.692602	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+2Cl"	69.938804
"1026863"	157.543802	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2Cl"	69.938804
"1247172"	324.067685	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Br"	78.918885
"1311078"	326.123672	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Cl+HCOOH"	80.974872
"1324199"	348.105629	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Cl+NaCOOH"	102.956829
"915989"	358.134386	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M-H+CF3COOH"	112.985586
"1294884"	394.111064	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Cl+CF3COOH"	148.962264
"1373046"	210.136124	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H-2H2O"	-35.012676
"1386536"	228.1461	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H-H2O"	-17.0027
"287315"	491.304876	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+H"	1.007276
"688856"	736.453676	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+H"	1.007276
"1358650"	246.156076	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H"	1.007276
"139194"	246.156076	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+2H"	2.014552
"580822"	368.730476	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+2H"	2.014552
"1051568"	123.581676	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2H"	2.014552
"215456"	164.439809333333	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+3H"	3.021828
"656111"	246.156076	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+3H"	3.021828
"1174238"	82.7235426666667	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+3H"	3.021828
"434229"	508.331423	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+NH4"	18.033823
"797411"	753.480223	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+NH4"	18.033823
"1690461"	263.182623	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+NH4"	18.033823
"333272"	254.6693495	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+H+NH4"	19.041099
"730071"	377.2437495	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+H+NH4"	19.041099
"1484983"	132.0949495	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H+NH4"	19.041099
"397101"	513.286818	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+Na"	22.989218
"761378"	758.435618	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+Na"	22.989218
"1609476"	268.138018	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Na"	22.989218
"321699"	257.147047	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+H+Na"	23.996494
"711933"	379.721447	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+H+Na"	23.996494
"1465754"	134.572647	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H+Na"	23.996494
"1060094"	90.0508566666667	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2H+Na"	25.00377
"1262865"	278.182286	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+CH3OH+H"	33.033486
"383630"	529.260758	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+K"	38.963158
"752643"	774.409558	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+K"	38.963158
"1553240"	284.111958	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+K"	38.963158
"309321"	265.134017	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+H+K"	39.970434
"705023"	387.708417	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+H+K"	39.970434
"1457750"	142.559617	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H+K"	39.970434
"244163"	532.331426	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+ACN+H"	42.033826
"1215784"	287.182626	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+ACN+H"	42.033826
"1202949"	144.094951	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+ACN+2H"	43.041102
"196912"	535.26876	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+2Na-H"	44.97116
"640483"	780.41756	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+2Na-H"	44.97116
"1143989"	290.11996	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2Na-H"	44.97116
"183271"	268.138018	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+2Na"	45.978436
"625018"	390.712418	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+2Na"	45.978436
"1124150"	145.563618	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2Na"	45.978436
"1409862"	97.3781706666667	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H+2Na"	46.985712
"1441976"	292.161546	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H+HCOOH"	47.012746
"229847"	273.17104	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+3H2O+2H"	56.04448
"1520827"	306.21359	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+IsoProp+H"	61.06479
"420148"	276.124988	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+Na+K"	61.952376
"784912"	398.699388	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+Na+K"	61.952376
"1676015"	153.550588	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Na+K"	61.952376
"262169"	554.313368	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+ACN+Na"	64.015768
"1237066"	309.164568	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+ACN+Na"	64.015768
"1722673"	309.188093	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+NH4+HCOOH"	64.039293
"1185840"	104.705484666667	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+3Na"	68.967654
"1663401"	314.143488	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Na+HCOOH"	68.994688
"171355"	567.21664	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+2K-H"	76.91904
"612007"	812.36544	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+2K-H"	76.91904
"1092878"	322.06784	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2K-H"	76.91904
"151517"	284.111958	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"2M+2K"	77.926316
"590712"	406.686358	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"3M+2K"	77.926316
"1077415"	161.537558	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2K"	77.926316
"1106250"	324.082392	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2K+H"	78.933592
"1340448"	324.170007	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+DMSO+H"	79.021207
"1014444"	328.209176	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2ACN+H"	83.060376
"1534392"	329.202808	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+IsoProp+Na+H"	84.054008
"999014"	164.608226	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+2ACN+2H"	84.067652
"1600443"	330.117428	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+K+HCOOH"	84.968628
"1419178"	360.148938	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+H+CF3COOH"	115.000138
"1152748"	185.121501	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+3ACN+2H"	125.094202
"1705582"	377.175485	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+NH4+CF3COOH"	132.026685
"1637952"	382.13088	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+Na+CF3COOH"	136.98208
"1575791"	398.10482	"C05340"	"beta-Alanyl-L-arginine"	"C9H19N5O3"	"245.1488"	"M+K+CF3COOH"	152.95602
"816005"	217.1426	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M"	0
"987348"	198.12421	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-H2O-H"	-19.01839
"75590"	143.754457333333	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M-3H"	-3.021828
"517342"	216.135324	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M-3H"	-3.021828
"891862"	71.3735906666667	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-3H"	-3.021828
"8248"	216.135324	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M-2H"	-2.014552
"447811"	324.706624	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M-2H"	-2.014552
"826706"	107.564024	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-2H"	-2.014552
"84510"	433.277924	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M-H"	-1.007276
"521884"	650.420524	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M-H"	-1.007276
"898591"	216.135324	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-H"	-1.007276
"50778"	450.304471	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M-2H+NH4"	16.019271
"492527"	667.447071	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M-2H+NH4"	16.019271
"869236"	233.161871	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-2H+NH4"	16.019271
"36042"	455.259866	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M-2H+Na"	20.974666
"479979"	672.402466	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M-2H+Na"	20.974666
"858874"	238.117266	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-2H+Na"	20.974666
"1620386"	238.117266	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Na-2H"	20.974666
"104941"	234.123663	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M-H+Cl"	33.962126
"544500"	342.694963	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M-H+Cl"	33.962126
"938016"	125.552363	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-H+Cl"	33.962126
"277665"	469.254602	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+Cl"	34.969402
"670086"	686.397202	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+Cl"	34.969402
"1280668"	252.112002	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Cl"	34.969402
"22866"	471.233806	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M-2H+K"	36.948606
"463520"	688.376406	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M-2H+K"	36.948606
"842418"	254.091206	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-2H+K"	36.948606
"1562625"	254.091206	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+K-2H"	36.948606
"950508"	262.140794	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-H+HCOOH"	44.998194
"372734"	479.283401	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+HCOOH-H"	44.998201
"354795"	493.299051	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+Hac-H"	59.013851
"1499252"	276.156451	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Hac-H"	59.013851
"963513"	284.122751	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-H+NaCOOH"	66.980151
"115700"	252.112002	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+2Cl"	69.938804
"561458"	360.683302	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+2Cl"	69.938804
"1026610"	143.540702	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2Cl"	69.938804
"1250198"	296.061485	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Br"	78.918885
"1312646"	298.117472	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Cl+HCOOH"	80.974872
"1321760"	320.099429	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Cl+NaCOOH"	102.956829
"913550"	330.128186	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M-H+CF3COOH"	112.985586
"1294633"	366.104864	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Cl+CF3COOH"	148.962264
"1374983"	182.129924	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H-2H2O"	-35.012676
"1392481"	200.1399	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H-H2O"	-17.0027
"298210"	435.292476	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+H"	1.007276
"690060"	652.435076	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+H"	1.007276
"1362040"	218.149876	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H"	1.007276
"138210"	218.149876	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+2H"	2.014552
"579960"	326.721176	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+2H"	2.014552
"1050581"	109.578576	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2H"	2.014552
"214473"	145.769009333333	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+3H"	3.021828
"646742"	218.149876	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+3H"	3.021828
"1169973"	73.3881426666667	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+3H"	3.021828
"431059"	452.319023	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+NH4"	18.033823
"793148"	669.461623	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+NH4"	18.033823
"1686561"	235.176423	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+NH4"	18.033823
"332650"	226.6631495	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+H+NH4"	19.041099
"726167"	335.2344495	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+H+NH4"	19.041099
"1482536"	118.0918495	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H+NH4"	19.041099
"396118"	457.274418	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+Na"	22.989218
"759300"	674.417018	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+Na"	22.989218
"1608492"	240.131818	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Na"	22.989218
"319623"	229.140847	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+H+Na"	23.996494
"709491"	337.712147	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+H+Na"	23.996494
"1464771"	120.569547	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H+Na"	23.996494
"1055830"	80.7154566666667	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2H+Na"	25.00377
"1258964"	250.176086	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+CH3OH+H"	33.033486
"383738"	473.248358	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+K"	38.963158
"749108"	690.390958	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+K"	38.963158
"1550068"	256.105758	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+K"	38.963158
"312713"	237.127817	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+H+K"	39.970434
"705133"	345.699117	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+H+K"	39.970434
"1459683"	128.556517	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H+K"	39.970434
"244273"	476.319026	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+ACN+H"	42.033826
"1220272"	259.176426	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+ACN+H"	42.033826
"1204154"	130.091851	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+ACN+2H"	43.041102
"199212"	479.25636	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+2Na-H"	44.97116
"642417"	696.39896	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+2Na-H"	44.97116
"1144830"	262.11376	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2Na-H"	44.97116
"186297"	240.131818	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+2Na"	45.978436
"626952"	348.703118	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+2Na"	45.978436
"1127905"	131.560518	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2Na"	45.978436
"1411429"	88.0427706666667	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H+2Na"	46.985712
"1442451"	264.155346	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H+HCOOH"	47.012746
"228502"	245.16484	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+3H2O+2H"	56.04448
"1520572"	278.20739	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+IsoProp+H"	61.06479
"420624"	248.118788	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+Na+K"	61.952376
"779066"	356.690088	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+Na+K"	61.952376
"1679893"	139.547488	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Na+K"	61.952376
"265321"	498.300968	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+ACN+Na"	64.015768
"1240092"	281.158368	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+ACN+Na"	64.015768
"1724606"	281.181893	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+NH4+HCOOH"	64.039293
"1188866"	95.3700846666667	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+3Na"	68.967654
"1664723"	286.137288	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Na+HCOOH"	68.994688
"172193"	511.20424	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+2K-H"	76.91904
"611751"	728.34684	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+2K-H"	76.91904
"1097361"	294.06164	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2K-H"	76.91904
"155268"	256.105758	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"2M+2K"	77.926316
"595556"	364.677058	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"3M+2K"	77.926316
"1076429"	147.534458	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2K"	77.926316
"1111096"	296.076192	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2K+H"	78.933592
"1347117"	296.163807	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+DMSO+H"	79.021207
"1018560"	300.202976	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2ACN+H"	83.060376
"1533767"	301.196608	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+IsoProp+Na+H"	84.054008
"998030"	150.605126	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+2ACN+2H"	84.067652
"1600187"	302.111228	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+K+HCOOH"	84.968628
"1418195"	332.142738	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+H+CF3COOH"	115.000138
"1151765"	171.118401	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+3ACN+2H"	125.094202
"1704603"	349.169285	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+NH4+CF3COOH"	132.026685
"1646813"	354.12468	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+Na+CF3COOH"	136.98208
"1584650"	370.09862	"C05341"	"beta-Alanyl-L-lysine"	"C9H19N3O3"	"217.1426"	"M+K+CF3COOH"	152.95602
"808456"	297.1073	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M"	0
"985270"	278.08891	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-H2O-H"	-19.01839
"77404"	197.064257333333	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M-3H"	-3.021828
"517331"	296.100024	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M-3H"	-3.021828
"889785"	98.0284906666667	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-3H"	-3.021828
"8358"	296.100024	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M-2H"	-2.014552
"447921"	444.653674	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M-2H"	-2.014552
"822443"	147.546374	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-2H"	-2.014552
"86807"	593.207324	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M-H"	-1.007276
"526369"	890.314624	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M-H"	-1.007276
"899796"	296.100024	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-H"	-1.007276
"51983"	610.233871	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M-2H+NH4"	16.019271
"493731"	907.341171	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M-2H+NH4"	16.019271
"870440"	313.126571	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-2H+NH4"	16.019271
"40529"	615.189266	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M-2H+Na"	20.974666
"478995"	912.296566	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M-2H+Na"	20.974666
"860077"	318.081966	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-2H+Na"	20.974666
"1633745"	318.081966	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Na-2H"	20.974666
"107603"	314.088363	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M-H+Cl"	33.962126
"548620"	462.642013	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M-H+Cl"	33.962126
"942261"	165.534713	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-H+Cl"	33.962126
"280692"	629.184002	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+Cl"	34.969402
"671289"	926.291302	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+Cl"	34.969402
"1283694"	332.076702	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Cl"	34.969402
"22976"	631.163206	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M-2H+K"	36.948606
"464723"	928.270506	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M-2H+K"	36.948606
"842526"	334.055906	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-2H+K"	36.948606
"1560549"	334.055906	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+K-2H"	36.948606
"948432"	342.105494	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-H+HCOOH"	44.998194
"372480"	639.212801	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+HCOOH-H"	44.998201
"356363"	653.228451	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+Hac-H"	59.013851
"1500093"	356.121151	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Hac-H"	59.013851
"966902"	364.087451	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-H+NaCOOH"	66.980151
"121279"	332.076702	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+2Cl"	69.938804
"555370"	480.630352	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+2Cl"	69.938804
"1026356"	183.523052	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2Cl"	69.938804
"1245935"	376.026185	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Br"	78.918885
"1308746"	378.082172	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Cl+HCOOH"	80.974872
"1323695"	400.064129	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Cl+NaCOOH"	102.956829
"913660"	410.092886	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M-H+CF3COOH"	112.985586
"1296932"	446.069564	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Cl+CF3COOH"	148.962264
"1372904"	262.094624	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H-2H2O"	-35.012676
"1393684"	280.1046	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H-H2O"	-17.0027
"298115"	595.221876	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+H"	1.007276
"689928"	892.329176	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+H"	1.007276
"1366162"	298.114576	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H"	1.007276
"135040"	298.114576	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+2H"	2.014552
"580801"	446.668226	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+2H"	2.014552
"1049602"	149.560926	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2H"	2.014552
"214583"	199.078809333333	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+3H"	3.021828
"649041"	298.114576	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+3H"	3.021828
"1171177"	100.043042666667	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+3H"	3.021828
"434449"	612.248423	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+NH4"	18.033823
"794350"	909.355723	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+NH4"	18.033823
"1691411"	315.141123	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+NH4"	18.033823
"334948"	306.6278495	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+H+NH4"	19.041099
"728465"	455.1814995	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+H+NH4"	19.041099
"1481920"	158.0741995	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H+NH4"	19.041099
"395860"	617.203818	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+Na"	22.989218
"761595"	914.311118	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+Na"	22.989218
"1606413"	320.096518	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Na"	22.989218
"318640"	309.105547	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+H+Na"	23.996494
"709968"	457.659197	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+H+Na"	23.996494
"1462088"	160.551897	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H+Na"	23.996494
"1055941"	107.370356666667	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2H+Na"	25.00377
"1261261"	330.140786	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+CH3OH+H"	33.033486
"380567"	633.177758	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+K"	38.963158
"745939"	930.285058	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+K"	38.963158
"1554554"	336.070458	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+K"	38.963158
"314081"	317.092517	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+H+K"	39.970434
"704149"	465.646167	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+H+K"	39.970434
"1459793"	168.538867	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H+K"	39.970434
"246571"	636.248426	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+ACN+H"	42.033826
"1219287"	339.141126	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+ACN+H"	42.033826
"1204263"	170.074201	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+ACN+2H"	43.041102
"196041"	639.18576	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+2Na-H"	44.97116
"639975"	936.29306	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+2Na-H"	44.97116
"1141295"	342.07846	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2Na-H"	44.97116
"184950"	320.096518	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+2Na"	45.978436
"620864"	468.650168	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+2Na"	45.978436
"1130081"	171.542868	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2Na"	45.978436
"1410079"	114.697670666667	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H+2Na"	46.985712
"1444019"	344.120046	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H+HCOOH"	47.012746
"225332"	325.12954	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+3H2O+2H"	56.04448
"1519954"	358.17209	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+IsoProp+H"	61.06479
"418547"	328.083488	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+Na+K"	61.952376
"781728"	476.637138	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+Na+K"	61.952376
"1680977"	179.529838	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Na+K"	61.952376
"264215"	658.230368	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+ACN+Na"	64.015768
"1239838"	361.123068	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+ACN+Na"	64.015768
"1722529"	361.146593	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+NH4+HCOOH"	64.039293
"1188976"	122.024984666667	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+3Na"	68.967654
"1665079"	366.101988	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Na+HCOOH"	68.994688
"171217"	671.13364	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+2K-H"	76.91904
"612472"	968.24094	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+2K-H"	76.91904
"1098200"	374.02634	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2K-H"	76.91904
"155015"	336.070458	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"2M+2K"	77.926316
"594575"	484.624108	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"3M+2K"	77.926316
"1079456"	187.516808	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2K"	77.926316
"1112303"	376.040892	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2K+H"	78.933592
"1345041"	376.128507	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+DMSO+H"	79.021207
"1015394"	380.167676	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2ACN+H"	83.060376
"1536799"	381.161308	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+IsoProp+Na+H"	84.054008
"1002518"	190.587476	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+2ACN+2H"	84.067652
"1599207"	382.075928	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+K+HCOOH"	84.968628
"1421584"	412.107438	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+H+CF3COOH"	115.000138
"1154063"	211.100751	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+3ACN+2H"	125.094202
"1709083"	429.133985	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+NH4+CF3COOH"	132.026685
"1638172"	434.08938	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+Na+CF3COOH"	136.98208
"1584760"	450.06332	"C05342"	"Psicofuranine;Angustmycin C"	"C11H15N5O5"	"297.1073"	"M+K+CF3COOH"	152.95602
"805286"	168.0423	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M"	0
"987567"	149.02391	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"77393"	111.020924	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"517077"	167.035024	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"888802"	55.006824	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"8468"	167.035024	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"448031"	251.056174	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"822553"	83.013874	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"86917"	335.077324	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"525385"	503.119624	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"897719"	167.035024	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"48812"	352.103871	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"491654"	520.146171	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"868363"	184.061571	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"36263"	357.059266	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"480201"	525.101566	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"861281"	189.016966	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1630818"	189.016966	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"108077"	185.023363	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"548732"	269.044513	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"942369"	101.002213	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"282386"	371.054002	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"669214"	539.096302	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1283804"	203.011702	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"24180"	373.033206	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"463740"	541.075506	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"844824"	204.990906	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1561751"	204.990906	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"946355"	213.040494	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"374048"	381.082801	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"352829"	395.098451	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1498380"	227.056151	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"968837"	235.022451	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"112640"	203.011702	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"553290"	287.032852	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1024280"	118.990552	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1243857"	246.961185	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1306306"	249.017172	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1324896"	270.999129	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"915955"	281.027886	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1291572"	317.004564	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1373014"	133.029624	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1390514"	151.0396	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"294574"	337.091876	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"690155"	505.134176	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1365179"	169.049576	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"137337"	169.049576	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"579455"	253.070726	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1047890"	85.028426	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"216880"	113.035476	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"650974"	169.049576	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1170195"	57.021376	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"434560"	354.118423	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"792273"	522.160723	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1689698"	186.076123	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"335786"	177.5628495	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"728208"	261.5839995	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1483123"	93.5416995	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"397430"	359.073818	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"759518"	527.116118	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1606522"	191.031518	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"315469"	180.040547	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"710075"	264.061697	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1463043"	96.019397	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1054955"	64.34869	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1258093"	201.075786	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"380678"	375.047758	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"746049"	543.090058	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1550288"	207.005458	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"312934"	188.027517	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"703166"	272.048667	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1459539"	104.006367	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"245588"	378.118426	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1221585"	210.076126	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1205468"	105.541701	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"198338"	381.05576	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"640815"	549.09806	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1139218"	213.01346	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"185424"	191.031518	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"624620"	275.052668	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1128124"	107.010368	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1410189"	71.676004	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1442670"	215.055046	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"228722"	196.06454	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1520064"	229.10709	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"417564"	199.018488	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"779650"	283.039638	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1680235"	114.997338	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"263596"	400.100368	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1239949"	232.058068	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1723003"	232.081593	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1188357"	79.003318	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1665392"	237.036988	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"172704"	413.00364	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"612582"	581.04594	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1098311"	244.96134	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"154762"	207.005458	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"592863"	291.026608	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1078473"	122.984308	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1112777"	246.975892	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1345880"	247.063507	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1015868"	251.102676	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1535815"	252.096308	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"1001535"	126.054976	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1598224"	253.010928	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1419508"	283.042438	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1153078"	146.568251	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1705912"	300.068985	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1638282"	305.02438	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1584870"	320.99832	"C05343"	"(R)-4-Hydroxymandelate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"816703"	587.0666	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M"	0
"989268"	568.04821	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-H2O-H"	-19.01839
"77748"	390.370457333333	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M-3H"	-3.021828
"514389"	586.059324	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M-3H"	-3.021828
"891827"	194.681590666667	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-3H"	-3.021828
"4206"	586.059324	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M-2H"	-2.014552
"451421"	879.592624	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M-2H"	-2.014552
"823756"	292.526024	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-2H"	-2.014552
"84841"	1173.125924	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M-H"	-1.007276
"523670"	1760.192524	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M-H"	-1.007276
"900015"	586.059324	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-H"	-1.007276
"51109"	1190.152471	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+NH4"	16.019271
"493951"	1777.219071	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+NH4"	16.019271
"872848"	603.085871	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-2H+NH4"	16.019271
"38560"	1195.107866	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+Na"	20.974666
"483591"	1782.174466	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+Na"	20.974666
"861027"	608.041266	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-2H+Na"	20.974666
"1633368"	608.041266	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Na-2H"	20.974666
"106365"	604.047663	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M-H+Cl"	33.962126
"549330"	897.580963	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M-H+Cl"	33.962126
"942119"	310.514363	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-H+Cl"	33.962126
"282133"	1209.102602	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+Cl"	34.969402
"666408"	1796.169202	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+Cl"	34.969402
"1283915"	622.036002	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Cl"	34.969402
"28661"	1211.081806	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+K"	36.948606
"466035"	1798.148406	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+K"	36.948606
"844931"	624.015206	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-2H+K"	36.948606
"1557119"	624.015206	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+K-2H"	36.948606
"944275"	632.064794	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-H+HCOOH"	44.998194
"363582"	1219.131401	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+HCOOH-H"	44.998201
"354029"	1233.147051	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+Hac-H"	59.013851
"1496299"	646.080451	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Hac-H"	59.013851
"959465"	654.046751	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-H+NaCOOH"	66.980151
"110680"	622.036002	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+2Cl"	69.938804
"555590"	915.569302	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+2Cl"	69.938804
"1024752"	328.502702	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2Cl"	69.938804
"1245062"	665.985485	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Br"	78.918885
"1305321"	668.041472	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+HCOOH"	80.974872
"1322818"	690.023429	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+NaCOOH"	102.956829
"921531"	700.052186	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M-H+CF3COOH"	112.985586
"1294962"	736.028864	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+CF3COOH"	148.962264
"1372031"	552.053924	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H-2H2O"	-35.012676
"1396092"	570.0639	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H-H2O"	-17.0027
"297239"	1175.140476	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+H"	1.007276
"691003"	1762.207076	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+H"	1.007276
"1365654"	588.073876	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H"	1.007276
"140001"	588.073876	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+2H"	2.014552
"578836"	881.607176	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+2H"	2.014552
"1047636"	294.540576	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2H"	2.014552
"214807"	392.385009333333	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+3H"	3.021828
"654365"	588.073876	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+3H"	3.021828
"1166294"	196.696142666667	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+3H"	3.021828
"429198"	1192.167023	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+NH4"	18.033823
"786668"	1779.233623	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+NH4"	18.033823
"1686528"	605.100423	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+NH4"	18.033823
"336262"	596.5871495	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+H+NH4"	19.041099
"728320"	890.1204495	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+H+NH4"	19.041099
"1484325"	303.0538495	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H+NH4"	19.041099
"397540"	1197.122418	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+Na"	22.989218
"758536"	1784.189018	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+Na"	22.989218
"1608820"	610.055818	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Na"	22.989218
"317765"	599.064847	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+H+Na"	23.996494
"710186"	892.598147	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+H+Na"	23.996494
"1464368"	305.531547	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H+Na"	23.996494
"1052914"	204.023456666667	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2H+Na"	25.00377
"1258933"	620.100086	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+CH3OH+H"	33.033486
"382975"	1213.096358	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+K"	38.963158
"748344"	1800.162958	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+K"	38.963158
"1553680"	626.029758	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+K"	38.963158
"313412"	607.051817	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+H+K"	39.970434
"705832"	900.585117	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+H+K"	39.970434
"1461198"	313.518517	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H+K"	39.970434
"250564"	1216.167026	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+ACN+H"	42.033826
"1218415"	629.100426	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+H"	42.033826
"1200110"	315.053851	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+2H"	43.041102
"196260"	1219.10436	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+2Na-H"	44.97116
"642020"	1806.17096	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+2Na-H"	44.97116
"1140421"	632.03776	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2Na-H"	44.97116
"179338"	610.055818	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+2Na"	45.978436
"623270"	903.589118	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+2Na"	45.978436
"1129695"	316.522518	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2Na"	45.978436
"1412854"	211.350770666667	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H+2Na"	46.985712
"1445092"	634.079346	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H+HCOOH"	47.012746
"232112"	615.08884	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+3H2O+2H"	56.04448
"1523459"	648.13139	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+IsoProp+H"	61.06479
"422901"	618.042788	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+Na+K"	61.952376
"784988"	911.576088	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+Na+K"	61.952376
"1678643"	324.509488	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Na+K"	61.952376
"265895"	1238.148968	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+ACN+Na"	64.015768
"1238965"	651.082368	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+Na"	64.015768
"1723113"	651.105893	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+NH4+HCOOH"	64.039293
"1187373"	218.678084666667	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+3Na"	68.967654
"1664936"	656.061288	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Na+HCOOH"	68.994688
"171436"	1251.05224	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+2K-H"	76.91904
"611357"	1838.11884	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+2K-H"	76.91904
"1097693"	663.98564	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2K-H"	76.91904
"153416"	626.029758	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"2M+2K"	77.926316
"594435"	919.563058	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"3M+2K"	77.926316
"1081863"	332.496458	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2K"	77.926316
"1111065"	666.000192	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2K+H"	78.933592
"1345261"	666.087807	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+DMSO+H"	79.021207
"1018529"	670.126976	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2ACN+H"	83.060376
"1534467"	671.120608	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+IsoProp+Na+H"	84.054008
"1004560"	335.567126	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+2ACN+2H"	84.067652
"1601613"	672.035228	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+K+HCOOH"	84.968628
"1419618"	702.066738	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+H+CF3COOH"	115.000138
"1152097"	356.080401	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+3ACN+2H"	125.094202
"1708211"	719.093285	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+NH4+CF3COOH"	132.026685
"1647144"	724.04868	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+Na+CF3COOH"	136.98208
"1584980"	740.02262	"C05344"	"GDP-4-dehydro-6-deoxy-L-mannose;GDP-4-oxo-6-deoxy-L-mannose;GDP-4-oxo-L-rhamnose"	"C16H23N5O15P2"	"587.0666"	"M+K+CF3COOH"	152.95602
"805506"	260.0297	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"984507"	241.01131	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"78097"	172.345857333333	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"514501"	259.022424	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"886836"	85.6692906666667	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"4316"	259.022424	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"451532"	389.037274	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"823866"	129.007574	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"88231"	519.052124	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"528886"	779.081824	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"903407"	259.022424	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"54500"	536.078671	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"496249"	796.108371	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"872958"	276.048971	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"40858"	541.034066	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"481514"	801.063766	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"863325"	281.004366	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1627755"	281.004366	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"108661"	277.010763	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"544939"	407.025613	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"942230"	146.995913	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"281270"	555.028802	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"673808"	815.058502	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1287432"	294.999102	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"27678"	557.008006	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"463959"	817.037706	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"841762"	296.978306	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1557593"	296.978306	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"945844"	305.027894	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"364787"	565.057601	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"355235"	579.073251	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1498598"	319.043551	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"965045"	327.009851	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"113954"	294.999102	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"555701"	425.013952	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1024863"	164.984252	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1245172"	338.948585	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1307985"	341.004572	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1322566"	362.986529	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"915082"	373.015286	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1295075"	408.991964	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1375424"	225.017024	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1391828"	243.027	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"293701"	521.066676	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"691037"	781.096376	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1364305"	261.036976	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"140111"	261.036976	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"578215"	391.051826	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1049203"	131.022126	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"215646"	174.360409333333	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"654475"	261.036976	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1168227"	87.6838426666667	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"430767"	538.093223	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"790304"	798.122923	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1691010"	278.063523	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"338195"	269.5502495	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"730616"	399.5650995	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1482253"	139.5353995	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"397650"	543.048618	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"759738"	803.078318	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1610028"	283.018918	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"320063"	272.027947	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"710298"	402.042797	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1463271"	142.013097	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054447"	95.0111566666667	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1258314"	293.063186	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"380899"	559.022558	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"742991"	819.052258	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1551241"	298.992858	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"313402"	280.014917	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"706191"	410.029767	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1459766"	150.000067	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"250553"	562.093226	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1217426"	302.063526	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1203501"	151.535401	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"196372"	565.03056	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"638118"	825.06026	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1140533"	305.00086	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"177624"	283.018918	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"622288"	413.033768	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1125794"	153.004068	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1408953"	102.338470666667	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1444837"	307.042446	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"232224"	288.05194	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1522840"	321.09449	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"423260"	291.005888	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"784494"	421.020738	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1679973"	160.991038	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"262723"	584.075168	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1239805"	324.045468	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1725410"	324.068993	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1190768"	109.665784666667	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1665045"	329.024388	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"171788"	596.97844	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"611707"	857.00814	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1098776"	336.94874	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"151705"	298.992858	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"596004"	429.007708	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1083312"	168.978008	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1112632"	338.963292	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1347193"	339.050907	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1020461"	343.090076	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1536763"	344.083708	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1002848"	172.048676	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1600267"	344.998328	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1427383"	375.029838	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1156576"	192.561951	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1705039"	392.056385	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1637409"	397.01178	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1585090"	412.98572	"C05345"	"beta-D-Fructose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"812177"	622.2698	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M"	0
"985710"	603.25141	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-H2O-H"	-19.01839
"76141"	413.839257333333	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M-3H"	-3.021828
"515705"	621.262524	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M-3H"	-3.021828
"893142"	206.415990666667	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-3H"	-3.021828
"7707"	621.262524	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M-2H"	-2.014552
"455508"	932.397424	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M-2H"	-2.014552
"829082"	310.127624	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-2H"	-2.014552
"87248"	1243.532324	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M-H"	-1.007276
"525715"	1865.802124	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M-H"	-1.007276
"902423"	621.262524	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-H"	-1.007276
"55707"	1260.558871	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M-2H+NH4"	16.019271
"495267"	1882.828671	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M-2H+NH4"	16.019271
"870882"	638.289071	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-2H+NH4"	16.019271
"38782"	1265.514266	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M-2H+Na"	20.974666
"479438"	1887.784066	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M-2H+Na"	20.974666
"857240"	643.244466	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-2H+Na"	20.974666
"1632851"	643.244466	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Na-2H"	20.974666
"108407"	639.250863	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M-H+Cl"	33.962126
"548332"	950.385763	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M-H+Cl"	33.962126
"940754"	328.115963	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-H+Cl"	33.962126
"282637"	1279.509002	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+Cl"	34.969402
"675503"	1901.778802	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+Cl"	34.969402
"1287416"	657.239202	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Cl"	34.969402
"27788"	1281.488206	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M-2H+K"	36.948606
"462977"	1903.758006	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M-2H+K"	36.948606
"840778"	659.218406	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-2H+K"	36.948606
"1559893"	659.218406	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+K-2H"	36.948606
"944497"	667.267994	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-H+HCOOH"	44.998194
"367085"	1289.537801	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+HCOOH-H"	44.998201
"349879"	1303.553451	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+Hac-H"	59.013851
"1502719"	681.283651	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Hac-H"	59.013851
"959810"	689.249951	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-H+NaCOOH"	66.980151
"112969"	657.239202	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+2Cl"	69.938804
"553624"	968.374102	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+2Cl"	69.938804
"1027890"	346.104302	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2Cl"	69.938804
"1245282"	701.188685	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Br"	78.918885
"1311011"	703.244672	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Cl+HCOOH"	80.974872
"1321578"	725.226629	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Cl+NaCOOH"	102.956829
"912274"	735.255386	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M-H+CF3COOH"	112.985586
"1292264"	771.232064	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Cl+CF3COOH"	148.962264
"1368237"	587.257124	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H-2H2O"	-35.012676
"1385006"	605.2671	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H-H2O"	-17.0027
"287249"	1245.546876	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+H"	1.007276
"684044"	1867.816676	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+H"	1.007276
"1360393"	623.277076	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H"	1.007276
"139846"	623.277076	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+2H"	2.014552
"569576"	934.411976	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+2H"	2.014552
"1047122"	312.142176	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2H"	2.014552
"213931"	415.853809333333	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+3H"	3.021828
"652399"	623.277076	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+3H"	3.021828
"1170525"	208.430542666667	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+3H"	3.021828
"429056"	1262.573423	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+NH4"	18.033823
"790415"	1884.843223	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+NH4"	18.033823
"1683830"	640.303623	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+NH4"	18.033823
"333200"	631.7903495	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+H+NH4"	19.041099
"728176"	942.9252495	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+H+NH4"	19.041099
"1483455"	320.6554495	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H+NH4"	19.041099
"396668"	1267.528818	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+Na"	22.989218
"758761"	1889.798618	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+Na"	22.989218
"1607952"	645.259018	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Na"	22.989218
"321267"	634.268047	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+H+Na"	23.996494
"710408"	945.402947	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+H+Na"	23.996494
"1464232"	323.133147	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H+Na"	23.996494
"1053466"	215.757856666667	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2H+Na"	25.00377
"1260247"	655.303286	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+CH3OH+H"	33.033486
"382102"	1283.502758	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+K"	38.963158
"744194"	1905.772558	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+K"	38.963158
"1552808"	661.232958	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+K"	38.963158
"313269"	642.255017	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+H+K"	39.970434
"705689"	953.389917	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+H+K"	39.970434
"1460605"	331.120117	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H+K"	39.970434
"251272"	1286.573426	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+ACN+H"	42.033826
"1218630"	664.303626	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+ACN+H"	42.033826
"1201423"	332.655451	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+ACN+2H"	43.041102
"196482"	1289.51076	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+2Na-H"	44.97116
"636041"	1911.78056	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+2Na-H"	44.97116
"1137363"	667.24096	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2Na-H"	44.97116
"175911"	645.259018	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+2Na"	45.978436
"622398"	956.393918	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+2Na"	45.978436
"1123716"	334.124118	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2Na"	45.978436
"1409427"	223.085170666667	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H+2Na"	46.985712
"1445191"	669.282546	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H+HCOOH"	47.012746
"231241"	650.29204	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+3H2O+2H"	56.04448
"1519304"	683.33459	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+IsoProp+H"	61.06479
"422880"	653.245988	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+Na+K"	61.952376
"784238"	964.380888	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+Na+K"	61.952376
"1675221"	342.111088	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Na+K"	61.952376
"260647"	1308.555368	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+ACN+Na"	64.015768
"1234446"	686.285568	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+ACN+Na"	64.015768
"1720053"	686.309093	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+NH4+HCOOH"	64.039293
"1189785"	230.412484666667	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+3Na"	68.967654
"1664307"	691.264488	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Na+HCOOH"	68.994688
"171051"	1321.45864	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+2K-H"	76.91904
"609029"	1943.72844	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+2K-H"	76.91904
"1098640"	699.18884	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2K-H"	76.91904
"151812"	661.232958	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"2M+2K"	77.926316
"592832"	972.367858	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"3M+2K"	77.926316
"1081718"	350.098058	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2K"	77.926316
"1105817"	701.203392	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2K+H"	78.933592
"1347669"	701.291007	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+DMSO+H"	79.021207
"1014011"	705.330176	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2ACN+H"	83.060376
"1535418"	706.323808	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+IsoProp+Na+H"	84.054008
"1001499"	353.168726	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+2ACN+2H"	84.067652
"1601470"	707.238428	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+K+HCOOH"	84.968628
"1418745"	737.269938	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+H+CF3COOH"	115.000138
"1153408"	373.682001	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+3ACN+2H"	125.094202
"1705149"	754.296485	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+NH4+CF3COOH"	132.026685
"1636426"	759.25188	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+Na+CF3COOH"	136.98208
"1585200"	775.22582	"C05346"	"Allosamidine"	"C25H42N4O14"	"622.2698"	"M+K+CF3COOH"	152.95602
"805726"	331.1332	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M"	0
"975975"	312.11481	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-H2O-H"	-19.01839
"76251"	219.748190666667	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M-3H"	-3.021828
"518003"	330.125924	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M-3H"	-3.021828
"892888"	109.370457333333	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-3H"	-3.021828
"7817"	330.125924	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M-2H"	-2.014552
"455527"	495.692524	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M-2H"	-2.014552
"829556"	164.559324	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-2H"	-2.014552
"87358"	661.259124	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M-H"	-1.007276
"528012"	992.392324	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M-H"	-1.007276
"902533"	330.125924	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-H"	-1.007276
"55817"	678.285671	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M-2H+NH4"	16.019271
"495013"	1009.418871	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M-2H+NH4"	16.019271
"869898"	347.152471	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-2H+NH4"	16.019271
"35611"	683.241066	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M-2H+Na"	20.974666
"476268"	1014.374266	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M-2H+Na"	20.974666
"856257"	352.107866	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-2H+Na"	20.974666
"1631257"	352.107866	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Na-2H"	20.974666
"102320"	348.114263	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M-H+Cl"	33.962126
"548076"	513.680863	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M-H+Cl"	33.962126
"941957"	182.547663	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-H+Cl"	33.962126
"282218"	697.235802	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+Cl"	34.969402
"674760"	1028.369002	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+Cl"	34.969402
"1285340"	366.102602	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Cl"	34.969402
"25711"	699.215006	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M-2H+K"	36.948606
"465273"	1030.348206	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M-2H+K"	36.948606
"838700"	368.081806	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-2H+K"	36.948606
"1562190"	368.081806	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+K-2H"	36.948606
"948982"	376.131394	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-H+HCOOH"	44.998194
"368290"	707.264601	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+HCOOH-H"	44.998201
"352175"	721.280251	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+Hac-H"	59.013851
"1501006"	390.147051	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Hac-H"	59.013851
"965267"	398.113351	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-H+NaCOOH"	66.980151
"113080"	366.102602	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+2Cl"	69.938804
"553734"	531.669202	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+2Cl"	69.938804
"1028000"	200.536002	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2Cl"	69.938804
"1244297"	410.052085	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Br"	78.918885
"1306381"	412.108072	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Cl+HCOOH"	80.974872
"1321810"	434.090029	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Cl+NaCOOH"	102.956829
"912748"	444.118786	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M-H+CF3COOH"	112.985586
"1292010"	480.095464	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Cl+CF3COOH"	148.962264
"1369075"	296.120524	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H-2H2O"	-35.012676
"1386578"	314.1305	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H-H2O"	-17.0027
"287360"	663.273676	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+H"	1.007276
"681967"	994.406876	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+H"	1.007276
"1352846"	332.140476	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H"	1.007276
"131204"	332.140476	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+2H"	2.014552
"579160"	497.707076	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+2H"	2.014552
"1051119"	166.573876	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2H"	2.014552
"214043"	221.762742666667	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+3H"	3.021828
"653603"	332.140476	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+3H"	3.021828
"1170634"	111.385009333333	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+3H"	3.021828
"439012"	680.300223	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+NH4"	18.033823
"789796"	1011.433423	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+NH4"	18.033823
"1688678"	349.167023	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+NH4"	18.033823
"336230"	340.6537495	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+H+NH4"	19.041099
"731932"	506.2203495	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+H+NH4"	19.041099
"1482471"	175.0871495	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H+NH4"	19.041099
"397867"	685.255618	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+Na"	22.989218
"757768"	1016.388818	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+Na"	22.989218
"1603317"	354.122418	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Na"	22.989218
"319184"	343.131447	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+H+Na"	23.996494
"708812"	508.698047	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+H+Na"	23.996494
"1464336"	177.564847	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H+Na"	23.996494
"1053449"	118.712323333333	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2H+Na"	25.00377
"1259990"	364.166686	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+CH3OH+H"	33.033486
"385493"	701.229558	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+K"	38.963158
"746489"	1032.362758	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+K"	38.963158
"1543439"	370.096358	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+K"	38.963158
"310093"	351.118417	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+H+K"	39.970434
"702516"	516.685017	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+H+K"	39.970434
"1459983"	185.551817	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H+K"	39.970434
"250771"	704.300226	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+ACN+H"	42.033826
"1213276"	373.167026	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+ACN+H"	42.033826
"1200440"	187.087151	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+ACN+2H"	43.041102
"193311"	707.23756	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+2Na-H"	44.97116
"633964"	1038.37076	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+2Na-H"	44.97116
"1136378"	376.10436	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2Na-H"	44.97116
"176388"	354.122418	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+2Na"	45.978436
"617042"	519.689018	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+2Na"	45.978436
"1124920"	188.555818	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2Na"	45.978436
"1409537"	126.039637333333	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H+2Na"	46.985712
"1443842"	378.145946	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H+HCOOH"	47.012746
"230987"	359.15544	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+3H2O+2H"	56.04448
"1518320"	392.19799	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+IsoProp+H"	61.06479
"421651"	362.109388	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+Na+K"	61.952376
"783011"	527.675988	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+Na+K"	61.952376
"1676424"	196.542788	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Na+K"	61.952376
"261849"	726.282168	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+ACN+Na"	64.015768
"1233463"	395.148968	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+ACN+Na"	64.015768
"1720163"	395.172493	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+NH4+HCOOH"	64.039293
"1190988"	133.366951333333	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+3Na"	68.967654
"1664905"	400.127888	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Na+HCOOH"	68.994688
"171397"	739.18544	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+2K-H"	76.91904
"611686"	1070.31864	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+2K-H"	76.91904
"1097655"	408.05224	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2K-H"	76.91904
"151923"	370.096358	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"2M+2K"	77.926316
"592213"	535.662958	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"3M+2K"	77.926316
"1080006"	204.529758	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2K"	77.926316
"1104834"	410.066792	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2K+H"	78.933592
"1346686"	410.154407	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+DMSO+H"	79.021207
"1014121"	414.193576	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2ACN+H"	83.060376
"1535528"	415.187208	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+IsoProp+Na+H"	84.054008
"1000880"	207.600426	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+2ACN+2H"	84.067652
"1600487"	416.101828	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+K+HCOOH"	84.968628
"1419948"	446.133338	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+H+CF3COOH"	115.000138
"1153518"	228.113701	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+3ACN+2H"	125.094202
"1705259"	463.159885	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+NH4+CF3COOH"	132.026685
"1636536"	468.11528	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+Na+CF3COOH"	136.98208
"1585310"	484.08922	"C05349"	"Ciprofloxacin"	"C17H18FN3O3"	"331.1332"	"M+K+CF3COOH"	152.95602
"809116"	180.0423	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M"	0
"981553"	161.02391	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-H2O-H"	-19.01839
"68704"	119.020924	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M-3H"	-3.021828
"515925"	179.035024	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M-3H"	-3.021828
"892633"	59.006824	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-3H"	-3.021828
"9020"	179.035024	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M-2H"	-2.014552
"454414"	269.056174	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M-2H"	-2.014552
"829666"	89.013874	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-2H"	-2.014552
"86375"	359.077324	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M-H"	-1.007276
"527028"	539.119624	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M-H"	-1.007276
"902643"	179.035024	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-H"	-1.007276
"55927"	376.103871	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M-2H+NH4"	16.019271
"496580"	556.146171	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M-2H+NH4"	16.019271
"873290"	196.061571	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-2H+NH4"	16.019271
"39002"	381.059266	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M-2H+Na"	20.974666
"485125"	561.101566	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M-2H+Na"	20.974666
"860376"	201.016966	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-2H+Na"	20.974666
"1631733"	201.016966	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Na-2H"	20.974666
"103523"	197.023363	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M-H+Cl"	33.962126
"548552"	287.044513	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M-H+Cl"	33.962126
"942313"	107.002213	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-H+Cl"	33.962126
"282450"	395.054002	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+Cl"	34.969402
"674019"	575.096302	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+Cl"	34.969402
"1287032"	215.011702	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Cl"	34.969402
"26913"	397.033206	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M-2H+K"	36.948606
"466476"	577.075506	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M-2H+K"	36.948606
"844277"	216.990906	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-2H+K"	36.948606
"1561207"	216.990906	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+K-2H"	36.948606
"949092"	225.040494	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-H+HCOOH"	44.998194
"370587"	405.082801	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+HCOOH-H"	44.998201
"353379"	419.098451	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+Hac-H"	59.013851
"1502209"	239.056151	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Hac-H"	59.013851
"966469"	247.022451	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-H+NaCOOH"	66.980151
"114283"	215.011702	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+2Cl"	69.938804
"558217"	305.032852	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+2Cl"	69.938804
"1029203"	124.990552	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2Cl"	69.938804
"1249876"	258.961185	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Br"	78.918885
"1309044"	261.017172	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Cl+HCOOH"	80.974872
"1321433"	282.999129	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Cl+NaCOOH"	102.956829
"912617"	293.027886	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M-H+CF3COOH"	112.985586
"1292120"	329.004564	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Cl+CF3COOH"	148.962264
"1369551"	145.029624	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H-2H2O"	-35.012676
"1386688"	163.0396	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H-H2O"	-17.0027
"288563"	361.091876	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+H"	1.007276
"682077"	541.134176	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+H"	1.007276
"1354049"	181.049576	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H"	1.007276
"132407"	181.049576	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+2H"	2.014552
"581092"	271.070726	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+2H"	2.014552
"1051956"	91.028426	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2H"	2.014552
"219373"	121.035476	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+3H"	3.021828
"658083"	181.049576	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+3H"	3.021828
"1176212"	61.021376	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+3H"	3.021828
"438391"	378.118423	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+NH4"	18.033823
"798292"	558.160723	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+NH4"	18.033823
"1689156"	198.076123	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+NH4"	18.033823
"340714"	189.5628495	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+H+NH4"	19.041099
"733136"	279.5839995	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+H+NH4"	19.041099
"1484768"	99.5416995	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H+NH4"	19.041099
"400163"	383.073818	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+Na"	22.989218
"757879"	563.116118	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+Na"	22.989218
"1607072"	203.031518	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Na"	22.989218
"320388"	192.040547	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+H+Na"	23.996494
"712810"	282.061697	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+H+Na"	23.996494
"1465539"	102.019397	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H+Na"	23.996494
"1054776"	68.34869	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2H+Na"	25.00377
"1260465"	213.075786	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+CH3OH+H"	33.033486
"385602"	399.047758	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+K"	38.963158
"745505"	579.090058	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+K"	38.963158
"1547558"	219.005458	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+K"	38.963158
"311295"	200.027517	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+H+K"	39.970434
"703720"	290.048667	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+H+K"	39.970434
"1460787"	110.006367	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H+K"	39.970434
"250883"	402.118426	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+ACN+H"	42.033826
"1214477"	222.076126	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+ACN+H"	42.033826
"1201643"	111.541701	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+ACN+2H"	43.041102
"197791"	405.05576	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+2Na-H"	44.97116
"634074"	585.09806	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+2Na-H"	44.97116
"1134666"	225.01346	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2Na-H"	44.97116
"177589"	203.031518	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+2Na"	45.978436
"620431"	293.052668	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+2Na"	45.978436
"1122843"	113.010368	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2Na"	45.978436
"1409646"	75.676004	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H+2Na"	46.985712
"1440670"	227.055046	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H+HCOOH"	47.012746
"231095"	208.06454	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+3H2O+2H"	56.04448
"1519159"	241.10709	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+IsoProp+H"	61.06479
"420667"	211.018488	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+Na+K"	61.952376
"779838"	301.039638	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+Na+K"	61.952376
"1677627"	120.997338	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Na+K"	61.952376
"263418"	424.100368	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+ACN+Na"	64.015768
"1232480"	244.058068	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+ACN+Na"	64.015768
"1721365"	244.081593	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+NH4+HCOOH"	64.039293
"1192191"	83.003318	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+3Na"	68.967654
"1665378"	249.036988	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Na+HCOOH"	68.994688
"172235"	437.00364	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+2K-H"	76.91904
"612363"	617.04594	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+2K-H"	76.91904
"1096307"	256.96134	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2K-H"	76.91904
"152034"	219.005458	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"2M+2K"	77.926316
"592688"	309.026608	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"3M+2K"	77.926316
"1080846"	128.984308	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2K"	77.926316
"1103846"	258.975892	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2K+H"	78.933592
"1342417"	259.063507	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+DMSO+H"	79.021207
"1010947"	263.102676	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2ACN+H"	83.060376
"1536731"	264.096308	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+IsoProp+Na+H"	84.054008
"1004273"	132.054976	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+2ACN+2H"	84.067652
"1602303"	265.010928	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+K+HCOOH"	84.968628
"1423338"	295.042438	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+H+CF3COOH"	115.000138
"1154721"	152.568251	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+3ACN+2H"	125.094202
"1705369"	312.068985	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+NH4+CF3COOH"	132.026685
"1635552"	317.02438	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+Na+CF3COOH"	136.98208
"1585420"	332.99832	"C05350"	"2-Hydroxy-3-(4-hydroxyphenyl)propenoate;4-Hydroxy-enol-phenylpyruvate"	"C9H8O4"	"180.0423"	"M+K+CF3COOH"	152.95602
"809226"	229.062	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M"	0
"975466"	210.04361	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-H2O-H"	-19.01839
"68814"	151.700724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M-3H"	-3.021828
"512755"	228.054724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M-3H"	-3.021828
"892015"	75.346724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-3H"	-3.021828
"11317"	228.054724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M-2H"	-2.014552
"450515"	342.585724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M-2H"	-2.014552
"818837"	113.523724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-2H"	-2.014552
"78867"	457.116724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M-H"	-1.007276
"519847"	686.178724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M-H"	-1.007276
"899473"	228.054724	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-H"	-1.007276
"47241"	474.143271	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M-2H+NH4"	16.019271
"494503"	703.205271	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M-2H+NH4"	16.019271
"865744"	245.081271	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-2H+NH4"	16.019271
"32549"	479.098666	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M-2H+Na"	20.974666
"476487"	708.160666	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M-2H+Na"	20.974666
"855381"	250.036666	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-2H+Na"	20.974666
"1628198"	250.036666	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Na-2H"	20.974666
"101446"	246.043063	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M-H+Cl"	33.962126
"548176"	360.574063	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M-H+Cl"	33.962126
"936710"	131.512063	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-H+Cl"	33.962126
"280370"	493.093402	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+Cl"	34.969402
"669875"	722.155402	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+Cl"	34.969402
"1285561"	264.031402	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Cl"	34.969402
"24837"	495.072606	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M-2H+K"	36.948606
"464399"	724.134606	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M-2H+K"	36.948606
"846574"	266.010606	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-2H+K"	36.948606
"1561317"	266.010606	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+K-2H"	36.948606
"949202"	274.060194	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-H+HCOOH"	44.998194
"371790"	503.122201	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+HCOOH-H"	44.998201
"349115"	517.137851	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+Hac-H"	59.013851
"1501226"	288.075851	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Hac-H"	59.013851
"962206"	296.042151	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-H+NaCOOH"	66.980151
"112206"	264.031402	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+2Cl"	69.938804
"557234"	378.562402	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+2Cl"	69.938804
"1029313"	149.500402	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2Cl"	69.938804
"1248893"	307.980885	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Br"	78.918885
"1308061"	310.036872	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Cl+HCOOH"	80.974872
"1321543"	332.018829	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Cl+NaCOOH"	102.956829
"911998"	342.047586	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M-H+CF3COOH"	112.985586
"1293324"	378.024264	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Cl+CF3COOH"	148.962264
"1370755"	194.049324	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H-2H2O"	-35.012676
"1386798"	212.0593	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H-H2O"	-17.0027
"289766"	459.131276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+H"	1.007276
"682187"	688.193276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+H"	1.007276
"1353066"	230.069276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H"	1.007276
"133610"	230.069276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+2H"	2.014552
"575365"	344.600276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+2H"	2.014552
"1051094"	115.538276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2H"	2.014552
"216808"	153.715276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+3H"	3.021828
"656007"	230.069276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+3H"	3.021828
"1175956"	77.361276	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+3H"	3.021828
"437406"	476.157823	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+NH4"	18.033823
"796216"	705.219823	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+NH4"	18.033823
"1690358"	247.095823	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+NH4"	18.033823
"339730"	238.5825495	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+H+NH4"	19.041099
"733246"	353.1135495	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+H+NH4"	19.041099
"1485973"	124.0515495	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H+NH4"	19.041099
"401368"	481.113218	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+Na"	22.989218
"757989"	710.175218	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+Na"	22.989218
"1608275"	252.051218	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Na"	22.989218
"322685"	241.060247	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+H+Na"	23.996494
"711827"	355.591247	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+H+Na"	23.996494
"1464556"	126.529247	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H+Na"	23.996494
"1054886"	84.68859	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2H+Na"	25.00377
"1260575"	262.095486	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+CH3OH+H"	33.033486
"382433"	497.087158	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+K"	38.963158
"745615"	726.149158	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+K"	38.963158
"1546575"	268.025158	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+K"	38.963158
"310313"	249.047217	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+H+K"	39.970434
"702736"	363.578217	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+H+K"	39.970434
"1461095"	134.516217	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H+K"	39.970434
"249168"	500.157826	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+ACN+H"	42.033826
"1214589"	271.095826	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+ACN+H"	42.033826
"1201753"	136.051551	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+ACN+2H"	43.041102
"194624"	503.09516	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+2Na-H"	44.97116
"631998"	732.15716	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+2Na-H"	44.97116
"1135505"	274.03316	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2Na-H"	44.97116
"179887"	252.051218	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+2Na"	45.978436
"620541"	366.582218	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+2Na"	45.978436
"1125140"	137.520218	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2Na"	45.978436
"1409756"	92.015904	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H+2Na"	46.985712
"1438593"	276.074746	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H+HCOOH"	47.012746
"230112"	257.08424	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+3H2O+2H"	56.04448
"1521456"	290.12679	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+IsoProp+H"	61.06479
"419683"	260.038188	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+Na+K"	61.952376
"781405"	374.569188	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+Na+K"	61.952376
"1674456"	145.507188	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Na+K"	61.952376
"257696"	522.139768	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+ACN+Na"	64.015768
"1232590"	293.077768	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+ACN+Na"	64.015768
"1721475"	293.101293	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+NH4+HCOOH"	64.039293
"1193030"	99.343218	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+3Na"	68.967654
"1665554"	298.056688	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Na+HCOOH"	68.994688
"171618"	535.04304	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+2K-H"	76.91904
"611176"	764.10504	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+2K-H"	76.91904
"1095688"	305.98104	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2K-H"	76.91904
"148865"	268.025158	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"2M+2K"	77.926316
"592434"	382.556158	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"3M+2K"	77.926316
"1083757"	153.494158	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2K"	77.926316
"1101159"	307.995592	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2K+H"	78.933592
"1339247"	308.083207	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+DMSO+H"	79.021207
"1008870"	312.122376	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2ACN+H"	83.060376
"1531373"	313.116008	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+IsoProp+Na+H"	84.054008
"1004019"	156.564826	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+2ACN+2H"	84.067652
"1599979"	314.030628	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+K+HCOOH"	84.968628
"1423448"	344.062138	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+H+CF3COOH"	115.000138
"1153737"	177.078101	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+3ACN+2H"	125.094202
"1702199"	361.088685	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+NH4+CF3COOH"	132.026685
"1636755"	366.04408	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+Na+CF3COOH"	136.98208
"1585530"	382.01802	"C05353"	"TES;N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid"	"C6H15NO6S"	"229.062"	"M+K+CF3COOH"	152.95602
"811524"	55.0548	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M"	0
"987244"	36.03641	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-H2O-H"	-19.01839
"68924"	35.695924	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M-3H"	-3.021828
"512867"	54.047524	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M-3H"	-3.021828
"893583"	17.344324	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-3H"	-3.021828
"11427"	54.047524	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M-2H"	-2.014552
"448802"	81.574924	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M-2H"	-2.014552
"822234"	26.520124	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-2H"	-2.014552
"89880"	109.102324	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M-H"	-1.007276
"525066"	164.157124	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M-H"	-1.007276
"903962"	54.047524	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-H"	-1.007276
"58336"	126.128871	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M-2H+NH4"	16.019271
"496802"	181.183671	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M-2H+NH4"	16.019271
"875699"	71.074071	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-2H+NH4"	16.019271
"39226"	131.084266	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M-2H+Na"	20.974666
"479878"	186.139066	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M-2H+Na"	20.974666
"857680"	76.029466	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-2H+Na"	20.974666
"1631591"	76.029466	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Na-2H"	20.974666
"104838"	72.035863	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M-H+Cl"	33.962126
"548895"	99.563263	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M-H+Cl"	33.962126
"937917"	44.508463	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-H+Cl"	33.962126
"278659"	145.079002	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+Cl"	34.969402
"672174"	200.133802	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+Cl"	34.969402
"1283484"	90.024202	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Cl"	34.969402
"26039"	147.058206	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M-2H+K"	36.948606
"464506"	202.113006	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M-2H+K"	36.948606
"840119"	92.003406	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-2H+K"	36.948606
"1561430"	92.003406	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+K-2H"	36.948606
"953687"	100.052994	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-H+HCOOH"	44.998194
"372997"	155.107801	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+HCOOH-H"	44.998201
"356879"	169.123451	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+Hac-H"	59.013851
"1501338"	114.068651	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Hac-H"	59.013851
"971066"	122.034951	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-H+NaCOOH"	66.980151
"114506"	90.024202	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+2Cl"	69.938804
"561719"	117.551602	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+2Cl"	69.938804
"1030516"	62.496802	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2Cl"	69.938804
"1250826"	133.973685	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Br"	78.918885
"1309265"	136.029672	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Cl+HCOOH"	80.974872
"1325669"	158.011629	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Cl+NaCOOH"	102.956829
"916726"	168.040386	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M-H+CF3COOH"	112.985586
"1293434"	204.017064	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Cl+CF3COOH"	148.962264
"1370136"	20.042124	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H-2H2O"	-35.012676
"1388004"	38.0521	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H-H2O"	-17.0027
"288784"	111.116876	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+H"	1.007276
"687767"	166.171676	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+H"	1.007276
"1358647"	56.062076	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H"	1.007276
"131538"	56.062076	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+2H"	2.014552
"571098"	83.589476	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+2H"	2.014552
"1051206"	28.534676	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2H"	2.014552
"217649"	37.710476	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+3H"	3.021828
"657214"	56.062076	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+3H"	3.021828
"1175339"	19.358876	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+3H"	3.021828
"435330"	128.143423	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+NH4"	18.033823
"796325"	183.198223	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+NH4"	18.033823
"1689376"	73.088623	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+NH4"	18.033823
"339839"	64.5753495	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+H+NH4"	19.041099
"731166"	92.1027495	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+H+NH4"	19.041099
"1480615"	37.0479495	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H+NH4"	19.041099
"397105"	133.098818	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+Na"	22.989218
"760292"	188.153618	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+Na"	22.989218
"1606203"	78.044018	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Na"	22.989218
"317331"	67.053047	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+H+Na"	23.996494
"711941"	94.580447	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+H+Na"	23.996494
"1462844"	39.525647	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H+Na"	23.996494
"1055727"	26.68619	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2H+Na"	25.00377
"1260687"	88.088286	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+CH3OH+H"	33.033486
"382543"	149.072758	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+K"	38.963158
"750100"	204.127558	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+K"	38.963158
"1552153"	94.017958	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+K"	38.963158
"312612"	75.040017	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+H+K"	39.970434
"705642"	102.567417	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+H+K"	39.970434
"1461281"	47.512617	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H+K"	39.970434
"249642"	152.143426	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+ACN+H"	42.033826
"1212877"	97.088626	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+ACN+H"	42.033826
"1199676"	49.047951	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+ACN+2H"	43.041102
"196194"	155.08076	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+2Na-H"	44.97116
"634296"	210.13556	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+2Na-H"	44.97116
"1142178"	100.02596	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2Na-H"	44.97116
"179271"	78.044018	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+2Na"	45.978436
"627214"	105.571418	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+2Na"	45.978436
"1130238"	50.516618	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2Na"	45.978436
"1412053"	34.013504	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H+2Na"	46.985712
"1442719"	102.067546	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H+HCOOH"	47.012746
"233868"	83.07704	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+3H2O+2H"	56.04448
"1522665"	116.11959	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+IsoProp+H"	61.06479
"422347"	86.030988	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+Na+K"	61.952376
"782610"	113.558388	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+Na+K"	61.952376
"1678577"	58.503588	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Na+K"	61.952376
"259992"	174.125368	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+ACN+Na"	64.015768
"1234886"	119.070568	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+ACN+Na"	64.015768
"1719397"	119.094093	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+NH4+HCOOH"	64.039293
"1190222"	41.340818	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+3Na"	68.967654
"1664501"	124.049488	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Na+HCOOH"	68.994688
"171731"	187.02864	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+2K-H"	76.91904
"610196"	242.08344	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+2K-H"	76.91904
"1097990"	131.97384	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2K-H"	76.91904
"147882"	94.017958	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"2M+2K"	77.926316
"592910"	121.545358	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"3M+2K"	77.926316
"1080702"	66.490558	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2K"	77.926316
"1105162"	133.988392	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2K+H"	78.933592
"1339360"	134.076007	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+DMSO+H"	79.021207
"1011168"	138.115176	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2ACN+H"	83.060376
"1531119"	139.108808	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+IsoProp+Na+H"	84.054008
"997931"	69.561226	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+2ACN+2H"	84.067652
"1599358"	140.023428	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+K+HCOOH"	84.968628
"1423562"	170.054938	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+H+CF3COOH"	115.000138
"1148381"	90.074501	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+3ACN+2H"	125.094202
"1709967"	187.081485	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+NH4+CF3COOH"	132.026685
"1643428"	192.03688	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+Na+CF3COOH"	136.98208
"1585640"	208.01082	"C05354"	"Cyclopropylcarbinyl cation"	"C4H7"	"55.0548"	"M+K+CF3COOH"	152.95602
"812726"	336.2301	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M"	0
"978603"	317.21171	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"72314"	223.146124	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"517228"	335.222824	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"892963"	111.069424	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"11537"	335.222824	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"448912"	503.337874	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"823438"	167.107774	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"86708"	671.452924	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"527361"	1007.683024	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"907352"	335.222824	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"60272"	688.479471	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"499099"	1024.709571	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"877632"	352.249371	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"44926"	693.434866	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"479988"	1029.664966	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"861070"	357.204766	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1630610"	357.204766	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"107864"	353.211163	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"548398"	521.326213	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"936933"	185.096113	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"278769"	707.429602	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"666817"	1043.659702	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1286874"	371.199502	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"27242"	709.408806	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"464616"	1045.638906	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"843509"	373.178706	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1564820"	373.178706	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"956838"	381.228294	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"371650"	717.458401	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"359907"	731.474051	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1503271"	395.243951	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"970447"	403.210251	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"121176"	371.199502	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"561829"	539.314552	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1031721"	203.084452	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1251300"	415.148985	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1311562"	417.204972	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1325779"	439.186929	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"921210"	449.215686	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1299012"	485.192364	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1372434"	301.217424	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1387020"	319.2274	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"287800"	673.467476	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"686784"	1009.697576	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1357664"	337.237376	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"132741"	337.237376	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"572300"	505.352426	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1048397"	169.122326	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"215203"	225.160676	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"654037"	337.237376	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1172166"	113.083976	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"435439"	690.494023	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"796431"	1026.724123	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1690577"	354.263923	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"333386"	345.7506495	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"727995"	513.8656995	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1478903"	177.6355995	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"394300"	695.449418	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"763682"	1031.679518	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1606313"	359.219318	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"316349"	348.228347	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"708771"	516.343397	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1464780"	180.113297	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1058024"	120.41129	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1267359"	369.263586	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"382653"	711.423358	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"751670"	1047.653458	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1552994"	375.193258	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"311628"	356.215317	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"706851"	524.330367	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1460059"	188.100267	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"249389"	714.494026	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1214808"	378.263926	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1200881"	189.635601	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"200314"	717.43136	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"636592"	1053.66146	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1140101"	381.20126	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"179016"	359.219318	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"627326"	527.334368	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1130957"	191.104268	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1413745"	127.738604	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1445015"	383.242846	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"234344"	364.25234	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1519855"	397.29489	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"422092"	367.206288	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"781626"	535.321338	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1678323"	199.091238	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"263381"	736.475968	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1237183"	400.245868	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1721694"	400.269393	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1191425"	135.065918	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1662416"	405.224788	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"170020"	749.37924	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"608485"	1085.60934	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1098100"	413.14914	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"153458"	375.193258	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"594601"	543.308308	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1080813"	207.078208	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1105273"	415.163692	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1337038"	415.251307	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1009092"	419.290476	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1527218"	420.284108	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"995856"	210.148876	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1595826"	421.198728	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1424762"	451.230238	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1156143"	230.662151	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1710077"	468.256785	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1642445"	473.21218	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1577002"	489.18612	"C05356"	"5(S)-HPETE;5(S)-Hydroperoxy-6-trans-81114-cis-eicosatetraenoic acid;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoate;(6E8Z11Z14Z)-(5S)-5-Hydroperoxyeicosa-681114-tetraenoic acid;(5S6E8Z11Z14Z)-5-Hydroperoxyicosa-681114-tetraenoate"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"816799"	30.0218	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M"	0
"982003"	11.00341	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-H2O-H"	-19.01839
"70246"	19.0072573333333	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M-3H"	-3.021828
"510900"	29.014524	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M-3H"	-3.021828
"894171"	8.99999066666667	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-3H"	-3.021828
"7277"	29.014524	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M-2H"	-2.014552
"451213"	44.025424	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M-2H"	-2.014552
"827920"	14.003624	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-2H"	-2.014552
"89005"	59.036324	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M-H"	-1.007276
"528567"	89.058124	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M-H"	-1.007276
"910622"	29.014524	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-H"	-1.007276
"58559"	76.062871	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M-2H+NH4"	16.019271
"500305"	106.084671	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M-2H+NH4"	16.019271
"875921"	46.041071	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-2H+NH4"	16.019271
"44914"	81.018266	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M-2H+Na"	20.974666
"473904"	111.040066	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M-2H+Na"	20.974666
"850975"	50.996466	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-2H+Na"	20.974666
"1621970"	50.996466	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Na-2H"	20.974666
"96676"	47.002863	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M-H+Cl"	33.962126
"535872"	62.013763	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M-H+Cl"	33.962126
"928294"	31.991963	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-H+Cl"	33.962126
"269036"	95.013002	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+Cl"	34.969402
"663648"	125.034802	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+Cl"	34.969402
"1279332"	64.991202	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Cl"	34.969402
"22984"	96.992206	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M-2H+K"	36.948606
"464734"	127.014006	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M-2H+K"	36.948606
"843630"	66.970406	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-2H+K"	36.948606
"1568942"	66.970406	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+K-2H"	36.948606
"956460"	75.019994	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-H+HCOOH"	44.998194
"374677"	105.041801	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+HCOOH-H"	44.998201
"359288"	119.057451	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+Hac-H"	59.013851
"1503745"	89.035651	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Hac-H"	59.013851
"968005"	97.001951	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-H+NaCOOH"	66.980151
"118006"	64.991202	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+2Cl"	69.938804
"555380"	80.002102	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+2Cl"	69.938804
"1028553"	49.980302	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2Cl"	69.938804
"1248130"	108.940685	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Br"	78.918885
"1310580"	110.996672	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Cl+HCOOH"	80.974872
"1323702"	132.978629	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Cl+NaCOOH"	102.956829
"919133"	143.007386	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M-H+CF3COOH"	112.985586
"1294749"	178.984064	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Cl+CF3COOH"	148.962264
"1369631"	-4.990876	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H-2H2O"	-35.012676
"1386034"	13.0191	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H-H2O"	-17.0027
"283656"	61.050876	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+H"	1.007276
"678147"	91.072676	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+H"	1.007276
"1356683"	31.029076	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H"	1.007276
"132849"	31.029076	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+2H"	2.014552
"573508"	46.039976	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+2H"	2.014552
"1048875"	16.018176	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2H"	2.014552
"207300"	21.0218093333333	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+3H"	3.021828
"647590"	31.029076	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+3H"	3.021828
"1171184"	11.0145426666667	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+3H"	3.021828
"428985"	78.077423	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+NH4"	18.033823
"787427"	108.099223	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+NH4"	18.033823
"1683764"	48.055623	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+NH4"	18.033823
"334598"	39.5423495	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+H+NH4"	19.041099
"727016"	54.5532495	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+H+NH4"	19.041099
"1481930"	24.5314495	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H+NH4"	19.041099
"399516"	83.032818	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+Na"	22.989218
"763792"	113.054618	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+Na"	22.989218
"1607517"	53.011018	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Na"	22.989218
"319740"	42.020047	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+H+Na"	23.996494
"712161"	57.030947	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+H+Na"	23.996494
"1462700"	27.009147	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H+Na"	23.996494
"1058136"	18.3418566666667	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2H+Na"	25.00377
"1263093"	63.055286	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+CH3OH+H"	33.033486
"388597"	99.006758	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+K"	38.963158
"744852"	129.028558	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+K"	38.963158
"1552374"	68.984958	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+K"	38.963158
"310646"	50.007017	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+H+K"	39.970434
"706555"	65.017917	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+H+K"	39.970434
"1452513"	34.996117	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H+K"	39.970434
"245488"	102.077426	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+ACN+H"	42.033826
"1217103"	72.055626	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+ACN+H"	42.033826
"1202081"	36.531451	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+ACN+2H"	43.041102
"199327"	105.01476	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+2Na-H"	44.97116
"634882"	135.03656	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+2Na-H"	44.97116
"1140576"	74.99296	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2Na-H"	44.97116
"177665"	53.011018	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+2Na"	45.978436
"626339"	68.021918	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+2Na"	45.978436
"1129481"	38.000118	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2Na"	45.978436
"1412647"	25.6691706666667	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H+2Na"	46.985712
"1444394"	77.034546	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H+HCOOH"	47.012746
"234089"	58.04404	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+3H2O+2H"	56.04448
"1522516"	91.08659	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+IsoProp+H"	61.06479
"422937"	60.997988	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+Na+K"	61.952376
"784413"	76.008888	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+Na+K"	61.952376
"1680989"	45.987088	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Na+K"	61.952376
"266295"	124.059368	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+ACN+Na"	64.015768
"1238763"	94.037568	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+ACN+Na"	64.015768
"1725830"	94.061093	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+NH4+HCOOH"	64.039293
"1187174"	32.9964846666667	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+3Na"	68.967654
"1659983"	99.016488	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Na+HCOOH"	68.994688
"163931"	136.96264	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+2K-H"	76.91904
"608230"	166.98444	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+2K-H"	76.91904
"1091285"	106.94084	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2K-H"	76.91904
"145912"	68.984958	"C05360"	"Diimine"	"N2H2"	"30.0218"	"2M+2K"	77.926316
"584380"	83.995858	"C05360"	"Diimine"	"N2H2"	"30.0218"	"3M+2K"	77.926316
"1072171"	53.974058	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2K"	77.926316
"1100108"	108.955392	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2K+H"	78.933592
"1338485"	109.043007	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+DMSO+H"	79.021207
"1007134"	113.082176	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2ACN+H"	83.060376
"1525016"	114.075808	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+IsoProp+Na+H"	84.054008
"995962"	57.044726	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+2ACN+2H"	84.067652
"1592653"	114.990428	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+K+HCOOH"	84.968628
"1417583"	145.021938	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+H+CF3COOH"	115.000138
"1155167"	77.558001	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+3ACN+2H"	125.094202
"1705811"	162.048485	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+NH4+CF3COOH"	132.026685
"1644743"	167.00388	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+Na+CF3COOH"	136.98208
"1585861"	182.97782	"C05360"	"Diimine"	"N2H2"	"30.0218"	"M+K+CF3COOH"	152.95602
"811861"	32.0374	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M"	0
"981020"	13.01901	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-H2O-H"	-19.01839
"67076"	20.3509906666667	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M-3H"	-3.021828
"506636"	31.030124	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M-3H"	-3.021828
"887718"	9.67185733333333	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-3H"	-3.021828
"2282"	31.030124	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M-2H"	-2.014552
"444761"	47.048824	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M-2H"	-2.014552
"821466"	15.011424	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-2H"	-2.014552
"79025"	63.067524	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M-H"	-1.007276
"521023"	95.104924	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M-H"	-1.007276
"902105"	31.030124	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-H"	-1.007276
"58667"	80.094071	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M-2H+NH4"	16.019271
"493853"	112.131471	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M-2H+NH4"	16.019271
"877124"	48.056671	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-2H+NH4"	16.019271
"42836"	85.049466	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M-2H+Na"	20.974666
"474745"	117.086866	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M-2H+Na"	20.974666
"850719"	53.012066	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-2H+Na"	20.974666
"1622080"	53.012066	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Na-2H"	20.974666
"95086"	49.018463	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M-H+Cl"	33.962126
"535982"	65.037163	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M-H+Cl"	33.962126
"927918"	32.999763	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-H+Cl"	33.962126
"269148"	99.044202	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+Cl"	34.969402
"665945"	131.081602	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+Cl"	34.969402
"1279442"	67.006802	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Cl"	34.969402
"23094"	101.023406	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M-2H+K"	36.948606
"463751"	133.060806	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M-2H+K"	36.948606
"846292"	68.986006	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-2H+K"	36.948606
"1569052"	68.986006	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+K-2H"	36.948606
"957299"	77.035594	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-H+HCOOH"	44.998194
"375514"	109.073001	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+HCOOH-H"	44.998201
"355023"	123.088651	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+Hac-H"	59.013851
"1501668"	91.051251	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Hac-H"	59.013851
"967022"	99.017551	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-H+NaCOOH"	66.980151
"118116"	67.006802	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+2Cl"	69.938804
"555489"	83.025502	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+2Cl"	69.938804
"1024288"	50.988102	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2Cl"	69.938804
"1248240"	110.956285	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Br"	78.918885
"1309597"	113.012272	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Cl+HCOOH"	80.974872
"1323812"	134.994229	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Cl+NaCOOH"	102.956829
"923619"	145.022986	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M-H+CF3COOH"	112.985586
"1294859"	180.999664	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Cl+CF3COOH"	148.962264
"1370834"	-2.975276	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H-2H2O"	-35.012676
"1386144"	15.0347	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H-H2O"	-17.0027
"283645"	65.082076	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+H"	1.007276
"679350"	97.119476	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+H"	1.007276
"1356793"	33.044676	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H"	1.007276
"131866"	33.044676	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+2H"	2.014552
"570331"	49.063376	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+2H"	2.014552
"1044601"	17.025976	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2H"	2.014552
"212504"	22.3655426666667	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+3H"	3.021828
"650971"	33.044676	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+3H"	3.021828
"1169100"	11.6864093333333	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+3H"	3.021828
"425083"	82.108623	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+NH4"	18.033823
"785835"	114.146023	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+NH4"	18.033823
"1684238"	50.071223	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+NH4"	18.033823
"333614"	41.5579495	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+H+NH4"	19.041099
"724573"	57.5766495	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+H+NH4"	19.041099
"1480947"	25.5392495	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H+NH4"	19.041099
"398533"	87.064018	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+Na"	22.989218
"760623"	119.101418	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+Na"	22.989218
"1606534"	55.026618	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Na"	22.989218
"318757"	44.035647	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+H+Na"	23.996494
"711178"	60.054347	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+H+Na"	23.996494
"1467187"	28.016947	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H+Na"	23.996494
"1058246"	19.0137233333333	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2H+Na"	25.00377
"1261017"	65.070886	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+CH3OH+H"	33.033486
"389071"	103.037958	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+K"	38.963158
"747149"	135.075358	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+K"	38.963158
"1550297"	71.000558	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+K"	38.963158
"308569"	52.022617	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+H+K"	39.970434
"705730"	68.041317	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+H+K"	39.970434
"1454809"	36.003917	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H+K"	39.970434
"249973"	106.108626	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+ACN+H"	42.033826
"1220495"	74.071226	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+ACN+H"	42.033826
"1204377"	37.539251	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+ACN+2H"	43.041102
"198343"	109.04596	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+2Na-H"	44.97116
"633898"	141.08336	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+2Na-H"	44.97116
"1135217"	77.00856	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2Na-H"	44.97116
"175225"	55.026618	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+2Na"	45.978436
"626085"	71.045318	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+2Na"	45.978436
"1130891"	39.007918	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2Na"	45.978436
"1413727"	26.3410373333333	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H+2Na"	46.985712
"1444382"	79.050146	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H+HCOOH"	47.012746
"234930"	60.05964	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+3H2O+2H"	56.04448
"1521897"	93.10219	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+IsoProp+H"	61.06479
"423774"	63.013588	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+Na+K"	61.952376
"785129"	79.032288	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+Na+K"	61.952376
"1681248"	46.994888	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Na+K"	61.952376
"266890"	128.090568	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+ACN+Na"	64.015768
"1239114"	96.053168	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+ACN+Na"	64.015768
"1727032"	96.076693	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+NH4+HCOOH"	64.039293
"1188378"	33.6683513333333	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+3Na"	68.967654
"1658271"	101.032088	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Na+HCOOH"	68.994688
"165135"	140.99384	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+2K-H"	76.91904
"609434"	173.03124	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+2K-H"	76.91904
"1091395"	108.95644	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2K-H"	76.91904
"146021"	71.000558	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"2M+2K"	77.926316
"584489"	87.019258	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"3M+2K"	77.926316
"1071551"	54.981858	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2K"	77.926316
"1101114"	110.970992	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2K+H"	78.933592
"1338595"	111.058607	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+DMSO+H"	79.021207
"1006273"	115.097776	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2ACN+H"	83.060376
"1524761"	116.091408	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+IsoProp+Na+H"	84.054008
"994979"	58.052526	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+2ACN+2H"	84.067652
"1589846"	117.006028	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+K+HCOOH"	84.968628
"1415264"	147.037538	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+H+CF3COOH"	115.000138
"1150904"	78.565801	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+3ACN+2H"	125.094202
"1703735"	164.064085	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+NH4+CF3COOH"	132.026685
"1644853"	169.01948	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+Na+CF3COOH"	136.98208
"1585971"	184.99342	"C05361"	"Hydrazine"	"N2H4"	"32.0374"	"M+K+CF3COOH"	152.95602
"815250"	202.0114	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M"	0
"977850"	182.99301	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-H2O-H"	-19.01839
"68280"	133.666990666667	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M-3H"	-3.021828
"503466"	201.004124	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M-3H"	-3.021828
"881268"	66.3298573333333	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-3H"	-3.021828
"2024"	201.004124	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M-2H"	-2.014552
"441584"	302.009824	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M-2H"	-2.014552
"818658"	99.998424	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-2H"	-2.014552
"83750"	403.015524	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M-H"	-1.007276
"522589"	605.026924	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M-H"	-1.007276
"899296"	201.004124	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-H"	-1.007276
"52579"	420.042071	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M-2H+NH4"	16.019271
"493963"	622.053471	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M-2H+NH4"	16.019271
"873953"	218.030671	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-2H+NH4"	16.019271
"42946"	424.997466	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M-2H+Na"	20.974666
"475218"	627.008866	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M-2H+Na"	20.974666
"849736"	222.986066	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-2H+Na"	20.974666
"1622190"	222.986066	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Na-2H"	20.974666
"94584"	218.992463	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M-H+Cl"	33.962126
"536460"	319.998163	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M-H+Cl"	33.962126
"929610"	117.986763	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-H+Cl"	33.962126
"270353"	438.992202	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+Cl"	34.969402
"666055"	641.003602	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+Cl"	34.969402
"1281739"	236.980802	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Cl"	34.969402
"30495"	440.971406	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M-2H+K"	36.948606
"466048"	642.982806	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M-2H+K"	36.948606
"844943"	238.960006	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-2H+K"	36.948606
"1568433"	238.960006	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+K-2H"	36.948606
"956315"	247.009594	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-H+HCOOH"	44.998194
"374531"	449.021001	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+HCOOH-H"	44.998201
"352946"	463.036651	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+Hac-H"	59.013851
"1496311"	261.025251	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Hac-H"	59.013851
"960570"	268.991551	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-H+NaCOOH"	66.980151
"112030"	236.980802	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+2Cl"	69.938804
"554505"	337.986502	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+2Cl"	69.938804
"1027679"	135.975102	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2Cl"	69.938804
"1249443"	280.930285	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Br"	78.918885
"1307520"	282.986272	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Cl+HCOOH"	80.974872
"1322828"	304.968229	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Cl+NaCOOH"	102.956829
"917167"	314.996986	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M-H+CF3COOH"	112.985586
"1293876"	350.973664	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Cl+CF3COOH"	148.962264
"1369851"	166.998724	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H-2H2O"	-35.012676
"1386254"	185.0087	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H-H2O"	-17.0027
"283755"	405.030076	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+H"	1.007276
"682739"	607.041476	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+H"	1.007276
"1359089"	203.018676	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H"	1.007276
"130881"	203.018676	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+2H"	2.014552
"570442"	304.024376	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+2H"	2.014552
"1042523"	102.012976	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2H"	2.014552
"211518"	135.681542666667	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+3H"	3.021828
"653267"	203.018676	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+3H"	3.021828
"1170302"	68.3444093333333	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+3H"	3.021828
"425194"	422.056623	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+NH4"	18.033823
"786556"	624.068023	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+NH4"	18.033823
"1683619"	220.045223	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+NH4"	18.033823
"334818"	211.5319495	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+H+NH4"	19.041099
"724321"	312.5376495	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+H+NH4"	19.041099
"1477531"	110.5262495	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H+NH4"	19.041099
"396456"	427.012018	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+Na"	22.989218
"761825"	629.023418	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+Na"	22.989218
"1607737"	225.000618	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Na"	22.989218
"318867"	214.009647	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+H+Na"	23.996494
"710195"	315.015347	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+H+Na"	23.996494
"1467297"	113.003947	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H+Na"	23.996494
"1054345"	75.6717233333333	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2H+Na"	25.00377
"1261127"	235.044886	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+CH3OH+H"	33.033486
"388088"	442.985958	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+K"	38.963158
"746166"	644.997358	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+K"	38.963158
"1552594"	240.974558	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+K"	38.963158
"311961"	221.996617	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+H+K"	39.970434
"705111"	323.002317	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+H+K"	39.970434
"1454918"	120.990917	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H+K"	39.970434
"247895"	446.056626	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+ACN+H"	42.033826
"1219511"	244.045226	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+ACN+H"	42.033826
"1203394"	122.526251	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+ACN+2H"	43.041102
"201733"	448.99396	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+2Na-H"	44.97116
"638015"	651.00536	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+2Na-H"	44.97116
"1137150"	246.98256	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2Na-H"	44.97116
"176793"	225.000618	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+2Na"	45.978436
"623280"	326.006318	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+2Na"	45.978436
"1130678"	123.994918	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2Na"	45.978436
"1412624"	82.9990373333333	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H+2Na"	46.985712
"1444617"	249.024146	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H+HCOOH"	47.012746
"234195"	230.03364	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+3H2O+2H"	56.04448
"1522373"	263.07619	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+IsoProp+H"	61.06479
"423157"	232.987588	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+Na+K"	61.952376
"785245"	333.993288	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+Na+K"	61.952376
"1680358"	131.981888	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Na+K"	61.952376
"266514"	468.038568	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+ACN+Na"	64.015768
"1240927"	266.027168	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+ACN+Na"	64.015768
"1725319"	266.050693	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+NH4+HCOOH"	64.039293
"1188490"	90.3263513333333	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+3Na"	68.967654
"1655100"	271.006088	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Na+HCOOH"	68.994688
"165242"	480.94184	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+2K-H"	76.91904
"609908"	682.95324	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+2K-H"	76.91904
"1091502"	278.93044	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2K-H"	76.91904
"145038"	240.974558	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"2M+2K"	77.926316
"582775"	341.980258	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"3M+2K"	77.926316
"1070568"	139.968858	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2K"	77.926316
"1101225"	280.944992	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2K+H"	78.933592
"1337612"	281.032607	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+DMSO+H"	79.021207
"1006018"	285.071776	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2ACN+H"	83.060376
"1525481"	286.065408	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+IsoProp+Na+H"	84.054008
"992172"	143.039526	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+2ACN+2H"	84.067652
"1591050"	286.980028	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+K+HCOOH"	84.968628
"1417439"	317.011538	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+H+CF3COOH"	115.000138
"1153201"	163.552801	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+3ACN+2H"	125.094202
"1703845"	334.038085	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+NH4+CF3COOH"	132.026685
"1644963"	338.99348	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+Na+CF3COOH"	136.98208
"1586081"	354.96742	"C05364"	"4-Carboxy-2-oxo-3-hexenedioate"	"C7H6O7"	"202.0114"	"M+K+CF3COOH"	152.95602
"814995"	358.1416	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M"	0
"984520"	339.12321	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"72761"	237.753790666667	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"506856"	357.134324	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"881378"	118.373257333333	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"716"	357.134324	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"440722"	536.205124	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"818768"	178.063524	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"80217"	715.275924	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"522699"	1073.417524	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"899041"	357.134324	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"57794"	732.302471	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"498448"	1090.444071	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"875157"	374.160871	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"43056"	737.257866	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"480070"	1095.399466	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"850940"	379.116266	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1622301"	379.116266	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"95182"	375.122663	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"535835"	554.193463	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"930083"	196.051863	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"270096"	751.252602	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"663978"	1109.394202	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1282942"	393.111002	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"24406"	753.231806	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"466158"	1111.373406	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"845054"	395.090206	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1566355"	395.090206	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"957396"	403.139794	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"373546"	761.281401	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"350140"	775.297051	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1499701"	417.155451	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"964323"	425.121751	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"115419"	393.111002	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"554979"	572.181802	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1031069"	214.040202	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1247365"	437.060485	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1310910"	439.116472	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1324031"	461.098429	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"918370"	471.127186	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1292893"	507.103864	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1372148"	323.128924	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1387458"	341.1389	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"286052"	717.290476	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"680662"	1075.432076	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1359199"	359.148876	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"130992"	359.148876	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"571645"	538.219676	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1044458"	180.078076	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"213087"	239.768342666667	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"653377"	359.148876	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1173694"	120.387809333333	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"426032"	734.317023	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"786665"	1092.458623	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1682999"	376.175423	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"331648"	367.6621495	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"723457"	546.7329495	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1478005"	188.5913495	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"396566"	739.272418	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"759749"	1097.414018	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1605661"	381.130818	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"318978"	370.139847	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"713585"	549.210647	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1467409"	191.069047	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1054455"	127.715123333333	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1258321"	391.175086	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"379814"	755.246358	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"742996"	1113.387958	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1551611"	397.104758	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"309520"	378.126817	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"703396"	557.197617	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1453934"	199.056017	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"245818"	758.317026	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1221808"	400.175426	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1203504"	200.591351	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"198563"	761.25436	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"633752"	1119.39596	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1140539"	403.11276	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"177268"	381.130818	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"623390"	560.201618	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1130181"	202.060018	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1413463"	135.042437333333	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1444120"	405.154346	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"234910"	386.16384	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1522849"	419.20639	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"423145"	389.117788	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"785111"	568.188588	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1680834"	210.046988	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"265774"	780.298968	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1240067"	422.157368	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1725431"	422.180893	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1187508"	142.369751333333	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1655210"	427.136288	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"164260"	793.20224	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"608196"	1151.34384	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1090518"	435.06064	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"145512"	397.104758	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"582885"	576.175558	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1069583"	218.033958	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1103523"	437.075192	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1342096"	437.162807	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1006127"	441.201976	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1525471"	442.195608	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"991189"	221.104626	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1590796"	443.110228	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1416456"	473.141738	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1151123"	241.617901	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1703955"	490.168285	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1645073"	495.12368	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1579630"	511.09762	"C05366"	"()-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"814375"	1008.5436	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M"	0
"985723"	989.52521	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-H2O-H"	-19.01839
"69591"	671.355124	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M-3H"	-3.021828
"509153"	1007.536324	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M-3H"	-3.021828
"880759"	335.173924	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-3H"	-3.021828
"1268"	1007.536324	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M-2H"	-2.014552
"441196"	1511.808124	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M-2H"	-2.014552
"818755"	503.264524	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-2H"	-2.014552
"83969"	2016.079924	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M-H"	-1.007276
"524632"	3024.623524	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M-H"	-1.007276
"899151"	1007.536324	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-H"	-1.007276
"57905"	2033.106471	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M-2H+NH4"	16.019271
"501474"	3041.650071	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M-2H+NH4"	16.019271
"875267"	1024.562871	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-2H+NH4"	16.019271
"43166"	2038.061866	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M-2H+Na"	20.974666
"479453"	3046.605466	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M-2H+Na"	20.974666
"857250"	1029.518266	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-2H+Na"	20.974666
"1625691"	1029.518266	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Na-2H"	20.974666
"97848"	1025.524663	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M-H+Cl"	33.962126
"536678"	1529.796463	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M-H+Cl"	33.962126
"933109"	521.252863	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-H+Cl"	33.962126
"273851"	2052.056602	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+Cl"	34.969402
"669555"	3060.600202	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+Cl"	34.969402
"1280864"	1043.513002	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Cl"	34.969402
"25610"	2054.035806	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M-2H+K"	36.948606
"465175"	3062.579406	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M-2H+K"	36.948606
"839696"	1045.492206	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-2H+K"	36.948606
"1564278"	1045.492206	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+K-2H"	36.948606
"956534"	1053.541794	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-H+HCOOH"	44.998194
"375115"	2062.085401	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+HCOOH-H"	44.998201
"353166"	2076.101051	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+Hac-H"	59.013851
"1499811"	1067.557451	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Hac-H"	59.013851
"969537"	1075.523751	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-H+NaCOOH"	66.980151
"118444"	1043.513002	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+2Cl"	69.938804
"556912"	1547.784802	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+2Cl"	69.938804
"1031179"	539.241202	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2Cl"	69.938804
"1250755"	1087.462485	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Br"	78.918885
"1309927"	1089.518472	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Cl+HCOOH"	80.974872
"1325234"	1111.500429	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Cl+NaCOOH"	102.956829
"918480"	1121.529186	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M-H+CF3COOH"	112.985586
"1291908"	1157.505864	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Cl+CF3COOH"	148.962264
"1370072"	973.530924	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H-2H2O"	-35.012676
"1387568"	991.5409	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H-H2O"	-17.0027
"289442"	2018.094476	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+H"	1.007276
"680771"	3026.638076	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+H"	1.007276
"1358215"	1009.550876	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H"	1.007276
"129279"	1009.550876	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+2H"	2.014552
"567746"	1513.822676	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+2H"	2.014552
"1046027"	505.279076	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2H"	2.014552
"212104"	673.369676	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+3H"	3.021828
"649113"	1009.550876	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+3H"	3.021828
"1173804"	337.188476	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+3H"	3.021828
"426511"	2035.121023	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+NH4"	18.033823
"786775"	3043.664623	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+NH4"	18.033823
"1683474"	1026.577423	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+NH4"	18.033823
"332487"	1018.0641495	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+H+NH4"	19.041099
"723567"	1522.3359495	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+H+NH4"	19.041099
"1478237"	513.7923495	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H+NH4"	19.041099
"396676"	2040.076418	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+Na"	22.989218
"757673"	3048.620018	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+Na"	22.989218
"1605042"	1031.532818	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Na"	22.989218
"321274"	1020.541847	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+H+Na"	23.996494
"710414"	1524.813647	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+H+Na"	23.996494
"1463872"	516.270047	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H+Na"	23.996494
"1055294"	344.51579	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2H+Na"	25.00377
"1257822"	1041.577086	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+CH3OH+H"	33.033486
"380288"	2056.050358	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+K"	38.963158
"741283"	3064.593958	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+K"	38.963158
"1553543"	1047.506758	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+K"	38.963158
"309631"	1028.528817	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+H+K"	39.970434
"704599"	1532.800617	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+H+K"	39.970434
"1454046"	524.257017	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H+K"	39.970434
"248845"	2059.121026	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+ACN+H"	42.033826
"1218638"	1050.577426	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+ACN+H"	42.033826
"1207988"	525.792351	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+ACN+2H"	43.041102
"202562"	2062.05836	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+2Na-H"	44.97116
"634956"	3070.60196	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+2Na-H"	44.97116
"1140648"	1053.51476	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2Na-H"	44.97116
"185760"	1031.532818	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+2Na"	45.978436
"620219"	1535.804618	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+2Na"	45.978436
"1129680"	527.261018	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2Na"	45.978436
"1413614"	351.843104	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H+2Na"	46.985712
"1444593"	1055.556346	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H+HCOOH"	47.012746
"234532"	1036.56584	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+3H2O+2H"	56.04448
"1523688"	1069.60839	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+IsoProp+H"	61.06479
"423255"	1039.519788	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+Na+K"	61.952376
"784735"	1543.791588	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+Na+K"	61.952376
"1680095"	535.247988	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Na+K"	61.952376
"266126"	2081.102968	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+ACN+Na"	64.015768
"1239931"	1072.559368	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+ACN+Na"	64.015768
"1725541"	1072.582893	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+NH4+HCOOH"	64.039293
"1190899"	359.170418	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+3Na"	68.967654
"1656417"	1077.538288	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Na+HCOOH"	68.994688
"161093"	2094.00624	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+2K-H"	76.91904
"608305"	3102.54984	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+2K-H"	76.91904
"1091723"	1085.46264	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2K-H"	76.91904
"145259"	1047.506758	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"2M+2K"	77.926316
"581820"	1551.778558	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"3M+2K"	77.926316
"1072610"	543.234958	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2K"	77.926316
"1108008"	1087.477192	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2K+H"	78.933592
"1342206"	1087.564807	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+DMSO+H"	79.021207
"1007454"	1091.603976	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2ACN+H"	83.060376
"1525093"	1092.597608	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+IsoProp+Na+H"	84.054008
"990119"	546.305626	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+2ACN+2H"	84.067652
"1590906"	1093.512228	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+K+HCOOH"	84.968628
"1416566"	1123.543738	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+H+CF3COOH"	115.000138
"1150140"	566.818901	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+3ACN+2H"	125.094202
"1704065"	1140.570285	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+NH4+CF3COOH"	132.026685
"1645183"	1145.52568	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+Na+CF3COOH"	136.98208
"1579740"	1161.49962	"C05370"	"Calyculin A"	"C50H81N4O15P"	"1008.5436"	"M+K+CF3COOH"	152.95602
"813395"	994.5488	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M"	0
"983647"	975.53041	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-H2O-H"	-19.01839
"68607"	662.025257333333	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M-3H"	-3.021828
"510355"	993.541524	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M-3H"	-3.021828
"880505"	330.508990666667	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-3H"	-3.021828
"3446"	993.541524	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M-2H"	-2.014552
"441913"	1490.815924	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M-2H"	-2.014552
"820442"	496.267124	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-2H"	-2.014552
"84079"	1988.090324	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M-H"	-1.007276
"520366"	2982.639124	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M-H"	-1.007276
"896949"	993.541524	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-H"	-1.007276
"56920"	2005.116871	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M-2H+NH4"	16.019271
"501342"	2999.665671	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M-2H+NH4"	16.019271
"876106"	1010.568071	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-2H+NH4"	16.019271
"42183"	2010.072266	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M-2H+Na"	20.974666
"479558"	3004.621066	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M-2H+Na"	20.974666
"853350"	1015.523466	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-2H+Na"	20.974666
"1622522"	1015.523466	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Na-2H"	20.974666
"98684"	1011.529863	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M-H+Cl"	33.962126
"536787"	1508.804263	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M-H+Cl"	33.962126
"934314"	514.255463	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-H+Cl"	33.962126
"275055"	2024.067002	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+Cl"	34.969402
"667479"	3018.615802	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+Cl"	34.969402
"1280974"	1029.518202	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Cl"	34.969402
"29001"	2026.046206	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M-2H+K"	36.948606
"465282"	3020.595006	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M-2H+K"	36.948606
"835429"	1031.497406	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-2H+K"	36.948606
"1560014"	1031.497406	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+K-2H"	36.948606
"953363"	1039.546994	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-H+HCOOH"	44.998194
"374859"	2034.095801	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+HCOOH-H"	44.998201
"358743"	2048.111451	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+Hac-H"	59.013851
"1501015"	1053.562651	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Hac-H"	59.013851
"970743"	1061.528951	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-H+NaCOOH"	66.980151
"118555"	1029.518202	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+2Cl"	69.938804
"559209"	1526.792602	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+2Cl"	69.938804
"1034205"	532.243802	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2Cl"	69.938804
"1250866"	1073.467685	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Br"	78.918885
"1312222"	1075.523672	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Cl+HCOOH"	80.974872
"1328625"	1097.505629	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Cl+NaCOOH"	102.956829
"922964"	1107.534386	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M-H+CF3COOH"	112.985586
"1290926"	1143.511064	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Cl+CF3COOH"	148.962264
"1371275"	959.536124	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H-2H2O"	-35.012676
"1387678"	977.5461	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H-H2O"	-17.0027
"287367"	1990.104876	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+H"	1.007276
"679060"	2984.653676	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+H"	1.007276
"1357232"	995.556076	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H"	1.007276
"128660"	995.556076	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+2H"	2.014552
"569314"	1492.830476	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+2H"	2.014552
"1046137"	498.281676	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2H"	2.014552
"211121"	664.039809333333	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+3H"	3.021828
"649223"	995.556076	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+3H"	3.021828
"1172821"	332.523542666667	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+3H"	3.021828
"430987"	2007.131423	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+NH4"	18.033823
"788709"	3001.680223	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+NH4"	18.033823
"1682858"	1012.582623	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+NH4"	18.033823
"334055"	1004.0693495	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+H+NH4"	19.041099
"725015"	1501.3437495	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+H+NH4"	19.041099
"1479197"	506.7949495	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H+NH4"	19.041099
"396786"	2012.086818	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+Na"	22.989218
"761062"	3006.635618	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+Na"	22.989218
"1606245"	1017.538018	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Na"	22.989218
"315917"	1006.547047	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+H+Na"	23.996494
"708458"	1503.821447	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+H+Na"	23.996494
"1463617"	509.272647	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H+Na"	23.996494
"1055768"	339.850856666667	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2H+Na"	25.00377
"1258052"	1027.582286	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+CH3OH+H"	33.033486
"380398"	2028.060758	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+K"	38.963158
"739570"	3022.609558	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+K"	38.963158
"1547456"	1033.511958	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+K"	38.963158
"301718"	1014.534017	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+H+K"	39.970434
"701428"	1511.808417	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+H+K"	39.970434
"1447959"	517.259617	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H+K"	39.970434
"239477"	2031.131426	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+ACN+H"	42.033826
"1222028"	1036.582626	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+ACN+H"	42.033826
"1205912"	518.794951	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+ACN+2H"	43.041102
"202064"	2034.06876	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+2Na-H"	44.97116
"643329"	3028.61756	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+2Na-H"	44.97116
"1146638"	1039.51996	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2Na-H"	44.97116
"187822"	1017.538018	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+2Na"	45.978436
"620329"	1514.812418	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+2Na"	45.978436
"1130032"	520.263618	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2Na"	45.978436
"1413561"	347.178170666667	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H+2Na"	46.985712
"1443974"	1041.561546	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H+HCOOH"	47.012746
"234398"	1022.57104	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+3H2O+2H"	56.04448
"1523437"	1055.61359	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+IsoProp+H"	61.06479
"422758"	1025.524988	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+Na+K"	61.952376
"784844"	1522.799388	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+Na+K"	61.952376
"1680448"	528.250588	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Na+K"	61.952376
"266804"	2053.113368	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+ACN+Na"	64.015768
"1239676"	1058.564568	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+ACN+Na"	64.015768
"1727232"	1058.588093	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+NH4+HCOOH"	64.039293
"1189912"	354.505484666667	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+3Na"	68.967654
"1657619"	1063.543488	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Na+HCOOH"	68.994688
"166669"	2066.01664	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+2K-H"	76.91904
"607323"	3060.56544	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+2K-H"	76.91904
"1091836"	1071.46784	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2K-H"	76.91904
"154121"	1033.511958	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"2M+2K"	77.926316
"581890"	1530.786358	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"3M+2K"	77.926316
"1069561"	536.237558	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2K"	77.926316
"1107024"	1073.482392	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2K+H"	78.933592
"1344503"	1073.570007	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+DMSO+H"	79.021207
"1008658"	1077.609176	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2ACN+H"	83.060376
"1528971"	1078.602808	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+IsoProp+Na+H"	84.054008
"990678"	539.308226	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+2ACN+2H"	84.067652
"1592109"	1079.517428	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+K+HCOOH"	84.968628
"1415587"	1109.548938	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+H+CF3COOH"	115.000138
"1150250"	559.821501	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+3ACN+2H"	125.094202
"1707456"	1126.575485	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+NH4+CF3COOH"	132.026685
"1647481"	1131.53088	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+Na+CF3COOH"	136.98208
"1579850"	1147.50482	"C05371"	"Microcystin LR;Microcystin-LR"	"C49H74N10O12"	"994.5488"	"M+K+CF3COOH"	152.95602
"814599"	766.4503	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M"	0
"983759"	747.43191	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-H2O-H"	-19.01839
"69813"	509.959590666667	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M-3H"	-3.021828
"510468"	765.443024	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M-3H"	-3.021828
"886083"	254.476157333333	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-3H"	-3.021828
"2830"	765.443024	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M-2H"	-2.014552
"442025"	1148.668174	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M-2H"	-2.014552
"818491"	382.217874	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-2H"	-2.014552
"80306"	1531.893324	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M-H"	-1.007276
"520594"	2298.343624	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M-H"	-1.007276
"897302"	765.443024	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-H"	-1.007276
"62256"	1548.919871	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M-2H+NH4"	16.019271
"497684"	2315.370171	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M-2H+NH4"	16.019271
"877673"	782.469571	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-2H+NH4"	16.019271
"42293"	1553.875266	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M-2H+Na"	20.974666
"479668"	2320.325566	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M-2H+Na"	20.974666
"858565"	787.424966	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-2H+Na"	20.974666
"1625913"	787.424966	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Na-2H"	20.974666
"98793"	783.431363	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M-H+Cl"	33.962126
"537990"	1166.656513	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M-H+Cl"	33.962126
"937703"	400.206213	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-H+Cl"	33.962126
"277353"	1567.870002	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+Cl"	34.969402
"673785"	2334.320302	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+Cl"	34.969402
"1286551"	801.419702	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Cl"	34.969402
"30204"	1569.849206	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M-2H+K"	36.948606
"466487"	2336.299506	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M-2H+K"	36.948606
"839916"	803.398906	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-2H+K"	36.948606
"1559393"	803.398906	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+K-2H"	36.948606
"951286"	811.448494	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-H+HCOOH"	44.998194
"373875"	1577.898801	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+HCOOH-H"	44.998201
"358853"	1591.914451	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+Hac-H"	59.013851
"1501125"	825.464151	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Hac-H"	59.013851
"973447"	833.430451	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-H+NaCOOH"	66.980151
"118665"	801.419702	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+2Cl"	69.938804
"554947"	1184.644852	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+2Cl"	69.938804
"1031399"	418.194552	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2Cl"	69.938804
"1247696"	845.369185	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Br"	78.918885
"1307960"	847.425172	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Cl+HCOOH"	80.974872
"1329828"	869.407129	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Cl+NaCOOH"	102.956829
"921980"	879.435886	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M-H+CF3COOH"	112.985586
"1294315"	915.412564	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Cl+CF3COOH"	148.962264
"1371387"	731.437624	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H-2H2O"	-35.012676
"1391070"	749.4476	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H-H2O"	-17.0027
"291851"	1533.907876	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+H"	1.007276
"680993"	2300.358176	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+H"	1.007276
"1356249"	767.457576	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H"	1.007276
"130228"	767.457576	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+2H"	2.014552
"569060"	1150.682726	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+2H"	2.014552
"1044424"	384.232426	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2H"	2.014552
"213053"	511.974142666667	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+3H"	3.021828
"650791"	767.457576	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+3H"	3.021828
"1172929"	256.490709333333	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+3H"	3.021828
"431827"	1550.934423	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+NH4"	18.033823
"790645"	2317.384723	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+NH4"	18.033823
"1685886"	784.484123	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+NH4"	18.033823
"334166"	775.9708495	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+H+NH4"	19.041099
"728771"	1159.1959995	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+H+NH4"	19.041099
"1480039"	392.7456995	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H+NH4"	19.041099
"397990"	1555.889818	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+Na"	22.989218
"761174"	2322.340118	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+Na"	22.989218
"1609271"	789.439518	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Na"	22.989218
"320402"	778.448547	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+H+Na"	23.996494
"712822"	1161.673697	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+H+Na"	23.996494
"1467738"	395.223397	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H+Na"	23.996494
"1055514"	263.818023333333	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2H+Na"	25.00377
"1260838"	799.483786	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+CH3OH+H"	33.033486
"379415"	1571.863758	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+K"	38.963158
"743326"	2338.314058	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+K"	38.963158
"1544286"	805.413458	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+K"	38.963158
"306931"	786.435517	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+H+K"	39.970434
"701538"	1169.660667	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+H+K"	39.970434
"1449164"	403.210367	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H+K"	39.970434
"241774"	1574.934426	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+ACN+H"	42.033826
"1217764"	808.484126	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+ACN+H"	42.033826
"1204928"	404.745701	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+ACN+2H"	43.041102
"197800"	1577.87176	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+2Na-H"	44.97116
"638454"	2344.32206	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+2Na-H"	44.97116
"1144146"	811.42146	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2Na-H"	44.97116
"188490"	789.439518	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+2Na"	45.978436
"625905"	1172.664668	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+2Na"	45.978436
"1127225"	406.214368	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2Na"	45.978436
"1407468"	271.145337333333	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H+2Na"	46.985712
"1445467"	813.463046	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H+HCOOH"	47.012746
"235672"	794.47254	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+3H2O+2H"	56.04448
"1524025"	827.51509	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+IsoProp+H"	61.06479
"424144"	797.426488	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+Na+K"	61.952376
"784956"	1180.651638	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+Na+K"	61.952376
"1677633"	414.201338	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Na+K"	61.952376
"265976"	1596.916368	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+ACN+Na"	64.015768
"1238685"	830.466068	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+ACN+Na"	64.015768
"1727222"	830.489593	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+NH4+HCOOH"	64.039293
"1191117"	278.472651333333	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+3Na"	68.967654
"1658824"	835.444988	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Na+HCOOH"	68.994688
"171154"	1609.81964	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+2K-H"	76.91904
"611568"	2376.26994	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+2K-H"	76.91904
"1098994"	843.36934	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2K-H"	76.91904
"156869"	805.413458	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"2M+2K"	77.926316
"596349"	1188.638608	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"3M+2K"	77.926316
"1069426"	422.188308	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2K"	77.926316
"1101905"	845.383892	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2K+H"	78.933592
"1338054"	845.471507	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+DMSO+H"	79.021207
"1007677"	849.510676	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2ACN+H"	83.060376
"1527988"	850.504308	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+IsoProp+Na+H"	84.054008
"993344"	425.258976	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+2ACN+2H"	84.067652
"1592223"	851.418928	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+K+HCOOH"	84.968628
"1416788"	881.450438	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+H+CF3COOH"	115.000138
"1156922"	445.772251	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+3ACN+2H"	125.094202
"1704287"	898.476985	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+NH4+CF3COOH"	132.026685
"1645404"	903.43238	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+Na+CF3COOH"	136.98208
"1579961"	919.40632	"C05372"	"Tautomycin"	"C41H66O13"	"766.4503"	"M+K+CF3COOH"	152.95602
"813615"	186.0164	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M"	0
"983869"	166.99801	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-H2O-H"	-19.01839
"69923"	123.003657333333	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M-3H"	-3.021828
"511672"	185.009124	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M-3H"	-3.021828
"888381"	60.9981906666667	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-3H"	-3.021828
"509"	185.009124	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M-2H"	-2.014552
"441408"	278.017324	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M-2H"	-2.014552
"818116"	92.000924	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-2H"	-2.014552
"80298"	371.025524	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M-H"	-1.007276
"522775"	557.041924	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M-H"	-1.007276
"898752"	185.009124	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-H"	-1.007276
"58234"	388.052071	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M-2H+NH4"	16.019271
"495608"	574.068471	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M-2H+NH4"	16.019271
"874504"	202.035671	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-2H+NH4"	16.019271
"40217"	393.007466	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M-2H+Na"	20.974666
"481965"	579.023866	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M-2H+Na"	20.974666
"858676"	206.991066	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-2H+Na"	20.974666
"1627118"	206.991066	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Na-2H"	20.974666
"97084"	202.997463	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M-H+Cl"	33.962126
"542111"	296.005663	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M-H+Cl"	33.962126
"933441"	109.989263	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-H+Cl"	33.962126
"277463"	407.002202	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+Cl"	34.969402
"673166"	593.018602	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+Cl"	34.969402
"1288001"	220.985802	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Cl"	34.969402
"28128"	408.981406	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M-2H+K"	36.948606
"465502"	594.997806	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M-2H+K"	36.948606
"837838"	222.965006	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-2H+K"	36.948606
"1558044"	222.965006	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+K-2H"	36.948606
"949208"	231.014594	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-H+HCOOH"	44.998194
"365967"	417.031001	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+HCOOH-H"	44.998201
"350943"	431.046651	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+Hac-H"	59.013851
"1500505"	245.030251	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Hac-H"	59.013851
"966588"	252.996551	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-H+NaCOOH"	66.980151
"120962"	220.985802	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+2Cl"	69.938804
"556149"	313.994002	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+2Cl"	69.938804
"1025677"	127.977602	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2Cl"	69.938804
"1246714"	264.935285	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Br"	78.918885
"1312444"	266.991272	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Cl+HCOOH"	80.974872
"1323380"	288.973229	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Cl+NaCOOH"	102.956829
"915531"	299.001986	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M-H+CF3COOH"	112.985586
"1291148"	334.978664	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Cl+CF3COOH"	148.962264
"1374778"	151.003724	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H-2H2O"	-35.012676
"1396284"	169.0137	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H-H2O"	-17.0027
"291961"	373.040076	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+H"	1.007276
"682198"	559.056476	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+H"	1.007276
"1352350"	187.023676	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H"	1.007276
"133624"	187.023676	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+2H"	2.014552
"577559"	280.031876	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+2H"	2.014552
"1045266"	94.015476	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2H"	2.014552
"214264"	125.018209333333	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+3H"	3.021828
"656011"	187.023676	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+3H"	3.021828
"1168667"	63.0127426666667	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+3H"	3.021828
"431939"	390.066623	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+NH4"	18.033823
"790751"	576.083023	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+NH4"	18.033823
"1682465"	204.050223	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+NH4"	18.033823
"330626"	195.5369495	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+H+NH4"	19.041099
"722838"	288.5451495	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+H+NH4"	19.041099
"1477834"	102.5287495	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H+NH4"	19.041099
"392889"	395.022018	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+Na"	22.989218
"754256"	581.038418	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+Na"	22.989218
"1603665"	209.005618	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Na"	22.989218
"314591"	198.014647	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+H+Na"	23.996494
"708558"	291.022847	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+H+Na"	23.996494
"1461435"	105.006447	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H+Na"	23.996494
"1053555"	70.3400566666667	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2H+Na"	25.00377
"1257168"	219.049886	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+CH3OH+H"	33.033486
"377858"	410.995958	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+K"	38.963158
"748905"	597.012358	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+K"	38.963158
"1546584"	224.979558	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+K"	38.963158
"307043"	206.001617	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+H+K"	39.970434
"696182"	299.009817	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+H+K"	39.970434
"1450002"	112.993417	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H+K"	39.970434
"239333"	414.066626	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+ACN+H"	42.033826
"1216781"	228.050226	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+ACN+H"	42.033826
"1197019"	114.528751	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+ACN+2H"	43.041102
"196816"	417.00396	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+2Na-H"	44.97116
"635285"	603.02036	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+2Na-H"	44.97116
"1144256"	230.98756	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2Na-H"	44.97116
"188532"	209.005618	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+2Na"	45.978436
"623829"	302.013818	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+2Na"	45.978436
"1129522"	115.997418	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2Na"	45.978436
"1413333"	77.6673706666667	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H+2Na"	46.985712
"1444072"	233.029146	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H+HCOOH"	47.012746
"235600"	214.03864	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+3H2O+2H"	56.04448
"1523897"	247.08119	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+IsoProp+H"	61.06479
"424213"	216.992588	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+Na+K"	61.952376
"784697"	310.000788	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+Na+K"	61.952376
"1678836"	123.984388	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Na+K"	61.952376
"263900"	436.048568	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+ACN+Na"	64.015768
"1238431"	250.032168	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+ACN+Na"	64.015768
"1724782"	250.055693	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+NH4+HCOOH"	64.039293
"1190136"	84.9946846666667	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+3Na"	68.967654
"1661123"	255.011088	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Na+HCOOH"	68.994688
"172357"	448.95184	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+2K-H"	76.91904
"612531"	634.96824	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+2K-H"	76.91904
"1099226"	262.93544	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2K-H"	76.91904
"156655"	224.979558	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"2M+2K"	77.926316
"596904"	317.987758	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"3M+2K"	77.926316
"1072941"	131.971358	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2K"	77.926316
"1101409"	264.949992	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2K+H"	78.933592
"1342537"	265.037607	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+DMSO+H"	79.021207
"1008880"	269.076776	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2ACN+H"	83.060376
"1532472"	270.070408	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+IsoProp+Na+H"	84.054008
"995642"	135.042026	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+2ACN+2H"	84.067652
"1592334"	270.985028	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+K+HCOOH"	84.968628
"1416532"	301.016538	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+H+CF3COOH"	115.000138
"1157032"	155.555301	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+3ACN+2H"	125.094202
"1707677"	318.043085	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+NH4+CF3COOH"	132.026685
"1645515"	322.99848	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+Na+CF3COOH"	136.98208
"1580071"	338.97242	"C05375"	"2-Hydroxy-2-hydropyrone-46-dicarboxylate"	"C7H6O6"	"186.0164"	"M+K+CF3COOH"	152.95602
"813725"	446.1213	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M"	0
"986164"	427.10291	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-H2O-H"	-19.01839
"74408"	296.406924	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M-3H"	-3.021828
"508502"	445.114024	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M-3H"	-3.021828
"888491"	147.699824	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-3H"	-3.021828
"30"	445.114024	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M-2H"	-2.014552
"440303"	668.174674	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M-2H"	-2.014552
"818103"	222.053374	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-2H"	-2.014552
"80407"	891.235324	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M-H"	-1.007276
"521792"	1337.356624	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M-H"	-1.007276
"898862"	445.114024	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-H"	-1.007276
"58344"	908.261871	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M-2H+NH4"	16.019271
"496811"	1354.383171	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M-2H+NH4"	16.019271
"873521"	462.140571	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-2H+NH4"	16.019271
"42513"	913.217266	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M-2H+Na"	20.974666
"478795"	1359.338566	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M-2H+Na"	20.974666
"855506"	467.095966	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-2H+Na"	20.974666
"1626134"	467.095966	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Na-2H"	20.974666
"96101"	463.102363	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M-H+Cl"	33.962126
"538940"	686.163013	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M-H+Cl"	33.962126
"935737"	240.041713	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-H+Cl"	33.962126
"274293"	927.212002	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+Cl"	34.969402
"671090"	1373.333302	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+Cl"	34.969402
"1283491"	481.090702	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Cl"	34.969402
"26050"	929.191206	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M-2H+K"	36.948606
"465612"	1375.312506	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M-2H+K"	36.948606
"836855"	483.069906	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-2H+K"	36.948606
"1560341"	483.069906	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+K-2H"	36.948606
"951506"	491.119494	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-H+HCOOH"	44.998194
"368629"	937.240801	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+HCOOH-H"	44.998201
"352512"	951.256451	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+Hac-H"	59.013851
"1500251"	505.135151	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Hac-H"	59.013851
"966698"	513.101451	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-H+NaCOOH"	66.980151
"121072"	481.090702	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+2Cl"	69.938804
"556259"	704.151352	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+2Cl"	69.938804
"1025422"	258.030052	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2Cl"	69.938804
"1243544"	525.040185	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Br"	78.918885
"1307087"	527.096172	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Cl+HCOOH"	80.974872
"1323490"	549.078129	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Cl+NaCOOH"	102.956829
"912361"	559.106886	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M-H+CF3COOH"	112.985586
"1292352"	595.083564	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Cl+CF3COOH"	148.962264
"1374888"	411.108624	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H-2H2O"	-35.012676
"1396394"	429.1186	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H-H2O"	-17.0027
"288790"	893.249876	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+H"	1.007276
"687774"	1339.371176	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+H"	1.007276
"1355739"	447.128576	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H"	1.007276
"127533"	447.128576	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+2H"	2.014552
"576576"	670.189226	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+2H"	2.014552
"1046470"	224.067926	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2H"	2.014552
"212186"	298.421476	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+3H"	3.021828
"651745"	447.128576	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+3H"	3.021828
"1168048"	149.714376	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+3H"	3.021828
"430955"	910.276423	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+NH4"	18.033823
"793049"	1356.397723	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+NH4"	18.033823
"1681730"	464.155123	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+NH4"	18.033823
"331466"	455.6418495	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+H+NH4"	19.041099
"723278"	678.7024995	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+H+NH4"	19.041099
"1477703"	232.5811995	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H+NH4"	19.041099
"393346"	915.231818	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+Na"	22.989218
"755922"	1361.353118	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+Na"	22.989218
"1606207"	469.110518	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Na"	22.989218
"314617"	458.119547	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+H+Na"	23.996494
"708668"	681.180197	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+H+Na"	23.996494
"1461551"	235.058897	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H+Na"	23.996494
"1053139"	157.04169	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2H+Na"	25.00377
"1257115"	479.154786	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+CH3OH+H"	33.033486
"378540"	931.205758	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+K"	38.963158
"749016"	1377.327058	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+K"	38.963158
"1549975"	485.084458	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+K"	38.963158
"308246"	466.106517	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+H+K"	39.970434
"699572"	689.167167	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+H+K"	39.970434
"1450112"	243.045867	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H+K"	39.970434
"237984"	934.276426	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+ACN+H"	42.033826
"1219078"	488.155126	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+ACN+H"	42.033826
"1198222"	244.581201	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+ACN+2H"	43.041102
"194009"	937.21376	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+2Na-H"	44.97116
"634300"	1383.33506	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+2Na-H"	44.97116
"1143272"	491.09246	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2Na-H"	44.97116
"187173"	469.110518	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+2Na"	45.978436
"623574"	692.171168	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+2Na"	45.978436
"1127812"	246.049868	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2Na"	45.978436
"1412067"	164.369004	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H+2Na"	46.985712
"1443089"	493.134046	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H+HCOOH"	47.012746
"235298"	474.14354	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+3H2O+2H"	56.04448
"1523398"	507.18609	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+IsoProp+H"	61.06479
"423448"	477.097488	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+Na+K"	61.952376
"782987"	700.158138	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+Na+K"	61.952376
"1678583"	254.036838	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Na+K"	61.952376
"263282"	956.258368	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+ACN+Na"	64.015768
"1238542"	510.137068	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+ACN+Na"	64.015768
"1728050"	510.160593	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+NH4+HCOOH"	64.039293
"1193402"	171.696318	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+3Na"	68.967654
"1662325"	515.115988	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Na+HCOOH"	68.994688
"172225"	969.16164	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+2K-H"	76.91904
"612518"	1415.28294	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+2K-H"	76.91904
"1098605"	523.04034	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2K-H"	76.91904
"156992"	485.084458	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"2M+2K"	77.926316
"596855"	708.145108	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"3M+2K"	77.926316
"1084081"	262.023808	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2K"	77.926316
"1103344"	525.054892	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2K+H"	78.933592
"1344834"	525.142507	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+DMSO+H"	79.021207
"1008261"	529.181676	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2ACN+H"	83.060376
"1534769"	530.175308	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+IsoProp+Na+H"	84.054008
"995752"	265.094476	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+2ACN+2H"	84.067652
"1593537"	531.089928	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+K+HCOOH"	84.968628
"1416278"	561.121438	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+H+CF3COOH"	115.000138
"1153862"	285.607751	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+3ACN+2H"	125.094202
"1707787"	578.147985	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+NH4+CF3COOH"	132.026685
"1645625"	583.10338	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+Na+CF3COOH"	136.98208
"1580181"	599.07732	"C05376"	"Biochanin A-beta-D-glucoside;Biochanin A 7-O-beta-D-glucoside;Sissotrin"	"C22H22O10"	"446.1213"	"M+K+CF3COOH"	152.95602
"814564"	172.0524	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M"	0
"985911"	153.03401	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-H2O-H"	-19.01839
"73424"	113.694324	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M-3H"	-3.021828
"509705"	171.045124	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M-3H"	-3.021828
"886413"	56.343524	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-3H"	-3.021828
"400"	171.045124	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M-2H"	-2.014552
"440328"	257.071324	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M-2H"	-2.014552
"817364"	85.018924	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-2H"	-2.014552
"81975"	343.097524	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M-H"	-1.007276
"527370"	515.149924	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M-H"	-1.007276
"898608"	171.045124	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-H"	-1.007276
"56267"	360.124071	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M-2H+NH4"	16.019271
"495828"	532.176471	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M-2H+NH4"	16.019271
"874724"	188.071671	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-2H+NH4"	16.019271
"40437"	365.079466	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M-2H+Na"	20.974666
"478905"	537.131866	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M-2H+Na"	20.974666
"852337"	193.027066	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-2H+Na"	20.974666
"1622964"	193.027066	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Na-2H"	20.974666
"96211"	189.033463	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M-H+Cl"	33.962126
"536863"	275.059663	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M-H+Cl"	33.962126
"935847"	103.007263	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-H+Cl"	33.962126
"274403"	379.074202	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+Cl"	34.969402
"671200"	551.126602	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+Cl"	34.969402
"1284694"	207.021802	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Cl"	34.969402
"25067"	381.053406	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M-2H+K"	36.948606
"466817"	553.105806	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M-2H+K"	36.948606
"835871"	209.001006	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-2H+K"	36.948606
"1559358"	209.001006	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+K-2H"	36.948606
"949430"	217.050594	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-H+HCOOH"	44.998194
"367645"	389.103001	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+HCOOH-H"	44.998201
"348976"	403.118651	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+Hac-H"	59.013851
"1497808"	231.066251	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Hac-H"	59.013851
"962434"	239.032551	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-H+NaCOOH"	66.980151
"116809"	207.021802	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+2Cl"	69.938804
"554182"	293.048002	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+2Cl"	69.938804
"1026261"	120.995602	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2Cl"	69.938804
"1243653"	250.971285	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Br"	78.918885
"1305131"	253.027272	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Cl+HCOOH"	80.974872
"1323600"	275.009229	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Cl+NaCOOH"	102.956829
"914656"	285.037986	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M-H+CF3COOH"	112.985586
"1295743"	321.014664	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Cl+CF3COOH"	148.962264
"1377186"	137.039724	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H-2H2O"	-35.012676
"1394682"	155.0497	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H-H2O"	-17.0027
"283918"	345.112076	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+H"	1.007276
"682416"	517.164476	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+H"	1.007276
"1355849"	173.059676	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H"	1.007276
"127156"	173.059676	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+2H"	2.014552
"569029"	259.085876	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+2H"	2.014552
"1045491"	87.033476	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2H"	2.014552
"211204"	115.708876	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+3H"	3.021828
"651857"	173.059676	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+3H"	3.021828
"1178125"	58.358076	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+3H"	3.021828
"429972"	362.138623	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+NH4"	18.033823
"798627"	534.191023	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+NH4"	18.033823
"1682325"	190.086223	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+NH4"	18.033823
"333399"	181.5729495	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+H+NH4"	19.041099
"723509"	267.5991495	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+H+NH4"	19.041099
"1480733"	95.5467495	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H+NH4"	19.041099
"395036"	367.094018	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+Na"	22.989218
"757125"	539.146418	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+Na"	22.989218
"1606317"	195.041618	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Na"	22.989218
"314894"	184.050647	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+H+Na"	23.996494
"708778"	270.076847	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+H+Na"	23.996494
"1461504"	98.024447	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H+Na"	23.996494
"1053170"	65.68539	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2H+Na"	25.00377
"1262993"	205.085886	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+CH3OH+H"	33.033486
"388129"	383.067958	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+K"	38.963158
"750219"	555.120358	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+K"	38.963158
"1550088"	211.015558	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+K"	38.963158
"310179"	192.037617	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+H+K"	39.970434
"699682"	278.063817	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+H+K"	39.970434
"1454596"	106.011417	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H+K"	39.970434
"239552"	386.138626	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+ACN+H"	42.033826
"1221375"	214.086226	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+ACN+H"	42.033826
"1200155"	107.546751	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+ACN+2H"	43.041102
"195942"	389.07596	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+2Na-H"	44.97116
"637326"	561.12836	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+2Na-H"	44.97116
"1143382"	217.02356	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2Na-H"	44.97116
"187283"	195.041618	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+2Na"	45.978436
"625142"	281.067818	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+2Na"	45.978436
"1127558"	109.015418	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2Na"	45.978436
"1409626"	73.012704	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H+2Na"	46.985712
"1441741"	219.065146	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H+HCOOH"	47.012746
"233989"	200.07464	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+3H2O+2H"	56.04448
"1523143"	233.11719	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+IsoProp+H"	61.06479
"423193"	203.028588	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+Na+K"	61.952376
"783462"	289.054788	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+Na+K"	61.952376
"1674684"	117.002388	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Na+K"	61.952376
"261206"	408.120568	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+ACN+Na"	64.015768
"1236830"	236.068168	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+ACN+Na"	64.015768
"1727187"	236.091693	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+NH4+HCOOH"	64.039293
"1193513"	80.340018	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+3Na"	68.967654
"1662436"	241.047088	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Na+HCOOH"	68.994688
"169296"	421.02384	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+2K-H"	76.91904
"611044"	593.07624	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+2K-H"	76.91904
"1099526"	248.97144	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2K-H"	76.91904
"156508"	211.015558	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"2M+2K"	77.926316
"596965"	297.041758	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"3M+2K"	77.926316
"1083988"	124.989358	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2K"	77.926316
"1103454"	250.985992	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2K+H"	78.933592
"1339476"	251.073607	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+DMSO+H"	79.021207
"1008007"	255.112776	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2ACN+H"	83.060376
"1531598"	256.106408	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+IsoProp+Na+H"	84.054008
"995862"	128.060026	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+2ACN+2H"	84.067652
"1594740"	257.021028	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+K+HCOOH"	84.968628
"1416389"	287.052538	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+H+CF3COOH"	115.000138
"1157253"	148.573301	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+3ACN+2H"	125.094202
"1707898"	304.079085	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+NH4+CF3COOH"	132.026685
"1648894"	309.03448	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+Na+CF3COOH"	136.98208
"1580291"	325.00842	"C05377"	"Menadione;Vitamin K3;2-Methyl-14-naphthoquinone"	"C11H8O2"	"172.0524"	"M+K+CF3COOH"	152.95602
"816132"	339.996	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M"	0
"987479"	320.97761	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H2O-H"	-19.01839
"75721"	225.656724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-3H"	-3.021828
"517466"	338.988724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-3H"	-3.021828
"886523"	112.324724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-3H"	-3.021828
"2906"	338.988724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H"	-2.014552
"443194"	508.986724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H"	-2.014552
"819175"	168.990724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H"	-2.014552
"82449"	678.984724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H"	-1.007276
"526387"	1018.980724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H"	-1.007276
"900540"	338.988724	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H"	-1.007276
"54190"	696.011271	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+NH4"	16.019271
"495938"	1036.007271	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+NH4"	16.019271
"875927"	356.015271	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+NH4"	16.019271
"41640"	700.966666	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+Na"	20.974666
"479015"	1040.962666	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+Na"	20.974666
"861194"	360.970666	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+Na"	20.974666
"1629634"	360.970666	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na-2H"	20.974666
"97414"	356.977063	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-H+Cl"	33.962126
"539159"	526.975063	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-H+Cl"	33.962126
"935957"	186.979063	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+Cl"	33.962126
"277793"	714.961402	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Cl"	34.969402
"673377"	1054.957402	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Cl"	34.969402
"1285898"	374.965402	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl"	34.969402
"27364"	716.940606	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M-2H+K"	36.948606
"464740"	1056.936606	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M-2H+K"	36.948606
"842541"	376.944606	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-2H+K"	36.948606
"1560561"	376.944606	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K-2H"	36.948606
"953913"	384.994194	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+HCOOH"	44.998194
"369942"	724.990201	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+HCOOH-H"	44.998201
"348359"	739.005851	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Hac-H"	59.013851
"1499378"	399.009851	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Hac-H"	59.013851
"961451"	406.976151	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+NaCOOH"	66.980151
"115827"	374.965402	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Cl"	69.938804
"558666"	544.963402	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Cl"	69.938804
"1024184"	204.967402	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Cl"	69.938804
"1248138"	418.914885	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Br"	78.918885
"1310586"	420.970872	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+HCOOH"	80.974872
"1320551"	442.952829	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+NaCOOH"	102.956829
"914768"	452.981586	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M-H+CF3COOH"	112.985586
"1295852"	488.958264	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Cl+CF3COOH"	148.962264
"1375108"	304.983324	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-2H2O"	-35.012676
"1388230"	322.9933	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H-H2O"	-17.0027
"287918"	680.999276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H"	1.007276
"684713"	1020.995276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H"	1.007276
"1358875"	341.003276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H"	1.007276
"130305"	341.003276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2H"	2.014552
"575700"	511.001276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2H"	2.014552
"1041227"	171.005276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H"	2.014552
"213501"	227.671276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H"	3.021828
"647591"	341.003276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+3H"	3.021828
"1170093"	114.339276	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3H"	3.021828
"428986"	698.025823	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+NH4"	18.033823
"800925"	1038.021823	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+NH4"	18.033823
"1686324"	358.029823	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4"	18.033823
"335696"	349.5165495	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+NH4"	19.041099
"724834"	519.5145495	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+NH4"	19.041099
"1483029"	179.5185495	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+NH4"	19.041099
"396240"	702.981218	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na"	22.989218
"759422"	1042.977218	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na"	22.989218
"1608614"	362.985218	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na"	22.989218
"319745"	351.994247	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+Na"	23.996494
"708887"	521.992247	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+Na"	23.996494
"1469269"	181.996247	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+Na"	23.996494
"1063609"	121.66659	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2H+Na"	25.00377
"1263103"	373.029486	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+CH3OH+H"	33.033486
"391156"	718.955158	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+K"	38.963158
"751788"	1058.951158	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+K"	38.963158
"1552384"	378.959158	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K"	38.963158
"309559"	359.981217	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+H+K"	39.970434
"703438"	529.979217	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+H+K"	39.970434
"1454705"	189.983217	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+K"	39.970434
"242213"	722.025826	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+H"	42.033826
"1220391"	382.029826	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+H"	42.033826
"1203181"	191.518551	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+2H"	43.041102
"197146"	724.96316	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na-H"	44.97116
"638894"	1064.95916	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na-H"	44.97116
"1145680"	384.96716	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na-H"	44.97116
"186060"	362.985218	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2Na"	45.978436
"626347"	532.983218	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2Na"	45.978436
"1125481"	192.987218	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2Na"	45.978436
"1410464"	128.993904	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+2Na"	46.985712
"1440030"	387.008746	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+HCOOH"	47.012746
"233006"	368.01824	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+3H2O+2H"	56.04448
"1518880"	401.06079	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+H"	61.06479
"422211"	370.972188	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+Na+K"	61.952376
"781386"	540.970188	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+Na+K"	61.952376
"1675888"	200.974188	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+K"	61.952376
"263139"	744.007768	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+ACN+Na"	64.015768
"1235846"	404.011768	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+ACN+Na"	64.015768
"1722925"	404.035293	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+HCOOH"	64.039293
"1188279"	136.321218	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3Na"	68.967654
"1660360"	408.990688	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+HCOOH"	68.994688
"167220"	756.91104	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K-H"	76.91904
"611155"	1096.90704	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K-H"	76.91904
"1099072"	416.91504	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K-H"	76.91904
"156621"	378.959158	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"2M+2K"	77.926316
"596958"	548.957158	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"3M+2K"	77.926316
"1084088"	208.961158	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K"	77.926316
"1104295"	418.929592	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2K+H"	78.933592
"1339588"	419.017207	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+DMSO+H"	79.021207
"1011397"	423.056376	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+H"	83.060376
"1530615"	424.050008	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+IsoProp+Na+H"	84.054008
"997065"	212.031826	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+2ACN+2H"	84.067652
"1593757"	424.964628	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+HCOOH"	84.968628
"1415406"	454.996138	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+H+CF3COOH"	115.000138
"1160643"	232.545101	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+3ACN+2H"	125.094202
"1706915"	472.022685	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+NH4+CF3COOH"	132.026685
"1649125"	476.97808	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+Na+CF3COOH"	136.98208
"1580401"	492.95202	"C05378"	"beta-D-Fructose 16-bisphosphate"	"C6H14O12P2"	"339.996"	"M+K+CF3COOH"	152.95602
"816605"	190.0114	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M"	0
"988318"	170.99301	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-H2O-H"	-19.01839
"76924"	125.666990666667	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M-3H"	-3.021828
"517575"	189.004124	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M-3H"	-3.021828
"888820"	62.3298573333333	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-3H"	-3.021828
"2288"	189.004124	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M-2H"	-2.014552
"440754"	284.009824	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M-2H"	-2.014552
"817502"	93.998424	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-2H"	-2.014552
"79766"	379.015524	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M-H"	-1.007276
"526497"	569.026924	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M-H"	-1.007276
"898463"	189.004124	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-H"	-1.007276
"55393"	396.042071	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M-2H+NH4"	16.019271
"496048"	586.053471	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M-2H+NH4"	16.019271
"877130"	206.030671	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-2H+NH4"	16.019271
"40657"	400.997466	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M-2H+Na"	20.974666
"479125"	591.008866	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M-2H+Na"	20.974666
"862397"	210.986066	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-2H+Na"	20.974666
"1631931"	210.986066	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Na-2H"	20.974666
"97524"	206.992463	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M-H+Cl"	33.962126
"538176"	301.998163	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M-H+Cl"	33.962126
"936067"	111.986763	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-H+Cl"	33.962126
"277903"	414.992202	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+Cl"	34.969402
"673608"	605.003602	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+Cl"	34.969402
"1286981"	224.980802	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Cl"	34.969402
"26381"	416.971406	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M-2H+K"	36.948606
"464850"	606.982806	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M-2H+K"	36.948606
"842651"	226.960006	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-2H+K"	36.948606
"1560671"	226.960006	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+K-2H"	36.948606
"947461"	235.009594	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-H+HCOOH"	44.998194
"370053"	425.021001	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+HCOOH-H"	44.998201
"351749"	439.036651	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+Hac-H"	59.013851
"1499488"	249.025251	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Hac-H"	59.013851
"964841"	256.991551	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-H+NaCOOH"	66.980151
"118123"	224.980802	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+2Cl"	69.938804
"558776"	319.986502	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+2Cl"	69.938804
"1025388"	129.975102	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2Cl"	69.938804
"1249341"	268.930285	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Br"	78.918885
"1309603"	270.986272	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Cl+HCOOH"	80.974872
"1320904"	292.968229	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Cl+NaCOOH"	102.956829
"913055"	302.996986	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M-H+CF3COOH"	112.985586
"1292682"	338.973664	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Cl+CF3COOH"	148.962264
"1375218"	154.998724	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H-2H2O"	-35.012676
"1388340"	173.0087	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H-H2O"	-17.0027
"288028"	381.030076	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+H"	1.007276
"684823"	571.041476	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+H"	1.007276
"1355705"	191.018676	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H"	1.007276
"126404"	191.018676	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+2H"	2.014552
"571435"	286.024376	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+2H"	2.014552
"1044611"	96.012976	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2H"	2.014552
"207411"	127.681542666667	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+3H"	3.021828
"646606"	191.018676	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+3H"	3.021828
"1165460"	64.3444093333333	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+3H"	3.021828
"428365"	398.056623	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+NH4"	18.033823
"797753"	588.068023	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+NH4"	18.033823
"1685340"	208.045223	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+NH4"	18.033823
"332526"	199.5319495	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+H+NH4"	19.041099
"724336"	294.5376495	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+H+NH4"	19.041099
"1479859"	104.5262495	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H+NH4"	19.041099
"395255"	403.012018	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+Na"	22.989218
"757346"	593.023418	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+Na"	22.989218
"1605807"	213.000618	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Na"	22.989218
"315968"	202.009647	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+H+Na"	23.996494
"708631"	297.015347	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+H+Na"	23.996494
"1468286"	107.003947	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H+Na"	23.996494
"1059344"	71.6717233333333	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2H+Na"	25.00377
"1264305"	223.044886	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+CH3OH+H"	33.033486
"387257"	418.985958	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+K"	38.963158
"751533"	608.997358	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+K"	38.963158
"1548117"	228.974558	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+K"	38.963158
"308574"	209.996617	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+H+K"	39.970434
"698810"	305.002317	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+H+K"	39.970434
"1450806"	114.990917	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H+K"	39.970434
"244511"	422.056626	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+ACN+H"	42.033826
"1215033"	232.045226	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+ACN+H"	42.033826
"1201104"	116.526251	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+ACN+2H"	43.041102
"194339"	424.99396	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+2Na-H"	44.97116
"634993"	615.00536	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+2Na-H"	44.97116
"1140322"	234.98256	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2Na-H"	44.97116
"183611"	213.000618	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+2Na"	45.978436
"624266"	308.006318	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+2Na"	45.978436
"1127411"	117.994918	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2Na"	45.978436
"1409841"	78.9990373333333	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H+2Na"	46.985712
"1442324"	237.024146	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H+HCOOH"	47.012746
"233476"	218.03364	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+3H2O+2H"	56.04448
"1521539"	251.07619	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+IsoProp+H"	61.06479
"421953"	220.987588	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+Na+K"	61.952376
"781490"	315.993288	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+Na+K"	61.952376
"1675995"	125.981888	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Na+K"	61.952376
"262515"	444.038568	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+ACN+Na"	64.015768
"1236316"	254.027168	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+ACN+Na"	64.015768
"1719754"	254.050693	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+NH4+HCOOH"	64.039293
"1188386"	86.3263513333333	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+3Na"	68.967654
"1659375"	259.006088	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Na+HCOOH"	68.994688
"166237"	456.94184	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+2K-H"	76.91904
"609077"	646.95324	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+2K-H"	76.91904
"1097842"	266.93044	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2K-H"	76.91904
"153685"	228.974558	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"2M+2K"	77.926316
"594339"	323.980258	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"3M+2K"	77.926316
"1083233"	133.968858	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2K"	77.926316
"1105500"	268.944992	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2K+H"	78.933592
"1340060"	269.032607	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+DMSO+H"	79.021207
"1009319"	273.071776	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2ACN+H"	83.060376
"1528539"	274.065408	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+IsoProp+Na+H"	84.054008
"992802"	137.039526	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+2ACN+2H"	84.067652
"1589856"	274.980028	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+K+HCOOH"	84.968628
"1414423"	305.011538	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+H+CF3COOH"	115.000138
"1152005"	157.552801	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+3ACN+2H"	125.094202
"1701557"	322.038085	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+NH4+CF3COOH"	132.026685
"1642674"	326.99348	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+Na+CF3COOH"	136.98208
"1577230"	342.96742	"C05379"	"Oxalosuccinate;Oxalosuccinic acid"	"C6H6O7"	"190.0114"	"M+K+CF3COOH"	152.95602
"814893"	180.0535	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M"	0
"986606"	161.03511	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-H2O-H"	-19.01839
"75941"	119.028390666667	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M-3H"	-3.021828
"516592"	179.046224	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M-3H"	-3.021828
"885650"	59.0105573333333	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-3H"	-3.021828
"939"	179.046224	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M-2H"	-2.014552
"441591"	269.072974	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M-2H"	-2.014552
"818419"	89.019474	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-2H"	-2.014552
"78783"	359.099724	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M-H"	-1.007276
"526607"	539.153224	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M-H"	-1.007276
"896386"	179.046224	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-H"	-1.007276
"54410"	376.126271	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M-2H+NH4"	16.019271
"495065"	556.179771	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M-2H+NH4"	16.019271
"875054"	196.072771	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-2H+NH4"	16.019271
"39674"	381.081666	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M-2H+Na"	20.974666
"482515"	561.135166	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M-2H+Na"	20.974666
"859227"	201.028166	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-2H+Na"	20.974666
"1628761"	201.028166	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Na-2H"	20.974666
"99819"	197.034563	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M-H+Cl"	33.962126
"539379"	287.061313	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M-H+Cl"	33.962126
"938364"	107.007813	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-H+Cl"	33.962126
"280200"	395.076402	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+Cl"	34.969402
"673718"	575.129902	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+Cl"	34.969402
"1286484"	215.022902	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Cl"	34.969402
"25398"	397.055606	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M-2H+K"	36.948606
"464960"	577.109106	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M-2H+K"	36.948606
"841668"	217.002106	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-2H+K"	36.948606
"1560781"	217.002106	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+K-2H"	36.948606
"946476"	225.051694	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-H+HCOOH"	44.998194
"364696"	405.105201	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+HCOOH-H"	44.998201
"349672"	419.120851	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+Hac-H"	59.013851
"1496316"	239.067351	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Hac-H"	59.013851
"964949"	247.033651	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-H+NaCOOH"	66.980151
"116045"	215.022902	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+2Cl"	69.938804
"557793"	305.049652	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+2Cl"	69.938804
"1025498"	124.996152	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2Cl"	69.938804
"1250545"	258.972385	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Br"	78.918885
"1309713"	261.028372	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Cl+HCOOH"	80.974872
"1321014"	283.010329	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Cl+NaCOOH"	102.956829
"916079"	293.039086	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M-H+CF3COOH"	112.985586
"1292063"	329.015764	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Cl+CF3COOH"	148.962264
"1375328"	145.040824	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H-2H2O"	-35.012676
"1388450"	163.0508	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H-H2O"	-17.0027
"288138"	361.114276	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+H"	1.007276
"684933"	541.167776	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+H"	1.007276
"1353263"	181.060776	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H"	1.007276
"127243"	181.060776	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+2H"	2.014552
"568629"	271.087526	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+2H"	2.014552
"1043625"	91.034026	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2H"	2.014552
"209341"	121.042942666667	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+3H"	3.021828
"646352"	181.060776	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+3H"	3.021828
"1165935"	61.0251093333333	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+3H"	3.021828
"427018"	378.140823	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+NH4"	18.033823
"796772"	558.194323	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+NH4"	18.033823
"1686543"	198.087323	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+NH4"	18.033823
"333729"	189.5740495	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+H+NH4"	19.041099
"726150"	279.6007995	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+H+NH4"	19.041099
"1479969"	99.5472995	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H+NH4"	19.041099
"395365"	383.096218	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+Na"	22.989218
"756364"	563.149718	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+Na"	22.989218
"1604462"	203.042718	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Na"	22.989218
"321060"	192.051747	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+H+Na"	23.996494
"710199"	282.078497	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+H+Na"	23.996494
"1469489"	102.024997	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H+Na"	23.996494
"1059455"	68.3524233333333	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2H+Na"	25.00377
"1265507"	213.086986	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+CH3OH+H"	33.033486
"389552"	399.070158	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+K"	38.963158
"749456"	579.123658	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+K"	38.963158
"1548227"	219.016658	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+K"	38.963158
"310872"	200.038717	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+H+K"	39.970434
"702200"	290.065467	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+H+K"	39.970434
"1452739"	110.011967	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H+K"	39.970434
"243526"	402.140826	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+ACN+H"	42.033826
"1214050"	222.087326	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+ACN+H"	42.033826
"1200121"	111.547301	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+ACN+2H"	43.041102
"196270"	405.07816	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+2Na-H"	44.97116
"634739"	585.13166	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+2Na-H"	44.97116
"1141525"	225.02466	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2Na-H"	44.97116
"180441"	203.042718	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+2Na"	45.978436
"621096"	293.069468	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+2Na"	45.978436
"1126064"	113.015968	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2Na"	45.978436
"1409223"	75.6797373333333	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H+2Na"	46.985712
"1441706"	227.066246	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H+HCOOH"	47.012746
"232494"	208.07574	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+3H2O+2H"	56.04448
"1521285"	241.11829	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+IsoProp+H"	61.06479
"421699"	211.029688	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+Na+K"	61.952376
"781965"	301.056438	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+Na+K"	61.952376
"1675012"	121.002938	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Na+K"	61.952376
"260438"	424.122768	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+ACN+Na"	64.015768
"1237518"	244.069268	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+ACN+Na"	64.015768
"1722779"	244.092793	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+NH4+HCOOH"	64.039293
"1189954"	83.0070513333333	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+3Na"	68.967654
"1659485"	249.048188	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Na+HCOOH"	68.994688
"166346"	437.02604	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+2K-H"	76.91904
"609187"	617.07954	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+2K-H"	76.91904
"1096979"	256.97254	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2K-H"	76.91904
"152701"	219.016658	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"2M+2K"	77.926316
"594449"	309.043408	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"3M+2K"	77.926316
"1083587"	128.989908	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2K"	77.926316
"1107797"	258.987092	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2K+H"	78.933592
"1338349"	259.074707	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+DMSO+H"	79.021207
"1008702"	263.113876	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2ACN+H"	83.060376
"1528649"	264.107508	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+IsoProp+Na+H"	84.054008
"992183"	132.060576	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+2ACN+2H"	84.067652
"1588509"	265.022128	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+K+HCOOH"	84.968628
"1414533"	295.053638	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+H+CF3COOH"	115.000138
"1151386"	152.573851	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+3ACN+2H"	125.094202
"1701667"	312.080185	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+NH4+CF3COOH"	132.026685
"1637317"	317.03558	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+Na+CF3COOH"	136.98208
"1574060"	333.00952	"C05380"	"Nicotinurate;Nicotinuric acid;Nicotinylglycine"	"C8H8N2O3"	"180.0535"	"M+K+CF3COOH"	152.95602
"814274"	527.0767	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M"	0
"987810"	508.05831	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-H2O-H"	-19.01839
"74957"	350.377190666667	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M-3H"	-3.021828
"516702"	526.069424	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M-3H"	-3.021828
"883574"	174.684957333333	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-3H"	-3.021828
"2142"	526.069424	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M-2H"	-2.014552
"440164"	789.607774	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M-2H"	-2.014552
"817683"	262.531074	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-2H"	-2.014552
"79012"	1053.146124	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M-H"	-1.007276
"519302"	1580.222824	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M-H"	-1.007276
"897589"	526.069424	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-H"	-1.007276
"52333"	1070.172671	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M-2H+NH4"	16.019271
"495174"	1597.249371	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M-2H+NH4"	16.019271
"866774"	543.095971	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-2H+NH4"	16.019271
"36503"	1075.128066	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M-2H+Na"	20.974666
"477158"	1602.204766	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M-2H+Na"	20.974666
"862617"	548.051366	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-2H+Na"	20.974666
"1631058"	548.051366	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Na-2H"	20.974666
"95921"	544.057763	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M-H+Cl"	33.962126
"540585"	807.596113	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M-H+Cl"	33.962126
"937380"	280.519413	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-H+Cl"	33.962126
"278123"	1089.122802	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+Cl"	34.969402
"674556"	1616.199502	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+Cl"	34.969402
"1285135"	562.046102	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Cl"	34.969402
"28788"	1091.102006	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M-2H+K"	36.948606
"468353"	1618.178706	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M-2H+K"	36.948606
"841778"	564.025306	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-2H+K"	36.948606
"1564171"	564.025306	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+K-2H"	36.948606
"950959"	572.074894	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-H+HCOOH"	44.998194
"369180"	1099.151601	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+HCOOH-H"	44.998201
"353063"	1113.167251	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+Hac-H"	59.013851
"1499707"	586.090551	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Hac-H"	59.013851
"966153"	594.056851	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-H+NaCOOH"	66.980151
"119434"	562.046102	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+2Cl"	69.938804
"560088"	825.584452	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+2Cl"	69.938804
"1032170"	298.507752	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2Cl"	69.938804
"1251748"	605.995585	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Br"	78.918885
"1307636"	608.051572	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Cl+HCOOH"	80.974872
"1321852"	630.033529	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Cl+NaCOOH"	102.956829
"917281"	640.062286	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M-H+CF3COOH"	112.985586
"1291809"	676.038964	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Cl+CF3COOH"	148.962264
"1375438"	492.064024	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H-2H2O"	-35.012676
"1388560"	510.074	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H-H2O"	-17.0027
"289341"	1055.160676	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+H"	1.007276
"685043"	1582.237376	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+H"	1.007276
"1353373"	528.083976	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H"	1.007276
"128081"	528.083976	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+2H"	2.014552
"569103"	791.622326	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+2H"	2.014552
"1043735"	264.545626	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2H"	2.014552
"209451"	352.391742666667	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+3H"	3.021828
"647191"	528.083976	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+3H"	3.021828
"1166043"	176.699509333333	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+3H"	3.021828
"428949"	1072.187223	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+NH4"	18.033823
"792510"	1599.263923	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+NH4"	18.033823
"1681623"	545.110523	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+NH4"	18.033823
"333839"	536.5972495	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+H+NH4"	19.041099
"723586"	800.1355995	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+H+NH4"	19.041099
"1478984"	273.0588995	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H+NH4"	19.041099
"394745"	1077.142618	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+Na"	22.989218
"755013"	1604.219318	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+Na"	22.989218
"1602858"	550.065918	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Na"	22.989218
"316797"	539.074947	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+H+Na"	23.996494
"707262"	802.613297	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+H+Na"	23.996494
"1461942"	275.536597	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H+Na"	23.996494
"1058471"	184.026823333333	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2H+Na"	25.00377
"1262338"	560.110186	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+CH3OH+H"	33.033486
"383102"	1093.116558	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+K"	38.963158
"749566"	1620.193258	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+K"	38.963158
"1546150"	566.039858	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+K"	38.963158
"306607"	547.061917	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+H+K"	39.970434
"701216"	810.600267	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+H+K"	39.970434
"1448110"	283.523567	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H+K"	39.970434
"240355"	1096.187226	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+ACN+H"	42.033826
"1211243"	569.110526	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+ACN+H"	42.033826
"1196948"	285.058901	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+ACN+2H"	43.041102
"193098"	1099.12456	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+2Na-H"	44.97116
"634847"	1626.20126	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+2Na-H"	44.97116
"1134709"	572.04786	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2Na-H"	44.97116
"183830"	550.065918	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+2Na"	45.978436
"626431"	813.604268	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+2Na"	45.978436
"1119608"	286.527568	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2Na"	45.978436
"1411156"	191.354137333333	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H+2Na"	46.985712
"1443274"	574.089446	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H+HCOOH"	47.012746
"234061"	555.09894	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+3H2O+2H"	56.04448
"1521760"	588.14149	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+IsoProp+H"	61.06479
"421077"	558.052888	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+Na+K"	61.952376
"778790"	821.591238	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+Na+K"	61.952376
"1675122"	294.514538	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Na+K"	61.952376
"260548"	1118.169168	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+ACN+Na"	64.015768
"1237628"	591.092468	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+ACN+Na"	64.015768
"1725077"	591.115993	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+NH4+HCOOH"	64.039293
"1190792"	198.681451333333	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+3Na"	68.967654
"1660688"	596.071388	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Na+HCOOH"	68.994688
"167549"	1131.07244	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+2K-H"	76.91904
"608203"	1658.14914	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+2K-H"	76.91904
"1097819"	603.99574	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2K-H"	76.91904
"152810"	566.039858	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"2M+2K"	77.926316
"594559"	829.578208	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"3M+2K"	77.926316
"1082963"	302.501508	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2K"	77.926316
"1110094"	606.010292	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2K+H"	78.933592
"1342105"	606.097907	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+DMSO+H"	79.021207
"1008448"	610.137076	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2ACN+H"	83.060376
"1532040"	611.130708	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+IsoProp+Na+H"	84.054008
"991929"	305.572176	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+2ACN+2H"	84.067652
"1588619"	612.045328	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+K+HCOOH"	84.968628
"1414440"	642.076838	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+H+CF3COOH"	115.000138
"1151131"	326.085451	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+3ACN+2H"	125.094202
"1701047"	659.103385	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+NH4+CF3COOH"	132.026685
"1639614"	664.05878	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+Na+CF3COOH"	136.98208
"1574170"	680.03272	"C05381"	"3-Carboxy-1-hydroxypropyl-ThPP;Succinate semialdehyde-thiamin diphosphate"	"C16H25N4O10P2S"	"527.0767"	"M+K+CF3COOH"	152.95602
"815842"	290.0403	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"987915"	271.02191	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"77251"	192.352924	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"516812"	289.033024	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"881497"	95.672824	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"4438"	289.033024	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"441814"	434.053174	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"818522"	144.012874	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"79607"	579.073324	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"519776"	869.113624	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"898429"	289.033024	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"52443"	596.099871	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"494191"	886.140171	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"867248"	306.059571	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"34789"	601.055266	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"478361"	891.095566	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"861999"	311.014966	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1632872"	311.014966	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"95667"	307.021363	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"540695"	452.041513	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"934210"	162.001213	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"274953"	615.050002	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"673938"	905.090302	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1285974"	325.009702	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"27440"	617.029206	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"468463"	907.069506	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"841889"	326.988906	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1565375"	326.988906	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"949976"	335.038494	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"369290"	625.078801	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"352080"	639.094451	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1499087"	349.054151	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"967355"	357.020451	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"115172"	325.009702	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"555823"	470.029852	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1028998"	179.989552	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1251860"	368.959185	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1309933"	371.015172	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1324149"	392.997129	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"914113"	403.025886	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1294106"	439.002564	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1373362"	255.027624	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1388670"	273.0376	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"288358"	581.087876	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"685153"	871.128176	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1353119"	291.047576	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"131109"	291.047576	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"568848"	436.067726	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1043845"	146.027426	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"208100"	194.367476	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"649121"	291.047576	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1167606"	97.687376	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"430881"	598.114423	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"793714"	888.154723	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1682019"	308.074123	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"331762"	299.5608495	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"724545"	444.5809995	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1480187"	154.5406995	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"394247"	603.069818	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"756582"	893.110118	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1603462"	313.029518	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"316908"	302.038547	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"707986"	447.058697	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1464240"	157.018397	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1056758"	105.01469	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1262448"	323.073786	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"379931"	619.043758	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"745301"	909.084058	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1546260"	329.003458	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"304530"	310.025517	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"699138"	455.045667	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1446154"	165.005367	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"239371"	622.114426	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1212445"	332.074126	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1196329"	166.540701	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"192115"	625.05176	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"632041"	915.09206	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1134819"	335.01146	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"183576"	313.029518	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"623502"	458.049668	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1118259"	168.009368	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1405067"	112.342004	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1439369"	337.053046	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"231251"	318.06254	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1520409"	351.10509	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"420094"	321.016488	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"779994"	466.036638	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1675231"	175.996338	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"258471"	644.096368	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1236644"	354.056068	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1724454"	354.079593	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1190902"	119.669318	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1659705"	359.034988	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"166567"	656.99964	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"607220"	947.03994	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1096106"	366.95934	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"155107"	329.003458	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"595761"	474.023608	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1079184"	183.983308	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1106923"	368.973892	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1342215"	369.061507	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1009652"	373.100676	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1532151"	374.094308	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"994226"	187.053976	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1588729"	375.008928	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1414264"	405.040438	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1152334"	207.567251	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1704073"	422.066985	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1639724"	427.02238	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1574280"	442.99632	"C05382"	"Sedoheptulose 7-phosphate;D-Sedoheptulose 7-phosphate;D-altro-Heptulose 7-phosphate;altro-Heptulose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"816435"	274.009	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M"	0
"989694"	254.99061	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-H2O-H"	-19.01839
"76269"	181.665390666667	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M-3H"	-3.021828
"516922"	273.001724	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M-3H"	-3.021828
"883793"	90.3290573333333	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-3H"	-3.021828
"3457"	273.001724	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M-2H"	-2.014552
"442288"	410.006224	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M-2H"	-2.014552
"820087"	135.997224	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-2H"	-2.014552
"80812"	547.010724	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M-H"	-1.007276
"521102"	821.019724	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M-H"	-1.007276
"900364"	273.001724	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-H"	-1.007276
"50362"	564.037271	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M-2H+NH4"	16.019271
"496488"	838.046271	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M-2H+NH4"	16.019271
"871009"	290.028271	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-2H+NH4"	16.019271
"41098"	568.992666	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M-2H+Na"	20.974666
"480658"	843.001666	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M-2H+Na"	20.974666
"862838"	294.983666	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-2H+Na"	20.974666
"1632743"	294.983666	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Na-2H"	20.974666
"106713"	290.990063	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M-H+Cl"	33.962126
"540806"	427.994563	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M-H+Cl"	33.962126
"942219"	153.985563	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-H+Cl"	33.962126
"278344"	582.987402	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+Cl"	34.969402
"674659"	856.996402	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+Cl"	34.969402
"1286089"	308.978402	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Cl"	34.969402
"27915"	584.966606	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M-2H+K"	36.948606
"467475"	858.975606	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M-2H+K"	36.948606
"843094"	310.957606	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-2H+K"	36.948606
"1566579"	310.957606	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+K-2H"	36.948606
"951181"	319.007194	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-H+HCOOH"	44.998194
"368306"	593.016201	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+HCOOH-H"	44.998201
"352190"	607.031851	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+Hac-H"	59.013851
"1499561"	333.022851	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Hac-H"	59.013851
"965283"	340.989151	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-H+NaCOOH"	66.980151
"120752"	308.978402	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+2Cl"	69.938804
"559214"	445.982902	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+2Cl"	69.938804
"1030199"	171.973902	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2Cl"	69.938804
"1250873"	352.927885	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Br"	78.918885
"1313321"	354.983872	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Cl+HCOOH"	80.974872
"1331912"	376.965829	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Cl+NaCOOH"	102.956829
"916408"	386.994586	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M-H+CF3COOH"	112.985586
"1288823"	422.971264	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Cl+CF3COOH"	148.962264
"1374566"	238.996324	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H-2H2O"	-35.012676
"1392062"	257.0063	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H-H2O"	-17.0027
"289562"	549.025276	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+H"	1.007276
"683078"	823.034276	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+H"	1.007276
"1361613"	275.016276	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H"	1.007276
"134501"	275.016276	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+2H"	2.014552
"575156"	412.020776	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+2H"	2.014552
"1042862"	138.011776	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2H"	2.014552
"209671"	183.679942666667	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+3H"	3.021828
"650324"	275.016276	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+3H"	3.021828
"1171730"	92.3436093333333	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+3H"	3.021828
"430642"	566.051823	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+NH4"	18.033823
"794915"	840.060823	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+NH4"	18.033823
"1685779"	292.042823	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+NH4"	18.033823
"331874"	283.5295495	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+H+NH4"	19.041099
"724656"	420.5340495	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+H+NH4"	19.041099
"1480301"	146.5250495	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H+NH4"	19.041099
"395333"	571.007218	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+Na"	22.989218
"755843"	845.016218	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+Na"	22.989218
"1606981"	296.998218	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Na"	22.989218
"316290"	286.007247	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+H+Na"	23.996494
"711627"	423.011747	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+H+Na"	23.996494
"1467635"	149.002747	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H+Na"	23.996494
"1063067"	99.6709233333333	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2H+Na"	25.00377
"1264747"	307.042486	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+CH3OH+H"	33.033486
"383322"	586.981158	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+K"	38.963158
"752339"	860.990158	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+K"	38.963158
"1549651"	312.972158	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+K"	38.963158
"307921"	293.994217	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+H+K"	39.970434
"701435"	430.998717	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+H+K"	39.970434
"1446508"	156.989717	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H+K"	39.970434
"237296"	590.051826	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+ACN+H"	42.033826
"1212557"	316.042826	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+ACN+H"	42.033826
"1201545"	158.525051	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+ACN+2H"	43.041102
"193322"	592.98916	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+2Na-H"	44.97116
"631180"	866.99816	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+2Na-H"	44.97116
"1136389"	318.98016	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2Na-H"	44.97116
"182959"	296.998218	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+2Na"	45.978436
"619239"	434.002718	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+2Na"	45.978436
"1120558"	159.993718	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2Na"	45.978436
"1404084"	106.998237333333	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H+2Na"	46.985712
"1439481"	321.021746	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H+HCOOH"	47.012746
"224802"	302.03124	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+3H2O+2H"	56.04448
"1516145"	335.07379	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+IsoProp+H"	61.06479
"415830"	304.985188	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+Na+K"	61.952376
"775731"	441.989688	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+Na+K"	61.952376
"1669145"	167.980688	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Na+K"	61.952376
"257485"	612.033768	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+ACN+Na"	64.015768
"1238598"	338.024768	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+ACN+Na"	64.015768
"1726754"	338.048293	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+NH4+HCOOH"	64.039293
"1193689"	114.325551333333	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+3Na"	68.967654
"1664918"	343.003688	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Na+HCOOH"	68.994688
"172146"	624.93704	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+2K-H"	76.91904
"612435"	898.94604	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+2K-H"	76.91904
"1099377"	350.92804	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2K-H"	76.91904
"156913"	312.972158	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"2M+2K"	77.926316
"597090"	449.976658	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"3M+2K"	77.926316
"1084167"	175.967658	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2K"	77.926316
"1107033"	352.942592	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2K+H"	78.933592
"1347790"	353.030207	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+DMSO+H"	79.021207
"1014134"	357.069376	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2ACN+H"	83.060376
"1533354"	358.063008	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+IsoProp+Na+H"	84.054008
"997614"	179.038326	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+2ACN+2H"	84.067652
"1593213"	358.977628	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+K+HCOOH"	84.968628
"1419967"	389.009138	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+H+CF3COOH"	115.000138
"1157911"	199.551601	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+3ACN+2H"	125.094202
"1705278"	406.035685	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+NH4+CF3COOH"	132.026685
"1646394"	410.99108	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+Na+CF3COOH"	136.98208
"1573659"	426.96502	"C05385"	"D-Glucuronate 1-phosphate;1-Phospho-alpha-D-glucuronate"	"C6H11O10P"	"274.009"	"M+K+CF3COOH"	152.95602
"816667"	589.0822	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M"	0
"987039"	570.06381	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H2O-H"	-19.01839
"76015"	391.714190666667	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-3H"	-3.021828
"516304"	588.074924	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-3H"	-3.021828
"882079"	195.353457333333	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-3H"	-3.021828
"771"	588.074924	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H"	-2.014552
"442400"	882.616024	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H"	-2.014552
"818739"	293.533824	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H"	-2.014552
"79829"	1177.157124	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-H"	-1.007276
"521213"	1766.239324	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-H"	-1.007276
"899379"	588.074924	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H"	-1.007276
"49744"	1194.183671	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+NH4"	16.019271
"492223"	1783.265871	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+NH4"	16.019271
"871119"	605.101471	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H+NH4"	16.019271
"41208"	1199.139066	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+Na"	20.974666
"480768"	1788.221266	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+Na"	20.974666
"863802"	610.056866	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H+Na"	20.974666
"1629929"	610.056866	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na-2H"	20.974666
"108525"	606.063263	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-H+Cl"	33.962126
"547477"	900.604363	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-H+Cl"	33.962126
"942615"	311.522163	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+Cl"	33.962126
"282593"	1213.133802	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Cl"	34.969402
"675014"	1802.216002	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+Cl"	34.969402
"1285470"	624.051602	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl"	34.969402
"30212"	1215.113006	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+K"	36.948606
"467588"	1804.195206	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+K"	36.948606
"842113"	626.030806	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-2H+K"	36.948606
"1563413"	626.030806	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K-2H"	36.948606
"951295"	634.080394	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+HCOOH"	44.998194
"369511"	1223.162601	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+HCOOH-H"	44.998201
"356676"	1237.178251	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Hac-H"	59.013851
"1502225"	648.096051	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Hac-H"	59.013851
"970859"	656.062351	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+NaCOOH"	66.980151
"120862"	624.051602	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2Cl"	69.938804
"563701"	918.592702	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2Cl"	69.938804
"1035780"	329.510502	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2Cl"	69.938804
"1252076"	668.001085	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Br"	78.918885
"1316712"	670.057072	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+HCOOH"	80.974872
"1329835"	692.039029	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+NaCOOH"	102.956829
"919798"	702.067786	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M-H+CF3COOH"	112.985586
"1290677"	738.044464	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+CF3COOH"	148.962264
"1372486"	554.069524	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H-2H2O"	-35.012676
"1391077"	572.0795	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H-H2O"	-17.0027
"292952"	1179.171676	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H"	1.007276
"686469"	1768.253876	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H"	1.007276
"1361724"	590.089476	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H"	1.007276
"131331"	590.089476	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2H"	2.014552
"570894"	884.630576	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2H"	2.014552
"1047349"	295.548376	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2H"	2.014552
"208690"	393.728742666667	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+3H"	3.021828
"652623"	590.089476	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+3H"	3.021828
"1171841"	197.368009333333	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+3H"	3.021828
"431845"	1196.198223	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+NH4"	18.033823
"792839"	1785.280423	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+NH4"	18.033823
"1686983"	607.116023	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+NH4"	18.033823
"331984"	598.6027495	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H+NH4"	19.041099
"725132"	893.1438495	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H+NH4"	19.041099
"1479318"	304.0616495	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+NH4"	19.041099
"396905"	1201.153618	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Na"	22.989218
"754984"	1790.235818	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+Na"	22.989218
"1604293"	612.071418	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na"	22.989218
"322596"	601.080447	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H+Na"	23.996494
"713925"	895.621547	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H+Na"	23.996494
"1469933"	306.539347	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+Na"	23.996494
"1064270"	204.695323333333	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2H+Na"	25.00377
"1264857"	622.115686	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+CH3OH+H"	33.033486
"383432"	1217.127558	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+K"	38.963158
"753176"	1806.209758	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+K"	38.963158
"1549761"	628.045358	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K"	38.963158
"308031"	609.067417	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+H+K"	39.970434
"699360"	903.608517	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+H+K"	39.970434
"1446980"	314.526317	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+K"	39.970434
"238498"	1220.198226	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+H"	42.033826
"1213394"	631.116026	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+H"	42.033826
"1200562"	316.061651	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+2H"	43.041102
"194527"	1223.13556	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na-H"	44.97116
"634449"	1812.21776	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na-H"	44.97116
"1134310"	634.05336	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2Na-H"	44.97116
"179791"	612.071418	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na"	45.978436
"623723"	906.612518	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na"	45.978436
"1118482"	317.530318	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2Na"	45.978436
"1403099"	212.022637333333	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+2Na"	46.985712
"1440682"	636.094946	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+HCOOH"	47.012746
"229284"	617.10444	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+3H2O+2H"	56.04448
"1518440"	650.14699	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+H"	61.06479
"415939"	620.058388	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+Na+K"	61.952376
"779121"	914.599488	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+Na+K"	61.952376
"1669255"	325.517288	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na+K"	61.952376
"256503"	1242.180168	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+Na"	64.015768
"1235792"	653.097968	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+Na"	64.015768
"1722490"	653.121493	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+HCOOH"	64.039293
"1191854"	219.349951333333	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+3Na"	68.967654
"1661017"	658.076888	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na+HCOOH"	68.994688
"168973"	1255.08344	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2K-H"	76.91904
"608534"	1844.16564	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2K-H"	76.91904
"1095234"	666.00124	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2K-H"	76.91904
"153142"	628.045358	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"2M+2K"	77.926316
"594887"	922.586458	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"3M+2K"	77.926316
"1078308"	333.504258	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2K"	77.926316
"1103863"	668.015792	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2K+H"	78.933592
"1344620"	668.103407	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+DMSO+H"	79.021207
"1014244"	672.142576	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+H"	83.060376
"1530183"	673.136208	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+Na+H"	84.054008
"998818"	336.574926	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+2H"	84.067652
"1594416"	674.050828	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K+HCOOH"	84.968628
"1422263"	704.082338	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+H+CF3COOH"	115.000138
"1154738"	357.088201	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+3ACN+2H"	125.094202
"1704292"	721.108885	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+CF3COOH"	132.026685
"1643224"	726.06428	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+Na+CF3COOH"	136.98208
"1573404"	742.03822	"C05386"	"GDP-6-deoxy-L-mannose;GDP-L-rhamnose"	"C16H25N5O15P2"	"589.0822"	"M+K+CF3COOH"	152.95602
"808150"	178.0477	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M"	0
"986060"	159.02931	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"76854"	117.691190666667	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"508397"	177.040424	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"884013"	58.3419573333333	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"5868"	177.040424	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"444334"	266.064274	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"817757"	88.016574	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"80300"	355.088124	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"524969"	533.135824	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"899124"	177.040424	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51679"	372.114671	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"492332"	550.162371	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"877068"	194.066971	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"40225"	377.070066	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"486349"	555.117766	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"863788"	199.022366	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1628218"	199.022366	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"105841"	195.028763	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"547588"	284.052613	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"941103"	106.004913	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"282497"	391.064802	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"670990"	569.112502	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1287526"	213.017102	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"28139"	393.044006	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"465514"	571.091706	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"840034"	214.996306	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1564614"	214.996306	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"952497"	223.045894	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"371809"	401.093601	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"356785"	415.109251	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1502335"	237.061551	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"970970"	245.027851	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"122064"	213.017102	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"559437"	302.040952	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1031515"	123.993252	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1256200"	256.966585	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1314635"	259.022572	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1326664"	281.004529	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"918816"	291.033286	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1290788"	327.009964	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1372596"	143.035024	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1393376"	161.045	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"293063"	357.102676	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"686579"	535.150376	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1362563"	179.054976	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"131441"	179.054976	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"569907"	268.078826	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1041987"	90.031126	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"210981"	119.705742666667	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"652734"	179.054976	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1171964"	60.3565093333333	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"429768"	374.129223	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"789671"	552.176923	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1683814"	196.081523	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"332091"	187.5682495	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"724391"	276.5920995	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1480522"	98.5443995	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"395922"	379.084618	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"761289"	557.132318	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1605015"	201.036918	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"322706"	190.045947	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"714033"	279.069797	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1472231"	101.022097	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1063287"	67.6838233333333	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1263872"	211.081186	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"384636"	395.058558	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"750005"	573.106258	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1546591"	217.010858	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"307048"	198.032917	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"693635"	287.056767	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1445996"	109.009067	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"237516"	398.129226	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1211317"	220.081526	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1197391"	110.544401	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"191720"	401.06656	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"633467"	579.11426	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1136608"	223.01886	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"175889"	201.036918	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"621645"	290.060768	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1120778"	112.013068	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1402116"	75.0111373333333	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1436418"	225.060446	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"227207"	206.06994	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1516363"	239.11249	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"414956"	209.023888	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"773763"	298.047738	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1676654"	120.000038	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"262097"	420.111168	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1238817"	242.063468	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1724785"	242.086993	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1192329"	82.3384513333333	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1662221"	247.042388	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"170176"	433.01444	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"611803"	611.06214	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1098500"	254.96674	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"154345"	217.010858	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"593904"	306.034708	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1074044"	127.987008	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1107253"	256.981292	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1342543"	257.068907	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1012167"	261.108076	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1531387"	262.101708	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"994556"	131.057676	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1596713"	263.016328	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1422373"	293.047838	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1155942"	151.570951	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1703307"	310.074385	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1636404"	315.02978	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1572057"	331.00372	"C05394"	"3-Keto-beta-D-galactose"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"808260"	422.0825	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M"	0
"982890"	403.06411	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"74777"	280.381057333333	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"508507"	421.075224	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"884121"	139.686890666667	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"1603"	421.075224	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"440673"	632.116474	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"817662"	210.033974	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"84426"	843.157724	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"525080"	1265.240224	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"905070"	421.075224	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"50697"	860.184271	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"495725"	1282.266771	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"877904"	438.101771	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"40335"	865.139666	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"482085"	1287.222166	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"862924"	443.057166	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1627233"	443.057166	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"109231"	439.063563	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"548791"	650.104813	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"941581"	228.022313	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"282082"	879.134402	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"672927"	1301.216902	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1286783"	457.051902	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"26063"	881.113606	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"464531"	1303.196106	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"844519"	459.031106	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1566912"	459.031106	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"953700"	467.080694	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"369732"	889.163201	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"355801"	903.178851	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1501351"	481.096351	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"969987"	489.062651	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"119987"	457.051902	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"559547"	668.093152	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1029438"	246.010652	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1253393"	501.001385	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1312558"	503.057372	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1324587"	525.039329	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"915646"	535.068086	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1290534"	571.044764	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1372706"	387.069824	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1390205"	405.0798	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"294266"	845.172276	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"686690"	1267.254776	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1359755"	423.089776	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"131552"	423.089776	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"571111"	634.131026	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1043190"	212.048526	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"208905"	282.395609333333	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"652843"	423.089776	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1174258"	141.701442666667	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"432065"	862.198823	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"786501"	1284.281323	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1685019"	440.116323	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"331473"	431.6030495	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"724258"	642.6442995	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1481726"	220.5617995	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"398219"	867.154218	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"760306"	1289.236718	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1604274"	445.071718	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"319536"	434.080747	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"716330"	645.121997	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1472341"	223.039497	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1062303"	149.028756666667	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1265075"	455.115986	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"385839"	883.128158	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"749021"	1305.210658	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1546701"	461.045658	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"308250"	442.067717	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"692290"	653.108967	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1445757"	231.026467	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"236532"	886.198826	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1211063"	464.116326	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1198594"	232.561801	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"190372"	889.13616	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"633213"	1311.21866	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1134529"	467.05366	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"174906"	445.071718	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"620662"	656.112968	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1121981"	234.030468	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1404413"	156.356070666667	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1436528"	469.095246	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"225130"	450.10474	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1512099"	483.14729	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"413972"	453.058688	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"772780"	664.099938	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1671296"	242.017438	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"263300"	908.180768	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1239291"	486.098268	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1724895"	486.121793	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1192804"	163.683384666667	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1663425"	491.077188	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"172517"	921.08404	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"612399"	1343.16654	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1099462"	499.00154	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"156520"	461.045658	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"595107"	672.086908	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1074154"	250.004408	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1110643"	501.016092	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1342653"	501.103707	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1013370"	505.142876	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1532591"	506.136508	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"995759"	253.075076	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1595730"	507.051128	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1421390"	537.082638	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1154959"	273.588351	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1700137"	554.109185	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1635786"	559.06458	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1571559"	575.03852	"C05396"	"Lactose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"808370"	344.1319	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M"	0
"983000"	325.11351	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-H2O-H"	-19.01839
"73428"	228.413990666667	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M-3H"	-3.021828
"509710"	343.124624	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M-3H"	-3.021828
"888606"	113.703357333333	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-3H"	-3.021828
"4994"	343.124624	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M-2H"	-2.014552
"442365"	515.190574	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M-2H"	-2.014552
"817614"	171.058674	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-2H"	-2.014552
"79673"	687.256524	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M-H"	-1.007276
"529565"	1031.388424	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M-H"	-1.007276
"906275"	343.124624	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-H"	-1.007276
"52994"	704.283071	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M-2H+NH4"	16.019271
"495836"	1048.414971	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M-2H+NH4"	16.019271
"879109"	360.151171	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-2H+NH4"	16.019271
"41539"	709.238466	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M-2H+Na"	20.974666
"485478"	1053.370366	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M-2H+Na"	20.974666
"856716"	365.106566	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-2H+Na"	20.974666
"1628439"	365.106566	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Na-2H"	20.974666
"104967"	361.112963	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M-H+Cl"	33.962126
"545991"	533.178913	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M-H+Cl"	33.962126
"939870"	189.047013	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-H+Cl"	33.962126
"279881"	723.233202	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+Cl"	34.969402
"672304"	1067.365102	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+Cl"	34.969402
"1282520"	379.101302	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Cl"	34.969402
"25078"	725.212406	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M-2H+K"	36.948606
"465734"	1069.344306	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M-2H+K"	36.948606
"841349"	381.080506	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-2H+K"	36.948606
"1564837"	381.080506	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+K-2H"	36.948606
"952719"	389.130094	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-H+HCOOH"	44.998194
"369839"	733.262001	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+HCOOH-H"	44.998201
"355912"	747.277651	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+Hac-H"	59.013851
"1502555"	403.145751	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Hac-H"	59.013851
"967910"	411.112051	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-H+NaCOOH"	66.980151
"120097"	379.101302	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+2Cl"	69.938804
"559657"	551.167252	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+2Cl"	69.938804
"1026268"	207.035352	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2Cl"	69.938804
"1249127"	423.050785	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Br"	78.918885
"1311576"	425.106772	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Cl+HCOOH"	80.974872
"1321782"	447.088729	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Cl+NaCOOH"	102.956829
"912351"	457.117486	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M-H+CF3COOH"	112.985586
"1290644"	493.094164	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Cl+CF3COOH"	148.962264
"1367830"	309.119224	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H-2H2O"	-35.012676
"1386669"	327.1292	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H-H2O"	-17.0027
"293286"	689.271076	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+H"	1.007276
"685707"	1033.402976	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+H"	1.007276
"1359869"	345.139176	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H"	1.007276
"134945"	345.139176	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+2H"	2.014552
"571225"	517.205126	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+2H"	2.014552
"1041118"	173.073226	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2H"	2.014552
"209020"	230.428542666667	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+3H"	3.021828
"651860"	345.139176	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+3H"	3.021828
"1176555"	115.717909333333	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+3H"	3.021828
"434361"	706.297623	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+NH4"	18.033823
"789891"	1050.429523	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+NH4"	18.033823
"1687316"	362.165723	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+NH4"	18.033823
"332312"	353.6524495	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+H+NH4"	19.041099
"726922"	525.7183995	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+H+NH4"	19.041099
"1482930"	181.5864995	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H+NH4"	19.041099
"400516"	711.253018	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+Na"	22.989218
"761510"	1055.384918	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+Na"	22.989218
"1606329"	367.121118	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Na"	22.989218
"321834"	356.130147	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+H+Na"	23.996494
"717534"	528.196097	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+H+Na"	23.996494
"1475489"	184.064197	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H+Na"	23.996494
"1063507"	123.045223333333	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2H+Na"	25.00377
"1264093"	377.165386	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+CH3OH+H"	33.033486
"385949"	727.226958	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+K"	38.963158
"749131"	1071.358858	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+K"	38.963158
"1553252"	383.095058	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+K"	38.963158
"307268"	364.117117	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+H+K"	39.970434
"692396"	536.183067	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+H+K"	39.970434
"1447674"	192.051167	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H+K"	39.970434
"238464"	730.297626	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+ACN+H"	42.033826
"1212630"	386.165726	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+ACN+H"	42.033826
"1197245"	193.586501	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+ACN+2H"	43.041102
"191209"	733.23496	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+2Na-H"	44.97116
"633322"	1077.36686	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+2Na-H"	44.97116
"1135368"	389.10306	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2Na-H"	44.97116
"176840"	367.121118	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+2Na"	45.978436
"620773"	539.187068	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+2Na"	45.978436
"1118811"	195.055168	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2Na"	45.978436
"1408169"	130.372537333333	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H+2Na"	46.985712
"1434452"	391.144646	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H+HCOOH"	47.012746
"225241"	372.15414	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+3H2O+2H"	56.04448
"1513303"	405.19669	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+IsoProp+H"	61.06479
"419552"	375.108088	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+Na+K"	61.952376
"777265"	547.174038	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+Na+K"	61.952376
"1673231"	203.042138	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Na+K"	61.952376
"259035"	752.279568	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+ACN+Na"	64.015768
"1235024"	408.147668	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+ACN+Na"	64.015768
"1721723"	408.171193	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+NH4+HCOOH"	64.039293
"1191453"	137.699851333333	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+3Na"	68.967654
"1663170"	413.126588	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Na+HCOOH"	68.994688
"171490"	765.18284	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+2K-H"	76.91904
"611051"	1109.31474	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+2K-H"	76.91904
"1099331"	421.05094	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2K-H"	76.91904
"155657"	383.095058	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"2M+2K"	77.926316
"595096"	555.161008	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"3M+2K"	77.926316
"1072077"	211.029108	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2K"	77.926316
"1105286"	423.065492	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2K+H"	78.933592
"1340576"	423.153107	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+DMSO+H"	79.021207
"1016761"	427.192276	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2ACN+H"	83.060376
"1532700"	428.185908	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+IsoProp+Na+H"	84.054008
"995867"	214.099776	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+2ACN+2H"	84.067652
"1593652"	429.100528	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+K+HCOOH"	84.968628
"1421500"	459.132038	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+H+CF3COOH"	115.000138
"1155068"	234.613051	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+3ACN+2H"	125.094202
"1708995"	476.158585	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+NH4+CF3COOH"	132.026685
"1635896"	481.11398	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+Na+CF3COOH"	136.98208
"1571669"	497.08792	"C05399"	"Melibiitol;6-O-alpha-D-Galactosyl-D-glucitol"	"C12H24O11"	"344.1319"	"M+K+CF3COOH"	152.95602
"808480"	342.1162	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M"	0
"984203"	323.09781	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"72444"	227.070190666667	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"509820"	341.108924	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"891268"	113.031457333333	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"5104"	341.108924	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"444662"	512.167024	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"818211"	170.050824	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"81364"	683.225124	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"525301"	1025.341324	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"906383"	341.108924	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"55290"	700.251671	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"498133"	1042.367871	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"877882"	358.135471	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"41649"	705.207066	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"484128"	1047.323266	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"860106"	363.090866	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1625269"	363.090866	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"105077"	359.097263	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"544643"	530.155363	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"938158"	188.039163	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"279264"	719.201802	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"671321"	1061.318002	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1284452"	377.085602	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"24094"	721.181006	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"464748"	1063.297206	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"843645"	379.064806	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1566040"	379.064806	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"950642"	387.114394	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"371042"	729.230601	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"357110"	743.246251	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1501569"	401.130051	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"970934"	409.096351	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"122393"	377.085602	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"560859"	548.143702	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1025648"	206.027502	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1248144"	421.035085	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1307675"	423.091072	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1321892"	445.073029	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"911853"	455.101786	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1291847"	491.078464	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1368307"	307.103524	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1386415"	325.1135	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"291208"	685.239676	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"677673"	1027.355876	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1355604"	343.123476	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"128492"	343.123476	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"569145"	514.181576	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1039404"	172.065376	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"209128"	229.084742666667	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"649781"	343.123476	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1172288"	115.046009333333	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"429005"	702.266223	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"791094"	1044.382423	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1689611"	360.150023	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"336798"	351.6367495	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"727031"	522.6948495	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1486321"	180.5786495	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"399533"	707.221618	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"757611"	1049.337818	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1608626"	365.105418	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"324130"	354.114447	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"715457"	525.172547	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1473654"	183.056347	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1064711"	122.373323333333	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1265297"	375.149686	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"387153"	723.195558	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"751065"	1065.311758	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1552026"	381.079358	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"307380"	362.101417	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"692383"	533.159517	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1448877"	191.043317	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"237480"	726.266226	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1213832"	384.150026	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1196261"	192.578651	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"191317"	729.20356	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"632337"	1071.31976	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1132927"	387.08736	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"175488"	365.105418	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"616510"	536.163518	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1121107"	194.047318	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1401353"	129.700637333333	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1436384"	389.128946	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"222068"	370.13844	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1510860"	403.18099	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"413827"	373.092388	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"776280"	544.150488	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1673706"	202.034288	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"253307"	748.248168	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1227110"	406.131968	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1717090"	406.155493	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1188283"	137.027951333333	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1657081"	411.110888	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"171114"	761.15144	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"611648"	1103.26764	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1097858"	419.03524	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"155405"	381.079358	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"595816"	552.137458	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1073281"	210.021258	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1107583"	421.049792	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1341780"	421.137407	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1015778"	425.176576	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1531716"	426.170208	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"995977"	213.091926	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1594855"	427.084828	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1421610"	457.116338	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1156271"	233.605201	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1709105"	474.142885	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1636006"	479.09828	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1572022"	495.07222	"C05400"	"Epimelibiose;6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"808590"	254.1002	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M"	0
"986865"	235.08181	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-H2O-H"	-19.01839
"76199"	168.392857333333	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M-3H"	-3.021828
"514304"	253.092924	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M-3H"	-3.021828
"893565"	83.6927906666667	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-3H"	-3.021828
"11774"	253.092924	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H"	-2.014552
"451334"	380.143024	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H"	-2.014552
"825857"	126.042824	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-2H"	-2.014552
"84755"	507.193124	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M-H"	-1.007276
"533837"	761.293324	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M-H"	-1.007276
"909773"	253.092924	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-H"	-1.007276
"55400"	524.219671	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H+NH4"	16.019271
"500430"	778.319871	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H+NH4"	16.019271
"876046"	270.119471	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-2H+NH4"	16.019271
"42852"	529.175066	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H+Na"	20.974666
"484849"	783.275266	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H+Na"	20.974666
"856936"	275.074866	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-2H+Na"	20.974666
"1628659"	275.074866	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Na-2H"	20.974666
"105187"	271.081263	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M-H+Cl"	33.962126
"546210"	398.131363	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M-H+Cl"	33.962126
"938268"	144.031163	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-H+Cl"	33.962126
"280104"	543.169802	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+Cl"	34.969402
"672159"	797.270002	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+Cl"	34.969402
"1282742"	289.069602	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl"	34.969402
"24205"	545.149006	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H+K"	36.948606
"467045"	799.249206	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H+K"	36.948606
"844848"	291.048806	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-2H+K"	36.948606
"1569066"	291.048806	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+K-2H"	36.948606
"954033"	299.098394	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-H+HCOOH"	44.998194
"373338"	553.198601	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+HCOOH-H"	44.998201
"358315"	567.214251	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+Hac-H"	59.013851
"1504959"	313.114051	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Hac-H"	59.013851
"967038"	321.080351	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-H+NaCOOH"	66.980151
"122504"	289.069602	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+2Cl"	69.938804
"560969"	416.119702	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+2Cl"	69.938804
"1029768"	162.019502	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2Cl"	69.938804
"1250441"	333.019085	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Br"	78.918885
"1312889"	335.075072	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl+HCOOH"	80.974872
"1322731"	357.057029	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl+NaCOOH"	102.956829
"913790"	367.085786	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M-H+CF3COOH"	112.985586
"1293780"	403.062464	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl+CF3COOH"	148.962264
"1369024"	219.087524	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H-2H2O"	-35.012676
"1389444"	237.0975	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H-H2O"	-17.0027
"289132"	509.207676	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+H"	1.007276
"676445"	763.307876	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+H"	1.007276
"1353162"	255.107476	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H"	1.007276
"126777"	255.107476	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+2H"	2.014552
"567066"	382.157576	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+2H"	2.014552
"1039146"	128.057376	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2H"	2.014552
"206686"	170.407409333333	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+3H"	3.021828
"648798"	255.107476	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+3H"	3.021828
"1173856"	85.7073426666667	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+3H"	3.021828
"434582"	526.234223	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+NH4"	18.033823
"799587"	780.334423	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+NH4"	18.033823
"1696283"	272.134023	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+NH4"	18.033823
"341281"	263.6207495	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+H+NH4"	19.041099
"730423"	390.6708495	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+H+NH4"	19.041099
"1486430"	136.5706495	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H+NH4"	19.041099
"401831"	531.189618	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+Na"	22.989218
"759545"	785.289818	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+Na"	22.989218
"1612018"	277.089418	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Na"	22.989218
"324241"	266.098447	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+H+Na"	23.996494
"720308"	393.148547	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+H+Na"	23.996494
"1476990"	139.048347	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H+Na"	23.996494
"1068152"	93.0346566666667	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2H+Na"	25.00377
"1270880"	287.133686	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+CH3OH+H"	33.033486
"392818"	547.163558	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+K"	38.963158
"753245"	801.263758	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+K"	38.963158
"1552501"	293.063358	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+K"	38.963158
"312957"	274.085417	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+H+K"	39.970434
"694806"	401.135517	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+H+K"	39.970434
"1453732"	147.035317	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H+K"	39.970434
"241237"	550.234226	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+ACN+H"	42.033826
"1213217"	296.134026	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+ACN+H"	42.033826
"1196738"	148.570651	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+ACN+2H"	43.041102
"191431"	553.17156	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+2Na-H"	44.97116
"635730"	807.27176	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+2Na-H"	44.97116
"1139237"	299.07136	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2Na-H"	44.97116
"176330"	277.089418	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+2Na"	45.978436
"618807"	404.139518	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+2Na"	45.978436
"1117938"	150.039318	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2Na"	45.978436
"1404744"	100.361970666667	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H+2Na"	46.985712
"1435766"	301.112946	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H+HCOOH"	47.012746
"221450"	282.12244	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+3H2O+2H"	56.04448
"1512794"	315.16499	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+IsoProp+H"	61.06479
"413209"	285.076388	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+Na+K"	61.952376
"776392"	412.126488	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+Na+K"	61.952376
"1671629"	158.026288	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Na+K"	61.952376
"256334"	572.216168	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+ACN+Na"	64.015768
"1228314"	318.115968	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+ACN+Na"	64.015768
"1716836"	318.139493	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+NH4+HCOOH"	64.039293
"1189486"	107.689284666667	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+3Na"	68.967654
"1658284"	323.094888	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Na+HCOOH"	68.994688
"172279"	585.11944	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+2K-H"	76.91904
"611879"	839.21964	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+2K-H"	76.91904
"1095780"	331.01924	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2K-H"	76.91904
"155272"	293.063358	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"2M+2K"	77.926316
"595196"	420.113458	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"3M+2K"	77.926316
"1073391"	166.013258	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2K"	77.926316
"1105506"	333.033792	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2K+H"	78.933592
"1340797"	333.121407	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+DMSO+H"	79.021207
"1015888"	337.160576	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2ACN+H"	83.060376
"1535107"	338.154208	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+IsoProp+Na+H"	84.054008
"996087"	169.083926	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+2ACN+2H"	84.067652
"1594965"	339.068828	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+K+HCOOH"	84.968628
"1421719"	369.100338	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+H+CF3COOH"	115.000138
"1156381"	189.597201	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+3ACN+2H"	125.094202
"1709213"	386.126885	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+NH4+CF3COOH"	132.026685
"1638303"	391.08228	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+Na+CF3COOH"	136.98208
"1572131"	407.05622	"C05401"	"3-beta-D-Galactosyl-sn-glycerol;Galactosylglycerol"	"C9H18O8"	"254.1002"	"M+K+CF3COOH"	152.95602
"808700"	342.1162	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M"	0
"987339"	323.09781	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"71571"	227.070190666667	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"513321"	341.108924	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"891852"	113.031457333333	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"4230"	341.108924	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443789"	512.167024	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"817622"	170.050824	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"88147"	683.225124	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"524426"	1025.341324	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"903323"	341.108924	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"55513"	700.251671	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"500542"	1042.367871	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"876156"	358.135471	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"43692"	705.207066	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"484713"	1047.323266	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"859236"	363.090866	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1628769"	363.090866	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"103112"	359.097263	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"548505"	530.155363	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"940927"	188.039163	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"279122"	719.201802	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"671177"	1061.318002	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1283943"	377.085602	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"24314"	721.181006	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"464967"	1063.297206	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"846051"	379.064806	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1567353"	379.064806	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"955234"	387.114394	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"370173"	729.230601	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"358430"	743.246251	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1503981"	401.130051	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"968244"	409.096351	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"120066"	377.085602	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"561083"	548.143702	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1033162"	206.027502	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1249457"	421.035085	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1314093"	423.091072	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1330498"	445.073029	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"920465"	455.101786	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1297174"	491.078464	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1372053"	307.103524	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1384816"	325.1135	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"288147"	685.239676	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"677287"	1027.355876	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1355094"	343.123476	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"128711"	343.123476	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"566932"	514.181576	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1038893"	172.065376	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"206430"	229.084742666667	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"648908"	343.123476	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1173600"	115.046009333333	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"438701"	702.266223	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"797874"	1044.382423	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1694205"	360.150023	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"337018"	351.6367495	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"729440"	522.6948495	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1483260"	180.5786495	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"401940"	707.221618	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"762935"	1049.337818	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1614315"	365.105418	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"325444"	354.114447	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"722243"	525.172547	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1476958"	183.056347	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1068097"	122.373323333333	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1272087"	375.149686	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"391755"	723.195558	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"753763"	1065.311758	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1551519"	381.079358	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"314003"	362.101417	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"696738"	533.159517	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1448372"	191.043317	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"237340"	726.266226	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1211023"	384.150026	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1196484"	192.578651	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"191541"	729.20356	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"631830"	1071.31976	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1132783"	387.08736	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"173399"	365.105418	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"614907"	536.163518	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1115858"	194.047318	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1405947"	129.700637333333	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1434782"	389.128946	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"222655"	370.13844	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1512176"	403.18099	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"410038"	373.092388	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"770304"	544.150488	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1666996"	202.034288	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"252434"	748.248168	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1227691"	406.131968	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1714754"	406.155493	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1184124"	137.027951333333	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1656207"	411.110888	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"168536"	761.15144	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"610284"	1103.26764	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1096983"	419.03524	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"156889"	381.079358	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"595548"	552.137458	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1075688"	210.021258	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1111084"	421.049792	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1342002"	421.137407	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1012719"	425.176576	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1534124"	426.170208	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"995104"	213.091926	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1598357"	427.084828	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1420737"	457.116338	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1156494"	233.605201	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1709325"	474.142885	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1640601"	479.09828	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1572972"	495.07222	"C05402"	"Melibiose;6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose;D-Gal-alpha1-6D-Glucose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"808810"	340.1006	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M"	0
"987450"	321.08221	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-H2O-H"	-19.01839
"71681"	225.726457333333	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M-3H"	-3.021828
"509058"	339.093324	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M-3H"	-3.021828
"890139"	112.359590666667	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-3H"	-3.021828
"4340"	339.093324	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M-2H"	-2.014552
"442806"	509.143624	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M-2H"	-2.014552
"817934"	169.043024	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-2H"	-2.014552
"81695"	679.193924	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M-H"	-1.007276
"523443"	1019.294524	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M-H"	-1.007276
"906714"	339.093324	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-H"	-1.007276
"56716"	696.220471	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M-2H+NH4"	16.019271
"499195"	1036.321071	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M-2H+NH4"	16.019271
"875538"	356.119871	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-2H+NH4"	16.019271
"43438"	701.175866	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M-2H+Na"	20.974666
"479355"	1041.276466	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M-2H+Na"	20.974666
"860439"	361.075266	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-2H+Na"	20.974666
"1623412"	361.075266	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Na-2H"	20.974666
"104315"	357.081663	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M-H+Cl"	33.962126
"542781"	527.131963	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M-H+Cl"	33.962126
"940309"	187.031363	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-H+Cl"	33.962126
"280326"	715.170602	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+Cl"	34.969402
"670558"	1055.271202	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+Cl"	34.969402
"1286241"	375.070002	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Cl"	34.969402
"23330"	717.149806	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M-2H+K"	36.948606
"466170"	1057.250406	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M-2H+K"	36.948606
"843974"	377.049206	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-2H+K"	36.948606
"1568555"	377.049206	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+K-2H"	36.948606
"955344"	385.098794	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-H+HCOOH"	44.998194
"376479"	725.199401	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+HCOOH-H"	44.998201
"358540"	739.215051	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+Hac-H"	59.013851
"1504091"	399.114451	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Hac-H"	59.013851
"971270"	407.080751	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-H+NaCOOH"	66.980151
"121633"	375.070002	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+2Cl"	69.938804
"560099"	545.120302	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+2Cl"	69.938804
"1032176"	205.019702	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2Cl"	69.938804
"1250660"	419.019485	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Br"	78.918885
"1313110"	421.075472	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Cl+HCOOH"	80.974872
"1329515"	443.057429	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Cl+NaCOOH"	102.956829
"920574"	453.086186	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M-H+CF3COOH"	112.985586
"1294004"	489.062864	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Cl+CF3COOH"	148.962264
"1373260"	305.087924	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H-2H2O"	-35.012676
"1388572"	323.0979	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H-H2O"	-17.0027
"286071"	681.208476	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+H"	1.007276
"678491"	1021.309076	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+H"	1.007276
"1354474"	341.107876	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H"	1.007276
"127000"	341.107876	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+2H"	2.014552
"566923"	511.158176	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+2H"	2.014552
"1037542"	171.057576	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2H"	2.014552
"206542"	227.741009333333	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+3H"	3.021828
"645738"	341.107876	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+3H"	3.021828
"1162930"	114.374142666667	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+3H"	3.021828
"436624"	698.235023	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+NH4"	18.033823
"799078"	1038.335623	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+NH4"	18.033823
"1692128"	358.134423	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+NH4"	18.033823
"337128"	349.6211495	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+H+NH4"	19.041099
"729550"	519.6714495	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+H+NH4"	19.041099
"1485557"	179.5708495	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H+NH4"	19.041099
"399864"	703.190418	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+Na"	22.989218
"760859"	1043.291018	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+Na"	22.989218
"1612238"	363.089818	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Na"	22.989218
"325554"	352.098847	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+H+Na"	23.996494
"720893"	522.149147	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+H+Na"	23.996494
"1476866"	182.048547	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H+Na"	23.996494
"1068083"	121.701456666667	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2H+Na"	25.00377
"1272560"	373.134086	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+CH3OH+H"	33.033486
"392469"	719.164358	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+K"	38.963158
"754188"	1059.264958	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+K"	38.963158
"1549443"	379.063758	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+K"	38.963158
"313907"	360.085817	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+H+K"	39.970434
"696849"	530.136117	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+H+K"	39.970434
"1448483"	190.035517	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H+K"	39.970434
"236358"	722.235026	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+ACN+H"	42.033826
"1213078"	382.134426	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+ACN+H"	42.033826
"1199146"	191.570851	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+ACN+2H"	43.041102
"194203"	725.17236	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+2Na-H"	44.97116
"633764"	1065.27296	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+2Na-H"	44.97116
"1135082"	385.07176	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2Na-H"	44.97116
"176186"	363.089818	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+2Na"	45.978436
"616840"	533.140118	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+2Na"	45.978436
"1116700"	193.039518	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2Na"	45.978436
"1406057"	129.028770666667	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H+2Na"	46.985712
"1432706"	387.113346	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H+HCOOH"	47.012746
"222765"	368.12284	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+3H2O+2H"	56.04448
"1511560"	401.16539	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+IsoProp+H"	61.06479
"412336"	371.076788	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+Na+K"	61.952376
"770494"	541.127088	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+Na+K"	61.952376
"1668203"	201.026488	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Na+K"	61.952376
"252299"	744.216968	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+ACN+Na"	64.015768
"1228534"	404.116368	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+ACN+Na"	64.015768
"1718880"	404.139893	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+NH4+HCOOH"	64.039293
"1186425"	136.356084666667	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+3Na"	68.967654
"1664702"	409.095288	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Na+HCOOH"	68.994688
"170834"	757.12024	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+2K-H"	76.91904
"612219"	1097.22084	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+2K-H"	76.91904
"1099280"	417.01964	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2K-H"	76.91904
"152818"	379.063758	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"2M+2K"	77.926316
"585819"	549.114058	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"3M+2K"	77.926316
"1074705"	209.013458	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2K"	77.926316
"1109008"	419.034192	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2K+H"	78.933592
"1338831"	419.121807	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+DMSO+H"	79.021207
"1011735"	423.160976	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2ACN+H"	83.060376
"1532045"	424.154608	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+IsoProp+Na+H"	84.054008
"995215"	212.084126	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+2ACN+2H"	84.067652
"1595187"	425.069228	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+K+HCOOH"	84.968628
"1423035"	455.100738	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+H+CF3COOH"	115.000138
"1153323"	232.597401	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+3ACN+2H"	125.094202
"1706156"	472.127285	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+NH4+CF3COOH"	132.026685
"1635244"	477.08268	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+Na+CF3COOH"	136.98208
"1571623"	493.05662	"C05403"	"3-Ketolactose"	"C12H20O11"	"340.1006"	"M+K+CF3COOH"	152.95602
"808920"	504.169	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M"	0
"982455"	485.15061	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"71790"	335.105390666667	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"509168"	503.161724	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"890249"	167.049057333333	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"4450"	503.161724	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"445103"	755.246224	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"819625"	251.077224	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"83991"	1007.330724	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"525739"	1511.499724	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"905367"	503.161724	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"56826"	1024.357271	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"496387"	1528.526271	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"873825"	520.188271	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"43549"	1029.312666	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"479465"	1533.481666	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"857268"	525.143666	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1619268"	525.143666	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"101145"	521.150063	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"539611"	773.234563	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"939690"	269.065563	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"278979"	1043.307402	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"669571"	1547.476402	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1284525"	539.138402	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"25629"	1045.286606	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"466282"	1549.455606	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"844085"	541.117606	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1567207"	541.117606	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"955090"	549.167194	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"372579"	1053.336201	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"358283"	1067.351851	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1503837"	563.182851	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"968829"	571.149151	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"120649"	539.138402	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"562394"	791.222902	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1032286"	287.053902	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1248583"	583.087885	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1313220"	585.143872	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1320508"	607.125829	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"914121"	617.154586	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1291923"	653.131264	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1371182"	469.156324	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1388682"	487.1663	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"287274"	1009.345276	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"678601"	1513.514276	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1353856"	505.176276	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"127594"	505.176276	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"568126"	757.260776	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1038750"	253.091776	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"205797"	337.119942666667	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"648034"	505.176276	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1164215"	169.063609333333	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"436005"	1026.371823	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"801220"	1530.540823	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1694793"	522.202823	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"342342"	513.6895495	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"735127"	765.7740495	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1485667"	261.6050495	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"401067"	1031.327218	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"767166"	1535.496218	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1614535"	527.158218	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"326394"	516.167247	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"721003"	768.251747	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1476897"	264.082747	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1067101"	176.390923333333	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1272062"	537.202486	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"391608"	1047.301158	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"752847"	1551.470158	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1548459"	543.132158	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"312925"	524.154217	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"695869"	776.238717	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1449685"	272.069717	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"235788"	1050.371826	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1215375"	546.202826	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1197069"	273.605051	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"191033"	1053.30916	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"630594"	1557.47816	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1136286"	549.14016	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"180670"	527.158218	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"618043"	779.242718	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1121550"	275.073718	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1407626"	183.718237333333	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1438283"	551.181746	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"220198"	532.19124	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1512761"	565.23379	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"411353"	535.145188	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"770402"	787.229688	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1667949"	283.060688	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"251803"	1072.353768	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1228644"	568.184768	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1720084"	568.208293	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1188722"	191.045551333333	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1665264"	573.163688	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"170943"	1085.25704	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"612087"	1589.42604	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1099030"	581.08804	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"151834"	543.132158	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"587023"	795.216658	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1077002"	291.047658	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1110211"	583.102592	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1340035"	583.190207	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1011844"	587.229376	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1529969"	588.223008	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"993139"	294.118326	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1593111"	589.137628	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1416585"	619.169138	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1150153"	314.631601	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1702986"	636.195685	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1634622"	641.15108	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1571732"	657.12502	"C05404"	"D-Gal alpha 1-6D-Gal alpha 1-6D-Glucose;D-Gal-alpha1-6D-Gal-alpha1-6D-Glucose;Manninotriose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"809030"	148.0372	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M"	0
"982565"	129.01881	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"71900"	97.6841906666667	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"509278"	147.029924	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"890359"	48.3384573333333	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"4560"	147.029924	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"447400"	221.048524	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"821922"	73.011324	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"86288"	295.067124	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"526942"	443.104324	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"905476"	147.029924	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"55843"	312.093671	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"493218"	460.130871	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"868832"	164.056471	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"43658"	317.049066	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"474107"	465.086266	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"851909"	169.011866	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1621444"	169.011866	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"94891"	165.018263	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"541907"	239.036863	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"938341"	90.999663	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"275076"	331.043802	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"666401"	479.081002	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1283176"	183.006602	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"25373"	333.023006	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"465663"	481.060206	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"845652"	184.985806	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1567317"	184.985806	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"955929"	193.035394	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"371593"	341.072601	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"359122"	355.088251	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1506498"	207.051051	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"971852"	215.017351	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"121852"	183.006602	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"559224"	257.025202	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1031302"	108.988002	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1248693"	226.956085	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1312236"	229.012072	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1322440"	250.994029	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"916416"	261.022786	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1292397"	296.999464	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1370561"	113.024524	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1388062"	131.0345	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"283976"	297.081676	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"680168"	445.118876	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1353963"	149.044476	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"126851"	149.044476	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"566167"	223.063076	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1040680"	75.025876	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"205300"	99.6987426666667	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"645950"	149.044476	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1166271"	50.3530093333333	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"430643"	314.108223	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"799295"	462.145423	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1694903"	166.071023	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"339534"	157.5577495	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"737059"	231.5763495	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1491247"	83.5391495	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"404457"	319.063618	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"768857"	467.100818	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1615739"	171.026418	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"327233"	160.035447	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"720019"	234.054047	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1475913"	86.016847	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1065267"	57.6803233333333	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1271809"	181.070686	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"388801"	335.037558	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"753079"	483.074758	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1548570"	187.000358	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"310116"	168.022417	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"700349"	242.041017	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1450887"	94.003817	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"239494"	338.108226	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1216577"	190.071026	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1199364"	95.539151	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"192236"	341.04556	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"632890"	489.08276	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1136396"	193.00836	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"182966"	171.026418	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"620340"	245.045018	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1123847"	97.007818	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1409924"	65.0076373333333	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1442404"	195.049946	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"222621"	176.05944	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1513964"	209.10199	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"411463"	179.013388	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"771362"	253.031988	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1669152"	104.994788	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"254222"	360.090168	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1228025"	212.052968	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1723473"	212.076493	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1188832"	72.3349513333333	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1664321"	217.031888	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"167772"	372.99344	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"611587"	521.03064	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1099500"	224.95624	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"155224"	187.000358	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"593693"	261.018958	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1083796"	112.981758	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1114331"	226.970792	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1337959"	227.058407	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1011955"	231.097576	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1532265"	232.091208	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"992155"	116.052426	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1593221"	233.005828	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1416695"	263.037338	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1151356"	136.565701	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1706376"	280.063885	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1635464"	285.01928	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1573301"	300.99322	"C05405"	"L-Arabinono-15-lactone"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"812418"	146.0215	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M"	0
"982672"	127.00311	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-H2O-H"	-19.01839
"73102"	96.3403906666667	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M-3H"	-3.021828
"513758"	145.014224	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M-3H"	-3.021828
"891561"	47.6665573333333	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-3H"	-3.021828
"11228"	145.014224	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M-2H"	-2.014552
"447509"	218.024974	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M-2H"	-2.014552
"823123"	72.003474	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-2H"	-2.014552
"85302"	291.035724	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M-H"	-1.007276
"524863"	437.057224	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M-H"	-1.007276
"898655"	145.014224	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-H"	-1.007276
"55947"	308.062271	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M-2H+NH4"	16.019271
"496601"	454.083771	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M-2H+NH4"	16.019271
"877326"	162.040771	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-2H+NH4"	16.019271
"43402"	313.017666	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M-2H+Na"	20.974666
"476402"	459.039166	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M-2H+Na"	20.974666
"849462"	166.996166	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-2H+Na"	20.974666
"1620089"	166.996166	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Na-2H"	20.974666
"96985"	163.002563	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M-H+Cl"	33.962126
"536545"	236.013313	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M-H+Cl"	33.962126
"932249"	89.991813	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-H+Cl"	33.962126
"268135"	327.012402	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+Cl"	34.969402
"662495"	473.033902	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+Cl"	34.969402
"1282192"	180.990902	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Cl"	34.969402
"19278"	328.991606	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M-2H+K"	36.948606
"462119"	475.013106	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M-2H+K"	36.948606
"834817"	182.970106	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-2H+K"	36.948606
"1559403"	182.970106	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+K-2H"	36.948606
"948013"	191.019694	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-H+HCOOH"	44.998194
"367325"	337.041201	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+HCOOH-H"	44.998201
"353395"	351.056851	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+Hac-H"	59.013851
"1503320"	205.035351	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Hac-H"	59.013851
"963574"	213.001651	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-H+NaCOOH"	66.980151
"118677"	180.990902	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+2Cl"	69.938804
"559333"	254.001652	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+2Cl"	69.938804
"1029226"	107.980152	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2Cl"	69.938804
"1247708"	224.940385	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Br"	78.918885
"1309062"	226.996372	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Cl+HCOOH"	80.974872
"1320362"	248.978329	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Cl+NaCOOH"	102.956829
"913240"	259.007086	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M-H+CF3COOH"	112.985586
"1289223"	294.983764	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Cl+CF3COOH"	148.962264
"1369208"	111.008824	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H-2H2O"	-35.012676
"1384524"	129.0188	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H-H2O"	-17.0027
"283196"	293.050276	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+H"	1.007276
"676505"	439.071776	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+H"	1.007276
"1351517"	147.028776	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H"	1.007276
"126343"	147.028776	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+2H"	2.014552
"566519"	220.039526	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+2H"	2.014552
"1038962"	74.018026	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2H"	2.014552
"206492"	98.3549426666667	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+3H"	3.021828
"647153"	147.028776	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+3H"	3.021828
"1164549"	49.6811093333333	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+3H"	3.021828
"426366"	310.076823	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+NH4"	18.033823
"792835"	456.098323	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+NH4"	18.033823
"1694643"	164.055323	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+NH4"	18.033823
"342922"	155.5420495	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+H+NH4"	19.041099
"736074"	228.5527995	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+H+NH4"	19.041099
"1492081"	82.5312995	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H+NH4"	19.041099
"408254"	315.032218	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+Na"	22.989218
"769575"	461.053718	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+Na"	22.989218
"1617668"	169.010718	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Na"	22.989218
"329047"	158.019747	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+H+Na"	23.996494
"722074"	231.030497	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+H+Na"	23.996494
"1474316"	85.008997	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H+Na"	23.996494
"1066467"	57.0084233333333	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2H+Na"	25.00377
"1271308"	179.054986	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+CH3OH+H"	33.033486
"387818"	331.006158	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+K"	38.963158
"749906"	477.027658	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+K"	38.963158
"1550863"	184.984658	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+K"	38.963158
"310223"	166.006717	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+H+K"	39.970434
"700458"	239.017467	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+H+K"	39.970434
"1456468"	92.995967	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H+K"	39.970434
"243974"	334.076826	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+ACN+H"	42.033826
"1216683"	188.055326	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+ACN+H"	42.033826
"1199473"	94.531301	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+ACN+2H"	43.041102
"191251"	337.01416	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+2Na-H"	44.97116
"629837"	483.03566	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+2Na-H"	44.97116
"1137598"	190.99266	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2Na-H"	44.97116
"176515"	169.010718	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+2Na"	45.978436
"619356"	242.021468	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+2Na"	45.978436
"1123957"	95.999968	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2Na"	45.978436
"1405291"	64.3357373333333	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H+2Na"	46.985712
"1436313"	193.034246	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H+HCOOH"	47.012746
"229289"	174.04374	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+3H2O+2H"	56.04448
"1511883"	207.08629	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+IsoProp+H"	61.06479
"415940"	176.997688	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+Na+K"	61.952376
"775842"	250.008438	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+Na+K"	61.952376
"1671082"	103.986938	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Na+K"	61.952376
"254333"	356.058768	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+ACN+Na"	64.015768
"1228135"	210.037268	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+ACN+Na"	64.015768
"1720303"	210.060793	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+NH4+HCOOH"	64.039293
"1188938"	71.6630513333333	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+3Na"	68.967654
"1659927"	215.016188	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Na+HCOOH"	68.994688
"166789"	368.96204	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+2K-H"	76.91904
"605254"	514.98354	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+2K-H"	76.91904
"1091954"	222.94054	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2K-H"	76.91904
"152053"	184.984658	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"2M+2K"	77.926316
"592707"	257.995408	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"3M+2K"	77.926316
"1075033"	111.973908	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2K"	77.926316
"1110430"	224.955092	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2K+H"	78.933592
"1346814"	225.042707	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+DMSO+H"	79.021207
"1020084"	229.081876	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2ACN+H"	83.060376
"1532375"	230.075508	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+IsoProp+Na+H"	84.054008
"1004778"	115.044576	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+2ACN+2H"	84.067652
"1601954"	230.990128	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+K+HCOOH"	84.968628
"1424455"	261.021638	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+H+CF3COOH"	115.000138
"1156934"	135.557851	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+3ACN+2H"	125.094202
"1703204"	278.048185	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+NH4+CF3COOH"	132.026685
"1634844"	283.00358	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+Na+CF3COOH"	136.98208
"1573410"	298.97752	"C05406"	"5-Hydroxy-24-dioxopentanoate"	"C5H6O5"	"146.0215"	"M+K+CF3COOH"	152.95602
"809250"	178.0477	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M"	0
"981691"	159.02931	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"68838"	117.691190666667	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"517150"	177.040424	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"891671"	58.3419573333333	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"3685"	177.040424	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"444702"	266.064274	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"824327"	88.016574	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"85414"	355.088124	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"527160"	533.135824	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"908246"	177.040424	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"59344"	372.114671	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"499996"	550.162371	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"877802"	194.066971	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"32819"	377.070066	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"474446"	555.117766	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"854313"	199.022366	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1621659"	199.022366	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"104750"	195.028763	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"545404"	284.052613	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"940378"	106.004913	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"276382"	391.064802	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"663699"	569.112502	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1281208"	213.017102	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"21577"	393.044006	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"458952"	571.091706	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"834931"	214.996306	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1555851"	214.996306	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"945568"	223.045894	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"366705"	401.093601	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"352413"	415.109251	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1498328"	237.061551	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"965505"	245.027851	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"118788"	213.017102	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"556888"	302.040952	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1028238"	123.993252	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1248181"	256.966585	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1306621"	259.022572	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1320225"	281.004529	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"915907"	291.033286	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1288841"	327.009964	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1367251"	143.035024	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1385000"	161.045	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"285781"	357.102676	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"677834"	535.150376	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1352602"	179.054976	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"126010"	179.054976	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"566505"	268.078826	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1038221"	90.031126	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"204901"	119.705742666667	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"645931"	179.054976	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1164663"	60.3565093333333	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"430858"	374.129223	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"796233"	552.176923	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1695123"	196.081523	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"345593"	187.5682495	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"736184"	276.5920995	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1491828"	98.5443995	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"407833"	379.084618	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"765668"	557.132318	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1615958"	201.036918	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"325996"	190.045947	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"719510"	279.069797	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1474427"	101.022097	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1065488"	67.6838233333333	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1262793"	211.081186	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"383554"	395.058558	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"747830"	573.106258	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1547692"	217.010858	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"308147"	198.032917	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"700569"	287.056767	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1451110"	109.009067	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"238616"	398.129226	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1210013"	220.081526	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1196304"	110.544401	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"191360"	401.06656	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"633108"	579.11426	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1133455"	223.01886	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"178810"	201.036918	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"619465"	290.060768	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1122971"	112.013068	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1406492"	75.0111373333333	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1437516"	225.060446	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"223930"	206.06994	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1511628"	239.11249	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"410585"	209.023888	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"773766"	298.047738	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1669004"	120.000038	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"254443"	420.111168	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1229338"	242.063468	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1716038"	242.086993	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1186861"	82.3384513333333	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1656754"	247.042388	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"167989"	433.01444	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"606457"	611.06214	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1097533"	254.96674	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"151069"	217.010858	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"592817"	306.034708	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1076237"	127.987008	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1112727"	256.981292	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1349111"	257.068907	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1019956"	261.108076	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1538322"	262.101708	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1004771"	131.057676	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1597812"	263.016328	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1419101"	293.047838	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1152669"	151.570951	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1705502"	310.074385	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1637872"	315.02978	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1571821"	331.00372	"C05410"	"Gulono-14-lactone;Gulonolactone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"801741"	166.0477	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M"	0
"978521"	147.02931	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-H2O-H"	-19.01839
"67125"	109.691190666667	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M-3H"	-3.021828
"517260"	165.040424	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M-3H"	-3.021828
"890689"	54.3419573333333	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-3H"	-3.021828
"4891"	165.040424	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M-2H"	-2.014552
"452105"	248.064274	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M-2H"	-2.014552
"829906"	82.016574	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-2H"	-2.014552
"89897"	331.088124	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M-H"	-1.007276
"531644"	497.135824	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M-H"	-1.007276
"909815"	165.040424	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-H"	-1.007276
"60670"	348.114671	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M-2H+NH4"	16.019271
"500834"	514.162371	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M-2H+NH4"	16.019271
"878156"	182.066971	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-2H+NH4"	16.019271
"39249"	353.070066	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M-2H+Na"	20.974666
"483181"	519.117766	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M-2H+Na"	20.974666
"857704"	187.022366	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-2H+Na"	20.974666
"1625049"	187.022366	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Na-2H"	20.974666
"101579"	183.028763	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M-H+Cl"	33.962126
"542234"	266.052613	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M-H+Cl"	33.962126
"931373"	100.004913	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-H+Cl"	33.962126
"268592"	367.064802	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+Cl"	34.969402
"662715"	533.112502	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+Cl"	34.969402
"1276213"	201.017102	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Cl"	34.969402
"21688"	369.044006	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M-2H+K"	36.948606
"457360"	535.091706	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M-2H+K"	36.948606
"837231"	202.996306	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-2H+K"	36.948606
"1559623"	202.996306	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+K-2H"	36.948606
"945683"	211.045894	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-H+HCOOH"	44.998194
"366817"	377.093601	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+HCOOH-H"	44.998201
"352523"	391.109251	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+Hac-H"	59.013851
"1500262"	225.061551	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Hac-H"	59.013851
"964521"	233.027851	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-H+NaCOOH"	66.980151
"118898"	201.017102	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+2Cl"	69.938804
"557728"	284.040952	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+2Cl"	69.938804
"1028348"	117.993252	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2Cl"	69.938804
"1247198"	244.966585	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Br"	78.918885
"1309282"	247.022572	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Cl+HCOOH"	80.974872
"1322405"	269.004529	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Cl+NaCOOH"	102.956829
"913465"	279.033286	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M-H+CF3COOH"	112.985586
"1288509"	315.009964	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Cl+CF3COOH"	148.962264
"1367441"	131.035024	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H-2H2O"	-35.012676
"1392401"	149.045	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H-H2O"	-17.0027
"288079"	333.102676	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+H"	1.007276
"677944"	499.150376	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+H"	1.007276
"1352836"	167.054976	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H"	1.007276
"126084"	167.054976	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+2H"	2.014552
"566615"	250.078826	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+2H"	2.014552
"1037844"	84.031126	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2H"	2.014552
"204526"	111.705742666667	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+3H"	3.021828
"646287"	167.054976	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+3H"	3.021828
"1162991"	56.3565093333333	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+3H"	3.021828
"432063"	350.129223	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+NH4"	18.033823
"796343"	516.176923	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+NH4"	18.033823
"1695597"	184.081523	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+NH4"	18.033823
"343875"	175.5682495	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+H+NH4"	19.041099
"737386"	258.5920995	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+H+NH4"	19.041099
"1492545"	92.5443995	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H+NH4"	19.041099
"408064"	355.084618	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+Na"	22.989218
"768938"	521.132318	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+Na"	22.989218
"1613879"	189.036918	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Na"	22.989218
"329022"	178.045947	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+H+Na"	23.996494
"718527"	261.069797	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+H+Na"	23.996494
"1474535"	95.022097	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H+Na"	23.996494
"1064503"	63.6838233333333	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2H+Na"	25.00377
"1269464"	199.081186	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+CH3OH+H"	33.033486
"389132"	371.058558	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+K"	38.963158
"749033"	537.106258	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+K"	38.963158
"1548900"	205.010858	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+K"	38.963158
"312632"	186.032917	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+H+K"	39.970434
"701770"	269.056767	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+H+K"	39.970434
"1456687"	103.009067	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H+K"	39.970434
"242010"	374.129226	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+H"	42.033826
"1213624"	208.081526	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+ACN+H"	42.033826
"1199694"	104.544401	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+ACN+2H"	43.041102
"193657"	377.06656	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+2Na-H"	44.97116
"633218"	543.11426	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+2Na-H"	44.97116
"1135631"	211.01886	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2Na-H"	44.97116
"174668"	189.036918	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+2Na"	45.978436
"616295"	272.060768	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+2Na"	45.978436
"1119801"	106.013068	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2Na"	45.978436
"1406238"	71.0111373333333	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H+2Na"	46.985712
"1437626"	213.060446	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H+HCOOH"	47.012746
"226227"	194.06994	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+3H2O+2H"	56.04448
"1515384"	227.11249	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+H"	61.06479
"409603"	197.023888	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+Na+K"	61.952376
"772782"	280.047738	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+Na+K"	61.952376
"1669114"	114.000038	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Na+K"	61.952376
"255645"	396.111168	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+Na"	64.015768
"1230541"	230.063468	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+ACN+Na"	64.015768
"1718334"	230.086993	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+NH4+HCOOH"	64.039293
"1186970"	78.3384513333333	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+3Na"	68.967654
"1657957"	235.042388	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Na+HCOOH"	68.994688
"169192"	409.01444	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+2K-H"	76.91904
"607660"	575.06214	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+2K-H"	76.91904
"1096550"	242.96674	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2K-H"	76.91904
"150085"	205.010858	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"2M+2K"	77.926316
"595114"	288.034708	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"3M+2K"	77.926316
"1075254"	121.987008	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2K"	77.926316
"1114418"	244.981292	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2K+H"	78.933592
"1349221"	245.068907	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+DMSO+H"	79.021207
"1019818"	249.108076	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+H"	83.060376
"1537943"	250.101708	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+Na+H"	84.054008
"1002325"	125.057676	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+2H"	84.067652
"1594641"	251.016328	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+K+HCOOH"	84.968628
"1419211"	281.047838	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+H+CF3COOH"	115.000138
"1152779"	145.570951	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+3ACN+2H"	125.094202
"1705612"	298.074385	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+NH4+CF3COOH"	132.026685
"1637982"	303.02978	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+Na+CF3COOH"	136.98208
"1571361"	319.00372	"C05411"	"L-Xylonate;L-Xylonic acid"	"C5H10O6"	"166.0477"	"M+K+CF3COOH"	152.95602
"801469"	166.0477	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M"	0
"976444"	147.02931	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-H2O-H"	-19.01839
"64684"	109.691190666667	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M-3H"	-3.021828
"507525"	165.040424	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M-3H"	-3.021828
"890797"	54.3419573333333	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-3H"	-3.021828
"5001"	165.040424	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M-2H"	-2.014552
"451121"	248.064274	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M-2H"	-2.014552
"825642"	82.016574	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-2H"	-2.014552
"85634"	331.088124	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M-H"	-1.007276
"524100"	497.135824	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M-H"	-1.007276
"909559"	165.040424	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-H"	-1.007276
"58471"	348.114671	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M-2H+NH4"	16.019271
"501552"	514.162371	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M-2H+NH4"	16.019271
"875470"	182.066971	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-2H+NH4"	16.019271
"32310"	353.070066	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M-2H+Na"	20.974666
"471911"	519.117766	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M-2H+Na"	20.974666
"851252"	187.022366	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-2H+Na"	20.974666
"1619001"	187.022366	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Na-2H"	20.974666
"95490"	183.028763	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M-H+Cl"	33.962126
"540156"	266.052613	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M-H+Cl"	33.962126
"929296"	100.004913	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-H+Cl"	33.962126
"267969"	367.064802	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+Cl"	34.969402
"661732"	533.112502	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+Cl"	34.969402
"1275959"	201.017102	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Cl"	34.969402
"19611"	369.044006	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M-2H+K"	36.948606
"456498"	535.091706	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M-2H+K"	36.948606
"836611"	202.996306	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-2H+K"	36.948606
"1559004"	202.996306	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+K-2H"	36.948606
"945429"	211.045894	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-H+HCOOH"	44.998194
"364009"	377.093601	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+HCOOH-H"	44.998201
"352633"	391.109251	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+Hac-H"	59.013851
"1499277"	225.061551	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Hac-H"	59.013851
"963902"	233.027851	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-H+NaCOOH"	66.980151
"116091"	201.017102	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+2Cl"	69.938804
"556015"	284.040952	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+2Cl"	69.938804
"1023718"	117.993252	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2Cl"	69.938804
"1242933"	244.966585	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Br"	78.918885
"1304771"	247.022572	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Cl+HCOOH"	80.974872
"1320566"	269.004529	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Cl+NaCOOH"	102.956829
"911867"	279.033286	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M-H+CF3COOH"	112.985586
"1288608"	315.009964	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Cl+CF3COOH"	148.962264
"1367344"	131.035024	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H-2H2O"	-35.012676
"1389231"	149.045	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H-H2O"	-17.0027
"285637"	333.102676	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+H"	1.007276
"676232"	499.150376	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+H"	1.007276
"1351488"	167.054976	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H"	1.007276
"126310"	167.054976	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+2H"	2.014552
"566847"	250.078826	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+2H"	2.014552
"1038927"	84.031126	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2H"	2.014552
"204470"	111.705742666667	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+3H"	3.021828
"644285"	167.054976	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+3H"	3.021828
"1162828"	56.3565093333333	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+3H"	3.021828
"429983"	350.129223	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+NH4"	18.033823
"797546"	516.176923	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+NH4"	18.033823
"1695828"	184.081523	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+NH4"	18.033823
"344349"	175.5682495	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+H+NH4"	19.041099
"735675"	258.5920995	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+H+NH4"	19.041099
"1492416"	92.5443995	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H+NH4"	19.041099
"408522"	355.084618	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+Na"	22.989218
"769769"	521.132318	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+Na"	22.989218
"1610709"	189.036918	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Na"	22.989218
"325118"	178.045947	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+H+Na"	23.996494
"719730"	261.069797	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+H+Na"	23.996494
"1474645"	95.022097	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H+Na"	23.996494
"1065706"	63.6838233333333	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2H+Na"	25.00377
"1269939"	199.081186	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+CH3OH+H"	33.033486
"389241"	371.058558	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+K"	38.963158
"749139"	537.106258	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+K"	38.963158
"1551194"	205.010858	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+K"	38.963158
"308367"	186.032917	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+H+K"	39.970434
"700787"	269.056767	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+H+K"	39.970434
"1455703"	103.009067	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H+K"	39.970434
"244305"	374.129226	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+H"	42.033826
"1213734"	208.081526	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+ACN+H"	42.033826
"1200897"	104.544401	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+ACN+2H"	43.041102
"191581"	377.06656	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+2Na-H"	44.97116
"633328"	543.11426	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+2Na-H"	44.97116
"1134647"	211.01886	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2Na-H"	44.97116
"174657"	189.036918	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+2Na"	45.978436
"613125"	272.060768	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+2Na"	45.978436
"1119911"	106.013068	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2Na"	45.978436
"1406348"	71.0111373333333	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H+2Na"	46.985712
"1437736"	213.060446	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H+HCOOH"	47.012746
"228524"	194.06994	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+3H2O+2H"	56.04448
"1514401"	227.11249	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+H"	61.06479
"411897"	197.023888	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+Na+K"	61.952376
"771186"	280.047738	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+Na+K"	61.952376
"1667036"	114.000038	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Na+K"	61.952376
"253569"	396.111168	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+ACN+Na"	64.015768
"1228463"	230.063468	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+ACN+Na"	64.015768
"1717351"	230.086993	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+NH4+HCOOH"	64.039293
"1187080"	78.3384513333333	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+3Na"	68.967654
"1659160"	235.042388	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Na+HCOOH"	68.994688
"166022"	409.01444	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+2K-H"	76.91904
"607770"	575.06214	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+2K-H"	76.91904
"1095567"	242.96674	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2K-H"	76.91904
"149101"	205.010858	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"2M+2K"	77.926316
"594131"	288.034708	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"3M+2K"	77.926316
"1075364"	121.987008	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2K"	77.926316
"1112947"	244.981292	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2K+H"	78.933592
"1350303"	245.068907	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+DMSO+H"	79.021207
"1021021"	249.108076	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+H"	83.060376
"1537081"	250.101708	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+IsoProp+Na+H"	84.054008
"1002435"	125.057676	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+2ACN+2H"	84.067652
"1594751"	251.016328	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+K+HCOOH"	84.968628
"1420414"	281.047838	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+H+CF3COOH"	115.000138
"1152889"	145.570951	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+3ACN+2H"	125.094202
"1705722"	298.074385	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+NH4+CF3COOH"	132.026685
"1638092"	303.02978	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+Na+CF3COOH"	136.98208
"1571433"	319.00372	"C05412"	"L-Lyxonate;L-Lyxonic acid"	"C5H10O6"	"166.0477"	"M+K+CF3COOH"	152.95602
"803018"	544.5008	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M"	0
"976554"	525.48241	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-H2O-H"	-19.01839
"65158"	361.993257333333	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M-3H"	-3.021828
"507635"	543.493524	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M-3H"	-3.021828
"884346"	180.492990666667	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-3H"	-3.021828
"5111"	543.493524	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M-2H"	-2.014552
"450138"	815.743924	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M-2H"	-2.014552
"825752"	271.243124	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-2H"	-2.014552
"85744"	1087.994324	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M-H"	-1.007276
"520565"	1632.495124	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M-H"	-1.007276
"906389"	543.493524	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-H"	-1.007276
"58216"	1105.020871	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M-2H+NH4"	16.019271
"498504"	1649.521671	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M-2H+NH4"	16.019271
"873758"	560.520071	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-2H+NH4"	16.019271
"31470"	1109.976266	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M-2H+Na"	20.974666
"471778"	1654.477066	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M-2H+Na"	20.974666
"848728"	565.475466	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-2H+Na"	20.974666
"1620894"	565.475466	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Na-2H"	20.974666
"94667"	561.481863	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M-H+Cl"	33.962126
"534793"	833.732263	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M-H+Cl"	33.962126
"927582"	289.231463	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-H+Cl"	33.962126
"267504"	1123.971002	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+Cl"	34.969402
"660870"	1668.471802	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+Cl"	34.969402
"1274976"	579.470202	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Cl"	34.969402
"17775"	1125.950206	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M-2H+K"	36.948606
"456729"	1670.451006	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M-2H+K"	36.948606
"837814"	581.449406	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-2H+K"	36.948606
"1559114"	581.449406	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+K-2H"	36.948606
"945903"	589.498994	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-H+HCOOH"	44.998194
"362662"	1133.999801	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+HCOOH-H"	44.998201
"352014"	1148.015451	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+Hac-H"	59.013851
"1497563"	603.514651	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Hac-H"	59.013851
"962553"	611.480951	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-H+NaCOOH"	66.980151
"116201"	579.470202	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+2Cl"	69.938804
"555032"	851.720602	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+2Cl"	69.938804
"1025652"	307.219802	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2Cl"	69.938804
"1245595"	623.419685	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Br"	78.918885
"1304763"	625.475672	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Cl+HCOOH"	80.974872
"1320555"	647.457629	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Cl+NaCOOH"	102.956829
"911460"	657.486386	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M-H+CF3COOH"	112.985586
"1288802"	693.463064	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Cl+CF3COOH"	148.962264
"1367577"	509.488124	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H-2H2O"	-35.012676
"1389341"	527.4981	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H-H2O"	-17.0027
"285747"	1090.008876	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+H"	1.007276
"677191"	1634.509676	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+H"	1.007276
"1352446"	545.508076	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H"	1.007276
"126011"	545.508076	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+2H"	2.014552
"566588"	817.758476	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+2H"	2.014552
"1038063"	273.257676	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2H"	2.014552
"205839"	364.007809333333	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+3H"	3.021828
"649787"	545.508076	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+3H"	3.021828
"1165726"	182.507542666667	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+3H"	3.021828
"429000"	1107.035423	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+NH4"	18.033823
"792190"	1651.536223	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+NH4"	18.033823
"1695449"	562.534623	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+NH4"	18.033823
"343363"	554.0213495	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+H+NH4"	19.041099
"736879"	826.2717495	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+H+NH4"	19.041099
"1492515"	281.7709495	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H+NH4"	19.041099
"408045"	1111.990818	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+Na"	22.989218
"769775"	1656.491618	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+Na"	22.989218
"1609725"	567.490018	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Na"	22.989218
"328266"	556.499047	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+H+Na"	23.996494
"713278"	828.749447	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+H+Na"	23.996494
"1473662"	284.248647	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H+Na"	23.996494
"1063626"	189.834856666667	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2H+Na"	25.00377
"1268226"	577.534286	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+CH3OH+H"	33.033486
"386071"	1127.964758	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+K"	38.963158
"751439"	1672.465558	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+K"	38.963158
"1551301"	583.463958	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+K"	38.963158
"306291"	564.486017	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+H+K"	39.970434
"697618"	836.736417	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+H+K"	39.970434
"1454720"	292.235617	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H+K"	39.970434
"241137"	1131.035426	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+ACN+H"	42.033826
"1212752"	586.534626	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+ACN+H"	42.033826
"1198821"	293.770951	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+ACN+2H"	43.041102
"189867"	1133.97276	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+2Na-H"	44.97116
"632345"	1678.47356	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+2Na-H"	44.97116
"1133664"	589.47196	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2Na-H"	44.97116
"174767"	567.490018	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+2Na"	45.978436
"616515"	839.740418	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+2Na"	45.978436
"1120021"	295.239618	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2Na"	45.978436
"1406823"	197.162170666667	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H+2Na"	46.985712
"1440033"	591.513546	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H+HCOOH"	47.012746
"227541"	572.52304	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+3H2O+2H"	56.04448
"1510865"	605.56559	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+IsoProp+H"	61.06479
"410183"	575.476988	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+Na+K"	61.952376
"770569"	847.727388	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+Na+K"	61.952376
"1668968"	303.226588	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Na+K"	61.952376
"253679"	1153.017368	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+ACN+Na"	64.015768
"1227480"	608.516568	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+ACN+Na"	64.015768
"1715275"	608.540093	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+NH4+HCOOH"	64.039293
"1183911"	204.489484666667	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+3Na"	68.967654
"1658177"	613.495488	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Na+HCOOH"	68.994688
"166132"	1165.92064	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+2K-H"	76.91904
"606787"	1710.42144	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+2K-H"	76.91904
"1095677"	621.41984	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2K-H"	76.91904
"151398"	583.463958	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"2M+2K"	77.926316
"595213"	855.714358	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"3M+2K"	77.926316
"1079847"	311.213558	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2K"	77.926316
"1114029"	623.434392	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2K+H"	78.933592
"1350413"	623.522007	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+DMSO+H"	79.021207
"1020405"	627.561176	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2ACN+H"	83.060376
"1538653"	628.554808	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+IsoProp+Na+H"	84.054008
"1001452"	314.284226	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+2ACN+2H"	84.067652
"1594861"	629.469428	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+K+HCOOH"	84.968628
"1417244"	659.500938	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+H+CF3COOH"	115.000138
"1152999"	334.797501	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+3ACN+2H"	125.094202
"1705832"	676.527485	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+NH4+CF3COOH"	132.026685
"1638202"	681.48288	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+Na+CF3COOH"	136.98208
"1571338"	697.45682	"C05413"	"all-trans-Phytoene"	"C40H64"	"544.5008"	"M+K+CF3COOH"	152.95602
"803491"	542.4852	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M"	0
"976664"	523.46681	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-H2O-H"	-19.01839
"65997"	360.649524	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M-3H"	-3.021828
"508838"	541.477924	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M-3H"	-3.021828
"886642"	179.821124	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-3H"	-3.021828
"6314"	541.477924	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M-2H"	-2.014552
"446967"	812.720524	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M-2H"	-2.014552
"825862"	270.235324	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-2H"	-2.014552
"85854"	1083.963124	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M-H"	-1.007276
"520311"	1626.448324	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M-H"	-1.007276
"905406"	541.477924	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-H"	-1.007276
"59419"	1100.989671	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M-2H+NH4"	16.019271
"498978"	1643.474871	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M-2H+NH4"	16.019271
"873868"	558.504471	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-2H+NH4"	16.019271
"33260"	1105.945066	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M-2H+Na"	20.974666
"472009"	1648.430266	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M-2H+Na"	20.974666
"849527"	563.459866	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-2H+Na"	20.974666
"1621004"	563.459866	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Na-2H"	20.974666
"97531"	559.466263	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M-H+Cl"	33.962126
"537091"	830.708863	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M-H+Cl"	33.962126
"928543"	288.223663	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-H+Cl"	33.962126
"267821"	1119.939802	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+Cl"	34.969402
"661952"	1662.425002	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+Cl"	34.969402
"1277272"	577.454602	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Cl"	34.969402
"19829"	1121.919006	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M-2H+K"	36.948606
"458663"	1664.404206	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M-2H+K"	36.948606
"839017"	579.433806	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-2H+K"	36.948606
"1559224"	579.433806	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+K-2H"	36.948606
"947106"	587.483394	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-H+HCOOH"	44.998194
"364594"	1129.968601	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+HCOOH-H"	44.998201
"352487"	1143.984251	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+Hac-H"	59.013851
"1494026"	601.499051	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Hac-H"	59.013851
"960596"	609.465351	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-H+NaCOOH"	66.980151
"112299"	577.454602	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+2Cl"	69.938804
"556234"	848.697202	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+2Cl"	69.938804
"1025032"	306.212002	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2Cl"	69.938804
"1244246"	621.404085	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Br"	78.918885
"1304505"	623.460072	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Cl+HCOOH"	80.974872
"1322730"	645.442029	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Cl+NaCOOH"	102.956829
"911367"	655.470786	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M-H+CF3COOH"	112.985586
"1288525"	691.447464	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Cl+CF3COOH"	148.962264
"1367325"	507.472524	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H-2H2O"	-35.012676
"1391638"	525.4825	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H-H2O"	-17.0027
"284762"	1085.977676	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+H"	1.007276
"676328"	1628.462876	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+H"	1.007276
"1352436"	543.492476	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H"	1.007276
"125709"	543.492476	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+2H"	2.014552
"566206"	814.735076	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+2H"	2.014552
"1037071"	272.249876	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2H"	2.014552
"204364"	362.664076	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+3H"	3.021828
"649897"	543.492476	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+3H"	3.021828
"1165836"	181.835676	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+3H"	3.021828
"426923"	1103.004223	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+NH4"	18.033823
"797765"	1645.489423	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+NH4"	18.033823
"1696781"	560.519023	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+NH4"	18.033823
"345263"	552.0057495	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+H+NH4"	19.041099
"738443"	823.2483495	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+H+NH4"	19.041099
"1492025"	280.7631495	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H+NH4"	19.041099
"408366"	1107.959618	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+Na"	22.989218
"769722"	1650.444818	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+Na"	22.989218
"1615301"	565.474418	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Na"	22.989218
"329106"	554.483447	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+H+Na"	23.996494
"717761"	825.726047	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+H+Na"	23.996494
"1474860"	283.240847	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H+Na"	23.996494
"1062641"	189.16299	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2H+Na"	25.00377
"1268701"	575.518686	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+CH3OH+H"	33.033486
"389825"	1123.933558	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+K"	38.963158
"749364"	1666.418758	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+K"	38.963158
"1553598"	581.448358	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+K"	38.963158
"312961"	562.470417	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+H+K"	39.970434
"701008"	833.713017	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+H+K"	39.970434
"1455924"	291.227817	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H+K"	39.970434
"243433"	1127.004226	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+ACN+H"	42.033826
"1216143"	584.519026	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+ACN+H"	42.033826
"1203305"	292.763151	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+ACN+2H"	43.041102
"192895"	1129.94156	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+2Na-H"	44.97116
"639015"	1672.42676	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+2Na-H"	44.97116
"1137054"	587.45636	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2Na-H"	44.97116
"178157"	565.474418	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+2Na"	45.978436
"622093"	836.717018	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+2Na"	45.978436
"1123412"	294.231818	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2Na"	45.978436
"1408755"	196.490304	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H+2Na"	46.985712
"1439050"	589.497946	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H+HCOOH"	47.012746
"227651"	570.50744	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+3H2O+2H"	56.04448
"1510246"	603.54999	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+IsoProp+H"	61.06479
"410295"	573.461388	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+Na+K"	61.952376
"771288"	844.703988	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+Na+K"	61.952376
"1667256"	302.218788	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Na+K"	61.952376
"253789"	1148.986168	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+ACN+Na"	64.015768
"1227592"	606.500968	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+ACN+Na"	64.015768
"1715385"	606.524493	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+NH4+HCOOH"	64.039293
"1184021"	203.817618	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+3Na"	68.967654
"1657194"	611.479888	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Na+HCOOH"	68.994688
"167336"	1161.88944	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+2K-H"	76.91904
"609083"	1704.37464	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+2K-H"	76.91904
"1096878"	619.40424	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2K-H"	76.91904
"155518"	581.448358	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"2M+2K"	77.926316
"595569"	852.690958	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"3M+2K"	77.926316
"1081050"	310.205758	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2K"	77.926316
"1114504"	621.418792	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2K+H"	78.933592
"1349192"	621.506407	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+DMSO+H"	79.021207
"1020271"	625.545576	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2ACN+H"	83.060376
"1537669"	626.539208	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+IsoProp+Na+H"	84.054008
"1003749"	313.276426	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+2ACN+2H"	84.067652
"1599345"	627.453828	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+K+HCOOH"	84.968628
"1414679"	657.485338	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+H+CF3COOH"	115.000138
"1149829"	333.789701	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+3ACN+2H"	125.094202
"1707035"	674.511885	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+NH4+CF3COOH"	132.026685
"1638312"	679.46728	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+Na+CF3COOH"	136.98208
"1571529"	695.44122	"C05414"	"all-trans-Phytofluene"	"C40H62"	"542.4852"	"M+K+CF3COOH"	152.95602
"802386"	370.36	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M"	0
"982240"	351.34161	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-H2O-H"	-19.01839
"66107"	245.899390666667	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M-3H"	-3.021828
"510041"	369.352724	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M-3H"	-3.021828
"888938"	122.446057333333	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-3H"	-3.021828
"8610"	369.352724	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M-2H"	-2.014552
"448170"	554.532724	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M-2H"	-2.014552
"825972"	184.172724	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-2H"	-2.014552
"85964"	739.712724	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M-H"	-1.007276
"520421"	1110.072724	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M-H"	-1.007276
"909160"	369.352724	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-H"	-1.007276
"59892"	756.739271	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M-2H+NH4"	16.019271
"500546"	1127.099271	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M-2H+NH4"	16.019271
"876889"	386.379271	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-2H+NH4"	16.019271
"34221"	761.694666	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M-2H+Na"	20.974666
"471712"	1132.054666	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M-2H+Na"	20.974666
"849265"	391.334666	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-2H+Na"	20.974666
"1620263"	391.334666	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Na-2H"	20.974666
"94642"	387.341063	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M-H+Cl"	33.962126
"536106"	572.521063	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M-H+Cl"	33.962126
"929625"	202.161063	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-H+Cl"	33.962126
"267810"	775.689402	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+Cl"	34.969402
"661089"	1146.049402	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+Cl"	34.969402
"1276289"	405.329402	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Cl"	34.969402
"19939"	777.668606	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M-2H+K"	36.948606
"459502"	1148.028606	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M-2H+K"	36.948606
"839856"	407.308606	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-2H+K"	36.948606
"1560791"	407.308606	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+K-2H"	36.948606
"945758"	415.358194	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-H+HCOOH"	44.998194
"365433"	785.718201	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+HCOOH-H"	44.998201
"348587"	799.733851	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+Hac-H"	59.013851
"1495231"	429.373851	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Hac-H"	59.013851
"960584"	437.340151	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-H+NaCOOH"	66.980151
"111315"	405.329402	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+2Cl"	69.938804
"550874"	590.509402	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+2Cl"	69.938804
"1024412"	220.149402	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2Cl"	69.938804
"1242897"	449.278885	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Br"	78.918885
"1304494"	451.334872	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Cl+HCOOH"	80.974872
"1321382"	473.316829	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Cl+NaCOOH"	102.956829
"911668"	483.345586	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M-H+CF3COOH"	112.985586
"1288781"	519.322264	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Cl+CF3COOH"	148.962264
"1367678"	335.347324	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H-2H2O"	-35.012676
"1389561"	353.3573	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H-H2O"	-17.0027
"283779"	741.727276	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+H"	1.007276
"675748"	1112.087276	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+H"	1.007276
"1352424"	371.367276	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H"	1.007276
"125795"	371.367276	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+2H"	2.014552
"565866"	556.547276	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+2H"	2.014552
"1037112"	186.187276	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2H"	2.014552
"204395"	247.913942666667	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+3H"	3.021828
"645146"	371.367276	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+3H"	3.021828
"1162766"	124.460609333333	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+3H"	3.021828
"427033"	758.753823	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+NH4"	18.033823
"795688"	1129.113823	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+NH4"	18.033823
"1696729"	388.393823	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+NH4"	18.033823
"345578"	379.8805495	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+H+NH4"	19.041099
"738327"	565.0605495	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+H+NH4"	19.041099
"1492712"	194.7005495	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H+NH4"	19.041099
"408397"	763.709218	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+Na"	22.989218
"769511"	1134.069218	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+Na"	22.989218
"1614317"	393.349218	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Na"	22.989218
"326541"	382.358247	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+H+Na"	23.996494
"716776"	567.538247	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+H+Na"	23.996494
"1476063"	197.178247	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H+Na"	23.996494
"1064935"	131.787923333333	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2H+Na"	25.00377
"1271721"	403.393486	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+CH3OH+H"	33.033486
"390661"	779.683158	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+K"	38.963158
"749474"	1150.043158	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+K"	38.963158
"1551521"	409.323158	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+K"	38.963158
"310884"	390.345217	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+H+K"	39.970434
"695651"	575.525217	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+H+K"	39.970434
"1454940"	205.165217	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H+K"	39.970434
"245729"	782.753826	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+ACN+H"	42.033826
"1217345"	412.393826	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+ACN+H"	42.033826
"1204508"	206.700551	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+ACN+2H"	43.041102
"193004"	785.69116	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+2Na-H"	44.97116
"639125"	1156.05116	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+2Na-H"	44.97116
"1140444"	415.33116	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2Na-H"	44.97116
"178267"	393.349218	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+2Na"	45.978436
"618195"	578.529218	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+2Na"	45.978436
"1122429"	208.169218	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2Na"	45.978436
"1411053"	139.115237333333	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H+2Na"	46.985712
"1432965"	417.372746	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H+HCOOH"	47.012746
"231771"	398.38224	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+3H2O+2H"	56.04448
"1509139"	431.42479	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+IsoProp+H"	61.06479
"408947"	401.336188	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+Na+K"	61.952376
"770791"	586.516188	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+Na+K"	61.952376
"1667123"	216.156188	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Na+K"	61.952376
"256085"	804.735768	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+ACN+Na"	64.015768
"1229888"	434.375768	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+ACN+Na"	64.015768
"1717681"	434.399293	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+NH4+HCOOH"	64.039293
"1187410"	146.442551333333	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+3Na"	68.967654
"1658397"	439.354688	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Na+HCOOH"	68.994688
"168539"	817.63904	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+2K-H"	76.91904
"609193"	1187.99904	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+2K-H"	76.91904
"1094801"	447.27904	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2K-H"	76.91904
"150523"	409.323158	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"2M+2K"	77.926316
"594459"	594.503158	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"3M+2K"	77.926316
"1081160"	224.143158	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2K"	77.926316
"1111089"	449.293592	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2K+H"	78.933592
"1348565"	449.381207	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+DMSO+H"	79.021207
"1014906"	453.420376	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2ACN+H"	83.060376
"1539357"	454.414008	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+IsoProp+Na+H"	84.054008
"1003858"	227.213826	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+2ACN+2H"	84.067652
"1600548"	455.328628	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+K+HCOOH"	84.968628
"1414669"	485.360138	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+H+CF3COOH"	115.000138
"1149939"	247.727101	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+3ACN+2H"	125.094202
"1707145"	502.386685	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+NH4+CF3COOH"	132.026685
"1639515"	507.34208	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+Na+CF3COOH"	136.98208
"1571884"	523.31602	"C05416"	"5-Cholestene;Cholest-5-ene"	"C27H46"	"370.36"	"M+K+CF3COOH"	152.95602
"801468"	386.3549	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M"	0
"980164"	367.33651	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"64031"	256.562657333333	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"507965"	385.347624	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"886862"	127.777690666667	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"5438"	385.347624	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"445000"	578.525074	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"822802"	192.170174	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"79513"	771.702524	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"520167"	1158.057424	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"909270"	385.347624	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"59272"	788.729071	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"497007"	1175.083971	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"874809"	402.374171	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"33238"	793.684466	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"472919"	1180.039366	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"848523"	407.329566	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1618456"	407.329566	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"95929"	403.335963	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"536218"	596.513413	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"928763"	210.158513	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"267601"	807.679202	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"666185"	1194.034102	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1275670"	421.324302	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"18956"	809.658406	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"461799"	1196.013306	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"838143"	423.303506	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1560172"	423.303506	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"945138"	431.353094	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"364445"	817.708001	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"350155"	831.723651	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1497166"	445.368751	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"963978"	453.335051	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"113247"	421.324302	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"551104"	614.501752	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1024158"	228.146852	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1243371"	465.273785	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1305091"	467.329772	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1322586"	489.311729	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"912306"	499.340486	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1288976"	535.317164	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1367789"	351.342224	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1391493"	369.3522	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"285710"	773.717076	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"675732"	1160.071976	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1352654"	387.362176	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H"	1.007276
"125935"	387.362176	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"565903"	580.539626	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1037782"	194.184726	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"204625"	258.577209333333	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"644477"	387.362176	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1162965"	129.792242666667	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"424547"	790.743623	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"786072"	1177.098523	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1681418"	404.388723	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"345526"	395.8754495	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"738392"	589.0528995	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1492704"	202.6979995	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"408496"	795.699018	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"769906"	1182.053918	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1612241"	409.344118	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"326651"	398.353147	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"717979"	591.530597	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1476052"	205.175697	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1065045"	137.119556666667	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1270008"	419.388386	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"390770"	811.672958	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"750673"	1198.027858	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1551631"	425.318058	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+K"	38.963158
"310994"	406.340117	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"695761"	599.517567	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1452863"	213.162667	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"244746"	814.743626	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1213082"	428.388726	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1203525"	214.698001	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"195301"	817.68096	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"638142"	1204.03586	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1140555"	431.32606	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"181657"	409.344118	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"619399"	602.521568	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1121446"	216.166668	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1406061"	144.446870666667	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1429990"	433.367646	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"228966"	414.37714	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1509859"	447.41969	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"408607"	417.331088	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"770495"	610.508538	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1667477"	224.153638	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"255101"	836.725568	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1226715"	450.370668	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1713045"	450.394193	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1185335"	151.774184666667	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1661789"	455.349588	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"166462"	849.62884	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"607116"	1235.98374	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1097097"	463.27394	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"147353"	425.318058	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"592382"	618.495508	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1076893"	232.140608	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1114114"	465.288492	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1347581"	465.376107	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1012829"	469.415276	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1535330"	470.408908	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"1005021"	235.211276	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1601387"	471.323528	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1414779"	501.355038	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1150414"	255.724551	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1703976"	518.381585	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1637437"	523.33698	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1573452"	539.31092	"C05417"	"56beta-Epoxy-5beta-cholestane"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"810019"	402.3498	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M"	0
"980274"	383.33141	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"68516"	267.225924	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"514638"	401.342524	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"890253"	133.109324	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"6641"	401.342524	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"445110"	602.517424	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"826192"	200.167624	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"82903"	803.692324	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"520398"	1206.042124	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"909016"	401.342524	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"60476"	820.718871	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"497484"	1223.068671	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"877474"	418.369071	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"33346"	825.674266	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"475092"	1228.024066	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"858361"	423.324466	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1622427"	423.324466	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"102236"	419.330863	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"535476"	620.505763	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"928138"	218.155963	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"267381"	839.669002	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"661917"	1242.018802	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1274319"	437.319202	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"16751"	841.648206	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"461909"	1243.998006	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"837525"	439.298406	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1556353"	439.298406	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"945249"	447.347994	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"363461"	849.697801	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"349901"	863.713451	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1497642"	461.363651	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"964088"	469.329951	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"114453"	437.319202	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"551098"	638.494102	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1026093"	236.144302	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1242267"	481.268685	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1304835"	483.324672	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1321240"	505.306629	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"911688"	515.335386	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1288638"	551.312064	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1367044"	367.337124	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1391967"	385.3471	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"285820"	805.706876	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"678242"	1208.056676	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1352039"	403.357076	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"125786"	403.357076	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"565975"	604.531976	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1037245"	202.182176	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"204400"	269.240476	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"644873"	403.357076	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1163603"	135.123876	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"424698"	822.733423	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"786545"	1225.083223	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1681896"	420.383623	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"344783"	411.8703495	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"738053"	613.0452495	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1492443"	210.6954495	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"407882"	827.688818	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"769365"	1230.038618	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1613445"	425.339018	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"327734"	414.348047	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"720276"	615.522947	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1473002"	213.173147	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1061875"	142.45119	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1267927"	435.383286	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"388693"	843.662758	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"749688"	1246.012558	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1551742"	441.312958	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"310013"	422.335017	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"700244"	623.509917	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1456254"	221.160117	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"241576"	846.733426	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1212099"	444.383626	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1200355"	222.695451	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"193224"	849.67076	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"634970"	1252.02056	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1138477"	447.32096	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"180673"	425.339018	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"619142"	626.513918	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1123742"	224.164118	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1407265"	149.778504	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1432821"	449.362546	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"228711"	430.37204	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1508456"	463.41459	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"408771"	433.325988	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"770076"	634.500888	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1666044"	232.151088	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"259587"	868.715368	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1233388"	466.365568	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1717899"	466.389093	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1191642"	157.105818	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1665061"	471.344488	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"166572"	881.61864	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"605040"	1283.96844	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1089553"	479.26884	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"144182"	441.312958	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"590305"	642.487858	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1072629"	240.138058	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1113130"	481.283392	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1346600"	481.371007	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1016219"	485.410176	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1528877"	486.403808	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"999702"	243.208726	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1598581"	487.318428	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1415132"	517.349938	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1156720"	263.722001	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1707366"	534.376485	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1637547"	539.33188	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1573199"	555.30582	"C05418"	"Cholesterol-5beta6beta-epoxide;5beta6beta-Epoxycholestan-3beta-ol;56beta-Epoxy-5beta-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"810133"	544.5008	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M"	0
"983665"	525.48241	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-H2O-H"	-19.01839
"73000"	361.993257333333	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M-3H"	-3.021828
"512562"	543.493524	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M-3H"	-3.021828
"893645"	180.492990666667	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-3H"	-3.021828
"12221"	543.493524	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M-2H"	-2.014552
"449592"	815.743924	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M-2H"	-2.014552
"824115"	271.243124	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-2H"	-2.014552
"83014"	1087.994324	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M-H"	-1.007276
"522575"	1632.495124	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M-H"	-1.007276
"909492"	543.493524	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-H"	-1.007276
"59857"	1105.020871	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M-2H+NH4"	16.019271
"498322"	1649.521671	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M-2H+NH4"	16.019271
"878312"	560.520071	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-2H+NH4"	16.019271
"33458"	1109.976266	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M-2H+Na"	20.974666
"476299"	1654.477066	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M-2H+Na"	20.974666
"849725"	565.475466	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-2H+Na"	20.974666
"1624727"	565.475466	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Na-2H"	20.974666
"95786"	561.481863	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M-H+Cl"	33.962126
"536439"	833.732263	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M-H+Cl"	33.962126
"928859"	289.231463	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-H+Cl"	33.962126
"268506"	1123.971002	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+Cl"	34.969402
"660073"	1668.471802	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+Cl"	34.969402
"1272780"	579.470202	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Cl"	34.969402
"17110"	1125.950206	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M-2H+K"	36.948606
"456308"	1670.451006	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M-2H+K"	36.948606
"835447"	581.449406	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-2H+K"	36.948606
"1559665"	581.449406	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+K-2H"	36.948606
"946454"	589.498994	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-H+HCOOH"	44.998194
"364303"	1133.999801	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+HCOOH-H"	44.998201
"348188"	1148.015451	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+Hac-H"	59.013851
"1495201"	603.514651	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Hac-H"	59.013851
"961280"	611.480951	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-H+NaCOOH"	66.980151
"112011"	579.470202	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+2Cl"	69.938804
"554854"	851.720602	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+2Cl"	69.938804
"1028391"	307.219802	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2Cl"	69.938804
"1244323"	623.419685	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Br"	78.918885
"1304582"	625.475672	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Cl+HCOOH"	80.974872
"1320618"	647.457629	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Cl+NaCOOH"	102.956829
"912893"	657.486386	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M-H+CF3COOH"	112.985586
"1289485"	693.463064	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Cl+CF3COOH"	148.962264
"1367647"	509.488124	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H-2H2O"	-35.012676
"1390984"	527.4981	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H-H2O"	-17.0027
"290671"	1090.008876	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+H"	1.007276
"679811"	1634.509676	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+H"	1.007276
"1351701"	545.508076	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H"	1.007276
"126171"	545.508076	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+2H"	2.014552
"566171"	817.758476	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+2H"	2.014552
"1037517"	273.257676	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2H"	2.014552
"204295"	364.007809333333	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+3H"	3.021828
"644742"	545.508076	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+3H"	3.021828
"1163473"	182.507542666667	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+3H"	3.021828
"427363"	1107.035423	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+NH4"	18.033823
"785800"	1651.536223	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+NH4"	18.033823
"1681888"	562.534623	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+NH4"	18.033823
"345425"	554.0213495	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+H+NH4"	19.041099
"735970"	826.2717495	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+H+NH4"	19.041099
"1491248"	281.7709495	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H+NH4"	19.041099
"407629"	1111.990818	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+Na"	22.989218
"769352"	1656.491618	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+Na"	22.989218
"1616597"	567.490018	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Na"	22.989218
"328940"	556.499047	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+H+Na"	23.996494
"719296"	828.749447	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+H+Na"	23.996494
"1475181"	284.248647	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H+Na"	23.996494
"1063079"	189.834856666667	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2H+Na"	25.00377
"1266947"	577.534286	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+CH3OH+H"	33.033486
"388804"	1127.964758	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+K"	38.963158
"747611"	1672.465558	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+K"	38.963158
"1551857"	583.463958	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+K"	38.963158
"305749"	564.486017	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+H+K"	39.970434
"695984"	836.736417	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+H+K"	39.970434
"1455272"	292.235617	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H+K"	39.970434
"239499"	1131.035426	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+ACN+H"	42.033826
"1214395"	586.534626	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+ACN+H"	42.033826
"1202650"	293.770951	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+ACN+2H"	43.041102
"195520"	1133.97276	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+2Na-H"	44.97116
"635082"	1678.47356	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+2Na-H"	44.97116
"1139680"	589.47196	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2Na-H"	44.97116
"184066"	567.490018	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+2Na"	45.978436
"624720"	839.740418	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+2Na"	45.978436
"1126038"	295.239618	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2Na"	45.978436
"1409197"	197.162170666667	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H+2Na"	46.985712
"1437303"	591.513546	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H+HCOOH"	47.012746
"224811"	572.52304	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+3H2O+2H"	56.04448
"1510686"	605.56559	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+IsoProp+H"	61.06479
"413651"	575.476988	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+Na+K"	61.952376
"770759"	847.727388	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+Na+K"	61.952376
"1666605"	303.226588	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Na+K"	61.952376
"258604"	1153.017368	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+ACN+Na"	64.015768
"1233501"	608.516568	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+ACN+Na"	64.015768
"1724575"	608.540093	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+NH4+HCOOH"	64.039293
"1188836"	204.489484666667	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+3Na"	68.967654
"1659822"	613.495488	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Na+HCOOH"	68.994688
"164496"	1165.92064	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+2K-H"	76.91904
"601869"	1710.42144	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+2K-H"	76.91904
"1088567"	621.41984	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2K-H"	76.91904
"147571"	583.463958	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"2M+2K"	77.926316
"591507"	855.714358	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"3M+2K"	77.926316
"1081488"	311.213558	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2K"	77.926316
"1110323"	623.434392	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2K+H"	78.933592
"1345613"	623.522007	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+DMSO+H"	79.021207
"1015236"	627.561176	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2ACN+H"	83.060376
"1537738"	628.554808	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+IsoProp+Na+H"	84.054008
"995440"	314.284226	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+2ACN+2H"	84.067652
"1588851"	629.469428	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+K+HCOOH"	84.968628
"1415971"	659.500938	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+H+CF3COOH"	115.000138
"1159017"	334.797501	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+3ACN+2H"	125.094202
"1702007"	676.527485	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+NH4+CF3COOH"	132.026685
"1638752"	681.48288	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+Na+CF3COOH"	136.98208
"1572580"	697.45682	"C05421"	"15-cis-Phytoene;Phytoene"	"C40H64"	"544.5008"	"M+K+CF3COOH"	152.95602
"806960"	174.0164	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M"	0
"977212"	154.99801	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-H2O-H"	-19.01839
"76393"	115.003657333333	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M-3H"	-3.021828
"512676"	173.009124	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M-3H"	-3.021828
"888288"	56.9981906666667	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-3H"	-3.021828
"10146"	173.009124	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M-2H"	-2.014552
"451894"	260.017324	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M-2H"	-2.014552
"831155"	86.000924	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-2H"	-2.014552
"88594"	347.025524	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M-H"	-1.007276
"532895"	521.041924	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M-H"	-1.007276
"907054"	173.009124	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-H"	-1.007276
"59238"	364.052071	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M-2H+NH4"	16.019271
"500623"	538.068471	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M-2H+NH4"	16.019271
"874414"	190.035671	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-2H+NH4"	16.019271
"36849"	369.007466	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M-2H+Na"	20.974666
"471906"	543.023866	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M-2H+Na"	20.974666
"849140"	194.991066	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-2H+Na"	20.974666
"1618874"	194.991066	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Na-2H"	20.974666
"94806"	190.997463	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M-H+Cl"	33.962126
"535090"	278.005663	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M-H+Cl"	33.962126
"928970"	103.989263	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-H+Cl"	33.962126
"270804"	383.002202	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+Cl"	34.969402
"660802"	557.018602	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+Cl"	34.969402
"1273397"	208.985802	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Cl"	34.969402
"16367"	384.981406	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M-2H+K"	36.948606
"459216"	558.997806	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M-2H+K"	36.948606
"835923"	210.965006	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-2H+K"	36.948606
"1559050"	210.965006	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+K-2H"	36.948606
"948023"	219.014594	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-H+HCOOH"	44.998194
"368425"	393.031001	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+HCOOH-H"	44.998201
"352310"	407.046651	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+Hac-H"	59.013851
"1500050"	233.030251	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Hac-H"	59.013851
"967954"	240.996551	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-H+NaCOOH"	66.980151
"114309"	208.985802	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+2Cl"	69.938804
"556057"	295.994002	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+2Cl"	69.938804
"1026314"	121.977602	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2Cl"	69.938804
"1244797"	252.935285	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Br"	78.918885
"1305178"	254.991272	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Cl+HCOOH"	80.974872
"1320728"	276.973229	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Cl+NaCOOH"	102.956829
"913975"	287.001986	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M-H+CF3COOH"	112.985586
"1289958"	322.978664	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Cl+CF3COOH"	148.962264
"1367756"	139.003724	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H-2H2O"	-35.012676
"1387815"	157.0137	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H-H2O"	-17.0027
"291874"	349.040076	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+H"	1.007276
"685388"	523.056476	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+H"	1.007276
"1354446"	175.023676	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H"	1.007276
"128426"	175.023676	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+2H"	2.014552
"565918"	262.031876	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+2H"	2.014552
"1037263"	88.015476	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2H"	2.014552
"204632"	117.018209333333	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+3H"	3.021828
"644487"	175.023676	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+3H"	3.021828
"1162869"	59.0127426666667	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+3H"	3.021828
"426380"	366.066623	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+NH4"	18.033823
"785911"	540.083023	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+NH4"	18.033823
"1681512"	192.050223	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+NH4"	18.033823
"330759"	183.5369495	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+H+NH4"	19.041099
"738145"	270.5451495	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+H+NH4"	19.041099
"1491357"	96.5287495	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H+NH4"	19.041099
"408177"	371.022018	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+Na"	22.989218
"766662"	545.038418	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+Na"	22.989218
"1613668"	197.005618	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Na"	22.989218
"323704"	186.014647	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+H+Na"	23.996494
"720258"	273.022847	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+H+Na"	23.996494
"1472133"	99.006447	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H+Na"	23.996494
"1059911"	66.3400566666667	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2H+Na"	25.00377
"1265964"	207.049886	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+CH3OH+H"	33.033486
"388914"	386.995958	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+K"	38.963158
"749909"	561.012358	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+K"	38.963158
"1553789"	212.979558	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+K"	38.963158
"306953"	194.001617	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+H+K"	39.970434
"696097"	281.009817	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+H+K"	39.970434
"1451009"	106.993417	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H+K"	39.970434
"235725"	390.066626	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+ACN+H"	42.033826
"1215599"	216.050226	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+ACN+H"	42.033826
"1199481"	108.528751	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+ACN+2H"	43.041102
"195630"	393.00396	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+2Na-H"	44.97116
"638472"	567.02036	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+2Na-H"	44.97116
"1139790"	218.98756	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2Na-H"	44.97116
"186727"	197.005618	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+2Na"	45.978436
"622642"	284.013818	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+2Na"	45.978436
"1128335"	109.997418	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2Na"	45.978436
"1408578"	73.6673706666667	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H+2Na"	46.985712
"1439600"	221.029146	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H+HCOOH"	47.012746
"229294"	202.03864	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+3H2O+2H"	56.04448
"1512984"	235.08119	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+IsoProp+H"	61.06479
"411573"	204.992588	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+Na+K"	61.952376
"771961"	292.000788	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+Na+K"	61.952376
"1668900"	117.984388	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Na+K"	61.952376
"253598"	412.048568	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+ACN+Na"	64.015768
"1227049"	238.032168	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+ACN+Na"	64.015768
"1724685"	238.055693	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+NH4+HCOOH"	64.039293
"1186758"	80.9946846666667	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+3Na"	68.967654
"1658839"	243.011088	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Na+HCOOH"	68.994688
"164607"	424.95184	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+2K-H"	76.91904
"604167"	598.96824	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+2K-H"	76.91904
"1086854"	250.93544	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2K-H"	76.91904
"145494"	212.979558	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"2M+2K"	77.926316
"591617"	299.987758	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"3M+2K"	77.926316
"1080140"	125.971358	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2K"	77.926316
"1111527"	252.949992	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2K+H"	78.933592
"1343536"	253.037607	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+DMSO+H"	79.021207
"1015346"	257.076776	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2ACN+H"	83.060376
"1535661"	258.070408	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+IsoProp+Na+H"	84.054008
"994456"	129.042026	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+2ACN+2H"	84.067652
"1588961"	258.985028	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+K+HCOOH"	84.968628
"1414501"	289.016538	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+H+CF3COOH"	115.000138
"1156940"	149.555301	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+3ACN+2H"	125.094202
"1701024"	306.043085	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+NH4+CF3COOH"	132.026685
"1634610"	310.99848	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+Na+CF3COOH"	136.98208
"1576702"	326.97242	"C05422"	"Dehydroascorbate;Dehydroascorbic acid;L-Dehydroascorbate;L-Dehydroascorbic acid"	"C6H6O6"	"174.0164"	"M+K+CF3COOH"	152.95602
"801965"	386.3549	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M"	0
"978415"	367.33651	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"74314"	256.562657333333	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"516063"	385.347624	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"890586"	127.777690666667	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"11346"	385.347624	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"443252"	578.525074	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"818137"	192.170174	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"79340"	771.702524	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"519633"	1158.057424	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"904972"	385.347624	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"59713"	788.729071	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"491252"	1175.083971	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"872334"	402.374171	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"40237"	793.684466	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"475425"	1180.039366	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"855412"	407.329566	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1626039"	407.329566	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"96006"	403.335963	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"535322"	596.513413	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"929077"	210.158513	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"270549"	807.679202	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"660334"	1194.034102	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1272944"	421.324302	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"16588"	809.658406	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"461148"	1196.013306	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"838950"	423.303506	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1562440"	423.303506	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"950321"	431.353094	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"367441"	817.708001	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"353879"	831.723651	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1500890"	445.368751	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"967699"	453.335051	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"115515"	421.324302	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"552887"	614.501752	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1026788"	228.146852	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1245635"	465.273785	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1305408"	467.329772	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1320717"	489.311729	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"913356"	499.340486	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1290066"	535.317164	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1368592"	351.342224	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1395215"	369.3522	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"291984"	773.717076	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"678938"	1160.071976	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1354191"	387.362176	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H"	1.007276
"126714"	387.362176	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"566512"	580.539626	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1037372"	194.184726	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"204666"	258.577209333333	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"644720"	387.362176	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1163697"	129.792242666667	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"424904"	790.743623	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"787843"	1177.098523	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1682351"	404.388723	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"330220"	395.8754495	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"736550"	589.0528995	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1490372"	202.6979995	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"408371"	795.699018	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"765679"	1182.053918	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1612685"	409.344118	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"327094"	398.353147	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"717328"	591.530597	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1470056"	205.175697	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1058927"	137.119556666667	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1267168"	419.388386	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"392183"	811.672958	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"746738"	1198.027858	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1553166"	425.318058	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+K"	38.963158
"311437"	406.340117	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"698393"	599.517567	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1453306"	213.162667	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"238628"	814.743626	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1213523"	428.388726	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1202872"	214.698001	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"196833"	817.68096	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"638583"	1204.03586	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1139899"	431.32606	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"186108"	409.344118	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"622752"	602.521568	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1128445"	216.166668	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1408688"	144.446870666667	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1437523"	433.367646	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"229404"	414.37714	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1514187"	447.41969	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"411318"	417.331088	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"772313"	610.508538	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1667306"	224.153638	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"255894"	836.725568	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1228252"	450.370668	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1722608"	450.394193	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1186868"	151.774184666667	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1656762"	455.349588	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"162530"	849.62884	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"599903"	1235.98374	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1089881"	463.27394	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"144507"	425.318058	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"590633"	618.495508	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1081710"	232.140608	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1107264"	465.288492	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1345836"	465.376107	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1012176"	469.415276	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1532491"	470.408908	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"995660"	235.211276	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1593445"	471.323528	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1418012"	501.355038	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1157050"	255.724551	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1709882"	518.381585	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1634964"	523.33698	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1576812"	539.31092	"C05423"	"56alpha-Epoxy-5alpha-cholestane"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"802439"	404.3654	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M"	0
"977432"	385.34701	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-H2O-H"	-19.01839
"67862"	268.569657333333	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M-3H"	-3.021828
"507424"	403.358124	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M-3H"	-3.021828
"892883"	133.781190666667	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-3H"	-3.021828
"11456"	403.358124	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M-2H"	-2.014552
"443362"	605.540824	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M-2H"	-2.014552
"823352"	201.175424	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-2H"	-2.014552
"80185"	807.723524	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M-H"	-1.007276
"527280"	1212.088924	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M-H"	-1.007276
"905082"	403.358124	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-H"	-1.007276
"58730"	824.750071	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M-2H+NH4"	16.019271
"491362"	1229.115471	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M-2H+NH4"	16.019271
"874631"	420.384671	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-2H+NH4"	16.019271
"39254"	829.705466	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M-2H+Na"	20.974666
"475534"	1234.070866	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M-2H+Na"	20.974666
"851149"	425.340066	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-2H+Na"	20.974666
"1621776"	425.340066	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Na-2H"	20.974666
"94775"	421.346463	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M-H+Cl"	33.962126
"536038"	623.529163	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M-H+Cl"	33.962126
"928458"	219.163763	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-H+Cl"	33.962126
"268228"	843.700202	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+Cl"	34.969402
"660043"	1248.065602	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+Cl"	34.969402
"1273054"	439.334802	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Cl"	34.969402
"15796"	845.679406	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M-2H+K"	36.948606
"462352"	1250.044806	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M-2H+K"	36.948606
"840154"	441.314006	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-2H+K"	36.948606
"1561456"	441.314006	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+K-2H"	36.948606
"949338"	449.363594	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-H+HCOOH"	44.998194
"367552"	853.729001	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+HCOOH-H"	44.998201
"350706"	867.744651	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+Hac-H"	59.013851
"1498081"	463.379251	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Hac-H"	59.013851
"966716"	471.345551	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-H+NaCOOH"	66.980151
"116717"	439.334802	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+2Cl"	69.938804
"552995"	641.517502	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+2Cl"	69.938804
"1023980"	237.152102	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2Cl"	69.938804
"1242465"	483.284285	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Br"	78.918885
"1304302"	485.340272	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Cl+HCOOH"	80.974872
"1321678"	507.322229	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Cl+NaCOOH"	102.956829
"911885"	517.350986	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M-H+CF3COOH"	112.985586
"1290540"	553.327664	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Cl+CF3COOH"	148.962264
"1368338"	369.352724	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H-2H2O"	-35.012676
"1395689"	387.3627	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H-H2O"	-17.0027
"294281"	809.738076	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+H"	1.007276
"679048"	1214.103476	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+H"	1.007276
"1353209"	405.372676	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H"	1.007276
"127432"	405.372676	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+2H"	2.014552
"566626"	607.555376	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+2H"	2.014552
"1037280"	203.189976	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2H"	2.014552
"204657"	270.584209333333	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+3H"	3.021828
"644463"	405.372676	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+3H"	3.021828
"1163199"	135.795742666667	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+3H"	3.021828
"424486"	826.764623	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+NH4"	18.033823
"786130"	1231.130023	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+NH4"	18.033823
"1682462"	422.399223	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+NH4"	18.033823
"330373"	413.8859495	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+H+NH4"	19.041099
"737389"	616.0686495	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+H+NH4"	19.041099
"1492183"	211.7032495	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H+NH4"	19.041099
"408235"	831.720018	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+Na"	22.989218
"763604"	1236.085418	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+Na"	22.989218
"1611703"	427.354618	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Na"	22.989218
"327203"	416.363647	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+H+Na"	23.996494
"717439"	618.546347	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+H+Na"	23.996494
"1472352"	214.180947	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H+Na"	23.996494
"1060131"	143.123056666667	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2H+Na"	25.00377
"1266185"	437.398886	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+CH3OH+H"	33.033486
"390957"	847.693958	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+K"	38.963158
"745753"	1252.059358	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+K"	38.963158
"1549995"	443.328558	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+K"	38.963158
"311548"	424.350617	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+H+K"	39.970434
"695223"	626.533317	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+H+K"	39.970434
"1453416"	222.167917	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H+K"	39.970434
"239830"	850.764626	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+ACN+H"	42.033826
"1216913"	446.399226	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+ACN+H"	42.033826
"1204075"	223.703251	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+ACN+2H"	43.041102
"196944"	853.70196	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+2Na-H"	44.97116
"637598"	1258.06736	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+2Na-H"	44.97116
"1143290"	449.33656	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2Na-H"	44.97116
"185488"	427.354618	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+2Na"	45.978436
"621767"	629.537318	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+2Na"	45.978436
"1128554"	225.171918	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2Na"	45.978436
"1408801"	150.450370666667	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H+2Na"	46.985712
"1435449"	451.378146	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H+HCOOH"	47.012746
"231703"	432.38764	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+3H2O+2H"	56.04448
"1509191"	465.43019	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+IsoProp+H"	61.06479
"415076"	435.341588	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+Na+K"	61.952376
"776072"	637.524288	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+Na+K"	61.952376
"1670216"	233.158888	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Na+K"	61.952376
"253087"	872.746568	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+ACN+Na"	64.015768
"1227635"	468.381168	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+ACN+Na"	64.015768
"1721624"	468.404693	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+NH4+HCOOH"	64.039293
"1188072"	157.777684666667	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+3Na"	68.967654
"1661247"	473.360088	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Na+HCOOH"	68.994688
"161547"	885.64984	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+2K-H"	76.91904
"603293"	1290.01524	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+2K-H"	76.91904
"1092178"	481.28444	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2K-H"	76.91904
"144982"	443.328558	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"2M+2K"	77.926316
"583816"	645.511258	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"3M+2K"	77.926316
"1078537"	241.145858	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2K"	77.926316
"1111747"	483.298992	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2K+H"	78.933592
"1345944"	483.386607	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+DMSO+H"	79.021207
"1013380"	487.425776	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2ACN+H"	83.060376
"1533694"	488.419408	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+IsoProp+Na+H"	84.054008
"993582"	244.216526	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+2ACN+2H"	84.067652
"1594647"	489.334028	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+K+HCOOH"	84.968628
"1415935"	519.365538	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+H+CF3COOH"	115.000138
"1148166"	264.729801	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+3ACN+2H"	125.094202
"1706712"	536.392085	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+NH4+CF3COOH"	132.026685
"1635803"	541.34748	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+Na+CF3COOH"	136.98208
"1573642"	557.32142	"C05424"	"5alpha-Cholestan-5alpha6beta-diol"	"C27H48O2"	"404.3654"	"M+K+CF3COOH"	152.95602
"802185"	420.3603	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M"	0
"979728"	401.34191	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-H2O-H"	-19.01839
"65782"	279.232924	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M-3H"	-3.021828
"507534"	419.353024	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M-3H"	-3.021828
"887526"	139.112824	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-3H"	-3.021828
"10473"	419.353024	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M-2H"	-2.014552
"443471"	629.533174	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M-2H"	-2.014552
"819088"	209.172874	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-2H"	-2.014552
"78834"	839.713324	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M-H"	-1.007276
"525567"	1260.073624	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M-H"	-1.007276
"905192"	419.353024	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-H"	-1.007276
"59569"	856.739871	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M-2H+NH4"	16.019271
"492565"	1277.100171	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M-2H+NH4"	16.019271
"872554"	436.379571	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-2H+NH4"	16.019271
"33896"	861.695266	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M-2H+Na"	20.974666
"478922"	1282.055566	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M-2H+Na"	20.974666
"850164"	441.334966	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-2H+Na"	20.974666
"1619819"	441.334966	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Na-2H"	20.974666
"94397"	437.341363	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M-H+Cl"	33.962126
"536877"	647.521513	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M-H+Cl"	33.962126
"927717"	227.161213	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-H+Cl"	33.962126
"267731"	875.690002	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+Cl"	34.969402
"660106"	1296.050302	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+Cl"	34.969402
"1272865"	455.329702	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Cl"	34.969402
"15879"	877.669206	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M-2H+K"	36.948606
"461369"	1298.029506	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M-2H+K"	36.948606
"840264"	457.308906	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-2H+K"	36.948606
"1558287"	457.308906	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+K-2H"	36.948606
"946169"	465.358494	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-H+HCOOH"	44.998194
"365476"	885.718801	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+HCOOH-H"	44.998201
"348265"	899.734451	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+Hac-H"	59.013851
"1496369"	479.374151	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Hac-H"	59.013851
"965733"	487.340451	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-H+NaCOOH"	66.980151
"113183"	455.329702	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+2Cl"	69.938804
"553105"	665.509852	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+2Cl"	69.938804
"1022632"	245.149552	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2Cl"	69.938804
"1242575"	499.279185	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Br"	78.918885
"1305022"	501.335172	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Cl+HCOOH"	80.974872
"1321424"	523.317129	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Cl+NaCOOH"	102.956829
"911669"	533.345886	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M-H+CF3COOH"	112.985586
"1289678"	569.322564	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Cl+CF3COOH"	148.962264
"1368449"	385.347624	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H-2H2O"	-35.012676
"1395799"	403.3576	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H-H2O"	-17.0027
"291111"	841.727876	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+H"	1.007276
"679157"	1262.088176	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+H"	1.007276
"1354412"	421.367576	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H"	1.007276
"127300"	421.367576	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+2H"	2.014552
"566979"	631.547726	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+2H"	2.014552
"1037131"	211.187426	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2H"	2.014552
"204275"	281.247476	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+3H"	3.021828
"644330"	421.367576	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+3H"	3.021828
"1164161"	141.127376	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+3H"	3.021828
"424749"	858.754423	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+NH4"	18.033823
"786111"	1279.114723	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+NH4"	18.033823
"1682938"	438.394123	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+NH4"	18.033823
"330031"	429.8808495	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+H+NH4"	19.041099
"723642"	640.0609995	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+H+NH4"	19.041099
"1492051"	219.7006995	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H+NH4"	19.041099
"408180"	863.709818	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+Na"	22.989218
"764806"	1284.070118	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+Na"	22.989218
"1610719"	443.349518	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Na"	22.989218
"326220"	432.358547	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+H+Na"	23.996494
"714268"	642.538697	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+H+Na"	23.996494
"1469182"	222.178397	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H+Na"	23.996494
"1060240"	148.45469	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2H+Na"	25.00377
"1265201"	453.393786	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+CH3OH+H"	33.033486
"389974"	879.683758	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+K"	38.963158
"748048"	1300.044058	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+K"	38.963158
"1547915"	459.323458	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+K"	38.963158
"308378"	440.345517	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+H+K"	39.970434
"694603"	650.525667	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+H+K"	39.970434
"1451339"	230.165367	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H+K"	39.970434
"238846"	882.754426	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+ACN+H"	42.033826
"1217023"	462.394126	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+ACN+H"	42.033826
"1204185"	231.700701	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+ACN+2H"	43.041102
"198147"	885.69176	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+2Na-H"	44.97116
"638802"	1306.05206	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+2Na-H"	44.97116
"1142307"	465.33146	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2Na-H"	44.97116
"185597"	443.349518	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+2Na"	45.978436
"622243"	653.529668	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+2Na"	45.978436
"1123563"	233.169368	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2Na"	45.978436
"1403809"	155.782004	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H+2Na"	46.985712
"1441025"	467.373046	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H+HCOOH"	47.012746
"230719"	448.38254	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+3H2O+2H"	56.04448
"1510762"	481.42509	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+IsoProp+H"	61.06479
"410448"	451.336488	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+Na+K"	61.952376
"775453"	661.516638	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+Na+K"	61.952376
"1668867"	241.156338	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Na+K"	61.952376
"252104"	904.736368	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+ACN+Na"	64.015768
"1226271"	484.376068	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+ACN+Na"	64.015768
"1721734"	484.399593	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+NH4+HCOOH"	64.039293
"1184902"	163.109318	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+3Na"	68.967654
"1654794"	489.354988	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Na+HCOOH"	68.994688
"164937"	917.63964	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+2K-H"	76.91904
"599877"	1337.99994	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+2K-H"	76.91904
"1087912"	497.27934	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2K-H"	76.91904
"143998"	459.323458	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"2M+2K"	77.926316
"585383"	669.503608	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"3M+2K"	77.926316
"1077554"	249.143308	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2K"	77.926316
"1109669"	499.293892	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2K+H"	78.933592
"1343866"	499.381507	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+DMSO+H"	79.021207
"1013490"	503.420676	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2ACN+H"	83.060376
"1531614"	504.414308	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+IsoProp+Na+H"	84.054008
"991015"	252.213976	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+2ACN+2H"	84.067652
"1598037"	505.328928	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+K+HCOOH"	84.968628
"1416166"	535.360438	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+H+CF3COOH"	115.000138
"1147912"	272.727251	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+3ACN+2H"	125.094202
"1707915"	552.386985	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+NH4+CF3COOH"	132.026685
"1635913"	557.34238	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+Na+CF3COOH"	136.98208
"1573752"	573.31632	"C05425"	"3beta5alpha6beta-Cholestanetriol;Cholestane-3beta-5alpha6beta-triol"	"C27H48O3"	"420.3603"	"M+K+CF3COOH"	152.95602
"801467"	456.2406	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M"	0
"977652"	437.22221	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-H2O-H"	-19.01839
"64799"	303.153124	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M-3H"	-3.021828
"507642"	455.233324	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M-3H"	-3.021828
"886541"	151.072924	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-3H"	-3.021828
"4021"	455.233324	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M-2H"	-2.014552
"443581"	683.353624	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M-2H"	-2.014552
"818105"	227.113024	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-2H"	-2.014552
"78595"	911.473924	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M-H"	-1.007276
"519846"	1367.714524	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M-H"	-1.007276
"898741"	455.233324	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-H"	-1.007276
"58950"	928.500471	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M-2H+NH4"	16.019271
"491582"	1384.741071	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M-2H+NH4"	16.019271
"872664"	472.259871	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-2H+NH4"	16.019271
"32912"	933.455866	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M-2H+Na"	20.974666
"473565"	1389.696466	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M-2H+Na"	20.974666
"849665"	477.215266	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-2H+Na"	20.974666
"1619319"	477.215266	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Na-2H"	20.974666
"94315"	473.221663	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M-H+Cl"	33.962126
"535286"	701.341963	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M-H+Cl"	33.962126
"927069"	245.101363	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-H+Cl"	33.962126
"267313"	947.450602	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+Cl"	34.969402
"660100"	1403.691202	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+Cl"	34.969402
"1273113"	491.210002	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Cl"	34.969402
"15809"	949.429806	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M-2H+K"	36.948606
"459291"	1405.670406	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M-2H+K"	36.948606
"833110"	493.189206	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-2H+K"	36.948606
"1557303"	493.189206	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+K-2H"	36.948606
"944817"	501.238794	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-H+HCOOH"	44.998194
"364493"	957.479401	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+HCOOH-H"	44.998201
"347645"	971.495051	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+Hac-H"	59.013851
"1495018"	515.254451	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Hac-H"	59.013851
"959642"	523.220751	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-H+NaCOOH"	66.980151
"110289"	491.210002	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+2Cl"	69.938804
"549960"	719.330302	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+2Cl"	69.938804
"1021374"	263.089702	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2Cl"	69.938804
"1241587"	535.159485	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Br"	78.918885
"1304315"	537.215472	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Cl+HCOOH"	80.974872
"1320026"	559.197429	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Cl+NaCOOH"	102.956829
"911394"	569.226186	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M-H+CF3COOH"	112.985586
"1289053"	605.202864	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Cl+CF3COOH"	148.962264
"1368678"	421.227924	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H-2H2O"	-35.012676
"1394816"	439.2379	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H-H2O"	-17.0027
"292314"	913.488476	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+H"	1.007276
"679267"	1369.729076	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+H"	1.007276
"1353792"	457.247876	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H"	1.007276
"127409"	457.247876	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+2H"	2.014552
"567332"	685.368176	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+2H"	2.014552
"1037705"	229.127576	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2H"	2.014552
"204635"	305.167676	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+3H"	3.021828
"645534"	457.247876	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+3H"	3.021828
"1163783"	153.087476	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+3H"	3.021828
"424742"	930.515023	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+NH4"	18.033823
"786342"	1386.755623	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+NH4"	18.033823
"1682309"	474.274423	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+NH4"	18.033823
"330509"	465.7611495	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+H+NH4"	19.041099
"723175"	693.8814495	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+H+NH4"	19.041099
"1491673"	237.6408495	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H+NH4"	19.041099
"405010"	935.470418	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+Na"	22.989218
"764915"	1391.711018	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+Na"	22.989218
"1611920"	479.229818	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Na"	22.989218
"321954"	468.238847	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+H+Na"	23.996494
"712190"	696.359147	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+H+Na"	23.996494
"1468195"	240.118547	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H+Na"	23.996494
"1060348"	160.41479	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2H+Na"	25.00377
"1263120"	489.274086	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+CH3OH+H"	33.033486
"382791"	951.444358	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+K"	38.963158
"745971"	1407.684958	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+K"	38.963158
"1544746"	495.203758	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+K"	38.963158
"307394"	476.225817	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+H+K"	39.970434
"693984"	704.346117	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+H+K"	39.970434
"1447438"	248.105517	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H+K"	39.970434
"238226"	954.515026	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+ACN+H"	42.033826
"1214944"	498.274426	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+ACN+H"	42.033826
"1196638"	249.640851	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+ACN+2H"	43.041102
"191696"	957.45236	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+2Na-H"	44.97116
"631619"	1413.69296	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+2Na-H"	44.97116
"1137314"	501.21176	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2Na-H"	44.97116
"181335"	479.229818	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+2Na"	45.978436
"617979"	707.350118	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+2Na"	45.978436
"1116746"	251.109518	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2Na"	45.978436
"1401002"	167.742104	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H+2Na"	46.985712
"1430316"	503.253346	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H+HCOOH"	47.012746
"221715"	484.26284	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+3H2O+2H"	56.04448
"1508878"	517.30539	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+IsoProp+H"	61.06479
"410192"	487.216788	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+Na+K"	61.952376
"771667"	715.337088	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+Na+K"	61.952376
"1666783"	259.096488	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Na+K"	61.952376
"252452"	976.496968	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+ACN+Na"	64.015768
"1226252"	520.256368	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+ACN+Na"	64.015768
"1721844"	520.279893	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+NH4+HCOOH"	64.039293
"1185012"	175.069418	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+3Na"	68.967654
"1652716"	525.235288	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Na+HCOOH"	68.994688
"165047"	989.40024	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+2K-H"	76.91904
"598529"	1445.64084	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+2K-H"	76.91904
"1088023"	533.15964	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2K-H"	76.91904
"143015"	495.203758	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"2M+2K"	77.926316
"583672"	723.324058	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"3M+2K"	77.926316
"1077664"	267.083458	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2K"	77.926316
"1108686"	535.174192	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2K+H"	78.933592
"1343976"	535.261807	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+DMSO+H"	79.021207
"1012506"	539.300976	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2ACN+H"	83.060376
"1530629"	540.294608	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+IsoProp+Na+H"	84.054008
"990154"	270.154126	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+2ACN+2H"	84.067652
"1594867"	541.209228	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+K+HCOOH"	84.968628
"1416155"	571.240738	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+H+CF3COOH"	115.000138
"1147077"	290.667401	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+3ACN+2H"	125.094202
"1708025"	588.267285	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+NH4+CF3COOH"	132.026685
"1635294"	593.22268	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+Na+CF3COOH"	136.98208
"1573862"	609.19662	"C05427"	"Phytyl diphosphate"	"C20H42O7P2"	"456.2406"	"M+K+CF3COOH"	152.95602
"803498"	540.4695	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M"	0
"978855"	521.45111	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-H2O-H"	-19.01839
"66002"	359.305724	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M-3H"	-3.021828
"507752"	539.462224	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M-3H"	-3.021828
"887744"	179.149224	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-3H"	-3.021828
"5225"	539.462224	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H"	-2.014552
"444784"	809.696974	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H"	-2.014552
"819309"	269.227474	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H"	-2.014552
"79050"	1079.931724	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M-H"	-1.007276
"525424"	1620.401224	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M-H"	-1.007276
"898851"	539.462224	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-H"	-1.007276
"58696"	1096.958271	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H+NH4"	16.019271
"494972"	1637.427771	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H+NH4"	16.019271
"871681"	556.488771	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H+NH4"	16.019271
"35209"	1101.913666	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H+Na"	20.974666
"475862"	1642.383166	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H+Na"	20.974666
"851476"	561.444166	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H+Na"	20.974666
"1619917"	561.444166	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na-2H"	20.974666
"95351"	557.450563	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M-H+Cl"	33.962126
"534907"	827.685313	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M-H+Cl"	33.962126
"927366"	287.215813	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+Cl"	33.962126
"268193"	1115.908402	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Cl"	34.969402
"660482"	1656.377902	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+Cl"	34.969402
"1275092"	575.438902	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl"	34.969402
"16310"	1117.887606	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H+K"	36.948606
"457940"	1658.357106	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H+K"	36.948606
"832870"	577.418106	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H+K"	36.948606
"1557773"	577.418106	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+K-2H"	36.948606
"942975"	585.467694	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+HCOOH"	44.998194
"361586"	1125.937201	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+HCOOH-H"	44.998201
"346661"	1139.952851	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Hac-H"	59.013851
"1494764"	599.483351	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Hac-H"	59.013851
"961573"	607.449651	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+NaCOOH"	66.980151
"111574"	575.438902	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2Cl"	69.938804
"550523"	845.673652	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2Cl"	69.938804
"1022121"	305.204152	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2Cl"	69.938804
"1242549"	619.388385	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Br"	78.918885
"1304265"	621.444372	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl+HCOOH"	80.974872
"1319977"	643.426329	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl+NaCOOH"	102.956829
"911355"	653.455086	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+CF3COOH"	112.985586
"1288494"	689.431764	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl+CF3COOH"	148.962264
"1369033"	505.456824	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H-2H2O"	-35.012676
"1395898"	523.4668	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H-H2O"	-17.0027
"292424"	1081.946276	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H"	1.007276
"678282"	1622.415776	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H"	1.007276
"1353537"	541.476776	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H"	1.007276
"127882"	541.476776	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2H"	2.014552
"568534"	811.711526	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2H"	2.014552
"1037574"	271.242026	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2H"	2.014552
"206328"	361.320276	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+3H"	3.021828
"644381"	541.476776	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+3H"	3.021828
"1162957"	181.163776	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+3H"	3.021828
"424607"	1098.972823	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+NH4"	18.033823
"786206"	1639.442323	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+NH4"	18.033823
"1681689"	558.503323	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+NH4"	18.033823
"330697"	549.9900495	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H+NH4"	19.041099
"722905"	820.2247995	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H+NH4"	19.041099
"1489717"	279.7552995	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+NH4"	19.041099
"407305"	1103.928218	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Na"	22.989218
"763928"	1644.397718	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+Na"	22.989218
"1615308"	563.458718	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na"	22.989218
"322064"	552.467747	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H+Na"	23.996494
"713393"	822.702497	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H+Na"	23.996494
"1466118"	282.232997	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+Na"	23.996494
"1061551"	188.49109	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2H+Na"	25.00377
"1264323"	573.502986	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+CH3OH+H"	33.033486
"385087"	1119.902158	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+K"	38.963158
"747174"	1660.371658	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+K"	38.963158
"1549228"	579.432658	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+K"	38.963158
"304224"	560.454717	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H+K"	39.970434
"691534"	830.689467	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H+K"	39.970434
"1445964"	290.219967	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+K"	39.970434
"237972"	1122.972826	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+ACN+H"	42.033826
"1212502"	582.503326	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+ACN+H"	42.033826
"1195655"	291.755301	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+ACN+2H"	43.041102
"190713"	1125.91016	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2Na-H"	44.97116
"633188"	1666.37966	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2Na-H"	44.97116
"1134508"	585.44066	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2Na-H"	44.97116
"177069"	563.458718	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2Na"	45.978436
"621006"	833.693468	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2Na"	45.978436
"1120136"	293.223968	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2Na"	45.978436
"1399772"	195.818404	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+2Na"	46.985712
"1430911"	587.482246	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+HCOOH"	47.012746
"221825"	568.49174	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+3H2O+2H"	56.04448
"1509274"	601.53429	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+IsoProp+H"	61.06479
"410302"	571.445688	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Na+K"	61.952376
"770807"	841.680438	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+Na+K"	61.952376
"1665877"	301.210938	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na+K"	61.952376
"251446"	1144.954768	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+ACN+Na"	64.015768
"1225913"	604.485268	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+ACN+Na"	64.015768
"1719767"	604.508793	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+NH4+HCOOH"	64.039293
"1182935"	203.145718	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+3Na"	68.967654
"1652826"	609.464188	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na+HCOOH"	68.994688
"161877"	1157.85804	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2K-H"	76.91904
"599248"	1698.32754	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2K-H"	76.91904
"1087767"	617.38854	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2K-H"	76.91904
"142760"	579.432658	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2K"	77.926316
"584511"	849.667408	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2K"	77.926316
"1076680"	309.197908	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2K"	77.926316
"1110982"	619.403092	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2K+H"	78.933592
"1345180"	619.490707	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+DMSO+H"	79.021207
"1011524"	623.529876	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2ACN+H"	83.060376
"1527461"	624.523508	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+IsoProp+Na+H"	84.054008
"990996"	312.268576	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+2ACN+2H"	84.067652
"1589875"	625.438128	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+K+HCOOH"	84.968628
"1416630"	655.469638	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+CF3COOH"	115.000138
"1147281"	332.781851	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+3ACN+2H"	125.094202
"1704855"	672.496185	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+NH4+CF3COOH"	132.026685
"1635403"	677.45158	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na+CF3COOH"	136.98208
"1573972"	693.42552	"C05430"	"all-trans-zeta-Carotene"	"C40H60"	"540.4695"	"M+K+CF3COOH"	152.95602
"809809"	538.4539	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M"	0
"977872"	519.43551	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-H2O-H"	-19.01839
"69394"	357.961990666667	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M-3H"	-3.021828
"508956"	537.446624	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M-3H"	-3.021828
"892231"	178.477357333333	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-3H"	-3.021828
"5338"	537.446624	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M-2H"	-2.014552
"441618"	806.673574	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M-2H"	-2.014552
"825983"	268.219674	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-2H"	-2.014552
"87067"	1075.900524	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M-H"	-1.007276
"528817"	1614.354424	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M-H"	-1.007276
"903339"	537.446624	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-H"	-1.007276
"56619"	1092.927071	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M-2H+NH4"	16.019271
"496180"	1631.380971	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M-2H+NH4"	16.019271
"875078"	554.473171	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-2H+NH4"	16.019271
"40790"	1097.882466	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M-2H+Na"	20.974666
"473786"	1636.336366	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M-2H+Na"	20.974666
"855962"	559.428566	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-2H+Na"	20.974666
"1620393"	559.428566	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Na-2H"	20.974666
"103118"	555.434963	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M-H+Cl"	33.962126
"539398"	824.661913	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M-H+Cl"	33.962126
"931455"	286.208013	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-H+Cl"	33.962126
"272199"	1111.877202	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+Cl"	34.969402
"661342"	1650.331102	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+Cl"	34.969402
"1276299"	573.423302	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Cl"	34.969402
"17761"	1113.856406	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M-2H+K"	36.948606
"457321"	1652.310306	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M-2H+K"	36.948606
"833784"	575.402506	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-2H+K"	36.948606
"1556542"	575.402506	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+K-2H"	36.948606
"944305"	583.452094	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-H+HCOOH"	44.998194
"362640"	1121.906001	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+HCOOH-H"	44.998201
"346280"	1135.921651	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+Hac-H"	59.013851
"1495602"	597.467751	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Hac-H"	59.013851
"959131"	605.434051	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-H+NaCOOH"	66.980151
"112417"	573.423302	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+2Cl"	69.938804
"553071"	842.650252	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+2Cl"	69.938804
"1024058"	304.196352	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2Cl"	69.938804
"1242907"	617.372785	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Br"	78.918885
"1306086"	619.428772	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Cl+HCOOH"	80.974872
"1322123"	641.410729	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Cl+NaCOOH"	102.956829
"911517"	651.439486	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M-H+CF3COOH"	112.985586
"1296093"	687.416164	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Cl+CF3COOH"	148.962264
"1379722"	503.441224	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H-2H2O"	-35.012676
"1398077"	521.4512	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H-H2O"	-17.0027
"292535"	1077.915076	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+H"	1.007276
"679490"	1616.368976	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+H"	1.007276
"1356202"	539.461176	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H"	1.007276
"133099"	539.461176	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+2H"	2.014552
"573750"	808.688126	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+2H"	2.014552
"1039268"	270.234226	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2H"	2.014552
"206439"	359.976542666667	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+3H"	3.021828
"647827"	539.461176	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+3H"	3.021828
"1164128"	180.491909333333	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+3H"	3.021828
"424272"	1094.941623	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+NH4"	18.033823
"788400"	1633.395523	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+NH4"	18.033823
"1685456"	556.487723	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+NH4"	18.033823
"344314"	547.9744495	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+H+NH4"	19.041099
"738490"	817.2013995	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+H+NH4"	19.041099
"1492378"	278.7474995	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H+NH4"	19.041099
"405961"	1099.897018	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+Na"	22.989218
"758574"	1638.350918	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+Na"	22.989218
"1607764"	561.443118	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Na"	22.989218
"319988"	550.452147	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+H+Na"	23.996494
"713504"	819.679097	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+H+Na"	23.996494
"1468420"	281.225197	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H+Na"	23.996494
"1060573"	187.819223333333	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2H+Na"	25.00377
"1269908"	571.487386	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+CH3OH+H"	33.033486
"388849"	1115.870958	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+K"	38.963158
"747290"	1654.324858	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+K"	38.963158
"1550438"	577.417058	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+K"	38.963158
"300080"	558.439117	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+H+K"	39.970434
"694565"	827.666067	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+H+K"	39.970434
"1448022"	289.212167	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H+K"	39.970434
"237107"	1118.941626	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+ACN+H"	42.033826
"1215167"	580.487726	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+ACN+H"	42.033826
"1196497"	290.747501	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+ACN+2H"	43.041102
"192282"	1121.87896	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+2Na-H"	44.97116
"631843"	1660.33286	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+2Na-H"	44.97116
"1137170"	583.42506	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2Na-H"	44.97116
"179367"	561.443118	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+2Na"	45.978436
"623304"	830.670068	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+2Na"	45.978436
"1121705"	292.216168	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2Na"	45.978436
"1408146"	195.146537333333	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H+2Na"	46.985712
"1436250"	585.466646	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H+HCOOH"	47.012746
"228862"	566.47614	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+3H2O+2H"	56.04448
"1512549"	599.51869	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+IsoProp+H"	61.06479
"410049"	569.430088	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+Na+K"	61.952376
"770674"	838.657038	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+Na+K"	61.952376
"1666638"	300.203138	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Na+K"	61.952376
"251540"	1140.923568	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+ACN+Na"	64.015768
"1227335"	602.469668	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+ACN+Na"	64.015768
"1722066"	602.493193	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+NH4+HCOOH"	64.039293
"1181954"	202.473851333333	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+3Na"	68.967654
"1657314"	607.448588	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Na+HCOOH"	68.994688
"164175"	1153.82684	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+2K-H"	76.91904
"604826"	1692.28074	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+2K-H"	76.91904
"1088973"	615.37294	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2K-H"	76.91904
"145063"	577.417058	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"2M+2K"	77.926316
"588998"	846.644008	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"3M+2K"	77.926316
"1080800"	308.190108	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2K"	77.926316
"1106718"	617.387492	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2K+H"	78.933592
"1342009"	617.475107	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+DMSO+H"	79.021207
"1017102"	621.514276	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2ACN+H"	83.060376
"1529759"	622.507908	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+IsoProp+Na+H"	84.054008
"995115"	311.260776	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+2ACN+2H"	84.067652
"1591806"	623.422528	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+K+HCOOH"	84.968628
"1414793"	653.454038	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+H+CF3COOH"	115.000138
"1148848"	331.774051	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+3ACN+2H"	125.094202
"1699132"	670.480585	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+NH4+CF3COOH"	132.026685
"1635147"	675.43598	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+Na+CF3COOH"	136.98208
"1571893"	691.40992	"C05431"	"all-trans-Neurosporene"	"C40H58"	"538.4539"	"M+K+CF3COOH"	152.95602
"807728"	536.4382	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M"	0
"975795"	517.41981	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"67318"	356.618190666667	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"511253"	535.430924	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"885779"	177.805457333333	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"3259"	535.430924	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"442822"	803.650024	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"826093"	267.211824	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"87178"	1071.869124	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"526740"	1608.307324	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"905634"	535.430924	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"58916"	1088.895671	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"498477"	1625.333871	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"876281"	552.457471	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"40900"	1093.851066	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"473896"	1630.289266	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"858259"	557.412866	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1621233"	557.412866	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"104321"	553.419263	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"539508"	821.638363	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"934117"	285.200163	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"273768"	1107.845802	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"662181"	1644.284002	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1275682"	571.407602	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"18235"	1109.825006	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"457067"	1646.263206	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"833773"	573.386806	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1556650"	573.386806	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"944414"	581.436394	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"361903"	1117.874601	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"346633"	1131.890251	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1494987"	595.452051	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"958833"	603.418351	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"110704"	571.407602	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"551357"	839.626702	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1022100"	303.188502	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1243381"	615.357085	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1305830"	617.413072	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1321867"	639.395029	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"911711"	649.423786	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1288669"	685.400464	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1367225"	501.425524	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1389675"	519.4355	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"286083"	1073.883676	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"678504"	1610.321876	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1357040"	537.445476	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H"	1.007276
"127741"	537.445476	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"568393"	805.664576	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1037266"	269.226376	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"204392"	358.632742666667	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"645748"	537.445476	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1162967"	179.820009333333	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"424347"	1090.910223	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"789235"	1627.348423	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1682284"	554.472023	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"344060"	545.9587495	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"738229"	814.1778495	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1490664"	277.7396495	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"407893"	1095.865618	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"761963"	1632.303818	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1606780"	559.427418	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"320098"	548.436447	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"714707"	816.655547	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1468530"	280.217347	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1060683"	187.147323333333	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1270019"	569.471686	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"390781"	1111.839558	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"746307"	1648.277758	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1548360"	575.401358	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+K"	38.963158
"302256"	556.423417	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"692853"	824.642517	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1448132"	288.204317	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"236004"	1114.910226	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1217464"	578.472026	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1198066"	289.739651	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"192393"	1117.84756	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"634139"	1654.28576	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1137645"	581.40936	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"181301"	559.427418	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"624143"	827.646518	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1125096"	291.208318	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1403879"	194.474637333333	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1435995"	583.450946	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"230065"	564.46044	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1513023"	597.50299	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"410159"	567.414388	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"770336"	835.633488	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1665773"	299.195288	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"251686"	1136.892168	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1227081"	600.453968	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1713084"	600.477493	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1183156"	201.801951333333	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1656331"	605.432888	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"162097"	1149.79544	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"602384"	1686.23364	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1087260"	613.35724	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"145173"	575.401358	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"589108"	843.620458	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1077994"	307.182258	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1105735"	615.371792	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1342119"	615.459407	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1017212"	619.498576	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1528776"	620.492208	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"994131"	310.252926	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1593009"	621.406828	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1415025"	651.438338	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1149323"	330.766201	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1701794"	668.464885	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1635257"	673.42028	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1572366"	689.39422	"C05432"	"Lycopene;all-trans-Lycopene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"804558"	536.4382	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M"	0
"978093"	517.41981	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"67428"	356.618190666667	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"511363"	535.430924	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"885890"	177.805457333333	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"4462"	535.430924	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"444025"	803.650024	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"824017"	267.211824	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"86195"	1071.869124	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"527944"	1608.307324	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"906841"	535.430924	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"55748"	1088.895671	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"496402"	1625.333871	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"877120"	552.457471	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"41009"	1093.851066	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"474007"	1630.289266	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"859463"	557.412866	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1620614"	557.412866	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"104431"	553.419263	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"539618"	821.638363	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"935321"	285.200163	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"271692"	1107.845802	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"663020"	1644.284002	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1275428"	571.407602	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"16889"	1109.825006	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"456041"	1646.263206	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"834610"	573.386806	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1557004"	573.386806	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"943229"	581.436394	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"362012"	1117.874601	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"345975"	1131.890251	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1495097"	595.452051	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"958987"	603.418351	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"111547"	571.407602	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"551837"	839.626702	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1022821"	303.188502	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1243131"	615.357085	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1306673"	617.413072	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1320888"	639.395029	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"915226"	649.423786	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1288615"	685.400464	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1367582"	501.425524	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1389785"	519.4355	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"284005"	1073.883676	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"678614"	1610.321876	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1353870"	537.445476	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H"	1.007276
"127122"	537.445476	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"570689"	805.664576	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1038028"	269.226376	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"204791"	358.632742666667	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"645858"	537.445476	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1163482"	179.820009333333	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"424690"	1090.910223	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"789345"	1627.348423	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1681539"	554.472023	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"344171"	545.9587495	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"738054"	814.1778495	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1491139"	277.7396495	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"405450"	1095.865618	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"759885"	1632.303818	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1607984"	559.427418	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"325675"	548.436447	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"718096"	816.655547	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1474106"	280.217347	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1059698"	187.147323333333	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1265751"	569.471686	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"387610"	1111.839558	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"749694"	1648.277758	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1551749"	575.401358	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+K"	38.963158
"301636"	556.423417	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"692233"	824.642517	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1447511"	288.204317	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"237937"	1114.910226	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1217574"	578.472026	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1197812"	289.739651	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"194692"	1117.84756	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"633156"	1654.28576	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1136297"	581.40936	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"183962"	559.427418	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"622430"	827.646518	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1122288"	291.208318	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1403624"	194.474637333333	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1433918"	583.450946	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"229082"	564.46044	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1510217"	597.50299	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"408964"	567.414388	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"769979"	835.633488	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1665738"	299.195288	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"251550"	1136.892168	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1226827"	600.453968	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1713071"	600.477493	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1184723"	201.801951333333	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1658628"	605.432888	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"164394"	1149.79544	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"601401"	1686.23364	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1087006"	613.35724	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"145282"	575.401358	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"592498"	843.620458	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1078104"	307.182258	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1105845"	615.371792	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1342229"	615.459407	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1012947"	619.498576	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1532165"	620.492208	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"994242"	310.252926	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1589837"	621.406828	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1418051"	651.438338	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1148340"	330.766201	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1705184"	668.464885	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1635367"	673.42028	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1572840"	689.39422	"C05433"	"alpha-Carotene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"807948"	538.4539	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M"	0
"978203"	519.43551	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-H2O-H"	-19.01839
"64622"	357.961990666667	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M-3H"	-3.021828
"511473"	537.446624	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M-3H"	-3.021828
"886000"	178.477357333333	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-3H"	-3.021828
"4572"	537.446624	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H"	-2.014552
"445229"	806.673574	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H"	-2.014552
"823034"	268.219674	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-2H"	-2.014552
"87399"	1075.900524	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M-H"	-1.007276
"530242"	1614.354424	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M-H"	-1.007276
"906951"	537.446624	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-H"	-1.007276
"55857"	1092.927071	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H+NH4"	16.019271
"501374"	1631.380971	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H+NH4"	16.019271
"877837"	554.473171	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-2H+NH4"	16.019271
"44766"	1097.882466	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H+Na"	20.974666
"474118"	1636.336366	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H+Na"	20.974666
"853013"	559.428566	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-2H+Na"	20.974666
"1619630"	559.428566	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Na-2H"	20.974666
"96158"	555.434963	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M-H+Cl"	33.962126
"536811"	824.661913	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M-H+Cl"	33.962126
"927198"	286.208013	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-H+Cl"	33.962126
"272894"	1111.877202	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+Cl"	34.969402
"661311"	1650.331102	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+Cl"	34.969402
"1273716"	573.423302	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl"	34.969402
"16999"	1113.856406	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H+K"	36.948606
"457040"	1652.310306	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H+K"	36.948606
"833626"	575.402506	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-2H+K"	36.948606
"1556871"	575.402506	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+K-2H"	36.948606
"943220"	583.452094	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-H+HCOOH"	44.998194
"361718"	1121.906001	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+HCOOH-H"	44.998201
"345778"	1135.921651	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+Hac-H"	59.013851
"1493426"	597.467751	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Hac-H"	59.013851
"958649"	605.434051	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-H+NaCOOH"	66.980151
"113116"	573.423302	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+2Cl"	69.938804
"557050"	842.650252	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+2Cl"	69.938804
"1022570"	304.196352	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2Cl"	69.938804
"1243242"	617.372785	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Br"	78.918885
"1305689"	619.428772	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl+HCOOH"	80.974872
"1320998"	641.410729	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl+NaCOOH"	102.956829
"917523"	651.439486	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M-H+CF3COOH"	112.985586
"1288472"	687.416164	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl+CF3COOH"	148.962264
"1367063"	503.441224	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H-2H2O"	-35.012676
"1388802"	521.4512	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H-H2O"	-17.0027
"283386"	1077.915076	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+H"	1.007276
"676901"	1616.368976	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+H"	1.007276
"1352521"	539.461176	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H"	1.007276
"126989"	539.461176	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+2H"	2.014552
"570799"	808.688126	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+2H"	2.014552
"1037320"	270.234226	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2H"	2.014552
"204467"	359.976542666667	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+3H"	3.021828
"645723"	539.461176	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+3H"	3.021828
"1162910"	180.491909333333	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+3H"	3.021828
"424679"	1094.941623	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+NH4"	18.033823
"789456"	1633.395523	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+NH4"	18.033823
"1684692"	556.487723	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+NH4"	18.033823
"344645"	547.9744495	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+H+NH4"	19.041099
"737556"	817.2013995	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+H+NH4"	19.041099
"1492104"	278.7474995	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H+NH4"	19.041099
"403007"	1099.897018	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+Na"	22.989218
"765095"	1638.350918	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+Na"	22.989218
"1606998"	561.443118	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Na"	22.989218
"320318"	550.452147	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+H+Na"	23.996494
"711646"	819.679097	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+H+Na"	23.996494
"1470934"	281.225197	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H+Na"	23.996494
"1056525"	187.819223333333	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2H+Na"	25.00377
"1263672"	571.487386	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+CH3OH+H"	33.033486
"385530"	1115.870958	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+K"	38.963158
"746525"	1654.324858	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+K"	38.963158
"1549672"	577.417058	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+K"	38.963158
"298597"	558.439117	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+H+K"	39.970434
"691490"	827.666067	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+H+K"	39.970434
"1447624"	289.212167	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H+K"	39.970434
"238777"	1118.941626	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+ACN+H"	42.033826
"1216592"	580.487726	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+ACN+H"	42.033826
"1197559"	290.747501	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+ACN+2H"	43.041102
"195532"	1121.87896	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+2Na-H"	44.97116
"634725"	1660.33286	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+2Na-H"	44.97116
"1137500"	583.42506	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2Na-H"	44.97116
"182978"	561.443118	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+2Na"	45.978436
"623632"	830.670068	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+2Na"	45.978436
"1122398"	292.216168	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2Na"	45.978436
"1403734"	195.146537333333	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H+2Na"	46.985712
"1434392"	585.466646	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H+HCOOH"	47.012746
"229192"	566.47614	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+3H2O+2H"	56.04448
"1512150"	599.51869	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+IsoProp+H"	61.06479
"410134"	569.430088	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+Na+K"	61.952376
"770074"	838.657038	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+Na+K"	61.952376
"1666368"	300.203138	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Na+K"	61.952376
"251710"	1140.923568	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+ACN+Na"	64.015768
"1226208"	602.469668	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+ACN+Na"	64.015768
"1712922"	602.493193	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+NH4+HCOOH"	64.039293
"1181552"	202.473851333333	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+3Na"	68.967654
"1650068"	607.448588	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Na+HCOOH"	68.994688
"162680"	1153.82684	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+2K-H"	76.91904
"597500"	1692.28074	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+2K-H"	76.91904
"1084354"	615.37294	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2K-H"	76.91904
"141432"	577.417058	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"2M+2K"	77.926316
"582887"	846.644008	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"3M+2K"	77.926316
"1073840"	308.190108	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2K"	77.926316
"1100851"	617.387492	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2K+H"	78.933592
"1342339"	617.475107	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+DMSO+H"	79.021207
"1008684"	621.514276	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2ACN+H"	83.060376
"1525714"	622.507908	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+IsoProp+Na+H"	84.054008
"993258"	311.260776	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+2ACN+2H"	84.067652
"1587760"	623.422528	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+K+HCOOH"	84.968628
"1415000"	653.454038	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+H+CF3COOH"	115.000138
"1149179"	331.774051	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+3ACN+2H"	125.094202
"1703107"	670.480585	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+NH4+CF3COOH"	132.026685
"1635477"	675.43598	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+Na+CF3COOH"	136.98208
"1572588"	691.40992	"C05434"	"beta-Zeacarotene"	"C40H58"	"538.4539"	"M+K+CF3COOH"	152.95602
"801861"	536.4382	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M"	0
"981593"	517.41981	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"66554"	356.618190666667	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"510490"	535.430924	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"889388"	177.805457333333	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"12336"	535.430924	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"449712"	803.650024	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"824232"	267.211824	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"87506"	1071.869124	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"531444"	1608.307324	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"907059"	535.430924	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"61801"	1088.895671	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"501489"	1625.333871	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"877702"	552.457471	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"46090"	1093.851066	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"484069"	1630.289266	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"857496"	557.412866	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1620469"	557.412866	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"96268"	553.419263	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"535828"	821.638363	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"927314"	285.200163	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"271911"	1107.845802	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"663973"	1644.284002	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1278200"	571.407602	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"18569"	1109.825006	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"457036"	1646.263206	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"834470"	573.386806	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1557958"	573.386806	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"944745"	581.436394	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"361911"	1117.874601	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"349038"	1131.890251	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1494952"	595.452051	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"959942"	603.418351	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"114318"	571.407602	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"551327"	839.626702	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1025960"	303.188502	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1246632"	615.357085	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1307987"	617.413072	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1324388"	639.395029	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"918726"	649.423786	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1291066"	685.400464	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1368131"	501.425524	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1392192"	519.4355	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"284228"	1073.883676	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"681022"	1610.321876	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1356278"	537.445476	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H"	1.007276
"128073"	537.445476	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"569817"	805.664576	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1037394"	269.226376	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"204808"	358.632742666667	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"648265"	537.445476	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1163227"	179.820009333333	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"424386"	1090.910223	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"790660"	1627.348423	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1683709"	554.472023	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"344753"	545.9587495	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"738029"	814.1778495	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1492577"	277.7396495	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"401295"	1095.865618	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"764477"	1632.303818	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1612576"	559.427418	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"320428"	548.436447	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"716129"	816.655547	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1473231"	280.217347	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1061010"	187.147323333333	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1264876"	569.471686	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"389649"	1111.839558	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"745541"	1648.277758	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1550875"	575.401358	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+K"	38.963158
"298746"	556.423417	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"691410"	824.642517	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1453201"	288.204317	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"239616"	1114.910226	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1214515"	578.472026	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1198398"	289.739651	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"195642"	1117.84756	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"635199"	1654.28576	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1136517"	581.40936	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"177620"	559.427418	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"620096"	827.646518	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1122144"	291.208318	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1402751"	194.474637333333	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1431219"	583.450946	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"227115"	564.46044	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1511896"	597.50299	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"409139"	567.414388	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"770254"	835.633488	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1665736"	299.195288	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"251573"	1136.892168	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1225734"	600.453968	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1712854"	600.477493	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1181662"	201.801951333333	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1655565"	605.432888	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"162061"	1149.79544	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"598096"	1686.23364	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1086862"	613.35724	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"143314"	575.401358	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"586158"	843.620458	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1073950"	307.182258	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1100959"	615.371792	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1339169"	615.459407	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1006728"	619.498576	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1524607"	620.492208	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"990452"	310.252926	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1588234"	621.406828	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1416084"	651.438338	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1148924"	330.766201	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1706497"	668.464885	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1634977"	673.42028	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1572698"	689.39422	"C05435"	"gamma-Carotene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"803065"	384.3392	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M"	0
"981703"	365.32081	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"64478"	255.218857333333	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"508413"	383.331924	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"886219"	127.105790666667	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"6981"	383.331924	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"448729"	575.501524	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"824342"	191.162324	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"86523"	767.671124	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"531553"	1152.010324	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"910207"	383.331924	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"62274"	784.697671	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"502079"	1169.036871	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"877812"	400.358471	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"46647"	789.653066	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"480899"	1173.992266	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"857606"	405.313866	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1619238"	405.313866	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"95280"	401.320263	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"534960"	593.489863	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"927457"	209.150663	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"269834"	803.647802	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"663719"	1187.987002	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1277946"	419.308602	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"18679"	805.627006	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"456782"	1189.966206	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"834579"	421.287806	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1558432"	421.287806	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"945950"	429.337394	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"362345"	813.676601	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"349148"	827.692251	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1497973"	443.353051	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"962240"	451.319351	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"114428"	419.308602	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"552895"	611.478202	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1024975"	227.139002	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1244555"	463.258085	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1307002"	465.314072	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1323405"	487.296029	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"915556"	497.324786	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1290083"	533.301464	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1368242"	349.326524	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1392302"	367.3365	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"284338"	769.685676	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"680039"	1154.024876	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1357482"	385.346476	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H"	1.007276
"129277"	385.346476	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"568105"	577.516076	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1037300"	193.176876	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"204681"	257.233409333333	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"648376"	385.346476	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1162851"	129.120342666667	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"424459"	786.712223	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"788583"	1171.051423	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1687099"	402.373023	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"345187"	393.8597495	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"738379"	586.0293495	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1492076"	201.6901495	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"397025"	791.667618	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"762396"	1176.006818	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1607218"	407.328418	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"322725"	396.337447	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"717333"	588.507047	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1475896"	204.167847	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1061119"	136.447656666667	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1263892"	417.372686	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"387936"	807.641558	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"745651"	1191.980758	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1549892"	423.302358	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K"	38.963158
"302330"	404.324417	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"696210"	596.494017	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1454404"	212.154817	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"240819"	810.712226	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1212801"	426.373026	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1198872"	213.690151	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"193565"	813.64956	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"634581"	1197.98876	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1135533"	429.31036	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"177730"	407.328418	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"617654"	599.498018	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1121524"	215.158818	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1403224"	143.774970666667	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1434246"	431.351946	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"227225"	412.36144	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1514193"	445.40399	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"409258"	415.315388	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"770618"	607.484988	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1666828"	223.145788	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"253466"	832.694168	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1225789"	448.354968	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1714697"	448.378493	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1181772"	151.102284666667	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1655675"	453.333888	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"162171"	845.59744	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"597721"	1229.93664	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1088795"	461.25824	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"141717"	423.302358	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"584081"	615.471958	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1074060"	231.132758	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1100707"	463.272792	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1338186"	463.360407	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1006471"	467.399576	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1525934"	468.393208	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"995665"	234.203426	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1589074"	469.307828	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1414299"	499.339338	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1147330"	254.716701	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1701139"	516.365885	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1635698"	521.32128	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1573172"	537.29522	"C05437"	"Zymosterol;delta824-Cholestadien-3beta-ol;5alpha-Cholesta-824-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"802081"	384.3392	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M"	0
"978533"	365.32081	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"65681"	255.218857333333	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"508523"	383.331924	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"885234"	127.105790666667	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"3809"	383.331924	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"446649"	575.501524	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"824451"	191.162324	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"86630"	767.671124	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"527287"	1152.010324	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"900714"	383.331924	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"57277"	784.697671	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"495744"	1169.036871	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"877920"	400.358471	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"40352"	789.653066	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"481009"	1173.992266	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"857716"	405.313866	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1619957"	405.313866	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"95389"	401.320263	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"535434"	593.489863	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"927611"	209.150663	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"269576"	803.647802	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"665652"	1187.987002	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1274410"	419.308602	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"18424"	805.627006	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"457257"	1189.966206	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"835783"	421.287806	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1557449"	421.287806	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"948246"	429.337394	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"363911"	813.676601	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"348164"	827.692251	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1495897"	443.353051	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"964536"	451.319351	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"113444"	419.308602	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"554098"	611.478202	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1026178"	227.139002	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1246851"	463.258085	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1304923"	465.314072	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1321205"	487.296029	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"913479"	497.324786	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1293473"	533.301464	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1368349"	349.326524	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1392412"	367.3365	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"286635"	769.685676	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"680149"	1154.024876	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1357592"	385.346476	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H"	1.007276
"129387"	385.346476	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"570037"	577.516076	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1038346"	193.176876	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"204363"	257.233409333333	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"648486"	385.346476	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1163083"	129.120342666667	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"424343"	786.712223	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"790880"	1171.051423	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1683929"	402.373023	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"342785"	393.8597495	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"737758"	586.0293495	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1492307"	201.6901495	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"399322"	791.667618	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"759223"	1176.006818	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1608417"	407.328418	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"317366"	396.337447	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"709788"	588.507047	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1471263"	204.167847	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1065239"	136.447656666667	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1267282"	417.372686	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"388046"	807.641558	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"745761"	1191.980758	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1550002"	423.302358	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K"	38.963158
"304992"	404.324417	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"697413"	596.494017	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1456701"	212.154817	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"239836"	810.712226	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1215827"	426.373026	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1204085"	213.690151	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"196956"	813.64956	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"635420"	1197.98876	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1134064"	429.31036	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"176748"	407.328418	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"617401"	599.498018	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1119813"	215.158818	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1402241"	143.774970666667	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1434356"	431.351946	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"227335"	412.36144	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1515395"	445.40399	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"409368"	415.315388	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"770608"	607.484988	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1666089"	223.145788	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"252603"	832.694168	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1226048"	448.354968	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1713958"	448.378493	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1180788"	151.102284666667	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1654693"	453.333888	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"161188"	845.59744	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"597459"	1229.93664	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1087448"	461.25824	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"142553"	423.302358	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"586378"	615.471958	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1069054"	231.132758	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1100570"	463.272792	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1338295"	463.360407	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1007311"	467.399576	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1526045"	468.393208	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"994682"	234.203426	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1589184"	469.307828	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1415328"	499.339338	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1147559"	254.716701	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1700156"	516.365885	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1634714"	521.32128	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1572918"	537.29522	"C05439"	"5alpha-Cholesta-724-dien-3beta-ol"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"802677"	394.3236	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M"	0
"978643"	375.30521	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-H2O-H"	-19.01839
"67978"	261.875124	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M-3H"	-3.021828
"509727"	393.316324	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M-3H"	-3.021828
"886438"	130.433924	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-3H"	-3.021828
"5377"	393.316324	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M-2H"	-2.014552
"445667"	590.478124	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M-2H"	-2.014552
"827841"	196.154524	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-2H"	-2.014552
"83460"	787.639924	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M-H"	-1.007276
"530678"	1181.963524	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M-H"	-1.007276
"901918"	393.316324	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-H"	-1.007276
"56294"	804.666471	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M-2H+NH4"	16.019271
"491479"	1198.990071	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M-2H+NH4"	16.019271
"876937"	410.342871	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-2H+NH4"	16.019271
"40462"	809.621866	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M-2H+Na"	20.974666
"475653"	1203.945466	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M-2H+Na"	20.974666
"852360"	415.298266	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-2H+Na"	20.974666
"1621163"	415.298266	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Na-2H"	20.974666
"94607"	411.304663	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M-H+Cl"	33.962126
"536522"	608.466463	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M-H+Cl"	33.962126
"927846"	214.142863	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-H+Cl"	33.962126
"268713"	823.616602	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+Cl"	34.969402
"666855"	1217.940202	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+Cl"	34.969402
"1276707"	429.293002	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Cl"	34.969402
"17440"	825.595806	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M-2H+K"	36.948606
"460284"	1219.919406	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M-2H+K"	36.948606
"834074"	431.272206	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-2H+K"	36.948606
"1556833"	431.272206	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+K-2H"	36.948606
"943743"	439.321794	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-H+HCOOH"	44.998194
"366578"	833.645401	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+HCOOH-H"	44.998201
"349368"	847.661051	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+Hac-H"	59.013851
"1494916"	453.337451	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Hac-H"	59.013851
"959178"	461.303751	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-H+NaCOOH"	66.980151
"116836"	429.293002	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+2Cl"	69.938804
"554209"	626.454802	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+2Cl"	69.938804
"1026288"	232.131202	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2Cl"	69.938804
"1245868"	473.242485	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Br"	78.918885
"1304670"	475.298472	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Cl+HCOOH"	80.974872
"1320466"	497.280429	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Cl+NaCOOH"	102.956829
"915776"	507.309186	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M-H+CF3COOH"	112.985586
"1293583"	543.285864	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Cl+CF3COOH"	148.962264
"1369920"	359.310924	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H-2H2O"	-35.012676
"1392522"	377.3209	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H-H2O"	-17.0027
"290025"	789.654476	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+H"	1.007276
"678072"	1183.978076	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+H"	1.007276
"1352599"	395.330876	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H"	1.007276
"129497"	395.330876	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+2H"	2.014552
"569418"	592.492676	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+2H"	2.014552
"1038215"	198.169076	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2H"	2.014552
"204898"	263.889676	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+3H"	3.021828
"648597"	395.330876	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+3H"	3.021828
"1164534"	132.448476	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+3H"	3.021828
"425621"	806.681023	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+NH4"	18.033823
"789896"	1201.004623	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+NH4"	18.033823
"1681364"	412.357423	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+NH4"	18.033823
"342165"	403.8441495	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+H+NH4"	19.041099
"735680"	601.0059495	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+H+NH4"	19.041099
"1489501"	206.6823495	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H+NH4"	19.041099
"399432"	811.636418	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+Na"	22.989218
"759333"	1205.960018	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+Na"	22.989218
"1609621"	417.312818	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Na"	22.989218
"317477"	406.321847	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+H+Na"	23.996494
"713180"	603.483647	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+H+Na"	23.996494
"1472103"	209.160047	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H+Na"	23.996494
"1065713"	139.77579	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2H+Na"	25.00377
"1265206"	427.357086	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+CH3OH+H"	33.033486
"388155"	827.610358	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+K"	38.963158
"748057"	1221.933958	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+K"	38.963158
"1545734"	433.286758	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+K"	38.963158
"304371"	414.308817	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+H+K"	39.970434
"694970"	611.470617	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+H+K"	39.970434
"1447698"	217.147017	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H+K"	39.970434
"238122"	830.681026	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+ACN+H"	42.033826
"1215937"	436.357426	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+ACN+H"	42.033826
"1200913"	218.682351	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+ACN+2H"	43.041102
"197065"	833.61836	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+2Na-H"	44.97116
"632614"	1227.94196	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+2Na-H"	44.97116
"1137943"	439.29476	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2Na-H"	44.97116
"176492"	417.312818	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+2Na"	45.978436
"618237"	614.474618	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+2Na"	45.978436
"1123204"	220.151018	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2Na"	45.978436
"1402716"	147.103104	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H+2Na"	46.985712
"1431918"	441.336346	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H+HCOOH"	47.012746
"221977"	422.34584	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+3H2O+2H"	56.04448
"1510037"	455.38839	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+IsoProp+H"	61.06479
"410818"	425.299788	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+Na+K"	61.952376
"771446"	622.461588	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+Na+K"	61.952376
"1666683"	228.137988	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Na+K"	61.952376
"252839"	852.662968	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+ACN+Na"	64.015768
"1230662"	458.339368	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+ACN+Na"	64.015768
"1714199"	458.362893	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+NH4+HCOOH"	64.039293
"1179436"	154.430418	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+3Na"	68.967654
"1651517"	463.318288	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Na+HCOOH"	68.994688
"158259"	865.56624	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+2K-H"	76.91904
"598184"	1259.88984	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+2K-H"	76.91904
"1086220"	471.24264	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2K-H"	76.91904
"148021"	433.286758	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"2M+2K"	77.926316
"583449"	630.448558	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"3M+2K"	77.926316
"1074282"	236.124958	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2K"	77.926316
"1109676"	473.257192	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2K+H"	78.933592
"1339500"	473.344807	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+DMSO+H"	79.021207
"1009125"	477.383976	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2ACN+H"	83.060376
"1531625"	478.377608	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+IsoProp+Na+H"	84.054008
"995886"	239.195626	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+2ACN+2H"	84.067652
"1591481"	479.292228	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+K+HCOOH"	84.968628
"1416415"	509.323738	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+H+CF3COOH"	115.000138
"1147429"	259.708901	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+3ACN+2H"	125.094202
"1709015"	526.350285	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+NH4+CF3COOH"	132.026685
"1634458"	531.30568	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+Na+CF3COOH"	136.98208
"1573027"	547.27962	"C05440"	"Ergosta-572224(28)-tetraen-3beta-ol;Ergosta-572224(24(1))-tetraen-3beta-ol;572224(28)-Ergostatetraenol"	"C28H42O"	"394.3236"	"M+K+CF3COOH"	152.95602
"801938"	396.3392	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M"	0
"978753"	377.32081	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-H2O-H"	-19.01839
"68088"	263.218857333333	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M-3H"	-3.021828
"512025"	395.331924	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M-3H"	-3.021828
"888736"	131.105790666667	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-3H"	-3.021828
"9496"	395.331924	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M-2H"	-2.014552
"446872"	593.501524	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M-2H"	-2.014552
"823577"	197.162324	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-2H"	-2.014552
"83570"	791.671124	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M-H"	-1.007276
"525319"	1188.010324	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M-H"	-1.007276
"902028"	395.331924	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-H"	-1.007276
"55311"	808.697671	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M-2H+NH4"	16.019271
"492684"	1205.036871	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M-2H+NH4"	16.019271
"878140"	412.358471	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-2H+NH4"	16.019271
"39479"	813.653066	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M-2H+Na"	20.974666
"475763"	1209.992266	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M-2H+Na"	20.974666
"853564"	417.313866	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-2H+Na"	20.974666
"1619816"	417.313866	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Na-2H"	20.974666
"98532"	413.320263	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M-H+Cl"	33.962126
"535905"	611.489863	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M-H+Cl"	33.962126
"927466"	215.150663	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-H+Cl"	33.962126
"267728"	827.647802	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+Cl"	34.969402
"662591"	1223.987002	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+Cl"	34.969402
"1277182"	431.308602	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Cl"	34.969402
"16822"	829.627006	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M-2H+K"	36.948606
"457478"	1225.966206	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M-2H+K"	36.948606
"832991"	433.287806	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-2H+K"	36.948606
"1555758"	433.287806	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+K-2H"	36.948606
"942847"	441.337394	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-H+HCOOH"	44.998194
"363408"	837.676601	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+HCOOH-H"	44.998201
"348384"	851.692251	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+Hac-H"	59.013851
"1495026"	455.353051	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Hac-H"	59.013851
"958762"	463.319351	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-H+NaCOOH"	66.980151
"115852"	431.308602	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+2Cl"	69.938804
"554319"	629.478202	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+2Cl"	69.938804
"1023118"	233.139002	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2Cl"	69.938804
"1245978"	475.258085	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Br"	78.918885
"1305507"	477.314072	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Cl+HCOOH"	80.974872
"1321548"	499.296029	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Cl+NaCOOH"	102.956829
"919166"	509.324786	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M-H+CF3COOH"	112.985586
"1293692"	545.301464	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Cl+CF3COOH"	148.962264
"1369667"	361.326524	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H-2H2O"	-35.012676
"1384247"	379.3365	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H-H2O"	-17.0027
"286851"	793.685676	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+H"	1.007276
"676471"	1190.024876	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+H"	1.007276
"1354525"	397.346476	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H"	1.007276
"126320"	397.346476	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+2H"	2.014552
"568069"	595.516076	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+2H"	2.014552
"1037713"	199.176876	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2H"	2.014552
"204881"	265.233409333333	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+3H"	3.021828
"650894"	397.346476	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+3H"	3.021828
"1163914"	133.120342666667	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+3H"	3.021828
"427186"	810.712223	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+NH4"	18.033823
"787454"	1207.051423	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+NH4"	18.033823
"1681351"	414.373023	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+NH4"	18.033823
"335714"	405.8597495	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+H+NH4"	19.041099
"734697"	604.0293495	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+H+NH4"	19.041099
"1487424"	207.6901495	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H+NH4"	19.041099
"397355"	815.667618	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+Na"	22.989218
"759444"	1212.006818	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+Na"	22.989218
"1606452"	419.328418	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Na"	22.989218
"314502"	408.337447	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+H+Na"	23.996494
"707576"	606.507047	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+H+Na"	23.996494
"1464922"	210.167847	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H+Na"	23.996494
"1066554"	140.447656666667	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2H+Na"	25.00377
"1270059"	429.372686	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+CH3OH+H"	33.033486
"388994"	831.641558	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+K"	38.963158
"744887"	1227.980758	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+K"	38.963158
"1546937"	435.302358	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+K"	38.963158
"301565"	416.324417	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+H+K"	39.970434
"691508"	614.494017	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+H+K"	39.970434
"1448537"	218.154817	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H+K"	39.970434
"237140"	834.712226	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+ACN+H"	42.033826
"1216046"	438.373026	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+ACN+H"	42.033826
"1202117"	219.690151	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+ACN+2H"	43.041102
"197176"	837.64956	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+2Na-H"	44.97116
"632360"	1233.98876	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+2Na-H"	44.97116
"1132949"	441.31036	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2Na-H"	44.97116
"180250"	419.328418	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+2Na"	45.978436
"620902"	617.498018	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+2Na"	45.978436
"1125501"	221.158818	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2Na"	45.978436
"1406838"	147.774970666667	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H+2Na"	46.985712
"1430933"	443.351946	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H+HCOOH"	47.012746
"220629"	424.36144	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+3H2O+2H"	56.04448
"1509056"	457.40399	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+IsoProp+H"	61.06479
"410202"	427.315388	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+Na+K"	61.952376
"771924"	625.484988	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+Na+K"	61.952376
"1666798"	229.145788	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Na+K"	61.952376
"252222"	856.694168	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+ACN+Na"	64.015768
"1231866"	460.354968	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+ACN+Na"	64.015768
"1719660"	460.378493	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+NH4+HCOOH"	64.039293
"1180278"	155.102284666667	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+3Na"	68.967654
"1650655"	465.333888	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Na+HCOOH"	68.994688
"157998"	869.59744	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+2K-H"	76.91904
"597354"	1265.93664	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+2K-H"	76.91904
"1084381"	473.25824	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2K-H"	76.91904
"147037"	435.302358	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"2M+2K"	77.926316
"583559"	633.471958	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"3M+2K"	77.926316
"1073298"	237.132758	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2K"	77.926316
"1103226"	475.272792	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2K+H"	78.933592
"1337179"	475.360407	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+DMSO+H"	79.021207
"1006681"	479.399576	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2ACN+H"	83.060376
"1528454"	480.393208	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+IsoProp+Na+H"	84.054008
"998182"	240.203426	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+2ACN+2H"	84.067652
"1593778"	481.307828	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+K+HCOOH"	84.968628
"1419441"	511.339338	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+H+CF3COOH"	115.000138
"1150825"	260.716701	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+3ACN+2H"	125.094202
"1705844"	528.365885	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+NH4+CF3COOH"	132.026685
"1634931"	533.32128	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+Na+CF3COOH"	136.98208
"1572771"	549.29522	"C05441"	"Vitamin D2;Ergocalciferol"	"C28H44O"	"396.3392"	"M+K+CF3COOH"	152.95602
"802412"	412.3705	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M"	0
"982143"	393.35211	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"66375"	273.906390666667	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"513228"	411.363224	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"889940"	136.449557333333	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"12889"	411.363224	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"449169"	617.548474	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"822596"	205.177974	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"85868"	823.733724	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"527617"	1236.104224	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"906513"	411.363224	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"59795"	840.760271	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"497168"	1253.130771	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"877645"	428.389771	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"41776"	845.715666	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"478055"	1258.086166	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"861327"	433.345166	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1624300"	433.345166	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"97913"	429.351563	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"539295"	635.536813	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"930255"	223.166313	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"269177"	859.710402	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"662701"	1272.080902	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1277292"	447.339902	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"16932"	861.689606	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"460506"	1274.060106	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"835026"	449.319106	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1561796"	449.319106	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"944210"	457.368694	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"368986"	869.739201	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"347403"	883.754851	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1502794"	471.384351	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"965963"	479.350651	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"117057"	447.339902	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"559897"	653.525152	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1027604"	241.154652	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1249370"	491.289385	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1310722"	493.345372	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1324938"	515.327329	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"919275"	525.356086	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1297082"	561.332764	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1374150"	377.357824	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1389460"	395.3678	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"288054"	825.748276	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"677557"	1238.118776	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1355728"	413.377776	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"128981"	413.377776	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"568544"	619.563026	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1038799"	207.192526	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"207063"	275.920942666667	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"647727"	413.377776	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1167307"	138.464109333333	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"430214"	842.774823	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"790115"	1255.145323	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1683528"	430.404323	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"336917"	421.8910495	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"735901"	628.0762995	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1487535"	215.7057995	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"396735"	847.730218	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"759554"	1260.100718	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1608749"	435.359718	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"316967"	424.368747	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"714494"	630.553997	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1467219"	218.183497	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1064478"	145.791423333333	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1266523"	445.403986	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"385096"	863.704158	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"747186"	1276.074658	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1548143"	451.333658	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"306050"	432.355717	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"701024"	638.540967	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1454844"	226.170467	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"239072"	866.774826	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1218343"	454.404326	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1201132"	227.705801	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"200201"	869.71216	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"640854"	1282.08266	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1137070"	457.34166	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"177080"	435.359718	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"617734"	641.544968	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1122333"	229.174468	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1400752"	153.118737333333	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1431044"	459.383246	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"222564"	440.39274	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1512448"	473.43529	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"413228"	443.346688	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"776411"	649.531938	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1668003"	237.161438	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"254522"	888.756768	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1229790"	476.386268	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1720866"	476.409793	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1180387"	160.446051333333	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1651735"	481.365188	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"160056"	901.66004	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"597589"	1314.03054	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1084447"	489.28954	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"142158"	451.333658	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"581594"	657.518908	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1068735"	245.148408	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1102243"	491.304092	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1336069"	491.391707	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1007157"	495.430876	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1525283"	496.424508	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"995013"	248.219076	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1587564"	497.339128	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1416271"	527.370638	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1149111"	268.732351	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1705954"	544.397185	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1636140"	549.35258	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1571786"	565.32652	"C05442"	"Stigmasterol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"808720"	384.3392	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M"	0
"983348"	365.32081	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"73777"	255.218857333333	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"513338"	383.331924	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"890050"	127.105790666667	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"8625"	383.331924	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"449279"	575.501524	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"824892"	191.162324	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"89259"	767.671124	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"527724"	1152.010324	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"906623"	383.331924	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"56624"	784.697671	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"495088"	1169.036871	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"869246"	400.358471	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"42980"	789.653066	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"482542"	1173.992266	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"860345"	405.313866	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1624410"	405.313866	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"104220"	401.320263	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"536851"	593.489863	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"929272"	209.150663	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"271480"	803.647802	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"667182"	1187.987002	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1275940"	419.308602	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"17772"	805.627006	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"457456"	1189.966206	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"837323"	421.287806	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1561906"	421.287806	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"953068"	429.337394	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"370191"	813.676601	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"349701"	827.692251	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1502905"	443.353051	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"966073"	451.319351	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"119354"	419.308602	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"562560"	611.478202	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1029900"	227.139002	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1252761"	463.258085	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1307552"	465.314072	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1328328"	487.296029	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"913553"	497.324786	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1295005"	533.301464	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1373167"	349.326524	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1389569"	367.3365	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"288165"	769.685676	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"678761"	1154.024876	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1356936"	385.346476	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H"	1.007276
"134197"	385.346476	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"574850"	577.516076	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1040366"	193.176876	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"208267"	257.233409333333	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"647835"	385.346476	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1169240"	129.120342666667	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"430325"	786.712223	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"793505"	1171.051423	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1684733"	402.373023	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"337027"	393.8597495	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"733824"	586.0293495	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1487645"	201.6901495	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"400857"	791.667618	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"759667"	1176.006818	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1607030"	407.328418	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"316704"	396.337447	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"711319"	588.507047	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1468422"	204.167847	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1062765"	136.447656666667	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1265538"	417.372686	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"386298"	807.641558	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"748388"	1191.980758	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1548252"	423.302358	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+K"	38.963158
"299964"	404.324417	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"694573"	596.494017	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1452768"	212.154817	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"237724"	810.712226	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1215174"	426.373026	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1203432"	213.690151	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"197397"	813.64956	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"638051"	1197.98876	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1141554"	429.31036	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"177190"	407.328418	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"618937"	599.498018	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1122443"	215.158818	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1403780"	143.774970666667	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1434800"	431.351946	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"225591"	412.36144	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1515839"	445.40399	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"414432"	415.315388	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"774335"	607.484988	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1667386"	223.145788	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"255361"	832.694168	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1226979"	448.354968	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1717697"	448.378493	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1179400"	151.102284666667	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1652576"	453.333888	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"163085"	845.59744	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"597781"	1229.93664	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1085215"	461.25824	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"141738"	423.302358	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"581952"	615.471958	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1073517"	231.132758	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1103446"	463.272792	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1339831"	463.360407	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1011642"	467.399576	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1529771"	468.393208	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"995124"	234.203426	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1590722"	469.307828	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1420756"	499.339338	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1155417"	254.716701	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1700598"	516.365885	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1634666"	521.32128	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1571572"	537.29522	"C05443"	"Vitamin D3;Cholecalciferol;Calciol"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"815393"	420.3603	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M"	0
"985646"	401.34191	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-H2O-H"	-19.01839
"73887"	279.232924	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M-3H"	-3.021828
"516730"	419.353024	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M-3H"	-3.021828
"891253"	139.112824	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-3H"	-3.021828
"10923"	419.353024	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M-2H"	-2.014552
"447201"	629.533174	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M-2H"	-2.014552
"823911"	209.172874	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-2H"	-2.014552
"88276"	839.713324	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M-H"	-1.007276
"527835"	1260.073624	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M-H"	-1.007276
"901264"	419.353024	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-H"	-1.007276
"52359"	856.739871	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M-2H+NH4"	16.019271
"493012"	1277.100171	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M-2H+NH4"	16.019271
"868629"	436.379571	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-2H+NH4"	16.019271
"43090"	861.695266	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M-2H+Na"	20.974666
"485205"	1282.055566	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M-2H+Na"	20.974666
"861184"	441.334966	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-2H+Na"	20.974666
"1630717"	441.334966	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Na-2H"	20.974666
"104330"	437.341363	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M-H+Cl"	33.962126
"538785"	647.521513	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M-H+Cl"	33.962126
"930837"	227.161213	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-H+Cl"	33.962126
"272682"	875.690002	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+Cl"	34.969402
"668386"	1296.050302	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+Cl"	34.969402
"1276416"	455.329702	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Cl"	34.969402
"20069"	877.669206	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M-2H+K"	36.948606
"459632"	1298.029506	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M-2H+K"	36.948606
"838527"	457.308906	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-2H+K"	36.948606
"1565296"	457.308906	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+K-2H"	36.948606
"953178"	465.358494	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-H+HCOOH"	44.998194
"374675"	885.718801	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+HCOOH-H"	44.998201
"358194"	899.734451	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+Hac-H"	59.013851
"1500827"	479.374151	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Hac-H"	59.013851
"965089"	487.340451	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-H+NaCOOH"	66.980151
"119464"	455.329702	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+2Cl"	69.938804
"563034"	665.509852	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+2Cl"	69.938804
"1030012"	245.149552	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2Cl"	69.938804
"1252871"	499.279185	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Br"	78.918885
"1313131"	501.335172	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Cl+HCOOH"	80.974872
"1324065"	523.317129	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Cl+NaCOOH"	102.956829
"911840"	533.345886	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M-H+CF3COOH"	112.985586
"1295115"	569.322564	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Cl+CF3COOH"	148.962264
"1373277"	385.347624	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H-2H2O"	-35.012676
"1390774"	403.3576	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H-H2O"	-17.0027
"290462"	841.727876	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+H"	1.007276
"678507"	1262.088176	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+H"	1.007276
"1361419"	421.367576	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H"	1.007276
"135401"	421.367576	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+2H"	2.014552
"570222"	631.547726	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+2H"	2.014552
"1041571"	211.187426	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2H"	2.014552
"209470"	281.247476	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+3H"	3.021828
"650134"	421.367576	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+3H"	3.021828
"1169352"	141.127376	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+3H"	3.021828
"431529"	858.754423	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+NH4"	18.033823
"790701"	1279.114723	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+NH4"	18.033823
"1684844"	438.394123	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+NH4"	18.033823
"340418"	429.8808495	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+H+NH4"	19.041099
"732477"	640.0609995	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+H+NH4"	19.041099
"1490307"	219.7006995	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H+NH4"	19.041099
"402060"	863.709818	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+Na"	22.989218
"763056"	1284.070118	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+Na"	22.989218
"1606777"	443.349518	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Na"	22.989218
"316815"	432.358547	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+H+Na"	23.996494
"714709"	642.538697	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+H+Na"	23.996494
"1469626"	222.178397	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H+Na"	23.996494
"1061779"	148.45469	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2H+Na"	25.00377
"1265648"	453.393786	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+CH3OH+H"	33.033486
"388594"	879.683758	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+K"	38.963158
"748497"	1300.044058	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+K"	38.963158
"1550549"	459.323458	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+K"	38.963158
"307725"	440.345517	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+H+K"	39.970434
"697964"	650.525667	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+H+K"	39.970434
"1455066"	230.165367	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H+K"	39.970434
"243667"	882.754426	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+ACN+H"	42.033826
"1219656"	462.394126	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+ACN+H"	42.033826
"1207915"	231.700701	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+ACN+2H"	43.041102
"195318"	885.69176	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+2Na-H"	44.97116
"638158"	1306.05206	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+2Na-H"	44.97116
"1144580"	465.33146	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2Na-H"	44.97116
"177297"	443.349518	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+2Na"	45.978436
"621234"	653.529668	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+2Na"	45.978436
"1126926"	233.169368	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2Na"	45.978436
"1404983"	155.782004	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H+2Na"	46.985712
"1439286"	467.373046	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H+HCOOH"	47.012746
"222783"	448.38254	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+3H2O+2H"	56.04448
"1514856"	481.42509	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+IsoProp+H"	61.06479
"413448"	451.336488	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+Na+K"	61.952376
"775538"	661.516638	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+Na+K"	61.952376
"1668224"	241.156338	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Na+K"	61.952376
"252919"	904.736368	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+ACN+Na"	64.015768
"1225997"	484.376068	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+ACN+Na"	64.015768
"1718900"	484.399593	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+NH4+HCOOH"	64.039293
"1183523"	163.109318	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+3Na"	68.967654
"1653414"	489.354988	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Na+HCOOH"	68.994688
"163195"	917.63964	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+2K-H"	76.91904
"601664"	1337.99994	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+2K-H"	76.91904
"1086298"	497.27934	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2K-H"	76.91904
"142015"	459.323458	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"2M+2K"	77.926316
"585834"	669.503608	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"3M+2K"	77.926316
"1072534"	249.143308	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2K"	77.926316
"1109025"	499.293892	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2K+H"	78.933592
"1345410"	499.381507	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+DMSO+H"	79.021207
"1017220"	503.420676	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2ACN+H"	83.060376
"1534254"	504.414308	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+IsoProp+Na+H"	84.054008
"997421"	252.213976	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+2ACN+2H"	84.067652
"1597395"	505.328928	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+K+HCOOH"	84.968628
"1425970"	535.360438	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+H+CF3COOH"	115.000138
"1155527"	272.727251	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+3ACN+2H"	125.094202
"1709455"	552.386985	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+NH4+CF3COOH"	132.026685
"1635266"	557.34238	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+Na+CF3COOH"	136.98208
"1575289"	573.31632	"C05444"	"3alpha7alpha26-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha26-triol"	"C27H48O3"	"420.3603"	"M+K+CF3COOH"	152.95602
"815505"	418.3447	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M"	0
"985756"	399.32631	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"75822"	277.889190666667	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"515747"	417.337424	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"888082"	138.440957333333	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"4471"	417.337424	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"448403"	626.509774	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"825114"	208.165074	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"89479"	835.682124	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"531225"	1254.026824	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"906838"	417.337424	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"57933"	852.708671	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"492028"	1271.053371	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"869830"	434.363971	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"38826"	857.664066	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"486044"	1276.008766	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"859471"	439.319366	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1631191"	439.319366	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"106627"	435.325763	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"541811"	644.498113	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"930949"	226.153413	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"270606"	871.658802	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"670683"	1290.003502	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1285274"	453.314102	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"24549"	873.638006	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"465208"	1291.982706	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"841918"	455.293306	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1565406"	455.293306	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"953288"	463.342894	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"372597"	881.687601	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"359397"	895.703251	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1500937"	477.358551	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"965199"	485.324851	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"119574"	453.314102	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"563508"	662.486452	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1033402"	244.141752	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1256140"	497.263585	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1312147"	499.319572	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1326362"	521.301529	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"911666"	531.330286	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1294132"	567.306964	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1373387"	383.332024	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1389790"	401.342	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"291666"	837.696676	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"677524"	1256.041376	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1362623"	419.351976	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"134418"	419.351976	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"571791"	628.524326	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1042774"	210.179626	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"210673"	279.903742666667	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"652431"	419.351976	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1172742"	140.455509333333	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"433826"	854.723223	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"792633"	1273.067923	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1686776"	436.378523	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"338338"	427.8652495	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"727847"	637.0375995	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1489688"	218.6928995	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"396702"	859.678618	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"760980"	1278.023318	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1606887"	441.333918	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"315832"	430.342947	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"717006"	639.515297	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1469736"	221.170597	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1060796"	147.782823333333	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1265758"	451.378186	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"387611"	875.652558	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"748608"	1293.997258	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1550659"	457.307858	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"306742"	438.329917	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"701356"	647.502267	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1455176"	229.157567	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"243777"	878.723226	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1220860"	460.378526	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1205837"	230.692901	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"198708"	881.66056	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"634987"	1300.00526	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1139586"	463.31586	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"180690"	441.333918	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"621343"	650.506268	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1125942"	232.161568	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1406186"	155.110137333333	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1432834"	465.357446	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"223624"	446.36694	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1513869"	479.40949	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"410278"	449.320888	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"773461"	658.493238	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1666511"	240.148538	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"252177"	900.705168	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1227922"	482.360468	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1717912"	482.383993	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1185456"	162.437451333333	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1653160"	487.339388	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"162212"	913.60844	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"603961"	1331.95314	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1086287"	495.26374	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"144196"	457.307858	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"585944"	666.480208	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1075925"	248.135508	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1111321"	497.278292	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1346614"	497.365907	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1010769"	501.405076	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1538618"	502.398708	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"1000810"	251.206176	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1597502"	503.313328	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1420975"	533.344838	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1155637"	271.719451	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1708471"	550.371385	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1638656"	555.32678	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1575399"	571.30072	"C05445"	"3alpha7alpha-Dihydroxy-5beta-cholestan-26-al"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"815612"	436.3553	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M"	0
"985865"	417.33691	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-H2O-H"	-19.01839
"74109"	289.896257333333	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M-3H"	-3.021828
"512578"	435.348024	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M-3H"	-3.021828
"888192"	144.444490666667	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-3H"	-3.021828
"3488"	435.348024	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M-2H"	-2.014552
"446326"	653.525674	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M-2H"	-2.014552
"825223"	217.170374	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-2H"	-2.014552
"87402"	871.703324	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M-H"	-1.007276
"529148"	1308.058624	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M-H"	-1.007276
"905855"	435.348024	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-H"	-1.007276
"56950"	888.729871	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M-2H+NH4"	16.019271
"489952"	1325.085171	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M-2H+NH4"	16.019271
"869575"	452.374571	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-2H+NH4"	16.019271
"36018"	893.685266	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M-2H+Na"	20.974666
"485062"	1330.040566	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M-2H+Na"	20.974666
"860674"	457.329966	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-2H+Na"	20.974666
"1629114"	457.329966	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Na-2H"	20.974666
"104550"	453.336363	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M-H+Cl"	33.962126
"539369"	671.514013	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M-H+Cl"	33.962126
"928872"	235.158713	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-H+Cl"	33.962126
"271809"	907.680002	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+Cl"	34.969402
"664232"	1344.035302	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+Cl"	34.969402
"1282104"	471.324702	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Cl"	34.969402
"21378"	909.659206	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M-2H+K"	36.948606
"457663"	1346.014506	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M-2H+K"	36.948606
"840934"	473.303906	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-2H+K"	36.948606
"1558956"	473.303906	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+K-2H"	36.948606
"946837"	481.353494	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-H+HCOOH"	44.998194
"366146"	917.708801	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+HCOOH-H"	44.998201
"354403"	931.724451	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+Hac-H"	59.013851
"1498860"	495.369151	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Hac-H"	59.013851
"965309"	503.335451	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-H+NaCOOH"	66.980151
"120777"	471.324702	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+2Cl"	69.938804
"564711"	689.502352	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+2Cl"	69.938804
"1031325"	253.147052	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2Cl"	69.938804
"1250903"	515.274185	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Br"	78.918885
"1311163"	517.330172	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Cl+HCOOH"	80.974872
"1324285"	539.312129	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Cl+NaCOOH"	102.956829
"911492"	549.340886	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M-H+CF3COOH"	112.985586
"1289138"	585.317564	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Cl+CF3COOH"	148.962264
"1371310"	401.342624	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H-2H2O"	-35.012676
"1387713"	419.3526	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H-H2O"	-17.0027
"292869"	873.717876	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+H"	1.007276
"680914"	1310.073176	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+H"	1.007276
"1362733"	437.362576	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H"	1.007276
"135621"	437.362576	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+2H"	2.014552
"571901"	655.540226	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+2H"	2.014552
"1041792"	219.184926	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2H"	2.014552
"209690"	291.910809333333	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+3H"	3.021828
"650355"	437.362576	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+3H"	3.021828
"1171759"	146.459042666667	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+3H"	3.021828
"432842"	890.744423	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+NH4"	18.033823
"794930"	1327.099723	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+NH4"	18.033823
"1686886"	454.389123	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+NH4"	18.033823
"339541"	445.8758495	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+H+NH4"	19.041099
"730873"	664.0534995	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+H+NH4"	19.041099
"1484694"	227.6981995	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H+NH4"	19.041099
"398266"	895.699818	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+Na"	22.989218
"759996"	1332.055118	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+Na"	22.989218
"1605538"	459.344518	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Na"	22.989218
"318128"	448.353547	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+H+Na"	23.996494
"716023"	666.531197	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+H+Na"	23.996494
"1468753"	230.175897	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H+Na"	23.996494
"1063093"	153.786356666667	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2H+Na"	25.00377
"1264775"	469.388786	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+CH3OH+H"	33.033486
"385535"	911.673758	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+K"	38.963158
"749811"	1348.029058	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+K"	38.963158
"1550769"	475.318458	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+K"	38.963158
"307945"	456.340517	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+H+K"	39.970434
"701466"	674.518167	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+H+K"	39.970434
"1455286"	238.162867	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H+K"	39.970434
"242794"	914.744426	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+ACN+H"	42.033826
"1220970"	478.389126	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+ACN+H"	42.033826
"1203761"	239.698201	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+ACN+2H"	43.041102
"201005"	917.68176	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+2Na-H"	44.97116
"636191"	1354.03706	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+2Na-H"	44.97116
"1139696"	481.32646	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2Na-H"	44.97116
"179707"	459.344518	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+2Na"	45.978436
"618537"	677.522168	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+2Na"	45.978436
"1122772"	241.166868	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2Na"	45.978436
"1404109"	161.113670666667	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H+2Na"	46.985712
"1434401"	483.368046	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H+HCOOH"	47.012746
"223005"	464.37754	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+3H2O+2H"	56.04448
"1512157"	497.42009	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+IsoProp+H"	61.06479
"411845"	467.331488	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+Na+K"	61.952376
"773206"	685.509138	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+Na+K"	61.952376
"1665770"	249.153838	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Na+K"	61.952376
"252046"	936.726368	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+ACN+Na"	64.015768
"1227304"	500.371068	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+ACN+Na"	64.015768
"1714731"	500.394593	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+NH4+HCOOH"	64.039293
"1183742"	168.440984666667	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+3Na"	68.967654
"1652176"	505.349988	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Na+HCOOH"	68.994688
"162322"	949.62964	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+2K-H"	76.91904
"600057"	1385.98494	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+2K-H"	76.91904
"1086397"	513.27434	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2K-H"	76.91904
"143213"	475.318458	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"2M+2K"	77.926316
"582773"	693.496108	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"3M+2K"	77.926316
"1070931"	257.140808	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2K"	77.926316
"1110338"	515.288892	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2K+H"	78.933592
"1346724"	515.376507	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+DMSO+H"	79.021207
"1011972"	519.415676	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2ACN+H"	83.060376
"1537389"	520.409308	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+IsoProp+Na+H"	84.054008
"1000920"	260.211476	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+2ACN+2H"	84.067652
"1597612"	521.323928	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+K+HCOOH"	84.968628
"1422178"	551.355438	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+H+CF3COOH"	115.000138
"1150279"	280.724751	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+3ACN+2H"	125.094202
"1705301"	568.381985	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+NH4+CF3COOH"	132.026685
"1635486"	573.33738	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+Na+CF3COOH"	136.98208
"1573322"	589.31132	"C05446"	"3alpha7alpha12alpha26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha26-tetraol;5beta-Cholestane-3alpha7alpha12alpha26-tetrol"	"C27H48O4"	"436.3553"	"M+K+CF3COOH"	152.95602
"816700"	1181.4286	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M"	0
"987074"	1162.41021	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-H2O-H"	-19.01839
"74222"	786.611790666667	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M-3H"	-3.021828
"513781"	1180.421324	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M-3H"	-3.021828
"891584"	392.802257333333	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-3H"	-3.021828
"10159"	1180.421324	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M-2H"	-2.014552
"450811"	1771.135624	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M-2H"	-2.014552
"827521"	589.707024	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-2H"	-2.014552
"92617"	2361.849924	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M-H"	-1.007276
"531447"	3543.278524	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M-H"	-1.007276
"908156"	1180.421324	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-H"	-1.007276
"61439"	2378.876471	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M-2H+NH4"	16.019271
"493343"	3560.305071	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M-2H+NH4"	16.019271
"876612"	1197.447871	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-2H+NH4"	16.019271
"41233"	2383.831866	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M-2H+Na"	20.974666
"485296"	3565.260466	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M-2H+Na"	20.974666
"860421"	1202.403266	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-2H+Na"	20.974666
"1629224"	1202.403266	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Na-2H"	20.974666
"101380"	1198.409663	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M-H+Cl"	33.962126
"538751"	1789.123963	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M-H+Cl"	33.962126
"930077"	607.695363	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-H+Cl"	33.962126
"273012"	2397.826602	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+Cl"	34.969402
"665435"	3579.255202	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+Cl"	34.969402
"1282213"	1216.398002	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Cl"	34.969402
"19301"	2399.805806	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M-2H+K"	36.948606
"456681"	3581.234406	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M-2H+K"	36.948606
"838856"	1218.377206	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-2H+K"	36.948606
"1562345"	1218.377206	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+K-2H"	36.948606
"949135"	1226.426794	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-H+HCOOH"	44.998194
"367350"	2407.855401	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+HCOOH-H"	44.998201
"354514"	2421.871051	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+Hac-H"	59.013851
"1500065"	1240.442451	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Hac-H"	59.013851
"968701"	1248.408751	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-H+NaCOOH"	66.980151
"123074"	1216.398002	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+2Cl"	69.938804
"563727"	1807.112302	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+2Cl"	69.938804
"1035808"	625.683702	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2Cl"	69.938804
"1252106"	1260.347485	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Br"	78.918885
"1309085"	1262.403472	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Cl+HCOOH"	80.974872
"1324395"	1284.385429	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Cl+NaCOOH"	102.956829
"913265"	1294.414186	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M-H+CF3COOH"	112.985586
"1288884"	1330.390864	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Cl+CF3COOH"	148.962264
"1369233"	1146.415924	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H-2H2O"	-35.012676
"1385636"	1164.4259	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H-H2O"	-17.0027
"291885"	2363.864476	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+H"	1.007276
"685399"	3545.293076	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+H"	1.007276
"1363937"	1182.435876	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H"	1.007276
"137919"	1182.435876	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+2H"	2.014552
"574198"	1773.150176	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+2H"	2.014552
"1044088"	591.721576	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2H"	2.014552
"214177"	788.626342666667	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+3H"	3.021828
"652284"	1182.435876	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+3H"	3.021828
"1174055"	394.816809333333	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+3H"	3.021828
"435137"	2380.891023	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+NH4"	18.033823
"793946"	3562.319623	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+NH4"	18.033823
"1689182"	1199.462423	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+NH4"	18.033823
"338556"	1190.9491495	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+H+NH4"	19.041099
"730980"	1781.6634495	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+H+NH4"	19.041099
"1482614"	600.2348495	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H+NH4"	19.041099
"395459"	2385.846418	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+Na"	22.989218
"756826"	3567.275018	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+Na"	22.989218
"1606014"	1204.417818	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Na"	22.989218
"317507"	1193.426847	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+H+Na"	23.996494
"713945"	1784.141147	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+H+Na"	23.996494
"1468863"	602.712547	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H+Na"	23.996494
"1062109"	402.144123333333	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2H+Na"	25.00377
"1265978"	1214.462086	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+CH3OH+H"	33.033486
"384552"	2401.820358	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+K"	38.963158
"749557"	3583.248958	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+K"	38.963158
"1550879"	1220.391758	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+K"	38.963158
"309877"	1201.413817	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+H+K"	39.970434
"698297"	1792.128117	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+H+K"	39.970434
"1456126"	610.699517	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H+K"	39.970434
"246184"	2404.891026	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+ACN+H"	42.033826
"1218894"	1223.462426	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+ACN+H"	42.033826
"1202777"	612.234851	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+ACN+2H"	43.041102
"196741"	2407.82836	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+2Na-H"	44.97116
"631198"	3589.25696	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+2Na-H"	44.97116
"1136526"	1226.39976	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2Na-H"	44.97116
"176530"	1204.417818	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+2Na"	45.978436
"617916"	1795.132118	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+2Na"	45.978436
"1119235"	613.703518	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2Na"	45.978436
"1400573"	409.471437333333	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H+2Na"	46.985712
"1433782"	1228.441346	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H+HCOOH"	47.012746
"222022"	1209.45084	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+3H2O+2H"	56.04448
"1511906"	1242.49339	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+IsoProp+H"	61.06479
"412321"	1212.404788	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+Na+K"	61.952376
"773681"	1803.119088	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+Na+K"	61.952376
"1667095"	621.690488	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Na+K"	61.952376
"253980"	2426.872968	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+ACN+Na"	64.015768
"1228145"	1245.444368	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+ACN+Na"	64.015768
"1713749"	1245.467893	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+NH4+HCOOH"	64.039293
"1182398"	416.798751333333	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+3Na"	68.967654
"1652285"	1250.423288	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Na+HCOOH"	68.994688
"165713"	2439.77624	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+2K-H"	76.91904
"600899"	3621.20484	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+2K-H"	76.91904
"1096349"	1258.34764	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2K-H"	76.91904
"147698"	1220.391758	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"2M+2K"	77.926316
"582883"	1811.106058	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"3M+2K"	77.926316
"1071770"	629.677458	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2K"	77.926316
"1110448"	1260.362192	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2K+H"	78.933592
"1345740"	1260.449807	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+DMSO+H"	79.021207
"1010989"	1264.488976	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2ACN+H"	83.060376
"1531302"	1265.482608	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+IsoProp+Na+H"	84.054008
"997749"	632.748126	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+2ACN+2H"	84.067652
"1591160"	1266.397228	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+K+HCOOH"	84.968628
"1416453"	1296.428738	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+H+CF3COOH"	115.000138
"1151479"	653.261401	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+3ACN+2H"	125.094202
"1699942"	1313.455285	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+NH4+CF3COOH"	132.026685
"1636690"	1318.41068	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+Na+CF3COOH"	136.98208
"1571609"	1334.38462	"C05447"	"3alpha7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O19P3S"	"1181.4286"	"M+K+CF3COOH"	152.95602
"815468"	1199.4392	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M"	0
"988518"	1180.42081	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H2O-H"	-19.01839
"74328"	798.618857333333	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-3H"	-3.021828
"512794"	1198.431924	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-3H"	-3.021828
"890601"	398.805790666667	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-3H"	-3.021828
"10269"	1198.431924	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H"	-2.014552
"450921"	1798.151524	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H"	-2.014552
"830547"	598.712324	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H"	-2.014552
"92726"	2397.871124	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H"	-1.007276
"531557"	3597.310324	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H"	-1.007276
"908264"	1198.431924	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H"	-1.007276
"62157"	2414.897671	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+NH4"	16.019271
"493816"	3614.336871	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+NH4"	16.019271
"876722"	1215.458471	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+NH4"	16.019271
"37333"	2419.853066	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+Na"	20.974666
"484914"	3619.292266	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+Na"	20.974666
"860894"	1220.413866	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+Na"	20.974666
"1627147"	1220.413866	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na-2H"	20.974666
"106956"	1216.420263	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H+Cl"	33.962126
"539956"	1816.139863	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H+Cl"	33.962126
"930188"	616.700663	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+Cl"	33.962126
"272029"	2433.847802	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Cl"	34.969402
"665545"	3633.287002	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Cl"	34.969402
"1282323"	1234.408602	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl"	34.969402
"19411"	2435.827006	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+K"	36.948606
"460071"	3635.266206	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+K"	36.948606
"837873"	1236.387806	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+K"	36.948606
"1559176"	1236.387806	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K-2H"	36.948606
"947059"	1244.437394	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+HCOOH"	44.998194
"366367"	2443.876601	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+HCOOH-H"	44.998201
"351344"	2457.892251	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Hac-H"	59.013851
"1499081"	1258.453051	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Hac-H"	59.013851
"966623"	1266.419351	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+NaCOOH"	66.980151
"122091"	1234.408602	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Cl"	69.938804
"560557"	1834.128202	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Cl"	69.938804
"1034824"	634.689002	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Cl"	69.938804
"1250028"	1278.358085	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Br"	78.918885
"1307008"	1280.414072	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+HCOOH"	80.974872
"1321225"	1302.396029	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+NaCOOH"	102.956829
"916656"	1312.424786	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+CF3COOH"	112.985586
"1288872"	1348.401464	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+CF3COOH"	148.962264
"1367640"	1164.426524	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-2H2O"	-35.012676
"1384652"	1182.4365	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-H2O"	-17.0027
"287621"	2399.885676	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H"	1.007276
"682229"	3599.324876	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H"	1.007276
"1359672"	1200.446476	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H"	1.007276
"130374"	1200.446476	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2H"	2.014552
"568838"	1800.166076	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2H"	2.014552
"1042011"	600.726876	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H"	2.014552
"208816"	800.633409333333	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H"	3.021828
"652759"	1200.446476	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+3H"	3.021828
"1173071"	400.820342666667	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3H"	3.021828
"434155"	2416.912223	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+NH4"	18.033823
"796243"	3616.351423	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+NH4"	18.033823
"1687106"	1217.473023	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4"	18.033823
"332468"	1208.9597495	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+NH4"	19.041099
"728902"	1808.6793495	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+NH4"	19.041099
"1482724"	609.2401495	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+NH4"	19.041099
"395569"	2421.867618	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na"	22.989218
"756202"	3621.306818	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na"	22.989218
"1603808"	1222.428418	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na"	22.989218
"318347"	1211.437447	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+Na"	23.996494
"710041"	1811.157047	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+Na"	23.996494
"1465316"	611.717847	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+Na"	23.996494
"1053572"	408.147656666667	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H+Na"	25.00377
"1257808"	1232.472686	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+CH3OH+H"	33.033486
"388304"	2437.841558	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+K"	38.963158
"745656"	3637.280758	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+K"	38.963158
"1550989"	1238.402358	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K"	38.963158
"309258"	1219.424417	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+K"	39.970434
"700593"	1819.144017	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+K"	39.970434
"1455506"	619.704817	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+K"	39.970434
"243014"	2440.912226	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+H"	42.033826
"1221190"	1241.473026	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+H"	42.033826
"1202887"	621.240151	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+2H"	43.041102
"193570"	2443.84956	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na-H"	44.97116
"632036"	3643.28876	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na-H"	44.97116
"1135542"	1244.41036	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na-H"	44.97116
"176642"	1222.428418	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na"	45.978436
"618756"	1822.148018	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na"	45.978436
"1119345"	622.708818	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na"	45.978436
"1404327"	415.474970666667	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+2Na"	46.985712
"1433164"	1246.451946	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+HCOOH"	47.012746
"222132"	1227.46144	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H2O+2H"	56.04448
"1511652"	1260.50399	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+H"	61.06479
"416077"	1230.415388	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na+K"	61.952376
"774521"	1830.134988	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na+K"	61.952376
"1667570"	630.695788	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+K"	61.952376
"253726"	2462.894168	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+Na"	64.015768
"1227163"	1263.454968	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+Na"	64.015768
"1713497"	1263.478493	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+HCOOH"	64.039293
"1182508"	422.802284666667	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3Na"	68.967654
"1653124"	1268.433888	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+HCOOH"	68.994688
"165823"	2475.79744	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K-H"	76.91904
"606477"	3675.23664	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K-H"	76.91904
"1094274"	1276.35824	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K-H"	76.91904
"145622"	1238.402358	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K"	77.926316
"582021"	1838.121958	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K"	77.926316
"1071880"	638.682758	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K"	77.926316
"1107278"	1278.372792	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K+H"	78.933592
"1342570"	1278.460407	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+DMSO+H"	79.021207
"1011099"	1282.499576	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+H"	83.060376
"1525944"	1283.493208	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+Na+H"	84.054008
"997859"	641.753426	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+2H"	84.067652
"1590176"	1284.407828	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+HCOOH"	84.968628
"1419116"	1314.439338	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+CF3COOH"	115.000138
"1153778"	662.266701	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3ACN+2H"	125.094202
"1700052"	1331.465885	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+CF3COOH"	132.026685
"1638987"	1336.42128	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+CF3COOH"	136.98208
"1571435"	1352.39522	"C05448"	"3alpha7alpha24-Trihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+CF3COOH"	152.95602
"816309"	1197.4235	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M"	0
"989361"	1178.40511	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H2O-H"	-19.01839
"77719"	797.275057333333	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-3H"	-3.021828
"515092"	1196.416224	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-3H"	-3.021828
"892897"	398.133890666667	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-3H"	-3.021828
"11472"	1196.416224	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H"	-2.014552
"454920"	1795.127974	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H"	-2.014552
"829564"	597.704474	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H"	-2.014552
"93934"	2393.839724	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-H"	-1.007276
"532276"	3591.263224	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-H"	-1.007276
"910933"	1196.416224	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H"	-1.007276
"62388"	2410.866271	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H+NH4"	16.019271
"501582"	3608.289771	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H+NH4"	16.019271
"875737"	1213.442771	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H+NH4"	16.019271
"40356"	2415.821666	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H+Na"	20.974666
"486238"	3613.245166	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H+Na"	20.974666
"861002"	1218.398166	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H+Na"	20.974666
"1631629"	1218.398166	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na-2H"	20.974666
"108037"	1214.404563	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-H+Cl"	33.962126
"543346"	1813.116313	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-H+Cl"	33.962126
"940144"	615.692813	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+Cl"	33.962126
"273231"	2429.816402	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Cl"	34.969402
"673680"	3627.239902	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+Cl"	34.969402
"1283526"	1232.392902	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl"	34.969402
"19523"	2431.795606	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H+K"	36.948606
"463462"	3629.219106	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H+K"	36.948606
"845274"	1234.372106	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H+K"	36.948606
"1565846"	1234.372106	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K-2H"	36.948606
"953729"	1242.421694	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+HCOOH"	44.998194
"373038"	2439.845201	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+HCOOH-H"	44.998201
"358015"	2453.860851	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Hac-H"	59.013851
"1504658"	1256.437351	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Hac-H"	59.013851
"968921"	1264.403651	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+NaCOOH"	66.980151
"120014"	1232.392902	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2Cl"	69.938804
"563947"	1831.104652	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2Cl"	69.938804
"1034935"	633.681152	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2Cl"	69.938804
"1255608"	1276.342385	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Br"	78.918885
"1311494"	1278.398372	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl+HCOOH"	80.974872
"1324616"	1300.380329	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl+NaCOOH"	102.956829
"916766"	1310.409086	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+CF3COOH"	112.985586
"1289225"	1346.385764	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl+CF3COOH"	148.962264
"1370547"	1162.410824	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H-2H2O"	-35.012676
"1383221"	1180.4208	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H-H2O"	-17.0027
"286637"	2395.854276	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H"	1.007276
"682339"	3593.277776	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H"	1.007276
"1359782"	1198.430776	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H"	1.007276
"135951"	1198.430776	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2H"	2.014552
"574417"	1797.142526	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2H"	2.014552
"1043216"	599.719026	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2H"	2.014552
"212209"	799.289609333333	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+3H"	3.021828
"654695"	1198.430776	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+3H"	3.021828
"1173182"	400.148442666667	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+3H"	3.021828
"433537"	2412.880823	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+NH4"	18.033823
"795260"	3610.304323	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+NH4"	18.033823
"1689402"	1215.457323	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+NH4"	18.033823
"336589"	1206.9440495	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H+NH4"	19.041099
"729012"	1805.6557995	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H+NH4"	19.041099
"1480649"	608.2322995	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+NH4"	19.041099
"394951"	2417.836218	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Na"	22.989218
"754979"	3615.259718	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+Na"	22.989218
"1605261"	1220.412718	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na"	22.989218
"315302"	1209.421747	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H+Na"	23.996494
"707477"	1808.133497	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H+Na"	23.996494
"1462511"	610.709997	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+Na"	23.996494
"1055021"	407.475756666667	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2H+Na"	25.00377
"1257918"	1230.456986	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+CH3OH+H"	33.033486
"386955"	2433.810158	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+K"	38.963158
"747952"	3631.233658	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+K"	38.963158
"1552921"	1236.386658	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K"	38.963158
"310461"	1217.408717	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H+K"	39.970434
"700699"	1816.120467	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H+K"	39.970434
"1455614"	618.696967	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+K"	39.970434
"239841"	2436.880826	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+ACN+H"	42.033826
"1221300"	1239.457326	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+ACN+H"	42.033826
"1204090"	620.232301	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+ACN+2H"	43.041102
"193680"	2439.81816	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2Na-H"	44.97116
"631782"	3637.24166	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2Na-H"	44.97116
"1134192"	1242.39466	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2Na-H"	44.97116
"177118"	1220.412718	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2Na"	45.978436
"617773"	1819.124468	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2Na"	45.978436
"1116656"	621.700968	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2Na"	45.978436
"1400062"	414.803070666667	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+2Na"	46.985712
"1432543"	1244.436246	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+HCOOH"	47.012746
"227346"	1225.44574	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+3H2O+2H"	56.04448
"1514314"	1258.48829	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+IsoProp+H"	61.06479
"416187"	1228.399688	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Na+K"	61.952376
"775724"	1827.111438	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+Na+K"	61.952376
"1668410"	629.687938	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na+K"	61.952376
"253836"	2458.862768	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+ACN+Na"	64.015768
"1226785"	1261.439268	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+ACN+Na"	64.015768
"1713603"	1261.462793	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+NH4+HCOOH"	64.039293
"1184804"	422.130384666667	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+3Na"	68.967654
"1655791"	1266.418188	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na+HCOOH"	68.994688
"167026"	2471.76604	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2K-H"	76.91904
"606587"	3669.18954	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2K-H"	76.91904
"1092193"	1274.34254	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2K-H"	76.91904
"150104"	1236.386658	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2K"	77.926316
"587477"	1835.098408	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2K"	77.926316
"1075270"	637.674908	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2K"	77.926316
"1105199"	1276.357092	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2K+H"	78.933592
"1340489"	1276.444707	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+DMSO+H"	79.021207
"1011209"	1280.483876	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2ACN+H"	83.060376
"1538815"	1281.477508	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+IsoProp+Na+H"	84.054008
"1003437"	640.745576	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2ACN+2H"	84.067652
"1592474"	1282.392128	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K+HCOOH"	84.968628
"1421414"	1312.423638	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+CF3COOH"	115.000138
"1156075"	661.258851	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+3ACN+2H"	125.094202
"1703443"	1329.450185	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+NH4+CF3COOH"	132.026685
"1636910"	1334.40558	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na+CF3COOH"	136.98208
"1572560"	1350.37952	"C05449"	"3alpha7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K+CF3COOH"	152.95602
"815931"	1215.4341	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M"	0
"988493"	1196.41571	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H2O-H"	-19.01839
"71268"	809.282124	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-3H"	-3.021828
"509734"	1214.426824	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-3H"	-3.021828
"890820"	404.137424	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-3H"	-3.021828
"10489"	1214.426824	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H"	-2.014552
"451140"	1822.143874	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H"	-2.014552
"825664"	606.709774	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H"	-2.014552
"88936"	2429.860924	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-H"	-1.007276
"526310"	3645.295024	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-H"	-1.007276
"908485"	1214.426824	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H"	-1.007276
"61401"	2446.887471	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H+NH4"	16.019271
"498046"	3662.321571	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H+NH4"	16.019271
"871469"	1231.453371	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H+NH4"	16.019271
"39370"	2451.842866	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H+Na"	20.974666
"476744"	3667.276966	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H+Na"	20.974666
"860015"	1236.408766	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H+Na"	20.974666
"1622260"	1236.408766	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na-2H"	20.974666
"96602"	1232.415163	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-H+Cl"	33.962126
"537622"	1840.132213	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-H+Cl"	33.962126
"932598"	624.698113	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+Cl"	33.962126
"274435"	2465.837602	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Cl"	34.969402
"674639"	3681.271702	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+Cl"	34.969402
"1287528"	1250.403502	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl"	34.969402
"26193"	2467.816806	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H+K"	36.948606
"464665"	3683.250906	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H+K"	36.948606
"843561"	1252.382706	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H+K"	36.948606
"1568508"	1252.382706	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K-2H"	36.948606
"953839"	1260.432294	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+HCOOH"	44.998194
"373148"	2475.866401	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+HCOOH-H"	44.998201
"354845"	2489.882051	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Hac-H"	59.013851
"1503674"	1274.447951	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Hac-H"	59.013851
"965750"	1282.414251	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+NaCOOH"	66.980151
"120122"	1250.403502	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2Cl"	69.938804
"558590"	1858.120552	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2Cl"	69.938804
"1032857"	642.686452	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2Cl"	69.938804
"1252436"	1294.352985	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Br"	78.918885
"1309414"	1296.408972	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl+HCOOH"	80.974872
"1320714"	1318.390929	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl+NaCOOH"	102.956829
"912620"	1328.419686	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+CF3COOH"	112.985586
"1290306"	1364.396364	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl+CF3COOH"	148.962264
"1369927"	1180.421424	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H-2H2O"	-35.012676
"1384142"	1198.4314	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H-H2O"	-17.0027
"287840"	2431.875476	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H"	1.007276
"681355"	3647.309576	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H"	1.007276
"1359892"	1216.441376	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H"	1.007276
"136061"	1216.441376	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2H"	2.014552
"573434"	1824.158426	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2H"	2.014552
"1045513"	608.724326	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2H"	2.014552
"211226"	811.296676	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+3H"	3.021828
"652982"	1216.441376	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+3H"	3.021828
"1171106"	406.151976	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+3H"	3.021828
"431097"	2448.902023	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+NH4"	18.033823
"794277"	3664.336123	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+NH4"	18.033823
"1686232"	1233.467923	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+NH4"	18.033823
"335606"	1224.9546495	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H+NH4"	19.041099
"729122"	1832.6716995	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H+NH4"	19.041099
"1478936"	617.2375995	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+NH4"	19.041099
"395061"	2453.857418	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Na"	22.989218
"756419"	3669.291518	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+Na"	22.989218
"1602937"	1238.423318	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na"	22.989218
"315289"	1227.432347	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H+Na"	23.996494
"708799"	1835.149397	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H+Na"	23.996494
"1462621"	619.715297	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+Na"	23.996494
"1054401"	413.47929	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2H+Na"	25.00377
"1258635"	1248.467586	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+CH3OH+H"	33.033486
"383785"	2469.831358	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+K"	38.963158
"743686"	3685.265458	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+K"	38.963158
"1547926"	1254.397258	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K"	38.963158
"305102"	1235.419317	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H+K"	39.970434
"699716"	1843.136367	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H+K"	39.970434
"1451349"	627.702267	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+K"	39.970434
"238855"	2472.902026	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+ACN+H"	42.033826
"1218129"	1257.467926	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+ACN+H"	42.033826
"1204199"	629.237601	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+ACN+2H"	43.041102
"195977"	2475.83936	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2Na-H"	44.97116
"632255"	3691.27346	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2Na-H"	44.97116
"1134667"	1260.40526	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2Na-H"	44.97116
"176864"	1238.423318	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2Na"	45.978436
"618611"	1846.140368	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2Na"	45.978436
"1118106"	630.706268	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2Na"	45.978436
"1400536"	420.806604	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+2Na"	46.985712
"1431925"	1262.446846	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+HCOOH"	47.012746
"226727"	1243.45634	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+3H2O+2H"	56.04448
"1513331"	1276.49889	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+IsoProp+H"	61.06479
"415204"	1246.410288	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Na+K"	61.952376
"774376"	1854.127338	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+Na+K"	61.952376
"1668884"	638.693238	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na+K"	61.952376
"254310"	2494.883968	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+ACN+Na"	64.015768
"1227383"	1279.449868	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+ACN+Na"	64.015768
"1716633"	1279.473393	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+NH4+HCOOH"	64.039293
"1183821"	428.133918	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+3Na"	68.967654
"1655901"	1284.428788	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na+HCOOH"	68.994688
"166043"	2507.78724	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2K-H"	76.91904
"607790"	3723.22134	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2K-H"	76.91904
"1095583"	1292.35314	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2K-H"	76.91904
"148028"	1254.397258	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2K"	77.926316
"589774"	1862.114308	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2K"	77.926316
"1074287"	646.680208	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2K"	77.926316
"1107496"	1294.367692	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2K+H"	78.933592
"1348254"	1294.455307	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+DMSO+H"	79.021207
"1009132"	1298.494476	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2ACN+H"	83.060376
"1534912"	1299.488108	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+IsoProp+Na+H"	84.054008
"994799"	649.750876	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2ACN+2H"	84.067652
"1592584"	1300.402728	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K+HCOOH"	84.968628
"1426991"	1330.434238	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+CF3COOH"	115.000138
"1156185"	670.264151	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+3ACN+2H"	125.094202
"1703552"	1347.460785	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+NH4+CF3COOH"	132.026685
"1638113"	1352.41618	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na+CF3COOH"	136.98208
"1572670"	1368.39012	"C05450"	"3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestanoyl-CoA;3alpha7alpha12alpha24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K+CF3COOH"	152.95602
"812883"	402.3498	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M"	0
"986416"	383.33141	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"69194"	267.225924	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"515681"	401.342524	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"888742"	133.109324	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"8408"	401.342524	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"445786"	602.517424	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"820670"	200.167624	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"83578"	803.692324	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"525324"	1206.042124	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"900940"	401.342524	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"52029"	820.718871	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"493051"	1223.068671	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"867206"	418.369071	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"37295"	825.674266	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"475033"	1228.024066	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"854659"	423.324466	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1620913"	423.324466	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"95618"	419.330863	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"536640"	620.505763	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"934896"	218.155963	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"273452"	839.669002	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"674993"	1242.018802	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1288003"	437.319202	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"26303"	841.648206	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"465868"	1243.998006	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"843671"	439.298406	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1567889"	439.298406	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"955773"	447.347994	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"375084"	849.697801	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"357508"	863.713451	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1503785"	461.363651	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"969507"	469.329951	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"118049"	437.319202	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"561981"	638.494102	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1029688"	236.144302	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1250360"	481.268685	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1311713"	483.324672	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1320460"	505.306629	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"912248"	515.335386	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1288956"	551.312064	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1367156"	367.337124	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1382909"	385.3471	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"287951"	805.706876	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"676239"	1208.056676	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1360002"	403.357076	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"135078"	403.357076	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"573544"	604.531976	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1043436"	202.182176	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"209149"	269.240476	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"655279"	403.357076	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1169030"	135.123876	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"429384"	822.733423	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"790015"	1225.083223	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1686343"	420.383623	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"334623"	411.8703495	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"725953"	613.0452495	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1477276"	210.6954495	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"393012"	827.688818	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"754339"	1230.038618	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1602737"	425.339018	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"314420"	414.348047	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"707810"	615.522947	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1461757"	213.173147	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1053418"	142.45119	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1257080"	435.383286	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"383895"	843.662758	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"743796"	1246.012558	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1546943"	441.312958	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"304119"	422.335017	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"699826"	623.509917	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1452553"	221.160117	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"239696"	846.733426	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1212769"	444.383626	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1201029"	222.695451	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"196087"	849.67076	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"632001"	1252.02056	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1134412"	447.32096	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"177703"	425.339018	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"618721"	626.513918	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1118216"	224.164118	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1400282"	149.778504	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1434221"	449.362546	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"225379"	430.37204	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1514534"	463.41459	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"413126"	433.325988	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"772298"	634.500888	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1666199"	232.151088	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"251569"	868.715368	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1226031"	466.365568	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1714554"	466.389093	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1185024"	157.105818	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1651144"	471.344488	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"167249"	881.61864	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"602433"	1283.96844	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1092414"	479.26884	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"147043"	441.312958	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"589885"	642.487858	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1075490"	240.138058	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1107607"	481.283392	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1340712"	481.371007	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1012523"	485.410176	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1532836"	486.403808	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"996004"	243.208726	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1595975"	487.318428	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1417263"	517.349938	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1154113"	263.722001	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1706945"	534.376485	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1638223"	539.33188	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1572780"	555.30582	"C05451"	"7alpha-Hydroxy-5beta-cholestan-3-one;5beta-Cholestan-7alpha-ol-3-one"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"809709"	404.3654	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M"	0
"986166"	385.34701	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-H2O-H"	-19.01839
"67114"	268.569657333333	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M-3H"	-3.021828
"512143"	403.358124	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M-3H"	-3.021828
"892862"	133.781190666667	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-3H"	-3.021828
"9612"	403.358124	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M-2H"	-2.014552
"446988"	605.540824	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M-2H"	-2.014552
"821510"	201.175424	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-2H"	-2.014552
"88061"	807.723524	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M-H"	-1.007276
"528715"	1212.088924	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M-H"	-1.007276
"902144"	403.358124	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-H"	-1.007276
"51412"	824.750071	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M-2H+NH4"	16.019271
"493161"	1229.115471	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M-2H+NH4"	16.019271
"868044"	420.384671	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-2H+NH4"	16.019271
"36310"	829.705466	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M-2H+Na"	20.974666
"474775"	1234.070866	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M-2H+Na"	20.974666
"851848"	425.340066	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-2H+Na"	20.974666
"1620656"	425.340066	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Na-2H"	20.974666
"96456"	421.346463	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M-H+Cl"	33.962126
"536380"	623.529163	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M-H+Cl"	33.962126
"935005"	219.163763	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-H+Cl"	33.962126
"276842"	843.700202	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+Cl"	34.969402
"674982"	1248.065602	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+Cl"	34.969402
"1286898"	439.334802	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Cl"	34.969402
"24226"	845.679406	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M-2H+K"	36.948606
"463792"	1250.044806	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M-2H+K"	36.948606
"837218"	441.314006	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-2H+K"	36.948606
"1567268"	441.314006	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+K-2H"	36.948606
"955882"	449.363594	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-H+HCOOH"	44.998194
"374829"	853.729001	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+HCOOH-H"	44.998201
"357618"	867.744651	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+Hac-H"	59.013851
"1502802"	463.379251	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Hac-H"	59.013851
"967065"	471.345551	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-H+NaCOOH"	66.980151
"115973"	439.334802	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+2Cl"	69.938804
"558813"	641.517502	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+2Cl"	69.938804
"1030893"	237.152102	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2Cl"	69.938804
"1252658"	483.284285	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Br"	78.918885
"1308545"	485.340272	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Cl+HCOOH"	80.974872
"1327135"	507.322229	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Cl+NaCOOH"	102.956829
"914912"	517.350986	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M-H+CF3COOH"	112.985586
"1288946"	553.327664	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Cl+CF3COOH"	148.962264
"1368437"	369.352724	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H-2H2O"	-35.012676
"1383748"	387.3627	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H-H2O"	-17.0027
"284781"	809.738076	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+H"	1.007276
"675862"	1214.103476	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+H"	1.007276
"1360112"	405.372676	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H"	1.007276
"136282"	405.372676	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+2H"	2.014552
"576936"	607.555376	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+2H"	2.014552
"1046827"	203.189976	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2H"	2.014552
"212542"	270.584209333333	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+3H"	3.021828
"652109"	405.372676	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+3H"	3.021828
"1168047"	135.795742666667	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+3H"	3.021828
"426944"	826.764623	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+NH4"	18.033823
"789032"	1231.130023	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+NH4"	18.033823
"1684630"	422.399223	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+NH4"	18.033823
"332547"	413.8859495	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+H+NH4"	19.041099
"724605"	616.0686495	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+H+NH4"	19.041099
"1477696"	211.7032495	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H+NH4"	19.041099
"394186"	831.720018	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+Na"	22.989218
"755058"	1236.085418	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+Na"	22.989218
"1603399"	427.354618	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Na"	22.989218
"314900"	416.363647	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+H+Na"	23.996494
"708650"	618.546347	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+H+Na"	23.996494
"1461624"	214.180947	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H+Na"	23.996494
"1054377"	143.123056666667	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2H+Na"	25.00377
"1257757"	437.398886	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+CH3OH+H"	33.033486
"378046"	847.693958	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+K"	38.963158
"745002"	1252.059358	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+K"	38.963158
"1548148"	443.328558	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+K"	38.963158
"306416"	424.350617	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+H+K"	39.970434
"699937"	626.533317	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+H+K"	39.970434
"1452663"	222.167917	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H+K"	39.970434
"239804"	850.764626	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+ACN+H"	42.033826
"1219443"	446.399226	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+ACN+H"	42.033826
"1203325"	223.703251	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+ACN+2H"	43.041102
"191456"	853.70196	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+2Na-H"	44.97116
"634664"	1258.06736	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+2Na-H"	44.97116
"1135616"	449.33656	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2Na-H"	44.97116
"176720"	427.354618	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+2Na"	45.978436
"617374"	629.537318	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+2Na"	45.978436
"1119057"	225.171918	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2Na"	45.978436
"1403674"	150.450370666667	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H+2Na"	46.985712
"1432509"	451.378146	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H+HCOOH"	47.012746
"224396"	432.38764	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+3H2O+2H"	56.04448
"1512458"	465.43019	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+IsoProp+H"	61.06479
"411414"	435.341588	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+Na+K"	61.952376
"770950"	637.524288	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+Na+K"	61.952376
"1665857"	233.158888	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Na+K"	61.952376
"252340"	872.746568	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+ACN+Na"	64.015768
"1226866"	468.381168	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+ACN+Na"	64.015768
"1713568"	468.404693	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+NH4+HCOOH"	64.039293
"1179005"	157.777684666667	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+3Na"	68.967654
"1658308"	473.360088	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Na+HCOOH"	68.994688
"166266"	885.64984	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+2K-H"	76.91904
"610200"	1290.01524	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+2K-H"	76.91904
"1099576"	481.28444	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2K-H"	76.91904
"156879"	443.328558	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"2M+2K"	77.926316
"595102"	645.511258	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"3M+2K"	77.926316
"1078883"	241.145858	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2K"	77.926316
"1112943"	483.298992	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2K+H"	78.933592
"1345198"	483.386607	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+DMSO+H"	79.021207
"1020290"	487.425776	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2ACN+H"	83.060376
"1537929"	488.419408	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+IsoProp+Na+H"	84.054008
"996114"	244.216526	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+2ACN+2H"	84.067652
"1598272"	489.334028	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+K+HCOOH"	84.968628
"1423936"	519.365538	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+H+CF3COOH"	115.000138
"1154224"	264.729801	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+3ACN+2H"	125.094202
"1705962"	536.392085	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+NH4+CF3COOH"	132.026685
"1638333"	541.34748	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+Na+CF3COOH"	136.98208
"1571917"	557.32142	"C05452"	"3alpha7alpha-Dihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha-diol"	"C27H48O2"	"404.3654"	"M+K+CF3COOH"	152.95602
"803258"	418.3447	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M"	0
"988095"	399.32631	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"65038"	277.889190666667	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"510067"	417.337424	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"888960"	138.440957333333	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"11908"	417.337424	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"444911"	626.509774	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"820889"	208.165074	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"84891"	835.682124	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"521169"	1254.026824	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"899702"	417.337424	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"50790"	852.708671	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"492907"	1271.053371	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"866085"	434.363971	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"36054"	857.664066	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"474520"	1276.008766	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"852689"	439.319366	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1622587"	439.319366	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"97293"	435.325763	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"535399"	644.498113	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"928551"	226.153413	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"272578"	871.658802	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"674240"	1290.003502	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1286887"	453.314102	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"23243"	873.638006	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"463902"	1291.982706	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"839515"	455.293306	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1566285"	455.293306	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"954170"	463.342894	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"371291"	881.687601	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"355176"	895.703251	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1499631"	477.358551	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"967175"	485.324851	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"116083"	453.314102	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"557830"	662.486452	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1029910"	244.141752	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1251675"	497.263585	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1308655"	499.319572	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1327245"	521.301529	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"915022"	531.330286	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1288973"	567.306964	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1369155"	383.332024	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1384830"	401.342	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"284891"	837.696676	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"675966"	1256.041376	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1353661"	419.351976	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"136392"	419.351976	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"574859"	628.524326	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1046937"	210.179626	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"208278"	279.903742666667	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"652219"	419.351976	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1168156"	140.455509333333	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"427054"	854.723223	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"789142"	1273.067923	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1684739"	436.378523	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"333382"	427.8652495	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"727265"	637.0375995	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1478900"	218.6928995	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"396483"	859.678618	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"756747"	1278.023318	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1603751"	441.333918	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"314524"	430.342947	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"708035"	639.515297	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1463073"	221.170597	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1054007"	147.782823333333	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1257388"	451.378186	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"378278"	875.652558	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"744019"	1293.997258	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1547165"	457.307858	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"307619"	438.329917	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"696766"	647.502267	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1450949"	229.157567	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"238821"	878.723226	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1213718"	460.378526	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1203435"	230.692901	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"195212"	881.66056	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"634409"	1300.00526	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1133539"	463.31586	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"175371"	441.333918	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"617484"	650.506268	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1119167"	232.161568	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1403420"	155.110137333333	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1433711"	465.357446	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"223408"	446.36694	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1512567"	479.40949	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"415534"	449.320888	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"772884"	658.493238	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1668118"	240.148538	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"252079"	900.705168	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1226975"	482.360468	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1714407"	482.383993	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1178916"	162.437451333333	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1656231"	487.339388	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"163459"	913.60844	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"610310"	1331.95314	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1097862"	495.26374	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"154678"	457.307858	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"595212"	666.480208	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1078993"	248.135508	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1111109"	497.278292	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1342028"	497.365907	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1014931"	501.405076	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1535244"	502.398708	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"994037"	251.206176	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1597289"	503.313328	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1424046"	533.344838	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1154334"	271.719451	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1707165"	550.371385	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1636621"	555.32678	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1572270"	571.30072	"C05453"	"7alpha12alpha-Dihydroxy-5beta-cholestan-3-one;5beta-Cholesten-7alpha12alpha-diol-3-one"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"807741"	420.3603	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M"	0
"988937"	401.34191	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-H2O-H"	-19.01839
"71709"	279.232924	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M-3H"	-3.021828
"513459"	419.353024	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M-3H"	-3.021828
"887979"	139.112824	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-3H"	-3.021828
"9831"	419.353024	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M-2H"	-2.014552
"449394"	629.533174	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M-2H"	-2.014552
"825008"	209.172874	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-2H"	-2.014552
"89375"	839.713324	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M-H"	-1.007276
"524195"	1260.073624	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M-H"	-1.007276
"900539"	419.353024	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-H"	-1.007276
"51268"	856.739871	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M-2H+NH4"	16.019271
"494838"	1277.100171	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M-2H+NH4"	16.019271
"866682"	436.379571	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-2H+NH4"	16.019271
"38717"	861.695266	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M-2H+Na"	20.974666
"475359"	1282.055566	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M-2H+Na"	20.974666
"853527"	441.334966	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-2H+Na"	20.974666
"1621237"	441.334966	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Na-2H"	20.974666
"97764"	437.341363	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M-H+Cl"	33.962126
"536963"	647.521513	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M-H+Cl"	33.962126
"928291"	227.161213	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-H+Cl"	33.962126
"269767"	875.690002	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+Cl"	34.969402
"673741"	1296.050302	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+Cl"	34.969402
"1286265"	455.329702	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Cl"	34.969402
"28820"	877.669206	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M-2H+K"	36.948606
"461826"	1298.029506	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M-2H+K"	36.948606
"838532"	457.308906	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-2H+K"	36.948606
"1563115"	457.308906	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+K-2H"	36.948606
"954279"	465.358494	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-H+HCOOH"	44.998194
"368121"	885.718801	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+HCOOH-H"	44.998201
"358566"	899.734451	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+Hac-H"	59.013851
"1496463"	479.374151	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Hac-H"	59.013851
"969472"	487.340451	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-H+NaCOOH"	66.980151
"119473"	455.329702	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+2Cl"	69.938804
"559033"	665.509852	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+2Cl"	69.938804
"1030020"	245.149552	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2Cl"	69.938804
"1252879"	499.279185	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Br"	78.918885
"1308765"	501.335172	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Cl+HCOOH"	80.974872
"1327355"	523.317129	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Cl+NaCOOH"	102.956829
"915132"	533.345886	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M-H+CF3COOH"	112.985586
"1289653"	569.322564	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Cl+CF3COOH"	148.962264
"1367812"	385.347624	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H-2H2O"	-35.012676
"1383850"	403.3576	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H-H2O"	-17.0027
"286094"	841.727876	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+H"	1.007276
"677053"	1262.088176	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+H"	1.007276
"1354864"	421.367576	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H"	1.007276
"136502"	421.367576	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+2H"	2.014552
"573876"	631.547726	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+2H"	2.014552
"1047047"	211.187426	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2H"	2.014552
"210575"	281.247476	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+3H"	3.021828
"652329"	421.367576	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+3H"	3.021828
"1171547"	141.127376	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+3H"	3.021828
"431538"	858.754423	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+NH4"	18.033823
"790346"	1279.114723	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+NH4"	18.033823
"1687770"	438.394123	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+NH4"	18.033823
"333494"	429.8808495	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+H+NH4"	19.041099
"726647"	640.0609995	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+H+NH4"	19.041099
"1480102"	219.7006995	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H+NH4"	19.041099
"395502"	863.709818	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+Na"	22.989218
"757590"	1284.070118	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+Na"	22.989218
"1604597"	443.349518	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Na"	22.989218
"317918"	432.358547	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+H+Na"	23.996494
"708150"	642.538697	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+H+Na"	23.996494
"1463421"	222.178397	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H+Na"	23.996494
"1054479"	148.45469	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2H+Na"	25.00377
"1260172"	453.393786	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+CH3OH+H"	33.033486
"378023"	879.683758	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+K"	38.963158
"745222"	1300.044058	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+K"	38.963158
"1548366"	459.323458	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+K"	38.963158
"307000"	440.345517	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+H+K"	39.970434
"699062"	650.525667	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+H+K"	39.970434
"1452881"	230.165367	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H+K"	39.970434
"241483"	882.754426	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+ACN+H"	42.033826
"1212731"	462.394126	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+ACN+H"	42.033826
"1202451"	231.700701	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+ACN+2H"	43.041102
"197508"	885.69176	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+2Na-H"	44.97116
"635976"	1306.05206	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+2Na-H"	44.97116
"1135837"	465.33146	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2Na-H"	44.97116
"181681"	443.349518	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+2Na"	45.978436
"620510"	653.529668	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+2Na"	45.978436
"1120006"	233.169368	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2Na"	45.978436
"1403897"	155.782004	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H+2Na"	46.985712
"1437107"	467.373046	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H+HCOOH"	47.012746
"225708"	448.38254	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+3H2O+2H"	56.04448
"1519967"	481.42509	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+IsoProp+H"	61.06479
"418923"	451.336488	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+Na+K"	61.952376
"777731"	661.516638	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+Na+K"	61.952376
"1671145"	241.156338	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Na+K"	61.952376
"253652"	904.736368	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+ACN+Na"	64.015768
"1225996"	484.376068	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+ACN+Na"	64.015768
"1713789"	484.399593	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+NH4+HCOOH"	64.039293
"1180609"	163.109318	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+3Na"	68.967654
"1656342"	489.354988	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Na+HCOOH"	68.994688
"168673"	917.63964	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+2K-H"	76.91904
"611516"	1337.99994	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+2K-H"	76.91904
"1099513"	497.27934	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2K-H"	76.91904
"153937"	459.323458	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"2M+2K"	77.926316
"596422"	669.503608	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"3M+2K"	77.926316
"1080926"	249.143308	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2K"	77.926316
"1109034"	499.293892	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2K+H"	78.933592
"1345420"	499.381507	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+DMSO+H"	79.021207
"1016136"	503.420676	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2ACN+H"	83.060376
"1537542"	504.414308	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+IsoProp+Na+H"	84.054008
"1000709"	252.213976	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+2ACN+2H"	84.067652
"1596307"	505.328928	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+K+HCOOH"	84.968628
"1424156"	535.360438	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+H+CF3COOH"	115.000138
"1157724"	272.727251	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+3ACN+2H"	125.094202
"1709462"	552.386985	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+NH4+CF3COOH"	132.026685
"1637460"	557.34238	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+Na+CF3COOH"	136.98208
"1575296"	573.31632	"C05454"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholestane;5beta-Cholestane-3alpha7alpha12alpha-triol;3alpha7alpha12alpha-Trihydroxycoprostane"	"C27H48O3"	"420.3603"	"M+K+CF3COOH"	152.95602
"813319"	400.3341	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M"	0
"989695"	381.31571	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H2O-H"	-19.01839
"78316"	265.882124	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-3H"	-3.021828
"512475"	399.326824	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-3H"	-3.021828
"890277"	132.437424	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-3H"	-3.021828
"8848"	399.326824	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H"	-2.014552
"450599"	599.493874	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H"	-2.014552
"824025"	199.159774	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H"	-2.014552
"91671"	799.660924	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-H"	-1.007276
"530139"	1199.995024	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-H"	-1.007276
"900286"	399.326824	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H"	-1.007276
"51378"	816.687471	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+NH4"	16.019271
"493127"	1217.021571	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+NH4"	16.019271
"867646"	416.353371	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+NH4"	16.019271
"35548"	821.642866	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+Na"	20.974666
"475109"	1221.976966	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+Na"	20.974666
"851817"	421.308766	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+Na"	20.974666
"1622444"	421.308766	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na-2H"	20.974666
"96421"	417.315163	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-H+Cl"	33.962126
"536344"	617.482213	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-H+Cl"	33.962126
"928771"	217.148113	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+Cl"	33.962126
"272795"	835.637602	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Cl"	34.969402
"674701"	1235.971702	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Cl"	34.969402
"1287793"	435.303502	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl"	34.969402
"22370"	837.616806	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+K"	36.948606
"461936"	1237.950906	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+K"	36.948606
"834270"	437.282706	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+K"	36.948606
"1565413"	437.282706	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K-2H"	36.948606
"954390"	445.332294	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+HCOOH"	44.998194
"369324"	845.666401	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+HCOOH-H"	44.998201
"353209"	859.682051	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Hac-H"	59.013851
"1495478"	459.347951	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Hac-H"	59.013851
"967394"	467.314251	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+NaCOOH"	66.980151
"118490"	435.303502	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Cl"	69.938804
"560238"	635.470552	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Cl"	69.938804
"1027943"	235.136452	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Cl"	69.938804
"1249707"	479.252985	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Br"	78.918885
"1313248"	481.308972	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+HCOOH"	80.974872
"1325276"	503.290929	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+NaCOOH"	102.956829
"919616"	513.319686	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+CF3COOH"	112.985586
"1289764"	549.296364	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+CF3COOH"	148.962264
"1369018"	365.321424	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H-2H2O"	-35.012676
"1382783"	383.3314	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H-H2O"	-17.0027
"289485"	801.675476	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H"	1.007276
"680813"	1202.009576	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H"	1.007276
"1362995"	401.341376	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H"	1.007276
"136619"	401.341376	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2H"	2.014552
"577266"	601.508426	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2H"	2.014552
"1047156"	201.174326	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2H"	2.014552
"211779"	267.896676	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+3H"	3.021828
"652438"	401.341376	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+3H"	3.021828
"1170563"	134.451976	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3H"	3.021828
"428368"	818.702023	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+NH4"	18.033823
"788270"	1219.036123	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+NH4"	18.033823
"1686787"	418.367923	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4"	18.033823
"331781"	409.8546495	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+NH4"	19.041099
"725664"	610.0216995	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+NH4"	19.041099
"1481306"	209.6875995	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+NH4"	19.041099
"393142"	823.657418	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Na"	22.989218
"756608"	1223.991518	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Na"	22.989218
"1607989"	423.323318	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na"	22.989218
"314305"	412.332347	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+Na"	23.996494
"707524"	612.499397	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+Na"	23.996494
"1464261"	212.165297	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+Na"	23.996494
"1054228"	141.77929	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2H+Na"	25.00377
"1258459"	433.367586	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+CH3OH+H"	33.033486
"377768"	839.631358	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+K"	38.963158
"748611"	1239.965458	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+K"	38.963158
"1550661"	439.297258	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K"	38.963158
"306746"	420.319317	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+K"	39.970434
"698077"	620.486367	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+K"	39.970434
"1450803"	220.152267	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+K"	39.970434
"238311"	842.702026	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+ACN+H"	42.033826
"1210529"	442.367926	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+H"	42.033826
"1201830"	221.687601	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+2H"	43.041102
"193243"	845.63936	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Na-H"	44.97116
"630007"	1245.97346	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Na-H"	44.97116
"1137769"	445.30526	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Na-H"	44.97116
"181791"	423.323318	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Na"	45.978436
"617704"	623.490368	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Na"	45.978436
"1118292"	223.156268	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Na"	45.978436
"1404007"	149.106604	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+2Na"	46.985712
"1437217"	447.346846	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+HCOOH"	47.012746
"225819"	428.35634	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+3H2O+2H"	56.04448
"1517162"	461.39889	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+IsoProp+H"	61.06479
"413568"	431.310288	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Na+K"	61.952376
"775656"	631.477338	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Na+K"	61.952376
"1667243"	231.143238	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+K"	61.952376
"254128"	864.683968	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+ACN+Na"	64.015768
"1228299"	464.349868	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+Na"	64.015768
"1713413"	464.373393	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4+HCOOH"	64.039293
"1186558"	156.433918	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3Na"	68.967654
"1656449"	469.328788	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+HCOOH"	68.994688
"164408"	877.58724	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2K-H"	76.91904
"612523"	1277.92134	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2K-H"	76.91904
"1099752"	477.25314	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K-H"	76.91904
"156236"	439.297258	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2K"	77.926316
"595430"	639.464308	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2K"	77.926316
"1082859"	239.130208	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K"	77.926316
"1109144"	479.267692	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K+H"	78.933592
"1345529"	479.355307	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+DMSO+H"	79.021207
"1020865"	483.394476	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2ACN+H"	83.060376
"1539238"	484.388108	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+IsoProp+Na+H"	84.054008
"1003007"	242.200876	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2ACN+2H"	84.067652
"1599700"	485.302728	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K+HCOOH"	84.968628
"1424268"	515.334238	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+CF3COOH"	115.000138
"1158928"	262.714151	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3ACN+2H"	125.094202
"1712666"	532.360785	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4+CF3COOH"	132.026685
"1637570"	537.31618	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+CF3COOH"	136.98208
"1574313"	553.29012	"C05455"	"7alpha-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K+CF3COOH"	152.95602
"803588"	418.3447	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M"	0
"984778"	399.32631	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"75207"	277.889190666667	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"513678"	417.337424	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"891479"	138.440957333333	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"10053"	417.337424	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"448523"	626.509774	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"824135"	208.165074	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"85220"	835.682124	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"523688"	1254.026824	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"899304"	417.337424	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"49664"	852.708671	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"489590"	1271.053371	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"869215"	434.363971	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"34563"	857.664066	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"474123"	1276.008766	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"851197"	439.319366	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1619149"	439.319366	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"99082"	435.325763	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"535361"	644.498113	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"928515"	226.153413	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"277279"	871.658802	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"668613"	1290.003502	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1283203"	453.314102	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"26853"	873.638006	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"458762"	1291.982706	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"832955"	455.293306	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1563334"	455.293306	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"951218"	463.342894	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"368341"	881.687601	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"350036"	895.703251	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1497776"	477.358551	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"962036"	485.324851	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"112038"	453.314102	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"560347"	662.486452	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1026959"	244.141752	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1248725"	497.263585	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1312264"	499.319572	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1327574"	521.301529	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"918634"	531.330286	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1290967"	567.306964	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1368034"	383.332024	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1383346"	401.342	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"292876"	837.696676	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"680923"	1256.041376	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1362740"	419.351976	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"137090"	419.351976	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"570816"	628.524326	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1049091"	210.179626	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"214077"	279.903742666667	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"652914"	419.351976	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1170673"	140.455509333333	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"429572"	854.723223	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"789474"	1273.067923	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1685074"	436.378523	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"331892"	427.8652495	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"724680"	637.0375995	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1481417"	218.6928995	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"394261"	859.678618	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"759998"	1278.023318	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1604816"	441.333918	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"314394"	430.342947	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"708361"	639.515297	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1462912"	221.170597	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1055064"	147.782823333333	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1257054"	451.378186	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"377757"	875.652558	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"746535"	1293.997258	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1549678"	457.307858	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"305763"	438.329917	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"700373"	647.502267	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1449820"	229.157567	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"237328"	878.723226	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1210883"	460.378526	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1200481"	230.692901	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"195539"	881.66056	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"632912"	1300.00526	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1134963"	463.31586	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"179713"	441.333918	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"615991"	650.506268	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1117304"	232.161568	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1402293"	155.110137333333	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1433312"	465.357446	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"224831"	446.36694	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1514353"	479.40949	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"412217"	449.320888	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"775766"	658.493238	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1668446"	240.148538	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"252780"	900.705168	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1227436"	482.360468	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1712913"	482.383993	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1188855"	162.437451333333	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1656559"	487.339388	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"166704"	913.60844	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"607360"	1331.95314	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1099737"	495.26374	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"156834"	457.307858	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"595298"	666.480208	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1083212"	248.135508	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1108161"	497.278292	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1347826"	497.365907	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1020935"	501.405076	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1537764"	502.398708	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"998744"	251.206176	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1601876"	503.313328	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1424378"	533.344838	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1160131"	271.719451	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1711870"	550.371385	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1636951"	555.32678	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1574423"	571.30072	"C05458"	"7alpha12alpha-Dihydroxy-5alpha-cholestan-3-one"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"803698"	1197.4235	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M"	0
"988168"	1178.40511	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H2O-H"	-19.01839
"70941"	797.275057333333	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-3H"	-3.021828
"508321"	1196.416224	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-3H"	-3.021828
"891589"	398.133890666667	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-3H"	-3.021828
"7976"	1196.416224	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H"	-2.014552
"449727"	1795.127974	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H"	-2.014552
"827525"	597.704474	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H"	-2.014552
"88610"	2393.839724	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-H"	-1.007276
"530358"	3591.263224	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-H"	-1.007276
"902695"	1196.416224	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H"	-1.007276
"54878"	2410.866271	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H+NH4"	16.019271
"496627"	3608.289771	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H+NH4"	16.019271
"873335"	1213.442771	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H+NH4"	16.019271
"35767"	2415.821666	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H+Na"	20.974666
"479701"	3613.245166	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H+Na"	20.974666
"857505"	1218.398166	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H+Na"	20.974666
"1621204"	1218.398166	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na-2H"	20.974666
"97368"	1214.404563	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-H+Cl"	33.962126
"539848"	1813.116313	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-H+Cl"	33.962126
"931177"	615.692813	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+Cl"	33.962126
"277389"	2429.816402	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Cl"	34.969402
"669816"	3627.239902	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+Cl"	34.969402
"1284407"	1232.392902	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl"	34.969402
"29516"	2431.795606	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M-2H+K"	36.948606
"467618"	3629.219106	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M-2H+K"	36.948606
"837767"	1234.372106	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-2H+K"	36.948606
"1563444"	1234.372106	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K-2H"	36.948606
"951328"	1242.421694	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+HCOOH"	44.998194
"365533"	2439.845201	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+HCOOH-H"	44.998201
"350145"	2453.860851	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Hac-H"	59.013851
"1497886"	1256.437351	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Hac-H"	59.013851
"961053"	1264.403651	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+NaCOOH"	66.980151
"115428"	1232.392902	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2Cl"	69.938804
"559364"	1831.104652	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2Cl"	69.938804
"1028163"	633.681152	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2Cl"	69.938804
"1251022"	1276.342385	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Br"	78.918885
"1314561"	1278.398372	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl+HCOOH"	80.974872
"1330964"	1300.380329	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl+NaCOOH"	102.956829
"916557"	1310.409086	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M-H+CF3COOH"	112.985586
"1292171"	1346.385764	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Cl+CF3COOH"	148.962264
"1369238"	1162.410824	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H-2H2O"	-35.012676
"1384549"	1180.4208	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H-H2O"	-17.0027
"295173"	2395.854276	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H"	1.007276
"683220"	3593.277776	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H"	1.007276
"1365037"	1198.430776	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H"	1.007276
"137203"	1198.430776	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2H"	2.014552
"577487"	1797.142526	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2H"	2.014552
"1049569"	599.719026	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2H"	2.014552
"216742"	799.289609333333	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+3H"	3.021828
"654482"	1198.430776	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+3H"	3.021828
"1167504"	400.148442666667	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+3H"	3.021828
"429683"	2412.880823	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+NH4"	18.033823
"789585"	3610.304323	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+NH4"	18.033823
"1684090"	1215.457323	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+NH4"	18.033823
"334191"	1206.9440495	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H+NH4"	19.041099
"725885"	1805.6557995	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H+NH4"	19.041099
"1485901"	608.2322995	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+NH4"	19.041099
"395833"	2417.836218	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Na"	22.989218
"763388"	3615.259718	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+Na"	22.989218
"1612580"	1220.412718	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na"	22.989218
"320430"	1209.421747	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H+Na"	23.996494
"707869"	1808.133497	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H+Na"	23.996494
"1463512"	610.709997	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+Na"	23.996494
"1055540"	407.475756666667	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2H+Na"	25.00377
"1258315"	1230.456986	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+CH3OH+H"	33.033486
"380541"	2433.810158	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+K"	38.963158
"746645"	3631.233658	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+K"	38.963158
"1547601"	1236.386658	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K"	38.963158
"306965"	1217.408717	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+H+K"	39.970434
"700482"	1816.120467	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+H+K"	39.970434
"1449929"	618.696967	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+K"	39.970434
"240718"	2436.880826	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+ACN+H"	42.033826
"1210510"	1239.457326	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+ACN+H"	42.033826
"1199498"	620.232301	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+ACN+2H"	43.041102
"195650"	2439.81816	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2Na-H"	44.97116
"631929"	3637.24166	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2Na-H"	44.97116
"1137626"	1242.39466	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2Na-H"	44.97116
"183104"	1220.412718	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2Na"	45.978436
"620477"	1819.124468	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2Na"	45.978436
"1118876"	621.700968	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2Na"	45.978436
"1404226"	414.803070666667	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+2Na"	46.985712
"1434518"	1244.436246	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+HCOOH"	47.012746
"223847"	1225.44574	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+3H2O+2H"	56.04448
"1512636"	1258.48829	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+IsoProp+H"	61.06479
"415974"	1228.399688	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+Na+K"	61.952376
"779156"	1827.111438	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+Na+K"	61.952376
"1672207"	629.687938	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na+K"	61.952376
"256901"	2458.862768	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+ACN+Na"	64.015768
"1227056"	1261.439268	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+ACN+Na"	64.015768
"1715585"	1261.462793	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+NH4+HCOOH"	64.039293
"1186778"	422.130384666667	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+3Na"	68.967654
"1656669"	1266.418188	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na+HCOOH"	68.994688
"167907"	2471.76604	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2K-H"	76.91904
"606376"	3669.18954	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2K-H"	76.91904
"1094170"	1274.34254	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2K-H"	76.91904
"155362"	1236.386658	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"2M+2K"	77.926316
"593826"	1835.098408	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"3M+2K"	77.926316
"1083323"	637.674908	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2K"	77.926316
"1108270"	1276.357092	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2K+H"	78.933592
"1349029"	1276.444707	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+DMSO+H"	79.021207
"1017558"	1280.483876	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2ACN+H"	83.060376
"1538965"	1281.477508	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+IsoProp+Na+H"	84.054008
"999949"	640.745576	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+2ACN+2H"	84.067652
"1597733"	1282.392128	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K+HCOOH"	84.968628
"1421208"	1312.423638	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+H+CF3COOH"	115.000138
"1159149"	661.258851	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+3ACN+2H"	125.094202
"1710886"	1329.450185	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+NH4+CF3COOH"	132.026685
"1638883"	1334.40558	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+Na+CF3COOH"	136.98208
"1575626"	1350.37952	"C05460"	"3alpha7alpha12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA"	"C48H78N7O20P3S"	"1197.4235"	"M+K+CF3COOH"	152.95602
"803808"	499.2968	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M"	0
"988278"	480.27841	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H2O-H"	-19.01839
"75427"	331.857257333333	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-3H"	-3.021828
"512806"	498.289524	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-3H"	-3.021828
"891701"	165.424990666667	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-3H"	-3.021828
"12462"	498.289524	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H"	-2.014552
"453119"	747.937924	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H"	-2.014552
"829822"	248.641124	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H"	-2.014552
"92856"	997.586324	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-H"	-1.007276
"530472"	1496.883124	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-H"	-1.007276
"909252"	498.289524	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H"	-1.007276
"58269"	1014.612871	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H+NH4"	16.019271
"500991"	1513.909671	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H+NH4"	16.019271
"876725"	515.316071	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H+NH4"	16.019271
"43172"	1019.568266	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H+Na"	20.974666
"480908"	1518.865066	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H+Na"	20.974666
"858711"	520.271466	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H+Na"	20.974666
"1628241"	520.271466	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na-2H"	20.974666
"105863"	516.277863	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-H+Cl"	33.962126
"542145"	765.926263	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-H+Cl"	33.962126
"934567"	266.629463	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+Cl"	33.962126
"277500"	1033.563002	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Cl"	34.969402
"667740"	1532.859802	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+Cl"	34.969402
"1279049"	534.266202	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl"	34.969402
"21605"	1035.542206	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H+K"	36.948606
"460074"	1534.839006	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H+K"	36.948606
"840065"	536.245406	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H+K"	36.948606
"1564648"	536.245406	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K-2H"	36.948606
"951439"	544.294994	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+HCOOH"	44.998194
"370382"	1043.591801	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+HCOOH-H"	44.998201
"353535"	1057.607451	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Hac-H"	59.013851
"1501276"	558.310651	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Hac-H"	59.013851
"964444"	566.276951	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+NaCOOH"	66.980151
"122100"	534.266202	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2Cl"	69.938804
"559475"	783.914602	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2Cl"	69.938804
"1032648"	284.617802	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2Cl"	69.938804
"1250039"	578.215685	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Br"	78.918885
"1314672"	580.271672	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl+HCOOH"	80.974872
"1331075"	602.253629	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl+NaCOOH"	102.956829
"917761"	612.282386	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+CF3COOH"	112.985586
"1292281"	648.259064	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl+CF3COOH"	148.962264
"1369348"	464.284124	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H-2H2O"	-35.012676
"1386846"	482.2941	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H-H2O"	-17.0027
"295283"	999.600876	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H"	1.007276
"681143"	1498.897676	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H"	1.007276
"1365518"	500.304076	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H"	1.007276
"138405"	500.304076	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2H"	2.014552
"577597"	749.952476	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2H"	2.014552
"1050044"	250.655676	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2H"	2.014552
"217578"	333.871809333333	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+3H"	3.021828
"654956"	500.304076	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+3H"	3.021828
"1167614"	167.439542666667	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+3H"	3.021828
"433073"	1016.627423	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+NH4"	18.033823
"790059"	1515.924223	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+NH4"	18.033823
"1688213"	517.330623	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+NH4"	18.033823
"335394"	508.8173495	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H+NH4"	19.041099
"728910"	758.4657495	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H+NH4"	19.041099
"1486011"	259.1689495	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+NH4"	19.041099
"395944"	1021.582818	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Na"	22.989218
"764592"	1520.879618	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+Na"	22.989218
"1607226"	522.286018	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na"	22.989218
"316168"	511.295047	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H+Na"	23.996494
"709681"	760.943447	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H+Na"	23.996494
"1463501"	261.646647	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+Na"	23.996494
"1056745"	174.766856666667	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2H+Na"	25.00377
"1258187"	532.330286	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+CH3OH+H"	33.033486
"382475"	1037.556758	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+K"	38.963158
"746756"	1536.853558	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+K"	38.963158
"1549900"	538.259958	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K"	38.963158
"305984"	519.282017	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H+K"	39.970434
"698405"	768.930417	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H+K"	39.970434
"1450038"	269.633617	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+K"	39.970434
"238641"	1040.627426	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+ACN+H"	42.033826
"1217912"	541.330626	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+ACN+H"	42.033826
"1203985"	271.168951	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+ACN+2H"	43.041102
"197949"	1043.56476	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2Na-H"	44.97116
"636415"	1542.86156	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2Na-H"	44.97116
"1138830"	544.26796	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2Na-H"	44.97116
"183214"	522.286018	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2Na"	45.978436
"620587"	771.934418	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2Na"	45.978436
"1125186"	272.637618	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2Na"	45.978436
"1400689"	182.094170666667	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+2Na"	46.985712
"1432440"	546.309546	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+HCOOH"	47.012746
"226148"	527.31904	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+3H2O+2H"	56.04448
"1512020"	560.36159	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+IsoProp+H"	61.06479
"416084"	530.272988	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Na+K"	61.952376
"778173"	779.921388	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+Na+K"	61.952376
"1675597"	280.624588	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na+K"	61.952376
"255556"	1062.609368	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+ACN+Na"	64.015768
"1228262"	563.312568	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+ACN+Na"	64.015768
"1713503"	563.336093	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+NH4+HCOOH"	64.039293
"1190169"	189.421484666667	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+3Na"	68.967654
"1663341"	568.291488	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na+HCOOH"	68.994688
"169842"	1075.51264	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2K-H"	76.91904
"608674"	1574.80944	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2K-H"	76.91904
"1094280"	576.21584	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2K-H"	76.91904
"153283"	538.259958	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2K"	77.926316
"590656"	787.908358	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2K"	77.926316
"1083557"	288.611558	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2K"	77.926316
"1113845"	578.230392	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2K+H"	78.933592
"1346951"	578.318007	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+DMSO+H"	79.021207
"1014386"	582.357176	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2ACN+H"	83.060376
"1534701"	583.350808	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+IsoProp+Na+H"	84.054008
"1002974"	291.682226	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2ACN+2H"	84.067652
"1600758"	584.265428	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K+HCOOH"	84.968628
"1426785"	614.296938	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+CF3COOH"	115.000138
"1160352"	312.195501	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+3ACN+2H"	125.094202
"1709902"	631.323485	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+NH4+CF3COOH"	132.026685
"1638993"	636.27888	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na+CF3COOH"	136.98208
"1575736"	652.25282	"C05463"	"Taurodeoxycholate;Taurodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K+CF3COOH"	152.95602
"805011"	449.3141	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M"	0
"986201"	430.29571	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-H2O-H"	-19.01839
"75537"	298.535457333333	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M-3H"	-3.021828
"511821"	448.306824	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M-3H"	-3.021828
"893995"	148.764090666667	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-3H"	-3.021828
"13667"	448.306824	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M-2H"	-2.014552
"453226"	672.963874	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M-2H"	-2.014552
"829932"	223.649774	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-2H"	-2.014552
"94182"	897.620924	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M-H"	-1.007276
"532525"	1346.935024	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M-H"	-1.007276
"909844"	448.306824	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-H"	-1.007276
"61295"	914.647471	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M-2H+NH4"	16.019271
"497940"	1363.961571	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M-2H+NH4"	16.019271
"874648"	465.333371	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-2H+NH4"	16.019271
"42916"	919.602866	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M-2H+Na"	20.974666
"481018"	1368.916966	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M-2H+Na"	20.974666
"859551"	470.288766	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-2H+Na"	20.974666
"1629444"	470.288766	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Na-2H"	20.974666
"104880"	466.295163	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M-H+Cl"	33.962126
"542255"	690.952213	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M-H+Cl"	33.962126
"935771"	241.638113	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-H+Cl"	33.962126
"277610"	933.597602	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+Cl"	34.969402
"671129"	1382.911702	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+Cl"	34.969402
"1281345"	484.283502	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Cl"	34.969402
"22808"	935.576806	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M-2H+K"	36.948606
"459091"	1384.890906	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M-2H+K"	36.948606
"840175"	486.262706	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-2H+K"	36.948606
"1565851"	486.262706	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+K-2H"	36.948606
"952642"	494.312294	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-H+HCOOH"	44.998194
"370856"	943.626401	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+HCOOH-H"	44.998201
"354738"	957.642051	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+Hac-H"	59.013851
"1503573"	508.327951	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Hac-H"	59.013851
"968927"	516.294251	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-H+NaCOOH"	66.980151
"122210"	484.283502	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+2Cl"	69.938804
"562864"	708.940552	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+2Cl"	69.938804
"1034944"	259.626452	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2Cl"	69.938804
"1253429"	528.232985	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Br"	78.918885
"1316969"	530.288972	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Cl+HCOOH"	80.974872
"1333009"	552.270929	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Cl+NaCOOH"	102.956829
"922975"	562.299686	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M-H+CF3COOH"	112.985586
"1296765"	598.276364	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Cl+CF3COOH"	148.962264
"1372738"	414.301424	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H-2H2O"	-35.012676
"1392423"	432.3114	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H-H2O"	-17.0027
"294299"	899.635476	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+H"	1.007276
"682346"	1348.949576	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+H"	1.007276
"1365626"	450.321376	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H"	1.007276
"139241"	450.321376	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+2H"	2.014552
"577707"	674.978426	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+2H"	2.014552
"1050155"	225.664326	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2H"	2.014552
"217692"	300.550009333333	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+3H"	3.021828
"655066"	450.321376	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+3H"	3.021828
"1169911"	150.778642666667	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+3H"	3.021828
"433183"	916.662023	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+NH4"	18.033823
"791992"	1365.976123	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+NH4"	18.033823
"1688323"	467.347923	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+NH4"	18.033823
"338785"	458.8346495	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+H+NH4"	19.041099
"733394"	683.4916995	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+H+NH4"	19.041099
"1489767"	234.1775995	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H+NH4"	19.041099
"397146"	921.617418	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+Na"	22.989218
"764701"	1370.931518	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+Na"	22.989218
"1607335"	472.303318	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Na"	22.989218
"318466"	461.312347	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+H+Na"	23.996494
"709790"	685.969397	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+H+Na"	23.996494
"1463611"	236.655297	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H+Na"	23.996494
"1053818"	158.105956666667	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2H+Na"	25.00377
"1257806"	482.347586	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+CH3OH+H"	33.033486
"384772"	937.591358	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+K"	38.963158
"743581"	1386.905458	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+K"	38.963158
"1551103"	488.277258	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+K"	38.963158
"308280"	469.299317	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+H+K"	39.970434
"697420"	693.956367	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+H+K"	39.970434
"1447595"	244.642267	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H+K"	39.970434
"237654"	940.662026	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+ACN+H"	42.033826
"1214742"	491.347926	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+ACN+H"	42.033826
"1204093"	246.177601	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+ACN+2H"	43.041102
"194776"	943.59936	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+2Na-H"	44.97116
"636524"	1392.91346	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+2Na-H"	44.97116
"1141125"	494.28526	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2Na-H"	44.97116
"185510"	472.303318	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+2Na"	45.978436
"621790"	696.960368	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+2Na"	45.978436
"1123109"	247.646268	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2Na"	45.978436
"1400797"	165.433270666667	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H+2Na"	46.985712
"1431820"	496.326846	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H+HCOOH"	47.012746
"224071"	477.33634	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+3H2O+2H"	56.04448
"1511036"	510.37889	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+IsoProp+H"	61.06479
"416194"	480.290288	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+Na+K"	61.952376
"778283"	704.947338	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+Na+K"	61.952376
"1675706"	255.633238	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Na+K"	61.952376
"256758"	962.643968	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+ACN+Na"	64.015768
"1231655"	513.329868	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+ACN+Na"	64.015768
"1713613"	513.353393	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+NH4+HCOOH"	64.039293
"1190279"	172.760584666667	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+3Na"	68.967654
"1663451"	518.308788	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Na+HCOOH"	68.994688
"170316"	975.54724	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+2K-H"	76.91904
"608783"	1424.86134	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+2K-H"	76.91904
"1095483"	526.23314	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2K-H"	76.91904
"153393"	488.277258	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"2M+2K"	77.926316
"592952"	712.934308	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"3M+2K"	77.926316
"1081839"	263.620208	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2K"	77.926316
"1110673"	528.247692	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2K+H"	78.933592
"1348152"	528.335307	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+DMSO+H"	79.021207
"1016682"	532.374476	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2ACN+H"	83.060376
"1534808"	533.368108	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+IsoProp+Na+H"	84.054008
"995788"	266.690876	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+2ACN+2H"	84.067652
"1597948"	534.282728	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+K+HCOOH"	84.968628
"1425799"	564.314238	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+H+CF3COOH"	115.000138
"1160462"	287.204151	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+3ACN+2H"	125.094202
"1710012"	581.340785	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+NH4+CF3COOH"	132.026685
"1640197"	586.29618	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+Na+CF3COOH"	136.98208
"1576940"	602.27012	"C05464"	"Glycodeoxycholate;Glycodeoxycholic acid;3alpha12alpha-Dihydroxy-5beta-cholan-24-oylglycine"	"C26H43NO5"	"449.3141"	"M+K+CF3COOH"	152.95602
"813869"	499.2968	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M"	0
"989615"	480.27841	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-H2O-H"	-19.01839
"75647"	331.857257333333	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M-3H"	-3.021828
"511933"	498.289524	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M-3H"	-3.021828
"893987"	165.424990666667	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-3H"	-3.021828
"10497"	498.289524	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M-2H"	-2.014552
"453336"	747.937924	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M-2H"	-2.014552
"830042"	248.641124	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-2H"	-2.014552
"93568"	997.586324	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M-H"	-1.007276
"530690"	1496.883124	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M-H"	-1.007276
"910198"	498.289524	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-H"	-1.007276
"62423"	1014.612871	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M-2H+NH4"	16.019271
"501819"	1513.909671	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M-2H+NH4"	16.019271
"874758"	515.316071	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-2H+NH4"	16.019271
"41568"	1019.568266	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M-2H+Na"	20.974666
"485503"	1518.865066	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M-2H+Na"	20.974666
"861118"	520.271466	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-2H+Na"	20.974666
"1628462"	520.271466	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Na-2H"	20.974666
"101711"	516.277863	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M-H+Cl"	33.962126
"544553"	765.926263	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M-H+Cl"	33.962126
"936974"	266.629463	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-H+Cl"	33.962126
"277721"	1033.563002	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+Cl"	34.969402
"671969"	1532.859802	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+Cl"	34.969402
"1281455"	534.266202	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Cl"	34.969402
"26199"	1035.542206	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M-2H+K"	36.948606
"465761"	1534.839006	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M-2H+K"	36.948606
"840285"	536.245406	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-2H+K"	36.948606
"1563774"	536.245406	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+K-2H"	36.948606
"952752"	544.294994	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-H+HCOOH"	44.998194
"373153"	1043.591801	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+HCOOH-H"	44.998201
"355943"	1057.607451	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+Hac-H"	59.013851
"1503683"	558.310651	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Hac-H"	59.013851
"970131"	566.276951	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-H+NaCOOH"	66.980151
"122320"	534.266202	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+2Cl"	69.938804
"565161"	783.914602	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+2Cl"	69.938804
"1036148"	284.617802	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2Cl"	69.938804
"1255726"	578.215685	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Br"	78.918885
"1317809"	580.271672	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Cl+HCOOH"	80.974872
"1332389"	602.253629	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Cl+NaCOOH"	102.956829
"922355"	612.282386	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M-H+CF3COOH"	112.985586
"1300155"	648.259064	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Cl+CF3COOH"	148.962264
"1371755"	464.284124	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H-2H2O"	-35.012676
"1392533"	482.2941	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H-H2O"	-17.0027
"295504"	999.600876	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+H"	1.007276
"682456"	1498.897676	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+H"	1.007276
"1363182"	500.304076	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H"	1.007276
"138258"	500.304076	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+2H"	2.014552
"577817"	749.952476	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+2H"	2.014552
"1049898"	250.655676	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2H"	2.014552
"216706"	333.871809333333	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+3H"	3.021828
"658702"	500.304076	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+3H"	3.021828
"1170021"	167.439542666667	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+3H"	3.021828
"433293"	1016.627423	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+NH4"	18.033823
"798662"	1515.924223	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+NH4"	18.033823
"1691713"	517.330623	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+NH4"	18.033823
"337801"	508.8173495	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+H+NH4"	19.041099
"735690"	758.4657495	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+H+NH4"	19.041099
"1490242"	259.1689495	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H+NH4"	19.041099
"407955"	1021.582818	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+Na"	22.989218
"760440"	1520.879618	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+Na"	22.989218
"1614005"	522.286018	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Na"	22.989218
"326229"	511.295047	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+H+Na"	23.996494
"712089"	760.943447	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+H+Na"	23.996494
"1462627"	261.646647	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H+Na"	23.996494
"1058058"	174.766856666667	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2H+Na"	25.00377
"1258036"	532.330286	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+CH3OH+H"	33.033486
"381601"	1037.556758	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+K"	38.963158
"745878"	1536.853558	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+K"	38.963158
"1550119"	538.259958	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+K"	38.963158
"307297"	519.282017	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+H+K"	39.970434
"694249"	768.930417	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+H+K"	39.970434
"1449162"	269.633617	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H+K"	39.970434
"241048"	1040.627426	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+ACN+H"	42.033826
"1218134"	541.330626	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+ACN+H"	42.033826
"1207484"	271.168951	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+ACN+2H"	43.041102
"200355"	1043.56476	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+2Na-H"	44.97116
"639915"	1542.86156	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+2Na-H"	44.97116
"1143423"	544.26796	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2Na-H"	44.97116
"182340"	522.286018	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+2Na"	45.978436
"618619"	771.934418	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+2Na"	45.978436
"1121032"	272.637618	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2Na"	45.978436
"1402000"	182.094170666667	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H+2Na"	46.985712
"1433384"	546.309546	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H+HCOOH"	47.012746
"224181"	527.31904	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+3H2O+2H"	56.04448
"1511510"	560.36159	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+IsoProp+H"	61.06479
"417397"	530.272988	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+Na+K"	61.952376
"779486"	779.921388	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+Na+K"	61.952376
"1672536"	280.624588	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Na+K"	61.952376
"255775"	1062.609368	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+ACN+Na"	64.015768
"1233952"	563.312568	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+ACN+Na"	64.015768
"1715181"	563.336093	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+NH4+HCOOH"	64.039293
"1193305"	189.421484666667	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+3Na"	68.967654
"1665148"	568.291488	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Na+HCOOH"	68.994688
"170426"	1075.51264	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+2K-H"	76.91904
"609986"	1574.80944	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+2K-H"	76.91904
"1095594"	576.21584	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2K-H"	76.91904
"155448"	538.259958	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"2M+2K"	77.926316
"595739"	787.908358	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"3M+2K"	77.926316
"1081949"	288.611558	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2K"	77.926316
"1111876"	578.230392	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2K+H"	78.933592
"1350086"	578.318007	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+DMSO+H"	79.021207
"1020072"	582.357176	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2ACN+H"	83.060376
"1537106"	583.350808	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+IsoProp+Na+H"	84.054008
"996991"	291.682226	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+2ACN+2H"	84.067652
"1593682"	584.265428	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+K+HCOOH"	84.968628
"1425906"	614.296938	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+H+CF3COOH"	115.000138
"1162274"	312.195501	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+3ACN+2H"	125.094202
"1710121"	631.323485	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+NH4+CF3COOH"	132.026685
"1637027"	636.27888	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+Na+CF3COOH"	136.98208
"1574863"	652.25282	"C05465"	"Taurochenodeoxycholate;Taurochenodeoxycholic acid;Chenodeoxycholoyltaurine"	"C26H45NO6S"	"499.2968"	"M+K+CF3COOH"	152.95602
"816737"	449.3141	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M"	0
"988615"	430.29571	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-H2O-H"	-19.01839
"78199"	298.535457333333	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M-3H"	-3.021828
"515322"	448.306824	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M-3H"	-3.021828
"889845"	148.764090666667	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-3H"	-3.021828
"11700"	448.306824	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M-2H"	-2.014552
"455271"	672.963874	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M-2H"	-2.014552
"824687"	223.649774	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-2H"	-2.014552
"90147"	897.620924	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M-H"	-1.007276
"530802"	1346.935024	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M-H"	-1.007276
"909699"	448.306824	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-H"	-1.007276
"60787"	914.647471	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M-2H+NH4"	16.019271
"501929"	1363.961571	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M-2H+NH4"	16.019271
"877056"	465.333371	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-2H+NH4"	16.019271
"43866"	919.602866	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M-2H+Na"	20.974666
"479053"	1368.916966	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M-2H+Na"	20.974666
"863539"	470.288766	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-2H+Na"	20.974666
"1625293"	470.288766	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Na-2H"	20.974666
"101822"	466.295163	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M-H+Cl"	33.962126
"544663"	690.952213	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M-H+Cl"	33.962126
"938178"	241.638113	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-H+Cl"	33.962126
"281358"	933.597602	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+Cl"	34.969402
"675244"	1382.911702	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+Cl"	34.969402
"1288049"	484.283502	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Cl"	34.969402
"31097"	935.576806	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M-2H+K"	36.948606
"465871"	1384.890906	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M-2H+K"	36.948606
"839302"	486.262706	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-2H+K"	36.948606
"1563884"	486.262706	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+K-2H"	36.948606
"951769"	494.312294	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-H+HCOOH"	44.998194
"369984"	943.626401	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+HCOOH-H"	44.998201
"352771"	957.642051	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+Hac-H"	59.013851
"1503794"	508.327951	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Hac-H"	59.013851
"972429"	516.294251	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-H+NaCOOH"	66.980151
"120242"	484.283502	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+2Cl"	69.938804
"564177"	708.940552	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+2Cl"	69.938804
"1036263"	259.626452	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2Cl"	69.938804
"1254743"	528.232985	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Br"	78.918885
"1318283"	530.288972	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Cl+HCOOH"	80.974872
"1332502"	552.270929	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Cl+NaCOOH"	102.956829
"923196"	562.299686	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M-H+CF3COOH"	112.985586
"1301358"	598.276364	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Cl+CF3COOH"	148.962264
"1375145"	414.301424	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H-2H2O"	-35.012676
"1392642"	432.3114	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H-H2O"	-17.0027
"294521"	899.635476	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+H"	1.007276
"690591"	1348.949576	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+H"	1.007276
"1364754"	450.321376	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H"	1.007276
"140560"	450.321376	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+2H"	2.014552
"576835"	674.978426	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+2H"	2.014552
"1050374"	225.664326	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2H"	2.014552
"217544"	300.550009333333	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+3H"	3.021828
"656745"	450.321376	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+3H"	3.021828
"1171224"	150.778642666667	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+3H"	3.021828
"430123"	916.662023	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+NH4"	18.033823
"795492"	1365.976123	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+NH4"	18.033823
"1688543"	467.347923	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+NH4"	18.033823
"336819"	458.8346495	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+H+NH4"	19.041099
"734707"	683.4916995	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+H+NH4"	19.041099
"1485248"	234.1775995	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H+NH4"	19.041099
"392837"	921.617418	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+Na"	22.989218
"755083"	1370.931518	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+Na"	22.989218
"1609741"	472.303318	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Na"	22.989218
"325245"	461.312347	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+H+Na"	23.996494
"710012"	685.969397	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+H+Na"	23.996494
"1464923"	236.655297	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H+Na"	23.996494
"1053187"	158.105956666667	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2H+Na"	25.00377
"1257221"	482.347586	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+CH3OH+H"	33.033486
"386086"	937.591358	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+K"	38.963158
"745991"	1386.905458	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+K"	38.963158
"1550230"	488.277258	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+K"	38.963158
"305220"	469.299317	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+H+K"	39.970434
"695089"	693.956367	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+H+K"	39.970434
"1449639"	244.642267	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H+K"	39.970434
"241157"	940.662026	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+ACN+H"	42.033826
"1217149"	491.347926	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+ACN+H"	42.033826
"1202127"	246.177601	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+ACN+2H"	43.041102
"193904"	943.59936	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+2Na-H"	44.97116
"636744"	1392.91346	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+2Na-H"	44.97116
"1141345"	494.28526	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2Na-H"	44.97116
"183542"	472.303318	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+2Na"	45.978436
"616905"	696.960368	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+2Na"	45.978436
"1121142"	247.646268	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2Na"	45.978436
"1399926"	165.433270666667	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H+2Na"	46.985712
"1431673"	496.326846	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H+HCOOH"	47.012746
"223197"	477.33634	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+3H2O+2H"	56.04448
"1510163"	510.37889	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+IsoProp+H"	61.06479
"417507"	480.290288	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+Na+K"	61.952376
"776316"	704.947338	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+Na+K"	61.952376
"1670461"	255.633238	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Na+K"	61.952376
"255889"	962.643968	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+ACN+Na"	64.015768
"1227866"	513.329868	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+ACN+Na"	64.015768
"1715295"	513.353393	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+NH4+HCOOH"	64.039293
"1193177"	172.760584666667	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+3Na"	68.967654
"1663676"	518.308788	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Na+HCOOH"	68.994688
"172649"	975.54724	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+2K-H"	76.91904
"612046"	1424.86134	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+2K-H"	76.91904
"1099600"	526.23314	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2K-H"	76.91904
"157056"	488.277258	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"2M+2K"	77.926316
"593174"	712.934308	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"3M+2K"	77.926316
"1083032"	263.620208	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2K"	77.926316
"1111989"	528.247692	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2K+H"	78.933592
"1346187"	528.335307	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+DMSO+H"	79.021207
"1020552"	532.374476	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2ACN+H"	83.060376
"1535030"	533.368108	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+IsoProp+Na+H"	84.054008
"998197"	266.690876	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+2ACN+2H"	84.067652
"1600357"	534.282728	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+K+HCOOH"	84.968628
"1427114"	564.314238	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+H+CF3COOH"	115.000138
"1158496"	287.204151	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+3ACN+2H"	125.094202
"1709141"	581.340785	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+NH4+CF3COOH"	132.026685
"1637137"	586.29618	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+Na+CF3COOH"	136.98208
"1577163"	602.27012	"C05466"	"Glycochenodeoxycholate;Glycochenodeoxycholic acid;Chenodeoxyglycocholate"	"C26H43NO5"	"449.3141"	"M+K+CF3COOH"	152.95602
"804248"	1213.4184	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M"	0
"985440"	1194.40001	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-H2O-H"	-19.01839
"75872"	807.938324	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M-3H"	-3.021828
"514336"	1212.411124	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M-3H"	-3.021828
"888860"	403.465524	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-3H"	-3.021828
"6342"	1212.411124	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M-2H"	-2.014552
"451369"	1819.120324	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M-2H"	-2.014552
"822610"	605.701924	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-2H"	-2.014552
"86977"	2425.829524	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M-H"	-1.007276
"527633"	3639.247924	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M-H"	-1.007276
"903249"	1212.411124	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-H"	-1.007276
"59804"	2442.856071	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M-2H+NH4"	16.019271
"501187"	3656.274471	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M-2H+NH4"	16.019271
"874979"	1229.437671	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-2H+NH4"	16.019271
"34499"	2447.811466	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M-2H+Na"	20.974666
"474059"	3661.229866	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M-2H+Na"	20.974666
"854778"	1234.393066	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-2H+Na"	20.974666
"1622121"	1234.393066	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Na-2H"	20.974666
"98651"	1230.399463	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M-H+Cl"	33.962126
"540399"	1837.108663	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M-H+Cl"	33.962126
"936102"	623.690263	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-H+Cl"	33.962126
"280493"	2461.806202	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+Cl"	34.969402
"672553"	3675.224602	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+Cl"	34.969402
"1281675"	1248.387802	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Cl"	34.969402
"30309"	2463.785406	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M-2H+K"	36.948606
"464888"	3677.203806	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M-2H+K"	36.948606
"836132"	1250.367006	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-2H+K"	36.948606
"1563994"	1250.367006	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+K-2H"	36.948606
"952971"	1258.416594	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-H+HCOOH"	44.998194
"369001"	2471.835001	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+HCOOH-H"	44.998201
"350694"	2485.850651	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+Hac-H"	59.013851
"1501717"	1272.432251	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Hac-H"	59.013851
"972539"	1280.398551	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-H+NaCOOH"	66.980151
"119258"	1248.387802	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+2Cl"	69.938804
"563194"	1855.097002	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+2Cl"	69.938804
"1036009"	641.678602	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2Cl"	69.938804
"1255946"	1292.337285	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Br"	78.918885
"1317666"	1294.393272	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Cl+HCOOH"	80.974872
"1332975"	1316.375229	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Cl+NaCOOH"	102.956829
"921482"	1326.403986	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M-H+CF3COOH"	112.985586
"1301833"	1362.380664	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Cl+CF3COOH"	148.962264
"1378535"	1178.405724	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H-2H2O"	-35.012676
"1392752"	1196.4157	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H-H2O"	-17.0027
"293537"	2427.844076	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+H"	1.007276
"687783"	3641.262476	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+H"	1.007276
"1362310"	1214.425676	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H"	1.007276
"141382"	1214.425676	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+2H"	2.014552
"575851"	1821.134876	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+2H"	2.014552
"1043922"	607.716476	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2H"	2.014552
"218018"	809.952876	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+3H"	3.021828
"648836"	1214.425676	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+3H"	3.021828
"1166960"	405.480076	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+3H"	3.021828
"425859"	2444.870623	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+NH4"	18.033823
"789042"	3658.289023	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+NH4"	18.033823
"1685373"	1231.452223	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+NH4"	18.033823
"331824"	1222.9389495	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+H+NH4"	19.041099
"728256"	1829.6481495	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+H+NH4"	19.041099
"1478069"	616.2297495	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H+NH4"	19.041099
"393707"	2449.826018	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+Na"	22.989218
"754261"	3663.244418	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+Na"	22.989218
"1602852"	1236.407618	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Na"	22.989218
"314784"	1225.416647	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+H+Na"	23.996494
"707567"	1832.125847	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+H+Na"	23.996494
"1462113"	618.707447	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H+Na"	23.996494
"1053902"	412.80739	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2H+Na"	25.00377
"1257090"	1246.451886	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+CH3OH+H"	33.033486
"377802"	2465.799958	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+K"	38.963158
"740995"	3679.218358	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+K"	38.963158
"1544872"	1252.381558	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+K"	38.963158
"302414"	1233.403617	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+H+K"	39.970434
"692644"	1840.112817	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+H+K"	39.970434
"1447923"	626.694417	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H+K"	39.970434
"239443"	2468.870626	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+ACN+H"	42.033826
"1213979"	1255.452226	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+ACN+H"	42.033826
"1201141"	628.229751	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+ACN+2H"	43.041102
"191827"	2471.80796	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+2Na-H"	44.97116
"633573"	3685.22636	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+2Na-H"	44.97116
"1133432"	1258.38956	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2Na-H"	44.97116
"177091"	1236.407618	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+2Na"	45.978436
"615193"	1843.116818	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+2Na"	45.978436
"1117972"	629.698418	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2Na"	45.978436
"1399667"	420.134704	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H+2Na"	46.985712
"1430688"	1260.431146	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H+HCOOH"	47.012746
"221120"	1241.44064	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+3H2O+2H"	56.04448
"1509179"	1274.48319	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+IsoProp+H"	61.06479
"417617"	1244.394588	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+Na+K"	61.952376
"771322"	1851.103788	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+Na+K"	61.952376
"1666558"	637.685388	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Na+K"	61.952376
"251865"	2490.852568	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+ACN+Na"	64.015768
"1226275"	1277.434168	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+ACN+Na"	64.015768
"1713213"	1277.457693	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+NH4+HCOOH"	64.039293
"1193165"	427.462018	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+3Na"	68.967654
"1662692"	1282.413088	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Na+HCOOH"	68.994688
"172596"	2503.75584	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+2K-H"	76.91904
"611912"	3717.17424	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+2K-H"	76.91904
"1099710"	1290.33744	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2K-H"	76.91904
"156929"	1252.381558	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"2M+2K"	77.926316
"590004"	1859.090758	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"3M+2K"	77.926316
"1083997"	645.672358	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2K"	77.926316
"1107724"	1292.351992	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2K+H"	78.933592
"1344111"	1292.439607	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+DMSO+H"	79.021207
"1020294"	1296.478776	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2ACN+H"	83.060376
"1534047"	1297.472408	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+IsoProp+Na+H"	84.054008
"998307"	648.743026	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+2ACN+2H"	84.067652
"1600467"	1298.387028	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+K+HCOOH"	84.968628
"1425035"	1328.418538	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+H+CF3COOH"	115.000138
"1156419"	669.256301	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+3ACN+2H"	125.094202
"1705971"	1345.445085	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+NH4+CF3COOH"	132.026685
"1637247"	1350.40048	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+Na+CF3COOH"	136.98208
"1577273"	1366.37442	"C05467"	"3alpha7alpha12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA;3alpha7alpha12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA"	"C48H78N7O21P3S"	"1213.4184"	"M+K+CF3COOH"	152.95602
"804358"	532.307	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M"	0
"984456"	513.28861	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-H2O-H"	-19.01839
"74889"	353.864057333333	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M-3H"	-3.021828
"511166"	531.299724	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M-3H"	-3.021828
"885690"	176.428390666667	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-3H"	-3.021828
"6452"	531.299724	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M-2H"	-2.014552
"452572"	797.453224	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M-2H"	-2.014552
"824906"	265.146224	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-2H"	-2.014552
"83806"	1063.606724	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M-H"	-1.007276
"526649"	1595.913724	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M-H"	-1.007276
"903358"	531.299724	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-H"	-1.007276
"59914"	1080.633271	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M-2H+NH4"	16.019271
"491821"	1612.940271	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M-2H+NH4"	16.019271
"873996"	548.326271	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-2H+NH4"	16.019271
"44815"	1085.588666	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M-2H+Na"	20.974666
"475994"	1617.895666	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M-2H+Na"	20.974666
"853795"	553.281666	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-2H+Na"	20.974666
"1622231"	553.281666	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Na-2H"	20.974666
"97668"	549.288063	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M-H+Cl"	33.962126
"540509"	815.441563	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M-H+Cl"	33.962126
"936212"	283.134563	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-H+Cl"	33.962126
"278781"	1099.583402	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+Cl"	34.969402
"671570"	1631.890402	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+Cl"	34.969402
"1282879"	567.276402	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Cl"	34.969402
"30542"	1101.562606	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M-2H+K"	36.948606
"464998"	1633.869606	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M-2H+K"	36.948606
"836242"	569.255606	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-2H+K"	36.948606
"1564104"	569.255606	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+K-2H"	36.948606
"953081"	577.305194	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-H+HCOOH"	44.998194
"366922"	1109.612201	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+HCOOH-H"	44.998201
"348981"	1123.627851	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+Hac-H"	59.013851
"1501826"	591.320851	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Hac-H"	59.013851
"973378"	599.287151	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-H+NaCOOH"	66.980151
"118275"	567.276402	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+2Cl"	69.938804
"563304"	833.429902	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+2Cl"	69.938804
"1036119"	301.122902	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2Cl"	69.938804
"1255330"	611.225885	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Br"	78.918885
"1317412"	613.281872	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Cl+HCOOH"	80.974872
"1332722"	635.263829	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Cl+NaCOOH"	102.956829
"920864"	645.292586	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M-H+CF3COOH"	112.985586
"1299029"	681.269264	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Cl+CF3COOH"	148.962264
"1379740"	497.294324	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H-2H2O"	-35.012676
"1390675"	515.3043	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H-H2O"	-17.0027
"292554"	1065.621276	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+H"	1.007276
"688257"	1597.928276	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+H"	1.007276
"1363149"	533.314276	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H"	1.007276
"140659"	533.314276	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+2H"	2.014552
"574868"	799.467776	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+2H"	2.014552
"1043668"	267.160776	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2H"	2.014552
"214848"	355.878609333333	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+3H"	3.021828
"651133"	533.314276	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+3H"	3.021828
"1168164"	178.442942666667	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+3H"	3.021828
"428156"	1082.647823	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+NH4"	18.033823
"787329"	1614.954823	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+NH4"	18.033823
"1681957"	550.340823	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+NH4"	18.033823
"330839"	541.8275495	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+H+NH4"	19.041099
"723991"	807.9810495	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+H+NH4"	19.041099
"1477281"	275.6740495	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H+NH4"	19.041099
"393452"	1087.603218	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+Na"	22.989218
"754696"	1619.910218	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+Na"	22.989218
"1603274"	555.296218	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Na"	22.989218
"314333"	544.305247	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+H+Na"	23.996494
"707201"	810.458747	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+H+Na"	23.996494
"1462710"	278.151747	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H+Na"	23.996494
"1053768"	185.770256666667	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2H+Na"	25.00377
"1257268"	565.340486	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+CH3OH+H"	33.033486
"377908"	1103.577158	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+K"	38.963158
"741468"	1635.884158	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+K"	38.963158
"1544251"	571.270158	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+K"	38.963158
"298987"	552.292217	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+H+K"	39.970434
"691652"	818.445717	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+H+K"	39.970434
"1445961"	286.138717	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H+K"	39.970434
"237363"	1106.647826	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+ACN+H"	42.033826
"1212627"	574.340826	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+ACN+H"	42.033826
"1199062"	287.674051	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+ACN+2H"	43.041102
"191204"	1109.58516	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+2Na-H"	44.97116
"632953"	1641.89216	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+2Na-H"	44.97116
"1132811"	577.27816	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2Na-H"	44.97116
"174644"	555.296218	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+2Na"	45.978436
"616395"	821.449718	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+2Na"	45.978436
"1121362"	289.142718	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2Na"	45.978436
"1400142"	193.097570666667	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H+2Na"	46.985712
"1431890"	579.319746	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H+HCOOH"	47.012746
"221586"	560.32924	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+3H2O+2H"	56.04448
"1510377"	593.37179	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+IsoProp+H"	61.06479
"409331"	563.283188	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+Na+K"	61.952376
"771795"	829.436688	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+Na+K"	61.952376
"1667395"	297.129688	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Na+K"	61.952376
"253552"	1128.629768	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+ACN+Na"	64.015768
"1225851"	596.322768	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+ACN+Na"	64.015768
"1713191"	596.346293	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+NH4+HCOOH"	64.039293
"1191816"	200.424884666667	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+3Na"	68.967654
"1660615"	601.301688	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Na+HCOOH"	68.994688
"171852"	1141.53304	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+2K-H"	76.91904
"612225"	1673.84004	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+2K-H"	76.91904
"1099330"	609.22604	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2K-H"	76.91904
"156389"	571.270158	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"2M+2K"	77.926316
"589021"	837.423658	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"3M+2K"	77.926316
"1081187"	305.116658	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2K"	77.926316
"1107834"	611.240592	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2K+H"	78.933592
"1343128"	611.328207	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+DMSO+H"	79.021207
"1020651"	615.367376	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2ACN+H"	83.060376
"1537437"	616.361008	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+IsoProp+Na+H"	84.054008
"998417"	308.187326	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+2ACN+2H"	84.067652
"1600574"	617.275628	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+K+HCOOH"	84.968628
"1422959"	647.307138	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+H+CF3COOH"	115.000138
"1155434"	328.700601	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+3ACN+2H"	125.094202
"1702799"	664.333685	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+NH4+CF3COOH"	132.026685
"1638450"	669.28908	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+Na+CF3COOH"	136.98208
"1577383"	685.26302	"C05468"	"5beta-Cyprinolsulfate"	"C27H48O8S"	"532.307"	"M+K+CF3COOH"	152.95602
"804468"	362.2093	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M"	0
"984566"	343.19091	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"76092"	240.465590666667	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"511276"	361.202024	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"886893"	119.729157333333	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"9842"	361.202024	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"450495"	542.306674	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"818457"	180.097374	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"83917"	723.411324	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"527852"	1085.620624	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"904561"	361.202024	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"54558"	740.437871	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"493024"	1102.647171	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"870826"	378.228571	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"42007"	745.393266	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"475009"	1107.602566	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"854998"	383.183966	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1627811"	383.183966	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"99964"	379.190363	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"537339"	560.295013	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"933042"	198.085713	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"275973"	759.388002	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"669493"	1121.597302	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1278614"	397.178702	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"24452"	761.367206	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"462921"	1123.576506	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"836352"	399.157906	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1557650"	399.157906	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"945534"	407.207494	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"367032"	769.416801	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"354195"	783.432451	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1501936"	421.223151	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"967290"	429.189451	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"118383"	397.178702	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"562319"	578.283352	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1033305"	216.074052	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1252886"	441.128185	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1317156"	443.184172	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1328456"	465.166129	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"918421"	475.194886	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1299867"	511.171564	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1380943"	327.196624	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1395158"	345.2066	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"290473"	725.425876	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"685084"	1087.635176	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1364353"	363.216576	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"138702"	363.216576	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"577531"	544.321226	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1044872"	182.111926	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"211679"	242.480142666667	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"652336"	363.216576	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1168274"	121.743709333333	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"430453"	742.452423	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"792543"	1104.661723	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1688874"	380.243123	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"332775"	371.7298495	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"724829"	552.8344995	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1478282"	190.6251995	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"394291"	747.407818	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"755658"	1109.617118	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1603749"	385.198518	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"314881"	374.207547	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"707339"	555.312197	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1463429"	193.102897	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1053270"	129.071023333333	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1257377"	395.242786	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"377652"	763.381758	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"741942"	1125.591058	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1541806"	401.172458	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"298859"	382.194517	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"692131"	563.299167	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1445829"	201.089867	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"236377"	766.452426	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1213830"	404.243126	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1198808"	202.625201	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"193135"	769.38976	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"633062"	1131.59906	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1134380"	407.18046	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"175119"	385.198518	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"616505"	566.303168	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1117459"	204.093868	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1400253"	136.398337333333	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1433094"	409.222046	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"221696"	390.23154	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1510853"	423.27409	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"410171"	393.185488	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"771294"	574.290138	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1667259"	212.080838	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"252441"	788.434368	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1226733"	426.225068	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1712882"	426.248593	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1192538"	143.725651333333	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1664005"	431.203988	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"171596"	801.33764	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"611768"	1163.54694	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1098957"	439.12834	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"156785"	401.172458	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"590224"	582.277108	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1082637"	220.067808	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1111224"	441.142892	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1346517"	441.230507	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1015048"	445.269676	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1533174"	446.263308	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"999621"	223.138476	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1598498"	447.177928	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1424162"	477.209438	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1154450"	243.651751	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1702909"	494.235985	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1638560"	499.19138	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1571535"	515.16532	"C05469"	"17alpha21-Dihydroxy-5beta-pregnane-31120-trione;5beta-Pregnane-17alpha21-diol-31120-trione;45beta-Dihydrocortisone"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"807858"	364.225	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M"	0
"988322"	345.20661	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-H2O-H"	-19.01839
"75109"	241.809390666667	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M-3H"	-3.021828
"514666"	363.217724	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M-3H"	-3.021828
"885912"	120.401057333333	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-3H"	-3.021828
"8859"	363.217724	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M-2H"	-2.014552
"450607"	545.330224	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M-2H"	-2.014552
"825127"	181.105224	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-2H"	-2.014552
"84028"	727.442724	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M-H"	-1.007276
"523588"	1091.667724	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M-H"	-1.007276
"903578"	363.217724	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-H"	-1.007276
"52482"	744.469271	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M-2H+NH4"	16.019271
"492043"	1108.694271	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M-2H+NH4"	16.019271
"873123"	380.244271	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-2H+NH4"	16.019271
"43211"	749.424666	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M-2H+Na"	20.974666
"475121"	1113.649666	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M-2H+Na"	20.974666
"858389"	385.199666	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-2H+Na"	20.974666
"1629014"	385.199666	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Na-2H"	20.974666
"100074"	381.206063	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M-H+Cl"	33.962126
"541823"	563.318563	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M-H+Cl"	33.962126
"933152"	199.093563	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-H+Cl"	33.962126
"273895"	763.419402	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+Cl"	34.969402
"668509"	1127.644402	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+Cl"	34.969402
"1275444"	399.194402	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Cl"	34.969402
"25655"	765.398606	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M-2H+K"	36.948606
"463031"	1129.623606	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M-2H+K"	36.948606
"838649"	401.173606	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-2H+K"	36.948606
"1558125"	401.173606	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+K-2H"	36.948606
"948926"	409.223194	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-H+HCOOH"	44.998194
"367141"	773.448201	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+HCOOH-H"	44.998201
"352118"	787.463851	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+Hac-H"	59.013851
"1503139"	423.238851	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Hac-H"	59.013851
"966305"	431.205151	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-H+NaCOOH"	66.980151
"118492"	399.194402	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+2Cl"	69.938804
"552584"	581.306902	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+2Cl"	69.938804
"1033051"	217.081902	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2Cl"	69.938804
"1251175"	443.143885	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Br"	78.918885
"1316534"	445.199872	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Cl+HCOOH"	80.974872
"1330389"	467.181829	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Cl+NaCOOH"	102.956829
"917437"	477.210586	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M-H+CF3COOH"	112.985586
"1296331"	513.187264	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Cl+CF3COOH"	148.962264
"1374490"	329.212324	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H-2H2O"	-35.012676
"1391988"	347.2223	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H-H2O"	-17.0027
"289489"	729.457276	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+H"	1.007276
"681179"	1093.682276	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+H"	1.007276
"1365559"	365.232276	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H"	1.007276
"138811"	365.232276	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+2H"	2.014552
"576914"	547.344776	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+2H"	2.014552
"1043889"	183.119776	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2H"	2.014552
"209602"	243.823942666667	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+3H"	3.021828
"649160"	365.232276	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+3H"	3.021828
"1165105"	122.415609333333	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+3H"	3.021828
"426187"	746.483823	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+NH4"	18.033823
"792645"	1110.708823	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+NH4"	18.033823
"1683146"	382.258823	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+NH4"	18.033823
"332154"	373.7455495	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+H+NH4"	19.041099
"724939"	555.8580495	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+H+NH4"	19.041099
"1478276"	191.6330495	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H+NH4"	19.041099
"393553"	751.439218	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+Na"	22.989218
"755526"	1115.664218	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+Na"	22.989218
"1604470"	387.214218	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Na"	22.989218
"317301"	376.223247	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+H+Na"	23.996494
"708384"	558.335747	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+H+Na"	23.996494
"1462567"	194.110747	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H+Na"	23.996494
"1053015"	129.742923333333	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2H+Na"	25.00377
"1257050"	397.258486	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+CH3OH+H"	33.033486
"377645"	767.413158	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+K"	38.963158
"742781"	1131.638158	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+K"	38.963158
"1541188"	403.188158	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+K"	38.963158
"300186"	384.210217	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+H+K"	39.970434
"692243"	566.322717	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+H+K"	39.970434
"1446063"	202.097717	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H+K"	39.970434
"235922"	770.483826	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+ACN+H"	42.033826
"1214669"	406.258826	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+ACN+H"	42.033826
"1198918"	203.633051	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+ACN+2H"	43.041102
"191424"	773.42116	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+2Na-H"	44.97116
"632808"	1137.64616	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+2Na-H"	44.97116
"1135219"	409.19616	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2Na-H"	44.97116
"174136"	387.214218	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+2Na"	45.978436
"615034"	569.326718	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+2Na"	45.978436
"1117691"	205.101718	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2Na"	45.978436
"1399634"	137.070237333333	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H+2Na"	46.985712
"1431386"	411.237746	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H+HCOOH"	47.012746
"220718"	392.24724	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+3H2O+2H"	56.04448
"1510604"	425.28979	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+IsoProp+H"	61.06479
"409675"	395.201188	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+Na+K"	61.952376
"770917"	577.313688	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+Na+K"	61.952376
"1667247"	213.088688	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Na+K"	61.952376
"252428"	792.465768	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+ACN+Na"	64.015768
"1227207"	428.240768	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+ACN+Na"	64.015768
"1712750"	428.264293	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+NH4+HCOOH"	64.039293
"1193007"	144.397551333333	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+3Na"	68.967654
"1663751"	433.219688	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Na+HCOOH"	68.994688
"170975"	805.36904	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+2K-H"	76.91904
"611999"	1169.59404	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+2K-H"	76.91904
"1097238"	441.14404	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2K-H"	76.91904
"156814"	403.188158	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"2M+2K"	77.926316
"595559"	585.300658	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"3M+2K"	77.926316
"1083844"	221.075658	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2K"	77.926316
"1111334"	443.158592	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2K+H"	78.933592
"1344440"	443.246207	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+DMSO+H"	79.021207
"1017345"	447.285376	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2ACN+H"	83.060376
"1532191"	448.279008	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+IsoProp+Na+H"	84.054008
"999731"	224.146326	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+2ACN+2H"	84.067652
"1599701"	449.193628	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+K+HCOOH"	84.968628
"1423179"	479.225138	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+H+CF3COOH"	115.000138
"1153467"	244.659601	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+3ACN+2H"	125.094202
"1701926"	496.251685	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+NH4+CF3COOH"	132.026685
"1638670"	501.20708	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+Na+CF3COOH"	136.98208
"1571442"	517.18102	"C05470"	"Tetrahydrocortisone;Urocortisone"	"C21H32O5"	"364.225"	"M+K+CF3COOH"	152.95602
"804688"	364.225	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M"	0
"987704"	345.20661	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-H2O-H"	-19.01839
"75949"	241.809390666667	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M-3H"	-3.021828
"511496"	363.217724	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M-3H"	-3.021828
"892579"	120.401057333333	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-3H"	-3.021828
"12249"	363.217724	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M-2H"	-2.014552
"447436"	545.330224	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M-2H"	-2.014552
"824146"	181.105224	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-2H"	-2.014552
"87417"	727.442724	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M-H"	-1.007276
"528072"	1091.667724	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M-H"	-1.007276
"902595"	363.217724	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-H"	-1.007276
"58058"	744.469271	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M-2H+NH4"	16.019271
"492153"	1108.694271	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M-2H+NH4"	16.019271
"873233"	380.244271	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-2H+NH4"	16.019271
"41134"	749.424666	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M-2H+Na"	20.974666
"474137"	1113.649666	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M-2H+Na"	20.974666
"858499"	385.199666	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-2H+Na"	20.974666
"1628031"	385.199666	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Na-2H"	20.974666
"99091"	381.206063	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M-H+Cl"	33.962126
"539747"	563.318563	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M-H+Cl"	33.962126
"933262"	199.093563	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-H+Cl"	33.962126
"274005"	763.419402	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+Cl"	34.969402
"666433"	1127.644402	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+Cl"	34.969402
"1275554"	399.194402	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Cl"	34.969402
"19204"	765.398606	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M-2H+K"	36.948606
"462048"	1129.623606	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M-2H+K"	36.948606
"842038"	401.173606	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-2H+K"	36.948606
"1557871"	401.173606	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+K-2H"	36.948606
"949036"	409.223194	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-H+HCOOH"	44.998194
"368344"	773.448201	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+HCOOH-H"	44.998201
"352228"	787.463851	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+Hac-H"	59.013851
"1506528"	423.238851	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Hac-H"	59.013851
"966415"	431.205151	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-H+NaCOOH"	66.980151
"119695"	399.194402	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+2Cl"	69.938804
"553787"	581.306902	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+2Cl"	69.938804
"1033525"	217.081902	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2Cl"	69.938804
"1253473"	443.143885	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Br"	78.918885
"1316644"	445.199872	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Cl+HCOOH"	80.974872
"1330862"	467.181829	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Cl+NaCOOH"	102.956829
"917547"	477.210586	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M-H+CF3COOH"	112.985586
"1294254"	513.187264	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Cl+CF3COOH"	148.962264
"1375693"	329.212324	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H-2H2O"	-35.012676
"1388088"	347.2223	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H-H2O"	-17.0027
"287411"	729.457276	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+H"	1.007276
"680925"	1093.682276	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+H"	1.007276
"1366034"	365.232276	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H"	1.007276
"133817"	365.232276	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+2H"	2.014552
"574835"	547.344776	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+2H"	2.014552
"1043999"	183.119776	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2H"	2.014552
"208619"	243.823942666667	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+3H"	3.021828
"650363"	365.232276	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+3H"	3.021828
"1165215"	122.415609333333	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+3H"	3.021828
"427388"	746.483823	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+NH4"	18.033823
"788383"	1110.708823	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+NH4"	18.033823
"1683622"	382.258823	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+NH4"	18.033823
"331900"	373.7455495	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+H+NH4"	19.041099
"723955"	555.8580495	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+H+NH4"	19.041099
"1477653"	191.6330495	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H+NH4"	19.041099
"394269"	751.439218	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+Na"	22.989218
"755631"	1115.664218	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+Na"	22.989218
"1602727"	387.214218	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Na"	22.989218
"314491"	376.223247	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+H+Na"	23.996494
"707520"	558.335747	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+H+Na"	23.996494
"1462072"	194.110747	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H+Na"	23.996494
"1052811"	129.742923333333	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2H+Na"	25.00377
"1257156"	397.258486	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+CH3OH+H"	33.033486
"377215"	767.413158	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+K"	38.963158
"740701"	1131.638158	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+K"	38.963158
"1544213"	403.188158	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+K"	38.963158
"300661"	384.210217	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+H+K"	39.970434
"693809"	566.322717	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+H+K"	39.970434
"1446899"	202.097717	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H+K"	39.970434
"237329"	770.483826	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+ACN+H"	42.033826
"1212956"	406.258826	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+ACN+H"	42.033826
"1197203"	203.633051	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+ACN+2H"	43.041102
"192262"	773.42116	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+2Na-H"	44.97116
"631827"	1137.64616	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+2Na-H"	44.97116
"1135695"	409.19616	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2Na-H"	44.97116
"174731"	387.214218	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+2Na"	45.978436
"614533"	569.326718	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+2Na"	45.978436
"1116580"	205.101718	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2Na"	45.978436
"1399862"	137.070237333333	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H+2Na"	46.985712
"1432221"	411.237746	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H+HCOOH"	47.012746
"221067"	392.24724	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+3H2O+2H"	56.04448
"1510102"	425.28979	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+IsoProp+H"	61.06479
"408772"	395.201188	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+Na+K"	61.952376
"771392"	577.313688	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+Na+K"	61.952376
"1665934"	213.088688	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Na+K"	61.952376
"251766"	792.465768	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+ACN+Na"	64.015768
"1226016"	428.240768	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+ACN+Na"	64.015768
"1712756"	428.264293	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+NH4+HCOOH"	64.039293
"1191416"	144.397551333333	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+3Na"	68.967654
"1662768"	433.219688	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Na+HCOOH"	68.994688
"169628"	805.36904	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+2K-H"	76.91904
"612231"	1169.59404	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+2K-H"	76.91904
"1097348"	441.14404	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2K-H"	76.91904
"156599"	403.188158	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"2M+2K"	77.926316
"594818"	585.300658	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"3M+2K"	77.926316
"1082611"	221.075658	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2K"	77.926316
"1111444"	443.158592	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2K+H"	78.933592
"1344550"	443.246207	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+DMSO+H"	79.021207
"1016362"	447.285376	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2ACN+H"	83.060376
"1532301"	448.279008	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+IsoProp+Na+H"	84.054008
"998748"	224.146326	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+2ACN+2H"	84.067652
"1596531"	449.193628	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+K+HCOOH"	84.968628
"1423289"	479.225138	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+H+CF3COOH"	115.000138
"1160137"	244.659601	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+3ACN+2H"	125.094202
"1705316"	496.251685	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+NH4+CF3COOH"	132.026685
"1638780"	501.20708	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+Na+CF3COOH"	136.98208
"1571635"	517.18102	"C05471"	"11beta17alpha21-Trihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta17alpha21-triol-320-dione"	"C21H32O5"	"364.225"	"M+K+CF3COOH"	152.95602
"804798"	366.2406	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M"	0
"985994"	347.22221	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-H2O-H"	-19.01839
"75332"	243.153124	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M-3H"	-3.021828
"509423"	365.233324	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M-3H"	-3.021828
"888319"	121.072924	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-3H"	-3.021828
"3613"	365.233324	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M-2H"	-2.014552
"445362"	548.353624	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M-2H"	-2.014552
"822068"	182.113024	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-2H"	-2.014552
"86437"	731.473924	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M-H"	-1.007276
"521623"	1097.714524	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M-H"	-1.007276
"907074"	365.233324	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-H"	-1.007276
"60354"	748.500471	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M-2H+NH4"	16.019271
"501495"	1114.741071	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M-2H+NH4"	16.019271
"872250"	382.259871	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-2H+NH4"	16.019271
"36872"	753.455866	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M-2H+Na"	20.974666
"481902"	1119.696466	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M-2H+Na"	20.974666
"858609"	387.215266	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-2H+Na"	20.974666
"1628142"	387.215266	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Na-2H"	20.974666
"101391"	383.221663	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M-H+Cl"	33.962126
"542048"	566.341963	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M-H+Cl"	33.962126
"936655"	200.101363	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-H+Cl"	33.962126
"276303"	767.450602	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+Cl"	34.969402
"666542"	1133.691202	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+Cl"	34.969402
"1280039"	401.210002	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Cl"	34.969402
"25878"	769.429806	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M-2H+K"	36.948606
"462159"	1135.670406	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M-2H+K"	36.948606
"837775"	403.189206	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-2H+K"	36.948606
"1561264"	403.189206	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+K-2H"	36.948606
"954613"	411.238794	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-H+HCOOH"	44.998194
"366267"	777.479401	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+HCOOH-H"	44.998201
"356713"	791.495051	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+Hac-H"	59.013851
"1501174"	425.254451	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Hac-H"	59.013851
"965433"	433.220751	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-H+NaCOOH"	66.980151
"116525"	401.210002	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+2Cl"	69.938804
"562650"	584.330302	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+2Cl"	69.938804
"1033637"	218.089702	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2Cl"	69.938804
"1251028"	445.159485	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Br"	78.918885
"1317486"	447.215472	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Cl+HCOOH"	80.974872
"1326599"	469.197429	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Cl+NaCOOH"	102.956829
"922030"	479.226186	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M-H+CF3COOH"	112.985586
"1293271"	515.202864	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Cl+CF3COOH"	148.962264
"1372524"	331.227924	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H-2H2O"	-35.012676
"1386739"	349.2379	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H-H2O"	-17.0027
"294814"	733.488476	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+H"	1.007276
"679945"	1099.729076	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+H"	1.007276
"1360310"	367.247876	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H"	1.007276
"135023"	367.247876	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+2H"	2.014552
"568746"	550.368176	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+2H"	2.014552
"1041920"	184.127576	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2H"	2.014552
"210915"	245.167676	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+3H"	3.021828
"646100"	367.247876	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+3H"	3.021828
"1165325"	123.087476	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+3H"	3.021828
"425674"	750.515023	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+NH4"	18.033823
"788496"	1116.755623	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+NH4"	18.033823
"1682640"	384.274423	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+NH4"	18.033823
"333109"	375.7611495	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+H+NH4"	19.041099
"724796"	558.8814495	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+H+NH4"	19.041099
"1478982"	192.6408495	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H+NH4"	19.041099
"395114"	755.470418	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+Na"	22.989218
"756830"	1121.711018	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+Na"	22.989218
"1604078"	389.229818	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Na"	22.989218
"314518"	378.238847	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+H+Na"	23.996494
"707996"	561.359147	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+H+Na"	23.996494
"1461528"	195.118547	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H+Na"	23.996494
"1052911"	130.41479	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2H+Na"	25.00377
"1257340"	399.274086	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+CH3OH+H"	33.033486
"377199"	771.444358	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+K"	38.963158
"738988"	1137.684958	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+K"	38.963158
"1543229"	405.203758	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+K"	38.963158
"301135"	386.225817	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+H+K"	39.970434
"691647"	569.346117	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+H+K"	39.970434
"1445615"	203.105517	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H+K"	39.970434
"235982"	774.515026	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+ACN+H"	42.033826
"1212703"	408.274426	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+ACN+H"	42.033826
"1196951"	204.640851	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+ACN+2H"	43.041102
"190307"	777.45236	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+2Na-H"	44.97116
"636310"	1143.69296	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+2Na-H"	44.97116
"1136169"	411.21176	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2Na-H"	44.97116
"175935"	389.229818	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+2Na"	45.978436
"614402"	572.350118	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+2Na"	45.978436
"1116939"	206.109518	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2Na"	45.978436
"1399979"	137.742104	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H+2Na"	46.985712
"1430878"	413.253346	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H+HCOOH"	47.012746
"221419"	394.26284	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+3H2O+2H"	56.04448
"1510571"	427.30539	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+IsoProp+H"	61.06479
"410139"	397.216788	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+Na+K"	61.952376
"771499"	580.337088	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+Na+K"	61.952376
"1667461"	214.096488	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Na+K"	61.952376
"252164"	796.496968	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+ACN+Na"	64.015768
"1226330"	430.256368	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+ACN+Na"	64.015768
"1713395"	430.279893	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+NH4+HCOOH"	64.039293
"1192621"	145.069418	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+3Na"	68.967654
"1658870"	435.235288	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Na+HCOOH"	68.994688
"170105"	809.40024	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+2K-H"	76.91904
"606385"	1175.64084	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+2K-H"	76.91904
"1095271"	443.15964	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2K-H"	76.91904
"144434"	405.203758	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"2M+2K"	77.926316
"584721"	588.324058	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"3M+2K"	77.926316
"1080534"	222.083458	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2K"	77.926316
"1107182"	445.174192	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2K+H"	78.933592
"1342475"	445.261807	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+DMSO+H"	79.021207
"1017566"	449.300976	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2ACN+H"	83.060376
"1535694"	450.294608	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+IsoProp+Na+H"	84.054008
"995578"	225.154126	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+2ACN+2H"	84.067652
"1596645"	451.209228	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+K+HCOOH"	84.968628
"1426315"	481.240738	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+H+CF3COOH"	115.000138
"1159154"	245.667401	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+3ACN+2H"	125.094202
"1708705"	498.267285	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+NH4+CF3COOH"	132.026685
"1638890"	503.22268	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+Na+CF3COOH"	136.98208
"1571987"	519.19662	"C05472"	"Urocortisol;Tetrahydrocortisol;5beta-Pregnane-3alpha11beta17alpha21-tetrol-20-one"	"C21H34O5"	"366.2406"	"M+K+CF3COOH"	152.95602
"804908"	362.2093	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M"	0
"988291"	343.19091	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"75440"	240.465590666667	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"516095"	361.202024	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"884054"	119.729157333333	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"7004"	361.202024	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"446565"	542.306674	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"823274"	180.097374	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"88734"	723.411324	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"523920"	1085.620624	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"902813"	361.202024	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"59741"	740.437871	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"495652"	1102.647171	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"866896"	378.228571	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"32731"	745.393266	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"478732"	1107.602566	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"862000"	383.183966	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1631533"	383.183966	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"98221"	379.190363	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"542158"	560.295013	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"935672"	198.085713	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"275322"	759.388002	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"667745"	1121.597302	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1283430"	397.178702	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"23800"	761.367206	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"461175"	1123.576506	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"837884"	399.157906	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1562465"	399.157906	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"949256"	407.207494	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"366377"	769.416801	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"351355"	783.432451	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1496909"	421.223151	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"962264"	429.189451	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"114451"	397.178702	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"562760"	578.283352	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1033021"	216.074052	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1248953"	441.128185	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1314680"	443.184172	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1324522"	465.166129	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"915580"	475.194886	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1292289"	511.171564	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1369356"	327.196624	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1384300"	345.2066	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"293101"	725.425876	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"680055"	1087.635176	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1361148"	363.216576	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"134767"	363.216576	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"574326"	544.321226	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1042030"	182.111926	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"211025"	242.480142666667	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"650586"	363.216576	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1168716"	121.743709333333	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"430894"	742.452423	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"790796"	1104.661723	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1682756"	380.243123	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"332128"	371.7298495	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"723003"	552.8344995	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1483838"	190.6251995	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"400330"	747.407818	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"754878"	1109.617118	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1602969"	385.198518	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"316902"	374.207547	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"710417"	555.312197	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1465332"	193.102897	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1054688"	129.071023333333	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1258433"	395.242786	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"379196"	763.381758	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"740191"	1125.591058	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1544433"	401.172458	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"303068"	382.194517	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"691522"	563.299167	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1446029"	201.089867	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"236815"	766.452426	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1210297"	404.243126	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1194587"	202.625201	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"190296"	769.38976	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"635327"	1131.59906	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1134820"	407.18046	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"174831"	385.198518	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"614148"	566.303168	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1116808"	204.093868	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1402155"	136.398337333333	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1434271"	409.222046	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"220154"	390.23154	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1510928"	423.27409	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"411343"	393.185488	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"771610"	574.290138	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1666965"	212.080838	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"252150"	788.434368	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1225752"	426.225068	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1712723"	426.248593	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1191273"	143.725651333333	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1663355"	431.203988	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"171309"	801.33764	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"612208"	1163.54694	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1099478"	439.12834	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"154385"	401.172458	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"596502"	582.277108	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1083443"	220.067808	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1113732"	441.142892	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1343679"	441.230507	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1019500"	445.269676	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1536899"	446.263308	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"1001156"	223.138476	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1598943"	447.177928	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1423511"	477.209438	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1157079"	243.651751	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1707722"	494.235985	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1636814"	499.19138	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1571450"	515.16532	"C05473"	"11beta21-Dihydroxy-320-oxo-5beta-pregnan-18-al"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"806111"	364.225	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M"	0
"988036"	345.20661	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-H2O-H"	-19.01839
"76277"	241.809390666667	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M-3H"	-3.021828
"515110"	363.217724	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M-3H"	-3.021828
"889633"	120.401057333333	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-3H"	-3.021828
"8206"	363.217724	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M-2H"	-2.014552
"448862"	545.330224	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M-2H"	-2.014552
"821197"	181.105224	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-2H"	-2.014552
"87750"	727.442724	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M-H"	-1.007276
"528404"	1091.667724	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M-H"	-1.007276
"906568"	363.217724	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-H"	-1.007276
"58388"	744.469271	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M-2H+NH4"	16.019271
"495762"	1108.694271	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M-2H+NH4"	16.019271
"865912"	380.244271	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-2H+NH4"	16.019271
"32355"	749.424666	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M-2H+Na"	20.974666
"475562"	1113.649666	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M-2H+Na"	20.974666
"856643"	385.199666	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-2H+Na"	20.974666
"1630549"	385.199666	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Na-2H"	20.974666
"99424"	381.206063	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M-H+Cl"	33.962126
"544455"	563.318563	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M-H+Cl"	33.962126
"936875"	199.093563	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-H+Cl"	33.962126
"277618"	763.419402	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+Cl"	34.969402
"668948"	1127.644402	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+Cl"	34.969402
"1283540"	399.194402	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Cl"	34.969402
"23910"	765.398606	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M-2H+K"	36.948606
"468211"	1129.623606	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M-2H+K"	36.948606
"844554"	401.173606	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-2H+K"	36.948606
"1564762"	401.173606	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+K-2H"	36.948606
"948271"	409.223194	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-H+HCOOH"	44.998194
"368674"	773.448201	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+HCOOH-H"	44.998201
"353651"	787.463851	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+Hac-H"	59.013851
"1502485"	423.238851	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Hac-H"	59.013851
"967840"	431.205151	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-H+NaCOOH"	66.980151
"116746"	399.194402	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+2Cl"	69.938804
"561776"	581.306902	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+2Cl"	69.938804
"1034224"	217.081902	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2Cl"	69.938804
"1249063"	443.143885	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Br"	78.918885
"1316976"	445.199872	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Cl+HCOOH"	80.974872
"1326819"	467.181829	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Cl+NaCOOH"	102.956829
"916783"	477.210586	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M-H+CF3COOH"	112.985586
"1293492"	513.187264	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Cl+CF3COOH"	148.962264
"1373840"	329.212324	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H-2H2O"	-35.012676
"1386961"	347.2223	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H-H2O"	-17.0027
"295034"	729.457276	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+H"	1.007276
"680165"	1093.682276	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+H"	1.007276
"1360526"	365.232276	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H"	1.007276
"134512"	365.232276	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+2H"	2.014552
"574071"	547.344776	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+2H"	2.014552
"1043233"	183.119776	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2H"	2.014552
"212227"	243.823942666667	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+3H"	3.021828
"648506"	365.232276	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+3H"	3.021828
"1168826"	122.415609333333	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+3H"	3.021828
"431004"	746.483823	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+NH4"	18.033823
"790906"	1110.708823	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+NH4"	18.033823
"1686146"	382.258823	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+NH4"	18.033823
"332238"	373.7455495	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+H+NH4"	19.041099
"725019"	555.8580495	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+H+NH4"	19.041099
"1481761"	191.6330495	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H+NH4"	19.041099
"401533"	751.439218	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+Na"	22.989218
"755109"	1115.664218	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+Na"	22.989218
"1604056"	387.214218	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Na"	22.989218
"315919"	376.223247	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+H+Na"	23.996494
"707850"	558.335747	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+H+Na"	23.996494
"1464348"	194.110747	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H+Na"	23.996494
"1057229"	129.742923333333	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2H+Na"	25.00377
"1259638"	397.258486	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+CH3OH+H"	33.033486
"379306"	767.413158	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+K"	38.963158
"740665"	1131.638158	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+K"	38.963158
"1543449"	403.188158	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+K"	38.963158
"302085"	384.210217	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+H+K"	39.970434
"691710"	566.322717	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+H+K"	39.970434
"1446868"	202.097717	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H+K"	39.970434
"236564"	770.483826	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+ACN+H"	42.033826
"1211461"	406.258826	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+ACN+H"	42.033826
"1196804"	203.633051	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+ACN+2H"	43.041102
"191499"	773.42116	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+2Na-H"	44.97116
"636529"	1137.64616	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+2Na-H"	44.97116
"1135661"	409.19616	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2Na-H"	44.97116
"174454"	387.214218	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+2Na"	45.978436
"614134"	569.326718	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+2Na"	45.978436
"1117647"	205.101718	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2Na"	45.978436
"1403358"	137.070237333333	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H+2Na"	46.985712
"1436567"	411.237746	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H+HCOOH"	47.012746
"221890"	392.24724	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+3H2O+2H"	56.04448
"1509951"	425.28979	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+IsoProp+H"	61.06479
"409632"	395.201188	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+Na+K"	61.952376
"771233"	577.313688	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+Na+K"	61.952376
"1667683"	213.088688	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Na+K"	61.952376
"252625"	792.465768	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+ACN+Na"	64.015768
"1226913"	428.240768	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+ACN+Na"	64.015768
"1713615"	428.264293	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+NH4+HCOOH"	64.039293
"1192477"	144.397551333333	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+3Na"	68.967654
"1664558"	433.219688	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Na+HCOOH"	68.994688
"171419"	805.36904	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+2K-H"	76.91904
"611347"	1169.59404	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+2K-H"	76.91904
"1098049"	441.14404	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2K-H"	76.91904
"156682"	403.188158	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"2M+2K"	77.926316
"596894"	585.300658	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"3M+2K"	77.926316
"1083793"	221.075658	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2K"	77.926316
"1111776"	443.158592	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2K+H"	78.933592
"1347069"	443.246207	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+DMSO+H"	79.021207
"1017787"	447.285376	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2ACN+H"	83.060376
"1532634"	448.279008	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+IsoProp+Na+H"	84.054008
"1001265"	224.146326	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+2ACN+2H"	84.067652
"1596864"	449.193628	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+K+HCOOH"	84.968628
"1423617"	479.225138	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+H+CF3COOH"	115.000138
"1160467"	244.659601	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+3ACN+2H"	125.094202
"1703456"	496.251685	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+NH4+CF3COOH"	132.026685
"1634736"	501.20708	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+Na+CF3COOH"	136.98208
"1572572"	517.18102	"C05474"	"3alpha11beta21-Trihydroxy-20-oxo-5beta-pregnan-18-al"	"C21H32O5"	"364.225"	"M+K+CF3COOH"	152.95602
"810597"	348.2301	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M"	0
"988509"	329.21171	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-H2O-H"	-19.01839
"78092"	231.146124	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M-3H"	-3.021828
"517771"	347.222824	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M-3H"	-3.021828
"884274"	115.069424	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-3H"	-3.021828
"10503"	347.222824	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M-2H"	-2.014552
"450068"	521.337874	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M-2H"	-2.014552
"826775"	173.107774	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-2H"	-2.014552
"86767"	695.452924	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M-H"	-1.007276
"527421"	1043.683024	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M-H"	-1.007276
"899754"	347.222824	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-H"	-1.007276
"55218"	712.479471	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M-2H+NH4"	16.019271
"494780"	1060.709571	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M-2H+NH4"	16.019271
"867237"	364.249371	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-2H+NH4"	16.019271
"41579"	717.434866	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M-2H+Na"	20.974666
"475672"	1065.664966	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M-2H+Na"	20.974666
"856753"	369.204766	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-2H+Na"	20.974666
"1630659"	369.204766	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Na-2H"	20.974666
"102814"	365.211163	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M-H+Cl"	33.962126
"545657"	539.326213	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M-H+Cl"	33.962126
"935892"	191.096113	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-H+Cl"	33.962126
"276635"	731.429602	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+Cl"	34.969402
"667966"	1079.659702	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+Cl"	34.969402
"1281463"	383.199502	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Cl"	34.969402
"26206"	733.408806	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M-2H+K"	36.948606
"461392"	1081.638906	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M-2H+K"	36.948606
"842478"	385.178706	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-2H+K"	36.948606
"1567060"	385.178706	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+K-2H"	36.948606
"950569"	393.228294	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-H+HCOOH"	44.998194
"366595"	741.458401	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+HCOOH-H"	44.998201
"353761"	755.474051	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+Hac-H"	59.013851
"1501500"	407.243951	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Hac-H"	59.013851
"962480"	415.210251	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-H+NaCOOH"	66.980151
"117951"	383.199502	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+2Cl"	69.938804
"560792"	557.314552	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+2Cl"	69.938804
"1032873"	209.084452	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2Cl"	69.938804
"1251727"	427.148985	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Br"	78.918885
"1317087"	429.204972	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Cl+HCOOH"	80.974872
"1324743"	451.186929	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Cl+NaCOOH"	102.956829
"919082"	461.215686	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M-H+CF3COOH"	112.985586
"1293603"	497.192364	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Cl+CF3COOH"	148.962264
"1372857"	313.217424	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H-2H2O"	-35.012676
"1387074"	331.2274	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H-H2O"	-17.0027
"292229"	697.467476	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+H"	1.007276
"680275"	1045.697576	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+H"	1.007276
"1360272"	349.237376	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H"	1.007276
"135713"	349.237376	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+2H"	2.014552
"575274"	523.352426	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+2H"	2.014552
"1042250"	175.122326	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2H"	2.014552
"209057"	233.160676	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+3H"	3.021828
"647157"	349.237376	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+3H"	3.021828
"1168936"	117.083976	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+3H"	3.021828
"436582"	714.494023	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+NH4"	18.033823
"786399"	1062.724123	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+NH4"	18.033823
"1686257"	366.263923	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+NH4"	18.033823
"330402"	357.7506495	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+H+NH4"	19.041099
"723183"	531.8656995	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+H+NH4"	19.041099
"1480779"	183.6355995	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H+NH4"	19.041099
"396168"	719.449418	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+Na"	22.989218
"757524"	1067.679518	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+Na"	22.989218
"1603438"	371.219318	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Na"	22.989218
"314806"	360.228347	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+H+Na"	23.996494
"707305"	534.343397	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+H+Na"	23.996494
"1462635"	186.113297	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H+Na"	23.996494
"1058070"	124.41129	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2H+Na"	25.00377
"1260841"	381.263586	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+CH3OH+H"	33.033486
"380876"	735.423358	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+K"	38.963158
"741870"	1083.653458	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+K"	38.963158
"1542832"	387.193258	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+K"	38.963158
"300372"	368.215317	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+H+K"	39.970434
"692910"	542.330367	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+H+K"	39.970434
"1446732"	194.100267	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H+K"	39.970434
"238862"	738.494026	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+ACN+H"	42.033826
"1213028"	390.263926	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+ACN+H"	42.033826
"1196912"	195.635601	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+ACN+2H"	43.041102
"192337"	741.43136	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+2Na-H"	44.97116
"632264"	1089.66146	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+2Na-H"	44.97116
"1133702"	393.20126	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2Na-H"	44.97116
"175414"	371.219318	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+2Na"	45.978436
"614612"	545.334368	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+2Na"	45.978436
"1117757"	197.104268	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2Na"	45.978436
"1401281"	131.738604	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H+2Na"	46.985712
"1431207"	395.242846	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H+HCOOH"	47.012746
"222363"	376.25234	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+3H2O+2H"	56.04448
"1510789"	409.29489	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+IsoProp+H"	61.06479
"410836"	379.206288	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+Na+K"	61.952376
"771828"	553.321338	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+Na+K"	61.952376
"1668522"	205.091238	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Na+K"	61.952376
"253947"	760.475968	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+ACN+Na"	64.015768
"1226664"	412.245868	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+ACN+Na"	64.015768
"1714097"	412.269393	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+NH4+HCOOH"	64.039293
"1193316"	139.065918	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+3Na"	68.967654
"1664547"	417.224788	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Na+HCOOH"	68.994688
"170807"	773.37924	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+2K-H"	76.91904
"611578"	1121.60934	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+2K-H"	76.91904
"1097795"	425.14914	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2K-H"	76.91904
"156554"	387.193258	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"2M+2K"	77.926316
"595624"	561.308308	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"3M+2K"	77.926316
"1083296"	213.078208	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2K"	77.926316
"1114560"	427.163692	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2K+H"	78.933592
"1347180"	427.251307	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+DMSO+H"	79.021207
"1019719"	431.290476	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2ACN+H"	83.060376
"1533837"	432.284108	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+IsoProp+Na+H"	84.054008
"998095"	216.148876	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+2ACN+2H"	84.067652
"1592601"	433.198728	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+K+HCOOH"	84.968628
"1420449"	463.230238	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+H+CF3COOH"	115.000138
"1155110"	236.662151	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+3ACN+2H"	125.094202
"1705756"	480.256785	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+NH4+CF3COOH"	132.026685
"1634158"	485.21218	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+Na+CF3COOH"	136.98208
"1572682"	501.18612	"C05475"	"11beta21-Dihydroxy-5beta-pregnane-320-dione;5beta-Pregnane-11beta21-diol-320-dione"	"C21H32O4"	"348.2301"	"M+K+CF3COOH"	152.95602
"813987"	350.2457	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M"	0
"989593"	331.22731	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-H2O-H"	-19.01839
"76859"	232.489857333333	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M-3H"	-3.021828
"518085"	349.238424	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M-3H"	-3.021828
"885477"	115.741290666667	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-3H"	-3.021828
"13893"	349.238424	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M-2H"	-2.014552
"453458"	524.361274	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M-2H"	-2.014552
"825790"	174.115574	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-2H"	-2.014552
"87970"	699.484124	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M-H"	-1.007276
"522064"	1049.729824	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M-H"	-1.007276
"899866"	349.238424	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-H"	-1.007276
"62377"	716.510671	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M-2H+NH4"	16.019271
"498170"	1066.756371	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M-2H+NH4"	16.019271
"866495"	366.264971	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-2H+NH4"	16.019271
"41689"	721.466066	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M-2H+Na"	20.974666
"476875"	1071.711766	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M-2H+Na"	20.974666
"860143"	371.220366	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-2H+Na"	20.974666
"1628582"	371.220366	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Na-2H"	20.974666
"99644"	367.226763	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M-H+Cl"	33.962126
"546859"	542.349613	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M-H+Cl"	33.962126
"939281"	192.103913	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-H+Cl"	33.962126
"280025"	735.460802	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+Cl"	34.969402
"668076"	1085.706502	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+Cl"	34.969402
"1283760"	385.215102	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Cl"	34.969402
"25223"	737.440006	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M-2H+K"	36.948606
"460409"	1087.685706	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M-2H+K"	36.948606
"843681"	387.194306	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-2H+K"	36.948606
"1570085"	387.194306	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+K-2H"	36.948606
"950679"	395.243894	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-H+HCOOH"	44.998194
"366340"	745.489601	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+HCOOH-H"	44.998201
"353871"	759.505251	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+Hac-H"	59.013851
"1500517"	409.259551	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Hac-H"	59.013851
"962954"	417.225851	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-H+NaCOOH"	66.980151
"119154"	385.215102	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+2Cl"	69.938804
"559809"	560.337952	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+2Cl"	69.938804
"1034076"	210.092252	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2Cl"	69.938804
"1251471"	429.164585	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Br"	78.918885
"1310637"	431.220572	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Cl+HCOOH"	80.974872
"1324853"	453.202529	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Cl+NaCOOH"	102.956829
"917005"	463.231286	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M-H+CF3COOH"	112.985586
"1293713"	499.207964	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Cl+CF3COOH"	148.962264
"1372967"	315.233024	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H-2H2O"	-35.012676
"1387548"	333.243	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H-H2O"	-17.0027
"290151"	701.498676	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+H"	1.007276
"680749"	1051.744376	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+H"	1.007276
"1360382"	351.252976	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H"	1.007276
"132542"	351.252976	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+2H"	2.014552
"574290"	526.375826	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+2H"	2.014552
"1044547"	176.130126	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2H"	2.014552
"207707"	234.504409333333	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+3H"	3.021828
"646538"	351.252976	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+3H"	3.021828
"1166859"	117.755842666667	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+3H"	3.021828
"433412"	718.525223	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+NH4"	18.033823
"786995"	1068.770923	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+NH4"	18.033823
"1684180"	368.279523	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+NH4"	18.033823
"332458"	359.7662495	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+H+NH4"	19.041099
"723211"	534.8890995	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+H+NH4"	19.041099
"1480889"	184.6433995	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H+NH4"	19.041099
"393481"	723.480618	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+Na"	22.989218
"754674"	1073.726318	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+Na"	22.989218
"1602933"	373.234918	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Na"	22.989218
"315041"	362.243947	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+H+Na"	23.996494
"707252"	537.366797	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+H+Na"	23.996494
"1461398"	187.121097	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H+Na"	23.996494
"1057087"	125.083156666667	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2H+Na"	25.00377
"1259858"	383.279186	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+CH3OH+H"	33.033486
"379528"	739.454558	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+K"	38.963158
"741252"	1089.700258	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+K"	38.963158
"1542214"	389.208858	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+K"	38.963158
"301576"	370.230917	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+H+K"	39.970434
"693268"	545.353767	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+H+K"	39.970434
"1447452"	195.108067	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H+K"	39.970434
"236414"	742.525226	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+ACN+H"	42.033826
"1212046"	392.279526	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+ACN+H"	42.033826
"1196656"	196.643401	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+ACN+2H"	43.041102
"189893"	745.46256	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+2Na-H"	44.97116
"633833"	1095.70826	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+2Na-H"	44.97116
"1135515"	395.21686	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2Na-H"	44.97116
"174553"	373.234918	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+2Na"	45.978436
"614602"	548.357768	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+2Na"	45.978436
"1117866"	198.112068	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2Na"	45.978436
"1401512"	132.410470666667	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H+2Na"	46.985712
"1431074"	397.258446	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H+HCOOH"	47.012746
"224294"	378.26794	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+3H2O+2H"	56.04448
"1514544"	411.31049	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+IsoProp+H"	61.06479
"414230"	381.221888	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+Na+K"	61.952376
"770971"	556.344738	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+Na+K"	61.952376
"1667904"	206.099038	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Na+K"	61.952376
"252361"	764.507168	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+ACN+Na"	64.015768
"1227867"	414.261468	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+ACN+Na"	64.015768
"1713954"	414.284993	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+NH4+HCOOH"	64.039293
"1191604"	139.737784666667	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+3Na"	68.967654
"1664778"	419.240388	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Na+HCOOH"	68.994688
"170796"	777.41044	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+2K-H"	76.91904
"611689"	1127.65614	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+2K-H"	76.91904
"1096814"	427.16474	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2K-H"	76.91904
"155688"	389.208858	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"2M+2K"	77.926316
"595254"	564.331708	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"3M+2K"	77.926316
"1081954"	214.086008	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2K"	77.926316
"1114792"	429.179292	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2K+H"	78.933592
"1347290"	429.266907	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+DMSO+H"	79.021207
"1018007"	433.306076	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2ACN+H"	83.060376
"1533947"	434.299708	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+IsoProp+Na+H"	84.054008
"1000392"	217.156676	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+2ACN+2H"	84.067652
"1595990"	435.214328	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+K+HCOOH"	84.968628
"1421652"	465.245838	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+H+CF3COOH"	115.000138
"1155221"	237.669951	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+3ACN+2H"	125.094202
"1705866"	482.272385	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+NH4+CF3COOH"	132.026685
"1634303"	487.22778	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+Na+CF3COOH"	136.98208
"1572063"	503.20172	"C05476"	"Tetrahydrocorticosterone"	"C21H34O4"	"350.2457"	"M+K+CF3COOH"	152.95602
"811911"	346.2144	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M"	0
"989779"	327.19601	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"77820"	229.802324	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"518424"	345.207124	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"888867"	114.397524	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"14003"	345.207124	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"453931"	518.314324	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"829182"	172.099924	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"88813"	691.421524	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"528736"	1037.635924	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"904350"	345.207124	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"62448"	708.448071	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"496095"	1054.662471	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"868427"	362.233671	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"43987"	713.403466	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"482452"	1059.617866	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"862440"	367.189066	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1629786"	367.189066	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"101941"	363.195463	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"544783"	536.302663	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"940486"	190.088263	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"281235"	727.398202	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"668186"	1073.612602	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1282778"	381.183802	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"25333"	729.377406	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"464895"	1075.591806	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"845615"	383.163006	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1566187"	383.163006	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"949696"	391.212594	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"371189"	737.427001	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"356169"	751.442651	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1501721"	405.228251	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"965980"	413.194551	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"121089"	381.183802	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"558826"	554.291002	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1032001"	208.076602	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1250487"	425.133285	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1310747"	427.189272	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1323870"	449.171229	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"918209"	459.199986	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1293823"	495.176664	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1373441"	311.201724	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1387294"	329.2117	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"289168"	693.436076	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"680859"	1039.650476	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1364140"	347.221676	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"137392"	347.221676	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"573308"	520.328876	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1042471"	174.114476	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"209278"	231.816876	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"645193"	347.221676	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1169157"	116.412076	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"434616"	710.462623	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"789052"	1056.677023	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1691944"	364.248223	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"332568"	355.7349495	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"732644"	528.8421495	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1480999"	182.6277495	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"394813"	715.418018	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"756535"	1061.632418	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1603011"	369.203618	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"314828"	358.212647	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"707092"	531.319847	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1461329"	185.105447	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1057197"	123.73939	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1258143"	379.247886	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"380733"	731.391958	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"740635"	1077.606358	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1541594"	385.177558	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"299864"	366.199617	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"692650"	539.306817	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1446830"	193.092417	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"236286"	734.462626	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1211427"	388.248226	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1195312"	194.627751	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"190008"	737.39996	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"628915"	1083.61436	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1133806"	391.18556	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"173815"	369.203618	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"613017"	542.310818	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1115759"	196.096418	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1398698"	131.066704	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1430003"	393.227146	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"222216"	374.23664	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1510279"	407.27919	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"409599"	377.190588	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"770100"	550.297788	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1665946"	204.083388	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"251617"	756.444568	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1225621"	410.230168	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1712770"	410.253693	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1191714"	138.394018	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1664888"	415.209088	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"171749"	769.34784	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"612286"	1115.56224	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1097652"	423.13344	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"154825"	385.177558	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"596860"	558.284758	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1083971"	212.070358	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1111014"	425.147992	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1348493"	425.235607	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1020183"	429.274776	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1537337"	430.268408	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"997221"	215.141026	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1598287"	431.183028	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1419575"	461.214538	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1157517"	235.654301	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1705976"	478.241085	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1637253"	483.19648	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1572903"	499.17042	"C05477"	"21-Hydroxy-5beta-pregnane-31120-trione"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"816277"	348.2301	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M"	0
"988352"	329.21171	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-H2O-H"	-19.01839
"77446"	231.146124	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M-3H"	-3.021828
"518445"	347.222824	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M-3H"	-3.021828
"893351"	115.069424	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-3H"	-3.021828
"14240"	347.222824	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M-2H"	-2.014552
"452949"	521.337874	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M-2H"	-2.014552
"826010"	173.107774	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-2H"	-2.014552
"90377"	695.452924	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M-H"	-1.007276
"525564"	1043.683024	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M-H"	-1.007276
"897899"	347.222824	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-H"	-1.007276
"59563"	712.479471	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M-2H+NH4"	16.019271
"496205"	1060.709571	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M-2H+NH4"	16.019271
"868538"	364.249371	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-2H+NH4"	16.019271
"43003"	717.434866	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M-2H+Na"	20.974666
"480375"	1065.664966	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M-2H+Na"	20.974666
"860729"	369.204766	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-2H+Na"	20.974666
"1628802"	369.204766	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Na-2H"	20.974666
"102051"	365.211163	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M-H+Cl"	33.962126
"545986"	539.326213	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M-H+Cl"	33.962126
"938775"	191.096113	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-H+Cl"	33.962126
"280616"	731.429602	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+Cl"	34.969402
"675190"	1079.659702	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+Cl"	34.969402
"1283619"	383.199502	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Cl"	34.969402
"29093"	733.408806	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M-2H+K"	36.948606
"467193"	1081.638906	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M-2H+K"	36.948606
"845725"	385.178706	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-2H+K"	36.948606
"1567391"	385.178706	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+K-2H"	36.948606
"951993"	393.228294	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-H+HCOOH"	44.998194
"373851"	741.458401	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+HCOOH-H"	44.998201
"354091"	755.474051	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+Hac-H"	59.013851
"1501833"	407.243951	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Hac-H"	59.013851
"968277"	415.210251	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-H+NaCOOH"	66.980151
"122657"	383.199502	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+2Cl"	69.938804
"561854"	557.314552	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+2Cl"	69.938804
"1034299"	209.084452	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2Cl"	69.938804
"1249504"	427.148985	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Br"	78.918885
"1313046"	429.204972	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Cl+HCOOH"	80.974872
"1330542"	451.186929	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Cl+NaCOOH"	102.956829
"924518"	461.215686	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M-H+CF3COOH"	112.985586
"1296121"	497.192364	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Cl+CF3COOH"	148.962264
"1374280"	313.217424	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H-2H2O"	-35.012676
"1388498"	331.2274	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H-H2O"	-17.0027
"293289"	697.467476	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+H"	1.007276
"683886"	1045.697576	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+H"	1.007276
"1364614"	349.237376	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H"	1.007276
"140054"	349.237376	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+2H"	2.014552
"575604"	523.352426	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+2H"	2.014552
"1040393"	175.122326	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2H"	2.014552
"209389"	233.160676	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+3H"	3.021828
"650045"	349.237376	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+3H"	3.021828
"1172549"	117.083976	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+3H"	3.021828
"432539"	714.494023	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+NH4"	18.033823
"793536"	1062.724123	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+NH4"	18.033823
"1688774"	366.263923	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+NH4"	18.033823
"335958"	357.7506495	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+H+NH4"	19.041099
"736034"	531.8656995	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+H+NH4"	19.041099
"1485482"	183.6355995	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H+NH4"	19.041099
"394680"	719.449418	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+Na"	22.989218
"754278"	1067.679518	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+Na"	22.989218
"1602997"	371.219318	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Na"	22.989218
"314574"	360.228347	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+H+Na"	23.996494
"707441"	534.343397	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+H+Na"	23.996494
"1462966"	186.113297	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H+Na"	23.996494
"1055119"	124.41129	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2H+Na"	25.00377
"1262267"	381.263586	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+CH3OH+H"	33.033486
"379749"	735.423358	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+K"	38.963158
"740012"	1083.653458	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+K"	38.963158
"1541337"	387.193258	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+K"	38.963158
"300701"	368.215317	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+H+K"	39.970434
"692511"	542.330367	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+H+K"	39.970434
"1446942"	194.100267	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H+K"	39.970434
"236276"	738.494026	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+ACN+H"	42.033826
"1211901"	390.263926	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+ACN+H"	42.033826
"1195784"	195.635601	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+ACN+2H"	43.041102
"191212"	741.43136	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+2Na-H"	44.97116
"631135"	1089.66146	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+2Na-H"	44.97116
"1133916"	393.20126	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2Na-H"	44.97116
"174654"	371.219318	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+2Na"	45.978436
"612949"	545.334368	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+2Na"	45.978436
"1116139"	197.104268	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2Na"	45.978436
"1398807"	131.738604	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H+2Na"	46.985712
"1430557"	395.242846	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H+HCOOH"	47.012746
"221234"	376.25234	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+3H2O+2H"	56.04448
"1510388"	409.29489	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+IsoProp+H"	61.06479
"408980"	379.206288	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+Na+K"	61.952376
"769989"	553.321338	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+Na+K"	61.952376
"1666095"	205.091238	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Na+K"	61.952376
"251805"	760.475968	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+ACN+Na"	64.015768
"1226135"	412.245868	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+ACN+Na"	64.015768
"1712953"	412.269393	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+NH4+HCOOH"	64.039293
"1192551"	139.065918	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+3Na"	68.967654
"1663538"	417.224788	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Na+HCOOH"	68.994688
"172717"	773.37924	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+2K-H"	76.91904
"612278"	1121.60934	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+2K-H"	76.91904
"1098490"	425.14914	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2K-H"	76.91904
"156954"	387.193258	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"2M+2K"	77.926316
"596569"	561.308308	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"3M+2K"	77.926316
"1081569"	213.078208	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2K"	77.926316
"1111129"	427.163692	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2K+H"	78.933592
"1346418"	427.251307	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+DMSO+H"	79.021207
"1018229"	431.290476	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2ACN+H"	83.060376
"1538541"	432.284108	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+IsoProp+Na+H"	84.054008
"1000613"	216.148876	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+2ACN+2H"	84.067652
"1596211"	433.198728	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+K+HCOOH"	84.968628
"1422965"	463.230238	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+H+CF3COOH"	115.000138
"1156533"	236.662151	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+3ACN+2H"	125.094202
"1706086"	480.256785	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+NH4+CF3COOH"	132.026685
"1635177"	485.21218	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+Na+CF3COOH"	136.98208
"1573377"	501.18612	"C05478"	"3alpha21-Dihydroxy-5beta-pregnane-1120-dione;5beta-Pregnane-3alpha21-diol-1120-dione"	"C21H32O4"	"348.2301"	"M+K+CF3COOH"	152.95602
"816792"	316.2402	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M"	0
"987853"	297.22181	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"69533"	209.819524	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"516751"	315.232924	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"894435"	104.406124	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"11677"	315.232924	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"450507"	473.353024	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"826120"	157.112824	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"90123"	631.473124	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"529320"	947.713324	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"903476"	315.232924	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"59309"	648.499671	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"493036"	964.739871	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"868650"	332.259471	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"42019"	653.455066	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"482672"	969.695266	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"861203"	337.214866	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1628912"	337.214866	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"102161"	333.221263	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"546096"	491.341363	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"938885"	175.101163	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"280362"	667.449802	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"674856"	983.690002	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1287379"	351.209602	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"30909"	669.429006	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"469127"	985.669206	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"846568"	353.188806	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1571285"	353.188806	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"953927"	361.238394	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"371411"	677.478601	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"354206"	691.494251	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1501945"	375.254051	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"969850"	383.220351	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"118391"	351.209602	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"559778"	509.329702	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1032221"	193.089502	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1251801"	395.159085	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1314249"	397.215072	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1328464"	419.197029	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"923533"	429.225786	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1295136"	465.202464	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1373297"	281.227524	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1389701"	299.2375	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"291941"	633.487676	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"682903"	949.727876	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1362170"	317.247476	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"136883"	317.247476	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"571703"	475.367576	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1041596"	159.127376	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"210591"	211.834076	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"649059"	317.247476	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1172659"	106.420676	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"431555"	650.514223	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"795833"	966.754423	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1688884"	334.274023	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"336068"	325.7607495	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"732864"	483.8808495	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1482312"	167.6406495	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"394061"	655.469618	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"756514"	971.709818	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1603390"	339.229418	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"314644"	328.238447	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"707430"	486.358547	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1461656"	170.118347	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1056324"	113.74799	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1262377"	349.273686	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"380224"	671.443558	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"740486"	987.683758	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1542542"	355.203358	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"300443"	336.225417	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"693231"	494.345517	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1448511"	178.105317	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"239303"	674.514226	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1213468"	358.274026	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1196624"	179.640651	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"193509"	677.45156	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"631973"	993.69176	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1134390"	361.21136	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"175128"	339.229418	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"613423"	497.349518	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1116007"	181.109318	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1399163"	121.075304	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1430180"	363.252946	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"221342"	344.26244	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1510134"	377.30499	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"408845"	347.216388	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"770401"	505.336488	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1666771"	189.096288	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"252077"	696.496168	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1226734"	380.255968	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1714163"	380.279493	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1184273"	128.402618	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1663889"	385.234888	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"170870"	709.39944	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"611164"	1025.63964	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1097871"	393.15924	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"156021"	355.203358	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"594251"	513.323458	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1082162"	197.083258	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1114761"	395.173792	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1349448"	395.261407	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1017978"	399.300576	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1535370"	400.294208	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"998535"	200.153926	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1595227"	401.208828	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1425262"	431.240338	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1153363"	220.667201	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1706196"	448.266885	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1635287"	453.22228	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1573487"	469.19622	"C05479"	"5beta-Pregnane-320-dione"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"816624"	318.2559	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M"	0
"985777"	299.23751	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"75112"	211.163324	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"517590"	317.248624	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"895157"	105.078024	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"15065"	317.248624	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"452807"	476.376574	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"829876"	158.120674	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"89504"	635.504524	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"528699"	953.760424	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"909053"	317.248624	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"60876"	652.531071	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"496425"	970.786971	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"866693"	334.275171	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"38848"	657.486466	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"477315"	975.742366	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"856210"	339.230566	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1626837"	339.230566	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"103365"	335.236963	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"545113"	494.364913	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"939727"	176.109013	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"282178"	671.481202	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"675581"	989.737102	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1287495"	353.225302	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"29313"	673.460406	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"470337"	991.716306	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"846312"	355.204506	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1570289"	355.204506	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"956223"	363.254094	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"369337"	681.510001	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"360273"	695.525651	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1504607"	377.269751	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"973371"	385.236051	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"125628"	353.225302	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"565363"	512.353252	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1034154"	194.097352	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1255802"	397.174785	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1317640"	399.230772	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1330762"	421.212729	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"924007"	431.241486	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1298529"	467.218164	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1377418"	283.243224	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1390906"	301.2532	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"294969"	637.519076	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"687754"	955.774976	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1361917"	319.263176	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"136993"	319.263176	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"577282"	478.391126	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1047904"	160.135226	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"213982"	213.177876	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"653909"	319.263176	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1177143"	107.092576	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"432760"	654.545623	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"799224"	972.801523	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1693368"	336.289723	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"336178"	327.7764495	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"737674"	486.9043995	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1490077"	168.6484995	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"400006"	659.501018	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"755532"	977.756918	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1603138"	341.245118	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"315852"	330.254147	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"709002"	489.382097	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1463554"	171.126197	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1058623"	114.41989	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1258842"	351.289386	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"381064"	675.474958	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"739869"	993.730858	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1540500"	357.219058	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"299460"	338.241117	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"692246"	497.369067	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1447530"	179.113167	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"238687"	678.545626	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1213219"	360.289726	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1196372"	180.648501	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"193255"	681.48296	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"631723"	999.73886	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1139604"	363.22706	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"175241"	341.245118	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"613827"	500.373068	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1117456"	182.117168	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1402925"	121.747204	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1436135"	365.268646	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"224007"	346.27814	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1512799"	379.32069	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"410296"	349.232088	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"770030"	508.360038	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1666154"	190.104138	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"253039"	700.527568	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1226358"	382.271668	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1713671"	382.295193	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1187665"	129.074518	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1664485"	387.250588	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"172278"	713.43084	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"608353"	1031.68674	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1096146"	395.17494	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"155761"	357.219058	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"596419"	516.347008	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1083240"	198.091108	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1112434"	397.189492	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1348949"	397.277107	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1017359"	401.316276	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1535480"	402.309908	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"998645"	201.161776	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1595337"	403.224528	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1424278"	433.256038	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1157847"	221.675051	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1703025"	450.282585	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1635761"	455.23798	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1573233"	471.21192	"C05480"	"Pregnanolone;3alpha-Hydroxy-5beta-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"816362"	366.2406	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M"	0
"982606"	347.22221	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-H2O-H"	-19.01839
"69753"	243.153124	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M-3H"	-3.021828
"514783"	365.233324	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M-3H"	-3.021828
"893679"	121.072924	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-3H"	-3.021828
"11163"	365.233324	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M-2H"	-2.014552
"453641"	548.353624	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M-2H"	-2.014552
"829622"	182.113024	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-2H"	-2.014552
"88521"	731.473924	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M-H"	-1.007276
"530632"	1097.714524	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M-H"	-1.007276
"907704"	365.233324	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-H"	-1.007276
"58067"	748.500471	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M-2H+NH4"	16.019271
"497628"	1114.741071	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M-2H+NH4"	16.019271
"865952"	382.259871	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-2H+NH4"	16.019271
"36771"	753.455866	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M-2H+Na"	20.974666
"477425"	1119.696466	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M-2H+Na"	20.974666
"850122"	387.215266	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-2H+Na"	20.974666
"1622570"	387.215266	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Na-2H"	20.974666
"100195"	383.221663	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M-H+Cl"	33.962126
"548141"	566.341963	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M-H+Cl"	33.962126
"942272"	200.101363	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-H+Cl"	33.962126
"281798"	767.450602	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+Cl"	34.969402
"675205"	1133.691202	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+Cl"	34.969402
"1287728"	401.210002	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Cl"	34.969402
"30151"	769.429806	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M-2H+K"	36.948606
"470809"	1135.670406	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M-2H+K"	36.948606
"848123"	403.189206	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-2H+K"	36.948606
"1571003"	403.189206	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+K-2H"	36.948606
"956698"	411.238794	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-H+HCOOH"	44.998194
"372727"	777.479401	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+HCOOH-H"	44.998201
"355519"	791.495051	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+Hac-H"	59.013851
"1503988"	425.254451	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Hac-H"	59.013851
"973601"	433.220751	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-H+NaCOOH"	66.980151
"125186"	401.210002	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+2Cl"	69.938804
"565348"	584.330302	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+2Cl"	69.938804
"1034263"	218.089702	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2Cl"	69.938804
"1255791"	445.159485	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Br"	78.918885
"1317386"	447.215472	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Cl+HCOOH"	80.974872
"1330872"	469.197429	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Cl+NaCOOH"	102.956829
"923024"	479.226186	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M-H+CF3COOH"	112.985586
"1297546"	515.202864	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Cl+CF3COOH"	148.962264
"1376799"	331.227924	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H-2H2O"	-35.012676
"1391016"	349.2379	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H-H2O"	-17.0027
"295808"	733.488476	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+H"	1.007276
"686771"	1099.729076	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+H"	1.007276
"1362391"	367.247876	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H"	1.007276
"137103"	367.247876	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+2H"	2.014552
"576298"	550.368176	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+2H"	2.014552
"1048014"	184.127576	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2H"	2.014552
"212999"	245.167676	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+3H"	3.021828
"653654"	367.247876	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+3H"	3.021828
"1175795"	123.087476	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+3H"	3.021828
"432870"	750.515023	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+NH4"	18.033823
"800063"	1116.755623	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+NH4"	18.033823
"1692385"	384.274423	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+NH4"	18.033823
"336288"	375.7611495	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+H+NH4"	19.041099
"736731"	558.8814495	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+H+NH4"	19.041099
"1488001"	192.6408495	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H+NH4"	19.041099
"400116"	755.470418	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+Na"	22.989218
"754911"	1121.711018	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+Na"	22.989218
"1602923"	389.229818	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Na"	22.989218
"315839"	378.238847	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+H+Na"	23.996494
"709233"	561.359147	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+H+Na"	23.996494
"1464028"	195.118547	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H+Na"	23.996494
"1054723"	130.41479	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2H+Na"	25.00377
"1258952"	399.274086	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+CH3OH+H"	33.033486
"380445"	771.444358	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+K"	38.963158
"739007"	1137.684958	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+K"	38.963158
"1540691"	405.203758	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+K"	38.963158
"299326"	386.225817	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+H+K"	39.970434
"691826"	569.346117	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+H+K"	39.970434
"1446179"	203.105517	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H+K"	39.970434
"237336"	774.515026	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+ACN+H"	42.033826
"1211506"	408.274426	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+ACN+H"	42.033826
"1195754"	204.640851	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+ACN+2H"	43.041102
"190198"	777.45236	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+2Na-H"	44.97116
"632927"	1143.69296	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+2Na-H"	44.97116
"1133881"	411.21176	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2Na-H"	44.97116
"173769"	389.229818	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+2Na"	45.978436
"612866"	572.350118	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+2Na"	45.978436
"1117566"	206.109518	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2Na"	45.978436
"1403035"	137.742104	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H+2Na"	46.985712
"1436245"	413.253346	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H+HCOOH"	47.012746
"223753"	394.26284	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+3H2O+2H"	56.04448
"1512909"	427.30539	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+IsoProp+H"	61.06479
"410406"	397.216788	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+Na+K"	61.952376
"770214"	580.337088	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+Na+K"	61.952376
"1665939"	214.096488	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Na+K"	61.952376
"251735"	796.496968	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+ACN+Na"	64.015768
"1225982"	430.256368	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+ACN+Na"	64.015768
"1713295"	430.279893	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+NH4+HCOOH"	64.039293
"1187775"	145.069418	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+3Na"	68.967654
"1663135"	435.235288	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Na+HCOOH"	68.994688
"172430"	809.40024	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+2K-H"	76.91904
"607369"	1175.64084	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+2K-H"	76.91904
"1096256"	443.15964	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2K-H"	76.91904
"155260"	405.203758	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"2M+2K"	77.926316
"596650"	588.324058	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"3M+2K"	77.926316
"1082615"	222.083458	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2K"	77.926316
"1113637"	445.174192	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2K+H"	78.933592
"1350635"	445.261807	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+DMSO+H"	79.021207
"1019289"	449.300976	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2ACN+H"	83.060376
"1538507"	450.294608	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+IsoProp+Na+H"	84.054008
"998755"	225.154126	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+2ACN+2H"	84.067652
"1595447"	451.209228	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+K+HCOOH"	84.968628
"1420014"	481.240738	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+H+CF3COOH"	115.000138
"1157957"	245.667401	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+3ACN+2H"	125.094202
"1706415"	498.267285	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+NH4+CF3COOH"	132.026685
"1635507"	503.22268	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+Na+CF3COOH"	136.98208
"1574435"	519.19662	"C05481"	"Cortolone"	"C21H34O5"	"366.2406"	"M+K+CF3COOH"	152.95602
"812462"	368.2563	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M"	0
"980529"	349.23791	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-H2O-H"	-19.01839
"68770"	244.496924	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M-3H"	-3.021828
"506146"	367.249024	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M-3H"	-3.021828
"893789"	121.744824	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-3H"	-3.021828
"9086"	367.249024	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M-2H"	-2.014552
"455086"	551.377174	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M-2H"	-2.014552
"831916"	183.120874	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-2H"	-2.014552
"90816"	735.505324	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M-H"	-1.007276
"531469"	1103.761624	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M-H"	-1.007276
"905990"	367.249024	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-H"	-1.007276
"53804"	752.531871	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M-2H+NH4"	16.019271
"493365"	1120.788171	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M-2H+NH4"	16.019271
"864376"	384.275571	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-2H+NH4"	16.019271
"36881"	757.487266	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M-2H+Na"	20.974666
"477535"	1125.743566	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M-2H+Na"	20.974666
"849138"	389.230966	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-2H+Na"	20.974666
"1622680"	389.230966	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Na-2H"	20.974666
"98118"	385.237363	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M-H+Cl"	33.962126
"546428"	569.365513	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M-H+Cl"	33.962126
"941403"	201.109213	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-H+Cl"	33.962126
"277405"	771.482002	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+Cl"	34.969402
"675536"	1139.738302	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+Cl"	34.969402
"1288400"	403.225702	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Cl"	34.969402
"30833"	773.461206	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M-2H+K"	36.948606
"467632"	1141.717506	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M-2H+K"	36.948606
"848153"	405.204906	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-2H+K"	36.948606
"1568561"	405.204906	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+K-2H"	36.948606
"952431"	413.254494	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-H+HCOOH"	44.998194
"368463"	781.510801	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+HCOOH-H"	44.998201
"352348"	795.526451	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+Hac-H"	59.013851
"1502274"	427.270151	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Hac-H"	59.013851
"966904"	435.236451	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-H+NaCOOH"	66.980151
"124195"	403.225702	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+2Cl"	69.938804
"561200"	587.353852	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+2Cl"	69.938804
"1026717"	219.097552	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2Cl"	69.938804
"1254320"	447.175185	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Br"	78.918885
"1306196"	449.231172	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Cl+HCOOH"	80.974872
"1325515"	471.213129	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Cl+NaCOOH"	102.956829
"916573"	481.241886	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M-H+CF3COOH"	112.985586
"1297656"	517.218564	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Cl+CF3COOH"	148.962264
"1371441"	333.243624	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H-2H2O"	-35.012676
"1390033"	351.2536	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H-H2O"	-17.0027
"296647"	737.519876	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+H"	1.007276
"686881"	1105.776176	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+H"	1.007276
"1360314"	369.263576	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H"	1.007276
"135026"	369.263576	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+2H"	2.014552
"572764"	553.391726	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+2H"	2.014552
"1043021"	185.135426	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2H"	2.014552
"208735"	246.511476	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+3H"	3.021828
"647204"	369.263576	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+3H"	3.021828
"1175176"	123.759376	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+3H"	3.021828
"435167"	754.546423	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+NH4"	18.033823
"797258"	1122.802723	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+NH4"	18.033823
"1690309"	386.290123	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+NH4"	18.033823
"336398"	377.7768495	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+H+NH4"	19.041099
"728822"	561.9049995	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+H+NH4"	19.041099
"1482278"	193.6486995	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H+NH4"	19.041099
"398040"	759.501818	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+Na"	22.989218
"754332"	1127.758118	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+Na"	22.989218
"1602733"	391.245518	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Na"	22.989218
"314409"	380.254547	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+H+Na"	23.996494
"707192"	564.382697	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+H+Na"	23.996494
"1461461"	196.126397	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H+Na"	23.996494
"1052997"	131.08669	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2H+Na"	25.00377
"1257149"	401.289786	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+CH3OH+H"	33.033486
"377349"	775.475758	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+K"	38.963158
"738584"	1143.732058	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+K"	38.963158
"1539979"	407.219458	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+K"	38.963158
"298587"	388.241517	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+H+K"	39.970434
"691389"	572.369667	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+H+K"	39.970434
"1446007"	204.113367	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H+K"	39.970434
"238173"	778.546426	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+ACN+H"	42.033826
"1211616"	410.290126	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+ACN+H"	42.033826
"1194890"	205.648701	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+ACN+2H"	43.041102
"189701"	781.48376	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+2Na-H"	44.97116
"630485"	1149.74006	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+2Na-H"	44.97116
"1133748"	413.22746	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2Na-H"	44.97116
"173514"	391.245518	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+2Na"	45.978436
"613436"	575.373668	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+2Na"	45.978436
"1115973"	207.117368	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2Na"	45.978436
"1400228"	138.414004	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H+2Na"	46.985712
"1433075"	415.269046	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H+HCOOH"	47.012746
"222770"	396.27854	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+3H2O+2H"	56.04448
"1511926"	429.32109	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+IsoProp+H"	61.06479
"408688"	399.232488	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+Na+K"	61.952376
"769965"	583.360638	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+Na+K"	61.952376
"1666054"	215.104338	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Na+K"	61.952376
"251643"	800.528368	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+ACN+Na"	64.015768
"1225653"	432.272068	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+ACN+Na"	64.015768
"1713771"	432.295593	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+NH4+HCOOH"	64.039293
"1187885"	145.741318	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+3Na"	68.967654
"1659965"	437.250988	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Na+HCOOH"	68.994688
"170107"	813.43164	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+2K-H"	76.91904
"606386"	1181.68794	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+2K-H"	76.91904
"1096366"	445.17534	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2K-H"	76.91904
"153183"	407.219458	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"2M+2K"	77.926316
"596758"	591.347608	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"3M+2K"	77.926316
"1083333"	223.091308	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2K"	77.926316
"1113747"	447.189892	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2K+H"	78.933592
"1350134"	447.277507	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+DMSO+H"	79.021207
"1018664"	451.316676	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2ACN+H"	83.060376
"1539348"	452.310308	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+IsoProp+Na+H"	84.054008
"997772"	226.161976	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+2ACN+2H"	84.067652
"1596650"	453.224928	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+K+HCOOH"	84.968628
"1419030"	483.256438	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+H+CF3COOH"	115.000138
"1152600"	246.675251	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+3ACN+2H"	125.094202
"1706525"	500.282985	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+NH4+CF3COOH"	132.026685
"1635981"	505.23838	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+Na+CF3COOH"	136.98208
"1575638"	521.21232	"C05482"	"Cortol"	"C21H36O5"	"368.2563"	"M+K+CF3COOH"	152.95602
"814394"	350.2457	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M"	0
"980639"	331.22731	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-H2O-H"	-19.01839
"69973"	232.489857333333	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M-3H"	-3.021828
"506256"	349.238424	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M-3H"	-3.021828
"891712"	115.741290666667	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-3H"	-3.021828
"8103"	349.238424	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H"	-2.014552
"448756"	524.361274	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H"	-2.014552
"828747"	174.115574	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H"	-2.014552
"87646"	699.484124	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M-H"	-1.007276
"528299"	1049.729824	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M-H"	-1.007276
"902820"	349.238424	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-H"	-1.007276
"52819"	716.510671	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H+NH4"	16.019271
"492380"	1066.756371	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H+NH4"	16.019271
"864711"	366.264971	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H+NH4"	16.019271
"36991"	721.466066	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H+Na"	20.974666
"477645"	1071.711766	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H+Na"	20.974666
"849167"	371.220366	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H+Na"	20.974666
"1622790"	371.220366	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na-2H"	20.974666
"97134"	367.226763	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M-H+Cl"	33.962126
"543258"	542.349613	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M-H+Cl"	33.962126
"940420"	192.103913	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+Cl"	33.962126
"276422"	735.460802	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Cl"	34.969402
"675466"	1085.706502	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+Cl"	34.969402
"1288222"	385.215102	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl"	34.969402
"30005"	737.440006	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H+K"	36.948606
"469566"	1087.685706	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H+K"	36.948606
"846273"	387.194306	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H+K"	36.948606
"1566848"	387.194306	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+K-2H"	36.948606
"949261"	395.243894	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+HCOOH"	44.998194
"368573"	745.489601	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+HCOOH-H"	44.998201
"351365"	759.505251	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Hac-H"	59.013851
"1501291"	409.259551	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Hac-H"	59.013851
"967741"	417.225851	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+NaCOOH"	66.980151
"121025"	385.215102	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2Cl"	69.938804
"561310"	560.337952	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2Cl"	69.938804
"1028286"	210.092252	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2Cl"	69.938804
"1248961"	429.164585	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Br"	78.918885
"1308126"	431.220572	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl+HCOOH"	80.974872
"1325625"	453.202529	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl+NaCOOH"	102.956829
"917776"	463.231286	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+CF3COOH"	112.985586
"1297766"	499.207964	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl+CF3COOH"	148.962264
"1371916"	315.233024	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H-2H2O"	-35.012676
"1389049"	333.243	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H-H2O"	-17.0027
"296028"	701.498676	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H"	1.007276
"686991"	1051.744376	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H"	1.007276
"1357508"	351.252976	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H"	1.007276
"132220"	351.252976	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2H"	2.014552
"571051"	526.375826	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2H"	2.014552
"1043131"	176.130126	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2H"	2.014552
"208845"	234.504409333333	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+3H"	3.021828
"648407"	351.252976	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+3H"	3.021828
"1175286"	117.755842666667	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+3H"	3.021828
"435277"	718.525223	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+NH4"	18.033823
"796275"	1068.770923	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+NH4"	18.033823
"1687139"	368.279523	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+NH4"	18.033823
"339788"	359.7662495	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H+NH4"	19.041099
"730026"	534.8890995	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H+NH4"	19.041099
"1481295"	184.6433995	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+NH4"	19.041099
"398150"	723.480618	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Na"	22.989218
"755860"	1073.726318	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+Na"	22.989218
"1606145"	373.234918	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na"	22.989218
"318370"	362.243947	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H+Na"	23.996494
"708478"	537.366797	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H+Na"	23.996494
"1462299"	187.121097	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+Na"	23.996494
"1053599"	125.083156666667	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2H+Na"	25.00377
"1257468"	383.279186	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+CH3OH+H"	33.033486
"378230"	739.454558	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+K"	38.963158
"738778"	1089.700258	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+K"	38.963158
"1540542"	389.208858	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+K"	38.963158
"298659"	370.230917	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H+K"	39.970434
"691675"	545.353767	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H+K"	39.970434
"1445778"	195.108067	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+K"	39.970434
"239013"	742.525226	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+ACN+H"	42.033826
"1211357"	392.279526	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+ACN+H"	42.033826
"1195972"	196.643401	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+ACN+2H"	43.041102
"188963"	745.46256	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2Na-H"	44.97116
"629988"	1095.70826	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2Na-H"	44.97116
"1133494"	395.21686	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2Na-H"	44.97116
"175813"	373.234918	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2Na"	45.978436
"613265"	548.357768	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2Na"	45.978436
"1115957"	198.112068	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2Na"	45.978436
"1400217"	132.410470666667	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+2Na"	46.985712
"1432092"	397.258446	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+HCOOH"	47.012746
"222880"	378.26794	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+3H2O+2H"	56.04448
"1512036"	411.31049	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+IsoProp+H"	61.06479
"408639"	381.221888	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Na+K"	61.952376
"770053"	556.344738	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+Na+K"	61.952376
"1665798"	206.099038	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na+K"	61.952376
"252281"	764.507168	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+ACN+Na"	64.015768
"1225839"	414.261468	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+ACN+Na"	64.015768
"1713353"	414.284993	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+NH4+HCOOH"	64.039293
"1183621"	139.737784666667	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+3Na"	68.967654
"1658981"	419.240388	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na+HCOOH"	68.994688
"170217"	777.41044	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2K-H"	76.91904
"604310"	1127.65614	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2K-H"	76.91904
"1088821"	427.16474	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2K-H"	76.91904
"156456"	389.208858	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2K"	77.926316
"595040"	564.331708	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2K"	77.926316
"1081740"	214.086008	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2K"	77.926316
"1111307"	429.179292	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2K+H"	78.933592
"1350244"	429.266907	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+DMSO+H"	79.021207
"1016587"	433.306076	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2ACN+H"	83.060376
"1538365"	434.299708	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+IsoProp+Na+H"	84.054008
"995695"	217.156676	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+2ACN+2H"	84.067652
"1593480"	435.214328	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+K+HCOOH"	84.968628
"1419140"	465.245838	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+CF3COOH"	115.000138
"1153803"	237.669951	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+3ACN+2H"	125.094202
"1707728"	482.272385	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+NH4+CF3COOH"	132.026685
"1639007"	487.22778	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na+CF3COOH"	136.98208
"1574656"	503.20172	"C05483"	"3alpha20alpha21-Trihydroxy-5beta-pregnan-11-one"	"C21H34O4"	"350.2457"	"M+K+CF3COOH"	152.95602
"813777"	320.2715	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M"	0
"979656"	301.25311	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-H2O-H"	-19.01839
"71178"	212.507057333333	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M-3H"	-3.021828
"506366"	319.264224	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M-3H"	-3.021828
"888542"	105.749890666667	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-3H"	-3.021828
"11493"	319.264224	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M-2H"	-2.014552
"448866"	479.399974	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M-2H"	-2.014552
"826669"	159.128474	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-2H"	-2.014552
"88848"	639.535724	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M-H"	-1.007276
"526222"	959.807224	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M-H"	-1.007276
"902930"	319.264224	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-H"	-1.007276
"52929"	656.562271	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M-2H+NH4"	16.019271
"496863"	976.833771	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M-2H+NH4"	16.019271
"865918"	336.290771	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-2H+NH4"	16.019271
"39288"	661.517666	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M-2H+Na"	20.974666
"477755"	981.789166	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M-2H+Na"	20.974666
"852276"	341.246166	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-2H+Na"	20.974666
"1622900"	341.246166	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Na-2H"	20.974666
"97244"	337.252563	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M-H+Cl"	33.962126
"544461"	497.388313	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M-H+Cl"	33.962126
"939438"	177.116813	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-H+Cl"	33.962126
"280181"	675.512402	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+Cl"	34.969402
"675407"	995.783902	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+Cl"	34.969402
"1288411"	355.240902	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Cl"	34.969402
"30811"	677.491606	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M-2H+K"	36.948606
"469676"	997.763106	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M-2H+K"	36.948606
"847477"	357.220106	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-2H+K"	36.948606
"1569144"	357.220106	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+K-2H"	36.948606
"951559"	365.269694	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-H+HCOOH"	44.998194
"368683"	685.541201	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+HCOOH-H"	44.998201
"355848"	699.556851	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+Hac-H"	59.013851
"1502494"	379.285351	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Hac-H"	59.013851
"967851"	387.251651	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-H+NaCOOH"	66.980151
"119313"	355.240902	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+2Cl"	69.938804
"561786"	515.376652	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+2Cl"	69.938804
"1030583"	195.105152	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2Cl"	69.938804
"1251258"	399.190385	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Br"	78.918885
"1308237"	401.246372	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Cl+HCOOH"	80.974872
"1325735"	423.228329	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Cl+NaCOOH"	102.956829
"920073"	433.257086	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M-H+CF3COOH"	112.985586
"1297876"	469.233764	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Cl+CF3COOH"	148.962264
"1372755"	285.258824	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H-2H2O"	-35.012676
"1388064"	303.2688	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H-H2O"	-17.0027
"291034"	641.550276	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+H"	1.007276
"684548"	961.821776	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+H"	1.007276
"1357618"	321.278776	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H"	1.007276
"134881"	321.278776	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+2H"	2.014552
"567879"	481.414526	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+2H"	2.014552
"1041053"	161.143026	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2H"	2.014552
"212235"	214.521609333333	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+3H"	3.021828
"653984"	321.278776	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+3H"	3.021828
"1174302"	107.764442666667	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+3H"	3.021828
"432105"	658.576823	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+NH4"	18.033823
"799665"	978.848323	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+NH4"	18.033823
"1692716"	338.305323	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+NH4"	18.033823
"339898"	329.7920495	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+H+NH4"	19.041099
"734509"	489.9277995	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+H+NH4"	19.041099
"1484321"	169.6562995	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H+NH4"	19.041099
"401540"	663.532218	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+Na"	22.989218
"755363"	983.803718	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+Na"	22.989218
"1615002"	343.260718	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Na"	22.989218
"327228"	332.269747	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+H+Na"	23.996494
"715275"	492.405497	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+H+Na"	23.996494
"1464358"	172.133997	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H+Na"	23.996494
"1054078"	115.091756666667	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2H+Na"	25.00377
"1258185"	353.304986	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+CH3OH+H"	33.033486
"377490"	679.506158	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+K"	38.963158
"739578"	999.777658	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+K"	38.963158
"1540090"	359.234658	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+K"	38.963158
"298807"	340.256717	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+H+K"	39.970434
"692322"	500.392467	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+H+K"	39.970434
"1445777"	180.120967	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H+K"	39.970434
"238395"	682.576826	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+ACN+H"	42.033826
"1213657"	362.305326	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+ACN+H"	42.033826
"1195355"	181.656301	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+ACN+2H"	43.041102
"189321"	685.51416	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+2Na-H"	44.97116
"633257"	1005.78566	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+2Na-H"	44.97116
"1140044"	365.24266	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2Na-H"	44.97116
"182242"	343.260718	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+2Na"	45.978436
"623626"	503.396468	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+2Na"	45.978436
"1115769"	183.124968	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2Na"	45.978436
"1400206"	122.419070666667	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H+2Na"	46.985712
"1432202"	367.284246	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H+HCOOH"	47.012746
"220557"	348.29374	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+3H2O+2H"	56.04448
"1509108"	381.33629	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+IsoProp+H"	61.06479
"408678"	351.247688	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+Na+K"	61.952376
"770188"	511.383438	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+Na+K"	61.952376
"1666357"	191.111938	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Na+K"	61.952376
"252393"	704.558768	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+ACN+Na"	64.015768
"1225873"	384.287268	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+ACN+Na"	64.015768
"1714358"	384.310793	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+NH4+HCOOH"	64.039293
"1185918"	129.746384666667	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+3Na"	68.967654
"1659091"	389.266188	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Na+HCOOH"	68.994688
"167047"	717.46204	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+2K-H"	76.91904
"604419"	1037.73354	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+2K-H"	76.91904
"1090024"	397.19054	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2K-H"	76.91904
"155838"	359.234658	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"2M+2K"	77.926316
"592963"	519.370408	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"3M+2K"	77.926316
"1079663"	199.098908	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2K"	77.926316
"1111781"	399.205092	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2K+H"	78.933592
"1345980"	399.292707	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+DMSO+H"	79.021207
"1015603"	403.331876	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2ACN+H"	83.060376
"1535919"	404.325508	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+IsoProp+Na+H"	84.054008
"993618"	202.169576	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+2ACN+2H"	84.067652
"1594683"	405.240128	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+K+HCOOH"	84.968628
"1425811"	435.271638	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+H+CF3COOH"	115.000138
"1157194"	222.682851	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+3ACN+2H"	125.094202
"1704558"	452.298185	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+NH4+CF3COOH"	132.026685
"1638023"	457.25358	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+Na+CF3COOH"	136.98208
"1573673"	473.22752	"C05484"	"Pregnanediol;5beta-Pregnane-3alpha20alpha-diol;Pregnandiol;Diol"	"C21H36O2"	"320.2715"	"M+K+CF3COOH"	152.95602
"811700"	332.2351	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M"	0
"979766"	313.21671	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"72381"	220.482790666667	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"506476"	331.227824	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"884279"	109.737757333333	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"2854"	331.227824	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"442414"	497.345374	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"818151"	165.110274	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"79596"	663.462924	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"518570"	995.698024	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"896840"	331.227824	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"47810"	680.489471	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"490411"	1012.724571	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"864726"	348.254371	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"40491"	685.444866	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"476771"	1017.679966	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"850198"	353.209766	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1619850"	353.209766	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"94880"	349.216163	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"545300"	515.333713	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"938817"	183.098613	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"277735"	699.439602	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"675027"	1031.674702	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1287790"	367.204502	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"31311"	701.418806	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"470514"	1033.653906	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"847913"	369.183706	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1568889"	369.183706	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"952763"	377.233294	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"372438"	709.468401	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"354134"	723.484051	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1505521"	391.248951	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"971240"	399.215251	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"120878"	367.204502	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"555335"	533.322052	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1033974"	201.086952	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1251368"	411.153985	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1306160"	413.209972	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1324386"	435.191929	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"919089"	445.220686	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1297985"	481.197364	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1373958"	297.222424	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1390360"	315.2324	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"291144"	665.477476	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"684658"	997.712576	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1357728"	333.242376	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"136084"	333.242376	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"570173"	499.359926	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1041163"	167.124826	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"211252"	222.497342666667	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"654094"	333.242376	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1168945"	111.752309333333	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"426748"	682.504023	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"797223"	1014.739123	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1693919"	350.268923	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"343288"	341.7556495	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"734619"	507.8731995	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1485160"	175.6380995	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"404930"	687.459418	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"757542"	1019.694518	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1610739"	355.224318	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"325151"	344.233347	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"713199"	510.350897	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1468114"	178.115797	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1056982"	119.079623333333	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1259758"	365.268586	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"378697"	703.433358	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"739447"	1035.668458	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1541375"	371.198258	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"299648"	352.220317	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"692432"	518.337867	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1446251"	186.102767	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"237410"	706.504026	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1213036"	374.268926	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1195825"	187.638101	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"189790"	709.44136	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"633367"	1041.67646	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1132497"	377.20626	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"179071"	355.224318	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"613275"	521.341868	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1116424"	189.106768	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1402381"	126.406937333333	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1434498"	379.247846	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"220913"	360.25734	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1512256"	393.29989	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"409754"	363.211288	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"770501"	529.328838	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1666954"	197.093738	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"254325"	728.485968	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1227038"	396.250868	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1714104"	396.274393	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1184934"	133.734251333333	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1658108"	401.229788	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"166063"	741.38924	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"603436"	1073.62434	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1090134"	409.15414	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"154977"	371.198258	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"586512"	537.315808	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1078679"	205.080708	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1110797"	411.168692	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1346088"	411.256307	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1016806"	415.295476	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1534935"	416.289108	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"992635"	208.151376	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1592606"	417.203728	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1422641"	447.235238	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1157304"	228.664651	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1703575"	464.261785	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1637040"	469.21718	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1571961"	485.19112	"C05485"	"21-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"816182"	348.2301	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M"	0
"982063"	329.21171	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-H2O-H"	-19.01839
"76865"	231.146124	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M-3H"	-3.021828
"506585"	347.222824	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M-3H"	-3.021828
"884388"	115.069424	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-3H"	-3.021828
"2964"	347.222824	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M-2H"	-2.014552
"442524"	521.337874	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M-2H"	-2.014552
"818140"	173.107774	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-2H"	-2.014552
"78973"	695.452924	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M-H"	-1.007276
"520243"	1043.683024	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M-H"	-1.007276
"898045"	347.222824	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-H"	-1.007276
"47672"	712.479471	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M-2H+NH4"	16.019271
"490521"	1060.709571	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M-2H+NH4"	16.019271
"865529"	364.249371	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-2H+NH4"	16.019271
"38415"	717.434866	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M-2H+Na"	20.974666
"476881"	1065.664966	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M-2H+Na"	20.974666
"849941"	369.204766	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-2H+Na"	20.974666
"1623119"	369.204766	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Na-2H"	20.974666
"98555"	365.211163	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M-H+Cl"	33.962126
"544681"	539.326213	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M-H+Cl"	33.962126
"939292"	191.096113	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-H+Cl"	33.962126
"278574"	731.429602	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+Cl"	34.969402
"674770"	1079.659702	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+Cl"	34.969402
"1288102"	383.199502	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Cl"	34.969402
"30334"	733.408806	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M-2H+K"	36.948606
"467708"	1081.638906	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M-2H+K"	36.948606
"846603"	385.178706	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-2H+K"	36.948606
"1568636"	385.178706	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+K-2H"	36.948606
"953602"	393.228294	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-H+HCOOH"	44.998194
"368538"	741.458401	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+HCOOH-H"	44.998201
"352421"	755.474051	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+Hac-H"	59.013851
"1503807"	407.243951	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Hac-H"	59.013851
"970256"	415.210251	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-H+NaCOOH"	66.980151
"118071"	383.199502	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+2Cl"	69.938804
"557631"	557.314552	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+2Cl"	69.938804
"1029712"	209.084452	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2Cl"	69.938804
"1250384"	427.148985	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Br"	78.918885
"1310647"	429.204972	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Cl+HCOOH"	80.974872
"1330332"	451.186929	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Cl+NaCOOH"	102.956829
"920294"	461.215686	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M-H+CF3COOH"	112.985586
"1300284"	497.192364	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Cl+CF3COOH"	148.962264
"1380631"	313.217424	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H-2H2O"	-35.012676
"1387194"	331.2274	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H-H2O"	-17.0027
"294535"	697.467476	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+H"	1.007276
"684769"	1045.697576	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+H"	1.007276
"1354921"	349.237376	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H"	1.007276
"130726"	349.237376	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+2H"	2.014552
"569193"	523.352426	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+2H"	2.014552
"1040180"	175.122326	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2H"	2.014552
"214643"	233.160676	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+3H"	3.021828
"654205"	349.237376	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+3H"	3.021828
"1167961"	117.083976	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+3H"	3.021828
"429045"	714.494023	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+NH4"	18.033823
"796605"	1062.724123	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+NH4"	18.033823
"1689655"	366.263923	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+NH4"	18.033823
"336838"	357.7506495	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+H+NH4"	19.041099
"735820"	531.8656995	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+H+NH4"	19.041099
"1488546"	183.6355995	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H+NH4"	19.041099
"401761"	719.449418	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+Na"	22.989218
"763849"	1067.679518	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+Na"	22.989218
"1609759"	371.219318	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Na"	22.989218
"327447"	360.228347	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+H+Na"	23.996494
"717682"	534.343397	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+H+Na"	23.996494
"1469317"	186.113297	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H+Na"	23.996494
"1056365"	124.41129	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2H+Na"	25.00377
"1262054"	381.263586	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+CH3OH+H"	33.033486
"381725"	735.423358	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+K"	38.963158
"741988"	1083.653458	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+K"	38.963158
"1541123"	387.193258	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+K"	38.963158
"300122"	368.215317	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+H+K"	39.970434
"692668"	542.330367	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+H+K"	39.970434
"1449651"	194.100267	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H+K"	39.970434
"241167"	738.494026	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+ACN+H"	42.033826
"1216063"	390.263926	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+ACN+H"	42.033826
"1198855"	195.635601	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+ACN+2H"	43.041102
"191724"	741.43136	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+2Na-H"	44.97116
"633477"	1089.66146	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+2Na-H"	44.97116
"1132971"	393.20126	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2Na-H"	44.97116
"181369"	371.219318	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+2Na"	45.978436
"619835"	545.334368	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+2Na"	45.978436
"1118603"	197.104268	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2Na"	45.978436
"1404679"	131.738604	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H+2Na"	46.985712
"1434609"	395.242846	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H+HCOOH"	47.012746
"227586"	376.25234	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+3H2O+2H"	56.04448
"1511273"	409.29489	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+IsoProp+H"	61.06479
"413147"	379.206288	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+Na+K"	61.952376
"773049"	553.321338	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+Na+K"	61.952376
"1668645"	205.091238	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Na+K"	61.952376
"255528"	760.475968	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+ACN+Na"	64.015768
"1230792"	412.245868	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+ACN+Na"	64.015768
"1715309"	412.269393	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+NH4+HCOOH"	64.039293
"1181764"	139.065918	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+3Na"	68.967654
"1653843"	417.224788	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Na+HCOOH"	68.994688
"160706"	773.37924	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+2K-H"	76.91904
"601359"	1121.60934	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+2K-H"	76.91904
"1094620"	425.14914	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2K-H"	76.91904
"148156"	387.193258	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"2M+2K"	77.926316
"593183"	561.308308	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"3M+2K"	77.926316
"1076602"	213.078208	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2K"	77.926316
"1106532"	427.163692	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2K+H"	78.933592
"1340730"	427.251307	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+DMSO+H"	79.021207
"1011448"	431.290476	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2ACN+H"	83.060376
"1535045"	432.284108	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+IsoProp+Na+H"	84.054008
"990680"	216.148876	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+2ACN+2H"	84.067652
"1591622"	433.198728	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+K+HCOOH"	84.968628
"1426031"	463.230238	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+H+CF3COOH"	115.000138
"1156319"	236.662151	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+3ACN+2H"	125.094202
"1708057"	480.256785	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+NH4+CF3COOH"	132.026685
"1639337"	485.21218	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+Na+CF3COOH"	136.98208
"1573893"	501.18612	"C05487"	"17alpha21-Dihydroxypregnenolone"	"C21H32O4"	"348.2301"	"M+K+CF3COOH"	152.95602
"815199"	346.2144	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M"	0
"985453"	327.19601	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"74789"	229.802324	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"509976"	345.207124	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"885593"	114.397524	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"1005"	345.207124	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"445914"	518.314324	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"823718"	172.099924	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"80063"	691.421524	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"523269"	1037.635924	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"896330"	345.207124	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"47461"	708.448071	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"490631"	1054.662471	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"865640"	362.233671	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"34150"	713.403466	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"474803"	1059.617866	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"851512"	367.189066	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1624323"	367.189066	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"98663"	363.195463	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"541511"	536.302663	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"938305"	190.088263	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"277591"	727.398202	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"675451"	1073.612602	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1287930"	381.183802	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"29351"	729.377406	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"468547"	1075.591806	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"842706"	383.163006	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1568380"	383.163006	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"952618"	391.212594	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"366826"	737.427001	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"352896"	751.442651	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1503916"	405.228251	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"967086"	413.194551	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"121461"	381.183802	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"558835"	554.291002	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1033102"	208.076602	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1251587"	425.133285	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1311850"	427.189272	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1332264"	449.171229	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"920404"	459.199986	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1297110"	495.176664	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1379285"	311.201724	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1393865"	329.2117	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"294646"	693.436076	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"687066"	1039.650476	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1355761"	347.221676	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"131929"	347.221676	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"572584"	520.328876	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1045758"	174.114476	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"213661"	231.816876	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"655408"	347.221676	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1169163"	116.412076	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"432433"	710.462623	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"795618"	1056.677023	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1690856"	364.248223	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"339134"	355.7349495	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"733742"	528.8421495	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1487563"	182.6277495	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"398953"	715.418018	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"760678"	1061.632418	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1609869"	369.203618	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"325371"	358.212647	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"719858"	531.319847	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1468332"	185.105447	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1060484"	123.73939	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1259612"	379.247886	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"384021"	731.391958	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"739547"	1077.606358	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1540220"	385.177558	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"298896"	366.199617	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"692658"	539.306817	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1448666"	193.092417	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"240549"	734.462626	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1213986"	388.248226	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1196777"	194.627751	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"188958"	737.39996	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"637962"	1083.61436	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1132474"	391.18556	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"182572"	369.203618	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"619945"	542.310818	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1118713"	196.096418	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1404789"	131.066704	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1434719"	393.227146	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"227696"	374.23664	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1511383"	407.27919	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"409608"	377.190588	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"773521"	550.297788	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1670580"	204.083388	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"254910"	756.444568	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1229810"	410.230168	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1715782"	410.253693	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1180779"	138.394018	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1653954"	415.209088	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"160814"	769.34784	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"606938"	1115.56224	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1092544"	423.13344	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"146079"	385.177558	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"586733"	558.284758	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1078899"	212.070358	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1106642"	425.147992	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1341932"	425.235607	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1011558"	429.274776	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1535155"	430.268408	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"990544"	215.141026	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1589546"	431.183028	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1422861"	461.214538	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1157523"	235.654301	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1707074"	478.241085	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1641634"	483.19648	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1574003"	499.17042	"C05488"	"11-Deoxycortisol;Cortodoxone"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"816992"	364.225	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M"	0
"985564"	345.20661	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-H2O-H"	-19.01839
"75994"	241.809390666667	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M-3H"	-3.021828
"507898"	363.217724	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M-3H"	-3.021828
"886794"	120.401057333333	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-3H"	-3.021828
"3185"	363.217724	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M-2H"	-2.014552
"446024"	545.330224	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M-2H"	-2.014552
"823828"	181.105224	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-2H"	-2.014552
"79810"	727.442724	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M-H"	-1.007276
"518758"	1091.667724	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M-H"	-1.007276
"896079"	363.217724	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-H"	-1.007276
"49356"	744.469271	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M-2H+NH4"	16.019271
"490741"	1108.694271	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M-2H+NH4"	16.019271
"865266"	380.244271	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-2H+NH4"	16.019271
"34260"	749.424666	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M-2H+Na"	20.974666
"474913"	1113.649666	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M-2H+Na"	20.974666
"854902"	385.199666	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-2H+Na"	20.974666
"1624433"	385.199666	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Na-2H"	20.974666
"99866"	381.206063	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M-H+Cl"	33.962126
"542714"	563.318563	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M-H+Cl"	33.962126
"938051"	199.093563	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-H+Cl"	33.962126
"277701"	763.419402	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+Cl"	34.969402
"675439"	1127.644402	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+Cl"	34.969402
"1285810"	399.194402	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Cl"	34.969402
"29461"	765.398606	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M-2H+K"	36.948606
"467563"	1129.623606	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M-2H+K"	36.948606
"842812"	401.173606	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-2H+K"	36.948606
"1564112"	401.173606	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+K-2H"	36.948606
"951997"	409.223194	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-H+HCOOH"	44.998194
"368026"	773.448201	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+HCOOH-H"	44.998201
"350816"	787.463851	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+Hac-H"	59.013851
"1496733"	423.238851	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Hac-H"	59.013851
"970475"	431.205151	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-H+NaCOOH"	66.980151
"120477"	399.194402	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+2Cl"	69.938804
"556756"	581.306902	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+2Cl"	69.938804
"1033942"	217.081902	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2Cl"	69.938804
"1254247"	443.143885	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Br"	78.918885
"1310867"	445.199872	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Cl+HCOOH"	80.974872
"1332738"	467.181829	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Cl+NaCOOH"	102.956829
"920514"	477.210586	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M-H+CF3COOH"	112.985586
"1293941"	513.187264	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Cl+CF3COOH"	148.962264
"1379759"	329.212324	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H-2H2O"	-35.012676
"1393975"	347.2223	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H-H2O"	-17.0027
"291477"	729.457276	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+H"	1.007276
"684990"	1093.682276	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+H"	1.007276
"1353684"	365.232276	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H"	1.007276
"130946"	365.232276	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+2H"	2.014552
"570508"	547.344776	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+2H"	2.014552
"1043682"	183.119776	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2H"	2.014552
"212678"	243.823942666667	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+3H"	3.021828
"653330"	365.232276	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+3H"	3.021828
"1170367"	122.415609333333	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+3H"	3.021828
"432543"	746.483823	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+NH4"	18.033823
"795728"	1110.708823	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+NH4"	18.033823
"1687686"	382.258823	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+NH4"	18.033823
"340337"	373.7455495	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+H+NH4"	19.041099
"730572"	555.8580495	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+H+NH4"	19.041099
"1482570"	191.6330495	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H+NH4"	19.041099
"398699"	751.439218	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+Na"	22.989218
"758601"	1115.664218	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+Na"	22.989218
"1607791"	387.214218	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Na"	22.989218
"322201"	376.223247	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+H+Na"	23.996494
"714623"	558.335747	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+H+Na"	23.996494
"1476219"	194.110747	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H+Na"	23.996494
"1063874"	129.742923333333	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2H+Na"	25.00377
"1259357"	397.258486	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+CH3OH+H"	33.033486
"378662"	767.413158	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+K"	38.963158
"738657"	1131.638158	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+K"	38.963158
"1540615"	403.188158	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+K"	38.963158
"299977"	384.210217	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+H+K"	39.970434
"692400"	566.322717	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+H+K"	39.970434
"1446342"	202.097717	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H+K"	39.970434
"237741"	770.483826	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+ACN+H"	42.033826
"1213003"	406.258826	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+ACN+H"	42.033826
"1197982"	203.633051	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+ACN+2H"	43.041102
"190853"	773.42116	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+2Na-H"	44.97116
"633332"	1137.64616	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+2Na-H"	44.97116
"1133558"	409.19616	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2Na-H"	44.97116
"173932"	387.214218	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+2Na"	45.978436
"613289"	569.326718	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+2Na"	45.978436
"1119915"	205.101718	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2Na"	45.978436
"1402710"	137.070237333333	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H+2Na"	46.985712
"1435557"	411.237746	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H+HCOOH"	47.012746
"227806"	392.24724	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+3H2O+2H"	56.04448
"1512952"	425.28979	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+IsoProp+H"	61.06479
"411178"	395.201188	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+Na+K"	61.952376
"772173"	577.313688	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+Na+K"	61.952376
"1668137"	213.088688	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Na+K"	61.952376
"253927"	792.465768	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+ACN+Na"	64.015768
"1229556"	428.240768	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+ACN+Na"	64.015768
"1716256"	428.264293	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+NH4+HCOOH"	64.039293
"1183077"	144.397551333333	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+3Na"	68.967654
"1657345"	433.219688	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Na+HCOOH"	68.994688
"163112"	805.36904	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+2K-H"	76.91904
"609965"	1169.59404	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+2K-H"	76.91904
"1092654"	441.14404	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2K-H"	76.91904
"148375"	403.188158	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"2M+2K"	77.926316
"589028"	585.300658	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"3M+2K"	77.926316
"1079008"	221.075658	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2K"	77.926316
"1107847"	443.158592	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2K+H"	78.933592
"1342044"	443.246207	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+DMSO+H"	79.021207
"1014949"	447.285376	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2ACN+H"	83.060376
"1535265"	448.279008	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+IsoProp+Na+H"	84.054008
"991872"	224.146326	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+2ACN+2H"	84.067652
"1588074"	449.193628	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+K+HCOOH"	84.968628
"1425158"	479.225138	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+H+CF3COOH"	115.000138
"1158726"	244.659601	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+3ACN+2H"	125.094202
"1707184"	496.251685	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+NH4+CF3COOH"	132.026685
"1641744"	501.20708	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+Na+CF3COOH"	136.98208
"1574113"	517.18102	"C05489"	"11beta17alpha21-Trihydroxypregnenolone"	"C21H32O5"	"364.225"	"M+K+CF3COOH"	152.95602
"816028"	344.1988	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M"	0
"986767"	325.18041	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-H2O-H"	-19.01839
"77202"	228.458590666667	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M-3H"	-3.021828
"510196"	343.191524	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M-3H"	-3.021828
"881438"	113.725657333333	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-3H"	-3.021828
"3295"	343.191524	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M-2H"	-2.014552
"440179"	515.290924	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M-2H"	-2.014552
"817418"	171.092124	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-2H"	-2.014552
"78701"	687.390324	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M-H"	-1.007276
"519237"	1031.589124	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M-H"	-1.007276
"901293"	343.191524	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-H"	-1.007276
"47191"	704.416871	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M-2H+NH4"	16.019271
"490852"	1048.615671	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M-2H+NH4"	16.019271
"865128"	360.218071	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-2H+NH4"	16.019271
"34370"	709.372266	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M-2H+Na"	20.974666
"475023"	1053.571066	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M-2H+Na"	20.974666
"860479"	365.173466	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-2H+Na"	20.974666
"1624544"	365.173466	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Na-2H"	20.974666
"98885"	361.179863	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M-H+Cl"	33.962126
"537348"	533.279263	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M-H+Cl"	33.962126
"939985"	189.080463	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-H+Cl"	33.962126
"277448"	723.367002	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+Cl"	34.969402
"674246"	1067.565802	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+Cl"	34.969402
"1286287"	379.168202	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Cl"	34.969402
"27018"	725.346206	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M-2H+K"	36.948606
"464027"	1069.545006	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M-2H+K"	36.948606
"842922"	381.147406	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-2H+K"	36.948606
"1568233"	381.147406	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+K-2H"	36.948606
"948827"	389.196994	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-H+HCOOH"	44.998194
"369229"	733.395801	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+HCOOH-H"	44.998201
"352020"	747.411451	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+Hac-H"	59.013851
"1499027"	403.212651	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Hac-H"	59.013851
"962197"	411.178951	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-H+NaCOOH"	66.980151
"115112"	379.168202	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+2Cl"	69.938804
"557959"	551.267602	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+2Cl"	69.938804
"1033322"	207.068802	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2Cl"	69.938804
"1251805"	423.117685	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Br"	78.918885
"1309881"	425.173672	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Cl+HCOOH"	80.974872
"1331751"	447.155629	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Cl+NaCOOH"	102.956829
"920624"	457.184386	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M-H+CF3COOH"	112.985586
"1295144"	493.161064	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Cl+CF3COOH"	148.962264
"1379869"	309.186124	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H-2H2O"	-35.012676
"1394085"	327.1961	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H-H2O"	-17.0027
"292680"	689.404876	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+H"	1.007276
"684008"	1033.603676	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+H"	1.007276
"1352701"	345.206076	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H"	1.007276
"131056"	345.206076	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+2H"	2.014552
"572805"	517.305476	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+2H"	2.014552
"1044885"	173.106676	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2H"	2.014552
"216068"	230.473142666667	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+3H"	3.021828
"653440"	345.206076	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+3H"	3.021828
"1170477"	115.740209333333	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+3H"	3.021828
"432653"	706.431423	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+NH4"	18.033823
"791465"	1050.630223	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+NH4"	18.033823
"1686703"	362.232623	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+NH4"	18.033823
"339354"	353.7193495	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+H+NH4"	19.041099
"725579"	525.8187495	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+H+NH4"	19.041099
"1481587"	181.6199495	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H+NH4"	19.041099
"396985"	711.386818	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+Na"	22.989218
"756522"	1055.585618	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+Na"	22.989218
"1604985"	367.188018	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Na"	22.989218
"324498"	356.197047	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+H+Na"	23.996494
"719107"	528.296447	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+H+Na"	23.996494
"1470740"	184.097647	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H+Na"	23.996494
"1062891"	123.067523333333	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2H+Na"	25.00377
"1262383"	377.232286	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+CH3OH+H"	33.033486
"381324"	727.360758	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+K"	38.963158
"739038"	1071.559558	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+K"	38.963158
"1541089"	383.161958	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+K"	38.963158
"299235"	364.184017	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+H+K"	39.970434
"692875"	536.283417	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+H+K"	39.970434
"1447058"	192.084617	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H+K"	39.970434
"238216"	730.431426	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+ACN+H"	42.033826
"1211047"	386.232626	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+ACN+H"	42.033826
"1198092"	193.619951	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+ACN+2H"	43.041102
"192056"	733.36876	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+2Na-H"	44.97116
"633442"	1077.56756	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+2Na-H"	44.97116
"1133668"	389.16996	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2Na-H"	44.97116
"174042"	367.188018	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+2Na"	45.978436
"614330"	539.287418	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+2Na"	45.978436
"1119296"	195.088618	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2Na"	45.978436
"1405009"	130.394837333333	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H+2Na"	46.985712
"1435302"	391.211546	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H+HCOOH"	47.012746
"225729"	372.22104	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+3H2O+2H"	56.04448
"1512698"	405.26359	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+IsoProp+H"	61.06479
"412019"	375.174988	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+Na+K"	61.952376
"775200"	547.274388	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+Na+K"	61.952376
"1668977"	203.075588	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Na+K"	61.952376
"255133"	752.413368	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+ACN+Na"	64.015768
"1229662"	408.214568	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+ACN+Na"	64.015768
"1716002"	408.238093	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+NH4+HCOOH"	64.039293
"1183187"	137.722151333333	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+3Na"	68.967654
"1656361"	413.193488	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Na+HCOOH"	68.994688
"169784"	765.31664	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+2K-H"	76.91904
"609347"	1109.51544	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+2K-H"	76.91904
"1093858"	421.11784	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2K-H"	76.91904
"146300"	383.161958	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"2M+2K"	77.926316
"588047"	555.261358	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"3M+2K"	77.926316
"1073652"	211.062558	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2K"	77.926316
"1102851"	423.132392	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2K+H"	78.933592
"1342156"	423.220007	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+DMSO+H"	79.021207
"1011778"	427.259176	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2ACN+H"	83.060376
"1535012"	428.252808	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+IsoProp+Na+H"	84.054008
"996356"	214.133226	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+2ACN+2H"	84.067652
"1593047"	429.167428	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+K+HCOOH"	84.968628
"1426362"	459.198938	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+H+CF3COOH"	115.000138
"1159931"	234.646501	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+3ACN+2H"	125.094202
"1710575"	476.225485	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+NH4+CF3COOH"	132.026685
"1648415"	481.18088	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+Na+CF3COOH"	136.98208
"1579692"	497.15482	"C05490"	"11-Dehydrocorticosterone"	"C21H28O4"	"344.1988"	"M+K+CF3COOH"	152.95602
"816750"	346.2144	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M"	0
"989521"	327.19601	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"78006"	229.802324	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"516992"	345.207124	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"887016"	114.397524	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"11791"	345.207124	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"450620"	518.314324	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"828058"	172.099924	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"84040"	691.421524	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"524694"	1037.635924	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"904683"	345.207124	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"47546"	708.448071	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"494242"	1054.662471	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"867671"	362.233671	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"39947"	713.403466	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"479506"	1059.617866	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"857309"	367.189066	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1624654"	367.189066	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"98995"	363.195463	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"537458"	536.302663	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"940459"	190.088263	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"278651"	727.398202	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"675086"	1073.612602	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1286032"	381.183802	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"25673"	729.377406	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"468514"	1075.591806	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"845948"	383.163006	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1570167"	383.163006	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"951124"	391.212594	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"373713"	737.427001	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"357599"	751.442651	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1499869"	405.228251	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"969599"	413.194551	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"116319"	381.183802	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"564147"	554.291002	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1033798"	208.076602	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1254467"	425.133285	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1317645"	427.189272	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1328581"	449.171229	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"920733"	459.199986	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1296348"	495.176664	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1379979"	311.201724	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1393103"	329.2117	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"296070"	693.436076	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"686305"	1039.650476	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1356089"	347.221676	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"134446"	347.221676	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"571821"	520.328876	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1040620"	174.114476	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"215084"	231.816876	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"653550"	347.221676	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1170586"	116.412076	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"432763"	710.462623	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"798135"	1056.677023	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1687906"	364.248223	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"341651"	355.7349495	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"727876"	528.8421495	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1482790"	182.6277495	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"398919"	715.418018	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"761008"	1061.632418	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1606921"	369.203618	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"320235"	358.212647	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"714844"	531.319847	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1465748"	185.105447	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1059722"	123.73939	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1261403"	379.247886	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"383258"	731.391958	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"745346"	1077.606358	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1540715"	385.177558	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"300562"	366.199617	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"692379"	539.306817	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1446925"	193.092417	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"236866"	734.462626	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1210669"	388.248226	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1195529"	194.627751	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"191072"	737.39996	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"629906"	1083.61436	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1132925"	391.18556	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"175974"	369.203618	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"616628"	542.310818	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1121228"	196.096418	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1407306"	131.066704	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1434683"	393.227146	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"228027"	374.23664	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1516088"	407.27919	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"417962"	377.190588	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"774582"	550.297788	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1669088"	204.083388	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"253419"	756.444568	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1228679"	410.230168	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1717933"	410.253693	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1186576"	138.394018	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1658657"	415.209088	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"162239"	769.34784	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"608733"	1115.56224	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1095061"	423.13344	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"147503"	385.177558	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"587064"	558.284758	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1073762"	212.070358	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1101868"	425.147992	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1344452"	425.235607	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1010795"	429.274776	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1535852"	430.268408	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"998653"	215.141026	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1597531"	431.183028	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1426471"	461.214538	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1158947"	235.654301	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1709591"	478.241085	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1648525"	483.19648	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1579802"	499.17042	"C05497"	"21-Deoxycortisol;4-Pregnene-11beta17alpha-diol-320-dione;11beta17alpha-Dihydroxyprogesterone"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"815276"	330.2195	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M"	0
"988083"	311.20111	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"76323"	219.139057333333	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"515885"	329.212224	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"889313"	109.065890666667	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"8985"	329.212224	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"449637"	494.321974	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"821972"	164.102474	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"80382"	659.431724	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"522617"	989.651224	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"900419"	329.212224	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"48597"	676.458271	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"489007"	1006.677771	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"865711"	346.238771	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"37870"	681.413666	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"476336"	1011.633166	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"857417"	351.194166	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1623670"	351.194166	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"99103"	347.200563	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"536475"	512.310313	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"939840"	182.090813	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"278396"	695.408402	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"675400"	1025.627902	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1286871"	365.188902	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"25783"	697.387606	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"470691"	1027.607106	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"846423"	367.168106	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1561165"	367.168106	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"951235"	375.217694	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"370544"	705.437201	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"352242"	719.452851	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1499981"	389.233351	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"971898"	397.199651	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"119346"	365.188902	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"564378"	530.298652	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1034272"	200.079152	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1255672"	409.138385	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1313381"	411.194372	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1330878"	433.176329	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"924124"	443.205086	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1296462"	479.181764	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1371344"	295.206824	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1395404"	313.2168	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"295088"	661.446276	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"690789"	991.665776	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1358388"	331.226776	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"132372"	331.226776	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"569744"	496.336526	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1048387"	166.117026	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"216289"	221.153609333333	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"653661"	331.226776	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1167780"	111.080442666667	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"428138"	678.472823	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"789861"	1008.692323	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1686193"	348.253323	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"331554"	339.7400495	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"723366"	504.8497995	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1478890"	174.6302995	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"395382"	683.428218	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"756014"	1013.647718	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1604840"	353.208718	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"317429"	342.217747	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"708149"	507.327497	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1464762"	177.107997	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1057281"	118.407756666667	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1263699"	363.252986	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"380088"	699.402158	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"740350"	1029.621658	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1541309"	369.182658	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"300672"	350.204717	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"692368"	515.314467	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1447649"	185.094967	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"240628"	702.472826	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1212243"	372.253326	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1200137"	186.630301	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"189602"	705.41016	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"628920"	1035.62966	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1134980"	375.19066	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"176084"	353.208718	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"618197"	518.318468	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1121338"	188.098968	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1405592"	125.735070666667	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1437345"	377.232246	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"224124"	358.24174	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1522760"	391.28429	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"418073"	361.195688	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"775787"	526.305438	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1672116"	196.085938	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"256449"	724.454768	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1228060"	394.235268	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1715856"	394.258793	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1188876"	133.062384666667	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1659862"	399.214188	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"168918"	737.35804	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"608477"	1067.57754	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1095172"	407.13854	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"149801"	369.182658	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"590454"	534.292408	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1081527"	204.072908	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1108177"	409.153092	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1348579"	409.240707	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1017469"	413.279876	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1538151"	414.273508	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"1000951"	207.143576	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1600921"	415.188128	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1426581"	445.219638	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1162338"	227.656851	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1712459"	462.246185	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1648635"	467.20158	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1579912"	483.17552	"C05498"	"11beta-Hydroxyprogesterone"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"817043"	418.3447	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M"	0
"989897"	399.32631	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"78538"	277.889190666667	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"518516"	417.337424	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"895259"	138.440957333333	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"11282"	417.337424	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"453394"	626.509774	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"827550"	208.165074	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"89728"	835.682124	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"529289"	1254.026824	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"901623"	417.337424	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"60009"	852.708671	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"498838"	1271.053371	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"871173"	434.363971	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"41261"	857.664066	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"480822"	1276.008766	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"858625"	439.319366	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1624876"	439.319366	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"100310"	435.325763	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"539868"	644.498113	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"937763"	226.153413	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"280573"	871.658802	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"675513"	1290.003502	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1288161"	453.314102	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"31087"	873.638006	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"471235"	1291.982706	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"839973"	455.293306	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1562370"	455.293306	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"954261"	463.342894	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"371384"	881.687601	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"351260"	895.703251	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1501917"	477.358551	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"971645"	485.324851	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"124806"	453.314102	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"564855"	662.486452	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1035477"	244.141752	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1255419"	497.263585	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1315680"	499.319572	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1330624"	521.301529	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"926181"	531.330286	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1297667"	567.306964	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1379111"	383.332024	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1396605"	401.342	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"294105"	837.696676	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"688714"	1256.041376	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1357406"	419.351976	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"135763"	419.351976	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"575329"	628.524326	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1050687"	210.179626	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"216401"	279.903742666667	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"653771"	419.351976	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1164973"	140.455509333333	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"426791"	854.723223	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"787055"	1273.067923	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1683387"	436.378523	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"330568"	427.8652495	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"724449"	637.0375995	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1480456"	218.6928995	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"400230"	859.678618	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"754664"	1278.023318	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1606774"	441.333918	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"317539"	430.342947	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"720531"	639.515297	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1466333"	221.170597	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1056299"	147.782823333333	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1263811"	451.378186	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"382385"	875.652558	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"743379"	1293.997258	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1541423"	457.307858	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"299693"	438.329917	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"692112"	647.502267	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1447030"	229.157567	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"238552"	878.723226	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1210078"	460.378526	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1196966"	230.692901	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"199683"	881.66056	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"640336"	1300.00526	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1138737"	463.31586	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"183122"	441.333918	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"620133"	650.506268	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1119263"	232.161568	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1403516"	155.110137333333	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1433444"	465.357446	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"231528"	446.36694	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1517402"	479.40949	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"418182"	449.320888	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"774802"	658.493238	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1672226"	240.148538	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"254009"	900.705168	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1228176"	482.360468	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1714872"	482.383993	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1192267"	162.437451333333	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1663254"	487.339388	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"170120"	913.60844	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"610409"	1331.95314	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1097477"	495.26374	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"153927"	457.307858	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"594219"	666.480208	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1082736"	248.135508	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1113761"	497.278292	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1350147"	497.365907	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1020136"	501.405076	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1538873"	502.398708	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"1004955"	251.206176	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1601406"	503.313328	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1429534"	533.344838	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1162726"	271.719451	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1712001"	550.371385	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1648745"	555.32678	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1586583"	571.30072	"C05499"	"17alpha20alpha-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"807108"	402.3498	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M"	0
"988297"	383.33141	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"77392"	267.225924	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"513915"	401.342524	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"895209"	133.109324	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"12481"	401.342524	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"449858"	602.517424	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"827660"	200.167624	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"89838"	803.692324	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"530492"	1206.042124	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"905014"	401.342524	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"55015"	820.718871	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"493481"	1223.068671	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"868003"	418.369071	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"35904"	825.674266	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"479839"	1228.024066	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"854361"	423.324466	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1622799"	423.324466	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"100420"	419.330863	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"537789"	620.505763	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"941155"	218.155963	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"281533"	839.669002	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"675619"	1242.018802	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1287702"	437.319202	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"31362"	841.648206	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"469939"	1243.998006	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"837167"	439.298406	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1559564"	439.298406	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"954735"	447.347994	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"370764"	849.697801	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"351368"	863.713451	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1499110"	461.363651	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"969933"	469.329951	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"125287"	437.319202	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"565330"	638.494102	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1035588"	236.144302	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1256951"	481.268685	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1319641"	483.324672	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1333286"	505.306629	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"925440"	515.335386	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1299963"	551.312064	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1380314"	367.337124	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1396715"	385.3471	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"293121"	805.706876	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"690647"	1208.056676	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1359703"	403.357076	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"135873"	403.357076	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"577626"	604.531976	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1050677"	202.182176	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"213232"	269.240476	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"658017"	403.357076	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1166176"	135.123876	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"429452"	822.733423	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"788260"	1225.083223	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1684591"	420.383623	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"331409"	411.8703495	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"724560"	613.0452495	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1479472"	210.6954495	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"394871"	827.688818	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"755139"	1230.038618	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1606160"	425.339018	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"316921"	414.348047	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"715174"	615.522947	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1464256"	213.173147	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1053979"	142.45119	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1258454"	435.383286	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"380306"	843.662758	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"741664"	1246.012558	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1542263"	441.312958	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"298830"	422.335017	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"692222"	623.509917	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1446777"	221.160117	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"243037"	846.733426	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1213558"	444.383626	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1200358"	222.695451	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"198332"	849.67076	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"639716"	1252.02056	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1138483"	447.32096	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"177398"	425.339018	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"623887"	626.513918	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1124112"	224.164118	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1402532"	149.778504	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1432826"	449.362546	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"231638"	430.37204	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1517512"	463.41459	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"418292"	433.325988	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"776005"	634.500888	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1669056"	232.151088	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"253391"	868.715368	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1227192"	466.365568	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1713281"	466.389093	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1188004"	157.105818	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1662636"	471.344488	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"168768"	881.61864	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"608328"	1283.96844	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1096856"	479.26884	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"154036"	441.312958	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"595904"	642.487858	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1082481"	240.138058	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1109860"	481.283392	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1349526"	481.371007	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1021017"	485.410176	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1538003"	486.403808	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"1004816"	243.208726	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1602441"	487.318428	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1429481"	517.349938	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1160369"	263.722001	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1712475"	534.376485	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1648491"	539.33188	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1586693"	555.30582	"C05500"	"20alpha-Hydroxycholesterol;20-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"807218"	418.3447	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M"	0
"988407"	399.32631	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"77867"	277.889190666667	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"511838"	417.337424	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"894506"	138.440957333333	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"12591"	417.337424	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"446688"	626.509774	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"825583"	208.165074	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"89584"	835.682124	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"530238"	1254.026824	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"906217"	417.337424	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"51844"	852.708671	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"493591"	1271.053371	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"865803"	434.363971	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"32855"	857.664066	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"479949"	1276.008766	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"853377"	439.319366	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1622909"	439.319366	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"101623"	435.325763	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"537899"	644.498113	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"936885"	226.153413	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"274346"	871.658802	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"672241"	1290.003502	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1286474"	453.314102	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"29761"	873.638006	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"470050"	1291.982706	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"835819"	455.293306	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1558216"	455.293306	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"953752"	463.342894	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"369781"	881.687601	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"349291"	895.703251	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1500313"	477.358551	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"969679"	485.324851	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"124745"	453.314102	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"562886"	662.486452	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1036752"	244.141752	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1256856"	497.263585	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1318087"	499.319572	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1330844"	521.301529	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"926279"	531.330286	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1302259"	567.306964	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1379331"	383.332024	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1394638"	401.342	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"293231"	837.696676	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"687840"	1256.041376	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1359813"	419.351976	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"135983"	419.351976	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"580652"	628.524326	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1052126"	210.179626	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"213341"	279.903742666667	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"657275"	419.351976	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1166286"	140.455509333333	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"428833"	854.723223	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"788005"	1273.067923	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1685065"	436.378523	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"331882"	427.8652495	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"723942"	637.0375995	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1481406"	218.6928995	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"396075"	859.678618	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"755124"	1278.023318	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1606270"	441.333918	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"316301"	430.342947	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"715284"	639.515297	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1466553"	221.170597	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1055060"	147.782823333333	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1258927"	451.378186	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"380416"	875.652558	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"739951"	1293.997258	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1541277"	457.307858	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"298817"	438.329917	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"691878"	647.502267	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1448341"	229.157567	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"236582"	878.723226	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1212939"	460.378526	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1194357"	230.692901	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"188584"	881.66056	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"630712"	1300.00526	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1132882"	463.31586	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"173332"	441.333918	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"616705"	650.506268	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1116683"	232.161568	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1400089"	155.110137333333	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1433300"	465.357446	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"228468"	446.36694	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1517621"	479.40949	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"417308"	449.320888	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"772835"	658.493238	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1669166"	240.148538	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"252772"	900.705168	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1227666"	482.360468	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1713106"	482.383993	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1187021"	162.437451333333	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1659466"	487.339388	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"167057"	913.60844	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"605158"	1331.95314	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1094048"	495.26374	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"152324"	457.307858	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"591519"	666.480208	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1080403"	248.135508	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1109241"	497.278292	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1349272"	497.365907	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1020353"	501.405076	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1538113"	502.398708	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"1004197"	251.206176	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1602470"	503.313328	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1429346"	533.344838	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1160115"	271.719451	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1712100"	550.371385	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1648844"	555.32678	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1586803"	571.30072	"C05501"	"20alpha22beta-Dihydroxycholesterol;(22R)-20alpha22-Dihydroxycholesterol"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"816948"	402.3498	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M"	0
"988517"	383.33141	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"77854"	267.225924	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"510857"	401.342524	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"895221"	133.109324	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"15257"	401.342524	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"450078"	602.517424	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"825693"	200.167624	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"87872"	803.692324	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"527433"	1206.042124	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"903047"	401.342524	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"53048"	820.718871	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"496982"	1223.068671	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"868223"	418.369071	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"42686"	825.674266	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"477872"	1228.024066	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"852394"	423.324466	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1625208"	423.324466	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"99548"	419.330863	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"542389"	620.505763	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"939913"	218.155963	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"272271"	839.669002	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"674301"	1242.018802	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1287803"	437.319202	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"30601"	841.648206	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"470404"	1243.998006	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"834110"	439.298406	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1558690"	439.298406	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"953861"	447.347994	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"366612"	849.697801	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"349402"	863.713451	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1496051"	461.363651	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"972342"	469.329951	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"123436"	437.319202	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"564090"	638.494102	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1036539"	236.144302	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1254656"	481.268685	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1318926"	483.324672	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1333142"	505.306629	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"926149"	515.335386	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1300183"	551.312064	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1381627"	367.337124	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1390377"	385.3471	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"295528"	805.706876	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"689044"	1208.056676	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1362112"	403.357076	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"136093"	403.357076	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"581126"	604.531976	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1052112"	202.182176	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"215639"	269.240476	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"657385"	403.357076	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1168221"	135.123876	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"428942"	822.733423	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"789936"	1225.083223	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1685174"	420.383623	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"333819"	411.8703495	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"723685"	613.0452495	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1479694"	210.6954495	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"395093"	827.688818	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"757185"	1230.038618	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1606380"	425.339018	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"321881"	414.348047	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"716488"	615.522947	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1468123"	213.173147	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1056996"	142.45119	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1261226"	435.383286	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"381622"	843.662758	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"743708"	1246.012558	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1542484"	441.312958	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"300391"	422.335017	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"691506"	623.509917	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1446387"	221.160117	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"236690"	846.733426	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1216329"	444.383626	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1199120"	222.695451	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"201105"	849.67076	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"634103"	1252.02056	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1135787"	447.32096	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"177984"	425.339018	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"614628"	626.513918	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1116673"	224.164118	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1401293"	149.778504	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1434507"	449.362546	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"228214"	430.37204	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1517731"	463.41459	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"416325"	433.325988	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"772944"	634.500888	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1665698"	232.151088	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"255797"	868.715368	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1226318"	466.365568	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1713382"	466.389093	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1183848"	157.105818	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1660669"	471.344488	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"167164"	881.61864	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"604905"	1283.96844	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1098895"	479.26884	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"154617"	441.312958	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"595635"	642.487858	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1079781"	240.138058	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1114336"	481.283392	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1349745"	481.371007	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1018640"	485.410176	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1538951"	486.403808	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"1001392"	243.208726	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1602215"	487.318428	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1428115"	517.349938	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1160591"	263.722001	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1710994"	534.376485	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1649075"	539.33188	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1586913"	555.30582	"C05502"	"22(R)-Hydroxycholesterol;(22R)-22-Hydroxycholesterol;22beta-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"816069"	448.2097	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M"	0
"988627"	429.19131	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-H2O-H"	-19.01839
"76871"	297.799190666667	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M-3H"	-3.021828
"514247"	447.202424	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M-3H"	-3.021828
"893873"	148.395957333333	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-3H"	-3.021828
"14152"	447.202424	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M-2H"	-2.014552
"450188"	671.307274	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M-2H"	-2.014552
"823616"	223.097574	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-2H"	-2.014552
"89075"	895.412124	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M-H"	-1.007276
"527543"	1343.621824	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M-H"	-1.007276
"899877"	447.202424	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-H"	-1.007276
"53158"	912.438671	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M-2H+NH4"	16.019271
"497092"	1360.648371	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M-2H+NH4"	16.019271
"868333"	464.228971	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-2H+NH4"	16.019271
"42796"	917.394066	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M-2H+Na"	20.974666
"475795"	1365.603766	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M-2H+Na"	20.974666
"851411"	469.184366	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-2H+Na"	20.974666
"1625318"	469.184366	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Na-2H"	20.974666
"99658"	465.190763	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M-H+Cl"	33.962126
"542499"	689.295613	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M-H+Cl"	33.962126
"940023"	241.085913	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-H+Cl"	33.962126
"272381"	931.388802	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+Cl"	34.969402
"674411"	1379.598502	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+Cl"	34.969402
"1285959"	483.179102	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Cl"	34.969402
"27428"	933.368006	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M-2H+K"	36.948606
"469905"	1381.577706	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M-2H+K"	36.948606
"840418"	485.158306	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-2H+K"	36.948606
"1560624"	485.158306	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+K-2H"	36.948606
"946318"	493.207894	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-H+HCOOH"	44.998194
"362347"	941.417601	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+HCOOH-H"	44.998201
"346595"	955.433251	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+Hac-H"	59.013851
"1496161"	507.223551	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Hac-H"	59.013851
"968078"	515.189851	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-H+NaCOOH"	66.980151
"118079"	483.179102	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+2Cl"	69.938804
"559826"	707.283952	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+2Cl"	69.938804
"1031906"	259.074252	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2Cl"	69.938804
"1248205"	527.128585	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Br"	78.918885
"1318672"	529.184572	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Cl+HCOOH"	80.974872
"1332522"	551.166529	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Cl+NaCOOH"	102.956829
"923586"	561.195286	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M-H+CF3COOH"	112.985586
"1300293"	597.171964	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Cl+CF3COOH"	148.962264
"1378457"	413.197024	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H-2H2O"	-35.012676
"1390487"	431.207	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H-H2O"	-17.0027
"294545"	897.426676	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+H"	1.007276
"686968"	1345.636376	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+H"	1.007276
"1360035"	449.216976	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H"	1.007276
"138390"	449.216976	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+2H"	2.014552
"576858"	673.321826	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+2H"	2.014552
"1048938"	225.112126	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2H"	2.014552
"214655"	299.813742666667	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+3H"	3.021828
"658468"	449.216976	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+3H"	3.021828
"1169425"	150.410509333333	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+3H"	3.021828
"427231"	914.453223	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+NH4"	18.033823
"786888"	1362.662923	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+NH4"	18.033823
"1683098"	466.243523	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+NH4"	18.033823
"333564"	457.7302495	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+H+NH4"	19.041099
"723066"	681.8350995	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+H+NH4"	19.041099
"1479439"	233.6253995	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H+NH4"	19.041099
"394475"	919.408618	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+Na"	22.989218
"756567"	1367.618318	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+Na"	22.989218
"1607584"	471.198918	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Na"	22.989218
"321991"	460.207947	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+H+Na"	23.996494
"713318"	684.312797	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+H+Na"	23.996494
"1468233"	236.103097	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H+Na"	23.996494
"1059294"	157.737823333333	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2H+Na"	25.00377
"1264252"	481.243186	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+CH3OH+H"	33.033486
"381732"	935.382558	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+K"	38.963158
"743819"	1383.592258	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+K"	38.963158
"1540528"	487.172858	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+K"	38.963158
"299771"	468.194917	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+H+K"	39.970434
"692310"	692.299767	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+H+K"	39.970434
"1447105"	244.090067	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H+K"	39.970434
"237041"	938.453226	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+ACN+H"	42.033826
"1214982"	490.243526	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+ACN+H"	42.033826
"1198137"	245.625401	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+ACN+2H"	43.041102
"200851"	941.39056	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+2Na-H"	44.97116
"634578"	1389.60026	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+2Na-H"	44.97116
"1137719"	493.18086	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2Na-H"	44.97116
"178094"	471.198918	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+2Na"	45.978436
"617290"	695.303768	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+2Na"	45.978436
"1117513"	247.094068	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2Na"	45.978436
"1402132"	165.065137333333	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H+2Na"	46.985712
"1437897"	495.222446	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H+HCOOH"	47.012746
"229417"	476.23194	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+3H2O+2H"	56.04448
"1520393"	509.27449	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+IsoProp+H"	61.06479
"416433"	479.185888	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+Na+K"	61.952376
"775241"	703.290738	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+Na+K"	61.952376
"1667319"	255.081038	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Na+K"	61.952376
"255907"	960.435168	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+ACN+Na"	64.015768
"1228615"	512.225468	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+ACN+Na"	64.015768
"1716408"	512.248993	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+NH4+HCOOH"	64.039293
"1183958"	172.392451333333	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+3Na"	68.967654
"1659320"	517.204388	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Na+HCOOH"	68.994688
"163264"	973.33844	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+2K-H"	76.91904
"601367"	1421.54814	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+2K-H"	76.91904
"1090255"	525.12874	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2K-H"	76.91904
"150716"	487.172858	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"2M+2K"	77.926316
"586629"	711.277708	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"3M+2K"	77.926316
"1076610"	263.068008	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2K"	77.926316
"1108730"	527.143292	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2K+H"	78.933592
"1342927"	527.230907	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+DMSO+H"	79.021207
"1010364"	531.270076	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2ACN+H"	83.060376
"1530675"	532.263708	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+IsoProp+Na+H"	84.054008
"993847"	266.138676	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+2ACN+2H"	84.067652
"1592724"	533.178328	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+K+HCOOH"	84.968628
"1422756"	563.209838	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+H+CF3COOH"	115.000138
"1157419"	286.651951	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+3ACN+2H"	125.094202
"1709160"	580.236385	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+NH4+CF3COOH"	132.026685
"1641530"	585.19178	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+Na+CF3COOH"	136.98208
"1572807"	601.16572	"C05503"	"Estradiol-17beta 3-glucuronide;17beta-Estradiol 3-(beta-D-glucuronide)"	"C24H32O8"	"448.2097"	"M+K+CF3COOH"	152.95602
"815936"	464.2046	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M"	0
"988737"	445.18621	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H2O-H"	-19.01839
"75888"	308.462457333333	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-3H"	-3.021828
"514357"	463.197324	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-3H"	-3.021828
"888879"	153.727590666667	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-3H"	-3.021828
"15278"	463.197324	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H"	-2.014552
"454186"	695.299624	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H"	-2.014552
"822633"	231.095024	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H"	-2.014552
"90277"	927.401924	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-H"	-1.007276
"524372"	1391.606524	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-H"	-1.007276
"903267"	463.197324	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H"	-1.007276
"58736"	944.428471	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+NH4"	16.019271
"497202"	1408.633071	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+NH4"	16.019271
"868443"	480.223871	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+NH4"	16.019271
"39625"	949.383866	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+Na"	20.974666
"473108"	1413.588466	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+Na"	20.974666
"853707"	485.179266	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+Na"	20.974666
"1624334"	485.179266	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na-2H"	20.974666
"100861"	481.185663	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-H+Cl"	33.962126
"543702"	713.287963	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-H+Cl"	33.962126
"939769"	249.083363	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+Cl"	33.962126
"271762"	963.378602	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Cl"	34.969402
"668195"	1427.583202	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Cl"	34.969402
"1286069"	499.174002	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl"	34.969402
"29725"	965.357806	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+K"	36.948606
"470015"	1429.562406	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+K"	36.948606
"837248"	501.153206	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+K"	36.948606
"1564014"	501.153206	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K-2H"	36.948606
"947521"	509.202794	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+HCOOH"	44.998194
"364644"	973.407401	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+HCOOH-H"	44.998201
"346584"	987.423051	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Hac-H"	59.013851
"1494447"	523.218451	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Hac-H"	59.013851
"962720"	531.184751	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+NaCOOH"	66.980151
"114908"	499.174002	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Cl"	69.938804
"555561"	731.276302	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Cl"	69.938804
"1028736"	267.071702	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Cl"	69.938804
"1245399"	543.123485	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Br"	78.918885
"1315137"	545.179472	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+HCOOH"	80.974872
"1332633"	567.161429	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+NaCOOH"	102.956829
"924784"	577.190186	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+CF3COOH"	112.985586
"1298217"	613.166864	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+CF3COOH"	148.962264
"1376380"	429.191924	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H-2H2O"	-35.012676
"1390597"	447.2019	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H-H2O"	-17.0027
"294655"	929.416476	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H"	1.007276
"687077"	1393.621076	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H"	1.007276
"1360145"	465.211876	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H"	1.007276
"135220"	465.211876	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2H"	2.014552
"575875"	697.314176	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2H"	2.014552
"1047955"	233.109576	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2H"	2.014552
"214762"	310.477009333333	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+3H"	3.021828
"657606"	465.211876	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+3H"	3.021828
"1168442"	155.742142666667	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3H"	3.021828
"428435"	946.443023	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+NH4"	18.033823
"790521"	1410.647623	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+NH4"	18.033823
"1684666"	482.238423	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4"	18.033823
"335859"	473.7251495	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+NH4"	19.041099
"725729"	705.8274495	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+NH4"	19.041099
"1481007"	241.6228495	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+NH4"	19.041099
"395313"	951.398418	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Na"	22.989218
"756313"	1415.603018	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Na"	22.989218
"1607694"	487.193818	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na"	22.989218
"321007"	476.202847	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+Na"	23.996494
"714521"	708.305147	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+Na"	23.996494
"1465062"	244.100547	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+Na"	23.996494
"1058310"	163.069456666667	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2H+Na"	25.00377
"1267642"	497.238086	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+CH3OH+H"	33.033486
"379656"	967.372358	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+K"	38.963158
"745023"	1431.576958	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+K"	38.963158
"1540107"	503.167758	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K"	38.963158
"301705"	484.189817	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+K"	39.970434
"691731"	716.292117	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+K"	39.970434
"1446967"	252.087517	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+K"	39.970434
"236906"	970.443026	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+ACN+H"	42.033826
"1215092"	506.238426	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+H"	42.033826
"1198976"	253.622851	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+2H"	43.041102
"200232"	973.38036	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Na-H"	44.97116
"633595"	1437.58496	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Na-H"	44.97116
"1139288"	509.17576	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Na-H"	44.97116
"180392"	487.193818	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Na"	45.978436
"617766"	719.296118	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Na"	45.978436
"1119445"	255.091518	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Na"	45.978436
"1401514"	170.396770666667	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+2Na"	46.985712
"1434727"	511.217346	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+HCOOH"	47.012746
"230620"	492.22684	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+3H2O+2H"	56.04448
"1520503"	525.26939	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+IsoProp+H"	61.06479
"416543"	495.180788	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Na+K"	61.952376
"775351"	727.283088	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Na+K"	61.952376
"1666213"	263.078488	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+K"	61.952376
"256017"	992.424968	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+ACN+Na"	64.015768
"1227144"	528.220368	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+Na"	64.015768
"1713391"	528.243893	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4+HCOOH"	64.039293
"1183703"	177.724084666667	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3Na"	68.967654
"1655054"	533.199288	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+HCOOH"	68.994688
"159728"	1005.32824	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2K-H"	76.91904
"601112"	1469.53284	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2K-H"	76.91904
"1090365"	541.12364	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K-H"	76.91904
"147180"	503.167758	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2K"	77.926316
"586739"	735.270058	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2K"	77.926316
"1069303"	271.065458	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K"	77.926316
"1108840"	543.138192	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K+H"	78.933592
"1343037"	543.225807	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+DMSO+H"	79.021207
"1010474"	547.264976	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2ACN+H"	83.060376
"1531878"	548.258608	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+IsoProp+Na+H"	84.054008
"995051"	274.136126	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2ACN+2H"	84.067652
"1592834"	549.173228	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K+HCOOH"	84.968628
"1422866"	579.204738	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+CF3COOH"	115.000138
"1157529"	294.649401	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3ACN+2H"	125.094202
"1709270"	596.231285	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4+CF3COOH"	132.026685
"1640547"	601.18668	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+CF3COOH"	136.98208
"1572917"	617.16062	"C05504"	"16-Glucuronide-estriol;16alpha17beta-Estriol 16-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K+CF3COOH"	152.95602
"817041"	252.0859	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M"	0
"989842"	233.06751	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H2O-H"	-19.01839
"77821"	167.049990666667	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-3H"	-3.021828
"516654"	251.078624	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-3H"	-3.021828
"891176"	83.0213573333333	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-3H"	-3.021828
"15182"	251.078624	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H"	-2.014552
"454054"	377.121574	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H"	-2.014552
"831124"	125.035674	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H"	-2.014552
"87107"	503.164524	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-H"	-1.007276
"525575"	755.250424	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-H"	-1.007276
"904469"	251.078624	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H"	-1.007276
"56658"	520.191071	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H+NH4"	16.019271
"499499"	772.276971	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H+NH4"	16.019271
"867460"	268.105171	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H+NH4"	16.019271
"38642"	525.146466	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H+Na"	20.974666
"473826"	777.232366	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H+Na"	20.974666
"853817"	273.060566	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H+Na"	20.974666
"1624444"	273.060566	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na-2H"	20.974666
"103157"	269.066963	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-H+Cl"	33.962126
"543812"	395.109913	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-H+Cl"	33.962126
"939150"	143.024013	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+Cl"	33.962126
"271508"	539.141202	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Cl"	34.969402
"666118"	791.227102	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+Cl"	34.969402
"1286181"	287.055302	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl"	34.969402
"28742"	541.120406	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H+K"	36.948606
"470490"	793.206306	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H+K"	36.948606
"839545"	289.034506	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H+K"	36.948606
"1567405"	289.034506	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K-2H"	36.948606
"948724"	297.084094	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+HCOOH"	44.998194
"364391"	549.170001	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+HCOOH-H"	44.998201
"348638"	563.185651	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Hac-H"	59.013851
"1494678"	311.099751	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Hac-H"	59.013851
"963922"	319.066051	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+NaCOOH"	66.980151
"121578"	287.055302	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2Cl"	69.938804
"562233"	413.098252	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2Cl"	69.938804
"1034313"	161.012352	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2Cl"	69.938804
"1251706"	331.004785	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Br"	78.918885
"1319218"	333.060772	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl+HCOOH"	80.974872
"1334202"	355.042729	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl+NaCOOH"	102.956829
"921614"	365.071486	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+CF3COOH"	112.985586
"1302701"	401.048164	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl+CF3COOH"	148.962264
"1380500"	217.073224	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H-2H2O"	-35.012676
"1392893"	235.0832	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H-H2O"	-17.0027
"295858"	505.179076	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H"	1.007276
"688280"	757.264976	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H"	1.007276
"1360255"	253.093176	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H"	1.007276
"137517"	253.093176	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2H"	2.014552
"575985"	379.136126	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2H"	2.014552
"1045878"	127.050226	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2H"	2.014552
"214872"	169.064542666667	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+3H"	3.021828
"658809"	253.093176	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+3H"	3.021828
"1167823"	85.0359093333333	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+3H"	3.021828
"429273"	522.205623	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+NH4"	18.033823
"786622"	774.291523	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+NH4"	18.033823
"1683684"	270.119723	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+NH4"	18.033823
"334877"	261.6064495	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H+NH4"	19.041099
"724383"	387.6493995	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H+NH4"	19.041099
"1478927"	135.5634995	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+NH4"	19.041099
"395422"	527.161018	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Na"	22.989218
"756787"	779.246918	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+Na"	22.989218
"1604036"	275.075118	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na"	22.989218
"320024"	264.084147	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H+Na"	23.996494
"714630"	390.127097	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H+Na"	23.996494
"1468453"	138.041197	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+Na"	23.996494
"1056234"	92.3632233333333	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2H+Na"	25.00377
"1263379"	285.119386	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+CH3OH+H"	33.033486
"383046"	543.134958	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+K"	38.963158
"742947"	795.220858	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+K"	38.963158
"1546095"	291.049058	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K"	38.963158
"300721"	272.071117	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H+K"	39.970434
"692044"	398.114067	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H+K"	39.970434
"1446105"	146.028167	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+K"	39.970434
"236000"	546.205626	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+ACN+H"	42.033826
"1215202"	294.119726	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+ACN+H"	42.033826
"1201273"	147.563501	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+ACN+2H"	43.041102
"200341"	549.14296	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2Na-H"	44.97116
"633339"	801.22886	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2Na-H"	44.97116
"1135387"	297.05706	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2Na-H"	44.97116
"177584"	275.075118	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2Na"	45.978436
"615686"	401.118068	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2Na"	45.978436
"1119918"	149.032168	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2Na"	45.978436
"1403080"	99.6905373333333	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+2Na"	46.985712
"1438117"	299.098646	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+HCOOH"	47.012746
"232553"	280.10814	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+3H2O+2H"	56.04448
"1520979"	313.15069	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+IsoProp+H"	61.06479
"418840"	283.062088	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Na+K"	61.952376
"774368"	409.105038	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+Na+K"	61.952376
"1667782"	157.019138	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na+K"	61.952376
"256126"	568.187568	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+ACN+Na"	64.015768
"1231022"	316.101668	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+ACN+Na"	64.015768
"1713220"	316.125193	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+NH4+HCOOH"	64.039293
"1182720"	107.017851333333	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+3Na"	68.967654
"1657352"	321.080588	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na+HCOOH"	68.994688
"162754"	581.09084	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2K-H"	76.91904
"603774"	833.17674	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2K-H"	76.91904
"1090475"	329.00494	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2K-H"	76.91904
"147290"	291.049058	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2K"	77.926316
"586849"	417.092008	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2K"	77.926316
"1071361"	165.006108	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2K"	77.926316
"1108950"	331.019492	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2K+H"	78.933592
"1343147"	331.107107	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+DMSO+H"	79.021207
"1013864"	335.146276	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2ACN+H"	83.060376
"1533082"	336.139908	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+IsoProp+Na+H"	84.054008
"998441"	168.076776	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2ACN+2H"	84.067652
"1598411"	337.054528	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K+HCOOH"	84.968628
"1425163"	367.086038	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+CF3COOH"	115.000138
"1158733"	188.590051	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+3ACN+2H"	125.094202
"1710474"	384.112585	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+NH4+CF3COOH"	132.026685
"1640657"	389.06798	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na+CF3COOH"	136.98208
"1573391"	405.04192	"C05512"	"Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K+CF3COOH"	152.95602
"815914"	300.0706	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M"	0
"987505"	281.05221	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-H2O-H"	-19.01839
"76110"	199.039790666667	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M-3H"	-3.021828
"513484"	299.063324	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M-3H"	-3.021828
"889099"	99.0162573333333	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-3H"	-3.021828
"14848"	299.063324	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M-2H"	-2.014552
"455260"	449.098624	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M-2H"	-2.014552
"830506"	149.028024	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-2H"	-2.014552
"85030"	599.133924	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M-H"	-1.007276
"527872"	899.204524	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M-H"	-1.007276
"902392"	299.063324	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-H"	-1.007276
"56768"	616.160471	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M-2H+NH4"	16.019271
"496329"	916.231071	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M-2H+NH4"	16.019271
"866477"	316.089871	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-2H+NH4"	16.019271
"38752"	621.115866	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M-2H+Na"	20.974666
"472842"	921.186466	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M-2H+Na"	20.974666
"850647"	321.045266	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-2H+Na"	20.974666
"1624554"	321.045266	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Na-2H"	20.974666
"99989"	317.051663	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M-H+Cl"	33.962126
"543923"	467.086963	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M-H+Cl"	33.962126
"934156"	167.016363	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-H+Cl"	33.962126
"274900"	635.110602	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+Cl"	34.969402
"665861"	935.181202	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+Cl"	34.969402
"1286290"	335.040002	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Cl"	34.969402
"30680"	637.089806	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M-2H+K"	36.948606
"469871"	937.160406	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M-2H+K"	36.948606
"839655"	337.019206	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-2H+K"	36.948606
"1567515"	337.019206	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+K-2H"	36.948606
"952116"	345.068794	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-H+HCOOH"	44.998194
"365959"	645.139401	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+HCOOH-H"	44.998201
"346685"	659.155051	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+Hac-H"	59.013851
"1494304"	359.084451	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Hac-H"	59.013851
"965126"	367.050751	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-H+NaCOOH"	66.980151
"120595"	335.040002	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+2Cl"	69.938804
"562343"	485.075302	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+2Cl"	69.938804
"1033329"	185.004702	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2Cl"	69.938804
"1251816"	378.989485	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Br"	78.918885
"1316452"	381.045472	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Cl+HCOOH"	80.974872
"1334191"	403.027429	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Cl+NaCOOH"	102.956829
"921724"	413.056186	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M-H+CF3COOH"	112.985586
"1302447"	449.032864	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Cl+CF3COOH"	148.962264
"1373320"	265.057924	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H-2H2O"	-35.012676
"1389723"	283.0679	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H-H2O"	-17.0027
"294875"	601.148476	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+H"	1.007276
"686205"	901.219076	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+H"	1.007276
"1360366"	301.077876	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H"	1.007276
"137627"	301.077876	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+2H"	2.014552
"570628"	451.113176	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+2H"	2.014552
"1045988"	151.042576	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2H"	2.014552
"211702"	201.054342666667	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+3H"	3.021828
"655640"	301.077876	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+3H"	3.021828
"1164288"	101.030809333333	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+3H"	3.021828
"427925"	618.175023	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+NH4"	18.033823
"787827"	918.245623	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+NH4"	18.033823
"1682700"	318.104423	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+NH4"	18.033823
"330248"	309.5911495	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+H+NH4"	19.041099
"727406"	459.6264495	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+H+NH4"	19.041099
"1478312"	159.5558495	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H+NH4"	19.041099
"393023"	623.130418	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+Na"	22.989218
"755076"	923.201018	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+Na"	22.989218
"1606821"	323.059818	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Na"	22.989218
"315396"	312.068847	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+H+Na"	23.996494
"708545"	462.104147	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+H+Na"	23.996494
"1464918"	162.033547	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H+Na"	23.996494
"1057437"	108.358123333333	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2H+Na"	25.00377
"1262395"	333.104086	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+CH3OH+H"	33.033486
"386438"	639.104358	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+K"	38.963158
"746339"	939.174958	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+K"	38.963158
"1543289"	339.033758	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+K"	38.963158
"304474"	320.055817	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+H+K"	39.970434
"695076"	470.091117	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+H+K"	39.970434
"1445765"	170.020517	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H+K"	39.970434
"235770"	642.175026	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+ACN+H"	42.033826
"1215312"	342.104426	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+ACN+H"	42.033826
"1194822"	171.555851	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+ACN+2H"	43.041102
"196441"	645.11236	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+2Na-H"	44.97116
"631263"	945.18296	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+2Na-H"	44.97116
"1136228"	345.04176	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2Na-H"	44.97116
"182799"	323.059818	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+2Na"	45.978436
"615432"	473.095118	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+2Na"	45.978436
"1120030"	173.024518	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2Na"	45.978436
"1401734"	115.685437333333	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H+2Na"	46.985712
"1441507"	347.083346	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H+HCOOH"	47.012746
"231570"	328.09284	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+3H2O+2H"	56.04448
"1520360"	361.13539	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+IsoProp+H"	61.06479
"417857"	331.046788	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+Na+K"	61.952376
"774478"	481.082088	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+Na+K"	61.952376
"1668256"	181.011488	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Na+K"	61.952376
"255143"	664.156968	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+ACN+Na"	64.015768
"1230039"	364.086368	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+ACN+Na"	64.015768
"1714548"	364.109893	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+NH4+HCOOH"	64.039293
"1185382"	123.012751333333	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+3Na"	68.967654
"1660743"	369.065288	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Na+HCOOH"	68.994688
"161042"	677.06024	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+2K-H"	76.91904
"600605"	977.13084	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+2K-H"	76.91904
"1090585"	376.98964	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2K-H"	76.91904
"147400"	339.033758	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"2M+2K"	77.926316
"588052"	489.069058	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"3M+2K"	77.926316
"1074750"	188.998458	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2K"	77.926316
"1105778"	379.004192	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2K+H"	78.933592
"1344350"	379.091807	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+DMSO+H"	79.021207
"1015433"	383.130976	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2ACN+H"	83.060376
"1535744"	384.124608	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+IsoProp+Na+H"	84.054008
"1001831"	192.069126	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+2ACN+2H"	84.067652
"1598520"	385.039228	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+K+HCOOH"	84.968628
"1425273"	415.070738	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+H+CF3COOH"	115.000138
"1157750"	212.582401	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+3ACN+2H"	125.094202
"1710583"	432.097285	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+NH4+CF3COOH"	132.026685
"1646235"	437.05268	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+Na+CF3COOH"	136.98208
"1580792"	453.02662	"C05513"	"Urate-3-ribonucleoside;Uric acid ribonucleoside"	"C10H12N4O7"	"300.0706"	"M+K+CF3COOH"	152.95602
"816675"	170.044	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M"	0
"988825"	151.02561	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-H2O-H"	-19.01839
"77799"	112.355390666667	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M-3H"	-3.021828
"513594"	169.036724	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M-3H"	-3.021828
"889209"	55.6740573333333	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-3H"	-3.021828
"14596"	169.036724	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M-2H"	-2.014552
"454764"	254.058724	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M-2H"	-2.014552
"830616"	84.014724	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-2H"	-2.014552
"85140"	339.080724	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M-H"	-1.007276
"526889"	509.124724	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M-H"	-1.007276
"901408"	169.036724	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-H"	-1.007276
"57971"	356.107271	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M-2H+NH4"	16.019271
"496439"	526.151271	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M-2H+NH4"	16.019271
"869867"	186.063271	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-2H+NH4"	16.019271
"36675"	361.062666	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M-2H+Na"	20.974666
"477324"	531.106666	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M-2H+Na"	20.974666
"854036"	191.018666	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-2H+Na"	20.974666
"1627943"	191.018666	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Na-2H"	20.974666
"101191"	187.025063	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M-H+Cl"	33.962126
"544032"	272.047063	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M-H+Cl"	33.962126
"937180"	102.003063	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-H+Cl"	33.962126
"278289"	375.057402	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+Cl"	34.969402
"669615"	545.101402	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+Cl"	34.969402
"1285304"	205.013402	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Cl"	34.969402
"30785"	377.036606	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M-2H+K"	36.948606
"470953"	547.080606	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M-2H+K"	36.948606
"839765"	206.992606	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-2H+K"	36.948606
"1566531"	206.992606	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+K-2H"	36.948606
"952228"	215.042194	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-H+HCOOH"	44.998194
"364976"	385.086201	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+HCOOH-H"	44.998201
"354329"	399.101851	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+Hac-H"	59.013851
"1494413"	229.057851	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Hac-H"	59.013851
"964141"	237.024151	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-H+NaCOOH"	66.980151
"119611"	205.013402	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+2Cl"	69.938804
"561359"	290.035402	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+2Cl"	69.938804
"1034532"	119.991402	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2Cl"	69.938804
"1253020"	248.962885	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Br"	78.918885
"1317655"	251.018872	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Cl+HCOOH"	80.974872
"1332964"	273.000829	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Cl+NaCOOH"	102.956829
"921834"	283.029586	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M-H+CF3COOH"	112.985586
"1303166"	319.006264	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Cl+CF3COOH"	148.962264
"1374524"	135.031324	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H-2H2O"	-35.012676
"1392020"	153.0413	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H-H2O"	-17.0027
"293894"	341.095276	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+H"	1.007276
"686314"	511.139276	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+H"	1.007276
"1359383"	171.051276	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H"	1.007276
"133364"	171.051276	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+2H"	2.014552
"568915"	256.073276	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+2H"	2.014552
"1043911"	86.029276	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2H"	2.014552
"213998"	114.369942666667	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+3H"	3.021828
"653561"	171.051276	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+3H"	3.021828
"1165491"	57.6886093333333	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+3H"	3.021828
"425118"	358.121823	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+NH4"	18.033823
"790488"	528.165823	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+NH4"	18.033823
"1683903"	188.077823	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+NH4"	18.033823
"332910"	179.5645495	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+H+NH4"	19.041099
"727151"	264.5865495	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+H+NH4"	19.041099
"1479512"	94.5425495	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H+NH4"	19.041099
"396736"	363.077218	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+Na"	22.989218
"756643"	533.121218	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+Na"	22.989218
"1610210"	193.033218	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Na"	22.989218
"317328"	182.042247	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+H+Na"	23.996494
"709020"	267.064247	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+H+Na"	23.996494
"1465393"	97.020247	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H+Na"	23.996494
"1059732"	65.0159233333333	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2H+Na"	25.00377
"1264691"	203.077486	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+CH3OH+H"	33.033486
"384361"	379.051158	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+K"	38.963158
"745356"	549.095158	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+K"	38.963158
"1545223"	209.007158	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+K"	38.963158
"305677"	190.029217	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+H+K"	39.970434
"697372"	275.051217	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+H+K"	39.970434
"1447546"	105.007217	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H+K"	39.970434
"237969"	382.121826	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+ACN+H"	42.033826
"1210556"	212.077826	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+ACN+H"	42.033826
"1196023"	106.542551	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+ACN+2H"	43.041102
"196551"	385.05916	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+2Na-H"	44.97116
"634289"	555.10316	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+2Na-H"	44.97116
"1137431"	215.01516	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2Na-H"	44.97116
"179628"	193.033218	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+2Na"	45.978436
"620282"	278.055218	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+2Na"	45.978436
"1122694"	108.011218	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2Na"	45.978436
"1400751"	72.3432373333333	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H+2Na"	46.985712
"1438337"	217.056746	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H+HCOOH"	47.012746
"232406"	198.06624	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+3H2O+2H"	56.04448
"1522291"	231.10879	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+IsoProp+H"	61.06479
"419060"	201.020188	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+Na+K"	61.952376
"774588"	286.042188	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+Na+K"	61.952376
"1668000"	115.998188	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Na+K"	61.952376
"256346"	404.103768	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+ACN+Na"	64.015768
"1231242"	234.059768	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+ACN+Na"	64.015768
"1714294"	234.083293	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+NH4+HCOOH"	64.039293
"1182940"	79.6705513333333	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+3Na"	68.967654
"1654654"	239.038688	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Na+HCOOH"	68.994688
"158236"	417.00704	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+2K-H"	76.91904
"600348"	587.05104	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+2K-H"	76.91904
"1090693"	246.96304	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2K-H"	76.91904
"149698"	209.007158	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"2M+2K"	77.926316
"590715"	294.029158	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"3M+2K"	77.926316
"1077047"	123.985158	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2K"	77.926316
"1105887"	248.977592	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2K+H"	78.933592
"1344461"	249.065207	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+DMSO+H"	79.021207
"1015177"	253.104376	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2ACN+H"	83.060376
"1537312"	254.098008	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+IsoProp+Na+H"	84.054008
"1001577"	127.055826	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+2ACN+2H"	84.067652
"1598266"	255.012628	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+K+HCOOH"	84.968628
"1424289"	285.044138	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+H+CF3COOH"	115.000138
"1156766"	147.569101	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+3ACN+2H"	125.094202
"1707413"	302.070685	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+NH4+CF3COOH"	132.026685
"1648532"	307.02608	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+Na+CF3COOH"	136.98208
"1580902"	323.00002	"C05515"	"5-Ureido-4-imidazole carboxylate;4-Ureido-5-imidazolecarboxylic acid"	"C5H6N4O3"	"170.044"	"M+K+CF3COOH"	152.95602
"816375"	127.0382	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M"	0
"989177"	108.01981	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-H2O-H"	-19.01839
"77949"	83.6848573333333	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M-3H"	-3.021828
"512611"	126.030924	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M-3H"	-3.021828
"889319"	41.3387906666667	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-3H"	-3.021828
"14705"	126.030924	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M-2H"	-2.014552
"454508"	189.550024	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M-2H"	-2.014552
"830726"	62.511824	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-2H"	-2.014552
"88530"	253.069124	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M-H"	-1.007276
"528091"	380.107324	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M-H"	-1.007276
"903705"	126.030924	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-H"	-1.007276
"56988"	270.095671	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M-2H+NH4"	16.019271
"494361"	397.133871	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M-2H+NH4"	16.019271
"872164"	143.057471	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-2H+NH4"	16.019271
"41154"	275.051066	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M-2H+Na"	20.974666
"476341"	402.089266	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M-2H+Na"	20.974666
"854145"	148.012866	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-2H+Na"	20.974666
"1629146"	148.012866	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Na-2H"	20.974666
"102394"	144.019263	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M-H+Cl"	33.962126
"543048"	207.538363	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M-H+Cl"	33.962126
"936561"	80.500163	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-H+Cl"	33.962126
"278399"	289.045802	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+Cl"	34.969402
"668266"	416.084002	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+Cl"	34.969402
"1278854"	162.007602	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Cl"	34.969402
"24691"	291.025006	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M-2H+K"	36.948606
"464252"	418.063206	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M-2H+K"	36.948606
"837686"	163.986806	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-2H+K"	36.948606
"1563361"	163.986806	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+K-2H"	36.948606
"955618"	172.036394	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-H+HCOOH"	44.998194
"362534"	299.074601	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+HCOOH-H"	44.998201
"345808"	313.090251	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+Hac-H"	59.013851
"1497803"	186.052051	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Hac-H"	59.013851
"960971"	194.018351	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-H+NaCOOH"	66.980151
"116441"	162.007602	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+2Cl"	69.938804
"559284"	225.526702	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+2Cl"	69.938804
"1032455"	98.488502	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2Cl"	69.938804
"1252035"	205.957085	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Br"	78.918885
"1313391"	208.013072	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Cl+HCOOH"	80.974872
"1331981"	229.995029	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Cl+NaCOOH"	102.956829
"923766"	240.023786	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M-H+CF3COOH"	112.985586
"1300841"	276.000464	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Cl+CF3COOH"	148.962264
"1379734"	92.025524	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H-2H2O"	-35.012676
"1395410"	110.0355	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H-H2O"	-17.0027
"294004"	255.083676	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+H"	1.007276
"686424"	382.121876	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+H"	1.007276
"1362774"	128.045476	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H"	1.007276
"133475"	128.045476	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+2H"	2.014552
"574128"	191.564576	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+2H"	2.014552
"1044021"	64.526376	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2H"	2.014552
"213015"	85.6994093333333	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+3H"	3.021828
"654764"	128.045476	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+3H"	3.021828
"1163777"	43.3533426666667	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+3H"	3.021828
"425221"	272.110223	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+NH4"	18.033823
"788044"	399.148423	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+NH4"	18.033823
"1681942"	145.072023	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+NH4"	18.033823
"333745"	136.5587495	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+H+NH4"	19.041099
"725438"	200.0778495	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+H+NH4"	19.041099
"1479986"	73.0396495	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H+NH4"	19.041099
"395388"	277.065618	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+Na"	22.989218
"755659"	404.103818	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+Na"	22.989218
"1608132"	150.027418	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Na"	22.989218
"315612"	139.036447	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+H+Na"	23.996494
"708641"	202.555547	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+H+Na"	23.996494
"1465503"	75.517347	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H+Na"	23.996494
"1056562"	50.6806566666667	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2H+Na"	25.00377
"1261519"	160.071686	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+CH3OH+H"	33.033486
"385561"	293.039558	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+K"	38.963158
"742183"	420.077758	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+K"	38.963158
"1545331"	166.001358	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+K"	38.963158
"304694"	147.023417	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+H+K"	39.970434
"693838"	210.542517	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+H+K"	39.970434
"1447657"	83.504317	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H+K"	39.970434
"237352"	296.110226	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+ACN+H"	42.033826
"1211519"	169.072026	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+ACN+H"	42.033826
"1196495"	85.039651	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+ACN+2H"	43.041102
"191556"	299.04756	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+2Na-H"	44.97116
"634035"	426.08576	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+2Na-H"	44.97116
"1137541"	172.00936	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2Na-H"	44.97116
"179738"	150.027418	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+2Na"	45.978436
"622579"	213.546518	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+2Na"	45.978436
"1122804"	86.508318	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2Na"	45.978436
"1402317"	58.0079706666667	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H+2Na"	46.985712
"1440634"	174.050946	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H+HCOOH"	47.012746
"233246"	155.06044	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+3H2O+2H"	56.04448
"1523010"	188.10299	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+IsoProp+H"	61.06479
"419170"	158.014388	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+Na+K"	61.952376
"772875"	221.533488	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+Na+K"	61.952376
"1667746"	94.495288	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Na+K"	61.952376
"256456"	318.092168	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+ACN+Na"	64.015768
"1233539"	191.053968	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+ACN+Na"	64.015768
"1715131"	191.077493	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+NH4+HCOOH"	64.039293
"1183049"	65.3352846666667	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+3Na"	68.967654
"1655494"	196.032888	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Na+HCOOH"	68.994688
"162357"	330.99544	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+2K-H"	76.91904
"601917"	458.03364	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+2K-H"	76.91904
"1088616"	203.95724	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2K-H"	76.91904
"148713"	166.001358	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"2M+2K"	77.926316
"591553"	229.520458	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"3M+2K"	77.926316
"1077157"	102.482258	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2K"	77.926316
"1105998"	205.971792	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2K+H"	78.933592
"1345299"	206.059407	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+DMSO+H"	79.021207
"1017110"	210.098576	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2ACN+H"	83.060376
"1537423"	211.092208	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+IsoProp+Na+H"	84.054008
"1002051"	105.552926	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+2ACN+2H"	84.067652
"1600199"	212.006828	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+K+HCOOH"	84.968628
"1426952"	242.038338	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+H+CF3COOH"	115.000138
"1159063"	126.066201	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+3ACN+2H"	125.094202
"1708616"	259.064885	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+NH4+CF3COOH"	132.026685
"1645362"	264.02028	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+Na+CF3COOH"	136.98208
"1581012"	279.99422	"C05516"	"5-Amino-4-imidazole carboxylate;4-Amino-5-imidazolecarboxylic acid"	"C4H5N3O2"	"127.0382"	"M+K+CF3COOH"	152.95602
"817033"	119.0582	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M"	0
"989287"	100.03981	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"77532"	78.3648573333333	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"514907"	118.050924	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"889429"	38.6787906666667	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"15697"	118.050924	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"454128"	177.580024	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"827557"	58.521824	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"88640"	237.109124	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"528201"	356.167324	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"902722"	118.050924	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"58192"	254.135671	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"492285"	373.193871	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"871180"	135.077471	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"40172"	259.091066	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"478638"	378.149266	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"856442"	140.032866	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1624882"	140.032866	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"102505"	136.039263	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"542065"	195.568363	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"935579"	76.510163	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"276321"	273.085802	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"665461"	392.144002	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1280057"	154.027602	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"23707"	275.065006	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"463269"	394.123206	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"841078"	156.006806	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1559097"	156.006806	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"945889"	164.056394	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"362645"	283.114601	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"347259"	297.130251	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1494634"	178.072051	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"964362"	186.038351	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"113634"	154.027602	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"553925"	213.556702	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1026005"	94.498502	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1248867"	197.977085	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1312407"	200.033072	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1328810"	222.015029	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"922054"	232.043786	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1294393"	268.020464	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1378021"	84.045524	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1387866"	102.0555	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"291927"	239.123676	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"686535"	358.181876	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1356322"	120.065476	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"131762"	120.065476	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"574239"	179.594576	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1046319"	60.536376	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"213125"	80.3794093333333	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"653782"	120.065476	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1163276"	40.6933426666667	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"424966"	256.150223	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"786694"	375.208423	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1681929"	137.092023	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"331057"	128.5787495	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"723844"	188.1078495	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1478271"	69.0496495	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"394766"	261.105618	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"756490"	380.163818	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1606046"	142.047418	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"316088"	131.056447	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"708873"	190.585547	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1463058"	71.527347	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1054485"	48.0206566666667	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1258350"	152.091686	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"381298"	277.079558	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"742293"	396.137758	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1545442"	158.021358	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"304804"	139.043417	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"694312"	198.572517	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1448131"	79.514317	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"237462"	280.150226	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1213455"	161.092026	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1198433"	81.049651	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"196771"	283.08756	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"637427"	402.14576	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1144213"	164.02936	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"184223"	142.047418	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"621597"	201.576518	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1121091"	82.518318	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1401332"	55.3479706666667	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1438557"	166.070946	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"230440"	147.08044	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1522515"	180.12299	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"417094"	150.034388	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"776997"	209.563488	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1668588"	90.505288	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"255472"	302.132168	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1227449"	183.073968	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1714027"	183.097493	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1181333"	62.6752846666667	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1653415"	188.052888	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"162467"	315.03544	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"599840"	434.09364	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1093101"	195.97724	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"146635"	158.021358	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"586195"	217.550458	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1073987"	98.492258	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1102821"	197.991792	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1338115"	198.079407	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1008102"	202.118576	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1538260"	203.112208	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"998881"	101.562926	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1598851"	204.026828	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1418317"	234.058338	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1154800"	122.076201	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1709820"	251.084885	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1645472"	256.04028	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1572374"	272.01422	"C05519"	"L-Allothreonine;L-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"815502"	175.0481	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M"	0
"988304"	156.02971	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-H2O-H"	-19.01839
"77278"	115.691457333333	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M-3H"	-3.021828
"517894"	174.040824	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M-3H"	-3.021828
"889542"	57.3420906666667	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-3H"	-3.021828
"11400"	174.040824	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M-2H"	-2.014552
"449866"	261.564874	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M-2H"	-2.014552
"824388"	86.516774	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-2H"	-2.014552
"90939"	349.088924	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M-H"	-1.007276
"523939"	524.137024	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M-H"	-1.007276
"899553"	174.040824	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-H"	-1.007276
"52835"	366.115471	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M-2H+NH4"	16.019271
"495676"	541.163571	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M-2H+NH4"	16.019271
"872384"	191.067371	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-2H+NH4"	16.019271
"41378"	371.070866	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M-2H+Na"	20.974666
"477657"	546.118966	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M-2H+Na"	20.974666
"862022"	196.022766	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-2H+Na"	20.974666
"1629368"	196.022766	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Na-2H"	20.974666
"105900"	192.029163	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M-H+Cl"	33.962126
"548009"	279.553213	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M-H+Cl"	33.962126
"940430"	104.505113	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-H+Cl"	33.962126
"278257"	385.065602	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+Cl"	34.969402
"668854"	560.113702	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+Cl"	34.969402
"1279073"	210.017502	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Cl"	34.969402
"22724"	387.044806	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M-2H+K"	36.948606
"464473"	562.092906	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M-2H+K"	36.948606
"841189"	211.996706	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-2H+K"	36.948606
"1563582"	211.996706	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+K-2H"	36.948606
"949278"	220.046294	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-H+HCOOH"	44.998194
"367495"	395.094401	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+HCOOH-H"	44.998201
"354658"	409.110051	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+Hac-H"	59.013851
"1498024"	234.061951	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Hac-H"	59.013851
"964471"	242.028251	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-H+NaCOOH"	66.980151
"116661"	210.017502	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+2Cl"	69.938804
"562783"	297.541552	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+2Cl"	69.938804
"1029395"	122.493452	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2Cl"	69.938804
"1250071"	253.966985	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Br"	78.918885
"1312517"	256.022972	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Cl+HCOOH"	80.974872
"1328920"	278.004929	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Cl+NaCOOH"	102.956829
"922164"	288.033686	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M-H+CF3COOH"	112.985586
"1294504"	324.010364	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Cl+CF3COOH"	148.962264
"1377039"	140.035424	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H-2H2O"	-35.012676
"1393443"	158.0454	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H-H2O"	-17.0027
"290943"	351.103476	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+H"	1.007276
"685551"	526.151576	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+H"	1.007276
"1357527"	176.055376	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H"	1.007276
"127133"	176.055376	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+2H"	2.014552
"567423"	263.579426	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+2H"	2.014552
"1041691"	88.531326	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2H"	2.014552
"214329"	117.706009333333	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+3H"	3.021828
"652798"	176.055376	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+3H"	3.021828
"1164726"	59.3566426666667	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+3H"	3.021828
"425805"	368.130023	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+NH4"	18.033823
"787168"	543.178123	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+NH4"	18.033823
"1686056"	193.081923	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+NH4"	18.033823
"331168"	184.5686495	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+H+NH4"	19.041099
"724930"	272.0926995	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+H+NH4"	19.041099
"1481664"	97.0445995	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H+NH4"	19.041099
"398161"	373.085418	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+Na"	22.989218
"755510"	548.133518	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+Na"	22.989218
"1605069"	198.037318	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Na"	22.989218
"315102"	187.046347	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+H+Na"	23.996494
"708739"	274.570397	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+H+Na"	23.996494
"1461713"	99.522297	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H+Na"	23.996494
"1053744"	66.6839566666667	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2H+Na"	25.00377
"1258582"	208.081586	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+CH3OH+H"	33.033486
"381410"	389.059358	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+K"	38.963158
"742404"	564.107458	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+K"	38.963158
"1541176"	214.011258	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+K"	38.963158
"304914"	195.033317	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+H+K"	39.970434
"697342"	282.557367	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+H+K"	39.970434
"1447152"	107.509267	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H+K"	39.970434
"244137"	392.130026	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+ACN+H"	42.033826
"1213566"	217.081926	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+ACN+H"	42.033826
"1204010"	109.044601	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+ACN+2H"	43.041102
"199069"	395.06736	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+2Na-H"	44.97116
"638629"	570.11546	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+2Na-H"	44.97116
"1146797"	220.01926	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2Na-H"	44.97116
"187901"	198.037318	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+2Na"	45.978436
"624988"	285.561368	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+2Na"	45.978436
"1130437"	110.513268	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2Na"	45.978436
"1405454"	74.0112706666667	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H+2Na"	46.985712
"1440854"	222.060846	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H+HCOOH"	47.012746
"231644"	203.07034	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+3H2O+2H"	56.04448
"1522624"	236.11289	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+IsoProp+H"	61.06479
"417204"	206.024288	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+Na+K"	61.952376
"777471"	293.548338	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+Na+K"	61.952376
"1667604"	118.500238	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Na+K"	61.952376
"252302"	414.111968	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+ACN+Na"	64.015768
"1227561"	239.063868	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+ACN+Na"	64.015768
"1714259"	239.087393	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+NH4+HCOOH"	64.039293
"1182542"	81.3385846666667	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+3Na"	68.967654
"1651705"	244.042788	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Na+HCOOH"	68.994688
"165858"	427.01524	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+2K-H"	76.91904
"599220"	602.06334	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+2K-H"	76.91904
"1086650"	251.96714	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2K-H"	76.91904
"143217"	214.011258	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"2M+2K"	77.926316
"582537"	301.535308	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"3M+2K"	77.926316
"1070817"	126.487208	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2K"	77.926316
"1101108"	253.981692	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2K+H"	78.933592
"1339318"	254.069307	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+DMSO+H"	79.021207
"1007849"	258.108476	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2ACN+H"	83.060376
"1525120"	259.102108	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+IsoProp+Na+H"	84.054008
"995705"	129.557876	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+2ACN+2H"	84.067652
"1600052"	260.016728	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+K+HCOOH"	84.968628
"1426805"	290.048238	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+H+CF3COOH"	115.000138
"1158189"	150.071151	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+3ACN+2H"	125.094202
"1711021"	307.074785	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+NH4+CF3COOH"	132.026685
"1645582"	312.03018	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+Na+CF3COOH"	136.98208
"1572484"	328.00412	"C05520"	"2-Amino-3-oxoadipate;2-Amino-3-oxohexanedioic acid"	"C6H9NO5"	"175.0481"	"M+K+CF3COOH"	152.95602
"815976"	426.0879	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M"	0
"989023"	407.06951	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-H2O-H"	-19.01839
"76662"	283.051324	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M-3H"	-3.021828
"516223"	425.080624	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M-3H"	-3.021828
"891837"	141.022024	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-3H"	-3.021828
"14668"	425.080624	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M-2H"	-2.014552
"451070"	638.124574	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M-2H"	-2.014552
"824498"	212.036674	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-2H"	-2.014552
"83396"	851.168524	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M-H"	-1.007276
"527331"	1277.256424	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M-H"	-1.007276
"904038"	425.080624	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-H"	-1.007276
"52946"	868.195071	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M-2H+NH4"	16.019271
"496879"	1294.282971	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M-2H+NH4"	16.019271
"873587"	442.107171	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-2H+NH4"	16.019271
"40392"	873.150466	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M-2H+Na"	20.974666
"478859"	1299.238366	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M-2H+Na"	20.974666
"856663"	447.062566	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-2H+Na"	20.974666
"1626195"	447.062566	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Na-2H"	20.974666
"103819"	443.068963	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M-H+Cl"	33.962126
"540100"	656.112913	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M-H+Cl"	33.962126
"934704"	230.025013	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-H+Cl"	33.962126
"272170"	887.145202	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+Cl"	34.969402
"668970"	1313.233102	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+Cl"	34.969402
"1279187"	461.057302	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Cl"	34.969402
"29398"	889.124406	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M-2H+K"	36.948606
"461310"	1315.212306	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M-2H+K"	36.948606
"838018"	463.036506	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-2H+K"	36.948606
"1565881"	463.036506	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+K-2H"	36.948606
"946108"	471.086094	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-H+HCOOH"	44.998194
"364323"	897.174001	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+HCOOH-H"	44.998201
"350395"	911.189651	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+Hac-H"	59.013851
"1499227"	485.101751	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Hac-H"	59.013851
"965675"	493.068051	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-H+NaCOOH"	66.980151
"115676"	461.057302	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+2Cl"	69.938804
"561799"	674.101252	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+2Cl"	69.938804
"1022214"	248.013352	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2Cl"	69.938804
"1241834"	505.006785	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Br"	78.918885
"1310441"	507.062772	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Cl+HCOOH"	80.974872
"1327936"	529.044729	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Cl+NaCOOH"	102.956829
"915719"	539.073486	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M-H+CF3COOH"	112.985586
"1291699"	575.050164	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Cl+CF3COOH"	148.962264
"1371682"	391.075224	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H-2H2O"	-35.012676
"1391367"	409.0852	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H-H2O"	-17.0027
"289961"	853.183076	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+H"	1.007276
"679100"	1279.270976	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+H"	1.007276
"1356541"	427.095176	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H"	1.007276
"127241"	427.095176	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+2H"	2.014552
"567530"	640.139126	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+2H"	2.014552
"1038514"	214.051226	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2H"	2.014552
"207510"	285.065876	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+3H"	3.021828
"645615"	427.095176	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+3H"	3.021828
"1165929"	143.036576	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+3H"	3.021828
"425429"	870.209623	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+NH4"	18.033823
"787644"	1296.297523	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+NH4"	18.033823
"1682151"	444.121723	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+NH4"	18.033823
"331158"	435.6084495	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+H+NH4"	19.041099
"726497"	648.6523995	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+H+NH4"	19.041099
"1480317"	222.5644995	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H+NH4"	19.041099
"395717"	875.165018	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+Na"	22.989218
"757080"	1301.252918	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+Na"	22.989218
"1603959"	449.077118	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Na"	22.989218
"314608"	438.086147	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+H+Na"	23.996494
"707638"	651.130097	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+H+Na"	23.996494
"1462675"	225.042197	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H+Na"	23.996494
"1052916"	150.36389	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2H+Na"	25.00377
"1259665"	459.121386	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+CH3OH+H"	33.033486
"379334"	891.138958	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+K"	38.963158
"740331"	1317.226858	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+K"	38.963158
"1546756"	465.051058	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+K"	38.963158
"301746"	446.073117	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+H+K"	39.970434
"695266"	659.117067	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+H+K"	39.970434
"1452365"	233.029167	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H+K"	39.970434
"242061"	894.209626	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+ACN+H"	42.033826
"1213675"	468.121726	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+ACN+H"	42.033826
"1207889"	234.564501	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+ACN+2H"	43.041102
"194804"	897.14696	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+2Na-H"	44.97116
"638739"	1323.23486	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+2Na-H"	44.97116
"1144068"	471.05906	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2Na-H"	44.97116
"187117"	449.077118	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+2Na"	45.978436
"626676"	662.121068	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+2Na"	45.978436
"1128237"	236.033168	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2Na"	45.978436
"1403378"	157.691204	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H+2Na"	46.985712
"1438776"	473.100646	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H+HCOOH"	47.012746
"231754"	454.11014	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+3H2O+2H"	56.04448
"1517628"	487.15269	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+IsoProp+H"	61.06479
"414399"	457.064088	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+Na+K"	61.952376
"772842"	670.108038	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+Na+K"	61.952376
"1668442"	244.020138	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Na+K"	61.952376
"252411"	916.191568	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+ACN+Na"	64.015768
"1226578"	490.103668	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+ACN+Na"	64.015768
"1714741"	490.127193	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+NH4+HCOOH"	64.039293
"1183011"	165.018518	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+3Na"	68.967654
"1653639"	495.082588	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Na+HCOOH"	68.994688
"160498"	929.09484	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+2K-H"	76.91904
"599330"	1355.18274	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+2K-H"	76.91904
"1086026"	503.00694	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2K-H"	76.91904
"141988"	465.051058	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"2M+2K"	77.926316
"583495"	678.095008	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"3M+2K"	77.926316
"1070925"	252.007108	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2K"	77.926316
"1100490"	505.021492	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2K+H"	78.933592
"1335857"	505.109107	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+DMSO+H"	79.021207
"1005845"	509.148276	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2ACN+H"	83.060376
"1532647"	510.141908	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+IsoProp+Na+H"	84.054008
"999100"	255.077776	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+2ACN+2H"	84.067652
"1600162"	511.056528	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+K+HCOOH"	84.968628
"1419264"	541.088038	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+H+CF3COOH"	115.000138
"1156111"	275.591051	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+3ACN+2H"	125.094202
"1700201"	558.114585	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+NH4+CF3COOH"	132.026685
"1643505"	563.06998	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+Na+CF3COOH"	136.98208
"1581344"	579.04392	"C05526"	"S-Glutathionyl-L-cysteine"	"C13H22N4O8S2"	"426.0879"	"M+K+CF3COOH"	152.95602
"816086"	151.9779	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M"	0
"989623"	132.95951	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-H2O-H"	-19.01839
"73494"	100.311324	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M-3H"	-3.021828
"514148"	150.970624	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M-3H"	-3.021828
"893043"	49.652024	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-3H"	-3.021828
"9432"	150.970624	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M-2H"	-2.014552
"447900"	226.959574	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M-2H"	-2.014552
"825704"	74.981674	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-2H"	-2.014552
"88970"	302.948524	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M-H"	-1.007276
"526345"	454.926424	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M-H"	-1.007276
"901960"	150.970624	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-H"	-1.007276
"59616"	319.975071	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M-2H+NH4"	16.019271
"496988"	471.952971	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M-2H+NH4"	16.019271
"873697"	167.997171	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-2H+NH4"	16.019271
"43423"	324.930466	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M-2H+Na"	20.974666
"484074"	476.908366	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M-2H+Na"	20.974666
"858959"	172.952566	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-2H+Na"	20.974666
"1630319"	172.952566	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Na-2H"	20.974666
"107214"	168.958963	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M-H+Cl"	33.962126
"545678"	244.947913	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M-H+Cl"	33.962126
"932632"	92.970013	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-H+Cl"	33.962126
"271917"	338.925202	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+Cl"	34.969402
"671271"	490.903102	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+Cl"	34.969402
"1285860"	186.947302	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Cl"	34.969402
"26228"	340.904406	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M-2H+K"	36.948606
"458140"	492.882306	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M-2H+K"	36.948606
"840317"	188.926506	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-2H+K"	36.948606
"1561617"	188.926506	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+K-2H"	36.948606
"948407"	196.976094	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-H+HCOOH"	44.998194
"367717"	348.954001	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+HCOOH-H"	44.998201
"350506"	362.969651	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+Hac-H"	59.013851
"1502617"	210.991751	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Hac-H"	59.013851
"966878"	218.958051	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-H+NaCOOH"	66.980151
"117976"	186.947302	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+2Cl"	69.938804
"553163"	262.936252	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+2Cl"	69.938804
"1025242"	110.958352	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2Cl"	69.938804
"1242752"	230.896785	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Br"	78.918885
"1314926"	232.952772	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Cl+HCOOH"	80.974872
"1329144"	254.934729	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Cl+NaCOOH"	102.956829
"914735"	264.963486	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M-H+CF3COOH"	112.985586
"1294725"	300.940164	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Cl+CF3COOH"	148.962264
"1373978"	116.965224	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H-2H2O"	-35.012676
"1390381"	134.9752	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H-H2O"	-17.0027
"290070"	304.963076	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+H"	1.007276
"677748"	456.940976	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+H"	1.007276
"1358841"	152.985176	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H"	1.007276
"127354"	152.985176	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+2H"	2.014552
"568009"	228.974126	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+2H"	2.014552
"1044465"	76.996226	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2H"	2.014552
"213459"	102.325876	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+3H"	3.021828
"646455"	152.985176	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+3H"	3.021828
"1170055"	51.666576	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+3H"	3.021828
"426758"	321.989623	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+NH4"	18.033823
"790309"	473.967523	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+NH4"	18.033823
"1685544"	170.011723	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+NH4"	18.033823
"334187"	161.4984495	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+H+NH4"	19.041099
"725879"	237.4873995	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+H+NH4"	19.041099
"1480064"	85.5094995	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H+NH4"	19.041099
"398382"	326.945018	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+Na"	22.989218
"759379"	478.922918	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+Na"	22.989218
"1603225"	174.967118	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Na"	22.989218
"315688"	163.976147	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+H+Na"	23.996494
"708843"	239.965097	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+H+Na"	23.996494
"1464853"	87.987197	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H+Na"	23.996494
"1054818"	58.99389	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2H+Na"	25.00377
"1258683"	185.011386	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+CH3OH+H"	33.033486
"383822"	342.918958	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+K"	38.963158
"745910"	494.896858	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+K"	38.963158
"1552703"	190.941058	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+K"	38.963158
"308422"	171.963117	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+H+K"	39.970434
"695374"	247.952067	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+H+K"	39.970434
"1454664"	95.974167	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H+K"	39.970434
"247275"	345.989626	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+ACN+H"	42.033826
"1223627"	194.011726	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+ACN+H"	42.033826
"1208493"	97.509501	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+ACN+2H"	43.041102
"199289"	348.92696	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+2Na-H"	44.97116
"639943"	500.90486	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+2Na-H"	44.97116
"1145276"	196.94906	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2Na-H"	44.97116
"183462"	174.967118	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+2Na"	45.978436
"625207"	250.956068	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+2Na"	45.978436
"1129933"	98.978168	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2Na"	45.978436
"1404582"	66.321204	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H+2Na"	46.985712
"1441805"	198.990646	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H+HCOOH"	47.012746
"234299"	180.00014	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+3H2O+2H"	56.04448
"1519927"	213.04269	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+IsoProp+H"	61.06479
"417426"	182.954088	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+Na+K"	61.952376
"778421"	258.943038	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+Na+K"	61.952376
"1673659"	106.965138	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Na+K"	61.952376
"255438"	367.971568	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+ACN+Na"	64.015768
"1228513"	215.993668	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+ACN+Na"	64.015768
"1718501"	216.017193	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+NH4+HCOOH"	64.039293
"1182762"	73.648518	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+3Na"	68.967654
"1653019"	220.972588	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Na+HCOOH"	68.994688
"158174"	380.87484	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+2K-H"	76.91904
"598348"	532.85274	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+2K-H"	76.91904
"1086871"	228.89694	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2K-H"	76.91904
"146967"	190.941058	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"2M+2K"	77.926316
"585431"	266.930008	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"3M+2K"	77.926316
"1070308"	114.952108	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2K"	77.926316
"1103154"	230.911492	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2K+H"	78.933592
"1339539"	230.999107	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+DMSO+H"	79.021207
"1013537"	235.038276	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2ACN+H"	83.060376
"1533854"	236.031908	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+IsoProp+Na+H"	84.054008
"992646"	118.022776	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+2ACN+2H"	84.067652
"1592617"	236.946528	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+K+HCOOH"	84.968628
"1417186"	266.978038	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+H+CF3COOH"	115.000138
"1152940"	138.536051	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+3ACN+2H"	125.094202
"1699212"	284.004585	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+NH4+CF3COOH"	132.026685
"1640334"	288.95998	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+Na+CF3COOH"	136.98208
"1571608"	304.93392	"C05527"	"3-Sulfinylpyruvate;3-Sulfinopyruvate"	"C3H4O5S"	"151.9779"	"M+K+CF3COOH"	152.95602
"815103"	167.9729	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M"	0
"987912"	148.95451	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-H2O-H"	-19.01839
"74694"	110.974657333333	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M-3H"	-3.021828
"517174"	166.965624	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M-3H"	-3.021828
"895219"	54.9836906666667	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-3H"	-3.021828
"6264"	166.965624	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M-2H"	-2.014552
"448010"	250.952074	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M-2H"	-2.014552
"821440"	82.979174	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-2H"	-2.014552
"87987"	334.938524	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M-H"	-1.007276
"531922"	502.911424	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M-H"	-1.007276
"902070"	166.965624	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-H"	-1.007276
"59726"	351.965071	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M-2H+NH4"	16.019271
"498192"	519.937971	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M-2H+NH4"	16.019271
"872715"	183.992171	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-2H+NH4"	16.019271
"41710"	356.920466	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M-2H+Na"	20.974666
"484549"	524.893366	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M-2H+Na"	20.974666
"856882"	188.947566	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-2H+Na"	20.974666
"1629701"	188.947566	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Na-2H"	20.974666
"107324"	184.953963	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M-H+Cl"	33.962126
"548708"	268.940413	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M-H+Cl"	33.962126
"934930"	100.967513	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-H+Cl"	33.962126
"276767"	370.915202	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+Cl"	34.969402
"668101"	538.888102	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+Cl"	34.969402
"1282689"	202.942302	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Cl"	34.969402
"26338"	372.894406	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M-2H+K"	36.948606
"461531"	540.867306	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M-2H+K"	36.948606
"838240"	204.921506	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-2H+K"	36.948606
"1558447"	204.921506	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+K-2H"	36.948606
"947424"	212.971094	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-H+HCOOH"	44.998194
"368920"	380.944001	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+HCOOH-H"	44.998201
"350615"	394.959651	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+Hac-H"	59.013851
"1500541"	226.986751	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Hac-H"	59.013851
"969176"	234.953051	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-H+NaCOOH"	66.980151
"115900"	202.942302	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+2Cl"	69.938804
"554367"	286.928752	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+2Cl"	69.938804
"1026445"	118.955852	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2Cl"	69.938804
"1243107"	246.891785	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Br"	78.918885
"1315037"	248.947772	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Cl+HCOOH"	80.974872
"1329254"	270.929729	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Cl+NaCOOH"	102.956829
"915938"	280.958486	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M-H+CF3COOH"	112.985586
"1290461"	316.935164	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Cl+CF3COOH"	148.962264
"1374090"	132.960224	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H-2H2O"	-35.012676
"1392678"	150.9702	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H-H2O"	-17.0027
"289088"	336.953076	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+H"	1.007276
"677132"	504.925976	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+H"	1.007276
"1355671"	168.980176	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H"	1.007276
"128560"	168.980176	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+2H"	2.014552
"570307"	252.966626	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+2H"	2.014552
"1042388"	84.993726	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2H"	2.014552
"210289"	112.989209333333	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+3H"	3.021828
"648387"	168.980176	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+3H"	3.021828
"1171258"	56.9982426666667	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+3H"	3.021828
"426503"	353.979623	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+NH4"	18.033823
"788595"	521.952523	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+NH4"	18.033823
"1682737"	186.006723	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+NH4"	18.033823
"334661"	177.4934495	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+H+NH4"	19.041099
"725990"	261.4798995	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+H+NH4"	19.041099
"1479445"	93.5069995	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H+NH4"	19.041099
"394483"	358.935018	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+Na"	22.989218
"754747"	526.907918	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+Na"	22.989218
"1604058"	190.962118	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Na"	22.989218
"315798"	179.971147	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+H+Na"	23.996494
"708826"	263.957597	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+H+Na"	23.996494
"1464962"	95.984697	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H+Na"	23.996494
"1054927"	64.3255566666667	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2H+Na"	25.00377
"1260979"	201.006386	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+CH3OH+H"	33.033486
"381743"	374.908958	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+K"	38.963158
"746020"	542.881858	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+K"	38.963158
"1551354"	206.936058	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+K"	38.963158
"303061"	187.958117	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+H+K"	39.970434
"696579"	271.944567	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+H+K"	39.970434
"1452586"	103.971667	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H+K"	39.970434
"249209"	377.979626	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+ACN+H"	42.033826
"1219366"	210.006726	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+ACN+H"	42.033826
"1206529"	105.507001	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+ACN+2H"	43.041102
"198308"	380.91696	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+2Na-H"	44.97116
"640053"	548.88986	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+2Na-H"	44.97116
"1145146"	212.94406	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2Na-H"	44.97116
"185396"	190.962118	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+2Na"	45.978436
"628000"	274.948568	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+2Na"	45.978436
"1129922"	106.975668	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2Na"	45.978436
"1409066"	71.6528706666667	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H+2Na"	46.985712
"1440822"	214.985646	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H+HCOOH"	47.012746
"234042"	195.99514	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+3H2O+2H"	56.04448
"1520037"	229.03769	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+IsoProp+H"	61.06479
"416443"	198.949088	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+Na+K"	61.952376
"779625"	282.935538	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+Na+K"	61.952376
"1672674"	114.962638	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Na+K"	61.952376
"255914"	399.961568	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+ACN+Na"	64.015768
"1231176"	231.988668	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+ACN+Na"	64.015768
"1717151"	232.012193	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+NH4+HCOOH"	64.039293
"1186152"	78.9801846666667	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+3Na"	68.967654
"1652764"	236.967588	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Na+HCOOH"	68.994688
"158528"	412.86484	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+2K-H"	76.91904
"597278"	580.83774	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+2K-H"	76.91904
"1085883"	244.89194	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2K-H"	76.91904
"142335"	206.936058	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"2M+2K"	77.926316
"582015"	290.922508	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"3M+2K"	77.926316
"1072243"	122.949608	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2K"	77.926316
"1106546"	246.906492	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2K+H"	78.933592
"1342930"	246.994107	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+DMSO+H"	79.021207
"1015470"	251.033276	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2ACN+H"	83.060376
"1528494"	252.026908	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+IsoProp+Na+H"	84.054008
"992026"	126.020276	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+2ACN+2H"	84.067652
"1591634"	252.941528	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+K+HCOOH"	84.968628
"1417296"	282.973038	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+H+CF3COOH"	115.000138
"1157423"	146.533551	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+3ACN+2H"	125.094202
"1700417"	299.999585	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+NH4+CF3COOH"	132.026685
"1640444"	304.95498	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+Na+CF3COOH"	136.98208
"1571432"	320.92892	"C05528"	"3-Sulfopyruvate;3-Sulfopyruvic acid"	"C3H4O6S"	"167.9729"	"M+K+CF3COOH"	152.95602
"816783"	113.9445	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M"	0
"989445"	94.92611	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-H2O-H"	-19.01839
"76994"	74.955724	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M-3H"	-3.021828
"512182"	112.937224	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M-3H"	-3.021828
"894357"	36.974224	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-3H"	-3.021828
"6374"	112.937224	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M-2H"	-2.014552
"450307"	169.909474	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M-2H"	-2.014552
"825924"	55.964974	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-2H"	-2.014552
"84818"	226.881724	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M-H"	-1.007276
"523286"	340.826224	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M-H"	-1.007276
"901086"	112.937224	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-H"	-1.007276
"53276"	243.908271	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M-2H+NH4"	16.019271
"496117"	357.852771	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M-2H+NH4"	16.019271
"878295"	129.963771	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-2H+NH4"	16.019271
"44009"	248.863666	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M-2H+Na"	20.974666
"485391"	362.808166	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M-2H+Na"	20.974666
"859183"	134.919166	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-2H+Na"	20.974666
"1632974"	134.919166	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Na-2H"	20.974666
"108893"	130.925563	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M-H+Cl"	33.962126
"548816"	187.897813	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M-H+Cl"	33.962126
"936133"	73.953313	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-H+Cl"	33.962126
"276877"	262.858402	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+Cl"	34.969402
"669304"	376.802902	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+Cl"	34.969402
"1283893"	148.913902	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Cl"	34.969402
"26448"	264.837606	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M-2H+K"	36.948606
"462736"	378.782106	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M-2H+K"	36.948606
"834705"	150.893106	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-2H+K"	36.948606
"1558558"	150.893106	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+K-2H"	36.948606
"946441"	158.942694	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-H+HCOOH"	44.998194
"370124"	272.887201	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+HCOOH-H"	44.998201
"354006"	286.902851	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+Hac-H"	59.013851
"1506847"	172.958351	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Hac-H"	59.013851
"969286"	180.924651	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-H+NaCOOH"	66.980151
"119289"	148.913902	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+2Cl"	69.938804
"556662"	205.886152	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+2Cl"	69.938804
"1028742"	91.941652	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2Cl"	69.938804
"1243217"	192.863385	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Br"	78.918885
"1311864"	194.919372	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Cl+HCOOH"	80.974872
"1329364"	216.901329	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Cl+NaCOOH"	102.956829
"915685"	226.930086	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M-H+CF3COOH"	112.985586
"1293852"	262.906764	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Cl+CF3COOH"	148.962264
"1374200"	78.931824	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H-2H2O"	-35.012676
"1392789"	96.9418	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H-H2O"	-17.0027
"289197"	228.896276	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+H"	1.007276
"679064"	342.840776	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+H"	1.007276
"1356874"	114.951776	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H"	1.007276
"129763"	114.951776	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+2H"	2.014552
"568231"	171.924026	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+2H"	2.014552
"1040311"	57.979526	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2H"	2.014552
"212586"	76.970276	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+3H"	3.021828
"649961"	114.951776	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+3H"	3.021828
"1170275"	38.988776	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+3H"	3.021828
"428802"	245.922823	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+NH4"	18.033823
"787973"	359.867323	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+NH4"	18.033823
"1682847"	131.978323	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+NH4"	18.033823
"330518"	123.4650495	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+H+NH4"	19.041099
"723912"	180.4372995	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+H+NH4"	19.041099
"1478829"	66.4927995	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H+NH4"	19.041099
"398603"	250.878218	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+Na"	22.989218
"754733"	364.822718	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+Na"	22.989218
"1603311"	136.933718	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Na"	22.989218
"314271"	125.942747	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+H+Na"	23.996494
"707595"	182.914997	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+H+Na"	23.996494
"1468353"	68.970497	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H+Na"	23.996494
"1057224"	46.31609	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2H+Na"	25.00377
"1263277"	146.977986	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+CH3OH+H"	33.033486
"386227"	266.852158	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+K"	38.963158
"749046"	380.796658	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+K"	38.963158
"1553652"	152.907658	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+K"	38.963158
"307548"	133.929717	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+H+K"	39.970434
"696689"	190.901967	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+H+K"	39.970434
"1457070"	76.957467	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H+K"	39.970434
"248956"	269.922826	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+ACN+H"	42.033826
"1224704"	155.978326	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+ACN+H"	42.033826
"1209076"	78.492801	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+ACN+2H"	43.041102
"200607"	272.86016	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+2Na-H"	44.97116
"642352"	386.80466	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+2Na-H"	44.97116
"1140393"	158.91566	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2Na-H"	44.97116
"187694"	136.933718	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+2Na"	45.978436
"627862"	193.905968	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+2Na"	45.978436
"1131087"	79.961468	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2Na"	45.978436
"1412456"	53.643404	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H+2Na"	46.985712
"1442387"	160.957246	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H+HCOOH"	47.012746
"232084"	141.96674	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+3H2O+2H"	56.04448
"1523307"	175.00929	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+IsoProp+H"	61.06479
"419833"	144.920688	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+Na+K"	61.952376
"779736"	201.892938	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+Na+K"	61.952376
"1669506"	87.948438	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Na+K"	61.952376
"256024"	291.904768	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+ACN+Na"	64.015768
"1230922"	177.960268	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+ACN+Na"	64.015768
"1716532"	177.983793	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+NH4+HCOOH"	64.039293
"1185170"	60.970718	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+3Na"	68.967654
"1651049"	182.939188	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Na+HCOOH"	68.994688
"159004"	304.80804	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+2K-H"	76.91904
"598319"	418.75254	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+2K-H"	76.91904
"1085262"	190.86354	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2K-H"	76.91904
"142320"	152.907658	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"2M+2K"	77.926316
"582495"	209.879908	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"3M+2K"	77.926316
"1073446"	95.935408	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2K"	77.926316
"1100456"	192.878092	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2K+H"	78.933592
"1336476"	192.965707	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+DMSO+H"	79.021207
"1014852"	197.004876	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2ACN+H"	83.060376
"1525201"	197.998508	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+IsoProp+Na+H"	84.054008
"995054"	99.006076	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+2ACN+2H"	84.067652
"1591744"	198.913128	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+K+HCOOH"	84.968628
"1417406"	228.944638	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+H+CF3COOH"	115.000138
"1150974"	119.519351	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+3ACN+2H"	125.094202
"1702718"	245.971185	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+NH4+CF3COOH"	132.026685
"1640555"	250.92658	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+Na+CF3COOH"	136.98208
"1571305"	266.90052	"C05529"	"Thiosulfuric acid"	"H2S2O3"	"113.9445"	"M+K+CF3COOH"	152.95602
"816661"	204.027	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M"	0
"989099"	185.00861	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-H2O-H"	-19.01839
"78324"	135.010724	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M-3H"	-3.021828
"513388"	203.019724	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M-3H"	-3.021828
"895279"	67.001724	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-3H"	-3.021828
"8671"	203.019724	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M-2H"	-2.014552
"449324"	305.033224	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M-2H"	-2.014552
"822754"	101.006224	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-2H"	-2.014552
"84928"	407.046724	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M-H"	-1.007276
"527770"	611.073724	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M-H"	-1.007276
"901197"	203.019724	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-H"	-1.007276
"55574"	424.073271	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M-2H+NH4"	16.019271
"496228"	628.100271	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M-2H+NH4"	16.019271
"875123"	220.046271	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-2H+NH4"	16.019271
"45940"	429.028666	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M-2H+Na"	20.974666
"484770"	633.055666	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M-2H+Na"	20.974666
"859292"	225.001666	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-2H+Na"	20.974666
"1632109"	225.001666	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Na-2H"	20.974666
"109985"	221.008063	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M-H+Cl"	33.962126
"547832"	323.021563	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M-H+Cl"	33.962126
"936243"	118.994563	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-H+Cl"	33.962126
"274800"	443.023402	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+Cl"	34.969402
"669414"	647.050402	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+Cl"	34.969402
"1285096"	238.996402	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Cl"	34.969402
"26558"	445.002606	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M-2H+K"	36.948606
"457012"	649.029606	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M-2H+K"	36.948606
"837003"	240.975606	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-2H+K"	36.948606
"1560855"	240.975606	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+K-2H"	36.948606
"948372"	249.025194	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-H+HCOOH"	44.998194
"372420"	453.052201	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+HCOOH-H"	44.998201
"351929"	467.067851	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+Hac-H"	59.013851
"1504040"	263.040851	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Hac-H"	59.013851
"967209"	271.007151	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-H+NaCOOH"	66.980151
"120492"	238.996402	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+2Cl"	69.938804
"555680"	341.009902	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+2Cl"	69.938804
"1029947"	136.982902	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2Cl"	69.938804
"1247340"	282.945885	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Br"	78.918885
"1313067"	285.001872	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Cl+HCOOH"	80.974872
"1330564"	306.983829	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Cl+NaCOOH"	102.956829
"918710"	317.012586	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M-H+CF3COOH"	112.985586
"1297242"	352.989264	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Cl+CF3COOH"	148.962264
"1372487"	169.014324	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H-2H2O"	-35.012676
"1395086"	187.0243	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H-H2O"	-17.0027
"288215"	409.061276	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+H"	1.007276
"676987"	613.088276	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+H"	1.007276
"1355162"	205.034276	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H"	1.007276
"127687"	205.034276	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+2H"	2.014552
"569434"	307.047776	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+2H"	2.014552
"1039692"	103.020776	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2H"	2.014552
"213789"	137.025276	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+3H"	3.021828
"648248"	205.034276	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+3H"	3.021828
"1163816"	69.016276	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+3H"	3.021828
"428548"	426.087823	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+NH4"	18.033823
"789546"	630.114823	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+NH4"	18.033823
"1684051"	222.060823	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+NH4"	18.033823
"330223"	213.5475495	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+H+NH4"	19.041099
"723658"	315.5610495	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+H+NH4"	19.041099
"1480032"	111.5340495	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H+NH4"	19.041099
"396526"	431.043218	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+Na"	22.989218
"756428"	635.070218	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+Na"	22.989218
"1604527"	227.016218	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Na"	22.989218
"314803"	216.025247	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+H+Na"	23.996494
"707590"	318.038747	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+H+Na"	23.996494
"1462265"	114.011747	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H+Na"	23.996494
"1059521"	76.34359	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2H+Na"	25.00377
"1265573"	237.060486	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+CH3OH+H"	33.033486
"387796"	447.017158	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+K"	38.963158
"744051"	651.044158	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+K"	38.963158
"1548291"	242.990158	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+K"	38.963158
"307659"	224.012217	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+H+K"	39.970434
"697894"	326.025717	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+H+K"	39.970434
"1457181"	121.998717	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H+K"	39.970434
"248334"	450.087826	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+ACN+H"	42.033826
"1221772"	246.060826	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+ACN+H"	42.033826
"1208574"	123.534051	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+ACN+2H"	43.041102
"200717"	453.02516	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+2Na-H"	44.97116
"643773"	657.05216	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+2Na-H"	44.97116
"1146578"	248.99816	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2Na-H"	44.97116
"188450"	227.016218	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+2Na"	45.978436
"628480"	329.029718	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+2Na"	45.978436
"1131207"	125.002718	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2Na"	45.978436
"1409286"	83.670904	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H+2Na"	46.985712
"1442499"	251.039746	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H+HCOOH"	47.012746
"232194"	232.04924	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+3H2O+2H"	56.04448
"1521351"	265.09179	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+IsoProp+H"	61.06479
"418850"	235.003188	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+Na+K"	61.952376
"779845"	337.016688	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+Na+K"	61.952376
"1673259"	132.989688	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Na+K"	61.952376
"257227"	472.069768	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+ACN+Na"	64.015768
"1233220"	268.042768	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+ACN+Na"	64.015768
"1718831"	268.066293	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+NH4+HCOOH"	64.039293
"1185281"	90.998218	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+3Na"	68.967654
"1656267"	273.021688	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Na+HCOOH"	68.994688
"159478"	484.97304	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+2K-H"	76.91904
"601592"	689.00004	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+2K-H"	76.91904
"1086104"	280.94604	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2K-H"	76.91904
"144014"	242.990158	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"2M+2K"	77.926316
"587951"	345.003658	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"3M+2K"	77.926316
"1068809"	140.976658	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2K"	77.926316
"1102393"	282.960592	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2K+H"	78.933592
"1338778"	283.048207	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+DMSO+H"	79.021207
"1009496"	287.087376	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2ACN+H"	83.060376
"1531996"	288.081008	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+IsoProp+Na+H"	84.054008
"992978"	144.047326	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+2ACN+2H"	84.067652
"1595134"	288.995628	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+K+HCOOH"	84.968628
"1418609"	319.027138	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+H+CF3COOH"	115.000138
"1151083"	164.560601	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+3ACN+2H"	125.094202
"1706108"	336.053685	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+NH4+CF3COOH"	132.026685
"1640665"	341.00908	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+Na+CF3COOH"	136.98208
"1571935"	356.98302	"C05533"	"Oxaloglutarate"	"C7H8O7"	"204.027"	"M+K+CF3COOH"	152.95602
"811059"	289.0798	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M"	0
"988243"	270.06141	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-H2O-H"	-19.01839
"77945"	191.712590666667	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M-3H"	-3.021828
"516411"	288.072524	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M-3H"	-3.021828
"891300"	95.3526573333333	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-3H"	-3.021828
"6594"	288.072524	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M-2H"	-2.014552
"448339"	432.612424	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M-2H"	-2.014552
"822860"	143.532624	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-2H"	-2.014552
"85038"	577.152324	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M-H"	-1.007276
"524600"	866.232124	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M-H"	-1.007276
"899121"	288.072524	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-H"	-1.007276
"53495"	594.178871	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M-2H+NH4"	16.019271
"497429"	883.258671	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M-2H+NH4"	16.019271
"874139"	305.099071	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-2H+NH4"	16.019271
"39853"	599.134266	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M-2H+Na"	20.974666
"478317"	888.214066	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M-2H+Na"	20.974666
"856122"	310.054466	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-2H+Na"	20.974666
"1628937"	310.054466	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Na-2H"	20.974666
"103280"	306.060863	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M-H+Cl"	33.962126
"546121"	450.600763	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M-H+Cl"	33.962126
"939636"	161.520963	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-H+Cl"	33.962126
"279291"	613.129002	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+Cl"	34.969402
"670618"	902.208802	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+Cl"	34.969402
"1285208"	324.049202	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Cl"	34.969402
"21209"	615.108206	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M-2H+K"	36.948606
"460403"	904.188006	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M-2H+K"	36.948606
"836747"	326.028406	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-2H+K"	36.948606
"1558412"	326.028406	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+K-2H"	36.948606
"943378"	334.077994	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-H+HCOOH"	44.998194
"365966"	623.157801	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+HCOOH-H"	44.998201
"349486"	637.173451	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+Hac-H"	59.013851
"1500872"	348.093651	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Hac-H"	59.013851
"964404"	356.059951	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-H+NaCOOH"	66.980151
"118417"	324.049202	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+2Cl"	69.938804
"555791"	468.589102	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+2Cl"	69.938804
"1024591"	179.509302	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2Cl"	69.938804
"1243438"	367.998685	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Br"	78.918885
"1314272"	370.054672	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Cl+HCOOH"	80.974872
"1325210"	392.036629	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Cl+NaCOOH"	102.956829
"917362"	402.065386	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M-H+CF3COOH"	112.985586
"1297354"	438.042064	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Cl+CF3COOH"	148.962264
"1374421"	254.067124	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H-2H2O"	-35.012676
"1391919"	272.0771	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H-H2O"	-17.0027
"285038"	579.166876	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+H"	1.007276
"680742"	868.246676	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+H"	1.007276
"1354177"	290.087076	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H"	1.007276
"128523"	290.087076	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+2H"	2.014552
"567478"	434.626976	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+2H"	2.014552
"1040531"	145.547176	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2H"	2.014552
"210619"	193.727142666667	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+3H"	3.021828
"647629"	290.087076	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+3H"	3.021828
"1171588"	97.3672093333333	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+3H"	3.021828
"425741"	596.193423	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+NH4"	18.033823
"790749"	885.273223	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+NH4"	18.033823
"1682340"	307.113623	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+NH4"	18.033823
"330374"	298.6003495	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+H+NH4"	19.041099
"724134"	443.1402495	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+H+NH4"	19.041099
"1479048"	154.0604495	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H+NH4"	19.041099
"394690"	601.148818	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+Na"	22.989218
"759818"	890.228618	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+Na"	22.989218
"1604878"	312.069018	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Na"	22.989218
"314544"	301.078047	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+H+Na"	23.996494
"709283"	445.617947	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+H+Na"	23.996494
"1463346"	156.538147	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H+Na"	23.996494
"1058538"	104.694523333333	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2H+Na"	25.00377
"1264591"	322.113286	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+CH3OH+H"	33.033486
"382074"	617.122758	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+K"	38.963158
"746349"	906.202558	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+K"	38.963158
"1547312"	328.042958	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+K"	38.963158
"305581"	309.065017	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+H+K"	39.970434
"698003"	453.604917	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+H+K"	39.970434
"1454010"	164.525117	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H+K"	39.970434
"246988"	620.193426	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+ACN+H"	42.033826
"1224925"	331.113626	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+ACN+H"	42.033826
"1209379"	166.060451	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+ACN+2H"	43.041102
"204146"	623.13076	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+2Na-H"	44.97116
"644100"	912.21056	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+2Na-H"	44.97116
"1146490"	334.05096	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2Na-H"	44.97116
"187916"	312.069018	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+2Na"	45.978436
"628080"	456.608918	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+2Na"	45.978436
"1131183"	167.529118	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2Na"	45.978436
"1409396"	112.021837333333	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H+2Na"	46.985712
"1439329"	336.092546	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H+HCOOH"	47.012746
"227929"	317.10204	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+3H2O+2H"	56.04448
"1515994"	350.14459	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+IsoProp+H"	61.06479
"415680"	320.055988	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+Na+K"	61.952376
"776674"	464.595888	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+Na+K"	61.952376
"1669360"	175.516088	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Na+K"	61.952376
"258436"	642.175368	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+ACN+Na"	64.015768
"1228231"	353.095568	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+ACN+Na"	64.015768
"1716756"	353.119093	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+NH4+HCOOH"	64.039293
"1184298"	119.349151333333	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+3Na"	68.967654
"1652002"	358.074488	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Na+HCOOH"	68.994688
"158495"	655.07864	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+2K-H"	76.91904
"599027"	944.15844	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+2K-H"	76.91904
"1088402"	365.99884	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2K-H"	76.91904
"144125"	328.042958	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"2M+2K"	77.926316
"585869"	472.582858	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"3M+2K"	77.926316
"1072573"	183.503058	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2K"	77.926316
"1103597"	368.013392	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2K+H"	78.933592
"1339981"	368.101007	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+DMSO+H"	79.021207
"1008148"	372.140176	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2ACN+H"	83.060376
"1527733"	373.133808	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+IsoProp+Na+H"	84.054008
"991993"	186.573726	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+2ACN+2H"	84.067652
"1593061"	374.048428	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+K+HCOOH"	84.968628
"1419814"	404.079938	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+H+CF3COOH"	115.000138
"1150102"	207.087001	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+3ACN+2H"	125.094202
"1700747"	421.106485	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+NH4+CF3COOH"	132.026685
"1640774"	426.06188	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+Na+CF3COOH"	136.98208
"1575332"	442.03582	"C05537"	"N-Succinyl-2-amino-6-oxopimelate"	"C11H15NO8"	"289.0798"	"M+K+CF3COOH"	152.95602
"814449"	231.0743	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M"	0
"987260"	212.05591	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-H2O-H"	-19.01839
"74048"	153.042257333333	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M-3H"	-3.021828
"514700"	230.067024	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M-3H"	-3.021828
"891408"	76.0174906666667	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-3H"	-3.021828
"6704"	230.067024	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M-2H"	-2.014552
"446262"	345.604174	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M-2H"	-2.014552
"822970"	114.529874	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-2H"	-2.014552
"85148"	461.141324	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M-H"	-1.007276
"523616"	692.215624	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M-H"	-1.007276
"901418"	230.067024	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-H"	-1.007276
"54698"	478.167871	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M-2H+NH4"	16.019271
"493165"	709.242171	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M-2H+NH4"	16.019271
"870969"	247.093571	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-2H+NH4"	16.019271
"38870"	483.123266	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M-2H+Na"	20.974666
"477334"	714.197566	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M-2H+Na"	20.974666
"855139"	252.048966	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-2H+Na"	20.974666
"1626861"	252.048966	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Na-2H"	20.974666
"103390"	248.055363	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M-H+Cl"	33.962126
"547324"	363.592513	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M-H+Cl"	33.962126
"940839"	132.518213	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-H+Cl"	33.962126
"272840"	497.118002	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+Cl"	34.969402
"672551"	728.192302	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+Cl"	34.969402
"1285318"	266.043702	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Cl"	34.969402
"20226"	499.097206	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M-2H+K"	36.948606
"458691"	730.171506	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M-2H+K"	36.948606
"835764"	268.022906	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-2H+K"	36.948606
"1558888"	268.022906	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+K-2H"	36.948606
"944218"	276.072494	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-H+HCOOH"	44.998194
"364254"	507.146801	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+HCOOH-H"	44.998201
"348867"	521.162451	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+Hac-H"	59.013851
"1499889"	290.088151	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Hac-H"	59.013851
"963057"	298.054451	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-H+NaCOOH"	66.980151
"118527"	266.043702	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+2Cl"	69.938804
"559181"	381.580852	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+2Cl"	69.938804
"1023972"	150.506552	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2Cl"	69.938804
"1242456"	309.993185	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Br"	78.918885
"1317662"	312.049172	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Cl+HCOOH"	80.974872
"1328600"	334.031129	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Cl+NaCOOH"	102.956829
"918567"	344.059886	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M-H+CF3COOH"	112.985586
"1293454"	380.036564	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Cl+CF3COOH"	148.962264
"1371251"	196.061624	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H-2H2O"	-35.012676
"1389843"	214.0716	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H-H2O"	-17.0027
"285513"	463.155876	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+H"	1.007276
"680852"	694.230176	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+H"	1.007276
"1356110"	232.081576	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H"	1.007276
"127906"	232.081576	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+2H"	2.014552
"566739"	347.618726	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+2H"	2.014552
"1038454"	116.544426	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2H"	2.014552
"210729"	155.056809333333	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+3H"	3.021828
"646645"	232.081576	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+3H"	3.021828
"1168416"	78.0320426666667	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+3H"	3.021828
"425487"	480.182423	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+NH4"	18.033823
"791589"	711.256723	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+NH4"	18.033823
"1683545"	249.108123	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+NH4"	18.033823
"334011"	240.5948495	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+H+NH4"	19.041099
"725338"	356.1319995	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+H+NH4"	19.041099
"1484627"	125.0576995	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H+NH4"	19.041099
"400026"	485.137818	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+Na"	22.989218
"758833"	716.212118	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+Na"	22.989218
"1608027"	254.063518	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Na"	22.989218
"314781"	243.072547	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+H+Na"	23.996494
"710486"	358.609697	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+H+Na"	23.996494
"1462483"	127.535397	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H+Na"	23.996494
"1055367"	85.3593566666667	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2H+Na"	25.00377
"1263606"	264.107786	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+CH3OH+H"	33.033486
"382183"	501.111758	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+K"	38.963158
"749376"	732.186058	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+K"	38.963158
"1548516"	270.037458	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+K"	38.963158
"303505"	251.059517	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+H+K"	39.970434
"698113"	366.596667	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+H+K"	39.970434
"1454120"	135.522367	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H+K"	39.970434
"250991"	504.182426	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+ACN+H"	42.033826
"1225600"	273.108126	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+ACN+H"	42.033826
"1209650"	137.057701	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+ACN+2H"	43.041102
"204122"	507.11976	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+2Na-H"	44.97116
"643742"	738.19406	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+2Na-H"	44.97116
"1144738"	276.04546	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2Na-H"	44.97116
"186202"	254.063518	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+2Na"	45.978436
"627464"	369.600668	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+2Na"	45.978436
"1128904"	138.526368	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2Na"	45.978436
"1409506"	92.6866706666667	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H+2Na"	46.985712
"1438345"	278.087046	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H+HCOOH"	47.012746
"229132"	259.09654	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+3H2O+2H"	56.04448
"1512822"	292.13909	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+IsoProp+H"	61.06479
"412143"	262.050488	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+Na+K"	61.952376
"773138"	377.587638	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+Na+K"	61.952376
"1669106"	146.513338	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Na+K"	61.952376
"260368"	526.164368	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+ACN+Na"	64.015768
"1229070"	295.090068	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+ACN+Na"	64.015768
"1716865"	295.113593	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+NH4+HCOOH"	64.039293
"1187688"	100.013984666667	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+3Na"	68.967654
"1653204"	300.068988	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Na+HCOOH"	68.994688
"158362"	539.06764	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+2K-H"	76.91904
"601810"	770.14194	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+2K-H"	76.91904
"1088511"	307.99334	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2K-H"	76.91904
"147514"	270.037458	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"2M+2K"	77.926316
"584888"	385.574608	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"3M+2K"	77.926316
"1069764"	154.500308	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2K"	77.926316
"1102614"	310.007892	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2K+H"	78.933592
"1338998"	310.095507	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+DMSO+H"	79.021207
"1006432"	314.134676	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2ACN+H"	83.060376
"1525896"	315.128308	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+IsoProp+Na+H"	84.054008
"992101"	157.570976	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+2ACN+2H"	84.067652
"1589886"	316.042928	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+K+HCOOH"	84.968628
"1414449"	346.074438	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+H+CF3COOH"	115.000138
"1149118"	178.084251	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+3ACN+2H"	125.094202
"1697940"	363.100985	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+NH4+CF3COOH"	132.026685
"1640884"	368.05638	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+Na+CF3COOH"	136.98208
"1575442"	384.03032	"C05539"	"N-Acetyl-L-2-amino-6-oxopimelate;L-2-Acetamido-6-oxoheptanedioate;L-2-Acetamido-6-oxopimelate"	"C9H13NO6"	"231.0743"	"M+K+CF3COOH"	152.95602
"813471"	187.0845	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M"	0
"986640"	168.06611	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-H2O-H"	-19.01839
"77437"	123.715724	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M-3H"	-3.021828
"516631"	186.077224	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M-3H"	-3.021828
"894434"	61.354224	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-3H"	-3.021828
"12644"	186.077224	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M-2H"	-2.014552
"449654"	279.619474	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M-2H"	-2.014552
"830736"	92.534974	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-2H"	-2.014552
"87445"	373.161724	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M-H"	-1.007276
"525913"	560.246224	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M-H"	-1.007276
"903715"	186.077224	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-H"	-1.007276
"54809"	390.188271	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M-2H+NH4"	16.019271
"497649"	577.272771	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M-2H+NH4"	16.019271
"873264"	203.103771	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-2H+NH4"	16.019271
"42262"	395.143666	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M-2H+Na"	20.974666
"480727"	582.228166	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M-2H+Na"	20.974666
"859260"	208.059166	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-2H+Na"	20.974666
"1628794"	208.059166	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Na-2H"	20.974666
"107878"	204.065563	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M-H+Cl"	33.962126
"547316"	297.607813	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M-H+Cl"	33.962126
"939860"	110.523313	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-H+Cl"	33.962126
"272946"	409.138402	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+Cl"	34.969402
"666462"	596.222902	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+Cl"	34.969402
"1282147"	222.053902	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Cl"	34.969402
"23610"	411.117606	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M-2H+K"	36.948606
"460983"	598.202106	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M-2H+K"	36.948606
"842065"	224.033106	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-2H+K"	36.948606
"1562274"	224.033106	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+K-2H"	36.948606
"945784"	232.082694	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-H+HCOOH"	44.998194
"372751"	419.167201	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+HCOOH-H"	44.998201
"354448"	433.182851	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+Hac-H"	59.013851
"1504372"	246.098351	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Hac-H"	59.013851
"961339"	254.064651	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-H+NaCOOH"	66.980151
"117540"	222.053902	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+2Cl"	69.938804
"565451"	315.596152	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+2Cl"	69.938804
"1033556"	128.511652	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2Cl"	69.938804
"1247669"	266.003385	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Br"	78.918885
"1309024"	268.059372	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Cl+HCOOH"	80.974872
"1325429"	290.041329	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Cl+NaCOOH"	102.956829
"921593"	300.070086	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M-H+CF3COOH"	112.985586
"1291011"	336.046764	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Cl+CF3COOH"	148.962264
"1374642"	152.071824	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H-2H2O"	-35.012676
"1386671"	170.0818	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H-H2O"	-17.0027
"284533"	375.176276	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+H"	1.007276
"677682"	562.260776	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+H"	1.007276
"1359503"	188.091776	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H"	1.007276
"130201"	188.091776	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+2H"	2.014552
"566604"	281.634026	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+2H"	2.014552
"1038562"	94.549526	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2H"	2.014552
"213028"	125.730276	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+3H"	3.021828
"652587"	188.091776	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+3H"	3.021828
"1171808"	63.368776	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+3H"	3.021828
"433988"	392.202823	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+NH4"	18.033823
"790609"	579.287323	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+NH4"	18.033823
"1685849"	205.118323	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+NH4"	18.033823
"336311"	196.6050495	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+H+NH4"	19.041099
"733106"	290.1472995	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+H+NH4"	19.041099
"1484739"	103.0627995	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H+NH4"	19.041099
"396859"	397.158218	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+Na"	22.989218
"756760"	584.242718	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+Na"	22.989218
"1607044"	210.073718	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Na"	22.989218
"315989"	199.082747	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+H+Na"	23.996494
"710597"	292.624997	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+H+Na"	23.996494
"1466606"	105.540497	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H+Na"	23.996494
"1062039"	70.69609	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2H+Na"	25.00377
"1265903"	220.117986	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+CH3OH+H"	33.033486
"383386"	413.132158	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+K"	38.963158
"746571"	600.216658	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+K"	38.963158
"1550445"	226.047658	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+K"	38.963158
"310176"	207.069717	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+H+K"	39.970434
"702596"	300.611967	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+H+K"	39.970434
"1456054"	113.527467	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H+K"	39.970434
"251104"	416.202826	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+ACN+H"	42.033826
"1224662"	229.118326	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+ACN+H"	42.033826
"1209640"	115.062801	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+ACN+2H"	43.041102
"203491"	419.14016	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+2Na-H"	44.97116
"643533"	606.22466	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+2Na-H"	44.97116
"1146306"	232.05566	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2Na-H"	44.97116
"187898"	210.073718	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+2Na"	45.978436
"625140"	303.615968	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+2Na"	45.978436
"1126825"	116.531468	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2Na"	45.978436
"1408894"	78.023404	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H+2Na"	46.985712
"1438455"	234.097246	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H+HCOOH"	47.012746
"229242"	215.10674	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+3H2O+2H"	56.04448
"1517305"	248.14929	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+IsoProp+H"	61.06479
"415905"	218.060688	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+Na+K"	61.952376
"773614"	311.602938	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+Na+K"	61.952376
"1668856"	124.518438	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Na+K"	61.952376
"257565"	438.184768	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+ACN+Na"	64.015768
"1233555"	251.100268	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+ACN+Na"	64.015768
"1716974"	251.123793	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+NH4+HCOOH"	64.039293
"1188890"	85.350718	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+3Na"	68.967654
"1658419"	256.079188	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Na+HCOOH"	68.994688
"168197"	451.08804	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+2K-H"	76.91904
"604840"	638.17254	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+2K-H"	76.91904
"1093728"	264.00354	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2K-H"	76.91904
"151272"	226.047658	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"2M+2K"	77.926316
"583905"	319.589908	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"3M+2K"	77.926316
"1070607"	132.505408	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2K"	77.926316
"1103817"	266.018092	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2K+H"	78.933592
"1338378"	266.105707	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+DMSO+H"	79.021207
"1007639"	270.144876	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2ACN+H"	83.060376
"1526859"	271.138508	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+IsoProp+Na+H"	84.054008
"990223"	135.576076	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+2ACN+2H"	84.067652
"1588903"	272.053128	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+K+HCOOH"	84.968628
"1414356"	302.084638	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+H+CF3COOH"	115.000138
"1147770"	156.089351	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+3ACN+2H"	125.094202
"1706441"	319.111185	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+NH4+CF3COOH"	132.026685
"1640999"	324.06658	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+Na+CF3COOH"	136.98208
"1578838"	340.04052	"C05548"	"6-Acetamido-2-oxohexanoate;2-Oxo-6-acetamidocaproate"	"C8H13NO4"	"187.0845"	"M+K+CF3COOH"	152.95602
"803738"	334.0987	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M"	0
"977269"	315.08031	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-H2O-H"	-19.01839
"73168"	221.725190666667	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M-3H"	-3.021828
"515649"	333.091424	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M-3H"	-3.021828
"888347"	110.358957333333	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-3H"	-3.021828
"3640"	333.091424	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M-2H"	-2.014552
"446481"	500.140774	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M-2H"	-2.014552
"825377"	166.042074	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-2H"	-2.014552
"84274"	667.190124	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M-H"	-1.007276
"524926"	1001.288824	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M-H"	-1.007276
"907101"	333.091424	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-H"	-1.007276
"61355"	684.216671	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M-2H+NH4"	16.019271
"494839"	1018.315371	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M-2H+NH4"	16.019271
"875558"	350.117971	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-2H+NH4"	16.019271
"40180"	689.172066	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M-2H+Na"	20.974666
"480835"	1023.270766	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M-2H+Na"	20.974666
"858640"	355.073366	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-2H+Na"	20.974666
"1627080"	355.073366	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Na-2H"	20.974666
"103612"	351.079763	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M-H+Cl"	33.962126
"545358"	518.129113	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M-H+Cl"	33.962126
"934501"	184.030413	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-H+Cl"	33.962126
"269776"	703.166802	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+Cl"	34.969402
"666573"	1037.265502	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+Cl"	34.969402
"1280070"	369.068102	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Cl"	34.969402
"27000"	705.146006	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M-2H+K"	36.948606
"467654"	1039.244706	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M-2H+K"	36.948606
"845459"	371.047306	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-2H+K"	36.948606
"1562384"	371.047306	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+K-2H"	36.948606
"950267"	379.096894	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-H+HCOOH"	44.998194
"373952"	713.195601	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+HCOOH-H"	44.998201
"355646"	727.211251	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+Hac-H"	59.013851
"1501201"	393.112551	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Hac-H"	59.013851
"967647"	401.078851	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-H+NaCOOH"	66.980151
"123117"	369.068102	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+2Cl"	69.938804
"564870"	536.117452	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+2Cl"	69.938804
"1033301"	202.018752	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2Cl"	69.938804
"1253245"	413.017585	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Br"	78.918885
"1313505"	415.073572	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Cl+HCOOH"	80.974872
"1321162"	437.055529	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Cl+NaCOOH"	102.956829
"918784"	447.084286	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M-H+CF3COOH"	112.985586
"1291851"	483.060964	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Cl+CF3COOH"	148.962264
"1369769"	299.086024	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H-2H2O"	-35.012676
"1384350"	317.096	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H-H2O"	-17.0027
"286466"	669.204676	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+H"	1.007276
"677790"	1003.303376	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+H"	1.007276
"1354142"	335.105976	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H"	1.007276
"128125"	335.105976	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+2H"	2.014552
"568050"	502.155326	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+2H"	2.014552
"1044145"	168.056626	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2H"	2.014552
"205482"	223.739742666667	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+3H"	3.021828
"646864"	335.105976	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+3H"	3.021828
"1167542"	112.373509333333	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+3H"	3.021828
"435190"	686.231223	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+NH4"	18.033823
"793999"	1020.329923	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+NH4"	18.033823
"1687051"	352.132523	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+NH4"	18.033823
"337514"	343.6192495	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+H+NH4"	19.041099
"736134"	510.6685995	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+H+NH4"	19.041099
"1488131"	176.5698995	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H+NH4"	19.041099
"400252"	691.186618	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+Na"	22.989218
"761245"	1025.285318	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+Na"	22.989218
"1608248"	357.087918	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Na"	22.989218
"320473"	346.096947	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+H+Na"	23.996494
"710709"	513.146297	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+H+Na"	23.996494
"1467811"	179.047597	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H+Na"	23.996494
"1064337"	119.700823333333	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2H+Na"	25.00377
"1266014"	367.132186	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+CH3OH+H"	33.033486
"390059"	707.160558	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+K"	38.963158
"749963"	1041.259258	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+K"	38.963158
"1550921"	373.061858	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+K"	38.963158
"312474"	354.083917	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+H+K"	39.970434
"701611"	521.133267	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+H+K"	39.970434
"1457623"	187.034567	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H+K"	39.970434
"250971"	710.231226	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+ACN+H"	42.033826
"1225136"	376.132526	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+ACN+H"	42.033826
"1209390"	188.569901	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+ACN+2H"	43.041102
"204055"	713.16856	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+2Na-H"	44.97116
"642915"	1047.26726	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+2Na-H"	44.97116
"1145322"	379.06986	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2Na-H"	44.97116
"186425"	357.087918	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+2Na"	45.978436
"626708"	524.137268	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+2Na"	45.978436
"1128392"	190.038568	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2Na"	45.978436
"1409734"	127.028137333333	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H+2Na"	46.985712
"1438565"	381.111446	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H+HCOOH"	47.012746
"232632"	362.12094	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+3H2O+2H"	56.04448
"1517415"	395.16349	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+IsoProp+H"	61.06479
"418203"	365.074888	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+Na+K"	61.952376
"779195"	532.124238	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+Na+K"	61.952376
"1676260"	198.025538	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Na+K"	61.952376
"261687"	732.213168	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+ACN+Na"	64.015768
"1234394"	398.114468	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+ACN+Na"	64.015768
"1726564"	398.137993	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+NH4+HCOOH"	64.039293
"1189731"	134.355451333333	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+3Na"	68.967654
"1659624"	403.093388	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Na+HCOOH"	68.994688
"169765"	745.11644	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+2K-H"	76.91904
"608231"	1079.21514	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+2K-H"	76.91904
"1093109"	411.01774	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2K-H"	76.91904
"150289"	373.061858	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"2M+2K"	77.926316
"587295"	540.111208	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"3M+2K"	77.926316
"1075090"	206.012508	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2K"	77.926316
"1108301"	413.032292	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2K+H"	78.933592
"1340311"	413.119907	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+DMSO+H"	79.021207
"1006044"	417.159076	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2ACN+H"	83.060376
"1526968"	418.152708	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+IsoProp+Na+H"	84.054008
"991593"	209.083176	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+2ACN+2H"	84.067652
"1587226"	419.067328	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+K+HCOOH"	84.968628
"1414212"	449.098838	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+H+CF3COOH"	115.000138
"1148244"	229.596451	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+3ACN+2H"	125.094202
"1706551"	466.125385	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+NH4+CF3COOH"	132.026685
"1641109"	471.08078	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+Na+CF3COOH"	136.98208
"1578948"	487.05472	"C05551"	"Penicillin G;Benzylpenicillin"	"C16H18N2O4S"	"334.0987"	"M+K+CF3COOH"	152.95602
"809316"	372.1831	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M"	0
"982849"	353.16471	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-H2O-H"	-19.01839
"72185"	247.114790666667	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M-3H"	-3.021828
"515030"	371.175824	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M-3H"	-3.021828
"882991"	123.053757333333	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-3H"	-3.021828
"4847"	371.175824	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M-2H"	-2.014552
"447686"	557.267374	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M-2H"	-2.014552
"825487"	185.084274	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-2H"	-2.014552
"84386"	743.358924	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M-H"	-1.007276
"523943"	1115.542024	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M-H"	-1.007276
"899560"	371.175824	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-H"	-1.007276
"52837"	760.385471	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M-2H+NH4"	16.019271
"494587"	1132.568571	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M-2H+NH4"	16.019271
"867283"	388.202371	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-2H+NH4"	16.019271
"40292"	765.340866	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M-2H+Na"	20.974666
"478760"	1137.523966	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M-2H+Na"	20.974666
"860939"	393.157766	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-2H+Na"	20.974666
"1629379"	393.157766	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Na-2H"	20.974666
"104816"	389.164163	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M-H+Cl"	33.962126
"545468"	575.255713	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M-H+Cl"	33.962126
"935705"	203.072613	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-H+Cl"	33.962126
"269157"	779.335602	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+Cl"	34.969402
"663401"	1151.518702	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+Cl"	34.969402
"1273981"	407.152502	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Cl"	34.969402
"18362"	781.314806	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M-2H+K"	36.948606
"457070"	1153.497906	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M-2H+K"	36.948606
"840098"	409.131706	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-2H+K"	36.948606
"1564683"	409.131706	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+K-2H"	36.948606
"950376"	417.181294	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-H+HCOOH"	44.998194
"374064"	789.364401	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+HCOOH-H"	44.998201
"359040"	803.380051	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+Hac-H"	59.013851
"1501308"	431.196951	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Hac-H"	59.013851
"970675"	439.163251	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-H+NaCOOH"	66.980151
"117759"	407.152502	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+2Cl"	69.938804
"564611"	593.244052	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+2Cl"	69.938804
"1030496"	221.060952	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2Cl"	69.938804
"1251169"	451.101985	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Br"	78.918885
"1306327"	453.157972	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Cl+HCOOH"	80.974872
"1328931"	475.139929	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Cl+NaCOOH"	102.956829
"917804"	485.168686	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M-H+CF3COOH"	112.985586
"1289043"	521.145364	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Cl+CF3COOH"	148.962264
"1369026"	337.170424	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H-2H2O"	-35.012676
"1383609"	355.1804	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H-H2O"	-17.0027
"284386"	745.373476	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+H"	1.007276
"678266"	1117.556576	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+H"	1.007276
"1354252"	373.190376	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H"	1.007276
"132612"	373.190376	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+2H"	2.014552
"569986"	559.281926	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+2H"	2.014552
"1039882"	187.098826	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2H"	2.014552
"207782"	249.129342666667	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+3H"	3.021828
"648435"	373.190376	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+3H"	3.021828
"1174216"	125.068309333333	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+3H"	3.021828
"434209"	762.400023	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+NH4"	18.033823
"790831"	1134.583123	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+NH4"	18.033823
"1683882"	390.216923	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+NH4"	18.033823
"340907"	381.7036495	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+H+NH4"	19.041099
"727861"	567.7951995	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+H+NH4"	19.041099
"1487150"	195.6120995	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H+NH4"	19.041099
"398174"	767.355418	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+Na"	22.989218
"758075"	1139.538518	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+Na"	22.989218
"1609454"	395.172318	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Na"	22.989218
"320584"	384.181347	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+H+Na"	23.996494
"713007"	570.272897	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+H+Na"	23.996494
"1469016"	198.089797	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H+Na"	23.996494
"1063355"	132.395623333333	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2H+Na"	25.00377
"1261023"	405.216586	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+CH3OH+H"	33.033486
"384701"	783.329358	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+K"	38.963158
"745697"	1155.512458	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+K"	38.963158
"1552122"	411.146258	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+K"	38.963158
"313313"	392.168317	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+H+K"	39.970434
"705005"	578.259867	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+H+K"	39.970434
"1460892"	206.076767	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H+K"	39.970434
"251290"	786.400026	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+ACN+H"	42.033826
"1224634"	414.216926	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+ACN+H"	42.033826
"1209622"	207.612101	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+ACN+2H"	43.041102
"204073"	789.33736	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+2Na-H"	44.97116
"644158"	1161.52046	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+2Na-H"	44.97116
"1145066"	417.15426	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2Na-H"	44.97116
"187505"	395.172318	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+2Na"	45.978436
"626455"	581.263868	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+2Na"	45.978436
"1127409"	209.080768	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2Na"	45.978436
"1408744"	139.722937333333	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H+2Na"	46.985712
"1437582"	419.195846	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H+HCOOH"	47.012746
"230559"	400.20534	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+3H2O+2H"	56.04448
"1519717"	433.24789	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+IsoProp+H"	61.06479
"419405"	403.159288	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+Na+K"	61.952376
"777117"	589.250838	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+Na+K"	61.952376
"1671265"	217.067738	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Na+K"	61.952376
"262890"	808.381968	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+ACN+Na"	64.015768
"1236333"	436.198868	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+ACN+Na"	64.015768
"1721570"	436.222393	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+NH4+HCOOH"	64.039293
"1186924"	147.050251333333	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+3Na"	68.967654
"1656816"	441.177788	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Na+HCOOH"	68.994688
"165865"	821.28524	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+2K-H"	76.91904
"609436"	1193.46834	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+2K-H"	76.91904
"1095042"	449.10214	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2K-H"	76.91904
"151127"	411.146258	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"2M+2K"	77.926316
"585221"	597.237808	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"3M+2K"	77.926316
"1073015"	225.054708	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2K"	77.926316
"1102216"	451.116692	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2K+H"	78.933592
"1341516"	451.204307	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+DMSO+H"	79.021207
"1007859"	455.243476	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2ACN+H"	83.060376
"1530360"	456.237108	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+IsoProp+Na+H"	84.054008
"991094"	228.125376	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+2ACN+2H"	84.067652
"1589122"	457.151728	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+K+HCOOH"	84.968628
"1414171"	487.183238	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+H+CF3COOH"	115.000138
"1147121"	248.638651	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+3ACN+2H"	125.094202
"1706661"	504.209785	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+NH4+CF3COOH"	132.026685
"1641219"	509.16518	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+Na+CF3COOH"	136.98208
"1572859"	525.13912	"C05552"	"Biocytin;N6-D-Biotinyl-L-lysine;epsilon-N-Biotinyl-L-lysine"	"C16H28N4O4S"	"372.1831"	"M+K+CF3COOH"	152.95602
"809426"	564.2279	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M"	0
"979678"	545.20951	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-H2O-H"	-19.01839
"65734"	375.144657333333	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M-3H"	-3.021828
"515139"	563.220624	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M-3H"	-3.021828
"889661"	187.068690666667	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-3H"	-3.021828
"7142"	563.220624	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M-2H"	-2.014552
"449981"	845.334574	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M-2H"	-2.014552
"827782"	281.106674	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-2H"	-2.014552
"85592"	1127.448524	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M-H"	-1.007276
"524054"	1691.676424	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M-H"	-1.007276
"904045"	563.220624	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-H"	-1.007276
"57324"	1144.475071	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M-2H+NH4"	16.019271
"494702"	1708.702971	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M-2H+NH4"	16.019271
"874324"	580.247171	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-2H+NH4"	16.019271
"38218"	1149.430466	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M-2H+Na"	20.974666
"482153"	1713.658366	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M-2H+Na"	20.974666
"861049"	585.202566	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-2H+Na"	20.974666
"1632773"	585.202566	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Na-2H"	20.974666
"107112"	581.208963	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M-H+Cl"	33.962126
"547766"	863.322913	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M-H+Cl"	33.962126
"941283"	299.095013	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-H+Cl"	33.962126
"271093"	1163.425202	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+Cl"	34.969402
"661081"	1727.653102	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+Cl"	34.969402
"1273851"	599.197302	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Cl"	34.969402
"18474"	1165.404406	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M-2H+K"	36.948606
"463500"	1729.632306	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M-2H+K"	36.948606
"838021"	601.176506	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-2H+K"	36.948606
"1562606"	601.176506	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+K-2H"	36.948606
"955957"	609.226094	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-H+HCOOH"	44.998194
"371985"	1173.454001	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+HCOOH-H"	44.998201
"354777"	1187.469651	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+Hac-H"	59.013851
"1502516"	623.241751	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Hac-H"	59.013851
"967871"	631.208051	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-H+NaCOOH"	66.980151
"124801"	599.197302	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+2Cl"	69.938804
"560716"	881.311252	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+2Cl"	69.938804
"1033522"	317.083352	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2Cl"	69.938804
"1253100"	643.146785	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Br"	78.918885
"1307896"	645.202772	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Cl+HCOOH"	80.974872
"1331227"	667.184729	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Cl+NaCOOH"	102.956829
"917914"	677.213486	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M-H+CF3COOH"	112.985586
"1290249"	713.190164	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Cl+CF3COOH"	148.962264
"1368409"	529.215224	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H-2H2O"	-35.012676
"1383352"	547.2252	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H-H2O"	-17.0027
"283766"	1129.463076	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+H"	1.007276
"677282"	1693.690976	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+H"	1.007276
"1354363"	565.235176	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H"	1.007276
"133815"	565.235176	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+2H"	2.014552
"571189"	847.349126	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+2H"	2.014552
"1042179"	283.121226	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2H"	2.014552
"206069"	377.159209333333	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+3H"	3.021828
"656930"	565.235176	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+3H"	3.021828
"1173234"	189.083242666667	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+3H"	3.021828
"433226"	1146.489623	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+NH4"	18.033823
"790942"	1710.717523	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+NH4"	18.033823
"1689460"	582.261723	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+NH4"	18.033823
"335550"	573.7484495	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+H+NH4"	19.041099
"734533"	855.8623995	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+H+NH4"	19.041099
"1485074"	291.6344995	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H+NH4"	19.041099
"399379"	1151.445018	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+Na"	22.989218
"763653"	1715.672918	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+Na"	22.989218
"1608471"	587.217118	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Na"	22.989218
"317414"	576.226147	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+H+Na"	23.996494
"710930"	858.340097	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+H+Na"	23.996494
"1469125"	294.112197	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H+Na"	23.996494
"1059091"	196.410556666667	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2H+Na"	25.00377
"1269519"	597.261386	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+CH3OH+H"	33.033486
"380436"	1167.418958	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+K"	38.963158
"743620"	1731.646858	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+K"	38.963158
"1546764"	603.191058	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+K"	38.963158
"309411"	584.213117	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+H+K"	39.970434
"700739"	866.327067	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+H+K"	39.970434
"1453466"	302.099167	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H+K"	39.970434
"250578"	1170.489626	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+ACN+H"	42.033826
"1225467"	606.261726	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+ACN+H"	42.033826
"1208146"	303.634501	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+ACN+2H"	43.041102
"203978"	1173.42696	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+2Na-H"	44.97116
"643377"	1737.65486	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+2Na-H"	44.97116
"1144813"	609.19906	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2Na-H"	44.97116
"184821"	587.217118	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+2Na"	45.978436
"623286"	869.331068	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+2Na"	45.978436
"1125333"	305.103168	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2Na"	45.978436
"1404484"	203.737870666667	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H+2Na"	46.985712
"1440610"	611.240646	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H+HCOOH"	47.012746
"230306"	592.25014	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+3H2O+2H"	56.04448
"1517276"	625.29269	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+IsoProp+H"	61.06479
"417328"	595.204088	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+Na+K"	61.952376
"776136"	877.318038	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+Na+K"	61.952376
"1678672"	313.090138	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Na+K"	61.952376
"262271"	1192.471568	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+ACN+Na"	64.015768
"1236075"	628.243668	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+ACN+Na"	64.015768
"1720583"	628.267193	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+NH4+HCOOH"	64.039293
"1187031"	211.065184666667	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+3Na"	68.967654
"1658016"	633.222588	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Na+HCOOH"	68.994688
"165972"	1205.37484	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+2K-H"	76.91904
"606625"	1769.60274	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+2K-H"	76.91904
"1098678"	641.14694	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2K-H"	76.91904
"154883"	603.191058	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"2M+2K"	77.926316
"593714"	885.305008	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"3M+2K"	77.926316
"1078592"	321.077108	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2K"	77.926316
"1107429"	643.161492	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2K+H"	78.933592
"1344906"	643.249107	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+DMSO+H"	79.021207
"1008335"	647.288276	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2ACN+H"	83.060376
"1526461"	648.281908	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+IsoProp+Na+H"	84.054008
"991812"	324.147776	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+2ACN+2H"	84.067652
"1591419"	649.196528	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+K+HCOOH"	84.968628
"1414526"	679.228038	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+H+CF3COOH"	115.000138
"1147366"	344.661051	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+3ACN+2H"	125.094202
"1697654"	696.254585	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+NH4+CF3COOH"	132.026685
"1638049"	701.20998	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+Na+CF3COOH"	136.98208
"1579168"	717.18392	"C05554"	"Aerobactin"	"C22H36N4O13"	"564.2279"	"M+K+CF3COOH"	152.95602
"812817"	363.1464	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M"	0
"979788"	344.12801	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-H2O-H"	-19.01839
"65844"	241.090324	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M-3H"	-3.021828
"517073"	362.139124	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M-3H"	-3.021828
"889769"	120.041524	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-3H"	-3.021828
"8346"	362.139124	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M-2H"	-2.014552
"452279"	543.712324	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M-2H"	-2.014552
"828987"	180.565924	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-2H"	-2.014552
"88981"	725.285524	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M-H"	-1.007276
"528539"	1088.431924	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M-H"	-1.007276
"901971"	362.139124	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-H"	-1.007276
"51973"	742.312071	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M-2H+NH4"	16.019271
"498091"	1105.458471	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M-2H+NH4"	16.019271
"873708"	379.165671	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-2H+NH4"	16.019271
"39421"	747.267466	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M-2H+Na"	20.974666
"482263"	1110.413866	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M-2H+Na"	20.974666
"860066"	384.121066	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-2H+Na"	20.974666
"1631789"	384.121066	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+Na-2H"	20.974666
"108560"	380.127463	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M-H+Cl"	33.962126
"542408"	561.700663	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M-H+Cl"	33.962126
"941153"	198.554263	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-H+Cl"	33.962126
"274483"	761.262202	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+Cl"	34.969402
"664719"	1124.408602	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+Cl"	34.969402
"1273962"	398.115802	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+Cl"	34.969402
"19677"	763.241406	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M-2H+K"	36.948606
"458145"	1126.387806	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M-2H+K"	36.948606
"847694"	400.095006	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-2H+K"	36.948606
"1567091"	400.095006	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+K-2H"	36.948606
"950600"	408.144594	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-H+HCOOH"	44.998194
"373190"	771.291001	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+HCOOH-H"	44.998201
"359993"	785.306651	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+Hac-H"	59.013851
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"974058"	430.126551	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-H+NaCOOH"	66.980151
"125503"	398.115802	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+2Cl"	69.938804
"563742"	579.689002	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+2Cl"	69.938804
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"922397"	476.131986	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M-H+CF3COOH"	112.985586
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"1383181"	346.1437	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H-H2O"	-17.0027
"284610"	727.300076	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+H"	1.007276
"678125"	1090.446476	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+H"	1.007276
"1359947"	364.153676	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H"	1.007276
"129552"	364.153676	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+2H"	2.014552
"572393"	545.726876	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+2H"	2.014552
"1044476"	182.580476	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2H"	2.014552
"206911"	243.104876	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+3H"	3.021828
"651936"	364.153676	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+3H"	3.021828
"1173342"	122.056076	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+3H"	3.021828
"430054"	744.326623	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+NH4"	18.033823
"794330"	1107.473023	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+NH4"	18.033823
"1685195"	381.180223	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+NH4"	18.033823
"333473"	372.6669495	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+H+NH4"	19.041099
"730269"	554.2401495	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+H+NH4"	19.041099
"1485913"	191.0937495	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H+NH4"	19.041099
"401676"	749.282018	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+Na"	22.989218
"762670"	1112.428418	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+Na"	22.989218
"1606396"	386.135618	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+Na"	22.989218
"317527"	375.144647	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+H+Na"	23.996494
"713228"	556.717847	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+H+Na"	23.996494
"1465955"	193.571447	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H+Na"	23.996494
"1061388"	129.38339	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2H+Na"	25.00377
"1267441"	396.179886	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+CH3OH+H"	33.033486
"381639"	765.255958	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+K"	38.963158
"741905"	1128.402358	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+K"	38.963158
"1544690"	402.109558	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+K"	38.963158
"307704"	383.131617	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+H+K"	39.970434
"704499"	564.704817	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+H+K"	39.970434
"1460919"	201.558417	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H+K"	39.970434
"250936"	768.326626	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+ACN+H"	42.033826
"1225228"	405.180226	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+ACN+H"	42.033826
"1206800"	203.093751	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+ACN+2H"	43.041102
"203802"	771.26396	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+2Na-H"	44.97116
"642146"	1134.41036	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+2Na-H"	44.97116
"1144921"	408.11756	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2Na-H"	44.97116
"186023"	386.135618	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+2Na"	45.978436
"624124"	567.708818	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+2Na"	45.978436
"1124351"	204.562418	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2Na"	45.978436
"1410427"	136.710704	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H+2Na"	46.985712
"1436711"	410.159146	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H+HCOOH"	47.012746
"228593"	391.16864	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+3H2O+2H"	56.04448
"1517751"	424.21119	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+IsoProp+H"	61.06479
"419627"	394.122588	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+Na+K"	61.952376
"781353"	575.695788	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+Na+K"	61.952376
"1678781"	212.549388	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+Na+K"	61.952376
"264206"	790.308568	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+ACN+Na"	64.015768
"1236187"	427.162168	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+ACN+Na"	64.015768
"1721789"	427.185693	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+NH4+HCOOH"	64.039293
"1190424"	144.038018	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+3Na"	68.967654
"1660316"	432.141088	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+Na+HCOOH"	68.994688
"170457"	803.21184	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+2K-H"	76.91904
"605643"	1166.35824	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+2K-H"	76.91904
"1093438"	440.06544	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2K-H"	76.91904
"151346"	402.109558	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"2M+2K"	77.926316
"595890"	583.682758	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"3M+2K"	77.926316
"1081983"	220.536358	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2K"	77.926316
"1108632"	442.079992	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2K+H"	78.933592
"1347204"	442.167607	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+DMSO+H"	79.021207
"1010267"	446.206776	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2ACN+H"	83.060376
"1528394"	447.200408	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+IsoProp+Na+H"	84.054008
"993749"	223.607026	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+2ACN+2H"	84.067652
"1588253"	448.115028	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+K+HCOOH"	84.968628
"1415009"	478.146538	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+H+CF3COOH"	115.000138
"1148578"	244.120301	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+3ACN+2H"	125.094202
"1710161"	495.173085	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+NH4+CF3COOH"	132.026685
"1641439"	500.12848	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+Na+CF3COOH"	136.98208
"1579278"	516.10242	"C05556"	"delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine;N-L-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine;L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine;ACV"	"C14H25N3O6S"	"363.1464"	"M+K+CF3COOH"	152.95602
"812926"	359.1151	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M"	0
"976619"	340.09671	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-H2O-H"	-19.01839
"65954"	238.402790666667	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M-3H"	-3.021828
"505513"	358.107824	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M-3H"	-3.021828
"890974"	118.697757333333	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-3H"	-3.021828
"7362"	358.107824	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M-2H"	-2.014552
"446921"	537.665374	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M-2H"	-2.014552
"823628"	178.550274	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-2H"	-2.014552
"84717"	717.222924	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M-H"	-1.007276
"522090"	1076.338024	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M-H"	-1.007276
"899893"	358.107824	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-H"	-1.007276
"55362"	734.249471	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M-2H+NH4"	16.019271
"493828"	1093.364571	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M-2H+NH4"	16.019271
"872725"	375.134371	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-2H+NH4"	16.019271
"39531"	739.204866	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M-2H+Na"	20.974666
"480188"	1098.319966	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M-2H+Na"	20.974666
"854708"	380.089766	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-2H+Na"	20.974666
"1629710"	380.089766	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Na-2H"	20.974666
"108426"	376.096163	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M-H+Cl"	33.962126
"540332"	555.653713	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M-H+Cl"	33.962126
"940410"	196.538613	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-H+Cl"	33.962126
"275689"	753.199602	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+Cl"	34.969402
"664829"	1112.314702	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+Cl"	34.969402
"1273951"	394.084502	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Cl"	34.969402
"17600"	755.178806	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M-2H+K"	36.948606
"459349"	1114.293906	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M-2H+K"	36.948606
"844806"	396.063706	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-2H+K"	36.948606
"1565014"	396.063706	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+K-2H"	36.948606
"946700"	404.113294	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-H+HCOOH"	44.998194
"370021"	763.228401	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+HCOOH-H"	44.998201
"359376"	777.244051	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+Hac-H"	59.013851
"1504924"	418.128951	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Hac-H"	59.013851
"973560"	426.095251	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-H+NaCOOH"	66.980151
"123930"	394.084502	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+2Cl"	69.938804
"555469"	573.642052	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+2Cl"	69.938804
"1033014"	214.526952	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2Cl"	69.938804
"1246032"	438.033985	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Br"	78.918885
"1307388"	440.089972	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Cl+HCOOH"	80.974872
"1331447"	462.071929	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Cl+NaCOOH"	102.956829
"923236"	472.100686	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M-H+CF3COOH"	112.985586
"1295941"	508.077364	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Cl+CF3COOH"	148.962264
"1372280"	324.102424	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H-2H2O"	-35.012676
"1385766"	342.1124	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H-H2O"	-17.0027
"283993"	719.237476	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+H"	1.007276
"676415"	1078.352576	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+H"	1.007276
"1360421"	360.122376	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H"	1.007276
"134036"	360.122376	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+2H"	2.014552
"574690"	539.679926	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+2H"	2.014552
"1044586"	180.564826	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2H"	2.014552
"207021"	240.417342666667	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+3H"	3.021828
"652046"	360.122376	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+3H"	3.021828
"1173452"	120.712309333333	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+3H"	3.021828
"431257"	736.264023	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+NH4"	18.033823
"794440"	1095.379123	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+NH4"	18.033823
"1685305"	377.148923	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+NH4"	18.033823
"339780"	368.6356495	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+H+NH4"	19.041099
"728192"	548.1931995	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+H+NH4"	19.041099
"1484201"	189.0780995	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H+NH4"	19.041099
"399599"	741.219418	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+Na"	22.989218
"760593"	1100.334518	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+Na"	22.989218
"1608693"	382.104318	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Na"	22.989218
"322011"	371.113347	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+H+Na"	23.996494
"716618"	550.670897	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+H+Na"	23.996494
"1468982"	191.555797	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H+Na"	23.996494
"1061498"	128.039623333333	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2H+Na"	25.00377
"1268645"	392.148586	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+CH3OH+H"	33.033486
"380661"	757.193358	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+K"	38.963158
"741653"	1116.308458	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+K"	38.963158
"1542614"	398.078258	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+K"	38.963158
"307814"	379.100317	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+H+K"	39.970434
"700598"	558.657867	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+H+K"	39.970434
"1456607"	199.542767	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H+K"	39.970434
"250557"	760.264026	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+ACN+H"	42.033826
"1224244"	401.148926	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+ACN+H"	42.033826
"1207523"	201.078101	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+ACN+2H"	43.041102
"201853"	763.20136	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+2Na-H"	44.97116
"641528"	1122.31646	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+2Na-H"	44.97116
"1144665"	404.08626	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2Na-H"	44.97116
"183582"	382.104318	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+2Na"	45.978436
"618769"	561.661868	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+2Na"	45.978436
"1124463"	202.546768	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2Na"	45.978436
"1409446"	135.366937333333	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H+2Na"	46.985712
"1439009"	406.127846	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H+HCOOH"	47.012746
"224331"	387.13734	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+3H2O+2H"	56.04448
"1515675"	420.17989	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+IsoProp+H"	61.06479
"420834"	390.091288	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+Na+K"	61.952376
"778549"	569.648838	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+Na+K"	61.952376
"1678525"	210.533738	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Na+K"	61.952376
"261401"	782.245968	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+ACN+Na"	64.015768
"1234109"	423.130868	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+ACN+Na"	64.015768
"1722995"	423.154393	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+NH4+HCOOH"	64.039293
"1188349"	142.694251333333	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+3Na"	68.967654
"1656054"	428.109788	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Na+HCOOH"	68.994688
"167289"	795.14924	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+2K-H"	76.91904
"602475"	1154.26434	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+2K-H"	76.91904
"1092453"	436.03414	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2K-H"	76.91904
"149270"	398.078258	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"2M+2K"	77.926316
"596812"	577.635808	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"3M+2K"	77.926316
"1082093"	218.520708	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2K"	77.926316
"1112024"	438.048692	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2K+H"	78.933592
"1346220"	438.136307	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+DMSO+H"	79.021207
"1014752"	442.175476	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2ACN+H"	83.060376
"1530691"	443.169108	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+IsoProp+Na+H"	84.054008
"992036"	221.591376	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+2ACN+2H"	84.067652
"1590550"	444.083728	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+K+HCOOH"	84.968628
"1414172"	474.115238	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+H+CF3COOH"	115.000138
"1148080"	242.104651	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+3ACN+2H"	125.094202
"1710271"	491.141785	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+NH4+CF3COOH"	132.026685
"1641548"	496.09718	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+Na+CF3COOH"	136.98208
"1579388"	512.07112	"C05557"	"Isopenicillin N"	"C14H21N3O6S"	"359.1151"	"M+K+CF3COOH"	152.95602
"802825"	490.1213	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M"	0
"977822"	471.10291	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-H2O-H"	-19.01839
"64603"	325.740257333333	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M-3H"	-3.021828
"506351"	489.114024	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M-3H"	-3.021828
"892905"	162.366490666667	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-3H"	-3.021828
"12936"	489.114024	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M-2H"	-2.014552
"449217"	734.174674	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M-2H"	-2.014552
"827018"	244.053374	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-2H"	-2.014552
"87013"	979.235324	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M-H"	-1.007276
"522199"	1469.356624	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M-H"	-1.007276
"900003"	489.114024	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-H"	-1.007276
"54379"	996.261871	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M-2H+NH4"	16.019271
"491752"	1486.383171	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M-2H+NH4"	16.019271
"873928"	506.140571	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-2H+NH4"	16.019271
"38547"	1001.217266	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M-2H+Na"	20.974666
"481391"	1491.338566	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M-2H+Na"	20.974666
"853725"	511.095966	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-2H+Na"	20.974666
"1629820"	511.095966	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Na-2H"	20.974666
"108537"	507.102363	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M-H+Cl"	33.962126
"544816"	752.163013	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M-H+Cl"	33.962126
"940523"	262.041713	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-H+Cl"	33.962126
"276892"	1015.212002	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+Cl"	34.969402
"664939"	1505.333302	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+Cl"	34.969402
"1274546"	525.090702	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Cl"	34.969402
"16250"	1017.191206	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M-2H+K"	36.948606
"459459"	1507.312506	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M-2H+K"	36.948606
"847349"	527.069906	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-2H+K"	36.948606
"1565124"	527.069906	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+K-2H"	36.948606
"946446"	535.119494	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-H+HCOOH"	44.998194
"373410"	1025.240801	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+HCOOH-H"	44.998201
"358759"	1039.256451	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+Hac-H"	59.013851
"1505034"	549.135151	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Hac-H"	59.013851
"972213"	557.101451	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-H+NaCOOH"	66.980151
"120391"	525.090702	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+2Cl"	69.938804
"558860"	770.151352	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+2Cl"	69.938804
"1029843"	280.030052	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2Cl"	69.938804
"1248328"	569.040185	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Br"	78.918885
"1308226"	571.096172	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Cl+HCOOH"	80.974872
"1328277"	593.078129	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Cl+NaCOOH"	102.956829
"917148"	603.106886	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M-H+CF3COOH"	112.985586
"1296052"	639.083564	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Cl+CF3COOH"	148.962264
"1374213"	455.108624	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H-2H2O"	-35.012676
"1389522"	473.1186	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H-H2O"	-17.0027
"291393"	981.249876	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+H"	1.007276
"678712"	1471.371176	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+H"	1.007276
"1359073"	491.128576	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H"	1.007276
"135969"	491.128576	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+2H"	2.014552
"577353"	736.189226	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+2H"	2.014552
"1044696"	246.067926	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2H"	2.014552
"212598"	327.754809333333	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+3H"	3.021828
"651063"	491.128576	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+3H"	3.021828
"1171376"	164.381042666667	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+3H"	3.021828
"433555"	998.276423	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+NH4"	18.033823
"797102"	1488.397723	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+NH4"	18.033823
"1688697"	508.155123	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+NH4"	18.033823
"339162"	499.6418495	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+H+NH4"	19.041099
"730491"	744.7024995	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+H+NH4"	19.041099
"1484312"	254.5811995	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H+NH4"	19.041099
"404812"	1003.231818	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+Na"	22.989218
"764713"	1493.353118	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+Na"	22.989218
"1607710"	513.110518	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Na"	22.989218
"322120"	502.119547	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+H+Na"	23.996494
"712355"	747.180197	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+H+Na"	23.996494
"1470550"	257.058897	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H+Na"	23.996494
"1061608"	171.708356666667	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2H+Na"	25.00377
"1268754"	523.154786	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+CH3OH+H"	33.033486
"381864"	1019.205758	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+K"	38.963158
"742126"	1509.327058	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+K"	38.963158
"1542725"	529.084458	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+K"	38.963158
"305372"	510.106517	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+H+K"	39.970434
"705938"	755.167167	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+H+K"	39.970434
"1454895"	265.045867	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H+K"	39.970434
"247871"	1022.276426	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+ACN+H"	42.033826
"1225079"	532.155126	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+ACN+H"	42.033826
"1208237"	266.581201	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+ACN+2H"	43.041102
"201959"	1025.21376	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+2Na-H"	44.97116
"640908"	1515.33506	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+2Na-H"	44.97116
"1143682"	535.09246	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2Na-H"	44.97116
"183692"	513.110518	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+2Na"	45.978436
"618879"	758.171168	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+2Na"	45.978436
"1124573"	268.049868	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2Na"	45.978436
"1409190"	179.035670666667	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H+2Na"	46.985712
"1439119"	537.134046	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H+HCOOH"	47.012746
"227721"	518.14354	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+3H2O+2H"	56.04448
"1515785"	551.18609	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+IsoProp+H"	61.06479
"419848"	521.097488	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+Na+K"	61.952376
"780846"	766.158138	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+Na+K"	61.952376
"1678271"	276.036838	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Na+K"	61.952376
"265521"	1044.258368	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+ACN+Na"	64.015768
"1232033"	554.137068	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+ACN+Na"	64.015768
"1719825"	554.160593	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+NH4+HCOOH"	64.039293
"1186272"	186.362984666667	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+3Na"	68.967654
"1653978"	559.115988	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Na+HCOOH"	68.994688
"167400"	1057.16164	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+2K-H"	76.91904
"601491"	1547.28294	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+2K-H"	76.91904
"1094751"	567.04034	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2K-H"	76.91904
"152661"	529.084458	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"2M+2K"	77.926316
"596112"	774.145108	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"3M+2K"	77.926316
"1082203"	284.023808	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2K"	77.926316
"1108854"	569.054892	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2K+H"	78.933592
"1344145"	569.142507	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+DMSO+H"	79.021207
"1019237"	573.181676	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2ACN+H"	83.060376
"1535175"	574.175308	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+IsoProp+Na+H"	84.054008
"993603"	287.094476	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+2ACN+2H"	84.067652
"1591753"	575.089928	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+K+HCOOH"	84.968628
"1419604"	605.121438	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+H+CF3COOH"	115.000138
"1148190"	307.607751	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+3ACN+2H"	125.094202
"1703820"	622.147985	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+NH4+CF3COOH"	132.026685
"1641657"	627.10338	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+Na+CF3COOH"	136.98208
"1579498"	643.07732	"C05560"	"L-2-Aminoadipate adenylate;5-Adenylyl-2-aminoadipate;alpha-Aminoadipoyl-C6-AMP"	"C16H23N6O10P"	"490.1213"	"M+K+CF3COOH"	152.95602
"801544"	98.048	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M"	0
"980119"	79.02961	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-H2O-H"	-19.01839
"66173"	64.3580573333333	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M-3H"	-3.021828
"505734"	97.040724	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M-3H"	-3.021828
"894352"	31.6753906666667	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-3H"	-3.021828
"9769"	97.040724	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M-2H"	-2.014552
"449328"	146.064724	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M-2H"	-2.014552
"826035"	48.016724	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-2H"	-2.014552
"87123"	195.088724	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M-H"	-1.007276
"526682"	293.136724	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M-H"	-1.007276
"902300"	97.040724	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-H"	-1.007276
"55579"	212.115271	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M-2H+NH4"	16.019271
"494046"	310.163271	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M-2H+NH4"	16.019271
"874037"	114.067271	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-2H+NH4"	16.019271
"37568"	217.070666	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M-2H+Na"	20.974666
"482597"	315.118666	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M-2H+Na"	20.974666
"863316"	119.022666	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-2H+Na"	20.974666
"1629930"	119.022666	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Na-2H"	20.974666
"105367"	115.029063	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M-H+Cl"	33.962126
"549183"	164.053063	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M-H+Cl"	33.962126
"941969"	66.005063	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-H+Cl"	33.962126
"277002"	231.065402	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+Cl"	34.969402
"662862"	329.113402	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+Cl"	34.969402
"1275387"	133.017402	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Cl"	34.969402
"18915"	233.044606	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M-2H+K"	36.948606
"459569"	331.092606	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M-2H+K"	36.948606
"847579"	134.996606	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-2H+K"	36.948606
"1565235"	134.996606	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+K-2H"	36.948606
"954211"	143.046194	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-H+HCOOH"	44.998194
"373522"	241.094201	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+HCOOH-H"	44.998201
"358504"	255.109851	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+Hac-H"	59.013851
"1506850"	157.061851	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Hac-H"	59.013851
"971959"	165.028151	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-H+NaCOOH"	66.980151
"119408"	133.017402	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+2Cl"	69.938804
"562249"	182.041402	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+2Cl"	69.938804
"1034326"	83.993402	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2Cl"	69.938804
"1246251"	176.966885	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Br"	78.918885
"1307607"	179.022872	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Cl+HCOOH"	80.974872
"1328387"	201.004829	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Cl+NaCOOH"	102.956829
"917258"	211.033586	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M-H+CF3COOH"	112.985586
"1297256"	247.010264	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Cl+CF3COOH"	148.962264
"1376511"	63.035324	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H-2H2O"	-35.012676
"1392913"	81.0453	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H-H2O"	-17.0027
"288588"	197.103276	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+H"	1.007276
"678823"	295.151276	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+H"	1.007276
"1359183"	99.055276	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H"	1.007276
"136443"	99.055276	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+2H"	2.014552
"575640"	148.079276	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+2H"	2.014552
"1044806"	50.031276	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2H"	2.014552
"209428"	66.3726093333333	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+3H"	3.021828
"651173"	99.055276	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+3H"	3.021828
"1175860"	33.6899426666667	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+3H"	3.021828
"432572"	214.129823	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+NH4"	18.033823
"798671"	312.177823	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+NH4"	18.033823
"1688807"	116.081823	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+NH4"	18.033823
"339272"	107.5685495	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+H+NH4"	19.041099
"731694"	156.5925495	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+H+NH4"	19.041099
"1485515"	58.5445495	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H+NH4"	19.041099
"404558"	219.085218	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+Na"	22.989218
"766280"	317.133218	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+Na"	22.989218
"1607820"	121.037218	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Na"	22.989218
"321136"	110.046247	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+H+Na"	23.996494
"712465"	159.070247	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+H+Na"	23.996494
"1471753"	61.022247	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H+Na"	23.996494
"1062812"	41.0172566666667	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2H+Na"	25.00377
"1268865"	131.081486	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+CH3OH+H"	33.033486
"380151"	235.059158	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+K"	38.963158
"745154"	333.107158	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+K"	38.963158
"1545024"	137.011158	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+K"	38.963158
"306573"	118.033217	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+H+K"	39.970434
"707021"	167.057217	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+H+K"	39.970434
"1460109"	69.009217	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H+K"	39.970434
"249074"	238.129826	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+ACN+H"	42.033826
"1220687"	140.081826	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+ACN+H"	42.033826
"1208947"	70.544551	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+ACN+2H"	43.041102
"202189"	241.06716	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+2Na-H"	44.97116
"641747"	339.11516	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+2Na-H"	44.97116
"1143793"	143.01916	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2Na-H"	44.97116
"182709"	121.037218	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+2Na"	45.978436
"620081"	170.061218	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+2Na"	45.978436
"1124684"	72.013218	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2Na"	45.978436
"1410393"	48.3445706666667	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H+2Na"	46.985712
"1440322"	145.060746	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H+HCOOH"	47.012746
"231110"	126.07024	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+3H2O+2H"	56.04448
"1519174"	159.11279	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+IsoProp+H"	61.06479
"416678"	129.024188	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+Na+K"	61.952376
"782051"	178.048188	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+Na+K"	61.952376
"1678746"	80.000188	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Na+K"	61.952376
"262714"	260.111768	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+ACN+Na"	64.015768
"1232143"	162.063768	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+ACN+Na"	64.015768
"1723215"	162.087293	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+NH4+HCOOH"	64.039293
"1185289"	55.6718846666667	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+3Na"	68.967654
"1657368"	167.042688	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Na+HCOOH"	68.994688
"170790"	273.01504	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+2K-H"	76.91904
"599416"	371.06304	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+2K-H"	76.91904
"1089393"	174.96704	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2K-H"	76.91904
"149491"	137.011158	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"2M+2K"	77.926316
"590145"	186.035158	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"3M+2K"	77.926316
"1081221"	87.987158	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2K"	77.926316
"1111150"	176.981592	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2K+H"	78.933592
"1342068"	177.069207	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+DMSO+H"	79.021207
"1012787"	181.108376	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2ACN+H"	83.060376
"1533099"	182.102008	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+IsoProp+Na+H"	84.054008
"994080"	91.057826	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+2ACN+2H"	84.067652
"1589309"	183.016628	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+K+HCOOH"	84.968628
"1419714"	213.048138	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+H+CF3COOH"	115.000138
"1154376"	111.571101	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+3ACN+2H"	125.094202
"1705023"	230.074685	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+NH4+CF3COOH"	132.026685
"1641768"	235.03008	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+Na+CF3COOH"	136.98208
"1575231"	251.00402	"C05562"	"1H-Imidazole-4-methanol;Imidazole-4-methanol"	"C4H6N2O"	"98.048"	"M+K+CF3COOH"	152.95602
"804505"	172.0484	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M"	0
"984602"	153.03001	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-H2O-H"	-19.01839
"66283"	113.691657333333	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M-3H"	-3.021828
"503650"	171.041124	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M-3H"	-3.021828
"892396"	56.3421906666667	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-3H"	-3.021828
"10969"	171.041124	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M-2H"	-2.014552
"449437"	257.065324	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M-2H"	-2.014552
"829425"	85.016924	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-2H"	-2.014552
"91606"	343.089524	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M-H"	-1.007276
"526793"	515.137924	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M-H"	-1.007276
"906782"	171.041124	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-H"	-1.007276
"60062"	360.116071	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M-2H+NH4"	16.019271
"499624"	532.164471	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M-2H+NH4"	16.019271
"878034"	188.067671	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-2H+NH4"	16.019271
"40958"	365.071466	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M-2H+Na"	20.974666
"484893"	537.119866	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M-2H+Na"	20.974666
"863753"	193.023066	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-2H+Na"	20.974666
"1631133"	193.023066	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Na-2H"	20.974666
"106570"	189.029463	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M-H+Cl"	33.962126
"548808"	275.053663	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M-H+Cl"	33.962126
"941109"	103.005263	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-H+Cl"	33.962126
"276020"	379.066202	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+Cl"	34.969402
"665160"	551.114602	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+Cl"	34.969402
"1278657"	207.017802	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Cl"	34.969402
"24493"	381.045406	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M-2H+K"	36.948606
"462959"	553.093806	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M-2H+K"	36.948606
"847690"	208.997006	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-2H+K"	36.948606
"1564250"	208.997006	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+K-2H"	36.948606
"955414"	217.046594	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-H+HCOOH"	44.998194
"373632"	389.095001	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+HCOOH-H"	44.998201
"358245"	403.110651	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+Hac-H"	59.013851
"1505253"	231.062251	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Hac-H"	59.013851
"973610"	239.028551	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-H+NaCOOH"	66.980151
"124983"	207.017802	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+2Cl"	69.938804
"561265"	293.042002	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+2Cl"	69.938804
"1031156"	120.993602	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2Cl"	69.938804
"1248183"	250.967285	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Br"	78.918885
"1312091"	253.023272	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Cl+HCOOH"	80.974872
"1326308"	275.005229	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Cl+NaCOOH"	102.956829
"918460"	285.033986	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M-H+CF3COOH"	112.985586
"1297366"	321.010664	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Cl+CF3COOH"	148.962264
"1377714"	137.035724	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H-2H2O"	-35.012676
"1393023"	155.0457	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H-H2O"	-17.0027
"288698"	345.104076	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+H"	1.007276
"679297"	517.152476	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+H"	1.007276
"1359293"	173.055676	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H"	1.007276
"136189"	173.055676	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+2H"	2.014552
"575750"	259.079876	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+2H"	2.014552
"1046009"	87.031476	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2H"	2.014552
"211725"	115.706209333333	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+3H"	3.021828
"653469"	173.055676	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+3H"	3.021828
"1174877"	58.3567426666667	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+3H"	3.021828
"434868"	362.130623	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+NH4"	18.033823
"798781"	534.179023	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+NH4"	18.033823
"1691104"	190.082223	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+NH4"	18.033823
"339382"	181.5689495	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+H+NH4"	19.041099
"731805"	267.5931495	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+H+NH4"	19.041099
"1484532"	95.5447495	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H+NH4"	19.041099
"402116"	367.086018	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+Na"	22.989218
"764204"	539.134418	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+Na"	22.989218
"1606836"	195.037618	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Na"	22.989218
"321246"	184.046647	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+H+Na"	23.996494
"711482"	270.070847	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+H+Na"	23.996494
"1470770"	98.022447	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H+Na"	23.996494
"1064015"	65.6840566666667	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2H+Na"	25.00377
"1271160"	205.081886	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+CH3OH+H"	33.033486
"386458"	383.059958	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+K"	38.963158
"745264"	555.108358	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+K"	38.963158
"1547320"	211.011558	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+K"	38.963158
"303404"	192.033617	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+H+K"	39.970434
"704212"	278.057817	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+H+K"	39.970434
"1457302"	106.009417	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H+K"	39.970434
"243715"	386.130626	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+ACN+H"	42.033826
"1217517"	214.082226	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+ACN+H"	42.033826
"1209463"	107.544751	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+ACN+2H"	43.041102
"203270"	389.06796	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+2Na-H"	44.97116
"642220"	561.11636	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+2Na-H"	44.97116
"1143902"	217.01956	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2Na-H"	44.97116
"182820"	195.037618	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+2Na"	45.978436
"620192"	281.061818	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+2Na"	45.978436
"1126979"	109.013418	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2Na"	45.978436
"1410503"	73.0113706666667	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H+2Na"	46.985712
"1439338"	219.061146	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H+HCOOH"	47.012746
"231220"	200.07064	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+3H2O+2H"	56.04448
"1519284"	233.11319	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+IsoProp+H"	61.06479
"421160"	203.024588	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+Na+K"	61.952376
"782159"	289.048788	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+Na+K"	61.952376
"1679948"	117.000388	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Na+K"	61.952376
"262824"	408.112568	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+ACN+Na"	64.015768
"1235533"	236.064168	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+ACN+Na"	64.015768
"1726605"	236.087693	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+NH4+HCOOH"	64.039293
"1190865"	80.3386846666667	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+3Na"	68.967654
"1658571"	241.043088	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Na+HCOOH"	68.994688
"167620"	421.01584	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+2K-H"	76.91904
"603899"	593.06424	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+2K-H"	76.91904
"1090596"	248.96744	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2K-H"	76.91904
"148508"	211.011558	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"2M+2K"	77.926316
"590255"	297.035758	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"3M+2K"	77.926316
"1079144"	124.987358	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2K"	77.926316
"1111260"	250.981992	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2K+H"	78.933592
"1343271"	251.069607	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+DMSO+H"	79.021207
"1012897"	255.108776	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2ACN+H"	83.060376
"1534302"	256.102408	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+IsoProp+Na+H"	84.054008
"995283"	128.058026	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+2ACN+2H"	84.067652
"1588690"	257.017028	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+K+HCOOH"	84.968628
"1419824"	287.048538	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+H+CF3COOH"	115.000138
"1153393"	148.571301	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+3ACN+2H"	125.094202
"1705133"	304.075085	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+NH4+CF3COOH"	132.026685
"1641878"	309.03048	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+Na+CF3COOH"	136.98208
"1575341"	325.00442	"C05565"	"Hydantoin-5-propionate;Hydantoin-propionate"	"C6H8N2O4"	"172.0484"	"M+K+CF3COOH"	152.95602
"801820"	156.0535	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M"	0
"981432"	137.03511	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-H2O-H"	-19.01839
"65300"	103.028390666667	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M-3H"	-3.021828
"502935"	155.046224	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M-3H"	-3.021828
"892141"	51.0105573333333	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-3H"	-3.021828
"7798"	155.046224	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M-2H"	-2.014552
"448454"	233.072974	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M-2H"	-2.014552
"825161"	77.019474	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-2H"	-2.014552
"85154"	311.099724	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M-H"	-1.007276
"526903"	467.153224	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M-H"	-1.007276
"904705"	155.046224	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-H"	-1.007276
"54706"	328.126271	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M-2H+NH4"	16.019271
"497547"	484.179771	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M-2H+NH4"	16.019271
"875348"	172.072771	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-2H+NH4"	16.019271
"42160"	333.081666	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M-2H+Na"	20.974666
"479533"	489.135166	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M-2H+Na"	20.974666
"861711"	177.028166	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-2H+Na"	20.974666
"1631243"	177.028166	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Na-2H"	20.974666
"104493"	173.034563	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M-H+Cl"	33.962126
"548795"	251.061313	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M-H+Cl"	33.962126
"942187"	95.007813	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-H+Cl"	33.962126
"277223"	347.076402	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+Cl"	34.969402
"663083"	503.129902	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+Cl"	34.969402
"1279860"	191.022902	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Cl"	34.969402
"20229"	349.055606	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M-2H+K"	36.948606
"459789"	505.109106	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M-2H+K"	36.948606
"846340"	193.002106	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-2H+K"	36.948606
"1563266"	193.002106	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+K-2H"	36.948606
"955889"	201.051694	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-H+HCOOH"	44.998194
"373742"	357.105201	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+HCOOH-H"	44.998201
"358719"	371.120851	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+Hac-H"	59.013851
"1505363"	215.067351	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Hac-H"	59.013851
"973757"	223.033651	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-H+NaCOOH"	66.980151
"124000"	191.022902	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+2Cl"	69.938804
"560282"	269.049652	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+2Cl"	69.938804
"1030173"	112.996152	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2Cl"	69.938804
"1247200"	234.972385	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Br"	78.918885
"1308191"	237.028372	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Cl+HCOOH"	80.974872
"1323136"	259.010329	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Cl+NaCOOH"	102.956829
"917477"	269.039086	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M-H+CF3COOH"	112.985586
"1295288"	305.015764	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Cl+CF3COOH"	148.962264
"1376729"	121.040824	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H-2H2O"	-35.012676
"1389852"	139.0508	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H-H2O"	-17.0027
"291725"	313.114276	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+H"	1.007276
"681959"	469.167776	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+H"	1.007276
"1362683"	157.060776	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H"	1.007276
"135935"	157.060776	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+2H"	2.014552
"578047"	235.087526	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+2H"	2.014552
"1045026"	79.034026	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2H"	2.014552
"212929"	105.042942666667	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+3H"	3.021828
"656861"	157.060776	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+3H"	3.021828
"1174987"	53.0251093333333	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+3H"	3.021828
"433887"	330.140823	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+NH4"	18.033823
"797800"	486.194323	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+NH4"	18.033823
"1691215"	174.087323	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+NH4"	18.033823
"338400"	165.5740495	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+H+NH4"	19.041099
"726447"	243.6007995	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+H+NH4"	19.041099
"1482455"	87.5472995	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H+NH4"	19.041099
"396759"	335.096218	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+Na"	22.989218
"761034"	491.149718	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+Na"	22.989218
"1605853"	179.042718	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Na"	22.989218
"321356"	168.051747	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+H+Na"	23.996494
"713779"	246.078497	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+H+Na"	23.996494
"1469787"	90.024997	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H+Na"	23.996494
"1064125"	60.3524233333333	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2H+Na"	25.00377
"1270177"	189.086986	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+CH3OH+H"	33.033486
"385474"	351.070158	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+K"	38.963158
"742094"	507.123658	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+K"	38.963158
"1547430"	195.016658	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+K"	38.963158
"304607"	176.038717	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+H+K"	39.970434
"701406"	254.065467	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+H+K"	39.970434
"1456319"	98.011967	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H+K"	39.970434
"243825"	354.140826	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+ACN+H"	42.033826
"1217627"	198.087326	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+ACN+H"	42.033826
"1208802"	99.547301	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+ACN+2H"	43.041102
"202047"	357.07816	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+2Na-H"	44.97116
"642330"	513.13166	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+2Na-H"	44.97116
"1143284"	201.02466	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2Na-H"	44.97116
"181837"	179.042718	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+2Na"	45.978436
"619209"	257.069468	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+2Na"	45.978436
"1124903"	101.015968	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2Na"	45.978436
"1409519"	67.6797373333333	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H+2Na"	46.985712
"1435075"	203.066246	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H+HCOOH"	47.012746
"230966"	184.07574	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+3H2O+2H"	56.04448
"1512832"	217.11829	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+IsoProp+H"	61.06479
"422364"	187.029688	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+Na+K"	61.952376
"782268"	265.056438	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+Na+K"	61.952376
"1678599"	109.002938	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Na+K"	61.952376
"260747"	376.122768	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+ACN+Na"	64.015768
"1229809"	220.069268	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+ACN+Na"	64.015768
"1721248"	220.092793	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+NH4+HCOOH"	64.039293
"1186600"	75.0070513333333	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+3Na"	68.967654
"1657587"	225.048188	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Na+HCOOH"	68.994688
"167730"	389.02604	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+2K-H"	76.91904
"601821"	545.07954	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+2K-H"	76.91904
"1090705"	232.97254	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2K-H"	76.91904
"144245"	195.016658	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"2M+2K"	77.926316
"585992"	273.043408	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"3M+2K"	77.926316
"1075974"	116.989908	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2K"	77.926316
"1108090"	234.987092	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2K+H"	78.933592
"1342288"	235.074707	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+DMSO+H"	79.021207
"1013007"	239.113876	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2ACN+H"	83.060376
"1534412"	240.107508	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+IsoProp+Na+H"	84.054008
"992840"	120.060576	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+2ACN+2H"	84.067652
"1588555"	241.022128	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+K+HCOOH"	84.968628
"1417747"	271.053638	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+H+CF3COOH"	115.000138
"1153503"	140.573851	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+3ACN+2H"	125.094202
"1705243"	288.080185	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+NH4+CF3COOH"	132.026685
"1641988"	293.03558	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+Na+CF3COOH"	136.98208
"1575451"	309.00952	"C05568"	"Imidazole lactate;Imidazole lactic acid;2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid"	"C6H8N2O3"	"156.0535"	"M+K+CF3COOH"	152.95602
"801480"	230.0963	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M"	0
"981542"	211.07791	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-H2O-H"	-19.01839
"64317"	152.390257333333	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M-3H"	-3.021828
"507156"	229.089024	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M-3H"	-3.021828
"890065"	75.6914906666667	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-3H"	-3.021828
"11188"	229.089024	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M-2H"	-2.014552
"448564"	344.137174	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M-2H"	-2.014552
"824179"	114.040874	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-2H"	-2.014552
"90733"	459.185324	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M-H"	-1.007276
"528107"	689.281624	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M-H"	-1.007276
"905910"	229.089024	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-H"	-1.007276
"49349"	476.211871	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M-2H+NH4"	16.019271
"495472"	706.308171	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M-2H+NH4"	16.019271
"873274"	246.115571	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-2H+NH4"	16.019271
"45551"	481.167266	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M-2H+Na"	20.974666
"486334"	711.263566	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M-2H+Na"	20.974666
"861093"	251.070966	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-2H+Na"	20.974666
"1632455"	251.070966	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Na-2H"	20.974666
"108613"	247.077363	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M-H+Cl"	33.962126
"546350"	362.125513	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M-H+Cl"	33.962126
"941206"	132.029213	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-H+Cl"	33.962126
"277333"	495.162002	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+Cl"	34.969402
"663193"	725.258302	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+Cl"	34.969402
"1279970"	265.065702	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Cl"	34.969402
"20339"	497.141206	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M-2H+K"	36.948606
"459899"	727.237506	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M-2H+K"	36.948606
"846085"	267.044906	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-2H+K"	36.948606
"1562283"	267.044906	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+K-2H"	36.948606
"952354"	275.094494	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-H+HCOOH"	44.998194
"371664"	505.190801	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+HCOOH-H"	44.998201
"355549"	519.206451	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+Hac-H"	59.013851
"1502193"	289.110151	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Hac-H"	59.013851
"970830"	297.076451	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-H+NaCOOH"	66.980151
"121923"	265.065702	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+2Cl"	69.938804
"560392"	380.113852	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+2Cl"	69.938804
"1025544"	150.017552	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2Cl"	69.938804
"1245488"	309.015185	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Br"	78.918885
"1306113"	311.071172	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Cl+HCOOH"	80.974872
"1324705"	333.053129	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Cl+NaCOOH"	102.956829
"923421"	343.081886	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M-H+CF3COOH"	112.985586
"1292118"	379.058564	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Cl+CF3COOH"	148.962264
"1375746"	195.083624	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H-2H2O"	-35.012676
"1393606"	213.0936	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H-H2O"	-17.0027
"288554"	461.199876	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+H"	1.007276
"682069"	691.296176	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+H"	1.007276
"1362429"	231.103576	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H"	1.007276
"133494"	231.103576	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+2H"	2.014552
"578158"	346.151726	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+2H"	2.014552
"1050240"	116.055426	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2H"	2.014552
"216318"	154.404809333333	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+3H"	3.021828
"653689"	231.103576	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+3H"	3.021828
"1170721"	77.7060426666667	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+3H"	3.021828
"436183"	478.226423	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+NH4"	18.033823
"796087"	708.322723	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+NH4"	18.033823
"1686950"	248.130123	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+NH4"	18.033823
"334135"	239.6168495	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+H+NH4"	19.041099
"729837"	354.6649995	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+H+NH4"	19.041099
"1483658"	124.5686995	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H+NH4"	19.041099
"396870"	483.181818	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+Na"	22.989218
"762238"	713.278118	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+Na"	22.989218
"1610339"	253.085518	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Na"	22.989218
"322561"	242.094547	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+H+Na"	23.996494
"714985"	357.142697	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+H+Na"	23.996494
"1472085"	127.046397	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H+Na"	23.996494
"1065331"	85.0333566666667	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2H+Na"	25.00377
"1269195"	263.129786	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+CH3OH+H"	33.033486
"386678"	499.155758	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+K"	38.963158
"746579"	729.252058	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+K"	38.963158
"1547543"	269.059458	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+K"	38.963158
"310915"	250.081517	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+H+K"	39.970434
"702609"	365.129667	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+H+K"	39.970434
"1455334"	135.033367	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H+K"	39.970434
"243937"	502.226426	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+ACN+H"	42.033826
"1218831"	272.130126	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+ACN+H"	42.033826
"1208912"	136.568701	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+ACN+2H"	43.041102
"201061"	505.16376	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+2Na-H"	44.97116
"639524"	735.26006	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+2Na-H"	44.97116
"1140841"	275.06746	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2Na-H"	44.97116
"183766"	253.085518	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+2Na"	45.978436
"621870"	368.133668	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+2Na"	45.978436
"1124647"	138.037368	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2Na"	45.978436
"1404162"	92.3606706666667	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H+2Na"	46.985712
"1436278"	277.109046	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H+HCOOH"	47.012746
"228523"	258.11854	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+3H2O+2H"	56.04448
"1514035"	291.16109	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+IsoProp+H"	61.06479
"423447"	261.072488	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+Na+K"	61.952376
"783470"	376.120638	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+Na+K"	61.952376
"1677616"	146.024338	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Na+K"	61.952376
"260857"	524.208368	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+ACN+Na"	64.015768
"1231741"	294.112068	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+ACN+Na"	64.015768
"1721358"	294.135593	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+NH4+HCOOH"	64.039293
"1187805"	99.6879846666667	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+3Na"	68.967654
"1656605"	299.090988	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Na+HCOOH"	68.994688
"160914"	537.11164	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+2K-H"	76.91904
"604117"	767.20794	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+2K-H"	76.91904
"1089725"	307.01534	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2K-H"	76.91904
"143990"	269.059458	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"2M+2K"	77.926316
"588289"	384.107608	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"3M+2K"	77.926316
"1079364"	154.011308	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2K"	77.926316
"1108200"	309.029892	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2K+H"	78.933592
"1341305"	309.117507	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+DMSO+H"	79.021207
"1019556"	313.156676	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2ACN+H"	83.060376
"1531243"	314.150308	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+IsoProp+Na+H"	84.054008
"992585"	157.081976	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+2ACN+2H"	84.067652
"1592192"	315.064928	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+K+HCOOH"	84.968628
"1417851"	345.096438	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+H+CF3COOH"	115.000138
"1148142"	177.595251	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+3ACN+2H"	125.094202
"1703166"	362.122985	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+NH4+CF3COOH"	132.026685
"1643191"	367.07838	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+Na+CF3COOH"	136.98208
"1574468"	383.05232	"C05570"	"Ergothioneine"	"C9H16N3O2S"	"230.0963"	"M+K+CF3COOH"	152.95602
"802161"	170.015	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M"	0
"979466"	150.99661	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-H2O-H"	-19.01839
"64427"	112.336057333333	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M-3H"	-3.021828
"507266"	169.007724	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M-3H"	-3.021828
"890539"	55.6643906666667	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-3H"	-3.021828
"10205"	169.007724	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M-2H"	-2.014552
"450861"	254.015224	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M-2H"	-2.014552
"827569"	84.000224	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-2H"	-2.014552
"89751"	339.022724	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M-H"	-1.007276
"527126"	509.037724	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M-H"	-1.007276
"901649"	169.007724	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-H"	-1.007276
"51648"	356.049271	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M-2H+NH4"	16.019271
"490117"	526.064271	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M-2H+NH4"	16.019271
"871200"	186.034271	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-2H+NH4"	16.019271
"42382"	361.004666	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M-2H+Na"	20.974666
"483038"	531.019666	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M-2H+Na"	20.974666
"862297"	190.989666	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-2H+Na"	20.974666
"1632563"	190.989666	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Na-2H"	20.974666
"106902"	186.996063	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M-H+Cl"	33.962126
"543182"	272.003563	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M-H+Cl"	33.962126
"938157"	101.988563	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-H+Cl"	33.962126
"270881"	374.999402	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+Cl"	34.969402
"667677"	545.014402	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+Cl"	34.969402
"1284819"	204.984402	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Cl"	34.969402
"21545"	376.978606	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M-2H+K"	36.948606
"468030"	546.993606	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M-2H+K"	36.948606
"839637"	206.963606	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-2H+K"	36.948606
"1563489"	206.963606	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+K-2H"	36.948606
"946267"	215.013194	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-H+HCOOH"	44.998194
"370680"	385.028201	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+HCOOH-H"	44.998201
"356386"	399.043851	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+Hac-H"	59.013851
"1504858"	229.028851	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Hac-H"	59.013851
"969482"	236.995151	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-H+NaCOOH"	66.980151
"116202"	204.984402	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+2Cl"	69.938804
"554670"	289.991902	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+2Cl"	69.938804
"1024926"	119.976902	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2Cl"	69.938804
"1248881"	248.933885	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Br"	78.918885
"1307683"	250.989872	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Cl+HCOOH"	80.974872
"1321654"	272.971829	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Cl+NaCOOH"	102.956829
"914415"	283.000586	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M-H+CF3COOH"	112.985586
"1296601"	318.977264	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Cl+CF3COOH"	148.962264
"1376583"	135.002324	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H-2H2O"	-35.012676
"1394080"	153.0123	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H-H2O"	-17.0027
"291944"	341.037276	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+H"	1.007276
"687283"	511.052276	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+H"	1.007276
"1358530"	171.022276	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H"	1.007276
"133604"	171.022276	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+2H"	2.014552
"573166"	256.029776	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+2H"	2.014552
"1047435"	86.014776	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2H"	2.014552
"214243"	114.350609333333	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+3H"	3.021828
"657082"	171.022276	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+3H"	3.021828
"1173023"	57.6789426666667	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+3H"	3.021828
"429735"	358.063823	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+NH4"	18.033823
"786354"	528.078823	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+NH4"	18.033823
"1681711"	188.048823	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+NH4"	18.033823
"333152"	179.5355495	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+H+NH4"	19.041099
"731040"	264.5430495	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+H+NH4"	19.041099
"1480488"	94.5280495	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H+NH4"	19.041099
"396979"	363.019218	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+Na"	22.989218
"762348"	533.034218	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+Na"	22.989218
"1610446"	193.004218	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Na"	22.989218
"319388"	182.013247	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+H+Na"	23.996494
"716187"	267.020747	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+H+Na"	23.996494
"1471101"	97.005747	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H+Na"	23.996494
"1064348"	65.0062566666667	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2H+Na"	25.00377
"1271370"	203.048486	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+CH3OH+H"	33.033486
"384602"	378.993158	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+K"	38.963158
"745596"	549.008158	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+K"	38.963158
"1546561"	208.978158	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+K"	38.963158
"308110"	190.000217	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+H+K"	39.970434
"700531"	275.007717	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+H+K"	39.970434
"1455445"	104.992717	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H+K"	39.970434
"244046"	382.063826	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+ACN+H"	42.033826
"1221130"	212.048826	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+ACN+H"	42.033826
"1208294"	106.528051	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+ACN+2H"	43.041102
"201171"	385.00116	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+2Na-H"	44.97116
"640364"	555.01616	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+2Na-H"	44.97116
"1143140"	214.98616	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2Na-H"	44.97116
"183878"	193.004218	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+2Na"	45.978436
"624897"	278.011718	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+2Na"	45.978436
"1127309"	107.996718	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2Na"	45.978436
"1408283"	72.3335706666667	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H+2Na"	46.985712
"1437481"	217.027746	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H+HCOOH"	47.012746
"230821"	198.03724	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+3H2O+2H"	56.04448
"1515238"	231.07979	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+IsoProp+H"	61.06479
"412738"	200.991188	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+Na+K"	61.952376
"777750"	285.998688	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+Na+K"	61.952376
"1671168"	115.983688	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Na+K"	61.952376
"254040"	404.045768	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+ACN+Na"	64.015768
"1229302"	234.030768	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+ACN+Na"	64.015768
"1719281"	234.054293	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+NH4+HCOOH"	64.039293
"1185727"	79.6608846666667	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+3Na"	68.967654
"1656715"	239.009688	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Na+HCOOH"	68.994688
"167949"	416.94904	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+2K-H"	76.91904
"599492"	586.96404	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+2K-H"	76.91904
"1089838"	246.93404	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2K-H"	76.91904
"149936"	208.978158	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"2M+2K"	77.926316
"588402"	293.985658	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"3M+2K"	77.926316
"1079475"	123.970658	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2K"	77.926316
"1106126"	248.948592	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2K+H"	78.933592
"1344696"	249.036207	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+DMSO+H"	79.021207
"1018693"	253.075376	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2ACN+H"	83.060376
"1531354"	254.069008	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+IsoProp+Na+H"	84.054008
"992331"	127.041326	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+2ACN+2H"	84.067652
"1591208"	254.983628	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+K+HCOOH"	84.968628
"1415773"	285.015138	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+H+CF3COOH"	115.000138
"1150073"	147.554601	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+3ACN+2H"	125.094202
"1703276"	302.041685	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+NH4+CF3COOH"	132.026685
"1643301"	306.99708	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+Na+CF3COOH"	136.98208
"1572390"	322.97102	"C05571"	"Thiourocanic acid"	"C6H6N2O2S"	"170.015"	"M+K+CF3COOH"	152.95602
"802028"	145.0375	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M"	0
"980669"	126.01911	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H2O-H"	-19.01839
"66723"	95.6843906666667	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-3H"	-3.021828
"512843"	144.030224	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-3H"	-3.021828
"885178"	47.3385573333333	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-3H"	-3.021828
"11410"	144.030224	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H"	-2.014552
"444407"	216.548974	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H"	-2.014552
"824397"	71.511474	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H"	-2.014552
"87671"	289.067724	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-H"	-1.007276
"529422"	434.105224	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-H"	-1.007276
"906131"	144.030224	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H"	-1.007276
"53942"	306.094271	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H+NH4"	16.019271
"493504"	451.131771	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H+NH4"	16.019271
"872401"	161.056771	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H+NH4"	16.019271
"41397"	311.049666	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H+Na"	20.974666
"479863"	456.087166	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H+Na"	20.974666
"862043"	166.012166	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H+Na"	20.974666
"1629387"	166.012166	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na-2H"	20.974666
"107741"	162.018563	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-H+Cl"	33.962126
"544386"	234.537313	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-H+Cl"	33.962126
"938996"	89.499813	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+Cl"	33.962126
"270991"	325.044402	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Cl"	34.969402
"669974"	470.081902	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+Cl"	34.969402
"1283470"	180.006902	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl"	34.969402
"23841"	327.023606	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M-2H+K"	36.948606
"466681"	472.061106	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M-2H+K"	36.948606
"840840"	181.986106	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-2H+K"	36.948606
"1566879"	181.986106	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K-2H"	36.948606
"947470"	190.035694	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+HCOOH"	44.998194
"369697"	335.073201	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+HCOOH-H"	44.998201
"356860"	349.088851	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Hac-H"	59.013851
"1505331"	204.051351	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Hac-H"	59.013851
"968863"	212.017651	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+NaCOOH"	66.980151
"120324"	180.006902	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2Cl"	69.938804
"555145"	252.525652	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2Cl"	69.938804
"1027589"	107.488152	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2Cl"	69.938804
"1247167"	223.956385	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Br"	78.918885
"1307429"	226.012372	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl+HCOOH"	80.974872
"1321279"	247.994329	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl+NaCOOH"	102.956829
"914890"	258.023086	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M-H+CF3COOH"	112.985586
"1295618"	293.999764	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Cl+CF3COOH"	148.962264
"1379244"	110.024824	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H-2H2O"	-35.012676
"1394553"	128.0348	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H-H2O"	-17.0027
"293149"	291.082276	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H"	1.007276
"686665"	436.119776	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H"	1.007276
"1359733"	146.044776	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H"	1.007276
"139181"	146.044776	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2H"	2.014552
"577651"	218.563526	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2H"	2.014552
"1050825"	73.526026	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2H"	2.014552
"209981"	97.6989426666667	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+3H"	3.021828
"651727"	146.044776	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+3H"	3.021828
"1172039"	49.3531093333333	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+3H"	3.021828
"433125"	308.108823	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+NH4"	18.033823
"787558"	453.146323	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+NH4"	18.033823
"1683525"	163.071323	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+NH4"	18.033823
"332897"	154.5580495	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H+NH4"	19.041099
"730059"	227.0767995	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H+NH4"	19.041099
"1481690"	82.0392995	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+NH4"	19.041099
"400373"	313.064218	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Na"	22.989218
"760271"	458.101718	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+Na"	22.989218
"1609465"	168.026718	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na"	22.989218
"321688"	157.035747	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H+Na"	23.996494
"713018"	229.554497	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H+Na"	23.996494
"1471211"	84.516997	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+Na"	23.996494
"1064458"	56.6804233333333	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2H+Na"	25.00377
"1269415"	178.070986	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+CH3OH+H"	33.033486
"383619"	329.038158	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+K"	38.963158
"742427"	474.075658	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+K"	38.963158
"1547763"	184.000658	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K"	38.963158
"306032"	165.022717	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+H+K"	39.970434
"698454"	237.541467	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+H+K"	39.970434
"1451181"	92.503967	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+K"	39.970434
"244156"	332.108826	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+ACN+H"	42.033826
"1220146"	187.071326	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+ACN+H"	42.033826
"1204030"	94.039301	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+ACN+2H"	43.041102
"203462"	335.04616	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2Na-H"	44.97116
"639744"	480.08366	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2Na-H"	44.97116
"1144343"	190.00866	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2Na-H"	44.97116
"185814"	168.026718	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2Na"	45.978436
"625369"	240.545468	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2Na"	45.978436
"1128876"	95.507968	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2Na"	45.978436
"1410578"	64.0077373333333	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+2Na"	46.985712
"1440506"	192.050246	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+HCOOH"	47.012746
"232023"	173.05974	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+3H2O+2H"	56.04448
"1514256"	206.10229	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+IsoProp+H"	61.06479
"411755"	176.013688	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+Na+K"	61.952376
"776767"	248.532438	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+Na+K"	61.952376
"1673463"	103.494938	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na+K"	61.952376
"258892"	354.090768	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+ACN+Na"	64.015768
"1234881"	209.053268	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+ACN+Na"	64.015768
"1721213"	209.076793	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+NH4+HCOOH"	64.039293
"1185837"	71.3350513333333	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+3Na"	68.967654
"1656825"	214.032188	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na+HCOOH"	68.994688
"170246"	366.99404	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2K-H"	76.91904
"601423"	512.03154	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2K-H"	76.91904
"1089948"	221.95654	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2K-H"	76.91904
"151139"	184.000658	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"2M+2K"	77.926316
"588512"	256.519408	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"3M+2K"	77.926316
"1079585"	111.481908	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2K"	77.926316
"1111703"	223.971092	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2K+H"	78.933592
"1344806"	224.058707	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+DMSO+H"	79.021207
"1018803"	228.097876	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2ACN+H"	83.060376
"1534744"	229.091508	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+IsoProp+Na+H"	84.054008
"992440"	114.552576	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+2ACN+2H"	84.067652
"1591318"	230.006128	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K+HCOOH"	84.968628
"1418070"	260.037638	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+H+CF3COOH"	115.000138
"1149454"	135.065851	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+3ACN+2H"	125.094202
"1703386"	277.064185	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+NH4+CF3COOH"	132.026685
"1643411"	282.01958	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+Na+CF3COOH"	136.98208
"1572500"	297.99352	"C05572"	"4-Oxoglutaramate;4-Ketoglutaramate"	"C5H7NO4"	"145.0375"	"M+K+CF3COOH"	152.95602
"803962"	147.0532	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M"	0
"977499"	128.03481	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"66833"	97.0281906666667	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"512953"	146.045924	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"884195"	48.0104573333333	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"7143"	146.045924	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"445609"	219.572524	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"822318"	72.519324	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"86687"	293.099124	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"525154"	440.152324	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"907331"	146.045924	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"54052"	310.125671	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"492519"	457.178871	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"871418"	163.072471	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"41507"	315.081066	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"479973"	462.134266	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"862882"	168.027866	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1629497"	168.027866	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"104935"	164.034263	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"543402"	237.560863	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"938011"	90.507663	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"275474"	329.075802	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"666803"	476.129002	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1281393"	182.022602	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"23951"	331.055006	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"462416"	478.108206	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"838398"	184.001806	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1568083"	184.001806	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"953779"	192.051394	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"365797"	339.104601	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"356970"	353.120251	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1505441"	206.067051	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"964231"	214.033351	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"118610"	182.022602	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"557443"	255.549202	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1030615"	108.496002	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1250192"	225.972085	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1307904"	228.028072	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1321388"	250.010029	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"914268"	260.038786	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1301194"	296.015464	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1377896"	112.040524	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1393570"	130.0505	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"294352"	295.113676	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"684587"	442.166876	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1360936"	148.060476	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"133824"	148.060476	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"577761"	221.587076	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1049843"	74.533876	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"212277"	99.0427426666667	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"651837"	148.060476	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1171058"	50.0250093333333	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"432142"	312.140223	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"789127"	459.193423	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1683635"	165.087023	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"332278"	156.5737495	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"731264"	230.1003495	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1482896"	83.0471495	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"400483"	317.095618	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"761475"	464.148818	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1609575"	170.042418	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"321798"	159.051447	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"715313"	232.578047	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1471321"	85.524847	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1064565"	57.3523233333333	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1268432"	180.086686	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"387011"	333.069558	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"742168"	480.122758	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1546780"	186.016358	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"305049"	167.038417	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"697472"	240.565017	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1448012"	93.511817	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"245361"	336.140226	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1222444"	189.087026	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1204140"	95.047151	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"202844"	339.07756	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"639854"	486.13076	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1144454"	192.02436	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"185197"	170.042418	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"623293"	243.569018	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1126800"	96.515818	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1409596"	64.6796373333333	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1440617"	194.065946	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"231041"	175.07544	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1517646"	208.11799	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"411500"	178.029388	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"779428"	251.555988	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1677584"	104.502788	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"261918"	358.122168	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1234992"	211.068968	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1725332"	211.092493	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1188499"	72.0069513333333	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1658028"	216.047888	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"164890"	371.02544	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"601534"	518.07864	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1090058"	223.97224	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"153437"	186.016358	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"588622"	259.542958	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1079695"	112.489758	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1111813"	225.986792	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1344916"	226.074407	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1018913"	230.113576	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1532667"	231.107208	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"992550"	115.560426	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1591427"	232.021828	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1420368"	262.053338	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1151749"	136.073701	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1703496"	279.079885	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1643521"	284.03528	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1572975"	300.00922	"C05574"	"3-Aminopentanedioate;Isoglutamate;Isoglutamic acid;3-Aminopentanedioic acid"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"804076"	198.1243	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M"	0
"977607"	179.10591	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-H2O-H"	-19.01839
"64756"	131.075590666667	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M-3H"	-3.021828
"510876"	197.117024	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M-3H"	-3.021828
"886491"	65.0341573333333	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-3H"	-3.021828
"11630"	197.117024	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M-2H"	-2.014552
"447910"	296.179174	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M-2H"	-2.014552
"826805"	98.054874	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-2H"	-2.014552
"83517"	395.241324	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M-H"	-1.007276
"524171"	593.365624	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M-H"	-1.007276
"901975"	197.117024	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-H"	-1.007276
"53070"	412.267871	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M-2H+NH4"	16.019271
"493723"	610.392171	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M-2H+NH4"	16.019271
"868248"	214.143571	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-2H+NH4"	16.019271
"37242"	417.223266	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M-2H+Na"	20.974666
"474614"	615.347566	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M-2H+Na"	20.974666
"863356"	219.098966	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-2H+Na"	20.974666
"1629607"	219.098966	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Na-2H"	20.974666
"105045"	215.105363	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M-H+Cl"	33.962126
"544606"	314.167513	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M-H+Cl"	33.962126
"939214"	116.043213	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-H+Cl"	33.962126
"276678"	431.218002	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+Cl"	34.969402
"669101"	629.342302	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+Cl"	34.969402
"1280411"	233.093702	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Cl"	34.969402
"20780"	433.197206	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M-2H+K"	36.948606
"463621"	631.321506	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M-2H+K"	36.948606
"842515"	235.072906	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-2H+K"	36.948606
"1564912"	235.072906	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+K-2H"	36.948606
"952796"	243.122494	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-H+HCOOH"	44.998194
"368823"	441.246801	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+HCOOH-H"	44.998201
"356716"	455.262451	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+Hac-H"	59.013851
"1502634"	257.138151	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Hac-H"	59.013851
"966894"	265.104451	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-H+NaCOOH"	66.980151
"121269"	233.093702	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+2Cl"	69.938804
"561561"	332.155852	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+2Cl"	69.938804
"1032910"	134.031552	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2Cl"	69.938804
"1252486"	277.043185	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Br"	78.918885
"1314938"	279.099172	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Cl+HCOOH"	80.974872
"1331341"	301.081129	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Cl+NaCOOH"	102.956829
"916934"	311.109886	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M-H+CF3COOH"	112.985586
"1301670"	347.086564	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Cl+CF3COOH"	148.962264
"1379464"	163.111624	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H-2H2O"	-35.012676
"1393316"	181.1216	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H-H2O"	-17.0027
"292275"	397.255876	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+H"	1.007276
"682508"	595.380176	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+H"	1.007276
"1363233"	199.131576	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H"	1.007276
"131747"	199.131576	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+2H"	2.014552
"579695"	298.193726	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+2H"	2.014552
"1052509"	100.069426	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2H"	2.014552
"213482"	133.090142666667	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+3H"	3.021828
"648667"	199.131576	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+3H"	3.021828
"1172260"	67.0487093333333	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+3H"	3.021828
"428971"	414.282423	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+NH4"	18.033823
"790331"	612.406723	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+NH4"	18.033823
"1683745"	216.158123	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+NH4"	18.033823
"334941"	207.6448495	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+H+NH4"	19.041099
"730281"	306.7069995	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+H+NH4"	19.041099
"1483370"	108.5826995	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H+NH4"	19.041099
"400590"	419.237818	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+Na"	22.989218
"759398"	617.362118	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+Na"	22.989218
"1609686"	221.113518	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Na"	22.989218
"320815"	210.122547	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+H+Na"	23.996494
"717247"	309.184697	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+H+Na"	23.996494
"1473254"	111.060397	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H+Na"	23.996494
"1063947"	74.3760233333333	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2H+Na"	25.00377
"1269272"	231.157786	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+CH3OH+H"	33.033486
"386028"	435.211758	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+K"	38.963158
"741554"	633.336058	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+K"	38.963158
"1547985"	237.087458	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+K"	38.963158
"302973"	218.109517	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+H+K"	39.970434
"698674"	317.171667	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+H+K"	39.970434
"1452495"	119.047367	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H+K"	39.970434
"244378"	438.282426	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+ACN+H"	42.033826
"1218181"	240.158126	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+ACN+H"	42.033826
"1203886"	120.582701	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+ACN+2H"	43.041102
"200400"	441.21976	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+2Na-H"	44.97116
"641784"	639.34406	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+2Na-H"	44.97116
"1142009"	243.09546	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2Na-H"	44.97116
"185668"	221.113518	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+2Na"	45.978436
"622309"	320.175668	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+2Na"	45.978436
"1126545"	122.051368	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2Na"	45.978436
"1407153"	81.7033373333333	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H+2Na"	46.985712
"1435623"	245.137046	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H+HCOOH"	47.012746
"226411"	226.14654	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+3H2O+2H"	56.04448
"1518850"	259.18909	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+IsoProp+H"	61.06479
"415256"	229.100488	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+Na+K"	61.952376
"782091"	328.162638	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+Na+K"	61.952376
"1680612"	130.038338	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Na+K"	61.952376
"262392"	460.264368	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+ACN+Na"	64.015768
"1236195"	262.140068	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+ACN+Na"	64.015768
"1724350"	262.163593	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+NH4+HCOOH"	64.039293
"1192620"	89.0306513333333	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+3Na"	68.967654
"1662514"	267.118988	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Na+HCOOH"	68.994688
"166093"	473.16764	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+2K-H"	76.91904
"603467"	671.29194	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+2K-H"	76.91904
"1091262"	275.04334	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2K-H"	76.91904
"151359"	237.087458	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"2M+2K"	77.926316
"592013"	336.149608	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"3M+2K"	77.926316
"1079806"	138.025308	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2K"	77.926316
"1111922"	277.057892	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2K+H"	78.933592
"1350373"	277.145507	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+DMSO+H"	79.021207
"1020117"	281.184676	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2ACN+H"	83.060376
"1536058"	282.178308	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+IsoProp+Na+H"	84.054008
"992297"	141.095976	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+2ACN+2H"	84.067652
"1591539"	283.092928	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+K+HCOOH"	84.968628
"1419385"	313.124438	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+H+CF3COOH"	115.000138
"1151859"	161.609251	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+3ACN+2H"	125.094202
"1704701"	330.150985	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+NH4+CF3COOH"	132.026685
"1640351"	335.10638	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+Na+CF3COOH"	136.98208
"1580378"	351.08032	"C05575"	"Hercynine;NalphaNalphaNalpha-Trimethyl-L-histidine"	"C9H16N3O2"	"198.1243"	"M+K+CF3COOH"	152.95602
"807466"	170.0579	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M"	0
"974800"	151.03951	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-H2O-H"	-19.01839
"67052"	112.364657333333	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M-3H"	-3.021828
"513171"	169.050624	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M-3H"	-3.021828
"885505"	55.6786906666667	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-3H"	-3.021828
"6267"	169.050624	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M-2H"	-2.014552
"446924"	254.079574	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M-2H"	-2.014552
"825819"	84.021674	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-2H"	-2.014552
"82533"	339.108524	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M-H"	-1.007276
"525372"	509.166424	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M-H"	-1.007276
"897711"	169.050624	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-H"	-1.007276
"47953"	356.135071	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M-2H+NH4"	16.019271
"492739"	526.192971	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M-2H+NH4"	16.019271
"866167"	186.077171	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-2H+NH4"	16.019271
"31551"	361.090466	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M-2H+Na"	20.974666
"474723"	531.148366	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M-2H+Na"	20.974666
"850340"	191.032566	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-2H+Na"	20.974666
"1629717"	191.032566	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Na-2H"	20.974666
"105153"	187.038963	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M-H+Cl"	33.962126
"544715"	272.067913	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M-H+Cl"	33.962126
"934950"	102.010013	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-H+Cl"	33.962126
"271320"	375.085202	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+Cl"	34.969402
"663012"	545.143102	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+Cl"	34.969402
"1275416"	205.027302	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Cl"	34.969402
"19795"	377.064406	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M-2H+K"	36.948606
"462636"	547.122306	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M-2H+K"	36.948606
"839344"	207.006506	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-2H+K"	36.948606
"1557364"	207.006506	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+K-2H"	36.948606
"943542"	215.056094	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-H+HCOOH"	44.998194
"363093"	385.114001	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+HCOOH-H"	44.998201
"349533"	399.129651	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+Hac-H"	59.013851
"1500555"	229.071751	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Hac-H"	59.013851
"963723"	237.038051	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-H+NaCOOH"	66.980151
"115910"	205.027302	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+2Cl"	69.938804
"559844"	290.056252	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+2Cl"	69.938804
"1028645"	119.998352	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2Cl"	69.938804
"1249316"	248.976785	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Br"	78.918885
"1312858"	251.032772	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Cl+HCOOH"	80.974872
"1329262"	273.014729	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Cl+NaCOOH"	102.956829
"920324"	283.043486	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M-H+CF3COOH"	112.985586
"1301781"	319.020164	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Cl+CF3COOH"	148.962264
"1381761"	135.045224	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H-2H2O"	-35.012676
"1394519"	153.0552	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H-H2O"	-17.0027
"297611"	341.123076	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+H"	1.007276
"688815"	511.180976	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+H"	1.007276
"1364073"	171.065176	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H"	1.007276
"131857"	171.065176	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+2H"	2.014552
"581026"	256.094126	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+2H"	2.014552
"1052500"	86.036226	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2H"	2.014552
"216873"	114.379209333333	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+3H"	3.021828
"648777"	171.065176	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+3H"	3.021828
"1171276"	57.6932426666667	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+3H"	3.021828
"429082"	358.149623	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+NH4"	18.033823
"792263"	528.207523	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+NH4"	18.033823
"1686043"	188.091723	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+NH4"	18.033823
"336145"	179.5784495	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+H+NH4"	19.041099
"731484"	264.6073995	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+H+NH4"	19.041099
"1484209"	94.5494995	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H+NH4"	19.041099
"398514"	363.105018	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+Na"	22.989218
"759508"	533.162918	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+Na"	22.989218
"1610889"	193.047118	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Na"	22.989218
"319831"	182.056147	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+H+Na"	23.996494
"717721"	267.085097	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+H+Na"	23.996494
"1467166"	97.027197	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H+Na"	23.996494
"1058224"	65.0205566666667	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2H+Na"	25.00377
"1266463"	203.091386	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+CH3OH+H"	33.033486
"381765"	379.078958	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+K"	38.963158
"740935"	549.136858	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+K"	38.963158
"1544815"	209.021058	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+K"	38.963158
"299111"	190.043117	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+H+K"	39.970434
"695504"	275.072067	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+H+K"	39.970434
"1450419"	105.014167	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H+K"	39.970434
"240115"	382.149626	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+ACN+H"	42.033826
"1217198"	212.091726	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+ACN+H"	42.033826
"1203267"	106.549501	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+ACN+2H"	43.041102
"195044"	385.08696	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+2Na-H"	44.97116
"638979"	555.14486	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+2Na-H"	44.97116
"1139204"	215.02906	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2Na-H"	44.97116
"182497"	193.047118	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+2Na"	45.978436
"618773"	278.076068	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+2Na"	45.978436
"1123373"	108.018168	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2Na"	45.978436
"1403617"	72.3478706666667	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H+2Na"	46.985712
"1434640"	217.070646	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H+HCOOH"	47.012746
"225428"	198.08014	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+3H2O+2H"	56.04448
"1513493"	231.12269	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+IsoProp+H"	61.06479
"409899"	201.034088	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+Na+K"	61.952376
"775270"	286.063038	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+Na+K"	61.952376
"1675978"	116.005138	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Na+K"	61.952376
"261409"	404.131568	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+ACN+Na"	64.015768
"1234119"	234.073668	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+ACN+Na"	64.015768
"1724824"	234.097193	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+NH4+HCOOH"	64.039293
"1192123"	79.6751846666667	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+3Na"	68.967654
"1662624"	239.052588	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Na+HCOOH"	68.994688
"161831"	417.03484	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+2K-H"	76.91904
"598475"	587.09274	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+2K-H"	76.91904
"1091372"	246.97694	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2K-H"	76.91904
"152564"	209.021058	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"2M+2K"	77.926316
"588843"	294.050008	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"3M+2K"	77.926316
"1079916"	123.992108	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2K"	77.926316
"1112032"	248.991492	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2K+H"	78.933592
"1348416"	249.079107	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+DMSO+H"	79.021207
"1015853"	253.118276	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2ACN+H"	83.060376
"1535075"	254.111908	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+IsoProp+Na+H"	84.054008
"992407"	127.062776	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+2ACN+2H"	84.067652
"1589098"	255.026528	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+K+HCOOH"	84.968628
"1418402"	285.058038	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+H+CF3COOH"	115.000138
"1149783"	147.576051	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+3ACN+2H"	125.094202
"1704811"	302.084585	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+NH4+CF3COOH"	132.026685
"1638274"	307.03998	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+Na+CF3COOH"	136.98208
"1580488"	323.01392	"C05576"	"34-Dihydroxyphenylethyleneglycol"	"C8H10O4"	"170.0579"	"M+K+CF3COOH"	152.95602
"813043"	168.0423	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M"	0
"978921"	149.02391	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"63638"	111.020924	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"514376"	167.035024	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"886711"	55.006824	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"6379"	167.035024	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"449221"	251.056174	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"825931"	83.013874	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"83735"	335.077324	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"523295"	503.119624	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"896237"	167.035024	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"48545"	352.103871	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"489567"	520.146171	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"866276"	184.061571	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"31990"	357.059266	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"472644"	525.101566	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"850450"	189.016966	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1630192"	189.016966	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"107450"	185.023363	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"544824"	269.044513	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"936883"	101.002213	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"270337"	371.054002	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"664216"	539.096302	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1277349"	203.011702	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"23185"	373.033206	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"461654"	541.075506	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"840547"	204.990906	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1557472"	204.990906	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"943894"	213.040494	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"363204"	381.082801	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"348914"	395.098451	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1500665"	227.056151	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"963833"	235.022451	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"116020"	203.011702	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"556674"	287.032852	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1028755"	118.990552	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1249426"	246.961185	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1312968"	249.017172	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1329372"	270.999129	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"919340"	281.027886	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1301162"	317.004564	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1381147"	133.029624	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1396086"	151.0396	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"297236"	337.091876	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"690020"	505.134176	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1365277"	169.049576	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"138528"	169.049576	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"580891"	253.070726	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1052245"	85.028426	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"215888"	113.035476	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"649980"	169.049576	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1171386"	57.021376	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"432472"	354.118423	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"794560"	522.160723	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1683966"	186.076123	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"335162"	177.5628495	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"730865"	261.5839995	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1486506"	93.5416995	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"400810"	359.073818	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"759618"	527.116118	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1612092"	191.031518	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"319941"	180.040547	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"717830"	264.061697	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1467276"	96.019397	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1060520"	64.34869	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1265480"	201.075786	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"382970"	375.047758	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"745056"	543.090058	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1546019"	207.005458	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"303194"	188.027517	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"697802"	272.048667	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1451623"	104.006367	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"243505"	378.118426	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1217308"	210.076126	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1206657"	105.541701	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"196247"	381.05576	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"639090"	549.09806	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1142234"	213.01346	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"183701"	191.031518	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"622165"	275.052668	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1124576"	107.010368	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1408101"	71.676004	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1438030"	215.055046	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"231005"	196.06454	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1512510"	229.10709	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"409157"	199.018488	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"772101"	283.039638	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1676088"	114.997338	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"260426"	400.100368	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1237509"	232.058068	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1720926"	232.081593	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1186279"	79.003318	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1658360"	237.036988	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"165223"	413.00364	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"605877"	581.04594	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1098043"	244.96134	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"154860"	207.005458	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"596486"	291.026608	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1080026"	122.984308	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1108862"	246.975892	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1345245"	247.063507	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1012682"	251.102676	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1535184"	252.096308	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"991058"	126.054976	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1587301"	253.010928	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1421793"	283.042438	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1148436"	146.568251	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1701641"	300.068985	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1638384"	305.02438	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1580598"	320.99832	"C05577"	"34-Dihydroxymandelaldehyde;34-Dihydroxyphenylglycolaldehyde"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"810966"	149.0477	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M"	0
"977938"	130.02931	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-H2O-H"	-19.01839
"65088"	98.3578573333333	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M-3H"	-3.021828
"511208"	148.040424	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M-3H"	-3.021828
"887916"	48.6752906666667	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-3H"	-3.021828
"9771"	148.040424	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M-2H"	-2.014552
"452613"	222.564274	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M-2H"	-2.014552
"829321"	73.516574	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-2H"	-2.014552
"84938"	297.088124	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M-H"	-1.007276
"524498"	446.135824	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M-H"	-1.007276
"896105"	148.040424	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-H"	-1.007276
"48294"	314.114671	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M-2H+NH4"	16.019271
"489678"	463.162371	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M-2H+NH4"	16.019271
"865290"	165.066971	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-2H+NH4"	16.019271
"32704"	319.070066	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M-2H+Na"	20.974666
"472875"	468.117766	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M-2H+Na"	20.974666
"849139"	170.022366	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-2H+Na"	20.974666
"1620333"	170.022366	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Na-2H"	20.974666
"103189"	166.028763	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M-H+Cl"	33.962126
"546758"	240.552613	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M-H+Cl"	33.962126
"936264"	91.504913	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-H+Cl"	33.962126
"273729"	333.064802	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+Cl"	34.969402
"666150"	482.112502	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+Cl"	34.969402
"1280740"	184.017102	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Cl"	34.969402
"24026"	335.044006	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M-2H+K"	36.948606
"462858"	484.091706	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M-2H+K"	36.948606
"840658"	185.996306	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-2H+K"	36.948606
"1558678"	185.996306	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+K-2H"	36.948606
"946198"	194.045894	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-H+HCOOH"	44.998194
"363679"	343.093601	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+HCOOH-H"	44.998201
"347203"	357.109251	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+Hac-H"	59.013851
"1495672"	208.061551	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Hac-H"	59.013851
"961391"	216.027851	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-H+NaCOOH"	66.980151
"118319"	184.017102	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+2Cl"	69.938804
"561160"	258.540952	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+2Cl"	69.938804
"1023760"	109.493252	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2Cl"	69.938804
"1249536"	227.966585	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Br"	78.918885
"1309800"	230.022572	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Cl+HCOOH"	80.974872
"1329481"	252.004529	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Cl+NaCOOH"	102.956829
"915073"	262.033286	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M-H+CF3COOH"	112.985586
"1295069"	298.009964	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Cl+CF3COOH"	148.962264
"1381621"	114.035024	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H-2H2O"	-35.012676
"1396196"	132.045	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H-H2O"	-17.0027
"298319"	299.102676	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+H"	1.007276
"690133"	448.150376	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+H"	1.007276
"1365387"	150.054976	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H"	1.007276
"138640"	150.054976	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+2H"	2.014552
"580518"	224.578826	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+2H"	2.014552
"1049189"	75.531126	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2H"	2.014552
"212717"	100.372409333333	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+3H"	3.021828
"650094"	150.054976	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+3H"	3.021828
"1171497"	50.6898426666667	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+3H"	3.021828
"429302"	316.129223	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+NH4"	18.033823
"789935"	465.176923	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+NH4"	18.033823
"1687725"	167.081523	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+NH4"	18.033823
"338189"	158.5682495	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+H+NH4"	19.041099
"729515"	233.0920995	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+H+NH4"	19.041099
"1484428"	84.0443995	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H+NH4"	19.041099
"402016"	321.084618	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+Na"	22.989218
"765200"	470.132318	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+Na"	22.989218
"1612205"	172.036918	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Na"	22.989218
"326250"	161.045947	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+H+Na"	23.996494
"721223"	235.569797	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+H+Na"	23.996494
"1472854"	86.522097	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H+Na"	23.996494
"1065006"	58.0171566666667	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2H+Na"	25.00377
"1264500"	182.081186	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+CH3OH+H"	33.033486
"381987"	337.058558	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+K"	38.963158
"742982"	486.106258	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+K"	38.963158
"1541024"	188.010858	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+K"	38.963158
"303304"	169.032917	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+H+K"	39.970434
"699006"	243.556767	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+H+K"	39.970434
"1450640"	94.509067	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H+K"	39.970434
"240337"	340.129226	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+ACN+H"	42.033826
"1216327"	191.081526	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+ACN+H"	42.033826
"1203489"	96.044401	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+ACN+2H"	43.041102
"199640"	343.06656	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+2Na-H"	44.97116
"638107"	492.11426	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+2Na-H"	44.97116
"1141980"	194.01886	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2Na-H"	44.97116
"185635"	172.036918	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+2Na"	45.978436
"620091"	246.560768	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+2Na"	45.978436
"1124687"	97.513068	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2Na"	45.978436
"1406026"	65.3444706666667	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H+2Na"	46.985712
"1432673"	196.060446	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H+HCOOH"	47.012746
"221396"	177.06994	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+3H2O+2H"	56.04448
"1508970"	210.11249	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+IsoProp+H"	61.06479
"410121"	180.023888	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+Na+K"	61.952376
"781689"	254.547738	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+Na+K"	61.952376
"1680211"	105.500038	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Na+K"	61.952376
"263815"	362.111168	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+ACN+Na"	64.015768
"1237253"	213.063468	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+ACN+Na"	64.015768
"1723224"	213.086993	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+NH4+HCOOH"	64.039293
"1190400"	72.6717846666667	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+3Na"	68.967654
"1657379"	218.042388	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Na+HCOOH"	68.994688
"165332"	375.01444	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+2K-H"	76.91904
"605986"	524.06214	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+2K-H"	76.91904
"1091593"	225.96674	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2K-H"	76.91904
"156067"	188.010858	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"2M+2K"	77.926316
"593438"	262.534708	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"3M+2K"	77.926316
"1082323"	113.487008	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2K"	77.926316
"1112253"	227.981292	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2K+H"	78.933592
"1345356"	228.068907	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+DMSO+H"	79.021207
"1009512"	232.108076	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2ACN+H"	83.060376
"1537481"	233.101708	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+IsoProp+Na+H"	84.054008
"995179"	116.557676	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+2ACN+2H"	84.067652
"1596242"	234.016328	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+K+HCOOH"	84.968628
"1420809"	264.047838	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+H+CF3COOH"	115.000138
"1148912"	137.070951	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+3ACN+2H"	125.094202
"1703937"	281.074385	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+NH4+CF3COOH"	132.026685
"1635214"	286.02978	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+Na+CF3COOH"	136.98208
"1571509"	302.00372	"C05578"	"56-Dihydroxyindole;DHI"	"C8H7NO2"	"149.0477"	"M+K+CF3COOH"	152.95602
"811076"	147.032	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M"	0
"981329"	128.01361	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-H2O-H"	-19.01839
"67384"	97.0140573333333	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M-3H"	-3.021828
"511319"	146.024724	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M-3H"	-3.021828
"890211"	48.0033906666667	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-3H"	-3.021828
"12068"	146.024724	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M-2H"	-2.014552
"452723"	219.540724	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M-2H"	-2.014552
"828339"	72.508724	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-2H"	-2.014552
"90518"	293.056724	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M-H"	-1.007276
"528984"	440.088724	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M-H"	-1.007276
"899134"	146.024724	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-H"	-1.007276
"52414"	310.083271	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M-2H+NH4"	16.019271
"494160"	457.115271	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M-2H+NH4"	16.019271
"868683"	163.051271	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-2H+NH4"	16.019271
"34760"	315.038666	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M-2H+Na"	20.974666
"472621"	462.070666	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M-2H+Na"	20.974666
"851033"	168.006666	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-2H+Na"	20.974666
"1623481"	168.006666	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Na-2H"	20.974666
"103299"	164.013063	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M-H+Cl"	33.962126
"545046"	237.529063	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M-H+Cl"	33.962126
"933094"	90.497063	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-H+Cl"	33.962126
"272746"	329.033402	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+Cl"	34.969402
"666260"	476.065402	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+Cl"	34.969402
"1278664"	182.001402	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Cl"	34.969402
"22312"	331.012606	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M-2H+K"	36.948606
"465154"	478.044606	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M-2H+K"	36.948606
"838582"	183.980606	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-2H+K"	36.948606
"1560975"	183.980606	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+K-2H"	36.948606
"946308"	192.030194	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-H+HCOOH"	44.998194
"365247"	339.062201	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+HCOOH-H"	44.998201
"348769"	353.077851	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+Hac-H"	59.013851
"1497970"	206.045851	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Hac-H"	59.013851
"964417"	214.012151	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-H+NaCOOH"	66.980151
"117336"	182.001402	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+2Cl"	69.938804
"560177"	255.517402	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+2Cl"	69.938804
"1028974"	108.485402	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2Cl"	69.938804
"1251833"	225.950885	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Br"	78.918885
"1311003"	228.006872	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Cl+HCOOH"	80.974872
"1329591"	249.988829	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Cl+NaCOOH"	102.956829
"916276"	260.017586	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M-H+CF3COOH"	112.985586
"1295179"	295.994264	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Cl+CF3COOH"	148.962264
"1380634"	112.019324	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H-2H2O"	-35.012676
"1395213"	130.0293	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H-H2O"	-17.0027
"297820"	295.071276	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+H"	1.007276
"691181"	442.103276	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+H"	1.007276
"1362582"	148.039276	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H"	1.007276
"140452"	148.039276	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+2H"	2.014552
"580502"	221.555276	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+2H"	2.014552
"1048208"	74.523276	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2H"	2.014552
"208455"	99.0286093333333	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+3H"	3.021828
"649111"	148.039276	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+3H"	3.021828
"1166142"	50.0179426666667	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+3H"	3.021828
"427226"	312.097823	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+NH4"	18.033823
"787859"	459.129823	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+NH4"	18.033823
"1687835"	165.065823	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+NH4"	18.033823
"337206"	156.5525495	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+H+NH4"	19.041099
"729625"	230.0685495	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+H+NH4"	19.041099
"1484538"	83.0365495	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H+NH4"	19.041099
"402125"	317.053218	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+Na"	22.989218
"765309"	464.085218	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+Na"	22.989218
"1610128"	170.021218	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Na"	22.989218
"324538"	159.030247	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+H+Na"	23.996494
"719146"	232.546247	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+H+Na"	23.996494
"1472964"	85.514247	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H+Na"	23.996494
"1062929"	57.3452566666667	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2H+Na"	25.00377
"1264610"	180.065486	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+CH3OH+H"	33.033486
"382096"	333.027158	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+K"	38.963158
"743092"	480.059158	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+K"	38.963158
"1540767"	185.995158	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+K"	38.963158
"302320"	167.017217	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+H+K"	39.970434
"696929"	240.533217	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+H+K"	39.970434
"1450750"	93.501217	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H+K"	39.970434
"241542"	336.097826	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+ACN+H"	42.033826
"1214251"	189.065826	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+ACN+H"	42.033826
"1205423"	95.036551	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+ACN+2H"	43.041102
"197563"	339.03516	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+2Na-H"	44.97116
"641499"	486.06716	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+2Na-H"	44.97116
"1144277"	192.00316	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2Na-H"	44.97116
"184651"	170.021218	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+2Na"	45.978436
"624573"	243.537218	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+2Na"	45.978436
"1126987"	96.505218	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2Na"	45.978436
"1411603"	64.6725706666667	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H+2Na"	46.985712
"1438251"	194.044746	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H+HCOOH"	47.012746
"226854"	175.05424	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+3H2O+2H"	56.04448
"1510541"	208.09679	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+IsoProp+H"	61.06479
"410595"	178.008188	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+Na+K"	61.952376
"782163"	251.524188	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+Na+K"	61.952376
"1679956"	104.492188	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Na+K"	61.952376
"260646"	358.079768	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+ACN+Na"	64.015768
"1235541"	211.047768	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+ACN+Na"	64.015768
"1723334"	211.071293	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+NH4+HCOOH"	64.039293
"1189782"	71.9998846666667	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+3Na"	68.967654
"1657489"	216.026688	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Na+HCOOH"	68.994688
"164349"	370.98304	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+2K-H"	76.91904
"603910"	518.01504	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+2K-H"	76.91904
"1099115"	223.95104	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2K-H"	76.91904
"155570"	185.995158	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"2M+2K"	77.926316
"595734"	259.511158	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"3M+2K"	77.926316
"1083163"	112.479158	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2K"	77.926316
"1112362"	225.965592	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2K+H"	78.933592
"1342186"	226.053207	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+DMSO+H"	79.021207
"1009985"	230.092376	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2ACN+H"	83.060376
"1538562"	231.086008	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+IsoProp+Na+H"	84.054008
"998569"	115.549826	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+2ACN+2H"	84.067652
"1596353"	232.000628	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+K+HCOOH"	84.968628
"1417638"	262.032138	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+H+CF3COOH"	115.000138
"1149384"	136.063101	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+3ACN+2H"	125.094202
"1700766"	279.058685	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+NH4+CF3COOH"	132.026685
"1640792"	284.01408	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+Na+CF3COOH"	136.98208
"1574254"	299.98802	"C05579"	"Indole-56-quinone"	"C8H5NO2"	"147.032"	"M+K+CF3COOH"	152.95602
"816289"	184.0372	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M"	0
"986907"	165.01881	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-H2O-H"	-19.01839
"76243"	121.684190666667	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M-3H"	-3.021828
"517990"	183.029924	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M-3H"	-3.021828
"894697"	60.3384573333333	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-3H"	-3.021828
"15656"	183.029924	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M-2H"	-2.014552
"453933"	275.048524	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M-2H"	-2.014552
"832096"	91.011324	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-2H"	-2.014552
"92815"	367.067124	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M-H"	-1.007276
"531281"	551.104324	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M-H"	-1.007276
"903616"	183.029924	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-H"	-1.007276
"54712"	384.093671	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M-2H+NH4"	16.019271
"495364"	568.130871	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M-2H+NH4"	16.019271
"867701"	200.056471	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-2H+NH4"	16.019271
"36692"	389.049066	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M-2H+Na"	20.974666
"476256"	573.086266	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M-2H+Na"	20.974666
"859528"	205.011866	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-2H+Na"	20.974666
"1623593"	205.011866	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Na-2H"	20.974666
"107786"	201.018263	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M-H+Cl"	33.962126
"549214"	293.036863	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M-H+Cl"	33.962126
"939038"	108.999663	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-H+Cl"	33.962126
"277960"	403.043802	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+Cl"	34.969402
"670380"	587.081002	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+Cl"	34.969402
"1280962"	219.006602	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Cl"	34.969402
"25702"	405.023006	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M-2H+K"	36.948606
"465267"	589.060206	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M-2H+K"	36.948606
"840880"	220.985806	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-2H+K"	36.948606
"1566554"	220.985806	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+K-2H"	36.948606
"946418"	229.035394	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-H+HCOOH"	44.998194
"366088"	413.072601	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+HCOOH-H"	44.998201
"350702"	427.088251	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+Hac-H"	59.013851
"1500996"	243.051051	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Hac-H"	59.013851
"966349"	251.017351	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-H+NaCOOH"	66.980151
"122913"	219.006602	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+2Cl"	69.938804
"560289"	311.025202	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+2Cl"	69.938804
"1032367"	126.988002	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2Cl"	69.938804
"1252674"	262.956085	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Br"	78.918885
"1317310"	265.012072	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Cl+HCOOH"	80.974872
"1332618"	286.994029	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Cl+NaCOOH"	102.956829
"921853"	297.022786	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M-H+CF3COOH"	112.985586
"1296382"	332.999464	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Cl+CF3COOH"	148.962264
"1377825"	149.024524	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H-2H2O"	-35.012676
"1396417"	167.0345	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H-H2O"	-17.0027
"295016"	369.081676	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+H"	1.007276
"689624"	553.118876	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+H"	1.007276
"1362693"	185.044476	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H"	1.007276
"139957"	185.044476	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+2H"	2.014552
"578424"	277.063076	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+2H"	2.014552
"1048317"	93.025876	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2H"	2.014552
"210753"	123.698742666667	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+3H"	3.021828
"651408"	185.044476	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+3H"	3.021828
"1169533"	62.3530093333333	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+3H"	3.021828
"429890"	386.108223	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+NH4"	18.033823
"788333"	570.145423	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+NH4"	18.033823
"1683205"	202.071023	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+NH4"	18.033823
"336224"	193.5577495	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+H+NH4"	19.041099
"730831"	285.5763495	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+H+NH4"	19.041099
"1486837"	101.5391495	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H+NH4"	19.041099
"401145"	391.063618	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+Na"	22.989218
"758859"	575.100818	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+Na"	22.989218
"1606956"	207.026418	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Na"	22.989218
"325743"	196.035447	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+H+Na"	23.996494
"715978"	288.054047	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+H+Na"	23.996494
"1470890"	104.016847	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H+Na"	23.996494
"1063041"	69.6803233333333	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2H+Na"	25.00377
"1265815"	217.070686	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+CH3OH+H"	33.033486
"388763"	407.037558	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+K"	38.963158
"743201"	591.074758	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+K"	38.963158
"1540388"	223.000358	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+K"	38.963158
"301337"	204.022417	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+H+K"	39.970434
"694852"	296.041017	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+H+K"	39.970434
"1450860"	112.003817	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H+K"	39.970434
"238371"	410.108226	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+ACN+H"	42.033826
"1213267"	226.071026	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+ACN+H"	42.033826
"1204804"	113.539151	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+ACN+2H"	43.041102
"200591"	413.04556	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+2Na-H"	44.97116
"642705"	597.08276	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+2Na-H"	44.97116
"1146573"	229.00836	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2Na-H"	44.97116
"187677"	207.026418	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+2Na"	45.978436
"625779"	299.045018	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+2Na"	45.978436
"1131107"	115.007818	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2Na"	45.978436
"1409525"	77.0076373333333	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H+2Na"	46.985712
"1438361"	231.049946	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H+HCOOH"	47.012746
"222956"	212.05944	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+3H2O+2H"	56.04448
"1515025"	245.10199	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+IsoProp+H"	61.06479
"409733"	215.013388	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+Na+K"	61.952376
"778994"	307.031988	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+Na+K"	61.952376
"1680435"	122.994788	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Na+K"	61.952376
"258570"	432.090168	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+ACN+Na"	64.015768
"1233465"	248.052968	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+ACN+Na"	64.015768
"1721259"	248.076493	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+NH4+HCOOH"	64.039293
"1189893"	84.3349513333333	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+3Na"	68.967654
"1657599"	253.031888	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Na+HCOOH"	68.994688
"169928"	444.99344	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+2K-H"	76.91904
"608394"	629.03064	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+2K-H"	76.91904
"1098863"	260.95624	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2K-H"	76.91904
"156530"	223.000358	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"2M+2K"	77.926316
"595603"	315.018958	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"3M+2K"	77.926316
"1082544"	130.981758	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2K"	77.926316
"1112472"	262.970792	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2K+H"	78.933592
"1343389"	263.058407	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+DMSO+H"	79.021207
"1015199"	267.097576	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2ACN+H"	83.060376
"1537223"	268.091208	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+IsoProp+Na+H"	84.054008
"998679"	134.052426	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+2ACN+2H"	84.067652
"1594277"	269.005828	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+K+HCOOH"	84.968628
"1417748"	299.037338	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+H+CF3COOH"	115.000138
"1149131"	154.565701	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+3ACN+2H"	125.094202
"1700876"	316.063885	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+NH4+CF3COOH"	132.026685
"1640902"	321.01928	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+Na+CF3COOH"	136.98208
"1574364"	336.99322	"C05580"	"34-Dihydroxymandelate;34-Dihydroxymandelic acid;Dihydroxymandelic acid"	"C8H8O5"	"184.0372"	"M+K+CF3COOH"	152.95602
"814577"	166.063	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M"	0
"984829"	147.04461	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"76351"	109.701390666667	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"517006"	165.055724	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"891526"	54.3470573333333	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"14354"	165.055724	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"454045"	248.087224	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"830387"	82.024224	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"92198"	331.118724	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"531391"	497.181724	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"903727"	165.055724	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"54821"	348.145271	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"494381"	514.208271	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"876558"	182.082271	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"35710"	353.100666	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"473086"	519.163666	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"856358"	187.037666	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1626983"	187.037666	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"108261"	183.044063	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"549770"	266.075563	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"938785"	100.012563	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"279163"	367.095402	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"670490"	533.158402	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1282894"	201.032402	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"24719"	369.074606	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"467200"	535.137606	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"840990"	203.011606	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1564477"	203.011606	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"947256"	211.061194	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"365832"	377.124201	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"348258"	391.139851	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1504023"	225.076851	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"968646"	233.043151	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"123389"	201.032402	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"563316"	284.063902	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1032112"	118.000902	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1253513"	244.981885	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1317056"	247.037872	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1329812"	269.019829	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"916496"	279.048586	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1297586"	315.025264	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1376842"	131.050324	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1397256"	149.0603	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"296213"	333.133276	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"691360"	499.196276	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1362803"	167.070276	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H"	1.007276
"141399"	167.070276	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"581193"	250.101776	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1052715"	84.038776	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"217423"	111.715942666667	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"656986"	167.070276	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1172924"	56.3616093333333	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"431823"	350.159823	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"790265"	516.222823	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1691336"	184.096823	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"343990"	175.5835495	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"738480"	258.6150495	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1489135"	92.5520495	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"404536"	355.115218	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"765530"	521.178218	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1612534"	189.052218	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"326944"	178.061247	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"720099"	261.092747	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1476711"	95.029747	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1065339"	63.6889233333333	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1269206"	199.096486	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"387780"	371.089158	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"743311"	537.152158	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1540301"	205.026158	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+K"	38.963158
"304728"	186.048217	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"694963"	269.079717	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1453158"	103.016717	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"239574"	374.159826	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1221395"	208.096826	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1208561"	104.552051	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"203498"	377.09716	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"642334"	543.16016	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1146992"	211.03416	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"188549"	189.052218	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"627717"	272.083718	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1130250"	106.020718	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1412555"	71.0162373333333	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1444670"	213.075746	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"232544"	194.08524	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1519510"	227.12779	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"415918"	197.039188	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"783843"	280.070688	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1680868"	114.007688	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"266333"	396.141768	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1240824"	230.078768	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1727563"	230.102293	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1193284"	78.3435513333333	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1664270"	235.057688	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"170038"	409.04504	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"608504"	575.10804	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1098491"	242.98204	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"156884"	205.026158	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"596686"	288.057658	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1083506"	121.994658	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1115257"	244.996592	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1345686"	245.084207	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1016402"	249.123376	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1537090"	250.117008	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"1000976"	125.065326	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1599854"	251.031628	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1417858"	281.063138	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1155802"	145.578601	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1700986"	298.089685	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1641012"	303.04508	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1574474"	319.01902	"C05581"	"3-Methoxy-4-hydroxyphenylacetaldehyde;(4-Hydroxy-3-methoxyphenyl)acetaldehyde;Homovanillin"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"812502"	182.0579	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M"	0
"982754"	163.03951	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"74274"	120.364657333333	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"516019"	181.050624	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"890544"	59.6786906666667	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"9122"	181.050624	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"451601"	272.079574	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"828672"	90.021674	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"89754"	363.108524	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"530775"	545.166424	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"902744"	181.050624	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"51651"	380.135071	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"493398"	562.192971	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"873387"	198.077171	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"31932"	385.090466	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"476476"	567.148366	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"856468"	203.032566	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1623814"	203.032566	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"107274"	199.038963	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"546835"	290.067913	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"933425"	108.010013	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"277084"	399.085202	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"667683"	581.143102	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1282274"	217.027302	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"24832"	401.064406	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"467675"	583.122306	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"840008"	219.006506	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1561309"	219.006506	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"947003"	227.056094	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"363393"	409.114001	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"350923"	423.129651	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1501218"	241.071751	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"967663"	249.038051	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"123501"	217.027302	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"561236"	308.056252	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1034047"	125.998352	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1252166"	260.976785	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1313519"	263.032772	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1327734"	285.014729	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"915879"	295.043486	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1303170"	331.020164	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1373672"	147.045224	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1396637"	165.0552	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"295229"	365.123076	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"690575"	547.180976	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1365101"	183.065176	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"139085"	183.065176	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"580713"	274.094126	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1048540"	92.036226	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"214254"	122.379209333333	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"649441"	183.065176	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1169025"	61.6932426666667	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"426828"	382.149623	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"788553"	564.207523	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1690352"	200.091723	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"339723"	191.5784495	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"732145"	282.6073995	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1485963"	100.5494995	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"401362"	387.105018	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"761268"	569.162918	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1612645"	205.047118	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"325962"	194.056147	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"719115"	285.085097	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1474391"	103.027197	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1066180"	69.0205566666667	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1268223"	215.091386	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"387890"	403.078958	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"742327"	585.136858	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1543287"	221.021058	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"304839"	202.043117	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"697260"	293.072067	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1456549"	111.014167	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"242964"	406.149626	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1222964"	224.091726	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1207211"	112.549501	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"201907"	409.08696	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"642565"	591.14486	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1145338"	227.02906	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"187293"	205.047118	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"627910"	296.076068	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1129507"	114.018168	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1410115"	76.3478706666667	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1444053"	229.070646	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"233383"	210.08014	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1519258"	243.12269	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"422596"	213.034088	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"783591"	304.063038	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1679559"	122.005138	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"266078"	428.131568	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1240248"	246.073668	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1728285"	246.097193	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1193884"	83.6751846666667	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1663287"	251.052588	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"171245"	441.03484	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"610443"	623.09274	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1096408"	258.97694	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"155052"	221.021058	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"595581"	312.050008	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1081671"	129.992108	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1111599"	260.991492	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1345797"	261.079107	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1018701"	265.118276	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1535734"	266.111908	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"998898"	133.062776	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1598869"	267.026528	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1417968"	297.058038	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1158099"	153.576051	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1697445"	314.084585	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1638935"	319.03998	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1581148"	335.01392	"C05582"	"Homovanillate;Homovanillic acid;3-Methoxy-4-hydroxyphenylacetate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"815651"	182.0579	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M"	0
"988212"	163.03951	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"75483"	120.364657333333	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"515042"	181.050624	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"893937"	59.6786906666667	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"12512"	181.050624	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"452075"	272.079574	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"830243"	90.021674	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"90230"	363.108524	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"531249"	545.166424	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"907957"	181.050624	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"57229"	380.135071	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"494602"	562.192971	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"877389"	198.077171	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"38119"	385.090466	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"478773"	567.148366	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"858766"	203.032566	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1627205"	203.032566	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"109091"	199.038963	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"548407"	290.067913	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"940828"	108.010013	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"280356"	399.085202	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"672171"	581.143102	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1286275"	217.027302	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"26037"	401.064406	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"464505"	583.122306	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"840120"	219.006506	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1569804"	219.006506	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"954770"	227.056094	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"369704"	409.114001	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"354681"	423.129651	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1506920"	241.071751	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"971788"	249.038051	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"120697"	217.027302	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"560623"	308.056252	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1030513"	125.998352	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1253371"	260.976785	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1315819"	263.032772	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1330036"	285.014729	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"922185"	295.043486	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1297807"	331.020164	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1380222"	147.045224	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1398209"	165.0552	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"297978"	365.123076	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"690320"	547.180976	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1364848"	183.065176	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"139196"	183.065176	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"575476"	274.094126	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1044276"	92.036226	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"209991"	122.379209333333	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"652832"	183.065176	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1167677"	61.6932426666667	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"426210"	382.149623	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"789393"	564.207523	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1690462"	200.091723	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"339834"	191.5784495	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"735535"	282.6073995	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1486074"	100.5494995	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"404753"	387.105018	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"764658"	569.162918	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1612755"	205.047118	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"324979"	194.056147	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"718493"	285.085097	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1473409"	103.027197	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1066652"	69.0205566666667	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1268332"	215.091386	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"384720"	403.078958	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"744627"	585.136858	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1542304"	221.021058	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"303856"	202.043117	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"702840"	293.072067	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1458120"	111.014167	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"244172"	406.149626	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1220160"	224.091726	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1207324"	112.549501	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"201289"	409.08696	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"643406"	591.14486	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1145694"	227.02906	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"187526"	205.047118	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"628303"	296.076068	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1131078"	114.018168	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1411318"	76.3478706666667	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1444528"	229.070646	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"235400"	210.08014	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1523908"	243.12269	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"423800"	213.034088	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"785164"	304.063038	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1680397"	122.005138	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"266558"	428.131568	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1240362"	246.073668	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1725970"	246.097193	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1191689"	83.6751846666667	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1660487"	251.052588	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"169175"	441.03484	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"609100"	623.09274	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1096163"	258.97694	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"152978"	221.021058	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"591078"	312.050008	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1078875"	129.992108	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1111719"	260.991492	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1347009"	261.079107	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1019549"	265.118276	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1536216"	266.111908	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"1005332"	133.062776	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1600077"	267.026528	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1428653"	297.058038	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1161491"	153.576051	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1705581"	314.084585	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1635398"	319.03998	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1581258"	335.01392	"C05583"	"3-Methoxy-4-hydroxyphenylglycolaldehyde"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"802388"	198.0528	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M"	0
"989511"	179.03441	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-H2O-H"	-19.01839
"76684"	131.027924	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M-3H"	-3.021828
"518064"	197.045524	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M-3H"	-3.021828
"894412"	65.010324	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-3H"	-3.021828
"15662"	197.045524	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M-2H"	-2.014552
"454375"	296.071924	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M-2H"	-2.014552
"830713"	98.019124	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-2H"	-2.014552
"91068"	395.098324	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M-H"	-1.007276
"527349"	593.151124	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M-H"	-1.007276
"906243"	197.045524	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-H"	-1.007276
"58432"	412.124871	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M-2H+NH4"	16.019271
"493619"	610.177671	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M-2H+NH4"	16.019271
"878348"	214.072071	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-2H+NH4"	16.019271
"41509"	417.080266	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M-2H+Na"	20.974666
"482163"	615.133066	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M-2H+Na"	20.974666
"858877"	219.027466	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-2H+Na"	20.974666
"1628409"	219.027466	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Na-2H"	20.974666
"109729"	215.033863	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M-H+Cl"	33.962126
"549653"	314.060263	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M-H+Cl"	33.962126
"941912"	116.007463	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-H+Cl"	33.962126
"281928"	431.075002	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+Cl"	34.969402
"673618"	629.127802	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+Cl"	34.969402
"1286506"	233.022202	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Cl"	34.969402
"27970"	433.054206	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M-2H+K"	36.948606
"465708"	631.107006	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M-2H+K"	36.948606
"841324"	235.001406	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-2H+K"	36.948606
"1569550"	235.001406	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+K-2H"	36.948606
"955246"	243.050994	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-H+HCOOH"	44.998194
"372001"	441.103801	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+HCOOH-H"	44.998201
"355882"	455.119451	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+Hac-H"	59.013851
"1507521"	257.066651	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Hac-H"	59.013851
"971533"	265.032951	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-H+NaCOOH"	66.980151
"122994"	233.022202	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+2Cl"	69.938804
"563649"	332.048602	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+2Cl"	69.938804
"1033538"	133.995802	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2Cl"	69.938804
"1254211"	276.971685	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Br"	78.918885
"1315930"	279.027672	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Cl+HCOOH"	80.974872
"1331240"	301.009629	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Cl+NaCOOH"	102.956829
"921201"	311.038386	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M-H+CF3COOH"	112.985586
"1297917"	347.015064	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Cl+CF3COOH"	148.962264
"1380453"	163.040124	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H-2H2O"	-35.012676
"1398319"	181.0501	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H-H2O"	-17.0027
"297641"	397.112876	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+H"	1.007276
"689704"	595.165676	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+H"	1.007276
"1362043"	199.060076	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H"	1.007276
"136027"	199.060076	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+2H"	2.014552
"569026"	298.086476	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+2H"	2.014552
"1041106"	100.033676	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2H"	2.014552
"207915"	133.042476	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+3H"	3.021828
"652943"	199.060076	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+3H"	3.021828
"1165964"	67.024876	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+3H"	3.021828
"426683"	414.139423	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+NH4"	18.033823
"788408"	612.192223	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+NH4"	18.033823
"1683035"	216.086623	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+NH4"	18.033823
"336663"	207.5733495	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+H+NH4"	19.041099
"732366"	306.5997495	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+H+NH4"	19.041099
"1483998"	108.5469495	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H+NH4"	19.041099
"402678"	419.094818	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+Na"	22.989218
"760394"	617.147618	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+Na"	22.989218
"1611773"	221.042018	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Na"	22.989218
"326184"	210.051047	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+H+Na"	23.996494
"717511"	309.077447	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+H+Na"	23.996494
"1470240"	111.024647	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H+Na"	23.996494
"1066763"	74.35219	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2H+Na"	25.00377
"1267349"	231.086286	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+CH3OH+H"	33.033486
"389569"	435.068758	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+K"	38.963158
"742552"	633.121558	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+K"	38.963158
"1548975"	237.015958	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+K"	38.963158
"310529"	218.038017	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+H+K"	39.970434
"705140"	317.064417	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+H+K"	39.970434
"1459690"	119.011617	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H+K"	39.970434
"249994"	438.139426	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+ACN+H"	42.033826
"1223553"	240.086626	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+ACN+H"	42.033826
"1206340"	120.546951	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+ACN+2H"	43.041102
"204268"	441.07676	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+2Na-H"	44.97116
"643391"	639.12956	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+2Na-H"	44.97116
"1146735"	243.02396	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2Na-H"	44.97116
"188278"	221.042018	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+2Na"	45.978436
"628411"	320.068418	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+2Na"	45.978436
"1130948"	122.015618	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2Na"	45.978436
"1413335"	81.679504	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H+2Na"	46.985712
"1444639"	245.065546	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H+HCOOH"	47.012746
"235311"	226.07504	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+3H2O+2H"	56.04448
"1523940"	259.11759	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+IsoProp+H"	61.06479
"423504"	229.028988	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+Na+K"	61.952376
"783814"	328.055388	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+Na+K"	61.952376
"1680750"	130.002588	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Na+K"	61.952376
"266303"	460.121368	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+ACN+Na"	64.015768
"1239017"	262.068568	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+ACN+Na"	64.015768
"1727174"	262.092093	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+NH4+HCOOH"	64.039293
"1193258"	89.006818	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+3Na"	68.967654
"1660961"	267.047488	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Na+HCOOH"	68.994688
"168554"	473.02464	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+2K-H"	76.91904
"607385"	671.07744	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+2K-H"	76.91904
"1095543"	274.97184	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2K-H"	76.91904
"151994"	237.015958	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"2M+2K"	77.926316
"591554"	336.042358	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"3M+2K"	77.926316
"1078253"	137.989558	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2K"	77.926316
"1111099"	276.986392	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2K+H"	78.933592
"1348212"	277.074007	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+DMSO+H"	79.021207
"1018929"	281.113176	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2ACN+H"	83.060376
"1537784"	282.106808	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+IsoProp+Na+H"	84.054008
"1003494"	141.060226	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+2ACN+2H"	84.067652
"1601279"	283.021428	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+K+HCOOH"	84.968628
"1428032"	313.052938	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+H+CF3COOH"	115.000138
"1161237"	161.573501	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+3ACN+2H"	125.094202
"1705691"	330.079485	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+NH4+CF3COOH"	132.026685
"1634901"	335.03488	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+Na+CF3COOH"	136.98208
"1581368"	351.00882	"C05584"	"3-Methoxy-4-hydroxymandelate;Vanillylmandelic acid"	"C9H10O5"	"198.0528"	"M+K+CF3COOH"	152.95602
"817067"	138.0317	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M"	0
"988550"	119.01331	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-H2O-H"	-19.01839
"75701"	91.0138573333333	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M-3H"	-3.021828
"517892"	137.024424	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M-3H"	-3.021828
"894846"	45.0032906666667	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-3H"	-3.021828
"15165"	137.024424	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M-2H"	-2.014552
"455090"	206.040274	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M-2H"	-2.014552
"827907"	68.008574	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-2H"	-2.014552
"90086"	275.056124	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M-H"	-1.007276
"530740"	413.087824	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M-H"	-1.007276
"908541"	137.024424	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-H"	-1.007276
"59270"	292.082671	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M-2H+NH4"	16.019271
"492635"	430.114371	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M-2H+NH4"	16.019271
"869342"	154.050971	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-2H+NH4"	16.019271
"36150"	297.038066	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M-2H+Na"	20.974666
"475712"	435.069766	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M-2H+Na"	20.974666
"860076"	159.006366	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-2H+Na"	20.974666
"1630706"	159.006366	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Na-2H"	20.974666
"109071"	155.012763	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M-H+Cl"	33.962126
"549687"	224.028613	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M-H+Cl"	33.962126
"942149"	85.996913	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-H+Cl"	33.962126
"277780"	311.032802	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+Cl"	34.969402
"669109"	449.064502	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+Cl"	34.969402
"1285887"	173.001102	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Cl"	34.969402
"28080"	313.012006	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M-2H+K"	36.948606
"466911"	451.043706	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M-2H+K"	36.948606
"844714"	174.980306	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-2H+K"	36.948606
"1568931"	174.980306	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+K-2H"	36.948606
"956085"	183.029894	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-H+HCOOH"	44.998194
"373936"	321.061601	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+HCOOH-H"	44.998201
"357818"	335.077251	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+Hac-H"	59.013851
"1507754"	197.045551	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Hac-H"	59.013851
"972738"	205.011851	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-H+NaCOOH"	66.980151
"125170"	173.001102	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+2Cl"	69.938804
"561937"	242.016952	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+2Cl"	69.938804
"1032921"	103.985252	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2Cl"	69.938804
"1248121"	216.950585	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Br"	78.918885
"1310570"	219.006572	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Cl+HCOOH"	80.974872
"1325881"	240.988529	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Cl+NaCOOH"	102.956829
"920219"	251.017286	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M-H+CF3COOH"	112.985586
"1304030"	286.993964	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Cl+CF3COOH"	148.962264
"1380563"	103.019024	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H-2H2O"	-35.012676
"1397219"	121.029	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H-H2O"	-17.0027
"297266"	277.070676	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+H"	1.007276
"690544"	415.102376	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+H"	1.007276
"1361789"	139.038976	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H"	1.007276
"127023"	139.038976	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+2H"	2.014552
"570958"	208.054826	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+2H"	2.014552
"1043766"	70.023126	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2H"	2.014552
"211303"	93.0284093333333	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+3H"	3.021828
"651959"	139.038976	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+3H"	3.021828
"1164977"	47.0178426666667	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+3H"	3.021828
"426428"	294.097223	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+NH4"	18.033823
"790340"	432.128923	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+NH4"	18.033823
"1685943"	156.065523	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+NH4"	18.033823
"335680"	147.5522495	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+H+NH4"	19.041099
"727007"	216.5680995	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+H+NH4"	19.041099
"1481923"	78.5363995	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H+NH4"	19.041099
"400602"	299.052618	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+Na"	22.989218
"760505"	437.084318	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+Na"	22.989218
"1609696"	161.020918	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Na"	22.989218
"324107"	150.029947	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+H+Na"	23.996494
"717624"	219.045797	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+H+Na"	23.996494
"1471443"	81.014097	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H+Na"	23.996494
"1066509"	54.3451566666667	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2H+Na"	25.00377
"1268553"	171.065186	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+CH3OH+H"	33.033486
"391139"	315.026558	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+K"	38.963158
"748130"	453.058258	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+K"	38.963158
"1546900"	176.994858	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+K"	38.963158
"313193"	158.016917	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+H+K"	39.970434
"703063"	227.032767	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+H+K"	39.970434
"1460408"	89.001067	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H+K"	39.970434
"247673"	318.097226	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+ACN+H"	42.033826
"1223297"	180.065526	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+ACN+H"	42.033826
"1207909"	90.536401	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+ACN+2H"	43.041102
"203333"	321.03456	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+2Na-H"	44.97116
"643503"	459.06626	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+2Na-H"	44.97116
"1146606"	183.00286	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2Na-H"	44.97116
"188528"	161.020918	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+2Na"	45.978436
"628165"	230.036768	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+2Na"	45.978436
"1131020"	92.005068	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2Na"	45.978436
"1413811"	61.6724706666667	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H+2Na"	46.985712
"1443291"	185.044446	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H+HCOOH"	47.012746
"231892"	166.05394	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+3H2O+2H"	56.04448
"1523236"	199.09649	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+IsoProp+H"	61.06479
"423547"	169.007888	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+Na+K"	61.952376
"785626"	238.023738	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+Na+K"	61.952376
"1680871"	99.992038	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Na+K"	61.952376
"265811"	340.079168	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+ACN+Na"	64.015768
"1241199"	202.047468	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+ACN+Na"	64.015768
"1727039"	202.070993	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+NH4+HCOOH"	64.039293
"1193733"	68.9997846666667	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+3Na"	68.967654
"1662895"	207.026388	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Na+HCOOH"	68.994688
"170487"	352.98244	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+2K-H"	76.91904
"608945"	491.01414	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+2K-H"	76.91904
"1096742"	214.95074	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2K-H"	76.91904
"154289"	176.994858	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"2M+2K"	77.926316
"593850"	246.010708	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"3M+2K"	77.926316
"1082007"	107.979008	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2K"	77.926316
"1112664"	216.965292	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2K+H"	78.933592
"1349780"	217.052907	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+DMSO+H"	79.021207
"1020134"	221.092076	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2ACN+H"	83.060376
"1538257"	222.085708	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+IsoProp+Na+H"	84.054008
"1004701"	111.049676	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+2ACN+2H"	84.067652
"1600297"	223.000328	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+K+HCOOH"	84.968628
"1428873"	253.031838	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+H+CF3COOH"	115.000138
"1157339"	131.562951	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+3ACN+2H"	125.094202
"1701427"	270.058385	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+NH4+CF3COOH"	132.026685
"1635982"	275.01378	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+Na+CF3COOH"	136.98208
"1581478"	290.98772	"C05585"	"Gentisate aldehyde;25-Dihydroxybenzaldehyde"	"C7H6O3"	"138.0317"	"M+K+CF3COOH"	152.95602
"811846"	167.0946	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M"	0
"982098"	148.07621	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"76904"	110.389124	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"516462"	166.087324	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"895117"	54.690924	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"14666"	166.087324	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"454795"	249.634624	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"828017"	82.540024	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"90196"	333.181924	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"530486"	500.276524	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"903913"	166.087324	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"56100"	350.208471	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"492744"	517.303071	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"867265"	183.113871	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"33222"	355.163866	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"471429"	522.258466	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"859822"	188.069266	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1630816"	188.069266	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"109061"	184.075663	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"549637"	267.622963	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"942424"	100.528363	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"282028"	369.158602	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"670311"	536.253202	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1285997"	202.064002	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"29284"	371.137806	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"465564"	538.232406	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"847741"	204.043206	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1570502"	204.043206	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"958263"	212.092794	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"376962"	379.187401	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"357930"	393.203051	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1508306"	226.108451	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"972847"	234.074751	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"121755"	202.064002	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"560587"	285.611302	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1034853"	118.516702	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1251514"	246.013485	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1308496"	248.069472	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1327087"	270.051429	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"919235"	280.080186	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1301418"	316.056864	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1382254"	132.081924	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1397893"	150.0919	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"297987"	335.196476	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"690532"	502.291076	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1364086"	168.101876	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"129322"	168.101876	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"572529"	251.649176	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1041325"	84.554576	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"208497"	112.403676	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"646599"	168.101876	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1164724"	56.705476	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"426904"	352.223023	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"788630"	519.317623	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1684958"	185.128423	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"334330"	176.6151495	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"727479"	260.1624495	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1482031"	93.0678495	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"398526"	357.178418	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"762802"	524.273018	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1606526"	190.083818	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"322030"	179.092847	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"716640"	262.640147	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1473738"	95.545547	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1068279"	64.03279	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1267569"	200.128086	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"391613"	373.152358	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"751888"	540.246958	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1553575"	206.057758	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"313547"	187.079817	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"704996"	270.627117	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1460884"	103.532517	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"249607"	376.223026	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1222679"	209.128426	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1209236"	105.067851	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"204256"	379.16036	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"644107"	546.25496	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1146719"	212.06576	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"188105"	190.083818	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"628110"	273.631118	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1131169"	106.536518	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1413357"	71.360104	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1443402"	214.107346	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"232003"	195.11684	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1520066"	228.15939	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"423414"	198.070788	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"785098"	281.618088	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1680740"	114.523488	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"266734"	398.204968	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1241147"	231.110368	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1727837"	231.133893	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1193920"	78.687418	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1665070"	236.089288	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"170595"	411.10824	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"609788"	578.20284	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1090294"	244.01364	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"151120"	206.057758	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"594327"	289.605058	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1082482"	122.510458	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1114601"	246.028192	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1350257"	246.115807	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1020853"	250.154976	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1538367"	251.148608	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"1002625"	125.581126	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1601500"	252.063228	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1429633"	282.094738	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1159636"	146.094401	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1701537"	299.121285	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1636092"	304.07668	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1581588"	320.05062	"C05587"	"3-Methoxytyramine"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"814143"	197.1052	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M"	0
"982208"	178.08681	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-H2O-H"	-19.01839
"77014"	130.396190666667	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M-3H"	-3.021828
"515480"	196.097924	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M-3H"	-3.021828
"894015"	64.6944573333333	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-3H"	-3.021828
"14535"	196.097924	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M-2H"	-2.014552
"454462"	294.650524	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M-2H"	-2.014552
"829589"	97.545324	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-2H"	-2.014552
"92256"	393.203124	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M-H"	-1.007276
"532424"	590.308324	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M-H"	-1.007276
"902201"	196.097924	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-H"	-1.007276
"56576"	410.229671	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M-2H+NH4"	16.019271
"495041"	607.334871	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M-2H+NH4"	16.019271
"871749"	213.124471	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-2H+NH4"	16.019271
"41838"	415.185066	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M-2H+Na"	20.974666
"479211"	612.290266	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M-2H+Na"	20.974666
"860296"	218.079866	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-2H+Na"	20.974666
"1630927"	218.079866	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Na-2H"	20.974666
"109696"	214.086263	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M-H+Cl"	33.962126
"548723"	312.638863	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M-H+Cl"	33.962126
"939081"	115.533663	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-H+Cl"	33.962126
"274721"	429.179802	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+Cl"	34.969402
"669327"	626.285002	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+Cl"	34.969402
"1285012"	232.074602	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Cl"	34.969402
"24288"	431.159006	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M-2H+K"	36.948606
"468222"	628.264206	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M-2H+K"	36.948606
"841652"	234.053806	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-2H+K"	36.948606
"1565140"	234.053806	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+K-2H"	36.948606
"955206"	242.103394	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-H+HCOOH"	44.998194
"371235"	439.208601	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+HCOOH-H"	44.998201
"359129"	453.224251	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+Hac-H"	59.013851
"1499577"	256.119051	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Hac-H"	59.013851
"970766"	264.085351	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-H+NaCOOH"	66.980151
"119309"	232.074602	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+2Cl"	69.938804
"561056"	330.627202	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+2Cl"	69.938804
"1033505"	133.522002	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2Cl"	69.938804
"1247246"	276.024085	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Br"	78.918885
"1315167"	278.080072	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Cl+HCOOH"	80.974872
"1331206"	300.062029	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Cl+NaCOOH"	102.956829
"913877"	310.090786	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M-H+CF3COOH"	112.985586
"1293871"	346.067464	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Cl+CF3COOH"	148.962264
"1370937"	162.092524	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H-2H2O"	-35.012676
"1389528"	180.1025	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H-H2O"	-17.0027
"297977"	395.217676	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+H"	1.007276
"690279"	592.322876	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+H"	1.007276
"1363466"	198.112476	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H"	1.007276
"131984"	198.112476	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+2H"	2.014552
"569359"	296.665076	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+2H"	2.014552
"1040707"	99.559876	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2H"	2.014552
"207150"	132.410742666667	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+3H"	3.021828
"645616"	198.112476	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+3H"	3.021828
"1165560"	66.7090093333333	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+3H"	3.021828
"427745"	412.244223	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+NH4"	18.033823
"791654"	609.349423	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+NH4"	18.033823
"1686163"	215.139023	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+NH4"	18.033823
"333346"	206.6257495	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+H+NH4"	19.041099
"728321"	305.1783495	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+H+NH4"	19.041099
"1481050"	108.0731495	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H+NH4"	19.041099
"399729"	417.199618	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+Na"	22.989218
"761817"	614.304818	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+Na"	22.989218
"1612103"	220.094418	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Na"	22.989218
"324325"	209.103447	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+H+Na"	23.996494
"718569"	307.656047	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+H+Na"	23.996494
"1475308"	110.550847	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H+Na"	23.996494
"1066607"	74.0363233333333	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2H+Na"	25.00377
"1270960"	230.138686	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+CH3OH+H"	33.033486
"391599"	433.173558	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+K"	38.963158
"746165"	630.278758	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+K"	38.963158
"1546032"	236.068358	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+K"	38.963158
"305395"	217.090417	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+H+K"	39.970434
"700003"	315.643017	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+H+K"	39.970434
"1452730"	118.537817	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H+K"	39.970434
"242426"	436.244226	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+ACN+H"	42.033826
"1216226"	239.139026	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+ACN+H"	42.033826
"1207400"	120.073151	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+ACN+2H"	43.041102
"202216"	439.18156	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+2Na-H"	44.97116
"643851"	636.28676	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+2Na-H"	44.97116
"1146627"	242.07636	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2Na-H"	44.97116
"188368"	220.094418	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+2Na"	45.978436
"628144"	318.647018	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+2Na"	45.978436
"1131037"	121.541818	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2Na"	45.978436
"1413467"	81.3636373333333	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H+2Na"	46.985712
"1445220"	244.117946	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H+HCOOH"	47.012746
"235275"	225.12744	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+3H2O+2H"	56.04448
"1522973"	258.16999	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+IsoProp+H"	61.06479
"423160"	228.081388	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+Na+K"	61.952376
"784520"	326.633988	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+Na+K"	61.952376
"1678667"	129.528788	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Na+K"	61.952376
"265550"	458.226168	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+ACN+Na"	64.015768
"1240568"	261.120968	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+ACN+Na"	64.015768
"1728112"	261.144493	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+NH4+HCOOH"	64.039293
"1193999"	88.6909513333333	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+3Na"	68.967654
"1664939"	266.099888	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Na+HCOOH"	68.994688
"170342"	471.12944	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+2K-H"	76.91904
"607347"	668.23464	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+2K-H"	76.91904
"1092591"	274.02424	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2K-H"	76.91904
"151233"	236.068358	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"2M+2K"	77.926316
"591155"	334.620958	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"3M+2K"	77.926316
"1080042"	137.515758	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2K"	77.926316
"1112159"	276.038792	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2K+H"	78.933592
"1350002"	276.126407	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+DMSO+H"	79.021207
"1020718"	280.165576	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2ACN+H"	83.060376
"1539653"	281.159208	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+IsoProp+Na+H"	84.054008
"1001643"	140.586426	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+2ACN+2H"	84.067652
"1601246"	282.073828	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+K+HCOOH"	84.968628
"1429627"	312.105338	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+H+CF3COOH"	115.000138
"1161933"	161.099701	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+3ACN+2H"	125.094202
"1704927"	329.131885	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+NH4+CF3COOH"	132.026685
"1637295"	334.08728	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+Na+CF3COOH"	136.98208
"1581698"	350.06122	"C05588"	"L-Metanephrine"	"C10H15NO3"	"197.1052"	"M+K+CF3COOH"	152.95602
"813160"	183.0895	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M"	0
"982318"	164.07111	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-H2O-H"	-19.01839
"77124"	121.052390666667	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M-3H"	-3.021828
"514496"	182.082224	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M-3H"	-3.021828
"895619"	60.0225573333333	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-3H"	-3.021828
"15540"	182.082224	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M-2H"	-2.014552
"454943"	273.626974	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M-2H"	-2.014552
"830425"	90.537474	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-2H"	-2.014552
"92730"	365.171724	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M-H"	-1.007276
"530343"	548.261224	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M-H"	-1.007276
"907415"	182.082224	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-H"	-1.007276
"60697"	382.198271	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M-2H+NH4"	16.019271
"498432"	565.287771	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M-2H+NH4"	16.019271
"871860"	199.108771	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-2H+NH4"	16.019271
"36479"	387.153666	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M-2H+Na"	20.974666
"479321"	570.243166	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M-2H+Na"	20.974666
"857126"	204.064166	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-2H+Na"	20.974666
"1631037"	204.064166	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Na-2H"	20.974666
"109157"	200.070563	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M-H+Cl"	33.962126
"548468"	291.615313	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M-H+Cl"	33.962126
"941626"	108.525813	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-H+Cl"	33.962126
"278111"	401.148402	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+Cl"	34.969402
"669438"	584.237902	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+Cl"	34.969402
"1285121"	218.058902	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Cl"	34.969402
"25491"	403.127606	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M-2H+K"	36.948606
"468333"	586.217106	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M-2H+K"	36.948606
"839576"	220.038106	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-2H+K"	36.948606
"1566345"	220.038106	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+K-2H"	36.948606
"952037"	228.087694	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-H+HCOOH"	44.998194
"368066"	411.177201	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+HCOOH-H"	44.998201
"357417"	425.192851	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+Hac-H"	59.013851
"1501874"	242.103351	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Hac-H"	59.013851
"968325"	250.069651	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-H+NaCOOH"	66.980151
"119419"	218.058902	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+2Cl"	69.938804
"560073"	309.603652	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+2Cl"	69.938804
"1035802"	126.514152	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2Cl"	69.938804
"1246627"	262.008385	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Br"	78.918885
"1319286"	264.064372	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Cl+HCOOH"	80.974872
"1332774"	286.046329	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Cl+NaCOOH"	102.956829
"917268"	296.075086	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M-H+CF3COOH"	112.985586
"1297260"	332.051764	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Cl+CF3COOH"	148.962264
"1374327"	148.076824	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H-2H2O"	-35.012676
"1389638"	166.0868	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H-H2O"	-17.0027
"298327"	367.186276	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+H"	1.007276
"690873"	550.275776	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+H"	1.007276
"1363580"	184.096776	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H"	1.007276
"134281"	184.096776	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+2H"	2.014552
"569469"	275.641526	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+2H"	2.014552
"1044828"	92.552026	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2H"	2.014552
"207992"	123.066942666667	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+3H"	3.021828
"646091"	184.096776	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+3H"	3.021828
"1164945"	62.0371093333333	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+3H"	3.021828
"427853"	384.212823	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+NH4"	18.033823
"791399"	567.302323	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+NH4"	18.033823
"1687365"	201.123323	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+NH4"	18.033823
"333821"	192.6100495	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+H+NH4"	19.041099
"729887"	284.1547995	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+H+NH4"	19.041099
"1484438"	101.0652995	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H+NH4"	19.041099
"399839"	389.168218	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+Na"	22.989218
"761927"	572.257718	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+Na"	22.989218
"1613307"	206.078718	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Na"	22.989218
"324435"	195.087747	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+H+Na"	23.996494
"719043"	286.632497	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+H+Na"	23.996494
"1475782"	103.542997	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H+Na"	23.996494
"1063921"	69.3644233333333	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2H+Na"	25.00377
"1269976"	216.122986	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+CH3OH+H"	33.033486
"391830"	405.142158	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+K"	38.963158
"745181"	588.231658	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+K"	38.963158
"1540674"	222.052658	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+K"	38.963158
"301130"	203.074717	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+H+K"	39.970434
"695738"	294.619467	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+H+K"	39.970434
"1452840"	111.529967	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H+K"	39.970434
"243627"	408.212826	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+ACN+H"	42.033826
"1218523"	225.123326	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+ACN+H"	42.033826
"1208855"	113.065301	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+ACN+2H"	43.041102
"203184"	411.15016	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+2Na-H"	44.97116
"643353"	594.23966	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+2Na-H"	44.97116
"1146615"	228.06066	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2Na-H"	44.97116
"188421"	206.078718	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+2Na"	45.978436
"628130"	297.623468	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+2Na"	45.978436
"1128951"	114.533968	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2Na"	45.978436
"1412969"	76.6917373333333	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H+2Na"	46.985712
"1444354"	230.102246	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H+HCOOH"	47.012746
"233925"	211.11174	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+3H2O+2H"	56.04448
"1524067"	244.15429	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+IsoProp+H"	61.06479
"423269"	214.065688	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+Na+K"	61.952376
"784752"	305.610438	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+Na+K"	61.952376
"1679504"	122.520938	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Na+K"	61.952376
"266146"	430.194768	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+ACN+Na"	64.015768
"1240679"	247.105268	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+ACN+Na"	64.015768
"1728228"	247.128793	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+NH4+HCOOH"	64.039293
"1194052"	84.0190513333333	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+3Na"	68.967654
"1664565"	252.084188	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Na+HCOOH"	68.994688
"169723"	443.09804	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+2K-H"	76.91904
"607092"	626.18754	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+2K-H"	76.91904
"1094889"	260.00854	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2K-H"	76.91904
"150614"	222.052658	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"2M+2K"	77.926316
"591265"	313.597408	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"3M+2K"	77.926316
"1082703"	130.507908	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2K"	77.926316
"1113363"	262.023092	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2K+H"	78.933592
"1349628"	262.110707	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+DMSO+H"	79.021207
"1019370"	266.149876	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2ACN+H"	83.060376
"1539315"	267.143508	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+IsoProp+Na+H"	84.054008
"1000660"	133.578576	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+2ACN+2H"	84.067652
"1599172"	268.058128	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+K+HCOOH"	84.968628
"1429085"	298.089638	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+H+CF3COOH"	115.000138
"1162292"	154.091851	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+3ACN+2H"	125.094202
"1703943"	315.116185	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+NH4+CF3COOH"	132.026685
"1637405"	320.07158	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+Na+CF3COOH"	136.98208
"1581808"	336.04552	"C05589"	"L-Normetanephrine"	"C9H13NO3"	"183.0895"	"M+K+CF3COOH"	152.95602
"815092"	127.9123	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M"	0
"982428"	108.89391	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-H2O-H"	-19.01839
"76140"	84.2675906666667	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M-3H"	-3.021828
"515699"	126.905024	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M-3H"	-3.021828
"894964"	41.6301573333333	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-3H"	-3.021828
"15001"	126.905024	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M-2H"	-2.014552
"455631"	190.861174	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M-2H"	-2.014552
"829807"	62.948874	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-2H"	-2.014552
"93327"	254.817324	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M-H"	-1.007276
"530453"	382.729624	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M-H"	-1.007276
"908985"	126.905024	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-H"	-1.007276
"59351"	271.843871	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M-2H+NH4"	16.019271
"494169"	399.756171	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M-2H+NH4"	16.019271
"871970"	143.931571	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-2H+NH4"	16.019271
"37682"	276.799266	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M-2H+Na"	20.974666
"479430"	404.711566	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M-2H+Na"	20.974666
"853955"	148.886966	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-2H+Na"	20.974666
"1621301"	148.886966	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Na-2H"	20.974666
"109270"	144.893363	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M-H+Cl"	33.962126
"549184"	208.849513	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M-H+Cl"	33.962126
"941609"	80.937213	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-H+Cl"	33.962126
"277128"	290.794002	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+Cl"	34.969402
"668455"	418.706302	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+Cl"	34.969402
"1285231"	162.881702	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Cl"	34.969402
"25601"	292.773206	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M-2H+K"	36.948606
"469536"	420.685506	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M-2H+K"	36.948606
"839686"	164.860906	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-2H+K"	36.948606
"1566456"	164.860906	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+K-2H"	36.948606
"952147"	172.910494	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-H+HCOOH"	44.998194
"368176"	300.822801	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+HCOOH-H"	44.998201
"358620"	314.838451	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+Hac-H"	59.013851
"1500891"	186.926151	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Hac-H"	59.013851
"967341"	194.892451	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-H+NaCOOH"	66.980151
"121351"	162.881702	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+2Cl"	69.938804
"560183"	226.837852	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+2Cl"	69.938804
"1033724"	98.925552	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2Cl"	69.938804
"1248560"	206.831185	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Br"	78.918885
"1318668"	208.887172	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Cl+HCOOH"	80.974872
"1327416"	230.869129	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Cl+NaCOOH"	102.956829
"914826"	240.897886	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M-H+CF3COOH"	112.985586
"1294089"	276.874564	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Cl+CF3COOH"	148.962264
"1370063"	92.899624	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H-2H2O"	-35.012676
"1386468"	110.9096	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H-H2O"	-17.0027
"298072"	256.831876	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+H"	1.007276
"690616"	384.744176	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+H"	1.007276
"1365511"	128.919576	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H"	1.007276
"134390"	128.919576	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+2H"	2.014552
"569942"	192.875726	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+2H"	2.014552
"1041657"	64.963426	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2H"	2.014552
"207734"	86.2821426666667	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+3H"	3.021828
"646930"	128.919576	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+3H"	3.021828
"1164326"	43.6447093333333	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+3H"	3.021828
"427234"	273.858423	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+NH4"	18.033823
"788958"	401.770723	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+NH4"	18.033823
"1686747"	145.946123	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+NH4"	18.033823
"333202"	137.4328495	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+H+NH4"	19.041099
"729634"	201.3889995	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+H+NH4"	19.041099
"1484548"	73.4766995	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H+NH4"	19.041099
"401042"	278.813818	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+Na"	22.989218
"762037"	406.726118	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+Na"	22.989218
"1613417"	150.901518	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Na"	22.989218
"325638"	139.910547	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+H+Na"	23.996494
"718060"	203.866697	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+H+Na"	23.996494
"1475161"	75.954397	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H+Na"	23.996494
"1064031"	50.9720233333333	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2H+Na"	25.00377
"1270086"	160.945786	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+CH3OH+H"	33.033486
"392305"	294.787758	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+K"	38.963158
"745291"	422.700058	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+K"	38.963158
"1541876"	166.875458	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+K"	38.963158
"301968"	147.897517	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+H+K"	39.970434
"694755"	211.853667	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+H+K"	39.970434
"1452950"	83.941367	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H+K"	39.970434
"242645"	297.858426	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+ACN+H"	42.033826
"1217540"	169.946126	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+ACN+H"	42.033826
"1202516"	85.476701	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+ACN+2H"	43.041102
"203778"	300.79576	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+2Na-H"	44.97116
"643213"	428.70806	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+2Na-H"	44.97116
"1146602"	172.88346	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2Na-H"	44.97116
"188070"	150.901518	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+2Na"	45.978436
"628239"	214.857668	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+2Na"	45.978436
"1129789"	86.945368	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2Na"	45.978436
"1406141"	58.2993373333333	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H+2Na"	46.985712
"1444590"	174.925046	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H+HCOOH"	47.012746
"234159"	155.93454	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+3H2O+2H"	56.04448
"1523320"	188.97709	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+IsoProp+H"	61.06479
"423379"	158.888488	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+Na+K"	61.952376
"784497"	222.844638	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+Na+K"	61.952376
"1680099"	94.932338	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Na+K"	61.952376
"266498"	319.840368	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+ACN+Na"	64.015768
"1240663"	191.928068	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+ACN+Na"	64.015768
"1727972"	191.951593	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+NH4+HCOOH"	64.039293
"1193806"	65.6266513333333	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+3Na"	68.967654
"1664431"	196.906988	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Na+HCOOH"	68.994688
"166551"	332.74364	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+2K-H"	76.91904
"606109"	460.65594	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+2K-H"	76.91904
"1094999"	204.83134	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2K-H"	76.91904
"151817"	166.875458	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"2M+2K"	77.926316
"592469"	230.831608	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"3M+2K"	77.926316
"1082449"	102.919308	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2K"	77.926316
"1114080"	206.845892	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2K+H"	78.933592
"1350832"	206.933507	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+DMSO+H"	79.021207
"1020089"	210.972676	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2ACN+H"	83.060376
"1538820"	211.966308	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+IsoProp+Na+H"	84.054008
"1002228"	105.989976	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+2ACN+2H"	84.067652
"1600739"	212.880928	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+K+HCOOH"	84.968628
"1428223"	242.912438	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+H+CF3COOH"	115.000138
"1161791"	126.503251	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+3ACN+2H"	125.094202
"1702960"	259.938985	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+NH4+CF3COOH"	132.026685
"1636422"	264.89438	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+Na+CF3COOH"	136.98208
"1581918"	280.86832	"C05590"	"Hydroiodic acid;Hydrogen iodide"	"HI"	"127.9123"	"M+K+CF3COOH"	152.95602
"811193"	200.0321	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M"	0
"979258"	181.01371	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-H2O-H"	-19.01839
"76250"	132.347457333333	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M-3H"	-3.021828
"514716"	199.024824	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M-3H"	-3.021828
"895318"	65.6700906666667	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-3H"	-3.021828
"15108"	199.024824	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M-2H"	-2.014552
"454304"	299.040874	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M-2H"	-2.014552
"830281"	99.008774	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-2H"	-2.014552
"93519"	399.056924	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M-H"	-1.007276
"530927"	599.089024	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M-H"	-1.007276
"909458"	199.024824	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-H"	-1.007276
"59825"	416.083471	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M-2H+NH4"	16.019271
"493186"	616.115571	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M-2H+NH4"	16.019271
"873173"	216.051371	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-2H+NH4"	16.019271
"36699"	421.038866	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M-2H+Na"	20.974666
"479540"	621.070966	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M-2H+Na"	20.974666
"855158"	221.006766	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-2H+Na"	20.974666
"1623597"	221.006766	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Na-2H"	20.974666
"105236"	217.013163	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M-H+Cl"	33.962126
"545888"	317.029213	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M-H+Cl"	33.962126
"942720"	116.997113	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-H+Cl"	33.962126
"275051"	435.033602	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+Cl"	34.969402
"667469"	635.065702	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+Cl"	34.969402
"1282061"	235.001502	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Cl"	34.969402
"24617"	437.012806	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M-2H+K"	36.948606
"467457"	637.044906	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M-2H+K"	36.948606
"841982"	236.980706	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-2H+K"	36.948606
"1566564"	236.980706	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+K-2H"	36.948606
"957001"	245.030294	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-H+HCOOH"	44.998194
"365004"	445.062401	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+HCOOH-H"	44.998201
"355448"	459.078051	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+Hac-H"	59.013851
"1503187"	259.045951	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Hac-H"	59.013851
"967451"	267.012251	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-H+NaCOOH"	66.980151
"119639"	235.001502	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+2Cl"	69.938804
"560293"	335.017552	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+2Cl"	69.938804
"1034199"	134.985452	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2Cl"	69.938804
"1248670"	278.950985	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Br"	78.918885
"1316590"	281.006972	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Cl+HCOOH"	80.974872
"1329713"	302.988929	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Cl+NaCOOH"	102.956829
"916395"	313.017686	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M-H+CF3COOH"	112.985586
"1293105"	348.994364	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Cl+CF3COOH"	148.962264
"1373453"	165.019424	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H-2H2O"	-35.012676
"1388764"	183.0294	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H-H2O"	-17.0027
"283952"	401.071476	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+H"	1.007276
"691090"	601.103576	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+H"	1.007276
"1363798"	201.039376	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H"	1.007276
"129033"	201.039376	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+2H"	2.014552
"567864"	301.055426	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+2H"	2.014552
"1038848"	101.023326	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2H"	2.014552
"207114"	134.362009333333	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+3H"	3.021828
"647039"	201.039376	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+3H"	3.021828
"1164800"	67.6846426666667	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+3H"	3.021828
"426249"	418.098023	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+NH4"	18.033823
"789066"	618.130123	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+NH4"	18.033823
"1686857"	218.065923	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+NH4"	18.033823
"331608"	209.5526495	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+H+NH4"	19.041099
"724640"	309.5686995	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+H+NH4"	19.041099
"1479189"	109.5365995	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H+NH4"	19.041099
"394955"	423.053418	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+Na"	22.989218
"758867"	623.085518	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+Na"	22.989218
"1606966"	223.021318	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Na"	22.989218
"321375"	212.030347	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+H+Na"	23.996494
"718169"	312.046397	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+H+Na"	23.996494
"1474175"	112.014297	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H+Na"	23.996494
"1064141"	75.0119566666667	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2H+Na"	25.00377
"1270561"	233.065586	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+CH3OH+H"	33.033486
"392378"	439.027358	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+K"	38.963158
"739569"	639.059458	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+K"	38.963158
"1541622"	238.995258	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+K"	38.963158
"300254"	220.017317	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+H+K"	39.970434
"694133"	320.033367	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+H+K"	39.970434
"1447954"	120.001267	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H+K"	39.970434
"240567"	442.098026	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+ACN+H"	42.033826
"1217650"	242.065926	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+ACN+H"	42.033826
"1206637"	121.536601	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+ACN+2H"	43.041102
"203032"	445.03536	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+2Na-H"	44.97116
"640889"	645.06746	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+2Na-H"	44.97116
"1146097"	245.00326	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2Na-H"	44.97116
"182942"	223.021318	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+2Na"	45.978436
"626148"	323.037368	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+2Na"	45.978436
"1128196"	123.005268	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2Na"	45.978436
"1405158"	82.3392706666667	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H+2Na"	46.985712
"1445182"	247.044846	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H+HCOOH"	47.012746
"234267"	228.05434	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+3H2O+2H"	56.04448
"1523790"	261.09689	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+IsoProp+H"	61.06479
"423852"	231.008288	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+Na+K"	61.952376
"784241"	331.024338	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+Na+K"	61.952376
"1680451"	130.992238	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Na+K"	61.952376
"266239"	464.079968	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+ACN+Na"	64.015768
"1240408"	264.047868	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+ACN+Na"	64.015768
"1728325"	264.071393	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+NH4+HCOOH"	64.039293
"1193433"	89.6665846666667	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+3Na"	68.967654
"1664174"	269.026788	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Na+HCOOH"	68.994688
"168482"	476.98324	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+2K-H"	76.91904
"605126"	677.01534	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+2K-H"	76.91904
"1094016"	276.95114	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2K-H"	76.91904
"150833"	238.995258	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"2M+2K"	77.926316
"591486"	339.011308	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"3M+2K"	77.926316
"1082438"	138.979208	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2K"	77.926316
"1113218"	278.965692	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2K+H"	78.933592
"1349484"	279.053307	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+DMSO+H"	79.021207
"1019225"	283.092476	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2ACN+H"	83.060376
"1538077"	284.086108	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+IsoProp+Na+H"	84.054008
"1003064"	142.049876	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+2ACN+2H"	84.067652
"1599756"	285.000728	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+K+HCOOH"	84.968628
"1429062"	315.032238	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+H+CF3COOH"	115.000138
"1162387"	162.563151	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+3ACN+2H"	125.094202
"1703070"	332.058785	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+NH4+CF3COOH"	132.026685
"1636532"	337.01418	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+Na+CF3COOH"	136.98208
"1582028"	352.98812	"C05592"	"3-Carboxymethylmuconate"	"C8H8O6"	"200.0321"	"M+K+CF3COOH"	152.95602
"816995"	152.0473	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M"	0
"989642"	133.02891	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"78557"	100.357590666667	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"518327"	151.040024	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"895475"	49.6751573333333	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"15581"	151.040024	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"455584"	227.063674	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"832501"	75.016374	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"93667"	303.087324	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"531767"	455.134624	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"908110"	151.040024	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"59935"	320.113871	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"494389"	472.161171	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"876199"	168.066571	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"36809"	325.069266	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"479650"	477.116566	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"850895"	173.021966	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1619454"	173.021966	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"108262"	169.028363	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"544175"	245.052013	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"942317"	93.004713	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"279536"	339.064002	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"670864"	491.111302	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1284359"	187.016702	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"28010"	341.043206	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"470365"	493.090506	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"845373"	188.995906	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1568863"	188.995906	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"958046"	197.045494	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"373864"	349.092801	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"360787"	363.108451	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1506217"	211.061151	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"971576"	219.027451	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"124492"	187.016702	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"561133"	263.040352	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1035038"	110.993052	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1252792"	230.966185	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1317430"	233.022172	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1329822"	255.004129	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"914318"	265.032886	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1291030"	301.009564	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1370283"	117.034624	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1388874"	135.0446	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"284549"	305.101876	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"691125"	457.149176	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1366337"	153.054576	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"136798"	153.054576	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"573079"	229.078226	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1038600"	77.030926	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"207227"	102.372142666667	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"647518"	153.054576	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1166740"	51.6897093333333	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"428554"	322.128423	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"791004"	474.175723	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1686968"	170.081123	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"333058"	161.5678495	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"725115"	237.5914995	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1481486"	85.5441995	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"397980"	327.083818	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"761166"	479.131118	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1611450"	175.036518	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"323672"	164.045547	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"717187"	240.069197	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1475015"	88.021897	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1065344"	59.0170233333333	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1272131"	185.080786	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"392574"	343.057758	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"740407"	495.105058	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1546473"	191.010458	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"303649"	172.032517	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"698257"	248.056167	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1453169"	96.008867	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"245050"	346.128426	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1218854"	194.081126	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1202735"	97.544201	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"203263"	349.06576	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"643187"	501.11306	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1147008"	197.01846	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"187553"	175.036518	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"628468"	251.060168	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1129399"	99.012868	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1410735"	66.3443373333333	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1445590"	199.060046	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"235348"	180.06954	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1522440"	213.11209	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"424051"	183.023488	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"784958"	259.047138	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1679830"	106.999838	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"266919"	368.110368	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1240841"	216.063068	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1728159"	216.086593	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1194035"	73.6716513333333	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1665256"	221.041988	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"164584"	381.01364	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"603051"	533.06094	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1094126"	228.96634	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"145473"	191.010458	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"587223"	267.034108	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1077202"	114.986808	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1114059"	230.980892	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1349470"	231.068507	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1019703"	235.107676	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1538433"	236.101308	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1003907"	118.057476	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1602057"	237.015928	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1428080"	267.047438	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1157999"	138.570751	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1700994"	284.073985	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1639926"	289.02938	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1582138"	305.00332	"C05593"	"3-Hydroxyphenylacetate;3-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"812507"	184.0736	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M"	0
"984946"	165.05521	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-H2O-H"	-19.01839
"76471"	121.708457333333	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M-3H"	-3.021828
"516032"	183.066324	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M-3H"	-3.021828
"892739"	60.3505906666667	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-3H"	-3.021828
"12044"	183.066324	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M-2H"	-2.014552
"451239"	275.103124	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M-2H"	-2.014552
"832577"	91.029524	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-2H"	-2.014552
"86487"	367.139924	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M-H"	-1.007276
"527139"	551.213524	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M-H"	-1.007276
"906762"	183.066324	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-H"	-1.007276
"58223"	384.166471	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M-2H+NH4"	16.019271
"494501"	568.240071	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M-2H+NH4"	16.019271
"873396"	200.092871	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-2H+NH4"	16.019271
"42388"	389.121866	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M-2H+Na"	20.974666
"478669"	573.195466	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M-2H+Na"	20.974666
"851005"	205.048266	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-2H+Na"	20.974666
"1619077"	205.048266	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Na-2H"	20.974666
"104725"	201.054663	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M-H+Cl"	33.962126
"542098"	293.091463	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M-H+Cl"	33.962126
"941693"	109.017863	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-H+Cl"	33.962126
"271991"	403.116602	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+Cl"	34.969402
"669881"	587.190202	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+Cl"	34.969402
"1282283"	219.043002	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Cl"	34.969402
"28120"	405.095806	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M-2H+K"	36.948606
"469502"	589.169406	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M-2H+K"	36.948606
"844390"	221.022206	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-2H+K"	36.948606
"1568609"	221.022206	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+K-2H"	36.948606
"952478"	229.071794	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-H+HCOOH"	44.998194
"376166"	413.145401	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+HCOOH-H"	44.998201
"359321"	427.161051	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+Hac-H"	59.013851
"1505964"	243.087451	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Hac-H"	59.013851
"970956"	251.053751	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-H+NaCOOH"	66.980151
"122051"	219.043002	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+2Cl"	69.938804
"564163"	311.079802	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+2Cl"	69.938804
"1035513"	127.006202	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2Cl"	69.938804
"1252538"	262.992485	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Br"	78.918885
"1316446"	265.048472	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Cl+HCOOH"	80.974872
"1328839"	287.030429	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Cl+NaCOOH"	102.956829
"916615"	297.059186	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M-H+CF3COOH"	112.985586
"1297698"	333.035864	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Cl+CF3COOH"	148.962264
"1374766"	149.060924	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H-2H2O"	-35.012676
"1385703"	167.0709	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H-H2O"	-17.0027
"287576"	369.154476	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+H"	1.007276
"679997"	553.228076	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+H"	1.007276
"1366865"	185.080876	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H"	1.007276
"138001"	185.080876	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+2H"	2.014552
"576466"	277.117676	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+2H"	2.014552
"1043080"	93.044076	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2H"	2.014552
"210254"	123.723009333333	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+3H"	3.021828
"647992"	185.080876	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+3H"	3.021828
"1167941"	62.3651426666667	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+3H"	3.021828
"426473"	386.181023	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+NH4"	18.033823
"791113"	570.254623	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+NH4"	18.033823
"1685985"	202.107423	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+NH4"	18.033823
"332803"	193.5941495	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+H+NH4"	19.041099
"724497"	285.6309495	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+H+NH4"	19.041099
"1479410"	101.5573495	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H+NH4"	19.041099
"395904"	391.136418	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+Na"	22.989218
"763462"	575.210018	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+Na"	22.989218
"1611560"	207.062818	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Na"	22.989218
"323784"	196.071847	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+H+Na"	23.996494
"719484"	288.108647	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+H+Na"	23.996494
"1473304"	104.035047	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H+Na"	23.996494
"1065824"	69.6924566666667	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2H+Na"	25.00377
"1270419"	217.107086	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+CH3OH+H"	33.033486
"391546"	407.110358	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+K"	38.963158
"740519"	591.183958	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+K"	38.963158
"1547677"	223.036758	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+K"	38.963158
"305945"	204.058817	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+H+K"	39.970434
"699460"	296.095617	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+H+K"	39.970434
"1449271"	112.022017	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H+K"	39.970434
"237872"	410.181026	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+ACN+H"	42.033826
"1224432"	226.107426	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+ACN+H"	42.033826
"1205399"	113.557351	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+ACN+2H"	43.041102
"202644"	413.11836	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+2Na-H"	44.97116
"642204"	597.19196	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+2Na-H"	44.97116
"1144980"	229.04476	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2Na-H"	44.97116
"183163"	207.062818	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+2Na"	45.978436
"619442"	299.099618	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+2Na"	45.978436
"1122948"	115.026018	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2Na"	45.978436
"1405378"	77.0197706666667	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H+2Na"	46.985712
"1444058"	231.086346	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H+HCOOH"	47.012746
"233390"	212.09584	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+3H2O+2H"	56.04448
"1522550"	245.13839	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+IsoProp+H"	61.06479
"424155"	215.049788	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+Na+K"	61.952376
"784338"	307.086588	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+Na+K"	61.952376
"1679575"	123.012988	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Na+K"	61.952376
"265731"	432.162968	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+ACN+Na"	64.015768
"1241034"	248.089368	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+ACN+Na"	64.015768
"1728262"	248.112893	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+NH4+HCOOH"	64.039293
"1193409"	84.3470846666667	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+3Na"	68.967654
"1664394"	253.068288	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Na+HCOOH"	68.994688
"165789"	445.06624	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+2K-H"	76.91904
"599881"	629.13984	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+2K-H"	76.91904
"1085728"	260.99264	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2K-H"	76.91904
"146677"	223.036758	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"2M+2K"	77.926316
"584048"	315.073558	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"3M+2K"	77.926316
"1070871"	130.999958	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2K"	77.926316
"1107238"	263.007192	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2K+H"	78.933592
"1348000"	263.094807	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+DMSO+H"	79.021207
"1019571"	267.133976	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2ACN+H"	83.060376
"1537571"	268.127608	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+IsoProp+Na+H"	84.054008
"1001102"	134.070626	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+2ACN+2H"	84.067652
"1598886"	269.042228	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+K+HCOOH"	84.968628
"1427824"	299.073738	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+H+CF3COOH"	115.000138
"1158109"	154.583901	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+3ACN+2H"	125.094202
"1700009"	316.100285	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+NH4+CF3COOH"	132.026685
"1640036"	321.05568	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+Na+CF3COOH"	136.98208
"1582248"	337.02962	"C05594"	"3-Methoxy-4-hydroxyphenylethyleneglycol"	"C9H12O4"	"184.0736"	"M+K+CF3COOH"	152.95602
"813711"	281.0899	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M"	0
"982868"	262.07151	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-H2O-H"	-19.01839
"76581"	186.385990666667	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M-3H"	-3.021828
"517721"	280.082624	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M-3H"	-3.021828
"892485"	92.6893573333333	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-3H"	-3.021828
"13247"	280.082624	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M-2H"	-2.014552
"452077"	420.627574	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M-2H"	-2.014552
"830976"	139.537674	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-2H"	-2.014552
"93525"	561.172524	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M-H"	-1.007276
"529801"	842.262424	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M-H"	-1.007276
"905049"	280.082624	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-H"	-1.007276
"57239"	578.199071	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M-2H+NH4"	16.019271
"494611"	859.288971	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M-2H+NH4"	16.019271
"873506"	297.109171	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-2H+NH4"	16.019271
"40312"	583.154466	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M-2H+Na"	20.974666
"478779"	864.244366	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M-2H+Na"	20.974666
"855488"	302.064566	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-2H+Na"	20.974666
"1621740"	302.064566	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Na-2H"	20.974666
"104835"	298.070963	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M-H+Cl"	33.962126
"542208"	438.615913	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M-H+Cl"	33.962126
"940100"	157.526013	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-H+Cl"	33.962126
"274288"	597.149202	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+Cl"	34.969402
"671084"	878.239102	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+Cl"	34.969402
"1281300"	316.059302	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Cl"	34.969402
"22762"	599.128406	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M-2H+K"	36.948606
"465603"	880.218306	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M-2H+K"	36.948606
"844498"	318.038506	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-2H+K"	36.948606
"1566894"	318.038506	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+K-2H"	36.948606
"950402"	326.088094	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-H+HCOOH"	44.998194
"374087"	607.178001	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+HCOOH-H"	44.998201
"360524"	621.193651	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+Hac-H"	59.013851
"1505346"	340.103751	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Hac-H"	59.013851
"973620"	348.070051	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-H+NaCOOH"	66.980151
"125322"	316.059302	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+2Cl"	69.938804
"564275"	456.604252	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+2Cl"	69.938804
"1036964"	175.514352	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2Cl"	69.938804
"1251918"	360.008785	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Br"	78.918885
"1319350"	362.064772	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Cl+HCOOH"	80.974872
"1333322"	384.046729	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Cl+NaCOOH"	102.956829
"917819"	394.075486	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M-H+CF3COOH"	112.985586
"1298901"	430.052164	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Cl+CF3COOH"	148.962264
"1374876"	246.077224	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H-2H2O"	-35.012676
"1390186"	264.0872	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H-H2O"	-17.0027
"287686"	563.187076	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+H"	1.007276
"678284"	844.276976	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+H"	1.007276
"1365213"	282.097176	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H"	1.007276
"138112"	282.097176	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+2H"	2.014552
"577671"	422.642126	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+2H"	2.014552
"1046471"	141.552226	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2H"	2.014552
"207811"	188.400542666667	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+3H"	3.021828
"647371"	282.097176	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+3H"	3.021828
"1165134"	94.7039093333333	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+3H"	3.021828
"428041"	580.213623	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+NH4"	18.033823
"789765"	861.303523	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+NH4"	18.033823
"1685003"	299.123723	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+NH4"	18.033823
"334375"	290.6104495	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+H+NH4"	19.041099
"726796"	431.1553995	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+H+NH4"	19.041099
"1483897"	150.0654995	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H+NH4"	19.041099
"400388"	585.169018	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+Na"	22.989218
"762477"	866.258918	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+Na"	22.989218
"1612762"	304.079118	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Na"	22.989218
"324986"	293.088147	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+H+Na"	23.996494
"714126"	433.633097	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+H+Na"	23.996494
"1474508"	152.543197	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H+Na"	23.996494
"1066659"	102.031223333333	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2H+Na"	25.00377
"1271619"	314.123386	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+CH3OH+H"	33.033486
"392020"	601.142958	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+K"	38.963158
"743544"	882.232858	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+K"	38.963158
"1549974"	320.053058	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+K"	38.963158
"306055"	301.075117	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+H+K"	39.970434
"696290"	441.620067	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+H+K"	39.970434
"1449745"	160.530167	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H+K"	39.970434
"241992"	604.213626	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+ACN+H"	42.033826
"1224670"	323.123726	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+ACN+H"	42.033826
"1206602"	162.065501	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+ACN+2H"	43.041102
"203609"	607.15096	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+2Na-H"	44.97116
"643652"	888.24086	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+2Na-H"	44.97116
"1144724"	326.06106	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2Na-H"	44.97116
"183273"	304.079118	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+2Na"	45.978436
"620645"	444.624068	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+2Na"	45.978436
"1124151"	163.534168	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2Na"	45.978436
"1406581"	109.358537333333	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H+2Na"	46.985712
"1445139"	328.102646	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H+HCOOH"	47.012746
"234592"	309.11214	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+3H2O+2H"	56.04448
"1523030"	342.15469	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+IsoProp+H"	61.06479
"423816"	312.066088	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+Na+K"	61.952376
"784085"	452.611038	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+Na+K"	61.952376
"1679687"	171.521138	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Na+K"	61.952376
"266776"	626.195568	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+ACN+Na"	64.015768
"1240372"	345.105668	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+ACN+Na"	64.015768
"1728048"	345.129193	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+NH4+HCOOH"	64.039293
"1193887"	116.685851333333	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+3Na"	68.967654
"1663409"	350.084588	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Na+HCOOH"	68.994688
"169181"	639.09884	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+2K-H"	76.91904
"601083"	920.18874	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+2K-H"	76.91904
"1086690"	358.00894	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2K-H"	76.91904
"151164"	320.053058	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"2M+2K"	77.926316
"584160"	460.598008	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"3M+2K"	77.926316
"1075236"	179.508108	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2K"	77.926316
"1110268"	360.023492	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2K+H"	78.933592
"1348476"	360.111107	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+DMSO+H"	79.021207
"1020532"	364.150276	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2ACN+H"	83.060376
"1539386"	365.143908	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+IsoProp+Na+H"	84.054008
"1001212"	182.578776	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+2ACN+2H"	84.067652
"1597902"	366.058528	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+K+HCOOH"	84.968628
"1427935"	396.090038	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+H+CF3COOH"	115.000138
"1154939"	203.092051	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+3ACN+2H"	125.094202
"1701213"	413.116585	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+NH4+CF3COOH"	132.026685
"1640146"	418.07198	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+Na+CF3COOH"	136.98208
"1582358"	434.04592	"C05595"	"4-Hydroxyphenylacetylglutamic acid;p-Hydroxyphenylacetylglutamic acid;4-Hydroxyphenylacetylglutamate;p-Hydroxyphenylacetylglutamate"	"C13H15NO6"	"281.0899"	"M+K+CF3COOH"	152.95602
"816932"	209.0688	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M"	0
"985165"	190.05041	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-H2O-H"	-19.01839
"77784"	138.371924	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M-3H"	-3.021828
"517709"	208.061524	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M-3H"	-3.021828
"894781"	68.682324	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-3H"	-3.021828
"13722"	208.061524	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M-2H"	-2.014552
"453645"	312.595924	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M-2H"	-2.014552
"831086"	103.527124	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-2H"	-2.014552
"93960"	417.130324	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M-H"	-1.007276
"533193"	626.199124	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M-H"	-1.007276
"907346"	208.061524	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-H"	-1.007276
"56253"	434.156871	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M-2H+NH4"	16.019271
"490346"	643.225671	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M-2H+NH4"	16.019271
"870335"	225.088071	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-2H+NH4"	16.019271
"38234"	439.112266	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M-2H+Na"	20.974666
"476701"	648.181066	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M-2H+Na"	20.974666
"856691"	230.043466	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-2H+Na"	20.974666
"1625132"	230.043466	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Na-2H"	20.974666
"104945"	226.049863	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M-H+Cl"	33.962126
"547665"	330.584263	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M-H+Cl"	33.962126
"940942"	121.515463	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-H+Cl"	33.962126
"274398"	453.107002	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+Cl"	34.969402
"670100"	662.175802	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+Cl"	34.969402
"1277034"	244.038202	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Cl"	34.969402
"18130"	455.086206	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M-2H+K"	36.948606
"467898"	664.155006	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M-2H+K"	36.948606
"836953"	246.017406	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-2H+K"	36.948606
"1562628"	246.017406	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+K-2H"	36.948606
"955250"	254.066994	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-H+HCOOH"	44.998194
"373828"	463.135801	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+HCOOH-H"	44.998201
"356619"	477.151451	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+Hac-H"	59.013851
"1497066"	268.082651	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Hac-H"	59.013851
"971173"	276.048951	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-H+NaCOOH"	66.980151
"124456"	244.038202	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+2Cl"	69.938804
"564750"	348.572602	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+2Cl"	69.938804
"1031720"	139.503802	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2Cl"	69.938804
"1256770"	287.987685	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Br"	78.918885
"1318122"	290.043672	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Cl+HCOOH"	80.974872
"1334161"	312.025629	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Cl+NaCOOH"	102.956829
"917929"	322.054386	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M-H+CF3COOH"	112.985586
"1296824"	358.031064	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Cl+CF3COOH"	148.962264
"1379361"	174.056124	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H-2H2O"	-35.012676
"1392483"	192.0661	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H-H2O"	-17.0027
"287067"	419.144876	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+H"	1.007276
"681311"	628.213676	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+H"	1.007276
"1364230"	210.076076	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H"	1.007276
"137125"	210.076076	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+2H"	2.014552
"577052"	314.610476	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+2H"	2.014552
"1043301"	105.541676	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2H"	2.014552
"209015"	140.386476	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+3H"	3.021828
"648210"	210.076076	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+3H"	3.021828
"1165606"	70.696876	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+3H"	3.021828
"426328"	436.171423	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+NH4"	18.033823
"786711"	645.240223	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+NH4"	18.033823
"1682925"	227.102623	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+NH4"	18.033823
"336671"	218.5893495	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+H+NH4"	19.041099
"726174"	323.1237495	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+H+NH4"	19.041099
"1480725"	114.0549495	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H+NH4"	19.041099
"397217"	441.126818	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+Na"	22.989218
"758211"	650.195618	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+Na"	22.989218
"1607403"	232.058018	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Na"	22.989218
"319626"	221.067047	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+H+Na"	23.996494
"710954"	325.601447	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+H+Na"	23.996494
"1469150"	116.532647	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H+Na"	23.996494
"1059111"	78.02419	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2H+Na"	25.00377
"1267354"	242.102286	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+CH3OH+H"	33.033486
"391395"	457.100758	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+K"	38.963158
"750202"	666.169558	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+K"	38.963158
"1545709"	248.031958	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+K"	38.963158
"305435"	229.054017	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+H+K"	39.970434
"696764"	333.588417	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+H+K"	39.970434
"1450583"	124.519617	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H+K"	39.970434
"239914"	460.171426	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+ACN+H"	42.033826
"1224531"	251.102626	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+ACN+H"	42.033826
"1205982"	126.054951	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+ACN+2H"	43.041102
"202986"	463.10876	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+2Na-H"	44.97116
"642301"	672.17756	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+2Na-H"	44.97116
"1141187"	254.03996	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2Na-H"	44.97116
"184475"	232.058018	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+2Na"	45.978436
"618202"	336.592418	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+2Na"	45.978436
"1124260"	127.523618	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2Na"	45.978436
"1401587"	85.351504	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H+2Na"	46.985712
"1445130"	256.081546	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H+HCOOH"	47.012746
"234826"	237.09104	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+3H2O+2H"	56.04448
"1523504"	270.13359	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+IsoProp+H"	61.06479
"422824"	240.044988	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+Na+K"	61.952376
"785412"	344.579388	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+Na+K"	61.952376
"1680894"	135.510588	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Na+K"	61.952376
"266681"	482.153368	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+ACN+Na"	64.015768
"1240243"	273.084568	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+ACN+Na"	64.015768
"1727056"	273.108093	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+NH4+HCOOH"	64.039293
"1193508"	92.678818	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+3Na"	68.967654
"1663883"	278.063488	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Na+HCOOH"	68.994688
"170385"	495.05664	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+2K-H"	76.91904
"602289"	704.12544	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+2K-H"	76.91904
"1087895"	285.98784	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2K-H"	76.91904
"150180"	248.031958	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"2M+2K"	77.926316
"585365"	352.566358	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"3M+2K"	77.926316
"1074252"	143.497558	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2K"	77.926316
"1109649"	288.002392	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2K+H"	78.933592
"1349803"	288.090007	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+DMSO+H"	79.021207
"1019912"	292.129176	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2ACN+H"	83.060376
"1538525"	293.122808	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+IsoProp+Na+H"	84.054008
"1005418"	146.568226	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+2ACN+2H"	84.067652
"1599107"	294.037428	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+K+HCOOH"	84.968628
"1425495"	324.068938	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+H+CF3COOH"	115.000138
"1161247"	167.081501	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+3ACN+2H"	125.094202
"1705699"	341.095485	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+NH4+CF3COOH"	132.026685
"1640256"	346.05088	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+Na+CF3COOH"	136.98208
"1582468"	362.02482	"C05596"	"p-Hydroxyphenylacetylglycine;4-Hydroxyphenylacetylglycine"	"C10H11NO4"	"209.0688"	"M+K+CF3COOH"	152.95602
"813930"	193.0739	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M"	0
"979808"	174.05551	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-H2O-H"	-19.01839
"72425"	127.708657333333	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M-3H"	-3.021828
"513079"	192.066624	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M-3H"	-3.021828
"887600"	63.3506906666667	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-3H"	-3.021828
"11642"	192.066624	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M-2H"	-2.014552
"454849"	288.603574	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M-2H"	-2.014552
"830096"	95.529674	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-2H"	-2.014552
"92280"	385.140524	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M-H"	-1.007276
"533424"	578.214424	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M-H"	-1.007276
"904175"	192.066624	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-H"	-1.007276
"54176"	402.167071	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M-2H+NH4"	16.019271
"493735"	595.240971	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M-2H+NH4"	16.019271
"871538"	209.093171	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-2H+NH4"	16.019271
"39437"	407.122466	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M-2H+Na"	20.974666
"476811"	600.196366	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M-2H+Na"	20.974666
"852426"	214.048566	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-2H+Na"	20.974666
"1628522"	214.048566	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Na-2H"	20.974666
"105055"	210.054963	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M-H+Cl"	33.962126
"547775"	306.591913	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M-H+Cl"	33.962126
"942185"	113.518013	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-H+Cl"	33.962126
"275601"	421.117202	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+Cl"	34.969402
"669116"	614.191102	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+Cl"	34.969402
"1280424"	228.043302	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Cl"	34.969402
"22981"	423.096406	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M-2H+K"	36.948606
"468009"	616.170306	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M-2H+K"	36.948606
"842531"	230.022506	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-2H+K"	36.948606
"1566018"	230.022506	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+K-2H"	36.948606
"955359"	238.072094	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-H+HCOOH"	44.998194
"373574"	431.146001	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+HCOOH-H"	44.998201
"356729"	445.161651	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+Hac-H"	59.013851
"1497176"	252.087751	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Hac-H"	59.013851
"973105"	260.054051	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-H+NaCOOH"	66.980151
"123471"	228.043302	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+2Cl"	69.938804
"564981"	324.580252	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+2Cl"	69.938804
"1031830"	131.506352	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2Cl"	69.938804
"1256149"	271.992785	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Br"	78.918885
"1317868"	274.048772	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Cl+HCOOH"	80.974872
"1334271"	296.030729	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Cl+NaCOOH"	102.956829
"924235"	306.059486	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M-H+CF3COOH"	112.985586
"1303620"	342.036164	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Cl+CF3COOH"	148.962264
"1381416"	158.061224	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H-2H2O"	-35.012676
"1392593"	176.0712	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H-H2O"	-17.0027
"293374"	387.155076	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+H"	1.007276
"687983"	580.228976	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+H"	1.007276
"1363240"	194.081176	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H"	1.007276
"139055"	194.081176	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+2H"	2.014552
"577526"	290.618126	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+2H"	2.014552
"1047415"	97.544226	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2H"	2.014552
"207303"	129.723209333333	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+3H"	3.021828
"648686"	194.081176	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+3H"	3.021828
"1167174"	65.3652426666667	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+3H"	3.021828
"427531"	404.181623	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+NH4"	18.033823
"789621"	597.255523	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+NH4"	18.033823
"1685222"	211.107723	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+NH4"	18.033823
"332769"	202.5944495	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+H+NH4"	19.041099
"727378"	299.1313995	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+H+NH4"	19.041099
"1480466"	106.0574995	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H+NH4"	19.041099
"397325"	409.137018	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+Na"	22.989218
"758321"	602.210918	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+Na"	22.989218
"1607513"	216.063118	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Na"	22.989218
"318643"	205.072147	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+H+Na"	23.996494
"709971"	301.609097	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+H+Na"	23.996494
"1469260"	108.535197	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H+Na"	23.996494
"1059221"	72.6925566666667	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2H+Na"	25.00377
"1268557"	226.107386	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+CH3OH+H"	33.033486
"392681"	425.110958	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+K"	38.963158
"747032"	618.184858	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+K"	38.963158
"1545819"	232.037058	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+K"	38.963158
"306274"	213.059117	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+H+K"	39.970434
"700882"	309.596067	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+H+K"	39.970434
"1452515"	116.522167	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H+K"	39.970434
"246583"	428.181626	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+ACN+H"	42.033826
"1223670"	235.107726	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+ACN+H"	42.033826
"1208277"	118.057501	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+ACN+2H"	43.041102
"203217"	431.11896	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+2Na-H"	44.97116
"638884"	624.19286	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+2Na-H"	44.97116
"1139110"	238.04506	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2Na-H"	44.97116
"183493"	216.063118	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+2Na"	45.978436
"623052"	312.600068	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+2Na"	45.978436
"1124370"	119.526168	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2Na"	45.978436
"1404613"	80.0198706666667	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H+2Na"	46.985712
"1444878"	240.086646	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H+HCOOH"	47.012746
"234811"	221.09614	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+3H2O+2H"	56.04448
"1523615"	254.13869	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+IsoProp+H"	61.06479
"423991"	224.050088	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+Na+K"	61.952376
"783935"	320.587038	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+Na+K"	61.952376
"1680756"	127.513138	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Na+K"	61.952376
"266791"	450.163568	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+ACN+Na"	64.015768
"1241156"	257.089668	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+ACN+Na"	64.015768
"1727653"	257.113193	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+NH4+HCOOH"	64.039293
"1192640"	87.3471846666667	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+3Na"	68.967654
"1663262"	262.068588	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Na+HCOOH"	68.994688
"170130"	463.06684	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+2K-H"	76.91904
"602399"	656.14074	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+2K-H"	76.91904
"1089099"	269.99294	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2K-H"	76.91904
"149197"	232.037058	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"2M+2K"	77.926316
"584382"	328.574008	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"3M+2K"	77.926316
"1075457"	135.500108	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2K"	77.926316
"1106479"	272.007492	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2K+H"	78.933592
"1349061"	272.095107	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+DMSO+H"	79.021207
"1019173"	276.134276	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2ACN+H"	83.060376
"1537905"	277.127908	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+IsoProp+Na+H"	84.054008
"1003257"	138.570776	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+2ACN+2H"	84.067652
"1599947"	278.042528	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+K+HCOOH"	84.968628
"1427791"	308.074038	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+H+CF3COOH"	115.000138
"1159536"	159.084051	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+3ACN+2H"	125.094202
"1704716"	325.100585	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+NH4+CF3COOH"	132.026685
"1640366"	330.05598	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+Na+CF3COOH"	136.98208
"1582578"	346.02992	"C05598"	"Phenylacetylglycine"	"C10H11NO3"	"193.0739"	"M+K+CF3COOH"	152.95602
"812946"	172.0372	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M"	0
"979918"	153.01881	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"72535"	113.684190666667	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"513189"	171.029924	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"887710"	56.3384573333333	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"11752"	171.029924	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"453135"	257.048524	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"830207"	85.011324	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"93972"	343.067124	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"529766"	515.104324	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"907566"	171.029924	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"58662"	360.093671	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"497127"	532.130871	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"877604"	188.056471	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"39549"	365.049066	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"476922"	537.086266	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"861284"	193.011866	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1629726"	193.011866	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"109666"	189.018263	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"548006"	275.036863	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"942499"	102.999663	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"275711"	379.043802	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"670320"	551.081002	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1287094"	207.006602	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"28559"	381.023006	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"467027"	553.060206	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"843736"	208.985806	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1570505"	208.985806	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"954011"	217.035394	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"374777"	389.072601	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"360119"	403.088251	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1501661"	231.051051	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"972493"	239.017351	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"124315"	207.006602	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"565538"	293.025202	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1034127"	120.988002	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1256502"	250.956085	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1319321"	253.012072	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1334381"	274.994029	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"924345"	285.022786	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1303894"	320.999464	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1382461"	137.024524	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1395620"	155.0345	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"295675"	345.081676	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"690769"	517.118876	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1363351"	173.044476	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"136979"	173.044476	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"575448"	259.063076	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1046795"	87.025876	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"206316"	115.698742666667	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"647337"	173.044476	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1165463"	58.3530093333333	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"426548"	362.108223	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"790459"	534.145423	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1683871"	190.071023	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"330364"	181.5577495	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"725301"	267.5763495	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1478751"	95.5391495	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"394520"	367.063618	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"756244"	539.100818	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1605436"	195.026418	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"319845"	184.035447	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"710082"	270.054047	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1466089"	98.016847	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1063707"	65.6803233333333	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1269760"	205.070686	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"391617"	383.037558	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"749329"	555.074758	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1544107"	211.000358	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"305291"	192.022417	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"699898"	278.041017	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1459552"	106.003817	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"249613"	386.108226	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1224142"	214.071026	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1209121"	107.539151	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"203896"	389.04556	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"638994"	561.08276	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1143593"	217.00836	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"184696"	195.026418	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"623162"	281.045018	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1122293"	109.007818	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1404723"	73.0076373333333	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1444378"	219.049946	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"230912"	200.05944	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1523929"	233.10199	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"424098"	203.013388	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"782223"	289.031988	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1679529"	116.994788	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"265566"	408.090168	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1240816"	236.052968	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1728122"	236.076493	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1192748"	80.3349513333333	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1661912"	241.031888	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"169862"	420.99344	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"602509"	593.03064	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1089209"	248.95624	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"151494"	211.000358	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"584491"	297.018958	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1074473"	124.981758	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1109870"	250.970792	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1349537"	251.058407	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1020255"	255.097576	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1538379"	256.091208	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"1003369"	128.052426	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1598964"	257.005828	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1428265"	287.037338	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1159646"	148.565701	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1704826"	304.063885	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1639383"	309.01928	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1582688"	324.99322	"C05600"	"2-Hydroxyhepta-24-dienedioate;2-Hydroxyhepta-24-diene-17-dioate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"814150"	190.0477	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M"	0
"980028"	171.02931	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-H2O-H"	-19.01839
"72645"	125.691190666667	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M-3H"	-3.021828
"507831"	189.040424	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M-3H"	-3.021828
"884540"	62.3419573333333	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-3H"	-3.021828
"11862"	189.040424	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M-2H"	-2.014552
"453245"	284.064274	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M-2H"	-2.014552
"830805"	94.016574	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-2H"	-2.014552
"92380"	379.088124	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M-H"	-1.007276
"532062"	569.135824	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M-H"	-1.007276
"907676"	189.040424	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-H"	-1.007276
"59864"	396.114671	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M-2H+NH4"	16.019271
"493957"	586.162371	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M-2H+NH4"	16.019271
"868479"	206.066971	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-2H+NH4"	16.019271
"39659"	401.070066	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M-2H+Na"	20.974666
"477032"	591.117766	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M-2H+Na"	20.974666
"853740"	211.022366	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-2H+Na"	20.974666
"1628742"	211.022366	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Na-2H"	20.974666
"108072"	207.028763	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M-H+Cl"	33.962126
"544836"	302.052613	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M-H+Cl"	33.962126
"942000"	112.004913	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-H+Cl"	33.962126
"278009"	415.064802	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+Cl"	34.969402
"670430"	605.112502	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+Cl"	34.969402
"1286113"	225.017102	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Cl"	34.969402
"27575"	417.044006	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M-2H+K"	36.948606
"468959"	607.091706	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M-2H+K"	36.948606
"844939"	226.996306	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-2H+K"	36.948606
"1570536"	226.996306	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+K-2H"	36.948606
"958255"	235.045894	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-H+HCOOH"	44.998194
"374887"	425.093601	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+HCOOH-H"	44.998201
"358772"	439.109251	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+Hac-H"	59.013851
"1501771"	249.061551	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Hac-H"	59.013851
"973331"	257.027851	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-H+NaCOOH"	66.980151
"124426"	225.017102	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+2Cl"	69.938804
"565322"	320.040952	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+2Cl"	69.938804
"1033873"	129.993252	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2Cl"	69.938804
"1256368"	268.966585	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Br"	78.918885
"1319806"	271.022572	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Cl+HCOOH"	80.974872
"1335441"	293.004529	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Cl+NaCOOH"	102.956829
"923362"	303.033286	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M-H+CF3COOH"	112.985586
"1301528"	339.009964	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Cl+CF3COOH"	148.962264
"1382245"	155.035024	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H-2H2O"	-35.012676
"1391720"	173.045	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H-H2O"	-17.0027
"296511"	381.102676	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+H"	1.007276
"690270"	571.150376	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+H"	1.007276
"1361271"	191.054976	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H"	1.007276
"137818"	191.054976	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+2H"	2.014552
"577011"	286.078826	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+2H"	2.014552
"1046907"	96.031126	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2H"	2.014552
"213712"	127.705742666667	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+3H"	3.021828
"653280"	191.054976	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+3H"	3.021828
"1164845"	64.3565093333333	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+3H"	3.021828
"429210"	398.129223	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+NH4"	18.033823
"792392"	588.176923	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+NH4"	18.033823
"1685441"	208.081523	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+NH4"	18.033823
"330436"	199.5682495	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+H+NH4"	19.041099
"725047"	294.5920995	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+H+NH4"	19.041099
"1478860"	104.5443995	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H+NH4"	19.041099
"394266"	403.084618	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+Na"	22.989218
"755260"	593.132318	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+Na"	22.989218
"1606640"	213.036918	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Na"	22.989218
"318864"	202.045947	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+H+Na"	23.996494
"710192"	297.069797	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+H+Na"	23.996494
"1465106"	107.022097	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H+Na"	23.996494
"1063817"	71.6838233333333	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2H+Na"	25.00377
"1266591"	223.081186	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+CH3OH+H"	33.033486
"391119"	419.058558	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+K"	38.963158
"749439"	609.106258	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+K"	38.963158
"1543487"	229.010858	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+K"	38.963158
"302849"	210.032917	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+H+K"	39.970434
"701101"	305.056767	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+H+K"	39.970434
"1458569"	115.009067	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H+K"	39.970434
"249721"	422.129226	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+ACN+H"	42.033826
"1222066"	232.081526	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+ACN+H"	42.033826
"1209108"	116.544401	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+ACN+2H"	43.041102
"203071"	425.06656	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+2Na-H"	44.97116
"639104"	615.11426	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+2Na-H"	44.97116
"1140423"	235.01886	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2Na-H"	44.97116
"181526"	213.036918	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+2Na"	45.978436
"623272"	308.060768	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+2Na"	45.978436
"1121310"	118.013068	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2Na"	45.978436
"1403739"	79.0111373333333	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H+2Na"	46.985712
"1443393"	237.060446	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H+HCOOH"	47.012746
"226647"	218.06994	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+3H2O+2H"	56.04448
"1523352"	251.11249	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+IsoProp+H"	61.06479
"423401"	221.023888	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+Na+K"	61.952376
"780876"	316.047738	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+Na+K"	61.952376
"1679396"	126.000038	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Na+K"	61.952376
"265797"	444.111168	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+ACN+Na"	64.015768
"1240563"	254.063468	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+ACN+Na"	64.015768
"1727505"	254.086993	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+NH4+HCOOH"	64.039293
"1191766"	86.3384513333333	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+3Na"	68.967654
"1661657"	259.042388	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Na+HCOOH"	68.994688
"168151"	457.01444	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+2K-H"	76.91904
"599339"	647.06214	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+2K-H"	76.91904
"1093694"	266.96674	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2K-H"	76.91904
"148324"	229.010858	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"2M+2K"	77.926316
"582900"	324.034708	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"3M+2K"	77.926316
"1074583"	133.987008	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2K"	77.926316
"1106699"	268.981292	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2K+H"	78.933592
"1349646"	269.068907	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+DMSO+H"	79.021207
"1020000"	273.108076	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2ACN+H"	83.060376
"1539543"	274.101708	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+IsoProp+Na+H"	84.054008
"1004571"	137.057676	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+2ACN+2H"	84.067652
"1600532"	275.016328	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+K+HCOOH"	84.968628
"1427282"	305.047838	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+H+CF3COOH"	115.000138
"1160849"	157.570951	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+3ACN+2H"	125.094202
"1703843"	322.074385	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+NH4+CF3COOH"	132.026685
"1640586"	327.02978	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+Na+CF3COOH"	136.98208
"1582798"	343.00372	"C05601"	"4-Hydroxy-2-oxo-heptanedioate;4-Hydroxy-2-ketopimelate;4-Hydroxy-2-oxoheptanedioic acid;4-Hydroxy-2-oxoheptanedioate"	"C7H10O6"	"190.0477"	"M+K+CF3COOH"	152.95602
"813167"	195.0532	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M"	0
"980138"	176.03481	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-H2O-H"	-19.01839
"72755"	129.028190666667	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M-3H"	-3.021828
"506848"	194.045924	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M-3H"	-3.021828
"884650"	64.0104573333333	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-3H"	-3.021828
"11972"	194.045924	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M-2H"	-2.014552
"455178"	291.572524	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M-2H"	-2.014552
"831766"	96.519324	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-2H"	-2.014552
"89330"	389.099124	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M-H"	-1.007276
"529983"	584.152324	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M-H"	-1.007276
"907785"	194.045924	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-H"	-1.007276
"56694"	406.125671	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M-2H+NH4"	16.019271
"494067"	601.178871	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M-2H+NH4"	16.019271
"866402"	211.072471	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-2H+NH4"	16.019271
"36489"	411.081066	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M-2H+Na"	20.974666
"480423"	606.134266	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M-2H+Na"	20.974666
"850934"	216.027866	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-2H+Na"	20.974666
"1628852"	216.027866	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Na-2H"	20.974666
"106480"	212.034263	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M-H+Cl"	33.962126
"547744"	309.560863	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M-H+Cl"	33.962126
"941503"	114.507663	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-H+Cl"	33.962126
"270465"	425.075802	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+Cl"	34.969402
"669446"	620.129002	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+Cl"	34.969402
"1285130"	230.022602	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Cl"	34.969402
"25498"	427.055006	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M-2H+K"	36.948606
"468340"	622.108206	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M-2H+K"	36.948606
"845049"	232.001806	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-2H+K"	36.948606
"1566348"	232.001806	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+K-2H"	36.948606
"955690"	240.051394	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-H+HCOOH"	44.998194
"373538"	435.104601	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+HCOOH-H"	44.998201
"359246"	449.120251	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+Hac-H"	59.013851
"1501881"	254.067051	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Hac-H"	59.013851
"973561"	262.033351	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-H+NaCOOH"	66.980151
"124170"	230.022602	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+2Cl"	69.938804
"565398"	327.549202	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+2Cl"	69.938804
"1034347"	132.496002	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2Cl"	69.938804
"1256115"	273.972085	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Br"	78.918885
"1319293"	276.028072	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Cl+HCOOH"	80.974872
"1334729"	298.010029	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Cl+NaCOOH"	102.956829
"926393"	308.038786	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M-H+CF3COOH"	112.985586
"1300545"	344.015464	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Cl+CF3COOH"	148.962264
"1381624"	160.040524	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H-2H2O"	-35.012676
"1391830"	178.0505	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H-H2O"	-17.0027
"294799"	391.113676	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+H"	1.007276
"690501"	586.166876	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+H"	1.007276
"1364663"	196.060476	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H"	1.007276
"138657"	196.060476	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+2H"	2.014552
"576028"	293.587076	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+2H"	2.014552
"1048840"	98.533876	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2H"	2.014552
"213824"	131.042742666667	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+3H"	3.021828
"653390"	196.060476	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+3H"	3.021828
"1168236"	66.0250093333333	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+3H"	3.021828
"430414"	408.140223	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+NH4"	18.033823
"793594"	603.193423	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+NH4"	18.033823
"1685551"	213.087023	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+NH4"	18.033823
"333464"	204.5737495	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+H+NH4"	19.041099
"724793"	302.1003495	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+H+NH4"	19.041099
"1478977"	107.0471495	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H+NH4"	19.041099
"395471"	413.095618	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+Na"	22.989218
"757559"	608.148818	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+Na"	22.989218
"1604565"	218.042418	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Na"	22.989218
"320069"	207.051447	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+H+Na"	23.996494
"710303"	304.578047	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+H+Na"	23.996494
"1469590"	109.524847	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H+Na"	23.996494
"1062832"	73.3523233333333	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2H+Na"	25.00377
"1269981"	228.086686	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+CH3OH+H"	33.033486
"390379"	429.069558	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+K"	38.963158
"750642"	624.122758	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+K"	38.963158
"1545056"	234.016358	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+K"	38.963158
"301136"	215.038417	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+H+K"	39.970434
"695744"	312.565017	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+H+K"	39.970434
"1456128"	117.511817	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H+K"	39.970434
"247643"	432.140226	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+ACN+H"	42.033826
"1223998"	237.087026	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+ACN+H"	42.033826
"1208490"	119.047151	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+ACN+2H"	43.041102
"202938"	435.07756	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+2Na-H"	44.97116
"639214"	630.13076	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+2Na-H"	44.97116
"1141626"	240.02436	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2Na-H"	44.97116
"182364"	218.042418	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+2Na"	45.978436
"623382"	315.569018	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+2Na"	45.978436
"1122513"	120.515818	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2Na"	45.978436
"1403849"	80.6796373333333	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H+2Na"	46.985712
"1443749"	242.065946	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H+HCOOH"	47.012746
"231132"	223.07544	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+3H2O+2H"	56.04448
"1524023"	256.11799	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+IsoProp+H"	61.06479
"423389"	226.029388	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+Na+K"	61.952376
"782079"	323.555988	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+Na+K"	61.952376
"1676953"	128.502788	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Na+K"	61.952376
"263838"	454.122168	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+ACN+Na"	64.015768
"1240314"	259.068968	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+ACN+Na"	64.015768
"1727010"	259.092493	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+NH4+HCOOH"	64.039293
"1191512"	88.0069513333333	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+3Na"	68.967654
"1662497"	264.047888	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Na+HCOOH"	68.994688
"170811"	467.02544	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+2K-H"	76.91904
"609284"	662.07864	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+2K-H"	76.91904
"1092711"	271.97224	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2K-H"	76.91904
"148434"	234.016358	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"2M+2K"	77.926316
"583982"	331.542958	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"3M+2K"	77.926316
"1073599"	136.489758	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2K"	77.926316
"1105716"	273.986792	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2K+H"	78.933592
"1349635"	274.074407	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+DMSO+H"	79.021207
"1019381"	278.113576	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2ACN+H"	83.060376
"1539453"	279.107208	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+IsoProp+Na+H"	84.054008
"1004563"	139.560426	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+2ACN+2H"	84.067652
"1600642"	280.021828	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+K+HCOOH"	84.968628
"1427394"	310.053338	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+H+CF3COOH"	115.000138
"1160959"	160.073701	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+3ACN+2H"	125.094202
"1702860"	327.079885	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+NH4+CF3COOH"	132.026685
"1640696"	332.03528	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+Na+CF3COOH"	136.98208
"1582908"	348.00922	"C05604"	"2-Carboxy-23-dihydro-56-dihydroxyindole;Leucodopachrome;cyclo-Dopa"	"C9H9NO4"	"195.0532"	"M+K+CF3COOH"	152.95602
"812184"	166.063	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M"	0
"988998"	147.04461	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"72865"	109.701390666667	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"513519"	165.055724	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"891320"	54.3470573333333	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"12081"	165.055724	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"455591"	248.087224	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"831274"	82.024224	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"89442"	331.118724	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"530095"	497.181724	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"898419"	165.055724	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"53524"	348.145271	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"490895"	514.208271	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"866752"	182.082271	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"34412"	353.100666	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"472755"	519.163666	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"851774"	187.037666	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1632006"	187.037666	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"108536"	183.044063	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"546888"	266.075563	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"932018"	100.012563	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"278230"	367.095402	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"671744"	533.158402	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1283054"	201.032402	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"29619"	369.074606	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"467357"	535.137606	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"846985"	203.011606	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1569741"	203.011606	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"957625"	211.061194	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"374746"	377.124201	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"360695"	391.139851	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1506733"	225.076851	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"974074"	233.043151	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"121731"	201.032402	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"565463"	284.063902	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1036409"	118.000902	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1256590"	244.981885	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1318673"	247.037872	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1330701"	269.019829	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"923947"	279.048586	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1302118"	315.025264	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1380277"	131.050324	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1395221"	149.0603	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"296000"	333.133276	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"689155"	499.196276	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1354939"	167.070276	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H"	1.007276
"133295"	167.070276	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"579419"	250.101776	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1046033"	84.038776	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"207377"	111.715942666667	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"647301"	167.070276	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1167249"	56.3616093333333	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"430523"	350.159823	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"789332"	516.222823	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1683473"	184.096823	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"332114"	175.5835495	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"725629"	258.6150495	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1478719"	92.5520495	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"399951"	355.115218	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"760949"	521.178218	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1612327"	189.052218	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"325644"	178.061247	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"721342"	261.092747	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1472977"	95.029747	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1065133"	63.6889233333333	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1269365"	199.096486	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"390125"	371.089158	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"739340"	537.152158	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1541885"	205.026158	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+K"	38.963158
"300883"	186.048217	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"702783"	269.079717	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1456236"	103.016717	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"247391"	374.159826	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1222286"	208.096826	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1208721"	104.552051	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"203782"	377.09716	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"641511"	543.16016	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1143923"	211.03416	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"181745"	189.052218	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"620211"	272.083718	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1119706"	106.020718	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1411997"	71.0162373333333	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1444470"	213.075746	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"233445"	194.08524	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1522359"	227.12779	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"420831"	197.039188	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"782918"	280.070688	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1679493"	114.007688	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"265407"	396.141768	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1238479"	230.078768	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1727242"	230.102293	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1191258"	78.3435513333333	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1661880"	235.057688	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"170934"	409.04504	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"605027"	575.10804	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1088446"	242.98204	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"142710"	205.026158	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"582876"	288.057658	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1072615"	121.994658	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1111292"	244.996592	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1350475"	245.084207	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1020221"	249.123376	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1539442"	250.117008	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"1005160"	125.065326	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1602334"	251.031628	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1424222"	281.063138	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1149044"	145.578601	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1702968"	298.089685	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1640806"	303.04508	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1576457"	319.01902	"C05607"	"Phenyllactate;(R)-Phenyllactate"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"813023"	148.0524	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M"	0
"989108"	129.03401	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-H2O-H"	-19.01839
"72975"	97.694324	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M-3H"	-3.021828
"513629"	147.045124	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M-3H"	-3.021828
"884870"	48.343524	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-3H"	-3.021828
"12191"	147.045124	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M-2H"	-2.014552
"452482"	221.071324	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M-2H"	-2.014552
"831872"	73.018924	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-2H"	-2.014552
"92346"	295.097524	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M-H"	-1.007276
"530203"	443.149924	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M-H"	-1.007276
"908007"	147.045124	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-H"	-1.007276
"60196"	312.124071	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M-2H+NH4"	16.019271
"494289"	460.176471	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M-2H+NH4"	16.019271
"867715"	164.071671	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-2H+NH4"	16.019271
"34521"	317.079466	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M-2H+Na"	20.974666
"477364"	465.131866	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M-2H+Na"	20.974666
"851885"	169.027066	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-2H+Na"	20.974666
"1631996"	169.027066	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Na-2H"	20.974666
"109375"	165.033463	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M-H+Cl"	33.962126
"548699"	239.059663	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M-H+Cl"	33.962126
"933222"	91.007263	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-H+Cl"	33.962126
"278339"	331.074202	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+Cl"	34.969402
"670761"	479.126602	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+Cl"	34.969402
"1284988"	183.021802	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Cl"	34.969402
"29368"	333.053406	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M-2H+K"	36.948606
"470021"	481.105806	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M-2H+K"	36.948606
"848233"	185.001006	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-2H+K"	36.948606
"1570581"	185.001006	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+K-2H"	36.948606
"956640"	193.050594	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-H+HCOOH"	44.998194
"376314"	341.103001	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+HCOOH-H"	44.998201
"359833"	355.118651	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+Hac-H"	59.013851
"1506844"	207.066251	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Hac-H"	59.013851
"973537"	215.032551	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-H+NaCOOH"	66.980151
"124391"	183.021802	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+2Cl"	69.938804
"565288"	257.048002	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+2Cl"	69.938804
"1036026"	108.995602	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2Cl"	69.938804
"1256824"	226.971285	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Br"	78.918885
"1315500"	229.027272	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Cl+HCOOH"	80.974872
"1330811"	251.009229	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Cl+NaCOOH"	102.956829
"924057"	261.037986	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M-H+CF3COOH"	112.985586
"1303972"	297.014664	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Cl+CF3COOH"	148.962264
"1378928"	113.039724	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H-2H2O"	-35.012676
"1395331"	131.0497	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H-H2O"	-17.0027
"295017"	297.112076	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+H"	1.007276
"688901"	445.164476	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+H"	1.007276
"1358331"	149.059676	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H"	1.007276
"138875"	149.059676	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+2H"	2.014552
"576249"	223.085876	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+2H"	2.014552
"1046143"	75.033476	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2H"	2.014552
"217326"	99.708876	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+3H"	3.021828
"650328"	149.059676	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+3H"	3.021828
"1168454"	50.358076	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+3H"	3.021828
"429539"	314.138623	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+NH4"	18.033823
"789442"	462.191023	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+NH4"	18.033823
"1684676"	166.086223	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+NH4"	18.033823
"333320"	157.5729495	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+H+NH4"	19.041099
"724648"	231.5991495	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+H+NH4"	19.041099
"1480290"	83.5467495	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H+NH4"	19.041099
"398971"	319.094018	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+Na"	22.989218
"762152"	467.146418	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+Na"	22.989218
"1614623"	171.041618	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Na"	22.989218
"320287"	160.050647	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+H+Na"	23.996494
"714896"	234.076847	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+H+Na"	23.996494
"1468718"	86.024447	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H+Na"	23.996494
"1064150"	57.68539	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2H+Na"	25.00377
"1269108"	181.085886	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+CH3OH+H"	33.033486
"387684"	335.067958	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+K"	38.963158
"742128"	483.120358	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+K"	38.963158
"1541628"	187.015558	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+K"	38.963158
"302450"	168.037617	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+H+K"	39.970434
"699245"	242.063817	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+H+K"	39.970434
"1456344"	94.011417	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H+K"	39.970434
"248227"	338.138626	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+ACN+H"	42.033826
"1223123"	190.086226	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+ACN+H"	42.033826
"1208827"	95.546751	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+ACN+2H"	43.041102
"202060"	341.07596	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+2Na-H"	44.97116
"642714"	489.12836	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+2Na-H"	44.97116
"1142940"	193.02356	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2Na-H"	44.97116
"181854"	171.041618	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+2Na"	45.978436
"615580"	245.067818	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+2Na"	45.978436
"1119450"	97.015418	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2Na"	45.978436
"1413442"	65.012704	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H+2Na"	46.985712
"1443482"	195.065146	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H+HCOOH"	47.012746
"235015"	176.07464	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+3H2O+2H"	56.04448
"1523440"	209.11719	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+IsoProp+H"	61.06479
"423371"	179.028588	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+Na+K"	61.952376
"784973"	253.054788	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+Na+K"	61.952376
"1681102"	105.002388	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Na+K"	61.952376
"266852"	360.120568	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+ACN+Na"	64.015768
"1240169"	212.068168	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+ACN+Na"	64.015768
"1727839"	212.091693	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+NH4+HCOOH"	64.039293
"1192096"	72.340018	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+3Na"	68.967654
"1661261"	217.047088	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Na+HCOOH"	68.994688
"171043"	373.02384	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+2K-H"	76.91904
"604043"	521.07624	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+2K-H"	76.91904
"1089649"	224.97144	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2K-H"	76.91904
"142456"	187.015558	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"2M+2K"	77.926316
"584931"	261.041758	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"3M+2K"	77.926316
"1073818"	112.989358	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2K"	77.926316
"1113590"	226.985992	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2K+H"	78.933592
"1351201"	227.073607	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+DMSO+H"	79.021207
"1021272"	231.112776	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2ACN+H"	83.060376
"1539817"	232.106408	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+IsoProp+Na+H"	84.054008
"1005512"	116.060026	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+2ACN+2H"	84.067652
"1600858"	233.021028	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+K+HCOOH"	84.968628
"1425426"	263.052538	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+H+CF3COOH"	115.000138
"1150248"	136.573301	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+3ACN+2H"	125.094202
"1705265"	280.079085	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+NH4+CF3COOH"	132.026685
"1640916"	285.03448	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+Na+CF3COOH"	136.98208
"1576567"	301.00842	"C05608"	"4-Hydroxycinnamyl aldehyde;p-Coumaraldehyde"	"C9H8O2"	"148.0524"	"M+K+CF3COOH"	152.95602
"806935"	208.0736	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M"	0
"983749"	189.05521	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-H2O-H"	-19.01839
"76365"	137.708457333333	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M-3H"	-3.021828
"513739"	207.066324	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M-3H"	-3.021828
"893726"	68.3505906666667	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-3H"	-3.021828
"12301"	207.066324	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M-2H"	-2.014552
"455471"	311.103124	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M-2H"	-2.014552
"832634"	103.029524	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-2H"	-2.014552
"93961"	415.139924	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M-H"	-1.007276
"532988"	623.213524	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M-H"	-1.007276
"908117"	207.066324	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-H"	-1.007276
"57026"	432.166471	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M-2H+NH4"	16.019271
"495492"	640.240071	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M-2H+NH4"	16.019271
"871105"	224.092871	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-2H+NH4"	16.019271
"35725"	437.121866	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M-2H+Na"	20.974666
"475287"	645.195466	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M-2H+Na"	20.974666
"853088"	229.048266	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-2H+Na"	20.974666
"1629186"	229.048266	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Na-2H"	20.974666
"106809"	225.054663	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M-H+Cl"	33.962126
"549496"	329.091463	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M-H+Cl"	33.962126
"936612"	121.017863	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-H+Cl"	33.962126
"280880"	451.116602	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+Cl"	34.969402
"672331"	659.190202	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+Cl"	34.969402
"1285462"	243.043002	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Cl"	34.969402
"30411"	453.095806	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M-2H+K"	36.948606
"470133"	661.169406	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M-2H+K"	36.948606
"846475"	245.022206	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-2H+K"	36.948606
"1570571"	245.022206	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+K-2H"	36.948606
"958447"	253.071794	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-H+HCOOH"	44.998194
"376914"	461.145401	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+HCOOH-H"	44.998201
"360837"	475.161051	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+Hac-H"	59.013851
"1506588"	267.087451	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Hac-H"	59.013851
"972672"	275.053751	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-H+NaCOOH"	66.980151
"124137"	243.043002	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+2Cl"	69.938804
"565317"	347.079802	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+2Cl"	69.938804
"1036791"	139.006202	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2Cl"	69.938804
"1256990"	286.992485	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Br"	78.918885
"1318528"	289.048472	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Cl+HCOOH"	80.974872
"1334566"	311.030429	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Cl+NaCOOH"	102.956829
"924897"	321.059186	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M-H+CF3COOH"	112.985586
"1303964"	357.035864	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Cl+CF3COOH"	148.962264
"1381224"	173.060924	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H-2H2O"	-35.012676
"1398243"	191.0709	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H-H2O"	-17.0027
"298376"	417.154476	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+H"	1.007276
"691244"	625.228076	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+H"	1.007276
"1362814"	209.080876	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H"	1.007276
"137528"	209.080876	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+2H"	2.014552
"574173"	313.117676	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+2H"	2.014552
"1045160"	105.044076	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2H"	2.014552
"217071"	139.723009333333	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+3H"	3.021828
"655906"	209.080876	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+3H"	3.021828
"1170752"	70.3651426666667	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+3H"	3.021828
"432928"	434.181023	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+NH4"	18.033823
"791739"	642.254623	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+NH4"	18.033823
"1685881"	226.107423	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+NH4"	18.033823
"335253"	217.5941495	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+H+NH4"	19.041099
"728767"	321.6309495	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+H+NH4"	19.041099
"1482588"	113.5573495	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H+NH4"	19.041099
"401269"	439.136418	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+Na"	22.989218
"765543"	647.210018	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+Na"	22.989218
"1611456"	231.062818	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Na"	22.989218
"323678"	220.071847	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+H+Na"	23.996494
"716099"	324.108647	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+H+Na"	23.996494
"1469920"	116.035047	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H+Na"	23.996494
"1064627"	77.6924566666667	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2H+Na"	25.00377
"1270314"	241.107086	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+CH3OH+H"	33.033486
"388888"	455.110358	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+K"	38.963158
"745517"	663.183958	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+K"	38.963158
"1542103"	247.036758	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+K"	38.963158
"300373"	228.058817	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+H+K"	39.970434
"700449"	332.095617	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+H+K"	39.970434
"1456455"	124.022017	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H+K"	39.970434
"249065"	458.181026	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+ACN+H"	42.033826
"1223233"	250.107426	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+ACN+H"	42.033826
"1208573"	125.557351	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+ACN+2H"	43.041102
"203752"	461.11836	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+2Na-H"	44.97116
"641731"	669.19196	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+2Na-H"	44.97116
"1145966"	253.04476	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2Na-H"	44.97116
"186703"	231.062818	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+2Na"	45.978436
"625169"	335.099618	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+2Na"	45.978436
"1122841"	127.026018	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2Na"	45.978436
"1414000"	85.0197706666667	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H+2Na"	46.985712
"1445578"	255.086346	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H+HCOOH"	47.012746
"235528"	236.09584	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+3H2O+2H"	56.04448
"1523797"	269.13839	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+IsoProp+H"	61.06479
"423604"	239.049788	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+Na+K"	61.952376
"785448"	343.086588	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+Na+K"	61.952376
"1680930"	135.012988	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Na+K"	61.952376
"266601"	480.162968	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+ACN+Na"	64.015768
"1241051"	272.089368	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+ACN+Na"	64.015768
"1727945"	272.112893	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+NH4+HCOOH"	64.039293
"1192570"	92.3470846666667	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+3Na"	68.967654
"1663557"	277.068288	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Na+HCOOH"	68.994688
"172250"	493.06624	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+2K-H"	76.91904
"609622"	701.13984	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+2K-H"	76.91904
"1094135"	284.99264	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2K-H"	76.91904
"145481"	247.036758	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"2M+2K"	77.926316
"586135"	351.073558	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"3M+2K"	77.926316
"1076115"	142.999958	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2K"	77.926316
"1110419"	287.007192	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2K+H"	78.933592
"1347898"	287.094807	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+DMSO+H"	79.021207
"1020850"	291.133976	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2ACN+H"	83.060376
"1539628"	292.127608	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+IsoProp+Na+H"	84.054008
"1005012"	146.070626	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+2ACN+2H"	84.067652
"1602557"	293.042228	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+K+HCOOH"	84.968628
"1426629"	323.073738	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+H+CF3COOH"	115.000138
"1152542"	166.583901	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+3ACN+2H"	125.094202
"1705375"	340.100285	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+NH4+CF3COOH"	132.026685
"1639932"	345.05568	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+Na+CF3COOH"	136.98208
"1576677"	361.02962	"C05610"	"Sinapoyl aldehyde;Sinapaldehyde"	"C11H12O4"	"208.0736"	"M+K+CF3COOH"	152.95602
"803766"	136.0524	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M"	0
"980579"	117.03401	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"73195"	89.694324	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"510569"	135.045124	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"888370"	44.343524	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"12048"	135.045124	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"449787"	203.071324	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"832210"	67.018924	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"90868"	271.097524	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"533102"	407.149924	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"904947"	135.045124	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"58230"	288.124071	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"497789"	424.176471	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"871216"	152.071671	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"35836"	293.079466	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"475398"	429.131866	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"855386"	157.027066	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1626016"	157.027066	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"102545"	153.033463	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"549647"	221.059663	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"936723"	85.007263	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"279654"	307.074202	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"669889"	443.126602	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1282292"	171.021802	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"28131"	309.053406	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"469148"	445.105806	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"844766"	173.001006	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1568982"	173.001006	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"956858"	181.050594	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"375440"	317.103001	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"358958"	331.118651	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1505968"	195.066251	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"970594"	203.032551	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"118770"	171.021802	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"564531"	239.048002	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1033693"	102.995602	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1256189"	214.971285	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1313532"	217.027272	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1329935"	239.009229	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"917716"	249.037986	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1301716"	285.014664	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1374774"	101.039724	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1396281"	119.0497	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"295237"	273.112076	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"691273"	409.164476	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1364385"	137.059676	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"138005"	137.059676	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"576471"	205.085876	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1048189"	69.033476	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"212084"	91.708876	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"652737"	137.059676	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1166490"	46.358076	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"428666"	290.138623	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"788569"	426.191023	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1684171"	154.086223	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"331355"	145.5729495	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"723407"	213.5991495	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1480146"	77.5467495	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"400285"	295.094018	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"762372"	431.146418	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1611565"	159.041618	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"322696"	148.050647	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"717301"	216.076847	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1472215"	80.024447	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1062177"	53.68539	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1264953"	169.085886	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"388268"	311.067958	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"747814"	447.120358	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1547681"	175.015558	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"304128"	156.037617	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"700557"	224.063817	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1455471"	88.011417	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"247353"	314.138626	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1221156"	178.086226	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1206130"	89.546751	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"196813"	317.07596	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"638560"	453.12836	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1143889"	181.02356	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"182803"	159.041618	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"621633"	227.067818	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1120765"	91.015418	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1402099"	61.012704	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1445082"	183.065146	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"234134"	164.07464	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1524160"	197.11719	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"424106"	167.028588	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"785236"	235.054788	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1679942"	99.002388	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"266707"	336.120568	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1241215"	200.068168	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1726594"	200.091693	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1191583"	68.340018	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1660022"	205.047088	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"172728"	349.02384	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"604265"	485.07624	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1094245"	212.97144	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"147779"	175.015558	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"587338"	243.041758	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1077320"	106.989358	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1108341"	214.985992	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1351234"	215.073607	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1021165"	219.112776	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1539807"	220.106408	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"1005201"	110.060026	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1601082"	221.021028	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1429710"	251.052538	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1153748"	130.573301	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1705485"	268.079085	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1640042"	273.03448	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1576787"	289.00842	"C05613"	"Benzylformate"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"803876"	184.0372	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M"	0
"975221"	165.01881	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-H2O-H"	-19.01839
"66744"	121.684190666667	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M-3H"	-3.021828
"513957"	183.029924	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M-3H"	-3.021828
"888480"	60.3384573333333	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-3H"	-3.021828
"5962"	183.029924	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M-2H"	-2.014552
"448804"	275.048524	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M-2H"	-2.014552
"831836"	91.011324	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-2H"	-2.014552
"91704"	367.067124	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M-H"	-1.007276
"529443"	551.104324	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M-H"	-1.007276
"898495"	183.029924	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-H"	-1.007276
"49954"	384.093671	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M-2H+NH4"	16.019271
"494618"	568.130871	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M-2H+NH4"	16.019271
"871325"	200.056471	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-2H+NH4"	16.019271
"34854"	389.049066	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M-2H+Na"	20.974666
"475507"	573.086266	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M-2H+Na"	20.974666
"862793"	205.011866	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-2H+Na"	20.974666
"1628316"	205.011866	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Na-2H"	20.974666
"107037"	201.018263	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M-H+Cl"	33.962126
"546595"	293.036863	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M-H+Cl"	33.962126
"937927"	108.999663	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-H+Cl"	33.962126
"279761"	403.043802	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+Cl"	34.969402
"672186"	587.081002	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+Cl"	34.969402
"1285680"	219.006602	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Cl"	34.969402
"28241"	405.023006	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M-2H+K"	36.948606
"468895"	589.060206	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M-2H+K"	36.948606
"847424"	220.985806	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-2H+K"	36.948606
"1570909"	220.985806	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+K-2H"	36.948606
"956969"	229.035394	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-H+HCOOH"	44.998194
"375549"	413.072601	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+HCOOH-H"	44.998201
"357973"	427.088251	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+Hac-H"	59.013851
"1503161"	243.051051	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Hac-H"	59.013851
"971798"	251.017351	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-H+NaCOOH"	66.980151
"117787"	219.006602	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+2Cl"	69.938804
"562453"	311.025202	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+2Cl"	69.938804
"1035626"	126.988002	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2Cl"	69.938804
"1256300"	262.956085	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Br"	78.918885
"1316923"	265.012072	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Cl+HCOOH"	80.974872
"1325670"	286.994029	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Cl+NaCOOH"	102.956829
"925478"	297.022786	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M-H+CF3COOH"	112.985586
"1293440"	332.999464	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Cl+CF3COOH"	148.962264
"1371599"	149.024524	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H-2H2O"	-35.012676
"1385820"	167.0345	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H-H2O"	-17.0027
"285506"	369.081676	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+H"	1.007276
"686689"	553.118876	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+H"	1.007276
"1360848"	185.044476	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H"	1.007276
"134834"	185.044476	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+2H"	2.014552
"577313"	277.063076	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+2H"	2.014552
"1049028"	93.025876	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2H"	2.014552
"212193"	123.698742666667	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+3H"	3.021828
"649565"	185.044476	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+3H"	3.021828
"1170971"	62.3530093333333	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+3H"	3.021828
"429868"	386.108223	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+NH4"	18.033823
"790866"	570.145423	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+NH4"	18.033823
"1687197"	202.071023	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+NH4"	18.033823
"334381"	193.5577495	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+H+NH4"	19.041099
"730080"	285.5763495	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+H+NH4"	19.041099
"1484994"	101.5391495	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H+NH4"	19.041099
"397115"	391.063618	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+Na"	22.989218
"761392"	575.100818	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+Na"	22.989218
"1610582"	207.026418	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Na"	22.989218
"322805"	196.035447	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+H+Na"	23.996494
"713039"	288.054047	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+H+Na"	23.996494
"1471232"	104.016847	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H+Na"	23.996494
"1057916"	69.6803233333333	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2H+Na"	25.00377
"1268347"	217.070686	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+CH3OH+H"	33.033486
"384743"	407.037558	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+K"	38.963158
"744646"	591.074758	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+K"	38.963158
"1548885"	223.000358	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+K"	38.963158
"310433"	204.022417	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+H+K"	39.970434
"699575"	296.041017	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+H+K"	39.970434
"1456311"	112.003817	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H+K"	39.970434
"247098"	410.108226	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+ACN+H"	42.033826
"1220900"	226.071026	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+ACN+H"	42.033826
"1202960"	113.539151	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+ACN+2H"	43.041102
"202395"	413.04556	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+2Na-H"	44.97116
"640130"	597.08276	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+2Na-H"	44.97116
"1142541"	229.00836	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2Na-H"	44.97116
"181091"	207.026418	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+2Na"	45.978436
"617370"	299.045018	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+2Na"	45.978436
"1121968"	115.007818	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2Na"	45.978436
"1412796"	77.0076373333333	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H+2Na"	46.985712
"1442361"	231.049946	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H+HCOOH"	47.012746
"233151"	212.05944	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+3H2O+2H"	56.04448
"1521949"	245.10199	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+IsoProp+H"	61.06479
"422725"	215.013388	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+Na+K"	61.952376
"782262"	307.031988	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+Na+K"	61.952376
"1677500"	122.994788	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Na+K"	61.952376
"266206"	432.090168	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+ACN+Na"	64.015768
"1240374"	248.052968	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+ACN+Na"	64.015768
"1726708"	248.076493	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+NH4+HCOOH"	64.039293
"1194118"	84.3349513333333	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+3Na"	68.967654
"1664143"	253.031888	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Na+HCOOH"	68.994688
"160440"	444.99344	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+2K-H"	76.91904
"601093"	629.03064	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+2K-H"	76.91904
"1088883"	260.95624	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2K-H"	76.91904
"145703"	223.000358	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"2M+2K"	77.926316
"588541"	315.018958	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"3M+2K"	77.926316
"1079618"	130.981758	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2K"	77.926316
"1115552"	262.970792	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2K+H"	78.933592
"1351183"	263.058407	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+DMSO+H"	79.021207
"1021234"	267.097576	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2ACN+H"	83.060376
"1538054"	268.091208	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+IsoProp+Na+H"	84.054008
"1005108"	134.052426	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+2ACN+2H"	84.067652
"1599731"	269.005828	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+K+HCOOH"	84.968628
"1421382"	299.037338	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+H+CF3COOH"	115.000138
"1151671"	154.565701	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+3ACN+2H"	125.094202
"1699032"	316.063885	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+NH4+CF3COOH"	132.026685
"1637966"	321.01928	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+Na+CF3COOH"	136.98208
"1586740"	336.99322	"C05616"	"3-O-Methylgallate;3-O-Methylgallic acid"	"C8H8O5"	"184.0372"	"M+K+CF3COOH"	152.95602
"813829"	143.9978	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M"	0
"986268"	124.97941	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H2O-H"	-19.01839
"70135"	94.9912573333333	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-3H"	-3.021828
"507508"	142.990524	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-3H"	-3.021828
"885310"	46.9919906666667	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-3H"	-3.021828
"6072"	142.990524	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H"	-2.014552
"452194"	214.989424	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H"	-2.014552
"831092"	70.991624	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H"	-2.014552
"92056"	286.988324	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-H"	-1.007276
"529550"	430.986124	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-H"	-1.007276
"907354"	142.990524	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H"	-1.007276
"48481"	304.014871	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H+NH4"	16.019271
"492541"	448.012671	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H+NH4"	16.019271
"869612"	160.017071	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H+NH4"	16.019271
"35691"	308.970266	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H+Na"	20.974666
"472209"	452.968066	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H+Na"	20.974666
"859987"	164.972466	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H+Na"	20.974666
"1628426"	164.972466	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na-2H"	20.974666
"107148"	160.978863	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-H+Cl"	33.962126
"546341"	232.977763	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-H+Cl"	33.962126
"938036"	88.979963	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+Cl"	33.962126
"278782"	322.965002	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Cl"	34.969402
"672296"	466.962802	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+Cl"	34.969402
"1283607"	178.967202	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl"	34.969402
"27255"	324.944206	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M-2H+K"	36.948606
"467907"	468.942006	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M-2H+K"	36.948606
"845711"	180.946406	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-2H+K"	36.948606
"1569687"	180.946406	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K-2H"	36.948606
"954898"	188.995994	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+HCOOH"	44.998194
"374567"	332.993801	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+HCOOH-H"	44.998201
"355902"	347.009451	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Hac-H"	59.013851
"1502548"	203.011651	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Hac-H"	59.013851
"970815"	210.977951	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+NaCOOH"	66.980151
"120091"	178.967202	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2Cl"	69.938804
"562929"	250.966102	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2Cl"	69.938804
"1034889"	106.968302	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2Cl"	69.938804
"1254951"	222.916685	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Br"	78.918885
"1314846"	224.972672	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl+HCOOH"	80.974872
"1334290"	246.954629	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl+NaCOOH"	102.956829
"916843"	256.983386	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M-H+CF3COOH"	112.985586
"1293550"	292.960064	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Cl+CF3COOH"	148.962264
"1371711"	108.985124	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H-2H2O"	-35.012676
"1392493"	126.9951	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H-H2O"	-17.0027
"288897"	289.002876	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H"	1.007276
"685706"	433.000676	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H"	1.007276
"1357679"	145.005076	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H"	1.007276
"134944"	145.005076	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2H"	2.014552
"578881"	217.003976	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2H"	2.014552
"1046954"	73.006176	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2H"	2.014552
"212304"	97.0058093333333	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+3H"	3.021828
"655143"	145.005076	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+3H"	3.021828
"1172175"	49.0065426666667	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+3H"	3.021828
"435446"	306.029423	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+NH4"	18.033823
"790976"	450.027223	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+NH4"	18.033823
"1688400"	162.031623	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+NH4"	18.033823
"335585"	153.5183495	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H+NH4"	19.041099
"732377"	225.5172495	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H+NH4"	19.041099
"1485104"	81.5194495	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+NH4"	19.041099
"400506"	310.984818	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Na"	22.989218
"764781"	454.982618	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+Na"	22.989218
"1609599"	166.987018	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na"	22.989218
"324008"	155.996047	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H+Na"	23.996494
"715337"	227.994947	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H+Na"	23.996494
"1471342"	83.997147	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+Na"	23.996494
"1059119"	56.3338566666667	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2H+Na"	25.00377
"1268457"	177.031286	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+CH3OH+H"	33.033486
"382667"	326.958758	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+K"	38.963158
"744756"	470.956558	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+K"	38.963158
"1551182"	182.960958	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K"	38.963158
"309451"	163.983017	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+H+K"	39.970434
"699684"	235.981917	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+H+K"	39.970434
"1455328"	91.984117	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+K"	39.970434
"249032"	330.029426	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+ACN+H"	42.033826
"1223197"	186.031626	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+ACN+H"	42.033826
"1203070"	93.519451	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+ACN+2H"	43.041102
"202503"	332.96676	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2Na-H"	44.97116
"640240"	476.96456	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2Na-H"	44.97116
"1143744"	188.96896	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2Na-H"	44.97116
"181201"	166.987018	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2Na"	45.978436
"617480"	238.985918	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2Na"	45.978436
"1124264"	94.988118	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2Na"	45.978436
"1402320"	63.6611706666667	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+2Na"	46.985712
"1444294"	191.010546	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+HCOOH"	47.012746
"233990"	172.02004	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+3H2O+2H"	56.04448
"1519873"	205.06259	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+IsoProp+H"	61.06479
"421742"	174.973988	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+Na+K"	61.952376
"782737"	246.972888	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+Na+K"	61.952376
"1679066"	102.975088	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na+K"	61.952376
"263765"	352.011368	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+ACN+Na"	64.015768
"1239755"	208.013568	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+ACN+Na"	64.015768
"1724631"	208.037093	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+NH4+HCOOH"	64.039293
"1194132"	70.9884846666667	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+3Na"	68.967654
"1665391"	212.992488	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na+HCOOH"	68.994688
"170391"	364.91464	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2K-H"	76.91904
"601931"	508.91244	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2K-H"	76.91904
"1087176"	220.91684	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2K-H"	76.91904
"145084"	182.960958	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"2M+2K"	77.926316
"587558"	254.959858	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"3M+2K"	77.926316
"1079727"	110.962058	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2K"	77.926316
"1107468"	222.931392	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2K+H"	78.933592
"1344948"	223.019007	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+DMSO+H"	79.021207
"1020936"	227.058176	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2ACN+H"	83.060376
"1539587"	228.051808	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+IsoProp+Na+H"	84.054008
"1003513"	114.032726	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+2ACN+2H"	84.067652
"1596924"	228.966428	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K+HCOOH"	84.968628
"1421489"	258.997938	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+H+CF3COOH"	115.000138
"1152872"	134.546001	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+3ACN+2H"	125.094202
"1705707"	276.024485	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+NH4+CF3COOH"	132.026685
"1640263"	280.97988	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+Na+CF3COOH"	136.98208
"1586850"	296.95382	"C05618"	"3-Chlorocatechol"	"C6H5ClO2"	"143.9978"	"M+K+CF3COOH"	152.95602
"813938"	210.0528	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M"	0
"989293"	191.03441	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-H2O-H"	-19.01839
"73525"	139.027924	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M-3H"	-3.021828
"508711"	209.045524	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M-3H"	-3.021828
"888700"	69.010324	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-3H"	-3.021828
"12378"	209.045524	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M-2H"	-2.014552
"452304"	314.071924	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M-2H"	-2.014552
"832683"	104.019124	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-2H"	-2.014552
"94074"	419.098324	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M-H"	-1.007276
"533838"	629.151124	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M-H"	-1.007276
"910950"	209.045524	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-H"	-1.007276
"52362"	436.124871	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M-2H+NH4"	16.019271
"498118"	646.177671	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M-2H+NH4"	16.019271
"875919"	226.072071	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-2H+NH4"	16.019271
"37261"	441.080266	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M-2H+Na"	20.974666
"474629"	651.133066	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M-2H+Na"	20.974666
"860097"	231.027466	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-2H+Na"	20.974666
"1627443"	231.027466	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Na-2H"	20.974666
"109203"	227.033863	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M-H+Cl"	33.962126
"548274"	332.060263	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M-H+Cl"	33.962126
"941671"	122.007463	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-H+Cl"	33.962126
"280716"	455.075002	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+Cl"	34.969402
"672408"	665.127802	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+Cl"	34.969402
"1284810"	245.022202	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Cl"	34.969402
"29435"	457.054206	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M-2H+K"	36.948606
"468018"	667.107006	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M-2H+K"	36.948606
"845458"	247.001406	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-2H+K"	36.948606
"1569672"	247.001406	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+K-2H"	36.948606
"953914"	255.050994	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-H+HCOOH"	44.998194
"373219"	465.103801	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+HCOOH-H"	44.998201
"357105"	479.119451	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+Hac-H"	59.013851
"1502658"	269.066651	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Hac-H"	59.013851
"972382"	277.032951	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-H+NaCOOH"	66.980151
"123116"	245.022202	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+2Cl"	69.938804
"563038"	350.048602	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+2Cl"	69.938804
"1032932"	139.995802	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2Cl"	69.938804
"1256886"	288.971685	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Br"	78.918885
"1314956"	291.027672	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Cl+HCOOH"	80.974872
"1334642"	313.009629	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Cl+NaCOOH"	102.956829
"923149"	323.038386	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M-H+CF3COOH"	112.985586
"1298032"	359.015064	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Cl+CF3COOH"	148.962264
"1371822"	175.040124	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H-2H2O"	-35.012676
"1393696"	193.0501	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H-H2O"	-17.0027
"286820"	421.112876	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+H"	1.007276
"680348"	631.165676	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+H"	1.007276
"1361436"	211.060076	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H"	1.007276
"133963"	211.060076	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+2H"	2.014552
"574618"	316.086476	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+2H"	2.014552
"1047062"	106.033676	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2H"	2.014552
"213507"	141.042476	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+3H"	3.021828
"648692"	211.060076	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+3H"	3.021828
"1171192"	71.024876	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+3H"	3.021828
"433370"	438.139423	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+NH4"	18.033823
"794368"	648.192223	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+NH4"	18.033823
"1690699"	228.086623	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+NH4"	18.033823
"337884"	219.5733495	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+H+NH4"	19.041099
"733582"	324.5997495	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+H+NH4"	19.041099
"1487401"	114.5469495	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H+NH4"	19.041099
"400616"	443.094818	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+Na"	22.989218
"765984"	653.147618	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+Na"	22.989218
"1614081"	233.042018	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Na"	22.989218
"326306"	222.051047	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+H+Na"	23.996494
"716540"	327.077447	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+H+Na"	23.996494
"1473274"	117.024647	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H+Na"	23.996494
"1062509"	78.35219	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2H+Na"	25.00377
"1268201"	243.086286	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+CH3OH+H"	33.033486
"381683"	459.068758	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+K"	38.963158
"742679"	669.121558	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+K"	38.963158
"1550198"	249.015958	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+K"	38.963158
"306280"	230.038017	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+H+K"	39.970434
"697971"	335.064417	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+H+K"	39.970434
"1454708"	125.011617	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H+K"	39.970434
"249506"	462.139426	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+ACN+H"	42.033826
"1224037"	252.086626	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+ACN+H"	42.033826
"1208652"	126.546951	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+ACN+2H"	43.041102
"203875"	465.07676	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+2Na-H"	44.97116
"644003"	675.12956	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+2Na-H"	44.97116
"1146614"	255.02396	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2Na-H"	44.97116
"187874"	233.042018	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+2Na"	45.978436
"624151"	338.068418	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+2Na"	45.978436
"1123281"	128.015618	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2Na"	45.978436
"1402431"	85.679504	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H+2Na"	46.985712
"1442218"	257.065546	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H+HCOOH"	47.012746
"233007"	238.07504	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+3H2O+2H"	56.04448
"1521436"	271.11759	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+IsoProp+H"	61.06479
"420759"	241.028988	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+Na+K"	61.952376
"781390"	346.055388	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+Na+K"	61.952376
"1676625"	136.002588	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Na+K"	61.952376
"263144"	484.121368	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+ACN+Na"	64.015768
"1238409"	274.068568	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+ACN+Na"	64.015768
"1726928"	274.092093	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+NH4+HCOOH"	64.039293
"1191557"	93.006818	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+3Na"	68.967654
"1665098"	279.047488	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Na+HCOOH"	68.994688
"170502"	497.02464	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+2K-H"	76.91904
"600946"	707.07744	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+2K-H"	76.91904
"1088009"	286.97184	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2K-H"	76.91904
"147378"	249.015958	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"2M+2K"	77.926316
"586575"	354.042358	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"3M+2K"	77.926316
"1076554"	143.989558	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2K"	77.926316
"1107579"	288.986392	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2K+H"	78.933592
"1349191"	289.074007	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+DMSO+H"	79.021207
"1019056"	293.113176	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2ACN+H"	83.060376
"1538274"	294.106808	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+IsoProp+Na+H"	84.054008
"1003260"	147.060226	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+2ACN+2H"	84.067652
"1595941"	295.021428	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+K+HCOOH"	84.968628
"1420506"	325.052938	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+H+CF3COOH"	115.000138
"1149703"	167.573501	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+3ACN+2H"	125.094202
"1700349"	342.079485	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+NH4+CF3COOH"	132.026685
"1638186"	347.03488	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+Na+CF3COOH"	136.98208
"1586960"	363.00882	"C05619"	"5-Hydroxyferulic acid methyl ester"	"C10H10O5"	"210.0528"	"M+K+CF3COOH"	152.95602
"809675"	207.0895	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M"	0
"983207"	188.07111	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H2O-H"	-19.01839
"71450"	137.052390666667	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-3H"	-3.021828
"507729"	206.082224	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-3H"	-3.021828
"885530"	68.0225573333333	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-3H"	-3.021828
"6292"	206.082224	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H"	-2.014552
"451321"	309.626974	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H"	-2.014552
"832286"	102.537474	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H"	-2.014552
"93491"	413.171724	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-H"	-1.007276
"534148"	620.261224	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-H"	-1.007276
"910853"	206.082224	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H"	-1.007276
"51015"	430.198271	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H+NH4"	16.019271
"497135"	637.287771	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H+NH4"	16.019271
"870562"	223.108771	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H+NH4"	16.019271
"33725"	435.153666	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H+Na"	20.974666
"474373"	642.243166	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H+Na"	20.974666
"854736"	228.064166	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H+Na"	20.974666
"1623175"	228.064166	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na-2H"	20.974666
"109764"	224.070563	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-H+Cl"	33.962126
"549642"	327.615313	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-H+Cl"	33.962126
"942428"	120.525813	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+Cl"	33.962126
"281071"	449.148402	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Cl"	34.969402
"674343"	656.237902	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+Cl"	34.969402
"1287714"	242.058902	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl"	34.969402
"29662"	451.127606	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M-2H+K"	36.948606
"469222"	658.217106	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M-2H+K"	36.948606
"847390"	244.038106	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-2H+K"	36.948606
"1569782"	244.038106	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K-2H"	36.948606
"955117"	252.087694	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+HCOOH"	44.998194
"374058"	459.177201	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+HCOOH-H"	44.998201
"357215"	473.192851	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Hac-H"	59.013851
"1502768"	266.103351	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Hac-H"	59.013851
"972492"	274.069651	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+NaCOOH"	66.980151
"122497"	242.058902	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2Cl"	69.938804
"563148"	345.603652	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2Cl"	69.938804
"1034135"	138.514152	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2Cl"	69.938804
"1256753"	286.008385	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Br"	78.918885
"1315066"	288.064372	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl+HCOOH"	80.974872
"1334631"	310.046329	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl+NaCOOH"	102.956829
"923259"	320.075086	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M-H+CF3COOH"	112.985586
"1299235"	356.051764	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Cl+CF3COOH"	148.962264
"1374118"	172.076824	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H-2H2O"	-35.012676
"1394899"	190.0868	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H-H2O"	-17.0027
"284378"	415.186276	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H"	1.007276
"680458"	622.275776	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H"	1.007276
"1358995"	208.096776	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H"	1.007276
"129698"	208.096776	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2H"	2.014552
"572539"	311.641526	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2H"	2.014552
"1045349"	104.552026	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2H"	2.014552
"210335"	139.066942666667	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+3H"	3.021828
"652082"	208.096776	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+3H"	3.021828
"1166928"	70.0371093333333	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+3H"	3.021828
"430200"	432.212823	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+NH4"	18.033823
"791197"	639.302323	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+NH4"	18.033823
"1686434"	225.123323	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+NH4"	18.033823
"337992"	216.6100495	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H+NH4"	19.041099
"729318"	320.1547995	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H+NH4"	19.041099
"1480952"	113.0652995	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+NH4"	19.041099
"397445"	437.168218	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Na"	22.989218
"765000"	644.257718	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+Na"	22.989218
"1613098"	230.078718	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na"	22.989218
"324229"	219.087747	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H+Na"	23.996494
"714463"	322.632497	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H+Na"	23.996494
"1473021"	115.542997	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+Na"	23.996494
"1059339"	77.3644233333333	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2H+Na"	25.00377
"1265395"	240.122986	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+CH3OH+H"	33.033486
"382887"	453.142158	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+K"	38.963158
"743880"	660.231658	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+K"	38.963158
"1549214"	246.052658	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K"	38.963158
"304204"	227.074717	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+H+K"	39.970434
"697716"	330.619467	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+H+K"	39.970434
"1451171"	123.529967	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+K"	39.970434
"246701"	456.212826	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+ACN+H"	42.033826
"1223418"	249.123326	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+ACN+H"	42.033826
"1208031"	125.065301	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+ACN+2H"	43.041102
"202725"	459.15016	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2Na-H"	44.97116
"643702"	666.23966	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2Na-H"	44.97116
"1146031"	252.06066	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2Na-H"	44.97116
"183607"	230.078718	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2Na"	45.978436
"619886"	333.623468	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2Na"	45.978436
"1119381"	126.533968	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2Na"	45.978436
"1403634"	84.6917373333333	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+2Na"	46.985712
"1441232"	254.102246	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+HCOOH"	47.012746
"232022"	235.11174	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+3H2O+2H"	56.04448
"1520455"	268.15429	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+IsoProp+H"	61.06479
"421599"	238.065688	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+Na+K"	61.952376
"781500"	341.610438	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+Na+K"	61.952376
"1677099"	134.520938	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na+K"	61.952376
"265076"	478.194768	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+ACN+Na"	64.015768
"1237791"	271.105268	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+ACN+Na"	64.015768
"1725582"	271.128793	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+NH4+HCOOH"	64.039293
"1191668"	92.0190513333333	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+3Na"	68.967654
"1663383"	276.084188	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na+HCOOH"	68.994688
"167332"	491.09804	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2K-H"	76.91904
"600691"	698.18754	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2K-H"	76.91904
"1086661"	284.00854	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2K-H"	76.91904
"146394"	246.052658	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"2M+2K"	77.926316
"585225"	349.597408	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"3M+2K"	77.926316
"1072292"	142.507908	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2K"	77.926316
"1106596"	286.023092	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2K+H"	78.933592
"1344075"	286.110707	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+DMSO+H"	79.021207
"1018073"	290.149876	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2ACN+H"	83.060376
"1536197"	291.143508	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+IsoProp+Na+H"	84.054008
"1000455"	145.578576	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+2ACN+2H"	84.067652
"1594958"	292.058128	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K+HCOOH"	84.968628
"1419524"	322.089638	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+H+CF3COOH"	115.000138
"1149814"	166.091851	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+3ACN+2H"	125.094202
"1701553"	339.116185	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+NH4+CF3COOH"	132.026685
"1642671"	344.07158	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+Na+CF3COOH"	136.98208
"1583790"	360.04552	"C05620"	"N-Acetyl-D-phenylalanine"	"C11H13NO3"	"207.0895"	"M+K+CF3COOH"	152.95602
"813065"	650.1483	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M"	0
"983317"	631.12991	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-H2O-H"	-19.01839
"73747"	432.424924	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M-3H"	-3.021828
"507839"	649.141024	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M-3H"	-3.021828
"884545"	215.708824	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-3H"	-3.021828
"13693"	649.141024	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M-2H"	-2.014552
"447055"	974.215174	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M-2H"	-2.014552
"825951"	324.066874	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-2H"	-2.014552
"92875"	1299.289324	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M-H"	-1.007276
"533041"	1949.437624	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M-H"	-1.007276
"907686"	649.141024	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-H"	-1.007276
"56593"	1316.315871	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M-2H+NH4"	16.019271
"492143"	1966.464171	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M-2H+NH4"	16.019271
"867755"	666.167571	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-2H+NH4"	16.019271
"37482"	1321.271266	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M-2H+Na"	20.974666
"472666"	1971.419566	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M-2H+Na"	20.974666
"854846"	671.122966	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-2H+Na"	20.974666
"1623285"	671.122966	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Na-2H"	20.974666
"109870"	667.129363	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M-H+Cl"	33.962126
"549795"	992.203513	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M-H+Cl"	33.962126
"942135"	342.055213	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-H+Cl"	33.962126
"282268"	1335.266002	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+Cl"	34.969402
"673361"	1985.414302	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+Cl"	34.969402
"1287101"	685.117702	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Cl"	34.969402
"27586"	1337.245206	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M-2H+K"	36.948606
"467146"	1987.393506	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M-2H+K"	36.948606
"846042"	687.096906	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-2H+K"	36.948606
"1567341"	687.096906	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+K-2H"	36.948606
"953041"	695.146494	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-H+HCOOH"	44.998194
"373075"	1345.294801	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+HCOOH-H"	44.998201
"356232"	1359.310451	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+Hac-H"	59.013851
"1502878"	709.162151	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Hac-H"	59.013851
"968229"	717.128451	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-H+NaCOOH"	66.980151
"122607"	685.117702	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+2Cl"	69.938804
"561072"	1010.191852	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+2Cl"	69.938804
"1034245"	360.043552	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2Cl"	69.938804
"1256376"	729.067185	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Br"	78.918885
"1317366"	731.123172	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Cl+HCOOH"	80.974872
"1334134"	753.105129	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Cl+NaCOOH"	102.956829
"921547"	763.133886	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M-H+CF3COOH"	112.985586
"1297159"	799.110564	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Cl+CF3COOH"	148.962264
"1375324"	615.135624	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H-2H2O"	-35.012676
"1393916"	633.1456	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H-H2O"	-17.0027
"284853"	1301.303876	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+H"	1.007276
"682756"	1951.452176	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+H"	1.007276
"1354732"	651.155576	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H"	1.007276
"130903"	651.155576	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+2H"	2.014552
"571558"	976.229726	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+2H"	2.014552
"1046554"	326.081426	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2H"	2.014552
"214820"	434.439476	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+3H"	3.021828
"654381"	651.155576	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+3H"	3.021828
"1170318"	217.723376	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+3H"	3.021828
"432497"	1318.330423	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+NH4"	18.033823
"790214"	1968.478723	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+NH4"	18.033823
"1686545"	668.182123	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+NH4"	18.033823
"337011"	659.6688495	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+H+NH4"	19.041099
"728338"	984.7429995	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+H+NH4"	19.041099
"1484344"	334.5946995	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H+NH4"	19.041099
"399742"	1323.285818	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+Na"	22.989218
"759644"	1973.434118	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+Na"	22.989218
"1611022"	673.137518	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Na"	22.989218
"323246"	662.146547	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+H+Na"	23.996494
"716761"	987.220697	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+H+Na"	23.996494
"1471673"	337.072397	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H+Na"	23.996494
"1062729"	225.05069	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2H+Na"	25.00377
"1264412"	683.181786	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+CH3OH+H"	33.033486
"386277"	1339.259758	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+K"	38.963158
"743990"	1989.408058	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+K"	38.963158
"1549325"	689.111458	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+K"	38.963158
"303220"	670.133517	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+H+K"	39.970434
"694913"	995.207667	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+H+K"	39.970434
"1450554"	345.059367	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H+K"	39.970434
"244624"	1342.330426	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+ACN+H"	42.033826
"1223892"	692.182126	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+ACN+H"	42.033826
"1206683"	346.594701	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+ACN+2H"	43.041102
"202471"	1345.26776	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+2Na-H"	44.97116
"642760"	1995.41606	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+2Na-H"	44.97116
"1145897"	695.11946	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2Na-H"	44.97116
"180437"	673.137518	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+2Na"	45.978436
"621089"	998.211668	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+2Na"	45.978436
"1119491"	348.063368	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2Na"	45.978436
"1404837"	232.378004	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H+2Na"	46.985712
"1440978"	697.161046	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H+HCOOH"	47.012746
"230310"	678.17054	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+3H2O+2H"	56.04448
"1520200"	711.21309	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+IsoProp+H"	61.06479
"420614"	681.124488	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+Na+K"	61.952376
"780880"	1006.198638	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+Na+K"	61.952376
"1676115"	356.050338	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Na+K"	61.952376
"264455"	1364.312368	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+ACN+Na"	64.015768
"1237532"	714.164068	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+ACN+Na"	64.015768
"1725325"	714.187593	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+NH4+HCOOH"	64.039293
"1192141"	239.705318	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+3Na"	68.967654
"1661670"	719.142988	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Na+HCOOH"	68.994688
"167442"	1377.21564	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+2K-H"	76.91904
"599346"	2027.36394	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+2K-H"	76.91904
"1087500"	727.06734	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2K-H"	76.91904
"145050"	689.111458	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"2M+2K"	77.926316
"583880"	1014.185608	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"3M+2K"	77.926316
"1071672"	364.037308	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2K"	77.926316
"1104518"	729.081892	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2K+H"	78.933592
"1346371"	729.169507	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+DMSO+H"	79.021207
"1018183"	733.208676	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2ACN+H"	83.060376
"1535212"	734.202308	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+IsoProp+Na+H"	84.054008
"1000565"	367.107976	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+2ACN+2H"	84.067652
"1596163"	735.116928	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+K+HCOOH"	84.968628
"1420730"	765.148438	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+H+CF3COOH"	115.000138
"1148466"	387.621251	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+3ACN+2H"	125.094202
"1706037"	782.174985	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+NH4+CF3COOH"	132.026685
"1642781"	787.13038	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+Na+CF3COOH"	136.98208
"1583900"	803.10432	"C05622"	"Malonylapiin;Apigenin 7-O-beta-D-apiosyl-(1-2)-(6-malonyl-beta-D-glucoside)"	"C29H30O17"	"650.1483"	"M+K+CF3COOH"	152.95602
"804426"	464.0955	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M"	0
"983427"	445.07711	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-H2O-H"	-19.01839
"67295"	308.389724	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M-3H"	-3.021828
"507949"	463.088224	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M-3H"	-3.021828
"881374"	153.691224	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-3H"	-3.021828
"14167"	463.088224	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M-2H"	-2.014552
"447165"	695.135974	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M-2H"	-2.014552
"827154"	231.040474	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-2H"	-2.014552
"91526"	927.183724	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M-H"	-1.007276
"529993"	1391.279224	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M-H"	-1.007276
"906703"	463.088224	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-H"	-1.007276
"53423"	944.210271	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M-2H+NH4"	16.019271
"492253"	1408.305771	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M-2H+NH4"	16.019271
"868230"	480.114771	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-2H+NH4"	16.019271
"37592"	949.165666	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M-2H+Na"	20.974666
"476057"	1413.261166	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M-2H+Na"	20.974666
"854229"	485.070166	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-2H+Na"	20.974666
"1626679"	485.070166	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Na-2H"	20.974666
"108069"	481.076563	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M-H+Cl"	33.962126
"549578"	713.124313	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M-H+Cl"	33.962126
"942365"	249.028813	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-H+Cl"	33.962126
"281408"	963.160402	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+Cl"	34.969402
"674440"	1427.255902	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+Cl"	34.969402
"1286969"	499.064902	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Cl"	34.969402
"30738"	965.139606	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M-2H+K"	36.948606
"470537"	1429.235106	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M-2H+K"	36.948606
"845056"	501.044106	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-2H+K"	36.948606
"1569274"	501.044106	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+K-2H"	36.948606
"953151"	509.093694	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-H+HCOOH"	44.998194
"373914"	973.189201	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+HCOOH-H"	44.998201
"356342"	987.204851	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+Hac-H"	59.013851
"1502988"	523.109351	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Hac-H"	59.013851
"969432"	531.075651	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-H+NaCOOH"	66.980151
"121623"	499.064902	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+2Cl"	69.938804
"561182"	731.112652	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+2Cl"	69.938804
"1035448"	267.017152	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2Cl"	69.938804
"1255880"	543.014385	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Br"	78.918885
"1318205"	545.070372	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Cl+HCOOH"	80.974872
"1333514"	567.052329	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Cl+NaCOOH"	102.956829
"921657"	577.081086	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M-H+CF3COOH"	112.985586
"1295082"	613.057764	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Cl+CF3COOH"	148.962264
"1375434"	429.082824	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H-2H2O"	-35.012676
"1394026"	447.0928	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H-H2O"	-17.0027
"286056"	929.198276	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+H"	1.007276
"683961"	1393.293776	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+H"	1.007276
"1357029"	465.102776	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H"	1.007276
"132836"	465.102776	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+2H"	2.014552
"571668"	697.150526	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+2H"	2.014552
"1043750"	233.055026	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2H"	2.014552
"214566"	310.404276	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+3H"	3.021828
"653399"	465.102776	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+3H"	3.021828
"1168243"	155.705776	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+3H"	3.021828
"428234"	946.224823	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+NH4"	18.033823
"788137"	1410.320323	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+NH4"	18.033823
"1685561"	482.129323	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+NH4"	18.033823
"334933"	473.6160495	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+H+NH4"	19.041099
"726260"	705.6637995	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+H+NH4"	19.041099
"1480079"	241.5682995	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H+NH4"	19.041099
"402037"	951.180218	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+Na"	22.989218
"760846"	1415.275718	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+Na"	22.989218
"1611128"	487.084718	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Na"	22.989218
"318982"	476.093747	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+H+Na"	23.996494
"714681"	708.141497	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+H+Na"	23.996494
"1462425"	244.045997	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H+Na"	23.996494
"1055914"	163.03309	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2H+Na"	25.00377
"1264522"	497.128986	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+CH3OH+H"	33.033486
"385293"	967.154158	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+K"	38.963158
"746288"	1431.249658	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+K"	38.963158
"1549070"	503.058658	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+K"	38.963158
"306245"	484.080717	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+H+K"	39.970434
"697938"	716.128467	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+H+K"	39.970434
"1449934"	252.032967	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H+K"	39.970434
"243639"	970.224826	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+ACN+H"	42.033826
"1220722"	506.129326	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+ACN+H"	42.033826
"1202418"	253.568301	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+ACN+2H"	43.041102
"200393"	973.16216	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+2Na-H"	44.97116
"639951"	1437.25766	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+2Na-H"	44.97116
"1144183"	509.06666	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2Na-H"	44.97116
"178360"	487.084718	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+2Na"	45.978436
"619011"	719.132468	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+2Na"	45.978436
"1119601"	255.036968	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2Na"	45.978436
"1403124"	170.360404	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H+2Na"	46.985712
"1443507"	511.108246	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H+HCOOH"	47.012746
"231512"	492.11774	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+3H2O+2H"	56.04448
"1521038"	525.16029	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+IsoProp+H"	61.06479
"418902"	495.071688	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+Na+K"	61.952376
"780625"	727.119438	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+Na+K"	61.952376
"1676224"	263.023938	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Na+K"	61.952376
"263836"	992.206768	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+ACN+Na"	64.015768
"1235454"	528.111268	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+ACN+Na"	64.015768
"1725436"	528.134793	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+NH4+HCOOH"	64.039293
"1192615"	177.687718	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+3Na"	68.967654
"1663967"	533.090188	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Na+HCOOH"	68.994688
"166458"	1005.11004	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+2K-H"	76.91904
"600914"	1469.20554	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+2K-H"	76.91904
"1088341"	541.01454	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2K-H"	76.91904
"148440"	503.058658	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"2M+2K"	77.926316
"585084"	735.106408	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"3M+2K"	77.926316
"1072513"	271.010908	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2K"	77.926316
"1106815"	543.029092	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2K+H"	78.933592
"1345387"	543.116707	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+DMSO+H"	79.021207
"1017199"	547.155876	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2ACN+H"	83.060376
"1537508"	548.149508	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+IsoProp+Na+H"	84.054008
"1001768"	274.081576	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+2ACN+2H"	84.067652
"1597367"	549.064128	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+K+HCOOH"	84.968628
"1424120"	579.095638	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+H+CF3COOH"	115.000138
"1155503"	294.594851	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+3ACN+2H"	125.094202
"1708334"	596.122185	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+NH4+CF3COOH"	132.026685
"1642891"	601.07758	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+Na+CF3COOH"	136.98208
"1584010"	617.05152	"C05623"	"Quercetin 3-O-glucoside;Isoquercitrin;2-(34-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-57-dihydroxy-4H-1-benzopyran-4-one;Isotrifoliin"	"C21H20O12"	"464.0955"	"M+K+CF3COOH"	152.95602
"807816"	610.1534	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M"	0
"978069"	591.13501	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-H2O-H"	-19.01839
"63998"	405.761657333333	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M-3H"	-3.021828
"505871"	609.146124	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M-3H"	-3.021828
"880633"	202.377190666667	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-3H"	-3.021828
"7716"	609.146124	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M-2H"	-2.014552
"443994"	914.222824	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M-2H"	-2.014552
"821796"	304.069424	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-2H"	-2.014552
"93096"	1219.299524	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M-H"	-1.007276
"532289"	1829.452924	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M-H"	-1.007276
"906812"	609.146124	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-H"	-1.007276
"55720"	1236.326071	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M-2H+NH4"	16.019271
"495279"	1846.479471	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M-2H+NH4"	16.019271
"868704"	626.172671	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-2H+NH4"	16.019271
"34054"	1241.281466	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M-2H+Na"	20.974666
"476167"	1851.434866	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M-2H+Na"	20.974666
"855068"	631.128066	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-2H+Na"	20.974666
"1626789"	631.128066	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Na-2H"	20.974666
"107329"	627.134463	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M-H+Cl"	33.962126
"547255"	932.211163	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M-H+Cl"	33.962126
"941385"	322.057763	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-H+Cl"	33.962126
"279337"	1255.276202	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+Cl"	34.969402
"672486"	1865.429602	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+Cl"	34.969402
"1286227"	645.122802	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Cl"	34.969402
"28905"	1257.255406	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M-2H+K"	36.948606
"468459"	1867.408806	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M-2H+K"	36.948606
"845894"	647.102006	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-2H+K"	36.948606
"1568656"	647.102006	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+K-2H"	36.948606
"953261"	655.151594	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-H+HCOOH"	44.998194
"373295"	1265.305001	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+HCOOH-H"	44.998201
"355359"	1279.320651	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+Hac-H"	59.013851
"1503099"	669.167251	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Hac-H"	59.013851
"969178"	677.133551	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-H+NaCOOH"	66.980151
"120640"	645.122802	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+2Cl"	69.938804
"560199"	950.199502	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+2Cl"	69.938804
"1034465"	340.046102	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2Cl"	69.938804
"1256231"	689.072285	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Br"	78.918885
"1318678"	691.128272	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Cl+HCOOH"	80.974872
"1332895"	713.110229	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Cl+NaCOOH"	102.956829
"921767"	723.138986	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M-H+CF3COOH"	112.985586
"1296286"	759.115664	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Cl+CF3COOH"	148.962264
"1375544"	575.140724	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H-2H2O"	-35.012676
"1393044"	593.1507	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H-H2O"	-17.0027
"286167"	1221.314076	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+H"	1.007276
"686256"	1831.467476	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+H"	1.007276
"1360056"	611.160676	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H"	1.007276
"132217"	611.160676	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+2H"	2.014552
"573964"	916.237376	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+2H"	2.014552
"1047139"	306.083976	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2H"	2.014552
"215405"	407.776209333333	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+3H"	3.021828
"654238"	611.160676	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+3H"	3.021828
"1168353"	204.391742666667	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+3H"	3.021828
"430531"	1238.340623	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+NH4"	18.033823
"787154"	1848.494023	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+NH4"	18.033823
"1685671"	628.187223	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+NH4"	18.033823
"337228"	619.6739495	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+H+NH4"	19.041099
"726370"	924.7506495	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+H+NH4"	19.041099
"1480916"	314.5972495	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H+NH4"	19.041099
"401054"	1243.296018	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+Na"	22.989218
"765327"	1853.449418	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+Na"	22.989218
"1613425"	633.142618	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Na"	22.989218
"323465"	622.151647	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+H+Na"	23.996494
"715885"	927.228347	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+H+Na"	23.996494
"1467517"	317.074947	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H+Na"	23.996494
"1056753"	211.719056666667	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2H+Na"	25.00377
"1257457"	643.186886	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+CH3OH+H"	33.033486
"386132"	1259.269958	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+K"	38.963158
"748950"	1869.423358	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+K"	38.963158
"1547356"	649.116558	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+K"	38.963158
"308178"	630.138617	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+H+K"	39.970434
"695130"	935.215317	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+H+K"	39.970434
"1447857"	325.061917	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H+K"	39.970434
"244842"	1262.340626	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+ACN+H"	42.033826
"1218645"	652.187226	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+ACN+H"	42.033826
"1202528"	326.597251	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+ACN+2H"	43.041102
"199770"	1265.27796	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+2Na-H"	44.97116
"639329"	1875.43136	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+2Na-H"	44.97116
"1141741"	655.12456	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2Na-H"	44.97116
"177377"	633.142618	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+2Na"	45.978436
"616569"	938.219318	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+2Na"	45.978436
"1120075"	328.065918	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2Na"	45.978436
"1400316"	219.046370666667	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H+2Na"	46.985712
"1436447"	657.166146	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H+HCOOH"	47.012746
"234290"	638.17564	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+3H2O+2H"	56.04448
"1520055"	671.21819	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+IsoProp+H"	61.06479
"419013"	641.129588	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+Na+K"	61.952376
"781829"	946.206288	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+Na+K"	61.952376
"1675240"	336.052888	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Na+K"	61.952376
"263216"	1284.322568	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+ACN+Na"	64.015768
"1234470"	674.169168	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+ACN+Na"	64.015768
"1722259"	674.192693	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+NH4+HCOOH"	64.039293
"1187616"	226.373684666667	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+3Na"	68.967654
"1662980"	679.148088	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Na+HCOOH"	68.994688
"168755"	1297.22584	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+2K-H"	76.91904
"602847"	1907.37924	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+2K-H"	76.91904
"1089546"	687.07244	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2K-H"	76.91904
"148549"	649.116558	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"2M+2K"	77.926316
"590298"	954.193258	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"3M+2K"	77.926316
"1075903"	344.039858	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2K"	77.926316
"1105832"	689.086992	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2K+H"	78.933592
"1345496"	689.174607	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+DMSO+H"	79.021207
"1019375"	693.213776	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2ACN+H"	83.060376
"1535430"	694.207408	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+IsoProp+Na+H"	84.054008
"999692"	347.110526	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+2ACN+2H"	84.067652
"1598571"	695.122028	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+K+HCOOH"	84.968628
"1423137"	725.153538	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+H+CF3COOH"	115.000138
"1155613"	367.623801	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+3ACN+2H"	125.094202
"1708444"	742.180085	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+NH4+CF3COOH"	132.026685
"1643001"	747.13548	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+Na+CF3COOH"	136.98208
"1584120"	763.10942	"C05625"	"Rutin;3-6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2-(34-dihydroxyphenyl)-57-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-rutinoside;Rutoside;Phytomelin"	"C27H30O16"	"610.1534"	"M+K+CF3COOH"	152.95602
"807926"	120.0575	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M"	0
"985835"	101.03911	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"75170"	79.0310573333333	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"512544"	119.050224	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"889252"	39.0118906666667	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"7826"	119.050224	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"445199"	179.078974	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"822999"	59.021474	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"94106"	239.107724	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"533008"	359.165224	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"908017"	119.050224	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"59110"	256.134271	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"497577"	376.191771	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"873191"	136.076771	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"33920"	261.089666	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"477005"	381.147166	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"856272"	141.032166	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1630179"	141.032166	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"108531"	137.038563	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"549194"	197.067313	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"941853"	77.009813	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"279814"	275.084402	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"672600"	395.141902	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1287065"	155.026902	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"29743"	277.063606	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"469662"	397.121106	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"847101"	157.006106	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1569857"	157.006106	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"953370"	165.055694	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"371587"	285.113201	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"357658"	299.128851	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1506489"	179.071351	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"970749"	187.037651	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"121844"	155.026902	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"563589"	215.055652	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1033480"	94.998152	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1254884"	198.976385	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1316605"	201.032372	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1334101"	223.014329	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"919690"	233.043086	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1294210"	269.019764	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1375654"	85.044824	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1392061"	103.0548	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"291745"	241.122276	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"686369"	361.179776	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1360533"	121.064776	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H"	1.007276
"132326"	121.064776	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"574074"	181.093526	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1048342"	61.036026	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"215150"	81.0456093333333	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"657627"	121.064776	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1169558"	41.0264426666667	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"426268"	258.148823	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"787264"	378.206323	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1685781"	138.091323	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"336247"	129.5780495	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"727575"	189.6067995	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1481396"	69.5492995	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"403353"	263.104218	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"764348"	383.161718	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1615725"	143.046718	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"325762"	132.055747	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"714903"	192.084497	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1470908"	72.026997	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1057956"	48.3537566666667	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1258781"	153.090986	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"389159"	279.078158	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"748694"	399.135658	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1551841"	159.020658	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+K"	38.963158
"306829"	140.042717	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"699250"	200.071467	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1450883"	80.013967	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"246045"	282.148826	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1218754"	162.091326	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1203730"	81.549301	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"199880"	285.08616	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"643654"	405.14366	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1145131"	165.02866	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"180767"	143.046718	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"618502"	203.075468	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1120185"	83.017968	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1399698"	55.6810706666667	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1436193"	167.070246	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"230265"	148.07974	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1521623"	181.12229	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"421306"	151.033688	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"783397"	211.062438	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1678265"	91.004938	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"263690"	304.130768	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1237858"	184.073268	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1724555"	184.096793	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1188819"	63.0083846666667	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1660900"	189.052188	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"171659"	317.03404	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"609519"	437.09154	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1095124"	196.97654	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"153034"	159.020658	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"593685"	219.049408	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1082451"	98.991908	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1113595"	198.991092	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1345604"	199.078707	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1019484"	203.117876	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1536634"	204.111508	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"1000897"	102.062576	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1598681"	205.026128	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1422155"	235.057638	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1160825"	122.575851	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1708553"	252.084185	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1640924"	257.03958	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1584230"	273.01352	"C05627"	"4-Hydroxystyrene;4-Vinylphenol"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"814595"	150.0681	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M"	0
"981569"	131.04971	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"74186"	99.038124	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"517029"	149.060824	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"890456"	49.015424	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"10123"	149.060824	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"450776"	224.094874	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"828576"	74.026774	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"90760"	299.128924	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"530320"	449.197024	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"910070"	149.060824	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"54846"	316.155471	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"495499"	466.223571	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"873299"	166.087371	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"35367"	321.110866	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"477115"	471.178966	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"856379"	171.042766	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1630286"	171.042766	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"108641"	167.049163	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"549855"	242.083213	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"941720"	92.015113	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"282673"	335.105602	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"675631"	485.173702	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1288145"	185.037502	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"27658"	337.084806	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"470503"	487.152906	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"844297"	187.016706	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1571148"	187.016706	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"954573"	195.066294	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"371697"	345.134401	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"358739"	359.150051	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1507571"	209.081951	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"972196"	217.048251	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"124748"	185.037502	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"565281"	260.071552	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1035777"	110.003452	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1256861"	228.986985	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1319633"	231.042972	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1334698"	253.024929	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"925267"	263.053686	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1296507"	299.030364	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1379044"	115.055424	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1396544"	133.0654	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"296228"	301.143476	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"688665"	451.211576	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1364286"	151.075376	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"134624"	151.075376	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"575277"	226.109426	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1047358"	76.041326	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"215260"	101.052676	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"656643"	151.075376	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1170762"	51.029976	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"429660"	318.170023	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"787375"	468.238123	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1685893"	168.101923	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"336356"	159.5886495	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"727685"	234.6226995	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1481506"	84.5545995	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"402369"	323.125418	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"764461"	473.193518	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1614743"	173.057318	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"326965"	162.066347	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"716107"	237.100397	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1471747"	87.032297	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1058795"	58.35729	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1261567"	183.101586	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"391456"	339.099358	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"750992"	489.167458	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1555492"	189.031258	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"306940"	170.053317	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"696081"	245.087367	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1453181"	95.019267	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"246157"	342.170026	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1218865"	192.101926	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1203841"	96.554601	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"203149"	345.10736	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"644061"	495.17546	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1145241"	195.03926	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"180877"	173.057318	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"618976"	248.091368	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1121388"	98.023268	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1400901"	65.684604	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1443958"	197.080846	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"234752"	178.09034	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1519532"	211.13289	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"422509"	181.044288	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"780223"	256.078338	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1677282"	106.010238	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"264894"	364.151968	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1235781"	214.083868	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1724300"	214.107393	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1187833"	73.011918	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1661010"	219.062788	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"171157"	377.05524	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"605255"	527.12334	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1091953"	226.98714	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"147675"	189.031258	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"594890"	264.065308	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1079403"	113.997208	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1108237"	229.001692	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1343528"	229.089307	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1015341"	233.128476	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1530184"	234.122108	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"996633"	117.067876	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1597696"	235.036728	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1424451"	265.068238	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1152551"	137.581151	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1703196"	282.094785	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1639940"	287.05018	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1584340"	303.02412	"C05629"	"Phenylpropanoate;3-Phenyl-propionic acid;3-Phenylpropanoic acid;3-Phenylpropionic acid"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"804864"	288.0634	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M"	0
"981679"	269.04501	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"67734"	191.034990666667	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"508389"	287.056124	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"887285"	95.0138573333333	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"9139"	287.056124	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"447605"	431.087824	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"826499"	143.024424	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"85402"	575.119524	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"529337"	863.182924	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"910668"	287.056124	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"54956"	592.146071	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"491235"	880.209471	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"872316"	304.082671	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"36208"	597.101466	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"472606"	885.164866	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"856489"	309.038066	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1629303"	309.038066	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"108022"	305.044463	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"549696"	449.076163	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"940736"	161.012763	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"282413"	611.096202	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"673901"	899.159602	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1285579"	323.032802	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"26675"	613.075406	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"468790"	901.138806	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"844407"	325.012006	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1567527"	325.012006	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"953590"	333.061594	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"370709"	621.125001	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"357878"	635.140651	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1506709"	347.077251	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"971698"	355.043551	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"124250"	323.032802	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"561623"	467.064502	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1033699"	179.001102	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1252184"	366.982285	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1319134"	369.038272	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1332130"	391.020229	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"922097"	401.048986	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1296617"	437.025664	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1379154"	253.050724	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1392278"	271.0607	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"286861"	577.134076	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"687318"	865.197476	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1361480"	289.070676	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"134733"	289.070676	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"573200"	433.102376	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1046375"	145.038976	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"217192"	193.049542666667	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"658210"	289.070676	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1174152"	97.0284093333333	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"431957"	594.160623	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"787485"	882.224023	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1688189"	306.097223	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"336468"	297.5839495	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"727795"	441.6156495	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1481617"	153.5522495	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"403573"	599.116018	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"763478"	887.179418	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1613761"	311.052618	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"326711"	300.061647	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"716217"	444.093347	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1473316"	156.029947	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1057814"	104.355723333333	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1260585"	321.096886	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"387921"	615.089958	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"744541"	903.153358	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1550970"	327.026558	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"302676"	308.048617	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"696191"	452.080317	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1452197"	164.016917	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"244081"	618.160626	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1217881"	330.097226	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1201764"	165.552251	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"202166"	621.09796	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"643548"	909.16136	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1138790"	333.03456	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"180987"	311.052618	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"618357"	455.084318	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1120405"	167.020918	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1401011"	111.683037333333	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1442611"	335.076146	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"235471"	316.08564	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1517455"	349.12819	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"416055"	319.039588	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"782519"	463.071288	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1673382"	175.007888	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"263911"	640.142568	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1235891"	352.079168	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1721494"	352.102693	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1189035"	119.010351333333	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1662213"	357.058088	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"171267"	653.04584	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"609733"	941.10924	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1092063"	364.98244	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"148878"	327.026558	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"592812"	471.058258	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1082430"	182.994858	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1108347"	366.996992	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1345825"	367.084607	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1015451"	371.123776	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1531388"	372.117408	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"996743"	186.065526	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1597806"	373.032028	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1425654"	403.063538	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1154848"	206.578801	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1703306"	420.090085	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1640050"	425.04548	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1584450"	441.01942	"C05631"	"Eriodictyol"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"804974"	175.0633	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M"	0
"981789"	156.04491	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"67844"	115.701590666667	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"511779"	174.056024	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"888488"	57.3471573333333	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"9249"	174.056024	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"447715"	261.587674	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"825516"	86.524374	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"83325"	349.119324	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"526167"	524.182624	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"910535"	174.056024	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"55066"	366.145871	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"493532"	541.209171	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"872426"	191.082571	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"35954"	371.101266	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"471946"	546.164566	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"856599"	196.037966	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1630505"	196.037966	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"102663"	192.044363	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"548544"	279.576013	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"939750"	104.512713	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"277579"	385.096002	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"674376"	560.159302	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1288395"	210.032702	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"28971"	387.075206	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"469265"	562.138506	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"843423"	212.011906	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1568731"	212.011906	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"954429"	220.061494	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"371911"	395.124801	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"357988"	409.140451	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1505725"	234.077151	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"967797"	242.043451	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"123267"	210.032702	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"559544"	297.564352	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1032716"	122.501052	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1251201"	253.982185	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1316932"	256.038172	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1330054"	278.020129	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"924394"	288.048886	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1291260"	324.025564	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1379264"	140.050624	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1392388"	158.0606	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"286971"	351.133876	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"681229"	526.197176	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1360853"	176.070576	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"135929"	176.070576	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"575132"	263.602226	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1047577"	88.538926	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"218032"	117.716142666667	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"655040"	176.070576	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1174262"	59.3617093333333	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"435348"	368.160423	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"794155"	543.223723	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1691578"	193.097123	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"339858"	184.5838495	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"728998"	272.1154995	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1485007"	97.0521995	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"402590"	373.115818	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"762495"	548.179118	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1614963"	198.052518	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"327188"	187.061547	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"717055"	274.593197	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1471239"	99.529897	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1060109"	66.6890233333333	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1262880"	208.096786	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"383655"	389.089758	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"742099"	564.153058	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1552900"	214.026458	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"301692"	195.048517	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"699581"	282.580167	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1452307"	107.516867	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"246376"	392.160426	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1219085"	217.097126	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1204060"	109.052201	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"199117"	395.09776	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"642321"	570.16106	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1138900"	220.03446	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"181097"	198.052518	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"618103"	285.584168	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1121608"	110.520868	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1402214"	74.0163373333333	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1441630"	222.076046	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"227310"	203.08554	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1516466"	236.12809	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"416156"	206.039488	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"779349"	293.571138	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1674583"	118.507838	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"260010"	414.142368	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1232719"	239.079068	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1720511"	239.102593	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1185866"	81.3436513333333	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1662323"	244.057988	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"169190"	427.04564	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"607655"	602.10894	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1094359"	251.98234	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"148988"	214.026458	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"596081"	301.558108	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1083755"	126.494808	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1110644"	253.996892	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1345935"	254.084507	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1016656"	258.123676	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1531498"	259.117308	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"999041"	129.565476	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1594636"	260.031928	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1422484"	290.063438	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1154958"	150.078751	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1702323"	307.089985	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1640160"	312.04538	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1584560"	328.01932	"C05634"	"5-Hydroxyindoleacetaldehyde"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"805084"	191.0582	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M"	0
"981899"	172.03981	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-H2O-H"	-19.01839
"67954"	126.364857333333	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M-3H"	-3.021828
"511889"	190.050924	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M-3H"	-3.021828
"886411"	62.6787906666667	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-3H"	-3.021828
"9360"	190.050924	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M-2H"	-2.014552
"450011"	285.580024	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M-2H"	-2.014552
"824533"	94.521824	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-2H"	-2.014552
"83435"	381.109124	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M-H"	-1.007276
"531625"	572.167324	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M-H"	-1.007276
"908455"	190.050924	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-H"	-1.007276
"59551"	398.135671	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M-2H+NH4"	16.019271
"500083"	589.193871	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M-2H+NH4"	16.019271
"872537"	207.077471	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-2H+NH4"	16.019271
"36428"	403.091066	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M-2H+Na"	20.974666
"476717"	594.149266	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M-2H+Na"	20.974666
"859989"	212.032866	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-2H+Na"	20.974666
"1629158"	212.032866	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Na-2H"	20.974666
"102774"	208.039263	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M-H+Cl"	33.962126
"548775"	303.568363	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M-H+Cl"	33.962126
"940224"	112.510163	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-H+Cl"	33.962126
"277689"	417.085802	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+Cl"	34.969402
"671205"	608.144002	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+Cl"	34.969402
"1281419"	226.027602	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Cl"	34.969402
"26166"	419.065006	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M-2H+K"	36.948606
"466825"	610.123206	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M-2H+K"	36.948606
"842440"	228.006806	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-2H+K"	36.948606
"1565923"	228.006806	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+K-2H"	36.948606
"954539"	236.056394	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-H+HCOOH"	44.998194
"370928"	427.114601	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+HCOOH-H"	44.998201
"355911"	441.130251	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+Hac-H"	59.013851
"1504742"	250.072051	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Hac-H"	59.013851
"967907"	258.038351	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-H+NaCOOH"	66.980151
"123377"	226.027602	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+2Cl"	69.938804
"558561"	321.556702	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+2Cl"	69.938804
"1032828"	130.498502	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2Cl"	69.938804
"1252407"	269.977085	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Br"	78.918885
"1312669"	272.033072	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Cl+HCOOH"	80.974872
"1325791"	294.015029	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Cl+NaCOOH"	102.956829
"919036"	304.043786	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M-H+CF3COOH"	112.985586
"1290277"	340.020464	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Cl+CF3COOH"	148.962264
"1376094"	156.045524	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H-2H2O"	-35.012676
"1392498"	174.0555	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H-H2O"	-17.0027
"287081"	383.123676	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+H"	1.007276
"685711"	574.181876	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+H"	1.007276
"1359870"	192.065476	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H"	1.007276
"136040"	192.065476	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+2H"	2.014552
"574514"	287.594576	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+2H"	2.014552
"1047688"	96.536376	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2H"	2.014552
"218142"	128.379409333333	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+3H"	3.021828
"655150"	192.065476	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+3H"	3.021828
"1175466"	64.6933426666667	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+3H"	3.021828
"438012"	400.150223	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+NH4"	18.033823
"799368"	591.208423	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+NH4"	18.033823
"1692785"	209.092023	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+NH4"	18.033823
"343249"	200.5787495	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+H+NH4"	19.041099
"729110"	296.1078495	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+H+NH4"	19.041099
"1485117"	105.0496495	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H+NH4"	19.041099
"405980"	405.105618	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+Na"	22.989218
"763699"	596.163818	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+Na"	22.989218
"1616896"	214.047418	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Na"	22.989218
"328271"	203.056447	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+H+Na"	23.996494
"717531"	298.585547	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+H+Na"	23.996494
"1471351"	107.527347	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H+Na"	23.996494
"1059127"	72.0206566666667	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2H+Na"	25.00377
"1264449"	224.091686	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+CH3OH+H"	33.033486
"382674"	421.079558	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+K"	38.963158
"744761"	612.137758	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+K"	38.963158
"1550095"	230.021358	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+K"	38.963158
"303990"	211.043417	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+H+K"	39.970434
"695317"	306.572517	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+H+K"	39.970434
"1451324"	115.514317	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H+K"	39.970434
"245393"	424.150226	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+ACN+H"	42.033826
"1218101"	233.092026	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+ACN+H"	42.033826
"1204172"	117.049651	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+ACN+2H"	43.041102
"199229"	427.08756	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+2Na-H"	44.97116
"641340"	618.14576	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+2Na-H"	44.97116
"1142290"	236.02936	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2Na-H"	44.97116
"181207"	214.047418	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+2Na"	45.978436
"618213"	309.576518	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+2Na"	45.978436
"1121718"	118.518318	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2Na"	45.978436
"1403781"	79.3479706666667	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H+2Na"	46.985712
"1434447"	238.070946	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H+HCOOH"	47.012746
"223772"	219.08044	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+3H2O+2H"	56.04448
"1515483"	252.12299	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+IsoProp+H"	61.06479
"416632"	222.034388	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+Na+K"	61.952376
"773990"	317.563488	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+Na+K"	61.952376
"1672507"	126.505288	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Na+K"	61.952376
"259027"	446.132168	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+ACN+Na"	64.015768
"1231736"	255.073968	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+ACN+Na"	64.015768
"1723538"	255.097493	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+NH4+HCOOH"	64.039293
"1188165"	86.6752846666667	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+3Na"	68.967654
"1661339"	260.052888	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Na+HCOOH"	68.994688
"170393"	459.03544	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+2K-H"	76.91904
"611776"	650.09364	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+2K-H"	76.91904
"1096658"	267.97724	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2K-H"	76.91904
"150192"	230.021358	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"2M+2K"	77.926316
"594125"	325.550458	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"3M+2K"	77.926316
"1083258"	134.492258	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2K"	77.926316
"1112941"	269.991792	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2K+H"	78.933592
"1348232"	270.079407	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+DMSO+H"	79.021207
"1017858"	274.118576	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2ACN+H"	83.060376
"1533795"	275.112208	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+IsoProp+Na+H"	84.054008
"999150"	137.562926	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+2ACN+2H"	84.067652
"1600215"	276.026828	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+K+HCOOH"	84.968628
"1422595"	306.058338	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+H+CF3COOH"	115.000138
"1158350"	158.076201	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+3ACN+2H"	125.094202
"1708993"	323.084885	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+NH4+CF3COOH"	132.026685
"1643551"	328.04028	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+Na+CF3COOH"	136.98208
"1584670"	344.01422	"C05635"	"5-Hydroxyindoleacetate"	"C10H9NO3"	"191.0582"	"M+K+CF3COOH"	152.95602
"806287"	180.0899	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M"	0
"982009"	161.07151	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H2O-H"	-19.01839
"69157"	119.052657333333	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-3H"	-3.021828
"511998"	179.082624	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-3H"	-3.021828
"889800"	59.0226906666667	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-3H"	-3.021828
"12749"	179.082624	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H"	-2.014552
"451214"	269.127574	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H"	-2.014552
"825736"	89.037674	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H"	-2.014552
"84638"	359.172524	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-H"	-1.007276
"531856"	539.262424	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-H"	-1.007276
"908565"	179.082624	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H"	-1.007276
"61242"	376.199071	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H+NH4"	16.019271
"499220"	556.288971	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H+NH4"	16.019271
"872647"	196.109171	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H+NH4"	16.019271
"36902"	381.154466	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H+Na"	20.974666
"475367"	561.244366	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H+Na"	20.974666
"860099"	201.064566	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H+Na"	20.974666
"1629632"	201.064566	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na-2H"	20.974666
"107257"	197.070963	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-H+Cl"	33.962126
"543538"	287.115913	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-H+Cl"	33.962126
"940334"	107.026013	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+Cl"	33.962126
"276706"	395.149202	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Cl"	34.969402
"671315"	575.239102	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+Cl"	34.969402
"1281529"	215.059302	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl"	34.969402
"26275"	397.128406	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H+K"	36.948606
"467300"	577.218306	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H+K"	36.948606
"845101"	217.038506	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H+K"	36.948606
"1566033"	217.038506	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K-2H"	36.948606
"956107"	225.088094	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+HCOOH"	44.998194
"371038"	405.178001	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+HCOOH-H"	44.998201
"356021"	419.193651	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Hac-H"	59.013851
"1503759"	239.103751	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Hac-H"	59.013851
"970203"	247.070051	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+NaCOOH"	66.980151
"123852"	215.059302	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2Cl"	69.938804
"561950"	305.104252	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2Cl"	69.938804
"1034031"	125.014352	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2Cl"	69.938804
"1251423"	259.008785	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Br"	78.918885
"1314965"	261.064772	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl+HCOOH"	80.974872
"1328087"	283.046729	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl+NaCOOH"	102.956829
"919146"	293.075486	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+CF3COOH"	112.985586
"1290387"	329.052164	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl+CF3COOH"	148.962264
"1375111"	145.077224	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H-2H2O"	-35.012676
"1390422"	163.0872	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H-H2O"	-17.0027
"287920"	361.187076	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H"	1.007276
"685822"	541.276976	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H"	1.007276
"1358886"	181.097176	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H"	1.007276
"132870"	181.097176	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2H"	2.014552
"575717"	271.142126	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2H"	2.014552
"1051080"	91.052226	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2H"	2.014552
"217525"	121.067209333333	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+3H"	3.021828
"658178"	181.097176	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+3H"	3.021828
"1178131"	61.0372426666667	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+3H"	3.021828
"438607"	378.213623	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+NH4"	18.033823
"798386"	558.303523	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+NH4"	18.033823
"1692895"	198.123723	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+NH4"	18.033823
"341172"	189.6104495	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H+NH4"	19.041099
"731405"	279.6553995	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H+NH4"	19.041099
"1485227"	99.5654995	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+NH4"	19.041099
"403903"	383.169018	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Na"	22.989218
"762715"	563.258918	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+Na"	22.989218
"1617494"	203.079118	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na"	22.989218
"328138"	192.088147	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H+Na"	23.996494
"719463"	282.133097	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H+Na"	23.996494
"1473647"	102.043197	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+Na"	23.996494
"1060329"	68.3645566666667	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2H+Na"	25.00377
"1264194"	213.123386	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+CH3OH+H"	33.033486
"379868"	399.142958	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+K"	38.963158
"743778"	579.232858	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+K"	38.963158
"1546925"	219.053058	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K"	38.963158
"303007"	200.075117	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H+K"	39.970434
"694334"	290.120067	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H+K"	39.970434
"1449248"	110.030167	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+K"	39.970434
"243316"	402.213626	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+ACN+H"	42.033826
"1217119"	222.123726	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+ACN+H"	42.033826
"1202095"	111.565501	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+ACN+2H"	43.041102
"199336"	405.15096	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2Na-H"	44.97116
"642058"	585.24086	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2Na-H"	44.97116
"1142400"	225.06106	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2Na-H"	44.97116
"181317"	203.079118	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2Na"	45.978436
"619052"	293.124068	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2Na"	45.978436
"1120735"	113.034168	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2Na"	45.978436
"1406806"	75.6918706666667	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+2Na"	46.985712
"1435650"	227.102646	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+HCOOH"	47.012746
"225344"	208.11214	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+3H2O+2H"	56.04448
"1515593"	241.15469	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+IsoProp+H"	61.06479
"418563"	211.066088	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Na+K"	61.952376
"773007"	301.111038	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+Na+K"	61.952376
"1670063"	121.021138	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na+K"	61.952376
"259135"	424.195568	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+ACN+Na"	64.015768
"1232939"	244.105668	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+ACN+Na"	64.015768
"1720731"	244.129193	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+NH4+HCOOH"	64.039293
"1187181"	83.0191846666667	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+3Na"	68.967654
"1658170"	249.084588	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na+HCOOH"	68.994688
"169410"	437.09884	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2K-H"	76.91904
"608970"	617.18874	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2K-H"	76.91904
"1098106"	257.00894	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2K-H"	76.91904
"149209"	219.053058	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2K"	77.926316
"593142"	309.098008	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2K"	77.926316
"1082639"	129.008108	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2K"	77.926316
"1111958"	259.023492	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2K+H"	78.933592
"1347249"	259.111107	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+DMSO+H"	79.021207
"1017967"	263.150276	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2ACN+H"	83.060376
"1534998"	264.143908	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+IsoProp+Na+H"	84.054008
"999259"	132.078776	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2ACN+2H"	84.067652
"1600325"	265.058528	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K+HCOOH"	84.968628
"1423798"	295.090038	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+CF3COOH"	115.000138
"1158460"	152.592051	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+3ACN+2H"	125.094202
"1709103"	312.116585	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+NH4+CF3COOH"	132.026685
"1643661"	317.07198	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na+CF3COOH"	136.98208
"1584780"	333.04592	"C05636"	"3-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K+CF3COOH"	152.95602
"808584"	161.0477	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M"	0
"982119"	142.02931	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-H2O-H"	-19.01839
"70360"	106.357857333333	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M-3H"	-3.021828
"512108"	160.040424	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M-3H"	-3.021828
"889910"	52.6752906666667	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-3H"	-3.021828
"13588"	160.040424	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M-2H"	-2.014552
"451324"	240.564274	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M-2H"	-2.014552
"825846"	79.516574	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-2H"	-2.014552
"84748"	321.088124	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M-H"	-1.007276
"527590"	482.135824	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M-H"	-1.007276
"910629"	160.040424	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-H"	-1.007276
"60864"	338.114671	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M-2H+NH4"	16.019271
"493863"	499.162371	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M-2H+NH4"	16.019271
"876037"	177.066971	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-2H+NH4"	16.019271
"36648"	343.070066	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M-2H+Na"	20.974666
"476208"	504.117766	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M-2H+Na"	20.974666
"856929"	182.022366	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-2H+Na"	20.974666
"1633023"	182.022366	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Na-2H"	20.974666
"104086"	178.028763	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M-H+Cl"	33.962126
"538180"	258.552613	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M-H+Cl"	33.962126
"933882"	97.504913	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-H+Cl"	33.962126
"279731"	357.064802	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+Cl"	34.969402
"670329"	518.112502	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+Cl"	34.969402
"1281640"	196.017102	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Cl"	34.969402
"28571"	359.044006	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M-2H+K"	36.948606
"467410"	520.091706	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M-2H+K"	36.948606
"845211"	197.996306	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-2H+K"	36.948606
"1566143"	197.996306	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+K-2H"	36.948606
"956945"	206.045894	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-H+HCOOH"	44.998194
"375523"	367.093601	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+HCOOH-H"	44.998201
"356131"	381.109251	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+Hac-H"	59.013851
"1505692"	220.061551	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Hac-H"	59.013851
"972499"	228.027851	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-H+NaCOOH"	66.980151
"123234"	196.017102	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+2Cl"	69.938804
"562060"	276.540952	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+2Cl"	69.938804
"1033048"	115.493252	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2Cl"	69.938804
"1250440"	239.966585	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Br"	78.918885
"1316170"	242.022572	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Cl+HCOOH"	80.974872
"1329292"	264.004529	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Cl+NaCOOH"	102.956829
"918163"	274.033286	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M-H+CF3COOH"	112.985586
"1293778"	310.009964	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Cl+CF3COOH"	148.962264
"1377410"	126.035024	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H-2H2O"	-35.012676
"1389440"	144.045	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H-H2O"	-17.0027
"290217"	323.102676	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+H"	1.007276
"682648"	484.150376	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+H"	1.007276
"1355716"	162.054976	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H"	1.007276
"129700"	162.054976	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+2H"	2.014552
"580814"	242.578826	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+2H"	2.014552
"1052161"	81.531126	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2H"	2.014552
"217996"	108.372409333333	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+3H"	3.021828
"659753"	162.054976	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+3H"	3.021828
"1178359"	54.6898426666667	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+3H"	3.021828
"439780"	340.129223	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+NH4"	18.033823
"800974"	501.176923	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+NH4"	18.033823
"1696739"	179.081523	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+NH4"	18.033823
"345052"	170.5682495	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+H+NH4"	19.041099
"735892"	251.0920995	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+H+NH4"	19.041099
"1488618"	90.0443995	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H+NH4"	19.041099
"407989"	345.084618	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+Na"	22.989218
"767199"	506.132318	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+Na"	22.989218
"1615297"	184.036918	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Na"	22.989218
"328248"	173.045947	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+H+Na"	23.996494
"719939"	253.569797	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+H+Na"	23.996494
"1474853"	92.522097	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H+Na"	23.996494
"1062629"	62.0171566666667	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2H+Na"	25.00377
"1265399"	194.081186	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+CH3OH+H"	33.033486
"382895"	361.058558	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+K"	38.963158
"747171"	522.106258	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+K"	38.963158
"1549222"	200.010858	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+K"	38.963158
"305306"	181.032917	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+H+K"	39.970434
"697724"	261.556767	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+H+K"	39.970434
"1451546"	100.509067	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H+K"	39.970434
"244521"	364.129226	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+ACN+H"	42.033826
"1224762"	203.081526	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+ACN+H"	42.033826
"1207673"	102.044401	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+ACN+2H"	43.041102
"202972"	367.06656	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+2Na-H"	44.97116
"642655"	528.11426	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+2Na-H"	44.97116
"1142510"	206.01886	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2Na-H"	44.97116
"181427"	184.036918	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+2Na"	45.978436
"619162"	264.560768	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+2Na"	45.978436
"1120481"	103.513068	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2Na"	45.978436
"1404729"	69.3444706666667	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H+2Na"	46.985712
"1434667"	208.060446	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H+HCOOH"	47.012746
"225454"	189.06994	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+3H2O+2H"	56.04448
"1513517"	222.11249	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+IsoProp+H"	61.06479
"416487"	192.023888	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+Na+K"	61.952376
"776390"	272.547738	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+Na+K"	61.952376
"1672723"	111.500038	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Na+K"	61.952376
"257058"	386.111168	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+ACN+Na"	64.015768
"1231956"	225.063468	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+ACN+Na"	64.015768
"1718655"	225.086993	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+NH4+HCOOH"	64.039293
"1185105"	76.6717846666667	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+3Na"	68.967654
"1657187"	230.042388	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Na+HCOOH"	68.994688
"172727"	399.01444	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+2K-H"	76.91904
"611997"	560.06214	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+2K-H"	76.91904
"1098580"	237.96674	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2K-H"	76.91904
"153694"	200.010858	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"2M+2K"	77.926316
"592160"	280.534708	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"3M+2K"	77.926316
"1081046"	119.487008	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2K"	77.926316
"1109882"	239.981292	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2K+H"	78.933592
"1346266"	240.068907	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+DMSO+H"	79.021207
"1019779"	244.108076	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2ACN+H"	83.060376
"1532922"	245.101708	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+IsoProp+Na+H"	84.054008
"999369"	122.557676	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+2ACN+2H"	84.067652
"1600435"	246.016328	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+K+HCOOH"	84.968628
"1423908"	276.047838	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+H+CF3COOH"	115.000138
"1160756"	143.070951	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+3ACN+2H"	125.094202
"1707026"	293.074385	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+NH4+CF3COOH"	132.026685
"1643771"	298.02978	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+Na+CF3COOH"	136.98208
"1584890"	314.00372	"C05637"	"48-Dihydroxyquinoline;Quinoline-48-diol"	"C9H7NO2"	"161.0477"	"M+K+CF3COOH"	152.95602
"814162"	180.0899	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M"	0
"985509"	161.07151	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H2O-H"	-19.01839
"69377"	119.052657333333	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-3H"	-3.021828
"511123"	179.082624	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-3H"	-3.021828
"886740"	59.0226906666667	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-3H"	-3.021828
"7501"	179.082624	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H"	-2.014552
"444872"	269.127574	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H"	-2.014552
"820488"	89.037674	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H"	-2.014552
"80598"	359.172524	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-H"	-1.007276
"522232"	539.262424	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-H"	-1.007276
"911351"	179.082624	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H"	-1.007276
"55506"	376.199071	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H+NH4"	16.019271
"495066"	556.288971	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H+NH4"	16.019271
"866668"	196.109171	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H+NH4"	16.019271
"33474"	381.154466	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H+Na"	20.974666
"473034"	561.244366	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H+Na"	20.974666
"863600"	201.064566	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H+Na"	20.974666
"1627665"	201.064566	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na-2H"	20.974666
"106384"	197.070963	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-H+Cl"	33.962126
"536467"	287.115913	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-H+Cl"	33.962126
"931805"	107.026013	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+Cl"	33.962126
"278018"	395.149202	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Cl"	34.969402
"667159"	575.239102	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+Cl"	34.969402
"1283936"	215.059302	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl"	34.969402
"21025"	397.128406	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M-2H+K"	36.948606
"469342"	577.218306	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M-2H+K"	36.948606
"846413"	217.038506	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-2H+K"	36.948606
"1564066"	217.038506	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K-2H"	36.948606
"957055"	225.088094	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+HCOOH"	44.998194
"375998"	405.178001	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+HCOOH-H"	44.998201
"358429"	419.193651	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Hac-H"	59.013851
"1506166"	239.103751	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Hac-H"	59.013851
"972609"	247.070051	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+NaCOOH"	66.980151
"125286"	215.059302	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2Cl"	69.938804
"562170"	305.104252	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2Cl"	69.938804
"1035346"	125.014352	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2Cl"	69.938804
"1255898"	259.008785	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Br"	78.918885
"1317374"	261.064772	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl+HCOOH"	80.974872
"1331589"	283.046729	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl+NaCOOH"	102.956829
"920460"	293.075486	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M-H+CF3COOH"	112.985586
"1291336"	329.052164	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Cl+CF3COOH"	148.962264
"1374240"	145.077224	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H-2H2O"	-35.012676
"1386270"	163.0872	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H-H2O"	-17.0027
"290327"	361.187076	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H"	1.007276
"683487"	541.276976	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H"	1.007276
"1355825"	181.097176	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H"	1.007276
"130901"	181.097176	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2H"	2.014552
"581178"	271.142126	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2H"	2.014552
"1046921"	91.052226	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2H"	2.014552
"208260"	121.067209333333	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+3H"	3.021828
"659822"	181.097176	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+3H"	3.021828
"1178431"	61.0372426666667	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+3H"	3.021828
"439803"	378.213623	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+NH4"	18.033823
"800921"	558.303523	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+NH4"	18.033823
"1696809"	198.123723	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+NH4"	18.033823
"345041"	189.6104495	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H+NH4"	19.041099
"738399"	279.6553995	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H+NH4"	19.041099
"1489457"	99.5654995	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+NH4"	19.041099
"405221"	383.169018	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Na"	22.989218
"769619"	563.258918	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+Na"	22.989218
"1616137"	203.079118	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na"	22.989218
"329088"	192.088147	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H+Na"	23.996494
"720049"	282.133097	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H+Na"	23.996494
"1474235"	102.043197	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+Na"	23.996494
"1063832"	68.3645566666667	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2H+Na"	25.00377
"1265509"	213.123386	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+CH3OH+H"	33.033486
"387379"	399.142958	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+K"	38.963158
"745094"	579.232858	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+K"	38.963158
"1548239"	219.053058	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K"	38.963158
"312705"	200.075117	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+H+K"	39.970434
"696743"	290.120067	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+H+K"	39.970434
"1452749"	110.030167	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+K"	39.970434
"247912"	402.213626	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+ACN+H"	42.033826
"1223900"	222.123726	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+ACN+H"	42.033826
"1205597"	111.565501	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+ACN+2H"	43.041102
"203083"	405.15096	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2Na-H"	44.97116
"640940"	585.24086	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2Na-H"	44.97116
"1141893"	225.06106	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2Na-H"	44.97116
"184091"	203.079118	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2Na"	45.978436
"618910"	293.124068	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2Na"	45.978436
"1121320"	113.034168	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2Na"	45.978436
"1404842"	75.6918706666667	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+2Na"	46.985712
"1440974"	227.102646	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+HCOOH"	47.012746
"224471"	208.11214	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+3H2O+2H"	56.04448
"1513627"	241.15469	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+IsoProp+H"	61.06479
"408619"	211.066088	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+Na+K"	61.952376
"771032"	301.111038	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+Na+K"	61.952376
"1670646"	121.021138	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na+K"	61.952376
"256438"	424.195568	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+ACN+Na"	64.015768
"1228786"	244.105668	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+ACN+Na"	64.015768
"1719856"	244.129193	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+NH4+HCOOH"	64.039293
"1185579"	83.0191846666667	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+3Na"	68.967654
"1658389"	249.084588	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na+HCOOH"	68.994688
"172307"	437.09884	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2K-H"	76.91904
"612474"	617.18874	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2K-H"	76.91904
"1099052"	257.00894	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2K-H"	76.91904
"156728"	219.053058	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"2M+2K"	77.926316
"595551"	309.098008	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"3M+2K"	77.926316
"1083953"	129.008108	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2K"	77.926316
"1109992"	259.023492	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2K+H"	78.933592
"1346376"	259.111107	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+DMSO+H"	79.021207
"1017093"	263.150276	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2ACN+H"	83.060376
"1533032"	264.143908	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+IsoProp+Na+H"	84.054008
"999479"	132.078776	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+2ACN+2H"	84.067652
"1600545"	265.058528	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K+HCOOH"	84.968628
"1425113"	295.090038	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+H+CF3COOH"	115.000138
"1158681"	152.592051	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+3ACN+2H"	125.094202
"1710055"	312.116585	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+NH4+CF3COOH"	132.026685
"1647161"	317.07198	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+Na+CF3COOH"	136.98208
"1585000"	333.04592	"C05638"	"5-Hydroxykynurenamine"	"C9H12N2O2"	"180.0899"	"M+K+CF3COOH"	152.95602
"805524"	161.0477	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M"	0
"982339"	142.02931	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-H2O-H"	-19.01839
"74954"	106.357857333333	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M-3H"	-3.021828
"515607"	160.040424	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M-3H"	-3.021828
"887943"	52.6752906666667	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-3H"	-3.021828
"7611"	160.040424	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M-2H"	-2.014552
"444982"	240.564274	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M-2H"	-2.014552
"821691"	79.516574	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-2H"	-2.014552
"79861"	321.088124	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M-H"	-1.007276
"521249"	482.135824	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M-H"	-1.007276
"910599"	160.040424	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-H"	-1.007276
"59990"	338.114671	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M-2H+NH4"	16.019271
"495176"	499.162371	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M-2H+NH4"	16.019271
"866049"	177.066971	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-2H+NH4"	16.019271
"33219"	343.070066	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M-2H+Na"	20.974666
"473508"	504.117766	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M-2H+Na"	20.974666
"863710"	182.022366	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-2H+Na"	20.974666
"1624495"	182.022366	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Na-2H"	20.974666
"108924"	178.028763	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M-H+Cl"	33.962126
"541680"	258.552613	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M-H+Cl"	33.962126
"935195"	97.504913	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-H+Cl"	33.962126
"278128"	357.064802	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+Cl"	34.969402
"667269"	518.112502	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+Cl"	34.969402
"1284046"	196.017102	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Cl"	34.969402
"20039"	359.044006	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M-2H+K"	36.948606
"458506"	520.091706	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M-2H+K"	36.948606
"839590"	197.996306	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-2H+K"	36.948606
"1563080"	197.996306	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+K-2H"	36.948606
"957408"	206.045894	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-H+HCOOH"	44.998194
"373556"	367.093601	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+HCOOH-H"	44.998201
"360480"	381.109251	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+Hac-H"	59.013851
"1506275"	220.061551	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Hac-H"	59.013851
"972719"	228.027851	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-H+NaCOOH"	66.980151
"121627"	196.017102	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+2Cl"	69.938804
"561187"	276.540952	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+2Cl"	69.938804
"1033269"	115.493252	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2Cl"	69.938804
"1256128"	239.966585	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Br"	78.918885
"1316390"	242.022572	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Cl+HCOOH"	80.974872
"1330605"	264.004529	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Cl+NaCOOH"	102.956829
"917290"	274.033286	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M-H+CF3COOH"	112.985586
"1293998"	310.009964	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Cl+CF3COOH"	148.962264
"1377630"	126.035024	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H-2H2O"	-35.012676
"1389660"	144.045	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H-H2O"	-17.0027
"289344"	323.102676	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+H"	1.007276
"681771"	484.150376	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+H"	1.007276
"1358122"	162.054976	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H"	1.007276
"129917"	162.054976	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+2H"	2.014552
"572760"	242.578826	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+2H"	2.014552
"1040468"	81.531126	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2H"	2.014552
"211647"	108.372409333333	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+3H"	3.021828
"651208"	162.054976	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+3H"	3.021828
"1163864"	54.6898426666667	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+3H"	3.021828
"439752"	340.129223	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+NH4"	18.033823
"799444"	501.176923	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+NH4"	18.033823
"1696992"	179.081523	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+NH4"	18.033823
"345153"	170.5682495	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+H+NH4"	19.041099
"738497"	251.0920995	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+H+NH4"	19.041099
"1489203"	90.0443995	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H+NH4"	19.041099
"408510"	345.084618	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+Na"	22.989218
"769489"	506.132318	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+Na"	22.989218
"1618431"	184.036918	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Na"	22.989218
"329445"	173.045947	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+H+Na"	23.996494
"721864"	253.569797	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+H+Na"	23.996494
"1475074"	92.522097	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H+Na"	23.996494
"1064308"	62.0171566666667	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2H+Na"	25.00377
"1263433"	194.081186	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+CH3OH+H"	33.033486
"384209"	361.058558	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+K"	38.963158
"743017"	522.106258	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+K"	38.963158
"1547254"	200.010858	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+K"	38.963158
"312086"	181.032917	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+H+K"	39.970434
"697946"	261.556767	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+H+K"	39.970434
"1451765"	100.509067	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H+K"	39.970434
"243648"	364.129226	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+ACN+H"	42.033826
"1224375"	203.081526	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+ACN+H"	42.033826
"1206436"	102.044401	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+ACN+2H"	43.041102
"203194"	367.06656	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+2Na-H"	44.97116
"641657"	528.11426	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+2Na-H"	44.97116
"1141638"	206.01886	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2Na-H"	44.97116
"183836"	184.036918	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+2Na"	45.978436
"619384"	264.560768	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+2Na"	45.978436
"1119971"	103.513068	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2Na"	45.978436
"1404950"	69.3444706666667	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H+2Na"	46.985712
"1442908"	208.060446	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H+HCOOH"	47.012746
"225675"	189.06994	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+3H2O+2H"	56.04448
"1513737"	222.11249	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+IsoProp+H"	61.06479
"414522"	192.023888	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+Na+K"	61.952376
"773330"	272.547738	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+Na+K"	61.952376
"1672943"	111.500038	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Na+K"	61.952376
"252902"	386.111168	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+ACN+Na"	64.015768
"1229257"	225.063468	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+ACN+Na"	64.015768
"1713403"	225.086993	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+NH4+HCOOH"	64.039293
"1185325"	76.6717846666667	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+3Na"	68.967654
"1658499"	230.042388	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Na+HCOOH"	68.994688
"172618"	399.01444	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+2K-H"	76.91904
"612588"	560.06214	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+2K-H"	76.91904
"1099043"	237.96674	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2K-H"	76.91904
"155861"	200.010858	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"2M+2K"	77.926316
"596270"	280.534708	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"3M+2K"	77.926316
"1083818"	119.487008	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2K"	77.926316
"1106822"	239.981292	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2K+H"	78.933592
"1348673"	240.068907	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+DMSO+H"	79.021207
"1015017"	244.108076	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2ACN+H"	83.060376
"1532048"	245.101708	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+IsoProp+Na+H"	84.054008
"997402"	122.557676	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+2ACN+2H"	84.067652
"1597373"	246.016328	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+K+HCOOH"	84.968628
"1423036"	276.047838	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+H+CF3COOH"	115.000138
"1158791"	143.070951	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+3ACN+2H"	125.094202
"1710894"	293.074385	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+NH4+CF3COOH"	132.026685
"1643991"	298.02978	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+Na+CF3COOH"	136.98208
"1585110"	314.00372	"C05639"	"46-Dihydroxyquinoline;Quinoline-46-diol"	"C9H7NO2"	"161.0477"	"M+K+CF3COOH"	152.95602
"805634"	300.0382	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M"	0
"988281"	281.01981	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-H2O-H"	-19.01839
"71784"	199.018190666667	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M-3H"	-3.021828
"509157"	299.030924	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M-3H"	-3.021828
"890240"	99.0054573333333	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-3H"	-3.021828
"7721"	299.030924	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M-2H"	-2.014552
"443999"	449.050024	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M-2H"	-2.014552
"821801"	149.011824	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-2H"	-2.014552
"79606"	599.069124	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M-H"	-1.007276
"519656"	899.107324	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M-H"	-1.007276
"908526"	299.030924	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-H"	-1.007276
"60100"	616.095671	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M-2H+NH4"	16.019271
"495286"	916.133871	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M-2H+NH4"	16.019271
"865795"	316.057471	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-2H+NH4"	16.019271
"33329"	621.051066	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M-2H+Na"	20.974666
"473254"	921.089266	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M-2H+Na"	20.974666
"860176"	321.012866	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-2H+Na"	20.974666
"1624605"	321.012866	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Na-2H"	20.974666
"104051"	317.019263	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M-H+Cl"	33.962126
"545070"	467.038363	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M-H+Cl"	33.962126
"932024"	167.000163	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-H+Cl"	33.962126
"278239"	635.045802	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+Cl"	34.969402
"665190"	935.084002	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+Cl"	34.969402
"1279781"	335.007602	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Cl"	34.969402
"16988"	637.025006	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M-2H+K"	36.948606
"458616"	937.063206	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M-2H+K"	36.948606
"835325"	336.986806	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-2H+K"	36.948606
"1557718"	336.986806	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+K-2H"	36.948606
"947064"	345.036394	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-H+HCOOH"	44.998194
"374759"	645.074601	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+HCOOH-H"	44.998201
"359740"	659.090251	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+Hac-H"	59.013851
"1506382"	359.052051	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Hac-H"	59.013851
"970642"	367.018351	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-H+NaCOOH"	66.980151
"117362"	335.007602	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+2Cl"	69.938804
"559109"	485.026702	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+2Cl"	69.938804
"1033379"	184.988502	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2Cl"	69.938804
"1255146"	378.957085	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Br"	78.918885
"1318686"	381.013072	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Cl+HCOOH"	80.974872
"1330714"	402.995029	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Cl+NaCOOH"	102.956829
"914119"	413.023786	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M-H+CF3COOH"	112.985586
"1291921"	449.000464	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Cl+CF3COOH"	148.962264
"1375553"	265.025524	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H-2H2O"	-35.012676
"1388676"	283.0355	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H-H2O"	-17.0027
"290547"	601.083676	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+H"	1.007276
"681881"	901.121876	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+H"	1.007276
"1359325"	301.045476	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H"	1.007276
"131120"	301.045476	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+2H"	2.014552
"572870"	451.064576	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+2H"	2.014552
"1039484"	151.026376	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2H"	2.014552
"209571"	201.032742666667	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+3H"	3.021828
"651318"	301.045476	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+3H"	3.021828
"1165067"	101.020009333333	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+3H"	3.021828
"435637"	618.110223	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+NH4"	18.033823
"793716"	918.148423	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+NH4"	18.033823
"1686766"	318.072023	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+NH4"	18.033823
"343799"	309.5587495	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+H+NH4"	19.041099
"737560"	459.5778495	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+H+NH4"	19.041099
"1491138"	159.5396495	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H+NH4"	19.041099
"408006"	623.065618	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+Na"	22.989218
"769645"	923.103818	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+Na"	22.989218
"1618228"	323.027418	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Na"	22.989218
"329316"	312.036447	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+H+Na"	23.996494
"720637"	462.055547	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+H+Na"	23.996494
"1473727"	162.017347	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H+Na"	23.996494
"1064053"	108.347323333333	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2H+Na"	25.00377
"1261357"	333.071686	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+CH3OH+H"	33.033486
"381039"	639.039558	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+K"	38.963158
"743127"	939.077758	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+K"	38.963158
"1548457"	339.001358	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+K"	38.963158
"312927"	320.023417	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+H+K"	39.970434
"703889"	470.042517	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+H+K"	39.970434
"1458075"	170.004317	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H+K"	39.970434
"243758"	642.110226	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+ACN+H"	42.033826
"1223275"	342.072026	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+ACN+H"	42.033826
"1206546"	171.539651	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+ACN+2H"	43.041102
"201602"	645.04756	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+2Na-H"	44.97116
"641523"	945.08576	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+2Na-H"	44.97116
"1140655"	345.00936	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2Na-H"	44.97116
"185768"	323.027418	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+2Na"	45.978436
"620224"	473.046518	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+2Na"	45.978436
"1118260"	173.008318	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2Na"	45.978436
"1404331"	115.674637333333	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H+2Na"	46.985712
"1434997"	347.050946	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H+HCOOH"	47.012746
"225785"	328.06044	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+3H2O+2H"	56.04448
"1513847"	361.10299	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+IsoProp+H"	61.06479
"416819"	331.014388	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+Na+K"	61.952376
"773440"	481.033488	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+Na+K"	61.952376
"1670866"	180.995288	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Na+K"	61.952376
"255200"	664.092168	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+ACN+Na"	64.015768
"1229003"	364.053968	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+ACN+Na"	64.015768
"1713187"	364.077493	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+NH4+HCOOH"	64.039293
"1185435"	123.001951333333	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+3Na"	68.967654
"1658609"	369.032888	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Na+HCOOH"	68.994688
"171917"	676.99544	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+2K-H"	76.91904
"607222"	977.03364	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+2K-H"	76.91904
"1099275"	376.95724	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2K-H"	76.91904
"156902"	339.001358	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"2M+2K"	77.926316
"594678"	489.020458	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"3M+2K"	77.926316
"1083687"	188.982258	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2K"	77.926316
"1108026"	378.971792	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2K+H"	78.933592
"1348420"	379.059407	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+DMSO+H"	79.021207
"1019137"	383.098576	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2ACN+H"	83.060376
"1534345"	384.092208	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+IsoProp+Na+H"	84.054008
"999699"	192.052926	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+2ACN+2H"	84.067652
"1593110"	385.006828	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+K+HCOOH"	84.968628
"1419865"	415.038338	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+H+CF3COOH"	115.000138
"1156714"	212.566201	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+3ACN+2H"	125.094202
"1709545"	432.064885	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+NH4+CF3COOH"	132.026685
"1646288"	437.02028	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+Na+CF3COOH"	136.98208
"1585220"	452.99422	"C05640"	"Cinnavalininate;Cinnabarinic acid"	"C14H8N2O6"	"300.0382"	"M+K+CF3COOH"	152.95602
"805744"	253.0223	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M"	0
"980369"	234.00391	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-H2O-H"	-19.01839
"69704"	167.674257333333	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M-3H"	-3.021828
"505984"	252.015024	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M-3H"	-3.021828
"880868"	83.3334906666667	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-3H"	-3.021828
"3819"	252.015024	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M-2H"	-2.014552
"442648"	378.526174	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M-2H"	-2.014552
"820088"	125.503874	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-2H"	-2.014552
"81540"	505.037324	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M-H"	-1.007276
"521467"	758.059624	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M-H"	-1.007276
"909243"	252.015024	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-H"	-1.007276
"60210"	522.063871	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M-2H+NH4"	16.019271
"496489"	775.086171	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M-2H+NH4"	16.019271
"866755"	269.041571	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-2H+NH4"	16.019271
"34531"	527.019266	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M-2H+Na"	20.974666
"474455"	780.041566	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M-2H+Na"	20.974666
"860650"	273.996966	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-2H+Na"	20.974666
"1624715"	273.996966	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Na-2H"	20.974666
"104525"	270.003363	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M-H+Cl"	33.962126
"541900"	396.514513	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M-H+Cl"	33.962126
"932134"	143.492213	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-H+Cl"	33.962126
"272881"	541.014002	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+Cl"	34.969402
"663478"	794.036302	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+Cl"	34.969402
"1278797"	287.991702	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Cl"	34.969402
"18070"	542.993206	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M-2H+K"	36.948606
"457632"	796.015506	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M-2H+K"	36.948606
"836528"	289.970906	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-2H+K"	36.948606
"1557460"	289.970906	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+K-2H"	36.948606
"944983"	298.020494	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-H+HCOOH"	44.998194
"362470"	551.042801	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+HCOOH-H"	44.998201
"348174"	565.058451	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+Hac-H"	59.013851
"1494821"	312.036151	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Hac-H"	59.013851
"962729"	320.002451	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-H+NaCOOH"	66.980151
"113094"	287.991702	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+2Cl"	69.938804
"551559"	414.502852	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+2Cl"	69.938804
"1029112"	161.480552	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2Cl"	69.938804
"1250878"	331.941185	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Br"	78.918885
"1310411"	333.997172	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Cl+HCOOH"	80.974872
"1326449"	355.979129	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Cl+NaCOOH"	102.956829
"920789"	366.007886	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M-H+CF3COOH"	112.985586
"1289841"	401.984564	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Cl+CF3COOH"	148.962264
"1373474"	218.009624	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H-2H2O"	-35.012676
"1389878"	236.0196	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H-H2O"	-17.0027
"285553"	507.051876	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+H"	1.007276
"684177"	760.074176	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+H"	1.007276
"1360528"	254.029576	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H"	1.007276
"131229"	254.029576	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+2H"	2.014552
"569698"	380.540726	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+2H"	2.014552
"1038620"	127.518426	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2H"	2.014552
"209679"	169.688809333333	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+3H"	3.021828
"649241"	254.029576	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+3H"	3.021828
"1165177"	85.3480426666667	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+3H"	3.021828
"436841"	524.078423	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+NH4"	18.033823
"797106"	777.100723	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+NH4"	18.033823
"1685783"	271.056123	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+NH4"	18.033823
"344640"	262.5428495	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+H+NH4"	19.041099
"737301"	389.0539995	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+H+NH4"	19.041099
"1490146"	136.0316995	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H+NH4"	19.041099
"407742"	529.033818	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+Na"	22.989218
"769316"	782.056118	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+Na"	22.989218
"1617690"	276.011518	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Na"	22.989218
"329309"	265.020547	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+H+Na"	23.996494
"722095"	391.531697	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+H+Na"	23.996494
"1476512"	138.509397	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H+Na"	23.996494
"1065986"	92.6753566666667	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2H+Na"	25.00377
"1262559"	286.055786	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+CH3OH+H"	33.033486
"392197"	545.007758	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+K"	38.963158
"744329"	798.030058	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+K"	38.963158
"1547474"	291.985458	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+K"	38.963158
"309756"	273.007517	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+H+K"	39.970434
"705457"	399.518667	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+H+K"	39.970434
"1460009"	146.496367	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H+K"	39.970434
"244961"	548.078426	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+ACN+H"	42.033826
"1223507"	295.056126	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+ACN+H"	42.033826
"1207752"	148.031701	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+ACN+2H"	43.041102
"202441"	551.01576	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+2Na-H"	44.97116
"641633"	804.03806	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+2Na-H"	44.97116
"1140765"	297.99346	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2Na-H"	44.97116
"185149"	276.011518	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+2Na"	45.978436
"622521"	402.522668	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+2Na"	45.978436
"1121650"	149.500368	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2Na"	45.978436
"1402984"	100.002670666667	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H+2Na"	46.985712
"1435107"	300.035046	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H+HCOOH"	47.012746
"225895"	281.04454	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+3H2O+2H"	56.04448
"1511403"	314.08709	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+IsoProp+H"	61.06479
"418023"	283.998488	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+Na+K"	61.952376
"774644"	410.509638	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+Na+K"	61.952376
"1669883"	157.487338	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Na+K"	61.952376
"254217"	570.060368	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+ACN+Na"	64.015768
"1228020"	317.038068	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+ACN+Na"	64.015768
"1713623"	317.061593	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+NH4+HCOOH"	64.039293
"1185542"	107.329984666667	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+3Na"	68.967654
"1658719"	322.016988	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Na+HCOOH"	68.994688
"171426"	582.96364	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+2K-H"	76.91904
"610611"	835.98594	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+2K-H"	76.91904
"1098292"	329.94134	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2K-H"	76.91904
"156079"	291.985458	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"2M+2K"	77.926316
"596489"	418.496608	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"3M+2K"	77.926316
"1083429"	165.474308	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2K"	77.926316
"1109229"	331.955892	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2K+H"	78.933592
"1348532"	332.043507	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+DMSO+H"	79.021207
"1018885"	336.082676	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2ACN+H"	83.060376
"1535549"	337.076308	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+IsoProp+Na+H"	84.054008
"995436"	168.544976	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+2ACN+2H"	84.067652
"1593220"	337.990928	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+K+HCOOH"	84.968628
"1419975"	368.022438	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+H+CF3COOH"	115.000138
"1156824"	189.058251	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+3ACN+2H"	125.094202
"1709655"	385.048985	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+NH4+CF3COOH"	132.026685
"1646398"	390.00438	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+Na+CF3COOH"	136.98208
"1585330"	405.97832	"C05641"	"5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypicolinate;5-(3-Carboxy-3-oxopropenyl)-46-dihydroxypyridine-2-carboxylate"	"C10H7NO7"	"253.0223"	"M+K+CF3COOH"	152.95602
"805854"	264.111	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M"	0
"979386"	245.09261	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-H2O-H"	-19.01839
"69814"	175.066724	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M-3H"	-3.021828
"510469"	263.103724	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M-3H"	-3.021828
"884991"	87.029724	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-3H"	-3.021828
"2473"	263.103724	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M-2H"	-2.014552
"443125"	395.159224	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M-2H"	-2.014552
"819833"	131.048224	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-2H"	-2.014552
"81651"	527.214724	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M-H"	-1.007276
"521942"	791.325724	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M-H"	-1.007276
"904850"	263.103724	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-H"	-1.007276
"60199"	544.241271	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M-2H+NH4"	16.019271
"496599"	808.352271	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M-2H+NH4"	16.019271
"867107"	280.130271	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-2H+NH4"	16.019271
"34766"	549.196666	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M-2H+Na"	20.974666
"474565"	813.307666	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M-2H+Na"	20.974666
"860760"	285.085666	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-2H+Na"	20.974666
"1627011"	285.085666	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Na-2H"	20.974666
"104635"	281.092063	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M-H+Cl"	33.962126
"538729"	413.147563	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M-H+Cl"	33.962126
"932244"	149.036563	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-H+Cl"	33.962126
"277364"	563.191402	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+Cl"	34.969402
"666503"	827.302402	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+Cl"	34.969402
"1278907"	299.080402	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Cl"	34.969402
"19273"	565.170606	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M-2H+K"	36.948606
"459929"	829.281606	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M-2H+K"	36.948606
"836273"	301.059606	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-2H+K"	36.948606
"1556842"	301.059606	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+K-2H"	36.948606
"947643"	309.109194	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-H+HCOOH"	44.998194
"366225"	573.220201	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+HCOOH-H"	44.998201
"349377"	587.235851	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+Hac-H"	59.013851
"1496751"	323.124851	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Hac-H"	59.013851
"961378"	331.091151	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-H+NaCOOH"	66.980151
"111377"	299.080402	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+2Cl"	69.938804
"552033"	431.135902	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+2Cl"	69.938804
"1030315"	167.024902	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2Cl"	69.938804
"1246612"	343.029885	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Br"	78.918885
"1310521"	345.085872	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Cl+HCOOH"	80.974872
"1325100"	367.067829	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Cl+NaCOOH"	102.956829
"919805"	377.096586	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M-H+CF3COOH"	112.985586
"1289951"	413.073264	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Cl+CF3COOH"	148.962264
"1370668"	229.098324	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H-2H2O"	-35.012676
"1385978"	247.1083	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H-H2O"	-17.0027
"284935"	529.229276	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+H"	1.007276
"676629"	793.340276	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+H"	1.007276
"1351887"	265.118276	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H"	1.007276
"125819"	265.118276	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+2H"	2.014552
"569808"	397.173776	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+2H"	2.014552
"1039700"	133.062776	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2H"	2.014552
"206142"	177.081276	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+3H"	3.021828
"651538"	265.118276	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+3H"	3.021828
"1165286"	89.044276	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+3H"	3.021828
"435128"	546.255823	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+NH4"	18.033823
"793936"	810.366823	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+NH4"	18.033823
"1688078"	282.144823	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+NH4"	18.033823
"345113"	273.6315495	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+H+NH4"	19.041099
"737531"	405.6870495	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+H+NH4"	19.041099
"1490256"	141.5760495	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H+NH4"	19.041099
"408332"	551.211218	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+Na"	22.989218
"769746"	815.322218	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+Na"	22.989218
"1617920"	287.100218	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Na"	22.989218
"329164"	276.109247	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+H+Na"	23.996494
"722192"	408.164747	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+H+Na"	23.996494
"1476785"	144.053747	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H+Na"	23.996494
"1065366"	96.37159	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2H+Na"	25.00377
"1264855"	297.144486	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+CH3OH+H"	33.033486
"382337"	567.185158	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+K"	38.963158
"742252"	831.296158	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+K"	38.963158
"1544303"	303.074158	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+K"	38.963158
"305852"	284.096217	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+H+K"	39.970434
"700460"	416.151717	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+H+K"	39.970434
"1451000"	152.040717	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H+K"	39.970434
"239603"	570.255826	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+ACN+H"	42.033826
"1222883"	306.144826	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+ACN+H"	42.033826
"1207128"	153.576051	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+ACN+2H"	43.041102
"199999"	573.19316	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+2Na-H"	44.97116
"642836"	837.30416	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+2Na-H"	44.97116
"1141969"	309.08216	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2Na-H"	44.97116
"183072"	287.100218	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+2Na"	45.978436
"621537"	419.155718	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+2Na"	45.978436
"1122854"	155.044718	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2Na"	45.978436
"1403095"	103.698904	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H+2Na"	46.985712
"1435217"	311.123746	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H+HCOOH"	47.012746
"228191"	292.13324	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+3H2O+2H"	56.04448
"1511878"	325.17579	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+IsoProp+H"	61.06479
"412666"	295.087188	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+Na+K"	61.952376
"770502"	427.142688	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+Na+K"	61.952376
"1673270"	163.031688	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Na+K"	61.952376
"254327"	592.237768	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+ACN+Na"	64.015768
"1226669"	328.126768	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+ACN+Na"	64.015768
"1714098"	328.150293	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+NH4+HCOOH"	64.039293
"1182736"	111.026218	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+3Na"	68.967654
"1657736"	333.105688	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Na+HCOOH"	68.994688
"168977"	605.14104	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+2K-H"	76.91904
"607442"	869.25204	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+2K-H"	76.91904
"1098518"	341.03004	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2K-H"	76.91904
"155334"	303.074158	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"2M+2K"	77.926316
"595989"	435.129658	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"3M+2K"	77.926316
"1082687"	171.018658	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2K"	77.926316
"1110434"	343.044592	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2K+H"	78.933592
"1349369"	343.132207	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+DMSO+H"	79.021207
"1019359"	347.171376	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2ACN+H"	83.060376
"1531285"	348.165008	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+IsoProp+Na+H"	84.054008
"995546"	174.089326	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+2ACN+2H"	84.067652
"1598799"	349.079628	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+K+HCOOH"	84.968628
"1416805"	379.111138	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+H+CF3COOH"	115.000138
"1152560"	194.602601	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+3ACN+2H"	125.094202
"1709766"	396.137685	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+NH4+CF3COOH"	132.026685
"1646508"	401.09308	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+Na+CF3COOH"	136.98208
"1585440"	417.06702	"C05642"	"Formyl-N-acetyl-5-methoxykynurenamine"	"C13H16N2O4"	"264.111"	"M+K+CF3COOH"	152.95602
"805964"	248.1161	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M"	0
"980589"	229.09771	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-H2O-H"	-19.01839
"69924"	164.403457333333	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M-3H"	-3.021828
"505476"	247.108824	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M-3H"	-3.021828
"880315"	81.6980906666667	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-3H"	-3.021828
"2216"	247.108824	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M-2H"	-2.014552
"440803"	371.166874	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M-2H"	-2.014552
"818119"	123.050774	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-2H"	-2.014552
"81761"	495.224924	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M-H"	-1.007276
"521323"	743.341024	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M-H"	-1.007276
"904960"	247.108824	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-H"	-1.007276
"60309"	512.251471	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M-2H+NH4"	16.019271
"495616"	760.367571	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M-2H+NH4"	16.019271
"867946"	264.135371	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-2H+NH4"	16.019271
"33659"	517.206866	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M-2H+Na"	20.974666
"473583"	765.322966	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M-2H+Na"	20.974666
"860870"	269.090766	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-2H+Na"	20.974666
"1626028"	269.090766	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Na-2H"	20.974666
"104745"	265.097163	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M-H+Cl"	33.962126
"535923"	389.155213	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M-H+Cl"	33.962126
"932354"	141.039113	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-H+Cl"	33.962126
"274194"	531.201602	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+Cl"	34.969402
"665520"	779.317702	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+Cl"	34.969402
"1280110"	283.085502	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Cl"	34.969402
"17196"	533.180806	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M-2H+K"	36.948606
"459674"	781.296906	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M-2H+K"	36.948606
"836383"	285.064706	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-2H+K"	36.948606
"1555932"	285.064706	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+K-2H"	36.948606
"943744"	293.114294	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-H+HCOOH"	44.998194
"364511"	541.230401	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+HCOOH-H"	44.998201
"346202"	555.246051	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+Hac-H"	59.013851
"1493212"	307.129951	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Hac-H"	59.013851
"959171"	315.096251	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-H+NaCOOH"	66.980151
"110168"	283.085502	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+2Cl"	69.938804
"551779"	407.143552	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+2Cl"	69.938804
"1030425"	159.027452	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2Cl"	69.938804
"1244900"	327.034985	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Br"	78.918885
"1311724"	329.090972	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Cl+HCOOH"	80.974872
"1321929"	351.072929	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Cl+NaCOOH"	102.956829
"916999"	361.101686	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M-H+CF3COOH"	112.985586
"1289206"	397.078364	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Cl+CF3COOH"	148.962264
"1370778"	213.103424	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H-2H2O"	-35.012676
"1385722"	231.1134	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H-H2O"	-17.0027
"286137"	497.239476	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+H"	1.007276
"680023"	745.355576	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+H"	1.007276
"1353091"	249.123376	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H"	1.007276
"126582"	249.123376	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+2H"	2.014552
"568824"	373.181426	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+2H"	2.014552
"1037865"	125.065326	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2H"	2.014552
"205523"	166.418009333333	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+3H"	3.021828
"647275"	249.123376	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+3H"	3.021828
"1163574"	83.7126426666667	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+3H"	3.021828
"433051"	514.266023	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+NH4"	18.033823
"791859"	762.382123	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+NH4"	18.033823
"1688188"	266.149923	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+NH4"	18.033823
"335374"	257.6366495	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+H+NH4"	19.041099
"728890"	381.6946995	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+H+NH4"	19.041099
"1490366"	133.5785995	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H+NH4"	19.041099
"408159"	519.221418	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+Na"	22.989218
"769813"	767.337518	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+Na"	22.989218
"1617905"	271.105318	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Na"	22.989218
"329399"	260.114347	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+H+Na"	23.996494
"721457"	384.172397	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+H+Na"	23.996494
"1476246"	136.056297	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H+Na"	23.996494
"1066571"	91.0399566666667	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2H+Na"	25.00377
"1269341"	281.149586	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+CH3OH+H"	33.033486
"385728"	535.195358	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+K"	38.963158
"741633"	783.311458	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+K"	38.963158
"1541134"	287.079258	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+K"	38.963158
"305963"	268.101317	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+H+K"	39.970434
"700571"	392.159367	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+H+K"	39.970434
"1453298"	144.043267	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H+K"	39.970434
"239348"	538.266026	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+ACN+H"	42.033826
"1223356"	290.149926	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+ACN+H"	42.033826
"1206874"	145.578601	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+ACN+2H"	43.041102
"200108"	541.20336	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+2Na-H"	44.97116
"639666"	789.31946	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+2Na-H"	44.97116
"1143173"	293.08726	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2Na-H"	44.97116
"184276"	271.105318	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+2Na"	45.978436
"622740"	395.163368	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+2Na"	45.978436
"1119684"	147.047268	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2Na"	45.978436
"1401019"	98.3672706666667	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H+2Na"	46.985712
"1436420"	295.128846	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H+HCOOH"	47.012746
"228301"	276.13834	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+3H2O+2H"	56.04448
"1513082"	309.18089	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+IsoProp+H"	61.06479
"410344"	279.092288	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+Na+K"	61.952376
"771704"	403.150338	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+Na+K"	61.952376
"1672287"	155.034238	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Na+K"	61.952376
"253827"	560.247968	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+ACN+Na"	64.015768
"1227265"	312.131868	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+ACN+Na"	64.015768
"1717487"	312.155393	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+NH4+HCOOH"	64.039293
"1182846"	105.694584666667	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+3Na"	68.967654
"1657846"	317.110788	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Na+HCOOH"	68.994688
"171274"	573.15124	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+2K-H"	76.91904
"607552"	821.26734	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+2K-H"	76.91904
"1098628"	325.03514	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2K-H"	76.91904
"156419"	287.079258	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"2M+2K"	77.926316
"595006"	411.137308	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"3M+2K"	77.926316
"1083168"	163.021208	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2K"	77.926316
"1110543"	327.049692	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2K+H"	78.933592
"1349966"	327.137307	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+DMSO+H"	79.021207
"1018012"	331.176476	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2ACN+H"	83.060376
"1536862"	332.170108	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+IsoProp+Na+H"	84.054008
"1000030"	166.091876	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+2ACN+2H"	84.067652
"1600002"	333.084728	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+K+HCOOH"	84.968628
"1416915"	363.116238	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+H+CF3COOH"	115.000138
"1155951"	186.605151	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+3ACN+2H"	125.094202
"1709513"	380.142785	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+NH4+CF3COOH"	132.026685
"1646618"	385.09818	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+Na+CF3COOH"	136.98208
"1585550"	401.07212	"C05643"	"6-Hydroxymelatonin"	"C13H16N2O3"	"248.1161"	"M+K+CF3COOH"	152.95602
"806074"	217.0739	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M"	0
"980699"	198.05551	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H2O-H"	-19.01839
"70034"	143.708657333333	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-3H"	-3.021828
"504129"	216.066624	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-3H"	-3.021828
"881321"	71.3506906666667	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-3H"	-3.021828
"40"	216.066624	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H"	-2.014552
"440012"	324.603574	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H"	-2.014552
"817863"	107.529674	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H"	-2.014552
"79684"	433.140524	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-H"	-1.007276
"520705"	650.214424	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-H"	-1.007276
"906163"	216.066624	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H"	-1.007276
"59446"	450.167071	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H+NH4"	16.019271
"491716"	667.240971	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H+NH4"	16.019271
"865142"	233.093171	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H+NH4"	16.019271
"33041"	455.122466	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H+Na"	20.974666
"473697"	672.196366	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H+Na"	20.974666
"860980"	238.048566	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H+Na"	20.974666
"1625045"	238.048566	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na-2H"	20.974666
"104855"	234.054963	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-H+Cl"	33.962126
"536033"	342.591913	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-H+Cl"	33.962126
"932464"	125.518013	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+Cl"	33.962126
"274304"	469.117202	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Cl"	34.969402
"664536"	686.191102	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+Cl"	34.969402
"1282407"	252.043302	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl"	34.969402
"20588"	471.096406	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M-2H+K"	36.948606
"459056"	688.170306	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M-2H+K"	36.948606
"836493"	254.022506	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-2H+K"	36.948606
"1557063"	254.022506	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K-2H"	36.948606
"943125"	262.072094	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+HCOOH"	44.998194
"362434"	479.146001	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+HCOOH-H"	44.998201
"345775"	493.161651	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Hac-H"	59.013851
"1493325"	276.087751	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Hac-H"	59.013851
"958679"	284.054051	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+NaCOOH"	66.980151
"110377"	252.043302	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2Cl"	69.938804
"550544"	360.580252	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2Cl"	69.938804
"1030535"	143.506352	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2Cl"	69.938804
"1246833"	295.992785	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Br"	78.918885
"1314750"	298.048772	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl+HCOOH"	80.974872
"1324955"	320.030729	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl+NaCOOH"	102.956829
"917109"	330.059486	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M-H+CF3COOH"	112.985586
"1288586"	366.036164	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Cl+CF3COOH"	148.962264
"1370524"	182.061224	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H-2H2O"	-35.012676
"1385468"	200.0712	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H-H2O"	-17.0027
"285519"	435.155076	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H"	1.007276
"680134"	652.228976	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H"	1.007276
"1354660"	218.081176	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H"	1.007276
"127182"	218.081176	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2H"	2.014552
"567963"	326.618126	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2H"	2.014552
"1039190"	109.544226	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2H"	2.014552
"205390"	145.723209333333	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+3H"	3.021828
"650666"	218.081176	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+3H"	3.021828
"1167694"	73.3652426666667	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+3H"	3.021828
"433162"	452.181623	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+NH4"	18.033823
"795249"	669.255523	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+NH4"	18.033823
"1688298"	235.107723	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+NH4"	18.033823
"336577"	226.5944495	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H+NH4"	19.041099
"729000"	335.1313995	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H+NH4"	19.041099
"1487194"	118.0574995	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+NH4"	19.041099
"408062"	457.137018	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Na"	22.989218
"769303"	674.210918	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+Na"	22.989218
"1618223"	240.063118	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na"	22.989218
"329882"	229.072147	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H+Na"	23.996494
"722461"	337.609097	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H+Na"	23.996494
"1476847"	120.535197	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+Na"	23.996494
"1065588"	80.6925566666667	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2H+Na"	25.00377
"1268358"	250.107386	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+CH3OH+H"	33.033486
"385838"	473.110958	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+K"	38.963158
"743567"	690.184858	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+K"	38.963158
"1546712"	256.037058	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K"	38.963158
"307169"	237.059117	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+H+K"	39.970434
"705057"	345.596067	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+H+K"	39.970434
"1457783"	128.522167	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+K"	39.970434
"246385"	476.181626	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+ACN+H"	42.033826
"1222739"	259.107726	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+ACN+H"	42.033826
"1208440"	130.057501	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+ACN+2H"	43.041102
"202403"	479.11896	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2Na-H"	44.97116
"636496"	696.19286	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2Na-H"	44.97116
"1143283"	262.04506	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2Na-H"	44.97116
"185115"	240.063118	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2Na"	45.978436
"620663"	348.600068	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2Na"	45.978436
"1119794"	131.526168	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2Na"	45.978436
"1400400"	88.0198706666667	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+2Na"	46.985712
"1438353"	264.086646	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+HCOOH"	47.012746
"227317"	245.09614	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+3H2O+2H"	56.04448
"1513192"	278.13869	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+IsoProp+H"	61.06479
"410700"	248.050088	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+Na+K"	61.952376
"770357"	356.587038	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+Na+K"	61.952376
"1669482"	139.513138	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na+K"	61.952376
"254181"	498.163568	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+ACN+Na"	64.015768
"1227254"	281.089668	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+ACN+Na"	64.015768
"1715044"	281.113193	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+NH4+HCOOH"	64.039293
"1183320"	95.3471846666667	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+3Na"	68.967654
"1660142"	286.068588	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na+HCOOH"	68.994688
"172437"	511.06684	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2K-H"	76.91904
"608755"	728.14074	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2K-H"	76.91904
"1098740"	293.99294	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2K-H"	76.91904
"156285"	256.037058	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"2M+2K"	77.926316
"596697"	364.574008	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"3M+2K"	77.926316
"1079626"	147.500108	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2K"	77.926316
"1110653"	296.007492	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2K+H"	78.933592
"1349832"	296.095107	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+DMSO+H"	79.021207
"1019821"	300.134276	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2ACN+H"	83.060376
"1534786"	301.127908	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+IsoProp+Na+H"	84.054008
"1000141"	150.570776	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+2ACN+2H"	84.067652
"1601204"	302.042528	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K+HCOOH"	84.968628
"1420305"	332.074038	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+H+CF3COOH"	115.000138
"1156061"	171.084051	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+3ACN+2H"	125.094202
"1710352"	349.100585	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+NH4+CF3COOH"	132.026685
"1647821"	354.05598	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+Na+CF3COOH"	136.98208
"1585660"	370.02992	"C05644"	"3-Methylindolepyruvate"	"C12H11NO3"	"217.0739"	"M+K+CF3COOH"	152.95602
"806184"	223.0481	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M"	0
"979716"	204.02971	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H2O-H"	-19.01839
"66864"	147.691457333333	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-3H"	-3.021828
"505332"	222.040824	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-3H"	-3.021828
"880077"	73.3420906666667	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-3H"	-3.021828
"491"	222.040824	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H"	-2.014552
"440055"	333.564874	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H"	-2.014552
"817244"	110.516774	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H"	-2.014552
"80523"	445.088924	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-H"	-1.007276
"520815"	668.137024	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-H"	-1.007276
"906273"	222.040824	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H"	-1.007276
"56276"	462.115471	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H+NH4"	16.019271
"490368"	685.163571	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H+NH4"	16.019271
"865253"	239.067371	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H+NH4"	16.019271
"33515"	467.070866	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H+Na"	20.974666
"473076"	690.118966	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H+Na"	20.974666
"857810"	244.022766	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H+Na"	20.974666
"1625155"	244.022766	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na-2H"	20.974666
"108245"	240.029163	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-H+Cl"	33.962126
"535413"	351.553213	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-H+Cl"	33.962126
"929292"	128.505113	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+Cl"	33.962126
"274414"	481.065602	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Cl"	34.969402
"661241"	704.113702	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+Cl"	34.969402
"1277050"	258.017502	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl"	34.969402
"18510"	483.044806	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H+K"	36.948606
"455681"	706.092906	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H+K"	36.948606
"832794"	259.996706	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H+K"	36.948606
"1555631"	259.996706	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K-2H"	36.948606
"942791"	268.046294	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+HCOOH"	44.998194
"362544"	491.094401	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+HCOOH-H"	44.998201
"346100"	505.110051	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Hac-H"	59.013851
"1492864"	282.061951	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Hac-H"	59.013851
"958568"	290.028251	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+NaCOOH"	66.980151
"110074"	258.017502	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2Cl"	69.938804
"549975"	369.541552	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2Cl"	69.938804
"1027364"	146.493452	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2Cl"	69.938804
"1242567"	301.966985	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Br"	78.918885
"1306112"	304.022972	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl+HCOOH"	80.974872
"1325065"	326.004929	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl+NaCOOH"	102.956829
"911744"	336.033686	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+CF3COOH"	112.985586
"1288687"	372.010364	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl+CF3COOH"	148.962264
"1377196"	188.035424	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H-2H2O"	-35.012676
"1385578"	206.0454	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H-H2O"	-17.0027
"285628"	447.103476	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H"	1.007276
"678055"	670.151576	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H"	1.007276
"1351607"	224.055376	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H"	1.007276
"125744"	224.055376	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2H"	2.014552
"565767"	335.579426	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2H"	2.014552
"1038570"	112.531326	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2H"	2.014552
"207201"	149.706009333333	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+3H"	3.021828
"645666"	224.055376	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+3H"	3.021828
"1168897"	75.3566426666667	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+3H"	3.021828
"434365"	464.130023	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+NH4"	18.033823
"796452"	687.178123	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+NH4"	18.033823
"1686221"	241.081923	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+NH4"	18.033823
"337775"	232.5686495	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H+NH4"	19.041099
"729102"	344.0926995	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H+NH4"	19.041099
"1482922"	121.0445995	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+NH4"	19.041099
"404888"	469.085418	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Na"	22.989218
"761506"	692.133518	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+Na"	22.989218
"1618389"	246.037318	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na"	22.989218
"329965"	235.046347	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H+Na"	23.996494
"721671"	346.570397	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H+Na"	23.996494
"1475371"	123.522297	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+Na"	23.996494
"1065698"	82.6839566666667	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2H+Na"	25.00377
"1269561"	256.081586	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+CH3OH+H"	33.033486
"385948"	485.059358	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+K"	38.963158
"746958"	708.107458	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+K"	38.963158
"1551197"	262.011258	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K"	38.963158
"306184"	243.033317	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H+K"	39.970434
"701884"	354.557367	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H+K"	39.970434
"1459712"	131.509267	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+K"	39.970434
"248677"	488.130026	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+ACN+H"	42.033826
"1221390"	265.081926	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+ACN+H"	42.033826
"1207456"	133.044601	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+ACN+2H"	43.041102
"202513"	491.06736	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2Na-H"	44.97116
"633326"	714.11546	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2Na-H"	44.97116
"1143393"	268.01926	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2Na-H"	44.97116
"182309"	246.037318	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2Na"	45.978436
"622232"	357.561368	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2Na"	45.978436
"1119904"	134.513268	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2Na"	45.978436
"1400873"	90.0112706666667	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+2Na"	46.985712
"1435545"	270.060846	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+HCOOH"	47.012746
"226334"	251.07034	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+3H2O+2H"	56.04448
"1513302"	284.11289	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+IsoProp+H"	61.06479
"408620"	254.024288	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Na+K"	61.952376
"770466"	365.548338	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+Na+K"	61.952376
"1668499"	142.500238	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na+K"	61.952376
"252832"	510.111968	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+ACN+Na"	64.015768
"1229550"	287.063868	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+ACN+Na"	64.015768
"1713692"	287.087393	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+NH4+HCOOH"	64.039293
"1183430"	97.3385846666667	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+3Na"	68.967654
"1660252"	292.042788	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na+HCOOH"	68.994688
"170400"	523.01524	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2K-H"	76.91904
"611782"	746.06334	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2K-H"	76.91904
"1098485"	299.96714	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2K-H"	76.91904
"156395"	262.011258	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2K"	77.926316
"596995"	373.535308	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2K"	77.926316
"1079736"	150.487208	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2K"	77.926316
"1114528"	301.981692	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2K+H"	78.933592
"1349942"	302.069307	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+DMSO+H"	79.021207
"1020539"	306.108476	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2ACN+H"	83.060376
"1532709"	307.102108	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+IsoProp+Na+H"	84.054008
"998063"	153.557876	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2ACN+2H"	84.067652
"1601314"	308.016728	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K+HCOOH"	84.968628
"1420415"	338.048238	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+CF3COOH"	115.000138
"1157264"	174.071151	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+3ACN+2H"	125.094202
"1710462"	355.074785	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+NH4+CF3COOH"	132.026685
"1647931"	360.03018	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na+CF3COOH"	136.98208
"1585770"	376.00412	"C05645"	"4-(2-Amino-3-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K+CF3COOH"	152.95602
"806294"	219.0532	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M"	0
"979826"	200.03481	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-H2O-H"	-19.01839
"66974"	145.028190666667	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M-3H"	-3.021828
"505442"	218.045924	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M-3H"	-3.021828
"881055"	72.0104573333333	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-3H"	-3.021828
"963"	218.045924	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M-2H"	-2.014552
"440647"	327.572524	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M-2H"	-2.014552
"818447"	108.519324	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-2H"	-2.014552
"79898"	437.099124	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M-H"	-1.007276
"524205"	656.152324	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M-H"	-1.007276
"907476"	218.045924	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-H"	-1.007276
"56385"	454.125671	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M-2H+NH4"	16.019271
"490478"	673.178871	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M-2H+NH4"	16.019271
"866092"	235.072471	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-2H+NH4"	16.019271
"34352"	459.081066	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M-2H+Na"	20.974666
"473549"	678.134266	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M-2H+Na"	20.974666
"857920"	240.027866	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-2H+Na"	20.974666
"1625265"	240.027866	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Na-2H"	20.974666
"106169"	236.034263	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M-H+Cl"	33.962126
"536252"	345.560863	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M-H+Cl"	33.962126
"927251"	126.507663	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-H+Cl"	33.962126
"269056"	473.075802	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+Cl"	34.969402
"661475"	692.129002	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+Cl"	34.969402
"1277160"	254.022602	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Cl"	34.969402
"17527"	475.055006	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M-2H+K"	36.948606
"455920"	694.108206	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M-2H+K"	36.948606
"833060"	256.001806	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-2H+K"	36.948606
"1555722"	256.001806	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+K-2H"	36.948606
"943708"	264.051394	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-H+HCOOH"	44.998194
"364477"	483.104601	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+HCOOH-H"	44.998201
"348362"	497.120251	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+Hac-H"	59.013851
"1495373"	278.067051	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Hac-H"	59.013851
"959626"	286.033351	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-H+NaCOOH"	66.980151
"111819"	254.022602	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+2Cl"	69.938804
"551252"	363.549202	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+2Cl"	69.938804
"1022367"	144.496002	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2Cl"	69.938804
"1242677"	297.972085	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Br"	78.918885
"1309869"	300.028072	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Cl+HCOOH"	80.974872
"1328093"	322.010029	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Cl+NaCOOH"	102.956829
"912103"	332.038786	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M-H+CF3COOH"	112.985586
"1289171"	368.015464	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Cl+CF3COOH"	148.962264
"1375487"	184.040524	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H-2H2O"	-35.012676
"1390429"	202.0505	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H-H2O"	-17.0027
"291209"	439.113676	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+H"	1.007276
"677067"	658.166876	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+H"	1.007276
"1352202"	220.060476	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H"	1.007276
"129591"	220.060476	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+2H"	2.014552
"566391"	329.587076	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+2H"	2.014552
"1042328"	110.533876	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2H"	2.014552
"214605"	147.042742666667	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+3H"	3.021828
"649788"	220.060476	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+3H"	3.021828
"1171196"	74.0250093333333	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+3H"	3.021828
"435568"	456.140223	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+NH4"	18.033823
"799480"	675.193423	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+NH4"	18.033823
"1690707"	237.087023	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+NH4"	18.033823
"337888"	228.5737495	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+H+NH4"	19.041099
"732494"	338.1003495	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+H+NH4"	19.041099
"1483032"	119.0471495	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H+NH4"	19.041099
"402810"	461.095618	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+Na"	22.989218
"764899"	680.148818	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+Na"	22.989218
"1616780"	242.042418	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Na"	22.989218
"329123"	231.051447	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+H+Na"	23.996494
"722390"	340.578047	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+H+Na"	23.996494
"1475118"	121.524847	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H+Na"	23.996494
"1067631"	81.3523233333333	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2H+Na"	25.00377
"1269673"	252.086686	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+CH3OH+H"	33.033486
"388246"	477.069558	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+K"	38.963158
"747068"	696.122758	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+K"	38.963158
"1550213"	258.016358	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+K"	38.963158
"308481"	239.038417	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+H+K"	39.970434
"701994"	348.565017	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+H+K"	39.970434
"1458002"	129.511817	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H+K"	39.970434
"247696"	480.140226	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+ACN+H"	42.033826
"1222590"	261.087026	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+ACN+H"	42.033826
"1205019"	131.047151	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+ACN+2H"	43.041102
"201169"	483.07756	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+2Na-H"	44.97116
"640001"	702.13076	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+2Na-H"	44.97116
"1143503"	264.02436	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2Na-H"	44.97116
"185702"	242.042418	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+2Na"	45.978436
"625624"	351.569018	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+2Na"	45.978436
"1120015"	132.515818	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2Na"	45.978436
"1400980"	88.6796373333333	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H+2Na"	46.985712
"1436387"	266.065946	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H+HCOOH"	47.012746
"224258"	247.07544	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+3H2O+2H"	56.04448
"1513414"	280.11799	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+IsoProp+H"	61.06479
"410919"	250.029388	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+Na+K"	61.952376
"771060"	359.555988	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+Na+K"	61.952376
"1666906"	140.502788	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Na+K"	61.952376
"252454"	502.122168	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+ACN+Na"	64.015768
"1227474"	283.068968	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+ACN+Na"	64.015768
"1714173"	283.092493	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+NH4+HCOOH"	64.039293
"1180989"	96.0069513333333	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+3Na"	68.967654
"1659269"	288.047888	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Na+HCOOH"	68.994688
"169416"	515.02544	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+2K-H"	76.91904
"610799"	734.07864	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+2K-H"	76.91904
"1098837"	295.97224	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2K-H"	76.91904
"155290"	258.016358	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"2M+2K"	77.926316
"596186"	367.542958	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"3M+2K"	77.926316
"1083492"	148.489758	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2K"	77.926316
"1114639"	297.986792	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2K+H"	78.933592
"1349809"	298.074407	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+DMSO+H"	79.021207
"1016885"	302.113576	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2ACN+H"	83.060376
"1537192"	303.107208	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+IsoProp+Na+H"	84.054008
"999266"	151.560426	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+2ACN+2H"	84.067652
"1598141"	304.021828	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+K+HCOOH"	84.968628
"1422710"	334.053338	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+H+CF3COOH"	115.000138
"1158468"	172.073701	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+3ACN+2H"	125.094202
"1711666"	351.079885	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+NH4+CF3COOH"	132.026685
"1648041"	356.03528	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+Na+CF3COOH"	136.98208
"1585880"	372.00922	"C05646"	"5-Hydroxyindolepyruvate"	"C11H9NO4"	"219.0532"	"M+K+CF3COOH"	152.95602
"812965"	208.0848	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M"	0
"984311"	189.06641	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-H2O-H"	-19.01839
"72554"	137.715924	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M-3H"	-3.021828
"507739"	207.077524	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M-3H"	-3.021828
"889916"	68.354324	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-3H"	-3.021828
"1199"	207.077524	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M-2H"	-2.014552
"441120"	311.119924	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M-2H"	-2.014552
"822572"	103.035124	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-2H"	-2.014552
"81472"	415.162324	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M-H"	-1.007276
"527596"	623.247124	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M-H"	-1.007276
"907587"	207.077524	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-H"	-1.007276
"59776"	432.188871	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M-2H+NH4"	16.019271
"497150"	640.273671	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M-2H+NH4"	16.019271
"874950"	224.104071	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-2H+NH4"	16.019271
"45772"	437.144266	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M-2H+Na"	20.974666
"482412"	645.229066	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M-2H+Na"	20.974666
"858030"	229.059466	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-2H+Na"	20.974666
"1628655"	229.059466	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Na-2H"	20.974666
"107376"	225.065863	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M-H+Cl"	33.962126
"536001"	329.108263	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M-H+Cl"	33.962126
"932795"	121.023463	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-H+Cl"	33.962126
"274634"	451.139002	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+Cl"	34.969402
"665961"	659.223802	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+Cl"	34.969402
"1280551"	243.054202	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Cl"	34.969402
"19826"	453.118206	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M-2H+K"	36.948606
"459385"	661.203006	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M-2H+K"	36.948606
"834999"	245.033406	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-2H+K"	36.948606
"1556418"	245.033406	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+K-2H"	36.948606
"945277"	253.082994	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-H+HCOOH"	44.998194
"366775"	461.167801	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+HCOOH-H"	44.998201
"353941"	475.183451	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+Hac-H"	59.013851
"1496576"	267.098651	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Hac-H"	59.013851
"959737"	275.064951	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-H+NaCOOH"	66.980151
"111200"	243.054202	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+2Cl"	69.938804
"551241"	347.096602	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+2Cl"	69.938804
"1021621"	139.011802	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2Cl"	69.938804
"1241689"	287.003685	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Br"	78.918885
"1309248"	289.059672	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Cl+HCOOH"	80.974872
"1322370"	311.041629	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Cl+NaCOOH"	102.956829
"915252"	321.070386	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M-H+CF3COOH"	112.985586
"1288877"	357.047064	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Cl+CF3COOH"	148.962264
"1377419"	173.072124	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H-2H2O"	-35.012676
"1388353"	191.0821	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H-H2O"	-17.0027
"291319"	417.176876	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+H"	1.007276
"677912"	625.261676	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+H"	1.007276
"1352680"	209.092076	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H"	1.007276
"130066"	209.092076	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+2H"	2.014552
"566342"	313.134476	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+2H"	2.014552
"1044624"	105.049676	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2H"	2.014552
"213622"	139.730476	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+3H"	3.021828
"650991"	209.092076	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+3H"	3.021828
"1170941"	70.368876	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+3H"	3.021828
"436771"	434.203423	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+NH4"	18.033823
"799953"	642.288223	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+NH4"	18.033823
"1694825"	226.118623	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+NH4"	18.033823
"341277"	217.6053495	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+H+NH4"	19.041099
"731510"	321.6477495	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+H+NH4"	19.041099
"1479862"	113.5629495	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H+NH4"	19.041099
"401827"	439.158818	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+Na"	22.989218
"762818"	647.243618	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+Na"	22.989218
"1617618"	231.074018	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Na"	22.989218
"329884"	220.083047	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+H+Na"	23.996494
"722100"	324.125447	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+H+Na"	23.996494
"1476932"	116.040647	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H+Na"	23.996494
"1068275"	77.69619	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2H+Na"	25.00377
"1271969"	241.118286	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+CH3OH+H"	33.033486
"390178"	455.132758	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+K"	38.963158
"744989"	663.217558	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+K"	38.963158
"1549229"	247.047958	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+K"	38.963158
"309684"	228.070017	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+H+K"	39.970434
"704290"	332.112417	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+H+K"	39.970434
"1460623"	124.027617	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H+K"	39.970434
"249264"	458.203426	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+ACN+H"	42.033826
"1222700"	250.118626	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+ACN+H"	42.033826
"1207680"	125.562951	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+ACN+2H"	43.041102
"201282"	461.14076	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+2Na-H"	44.97116
"642542"	669.22556	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+2Na-H"	44.97116
"1145436"	253.05596	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2Na-H"	44.97116
"186176"	231.074018	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+2Na"	45.978436
"625005"	335.116418	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+2Na"	45.978436
"1121218"	127.031618	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2Na"	45.978436
"1399877"	85.023504	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H+2Na"	46.985712
"1436861"	255.097546	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H+HCOOH"	47.012746
"225462"	236.10704	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+3H2O+2H"	56.04448
"1513525"	269.14959	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+IsoProp+H"	61.06479
"412122"	239.060988	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+Na+K"	61.952376
"771662"	343.103388	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+Na+K"	61.952376
"1667017"	135.018588	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Na+K"	61.952376
"253054"	480.185368	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+ACN+Na"	64.015768
"1226205"	272.100568	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+ACN+Na"	64.015768
"1713556"	272.124093	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+NH4+HCOOH"	64.039293
"1184018"	92.350818	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+3Na"	68.967654
"1659379"	277.079488	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Na+HCOOH"	68.994688
"172079"	493.08864	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+2K-H"	76.91904
"611883"	701.17344	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+2K-H"	76.91904
"1097615"	285.00384	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2K-H"	76.91904
"154794"	247.047958	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"2M+2K"	77.926316
"591808"	351.090358	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"3M+2K"	77.926316
"1080691"	143.005558	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2K"	77.926316
"1110257"	287.018392	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2K+H"	78.933592
"1347005"	287.106007	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+DMSO+H"	79.021207
"1015539"	291.145176	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2ACN+H"	83.060376
"1529648"	292.138808	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+IsoProp+Na+H"	84.054008
"996097"	146.076226	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+2ACN+2H"	84.067652
"1599347"	293.053428	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+K+HCOOH"	84.968628
"1428286"	323.084938	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+H+CF3COOH"	115.000138
"1153107"	166.589501	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+3ACN+2H"	125.094202
"1701565"	340.111485	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+NH4+CF3COOH"	132.026685
"1641590"	345.06688	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+Na+CF3COOH"	136.98208
"1585990"	361.04082	"C05647"	"Formyl-5-hydroxykynurenamine"	"C10H12N2O3"	"208.0848"	"M+K+CF3COOH"	152.95602
"813075"	252.0746	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M"	0
"983327"	233.05621	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-H2O-H"	-19.01839
"72663"	167.042457333333	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M-3H"	-3.021828
"506756"	251.067324	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M-3H"	-3.021828
"888933"	83.0175906666667	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-3H"	-3.021828
"45"	251.067324	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M-2H"	-2.014552
"440022"	377.104624	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M-2H"	-2.014552
"821589"	125.030024	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-2H"	-2.014552
"81946"	503.141924	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M-H"	-1.007276
"526613"	755.216524	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M-H"	-1.007276
"906604"	251.067324	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-H"	-1.007276
"58793"	520.168471	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M-2H+NH4"	16.019271
"497260"	772.243071	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M-2H+NH4"	16.019271
"871780"	268.093871	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-2H+NH4"	16.019271
"46125"	525.123866	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M-2H+Na"	20.974666
"482522"	777.198466	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M-2H+Na"	20.974666
"858140"	273.049266	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-2H+Na"	20.974666
"1628765"	273.049266	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Na-2H"	20.974666
"106391"	269.055663	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M-H+Cl"	33.962126
"534893"	395.092963	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M-H+Cl"	33.962126
"929624"	143.018363	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-H+Cl"	33.962126
"274744"	539.118602	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+Cl"	34.969402
"664248"	791.193202	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+Cl"	34.969402
"1277381"	287.044002	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Cl"	34.969402
"19936"	541.097806	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M-2H+K"	36.948606
"459495"	793.172406	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M-2H+K"	36.948606
"835109"	289.023206	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-2H+K"	36.948606
"1556406"	289.023206	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+K-2H"	36.948606
"945387"	297.072794	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-H+HCOOH"	44.998194
"366885"	549.147401	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+HCOOH-H"	44.998201
"355144"	563.163051	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+Hac-H"	59.013851
"1497415"	311.088451	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Hac-H"	59.013851
"959604"	319.054751	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-H+NaCOOH"	66.980151
"111675"	287.044002	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+2Cl"	69.938804
"550380"	413.081302	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+2Cl"	69.938804
"1021610"	161.006702	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2Cl"	69.938804
"1242285"	330.993485	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Br"	78.918885
"1307170"	333.049472	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Cl+HCOOH"	80.974872
"1323209"	355.031429	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Cl+NaCOOH"	102.956829
"915362"	365.060186	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M-H+CF3COOH"	112.985586
"1288786"	401.036864	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Cl+CF3COOH"	148.962264
"1377528"	217.061924	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H-2H2O"	-35.012676
"1390649"	235.0719	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H-H2O"	-17.0027
"288149"	505.156476	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+H"	1.007276
"675872"	757.231076	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+H"	1.007276
"1351816"	253.081876	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H"	1.007276
"128719"	253.081876	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+2H"	2.014552
"566208"	379.119176	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+2H"	2.014552
"1043641"	127.044576	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2H"	2.014552
"215552"	169.057009333333	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+3H"	3.021828
"650008"	253.081876	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+3H"	3.021828
"1170322"	85.0321426666667	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+3H"	3.021828
"438339"	522.183023	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+NH4"	18.033823
"798968"	774.257623	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+NH4"	18.033823
"1694935"	270.108423	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+NH4"	18.033823
"341387"	261.5951495	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+H+NH4"	19.041099
"731620"	387.6324495	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+H+NH4"	19.041099
"1481065"	135.5578495	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H+NH4"	19.041099
"394277"	527.138418	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+Na"	22.989218
"762928"	779.213018	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+Na"	22.989218
"1618134"	275.063818	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Na"	22.989218
"329349"	264.072847	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+H+Na"	23.996494
"722501"	390.110147	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+H+Na"	23.996494
"1476637"	138.035547	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H+Na"	23.996494
"1067491"	92.3594566666667	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2H+Na"	25.00377
"1269893"	285.108086	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+CH3OH+H"	33.033486
"392475"	543.112358	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+K"	38.963158
"751654"	795.186958	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+K"	38.963158
"1549339"	291.037758	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+K"	38.963158
"308701"	272.059817	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+H+K"	39.970434
"704400"	398.097117	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+H+K"	39.970434
"1459315"	146.022517	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H+K"	39.970434
"247915"	546.183026	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+ACN+H"	42.033826
"1223178"	294.108426	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+ACN+H"	42.033826
"1206697"	147.557851	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+ACN+2H"	43.041102
"200298"	549.12036	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+2Na-H"	44.97116
"642409"	801.19496	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+2Na-H"	44.97116
"1144816"	297.04576	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2Na-H"	44.97116
"185922"	275.063818	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+2Na"	45.978436
"623658"	401.101118	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+2Na"	45.978436
"1119142"	149.026518	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2Na"	45.978436
"1399379"	99.6867706666667	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H+2Na"	46.985712
"1436971"	299.087346	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H+HCOOH"	47.012746
"221561"	280.09684	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+3H2O+2H"	56.04448
"1512539"	313.13939	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+IsoProp+H"	61.06479
"410409"	283.050788	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+Na+K"	61.952376
"770433"	409.088088	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+Na+K"	61.952376
"1666397"	157.013488	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Na+K"	61.952376
"251578"	568.164968	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+ACN+Na"	64.015768
"1226355"	316.090368	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+ACN+Na"	64.015768
"1713666"	316.113893	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+NH4+HCOOH"	64.039293
"1185221"	107.014084666667	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+3Na"	68.967654
"1659489"	321.069288	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Na+HCOOH"	68.994688
"171701"	581.06824	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+2K-H"	76.91904
"611870"	833.14284	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+2K-H"	76.91904
"1097725"	328.99364	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2K-H"	76.91904
"156241"	291.037758	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"2M+2K"	77.926316
"595319"	417.075058	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"3M+2K"	77.926316
"1082985"	165.000458	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2K"	77.926316
"1114496"	331.008192	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2K+H"	78.933592
"1349300"	331.095807	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+DMSO+H"	79.021207
"1017832"	335.134976	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2ACN+H"	83.060376
"1531945"	336.128608	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+IsoProp+Na+H"	84.054008
"996207"	168.071126	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+2ACN+2H"	84.067652
"1598364"	337.043228	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+K+HCOOH"	84.968628
"1426209"	367.074738	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+H+CF3COOH"	115.000138
"1153217"	188.584401	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+3ACN+2H"	125.094202
"1701675"	384.101285	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+NH4+CF3COOH"	132.026685
"1641700"	389.05668	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+Na+CF3COOH"	136.98208
"1586100"	405.03062	"C05648"	"5-Hydroxy-N-formylkynurenine;5-Hydroxy-N-formyl-L-kynurenine"	"C11H12N2O5"	"252.0746"	"M+K+CF3COOH"	152.95602
"813185"	134.0592	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M"	0
"980157"	115.04081	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-H2O-H"	-19.01839
"72773"	88.365524	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M-3H"	-3.021828
"506866"	133.051924	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M-3H"	-3.021828
"884669"	43.679124	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-3H"	-3.021828
"2149"	133.051924	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M-2H"	-2.014552
"440615"	200.081524	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M-2H"	-2.014552
"817355"	66.022324	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-2H"	-2.014552
"80963"	267.111124	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M-H"	-1.007276
"526723"	401.170324	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M-H"	-1.007276
"904528"	133.051924	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-H"	-1.007276
"55623"	284.137671	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M-2H+NH4"	16.019271
"490809"	418.196871	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M-2H+NH4"	16.019271
"871890"	150.078471	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-2H+NH4"	16.019271
"44167"	289.093066	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M-2H+Na"	20.974666
"480445"	423.152266	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M-2H+Na"	20.974666
"858250"	155.033866	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-2H+Na"	20.974666
"1628875"	155.033866	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Na-2H"	20.974666
"107230"	151.040263	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M-H+Cl"	33.962126
"534313"	218.069863	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M-H+Cl"	33.962126
"928762"	84.010663	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-H+Cl"	33.962126
"274854"	303.087802	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+Cl"	34.969402
"664358"	437.147002	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+Cl"	34.969402
"1276398"	169.028602	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Cl"	34.969402
"18953"	305.067006	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M-2H+K"	36.948606
"458511"	439.126206	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M-2H+K"	36.948606
"836312"	171.007806	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-2H+K"	36.948606
"1557612"	171.007806	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+K-2H"	36.948606
"944403"	179.057394	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-H+HCOOH"	44.998194
"366995"	313.116601	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+HCOOH-H"	44.998201
"355254"	327.132251	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+Hac-H"	59.013851
"1496796"	193.073051	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Hac-H"	59.013851
"960321"	201.039351	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-H+NaCOOH"	66.980151
"112878"	169.028602	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+2Cl"	69.938804
"550289"	236.058202	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+2Cl"	69.938804
"1021517"	101.999002	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2Cl"	69.938804
"1242031"	212.978085	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Br"	78.918885
"1307644"	215.034072	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Cl+HCOOH"	80.974872
"1323319"	237.016029	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Cl+NaCOOH"	102.956829
"915472"	247.044786	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M-H+CF3COOH"	112.985586
"1289989"	283.021464	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Cl+CF3COOH"	148.962264
"1377638"	99.046524	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H-2H2O"	-35.012676
"1387479"	117.0565	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H-H2O"	-17.0027
"288259"	269.125676	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+H"	1.007276
"677039"	403.184876	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+H"	1.007276
"1351434"	135.066476	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H"	1.007276
"126155"	135.066476	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+2H"	2.014552
"565954"	202.096076	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+2H"	2.014552
"1042658"	68.036876	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2H"	2.014552
"205453"	90.380076	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+3H"	3.021828
"645135"	135.066476	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+3H"	3.021828
"1171525"	45.693676	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+3H"	3.021828
"433705"	286.152223	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+NH4"	18.033823
"795798"	420.211423	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+NH4"	18.033823
"1693589"	152.093023	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+NH4"	18.033823
"342590"	143.5797495	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+H+NH4"	19.041099
"731730"	210.6093495	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+H+NH4"	19.041099
"1480082"	76.5501495	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H+NH4"	19.041099
"394387"	291.107618	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+Na"	22.989218
"759758"	425.166818	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+Na"	22.989218
"1617958"	157.048418	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Na"	22.989218
"329967"	146.057447	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+H+Na"	23.996494
"722741"	213.087047	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+H+Na"	23.996494
"1476828"	79.027847	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H+Na"	23.996494
"1068289"	53.02099	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2H+Na"	25.00377
"1270003"	167.092686	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+CH3OH+H"	33.033486
"390398"	307.081558	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+K"	38.963158
"751764"	441.140758	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+K"	38.963158
"1548355"	173.022358	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+K"	38.963158
"307718"	154.044417	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+H+K"	39.970434
"702325"	221.074017	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+H+K"	39.970434
"1456145"	87.014817	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H+K"	39.970434
"246932"	310.152226	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+ACN+H"	42.033826
"1224014"	176.093026	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+ACN+H"	42.033826
"1205714"	88.550151	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+ACN+2H"	43.041102
"200408"	313.08956	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+2Na-H"	44.97116
"642154"	447.14876	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+2Na-H"	44.97116
"1144198"	179.03036	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2Na-H"	44.97116
"185306"	157.048418	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+2Na"	45.978436
"625590"	224.078018	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+2Na"	45.978436
"1120345"	90.018818	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2Na"	45.978436
"1400586"	60.348304	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H+2Na"	46.985712
"1438174"	181.071946	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H+HCOOH"	47.012746
"221307"	162.08144	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+3H2O+2H"	56.04448
"1513013"	195.12399	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+IsoProp+H"	61.06479
"409301"	165.035388	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+Na+K"	61.952376
"770219"	232.064988	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+Na+K"	61.952376
"1666753"	98.005788	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Na+K"	61.952376
"251563"	332.134168	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+ACN+Na"	64.015768
"1226344"	198.074968	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+ACN+Na"	64.015768
"1714502"	198.098493	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+NH4+HCOOH"	64.039293
"1185331"	67.675618	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+3Na"	68.967654
"1658505"	203.053888	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Na+HCOOH"	68.994688
"172503"	345.03744	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+2K-H"	76.91904
"612346"	479.09664	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+2K-H"	76.91904
"1097833"	210.97824	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2K-H"	76.91904
"156674"	173.022358	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"2M+2K"	77.926316
"594576"	240.051958	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"3M+2K"	77.926316
"1082002"	105.992758	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2K"	77.926316
"1115295"	212.992792	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2K+H"	78.933592
"1348318"	213.080407	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+DMSO+H"	79.021207
"1020007"	217.119576	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2ACN+H"	83.060376
"1530962"	218.113208	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+IsoProp+Na+H"	84.054008
"996317"	109.063426	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+2ACN+2H"	84.067652
"1598474"	219.027828	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+K+HCOOH"	84.968628
"1426319"	249.059338	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+H+CF3COOH"	115.000138
"1153327"	129.576701	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+3ACN+2H"	125.094202
"1701785"	266.085885	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+NH4+CF3COOH"	132.026685
"1641810"	271.04128	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+Na+CF3COOH"	136.98208
"1586210"	287.01522	"C05649"	"Dihydropteridine;67-Dihydropteridine"	"C6H6N4"	"134.0592"	"M+K+CF3COOH"	152.95602
"813295"	136.0749	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M"	0
"976987"	117.05651	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-H2O-H"	-19.01839
"75071"	89.709324	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M-3H"	-3.021828
"506977"	135.067624	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M-3H"	-3.021828
"885873"	44.351024	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-3H"	-3.021828
"1166"	135.067624	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M-2H"	-2.014552
"440357"	203.105074	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M-2H"	-2.014552
"818162"	67.030174	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-2H"	-2.014552
"80709"	271.142524	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M-H"	-1.007276
"526833"	407.217424	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M-H"	-1.007276
"903544"	135.067624	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-H"	-1.007276
"55733"	288.169071	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M-2H+NH4"	16.019271
"490918"	424.243971	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M-2H+NH4"	16.019271
"872000"	152.094171	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-2H+NH4"	16.019271
"39901"	293.124466	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M-2H+Na"	20.974666
"480555"	429.199366	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M-2H+Na"	20.974666
"858360"	157.049566	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-2H+Na"	20.974666
"1628985"	157.049566	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Na-2H"	20.974666
"105519"	153.055963	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M-H+Cl"	33.962126
"535359"	221.093413	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M-H+Cl"	33.962126
"929845"	85.018513	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-H+Cl"	33.962126
"273871"	307.119202	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+Cl"	34.969402
"664105"	443.194102	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+Cl"	34.969402
"1276508"	171.044302	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Cl"	34.969402
"20157"	309.098406	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M-2H+K"	36.948606
"458621"	445.173306	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M-2H+K"	36.948606
"837515"	173.023506	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-2H+K"	36.948606
"1555852"	173.023506	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+K-2H"	36.948606
"943297"	181.073094	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-H+HCOOH"	44.998194
"368198"	317.148001	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+HCOOH-H"	44.998201
"347704"	331.163651	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+Hac-H"	59.013851
"1494714"	195.088751	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Hac-H"	59.013851
"958975"	203.055051	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-H+NaCOOH"	66.980151
"113352"	171.044302	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+2Cl"	69.938804
"550723"	239.081752	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+2Cl"	69.938804
"1022439"	103.006852	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2Cl"	69.938804
"1241898"	214.993785	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Br"	78.918885
"1307026"	217.049772	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Cl+HCOOH"	80.974872
"1321241"	239.031729	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Cl+NaCOOH"	102.956829
"916675"	249.060486	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M-H+CF3COOH"	112.985586
"1288682"	285.037164	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Cl+CF3COOH"	148.962264
"1378841"	101.062224	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H-2H2O"	-35.012676
"1390869"	119.0722	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H-H2O"	-17.0027
"288369"	273.157076	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+H"	1.007276
"680795"	409.231976	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+H"	1.007276
"1351355"	137.082176	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H"	1.007276
"125897"	137.082176	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+2H"	2.014552
"566184"	205.119626	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+2H"	2.014552
"1037288"	69.044726	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2H"	2.014552
"204788"	91.723876	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+3H"	3.021828
"645124"	137.082176	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+3H"	3.021828
"1166166"	46.365576	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+3H"	3.021828
"433815"	290.183623	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+NH4"	18.033823
"792622"	426.258523	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+NH4"	18.033823
"1681943"	154.108723	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+NH4"	18.033823
"340513"	145.5954495	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+H+NH4"	19.041099
"729654"	213.6328995	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+H+NH4"	19.041099
"1479099"	77.5579995	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H+NH4"	19.041099
"396686"	295.139018	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+Na"	22.989218
"759868"	431.213918	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+Na"	22.989218
"1617826"	159.064118	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Na"	22.989218
"329847"	148.073147	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+H+Na"	23.996494
"722716"	216.110597	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+H+Na"	23.996494
"1476856"	80.035697	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H+Na"	23.996494
"1067224"	53.69289	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2H+Na"	25.00377
"1272306"	169.108386	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+CH3OH+H"	33.033486
"390147"	311.112958	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+K"	38.963158
"750781"	447.187858	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+K"	38.963158
"1549558"	175.038058	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+K"	38.963158
"310015"	156.060117	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+H+K"	39.970434
"702435"	224.097567	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+H+K"	39.970434
"1458443"	88.022667	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H+K"	39.970434
"249230"	314.183626	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+ACN+H"	42.033826
"1221209"	178.108726	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+ACN+H"	42.033826
"1203638"	89.558001	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+ACN+2H"	43.041102
"199789"	317.12096	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+2Na-H"	44.97116
"640807"	453.19586	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+2Na-H"	44.97116
"1142487"	181.04606	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2Na-H"	44.97116
"185050"	159.064118	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+2Na"	45.978436
"623512"	227.101568	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+2Na"	45.978436
"1123735"	91.026668	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2Na"	45.978436
"1400698"	61.020204	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H+2Na"	46.985712
"1437191"	183.087646	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H+HCOOH"	47.012746
"220808"	164.09714	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+3H2O+2H"	56.04448
"1511666"	197.13969	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+IsoProp+H"	61.06479
"409046"	167.051088	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+Na+K"	61.952376
"769985"	235.088538	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+Na+K"	61.952376
"1665629"	99.013638	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Na+K"	61.952376
"251416"	336.165568	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+ACN+Na"	64.015768
"1225965"	200.090668	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+ACN+Na"	64.015768
"1713275"	200.114193	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+NH4+HCOOH"	64.039293
"1182161"	68.347518	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+3Na"	68.967654
"1657522"	205.069588	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Na+HCOOH"	68.994688
"172039"	349.06884	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+2K-H"	76.91904
"611239"	485.14374	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+2K-H"	76.91904
"1096849"	212.99394	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2K-H"	76.91904
"156581"	175.038058	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"2M+2K"	77.926316
"595902"	243.075508	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"3M+2K"	77.926316
"1082960"	107.000608	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2K"	77.926316
"1114715"	215.008492	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2K+H"	78.933592
"1350129"	215.096107	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+DMSO+H"	79.021207
"1019873"	219.135276	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2ACN+H"	83.060376
"1533259"	220.128908	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+IsoProp+Na+H"	84.054008
"995333"	110.071276	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+2ACN+2H"	84.067652
"1602594"	221.043528	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+K+HCOOH"	84.968628
"1425336"	251.075038	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+H+CF3COOH"	115.000138
"1153437"	130.584551	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+3ACN+2H"	125.094202
"1701895"	268.101585	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+NH4+CF3COOH"	132.026685
"1641920"	273.05698	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+Na+CF3COOH"	136.98208
"1586320"	289.03092	"C05650"	"Tetrahydropteridine;5678-Tetrahydropteridine"	"C6H8N4"	"136.0749"	"M+K+CF3COOH"	152.95602
"813405"	224.0797	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M"	0
"986937"	205.06131	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H2O-H"	-19.01839
"74088"	148.379190666667	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-3H"	-3.021828
"508180"	223.072424	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-3H"	-3.021828
"887076"	73.6859573333333	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-3H"	-3.021828
"4556"	223.072424	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H"	-2.014552
"444115"	335.112274	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H"	-2.014552
"818150"	111.032574	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H"	-2.014552
"80451"	447.152124	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-H"	-1.007276
"520858"	671.231824	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-H"	-1.007276
"900367"	223.072424	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H"	-1.007276
"53657"	464.178671	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+NH4"	16.019271
"494308"	688.258371	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+NH4"	16.019271
"872110"	240.098971	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+NH4"	16.019271
"40011"	469.134066	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+Na"	20.974666
"480665"	693.213766	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+Na"	20.974666
"859200"	245.054366	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+Na"	20.974666
"1629095"	245.054366	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na-2H"	20.974666
"107085"	241.060763	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-H+Cl"	33.962126
"543001"	353.100613	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-H+Cl"	33.962126
"933235"	129.020913	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+Cl"	33.962126
"270701"	483.128802	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Cl"	34.969402
"665307"	707.208502	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Cl"	34.969402
"1277711"	259.049102	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl"	34.969402
"21358"	485.108006	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M-2H+K"	36.948606
"459824"	709.187706	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M-2H+K"	36.948606
"836531"	261.028306	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-2H+K"	36.948606
"1556007"	261.028306	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K-2H"	36.948606
"944623"	269.077894	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+HCOOH"	44.998194
"366120"	493.157601	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+HCOOH-H"	44.998201
"347084"	507.173251	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Hac-H"	59.013851
"1495918"	283.093551	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Hac-H"	59.013851
"959570"	291.059851	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+NaCOOH"	66.980151
"113462"	259.049102	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Cl"	69.938804
"551562"	371.088952	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Cl"	69.938804
"1022548"	147.009252	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Cl"	69.938804
"1242494"	302.998585	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Br"	78.918885
"1305310"	305.054572	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+HCOOH"	80.974872
"1320253"	327.036529	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+NaCOOH"	102.956829
"917879"	337.065286	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M-H+CF3COOH"	112.985586
"1291303"	373.041964	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Cl+CF3COOH"	148.962264
"1379316"	189.067024	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H-2H2O"	-35.012676
"1390979"	207.077	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H-H2O"	-17.0027
"288479"	449.166676	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H"	1.007276
"681998"	673.246376	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H"	1.007276
"1351699"	225.086976	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H"	1.007276
"129049"	225.086976	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2H"	2.014552
"566296"	337.126826	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2H"	2.014552
"1037770"	113.047126	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2H"	2.014552
"205064"	150.393742666667	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+3H"	3.021828
"645230"	225.086976	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+3H"	3.021828
"1163840"	75.7005093333333	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3H"	3.021828
"426269"	466.193223	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+NH4"	18.033823
"786287"	690.272923	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+NH4"	18.033823
"1682502"	242.113523	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4"	18.033823
"331023"	233.6002495	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+NH4"	19.041099
"723927"	345.6400995	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+NH4"	19.041099
"1478235"	121.5603995	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+NH4"	19.041099
"395701"	471.148618	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Na"	22.989218
"755115"	695.228318	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Na"	22.989218
"1616966"	247.068918	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na"	22.989218
"329307"	236.077947	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+Na"	23.996494
"721492"	348.117797	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+Na"	23.996494
"1476279"	124.038097	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+Na"	23.996494
"1067462"	83.0278233333333	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2H+Na"	25.00377
"1271687"	257.113186	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+CH3OH+H"	33.033486
"389892"	487.122558	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+K"	38.963158
"751986"	711.202258	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+K"	38.963158
"1549668"	263.042858	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K"	38.963158
"309032"	244.064917	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+H+K"	39.970434
"702545"	356.104767	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+H+K"	39.970434
"1457459"	132.025067	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+K"	39.970434
"249340"	490.193226	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+ACN+H"	42.033826
"1223143"	266.113526	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+H"	42.033826
"1206299"	133.560401	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+2H"	43.041102
"201723"	493.13056	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Na-H"	44.97116
"642374"	717.21026	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Na-H"	44.97116
"1144785"	269.05086	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Na-H"	44.97116
"185159"	247.068918	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2Na"	45.978436
"623622"	359.108768	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2Na"	45.978436
"1123845"	135.029068	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2Na"	45.978436
"1400808"	90.3551373333333	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+2Na"	46.985712
"1437301"	271.092446	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+HCOOH"	47.012746
"223713"	252.10194	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+3H2O+2H"	56.04448
"1510679"	285.14449	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+H"	61.06479
"413655"	255.055888	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+Na+K"	61.952376
"771372"	367.095738	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+Na+K"	61.952376
"1668797"	143.016038	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+K"	61.952376
"255316"	512.175168	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+ACN+Na"	64.015768
"1229118"	288.095468	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+ACN+Na"	64.015768
"1715817"	288.118993	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4+HCOOH"	64.039293
"1186644"	97.6824513333333	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3Na"	68.967654
"1659819"	293.074388	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+HCOOH"	68.994688
"172274"	525.07844	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2K-H"	76.91904
"610253"	749.15814	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2K-H"	76.91904
"1094408"	300.99874	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K-H"	76.91904
"153410"	263.042858	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"2M+2K"	77.926316
"595159"	375.082708	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"3M+2K"	77.926316
"1081129"	151.003008	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K"	77.926316
"1111419"	303.013292	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2K+H"	78.933592
"1347802"	303.100907	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+DMSO+H"	79.021207
"1018525"	307.140076	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2ACN+H"	83.060376
"1533371"	308.133708	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+Na+H"	84.054008
"997630"	154.073676	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+2ACN+2H"	84.067652
"1600881"	309.048328	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K+HCOOH"	84.968628
"1423259"	339.079838	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+H+CF3COOH"	115.000138
"1150267"	174.586951	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+3ACN+2H"	125.094202
"1702005"	356.106385	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+NH4+CF3COOH"	132.026685
"1642030"	361.06178	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+Na+CF3COOH"	136.98208
"1586430"	377.03572	"C05651"	"5-Hydroxykynurenine;5-Hydroxy-L-kynurenine"	"C10H12N2O4"	"224.0797"	"M+K+CF3COOH"	152.95602
"813515"	223.0481	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M"	0
"985954"	204.02971	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H2O-H"	-19.01839
"75292"	147.691457333333	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-3H"	-3.021828
"510477"	222.040824	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-3H"	-3.021828
"890466"	73.3420906666667	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-3H"	-3.021828
"7947"	222.040824	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H"	-2.014552
"444225"	333.564874	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H"	-2.014552
"819111"	110.516774	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H"	-2.014552
"80197"	445.088924	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-H"	-1.007276
"520118"	668.137024	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-H"	-1.007276
"897926"	222.040824	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H"	-1.007276
"54859"	462.115471	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H+NH4"	16.019271
"493325"	685.163571	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H+NH4"	16.019271
"872219"	239.067371	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H+NH4"	16.019271
"40121"	467.070866	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H+Na"	20.974666
"474335"	690.118966	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H+Na"	20.974666
"858581"	244.022766	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H+Na"	20.974666
"1631392"	244.022766	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na-2H"	20.974666
"107924"	240.029163	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-H+Cl"	33.962126
"544205"	351.553213	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-H+Cl"	33.962126
"934439"	128.505113	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+Cl"	33.962126
"268987"	481.065602	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Cl"	34.969402
"664688"	704.113702	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+Cl"	34.969402
"1277821"	258.017502	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl"	34.969402
"22561"	483.044806	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M-2H+K"	36.948606
"458840"	706.092906	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M-2H+K"	36.948606
"835546"	259.996706	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-2H+K"	36.948606
"1556843"	259.996706	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K-2H"	36.948606
"945461"	268.046294	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+HCOOH"	44.998194
"364772"	491.094401	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+HCOOH-H"	44.998201
"347557"	505.110051	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Hac-H"	59.013851
"1495664"	282.061951	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Hac-H"	59.013851
"960407"	290.028251	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+NaCOOH"	66.980151
"112843"	258.017502	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2Cl"	69.938804
"552766"	369.541552	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2Cl"	69.938804
"1023388"	146.493452	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2Cl"	69.938804
"1242117"	301.966985	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Br"	78.918885
"1305055"	304.022972	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl+HCOOH"	80.974872
"1321092"	326.004929	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl+NaCOOH"	102.956829
"915798"	336.033686	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M-H+CF3COOH"	112.985586
"1291049"	372.010364	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Cl+CF3COOH"	148.962264
"1374686"	188.035424	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H-2H2O"	-35.012676
"1391089"	206.0454	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H-H2O"	-17.0027
"288953"	447.103476	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H"	1.007276
"687575"	670.151576	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H"	1.007276
"1353716"	224.055376	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H"	1.007276
"127336"	224.055376	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2H"	2.014552
"566527"	335.579426	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2H"	2.014552
"1038974"	112.531326	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2H"	2.014552
"205419"	149.706009333333	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+3H"	3.021828
"644613"	224.055376	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+3H"	3.021828
"1163830"	75.3566426666667	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+3H"	3.021828
"424294"	464.130023	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+NH4"	18.033823
"786398"	687.178123	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+NH4"	18.033823
"1682612"	241.081923	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+NH4"	18.033823
"330035"	232.5686495	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H+NH4"	19.041099
"723061"	344.0926995	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H+NH4"	19.041099
"1478587"	121.0445995	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+NH4"	19.041099
"395811"	469.085418	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Na"	22.989218
"755712"	692.133518	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+Na"	22.989218
"1613658"	246.037318	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na"	22.989218
"328068"	235.046347	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H+Na"	23.996494
"717208"	346.570397	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H+Na"	23.996494
"1476136"	123.522297	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+Na"	23.996494
"1067200"	82.6839566666667	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2H+Na"	25.00377
"1265962"	256.081586	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+CH3OH+H"	33.033486
"389999"	485.059358	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+K"	38.963158
"753918"	708.107458	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+K"	38.963158
"1554152"	262.011258	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K"	38.963158
"313276"	243.033317	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+H+K"	39.970434
"705206"	354.557367	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+H+K"	39.970434
"1460118"	131.509267	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+K"	39.970434
"245074"	488.130026	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+ACN+H"	42.033826
"1223253"	265.081926	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+ACN+H"	42.033826
"1206775"	133.044601	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+ACN+2H"	43.041102
"201103"	491.06736	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2Na-H"	44.97116
"642850"	714.11546	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2Na-H"	44.97116
"1145623"	268.01926	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2Na-H"	44.97116
"187457"	246.037318	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2Na"	45.978436
"622639"	357.561368	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2Na"	45.978436
"1126142"	134.513268	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2Na"	45.978436
"1407478"	90.0112706666667	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+2Na"	46.985712
"1435224"	270.060846	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+HCOOH"	47.012746
"223824"	251.07034	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+3H2O+2H"	56.04448
"1510059"	284.11289	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+IsoProp+H"	61.06479
"415952"	254.024288	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+Na+K"	61.952376
"770142"	365.548338	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+Na+K"	61.952376
"1666718"	142.500238	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na+K"	61.952376
"252146"	510.111968	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+ACN+Na"	64.015768
"1227041"	287.063868	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+ACN+Na"	64.015768
"1715927"	287.087393	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+NH4+HCOOH"	64.039293
"1180914"	97.3385846666667	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+3Na"	68.967654
"1651539"	292.042788	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na+HCOOH"	68.994688
"159128"	523.01524	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2K-H"	76.91904
"606351"	746.06334	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2K-H"	76.91904
"1093051"	299.96714	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2K-H"	76.91904
"155581"	262.011258	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"2M+2K"	77.926316
"594538"	373.535308	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"3M+2K"	77.926316
"1082575"	150.487208	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2K"	77.926316
"1109342"	301.981692	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2K+H"	78.933592
"1347912"	302.069307	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+DMSO+H"	79.021207
"1016814"	306.108476	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2ACN+H"	83.060376
"1533481"	307.102108	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+IsoProp+Na+H"	84.054008
"994460"	153.557876	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+2ACN+2H"	84.067652
"1601357"	308.016728	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K+HCOOH"	84.968628
"1425557"	338.048238	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+H+CF3COOH"	115.000138
"1153658"	174.071151	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+3ACN+2H"	125.094202
"1701022"	355.074785	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+NH4+CF3COOH"	132.026685
"1638860"	360.03018	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+Na+CF3COOH"	136.98208
"1586540"	376.00412	"C05652"	"4-(2-Amino-5-hydroxyphenyl)-24-dioxobutanoate"	"C10H9NO5"	"223.0481"	"M+K+CF3COOH"	152.95602
"815812"	165.0426	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M"	0
"986064"	146.02421	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-H2O-H"	-19.01839
"75402"	109.021124	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M-3H"	-3.021828
"509494"	164.035324	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M-3H"	-3.021828
"888388"	54.006924	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-3H"	-3.021828
"6963"	164.035324	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M-2H"	-2.014552
"442149"	246.556624	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M-2H"	-2.014552
"821044"	81.514024	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-2H"	-2.014552
"81033"	329.077924	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M-H"	-1.007276
"519377"	494.120524	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M-H"	-1.007276
"899494"	164.035324	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-H"	-1.007276
"49502"	346.104471	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M-2H+NH4"	16.019271
"489423"	511.147071	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M-2H+NH4"	16.019271
"867953"	181.061871	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-2H+NH4"	16.019271
"34032"	351.059866	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M-2H+Na"	20.974666
"475415"	516.102466	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M-2H+Na"	20.974666
"859784"	186.017266	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-2H+Na"	20.974666
"1626035"	186.017266	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Na-2H"	20.974666
"100378"	182.023663	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M-H+Cl"	33.962126
"539941"	264.544963	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M-H+Cl"	33.962126
"933455"	99.502363	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-H+Cl"	33.962126
"275292"	365.054602	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+Cl"	34.969402
"663340"	530.097202	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+Cl"	34.969402
"1276836"	200.012002	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Cl"	34.969402
"18297"	367.033806	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M-2H+K"	36.948606
"458950"	532.076406	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M-2H+K"	36.948606
"835291"	201.991206	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-2H+K"	36.948606
"1555981"	201.991206	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+K-2H"	36.948606
"945204"	210.040794	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-H+HCOOH"	44.998194
"365246"	375.083401	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+HCOOH-H"	44.998201
"348032"	389.099051	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+Hac-H"	59.013851
"1495406"	224.056451	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Hac-H"	59.013851
"961127"	232.022751	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-H+NaCOOH"	66.980151
"113680"	200.012002	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+2Cl"	69.938804
"553240"	282.533302	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+2Cl"	69.938804
"1023134"	117.490702	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2Cl"	69.938804
"1243078"	243.961485	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Br"	78.918885
"1306988"	246.017472	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Cl+HCOOH"	80.974872
"1321689"	267.999429	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Cl+NaCOOH"	102.956829
"914814"	278.028186	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M-H+CF3COOH"	112.985586
"1291161"	314.004864	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Cl+CF3COOH"	148.962264
"1368230"	130.029924	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H-2H2O"	-35.012676
"1384270"	148.0399	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H-H2O"	-17.0027
"288699"	331.092476	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+H"	1.007276
"682217"	496.135076	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+H"	1.007276
"1353828"	166.049876	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H"	1.007276
"129269"	166.049876	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+2H"	2.014552
"568099"	248.571176	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+2H"	2.014552
"1037983"	83.528576	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2H"	2.014552
"204920"	111.035676	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+3H"	3.021828
"645206"	166.049876	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+3H"	3.021828
"1164669"	56.021476	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+3H"	3.021828
"425514"	348.119023	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+NH4"	18.033823
"786748"	513.161623	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+NH4"	18.033823
"1681868"	183.076423	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+NH4"	18.033823
"330510"	174.5631495	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+H+NH4"	19.041099
"724510"	257.0844495	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+H+NH4"	19.041099
"1477401"	92.0418495	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H+NH4"	19.041099
"396285"	353.074418	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+Na"	22.989218
"755698"	518.117018	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+Na"	22.989218
"1611581"	188.031818	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Na"	22.989218
"325991"	177.040847	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+H+Na"	23.996494
"716224"	259.562147	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+H+Na"	23.996494
"1474420"	94.519547	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H+Na"	23.996494
"1060011"	63.34879	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2H+Na"	25.00377
"1266072"	198.076086	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+CH3OH+H"	33.033486
"389016"	369.048358	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+K"	38.963158
"753299"	534.090958	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+K"	38.963158
"1554265"	204.005758	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+K"	38.963158
"313264"	185.027817	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+H+K"	39.970434
"706046"	267.549117	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+H+K"	39.970434
"1457312"	102.506517	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H+K"	39.970434
"245184"	372.119026	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+ACN+H"	42.033826
"1222267"	207.076426	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+ACN+H"	42.033826
"1207250"	104.041851	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+ACN+2H"	43.041102
"203522"	375.05636	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+2Na-H"	44.97116
"643566"	540.09896	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+2Na-H"	44.97116
"1145368"	210.01376	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2Na-H"	44.97116
"187201"	188.031818	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+2Na"	45.978436
"621656"	270.553118	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+2Na"	45.978436
"1124065"	105.510518	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2Na"	45.978436
"1404308"	70.676104	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H+2Na"	46.985712
"1435334"	212.055346	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H+HCOOH"	47.012746
"221746"	193.06484	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+3H2O+2H"	56.04448
"1510535"	226.10739	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+IsoProp+H"	61.06479
"416061"	196.018788	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+Na+K"	61.952376
"772686"	278.540088	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+Na+K"	61.952376
"1667920"	113.497488	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Na+K"	61.952376
"253348"	394.100968	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+ACN+Na"	64.015768
"1227879"	229.058368	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+ACN+Na"	64.015768
"1716037"	229.081893	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+NH4+HCOOH"	64.039293
"1182115"	78.003418	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+3Na"	68.967654
"1652012"	234.037288	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Na+HCOOH"	68.994688
"158994"	407.00424	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+2K-H"	76.91904
"603180"	572.04684	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+2K-H"	76.91904
"1095347"	241.96164	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2K-H"	76.91904
"155325"	204.005758	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"2M+2K"	77.926316
"594285"	286.527058	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"3M+2K"	77.926316
"1080620"	121.484458	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2K"	77.926316
"1111639"	243.976192	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2K+H"	78.933592
"1347658"	244.063807	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+DMSO+H"	79.021207
"1018016"	248.102976	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2ACN+H"	83.060376
"1534682"	249.096608	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+IsoProp+Na+H"	84.054008
"993476"	124.555126	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+2ACN+2H"	84.067652
"1601467"	250.011228	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+K+HCOOH"	84.968628
"1423479"	280.042738	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+H+CF3COOH"	115.000138
"1151581"	145.068401	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+3ACN+2H"	125.094202
"1698945"	297.069285	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+NH4+CF3COOH"	132.026685
"1638970"	302.02468	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+Na+CF3COOH"	136.98208
"1586650"	317.99862	"C05653"	"Formylanthranilate;N-Formylanthranilate;2-(Formylamino)-benzoic acid"	"C8H7NO3"	"165.0426"	"M+K+CF3COOH"	152.95602
"815801"	211.0481	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M"	0
"982894"	192.02971	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-H2O-H"	-19.01839
"78421"	139.691457333333	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M-3H"	-3.021828
"516165"	210.040824	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M-3H"	-3.021828
"890686"	69.3420906666667	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-3H"	-3.021828
"10354"	210.040824	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M-2H"	-2.014552
"447726"	315.564874	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M-2H"	-2.014552
"821154"	104.516774	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-2H"	-2.014552
"79081"	421.088924	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M-H"	-1.007276
"518754"	632.137024	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M-H"	-1.007276
"897417"	210.040824	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-H"	-1.007276
"49608"	438.115471	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M-2H+NH4"	16.019271
"489896"	649.163571	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M-2H+NH4"	16.019271
"868064"	227.067371	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-2H+NH4"	16.019271
"35965"	443.070866	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M-2H+Na"	20.974666
"475526"	654.118966	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M-2H+Na"	20.974666
"858801"	232.022766	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-2H+Na"	20.974666
"1629425"	232.022766	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Na-2H"	20.974666
"102675"	228.029163	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M-H+Cl"	33.962126
"538958"	333.553213	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M-H+Cl"	33.962126
"930285"	122.505113	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-H+Cl"	33.962126
"273216"	457.065602	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+Cl"	34.969402
"661140"	668.113702	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+Cl"	34.969402
"1273787"	246.017502	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Cl"	34.969402
"16825"	459.044806	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M-2H+K"	36.948606
"456749"	670.092906	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M-2H+K"	36.948606
"833579"	247.996706	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-2H+K"	36.948606
"1556458"	247.996706	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+K-2H"	36.948606
"943858"	256.046294	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-H+HCOOH"	44.998194
"364992"	467.094401	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+HCOOH-H"	44.998201
"346319"	481.110051	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+Hac-H"	59.013851
"1493450"	270.061951	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Hac-H"	59.013851
"959777"	278.028251	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-H+NaCOOH"	66.980151
"110630"	246.017502	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+2Cl"	69.938804
"552257"	351.541552	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+2Cl"	69.938804
"1021785"	140.493452	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2Cl"	69.938804
"1242096"	289.966985	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Br"	78.918885
"1306734"	292.022972	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Cl+HCOOH"	80.974872
"1322408"	314.004929	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Cl+NaCOOH"	102.956829
"915654"	324.033686	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M-H+CF3COOH"	112.985586
"1289566"	360.010364	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Cl+CF3COOH"	148.962264
"1369433"	176.035424	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H-2H2O"	-35.012676
"1384377"	194.0454	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H-H2O"	-17.0027
"283335"	423.103476	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+H"	1.007276
"679047"	634.151576	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+H"	1.007276
"1353210"	212.055376	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H"	1.007276
"130472"	212.055376	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+2H"	2.014552
"567115"	317.579426	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+2H"	2.014552
"1038826"	106.531326	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2H"	2.014552
"204665"	141.706009333333	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+3H"	3.021828
"645073"	212.055376	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+3H"	3.021828
"1164050"	71.3566426666667	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+3H"	3.021828
"424410"	440.130023	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+NH4"	18.033823
"786495"	651.178123	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+NH4"	18.033823
"1681978"	229.081923	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+NH4"	18.033823
"331107"	220.5686495	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+H+NH4"	19.041099
"722954"	326.0926995	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+H+NH4"	19.041099
"1477957"	115.0445995	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H+NH4"	19.041099
"396031"	445.085418	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+Na"	22.989218
"755933"	656.133518	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+Na"	22.989218
"1614971"	234.037318	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Na"	22.989218
"327194"	223.046347	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+H+Na"	23.996494
"719618"	328.570397	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+H+Na"	23.996494
"1475626"	117.522297	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H+Na"	23.996494
"1059027"	78.6839566666667	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2H+Na"	25.00377
"1269457"	244.081586	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+CH3OH+H"	33.033486
"390219"	461.059358	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+K"	38.963158
"753775"	672.107458	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+K"	38.963158
"1552553"	250.011258	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+K"	38.963158
"312888"	231.033317	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+H+K"	39.970434
"705794"	336.557367	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+H+K"	39.970434
"1457789"	125.509267	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H+K"	39.970434
"248210"	464.130026	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+ACN+H"	42.033826
"1223107"	253.081926	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+ACN+H"	42.033826
"1207360"	127.044601	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+ACN+2H"	43.041102
"201689"	467.06736	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+2Na-H"	44.97116
"643678"	678.11546	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+2Na-H"	44.97116
"1146819"	256.01926	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2Na-H"	44.97116
"187678"	234.037318	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+2Na"	45.978436
"626506"	339.561368	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+2Na"	45.978436
"1126364"	128.513268	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2Na"	45.978436
"1407699"	86.0112706666667	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H+2Na"	46.985712
"1435444"	258.060846	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H+HCOOH"	47.012746
"222221"	239.07034	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+3H2O+2H"	56.04448
"1517576"	272.11289	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+IsoProp+H"	61.06479
"412893"	242.024288	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+Na+K"	61.952376
"771216"	347.548338	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+Na+K"	61.952376
"1666332"	136.500238	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Na+K"	61.952376
"256742"	486.111968	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+ACN+Na"	64.015768
"1232728"	275.063868	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+ACN+Na"	64.015768
"1717242"	275.087393	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+NH4+HCOOH"	64.039293
"1182228"	93.3385846666667	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+3Na"	68.967654
"1653583"	280.042788	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Na+HCOOH"	68.994688
"163724"	499.01524	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+2K-H"	76.91904
"601102"	710.06334	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+2K-H"	76.91904
"1094364"	287.96714	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2K-H"	76.91904
"153370"	250.011258	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"2M+2K"	77.926316
"594023"	355.535308	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"3M+2K"	77.926316
"1080727"	144.487208	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2K"	77.926316
"1112477"	289.981692	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2K+H"	78.933592
"1347770"	290.069307	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+DMSO+H"	79.021207
"1016667"	294.108476	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2ACN+H"	83.060376
"1532607"	295.102108	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+IsoProp+Na+H"	84.054008
"991642"	147.557876	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+2ACN+2H"	84.067652
"1600117"	296.016728	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+K+HCOOH"	84.968628
"1425412"	326.048238	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+H+CF3COOH"	115.000138
"1151691"	168.071151	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+3ACN+2H"	125.094202
"1699055"	343.074785	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+NH4+CF3COOH"	132.026685
"1642360"	348.03018	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+Na+CF3COOH"	136.98208
"1586760"	364.00412	"C05654"	"5-(2-Formylethyl)-46-dihydroxypicolinate;5-(beta-Formylethyl)-46-dihydroxypicolinate"	"C9H9NO5"	"211.0481"	"M+K+CF3COOH"	152.95602
"814939"	227.043	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M"	0
"985191"	208.02461	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-H2O-H"	-19.01839
"77935"	150.354724	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M-3H"	-3.021828
"516275"	226.035724	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M-3H"	-3.021828
"892983"	74.673724	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-3H"	-3.021828
"5361"	226.035724	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M-2H"	-2.014552
"445649"	339.557224	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M-2H"	-2.014552
"820170"	112.514224	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-2H"	-2.014552
"79191"	453.078724	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M-H"	-1.007276
"519231"	680.121724	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M-H"	-1.007276
"896307"	226.035724	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-H"	-1.007276
"51907"	470.105271	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M-2H+NH4"	16.019271
"488912"	697.148271	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M-2H+NH4"	16.019271
"866350"	243.062271	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-2H+NH4"	16.019271
"34252"	475.060666	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M-2H+Na"	20.974666
"478914"	702.103666	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M-2H+Na"	20.974666
"850887"	248.017666	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-2H+Na"	20.974666
"1624069"	248.017666	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Na-2H"	20.974666
"100597"	244.024063	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M-H+Cl"	33.962126
"535056"	357.545563	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M-H+Cl"	33.962126
"929300"	130.502563	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-H+Cl"	33.962126
"272232"	489.055402	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+Cl"	34.969402
"661372"	716.098402	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+Cl"	34.969402
"1274140"	262.012402	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Cl"	34.969402
"17424"	491.034606	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M-2H+K"	36.948606
"456373"	718.077606	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M-2H+K"	36.948606
"834175"	263.991606	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-2H+K"	36.948606
"1555599"	263.991606	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+K-2H"	36.948606
"944331"	272.041194	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-H+HCOOH"	44.998194
"362549"	499.084201	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+HCOOH-H"	44.998201
"345861"	513.099851	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+Hac-H"	59.013851
"1493030"	286.056851	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Hac-H"	59.013851
"959522"	294.023151	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-H+NaCOOH"	66.980151
"110981"	262.012402	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+2Cl"	69.938804
"551638"	375.533902	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+2Cl"	69.938804
"1021689"	148.490902	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2Cl"	69.938804
"1241597"	305.961885	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Br"	78.918885
"1306844"	308.017872	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Cl+HCOOH"	80.974872
"1322882"	329.999829	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Cl+NaCOOH"	102.956829
"914307"	340.028586	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M-H+CF3COOH"	112.985586
"1290648"	376.005264	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Cl+CF3COOH"	148.962264
"1368814"	192.030324	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H-2H2O"	-35.012676
"1384123"	210.0403	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H-H2O"	-17.0027
"283566"	455.093276	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+H"	1.007276
"680250"	682.136276	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+H"	1.007276
"1355506"	228.050276	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H"	1.007276
"130582"	228.050276	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+2H"	2.014552
"569048"	341.571776	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+2H"	2.014552
"1038330"	114.528776	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2H"	2.014552
"206113"	152.369276	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+3H"	3.021828
"645306"	228.050276	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+3H"	3.021828
"1164525"	76.688276	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+3H"	3.021828
"424885"	472.119823	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+NH4"	18.033823
"786606"	699.162823	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+NH4"	18.033823
"1685126"	245.076823	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+NH4"	18.033823
"331219"	236.5635495	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+H+NH4"	19.041099
"723393"	350.0850495	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+H+NH4"	19.041099
"1477583"	123.0420495	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H+NH4"	19.041099
"396141"	477.075218	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+Na"	22.989218
"755313"	704.118218	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+Na"	22.989218
"1609610"	250.032218	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Na"	22.989218
"324024"	239.041247	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+H+Na"	23.996494
"716448"	352.562747	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+H+Na"	23.996494
"1472456"	125.519747	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H+Na"	23.996494
"1058408"	84.01559	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2H+Na"	25.00377
"1269203"	260.076486	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+CH3OH+H"	33.033486
"384861"	493.049158	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+K"	38.963158
"753521"	720.092158	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+K"	38.963158
"1553027"	266.006158	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+K"	38.963158
"313363"	247.028217	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+H+K"	39.970434
"705904"	360.549717	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+H+K"	39.970434
"1457532"	133.506717	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H+K"	39.970434
"249050"	496.119826	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+ACN+H"	42.033826
"1222853"	269.076826	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+ACN+H"	42.033826
"1207470"	135.042051	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+ACN+2H"	43.041102
"202526"	499.05716	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+2Na-H"	44.97116
"643178"	726.10016	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+2Na-H"	44.97116
"1146078"	272.01416	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2Na-H"	44.97116
"187059"	250.032218	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+2Na"	45.978436
"626250"	363.553718	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+2Na"	45.978436
"1122101"	136.510718	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2Na"	45.978436
"1404528"	91.342904	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H+2Na"	46.985712
"1435918"	274.055746	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H+HCOOH"	47.012746
"220020"	255.06524	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+3H2O+2H"	56.04448
"1517686"	288.10779	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+IsoProp+H"	61.06479
"415555"	258.019188	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+Na+K"	61.952376
"772176"	371.540688	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+Na+K"	61.952376
"1668141"	144.497688	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Na+K"	61.952376
"255029"	518.101768	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+ACN+Na"	64.015768
"1228829"	291.058768	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+ACN+Na"	64.015768
"1718446"	291.082293	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+NH4+HCOOH"	64.039293
"1180879"	98.670218	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+3Na"	68.967654
"1653693"	296.037688	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Na+HCOOH"	68.994688
"161648"	531.00504	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+2K-H"	76.91904
"601213"	758.04804	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+2K-H"	76.91904
"1095568"	303.96204	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2K-H"	76.91904
"153479"	266.006158	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"2M+2K"	77.926316
"591947"	379.527658	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"3M+2K"	77.926316
"1082901"	152.484658	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2K"	77.926316
"1110764"	305.976592	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2K+H"	78.933592
"1348854"	306.064207	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+DMSO+H"	79.021207
"1015684"	310.103376	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2ACN+H"	83.060376
"1533810"	311.097008	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+IsoProp+Na+H"	84.054008
"991020"	155.555326	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+2ACN+2H"	84.067652
"1600955"	312.011628	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+K+HCOOH"	84.968628
"1424792"	342.043138	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+H+CF3COOH"	115.000138
"1151801"	176.068601	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+3ACN+2H"	125.094202
"1700258"	359.069685	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+NH4+CF3COOH"	132.026685
"1642470"	364.02508	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+Na+CF3COOH"	136.98208
"1586870"	379.99902	"C05655"	"5-(2-Carboxyethyl)-46-dihydroxypicolinate;5-(beta-Carboxyethyl)-46-dihydroxypicolinate"	"C9H9NO6"	"227.043"	"M+K+CF3COOH"	152.95602
"815049"	255.0379	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M"	0
"985301"	236.01951	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-H2O-H"	-19.01839
"77556"	169.017990666667	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M-3H"	-3.021828
"516264"	254.030624	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M-3H"	-3.021828
"893093"	84.0053573333333	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-3H"	-3.021828
"7293"	254.030624	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M-2H"	-2.014552
"445759"	381.549574	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M-2H"	-2.014552
"821374"	126.511674	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-2H"	-2.014552
"80273"	509.068524	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M-H"	-1.007276
"518980"	764.106424	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M-H"	-1.007276
"895813"	254.030624	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-H"	-1.007276
"48370"	526.095071	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M-2H+NH4"	16.019271
"487927"	781.132971	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M-2H+NH4"	16.019271
"864637"	271.057171	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-2H+NH4"	16.019271
"32175"	531.050466	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M-2H+Na"	20.974666
"479024"	786.088366	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M-2H+Na"	20.974666
"848573"	276.012566	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-2H+Na"	20.974666
"1624178"	276.012566	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Na-2H"	20.974666
"98520"	272.018963	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M-H+Cl"	33.962126
"536987"	399.537913	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M-H+Cl"	33.962126
"928073"	144.500013	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-H+Cl"	33.962126
"269546"	545.045202	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+Cl"	34.969402
"660059"	800.083102	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+Cl"	34.969402
"1274371"	290.007302	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Cl"	34.969402
"16028"	547.024406	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M-2H+K"	36.948606
"456116"	802.062306	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M-2H+K"	36.948606
"832889"	291.986506	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-2H+K"	36.948606
"1555620"	291.986506	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+K-2H"	36.948606
"942926"	300.036094	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-H+HCOOH"	44.998194
"361476"	555.074001	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+HCOOH-H"	44.998201
"345737"	569.089651	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+Hac-H"	59.013851
"1494274"	314.051751	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Hac-H"	59.013851
"959268"	322.018051	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-H+NaCOOH"	66.980151
"110525"	290.007302	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+2Cl"	69.938804
"552838"	417.526252	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+2Cl"	69.938804
"1021478"	162.488352	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2Cl"	69.938804
"1241332"	333.956785	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Br"	78.918885
"1306467"	336.012772	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Cl+HCOOH"	80.974872
"1320002"	357.994729	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Cl+NaCOOH"	102.956829
"914053"	368.023486	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M-H+CF3COOH"	112.985586
"1290272"	404.000164	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Cl+CF3COOH"	148.962264
"1367826"	220.025224	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H-2H2O"	-35.012676
"1384235"	238.0352	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H-H2O"	-17.0027
"284284"	511.083076	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+H"	1.007276
"680360"	766.120976	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+H"	1.007276
"1353429"	256.045176	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H"	1.007276
"130692"	256.045176	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+2H"	2.014552
"568065"	383.564126	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+2H"	2.014552
"1039776"	128.526226	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2H"	2.014552
"204763"	171.032542666667	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+3H"	3.021828
"645172"	256.045176	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+3H"	3.021828
"1165728"	86.0199093333333	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+3H"	3.021828
"425354"	528.109623	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+NH4"	18.033823
"786350"	783.147523	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+NH4"	18.033823
"1683050"	273.071723	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+NH4"	18.033823
"331329"	264.5584495	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+H+NH4"	19.041099
"723868"	392.0773995	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+H+NH4"	19.041099
"1478905"	137.0394995	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H+NH4"	19.041099
"396251"	533.065018	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+Na"	22.989218
"755176"	788.102918	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+Na"	22.989218
"1603396"	278.027118	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Na"	22.989218
"326320"	267.036147	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+H+Na"	23.996494
"716558"	394.555097	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+H+Na"	23.996494
"1472566"	139.517197	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H+Na"	23.996494
"1058518"	93.3472233333333	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2H+Na"	25.00377
"1263116"	288.071386	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+CH3OH+H"	33.033486
"382785"	549.038958	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+K"	38.963158
"747061"	804.076858	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+K"	38.963158
"1551313"	294.001058	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+K"	38.963158
"309581"	275.023117	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+H+K"	39.970434
"704553"	402.542067	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+H+K"	39.970434
"1457642"	147.504167	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H+K"	39.970434
"245514"	552.109626	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+ACN+H"	42.033826
"1221869"	297.071726	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+ACN+H"	42.033826
"1206847"	149.039501	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+ACN+2H"	43.041102
"199355"	555.04696	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+2Na-H"	44.97116
"639278"	810.08486	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+2Na-H"	44.97116
"1141324"	300.00906	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2Na-H"	44.97116
"185347"	278.027118	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+2Na"	45.978436
"624174"	405.546068	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+2Na"	45.978436
"1124397"	150.508168	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2Na"	45.978436
"1404638"	100.674537333333	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H+2Na"	46.985712
"1433477"	302.050646	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H+HCOOH"	47.012746
"220653"	283.06014	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+3H2O+2H"	56.04448
"1515609"	316.10269	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+IsoProp+H"	61.06479
"411654"	286.014088	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+Na+K"	61.952376
"773015"	413.533038	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+Na+K"	61.952376
"1666791"	158.495138	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Na+K"	61.952376
"254044"	574.091568	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+ACN+Na"	64.015768
"1227478"	319.053668	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+ACN+Na"	64.015768
"1715272"	319.077193	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+NH4+HCOOH"	64.039293
"1179528"	108.001851333333	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+3Na"	68.967654
"1651250"	324.032588	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Na+HCOOH"	68.994688
"160663"	586.99484	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+2K-H"	76.91904
"598163"	842.03274	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+2K-H"	76.91904
"1091304"	331.95694	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2K-H"	76.91904
"153588"	294.001058	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"2M+2K"	77.926316
"589869"	421.520008	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"3M+2K"	77.926316
"1078760"	166.482108	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2K"	77.926316
"1108688"	333.971492	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2K+H"	78.933592
"1347262"	334.059107	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+DMSO+H"	79.021207
"1014701"	338.098276	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2ACN+H"	83.060376
"1533919"	339.091908	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+IsoProp+Na+H"	84.054008
"990643"	169.552776	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+2ACN+2H"	84.067652
"1600337"	340.006528	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+K+HCOOH"	84.968628
"1423809"	370.038038	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+H+CF3COOH"	115.000138
"1151911"	190.066051	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+3ACN+2H"	125.094202
"1700368"	387.064585	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+NH4+CF3COOH"	132.026685
"1642580"	392.01998	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+Na+CF3COOH"	136.98208
"1586980"	407.99392	"C05656"	"5-(3-Carboxy-3-oxopropyl)-46-dihydroxypicolinate;5-(gamma-Carboxy-gamma-oxopropyl)-46-dihydroxypicolinate"	"C10H9NO7"	"255.0379"	"M+K+CF3COOH"	152.95602
"816252"	221.0688	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M"	0
"986504"	202.05041	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-H2O-H"	-19.01839
"78035"	146.371924	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M-3H"	-3.021828
"517588"	220.061524	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M-3H"	-3.021828
"894985"	72.682324	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-3H"	-3.021828
"7403"	220.061524	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M-2H"	-2.014552
"449149"	330.595924	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M-2H"	-2.014552
"824764"	109.527124	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-2H"	-2.014552
"81476"	441.130324	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M-H"	-1.007276
"520671"	662.199124	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M-H"	-1.007276
"898110"	220.061524	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-H"	-1.007276
"49940"	458.156871	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M-2H+NH4"	16.019271
"487913"	679.225671	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M-2H+NH4"	16.019271
"865350"	237.088071	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-2H+NH4"	16.019271
"33014"	463.112266	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M-2H+Na"	20.974666
"478041"	684.181066	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M-2H+Na"	20.974666
"848756"	242.043466	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-2H+Na"	20.974666
"1622102"	242.043466	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Na-2H"	20.974666
"99723"	238.049863	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M-H+Cl"	33.962126
"538190"	348.584263	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M-H+Cl"	33.962126
"927735"	127.515463	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-H+Cl"	33.962126
"269170"	477.107002	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+Cl"	34.969402
"660497"	698.175802	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+Cl"	34.969402
"1273995"	256.038202	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Cl"	34.969402
"16913"	479.086206	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M-2H+K"	36.948606
"456106"	700.155006	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M-2H+K"	36.948606
"835004"	258.017406	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-2H+K"	36.948606
"1556182"	258.017406	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+K-2H"	36.948606
"944919"	266.066994	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-H+HCOOH"	44.998194
"362770"	487.135801	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+HCOOH-H"	44.998201
"346650"	501.151451	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+Hac-H"	59.013851
"1494748"	280.082651	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Hac-H"	59.013851
"959378"	288.048951	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-H+NaCOOH"	66.980151
"111324"	256.038202	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+2Cl"	69.938804
"551978"	366.572602	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+2Cl"	69.938804
"1021458"	145.503802	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2Cl"	69.938804
"1241442"	299.987685	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Br"	78.918885
"1304283"	302.043672	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Cl+HCOOH"	80.974872
"1320182"	324.025629	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Cl+NaCOOH"	102.956829
"911359"	334.054386	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M-H+CF3COOH"	112.985586
"1288478"	370.031064	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Cl+CF3COOH"	148.962264
"1367203"	186.056124	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H-2H2O"	-35.012676
"1382960"	204.0661	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H-H2O"	-17.0027
"282964"	443.144876	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+H"	1.007276
"680100"	664.213676	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+H"	1.007276
"1355722"	222.076076	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H"	1.007276
"128245"	222.076076	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+2H"	2.014552
"566709"	332.610476	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+2H"	2.014552
"1040979"	111.541676	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2H"	2.014552
"207423"	148.386476	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+3H"	3.021828
"645036"	222.076076	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+3H"	3.021828
"1162998"	74.696876	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+3H"	3.021828
"425098"	460.171423	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+NH4"	18.033823
"785767"	681.240223	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+NH4"	18.033823
"1682426"	239.102623	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+NH4"	18.033823
"330460"	230.5893495	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+H+NH4"	19.041099
"730418"	341.1237495	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+H+NH4"	19.041099
"1477550"	120.0549495	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H+NH4"	19.041099
"397451"	465.126818	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+Na"	22.989218
"755530"	686.195618	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+Na"	22.989218
"1605452"	244.058018	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Na"	22.989218
"326430"	233.067047	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+H+Na"	23.996494
"717757"	343.601447	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+H+Na"	23.996494
"1470485"	122.532647	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H+Na"	23.996494
"1059356"	82.02419	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2H+Na"	25.00377
"1268693"	254.102286	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+CH3OH+H"	33.033486
"383986"	481.100758	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+K"	38.963158
"746071"	702.169558	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+K"	38.963158
"1549235"	260.031958	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+K"	38.963158
"308595"	241.054017	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+H+K"	39.970434
"697735"	351.588417	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+H+K"	39.970434
"1458482"	130.519617	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H+K"	39.970434
"246717"	484.171426	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+ACN+H"	42.033826
"1221610"	263.102626	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+ACN+H"	42.033826
"1202214"	132.054951	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+ACN+2H"	43.041102
"197273"	487.10876	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+2Na-H"	44.97116
"640115"	708.17756	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+2Na-H"	44.97116
"1138150"	266.03996	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2Na-H"	44.97116
"182534"	244.058018	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+2Na"	45.978436
"619909"	354.592418	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+2Na"	45.978436
"1119402"	133.523618	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2Na"	45.978436
"1399765"	89.351504	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H+2Na"	46.985712
"1430544"	268.081546	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H+HCOOH"	47.012746
"220481"	249.09104	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+3H2O+2H"	56.04448
"1509153"	282.13359	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+IsoProp+H"	61.06479
"412490"	252.044988	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+Na+K"	61.952376
"772030"	362.579388	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+Na+K"	61.952376
"1666900"	141.510588	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Na+K"	61.952376
"251431"	506.153368	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+ACN+Na"	64.015768
"1226495"	285.084568	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+ACN+Na"	64.015768
"1713513"	285.108093	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+NH4+HCOOH"	64.039293
"1179027"	96.678818	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+3Na"	68.967654
"1652452"	290.063488	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Na+HCOOH"	68.994688
"159675"	519.05664	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+2K-H"	76.91904
"604712"	740.12544	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+2K-H"	76.91904
"1089223"	297.98784	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2K-H"	76.91904
"149321"	260.031958	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"2M+2K"	77.926316
"589975"	370.566358	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"3M+2K"	77.926316
"1080688"	149.497558	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2K"	77.926316
"1113167"	300.002392	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2K+H"	78.933592
"1349431"	300.090007	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+DMSO+H"	79.021207
"1016992"	304.129176	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2ACN+H"	83.060376
"1534755"	305.122808	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+IsoProp+Na+H"	84.054008
"999383"	152.568226	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+2ACN+2H"	84.067652
"1600447"	306.037428	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+K+HCOOH"	84.968628
"1418452"	336.068938	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+H+CF3COOH"	115.000138
"1150197"	173.081501	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+3ACN+2H"	125.094202
"1701571"	353.095485	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+NH4+CF3COOH"	132.026685
"1639408"	358.05088	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+Na+CF3COOH"	136.98208
"1571411"	374.02482	"C05657"	"6-Hydroxyindolelactate"	"C11H11NO4"	"221.0688"	"M+K+CF3COOH"	152.95602
"815269"	133.0528	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M"	0
"986615"	114.03441	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-H2O-H"	-19.01839
"78400"	87.6945906666667	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M-3H"	-3.021828
"518500"	132.045524	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M-3H"	-3.021828
"894042"	43.3436573333333	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-3H"	-3.021828
"12617"	132.045524	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M-2H"	-2.014552
"450354"	198.571924	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M-2H"	-2.014552
"828154"	65.519124	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-2H"	-2.014552
"80493"	265.098324	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M-H"	-1.007276
"521147"	398.151124	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M-H"	-1.007276
"898950"	132.045524	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-H"	-1.007276
"52237"	282.124871	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M-2H+NH4"	16.019271
"491796"	415.177671	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M-2H+NH4"	16.019271
"864979"	149.072071	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-2H+NH4"	16.019271
"33489"	287.080266	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M-2H+Na"	20.974666
"478151"	420.133066	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M-2H+Na"	20.974666
"850610"	154.027466	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-2H+Na"	20.974666
"1621118"	154.027466	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Na-2H"	20.974666
"96551"	150.033863	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M-H+Cl"	33.962126
"538302"	216.560263	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M-H+Cl"	33.962126
"929994"	83.507463	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-H+Cl"	33.962126
"270739"	301.075002	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+Cl"	34.969402
"661211"	434.127802	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+Cl"	34.969402
"1274589"	168.022202	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Cl"	34.969402
"16044"	303.054206	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M-2H+K"	36.948606
"456217"	436.107006	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M-2H+K"	36.948606
"833291"	170.001406	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-2H+K"	36.948606
"1556536"	170.001406	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+K-2H"	36.948606
"948310"	178.050994	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-H+HCOOH"	44.998194
"366526"	311.103801	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+HCOOH-H"	44.998201
"346397"	325.119451	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+Hac-H"	59.013851
"1492918"	192.066651	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Hac-H"	59.013851
"959852"	200.032951	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-H+NaCOOH"	66.980151
"113500"	168.022202	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+2Cl"	69.938804
"551723"	234.548602	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+2Cl"	69.938804
"1023318"	101.495802	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2Cl"	69.938804
"1243259"	211.971685	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Br"	78.918885
"1304288"	214.027672	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Cl+HCOOH"	80.974872
"1319995"	236.009629	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Cl+NaCOOH"	102.956829
"911955"	246.038386	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M-H+CF3COOH"	112.985586
"1288862"	282.015064	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Cl+CF3COOH"	148.962264
"1368169"	98.040124	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H-2H2O"	-35.012676
"1382951"	116.0501	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H-H2O"	-17.0027
"283768"	267.112876	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+H"	1.007276
"678389"	400.165676	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+H"	1.007276
"1355834"	134.060076	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H"	1.007276
"129814"	134.060076	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+2H"	2.014552
"569375"	200.586476	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+2H"	2.014552
"1044736"	67.533676	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2H"	2.014552
"211545"	89.7091426666667	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+3H"	3.021828
"648916"	134.060076	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+3H"	3.021828
"1164854"	45.3582093333333	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+3H"	3.021828
"430315"	284.139423	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+NH4"	18.033823
"793497"	417.192223	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+NH4"	18.033823
"1684359"	151.086623	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+NH4"	18.033823
"334825"	142.5733495	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+H+NH4"	19.041099
"728340"	209.0997495	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+H+NH4"	19.041099
"1479974"	76.0469495	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H+NH4"	19.041099
"397562"	289.094818	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+Na"	22.989218
"758556"	422.147618	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+Na"	22.989218
"1608842"	156.042018	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Na"	22.989218
"327269"	145.051047	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+H+Na"	23.996494
"719690"	211.577447	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+H+Na"	23.996494
"1470595"	78.524647	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H+Na"	23.996494
"1059465"	52.6855233333333	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2H+Na"	25.00377
"1268803"	166.086286	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+CH3OH+H"	33.033486
"383003"	305.068758	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+K"	38.963158
"746181"	438.121558	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+K"	38.963158
"1552262"	172.015958	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+K"	38.963158
"311624"	153.038017	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+H+K"	39.970434
"704408"	219.564417	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+H+K"	39.970434
"1457136"	86.511617	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H+K"	39.970434
"250108"	308.139426	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+ACN+H"	42.033826
"1221721"	175.086626	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+ACN+H"	42.033826
"1204511"	88.046951	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+ACN+2H"	43.041102
"199936"	311.07676	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+2Na-H"	44.97116
"640954"	444.12956	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+2Na-H"	44.97116
"1140447"	178.02396	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2Na-H"	44.97116
"180458"	156.042018	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+2Na"	45.978436
"621476"	222.568418	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+2Na"	45.978436
"1118419"	89.515618	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2Na"	45.978436
"1403034"	60.0128373333333	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H+2Na"	46.985712
"1430125"	180.065546	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H+HCOOH"	47.012746
"220075"	161.07504	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+3H2O+2H"	56.04448
"1509144"	194.11759	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+IsoProp+H"	61.06479
"413330"	164.028988	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+Na+K"	61.952376
"778701"	230.555388	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+Na+K"	61.952376
"1669564"	97.502588	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Na+K"	61.952376
"257180"	330.121368	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+ACN+Na"	64.015768
"1232075"	197.068568	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+ACN+Na"	64.015768
"1715857"	197.092093	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+NH4+HCOOH"	64.039293
"1179504"	67.3401513333333	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+3Na"	68.967654
"1652562"	202.047488	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Na+HCOOH"	68.994688
"158691"	343.02464	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+2K-H"	76.91904
"609195"	476.07744	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+2K-H"	76.91904
"1091520"	209.97184	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2K-H"	76.91904
"149431"	172.015958	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"2M+2K"	77.926316
"590085"	238.542358	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"3M+2K"	77.926316
"1081162"	105.489558	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2K"	77.926316
"1111091"	211.986392	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2K+H"	78.933592
"1349662"	212.074007	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+DMSO+H"	79.021207
"1011629"	216.113176	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2ACN+H"	83.060376
"1535229"	217.106808	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+IsoProp+Na+H"	84.054008
"999493"	108.560226	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+2ACN+2H"	84.067652
"1601649"	218.021428	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+K+HCOOH"	84.968628
"1416376"	248.052938	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+H+CF3COOH"	115.000138
"1152494"	129.073501	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+3ACN+2H"	125.094202
"1702774"	265.079485	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+NH4+CF3COOH"	132.026685
"1638424"	270.03488	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+Na+CF3COOH"	136.98208
"1571885"	286.00882	"C05658"	"Indoxyl;1H-Indol-3-ol"	"C8H7NO"	"133.0528"	"M+K+CF3COOH"	152.95602
"809912"	190.1106	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M"	0
"986724"	171.09221	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-H2O-H"	-19.01839
"77156"	125.733124	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M-3H"	-3.021828
"516715"	189.103324	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M-3H"	-3.021828
"890142"	62.362924	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-3H"	-3.021828
"8717"	189.103324	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M-2H"	-2.014552
"447183"	284.158624	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M-2H"	-2.014552
"821704"	94.048024	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-2H"	-2.014552
"80603"	379.213924	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M-H"	-1.007276
"519068"	569.324524	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M-H"	-1.007276
"896137"	189.103324	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-H"	-1.007276
"51254"	396.240471	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M-2H+NH4"	16.019271
"491906"	586.351071	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M-2H+NH4"	16.019271
"864967"	206.129871	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-2H+NH4"	16.019271
"32747"	401.195866	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M-2H+Na"	20.974666
"478261"	591.306466	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M-2H+Na"	20.974666
"848524"	211.085266	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-2H+Na"	20.974666
"1621229"	211.085266	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Na-2H"	20.974666
"95810"	207.091663	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M-H+Cl"	33.962126
"538412"	302.146963	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M-H+Cl"	33.962126
"929739"	112.036363	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-H+Cl"	33.962126
"270481"	415.190602	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+Cl"	34.969402
"660428"	605.301202	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+Cl"	34.969402
"1274092"	225.080002	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Cl"	34.969402
"15951"	417.169806	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M-2H+K"	36.948606
"455918"	607.280406	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M-2H+K"	36.948606
"834252"	227.059206	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-2H+K"	36.948606
"1555876"	227.059206	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+K-2H"	36.948606
"947692"	235.108794	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-H+HCOOH"	44.998194
"367365"	425.219401	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+HCOOH-H"	44.998201
"346506"	439.235051	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+Hac-H"	59.013851
"1494605"	249.124451	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Hac-H"	59.013851
"960325"	257.090751	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-H+NaCOOH"	66.980151
"112881"	225.080002	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+2Cl"	69.938804
"551714"	320.135302	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+2Cl"	69.938804
"1023428"	130.024702	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2Cl"	69.938804
"1242640"	269.029485	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Br"	78.918885
"1304805"	271.085472	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Cl+HCOOH"	80.974872
"1320076"	293.067429	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Cl+NaCOOH"	102.956829
"912189"	303.096186	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M-H+CF3COOH"	112.985586
"1288933"	339.072864	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Cl+CF3COOH"	148.962264
"1368158"	155.097924	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H-2H2O"	-35.012676
"1383834"	173.1079	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H-H2O"	-17.0027
"283108"	381.228476	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+H"	1.007276
"676311"	571.339076	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+H"	1.007276
"1354849"	191.117876	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H"	1.007276
"125800"	191.117876	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+2H"	2.014552
"566447"	286.173176	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+2H"	2.014552
"1043753"	96.062576	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2H"	2.014552
"208375"	127.747676	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+3H"	3.021828
"649026"	191.117876	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+3H"	3.021828
"1163261"	64.377476	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+3H"	3.021828
"431518"	398.255023	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+NH4"	18.033823
"792514"	588.365623	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+NH4"	18.033823
"1685563"	208.144423	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+NH4"	18.033823
"338216"	199.6311495	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+H+NH4"	19.041099
"727357"	294.6864495	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+H+NH4"	19.041099
"1477161"	104.5758495	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H+NH4"	19.041099
"397674"	403.210418	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+Na"	22.989218
"757575"	593.321018	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+Na"	22.989218
"1605672"	213.099818	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Na"	22.989218
"321182"	202.108847	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+H+Na"	23.996494
"716884"	297.164147	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+H+Na"	23.996494
"1468520"	107.053547	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H+Na"	23.996494
"1057389"	71.70479	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2H+Na"	25.00377
"1262711"	223.144086	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+CH3OH+H"	33.033486
"383112"	419.184358	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+K"	38.963158
"744107"	609.294958	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+K"	38.963158
"1552733"	229.073758	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+K"	38.963158
"312096"	210.095817	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+H+K"	39.970434
"705611"	305.151117	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+H+K"	39.970434
"1459432"	115.040517	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H+K"	39.970434
"248760"	422.255026	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+ACN+H"	42.033826
"1220738"	232.144426	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+ACN+H"	42.033826
"1203528"	116.575851	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+ACN+2H"	43.041102
"199680"	425.19236	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+2Na-H"	44.97116
"640334"	615.30296	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+2Na-H"	44.97116
"1138370"	235.08176	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2Na-H"	44.97116
"180568"	213.099818	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+2Na"	45.978436
"621586"	308.155118	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+2Na"	45.978436
"1123633"	118.044518	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2Na"	45.978436
"1400836"	79.032104	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H+2Na"	46.985712
"1430278"	237.123346	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H+HCOOH"	47.012746
"224959"	218.13284	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+3H2O+2H"	56.04448
"1508890"	251.17539	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+IsoProp+H"	61.06479
"413440"	221.086788	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+Na+K"	61.952376
"776624"	316.142088	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+Na+K"	61.952376
"1670767"	126.031488	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Na+K"	61.952376
"257290"	444.236968	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+ACN+Na"	64.015768
"1228905"	254.126368	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+ACN+Na"	64.015768
"1716697"	254.149893	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+NH4+HCOOH"	64.039293
"1178512"	86.359418	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+3Na"	68.967654
"1651215"	259.105288	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Na+HCOOH"	68.994688
"158803"	457.14024	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+2K-H"	76.91904
"609305"	647.25084	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+2K-H"	76.91904
"1091630"	267.02964	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2K-H"	76.91904
"148448"	229.073758	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"2M+2K"	77.926316
"589102"	324.129058	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"3M+2K"	77.926316
"1081272"	134.018458	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2K"	77.926316
"1112294"	269.044192	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2K+H"	78.933592
"1349772"	269.131807	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+DMSO+H"	79.021207
"1018301"	273.170976	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2ACN+H"	83.060376
"1534246"	274.164608	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+IsoProp+Na+H"	84.054008
"1001789"	137.089126	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+2ACN+2H"	84.067652
"1598478"	275.079228	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+K+HCOOH"	84.968628
"1420859"	305.110738	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+H+CF3COOH"	115.000138
"1152240"	157.602401	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+3ACN+2H"	125.094202
"1701791"	322.137285	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+NH4+CF3COOH"	132.026685
"1637441"	327.09268	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+Na+CF3COOH"	136.98208
"1572359"	343.06662	"C05659"	"5-Methoxytryptamine;5-MeOT"	"C11H14N2O"	"190.1106"	"M+K+CF3COOH"	152.95602
"811115"	205.0739	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M"	0
"986834"	186.05551	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-H2O-H"	-19.01839
"77510"	135.708657333333	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M-3H"	-3.021828
"515731"	204.066624	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M-3H"	-3.021828
"890252"	67.3506906666667	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-3H"	-3.021828
"6639"	204.066624	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M-2H"	-2.014552
"447294"	306.603574	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M-2H"	-2.014552
"821814"	101.529674	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-2H"	-2.014552
"83993"	409.140524	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M-H"	-1.007276
"522460"	614.214424	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M-H"	-1.007276
"895890"	204.066624	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-H"	-1.007276
"51364"	426.167071	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M-2H+NH4"	16.019271
"497119"	631.240971	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M-2H+NH4"	16.019271
"869818"	221.093171	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-2H+NH4"	16.019271
"32494"	431.122466	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M-2H+Na"	20.974666
"478371"	636.196366	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M-2H+Na"	20.974666
"850707"	226.048566	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-2H+Na"	20.974666
"1620245"	226.048566	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Na-2H"	20.974666
"97866"	222.054963	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M-H+Cl"	33.962126
"534876"	324.591913	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M-H+Cl"	33.962126
"927250"	119.518013	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-H+Cl"	33.962126
"269133"	445.117202	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+Cl"	34.969402
"660104"	650.191102	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+Cl"	34.969402
"1274324"	240.043302	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Cl"	34.969402
"15816"	447.096406	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M-2H+K"	36.948606
"455852"	652.170306	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M-2H+K"	36.948606
"833228"	242.022506	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-2H+K"	36.948606
"1555985"	242.022506	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+K-2H"	36.948606
"946709"	250.072094	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-H+HCOOH"	44.998194
"366018"	455.146001	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+HCOOH-H"	44.998201
"346294"	469.161651	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+Hac-H"	59.013851
"1496546"	264.087751	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Hac-H"	59.013851
"961169"	272.054051	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-H+NaCOOH"	66.980151
"111534"	240.043302	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+2Cl"	69.938804
"550731"	342.580252	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+2Cl"	69.938804
"1025724"	137.506352	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2Cl"	69.938804
"1244573"	283.992785	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Br"	78.918885
"1304429"	286.048772	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Cl+HCOOH"	80.974872
"1320191"	308.030729	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Cl+NaCOOH"	102.956829
"911415"	318.059486	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M-H+CF3COOH"	112.985586
"1288484"	354.036164	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Cl+CF3COOH"	148.962264
"1367533"	170.061224	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H-2H2O"	-35.012676
"1386132"	188.0712	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H-H2O"	-17.0027
"285089"	411.155076	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+H"	1.007276
"677877"	616.228976	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+H"	1.007276
"1351908"	206.081176	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H"	1.007276
"126630"	206.081176	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+2H"	2.014552
"567408"	308.618126	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+2H"	2.014552
"1043863"	103.544226	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2H"	2.014552
"209578"	137.723209333333	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+3H"	3.021828
"650230"	206.081176	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+3H"	3.021828
"1163980"	69.3652426666667	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+3H"	3.021828
"426161"	428.181623	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+NH4"	18.033823
"787156"	633.255523	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+NH4"	18.033823
"1682393"	223.107723	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+NH4"	18.033823
"330264"	214.5944495	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+H+NH4"	19.041099
"723255"	317.1313995	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+H+NH4"	19.041099
"1477437"	112.0574995	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H+NH4"	19.041099
"398878"	433.137018	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+Na"	22.989218
"758778"	638.210918	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+Na"	22.989218
"1607969"	228.063118	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Na"	22.989218
"323479"	217.072147	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+H+Na"	23.996494
"713713"	319.609097	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+H+Na"	23.996494
"1471910"	114.535197	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H+Na"	23.996494
"1060778"	76.6925566666667	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2H+Na"	25.00377
"1265735"	238.107386	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+CH3OH+H"	33.033486
"382129"	449.110958	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+K"	38.963158
"747495"	654.184858	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+K"	38.963158
"1552478"	244.037058	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+K"	38.963158
"310020"	225.059117	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+H+K"	39.970434
"700252"	327.596067	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+H+K"	39.970434
"1458446"	122.522167	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H+K"	39.970434
"248870"	452.181626	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+ACN+H"	42.033826
"1221944"	247.107726	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+ACN+H"	42.033826
"1204733"	124.057501	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+ACN+2H"	43.041102
"200159"	455.11896	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+2Na-H"	44.97116
"638257"	660.19286	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+2Na-H"	44.97116
"1135566"	250.04506	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2Na-H"	44.97116
"182867"	228.063118	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+2Na"	45.978436
"620603"	330.600068	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+2Na"	45.978436
"1120463"	125.526168	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2Na"	45.978436
"1399001"	84.0198706666667	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H+2Na"	46.985712
"1430263"	252.086646	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H+HCOOH"	47.012746
"223612"	233.09614	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+3H2O+2H"	56.04448
"1509000"	266.13869	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+IsoProp+H"	61.06479
"408727"	236.050088	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+Na+K"	61.952376
"776734"	338.587038	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+Na+K"	61.952376
"1670877"	133.513138	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Na+K"	61.952376
"256307"	474.163568	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+ACN+Na"	64.015768
"1231201"	269.089668	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+ACN+Na"	64.015768
"1717900"	269.113193	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+NH4+HCOOH"	64.039293
"1179973"	91.3471846666667	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+3Na"	68.967654
"1652054"	274.068588	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Na+HCOOH"	68.994688
"158548"	487.06684	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+2K-H"	76.91904
"606136"	692.14074	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+2K-H"	76.91904
"1097210"	281.99294	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2K-H"	76.91904
"154998"	244.037058	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"2M+2K"	77.926316
"589212"	346.574008	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"3M+2K"	77.926316
"1080289"	141.500108	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2K"	77.926316
"1110217"	284.007492	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2K+H"	78.933592
"1348789"	284.095107	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+DMSO+H"	79.021207
"1015131"	288.134276	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2ACN+H"	83.060376
"1532169"	289.127908	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+IsoProp+Na+H"	84.054008
"997525"	144.570776	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+2ACN+2H"	84.067652
"1594213"	290.042528	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+K+HCOOH"	84.968628
"1422063"	320.074038	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+H+CF3COOH"	115.000138
"1154536"	165.084051	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+3ACN+2H"	125.094202
"1698621"	337.100585	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+NH4+CF3COOH"	132.026685
"1637551"	342.05598	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+Na+CF3COOH"	136.98208
"1572226"	358.02992	"C05660"	"5-Methoxyindoleacetate;5-Methoxyindoleacetic acid"	"C11H11NO3"	"205.0739"	"M+K+CF3COOH"	152.95602
"811225"	206.0427	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M"	0
"986944"	187.02431	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-H2O-H"	-19.01839
"77863"	136.354524	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M-3H"	-3.021828
"518151"	205.035424	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M-3H"	-3.021828
"894737"	67.673624	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-3H"	-3.021828
"12582"	205.035424	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M-2H"	-2.014552
"450684"	308.056774	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M-2H"	-2.014552
"825204"	102.014074	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-2H"	-2.014552
"85195"	411.078124	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M-H"	-1.007276
"520383"	617.120824	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M-H"	-1.007276
"895996"	205.035424	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-H"	-1.007276
"54753"	428.104671	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M-2H+NH4"	16.019271
"497593"	634.147371	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M-2H+NH4"	16.019271
"872114"	222.061971	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-2H+NH4"	16.019271
"33455"	433.060066	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M-2H+Na"	20.974666
"480668"	639.102766	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M-2H+Na"	20.974666
"855191"	227.017366	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-2H+Na"	20.974666
"1623635"	227.017366	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Na-2H"	20.974666
"96882"	223.023763	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M-H+Cl"	33.962126
"535350"	326.045113	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M-H+Cl"	33.962126
"928134"	120.002413	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-H+Cl"	33.962126
"269971"	447.054802	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+Cl"	34.969402
"660569"	653.097502	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+Cl"	34.969402
"1273455"	241.012102	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Cl"	34.969402
"15764"	449.034006	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M-2H+K"	36.948606
"455976"	655.076706	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M-2H+K"	36.948606
"833860"	242.991306	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-2H+K"	36.948606
"1557836"	242.991306	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+K-2H"	36.948606
"947547"	251.040894	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-H+HCOOH"	44.998194
"366129"	457.083601	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+HCOOH-H"	44.998201
"348549"	471.099251	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+Hac-H"	59.013851
"1496654"	265.056551	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Hac-H"	59.013851
"963469"	273.022851	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-H+NaCOOH"	66.980151
"115657"	241.012102	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+2Cl"	69.938804
"553029"	344.033452	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+2Cl"	69.938804
"1022309"	137.990752	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2Cl"	69.938804
"1243225"	284.961585	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Br"	78.918885
"1306043"	287.017572	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Cl+HCOOH"	80.974872
"1321356"	308.999529	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Cl+NaCOOH"	102.956829
"913141"	319.028286	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M-H+CF3COOH"	112.985586
"1289122"	355.004964	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Cl+CF3COOH"	148.962264
"1368010"	171.030024	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H-2H2O"	-35.012676
"1388794"	189.04	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H-H2O"	-17.0027
"289574"	413.092676	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+H"	1.007276
"683090"	619.135376	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+H"	1.007276
"1357253"	207.049976	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H"	1.007276
"125969"	207.049976	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+2H"	2.014552
"566788"	310.071326	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+2H"	2.014552
"1041785"	104.028626	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2H"	2.014552
"204498"	138.369076	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+3H"	3.021828
"647059"	207.049976	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+3H"	3.021828
"1167372"	69.688176	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+3H"	3.021828
"427365"	430.119223	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+NH4"	18.033823
"789453"	636.161923	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+NH4"	18.033823
"1685784"	224.076523	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+NH4"	18.033823
"331146"	215.5632495	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+H+NH4"	19.041099
"726484"	318.5845995	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+H+NH4"	19.041099
"1480305"	112.5418995	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H+NH4"	19.041099
"401174"	435.074618	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+Na"	22.989218
"759982"	641.117318	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+Na"	22.989218
"1612453"	229.031918	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Na"	22.989218
"323589"	218.040947	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+H+Na"	23.996494
"713823"	321.062297	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+H+Na"	23.996494
"1472019"	115.019597	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H+Na"	23.996494
"1060888"	77.01549	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2H+Na"	25.00377
"1265845"	239.076186	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+CH3OH+H"	33.033486
"385519"	451.048558	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+K"	38.963158
"746512"	657.091258	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+K"	38.963158
"1552952"	245.005858	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+K"	38.963158
"306847"	226.027917	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+H+K"	39.970434
"699268"	329.049267	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+H+K"	39.970434
"1457462"	123.006567	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H+K"	39.970434
"247157"	454.119226	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+ACN+H"	42.033826
"1219866"	248.076526	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+ACN+H"	42.033826
"1205572"	124.541901	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+ACN+2H"	43.041102
"199540"	457.05656	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+2Na-H"	44.97116
"640554"	663.09926	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+2Na-H"	44.97116
"1140779"	251.01386	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2Na-H"	44.97116
"184070"	229.031918	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+2Na"	45.978436
"620349"	332.053268	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+2Na"	45.978436
"1123853"	126.010568	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2Na"	45.978436
"1405188"	84.342804	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H+2Na"	46.985712
"1440585"	253.055446	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H+HCOOH"	47.012746
"228096"	234.06494	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+3H2O+2H"	56.04448
"1513242"	267.10749	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+IsoProp+H"	61.06479
"411108"	237.018888	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+Na+K"	61.952376
"775751"	340.040238	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+Na+K"	61.952376
"1668800"	133.997538	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Na+K"	61.952376
"256414"	476.101168	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+ACN+Na"	64.015768
"1228031"	270.058468	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+ACN+Na"	64.015768
"1714729"	270.081993	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+NH4+HCOOH"	64.039293
"1180447"	91.670118	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+3Na"	68.967654
"1652892"	275.037388	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Na+HCOOH"	68.994688
"160117"	489.00444	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+2K-H"	76.91904
"606246"	695.04714	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+2K-H"	76.91904
"1095134"	282.96174	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2K-H"	76.91904
"155229"	245.005858	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"2M+2K"	77.926316
"583855"	348.027208	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"3M+2K"	77.926316
"1077117"	141.984508	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2K"	77.926316
"1107047"	284.976292	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2K+H"	78.933592
"1346712"	285.063907	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+DMSO+H"	79.021207
"1014148"	289.103076	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2ACN+H"	83.060376
"1533368"	290.096708	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+IsoProp+Na+H"	84.054008
"998721"	145.055176	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+2ACN+2H"	84.067652
"1594323"	291.011328	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+K+HCOOH"	84.968628
"1423264"	321.042838	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+H+CF3COOH"	115.000138
"1151367"	165.568451	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+3ACN+2H"	125.094202
"1697271"	338.069385	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+NH4+CF3COOH"	132.026685
"1634745"	343.02478	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+Na+CF3COOH"	136.98208
"1572214"	358.99872	"C05662"	"Homoisocitrate;3-Carboxy-2-hydroxyadipate;(-)-1-Hydroxy-124-butanetricarboxylate;(1R2S)-1-Hydroxybutane-124-tricarboxylate;(-)-threo-Homoisocitrate"	"C7H10O7"	"206.0427"	"M+K+CF3COOH"	152.95602
"813522"	205.0375	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M"	0
"983774"	186.01911	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-H2O-H"	-19.01839
"77487"	135.684390666667	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M-3H"	-3.021828
"515953"	204.030224	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M-3H"	-3.021828
"893389"	67.3385573333333	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-3H"	-3.021828
"9047"	204.030224	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M-2H"	-2.014552
"449701"	306.548974	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M-2H"	-2.014552
"829689"	101.511474	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-2H"	-2.014552
"84212"	409.067724	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M-H"	-1.007276
"520127"	614.105224	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M-H"	-1.007276
"897324"	204.030224	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-H"	-1.007276
"54864"	426.094271	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M-2H+NH4"	16.019271
"496610"	631.131771	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M-2H+NH4"	16.019271
"874411"	221.056771	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-2H+NH4"	16.019271
"34658"	431.049666	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M-2H+Na"	20.974666
"479686"	636.087166	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M-2H+Na"	20.974666
"854207"	226.012166	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-2H+Na"	20.974666
"1622652"	226.012166	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Na-2H"	20.974666
"95899"	222.018563	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M-H+Cl"	33.962126
"535216"	324.537313	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M-H+Cl"	33.962126
"928244"	119.499813	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-H+Cl"	33.962126
"267649"	445.044402	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+Cl"	34.969402
"660558"	650.081902	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+Cl"	34.969402
"1273117"	240.006902	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Cl"	34.969402
"16723"	447.023606	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M-2H+K"	36.948606
"456650"	652.061106	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M-2H+K"	36.948606
"833968"	241.986106	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-2H+K"	36.948606
"1557217"	241.986106	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+K-2H"	36.948606
"946929"	250.035694	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-H+HCOOH"	44.998194
"369518"	455.073201	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+HCOOH-H"	44.998201
"347567"	469.088851	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+Hac-H"	59.013851
"1496765"	264.051351	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Hac-H"	59.013851
"965036"	272.017651	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-H+NaCOOH"	66.980151
"115766"	240.006902	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+2Cl"	69.938804
"555327"	342.525652	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+2Cl"	69.938804
"1022786"	137.488152	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2Cl"	69.938804
"1244794"	283.956385	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Br"	78.918885
"1306884"	286.012372	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Cl+HCOOH"	80.974872
"1321101"	307.994329	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Cl+NaCOOH"	102.956829
"912522"	318.023086	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M-H+CF3COOH"	112.985586
"1289232"	353.999764	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Cl+CF3COOH"	148.962264
"1367754"	170.024824	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H-2H2O"	-35.012676
"1388904"	188.0348	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H-H2O"	-17.0027
"289684"	411.082276	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+H"	1.007276
"681013"	616.119776	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+H"	1.007276
"1358456"	206.044776	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H"	1.007276
"126728"	206.044776	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+2H"	2.014552
"566656"	308.563526	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+2H"	2.014552
"1040802"	103.526026	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2H"	2.014552
"206516"	137.698942666667	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+3H"	3.021828
"652637"	206.044776	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+3H"	3.021828
"1164323"	69.3531093333333	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+3H"	3.021828
"429662"	428.108823	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+NH4"	18.033823
"787377"	633.146323	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+NH4"	18.033823
"1686988"	223.071323	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+NH4"	18.033823
"333080"	214.5580495	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+H+NH4"	19.041099
"725865"	317.0767995	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+H+NH4"	19.041099
"1484789"	112.0392995	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H+NH4"	19.041099
"398002"	433.064218	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+Na"	22.989218
"759365"	638.101718	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+Na"	22.989218
"1612566"	228.026718	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Na"	22.989218
"317138"	217.035747	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+H+Na"	23.996494
"712840"	319.554497	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+H+Na"	23.996494
"1469942"	114.516997	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H+Na"	23.996494
"1059905"	76.6804233333333	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2H+Na"	25.00377
"1264862"	238.070986	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+CH3OH+H"	33.033486
"383443"	449.038158	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+K"	38.963158
"744434"	654.075658	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+K"	38.963158
"1552698"	244.000658	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+K"	38.963158
"311329"	225.022717	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+H+K"	39.970434
"702657"	327.541467	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+H+K"	39.970434
"1454291"	122.503967	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H+K"	39.970434
"245080"	452.108826	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+ACN+H"	42.033826
"1218882"	247.071326	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+ACN+H"	42.033826
"1202766"	124.039301	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+ACN+2H"	43.041102
"198920"	455.04616	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+2Na-H"	44.97116
"640300"	660.08366	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+2Na-H"	44.97116
"1139066"	250.00866	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2Na-H"	44.97116
"185274"	228.026718	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+2Na"	45.978436
"624470"	330.545468	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+2Na"	45.978436
"1127245"	125.507968	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2Na"	45.978436
"1403112"	84.0077373333333	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H+2Na"	46.985712
"1437414"	252.050246	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H+HCOOH"	47.012746
"222739"	233.05974	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+3H2O+2H"	56.04448
"1511895"	266.10229	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+IsoProp+H"	61.06479
"410125"	236.013688	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+Na+K"	61.952376
"774768"	338.532438	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+Na+K"	61.952376
"1666235"	133.494938	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Na+K"	61.952376
"252027"	474.090768	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+ACN+Na"	64.015768
"1225828"	269.053268	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+ACN+Na"	64.015768
"1713745"	269.076793	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+NH4+HCOOH"	64.039293
"1179455"	91.3350513333333	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+3Na"	68.967654
"1650561"	274.032188	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Na+HCOOH"	68.994688
"157672"	486.99404	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+2K-H"	76.91904
"603076"	692.03154	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+2K-H"	76.91904
"1093421"	281.95654	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2K-H"	76.91904
"150966"	244.000658	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"2M+2K"	77.926316
"583965"	346.519408	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"3M+2K"	77.926316
"1075041"	141.481908	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2K"	77.926316
"1107157"	283.971092	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2K+H"	78.933592
"1346458"	284.058707	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+DMSO+H"	79.021207
"1015352"	288.097876	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2ACN+H"	83.060376
"1530197"	289.091508	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+IsoProp+Na+H"	84.054008
"995551"	144.552576	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+2ACN+2H"	84.067652
"1594433"	290.006128	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+K+HCOOH"	84.968628
"1424467"	320.037638	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+H+CF3COOH"	115.000138
"1154756"	165.065851	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+3ACN+2H"	125.094202
"1697745"	337.064185	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+NH4+CF3COOH"	132.026685
"1634730"	342.01958	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+Na+CF3COOH"	136.98208
"1571473"	357.99352	"C05663"	"6-Hydroxykynurenate;6-Hydroxykynurenic acid;46-Dihydroxyquinaldic acid"	"C10H7NO4"	"205.0375"	"M+K+CF3COOH"	152.95602
"814728"	73.0528	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M"	0
"981699"	54.03441	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-H2O-H"	-19.01839
"66659"	47.6945906666667	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M-3H"	-3.021828
"514967"	72.045524	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M-3H"	-3.021828
"886207"	23.3436573333333	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-3H"	-3.021828
"6970"	72.045524	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M-2H"	-2.014552
"447624"	108.571924	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M-2H"	-2.014552
"818867"	35.519124	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-2H"	-2.014552
"81046"	145.098324	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M-H"	-1.007276
"519509"	218.151124	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M-H"	-1.007276
"906065"	72.045524	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-H"	-1.007276
"57161"	162.124871	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M-2H+NH4"	16.019271
"487600"	235.177671	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M-2H+NH4"	16.019271
"866868"	89.072071	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-2H+NH4"	16.019271
"35862"	167.080266	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M-2H+Na"	20.974666
"475421"	240.133066	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M-2H+Na"	20.974666
"850069"	94.027466	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-2H+Na"	20.974666
"1626043"	94.027466	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Na-2H"	20.974666
"103664"	90.033863	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M-H+Cl"	33.962126
"535199"	126.560263	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M-H+Cl"	33.962126
"927866"	53.507463	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-H+Cl"	33.962126
"267877"	181.075002	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+Cl"	34.969402
"660541"	254.127802	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+Cl"	34.969402
"1274291"	108.022202	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Cl"	34.969402
"17575"	183.054206	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M-2H+K"	36.948606
"456394"	256.107006	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M-2H+K"	36.948606
"837490"	110.001406	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-2H+K"	36.948606
"1565719"	110.001406	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+K-2H"	36.948606
"953966"	118.050994	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-H+HCOOH"	44.998194
"369628"	191.103801	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+HCOOH-H"	44.998201
"350959"	205.119451	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+Hac-H"	59.013851
"1496875"	132.066651	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Hac-H"	59.013851
"960405"	140.032951	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-H+NaCOOH"	66.980151
"115876"	108.022202	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+2Cl"	69.938804
"551179"	144.548602	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+2Cl"	69.938804
"1023622"	71.495802	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2Cl"	69.938804
"1246369"	151.971685	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Br"	78.918885
"1310279"	154.027672	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Cl+HCOOH"	80.974872
"1326682"	176.009629	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Cl+NaCOOH"	102.956829
"913728"	186.038386	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M-H+CF3COOH"	112.985586
"1293720"	222.015064	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Cl+CF3COOH"	148.962264
"1375892"	38.040124	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H-2H2O"	-35.012676
"1395575"	56.0501	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H-H2O"	-17.0027
"286519"	147.112876	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+H"	1.007276
"677847"	220.165676	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+H"	1.007276
"1356381"	74.060076	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H"	1.007276
"131462"	74.060076	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+2H"	2.014552
"573208"	110.586476	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+2H"	2.014552
"1042007"	37.533676	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2H"	2.014552
"211001"	49.7091426666667	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+3H"	3.021828
"652747"	74.060076	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+3H"	3.021828
"1168690"	25.3582093333333	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+3H"	3.021828
"429773"	164.139423	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+NH4"	18.033823
"791862"	237.192223	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+NH4"	18.033823
"1686005"	91.086623	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+NH4"	18.033823
"337564"	82.5733495	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+H+NH4"	19.041099
"731079"	119.0997495	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+H+NH4"	19.041099
"1483807"	46.0469495	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H+NH4"	19.041099
"398113"	169.094818	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+Na"	22.989218
"759110"	242.147618	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+Na"	22.989218
"1607210"	96.042018	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Na"	22.989218
"324904"	85.051047	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+H+Na"	23.996494
"714047"	121.577447	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+H+Na"	23.996494
"1470053"	48.524647	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H+Na"	23.996494
"1056375"	32.6855233333333	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2H+Na"	25.00377
"1263887"	106.086286	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+CH3OH+H"	33.033486
"382460"	185.068758	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+K"	38.963158
"753306"	258.121558	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+K"	38.963158
"1552078"	112.015958	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+K"	38.963158
"311806"	93.038017	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+H+K"	39.970434
"706414"	129.564417	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+H+K"	39.970434
"1454401"	56.511617	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H+K"	39.970434
"249198"	188.139426	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+ACN+H"	42.033826
"1223732"	115.086626	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+ACN+H"	42.033826
"1205064"	58.046951	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+ACN+2H"	43.041102
"201213"	191.07676	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+2Na-H"	44.97116
"641867"	264.12956	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+2Na-H"	44.97116
"1140999"	118.02396	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2Na-H"	44.97116
"185383"	96.042018	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+2Na"	45.978436
"622761"	132.568418	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+2Na"	45.978436
"1125169"	59.515618	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2Na"	45.978436
"1408690"	40.0128373333333	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H+2Na"	46.985712
"1433154"	120.065546	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H+HCOOH"	47.012746
"226131"	101.07504	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+3H2O+2H"	56.04448
"1513101"	134.11759	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+IsoProp+H"	61.06479
"410604"	104.028988	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+Na+K"	61.952376
"775973"	140.555388	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+Na+K"	61.952376
"1666837"	67.502588	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Na+K"	61.952376
"254449"	210.121368	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+ACN+Na"	64.015768
"1226060"	137.068568	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+ACN+Na"	64.015768
"1715306"	137.092093	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+NH4+HCOOH"	64.039293
"1181751"	47.3401513333333	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+3Na"	68.967654
"1661136"	142.047488	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Na+HCOOH"	68.994688
"169092"	223.02464	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+2K-H"	76.91904
"606466"	296.07744	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+2K-H"	76.91904
"1094991"	149.97184	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2K-H"	76.91904
"153629"	112.015958	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"2M+2K"	77.926316
"592824"	148.542358	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"3M+2K"	77.926316
"1078432"	75.489558	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2K"	77.926316
"1107267"	151.986392	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2K+H"	78.933592
"1345839"	152.074007	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+DMSO+H"	79.021207
"1014369"	156.113176	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2ACN+H"	83.060376
"1530307"	157.106808	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+IsoProp+Na+H"	84.054008
"995661"	78.560226	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+2ACN+2H"	84.067652
"1594543"	158.021428	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+K+HCOOH"	84.968628
"1420204"	188.052938	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+H+CF3COOH"	115.000138
"1151586"	99.073501	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+3ACN+2H"	125.094202
"1697855"	205.079485	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+NH4+CF3COOH"	132.026685
"1636787"	210.03488	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+Na+CF3COOH"	136.98208
"1571707"	226.00882	"C05665"	"3-Aminopropanal;beta-Aminopropion aldehyde"	"C3H7NO"	"73.0528"	"M+K+CF3COOH"	152.95602
"811555"	839.1363	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M"	0
"978529"	820.11791	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H2O-H"	-19.01839
"65676"	558.416924	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-3H"	-3.021828
"511797"	838.129024	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-3H"	-3.021828
"883037"	278.704824	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-3H"	-3.021828
"5986"	838.129024	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H"	-2.014552
"447734"	1257.697174	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H"	-2.014552
"819340"	418.560874	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H"	-2.014552
"84436"	1677.265324	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-H"	-1.007276
"519378"	2516.401624	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-H"	-1.007276
"902895"	838.129024	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H"	-1.007276
"52896"	1694.291871	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H+NH4"	16.019271
"488323"	2533.428171	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H+NH4"	16.019271
"869164"	855.155571	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H+NH4"	16.019271
"34878"	1699.247266	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H+Na"	20.974666
"475531"	2538.383566	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H+Na"	20.974666
"850786"	860.110966	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H+Na"	20.974666
"1622873"	860.110966	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na-2H"	20.974666
"102681"	856.117363	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-H+Cl"	33.962126
"534701"	1275.685513	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-H+Cl"	33.962126
"927241"	436.549213	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+Cl"	33.962126
"267378"	1713.242002	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Cl"	34.969402
"660289"	2552.378302	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+Cl"	34.969402
"1276953"	874.105702	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl"	34.969402
"18049"	1715.221206	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M-2H+K"	36.948606
"456099"	2554.357506	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M-2H+K"	36.948606
"837236"	876.084906	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-2H+K"	36.948606
"1567651"	876.084906	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K-2H"	36.948606
"954440"	884.134494	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+HCOOH"	44.998194
"368645"	1723.270801	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+HCOOH-H"	44.998201
"349610"	1737.286451	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Hac-H"	59.013851
"1496985"	898.150151	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Hac-H"	59.013851
"960151"	906.116451	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+NaCOOH"	66.980151
"114891"	874.105702	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2Cl"	69.938804
"552627"	1293.673852	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2Cl"	69.938804
"1023611"	454.537552	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2Cl"	69.938804
"1244655"	918.055185	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Br"	78.918885
"1310389"	920.111172	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl+HCOOH"	80.974872
"1321687"	942.093129	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl+NaCOOH"	102.956829
"912744"	952.121886	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M-H+CF3COOH"	112.985586
"1290183"	988.098564	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Cl+CF3COOH"	148.962264
"1370533"	804.123624	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H-2H2O"	-35.012676
"1395685"	822.1336	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H-H2O"	-17.0027
"283833"	1679.279876	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H"	1.007276
"677957"	2518.416176	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H"	1.007276
"1356491"	840.143576	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H"	1.007276
"132665"	840.143576	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2H"	2.014552
"572224"	1259.711726	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2H"	2.014552
"1043210"	420.575426	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2H"	2.014552
"212204"	560.431476	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+3H"	3.021828
"650670"	840.143576	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+3H"	3.021828
"1173171"	280.719376	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+3H"	3.021828
"430977"	1696.306423	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+NH4"	18.033823
"793065"	2535.442723	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+NH4"	18.033823
"1686115"	857.170123	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+NH4"	18.033823
"336580"	848.6568495	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H+NH4"	19.041099
"730095"	1268.2249995	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H+NH4"	19.041099
"1485010"	429.0886995	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+NH4"	19.041099
"400409"	1701.261818	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Na"	22.989218
"761407"	2540.398118	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+Na"	22.989218
"1609504"	862.125518	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na"	22.989218
"321734"	851.134547	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H+Na"	23.996494
"715250"	1270.702697	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H+Na"	23.996494
"1467976"	431.566397	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+Na"	23.996494
"1056849"	288.04669	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2H+Na"	25.00377
"1260717"	872.169786	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+CH3OH+H"	33.033486
"380381"	1717.235758	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+K"	38.963158
"752687"	2556.372058	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+K"	38.963158
"1550732"	878.099458	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K"	38.963158
"311916"	859.121517	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+H+K"	39.970434
"704337"	1278.689667	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+H+K"	39.970434
"1455607"	439.553367	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+K"	39.970434
"245300"	1720.306426	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+ACN+H"	42.033826
"1219103"	881.170126	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+ACN+H"	42.033826
"1202987"	441.088701	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+ACN+2H"	43.041102
"200599"	1723.24376	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2Na-H"	44.97116
"640158"	2562.38006	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2Na-H"	44.97116
"1143297"	884.10746	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2Na-H"	44.97116
"185862"	862.125518	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2Na"	45.978436
"621772"	1281.693668	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2Na"	45.978436
"1124185"	442.557368	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2Na"	45.978436
"1408800"	295.374004	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+2Na"	46.985712
"1434357"	886.149046	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+HCOOH"	47.012746
"226241"	867.15854	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+3H2O+2H"	56.04448
"1515398"	900.20109	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+IsoProp+H"	61.06479
"410715"	870.112488	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+Na+K"	61.952376
"779363"	1289.680638	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+Na+K"	61.952376
"1666701"	450.544338	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na+K"	61.952376
"253587"	1742.288368	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+ACN+Na"	64.015768
"1226047"	903.152068	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+ACN+Na"	64.015768
"1713357"	903.175593	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+NH4+HCOOH"	64.039293
"1179033"	302.701318	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+3Na"	68.967654
"1661246"	908.130988	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na+HCOOH"	68.994688
"168109"	1755.19164	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2K-H"	76.91904
"601107"	2594.32794	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2K-H"	76.91904
"1093277"	916.05534	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2K-H"	76.91904
"151189"	878.099458	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"2M+2K"	77.926316
"592934"	1297.667608	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"3M+2K"	77.926316
"1078542"	458.531308	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2K"	77.926316
"1107377"	918.069892	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2K+H"	78.933592
"1347043"	918.157507	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+DMSO+H"	79.021207
"1014479"	922.196676	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2ACN+H"	83.060376
"1530417"	923.190308	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+IsoProp+Na+H"	84.054008
"999051"	461.601976	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+2ACN+2H"	84.067652
"1597933"	924.104928	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K+HCOOH"	84.968628
"1421408"	954.136438	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+H+CF3COOH"	115.000138
"1151696"	482.115251	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+3ACN+2H"	125.094202
"1697965"	971.162985	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+NH4+CF3COOH"	132.026685
"1636897"	976.11838	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+Na+CF3COOH"	136.98208
"1571939"	992.09232	"C05668"	"3-Hydroxypropionyl-CoA;3-Hydroxypropionyl coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;beta-Hydroxypropionyl-CoA"	"C24H40N7O18P3S"	"839.1363"	"M+K+CF3COOH"	152.95602
"811666"	119.0219	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M"	0
"978639"	100.00351	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H2O-H"	-19.01839
"71253"	78.3406573333333	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-3H"	-3.021828
"515187"	118.014624	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-3H"	-3.021828
"889708"	38.6666906666667	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-3H"	-3.021828
"7190"	118.014624	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H"	-2.014552
"447844"	177.525574	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H"	-2.014552
"822366"	58.503674	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H"	-2.014552
"84545"	237.036524	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-H"	-1.007276
"518882"	356.058424	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-H"	-1.007276
"899724"	118.014624	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H"	-1.007276
"49725"	254.063071	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H+NH4"	16.019271
"489285"	373.084971	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H+NH4"	16.019271
"865994"	135.041171	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H+NH4"	16.019271
"37175"	259.018466	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H+Na"	20.974666
"476734"	378.040366	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H+Na"	20.974666
"852355"	139.996566	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H+Na"	20.974666
"1621890"	139.996566	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na-2H"	20.974666
"100604"	136.002963	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-H+Cl"	33.962126
"534283"	195.513913	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-H+Cl"	33.962126
"928573"	76.492013	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+Cl"	33.962126
"268588"	273.013202	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Cl"	34.969402
"660033"	392.035102	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+Cl"	34.969402
"1273074"	153.991302	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl"	34.969402
"15864"	274.992406	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M-2H+K"	36.948606
"455807"	394.014306	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M-2H+K"	36.948606
"835886"	155.970506	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-2H+K"	36.948606
"1564846"	155.970506	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K-2H"	36.948606
"952728"	164.020094	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+HCOOH"	44.998194
"363290"	283.042001	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+HCOOH-H"	44.998201
"348628"	297.057651	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Hac-H"	59.013851
"1494906"	178.035751	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Hac-H"	59.013851
"962084"	186.002051	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+NaCOOH"	66.980151
"113907"	153.991302	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2Cl"	69.938804
"551644"	213.502252	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2Cl"	69.938804
"1021489"	94.480352	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2Cl"	69.938804
"1242941"	197.940785	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Br"	78.918885
"1310499"	199.996772	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl+HCOOH"	80.974872
"1326904"	221.978729	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl+NaCOOH"	102.956829
"913586"	232.007486	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M-H+CF3COOH"	112.985586
"1296857"	267.984164	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Cl+CF3COOH"	148.962264
"1381582"	84.009224	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H-2H2O"	-35.012676
"1395797"	102.0192	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H-H2O"	-17.0027
"290020"	239.051076	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H"	1.007276
"683536"	358.072976	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H"	1.007276
"1356603"	120.029176	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H"	1.007276
"134962"	120.029176	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2H"	2.014552
"574522"	179.540126	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2H"	2.014552
"1044413"	60.518226	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2H"	2.014552
"211221"	80.3552093333333	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+3H"	3.021828
"649687"	120.029176	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+3H"	3.021828
"1170003"	40.6812426666667	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+3H"	3.021828
"428900"	256.077623	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+NH4"	18.033823
"788801"	375.099523	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+NH4"	18.033823
"1682945"	137.055723	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+NH4"	18.033823
"337785"	128.5424495	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H+NH4"	19.041099
"724739"	188.0533995	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H+NH4"	19.041099
"1482933"	69.0314995	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+NH4"	19.041099
"400519"	261.033018	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Na"	22.989218
"761517"	380.054918	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+Na"	22.989218
"1608520"	142.011118	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na"	22.989218
"318562"	131.020147	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H+Na"	23.996494
"714266"	190.531097	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H+Na"	23.996494
"1468085"	71.509197	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+Na"	23.996494
"1056595"	48.0085566666667	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2H+Na"	25.00377
"1258275"	152.055386	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+CH3OH+H"	33.033486
"382678"	277.006958	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+K"	38.963158
"753404"	396.028858	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+K"	38.963158
"1552297"	157.985058	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K"	38.963158
"312025"	139.007117	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+H+K"	39.970434
"704811"	198.518067	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+H+K"	39.970434
"1457175"	79.496167	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+K"	39.970434
"249053"	280.077626	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+ACN+H"	42.033826
"1219938"	161.055726	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+ACN+H"	42.033826
"1205283"	81.031501	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+ACN+2H"	43.041102
"198155"	283.01496	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2Na-H"	44.97116
"640996"	402.03686	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2Na-H"	44.97116
"1142314"	163.99306	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2Na-H"	44.97116
"178676"	142.011118	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2Na"	45.978436
"619328"	201.522068	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2Na"	45.978436
"1118822"	82.500168	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2Na"	45.978436
"1403440"	55.3358706666667	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+2Na"	46.985712
"1433373"	166.034646	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+HCOOH"	47.012746
"225257"	147.04414	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+3H2O+2H"	56.04448
"1515508"	180.08669	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+IsoProp+H"	61.06479
"414104"	149.998088	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+Na+K"	61.952376
"779472"	209.509038	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+Na+K"	61.952376
"1670337"	90.487138	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na+K"	61.952376
"254669"	302.059568	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+ACN+Na"	64.015768
"1226280"	183.037668	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+ACN+Na"	64.015768
"1713705"	183.061193	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+NH4+HCOOH"	64.039293
"1178616"	62.6631846666667	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+3Na"	68.967654
"1661356"	188.016588	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na+HCOOH"	68.994688
"169312"	314.96284	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2K-H"	76.91904
"609603"	433.98474	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2K-H"	76.91904
"1092296"	195.94094	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2K-H"	76.91904
"152390"	157.985058	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"2M+2K"	77.926316
"590863"	217.496008	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"3M+2K"	77.926316
"1077563"	98.474108	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2K"	77.926316
"1108580"	197.955492	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2K+H"	78.933592
"1347153"	198.043107	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+DMSO+H"	79.021207
"1015683"	202.082276	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2ACN+H"	83.060376
"1532714"	203.075908	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+IsoProp+Na+H"	84.054008
"1001348"	101.544776	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+2ACN+2H"	84.067652
"1598043"	203.990528	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K+HCOOH"	84.968628
"1421516"	234.022038	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+H+CF3COOH"	115.000138
"1152897"	122.058051	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+3ACN+2H"	125.094202
"1702449"	251.048585	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+NH4+CF3COOH"	132.026685
"1635912"	256.00398	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+Na+CF3COOH"	136.98208
"1572657"	271.97792	"C05669"	"beta-Nitropropanoate;beta-Nitropropanoic acid;beta-Nitropropionic acid;3-Nitropropanoate;3-Nitropropionic acid"	"C3H5NO4"	"119.0219"	"M+K+CF3COOH"	152.95602
"811776"	70.0531	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M"	0
"984217"	51.03471	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-H2O-H"	-19.01839
"74644"	45.6947906666667	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M-3H"	-3.021828
"512017"	69.045824	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M-3H"	-3.021828
"886539"	22.3437573333333	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-3H"	-3.021828
"7301"	69.045824	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M-2H"	-2.014552
"450141"	104.072374	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M-2H"	-2.014552
"819197"	34.019274	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-2H"	-2.014552
"81377"	139.098924	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M-H"	-1.007276
"519355"	209.152024	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M-H"	-1.007276
"899834"	69.045824	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-H"	-1.007276
"48742"	156.125471	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M-2H+NH4"	16.019271
"493770"	226.178571	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M-2H+NH4"	16.019271
"871573"	86.072371	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-2H+NH4"	16.019271
"35097"	161.080866	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M-2H+Na"	20.974666
"477936"	231.133966	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M-2H+Na"	20.974666
"856841"	91.027766	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-2H+Na"	20.974666
"1626374"	91.027766	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Na-2H"	20.974666
"101809"	87.034163	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M-H+Cl"	33.962126
"536997"	122.060713	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M-H+Cl"	33.962126
"930512"	52.007613	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-H+Cl"	33.962126
"268093"	175.075602	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+Cl"	34.969402
"660223"	245.128702	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+Cl"	34.969402
"1273197"	105.022502	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Cl"	34.969402
"17540"	177.054806	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M-2H+K"	36.948606
"459290"	247.107906	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M-2H+K"	36.948606
"838188"	107.001706	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-2H+K"	36.948606
"1561677"	107.001706	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+K-2H"	36.948606
"944093"	115.051294	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-H+HCOOH"	44.998194
"361733"	185.104401	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+HCOOH-H"	44.998201
"346914"	199.120051	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+Hac-H"	59.013851
"1493111"	129.066951	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Hac-H"	59.013851
"958596"	137.033251	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-H+NaCOOH"	66.980151
"110611"	105.022502	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+2Cl"	69.938804
"550538"	140.049052	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+2Cl"	69.938804
"1022171"	69.995952	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2Cl"	69.938804
"1241398"	148.971985	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Br"	78.918885
"1307331"	151.027972	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Cl+HCOOH"	80.974872
"1327014"	173.009929	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Cl+NaCOOH"	102.956829
"915885"	183.038686	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M-H+CF3COOH"	112.985586
"1303697"	219.015364	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Cl+CF3COOH"	148.962264
"1381940"	35.040424	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H-2H2O"	-35.012676
"1395908"	53.0504	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H-H2O"	-17.0027
"287942"	141.113476	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+H"	1.007276
"680366"	211.166576	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+H"	1.007276
"1356713"	71.060376	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H"	1.007276
"127419"	71.060376	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+2H"	2.014552
"570256"	106.086926	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+2H"	2.014552
"1037124"	36.033826	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2H"	2.014552
"210237"	47.7093426666667	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+3H"	3.021828
"649798"	71.060376	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+3H"	3.021828
"1167928"	24.3583093333333	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+3H"	3.021828
"430106"	158.140023	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+NH4"	18.033823
"788913"	228.193123	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+NH4"	18.033823
"1687431"	88.086923	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+NH4"	18.033823
"335709"	79.5736495	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+H+NH4"	19.041099
"724849"	114.6001995	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+H+NH4"	19.041099
"1481949"	44.5470995	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H+NH4"	19.041099
"402816"	163.095418	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+Na"	22.989218
"762720"	233.148518	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+Na"	22.989218
"1607172"	93.042318	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Na"	22.989218
"317576"	82.051347	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+H+Na"	23.996494
"710007"	117.077897	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+H+Na"	23.996494
"1463827"	47.024797	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H+Na"	23.996494
"1054518"	31.6856233333333	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2H+Na"	25.00377
"1257529"	103.086586	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+CH3OH+H"	33.033486
"377806"	179.069358	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+K"	38.963158
"750719"	249.122458	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+K"	38.963158
"1550221"	109.016258	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+K"	38.963158
"309583"	90.038317	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+H+K"	39.970434
"701641"	125.064867	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+H+K"	39.970434
"1456917"	55.011767	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H+K"	39.970434
"245517"	182.140026	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+ACN+H"	42.033826
"1220412"	112.086926	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+ACN+H"	42.033826
"1199920"	56.547101	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+ACN+2H"	43.041102
"197169"	185.07736	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+2Na-H"	44.97116
"635638"	255.13046	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+2Na-H"	44.97116
"1138049"	115.02426	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2Na-H"	44.97116
"173682"	93.042318	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+2Na"	45.978436
"616525"	128.068868	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+2Na"	45.978436
"1117476"	58.015768	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2Na"	45.978436
"1399055"	39.0129373333333	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H+2Na"	46.985712
"1441141"	117.065846	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H+HCOOH"	47.012746
"231930"	98.07534	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+3H2O+2H"	56.04448
"1515618"	131.11789	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+IsoProp+H"	61.06479
"416400"	101.029288	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+Na+K"	61.952376
"775211"	136.055838	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+Na+K"	61.952376
"1671540"	66.002738	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Na+K"	61.952376
"256966"	204.121968	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+ACN+Na"	64.015768
"1226023"	134.068868	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+ACN+Na"	64.015768
"1712800"	134.092393	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+NH4+HCOOH"	64.039293
"1178643"	46.3402513333333	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+3Na"	68.967654
"1661466"	139.047788	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Na+HCOOH"	68.994688
"168329"	217.02524	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+2K-H"	76.91904
"603521"	287.07834	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+2K-H"	76.91904
"1093136"	146.97214	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2K-H"	76.91904
"152136"	109.016258	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"2M+2K"	77.926316
"588786"	144.042808	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"3M+2K"	77.926316
"1078400"	73.989708	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2K"	77.926316
"1109787"	148.986692	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2K+H"	78.933592
"1345078"	149.074307	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+DMSO+H"	79.021207
"1013607"	153.113476	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2ACN+H"	83.060376
"1532826"	154.107108	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+IsoProp+Na+H"	84.054008
"998184"	77.060376	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+2ACN+2H"	84.067652
"1598153"	155.021728	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+K+HCOOH"	84.968628
"1421627"	185.053238	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+H+CF3COOH"	115.000138
"1151916"	97.573651	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+3ACN+2H"	125.094202
"1699644"	202.079785	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+NH4+CF3COOH"	132.026685
"1634808"	207.03518	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+Na+CF3COOH"	136.98208
"1572767"	223.00912	"C05670"	"3-Aminopropiononitrile;beta-Aminopropionitrile"	"C3H6N2"	"70.0531"	"M+K+CF3COOH"	152.95602
"814073"	169.014	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M"	0
"987605"	149.99561	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-H2O-H"	-19.01839
"74754"	111.668724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M-3H"	-3.021828
"517352"	168.006724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M-3H"	-3.021828
"886649"	55.330724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-3H"	-3.021828
"4131"	168.006724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M-2H"	-2.014552
"451344"	252.513724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M-2H"	-2.014552
"820400"	83.499724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-2H"	-2.014552
"82580"	337.020724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M-H"	-1.007276
"519953"	506.034724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M-H"	-1.007276
"898848"	168.006724	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-H"	-1.007276
"49945"	354.047271	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M-2H+NH4"	16.019271
"493880"	523.061271	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M-2H+NH4"	16.019271
"872776"	185.033271	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-2H+NH4"	16.019271
"37394"	359.002666	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M-2H+Na"	20.974666
"478046"	528.016666	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M-2H+Na"	20.974666
"856951"	189.988666	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-2H+Na"	20.974666
"1630858"	189.988666	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Na-2H"	20.974666
"103013"	185.995063	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M-H+Cl"	33.962126
"539294"	270.502063	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M-H+Cl"	33.962126
"933902"	101.488063	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-H+Cl"	33.962126
"272820"	372.997402	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+Cl"	34.969402
"664147"	542.011402	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+Cl"	34.969402
"1276916"	203.983402	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Cl"	34.969402
"19472"	374.976606	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M-2H+K"	36.948606
"459764"	543.990606	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M-2H+K"	36.948606
"842673"	205.962606	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-2H+K"	36.948606
"1565068"	205.962606	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+K-2H"	36.948606
"944931"	214.012194	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-H+HCOOH"	44.998194
"362168"	383.026201	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+HCOOH-H"	44.998201
"348482"	397.041851	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+Hac-H"	59.013851
"1494033"	228.027851	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Hac-H"	59.013851
"959382"	235.994151	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-H+NaCOOH"	66.980151
"112302"	203.983402	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+2Cl"	69.938804
"555877"	288.490402	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+2Cl"	69.938804
"1026496"	119.476402	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2Cl"	69.938804
"1243889"	247.932885	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Br"	78.918885
"1310721"	249.988872	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Cl+HCOOH"	80.974872
"1329311"	271.970829	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Cl+NaCOOH"	102.956829
"922555"	281.999586	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M-H+CF3COOH"	112.985586
"1303277"	317.976264	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Cl+CF3COOH"	148.962264
"1382371"	134.001324	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H-2H2O"	-35.012676
"1394925"	152.0113	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H-H2O"	-17.0027
"292426"	339.035276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+H"	1.007276
"682661"	508.049276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+H"	1.007276
"1362289"	170.021276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H"	1.007276
"128623"	170.021276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+2H"	2.014552
"571460"	254.528276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+2H"	2.014552
"1041353"	85.514276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2H"	2.014552
"207431"	113.683276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+3H"	3.021828
"652096"	170.021276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+3H"	3.021828
"1175693"	57.345276	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+3H"	3.021828
"435683"	356.061823	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+NH4"	18.033823
"791209"	525.075823	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+NH4"	18.033823
"1688634"	187.047823	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+NH4"	18.033823
"335819"	178.5345495	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+H+NH4"	19.041099
"726052"	263.0415495	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+H+NH4"	19.041099
"1483153"	94.0275495	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H+NH4"	19.041099
"402926"	361.017218	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+Na"	22.989218
"762830"	530.031218	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+Na"	22.989218
"1610927"	192.003218	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Na"	22.989218
"318779"	181.012247	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+H+Na"	23.996494
"712293"	265.519247	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+H+Na"	23.996494
"1467216"	96.505247	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H+Na"	23.996494
"1054628"	64.67259	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2H+Na"	25.00377
"1257760"	202.047486	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+CH3OH+H"	33.033486
"379618"	376.991158	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+K"	38.963158
"749372"	546.005158	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+K"	38.963158
"1552519"	207.977158	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+K"	38.963158
"308601"	188.999217	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+H+K"	39.970434
"703208"	273.506217	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+H+K"	39.970434
"1453747"	104.492217	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H+K"	39.970434
"243441"	380.061826	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+ACN+H"	42.033826
"1219429"	211.047826	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+ACN+H"	42.033826
"1200030"	106.027551	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+ACN+2H"	43.041102
"197279"	382.99916	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+2Na-H"	44.97116
"639028"	552.01316	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+2Na-H"	44.97116
"1138159"	213.98516	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2Na-H"	44.97116
"176345"	192.003218	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+2Na"	45.978436
"616271"	276.510218	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+2Na"	45.978436
"1117951"	107.496218	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2Na"	45.978436
"1401111"	71.999904	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H+2Na"	46.985712
"1444531"	216.026746	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H+HCOOH"	47.012746
"232040"	197.03624	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+3H2O+2H"	56.04448
"1515727"	230.07879	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+IsoProp+H"	61.06479
"418697"	199.990188	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+Na+K"	61.952376
"784066"	284.497188	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+Na+K"	61.952376
"1673837"	115.483188	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Na+K"	61.952376
"260356"	402.043768	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+ACN+Na"	64.015768
"1230878"	233.029768	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+ACN+Na"	64.015768
"1715389"	233.053293	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+NH4+HCOOH"	64.039293
"1182202"	79.327218	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+3Na"	68.967654
"1656108"	238.008688	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Na+HCOOH"	68.994688
"164069"	414.94704	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+2K-H"	76.91904
"597425"	583.96104	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+2K-H"	76.91904
"1088144"	245.93304	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2K-H"	76.91904
"150060"	207.977158	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"2M+2K"	77.926316
"586708"	292.484158	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"3M+2K"	77.926316
"1073044"	123.470158	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2K"	77.926316
"1105523"	247.947592	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2K+H"	78.933592
"1337533"	248.035207	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+DMSO+H"	79.021207
"1011530"	252.074376	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2ACN+H"	83.060376
"1526375"	253.068008	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+IsoProp+Na+H"	84.054008
"998296"	126.540826	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+2ACN+2H"	84.067652
"1593890"	253.982628	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+K+HCOOH"	84.968628
"1421737"	284.014138	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+H+CF3COOH"	115.000138
"1155306"	147.054101	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+3ACN+2H"	125.094202
"1699754"	301.040685	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+NH4+CF3COOH"	132.026685
"1635404"	305.99608	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+Na+CF3COOH"	136.98208
"1571459"	321.97002	"C05672"	"2-Amino-3-phosphonopropanoate;Phosphonoalanine"	"C3H8NO5P"	"169.014"	"M+K+CF3COOH"	152.95602
"814182"	430.0655	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M"	0
"985527"	411.04711	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-H2O-H"	-19.01839
"77051"	285.703057333333	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M-3H"	-3.021828
"512237"	429.058224	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M-3H"	-3.021828
"886758"	142.347890666667	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-3H"	-3.021828
"5334"	429.058224	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M-2H"	-2.014552
"451456"	644.090974	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M-2H"	-2.014552
"822697"	214.025474	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-2H"	-2.014552
"84877"	859.123724	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M-H"	-1.007276
"521156"	1289.189224	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M-H"	-1.007276
"900051"	429.058224	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-H"	-1.007276
"51148"	876.150271	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M-2H+NH4"	16.019271
"496176"	1306.215771	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M-2H+NH4"	16.019271
"873979"	446.084771	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-2H+NH4"	16.019271
"38597"	881.105666	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M-2H+Na"	20.974666
"473783"	1311.171166	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M-2H+Na"	20.974666
"857061"	451.040166	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-2H+Na"	20.974666
"1632062"	451.040166	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Na-2H"	20.974666
"103123"	447.046563	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M-H+Cl"	33.962126
"542685"	662.079313	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M-H+Cl"	33.962126
"938387"	232.013813	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-H+Cl"	33.962126
"274755"	895.100402	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+Cl"	34.969402
"667175"	1325.165902	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+Cl"	34.969402
"1280674"	465.034902	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Cl"	34.969402
"19582"	897.079606	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M-2H+K"	36.948606
"457316"	1327.145106	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M-2H+K"	36.948606
"843877"	467.014106	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-2H+K"	36.948606
"1560805"	467.014106	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+K-2H"	36.948606
"945041"	475.063694	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-H+HCOOH"	44.998194
"362523"	905.129201	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+HCOOH-H"	44.998201
"346403"	919.144851	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+Hac-H"	59.013851
"1493534"	489.079351	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Hac-H"	59.013851
"959372"	497.045651	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-H+NaCOOH"	66.980151
"110711"	465.034902	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+2Cl"	69.938804
"554893"	680.067652	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+2Cl"	69.938804
"1024055"	250.002152	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2Cl"	69.938804
"1242902"	508.984385	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Br"	78.918885
"1314111"	511.040372	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Cl+HCOOH"	80.974872
"1332702"	533.022329	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Cl+NaCOOH"	102.956829
"916469"	543.051086	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M-H+CF3COOH"	112.985586
"1303152"	579.027764	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Cl+CF3COOH"	148.962264
"1382406"	395.052824	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H-2H2O"	-35.012676
"1396126"	413.0628	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H-H2O"	-17.0027
"298129"	861.138276	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+H"	1.007276
"684957"	1291.203776	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+H"	1.007276
"1364585"	431.072776	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H"	1.007276
"135294"	431.072776	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+2H"	2.014552
"569019"	646.105526	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+2H"	2.014552
"1043650"	216.040026	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2H"	2.014552
"211553"	287.717609333333	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+3H"	3.021828
"653299"	431.072776	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+3H"	3.021828
"1176169"	144.362442666667	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+3H"	3.021828
"433606"	878.164823	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+NH4"	18.033823
"796789"	1308.230323	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+NH4"	18.033823
"1690932"	448.099323	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+NH4"	18.033823
"337026"	439.5860495	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+H+NH4"	19.041099
"729811"	654.6187995	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+H+NH4"	19.041099
"1485452"	224.5532995	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H+NH4"	19.041099
"401944"	883.120218	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+Na"	22.989218
"762940"	1313.185718	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+Na"	22.989218
"1608853"	453.054718	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Na"	22.989218
"321075"	442.063747	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+H+Na"	23.996494
"712767"	657.096497	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+H+Na"	23.996494
"1468419"	227.030997	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H+Na"	23.996494
"1060570"	151.689756666667	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2H+Na"	25.00377
"1262247"	463.098986	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+CH3OH+H"	33.033486
"378999"	899.094158	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+K"	38.963158
"749483"	1329.159658	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+K"	38.963158
"1550442"	469.028658	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+K"	38.963158
"306523"	450.050717	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+H+K"	39.970434
"702225"	665.083467	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+H+K"	39.970434
"1456778"	235.017967	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H+K"	39.970434
"245741"	902.164826	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+ACN+H"	42.033826
"1220637"	472.099326	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+ACN+H"	42.033826
"1202329"	236.553301	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+ACN+2H"	43.041102
"200672"	905.10216	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+2Na-H"	44.97116
"634763"	1335.16766	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+2Na-H"	44.97116
"1134983"	475.03666	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2Na-H"	44.97116
"180468"	453.054718	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+2Na"	45.978436
"617109"	668.087468	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+2Na"	45.978436
"1117331"	238.021968	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2Na"	45.978436
"1405229"	159.017070666667	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H+2Na"	46.985712
"1443548"	477.078246	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H+HCOOH"	47.012746
"232150"	458.08774	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+3H2O+2H"	56.04448
"1512557"	491.13029	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+IsoProp+H"	61.06479
"418811"	461.041688	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+Na+K"	61.952376
"778711"	676.074438	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+Na+K"	61.952376
"1676134"	246.008938	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Na+K"	61.952376
"260466"	924.146768	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+ACN+Na"	64.015768
"1232082"	494.081268	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+ACN+Na"	64.015768
"1715865"	494.104793	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+NH4+HCOOH"	64.039293
"1181218"	166.344384666667	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+3Na"	68.967654
"1658405"	499.060188	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Na+HCOOH"	68.994688
"167094"	937.05004	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+2K-H"	76.91904
"597665"	1367.11554	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+2K-H"	76.91904
"1089347"	506.98454	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2K-H"	76.91904
"150535"	469.028658	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"2M+2K"	77.926316
"588640"	684.061408	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"3M+2K"	77.926316
"1076070"	253.995908	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2K"	77.926316
"1105634"	508.999092	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2K+H"	78.933592
"1344205"	509.086707	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+DMSO+H"	79.021207
"1011640"	513.125876	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2ACN+H"	83.060376
"1530859"	514.119508	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+IsoProp+Na+H"	84.054008
"997312"	257.066576	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+2ACN+2H"	84.067652
"1595093"	515.034128	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+K+HCOOH"	84.968628
"1426222"	545.065638	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+H+CF3COOH"	115.000138
"1155416"	277.579851	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+3ACN+2H"	125.094202
"1699501"	562.092185	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+NH4+CF3COOH"	132.026685
"1635878"	567.04758	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+Na+CF3COOH"	136.98208
"1571891"	583.02152	"C05673"	"CMP-2-aminoethylphosphonate;CMPciliatine"	"C11H20N4O10P2"	"430.0655"	"M+K+CF3COOH"	152.95602
"811012"	473.1202	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M"	0
"979077"	454.10181	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-H2O-H"	-19.01839
"76919"	314.406190666667	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M-3H"	-3.021828
"516722"	472.112924	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M-3H"	-3.021828
"883587"	156.699457333333	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-3H"	-3.021828
"2163"	472.112924	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M-2H"	-2.014552
"451564"	708.673024	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M-2H"	-2.014552
"821714"	235.552824	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-2H"	-2.014552
"84987"	945.233124	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M-H"	-1.007276
"521266"	1418.353324	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M-H"	-1.007276
"900161"	472.112924	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-H"	-1.007276
"51257"	962.259671	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M-2H+NH4"	16.019271
"495193"	1435.379871	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M-2H+NH4"	16.019271
"875182"	489.139471	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-2H+NH4"	16.019271
"39801"	967.215066	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M-2H+Na"	20.974666
"474986"	1440.335266	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M-2H+Na"	20.974666
"856077"	494.094866	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-2H+Na"	20.974666
"1629985"	494.094866	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Na-2H"	20.974666
"102139"	490.101263	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M-H+Cl"	33.962126
"543888"	726.661363	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M-H+Cl"	33.962126
"937403"	253.541163	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-H+Cl"	33.962126
"273042"	981.209802	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+Cl"	34.969402
"666557"	1454.330002	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+Cl"	34.969402
"1276410"	508.089602	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Cl"	34.969402
"19327"	983.189006	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M-2H+K"	36.948606
"457304"	1456.309206	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M-2H+K"	36.948606
"841800"	510.068806	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-2H+K"	36.948606
"1564195"	510.068806	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+K-2H"	36.948606
"944056"	518.118394	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-H+HCOOH"	44.998194
"362272"	991.238601	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+HCOOH-H"	44.998201
"346270"	1005.254251	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+Hac-H"	59.013851
"1493520"	532.134051	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Hac-H"	59.013851
"959360"	540.100351	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-H+NaCOOH"	66.980151
"110577"	508.089602	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+2Cl"	69.938804
"551356"	744.649702	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+2Cl"	69.938804
"1022342"	271.529502	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2Cl"	69.938804
"1241588"	552.039085	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Br"	78.918885
"1306567"	554.095072	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Cl+HCOOH"	80.974872
"1327344"	576.077029	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Cl+NaCOOH"	102.956829
"913663"	586.105786	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M-H+CF3COOH"	112.985586
"1303500"	622.082464	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Cl+CF3COOH"	148.962264
"1381902"	438.107524	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H-2H2O"	-35.012676
"1396236"	456.1175	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H-H2O"	-17.0027
"293739"	947.247676	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+H"	1.007276
"689441"	1420.367876	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+H"	1.007276
"1361415"	474.127476	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H"	1.007276
"137591"	474.127476	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+2H"	2.014552
"572774"	710.687576	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+2H"	2.014552
"1043760"	237.567376	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2H"	2.014552
"211663"	316.420742666667	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+3H"	3.021828
"651222"	474.127476	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+3H"	3.021828
"1176644"	158.714009333333	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+3H"	3.021828
"433716"	964.274223	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+NH4"	18.033823
"795803"	1437.394423	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+NH4"	18.033823
"1693229"	491.154023	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+NH4"	18.033823
"337133"	482.6407495	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+H+NH4"	19.041099
"729557"	719.2008495	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+H+NH4"	19.041099
"1483376"	246.0806495	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H+NH4"	19.041099
"403148"	969.229618	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+Na"	22.989218
"763050"	1442.349818	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+Na"	22.989218
"1608962"	496.109418	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Na"	22.989218
"318999"	485.118447	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+H+Na"	23.996494
"712513"	721.678547	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+H+Na"	23.996494
"1468529"	248.558347	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H+Na"	23.996494
"1059587"	166.041323333333	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2H+Na"	25.00377
"1262357"	506.153686	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+CH3OH+H"	33.033486
"379838"	985.203558	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+K"	38.963158
"751778"	1458.323758	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+K"	38.963158
"1553837"	512.083358	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+K"	38.963158
"311009"	493.105417	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+H+K"	39.970434
"705253"	729.665517	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+H+K"	39.970434
"1458345"	256.545317	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H+K"	39.970434
"246945"	988.274226	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+ACN+H"	42.033826
"1220747"	515.154026	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+ACN+H"	42.033826
"1202439"	258.080651	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+ACN+2H"	43.041102
"201876"	991.21156	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+2Na-H"	44.97116
"635966"	1464.33176	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+2Na-H"	44.97116
"1133270"	518.09136	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2Na-H"	44.97116
"180578"	496.109418	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+2Na"	45.978436
"616124"	732.669518	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+2Na"	45.978436
"1118534"	259.549318	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2Na"	45.978436
"1404610"	173.368637333333	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H+2Na"	46.985712
"1441471"	520.132946	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H+HCOOH"	47.012746
"223146"	501.14244	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+3H2O+2H"	56.04448
"1511574"	534.18499	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+IsoProp+H"	61.06479
"420012"	504.096388	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+Na+K"	61.952376
"777728"	740.656488	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+Na+K"	61.952376
"1671871"	267.536288	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Na+K"	61.952376
"257660"	1010.256168	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+ACN+Na"	64.015768
"1228181"	537.135968	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+ACN+Na"	64.015768
"1715245"	537.159493	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+NH4+HCOOH"	64.039293
"1180232"	180.695951333333	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+3Na"	68.967654
"1652681"	542.114888	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Na+HCOOH"	68.994688
"162462"	1023.15944	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+2K-H"	76.91904
"607132"	1496.27964	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+2K-H"	76.91904
"1093830"	550.03924	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2K-H"	76.91904
"150645"	512.083358	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"2M+2K"	77.926316
"589114"	748.643458	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"3M+2K"	77.926316
"1078731"	275.523258	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2K"	77.926316
"1109024"	552.053792	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2K+H"	78.933592
"1347596"	552.141407	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+DMSO+H"	79.021207
"1009563"	556.180576	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2ACN+H"	83.060376
"1529875"	557.174208	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+IsoProp+Na+H"	84.054008
"1000701"	278.593926	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+2ACN+2H"	84.067652
"1593017"	558.088828	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+K+HCOOH"	84.968628
"1426332"	588.120338	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+H+CF3COOH"	115.000138
"1155526"	299.107201	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+3ACN+2H"	125.094202
"1699975"	605.146885	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+NH4+CF3COOH"	132.026685
"1635988"	610.10228	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+Na+CF3COOH"	136.98208
"1572002"	626.07622	"C05674"	"CMP-N-trimethyl-2-aminoethylphosphonate;CMP-2-trimethylaminoethylphosphonate"	"C14H27N4O10P2"	"473.1202"	"M+K+CF3COOH"	152.95602
"815013"	141.0191	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M"	0
"984657"	122.00071	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-H2O-H"	-19.01839
"70713"	93.0054573333333	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M-3H"	-3.021828
"511365"	140.011824	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M-3H"	-3.021828
"892455"	45.9990906666667	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-3H"	-3.021828
"9938"	140.011824	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M-2H"	-2.014552
"450591"	210.521374	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M-2H"	-2.014552
"827298"	69.502274	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-2H"	-2.014552
"89480"	281.030924	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M-H"	-1.007276
"532322"	422.050024	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M-H"	-1.007276
"901376"	140.011824	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-H"	-1.007276
"53562"	298.057471	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M-2H+NH4"	16.019271
"495309"	439.076571	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M-2H+NH4"	16.019271
"879071"	157.038371	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-2H+NH4"	16.019271
"46690"	303.012866	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M-2H+Na"	20.974666
"485679"	444.031966	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M-2H+Na"	20.974666
"863772"	161.993766	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-2H+Na"	20.974666
"1633751"	161.993766	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Na-2H"	20.974666
"104443"	158.000163	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M-H+Cl"	33.962126
"549802"	228.509713	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M-H+Cl"	33.962126
"942507"	87.490613	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-H+Cl"	33.962126
"281302"	317.007602	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+Cl"	34.969402
"672870"	458.026702	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+Cl"	34.969402
"1285275"	175.988502	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Cl"	34.969402
"29657"	318.986806	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M-2H+K"	36.948606
"461925"	460.005906	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M-2H+K"	36.948606
"837539"	177.967706	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-2H+K"	36.948606
"1558838"	177.967706	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+K-2H"	36.948606
"944530"	186.017294	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-H+HCOOH"	44.998194
"364933"	327.036401	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+HCOOH-H"	44.998201
"346139"	341.052051	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+Hac-H"	59.013851
"1494727"	200.032951	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Hac-H"	59.013851
"960081"	207.999251	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-H+NaCOOH"	66.980151
"118478"	175.988502	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+2Cl"	69.938804
"563509"	246.498052	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+2Cl"	69.938804
"1031215"	105.478952	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2Cl"	69.938804
"1250793"	219.937985	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Br"	78.918885
"1318347"	221.993972	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Cl+HCOOH"	80.974872
"1330739"	243.975929	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Cl+NaCOOH"	102.956829
"922889"	254.004686	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M-H+CF3COOH"	112.985586
"1298511"	289.981364	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Cl+CF3COOH"	148.962264
"1377765"	106.006424	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H-2H2O"	-35.012676
"1394168"	124.0164	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H-H2O"	-17.0027
"297879"	283.045476	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+H"	1.007276
"691314"	424.064576	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+H"	1.007276
"1364816"	142.026376	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H"	1.007276
"139165"	142.026376	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+2H"	2.014552
"580190"	212.535926	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+2H"	2.014552
"1050446"	71.516826	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2H"	2.014552
"216522"	95.0200093333333	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+3H"	3.021828
"659365"	142.026376	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+3H"	3.021828
"1176030"	48.0136426666667	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+3H"	3.021828
"437481"	300.072023	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+NH4"	18.033823
"798838"	441.091123	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+NH4"	18.033823
"1693344"	159.052923	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+NH4"	18.033823
"340528"	150.5396495	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+H+NH4"	19.041099
"732950"	221.0491995	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+H+NH4"	19.041099
"1486774"	80.0300995	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H+NH4"	19.041099
"397797"	305.027418	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+Na"	22.989218
"764260"	446.046518	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+Na"	22.989218
"1610173"	164.008318	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Na"	22.989218
"320209"	153.017347	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+H+Na"	23.996494
"714823"	223.526897	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+H+Na"	23.996494
"1470834"	82.507797	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H+Na"	23.996494
"1067367"	55.3409566666667	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2H+Na"	25.00377
"1271230"	174.052586	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+CH3OH+H"	33.033486
"388710"	321.001358	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+K"	38.963158
"751893"	462.020458	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+K"	38.963158
"1552850"	179.982258	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+K"	38.963158
"313998"	161.004317	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+H+K"	39.970434
"706094"	231.513867	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+H+K"	39.970434
"1457361"	90.494767	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H+K"	39.970434
"247056"	324.072026	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+ACN+H"	42.033826
"1223046"	183.052926	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+ACN+H"	42.033826
"1208753"	92.030101	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+ACN+2H"	43.041102
"200892"	327.00936	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+2Na-H"	44.97116
"641546"	468.02846	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+2Na-H"	44.97116
"1146514"	185.99026	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2Na-H"	44.97116
"188188"	164.008318	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+2Na"	45.978436
"627990"	234.517868	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+2Na"	45.978436
"1128131"	93.498768	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2Na"	45.978436
"1408375"	62.6682706666667	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H+2Na"	46.985712
"1436121"	188.031846	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H+HCOOH"	47.012746
"225816"	169.04134	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+3H2O+2H"	56.04448
"1518251"	202.08389	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+IsoProp+H"	61.06479
"417937"	171.995288	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+Na+K"	61.952376
"774921"	242.504838	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+Na+K"	61.952376
"1677452"	101.485738	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Na+K"	61.952376
"259597"	346.053968	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+ACN+Na"	64.015768
"1234497"	205.034868	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+ACN+Na"	64.015768
"1722292"	205.058393	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+NH4+HCOOH"	64.039293
"1192023"	69.9955846666667	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+3Na"	68.967654
"1662646"	210.013788	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Na+HCOOH"	68.994688
"170601"	358.95724	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+2K-H"	76.91904
"608337"	499.97634	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+2K-H"	76.91904
"1096496"	217.93814	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2K-H"	76.91904
"152946"	179.982258	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"2M+2K"	77.926316
"589224"	250.491808	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"3M+2K"	77.926316
"1079207"	109.472708	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2K"	77.926316
"1111322"	219.952692	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2K+H"	78.933592
"1344431"	220.040307	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+DMSO+H"	79.021207
"1015145"	224.079476	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2ACN+H"	83.060376
"1527805"	225.073108	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+IsoProp+Na+H"	84.054008
"991214"	112.543376	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+2ACN+2H"	84.067652
"1588877"	225.987728	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+K+HCOOH"	84.968628
"1415876"	256.019238	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+H+CF3COOH"	115.000138
"1156736"	133.056651	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+3ACN+2H"	125.094202
"1709568"	273.045785	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+NH4+CF3COOH"	132.026685
"1644124"	278.00118	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+Na+CF3COOH"	136.98208
"1578680"	293.97512	"C05678"	"1-Hydroxy-2-aminoethylphosphonate"	"C2H8NO4P"	"141.0191"	"M+K+CF3COOH"	152.95602
"809047"	139.0398	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M"	0
"983674"	120.02141	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-H2O-H"	-19.01839
"70824"	91.685924	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M-3H"	-3.021828
"506007"	138.032524	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M-3H"	-3.021828
"892564"	45.339324	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-3H"	-3.021828
"8954"	138.032524	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M-2H"	-2.014552
"449607"	207.552424	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M-2H"	-2.014552
"826314"	68.512624	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-2H"	-2.014552
"89590"	277.072324	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M-H"	-1.007276
"525872"	416.112124	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M-H"	-1.007276
"905860"	138.032524	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-H"	-1.007276
"52943"	294.098871	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M-2H+NH4"	16.019271
"496512"	433.138671	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M-2H+NH4"	16.019271
"878088"	155.059071	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-2H+NH4"	16.019271
"44409"	299.054266	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M-2H+Na"	20.974666
"480686"	438.094066	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M-2H+Na"	20.974666
"859222"	160.014466	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-2H+Na"	20.974666
"1631672"	160.014466	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Na-2H"	20.974666
"104553"	156.020863	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M-H+Cl"	33.962126
"546304"	225.540763	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M-H+Cl"	33.962126
"941519"	86.500963	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-H+Cl"	33.962126
"278372"	313.049002	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+Cl"	34.969402
"667513"	452.088802	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+Cl"	34.969402
"1279918"	174.009202	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Cl"	34.969402
"23569"	315.028206	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M-2H+K"	36.948606
"458755"	454.068006	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M-2H+K"	36.948606
"835462"	175.988406	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-2H+K"	36.948606
"1558949"	175.988406	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+K-2H"	36.948606
"943015"	184.037994	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-H+HCOOH"	44.998194
"363950"	323.077801	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+HCOOH-H"	44.998201
"346250"	337.093451	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+Hac-H"	59.013851
"1494470"	198.053651	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Hac-H"	59.013851
"961283"	206.019951	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-H+NaCOOH"	66.980151
"110679"	174.009202	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+2Cl"	69.938804
"560339"	243.529102	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+2Cl"	69.938804
"1031324"	104.489302	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2Cl"	69.938804
"1249809"	217.958685	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Br"	78.918885
"1311167"	220.014672	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Cl+HCOOH"	80.974872
"1324289"	241.996629	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Cl+NaCOOH"	102.956829
"916439"	252.025386	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M-H+CF3COOH"	112.985586
"1298621"	288.002064	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Cl+CF3COOH"	148.962264
"1378968"	104.027124	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H-2H2O"	-35.012676
"1394278"	122.0371	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H-H2O"	-17.0027
"297622"	279.086876	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+H"	1.007276
"690045"	418.126676	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+H"	1.007276
"1364926"	140.047076	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H"	1.007276
"139275"	140.047076	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+2H"	2.014552
"580179"	209.566976	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+2H"	2.014552
"1051408"	70.527176	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2H"	2.014552
"216268"	93.700476	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+3H"	3.021828
"651449"	140.047076	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+3H"	3.021828
"1175411"	47.353876	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+3H"	3.021828
"435035"	296.113423	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+NH4"	18.033823
"797854"	435.153223	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+NH4"	18.033823
"1690174"	157.073623	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+NH4"	18.033823
"337358"	148.5603495	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+H+NH4"	19.041099
"733060"	218.0802495	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+H+NH4"	19.041099
"1482508"	79.0404495	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H+NH4"	19.041099
"396814"	301.068818	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+Na"	22.989218
"761090"	440.108618	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+Na"	22.989218
"1610283"	162.029018	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Na"	22.989218
"321412"	151.038047	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+H+Na"	23.996494
"717122"	220.557947	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+H+Na"	23.996494
"1470944"	81.518147	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H+Na"	23.996494
"1067721"	54.68119	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2H+Na"	25.00377
"1272152"	172.073286	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+CH3OH+H"	33.033486
"391007"	317.042758	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+K"	38.963158
"753097"	456.082558	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+K"	38.963158
"1554056"	178.002958	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+K"	38.963158
"311962"	159.025017	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+H+K"	39.970434
"705475"	228.544917	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+H+K"	39.970434
"1456378"	89.505117	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H+K"	39.970434
"246073"	320.113426	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+ACN+H"	42.033826
"1223400"	181.073626	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+ACN+H"	42.033826
"1207040"	91.040451	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+ACN+2H"	43.041102
"198815"	323.05076	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+2Na-H"	44.97116
"640563"	462.09056	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+2Na-H"	44.97116
"1146140"	184.01096	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2Na-H"	44.97116
"187363"	162.029018	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+2Na"	45.978436
"623640"	231.548918	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+2Na"	45.978436
"1122045"	92.509118	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2Na"	45.978436
"1409577"	62.008504	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H+2Na"	46.985712
"1435138"	186.052546	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H+HCOOH"	47.012746
"229205"	167.06204	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+3H2O+2H"	56.04448
"1520548"	200.10459	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+IsoProp+H"	61.06479
"411484"	170.015988	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+Na+K"	61.952376
"771020"	239.535888	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+Na+K"	61.952376
"1672094"	100.496088	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Na+K"	61.952376
"257885"	342.095368	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+ACN+Na"	64.015768
"1231691"	203.055568	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+ACN+Na"	64.015768
"1719122"	203.079093	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+NH4+HCOOH"	64.039293
"1189946"	69.335818	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+3Na"	68.967654
"1664213"	208.034488	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Na+HCOOH"	68.994688
"169618"	354.99864	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+2K-H"	76.91904
"607353"	494.03844	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+2K-H"	76.91904
"1095876"	215.95884	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2K-H"	76.91904
"151599"	178.002958	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"2M+2K"	77.926316
"588241"	247.522858	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"3M+2K"	77.926316
"1074941"	108.483058	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2K"	77.926316
"1111432"	217.973392	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2K+H"	78.933592
"1345636"	218.061007	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+DMSO+H"	79.021207
"1015255"	222.100176	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2ACN+H"	83.060376
"1526822"	223.093808	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+IsoProp+Na+H"	84.054008
"991082"	111.553726	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+2ACN+2H"	84.067652
"1589594"	224.008428	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+K+HCOOH"	84.968628
"1415622"	254.039938	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+H+CF3COOH"	115.000138
"1156846"	132.067001	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+3ACN+2H"	125.094202
"1709678"	271.066485	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+NH4+CF3COOH"	132.026685
"1644234"	276.02188	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+Na+CF3COOH"	136.98208
"1575510"	291.99582	"C05679"	"N-Monomethyl-2-aminoethylphosphonate;2-Methylaminoethylphosphonate"	"C3H10NO3P"	"139.0398"	"M+K+CF3COOH"	152.95602
"805875"	153.0555	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M"	0
"978314"	134.03711	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-H2O-H"	-19.01839
"68744"	101.029724	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M-3H"	-3.021828
"510489"	152.048224	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M-3H"	-3.021828
"880999"	50.011224	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-3H"	-3.021828
"13435"	152.048224	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M-2H"	-2.014552
"452997"	228.575974	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M-2H"	-2.014552
"827517"	75.520474	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-2H"	-2.014552
"92615"	305.103724	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M-H"	-1.007276
"528162"	458.159224	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M-H"	-1.007276
"905969"	152.048224	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-H"	-1.007276
"61440"	322.130271	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M-2H+NH4"	16.019271
"501729"	475.185771	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M-2H+NH4"	16.019271
"878078"	169.074771	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-2H+NH4"	16.019271
"43788"	327.085666	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M-2H+Na"	20.974666
"485173"	480.141166	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M-2H+Na"	20.974666
"860789"	174.030166	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-2H+Na"	20.974666
"1628133"	174.030166	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Na-2H"	20.974666
"98101"	170.036563	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M-H+Cl"	33.962126
"548116"	246.564313	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M-H+Cl"	33.962126
"941144"	93.508813	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-H+Cl"	33.962126
"279576"	341.080402	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+Cl"	34.969402
"668716"	494.135902	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+Cl"	34.969402
"1283307"	188.024902	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Cl"	34.969402
"25866"	343.059606	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M-2H+K"	36.948606
"462144"	496.115106	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M-2H+K"	36.948606
"838850"	190.004106	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-2H+K"	36.948606
"1556505"	190.004106	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+K-2H"	36.948606
"944386"	198.053694	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-H+HCOOH"	44.998194
"361667"	351.109201	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+HCOOH-H"	44.998201
"347210"	365.124851	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+Hac-H"	59.013851
"1495308"	212.069351	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Hac-H"	59.013851
"960299"	220.035651	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-H+NaCOOH"	66.980151
"110910"	188.024902	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+2Cl"	69.938804
"550716"	264.552652	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+2Cl"	69.938804
"1032527"	111.497152	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2Cl"	69.938804
"1249918"	231.974385	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Br"	78.918885
"1314557"	234.030372	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Cl+HCOOH"	80.974872
"1325491"	256.012329	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Cl+NaCOOH"	102.956829
"914362"	266.041086	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M-H+CF3COOH"	112.985586
"1302011"	302.017764	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Cl+CF3COOH"	148.962264
"1379077"	118.042824	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H-2H2O"	-35.012676
"1394387"	136.0528	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H-H2O"	-17.0027
"297005"	307.118276	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+H"	1.007276
"689059"	460.173776	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+H"	1.007276
"1366818"	154.062776	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H"	1.007276
"139016"	154.062776	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+2H"	2.014552
"579924"	230.590526	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+2H"	2.014552
"1049205"	77.535026	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2H"	2.014552
"216009"	103.044276	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+3H"	3.021828
"651559"	154.062776	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+3H"	3.021828
"1172231"	52.025776	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+3H"	3.021828
"436232"	324.144823	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+NH4"	18.033823
"796134"	477.200323	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+NH4"	18.033823
"1691375"	171.089323	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+NH4"	18.033823
"336369"	162.5760495	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+H+NH4"	19.041099
"729884"	239.1037995	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+H+NH4"	19.041099
"1483708"	86.0482995	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H+NH4"	19.041099
"398013"	329.100218	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+Na"	22.989218
"759006"	482.155718	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+Na"	22.989218
"1603831"	176.044718	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Na"	22.989218
"318237"	165.053747	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+H+Na"	23.996494
"717961"	241.581497	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+H+Na"	23.996494
"1469960"	88.525997	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H+Na"	23.996494
"1061758"	59.35309	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2H+Na"	25.00377
"1269631"	186.088986	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+CH3OH+H"	33.033486
"390388"	345.074158	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+K"	38.963158
"752114"	498.129658	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+K"	38.963158
"1550886"	192.018658	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+K"	38.963158
"310976"	173.040717	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+H+K"	39.970434
"701574"	249.568467	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+H+K"	39.970434
"1455394"	96.512967	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H+K"	39.970434
"248006"	348.144826	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+ACN+H"	42.033826
"1221080"	195.089326	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+ACN+H"	42.033826
"1207151"	98.048301	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+ACN+2H"	43.041102
"202694"	351.08216	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+2Na-H"	44.97116
"640673"	504.13766	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+2Na-H"	44.97116
"1138712"	198.02666	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2Na-H"	44.97116
"184190"	176.044718	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+2Na"	45.978436
"622657"	252.572468	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+2Na"	45.978436
"1121060"	99.516968	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2Na"	45.978436
"1407500"	66.680404	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H+2Na"	46.985712
"1434516"	200.068246	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H+HCOOH"	47.012746
"224575"	181.07774	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+3H2O+2H"	56.04448
"1516282"	214.12029	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+IsoProp+H"	61.06479
"415968"	184.031688	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+Na+K"	61.952376
"773682"	260.559438	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+Na+K"	61.952376
"1671112"	107.503938	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Na+K"	61.952376
"256170"	370.126768	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+ACN+Na"	64.015768
"1235810"	217.071268	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+ACN+Na"	64.015768
"1720326"	217.094793	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+NH4+HCOOH"	64.039293
"1190056"	74.007718	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+3Na"	68.967654
"1664569"	222.050188	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Na+HCOOH"	68.994688
"170824"	383.03004	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+2K-H"	76.91904
"609650"	536.08554	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+2K-H"	76.91904
"1097080"	229.97454	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2K-H"	76.91904
"152075"	192.018658	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"2M+2K"	77.926316
"594548"	268.546408	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"3M+2K"	77.926316
"1082341"	115.490908	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2K"	77.926316
"1113244"	231.989092	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2K+H"	78.933592
"1346839"	232.076707	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+DMSO+H"	79.021207
"1015365"	236.115876	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2ACN+H"	83.060376
"1529119"	237.109508	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+IsoProp+Na+H"	84.054008
"991192"	118.561576	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+2ACN+2H"	84.067652
"1591163"	238.024128	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+K+HCOOH"	84.968628
"1416825"	268.055638	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+H+CF3COOH"	115.000138
"1155863"	139.074851	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+3ACN+2H"	125.094202
"1709788"	285.082185	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+NH4+CF3COOH"	132.026685
"1646531"	290.03758	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+Na+CF3COOH"	136.98208
"1573433"	306.01152	"C05680"	"N-Dimethyl-2-aminoethylphosphonate;2-Dimethylaminoethylphosphonate"	"C4H12NO3P"	"153.0555"	"M+K+CF3COOH"	152.95602
"809268"	139.9875	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M"	0
"979521"	120.96911	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-H2O-H"	-19.01839
"71043"	92.317724	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M-3H"	-3.021828
"506228"	138.980224	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M-3H"	-3.021828
"892782"	45.655224	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-3H"	-3.021828
"5889"	138.980224	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M-2H"	-2.014552
"454811"	208.973974	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M-2H"	-2.014552
"830912"	68.986474	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-2H"	-2.014552
"89809"	278.967724	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M-H"	-1.007276
"526091"	418.955224	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M-H"	-1.007276
"902799"	138.980224	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-H"	-1.007276
"54985"	295.994271	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M-2H+NH4"	16.019271
"500384"	435.981771	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M-2H+NH4"	16.019271
"877457"	156.006771	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-2H+NH4"	16.019271
"46536"	300.949666	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M-2H+Na"	20.974666
"479816"	440.937166	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M-2H+Na"	20.974666
"856526"	160.962166	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-2H+Na"	20.974666
"1631527"	160.962166	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Na-2H"	20.974666
"104777"	156.968563	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M-H+Cl"	33.962126
"546161"	226.962313	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M-H+Cl"	33.962126
"935664"	86.974813	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-H+Cl"	33.962126
"279326"	314.944402	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+Cl"	34.969402
"666643"	454.931902	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+Cl"	34.969402
"1279048"	174.956902	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Cl"	34.969402
"20510"	316.923606	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M-2H+K"	36.948606
"457394"	456.911106	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M-2H+K"	36.948606
"835682"	176.936106	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-2H+K"	36.948606
"1556009"	176.936106	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+K-2H"	36.948606
"943280"	184.985694	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-H+HCOOH"	44.998194
"362218"	324.973201	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+HCOOH-H"	44.998201
"350233"	338.988851	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+Hac-H"	59.013851
"1496149"	199.001351	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Hac-H"	59.013851
"959558"	206.967651	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-H+NaCOOH"	66.980151
"110210"	174.956902	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+2Cl"	69.938804
"559465"	244.950652	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+2Cl"	69.938804
"1028265"	104.963152	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2Cl"	69.938804
"1250031"	218.906385	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Br"	78.918885
"1311388"	220.962372	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Cl+HCOOH"	80.974872
"1321956"	242.944329	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Cl+NaCOOH"	102.956829
"925050"	252.973086	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M-H+CF3COOH"	112.985586
"1303214"	288.949764	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Cl+CF3COOH"	148.962264
"1380282"	104.974824	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H-2H2O"	-35.012676
"1397913"	122.9848	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H-H2O"	-17.0027
"297113"	280.982276	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+H"	1.007276
"689897"	420.969776	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+H"	1.007276
"1365879"	140.994776	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H"	1.007276
"140229"	140.994776	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+2H"	2.014552
"577965"	210.988526	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+2H"	2.014552
"1050410"	71.001026	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2H"	2.014552
"213204"	94.332276	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+3H"	3.021828
"652763"	140.994776	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+3H"	3.021828
"1170886"	47.669776	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+3H"	3.021828
"436346"	298.008823	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+NH4"	18.033823
"797346"	437.996323	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+NH4"	18.033823
"1691486"	158.021323	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+NH4"	18.033823
"340854"	149.5080495	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+H+NH4"	19.041099
"728907"	219.5017995	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+H+NH4"	19.041099
"1482725"	79.5142995	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H+NH4"	19.041099
"398122"	302.964218	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+Na"	22.989218
"766780"	442.951718	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+Na"	22.989218
"1609409"	162.976718	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Na"	22.989218
"324916"	151.985747	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+H+Na"	23.996494
"712963"	221.979497	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+H+Na"	23.996494
"1475307"	81.991997	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H+Na"	23.996494
"1066728"	54.99709	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2H+Na"	25.00377
"1269741"	173.020986	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+CH3OH+H"	33.033486
"389769"	318.938158	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+K"	38.963158
"752224"	458.925658	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+K"	38.963158
"1551726"	178.950658	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+K"	38.963158
"311449"	159.972717	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+H+K"	39.970434
"703870"	229.966467	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+H+K"	39.970434
"1455504"	89.978967	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H+K"	39.970434
"248480"	322.008826	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+ACN+H"	42.033826
"1220096"	182.021326	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+ACN+H"	42.033826
"1207991"	91.514301	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+ACN+2H"	43.041102
"202926"	324.94616	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+2Na-H"	44.97116
"641880"	464.93366	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+2Na-H"	44.97116
"1142104"	184.95866	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2Na-H"	44.97116
"178833"	162.976718	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+2Na"	45.978436
"617664"	232.970468	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+2Na"	45.978436
"1124086"	92.982968	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2Na"	45.978436
"1401416"	62.324404	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H+2Na"	46.985712
"1435719"	187.000246	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H+HCOOH"	47.012746
"223957"	168.00974	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+3H2O+2H"	56.04448
"1515299"	201.05229	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+IsoProp+H"	61.06479
"410976"	170.963688	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+Na+K"	61.952376
"774891"	240.957438	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+Na+K"	61.952376
"1671222"	100.969938	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Na+K"	61.952376
"257747"	343.990768	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+ACN+Na"	64.015768
"1231551"	204.003268	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+ACN+Na"	64.015768
"1720438"	204.026793	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+NH4+HCOOH"	64.039293
"1189073"	69.651718	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+3Na"	68.967654
"1664069"	208.982188	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Na+HCOOH"	68.994688
"169837"	356.89404	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+2K-H"	76.91904
"611221"	496.88154	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+2K-H"	76.91904
"1097554"	216.90654	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2K-H"	76.91904
"152182"	178.950658	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"2M+2K"	77.926316
"588461"	248.944408	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"3M+2K"	77.926316
"1078444"	108.956908	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2K"	77.926316
"1106191"	218.921092	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2K+H"	78.933592
"1342574"	219.008707	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+DMSO+H"	79.021207
"1012200"	223.047876	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2ACN+H"	83.060376
"1530326"	224.041508	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+IsoProp+Na+H"	84.054008
"994586"	112.027576	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+2ACN+2H"	84.067652
"1598931"	224.956128	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+K+HCOOH"	84.968628
"1423500"	254.987638	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+H+CF3COOH"	115.000138
"1159255"	132.540851	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+3ACN+2H"	125.094202
"1709899"	272.014185	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+NH4+CF3COOH"	132.026685
"1638988"	276.96958	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+Na+CF3COOH"	136.98208
"1579012"	292.94352	"C05682"	"Phosphonoacetate;Phosphonoacetic acid;Fosfonet"	"C2H5O5P"	"139.9875"	"M+K+CF3COOH"	152.95602
"812658"	515.3012	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M"	0
"984006"	496.28281	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-H2O-H"	-19.01839
"71153"	342.526857333333	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M-3H"	-3.021828
"506338"	514.293924	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M-3H"	-3.021828
"887425"	170.759790666667	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-3H"	-3.021828
"9279"	514.293924	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M-2H"	-2.014552
"455615"	771.944524	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M-2H"	-2.014552
"831631"	256.643324	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-2H"	-2.014552
"91618"	1029.595124	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M-H"	-1.007276
"526202"	1544.896324	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M-H"	-1.007276
"900723"	514.293924	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-H"	-1.007276
"58377"	1046.621671	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M-2H+NH4"	16.019271
"502607"	1561.922871	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M-2H+NH4"	16.019271
"879787"	531.320471	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-2H+NH4"	16.019271
"46207"	1051.577066	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M-2H+Na"	20.974666
"483572"	1566.878266	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M-2H+Na"	20.974666
"861374"	536.275866	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-2H+Na"	20.974666
"1632245"	536.275866	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Na-2H"	20.974666
"108774"	532.282263	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M-H+Cl"	33.962126
"549554"	789.932863	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M-H+Cl"	33.962126
"940513"	274.631663	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-H+Cl"	33.962126
"282110"	1065.571802	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+Cl"	34.969402
"666753"	1580.873002	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+Cl"	34.969402
"1283532"	550.270602	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Cl"	34.969402
"20620"	1067.551006	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M-2H+K"	36.948606
"463458"	1582.852206	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M-2H+K"	36.948606
"836885"	552.249806	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-2H+K"	36.948606
"1561464"	552.249806	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+K-2H"	36.948606
"943427"	560.299394	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-H+HCOOH"	44.998194
"362456"	1075.600601	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+HCOOH-H"	44.998201
"347429"	1089.616251	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+Hac-H"	59.013851
"1494439"	574.315051	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Hac-H"	59.013851
"959912"	582.281351	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-H+NaCOOH"	66.980151
"110402"	550.270602	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+2Cl"	69.938804
"558482"	807.921202	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+2Cl"	69.938804
"1027282"	292.620002	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2Cl"	69.938804
"1246860"	594.220085	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Br"	78.918885
"1314778"	596.276072	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Cl+HCOOH"	80.974872
"1323525"	618.258029	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Cl+NaCOOH"	102.956829
"926379"	628.286786	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M-H+CF3COOH"	112.985586
"1302232"	664.263464	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Cl+CF3COOH"	148.962264
"1380391"	480.288524	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H-2H2O"	-35.012676
"1397536"	498.2985	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H-H2O"	-17.0027
"297909"	1031.609676	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+H"	1.007276
"691183"	1546.910876	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+H"	1.007276
"1366354"	516.308476	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H"	1.007276
"139245"	516.308476	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+2H"	2.014552
"578075"	773.959076	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+2H"	2.014552
"1049791"	258.657876	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2H"	2.014552
"216594"	344.541409333333	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+3H"	3.021828
"655789"	516.308476	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+3H"	3.021828
"1172090"	172.774342666667	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+3H"	3.021828
"436456"	1048.636223	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+NH4"	18.033823
"796354"	1563.937423	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+NH4"	18.033823
"1688311"	533.335023	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+NH4"	18.033823
"337685"	524.8217495	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+H+NH4"	19.041099
"730109"	782.4723495	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+H+NH4"	19.041099
"1480650"	267.1711495	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H+NH4"	19.041099
"395318"	1053.591618	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+Na"	22.989218
"766526"	1568.892818	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+Na"	22.989218
"1609519"	538.290418	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Na"	22.989218
"325026"	527.299447	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+H+Na"	23.996494
"713073"	784.950047	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+H+Na"	23.996494
"1464706"	269.648847	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H+Na"	23.996494
"1064523"	180.101656666667	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2H+Na"	25.00377
"1271669"	548.334686	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+CH3OH+H"	33.033486
"390243"	1069.565558	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+K"	38.963158
"751239"	1584.866758	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+K"	38.963158
"1554750"	554.264358	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+K"	38.963158
"311558"	535.286417	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+H+K"	39.970434
"705073"	792.937017	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+H+K"	39.970434
"1456707"	277.635817	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H+K"	39.970434
"246402"	1072.636226	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+ACN+H"	42.033826
"1220205"	557.335026	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+ACN+H"	42.033826
"1208462"	279.171151	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+ACN+2H"	43.041102
"200239"	1075.57356	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+2Na-H"	44.97116
"641990"	1590.87476	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+2Na-H"	44.97116
"1138934"	560.27236	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2Na-H"	44.97116
"178943"	538.290418	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+2Na"	45.978436
"618138"	795.941018	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+2Na"	45.978436
"1121280"	280.639818	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2Na"	45.978436
"1408817"	187.428970666667	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H+2Na"	46.985712
"1438745"	562.313946	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H+HCOOH"	47.012746
"226255"	543.32344	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+3H2O+2H"	56.04448
"1518689"	576.36599	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+IsoProp+H"	61.06479
"412910"	546.277388	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+Na+K"	61.952376
"776094"	803.927988	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+Na+K"	61.952376
"1671332"	288.626788	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Na+K"	61.952376
"260044"	1094.618168	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+ACN+Na"	64.015768
"1234942"	579.316968	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+ACN+Na"	64.015768
"1722735"	579.340493	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+NH4+HCOOH"	64.039293
"1191370"	194.756284666667	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+3Na"	68.967654
"1665275"	584.295888	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Na+HCOOH"	68.994688
"170190"	1107.52144	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+2K-H"	76.91904
"611699"	1622.82264	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+2K-H"	76.91904
"1098272"	592.22024	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2K-H"	76.91904
"152291"	554.264358	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"2M+2K"	77.926316
"591851"	811.914958	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"3M+2K"	77.926316
"1076366"	296.613758	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2K"	77.926316
"1105207"	594.234792	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2K+H"	78.933592
"1344872"	594.322407	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+DMSO+H"	79.021207
"1010123"	598.361576	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2ACN+H"	83.060376
"1529340"	599.355208	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+IsoProp+Na+H"	84.054008
"994696"	299.684426	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+2ACN+2H"	84.067652
"1596855"	600.269828	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+K+HCOOH"	84.968628
"1422517"	630.301338	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+H+CF3COOH"	115.000138
"1158272"	320.197701	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+3ACN+2H"	125.094202
"1706728"	647.327885	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+NH4+CF3COOH"	132.026685
"1641285"	652.28328	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+Na+CF3COOH"	136.98208
"1579122"	668.25722	"C05683"	"2-Aminoethylphosphocholate"	"C26H46NO7P"	"515.3012"	"M+K+CF3COOH"	152.95602
"804020"	127.9013	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M"	0
"987396"	108.88291	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-H2O-H"	-19.01839
"69076"	84.2602573333333	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M-3H"	-3.021828
"506812"	126.894024	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M-3H"	-3.021828
"887535"	41.6264906666667	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-3H"	-3.021828
"7202"	126.894024	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M-2H"	-2.014552
"455034"	190.844674	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M-2H"	-2.014552
"830036"	62.943374	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-2H"	-2.014552
"88934"	254.795324	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M-H"	-1.007276
"527405"	382.696624	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M-H"	-1.007276
"900833"	126.894024	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-H"	-1.007276
"54113"	271.821871	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M-2H+NH4"	16.019271
"501943"	399.723171	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M-2H+NH4"	16.019271
"879910"	143.920571	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-2H+NH4"	16.019271
"46994"	276.777266	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M-2H+Na"	20.974666
"486113"	404.678566	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M-2H+Na"	20.974666
"863960"	148.875966	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-2H+Na"	20.974666
"1632838"	148.875966	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Na-2H"	20.974666
"109969"	144.882363	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M-H+Cl"	33.962126
"549712"	208.833013	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M-H+Cl"	33.962126
"942765"	80.931713	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-H+Cl"	33.962126
"282754"	290.772002	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+Cl"	34.969402
"671967"	418.673302	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+Cl"	34.969402
"1283642"	162.870702	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Cl"	34.969402
"22916"	292.751206	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M-2H+K"	36.948606
"466848"	420.652506	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M-2H+K"	36.948606
"839182"	164.849906	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-2H+K"	36.948606
"1562668"	164.849906	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+K-2H"	36.948606
"944110"	172.899494	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-H+HCOOH"	44.998194
"365485"	300.800801	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+HCOOH-H"	44.998201
"346449"	314.816451	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+Hac-H"	59.013851
"1493823"	186.915151	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Hac-H"	59.013851
"959659"	194.881451	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-H+NaCOOH"	66.980151
"110392"	162.870702	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+2Cl"	69.938804
"556406"	226.821352	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+2Cl"	69.938804
"1030672"	98.920052	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2Cl"	69.938804
"1245877"	206.820185	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Br"	78.918885
"1314888"	208.876172	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Cl+HCOOH"	80.974872
"1324729"	230.858129	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Cl+NaCOOH"	102.956829
"926731"	240.886886	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M-H+CF3COOH"	112.985586
"1301248"	276.863564	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Cl+CF3COOH"	148.962264
"1379408"	92.888624	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H-2H2O"	-35.012676
"1397280"	110.8986	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H-H2O"	-17.0027
"296603"	256.809876	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+H"	1.007276
"689021"	384.711176	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+H"	1.007276
"1364640"	128.908576	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H"	1.007276
"139354"	128.908576	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+2H"	2.014552
"580376"	192.859226	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+2H"	2.014552
"1052092"	64.957926	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2H"	2.014552
"218164"	86.2748093333333	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+3H"	3.021828
"657357"	128.908576	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+3H"	3.021828
"1173294"	43.6410426666667	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+3H"	3.021828
"432193"	273.836423	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+NH4"	18.033823
"794278"	401.737723	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+NH4"	18.033823
"1686234"	145.935123	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+NH4"	18.033823
"335609"	137.4218495	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+H+NH4"	19.041099
"730218"	201.3724995	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+H+NH4"	19.041099
"1480759"	73.4711995	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H+NH4"	19.041099
"393523"	278.791818	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+Na"	22.989218
"755090"	406.693118	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+Na"	22.989218
"1609629"	150.890518	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Na"	22.989218
"325136"	139.899547	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+H+Na"	23.996494
"715369"	203.850197	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+H+Na"	23.996494
"1465909"	75.948897	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H+Na"	23.996494
"1067913"	50.9683566666667	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2H+Na"	25.00377
"1270685"	160.934786	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+CH3OH+H"	33.033486
"388895"	294.765758	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+K"	38.963158
"752442"	422.667058	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+K"	38.963158
"1552305"	166.864458	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+K"	38.963158
"306200"	147.886517	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+H+K"	39.970434
"699715"	211.837167	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+H+K"	39.970434
"1456816"	83.935867	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H+K"	39.970434
"246512"	297.836426	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+ACN+H"	42.033826
"1218127"	169.935126	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+ACN+H"	42.033826
"1208572"	85.471201	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+ACN+2H"	43.041102
"200349"	300.77376	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+2Na-H"	44.97116
"639913"	428.67506	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+2Na-H"	44.97116
"1143418"	172.87246	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2Na-H"	44.97116
"185614"	150.890518	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+2Na"	45.978436
"620434"	214.841168	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+2Na"	45.978436
"1126494"	86.939868	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2Na"	45.978436
"1407834"	58.2956706666667	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H+2Na"	46.985712
"1439949"	174.914046	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H+HCOOH"	47.012746
"222353"	155.92354	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+3H2O+2H"	56.04448
"1517706"	188.96609	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+IsoProp+H"	61.06479
"413748"	158.877488	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+Na+K"	61.952376
"776204"	222.828138	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+Na+K"	61.952376
"1671442"	94.926838	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Na+K"	61.952376
"261248"	319.818368	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+ACN+Na"	64.015768
"1233958"	191.917068	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+ACN+Na"	64.015768
"1727219"	191.940593	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+NH4+HCOOH"	64.039293
"1193546"	65.6229846666667	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+3Na"	68.967654
"1665309"	196.895988	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Na+HCOOH"	68.994688
"171393"	332.72164	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+2K-H"	76.91904
"612421"	460.62294	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+2K-H"	76.91904
"1096680"	204.82034	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2K-H"	76.91904
"154590"	166.864458	"C05684"	"Selenite"	"SeO3"	"127.9013"	"2M+2K"	77.926316
"595121"	230.815108	"C05684"	"Selenite"	"SeO3"	"127.9013"	"3M+2K"	77.926316
"1083645"	102.913808	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2K"	77.926316
"1108598"	206.834892	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2K+H"	78.933592
"1346075"	206.922507	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+DMSO+H"	79.021207
"1012420"	210.961676	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2ACN+H"	83.060376
"1531637"	211.955308	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+IsoProp+Na+H"	84.054008
"998086"	105.984476	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+2ACN+2H"	84.067652
"1598057"	212.869928	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+K+HCOOH"	84.968628
"1428459"	242.901438	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+H+CF3COOH"	115.000138
"1160568"	126.497751	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+3ACN+2H"	125.094202
"1707931"	259.927985	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+NH4+CF3COOH"	132.026685
"1641395"	264.88338	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+Na+CF3COOH"	136.98208
"1579232"	280.85732	"C05684"	"Selenite"	"SeO3"	"127.9013"	"M+K+CF3COOH"	152.95602
"803037"	474.9644	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M"	0
"979850"	455.94601	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-H2O-H"	-19.01839
"63350"	315.635657333333	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M-3H"	-3.021828
"506558"	473.957124	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M-3H"	-3.021828
"882174"	157.314190666667	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-3H"	-3.021828
"6219"	473.957124	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M-2H"	-2.014552
"454533"	711.439324	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M-2H"	-2.014552
"827959"	236.474924	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-2H"	-2.014552
"87949"	948.921524	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M-H"	-1.007276
"521681"	1423.885924	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M-H"	-1.007276
"900943"	473.957124	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-H"	-1.007276
"50943"	965.948071	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M-2H+NH4"	16.019271
"501931"	1440.912471	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M-2H+NH4"	16.019271
"879863"	490.983671	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-2H+NH4"	16.019271
"46907"	970.903466	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M-2H+Na"	20.974666
"486387"	1445.867866	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M-2H+Na"	20.974666
"863789"	495.939066	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-2H+Na"	20.974666
"1631855"	495.939066	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Na-2H"	20.974666
"109895"	491.945463	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M-H+Cl"	33.962126
"549652"	729.427663	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M-H+Cl"	33.962126
"942482"	254.463263	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-H+Cl"	33.962126
"282805"	984.898202	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+Cl"	34.969402
"671348"	1459.862602	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+Cl"	34.969402
"1282659"	509.933802	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Cl"	34.969402
"24119"	986.877406	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M-2H+K"	36.948606
"463678"	1461.841806	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M-2H+K"	36.948606
"838199"	511.913006	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-2H+K"	36.948606
"1563872"	511.913006	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+K-2H"	36.948606
"945193"	519.962594	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-H+HCOOH"	44.998194
"365595"	994.927001	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+HCOOH-H"	44.998201
"345734"	1008.942651	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+Hac-H"	59.013851
"1496120"	533.978251	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Hac-H"	59.013851
"959160"	541.944551	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-H+NaCOOH"	66.980151
"110132"	509.933802	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+2Cl"	69.938804
"559794"	747.416002	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+2Cl"	69.938804
"1024586"	272.451602	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2Cl"	69.938804
"1243435"	553.883285	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Br"	78.918885
"1317185"	555.939272	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Cl+HCOOH"	80.974872
"1322652"	577.921229	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Cl+NaCOOH"	102.956829
"926802"	587.949986	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M-H+CF3COOH"	112.985586
"1302087"	623.926664	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Cl+CF3COOH"	148.962264
"1379518"	439.951724	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H-2H2O"	-35.012676
"1395933"	457.9617	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H-H2O"	-17.0027
"295985"	950.936076	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+H"	1.007276
"691240"	1425.900476	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+H"	1.007276
"1365114"	475.971676	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H"	1.007276
"140557"	475.971676	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+2H"	2.014552
"580852"	713.453876	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+2H"	2.014552
"1052566"	238.489476	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2H"	2.014552
"217546"	317.650209333333	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+3H"	3.021828
"658196"	475.971676	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+3H"	3.021828
"1173403"	159.328742666667	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+3H"	3.021828
"432301"	967.962623	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+NH4"	18.033823
"792202"	1442.927023	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+NH4"	18.033823
"1685252"	492.998223	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+NH4"	18.033823
"333533"	484.4849495	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+H+NH4"	19.041099
"727048"	721.9671495	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+H+NH4"	19.041099
"1477952"	247.0027495	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H+NH4"	19.041099
"393149"	972.918018	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+Na"	22.989218
"755321"	1447.882418	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+Na"	22.989218
"1606459"	497.953618	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Na"	22.989218
"323060"	486.962647	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+H+Na"	23.996494
"713293"	724.444847	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+H+Na"	23.996494
"1464926"	249.480447	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H+Na"	23.996494
"1066928"	166.656056666667	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2H+Na"	25.00377
"1270797"	507.997886	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+CH3OH+H"	33.033486
"388277"	988.891958	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+K"	38.963158
"750364"	1463.856358	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+K"	38.963158
"1552417"	513.927558	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+K"	38.963158
"307405"	494.949617	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+H+K"	39.970434
"704933"	732.431817	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+H+K"	39.970434
"1458021"	257.467417	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H+K"	39.970434
"242249"	991.962626	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+ACN+H"	42.033826
"1219332"	516.998226	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+ACN+H"	42.033826
"1207589"	259.002751	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+ACN+2H"	43.041102
"195355"	994.89996	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+2Na-H"	44.97116
"637832"	1469.86436	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+2Na-H"	44.97116
"1143528"	519.93556	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2Na-H"	44.97116
"185724"	497.953618	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+2Na"	45.978436
"620180"	735.435818	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+2Na"	45.978436
"1126604"	260.471418	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2Na"	45.978436
"1407944"	173.983370666667	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H+2Na"	46.985712
"1436779"	521.977146	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H+HCOOH"	47.012746
"220762"	502.98664	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+3H2O+2H"	56.04448
"1513442"	536.02919	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+IsoProp+H"	61.06479
"412035"	505.940588	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+Na+K"	61.952376
"778504"	743.422788	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+Na+K"	61.952376
"1678114"	268.458388	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Na+K"	61.952376
"262451"	1013.944568	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+ACN+Na"	64.015768
"1234068"	538.980168	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+ACN+Na"	64.015768
"1728185"	539.003693	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+NH4+HCOOH"	64.039293
"1193535"	181.310684666667	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+3Na"	68.967654
"1665528"	543.959088	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Na+HCOOH"	68.994688
"171624"	1026.84784	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+2K-H"	76.91904
"612701"	1501.81224	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+2K-H"	76.91904
"1097520"	551.88344	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2K-H"	76.91904
"154700"	513.927558	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"2M+2K"	77.926316
"597076"	751.409758	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"3M+2K"	77.926316
"1084006"	276.445358	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2K"	77.926316
"1107614"	553.897992	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2K+H"	78.933592
"1347278"	553.985607	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+DMSO+H"	79.021207
"1013623"	558.024776	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2ACN+H"	83.060376
"1533934"	559.018408	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+IsoProp+Na+H"	84.054008
"1000382"	279.516026	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+2ACN+2H"	84.067652
"1594884"	559.933028	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+K+HCOOH"	84.968628
"1428933"	589.964538	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+H+CF3COOH"	115.000138
"1159585"	300.029301	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+3ACN+2H"	125.094202
"1704761"	606.991085	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+NH4+CF3COOH"	132.026685
"1641505"	611.94648	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+Na+CF3COOH"	136.98208
"1579342"	627.92042	"C05686"	"Adenylylselenate;Adenosine-5-phosphoselenate"	"C10H14N5O10PSe"	"474.9644"	"M+K+CF3COOH"	152.95602
"801402"	168.9642	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M"	0
"979960"	149.94581	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-H2O-H"	-19.01839
"63825"	111.635524	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M-3H"	-3.021828
"505939"	167.956924	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M-3H"	-3.021828
"883377"	55.314124	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-3H"	-3.021828
"6329"	167.956924	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M-2H"	-2.014552
"453915"	252.439024	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M-2H"	-2.014552
"828070"	83.474824	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-2H"	-2.014552
"89152"	336.921124	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M-H"	-1.007276
"520334"	505.885324	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M-H"	-1.007276
"900322"	167.956924	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-H"	-1.007276
"50687"	353.947671	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M-2H+NH4"	16.019271
"501674"	522.911871	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M-2H+NH4"	16.019271
"876072"	184.983471	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-2H+NH4"	16.019271
"45796"	358.903066	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M-2H+Na"	20.974666
"486826"	527.867266	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M-2H+Na"	20.974666
"863894"	189.938866	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-2H+Na"	20.974666
"1629778"	189.938866	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Na-2H"	20.974666
"109805"	185.945263	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M-H+Cl"	33.962126
"549886"	270.427363	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M-H+Cl"	33.962126
"942467"	101.463163	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-H+Cl"	33.962126
"282278"	372.897802	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+Cl"	34.969402
"670364"	541.862002	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+Cl"	34.969402
"1281676"	203.933602	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Cl"	34.969402
"22043"	374.877006	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M-2H+K"	36.948606
"469255"	543.841206	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M-2H+K"	36.948606
"840496"	205.912806	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-2H+K"	36.948606
"1562889"	205.912806	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+K-2H"	36.948606
"945303"	213.962394	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-H+HCOOH"	44.998194
"365705"	382.926601	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+HCOOH-H"	44.998201
"348493"	396.942251	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+Hac-H"	59.013851
"1498417"	227.978051	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Hac-H"	59.013851
"960855"	235.944351	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-H+NaCOOH"	66.980151
"111224"	203.933602	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+2Cl"	69.938804
"558811"	288.415702	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+2Cl"	69.938804
"1022873"	119.451502	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2Cl"	69.938804
"1243910"	247.883085	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Br"	78.918885
"1314015"	249.939072	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Cl+HCOOH"	80.974872
"1320575"	271.921029	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Cl+NaCOOH"	102.956829
"926224"	281.949786	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M-H+CF3COOH"	112.985586
"1301103"	317.926464	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Cl+CF3COOH"	148.962264
"1376348"	133.951524	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H-2H2O"	-35.012676
"1397137"	151.9615	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H-H2O"	-17.0027
"296459"	338.935676	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+H"	1.007276
"689971"	507.899876	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+H"	1.007276
"1364859"	169.971476	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H"	1.007276
"136287"	169.971476	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+2H"	2.014552
"581293"	254.453576	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+2H"	2.014552
"1052746"	85.489376	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2H"	2.014552
"219355"	113.650076	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+3H"	3.021828
"657577"	169.971476	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+3H"	3.021828
"1172420"	57.328676	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+3H"	3.021828
"432411"	355.962223	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+NH4"	18.033823
"792312"	524.926423	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+NH4"	18.033823
"1685362"	186.998023	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+NH4"	18.033823
"334734"	178.4847495	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+H+NH4"	19.041099
"726065"	262.9668495	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+H+NH4"	19.041099
"1478063"	94.0026495	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H+NH4"	19.041099
"394190"	360.917618	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+Na"	22.989218
"755553"	529.881818	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+Na"	22.989218
"1603205"	191.953418	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Na"	22.989218
"322077"	180.962447	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+H+Na"	23.996494
"715594"	265.444547	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+H+Na"	23.996494
"1463945"	96.480347	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H+Na"	23.996494
"1066674"	64.65599	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2H+Na"	25.00377
"1268719"	201.997686	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+CH3OH+H"	33.033486
"392445"	376.891558	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+K"	38.963158
"751571"	545.855758	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+K"	38.963158
"1551436"	207.927358	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+K"	38.963158
"310799"	188.949417	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+H+K"	39.970434
"704314"	273.431517	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+H+K"	39.970434
"1458138"	104.467317	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H+K"	39.970434
"248926"	379.962226	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+ACN+H"	42.033826
"1222362"	210.998026	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+ACN+H"	42.033826
"1204422"	106.002651	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+ACN+2H"	43.041102
"198384"	382.89956	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+2Na-H"	44.97116
"637944"	551.86376	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+2Na-H"	44.97116
"1139259"	213.93536	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2Na-H"	44.97116
"181463"	191.953418	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+2Na"	45.978436
"619199"	276.435518	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+2Na"	45.978436
"1124529"	107.471318	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2Na"	45.978436
"1406234"	71.983304	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H+2Na"	46.985712
"1436892"	215.976946	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H+HCOOH"	47.012746
"220142"	196.98644	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+3H2O+2H"	56.04448
"1514648"	230.02899	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+IsoProp+H"	61.06479
"412147"	199.940388	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+Na+K"	61.952376
"778613"	284.422488	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+Na+K"	61.952376
"1677133"	115.458288	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Na+K"	61.952376
"260011"	401.944168	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+ACN+Na"	64.015768
"1232356"	232.979968	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+ACN+Na"	64.015768
"1727440"	233.003493	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+NH4+HCOOH"	64.039293
"1193898"	79.310618	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+3Na"	68.967654
"1665557"	237.958888	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Na+HCOOH"	68.994688
"172761"	414.84744	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+2K-H"	76.91904
"612725"	583.81164	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+2K-H"	76.91904
"1099889"	245.88324	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2K-H"	76.91904
"156921"	207.927358	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"2M+2K"	77.926316
"596196"	292.409458	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"3M+2K"	77.926316
"1084159"	123.445258	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2K"	77.926316
"1106631"	247.897792	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2K+H"	78.933592
"1345201"	247.985407	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+DMSO+H"	79.021207
"1010454"	252.024576	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2ACN+H"	83.060376
"1534044"	253.018208	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+IsoProp+Na+H"	84.054008
"999400"	126.515926	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+2ACN+2H"	84.067652
"1591714"	253.932828	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+K+HCOOH"	84.968628
"1425030"	283.964338	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+H+CF3COOH"	115.000138
"1153131"	147.029201	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+3ACN+2H"	125.094202
"1702682"	300.990885	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+NH4+CF3COOH"	132.026685
"1641615"	305.94628	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+Na+CF3COOH"	136.98208
"1579452"	321.92022	"C05688"	"L-Selenocysteine"	"C3H7NO2Se"	"168.9642"	"M+K+CF3COOH"	152.95602
"801836"	182.9799	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M"	0
"980070"	163.96151	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-H2O-H"	-19.01839
"66122"	120.979324	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M-3H"	-3.021828
"506778"	181.972624	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M-3H"	-3.021828
"884580"	59.986024	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-3H"	-3.021828
"3157"	181.972624	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H"	-2.014552
"444173"	273.462574	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H"	-2.014552
"828178"	90.482674	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H"	-2.014552
"83795"	364.952524	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M-H"	-1.007276
"521171"	547.932424	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M-H"	-1.007276
"897514"	181.972624	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-H"	-1.007276
"48973"	381.979071	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H+NH4"	16.019271
"501544"	564.958971	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H+NH4"	16.019271
"875089"	198.999171	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H+NH4"	16.019271
"45665"	386.934466	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H+Na"	20.974666
"486689"	569.914366	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H+Na"	20.974666
"863881"	203.954566	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H+Na"	20.974666
"1628795"	203.954566	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na-2H"	20.974666
"109787"	199.960963	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M-H+Cl"	33.962126
"549022"	291.450913	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M-H+Cl"	33.962126
"941685"	108.471013	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+Cl"	33.962126
"281822"	400.929202	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Cl"	34.969402
"672297"	583.909102	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+Cl"	34.969402
"1279598"	217.949302	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl"	34.969402
"21059"	402.908406	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H+K"	36.948606
"469611"	585.888306	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H+K"	36.948606
"843886"	219.928506	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H+K"	36.948606
"1562999"	219.928506	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+K-2H"	36.948606
"943387"	227.978094	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+HCOOH"	44.998194
"364722"	410.958001	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+HCOOH-H"	44.998201
"346457"	424.973651	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Hac-H"	59.013851
"1498528"	241.993751	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Hac-H"	59.013851
"959749"	249.960051	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+NaCOOH"	66.980151
"111699"	217.949302	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2Cl"	69.938804
"558921"	309.439252	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2Cl"	69.938804
"1022132"	126.459352	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2Cl"	69.938804
"1244020"	261.898785	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Br"	78.918885
"1314125"	263.954772	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl+HCOOH"	80.974872
"1321291"	285.936729	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl+NaCOOH"	102.956829
"926213"	295.965486	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+CF3COOH"	112.985586
"1299757"	331.942164	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl+CF3COOH"	148.962264
"1376458"	147.967224	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H-2H2O"	-35.012676
"1396882"	165.9772	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H-H2O"	-17.0027
"295474"	366.967076	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H"	1.007276
"688619"	549.946976	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H"	1.007276
"1364969"	183.987176	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H"	1.007276
"133116"	183.987176	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2H"	2.014552
"581034"	275.477126	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2H"	2.014552
"1052423"	92.497226	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2H"	2.014552
"216670"	122.993876	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+3H"	3.021828
"655500"	183.987176	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+3H"	3.021828
"1170343"	62.000576	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+3H"	3.021828
"432521"	383.993623	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+NH4"	18.033823
"790235"	566.973523	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+NH4"	18.033823
"1685472"	201.013723	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+NH4"	18.033823
"335937"	192.5004495	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H+NH4"	19.041099
"726539"	283.9903995	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H+NH4"	19.041099
"1478173"	101.0104995	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+NH4"	19.041099
"395393"	388.949018	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Na"	22.989218
"755297"	571.928918	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+Na"	22.989218
"1603882"	205.969118	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na"	22.989218
"318907"	194.978147	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H+Na"	23.996494
"713517"	286.468097	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H+Na"	23.996494
"1461865"	103.488197	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+Na"	23.996494
"1066784"	69.32789	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2H+Na"	25.00377
"1268828"	216.013386	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+CH3OH+H"	33.033486
"387403"	404.922958	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+K"	38.963158
"751681"	587.902858	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+K"	38.963158
"1549359"	221.943058	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+K"	38.963158
"308722"	202.965117	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H+K"	39.970434
"704424"	294.455067	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H+K"	39.970434
"1457884"	111.475167	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+K"	39.970434
"248672"	407.993626	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+ACN+H"	42.033826
"1221743"	225.013726	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+ACN+H"	42.033826
"1205625"	113.010501	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+ACN+2H"	43.041102
"196307"	410.93096	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2Na-H"	44.97116
"638053"	593.91086	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2Na-H"	44.97116
"1138276"	227.95106	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2Na-H"	44.97116
"179384"	205.969118	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2Na"	45.978436
"618580"	297.459068	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2Na"	45.978436
"1122450"	114.479168	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2Na"	45.978436
"1405615"	76.655204	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+2Na"	46.985712
"1435909"	229.992646	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+HCOOH"	47.012746
"221951"	211.00214	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+3H2O+2H"	56.04448
"1514758"	244.04469	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+IsoProp+H"	61.06479
"412257"	213.956088	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Na+K"	61.952376
"775443"	305.446038	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+Na+K"	61.952376
"1673962"	122.466138	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na+K"	61.952376
"260120"	429.975568	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+ACN+Na"	64.015768
"1234288"	246.995668	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+ACN+Na"	64.015768
"1728200"	247.019193	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+NH4+HCOOH"	64.039293
"1193763"	83.982518	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+3Na"	68.967654
"1665518"	251.974588	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na+HCOOH"	68.994688
"172502"	442.87884	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2K-H"	76.91904
"612630"	625.85874	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2K-H"	76.91904
"1099570"	259.89894	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2K-H"	76.91904
"156830"	221.943058	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2K"	77.926316
"596551"	313.433008	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2K"	77.926316
"1082883"	130.453108	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2K"	77.926316
"1110021"	261.913492	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2K+H"	78.933592
"1346405"	262.001107	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+DMSO+H"	79.021207
"1012750"	266.040276	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2ACN+H"	83.060376
"1533061"	267.033908	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+IsoProp+Na+H"	84.054008
"999510"	133.523776	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+2ACN+2H"	84.067652
"1591824"	267.948528	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+K+HCOOH"	84.968628
"1425140"	297.980038	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+CF3COOH"	115.000138
"1153241"	154.037051	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+3ACN+2H"	125.094202
"1702792"	315.006585	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+NH4+CF3COOH"	132.026685
"1642818"	319.96198	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na+CF3COOH"	136.98208
"1579562"	335.93592	"C05689"	"Se-Methyl-L-selenocysteine"	"C4H9NO2Se"	"182.9799"	"M+K+CF3COOH"	152.95602
"809928"	212.019	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M"	0
"981273"	193.00061	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-H2O-H"	-19.01839
"69514"	140.338724	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M-3H"	-3.021828
"507981"	211.011724	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M-3H"	-3.021828
"886876"	69.665724	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-3H"	-3.021828
"4361"	211.011724	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M-2H"	-2.014552
"446109"	317.021224	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M-2H"	-2.014552
"821722"	105.002224	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-2H"	-2.014552
"93625"	423.030724	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M-H"	-1.007276
"522374"	635.049724	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M-H"	-1.007276
"900176"	211.011724	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-H"	-1.007276
"51270"	440.057271	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M-2H+NH4"	16.019271
"501896"	652.076271	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M-2H+NH4"	16.019271
"875199"	228.038271	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-2H+NH4"	16.019271
"45896"	445.012666	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M-2H+Na"	20.974666
"485582"	657.031666	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M-2H+Na"	20.974666
"863263"	232.993666	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-2H+Na"	20.974666
"1632185"	232.993666	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Na-2H"	20.974666
"108720"	229.000063	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M-H+Cl"	33.962126
"547188"	335.009563	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M-H+Cl"	33.962126
"939607"	122.990563	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-H+Cl"	33.962126
"279987"	459.007402	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+Cl"	34.969402
"669491"	671.026402	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+Cl"	34.969402
"1285173"	246.988402	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Cl"	34.969402
"17890"	460.986606	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M-2H+K"	36.948606
"468383"	673.005606	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M-2H+K"	36.948606
"842903"	248.967606	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-2H+K"	36.948606
"1563109"	248.967606	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+K-2H"	36.948606
"950990"	257.017194	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-H+HCOOH"	44.998194
"367018"	469.036201	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+HCOOH-H"	44.998201
"346647"	483.051851	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+Hac-H"	59.013851
"1494264"	271.032851	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Hac-H"	59.013851
"960708"	278.999151	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-H+NaCOOH"	66.980151
"111809"	246.988402	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+2Cl"	69.938804
"559030"	352.997902	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+2Cl"	69.938804
"1028926"	140.978902	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2Cl"	69.938804
"1247410"	290.937885	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Br"	78.918885
"1315328"	292.993872	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Cl+HCOOH"	80.974872
"1320795"	314.975829	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Cl+NaCOOH"	102.956829
"924618"	325.004586	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M-H+CF3COOH"	112.985586
"1300959"	360.981264	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Cl+CF3COOH"	148.962264
"1377661"	177.006324	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H-2H2O"	-35.012676
"1397845"	195.0163	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H-H2O"	-17.0027
"296800"	425.045276	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+H"	1.007276
"688000"	637.064276	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+H"	1.007276
"1364351"	213.026276	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H"	1.007276
"133226"	213.026276	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+2H"	2.014552
"580695"	319.035776	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+2H"	2.014552
"1051437"	107.016776	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2H"	2.014552
"217144"	142.353276	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+3H"	3.021828
"654517"	213.026276	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+3H"	3.021828
"1169361"	71.680276	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+3H"	3.021828
"435912"	442.071823	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+NH4"	18.033823
"791439"	654.090823	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+NH4"	18.033823
"1685947"	230.052823	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+NH4"	18.033823
"334955"	221.5395495	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+H+NH4"	19.041099
"726288"	327.5490495	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+H+NH4"	19.041099
"1480105"	115.5300495	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H+NH4"	19.041099
"395506"	447.027218	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+Na"	22.989218
"755772"	659.046218	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+Na"	22.989218
"1606791"	235.008218	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Na"	22.989218
"319017"	224.017247	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+H+Na"	23.996494
"713627"	330.026747	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+H+Na"	23.996494
"1463798"	118.007747	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H+Na"	23.996494
"1067137"	79.00759	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2H+Na"	25.00377
"1270032"	245.052486	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+CH3OH+H"	33.033486
"387513"	463.001158	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+K"	38.963158
"750698"	675.020158	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+K"	38.963158
"1549470"	250.982158	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+K"	38.963158
"312116"	232.004217	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+H+K"	39.970434
"703441"	338.013717	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+H+K"	39.970434
"1457262"	125.994717	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H+K"	39.970434
"250117"	466.071826	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+ACN+H"	42.033826
"1222946"	254.052826	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+ACN+H"	42.033826
"1201359"	127.530051	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+ACN+2H"	43.041102
"196418"	469.00916	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+2Na-H"	44.97116
"637068"	681.02816	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+2Na-H"	44.97116
"1137292"	256.99016	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2Na-H"	44.97116
"179496"	235.008218	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+2Na"	45.978436
"619783"	341.017718	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+2Na"	45.978436
"1126935"	128.998718	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2Na"	45.978436
"1404997"	86.334904	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H+2Na"	46.985712
"1436019"	259.031746	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H+HCOOH"	47.012746
"224620"	240.04124	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+3H2O+2H"	56.04448
"1513046"	273.08379	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+IsoProp+H"	61.06479
"412731"	242.995188	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+Na+K"	61.952376
"775555"	349.004688	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+Na+K"	61.952376
"1674802"	136.985688	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Na+K"	61.952376
"258409"	488.053768	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+ACN+Na"	64.015768
"1235493"	276.034768	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+ACN+Na"	64.015768
"1726569"	276.058293	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+NH4+HCOOH"	64.039293
"1191921"	93.662218	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+3Na"	68.967654
"1665266"	281.013688	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Na+HCOOH"	68.994688
"171841"	500.95704	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+2K-H"	76.91904
"610429"	712.97604	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+2K-H"	76.91904
"1098833"	288.93804	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2K-H"	76.91904
"156950"	250.982158	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"2M+2K"	77.926316
"596174"	356.991658	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"3M+2K"	77.926316
"1083933"	144.972658	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2K"	77.926316
"1110132"	290.952592	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2K+H"	78.933592
"1347608"	291.040207	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+DMSO+H"	79.021207
"1015049"	295.079376	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2ACN+H"	83.060376
"1532080"	296.073008	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+IsoProp+Na+H"	84.054008
"999620"	148.043326	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+2ACN+2H"	84.067652
"1597402"	296.987628	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+K+HCOOH"	84.968628
"1424157"	327.019138	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+H+CF3COOH"	115.000138
"1154445"	168.556601	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+3ACN+2H"	125.094202
"1705089"	344.045685	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+NH4+CF3COOH"	132.026685
"1645115"	349.00108	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+Na+CF3COOH"	136.98208
"1579672"	364.97502	"C05690"	"Se-Methylselenomethionine"	"C6H14NO2Se"	"212.019"	"M+K+CF3COOH"	152.95602
"803477"	447.0895	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M"	0
"980290"	428.07111	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-H2O-H"	-19.01839
"65249"	297.052390666667	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M-3H"	-3.021828
"506998"	446.082224	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M-3H"	-3.021828
"884800"	148.022557333333	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-3H"	-3.021828
"3378"	446.082224	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M-2H"	-2.014552
"445125"	669.626974	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M-2H"	-2.014552
"821832"	222.537474	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-2H"	-2.014552
"90576"	893.171724	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M-H"	-1.007276
"527952"	1340.261224	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M-H"	-1.007276
"899194"	446.082224	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-H"	-1.007276
"51745"	910.198271	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M-2H+NH4"	16.019271
"502370"	1357.287771	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M-2H+NH4"	16.019271
"877495"	463.108771	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-2H+NH4"	16.019271
"46248"	915.153666	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M-2H+Na"	20.974666
"486426"	1362.243166	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M-2H+Na"	20.974666
"863983"	468.064166	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-2H+Na"	20.974666
"1633388"	468.064166	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Na-2H"	20.974666
"109320"	464.070563	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M-H+Cl"	33.962126
"546205"	687.615313	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M-H+Cl"	33.962126
"939717"	240.525813	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-H+Cl"	33.962126
"280461"	929.148402	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+Cl"	34.969402
"670694"	1376.237902	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+Cl"	34.969402
"1286376"	482.058902	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Cl"	34.969402
"18000"	931.127606	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M-2H+K"	36.948606
"468492"	1378.217106	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M-2H+K"	36.948606
"843013"	484.038106	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-2H+K"	36.948606
"1563219"	484.038106	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+K-2H"	36.948606
"951100"	492.087694	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-H+HCOOH"	44.998194
"366035"	939.177201	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+HCOOH-H"	44.998201
"348824"	953.192851	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+Hac-H"	59.013851
"1495468"	506.103351	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Hac-H"	59.013851
"959484"	514.069651	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-H+NaCOOH"	66.980151
"111554"	482.058902	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+2Cl"	69.938804
"559140"	705.603652	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+2Cl"	69.938804
"1029036"	258.514152	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2Cl"	69.938804
"1247520"	526.008385	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Br"	78.918885
"1313251"	528.064372	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Cl+HCOOH"	80.974872
"1324184"	550.046329	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Cl+NaCOOH"	102.956829
"924366"	560.075086	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M-H+CF3COOH"	112.985586
"1300341"	596.051764	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Cl+CF3COOH"	148.962264
"1377771"	412.076824	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H-2H2O"	-35.012676
"1398160"	430.0868	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H-H2O"	-17.0027
"298451"	895.186276	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+H"	1.007276
"686290"	1342.275776	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+H"	1.007276
"1360448"	448.096776	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H"	1.007276
"136251"	448.096776	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+2H"	2.014552
"578374"	671.641526	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+2H"	2.014552
"1049356"	224.552026	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2H"	2.014552
"216526"	299.066942666667	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+3H"	3.021828
"654992"	448.096776	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+3H"	3.021828
"1173115"	150.037109333333	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+3H"	3.021828
"432742"	912.212823	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+NH4"	18.033823
"790456"	1359.302323	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+NH4"	18.033823
"1687880"	465.123323	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+NH4"	18.033823
"337252"	456.6100495	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+H+NH4"	19.041099
"727491"	680.1547995	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+H+NH4"	19.041099
"1482403"	233.0652995	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H+NH4"	19.041099
"395615"	917.168218	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+Na"	22.989218
"755881"	1364.257718	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+Na"	22.989218
"1605075"	470.078718	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Na"	22.989218
"319127"	459.087747	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+H+Na"	23.996494
"708997"	682.632497	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+H+Na"	23.996494
"1465367"	235.542997	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H+Na"	23.996494
"1065181"	157.364423333333	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2H+Na"	25.00377
"1270871"	480.122986	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+CH3OH+H"	33.033486
"388715"	933.142158	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+K"	38.963158
"750808"	1380.231658	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+K"	38.963158
"1547393"	486.052658	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+K"	38.963158
"311131"	467.074717	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+H+K"	39.970434
"704644"	690.619467	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+H+K"	39.970434
"1459558"	243.529967	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H+K"	39.970434
"250348"	936.212826	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+ACN+H"	42.033826
"1224028"	489.123326	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+ACN+H"	42.033826
"1202562"	245.065301	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+ACN+2H"	43.041102
"198712"	939.15016	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+2Na-H"	44.97116
"634262"	1386.23966	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+2Na-H"	44.97116
"1137402"	492.06066	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2Na-H"	44.97116
"180699"	470.078718	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+2Na"	45.978436
"619893"	693.623468	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+2Na"	45.978436
"1119387"	246.533968	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2Na"	45.978436
"1407295"	164.691737333333	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H+2Na"	46.985712
"1438316"	494.102246	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H+HCOOH"	47.012746
"226917"	475.11174	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+3H2O+2H"	56.04448
"1512792"	508.15429	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+IsoProp+H"	61.06479
"415757"	478.065688	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+Na+K"	61.952376
"776758"	701.610438	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+Na+K"	61.952376
"1677098"	254.520938	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Na+K"	61.952376
"262526"	958.194768	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+ACN+Na"	64.015768
"1234145"	511.105268	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+ACN+Na"	64.015768
"1723395"	511.128793	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+NH4+HCOOH"	64.039293
"1189843"	172.019051333333	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+3Na"	68.967654
"1663015"	516.084188	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Na+HCOOH"	68.994688
"172682"	971.09804	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+2K-H"	76.91904
"611632"	1418.18754	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+2K-H"	76.91904
"1098820"	524.00854	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2K-H"	76.91904
"156965"	486.052658	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"2M+2K"	77.926316
"596283"	709.597408	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"3M+2K"	77.926316
"1083963"	262.507908	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2K"	77.926316
"1113522"	526.023092	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2K+H"	78.933592
"1347718"	526.110707	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+DMSO+H"	79.021207
"1014066"	530.149876	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2ACN+H"	83.060376
"1532189"	531.143508	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+IsoProp+Na+H"	84.054008
"999729"	265.578576	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+2ACN+2H"	84.067652
"1595325"	532.058128	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+K+HCOOH"	84.968628
"1423174"	562.089638	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+H+CF3COOH"	115.000138
"1156742"	286.091851	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+3ACN+2H"	125.094202
"1705199"	579.116185	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+NH4+CF3COOH"	132.026685
"1645225"	584.07158	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+Na+CF3COOH"	136.98208
"1579782"	600.04552	"C05691"	"Se-Adenosylselenomethionine"	"C15H23N6O5Se"	"447.0895"	"M+K+CF3COOH"	152.95602
"801489"	432.066	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M"	0
"979307"	413.04761	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-H2O-H"	-19.01839
"65359"	287.036724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M-3H"	-3.021828
"506015"	431.058724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M-3H"	-3.021828
"882724"	143.014724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-3H"	-3.021828
"2395"	431.058724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M-2H"	-2.014552
"445236"	647.091724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M-2H"	-2.014552
"819391"	215.025724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-2H"	-2.014552
"87406"	863.124724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M-H"	-1.007276
"525876"	1295.190724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M-H"	-1.007276
"897116"	431.058724	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-H"	-1.007276
"50398"	880.151271	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M-2H+NH4"	16.019271
"500898"	1312.217271	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M-2H+NH4"	16.019271
"874325"	448.085271	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-2H+NH4"	16.019271
"42226"	885.106666	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M-2H+Na"	20.974666
"485072"	1317.172666	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M-2H+Na"	20.974666
"859591"	453.040666	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-2H+Na"	20.974666
"1629124"	453.040666	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Na-2H"	20.974666
"106754"	449.047063	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M-H+Cl"	33.962126
"547407"	665.080063	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M-H+Cl"	33.962126
"940556"	233.014063	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-H+Cl"	33.962126
"279113"	899.101402	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+Cl"	34.969402
"670806"	1331.167402	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+Cl"	34.969402
"1284299"	467.035402	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Cl"	34.969402
"26856"	901.080606	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M-2H+K"	36.948606
"468238"	1333.146606	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M-2H+K"	36.948606
"838750"	469.014606	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-2H+K"	36.948606
"1565517"	469.014606	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+K-2H"	36.948606
"947931"	477.064194	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-H+HCOOH"	44.998194
"367240"	909.130201	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+HCOOH-H"	44.998201
"346053"	923.145851	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+Hac-H"	59.013851
"1493633"	491.079851	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Hac-H"	59.013851
"958520"	499.046151	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-H+NaCOOH"	66.980151
"110932"	467.035402	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+2Cl"	69.938804
"557063"	683.068402	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+2Cl"	69.938804
"1026958"	251.002402	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2Cl"	69.938804
"1246537"	510.984885	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Br"	78.918885
"1313361"	513.040872	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Cl+HCOOH"	80.974872
"1328670"	535.022829	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Cl+NaCOOH"	102.956829
"925934"	545.051586	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M-H+CF3COOH"	112.985586
"1300815"	581.028264	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Cl+CF3COOH"	148.962264
"1381291"	397.053324	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H-2H2O"	-35.012676
"1397826"	415.0633	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H-H2O"	-17.0027
"297628"	865.139276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+H"	1.007276
"687128"	1297.205276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+H"	1.007276
"1359465"	433.073276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H"	1.007276
"134539"	433.073276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+2H"	2.014552
"579578"	649.106276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+2H"	2.014552
"1049101"	217.040276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2H"	2.014552
"216636"	289.051276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+3H"	3.021828
"656561"	433.073276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+3H"	3.021828
"1169580"	145.029276	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+3H"	3.021828
"432853"	882.165823	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+NH4"	18.033823
"790567"	1314.231823	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+NH4"	18.033823
"1689084"	450.099823	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+NH4"	18.033823
"338457"	441.5865495	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+H+NH4"	19.041099
"727601"	657.6195495	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+H+NH4"	19.041099
"1483606"	225.5535495	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H+NH4"	19.041099
"395726"	887.121218	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+Na"	22.989218
"754897"	1319.187218	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+Na"	22.989218
"1603484"	455.055218	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Na"	22.989218
"319237"	444.064247	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+H+Na"	23.996494
"711658"	660.097247	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+H+Na"	23.996494
"1465477"	228.031247	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H+Na"	23.996494
"1063104"	152.35659	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2H+Na"	25.00377
"1268062"	465.099486	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+CH3OH+H"	33.033486
"386639"	903.095158	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+K"	38.963158
"748734"	1335.161158	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+K"	38.963158
"1548598"	471.029158	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+K"	38.963158
"310148"	452.051217	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+H+K"	39.970434
"701474"	668.084217	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+H+K"	39.970434
"1458575"	236.018217	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H+K"	39.970434
"248272"	906.165826	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+ACN+H"	42.033826
"1222073"	474.099826	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+ACN+H"	42.033826
"1203765"	237.553551	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+ACN+2H"	43.041102
"195542"	909.10316	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+2Na-H"	44.97116
"634372"	1341.16916	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+2Na-H"	44.97116
"1137512"	477.03716	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2Na-H"	44.97116
"179711"	455.055218	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+2Na"	45.978436
"622553"	671.088218	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+2Na"	45.978436
"1120591"	239.022218	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2Na"	45.978436
"1404116"	159.683904	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H+2Na"	46.985712
"1437328"	479.078746	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H+HCOOH"	47.012746
"229210"	460.08824	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+3H2O+2H"	56.04448
"1512902"	493.13079	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+IsoProp+H"	61.06479
"415867"	463.042188	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+Na+K"	61.952376
"776868"	679.075188	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+Na+K"	61.952376
"1676844"	247.009188	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Na+K"	61.952376
"262638"	928.147768	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+ACN+Na"	64.015768
"1235712"	496.081768	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+ACN+Na"	64.015768
"1724599"	496.105293	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+NH4+HCOOH"	64.039293
"1189951"	167.011218	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+3Na"	68.967654
"1663121"	501.060688	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Na+HCOOH"	68.994688
"166701"	941.05104	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+2K-H"	76.91904
"611376"	1373.11704	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+2K-H"	76.91904
"1099333"	508.98504	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2K-H"	76.91904
"156676"	471.029158	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"2M+2K"	77.926316
"597005"	687.062158	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"3M+2K"	77.926316
"1084030"	254.996158	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2K"	77.926316
"1110352"	510.999592	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2K+H"	78.933592
"1346735"	511.087207	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+DMSO+H"	79.021207
"1011989"	515.126376	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2ACN+H"	83.060376
"1531204"	516.120008	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+IsoProp+Na+H"	84.054008
"999839"	258.066826	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+2ACN+2H"	84.067652
"1594341"	517.034628	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+K+HCOOH"	84.968628
"1419999"	547.066138	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+H+CF3COOH"	115.000138
"1156852"	278.580101	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+3ACN+2H"	125.094202
"1704216"	564.092685	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+NH4+CF3COOH"	132.026685
"1645335"	569.04808	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+Na+CF3COOH"	136.98208
"1579892"	585.02202	"C05692"	"Se-Adenosyl-L-selenohomocysteine;Se-Adenosylselenohomocysteine"	"C14H20N6O5Se"	"432.066"	"M+K+CF3COOH"	152.95602
"809167"	312.0224	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M"	0
"983795"	293.00401	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-H2O-H"	-19.01839
"75319"	207.007657333333	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M-3H"	-3.021828
"511601"	311.015124	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M-3H"	-3.021828
"890498"	103.000190666667	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-3H"	-3.021828
"12719"	311.015124	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M-2H"	-2.014552
"446447"	467.026324	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M-2H"	-2.014552
"824251"	155.003924	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-2H"	-2.014552
"89710"	623.037524	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M-H"	-1.007276
"524894"	935.059924	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M-H"	-1.007276
"905982"	311.015124	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-H"	-1.007276
"61574"	640.064071	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M-2H+NH4"	16.019271
"500647"	952.086471	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M-2H+NH4"	16.019271
"874439"	328.041671	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-2H+NH4"	16.019271
"43801"	645.019466	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M-2H+Na"	20.974666
"484820"	957.041866	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M-2H+Na"	20.974666
"857522"	332.997066	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-2H+Na"	20.974666
"1628150"	332.997066	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Na-2H"	20.974666
"105770"	329.003463	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M-H+Cl"	33.962126
"545332"	485.014663	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M-H+Cl"	33.962126
"930098"	172.992263	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-H+Cl"	33.962126
"271934"	659.014202	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+Cl"	34.969402
"672008"	971.036602	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+Cl"	34.969402
"1284411"	346.991802	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Cl"	34.969402
"21501"	660.993406	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M-2H+K"	36.948606
"461060"	973.015806	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M-2H+K"	36.948606
"841048"	348.971006	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-2H+K"	36.948606
"1565628"	348.971006	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+K-2H"	36.948606
"952416"	357.020594	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-H+HCOOH"	44.998194
"372817"	669.043001	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+HCOOH-H"	44.998201
"353424"	683.058651	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+Hac-H"	59.013851
"1497883"	371.036251	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Hac-H"	59.013851
"966523"	379.002551	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-H+NaCOOH"	66.980151
"124181"	346.991802	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+2Cl"	69.938804
"564471"	503.003002	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+2Cl"	69.938804
"1034737"	190.980602	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2Cl"	69.938804
"1255399"	390.941285	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Br"	78.918885
"1318228"	392.997272	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Cl+HCOOH"	80.974872
"1334753"	414.979229	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Cl+NaCOOH"	102.956829
"926413"	425.007986	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M-H+CF3COOH"	112.985586
"1300936"	460.984664	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Cl+CF3COOH"	148.962264
"1376909"	277.009724	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H-2H2O"	-35.012676
"1391124"	295.0197	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H-H2O"	-17.0027
"295916"	625.052076	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+H"	1.007276
"686878"	937.074476	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+H"	1.007276
"1365782"	313.029676	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H"	1.007276
"135389"	313.029676	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+2H"	2.014552
"577136"	469.040876	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+2H"	2.014552
"1050918"	157.018476	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2H"	2.014552
"215655"	209.022209333333	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+3H"	3.021828
"657039"	313.029676	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+3H"	3.021828
"1175527"	105.014742666667	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+3H"	3.021828
"436249"	642.078623	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+NH4"	18.033823
"798340"	954.101023	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+NH4"	18.033823
"1691758"	330.056223	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+NH4"	18.033823
"342223"	321.5429495	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+H+NH4"	19.041099
"733184"	477.5541495	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+H+NH4"	19.041099
"1488463"	165.5317495	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H+NH4"	19.041099
"405688"	647.034018	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+Na"	22.989218
"763401"	959.056418	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+Na"	22.989218
"1610406"	335.011618	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Na"	22.989218
"324818"	324.020647	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+H+Na"	23.996494
"711778"	480.031847	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+H+Na"	23.996494
"1464870"	168.009447	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H+Na"	23.996494
"1055928"	112.342056666667	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2H+Na"	25.00377
"1261981"	345.055886	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+CH3OH+H"	33.033486
"387847"	663.007958	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+K"	38.963158
"742282"	975.030358	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+K"	38.963158
"1548708"	350.985558	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+K"	38.963158
"309167"	332.007617	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+H+K"	39.970434
"704870"	488.018817	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+H+K"	39.970434
"1458687"	175.996417	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H+K"	39.970434
"250084"	666.078626	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+ACN+H"	42.033826
"1217807"	354.056226	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+ACN+H"	42.033826
"1202786"	177.531751	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+ACN+2H"	43.041102
"192738"	669.01596	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+2Na-H"	44.97116
"636309"	981.03836	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+2Na-H"	44.97116
"1140912"	356.99356	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2Na-H"	44.97116
"180920"	335.011618	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+2Na"	45.978436
"621576"	491.022818	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+2Na"	45.978436
"1125085"	179.000418	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2Na"	45.978436
"1407513"	119.669370666667	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H+2Na"	46.985712
"1433072"	359.035146	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H+HCOOH"	47.012746
"229327"	340.04464	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+3H2O+2H"	56.04448
"1518485"	373.08719	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+IsoProp+H"	61.06479
"419267"	342.998588	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+Na+K"	61.952376
"782818"	499.009788	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+Na+K"	61.952376
"1676599"	186.987388	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Na+K"	61.952376
"263847"	688.060568	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+ACN+Na"	64.015768
"1233638"	376.038168	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+ACN+Na"	64.015768
"1723617"	376.061693	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+NH4+HCOOH"	64.039293
"1190794"	126.996684666667	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+3Na"	68.967654
"1653400"	381.017088	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Na+HCOOH"	68.994688
"167917"	700.96384	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+2K-H"	76.91904
"609663"	1012.98624	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+2K-H"	76.91904
"1097335"	388.94144	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2K-H"	76.91904
"156583"	350.985558	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"2M+2K"	77.926316
"582898"	506.996758	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"3M+2K"	77.926316
"1070324"	194.974358	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2K"	77.926316
"1102071"	390.955992	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2K+H"	78.933592
"1337363"	391.043607	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+DMSO+H"	79.021207
"1006139"	395.082776	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2ACN+H"	83.060376
"1525113"	396.076408	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+IsoProp+Na+H"	84.054008
"990347"	198.045026	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+2ACN+2H"	84.067652
"1588984"	396.991028	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+K+HCOOH"	84.968628
"1416832"	427.022538	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+H+CF3COOH"	115.000138
"1150401"	218.558301	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+3ACN+2H"	125.094202
"1704327"	444.049085	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+NH4+CF3COOH"	132.026685
"1639978"	449.00448	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+Na+CF3COOH"	136.98208
"1572104"	464.97842	"C05695"	"gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine"	"C9H16N2O5Se"	"312.0224"	"M+K+CF3COOH"	152.95602
"810370"	554.9307	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M"	0
"984998"	535.91231	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-H2O-H"	-19.01839
"78335"	368.946524	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M-3H"	-3.021828
"514992"	553.923424	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M-3H"	-3.021828
"893524"	183.969624	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-3H"	-3.021828
"14898"	553.923424	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M-2H"	-2.014552
"452024"	831.388774	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M-2H"	-2.014552
"824361"	276.458074	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-2H"	-2.014552
"89820"	1108.854124	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M-H"	-1.007276
"525005"	1663.784824	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M-H"	-1.007276
"907188"	553.923424	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-H"	-1.007276
"60101"	1125.880671	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M-2H+NH4"	16.019271
"498207"	1680.811371	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M-2H+NH4"	16.019271
"869082"	570.949971	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-2H+NH4"	16.019271
"40265"	1130.836066	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M-2H+Na"	20.974666
"477638"	1685.766766	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M-2H+Na"	20.974666
"857629"	575.905366	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-2H+Na"	20.974666
"1628257"	575.905366	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Na-2H"	20.974666
"103692"	571.911763	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M-H+Cl"	33.962126
"541067"	849.377113	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M-H+Cl"	33.962126
"936767"	294.446413	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-H+Cl"	33.962126
"274231"	1144.830802	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+Cl"	34.969402
"664461"	1699.761502	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+Cl"	34.969402
"1276865"	589.900102	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Cl"	34.969402
"23796"	1146.810006	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M-2H+K"	36.948606
"457889"	1701.740706	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M-2H+K"	36.948606
"840064"	591.879306	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-2H+K"	36.948606
"1562458"	591.879306	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+K-2H"	36.948606
"943779"	599.928894	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-H+HCOOH"	44.998194
"362479"	1154.859601	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+HCOOH-H"	44.998201
"354627"	1168.875251	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+Hac-H"	59.013851
"1500179"	613.944551	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Hac-H"	59.013851
"966633"	621.910851	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-H+NaCOOH"	66.980151
"118820"	589.900102	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+2Cl"	69.938804
"556193"	867.365452	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+2Cl"	69.938804
"1033743"	312.434752	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2Cl"	69.938804
"1255145"	633.849585	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Br"	78.918885
"1319674"	635.905572	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Cl+HCOOH"	80.974872
"1335218"	657.887529	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Cl+NaCOOH"	102.956829
"924692"	667.916286	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M-H+CF3COOH"	112.985586
"1298858"	703.892964	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Cl+CF3COOH"	148.962264
"1382123"	519.918024	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H-2H2O"	-35.012676
"1396339"	537.928	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H-H2O"	-17.0027
"297363"	1110.868676	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+H"	1.007276
"687717"	1665.799376	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+H"	1.007276
"1364432"	555.937976	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H"	1.007276
"135497"	555.937976	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+2H"	2.014552
"577611"	833.403326	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+2H"	2.014552
"1048597"	278.472626	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2H"	2.014552
"215036"	370.961076	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+3H"	3.021828
"656420"	555.937976	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+3H"	3.021828
"1174178"	185.984176	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+3H"	3.021828
"429795"	1127.895223	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+NH4"	18.033823
"798081"	1682.825923	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+NH4"	18.033823
"1694055"	572.964523	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+NH4"	18.033823
"343791"	564.4512495	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+H+NH4"	19.041099
"732930"	841.9165995	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+H+NH4"	19.041099
"1486020"	286.9858995	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H+NH4"	19.041099
"406161"	1132.850618	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+Na"	22.989218
"763511"	1687.781318	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+Na"	22.989218
"1611609"	577.919918	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Na"	22.989218
"327119"	566.928947	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+H+Na"	23.996494
"711888"	844.394297	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+H+Na"	23.996494
"1466073"	289.463597	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H+Na"	23.996494
"1057861"	193.31149	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2H+Na"	25.00377
"1262820"	587.964186	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+CH3OH+H"	33.033486
"384677"	1148.824558	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+K"	38.963158
"748953"	1703.755258	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+K"	38.963158
"1552829"	593.893858	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+K"	38.963158
"310736"	574.915917	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+H+K"	39.970434
"704617"	852.381267	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+H+K"	39.970434
"1459526"	297.450567	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H+K"	39.970434
"248493"	1151.895226	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+ACN+H"	42.033826
"1217917"	596.964526	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+ACN+H"	42.033826
"1202896"	298.985901	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+ACN+2H"	43.041102
"195765"	1154.83256	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+2Na-H"	44.97116
"638606"	1709.76326	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+2Na-H"	44.97116
"1142114"	599.90186	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2Na-H"	44.97116
"185040"	577.919918	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+2Na"	45.978436
"622779"	855.385268	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+2Na"	45.978436
"1125196"	300.454568	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2Na"	45.978436
"1408716"	200.638804	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H+2Na"	46.985712
"1433182"	601.943446	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H+HCOOH"	47.012746
"230167"	582.95294	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+3H2O+2H"	56.04448
"1517501"	615.99549	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+IsoProp+H"	61.06479
"421200"	585.906888	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+Na+K"	61.952376
"782197"	863.372238	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+Na+K"	61.952376
"1677074"	308.441538	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Na+K"	61.952376
"262862"	1173.877168	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+ACN+Na"	64.015768
"1235934"	618.946468	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+ACN+Na"	64.015768
"1726402"	618.969993	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+NH4+HCOOH"	64.039293
"1191757"	207.966118	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+3Na"	68.967654
"1663472"	623.925388	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Na+HCOOH"	68.994688
"166934"	1186.78044	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+2K-H"	76.91904
"610866"	1741.71114	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+2K-H"	76.91904
"1098660"	631.84974	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2K-H"	76.91904
"156900"	593.893858	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"2M+2K"	77.926316
"584102"	871.359208	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"3M+2K"	77.926316
"1074081"	316.428508	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2K"	77.926316
"1101455"	633.864292	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2K+H"	78.933592
"1338570"	633.951907	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+DMSO+H"	79.021207
"1007830"	637.991076	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2ACN+H"	83.060376
"1528142"	638.984708	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+IsoProp+Na+H"	84.054008
"993497"	319.499176	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+2ACN+2H"	84.067652
"1591282"	639.899328	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+K+HCOOH"	84.968628
"1418035"	669.930838	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+H+CF3COOH"	115.000138
"1150512"	340.012451	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+3ACN+2H"	125.094202
"1704437"	686.957385	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+NH4+CF3COOH"	132.026685
"1637901"	691.91278	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+Na+CF3COOH"	136.98208
"1573551"	707.88672	"C05696"	"3-Phosphoadenylylselenate;3-Phosphoadenosine-5-phosphoselenate"	"C10H15N5O13P2Se"	"554.9307"	"M+K+CF3COOH"	152.95602
"810480"	145.9118	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M"	0
"985108"	126.89341	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-H2O-H"	-19.01839
"78453"	96.2672573333333	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M-3H"	-3.021828
"517289"	144.904524	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M-3H"	-3.021828
"894485"	47.6299906666667	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-3H"	-3.021828
"15246"	144.904524	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M-2H"	-2.014552
"452135"	217.860424	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M-2H"	-2.014552
"822282"	71.948624	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-2H"	-2.014552
"83368"	290.816324	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M-H"	-1.007276
"530579"	436.728124	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M-H"	-1.007276
"907660"	144.904524	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-H"	-1.007276
"57295"	307.842871	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M-2H+NH4"	16.019271
"499040"	453.754671	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M-2H+NH4"	16.019271
"872472"	161.931071	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-2H+NH4"	16.019271
"40375"	312.798266	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M-2H+Na"	20.974666
"481028"	458.710066	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M-2H+Na"	20.974666
"861019"	166.886466	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-2H+Na"	20.974666
"1623993"	166.886466	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Na-2H"	20.974666
"104895"	162.892863	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M-H+Cl"	33.962126
"540084"	235.848763	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M-H+Cl"	33.962126
"933599"	89.936963	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-H+Cl"	33.962126
"274341"	326.793002	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+Cl"	34.969402
"664572"	472.704802	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+Cl"	34.969402
"1273938"	180.881202	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Cl"	34.969402
"23906"	328.772206	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M-2H+K"	36.948606
"458120"	474.684006	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M-2H+K"	36.948606
"839081"	182.860406	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-2H+K"	36.948606
"1562568"	182.860406	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+K-2H"	36.948606
"949356"	190.909994	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-H+HCOOH"	44.998194
"366840"	336.821801	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+HCOOH-H"	44.998201
"355830"	350.837451	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+Hac-H"	59.013851
"1501382"	204.925651	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Hac-H"	59.013851
"967836"	212.891951	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-H+NaCOOH"	66.980151
"121117"	180.881202	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+2Cl"	69.938804
"558490"	253.837102	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+2Cl"	69.938804
"1035311"	107.925302	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2Cl"	69.938804
"1255984"	224.830685	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Br"	78.918885
"1319699"	226.886672	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Cl+HCOOH"	80.974872
"1334477"	248.868629	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Cl+NaCOOH"	102.956829
"926259"	258.897386	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M-H+CF3COOH"	112.985586
"1298968"	294.874064	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Cl+CF3COOH"	148.962264
"1382233"	110.899124	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H-2H2O"	-35.012676
"1395719"	128.9091	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H-H2O"	-17.0027
"296135"	292.830876	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+H"	1.007276
"690377"	438.742676	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+H"	1.007276
"1364906"	146.919076	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H"	1.007276
"136700"	146.919076	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+2H"	2.014552
"578448"	219.874976	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+2H"	2.014552
"1051986"	73.963176	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2H"	2.014552
"218063"	98.2818093333333	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+3H"	3.021828
"657987"	146.919076	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+3H"	3.021828
"1175747"	49.6445426666667	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+3H"	3.021828
"429905"	309.857423	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+NH4"	18.033823
"789807"	455.769223	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+NH4"	18.033823
"1695987"	163.945623	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+NH4"	18.033823
"342804"	155.4323495	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+H+NH4"	19.041099
"730122"	228.3882495	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+H+NH4"	19.041099
"1483942"	82.4764495	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H+NH4"	19.041099
"398245"	314.812818	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+Na"	22.989218
"767995"	460.724618	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+Na"	22.989218
"1611719"	168.901018	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Na"	22.989218
"320663"	157.910047	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+H+Na"	23.996494
"716370"	230.865947	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+H+Na"	23.996494
"1468003"	84.954147	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H+Na"	23.996494
"1065258"	56.9718566666667	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2H+Na"	25.00377
"1265114"	178.945286	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+CH3OH+H"	33.033486
"384787"	330.786758	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+K"	38.963158
"749063"	476.698558	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+K"	38.963158
"1553303"	184.874958	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+K"	38.963158
"311210"	165.897017	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+H+K"	39.970434
"703269"	238.852917	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+H+K"	39.970434
"1460365"	92.941117	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H+K"	39.970434
"249695"	333.857426	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+ACN+H"	42.033826
"1222400"	187.945626	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+ACN+H"	42.033826
"1207378"	94.476451	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+ACN+2H"	43.041102
"198060"	336.79476	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+2Na-H"	44.97116
"640902"	482.70656	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+2Na-H"	44.97116
"1145139"	190.88296	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2Na-H"	44.97116
"184420"	168.901018	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+2Na"	45.978436
"619609"	241.856918	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+2Na"	45.978436
"1128950"	95.945118	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2Na"	45.978436
"1411013"	64.2991706666667	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H+2Na"	46.985712
"1433292"	192.924546	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H+HCOOH"	47.012746
"230641"	173.93404	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+3H2O+2H"	56.04448
"1519797"	206.97659	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+IsoProp+H"	61.06479
"421310"	176.887988	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+Na+K"	61.952376
"783036"	249.843888	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+Na+K"	61.952376
"1674631"	103.932088	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Na+K"	61.952376
"264429"	355.839368	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+ACN+Na"	64.015768
"1236776"	209.927568	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+ACN+Na"	64.015768
"1725660"	209.951093	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+NH4+HCOOH"	64.039293
"1193202"	71.6264846666667	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+3Na"	68.967654
"1663458"	214.906488	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Na+HCOOH"	68.994688
"168137"	368.74264	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+2K-H"	76.91904
"606603"	514.65444	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+2K-H"	76.91904
"1094396"	222.83084	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2K-H"	76.91904
"155587"	184.874958	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"2M+2K"	77.926316
"584212"	257.830858	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"3M+2K"	77.926316
"1070910"	111.919058	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2K"	77.926316
"1102658"	224.845392	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2K+H"	78.933592
"1339410"	224.933007	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+DMSO+H"	79.021207
"1009034"	228.972176	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2ACN+H"	83.060376
"1528251"	229.965808	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+IsoProp+Na+H"	84.054008
"994701"	114.989726	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+2ACN+2H"	84.067652
"1589566"	230.880428	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+K+HCOOH"	84.968628
"1418146"	260.911938	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+H+CF3COOH"	115.000138
"1148435"	135.503001	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+3ACN+2H"	125.094202
"1704547"	277.938485	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+NH4+CF3COOH"	132.026685
"1638011"	282.89388	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+Na+CF3COOH"	136.98208
"1571840"	298.86782	"C05697"	"Selenate;Selenic acid"	"H2SeO4"	"145.9118"	"M+K+CF3COOH"	152.95602
"810590"	182.9799	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M"	0
"987405"	163.96151	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-H2O-H"	-19.01839
"76378"	120.979324	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M-3H"	-3.021828
"515213"	181.972624	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M-3H"	-3.021828
"891921"	59.986024	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-3H"	-3.021828
"14141"	181.972624	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H"	-2.014552
"450058"	273.462574	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H"	-2.014552
"825675"	90.482674	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H"	-2.014552
"83478"	364.952524	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M-H"	-1.007276
"530689"	547.932424	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M-H"	-1.007276
"909351"	181.972624	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-H"	-1.007276
"60564"	381.979071	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H+NH4"	16.019271
"498057"	564.958971	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H+NH4"	16.019271
"874769"	198.999171	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H+NH4"	16.019271
"44495"	386.934466	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H+Na"	20.974666
"483325"	569.914366	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H+Na"	20.974666
"860038"	203.954566	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H+Na"	20.974666
"1629573"	203.954566	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na-2H"	20.974666
"107923"	199.960963	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M-H+Cl"	33.962126
"545661"	291.450913	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M-H+Cl"	33.962126
"938081"	108.471013	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+Cl"	33.962126
"274451"	400.929202	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Cl"	34.969402
"665776"	583.909102	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+Cl"	34.969402
"1275994"	217.949302	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl"	34.969402
"25111"	402.908406	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M-2H+K"	36.948606
"466858"	585.888306	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M-2H+K"	36.948606
"845753"	219.928506	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-2H+K"	36.948606
"1569970"	219.928506	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+K-2H"	36.948606
"953841"	227.978094	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+HCOOH"	44.998194
"369868"	410.958001	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+HCOOH-H"	44.998201
"355940"	424.973651	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Hac-H"	59.013851
"1503679"	241.993751	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Hac-H"	59.013851
"967946"	249.960051	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+NaCOOH"	66.980151
"116852"	217.949302	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2Cl"	69.938804
"558600"	309.439252	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2Cl"	69.938804
"1035421"	126.459352	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2Cl"	69.938804
"1255609"	261.898785	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Br"	78.918885
"1318916"	263.954772	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl+HCOOH"	80.974872
"1333495"	285.936729	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl+NaCOOH"	102.956829
"926493"	295.965486	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M-H+CF3COOH"	112.985586
"1303984"	331.942164	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Cl+CF3COOH"	148.962264
"1382648"	147.967224	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H-2H2O"	-35.012676
"1396194"	165.9772	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H-H2O"	-17.0027
"298315"	366.967076	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H"	1.007276
"691304"	549.946976	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H"	1.007276
"1366800"	183.987176	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H"	1.007276
"137174"	183.987176	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2H"	2.014552
"579653"	275.477126	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2H"	2.014552
"1049909"	92.497226	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2H"	2.014552
"218539"	122.993876	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+3H"	3.021828
"657004"	183.987176	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+3H"	3.021828
"1177319"	62.000576	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+3H"	3.021828
"435483"	383.993623	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+NH4"	18.033823
"797572"	566.973523	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+NH4"	18.033823
"1694998"	201.013723	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+NH4"	18.033823
"342552"	192.5004495	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H+NH4"	19.041099
"732419"	283.9903995	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H+NH4"	19.041099
"1484053"	101.0104995	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+NH4"	19.041099
"402733"	388.949018	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Na"	22.989218
"769607"	571.928918	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+Na"	22.989218
"1617175"	205.969118	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na"	22.989218
"321866"	194.978147	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H+Na"	23.996494
"721704"	286.468097	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H+Na"	23.996494
"1473581"	103.488197	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+Na"	23.996494
"1066463"	69.32789	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2H+Na"	25.00377
"1270690"	216.013386	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+CH3OH+H"	33.033486
"387084"	404.922958	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+K"	38.963158
"751361"	587.902858	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+K"	38.963158
"1552320"	221.943058	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+K"	38.963158
"310593"	202.965117	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+H+K"	39.970434
"704473"	294.455067	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+H+K"	39.970434
"1460845"	111.475167	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+K"	39.970434
"250659"	407.993626	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+ACN+H"	42.033826
"1225473"	225.013726	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+ACN+H"	42.033826
"1207488"	113.010501	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+ACN+2H"	43.041102
"202543"	410.93096	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2Na-H"	44.97116
"641012"	593.91086	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2Na-H"	44.97116
"1143425"	227.95106	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2Na-H"	44.97116
"184530"	205.969118	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2Na"	45.978436
"622999"	297.459068	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2Na"	45.978436
"1129790"	114.479168	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2Na"	45.978436
"1413068"	76.655204	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+2Na"	46.985712
"1439961"	229.992646	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+HCOOH"	47.012746
"232937"	211.00214	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+3H2O+2H"	56.04448
"1521372"	244.04469	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+IsoProp+H"	61.06479
"421787"	213.956088	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+Na+K"	61.952376
"783391"	305.446038	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+Na+K"	61.952376
"1676565"	122.466138	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na+K"	61.952376
"263448"	429.975568	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+ACN+Na"	64.015768
"1236887"	246.995668	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+ACN+Na"	64.015768
"1724679"	247.019193	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+NH4+HCOOH"	64.039293
"1191855"	83.982518	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+3Na"	68.967654
"1664787"	251.974588	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na+HCOOH"	68.994688
"168245"	442.87884	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2K-H"	76.91904
"611087"	625.85874	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2K-H"	76.91904
"1098394"	259.89894	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2K-H"	76.91904
"154601"	221.943058	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"2M+2K"	77.926316
"590883"	313.433008	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"3M+2K"	77.926316
"1069926"	130.453108	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2K"	77.926316
"1102042"	261.913492	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2K+H"	78.933592
"1338060"	262.001107	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+DMSO+H"	79.021207
"1007321"	266.040276	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2ACN+H"	83.060376
"1527268"	267.033908	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+IsoProp+Na+H"	84.054008
"993716"	133.523776	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+2ACN+2H"	84.067652
"1591502"	267.948528	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+K+HCOOH"	84.968628
"1420443"	297.980038	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+H+CF3COOH"	115.000138
"1148544"	154.037051	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+3ACN+2H"	125.094202
"1704657"	315.006585	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+NH4+CF3COOH"	132.026685
"1638121"	319.96198	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+Na+CF3COOH"	136.98208
"1572679"	335.93592	"C05698"	"Selenohomocysteine"	"C4H9NO2Se"	"182.9799"	"M+K+CF3COOH"	152.95602
"816823"	270.0119	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M"	0
"984235"	250.99351	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-H2O-H"	-19.01839
"73576"	179.000657333333	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M-3H"	-3.021828
"516780"	269.004624	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M-3H"	-3.021828
"894582"	88.9966906666667	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-3H"	-3.021828
"15564"	269.004624	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M-2H"	-2.014552
"455473"	404.010574	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M-2H"	-2.014552
"830151"	133.998674	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-2H"	-2.014552
"93639"	539.016524	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M-H"	-1.007276
"527521"	809.028424	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M-H"	-1.007276
"904227"	269.004624	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-H"	-1.007276
"59701"	556.043071	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M-2H+NH4"	16.019271
"502058"	826.054971	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M-2H+NH4"	16.019271
"874880"	286.031171	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-2H+NH4"	16.019271
"43515"	560.998466	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M-2H+Na"	20.974666
"483438"	831.010366	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M-2H+Na"	20.974666
"860882"	290.986566	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-2H+Na"	20.974666
"1630780"	290.986566	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Na-2H"	20.974666
"106942"	286.992963	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M-H+Cl"	33.962126
"545773"	421.998913	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M-H+Cl"	33.962126
"939289"	151.987013	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-H+Cl"	33.962126
"274561"	574.993202	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+Cl"	34.969402
"666982"	845.005102	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+Cl"	34.969402
"1283759"	304.981302	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Cl"	34.969402
"24129"	576.972406	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M-2H+K"	36.948606
"466968"	846.984306	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M-2H+K"	36.948606
"845499"	306.960506	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-2H+K"	36.948606
"1570774"	306.960506	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+K-2H"	36.948606
"955047"	315.010094	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-H+HCOOH"	44.998194
"369980"	585.022001	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+HCOOH-H"	44.998201
"357875"	599.037651	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+Hac-H"	59.013851
"1506708"	329.025751	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Hac-H"	59.013851
"970243"	336.992051	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-H+NaCOOH"	66.980151
"125188"	304.981302	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+2Cl"	69.938804
"564427"	439.987252	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+2Cl"	69.938804
"1035896"	169.975352	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2Cl"	69.938804
"1255481"	348.930785	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Br"	78.918885
"1319721"	350.986772	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Cl+HCOOH"	80.974872
"1334944"	372.968729	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Cl+NaCOOH"	102.956829
"926741"	382.997486	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M-H+CF3COOH"	112.985586
"1301375"	418.974164	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Cl+CF3COOH"	148.962264
"1380630"	234.999224	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H-2H2O"	-35.012676
"1398372"	253.0092	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H-H2O"	-17.0027
"298426"	541.031076	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+H"	1.007276
"691135"	811.042976	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+H"	1.007276
"1364395"	271.019176	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H"	1.007276
"140809"	271.019176	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+2H"	2.014552
"579766"	406.025126	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+2H"	2.014552
"1050747"	136.013226	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2H"	2.014552
"217556"	181.015209333333	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+3H"	3.021828
"659302"	271.019176	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+3H"	3.021828
"1177312"	91.0112426666667	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+3H"	3.021828
"435960"	558.057623	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+NH4"	18.033823
"794402"	828.069523	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+NH4"	18.033823
"1692557"	288.045723	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+NH4"	18.033823
"341200"	279.5324495	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+H+NH4"	19.041099
"732530"	414.5383995	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+H+NH4"	19.041099
"1482340"	144.5264995	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H+NH4"	19.041099
"403936"	563.013018	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+Na"	22.989218
"763839"	833.024918	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+Na"	22.989218
"1617406"	293.001118	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Na"	22.989218
"324163"	282.010147	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+H+Na"	23.996494
"721691"	417.016097	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+H+Na"	23.996494
"1471500"	147.004197	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H+Na"	23.996494
"1066934"	98.3385566666667	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2H+Na"	25.00377
"1269706"	303.045386	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+CH3OH+H"	33.033486
"389379"	578.986958	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+K"	38.963158
"753174"	848.998858	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+K"	38.963158
"1555187"	308.975058	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+K"	38.963158
"313619"	289.997117	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+H+K"	39.970434
"706965"	425.003067	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+H+K"	39.970434
"1460835"	154.991167	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H+K"	39.970434
"251319"	582.057626	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+ACN+H"	42.033826
"1220434"	312.045726	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+ACN+H"	42.033826
"1206503"	156.526501	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+ACN+2H"	43.041102
"197185"	584.99496	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+2Na-H"	44.97116
"637842"	855.00686	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+2Na-H"	44.97116
"1140255"	314.98306	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2Na-H"	44.97116
"184640"	293.001118	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+2Na"	45.978436
"627850"	428.007068	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+2Na"	45.978436
"1130264"	157.995168	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2Na"	45.978436
"1412696"	105.665870666667	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H+2Na"	46.985712
"1443717"	317.024646	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H+HCOOH"	47.012746
"234507"	298.03414	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+3H2O+2H"	56.04448
"1522574"	331.07669	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+IsoProp+H"	61.06479
"422260"	300.988088	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+Na+K"	61.952376
"784716"	435.994038	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+Na+K"	61.952376
"1679593"	165.982138	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Na+K"	61.952376
"263194"	604.039568	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+ACN+Na"	64.015768
"1238455"	334.027668	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+ACN+Na"	64.015768
"1727706"	334.051193	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+NH4+HCOOH"	64.039293
"1193180"	112.993184666667	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+3Na"	68.967654
"1665389"	339.006588	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Na+HCOOH"	68.994688
"172002"	616.94284	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+2K-H"	76.91904
"611570"	886.95474	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+2K-H"	76.91904
"1099601"	346.93094	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2K-H"	76.91904
"157028"	308.975058	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"2M+2K"	77.926316
"594273"	443.981008	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"3M+2K"	77.926316
"1075510"	173.969108	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2K"	77.926316
"1105433"	348.945492	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2K+H"	78.933592
"1344006"	349.033107	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+DMSO+H"	79.021207
"1013628"	353.072276	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2ACN+H"	83.060376
"1528474"	354.065908	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+IsoProp+Na+H"	84.054008
"994919"	177.039776	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+2ACN+2H"	84.067652
"1594893"	354.980528	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+K+HCOOH"	84.968628
"1416178"	385.012038	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+H+CF3COOH"	115.000138
"1150842"	197.553051	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+3ACN+2H"	125.094202
"1700395"	402.038585	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+NH4+CF3COOH"	132.026685
"1645887"	406.99398	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+Na+CF3COOH"	136.98208
"1573883"	422.96792	"C05699"	"L-Selenocystathionine"	"C7H14N2O4Se"	"270.0119"	"M+K+CF3COOH"	152.95602
"801394"	199.0246	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M"	0
"984345"	180.00621	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-H2O-H"	-19.01839
"72591"	131.675790666667	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M-3H"	-3.021828
"515430"	198.017324	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M-3H"	-3.021828
"891046"	65.3342573333333	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-3H"	-3.021828
"11809"	198.017324	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M-2H"	-2.014552
"452826"	297.529624	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M-2H"	-2.014552
"830261"	98.505024	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-2H"	-2.014552
"93297"	397.041924	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M-H"	-1.007276
"525444"	596.066524	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M-H"	-1.007276
"899964"	198.017324	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-H"	-1.007276
"50334"	414.068471	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M-2H+NH4"	16.019271
"502411"	613.093071	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M-2H+NH4"	16.019271
"874989"	215.043871	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-2H+NH4"	16.019271
"45082"	419.023866	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M-2H+Na"	20.974666
"485371"	618.048466	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M-2H+Na"	20.974666
"859896"	219.999266	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-2H+Na"	20.974666
"1630159"	219.999266	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Na-2H"	20.974666
"106689"	216.005663	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M-H+Cl"	33.962126
"541508"	315.517963	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M-H+Cl"	33.962126
"939033"	116.493363	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-H+Cl"	33.962126
"274670"	433.018602	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+Cl"	34.969402
"668185"	632.043202	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+Cl"	34.969402
"1280589"	233.994002	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Cl"	34.969402
"27520"	434.997806	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M-2H+K"	36.948606
"467078"	634.022406	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M-2H+K"	36.948606
"843786"	235.973206	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-2H+K"	36.948606
"1566180"	235.973206	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+K-2H"	36.948606
"952969"	244.022794	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-H+HCOOH"	44.998194
"367903"	443.047401	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+HCOOH-H"	44.998201
"357620"	457.063051	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+Hac-H"	59.013851
"1504631"	258.038451	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Hac-H"	59.013851
"968166"	266.004751	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-H+NaCOOH"	66.980151
"120356"	233.994002	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+2Cl"	69.938804
"563197"	333.506302	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+2Cl"	69.938804
"1034911"	134.481702	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2Cl"	69.938804
"1255589"	277.943485	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Br"	78.918885
"1319748"	279.999472	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Cl+HCOOH"	80.974872
"1334687"	301.981429	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Cl+NaCOOH"	102.956829
"926234"	312.010186	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M-H+CF3COOH"	112.985586
"1301486"	347.986864	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Cl+CF3COOH"	148.962264
"1381104"	164.011924	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H-2H2O"	-35.012676
"1397385"	182.0219	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H-H2O"	-17.0027
"297800"	399.056476	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+H"	1.007276
"691160"	598.081076	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+H"	1.007276
"1362317"	200.031876	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H"	1.007276
"139945"	200.031876	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+2H"	2.014552
"580601"	299.544176	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+2H"	2.014552
"1051950"	100.519576	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2H"	2.014552
"218397"	133.690342666667	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+3H"	3.021828
"659048"	200.031876	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+3H"	3.021828
"1176448"	67.3488093333333	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+3H"	3.021828
"437163"	416.083023	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+NH4"	18.033823
"796335"	615.107623	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+NH4"	18.033823
"1692667"	217.058423	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+NH4"	18.033823
"338030"	208.5451495	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+H+NH4"	19.041099
"730453"	308.0574495	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+H+NH4"	19.041099
"1480627"	109.0328495	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H+NH4"	19.041099
"401859"	421.038418	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+Na"	22.989218
"758482"	620.063018	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+Na"	22.989218
"1603904"	222.013818	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Na"	22.989218
"318803"	211.022847	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+H+Na"	23.996494
"720464"	310.535147	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+H+Na"	23.996494
"1471610"	111.510547	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H+Na"	23.996494
"1066802"	74.6761233333333	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2H+Na"	25.00377
"1270909"	232.058086	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+CH3OH+H"	33.033486
"388394"	437.012358	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+K"	38.963158
"752674"	636.036958	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+K"	38.963158
"1554971"	237.987758	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+K"	38.963158
"312999"	219.009817	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+H+K"	39.970434
"705789"	318.522117	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+H+K"	39.970434
"1459609"	119.497517	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H+K"	39.970434
"251163"	440.083026	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+ACN+H"	42.033826
"1218357"	241.058426	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+ACN+H"	42.033826
"1201146"	121.032851	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+ACN+2H"	43.041102
"190004"	443.02036	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+2Na-H"	44.97116
"636858"	642.04496	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+2Na-H"	44.97116
"1140365"	243.99576	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2Na-H"	44.97116
"178191"	222.013818	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+2Na"	45.978436
"626138"	321.526118	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+2Na"	45.978436
"1128914"	122.501518	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2Na"	45.978436
"1411343"	82.0034373333333	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H+2Na"	46.985712
"1442368"	246.037346	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H+HCOOH"	47.012746
"234980"	227.04684	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+3H2O+2H"	56.04448
"1523413"	260.08939	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+IsoProp+H"	61.06479
"422005"	230.000788	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+Na+K"	61.952376
"784826"	329.513088	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+Na+K"	61.952376
"1678976"	130.488488	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Na+K"	61.952376
"265126"	462.064968	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+ACN+Na"	64.015768
"1240995"	263.040368	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+ACN+Na"	64.015768
"1727816"	263.063893	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+NH4+HCOOH"	64.039293
"1192439"	89.3307513333333	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+3Na"	68.967654
"1664884"	268.019288	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Na+HCOOH"	68.994688
"172777"	474.96824	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+2K-H"	76.91904
"612653"	673.99284	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+2K-H"	76.91904
"1099670"	275.94364	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2K-H"	76.91904
"156888"	237.987758	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"2M+2K"	77.926316
"593291"	337.500058	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"3M+2K"	77.926316
"1077806"	138.475458	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2K"	77.926316
"1104451"	277.958192	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2K+H"	78.933592
"1344116"	278.045807	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+DMSO+H"	79.021207
"1013738"	282.084976	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2ACN+H"	83.060376
"1529677"	283.078608	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+IsoProp+Na+H"	84.054008
"992114"	141.546126	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+2ACN+2H"	84.067652
"1589536"	283.993228	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+K+HCOOH"	84.968628
"1414828"	314.024738	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+H+CF3COOH"	115.000138
"1148035"	162.059401	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+3ACN+2H"	125.094202
"1698682"	331.051285	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+NH4+CF3COOH"	132.026685
"1642717"	336.00668	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+Na+CF3COOH"	136.98208
"1573993"	351.98062	"C05702"	"O-Phosphorylhomoserine"	"C4H10NO6P"	"199.0246"	"M+K+CF3COOH"	152.95602
"801807"	95.9478	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M"	0
"984455"	76.92941	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-H2O-H"	-19.01839
"69421"	62.957924	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M-3H"	-3.021828
"514446"	94.940524	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M-3H"	-3.021828
"887876"	30.975324	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-3H"	-3.021828
"14106"	94.940524	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M-2H"	-2.014552
"452570"	142.914424	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M-2H"	-2.014552
"830007"	46.966624	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-2H"	-2.014552
"92313"	190.888324	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M-H"	-1.007276
"525554"	286.836124	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M-H"	-1.007276
"901166"	94.940524	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-H"	-1.007276
"53724"	207.914871	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M-2H+NH4"	16.019271
"501306"	303.862671	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M-2H+NH4"	16.019271
"874006"	111.967071	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-2H+NH4"	16.019271
"44100"	212.870266	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M-2H+Na"	20.974666
"485482"	308.818066	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M-2H+Na"	20.974666
"860735"	116.922466	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-2H+Na"	20.974666
"1629904"	116.922466	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Na-2H"	20.974666
"106798"	112.928863	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M-H+Cl"	33.962126
"539431"	160.902763	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M-H+Cl"	33.962126
"935863"	64.954963	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-H+Cl"	33.962126
"276966"	226.865002	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+Cl"	34.969402
"670481"	322.812802	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+Cl"	34.969402
"1282885"	130.917202	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Cl"	34.969402
"27629"	228.844206	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M-2H+K"	36.948606
"467917"	324.792006	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M-2H+K"	36.948606
"844262"	132.896406	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-2H+K"	36.948606
"1567749"	132.896406	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+K-2H"	36.948606
"954902"	140.945994	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-H+HCOOH"	44.998194
"369107"	236.893801	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+HCOOH-H"	44.998201
"356271"	250.909451	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+Hac-H"	59.013851
"1499636"	154.961651	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Hac-H"	59.013851
"971556"	162.927951	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-H+NaCOOH"	66.980151
"120464"	130.917202	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+2Cl"	69.938804
"563672"	178.891102	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+2Cl"	69.938804
"1036116"	82.943302	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2Cl"	69.938804
"1255699"	174.866685	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Br"	78.918885
"1319614"	176.922672	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Cl+HCOOH"	80.974872
"1335244"	198.904629	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Cl+NaCOOH"	102.956829
"926710"	208.933386	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M-H+CF3COOH"	112.985586
"1301595"	244.910064	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Cl+CF3COOH"	148.962264
"1378662"	60.935124	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H-2H2O"	-35.012676
"1394700"	78.9451	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H-H2O"	-17.0027
"298457"	192.902876	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+H"	1.007276
"690820"	288.850676	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+H"	1.007276
"1364615"	96.955076	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H"	1.007276
"140419"	96.955076	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+2H"	2.014552
"581076"	144.928976	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+2H"	2.014552
"1051819"	48.981176	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2H"	2.014552
"218870"	64.972476	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+3H"	3.021828
"659158"	96.955076	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+3H"	3.021828
"1177648"	32.989876	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+3H"	3.021828
"436909"	209.929423	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+NH4"	18.033823
"794621"	305.877223	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+NH4"	18.033823
"1692048"	113.981623	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+NH4"	18.033823
"337046"	105.4683495	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+H+NH4"	19.041099
"733843"	153.4422495	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+H+NH4"	19.041099
"1480372"	57.4944495	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H+NH4"	19.041099
"396501"	214.884818	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+Na"	22.989218
"756768"	310.832618	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+Na"	22.989218
"1602996"	118.937018	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Na"	22.989218
"318913"	107.946047	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+H+Na"	23.996494
"718993"	155.919947	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+H+Na"	23.996494
"1472813"	59.972147	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H+Na"	23.996494
"1068005"	40.31719	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2H+Na"	25.00377
"1269925"	128.981286	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+CH3OH+H"	33.033486
"388504"	230.858758	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+K"	38.963158
"751690"	326.806558	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+K"	38.963158
"1555080"	134.910958	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+K"	38.963158
"312381"	115.933017	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+H+K"	39.970434
"705897"	163.906917	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+H+K"	39.970434
"1459351"	67.959117	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H+K"	39.970434
"249773"	233.929426	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+ACN+H"	42.033826
"1218467"	137.981626	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+ACN+H"	42.033826
"1200163"	69.494451	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+ACN+2H"	43.041102
"190477"	236.86676	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+2Na-H"	44.97116
"636968"	332.81456	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+2Na-H"	44.97116
"1138288"	140.91896	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2Na-H"	44.97116
"179394"	118.937018	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+2Na"	45.978436
"621143"	166.910918	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+2Na"	45.978436
"1125743"	70.963118	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2Na"	45.978436
"1404892"	47.644504	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H+2Na"	46.985712
"1439195"	142.960546	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H+HCOOH"	47.012746
"228891"	123.97004	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+3H2O+2H"	56.04448
"1512579"	157.01259	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+IsoProp+H"	61.06479
"416641"	126.923988	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+Na+K"	61.952376
"784936"	174.897888	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+Na+K"	61.952376
"1679812"	78.950088	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Na+K"	61.952376
"264872"	255.911368	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+ACN+Na"	64.015768
"1240131"	159.963568	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+ACN+Na"	64.015768
"1726103"	159.987093	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+NH4+HCOOH"	64.039293
"1191820"	54.971818	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+3Na"	68.967654
"1664387"	164.942488	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Na+HCOOH"	68.994688
"170762"	268.81464	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+2K-H"	76.91904
"612393"	364.76244	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+2K-H"	76.91904
"1098968"	172.86684	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2K-H"	76.91904
"154931"	134.910958	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"2M+2K"	77.926316
"595100"	182.884858	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"3M+2K"	77.926316
"1075730"	86.937058	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2K"	77.926316
"1107840"	174.881392	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2K+H"	78.933592
"1343132"	174.969007	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+DMSO+H"	79.021207
"1010568"	179.008176	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2ACN+H"	83.060376
"1529787"	180.001808	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+IsoProp+Na+H"	84.054008
"992953"	90.007726	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+2ACN+2H"	84.067652
"1589646"	180.916428	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+K+HCOOH"	84.968628
"1415422"	210.947938	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+H+CF3COOH"	115.000138
"1148875"	110.521001	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+3ACN+2H"	125.094202
"1698792"	227.974485	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+NH4+CF3COOH"	132.026685
"1642827"	232.92988	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+Na+CF3COOH"	136.98208
"1574103"	248.90382	"C05703"	"Methaneselenol;Methylselenol"	"CH4Se"	"95.9478"	"M+K+CF3COOH"	152.95602
"802646"	335.9128	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M"	0
"984565"	316.89441	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-H2O-H"	-19.01839
"68438"	222.934590666667	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M-3H"	-3.021828
"514556"	334.905524	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M-3H"	-3.021828
"889079"	110.963657333333	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-3H"	-3.021828
"13850"	334.905524	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M-2H"	-2.014552
"452680"	502.861924	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M-2H"	-2.014552
"828295"	166.949124	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-2H"	-2.014552
"92420"	670.818324	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M-H"	-1.007276
"525664"	1006.731124	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M-H"	-1.007276
"898359"	334.905524	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-H"	-1.007276
"52377"	687.844871	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M-2H+NH4"	16.019271
"496311"	1023.757671	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M-2H+NH4"	16.019271
"875210"	351.932071	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-2H+NH4"	16.019271
"44205"	692.800266	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M-2H+Na"	20.974666
"485593"	1028.713066	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M-2H+Na"	20.974666
"860845"	356.887466	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-2H+Na"	20.974666
"1630376"	356.887466	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Na-2H"	20.974666
"106537"	352.893863	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M-H+Cl"	33.962126
"543913"	520.850263	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M-H+Cl"	33.962126
"936333"	184.937463	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-H+Cl"	33.962126
"277075"	706.795002	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+Cl"	34.969402
"666216"	1042.707802	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+Cl"	34.969402
"1284087"	370.882202	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Cl"	34.969402
"26644"	708.774206	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M-2H+K"	36.948606
"461830"	1044.687006	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M-2H+K"	36.948606
"842913"	372.861406	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-2H+K"	36.948606
"1568223"	372.861406	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+K-2H"	36.948606
"956105"	380.910994	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-H+HCOOH"	44.998194
"372497"	716.823801	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+HCOOH-H"	44.998201
"353101"	730.839451	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+Hac-H"	59.013851
"1499746"	394.926651	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Hac-H"	59.013851
"969478"	402.892951	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-H+NaCOOH"	66.980151
"120575"	370.882202	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+2Cl"	69.938804
"561229"	538.838602	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+2Cl"	69.938804
"1033310"	202.925802	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2Cl"	69.938804
"1255081"	414.831685	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Br"	78.918885
"1319726"	416.887672	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Cl+HCOOH"	80.974872
"1335278"	438.869629	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Cl+NaCOOH"	102.956829
"926209"	448.898386	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M-H+CF3COOH"	112.985586
"1301705"	484.875064	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Cl+CF3COOH"	148.962264
"1378772"	300.900124	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H-2H2O"	-35.012676
"1397484"	318.9101	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H-H2O"	-17.0027
"298110"	672.832876	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+H"	1.007276
"690812"	1008.745676	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+H"	1.007276
"1366428"	336.920076	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H"	1.007276
"141217"	336.920076	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+2H"	2.014552
"580095"	504.876476	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+2H"	2.014552
"1052011"	168.963676	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2H"	2.014552
"218981"	224.949142666667	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+3H"	3.021828
"659514"	336.920076	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+3H"	3.021828
"1177883"	112.978209333333	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+3H"	3.021828
"437019"	689.859423	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+NH4"	18.033823
"795824"	1025.772223	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+NH4"	18.033823
"1693252"	353.946623	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+NH4"	18.033823
"338249"	345.4333495	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+H+NH4"	19.041099
"731767"	513.3897495	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+H+NH4"	19.041099
"1483398"	177.4769495	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H+NH4"	19.041099
"396611"	694.814818	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+Na"	22.989218
"761981"	1030.727618	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+Na"	22.989218
"1604609"	358.902018	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Na"	22.989218
"317930"	347.911047	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+H+Na"	23.996494
"720685"	515.867447	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+H+Na"	23.996494
"1472923"	179.954647	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H+Na"	23.996494
"1067144"	120.305523333333	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2H+Na"	25.00377
"1267849"	368.946286	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+CH3OH+H"	33.033486
"388615"	710.788758	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+K"	38.963158
"752533"	1046.701558	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+K"	38.963158
"1552402"	374.875958	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+K"	38.963158
"311036"	355.898017	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+H+K"	39.970434
"705277"	523.854417	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+H+K"	39.970434
"1459099"	187.941617	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H+K"	39.970434
"249517"	713.859426	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+ACN+H"	42.033826
"1219670"	377.946626	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+ACN+H"	42.033826
"1201366"	189.476951	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+ACN+2H"	43.041102
"192045"	716.79676	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+2Na-H"	44.97116
"637078"	1052.70956	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+2Na-H"	44.97116
"1138398"	380.88396	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2Na-H"	44.97116
"181690"	358.902018	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+2Na"	45.978436
"621253"	526.858418	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+2Na"	45.978436
"1126583"	190.945618	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2Na"	45.978436
"1405002"	127.632837333333	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H+2Na"	46.985712
"1439305"	382.925546	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H+HCOOH"	47.012746
"229001"	363.93504	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+3H2O+2H"	56.04448
"1512689"	396.97759	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+IsoProp+H"	61.06479
"420031"	366.888988	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+Na+K"	61.952376
"785293"	534.845388	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+Na+K"	61.952376
"1679557"	198.932588	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Na+K"	61.952376
"265954"	735.841368	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+ACN+Na"	64.015768
"1240363"	399.928568	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+ACN+Na"	64.015768
"1726456"	399.952093	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+NH4+HCOOH"	64.039293
"1191930"	134.960151333333	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+3Na"	68.967654
"1664376"	404.907488	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Na+HCOOH"	68.994688
"171239"	748.74464	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+2K-H"	76.91904
"611897"	1084.65744	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+2K-H"	76.91904
"1099442"	412.83184	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2K-H"	76.91904
"156746"	374.875958	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"2M+2K"	77.926316
"595940"	542.832358	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"3M+2K"	77.926316
"1074746"	206.919558	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2K"	77.926316
"1106857"	414.846392	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2K+H"	78.933592
"1338869"	414.934007	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+DMSO+H"	79.021207
"1010678"	418.973176	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2ACN+H"	83.060376
"1528804"	419.966808	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+IsoProp+Na+H"	84.054008
"994157"	209.990226	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+2ACN+2H"	84.067652
"1589756"	420.881428	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+K+HCOOH"	84.968628
"1415777"	450.912938	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+H+CF3COOH"	115.000138
"1148256"	230.503501	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+3ACN+2H"	125.094202
"1698538"	467.939485	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+NH4+CF3COOH"	132.026685
"1642937"	472.89488	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+Na+CF3COOH"	136.98208
"1574213"	488.86882	"C05704"	"Selenocystine"	"C6H12N2O4Se2"	"335.9128"	"M+K+CF3COOH"	152.95602
"810047"	200.954	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M"	0
"987591"	181.93561	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-H2O-H"	-19.01839
"71827"	132.962057333333	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M-3H"	-3.021828
"516490"	199.946724	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M-3H"	-3.021828
"890283"	65.9773906666667	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-3H"	-3.021828
"13232"	199.946724	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M-2H"	-2.014552
"453884"	300.423724	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M-2H"	-2.014552
"831685"	99.469724	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-2H"	-2.014552
"93951"	400.900724	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M-H"	-1.007276
"522494"	601.854724	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M-H"	-1.007276
"899562"	199.946724	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-H"	-1.007276
"55767"	417.927271	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M-2H+NH4"	16.019271
"496421"	618.881271	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M-2H+NH4"	16.019271
"872039"	216.973271	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-2H+NH4"	16.019271
"43222"	422.882666	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M-2H+Na"	20.974666
"484243"	623.836666	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M-2H+Na"	20.974666
"861319"	221.928666	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-2H+Na"	20.974666
"1629394"	221.928666	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Na-2H"	20.974666
"103367"	217.935063	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M-H+Cl"	33.962126
"546937"	318.412063	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M-H+Cl"	33.962126
"937540"	117.458063	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-H+Cl"	33.962126
"276092"	436.877402	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+Cl"	34.969402
"667419"	637.831402	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+Cl"	34.969402
"1284197"	235.923402	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Cl"	34.969402
"26755"	438.856606	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M-2H+K"	36.948606
"466314"	639.810606	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M-2H+K"	36.948606
"844117"	237.902606	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-2H+K"	36.948606
"1567604"	237.902606	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+K-2H"	36.948606
"956579"	245.952194	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-H+HCOOH"	44.998194
"372607"	446.906201	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+HCOOH-H"	44.998201
"353211"	460.921851	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+Hac-H"	59.013851
"1502043"	259.967851	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Hac-H"	59.013851
"967401"	267.934151	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-H+NaCOOH"	66.980151
"121779"	235.923402	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+2Cl"	69.938804
"562070"	336.400402	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+2Cl"	69.938804
"1032692"	135.446402	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2Cl"	69.938804
"1256044"	279.872885	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Br"	78.918885
"1316542"	281.928872	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Cl+HCOOH"	80.974872
"1335560"	303.910829	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Cl+NaCOOH"	102.956829
"926989"	313.939586	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M-H+CF3COOH"	112.985586
"1301814"	349.916264	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Cl+CF3COOH"	148.962264
"1378882"	165.941324	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H-2H2O"	-35.012676
"1397595"	183.9513	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H-H2O"	-17.0027
"297157"	402.915276	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+H"	1.007276
"690308"	603.869276	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+H"	1.007276
"1366619"	201.961276	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H"	1.007276
"141256"	201.961276	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+2H"	2.014552
"580568"	302.438276	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+2H"	2.014552
"1051555"	101.484276	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2H"	2.014552
"219542"	134.976609333333	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+3H"	3.021828
"658284"	201.961276	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+3H"	3.021828
"1177748"	67.9919426666667	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+3H"	3.021828
"432754"	419.941823	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+NH4"	18.033823
"792655"	620.895823	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+NH4"	18.033823
"1690080"	218.987823	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+NH4"	18.033823
"338359"	210.4745495	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+H+NH4"	19.041099
"734063"	310.9515495	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+H+NH4"	19.041099
"1483508"	109.9975495	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H+NH4"	19.041099
"396721"	424.897218	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+Na"	22.989218
"762091"	625.851218	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+Na"	22.989218
"1603625"	223.943218	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Na"	22.989218
"319133"	212.952247	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+H+Na"	23.996494
"719212"	313.429247	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+H+Na"	23.996494
"1476315"	112.475247	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H+Na"	23.996494
"1068353"	75.3192566666667	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2H+Na"	25.00377
"1270146"	233.987486	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+CH3OH+H"	33.033486
"388725"	440.871158	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+K"	38.963158
"753001"	641.825158	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+K"	38.963158
"1553241"	239.917158	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+K"	38.963158
"312240"	220.939217	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+H+K"	39.970434
"706442"	321.416217	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+H+K"	39.970434
"1460625"	120.462217	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H+K"	39.970434
"249992"	443.941826	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+ACN+H"	42.033826
"1219780"	242.987826	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+ACN+H"	42.033826
"1200383"	121.997551	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+ACN+2H"	43.041102
"192886"	446.87916	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+2Na-H"	44.97116
"637188"	647.83316	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+2Na-H"	44.97116
"1135227"	245.92516	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2Na-H"	44.97116
"177423"	223.943218	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+2Na"	45.978436
"621362"	324.420218	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+2Na"	45.978436
"1123775"	123.466218	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2Na"	45.978436
"1405111"	82.6465706666667	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H+2Na"	46.985712
"1437226"	247.966746	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H+HCOOH"	47.012746
"229111"	228.97624	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+3H2O+2H"	56.04448
"1513891"	262.01879	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+IsoProp+H"	61.06479
"419049"	231.930188	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+Na+K"	61.952376
"785486"	332.407188	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+Na+K"	61.952376
"1680759"	131.453188	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Na+K"	61.952376
"266632"	465.923768	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+ACN+Na"	64.015768
"1241084"	264.969768	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+ACN+Na"	64.015768
"1727658"	264.993293	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+NH4+HCOOH"	64.039293
"1192768"	89.9738846666667	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+3Na"	68.967654
"1665215"	269.948688	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Na+HCOOH"	68.994688
"171353"	478.82704	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+2K-H"	76.91904
"610917"	679.78104	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+2K-H"	76.91904
"1099636"	277.87304	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2K-H"	76.91904
"156736"	239.917158	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"2M+2K"	77.926316
"596542"	340.394158	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"3M+2K"	77.926316
"1073764"	139.440158	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2K"	77.926316
"1103688"	279.887592	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2K+H"	78.933592
"1341166"	279.975207	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+DMSO+H"	79.021207
"1008602"	284.014376	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2ACN+H"	83.060376
"1528915"	285.008008	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+IsoProp+Na+H"	84.054008
"990988"	142.510826	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+2ACN+2H"	84.067652
"1589137"	285.922628	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+K+HCOOH"	84.968628
"1415527"	315.954138	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+H+CF3COOH"	115.000138
"1149096"	163.024101	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+3ACN+2H"	125.094202
"1698649"	332.980685	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+NH4+CF3COOH"	132.026685
"1647422"	337.93608	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+Na+CF3COOH"	136.98208
"1580884"	353.91002	"C05705"	"Selenocysteine seleninic acid;Selenocysteine seleninate;3-Seleninoalanine"	"C3H7NO4Se"	"200.954"	"M+K+CF3COOH"	152.95602
"810157"	224.9904	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M"	0
"988065"	205.97201	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-H2O-H"	-19.01839
"77041"	148.986324	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M-3H"	-3.021828
"513682"	223.983124	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M-3H"	-3.021828
"889301"	73.989524	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-3H"	-3.021828
"13342"	223.983124	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M-2H"	-2.014552
"453630"	336.478324	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M-2H"	-2.014552
"830702"	111.487924	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-2H"	-2.014552
"93490"	448.973524	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M-H"	-1.007276
"522604"	673.963924	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M-H"	-1.007276
"899671"	223.983124	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-H"	-1.007276
"53691"	466.000071	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M-2H+NH4"	16.019271
"495438"	690.990471	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M-2H+NH4"	16.019271
"872149"	241.009671	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-2H+NH4"	16.019271
"42239"	470.955466	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M-2H+Na"	20.974666
"485081"	695.945866	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M-2H+Na"	20.974666
"862884"	245.965066	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-2H+Na"	20.974666
"1631325"	245.965066	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Na-2H"	20.974666
"104570"	241.971463	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M-H+Cl"	33.962126
"547048"	354.466663	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M-H+Cl"	33.962126
"939835"	129.476263	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-H+Cl"	33.962126
"276202"	484.950202	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+Cl"	34.969402
"667529"	709.940602	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+Cl"	34.969402
"1285766"	259.959802	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Cl"	34.969402
"26865"	486.929406	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M-2H+K"	36.948606
"463144"	711.919806	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M-2H+K"	36.948606
"844227"	261.939006	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-2H+K"	36.948606
"1567714"	261.939006	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+K-2H"	36.948606
"957540"	269.988594	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-H+HCOOH"	44.998194
"371623"	494.979001	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+HCOOH-H"	44.998201
"353321"	508.994651	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+Hac-H"	59.013851
"1502153"	284.004251	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Hac-H"	59.013851
"971884"	291.970551	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-H+NaCOOH"	66.980151
"122255"	259.959802	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+2Cl"	69.938804
"561814"	372.455002	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+2Cl"	69.938804
"1032436"	147.464602	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2Cl"	69.938804
"1253112"	303.909285	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Br"	78.918885
"1315193"	305.965272	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Cl+HCOOH"	80.974872
"1335213"	327.947229	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Cl+NaCOOH"	102.956829
"926679"	337.975986	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M-H+CF3COOH"	112.985586
"1303624"	373.952664	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Cl+CF3COOH"	148.962264
"1382439"	189.977724	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H-2H2O"	-35.012676
"1397701"	207.9877	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H-H2O"	-17.0027
"297144"	450.988076	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+H"	1.007276
"691149"	675.978476	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+H"	1.007276
"1361663"	225.997676	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H"	1.007276
"141402"	225.997676	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+2H"	2.014552
"581161"	338.492876	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+2H"	2.014552
"1051662"	113.502476	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2H"	2.014552
"218470"	151.000876	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+3H"	3.021828
"659122"	225.997676	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+3H"	3.021828
"1177613"	76.004076	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+3H"	3.021828
"432864"	468.014623	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+NH4"	18.033823
"796044"	693.005023	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+NH4"	18.033823
"1689096"	243.024223	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+NH4"	18.033823
"331908"	234.5109495	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+H+NH4"	19.041099
"731986"	347.0061495	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+H+NH4"	19.041099
"1477664"	122.0157495	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H+NH4"	19.041099
"393263"	472.970018	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+Na"	22.989218
"758921"	697.960418	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+Na"	22.989218
"1602744"	247.979618	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Na"	22.989218
"319243"	236.988647	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+H+Na"	23.996494
"718229"	349.483847	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+H+Na"	23.996494
"1472051"	124.493447	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H+Na"	23.996494
"1065298"	83.33139	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2H+Na"	25.00377
"1265882"	258.023886	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+CH3OH+H"	33.033486
"389927"	488.943958	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+K"	38.963158
"750923"	713.934358	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+K"	38.963158
"1554441"	263.953558	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+K"	38.963158
"312340"	244.975617	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+H+K"	39.970434
"706714"	357.470817	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+H+K"	39.970434
"1458587"	132.480417	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H+K"	39.970434
"249738"	492.014626	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+ACN+H"	42.033826
"1218797"	267.024226	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+ACN+H"	42.033826
"1198670"	134.015751	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+ACN+2H"	43.041102
"190443"	494.95196	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+2Na-H"	44.97116
"631466"	719.94236	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+2Na-H"	44.97116
"1132295"	269.96156	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2Na-H"	44.97116
"173395"	247.979618	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+2Na"	45.978436
"620379"	360.474818	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+2Na"	45.978436
"1123885"	135.484418	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2Na"	45.978436
"1403398"	90.658704	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H+2Na"	46.985712
"1434056"	272.003146	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H+HCOOH"	47.012746
"228127"	253.01264	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+3H2O+2H"	56.04448
"1509261"	286.05519	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+IsoProp+H"	61.06479
"419887"	255.966588	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+Na+K"	61.952376
"785583"	368.461788	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+Na+K"	61.952376
"1680748"	143.471388	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Na+K"	61.952376
"266979"	513.996568	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+ACN+Na"	64.015768
"1241277"	289.006168	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+ACN+Na"	64.015768
"1727976"	289.029693	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+NH4+HCOOH"	64.039293
"1193895"	97.986018	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+3Na"	68.967654
"1665327"	293.985088	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Na+HCOOH"	68.994688
"171462"	526.89984	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+2K-H"	76.91904
"611755"	751.89024	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+2K-H"	76.91904
"1099661"	301.90944	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2K-H"	76.91904
"156600"	263.953558	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"2M+2K"	77.926316
"596646"	376.448758	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"3M+2K"	77.926316
"1072779"	151.458358	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2K"	77.926316
"1101612"	303.923992	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2K+H"	78.933592
"1336902"	304.011607	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+DMSO+H"	79.021207
"1008712"	308.050776	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2ACN+H"	83.060376
"1527932"	309.044408	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+IsoProp+Na+H"	84.054008
"991462"	154.529026	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+2ACN+2H"	84.067652
"1588883"	309.959028	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+K+HCOOH"	84.968628
"1415637"	339.990538	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+H+CF3COOH"	115.000138
"1149206"	175.042301	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+3ACN+2H"	125.094202
"1700946"	357.017085	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+NH4+CF3COOH"	132.026685
"1646438"	361.97248	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+Na+CF3COOH"	136.98208
"1580994"	377.94642	"C05706"	"Se-Propenylselenocysteine Se-oxide"	"C6H11NO3Se"	"224.9904"	"M+K+CF3COOH"	152.95602
"809174"	363.9441	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M"	0
"984895"	344.92571	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-H2O-H"	-19.01839
"77148"	241.622124	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M-3H"	-3.021828
"514522"	362.936824	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M-3H"	-3.021828
"891596"	120.307424	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-3H"	-3.021828
"13454"	362.936824	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M-2H"	-2.014552
"454469"	544.908874	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M-2H"	-2.014552
"831541"	180.964774	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-2H"	-2.014552
"92630"	726.880924	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M-H"	-1.007276
"528181"	1090.825024	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M-H"	-1.007276
"903794"	362.936824	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-H"	-1.007276
"48455"	743.907471	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M-2H+NH4"	16.019271
"487283"	1107.851571	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M-2H+NH4"	16.019271
"871166"	379.963371	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-2H+NH4"	16.019271
"41255"	748.862866	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M-2H+Na"	20.974666
"483733"	1112.806966	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M-2H+Na"	20.974666
"863723"	384.918766	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-2H+Na"	20.974666
"1632162"	384.918766	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Na-2H"	20.974666
"106868"	380.925163	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M-H+Cl"	33.962126
"548982"	562.897213	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M-H+Cl"	33.962126
"936663"	198.953113	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-H+Cl"	33.962126
"277406"	762.857602	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+Cl"	34.969402
"665452"	1126.801702	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+Cl"	34.969402
"1285147"	398.913502	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Cl"	34.969402
"26974"	764.836806	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M-2H+K"	36.948606
"466534"	1128.780906	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M-2H+K"	36.948606
"844336"	400.892706	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-2H+K"	36.948606
"1567824"	400.892706	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+K-2H"	36.948606
"954612"	408.942294	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-H+HCOOH"	44.998194
"369547"	772.886401	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+HCOOH-H"	44.998201
"356711"	786.902051	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+Hac-H"	59.013851
"1501170"	422.957951	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Hac-H"	59.013851
"971996"	430.924251	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-H+NaCOOH"	66.980151
"121271"	398.913502	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+2Cl"	69.938804
"560465"	580.885552	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+2Cl"	69.938804
"1032545"	216.941452	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2Cl"	69.938804
"1253222"	442.862985	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Br"	78.918885
"1316760"	444.918972	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Cl+HCOOH"	80.974872
"1334752"	466.900929	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Cl+NaCOOH"	102.956829
"924591"	476.929686	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M-H+CF3COOH"	112.985586
"1303127"	512.906364	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Cl+CF3COOH"	148.962264
"1382022"	328.931424	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H-2H2O"	-35.012676
"1396595"	346.9414	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H-H2O"	-17.0027
"296281"	728.895476	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+H"	1.007276
"690529"	1092.839576	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+H"	1.007276
"1361409"	364.951376	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H"	1.007276
"140618"	364.951376	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+2H"	2.014552
"578598"	546.923426	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+2H"	2.014552
"1048490"	182.979326	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2H"	2.014552
"216030"	243.636676	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+3H"	3.021828
"655588"	364.951376	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+3H"	3.021828
"1174077"	122.321976	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+3H"	3.021828
"427507"	745.922023	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+NH4"	18.033823
"786314"	1109.866123	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+NH4"	18.033823
"1681671"	381.977923	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+NH4"	18.033823
"333110"	373.4646495	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+H+NH4"	19.041099
"728815"	555.4366995	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+H+NH4"	19.041099
"1477410"	191.4925995	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H+NH4"	19.041099
"392868"	750.877418	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+Na"	22.989218
"759030"	1114.821518	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+Na"	22.989218
"1603118"	386.933318	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Na"	22.989218
"316072"	375.942347	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+H+Na"	23.996494
"711780"	557.914397	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+H+Na"	23.996494
"1467788"	193.970297	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H+Na"	23.996494
"1063221"	129.64929	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2H+Na"	25.00377
"1264899"	396.977586	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+CH3OH+H"	33.033486
"388944"	766.851358	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+K"	38.963158
"751033"	1130.795458	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+K"	38.963158
"1554187"	402.907258	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+K"	38.963158
"312450"	383.929317	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+H+K"	39.970434
"706906"	565.901367	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+H+K"	39.970434
"1459790"	201.957267	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H+K"	39.970434
"248389"	769.922026	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+ACN+H"	42.033826
"1217814"	405.977926	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+ACN+H"	42.033826
"1198780"	203.492601	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+ACN+2H"	43.041102
"192378"	772.85936	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+2Na-H"	44.97116
"632669"	1136.80346	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+2Na-H"	44.97116
"1132283"	408.91526	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2Na-H"	44.97116
"173096"	386.933318	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+2Na"	45.978436
"619395"	568.905368	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+2Na"	45.978436
"1120715"	204.961268	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2Na"	45.978436
"1400106"	136.976604	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H+2Na"	46.985712
"1437446"	410.956846	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H+HCOOH"	47.012746
"227144"	391.96634	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+3H2O+2H"	56.04448
"1511195"	425.00889	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+IsoProp+H"	61.06479
"420361"	394.920288	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+Na+K"	61.952376
"784648"	576.892338	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+Na+K"	61.952376
"1678794"	212.948238	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Na+K"	61.952376
"266284"	791.903968	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+ACN+Na"	64.015768
"1240086"	427.959868	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+ACN+Na"	64.015768
"1728128"	427.983393	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+NH4+HCOOH"	64.039293
"1192258"	144.303918	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+3Na"	68.967654
"1664340"	432.938788	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Na+HCOOH"	68.994688
"171934"	804.80724	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+2K-H"	76.91904
"611862"	1168.75134	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+2K-H"	76.91904
"1099041"	440.86314	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2K-H"	76.91904
"156831"	402.907258	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"2M+2K"	77.926316
"597046"	584.879308	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"3M+2K"	77.926316
"1075076"	220.935208	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2K"	77.926316
"1101722"	442.877692	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2K+H"	78.933592
"1339199"	442.965307	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+DMSO+H"	79.021207
"1008822"	447.004476	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2ACN+H"	83.060376
"1529135"	447.998108	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+IsoProp+Na+H"	84.054008
"993395"	224.005876	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+2ACN+2H"	84.067652
"1590086"	448.912728	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+K+HCOOH"	84.968628
"1417933"	478.944238	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+H+CF3COOH"	115.000138
"1149316"	244.519151	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+3ACN+2H"	125.094202
"1699963"	495.970785	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+NH4+CF3COOH"	132.026685
"1646548"	500.92618	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+Na+CF3COOH"	136.98208
"1581104"	516.90012	"C05707"	"Selenohomocystine"	"C8H16N2O4Se2"	"363.9441"	"M+K+CF3COOH"	152.95602
"809284"	212.9904	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M"	0
"985005"	193.97201	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-H2O-H"	-19.01839
"76530"	140.986324	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M-3H"	-3.021828
"514996"	211.983124	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M-3H"	-3.021828
"890615"	69.989524	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-3H"	-3.021828
"11014"	211.983124	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M-2H"	-2.014552
"453123"	318.478324	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M-2H"	-2.014552
"828735"	105.487924	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-2H"	-2.014552
"91647"	424.973524	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M-H"	-1.007276
"525011"	637.963924	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M-H"	-1.007276
"906091"	211.983124	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-H"	-1.007276
"58279"	442.000071	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M-2H+NH4"	16.019271
"487226"	654.990471	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M-2H+NH4"	16.019271
"869090"	229.009671	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-2H+NH4"	16.019271
"41365"	446.955466	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M-2H+Na"	20.974666
"483843"	659.945866	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M-2H+Na"	20.974666
"862739"	233.965066	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-2H+Na"	20.974666
"1630815"	233.965066	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Na-2H"	20.974666
"105885"	229.971463	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M-H+Cl"	33.962126
"544717"	336.466663	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M-H+Cl"	33.962126
"934587"	123.476263	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-H+Cl"	33.962126
"276788"	460.950202	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+Cl"	34.969402
"665562"	673.940602	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+Cl"	34.969402
"1284529"	247.959802	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Cl"	34.969402
"27084"	462.929406	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M-2H+K"	36.948606
"466644"	675.919806	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M-2H+K"	36.948606
"841166"	249.939006	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-2H+K"	36.948606
"1564654"	249.939006	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+K-2H"	36.948606
"953629"	257.988594	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-H+HCOOH"	44.998194
"370750"	470.979001	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+HCOOH-H"	44.998201
"352448"	484.994651	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+Hac-H"	59.013851
"1498000"	272.004251	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Hac-H"	59.013851
"970649"	279.970551	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-H+NaCOOH"	66.980151
"122109"	247.959802	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+2Cl"	69.938804
"560575"	354.455002	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+2Cl"	69.938804
"1032291"	141.464602	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2Cl"	69.938804
"1251142"	291.909285	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Br"	78.918885
"1313589"	293.965272	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Cl+HCOOH"	80.974872
"1334013"	315.947229	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Cl+NaCOOH"	102.956829
"923242"	325.975986	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M-H+CF3COOH"	112.985586
"1302998"	361.952664	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Cl+CF3COOH"	148.962264
"1382130"	177.977724	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H-2H2O"	-35.012676
"1397435"	195.9877	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H-H2O"	-17.0027
"294204"	426.988076	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+H"	1.007276
"690395"	639.978476	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+H"	1.007276
"1364435"	213.997676	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H"	1.007276
"140119"	213.997676	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+2H"	2.014552
"579072"	320.492876	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+2H"	2.014552
"1049693"	107.502476	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2H"	2.014552
"217598"	143.000876	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+3H"	3.021828
"654969"	213.997676	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+3H"	3.021828
"1171999"	72.004076	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+3H"	3.021828
"427617"	444.014623	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+NH4"	18.033823
"786667"	657.005023	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+NH4"	18.033823
"1683848"	231.024223	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+NH4"	18.033823
"332127"	222.5109495	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+H+NH4"	19.041099
"734394"	329.0061495	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+H+NH4"	19.041099
"1487121"	116.0157495	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H+NH4"	19.041099
"397052"	448.970018	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+Na"	22.989218
"759140"	661.960418	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+Na"	22.989218
"1604200"	235.979618	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Na"	22.989218
"316182"	224.988647	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+H+Na"	23.996494
"710796"	331.483847	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+H+Na"	23.996494
"1467898"	118.493447	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H+Na"	23.996494
"1062238"	79.33139	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2H+Na"	25.00377
"1265009"	246.023886	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+CH3OH+H"	33.033486
"387961"	464.943958	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+K"	38.963158
"751143"	677.934358	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+K"	38.963158
"1553569"	251.953558	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+K"	38.963158
"309645"	232.975617	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+H+K"	39.970434
"706690"	339.470817	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+H+K"	39.970434
"1459172"	126.480417	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H+K"	39.970434
"248867"	468.014626	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+ACN+H"	42.033826
"1223276"	255.024226	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+ACN+H"	42.033826
"1203995"	128.015751	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+ACN+2H"	43.041102
"195769"	470.95196	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+2Na-H"	44.97116
"632052"	683.94236	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+2Na-H"	44.97116
"1135556"	257.96156	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2Na-H"	44.97116
"176662"	235.979618	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+2Na"	45.978436
"620598"	342.474818	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+2Na"	45.978436
"1120825"	129.484418	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2Na"	45.978436
"1402161"	86.658704	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H+2Na"	46.985712
"1434276"	260.003146	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H+HCOOH"	47.012746
"226161"	241.01264	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+3H2O+2H"	56.04448
"1510941"	274.05519	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+IsoProp+H"	61.06479
"420471"	243.966588	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+Na+K"	61.952376
"784516"	350.461788	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+Na+K"	61.952376
"1680604"	137.471388	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Na+K"	61.952376
"266883"	489.996568	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+ACN+Na"	64.015768
"1240562"	277.006168	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+ACN+Na"	64.015768
"1726652"	277.029693	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+NH4+HCOOH"	64.039293
"1190182"	93.986018	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+3Na"	68.967654
"1665221"	281.985088	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Na+HCOOH"	68.994688
"171679"	502.89984	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+2K-H"	76.91904
"611486"	715.89024	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+2K-H"	76.91904
"1099156"	289.90944	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2K-H"	76.91904
"156901"	251.953558	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"2M+2K"	77.926316
"596625"	358.448758	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"3M+2K"	77.926316
"1082595"	145.458358	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2K"	77.926316
"1101832"	291.923992	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2K+H"	78.933592
"1342590"	292.011607	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+DMSO+H"	79.021207
"1010026"	296.050776	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2ACN+H"	83.060376
"1524989"	297.044408	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+IsoProp+Na+H"	84.054008
"990180"	148.529026	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+2ACN+2H"	84.067652
"1587884"	297.959028	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+K+HCOOH"	84.968628
"1416951"	327.990538	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+H+CF3COOH"	115.000138
"1148697"	169.042301	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+3ACN+2H"	125.094202
"1700073"	345.017085	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+NH4+CF3COOH"	132.026685
"1646658"	349.97248	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+Na+CF3COOH"	136.98208
"1581214"	365.94642	"C05708"	"Selenomethionine Se-oxide"	"C5H11NO3Se"	"212.9904"	"M+K+CF3COOH"	152.95602
"814864"	243.0855	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M"	0
"985117"	224.06711	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-H2O-H"	-19.01839
"75550"	161.049724	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M-3H"	-3.021828
"508551"	242.078224	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M-3H"	-3.021828
"884165"	80.021224	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-3H"	-3.021828
"10393"	242.078224	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M-2H"	-2.014552
"448859"	363.620974	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M-2H"	-2.014552
"823383"	120.535474	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-2H"	-2.014552
"79485"	485.163724	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M-H"	-1.007276
"519897"	728.249224	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M-H"	-1.007276
"897457"	242.078224	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-H"	-1.007276
"48553"	502.190271	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M-2H+NH4"	16.019271
"494679"	745.275771	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M-2H+NH4"	16.019271
"876856"	259.104771	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-2H+NH4"	16.019271
"42569"	507.145666	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M-2H+Na"	20.974666
"485049"	750.231166	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M-2H+Na"	20.974666
"862849"	264.060166	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-2H+Na"	20.974666
"1632383"	264.060166	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Na-2H"	20.974666
"107819"	260.066563	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M-H+Cl"	33.962126
"544462"	381.609313	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M-H+Cl"	33.962126
"938710"	138.523813	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-H+Cl"	33.962126
"278359"	521.140402	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+Cl"	34.969402
"669320"	764.225902	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+Cl"	34.969402
"1284276"	278.054902	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Cl"	34.969402
"21728"	523.119606	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M-2H+K"	36.948606
"464569"	766.205106	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M-2H+K"	36.948606
"840185"	280.034106	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-2H+K"	36.948606
"1565858"	280.034106	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+K-2H"	36.948606
"953740"	288.083694	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-H+HCOOH"	44.998194
"374874"	531.169201	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+HCOOH-H"	44.998201
"354748"	545.184851	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+Hac-H"	59.013851
"1501397"	302.099351	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Hac-H"	59.013851
"970034"	310.065651	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-H+NaCOOH"	66.980151
"122955"	278.054902	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+2Cl"	69.938804
"563974"	399.597652	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+2Cl"	69.938804
"1035324"	156.512152	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2Cl"	69.938804
"1251261"	322.004385	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Br"	78.918885
"1317716"	324.060372	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Cl+HCOOH"	80.974872
"1332666"	346.042329	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Cl+NaCOOH"	102.956829
"924447"	356.071086	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M-H+CF3COOH"	112.985586
"1301524"	392.047764	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Cl+CF3COOH"	148.962264
"1381870"	208.072824	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H-2H2O"	-35.012676
"1396813"	226.0828	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H-H2O"	-17.0027
"297597"	487.178276	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+H"	1.007276
"689654"	730.263776	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+H"	1.007276
"1366369"	244.092776	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H"	1.007276
"139623"	244.092776	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+2H"	2.014552
"580035"	365.635526	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+2H"	2.014552
"1047621"	122.550026	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2H"	2.014552
"214428"	163.064276	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+3H"	3.021828
"655082"	244.092776	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+3H"	3.021828
"1173204"	82.035776	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+3H"	3.021828
"427727"	504.204823	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+NH4"	18.033823
"797472"	747.290323	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+NH4"	18.033823
"1682867"	261.119323	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+NH4"	18.033823
"339894"	252.6060495	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+H+NH4"	19.041099
"730128"	374.1487995	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+H+NH4"	19.041099
"1477629"	131.0632995	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H+NH4"	19.041099
"396067"	509.160218	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+Na"	22.989218
"759253"	752.245718	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+Na"	22.989218
"1604070"	266.074718	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Na"	22.989218
"328817"	255.083747	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+H+Na"	23.996494
"720749"	376.626497	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+H+Na"	23.996494
"1475546"	133.540997	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H+Na"	23.996494
"1067091"	89.36309	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2H+Na"	25.00377
"1269495"	276.118986	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+CH3OH+H"	33.033486
"392086"	525.134158	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+K"	38.963158
"751990"	768.219658	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+K"	38.963158
"1553678"	282.048658	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+K"	38.963158
"312312"	263.070717	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+H+K"	39.970434
"704003"	384.613467	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+H+K"	39.970434
"1457826"	141.527967	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H+K"	39.970434
"244241"	528.204826	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+ACN+H"	42.033826
"1219136"	285.119326	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+ACN+H"	42.033826
"1206293"	143.063301	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+ACN+2H"	43.041102
"198073"	531.14216	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+2Na-H"	44.97116
"636537"	774.22766	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+2Na-H"	44.97116
"1143325"	288.05666	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2Na-H"	44.97116
"177868"	266.074718	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+2Na"	45.978436
"618523"	387.617468	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+2Na"	45.978436
"1120935"	144.531968	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2Na"	45.978436
"1402270"	96.690404	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H+2Na"	46.985712
"1436576"	290.098246	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H+HCOOH"	47.012746
"229552"	271.10774	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+3H2O+2H"	56.04448
"1518711"	304.15029	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+IsoProp+H"	61.06479
"423270"	274.061688	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+Na+K"	61.952376
"783414"	395.604438	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+Na+K"	61.952376
"1680965"	152.518938	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Na+K"	61.952376
"265535"	550.186768	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+ACN+Na"	64.015768
"1240430"	307.101268	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+ACN+Na"	64.015768
"1727003"	307.124793	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+NH4+HCOOH"	64.039293
"1189935"	104.017718	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+3Na"	68.967654
"1662378"	312.080188	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Na+HCOOH"	68.994688
"169602"	563.09004	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+2K-H"	76.91904
"609892"	806.17554	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+2K-H"	76.91904
"1098412"	320.00454	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2K-H"	76.91904
"151219"	282.048658	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"2M+2K"	77.926316
"594061"	403.591408	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"3M+2K"	77.926316
"1079667"	160.505908	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2K"	77.926316
"1100849"	322.019092	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2K+H"	78.933592
"1338326"	322.106707	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+DMSO+H"	79.021207
"1006855"	326.145876	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2ACN+H"	83.060376
"1528256"	327.139508	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+IsoProp+Na+H"	84.054008
"990817"	163.576576	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+2ACN+2H"	84.067652
"1588477"	328.054128	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+K+HCOOH"	84.968628
"1414866"	358.085638	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+H+CF3COOH"	115.000138
"1147126"	184.089851	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+3ACN+2H"	125.094202
"1697180"	375.112185	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+NH4+CF3COOH"	132.026685
"1634859"	380.06758	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+Na+CF3COOH"	136.98208
"1572576"	396.04152	"C05711"	"gamma-Glutamyl-beta-cyanoalanine"	"C9H13N3O5"	"243.0855"	"M+K+CF3COOH"	152.95602
"811693"	70.0531	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M"	0
"978667"	51.03471	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-H2O-H"	-19.01839
"73470"	45.6947906666667	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M-3H"	-3.021828
"513029"	69.045824	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M-3H"	-3.021828
"889740"	22.3437573333333	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-3H"	-3.021828
"1755"	69.045824	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M-2H"	-2.014552
"447878"	104.072374	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M-2H"	-2.014552
"817537"	34.019274	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-2H"	-2.014552
"81297"	139.098924	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M-H"	-1.007276
"518789"	209.152024	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M-H"	-1.007276
"909484"	69.045824	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-H"	-1.007276
"60945"	156.125471	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M-2H+NH4"	16.019271
"498803"	226.178571	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M-2H+NH4"	16.019271
"878062"	86.072371	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-2H+NH4"	16.019271
"41586"	161.080866	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M-2H+Na"	20.974666
"484064"	231.133966	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M-2H+Na"	20.974666
"860772"	91.027766	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-2H+Na"	20.974666
"1631769"	91.027766	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Na-2H"	20.974666
"106836"	87.034163	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M-H+Cl"	33.962126
"548220"	122.060713	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M-H+Cl"	33.962126
"938088"	52.007613	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-H+Cl"	33.962126
"275551"	175.075602	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+Cl"	34.969402
"669063"	245.128702	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+Cl"	34.969402
"1282564"	105.022502	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Cl"	34.969402
"27307"	177.054806	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M-2H+K"	36.948606
"468324"	247.107906	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M-2H+K"	36.948606
"845033"	107.001706	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-2H+K"	36.948606
"1562688"	107.001706	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+K-2H"	36.948606
"949480"	115.051294	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-H+HCOOH"	44.998194
"364418"	185.104401	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+HCOOH-H"	44.998201
"353405"	199.120051	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+Hac-H"	59.013851
"1501510"	129.066951	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Hac-H"	59.013851
"967957"	137.033251	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-H+NaCOOH"	66.980151
"117958"	105.022502	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+2Cl"	69.938804
"558249"	140.049052	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+2Cl"	69.938804
"1032881"	69.995952	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2Cl"	69.938804
"1253554"	148.971985	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Br"	78.918885
"1319283"	151.027972	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Cl+HCOOH"	80.974872
"1333133"	173.009929	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Cl+NaCOOH"	102.956829
"926381"	183.038686	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M-H+CF3COOH"	112.985586
"1294708"	219.015364	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Cl+CF3COOH"	148.962264
"1376148"	35.040424	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H-2H2O"	-35.012676
"1395831"	53.0504	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H-H2O"	-17.0027
"296612"	141.113476	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+H"	1.007276
"683568"	211.166576	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+H"	1.007276
"1363195"	71.060376	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H"	1.007276
"131711"	71.060376	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+2H"	2.014552
"578925"	106.086926	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+2H"	2.014552
"1047726"	36.033826	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2H"	2.014552
"216720"	47.7093426666667	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+3H"	3.021828
"653001"	71.060376	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+3H"	3.021828
"1163836"	24.3583093333333	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+3H"	3.021828
"427840"	158.140023	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+NH4"	18.033823
"796489"	228.193123	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+NH4"	18.033823
"1689541"	88.086923	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+NH4"	18.033823
"343286"	79.5736495	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+H+NH4"	19.041099
"732428"	114.6001995	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+H+NH4"	19.041099
"1489534"	44.5470995	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H+NH4"	19.041099
"408341"	163.095418	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+Na"	22.989218
"767027"	233.148518	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+Na"	22.989218
"1615126"	93.042318	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Na"	22.989218
"326257"	82.051347	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+H+Na"	23.996494
"720745"	117.077897	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+H+Na"	23.996494
"1476836"	47.024797	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H+Na"	23.996494
"1066840"	31.6856233333333	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2H+Na"	25.00377
"1271677"	103.086586	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+CH3OH+H"	33.033486
"389281"	179.069358	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+K"	38.963158
"750278"	249.122458	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+K"	38.963158
"1552330"	109.016258	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+K"	38.963158
"309504"	90.038317	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+H+K"	39.970434
"703021"	125.064867	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+H+K"	39.970434
"1456841"	55.011767	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H+K"	39.970434
"245443"	182.140026	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+ACN+H"	42.033826
"1222521"	112.086926	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+ACN+H"	42.033826
"1205311"	56.547101	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+ACN+2H"	43.041102
"198181"	185.07736	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+2Na-H"	44.97116
"629603"	255.13046	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+2Na-H"	44.97116
"1131853"	115.02426	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2Na-H"	44.97116
"180168"	93.042318	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+2Na"	45.978436
"616811"	128.068868	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+2Na"	45.978436
"1124695"	58.015768	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2Na"	45.978436
"1410771"	39.0129373333333	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H+2Na"	46.985712
"1443983"	117.065846	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H+HCOOH"	47.012746
"233320"	98.07534	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+3H2O+2H"	56.04448
"1521989"	131.11789	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+IsoProp+H"	61.06479
"421800"	101.029288	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+Na+K"	61.952376
"784501"	136.055838	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+Na+K"	61.952376
"1681074"	66.002738	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Na+K"	61.952376
"266379"	204.121968	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+ACN+Na"	64.015768
"1238354"	134.068868	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+ACN+Na"	64.015768
"1723961"	134.092393	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+NH4+HCOOH"	64.039293
"1187126"	46.3402513333333	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+3Na"	68.967654
"1662486"	139.047788	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Na+HCOOH"	68.994688
"169347"	217.02524	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+2K-H"	76.91904
"608181"	287.07834	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+2K-H"	76.91904
"1095606"	146.97214	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2K-H"	76.91904
"152423"	109.016258	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"2M+2K"	77.926316
"584695"	144.042808	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"3M+2K"	77.926316
"1073217"	73.989708	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2K"	77.926316
"1100469"	148.986692	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2K+H"	78.933592
"1337343"	149.074307	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+DMSO+H"	79.021207
"1012434"	153.113476	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2ACN+H"	83.060376
"1530558"	154.107108	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+IsoProp+Na+H"	84.054008
"994818"	77.060376	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+2ACN+2H"	84.067652
"1588953"	155.021728	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+K+HCOOH"	84.968628
"1416073"	185.053238	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+H+CF3COOH"	115.000138
"1147095"	97.573651	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+3ACN+2H"	125.094202
"1698101"	202.079785	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+NH4+CF3COOH"	132.026685
"1634222"	207.03518	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+Na+CF3COOH"	136.98208
"1572689"	223.00912	"C05714"	"alpha-Aminopropiononitrile"	"C3H6N2"	"70.0531"	"M+K+CF3COOH"	152.95602
"808523"	128.0586	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M"	0
"978777"	109.04021	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H2O-H"	-19.01839
"73580"	84.365124	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-3H"	-3.021828
"513139"	127.051324	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-3H"	-3.021828
"885475"	41.678924	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-3H"	-3.021828
"4051"	127.051324	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H"	-2.014552
"444708"	191.080624	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H"	-2.014552
"819228"	63.022024	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H"	-2.014552
"81407"	255.109924	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-H"	-1.007276
"520238"	383.168524	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-H"	-1.007276
"897680"	127.051324	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H"	-1.007276
"47673"	272.136471	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H+NH4"	16.019271
"495994"	400.195071	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H+NH4"	16.019271
"873794"	144.077871	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H+NH4"	16.019271
"31847"	277.091866	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H+Na"	20.974666
"481255"	405.150466	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H+Na"	20.974666
"859059"	149.033266	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H+Na"	20.974666
"1633461"	149.033266	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na-2H"	20.974666
"106218"	145.039663	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-H+Cl"	33.962126
"548330"	209.068963	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-H+Cl"	33.962126
"938199"	81.010363	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+Cl"	33.962126
"276754"	291.086602	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Cl"	34.969402
"668080"	419.145202	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+Cl"	34.969402
"1282674"	163.028002	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl"	34.969402
"26689"	293.065806	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H+K"	36.948606
"468070"	421.124406	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H+K"	36.948606
"844778"	165.007206	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H+K"	36.948606
"1564984"	165.007206	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K-2H"	36.948606
"949590"	173.056794	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+HCOOH"	44.998194
"366714"	301.115401	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+HCOOH-H"	44.998201
"351692"	315.131051	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Hac-H"	59.013851
"1502714"	187.072451	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Hac-H"	59.013851
"966973"	195.038751	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+NaCOOH"	66.980151
"114785"	163.028002	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2Cl"	69.938804
"557629"	227.057302	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2Cl"	69.938804
"1026431"	98.998702	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2Cl"	69.938804
"1248192"	206.977485	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Br"	78.918885
"1313923"	209.033472	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl+HCOOH"	80.974872
"1330327"	231.015429	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl+NaCOOH"	102.956829
"921383"	241.044186	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+CF3COOH"	112.985586
"1297001"	277.020864	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl+CF3COOH"	148.962264
"1372977"	93.045924	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H-2H2O"	-35.012676
"1389381"	111.0559	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H-H2O"	-17.0027
"293440"	257.124476	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H"	1.007276
"683678"	385.183076	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H"	1.007276
"1360025"	129.065876	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H"	1.007276
"131821"	129.065876	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2H"	2.014552
"575755"	193.095176	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2H"	2.014552
"1045650"	65.036576	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2H"	2.014552
"211363"	86.379676	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+3H"	3.021828
"653111"	129.065876	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+3H"	3.021828
"1163216"	43.693476	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+3H"	3.021828
"427950"	274.151023	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+NH4"	18.033823
"791131"	402.209623	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+NH4"	18.033823
"1689651"	146.092423	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+NH4"	18.033823
"342302"	137.5791495	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H+NH4"	19.041099
"729258"	201.6084495	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H+NH4"	19.041099
"1492318"	73.5498495	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+NH4"	19.041099
"408372"	279.106418	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Na"	22.989218
"766044"	407.165018	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+Na"	22.989218
"1616330"	151.047818	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na"	22.989218
"326367"	140.056847	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H+Na"	23.996494
"719883"	204.086147	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H+Na"	23.996494
"1476498"	76.027547	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+Na"	23.996494
"1063669"	51.02079	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2H+Na"	25.00377
"1268627"	161.092086	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+CH3OH+H"	33.033486
"387204"	295.080358	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+K"	38.963158
"748200"	423.138958	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+K"	38.963158
"1551345"	167.021758	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K"	38.963158
"310707"	148.043817	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H+K"	39.970434
"703130"	212.073117	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H+K"	39.970434
"1457676"	84.014517	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+K"	39.970434
"248465"	298.151026	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+ACN+H"	42.033826
"1222631"	170.092426	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+ACN+H"	42.033826
"1199952"	85.549851	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+ACN+2H"	43.041102
"195011"	301.08836	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2Na-H"	44.97116
"634574"	429.14696	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2Na-H"	44.97116
"1133100"	173.02976	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2Na-H"	44.97116
"176267"	151.047818	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2Na"	45.978436
"615098"	215.077118	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2Na"	45.978436
"1123346"	87.018518	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2Na"	45.978436
"1404682"	58.348104	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+2Na"	46.985712
"1443972"	175.071346	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+HCOOH"	47.012746
"233188"	156.08084	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+3H2O+2H"	56.04448
"1521127"	189.12339	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+IsoProp+H"	61.06479
"423248"	159.034788	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Na+K"	61.952376
"784977"	223.064088	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+Na+K"	61.952376
"1680903"	95.005488	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na+K"	61.952376
"266365"	320.132968	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+ACN+Na"	64.015768
"1237008"	192.074368	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+ACN+Na"	64.015768
"1721885"	192.097893	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+NH4+HCOOH"	64.039293
"1189423"	65.675418	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+3Na"	68.967654
"1662233"	197.053288	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na+HCOOH"	68.994688
"169458"	333.03624	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2K-H"	76.91904
"608655"	461.09484	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2K-H"	76.91904
"1095716"	204.97764	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2K-H"	76.91904
"149252"	167.021758	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2K"	77.926316
"586627"	231.051058	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2K"	77.926316
"1069313"	102.992458	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2K"	77.926316
"1103255"	206.992192	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2K+H"	78.933592
"1336844"	207.079807	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+DMSO+H"	79.021207
"1006100"	211.118976	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2ACN+H"	83.060376
"1528477"	212.112608	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+IsoProp+Na+H"	84.054008
"991648"	106.063126	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2ACN+2H"	84.067652
"1588578"	213.027228	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K+HCOOH"	84.968628
"1417275"	243.058738	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+CF3COOH"	115.000138
"1148657"	126.576401	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+3ACN+2H"	125.094202
"1697479"	260.085285	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+NH4+CF3COOH"	132.026685
"1636046"	265.04068	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na+CF3COOH"	136.98208
"1572799"	281.01462	"C05715"	"gamma-Amino-gamma-cyanobutanoate;4-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K+CF3COOH"	152.95602
"811913"	128.0586	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M"	0
"982167"	109.04021	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H2O-H"	-19.01839
"74783"	84.365124	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-3H"	-3.021828
"518458"	127.051324	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-3H"	-3.021828
"888868"	41.678924	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-3H"	-3.021828
"6349"	127.051324	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H"	-2.014552
"444819"	191.080624	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H"	-2.014552
"825900"	63.022024	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H"	-2.014552
"81150"	255.109924	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-H"	-1.007276
"522174"	383.168524	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-H"	-1.007276
"897790"	127.051324	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H"	-1.007276
"47662"	272.136471	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H+NH4"	16.019271
"498658"	400.195071	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H+NH4"	16.019271
"876094"	144.077871	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H+NH4"	16.019271
"35244"	277.091866	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H+Na"	20.974666
"479178"	405.150466	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H+Na"	20.974666
"861721"	149.033266	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H+Na"	20.974666
"1634136"	149.033266	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na-2H"	20.974666
"106328"	145.039663	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-H+Cl"	33.962126
"549134"	209.068963	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-H+Cl"	33.962126
"942568"	81.010363	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+Cl"	33.962126
"282419"	291.086602	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Cl"	34.969402
"672203"	419.145202	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+Cl"	34.969402
"1283148"	163.028002	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl"	34.969402
"28256"	293.065806	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M-2H+K"	36.948606
"465994"	421.124406	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M-2H+K"	36.948606
"843796"	165.007206	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-2H+K"	36.948606
"1565095"	165.007206	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K-2H"	36.948606
"946784"	173.056794	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+HCOOH"	44.998194
"367918"	301.115401	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+HCOOH-H"	44.998201
"359458"	315.131051	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Hac-H"	59.013851
"1502824"	187.072451	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Hac-H"	59.013851
"967085"	195.038751	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+NaCOOH"	66.980151
"120002"	163.028002	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2Cl"	69.938804
"556645"	227.057302	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2Cl"	69.938804
"1032009"	98.998702	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2Cl"	69.938804
"1247213"	206.977485	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Br"	78.918885
"1310756"	209.033472	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl+HCOOH"	80.974872
"1334450"	231.015429	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl+NaCOOH"	102.956829
"924776"	241.044186	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M-H+CF3COOH"	112.985586
"1300028"	277.020864	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Cl+CF3COOH"	148.962264
"1373087"	93.045924	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H-2H2O"	-35.012676
"1389491"	111.0559	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H-H2O"	-17.0027
"293550"	257.124476	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H"	1.007276
"687070"	385.183076	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H"	1.007276
"1360135"	129.065876	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H"	1.007276
"140315"	129.065876	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2H"	2.014552
"578056"	193.095176	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2H"	2.014552
"1047948"	65.036576	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2H"	2.014552
"216944"	86.379676	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+3H"	3.021828
"649943"	129.065876	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+3H"	3.021828
"1168069"	43.693476	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+3H"	3.021828
"428060"	274.151023	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+NH4"	18.033823
"791244"	402.209623	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+NH4"	18.033823
"1681659"	146.092423	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+NH4"	18.033823
"333666"	137.5791495	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H+NH4"	19.041099
"730461"	201.6084495	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H+NH4"	19.041099
"1491218"	73.5498495	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+NH4"	19.041099
"407347"	279.106418	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Na"	22.989218
"767978"	407.165018	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+Na"	22.989218
"1614985"	151.047818	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na"	22.989218
"327209"	140.056847	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H+Na"	23.996494
"716713"	204.086147	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H+Na"	23.996494
"1473814"	76.027547	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+Na"	23.996494
"1060499"	51.02079	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2H+Na"	25.00377
"1266550"	161.092086	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+CH3OH+H"	33.033486
"381117"	295.080358	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+K"	38.963158
"745029"	423.138958	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+K"	38.963158
"1549270"	167.021758	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K"	38.963158
"308630"	148.043817	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+H+K"	39.970434
"701050"	212.073117	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+H+K"	39.970434
"1458878"	84.014517	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+K"	39.970434
"241284"	298.151026	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+ACN+H"	42.033826
"1212169"	170.092426	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+ACN+H"	42.033826
"1194711"	85.549851	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+ACN+2H"	43.041102
"195121"	301.08836	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2Na-H"	44.97116
"630429"	429.14696	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2Na-H"	44.97116
"1133817"	173.02976	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2Na-H"	44.97116
"175282"	151.047818	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2Na"	45.978436
"614477"	215.077118	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2Na"	45.978436
"1120174"	87.018518	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2Na"	45.978436
"1405885"	58.348104	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+2Na"	46.985712
"1438004"	175.071346	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+HCOOH"	47.012746
"229885"	156.08084	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+3H2O+2H"	56.04448
"1522328"	189.12339	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+IsoProp+H"	61.06479
"423843"	159.034788	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+Na+K"	61.952376
"784604"	223.064088	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+Na+K"	61.952376
"1679351"	95.005488	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na+K"	61.952376
"265869"	320.132968	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+ACN+Na"	64.015768
"1237483"	192.074368	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+ACN+Na"	64.015768
"1721995"	192.097893	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+NH4+HCOOH"	64.039293
"1187348"	65.675418	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+3Na"	68.967654
"1662707"	197.053288	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na+HCOOH"	68.994688
"169933"	333.03624	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2K-H"	76.91904
"610221"	461.09484	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2K-H"	76.91904
"1094734"	204.97764	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2K-H"	76.91904
"155195"	167.021758	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"2M+2K"	77.926316
"586737"	231.051058	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"3M+2K"	77.926316
"1071250"	102.992458	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2K"	77.926316
"1103365"	206.992192	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2K+H"	78.933592
"1339751"	207.079807	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+DMSO+H"	79.021207
"1008401"	211.118976	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2ACN+H"	83.060376
"1530778"	212.112608	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+IsoProp+Na+H"	84.054008
"993945"	106.063126	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+2ACN+2H"	84.067652
"1589905"	213.027228	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K+HCOOH"	84.968628
"1415928"	243.058738	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+H+CF3COOH"	115.000138
"1148039"	126.576401	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+3ACN+2H"	125.094202
"1697953"	260.085285	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+NH4+CF3COOH"	132.026685
"1638342"	265.04068	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+Na+CF3COOH"	136.98208
"1572909"	281.01462	"C05717"	"alpha-Amino-gamma-cyanobutanoate;2-Amino-4-cyanobutanoic acid"	"C5H8N2O2"	"128.0586"	"M+K+CF3COOH"	152.95602
"812026"	269.001	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M"	0
"978997"	249.98261	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-H2O-H"	-19.01839
"77690"	178.326724	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M-3H"	-3.021828
"516644"	267.993724	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M-3H"	-3.021828
"890072"	88.659724	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-3H"	-3.021828
"10831"	267.993724	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M-2H"	-2.014552
"455337"	402.494224	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M-2H"	-2.014552
"822729"	133.493224	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-2H"	-2.014552
"91108"	536.994724	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M-H"	-1.007276
"529942"	805.995724	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M-H"	-1.007276
"899360"	267.993724	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-H"	-1.007276
"60302"	554.021271	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M-2H+NH4"	16.019271
"502336"	823.022271	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M-2H+NH4"	16.019271
"878392"	285.020271	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-2H+NH4"	16.019271
"46578"	558.976666	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M-2H+Na"	20.974666
"484396"	827.977666	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M-2H+Na"	20.974666
"856005"	289.975666	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-2H+Na"	20.974666
"1633193"	289.975666	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Na-2H"	20.974666
"109238"	285.982063	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M-H+Cl"	33.962126
"549160"	420.482563	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M-H+Cl"	33.962126
"942685"	151.481563	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-H+Cl"	33.962126
"282613"	572.971402	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+Cl"	34.969402
"675562"	841.972402	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+Cl"	34.969402
"1286905"	303.970402	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Cl"	34.969402
"28732"	574.950606	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M-2H+K"	36.948606
"468289"	843.951606	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M-2H+K"	36.948606
"840625"	305.949606	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-2H+K"	36.948606
"1561925"	305.949606	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+K-2H"	36.948606
"946532"	313.999194	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-H+HCOOH"	44.998194
"364016"	583.000201	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+HCOOH-H"	44.998201
"348630"	597.015851	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+Hac-H"	59.013851
"1497464"	328.014851	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Hac-H"	59.013851
"963912"	335.981151	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-H+NaCOOH"	66.980151
"115009"	303.970402	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+2Cl"	69.938804
"554567"	438.470902	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+2Cl"	69.938804
"1029930"	169.469902	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2Cl"	69.938804
"1242948"	347.919885	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Br"	78.918885
"1306491"	349.975872	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Cl+HCOOH"	80.974872
"1328359"	371.957829	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Cl+NaCOOH"	102.956829
"919420"	381.986586	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M-H+CF3COOH"	112.985586
"1290664"	417.963264	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Cl+CF3COOH"	148.962264
"1373198"	233.988324	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H-2H2O"	-35.012676
"1384134"	251.9983	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H-H2O"	-17.0027
"284185"	539.009276	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+H"	1.007276
"679523"	808.010276	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+H"	1.007276
"1360244"	270.008276	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H"	1.007276
"134228"	270.008276	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+2H"	2.014552
"577070"	404.508776	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+2H"	2.014552
"1042588"	135.507776	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2H"	2.014552
"210493"	180.341276	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+3H"	3.021828
"650054"	270.008276	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+3H"	3.021828
"1170366"	90.674276	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+3H"	3.021828
"427443"	556.035823	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+NH4"	18.033823
"787344"	825.036823	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+NH4"	18.033823
"1682582"	287.034823	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+NH4"	18.033823
"335965"	278.5215495	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+H+NH4"	19.041099
"737141"	413.0220495	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+H+NH4"	19.041099
"1492570"	144.0210495	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H+NH4"	19.041099
"404176"	560.991218	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+Na"	22.989218
"768450"	829.992218	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+Na"	22.989218
"1615457"	291.990218	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Na"	22.989218
"325496"	280.999247	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+H+Na"	23.996494
"717918"	415.499747	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+H+Na"	23.996494
"1471736"	146.498747	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H+Na"	23.996494
"1062795"	98.00159	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2H+Na"	25.00377
"1265568"	302.034486	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+CH3OH+H"	33.033486
"385236"	576.965158	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+K"	38.963158
"744046"	845.966158	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+K"	38.963158
"1547192"	307.964158	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+K"	38.963158
"307645"	288.986217	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+H+K"	39.970434
"700069"	423.486717	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+H+K"	39.970434
"1454982"	154.485717	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H+K"	39.970434
"243581"	580.035826	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+ACN+H"	42.033826
"1217383"	311.034826	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+ACN+H"	42.033826
"1197986"	156.021051	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+ACN+2H"	43.041102
"190129"	582.97316	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+2Na-H"	44.97116
"628959"	851.97416	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+2Na-H"	44.97116
"1132222"	313.97216	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2Na-H"	44.97116
"174298"	291.990218	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+2Na"	45.978436
"621155"	426.490718	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+2Na"	45.978436
"1123569"	157.489718	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2Na"	45.978436
"1407094"	105.328904	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H+2Na"	46.985712
"1445328"	316.013746	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H+HCOOH"	47.012746
"235688"	297.02324	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+3H2O+2H"	56.04448
"1522442"	330.06579	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+IsoProp+H"	61.06479
"421037"	299.977188	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+Na+K"	61.952376
"782031"	434.477688	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+Na+K"	61.952376
"1681187"	165.476688	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Na+K"	61.952376
"263789"	602.017768	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+ACN+Na"	64.015768
"1238321"	333.016768	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+ACN+Na"	64.015768
"1723197"	333.040293	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+NH4+HCOOH"	64.039293
"1189644"	112.656218	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+3Na"	68.967654
"1661722"	337.995688	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Na+HCOOH"	68.994688
"169677"	614.92104	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+2K-H"	76.91904
"609966"	883.92204	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+2K-H"	76.91904
"1094844"	345.92004	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2K-H"	76.91904
"143036"	307.964158	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"2M+2K"	77.926316
"584661"	442.464658	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"3M+2K"	77.926316
"1070630"	173.463658	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2K"	77.926316
"1100681"	347.934592	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2K+H"	78.933592
"1340955"	348.022207	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+DMSO+H"	79.021207
"1010578"	352.061376	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2ACN+H"	83.060376
"1529797"	353.055008	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+IsoProp+Na+H"	84.054008
"992962"	176.534326	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+2ACN+2H"	84.067652
"1589652"	353.969628	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+K+HCOOH"	84.968628
"1415064"	384.001138	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+H+CF3COOH"	115.000138
"1148878"	197.047601	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+3ACN+2H"	125.094202
"1698066"	401.027685	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+NH4+CF3COOH"	132.026685
"1637368"	405.98308	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+Na+CF3COOH"	136.98208
"1576300"	421.95702	"C05720"	"Reduced 26-Dichlorophenolindophenol;26-Dichloro-4-(4-hydroxyphenyl)amino-phenol"	"C12H9Cl2NO2"	"269.001"	"M+K+CF3COOH"	152.95602
"812136"	285.13	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M"	0
"978013"	266.11161	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-H2O-H"	-19.01839
"70629"	189.079390666667	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M-3H"	-3.021828
"513471"	284.122724	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M-3H"	-3.021828
"893462"	94.0360573333333	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-3H"	-3.021828
"10942"	284.122724	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M-2H"	-2.014552
"454512"	426.687724	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M-2H"	-2.014552
"829037"	141.557724	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-2H"	-2.014552
"91216"	569.252724	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M-H"	-1.007276
"530418"	854.382724	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M-H"	-1.007276
"903479"	284.122724	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-H"	-1.007276
"60776"	586.279271	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M-2H+NH4"	16.019271
"501430"	871.409271	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M-2H+NH4"	16.019271
"878503"	301.149271	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-2H+NH4"	16.019271
"46042"	591.234666	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M-2H+Na"	20.974666
"483777"	876.364666	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M-2H+Na"	20.974666
"855021"	306.104666	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-2H+Na"	20.974666
"1629658"	306.104666	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Na-2H"	20.974666
"108498"	302.111063	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M-H+Cl"	33.962126
"548662"	444.676063	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M-H+Cl"	33.962126
"941936"	159.546063	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-H+Cl"	33.962126
"281465"	605.229402	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+Cl"	34.969402
"674611"	890.359402	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+Cl"	34.969402
"1285922"	320.099402	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Cl"	34.969402
"29208"	607.208606	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M-2H+K"	36.948606
"470225"	892.338606	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M-2H+K"	36.948606
"839642"	322.078606	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-2H+K"	36.948606
"1563126"	322.078606	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+K-2H"	36.948606
"945547"	330.128194	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-H+HCOOH"	44.998194
"365584"	615.258201	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+HCOOH-H"	44.998201
"347283"	629.273851	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+Hac-H"	59.013851
"1495388"	344.143851	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Hac-H"	59.013851
"962929"	352.110151	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-H+NaCOOH"	66.980151
"119492"	320.099402	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+2Cl"	69.938804
"555771"	462.664402	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+2Cl"	69.938804
"1030040"	177.534402	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2Cl"	69.938804
"1247433"	364.048885	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Br"	78.918885
"1306236"	366.104872	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Cl+HCOOH"	80.974872
"1330656"	388.086829	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Cl+NaCOOH"	102.956829
"922810"	398.115586	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M-H+CF3COOH"	112.985586
"1294053"	434.092264	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Cl+CF3COOH"	148.962264
"1376588"	250.117324	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H-2H2O"	-35.012676
"1384609"	268.1273	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H-H2O"	-17.0027
"287211"	571.267276	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+H"	1.007276
"682913"	856.397276	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+H"	1.007276
"1362541"	286.137276	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H"	1.007276
"132151"	286.137276	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+2H"	2.014552
"576087"	428.702276	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+2H"	2.014552
"1049261"	143.572276	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2H"	2.014552
"212789"	191.093942666667	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+3H"	3.021828
"647977"	286.137276	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+3H"	3.021828
"1163306"	96.0506093333333	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+3H"	3.021828
"425485"	588.293823	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+NH4"	18.033823
"786115"	873.423823	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+NH4"	18.033823
"1683421"	303.163823	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+NH4"	18.033823
"331335"	294.6505495	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+H+NH4"	19.041099
"736157"	437.2155495	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+H+NH4"	19.041099
"1491070"	152.0855495	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H+NH4"	19.041099
"407440"	593.249218	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+Na"	22.989218
"767462"	878.379218	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+Na"	22.989218
"1615932"	308.119218	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Na"	22.989218
"327795"	297.128247	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+H+Na"	23.996494
"720579"	439.693247	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+H+Na"	23.996494
"1472942"	154.563247	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H+Na"	23.996494
"1063998"	103.377923333333	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2H+Na"	25.00377
"1265678"	318.163486	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+CH3OH+H"	33.033486
"384252"	609.223158	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+K"	38.963158
"743063"	894.353158	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+K"	38.963158
"1546210"	324.093158	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+K"	38.963158
"307755"	305.115217	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+H+K"	39.970434
"701272"	447.680217	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+H+K"	39.970434
"1456184"	162.550217	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H+K"	39.970434
"240411"	612.293826	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+ACN+H"	42.033826
"1217493"	327.163826	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+ACN+H"	42.033826
"1198096"	164.085551	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+ACN+2H"	43.041102
"190239"	615.23116	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+2Na-H"	44.97116
"628702"	900.36116	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+2Na-H"	44.97116
"1131575"	330.10116	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2Na-H"	44.97116
"173680"	308.119218	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+2Na"	45.978436
"621265"	450.684218	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+2Na"	45.978436
"1122585"	165.554218	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2Na"	45.978436
"1410484"	110.705237333333	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H+2Na"	46.985712
"1442965"	332.142746	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H+HCOOH"	47.012746
"235494"	313.15224	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+3H2O+2H"	56.04448
"1523524"	346.19479	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+IsoProp+H"	61.06479
"422237"	316.106188	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+Na+K"	61.952376
"778860"	458.671188	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+Na+K"	61.952376
"1678472"	173.541188	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Na+K"	61.952376
"265356"	634.275768	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+ACN+Na"	64.015768
"1235515"	349.145768	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+ACN+Na"	64.015768
"1721120"	349.169293	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+NH4+HCOOH"	64.039293
"1189754"	118.032551333333	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+3Na"	68.967654
"1662561"	354.124688	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Na+HCOOH"	68.994688
"168693"	647.17904	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+2K-H"	76.91904
"610439"	932.30904	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+2K-H"	76.91904
"1096046"	362.04904	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2K-H"	76.91904
"142053"	324.093158	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"2M+2K"	77.926316
"586958"	466.658158	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"3M+2K"	77.926316
"1069401"	181.528158	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2K"	77.926316
"1103587"	364.063592	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2K+H"	78.933592
"1342159"	364.151207	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+DMSO+H"	79.021207
"1008501"	368.190376	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2ACN+H"	83.060376
"1530999"	369.184008	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+IsoProp+Na+H"	84.054008
"991127"	184.598826	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+2ACN+2H"	84.067652
"1588790"	370.098628	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+K+HCOOH"	84.968628
"1414688"	400.130138	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+H+CF3COOH"	115.000138
"1148015"	205.112101	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+3ACN+2H"	125.094202
"1697325"	417.156685	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+NH4+CF3COOH"	132.026685
"1638571"	422.11208	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+Na+CF3COOH"	136.98208
"1578597"	438.08602	"C05721"	"Leucomethylene blue;Reduced methylene blue"	"C16H19N3S"	"285.13"	"M+K+CF3COOH"	152.95602
"816139"	434.2311	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M"	0
"982502"	415.21271	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-H2O-H"	-19.01839
"78249"	288.480124	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M-3H"	-3.021828
"518213"	433.223824	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M-3H"	-3.021828
"894673"	143.736424	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-3H"	-3.021828
"14229"	433.223824	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M-2H"	-2.014552
"454035"	650.339374	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M-2H"	-2.014552
"832326"	216.108274	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-2H"	-2.014552
"93409"	867.454924	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M-H"	-1.007276
"533464"	1301.686024	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M-H"	-1.007276
"911320"	433.223824	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-H"	-1.007276
"61987"	884.481471	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M-2H+NH4"	16.019271
"498626"	1318.712571	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M-2H+NH4"	16.019271
"878497"	450.250371	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-2H+NH4"	16.019271
"42142"	889.436866	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M-2H+Na"	20.974666
"483890"	1323.667966	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M-2H+Na"	20.974666
"856225"	455.205766	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-2H+Na"	20.974666
"1624666"	455.205766	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Na-2H"	20.974666
"101194"	451.212163	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M-H+Cl"	33.962126
"541847"	668.327713	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M-H+Cl"	33.962126
"935362"	234.096613	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-H+Cl"	33.962126
"281452"	903.431602	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+Cl"	34.969402
"670716"	1337.662702	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+Cl"	34.969402
"1286888"	469.200502	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Cl"	34.969402
"30662"	905.410806	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M-2H+K"	36.948606
"468522"	1339.641906	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M-2H+K"	36.948606
"845959"	471.179706	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-2H+K"	36.948606
"1567626"	471.179706	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+K-2H"	36.948606
"954414"	479.229294	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-H+HCOOH"	44.998194
"373723"	913.460401	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+HCOOH-H"	44.998201
"351048"	927.476051	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+Hac-H"	59.013851
"1498786"	493.244951	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Hac-H"	59.013851
"965236"	501.211251	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-H+NaCOOH"	66.980151
"114143"	469.200502	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+2Cl"	69.938804
"554798"	686.316052	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+2Cl"	69.938804
"1026878"	252.084952	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2Cl"	69.938804
"1247549"	513.149985	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Br"	78.918885
"1307811"	515.205972	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Cl+HCOOH"	80.974872
"1330774"	537.187929	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Cl+NaCOOH"	102.956829
"919646"	547.216686	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M-H+CF3COOH"	112.985586
"1297448"	583.193364	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Cl+CF3COOH"	148.962264
"1381080"	399.218424	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H-2H2O"	-35.012676
"1393107"	417.2284	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H-H2O"	-17.0027
"297167"	869.469476	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+H"	1.007276
"687403"	1303.700576	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+H"	1.007276
"1358284"	435.238376	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H"	1.007276
"133358"	435.238376	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+2H"	2.014552
"567087"	652.353926	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+2H"	2.014552
"1039530"	218.122826	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2H"	2.014552
"206339"	290.494676	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+3H"	3.021828
"649184"	435.238376	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+3H"	3.021828
"1165850"	145.750976	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+3H"	3.021828
"426204"	886.496023	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+NH4"	18.033823
"788293"	1320.727123	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+NH4"	18.033823
"1691190"	452.264923	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+NH4"	18.033823
"344575"	443.7516495	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+H+NH4"	19.041099
"737007"	660.8671995	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+H+NH4"	19.041099
"1490090"	226.6360995	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H+NH4"	19.041099
"405490"	891.451418	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+Na"	22.989218
"763204"	1325.682518	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+Na"	22.989218
"1617136"	457.220318	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Na"	22.989218
"326808"	446.229347	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+H+Na"	23.996494
"718135"	663.344897	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+H+Na"	23.996494
"1475969"	229.113797	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H+Na"	23.996494
"1067514"	153.07829	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2H+Na"	25.00377
"1270893"	467.264586	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+CH3OH+H"	33.033486
"387642"	907.425358	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+K"	38.963158
"748637"	1341.656458	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+K"	38.963158
"1546316"	473.194258	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+K"	38.963158
"306777"	454.216317	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+H+K"	39.970434
"697011"	671.331867	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+H+K"	39.970434
"1448642"	237.100767	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H+K"	39.970434
"236754"	910.496026	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+ACN+H"	42.033826
"1211285"	476.264926	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+ACN+H"	42.033826
"1195660"	238.636101	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+ACN+2H"	43.041102
"194366"	913.43336	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+2Na-H"	44.97116
"632835"	1347.66446	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+2Na-H"	44.97116
"1144970"	479.20226	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2Na-H"	44.97116
"187911"	457.220318	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+2Na"	45.978436
"628398"	674.335868	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+2Na"	45.978436
"1130604"	240.104768	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2Na"	45.978436
"1413847"	160.405604	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H+2Na"	46.985712
"1442357"	481.243846	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H+HCOOH"	47.012746
"230959"	462.25334	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+3H2O+2H"	56.04448
"1519748"	495.29589	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+IsoProp+H"	61.06479
"413602"	465.207288	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+Na+K"	61.952376
"781524"	682.322838	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+Na+K"	61.952376
"1677490"	248.091738	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Na+K"	61.952376
"263283"	932.477968	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+ACN+Na"	64.015768
"1234166"	498.246868	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+ACN+Na"	64.015768
"1721232"	498.270393	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+NH4+HCOOH"	64.039293
"1190228"	167.732918	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+3Na"	68.967654
"1657209"	503.225788	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Na+HCOOH"	68.994688
"161151"	945.38124	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+2K-H"	76.91904
"598524"	1379.61234	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+2K-H"	76.91904
"1085950"	511.15014	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2K-H"	76.91904
"144223"	473.194258	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"2M+2K"	77.926316
"584877"	690.309808	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"3M+2K"	77.926316
"1069996"	256.078708	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2K"	77.926316
"1100533"	513.164692	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2K+H"	78.933592
"1336801"	513.252307	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+DMSO+H"	79.021207
"1007519"	517.291476	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2ACN+H"	83.060376
"1530017"	518.285108	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+IsoProp+Na+H"	84.054008
"1001937"	259.149376	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+2ACN+2H"	84.067652
"1595345"	519.199728	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+K+HCOOH"	84.968628
"1425379"	549.231238	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+H+CF3COOH"	115.000138
"1161747"	279.662651	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+3ACN+2H"	125.094202
"1706315"	566.257785	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+NH4+CF3COOH"	132.026685
"1644151"	571.21318	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+Na+CF3COOH"	136.98208
"1572515"	587.18712	"C05730"	"Glutathionylspermidine;N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine"	"C17H34N6O5S"	"434.2311"	"M+K+CF3COOH"	152.95602
"809080"	340.1006	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M"	0
"982612"	321.08221	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-H2O-H"	-19.01839
"78277"	225.726457333333	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M-3H"	-3.021828
"512605"	339.093324	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M-3H"	-3.021828
"892595"	112.359590666667	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-3H"	-3.021828
"15067"	339.093324	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M-2H"	-2.014552
"452564"	509.143624	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M-2H"	-2.014552
"830975"	169.043024	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-2H"	-2.014552
"92794"	679.193924	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M-H"	-1.007276
"531743"	1019.294524	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M-H"	-1.007276
"910772"	339.093324	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-H"	-1.007276
"60153"	696.220471	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M-2H+NH4"	16.019271
"499589"	1036.321071	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M-2H+NH4"	16.019271
"874352"	356.119871	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-2H+NH4"	16.019271
"42252"	701.175866	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M-2H+Na"	20.974666
"482906"	1041.276466	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M-2H+Na"	20.974666
"857428"	361.075266	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-2H+Na"	20.974666
"1624775"	361.075266	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Na-2H"	20.974666
"102397"	357.081663	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M-H+Cl"	33.962126
"543050"	527.131963	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M-H+Cl"	33.962126
"935472"	187.031363	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-H+Cl"	33.962126
"281688"	715.170602	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+Cl"	34.969402
"669733"	1055.271202	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+Cl"	34.969402
"1286510"	375.070002	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Cl"	34.969402
"29068"	717.149806	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M-2H+K"	36.948606
"469358"	1057.250406	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M-2H+K"	36.948606
"847529"	377.049206	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-2H+K"	36.948606
"1566643"	377.049206	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+K-2H"	36.948606
"956711"	385.098794	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-H+HCOOH"	44.998194
"375657"	725.199401	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+HCOOH-H"	44.998201
"350065"	739.215051	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+Hac-H"	59.013851
"1502176"	399.114451	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Hac-H"	59.013851
"964253"	407.080751	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-H+NaCOOH"	66.980151
"116440"	375.070002	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+2Cl"	69.938804
"557095"	545.120302	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+2Cl"	69.938804
"1033548"	205.019702	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2Cl"	69.938804
"1247659"	419.019485	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Br"	78.918885
"1307921"	421.075472	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Cl+HCOOH"	80.974872
"1330884"	443.057429	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Cl+NaCOOH"	102.956829
"919756"	453.086186	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M-H+CF3COOH"	112.985586
"1297558"	489.062864	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Cl+CF3COOH"	148.962264
"1380825"	305.087924	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H-2H2O"	-35.012676
"1393217"	323.0979	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H-H2O"	-17.0027
"297277"	681.208476	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+H"	1.007276
"687513"	1021.309076	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+H"	1.007276
"1360581"	341.107876	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H"	1.007276
"132375"	341.107876	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+2H"	2.014552
"568655"	511.158176	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+2H"	2.014552
"1041097"	171.057576	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2H"	2.014552
"206447"	227.741009333333	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+3H"	3.021828
"649294"	341.107876	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+3H"	3.021828
"1168514"	114.374142666667	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+3H"	3.021828
"429598"	698.235023	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+NH4"	18.033823
"790595"	1038.335623	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+NH4"	18.033823
"1693490"	358.134423	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+NH4"	18.033823
"341769"	349.6211495	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+H+NH4"	19.041099
"737722"	519.6714495	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+H+NH4"	19.041099
"1490200"	179.5708495	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H+NH4"	19.041099
"402319"	703.190418	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+Na"	22.989218
"760033"	1043.291018	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+Na"	22.989218
"1611413"	363.089818	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Na"	22.989218
"322544"	352.098847	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+H+Na"	23.996494
"717152"	522.149147	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+H+Na"	23.996494
"1474620"	182.048547	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H+Na"	23.996494
"1066044"	121.701456666667	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2H+Na"	25.00377
"1270275"	373.134086	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+CH3OH+H"	33.033486
"391036"	719.164358	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+K"	38.963158
"748748"	1059.264958	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+K"	38.963158
"1550802"	379.063758	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+K"	38.963158
"304699"	360.085817	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+H+K"	39.970434
"694934"	530.136117	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+H+K"	39.970434
"1450943"	190.035517	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H+K"	39.970434
"245014"	722.235026	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+ACN+H"	42.033826
"1218816"	382.134426	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+ACN+H"	42.033826
"1206346"	191.570851	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+ACN+2H"	43.041102
"198853"	725.17236	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+2Na-H"	44.97116
"641209"	1065.27296	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+2Na-H"	44.97116
"1146424"	385.07176	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2Na-H"	44.97116
"186685"	363.089818	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+2Na"	45.978436
"627822"	533.140118	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+2Na"	45.978436
"1130356"	193.039518	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2Na"	45.978436
"1412422"	129.028770666667	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H+2Na"	46.985712
"1442468"	387.113346	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H+HCOOH"	47.012746
"232525"	368.12284	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+3H2O+2H"	56.04448
"1519130"	401.16539	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+IsoProp+H"	61.06479
"414806"	371.076788	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+Na+K"	61.952376
"781634"	541.127088	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+Na+K"	61.952376
"1678694"	201.026488	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Na+K"	61.952376
"263394"	744.216968	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+ACN+Na"	64.015768
"1234277"	404.116368	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+ACN+Na"	64.015768
"1721705"	404.139893	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+NH4+HCOOH"	64.039293
"1189248"	136.356084666667	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+3Na"	68.967654
"1655863"	409.095288	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Na+HCOOH"	68.994688
"161263"	757.12024	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+2K-H"	76.91904
"598751"	1097.22084	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+2K-H"	76.91904
"1086062"	417.01964	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2K-H"	76.91904
"144333"	379.063758	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"2M+2K"	77.926316
"583893"	549.114058	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"3M+2K"	77.926316
"1071689"	209.013458	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2K"	77.926316
"1101979"	419.034192	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2K+H"	78.933592
"1337029"	419.121807	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+DMSO+H"	79.021207
"1006775"	423.160976	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2ACN+H"	83.060376
"1525386"	424.154608	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+IsoProp+Na+H"	84.054008
"996578"	212.084126	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+2ACN+2H"	84.067652
"1597643"	425.069228	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+K+HCOOH"	84.968628
"1425489"	455.100738	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+H+CF3COOH"	115.000138
"1161246"	232.597401	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+3ACN+2H"	125.094202
"1706425"	472.127285	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+NH4+CF3COOH"	132.026685
"1644261"	477.08268	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+Na+CF3COOH"	136.98208
"1572382"	493.05662	"C05731"	"3-Ketosucrose;3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside"	"C12H20O11"	"340.1006"	"M+K+CF3COOH"	152.95602
"802649"	227.0195	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M"	0
"978372"	208.00111	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H2O-H"	-19.01839
"63487"	150.339057333333	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-3H"	-3.021828
"503537"	226.012224	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-3H"	-3.021828
"881786"	74.6658906666667	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-3H"	-3.021828
"2550"	226.012224	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H"	-2.014552
"447579"	339.521974	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H"	-2.014552
"824285"	112.502474	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H"	-2.014552
"83185"	453.031724	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-H"	-1.007276
"522746"	680.051224	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-H"	-1.007276
"900544"	226.012224	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H"	-1.007276
"54923"	470.058271	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+NH4"	16.019271
"492299"	697.077771	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+NH4"	16.019271
"874477"	243.038771	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+NH4"	16.019271
"39098"	475.013666	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+Na"	20.974666
"478656"	702.033166	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+Na"	20.974666
"852084"	247.994166	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+Na"	20.974666
"1619431"	247.994166	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na-2H"	20.974666
"94867"	244.000563	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-H+Cl"	33.962126
"539897"	357.510313	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-H+Cl"	33.962126
"929039"	130.490813	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+Cl"	33.962126
"273063"	489.008402	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Cl"	34.969402
"663298"	716.027902	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+Cl"	34.969402
"1282265"	261.988902	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl"	34.969402
"17165"	490.987606	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M-2H+K"	36.948606
"461100"	718.007106	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M-2H+K"	36.948606
"833309"	263.968106	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-2H+K"	36.948606
"1562390"	263.968106	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K-2H"	36.948606
"946992"	272.017694	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+HCOOH"	44.998194
"364114"	499.037201	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+HCOOH-H"	44.998201
"347995"	513.052851	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Hac-H"	59.013851
"1496095"	286.033351	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Hac-H"	59.013851
"961454"	293.999651	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+NaCOOH"	66.980151
"112185"	261.988902	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Cl"	69.938804
"550773"	375.498652	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Cl"	69.938804
"1021448"	148.479152	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2Cl"	69.938804
"1246325"	305.938385	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Br"	78.918885
"1307679"	307.994372	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+HCOOH"	80.974872
"1322989"	329.976329	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+NaCOOH"	102.956829
"911979"	340.005086	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M-H+CF3COOH"	112.985586
"1288685"	375.981764	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Cl+CF3COOH"	148.962264
"1368310"	192.006824	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H-2H2O"	-35.012676
"1385320"	210.0168	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H-H2O"	-17.0027
"284034"	455.046276	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H"	1.007276
"678519"	682.065776	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H"	1.007276
"1356689"	228.026776	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H"	1.007276
"132503"	228.026776	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2H"	2.014552
"570964"	341.536526	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2H"	2.014552
"1038675"	114.517026	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2H"	2.014552
"206576"	152.353609333333	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+3H"	3.021828
"649422"	228.026776	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+3H"	3.021828
"1169732"	76.6804426666667	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+3H"	3.021828
"429724"	472.072823	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+NH4"	18.033823
"790717"	699.092323	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+NH4"	18.033823
"1691421"	245.053323	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4"	18.033823
"333137"	236.5400495	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+NH4"	19.041099
"729940"	350.0497995	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+NH4"	19.041099
"1483763"	123.0302995	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+NH4"	19.041099
"400253"	477.028218	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Na"	22.989218
"761251"	704.047718	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+Na"	22.989218
"1609347"	250.008718	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na"	22.989218
"318289"	239.017747	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+Na"	23.996494
"709615"	352.527497	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+Na"	23.996494
"1463436"	125.507997	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+Na"	23.996494
"1057775"	84.0077566666667	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2H+Na"	25.00377
"1260550"	260.052986	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+CH3OH+H"	33.033486
"385685"	493.002158	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+K"	38.963158
"743402"	720.021658	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+K"	38.963158
"1545456"	265.982658	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K"	38.963158
"302997"	247.004717	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+H+K"	39.970434
"705267"	360.514467	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+H+K"	39.970434
"1458359"	133.494967	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+K"	39.970434
"244044"	496.072826	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+ACN+H"	42.033826
"1220031"	269.053326	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+H"	42.033826
"1201727"	135.030301	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+2H"	43.041102
"197513"	499.01016	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Na-H"	44.97116
"637439"	726.02966	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Na-H"	44.97116
"1142038"	271.99066	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2Na-H"	44.97116
"186062"	250.008718	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2Na"	45.978436
"622703"	363.518468	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2Na"	45.978436
"1122925"	136.498968	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2Na"	45.978436
"1408637"	91.3350706666667	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+2Na"	46.985712
"1438933"	274.032246	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+HCOOH"	47.012746
"230451"	255.04174	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+3H2O+2H"	56.04448
"1517056"	288.08429	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+IsoProp+H"	61.06479
"417106"	257.995688	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+Na+K"	61.952376
"775919"	371.505438	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+Na+K"	61.952376
"1671159"	144.485938	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+K"	61.952376
"254759"	518.054768	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+ACN+Na"	64.015768
"1230386"	291.035268	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+ACN+Na"	64.015768
"1723652"	291.058793	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4+HCOOH"	64.039293
"1185723"	98.6623846666667	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+3Na"	68.967654
"1663272"	296.014188	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+HCOOH"	68.994688
"164669"	530.95804	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2K-H"	76.91904
"609694"	757.97754	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2K-H"	76.91904
"1094214"	303.93854	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2K-H"	76.91904
"143739"	265.982658	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"2M+2K"	77.926316
"584030"	379.492408	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"3M+2K"	77.926316
"1072916"	152.472908	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2K"	77.926316
"1105033"	305.953092	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2K+H"	78.933592
"1342513"	306.040707	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+DMSO+H"	79.021207
"1008858"	310.079876	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2ACN+H"	83.060376
"1530264"	311.073508	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+IsoProp+Na+H"	84.054008
"998899"	155.543576	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+2ACN+2H"	84.067652
"1597775"	311.988128	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K+HCOOH"	84.968628
"1419061"	342.019638	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+H+CF3COOH"	115.000138
"1147526"	176.056851	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+3ACN+2H"	125.094202
"1708742"	359.046185	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+NH4+CF3COOH"	132.026685
"1637832"	364.00158	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+Na+CF3COOH"	136.98208
"1574579"	379.97552	"C05765"	"L-Glutamyl 1-phosphate;alpha-L-Glutamyl phosphate"	"C5H10NO7P"	"227.0195"	"M+K+CF3COOH"	152.95602
"803123"	836.2752	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M"	0
"978482"	817.25681	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-H2O-H"	-19.01839
"63679"	556.509524	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M-3H"	-3.021828
"503727"	835.267924	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M-3H"	-3.021828
"880921"	277.751124	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-3H"	-3.021828
"1688"	835.267924	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M-2H"	-2.014552
"445502"	1253.405524	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M-2H"	-2.014552
"823301"	417.130324	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-2H"	-2.014552
"84385"	1671.543124	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M-H"	-1.007276
"522852"	2507.818324	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M-H"	-1.007276
"900655"	835.267924	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-H"	-1.007276
"51754"	1688.569671	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M-2H+NH4"	16.019271
"492409"	2524.844871	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M-2H+NH4"	16.019271
"875681"	852.294471	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-2H+NH4"	16.019271
"41395"	1693.525066	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M-2H+Na"	20.974666
"479861"	2529.800266	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M-2H+Na"	20.974666
"851102"	857.249866	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-2H+Na"	20.974666
"1619906"	857.249866	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Na-2H"	20.974666
"95095"	853.256263	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M-H+Cl"	33.962126
"538914"	1271.393863	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M-H+Cl"	33.962126
"932429"	435.118663	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-H+Cl"	33.962126
"275360"	1707.519802	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+Cl"	34.969402
"663408"	2543.795002	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+Cl"	34.969402
"1283465"	871.244602	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Cl"	34.969402
"18368"	1709.499006	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M-2H+K"	36.948606
"464490"	2545.774206	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M-2H+K"	36.948606
"833299"	873.223806	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-2H+K"	36.948606
"1560313"	873.223806	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+K-2H"	36.948606
"947102"	881.273394	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-H+HCOOH"	44.998194
"366411"	1717.548601	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+HCOOH-H"	44.998201
"349198"	1731.564251	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+Hac-H"	59.013851
"1495840"	895.289051	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Hac-H"	59.013851
"963384"	903.255351	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-H+NaCOOH"	66.980151
"112294"	871.244602	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+2Cl"	69.938804
"551249"	1289.382202	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+2Cl"	69.938804
"1021747"	453.107002	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2Cl"	69.938804
"1246435"	915.194085	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Br"	78.918885
"1308519"	917.250072	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Cl+HCOOH"	80.974872
"1320913"	939.232029	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Cl+NaCOOH"	102.956829
"911723"	949.260786	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M-H+CF3COOH"	112.985586
"1288605"	985.237464	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Cl+CF3COOH"	148.962264
"1367568"	801.262524	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H-2H2O"	-35.012676
"1386889"	819.2725	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H-H2O"	-17.0027
"284753"	1673.557676	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+H"	1.007276
"677901"	2509.832876	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+H"	1.007276
"1354614"	837.282476	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H"	1.007276
"132249"	837.282476	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+2H"	2.014552
"570348"	1255.420076	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+2H"	2.014552
"1038540"	419.144876	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2H"	2.014552
"209966"	558.524076	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+3H"	3.021828
"650625"	837.282476	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+3H"	3.021828
"1169843"	279.765676	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+3H"	3.021828
"428742"	1690.584223	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+NH4"	18.033823
"790827"	2526.859423	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+NH4"	18.033823
"1693720"	854.309023	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+NH4"	18.033823
"336529"	845.7957495	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+H+NH4"	19.041099
"728957"	1263.9333495	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+H+NH4"	19.041099
"1482780"	427.6581495	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H+NH4"	19.041099
"400363"	1695.539618	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+Na"	22.989218
"760267"	2531.814818	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+Na"	22.989218
"1609457"	859.264418	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Na"	22.989218
"317306"	848.273447	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+H+Na"	23.996494
"711911"	1266.411047	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+H+Na"	23.996494
"1463546"	430.135847	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H+Na"	23.996494
"1055699"	287.09299	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2H+Na"	25.00377
"1261753"	869.308686	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+CH3OH+H"	33.033486
"385795"	1711.513558	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+K"	38.963158
"743512"	2547.788758	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+K"	38.963158
"1546659"	875.238358	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+K"	38.963158
"303106"	856.260417	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+H+K"	39.970434
"706841"	1274.398017	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+H+K"	39.970434
"1455553"	438.122817	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H+K"	39.970434
"246341"	1714.584226	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+ACN+H"	42.033826
"1217953"	878.309026	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+ACN+H"	42.033826
"1204753"	439.658151	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+ACN+2H"	43.041102
"199809"	1717.52156	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+2Na-H"	44.97116
"639735"	2553.79676	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+2Na-H"	44.97116
"1142145"	881.24636	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2Na-H"	44.97116
"183252"	859.264418	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+2Na"	45.978436
"620626"	1277.402018	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+2Na"	45.978436
"1126314"	441.126818	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2Na"	45.978436
"1406558"	294.420304	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H+2Na"	46.985712
"1440501"	883.287946	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H+HCOOH"	47.012746
"226184"	864.29744	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+3H2O+2H"	56.04448
"1519715"	897.33999	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+IsoProp+H"	61.06479
"413937"	867.251388	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+Na+K"	61.952376
"776029"	1285.388988	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+Na+K"	61.952376
"1672362"	449.113788	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Na+K"	61.952376
"253777"	1736.566168	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+ACN+Na"	64.015768
"1229403"	900.290968	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+ACN+Na"	64.015768
"1724857"	900.314493	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+NH4+HCOOH"	64.039293
"1184740"	301.747618	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+3Na"	68.967654
"1661925"	905.269888	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Na+HCOOH"	68.994688
"166966"	1749.46944	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+2K-H"	76.91904
"608711"	2585.74464	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+2K-H"	76.91904
"1086666"	913.19424	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2K-H"	76.91904
"144579"	875.238358	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"2M+2K"	77.926316
"587420"	1293.375958	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"3M+2K"	77.926316
"1075213"	457.100758	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2K"	77.926316
"1105143"	915.208792	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2K+H"	78.933592
"1344810"	915.296407	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+DMSO+H"	79.021207
"1011154"	919.335576	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2ACN+H"	83.060376
"1529280"	920.329208	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+IsoProp+Na+H"	84.054008
"997915"	460.171426	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+2ACN+2H"	84.067652
"1597885"	921.243828	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+K+HCOOH"	84.968628
"1422451"	951.275338	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+H+CF3COOH"	115.000138
"1149459"	480.684701	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+3ACN+2H"	125.094202
"1706665"	968.301885	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+NH4+CF3COOH"	132.026685
"1637942"	973.25728	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+Na+CF3COOH"	136.98208
"1574689"	989.23122	"C05766"	"Uroporphyrinogen I"	"C40H44N4O16"	"836.2752"	"M+K+CF3COOH"	152.95602
"806149"	830.2283	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M"	0
"979686"	811.20991	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-H2O-H"	-19.01839
"62938"	552.478257333333	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M-3H"	-3.021828
"503719"	829.221024	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M-3H"	-3.021828
"883100"	275.735490666667	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-3H"	-3.021828
"6051"	829.221024	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M-2H"	-2.014552
"444519"	1244.335174	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M-2H"	-2.014552
"823411"	414.106874	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-2H"	-2.014552
"85589"	1659.449324	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M-H"	-1.007276
"524056"	2489.677624	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M-H"	-1.007276
"902951"	829.221024	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-H"	-1.007276
"51864"	1676.475871	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M-2H+NH4"	16.019271
"491426"	2506.704171	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M-2H+NH4"	16.019271
"873603"	846.247571	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-2H+NH4"	16.019271
"40411"	1681.431266	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M-2H+Na"	20.974666
"478877"	2511.659566	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M-2H+Na"	20.974666
"851212"	851.202966	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-2H+Na"	20.974666
"1619653"	851.202966	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Na-2H"	20.974666
"95087"	847.209363	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M-H+Cl"	33.962126
"542304"	1262.323513	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M-H+Cl"	33.962126
"932539"	432.095213	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-H+Cl"	33.962126
"276563"	1695.426002	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+Cl"	34.969402
"666798"	2525.654302	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+Cl"	34.969402
"1277015"	865.197702	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Cl"	34.969402
"17385"	1697.405206	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M-2H+K"	36.948606
"461320"	2527.633506	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M-2H+K"	36.948606
"833038"	867.176906	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-2H+K"	36.948606
"1556413"	867.176906	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+K-2H"	36.948606
"943442"	875.226494	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-H+HCOOH"	44.998194
"364332"	1705.454801	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+HCOOH-H"	44.998201
"349307"	1719.470451	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+Hac-H"	59.013851
"1499235"	889.242151	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Hac-H"	59.013851
"965680"	897.208451	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-H+NaCOOH"	66.980151
"117871"	865.197702	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+2Cl"	69.938804
"550994"	1280.311852	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+2Cl"	69.938804
"1022224"	450.083552	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2Cl"	69.938804
"1246545"	909.147185	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Br"	78.918885
"1308993"	911.203172	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Cl+HCOOH"	80.974872
"1324303"	933.185129	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Cl+NaCOOH"	102.956829
"914270"	943.213886	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M-H+CF3COOH"	112.985586
"1289883"	979.190564	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Cl+CF3COOH"	148.962264
"1370597"	795.215624	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H-2H2O"	-35.012676
"1386999"	813.2256	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H-H2O"	-17.0027
"288873"	1661.463876	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+H"	1.007276
"679107"	2491.692176	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+H"	1.007276
"1357641"	831.235576	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H"	1.007276
"127613"	831.235576	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+2H"	2.014552
"573375"	1246.349726	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+2H"	2.014552
"1040353"	416.121426	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2H"	2.014552
"210075"	554.492809333333	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+3H"	3.021828
"646721"	831.235576	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+3H"	3.021828
"1169953"	277.750042666667	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+3H"	3.021828
"432131"	1678.490423	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+NH4"	18.033823
"798594"	2508.718723	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+NH4"	18.033823
"1694563"	848.262123	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+NH4"	18.033823
"337733"	839.7488495	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+H+NH4"	19.041099
"735624"	1254.8629995	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+H+NH4"	19.041099
"1481787"	424.6346995	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H+NH4"	19.041099
"396098"	1683.445818	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+Na"	22.989218
"761466"	2513.674118	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+Na"	22.989218
"1606284"	853.217518	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Na"	22.989218
"319601"	842.226547	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+H+Na"	23.996494
"709834"	1257.340697	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+H+Na"	23.996494
"1464748"	427.112397	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H+Na"	23.996494
"1062370"	285.077356666667	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2H+Na"	25.00377
"1265142"	863.261786	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+CH3OH+H"	33.033486
"384812"	1699.419758	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+K"	38.963158
"749086"	2529.648058	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+K"	38.963158
"1548955"	869.191458	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+K"	38.963158
"303944"	850.213517	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+H+K"	39.970434
"704389"	1265.327667	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+H+K"	39.970434
"1458574"	435.099367	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H+K"	39.970434
"242079"	1702.490426	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+ACN+H"	42.033826
"1214788"	872.262126	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+ACN+H"	42.033826
"1201947"	436.634701	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+ACN+2H"	43.041102
"198098"	1705.42776	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+2Na-H"	44.97116
"637658"	2535.65606	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+2Na-H"	44.97116
"1140436"	875.19946	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2Na-H"	44.97116
"178989"	853.217518	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+2Na"	45.978436
"621830"	1268.331668	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+2Na"	45.978436
"1123146"	438.103368	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2Na"	45.978436
"1402297"	292.404670666667	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H+2Na"	46.985712
"1435508"	877.241046	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H+HCOOH"	47.012746
"229213"	858.25054	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+3H2O+2H"	56.04448
"1516544"	891.29309	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+IsoProp+H"	61.06479
"411127"	861.204488	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+Na+K"	61.952376
"777232"	1276.318638	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+Na+K"	61.952376
"1673565"	446.090338	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Na+K"	61.952376
"255345"	1724.472368	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+ACN+Na"	64.015768
"1229513"	894.244068	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+ACN+Na"	64.015768
"1722415"	894.267593	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+NH4+HCOOH"	64.039293
"1187036"	299.731984666667	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+3Na"	68.967654
"1662035"	899.222988	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Na+HCOOH"	68.994688
"164889"	1737.37564	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+2K-H"	76.91904
"608457"	2567.60394	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+2K-H"	76.91904
"1086775"	907.14734	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2K-H"	76.91904
"144689"	869.191458	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"2M+2K"	77.926316
"587530"	1284.305608	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"3M+2K"	77.926316
"1078603"	454.077308	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2K"	77.926316
"1108532"	909.161892	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2K+H"	78.933592
"1340546"	909.249507	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+DMSO+H"	79.021207
"1011263"	913.288676	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2ACN+H"	83.060376
"1528296"	914.282308	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+IsoProp+Na+H"	84.054008
"994745"	457.147976	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+2ACN+2H"	84.067652
"1596902"	915.196928	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+K+HCOOH"	84.968628
"1419280"	945.228438	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+H+CF3COOH"	115.000138
"1149569"	477.661251	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+3ACN+2H"	125.094202
"1703495"	962.254985	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+NH4+CF3COOH"	132.026685
"1638052"	967.21038	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+Na+CF3COOH"	136.98208
"1574070"	983.18432	"C05767"	"Uroporphyrin I"	"C40H38N4O16"	"830.2283"	"M+K+CF3COOH"	152.95602
"804072"	660.3159	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M"	0
"980889"	641.29751	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-H2O-H"	-19.01839
"63063"	439.203324	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M-3H"	-3.021828
"504316"	659.308624	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M-3H"	-3.021828
"883210"	219.098024	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-3H"	-3.021828
"3972"	659.308624	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M-2H"	-2.014552
"445721"	989.466574	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M-2H"	-2.014552
"822428"	329.150674	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-2H"	-2.014552
"85699"	1319.624524	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M-H"	-1.007276
"525259"	1979.940424	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M-H"	-1.007276
"901968"	659.308624	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-H"	-1.007276
"51969"	1336.651071	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M-2H+NH4"	16.019271
"489347"	1996.966971	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M-2H+NH4"	16.019271
"870433"	676.335171	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-2H+NH4"	16.019271
"37241"	1341.606466	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M-2H+Na"	20.974666
"478987"	2001.922366	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M-2H+Na"	20.974666
"851324"	681.290566	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-2H+Na"	20.974666
"1619763"	681.290566	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Na-2H"	20.974666
"99573"	677.296963	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M-H+Cl"	33.962126
"539134"	1007.454913	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M-H+Cl"	33.962126
"932649"	347.139013	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-H+Cl"	33.962126
"279955"	1355.601202	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+Cl"	34.969402
"672012"	2015.917102	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+Cl"	34.969402
"1284780"	695.285302	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Cl"	34.969402
"20775"	1357.580406	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M-2H+K"	36.948606
"465804"	2017.896306	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M-2H+K"	36.948606
"833196"	697.264506	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-2H+K"	36.948606
"1562719"	697.264506	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+K-2H"	36.948606
"946228"	705.314094	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-H+HCOOH"	44.998194
"364443"	1365.630001	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+HCOOH-H"	44.998201
"349419"	1379.645651	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+Hac-H"	59.013851
"1504812"	719.329751	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Hac-H"	59.013851
"967979"	727.296051	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-H+NaCOOH"	66.980151
"120168"	695.285302	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+2Cl"	69.938804
"553170"	1025.443252	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+2Cl"	69.938804
"1023426"	365.127352	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2Cl"	69.938804
"1249209"	739.234785	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Br"	78.918885
"1314936"	741.290772	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Cl+HCOOH"	80.974872
"1325874"	763.272729	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Cl+NaCOOH"	102.956829
"919119"	773.301486	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M-H+CF3COOH"	112.985586
"1289995"	809.278164	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Cl+CF3COOH"	148.962264
"1370708"	625.303224	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H-2H2O"	-35.012676
"1396588"	643.3132	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H-H2O"	-17.0027
"293357"	1321.639076	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+H"	1.007276
"682498"	1981.954976	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+H"	1.007276
"1362125"	661.323176	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H"	1.007276
"129548"	661.323176	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+2H"	2.014552
"570205"	991.481126	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+2H"	2.014552
"1041193"	331.165226	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2H"	2.014552
"211280"	441.217876	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+3H"	3.021828
"650842"	661.323176	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+3H"	3.021828
"1173343"	221.112576	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+3H"	3.021828
"436983"	1338.665623	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+NH4"	18.033823
"798708"	1998.981523	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+NH4"	18.033823
"1693945"	678.349723	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+NH4"	18.033823
"341855"	669.8364495	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+H+NH4"	19.041099
"736830"	999.9943995	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+H+NH4"	19.041099
"1480806"	339.6784995	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H+NH4"	19.041099
"399489"	1343.621018	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+Na"	22.989218
"761576"	2003.936918	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+Na"	22.989218
"1607487"	683.305118	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Na"	22.989218
"319712"	672.314147	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+H+Na"	23.996494
"709946"	1002.472097	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+H+Na"	23.996494
"1467048"	342.156197	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H+Na"	23.996494
"1062480"	228.43989	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2H+Na"	25.00377
"1265252"	693.349386	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+CH3OH+H"	33.033486
"384923"	1359.594958	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+K"	38.963158
"747010"	2019.910858	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+K"	38.963158
"1549065"	699.279058	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+K"	38.963158
"301867"	680.301117	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+H+K"	39.970434
"701219"	1010.459067	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+H+K"	39.970434
"1460751"	350.143167	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H+K"	39.970434
"240002"	1362.665626	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+ACN+H"	42.033826
"1217086"	702.349726	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+ACN+H"	42.033826
"1198052"	351.678501	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+ACN+2H"	43.041102
"198209"	1365.60296	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+2Na-H"	44.97116
"639956"	2025.91886	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+2Na-H"	44.97116
"1141276"	705.28706	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2Na-H"	44.97116
"179099"	683.305118	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+2Na"	45.978436
"620847"	1013.463068	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+2Na"	45.978436
"1122163"	353.147168	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2Na"	45.978436
"1406782"	235.767204	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H+2Na"	46.985712
"1434525"	707.328646	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H+HCOOH"	47.012746
"226405"	688.33814	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+3H2O+2H"	56.04448
"1514468"	721.38069	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+IsoProp+H"	61.06479
"410872"	691.292088	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+Na+K"	61.952376
"777343"	1021.450038	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+Na+K"	61.952376
"1671489"	361.134138	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Na+K"	61.952376
"256915"	1384.647568	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+ACN+Na"	64.015768
"1231811"	724.331668	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+ACN+Na"	64.015768
"1720701"	724.355193	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+NH4+HCOOH"	64.039293
"1182774"	243.094518	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+3Na"	68.967654
"1664697"	729.310588	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Na+HCOOH"	68.994688
"163905"	1397.55084	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+2K-H"	76.91904
"607838"	2057.86674	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+2K-H"	76.91904
"1093443"	737.23494	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2K-H"	76.91904
"144799"	699.279058	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"2M+2K"	77.926316
"588734"	1029.437008	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"3M+2K"	77.926316
"1075432"	369.121108	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2K"	77.926316
"1107549"	739.249492	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2K+H"	78.933592
"1341749"	739.337107	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+DMSO+H"	79.021207
"1010280"	743.376276	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2ACN+H"	83.060376
"1526219"	744.369908	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+IsoProp+Na+H"	84.054008
"990601"	372.191776	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+2ACN+2H"	84.067652
"1590449"	745.284528	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+K+HCOOH"	84.968628
"1421577"	775.316038	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+H+CF3COOH"	115.000138
"1149678"	392.705051	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+3ACN+2H"	125.094202
"1697768"	792.342585	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+NH4+CF3COOH"	132.026685
"1638162"	797.29798	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+Na+CF3COOH"	136.98208
"1574909"	813.27192	"C05768"	"Coproporphyrinogen I"	"C36H44N4O8"	"660.3159"	"M+K+CF3COOH"	152.95602
"803089"	654.269	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M"	0
"979906"	635.25061	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-H2O-H"	-19.01839
"63170"	435.172057333333	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M-3H"	-3.021828
"504426"	653.261724	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M-3H"	-3.021828
"880321"	217.082390666667	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-3H"	-3.021828
"1896"	653.261724	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M-2H"	-2.014552
"440971"	980.396224	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M-2H"	-2.014552
"822540"	326.127224	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-2H"	-2.014552
"81436"	1307.530724	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M-H"	-1.007276
"520997"	1961.799724	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M-H"	-1.007276
"898434"	653.261724	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-H"	-1.007276
"49163"	1324.557271	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M-2H+NH4"	16.019271
"487188"	1978.826271	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M-2H+NH4"	16.019271
"869451"	670.288271	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-2H+NH4"	16.019271
"35165"	1329.512666	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M-2H+Na"	20.974666
"475818"	1983.781666	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M-2H+Na"	20.974666
"853621"	675.243666	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-2H+Na"	20.974666
"1625340"	675.243666	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Na-2H"	20.974666
"98590"	671.250063	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M-H+Cl"	33.962126
"539244"	998.384563	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M-H+Cl"	33.962126
"931666"	344.115563	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-H+Cl"	33.962126
"275693"	1343.507402	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+Cl"	34.969402
"670300"	1997.776402	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+Cl"	34.969402
"1281977"	689.238402	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Cl"	34.969402
"17605"	1345.486606	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M-2H+K"	36.948606
"461539"	1999.755606	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M-2H+K"	36.948606
"836062"	691.217606	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-2H+K"	36.948606
"1559549"	691.217606	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+K-2H"	36.948606
"946338"	699.267194	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-H+HCOOH"	44.998194
"364917"	1353.536201	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+HCOOH-H"	44.998201
"349892"	1367.551851	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+Hac-H"	59.013851
"1503829"	713.282851	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Hac-H"	59.013851
"968089"	721.249151	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-H+NaCOOH"	66.980151
"114811"	689.238402	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+2Cl"	69.938804
"558745"	1016.372902	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+2Cl"	69.938804
"1022562"	362.103902	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2Cl"	69.938804
"1251506"	733.187885	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Br"	78.918885
"1315046"	735.243872	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Cl+HCOOH"	80.974872
"1325618"	757.225829	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Cl+NaCOOH"	102.956829
"919230"	767.254586	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M-H+CF3COOH"	112.985586
"1290105"	803.231264	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Cl+CF3COOH"	148.962264
"1377379"	619.256324	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H-2H2O"	-35.012676
"1397671"	637.2663	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H-H2O"	-17.0027
"295653"	1309.545276	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+H"	1.007276
"682608"	1963.814276	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+H"	1.007276
"1361142"	655.276276	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H"	1.007276
"129660"	655.276276	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+2H"	2.014552
"570315"	982.410776	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+2H"	2.014552
"1046770"	328.141776	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2H"	2.014552
"211390"	437.186609333333	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+3H"	3.021828
"652045"	655.276276	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+3H"	3.021828
"1174912"	219.096942666667	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+3H"	3.021828
"435998"	1326.571823	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+NH4"	18.033823
"798453"	1980.840823	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+NH4"	18.033823
"1695512"	672.302823	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+NH4"	18.033823
"343424"	663.7895495	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+H+NH4"	19.041099
"737310"	990.9240495	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+H+NH4"	19.041099
"1485290"	336.6550495	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H+NH4"	19.041099
"398505"	1331.527218	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+Na"	22.989218
"761686"	1985.796218	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+Na"	22.989218
"1608690"	677.258218	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Na"	22.989218
"319822"	666.267247	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+H+Na"	23.996494
"711150"	993.401747	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+H+Na"	23.996494
"1470075"	339.132747	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H+Na"	23.996494
"1065143"	226.424256666667	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2H+Na"	25.00377
"1269737"	687.302486	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+CH3OH+H"	33.033486
"385034"	1347.501158	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+K"	38.963158
"748213"	2001.770158	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+K"	38.963158
"1549175"	693.232158	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+K"	38.963158
"304164"	674.254217	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+H+K"	39.970434
"701329"	1001.388717	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+H+K"	39.970434
"1459522"	347.119717	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H+K"	39.970434
"245575"	1350.571826	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+ACN+H"	42.033826
"1212822"	696.302826	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+ACN+H"	42.033826
"1196705"	348.655051	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+ACN+2H"	43.041102
"197226"	1353.50916	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+2Na-H"	44.97116
"634598"	2007.77816	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+2Na-H"	44.97116
"1137012"	699.24016	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2Na-H"	44.97116
"175929"	677.258218	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+2Na"	45.978436
"617677"	1004.392718	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+2Na"	45.978436
"1122273"	350.123718	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2Na"	45.978436
"1403612"	233.751570666667	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H+2Na"	46.985712
"1432448"	701.281746	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H+HCOOH"	47.012746
"224328"	682.29124	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+3H2O+2H"	56.04448
"1512392"	715.33379	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+IsoProp+H"	61.06479
"414265"	685.245188	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+Na+K"	61.952376
"774172"	1012.379688	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+Na+K"	61.952376
"1674879"	358.110688	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Na+K"	61.952376
"257023"	1372.553768	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+ACN+Na"	64.015768
"1230827"	718.284768	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+ACN+Na"	64.015768
"1720811"	718.308293	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+NH4+HCOOH"	64.039293
"1183248"	241.078884666667	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+3Na"	68.967654
"1656057"	723.263688	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Na+HCOOH"	68.994688
"162922"	1385.45704	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+2K-H"	76.91904
"607948"	2039.72604	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+2K-H"	76.91904
"1092460"	731.18804	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2K-H"	76.91904
"148185"	693.232158	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"2M+2K"	77.926316
"585559"	1020.366658	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"3M+2K"	77.926316
"1070439"	366.097658	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2K"	77.926316
"1102556"	733.202592	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2K+H"	78.933592
"1339672"	733.290207	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+DMSO+H"	79.021207
"1007229"	737.329376	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2ACN+H"	83.060376
"1524869"	738.323008	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+IsoProp+Na+H"	84.054008
"994963"	369.168326	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+2ACN+2H"	84.067652
"1588373"	739.237628	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+K+HCOOH"	84.968628
"1419501"	769.269138	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+H+CF3COOH"	115.000138
"1147235"	389.681601	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+3ACN+2H"	125.094202
"1697515"	786.295685	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+NH4+CF3COOH"	132.026685
"1634259"	791.25108	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+Na+CF3COOH"	136.98208
"1573926"	807.22502	"C05769"	"Coproporphyrin I"	"C36H38N4O8"	"654.269"	"M+K+CF3COOH"	152.95602
"811950"	654.269	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M"	0
"977828"	635.25061	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-H2O-H"	-19.01839
"64004"	435.172057333333	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M-3H"	-3.021828
"504898"	653.261724	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M-3H"	-3.021828
"881244"	217.082390666667	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-3H"	-3.021828
"6381"	653.261724	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M-2H"	-2.014552
"444849"	980.396224	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M-2H"	-2.014552
"820463"	326.127224	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-2H"	-2.014552
"79276"	1307.530724	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M-H"	-1.007276
"519044"	1961.799724	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M-H"	-1.007276
"896723"	653.261724	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-H"	-1.007276
"48665"	1324.557271	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M-2H+NH4"	16.019271
"491757"	1978.826271	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M-2H+NH4"	16.019271
"872841"	670.288271	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-2H+NH4"	16.019271
"37462"	1329.512666	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M-2H+Na"	20.974666
"477025"	1983.781666	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M-2H+Na"	20.974666
"852638"	675.243666	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-2H+Na"	20.974666
"1625454"	675.243666	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Na-2H"	20.974666
"98701"	671.250063	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M-H+Cl"	33.962126
"542636"	998.384563	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M-H+Cl"	33.962126
"936150"	344.115563	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-H+Cl"	33.962126
"275802"	1343.507402	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+Cl"	34.969402
"669317"	1997.776402	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+Cl"	34.969402
"1280625"	689.238402	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Cl"	34.969402
"17715"	1345.486606	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M-2H+K"	36.948606
"467483"	1999.755606	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M-2H+K"	36.948606
"839452"	691.217606	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-2H+K"	36.948606
"1557834"	691.217606	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+K-2H"	36.948606
"947904"	699.267194	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-H+HCOOH"	44.998194
"366119"	1353.536201	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+HCOOH-H"	44.998201
"348542"	1367.551851	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+Hac-H"	59.013851
"1495919"	713.282851	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Hac-H"	59.013851
"962004"	721.249151	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-H+NaCOOH"	66.980151
"115286"	689.238402	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+2Cl"	69.938804
"552296"	1016.372902	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+2Cl"	69.938804
"1022551"	362.103902	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2Cl"	69.938804
"1243956"	733.187885	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Br"	78.918885
"1314063"	735.243872	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Cl+HCOOH"	80.974872
"1323907"	757.225829	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Cl+NaCOOH"	102.956829
"920432"	767.254586	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M-H+CF3COOH"	112.985586
"1289487"	803.231264	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Cl+CF3COOH"	148.962264
"1377488"	619.256324	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H-2H2O"	-35.012676
"1385145"	637.2663	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H-H2O"	-17.0027
"288111"	1309.545276	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+H"	1.007276
"684904"	1963.814276	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+H"	1.007276
"1357975"	655.276276	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H"	1.007276
"129773"	655.276276	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+2H"	2.014552
"568606"	982.410776	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+2H"	2.014552
"1040322"	328.141776	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2H"	2.014552
"210410"	437.186609333333	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+3H"	3.021828
"653251"	655.276276	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+3H"	3.021828
"1174658"	219.096942666667	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+3H"	3.021828
"435378"	1326.571823	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+NH4"	18.033823
"798196"	1980.840823	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+NH4"	18.033823
"1690881"	672.302823	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+NH4"	18.033823
"336971"	663.7895495	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+H+NH4"	19.041099
"729393"	990.9240495	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+H+NH4"	19.041099
"1482122"	336.6550495	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H+NH4"	19.041099
"398615"	1331.527218	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+Na"	22.989218
"759609"	1985.796218	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+Na"	22.989218
"1608799"	677.258218	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Na"	22.989218
"318838"	666.267247	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+H+Na"	23.996494
"710165"	993.401747	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+H+Na"	23.996494
"1465081"	339.132747	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H+Na"	23.996494
"1055409"	226.424256666667	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2H+Na"	25.00377
"1257816"	687.302486	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+CH3OH+H"	33.033486
"381860"	1347.501158	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+K"	38.963158
"746137"	2001.770158	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+K"	38.963158
"1549285"	693.232158	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+K"	38.963158
"303179"	674.254217	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+H+K"	39.970434
"698887"	1001.388717	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+H+K"	39.970434
"1452710"	347.119717	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H+K"	39.970434
"242410"	1350.571826	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+ACN+H"	42.033826
"1214388"	696.302826	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+ACN+H"	42.033826
"1197906"	348.655051	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+ACN+2H"	43.041102
"195149"	1353.50916	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+2Na-H"	44.97116
"635803"	2007.77816	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+2Na-H"	44.97116
"1139309"	699.24016	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2Na-H"	44.97116
"179320"	677.258218	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+2Na"	45.978436
"617787"	1004.392718	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+2Na"	45.978436
"1116552"	350.123718	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2Na"	45.978436
"1400440"	233.751570666667	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H+2Na"	46.985712
"1431466"	701.281746	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H+HCOOH"	47.012746
"224442"	682.29124	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+3H2O+2H"	56.04448
"1513598"	715.33379	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+IsoProp+H"	61.06479
"413282"	685.245188	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+Na+K"	61.952376
"771366"	1012.379688	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+Na+K"	61.952376
"1671706"	358.110688	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Na+K"	61.952376
"254947"	1372.553768	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+ACN+Na"	64.015768
"1235311"	718.284768	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+ACN+Na"	64.015768
"1720921"	718.308293	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+NH4+HCOOH"	64.039293
"1188463"	241.078884666667	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+3Na"	68.967654
"1663702"	723.263688	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Na+HCOOH"	68.994688
"166311"	1385.45704	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+2K-H"	76.91904
"606966"	2039.72604	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+2K-H"	76.91904
"1086373"	731.18804	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2K-H"	76.91904
"147204"	693.232158	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"2M+2K"	77.926316
"586763"	1020.366658	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"3M+2K"	77.926316
"1075652"	366.097658	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2K"	77.926316
"1108866"	733.202592	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2K+H"	78.933592
"1343063"	733.290207	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+DMSO+H"	79.021207
"1011594"	737.329376	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2ACN+H"	83.060376
"1525345"	738.323008	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+IsoProp+Na+H"	84.054008
"990699"	369.168326	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+2ACN+2H"	84.067652
"1593952"	739.237628	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+K+HCOOH"	84.968628
"1416331"	769.269138	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+H+CF3COOH"	115.000138
"1150994"	389.681601	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+3ACN+2H"	125.094202
"1704919"	786.295685	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+NH4+CF3COOH"	132.026685
"1644943"	791.25108	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+Na+CF3COOH"	136.98208
"1574036"	807.22502	"C05770"	"Coproporphyrin III"	"C36H38N4O8"	"654.269"	"M+K+CF3COOH"	152.95602
"803309"	75.0684	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M"	0
"974439"	56.05001	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H2O-H"	-19.01839
"65085"	49.038324	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-3H"	-3.021828
"504643"	74.061124	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-3H"	-3.021828
"882447"	24.015524	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-3H"	-3.021828
"4302"	74.061124	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H"	-2.014552
"443864"	111.595324	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H"	-2.014552
"823851"	36.526924	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H"	-2.014552
"80931"	149.129524	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-H"	-1.007276
"519154"	224.197924	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-H"	-1.007276
"897561"	74.061124	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H"	-1.007276
"48776"	166.156071	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H+NH4"	16.019271
"491867"	241.224471	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H+NH4"	16.019271
"872951"	91.087671	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H+NH4"	16.019271
"43769"	171.111466	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H+Na"	20.974666
"480415"	246.179866	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H+Na"	20.974666
"854935"	96.043066	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H+Na"	20.974666
"1628844"	96.043066	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na-2H"	20.974666
"98811"	92.049463	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-H+Cl"	33.962126
"539466"	129.583663	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-H+Cl"	33.962126
"932980"	54.515263	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+Cl"	33.962126
"274817"	185.106202	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Cl"	34.969402
"663959"	260.174602	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+Cl"	34.969402
"1277455"	110.037802	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl"	34.969402
"21103"	187.085406	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M-2H+K"	36.948606
"461760"	262.153806	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M-2H+K"	36.948606
"840654"	112.017006	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-2H+K"	36.948606
"1557944"	112.017006	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K-2H"	36.948606
"948743"	120.066594	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+HCOOH"	44.998194
"365862"	195.135001	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+HCOOH-H"	44.998201
"348288"	209.150651	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Hac-H"	59.013851
"1499677"	134.082251	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Hac-H"	59.013851
"962845"	142.048551	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+NaCOOH"	66.980151
"116126"	110.037802	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2Cl"	69.938804
"553136"	147.572002	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2Cl"	69.938804
"1023026"	72.503602	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2Cl"	69.938804
"1244430"	153.987285	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Br"	78.918885
"1314174"	156.043272	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl+HCOOH"	80.974872
"1328392"	178.025229	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl+NaCOOH"	102.956829
"922730"	188.053986	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M-H+CF3COOH"	112.985586
"1292149"	224.030664	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Cl+CF3COOH"	148.962264
"1376505"	40.055724	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H-2H2O"	-35.012676
"1390723"	58.0657	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H-H2O"	-17.0027
"288221"	151.144076	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H"	1.007276
"684650"	226.212476	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H"	1.007276
"1358085"	76.075676	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H"	1.007276
"130247"	76.075676	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2H"	2.014552
"572726"	113.609876	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2H"	2.014552
"1041525"	38.541476	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2H"	2.014552
"212706"	51.052876	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+3H"	3.021828
"650081"	76.075676	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+3H"	3.021828
"1174768"	26.030076	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+3H"	3.021828
"436581"	168.170623	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+NH4"	18.033823
"799278"	243.239023	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+NH4"	18.033823
"1694273"	93.102223	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+NH4"	18.033823
"338174"	84.5889495	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H+NH4"	19.041099
"730596"	122.1231495	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H+NH4"	19.041099
"1483325"	47.0547495	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+NH4"	19.041099
"398725"	173.126018	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Na"	22.989218
"757534"	248.194418	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+Na"	22.989218
"1607817"	98.057618	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na"	22.989218
"317855"	87.066647	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H+Na"	23.996494
"709182"	124.600847	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H+Na"	23.996494
"1467378"	49.532447	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+Na"	23.996494
"1056249"	33.35739	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2H+Na"	25.00377
"1262301"	108.101886	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+CH3OH+H"	33.033486
"384157"	189.099958	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+K"	38.963158
"746247"	264.168358	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+K"	38.963158
"1549395"	114.031558	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K"	38.963158
"303289"	95.053617	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+H+K"	39.970434
"698997"	132.587817	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+H+K"	39.970434
"1452820"	57.519417	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+K"	39.970434
"246893"	192.170626	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+ACN+H"	42.033826
"1219600"	117.102226	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+ACN+H"	42.033826
"1201296"	59.054751	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+ACN+2H"	43.041102
"198539"	195.10796	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2Na-H"	44.97116
"634820"	270.17636	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2Na-H"	44.97116
"1139419"	120.03956	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2Na-H"	44.97116
"175178"	98.057618	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2Na"	45.978436
"617897"	135.591818	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2Na"	45.978436
"1116419"	60.523418	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2Na"	45.978436
"1400184"	40.684704	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+2Na"	46.985712
"1437041"	122.081146	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+HCOOH"	47.012746
"226737"	103.09064	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+3H2O+2H"	56.04448
"1515894"	136.13319	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+IsoProp+H"	61.06479
"413392"	106.044588	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+Na+K"	61.952376
"777672"	143.578788	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+Na+K"	61.952376
"1672909"	68.510388	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na+K"	61.952376
"257244"	214.152568	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+ACN+Na"	64.015768
"1233235"	139.084168	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+ACN+Na"	64.015768
"1721031"	139.107693	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+NH4+HCOOH"	64.039293
"1187480"	48.012018	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+3Na"	68.967654
"1660653"	144.063088	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na+HCOOH"	68.994688
"164234"	227.05584	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2K-H"	76.91904
"608169"	302.12424	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2K-H"	76.91904
"1088306"	151.98744	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2K-H"	76.91904
"147314"	114.031558	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"2M+2K"	77.926316
"584686"	151.565758	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"3M+2K"	77.926316
"1075762"	76.497358	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2K"	77.926316
"1108976"	154.001992	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2K+H"	78.933592
"1343173"	154.089607	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+DMSO+H"	79.021207
"1011704"	158.128776	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2ACN+H"	83.060376
"1528736"	159.122408	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+IsoProp+Na+H"	84.054008
"991904"	79.568026	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+2ACN+2H"	84.067652
"1594062"	160.037028	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K+HCOOH"	84.968628
"1420815"	190.068538	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+H+CF3COOH"	115.000138
"1154385"	100.081301	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+3ACN+2H"	125.094202
"1701749"	207.095085	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+NH4+CF3COOH"	132.026685
"1647241"	212.05048	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+Na+CF3COOH"	136.98208
"1574146"	228.02442	"C05771"	"1-Aminopropan-2-ol;1-Amino-2-propanol"	"C3H9NO"	"75.0684"	"M+K+CF3COOH"	152.95602
"803419"	878.3222	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M"	0
"976956"	859.30381	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-H2O-H"	-19.01839
"66286"	584.540857333333	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M-3H"	-3.021828
"506944"	877.314924	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M-3H"	-3.021828
"882921"	291.766790666667	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-3H"	-3.021828
"2223"	877.314924	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M-2H"	-2.014552
"445065"	1316.476024	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M-2H"	-2.014552
"826147"	438.153824	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-2H"	-2.014552
"83956"	1755.637124	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M-H"	-1.007276
"525701"	2633.959324	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M-H"	-1.007276
"900227"	877.314924	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-H"	-1.007276
"53512"	1772.663671	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M-2H+NH4"	16.019271
"490885"	2650.985871	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M-2H+NH4"	16.019271
"873062"	894.341471	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-2H+NH4"	16.019271
"37683"	1777.619066	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M-2H+Na"	20.974666
"480525"	2655.941266	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M-2H+Na"	20.974666
"855045"	899.296866	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-2H+Na"	20.974666
"1627861"	899.296866	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Na-2H"	20.974666
"103297"	895.303263	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M-H+Cl"	33.962126
"539577"	1334.464363	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M-H+Cl"	33.962126
"930176"	456.142163	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-H+Cl"	33.962126
"273835"	1791.613802	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+Cl"	34.969402
"662975"	2669.936002	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+Cl"	34.969402
"1280846"	913.291602	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Cl"	34.969402
"21581"	1793.593006	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M-2H+K"	36.948606
"460047"	2671.915206	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M-2H+K"	36.948606
"838578"	915.270806	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-2H+K"	36.948606
"1562062"	915.270806	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+K-2H"	36.948606
"947759"	923.320394	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-H+HCOOH"	44.998194
"366338"	1801.642601	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+HCOOH-H"	44.998201
"352047"	1815.658251	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+Hac-H"	59.013851
"1496873"	937.336051	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Hac-H"	59.013851
"960770"	945.302351	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-H+NaCOOH"	66.980151
"113687"	913.291602	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+2Cl"	69.938804
"554703"	1352.452702	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+2Cl"	69.938804
"1030069"	474.130502	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2Cl"	69.938804
"1249650"	957.241085	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Br"	78.918885
"1316108"	959.297072	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Cl+HCOOH"	80.974872
"1324127"	981.279029	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Cl+NaCOOH"	102.956829
"917010"	991.307786	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M-H+CF3COOH"	112.985586
"1295174"	1027.284464	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Cl+CF3COOH"	148.962264
"1372242"	843.309524	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H-2H2O"	-35.012676
"1390832"	861.3195	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H-H2O"	-17.0027
"289423"	1757.651676	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+H"	1.007276
"685127"	2635.973876	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+H"	1.007276
"1358195"	879.329476	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H"	1.007276
"130357"	879.329476	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+2H"	2.014552
"571743"	1318.490576	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+2H"	2.014552
"1043823"	440.168376	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2H"	2.014552
"210631"	586.555409333333	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+3H"	3.021828
"656754"	879.329476	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+3H"	3.021828
"1172691"	293.781342666667	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+3H"	3.021828
"432683"	1774.678223	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+NH4"	18.033823
"795865"	2653.000423	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+NH4"	18.033823
"1690008"	896.356023	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+NH4"	18.033823
"336099"	887.8427495	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+H+NH4"	19.041099
"724271"	1327.0038495	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+H+NH4"	19.041099
"1477480"	448.6816495	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H+NH4"	19.041099
"393854"	1779.633618	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+Na"	22.989218
"755579"	2657.955818	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+Na"	22.989218
"1609025"	901.311418	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Na"	22.989218
"316874"	890.320447	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+H+Na"	23.996494
"710390"	1329.481547	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+H+Na"	23.996494
"1464209"	451.159347	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H+Na"	23.996494
"1055266"	301.108656666667	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2H+Na"	25.00377
"1261318"	911.355686	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+CH3OH+H"	33.033486
"382081"	1795.607558	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+K"	38.963158
"747453"	2673.929758	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+K"	38.963158
"1547321"	917.285358	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+K"	38.963158
"303402"	898.307417	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+H+K"	39.970434
"703484"	1337.468517	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+H+K"	39.970434
"1460952"	459.146317	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H+K"	39.970434
"249190"	1798.678226	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+ACN+H"	42.033826
"1221895"	920.356026	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+ACN+H"	42.033826
"1207603"	460.681651	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+ACN+2H"	43.041102
"199743"	1801.61556	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+2Na-H"	44.97116
"636023"	2679.93776	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+2Na-H"	44.97116
"1138436"	923.29336	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2Na-H"	44.97116
"174192"	901.311418	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+2Na"	45.978436
"618007"	1340.472518	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+2Na"	45.978436
"1117380"	462.150318	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2Na"	45.978436
"1400659"	308.435970666667	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H+2Na"	46.985712
"1434964"	925.334946	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H+HCOOH"	47.012746
"227940"	906.34444	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+3H2O+2H"	56.04448
"1516004"	939.38699	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+IsoProp+H"	61.06479
"416784"	909.298388	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+Na+K"	61.952376
"781061"	1348.459488	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+Na+K"	61.952376
"1671931"	470.137288	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Na+K"	61.952376
"256263"	1820.660168	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+ACN+Na"	64.015768
"1231156"	942.337968	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+ACN+Na"	64.015768
"1717861"	942.361493	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+NH4+HCOOH"	64.039293
"1190507"	315.763284666667	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+3Na"	68.967654
"1662950"	947.316888	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Na+HCOOH"	68.994688
"164345"	1833.56344	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+2K-H"	76.91904
"600625"	2711.88564	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+2K-H"	76.91904
"1088419"	955.24124	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2K-H"	76.91904
"146331"	917.285358	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"2M+2K"	77.926316
"588080"	1356.446458	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"3M+2K"	77.926316
"1071502"	478.124258	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2K"	77.926316
"1104712"	957.255792	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2K+H"	78.933592
"1340003"	957.343407	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+DMSO+H"	79.021207
"1015094"	961.382576	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2ACN+H"	83.060376
"1533219"	962.376208	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+IsoProp+Na+H"	84.054008
"997480"	481.194926	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+2ACN+2H"	84.067652
"1588704"	963.290828	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+K+HCOOH"	84.968628
"1422018"	993.322338	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+H+CF3COOH"	115.000138
"1156680"	501.708201	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+3ACN+2H"	125.094202
"1704045"	1010.348885	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+NH4+CF3COOH"	132.026685
"1647351"	1015.30428	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+Na+CF3COOH"	136.98208
"1574256"	1031.27822	"C05772"	"Precorrin 3A"	"C43H50N4O16"	"878.3222"	"M+K+CF3COOH"	152.95602
"810090"	938.336	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M"	0
"980346"	919.31761	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-H2O-H"	-19.01839
"67492"	624.550057333333	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M-3H"	-3.021828
"508147"	937.328724	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M-3H"	-3.021828
"884126"	311.771390666667	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-3H"	-3.021828
"4521"	937.328724	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M-2H"	-2.014552
"447362"	1406.496724	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M-2H"	-2.014552
"822977"	468.160724	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-2H"	-2.014552
"80782"	1875.664724	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M-H"	-1.007276
"523623"	2814.000724	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M-H"	-1.007276
"900338"	937.328724	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-H"	-1.007276
"54715"	1892.691271	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M-2H+NH4"	16.019271
"494275"	2831.027271	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M-2H+NH4"	16.019271
"875358"	954.355271	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-2H+NH4"	16.019271
"34511"	1897.646666	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M-2H+Na"	20.974666
"480634"	2835.982666	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M-2H+Na"	20.974666
"855155"	959.310666	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-2H+Na"	20.974666
"1626876"	959.310666	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Na-2H"	20.974666
"99032"	955.317063	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M-H+Cl"	33.962126
"539686"	1424.485063	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M-H+Cl"	33.962126
"935388"	486.149063	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-H+Cl"	33.962126
"271027"	1911.641402	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+Cl"	34.969402
"660892"	2849.977402	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+Cl"	34.969402
"1279862"	973.305402	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Cl"	34.969402
"24607"	1913.620606	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M-2H+K"	36.948606
"463073"	2851.956606	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M-2H+K"	36.948606
"839781"	975.284606	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-2H+K"	36.948606
"1558163"	975.284606	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+K-2H"	36.948606
"947869"	983.334194	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-H+HCOOH"	44.998194
"366084"	1921.670201	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+HCOOH-H"	44.998201
"353250"	1935.685851	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+Hac-H"	59.013851
"1496251"	997.349851	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Hac-H"	59.013851
"960880"	1005.316151	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-H+NaCOOH"	66.980151
"114890"	973.305402	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+2Cl"	69.938804
"555178"	1442.473402	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+2Cl"	69.938804
"1030179"	504.137402	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2Cl"	69.938804
"1244650"	1017.254885	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Br"	78.918885
"1309287"	1019.310872	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Cl+HCOOH"	80.974872
"1327513"	1041.292829	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Cl+NaCOOH"	102.956829
"918573"	1051.321586	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M-H+CF3COOH"	112.985586
"1294554"	1087.298264	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Cl+CF3COOH"	148.962264
"1377818"	903.323324	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H-2H2O"	-35.012676
"1388025"	921.3333	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H-H2O"	-17.0027
"290626"	1877.679276	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+H"	1.007276
"683050"	2816.015276	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+H"	1.007276
"1359397"	939.343276	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H"	1.007276
"131196"	939.343276	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+2H"	2.014552
"575133"	1408.511276	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+2H"	2.014552
"1042840"	470.175276	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2H"	2.014552
"209648"	626.564609333333	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+3H"	3.021828
"655771"	939.343276	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+3H"	3.021828
"1171707"	313.785942666667	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+3H"	3.021828
"432793"	1894.705823	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+NH4"	18.033823
"794882"	2833.041823	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+NH4"	18.033823
"1691212"	956.369823	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+NH4"	18.033823
"332930"	947.8565495	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+H+NH4"	19.041099
"725352"	1417.0245495	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+H+NH4"	19.041099
"1479898"	478.6885495	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H+NH4"	19.041099
"395666"	1899.661218	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+Na"	22.989218
"756661"	2837.997218	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+Na"	22.989218
"1605002"	961.325218	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Na"	22.989218
"316984"	950.334247	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+H+Na"	23.996494
"708433"	1419.502247	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+H+Na"	23.996494
"1463226"	481.166247	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H+Na"	23.996494
"1054405"	321.113256666667	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2H+Na"	25.00377
"1258269"	971.369486	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+CH3OH+H"	33.033486
"381097"	1915.635158	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+K"	38.963158
"747562"	2853.971158	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+K"	38.963158
"1548524"	977.299158	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+K"	38.963158
"303512"	958.321217	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+H+K"	39.970434
"698124"	1427.489217	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+H+K"	39.970434
"1460942"	489.153217	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H+K"	39.970434
"249669"	1918.705826	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+ACN+H"	42.033826
"1223100"	980.369826	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+ACN+H"	42.033826
"1209173"	490.688551	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+ACN+2H"	43.041102
"197667"	1921.64316	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+2Na-H"	44.97116
"635040"	2859.97916	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+2Na-H"	44.97116
"1135266"	983.30716	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2Na-H"	44.97116
"173695"	961.325218	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+2Na"	45.978436
"615930"	1430.493218	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+2Na"	45.978436
"1116031"	492.157218	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2Na"	45.978436
"1400769"	328.440570666667	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H+2Na"	46.985712
"1431794"	985.348746	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H+HCOOH"	47.012746
"226957"	966.35824	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+3H2O+2H"	56.04448
"1516114"	999.40079	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+IsoProp+H"	61.06479
"417987"	969.312188	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+Na+K"	61.952376
"775703"	1438.480188	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+Na+K"	61.952376
"1672040"	500.144188	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Na+K"	61.952376
"256372"	1940.687768	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+ACN+Na"	64.015768
"1232358"	1002.351768	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+ACN+Na"	64.015768
"1719060"	1002.375293	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+NH4+HCOOH"	64.039293
"1180046"	335.767884666667	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+3Na"	68.967654
"1651031"	1007.330688	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Na+HCOOH"	68.994688
"161175"	1953.59104	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+2K-H"	76.91904
"600735"	2891.92704	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+2K-H"	76.91904
"1088529"	1015.25504	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2K-H"	76.91904
"147534"	977.299158	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"2M+2K"	77.926316
"587096"	1446.467158	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"3M+2K"	77.926316
"1074892"	508.131158	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2K"	77.926316
"1107009"	1017.269592	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2K+H"	78.933592
"1341206"	1017.357207	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+DMSO+H"	79.021207
"1014111"	1021.396376	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2ACN+H"	83.060376
"1537703"	1022.390008	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+IsoProp+Na+H"	84.054008
"997590"	511.201826	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+2ACN+2H"	84.067652
"1593187"	1023.304628	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+K+HCOOH"	84.968628
"1423221"	1053.336138	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+H+CF3COOH"	115.000138
"1156790"	531.715101	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+3ACN+2H"	125.094202
"1704155"	1070.362685	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+NH4+CF3COOH"	132.026685
"1647461"	1075.31808	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+Na+CF3COOH"	136.98208
"1573271"	1091.29202	"C05773"	"Cobyrinate;Cobyrinic acid;Cob(II)yrinate;Cob(II)yrinic acid"	"C45H59CoN4O14"	"938.336"	"M+K+CF3COOH"	152.95602
"810200"	989.4897	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M"	0
"983735"	970.47131	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-H2O-H"	-19.01839
"67602"	658.652524	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M-3H"	-3.021828
"508256"	988.482424	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M-3H"	-3.021828
"884965"	328.822624	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-3H"	-3.021828
"3538"	988.482424	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M-2H"	-2.014552
"444192"	1483.227274	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M-2H"	-2.014552
"821994"	493.737574	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-2H"	-2.014552
"79799"	1977.972124	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M-H"	-1.007276
"522640"	2967.461824	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M-H"	-1.007276
"900448"	988.482424	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-H"	-1.007276
"55918"	1994.998671	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M-2H+NH4"	16.019271
"491105"	2984.488371	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M-2H+NH4"	16.019271
"870000"	1005.508971	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-2H+NH4"	16.019271
"34621"	1999.954066	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M-2H+Na"	20.974666
"479651"	2989.443766	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M-2H+Na"	20.974666
"855265"	1010.464366	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-2H+Na"	20.974666
"1628079"	1010.464366	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Na-2H"	20.974666
"98049"	1006.470763	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M-H+Cl"	33.962126
"537609"	1501.215613	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M-H+Cl"	33.962126
"933311"	511.725913	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-H+Cl"	33.962126
"272959"	2013.948802	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+Cl"	34.969402
"660640"	3003.438502	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+Cl"	34.969402
"1274504"	1024.459102	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Cl"	34.969402
"25810"	2015.928006	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M-2H+K"	36.948606
"457715"	3005.417706	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M-2H+K"	36.948606
"836975"	1026.438306	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-2H+K"	36.948606
"1557909"	1026.438306	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+K-2H"	36.948606
"947980"	1034.487894	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-H+HCOOH"	44.998194
"365466"	2023.977601	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+HCOOH-H"	44.998201
"350807"	2037.993251	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+Hac-H"	59.013851
"1496360"	1048.503551	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Hac-H"	59.013851
"961716"	1056.469851	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-H+NaCOOH"	66.980151
"111351"	1024.459102	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+2Cl"	69.938804
"551643"	1519.203952	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+2Cl"	69.938804
"1028464"	529.714252	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2Cl"	69.938804
"1242938"	1068.408585	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Br"	78.918885
"1309033"	1070.464572	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Cl+HCOOH"	80.974872
"1326530"	1092.446529	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Cl+NaCOOH"	102.956829
"917590"	1102.475286	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M-H+CF3COOH"	112.985586
"1298672"	1138.451964	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Cl+CF3COOH"	148.962264
"1377564"	954.477024	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H-2H2O"	-35.012676
"1387772"	972.487	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H-H2O"	-17.0027
"289643"	1979.986676	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+H"	1.007276
"685347"	2969.476376	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+H"	1.007276
"1358414"	990.496976	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H"	1.007276
"131306"	990.496976	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+2H"	2.014552
"575243"	1485.241826	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+2H"	2.014552
"1041856"	495.752126	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2H"	2.014552
"215224"	660.667076	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+3H"	3.021828
"656974"	990.496976	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+3H"	3.021828
"1174004"	330.837176	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+3H"	3.021828
"436182"	1997.013223	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+NH4"	18.033823
"796086"	2986.502923	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+NH4"	18.033823
"1690227"	1007.523523	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+NH4"	18.033823
"333040"	999.0102495	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+H+NH4"	19.041099
"724369"	1493.7550995	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+H+NH4"	19.041099
"1479644"	504.2653995	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H+NH4"	19.041099
"393952"	2001.968618	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+Na"	22.989218
"757864"	2991.458318	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+Na"	22.989218
"1608149"	1012.478918	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Na"	22.989218
"318186"	1001.487947	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+H+Na"	23.996494
"710608"	1496.232797	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+H+Na"	23.996494
"1467710"	506.743097	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H+Na"	23.996494
"1060954"	338.16449	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2H+Na"	25.00377
"1259352"	1022.523186	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+CH3OH+H"	33.033486
"381207"	2017.942558	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+K"	38.963158
"747672"	3007.432258	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+K"	38.963158
"1548634"	1028.452858	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+K"	38.963158
"302529"	1009.474917	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+H+K"	39.970434
"693128"	1504.219767	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+H+K"	39.970434
"1458621"	514.730067	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H+K"	39.970434
"250143"	2021.013226	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+ACN+H"	42.033826
"1223210"	1031.523526	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+ACN+H"	42.033826
"1207458"	516.265401	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+ACN+2H"	43.041102
"195590"	2023.95056	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+2Na-H"	44.97116
"635150"	3013.44026	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+2Na-H"	44.97116
"1135376"	1034.46086	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2Na-H"	44.97116
"173563"	1012.478918	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+2Na"	45.978436
"614946"	1507.223768	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+2Na"	45.978436
"1116265"	517.734068	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2Na"	45.978436
"1401972"	345.491804	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H+2Na"	46.985712
"1432997"	1036.502446	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H+HCOOH"	47.012746
"224879"	1017.51194	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+3H2O+2H"	56.04448
"1515130"	1050.55449	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+IsoProp+H"	61.06479
"411537"	1020.465888	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+Na+K"	61.952376
"775813"	1515.210738	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+Na+K"	61.952376
"1673967"	525.721038	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Na+K"	61.952376
"259760"	2042.995168	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+ACN+Na"	64.015768
"1235747"	1053.505468	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+ACN+Na"	64.015768
"1720263"	1053.528993	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+NH4+HCOOH"	64.039293
"1180156"	352.819118	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+3Na"	68.967654
"1651869"	1058.484388	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Na+HCOOH"	68.994688
"164565"	2055.89844	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+2K-H"	76.91904
"601939"	3045.38814	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+2K-H"	76.91904
"1088639"	1066.40874	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2K-H"	76.91904
"148737"	1028.452858	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"2M+2K"	77.926316
"588298"	1523.197708	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"3M+2K"	77.926316
"1072815"	533.708008	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2K"	77.926316
"1107119"	1068.423292	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2K+H"	78.933592
"1341316"	1068.510907	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+DMSO+H"	79.021207
"1014221"	1072.550076	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2ACN+H"	83.060376
"1535626"	1073.543708	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+IsoProp+Na+H"	84.054008
"997700"	536.778676	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+2ACN+2H"	84.067652
"1592204"	1074.458328	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+K+HCOOH"	84.968628
"1420051"	1104.489838	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+H+CF3COOH"	115.000138
"1156900"	557.291951	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+3ACN+2H"	125.094202
"1704265"	1121.516385	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+NH4+CF3COOH"	132.026685
"1647571"	1126.47178	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+Na+CF3COOH"	136.98208
"1573381"	1142.44572	"C05774"	"Cobinamide;Cob(I)inamide"	"C48H72CoN11O8"	"989.4897"	"M+K+CF3COOH"	152.95602
"812497"	278.1267	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M"	0
"983845"	259.10831	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-H2O-H"	-19.01839
"65526"	184.410524	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M-3H"	-3.021828
"505087"	277.119424	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M-3H"	-3.021828
"882159"	91.701624	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-3H"	-3.021828
"3648"	277.119424	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M-2H"	-2.014552
"444302"	416.182774	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M-2H"	-2.014552
"819917"	138.056074	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-2H"	-2.014552
"79909"	555.246124	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M-H"	-1.007276
"521657"	833.372824	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M-H"	-1.007276
"897399"	277.119424	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-H"	-1.007276
"48374"	572.272671	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M-2H+NH4"	16.019271
"490121"	850.399371	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M-2H+NH4"	16.019271
"864397"	294.145971	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-2H+NH4"	16.019271
"32786"	577.228066	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M-2H+Na"	20.974666
"475387"	855.354766	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M-2H+Na"	20.974666
"853188"	299.101366	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-2H+Na"	20.974666
"1626002"	299.101366	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Na-2H"	20.974666
"97066"	295.107763	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M-H+Cl"	33.962126
"535897"	434.171113	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M-H+Cl"	33.962126
"931599"	156.044413	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-H+Cl"	33.962126
"271976"	591.222802	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+Cl"	34.969402
"660258"	869.349502	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+Cl"	34.969402
"1273763"	313.096102	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Cl"	34.969402
"22275"	593.202006	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M-2H+K"	36.948606
"457702"	871.328706	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M-2H+K"	36.948606
"834169"	315.075306	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-2H+K"	36.948606
"1556030"	315.075306	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+K-2H"	36.948606
"944445"	323.124894	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-H+HCOOH"	44.998194
"361491"	601.251601	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+HCOOH-H"	44.998201
"349460"	615.267251	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+Hac-H"	59.013851
"1493916"	337.140551	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Hac-H"	59.013851
"961459"	345.106851	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-H+NaCOOH"	66.980151
"109993"	313.096102	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+2Cl"	69.938804
"550291"	452.159452	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+2Cl"	69.938804
"1024560"	174.032752	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2Cl"	69.938804
"1241432"	357.045585	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Br"	78.918885
"1304358"	359.101572	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Cl+HCOOH"	80.974872
"1320151"	381.083529	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Cl+NaCOOH"	102.956829
"917700"	391.112286	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M-H+CF3COOH"	112.985586
"1301698"	427.088964	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Cl+CF3COOH"	148.962264
"1378038"	243.114024	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H-2H2O"	-35.012676
"1391163"	261.124	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H-H2O"	-17.0027
"291577"	557.260676	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+H"	1.007276
"685457"	835.387376	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+H"	1.007276
"1357431"	279.133976	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H"	1.007276
"133239"	279.133976	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+2H"	2.014552
"572072"	418.197326	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+2H"	2.014552
"1041965"	140.070626	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2H"	2.014552
"214239"	186.425076	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+3H"	3.021828
"650521"	279.133976	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+3H"	3.021828
"1171926"	93.716176	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+3H"	3.021828
"430828"	574.287223	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+NH4"	18.033823
"796193"	852.413923	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+NH4"	18.033823
"1687056"	296.160523	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+NH4"	18.033823
"331085"	287.6472495	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+H+NH4"	19.041099
"723506"	426.7105995	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+H+NH4"	19.041099
"1480481"	148.5838995	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H+NH4"	19.041099
"393696"	579.242618	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+Na"	22.989218
"755299"	857.369318	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+Na"	22.989218
"1606073"	301.115918	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Na"	22.989218
"318662"	290.124947	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+H+Na"	23.996494
"711813"	429.188297	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+H+Na"	23.996494
"1467820"	151.061597	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H+Na"	23.996494
"1057785"	101.04349	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2H+Na"	25.00377
"1258369"	311.160186	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+CH3OH+H"	33.033486
"386785"	595.216558	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+K"	38.963158
"748876"	873.343258	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+K"	38.963158
"1548744"	317.089858	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+K"	38.963158
"303733"	298.111917	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+H+K"	39.970434
"695062"	437.175267	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+H+K"	39.970434
"1457638"	159.048567	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H+K"	39.970434
"250129"	598.287226	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+ACN+H"	42.033826
"1221134"	320.160526	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+ACN+H"	42.033826
"1206109"	160.583901	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+ACN+2H"	43.041102
"195700"	601.22456	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+2Na-H"	44.97116
"634166"	879.35126	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+2Na-H"	44.97116
"1135486"	323.09786	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2Na-H"	44.97116
"177681"	301.115918	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+2Na"	45.978436
"615053"	440.179268	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+2Na"	45.978436
"1124755"	162.052568	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2Na"	45.978436
"1405728"	108.370804	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H+2Na"	46.985712
"1436388"	325.139446	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H+HCOOH"	47.012746
"228998"	306.14894	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+3H2O+2H"	56.04448
"1518882"	339.19149	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+IsoProp+H"	61.06479
"416746"	309.102888	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+Na+K"	61.952376
"775924"	448.166238	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+Na+K"	61.952376
"1672255"	170.039538	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Na+K"	61.952376
"259869"	620.269168	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+ACN+Na"	64.015768
"1232579"	342.142468	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+ACN+Na"	64.015768
"1720373"	342.165993	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+NH4+HCOOH"	64.039293
"1183546"	115.698118	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+3Na"	68.967654
"1654531"	347.121388	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Na+HCOOH"	68.994688
"159208"	633.17244	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+2K-H"	76.91904
"602049"	911.29914	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+2K-H"	76.91904
"1088749"	355.04574	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2K-H"	76.91904
"147753"	317.089858	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"2M+2K"	77.926316
"586222"	456.153208	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"3M+2K"	77.926316
"1071831"	178.026508	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2K"	77.926316
"1106135"	357.060292	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2K+H"	78.933592
"1339238"	357.147907	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+DMSO+H"	79.021207
"1011048"	361.187076	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2ACN+H"	83.060376
"1526987"	362.180708	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+IsoProp+Na+H"	84.054008
"995622"	181.097176	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+2ACN+2H"	84.067652
"1591219"	363.095328	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+K+HCOOH"	84.968628
"1420160"	393.126838	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+H+CF3COOH"	115.000138
"1157010"	201.610451	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+3ACN+2H"	125.094202
"1704375"	410.153385	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+NH4+CF3COOH"	132.026685
"1648411"	415.10878	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+Na+CF3COOH"	136.98208
"1573491"	431.08272	"C05775"	"alpha-Ribazole;N1-(alpha-D-Ribosyl)-56-dimethylbenzimidazole"	"C14H18N2O4"	"278.1267"	"M+K+CF3COOH"	152.95602
"813702"	905.2868	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M"	0
"978486"	886.26841	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-H2O-H"	-19.01839
"65636"	602.517257333333	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M-3H"	-3.021828
"506289"	904.279524	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M-3H"	-3.021828
"881539"	300.754990666667	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-3H"	-3.021828
"4123"	904.279524	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M-2H"	-2.014552
"445506"	1356.922924	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M-2H"	-2.014552
"818205"	451.636124	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-2H"	-2.014552
"79165"	1809.566324	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M-H"	-1.007276
"522863"	2714.853124	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M-H"	-1.007276
"898478"	904.279524	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-H"	-1.007276
"50666"	1826.592871	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M-2H+NH4"	16.019271
"492419"	2731.879671	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M-2H+NH4"	16.019271
"866936"	921.306071	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-2H+NH4"	16.019271
"32771"	1831.548266	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M-2H+Na"	20.974666
"477682"	2736.835066	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M-2H+Na"	20.974666
"851110"	926.261466	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-2H+Na"	20.974666
"1619671"	926.261466	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Na-2H"	20.974666
"100453"	922.267863	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M-H+Cl"	33.962126
"540014"	1374.911263	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M-H+Cl"	33.962126
"932436"	469.624463	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-H+Cl"	33.962126
"269899"	1845.543002	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+Cl"	34.969402
"661591"	2750.829802	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+Cl"	34.969402
"1275816"	940.256202	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Cl"	34.969402
"18374"	1847.522206	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M-2H+K"	36.948606
"456838"	2752.809006	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M-2H+K"	36.948606
"835006"	942.235406	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-2H+K"	36.948606
"1558130"	942.235406	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+K-2H"	36.948606
"943701"	950.284994	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-H+HCOOH"	44.998194
"364227"	1855.571801	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+HCOOH-H"	44.998201
"347746"	1869.587451	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+Hac-H"	59.013851
"1497672"	964.300651	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Hac-H"	59.013851
"964852"	972.266951	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-H+NaCOOH"	66.980151
"112300"	940.256202	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+2Cl"	69.938804
"552590"	1392.899602	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+2Cl"	69.938804
"1023212"	487.612802	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2Cl"	69.938804
"1242425"	984.205685	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Br"	78.918885
"1306332"	986.261672	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Cl+HCOOH"	80.974872
"1319930"	1008.243629	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Cl+NaCOOH"	102.956829
"915986"	1018.272386	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M-H+CF3COOH"	112.985586
"1290869"	1054.249064	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Cl+CF3COOH"	148.962264
"1369396"	870.274124	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H-2H2O"	-35.012676
"1385799"	888.2841	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H-H2O"	-17.0027
"291321"	1811.580876	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+H"	1.007276
"680099"	2716.867676	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+H"	1.007276
"1358638"	906.294076	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H"	1.007276
"129705"	906.294076	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+2H"	2.014552
"570358"	1358.937476	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+2H"	2.014552
"1045355"	453.650676	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2H"	2.014552
"214349"	604.531809333333	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+3H"	3.021828
"652817"	906.294076	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+3H"	3.021828
"1172765"	302.769542666667	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+3H"	3.021828
"430938"	1828.607423	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+NH4"	18.033823
"791934"	2733.894223	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+NH4"	18.033823
"1690447"	923.320623	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+NH4"	18.033823
"334355"	914.8073495	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+H+NH4"	19.041099
"723734"	1367.4507495	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+H+NH4"	19.041099
"1480232"	462.1639495	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H+NH4"	19.041099
"395631"	1833.562818	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+Na"	22.989218
"755897"	2738.849618	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+Na"	22.989218
"1604360"	928.276018	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Na"	22.989218
"315488"	917.285047	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+H+Na"	23.996494
"708882"	1369.928447	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+H+Na"	23.996494
"1463557"	464.641647	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H+Na"	23.996494
"1056801"	310.096856666667	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2H+Na"	25.00377
"1263946"	938.320286	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+CH3OH+H"	33.033486
"386896"	1849.536758	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+K"	38.963158
"745705"	2754.823558	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+K"	38.963158
"1547759"	944.249958	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+K"	38.963158
"300926"	925.272017	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+H+K"	39.970434
"698452"	1377.915417	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+H+K"	39.970434
"1454462"	472.628617	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H+K"	39.970434
"244160"	1852.607426	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+ACN+H"	42.033826
"1219058"	947.320626	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+ACN+H"	42.033826
"1205128"	474.163951	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+ACN+2H"	43.041102
"192530"	1855.54476	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+2Na-H"	44.97116
"634277"	2760.83156	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+2Na-H"	44.97116
"1134503"	950.25796	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2Na-H"	44.97116
"176699"	928.276018	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+2Na"	45.978436
"617350"	1380.919418	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+2Na"	45.978436
"1121949"	475.632618	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2Na"	45.978436
"1403287"	317.424170666667	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H+2Na"	46.985712
"1434308"	952.299546	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H+HCOOH"	47.012746
"229470"	933.30904	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+3H2O+2H"	56.04448
"1515346"	966.35159	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+IsoProp+H"	61.06479
"416132"	936.262988	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+Na+K"	61.952376
"776034"	1388.906388	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+Na+K"	61.952376
"1673459"	483.619588	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Na+K"	61.952376
"258885"	1874.589368	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+ACN+Na"	64.015768
"1231233"	969.302568	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+ACN+Na"	64.015768
"1718302"	969.326093	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+NH4+HCOOH"	64.039293
"1183656"	324.751484666667	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+3Na"	68.967654
"1651723"	974.281488	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Na+HCOOH"	68.994688
"169158"	1887.49264	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+2K-H"	76.91904
"606533"	2792.77944	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+2K-H"	76.91904
"1095420"	982.20584	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2K-H"	76.91904
"146769"	944.249958	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"2M+2K"	77.926316
"587424"	1396.893358	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"3M+2K"	77.926316
"1078501"	491.606558	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2K"	77.926316
"1108431"	984.220392	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2K+H"	78.933592
"1344814"	984.308007	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+DMSO+H"	79.021207
"1014437"	988.347176	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2ACN+H"	83.060376
"1531470"	989.340808	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+IsoProp+Na+H"	84.054008
"999011"	494.677226	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+2ACN+2H"	84.067652
"1595702"	990.255428	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+K+HCOOH"	84.968628
"1426829"	1020.286938	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+H+CF3COOH"	115.000138
"1154930"	515.190501	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+3ACN+2H"	125.094202
"1701202"	1037.313485	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+NH4+CF3COOH"	132.026685
"1637951"	1042.26888	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+Na+CF3COOH"	136.98208
"1575790"	1058.24282	"C05777"	"Coenzyme F430;Factor F430"	"C42H51N6NiO13"	"905.2868"	"M+K+CF3COOH"	152.95602
"816000"	862.2909	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M"	0
"984065"	843.27251	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-H2O-H"	-19.01839
"65747"	573.853324	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M-3H"	-3.021828
"505670"	861.283624	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M-3H"	-3.021828
"883108"	286.423024	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-3H"	-3.021828
"4964"	861.283624	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M-2H"	-2.014552
"445616"	1292.429074	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M-2H"	-2.014552
"821232"	430.138174	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-2H"	-2.014552
"81224"	1723.574524	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M-H"	-1.007276
"522973"	2585.865424	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M-H"	-1.007276
"902964"	861.283624	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-H"	-1.007276
"52962"	1740.601071	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M-2H+NH4"	16.019271
"495809"	2602.891971	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M-2H+NH4"	16.019271
"867046"	878.310171	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-2H+NH4"	16.019271
"36039"	1745.556466	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M-2H+Na"	20.974666
"477792"	2607.847366	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M-2H+Na"	20.974666
"849757"	883.265566	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-2H+Na"	20.974666
"1620022"	883.265566	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Na-2H"	20.974666
"96190"	879.271963	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M-H+Cl"	33.962126
"536844"	1310.417413	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M-H+Cl"	33.962126
"927926"	448.126513	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-H+Cl"	33.962126
"267573"	1759.551202	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+Cl"	34.969402
"661822"	2621.842102	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+Cl"	34.969402
"1273616"	897.260302	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Cl"	34.969402
"18484"	1761.530406	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M-2H+K"	36.948606
"456827"	2623.821306	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M-2H+K"	36.948606
"834387"	899.239506	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-2H+K"	36.948606
"1556416"	899.239506	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+K-2H"	36.948606
"943445"	907.289094	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-H+HCOOH"	44.998194
"362878"	1769.580001	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+HCOOH-H"	44.998201
"351137"	1783.595651	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+Hac-H"	59.013851
"1495229"	921.304751	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Hac-H"	59.013851
"961315"	929.271051	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-H+NaCOOH"	66.980151
"111681"	897.260302	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+2Cl"	69.938804
"550632"	1328.405752	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+2Cl"	69.938804
"1021862"	466.114852	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2Cl"	69.938804
"1241678"	941.209785	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Br"	78.918885
"1307169"	943.265772	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Cl+HCOOH"	80.974872
"1320409"	965.247729	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Cl+NaCOOH"	102.956829
"912447"	975.276486	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M-H+CF3COOH"	112.985586
"1288514"	1011.253164	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Cl+CF3COOH"	148.962264
"1367155"	827.278224	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H-2H2O"	-35.012676
"1386273"	845.2882	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H-H2O"	-17.0027
"286692"	1725.589076	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+H"	1.007276
"679115"	2587.879976	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+H"	1.007276
"1362028"	863.298176	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H"	1.007276
"127264"	863.298176	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+2H"	2.014552
"569010"	1294.443626	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+2H"	2.014552
"1045465"	432.152726	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2H"	2.014552
"217741"	575.867876	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+3H"	3.021828
"648553"	863.298176	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+3H"	3.021828
"1168865"	288.437576	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+3H"	3.021828
"435419"	1742.615623	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+NH4"	18.033823
"796416"	2604.906523	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+NH4"	18.033823
"1689466"	880.324723	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+NH4"	18.033823
"331547"	871.8114495	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+H+NH4"	19.041099
"725064"	1302.9568995	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+H+NH4"	19.041099
"1478886"	440.6659995	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H+NH4"	19.041099
"395377"	1747.571018	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+Na"	22.989218
"755155"	2609.861918	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+Na"	22.989218
"1605200"	885.280118	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Na"	22.989218
"316326"	874.289147	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+H+Na"	23.996494
"712029"	1305.434597	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+H+Na"	23.996494
"1464029"	443.143697	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H+Na"	23.996494
"1059099"	295.76489	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2H+Na"	25.00377
"1269529"	895.324386	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+CH3OH+H"	33.033486
"387006"	1763.544958	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+K"	38.963158
"744722"	2625.835858	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+K"	38.963158
"1546776"	901.254058	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+K"	38.963158
"302862"	882.276117	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+H+K"	39.970434
"695282"	1313.421567	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+H+K"	39.970434
"1452386"	451.130667	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H+K"	39.970434
"246458"	1766.615626	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+ACN+H"	42.033826
"1219168"	904.324726	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+ACN+H"	42.033826
"1204145"	452.666001	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+ACN+2H"	43.041102
"198107"	1769.55296	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+2Na-H"	44.97116
"635480"	2631.84386	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+2Na-H"	44.97116
"1134613"	907.26206	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2Na-H"	44.97116
"180090"	885.280118	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+2Na"	45.978436
"617462"	1316.425568	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+2Na"	45.978436
"1122060"	454.134668	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2Na"	45.978436
"1404490"	303.092204	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H+2Na"	46.985712
"1437698"	909.303646	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H+HCOOH"	47.012746
"229946"	890.31314	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+3H2O+2H"	56.04448
"1514727"	923.35569	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+IsoProp+H"	61.06479
"416244"	893.267088	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+Na+K"	61.952376
"777238"	1324.412538	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+Na+K"	61.952376
"1675393"	462.121638	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Na+K"	61.952376
"258996"	1788.597568	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+ACN+Na"	64.015768
"1232799"	926.306668	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+ACN+Na"	64.015768
"1717683"	926.330193	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+NH4+HCOOH"	64.039293
"1183766"	310.419518	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+3Na"	68.967654
"1652318"	931.285588	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Na+HCOOH"	68.994688
"169268"	1801.50084	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+2K-H"	76.91904
"605550"	2663.79174	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+2K-H"	76.91904
"1092250"	939.20994	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2K-H"	76.91904
"146879"	901.254058	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"2M+2K"	77.926316
"584253"	1332.399508	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"3M+2K"	77.926316
"1078611"	470.108608	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2K"	77.926316
"1109632"	941.224492	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2K+H"	78.933592
"1342736"	941.312107	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+DMSO+H"	79.021207
"1012359"	945.351276	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2ACN+H"	83.060376
"1532675"	946.344908	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+IsoProp+Na+H"	84.054008
"998028"	473.179276	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+2ACN+2H"	84.067652
"1595812"	947.259528	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+K+HCOOH"	84.968628
"1425846"	977.291038	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+H+CF3COOH"	115.000138
"1155040"	493.692551	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+3ACN+2H"	125.094202
"1700220"	994.317585	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+NH4+CF3COOH"	132.026685
"1641341"	999.27298	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+Na+CF3COOH"	136.98208
"1575900"	1015.24692	"C05778"	"Sirohydrochlorin"	"C42H46N4O16"	"862.2909"	"M+K+CF3COOH"	152.95602
"813928"	586.2791	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M"	0
"978714"	567.26071	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-H2O-H"	-19.01839
"65134"	389.845457333333	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M-3H"	-3.021828
"505423"	585.271824	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M-3H"	-3.021828
"888697"	194.419090666667	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-3H"	-3.021828
"10551"	585.271824	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M-2H"	-2.014552
"443551"	878.411374	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M-2H"	-2.014552
"824634"	292.132274	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-2H"	-2.014552
"86813"	1171.550924	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M-H"	-1.007276
"530383"	1757.830024	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M-H"	-1.007276
"901988"	585.271824	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-H"	-1.007276
"61104"	1188.577471	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M-2H+NH4"	16.019271
"498111"	1774.856571	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M-2H+NH4"	16.019271
"878101"	602.298371	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-2H+NH4"	16.019271
"43814"	1193.532866	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M-2H+Na"	20.974666
"484468"	1779.811966	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M-2H+Na"	20.974666
"857895"	607.253766	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-2H+Na"	20.974666
"1625241"	607.253766	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Na-2H"	20.974666
"96301"	603.260163	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M-H+Cl"	33.962126
"542424"	896.399713	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M-H+Cl"	33.962126
"930471"	310.120613	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-H+Cl"	33.962126
"276684"	1207.527602	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+Cl"	34.969402
"665094"	1793.806702	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+Cl"	34.969402
"1279684"	621.248502	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Cl"	34.969402
"21512"	1209.506806	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M-2H+K"	36.948606
"463626"	1795.785906	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M-2H+K"	36.948606
"839241"	623.227706	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-2H+K"	36.948606
"1561638"	623.227706	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+K-2H"	36.948606
"944777"	631.277294	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-H+HCOOH"	44.998194
"362629"	1217.556401	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+HCOOH-H"	44.998201
"347606"	1231.572051	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+Hac-H"	59.013851
"1494252"	645.292951	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Hac-H"	59.013851
"959972"	653.259251	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-H+NaCOOH"	66.980151
"112890"	621.248502	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+2Cl"	69.938804
"557556"	914.388052	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+2Cl"	69.938804
"1031460"	328.108952	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2Cl"	69.938804
"1249216"	665.197985	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Br"	78.918885
"1307657"	667.253972	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Cl+HCOOH"	80.974872
"1328075"	689.235929	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Cl+NaCOOH"	102.956829
"918039"	699.264686	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M-H+CF3COOH"	112.985586
"1292560"	735.241364	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Cl+CF3COOH"	148.962264
"1372908"	551.266424	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H-2H2O"	-35.012676
"1391498"	569.2764	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H-H2O"	-17.0027
"290092"	1173.565476	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+H"	1.007276
"682512"	1759.844576	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+H"	1.007276
"1354486"	587.286376	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H"	1.007276
"129562"	587.286376	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+2H"	2.014552
"574590"	880.425926	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+2H"	2.014552
"1041205"	294.146826	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2H"	2.014552
"208376"	391.860009333333	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+3H"	3.021828
"649762"	587.286376	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+3H"	3.021828
"1163509"	196.433642666667	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+3H"	3.021828
"424960"	1190.592023	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+NH4"	18.033823
"786073"	1776.871123	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+NH4"	18.033823
"1683013"	604.312923	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+NH4"	18.033823
"332384"	595.7996495	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+H+NH4"	19.041099
"725899"	888.9391995	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+H+NH4"	19.041099
"1478626"	302.6600995	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H+NH4"	19.041099
"393176"	1195.547418	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+Na"	22.989218
"754273"	1781.826518	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+Na"	22.989218
"1604577"	609.268318	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Na"	22.989218
"314655"	598.277347	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+H+Na"	23.996494
"710322"	891.416897	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+H+Na"	23.996494
"1469253"	305.137797	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H+Na"	23.996494
"1063597"	203.760956666667	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2H+Na"	25.00377
"1271845"	619.312586	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+CH3OH+H"	33.033486
"391510"	1211.521358	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+K"	38.963158
"752871"	1797.800458	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+K"	38.963158
"1550181"	625.242258	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+K"	38.963158
"302981"	606.264317	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+H+K"	39.970434
"695401"	899.403867	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+H+K"	39.970434
"1450313"	313.124767	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H+K"	39.970434
"237820"	1214.592026	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+ACN+H"	42.033826
"1210162"	628.312926	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+ACN+H"	42.033826
"1194897"	314.660101	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+ACN+2H"	43.041102
"189955"	1217.52936	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+2Na-H"	44.97116
"630367"	1803.80846	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+2Na-H"	44.97116
"1139099"	631.25026	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2Na-H"	44.97116
"183491"	609.268318	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+2Na"	45.978436
"620497"	902.407868	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+2Na"	45.978436
"1127651"	316.128768	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2Na"	45.978436
"1405709"	211.088270666667	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H+2Na"	46.985712
"1433453"	633.291846	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H+HCOOH"	47.012746
"222419"	614.30134	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+3H2O+2H"	56.04448
"1521052"	647.34389	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+IsoProp+H"	61.06479
"422934"	617.255288	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+Na+K"	61.952376
"779550"	910.394838	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+Na+K"	61.952376
"1678068"	324.115738	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Na+K"	61.952376
"264589"	1236.573968	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+ACN+Na"	64.015768
"1235110"	650.294868	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+ACN+Na"	64.015768
"1724004"	650.318393	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+NH4+HCOOH"	64.039293
"1192642"	218.415584666667	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+3Na"	68.967654
"1662900"	655.273788	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Na+HCOOH"	68.994688
"168299"	1249.47724	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+2K-H"	76.91904
"604578"	1835.75634	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+2K-H"	76.91904
"1089091"	663.19814	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2K-H"	76.91904
"145905"	625.242258	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"2M+2K"	77.926316
"584373"	918.381808	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"3M+2K"	77.926316
"1074353"	332.102708	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2K"	77.926316
"1108658"	665.212692	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2K+H"	78.933592
"1345043"	665.300307	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+DMSO+H"	79.021207
"1018314"	669.339476	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2ACN+H"	83.060376
"1537168"	670.333108	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+IsoProp+Na+H"	84.054008
"1001434"	335.173376	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+2ACN+2H"	84.067652
"1600313"	671.247728	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+K+HCOOH"	84.968628
"1429624"	701.279238	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+H+CF3COOH"	115.000138
"1161364"	355.686651	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+3ACN+2H"	125.094202
"1710554"	718.305785	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+NH4+CF3COOH"	132.026685
"1649482"	723.26118	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+Na+CF3COOH"	136.98208
"1574924"	739.23512	"C05786"	"(3Z)-Phycocyanobilin"	"C33H38N4O6"	"586.2791"	"M+K+CF3COOH"	152.95602
"810758"	936.3277	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M"	0
"977731"	917.30931	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-H2O-H"	-19.01839
"64880"	623.211190666667	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M-3H"	-3.021828
"504439"	935.320424	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M-3H"	-3.021828
"888807"	311.101957333333	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-3H"	-3.021828
"7381"	935.320424	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M-2H"	-2.014552
"444754"	1403.484274	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M-2H"	-2.014552
"824744"	467.156574	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-2H"	-2.014552
"83643"	1871.648124	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M-H"	-1.007276
"530857"	2807.975824	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M-H"	-1.007276
"902098"	935.320424	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-H"	-1.007276
"59755"	1888.674671	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M-2H+NH4"	16.019271
"498221"	2825.002371	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M-2H+NH4"	16.019271
"876023"	952.346971	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-2H+NH4"	16.019271
"37363"	1893.630066	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M-2H+Na"	20.974666
"481297"	2829.957766	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M-2H+Na"	20.974666
"853631"	957.302366	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-2H+Na"	20.974666
"1620247"	957.302366	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Na-2H"	20.974666
"95682"	953.308763	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M-H+Cl"	33.962126
"548002"	1421.472613	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M-H+Cl"	33.962126
"937143"	485.144913	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-H+Cl"	33.962126
"276794"	1907.624802	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+Cl"	34.969402
"668121"	2843.952502	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+Cl"	34.969402
"1279430"	971.297102	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Cl"	34.969402
"20894"	1909.604006	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M-2H+K"	36.948606
"463736"	2845.931706	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M-2H+K"	36.948606
"844818"	973.276306	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-2H+K"	36.948606
"1558467"	973.276306	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+K-2H"	36.948606
"944890"	981.325894	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-H+HCOOH"	44.998194
"363471"	1917.653601	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+HCOOH-H"	44.998201
"346745"	1931.669251	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+Hac-H"	59.013851
"1496188"	995.341551	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Hac-H"	59.013851
"964823"	1003.307851	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-H+NaCOOH"	66.980151
"113002"	971.297102	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+2Cl"	69.938804
"557667"	1439.460952	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+2Cl"	69.938804
"1031934"	503.133252	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2Cl"	69.938804
"1248234"	1015.246585	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Br"	78.918885
"1308861"	1017.302572	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Cl+HCOOH"	80.974872
"1328185"	1039.284529	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Cl+NaCOOH"	102.956829
"918149"	1049.313286	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M-H+CF3COOH"	112.985586
"1292670"	1085.289964	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Cl+CF3COOH"	148.962264
"1373018"	901.315024	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H-2H2O"	-35.012676
"1392701"	919.325	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H-H2O"	-17.0027
"291295"	1873.662676	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+H"	1.007276
"683715"	2809.990376	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+H"	1.007276
"1353503"	937.334976	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H"	1.007276
"129672"	937.334976	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+2H"	2.014552
"573606"	1405.498826	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+2H"	2.014552
"1043502"	469.171126	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2H"	2.014552
"210309"	625.225742666667	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+3H"	3.021828
"648778"	937.334976	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+3H"	3.021828
"1163492"	313.116509333333	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+3H"	3.021828
"424706"	1890.689223	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+NH4"	18.033823
"786792"	2827.016923	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+NH4"	18.033823
"1683123"	954.361523	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+NH4"	18.033823
"333588"	945.8482495	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+H+NH4"	19.041099
"722873"	1414.0120995	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+H+NH4"	19.041099
"1479104"	477.6843995	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H+NH4"	19.041099
"393895"	1895.644618	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+Na"	22.989218
"757319"	2831.972318	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+Na"	22.989218
"1603957"	959.316918	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Na"	22.989218
"314359"	948.325947	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+H+Na"	23.996494
"708974"	1416.489797	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+H+Na"	23.996494
"1464624"	480.162097	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H+Na"	23.996494
"1057136"	320.443823333333	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2H+Na"	25.00377
"1265385"	969.361186	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+CH3OH+H"	33.033486
"389427"	1911.618558	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+K"	38.963158
"748235"	2847.946258	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+K"	38.963158
"1550292"	975.290858	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+K"	38.963158
"303092"	956.312917	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+H+K"	39.970434
"696605"	1424.476767	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+H+K"	39.970434
"1448237"	488.149067	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H+K"	39.970434
"235769"	1914.689226	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+ACN+H"	42.033826
"1209933"	978.361526	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+ACN+H"	42.033826
"1194926"	489.684401	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+ACN+2H"	43.041102
"189944"	1917.62656	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+2Na-H"	44.97116
"628733"	2853.95426	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+2Na-H"	44.97116
"1139209"	981.29886	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2Na-H"	44.97116
"184695"	959.316918	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+2Na"	45.978436
"623160"	1427.480768	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+2Na"	45.978436
"1128491"	491.153068	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2Na"	45.978436
"1405819"	327.771137333333	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H+2Na"	46.985712
"1433563"	983.340446	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H+HCOOH"	47.012746
"222162"	964.34994	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+3H2O+2H"	56.04448
"1516789"	997.39249	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+IsoProp+H"	61.06479
"419761"	967.303888	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+Na+K"	61.952376
"779660"	1435.467738	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+Na+K"	61.952376
"1675991"	499.140038	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Na+K"	61.952376
"264699"	1936.671168	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+ACN+Na"	64.015768
"1234127"	1000.343468	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+ACN+Na"	64.015768
"1724842"	1000.366993	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+NH4+HCOOH"	64.039293
"1189832"	335.098451333333	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+3Na"	68.967654
"1663371"	1005.322388	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Na+HCOOH"	68.994688
"162941"	1949.57444	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+2K-H"	76.91904
"605780"	2885.90214	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+2K-H"	76.91904
"1087376"	1013.24674	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2K-H"	76.91904
"148204"	975.290858	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"2M+2K"	77.926316
"586666"	1443.454708	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"3M+2K"	77.926316
"1073370"	507.127008	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2K"	77.926316
"1109861"	1015.261292	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2K+H"	78.933592
"1341873"	1015.348907	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+DMSO+H"	79.021207
"1020245"	1019.388076	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2ACN+H"	83.060376
"1536185"	1020.381708	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+IsoProp+Na+H"	84.054008
"1001544"	510.197676	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+2ACN+2H"	84.067652
"1598235"	1021.296328	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+K+HCOOH"	84.968628
"1427541"	1051.327838	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+H+CF3COOH"	115.000138
"1157462"	530.710951	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+3ACN+2H"	125.094202
"1709934"	1068.354385	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+NH4+CF3COOH"	132.026685
"1649227"	1073.30978	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+Na+CF3COOH"	136.98208
"1573941"	1089.28372	"C05787"	"Bilirubin beta-diglucuronide;Bilirubin-bisglucuronoside"	"C45H52N4O18"	"936.3277"	"M+K+CF3COOH"	152.95602
"810868"	596.3574	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M"	0
"981121"	577.33901	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-H2O-H"	-19.01839
"64990"	396.564324	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M-3H"	-3.021828
"504549"	595.350124	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M-3H"	-3.021828
"888915"	197.778524	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-3H"	-3.021828
"9677"	595.350124	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M-2H"	-2.014552
"448144"	893.528824	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M-2H"	-2.014552
"824854"	297.171424	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-2H"	-2.014552
"83753"	1191.707524	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M-H"	-1.007276
"530603"	1788.064924	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M-H"	-1.007276
"902208"	595.350124	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-H"	-1.007276
"57678"	1208.734071	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M-2H+NH4"	16.019271
"498331"	1805.091471	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M-2H+NH4"	16.019271
"875769"	612.376671	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-2H+NH4"	16.019271
"37473"	1213.689466	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M-2H+Na"	20.974666
"474846"	1810.046866	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M-2H+Na"	20.974666
"852645"	617.332066	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-2H+Na"	20.974666
"1619993"	617.332066	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Na-2H"	20.974666
"94303"	613.338463	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M-H+Cl"	33.962126
"544467"	911.517163	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M-H+Cl"	33.962126
"930691"	315.159763	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-H+Cl"	33.962126
"280064"	1227.684202	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+Cl"	34.969402
"669325"	1824.041602	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+Cl"	34.969402
"1279540"	631.326802	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Cl"	34.969402
"22098"	1229.663406	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M-2H+K"	36.948606
"462753"	1826.020806	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M-2H+K"	36.948606
"843835"	633.306006	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-2H+K"	36.948606
"1556756"	633.306006	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+K-2H"	36.948606
"944270"	641.355594	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-H+HCOOH"	44.998194
"362360"	1237.713001	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+HCOOH-H"	44.998201
"346736"	1251.728651	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+Hac-H"	59.013851
"1495205"	655.371251	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Hac-H"	59.013851
"961286"	663.337551	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-H+NaCOOH"	66.980151
"112016"	631.326802	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+2Cl"	69.938804
"552305"	929.505502	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+2Cl"	69.938804
"1032044"	333.148102	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2Cl"	69.938804
"1251626"	675.276285	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Br"	78.918885
"1309701"	677.332272	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Cl+HCOOH"	80.974872
"1327202"	699.314229	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Cl+NaCOOH"	102.956829
"918259"	709.342986	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M-H+CF3COOH"	112.985586
"1293873"	745.319664	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Cl+CF3COOH"	148.962264
"1370942"	561.344724	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H-2H2O"	-35.012676
"1389532"	579.3547	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H-H2O"	-17.0027
"290312"	1193.722076	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+H"	1.007276
"683826"	1790.079476	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+H"	1.007276
"1352520"	597.364676	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H"	1.007276
"129782"	597.364676	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+2H"	2.014552
"574810"	895.543376	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+2H"	2.014552
"1045799"	299.185976	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2H"	2.014552
"209326"	398.578876	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+3H"	3.021828
"647430"	597.364676	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+3H"	3.021828
"1164822"	199.793076	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+3H"	3.021828
"428096"	1210.748623	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+NH4"	18.033823
"786656"	1807.106023	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+NH4"	18.033823
"1684327"	614.391223	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+NH4"	18.033823
"334794"	605.8779495	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+H+NH4"	19.041099
"724783"	904.0566495	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+H+NH4"	19.041099
"1479944"	307.6992495	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H+NH4"	19.041099
"394249"	1215.704018	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+Na"	22.989218
"756336"	1812.061418	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+Na"	22.989218
"1603826"	619.346618	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Na"	22.989218
"316296"	608.355647	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+H+Na"	23.996494
"709812"	906.534347	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+H+Na"	23.996494
"1465099"	310.176947	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H+Na"	23.996494
"1057246"	207.12039	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2H+Na"	25.00377
"1267682"	629.390886	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+CH3OH+H"	33.033486
"391360"	1231.677958	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+K"	38.963158
"750532"	1828.035358	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+K"	38.963158
"1547121"	635.320558	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+K"	38.963158
"300286"	616.342617	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+H+K"	39.970434
"695621"	914.521317	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+H+K"	39.970434
"1448347"	318.163917	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H+K"	39.970434
"235932"	1234.748626	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+ACN+H"	42.033826
"1210009"	638.391226	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+ACN+H"	42.033826
"1194997"	319.699251	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+ACN+2H"	43.041102
"191878"	1237.68596	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+2Na-H"	44.97116
"630221"	1834.04336	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+2Na-H"	44.97116
"1139319"	641.32856	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2Na-H"	44.97116
"185413"	619.346618	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+2Na"	45.978436
"622177"	917.525318	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+2Na"	45.978436
"1127507"	321.167918	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2Na"	45.978436
"1405929"	214.447704	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H+2Na"	46.985712
"1434037"	643.370146	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H+HCOOH"	47.012746
"225550"	624.37964	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+3H2O+2H"	56.04448
"1515804"	657.42219	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+IsoProp+H"	61.06479
"422060"	627.333588	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+Na+K"	61.952376
"779770"	925.512288	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+Na+K"	61.952376
"1676101"	329.154888	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Na+K"	61.952376
"264809"	1256.730568	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+ACN+Na"	64.015768
"1234601"	660.373168	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+ACN+Na"	64.015768
"1725681"	660.396693	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+NH4+HCOOH"	64.039293
"1189942"	221.775018	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+3Na"	68.967654
"1661295"	665.352088	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Na+HCOOH"	68.994688
"164143"	1269.63384	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+2K-H"	76.91904
"605890"	1865.99124	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+2K-H"	76.91904
"1087486"	673.27644	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2K-H"	76.91904
"148314"	635.320558	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"2M+2K"	77.926316
"586776"	933.499258	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"3M+2K"	77.926316
"1073480"	337.141858	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2K"	77.926316
"1107785"	675.290992	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2K+H"	78.933592
"1341983"	675.378607	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+DMSO+H"	79.021207
"1018168"	679.417776	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2ACN+H"	83.060376
"1535203"	680.411408	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+IsoProp+Na+H"	84.054008
"1002747"	340.212526	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+2ACN+2H"	84.067652
"1598345"	681.326028	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+K+HCOOH"	84.968628
"1426192"	711.357538	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+H+CF3COOH"	115.000138
"1158666"	360.725801	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+3ACN+2H"	125.094202
"1709315"	728.384085	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+NH4+CF3COOH"	132.026685
"1649540"	733.33948	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+Na+CF3COOH"	136.98208
"1577331"	749.31342	"C05789"	"L-Urobilinogen;L-Stercobilinogen;Stercobilinogen"	"C33H48N4O6"	"596.3574"	"M+K+CF3COOH"	152.95602
"810978"	592.3261	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M"	0
"981231"	573.30771	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-H2O-H"	-19.01839
"65464"	393.876790666667	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M-3H"	-3.021828
"505023"	591.318824	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M-3H"	-3.021828
"886837"	196.434757333333	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-3H"	-3.021828
"9786"	591.318824	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M-2H"	-2.014552
"446065"	887.481874	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M-2H"	-2.014552
"820586"	295.155774	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-2H"	-2.014552
"83863"	1183.644924	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M-H"	-1.007276
"525609"	1775.971024	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M-H"	-1.007276
"903411"	591.318824	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-H"	-1.007276
"56695"	1200.671471	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M-2H+NH4"	16.019271
"498441"	1792.997571	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M-2H+NH4"	16.019271
"876243"	608.345371	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-2H+NH4"	16.019271
"37583"	1205.626866	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M-2H+Na"	20.974666
"474956"	1797.952966	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M-2H+Na"	20.974666
"853848"	613.300766	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-2H+Na"	20.974666
"1621196"	613.300766	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Na-2H"	20.974666
"94677"	609.307163	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M-H+Cl"	33.962126
"544941"	905.470213	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M-H+Cl"	33.962126
"930800"	313.144113	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-H+Cl"	33.962126
"278108"	1219.621602	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+Cl"	34.969402
"671621"	1811.947702	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+Cl"	34.969402
"1279650"	627.295502	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Cl"	34.969402
"24394"	1221.600806	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M-2H+K"	36.948606
"460673"	1813.926906	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M-2H+K"	36.948606
"835559"	629.274706	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-2H+K"	36.948606
"1557223"	629.274706	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+K-2H"	36.948606
"943404"	637.324294	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-H+HCOOH"	44.998194
"362956"	1229.650401	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+HCOOH-H"	44.998201
"347198"	1243.666051	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+Hac-H"	59.013851
"1493197"	651.339951	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Hac-H"	59.013851
"959936"	659.306251	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-H+NaCOOH"	66.980151
"110300"	627.295502	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+2Cl"	69.938804
"550256"	923.458552	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+2Cl"	69.938804
"1028874"	331.132452	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2Cl"	69.938804
"1250642"	671.244985	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Br"	78.918885
"1311998"	673.300972	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Cl+HCOOH"	80.974872
"1327312"	695.282929	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Cl+NaCOOH"	102.956829
"917276"	705.311686	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M-H+CF3COOH"	112.985586
"1292890"	741.288364	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Cl+CF3COOH"	148.962264
"1368865"	557.313424	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H-2H2O"	-35.012676
"1389642"	575.3234	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H-H2O"	-17.0027
"290422"	1185.659476	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+H"	1.007276
"681749"	1777.985576	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+H"	1.007276
"1352630"	593.333376	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H"	1.007276
"126976"	593.333376	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+2H"	2.014552
"578201"	889.496426	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+2H"	2.014552
"1041534"	297.170326	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2H"	2.014552
"214903"	395.891342666667	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+3H"	3.021828
"647174"	593.333376	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+3H"	3.021828
"1163472"	198.449309333333	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+3H"	3.021828
"428206"	1202.686023	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+NH4"	18.033823
"788107"	1795.012123	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+NH4"	18.033823
"1683345"	610.359923	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+NH4"	18.033823
"334175"	601.8466495	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+H+NH4"	19.041099
"726231"	898.0096995	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+H+NH4"	19.041099
"1481875"	305.6835995	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H+NH4"	19.041099
"395817"	1207.641418	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+Na"	22.989218
"756811"	1799.967518	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+Na"	22.989218
"1605272"	615.315318	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Na"	22.989218
"316042"	604.324347	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+H+Na"	23.996494
"708830"	900.487397	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+H+Na"	23.996494
"1467396"	308.161297	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H+Na"	23.996494
"1058449"	205.776623333333	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2H+Na"	25.00377
"1268886"	625.359586	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+CH3OH+H"	33.033486
"390016"	1223.615358	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+K"	38.963158
"751735"	1815.941458	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+K"	38.963158
"1545043"	631.289258	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+K"	38.963158
"301124"	612.311317	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+H+K"	39.970434
"694636"	908.474367	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+H+K"	39.970434
"1447362"	316.148267	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H+K"	39.970434
"235835"	1226.686026	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+ACN+H"	42.033826
"1210201"	634.359926	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+ACN+H"	42.033826
"1194856"	317.683601	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+ACN+2H"	43.041102
"191984"	1229.62336	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+2Na-H"	44.97116
"630449"	1821.94946	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+2Na-H"	44.97116
"1132370"	637.29726	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2Na-H"	44.97116
"185280"	615.315318	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+2Na"	45.978436
"620830"	911.478368	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+2Na"	45.978436
"1120690"	319.152268	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2Na"	45.978436
"1402029"	213.103937333333	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H+2Na"	46.985712
"1434870"	639.338846	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H+HCOOH"	47.012746
"223108"	620.34834	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+3H2O+2H"	56.04448
"1515914"	653.39089	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+IsoProp+H"	61.06479
"421074"	623.302288	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+Na+K"	61.952376
"778786"	919.465338	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+Na+K"	61.952376
"1676210"	327.139238	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Na+K"	61.952376
"261639"	1248.667968	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+ACN+Na"	64.015768
"1234347"	656.341868	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+ACN+Na"	64.015768
"1725426"	656.365393	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+NH4+HCOOH"	64.039293
"1190410"	220.431251333333	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+3Na"	68.967654
"1660675"	661.320788	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Na+HCOOH"	68.994688
"163159"	1261.57124	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+2K-H"	76.91904
"601625"	1853.89734	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+2K-H"	76.91904
"1088689"	669.24514	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2K-H"	76.91904
"149517"	631.289258	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"2M+2K"	77.926316
"584700"	927.452308	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"3M+2K"	77.926316
"1073590"	335.126208	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2K"	77.926316
"1108988"	671.259692	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2K+H"	78.933592
"1342093"	671.347307	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+DMSO+H"	79.021207
"1014997"	675.386476	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2ACN+H"	83.060376
"1534220"	676.380108	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+IsoProp+Na+H"	84.054008
"1003829"	338.196876	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+2ACN+2H"	84.067652
"1599548"	677.294728	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+K+HCOOH"	84.968628
"1427395"	707.326238	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+H+CF3COOH"	115.000138
"1156589"	358.710151	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+3ACN+2H"	125.094202
"1709425"	724.352785	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+NH4+CF3COOH"	132.026685
"1649082"	729.30818	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+Na+CF3COOH"	136.98208
"1577441"	745.28212	"C05790"	"I-Urobilinogen;Mesobilirubinogen;Urobilinogen"	"C33H44N4O6"	"592.3261"	"M+K+CF3COOH"	152.95602
"814368"	590.3104	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M"	0
"984621"	571.29201	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-H2O-H"	-19.01839
"65210"	392.532990666667	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M-3H"	-3.021828
"506955"	589.303124	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M-3H"	-3.021828
"885854"	195.762857333333	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-3H"	-3.021828
"9896"	589.303124	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M-2H"	-2.014552
"448361"	884.458324	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M-2H"	-2.014552
"821790"	294.147924	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-2H"	-2.014552
"85064"	1179.613524	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M-H"	-1.007276
"526810"	1769.923924	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M-H"	-1.007276
"905708"	589.303124	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-H"	-1.007276
"56805"	1196.640071	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M-2H+NH4"	16.019271
"498552"	1786.950471	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M-2H+NH4"	16.019271
"876354"	606.329671	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-2H+NH4"	16.019271
"37693"	1201.595466	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M-2H+Na"	20.974666
"475066"	1791.905866	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M-2H+Na"	20.974666
"850678"	611.285066	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-2H+Na"	20.974666
"1622399"	611.285066	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Na-2H"	20.974666
"95765"	607.291463	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M-H+Cl"	33.962126
"545051"	902.446663	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M-H+Cl"	33.962126
"930910"	312.136263	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-H+Cl"	33.962126
"277123"	1215.590202	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+Cl"	34.969402
"666263"	1805.900602	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+Cl"	34.969402
"1274163"	625.279802	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Cl"	34.969402
"22317"	1217.569406	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M-2H+K"	36.948606
"458595"	1807.879806	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M-2H+K"	36.948606
"836761"	627.259006	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-2H+K"	36.948606
"1558062"	627.259006	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+K-2H"	36.948606
"944244"	635.308594	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-H+HCOOH"	44.998194
"363425"	1225.619001	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+HCOOH-H"	44.998201
"347065"	1239.634651	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+Hac-H"	59.013851
"1494691"	649.324251	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Hac-H"	59.013851
"960777"	657.290551	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-H+NaCOOH"	66.980151
"111011"	625.279802	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+2Cl"	69.938804
"551543"	920.435002	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+2Cl"	69.938804
"1022168"	330.124602	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2Cl"	69.938804
"1255856"	669.229285	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Br"	78.918885
"1315388"	671.285272	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Cl+HCOOH"	80.974872
"1328515"	693.267229	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Cl+NaCOOH"	102.956829
"918479"	703.295986	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M-H+CF3COOH"	112.985586
"1293000"	739.272664	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Cl+CF3COOH"	148.962264
"1370068"	555.297724	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H-2H2O"	-35.012676
"1390845"	573.3077	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H-H2O"	-17.0027
"288345"	1181.628076	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+H"	1.007276
"681859"	1771.938476	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+H"	1.007276
"1354926"	591.317676	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H"	1.007276
"127086"	591.317676	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+2H"	2.014552
"577218"	886.472876	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+2H"	2.014552
"1041645"	296.162476	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2H"	2.014552
"210641"	394.547542666667	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+3H"	3.021828
"646555"	591.317676	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+3H"	3.021828
"1162977"	197.777409333333	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+3H"	3.021828
"426130"	1198.654623	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+NH4"	18.033823
"787245"	1788.965023	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+NH4"	18.033823
"1683820"	608.344223	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+NH4"	18.033823
"335015"	599.8309495	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+H+NH4"	19.041099
"726341"	894.9861495	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+H+NH4"	19.041099
"1481621"	304.6757495	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H+NH4"	19.041099
"396656"	1203.610018	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+Na"	22.989218
"758377"	1793.920418	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+Na"	22.989218
"1606113"	613.299618	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Na"	22.989218
"316152"	602.308647	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+H+Na"	23.996494
"708333"	897.463847	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+H+Na"	23.996494
"1466413"	307.153447	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H+Na"	23.996494
"1058560"	205.104723333333	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2H+Na"	25.00377
"1268996"	623.343886	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+CH3OH+H"	33.033486
"391582"	1219.583958	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+K"	38.963158
"751845"	1809.894358	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+K"	38.963158
"1546246"	629.273558	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+K"	38.963158
"302326"	610.295617	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+H+K"	39.970434
"694746"	905.450817	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+H+K"	39.970434
"1447472"	315.140417	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H+K"	39.970434
"237163"	1222.654626	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+ACN+H"	42.033826
"1211327"	632.344226	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+ACN+H"	42.033826
"1195574"	316.675751	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+ACN+2H"	43.041102
"190997"	1225.59196	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+2Na-H"	44.97116
"630919"	1815.90236	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+2Na-H"	44.97116
"1132236"	635.28156	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2Na-H"	44.97116
"181737"	613.299618	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+2Na"	45.978436
"623488"	908.454818	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+2Na"	45.978436
"1122622"	318.144418	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2Na"	45.978436
"1405050"	212.432037333333	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H+2Na"	46.985712
"1434982"	637.323146	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H+HCOOH"	47.012746
"224677"	618.33264	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+3H2O+2H"	56.04448
"1510550"	651.37519	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+IsoProp+H"	61.06479
"416803"	621.286588	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+Na+K"	61.952376
"782177"	916.441788	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+Na+K"	61.952376
"1675227"	326.131388	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Na+K"	61.952376
"263934"	1244.636568	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+ACN+Na"	64.015768
"1238102"	654.326168	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+ACN+Na"	64.015768
"1724806"	654.349693	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+NH4+HCOOH"	64.039293
"1190523"	219.759351333333	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+3Na"	68.967654
"1658597"	659.305088	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Na+HCOOH"	68.994688
"164360"	1257.53984	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+2K-H"	76.91904
"603191"	1847.85024	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+2K-H"	76.91904
"1088435"	667.22944	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2K-H"	76.91904
"148536"	629.273558	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"2M+2K"	77.926316
"585904"	924.428758	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"3M+2K"	77.926316
"1073700"	334.118358	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2K"	77.926316
"1105816"	669.243992	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2K+H"	78.933592
"1342203"	669.331607	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+DMSO+H"	79.021207
"1015107"	673.370776	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2ACN+H"	83.060376
"1536517"	674.364408	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+IsoProp+Na+H"	84.054008
"1004060"	337.189026	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+2ACN+2H"	84.067652
"1599659"	675.279028	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+K+HCOOH"	84.968628
"1426412"	705.310538	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+H+CF3COOH"	115.000138
"1156699"	357.702301	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+3ACN+2H"	125.094202
"1709534"	722.337085	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+NH4+CF3COOH"	132.026685
"1648462"	727.29248	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+Na+CF3COOH"	136.98208
"1577551"	743.26642	"C05791"	"D-Urobilinogen"	"C33H42N4O6"	"590.3104"	"M+K+CF3COOH"	152.95602
"814478"	594.3417	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M"	0
"984731"	575.32331	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-H2O-H"	-19.01839
"66413"	395.220524	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M-3H"	-3.021828
"505972"	593.334424	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M-3H"	-3.021828
"887057"	197.106624	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-3H"	-3.021828
"10006"	593.334424	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M-2H"	-2.014552
"445192"	890.505274	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M-2H"	-2.014552
"822994"	296.163574	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-2H"	-2.014552
"86268"	1187.676124	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M-H"	-1.007276
"525827"	1782.017824	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M-H"	-1.007276
"905818"	593.334424	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-H"	-1.007276
"58007"	1204.702671	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M-2H+NH4"	16.019271
"498661"	1799.044371	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M-2H+NH4"	16.019271
"873184"	610.360971	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-2H+NH4"	16.019271
"37803"	1209.658066	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M-2H+Na"	20.974666
"475176"	1803.999766	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M-2H+Na"	20.974666
"849693"	615.316366	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-2H+Na"	20.974666
"1621416"	615.316366	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Na-2H"	20.974666
"95510"	611.322763	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M-H+Cl"	33.962126
"544068"	908.493613	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M-H+Cl"	33.962126
"928590"	314.151913	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-H+Cl"	33.962126
"277233"	1223.652802	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+Cl"	34.969402
"665280"	1817.994502	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+Cl"	34.969402
"1273302"	629.311102	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Cl"	34.969402
"20240"	1225.632006	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M-2H+K"	36.948606
"458705"	1819.973706	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M-2H+K"	36.948606
"836507"	631.290306	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-2H+K"	36.948606
"1558176"	631.290306	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+K-2H"	36.948606
"944600"	639.339894	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-H+HCOOH"	44.998194
"362809"	1233.681601	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+HCOOH-H"	44.998201
"348885"	1247.697251	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+Hac-H"	59.013851
"1493705"	653.355551	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Hac-H"	59.013851
"960278"	661.321851	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-H+NaCOOH"	66.980151
"110393"	629.311102	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+2Cl"	69.938804
"550076"	926.481952	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+2Cl"	69.938804
"1022157"	332.140252	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2Cl"	69.938804
"1255237"	673.260585	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Br"	78.918885
"1317686"	675.316572	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Cl+HCOOH"	80.974872
"1327532"	697.298529	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Cl+NaCOOH"	102.956829
"918589"	707.327286	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M-H+CF3COOH"	112.985586
"1293110"	743.303964	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Cl+CF3COOH"	148.962264
"1369085"	559.329024	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H-2H2O"	-35.012676
"1386582"	577.339	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H-H2O"	-17.0027
"284081"	1189.690676	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+H"	1.007276
"679783"	1784.032376	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+H"	1.007276
"1353944"	595.348976	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H"	1.007276
"130112"	595.348976	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+2H"	2.014552
"575141"	892.519826	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+2H"	2.014552
"1040296"	298.178126	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2H"	2.014552
"210751"	397.235076	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+3H"	3.021828
"646300"	595.348976	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+3H"	3.021828
"1164425"	199.121176	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+3H"	3.021828
"426606"	1206.717223	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+NH4"	18.033823
"786262"	1801.058923	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+NH4"	18.033823
"1685024"	612.375523	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+NH4"	18.033823
"338406"	603.8622495	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+H+NH4"	19.041099
"727182"	901.0330995	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+H+NH4"	19.041099
"1481367"	306.6913995	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H+NH4"	19.041099
"398226"	1211.672618	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+Na"	22.989218
"761040"	1806.014318	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+Na"	22.989218
"1605493"	617.330918	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Na"	22.989218
"316990"	606.339947	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+H+Na"	23.996494
"710505"	903.510797	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+H+Na"	23.996494
"1463239"	309.169097	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H+Na"	23.996494
"1055755"	206.44849	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2H+Na"	25.00377
"1266920"	627.375186	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+CH3OH+H"	33.033486
"384402"	1227.646558	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+K"	38.963158
"750862"	1821.988258	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+K"	38.963158
"1545263"	633.304858	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+K"	38.963158
"300250"	614.326917	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+H+K"	39.970434
"693764"	911.497767	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+H+K"	39.970434
"1446366"	317.156067	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H+K"	39.970434
"236059"	1230.717226	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+ACN+H"	42.033826
"1211804"	636.375526	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+ACN+H"	42.033826
"1199331"	318.691401	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+ACN+2H"	43.041102
"190015"	1233.65456	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+2Na-H"	44.97116
"629575"	1827.99626	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+2Na-H"	44.97116
"1131535"	639.31286	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2Na-H"	44.97116
"178569"	617.330918	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+2Na"	45.978436
"621412"	914.501768	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+2Na"	45.978436
"1121639"	320.160068	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2Na"	45.978436
"1408441"	213.775804	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H+2Na"	46.985712
"1436184"	641.354446	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H+HCOOH"	47.012746
"226973"	622.36394	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+3H2O+2H"	56.04448
"1511755"	655.40649	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+IsoProp+H"	61.06479
"410716"	625.317888	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+Na+K"	61.952376
"770369"	922.488738	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+Na+K"	61.952376
"1665971"	328.147038	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Na+K"	61.952376
"252614"	1252.699168	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+ACN+Na"	64.015768
"1228365"	658.357468	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+ACN+Na"	64.015768
"1713116"	658.380993	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+NH4+HCOOH"	64.039293
"1190265"	221.103118	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+3Na"	68.967654
"1661251"	663.336388	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Na+HCOOH"	68.994688
"163376"	1265.60244	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+2K-H"	76.91904
"601844"	1859.94414	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+2K-H"	76.91904
"1088542"	671.26074	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2K-H"	76.91904
"146456"	633.304858	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"2M+2K"	77.926316
"587107"	930.475708	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"3M+2K"	77.926316
"1074899"	336.134008	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2K"	77.926316
"1103739"	673.275292	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2K+H"	78.933592
"1342313"	673.362907	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+DMSO+H"	79.021207
"1015217"	677.402076	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2ACN+H"	83.060376
"1536627"	678.395708	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+IsoProp+Na+H"	84.054008
"1004170"	339.204676	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+2ACN+2H"	84.067652
"1601713"	679.310328	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+K+HCOOH"	84.968628
"1428709"	709.341838	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+H+CF3COOH"	115.000138
"1156809"	359.717951	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+3ACN+2H"	125.094202
"1712317"	726.368385	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+NH4+CF3COOH"	132.026685
"1649301"	731.32378	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+Na+CF3COOH"	136.98208
"1577661"	747.29772	"C05793"	"L-Urobilin;L-Stercobilin;Stercobilin"	"C33H46N4O6"	"594.3417"	"M+K+CF3COOH"	152.95602
"811310"	590.3104	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M"	0
"984844"	571.29201	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-H2O-H"	-19.01839
"77828"	392.532990666667	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M-3H"	-3.021828
"518165"	589.303124	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M-3H"	-3.021828
"893735"	195.762857333333	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-3H"	-3.021828
"15476"	589.303124	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M-2H"	-2.014552
"455484"	884.458324	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M-2H"	-2.014552
"828578"	294.147924	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-2H"	-2.014552
"93674"	1179.613524	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M-H"	-1.007276
"527036"	1769.923924	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M-H"	-1.007276
"905931"	589.303124	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-H"	-1.007276
"61159"	1196.640071	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M-2H+NH4"	16.019271
"499868"	1786.950471	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M-2H+NH4"	16.019271
"870015"	606.329671	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-2H+NH4"	16.019271
"46706"	1201.595466	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M-2H+Na"	20.974666
"486959"	1791.905866	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M-2H+Na"	20.974666
"860748"	611.285066	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-2H+Na"	20.974666
"1624448"	611.285066	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Na-2H"	20.974666
"97331"	607.291463	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M-H+Cl"	33.962126
"536892"	902.446663	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M-H+Cl"	33.962126
"931135"	312.136263	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-H+Cl"	33.962126
"269690"	1215.590202	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+Cl"	34.969402
"661744"	1805.900602	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+Cl"	34.969402
"1275971"	625.279802	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Cl"	34.969402
"23632"	1217.569406	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M-2H+K"	36.948606
"463192"	1807.879806	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M-2H+K"	36.948606
"835530"	627.259006	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-2H+K"	36.948606
"1556223"	627.259006	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+K-2H"	36.948606
"944713"	635.308594	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-H+HCOOH"	44.998194
"364022"	1225.619001	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+HCOOH-H"	44.998201
"350096"	1239.634651	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+Hac-H"	59.013851
"1496738"	649.324251	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Hac-H"	59.013851
"960271"	657.290551	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-H+NaCOOH"	66.980151
"112092"	625.279802	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+2Cl"	69.938804
"560405"	920.435002	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+2Cl"	69.938804
"1027015"	330.124602	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2Cl"	69.938804
"1253164"	669.229285	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Br"	78.918885
"1319878"	671.285272	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Cl+HCOOH"	80.974872
"1329829"	693.267229	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Cl+NaCOOH"	102.956829
"925263"	703.295986	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M-H+CF3COOH"	112.985586
"1303065"	739.272664	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Cl+CF3COOH"	148.962264
"1375760"	555.297724	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H-2H2O"	-35.012676
"1391068"	573.3077	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H-H2O"	-17.0027
"289662"	1181.628076	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+H"	1.007276
"678800"	1771.938476	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+H"	1.007276
"1360618"	591.317676	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H"	1.007276
"135696"	591.317676	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+2H"	2.014552
"570882"	886.472876	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+2H"	2.014552
"1041501"	296.162476	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2H"	2.014552
"208677"	394.547542666667	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+3H"	3.021828
"650424"	591.317676	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+3H"	3.021828
"1169643"	197.777409333333	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+3H"	3.021828
"431820"	1198.654623	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+NH4"	18.033823
"790628"	1788.965023	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+NH4"	18.033823
"1688051"	608.344223	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+NH4"	18.033823
"333050"	599.8309495	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+H+NH4"	19.041099
"728755"	894.9861495	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+H+NH4"	19.041099
"1483668"	304.6757495	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H+NH4"	19.041099
"397973"	1203.610018	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+Na"	22.989218
"761153"	1793.920418	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+Na"	22.989218
"1607064"	613.299618	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Na"	22.989218
"322577"	602.308647	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+H+Na"	23.996494
"709532"	897.463847	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+H+Na"	23.996494
"1471009"	307.153447	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H+Na"	23.996494
"1064257"	205.104723333333	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2H+Na"	25.00377
"1268858"	623.343886	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+CH3OH+H"	33.033486
"390350"	1219.583958	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+K"	38.963158
"750613"	1809.894358	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+K"	38.963158
"1548654"	629.273558	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+K"	38.963158
"303642"	610.295617	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+H+K"	39.970434
"693146"	905.450817	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+H+K"	39.970434
"1449881"	315.140417	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H+K"	39.970434
"238844"	1222.654626	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+ACN+H"	42.033826
"1215559"	632.344226	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+ACN+H"	42.033826
"1199445"	316.675751	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+ACN+2H"	43.041102
"194503"	1225.59196	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+2Na-H"	44.97116
"632970"	1815.90236	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+2Na-H"	44.97116
"1139759"	635.28156	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2Na-H"	44.97116
"182694"	613.299618	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+2Na"	45.978436
"621161"	908.454818	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+2Na"	45.978436
"1131250"	318.144418	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2Na"	45.978436
"1404181"	212.432037333333	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H+2Na"	46.985712
"1435201"	637.323146	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H+HCOOH"	47.012746
"225992"	618.33264	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+3H2O+2H"	56.04448
"1512228"	651.37519	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+IsoProp+H"	61.06479
"423591"	621.286588	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+Na+K"	61.952376
"781304"	916.441788	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+Na+K"	61.952376
"1673261"	326.131388	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Na+K"	61.952376
"263061"	1244.636568	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+ACN+Na"	64.015768
"1234675"	654.326168	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+ACN+Na"	64.015768
"1726477"	654.349693	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+NH4+HCOOH"	64.039293
"1192194"	219.759351333333	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+3Na"	68.967654
"1662818"	659.305088	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Na+HCOOH"	68.994688
"165675"	1257.53984	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+2K-H"	76.91904
"600010"	1847.85024	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+2K-H"	76.91904
"1087560"	667.22944	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2K-H"	76.91904
"146563"	629.273558	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"2M+2K"	77.926316
"586125"	924.428758	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"3M+2K"	77.926316
"1073916"	334.118358	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2K"	77.926316
"1104942"	669.243992	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2K+H"	78.933592
"1342423"	669.331607	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+DMSO+H"	79.021207
"1015327"	673.370776	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2ACN+H"	83.060376
"1539574"	674.364408	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+IsoProp+Na+H"	84.054008
"1004038"	337.189026	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+2ACN+2H"	84.067652
"1599878"	675.279028	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+K+HCOOH"	84.968628
"1428819"	705.310538	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+H+CF3COOH"	115.000138
"1156919"	357.702301	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+3ACN+2H"	125.094202
"1712185"	722.337085	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+NH4+CF3COOH"	132.026685
"1648683"	727.29248	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+Na+CF3COOH"	136.98208
"1577771"	743.26642	"C05794"	"Urobilin;I-Urobilin"	"C33H42N4O6"	"590.3104"	"M+K+CF3COOH"	152.95602
"813605"	588.2948	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M"	0
"980578"	569.27641	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-H2O-H"	-19.01839
"63349"	391.189257333333	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M-3H"	-3.021828
"504006"	587.287524	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M-3H"	-3.021828
"882904"	195.090990666667	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-3H"	-3.021828
"6946"	587.287524	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M-2H"	-2.014552
"446506"	881.434924	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M-2H"	-2.014552
"829778"	293.140124	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-2H"	-2.014552
"86489"	1175.582324	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M-H"	-1.007276
"528239"	1763.877124	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M-H"	-1.007276
"906041"	587.287524	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-H"	-1.007276
"59323"	1192.608871	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M-2H+NH4"	16.019271
"497790"	1780.903671	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M-2H+NH4"	16.019271
"870125"	604.314071	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-2H+NH4"	16.019271
"45317"	1197.564266	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M-2H+Na"	20.974666
"484878"	1785.859066	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M-2H+Na"	20.974666
"857579"	609.269466	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-2H+Na"	20.974666
"1627110"	609.269466	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Na-2H"	20.974666
"100357"	605.275863	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M-H+Cl"	33.962126
"539189"	899.423263	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M-H+Cl"	33.962126
"929424"	311.128463	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-H+Cl"	33.962126
"269071"	1211.559002	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+Cl"	34.969402
"661855"	1799.853802	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+Cl"	34.969402
"1274987"	623.264202	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Cl"	34.969402
"19369"	1213.538206	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M-2H+K"	36.948606
"457839"	1801.833006	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M-2H+K"	36.948606
"834181"	625.243406	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-2H+K"	36.948606
"1559127"	625.243406	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+K-2H"	36.948606
"945919"	633.292994	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-H+HCOOH"	44.998194
"361942"	1221.587801	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+HCOOH-H"	44.998201
"350206"	1235.603451	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+Hac-H"	59.013851
"1494665"	647.308651	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Hac-H"	59.013851
"964393"	655.274951	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-H+NaCOOH"	66.980151
"111473"	623.264202	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+2Cl"	69.938804
"559422"	917.411602	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+2Cl"	69.938804
"1027125"	329.116802	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2Cl"	69.938804
"1253274"	667.213685	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Br"	78.918885
"1313534"	669.269672	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Cl+HCOOH"	80.974872
"1324471"	691.251629	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Cl+NaCOOH"	102.956829
"918811"	701.280386	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M-H+CF3COOH"	112.985586
"1296612"	737.257064	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Cl+CF3COOH"	148.962264
"1380244"	553.282124	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H-2H2O"	-35.012676
"1391177"	571.2921	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H-H2O"	-17.0027
"288676"	1177.596876	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+H"	1.007276
"680005"	1765.891676	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+H"	1.007276
"1356354"	589.302076	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H"	1.007276
"131432"	589.302076	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+2H"	2.014552
"569896"	883.449476	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+2H"	2.014552
"1038452"	295.154676	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2H"	2.014552
"208786"	393.203809333333	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+3H"	3.021828
"647253"	589.302076	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+3H"	3.021828
"1167562"	197.105542666667	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+3H"	3.021828
"429743"	1194.623423	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+NH4"	18.033823
"788550"	1782.918223	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+NH4"	18.033823
"1683422"	606.328623	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+NH4"	18.033823
"330972"	597.8153495	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+H+NH4"	19.041099
"727771"	891.9627495	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+H+NH4"	19.041099
"1481591"	303.6679495	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H+NH4"	19.041099
"396990"	1199.578818	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+Na"	22.989218
"755797"	1787.873618	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+Na"	22.989218
"1604986"	611.284018	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Na"	22.989218
"322687"	600.293047	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+H+Na"	23.996494
"710734"	894.440447	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+H+Na"	23.996494
"1470026"	306.145647	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H+Na"	23.996494
"1063274"	204.432856666667	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2H+Na"	25.00377
"1265687"	621.328286	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+CH3OH+H"	33.033486
"387908"	1215.552758	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+K"	38.963158
"748537"	1803.847558	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+K"	38.963158
"1548766"	627.257958	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+K"	38.963158
"305939"	608.280017	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+H+K"	39.970434
"693621"	902.427417	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+H+K"	39.970434
"1448898"	314.132617	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H+K"	39.970434
"239683"	1218.623426	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+ACN+H"	42.033826
"1214576"	630.328626	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+ACN+H"	42.033826
"1197368"	315.667951	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+ACN+2H"	43.041102
"192427"	1221.56076	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+2Na-H"	44.97116
"633080"	1809.85556	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+2Na-H"	44.97116
"1136590"	633.26596	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2Na-H"	44.97116
"186086"	611.284018	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+2Na"	45.978436
"620542"	905.431418	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+2Na"	45.978436
"1129881"	317.136618	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2Na"	45.978436
"1405386"	211.760170666667	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H+2Na"	46.985712
"1434218"	635.307546	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H+HCOOH"	47.012746
"223914"	616.31704	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+3H2O+2H"	56.04448
"1511974"	649.35959	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+IsoProp+H"	61.06479
"422607"	619.270988	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+Na+K"	61.952376
"782507"	913.418388	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+Na+K"	61.952376
"1674464"	325.123588	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Na+K"	61.952376
"259890"	1240.605368	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+ACN+Na"	64.015768
"1231504"	652.310568	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+ACN+Na"	64.015768
"1723671"	652.334093	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+NH4+HCOOH"	64.039293
"1189025"	219.087484666667	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+3Na"	68.967654
"1661835"	657.289488	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Na+HCOOH"	68.994688
"165782"	1253.50864	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+2K-H"	76.91904
"599269"	1841.80344	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+2K-H"	76.91904
"1088763"	665.21384	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2K-H"	76.91904
"149952"	627.257958	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"2M+2K"	77.926316
"587328"	921.405358	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"3M+2K"	77.926316
"1074026"	333.110558	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2K"	77.926316
"1108331"	667.228392	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2K+H"	78.933592
"1339253"	667.316007	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+DMSO+H"	79.021207
"1013250"	671.355176	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2ACN+H"	83.060376
"1539156"	672.348808	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+IsoProp+Na+H"	84.054008
"1003297"	336.181226	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+2ACN+2H"	84.067652
"1601079"	673.263428	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+K+HCOOH"	84.968628
"1426743"	703.294938	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+H+CF3COOH"	115.000138
"1157027"	356.694501	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+3ACN+2H"	125.094202
"1712051"	720.321485	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+NH4+CF3COOH"	132.026685
"1646604"	725.27688	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+Na+CF3COOH"	136.98208
"1577881"	741.25082	"C05795"	"D-Urobilin"	"C33H40N4O6"	"588.2948"	"M+K+CF3COOH"	152.95602
"810436"	870.5659	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M"	0
"974856"	851.54751	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-H2O-H"	-19.01839
"64187"	579.369990666667	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M-3H"	-3.021828
"511773"	869.558624	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M-3H"	-3.021828
"884107"	289.181357333333	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-3H"	-3.021828
"4870"	869.558624	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M-2H"	-2.014552
"450994"	1304.841574	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M-2H"	-2.014552
"828795"	434.275674	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-2H"	-2.014552
"88787"	1740.124524	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M-H"	-1.007276
"525068"	2610.690424	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M-H"	-1.007276
"899223"	869.558624	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-H"	-1.007276
"51777"	1757.151071	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M-2H+NH4"	16.019271
"497898"	2627.716971	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M-2H+NH4"	16.019271
"870234"	886.585171	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-2H+NH4"	16.019271
"41416"	1762.106466	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M-2H+Na"	20.974666
"482068"	2632.672366	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M-2H+Na"	20.974666
"856593"	891.540566	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-2H+Na"	20.974666
"1629407"	891.540566	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Na-2H"	20.974666
"103750"	887.546963	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M-H+Cl"	33.962126
"538205"	1322.829913	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M-H+Cl"	33.962126
"929896"	452.264013	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-H+Cl"	33.962126
"270272"	1776.101202	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+Cl"	34.969402
"664883"	2646.667102	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+Cl"	34.969402
"1280202"	905.535302	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Cl"	34.969402
"20204"	1778.080406	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M-2H+K"	36.948606
"459763"	2648.646306	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M-2H+K"	36.948606
"837934"	907.514506	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-2H+K"	36.948606
"1558868"	907.514506	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+K-2H"	36.948606
"944934"	915.564094	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-H+HCOOH"	44.998194
"363873"	1786.130001	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+HCOOH-H"	44.998201
"346180"	1800.145651	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+Hac-H"	59.013851
"1494401"	929.579751	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Hac-H"	59.013851
"962315"	937.546051	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-H+NaCOOH"	66.980151
"112313"	905.535302	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+2Cl"	69.938804
"555158"	1340.818252	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+2Cl"	69.938804
"1029432"	470.252352	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2Cl"	69.938804
"1250104"	949.484785	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Br"	78.918885
"1313647"	951.540772	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Cl+HCOOH"	80.974872
"1323487"	973.522729	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Cl+NaCOOH"	102.956829
"918921"	983.551486	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M-H+CF3COOH"	112.985586
"1296722"	1019.528164	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Cl+CF3COOH"	148.962264
"1372699"	835.553224	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H-2H2O"	-35.012676
"1391287"	853.5632	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H-H2O"	-17.0027
"286599"	1742.139076	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+H"	1.007276
"676955"	2612.704976	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+H"	1.007276
"1351454"	871.573176	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H"	1.007276
"126800"	871.573176	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+2H"	2.014552
"567819"	1306.856126	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+2H"	2.014552
"1038442"	436.290226	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2H"	2.014552
"207434"	581.384542666667	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+3H"	3.021828
"651736"	871.573176	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+3H"	3.021828
"1167675"	291.195909333333	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+3H"	3.021828
"428759"	1759.165623	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+NH4"	18.033823
"789026"	2629.731523	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+NH4"	18.033823
"1683167"	888.599723	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+NH4"	18.033823
"332175"	880.0864495	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+H+NH4"	19.041099
"723624"	1315.3693995	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+H+NH4"	19.041099
"1480243"	444.8034995	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H+NH4"	19.041099
"395639"	1764.121018	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+Na"	22.989218
"756635"	2634.686918	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+Na"	22.989218
"1605105"	893.555118	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Na"	22.989218
"318422"	882.564147	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+H+Na"	23.996494
"709024"	1317.847097	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+H+Na"	23.996494
"1472693"	447.281197	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H+Na"	23.996494
"1063026"	298.523223333333	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2H+Na"	25.00377
"1267620"	903.599386	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+CH3OH+H"	33.033486
"388747"	1780.094958	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+K"	38.963158
"749011"	2650.660858	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+K"	38.963158
"1547782"	909.529058	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+K"	38.963158
"305320"	890.551117	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+H+K"	39.970434
"695189"	1325.834067	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+H+K"	39.970434
"1449008"	455.268167	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H+K"	39.970434
"236879"	1783.165626	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+ACN+H"	42.033826
"1215780"	912.599726	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+ACN+H"	42.033826
"1197478"	456.803501	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+ACN+2H"	43.041102
"193991"	1786.10296	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+2Na-H"	44.97116
"631735"	2656.66886	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+2Na-H"	44.97116
"1145459"	915.53706	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2Na-H"	44.97116
"182185"	893.555118	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+2Na"	45.978436
"621745"	1328.838068	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+2Na"	45.978436
"1120150"	458.272168	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2Na"	45.978436
"1403306"	305.850537333333	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H+2Na"	46.985712
"1434329"	917.578646	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H+HCOOH"	47.012746
"224025"	898.58814	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+3H2O+2H"	56.04448
"1519387"	931.63069	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+IsoProp+H"	61.06479
"418341"	901.542088	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+Na+K"	61.952376
"781160"	1336.825038	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+Na+K"	61.952376
"1674576"	466.259138	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Na+K"	61.952376
"259999"	1805.147568	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+ACN+Na"	64.015768
"1230519"	934.581668	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+ACN+Na"	64.015768
"1715031"	934.605193	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+NH4+HCOOH"	64.039293
"1180384"	313.177851333333	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+3Na"	68.967654
"1659397"	939.560588	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Na+HCOOH"	68.994688
"164071"	1818.05084	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+2K-H"	76.91904
"601081"	2688.61674	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+2K-H"	76.91904
"1092518"	947.48494	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2K-H"	76.91904
"149334"	909.529058	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"2M+2K"	77.926316
"587436"	1344.812008	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"3M+2K"	77.926316
"1073048"	474.246108	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2K"	77.926316
"1108445"	949.499492	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2K+H"	78.933592
"1339363"	949.587107	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+DMSO+H"	79.021207
"1018467"	953.626276	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2ACN+H"	83.060376
"1537930"	954.619908	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+IsoProp+Na+H"	84.054008
"1003406"	477.316776	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+2ACN+2H"	84.067652
"1600099"	955.534528	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+K+HCOOH"	84.968628
"1427944"	985.566038	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+H+CF3COOH"	115.000138
"1154950"	497.830051	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+3ACN+2H"	125.094202
"1711064"	1002.592585	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+NH4+CF3COOH"	132.026685
"1646715"	1007.54798	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+Na+CF3COOH"	136.98208
"1577991"	1023.52192	"C05797"	"Pheophytin a"	"C55H74N4O5"	"870.5659"	"M+K+CF3COOH"	152.95602
"811640"	888.5765	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M"	0
"975084"	869.55811	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-H2O-H"	-19.01839
"64298"	591.377057333333	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M-3H"	-3.021828
"511883"	887.569224	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M-3H"	-3.021828
"883124"	295.184890666667	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-3H"	-3.021828
"9354"	887.569224	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M-2H"	-2.014552
"451105"	1331.857474	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M-2H"	-2.014552
"829999"	443.280974	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-2H"	-2.014552
"84521"	1776.145724	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M-H"	-1.007276
"525178"	2664.722224	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M-H"	-1.007276
"900062"	887.569224	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-H"	-1.007276
"51887"	1793.172271	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M-2H+NH4"	16.019271
"495821"	2681.748771	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M-2H+NH4"	16.019271
"871437"	904.595771	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-2H+NH4"	16.019271
"41526"	1798.127666	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M-2H+Na"	20.974666
"483272"	2686.704166	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M-2H+Na"	20.974666
"854517"	909.551166	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-2H+Na"	20.974666
"1628424"	909.551166	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Na-2H"	20.974666
"103860"	905.557563	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M-H+Cl"	33.962126
"544511"	1349.845813	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M-H+Cl"	33.962126
"929275"	461.269313	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-H+Cl"	33.962126
"271115"	1812.122402	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+Cl"	34.969402
"667909"	2700.698902	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+Cl"	34.969402
"1278125"	923.545902	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Cl"	34.969402
"20679"	1814.101606	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M-2H+K"	36.948606
"459148"	2702.678106	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M-2H+K"	36.948606
"835858"	925.525106	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-2H+K"	36.948606
"1560441"	925.525106	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+K-2H"	36.948606
"946138"	933.574694	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-H+HCOOH"	44.998194
"362165"	1822.151201	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+HCOOH-H"	44.998201
"345926"	1836.166851	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+Hac-H"	59.013851
"1493543"	947.590351	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Hac-H"	59.013851
"962425"	955.556651	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-H+NaCOOH"	66.980151
"113518"	923.545902	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+2Cl"	69.938804
"555268"	1367.834152	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+2Cl"	69.938804
"1032823"	479.257652	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2Cl"	69.938804
"1252401"	967.495385	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Br"	78.918885
"1313757"	969.551372	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Cl+HCOOH"	80.974872
"1326877"	991.533329	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Cl+NaCOOH"	102.956829
"919031"	1001.562086	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M-H+CF3COOH"	112.985586
"1293552"	1037.538764	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Cl+CF3COOH"	148.962264
"1369771"	853.563824	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H-2H2O"	-35.012676
"1390303"	871.5738	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H-H2O"	-17.0027
"285615"	1778.160276	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+H"	1.007276
"678038"	2666.736776	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+H"	1.007276
"1353290"	889.583776	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H"	1.007276
"128002"	889.583776	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+2H"	2.014552
"568657"	1333.872026	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+2H"	2.014552
"1039643"	445.295526	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2H"	2.014552
"207544"	593.391609333333	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+3H"	3.021828
"648197"	889.583776	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+3H"	3.021828
"1168873"	297.199442666667	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+3H"	3.021828
"431055"	1795.186823	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+NH4"	18.033823
"790227"	2683.763323	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+NH4"	18.033823
"1690569"	906.610323	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+NH4"	18.033823
"335931"	898.0970495	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+H+NH4"	19.041099
"725799"	1342.3852995	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+H+NH4"	19.041099
"1481808"	453.8087995	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H+NH4"	19.041099
"395384"	1800.142218	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+Na"	22.989218
"757112"	2688.718718	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+Na"	22.989218
"1605215"	911.565718	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Na"	22.989218
"316467"	900.574747	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+H+Na"	23.996494
"708770"	1344.862997	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+H+Na"	23.996494
"1472075"	456.286497	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H+Na"	23.996494
"1063865"	304.526756666667	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2H+Na"	25.00377
"1269917"	921.609986	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+CH3OH+H"	33.033486
"390680"	1816.116158	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+K"	38.963158
"749121"	2704.692658	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+K"	38.963158
"1547892"	927.539658	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+K"	38.963158
"305430"	908.561717	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+H+K"	39.970434
"697486"	1352.849967	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+H+K"	39.970434
"1451306"	464.273467	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H+K"	39.970434
"239907"	1819.186826	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+ACN+H"	42.033826
"1214434"	930.610326	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+ACN+H"	42.033826
"1200504"	465.808801	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+ACN+2H"	43.041102
"194468"	1822.12416	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+2Na-H"	44.97116
"634030"	2710.70066	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+2Na-H"	44.97116
"1145569"	933.54766	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2Na-H"	44.97116
"184482"	911.565718	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+2Na"	45.978436
"624042"	1355.853968	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+2Na"	45.978436
"1121353"	467.277468	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2Na"	45.978436
"1405604"	311.854070666667	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H+2Na"	46.985712
"1437719"	935.589246	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H+HCOOH"	47.012746
"225226"	916.59874	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+3H2O+2H"	56.04448
"1511834"	949.64129	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+IsoProp+H"	61.06479
"412252"	919.552688	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+Na+K"	61.952376
"778354"	1363.840938	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+Na+K"	61.952376
"1671400"	475.264438	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Na+K"	61.952376
"261202"	1841.168768	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+ACN+Na"	64.015768
"1228442"	952.592268	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+ACN+Na"	64.015768
"1714775"	952.615793	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+NH4+HCOOH"	64.039293
"1182680"	319.181384666667	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+3Na"	68.967654
"1660601"	957.571188	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Na+HCOOH"	68.994688
"162723"	1854.07204	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+2K-H"	76.91904
"601191"	2742.64854	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+2K-H"	76.91904
"1092262"	965.49554	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2K-H"	76.91904
"147985"	927.539658	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"2M+2K"	77.926316
"586452"	1371.827908	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"3M+2K"	77.926316
"1072058"	483.251408	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2K"	77.926316
"1104180"	967.510092	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2K+H"	78.933592
"1340564"	967.597707	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+DMSO+H"	79.021207
"1020036"	971.636876	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2ACN+H"	83.060376
"1535975"	972.630508	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+IsoProp+Na+H"	84.054008
"1004610"	486.322076	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+2ACN+2H"	84.067652
"1600209"	973.545128	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+K+HCOOH"	84.968628
"1427690"	1003.576638	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+H+CF3COOH"	115.000138
"1155060"	506.835351	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+3ACN+2H"	125.094202
"1711903"	1020.603185	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+NH4+CF3COOH"	132.026685
"1649377"	1025.55858	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+Na+CF3COOH"	136.98208
"1578101"	1041.53252	"C05798"	"Bacteriopheophytin;Bacteriopheophytin a"	"C55H76N4O6"	"888.5765"	"M+K+CF3COOH"	152.95602
"805189"	502.4175	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M"	0
"975195"	483.39911	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-H2O-H"	-19.01839
"68059"	333.937724	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M-3H"	-3.021828
"511995"	501.410224	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M-3H"	-3.021828
"889795"	166.465224	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-3H"	-3.021828
"11650"	501.410224	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M-2H"	-2.014552
"451212"	752.618974	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M-2H"	-2.014552
"827923"	250.201474	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-2H"	-2.014552
"90100"	1003.827724	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M-H"	-1.007276
"527475"	1506.245224	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M-H"	-1.007276
"906371"	501.410224	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-H"	-1.007276
"53455"	1020.854271	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M-2H+NH4"	16.019271
"495202"	1523.271771	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M-2H+NH4"	16.019271
"872642"	518.436771	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-2H+NH4"	16.019271
"43825"	1025.809666	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M-2H+Na"	20.974666
"476459"	1528.227166	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M-2H+Na"	20.974666
"854628"	523.392166	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-2H+Na"	20.974666
"1624524"	523.392166	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Na-2H"	20.974666
"97408"	519.398563	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M-H+Cl"	33.962126
"536239"	770.607313	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M-H+Cl"	33.962126
"931572"	268.189813	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-H+Cl"	33.962126
"270859"	1039.804402	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+Cl"	34.969402
"665833"	1542.221902	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+Cl"	34.969402
"1277144"	537.386902	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Cl"	34.969402
"20792"	1041.783606	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M-2H+K"	36.948606
"460355"	1544.201106	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M-2H+K"	36.948606
"841436"	539.366106	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-2H+K"	36.948606
"1563831"	539.366106	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+K-2H"	36.948606
"948434"	547.415694	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-H+HCOOH"	44.998194
"364462"	1049.833201	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+HCOOH-H"	44.998201
"347254"	1063.848851	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+Hac-H"	59.013851
"1494994"	561.431351	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Hac-H"	59.013851
"960350"	569.397651	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-H+NaCOOH"	66.980151
"123109"	537.386902	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+2Cl"	69.938804
"559752"	788.595652	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+2Cl"	69.938804
"1029654"	286.178152	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2Cl"	69.938804
"1249231"	581.336385	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Br"	78.918885
"1309495"	583.392372	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Cl+HCOOH"	80.974872
"1328085"	605.374329	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Cl+NaCOOH"	102.956829
"915862"	615.403086	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M-H+CF3COOH"	112.985586
"1299131"	651.379764	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Cl+CF3COOH"	148.962264
"1369639"	467.404824	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H-2H2O"	-35.012676
"1387132"	485.4148	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H-H2O"	-17.0027
"285727"	1005.842276	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+H"	1.007276
"676205"	1508.259776	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+H"	1.007276
"1354500"	503.424776	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H"	1.007276
"127752"	503.424776	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+2H"	2.014552
"569497"	754.633526	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+2H"	2.014552
"1040849"	252.216026	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2H"	2.014552
"208747"	335.952276	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+3H"	3.021828
"648674"	503.424776	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+3H"	3.021828
"1167161"	168.479776	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+3H"	3.021828
"430435"	1022.868823	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+NH4"	18.033823
"791066"	1525.286323	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+NH4"	18.033823
"1685211"	520.451323	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+NH4"	18.033823
"333489"	511.9380495	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+H+NH4"	19.041099
"728098"	763.1467995	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+H+NH4"	19.041099
"1484831"	260.7292995	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H+NH4"	19.041099
"395133"	1027.824218	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+Na"	22.989218
"759407"	1530.241718	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+Na"	22.989218
"1611889"	525.406718	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Na"	22.989218
"327394"	514.415747	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+H+Na"	23.996494
"708880"	765.624497	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+H+Na"	23.996494
"1474007"	263.206997	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H+Na"	23.996494
"1067255"	175.80709	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2H+Na"	25.00377
"1269296"	535.450986	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+CH3OH+H"	33.033486
"391152"	1043.798158	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+K"	38.963158
"751418"	1546.215658	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+K"	38.963158
"1552376"	541.380658	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+K"	38.963158
"306271"	522.402717	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+H+K"	39.970434
"697596"	773.611467	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+H+K"	39.970434
"1448134"	271.193967	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H+K"	39.970434
"239284"	1046.868826	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+ACN+H"	42.033826
"1217458"	544.451326	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+ACN+H"	42.033826
"1204256"	272.729301	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+ACN+2H"	43.041102
"193854"	1049.80616	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+2Na-H"	44.97116
"636692"	1552.22366	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+2Na-H"	44.97116
"1146043"	547.38866	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2Na-H"	44.97116
"184594"	525.406718	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+2Na"	45.978436
"627558"	776.615468	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+2Na"	45.978436
"1123286"	274.197968	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2Na"	45.978436
"1404257"	183.134404	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H+2Na"	46.985712
"1439287"	549.430246	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H+HCOOH"	47.012746
"226435"	530.43974	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+3H2O+2H"	56.04448
"1516688"	563.48229	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+IsoProp+H"	61.06479
"417468"	533.393688	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+Na+K"	61.952376
"776276"	784.602438	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+Na+K"	61.952376
"1673338"	282.184938	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Na+K"	61.952376
"258033"	1068.850768	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+ACN+Na"	64.015768
"1232927"	566.433268	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+ACN+Na"	64.015768
"1718532"	566.456793	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+NH4+HCOOH"	64.039293
"1186074"	190.461718	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+3Na"	68.967654
"1659252"	571.412188	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Na+HCOOH"	68.994688
"160643"	1081.75404	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+2K-H"	76.91904
"600204"	1584.17154	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+2K-H"	76.91904
"1090186"	579.33654	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2K-H"	76.91904
"147002"	541.380658	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"2M+2K"	77.926316
"588750"	792.589408	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"3M+2K"	77.926316
"1074355"	290.171908	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2K"	77.926316
"1108666"	581.351092	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2K+H"	78.933592
"1341770"	581.438707	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+DMSO+H"	79.021207
"1015772"	585.477876	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2ACN+H"	83.060376
"1536087"	586.471508	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+IsoProp+Na+H"	84.054008
"1003628"	293.242576	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+2ACN+2H"	84.067652
"1602692"	587.386128	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+K+HCOOH"	84.968628
"1429259"	617.417638	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+H+CF3COOH"	115.000138
"1162657"	313.755851	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+3ACN+2H"	125.094202
"1712501"	634.444185	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+NH4+CF3COOH"	132.026685
"1649651"	639.39958	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+Na+CF3COOH"	136.98208
"1578211"	655.37352	"C05800"	"2-Hexaprenylphenol"	"C36H54O"	"502.4175"	"M+K+CF3COOH"	152.95602
"805299"	518.4124	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M"	0
"974224"	499.39401	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-H2O-H"	-19.01839
"68169"	344.600990666667	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M-3H"	-3.021828
"515385"	517.405124	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M-3H"	-3.021828
"887719"	171.796857333333	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-3H"	-3.021828
"9574"	517.405124	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M-2H"	-2.014552
"451322"	776.611324	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M-2H"	-2.014552
"828033"	258.198924	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-2H"	-2.014552
"88024"	1035.817524	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M-H"	-1.007276
"526492"	1554.229924	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M-H"	-1.007276
"906481"	517.405124	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-H"	-1.007276
"52108"	1052.844071	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M-2H+NH4"	16.019271
"494948"	1571.256471	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M-2H+NH4"	16.019271
"873845"	534.431671	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-2H+NH4"	16.019271
"42842"	1057.799466	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M-2H+Na"	20.974666
"476205"	1576.211866	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M-2H+Na"	20.974666
"854008"	539.387066	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-2H+Na"	20.974666
"1624270"	539.387066	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Na-2H"	20.974666
"97518"	535.393463	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M-H+Cl"	33.962126
"535985"	794.599663	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M-H+Cl"	33.962126
"930589"	276.187263	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-H+Cl"	33.962126
"270241"	1071.794202	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+Cl"	34.969402
"664849"	1590.206602	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+Cl"	34.969402
"1278347"	553.381802	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Cl"	34.969402
"23089"	1073.773406	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M-2H+K"	36.948606
"458278"	1592.185806	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M-2H+K"	36.948606
"836075"	555.361006	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-2H+K"	36.948606
"1558836"	555.361006	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+K-2H"	36.948606
"949637"	563.410594	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-H+HCOOH"	44.998194
"364572"	1081.823001	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+HCOOH-H"	44.998201
"346634"	1095.838651	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+Hac-H"	59.013851
"1495102"	577.426251	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Hac-H"	59.013851
"963737"	585.392551	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-H+NaCOOH"	66.980151
"122489"	553.381802	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+2Cl"	69.938804
"559862"	812.588002	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+2Cl"	69.938804
"1029764"	294.175602	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2Cl"	69.938804
"1253350"	597.331285	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Br"	78.918885
"1309605"	599.387272	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Cl+HCOOH"	80.974872
"1327102"	621.369229	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Cl+NaCOOH"	102.956829
"915972"	631.397986	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M-H+CF3COOH"	112.985586
"1298148"	667.374664	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Cl+CF3COOH"	148.962264
"1369749"	483.399724	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H-2H2O"	-35.012676
"1386150"	501.4097	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H-H2O"	-17.0027
"283651"	1037.832076	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+H"	1.007276
"676436"	1556.244476	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+H"	1.007276
"1354974"	519.419676	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H"	1.007276
"126769"	519.419676	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+2H"	2.014552
"568149"	778.625876	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+2H"	2.014552
"1040959"	260.213476	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2H"	2.014552
"209588"	346.615542666667	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+3H"	3.021828
"649148"	519.419676	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+3H"	3.021828
"1168365"	173.811409333333	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+3H"	3.021828
"431639"	1054.858623	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+NH4"	18.033823
"790080"	1573.271023	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+NH4"	18.033823
"1684955"	536.446223	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+NH4"	18.033823
"333234"	527.9329495	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+H+NH4"	19.041099
"728936"	787.1391495	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+H+NH4"	19.041099
"1484213"	268.7267495	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H+NH4"	19.041099
"397426"	1059.814018	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+Na"	22.989218
"758423"	1578.226418	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+Na"	22.989218
"1609813"	541.401618	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Na"	22.989218
"324225"	530.410647	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+H+Na"	23.996494
"708261"	789.616847	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+H+Na"	23.996494
"1473752"	271.204447	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H+Na"	23.996494
"1064814"	181.138723333333	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2H+Na"	25.00377
"1268677"	551.445886	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+CH3OH+H"	33.033486
"391626"	1075.787958	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+K"	38.963158
"746061"	1594.200358	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+K"	38.963158
"1550298"	557.375558	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+K"	38.963158
"305287"	538.397617	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+H+K"	39.970434
"694426"	797.603817	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+H+K"	39.970434
"1448608"	279.191417	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H+K"	39.970434
"238665"	1078.858626	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+ACN+H"	42.033826
"1217203"	560.446226	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+ACN+H"	42.033826
"1203273"	280.726751	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+ACN+2H"	43.041102
"193234"	1081.79596	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+2Na-H"	44.97116
"634615"	1600.20836	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+2Na-H"	44.97116
"1142508"	563.38356	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2Na-H"	44.97116
"184704"	541.401618	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+2Na"	45.978436
"627546"	800.607818	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+2Na"	45.978436
"1123396"	282.195418	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2Na"	45.978436
"1402546"	188.466037333333	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H+2Na"	46.985712
"1435754"	565.425146	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H+HCOOH"	47.012746
"225452"	546.43464	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+3H2O+2H"	56.04448
"1514612"	579.47719	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+IsoProp+H"	61.06479
"415392"	549.388588	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+Na+K"	61.952376
"773106"	808.594788	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+Na+K"	61.952376
"1673084"	290.182388	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Na+K"	61.952376
"257050"	1100.840568	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+ACN+Na"	64.015768
"1230851"	582.428168	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+ACN+Na"	64.015768
"1717549"	582.451693	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+NH4+HCOOH"	64.039293
"1183998"	195.793351333333	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+3Na"	68.967654
"1656079"	587.407088	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Na+HCOOH"	68.994688
"159659"	1113.74384	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+2K-H"	76.91904
"599221"	1632.15624	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+2K-H"	76.91904
"1090296"	595.33144	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2K-H"	76.91904
"144926"	557.375558	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"2M+2K"	77.926316
"588860"	816.581758	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"3M+2K"	77.926316
"1073372"	298.169358	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2K"	77.926316
"1108776"	597.345992	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2K+H"	78.933592
"1340787"	597.433607	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+DMSO+H"	79.021207
"1014789"	601.472776	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2ACN+H"	83.060376
"1534010"	602.466408	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+IsoProp+Na+H"	84.054008
"1003738"	301.240026	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+2ACN+2H"	84.067652
"1602455"	603.381028	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+K+HCOOH"	84.968628
"1427183"	633.412538	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+H+CF3COOH"	115.000138
"1161480"	321.753301	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+3ACN+2H"	125.094202
"1710300"	650.439085	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+NH4+CF3COOH"	132.026685
"1649800"	655.39448	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+Na+CF3COOH"	136.98208
"1578321"	671.36842	"C05801"	"2-Hexaprenyl-6-hydroxyphenol;3-Hexaprenylcatechol"	"C36H54O2"	"518.4124"	"M+K+CF3COOH"	152.95602
"814160"	532.428	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M"	0
"989517"	513.40961	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-H2O-H"	-19.01839
"77035"	353.944724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M-3H"	-3.021828
"517563"	531.420724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M-3H"	-3.021828
"892205"	176.468724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-3H"	-3.021828
"14065"	531.420724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M-2H"	-2.014552
"454593"	797.634724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M-2H"	-2.014552
"823767"	265.206724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-2H"	-2.014552
"81571"	1063.848724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M-H"	-1.007276
"525507"	1596.276724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M-H"	-1.007276
"900027"	531.420724	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-H"	-1.007276
"50026"	1080.875271	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M-2H+NH4"	16.019271
"488978"	1613.303271	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M-2H+NH4"	16.019271
"867390"	548.447271	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-2H+NH4"	16.019271
"33833"	1085.830666	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M-2H+Na"	20.974666
"476312"	1618.258666	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M-2H+Na"	20.974666
"851201"	553.402666	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-2H+Na"	20.974666
"1621463"	553.402666	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Na-2H"	20.974666
"95803"	549.409063	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M-H+Cl"	33.962126
"540465"	815.623063	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M-H+Cl"	33.962126
"933980"	283.195063	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-H+Cl"	33.962126
"271444"	1099.825402	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+Cl"	34.969402
"662770"	1632.253402	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+Cl"	34.969402
"1274073"	567.397402	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Cl"	34.969402
"24291"	1101.804606	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M-2H+K"	36.948606
"456032"	1634.232606	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M-2H+K"	36.948606
"836188"	569.376606	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-2H+K"	36.948606
"1562960"	569.376606	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+K-2H"	36.948606
"949748"	577.426194	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-H+HCOOH"	44.998194
"363594"	1109.854201	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+HCOOH-H"	44.998201
"346624"	1123.869851	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+Hac-H"	59.013851
"1497402"	591.441851	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Hac-H"	59.013851
"961665"	599.408151	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-H+NaCOOH"	66.980151
"120413"	567.397402	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+2Cl"	69.938804
"558882"	833.611402	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+2Cl"	69.938804
"1029875"	301.183402	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2Cl"	69.938804
"1249452"	611.346885	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Br"	78.918885
"1316285"	613.402872	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Cl+HCOOH"	80.974872
"1334144"	635.384829	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Cl+NaCOOH"	102.956829
"920459"	645.413586	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M-H+CF3COOH"	112.985586
"1299354"	681.390264	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Cl+CF3COOH"	148.962264
"1370225"	497.415324	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H-2H2O"	-35.012676
"1386263"	515.4253	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H-H2O"	-17.0027
"290325"	1065.863276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+H"	1.007276
"680560"	1598.291276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+H"	1.007276
"1353993"	533.435276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H"	1.007276
"126189"	533.435276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+2H"	2.014552
"569716"	799.649276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+2H"	2.014552
"1042525"	267.221276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2H"	2.014552
"208969"	355.959276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+3H"	3.021828
"647437"	533.435276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+3H"	3.021828
"1168112"	178.483276	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+3H"	3.021828
"426282"	1082.889823	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+NH4"	18.033823
"790558"	1615.317823	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+NH4"	18.033823
"1685431"	550.461823	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+NH4"	18.033823
"334802"	541.9485495	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+H+NH4"	19.041099
"727222"	808.1625495	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+H+NH4"	19.041099
"1478865"	275.7345495	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H+NH4"	19.041099
"393896"	1087.845218	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+Na"	22.989218
"762919"	1620.273218	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+Na"	22.989218
"1609927"	555.417218	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Na"	22.989218
"322148"	544.426247	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+H+Na"	23.996494
"718949"	810.640247	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+H+Na"	23.996494
"1476917"	278.212247	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H+Na"	23.996494
"1068086"	185.81059	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2H+Na"	25.00377
"1268788"	565.461486	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+CH3OH+H"	33.033486
"389550"	1103.819158	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+K"	38.963158
"753463"	1636.247158	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+K"	38.963158
"1551504"	571.391158	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+K"	38.963158
"309772"	552.413217	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+H+K"	39.970434
"701098"	818.627217	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+H+K"	39.970434
"1451636"	286.199217	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H+K"	39.970434
"238051"	1106.889826	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+ACN+H"	42.033826
"1217314"	574.461826	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+ACN+H"	42.033826
"1197924"	287.734551	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+ACN+2H"	43.041102
"194077"	1109.82716	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+2Na-H"	44.97116
"642033"	1642.25516	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+2Na-H"	44.97116
"1144445"	577.39916	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2Na-H"	44.97116
"185913"	555.417218	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+2Na"	45.978436
"622188"	821.631218	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+2Na"	45.978436
"1119861"	289.203218	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2Na"	45.978436
"1405934"	193.137904	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H+2Na"	46.985712
"1438050"	579.440746	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H+HCOOH"	47.012746
"231037"	560.45024	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+3H2O+2H"	56.04448
"1516913"	593.49279	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+IsoProp+H"	61.06479
"415505"	563.404188	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+Na+K"	61.952376
"773220"	829.618188	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+Na+K"	61.952376
"1671737"	297.190188	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Na+K"	61.952376
"253517"	1128.871768	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+ACN+Na"	64.015768
"1233147"	596.443768	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+ACN+Na"	64.015768
"1719850"	596.467293	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+NH4+HCOOH"	64.039293
"1184111"	200.465218	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+3Na"	68.967654
"1654004"	601.422688	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Na+HCOOH"	68.994688
"160867"	1141.77504	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+2K-H"	76.91904
"599332"	1674.20304	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+2K-H"	76.91904
"1086032"	609.34704	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2K-H"	76.91904
"144313"	571.391158	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"2M+2K"	77.926316
"584599"	837.605158	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"3M+2K"	77.926316
"1080057"	305.177158	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2K"	77.926316
"1111078"	611.361592	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2K+H"	78.933592
"1351084"	611.449207	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+DMSO+H"	79.021207
"1020128"	615.488376	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2ACN+H"	83.060376
"1536308"	616.482008	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+IsoProp+Na+H"	84.054008
"1004830"	308.247826	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+2ACN+2H"	84.067652
"1601516"	617.396628	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+K+HCOOH"	84.968628
"1429484"	647.428138	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+H+CF3COOH"	115.000138
"1160495"	328.761101	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+3ACN+2H"	125.094202
"1709322"	664.454685	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+NH4+CF3COOH"	132.026685
"1643876"	669.41008	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+Na+CF3COOH"	136.98208
"1584994"	685.38402	"C05802"	"2-Hexaprenyl-6-methoxyphenol"	"C37H56O2"	"532.428"	"M+K+CF3COOH"	152.95602
"805519"	546.4073	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M"	0
"975161"	527.38891	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-H2O-H"	-19.01839
"64008"	363.264257333333	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M-3H"	-3.021828
"504294"	545.400024	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M-3H"	-3.021828
"894380"	181.128490666667	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-3H"	-3.021828
"13810"	545.400024	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M-2H"	-2.014552
"450451"	818.603674	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M-2H"	-2.014552
"823877"	272.196374	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-2H"	-2.014552
"82044"	1091.807324	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M-H"	-1.007276
"523430"	1638.214624	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M-H"	-1.007276
"897583"	545.400024	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-H"	-1.007276
"48678"	1108.833871	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M-2H+NH4"	16.019271
"490059"	1655.241171	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M-2H+NH4"	16.019271
"864948"	562.426571	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-2H+NH4"	16.019271
"33943"	1113.789266	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M-2H+Na"	20.974666
"476786"	1660.196566	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M-2H+Na"	20.974666
"851675"	567.381966	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-2H+Na"	20.974666
"1621573"	567.381966	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Na-2H"	20.974666
"97006"	563.388363	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M-H+Cl"	33.962126
"538389"	836.592013	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M-H+Cl"	33.962126
"931538"	290.184713	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-H+Cl"	33.962126
"271554"	1127.784002	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+Cl"	34.969402
"663244"	1674.191302	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+Cl"	34.969402
"1276006"	581.376702	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Cl"	34.969402
"22215"	1129.763206	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M-2H+K"	36.948606
"456667"	1676.170506	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M-2H+K"	36.948606
"835205"	583.355906	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-2H+K"	36.948606
"1561977"	583.355906	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+K-2H"	36.948606
"949858"	591.405494	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-H+HCOOH"	44.998194
"366984"	1137.812801	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+HCOOH-H"	44.998201
"346369"	1151.828451	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+Hac-H"	59.013851
"1496783"	605.421151	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Hac-H"	59.013851
"962867"	613.387451	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-H+NaCOOH"	66.980151
"120523"	581.376702	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+2Cl"	69.938804
"557898"	854.580352	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+2Cl"	69.938804
"1028892"	308.173052	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2Cl"	69.938804
"1249562"	625.326185	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Br"	78.918885
"1316393"	627.382172	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Cl+HCOOH"	80.974872
"1334979"	649.364129	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Cl+NaCOOH"	102.956829
"919475"	659.392886	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M-H+CF3COOH"	112.985586
"1298371"	695.369564	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Cl+CF3COOH"	148.962264
"1370699"	511.394624	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H-2H2O"	-35.012676
"1386373"	529.4046	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H-H2O"	-17.0027
"290435"	1093.821876	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+H"	1.007276
"678847"	1640.229176	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+H"	1.007276
"1353739"	547.414576	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H"	1.007276
"127473"	547.414576	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+2H"	2.014552
"570554"	820.618226	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+2H"	2.014552
"1041904"	274.210926	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2H"	2.014552
"210171"	365.278809333333	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+3H"	3.021828
"648640"	547.414576	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+3H"	3.021828
"1168222"	183.143042666667	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+3H"	3.021828
"430037"	1110.848423	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+NH4"	18.033823
"789574"	1657.255723	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+NH4"	18.033823
"1687363"	564.441123	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+NH4"	18.033823
"333455"	555.9278495	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+H+NH4"	19.041099
"728061"	829.1314995	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+H+NH4"	19.041099
"1478975"	282.7241995	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H+NH4"	19.041099
"393763"	1115.803818	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+Na"	22.989218
"758654"	1662.211118	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+Na"	22.989218
"1607848"	569.396518	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Na"	22.989218
"317883"	558.405547	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+H+Na"	23.996494
"710309"	831.609197	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+H+Na"	23.996494
"1477021"	285.201897	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H+Na"	23.996494
"1067225"	190.470356666667	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2H+Na"	25.00377
"1266712"	579.440786	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+CH3OH+H"	33.033486
"388205"	1131.777758	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+K"	38.963158
"749565"	1678.185058	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+K"	38.963158
"1551982"	585.370458	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+K"	38.963158
"306604"	566.392517	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+H+K"	39.970434
"701208"	839.596167	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+H+K"	39.970434
"1450653"	293.188867	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H+K"	39.970434
"238889"	1134.848426	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+ACN+H"	42.033826
"1214873"	588.441126	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+ACN+H"	42.033826
"1198034"	294.724201	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+ACN+2H"	43.041102
"194187"	1137.78576	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+2Na-H"	44.97116
"642386"	1684.19306	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+2Na-H"	44.97116
"1143824"	591.37846	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2Na-H"	44.97116
"183834"	569.396518	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+2Na"	45.978436
"622298"	842.600168	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+2Na"	45.978436
"1118514"	296.192868	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2Na"	45.978436
"1403860"	197.797670666667	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H+2Na"	46.985712
"1434515"	593.420046	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H+HCOOH"	47.012746
"231879"	574.42954	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+3H2O+2H"	56.04448
"1518847"	607.47209	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+IsoProp+H"	61.06479
"416710"	577.383488	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+Na+K"	61.952376
"775517"	850.587138	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+Na+K"	61.952376
"1674034"	304.179838	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Na+K"	61.952376
"255085"	1156.830368	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+ACN+Na"	64.015768
"1232164"	610.423068	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+ACN+Na"	64.015768
"1717770"	610.446593	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+NH4+HCOOH"	64.039293
"1184221"	205.124984666667	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+3Na"	68.967654
"1654475"	615.401988	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Na+HCOOH"	68.994688
"159151"	1169.73364	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+2K-H"	76.91904
"598710"	1716.14094	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+2K-H"	76.91904
"1086142"	623.32634	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2K-H"	76.91904
"144423"	585.370458	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"2M+2K"	77.926316
"584709"	858.574108	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"3M+2K"	77.926316
"1080167"	312.166808	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2K"	77.926316
"1113373"	625.340892	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2K+H"	78.933592
"1345389"	625.428507	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+DMSO+H"	79.021207
"1017198"	629.467676	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2ACN+H"	83.060376
"1535325"	630.461308	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+IsoProp+Na+H"	84.054008
"1005263"	315.237476	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+2ACN+2H"	84.067652
"1602113"	631.375928	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+K+HCOOH"	84.968628
"1429829"	661.407438	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+H+CF3COOH"	115.000138
"1160969"	335.750751	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+3ACN+2H"	125.094202
"1712510"	678.433985	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+NH4+CF3COOH"	132.026685
"1647266"	683.38938	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+Na+CF3COOH"	136.98208
"1585104"	699.36332	"C05803"	"2-Hexaprenyl-6-methoxy-14-benzoquinone"	"C37H54O3"	"546.4073"	"M+K+CF3COOH"	152.95602
"805629"	560.4229	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M"	0
"974432"	541.40451	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-H2O-H"	-19.01839
"63267"	372.607990666667	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M-3H"	-3.021828
"505862"	559.415624	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M-3H"	-3.021828
"893518"	185.800357333333	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-3H"	-3.021828
"15134"	559.415624	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M-2H"	-2.014552
"450561"	839.627074	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M-2H"	-2.014552
"822894"	279.204174	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-2H"	-2.014552
"81425"	1119.838524	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M-H"	-1.007276
"524633"	1680.261424	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M-H"	-1.007276
"897329"	559.415624	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-H"	-1.007276
"48422"	1136.865071	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M-2H+NH4"	16.019271
"488586"	1697.287971	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M-2H+NH4"	16.019271
"866516"	576.442171	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-2H+NH4"	16.019271
"34053"	1141.820466	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M-2H+Na"	20.974666
"474708"	1702.243366	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M-2H+Na"	20.974666
"851057"	581.397566	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-2H+Na"	20.974666
"1621683"	581.397566	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Na-2H"	20.974666
"98210"	577.403963	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M-H+Cl"	33.962126
"541778"	857.615413	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M-H+Cl"	33.962126
"929824"	297.192513	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-H+Cl"	33.962126
"271663"	1155.815202	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+Cl"	34.969402
"663354"	1716.238102	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+Cl"	34.969402
"1274902"	595.392302	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Cl"	34.969402
"23418"	1157.794406	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M-2H+K"	36.948606
"456656"	1718.217306	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M-2H+K"	36.948606
"834217"	597.371506	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-2H+K"	36.948606
"1558431"	597.371506	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+K-2H"	36.948606
"945220"	605.421094	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-H+HCOOH"	44.998194
"365997"	1165.844001	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+HCOOH-H"	44.998201
"346721"	1179.859651	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+Hac-H"	59.013851
"1495432"	619.436751	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Hac-H"	59.013851
"959812"	627.403051	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-H+NaCOOH"	66.980151
"110658"	595.392302	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+2Cl"	69.938804
"555821"	875.603752	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+2Cl"	69.938804
"1030095"	315.180852	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2Cl"	69.938804
"1244204"	639.341785	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Br"	78.918885
"1317596"	641.397772	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Cl+HCOOH"	80.974872
"1333632"	663.379729	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Cl+NaCOOH"	102.956829
"920678"	673.408486	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M-H+CF3COOH"	112.985586
"1293013"	709.385164	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Cl+CF3COOH"	148.962264
"1371174"	525.410224	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H-2H2O"	-35.012676
"1384296"	543.4202	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H-H2O"	-17.0027
"289452"	1121.853076	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+H"	1.007276
"678228"	1682.275976	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+H"	1.007276
"1354213"	561.430176	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H"	1.007276
"127464"	561.430176	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+2H"	2.014552
"567020"	841.641626	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+2H"	2.014552
"1040922"	281.218726	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2H"	2.014552
"210281"	374.622542666667	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+3H"	3.021828
"645834"	561.430176	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+3H"	3.021828
"1167239"	187.814909333333	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+3H"	3.021828
"429418"	1138.879623	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+NH4"	18.033823
"788956"	1699.302523	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+NH4"	18.033823
"1686381"	578.456723	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+NH4"	18.033823
"333930"	569.9434495	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+H+NH4"	19.041099
"728537"	850.1548995	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+H+NH4"	19.041099
"1478720"	289.7319995	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H+NH4"	19.041099
"393509"	1143.835018	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+Na"	22.989218
"759857"	1704.257918	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+Na"	22.989218
"1610144"	583.412118	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Na"	22.989218
"316900"	572.421147	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+H+Na"	23.996494
"713698"	852.632597	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+H+Na"	23.996494
"1473725"	292.209697	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H+Na"	23.996494
"1062958"	195.142223333333	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2H+Na"	25.00377
"1265727"	593.456386	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+CH3OH+H"	33.033486
"387585"	1159.808958	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+K"	38.963158
"750766"	1720.231858	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+K"	38.963158
"1550631"	599.386058	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+K"	38.963158
"307805"	580.408117	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+H+K"	39.970434
"694756"	860.619567	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+H+K"	39.970434
"1449669"	300.196667	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H+K"	39.970434
"239362"	1162.879626	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+ACN+H"	42.033826
"1215348"	602.456726	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+ACN+H"	42.033826
"1200330"	301.732001	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+ACN+2H"	43.041102
"195390"	1165.81696	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+2Na-H"	44.97116
"638241"	1726.23986	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+2Na-H"	44.97116
"1145033"	605.39406	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2Na-H"	44.97116
"186865"	583.412118	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+2Na"	45.978436
"622044"	863.623568	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+2Na"	45.978436
"1117653"	303.200668	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2Na"	45.978436
"1403970"	202.469537333333	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H+2Na"	46.985712
"1433532"	607.435646	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H+HCOOH"	47.012746
"231260"	588.44514	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+3H2O+2H"	56.04448
"1520412"	621.48769	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+IsoProp+H"	61.06479
"419735"	591.399088	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+Na+K"	61.952376
"776720"	871.610538	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+Na+K"	61.952376
"1668677"	311.187638	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Na+K"	61.952376
"256288"	1184.861568	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+ACN+Na"	64.015768
"1231181"	624.438668	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+ACN+Na"	64.015768
"1718973"	624.462193	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+NH4+HCOOH"	64.039293
"1185423"	209.796851333333	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+3Na"	68.967654
"1654219"	629.417588	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Na+HCOOH"	68.994688
"161082"	1197.76484	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+2K-H"	76.91904
"599547"	1758.18774	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+2K-H"	76.91904
"1086252"	637.34194	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2K-H"	76.91904
"144169"	599.386058	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"2M+2K"	77.926316
"583847"	879.597508	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"3M+2K"	77.926316
"1078085"	319.174608	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2K"	77.926316
"1111297"	639.356492	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2K+H"	78.933592
"1346592"	639.444107	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+DMSO+H"	79.021207
"1017308"	643.483276	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2ACN+H"	83.060376
"1536528"	644.476908	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+IsoProp+Na+H"	84.054008
"1004439"	322.245276	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+2ACN+2H"	84.067652
"1602222"	645.391528	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+K+HCOOH"	84.968628
"1429583"	675.423038	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+H+CF3COOH"	115.000138
"1160351"	342.758551	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+3ACN+2H"	125.094202
"1712458"	692.449585	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+NH4+CF3COOH"	132.026685
"1647012"	697.40498	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+Na+CF3COOH"	136.98208
"1585214"	713.37892	"C05804"	"2-Hexaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C38H56O3"	"560.4229"	"M+K+CF3COOH"	152.95602
"805739"	576.4179	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M"	0
"975018"	557.39951	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-H2O-H"	-19.01839
"65322"	383.271324	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M-3H"	-3.021828
"505975"	575.410624	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M-3H"	-3.021828
"892535"	191.132024	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-3H"	-3.021828
"5642"	575.410624	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M-2H"	-2.014552
"448483"	863.619574	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M-2H"	-2.014552
"820815"	287.201674	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-2H"	-2.014552
"79708"	1151.828524	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M-H"	-1.007276
"525836"	1728.246424	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M-H"	-1.007276
"896831"	575.410624	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-H"	-1.007276
"48163"	1168.855071	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M-2H+NH4"	16.019271
"488578"	1745.272971	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M-2H+NH4"	16.019271
"866626"	592.437171	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-2H+NH4"	16.019271
"34527"	1173.810466	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M-2H+Na"	20.974666
"475182"	1750.228366	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M-2H+Na"	20.974666
"854083"	597.392566	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-2H+Na"	20.974666
"1624709"	597.392566	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Na-2H"	20.974666
"99050"	593.398963	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M-H+Cl"	33.962126
"540795"	881.607913	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M-H+Cl"	33.962126
"930664"	305.190013	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-H+Cl"	33.962126
"272866"	1187.805202	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+Cl"	34.969402
"663464"	1764.223102	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+Cl"	34.969402
"1275496"	611.387302	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Cl"	34.969402
"23528"	1189.784406	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M-2H+K"	36.948606
"457979"	1766.202306	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M-2H+K"	36.948606
"833596"	613.366506	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-2H+K"	36.948606
"1557203"	613.366506	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+K-2H"	36.948606
"944967"	621.416094	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-H+HCOOH"	44.998194
"369387"	1197.834001	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+HCOOH-H"	44.998201
"347804"	1211.849651	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+Hac-H"	59.013851
"1497728"	635.431751	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Hac-H"	59.013851
"960043"	643.398051	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-H+NaCOOH"	66.980151
"111012"	611.387302	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+2Cl"	69.938804
"550820"	899.596252	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+2Cl"	69.938804
"1024000"	323.178352	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2Cl"	69.938804
"1247590"	655.336785	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Br"	78.918885
"1314411"	657.392772	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Cl+HCOOH"	80.974872
"1323164"	679.374729	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Cl+NaCOOH"	102.956829
"914222"	689.403486	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M-H+CF3COOH"	112.985586
"1297491"	725.380164	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Cl+CF3COOH"	148.962264
"1371280"	541.405224	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H-2H2O"	-35.012676
"1387680"	559.4152	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H-H2O"	-17.0027
"286274"	1153.843076	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+H"	1.007276
"679061"	1730.260976	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+H"	1.007276
"1351762"	577.425176	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H"	1.007276
"126839"	577.425176	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+2H"	2.014552
"567858"	865.634126	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+2H"	2.014552
"1041032"	289.216226	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2H"	2.014552
"205651"	385.285876	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+3H"	3.021828
"645940"	577.425176	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+3H"	3.021828
"1170993"	193.146576	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+3H"	3.021828
"433172"	1170.869623	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+NH4"	18.033823
"790885"	1747.287523	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+NH4"	18.033823
"1686124"	594.451723	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+NH4"	18.033823
"336226"	585.9384495	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+H+NH4"	19.041099
"730835"	874.1473995	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+H+NH4"	19.041099
"1479186"	297.7294995	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H+NH4"	19.041099
"394592"	1175.825018	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+Na"	22.989218
"755588"	1752.242918	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+Na"	22.989218
"1603807"	599.407118	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Na"	22.989218
"317010"	588.416147	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+H+Na"	23.996494
"709553"	876.625097	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+H+Na"	23.996494
"1469818"	300.207197	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H+Na"	23.996494
"1064159"	200.47389	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2H+Na"	25.00377
"1265837"	609.451386	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+CH3OH+H"	33.033486
"384413"	1191.798958	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+K"	38.963158
"745408"	1768.216858	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+K"	38.963158
"1546367"	615.381058	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+K"	38.963158
"302447"	596.403117	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+H+K"	39.970434
"693044"	884.612067	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+H+K"	39.970434
"1446615"	308.194167	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H+K"	39.970434
"237040"	1194.869626	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+ACN+H"	42.033826
"1210473"	618.451726	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+ACN+H"	42.033826
"1197157"	309.729501	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+ACN+2H"	43.041102
"192221"	1197.80696	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+2Na-H"	44.97116
"640538"	1774.22486	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+2Na-H"	44.97116
"1145264"	621.38906	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2Na-H"	44.97116
"185148"	599.407118	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+2Na"	45.978436
"619238"	887.616068	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+2Na"	45.978436
"1119464"	311.198168	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2Na"	45.978436
"1402985"	207.801204	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H+2Na"	46.985712
"1434370"	623.430646	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H+HCOOH"	47.012746
"232462"	604.44014	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+3H2O+2H"	56.04448
"1521251"	637.48269	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+IsoProp+H"	61.06479
"420210"	607.394088	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+Na+K"	61.952376
"780111"	895.603038	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+Na+K"	61.952376
"1673160"	319.185138	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Na+K"	61.952376
"257491"	1216.851568	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+ACN+Na"	64.015768
"1233479"	640.433668	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+ACN+Na"	64.015768
"1717990"	640.457193	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+NH4+HCOOH"	64.039293
"1185534"	215.128518	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+3Na"	68.967654
"1652145"	645.412588	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Na+HCOOH"	68.994688
"157427"	1229.75484	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+2K-H"	76.91904
"597629"	1806.17274	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+2K-H"	76.91904
"1088549"	653.33694	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2K-H"	76.91904
"142201"	615.381058	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"2M+2K"	77.926316
"583837"	903.590008	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"3M+2K"	77.926316
"1078195"	327.172108	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2K"	77.926316
"1113593"	655.351492	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2K+H"	78.933592
"1347795"	655.439107	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+DMSO+H"	79.021207
"1016324"	659.478276	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2ACN+H"	83.060376
"1537610"	660.471908	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+IsoProp+Na+H"	84.054008
"1005038"	330.242776	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+2ACN+2H"	84.067652
"1600877"	661.386528	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+K+HCOOH"	84.968628
"1429689"	691.418038	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+H+CF3COOH"	115.000138
"1161554"	350.756051	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+3ACN+2H"	125.094202
"1710744"	708.444585	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+NH4+CF3COOH"	132.026685
"1647122"	713.39998	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+Na+CF3COOH"	136.98208
"1585324"	729.37392	"C05805"	"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C38H56O4"	"576.4179"	"M+K+CF3COOH"	152.95602
"805851"	682.5325	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M"	0
"975128"	663.51411	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-H2O-H"	-19.01839
"72004"	454.014390666667	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M-3H"	-3.021828
"506098"	681.525224	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M-3H"	-3.021828
"889368"	226.503557333333	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-3H"	-3.021828
"7942"	681.525224	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M-2H"	-2.014552
"448595"	1022.791474	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M-2H"	-2.014552
"829680"	340.258974	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-2H"	-2.014552
"86389"	1364.057724	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M-H"	-1.007276
"524127"	2046.590224	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M-H"	-1.007276
"903752"	681.525224	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-H"	-1.007276
"55941"	1381.084271	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M-2H+NH4"	16.019271
"497689"	2063.616771	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M-2H+NH4"	16.019271
"874400"	698.551771	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-2H+NH4"	16.019271
"35011"	1386.039666	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M-2H+Na"	20.974666
"475053"	2068.572166	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M-2H+Na"	20.974666
"851273"	703.507166	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-2H+Na"	20.974666
"1622632"	703.507166	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Na-2H"	20.974666
"98068"	699.513563	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M-H+Cl"	33.962126
"537262"	1040.779813	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M-H+Cl"	33.962126
"930773"	358.247313	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-H+Cl"	33.962126
"272246"	1400.034402	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+Cl"	34.969402
"663577"	2082.566902	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+Cl"	34.969402
"1281083"	717.501902	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Cl"	34.969402
"21452"	1402.013606	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M-2H+K"	36.948606
"464293"	2084.546106	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M-2H+K"	36.948606
"836627"	719.481106	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-2H+K"	36.948606
"1557934"	719.481106	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+K-2H"	36.948606
"944233"	727.530694	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-H+HCOOH"	44.998194
"365123"	1410.063201	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+HCOOH-H"	44.998201
"347306"	1424.078851	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+Hac-H"	59.013851
"1494924"	741.546351	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Hac-H"	59.013851
"959669"	749.512651	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-H+NaCOOH"	66.980151
"112836"	717.501902	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+2Cl"	69.938804
"553122"	1058.768152	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+2Cl"	69.938804
"1023505"	376.235652	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2Cl"	69.938804
"1245516"	761.451385	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Br"	78.918885
"1316716"	763.507372	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Cl+HCOOH"	80.974872
"1330932"	785.489329	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Cl+NaCOOH"	102.956829
"919804"	795.518086	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M-H+CF3COOH"	112.985586
"1291772"	831.494764	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Cl+CF3COOH"	148.962264
"1368475"	647.519824	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H-2H2O"	-35.012676
"1383786"	665.5298	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H-H2O"	-17.0027
"286756"	1366.072276	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+H"	1.007276
"678083"	2048.604776	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+H"	1.007276
"1353336"	683.539776	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H"	1.007276
"128047"	683.539776	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+2H"	2.014552
"568704"	1024.806026	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+2H"	2.014552
"1040052"	342.273526	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2H"	2.014552
"207222"	456.028942666667	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+3H"	3.021828
"647147"	683.539776	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+3H"	3.021828
"1167460"	228.518109333333	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+3H"	3.021828
"426358"	1383.098823	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+NH4"	18.033823
"789175"	2065.631323	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+NH4"	18.033823
"1685869"	700.566323	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+NH4"	18.033823
"333059"	692.0530495	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+H+NH4"	19.041099
"726582"	1033.3192995	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+H+NH4"	19.041099
"1480401"	350.7867995	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H+NH4"	19.041099
"396896"	1388.054218	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+Na"	22.989218
"761177"	2070.586718	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+Na"	22.989218
"1610367"	705.521718	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Na"	22.989218
"329038"	694.530747	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+H+Na"	23.996494
"718297"	1035.796997	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+H+Na"	23.996494
"1471024"	353.264497	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H+Na"	23.996494
"1068431"	235.845423333333	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2H+Na"	25.00377
"1271297"	715.565986	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+CH3OH+H"	33.033486
"387805"	1404.028158	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+K"	38.963158
"746612"	2086.560658	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+K"	38.963158
"1545383"	721.495658	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+K"	38.963158
"301097"	702.517717	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+H+K"	39.970434
"694246"	1043.783967	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+H+K"	39.970434
"1450254"	361.251467	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H+K"	39.970434
"243962"	1407.098826	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+ACN+H"	42.033826
"1221051"	724.566326	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+ACN+H"	42.033826
"1208953"	362.786801	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+ACN+2H"	43.041102
"202913"	1410.03616	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+2Na-H"	44.97116
"642837"	2092.56866	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+2Na-H"	44.97116
"1140875"	727.50366	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2Na-H"	44.97116
"177603"	705.521718	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+2Na"	45.978436
"618259"	1046.787968	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+2Na"	45.978436
"1119577"	364.255468	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2Na"	45.978436
"1409665"	243.172737333333	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H+2Na"	46.985712
"1439596"	729.545246	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H+HCOOH"	47.012746
"222731"	710.55474	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+3H2O+2H"	56.04448
"1511156"	743.59729	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+IsoProp+H"	61.06479
"411572"	713.508688	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+Na+K"	61.952376
"772931"	1054.774938	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+Na+K"	61.952376
"1668896"	372.242438	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Na+K"	61.952376
"256510"	1429.080768	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+ACN+Na"	64.015768
"1230316"	746.548268	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+ACN+Na"	64.015768
"1718108"	746.571793	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+NH4+HCOOH"	64.039293
"1184553"	250.500051333333	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+3Na"	68.967654
"1654448"	751.527188	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Na+HCOOH"	68.994688
"162408"	1441.98404	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+2K-H"	76.91904
"601966"	2124.51654	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+2K-H"	76.91904
"1096328"	759.45154	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2K-H"	76.91904
"153145"	721.495658	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"2M+2K"	77.926316
"594532"	1062.761908	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"3M+2K"	77.926316
"1082324"	380.229408	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2K"	77.926316
"1112617"	761.466092	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2K+H"	78.933592
"1349370"	761.553707	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+DMSO+H"	79.021207
"1018267"	765.592876	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2ACN+H"	83.060376
"1536752"	766.586508	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+IsoProp+Na+H"	84.054008
"1003930"	383.300076	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+2ACN+2H"	84.067652
"1600258"	767.501128	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+K+HCOOH"	84.968628
"1425918"	797.532638	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+H+CF3COOH"	115.000138
"1160941"	403.813351	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+3ACN+2H"	125.094202
"1710856"	814.559185	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+NH4+CF3COOH"	132.026685
"1646506"	819.51458	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+Na+CF3COOH"	136.98208
"1585436"	835.48852	"C05809"	"3-Octaprenyl-4-hydroxybenzoate;4-Hydroxy-3-octaprenylbenzoate"	"C47H70O3"	"682.5325"	"M+K+CF3COOH"	152.95602
"805961"	638.5427	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M"	0
"974395"	619.52431	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-H2O-H"	-19.01839
"64459"	424.687857333333	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M-3H"	-3.021828
"507301"	637.535424	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M-3H"	-3.021828
"887291"	211.840290666667	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-3H"	-3.021828
"4772"	637.535424	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M-2H"	-2.014552
"447612"	956.806774	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M-2H"	-2.014552
"826510"	318.264074	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-2H"	-2.014552
"81760"	1276.078124	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M-H"	-1.007276
"524237"	1914.620824	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M-H"	-1.007276
"902769"	637.535424	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-H"	-1.007276
"54958"	1293.104671	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M-2H+NH4"	16.019271
"496706"	1931.647371	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M-2H+NH4"	16.019271
"874510"	654.561971	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-2H+NH4"	16.019271
"35849"	1298.060066	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M-2H+Na"	20.974666
"475042"	1936.602766	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M-2H+Na"	20.974666
"851019"	659.517366	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-2H+Na"	20.974666
"1620918"	659.517366	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Na-2H"	20.974666
"96354"	655.523763	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M-H+Cl"	33.962126
"537008"	974.795113	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M-H+Cl"	33.962126
"929789"	336.252413	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-H+Cl"	33.962126
"270899"	1312.054802	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+Cl"	34.969402
"664417"	1950.597502	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+Cl"	34.969402
"1279007"	673.512102	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Cl"	34.969402
"19375"	1314.034006	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M-2H+K"	36.948606
"458936"	1952.576706	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M-2H+K"	36.948606
"833457"	675.491306	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-2H+K"	36.948606
"1556342"	675.491306	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+K-2H"	36.948606
"943981"	683.540894	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-H+HCOOH"	44.998194
"363047"	1322.083601	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+HCOOH-H"	44.998201
"349118"	1336.099251	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+Hac-H"	59.013851
"1496857"	697.556551	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Hac-H"	59.013851
"959900"	705.522851	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-H+NaCOOH"	66.980151
"110634"	673.512102	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+2Cl"	69.938804
"552138"	992.783452	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+2Cl"	69.938804
"1021789"	354.240752	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2Cl"	69.938804
"1242709"	717.461585	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Br"	78.918885
"1304223"	719.517572	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Cl+HCOOH"	80.974872
"1331042"	741.499529	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Cl+NaCOOH"	102.956829
"919914"	751.528286	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M-H+CF3COOH"	112.985586
"1289329"	787.504964	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Cl+CF3COOH"	148.962264
"1368585"	603.530024	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H-2H2O"	-35.012676
"1383288"	621.54	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H-H2O"	-17.0027
"287230"	1278.092676	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+H"	1.007276
"678192"	1916.635376	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+H"	1.007276
"1351987"	639.549976	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H"	1.007276
"128886"	639.549976	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+2H"	2.014552
"568449"	958.821326	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+2H"	2.014552
"1039070"	320.278626	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2H"	2.014552
"206239"	426.702409333333	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+3H"	3.021828
"645069"	639.549976	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+3H"	3.021828
"1166842"	213.854842666667	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+3H"	3.021828
"427561"	1295.119223	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+NH4"	18.033823
"789286"	1933.661923	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+NH4"	18.033823
"1684888"	656.576523	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+NH4"	18.033823
"333170"	648.0632495	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+H+NH4"	19.041099
"725234"	967.3345995	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+H+NH4"	19.041099
"1479783"	328.7918995	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H+NH4"	19.041099
"397006"	1300.074618	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+Na"	22.989218
"761285"	1938.617318	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+Na"	22.989218
"1610477"	661.531918	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Na"	22.989218
"328174"	650.540947	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+H+Na"	23.996494
"718407"	969.812297	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+H+Na"	23.996494
"1471134"	331.269597	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H+Na"	23.996494
"1068234"	221.182156666667	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2H+Na"	25.00377
"1272667"	671.576186	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+CH3OH+H"	33.033486
"390102"	1316.048558	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+K"	38.963158
"744535"	1954.591258	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+K"	38.963158
"1545493"	677.505858	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+K"	38.963158
"300480"	658.527917	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+H+K"	39.970434
"693262"	977.799267	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+H+K"	39.970434
"1446719"	339.256567	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H+K"	39.970434
"240792"	1319.119226	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+ACN+H"	42.033826
"1222254"	680.576526	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+ACN+H"	42.033826
"1205053"	340.791901	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+ACN+2H"	43.041102
"201201"	1322.05656	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+2Na-H"	44.97116
"640761"	1960.59926	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+2Na-H"	44.97116
"1140985"	683.51386	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2Na-H"	44.97116
"178806"	661.531918	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+2Na"	45.978436
"621649"	980.803268	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+2Na"	45.978436
"1121873"	342.260568	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2Na"	45.978436
"1409775"	228.509470666667	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H+2Na"	46.985712
"1438612"	685.555446	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H+HCOOH"	47.012746
"221380"	666.56494	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+3H2O+2H"	56.04448
"1510900"	699.60749	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+IsoProp+H"	61.06479
"410586"	669.518888	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+Na+K"	61.952376
"773770"	988.790238	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+Na+K"	61.952376
"1669006"	350.247538	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Na+K"	61.952376
"255526"	1341.101168	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+ACN+Na"	64.015768
"1230788"	702.558468	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+ACN+Na"	64.015768
"1717122"	702.581993	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+NH4+HCOOH"	64.039293
"1182841"	235.836784666667	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+3Na"	68.967654
"1653463"	707.537388	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Na+HCOOH"	68.994688
"163610"	1354.00444	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+2K-H"	76.91904
"604261"	1992.54714	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+2K-H"	76.91904
"1095345"	715.46174	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2K-H"	76.91904
"153255"	677.505858	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"2M+2K"	77.926316
"596099"	996.777208	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"3M+2K"	77.926316
"1082072"	358.234508	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2K"	77.926316
"1114310"	717.476292	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2K+H"	78.933592
"1348387"	717.563907	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+DMSO+H"	79.021207
"1019104"	721.603076	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2ACN+H"	83.060376
"1537956"	722.596708	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+IsoProp+Na+H"	84.054008
"1003677"	361.305176	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+2ACN+2H"	84.067652
"1601823"	723.511328	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+K+HCOOH"	84.968628
"1426756"	753.542838	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+H+CF3COOH"	115.000138
"1161415"	381.818451	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+3ACN+2H"	125.094202
"1710966"	770.569385	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+NH4+CF3COOH"	132.026685
"1646616"	775.52478	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+Na+CF3COOH"	136.98208
"1585546"	791.49872	"C05810"	"2-Octaprenylphenol"	"C46H70O"	"638.5427"	"M+K+CF3COOH"	152.95602
"806071"	654.5376	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M"	0
"974499"	635.51921	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-H2O-H"	-19.01839
"63272"	435.351124	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M-3H"	-3.021828
"507411"	653.530324	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M-3H"	-3.021828
"884120"	217.171924	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-3H"	-3.021828
"2693"	653.530324	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M-2H"	-2.014552
"442253"	980.799124	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M-2H"	-2.014552
"817377"	326.261524	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-2H"	-2.014552
"80411"	1308.067924	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M-H"	-1.007276
"519605"	1962.605524	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M-H"	-1.007276
"902879"	653.530324	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-H"	-1.007276
"57255"	1325.094471	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M-2H+NH4"	16.019271
"497910"	1979.632071	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M-2H+NH4"	16.019271
"874620"	670.556871	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-2H+NH4"	16.019271
"34866"	1330.049866	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M-2H+Na"	20.974666
"473332"	1984.587466	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M-2H+Na"	20.974666
"851497"	675.512266	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-2H+Na"	20.974666
"1622852"	675.512266	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Na-2H"	20.974666
"95372"	671.518663	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M-H+Cl"	33.962126
"535661"	998.787463	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M-H+Cl"	33.962126
"928806"	344.249863	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-H+Cl"	33.962126
"268822"	1344.044602	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+Cl"	34.969402
"661612"	1998.582202	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+Cl"	34.969402
"1275837"	689.507002	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Cl"	34.969402
"17299"	1346.023806	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M-2H+K"	36.948606
"457953"	2000.561406	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M-2H+K"	36.948606
"834660"	691.486206	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-2H+K"	36.948606
"1556209"	691.486206	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+K-2H"	36.948606
"943484"	699.535794	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-H+HCOOH"	44.998194
"364249"	1354.073401	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+HCOOH-H"	44.998201
"354695"	1368.089051	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+Hac-H"	59.013851
"1493321"	713.551451	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Hac-H"	59.013851
"959038"	721.517751	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-H+NaCOOH"	66.980151
"110256"	689.507002	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+2Cl"	69.938804
"550343"	1016.775802	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+2Cl"	69.938804
"1022141"	362.238202	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2Cl"	69.938804
"1241331"	733.456485	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Br"	78.918885
"1304495"	735.512472	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Cl+HCOOH"	80.974872
"1330059"	757.494429	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Cl+NaCOOH"	102.956829
"920025"	767.523186	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M-H+CF3COOH"	112.985586
"1291992"	803.499864	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Cl+CF3COOH"	148.962264
"1370883"	619.524924	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H-2H2O"	-35.012676
"1383276"	637.5349	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H-H2O"	-17.0027
"287705"	1310.082476	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+H"	1.007276
"677573"	1964.620076	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+H"	1.007276
"1352097"	655.544876	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H"	1.007276
"127175"	655.544876	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+2H"	2.014552
"568924"	982.813676	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+2H"	2.014552
"1038084"	328.276076	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2H"	2.014552
"205255"	437.365676	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+3H"	3.021828
"645179"	655.544876	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+3H"	3.021828
"1165858"	219.186476	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+3H"	3.021828
"426943"	1327.109023	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+NH4"	18.033823
"786846"	1981.646623	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+NH4"	18.033823
"1686091"	672.571423	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+NH4"	18.033823
"331094"	664.0581495	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+H+NH4"	19.041099
"724980"	991.3269495	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+H+NH4"	19.041099
"1477461"	336.7893495	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H+NH4"	19.041099
"397116"	1332.064418	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+Na"	22.989218
"761395"	1986.602018	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+Na"	22.989218
"1610587"	677.526818	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Na"	22.989218
"327799"	666.535847	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+H+Na"	23.996494
"719609"	993.804647	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+H+Na"	23.996494
"1472337"	339.267047	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H+Na"	23.996494
"1067411"	226.51379	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2H+Na"	25.00377
"1271518"	687.571086	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+CH3OH+H"	33.033486
"390212"	1348.038358	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+K"	38.963158
"749018"	2002.575958	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+K"	38.963158
"1546696"	693.500758	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+K"	38.963158
"300953"	674.522817	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+H+K"	39.970434
"695195"	1001.791617	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+H+K"	39.970434
"1449017"	347.254017	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H+K"	39.970434
"240902"	1351.109026	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+ACN+H"	42.033826
"1221271"	696.571426	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+ACN+H"	42.033826
"1208077"	348.789351	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+ACN+2H"	43.041102
"203133"	1354.04636	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+2Na-H"	44.97116
"638683"	2008.58396	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+2Na-H"	44.97116
"1140002"	699.50876	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2Na-H"	44.97116
"178916"	677.526818	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+2Na"	45.978436
"618479"	1004.795618	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+2Na"	45.978436
"1123076"	350.258018	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2Na"	45.978436
"1403325"	233.841104	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H+2Na"	46.985712
"1437628"	701.550346	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H+HCOOH"	47.012746
"222222"	682.55984	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+3H2O+2H"	56.04448
"1509554"	715.60239	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+IsoProp+H"	61.06479
"408876"	685.513788	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+Na+K"	61.952376
"772786"	1012.782588	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+Na+K"	61.952376
"1669116"	358.244988	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Na+K"	61.952376
"255636"	1373.090968	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+ACN+Na"	64.015768
"1230534"	718.553368	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+ACN+Na"	64.015768
"1717232"	718.576893	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+NH4+HCOOH"	64.039293
"1184045"	241.168418	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+3Na"	68.967654
"1655759"	723.532288	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Na+HCOOH"	68.994688
"163715"	1385.99424	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+2K-H"	76.91904
"599993"	2040.53184	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+2K-H"	76.91904
"1089982"	731.45664	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2K-H"	76.91904
"153364"	693.500758	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"2M+2K"	77.926316
"595110"	1020.769558	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"3M+2K"	77.926316
"1080718"	366.231958	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2K"	77.926316
"1113209"	733.471192	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2K+H"	78.933592
"1348499"	733.558807	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+DMSO+H"	79.021207
"1019701"	737.597976	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2ACN+H"	83.060376
"1537948"	738.591608	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+IsoProp+Na+H"	84.054008
"1004392"	369.302626	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+2ACN+2H"	84.067652
"1596826"	739.506228	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+K+HCOOH"	84.968628
"1426866"	769.537738	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+H+CF3COOH"	115.000138
"1160431"	389.815901	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+3ACN+2H"	125.094202
"1712169"	786.564285	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+NH4+CF3COOH"	132.026685
"1647819"	791.51968	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+Na+CF3COOH"	136.98208
"1585656"	807.49362	"C05811"	"2-Octaprenyl-6-hydroxyphenol;3-Octaprenylcatechol"	"C46H70O2"	"654.5376"	"M+K+CF3COOH"	152.95602
"806181"	668.5532	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M"	0
"975336"	649.53481	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-H2O-H"	-19.01839
"65773"	444.694857333333	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M-3H"	-3.021828
"507521"	667.545924	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M-3H"	-3.021828
"883136"	221.843790666667	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-3H"	-3.021828
"3167"	667.545924	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M-2H"	-2.014552
"442363"	1001.822524	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M-2H"	-2.014552
"817235"	333.269324	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-2H"	-2.014552
"81249"	1336.099124	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M-H"	-1.007276
"519349"	2004.652324	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M-H"	-1.007276
"904082"	667.545924	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-H"	-1.007276
"57365"	1353.125671	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M-2H+NH4"	16.019271
"498020"	2021.678871	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M-2H+NH4"	16.019271
"873637"	684.572471	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-2H+NH4"	16.019271
"38257"	1358.081066	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M-2H+Na"	20.974666
"475630"	2026.634266	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M-2H+Na"	20.974666
"850148"	689.527866	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-2H+Na"	20.974666
"1619315"	689.527866	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Na-2H"	20.974666
"94792"	685.534263	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M-H+Cl"	33.962126
"535771"	1019.810863	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M-H+Cl"	33.962126
"927252"	351.257663	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-H+Cl"	33.962126
"268932"	1372.075802	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+Cl"	34.969402
"660546"	2040.629002	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+Cl"	34.969402
"1274853"	703.522602	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Cl"	34.969402
"17409"	1374.055006	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M-2H+K"	36.948606
"459156"	2042.608206	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M-2H+K"	36.948606
"835863"	705.501806	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-2H+K"	36.948606
"1555828"	705.501806	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+K-2H"	36.948606
"944080"	713.551394	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-H+HCOOH"	44.998194
"363265"	1382.104601	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+HCOOH-H"	44.998201
"348243"	1396.120251	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+Hac-H"	59.013851
"1494886"	727.567051	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Hac-H"	59.013851
"958602"	735.533351	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-H+NaCOOH"	66.980151
"110035"	703.522602	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+2Cl"	69.938804
"549972"	1037.799202	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+2Cl"	69.938804
"1021641"	369.246002	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2Cl"	69.938804
"1241360"	747.472085	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Br"	78.918885
"1304397"	749.528072	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Cl+HCOOH"	80.974872
"1320680"	771.510029	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Cl+NaCOOH"	102.956829
"912464"	781.538786	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M-H+CF3COOH"	112.985586
"1289546"	817.515464	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Cl+CF3COOH"	148.962264
"1367258"	633.540524	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H-2H2O"	-35.012676
"1383752"	651.5505	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H-H2O"	-17.0027
"285627"	1338.113676	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+H"	1.007276
"676220"	2006.666876	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+H"	1.007276
"1352084"	669.560476	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H"	1.007276
"126921"	669.560476	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+2H"	2.014552
"567940"	1003.837076	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+2H"	2.014552
"1037216"	335.283876	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2H"	2.014552
"204991"	446.709409333333	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+3H"	3.021828
"645286"	669.560476	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+3H"	3.021828
"1163533"	223.858342666667	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+3H"	3.021828
"425350"	1355.140223	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+NH4"	18.033823
"786952"	2023.693423	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+NH4"	18.033823
"1684740"	686.587023	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+NH4"	18.033823
"331203"	678.0737495	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+H+NH4"	19.041099
"724357"	1012.3503495	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+H+NH4"	19.041099
"1477692"	343.7971495	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H+NH4"	19.041099
"397226"	1360.095618	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+Na"	22.989218
"759317"	2028.648818	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+Na"	22.989218
"1604134"	691.542418	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Na"	22.989218
"320737"	680.551447	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+H+Na"	23.996494
"712061"	1014.828047	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+H+Na"	23.996494
"1468071"	346.274847	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H+Na"	23.996494
"1066428"	231.185656666667	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2H+Na"	25.00377
"1271507"	701.586686	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+CH3OH+H"	33.033486
"388134"	1376.069558	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+K"	38.963158
"749128"	2044.622758	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+K"	38.963158
"1547898"	707.516358	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+K"	38.963158
"303977"	688.538417	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+H+K"	39.970434
"695669"	1022.815017	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+H+K"	39.970434
"1449492"	354.261817	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H+K"	39.970434
"242469"	1379.140226	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+ACN+H"	42.033826
"1221381"	710.587026	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+ACN+H"	42.033826
"1199801"	355.797151	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+ACN+2H"	43.041102
"194859"	1382.07756	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+2Na-H"	44.97116
"635513"	2050.63076	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+2Na-H"	44.97116
"1140112"	713.52436	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2Na-H"	44.97116
"180121"	691.542418	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+2Na"	45.978436
"616397"	1025.819018	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+2Na"	45.978436
"1120999"	357.265818	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2Na"	45.978436
"1401247"	238.512970666667	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H+2Na"	46.985712
"1435551"	715.565946	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H+HCOOH"	47.012746
"222332"	696.57544	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+3H2O+2H"	56.04448
"1509299"	729.61799	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+IsoProp+H"	61.06479
"409715"	699.529388	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+Na+K"	61.952376
"771074"	1033.805988	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+Na+K"	61.952376
"1668133"	365.252788	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Na+K"	61.952376
"254653"	1401.122168	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+ACN+Na"	64.015768
"1230642"	732.568968	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+ACN+Na"	64.015768
"1714061"	732.592493	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+NH4+HCOOH"	64.039293
"1179050"	245.840284666667	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+3Na"	68.967654
"1652588"	737.547888	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Na+HCOOH"	68.994688
"161639"	1414.02544	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+2K-H"	76.91904
"600103"	2082.57864	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+2K-H"	76.91904
"1090092"	745.47224	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2K-H"	76.91904
"153474"	707.516358	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"2M+2K"	77.926316
"594127"	1041.792958	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"3M+2K"	77.926316
"1082774"	373.239758	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2K"	77.926316
"1113318"	747.486792	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2K+H"	78.933592
"1350431"	747.574407	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+DMSO+H"	79.021207
"1020297"	751.613576	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2ACN+H"	83.060376
"1537816"	752.607208	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+IsoProp+Na+H"	84.054008
"1004624"	376.310426	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+2ACN+2H"	84.067652
"1601311"	753.521828	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+K+HCOOH"	84.968628
"1426976"	783.553338	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+H+CF3COOH"	115.000138
"1162688"	396.823701	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+3ACN+2H"	125.094202
"1712523"	800.579885	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+NH4+CF3COOH"	132.026685
"1648659"	805.53528	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+Na+CF3COOH"	136.98208
"1575925"	821.50922	"C05812"	"2-Octaprenyl-6-methoxyphenol"	"C47H72O2"	"668.5532"	"M+K+CF3COOH"	152.95602
"802159"	682.5325	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M"	0
"985293"	663.51411	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-H2O-H"	-19.01839
"64790"	454.014390666667	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M-3H"	-3.021828
"506537"	681.525224	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M-3H"	-3.021828
"883246"	226.503557333333	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-3H"	-3.021828
"1820"	681.525224	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M-2H"	-2.014552
"441248"	1022.791474	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M-2H"	-2.014552
"817841"	340.258974	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-2H"	-2.014552
"80626"	1364.057724	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M-H"	-1.007276
"521281"	2046.590224	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M-H"	-1.007276
"898717"	681.525224	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-H"	-1.007276
"52005"	1381.084271	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M-2H+NH4"	16.019271
"499223"	2063.616771	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M-2H+NH4"	16.019271
"873747"	698.551771	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-2H+NH4"	16.019271
"38367"	1386.039666	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M-2H+Na"	20.974666
"479020"	2068.572166	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M-2H+Na"	20.974666
"852446"	703.507166	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-2H+Na"	20.974666
"1620519"	703.507166	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Na-2H"	20.974666
"96320"	699.513563	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M-H+Cl"	33.962126
"536976"	1040.779813	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M-H+Cl"	33.962126
"930491"	358.247313	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-H+Cl"	33.962126
"270139"	1400.034402	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+Cl"	34.969402
"661468"	2082.566902	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+Cl"	34.969402
"1273626"	717.501902	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Cl"	34.969402
"17034"	1402.013606	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M-2H+K"	36.948606
"456351"	2084.546106	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M-2H+K"	36.948606
"839258"	719.481106	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-2H+K"	36.948606
"1561658"	719.481106	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+K-2H"	36.948606
"946259"	727.530694	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-H+HCOOH"	44.998194
"361921"	1410.063201	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+HCOOH-H"	44.998201
"346654"	1424.078851	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+Hac-H"	59.013851
"1492873"	741.546351	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Hac-H"	59.013851
"958645"	749.512651	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-H+NaCOOH"	66.980151
"111207"	717.501902	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+2Cl"	69.938804
"551008"	1058.768152	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+2Cl"	69.938804
"1021870"	376.235652	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2Cl"	69.938804
"1241937"	761.451385	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Br"	78.918885
"1305853"	763.507372	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Cl+HCOOH"	80.974872
"1320799"	785.489329	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Cl+NaCOOH"	102.956829
"912097"	795.518086	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M-H+CF3COOH"	112.985586
"1288924"	831.494764	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Cl+CF3COOH"	148.962264
"1368064"	647.519824	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H-2H2O"	-35.012676
"1384103"	665.5298	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H-H2O"	-17.0027
"285252"	1366.072276	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+H"	1.007276
"676573"	2048.604776	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+H"	1.007276
"1352315"	683.539776	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H"	1.007276
"127033"	683.539776	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+2H"	2.014552
"566308"	1024.806026	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+2H"	2.014552
"1038793"	342.273526	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2H"	2.014552
"206933"	456.028942666667	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+3H"	3.021828
"646855"	683.539776	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+3H"	3.021828
"1164619"	228.518109333333	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+3H"	3.021828
"426432"	1383.098823	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+NH4"	18.033823
"787791"	2065.631323	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+NH4"	18.033823
"1683029"	700.566323	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+NH4"	18.033823
"337881"	692.0530495	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+H+NH4"	19.041099
"723497"	1033.3192995	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+H+NH4"	19.041099
"1480844"	350.7867995	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H+NH4"	19.041099
"394056"	1388.054218	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+Na"	22.989218
"765990"	2070.586718	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+Na"	22.989218
"1611901"	705.521718	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Na"	22.989218
"325224"	694.530747	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+H+Na"	23.996494
"720805"	1035.796997	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+H+Na"	23.996494
"1473652"	353.264497	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H+Na"	23.996494
"1063617"	235.845423333333	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2H+Na"	25.00377
"1271738"	715.565986	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+CH3OH+H"	33.033486
"390432"	1404.028158	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+K"	38.963158
"745959"	2086.560658	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+K"	38.963158
"1549103"	721.495658	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+K"	38.963158
"304090"	702.517717	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+H+K"	39.970434
"697969"	1043.783967	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+H+K"	39.970434
"1453613"	361.251467	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H+K"	39.970434
"244765"	1407.098826	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+ACN+H"	42.033826
"1220398"	724.566326	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+ACN+H"	42.033826
"1206112"	362.786801	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+ACN+2H"	43.041102
"200439"	1410.03616	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+2Na-H"	44.97116
"641820"	2092.56866	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+2Na-H"	44.97116
"1142050"	727.50366	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2Na-H"	44.97116
"184973"	705.521718	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+2Na"	45.978436
"617606"	1046.787968	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+2Na"	45.978436
"1126219"	364.255468	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2Na"	45.978436
"1403545"	243.172737333333	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H+2Na"	46.985712
"1435661"	729.545246	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H+HCOOH"	47.012746
"220573"	710.55474	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+3H2O+2H"	56.04448
"1511596"	743.59729	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+IsoProp+H"	61.06479
"409213"	713.508688	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+Na+K"	61.952376
"771425"	1054.774938	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+Na+K"	61.952376
"1668969"	372.242438	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Na+K"	61.952376
"252696"	1429.080768	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+ACN+Na"	64.015768
"1229658"	746.548268	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+ACN+Na"	64.015768
"1713929"	746.571793	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+NH4+HCOOH"	64.039293
"1181715"	250.500051333333	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+3Na"	68.967654
"1653068"	751.527188	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Na+HCOOH"	68.994688
"159567"	1441.98404	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+2K-H"	76.91904
"601675"	2124.51654	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+2K-H"	76.91904
"1088739"	759.45154	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2K-H"	76.91904
"153584"	721.495658	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"2M+2K"	77.926316
"593145"	1062.761908	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"3M+2K"	77.926316
"1079853"	380.229408	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2K"	77.926316
"1111968"	761.466092	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2K+H"	78.933592
"1346167"	761.553707	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+DMSO+H"	79.021207
"1017614"	765.592876	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2ACN+H"	83.060376
"1537560"	766.586508	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+IsoProp+Na+H"	84.054008
"1002547"	383.300076	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+2ACN+2H"	84.067652
"1599236"	767.501128	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+K+HCOOH"	84.968628
"1427086"	797.532638	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+H+CF3COOH"	115.000138
"1158463"	403.813351	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+3ACN+2H"	125.094202
"1705827"	814.559185	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+NH4+CF3COOH"	132.026685
"1641478"	819.51458	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+Na+CF3COOH"	136.98208
"1576035"	835.48852	"C05813"	"2-Octaprenyl-6-methoxy-14-benzoquinone"	"C47H70O3"	"682.5325"	"M+K+CF3COOH"	152.95602
"816936"	696.5481	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M"	0
"987590"	677.52971	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-H2O-H"	-19.01839
"72556"	463.358124	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M-3H"	-3.021828
"508835"	695.540824	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M-3H"	-3.021828
"882261"	231.175424	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-3H"	-3.021828
"833"	695.540824	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M-2H"	-2.014552
"448052"	1043.814874	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M-2H"	-2.014552
"819656"	347.266774	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-2H"	-2.014552
"86939"	1392.088924	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M-H"	-1.007276
"523218"	2088.637024	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M-H"	-1.007276
"909770"	695.540824	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-H"	-1.007276
"61717"	1409.115471	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M-2H+NH4"	16.019271
"499332"	2105.663571	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M-2H+NH4"	16.019271
"877136"	712.567371	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-2H+NH4"	16.019271
"41758"	1414.070866	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M-2H+Na"	20.974666
"483503"	2110.618966	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M-2H+Na"	20.974666
"851464"	717.522766	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-2H+Na"	20.974666
"1625371"	717.522766	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Na-2H"	20.974666
"96795"	713.529163	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M-H+Cl"	33.962126
"542554"	1061.803213	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M-H+Cl"	33.962126
"930601"	365.255113	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-H+Cl"	33.962126
"270249"	1428.065602	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+Cl"	34.969402
"662671"	2124.613702	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+Cl"	34.969402
"1277261"	731.517502	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Cl"	34.969402
"17874"	1430.044806	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M-2H+K"	36.948606
"458649"	2126.592906	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M-2H+K"	36.948606
"839368"	733.496706	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-2H+K"	36.948606
"1565047"	733.496706	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+K-2H"	36.948606
"943817"	741.546294	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-H+HCOOH"	44.998194
"361433"	1438.094401	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+HCOOH-H"	44.998201
"345953"	1452.110051	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+Hac-H"	59.013851
"1492821"	755.561951	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Hac-H"	59.013851
"958652"	763.528251	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-H+NaCOOH"	66.980151
"111561"	731.517502	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+2Cl"	69.938804
"551484"	1079.791552	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+2Cl"	69.938804
"1022467"	383.243452	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2Cl"	69.938804
"1241683"	775.466985	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Br"	78.918885
"1304863"	777.522972	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Cl+HCOOH"	80.974872
"1324907"	799.504929	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Cl+NaCOOH"	102.956829
"913417"	809.533686	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M-H+CF3COOH"	112.985586
"1293768"	845.510364	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Cl+CF3COOH"	148.962264
"1367054"	661.535424	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H-2H2O"	-35.012676
"1382754"	679.5454	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H-H2O"	-17.0027
"282874"	1394.103476	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+H"	1.007276
"676036"	2090.651576	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+H"	1.007276
"1352062"	697.555376	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H"	1.007276
"127507"	697.555376	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+2H"	2.014552
"566459"	1045.829426	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+2H"	2.014552
"1038420"	349.281326	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2H"	2.014552
"204773"	465.372676	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+3H"	3.021828
"644534"	697.555376	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+3H"	3.021828
"1164363"	233.189976	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+3H"	3.021828
"424396"	1411.130023	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+NH4"	18.033823
"786198"	2107.678123	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+NH4"	18.033823
"1681920"	714.581923	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+NH4"	18.033823
"335804"	706.0686495	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+H+NH4"	19.041099
"723365"	1054.3426995	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+H+NH4"	19.041099
"1479861"	357.7945995	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H+NH4"	19.041099
"394894"	1416.085418	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+Na"	22.989218
"765005"	2112.633518	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+Na"	22.989218
"1612010"	719.537318	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Na"	22.989218
"320952"	708.546347	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+H+Na"	23.996494
"713373"	1056.820397	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+H+Na"	23.996494
"1473761"	360.272297	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H+Na"	23.996494
"1064820"	240.51729	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2H+Na"	25.00377
"1272741"	729.581586	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+CH3OH+H"	33.033486
"392449"	1432.059358	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+K"	38.963158
"749350"	2128.607458	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+K"	38.963158
"1547028"	735.511258	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+K"	38.963158
"302381"	716.533317	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+H+K"	39.970434
"698809"	1064.807367	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+H+K"	39.970434
"1450808"	368.259267	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H+K"	39.970434
"243418"	1435.130026	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+ACN+H"	42.033826
"1223786"	738.581926	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+ACN+H"	42.033826
"1208408"	369.794601	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+ACN+2H"	43.041102
"202737"	1438.06736	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+2Na-H"	44.97116
"642294"	2134.61546	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+2Na-H"	44.97116
"1143253"	741.51926	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2Na-H"	44.97116
"185811"	719.537318	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+2Na"	45.978436
"617716"	1067.811368	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+2Na"	45.978436
"1127422"	371.263268	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2Na"	45.978436
"1400741"	247.844604	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H+2Na"	46.985712
"1431764"	743.560846	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H+HCOOH"	47.012746
"220848"	724.57034	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+3H2O+2H"	56.04448
"1509523"	757.61289	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+IsoProp+H"	61.06479
"409447"	727.524288	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+Na+K"	61.952376
"771656"	1075.798338	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+Na+K"	61.952376
"1666406"	379.250238	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Na+K"	61.952376
"252321"	1457.111968	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+ACN+Na"	64.015768
"1225838"	760.563868	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+ACN+Na"	64.015768
"1713105"	760.587393	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+NH4+HCOOH"	64.039293
"1179395"	255.171918	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+3Na"	68.967654
"1650988"	765.542788	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Na+HCOOH"	68.994688
"160406"	1470.01524	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+2K-H"	76.91904
"601784"	2166.56334	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+2K-H"	76.91904
"1090312"	773.46714	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2K-H"	76.91904
"156734"	735.511258	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"2M+2K"	77.926316
"595078"	1083.785308	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"3M+2K"	77.926316
"1079236"	387.237208	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2K"	77.926316
"1109892"	775.481692	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2K+H"	78.933592
"1345913"	775.569307	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+DMSO+H"	79.021207
"1014446"	779.608476	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2ACN+H"	83.060376
"1534022"	780.602108	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+IsoProp+Na+H"	84.054008
"1001565"	390.307876	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+2ACN+2H"	84.067652
"1600807"	781.516728	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+K+HCOOH"	84.968628
"1425007"	811.548238	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+H+CF3COOH"	115.000138
"1159671"	410.821151	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+3ACN+2H"	125.094202
"1711406"	828.574785	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+NH4+CF3COOH"	132.026685
"1648149"	833.53018	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+Na+CF3COOH"	136.98208
"1576145"	849.50412	"C05814"	"2-Octaprenyl-3-methyl-6-methoxy-14-benzoquinone"	"C48H72O3"	"696.5481"	"M+K+CF3COOH"	152.95602
"806511"	712.5431	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M"	0
"974325"	693.52471	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-H2O-H"	-19.01839
"72666"	474.021457333333	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M-3H"	-3.021828
"507852"	711.535824	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M-3H"	-3.021828
"880669"	236.507090666667	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-3H"	-3.021828
"134"	711.535824	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M-2H"	-2.014552
"447069"	1067.807374	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M-2H"	-2.014552
"819402"	355.264274	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-2H"	-2.014552
"85956"	1424.078924	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M-H"	-1.007276
"523328"	2136.622024	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M-H"	-1.007276
"910852"	711.535824	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-H"	-1.007276
"61948"	1441.105471	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M-2H+NH4"	16.019271
"499442"	2153.648571	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M-2H+NH4"	16.019271
"873966"	728.562371	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-2H+NH4"	16.019271
"41868"	1446.060866	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M-2H+Na"	20.974666
"483613"	2158.603966	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M-2H+Na"	20.974666
"851574"	733.517766	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-2H+Na"	20.974666
"1622201"	733.517766	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Na-2H"	20.974666
"96176"	729.524163	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M-H+Cl"	33.962126
"542664"	1085.795713	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M-H+Cl"	33.962126
"929617"	373.252613	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-H+Cl"	33.962126
"272546"	1460.055602	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+Cl"	34.969402
"661807"	2172.598702	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+Cl"	34.969402
"1275183"	747.512502	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Cl"	34.969402
"19927"	1462.034806	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M-2H+K"	36.948606
"456207"	2174.577906	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M-2H+K"	36.948606
"835104"	749.491706	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-2H+K"	36.948606
"1562971"	749.491706	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+K-2H"	36.948606
"943319"	757.541294	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-H+HCOOH"	44.998194
"361894"	1470.084401	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+HCOOH-H"	44.998201
"346265"	1484.100051	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+Hac-H"	59.013851
"1493104"	771.556951	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Hac-H"	59.013851
"958623"	779.523251	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-H+NaCOOH"	66.980151
"110578"	747.512502	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+2Cl"	69.938804
"550623"	1103.784052	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+2Cl"	69.938804
"1021686"	391.240952	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2Cl"	69.938804
"1242523"	791.461985	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Br"	78.918885
"1307524"	793.517972	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Cl+HCOOH"	80.974872
"1321739"	815.499929	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Cl+NaCOOH"	102.956829
"916077"	825.528686	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M-H+CF3COOH"	112.985586
"1294970"	861.505364	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Cl+CF3COOH"	148.962264
"1368037"	677.530424	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H-2H2O"	-35.012676
"1382775"	695.5404	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H-H2O"	-17.0027
"282989"	1426.093476	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+H"	1.007276
"676067"	2138.636576	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+H"	1.007276
"1351808"	713.550376	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H"	1.007276
"129440"	713.550376	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+2H"	2.014552
"565716"	1069.821926	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+2H"	2.014552
"1037555"	357.278826	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2H"	2.014552
"204304"	476.036009333333	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+3H"	3.021828
"644360"	713.550376	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+3H"	3.021828
"1163746"	238.521642666667	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+3H"	3.021828
"424627"	1443.120023	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+NH4"	18.033823
"786551"	2155.663123	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+NH4"	18.033823
"1682152"	730.576923	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+NH4"	18.033823
"332634"	722.0636495	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+H+NH4"	19.041099
"724205"	1078.3351995	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+H+NH4"	19.041099
"1479971"	365.7920995	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H+NH4"	19.041099
"394276"	1448.075418	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+Na"	22.989218
"758554"	2160.618518	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+Na"	22.989218
"1611026"	735.532318	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Na"	22.989218
"318876"	724.541347	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+H+Na"	23.996494
"713483"	1080.812897	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+H+Na"	23.996494
"1474600"	368.269797	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H+Na"	23.996494
"1064930"	245.848956666667	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2H+Na"	25.00377
"1272617"	745.576586	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+CH3OH+H"	33.033486
"392707"	1464.049358	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+K"	38.963158
"749096"	2176.592458	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+K"	38.963158
"1547138"	751.506258	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+K"	38.963158
"304313"	732.528317	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+H+K"	39.970434
"697826"	1088.799867	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+H+K"	39.970434
"1449461"	376.256767	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H+K"	39.970434
"243528"	1467.120026	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+ACN+H"	42.033826
"1221710"	754.576926	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+ACN+H"	42.033826
"1207792"	377.792101	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+ACN+2H"	43.041102
"202118"	1470.05736	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+2Na-H"	44.97116
"639124"	2182.60046	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+2Na-H"	44.97116
"1143364"	757.51426	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2Na-H"	44.97116
"185193"	735.532318	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+2Na"	45.978436
"618919"	1091.803868	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+2Na"	45.978436
"1129718"	379.260768	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2Na"	45.978436
"1400851"	253.176270666667	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H+2Na"	46.985712
"1431750"	759.555846	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H+HCOOH"	47.012746
"222662"	740.56534	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+3H2O+2H"	56.04448
"1509022"	773.60789	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+IsoProp+H"	61.06479
"408747"	743.519288	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+Na+K"	61.952376
"770212"	1099.790838	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+Na+K"	61.952376
"1665907"	387.247738	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Na+K"	61.952376
"251460"	1489.101968	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+ACN+Na"	64.015768
"1226475"	776.558868	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+ACN+Na"	64.015768
"1713663"	776.582393	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+NH4+HCOOH"	64.039293
"1180111"	260.503584666667	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+3Na"	68.967654
"1650488"	781.537788	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Na+HCOOH"	68.994688
"160516"	1502.00524	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+2K-H"	76.91904
"599708"	2214.54834	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+2K-H"	76.91904
"1089329"	789.46214	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2K-H"	76.91904
"156846"	751.506258	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"2M+2K"	77.926316
"593364"	1107.777808	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"3M+2K"	77.926316
"1080074"	395.234708	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2K"	77.926316
"1113647"	791.476692	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2K+H"	78.933592
"1349666"	791.564307	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+DMSO+H"	79.021207
"1018925"	795.603476	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2ACN+H"	83.060376
"1533040"	796.597108	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+IsoProp+Na+H"	84.054008
"1002768"	398.305376	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+2ACN+2H"	84.067652
"1601282"	797.511728	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+K+HCOOH"	84.968628
"1425117"	827.543238	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+H+CF3COOH"	115.000138
"1160874"	418.818651	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+3ACN+2H"	125.094202
"1711516"	844.569785	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+NH4+CF3COOH"	132.026685
"1647166"	849.52518	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+Na+CF3COOH"	136.98208
"1576255"	865.49912	"C05815"	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-14-benzoquinone"	"C48H72O4"	"712.5431"	"M+K+CF3COOH"	152.95602
"806621"	240.0634	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M"	0
"974804"	221.04501	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-H2O-H"	-19.01839
"69496"	159.034990666667	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M-3H"	-3.021828
"503588"	239.056124	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M-3H"	-3.021828
"880203"	79.0138573333333	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-3H"	-3.021828
"202"	239.056124	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M-2H"	-2.014552
"441346"	359.087824	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M-2H"	-2.014552
"818418"	119.024424	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-2H"	-2.014552
"80232"	479.119524	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M-H"	-1.007276
"522709"	719.182924	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M-H"	-1.007276
"901242"	239.056124	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-H"	-1.007276
"51606"	496.146071	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M-2H+NH4"	16.019271
"500645"	736.209471	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M-2H+NH4"	16.019271
"874076"	256.082671	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-2H+NH4"	16.019271
"41978"	501.101466	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M-2H+Na"	20.974666
"483723"	741.164866	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M-2H+Na"	20.974666
"852776"	261.038066	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-2H+Na"	20.974666
"1622311"	261.038066	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Na-2H"	20.974666
"96652"	257.044463	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M-H+Cl"	33.962126
"542774"	377.076163	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M-H+Cl"	33.962126
"927541"	137.012763	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-H+Cl"	33.962126
"270470"	515.096202	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+Cl"	34.969402
"662161"	755.159602	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+Cl"	34.969402
"1277481"	275.032802	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Cl"	34.969402
"23318"	517.075406	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M-2H+K"	36.948606
"461784"	757.138806	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M-2H+K"	36.948606
"835214"	277.012006	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-2H+K"	36.948606
"1561988"	277.012006	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+K-2H"	36.948606
"944400"	285.061594	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-H+HCOOH"	44.998194
"361965"	525.125001	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+HCOOH-H"	44.998201
"345848"	539.140651	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+Hac-H"	59.013851
"1493142"	299.077251	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Hac-H"	59.013851
"958572"	307.043551	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-H+NaCOOH"	66.980151
"111418"	275.032802	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+2Cl"	69.938804
"550369"	395.064502	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+2Cl"	69.938804
"1022322"	155.001102	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2Cl"	69.938804
"1242145"	318.982285	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Br"	78.918885
"1304513"	321.038272	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Cl+HCOOH"	80.974872
"1320756"	343.020229	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Cl+NaCOOH"	102.956829
"916187"	353.048986	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M-H+CF3COOH"	112.985586
"1290710"	389.025664	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Cl+CF3COOH"	148.962264
"1368876"	205.050724	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H-2H2O"	-35.012676
"1382928"	223.0607	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H-H2O"	-17.0027
"284232"	481.134076	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+H"	1.007276
"676665"	721.197476	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+H"	1.007276
"1351675"	241.070676	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H"	1.007276
"131009"	241.070676	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+2H"	2.014552
"565863"	361.102376	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+2H"	2.014552
"1037910"	121.038976	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2H"	2.014552
"205317"	161.049542666667	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+3H"	3.021828
"645239"	241.070676	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+3H"	3.021828
"1164584"	81.0284093333333	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+3H"	3.021828
"425061"	498.160623	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+NH4"	18.033823
"787268"	738.224023	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+NH4"	18.033823
"1682384"	258.097223	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+NH4"	18.033823
"332015"	249.5839495	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+H+NH4"	19.041099
"723011"	369.6156495	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+H+NH4"	19.041099
"1478987"	129.5522495	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H+NH4"	19.041099
"395479"	503.116018	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+Na"	22.989218
"757571"	743.179418	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+Na"	22.989218
"1607856"	263.052618	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Na"	22.989218
"318986"	252.061647	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+H+Na"	23.996494
"714687"	372.093347	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+H+Na"	23.996494
"1474346"	132.029947	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H+Na"	23.996494
"1063582"	88.3557233333333	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2H+Na"	25.00377
"1272638"	273.096886	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+CH3OH+H"	33.033486
"391494"	519.089958	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+K"	38.963158
"750299"	759.153358	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+K"	38.963158
"1546154"	279.026558	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+K"	38.963158
"302235"	260.048617	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+H+K"	39.970434
"697936"	380.080317	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+H+K"	39.970434
"1451757"	140.016917	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H+K"	39.970434
"245827"	522.160626	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+ACN+H"	42.033826
"1219633"	282.097226	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+ACN+H"	42.033826
"1205715"	141.552251	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+ACN+2H"	43.041102
"201498"	525.09796	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+2Na-H"	44.97116
"640327"	765.16136	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+2Na-H"	44.97116
"1141652"	285.03456	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2Na-H"	44.97116
"184941"	263.052618	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+2Na"	45.978436
"619029"	383.084318	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+2Na"	45.978436
"1128006"	143.020918	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2Na"	45.978436
"1400961"	95.6830373333333	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H+2Na"	46.985712
"1431374"	287.076146	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H+HCOOH"	47.012746
"220702"	268.08564	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+3H2O+2H"	56.04448
"1508592"	301.12819	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+IsoProp+H"	61.06479
"408802"	271.039588	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+Na+K"	61.952376
"771025"	391.071288	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+Na+K"	61.952376
"1667114"	151.007888	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Na+K"	61.952376
"251933"	544.142568	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+ACN+Na"	64.015768
"1225894"	304.079168	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+ACN+Na"	64.015768
"1713530"	304.102693	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+NH4+HCOOH"	64.039293
"1180221"	103.010351333333	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+3Na"	68.967654
"1651208"	309.058088	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Na+HCOOH"	68.994688
"159898"	557.04584	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+2K-H"	76.91904
"599454"	797.10924	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+2K-H"	76.91904
"1089439"	316.98244	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2K-H"	76.91904
"155617"	279.026558	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"2M+2K"	77.926316
"594568"	399.058258	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"3M+2K"	77.926316
"1082734"	158.994858	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2K"	77.926316
"1113390"	318.996992	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2K+H"	78.933592
"1350626"	319.084607	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+DMSO+H"	79.021207
"1016850"	323.123776	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2ACN+H"	83.060376
"1534242"	324.117408	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+IsoProp+Na+H"	84.054008
"1002878"	162.065526	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+2ACN+2H"	84.067652
"1601514"	325.032028	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+K+HCOOH"	84.968628
"1426321"	355.063538	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+H+CF3COOH"	115.000138
"1160984"	182.578801	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+3ACN+2H"	125.094202
"1712518"	372.090085	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+NH4+CF3COOH"	132.026685
"1648369"	377.04548	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+Na+CF3COOH"	136.98208
"1576365"	393.01942	"C05817"	"(1R6R)-6-Hydroxy-2-succinylcyclohexa-24-diene-1-carboxylate;(1R6R)-2-Succinyl-6-hydroxy-24-cyclohexadiene-1-carboxylate;SHCHC"	"C11H12O6"	"240.0634"	"M+K+CF3COOH"	152.95602
"806736"	434.0951	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M"	0
"980269"	415.07671	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-H2O-H"	-19.01839
"66325"	288.389457333333	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M-3H"	-3.021828
"504791"	433.087824	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M-3H"	-3.021828
"880640"	143.691090666667	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-3H"	-3.021828
"388"	433.087824	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M-2H"	-2.014552
"440394"	650.135374	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M-2H"	-2.014552
"817676"	216.040274	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-2H"	-2.014552
"80708"	867.182924	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M-H"	-1.007276
"530112"	1301.278024	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M-H"	-1.007276
"907553"	433.087824	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-H"	-1.007276
"56824"	884.209471	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M-2H+NH4"	16.019271
"497116"	1318.304571	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M-2H+NH4"	16.019271
"872001"	450.114371	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-2H+NH4"	16.019271
"36620"	889.164866	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M-2H+Na"	20.974666
"477273"	1323.259966	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M-2H+Na"	20.974666
"852888"	455.069766	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-2H+Na"	20.974666
"1625702"	455.069766	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Na-2H"	20.974666
"102232"	451.076163	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M-H+Cl"	33.962126
"542885"	668.123713	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M-H+Cl"	33.962126
"933119"	234.028613	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-H+Cl"	33.962126
"269123"	903.159602	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+Cl"	34.969402
"664096"	1337.254702	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+Cl"	34.969402
"1277592"	469.064502	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Cl"	34.969402
"23429"	905.138806	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M-2H+K"	36.948606
"457526"	1339.233906	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M-2H+K"	36.948606
"836422"	471.043706	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-2H+K"	36.948606
"1555817"	471.043706	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+K-2H"	36.948606
"943903"	479.093294	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-H+HCOOH"	44.998194
"361461"	913.188401	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+HCOOH-H"	44.998201
"346482"	927.204051	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+Hac-H"	59.013851
"1493127"	493.108951	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Hac-H"	59.013851
"961895"	501.075251	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-H+NaCOOH"	66.980151
"115178"	469.064502	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+2Cl"	69.938804
"554735"	686.112052	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+2Cl"	69.938804
"1023901"	252.016952	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2Cl"	69.938804
"1242628"	513.013985	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Br"	78.918885
"1305317"	515.069972	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Cl+HCOOH"	80.974872
"1320176"	537.051929	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Cl+NaCOOH"	102.956829
"911922"	547.080686	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M-H+CF3COOH"	112.985586
"1288761"	583.057364	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Cl+CF3COOH"	148.962264
"1368990"	399.082424	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H-2H2O"	-35.012676
"1384665"	417.0924	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H-H2O"	-17.0027
"285452"	869.197476	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+H"	1.007276
"676125"	1303.292576	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+H"	1.007276
"1353128"	435.102376	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H"	1.007276
"127843"	435.102376	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+2H"	2.014552
"566546"	652.149926	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+2H"	2.014552
"1037530"	218.054826	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2H"	2.014552
"205799"	290.404009333333	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+3H"	3.021828
"646211"	435.102376	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+3H"	3.021828
"1164098"	145.705642666667	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+3H"	3.021828
"427248"	886.224023	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+NH4"	18.033823
"789338"	1320.319123	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+NH4"	18.033823
"1681899"	452.128923	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+NH4"	18.033823
"331763"	443.6156495	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+H+NH4"	19.041099
"728559"	660.6631995	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+H+NH4"	19.041099
"1477675"	226.5680995	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H+NH4"	19.041099
"404342"	891.179418	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+Na"	22.989218
"764243"	1325.274518	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+Na"	22.989218
"1610154"	457.084318	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Na"	22.989218
"327117"	446.093347	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+H+Na"	23.996494
"720273"	663.140897	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+H+Na"	23.996494
"1476409"	229.045797	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H+Na"	23.996494
"1068197"	153.032956666667	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2H+Na"	25.00377
"1271329"	467.128586	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+CH3OH+H"	33.033486
"391601"	907.153358	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+K"	38.963158
"752232"	1341.248458	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+K"	38.963158
"1551733"	473.058258	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+K"	38.963158
"308910"	454.080317	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+H+K"	39.970434
"700965"	671.127867	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+H+K"	39.970434
"1457339"	237.032767	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H+K"	39.970434
"247770"	910.224026	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+ACN+H"	42.033826
"1219752"	476.128926	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+ACN+H"	42.033826
"1206188"	238.568101	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+ACN+2H"	43.041102
"199788"	913.16136	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+2Na-H"	44.97116
"638256"	1347.25646	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+2Na-H"	44.97116
"1141762"	479.06626	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2Na-H"	44.97116
"181770"	457.084318	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+2Na"	45.978436
"616229"	674.131868	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+2Na"	45.978436
"1117666"	240.036768	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2Na"	45.978436
"1405083"	160.360270666667	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H+2Na"	46.985712
"1430391"	481.107846	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H+HCOOH"	47.012746
"220038"	462.11734	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+3H2O+2H"	56.04448
"1509118"	495.15989	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+IsoProp+H"	61.06479
"408967"	465.071288	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+Na+K"	61.952376
"770039"	682.118838	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+Na+K"	61.952376
"1665640"	248.023738	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Na+K"	61.952376
"251425"	932.205968	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+ACN+Na"	64.015768
"1226093"	498.110868	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+ACN+Na"	64.015768
"1713643"	498.134393	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+NH4+HCOOH"	64.039293
"1180699"	167.687584666667	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+3Na"	68.967654
"1659709"	503.089788	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Na+HCOOH"	68.994688
"161103"	945.10924	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+2K-H"	76.91904
"611600"	1379.20434	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+2K-H"	76.91904
"1098180"	511.01414	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2K-H"	76.91904
"155971"	473.058258	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"2M+2K"	77.926316
"595051"	690.105808	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"3M+2K"	77.926316
"1081385"	256.010708	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2K"	77.926316
"1114226"	513.028692	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2K+H"	78.933592
"1348429"	513.116307	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+DMSO+H"	79.021207
"1008575"	517.155476	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2ACN+H"	83.060376
"1527794"	518.149108	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+IsoProp+Na+H"	84.054008
"1000802"	259.081376	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+2ACN+2H"	84.067652
"1592025"	519.063728	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+K+HCOOH"	84.968628
"1426431"	549.095238	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+H+CF3COOH"	115.000138
"1162593"	279.594651	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+3ACN+2H"	125.094202
"1711737"	566.121785	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+NH4+CF3COOH"	132.026685
"1645199"	571.07718	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+Na+CF3COOH"	136.98208
"1586317"	587.05112	"C05820"	"(L-Seryl)adenylate;L-Seryl-adenylate"	"C13H19N6O9P"	"434.0951"	"M+K+CF3COOH"	152.95602
"806846"	669.1442	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M"	0
"980379"	650.12581	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-H2O-H"	-19.01839
"63880"	445.088857333333	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M-3H"	-3.021828
"504899"	668.136924	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M-3H"	-3.021828
"881241"	222.040790666667	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-3H"	-3.021828
"1393"	668.136924	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M-2H"	-2.014552
"441198"	1002.709024	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M-2H"	-2.014552
"819002"	333.564824	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-2H"	-2.014552
"81181"	1337.281124	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M-H"	-1.007276
"524753"	2006.425324	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M-H"	-1.007276
"904743"	668.136924	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-H"	-1.007276
"54743"	1354.307671	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M-2H+NH4"	16.019271
"494311"	2023.451871	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M-2H+NH4"	16.019271
"873205"	685.163471	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-2H+NH4"	16.019271
"36730"	1359.263066	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M-2H+Na"	20.974666
"480663"	2028.407266	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M-2H+Na"	20.974666
"855185"	690.118866	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-2H+Na"	20.974666
"1625812"	690.118866	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Na-2H"	20.974666
"105622"	686.125263	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M-H+Cl"	33.962126
"542995"	1020.697363	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M-H+Cl"	33.962126
"934322"	351.553163	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-H+Cl"	33.962126
"272878"	1373.257802	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+Cl"	34.969402
"663477"	2042.402002	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+Cl"	34.969402
"1280985"	704.113602	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Cl"	34.969402
"23539"	1375.237006	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M-2H+K"	36.948606
"464197"	2044.381206	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M-2H+K"	36.948606
"837624"	706.092806	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-2H+K"	36.948606
"1557832"	706.092806	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+K-2H"	36.948606
"944254"	714.142394	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-H+HCOOH"	44.998194
"361859"	1383.286601	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+HCOOH-H"	44.998201
"346102"	1397.302251	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+Hac-H"	59.013851
"1493721"	728.158051	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Hac-H"	59.013851
"960912"	736.124351	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-H+NaCOOH"	66.980151
"115652"	704.113602	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+2Cl"	69.938804
"553387"	1038.685702	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+2Cl"	69.938804
"1024010"	369.541502	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2Cl"	69.938804
"1243953"	748.063085	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Br"	78.918885
"1305063"	750.119072	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Cl+HCOOH"	80.974872
"1320163"	772.101029	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Cl+NaCOOH"	102.956829
"911546"	782.129786	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M-H+CF3COOH"	112.985586
"1288900"	818.106464	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Cl+CF3COOH"	148.962264
"1369828"	634.131524	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H-2H2O"	-35.012676
"1385502"	652.1415	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H-H2O"	-17.0027
"285562"	1339.295676	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+H"	1.007276
"676521"	2008.439876	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+H"	1.007276
"1352874"	670.151476	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H"	1.007276
"129046"	670.151476	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+2H"	2.014552
"567512"	1004.723576	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+2H"	2.014552
"1038007"	335.579376	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2H"	2.014552
"205667"	447.103409333333	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+3H"	3.021828
"646686"	670.151476	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+3H"	3.021828
"1166272"	224.055342666667	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+3H"	3.021828
"430637"	1356.322223	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+NH4"	18.033823
"790541"	2025.466423	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+NH4"	18.033823
"1683226"	687.178023	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+NH4"	18.033823
"330655"	678.6647495	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+H+NH4"	19.041099
"725388"	1013.2368495	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+H+NH4"	19.041099
"1478841"	344.0926495	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H+NH4"	19.041099
"398984"	1361.277618	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+Na"	22.989218
"754629"	2030.421818	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+Na"	22.989218
"1603577"	692.133418	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Na"	22.989218
"322487"	681.142447	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+H+Na"	23.996494
"716002"	1015.714547	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+H+Na"	23.996494
"1462042"	346.570347	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H+Na"	23.996494
"1067581"	231.382656666667	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2H+Na"	25.00377
"1270952"	702.177686	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+CH3OH+H"	33.033486
"391712"	1377.251558	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+K"	38.963158
"753071"	2046.395758	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+K"	38.963158
"1554394"	708.107358	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+K"	38.963158
"313029"	689.129417	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+H+K"	39.970434
"701439"	1023.701517	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+H+K"	39.970434
"1457449"	354.557317	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H+K"	39.970434
"249702"	1380.322226	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+ACN+H"	42.033826
"1220594"	711.178026	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+ACN+H"	42.033826
"1204476"	356.092651	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+ACN+2H"	43.041102
"202450"	1383.25956	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+2Na-H"	44.97116
"642740"	2052.40376	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+2Na-H"	44.97116
"1144792"	714.11536	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2Na-H"	44.97116
"186742"	692.133418	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+2Na"	45.978436
"625086"	1026.705518	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+2Na"	45.978436
"1119479"	357.561318	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2Na"	45.978436
"1405193"	238.709970666667	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H+2Na"	46.985712
"1432932"	716.156946	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H+HCOOH"	47.012746
"220682"	697.16644	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+3H2O+2H"	56.04448
"1510690"	730.20899	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+IsoProp+H"	61.06479
"410741"	700.120388	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+Na+K"	61.952376
"770318"	1034.692488	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+Na+K"	61.952376
"1665917"	365.548288	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Na+K"	61.952376
"251554"	1402.304168	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+ACN+Na"	64.015768
"1228026"	733.159968	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+ACN+Na"	64.015768
"1718007"	733.183493	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+NH4+HCOOH"	64.039293
"1181175"	246.037284666667	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+3Na"	68.967654
"1663099"	738.138888	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Na+HCOOH"	68.994688
"166680"	1415.20744	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+2K-H"	76.91904
"611835"	2084.35164	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+2K-H"	76.91904
"1097683"	746.06324	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2K-H"	76.91904
"154139"	708.107358	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"2M+2K"	77.926316
"591881"	1042.679458	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"3M+2K"	77.926316
"1078213"	373.535258	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2K"	77.926316
"1113123"	748.077792	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2K+H"	78.933592
"1345258"	748.165407	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+DMSO+H"	79.021207
"1013058"	752.204576	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2ACN+H"	83.060376
"1526810"	753.198208	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+IsoProp+Na+H"	84.054008
"996538"	376.605926	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+2ACN+2H"	84.067652
"1594322"	754.112828	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+K+HCOOH"	84.968628
"1426541"	784.144338	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+H+CF3COOH"	115.000138
"1162296"	397.119201	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+3ACN+2H"	125.094202
"1711848"	801.170885	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+NH4+CF3COOH"	132.026685
"1642029"	806.12628	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+Na+CF3COOH"	136.98208
"1586427"	822.10022	"C05821"	"Enterochelin;Enterobactin;Tri-(23-dihydroxy-N-benzoyl-L-serine)-ester;Tri-(N-(23-dihydroxybenzoyl)-L-serine)-ester"	"C30H27N3O15"	"669.1442"	"M+K+CF3COOH"	152.95602
"810236"	323.0519	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M"	0
"983769"	304.03351	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-H2O-H"	-19.01839
"64358"	214.360657333333	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M-3H"	-3.021828
"504645"	322.044624	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M-3H"	-3.021828
"881350"	106.676690666667	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-3H"	-3.021828
"1384"	322.044624	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H"	-2.014552
"440700"	483.570574	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H"	-2.014552
"818138"	160.518674	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-2H"	-2.014552
"79469"	645.096524	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M-H"	-1.007276
"523771"	968.148424	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M-H"	-1.007276
"904853"	322.044624	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-H"	-1.007276
"54853"	662.123071	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H+NH4"	16.019271
"495515"	985.174971	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H+NH4"	16.019271
"872221"	339.071171	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-2H+NH4"	16.019271
"37933"	667.078466	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H+Na"	20.974666
"477493"	990.130366	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H+Na"	20.974666
"854199"	344.026566	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-2H+Na"	20.974666
"1622640"	344.026566	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Na-2H"	20.974666
"102451"	340.032963	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M-H+Cl"	33.962126
"538730"	501.558913	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M-H+Cl"	33.962126
"934432"	178.507013	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-H+Cl"	33.962126
"271165"	681.073202	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+Cl"	34.969402
"667595"	1004.125102	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+Cl"	34.969402
"1282189"	358.021302	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl"	34.969402
"28023"	683.052406	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M-2H+K"	36.948606
"462120"	1006.104306	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M-2H+K"	36.948606
"835912"	360.000506	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-2H+K"	36.948606
"1559760"	360.000506	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+K-2H"	36.948606
"944728"	368.050094	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-H+HCOOH"	44.998194
"362820"	691.102001	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+HCOOH-H"	44.998201
"346581"	705.117651	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+Hac-H"	59.013851
"1494564"	382.065751	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Hac-H"	59.013851
"961384"	390.032051	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-H+NaCOOH"	66.980151
"113211"	358.021302	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+2Cl"	69.938804
"552404"	519.547252	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+2Cl"	69.938804
"1022662"	196.495352	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2Cl"	69.938804
"1242357"	401.970785	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Br"	78.918885
"1304929"	404.026772	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl+HCOOH"	80.974872
"1321453"	426.008729	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl+NaCOOH"	102.956829
"912266"	436.037486	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M-H+CF3COOH"	112.985586
"1289337"	472.014164	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Cl+CF3COOH"	148.962264
"1368843"	288.039224	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H-2H2O"	-35.012676
"1385248"	306.0492	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H-H2O"	-17.0027
"284572"	647.111076	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+H"	1.007276
"676267"	970.162976	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+H"	1.007276
"1352620"	324.059176	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H"	1.007276
"129520"	324.059176	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+2H"	2.014552
"568714"	485.585126	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+2H"	2.014552
"1037875"	162.533226	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2H"	2.014552
"205777"	216.375209333333	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+3H"	3.021828
"647162"	324.059176	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+3H"	3.021828
"1165289"	108.691242666667	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+3H"	3.021828
"429654"	664.137623	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+NH4"	18.033823
"790651"	987.189523	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+NH4"	18.033823
"1681876"	341.085723	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+NH4"	18.033823
"330523"	332.5724495	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+H+NH4"	19.041099
"723673"	494.0983995	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+H+NH4"	19.041099
"1478225"	171.0464995	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H+NH4"	19.041099
"398001"	669.093018	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+Na"	22.989218
"754860"	992.144918	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+Na"	22.989218
"1604174"	346.041118	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Na"	22.989218
"321504"	335.050147	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+H+Na"	23.996494
"715019"	496.576097	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+H+Na"	23.996494
"1462641"	173.524197	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H+Na"	23.996494
"1064273"	116.018556666667	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2H+Na"	25.00377
"1269239"	356.085386	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+CH3OH+H"	33.033486
"390725"	685.066958	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+K"	38.963158
"750991"	1008.118858	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+K"	38.963158
"1553775"	362.015058	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+K"	38.963158
"313138"	343.037117	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+H+K"	39.970434
"701549"	504.563067	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+H+K"	39.970434
"1455373"	181.511167	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H+K"	39.970434
"249447"	688.137626	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+ACN+H"	42.033826
"1221434"	365.085726	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+ACN+H"	42.033826
"1207502"	183.046501	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+ACN+2H"	43.041102
"202075"	691.07496	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+2Na-H"	44.97116
"642607"	1014.12686	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+2Na-H"	44.97116
"1143077"	368.02306	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2Na-H"	44.97116
"186000"	346.041118	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+2Na"	45.978436
"624467"	507.567068	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+2Na"	45.978436
"1120682"	184.515168	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2Na"	45.978436
"1401657"	123.345870666667	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H+2Na"	46.985712
"1430853"	370.064646	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H+HCOOH"	47.012746
"220671"	351.07414	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+3H2O+2H"	56.04448
"1508854"	384.11669	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+IsoProp+H"	61.06479
"408778"	354.028088	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+Na+K"	61.952376
"770508"	515.554038	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+Na+K"	61.952376
"1666712"	192.502138	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Na+K"	61.952376
"251695"	710.119568	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+ACN+Na"	64.015768
"1226311"	387.067668	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+ACN+Na"	64.015768
"1713742"	387.091193	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+NH4+HCOOH"	64.039293
"1180189"	130.673184666667	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+3Na"	68.967654
"1655553"	392.046588	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Na+HCOOH"	68.994688
"166790"	723.02284	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+2K-H"	76.91904
"600882"	1046.07474	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+2K-H"	76.91904
"1097429"	399.97094	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2K-H"	76.91904
"154245"	362.015058	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"2M+2K"	77.926316
"592354"	523.541008	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"3M+2K"	77.926316
"1080510"	200.489108	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2K"	77.926316
"1113356"	401.985492	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2K+H"	78.933592
"1344277"	402.073107	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+DMSO+H"	79.021207
"1014262"	406.112276	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2ACN+H"	83.060376
"1530201"	407.105908	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+IsoProp+Na+H"	84.054008
"996648"	203.559776	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+2ACN+2H"	84.067652
"1596619"	408.020528	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+K+HCOOH"	84.968628
"1425558"	438.052038	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+H+CF3COOH"	115.000138
"1161312"	224.073051	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+3ACN+2H"	125.094202
"1712204"	455.078585	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+NH4+CF3COOH"	132.026685
"1645419"	460.03398	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+Na+CF3COOH"	136.98208
"1586537"	476.00792	"C05822"	"3-CMP;Cytidine 3-phosphate"	"C9H14N3O8P"	"323.0519"	"M+K+CF3COOH"	152.95602
"807065"	122.0038	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M"	0
"987159"	102.98541	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-H2O-H"	-19.01839
"64468"	80.3285906666667	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M-3H"	-3.021828
"504025"	120.996524	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M-3H"	-3.021828
"881091"	39.6606573333333	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-3H"	-3.021828
"1370"	120.996524	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M-2H"	-2.014552
"441174"	181.998424	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M-2H"	-2.014552
"818492"	59.994624	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-2H"	-2.014552
"79818"	243.000324	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M-H"	-1.007276
"524973"	365.004124	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M-H"	-1.007276
"904963"	120.996524	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-H"	-1.007276
"51683"	260.026871	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M-2H+NH4"	16.019271
"493438"	382.030671	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M-2H+NH4"	16.019271
"874515"	138.023071	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-2H+NH4"	16.019271
"33669"	264.982266	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M-2H+Na"	20.974666
"476509"	386.986066	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M-2H+Na"	20.974666
"852123"	142.978466	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-2H+Na"	20.974666
"1620563"	142.978466	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Na-2H"	20.974666
"95994"	138.984863	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M-H+Cl"	33.962126
"537011"	199.986763	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M-H+Cl"	33.962126
"929438"	77.982963	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-H+Cl"	33.962126
"269085"	278.977002	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+Cl"	34.969402
"662238"	400.980802	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+Cl"	34.969402
"1279017"	156.973202	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Cl"	34.969402
"19386"	280.956206	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M-2H+K"	36.948606
"462230"	402.960006	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M-2H+K"	36.948606
"836022"	158.952406	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-2H+K"	36.948606
"1555982"	158.952406	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+K-2H"	36.948606
"943256"	167.001994	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-H+HCOOH"	44.998194
"361791"	289.005801	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+HCOOH-H"	44.998201
"345773"	303.021451	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+Hac-H"	59.013851
"1493095"	181.017651	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Hac-H"	59.013851
"962222"	188.983951	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-H+NaCOOH"	66.980151
"113319"	156.973202	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+2Cl"	69.938804
"552513"	217.975102	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+2Cl"	69.938804
"1024230"	95.971302	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2Cl"	69.938804
"1242105"	200.922685	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Br"	78.918885
"1304917"	202.978672	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Cl+HCOOH"	80.974872
"1320346"	224.960629	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Cl+NaCOOH"	102.956829
"911564"	234.989386	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M-H+CF3COOH"	112.985586
"1288763"	270.966064	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Cl+CF3COOH"	148.962264
"1367372"	86.991124	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H-2H2O"	-35.012676
"1384264"	105.0011	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H-H2O"	-17.0027
"286140"	245.014876	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+H"	1.007276
"677100"	367.018676	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+H"	1.007276
"1353085"	123.011076	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H"	1.007276
"126097"	123.011076	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+2H"	2.014552
"567481"	184.012976	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+2H"	2.014552
"1037612"	62.009176	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2H"	2.014552
"204663"	82.3431426666667	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+3H"	3.021828
"645438"	123.011076	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+3H"	3.021828
"1167578"	41.6752093333333	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+3H"	3.021828
"425748"	262.041423	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+NH4"	18.033823
"791852"	384.045223	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+NH4"	18.033823
"1683203"	140.037623	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+NH4"	18.033823
"330752"	131.5243495	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+H+NH4"	19.041099
"723174"	192.5262495	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+H+NH4"	19.041099
"1479424"	70.5224495	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H+NH4"	19.041099
"398111"	266.996818	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+Na"	22.989218
"754849"	389.000618	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+Na"	22.989218
"1604042"	144.993018	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Na"	22.989218
"320520"	134.002047	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+H+Na"	23.996494
"716222"	195.003947	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+H+Na"	23.996494
"1462872"	73.000147	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H+Na"	23.996494
"1060010"	49.0025233333333	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2H+Na"	25.00377
"1270439"	155.037286	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+CH3OH+H"	33.033486
"386826"	282.970758	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+K"	38.963158
"750008"	404.974558	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+K"	38.963158
"1548783"	160.966958	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+K"	38.963158
"311426"	141.989017	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+H+K"	39.970434
"700566"	202.990917	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+H+K"	39.970434
"1456576"	80.987117	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H+K"	39.970434
"249921"	286.041426	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+ACN+H"	42.033826
"1224461"	164.037626	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+ACN+H"	42.033826
"1208343"	82.522451	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+ACN+2H"	43.041102
"202670"	288.97876	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+2Na-H"	44.97116
"643322"	410.98256	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+2Na-H"	44.97116
"1143187"	166.97496	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2Na-H"	44.97116
"186474"	144.993018	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+2Na"	45.978436
"625670"	205.994918	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+2Na"	45.978436
"1120792"	83.991118	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2Na"	45.978436
"1402496"	56.3298373333333	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H+2Na"	46.985712
"1431693"	169.016546	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H+HCOOH"	47.012746
"220900"	150.02604	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+3H2O+2H"	56.04448
"1512368"	183.06859	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+IsoProp+H"	61.06479
"409623"	152.979988	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+Na+K"	61.952376
"771222"	213.981888	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+Na+K"	61.952376
"1667064"	91.978088	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Na+K"	61.952376
"253221"	308.023368	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+ACN+Na"	64.015768
"1229334"	186.019568	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+ACN+Na"	64.015768
"1715672"	186.043093	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+NH4+HCOOH"	64.039293
"1181026"	63.6571513333333	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+3Na"	68.967654
"1656756"	190.998488	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Na+HCOOH"	68.994688
"164713"	320.92664	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+2K-H"	76.91904
"604271"	442.93044	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+2K-H"	76.91904
"1089879"	198.92284	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2K-H"	76.91904
"156054"	160.966958	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"2M+2K"	77.926316
"592464"	221.968858	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"3M+2K"	77.926316
"1079528"	99.965058	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2K"	77.926316
"1113465"	200.937392	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2K+H"	78.933592
"1344751"	201.025007	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+DMSO+H"	79.021207
"1013279"	205.064176	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2ACN+H"	83.060376
"1530310"	206.057808	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+IsoProp+Na+H"	84.054008
"996758"	103.035726	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+2ACN+2H"	84.067652
"1592355"	206.972428	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+K+HCOOH"	84.968628
"1425668"	237.003938	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+H+CF3COOH"	115.000138
"1159235"	123.549001	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+3ACN+2H"	125.094202
"1712314"	254.030485	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+NH4+CF3COOH"	132.026685
"1642249"	258.98588	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+Na+CF3COOH"	136.98208
"1586647"	274.95982	"C05823"	"3-Mercaptolactate;L-3-Mercaptolactate;(R)-3-Mercaptolactate"	"C3H6O3S"	"122.0038"	"M+K+CF3COOH"	152.95602
"807175"	200.9766	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M"	0
"987269"	181.95821	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-H2O-H"	-19.01839
"65670"	132.977124	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M-3H"	-3.021828
"507051"	199.969324	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M-3H"	-3.021828
"879997"	65.984924	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-3H"	-3.021828
"632"	199.969324	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M-2H"	-2.014552
"441165"	300.457624	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M-2H"	-2.014552
"818969"	99.481024	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-2H"	-2.014552
"78789"	400.945924	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M-H"	-1.007276
"529457"	601.922524	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M-H"	-1.007276
"900698"	199.969324	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-H"	-1.007276
"53980"	417.972471	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M-2H+NH4"	16.019271
"494640"	618.949071	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M-2H+NH4"	16.019271
"869158"	216.995871	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-2H+NH4"	16.019271
"33779"	422.927866	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M-2H+Na"	20.974666
"478806"	623.904466	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M-2H+Na"	20.974666
"853327"	221.951266	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-2H+Na"	20.974666
"1622860"	221.951266	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Na-2H"	20.974666
"95743"	217.957663	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M-H+Cl"	33.962126
"538946"	318.445963	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M-H+Cl"	33.962126
"931371"	117.469363	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-H+Cl"	33.962126
"272113"	436.922602	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+Cl"	34.969402
"664535"	637.899202	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+Cl"	34.969402
"1282411"	235.946002	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Cl"	34.969402
"24964"	438.901806	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M-2H+K"	36.948606
"466715"	639.878406	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M-2H+K"	36.948606
"835768"	237.925206	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-2H+K"	36.948606
"1559254"	237.925206	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+K-2H"	36.948606
"942817"	245.974794	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-H+HCOOH"	44.998194
"361652"	446.951401	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+HCOOH-H"	44.998201
"347047"	460.967051	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+Hac-H"	59.013851
"1493814"	259.990451	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Hac-H"	59.013851
"961602"	267.956751	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-H+NaCOOH"	66.980151
"110385"	235.946002	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+2Cl"	69.938804
"552988"	336.434302	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+2Cl"	69.938804
"1023975"	135.457702	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2Cl"	69.938804
"1242461"	279.895485	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Br"	78.918885
"1304419"	281.951472	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Cl+HCOOH"	80.974872
"1320339"	303.933429	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Cl+NaCOOH"	102.956829
"913100"	313.962186	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M-H+CF3COOH"	112.985586
"1293090"	349.938864	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Cl+CF3COOH"	148.962264
"1369794"	165.963924	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H-2H2O"	-35.012676
"1386197"	183.9739	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H-H2O"	-17.0027
"290990"	402.960476	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+H"	1.007276
"683412"	603.937076	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+H"	1.007276
"1358666"	201.983876	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H"	1.007276
"127547"	201.983876	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+2H"	2.014552
"566746"	302.472176	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+2H"	2.014552
"1038823"	101.495576	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2H"	2.014552
"205385"	134.991676	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+3H"	3.021828
"647372"	201.983876	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+3H"	3.021828
"1166595"	67.999476	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+3H"	3.021828
"424479"	419.987023	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+NH4"	18.033823
"791963"	620.963623	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+NH4"	18.033823
"1683922"	219.010423	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+NH4"	18.033823
"330010"	210.4971495	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+H+NH4"	19.041099
"724013"	310.9854495	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+H+NH4"	19.041099
"1479292"	110.0088495	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H+NH4"	19.041099
"401501"	424.942418	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+Na"	22.989218
"755080"	625.919018	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+Na"	22.989218
"1605366"	223.965818	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Na"	22.989218
"319537"	212.974847	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+H+Na"	23.996494
"715239"	313.463147	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+H+Na"	23.996494
"1463590"	112.486547	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H+Na"	23.996494
"1061213"	75.32679	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2H+Na"	25.00377
"1270549"	234.010086	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+CH3OH+H"	33.033486
"386936"	440.916358	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+K"	38.963158
"747931"	641.892958	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+K"	38.963158
"1548893"	239.939758	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+K"	38.963158
"310443"	220.961817	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+H+K"	39.970434
"700676"	321.450117	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+H+K"	39.970434
"1458872"	120.473517	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H+K"	39.970434
"248940"	443.987026	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+ACN+H"	42.033826
"1222749"	243.010426	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+ACN+H"	42.033826
"1208817"	122.008851	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+ACN+2H"	43.041102
"202905"	446.92436	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+2Na-H"	44.97116
"643677"	647.90096	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+2Na-H"	44.97116
"1145847"	245.94776	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2Na-H"	44.97116
"188041"	223.965818	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+2Na"	45.978436
"625780"	324.454118	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+2Na"	45.978436
"1127464"	123.477518	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2Na"	45.978436
"1407709"	82.654104	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H+2Na"	46.985712
"1433263"	247.989346	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H+HCOOH"	47.012746
"221377"	228.99884	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+3H2O+2H"	56.04448
"1512115"	262.04139	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+IsoProp+H"	61.06479
"409857"	231.952788	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+Na+K"	61.952376
"770969"	332.441088	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+Na+K"	61.952376
"1667301"	131.464488	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Na+K"	61.952376
"253091"	465.968968	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+ACN+Na"	64.015768
"1231635"	264.992368	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+ACN+Na"	64.015768
"1715055"	265.015893	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+NH4+HCOOH"	64.039293
"1181504"	89.981418	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+3Na"	68.967654
"1655772"	269.971288	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Na+HCOOH"	68.994688
"168103"	478.87224	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+2K-H"	76.91904
"605475"	679.84884	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+2K-H"	76.91904
"1094363"	277.89564	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2K-H"	76.91904
"155555"	239.939758	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"2M+2K"	77.926316
"591845"	340.428058	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"3M+2K"	77.926316
"1079636"	139.451458	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2K"	77.926316
"1112480"	279.910192	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2K+H"	78.933592
"1344861"	279.997807	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+DMSO+H"	79.021207
"1007921"	284.036976	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2ACN+H"	83.060376
"1530420"	285.030608	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+IsoProp+Na+H"	84.054008
"995775"	142.522126	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+2ACN+2H"	84.067652
"1592465"	285.945228	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+K+HCOOH"	84.968628
"1422498"	315.976738	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+H+CF3COOH"	115.000138
"1160074"	163.035401	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+3ACN+2H"	125.094202
"1712178"	333.003285	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+NH4+CF3COOH"	132.026685
"1642359"	337.95868	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+Na+CF3COOH"	136.98208
"1586757"	353.93262	"C05824"	"S-Sulfo-L-cysteine"	"C3H7NO5S2"	"200.9766"	"M+K+CF3COOH"	152.95602
"807285"	145.0739	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M"	0
"987379"	126.05551	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H2O-H"	-19.01839
"65416"	95.7086573333333	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-3H"	-3.021828
"505704"	144.066624	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-3H"	-3.021828
"879992"	47.3506906666667	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-3H"	-3.021828
"59"	144.066624	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H"	-2.014552
"441276"	216.603574	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H"	-2.014552
"817498"	71.529674	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H"	-2.014552
"78602"	289.140524	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-H"	-1.007276
"522277"	434.214424	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-H"	-1.007276
"897527"	144.066624	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H"	-1.007276
"47647"	306.167071	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+NH4"	16.019271
"495842"	451.240971	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+NH4"	16.019271
"865622"	161.093171	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+NH4"	16.019271
"33160"	311.122466	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+Na"	20.974666
"475635"	456.196366	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+Na"	20.974666
"851249"	166.048566	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+Na"	20.974666
"1620783"	166.048566	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na-2H"	20.974666
"95122"	162.054963	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-H+Cl"	33.962126
"535776"	234.591913	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-H+Cl"	33.962126
"931480"	89.518013	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+Cl"	33.962126
"271130"	325.117202	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Cl"	34.969402
"665738"	470.191102	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Cl"	34.969402
"1275956"	180.043302	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl"	34.969402
"20700"	327.096406	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M-2H+K"	36.948606
"460261"	472.170306	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M-2H+K"	36.948606
"835878"	182.022506	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-2H+K"	36.948606
"1557540"	182.022506	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K-2H"	36.948606
"944694"	190.072094	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+HCOOH"	44.998194
"362910"	335.146001	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+HCOOH-H"	44.998201
"348617"	349.161651	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Hac-H"	59.013851
"1493802"	204.087751	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Hac-H"	59.013851
"960254"	212.054051	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+NaCOOH"	66.980151
"110617"	180.043302	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Cl"	69.938804
"552731"	252.580252	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Cl"	69.938804
"1023356"	107.506352	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Cl"	69.938804
"1241558"	223.992785	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Br"	78.918885
"1304891"	226.048772	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+HCOOH"	80.974872
"1320446"	248.030729	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+NaCOOH"	102.956829
"915033"	258.059486	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M-H+CF3COOH"	112.985586
"1291743"	294.036164	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Cl+CF3COOH"	148.962264
"1369176"	110.061224	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H-2H2O"	-35.012676
"1388131"	128.0712	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H-H2O"	-17.0027
"291101"	291.155076	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H"	1.007276
"682429"	436.228976	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H"	1.007276
"1358776"	146.081176	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H"	1.007276
"128388"	146.081176	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2H"	2.014552
"568678"	218.618126	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2H"	2.014552
"1038569"	73.544226	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2H"	2.014552
"204646"	97.7232093333333	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+3H"	3.021828
"648211"	146.081176	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+3H"	3.021828
"1166705"	49.3652426666667	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3H"	3.021828
"425969"	308.181623	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+NH4"	18.033823
"793166"	453.255523	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+NH4"	18.033823
"1687311"	163.107723	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4"	18.033823
"330527"	154.5944495	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+NH4"	19.041099
"723637"	227.1313995	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+NH4"	19.041099
"1478916"	82.0574995	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+NH4"	19.041099
"397236"	313.137018	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Na"	22.989218
"755314"	458.210918	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Na"	22.989218
"1605234"	168.063118	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na"	22.989218
"319647"	157.072147	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+Na"	23.996494
"712068"	229.609097	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+Na"	23.996494
"1462607"	84.535197	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+Na"	23.996494
"1060230"	56.6925566666667	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2H+Na"	25.00377
"1269202"	178.107386	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+CH3OH+H"	33.033486
"388139"	329.110958	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+K"	38.963158
"748041"	474.184858	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+K"	38.963158
"1547908"	184.037058	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K"	38.963158
"311647"	165.059117	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+H+K"	39.970434
"700786"	237.596067	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+H+K"	39.970434
"1457888"	92.522167	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+K"	39.970434
"249775"	332.181626	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+H"	42.033826
"1222858"	187.107726	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+H"	42.033826
"1206375"	94.057501	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+2H"	43.041102
"203254"	335.11896	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Na-H"	44.97116
"643182"	480.19286	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Na-H"	44.97116
"1146319"	190.04506	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Na-H"	44.97116
"186330"	168.063118	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2Na"	45.978436
"624796"	240.600068	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2Na"	45.978436
"1127574"	95.526168	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2Na"	45.978436
"1405632"	64.0198706666667	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+2Na"	46.985712
"1433372"	192.086646	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+HCOOH"	47.012746
"220880"	173.09614	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+3H2O+2H"	56.04448
"1510766"	206.13869	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+H"	61.06479
"409723"	176.050088	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+Na+K"	61.952376
"769996"	248.587038	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+Na+K"	61.952376
"1665774"	103.513138	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+K"	61.952376
"252471"	354.163568	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+ACN+Na"	64.015768
"1227371"	209.089668	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+ACN+Na"	64.015768
"1714433"	209.113193	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4+HCOOH"	64.039293
"1182707"	71.3471846666667	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3Na"	68.967654
"1656976"	214.068588	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+HCOOH"	68.994688
"168213"	367.06684	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2K-H"	76.91904
"607771"	512.14074	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2K-H"	76.91904
"1093380"	221.99294	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K-H"	76.91904
"155665"	184.037058	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"2M+2K"	77.926316
"593038"	256.574008	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"3M+2K"	77.926316
"1079746"	111.500108	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K"	77.926316
"1111861"	224.007492	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2K+H"	78.933592
"1347154"	224.095107	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+DMSO+H"	79.021207
"1008031"	228.134276	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+H"	83.060376
"1530530"	229.127908	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+IsoProp+Na+H"	84.054008
"994791"	114.570776	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+2ACN+2H"	84.067652
"1593668"	230.042528	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K+HCOOH"	84.968628
"1424794"	260.074038	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+H+CF3COOH"	115.000138
"1160184"	135.084051	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+3ACN+2H"	125.094202
"1712531"	277.100585	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+NH4+CF3COOH"	132.026685
"1642469"	282.05598	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+Na+CF3COOH"	136.98208
"1586867"	298.02992	"C05825"	"2-Amino-5-oxohexanoate"	"C6H11NO3"	"145.0739"	"M+K+CF3COOH"	152.95602
"807395"	124.0637	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M"	0
"986396"	105.04531	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-H2O-H"	-19.01839
"65891"	81.7018573333333	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M-3H"	-3.021828
"504721"	123.056424	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M-3H"	-3.021828
"881427"	40.3472906666667	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-3H"	-3.021828
"277"	123.056424	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M-2H"	-2.014552
"441386"	185.088274	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M-2H"	-2.014552
"820282"	61.024574	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-2H"	-2.014552
"79181"	247.120124	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M-H"	-1.007276
"520930"	371.183824	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M-H"	-1.007276
"896299"	123.056424	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-H"	-1.007276
"47634"	264.146671	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M-2H+NH4"	16.019271
"491578"	388.210371	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M-2H+NH4"	16.019271
"864759"	140.082971	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-2H+NH4"	16.019271
"35093"	269.102066	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M-2H+Na"	20.974666
"475745"	393.165766	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M-2H+Na"	20.974666
"852453"	145.038366	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-2H+Na"	20.974666
"1624173"	145.038366	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Na-2H"	20.974666
"95598"	141.044763	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M-H+Cl"	33.962126
"536251"	203.076613	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M-H+Cl"	33.962126
"931590"	79.012913	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-H+Cl"	33.962126
"267999"	283.096802	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+Cl"	34.969402
"662567"	407.160502	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+Cl"	34.969402
"1279346"	159.033102	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Cl"	34.969402
"21905"	285.076006	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M-2H+K"	36.948606
"461464"	409.139706	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M-2H+K"	36.948606
"833231"	161.012306	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-2H+K"	36.948606
"1557285"	161.012306	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+K-2H"	36.948606
"945169"	169.061894	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-H+HCOOH"	44.998194
"361922"	293.125601	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+HCOOH-H"	44.998201
"346578"	307.141251	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+Hac-H"	59.013851
"1495002"	183.077551	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Hac-H"	59.013851
"958741"	191.043851	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-H+NaCOOH"	66.980151
"110362"	159.033102	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+2Cl"	69.938804
"550329"	221.064952	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+2Cl"	69.938804
"1021520"	97.001252	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2Cl"	69.938804
"1241829"	202.982585	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Br"	78.918885
"1304472"	205.038572	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Cl+HCOOH"	80.974872
"1320310"	227.020529	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Cl+NaCOOH"	102.956829
"911608"	237.049286	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M-H+CF3COOH"	112.985586
"1289420"	273.025964	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Cl+CF3COOH"	148.962264
"1369892"	89.051024	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H-2H2O"	-35.012676
"1385325"	107.061	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H-H2O"	-17.0027
"289023"	249.134676	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+H"	1.007276
"679257"	373.198376	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+H"	1.007276
"1352563"	125.070976	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H"	1.007276
"129956"	125.070976	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+2H"	2.014552
"570246"	187.102826	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+2H"	2.014552
"1038315"	63.039126	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2H"	2.014552
"204674"	83.7164093333333	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+3H"	3.021828
"647227"	125.070976	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+3H"	3.021828
"1164993"	42.3618426666667	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+3H"	3.021828
"426443"	266.161223	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+NH4"	18.033823
"794369"	390.224923	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+NH4"	18.033823
"1688514"	142.097523	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+NH4"	18.033823
"330835"	133.5842495	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+H+NH4"	19.041099
"723259"	195.6160995	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+H+NH4"	19.041099
"1478416"	71.5523995	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H+NH4"	19.041099
"394066"	271.116618	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+Na"	22.989218
"755424"	395.180318	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+Na"	22.989218
"1603154"	147.052918	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Na"	22.989218
"317205"	136.061947	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+H+Na"	23.996494
"710355"	198.093797	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+H+Na"	23.996494
"1462591"	74.030097	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H+Na"	23.996494
"1060340"	49.6891566666667	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2H+Na"	25.00377
"1268583"	157.097186	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+CH3OH+H"	33.033486
"384969"	287.090558	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+K"	38.963158
"745964"	411.154258	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+K"	38.963158
"1544738"	163.026858	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+K"	38.963158
"305195"	144.048917	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+H+K"	39.970434
"695428"	206.080767	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+H+K"	39.970434
"1454718"	82.017067	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H+K"	39.970434
"246604"	290.161226	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+ACN+H"	42.033826
"1221142"	166.097526	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+ACN+H"	42.033826
"1205390"	83.552401	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+ACN+2H"	43.041102
"200448"	293.09856	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+2Na-H"	44.97116
"641103"	417.16226	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+2Na-H"	44.97116
"1142056"	169.03486	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2Na-H"	44.97116
"185346"	147.052918	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+2Na"	45.978436
"621991"	209.084768	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+2Na"	45.978436
"1119664"	85.021068	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2Na"	45.978436
"1401003"	57.0164706666667	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H+2Na"	46.985712
"1431659"	171.076446	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H+HCOOH"	47.012746
"221354"	152.08594	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+3H2O+2H"	56.04448
"1509781"	185.12849	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+IsoProp+H"	61.06479
"410561"	155.039888	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+Na+K"	61.952376
"771183"	217.071738	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+Na+K"	61.952376
"1665611"	93.008038	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Na+K"	61.952376
"251806"	312.143168	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+ACN+Na"	64.015768
"1225975"	188.079468	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+ACN+Na"	64.015768
"1714179"	188.102993	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+NH4+HCOOH"	64.039293
"1180992"	64.3437846666667	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+3Na"	68.967654
"1652712"	193.058388	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Na+HCOOH"	68.994688
"163949"	325.04644	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+2K-H"	76.91904
"604601"	449.11014	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+2K-H"	76.91904
"1091302"	200.98274	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2K-H"	76.91904
"155289"	163.026858	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"2M+2K"	77.926316
"594241"	225.058708	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"3M+2K"	77.926316
"1078399"	100.995008	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2K"	77.926316
"1108690"	202.997292	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2K+H"	78.933592
"1343982"	203.084907	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+DMSO+H"	79.021207
"1008141"	207.124076	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2ACN+H"	83.060376
"1529547"	208.117708	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+IsoProp+Na+H"	84.054008
"994901"	104.065676	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+2ACN+2H"	84.067652
"1592685"	209.032328	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+K+HCOOH"	84.968628
"1424904"	239.063838	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+H+CF3COOH"	115.000138
"1160294"	124.578951	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+3ACN+2H"	125.094202
"1712643"	256.090385	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+NH4+CF3COOH"	132.026685
"1642579"	261.04578	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+Na+CF3COOH"	136.98208
"1586977"	277.01972	"C05827"	"Methylimidazole acetaldehyde;1-Methylimidazole-4-acetaldehyde;Methylimidazoleacetaldehyde"	"C6H8N2O"	"124.0637"	"M+K+CF3COOH"	152.95602
"808598"	140.0586	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M"	0
"989181"	121.04021	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-H2O-H"	-19.01839
"66365"	92.365124	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M-3H"	-3.021828
"505924"	139.051324	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M-3H"	-3.021828
"882266"	45.678924	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-3H"	-3.021828
"3025"	139.051324	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M-2H"	-2.014552
"442589"	209.080624	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M-2H"	-2.014552
"820392"	69.022024	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-2H"	-2.014552
"80384"	279.109924	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M-H"	-1.007276
"521040"	419.168524	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M-H"	-1.007276
"896773"	139.051324	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-H"	-1.007276
"48353"	296.136471	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M-2H+NH4"	16.019271
"491688"	436.195071	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M-2H+NH4"	16.019271
"865112"	156.077871	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-2H+NH4"	16.019271
"35203"	301.091866	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M-2H+Na"	20.974666
"475855"	441.150466	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M-2H+Na"	20.974666
"850376"	161.033266	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-2H+Na"	20.974666
"1621002"	161.033266	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Na-2H"	20.974666
"96437"	157.039663	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M-H+Cl"	33.962126
"537090"	227.068963	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M-H+Cl"	33.962126
"931700"	87.010363	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-H+Cl"	33.962126
"269163"	315.086602	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+Cl"	34.969402
"664864"	455.145202	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+Cl"	34.969402
"1280550"	175.028002	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Cl"	34.969402
"26386"	317.065806	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M-2H+K"	36.948606
"458295"	457.124406	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M-2H+K"	36.948606
"836098"	177.007206	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-2H+K"	36.948606
"1558853"	177.007206	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+K-2H"	36.948606
"945644"	185.056794	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-H+HCOOH"	44.998194
"362400"	325.115401	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+HCOOH-H"	44.998201
"346285"	339.131051	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+Hac-H"	59.013851
"1494385"	199.072451	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Hac-H"	59.013851
"959987"	207.038751	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-H+NaCOOH"	66.980151
"110472"	175.028002	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+2Cl"	69.938804
"551490"	245.057302	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+2Cl"	69.938804
"1021749"	104.998702	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2Cl"	69.938804
"1242790"	218.977485	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Br"	78.918885
"1304380"	221.033472	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Cl+HCOOH"	80.974872
"1320664"	243.015429	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Cl+NaCOOH"	102.956829
"911680"	253.044186	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M-H+CF3COOH"	112.985586
"1288476"	289.020864	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Cl+CF3COOH"	148.962264
"1367132"	105.045924	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H-2H2O"	-35.012676
"1382764"	123.0559	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H-H2O"	-17.0027
"286214"	281.124476	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+H"	1.007276
"675790"	421.183076	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+H"	1.007276
"1351820"	141.065876	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H"	1.007276
"131889"	141.065876	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+2H"	2.014552
"568532"	211.095176	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+2H"	2.014552
"1038180"	71.036576	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2H"	2.014552
"205100"	94.379676	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+3H"	3.021828
"645513"	141.065876	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+3H"	3.021828
"1164735"	47.693476	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+3H"	3.021828
"424974"	298.151023	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+NH4"	18.033823
"793386"	438.209623	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+NH4"	18.033823
"1683156"	158.092423	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+NH4"	18.033823
"332529"	149.5791495	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+H+NH4"	19.041099
"724951"	219.6084495	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+H+NH4"	19.041099
"1478770"	79.5498495	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H+NH4"	19.041099
"395633"	303.106418	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+Na"	22.989218
"758449"	443.165018	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+Na"	22.989218
"1606546"	163.047818	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Na"	22.989218
"316585"	152.056847	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+H+Na"	23.996494
"709371"	222.086147	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+H+Na"	23.996494
"1463190"	82.027547	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H+Na"	23.996494
"1058260"	55.02079	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2H+Na"	25.00377
"1266503"	173.092086	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+CH3OH+H"	33.033486
"386170"	319.080358	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+K"	38.963158
"744977"	459.138958	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+K"	38.963158
"1545941"	179.021758	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+K"	38.963158
"304212"	160.043817	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+H+K"	39.970434
"697725"	230.073117	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+H+K"	39.970434
"1451548"	90.014517	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H+K"	39.970434
"246711"	322.151026	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+ACN+H"	42.033826
"1221613"	182.092426	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+ACN+H"	42.033826
"1206225"	91.549851	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+ACN+2H"	43.041102
"192168"	325.08836	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+2Na-H"	44.97116
"637927"	465.14696	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+2Na-H"	44.97116
"1140340"	185.02976	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2Na-H"	44.97116
"181447"	163.047818	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+2Na"	45.978436
"619184"	233.077118	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+2Na"	45.978436
"1121231"	93.018518	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2Na"	45.978436
"1402932"	62.348104	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H+2Na"	46.985712
"1432132"	187.071346	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H+HCOOH"	47.012746
"220405"	168.08084	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+3H2O+2H"	56.04448
"1510984"	201.12339	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+IsoProp+H"	61.06479
"408919"	171.034788	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+Na+K"	61.952376
"770484"	241.064088	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+Na+K"	61.952376
"1666287"	101.005488	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Na+K"	61.952376
"251458"	344.132968	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+ACN+Na"	64.015768
"1225758"	204.074368	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+ACN+Na"	64.015768
"1716110"	204.097893	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+NH4+HCOOH"	64.039293
"1180492"	69.675418	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+3Na"	68.967654
"1653914"	209.053288	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Na+HCOOH"	68.994688
"160777"	357.03624	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+2K-H"	76.91904
"604711"	497.09484	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+2K-H"	76.91904
"1089224"	216.97764	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2K-H"	76.91904
"146041"	179.021758	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"2M+2K"	77.926316
"587787"	249.051058	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"3M+2K"	77.926316
"1072311"	108.992458	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2K"	77.926316
"1106615"	218.992192	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2K+H"	78.933592
"1343000"	219.079807	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+DMSO+H"	79.021207
"1005894"	223.118976	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2ACN+H"	83.060376
"1530749"	224.112608	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+IsoProp+Na+H"	84.054008
"991365"	112.063126	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+2ACN+2H"	84.067652
"1593887"	225.027228	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+K+HCOOH"	84.968628
"1422826"	255.058738	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+H+CF3COOH"	115.000138
"1157488"	132.576401	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+3ACN+2H"	125.094202
"1712144"	272.085285	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+NH4+CF3COOH"	132.026685
"1642689"	277.04068	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+Na+CF3COOH"	136.98208
"1577246"	293.01462	"C05828"	"Methylimidazoleacetic acid;Tele-methylimidazoleacetic acid;1-Methyl-4-imidazoleacetic acid;1-Methylimidazole-4-acetate;Methylimidazoleacetate"	"C6H8N2O2"	"140.0586"	"M+K+CF3COOH"	152.95602
"809802"	190.059	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M"	0
"989806"	171.04061	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-H2O-H"	-19.01839
"73765"	125.698724	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M-3H"	-3.021828
"507856"	189.051724	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M-3H"	-3.021828
"891125"	62.345724	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-3H"	-3.021828
"7513"	189.051724	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M-2H"	-2.014552
"445980"	284.081224	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M-2H"	-2.014552
"824876"	94.022224	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-2H"	-2.014552
"84868"	379.110724	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M-H"	-1.007276
"521150"	569.169724	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M-H"	-1.007276
"896519"	189.051724	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-H"	-1.007276
"48952"	396.137271	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M-2H+NH4"	16.019271
"495078"	586.196271	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M-2H+NH4"	16.019271
"864492"	206.078271	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-2H+NH4"	16.019271
"37500"	401.092666	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M-2H+Na"	20.974666
"474872"	591.151666	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M-2H+Na"	20.974666
"849756"	211.033666	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-2H+Na"	20.974666
"1621112"	211.033666	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Na-2H"	20.974666
"96547"	207.040063	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M-H+Cl"	33.962126
"537200"	302.069563	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M-H+Cl"	33.962126
"939465"	112.010563	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-H+Cl"	33.962126
"269273"	415.087402	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+Cl"	34.969402
"663881"	605.146402	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+Cl"	34.969402
"1280659"	225.028402	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Cl"	34.969402
"26495"	417.066606	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M-2H+K"	36.948606
"460593"	607.125606	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M-2H+K"	36.948606
"835479"	227.007606	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-2H+K"	36.948606
"1557506"	227.007606	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+K-2H"	36.948606
"946484"	235.057194	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-H+HCOOH"	44.998194
"365064"	425.116201	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+HCOOH-H"	44.998201
"346031"	439.131851	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+Hac-H"	59.013851
"1493406"	249.072851	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Hac-H"	59.013851
"964230"	257.039151	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-H+NaCOOH"	66.980151
"110246"	225.028402	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+2Cl"	69.938804
"552696"	320.057902	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+2Cl"	69.938804
"1025505"	129.998902	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2Cl"	69.938804
"1242531"	268.977885	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Br"	78.918885
"1304492"	271.033872	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Cl+HCOOH"	80.974872
"1322112"	293.015829	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Cl+NaCOOH"	102.956829
"911748"	303.044586	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M-H+CF3COOH"	112.985586
"1290974"	339.021264	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Cl+CF3COOH"	148.962264
"1367432"	155.046324	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H-2H2O"	-35.012676
"1382902"	173.0563	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H-H2O"	-17.0027
"286688"	381.125276	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+H"	1.007276
"676188"	571.184276	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+H"	1.007276
"1351684"	191.066276	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H"	1.007276
"130906"	191.066276	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+2H"	2.014552
"566820"	286.095776	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+2H"	2.014552
"1038170"	96.036776	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2H"	2.014552
"204604"	127.713276	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+3H"	3.021828
"645019"	191.066276	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+3H"	3.021828
"1163145"	64.360276	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+3H"	3.021828
"425568"	398.151823	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+NH4"	18.033823
"794589"	588.210823	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+NH4"	18.033823
"1690920"	208.092823	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+NH4"	18.033823
"333732"	199.5795495	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+H+NH4"	19.041099
"729435"	294.6090495	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+H+NH4"	19.041099
"1481068"	104.5500495	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H+NH4"	19.041099
"396472"	403.107218	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+Na"	22.989218
"758559"	593.166218	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+Na"	22.989218
"1608843"	213.048218	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Na"	22.989218
"317059"	202.057247	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+H+Na"	23.996494
"711667"	297.086747	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+H+Na"	23.996494
"1465850"	107.027747	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H+Na"	23.996494
"1058370"	71.68759	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2H+Na"	25.00377
"1265520"	223.092486	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+CH3OH+H"	33.033486
"387373"	419.081158	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+K"	38.963158
"748003"	609.140158	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+K"	38.963158
"1547144"	229.022158	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+K"	38.963158
"304321"	210.044217	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+H+K"	39.970434
"697835"	305.073717	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+H+K"	39.970434
"1451657"	115.014717	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H+K"	39.970434
"246821"	422.151826	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+ACN+H"	42.033826
"1223184"	232.092826	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+ACN+H"	42.033826
"1206335"	116.550051	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+ACN+2H"	43.041102
"193007"	425.08916	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+2Na-H"	44.97116
"640224"	615.14816	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+2Na-H"	44.97116
"1140450"	235.03016	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2Na-H"	44.97116
"187389"	213.048218	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+2Na"	45.978436
"625490"	308.077718	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+2Na"	45.978436
"1124621"	118.018718	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2Na"	45.978436
"1409241"	79.014904	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H+2Na"	46.985712
"1432975"	237.071746	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H+HCOOH"	47.012746
"223397"	218.08124	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+3H2O+2H"	56.04448
"1513648"	251.12379	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+IsoProp+H"	61.06479
"411874"	221.035188	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+Na+K"	61.952376
"773234"	316.064688	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+Na+K"	61.952376
"1667378"	126.005688	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Na+K"	61.952376
"253166"	444.133768	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+ACN+Na"	64.015768
"1228063"	254.074768	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+ACN+Na"	64.015768
"1715494"	254.098293	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+NH4+HCOOH"	64.039293
"1183036"	86.342218	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+3Na"	68.967654
"1657304"	259.053688	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Na+HCOOH"	68.994688
"165261"	457.03704	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+2K-H"	76.91904
"605914"	647.09604	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+2K-H"	76.91904
"1090428"	266.97804	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2K-H"	76.91904
"146151"	229.022158	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"2M+2K"	77.926316
"584617"	324.051658	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"3M+2K"	77.926316
"1070234"	133.992658	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2K"	77.926316
"1106723"	268.992592	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2K+H"	78.933592
"1342015"	269.080207	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+DMSO+H"	79.021207
"1006898"	273.119376	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2ACN+H"	83.060376
"1526485"	274.113008	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+IsoProp+Na+H"	84.054008
"990174"	137.063326	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+2ACN+2H"	84.067652
"1587555"	275.027628	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+K+HCOOH"	84.968628
"1422936"	305.059138	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+H+CF3COOH"	115.000138
"1151402"	157.576601	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+3ACN+2H"	125.094202
"1710430"	322.085685	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+NH4+CF3COOH"	132.026685
"1646079"	327.04108	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+Na+CF3COOH"	136.98208
"1577356"	343.01502	"C05829"	"N-Carbamyl-L-glutamate;Carglumic acid"	"C6H10N2O5"	"190.059"	"M+K+CF3COOH"	152.95602
"804445"	219.0532	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M"	0
"983446"	200.03481	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-H2O-H"	-19.01839
"70594"	145.028190666667	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M-3H"	-3.021828
"503227"	218.045924	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M-3H"	-3.021828
"884674"	72.0104573333333	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-3H"	-3.021828
"3249"	218.045924	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M-2H"	-2.014552
"444997"	327.572524	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M-2H"	-2.014552
"821706"	108.519324	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-2H"	-2.014552
"79511"	437.099124	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M-H"	-1.007276
"521260"	656.152324	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M-H"	-1.007276
"896023"	218.045924	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-H"	-1.007276
"49062"	454.125671	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M-2H+NH4"	16.019271
"495188"	673.178871	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M-2H+NH4"	16.019271
"864480"	235.072471	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-2H+NH4"	16.019271
"34330"	459.081066	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M-2H+Na"	20.974666
"472307"	678.134266	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M-2H+Na"	20.974666
"849624"	240.027866	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-2H+Na"	20.974666
"1622315"	240.027866	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Na-2H"	20.974666
"94543"	236.034263	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M-H+Cl"	33.962126
"536215"	345.560863	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M-H+Cl"	33.962126
"931920"	126.507663	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-H+Cl"	33.962126
"272664"	473.075802	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+Cl"	34.969402
"666178"	692.129002	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+Cl"	34.969402
"1279675"	254.022602	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Cl"	34.969402
"24418"	475.055006	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M-2H+K"	36.948606
"463980"	694.108206	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M-2H+K"	36.948606
"835589"	256.001806	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-2H+K"	36.948606
"1556522"	256.001806	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+K-2H"	36.948606
"946592"	264.051394	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-H+HCOOH"	44.998194
"362007"	483.104601	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+HCOOH-H"	44.998201
"347233"	497.120251	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+Hac-H"	59.013851
"1493879"	278.067051	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Hac-H"	59.013851
"964340"	286.033351	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-H+NaCOOH"	66.980151
"112153"	254.022602	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+2Cl"	69.938804
"552442"	363.549202	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+2Cl"	69.938804
"1024887"	144.496002	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2Cl"	69.938804
"1243735"	297.972085	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Br"	78.918885
"1304768"	300.028072	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Cl+HCOOH"	80.974872
"1321129"	322.010029	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Cl+NaCOOH"	102.956829
"912186"	332.038786	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M-H+CF3COOH"	112.985586
"1292908"	368.015464	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Cl+CF3COOH"	148.962264
"1368515"	184.040524	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H-2H2O"	-35.012676
"1383945"	202.0505	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H-H2O"	-17.0027
"286070"	439.113676	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+H"	1.007276
"676177"	658.166876	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+H"	1.007276
"1353016"	220.060476	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H"	1.007276
"128466"	220.060476	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+2H"	2.014552
"566566"	329.587076	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+2H"	2.014552
"1037915"	110.533876	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2H"	2.014552
"204551"	147.042742666667	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+3H"	3.021828
"645007"	220.060476	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+3H"	3.021828
"1163133"	74.0250093333333	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+3H"	3.021828
"424341"	456.140223	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+NH4"	18.033823
"796887"	675.193423	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+NH4"	18.033823
"1686656"	237.087023	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+NH4"	18.033823
"336029"	228.5737495	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+H+NH4"	19.041099
"726264"	338.1003495	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+H+NH4"	19.041099
"1478991"	119.0471495	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H+NH4"	19.041099
"396582"	461.095618	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+Na"	22.989218
"757576"	680.148818	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+Na"	22.989218
"1607862"	242.042418	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Na"	22.989218
"318988"	231.051447	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+H+Na"	23.996494
"711413"	340.578047	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+H+Na"	23.996494
"1465235"	121.524847	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H+Na"	23.996494
"1060662"	81.3523233333333	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2H+Na"	25.00377
"1261251"	252.086686	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+CH3OH+H"	33.033486
"385299"	477.069558	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+K"	38.963158
"747385"	696.122758	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+K"	38.963158
"1546156"	258.016358	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+K"	38.963158
"302245"	239.038417	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+H+K"	39.970434
"696852"	348.565017	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+H+K"	39.970434
"1448486"	129.511817	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H+K"	39.970434
"248757"	480.140226	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+ACN+H"	42.033826
"1222928"	261.087026	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+ACN+H"	42.033826
"1204623"	131.047151	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+ACN+2H"	43.041102
"192388"	483.07756	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+2Na-H"	44.97116
"638147"	702.13076	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+2Na-H"	44.97116
"1140560"	264.02436	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2Na-H"	44.97116
"185678"	242.042418	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+2Na"	45.978436
"625237"	351.569018	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+2Na"	45.978436
"1124366"	132.515818	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2Na"	45.978436
"1409351"	88.6796373333333	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H+2Na"	46.985712
"1434178"	266.065946	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H+HCOOH"	47.012746
"224965"	247.07544	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+3H2O+2H"	56.04448
"1512665"	280.11799	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+IsoProp+H"	61.06479
"411984"	250.029388	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+Na+K"	61.952376
"773344"	359.555988	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+Na+K"	61.952376
"1668581"	140.502788	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Na+K"	61.952376
"252912"	502.122168	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+ACN+Na"	64.015768
"1227445"	283.068968	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+ACN+Na"	64.015768
"1715604"	283.092493	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+NH4+HCOOH"	64.039293
"1184239"	96.0069513333333	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+3Na"	68.967654
"1656321"	288.047888	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Na+HCOOH"	68.994688
"165371"	515.02544	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+2K-H"	76.91904
"611128"	734.07864	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+2K-H"	76.91904
"1090538"	295.97224	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2K-H"	76.91904
"146261"	258.016358	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"2M+2K"	77.926316
"584727"	367.542958	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"3M+2K"	77.926316
"1070344"	148.489758	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2K"	77.926316
"1103918"	297.986792	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2K+H"	78.933592
"1342124"	298.074407	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+DMSO+H"	79.021207
"1007252"	302.113576	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2ACN+H"	83.060376
"1524208"	303.107208	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+IsoProp+Na+H"	84.054008
"991584"	151.560426	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+2ACN+2H"	84.067652
"1591919"	304.021828	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+K+HCOOH"	84.968628
"1424140"	334.053338	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+H+CF3COOH"	115.000138
"1154428"	172.073701	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+3ACN+2H"	125.094202
"1710540"	351.079885	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+NH4+CF3COOH"	132.026685
"1646189"	356.03528	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+Na+CF3COOH"	136.98208
"1577466"	372.00922	"C05830"	"8-Methoxykynurenate;Xanthurenic acid 8-methyl ether"	"C11H9NO4"	"219.0532"	"M+K+CF3COOH"	152.95602
"804555"	167.0582	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M"	0
"978089"	148.03981	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"64143"	110.364857333333	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"503703"	166.050924	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"880774"	54.6787906666667	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"2266"	166.050924	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"444014"	249.580024	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"821815"	82.521824	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"80715"	333.109124	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"521370"	500.167324	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"896012"	166.050924	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"49172"	350.135671	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"495298"	517.193871	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"864591"	183.077471	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"37720"	355.091066	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"473147"	522.149266	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"856173"	188.032866	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1623519"	188.032866	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"95673"	184.039263	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"537419"	267.568363	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"936405"	100.510163	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"277149"	369.085802	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"665195"	536.144002	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1279786"	202.027602	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"24528"	371.065006	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"458625"	538.123206	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"837522"	204.006806	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1558090"	204.006806	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"947797"	212.056394	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"363824"	379.114601	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"346982"	393.130251	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1493992"	226.072051	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"962993"	234.038351	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"111535"	202.027602	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"552914"	285.556702	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1021957"	118.498502	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1243845"	245.977085	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1305565"	248.033072	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1327437"	270.015029	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"915214"	280.043786	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1293018"	316.020464	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1367898"	132.045524	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1383571"	150.0555	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"283423"	335.123676	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"676414"	502.181876	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1356046"	168.065476	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"126872"	168.065476	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"568499"	251.594576	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1041673"	84.536376	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"205561"	112.379409333333	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"645237"	168.065476	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1163971"	56.6933426666667	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"424817"	352.150223	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"792623"	519.208423	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1684580"	185.092023	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"332859"	176.5787495	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"727467"	260.1078495	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1484568"	93.0496495	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"399972"	357.105618	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"756593"	524.163818	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1610158"	190.047418	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"319099"	179.056447	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"712615"	262.585547	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1467530"	95.527347	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1055305"	64.0206566666667	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1258439"	200.091686	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"385409"	373.079558	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"749681"	540.137758	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1548087"	206.021358	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"301262"	187.043417	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"695868"	270.572517	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1448596"	103.514317	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"248502"	376.150226	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1219757"	209.092026	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1202544"	105.049651	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"191406"	379.08756	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"635705"	546.14576	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1135201"	212.02936	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"185422"	190.047418	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"624616"	273.576518	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1123382"	106.518318	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1406179"	71.3479706666667	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1435017"	214.070946	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"223252"	195.08044	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1513867"	228.12299	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"413553"	198.034388	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"773454"	281.563488	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1668691"	114.505288	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"251648"	398.132168	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1227555"	231.073968	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1716807"	231.097493	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1184349"	78.6752846666667	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1655338"	236.052888	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"170949"	411.03544	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"611602"	578.09364	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1090648"	243.97724	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"146371"	206.021358	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"587025"	289.550458	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1072642"	122.492258	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1108765"	245.991792	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1341141"	246.079407	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1007487"	250.118576	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1527798"	251.112208	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"997526"	125.562926	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1593122"	252.026828	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1427530"	282.058338	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1151258"	146.076201	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1711379"	299.084885	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1643019"	304.04028	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1577576"	320.01422	"C05831"	"3-Methoxyanthranilate;3-Methoxyanthranilic acid"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"804665"	248.0797	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M"	0
"978199"	229.06131	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-H2O-H"	-19.01839
"64253"	164.379190666667	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M-3H"	-3.021828
"503934"	247.072424	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M-3H"	-3.021828
"882707"	81.6859573333333	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-3H"	-3.021828
"3469"	247.072424	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M-2H"	-2.014552
"444124"	371.112274	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M-2H"	-2.014552
"825205"	123.032574	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-2H"	-2.014552
"81918"	495.152124	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M-H"	-1.007276
"520507"	743.231824	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M-H"	-1.007276
"896243"	247.072424	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-H"	-1.007276
"49282"	512.178671	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M-2H+NH4"	16.019271
"495408"	760.258371	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M-2H+NH4"	16.019271
"869928"	264.098971	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-2H+NH4"	16.019271
"41112"	517.134066	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M-2H+Na"	20.974666
"477390"	765.213766	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M-2H+Na"	20.974666
"858471"	269.054366	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-2H+Na"	20.974666
"1626910"	269.054366	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Na-2H"	20.974666
"100158"	265.060763	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M-H+Cl"	33.962126
"537531"	389.100613	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M-H+Cl"	33.962126
"938702"	141.020913	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-H+Cl"	33.962126
"278718"	531.128802	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+Cl"	34.969402
"668586"	779.208502	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+Cl"	34.969402
"1282083"	283.049102	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Cl"	34.969402
"23545"	533.108006	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M-2H+K"	36.948606
"460194"	781.187706	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M-2H+K"	36.948606
"834349"	285.028306	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-2H+K"	36.948606
"1557470"	285.028306	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+K-2H"	36.948606
"947909"	293.077894	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-H+HCOOH"	44.998194
"363203"	541.157601	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+HCOOH-H"	44.998201
"348915"	555.173251	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+Hac-H"	59.013851
"1498478"	307.093551	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Hac-H"	59.013851
"961279"	315.059851	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-H+NaCOOH"	66.980151
"113834"	283.049102	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+2Cl"	69.938804
"553757"	407.088952	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+2Cl"	69.938804
"1021947"	159.009252	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2Cl"	69.938804
"1241889"	326.998585	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Br"	78.918885
"1306405"	329.054572	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Cl+HCOOH"	80.974872
"1324267"	351.036529	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Cl+NaCOOH"	102.956829
"917511"	361.065286	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M-H+CF3COOH"	112.985586
"1291669"	397.041964	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Cl+CF3COOH"	148.962264
"1369102"	213.067024	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H-2H2O"	-35.012676
"1383558"	231.077	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H-H2O"	-17.0027
"284829"	497.166676	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+H"	1.007276
"681993"	745.246376	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+H"	1.007276
"1358344"	249.086976	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H"	1.007276
"134517"	249.086976	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+2H"	2.014552
"575171"	373.126826	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+2H"	2.014552
"1045064"	125.047126	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2H"	2.014552
"209682"	166.393742666667	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+3H"	3.021828
"651428"	249.086976	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+3H"	3.021828
"1170646"	83.7005093333333	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+3H"	3.021828
"427358"	514.193223	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+NH4"	18.033823
"787263"	762.272923	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+NH4"	18.033823
"1691251"	266.113523	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+NH4"	18.033823
"336250"	257.6002495	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+H+NH4"	19.041099
"729764"	381.6400995	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+H+NH4"	19.041099
"1484679"	133.5603995	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H+NH4"	19.041099
"398989"	519.148618	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+Na"	22.989218
"757796"	767.228318	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+Na"	22.989218
"1609176"	271.068918	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Na"	22.989218
"321395"	260.077947	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+H+Na"	23.996494
"714910"	384.117797	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+H+Na"	23.996494
"1467640"	136.038097	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H+Na"	23.996494
"1060883"	91.0278233333333	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2H+Na"	25.00377
"1261468"	281.113186	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+CH3OH+H"	33.033486
"386610"	535.122558	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+K"	38.963158
"749790"	783.202258	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+K"	38.963158
"1548561"	287.042858	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+K"	38.963158
"303558"	268.064917	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+H+K"	39.970434
"698162"	392.104767	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+H+K"	39.970434
"1449797"	144.025067	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H+K"	39.970434
"239496"	538.193226	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+ACN+H"	42.033826
"1216586"	290.113526	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+ACN+H"	42.033826
"1200832"	145.560401	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+ACN+2H"	43.041102
"192609"	541.13056	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+2Na-H"	44.97116
"635087"	789.21026	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+2Na-H"	44.97116
"1135676"	293.05086	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2Na-H"	44.97116
"185653"	271.068918	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+2Na"	45.978436
"625092"	395.108768	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+2Na"	45.978436
"1123492"	147.029068	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2Na"	45.978436
"1408476"	98.3551373333333	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H+2Na"	46.985712
"1440592"	295.092446	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H+HCOOH"	47.012746
"225914"	276.10194	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+3H2O+2H"	56.04448
"1513611"	309.14449	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+IsoProp+H"	61.06479
"413662"	279.055888	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+Na+K"	61.952376
"773564"	403.095738	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+Na+K"	61.952376
"1673174"	155.016038	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Na+K"	61.952376
"254591"	560.175168	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+ACN+Na"	64.015768
"1225919"	312.095468	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+ACN+Na"	64.015768
"1712902"	312.118993	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+NH4+HCOOH"	64.039293
"1178779"	105.682451333333	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+3Na"	68.967654
"1650176"	317.074388	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Na+HCOOH"	68.994688
"159391"	573.07844	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+2K-H"	76.91904
"610620"	821.15814	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+2K-H"	76.91904
"1090758"	324.99874	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2K-H"	76.91904
"145388"	287.042858	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"2M+2K"	77.926316
"582761"	411.082708	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"3M+2K"	77.926316
"1071654"	163.003008	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2K"	77.926316
"1108874"	327.013292	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2K+H"	78.933592
"1337969"	327.100907	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+DMSO+H"	79.021207
"1005822"	331.140076	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2ACN+H"	83.060376
"1529002"	332.133708	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+IsoProp+Na+H"	84.054008
"997636"	166.073676	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+2ACN+2H"	84.067652
"1589952"	333.048328	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+K+HCOOH"	84.968628
"1424360"	363.079838	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+H+CF3COOH"	115.000138
"1155741"	186.586951	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+3ACN+2H"	125.094202
"1705292"	380.106385	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+NH4+CF3COOH"	132.026685
"1643129"	385.06178	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+Na+CF3COOH"	136.98208
"1577686"	401.03572	"C05832"	"5-Hydroxyindoleacetylglycine"	"C12H12N2O4"	"248.0797"	"M+K+CF3COOH"	152.95602
"808055"	163.0633	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M"	0
"978309"	144.04491	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-H2O-H"	-19.01839
"65456"	107.701590666667	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M-3H"	-3.021828
"504165"	162.056024	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M-3H"	-3.021828
"885004"	53.3471573333333	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-3H"	-3.021828
"2486"	162.056024	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M-2H"	-2.014552
"445327"	243.587674	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M-2H"	-2.014552
"825315"	80.524374	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-2H"	-2.014552
"82028"	325.119324	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M-H"	-1.007276
"519399"	488.182624	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M-H"	-1.007276
"896837"	162.056024	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-H"	-1.007276
"48053"	342.145871	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M-2H+NH4"	16.019271
"496612"	505.209171	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M-2H+NH4"	16.019271
"868945"	179.082571	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-2H+NH4"	16.019271
"43409"	347.101266	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M-2H+Na"	20.974666
"482968"	510.164566	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M-2H+Na"	20.974666
"858582"	184.037966	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-2H+Na"	20.974666
"1629209"	184.037966	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Na-2H"	20.974666
"101361"	180.044363	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M-H+Cl"	33.962126
"540921"	261.576013	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M-H+Cl"	33.962126
"937719"	98.512713	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-H+Cl"	33.962126
"277370"	361.096002	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+Cl"	34.969402
"668696"	524.159302	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+Cl"	34.969402
"1282193"	198.032702	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Cl"	34.969402
"22562"	363.075206	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M-2H+K"	36.948606
"459940"	526.138506	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M-2H+K"	36.948606
"837742"	200.011906	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-2H+K"	36.948606
"1557216"	200.011906	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+K-2H"	36.948606
"944736"	208.061494	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-H+HCOOH"	44.998194
"364774"	371.124801	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+HCOOH-H"	44.998201
"347932"	385.140451	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+Hac-H"	59.013851
"1498953"	222.077151	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Hac-H"	59.013851
"961026"	230.043451	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-H+NaCOOH"	66.980151
"115038"	198.032702	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+2Cl"	69.938804
"554597"	279.564352	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+2Cl"	69.938804
"1025949"	116.501052	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2Cl"	69.938804
"1241876"	241.982185	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Br"	78.918885
"1308338"	244.038172	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Cl+HCOOH"	80.974872
"1324377"	266.020129	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Cl+NaCOOH"	102.956829
"920903"	276.048886	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M-H+CF3COOH"	112.985586
"1292142"	312.025564	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Cl+CF3COOH"	148.962264
"1369939"	128.050624	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H-2H2O"	-35.012676
"1383793"	146.0606	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H-H2O"	-17.0027
"284211"	327.133876	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+H"	1.007276
"681010"	490.197176	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+H"	1.007276
"1359547"	164.070576	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H"	1.007276
"136814"	164.070576	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+2H"	2.014552
"573095"	245.602226	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+2H"	2.014552
"1042987"	82.538926	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2H"	2.014552
"208698"	109.716142666667	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+3H"	3.021828
"652631"	164.070576	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+3H"	3.021828
"1169663"	55.3617093333333	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+3H"	3.021828
"426739"	344.160423	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+NH4"	18.033823
"786522"	507.223723	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+NH4"	18.033823
"1689175"	181.097123	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+NH4"	18.033823
"335267"	172.5838495	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+H+NH4"	19.041099
"729875"	254.1154995	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+H+NH4"	19.041099
"1485882"	91.0521995	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H+NH4"	19.041099
"399099"	349.115818	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+Na"	22.989218
"760092"	512.179118	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+Na"	22.989218
"1607827"	186.052518	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Na"	22.989218
"318225"	175.061547	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+H+Na"	23.996494
"715022"	256.593197	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+H+Na"	23.996494
"1465561"	93.529897	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H+Na"	23.996494
"1059900"	62.6890233333333	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2H+Na"	25.00377
"1261578"	196.096786	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+CH3OH+H"	33.033486
"381247"	365.089758	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+K"	38.963158
"747712"	528.153058	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+K"	38.963158
"1544299"	202.026458	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+K"	38.963158
"305853"	183.048517	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+H+K"	39.970434
"694993"	264.580167	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+H+K"	39.970434
"1448814"	101.516867	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H+K"	39.970434
"240700"	368.160426	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+ACN+H"	42.033826
"1217788"	205.097126	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+ACN+H"	42.033826
"1199484"	103.052201	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+ACN+2H"	43.041102
"192354"	371.09776	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+2Na-H"	44.97116
"638477"	534.16106	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+2Na-H"	44.97116
"1136879"	208.03446	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2Na-H"	44.97116
"184548"	186.052518	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+2Na"	45.978436
"620463"	267.584168	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+2Na"	45.978436
"1123238"	104.520868	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2Na"	45.978436
"1406399"	70.0163373333333	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H+2Na"	46.985712
"1436329"	210.076046	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H+HCOOH"	47.012746
"223472"	191.08554	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+3H2O+2H"	56.04448
"1509468"	224.12809	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+IsoProp+H"	61.06479
"408759"	194.039488	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+Na+K"	61.952376
"770132"	275.571138	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+Na+K"	61.952376
"1665801"	112.507838	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Na+K"	61.952376
"251779"	390.142368	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+ACN+Na"	64.015768
"1225944"	227.079068	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+ACN+Na"	64.015768
"1714835"	227.102593	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+NH4+HCOOH"	64.039293
"1180185"	77.3436513333333	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+3Na"	68.967654
"1651172"	232.057988	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Na+HCOOH"	68.994688
"158400"	403.04564	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+2K-H"	76.91904
"606355"	566.10894	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+2K-H"	76.91904
"1090868"	239.98234	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2K-H"	76.91904
"145498"	202.026458	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"2M+2K"	77.926316
"582871"	283.558108	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"3M+2K"	77.926316
"1076136"	120.494808	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2K"	77.926316
"1111898"	241.996892	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2K+H"	78.933592
"1346460"	242.084507	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+DMSO+H"	79.021207
"1013165"	246.123676	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2ACN+H"	83.060376
"1534579"	247.117308	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+IsoProp+Na+H"	84.054008
"999933"	123.565476	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+2ACN+2H"	84.067652
"1592248"	248.031928	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+K+HCOOH"	84.968628
"1421188"	278.063438	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+H+CF3COOH"	115.000138
"1152571"	144.078751	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+3ACN+2H"	125.094202
"1705402"	295.089985	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+NH4+CF3COOH"	132.026685
"1637771"	300.04538	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+Na+CF3COOH"	136.98208
"1577796"	316.01932	"C05834"	"3-Methyldioxyindole;3-Hydroxy-3-methyloxindole"	"C9H9NO2"	"163.0633"	"M+K+CF3COOH"	152.95602
"812540"	207.0532	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M"	0
"987897"	188.03481	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-H2O-H"	-19.01839
"73221"	137.028190666667	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M-3H"	-3.021828
"503669"	206.045924	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M-3H"	-3.021828
"889489"	68.0104573333333	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-3H"	-3.021828
"11344"	206.045924	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M-2H"	-2.014552
"441066"	309.572524	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M-2H"	-2.014552
"825426"	102.519324	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-2H"	-2.014552
"84326"	413.099124	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M-H"	-1.007276
"523889"	620.152324	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M-H"	-1.007276
"896586"	206.045924	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-H"	-1.007276
"51691"	430.125671	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M-2H+NH4"	16.019271
"499274"	637.178871	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M-2H+NH4"	16.019271
"871242"	223.072471	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-2H+NH4"	16.019271
"39146"	435.081066	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M-2H+Na"	20.974666
"481985"	642.134266	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M-2H+Na"	20.974666
"857599"	228.027866	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-2H+Na"	20.974666
"1629318"	228.027866	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Na-2H"	20.974666
"98191"	224.034263	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M-H+Cl"	33.962126
"541031"	327.560863	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M-H+Cl"	33.962126
"931267"	120.507663	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-H+Cl"	33.962126
"275291"	449.075802	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+Cl"	34.969402
"665525"	656.129002	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+Cl"	34.969402
"1279023"	242.022602	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Cl"	34.969402
"22672"	451.055006	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M-2H+K"	36.948606
"460414"	658.108206	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M-2H+K"	36.948606
"837123"	244.001806	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-2H+K"	36.948606
"1558421"	244.001806	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+K-2H"	36.948606
"945572"	252.051394	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-H+HCOOH"	44.998194
"365612"	459.104601	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+HCOOH-H"	44.998201
"348406"	473.120251	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+Hac-H"	59.013851
"1498334"	266.067051	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Hac-H"	59.013851
"966606"	274.033351	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-H+NaCOOH"	66.980151
"112596"	242.022602	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+2Cl"	69.938804
"553980"	345.549202	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+2Cl"	69.938804
"1028248"	138.496002	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2Cl"	69.938804
"1244541"	285.972085	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Br"	78.918885
"1308813"	288.028072	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Cl+HCOOH"	80.974872
"1326673"	310.010029	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Cl+NaCOOH"	102.956829
"917733"	320.038786	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M-H+CF3COOH"	112.985586
"1292252"	356.015464	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Cl+CF3COOH"	148.962264
"1370777"	172.040524	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H-2H2O"	-35.012676
"1385728"	190.0505	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H-H2O"	-17.0027
"285046"	415.113676	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+H"	1.007276
"679661"	622.166876	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+H"	1.007276
"1358564"	208.060476	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H"	1.007276
"133642"	208.060476	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+2H"	2.014552
"574298"	311.587076	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+2H"	2.014552
"1043096"	104.533876	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2H"	2.014552
"208809"	139.042742666667	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+3H"	3.021828
"648368"	208.060476	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+3H"	3.021828
"1166493"	70.0250093333333	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+3H"	3.021828
"427579"	432.140223	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+NH4"	18.033823
"787117"	639.193423	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+NH4"	18.033823
"1689286"	225.087023	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+NH4"	18.033823
"336472"	216.5737495	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+H+NH4"	19.041099
"728895"	320.1003495	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+H+NH4"	19.041099
"1485993"	113.0471495	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H+NH4"	19.041099
"397023"	437.095618	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+Na"	22.989218
"761298"	644.148818	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+Na"	22.989218
"1610490"	230.042418	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Na"	22.989218
"318340"	219.051447	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+H+Na"	23.996494
"715133"	322.578047	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+H+Na"	23.996494
"1466765"	115.524847	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H+Na"	23.996494
"1058916"	77.3523233333333	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2H+Na"	25.00377
"1259502"	240.086686	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+CH3OH+H"	33.033486
"381356"	453.069558	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+K"	38.963158
"745635"	660.122758	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+K"	38.963158
"1544409"	246.016358	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+K"	38.963158
"307060"	227.038417	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+H+K"	39.970434
"694011"	330.565017	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+H+K"	39.970434
"1450020"	123.511817	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H+K"	39.970434
"240810"	456.140226	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+ACN+H"	42.033826
"1220085"	249.087026	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+ACN+H"	42.033826
"1199594"	125.047151	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+ACN+2H"	43.041102
"195745"	459.07756	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+2Na-H"	44.97116
"635305"	666.13076	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+2Na-H"	44.97116
"1135531"	252.02436	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2Na-H"	44.97116
"184293"	230.042418	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+2Na"	45.978436
"621666"	333.569018	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+2Na"	45.978436
"1121525"	126.515818	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2Na"	45.978436
"1405416"	84.6796373333333	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H+2Na"	46.985712
"1436439"	254.065946	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H+HCOOH"	47.012746
"222122"	235.07544	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+3H2O+2H"	56.04448
"1511643"	268.11799	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+IsoProp+H"	61.06479
"409137"	238.029388	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+Na+K"	61.952376
"771718"	341.555988	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+Na+K"	61.952376
"1667197"	134.502788	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Na+K"	61.952376
"252013"	478.122168	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+ACN+Na"	64.015768
"1229342"	271.068968	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+ACN+Na"	64.015768
"1714579"	271.092493	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+NH4+HCOOH"	64.039293
"1180661"	92.0069513333333	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+3Na"	68.967654
"1652372"	276.047888	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Na+HCOOH"	68.994688
"157907"	491.02544	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+2K-H"	76.91904
"609746"	698.07864	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+2K-H"	76.91904
"1096446"	283.97224	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2K-H"	76.91904
"149623"	246.016358	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"2M+2K"	77.926316
"592823"	349.542958	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"3M+2K"	77.926316
"1076979"	142.489758	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2K"	77.926316
"1110549"	285.986792	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2K+H"	78.933592
"1343656"	286.074407	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+DMSO+H"	79.021207
"1015465"	290.113576	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2ACN+H"	83.060376
"1530315"	291.107208	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+IsoProp+Na+H"	84.054008
"998950"	145.560426	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+2ACN+2H"	84.067652
"1588226"	292.021828	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+K+HCOOH"	84.968628
"1418018"	322.053338	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+H+CF3COOH"	115.000138
"1149401"	166.073701	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+3ACN+2H"	125.094202
"1706606"	339.079885	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+NH4+CF3COOH"	132.026685
"1646629"	344.03528	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+Na+CF3COOH"	136.98208
"1577906"	360.00922	"C05835"	"2-Formaminobenzoylacetate"	"C10H9NO4"	"207.0532"	"M+K+CF3COOH"	152.95602
"811556"	448.061	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M"	0
"985090"	429.04261	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-H2O-H"	-19.01839
"73331"	297.700057333333	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M-3H"	-3.021828
"503573"	447.053724	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M-3H"	-3.021828
"886319"	148.346390666667	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-3H"	-3.021828
"4894"	447.053724	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M-2H"	-2.014552
"440687"	671.084224	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M-2H"	-2.014552
"825536"	223.023224	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-2H"	-2.014552
"84435"	895.114724	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M-H"	-1.007276
"525092"	1343.175724	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M-H"	-1.007276
"899612"	447.053724	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-H"	-1.007276
"52894"	912.141271	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M-2H+NH4"	16.019271
"499383"	1360.202271	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M-2H+NH4"	16.019271
"871352"	464.080271	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-2H+NH4"	16.019271
"38161"	917.096666	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M-2H+Na"	20.974666
"481002"	1365.157666	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M-2H+Na"	20.974666
"858803"	469.035666	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-2H+Na"	20.974666
"1628337"	469.035666	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Na-2H"	20.974666
"101581"	465.042063	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M-H+Cl"	33.962126
"541141"	689.072563	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M-H+Cl"	33.962126
"931377"	241.011563	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-H+Cl"	33.962126
"275401"	931.091402	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+Cl"	34.969402
"663448"	1379.152402	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+Cl"	34.969402
"1276946"	483.030402	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Cl"	34.969402
"20595"	933.070606	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M-2H+K"	36.948606
"460888"	1381.131606	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M-2H+K"	36.948606
"836140"	485.009606	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-2H+K"	36.948606
"1557072"	485.009606	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+K-2H"	36.948606
"944954"	493.059194	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-H+HCOOH"	44.998194
"363170"	941.120201	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+HCOOH-H"	44.998201
"348516"	955.135851	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+Hac-H"	59.013851
"1498444"	507.074851	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Hac-H"	59.013851
"961975"	515.041151	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-H+NaCOOH"	66.980151
"113070"	483.030402	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+2Cl"	69.938804
"552630"	707.060902	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+2Cl"	69.938804
"1026169"	258.999902	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2Cl"	69.938804
"1241734"	526.979885	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Br"	78.918885
"1308193"	529.035872	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Cl+HCOOH"	80.974872
"1320218"	551.017829	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Cl+NaCOOH"	102.956829
"921122"	561.046586	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M-H+CF3COOH"	112.985586
"1291997"	597.023264	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Cl+CF3COOH"	148.962264
"1368335"	413.048324	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H-2H2O"	-35.012676
"1384743"	431.0583	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H-H2O"	-17.0027
"285158"	897.129276	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+H"	1.007276
"679406"	1345.190276	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+H"	1.007276
"1354658"	449.068276	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H"	1.007276
"134845"	449.068276	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+2H"	2.014552
"571126"	673.098776	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+2H"	2.014552
"1043205"	225.037776	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2H"	2.014552
"212199"	299.714609333333	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+3H"	3.021828
"647382"	449.068276	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+3H"	3.021828
"1167697"	150.360942666667	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+3H"	3.021828
"427688"	914.155823	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+NH4"	18.033823
"786864"	1362.216823	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+NH4"	18.033823
"1691582"	466.094823	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+NH4"	18.033823
"338768"	457.5815495	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+H+NH4"	19.041099
"732284"	681.6120495	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+H+NH4"	19.041099
"1486103"	233.5510495	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H+NH4"	19.041099
"398590"	919.111218	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+Na"	22.989218
"760313"	1367.172218	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+Na"	22.989218
"1608412"	471.050218	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Na"	22.989218
"321729"	460.059247	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+H+Na"	23.996494
"715241"	684.089747	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+H+Na"	23.996494
"1464686"	236.028747	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H+Na"	23.996494
"1055745"	157.688256666667	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2H+Na"	25.00377
"1260704"	481.094486	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+CH3OH+H"	33.033486
"381465"	935.085158	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+K"	38.963158
"744652"	1383.146158	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+K"	38.963158
"1546705"	487.024158	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+K"	38.963158
"303888"	468.046217	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+H+K"	39.970434
"694120"	692.076717	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+H+K"	39.970434
"1449037"	244.015717	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H+K"	39.970434
"240920"	938.155826	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+ACN+H"	42.033826
"1216916"	490.094826	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+ACN+H"	42.033826
"1199704"	245.551051	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+ACN+2H"	43.041102
"195855"	941.09316	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+2Na-H"	44.97116
"634322"	1389.15416	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+2Na-H"	44.97116
"1136735"	493.03216	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2Na-H"	44.97116
"184768"	471.050218	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+2Na"	45.978436
"621776"	695.080718	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+2Na"	45.978436
"1123094"	247.019718	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2Na"	45.978436
"1407715"	165.015570666667	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H+2Na"	46.985712
"1436549"	495.073746	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H+HCOOH"	47.012746
"222964"	476.08324	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+3H2O+2H"	56.04448
"1510054"	509.12579	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+IsoProp+H"	61.06479
"409371"	479.037188	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+Na+K"	61.952376
"773895"	703.067688	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+Na+K"	61.952376
"1668039"	255.006688	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Na+K"	61.952376
"252123"	960.137768	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+ACN+Na"	64.015768
"1228358"	512.076768	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+ACN+Na"	64.015768
"1713597"	512.100293	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+NH4+HCOOH"	64.039293
"1179314"	172.342884666667	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+3Na"	68.967654
"1651877"	517.055688	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Na+HCOOH"	68.994688
"158868"	973.04104	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+2K-H"	76.91904
"606576"	1421.10204	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+2K-H"	76.91904
"1094371"	524.98004	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2K-H"	76.91904
"151555"	487.024158	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"2M+2K"	77.926316
"594393"	711.054658	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"3M+2K"	77.926316
"1078910"	262.993658	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2K"	77.926316
"1110296"	526.994592	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2K+H"	78.933592
"1344858"	527.082207	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+DMSO+H"	79.021207
"1014482"	531.121376	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2ACN+H"	83.060376
"1529331"	532.115008	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+IsoProp+Na+H"	84.054008
"996871"	266.064326	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+2ACN+2H"	84.067652
"1588457"	533.029628	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+K+HCOOH"	84.968628
"1418128"	563.061138	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+H+CF3COOH"	115.000138
"1149511"	286.577601	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+3ACN+2H"	125.094202
"1708903"	580.087685	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+NH4+CF3COOH"	132.026685
"1646739"	585.04308	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+Na+CF3COOH"	136.98208
"1578016"	601.01702	"C05837"	"Glucobrassicin;Indolylmethyl glucosinolate"	"C16H20N2O9S2"	"448.061"	"M+K+CF3COOH"	152.95602
"813853"	164.0473	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M"	0
"986295"	145.02891	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"74534"	108.357590666667	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"508628"	163.040024	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"886429"	53.6751573333333	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"7191"	163.040024	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"442013"	245.063674	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"826740"	81.016374	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"84546"	327.087324	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"521922"	491.134624	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"897536"	163.040024	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"51911"	344.113871	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"495846"	508.161171	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"864899"	180.066571	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"38269"	349.069266	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"482205"	513.116566	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"861097"	185.021966	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1626261"	185.021966	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"102789"	181.028363	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"542347"	263.052013	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"933677"	99.004713	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"274421"	363.064002	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"669027"	527.111302	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1278514"	199.016702	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"21070"	365.043206	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"462091"	529.090506	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"838801"	200.995906	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1558276"	200.995906	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"943245"	209.045494	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"362916"	373.092801	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"347529"	387.108451	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1492959"	223.061151	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"959533"	231.027451	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"110992"	199.016702	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"549967"	281.040352	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1024455"	116.993052	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1243668"	242.966185	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1308303"	245.022172	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1319998"	267.004129	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"915765"	277.032886	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1288902"	313.009564	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1368080"	129.034624	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1384489"	147.0446	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"285269"	329.101876	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"679152"	493.149176	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1354406"	165.054576	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"134955"	165.054576	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"573423"	247.078226	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1043315"	83.030926	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"214496"	110.372142666667	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"648586"	165.054576	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1169994"	55.6897093333333	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"429985"	346.128423	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"789889"	510.175723	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1691692"	182.081123	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"339971"	173.5678495	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"733487"	255.5914995	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1484026"	91.5441995	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"398335"	351.083818	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"759330"	515.131118	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1607429"	187.036518	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"319652"	176.045547	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"710977"	258.069197	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1464796"	94.021897	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1056218"	63.0170233333333	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1258262"	197.080786	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"380481"	367.057758	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"743668"	531.105058	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1543899"	203.010458	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"302905"	184.032517	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"693500"	266.056167	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1449147"	102.008867	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"241030"	370.128426	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1219214"	206.081126	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1203097"	103.544201	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"193780"	373.06576	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"633341"	537.11306	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1143407"	209.01846	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"182324"	187.036518	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"622980"	269.060168	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1125392"	105.012868	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1407826"	70.3443373333333	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1437754"	211.060046	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"225262"	192.06954	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1514417"	225.11209	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"411548"	195.023488	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"777287"	277.047138	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1669243"	112.999838	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"252233"	392.110368	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1227374"	228.063068	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1714070"	228.086593	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1179425"	77.6716513333333	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1651506"	233.041988	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"159095"	405.01364	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"598903"	569.06094	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1097396"	240.96634	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"149116"	203.010458	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"595232"	285.034108	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1076470"	120.986808	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1110770"	242.980892	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1343877"	243.068507	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1014593"	247.107676	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1526160"	248.101308	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"996982"	124.057476	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1595859"	249.015928	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1416050"	279.047438	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1155087"	144.570751	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1705732"	296.073985	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1640288"	301.02938	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1578126"	317.00332	"C05838"	"cis-2-Hydroxycinnamate;2-Coumarinate"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"813964"	326.1002	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M"	0
"986404"	307.08181	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-H2O-H"	-19.01839
"71365"	216.392857333333	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M-3H"	-3.021828
"505459"	325.092924	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M-3H"	-3.021828
"883260"	107.692790666667	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-3H"	-3.021828
"8396"	325.092924	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M-2H"	-2.014552
"443583"	488.143024	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M-2H"	-2.014552
"826850"	162.042824	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-2H"	-2.014552
"84656"	651.193124	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M-H"	-1.007276
"522032"	977.293324	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M-H"	-1.007276
"897646"	325.092924	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-H"	-1.007276
"50928"	668.219671	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M-2H+NH4"	16.019271
"495956"	994.319871	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M-2H+NH4"	16.019271
"866102"	342.119471	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-2H+NH4"	16.019271
"36192"	673.175066	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M-2H+Na"	20.974666
"476846"	999.275266	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M-2H+Na"	20.974666
"852459"	347.074866	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-2H+Na"	20.974666
"1625278"	347.074866	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Na-2H"	20.974666
"101801"	343.081263	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M-H+Cl"	33.962126
"540269"	506.131363	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M-H+Cl"	33.962126
"932689"	180.031163	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-H+Cl"	33.962126
"271979"	687.169802	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+Cl"	34.969402
"666221"	1013.270002	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+Cl"	34.969402
"1277531"	361.069602	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Cl"	34.969402
"21180"	689.149006	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M-2H+K"	36.948606
"463659"	1015.249206	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M-2H+K"	36.948606
"839641"	363.048806	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-2H+K"	36.948606
"1559480"	363.048806	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+K-2H"	36.948606
"945907"	371.098394	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-H+HCOOH"	44.998194
"367769"	697.198601	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+HCOOH-H"	44.998201
"349099"	711.214251	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+Hac-H"	59.013851
"1494651"	385.114051	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Hac-H"	59.013851
"958750"	393.080351	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-H+NaCOOH"	66.980151
"111102"	361.069602	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+2Cl"	69.938804
"550018"	524.119702	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+2Cl"	69.938804
"1022134"	198.019502	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2Cl"	69.938804
"1241628"	405.019085	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Br"	78.918885
"1308047"	407.075072	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Cl+HCOOH"	80.974872
"1319946"	429.057029	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Cl+NaCOOH"	102.956829
"911409"	439.085786	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M-H+CF3COOH"	112.985586
"1288931"	475.062464	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Cl+CF3COOH"	148.962264
"1367576"	291.087524	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H-2H2O"	-35.012676
"1384597"	309.0975	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H-H2O"	-17.0027
"283546"	653.207676	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+H"	1.007276
"680351"	979.307876	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+H"	1.007276
"1355609"	327.107476	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H"	1.007276
"129597"	327.107476	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+2H"	2.014552
"570250"	490.157576	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+2H"	2.014552
"1044517"	164.057376	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2H"	2.014552
"211325"	218.407409333333	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+3H"	3.021828
"651977"	327.107476	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+3H"	3.021828
"1170104"	109.707342666667	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+3H"	3.021828
"429002"	670.234223	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+NH4"	18.033823
"788906"	996.334423	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+NH4"	18.033823
"1692896"	344.134023	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+NH4"	18.033823
"337895"	335.6207495	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+H+NH4"	19.041099
"732504"	498.6708495	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+H+NH4"	19.041099
"1484136"	172.5706495	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H+NH4"	19.041099
"397352"	675.189618	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+Na"	22.989218
"759440"	1001.289818	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+Na"	22.989218
"1607539"	349.089418	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Na"	22.989218
"319762"	338.098447	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+H+Na"	23.996494
"713274"	501.148547	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+H+Na"	23.996494
"1464907"	175.048347	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H+Na"	23.996494
"1054872"	117.034656666667	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2H+Na"	25.00377
"1259101"	359.133686	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+CH3OH+H"	33.033486
"381684"	691.163558	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+K"	38.963158
"739277"	1017.263758	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+K"	38.963158
"1541811"	365.063358	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+K"	38.963158
"299115"	346.085417	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+H+K"	39.970434
"693233"	509.135517	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+H+K"	39.970434
"1447419"	183.035317	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H+K"	39.970434
"236993"	694.234226	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+ACN+H"	42.033826
"1211524"	368.134026	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+ACN+H"	42.033826
"1194812"	184.570651	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+ACN+2H"	43.041102
"192791"	697.17156	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+2Na-H"	44.97116
"632355"	1023.27176	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+2Na-H"	44.97116
"1142423"	371.07136	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2Na-H"	44.97116
"179154"	349.089418	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+2Na"	45.978436
"624183"	512.139518	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+2Na"	45.978436
"1124409"	186.039318	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2Na"	45.978436
"1410123"	124.361970666667	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H+2Na"	46.985712
"1438957"	373.112946	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H+HCOOH"	47.012746
"226465"	354.12244	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+3H2O+2H"	56.04448
"1514527"	387.16499	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+IsoProp+H"	61.06479
"410564"	357.076388	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+Na+K"	61.952376
"780677"	520.126488	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+Na+K"	61.952376
"1670446"	194.026288	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Na+K"	61.952376
"252224"	716.216168	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+ACN+Na"	64.015768
"1226756"	390.115968	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+ACN+Na"	64.015768
"1713818"	390.139493	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+NH4+HCOOH"	64.039293
"1179171"	131.689284666667	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+3Na"	68.967654
"1652710"	395.094888	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Na+HCOOH"	68.994688
"158595"	729.11944	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+2K-H"	76.91904
"598649"	1055.21964	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+2K-H"	76.91904
"1094591"	403.01924	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2K-H"	76.91904
"152868"	365.063358	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"2M+2K"	77.926316
"592062"	528.113458	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"3M+2K"	77.926316
"1077673"	202.013258	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2K"	77.926316
"1108694"	405.033792	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2K+H"	78.933592
"1343987"	405.121407	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+DMSO+H"	79.021207
"1013609"	409.160576	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2ACN+H"	83.060376
"1530642"	410.154208	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+IsoProp+Na+H"	84.054008
"995998"	205.083926	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+2ACN+2H"	84.067652
"1595969"	411.068828	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+K+HCOOH"	84.968628
"1424909"	441.100338	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+H+CF3COOH"	115.000138
"1155198"	225.597201	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+3ACN+2H"	125.094202
"1705842"	458.126885	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+NH4+CF3COOH"	132.026685
"1640398"	463.08228	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+Na+CF3COOH"	136.98208
"1578236"	479.05622	"C05839"	"cis-beta-D-Glucosyl-2-hydroxycinnamate;beta-D-Glucosyl-2-coumarinate"	"C15H18O8"	"326.1002"	"M+K+CF3COOH"	152.95602
"808605"	131.0219	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M"	0
"986514"	112.00351	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-H2O-H"	-19.01839
"71475"	86.3406573333333	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M-3H"	-3.021828
"507026"	130.014624	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M-3H"	-3.021828
"883734"	42.6666906666667	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-3H"	-3.021828
"8506"	130.014624	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M-2H"	-2.014552
"445880"	195.525574	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M-2H"	-2.014552
"823680"	64.503674	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-2H"	-2.014552
"85859"	261.036524	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M-H"	-1.007276
"522142"	392.058424	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M-H"	-1.007276
"899943"	130.014624	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-H"	-1.007276
"52131"	278.063071	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M-2H+NH4"	16.019271
"490598"	409.084971	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M-2H+NH4"	16.019271
"868399"	147.041171	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-2H+NH4"	16.019271
"36302"	283.018466	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M-2H+Na"	20.974666
"478050"	414.040366	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M-2H+Na"	20.974666
"854756"	151.996566	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-2H+Na"	20.974666
"1628664"	151.996566	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Na-2H"	20.974666
"104099"	148.002963	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M-H+Cl"	33.962126
"541473"	213.513913	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M-H+Cl"	33.962126
"932799"	82.492013	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-H+Cl"	33.962126
"272454"	297.013202	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+Cl"	34.969402
"666331"	428.035102	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+Cl"	34.969402
"1276913"	165.991302	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Cl"	34.969402
"22384"	298.992406	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M-2H+K"	36.948606
"465958"	430.014306	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M-2H+K"	36.948606
"839751"	167.970506	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-2H+K"	36.948606
"1562870"	167.970506	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+K-2H"	36.948606
"948933"	176.020094	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-H+HCOOH"	44.998194
"368970"	307.042001	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+HCOOH-H"	44.998201
"351399"	321.057651	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+Hac-H"	59.013851
"1497318"	190.035751	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Hac-H"	59.013851
"959753"	198.002051	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-H+NaCOOH"	66.980151
"112307"	165.991302	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+2Cl"	69.938804
"550402"	231.502252	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+2Cl"	69.938804
"1023582"	100.480352	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2Cl"	69.938804
"1246075"	209.940785	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Br"	78.918885
"1307793"	211.996772	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Cl+HCOOH"	80.974872
"1320914"	233.978729	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Cl+NaCOOH"	102.956829
"914526"	244.007486	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M-H+CF3COOH"	112.985586
"1289167"	279.984164	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Cl+CF3COOH"	148.962264
"1368423"	96.009224	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H-2H2O"	-35.012676
"1390541"	114.0192	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H-H2O"	-17.0027
"284878"	263.051076	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+H"	1.007276
"680462"	394.072976	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+H"	1.007276
"1354625"	132.029176	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H"	1.007276
"136267"	132.029176	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+2H"	2.014552
"576921"	197.540126	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+2H"	2.014552
"1047908"	66.518226	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2H"	2.014552
"212527"	88.3552093333333	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+3H"	3.021828
"657557"	132.029176	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+3H"	3.021828
"1171309"	44.6812426666667	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+3H"	3.021828
"432395"	280.077623	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+NH4"	18.033823
"792296"	411.099523	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+NH4"	18.033823
"1693006"	149.055723	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+NH4"	18.033823
"342379"	140.5424495	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+H+NH4"	19.041099
"734800"	206.0533995	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+H+NH4"	19.041099
"1487526"	75.0314995	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H+NH4"	19.041099
"399649"	285.033018	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+Na"	22.989218
"758457"	416.054918	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+Na"	22.989218
"1610929"	154.011118	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Na"	22.989218
"319873"	143.020147	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+H+Na"	23.996494
"715572"	208.531097	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+H+Na"	23.996494
"1468298"	77.509197	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H+Na"	23.996494
"1057534"	52.0085566666667	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2H+Na"	25.00377
"1262128"	164.055386	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+CH3OH+H"	33.033486
"382890"	301.006958	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+K"	38.963158
"741699"	432.028858	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+K"	38.963158
"1543017"	169.985058	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+K"	38.963158
"299833"	151.007117	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+H+K"	39.970434
"693708"	216.518067	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+H+K"	39.970434
"1448263"	85.496167	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H+K"	39.970434
"238323"	304.077626	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+ACN+H"	42.033826
"1212126"	173.055726	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+ACN+H"	42.033826
"1201485"	87.031501	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+ACN+2H"	43.041102
"192172"	307.01496	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+2Na-H"	44.97116
"633559"	438.03686	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+2Na-H"	44.97116
"1140347"	175.99306	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2Na-H"	44.97116
"179264"	154.011118	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+2Na"	45.978436
"626116"	219.522068	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+2Na"	45.978436
"1127799"	88.500168	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2Na"	45.978436
"1412419"	59.3358706666667	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H+2Na"	46.985712
"1440159"	178.034646	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H+HCOOH"	47.012746
"228764"	159.04414	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+3H2O+2H"	56.04448
"1517917"	192.08669	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+IsoProp+H"	61.06479
"417602"	161.998088	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+Na+K"	61.952376
"779692"	227.509038	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+Na+K"	61.952376
"1672742"	96.487138	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Na+K"	61.952376
"258168"	326.059568	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+ACN+Na"	64.015768
"1236344"	195.037668	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+ACN+Na"	64.015768
"1725229"	195.061193	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+NH4+HCOOH"	64.039293
"1191676"	66.6631846666667	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+3Na"	68.967654
"1656102"	200.016588	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Na+HCOOH"	68.994688
"162963"	338.96284	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+2K-H"	76.91904
"599365"	469.98474	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+2K-H"	76.91904
"1089236"	207.94094	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2K-H"	76.91904
"147148"	169.985058	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"2M+2K"	77.926316
"588166"	235.496008	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"3M+2K"	77.926316
"1074504"	104.474108	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2K"	77.926316
"1104430"	209.955492	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2K+H"	78.933592
"1338628"	210.043107	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+DMSO+H"	79.021207
"1010439"	214.082276	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2ACN+H"	83.060376
"1529660"	215.075908	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+IsoProp+Na+H"	84.054008
"993921"	107.544776	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+2ACN+2H"	84.067652
"1594986"	215.990528	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+K+HCOOH"	84.968628
"1422833"	246.022038	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+H+CF3COOH"	115.000138
"1152028"	128.058051	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+3ACN+2H"	125.094202
"1705952"	263.048585	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+NH4+CF3COOH"	132.026685
"1640508"	268.00398	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+Na+CF3COOH"	136.98208
"1578346"	283.97792	"C05840"	"Iminoaspartate;Iminoaspartic acid;Iminosuccinate"	"C4H5NO4"	"131.0219"	"M+K+CF3COOH"	152.95602
"808715"	256.0821	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M"	0
"985532"	237.06371	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-H2O-H"	-19.01839
"73772"	169.714124	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M-3H"	-3.021828
"506773"	255.074824	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M-3H"	-3.021828
"884573"	84.353424	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-3H"	-3.021828
"6429"	255.074824	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M-2H"	-2.014552
"447083"	383.115874	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M-2H"	-2.014552
"824883"	127.033774	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-2H"	-2.014552
"85969"	511.156924	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M-H"	-1.007276
"525532"	767.239024	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M-H"	-1.007276
"902239"	255.074824	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-H"	-1.007276
"56614"	528.183471	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M-2H+NH4"	16.019271
"492894"	784.265571	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M-2H+NH4"	16.019271
"867415"	272.101371	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-2H+NH4"	16.019271
"40784"	533.138866	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M-2H+Na"	20.974666
"481438"	789.220966	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M-2H+Na"	20.974666
"854866"	277.056766	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-2H+Na"	20.974666
"1627680"	277.056766	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Na-2H"	20.974666
"105302"	273.063163	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M-H+Cl"	33.962126
"544863"	401.104213	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M-H+Cl"	33.962126
"932909"	145.022113	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-H+Cl"	33.962126
"277301"	547.133602	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+Cl"	34.969402
"667170"	803.215702	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+Cl"	34.969402
"1278845"	291.051502	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Cl"	34.969402
"21401"	549.112806	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M-2H+K"	36.948606
"466066"	805.194906	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M-2H+K"	36.948606
"841684"	293.030706	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-2H+K"	36.948606
"1562984"	293.030706	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+K-2H"	36.948606
"950867"	301.080294	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-H+HCOOH"	44.998194
"368352"	557.162401	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+HCOOH-H"	44.998201
"356247"	571.178051	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+Hac-H"	59.013851
"1498521"	315.095951	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Hac-H"	59.013851
"958765"	323.062251	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-H+NaCOOH"	66.980151
"110955"	291.051502	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+2Cl"	69.938804
"549989"	419.092552	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+2Cl"	69.938804
"1021542"	163.010452	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2Cl"	69.938804
"1242540"	335.000985	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Br"	78.918885
"1304621"	337.056972	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Cl+HCOOH"	80.974872
"1322483"	359.038929	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Cl+NaCOOH"	102.956829
"914636"	369.067686	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M-H+CF3COOH"	112.985586
"1290613"	405.044364	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Cl+CF3COOH"	148.962264
"1367804"	221.069424	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H-2H2O"	-35.012676
"1383358"	239.0794	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H-H2O"	-17.0027
"282955"	513.171476	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+H"	1.007276
"676558"	769.253576	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+H"	1.007276
"1354736"	257.089376	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H"	1.007276
"139658"	257.089376	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+2H"	2.014552
"579218"	385.130426	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+2H"	2.014552
"1049111"	129.048326	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2H"	2.014552
"217374"	171.728676	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+3H"	3.021828
"657667"	257.089376	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+3H"	3.021828
"1173604"	86.367976	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+3H"	3.021828
"436876"	530.198023	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+NH4"	18.033823
"792407"	786.280123	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+NH4"	18.033823
"1689836"	274.115923	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+NH4"	18.033823
"344313"	265.6026495	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+H+NH4"	19.041099
"736006"	393.6436995	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+H+NH4"	19.041099
"1490554"	137.5615995	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H+NH4"	19.041099
"397573"	535.153418	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+Na"	22.989218
"764034"	791.235518	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+Na"	22.989218
"1611040"	279.071318	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Na"	22.989218
"319983"	268.080347	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+H+Na"	23.996494
"714589"	396.121397	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+H+Na"	23.996494
"1468408"	140.039297	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H+Na"	23.996494
"1057280"	93.69529	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2H+Na"	25.00377
"1262239"	289.115586	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+CH3OH+H"	33.033486
"386280"	551.127358	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+K"	38.963158
"742902"	807.209458	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+K"	38.963158
"1543128"	295.045258	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+K"	38.963158
"300309"	276.067317	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+H+K"	39.970434
"694552"	404.108367	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+H+K"	39.970434
"1447276"	148.026267	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H+K"	39.970434
"239161"	554.198026	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+ACN+H"	42.033826
"1210778"	298.115926	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+ACN+H"	42.033826
"1199043"	149.561601	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+ACN+2H"	43.041102
"193010"	557.13536	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+2Na-H"	44.97116
"632204"	813.21746	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+2Na-H"	44.97116
"1138264"	301.05326	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2Na-H"	44.97116
"180461"	279.071318	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+2Na"	45.978436
"627441"	407.112368	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+2Na"	45.978436
"1127909"	151.030268	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2Na"	45.978436
"1413502"	101.022604	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H+2Na"	46.985712
"1443550"	303.094846	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H+HCOOH"	47.012746
"225595"	284.10434	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+3H2O+2H"	56.04448
"1516935"	317.14689	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+IsoProp+H"	61.06479
"419900"	287.058288	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+Na+K"	61.952376
"780897"	415.099338	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+Na+K"	61.952376
"1673946"	159.017238	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Na+K"	61.952376
"257184"	576.179968	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+ACN+Na"	64.015768
"1232080"	320.097868	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+ACN+Na"	64.015768
"1719871"	320.121393	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+NH4+HCOOH"	64.039293
"1187412"	108.349918	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+3Na"	68.967654
"1657305"	325.076788	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Na+HCOOH"	68.994688
"164166"	589.08324	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+2K-H"	76.91904
"603727"	845.16534	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+2K-H"	76.91904
"1093717"	333.00114	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2K-H"	76.91904
"149440"	295.045258	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"2M+2K"	77.926316
"590828"	423.086308	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"3M+2K"	77.926316
"1073521"	167.004208	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2K"	77.926316
"1104542"	335.015692	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2K+H"	78.933592
"1340925"	335.103307	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+DMSO+H"	79.021207
"1012735"	339.142476	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2ACN+H"	83.060376
"1531957"	340.136108	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+IsoProp+Na+H"	84.054008
"997313"	170.074876	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+2ACN+2H"	84.067652
"1598377"	341.050728	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+K+HCOOH"	84.968628
"1424767"	371.082238	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+H+CF3COOH"	115.000138
"1152138"	190.588151	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+3ACN+2H"	125.094202
"1708249"	388.108785	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+NH4+CF3COOH"	132.026685
"1640618"	393.06418	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+Na+CF3COOH"	136.98208
"1578456"	409.03812	"C05841"	"Nicotinate D-ribonucleoside;beta-D-Ribosylnicotinate"	"C11H14NO6"	"256.0821"	"M+K+CF3COOH"	152.95602
"805545"	152.0586	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M"	0
"985639"	133.04021	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-H2O-H"	-19.01839
"71694"	100.365124	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M-3H"	-3.021828
"507611"	151.051324	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M-3H"	-3.021828
"882860"	49.678924	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-3H"	-3.021828
"4352"	151.051324	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M-2H"	-2.014552
"447192"	227.080624	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M-2H"	-2.014552
"821713"	75.022024	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-2H"	-2.014552
"86078"	303.109924	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M-H"	-1.007276
"525642"	455.168524	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M-H"	-1.007276
"902349"	151.051324	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-H"	-1.007276
"56724"	320.136471	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M-2H+NH4"	16.019271
"491911"	472.195071	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M-2H+NH4"	16.019271
"866432"	168.077871	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-2H+NH4"	16.019271
"43081"	325.091866	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M-2H+Na"	20.974666
"478268"	477.150466	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M-2H+Na"	20.974666
"854976"	173.033266	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-2H+Na"	20.974666
"1627790"	173.033266	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Na-2H"	20.974666
"105412"	169.039663	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M-H+Cl"	33.962126
"544972"	245.068963	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M-H+Cl"	33.962126
"933019"	93.010363	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-H+Cl"	33.962126
"275953"	339.086602	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+Cl"	34.969402
"666187"	491.145202	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+Cl"	34.969402
"1278226"	187.028002	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Cl"	34.969402
"21145"	341.065806	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M-2H+K"	36.948606
"465083"	493.124406	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M-2H+K"	36.948606
"836327"	189.007206	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-2H+K"	36.948606
"1560908"	189.007206	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+K-2H"	36.948606
"949884"	197.056794	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-H+HCOOH"	44.998194
"367005"	349.115401	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+HCOOH-H"	44.998201
"354171"	363.131051	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+Hac-H"	59.013851
"1493527"	211.072451	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Hac-H"	59.013851
"958879"	219.038751	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-H+NaCOOH"	66.980151
"110458"	187.028002	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+2Cl"	69.938804
"550216"	263.057302	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+2Cl"	69.938804
"1022220"	110.998702	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2Cl"	69.938804
"1243013"	230.977485	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Br"	78.918885
"1304202"	233.033472	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Cl+HCOOH"	80.974872
"1322230"	255.015429	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Cl+NaCOOH"	102.956829
"914017"	265.044186	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M-H+CF3COOH"	112.985586
"1291090"	301.020864	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Cl+CF3COOH"	148.962264
"1369617"	117.045924	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H-2H2O"	-35.012676
"1384560"	135.0559	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H-H2O"	-17.0027
"282986"	305.124476	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+H"	1.007276
"675852"	457.183076	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+H"	1.007276
"1359222"	153.065876	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H"	1.007276
"135397"	153.065876	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+2H"	2.014552
"574956"	229.095176	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+2H"	2.014552
"1049952"	77.036576	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2H"	2.014552
"209468"	102.379676	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+3H"	3.021828
"657413"	153.065876	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+3H"	3.021828
"1170436"	51.693476	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+3H"	3.021828
"433709"	322.151023	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+NH4"	18.033823
"791424"	474.209623	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+NH4"	18.033823
"1692497"	170.092423	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+NH4"	18.033823
"342234"	161.5791495	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+H+NH4"	19.041099
"737576"	237.6084495	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+H+NH4"	19.041099
"1490301"	85.5498495	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H+NH4"	19.041099
"397683"	327.106418	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+Na"	22.989218
"760864"	479.165018	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+Na"	22.989218
"1612244"	175.047818	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Na"	22.989218
"322279"	164.056847	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+H+Na"	23.996494
"714699"	240.086147	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+H+Na"	23.996494
"1468518"	88.027547	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H+Na"	23.996494
"1058484"	59.02079	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2H+Na"	25.00377
"1262349"	185.092086	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+CH3OH+H"	33.033486
"384203"	343.080358	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+K"	38.963158
"744105"	495.138958	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+K"	38.963158
"1542511"	191.021758	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+K"	38.963158
"299690"	172.043817	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+H+K"	39.970434
"693569"	248.073117	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+H+K"	39.970434
"1448844"	96.014517	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H+K"	39.970434
"237812"	346.151026	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+ACN+H"	42.033826
"1210524"	194.092426	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+ACN+H"	42.033826
"1195265"	97.549851	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+ACN+2H"	43.041102
"193120"	349.08836	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+2Na-H"	44.97116
"629639"	501.14696	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+2Na-H"	44.97116
"1137280"	197.02976	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2Na-H"	44.97116
"180571"	175.047818	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+2Na"	45.978436
"625606"	251.077118	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+2Na"	45.978436
"1129112"	99.018518	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2Na"	45.978436
"1413611"	66.348104	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H+2Na"	46.985712
"1445041"	199.071346	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H+HCOOH"	47.012746
"228984"	180.08084	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+3H2O+2H"	56.04448
"1519232"	213.12339	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+IsoProp+H"	61.06479
"422198"	183.034788	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+Na+K"	61.952376
"778820"	259.064088	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+Na+K"	61.952376
"1674056"	107.005488	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Na+K"	61.952376
"258388"	368.132968	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+ACN+Na"	64.015768
"1231097"	216.074368	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+ACN+Na"	64.015768
"1718887"	216.097893	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+NH4+HCOOH"	64.039293
"1184241"	73.675418	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+3Na"	68.967654
"1654134"	221.053288	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Na+HCOOH"	68.994688
"164276"	381.03624	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+2K-H"	76.91904
"599463"	533.09484	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+2K-H"	76.91904
"1087624"	228.97764	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2K-H"	76.91904
"149546"	191.021758	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"2M+2K"	77.926316
"592395"	267.051058	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"3M+2K"	77.926316
"1075814"	114.992458	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2K"	77.926316
"1109023"	230.992192	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2K+H"	78.933592
"1339941"	231.079807	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+DMSO+H"	79.021207
"1011751"	235.118976	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2ACN+H"	83.060376
"1535346"	236.112608	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+IsoProp+Na+H"	84.054008
"1000702"	118.063126	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+2ACN+2H"	84.067652
"1599580"	237.027228	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+K+HCOOH"	84.968628
"1424149"	267.058738	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+H+CF3COOH"	115.000138
"1155528"	138.576401	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+3ACN+2H"	125.094202
"1708359"	284.085285	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+NH4+CF3COOH"	132.026685
"1640728"	289.04068	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+Na+CF3COOH"	136.98208
"1578566"	305.01462	"C05842"	"N1-Methyl-2-pyridone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;1-Methyl-5-carboxylamide-2-pyridone"	"C7H8N2O2"	"152.0586"	"M+K+CF3COOH"	152.95602
"811123"	152.0586	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M"	0
"986844"	133.04021	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-H2O-H"	-19.01839
"71804"	100.365124	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M-3H"	-3.021828
"508088"	151.051324	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M-3H"	-3.021828
"884793"	49.678924	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-3H"	-3.021828
"5552"	151.051324	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M-2H"	-2.014552
"445113"	227.080624	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M-2H"	-2.014552
"821820"	75.022024	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-2H"	-2.014552
"85095"	303.109924	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M-H"	-1.007276
"526846"	455.168524	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M-H"	-1.007276
"905741"	151.051324	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-H"	-1.007276
"57927"	320.136471	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M-2H+NH4"	16.019271
"495302"	472.195071	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M-2H+NH4"	16.019271
"872010"	168.077871	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-2H+NH4"	16.019271
"38817"	325.091866	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M-2H+Na"	20.974666
"478378"	477.150466	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M-2H+Na"	20.974666
"852899"	173.033266	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-2H+Na"	20.974666
"1628993"	173.033266	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Na-2H"	20.974666
"103335"	169.039663	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M-H+Cl"	33.962126
"541802"	245.068963	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M-H+Cl"	33.962126
"929120"	93.010363	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-H+Cl"	33.962126
"273876"	339.086602	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+Cl"	34.969402
"661921"	491.145202	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+Cl"	34.969402
"1277971"	187.028002	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Cl"	34.969402
"20160"	341.065806	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M-2H+K"	36.948606
"460817"	493.124406	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M-2H+K"	36.948606
"838624"	189.007206	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-2H+K"	36.948606
"1564298"	189.007206	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+K-2H"	36.948606
"952181"	197.056794	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-H+HCOOH"	44.998194
"370395"	349.115401	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+HCOOH-H"	44.998201
"356468"	363.131051	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+Hac-H"	59.013851
"1499835"	211.072451	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Hac-H"	59.013851
"959233"	219.038751	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-H+NaCOOH"	66.980151
"111546"	187.028002	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+2Cl"	69.938804
"550210"	263.057302	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+2Cl"	69.938804
"1023181"	110.998702	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2Cl"	69.938804
"1243124"	230.977485	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Br"	78.918885
"1305936"	233.033472	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Cl+HCOOH"	80.974872
"1326351"	255.015429	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Cl+NaCOOH"	102.956829
"919596"	265.044186	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M-H+CF3COOH"	112.985586
"1293023"	301.020864	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Cl+CF3COOH"	148.962264
"1372279"	117.045924	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H-2H2O"	-35.012676
"1384670"	135.0559	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H-H2O"	-17.0027
"287276"	305.124476	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+H"	1.007276
"676251"	457.183076	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+H"	1.007276
"1359332"	153.065876	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H"	1.007276
"135507"	153.065876	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+2H"	2.014552
"575064"	229.095176	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+2H"	2.014552
"1047146"	77.036576	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2H"	2.014552
"212858"	102.379676	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+3H"	3.021828
"654607"	153.065876	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+3H"	3.021828
"1177230"	51.693476	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+3H"	3.021828
"432724"	322.151023	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+NH4"	18.033823
"792626"	474.209623	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+NH4"	18.033823
"1694065"	170.092423	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+NH4"	18.033823
"344532"	161.5791495	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+H+NH4"	19.041099
"736590"	237.6084495	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+H+NH4"	19.041099
"1490411"	85.5498495	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H+NH4"	19.041099
"397795"	327.106418	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+Na"	22.989218
"760975"	479.165018	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+Na"	22.989218
"1610167"	175.047818	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Na"	22.989218
"322389"	164.056847	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+H+Na"	23.996494
"714809"	240.086147	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+H+Na"	23.996494
"1469721"	88.027547	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H+Na"	23.996494
"1059686"	59.02079	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2H+Na"	25.00377
"1262460"	185.092086	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+CH3OH+H"	33.033486
"387593"	343.080358	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+K"	38.963158
"744211"	495.138958	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+K"	38.963158
"1543351"	191.021758	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+K"	38.963158
"305629"	172.043817	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+H+K"	39.970434
"695863"	248.073117	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+H+K"	39.970434
"1447861"	96.014517	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H+K"	39.970434
"239381"	346.151026	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+ACN+H"	42.033826
"1212090"	194.092426	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+ACN+H"	42.033826
"1194479"	97.549851	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+ACN+2H"	43.041102
"193230"	349.08836	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+2Na-H"	44.97116
"630238"	501.14696	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+2Na-H"	44.97116
"1137390"	197.02976	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2Na-H"	44.97116
"179952"	175.047818	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+2Na"	45.978436
"628196"	251.077118	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+2Na"	45.978436
"1130685"	99.018518	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2Na"	45.978436
"1412630"	66.348104	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H+2Na"	46.985712
"1443770"	199.071346	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H+HCOOH"	47.012746
"231280"	180.08084	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+3H2O+2H"	56.04448
"1513875"	213.12339	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+IsoProp+H"	61.06479
"415019"	183.034788	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+Na+K"	61.952376
"778931"	259.064088	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+Na+K"	61.952376
"1676355"	107.005488	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Na+K"	61.952376
"256311"	368.132968	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+ACN+Na"	64.015768
"1235580"	216.074368	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+ACN+Na"	64.015768
"1721185"	216.097893	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+NH4+HCOOH"	64.039293
"1183258"	73.675418	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+3Na"	68.967654
"1656431"	221.053288	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Na+HCOOH"	68.994688
"161106"	381.03624	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+2K-H"	76.91904
"600666"	533.09484	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+2K-H"	76.91904
"1085547"	228.97764	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2K-H"	76.91904
"146376"	191.021758	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"2M+2K"	77.926316
"594326"	267.051058	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"3M+2K"	77.926316
"1080301"	114.992458	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2K"	77.926316
"1112415"	230.992192	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2K+H"	78.933592
"1338957"	231.079807	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+DMSO+H"	79.021207
"1014048"	235.118976	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2ACN+H"	83.060376
"1537642"	236.112608	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+IsoProp+Na+H"	84.054008
"1001906"	118.063126	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+2ACN+2H"	84.067652
"1601999"	237.027228	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+K+HCOOH"	84.968628
"1427174"	267.058738	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+H+CF3COOH"	115.000138
"1157825"	138.576401	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+3ACN+2H"	125.094202
"1710657"	284.085285	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+NH4+CF3COOH"	132.026685
"1644119"	289.04068	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+Na+CF3COOH"	136.98208
"1578676"	305.01462	"C05843"	"N1-Methyl-4-pyridone-5-carboxamide;N-Methyl-4-pyridone-5-carboxamide;1-Methyl-4-pyridone-3-carboximide"	"C7H8N2O2"	"152.0586"	"M+K+CF3COOH"	152.95602
"802485"	254.0573	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M"	0
"982578"	235.03891	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-H2O-H"	-19.01839
"68633"	168.364257333333	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M-3H"	-3.021828
"510380"	253.050024	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M-3H"	-3.021828
"884901"	83.6784906666667	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-3H"	-3.021828
"5663"	253.050024	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M-2H"	-2.014552
"441943"	380.078674	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M-2H"	-2.014552
"819014"	126.021374	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-2H"	-2.014552
"80830"	507.107324	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M-H"	-1.007276
"526956"	761.164624	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M-H"	-1.007276
"905851"	253.050024	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-H"	-1.007276
"56944"	524.133871	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M-2H+NH4"	16.019271
"493225"	778.191171	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M-2H+NH4"	16.019271
"868840"	270.076571	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-2H+NH4"	16.019271
"36740"	529.089266	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M-2H+Na"	20.974666
"478488"	783.146566	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M-2H+Na"	20.974666
"853009"	275.031966	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-2H+Na"	20.974666
"1629833"	275.031966	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Na-2H"	20.974666
"100165"	271.038363	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M-H+Cl"	33.962126
"538632"	398.067013	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M-H+Cl"	33.962126
"929594"	144.009713	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-H+Cl"	33.962126
"271798"	543.084002	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+Cl"	34.969402
"661179"	797.141302	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+Cl"	34.969402
"1277351"	289.026702	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Cl"	34.969402
"18813"	545.063206	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M-2H+K"	36.948606
"460927"	799.120506	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M-2H+K"	36.948606
"845295"	291.005906	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-2H+K"	36.948606
"1563315"	291.005906	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+K-2H"	36.948606
"950104"	299.055494	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-H+HCOOH"	44.998194
"369412"	553.112801	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+HCOOH-H"	44.998201
"351111"	567.128451	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+Hac-H"	59.013851
"1496665"	313.071151	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Hac-H"	59.013851
"958855"	321.037451	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-H+NaCOOH"	66.980151
"112018"	289.026702	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+2Cl"	69.938804
"550034"	416.055352	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+2Cl"	69.938804
"1024018"	161.998052	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2Cl"	69.938804
"1243232"	332.976185	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Br"	78.918885
"1305315"	335.032172	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Cl+HCOOH"	80.974872
"1324275"	357.014129	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Cl+NaCOOH"	102.956829
"919706"	367.042886	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M-H+CF3COOH"	112.985586
"1291674"	403.019564	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Cl+CF3COOH"	148.962264
"1369471"	219.044624	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H-2H2O"	-35.012676
"1383239"	237.0546	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H-H2O"	-17.0027
"283853"	509.121876	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+H"	1.007276
"676524"	763.179176	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+H"	1.007276
"1351365"	255.064576	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H"	1.007276
"134522"	255.064576	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+2H"	2.014552
"574081"	382.093226	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+2H"	2.014552
"1047256"	128.035926	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2H"	2.014552
"212968"	170.378809333333	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+3H"	3.021828
"657633"	255.064576	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+3H"	3.021828
"1176489"	85.6930426666667	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+3H"	3.021828
"435020"	526.148423	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+NH4"	18.033823
"793829"	780.205723	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+NH4"	18.033823
"1694904"	272.091123	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+NH4"	18.033823
"343549"	263.5778495	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+H+NH4"	19.041099
"737434"	390.6064995	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+H+NH4"	19.041099
"1491008"	136.5491995	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H+NH4"	19.041099
"397904"	531.103818	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+Na"	22.989218
"761084"	785.161118	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+Na"	22.989218
"1611370"	277.046518	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Na"	22.989218
"321405"	266.055547	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+H+Na"	23.996494
"716011"	393.084197	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+H+Na"	23.996494
"1466551"	139.026897	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H+Na"	23.996494
"1058701"	93.0203566666667	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2H+Na"	25.00377
"1263663"	287.090786	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+CH3OH+H"	33.033486
"385515"	547.077758	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+K"	38.963158
"742499"	801.135058	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+K"	38.963158
"1544193"	293.020458	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+K"	38.963158
"302460"	274.042517	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+H+K"	39.970434
"694879"	401.071167	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+H+K"	39.970434
"1448699"	147.013867	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H+K"	39.970434
"242771"	550.148426	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+ACN+H"	42.033826
"1212200"	296.091126	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+ACN+H"	42.033826
"1199011"	148.549201	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+ACN+2H"	43.041102
"194069"	553.08576	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+2Na-H"	44.97116
"630349"	807.14306	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+2Na-H"	44.97116
"1137865"	299.02846	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2Na-H"	44.97116
"180063"	277.046518	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+2Na"	45.978436
"627168"	404.075168	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+2Na"	45.978436
"1130310"	150.017868	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2Na"	45.978436
"1411039"	100.347670666667	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H+2Na"	46.985712
"1440599"	301.070046	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H+HCOOH"	47.012746
"227016"	282.07954	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+3H2O+2H"	56.04448
"1514349"	315.12209	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+IsoProp+H"	61.06479
"415129"	285.033488	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+Na+K"	61.952376
"776124"	412.062138	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+Na+K"	61.952376
"1673184"	158.004838	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Na+K"	61.952376
"256421"	572.130368	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+ACN+Na"	64.015768
"1235690"	318.073068	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+ACN+Na"	64.015768
"1722388"	318.096593	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+NH4+HCOOH"	64.039293
"1184460"	107.674984666667	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+3Na"	68.967654
"1655448"	323.051988	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Na+HCOOH"	68.994688
"163403"	585.03364	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+2K-H"	76.91904
"599683"	839.09094	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+2K-H"	76.91904
"1084480"	330.97634	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2K-H"	76.91904
"146486"	293.020458	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"2M+2K"	77.926316
"592250"	420.049108	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"3M+2K"	77.926316
"1079316"	165.991808	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2K"	77.926316
"1112525"	332.990892	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2K+H"	78.933592
"1337974"	333.078507	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+DMSO+H"	79.021207
"1017438"	337.117676	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2ACN+H"	83.060376
"1536658"	338.111308	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+IsoProp+Na+H"	84.054008
"1002016"	169.062476	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+2ACN+2H"	84.067652
"1602676"	339.025928	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+K+HCOOH"	84.968628
"1426555"	369.057438	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+H+CF3COOH"	115.000138
"1157935"	189.575751	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+3ACN+2H"	125.094202
"1710767"	386.083985	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+NH4+CF3COOH"	132.026685
"1647509"	391.03938	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+Na+CF3COOH"	136.98208
"1578786"	407.01332	"C05844"	"5-L-Glutamyl-taurine;5-Glutamyl-taurine;Glutaurine"	"C7H14N2O6S"	"254.0573"	"M+K+CF3COOH"	152.95602
"802711"	1003.5704	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M"	0
"977219"	984.55201	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-H2O-H"	-19.01839
"66556"	668.039657333333	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M-3H"	-3.021828
"502864"	1002.563124	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M-3H"	-3.021828
"882093"	333.516190666667	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-3H"	-3.021828
"664"	1002.563124	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M-2H"	-2.014552
"440136"	1504.348324	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M-2H"	-2.014552
"817536"	500.777924	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-2H"	-2.014552
"79101"	2006.133524	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M-H"	-1.007276
"519151"	3009.703924	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M-H"	-1.007276
"896347"	1002.563124	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-H"	-1.007276
"47567"	2023.160071	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M-2H+NH4"	16.019271
"487366"	3026.730471	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M-2H+NH4"	16.019271
"864646"	1019.589671	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-2H+NH4"	16.019271
"32231"	2028.115466	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M-2H+Na"	20.974666
"476410"	3031.685866	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M-2H+Na"	20.974666
"848943"	1024.545066	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-2H+Na"	20.974666
"1618837"	1024.545066	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Na-2H"	20.974666
"95038"	1020.551463	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M-H+Cl"	33.962126
"535693"	1522.336663	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M-H+Cl"	33.962126
"930060"	518.766263	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-H+Cl"	33.962126
"270075"	2042.110202	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+Cl"	34.969402
"661160"	3045.680602	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+Cl"	34.969402
"1274418"	1038.539802	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Cl"	34.969402
"19282"	2044.089406	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M-2H+K"	36.948606
"459211"	3047.659806	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M-2H+K"	36.948606
"839931"	1040.519006	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-2H+K"	36.948606
"1564514"	1040.519006	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+K-2H"	36.948606
"953126"	1048.568594	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-H+HCOOH"	44.998194
"375717"	2052.139001	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+HCOOH-H"	44.998201
"357778"	2066.154651	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+Hac-H"	59.013851
"1500054"	1062.584251	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Hac-H"	59.013851
"964314"	1070.550551	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-H+NaCOOH"	66.980151
"120511"	1038.539802	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+2Cl"	69.938804
"558976"	1540.325002	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+2Cl"	69.938804
"1031786"	536.754602	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2Cl"	69.938804
"1249175"	1082.489285	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Br"	78.918885
"1313810"	1084.545272	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Cl+HCOOH"	80.974872
"1323652"	1106.527229	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Cl+NaCOOH"	102.956829
"916169"	1116.555986	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M-H+CF3COOH"	112.985586
"1298710"	1152.532664	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Cl+CF3COOH"	148.962264
"1368117"	968.557724	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H-2H2O"	-35.012676
"1383058"	986.5677	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H-H2O"	-17.0027
"284683"	2008.148076	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+H"	1.007276
"676988"	3011.718476	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+H"	1.007276
"1352608"	1004.577676	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H"	1.007276
"127330"	1004.577676	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+2H"	2.014552
"570905"	1506.362876	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+2H"	2.014552
"1040798"	502.792476	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2H"	2.014552
"206511"	670.054209333333	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+3H"	3.021828
"645340"	1004.577676	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+3H"	3.021828
"1166382"	335.530742666667	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+3H"	3.021828
"428565"	2025.174623	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+NH4"	18.033823
"797217"	3028.745023	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+NH4"	18.033823
"1690269"	1021.604223	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+NH4"	18.033823
"340739"	1013.0909495	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+H+NH4"	19.041099
"735348"	1514.8761495	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+H+NH4"	19.041099
"1485888"	511.3057495	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H+NH4"	19.041099
"406757"	2030.130018	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+Na"	22.989218
"761192"	3033.700418	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+Na"	22.989218
"1614757"	1026.559618	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Na"	22.989218
"323700"	1015.568647	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+H+Na"	23.996494
"709925"	1517.353847	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+H+Na"	23.996494
"1469940"	513.783447	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H+Na"	23.996494
"1063186"	342.858056666667	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2H+Na"	25.00377
"1267053"	1036.603886	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+CH3OH+H"	33.033486
"391094"	2046.103958	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+K"	38.963158
"753180"	3049.674358	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+K"	38.963158
"1554508"	1042.533558	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+K"	38.963158
"313503"	1023.555617	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+H+K"	39.970434
"696083"	1525.340817	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+H+K"	39.970434
"1450996"	521.770417	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H+K"	39.970434
"240690"	2049.174626	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+ACN+H"	42.033826
"1211215"	1045.604226	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+ACN+H"	42.033826
"1197289"	523.305751	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+ACN+2H"	43.041102
"194537"	2052.11196	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+2Na-H"	44.97116
"633374"	3055.68236	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+2Na-H"	44.97116
"1135786"	1048.54156	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2Na-H"	44.97116
"181263"	1026.559618	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+2Na"	45.978436
"617551"	1528.344818	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+2Na"	45.978436
"1118869"	524.774418	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2Na"	45.978436
"1404581"	350.185370666667	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H+2Na"	46.985712
"1432322"	1050.583146	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H+HCOOH"	47.012746
"223839"	1031.59264	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+3H2O+2H"	56.04448
"1511904"	1064.63519	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+IsoProp+H"	61.06479
"411589"	1034.546588	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+Na+K"	61.952376
"772585"	1536.331788	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+Na+K"	61.952376
"1668916"	532.761388	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Na+K"	61.952376
"254342"	2071.156568	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+ACN+Na"	64.015768
"1230331"	1067.586168	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+ACN+Na"	64.015768
"1718124"	1067.609693	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+NH4+HCOOH"	64.039293
"1182383"	357.512684666667	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+3Na"	68.967654
"1654464"	1072.565088	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Na+HCOOH"	68.994688
"159139"	2084.05984	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+2K-H"	76.91904
"599793"	3087.63024	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+2K-H"	76.91904
"1084204"	1080.48944	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2K-H"	76.91904
"142585"	1042.533558	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"2M+2K"	77.926316
"591630"	1544.318758	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"3M+2K"	77.926316
"1081613"	540.748358	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2K"	77.926316
"1114826"	1082.503992	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2K+H"	78.933592
"1344645"	1082.591607	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+DMSO+H"	79.021207
"1020710"	1086.630776	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2ACN+H"	83.060376
"1535675"	1087.624408	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+IsoProp+Na+H"	84.054008
"998845"	543.819026	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+2ACN+2H"	84.067652
"1599908"	1088.539028	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+K+HCOOH"	84.968628
"1429215"	1118.570538	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+H+CF3COOH"	115.000138
"1158045"	564.332301	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+3ACN+2H"	125.094202
"1710513"	1135.597085	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+NH4+CF3COOH"	132.026685
"1647619"	1140.55248	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+Na+CF3COOH"	136.98208
"1578896"	1156.52642	"C05845"	"N-Acetyl-D-galactosaminyldiphosphoundecaprenol"	"C54H87NO12P2"	"1003.5704"	"M+K+CF3COOH"	152.95602
"801972"	466.3447	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M"	0
"979518"	447.32631	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-H2O-H"	-19.01839
"68852"	309.889190666667	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M-3H"	-3.021828
"508412"	465.337424	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M-3H"	-3.021828
"882934"	154.440957333333	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-3H"	-3.021828
"3693"	465.337424	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M-2H"	-2.014552
"440251"	698.509774	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M-2H"	-2.014552
"818013"	232.165074	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-2H"	-2.014552
"79095"	931.682124	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M-H"	-1.007276
"519626"	1398.026824	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M-H"	-1.007276
"898399"	465.337424	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-H"	-1.007276
"49128"	948.708671	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M-2H+NH4"	16.019271
"488449"	1415.053371	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M-2H+NH4"	16.019271
"869059"	482.363971	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-2H+NH4"	16.019271
"36962"	953.664066	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M-2H+Na"	20.974666
"474334"	1420.008766	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M-2H+Na"	20.974666
"849579"	487.319366	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-2H+Na"	20.974666
"1619235"	487.319366	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Na-2H"	20.974666
"95149"	483.325763	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M-H+Cl"	33.962126
"535195"	716.498113	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M-H+Cl"	33.962126
"928102"	250.153413	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-H+Cl"	33.962126
"267995"	967.658802	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+Cl"	34.969402
"661147"	1434.003502	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+Cl"	34.969402
"1273795"	501.314102	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Cl"	34.969402
"22680"	969.638006	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M-2H+K"	36.948606
"463333"	1435.982706	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M-2H+K"	36.948606
"844052"	503.293306	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-2H+K"	36.948606
"1564625"	503.293306	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+K-2H"	36.948606
"949228"	511.342894	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-H+HCOOH"	44.998194
"366353"	977.687601	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+HCOOH-H"	44.998201
"355707"	991.703251	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+Hac-H"	59.013851
"1501259"	525.358551	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Hac-H"	59.013851
"966612"	533.324851	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-H+NaCOOH"	66.980151
"117705"	501.314102	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+2Cl"	69.938804
"560181"	734.486452	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+2Cl"	69.938804
"1033355"	268.141752	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2Cl"	69.938804
"1251838"	545.263585	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Br"	78.918885
"1315381"	547.319572	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Cl+HCOOH"	80.974872
"1326681"	569.301529	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Cl+NaCOOH"	102.956829
"921019"	579.330286	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M-H+CF3COOH"	112.985586
"1297727"	615.306964	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Cl+CF3COOH"	148.962264
"1369324"	431.332024	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H-2H2O"	-35.012676
"1383900"	449.342	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H-H2O"	-17.0027
"284071"	933.696676	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+H"	1.007276
"678567"	1400.041376	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+H"	1.007276
"1353820"	467.351976	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H"	1.007276
"129268"	467.351976	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+2H"	2.014552
"568829"	700.524326	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+2H"	2.014552
"1042002"	234.179626	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2H"	2.014552
"206620"	311.903742666667	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+3H"	3.021828
"647276"	467.351976	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+3H"	3.021828
"1169783"	156.455509333333	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+3H"	3.021828
"435240"	950.723223	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+NH4"	18.033823
"799158"	1417.067923	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+NH4"	18.033823
"1693302"	484.378523	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+NH4"	18.033823
"337569"	475.8652495	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+H+NH4"	19.041099
"731085"	709.0375995	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+H+NH4"	19.041099
"1489280"	242.6928995	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H+NH4"	19.041099
"402495"	955.678618	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+Na"	22.989218
"761304"	1422.023318	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+Na"	22.989218
"1610496"	489.333918	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Na"	22.989218
"325997"	478.342947	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+H+Na"	23.996494
"714045"	711.515297	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+H+Na"	23.996494
"1468958"	245.170597	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H+Na"	23.996494
"1062202"	163.782823333333	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2H+Na"	25.00377
"1264976"	499.378186	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+CH3OH+H"	33.033486
"386830"	971.652558	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+K"	38.963158
"747823"	1437.997258	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+K"	38.963158
"1545503"	505.307858	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+K"	38.963158
"301586"	486.329917	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+H+K"	39.970434
"692666"	719.502267	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+H+K"	39.970434
"1447462"	253.157567	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H+K"	39.970434
"236793"	974.723226	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+ACN+H"	42.033826
"1213516"	508.378526	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+ACN+H"	42.033826
"1197402"	254.692901	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+ACN+2H"	43.041102
"189547"	977.66056	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+2Na-H"	44.97116
"632391"	1444.00526	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+2Na-H"	44.97116
"1136633"	511.31586	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2Na-H"	44.97116
"183205"	489.333918	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+2Na"	45.978436
"616201"	722.506268	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+2Na"	45.978436
"1120073"	256.161568	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2Na"	45.978436
"1401772"	171.110137333333	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H+2Na"	46.985712
"1437537"	513.357446	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H+HCOOH"	47.012746
"226136"	494.36694	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+3H2O+2H"	56.04448
"1511286"	527.40949	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+IsoProp+H"	61.06479
"410971"	497.320888	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+Na+K"	61.952376
"775976"	730.493238	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+Na+K"	61.952376
"1671214"	264.148538	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Na+K"	61.952376
"253723"	996.705168	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+ACN+Na"	64.015768
"1232629"	530.360468	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+ACN+Na"	64.015768
"1714954"	530.383993	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+NH4+HCOOH"	64.039293
"1180308"	178.437451333333	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+3Na"	68.967654
"1652386"	535.339388	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Na+HCOOH"	68.994688
"157794"	1009.60844	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+2K-H"	76.91904
"598812"	1475.95314	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+2K-H"	76.91904
"1084264"	543.26374	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2K-H"	76.91904
"149992"	505.307858	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"2M+2K"	77.926316
"593565"	738.480208	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"3M+2K"	77.926316
"1080629"	272.135508	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2K"	77.926316
"1114570"	545.278292	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2K+H"	78.933592
"1349496"	545.365907	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+DMSO+H"	79.021207
"1017661"	549.405076	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2ACN+H"	83.060376
"1537488"	550.398708	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+IsoProp+Na+H"	84.054008
"997861"	275.206176	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+2ACN+2H"	84.067652
"1602207"	551.313328	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+K+HCOOH"	84.968628
"1428960"	581.344838	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+H+CF3COOH"	115.000138
"1159250"	295.719451	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+3ACN+2H"	125.094202
"1709894"	598.371385	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+NH4+CF3COOH"	132.026685
"1636429"	603.32678	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+Na+CF3COOH"	136.98208
"1579008"	619.30072	"C05849"	"Vitamin K1 epoxide;(23-Epoxyphytyl)menaquinone;23-Epoxy-23-dihydro-2-methyl-3-phytyl-14-naphthoquinone;23-Epoxyphylloquinone;1a7a-Dihydro-1a-methyl-7a-(371115-tetramethyl-2-hexadecenyl)-naphth23-boxirene-27-dione;Phylloquinone oxide;Phylloquinone epoxide;Phylloquinone-23-epoxide;Vitamin K1 23-epoxide;Vitamin K1 oxide"	"C31H46O3"	"466.3447"	"M+K+CF3COOH"	152.95602
"802813"	146.0368	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M"	0
"975252"	127.01841	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-H2O-H"	-19.01839
"64587"	96.3505906666667	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M-3H"	-3.021828
"503577"	145.029524	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M-3H"	-3.021828
"882307"	47.6716573333333	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-3H"	-3.021828
"1002"	145.029524	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M-2H"	-2.014552
"441173"	218.047924	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M-2H"	-2.014552
"817514"	72.011124	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-2H"	-2.014552
"79328"	291.066324	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M-H"	-1.007276
"520346"	437.103124	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M-H"	-1.007276
"896085"	145.029524	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-H"	-1.007276
"50713"	308.092871	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M-2H+NH4"	16.019271
"487345"	454.129671	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M-2H+NH4"	16.019271
"864457"	162.056071	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-2H+NH4"	16.019271
"31547"	313.048266	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M-2H+Na"	20.974666
"471840"	459.085066	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M-2H+Na"	20.974666
"849321"	167.011466	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-2H+Na"	20.974666
"1619346"	167.011466	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Na-2H"	20.974666
"94901"	163.017863	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M-H+Cl"	33.962126
"534579"	236.036263	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M-H+Cl"	33.962126
"927402"	89.999463	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-H+Cl"	33.962126
"267623"	327.043002	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+Cl"	34.969402
"661632"	473.079802	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+Cl"	34.969402
"1287648"	181.006202	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Cl"	34.969402
"30446"	329.022206	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M-2H+K"	36.948606
"471273"	475.059006	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M-2H+K"	36.948606
"847448"	182.985406	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-2H+K"	36.948606
"1568019"	182.985406	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+K-2H"	36.948606
"955539"	191.034994	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-H+HCOOH"	44.998194
"365375"	337.071801	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+HCOOH-H"	44.998201
"352538"	351.087451	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+Hac-H"	59.013851
"1493830"	205.050651	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Hac-H"	59.013851
"959794"	213.016951	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-H+NaCOOH"	66.980151
"111129"	181.006202	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+2Cl"	69.938804
"550445"	254.024602	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+2Cl"	69.938804
"1022409"	107.987802	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2Cl"	69.938804
"1251221"	224.955685	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Br"	78.918885
"1305041"	227.011672	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Cl+HCOOH"	80.974872
"1331165"	248.993629	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Cl+NaCOOH"	102.956829
"918942"	259.022386	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M-H+CF3COOH"	112.985586
"1298930"	294.999064	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Cl+CF3COOH"	148.962264
"1371258"	111.024124	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H-2H2O"	-35.012676
"1384375"	129.0341	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H-H2O"	-17.0027
"289903"	293.080876	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+H"	1.007276
"681234"	439.117676	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+H"	1.007276
"1355402"	147.044076	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H"	1.007276
"131570"	147.044076	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+2H"	2.014552
"575504"	220.062476	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+2H"	2.014552
"1051230"	74.025676	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2H"	2.014552
"218765"	98.3651426666667	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+3H"	3.021828
"658332"	147.044076	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+3H"	3.021828
"1170987"	49.6862093333333	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+3H"	3.021828
"436450"	310.107423	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+NH4"	18.033823
"800729"	456.144223	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+NH4"	18.033823
"1692682"	164.070623	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+NH4"	18.033823
"342419"	155.5573495	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+H+NH4"	19.041099
"729009"	228.5757495	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+H+NH4"	19.041099
"1485017"	82.5389495	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H+NH4"	19.041099
"401513"	315.062818	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+Na"	22.989218
"760319"	461.099618	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+Na"	22.989218
"1610603"	169.026018	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Na"	22.989218
"318453"	158.035047	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+H+Na"	23.996494
"715248"	231.053447	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+H+Na"	23.996494
"1470162"	85.016647	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H+Na"	23.996494
"1062313"	57.0135233333333	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2H+Na"	25.00377
"1269460"	179.070286	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+CH3OH+H"	33.033486
"386938"	331.036758	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+K"	38.963158
"741373"	477.073558	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+K"	38.963158
"1540511"	184.999958	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+K"	38.963158
"302788"	166.022017	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+H+K"	39.970434
"691729"	239.040417	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+H+K"	39.970434
"1446850"	93.003617	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H+K"	39.970434
"238003"	334.107426	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+ACN+H"	42.033826
"1209930"	188.070626	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+ACN+H"	42.033826
"1205175"	94.538951	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+ACN+2H"	43.041102
"195858"	337.04476	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+2Na-H"	44.97116
"635426"	483.08156	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+2Na-H"	44.97116
"1144400"	191.00796	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2Na-H"	44.97116
"181130"	169.026018	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+2Na"	45.978436
"625063"	242.044418	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+2Na"	45.978436
"1119822"	96.007618	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2Na"	45.978436
"1403344"	64.3408373333333	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H+2Na"	46.985712
"1435461"	193.049546	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H+HCOOH"	47.012746
"227345"	174.05904	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+3H2O+2H"	56.04448
"1518687"	207.10159	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+IsoProp+H"	61.06479
"423599"	177.012988	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+Na+K"	61.952376
"784837"	250.031388	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+Na+K"	61.952376
"1674970"	103.994588	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Na+K"	61.952376
"257116"	356.089368	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+ACN+Na"	64.015768
"1237113"	210.052568	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+ACN+Na"	64.015768
"1713848"	210.076093	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+NH4+HCOOH"	64.039293
"1179930"	71.6681513333333	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+3Na"	68.967654
"1653597"	215.031488	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Na+HCOOH"	68.994688
"165565"	368.99264	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+2K-H"	76.91904
"608773"	515.02944	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+2K-H"	76.91904
"1095475"	222.95584	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2K-H"	76.91904
"154481"	184.999958	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"2M+2K"	77.926316
"594040"	258.018358	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"3M+2K"	77.926316
"1081348"	111.981558	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2K"	77.926316
"1112855"	224.970392	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2K+H"	78.933592
"1341586"	225.058007	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+DMSO+H"	79.021207
"1019838"	229.097176	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2ACN+H"	83.060376
"1538451"	230.090808	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+IsoProp+Na+H"	84.054008
"1000161"	115.052226	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+2ACN+2H"	84.067652
"1599039"	231.005428	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+K+HCOOH"	84.968628
"1426885"	261.036938	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+H+CF3COOH"	115.000138
"1160453"	135.565501	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+3ACN+2H"	125.094202
"1706721"	278.063485	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+NH4+CF3COOH"	132.026685
"1644559"	283.01888	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+Na+CF3COOH"	136.98208
"1579120"	298.99282	"C05851"	"Coumarin;Coumarine;Cumarin;2H-1-Benzopyran-2-one;12-Benzopyrone;2-Propenoic acid 3-(2-hydroxyphenyl)- delta-lactone;56-Benzo-2-pyrone;Benzo-alpha-pyrone;cis-o-Coumarinic acid lactone;Coumarinic anhydride;o-Hydroxycinnamic acid lactone;Rattex;Tonka bean camphor"	"C9H6O2"	"146.0368"	"M+K+CF3COOH"	152.95602
"802557"	152.0473	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M"	0
"975602"	133.02891	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"63599"	100.357590666667	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"503526"	151.040024	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"882789"	49.6751573333333	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"1364"	151.040024	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"441279"	227.063674	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"817745"	75.016374	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"78600"	303.087324	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"518755"	455.134624	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"899363"	151.040024	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"47173"	320.113871	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"487210"	472.161171	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"864684"	168.066571	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"31669"	325.069266	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"471500"	477.116566	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"848780"	173.021966	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1622983"	173.021966	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"94379"	169.028363	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"534559"	245.052013	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"927182"	93.004713	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"267494"	339.064002	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"660109"	491.111302	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1273076"	187.016702	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"28369"	341.043206	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"465743"	493.090506	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"847316"	188.995906	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1564848"	188.995906	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"951643"	197.045494	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"374231"	349.092801	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"354834"	363.108451	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1493216"	211.061151	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"959422"	219.027451	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"120113"	187.016702	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"555300"	263.040352	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1024095"	110.993052	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1248050"	230.966185	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1306122"	233.022172	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1320700"	255.004129	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"914677"	265.032886	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1292114"	301.009564	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1368085"	117.034624	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1384858"	135.0446	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"284914"	305.101876	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"686817"	457.149176	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1355511"	153.054576	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"131680"	153.054576	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"576706"	229.078226	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1051339"	77.030926	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"215596"	102.372142666667	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"650781"	153.054576	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1177424"	51.6897093333333	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"438747"	322.128423	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"795368"	474.175723	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1692792"	170.081123	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"336699"	161.5678495	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"725841"	237.5914995	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1481847"	85.5441995	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"399433"	327.083818	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"760427"	479.131118	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1607433"	175.036518	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"322937"	164.045547	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"713170"	240.069197	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1469177"	88.021897	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1061331"	59.0170233333333	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1265194"	185.080786	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"387049"	343.057758	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"740756"	495.105058	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1541348"	191.010458	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"300347"	172.032517	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"695329"	248.056167	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1446236"	96.008867	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"236053"	346.128426	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1214842"	194.081126	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1203101"	97.544201	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"190138"	349.06576	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"635536"	501.11306	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1137584"	197.01846	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"177593"	175.036518	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"624080"	251.060168	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1119565"	99.012868	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1405643"	66.3443373333333	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1435572"	199.060046	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"225268"	180.06954	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1518798"	213.11209	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"419579"	183.023488	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"775834"	259.047138	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1669978"	106.999838	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"260142"	368.110368	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1228113"	216.063068	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1715178"	216.086593	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1179438"	73.6716513333333	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1656993"	221.041988	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"167139"	381.01364	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"607793"	533.06094	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1094494"	228.96634	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"150216"	191.010458	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"590870"	267.034108	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1078664"	114.986808	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1107498"	230.980892	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1350204"	231.068507	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1019827"	235.107676	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1534915"	236.101308	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1002455"	118.057476	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1600239"	237.015928	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1424804"	267.047438	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1158373"	138.570751	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1704643"	284.073985	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1639201"	289.02938	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1579228"	305.00332	"C05852"	"2-Hydroxyphenylacetate;2-Hydroxyphenylacetic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"801939"	122.0732	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M"	0
"974404"	103.05481	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"62894"	80.3748573333333	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"502960"	121.065924	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"879956"	39.6837906666667	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"867"	121.065924	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"441024"	182.102524	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"817084"	60.029324	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"78729"	243.139124	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"518583"	365.212324	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"899838"	121.065924	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"47400"	260.165671	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"487107"	382.238871	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"864293"	138.092471	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"31602"	265.121066	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"471445"	387.194266	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"848577"	143.047866	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1618877"	143.047866	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"94468"	139.054263	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"534262"	200.090863	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"927068"	78.017663	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"267395"	279.115802	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"659956"	401.189002	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1272821"	157.042602	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"26293"	281.095006	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"464760"	403.168206	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"844753"	159.021806	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1564958"	159.021806	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"950659"	167.071394	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"373248"	289.144601	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"351664"	303.160251	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1492887"	181.087051	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"958924"	189.053351	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"119131"	157.042602	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"555410"	218.079202	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1022748"	96.006002	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1245608"	200.992085	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1307691"	203.048072	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1321173"	225.030029	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"914787"	235.058786	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1291495"	271.035464	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1369166"	87.060524	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1386061"	105.0705	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"286846"	245.153676	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"684741"	367.226876	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1355622"	123.080476	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"131792"	123.080476	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"574630"	184.117076	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1047804"	62.043876	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"214613"	82.3894093333333	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"651986"	123.080476	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1176924"	41.6983426666667	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"438857"	262.180223	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"797301"	384.253423	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1692538"	140.107023	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"337903"	131.5937495	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"729231"	192.6303495	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1480863"	70.5571495	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"396263"	267.135618	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"761631"	389.208818	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1605719"	145.062418	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"320861"	134.071447	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"709271"	195.108047	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1463454"	73.034847	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1055969"	49.0256566666667	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1266399"	155.106686	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"383879"	283.109558	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"738535"	405.182758	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1540608"	161.036358	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"299849"	142.058417	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"692279"	203.095017	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1445817"	81.021817	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"236081"	286.180226	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1216045"	164.107026	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1201024"	82.557151	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"192800"	289.11756	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"635646"	411.19076	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1135142"	167.04436	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"178796"	145.062418	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"625283"	206.099018	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1119675"	84.025818	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1407940"	56.3529706666667	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1434224"	169.085946	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"225378"	150.09544	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1518908"	183.13799	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"418596"	153.049388	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"772664"	214.085988	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1670452"	92.012788	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"255877"	308.162168	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1226276"	186.088968	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1714924"	186.112493	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1178855"	63.6802846666667	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1653823"	191.067888	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"169436"	321.06544	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"611183"	443.13864	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1094604"	198.99224	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"152513"	161.036358	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"594260"	222.072958	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1078774"	99.999758	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1106515"	201.006792	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1341806"	201.094407	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1017992"	205.133576	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1535025"	206.127208	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"1000378"	103.070426	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1602499"	207.041828	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1421634"	237.073338	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1158483"	123.583701	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1705846"	254.099885	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1639311"	259.05528	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1579338"	275.02922	"C05853"	"Phenylethyl alcohol;Phenethyl alcohol;2-Phenylethanol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"809704"	312.1209	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M"	0
"975216"	293.10251	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-H2O-H"	-19.01839
"64916"	207.073324	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M-3H"	-3.021828
"504480"	311.113624	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M-3H"	-3.021828
"883374"	103.033024	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-3H"	-3.021828
"1584"	311.113624	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M-2H"	-2.014552
"440893"	467.174074	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M-2H"	-2.014552
"817721"	155.053174	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-2H"	-2.014552
"78844"	623.234524	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M-H"	-1.007276
"519227"	935.355424	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M-H"	-1.007276
"899948"	311.113624	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-H"	-1.007276
"47756"	640.261071	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M-2H+NH4"	16.019271
"487245"	952.381971	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M-2H+NH4"	16.019271
"864744"	328.140171	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-2H+NH4"	16.019271
"32036"	645.216466	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M-2H+Na"	20.974666
"471881"	957.337366	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M-2H+Na"	20.974666
"849084"	333.095566	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-2H+Na"	20.974666
"1618733"	333.095566	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Na-2H"	20.974666
"94455"	329.101963	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M-H+Cl"	33.962126
"534616"	485.162413	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M-H+Cl"	33.962126
"927244"	173.041513	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-H+Cl"	33.962126
"267421"	659.211202	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+Cl"	34.969402
"660281"	971.332102	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+Cl"	34.969402
"1272820"	347.090302	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Cl"	34.969402
"22025"	661.190406	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M-2H+K"	36.948606
"457939"	973.311306	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M-2H+K"	36.948606
"838296"	349.069506	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-2H+K"	36.948606
"1563975"	349.069506	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+K-2H"	36.948606
"956602"	357.119094	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-H+HCOOH"	44.998194
"370078"	669.240001	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+HCOOH-H"	44.998201
"355054"	683.255651	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+Hac-H"	59.013851
"1497327"	371.134751	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Hac-H"	59.013851
"959398"	379.101051	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-H+NaCOOH"	66.980151
"118148"	347.090302	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+2Cl"	69.938804
"555522"	503.150752	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+2Cl"	69.938804
"1023224"	191.029852	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2Cl"	69.938804
"1247178"	391.039785	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Br"	78.918885
"1308896"	393.095772	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Cl+HCOOH"	80.974872
"1324202"	415.077729	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Cl+NaCOOH"	102.956829
"919272"	425.106486	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M-H+CF3COOH"	112.985586
"1293793"	461.083164	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Cl+CF3COOH"	148.962264
"1371224"	277.108224	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H-2H2O"	-35.012676
"1384712"	295.1182	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H-H2O"	-17.0027
"286956"	625.249076	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+H"	1.007276
"681570"	937.369976	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+H"	1.007276
"1354638"	313.128176	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H"	1.007276
"131170"	313.128176	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+2H"	2.014552
"573647"	469.188626	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+2H"	2.014552
"1049008"	157.067726	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2H"	2.014552
"212535"	209.087876	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+3H"	3.021828
"651002"	313.128176	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+3H"	3.021828
"1174600"	105.047576	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+3H"	3.021828
"438606"	642.275623	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+NH4"	18.033823
"796682"	954.396523	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+NH4"	18.033823
"1694835"	330.154723	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+NH4"	18.033823
"335829"	321.6414495	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+H+NH4"	19.041099
"727156"	477.7018995	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+H+NH4"	19.041099
"1480973"	165.5809995	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H+NH4"	19.041099
"397466"	647.231018	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+Na"	22.989218
"759555"	959.351918	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+Na"	22.989218
"1604737"	335.110118	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Na"	22.989218
"320971"	324.119147	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+H+Na"	23.996494
"709378"	480.179597	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+H+Na"	23.996494
"1468305"	168.058697	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H+Na"	23.996494
"1054989"	112.37489	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2H+Na"	25.00377
"1267602"	345.154386	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+CH3OH+H"	33.033486
"383989"	663.204958	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+K"	38.963158
"739758"	975.325858	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+K"	38.963158
"1542296"	351.084058	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+K"	38.963158
"300688"	332.106117	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+H+K"	39.970434
"691531"	488.166567	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+H+K"	39.970434
"1446698"	176.045667	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H+K"	39.970434
"236518"	666.275626	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+ACN+H"	42.033826
"1215062"	354.154726	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+ACN+H"	42.033826
"1201134"	177.581001	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+ACN+2H"	43.041102
"191817"	669.21296	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+2Na-H"	44.97116
"635025"	981.33386	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+2Na-H"	44.97116
"1133430"	357.09206	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2Na-H"	44.97116
"180366"	335.110118	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+2Na"	45.978436
"622113"	491.170568	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+2Na"	45.978436
"1122339"	179.049668	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2Na"	45.978436
"1406957"	119.702204	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H+2Na"	46.985712
"1434334"	359.133646	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H+HCOOH"	47.012746
"224395"	340.14314	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+3H2O+2H"	56.04448
"1519018"	373.18569	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+IsoProp+H"	61.06479
"415427"	343.097088	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+Na+K"	61.952376
"771681"	499.157538	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+Na+K"	61.952376
"1669469"	187.036638	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Na+K"	61.952376
"253801"	688.257568	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+ACN+Na"	64.015768
"1226383"	376.136668	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+ACN+Na"	64.015768
"1712860"	376.160193	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+NH4+HCOOH"	64.039293
"1178716"	127.029518	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+3Na"	68.967654
"1656119"	381.115588	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Na+HCOOH"	68.994688
"171613"	701.16084	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+2K-H"	76.91904
"612805"	1013.28174	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+2K-H"	76.91904
"1099871"	389.03994	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2K-H"	76.91904
"157081"	351.084058	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"2M+2K"	77.926316
"592185"	507.144508	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"3M+2K"	77.926316
"1083991"	195.023608	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2K"	77.926316
"1112944"	391.054492	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2K+H"	78.933592
"1350667"	391.142107	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+DMSO+H"	79.021207
"1017981"	395.181276	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2ACN+H"	83.060376
"1535135"	396.174908	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+IsoProp+Na+H"	84.054008
"1001582"	198.094276	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+2ACN+2H"	84.067652
"1602405"	397.089528	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+K+HCOOH"	84.968628
"1429871"	427.121038	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+H+CF3COOH"	115.000138
"1161754"	218.607551	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+3ACN+2H"	125.094202
"1704863"	444.147585	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+NH4+CF3COOH"	132.026685
"1642701"	449.10298	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+Na+CF3COOH"	136.98208
"1579448"	465.07692	"C05855"	"4-Hydroxycinnamyl alcohol 4-D-glucoside;p-Coumaryl alcohol 4-O-glucoside"	"C15H20O7"	"312.1209"	"M+K+CF3COOH"	152.95602
"802523"	263.0967	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M"	0
"975448"	244.07831	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-H2O-H"	-19.01839
"63809"	174.390524	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M-3H"	-3.021828
"505683"	262.089424	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M-3H"	-3.021828
"883484"	86.691624	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-3H"	-3.021828
"2059"	262.089424	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M-2H"	-2.014552
"440883"	393.637774	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M-2H"	-2.014552
"818317"	130.541074	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-2H"	-2.014552
"78913"	525.186124	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M-H"	-1.007276
"519088"	788.282824	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M-H"	-1.007276
"901151"	262.089424	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-H"	-1.007276
"48592"	542.212671	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M-2H+NH4"	16.019271
"488030"	805.309371	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M-2H+NH4"	16.019271
"864617"	279.115971	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-2H+NH4"	16.019271
"32397"	547.168066	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M-2H+Na"	20.974666
"473785"	810.264766	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M-2H+Na"	20.974666
"850494"	284.071366	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-2H+Na"	20.974666
"1620028"	284.071366	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Na-2H"	20.974666
"98740"	280.077763	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M-H+Cl"	33.962126
"535382"	411.626113	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M-H+Cl"	33.962126
"927804"	148.529413	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-H+Cl"	33.962126
"268307"	561.162802	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+Cl"	34.969402
"660358"	824.259502	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+Cl"	34.969402
"1273009"	298.066102	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Cl"	34.969402
"19947"	563.142006	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M-2H+K"	36.948606
"458049"	826.238706	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M-2H+K"	36.948606
"839499"	300.045306	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-2H+K"	36.948606
"1561898"	300.045306	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+K-2H"	36.948606
"947599"	308.094894	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-H+HCOOH"	44.998194
"370188"	571.191601	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+HCOOH-H"	44.998201
"351884"	585.207251	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+Hac-H"	59.013851
"1499623"	322.110551	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Hac-H"	59.013851
"960602"	330.076851	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-H+NaCOOH"	66.980151
"119351"	298.066102	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+2Cl"	69.938804
"557817"	429.614452	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+2Cl"	69.938804
"1023702"	166.517752	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2Cl"	69.938804
"1246195"	342.015585	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Br"	78.918885
"1306087"	344.071572	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Cl+HCOOH"	80.974872
"1325044"	366.053529	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Cl+NaCOOH"	102.956829
"917196"	376.082286	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M-H+CF3COOH"	112.985586
"1288919"	412.058964	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Cl+CF3COOH"	148.962264
"1367807"	228.084024	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H-2H2O"	-35.012676
"1388472"	246.094	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H-H2O"	-17.0027
"288163"	527.200676	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+H"	1.007276
"681680"	790.297376	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+H"	1.007276
"1354749"	264.103976	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H"	1.007276
"129826"	264.103976	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+2H"	2.014552
"572665"	395.652326	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+2H"	2.014552
"1044745"	132.555626	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2H"	2.014552
"214832"	176.405076	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+3H"	3.021828
"655489"	264.103976	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+3H"	3.021828
"1176174"	88.706176	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+3H"	3.021828
"438352"	544.227223	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+NH4"	18.033823
"797885"	807.323923	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+NH4"	18.033823
"1695310"	281.130523	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+NH4"	18.033823
"335938"	272.6172495	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+H+NH4"	19.041099
"728358"	404.1655995	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+H+NH4"	19.041099
"1483271"	141.0688995	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H+NH4"	19.041099
"397575"	549.182618	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+Na"	22.989218
"759666"	812.279318	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+Na"	22.989218
"1606671"	286.085918	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Na"	22.989218
"316708"	275.094947	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+H+Na"	23.996494
"713501"	406.643297	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+H+Na"	23.996494
"1463312"	143.546597	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H+Na"	23.996494
"1055099"	96.03349	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2H+Na"	25.00377
"1260056"	296.130186	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+CH3OH+H"	33.033486
"384100"	565.156558	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+K"	38.963158
"738814"	828.253258	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+K"	38.963158
"1540342"	302.059858	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+K"	38.963158
"299948"	283.081917	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+H+K"	39.970434
"693835"	414.630267	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+H+K"	39.970434
"1450577"	151.533567	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H+K"	39.970434
"241367"	568.227226	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+ACN+H"	42.033826
"1215172"	305.130526	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+ACN+H"	42.033826
"1200151"	153.068901	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+ACN+2H"	43.041102
"193020"	571.16456	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+2Na-H"	44.97116
"632949"	834.26126	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+2Na-H"	44.97116
"1133904"	308.06786	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2Na-H"	44.97116
"179018"	286.085918	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+2Na"	45.978436
"618577"	417.634268	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+2Na"	45.978436
"1117704"	154.537568	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2Na"	45.978436
"1403419"	103.360804	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H+2Na"	46.985712
"1434809"	310.109446	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H+HCOOH"	47.012746
"224505"	291.11894	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+3H2O+2H"	56.04448
"1518766"	324.16149	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+IsoProp+H"	61.06479
"414442"	294.072888	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+Na+K"	61.952376
"774708"	425.621238	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+Na+K"	61.952376
"1669945"	162.524538	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Na+K"	61.952376
"258286"	590.209168	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+ACN+Na"	64.015768
"1226251"	327.112468	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+ACN+Na"	64.015768
"1713319"	327.135993	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+NH4+HCOOH"	64.039293
"1179113"	110.688118	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+3Na"	68.967654
"1652949"	332.091388	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Na+HCOOH"	68.994688
"170750"	603.11244	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+2K-H"	76.91904
"612501"	866.20914	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+2K-H"	76.91904
"1099328"	340.01574	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2K-H"	76.91904
"157026"	302.059858	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"2M+2K"	77.926316
"591202"	433.608208	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"3M+2K"	77.926316
"1083617"	170.511508	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2K"	77.926316
"1112933"	342.030292	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2K+H"	78.933592
"1347495"	342.117907	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+DMSO+H"	79.021207
"1016025"	346.157076	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2ACN+H"	83.060376
"1534152"	347.150708	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+IsoProp+Na+H"	84.054008
"1000599"	173.582176	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+2ACN+2H"	84.067652
"1602475"	348.065328	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+K+HCOOH"	84.968628
"1428417"	378.096838	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+H+CF3COOH"	115.000138
"1160891"	194.095451	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+3ACN+2H"	125.094202
"1701693"	395.123385	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+NH4+CF3COOH"	132.026685
"1644998"	400.07878	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+Na+CF3COOH"	136.98208
"1579558"	416.05272	"C05856"	"Thiamine aldehyde;Thiamin aldehyde"	"C12H15N4OS"	"263.0967"	"M+K+CF3COOH"	152.95602
"806649"	1007.2774	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M"	0
"985650"	988.25901	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H2O-H"	-19.01839
"71707"	670.510990666667	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-3H"	-3.021828
"517829"	1006.270124	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-3H"	-3.021828
"893445"	334.751857333333	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-3H"	-3.021828
"10566"	1006.270124	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H"	-2.014552
"448302"	1509.908824	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H"	-2.014552
"832340"	502.631424	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H"	-2.014552
"93871"	2013.547524	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-H"	-1.007276
"530028"	3020.824924	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-H"	-1.007276
"907830"	1006.270124	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H"	-1.007276
"61110"	2030.574071	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+NH4"	16.019271
"495567"	3037.851471	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+NH4"	16.019271
"877379"	1023.296671	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+NH4"	16.019271
"40906"	2035.529466	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+Na"	20.974666
"477184"	3042.806866	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+Na"	20.974666
"858266"	1028.252066	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+Na"	20.974666
"1622696"	1028.252066	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na-2H"	20.974666
"102142"	1024.258463	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-H+Cl"	33.962126
"542797"	1527.897163	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-H+Cl"	33.962126
"933036"	520.619763	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+Cl"	33.962126
"277061"	2049.524202	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Cl"	34.969402
"672772"	3056.801602	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Cl"	34.969402
"1286268"	1042.246802	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl"	34.969402
"29189"	2051.503406	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+K"	36.948606
"469477"	3058.780806	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+K"	36.948606
"845089"	1044.226006	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+K"	36.948606
"1567483"	1044.226006	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K-2H"	36.948606
"954272"	1052.275594	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+HCOOH"	44.998194
"367019"	2059.553001	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+HCOOH-H"	44.998201
"354181"	2073.568651	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Hac-H"	59.013851
"1497545"	1066.291251	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Hac-H"	59.013851
"960709"	1074.257551	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+NaCOOH"	66.980151
"112533"	1042.246802	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Cl"	69.938804
"550758"	1545.885502	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Cl"	69.938804
"1021987"	538.608102	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Cl"	69.938804
"1241565"	1086.196285	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Br"	78.918885
"1307664"	1088.252272	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+HCOOH"	80.974872
"1327353"	1110.234229	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+NaCOOH"	102.956829
"919506"	1120.262986	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+CF3COOH"	112.985586
"1294028"	1156.239664	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+CF3COOH"	148.962264
"1372190"	972.264724	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H-2H2O"	-35.012676
"1388591"	990.2747	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H-H2O"	-17.0027
"284147"	2015.562076	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H"	1.007276
"681797"	3022.839476	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H"	1.007276
"1358144"	1008.284676	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H"	1.007276
"139419"	1008.284676	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2H"	2.014552
"570599"	1511.923376	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2H"	2.014552
"1051433"	504.645976	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2H"	2.014552
"218242"	672.525542666667	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+3H"	3.021828
"658168"	1008.284676	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+3H"	3.021828
"1175927"	336.766409333333	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3H"	3.021828
"429356"	2032.588623	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+NH4"	18.033823
"794725"	3039.866023	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+NH4"	18.033823
"1691056"	1025.311223	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4"	18.033823
"336053"	1016.7979495	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+NH4"	19.041099
"727742"	1520.4366495	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+NH4"	19.041099
"1479740"	513.1592495	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+NH4"	19.041099
"394409"	2037.544018	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Na"	22.989218
"759777"	3044.821418	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Na"	22.989218
"1604601"	1030.266618	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na"	22.989218
"316097"	1019.275647	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+Na"	23.996494
"708522"	1522.914347	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+Na"	23.996494
"1463435"	515.636947	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+Na"	23.996494
"1054495"	344.093723333333	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2H+Na"	25.00377
"1264562"	1040.310886	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+CH3OH+H"	33.033486
"389698"	2053.517958	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+K"	38.963158
"747413"	3060.795358	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+K"	38.963158
"1549468"	1046.240558	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K"	38.963158
"304456"	1027.262617	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+K"	39.970434
"701255"	1530.901317	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+K"	39.970434
"1453981"	523.623917	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+K"	39.970434
"250120"	2056.588626	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+ACN+H"	42.033826
"1221853"	1049.311226	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+H"	42.033826
"1200631"	525.159251	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+2H"	43.041102
"197514"	2059.52596	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Na-H"	44.97116
"639261"	3066.80336	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Na-H"	44.97116
"1136572"	1052.24856	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Na-H"	44.97116
"180592"	1030.266618	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Na"	45.978436
"622706"	1533.905318	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Na"	45.978436
"1120379"	526.627918	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Na"	45.978436
"1403902"	351.421037333333	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+2Na"	46.985712
"1433466"	1054.290146	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+HCOOH"	47.012746
"221213"	1035.29964	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+3H2O+2H"	56.04448
"1510491"	1068.34219	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+IsoProp+H"	61.06479
"411275"	1038.253588	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Na+K"	61.952376
"782122"	1541.892288	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Na+K"	61.952376
"1668609"	534.614888	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+K"	61.952376
"267032"	2078.570568	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+ACN+Na"	64.015768
"1240605"	1071.293168	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+Na"	64.015768
"1723294"	1071.316693	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4+HCOOH"	64.039293
"1190834"	358.748351333333	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3Na"	68.967654
"1660727"	1076.272088	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+HCOOH"	68.994688
"164308"	2091.47384	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2K-H"	76.91904
"602774"	3098.75124	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2K-H"	76.91904
"1090568"	1084.19644	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K-H"	76.91904
"146289"	1046.240558	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2K"	77.926316
"584756"	1549.879258	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2K"	77.926316
"1075831"	542.601858	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K"	77.926316
"1104667"	1086.210992	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K+H"	78.933592
"1339958"	1086.298607	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+DMSO+H"	79.021207
"1011765"	1090.337776	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2ACN+H"	83.060376
"1533172"	1091.331408	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+IsoProp+Na+H"	84.054008
"996342"	545.672526	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2ACN+2H"	84.067652
"1589748"	1092.246028	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K+HCOOH"	84.968628
"1417595"	1122.277538	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+CF3COOH"	115.000138
"1151529"	566.185801	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3ACN+2H"	125.094202
"1699625"	1139.304085	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4+CF3COOH"	132.026685
"1639650"	1144.25948	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+CF3COOH"	136.98208
"1579676"	1160.23342	"C05892"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine;UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K+CF3COOH"	152.95602
"803479"	1875.0606	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M"	0
"981386"	1856.04221	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-H2O-H"	-19.01839
"71817"	1249.033124	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M-3H"	-3.021828
"518428"	1874.053324	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M-3H"	-3.021828
"893190"	624.012924	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-3H"	-3.021828
"12132"	1874.053324	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M-2H"	-2.014552
"449505"	2811.583624	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M-2H"	-2.014552
"832450"	936.523024	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-2H"	-2.014552
"93864"	3749.113924	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M-H"	-1.007276
"532325"	5624.174524	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M-H"	-1.007276
"904660"	1874.053324	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-H"	-1.007276
"59033"	3766.140471	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M-2H+NH4"	16.019271
"498593"	5641.201071	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M-2H+NH4"	16.019271
"874209"	1891.079871	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-2H+NH4"	16.019271
"44296"	3771.095866	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M-2H+Na"	20.974666
"478387"	5646.156466	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M-2H+Na"	20.974666
"858376"	1896.035266	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-2H+Na"	20.974666
"1622076"	1896.035266	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Na-2H"	20.974666
"102252"	1892.041663	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M-H+Cl"	33.962126
"542907"	2829.571963	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M-H+Cl"	33.962126
"936426"	954.511363	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-H+Cl"	33.962126
"277171"	3785.090602	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+Cl"	34.969402
"673611"	5660.151202	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+Cl"	34.969402
"1287470"	1910.030002	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Cl"	34.969402
"30757"	3787.069806	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M-2H+K"	36.948606
"469586"	5662.130406	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M-2H+K"	36.948606
"845199"	1912.009206	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-2H+K"	36.948606
"1564313"	1912.009206	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+K-2H"	36.948606
"954382"	1920.058794	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-H+HCOOH"	44.998194
"368222"	3795.119401	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+HCOOH-H"	44.998201
"354291"	3809.135051	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+Hac-H"	59.013851
"1500935"	1934.074451	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Hac-H"	59.013851
"959849"	1942.040751	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-H+NaCOOH"	66.980151
"114103"	1910.030002	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+2Cl"	69.938804
"552570"	2847.560302	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+2Cl"	69.938804
"1024284"	972.499702	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2Cl"	69.938804
"1243133"	1953.979485	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Br"	78.918885
"1306681"	1956.035472	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Cl+HCOOH"	80.974872
"1327463"	1978.017429	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Cl+NaCOOH"	102.956829
"921803"	1988.046186	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M-H+CF3COOH"	112.985586
"1298512"	2024.022864	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Cl+CF3COOH"	148.962264
"1372300"	1840.047924	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H-2H2O"	-35.012676
"1390888"	1858.0579	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H-H2O"	-17.0027
"288389"	3751.128476	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+H"	1.007276
"684093"	5626.189076	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+H"	1.007276
"1357161"	1876.067876	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H"	1.007276
"137709"	1876.067876	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+2H"	2.014552
"577634"	2813.598176	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+2H"	2.014552
"1047157"	938.537576	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2H"	2.014552
"214337"	1251.047676	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+3H"	3.021828
"652439"	1876.067876	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+3H"	3.021828
"1177374"	626.027476	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+3H"	3.021828
"431652"	3768.155023	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+NH4"	18.033823
"794835"	5643.215623	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+NH4"	18.033823
"1687886"	1893.094423	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+NH4"	18.033823
"334341"	1884.5811495	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+H+NH4"	19.041099
"727490"	2822.1114495	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+H+NH4"	19.041099
"1480216"	947.0508495	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H+NH4"	19.041099
"393791"	3773.110418	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+Na"	22.989218
"757701"	5648.171018	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+Na"	22.989218
"1605800"	1898.049818	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Na"	22.989218
"318023"	1887.058847	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+H+Na"	23.996494
"711547"	2824.589147	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+H+Na"	23.996494
"1466461"	949.528547	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H+Na"	23.996494
"1058613"	633.35479	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2H+Na"	25.00377
"1266858"	1908.094086	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+CH3OH+H"	33.033486
"389807"	3789.084358	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+K"	38.963158
"747523"	5664.144958	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+K"	38.963158
"1549578"	1914.023758	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+K"	38.963158
"303472"	1895.045817	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+H+K"	39.970434
"698084"	2832.576117	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+H+K"	39.970434
"1454091"	957.515517	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H+K"	39.970434
"249255"	3792.155026	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+ACN+H"	42.033826
"1223056"	1917.094426	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+ACN+H"	42.033826
"1201470"	959.050851	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+ACN+2H"	43.041102
"197623"	3795.09236	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+2Na-H"	44.97116
"637183"	5670.15296	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+2Na-H"	44.97116
"1136318"	1920.03176	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2Na-H"	44.97116
"178878"	1898.049818	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+2Na"	45.978436
"625367"	2835.580118	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+2Na"	45.978436
"1120489"	960.519518	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2Na"	45.978436
"1407292"	640.682104	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H+2Na"	46.985712
"1435035"	1922.073346	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H+HCOOH"	47.012746
"221080"	1903.08284	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+3H2O+2H"	56.04448
"1509874"	1936.12539	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+IsoProp+H"	61.06479
"411385"	1906.036788	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+Na+K"	61.952376
"781504"	2843.567088	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+Na+K"	61.952376
"1668718"	968.506488	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Na+K"	61.952376
"262532"	3814.136968	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+ACN+Na"	64.015768
"1241165"	1939.076368	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+ACN+Na"	64.015768
"1723404"	1939.099893	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+NH4+HCOOH"	64.039293
"1187664"	648.009418	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+3Na"	68.967654
"1661930"	1944.055288	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Na+HCOOH"	68.994688
"164417"	3827.04024	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+2K-H"	76.91904
"605071"	5702.10084	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+2K-H"	76.91904
"1091771"	1951.97964	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2K-H"	76.91904
"146400"	1914.023758	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"2M+2K"	77.926316
"584866"	2851.554058	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"3M+2K"	77.926316
"1077034"	976.493458	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2K"	77.926316
"1106963"	1953.994192	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2K+H"	78.933592
"1342254"	1954.081807	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+DMSO+H"	79.021207
"1012968"	1958.120976	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2ACN+H"	83.060376
"1532188"	1959.114608	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+IsoProp+Na+H"	84.054008
"994266"	979.564126	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+2ACN+2H"	84.067652
"1590952"	1960.029228	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+K+HCOOH"	84.968628
"1418798"	1990.060738	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+H+CF3COOH"	115.000138
"1150546"	1000.077401	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+3ACN+2H"	125.094202
"1700828"	2007.087285	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+NH4+CF3COOH"	132.026685
"1639760"	2012.04268	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+Na+CF3COOH"	136.98208
"1579786"	2028.01662	"C05893"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol"	"C94H156N8O26P2"	"1875.0606"	"M+K+CF3COOH"	152.95602
"806869"	1874.0766	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M"	0
"979310"	1855.05821	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-H2O-H"	-19.01839
"70834"	1248.377124	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M-3H"	-3.021828
"515862"	1873.069324	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M-3H"	-3.021828
"892571"	623.684924	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-3H"	-3.021828
"7869"	1873.069324	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M-2H"	-2.014552
"447428"	2810.107624	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M-2H"	-2.014552
"829603"	936.031024	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-2H"	-2.014552
"91784"	3747.145924	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M-H"	-1.007276
"529156"	5621.222524	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M-H"	-1.007276
"906957"	1873.069324	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-H"	-1.007276
"59143"	3764.172471	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M-2H+NH4"	16.019271
"498703"	5638.249071	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M-2H+NH4"	16.019271
"871039"	1890.095871	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-2H+NH4"	16.019271
"42219"	3769.127866	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M-2H+Na"	20.974666
"478861"	5643.204466	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M-2H+Na"	20.974666
"855206"	1895.051266	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-2H+Na"	20.974666
"1620728"	1895.051266	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Na-2H"	20.974666
"102362"	1891.057663	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M-H+Cl"	33.962126
"543017"	2828.095963	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M-H+Cl"	33.962126
"935444"	954.019363	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-H+Cl"	33.962126
"277281"	3783.122602	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+Cl"	34.969402
"672990"	5657.199202	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+Cl"	34.969402
"1286486"	1909.046002	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Cl"	34.969402
"29042"	3785.101806	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M-2H+K"	36.948606
"465320"	5659.178406	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M-2H+K"	36.948606
"845308"	1911.025206	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-2H+K"	36.948606
"1568797"	1911.025206	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+K-2H"	36.948606
"951212"	1919.074794	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-H+HCOOH"	44.998194
"365052"	3793.151401	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+HCOOH-H"	44.998201
"348935"	3807.167051	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+Hac-H"	59.013851
"1493389"	1933.090451	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Hac-H"	59.013851
"958618"	1941.056751	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-H+NaCOOH"	66.980151
"110058"	1909.046002	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+2Cl"	69.938804
"550491"	2846.084302	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+2Cl"	69.938804
"1021485"	972.007702	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2Cl"	69.938804
"1241418"	1952.995485	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Br"	78.918885
"1305331"	1955.051472	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Cl+HCOOH"	80.974872
"1327573"	1977.033429	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Cl+NaCOOH"	102.956829
"919726"	1987.062186	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M-H+CF3COOH"	112.985586
"1297529"	2023.038864	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Cl+CF3COOH"	148.962264
"1372410"	1839.063924	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H-2H2O"	-35.012676
"1390998"	1857.0739	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H-H2O"	-17.0027
"291779"	3749.160476	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+H"	1.007276
"684203"	5623.237076	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+H"	1.007276
"1357271"	1875.083876	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H"	1.007276
"137821"	1875.083876	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+2H"	2.014552
"574097"	2812.122176	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+2H"	2.014552
"1049459"	938.045576	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2H"	2.014552
"214811"	1250.391676	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+3H"	3.021828
"654373"	1875.083876	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+3H"	3.021828
"1177240"	625.699476	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+3H"	3.021828
"430669"	3766.187023	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+NH4"	18.033823
"794945"	5640.263623	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+NH4"	18.033823
"1687996"	1892.110423	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+NH4"	18.033823
"335180"	1883.5971495	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+H+NH4"	19.041099
"729787"	2820.6354495	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+H+NH4"	19.041099
"1481419"	946.5588495	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H+NH4"	19.041099
"395722"	3771.142418	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+Na"	22.989218
"758906"	5645.219018	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+Na"	22.989218
"1607003"	1897.065818	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Na"	22.989218
"319226"	1886.074847	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+H+Na"	23.996494
"710562"	2823.113147	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+H+Na"	23.996494
"1465476"	949.036547	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H+Na"	23.996494
"1057630"	633.02679	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2H+Na"	25.00377
"1262594"	1907.110086	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+CH3OH+H"	33.033486
"386637"	3787.116358	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+K"	38.963158
"748727"	5661.192958	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+K"	38.963158
"1549690"	1913.039758	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+K"	38.963158
"305769"	1894.061817	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+H+K"	39.970434
"696007"	2831.100117	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+H+K"	39.970434
"1452013"	957.023517	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H+K"	39.970434
"247179"	3790.187026	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+ACN+H"	42.033826
"1220980"	1916.110426	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+ACN+H"	42.033826
"1200487"	958.558851	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+ACN+2H"	43.041102
"195546"	3793.12436	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+2Na-H"	44.97116
"632918"	5667.20096	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+2Na-H"	44.97116
"1136429"	1919.04776	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2Na-H"	44.97116
"177531"	1897.065818	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+2Na"	45.978436
"618186"	2834.104118	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+2Na"	45.978436
"1119506"	960.027518	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2Na"	45.978436
"1405217"	640.354104	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H+2Na"	46.985712
"1432959"	1921.089346	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H+HCOOH"	47.012746
"220583"	1902.09884	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+3H2O+2H"	56.04448
"1512174"	1935.14139	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+IsoProp+H"	61.06479
"413684"	1905.052788	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+Na+K"	61.952376
"779059"	2842.091088	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+Na+K"	61.952376
"1674297"	968.014488	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Na+K"	61.952376
"257535"	3812.168968	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+ACN+Na"	64.015768
"1240949"	1938.092368	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+ACN+Na"	64.015768
"1723513"	1938.115893	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+NH4+HCOOH"	64.039293
"1186680"	647.681418	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+3Na"	68.967654
"1658759"	1943.071288	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Na+HCOOH"	68.994688
"164527"	3825.07224	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+2K-H"	76.91904
"605181"	5699.14884	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+2K-H"	76.91904
"1092974"	1950.99564	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2K-H"	76.91904
"146510"	1913.039758	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"2M+2K"	77.926316
"586069"	2850.078058	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"3M+2K"	77.926316
"1077144"	976.001458	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2K"	77.926316
"1107073"	1953.010192	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2K+H"	78.933592
"1342364"	1953.097807	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+DMSO+H"	79.021207
"1009798"	1957.136976	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2ACN+H"	83.060376
"1527924"	1958.130608	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+IsoProp+Na+H"	84.054008
"997653"	979.072126	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+2ACN+2H"	84.067652
"1591061"	1959.045228	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+K+HCOOH"	84.968628
"1417815"	1989.076738	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+H+CF3COOH"	115.000138
"1150656"	999.585401	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+3ACN+2H"	125.094202
"1700938"	2006.103285	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+NH4+CF3COOH"	132.026685
"1638777"	2011.05868	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+Na+CF3COOH"	136.98208
"1579896"	2027.03262	"C05894"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine"	"C94H157N9O25P2"	"1874.0766"	"M+K+CF3COOH"	152.95602
"803699"	2159.1839	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M"	0
"979420"	2140.16551	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-H2O-H"	-19.01839
"70944"	1438.44865733333	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M-3H"	-3.021828
"515976"	2158.176624	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M-3H"	-3.021828
"892681"	718.720690666667	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-3H"	-3.021828
"6886"	2158.176624	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M-2H"	-2.014552
"448633"	3237.768574	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M-2H"	-2.014552
"826437"	1078.584674	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-2H"	-2.014552
"89709"	4317.360524	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M-H"	-1.007276
"529269"	6476.544424	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M-H"	-1.007276
"905975"	2158.176624	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-H"	-1.007276
"57069"	4334.387071	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M-2H+NH4"	16.019271
"496628"	6493.570971	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M-2H+NH4"	16.019271
"871149"	2175.203171	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-2H+NH4"	16.019271
"40875"	4339.342466	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M-2H+Na"	20.974666
"477518"	6498.526366	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M-2H+Na"	20.974666
"859694"	2180.158566	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-2H+Na"	20.974666
"1625944"	2180.158566	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Na-2H"	20.974666
"99556"	2176.164963	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M-H+Cl"	33.962126
"543127"	3255.756913	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M-H+Cl"	33.962126
"936648"	1096.573013	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-H+Cl"	33.962126
"279584"	4353.337202	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+Cl"	34.969402
"672009"	6512.521102	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+Cl"	34.969402
"1286599"	2194.153302	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Cl"	34.969402
"29156"	4355.316406	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M-2H+K"	36.948606
"470171"	6514.500306	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M-2H+K"	36.948606
"847243"	2196.132506	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-2H+K"	36.948606
"1568907"	2196.132506	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+K-2H"	36.948606
"958011"	2204.182094	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-H+HCOOH"	44.998194
"375008"	4363.366001	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+HCOOH-H"	44.998201
"352327"	4377.381651	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+Hac-H"	59.013851
"1501159"	2218.197751	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Hac-H"	59.013851
"964324"	2226.164051	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-H+NaCOOH"	66.980151
"117608"	2194.153302	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+2Cl"	69.938804
"557168"	3273.745252	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+2Cl"	69.938804
"1024873"	1114.561352	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2Cl"	69.938804
"1245546"	2238.102785	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Br"	78.918885
"1306903"	2240.158772	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Cl+HCOOH"	80.974872
"1330963"	2262.140729	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Cl+NaCOOH"	102.956829
"918743"	2272.169486	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M-H+CF3COOH"	112.985586
"1301288"	2308.146164	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Cl+CF3COOH"	148.962264
"1379811"	2124.171224	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H-2H2O"	-35.012676
"1394392"	2142.1812	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H-H2O"	-17.0027
"285329"	4319.375076	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+H"	1.007276
"688331"	6478.558976	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+H"	1.007276
"1365775"	2160.191176	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H"	1.007276
"138300"	2160.191176	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+2H"	2.014552
"577129"	3239.783126	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+2H"	2.014552
"1049204"	1080.599226	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2H"	2.014552
"216752"	1440.46320933333	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+3H"	3.021828
"656671"	2160.191176	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+3H"	3.021828
"1174807"	720.735242666667	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+3H"	3.021828
"437349"	4336.401623	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+NH4"	18.033823
"798346"	6495.585523	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+NH4"	18.033823
"1691395"	2177.217723	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+NH4"	18.033823
"341495"	2168.7044495	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+H+NH4"	19.041099
"730995"	3248.2963995	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+H+NH4"	19.041099
"1488097"	1089.1124995	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H+NH4"	19.041099
"400214"	4341.357018	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+Na"	22.989218
"760113"	6500.540918	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+Na"	22.989218
"1607117"	2182.173118	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Na"	22.989218
"319340"	2171.182147	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+H+Na"	23.996494
"711769"	3250.774097	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+H+Na"	23.996494
"1472881"	1091.590197	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H+Na"	23.996494
"1063942"	728.062556666667	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2H+Na"	25.00377
"1264890"	2192.217386	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+CH3OH+H"	33.033486
"385651"	4357.330958	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+K"	38.963158
"743366"	6516.514858	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+K"	38.963158
"1547614"	2198.147058	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+K"	38.963158
"304790"	2179.169117	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+H+K"	39.970434
"696119"	3258.761067	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+H+K"	39.970434
"1456499"	1099.577167	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H+K"	39.970434
"248383"	4360.401626	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+ACN+H"	42.033826
"1223645"	2201.217726	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+ACN+H"	42.033826
"1201692"	1101.112501	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+ACN+2H"	43.041102
"200031"	4363.33896	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+2Na-H"	44.97116
"639592"	6522.52286	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+2Na-H"	44.97116
"1137633"	2204.15506	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2Na-H"	44.97116
"180922"	2182.173118	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+2Na"	45.978436
"624129"	3261.765068	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+2Na"	45.978436
"1122897"	1102.581168	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2Na"	45.978436
"1403141"	735.389870666667	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H+2Na"	46.985712
"1433070"	2206.196646	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H+HCOOH"	47.012746
"223859"	2187.20614	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+3H2O+2H"	56.04448
"1516297"	2220.24869	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+IsoProp+H"	61.06479
"417079"	2190.160088	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+Na+K"	61.952376
"779169"	3269.752038	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+Na+K"	61.952376
"1676595"	1110.568138	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Na+K"	61.952376
"263844"	4382.383568	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+ACN+Na"	64.015768
"1240205"	2223.199668	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+ACN+Na"	64.015768
"1725445"	2223.223193	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+NH4+HCOOH"	64.039293
"1184602"	742.717184666667	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+3Na"	68.967654
"1657776"	2228.178588	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Na+HCOOH"	68.994688
"166823"	4395.28684	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+2K-H"	76.91904
"605289"	6554.47074	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+2K-H"	76.91904
"1087613"	2236.10294	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2K-H"	76.91904
"144794"	2198.147058	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"2M+2K"	77.926316
"582167"	3277.739008	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"3M+2K"	77.926316
"1070325"	1118.555108	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2K"	77.926316
"1104265"	2238.117492	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2K+H"	78.933592
"1339191"	2238.205107	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+DMSO+H"	79.021207
"1008815"	2242.244276	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2ACN+H"	83.060376
"1527304"	2243.237908	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+IsoProp+Na+H"	84.054008
"991199"	1121.625776	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+2ACN+2H"	84.067652
"1591172"	2244.152528	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+K+HCOOH"	84.968628
"1415735"	2274.184038	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+H+CF3COOH"	115.000138
"1147112"	1142.139051	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+3ACN+2H"	125.094202
"1698858"	2291.210585	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+NH4+CF3COOH"	132.026685
"1635603"	2296.16598	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+Na+CF3COOH"	136.98208
"1580006"	2312.13992	"C05895"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine"	"C104H172N14O30P2"	"2159.1839"	"M+K+CF3COOH"	152.95602
"802025"	1715.9711	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M"	0
"988279"	1696.95271	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-H2O-H"	-19.01839
"76522"	1142.97345733333	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M-3H"	-3.021828
"510618"	1714.963824	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M-3H"	-3.021828
"889515"	570.983090666667	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-3H"	-3.021828
"8090"	1714.963824	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M-2H"	-2.014552
"452025"	2572.949374	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M-2H"	-2.014552
"829828"	856.978274	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-2H"	-2.014552
"91766"	3430.934924	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M-H"	-1.007276
"530109"	5146.906024	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M-H"	-1.007276
"909370"	1714.963824	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-H"	-1.007276
"59368"	3447.961471	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M-2H+NH4"	16.019271
"498927"	5163.932571	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M-2H+NH4"	16.019271
"876366"	1731.990371	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-2H+NH4"	16.019271
"41715"	3452.916866	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M-2H+Na"	20.974666
"483462"	5168.887966	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M-2H+Na"	20.974666
"861262"	1736.945766	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-2H+Na"	20.974666
"1629336"	1736.945766	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Na-2H"	20.974666
"106960"	1732.952163	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M-H+Cl"	33.962126
"545434"	2590.937713	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M-H+Cl"	33.962126
"938955"	874.966613	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-H+Cl"	33.962126
"275325"	3466.911602	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+Cl"	34.969402
"665558"	5182.882702	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+Cl"	34.969402
"1280150"	1750.940502	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Cl"	34.969402
"22705"	3468.890806	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M-2H+K"	36.948606
"463356"	5184.861906	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M-2H+K"	36.948606
"843345"	1752.919706	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-2H+K"	36.948606
"1565738"	1752.919706	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+K-2H"	36.948606
"949246"	1760.969294	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-H+HCOOH"	44.998194
"367462"	3476.940401	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+HCOOH-H"	44.998201
"348063"	3490.956051	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+Hac-H"	59.013851
"1495803"	1774.984951	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Hac-H"	59.013851
"962249"	1782.951251	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-H+NaCOOH"	66.980151
"113342"	1750.940502	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+2Cl"	69.938804
"552904"	2608.926052	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+2Cl"	69.938804
"1022797"	892.954952	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2Cl"	69.938804
"1252222"	1794.889985	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Br"	78.918885
"1316859"	1796.945972	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Cl+HCOOH"	80.974872
"1326703"	1818.927929	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Cl+NaCOOH"	102.956829
"914481"	1828.956686	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M-H+CF3COOH"	112.985586
"1298845"	1864.933364	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Cl+CF3COOH"	148.962264
"1378099"	1680.958424	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H-2H2O"	-35.012676
"1394502"	1698.9684	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H-H2O"	-17.0027
"296388"	3432.949476	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+H"	1.007276
"690631"	5148.920576	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+H"	1.007276
"1365158"	1716.978376	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H"	1.007276
"139137"	1716.978376	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+2H"	2.014552
"579060"	2574.963926	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+2H"	2.014552
"1049690"	858.992826	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2H"	2.014552
"217953"	1144.98800933333	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+3H"	3.021828
"657518"	1716.978376	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+3H"	3.021828
"1175279"	572.997642666667	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+3H"	3.021828
"436001"	3449.976023	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+NH4"	18.033823
"797727"	5165.947123	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+NH4"	18.033823
"1695148"	1734.004923	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+NH4"	18.033823
"343423"	1725.4916495	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+H+NH4"	19.041099
"731104"	2583.4771995	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+H+NH4"	19.041099
"1486019"	867.5060995	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H+NH4"	19.041099
"397407"	3454.931418	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+Na"	22.989218
"757672"	5170.902518	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+Na"	22.989218
"1603945"	1738.960318	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Na"	22.989218
"320551"	1727.969347	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+H+Na"	23.996494
"711879"	2585.954897	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+H+Na"	23.996494
"1472993"	869.983797	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H+Na"	23.996494
"1061134"	580.324956666667	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2H+Na"	25.00377
"1263911"	1749.004586	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+CH3OH+H"	33.033486
"382486"	3470.905358	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+K"	38.963158
"742392"	5186.876458	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+K"	38.963158
"1551005"	1754.934258	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+K"	38.963158
"311464"	1735.956317	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+H+K"	39.970434
"698416"	2593.941867	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+H+K"	39.970434
"1457704"	877.970767	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H+K"	39.970434
"246307"	3473.976026	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+ACN+H"	42.033826
"1221200"	1758.004926	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+ACN+H"	42.033826
"1206179"	879.506101	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+ACN+2H"	43.041102
"200141"	3476.91336	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+2Na-H"	44.97116
"639703"	5192.88446	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+2Na-H"	44.97116
"1136649"	1760.94226	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2Na-H"	44.97116
"184314"	1738.960318	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+2Na"	45.978436
"617315"	2596.945868	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+2Na"	45.978436
"1117663"	880.974768	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2Na"	45.978436
"1401064"	587.652270666667	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H+2Na"	46.985712
"1430050"	1762.983846	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H+HCOOH"	47.012746
"228343"	1743.99334	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+3H2O+2H"	56.04448
"1515312"	1777.03589	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+IsoProp+H"	61.06479
"417189"	1746.947288	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+Na+K"	61.952376
"778185"	2604.932838	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+Na+K"	61.952376
"1676704"	888.961738	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Na+K"	61.952376
"264322"	3495.957968	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+ACN+Na"	64.015768
"1236668"	1779.986868	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+ACN+Na"	64.015768
"1722639"	1780.010393	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+NH4+HCOOH"	64.039293
"1186899"	594.979584666667	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+3Na"	68.967654
"1661167"	1784.965788	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Na+HCOOH"	68.994688
"162559"	3508.86124	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+2K-H"	76.91904
"598837"	5224.83234	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+2K-H"	76.91904
"1086995"	1792.89014	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2K-H"	76.91904
"147821"	1754.934258	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"2M+2K"	77.926316
"588474"	2612.919808	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"3M+2K"	77.926316
"1072988"	896.948708	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2K"	77.926316
"1108385"	1794.904692	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2K+H"	78.933592
"1341488"	1794.992307	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+DMSO+H"	79.021207
"1006736"	1799.031476	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2ACN+H"	83.060376
"1529237"	1800.025108	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+IsoProp+Na+H"	84.054008
"996778"	900.019376	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+2ACN+2H"	84.067652
"1587999"	1800.939728	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+K+HCOOH"	84.968628
"1416940"	1830.971238	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+H+CF3COOH"	115.000138
"1150510"	920.532651	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+3ACN+2H"	125.094202
"1701155"	1847.997785	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+NH4+CF3COOH"	132.026685
"1634986"	1852.95318	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+Na+CF3COOH"	136.98208
"1583397"	1868.92712	"C05897"	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C87H143N7O23P2"	"1715.9711"	"M+K+CF3COOH"	152.95602
"802826"	1919.0504	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M"	0
"989916"	1900.03201	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-H2O-H"	-19.01839
"77768"	1278.35965733333	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M-3H"	-3.021828
"517287"	1918.043124	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M-3H"	-3.021828
"885249"	638.676190666667	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-3H"	-3.021828
"9293"	1918.043124	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M-2H"	-2.014552
"446668"	2877.568324	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M-2H"	-2.014552
"825565"	958.517924	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-2H"	-2.014552
"87743"	3837.093524	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M-H"	-1.007276
"528396"	5756.143924	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M-H"	-1.007276
"905102"	1918.043124	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-H"	-1.007276
"56195"	3854.120071	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M-2H+NH4"	16.019271
"500737"	5773.170471	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M-2H+NH4"	16.019271
"878176"	1935.069671	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-2H+NH4"	16.019271
"45105"	3859.075466	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M-2H+Na"	20.974666
"484666"	5778.125866	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M-2H+Na"	20.974666
"858820"	1940.025066	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-2H+Na"	20.974666
"1628352"	1940.025066	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Na-2H"	20.974666
"104882"	1936.031463	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M-H+Cl"	33.962126
"547609"	2895.556663	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M-H+Cl"	33.962126
"940158"	976.506263	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-H+Cl"	33.962126
"276529"	3873.070202	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+Cl"	34.969402
"667854"	5792.120602	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+Cl"	34.969402
"1280260"	1954.019802	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Cl"	34.969402
"22815"	3875.049406	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M-2H+K"	36.948606
"463466"	5794.099806	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M-2H+K"	36.948606
"844548"	1955.999006	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-2H+K"	36.948606
"1565848"	1955.999006	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+K-2H"	36.948606
"954823"	1964.048594	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-H+HCOOH"	44.998194
"364656"	3883.099001	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+HCOOH-H"	44.998201
"350723"	3897.114651	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+Hac-H"	59.013851
"1498100"	1978.064251	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Hac-H"	59.013851
"962723"	1986.030551	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-H+NaCOOH"	66.980151
"116732"	1954.019802	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+2Cl"	69.938804
"555200"	2913.545002	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+2Cl"	69.938804
"1027283"	994.494602	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2Cl"	69.938804
"1252332"	1997.969285	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Br"	78.918885
"1317700"	2000.025272	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Cl+HCOOH"	80.974872
"1330093"	2022.007229	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Cl+NaCOOH"	102.956829
"923337"	2032.035986	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M-H+CF3COOH"	112.985586
"1302600"	2068.012664	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Cl+CF3COOH"	148.962264
"1380762"	1884.037724	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H-2H2O"	-35.012676
"1397165"	1902.0477	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H-H2O"	-17.0027
"297594"	3839.108076	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+H"	1.007276
"690374"	5758.158476	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+H"	1.007276
"1366365"	1920.057676	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H"	1.007276
"139611"	1920.057676	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+2H"	2.014552
"578077"	2879.582876	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+2H"	2.014552
"1051622"	960.532476	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2H"	2.014552
"218425"	1280.37420933333	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+3H"	3.021828
"657262"	1920.057676	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+3H"	3.021828
"1175756"	640.690742666667	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+3H"	3.021828
"436476"	3856.134623	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+NH4"	18.033823
"797470"	5775.185023	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+NH4"	18.033823
"1694891"	1937.084223	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+NH4"	18.033823
"343896"	1928.5709495	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+H+NH4"	19.041099
"733401"	2888.0961495	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+H+NH4"	19.041099
"1486129"	969.0457495	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H+NH4"	19.041099
"396788"	3861.090018	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+Na"	22.989218
"757782"	5780.140418	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+Na"	22.989218
"1606244"	1942.039618	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Na"	22.989218
"317381"	1931.048647	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+H+Na"	23.996494
"713081"	2890.573847	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+H+Na"	23.996494
"1476020"	971.523447	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H+Na"	23.996494
"1059057"	648.018056666667	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2H+Na"	25.00377
"1269486"	1952.083886	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+CH3OH+H"	33.033486
"390247"	3877.063958	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+K"	38.963158
"743595"	5796.114358	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+K"	38.963158
"1547835"	1958.013558	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+K"	38.963158
"308292"	1939.035617	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+H+K"	39.970434
"699619"	2898.560817	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+H+K"	39.970434
"1458908"	979.510417	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H+K"	39.970434
"248971"	3880.134626	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+ACN+H"	42.033826
"1222407"	1961.084226	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+ACN+H"	42.033826
"1206288"	981.045751	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+ACN+2H"	43.041102
"201346"	3883.07196	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+2Na-H"	44.97116
"638720"	5802.12236	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+2Na-H"	44.97116
"1137852"	1964.02156	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2Na-H"	44.97116
"173852"	1942.039618	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+2Na"	45.978436
"617424"	2901.564818	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+2Na"	45.978436
"1117773"	982.514418	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2Na"	45.978436
"1402267"	655.345370666667	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H+2Na"	46.985712
"1430372"	1966.063146	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H+HCOOH"	47.012746
"224079"	1947.07264	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+3H2O+2H"	56.04448
"1516516"	1980.11519	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+IsoProp+H"	61.06479
"419485"	1950.026588	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+Na+K"	61.952376
"779387"	2909.551788	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+Na+K"	61.952376
"1675721"	990.501388	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Na+K"	61.952376
"261149"	3902.116568	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+ACN+Na"	64.015768
"1236047"	1983.066168	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+ACN+Na"	64.015768
"1720558"	1983.089693	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+NH4+HCOOH"	64.039293
"1185915"	662.672684666667	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+3Na"	68.967654
"1657996"	1988.045088	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Na+HCOOH"	68.994688
"162669"	3915.01984	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+2K-H"	76.91904
"600042"	5834.07024	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+2K-H"	76.91904
"1087834"	1995.96944	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2K-H"	76.91904
"147201"	1958.013558	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"2M+2K"	77.926316
"584574"	2917.538758	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"3M+2K"	77.926316
"1074193"	998.488358	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2K"	77.926316
"1108496"	1997.983992	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2K+H"	78.933592
"1339411"	1998.071607	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+DMSO+H"	79.021207
"1011221"	2002.110776	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2ACN+H"	83.060376
"1530441"	2003.104408	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+IsoProp+Na+H"	84.054008
"996888"	1001.559026	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+2ACN+2H"	84.067652
"1595767"	2004.019028	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+K+HCOOH"	84.968628
"1417048"	2034.050538	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+H+CF3COOH"	115.000138
"1149888"	1022.072301	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+3ACN+2H"	125.094202
"1697028"	2051.077085	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+NH4+CF3COOH"	132.026685
"1635822"	2056.03248	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+Na+CF3COOH"	136.98208
"1583507"	2072.00642	"C05898"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-26-diaminopimeloyl-D-alanyl-D-alanine"	"C95H156N8O28P2"	"1919.0504"	"M+K+CF3COOH"	152.95602
"801840"	244.0736	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M"	0
"986312"	225.05521	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-H2O-H"	-19.01839
"71274"	161.708457333333	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M-3H"	-3.021828
"510838"	243.066324	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M-3H"	-3.021828
"886453"	80.3505906666667	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-3H"	-3.021828
"6123"	243.066324	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M-2H"	-2.014552
"445684"	365.103124	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M-2H"	-2.014552
"825674"	121.029524	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-2H"	-2.014552
"85665"	487.139924	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M-H"	-1.007276
"529599"	731.213524	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M-H"	-1.007276
"905212"	243.066324	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-H"	-1.007276
"59585"	504.166471	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M-2H+NH4"	16.019271
"501579"	748.240071	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M-2H+NH4"	16.019271
"878286"	260.092871	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-2H+NH4"	16.019271
"45215"	509.121866	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M-2H+Na"	20.974666
"486601"	753.195466	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M-2H+Na"	20.974666
"858930"	265.048266	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-2H+Na"	20.974666
"1630649"	265.048266	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Na-2H"	20.974666
"108272"	261.054663	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M-H+Cl"	33.962126
"548570"	383.091463	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M-H+Cl"	33.962126
"941605"	139.017863	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-H+Cl"	33.962126
"278825"	523.116602	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+Cl"	34.969402
"671245"	767.190202	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+Cl"	34.969402
"1282556"	279.043002	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Cl"	34.969402
"28392"	525.095806	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M-2H+K"	36.948606
"463576"	769.169406	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M-2H+K"	36.948606
"847534"	281.022206	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-2H+K"	36.948606
"1569239"	281.022206	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+K-2H"	36.948606
"952746"	289.071794	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-H+HCOOH"	44.998194
"369869"	533.145401	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+HCOOH-H"	44.998201
"353749"	547.161051	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+Hac-H"	59.013851
"1501851"	303.087451	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Hac-H"	59.013851
"965752"	311.053751	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-H+NaCOOH"	66.980151
"115022"	279.043002	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+2Cl"	69.938804
"557496"	401.079802	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+2Cl"	69.938804
"1027393"	157.006202	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2Cl"	69.938804
"1252442"	322.992485	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Br"	78.918885
"1317079"	325.048472	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Cl+HCOOH"	80.974872
"1332388"	347.030429	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Cl+NaCOOH"	102.956829
"923084"	357.059186	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M-H+CF3COOH"	112.985586
"1302346"	393.035864	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Cl+CF3COOH"	148.962264
"1380507"	209.060924	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H-2H2O"	-35.012676
"1396546"	227.0709	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H-H2O"	-17.0027
"297822"	489.154476	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+H"	1.007276
"690848"	733.228076	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+H"	1.007276
"1366114"	245.080876	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H"	1.007276
"141067"	245.080876	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+2H"	2.014552
"581068"	367.117676	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+2H"	2.014552
"1051002"	123.044076	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2H"	2.014552
"219267"	163.723009333333	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+3H"	3.021828
"656647"	245.080876	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+3H"	3.021828
"1172222"	82.3651426666667	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+3H"	3.021828
"436222"	506.181023	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+NH4"	18.033823
"797580"	750.254623	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+NH4"	18.033823
"1691719"	262.107423	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+NH4"	18.033823
"341090"	253.5941495	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+H+NH4"	19.041099
"731324"	375.6309495	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+H+NH4"	19.041099
"1482959"	131.5573495	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H+NH4"	19.041099
"396170"	511.136418	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+Na"	22.989218
"758258"	755.210018	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+Na"	22.989218
"1606354"	267.062818	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Na"	22.989218
"319678"	256.071847	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+H+Na"	23.996494
"712099"	378.108647	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+H+Na"	23.996494
"1468109"	134.035047	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H+Na"	23.996494
"1059167"	89.6924566666667	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2H+Na"	25.00377
"1270689"	277.107086	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+CH3OH+H"	33.033486
"390357"	527.110358	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+K"	38.963158
"748078"	771.183958	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+K"	38.963158
"1554873"	283.036758	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+K"	38.963158
"312776"	264.058817	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+H+K"	39.970434
"706294"	386.095617	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+H+K"	39.970434
"1460842"	142.022017	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H+K"	39.970434
"249444"	530.181026	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+ACN+H"	42.033826
"1223610"	286.107426	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+ACN+H"	42.033826
"1208952"	143.557351	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+ACN+2H"	43.041102
"202547"	533.11836	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+2Na-H"	44.97116
"638829"	777.19196	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+2Na-H"	44.97116
"1136870"	289.04476	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2Na-H"	44.97116
"181253"	267.062818	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+2Na"	45.978436
"617534"	389.099618	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+2Na"	45.978436
"1126507"	145.026018	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2Na"	45.978436
"1399339"	97.0197706666667	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H+2Na"	46.985712
"1433400"	291.086346	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H+HCOOH"	47.012746
"229657"	272.09584	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+3H2O+2H"	56.04448
"1519908"	305.13839	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+IsoProp+H"	61.06479
"417409"	275.049788	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+Na+K"	61.952376
"779497"	397.086588	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+Na+K"	61.952376
"1678387"	153.012988	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Na+K"	61.952376
"262353"	552.162968	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+ACN+Na"	64.015768
"1236157"	308.089368	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+ACN+Na"	64.015768
"1721762"	308.112893	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+NH4+HCOOH"	64.039293
"1184931"	104.347084666667	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+3Na"	68.967654
"1655916"	313.068288	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Na+HCOOH"	68.994688
"161684"	565.06624	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+2K-H"	76.91904
"603433"	809.13984	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+2K-H"	76.91904
"1087944"	320.99264	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2K-H"	76.91904
"145853"	283.036758	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"2M+2K"	77.926316
"584320"	405.073558	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"3M+2K"	77.926316
"1070656"	160.999958	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2K"	77.926316
"1109700"	323.007192	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2K+H"	78.933592
"1339521"	323.094807	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+DMSO+H"	79.021207
"1012424"	327.133976	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2ACN+H"	83.060376
"1531643"	328.127608	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+IsoProp+Na+H"	84.054008
"993717"	164.070626	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+2ACN+2H"	84.067652
"1595876"	329.042228	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+K+HCOOH"	84.968628
"1419344"	359.073738	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+H+CF3COOH"	115.000138
"1149635"	184.583901	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+3ACN+2H"	125.094202
"1697727"	376.100285	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+NH4+CF3COOH"	132.026685
"1635202"	381.05568	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+Na+CF3COOH"	136.98208
"1583617"	397.02962	"C05901"	"Piceatannol;3345-Tetrahydroxystilbene"	"C14H12O4"	"244.0736"	"M+K+CF3COOH"	152.95602
"816414"	300.0634	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M"	0
"989741"	281.04501	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"77582"	199.034990666667	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"514228"	299.056124	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"887657"	99.0138573333333	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"7326"	299.056124	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"445793"	449.087824	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"825785"	149.024424	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"90149"	599.119524	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"533354"	899.182924	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"905322"	299.056124	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"59695"	616.146071	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"502665"	916.209471	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"879619"	316.082671	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"45689"	621.101466	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"486224"	921.164866	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"860133"	321.038066	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1627479"	321.038066	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"108382"	317.044463	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"545765"	467.076163	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"941112"	167.012763	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"280395"	635.096202	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"673788"	935.159602	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1284854"	335.032802	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"29595"	637.075406	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"466966"	937.138806	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"846956"	337.012006	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1570809"	337.012006	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"954678"	345.061594	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"371072"	645.125001	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"356045"	659.140651	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1501961"	359.077251	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"966951"	367.043551	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"116953"	335.032802	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"555419"	485.064502	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1027503"	185.001102	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1252552"	378.982285	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1319375"	381.038272	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1329215"	403.020229	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"925018"	413.048986	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1299904"	449.025664	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1381713"	265.050724	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1396656"	283.0607	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"298296"	601.134076	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"688772"	901.197476	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1366590"	301.070676	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"140199"	301.070676	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"579393"	451.102376	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1052086"	151.038976	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"216458"	201.049542666667	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"657850"	301.070676	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1174153"	101.028409333333	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"438761"	618.160623	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"800117"	918.224023	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1688547"	318.097223	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"337920"	309.5839495	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"727425"	459.6156495	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1483432"	159.5522495	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"397373"	623.116018	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"761648"	923.179418	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1607558"	323.052618	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"319788"	312.061647	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"711116"	462.093347	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1468217"	162.029947	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1058181"	108.355723333333	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1268611"	333.096886	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"391561"	639.089958	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"752558"	939.153358	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1555531"	339.026558	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"312522"	320.048617	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"706159"	470.080317	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1460918"	170.016917	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"250403"	642.160626	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1225302"	342.097226	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1209670"	171.552251	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"202665"	645.09796	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"642225"	945.16136	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1145364"	345.03456	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"186834"	323.052618	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"624205"	473.084318	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1127712"	173.020918	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1406864"	115.683037333333	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1440071"	347.076146	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"232686"	328.08564	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1521481"	361.12819	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"420804"	331.039588	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"783626"	481.071288	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1677768"	181.007888	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"258091"	664.142568	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1234080"	364.079168	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1722966"	364.102693	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1185043"	123.010351333333	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1658217"	369.058088	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"165076"	677.04584	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"598561"	977.10924	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1092428"	376.98244	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"148151"	339.026558	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"585526"	489.058258	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1074412"	188.994858	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1105434"	378.996992	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1344003"	379.084607	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1016910"	383.123776	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1528472"	384.117408	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"994920"	192.065526	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1590518"	385.032028	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1419455"	415.063538	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1151932"	212.578801	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1698203"	432.090085	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1638233"	437.04548	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1580447"	453.01942	"C05902"	"3-Methoxyapigenin;3-O-Methylkaempferol"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"802063"	286.0477	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M"	0
"986532"	267.02931	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"76234"	189.691190666667	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"511058"	285.040424	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"886674"	94.3419573333333	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"4156"	285.040424	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"448090"	428.064274	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"825895"	142.016574	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"86979"	571.088124	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"530911"	857.135824	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"898872"	285.040424	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"57618"	588.114671	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"501433"	874.162371	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"872795"	302.066971	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"37416"	593.070066	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"483535"	879.117766	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"859150"	307.022366	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1622120"	307.022366	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"105212"	303.028763	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"545875"	446.052613	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"940856"	160.004913	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"279774"	607.064802	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"672559"	893.112502	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1283871"	321.017102	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"28612"	609.044006	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"463796"	895.091706	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"847066"	322.996306	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1567272"	322.996306	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"949685"	331.045894	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"370089"	617.093601	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"352876"	631.109251	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1499520"	345.061551	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"961593"	353.027851	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"115968"	321.017102	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"554436"	464.040952	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1023238"	177.993252	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1252662"	364.966585	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1318758"	367.022572	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1332605"	389.004529	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"925859"	399.033286	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1299650"	435.009964	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1380850"	251.035024	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1396402"	269.045	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"298245"	573.102676	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"689245"	859.150376	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1366897"	287.054976	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"138848"	287.054976	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"579501"	430.078826	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1048662"	144.031126	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"214744"	191.705742666667	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"657230"	287.054976	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1174627"	96.3565093333333	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"437533"	590.129223	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"799984"	876.176923	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1688657"	304.081523	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"338029"	295.5682495	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"727535"	438.5920995	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1482085"	152.5443995	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"394202"	595.084618	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"761758"	881.132318	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1607668"	309.036918	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"316006"	298.045947	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"710494"	441.069797	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1468327"	155.022097	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1057198"	103.683823333333	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1268721"	319.081186	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"389484"	611.058558	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"749388"	897.106258	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1555255"	325.010858	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"312996"	306.032917	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"705418"	449.056767	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1461163"	163.009067	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"248932"	614.129226	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1224194"	328.081526	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1209493"	164.544401	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"201677"	617.06656	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"639783"	903.11426	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1145109"	331.01886	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"186944"	309.036918	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"619941"	452.060768	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1123448"	166.013068	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1408067"	111.011137333333	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1436901"	333.060446	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"229877"	314.06994	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1523050"	347.11249	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"423100"	317.023888	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"783371"	460.047738	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1679700"	174.000038	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"258202"	636.111168	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1237470"	350.063468	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1723078"	350.086993	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1185153"	118.338451333333	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1659421"	355.042388	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"160813"	649.01444	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"599400"	935.06214	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1092538"	362.96674	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"145345"	325.010858	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"586000"	468.034708	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1075615"	181.987008	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1107731"	364.981292	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1340833"	365.068907	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1017020"	369.108076	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1529675"	370.101708	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"992843"	185.057676	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1587954"	371.016328	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1417377"	401.047838	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1150946"	205.570951	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1697340"	418.074385	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1638343"	423.02978	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1580557"	439.00372	"C05903"	"Kaempferol;3457-Tetrahydroxyflavone;357-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;574-Trihydroxyflavonol;CI 75640;Indigo yellow;Kaempherol;Kempferol;Nimbecetin;Pelargidenolon;Populnetin;Rhamnolutein;Rhamnolutin;Robigenin;Swartziol;Trifolitin"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"801591"	271.0606	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M"	0
"986642"	252.04221	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-H2O-H"	-19.01839
"74886"	179.699790666667	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M-3H"	-3.021828
"506794"	270.053324	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M-3H"	-3.021828
"886784"	89.3462573333333	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-3H"	-3.021828
"2079"	270.053324	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M-2H"	-2.014552
"447106"	405.583624	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M-2H"	-2.014552
"826005"	134.523024	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-2H"	-2.014552
"87089"	541.113924	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M-H"	-1.007276
"527741"	812.174524	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M-H"	-1.007276
"898982"	270.053324	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-H"	-1.007276
"54448"	558.140471	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M-2H+NH4"	16.019271
"498381"	829.201071	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M-2H+NH4"	16.019271
"870718"	287.079871	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-2H+NH4"	16.019271
"37526"	563.095866	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M-2H+Na"	20.974666
"479272"	834.156466	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M-2H+Na"	20.974666
"858165"	292.035266	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-2H+Na"	20.974666
"1621137"	292.035266	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Na-2H"	20.974666
"106416"	288.041663	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M-H+Cl"	33.962126
"544892"	423.571963	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M-H+Cl"	33.962126
"942060"	152.511363	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-H+Cl"	33.962126
"279156"	577.090602	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+Cl"	34.969402
"671576"	848.151202	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+Cl"	34.969402
"1283980"	306.030002	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Cl"	34.969402
"28358"	579.069806	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M-2H+K"	36.948606
"463906"	850.130406	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M-2H+K"	36.948606
"846083"	308.009206	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-2H+K"	36.948606
"1566654"	308.009206	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+K-2H"	36.948606
"950888"	316.058794	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-H+HCOOH"	44.998194
"369106"	587.119401	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+HCOOH-H"	44.998201
"351894"	601.135051	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+Hac-H"	59.013851
"1498537"	330.074451	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Hac-H"	59.013851
"962797"	338.040751	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-H+NaCOOH"	66.980151
"118265"	306.030002	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+2Cl"	69.938804
"554546"	441.560302	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+2Cl"	69.938804
"1024438"	170.499702	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2Cl"	69.938804
"1252772"	349.979485	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Br"	78.918885
"1317775"	352.035472	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Cl+HCOOH"	80.974872
"1329435"	374.017429	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Cl+NaCOOH"	102.956829
"922318"	384.046186	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M-H+CF3COOH"	112.985586
"1302309"	420.022864	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Cl+CF3COOH"	148.962264
"1381810"	236.047924	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H-2H2O"	-35.012676
"1396145"	254.0579	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H-H2O"	-17.0027
"298439"	543.128476	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+H"	1.007276
"688991"	814.189076	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+H"	1.007276
"1366441"	272.067876	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H"	1.007276
"137500"	272.067876	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+2H"	2.014552
"578883"	407.598176	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+2H"	2.014552
"1048772"	136.537576	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2H"	2.014552
"217764"	181.714342666667	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+3H"	3.021828
"659404"	272.067876	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+3H"	3.021828
"1176558"	91.3608093333333	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+3H"	3.021828
"438735"	560.155023	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+NH4"	18.033823
"799729"	831.215623	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+NH4"	18.033823
"1689860"	289.094423	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+NH4"	18.033823
"334859"	280.5811495	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+H+NH4"	19.041099
"724362"	416.1114495	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+H+NH4"	19.041099
"1483288"	145.0508495	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H+NH4"	19.041099
"396499"	565.110418	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+Na"	22.989218
"755671"	836.171018	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+Na"	22.989218
"1605591"	294.049818	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Na"	22.989218
"315752"	283.058847	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+H+Na"	23.996494
"707809"	418.589147	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+H+Na"	23.996494
"1465157"	147.528547	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H+Na"	23.996494
"1056215"	98.6881233333333	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2H+Na"	25.00377
"1271627"	304.094086	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+CH3OH+H"	33.033486
"391660"	581.084358	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+K"	38.963158
"750592"	852.144958	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+K"	38.963158
"1555083"	310.023758	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+K"	38.963158
"310920"	291.045817	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+H+K"	39.970434
"705528"	426.576117	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+H+K"	39.970434
"1460565"	155.515517	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H+K"	39.970434
"250135"	584.155026	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+ACN+H"	42.033826
"1224063"	313.094426	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+ACN+H"	42.033826
"1207823"	157.050851	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+ACN+2H"	43.041102
"200693"	587.09236	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+2Na-H"	44.97116
"640253"	858.15296	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+2Na-H"	44.97116
"1141572"	316.03176	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2Na-H"	44.97116
"182676"	294.049818	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+2Na"	45.978436
"622237"	429.580118	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+2Na"	45.978436
"1123556"	158.519518	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2Na"	45.978436
"1401613"	106.015437333333	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H+2Na"	46.985712
"1435916"	318.073346	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H+HCOOH"	47.012746
"222330"	299.08284	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+3H2O+2H"	56.04448
"1516958"	332.12539	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+IsoProp+H"	61.06479
"423211"	302.036788	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+Na+K"	61.952376
"782025"	437.567088	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+Na+K"	61.952376
"1679810"	166.506488	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Na+K"	61.952376
"259405"	606.136968	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+ACN+Na"	64.015768
"1236486"	335.076368	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+ACN+Na"	64.015768
"1725738"	335.099893	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+NH4+HCOOH"	64.039293
"1187448"	113.342751333333	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+3Na"	68.967654
"1657343"	340.055288	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Na+HCOOH"	68.994688
"159828"	619.04024	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+2K-H"	76.91904
"598417"	890.10084	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+2K-H"	76.91904
"1087181"	347.97964	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2K-H"	76.91904
"145091"	310.023758	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"2M+2K"	77.926316
"587932"	445.554058	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"3M+2K"	77.926316
"1075725"	174.493458	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2K"	77.926316
"1108934"	349.994192	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2K+H"	78.933592
"1338756"	350.081807	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+DMSO+H"	79.021207
"1014943"	354.120976	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2ACN+H"	83.060376
"1527599"	355.114608	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+IsoProp+Na+H"	84.054008
"994046"	177.564126	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+2ACN+2H"	84.067652
"1588551"	356.029228	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+K+HCOOH"	84.968628
"1417487"	386.060738	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+H+CF3COOH"	115.000138
"1149962"	198.077401	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+3ACN+2H"	125.094202
"1697125"	403.087285	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+NH4+CF3COOH"	132.026685
"1638453"	408.04268	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+Na+CF3COOH"	136.98208
"1580667"	424.01662	"C05904"	"Pelargonidin;357-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;3457-Tetrahydroxyflavylium chloride;Pelargonidin chloride;Pelargonidol chloride"	"C15H11O5"	"271.0606"	"M+K+CF3COOH"	152.95602
"802647"	287.0556	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M"	0
"986752"	268.03721	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-H2O-H"	-19.01839
"74996"	190.363124	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M-3H"	-3.021828
"505811"	286.048324	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M-3H"	-3.021828
"885801"	94.677924	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-3H"	-3.021828
"851"	286.048324	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M-2H"	-2.014552
"449403"	429.576124	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M-2H"	-2.014552
"826115"	142.520524	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-2H"	-2.014552
"87199"	573.103924	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M-H"	-1.007276
"527851"	860.159524	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M-H"	-1.007276
"899092"	286.048324	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-H"	-1.007276
"57838"	590.130471	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M-2H+NH4"	16.019271
"498491"	877.186071	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M-2H+NH4"	16.019271
"870828"	303.074871	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-2H+NH4"	16.019271
"35449"	595.085866	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M-2H+Na"	20.974666
"479381"	882.141466	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M-2H+Na"	20.974666
"859368"	308.030266	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-2H+Na"	20.974666
"1624527"	308.030266	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Na-2H"	20.974666
"106526"	304.036663	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M-H+Cl"	33.962126
"541713"	447.564463	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M-H+Cl"	33.962126
"935228"	160.508863	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-H+Cl"	33.962126
"268680"	609.080602	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+Cl"	34.969402
"671679"	896.136202	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+Cl"	34.969402
"1285907"	322.025002	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Cl"	34.969402
"29558"	611.059806	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M-2H+K"	36.948606
"467658"	898.115406	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M-2H+K"	36.948606
"844731"	324.004206	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-2H+K"	36.948606
"1566398"	324.004206	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+K-2H"	36.948606
"948812"	332.053794	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-H+HCOOH"	44.998194
"369216"	619.109401	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+HCOOH-H"	44.998201
"348724"	633.125051	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+Hac-H"	59.013851
"1494275"	346.069451	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Hac-H"	59.013851
"962906"	354.035751	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-H+NaCOOH"	66.980151
"114001"	322.025002	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+2Cl"	69.938804
"552468"	465.552802	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+2Cl"	69.938804
"1026732"	178.497202	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2Cl"	69.938804
"1242429"	365.974485	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Br"	78.918885
"1316423"	368.030472	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Cl+HCOOH"	80.974872
"1329545"	390.012429	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Cl+NaCOOH"	102.956829
"923885"	400.041186	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M-H+CF3COOH"	112.985586
"1302419"	436.017864	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Cl+CF3COOH"	148.962264
"1376569"	252.042924	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H-2H2O"	-35.012676
"1392973"	270.0529	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H-H2O"	-17.0027
"297653"	575.118476	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+H"	1.007276
"688005"	862.174076	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+H"	1.007276
"1365704"	288.062876	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H"	1.007276
"137611"	288.062876	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+2H"	2.014552
"578628"	431.590676	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+2H"	2.014552
"1047059"	144.535076	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2H"	2.014552
"218238"	192.377676	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+3H"	3.021828
"657818"	288.062876	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+3H"	3.021828
"1176669"	96.692476	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+3H"	3.021828
"438848"	592.145023	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+NH4"	18.033823
"800651"	879.200623	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+NH4"	18.033823
"1692887"	305.089423	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+NH4"	18.033823
"334969"	296.5761495	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+H+NH4"	19.041099
"724473"	440.1039495	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+H+NH4"	19.041099
"1485585"	153.0483495	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H+NH4"	19.041099
"396609"	597.100418	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+Na"	22.989218
"755902"	884.156018	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+Na"	22.989218
"1603997"	310.044818	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Na"	22.989218
"316104"	299.053847	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+H+Na"	23.996494
"708283"	442.581647	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+H+Na"	23.996494
"1465267"	155.526047	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H+Na"	23.996494
"1058511"	104.01979	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2H+Na"	25.00377
"1270035"	320.089086	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+CH3OH+H"	33.033486
"389705"	613.074358	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+K"	38.963158
"750337"	900.129958	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+K"	38.963158
"1552390"	326.018758	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+K"	38.963158
"312489"	307.040817	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+H+K"	39.970434
"705275"	450.568617	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+H+K"	39.970434
"1460191"	163.513017	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H+K"	39.970434
"248788"	616.145026	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+ACN+H"	42.033826
"1224656"	329.089426	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+ACN+H"	42.033826
"1208295"	165.048351	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+ACN+2H"	43.041102
"202261"	619.08236	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+2Na-H"	44.97116
"641457"	906.13796	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+2Na-H"	44.97116
"1142775"	332.02676	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2Na-H"	44.97116
"182786"	310.044818	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+2Na"	45.978436
"623440"	453.572618	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+2Na"	45.978436
"1124760"	166.517018	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2Na"	45.978436
"1405003"	111.347104	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H+2Na"	46.985712
"1437119"	334.068346	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H+HCOOH"	47.012746
"222803"	315.07784	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+3H2O+2H"	56.04448
"1519256"	348.12039	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+IsoProp+H"	61.06479
"422226"	318.031788	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+Na+K"	61.952376
"782135"	461.559588	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+Na+K"	61.952376
"1680651"	174.503988	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Na+K"	61.952376
"261703"	638.126968	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+ACN+Na"	64.015768
"1237690"	351.071368	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+ACN+Na"	64.015768
"1725120"	351.094893	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+NH4+HCOOH"	64.039293
"1186466"	118.674418	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+3Na"	68.967654
"1657453"	356.050288	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Na+HCOOH"	68.994688
"161031"	651.03024	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+2K-H"	76.91904
"597554"	938.08584	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+2K-H"	76.91904
"1088385"	363.97464	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2K-H"	76.91904
"145201"	326.018758	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"2M+2K"	77.926316
"588042"	469.546558	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"3M+2K"	77.926316
"1074742"	182.490958	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2K"	77.926316
"1105765"	365.989192	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2K+H"	78.933592
"1338867"	366.076807	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+DMSO+H"	79.021207
"1013959"	370.115976	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2ACN+H"	83.060376
"1526616"	371.109608	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+IsoProp+Na+H"	84.054008
"993063"	185.561626	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+2ACN+2H"	84.067652
"1587932"	372.024228	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+K+HCOOH"	84.968628
"1417597"	402.055738	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+H+CF3COOH"	115.000138
"1150436"	206.074901	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+3ACN+2H"	125.094202
"1697802"	419.082285	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+NH4+CF3COOH"	132.026685
"1638563"	424.03768	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+Na+CF3COOH"	136.98208
"1580777"	440.01162	"C05905"	"Cyanidin;33457-Pentahydroxyflavylium chloride;Chlorure de 33457-pentahydroxyflavylium;33457-Pentahydroxyflavyliumchlorid;2-(34-Dihydroxyphenyl)-357-trihydroxy-1-benzopyrylium chloride;33457-Pentahydroxy-2-phenylbenzopyrylium chloride;Cyanidin chloride;Cyanidine;Cyanidol;Cyanidol chloride;IdB 1027"	"C15H11O6"	"287.0556"	"M+K+CF3COOH"	152.95602
"811141"	306.074	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M"	0
"988321"	287.05561	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-H2O-H"	-19.01839
"76564"	203.042057333333	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M-3H"	-3.021828
"512481"	305.066724	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M-3H"	-3.021828
"882265"	101.017390666667	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-3H"	-3.021828
"2299"	305.066724	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M-2H"	-2.014552
"449513"	458.103724	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M-2H"	-2.014552
"822944"	152.029724	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-2H"	-2.014552
"86216"	611.140724	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M-H"	-1.007276
"527961"	917.214724	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M-H"	-1.007276
"900295"	305.066724	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-H"	-1.007276
"57948"	628.167271	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M-2H+NH4"	16.019271
"498601"	934.241271	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M-2H+NH4"	16.019271
"870938"	322.093271	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-2H+NH4"	16.019271
"37745"	633.122666	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M-2H+Na"	20.974666
"481678"	939.196666	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M-2H+Na"	20.974666
"859478"	327.048666	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-2H+Na"	20.974666
"1624636"	327.048666	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Na-2H"	20.974666
"109430"	323.055063	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M-H+Cl"	33.962126
"546197"	476.092063	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M-H+Cl"	33.962126
"932058"	170.018063	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-H+Cl"	33.962126
"269518"	647.117402	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+Cl"	34.969402
"671789"	953.191402	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+Cl"	34.969402
"1284195"	341.043402	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Cl"	34.969402
"29302"	649.096606	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M-2H+K"	36.948606
"468496"	955.170606	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M-2H+K"	36.948606
"843018"	343.022606	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-2H+K"	36.948606
"1568327"	343.022606	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+K-2H"	36.948606
"957303"	351.072194	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-H+HCOOH"	44.998194
"372606"	657.146201	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+HCOOH-H"	44.998201
"351021"	671.161851	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+Hac-H"	59.013851
"1495113"	365.087851	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Hac-H"	59.013851
"964473"	373.054151	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-H+NaCOOH"	66.980151
"114110"	341.043402	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+2Cl"	69.938804
"553671"	494.080402	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+2Cl"	69.938804
"1024656"	188.006402	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2Cl"	69.938804
"1243147"	384.992885	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Br"	78.918885
"1316533"	387.048872	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Cl+HCOOH"	80.974872
"1328561"	409.030829	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Cl+NaCOOH"	102.956829
"923632"	419.059586	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M-H+CF3COOH"	112.985586
"1301435"	455.036264	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Cl+CF3COOH"	148.962264
"1378502"	271.061324	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H-2H2O"	-35.012676
"1391989"	289.0713	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H-H2O"	-17.0027
"293139"	613.155276	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+H"	1.007276
"683009"	919.229276	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+H"	1.007276
"1364832"	307.081276	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H"	1.007276
"138084"	307.081276	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+2H"	2.014552
"578375"	460.118276	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+2H"	2.014552
"1046441"	154.044276	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2H"	2.014552
"216892"	205.056609333333	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+3H"	3.021828
"649161"	307.081276	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+3H"	3.021828
"1174950"	103.031942666667	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+3H"	3.021828
"438224"	630.181823	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+NH4"	18.033823
"800314"	936.255823	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+NH4"	18.033823
"1690081"	324.107823	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+NH4"	18.033823
"335079"	315.5945495	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+H+NH4"	19.041099
"723610"	468.6315495	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+H+NH4"	19.041099
"1486788"	162.5575495	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H+NH4"	19.041099
"396719"	635.137218	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+Na"	22.989218
"755527"	941.211218	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+Na"	22.989218
"1603132"	329.063218	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Na"	22.989218
"315851"	318.072247	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+H+Na"	23.996494
"708029"	471.109247	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+H+Na"	23.996494
"1465377"	165.035247	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H+Na"	23.996494
"1055339"	110.359256666667	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2H+Na"	25.00377
"1267958"	339.107486	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+CH3OH+H"	33.033486
"392002"	651.111158	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+K"	38.963158
"750811"	957.185158	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+K"	38.963158
"1552864"	345.037158	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+K"	38.963158
"313572"	326.059217	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+H+K"	39.970434
"706359"	479.096217	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+H+K"	39.970434
"1460828"	173.022217	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H+K"	39.970434
"250355"	654.181826	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+ACN+H"	42.033826
"1224156"	348.107826	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+ACN+H"	42.033826
"1206946"	174.557551	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+ACN+2H"	43.041102
"203098"	657.11916	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+2Na-H"	44.97116
"637190"	963.19316	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+2Na-H"	44.97116
"1141791"	351.04516	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2Na-H"	44.97116
"177427"	329.063218	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+2Na"	45.978436
"621361"	482.100218	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+2Na"	45.978436
"1121587"	176.026218	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2Na"	45.978436
"1400369"	117.686570666667	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H+2Na"	46.985712
"1433946"	353.086746	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H+HCOOH"	47.012746
"222549"	334.09624	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+3H2O+2H"	56.04448
"1520460"	367.13879	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+IsoProp+H"	61.06479
"421971"	337.050188	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+Na+K"	61.952376
"785037"	490.087188	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+Na+K"	61.952376
"1681237"	184.013188	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Na+K"	61.952376
"261814"	676.163768	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+ACN+Na"	64.015768
"1239867"	370.089768	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+ACN+Na"	64.015768
"1723408"	370.113293	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+NH4+HCOOH"	64.039293
"1188762"	125.013884666667	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+3Na"	68.967654
"1660844"	375.068688	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Na+HCOOH"	68.994688
"164423"	689.06704	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+2K-H"	76.91904
"600703"	995.14104	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+2K-H"	76.91904
"1087402"	382.99304	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2K-H"	76.91904
"143125"	345.037158	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"2M+2K"	77.926316
"585237"	498.074158	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"3M+2K"	77.926316
"1074853"	192.000158	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2K"	77.926316
"1102961"	385.007592	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2K+H"	78.933592
"1341164"	385.095207	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+DMSO+H"	79.021207
"1012976"	389.134376	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2ACN+H"	83.060376
"1525875"	390.128008	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+IsoProp+Na+H"	84.054008
"992079"	195.070826	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+2ACN+2H"	84.067652
"1588041"	391.042628	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+K+HCOOH"	84.968628
"1416614"	421.074138	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+H+CF3COOH"	115.000138
"1147996"	215.584101	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+3ACN+2H"	125.094202
"1699738"	438.100685	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+NH4+CF3COOH"	132.026685
"1634333"	443.05608	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+Na+CF3COOH"	136.98208
"1580887"	459.03002	"C05906"	"Leucocyanidin;2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-3457-tetrol;334457-Flavanhexol;34-Cyanidiol;Leucoanthocyanidol;Leucocianidol;Leucocyanidol;Leukocyanidine;Procyanidol;Resivit;23-trans-34-cis-Leucocyanidin"	"C15H14O7"	"306.074"	"M+K+CF3COOH"	152.95602
"804690"	290.079	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M"	0
"986972"	271.06061	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"71934"	192.378724	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"510406"	289.071724	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"880024"	95.685724	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"2409"	289.071724	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"444156"	434.111224	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"821961"	144.032224	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"84140"	579.150724	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"526978"	869.229724	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"900405"	289.071724	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"60245"	596.177271	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"498711"	886.256271	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"869955"	306.098271	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"41135"	601.132666	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"480695"	891.211666	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"857402"	311.053666	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1622195"	311.053666	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"106746"	307.060063	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"545214"	452.099563	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"932168"	162.020563	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"268900"	615.127402	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"669713"	905.206402	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1281025"	325.048402	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"27226"	617.106606	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"467513"	907.185606	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"843128"	327.027606	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1569166"	327.027606	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"957778"	335.077194	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"372716"	625.156201	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"350037"	639.171851	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1494495"	349.092851	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"962032"	357.059151	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"112398"	325.048402	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"551959"	470.087902	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1024038"	180.008902	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1243257"	368.997885	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1316279"	371.053872	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1328671"	393.035829	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"924106"	403.064586	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1299357"	439.041264	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1378612"	255.066324	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1394650"	273.0763	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"293977"	581.165276	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"683117"	871.244276	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1365427"	291.086276	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"138921"	291.086276	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"577388"	436.125776	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1042904"	146.046776	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"214814"	194.393276	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"648178"	291.086276	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1176153"	97.700276	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"437968"	598.191823	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"792765"	888.270823	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1689097"	308.112823	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"335189"	299.5995495	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"723963"	444.6390495	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1480338"	154.5600495	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"393549"	603.147218	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"755637"	893.226218	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1603733"	313.068218	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"315108"	302.077247	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"708018"	447.116747	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1463299"	157.037747	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1054110"	105.02759	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1266975"	323.112486	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"388832"	619.121158	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"747641"	909.200158	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1551881"	329.042158	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"311250"	310.064217	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"704402"	455.103717	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1460043"	165.024717	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"249371"	622.191826	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1223172"	332.112826	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1203776"	166.560051	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"199928"	625.12916	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"637300"	915.20816	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1140808"	335.05016	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"177537"	313.068218	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"620378"	458.107718	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1118417"	168.028718	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1399387"	112.354904	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1431382"	337.091746	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"223023"	318.10124	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1521662"	351.14379	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"420988"	321.055188	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"785107"	466.094688	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1681238"	176.015688	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"261923"	644.173768	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1239004"	354.094768	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1722424"	354.118293	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1183405"	119.682218	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1655485"	359.073688	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"161252"	657.07704	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"607374"	947.15604	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1092980"	366.99804	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"150888"	329.042158	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"584983"	474.081658	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1074961"	184.002658	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1103799"	369.012592	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1344554"	369.100207	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1013086"	373.139376	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1526832"	374.133008	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"992554"	187.073326	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1587907"	375.047628	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1416726"	405.079138	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1149200"	207.586601	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1699848"	422.105685	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1634254"	427.06108	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1580997"	443.03502	"C05907"	"Luteoforol;3-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"801884"	303.0505	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M"	0
"986718"	284.03211	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-H2O-H"	-19.01839
"72044"	201.026390666667	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M-3H"	-3.021828
"512703"	302.043224	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M-3H"	-3.021828
"882121"	100.009557333333	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-3H"	-3.021828
"1061"	302.043224	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M-2H"	-2.014552
"448640"	453.568474	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M-2H"	-2.014552
"820978"	150.517974	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-2H"	-2.014552
"83156"	605.093724	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M-H"	-1.007276
"529276"	908.144224	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M-H"	-1.007276
"903795"	302.043224	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-H"	-1.007276
"62019"	622.120271	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M-2H+NH4"	16.019271
"502105"	925.170771	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M-2H+NH4"	16.019271
"875532"	319.069771	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-2H+NH4"	16.019271
"43432"	627.075666	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M-2H+Na"	20.974666
"485058"	930.126166	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M-2H+Na"	20.974666
"856419"	324.025166	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-2H+Na"	20.974666
"1622670"	324.025166	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Na-2H"	20.974666
"102481"	320.031563	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M-H+Cl"	33.962126
"545324"	471.556813	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M-H+Cl"	33.962126
"933371"	168.506313	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-H+Cl"	33.962126
"268646"	641.070402	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+Cl"	34.969402
"672010"	944.120902	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+Cl"	34.969402
"1283322"	338.019902	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Cl"	34.969402
"28794"	643.049606	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M-2H+K"	36.948606
"467624"	946.100106	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M-2H+K"	36.948606
"844331"	339.999106	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-2H+K"	36.948606
"1569641"	339.999106	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+K-2H"	36.948606
"958133"	348.048694	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-H+HCOOH"	44.998194
"366264"	651.099201	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+HCOOH-H"	44.998201
"348325"	665.114851	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+Hac-H"	59.013851
"1494969"	362.064351	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Hac-H"	59.013851
"962506"	370.030651	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-H+NaCOOH"	66.980151
"112872"	338.019902	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+2Cl"	69.938804
"552068"	489.545152	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+2Cl"	69.938804
"1025969"	186.494652	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2Cl"	69.938804
"1243367"	381.969385	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Br"	78.918885
"1316389"	384.025372	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Cl+HCOOH"	80.974872
"1326594"	406.007329	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Cl+NaCOOH"	102.956829
"922028"	416.036086	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M-H+CF3COOH"	112.985586
"1298738"	452.012764	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Cl+CF3COOH"	148.962264
"1378722"	268.037824	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H-2H2O"	-35.012676
"1392208"	286.0478	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H-H2O"	-17.0027
"292993"	607.108276	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+H"	1.007276
"686507"	910.158776	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+H"	1.007276
"1363592"	304.057776	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H"	1.007276
"136845"	304.057776	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+2H"	2.014552
"576041"	455.583026	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+2H"	2.014552
"1045930"	152.532526	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2H"	2.014552
"213101"	203.040942666667	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+3H"	3.021828
"649382"	304.057776	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+3H"	3.021828
"1174805"	102.024109333333	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+3H"	3.021828
"432975"	624.134823	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+NH4"	18.033823
"785697"	927.185323	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+NH4"	18.033823
"1685927"	321.084323	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+NH4"	18.033823
"332019"	312.5710495	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+H+NH4"	19.041099
"722857"	464.0962995	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+H+NH4"	19.041099
"1487007"	161.0457995	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H+NH4"	19.041099
"393659"	629.090218	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+Na"	22.989218
"755014"	932.140718	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+Na"	22.989218
"1607121"	326.039718	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Na"	22.989218
"314367"	315.048747	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+H+Na"	23.996494
"707517"	466.573997	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+H+Na"	23.996494
"1463045"	163.523497	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H+Na"	23.996494
"1052795"	109.351423333333	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2H+Na"	25.00377
"1261982"	336.083986	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+CH3OH+H"	33.033486
"385661"	645.064158	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+K"	38.963158
"745564"	948.114658	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+K"	38.963158
"1550897"	342.013658	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+K"	38.963158
"311360"	323.035717	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+H+K"	39.970434
"704512"	474.560967	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+H+K"	39.970434
"1459789"	171.510467	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H+K"	39.970434
"249481"	648.134826	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+ACN+H"	42.033826
"1221096"	345.084326	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+ACN+H"	42.033826
"1201700"	173.045801	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+ACN+2H"	43.041102
"198945"	651.07216	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+2Na-H"	44.97116
"637410"	954.12266	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+2Na-H"	44.97116
"1138731"	348.02166	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2Na-H"	44.97116
"177647"	326.039718	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+2Na"	45.978436
"618301"	477.564968	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+2Na"	45.978436
"1118769"	174.514468	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2Na"	45.978436
"1398880"	116.678737333333	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H+2Na"	46.985712
"1434166"	350.063246	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H+HCOOH"	47.012746
"221797"	331.07274	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+3H2O+2H"	56.04448
"1521772"	364.11529	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+IsoProp+H"	61.06479
"423773"	334.026688	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+Na+K"	61.952376
"783194"	485.551938	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+Na+K"	61.952376
"1678793"	182.501438	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Na+K"	61.952376
"259846"	670.116768	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+ACN+Na"	64.015768
"1239115"	367.066268	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+ACN+Na"	64.015768
"1724721"	367.089793	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+NH4+HCOOH"	64.039293
"1183879"	124.006051333333	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+3Na"	68.967654
"1652679"	372.045188	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Na+HCOOH"	68.994688
"163549"	683.02004	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+2K-H"	76.91904
"606390"	986.07054	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+2K-H"	76.91904
"1091268"	379.96954	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2K-H"	76.91904
"149905"	342.013658	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"2M+2K"	77.926316
"587281"	493.538908	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"3M+2K"	77.926316
"1076167"	190.488408	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2K"	77.926316
"1103909"	381.984092	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2K+H"	78.933592
"1345758"	382.071707	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+DMSO+H"	79.021207
"1013197"	386.110876	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2ACN+H"	83.060376
"1525486"	387.104508	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+IsoProp+Na+H"	84.054008
"991571"	193.559076	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+2ACN+2H"	84.067652
"1587531"	388.019128	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+K+HCOOH"	84.968628
"1416834"	418.050638	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+H+CF3COOH"	115.000138
"1150039"	214.072351	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+3ACN+2H"	125.094202
"1698865"	435.077185	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+NH4+CF3COOH"	132.026685
"1634255"	440.03258	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+Na+CF3COOH"	136.98208
"1581107"	456.00652	"C05908"	"Delphinidin;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium chloride;Chlorure de 357-trihydroxy-2-(345-trihydroxyphenyl)benzopyrylium;357-Trihydroxy-2-(345-trihydroxyphenyl)benzopyryliumchlorid;334557-Hexahydroxy-2-phenylbenzopyrylium chloride;334557-Hexahydroxyflavylium chloride;Delfinidol chloride;Delphinidin chloride;Delphinidine;Delphinidol;Ephdine;IdB 1056"	"C15H11O7"	"303.0505"	"M+K+CF3COOH"	152.95602
"804910"	322.0689	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M"	0
"986828"	303.05051	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-H2O-H"	-19.01839
"71060"	213.705324	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M-3H"	-3.021828
"516094"	321.061624	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M-3H"	-3.021828
"884053"	106.349024	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-3H"	-3.021828
"3724"	321.061624	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M-2H"	-2.014552
"448752"	482.096074	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M-2H"	-2.014552
"821088"	160.027174	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-2H"	-2.014552
"82173"	643.130524	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M-H"	-1.007276
"528292"	965.199424	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M-H"	-1.007276
"907189"	321.061624	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-H"	-1.007276
"58648"	660.157071	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M-2H+NH4"	16.019271
"499546"	982.225971	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M-2H+NH4"	16.019271
"876373"	338.088171	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-2H+NH4"	16.019271
"44641"	665.112466	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M-2H+Na"	20.974666
"484561"	987.181366	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M-2H+Na"	20.974666
"856529"	343.043566	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-2H+Na"	20.974666
"1620594"	343.043566	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Na-2H"	20.974666
"100405"	339.049963	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M-H+Cl"	33.962126
"544341"	500.084413	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M-H+Cl"	33.962126
"933481"	178.015513	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-H+Cl"	33.962126
"268756"	679.107202	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+Cl"	34.969402
"671028"	1001.176102	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+Cl"	34.969402
"1283797"	357.038302	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Cl"	34.969402
"28180"	681.086406	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M-2H+K"	36.948606
"468827"	1003.155306	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M-2H+K"	36.948606
"847362"	359.017506	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-2H+K"	36.948606
"1570481"	359.017506	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+K-2H"	36.948606
"956540"	367.067094	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-H+HCOOH"	44.998194
"370747"	689.136001	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+HCOOH-H"	44.998201
"351350"	703.151651	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+Hac-H"	59.013851
"1497630"	381.082751	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Hac-H"	59.013851
"961159"	389.049051	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-H+NaCOOH"	66.980151
"111524"	357.038302	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+2Cl"	69.938804
"554000"	518.072752	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+2Cl"	69.938804
"1024987"	196.003852	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2Cl"	69.938804
"1243477"	400.987785	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Br"	78.918885
"1308111"	403.043772	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Cl+HCOOH"	80.974872
"1323425"	425.025729	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Cl+NaCOOH"	102.956829
"913385"	435.054486	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M-H+CF3COOH"	112.985586
"1296659"	471.031164	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Cl+CF3COOH"	148.962264
"1371539"	287.056224	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H-2H2O"	-35.012676
"1389037"	305.0662	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H-H2O"	-17.0027
"296019"	645.145076	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+H"	1.007276
"686617"	967.213976	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+H"	1.007276
"1363702"	323.076176	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H"	1.007276
"136955"	323.076176	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+2H"	2.014552
"576151"	484.110626	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+2H"	2.014552
"1045311"	162.041726	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2H"	2.014552
"216857"	215.719876	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+3H"	3.021828
"646576"	323.076176	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+3H"	3.021828
"1175280"	108.363576	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+3H"	3.021828
"434177"	662.171623	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+NH4"	18.033823
"789706"	984.240523	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+NH4"	18.033823
"1689317"	340.102723	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+NH4"	18.033823
"343675"	331.5894495	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+H+NH4"	19.041099
"731113"	492.6238995	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+H+NH4"	19.041099
"1480559"	170.5549995	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H+NH4"	19.041099
"397050"	667.127018	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+Na"	22.989218
"759139"	989.195918	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+Na"	22.989218
"1604318"	345.058118	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Na"	22.989218
"315328"	334.067147	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+H+Na"	23.996494
"708113"	495.101597	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+H+Na"	23.996494
"1462791"	173.032697	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H+Na"	23.996494
"1054450"	115.69089	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2H+Na"	25.00377
"1262092"	355.102386	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+CH3OH+H"	33.033486
"385771"	683.100958	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+K"	38.963158
"745674"	1005.169858	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+K"	38.963158
"1549914"	361.032058	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+K"	38.963158
"312200"	342.054117	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+H+K"	39.970434
"704986"	503.088567	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+H+K"	39.970434
"1459171"	181.019667	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H+K"	39.970434
"249228"	686.171626	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+ACN+H"	42.033826
"1220113"	364.102726	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+ACN+H"	42.033826
"1201810"	182.555001	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+ACN+2H"	43.041102
"199053"	689.10896	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+2Na-H"	44.97116
"635333"	1011.17786	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+2Na-H"	44.97116
"1137748"	367.04006	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2Na-H"	44.97116
"177757"	345.058118	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+2Na"	45.978436
"618411"	506.092568	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+2Na"	45.978436
"1117786"	184.023668	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2Na"	45.978436
"1398543"	123.018204	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H+2Na"	46.985712
"1429994"	369.081646	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H+HCOOH"	47.012746
"225066"	350.09114	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+3H2O+2H"	56.04448
"1521518"	383.13369	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+IsoProp+H"	61.06479
"423968"	353.045088	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+Na+K"	61.952376
"783426"	514.079538	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+Na+K"	61.952376
"1679995"	192.010638	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Na+K"	61.952376
"262144"	708.153568	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+ACN+Na"	64.015768
"1239226"	386.084668	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+ACN+Na"	64.015768
"1725927"	386.108193	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+NH4+HCOOH"	64.039293
"1192373"	130.345518	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+3Na"	68.967654
"1662264"	391.063588	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Na+HCOOH"	68.994688
"169125"	721.05684	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+2K-H"	76.91904
"610872"	1043.12574	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+2K-H"	76.91904
"1098423"	398.98794	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2K-H"	76.91904
"154391"	361.032058	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"2M+2K"	77.926316
"591762"	522.066508	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"3M+2K"	77.926316
"1075181"	199.997608	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2K"	77.926316
"1108390"	401.002492	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2K+H"	78.933592
"1340404"	401.090107	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+DMSO+H"	79.021207
"1013307"	405.129276	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2ACN+H"	83.060376
"1525964"	406.122908	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+IsoProp+Na+H"	84.054008
"992409"	203.068276	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+2ACN+2H"	84.067652
"1588007"	407.037528	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+K+HCOOH"	84.968628
"1415486"	437.069038	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+H+CF3COOH"	115.000138
"1148692"	223.581551	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+3ACN+2H"	125.094202
"1697272"	454.095585	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+NH4+CF3COOH"	132.026685
"1634335"	459.05098	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+Na+CF3COOH"	136.98208
"1581217"	475.02492	"C05909"	"Leucodelphinidin"	"C15H14O8"	"322.0689"	"M+K+CF3COOH"	152.95602
"803926"	304.0583	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M"	0
"988395"	285.03991	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-H2O-H"	-19.01839
"75546"	201.698257333333	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M-3H"	-3.021828
"514016"	303.051024	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M-3H"	-3.021828
"883071"	100.345490666667	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-3H"	-3.021828
"4927"	303.051024	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M-2H"	-2.014552
"446674"	455.080174	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M-2H"	-2.014552
"821198"	151.021874	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-2H"	-2.014552
"84470"	607.109324	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M-H"	-1.007276
"527309"	911.167624	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M-H"	-1.007276
"907662"	303.051024	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-H"	-1.007276
"55109"	624.135871	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M-2H+NH4"	16.019271
"499773"	928.194171	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M-2H+NH4"	16.019271
"873564"	320.077571	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-2H+NH4"	16.019271
"39278"	629.091266	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M-2H+Na"	20.974666
"479931"	933.149566	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M-2H+Na"	20.974666
"855545"	325.032966	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-2H+Na"	20.974666
"1619610"	325.032966	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Na-2H"	20.974666
"100514"	321.039363	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M-H+Cl"	33.962126
"541170"	473.068513	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M-H+Cl"	33.962126
"929217"	169.010213	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-H+Cl"	33.962126
"268255"	643.086002	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+Cl"	34.969402
"671138"	947.144302	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+Cl"	34.969402
"1284271"	339.027702	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Cl"	34.969402
"30234"	645.065206	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M-2H+K"	36.948606
"469669"	949.123506	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M-2H+K"	36.948606
"847716"	341.006906	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-2H+K"	36.948606
"1570837"	341.006906	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+K-2H"	36.948606
"957502"	349.056494	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-H+HCOOH"	44.998194
"372680"	653.114801	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+HCOOH-H"	44.998201
"358627"	667.130451	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+Hac-H"	59.013851
"1498833"	363.072151	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Hac-H"	59.013851
"962363"	371.038451	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-H+NaCOOH"	66.980151
"113457"	339.027702	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+2Cl"	69.938804
"555204"	491.056852	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+2Cl"	69.938804
"1027285"	186.998552	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2Cl"	69.938804
"1244680"	382.977185	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Br"	78.918885
"1307127"	385.033172	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Cl+HCOOH"	80.974872
"1325720"	407.015129	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Cl+NaCOOH"	102.956829
"916775"	417.043886	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M-H+CF3COOH"	112.985586
"1298954"	453.020564	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Cl+CF3COOH"	148.962264
"1374927"	269.045624	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H-2H2O"	-35.012676
"1391334"	287.0556	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H-H2O"	-17.0027
"294307"	609.123876	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+H"	1.007276
"687457"	913.182176	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+H"	1.007276
"1360892"	305.065576	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H"	1.007276
"134872"	305.065576	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+2H"	2.014552
"573339"	457.094726	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+2H"	2.014552
"1045057"	153.036426	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2H"	2.014552
"214413"	203.712809333333	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+3H"	3.021828
"648508"	305.065576	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+3H"	3.021828
"1173206"	102.360042666667	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+3H"	3.021828
"434289"	626.150423	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+NH4"	18.033823
"793097"	930.208723	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+NH4"	18.033823
"1689427"	322.092123	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+NH4"	18.033823
"344269"	313.5788495	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+H+NH4"	19.041099
"731223"	465.6079995	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+H+NH4"	19.041099
"1481762"	161.5496995	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H+NH4"	19.041099
"397162"	631.105818	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+Na"	22.989218
"759615"	935.164118	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+Na"	22.989218
"1609535"	327.047518	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Na"	22.989218
"316291"	316.056547	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+H+Na"	23.996494
"709805"	468.085697	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+H+Na"	23.996494
"1463629"	164.027397	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H+Na"	23.996494
"1055776"	109.687356666667	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2H+Na"	25.00377
"1262931"	337.091786	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+CH3OH+H"	33.033486
"382601"	647.079758	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+K"	38.963158
"744690"	951.138058	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+K"	38.963158
"1547837"	343.021458	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+K"	38.963158
"311581"	324.043517	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+H+K"	39.970434
"704004"	476.072667	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+H+K"	39.970434
"1457823"	172.014367	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H+K"	39.970434
"248974"	650.150426	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+ACN+H"	42.033826
"1221317"	346.092126	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+ACN+H"	42.033826
"1203013"	173.549701	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+ACN+2H"	43.041102
"199163"	653.08776	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+2Na-H"	44.97116
"631069"	957.14606	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+2Na-H"	44.97116
"1138951"	349.02946	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2Na-H"	44.97116
"177867"	327.047518	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+2Na"	45.978436
"618521"	479.076668	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+2Na"	45.978436
"1123122"	175.018368	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2Na"	45.978436
"1405549"	117.014670666667	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H+2Na"	46.985712
"1429951"	351.071046	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H+HCOOH"	47.012746
"225177"	332.08054	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+3H2O+2H"	56.04448
"1521992"	365.12309	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+IsoProp+H"	61.06479
"422779"	335.034488	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+Na+K"	61.952376
"783051"	487.063638	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+Na+K"	61.952376
"1677919"	183.005338	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Na+K"	61.952376
"261160"	672.132368	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+ACN+Na"	64.015768
"1239943"	368.074068	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+ACN+Na"	64.015768
"1725671"	368.097593	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+NH4+HCOOH"	64.039293
"1187380"	124.341984666667	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+3Na"	68.967654
"1663468"	373.052988	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Na+HCOOH"	68.994688
"168142"	685.03564	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+2K-H"	76.91904
"610255"	989.09394	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+2K-H"	76.91904
"1095494"	380.97734	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2K-H"	76.91904
"153407"	343.021458	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"2M+2K"	77.926316
"589684"	495.050608	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"3M+2K"	77.926316
"1076384"	190.992308	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2K"	77.926316
"1108500"	382.991892	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2K+H"	78.933592
"1343793"	383.079507	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+DMSO+H"	79.021207
"1010135"	387.118676	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2ACN+H"	83.060376
"1527168"	388.112308	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+IsoProp+Na+H"	84.054008
"990453"	194.062976	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+2ACN+2H"	84.067652
"1587873"	389.026928	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+K+HCOOH"	84.968628
"1415963"	419.058438	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+H+CF3COOH"	115.000138
"1147466"	214.576251	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+3ACN+2H"	125.094202
"1697988"	436.084985	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+NH4+CF3COOH"	132.026685
"1634206"	441.04038	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+Na+CF3COOH"	136.98208
"1581327"	457.01432	"C05911"	"Pentahydroxyflavanone;Dihydrotricetin"	"C15H12O7"	"304.0583"	"M+K+CF3COOH"	152.95602
"810598"	586.2791	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M"	0
"986319"	567.26071	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-H2O-H"	-19.01839
"77842"	389.845457333333	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M-3H"	-3.021828
"517405"	585.271824	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M-3H"	-3.021828
"883182"	194.419090666667	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-3H"	-3.021828
"9411"	585.271824	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M-2H"	-2.014552
"447876"	878.411374	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M-2H"	-2.014552
"824588"	292.132274	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-2H"	-2.014552
"87859"	1171.550924	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M-H"	-1.007276
"529607"	1757.830024	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M-H"	-1.007276
"909228"	585.271824	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-H"	-1.007276
"58499"	1188.577471	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M-2H+NH4"	16.019271
"499154"	1774.856571	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M-2H+NH4"	16.019271
"872581"	602.298371	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-2H+NH4"	16.019271
"39388"	1193.532866	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M-2H+Na"	20.974666
"481134"	1779.811966	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M-2H+Na"	20.974666
"857841"	607.253766	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-2H+Na"	20.974666
"1621906"	607.253766	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Na-2H"	20.974666
"103904"	603.260163	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M-H+Cl"	33.962126
"542373"	896.399713	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M-H+Cl"	33.962126
"930419"	310.120613	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-H+Cl"	33.962126
"273710"	1207.527602	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+Cl"	34.969402
"673435"	1793.806702	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+Cl"	34.969402
"1285478"	621.248502	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Cl"	34.969402
"29858"	1209.506806	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M-2H+K"	36.948606
"469777"	1795.785906	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M-2H+K"	36.948606
"848311"	623.227706	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-2H+K"	36.948606
"1570949"	623.227706	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+K-2H"	36.948606
"957125"	631.277294	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-H+HCOOH"	44.998194
"372061"	1217.556401	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+HCOOH-H"	44.998201
"354848"	1231.572051	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+Hac-H"	59.013851
"1500401"	645.292951	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Hac-H"	59.013851
"962473"	653.259251	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-H+NaCOOH"	66.980151
"113931"	621.248502	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+2Cl"	69.938804
"553491"	914.388052	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+2Cl"	69.938804
"1023868"	328.108952	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2Cl"	69.938804
"1245883"	665.197985	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Br"	78.918885
"1305533"	667.253972	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Cl+HCOOH"	80.974872
"1329109"	689.235929	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Cl+NaCOOH"	102.956829
"915792"	699.264686	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M-H+CF3COOH"	112.985586
"1293595"	735.241364	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Cl+CF3COOH"	148.962264
"1375037"	551.266424	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H-2H2O"	-35.012676
"1391444"	569.2764	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H-H2O"	-17.0027
"293688"	1173.565476	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+H"	1.007276
"685016"	1759.844576	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+H"	1.007276
"1363918"	587.286376	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H"	1.007276
"134982"	587.286376	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+2H"	2.014552
"573449"	880.425926	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+2H"	2.014552
"1046625"	294.146826	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2H"	2.014552
"214523"	391.860009333333	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+3H"	3.021828
"650804"	587.286376	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+3H"	3.021828
"1172219"	196.433642666667	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+3H"	3.021828
"431117"	1190.592023	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+NH4"	18.033823
"786647"	1776.871123	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+NH4"	18.033823
"1686256"	604.312923	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+NH4"	18.033823
"335627"	595.7996495	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+H+NH4"	19.041099
"724036"	888.9391995	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+H+NH4"	19.041099
"1484058"	302.6600995	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H+NH4"	19.041099
"397268"	1195.547418	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+Na"	22.989218
"759361"	1781.826518	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+Na"	22.989218
"1609645"	609.268318	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Na"	22.989218
"318587"	598.277347	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+H+Na"	23.996494
"709915"	891.416897	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+H+Na"	23.996494
"1463132"	305.137797	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H+Na"	23.996494
"1055157"	203.760956666667	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2H+Na"	25.00377
"1260854"	619.312586	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+CH3OH+H"	33.033486
"382711"	1211.521358	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+K"	38.963158
"741520"	1797.800458	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+K"	38.963158
"1547947"	625.242258	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+K"	38.963158
"311694"	606.264317	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+H+K"	39.970434
"705939"	899.403867	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+H+K"	39.970434
"1459755"	313.124767	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H+K"	39.970434
"249813"	1214.592026	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+ACN+H"	42.033826
"1222520"	628.312926	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+ACN+H"	42.033826
"1203124"	314.660101	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+ACN+2H"	43.041102
"200367"	1217.52936	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+2Na-H"	44.97116
"637740"	1803.80846	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+2Na-H"	44.97116
"1141248"	631.25026	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2Na-H"	44.97116
"174698"	609.268318	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+2Na"	45.978436
"615351"	902.407868	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+2Na"	45.978436
"1123232"	316.128768	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2Na"	45.978436
"1398974"	211.088270666667	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H+2Na"	46.985712
"1430118"	633.291846	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H+HCOOH"	47.012746
"225287"	614.30134	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+3H2O+2H"	56.04448
"1520646"	647.34389	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+IsoProp+H"	61.06479
"423011"	617.255288	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+Na+K"	61.952376
"784253"	910.394838	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+Na+K"	61.952376
"1679122"	324.115738	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Na+K"	61.952376
"264918"	1236.573968	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+ACN+Na"	64.015768
"1239445"	650.294868	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+ACN+Na"	64.015768
"1726513"	650.318393	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+NH4+HCOOH"	64.039293
"1191499"	218.415584666667	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+3Na"	68.967654
"1656290"	655.273788	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Na+HCOOH"	68.994688
"167157"	1249.47724	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+2K-H"	76.91904
"607811"	1835.75634	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+2K-H"	76.91904
"1095604"	663.19814	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2K-H"	76.91904
"155340"	625.242258	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"2M+2K"	77.926316
"593075"	918.381808	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"3M+2K"	77.926316
"1076494"	332.102708	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2K"	77.926316
"1105329"	665.212692	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2K+H"	78.933592
"1344996"	665.300307	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+DMSO+H"	79.021207
"1008059"	669.339476	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2ACN+H"	83.060376
"1524193"	670.333108	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+IsoProp+Na+H"	84.054008
"991541"	335.173376	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+2ACN+2H"	84.067652
"1589325"	671.247728	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+K+HCOOH"	84.968628
"1415102"	701.279238	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+H+CF3COOH"	115.000138
"1147457"	355.686651	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+3ACN+2H"	125.094202
"1697095"	718.305785	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+NH4+CF3COOH"	132.026685
"1634482"	723.26118	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+Na+CF3COOH"	136.98208
"1581437"	739.23512	"C05912"	"(3Z)-Phycoerythrobilin"	"C33H38N4O6"	"586.2791"	"M+K+CF3COOH"	152.95602
"803053"	584.2635	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M"	0
"985336"	565.24511	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-H2O-H"	-19.01839
"70297"	388.501724	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M-3H"	-3.021828
"517515"	583.256224	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M-3H"	-3.021828
"885478"	193.747224	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-3H"	-3.021828
"7334"	583.256224	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M-2H"	-2.014552
"453454"	875.387974	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M-2H"	-2.014552
"825791"	291.124474	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-2H"	-2.014552
"84690"	1167.519724	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M-H"	-1.007276
"530809"	1751.783224	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M-H"	-1.007276
"908610"	583.256224	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-H"	-1.007276
"60797"	1184.546271	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M-2H+NH4"	16.019271
"501088"	1768.809771	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M-2H+NH4"	16.019271
"877065"	600.282771	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-2H+NH4"	16.019271
"35125"	1189.501666	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M-2H+Na"	20.974666
"479057"	1773.765166	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M-2H+Na"	20.974666
"853579"	605.238166	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-2H+Na"	20.974666
"1627485"	605.238166	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Na-2H"	20.974666
"101826"	601.244563	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M-H+Cl"	33.962126
"539203"	893.376313	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M-H+Cl"	33.962126
"933812"	309.112813	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-H+Cl"	33.962126
"273462"	1203.496402	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+Cl"	34.969402
"672456"	1787.759902	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+Cl"	34.969402
"1285589"	619.232902	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Cl"	34.969402
"30657"	1205.475606	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M-2H+K"	36.948606
"470616"	1789.739106	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M-2H+K"	36.948606
"847813"	621.212106	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-2H+K"	36.948606
"1571202"	621.212106	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+K-2H"	36.948606
"957884"	629.261694	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-H+HCOOH"	44.998194
"376673"	1213.525201	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+HCOOH-H"	44.998201
"354960"	1227.540851	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+Hac-H"	59.013851
"1500875"	643.277351	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Hac-H"	59.013851
"968055"	651.243651	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-H+NaCOOH"	66.980151
"115866"	619.232902	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+2Cl"	69.938804
"555428"	911.364652	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+2Cl"	69.938804
"1025685"	327.101152	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2Cl"	69.938804
"1253651"	663.182385	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Br"	78.918885
"1315005"	665.238372	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Cl+HCOOH"	80.974872
"1328130"	687.220329	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Cl+NaCOOH"	102.956829
"918092"	697.249086	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M-H+CF3COOH"	112.985586
"1294798"	733.225764	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Cl+CF3COOH"	148.962264
"1376975"	549.250824	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H-2H2O"	-35.012676
"1387547"	567.2608	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H-H2O"	-17.0027
"293069"	1169.534276	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+H"	1.007276
"688409"	1753.797776	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+H"	1.007276
"1361113"	585.270776	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H"	1.007276
"134002"	585.270776	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+2H"	2.014552
"572469"	877.402526	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+2H"	2.014552
"1050015"	293.139026	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2H"	2.014552
"206615"	390.516276	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+3H"	3.021828
"648730"	585.270776	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+3H"	3.021828
"1172332"	195.761776	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+3H"	3.021828
"430135"	1186.560823	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+NH4"	18.033823
"795505"	1770.824323	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+NH4"	18.033823
"1690742"	602.297323	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+NH4"	18.033823
"333553"	593.7840495	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+H+NH4"	19.041099
"729254"	885.9157995	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+H+NH4"	19.041099
"1487450"	301.6522995	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H+NH4"	19.041099
"396288"	1191.516218	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+Na"	22.989218
"759468"	1775.779718	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+Na"	22.989218
"1611941"	607.252718	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Na"	22.989218
"319791"	596.261747	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+H+Na"	23.996494
"710025"	888.393497	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+H+Na"	23.996494
"1466036"	304.129997	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H+Na"	23.996494
"1053687"	203.08909	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2H+Na"	25.00377
"1263150"	617.296986	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+CH3OH+H"	33.033486
"382821"	1207.490158	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+K"	38.963158
"742723"	1791.753658	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+K"	38.963158
"1548057"	623.226658	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+K"	38.963158
"312894"	604.248717	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+H+K"	39.970434
"705685"	896.380467	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+H+K"	39.970434
"1459863"	312.116967	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H+K"	39.970434
"249559"	1210.560826	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+ACN+H"	42.033826
"1221536"	626.297326	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+ACN+H"	42.033826
"1199953"	313.652301	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+ACN+2H"	43.041102
"192821"	1213.49816	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+2Na-H"	44.97116
"632383"	1797.76166	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+2Na-H"	44.97116
"1139171"	629.23466	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2Na-H"	44.97116
"175900"	607.252718	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+2Na"	45.978436
"615825"	899.384468	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+2Na"	45.978436
"1119331"	315.120968	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2Na"	45.978436
"1399202"	210.416404	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H+2Na"	46.985712
"1430713"	631.276246	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H+HCOOH"	47.012746
"221263"	612.28574	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+3H2O+2H"	56.04448
"1521484"	645.32829	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+IsoProp+H"	61.06479
"415337"	615.239688	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+Na+K"	61.952376
"785090"	907.371438	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+Na+K"	61.952376
"1679719"	323.107938	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Na+K"	61.952376
"264906"	1232.542768	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+ACN+Na"	64.015768
"1239555"	648.279268	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+ACN+Na"	64.015768
"1725164"	648.302793	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+NH4+HCOOH"	64.039293
"1190517"	217.743718	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+3Na"	68.967654
"1659316"	653.258188	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Na+HCOOH"	68.994688
"167267"	1245.44604	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+2K-H"	76.91904
"610108"	1829.70954	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+2K-H"	76.91904
"1095714"	661.18254	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2K-H"	76.91904
"153993"	623.226658	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"2M+2K"	77.926316
"589905"	915.358408	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"3M+2K"	77.926316
"1079884"	331.094908	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2K"	77.926316
"1108720"	663.197092	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2K+H"	78.933592
"1345105"	663.284707	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+DMSO+H"	79.021207
"1010353"	667.323876	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2ACN+H"	83.060376
"1527389"	668.317508	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+IsoProp+Na+H"	84.054008
"993836"	334.165576	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+2ACN+2H"	84.067652
"1588698"	669.232128	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+K+HCOOH"	84.968628
"1415818"	699.263638	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+H+CF3COOH"	115.000138
"1148659"	354.678851	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+3ACN+2H"	125.094202
"1699303"	716.290185	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+NH4+CF3COOH"	132.026685
"1634344"	721.24558	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+Na+CF3COOH"	136.98208
"1581547"	737.21952	"C05913"	"(3Z)-Phytochromobilin"	"C33H36N4O6"	"584.2635"	"M+K+CF3COOH"	152.95602
"805354"	282.1984	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M"	0
"978887"	263.18001	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-H2O-H"	-19.01839
"78064"	187.124990666667	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M-3H"	-3.021828
"515438"	281.191124	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M-3H"	-3.021828
"891053"	93.0588573333333	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-3H"	-3.021828
"11816"	281.191124	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M-2H"	-2.014552
"450289"	422.290324	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M-2H"	-2.014552
"829911"	140.091924	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-2H"	-2.014552
"88078"	563.389524	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M-H"	-1.007276
"528733"	845.587924	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M-H"	-1.007276
"906535"	281.191124	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-H"	-1.007276
"58722"	580.416071	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M-2H+NH4"	16.019271
"489898"	862.614471	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M-2H+NH4"	16.019271
"868431"	298.217671	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-2H+NH4"	16.019271
"45079"	585.371466	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M-2H+Na"	20.974666
"479173"	867.569866	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M-2H+Na"	20.974666
"856977"	303.173066	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-2H+Na"	20.974666
"1629793"	303.173066	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Na-2H"	20.974666
"109654"	299.179463	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M-H+Cl"	33.962126
"549495"	440.278663	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M-H+Cl"	33.962126
"940858"	158.080263	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-H+Cl"	33.962126
"281968"	599.366202	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+Cl"	34.969402
"673296"	881.564602	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+Cl"	34.969402
"1284969"	317.167802	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Cl"	34.969402
"28618"	601.345406	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M-2H+K"	36.948606
"469272"	883.543806	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M-2H+K"	36.948606
"847076"	319.147006	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-2H+K"	36.948606
"1567283"	319.147006	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+K-2H"	36.948606
"955167"	327.196594	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-H+HCOOH"	44.998194
"374475"	609.395001	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+HCOOH-H"	44.998201
"353985"	623.410651	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+Hac-H"	59.013851
"1505002"	341.212251	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Hac-H"	59.013851
"968171"	349.178551	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-H+NaCOOH"	66.980151
"121090"	317.167802	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+2Cl"	69.938804
"563207"	458.267002	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+2Cl"	69.938804
"1029816"	176.068602	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2Cl"	69.938804
"1246476"	361.117285	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Br"	78.918885
"1310748"	363.173272	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Cl+HCOOH"	80.974872
"1327153"	385.155229	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Cl+NaCOOH"	102.956829
"924416"	395.183986	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M-H+CF3COOH"	112.985586
"1303309"	431.160664	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Cl+CF3COOH"	148.962264
"1382567"	247.185724	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H-2H2O"	-35.012676
"1397146"	265.1957	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H-H2O"	-17.0027
"298374"	565.404076	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+H"	1.007276
"689980"	847.602476	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+H"	1.007276
"1363419"	283.205676	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H"	1.007276
"137403"	283.205676	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+2H"	2.014552
"578053"	424.304876	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+2H"	2.014552
"1047947"	142.106476	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2H"	2.014552
"216943"	189.139542666667	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+3H"	3.021828
"655411"	283.205676	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+3H"	3.021828
"1174629"	95.0734093333333	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+3H"	3.021828
"426964"	582.430623	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+NH4"	18.033823
"793427"	864.629023	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+NH4"	18.033823
"1689758"	300.232223	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+NH4"	18.033823
"335849"	291.7189495	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+H+NH4"	19.041099
"727177"	432.8181495	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+H+NH4"	19.041099
"1484280"	150.6197495	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H+NH4"	19.041099
"397859"	587.386018	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+Na"	22.989218
"769071"	869.584418	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+Na"	22.989218
"1617412"	305.187618	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Na"	22.989218
"327571"	294.196647	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+H+Na"	23.996494
"719991"	435.295847	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+H+Na"	23.996494
"1472720"	153.097447	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H+Na"	23.996494
"1062685"	102.400723333333	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2H+Na"	25.00377
"1268736"	315.231886	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+CH3OH+H"	33.033486
"388407"	603.359958	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+K"	38.963158
"748310"	885.558358	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+K"	38.963158
"1548175"	321.161558	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+K"	38.963158
"310814"	302.183617	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+H+K"	39.970434
"698864"	443.282817	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+H+K"	39.970434
"1457056"	161.084417	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H+K"	39.970434
"238009"	606.430626	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+ACN+H"	42.033826
"1211808"	324.232226	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+ACN+H"	42.033826
"1197879"	162.619751	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+ACN+2H"	43.041102
"190870"	609.36796	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+2Na-H"	44.97116
"631401"	891.56636	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+2Na-H"	44.97116
"1134907"	327.16956	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2Na-H"	44.97116
"173170"	305.187618	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+2Na"	45.978436
"614476"	446.286818	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+2Na"	45.978436
"1116763"	164.088418	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2Na"	45.978436
"1401508"	109.728037333333	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H+2Na"	46.985712
"1445066"	329.211146	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H+HCOOH"	47.012746
"235454"	310.22064	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+3H2O+2H"	56.04448
"1521967"	343.26319	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+IsoProp+H"	61.06479
"423724"	313.174588	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+Na+K"	61.952376
"785200"	454.273788	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+Na+K"	61.952376
"1680687"	172.075388	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Na+K"	61.952376
"264772"	628.412568	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+ACN+Na"	64.015768
"1239667"	346.214168	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+ACN+Na"	64.015768
"1725269"	346.237693	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+NH4+HCOOH"	64.039293
"1191717"	117.055351333333	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+3Na"	68.967654
"1662703"	351.193088	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Na+HCOOH"	68.994688
"170658"	641.31584	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+2K-H"	76.91904
"610219"	923.51424	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+2K-H"	76.91904
"1088172"	359.11744	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2K-H"	76.91904
"149361"	321.161558	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"2M+2K"	77.926316
"591112"	462.260758	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"3M+2K"	77.926316
"1074530"	180.062358	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2K"	77.926316
"1106646"	361.131992	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2K+H"	78.933592
"1341936"	361.219607	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+DMSO+H"	79.021207
"1006817"	365.258776	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2ACN+H"	83.060376
"1526762"	366.252408	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+IsoProp+Na+H"	84.054008
"990663"	183.133026	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+2ACN+2H"	84.067652
"1601824"	367.167028	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+K+HCOOH"	84.968628
"1422862"	397.198538	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+H+CF3COOH"	115.000138
"1161781"	203.646301	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+3ACN+2H"	125.094202
"1710360"	414.225085	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+NH4+CF3COOH"	132.026685
"1643825"	419.18048	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+Na+CF3COOH"	136.98208
"1581661"	435.15442	"C05918"	"all-trans-Dehydroretinal;Dehydroretinaldehyde;Dehydroretinaldehyd;(all-E)-37-Dimethyl-9-(266-trimethyl-13-cyclohexadien-1-yl)-2468-nonatetraenal;alpha-Retinene;34-Didehydroretinal;3-Dehydroretinal;all-trans-3-Dehydroretinal;3-Dehydroretinaldehyde;all-trans-34-Dehydroretinal;Dehydroretinal;Retinene 2;trans-3-Dehydroretinal;Vitamin A2 aldehyde"	"C20H26O"	"282.1984"	"M+K+CF3COOH"	152.95602
"805464"	282.1984	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M"	0
"975714"	263.18001	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-H2O-H"	-19.01839
"69426"	187.124990666667	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M-3H"	-3.021828
"517980"	281.191124	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M-3H"	-3.021828
"894443"	93.0588573333333	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-3H"	-3.021828
"15331"	281.191124	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M-2H"	-2.014552
"452219"	422.290324	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M-2H"	-2.014552
"830384"	140.091924	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-2H"	-2.014552
"92201"	563.389524	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M-H"	-1.007276
"531757"	845.587924	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M-H"	-1.007276
"906643"	281.191124	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-H"	-1.007276
"58831"	580.416071	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M-2H+NH4"	16.019271
"495110"	862.614471	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M-2H+NH4"	16.019271
"868541"	298.217671	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-2H+NH4"	16.019271
"37534"	585.371466	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M-2H+Na"	20.974666
"480376"	867.569866	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M-2H+Na"	20.974666
"862190"	303.173066	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-2H+Na"	20.974666
"1630635"	303.173066	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Na-2H"	20.974666
"109438"	299.179463	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M-H+Cl"	33.962126
"549443"	440.278663	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M-H+Cl"	33.962126
"940968"	158.080263	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-H+Cl"	33.962126
"281350"	599.366202	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+Cl"	34.969402
"673770"	881.564602	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+Cl"	34.969402
"1285444"	317.167802	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Cl"	34.969402
"27633"	601.345406	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M-2H+K"	36.948606
"471251"	883.543806	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M-2H+K"	36.948606
"848368"	319.147006	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-2H+K"	36.948606
"1567758"	319.147006	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+K-2H"	36.948606
"957466"	327.196594	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-H+HCOOH"	44.998194
"372397"	609.395001	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+HCOOH-H"	44.998201
"357011"	623.410651	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+Hac-H"	59.013851
"1504748"	341.212251	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Hac-H"	59.013851
"970105"	349.178551	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-H+NaCOOH"	66.980151
"123753"	317.167802	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+2Cl"	69.938804
"561129"	458.267002	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+2Cl"	69.938804
"1028833"	176.068602	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2Cl"	69.938804
"1247315"	361.117285	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Br"	78.918885
"1311952"	363.173272	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Cl+HCOOH"	80.974872
"1332365"	385.155229	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Cl+NaCOOH"	102.956829
"925984"	395.183986	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M-H+CF3COOH"	112.985586
"1300139"	431.160664	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Cl+CF3COOH"	148.962264
"1379757"	247.185724	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H-2H2O"	-35.012676
"1395069"	265.1957	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H-H2O"	-17.0027
"294757"	565.404076	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+H"	1.007276
"686081"	847.602476	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+H"	1.007276
"1356968"	283.205676	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H"	1.007276
"137876"	283.205676	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+2H"	2.014552
"573789"	424.304876	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+2H"	2.014552
"1046964"	142.106476	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2H"	2.014552
"218147"	189.139542666667	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+3H"	3.021828
"655521"	283.205676	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+3H"	3.021828
"1170364"	95.0734093333333	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+3H"	3.021828
"431449"	582.430623	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+NH4"	18.033823
"793537"	864.629023	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+NH4"	18.033823
"1689868"	300.232223	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+NH4"	18.033823
"335959"	291.7189495	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+H+NH4"	19.041099
"729474"	432.8181495	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+H+NH4"	19.041099
"1484390"	150.6197495	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H+NH4"	19.041099
"400885"	587.386018	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+Na"	22.989218
"759695"	869.584418	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+Na"	22.989218
"1616548"	305.187618	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Na"	22.989218
"329867"	294.196647	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+H+Na"	23.996494
"719011"	435.295847	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+H+Na"	23.996494
"1470645"	153.097447	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H+Na"	23.996494
"1063888"	102.400723333333	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2H+Na"	25.00377
"1267753"	315.231886	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+CH3OH+H"	33.033486
"387424"	603.359958	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+K"	38.963158
"750607"	885.558358	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+K"	38.963158
"1550473"	321.161558	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+K"	38.963158
"308742"	302.183617	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+H+K"	39.970434
"700068"	443.282817	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+H+K"	39.970434
"1457167"	161.084417	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H+K"	39.970434
"240304"	606.430626	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+ACN+H"	42.033826
"1213010"	324.232226	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+ACN+H"	42.033826
"1197260"	162.619751	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+ACN+2H"	43.041102
"191951"	609.36796	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+2Na-H"	44.97116
"633698"	891.56636	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+2Na-H"	44.97116
"1135746"	327.16956	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2Na-H"	44.97116
"177577"	305.187618	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+2Na"	45.978436
"613858"	446.286818	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+2Na"	45.978436
"1118092"	164.088418	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2Na"	45.978436
"1401982"	109.728037333333	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H+2Na"	46.985712
"1441392"	329.211146	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H+HCOOH"	47.012746
"235474"	310.22064	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+3H2O+2H"	56.04448
"1521349"	343.26319	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+IsoProp+H"	61.06479
"424201"	313.174588	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+Na+K"	61.952376
"784580"	454.273788	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+Na+K"	61.952376
"1680997"	172.075388	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Na+K"	61.952376
"265975"	628.412568	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+ACN+Na"	64.015768
"1240505"	346.214168	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+ACN+Na"	64.015768
"1725379"	346.237693	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+NH4+HCOOH"	64.039293
"1191827"	117.055351333333	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+3Na"	68.967654
"1665000"	351.193088	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Na+HCOOH"	68.994688
"167487"	641.31584	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+2K-H"	76.91904
"605957"	923.51424	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+2K-H"	76.91904
"1091562"	359.11744	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2K-H"	76.91904
"146191"	321.161558	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"2M+2K"	77.926316
"586845"	462.260758	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"3M+2K"	77.926316
"1077919"	180.062358	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2K"	77.926316
"1106756"	361.131992	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2K+H"	78.933592
"1342046"	361.219607	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+DMSO+H"	79.021207
"1007049"	365.258776	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2ACN+H"	83.060376
"1526145"	366.252408	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+IsoProp+Na+H"	84.054008
"990651"	183.133026	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+2ACN+2H"	84.067652
"1595127"	367.167028	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+K+HCOOH"	84.968628
"1424066"	397.198538	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+H+CF3COOH"	115.000138
"1161648"	203.646301	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+3ACN+2H"	125.094202
"1709377"	414.225085	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+NH4+CF3COOH"	132.026685
"1646122"	419.18048	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+Na+CF3COOH"	136.98208
"1581771"	435.15442	"C05919"	"11-cis-Dehydroretinal"	"C20H26O"	"282.1984"	"M+K+CF3COOH"	152.95602
"802295"	573.1407	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M"	0
"975096"	554.12231	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-H2O-H"	-19.01839
"66254"	381.086524	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M-3H"	-3.021828
"510190"	572.133424	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M-3H"	-3.021828
"882157"	190.039624	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-3H"	-3.021828
"7660"	572.133424	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M-2H"	-2.014552
"451594"	858.703774	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M-2H"	-2.014552
"830491"	285.563074	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-2H"	-2.014552
"90848"	1145.274124	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M-H"	-1.007276
"525671"	1718.414824	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M-H"	-1.007276
"903473"	572.133424	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-H"	-1.007276
"55660"	1162.300671	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M-2H+NH4"	16.019271
"488662"	1735.441371	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M-2H+NH4"	16.019271
"867558"	589.159971	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-2H+NH4"	16.019271
"36552"	1167.256066	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M-2H+Na"	20.974666
"483044"	1740.396766	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M-2H+Na"	20.974666
"861940"	594.115366	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-2H+Na"	20.974666
"1632203"	594.115366	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Na-2H"	20.974666
"108369"	590.121763	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M-H+Cl"	33.962126
"549152"	876.692113	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M-H+Cl"	33.962126
"938892"	303.551413	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-H+Cl"	33.962126
"281950"	1181.250802	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+Cl"	34.969402
"673153"	1754.391502	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+Cl"	34.969402
"1287381"	608.110102	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Cl"	34.969402
"28112"	1183.230006	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M-2H+K"	36.948606
"467305"	1756.370706	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M-2H+K"	36.948606
"842921"	610.089306	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-2H+K"	36.948606
"1563130"	610.089306	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+K-2H"	36.948606
"952836"	618.138894	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-H+HCOOH"	44.998194
"372509"	1191.279601	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+HCOOH-H"	44.998201
"356393"	1205.295251	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+Hac-H"	59.013851
"1504134"	632.154551	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Hac-H"	59.013851
"971312"	640.120851	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-H+NaCOOH"	66.980151
"122409"	608.110102	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+2Cl"	69.938804
"563794"	894.680452	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+2Cl"	69.938804
"1033685"	321.539752	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2Cl"	69.938804
"1250706"	652.059585	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Br"	78.918885
"1311333"	654.115572	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Cl+HCOOH"	80.974872
"1333575"	676.097529	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Cl+NaCOOH"	102.956829
"924636"	686.126286	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M-H+CF3COOH"	112.985586
"1303409"	722.102964	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Cl+CF3COOH"	148.962264
"1382055"	538.128024	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H-2H2O"	-35.012676
"1396271"	556.138	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H-H2O"	-17.0027
"298144"	1147.288676	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+H"	1.007276
"687289"	1720.429376	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+H"	1.007276
"1359263"	574.147976	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H"	1.007276
"127777"	574.147976	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+2H"	2.014552
"573902"	860.718326	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+2H"	2.014552
"1045980"	287.577626	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2H"	2.014552
"210600"	383.101076	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+3H"	3.021828
"652347"	574.147976	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+3H"	3.021828
"1168287"	192.054176	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+3H"	3.021828
"429372"	1164.315223	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+NH4"	18.033823
"795834"	1737.455923	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+NH4"	18.033823
"1683417"	591.174523	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+NH4"	18.033823
"337163"	582.6612495	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+H+NH4"	19.041099
"727401"	869.2315995	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+H+NH4"	19.041099
"1481222"	296.0908995	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H+NH4"	19.041099
"402092"	1169.270618	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+Na"	22.989218
"768197"	1742.411318	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+Na"	22.989218
"1614469"	596.129918	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Na"	22.989218
"327424"	585.138947	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+H+Na"	23.996494
"719118"	871.709297	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+H+Na"	23.996494
"1475126"	298.568597	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H+Na"	23.996494
"1064727"	199.38149	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2H+Na"	25.00377
"1269685"	606.174186	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+CH3OH+H"	33.033486
"388626"	1185.244558	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+K"	38.963158
"746340"	1758.385258	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+K"	38.963158
"1549486"	612.103858	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+K"	38.963158
"301194"	593.125917	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+H+K"	39.970434
"697990"	879.696267	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+H+K"	39.970434
"1448534"	306.555567	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H+K"	39.970434
"238229"	1188.315226	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+ACN+H"	42.033826
"1210325"	615.174526	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+ACN+H"	42.033826
"1195547"	308.090901	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+ACN+2H"	43.041102
"191332"	1191.25256	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+2Na-H"	44.97116
"631987"	1764.39326	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+2Na-H"	44.97116
"1131555"	618.11186	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2Na-H"	44.97116
"176233"	596.129918	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+2Na"	45.978436
"615062"	882.700268	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+2Na"	45.978436
"1120759"	309.559568	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2Na"	45.978436
"1403921"	206.708804	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H+2Na"	46.985712
"1445284"	620.153446	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H+HCOOH"	47.012746
"231572"	601.16294	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+3H2O+2H"	56.04448
"1523280"	634.20549	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+IsoProp+H"	61.06479
"422970"	604.116888	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+Na+K"	61.952376
"783962"	890.687238	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+Na+K"	61.952376
"1679930"	317.546538	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Na+K"	61.952376
"266085"	1210.297168	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+ACN+Na"	64.015768
"1240249"	637.156468	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+ACN+Na"	64.015768
"1721114"	637.179993	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+NH4+HCOOH"	64.039293
"1191942"	214.036118	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+3Na"	68.967654
"1663654"	642.135388	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Na+HCOOH"	68.994688
"166504"	1223.20044	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+2K-H"	76.91904
"600599"	1796.34114	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+2K-H"	76.91904
"1088756"	650.05974	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2K-H"	76.91904
"152501"	612.103858	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"2M+2K"	77.926316
"591330"	898.674208	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"3M+2K"	77.926316
"1072563"	325.533508	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2K"	77.926316
"1101399"	652.074292	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2K+H"	78.933592
"1335835"	652.161907	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+DMSO+H"	79.021207
"1010689"	656.201076	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2ACN+H"	83.060376
"1525535"	657.194708	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+IsoProp+Na+H"	84.054008
"995269"	328.604176	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+2ACN+2H"	84.067652
"1599977"	658.109328	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+K+HCOOH"	84.968628
"1424180"	688.140838	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+H+CF3COOH"	115.000138
"1161031"	349.117451	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+3ACN+2H"	125.094202
"1706208"	705.167385	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+NH4+CF3COOH"	132.026685
"1646232"	710.12278	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+Na+CF3COOH"	136.98208
"1581882"	726.09672	"C05921"	"Biotinyl-5-AMP"	"C20H28N7O9PS"	"573.1407"	"M+K+CF3COOH"	152.95602
"812246"	541.0012	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M"	0
"978122"	521.98281	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-H2O-H"	-19.01839
"66364"	359.660190666667	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M-3H"	-3.021828
"510300"	539.993924	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M-3H"	-3.021828
"885913"	179.326457333333	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-3H"	-3.021828
"11051"	539.993924	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M-2H"	-2.014552
"448426"	810.494524	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M-2H"	-2.014552
"829509"	269.493324	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-2H"	-2.014552
"92053"	1080.995124	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M-H"	-1.007276
"529061"	1621.996324	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M-H"	-1.007276
"903584"	539.993924	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-H"	-1.007276
"51396"	1098.021671	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M-2H+NH4"	16.019271
"490959"	1639.022871	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M-2H+NH4"	16.019271
"872041"	557.020471	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-2H+NH4"	16.019271
"35569"	1102.977066	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M-2H+Na"	20.974666
"484976"	1643.978266	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M-2H+Na"	20.974666
"860590"	561.975866	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-2H+Na"	20.974666
"1633815"	561.975866	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Na-2H"	20.974666
"109208"	557.982263	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M-H+Cl"	33.962126
"549429"	828.482863	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M-H+Cl"	33.962126
"941069"	287.481663	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-H+Cl"	33.962126
"282632"	1116.971802	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+Cl"	34.969402
"675457"	1657.973002	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+Cl"	34.969402
"1287370"	575.970602	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Cl"	34.969402
"29565"	1118.951006	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M-2H+K"	36.948606
"470584"	1659.952206	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M-2H+K"	36.948606
"846679"	577.949806	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-2H+K"	36.948606
"1565427"	577.949806	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+K-2H"	36.948606
"956226"	585.999394	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-H+HCOOH"	44.998194
"373714"	1127.000601	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+HCOOH-H"	44.998201
"357960"	1141.016251	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+Hac-H"	59.013851
"1504244"	600.015051	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Hac-H"	59.013851
"966314"	607.981351	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-H+NaCOOH"	66.980151
"122517"	575.970602	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+2Cl"	69.938804
"563536"	846.471202	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+2Cl"	69.938804
"1032699"	305.470002	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2Cl"	69.938804
"1253733"	619.920085	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Br"	78.918885
"1314360"	621.976072	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Cl+HCOOH"	80.974872
"1335439"	643.958029	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Cl+NaCOOH"	102.956829
"926978"	653.986786	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M-H+CF3COOH"	112.985586
"1303895"	689.963464	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Cl+CF3COOH"	148.962264
"1382615"	505.988524	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H-2H2O"	-35.012676
"1397113"	523.9985	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H-H2O"	-17.0027
"298382"	1083.009676	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+H"	1.007276
"689587"	1624.010876	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+H"	1.007276
"1364840"	542.008476	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H"	1.007276
"139917"	542.008476	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+2H"	2.014552
"580574"	812.509076	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+2H"	2.014552
"1049370"	271.507876	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2H"	2.014552
"213990"	361.674742666667	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+3H"	3.021828
"655737"	542.008476	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+3H"	3.021828
"1171677"	181.341009333333	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+3H"	3.021828
"433856"	1100.036223	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+NH4"	18.033823
"798131"	1641.037423	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+NH4"	18.033823
"1688994"	559.035023	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+NH4"	18.033823
"339460"	550.5217495	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+H+NH4"	19.041099
"728601"	821.0223495	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+H+NH4"	19.041099
"1478775"	280.0211495	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H+NH4"	19.041099
"401105"	1104.991618	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+Na"	22.989218
"759913"	1645.992818	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+Na"	22.989218
"1614580"	563.990418	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Na"	22.989218
"328387"	552.999447	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+H+Na"	23.996494
"719602"	823.500047	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+H+Na"	23.996494
"1476332"	282.498847	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H+Na"	23.996494
"1066301"	188.668323333333	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2H+Na"	25.00377
"1271984"	574.034686	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+CH3OH+H"	33.033486
"391291"	1120.965558	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+K"	38.963158
"750097"	1661.966758	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+K"	38.963158
"1551056"	579.964358	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+K"	38.963158
"307870"	560.986417	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+H+K"	39.970434
"701382"	831.487017	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+H+K"	39.970434
"1447551"	290.485817	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H+K"	39.970434
"237246"	1124.036226	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+ACN+H"	42.033826
"1210190"	583.035026	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+ACN+H"	42.033826
"1195412"	292.021151	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+ACN+2H"	43.041102
"191808"	1126.97356	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+2Na-H"	44.97116
"633192"	1667.97476	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+2Na-H"	44.97116
"1139612"	585.97236	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2Na-H"	44.97116
"175978"	563.990418	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+2Na"	45.978436
"619547"	834.491018	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+2Na"	45.978436
"1120506"	293.489818	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2Na"	45.978436
"1405124"	195.995637333333	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H+2Na"	46.985712
"1443087"	588.013946	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H+HCOOH"	47.012746
"232047"	569.02344	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+3H2O+2H"	56.04448
"1521207"	602.06599	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+IsoProp+H"	61.06479
"421625"	571.977388	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+Na+K"	61.952376
"783714"	842.477988	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+Na+K"	61.952376
"1679313"	301.476788	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Na+K"	61.952376
"264374"	1146.018168	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+ACN+Na"	64.015768
"1237813"	605.016968	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+ACN+Na"	64.015768
"1725239"	605.040493	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+NH4+HCOOH"	64.039293
"1188772"	203.322951333333	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+3Na"	68.967654
"1661946"	609.995888	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Na+HCOOH"	68.994688
"168439"	1158.92144	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+2K-H"	76.91904
"602895"	1699.92264	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+2K-H"	76.91904
"1093969"	617.92024	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2K-H"	76.91904
"152614"	579.964358	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"2M+2K"	77.926316
"591807"	850.464958	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"3M+2K"	77.926316
"1078139"	309.463758	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2K"	77.926316
"1103696"	619.934792	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2K+H"	78.933592
"1336797"	620.022407	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+DMSO+H"	79.021207
"1009706"	624.061576	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2ACN+H"	83.060376
"1531113"	625.055208	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+IsoProp+Na+H"	84.054008
"999386"	312.534426	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+2ACN+2H"	84.067652
"1594253"	625.969828	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+K+HCOOH"	84.968628
"1422102"	656.001338	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+H+CF3COOH"	115.000138
"1155672"	333.047701	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+3ACN+2H"	125.094202
"1705225"	673.027885	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+NH4+CF3COOH"	132.026685
"1644155"	677.98328	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+Na+CF3COOH"	136.98208
"1581992"	693.95722	"C05922"	"Formamidopyrimidine nucleoside triphosphate"	"C10H18N5O15P3"	"541.0012"	"M+K+CF3COOH"	152.95602
"802879"	513.0063	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M"	0
"976045"	493.98791	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-H2O-H"	-19.01839
"66474"	340.996924	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M-3H"	-3.021828
"505671"	511.999024	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M-3H"	-3.021828
"884931"	169.994824	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-3H"	-3.021828
"7882"	511.999024	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M-2H"	-2.014552
"454733"	768.502174	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M-2H"	-2.014552
"823058"	255.495874	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-2H"	-2.014552
"88518"	1025.005324	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M-H"	-1.007276
"529172"	1538.011624	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M-H"	-1.007276
"903695"	511.999024	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-H"	-1.007276
"50413"	1042.031871	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M-2H+NH4"	16.019271
"489976"	1555.038171	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M-2H+NH4"	16.019271
"868871"	529.025571	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-2H+NH4"	16.019271
"34585"	1046.987266	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M-2H+Na"	20.974666
"483991"	1559.993566	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M-2H+Na"	20.974666
"862885"	533.980966	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-2H+Na"	20.974666
"1631693"	533.980966	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Na-2H"	20.974666
"109319"	529.987363	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M-H+Cl"	33.962126
"549133"	786.490513	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M-H+Cl"	33.962126
"940934"	273.484213	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-H+Cl"	33.962126
"282132"	1060.982002	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+Cl"	34.969402
"674836"	1573.988302	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+Cl"	34.969402
"1287600"	547.975702	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Cl"	34.969402
"30159"	1062.961206	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M-2H+K"	36.948606
"470324"	1575.967506	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M-2H+K"	36.948606
"846789"	549.954906	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-2H+K"	36.948606
"1566630"	549.954906	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+K-2H"	36.948606
"955972"	558.004494	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-H+HCOOH"	44.998194
"373457"	1071.010801	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+HCOOH-H"	44.998201
"357341"	1085.026451	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+Hac-H"	59.013851
"1504354"	572.020151	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Hac-H"	59.013851
"966424"	579.986451	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-H+NaCOOH"	66.980151
"122627"	547.975702	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+2Cl"	69.938804
"564010"	804.478852	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+2Cl"	69.938804
"1032809"	291.472552	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2Cl"	69.938804
"1252020"	591.925185	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Br"	78.918885
"1314470"	593.981172	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Cl+HCOOH"	80.974872
"1335383"	615.963129	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Cl+NaCOOH"	102.956829
"927042"	625.991886	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M-H+CF3COOH"	112.985586
"1303999"	661.968564	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Cl+CF3COOH"	148.962264
"1382283"	477.993624	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H-2H2O"	-35.012676
"1398317"	496.0036	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H-H2O"	-17.0027
"298001"	1027.019876	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+H"	1.007276
"691197"	1540.026176	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+H"	1.007276
"1364950"	514.013576	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H"	1.007276
"141122"	514.013576	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+2H"	2.014552
"578497"	770.516726	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+2H"	2.014552
"1051669"	257.510426	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2H"	2.014552
"217382"	343.011476	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+3H"	3.021828
"654754"	514.013576	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+3H"	3.021828
"1171787"	172.009376	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+3H"	3.021828
"433966"	1044.046423	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+NH4"	18.033823
"798241"	1557.052723	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+NH4"	18.033823
"1690197"	531.040123	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+NH4"	18.033823
"339570"	522.5268495	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+H+NH4"	19.041099
"727618"	779.0299995	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+H+NH4"	19.041099
"1478521"	266.0236995	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H+NH4"	19.041099
"398663"	1049.001818	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+Na"	22.989218
"757471"	1562.008118	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+Na"	22.989218
"1614690"	535.995518	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Na"	22.989218
"328376"	525.004547	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+H+Na"	23.996494
"719339"	781.507697	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+H+Na"	23.996494
"1473159"	268.501397	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H+Na"	23.996494
"1066404"	179.33669	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2H+Na"	25.00377
"1271365"	546.039786	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+CH3OH+H"	33.033486
"391033"	1064.975758	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+K"	38.963158
"752029"	1577.982058	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+K"	38.963158
"1552987"	551.969458	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+K"	38.963158
"310167"	532.991517	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+H+K"	39.970434
"700400"	789.494667	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+H+K"	39.970434
"1449848"	276.488367	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H+K"	39.970434
"237717"	1068.046426	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+ACN+H"	42.033826
"1211153"	555.040126	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+ACN+H"	42.033826
"1196494"	278.023701	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+ACN+2H"	43.041102
"194835"	1070.98376	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+2Na-H"	44.97116
"634758"	1583.99006	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+2Na-H"	44.97116
"1138629"	557.97746	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2Na-H"	44.97116
"176452"	535.995518	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+2Na"	45.978436
"619656"	792.498668	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+2Na"	45.978436
"1121344"	279.492368	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2Na"	45.978436
"1404140"	186.664004	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H+2Na"	46.985712
"1444896"	560.019046	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H+HCOOH"	47.012746
"234350"	541.02854	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+3H2O+2H"	56.04448
"1520225"	574.07109	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+IsoProp+H"	61.06479
"422100"	543.982488	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+Na+K"	61.952376
"782366"	800.485638	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+Na+K"	61.952376
"1679791"	287.479338	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Na+K"	61.952376
"264123"	1090.028368	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+ACN+Na"	64.015768
"1238655"	577.022068	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+ACN+Na"	64.015768
"1726447"	577.045593	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+NH4+HCOOH"	64.039293
"1188519"	193.991318	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+3Na"	68.967654
"1662055"	582.000988	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Na+HCOOH"	68.994688
"167821"	1102.93164	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+2K-H"	76.91904
"607016"	1615.93794	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+2K-H"	76.91904
"1094079"	589.92534	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2K-H"	76.91904
"152725"	551.969458	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"2M+2K"	77.926316
"590458"	808.472608	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"3M+2K"	77.926316
"1078250"	295.466308	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2K"	77.926316
"1107087"	591.939892	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2K+H"	78.933592
"1337152"	592.027507	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+DMSO+H"	79.021207
"1007628"	596.066676	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2ACN+H"	83.060376
"1529033"	597.060308	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+IsoProp+Na+H"	84.054008
"1001319"	298.536976	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+2ACN+2H"	84.067652
"1595455"	597.974928	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+K+HCOOH"	84.968628
"1422212"	628.006438	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+H+CF3COOH"	115.000138
"1159792"	319.050251	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+3ACN+2H"	125.094202
"1705335"	645.032985	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+NH4+CF3COOH"	132.026685
"1644265"	649.98838	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+Na+CF3COOH"	136.98208
"1582102"	665.96232	"C05923"	"25-Diaminopyrimidine nucleoside triphosphate"	"C9H18N5O14P3"	"513.0063"	"M+K+CF3COOH"	152.95602
"804446"	395.0123	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M"	0
"974696"	375.99391	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-H2O-H"	-19.01839
"64032"	262.334257333333	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M-3H"	-3.021828
"505417"	394.005024	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M-3H"	-3.021828
"882489"	130.663490666667	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-3H"	-3.021828
"7992"	394.005024	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M-2H"	-2.014552
"451927"	591.511174	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M-2H"	-2.014552
"819888"	196.498874	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-2H"	-2.014552
"85348"	789.017324	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M-H"	-1.007276
"526002"	1184.029624	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M-H"	-1.007276
"899431"	394.005024	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-H"	-1.007276
"47251"	806.043871	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M-2H+NH4"	16.019271
"487397"	1201.056171	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M-2H+NH4"	16.019271
"866794"	411.031571	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-2H+NH4"	16.019271
"31512"	810.999266	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M-2H+Na"	20.974666
"486287"	1206.011566	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M-2H+Na"	20.974666
"862994"	415.986966	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-2H+Na"	20.974666
"1631437"	415.986966	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Na-2H"	20.974666
"109511"	411.993363	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M-H+Cl"	33.962126
"549688"	609.499513	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M-H+Cl"	33.962126
"942303"	214.487213	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-H+Cl"	33.962126
"277414"	824.994002	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+Cl"	34.969402
"675346"	1220.006302	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+Cl"	34.969402
"1287463"	429.981702	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Cl"	34.969402
"29167"	826.973206	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M-2H+K"	36.948606
"469822"	1221.985506	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M-2H+K"	36.948606
"845438"	431.960906	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-2H+K"	36.948606
"1565646"	431.960906	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+K-2H"	36.948606
"951343"	440.010494	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-H+HCOOH"	44.998194
"372838"	835.022801	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+HCOOH-H"	44.998201
"357452"	849.038451	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+Hac-H"	59.013851
"1500089"	454.026151	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Hac-H"	59.013851
"964347"	461.992451	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-H+NaCOOH"	66.980151
"122008"	429.981702	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+2Cl"	69.938804
"561569"	627.487852	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+2Cl"	69.938804
"1033648"	232.475552	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2Cl"	69.938804
"1243747"	473.931185	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Br"	78.918885
"1312393"	475.987172	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Cl+HCOOH"	80.974872
"1331717"	497.969129	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Cl+NaCOOH"	102.956829
"926671"	507.997886	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M-H+CF3COOH"	112.985586
"1302768"	543.974564	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Cl+CF3COOH"	148.962264
"1376920"	359.999624	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H-2H2O"	-35.012676
"1392228"	378.0096	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H-H2O"	-17.0027
"295192"	791.031876	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+H"	1.007276
"687618"	1186.044176	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+H"	1.007276
"1360687"	396.019576	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H"	1.007276
"139047"	396.019576	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+2H"	2.014552
"576420"	593.525726	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+2H"	2.014552
"1050685"	198.513426	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2H"	2.014552
"218585"	264.348809333333	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+3H"	3.021828
"657051"	396.019576	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+3H"	3.021828
"1168616"	132.678042666667	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+3H"	3.021828
"430796"	808.058423	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+NH4"	18.033823
"795072"	1203.070723	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+NH4"	18.033823
"1685934"	413.046123	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+NH4"	18.033823
"335307"	404.5328495	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+H+NH4"	19.041099
"722979"	602.0389995	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+H+NH4"	19.041099
"1477292"	207.0266995	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H+NH4"	19.041099
"394761"	813.013818	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+Na"	22.989218
"754537"	1208.026118	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+Na"	22.989218
"1602730"	418.001518	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Na"	22.989218
"318270"	407.010547	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+H+Na"	23.996494
"720908"	604.516697	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+H+Na"	23.996494
"1474363"	209.504397	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H+Na"	23.996494
"1065785"	140.005356666667	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2H+Na"	25.00377
"1267098"	428.045786	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+CH3OH+H"	33.033486
"389683"	828.987758	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+K"	38.963158
"752503"	1224.000058	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+K"	38.963158
"1549817"	433.975458	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+K"	38.963158
"310276"	414.997517	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+H+K"	39.970434
"704156"	612.503667	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+H+K"	39.970434
"1447042"	217.491367	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H+K"	39.970434
"238192"	832.058426	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+ACN+H"	42.033826
"1213815"	437.046126	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+ACN+H"	42.033826
"1202804"	219.026701	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+ACN+2H"	43.041102
"195676"	834.99576	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+2Na-H"	44.97116
"638514"	1230.00806	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+2Na-H"	44.97116
"1139103"	439.98346	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2Na-H"	44.97116
"179842"	418.001518	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+2Na"	45.978436
"620495"	615.507668	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+2Na"	45.978436
"1121454"	220.495368	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2Na"	45.978436
"1403157"	147.332670666667	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H+2Na"	46.985712
"1443308"	442.025046	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H+HCOOH"	47.012746
"231544"	423.03454	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+3H2O+2H"	56.04448
"1522522"	456.07709	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+IsoProp+H"	61.06479
"421847"	425.988488	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+Na+K"	61.952376
"784663"	623.494638	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+Na+K"	61.952376
"1680271"	228.482338	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Na+K"	61.952376
"264232"	854.040368	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+ACN+Na"	64.015768
"1237669"	459.028068	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+ACN+Na"	64.015768
"1725461"	459.051593	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+NH4+HCOOH"	64.039293
"1191182"	154.659984666667	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+3Na"	68.967654
"1661802"	464.006988	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Na+HCOOH"	68.994688
"169391"	866.94364	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+2K-H"	76.91904
"607490"	1261.95594	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+2K-H"	76.91904
"1094189"	471.93134	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2K-H"	76.91904
"154290"	433.975458	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"2M+2K"	77.926316
"594218"	631.481608	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"3M+2K"	77.926316
"1075080"	236.469308	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2K"	77.926316
"1109749"	473.945892	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2K+H"	78.933592
"1343584"	474.033507	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+DMSO+H"	79.021207
"1009926"	478.072676	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2ACN+H"	83.060376
"1531333"	479.066308	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+IsoProp+Na+H"	84.054008
"1003619"	239.539976	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+2ACN+2H"	84.067652
"1601529"	479.980928	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+K+HCOOH"	84.968628
"1428157"	510.012438	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+H+CF3COOH"	115.000138
"1160269"	260.053251	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+3ACN+2H"	125.094202
"1710912"	527.038985	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+NH4+CF3COOH"	132.026685
"1647655"	531.99438	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+Na+CF3COOH"	136.98208
"1582212"	547.96832	"C05924"	"Molybdopterin;Pyranopterin;H2Dtpp-mP"	"C10H14N5O6PS2"	"395.0123"	"M+K+CF3COOH"	152.95602
"809296"	335.0631	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M"	0
"979547"	316.04471	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H2O-H"	-19.01839
"69976"	222.368124	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-3H"	-3.021828
"507350"	334.055824	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-3H"	-3.021828
"884058"	110.680424	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-3H"	-3.021828
"2634"	334.055824	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H"	-2.014552
"451673"	501.587374	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H"	-2.014552
"821091"	166.524274	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H"	-2.014552
"82178"	669.118924	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-H"	-1.007276
"522833"	1004.182024	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-H"	-1.007276
"897474"	334.055824	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H"	-1.007276
"47233"	686.145471	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H+NH4"	16.019271
"487129"	1021.208571	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H+NH4"	16.019271
"865080"	351.082371	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H+NH4"	16.019271
"31469"	691.100866	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H+Na"	20.974666
"483115"	1026.163966	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H+Na"	20.974666
"857636"	356.037766	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H+Na"	20.974666
"1631547"	356.037766	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na-2H"	20.974666
"106981"	352.044163	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-H+Cl"	33.962126
"549798"	519.575713	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-H+Cl"	33.962126
"940059"	184.512613	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+Cl"	33.962126
"277523"	705.095602	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Cl"	34.969402
"675252"	1040.158702	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+Cl"	34.969402
"1287451"	370.032502	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl"	34.969402
"30370"	707.074806	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H+K"	36.948606
"468839"	1042.137906	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H+K"	36.948606
"836800"	372.011706	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H+K"	36.948606
"1562475"	372.011706	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K-2H"	36.948606
"954733"	380.061294	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+HCOOH"	44.998194
"369667"	715.124401	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+HCOOH-H"	44.998201
"357926"	729.140051	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Hac-H"	59.013851
"1500198"	394.076951	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Hac-H"	59.013851
"965550"	402.043251	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+NaCOOH"	66.980151
"116650"	370.032502	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2Cl"	69.938804
"557304"	537.564052	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2Cl"	69.938804
"1028290"	202.500952	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2Cl"	69.938804
"1243493"	413.981985	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Br"	78.918885
"1308127"	416.037972	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl+HCOOH"	80.974872
"1322342"	438.019929	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl+NaCOOH"	102.956829
"923246"	448.048686	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+CF3COOH"	112.985586
"1301417"	484.025364	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl+CF3COOH"	148.962264
"1377030"	300.050424	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H-2H2O"	-35.012676
"1392338"	318.0604	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H-H2O"	-17.0027
"296396"	671.133476	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H"	1.007276
"687728"	1006.196576	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H"	1.007276
"1360797"	336.070376	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H"	1.007276
"139157"	336.070376	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2H"	2.014552
"577625"	503.601926	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2H"	2.014552
"1051404"	168.538826	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2H"	2.014552
"215417"	224.382676	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+3H"	3.021828
"656071"	336.070376	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+3H"	3.021828
"1168727"	112.694976	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+3H"	3.021828
"424336"	688.160023	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+NH4"	18.033823
"788984"	1023.223123	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+NH4"	18.033823
"1683127"	353.096923	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+NH4"	18.033823
"330677"	344.5836495	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H+NH4"	19.041099
"723051"	512.1151995	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H+NH4"	19.041099
"1478741"	177.0520995	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+NH4"	19.041099
"393778"	693.115418	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Na"	22.989218
"754647"	1028.178518	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+Na"	22.989218
"1602860"	358.052318	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na"	22.989218
"316192"	347.061347	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H+Na"	23.996494
"709706"	514.592897	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H+Na"	23.996494
"1473379"	179.529797	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+Na"	23.996494
"1065894"	120.02229	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2H+Na"	25.00377
"1267208"	368.096586	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+CH3OH+H"	33.033486
"390157"	709.089358	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+K"	38.963158
"750061"	1044.152458	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+K"	38.963158
"1552843"	374.026258	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K"	38.963158
"309291"	355.048317	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H+K"	39.970434
"704630"	522.579867	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H+K"	39.970434
"1455535"	187.516767	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+K"	39.970434
"236845"	712.160026	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+ACN+H"	42.033826
"1213563"	377.096926	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+ACN+H"	42.033826
"1202914"	189.052101	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+ACN+2H"	43.041102
"196879"	715.09736	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2Na-H"	44.97116
"638624"	1050.16046	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2Na-H"	44.97116
"1139577"	380.03426	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2Na-H"	44.97116
"177036"	358.052318	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2Na"	45.978436
"620241"	525.583868	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2Na"	45.978436
"1120470"	190.520768	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2Na"	45.978436
"1405452"	127.349604	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+2Na"	46.985712
"1443054"	382.075846	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+HCOOH"	47.012746
"234569"	363.08534	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+3H2O+2H"	56.04448
"1523360"	396.12789	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+IsoProp+H"	61.06479
"422682"	366.039288	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Na+K"	61.952376
"784770"	533.570838	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+Na+K"	61.952376
"1678914"	198.507738	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na+K"	61.952376
"265433"	734.141968	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+ACN+Na"	64.015768
"1239600"	399.078868	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+ACN+Na"	64.015768
"1725930"	399.102393	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+NH4+HCOOH"	64.039293
"1190924"	134.676918	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+3Na"	68.967654
"1660816"	404.057788	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na+HCOOH"	68.994688
"169503"	747.04524	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2K-H"	76.91904
"608696"	1082.10834	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2K-H"	76.91904
"1097216"	411.98214	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2K-H"	76.91904
"154035"	374.026258	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2K"	77.926316
"592865"	541.557808	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2K"	77.926316
"1071910"	206.494708	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2K"	77.926316
"1104023"	413.996692	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2K+H"	78.933592
"1341506"	414.084307	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+DMSO+H"	79.021207
"1008214"	418.123476	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2ACN+H"	83.060376
"1525610"	419.117108	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+IsoProp+Na+H"	84.054008
"1004458"	209.565376	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2ACN+2H"	84.067652
"1602118"	420.031728	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K+HCOOH"	84.968628
"1422431"	450.063238	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+CF3COOH"	115.000138
"1161106"	230.078651	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+3ACN+2H"	125.094202
"1709929"	467.089785	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+NH4+CF3COOH"	132.026685
"1647401"	472.04518	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na+CF3COOH"	136.98208
"1582322"	488.01912	"C05925"	"Dihydroneopterin phosphate;2-Amino-4-hydroxy-6-(erythro-123-trihydroxypropyl)dihydropteridine phosphate;78-Dihydroneopterin 3-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K+CF3COOH"	152.95602
"806125"	253.0811	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M"	0
"976376"	234.06271	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-H2O-H"	-19.01839
"64618"	167.713457333333	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M-3H"	-3.021828
"505273"	252.073824	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M-3H"	-3.021828
"880888"	83.3530906666667	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-3H"	-3.021828
"4932"	252.073824	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M-2H"	-2.014552
"448868"	378.614374	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M-2H"	-2.014552
"823389"	125.533274	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-2H"	-2.014552
"85569"	505.154924	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M-H"	-1.007276
"526225"	758.236024	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M-H"	-1.007276
"898191"	252.073824	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-H"	-1.007276
"47332"	522.181471	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M-2H+NH4"	16.019271
"487297"	775.262571	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M-2H+NH4"	16.019271
"867014"	269.100371	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-2H+NH4"	16.019271
"31670"	527.136866	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M-2H+Na"	20.974666
"483225"	780.217966	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M-2H+Na"	20.974666
"857746"	274.055766	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-2H+Na"	20.974666
"1631658"	274.055766	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Na-2H"	20.974666
"108798"	270.062163	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M-H+Cl"	33.962126
"549498"	396.602713	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M-H+Cl"	33.962126
"939076"	143.521613	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-H+Cl"	33.962126
"279821"	541.131602	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+Cl"	34.969402
"673334"	794.212702	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+Cl"	34.969402
"1285739"	288.050502	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Cl"	34.969402
"29269"	543.110806	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M-2H+K"	36.948606
"470042"	796.191906	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M-2H+K"	36.948606
"842377"	290.029706	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-2H+K"	36.948606
"1562585"	290.029706	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+K-2H"	36.948606
"954842"	298.079294	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-H+HCOOH"	44.998194
"369778"	551.160401	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+HCOOH-H"	44.998201
"356943"	565.176051	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+Hac-H"	59.013851
"1499215"	312.094951	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Hac-H"	59.013851
"965662"	320.061251	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-H+NaCOOH"	66.980151
"117853"	288.050502	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+2Cl"	69.938804
"557414"	414.591052	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+2Cl"	69.938804
"1028401"	161.509952	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2Cl"	69.938804
"1247978"	331.999985	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Br"	78.918885
"1306416"	334.055972	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Cl+HCOOH"	80.974872
"1323546"	356.037929	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Cl+NaCOOH"	102.956829
"921169"	366.066686	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M-H+CF3COOH"	112.985586
"1301527"	402.043364	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Cl+CF3COOH"	148.962264
"1379327"	218.068424	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H-2H2O"	-35.012676
"1396459"	236.0784	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H-H2O"	-17.0027
"296507"	507.169476	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+H"	1.007276
"690026"	760.250576	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+H"	1.007276
"1362000"	254.088376	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H"	1.007276
"139264"	254.088376	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+2H"	2.014552
"580896"	380.628926	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+2H"	2.014552
"1048716"	127.547826	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2H"	2.014552
"218445"	169.728009333333	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+3H"	3.021828
"658004"	254.088376	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+3H"	3.021828
"1172117"	85.3676426666667	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+3H"	3.021828
"426642"	524.196023	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+NH4"	18.033823
"788729"	777.277123	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+NH4"	18.033823
"1684696"	271.114923	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+NH4"	18.033823
"334068"	262.6016495	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+H+NH4"	19.041099
"722806"	389.1421995	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+H+NH4"	19.041099
"1477879"	136.0610995	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H+NH4"	19.041099
"395346"	529.151418	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+Na"	22.989218
"755978"	782.232518	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+Na"	22.989218
"1605532"	276.070318	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Na"	22.989218
"316300"	265.079347	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+H+Na"	23.996494
"709817"	391.619897	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+H+Na"	23.996494
"1473489"	138.538797	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H+Na"	23.996494
"1066005"	92.6949566666667	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2H+Na"	25.00377
"1270597"	286.114586	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+CH3OH+H"	33.033486
"389171"	545.125358	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+K"	38.963158
"747983"	798.206458	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+K"	38.963158
"1547848"	292.044258	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+K"	38.963158
"309399"	273.066317	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+H+K"	39.970434
"706199"	399.606867	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+H+K"	39.970434
"1458562"	146.525767	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H+K"	39.970434
"240966"	548.196026	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+ACN+H"	42.033826
"1214768"	295.114926	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+ACN+H"	42.033826
"1200837"	148.061101	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+ACN+2H"	43.041102
"195895"	551.13336	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+2Na-H"	44.97116
"638734"	804.21446	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+2Na-H"	44.97116
"1142239"	298.05226	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2Na-H"	44.97116
"177146"	276.070318	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+2Na"	45.978436
"619622"	402.610868	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+2Na"	45.978436
"1118755"	149.529768	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2Na"	45.978436
"1403376"	100.022270666667	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H+2Na"	46.985712
"1443163"	300.093846	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H+HCOOH"	47.012746
"233585"	281.10334	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+3H2O+2H"	56.04448
"1521283"	314.14589	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+IsoProp+H"	61.06479
"422068"	284.057288	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+Na+K"	61.952376
"783423"	410.597838	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+Na+K"	61.952376
"1679023"	157.516738	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Na+K"	61.952376
"263722"	570.177968	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+ACN+Na"	64.015768
"1236795"	317.096868	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+ACN+Na"	64.015768
"1723128"	317.120393	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+NH4+HCOOH"	64.039293
"1188118"	107.349584666667	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+3Na"	68.967654
"1660564"	322.075788	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Na+HCOOH"	68.994688
"169975"	583.08124	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+2K-H"	76.91904
"605157"	836.16234	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+2K-H"	76.91904
"1092220"	330.00014	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2K-H"	76.91904
"151223"	292.044258	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"2M+2K"	77.926316
"593335"	418.584808	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"3M+2K"	77.926316
"1072014"	165.503708	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2K"	77.926316
"1103037"	332.014692	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2K+H"	78.933592
"1341616"	332.102307	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+DMSO+H"	79.021207
"1007960"	336.141476	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2ACN+H"	83.060376
"1524992"	337.135108	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+IsoProp+Na+H"	84.054008
"1005424"	168.574376	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+2ACN+2H"	84.067652
"1602675"	338.049728	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+K+HCOOH"	84.968628
"1425820"	368.081238	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+H+CF3COOH"	115.000138
"1161944"	189.087651	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+3ACN+2H"	125.094202
"1710039"	385.107785	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+NH4+CF3COOH"	132.026685
"1647511"	390.06318	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+Na+CF3COOH"	136.98208
"1582432"	406.03712	"C05926"	"Neopterin;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridin-4-one;S-(RS)-2-amino-6-(123-trihydroxypropyl)-1H-pteridine-4-one;S-(RS)-2-Amino-6-(123-trihydroxypropyl)-1H-pteridin-4-on;6-(D-erythro-123-Trihydroxypropyl)pterin;6-D-erythro-Neopterin;D-erythro-Neopterin;D-Neopterin"	"C9H11N5O4"	"253.0811"	"M+K+CF3COOH"	152.95602
"807328"	774.2473	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M"	0
"976486"	755.22891	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-H2O-H"	-19.01839
"65822"	515.157590666667	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M-3H"	-3.021828
"504290"	773.240024	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M-3H"	-3.021828
"886467"	257.075157333333	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-3H"	-3.021828
"2856"	773.240024	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M-2H"	-2.014552
"445699"	1160.363674	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M-2H"	-2.014552
"823499"	386.116374	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-2H"	-2.014552
"87866"	1547.487324	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M-H"	-1.007276
"520500"	2321.734624	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M-H"	-1.007276
"898301"	773.240024	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-H"	-1.007276
"48297"	1564.513871	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M-2H+NH4"	16.019271
"491511"	2338.761171	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M-2H+NH4"	16.019271
"865301"	790.266571	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-2H+NH4"	16.019271
"36119"	1569.469266	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M-2H+Na"	20.974666
"485161"	2343.716566	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M-2H+Na"	20.974666
"860049"	795.221966	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-2H+Na"	20.974666
"1630676"	795.221966	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Na-2H"	20.974666
"107203"	791.228363	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M-H+Cl"	33.962126
"548586"	1178.352013	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M-H+Cl"	33.962126
"939187"	404.104713	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-H+Cl"	33.962126
"276648"	1583.464002	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+Cl"	34.969402
"674666"	2357.711302	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+Cl"	34.969402
"1286823"	809.216702	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Cl"	34.969402
"28406"	1585.443206	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M-2H+K"	36.948606
"464685"	2359.690506	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M-2H+K"	36.948606
"842487"	811.195906	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-2H+K"	36.948606
"1563788"	811.195906	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+K-2H"	36.948606
"951671"	819.245494	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-H+HCOOH"	44.998194
"371710"	1593.492801	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+HCOOH-H"	44.998201
"354865"	1607.508451	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+Hac-H"	59.013851
"1496043"	833.261151	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Hac-H"	59.013851
"966865"	841.227451	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-H+NaCOOH"	66.980151
"119055"	809.216702	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+2Cl"	69.938804
"552785"	1196.340352	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+2Cl"	69.938804
"1026324"	422.093052	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2Cl"	69.938804
"1249182"	853.166185	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Br"	78.918885
"1312724"	855.222172	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Cl+HCOOH"	80.974872
"1325478"	877.204129	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Cl+NaCOOH"	102.956829
"917999"	887.232886	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M-H+CF3COOH"	112.985586
"1300180"	923.209564	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Cl+CF3COOH"	148.962264
"1376156"	739.234624	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H-2H2O"	-35.012676
"1395839"	757.2446	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H-H2O"	-17.0027
"288964"	1549.501876	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+H"	1.007276
"690136"	2323.749176	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+H"	1.007276
"1361017"	775.254576	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H"	1.007276
"139374"	775.254576	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+2H"	2.014552
"579907"	1162.378226	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+2H"	2.014552
"1045546"	388.130926	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2H"	2.014552
"217823"	517.172142666667	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+3H"	3.021828
"659925"	775.254576	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+3H"	3.021828
"1171131"	259.089709333333	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+3H"	3.021828
"433310"	1566.528423	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+NH4"	18.033823
"791027"	2340.775723	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+NH4"	18.033823
"1685171"	792.281123	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+NH4"	18.033823
"334178"	783.7678495	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+H+NH4"	19.041099
"722949"	1170.8914995	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+H+NH4"	19.041099
"1480420"	396.6441995	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H+NH4"	19.041099
"398376"	1571.483818	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+Na"	22.989218
"763745"	2345.731118	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+Na"	22.989218
"1608561"	797.236518	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Na"	22.989218
"317504"	786.245547	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+H+Na"	23.996494
"715396"	1173.369197	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+H+Na"	23.996494
"1473234"	399.121897	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H+Na"	23.996494
"1066118"	266.417023333333	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2H+Na"	25.00377
"1270470"	807.280786	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+CH3OH+H"	33.033486
"390374"	1587.457758	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+K"	38.963158
"751374"	2361.705058	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+K"	38.963158
"1550145"	813.210458	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+K"	38.963158
"310968"	794.232517	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+H+K"	39.970434
"705944"	1181.356167	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+H+K"	39.970434
"1458308"	407.108867	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H+K"	39.970434
"242169"	1590.528426	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+ACN+H"	42.033826
"1214878"	816.281126	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+ACN+H"	42.033826
"1200947"	408.644201	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+ACN+2H"	43.041102
"196004"	1593.46576	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+2Na-H"	44.97116
"637751"	2367.71306	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+2Na-H"	44.97116
"1142349"	819.21846	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2Na-H"	44.97116
"180536"	797.236518	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+2Na"	45.978436
"619732"	1184.360168	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+2Na"	45.978436
"1116189"	410.112868	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2Na"	45.978436
"1403486"	273.744337333333	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H+2Na"	46.985712
"1444365"	821.260046	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H+HCOOH"	47.012746
"233210"	802.26954	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+3H2O+2H"	56.04448
"1521393"	835.31209	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+IsoProp+H"	61.06479
"421812"	805.223488	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+Na+K"	61.952376
"784140"	1192.347138	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+Na+K"	61.952376
"1679131"	418.099838	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Na+K"	61.952376
"264560"	1612.510368	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+ACN+Na"	64.015768
"1237266"	838.263068	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+ACN+Na"	64.015768
"1726518"	838.286593	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+NH4+HCOOH"	64.039293
"1191144"	281.071651333333	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+3Na"	68.967654
"1661767"	843.241988	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Na+HCOOH"	68.994688
"168260"	1625.41364	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+2K-H"	76.91904
"607819"	2399.66094	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+2K-H"	76.91904
"1093423"	851.16634	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2K-H"	76.91904
"151699"	813.210458	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"2M+2K"	77.926316
"588706"	1200.334108	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"3M+2K"	77.926316
"1071031"	426.086808	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2K"	77.926316
"1103148"	853.180892	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2K+H"	78.933592
"1340633"	853.268507	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+DMSO+H"	79.021207
"1008070"	857.307676	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2ACN+H"	83.060376
"1527288"	858.301308	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+IsoProp+Na+H"	84.054008
"1005576"	429.157476	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+2ACN+2H"	84.067652
"1602615"	859.215928	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+K+HCOOH"	84.968628
"1425930"	889.247438	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+H+CF3COOH"	115.000138
"1161327"	449.670751	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+3ACN+2H"	125.094202
"1710146"	906.273985	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+NH4+CF3COOH"	132.026685
"1647621"	911.22938	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+Na+CF3COOH"	136.98208
"1582542"	927.20332	"C05927"	"78-Dihydromethanopterin"	"C30H43N6O16P"	"774.2473"	"M+K+CF3COOH"	152.95602
"803429"	602.2085	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M"	0
"976596"	583.19011	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-H2O-H"	-19.01839
"63137"	400.465057333333	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M-3H"	-3.021828
"504400"	601.201224	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M-3H"	-3.021828
"882203"	199.728890666667	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-3H"	-3.021828
"8434"	601.201224	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M-2H"	-2.014552
"452736"	902.305474	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M-2H"	-2.014552
"823610"	300.096974	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-2H"	-2.014552
"87977"	1203.409724	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M-H"	-1.007276
"528630"	1805.618224	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M-H"	-1.007276
"896341"	601.201224	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-H"	-1.007276
"49872"	1220.436271	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M-2H+NH4"	16.019271
"493809"	1822.644771	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M-2H+NH4"	16.019271
"868329"	618.227771	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-2H+NH4"	16.019271
"40604"	1225.391666	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M-2H+Na"	20.974666
"484542"	1827.600166	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M-2H+Na"	20.974666
"862345"	623.183166	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-2H+Na"	20.974666
"1630786"	623.183166	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Na-2H"	20.974666
"106950"	619.189563	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M-H+Cl"	33.962126
"548696"	920.293813	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M-H+Cl"	33.962126
"932735"	318.085313	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-H+Cl"	33.962126
"281496"	1239.386402	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+Cl"	34.969402
"672465"	1841.594902	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+Cl"	34.969402
"1282680"	637.177902	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Cl"	34.969402
"27422"	1241.365606	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M-2H+K"	36.948606
"464795"	1843.574106	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M-2H+K"	36.948606
"842597"	639.157106	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-2H+K"	36.948606
"1560982"	639.157106	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+K-2H"	36.948606
"948500"	647.206694	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-H+HCOOH"	44.998194
"364530"	1249.415201	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+HCOOH-H"	44.998201
"354975"	1263.430851	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+Hac-H"	59.013851
"1495061"	661.222351	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Hac-H"	59.013851
"963694"	669.188651	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-H+NaCOOH"	66.980151
"120259"	637.177902	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+2Cl"	69.938804
"554354"	938.282152	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+2Cl"	69.938804
"1024248"	336.073652	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2Cl"	69.938804
"1247106"	681.127385	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Br"	78.918885
"1311741"	683.183372	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Cl+HCOOH"	80.974872
"1322673"	705.165329	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Cl+NaCOOH"	102.956829
"917016"	715.194086	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M-H+CF3COOH"	112.985586
"1300290"	751.170764	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Cl+CF3COOH"	148.962264
"1376266"	567.195824	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H-2H2O"	-35.012676
"1396678"	585.2058	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H-H2O"	-17.0027
"290167"	1205.424276	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+H"	1.007276
"689152"	1807.632776	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+H"	1.007276
"1361127"	603.215776	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H"	1.007276
"137297"	603.215776	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+2H"	2.014552
"580138"	904.320026	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+2H"	2.014552
"1044562"	302.111526	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2H"	2.014552
"216840"	402.479609333333	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+3H"	3.021828
"658584"	603.215776	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+3H"	3.021828
"1171241"	201.743442666667	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+3H"	3.021828
"433420"	1222.450823	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+NH4"	18.033823
"791139"	1824.659323	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+NH4"	18.033823
"1686375"	620.242323	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+NH4"	18.033823
"333924"	611.7290495	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+H+NH4"	19.041099
"724888"	912.8332995	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+H+NH4"	19.041099
"1479802"	310.6247995	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H+NH4"	19.041099
"398486"	1227.406218	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+Na"	22.989218
"763855"	1829.614718	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+Na"	22.989218
"1608671"	625.197718	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Na"	22.989218
"315792"	614.206747	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+H+Na"	23.996494
"715506"	915.310997	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+H+Na"	23.996494
"1476865"	313.102497	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H+Na"	23.996494
"1066952"	209.070756666667	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2H+Na"	25.00377
"1270461"	635.241986	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+CH3OH+H"	33.033486
"390485"	1243.380158	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+K"	38.963158
"750390"	1845.588658	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+K"	38.963158
"1552442"	641.171658	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+K"	38.963158
"311078"	622.193717	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+H+K"	39.970434
"706665"	923.297967	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+H+K"	39.970434
"1459511"	321.089467	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H+K"	39.970434
"245558"	1246.450826	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+ACN+H"	42.033826
"1217175"	644.242326	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+ACN+H"	42.033826
"1206525"	322.624801	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+ACN+2H"	43.041102
"196114"	1249.38816	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+2Na-H"	44.97116
"638955"	1851.59666	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+2Na-H"	44.97116
"1144283"	647.17966	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2Na-H"	44.97116
"184657"	625.197718	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+2Na"	45.978436
"624217"	926.301968	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+2Na"	45.978436
"1119703"	324.093468	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2Na"	45.978436
"1403596"	216.398070666667	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H+2Na"	46.985712
"1444599"	649.221246	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H+HCOOH"	47.012746
"234539"	630.23074	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+3H2O+2H"	56.04448
"1521873"	663.27329	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+IsoProp+H"	61.06479
"421555"	633.184688	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+Na+K"	61.952376
"782914"	934.288938	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+Na+K"	61.952376
"1677055"	332.080438	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Na+K"	61.952376
"264307"	1268.432768	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+ACN+Na"	64.015768
"1237376"	666.224268	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+ACN+Na"	64.015768
"1725900"	666.247793	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+NH4+HCOOH"	64.039293
"1190527"	223.725384666667	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+3Na"	68.967654
"1659324"	671.203188	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Na+HCOOH"	68.994688
"167642"	1281.33604	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+2K-H"	76.91904
"607200"	1883.54454	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+2K-H"	76.91904
"1091347"	679.12754	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2K-H"	76.91904
"153999"	641.171658	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"2M+2K"	77.926316
"591005"	942.275908	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"3M+2K"	77.926316
"1080255"	340.067408	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2K"	77.926316
"1106538"	681.142092	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2K+H"	78.933592
"1337823"	681.229707	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+DMSO+H"	79.021207
"1005902"	685.268876	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2ACN+H"	83.060376
"1527397"	686.262508	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+IsoProp+Na+H"	84.054008
"997126"	343.138076	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+2ACN+2H"	84.067652
"1594912"	687.177128	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+K+HCOOH"	84.968628
"1424947"	717.208638	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+H+CF3COOH"	115.000138
"1161682"	363.651351	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+3ACN+2H"	125.094202
"1710255"	734.235185	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+NH4+CF3COOH"	132.026685
"1642625"	739.19058	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+Na+CF3COOH"	136.98208
"1582652"	755.16452	"C05928"	"(6R)-10-Formyltetrahydropteroyldiglutamate;10-Formyl-THF-L-glutamate;(6R)-10-HCO-H4PteGlu2"	"C25H30N8O10"	"602.2085"	"M+K+CF3COOH"	152.95602
"806456"	247.0692	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M"	0
"975037"	228.05081	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-H2O-H"	-19.01839
"67139"	163.705524	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M-3H"	-3.021828
"505605"	246.061924	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M-3H"	-3.021828
"883407"	81.349124	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-3H"	-3.021828
"1983"	246.061924	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M-2H"	-2.014552
"443731"	369.596524	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M-2H"	-2.014552
"820438"	122.527324	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-2H"	-2.014552
"79943"	493.131124	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M-H"	-1.007276
"519379"	740.200324	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M-H"	-1.007276
"901075"	246.061924	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-H"	-1.007276
"49738"	510.157671	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M-2H+NH4"	16.019271
"493919"	757.226871	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M-2H+NH4"	16.019271
"869532"	263.088471	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-2H+NH4"	16.019271
"40714"	515.113066	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M-2H+Na"	20.974666
"481734"	762.182266	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M-2H+Na"	20.974666
"860995"	268.043866	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-2H+Na"	20.974666
"1630896"	268.043866	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Na-2H"	20.974666
"104872"	264.050263	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M-H+Cl"	33.962126
"542609"	387.584863	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M-H+Cl"	33.962126
"936124"	140.515663	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-H+Cl"	33.962126
"274681"	529.107802	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+Cl"	34.969402
"673663"	776.177002	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+Cl"	34.969402
"1288357"	282.038602	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Cl"	34.969402
"24254"	531.087006	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M-2H+K"	36.948606
"461628"	778.156206	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M-2H+K"	36.948606
"837241"	284.017806	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-2H+K"	36.948606
"1562917"	284.017806	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+K-2H"	36.948606
"946428"	292.067394	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-H+HCOOH"	44.998194
"367922"	539.136601	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+HCOOH-H"	44.998201
"351805"	553.152251	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+Hac-H"	59.013851
"1500637"	306.083051	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Hac-H"	59.013851
"963808"	314.049351	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-H+NaCOOH"	66.980151
"113813"	282.038602	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+2Cl"	69.938804
"550934"	405.573202	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+2Cl"	69.938804
"1025450"	158.504002	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2Cl"	69.938804
"1243934"	325.988085	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Br"	78.918885
"1308568"	328.044072	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Cl+HCOOH"	80.974872
"1323877"	350.026029	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Cl+NaCOOH"	102.956829
"916031"	360.054786	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M-H+CF3COOH"	112.985586
"1294930"	396.031464	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Cl+CF3COOH"	148.962264
"1378562"	212.056524	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H-2H2O"	-35.012676
"1393870"	230.0665	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H-H2O"	-17.0027
"289185"	495.145676	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+H"	1.007276
"684887"	742.214876	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+H"	1.007276
"1361236"	248.076476	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H"	1.007276
"129022"	248.076476	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+2H"	2.014552
"574781"	371.611076	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+2H"	2.014552
"1051600"	124.541876	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2H"	2.014552
"217314"	165.720076	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+3H"	3.021828
"653227"	248.076476	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+3H"	3.021828
"1171352"	83.363676	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+3H"	3.021828
"428428"	512.172223	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+NH4"	18.033823
"790519"	759.241423	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+NH4"	18.033823
"1687580"	265.103023	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+NH4"	18.033823
"332576"	256.5897495	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+H+NH4"	19.041099
"726455"	380.1243495	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+H+NH4"	19.041099
"1482100"	133.0551495	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H+NH4"	19.041099
"398592"	517.127618	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+Na"	22.989218
"759589"	764.196818	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+Na"	22.989218
"1609878"	270.058418	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Na"	22.989218
"325382"	259.067447	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+H+Na"	23.996494
"716715"	382.602047	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+H+Na"	23.996494
"1474912"	135.532847	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H+Na"	23.996494
"1060502"	90.69099	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2H+Na"	25.00377
"1270928"	280.102686	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+CH3OH+H"	33.033486
"390602"	533.101558	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+K"	38.963158
"748312"	780.170758	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+K"	38.963158
"1554380"	286.032358	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+K"	38.963158
"310824"	267.054417	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+H+K"	39.970434
"706979"	390.589017	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+H+K"	39.970434
"1452694"	143.519817	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H+K"	39.970434
"243481"	536.172226	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+ACN+H"	42.033826
"1216191"	289.103026	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+ACN+H"	42.033826
"1196794"	145.055151	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+ACN+2H"	43.041102
"192945"	539.10956	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+2Na-H"	44.97116
"629707"	786.17876	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+2Na-H"	44.97116
"1132727"	292.04036	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2Na-H"	44.97116
"174928"	270.058418	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+2Na"	45.978436
"613753"	393.593018	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+2Na"	45.978436
"1127474"	146.523818	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2Na"	45.978436
"1413318"	98.018304	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H+2Na"	46.985712
"1445273"	294.081946	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H+HCOOH"	47.012746
"235014"	275.09144	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+3H2O+2H"	56.04448
"1522222"	308.13399	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+IsoProp+H"	61.06479
"423118"	278.045388	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+Na+K"	61.952376
"783022"	401.579988	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+Na+K"	61.952376
"1673885"	154.510788	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Na+K"	61.952376
"265145"	558.154168	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+ACN+Na"	64.015768
"1237489"	311.084968	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+ACN+Na"	64.015768
"1724915"	311.108493	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+NH4+HCOOH"	64.039293
"1192094"	105.345618	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+3Na"	68.967654
"1661625"	316.063888	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Na+HCOOH"	68.994688
"167752"	571.05744	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+2K-H"	76.91904
"605851"	818.12664	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+2K-H"	76.91904
"1091457"	323.98824	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2K-H"	76.91904
"150460"	286.032358	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"2M+2K"	77.926316
"590021"	409.566958	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"3M+2K"	77.926316
"1073440"	162.497758	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2K"	77.926316
"1109929"	326.002792	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2K+H"	78.933592
"1343033"	326.090407	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+DMSO+H"	79.021207
"1014851"	330.129576	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2ACN+H"	83.060376
"1534068"	331.123208	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+IsoProp+Na+H"	84.054008
"1004412"	165.568426	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+2ACN+2H"	84.067652
"1600494"	332.037828	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+K+HCOOH"	84.968628
"1422874"	362.069338	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+H+CF3COOH"	115.000138
"1158630"	186.081701	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+3ACN+2H"	125.094202
"1703806"	379.095885	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+NH4+CF3COOH"	132.026685
"1643833"	384.05128	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+Na+CF3COOH"	136.98208
"1582763"	400.02522	"C05931"	"N-Succinyl-L-glutamate;(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid"	"C9H13NO7"	"247.0692"	"M+K+CF3COOH"	152.95602
"806567"	231.0743	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M"	0
"975357"	212.05591	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-H2O-H"	-19.01839
"68342"	153.042257333333	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M-3H"	-3.021828
"506807"	230.067024	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M-3H"	-3.021828
"884610"	76.0174906666667	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-3H"	-3.021828
"997"	230.067024	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M-2H"	-2.014552
"442017"	345.604174	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M-2H"	-2.014552
"821641"	114.529874	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-2H"	-2.014552
"78998"	461.141324	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M-H"	-1.007276
"519735"	692.215624	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M-H"	-1.007276
"899726"	230.067024	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-H"	-1.007276
"51186"	478.167871	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M-2H+NH4"	16.019271
"496945"	709.242171	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M-2H+NH4"	16.019271
"871830"	247.093571	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-2H+NH4"	16.019271
"40824"	483.123266	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M-2H+Na"	20.974666
"481844"	714.197566	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M-2H+Na"	20.974666
"857096"	252.048966	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-2H+Na"	20.974666
"1633480"	252.048966	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Na-2H"	20.974666
"108263"	248.055363	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M-H+Cl"	33.962126
"542719"	363.592513	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M-H+Cl"	33.962126
"929674"	132.518213	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-H+Cl"	33.962126
"271511"	497.118002	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+Cl"	34.969402
"668306"	728.192302	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+Cl"	34.969402
"1281802"	266.043702	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Cl"	34.969402
"25457"	499.097206	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M-2H+K"	36.948606
"465018"	730.171506	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M-2H+K"	36.948606
"842818"	268.022906	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-2H+K"	36.948606
"1561933"	268.022906	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+K-2H"	36.948606
"949816"	276.072494	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-H+HCOOH"	44.998194
"370220"	507.146801	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+HCOOH-H"	44.998201
"354104"	521.162451	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+Hac-H"	59.013851
"1499654"	290.088151	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Hac-H"	59.013851
"963915"	298.054451	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-H+NaCOOH"	66.980151
"115014"	266.043702	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+2Cl"	69.938804
"551294"	381.580852	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+2Cl"	69.938804
"1022401"	150.506552	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2Cl"	69.938804
"1249514"	309.993185	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Br"	78.918885
"1306854"	312.049172	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Cl+HCOOH"	80.974872
"1321436"	334.031129	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Cl+NaCOOH"	102.956829
"913955"	344.059886	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M-H+CF3COOH"	112.985586
"1295040"	380.036564	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Cl+CF3COOH"	148.962264
"1376485"	196.061624	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H-2H2O"	-35.012676
"1393980"	214.0716	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H-H2O"	-17.0027
"290388"	463.155876	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+H"	1.007276
"682811"	694.230176	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+H"	1.007276
"1361348"	232.081576	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H"	1.007276
"137519"	232.081576	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+2H"	2.014552
"574891"	347.618726	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+2H"	2.014552
"1049158"	116.544426	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2H"	2.014552
"218151"	155.056809333333	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+3H"	3.021828
"653337"	232.081576	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+3H"	3.021828
"1171462"	78.0320426666667	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+3H"	3.021828
"428174"	480.182423	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+NH4"	18.033823
"788441"	711.256723	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+NH4"	18.033823
"1685504"	249.108123	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+NH4"	18.033823
"331955"	240.5948495	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+H+NH4"	19.041099
"726565"	356.1319995	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+H+NH4"	19.041099
"1481116"	125.0576995	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H+NH4"	19.041099
"398706"	485.137818	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+Na"	22.989218
"767355"	716.212118	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+Na"	22.989218
"1607798"	254.063518	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Na"	22.989218
"323306"	243.072547	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+H+Na"	23.996494
"717917"	358.609697	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+H+Na"	23.996494
"1475021"	127.535397	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H+Na"	23.996494
"1066079"	85.3593566666667	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2H+Na"	25.00377
"1270310"	264.107786	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+CH3OH+H"	33.033486
"391439"	501.111758	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+K"	38.963158
"748422"	732.186058	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+K"	38.963158
"1555220"	270.037458	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+K"	38.963158
"310570"	251.059517	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+H+K"	39.970434
"706479"	366.596667	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+H+K"	39.970434
"1455719"	135.522367	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H+K"	39.970434
"243591"	504.182426	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+ACN+H"	42.033826
"1216301"	273.108126	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+ACN+H"	42.033826
"1199454"	137.057701	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+ACN+2H"	43.041102
"192690"	507.11976	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+2Na-H"	44.97116
"629453"	738.19406	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+2Na-H"	44.97116
"1135024"	276.04546	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2Na-H"	44.97116
"176494"	254.063518	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+2Na"	45.978436
"613741"	369.600668	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+2Na"	45.978436
"1127584"	138.526368	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2Na"	45.978436
"1413916"	92.6866706666667	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H+2Na"	46.985712
"1445422"	278.087046	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H+HCOOH"	47.012746
"235239"	259.09654	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+3H2O+2H"	56.04448
"1522826"	292.13909	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+IsoProp+H"	61.06479
"423838"	262.050488	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+Na+K"	61.952376
"785400"	377.587638	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+Na+K"	61.952376
"1675089"	146.513338	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Na+K"	61.952376
"264163"	526.164368	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+ACN+Na"	64.015768
"1239058"	295.090068	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+ACN+Na"	64.015768
"1725754"	295.113593	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+NH4+HCOOH"	64.039293
"1192568"	100.013984666667	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+3Na"	68.967654
"1663192"	300.068988	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Na+HCOOH"	68.994688
"171146"	539.06764	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+2K-H"	76.91904
"608515"	770.14194	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+2K-H"	76.91904
"1093754"	307.99334	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2K-H"	76.91904
"150571"	270.037458	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"2M+2K"	77.926316
"589039"	385.574608	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"3M+2K"	77.926316
"1073552"	154.500308	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2K"	77.926316
"1110040"	310.007892	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2K+H"	78.933592
"1344237"	310.095507	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+DMSO+H"	79.021207
"1009486"	314.134676	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2ACN+H"	83.060376
"1534178"	315.128308	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+IsoProp+Na+H"	84.054008
"1005499"	157.570976	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+2ACN+2H"	84.067652
"1601576"	316.042928	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+K+HCOOH"	84.968628
"1428451"	346.074438	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+H+CF3COOH"	115.000138
"1161657"	178.084251	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+3ACN+2H"	125.094202
"1705009"	363.100985	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+NH4+CF3COOH"	132.026685
"1638475"	368.05638	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+Na+CF3COOH"	136.98208
"1582873"	384.03032	"C05932"	"N-Succinyl-L-glutamate 5-semialdehyde;(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid"	"C9H13NO6"	"231.0743"	"M+K+CF3COOH"	152.95602
"803396"	190.1066	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M"	0
"974413"	171.08821	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H2O-H"	-19.01839
"67359"	125.730457333333	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-3H"	-3.021828
"506917"	189.099324	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-3H"	-3.021828
"883627"	62.3615906666667	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-3H"	-3.021828
"1109"	189.099324	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H"	-2.014552
"442857"	284.152624	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H"	-2.014552
"823939"	94.046024	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H"	-2.014552
"78703"	379.205924	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-H"	-1.007276
"520212"	569.312524	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-H"	-1.007276
"901296"	189.099324	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H"	-1.007276
"51297"	396.232471	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+NH4"	16.019271
"499972"	586.339071	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+NH4"	16.019271
"871940"	206.125871	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+NH4"	16.019271
"44219"	401.187866	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+Na"	20.974666
"481591"	591.294466	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+Na"	20.974666
"859393"	211.081266	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+Na"	20.974666
"1632210"	211.081266	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na-2H"	20.974666
"107646"	207.087663	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-H+Cl"	33.962126
"545019"	302.140963	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-H+Cl"	33.962126
"939627"	112.034363	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+Cl"	33.962126
"277091"	415.182602	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Cl"	34.969402
"673521"	605.289202	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Cl"	34.969402
"1284101"	225.076002	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl"	34.969402
"24474"	417.161806	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+K"	36.948606
"465128"	607.268406	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+K"	36.948606
"844024"	227.055206	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+K"	36.948606
"1560950"	227.055206	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K-2H"	36.948606
"948833"	235.104794	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+HCOOH"	44.998194
"370330"	425.211401	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+HCOOH-H"	44.998201
"352029"	439.227051	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Hac-H"	59.013851
"1501955"	249.120451	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Hac-H"	59.013851
"964028"	257.086751	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+NaCOOH"	66.980151
"116219"	225.076002	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Cl"	69.938804
"554686"	320.129302	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Cl"	69.938804
"1022390"	130.022702	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Cl"	69.938804
"1248530"	269.025485	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Br"	78.918885
"1314258"	271.081472	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+HCOOH"	80.974872
"1321181"	293.063429	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+NaCOOH"	102.956829
"917347"	303.092186	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+CF3COOH"	112.985586
"1295150"	339.068864	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+CF3COOH"	148.962264
"1379874"	155.093924	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H-2H2O"	-35.012676
"1394089"	173.1039	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H-H2O"	-17.0027
"290498"	381.220476	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H"	1.007276
"681828"	571.327076	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H"	1.007276
"1360364"	191.113876	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H"	1.007276
"134348"	191.113876	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2H"	2.014552
"575001"	286.167176	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2H"	2.014552
"1043800"	96.060576	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2H"	2.014552
"211701"	127.745009333333	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+3H"	3.021828
"653447"	191.113876	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+3H"	3.021828
"1170479"	64.3761426666667	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3H"	3.021828
"429377"	398.247023	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+NH4"	18.033823
"787458"	588.353623	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+NH4"	18.033823
"1682084"	208.140423	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4"	18.033823
"330609"	199.6271495	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+NH4"	19.041099
"725947"	294.6804495	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+NH4"	19.041099
"1486700"	104.5738495	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+NH4"	19.041099
"403192"	403.202418	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Na"	22.989218
"764186"	593.309018	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Na"	22.989218
"1606816"	213.095818	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na"	22.989218
"325239"	202.104847	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+Na"	23.996494
"718765"	297.158147	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+Na"	23.996494
"1472946"	107.051547	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+Na"	23.996494
"1064373"	71.7034566666667	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2H+Na"	25.00377
"1270060"	223.140086	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+CH3OH+H"	33.033486
"390093"	419.176358	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+K"	38.963158
"749262"	609.282958	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+K"	38.963158
"1554600"	229.069758	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K"	38.963158
"311408"	210.091817	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+K"	39.970434
"706713"	305.145117	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+K"	39.970434
"1455100"	115.038517	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+K"	39.970434
"243701"	422.247026	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+H"	42.033826
"1215317"	232.140426	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+H"	42.033826
"1199198"	116.573851	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+2H"	43.041102
"192071"	425.18436	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Na-H"	44.97116
"628794"	615.29096	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Na-H"	44.97116
"1133676"	235.07776	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Na-H"	44.97116
"175148"	213.095818	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Na"	45.978436
"613245"	308.149118	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Na"	45.978436
"1127694"	118.042518	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Na"	45.978436
"1413374"	79.0307706666667	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+2Na"	46.985712
"1444436"	237.119346	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+HCOOH"	47.012746
"234497"	218.12884	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+3H2O+2H"	56.04448
"1524132"	251.17139	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+H"	61.06479
"424117"	221.082788	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Na+K"	61.952376
"785593"	316.136088	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Na+K"	61.952376
"1678478"	126.029488	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+K"	61.952376
"264637"	444.228968	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+Na"	64.015768
"1240261"	254.122368	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+Na"	64.015768
"1726230"	254.145893	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4+HCOOH"	64.039293
"1192678"	86.3580846666667	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3Na"	68.967654
"1662572"	259.101288	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+HCOOH"	68.994688
"170527"	457.13224	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2K-H"	76.91904
"608989"	647.23884	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2K-H"	76.91904
"1093500"	267.02564	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K-H"	76.91904
"150682"	229.069758	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2K"	77.926316
"592064"	324.123058	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2K"	77.926316
"1072569"	134.016458	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K"	77.926316
"1110150"	269.040192	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K+H"	78.933592
"1344347"	269.127807	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+DMSO+H"	79.021207
"1011784"	273.166976	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+H"	83.060376
"1528821"	274.160608	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+Na+H"	84.054008
"1004631"	137.087126	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+2H"	84.067652
"1598527"	275.075228	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K+HCOOH"	84.968628
"1427468"	305.106738	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+CF3COOH"	115.000138
"1158849"	157.600401	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3ACN+2H"	125.094202
"1705119"	322.133285	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4+CF3COOH"	132.026685
"1639677"	327.08868	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+CF3COOH"	136.98208
"1582983"	343.06262	"C05933"	"N(omega)-Hydroxyarginine;N(omega)-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K+CF3COOH"	152.95602
"816589"	129.079	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M"	0
"983601"	110.06061	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-H2O-H"	-19.01839
"67469"	85.0453906666667	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M-3H"	-3.021828
"510312"	128.071724	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M-3H"	-3.021828
"885926"	42.0190573333333	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-3H"	-3.021828
"4501"	128.071724	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M-2H"	-2.014552
"449529"	192.611224	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M-2H"	-2.014552
"821863"	63.532224	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-2H"	-2.014552
"81854"	257.150724	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M-H"	-1.007276
"529437"	386.229724	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M-H"	-1.007276
"910160"	128.071724	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-H"	-1.007276
"62353"	274.177271	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M-2H+NH4"	16.019271
"502733"	403.256271	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M-2H+NH4"	16.019271
"878009"	145.098271	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-2H+NH4"	16.019271
"46652"	279.132666	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M-2H+Na"	20.974666
"486456"	408.211666	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M-2H+Na"	20.974666
"863887"	150.053666	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-2H+Na"	20.974666
"1631227"	150.053666	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Na-2H"	20.974666
"108122"	146.060063	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M-H+Cl"	33.962126
"548411"	210.599563	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M-H+Cl"	33.962126
"941440"	81.520563	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-H+Cl"	33.962126
"282066"	293.127402	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+Cl"	34.969402
"672783"	422.206402	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+Cl"	34.969402
"1286280"	164.048402	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Cl"	34.969402
"27864"	295.106606	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M-2H+K"	36.948606
"469736"	424.185606	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M-2H+K"	36.948606
"843040"	166.027606	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-2H+K"	36.948606
"1563248"	166.027606	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+K-2H"	36.948606
"945663"	174.077194	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-H+HCOOH"	44.998194
"367161"	303.156201	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+HCOOH-H"	44.998201
"353236"	317.171851	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+Hac-H"	59.013851
"1502797"	188.092851	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Hac-H"	59.013851
"968514"	196.059151	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-H+NaCOOH"	66.980151
"118514"	164.048402	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+2Cl"	69.938804
"561356"	228.587902	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+2Cl"	69.938804
"1031249"	99.508902	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2Cl"	69.938804
"1255202"	207.997885	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Br"	78.918885
"1312182"	210.053872	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Cl+HCOOH"	80.974872
"1331867"	232.035829	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Cl+NaCOOH"	102.956829
"925114"	242.064586	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M-H+CF3COOH"	112.985586
"1295262"	278.041264	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Cl+CF3COOH"	148.962264
"1374516"	94.066324	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H-2H2O"	-35.012676
"1387640"	112.0763	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H-H2O"	-17.0027
"291701"	259.165276	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+H"	1.007276
"687404"	388.244276	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+H"	1.007276
"1358286"	130.086276	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H"	1.007276
"134457"	130.086276	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+2H"	2.014552
"575111"	194.625776	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+2H"	2.014552
"1043910"	65.546776	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2H"	2.014552
"211810"	87.0599426666667	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+3H"	3.021828
"650276"	130.086276	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+3H"	3.021828
"1171680"	44.0336093333333	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+3H"	3.021828
"431674"	276.191823	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+NH4"	18.033823
"787203"	405.270823	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+NH4"	18.033823
"1682440"	147.112823	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+NH4"	18.033823
"335096"	138.5995495	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+H+NH4"	19.041099
"728611"	203.1390495	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+H+NH4"	19.041099
"1490820"	74.0600495	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H+NH4"	19.041099
"401116"	281.147218	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+Na"	22.989218
"763203"	410.226218	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+Na"	22.989218
"1606926"	152.068218	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Na"	22.989218
"323526"	141.077247	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+H+Na"	23.996494
"719235"	205.616747	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+H+Na"	23.996494
"1476225"	76.537747	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H+Na"	23.996494
"1067408"	51.3609233333333	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2H+Na"	25.00377
"1272572"	162.112486	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+CH3OH+H"	33.033486
"392275"	297.121158	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+K"	38.963158
"751559"	426.200158	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+K"	38.963158
"1554589"	168.042158	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+K"	38.963158
"312735"	149.064217	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+H+K"	39.970434
"706505"	213.603717	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+H+K"	39.970434
"1456304"	84.524717	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H+K"	39.970434
"244905"	300.191826	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+ACN+H"	42.033826
"1213603"	171.112826	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+ACN+H"	42.033826
"1198218"	86.060051	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+ACN+2H"	43.041102
"190479"	303.12916	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+2Na-H"	44.97116
"632836"	432.20816	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+2Na-H"	44.97116
"1135250"	174.05016	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2Na-H"	44.97116
"176353"	152.068218	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+2Na"	45.978436
"614454"	216.607718	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+2Na"	45.978436
"1130364"	87.528718	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2Na"	45.978436
"1412801"	58.6882373333333	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H+2Na"	46.985712
"1444914"	176.091746	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H+HCOOH"	47.012746
"235426"	157.10124	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+3H2O+2H"	56.04448
"1523975"	190.14379	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+IsoProp+H"	61.06479
"423086"	160.055188	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+Na+K"	61.952376
"784445"	224.594688	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+Na+K"	61.952376
"1676770"	95.515688	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Na+K"	61.952376
"264384"	322.173768	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+ACN+Na"	64.015768
"1239280"	193.094768	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+ACN+Na"	64.015768
"1727435"	193.118293	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+NH4+HCOOH"	64.039293
"1193035"	66.0155513333333	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+3Na"	68.967654
"1663413"	198.073688	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Na+HCOOH"	68.994688
"171854"	335.07704	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+2K-H"	76.91904
"609467"	464.15604	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+2K-H"	76.91904
"1097989"	205.99804	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2K-H"	76.91904
"156142"	168.042158	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"2M+2K"	77.926316
"594364"	232.581658	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"3M+2K"	77.926316
"1079241"	103.502658	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2K"	77.926316
"1112814"	208.012592	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2K+H"	78.933592
"1345554"	208.100207	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+DMSO+H"	79.021207
"1007645"	212.139376	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2ACN+H"	83.060376
"1527837"	213.133008	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+IsoProp+Na+H"	84.054008
"991613"	106.573326	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+2ACN+2H"	84.067652
"1592075"	214.047628	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+K+HCOOH"	84.968628
"1426485"	244.079138	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+H+CF3COOH"	115.000138
"1157867"	127.086601	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+3ACN+2H"	125.094202
"1708511"	261.105685	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+NH4+CF3COOH"	132.026685
"1641976"	266.06108	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+Na+CF3COOH"	136.98208
"1583093"	282.03502	"C05936"	"N4-Acetylaminobutanal;4-Acetamidobutanal"	"C6H11NO2"	"129.079"	"M+K+CF3COOH"	152.95602
"803616"	147.0532	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M"	0
"974997"	128.03481	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"67579"	97.0281906666667	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"507142"	146.045924	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"886036"	48.0104573333333	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"3517"	146.045924	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"441008"	219.572524	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"818691"	72.519324	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"79410"	293.099124	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"526995"	440.152324	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"909663"	146.045924	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"61491"	310.125671	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"501899"	457.178871	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"878119"	163.072471	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"46842"	315.081066	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"486809"	462.134266	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"863145"	168.027866	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1631703"	168.027866	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"106775"	164.034263	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"547428"	237.560863	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"940579"	90.507663	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"280839"	329.075802	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"673014"	476.129002	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1285418"	182.022602	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"21413"	331.055006	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"467536"	478.108206	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"843150"	184.001806	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1565545"	184.001806	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"945774"	192.051394	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"366177"	339.104601	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"348970"	353.120251	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1501084"	206.067051	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"968624"	214.033351	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"118624"	182.022602	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"561466"	255.549202	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1025890"	108.496002	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1245466"	225.972085	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1312292"	228.028072	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1331977"	250.010029	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"920850"	260.038786	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1295372"	296.015464	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1369519"	112.040524	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1387750"	130.0505	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"291810"	295.113676	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"685327"	442.166876	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1361675"	148.060476	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"133470"	148.060476	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"573031"	221.587076	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1043287"	74.533876	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"210826"	99.0427426666667	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"650020"	148.060476	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1169967"	50.0250093333333	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"432878"	312.140223	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"788039"	459.193423	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1682670"	165.087023	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"331189"	156.5737495	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"723244"	230.1003495	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1480718"	83.0471495	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"401226"	317.095618	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"763313"	464.148818	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1607036"	170.042418	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"321450"	159.051447	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"719711"	232.578047	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1476457"	85.524847	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1068329"	57.3523233333333	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1272480"	180.086686	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"392512"	333.069558	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"750212"	480.122758	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1552632"	186.016358	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"312359"	167.038417	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"706654"	240.565017	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1456415"	93.511817	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"241734"	336.140226	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1212620"	189.087026	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1198329"	95.047151	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"190468"	339.07756	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"632946"	486.13076	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1135360"	192.02436	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"177556"	170.042418	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"616022"	243.569018	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1130110"	96.515818	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1413277"	64.6796373333333	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1444782"	194.065946	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"235416"	175.07544	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1523760"	208.11799	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"423564"	178.029388	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"783827"	251.555988	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1679067"	104.502788	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"265223"	358.122168	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1240118"	211.068968	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1727180"	211.092493	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1192903"	72.0069513333333	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1664130"	216.047888	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"171722"	371.02544	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"611035"	518.07864	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1097735"	223.97224	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"155523"	186.016358	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"594109"	259.542958	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1080444"	112.489758	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1110735"	225.986792	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1344569"	226.074407	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1008727"	230.113576	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1527946"	231.107208	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"991359"	115.560426	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1592185"	232.021828	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1424408"	262.053338	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1157976"	136.073701	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1708621"	279.079885	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1644273"	284.03528	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1583203"	300.00922	"C05938"	"L-4-Hydroxyglutamate semialdehyde"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"807007"	259.1168	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M"	0
"979444"	240.09841	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-H2O-H"	-19.01839
"67689"	171.737257333333	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M-3H"	-3.021828
"516729"	258.109524	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M-3H"	-3.021828
"888334"	85.3649906666667	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-3H"	-3.021828
"3628"	258.109524	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M-2H"	-2.014552
"446468"	387.667924	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M-2H"	-2.014552
"820988"	128.551124	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-2H"	-2.014552
"80252"	517.226324	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M-H"	-1.007276
"530385"	776.343124	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M-H"	-1.007276
"910864"	258.109524	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-H"	-1.007276
"62530"	534.252871	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M-2H+NH4"	16.019271
"502420"	793.369671	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M-2H+NH4"	16.019271
"877741"	275.136071	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-2H+NH4"	16.019271
"46635"	539.208266	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M-2H+Na"	20.974666
"486560"	798.325066	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M-2H+Na"	20.974666
"863265"	280.091466	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-2H+Na"	20.974666
"1633272"	280.091466	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Na-2H"	20.974666
"106885"	276.097863	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M-H+Cl"	33.962126
"548268"	405.656263	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M-H+Cl"	33.962126
"941417"	146.539463	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-H+Cl"	33.962126
"281072"	553.203002	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+Cl"	34.969402
"674829"	812.319802	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+Cl"	34.969402
"1286621"	294.086202	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Cl"	34.969402
"24803"	555.182206	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M-2H+K"	36.948606
"470198"	814.299006	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M-2H+K"	36.948606
"846176"	296.065406	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-2H+K"	36.948606
"1567478"	296.065406	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+K-2H"	36.948606
"950257"	304.114994	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-H+HCOOH"	44.998194
"366287"	563.231801	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+HCOOH-H"	44.998201
"353454"	577.247451	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+Hac-H"	59.013851
"1503380"	318.130651	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Hac-H"	59.013851
"969828"	326.096951	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-H+NaCOOH"	66.980151
"118734"	294.086202	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+2Cl"	69.938804
"562667"	423.644602	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+2Cl"	69.938804
"1024907"	164.527802	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2Cl"	69.938804
"1248856"	338.035685	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Br"	78.918885
"1312402"	340.091672	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Cl+HCOOH"	80.974872
"1332087"	362.073629	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Cl+NaCOOH"	102.956829
"920960"	372.102386	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M-H+CF3COOH"	112.985586
"1295482"	408.079064	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Cl+CF3COOH"	148.962264
"1370727"	224.104124	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H-2H2O"	-35.012676
"1386767"	242.1141	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H-H2O"	-17.0027
"285723"	519.240876	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+H"	1.007276
"682157"	778.357676	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+H"	1.007276
"1355225"	260.124076	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H"	1.007276
"131393"	260.124076	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+2H"	2.014552
"572047"	389.682476	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+2H"	2.014552
"1041574"	130.565676	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2H"	2.014552
"208384"	173.751809333333	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+3H"	3.021828
"649037"	260.124076	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+3H"	3.021828
"1167525"	87.3795426666667	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+3H"	3.021828
"430801"	536.267423	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+NH4"	18.033823
"788517"	795.384223	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+NH4"	18.033823
"1682414"	277.150623	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+NH4"	18.033823
"331298"	268.6373495	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+H+NH4"	19.041099
"722988"	398.1957495	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+H+NH4"	19.041099
"1480463"	139.0789495	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H+NH4"	19.041099
"401336"	541.222818	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+Na"	22.989218
"761237"	800.339618	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+Na"	22.989218
"1609332"	282.106018	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Na"	22.989218
"323747"	271.115047	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+H+Na"	23.996494
"721640"	400.673447	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+H+Na"	23.996494
"1476650"	141.556647	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H+Na"	23.996494
"1067951"	94.7068566666667	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2H+Na"	25.00377
"1272384"	292.150286	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+CH3OH+H"	33.033486
"392784"	557.196758	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+K"	38.963158
"749955"	816.313558	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+K"	38.963158
"1555054"	298.079958	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+K"	38.963158
"306999"	279.102017	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+H+K"	39.970434
"705257"	408.660417	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+H+K"	39.970434
"1456523"	149.543617	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H+K"	39.970434
"245127"	560.267426	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+ACN+H"	42.033826
"1215648"	301.150626	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+ACN+H"	42.033826
"1195762"	151.078951	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+ACN+2H"	43.041102
"191305"	563.20476	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+2Na-H"	44.97116
"631230"	822.32156	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+2Na-H"	44.97116
"1132911"	304.08796	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2Na-H"	44.97116
"176571"	282.106018	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+2Na"	45.978436
"615402"	411.664418	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+2Na"	45.978436
"1129856"	152.547618	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2Na"	45.978436
"1412779"	102.034170666667	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H+2Na"	46.985712
"1444773"	306.129546	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H+HCOOH"	47.012746
"235080"	287.13904	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+3H2O+2H"	56.04448
"1522535"	320.18159	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+IsoProp+H"	61.06479
"424165"	290.092988	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+Na+K"	61.952376
"784668"	419.651388	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+Na+K"	61.952376
"1680274"	160.534588	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Na+K"	61.952376
"265945"	582.249368	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+ACN+Na"	64.015768
"1239744"	323.132568	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+ACN+Na"	64.015768
"1728111"	323.156093	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+NH4+HCOOH"	64.039293
"1193745"	109.361484666667	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+3Na"	68.967654
"1665295"	328.111488	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Na+HCOOH"	68.994688
"172325"	595.15264	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+2K-H"	76.91904
"612202"	854.26944	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+2K-H"	76.91904
"1098209"	336.03584	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2K-H"	76.91904
"156610"	298.079958	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"2M+2K"	77.926316
"594948"	427.638358	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"3M+2K"	77.926316
"1083351"	168.521558	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2K"	77.926316
"1112302"	338.050392	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2K+H"	78.933592
"1344679"	338.138007	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+DMSO+H"	79.021207
"1008838"	342.177176	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2ACN+H"	83.060376
"1531336"	343.170808	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+IsoProp+Na+H"	84.054008
"997788"	171.592226	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+2ACN+2H"	84.067652
"1595575"	344.085428	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+K+HCOOH"	84.968628
"1424518"	374.116938	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+H+CF3COOH"	115.000138
"1158086"	192.105501	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+3ACN+2H"	125.094202
"1704356"	391.143485	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+NH4+CF3COOH"	132.026685
"1641103"	396.09888	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+Na+CF3COOH"	136.98208
"1583313"	412.07282	"C05939"	"Linatine;N-(gamma-L-Glutamyl)amino-D-proline"	"C10H17N3O5"	"259.1168"	"M+K+CF3COOH"	152.95602
"803836"	147.0532	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M"	0
"975181"	128.03481	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"69986"	97.0281906666667	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"508455"	146.045924	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"888444"	48.0104573333333	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"3737"	146.045924	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"441111"	219.572524	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"818180"	72.519324	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"79996"	293.099124	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"530495"	440.152324	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"910366"	146.045924	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"62598"	310.125671	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"502122"	457.178871	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"879431"	163.072471	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"47058"	315.081066	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"487081"	462.134266	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"863664"	168.027866	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1632289"	168.027866	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"106994"	164.034263	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"548013"	237.560863	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"941527"	90.507663	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"278630"	329.075802	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"675181"	476.129002	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1281263"	182.022602	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"24913"	331.055006	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"469943"	478.108206	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"845557"	184.001806	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1566858"	184.001806	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"948181"	192.051394	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"368584"	339.104601	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"354657"	353.120251	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1505676"	206.067051	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"971031"	214.033351	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"118844"	182.022602	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"559497"	255.549202	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1025017"	108.496002	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1248965"	225.972085	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1312512"	228.028072	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1332195"	250.010029	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"917789"	260.038786	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1296685"	296.015464	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1371566"	112.040524	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1389064"	130.0505	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"287656"	295.113676	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"678987"	442.166876	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1357522"	148.060476	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"134783"	148.060476	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"572157"	221.587076	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1041684"	74.533876	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"208494"	99.0427426666667	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"648781"	148.060476	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1168000"	50.0250093333333	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"426898"	312.140223	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"793000"	459.193423	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1685685"	165.087023	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"332869"	156.5737495	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"723052"	230.1003495	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1480937"	83.0471495	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"401443"	317.095618	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"756970"	464.148818	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1604697"	170.042418	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"323854"	159.051447	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"721386"	232.578047	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1476794"	85.524847	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1068102"	57.3523233333333	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1272451"	180.086686	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"392485"	333.069558	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"750065"	480.122758	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1548840"	186.016358	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"307109"	167.038417	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"706095"	240.565017	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1456633"	93.511817	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"245237"	336.140226	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1215758"	189.087026	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1195995"	95.047151	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"190687"	339.07756	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"631705"	486.13076	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1134478"	192.02436	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"175587"	170.042418	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"615512"	243.569018	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1129598"	96.515818	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1412039"	64.6796373333333	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1444517"	194.065946	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"234821"	175.07544	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1523006"	208.11799	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"422690"	178.029388	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"783322"	251.555988	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1678196"	104.502788	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"264718"	358.122168	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1239492"	211.068968	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1727406"	211.092493	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1193123"	72.0069513333333	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1664836"	216.047888	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"171335"	371.02544	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"611619"	518.07864	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1096858"	223.97224	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"152217"	186.016358	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"594208"	259.542958	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1082123"	112.489758	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1111319"	225.986792	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1344789"	226.074407	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1012228"	230.113576	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1531447"	231.107208	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"1001179"	115.560426	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1595685"	232.021828	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1424628"	262.053338	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1158196"	136.073701	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1704466"	279.079885	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1641213"	284.03528	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1583423"	300.00922	"C05941"	"2-Oxo-4-hydroxy-5-aminovalerate"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"803946"	111.032	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M"	0
"974596"	92.01361	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-H2O-H"	-19.01839
"70096"	73.0140573333333	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M-3H"	-3.021828
"510752"	110.024724	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M-3H"	-3.021828
"885274"	36.0033906666667	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-3H"	-3.021828
"2755"	110.024724	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M-2H"	-2.014552
"440855"	165.540724	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M-2H"	-2.014552
"817479"	54.508724	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-2H"	-2.014552
"80106"	221.056724	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M-H"	-1.007276
"531577"	332.088724	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M-H"	-1.007276
"910844"	110.024724	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-H"	-1.007276
"61938"	238.083271	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M-2H+NH4"	16.019271
"502354"	349.115271	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M-2H+NH4"	16.019271
"878813"	127.051271	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-2H+NH4"	16.019271
"46936"	243.038666	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M-2H+Na"	20.974666
"486970"	354.070666	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M-2H+Na"	20.974666
"864056"	132.006666	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-2H+Na"	20.974666
"1632886"	132.006666	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Na-2H"	20.974666
"107105"	128.013063	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M-H+Cl"	33.962126
"548124"	183.529063	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M-H+Cl"	33.962126
"942004"	72.497063	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-H+Cl"	33.962126
"280562"	257.033402	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+Cl"	34.969402
"675049"	368.065402	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+Cl"	34.969402
"1283560"	146.001402	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Cl"	34.969402
"25023"	259.012606	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M-2H+K"	36.948606
"467503"	370.044606	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M-2H+K"	36.948606
"842387"	147.980606	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-2H+K"	36.948606
"1563687"	147.980606	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+K-2H"	36.948606
"948291"	156.030194	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-H+HCOOH"	44.998194
"365414"	267.062201	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+HCOOH-H"	44.998201
"354767"	281.077851	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+Hac-H"	59.013851
"1506879"	170.045851	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Hac-H"	59.013851
"971141"	178.012151	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-H+NaCOOH"	66.980151
"118954"	146.001402	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+2Cl"	69.938804
"559607"	201.517402	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+2Cl"	69.938804
"1023668"	90.485402	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2Cl"	69.938804
"1246889"	189.950885	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Br"	78.918885
"1312622"	192.006872	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Cl+HCOOH"	80.974872
"1331212"	213.988829	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Cl+NaCOOH"	102.956829
"918992"	224.017586	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M-H+CF3COOH"	112.985586
"1294608"	259.994264	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Cl+CF3COOH"	148.962264
"1368759"	76.019324	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H-2H2O"	-35.012676
"1384798"	94.0293	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H-H2O"	-17.0027
"285578"	223.071276	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+H"	1.007276
"677635"	334.103276	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+H"	1.007276
"1359818"	112.039276	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H"	1.007276
"131613"	112.039276	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+2H"	2.014552
"572267"	167.555276	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+2H"	2.014552
"1048719"	56.523276	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2H"	2.014552
"211152"	75.0286093333333	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+3H"	3.021828
"648527"	112.039276	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+3H"	3.021828
"1166651"	38.0179426666667	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+3H"	3.021828
"429922"	240.097823	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+NH4"	18.033823
"793110"	351.129823	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+NH4"	18.033823
"1684336"	129.065823	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+NH4"	18.033823
"331885"	120.5525495	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+H+NH4"	19.041099
"722963"	176.0685495	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+H+NH4"	19.041099
"1480319"	65.0365495	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H+NH4"	19.041099
"401553"	245.053218	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+Na"	22.989218
"754893"	356.085218	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+Na"	22.989218
"1604807"	134.021218	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Na"	22.989218
"315577"	123.030247	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+H+Na"	23.996494
"719673"	178.546247	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+H+Na"	23.996494
"1476173"	67.514247	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H+Na"	23.996494
"1068165"	45.3452566666667	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2H+Na"	25.00377
"1272359"	144.065486	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+CH3OH+H"	33.033486
"392811"	261.027158	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+K"	38.963158
"747988"	372.059158	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+K"	38.963158
"1548948"	149.995158	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+K"	38.963158
"302842"	131.017217	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+H+K"	39.970434
"700733"	186.533217	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+H+K"	39.970434
"1453460"	75.501217	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H+K"	39.970434
"243160"	264.097826	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+ACN+H"	42.033826
"1212588"	153.065826	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+ACN+H"	42.033826
"1196471"	77.036551	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+ACN+2H"	43.041102
"190433"	267.03516	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+2Na-H"	44.97116
"631811"	378.06716	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+2Na-H"	44.97116
"1134226"	156.00316	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2Na-H"	44.97116
"176426"	134.021218	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+2Na"	45.978436
"615987"	189.537218	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+2Na"	45.978436
"1128614"	78.505218	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2Na"	45.978436
"1412877"	52.6725706666667	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H+2Na"	46.985712
"1444627"	158.044746	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H+HCOOH"	47.012746
"235580"	139.05424	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+3H2O+2H"	56.04448
"1522385"	172.09679	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+IsoProp+H"	61.06479
"422677"	142.008188	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+Na+K"	61.952376
"783430"	197.524188	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+Na+K"	61.952376
"1679035"	86.492188	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Na+K"	61.952376
"264825"	286.079768	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+ACN+Na"	64.015768
"1238629"	175.047768	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+ACN+Na"	64.015768
"1727880"	175.071293	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+NH4+HCOOH"	64.039293
"1192503"	59.9998846666667	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+3Na"	68.967654
"1664220"	180.026688	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Na+HCOOH"	68.994688
"172417"	298.98304	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+2K-H"	76.91904
"611366"	410.01504	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+2K-H"	76.91904
"1096603"	187.95104	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2K-H"	76.91904
"154151"	149.995158	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"2M+2K"	77.926316
"594439"	205.511158	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"3M+2K"	77.926316
"1081139"	94.479158	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2K"	77.926316
"1111429"	189.965592	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2K+H"	78.933592
"1344899"	190.053207	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+DMSO+H"	79.021207
"1012338"	194.092376	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2ACN+H"	83.060376
"1532650"	195.086008	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+IsoProp+Na+H"	84.054008
"1001289"	97.549826	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+2ACN+2H"	84.067652
"1595795"	196.000628	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+K+HCOOH"	84.968628
"1421458"	226.032138	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+H+CF3COOH"	115.000138
"1159399"	118.063101	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+3ACN+2H"	125.094202
"1704576"	243.058685	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+NH4+CF3COOH"	132.026685
"1642416"	248.01408	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+Na+CF3COOH"	136.98208
"1583533"	263.98802	"C05942"	"Pyrrole-2-carboxylate"	"C5H5NO2"	"111.032"	"M+K+CF3COOH"	152.95602
"804420"	205.1314	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M"	0
"976128"	186.11301	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-H2O-H"	-19.01839
"68019"	135.746990666667	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M-3H"	-3.021828
"514142"	204.124124	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M-3H"	-3.021828
"885384"	67.3698573333333	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-3H"	-3.021828
"2865"	204.124124	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M-2H"	-2.014552
"441330"	306.689824	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M-2H"	-2.014552
"824598"	101.558424	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-2H"	-2.014552
"80945"	409.255524	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M-H"	-1.007276
"521966"	614.386924	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M-H"	-1.007276
"910837"	204.124124	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-H"	-1.007276
"61929"	426.282071	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M-2H+NH4"	16.019271
"502510"	631.413471	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M-2H+NH4"	16.019271
"878562"	221.150671	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-2H+NH4"	16.019271
"46476"	431.237466	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M-2H+Na"	20.974666
"486520"	636.368866	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M-2H+Na"	20.974666
"862492"	226.106066	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-2H+Na"	20.974666
"1632875"	226.106066	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Na-2H"	20.974666
"107825"	222.112463	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M-H+Cl"	33.962126
"547867"	324.678163	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M-H+Cl"	33.962126
"941872"	119.546763	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-H+Cl"	33.962126
"279579"	445.232202	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+Cl"	34.969402
"674189"	650.363602	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+Cl"	34.969402
"1283670"	240.100802	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Cl"	34.969402
"25133"	447.211406	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M-2H+K"	36.948606
"468706"	652.342806	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M-2H+K"	36.948606
"842497"	242.080006	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-2H+K"	36.948606
"1563797"	242.080006	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+K-2H"	36.948606
"948401"	250.129594	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-H+HCOOH"	44.998194
"367711"	455.261001	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+HCOOH-H"	44.998201
"352690"	469.276651	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+Hac-H"	59.013851
"1497512"	264.145251	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Hac-H"	59.013851
"966877"	272.111551	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-H+NaCOOH"	66.980151
"114690"	240.100802	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+2Cl"	69.938804
"556437"	342.666502	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+2Cl"	69.938804
"1025237"	137.535102	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2Cl"	69.938804
"1248093"	284.050285	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Br"	78.918885
"1311639"	286.106272	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Cl+HCOOH"	80.974872
"1330229"	308.088229	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Cl+NaCOOH"	102.956829
"919102"	318.116986	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M-H+CF3COOH"	112.985586
"1293625"	354.093664	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Cl+CF3COOH"	148.962264
"1368869"	170.118724	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H-2H2O"	-35.012676
"1383815"	188.1287	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H-H2O"	-17.0027
"285688"	411.270076	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+H"	1.007276
"676651"	616.401476	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+H"	1.007276
"1361021"	206.138676	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H"	1.007276
"136097"	206.138676	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+2H"	2.014552
"571284"	308.704376	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+2H"	2.014552
"1049924"	103.572976	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2H"	2.014552
"212357"	137.761542666667	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+3H"	3.021828
"651189"	206.138676	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+3H"	3.021828
"1170043"	69.3844093333333	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+3H"	3.021828
"431126"	428.296623	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+NH4"	18.033823
"791762"	633.428023	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+NH4"	18.033823
"1684081"	223.165223	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+NH4"	18.033823
"332725"	214.6519495	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+H+NH4"	19.041099
"724417"	317.2176495	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+H+NH4"	19.041099
"1480429"	112.0862495	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H+NH4"	19.041099
"402756"	433.252018	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+Na"	22.989218
"759376"	638.383418	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+Na"	22.989218
"1603824"	228.120618	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Na"	22.989218
"316416"	217.129647	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+H+Na"	23.996494
"715408"	319.695347	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+H+Na"	23.996494
"1472883"	114.563947	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H+Na"	23.996494
"1065887"	76.7117233333333	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2H+Na"	25.00377
"1271210"	238.164886	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+CH3OH+H"	33.033486
"391605"	449.225958	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+K"	38.963158
"751016"	654.357358	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+K"	38.963158
"1545778"	244.094558	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+K"	38.963158
"306235"	225.116617	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+H+K"	39.970434
"697563"	327.682317	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+H+K"	39.970434
"1457584"	122.550917	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H+K"	39.970434
"247640"	452.296626	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+ACN+H"	42.033826
"1212698"	247.165226	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+ACN+H"	42.033826
"1196582"	124.086251	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+ACN+2H"	43.041102
"189572"	455.23396	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+2Na-H"	44.97116
"633382"	660.36536	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+2Na-H"	44.97116
"1135799"	250.10256	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2Na-H"	44.97116
"176902"	228.120618	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+2Na"	45.978436
"621932"	330.686318	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+2Na"	45.978436
"1129089"	125.554918	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2Na"	45.978436
"1411168"	84.0390373333333	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H+2Na"	46.985712
"1442914"	252.144146	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H+HCOOH"	47.012746
"234560"	233.15364	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+3H2O+2H"	56.04448
"1523350"	266.19619	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+IsoProp+H"	61.06479
"423276"	236.107588	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+Na+K"	61.952376
"784634"	338.673288	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+Na+K"	61.952376
"1679872"	133.541888	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Na+K"	61.952376
"266392"	474.278568	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+ACN+Na"	64.015768
"1239830"	269.147168	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+ACN+Na"	64.015768
"1726898"	269.170693	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+NH4+HCOOH"	64.039293
"1193869"	91.3663513333333	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+3Na"	68.967654
"1665341"	274.126088	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Na+HCOOH"	68.994688
"172525"	487.18184	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+2K-H"	76.91904
"612333"	692.31324	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+2K-H"	76.91904
"1098904"	282.05044	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2K-H"	76.91904
"154990"	244.094558	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"2M+2K"	77.926316
"595885"	346.660258	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"3M+2K"	77.926316
"1082705"	141.528858	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2K"	77.926316
"1108623"	284.064992	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2K+H"	78.933592
"1342822"	284.152607	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+DMSO+H"	79.021207
"1012448"	288.191776	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2ACN+H"	83.060376
"1529480"	289.185408	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+IsoProp+Na+H"	84.054008
"1001399"	144.599526	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+2ACN+2H"	84.067652
"1598093"	290.100028	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+K+HCOOH"	84.968628
"1424848"	320.131538	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+H+CF3COOH"	115.000138
"1159509"	165.112801	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+3ACN+2H"	125.094202
"1707966"	337.158085	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+NH4+CF3COOH"	132.026685
"1642526"	342.11348	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+Na+CF3COOH"	136.98208
"1583643"	358.08742	"C05944"	"Pantothenol;(R)-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;Dexpanthenol;24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutanamide;()-Panthenol;Bepanthen;Bepanthene;Bepantol;D-()-24-Dihydroxy-N-(3-hydroxypropyl)-33-dimethylbutyramide;Cozyme;D()-Panthenol;D()-Pantothenyl alcohol;D-P-A Injection;D-Panthenol;d-Pantothenol;d-Pantothenyl alcohol;Ilopan;Motilyn;Panadon;Panthenol;Panthoderm;Pantol;Pantothenyl alcohol;N-Pantoyl-propanolamine;Provitamin B;Synapan;Thenalton;Zentinic"	"C9H19NO4"	"205.1314"	"M+K+CF3COOH"	152.95602
"804166"	254.078	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M"	0
"974371"	235.05961	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-H2O-H"	-19.01839
"67036"	168.378057333333	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M-3H"	-3.021828
"507689"	253.070724	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M-3H"	-3.021828
"885494"	83.6853906666667	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-3H"	-3.021828
"2974"	253.070724	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M-2H"	-2.014552
"442534"	380.109724	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M-2H"	-2.014552
"824708"	126.031724	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-2H"	-2.014552
"81056"	507.148724	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M-H"	-1.007276
"522076"	761.226724	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M-H"	-1.007276
"910823"	253.070724	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-H"	-1.007276
"62366"	524.175271	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M-2H+NH4"	16.019271
"502213"	778.253271	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M-2H+NH4"	16.019271
"878913"	270.097271	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-2H+NH4"	16.019271
"46296"	529.130666	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M-2H+Na"	20.974666
"485893"	783.208666	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M-2H+Na"	20.974666
"862360"	275.052666	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-2H+Na"	20.974666
"1632258"	275.052666	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Na-2H"	20.974666
"109146"	271.059063	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M-H+Cl"	33.962126
"548707"	398.098063	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M-H+Cl"	33.962126
"940766"	144.020063	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-H+Cl"	33.962126
"281628"	543.125402	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+Cl"	34.969402
"674294"	797.203402	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+Cl"	34.969402
"1287060"	289.047402	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Cl"	34.969402
"21963"	545.104606	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M-2H+K"	36.948606
"468086"	799.182606	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M-2H+K"	36.948606
"844794"	291.026606	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-2H+K"	36.948606
"1560626"	291.026606	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+K-2H"	36.948606
"948511"	299.076194	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-H+HCOOH"	44.998194
"366728"	553.154201	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+HCOOH-H"	44.998201
"348425"	567.169851	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+Hac-H"	59.013851
"1498351"	313.091851	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Hac-H"	59.013851
"961519"	321.058151	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-H+NaCOOH"	66.980151
"112613"	289.047402	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+2Cl"	69.938804
"551078"	416.086402	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+2Cl"	69.938804
"1027531"	162.008402	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2Cl"	69.938804
"1246017"	332.996885	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Br"	78.918885
"1313935"	335.052872	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Cl+HCOOH"	80.974872
"1329245"	357.034829	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Cl+NaCOOH"	102.956829
"913380"	367.063586	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M-H+CF3COOH"	112.985586
"1294828"	403.040264	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Cl+CF3COOH"	148.962264
"1368979"	219.065324	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H-2H2O"	-35.012676
"1385018"	237.0753	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H-H2O"	-17.0027
"282905"	509.163276	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+H"	1.007276
"676639"	763.241276	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+H"	1.007276
"1356757"	255.085276	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H"	1.007276
"132927"	255.085276	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+2H"	2.014552
"570666"	382.124276	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+2H"	2.014552
"1044566"	128.046276	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2H"	2.014552
"210646"	170.392609333333	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+3H"	3.021828
"651300"	255.085276	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+3H"	3.021828
"1172340"	85.6999426666667	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+3H"	3.021828
"426862"	526.189823	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+NH4"	18.033823
"795514"	780.267823	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+NH4"	18.033823
"1690753"	272.111823	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+NH4"	18.033823
"332835"	263.5985495	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+H+NH4"	19.041099
"728172"	390.6375495	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+H+NH4"	19.041099
"1480539"	136.5595495	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H+NH4"	19.041099
"401773"	531.145218	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+Na"	22.989218
"758393"	785.223218	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+Na"	22.989218
"1603246"	277.067218	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Na"	22.989218
"317254"	266.076247	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+H+Na"	23.996494
"716611"	393.115247	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+H+Na"	23.996494
"1474450"	139.037247	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H+Na"	23.996494
"1066850"	93.0272566666667	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2H+Na"	25.00377
"1271686"	287.111486	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+CH3OH+H"	33.033486
"391842"	547.119158	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+K"	38.963158
"753841"	801.197158	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+K"	38.963158
"1544795"	293.041158	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+K"	38.963158
"306345"	274.063217	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+H+K"	39.970434
"703140"	401.102217	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+H+K"	39.970434
"1458423"	147.024217	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H+K"	39.970434
"247386"	550.189826	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+ACN+H"	42.033826
"1212807"	296.111826	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+ACN+H"	42.033826
"1197785"	148.559551	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+ACN+2H"	43.041102
"192111"	553.12716	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+2Na-H"	44.97116
"634586"	807.20516	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+2Na-H"	44.97116
"1133722"	299.04916	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2Na-H"	44.97116
"177011"	277.067218	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+2Na"	45.978436
"622770"	404.106218	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+2Na"	45.978436
"1124456"	150.028218	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2Na"	45.978436
"1406886"	100.354570666667	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H+2Na"	46.985712
"1443022"	301.090746	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H+HCOOH"	47.012746
"232359"	282.10024	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+3H2O+2H"	56.04448
"1521148"	315.14279	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+IsoProp+H"	61.06479
"422535"	285.054188	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+Na+K"	61.952376
"783285"	412.093188	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+Na+K"	61.952376
"1677791"	158.015188	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Na+K"	61.952376
"264311"	572.171768	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+ACN+Na"	64.015768
"1239573"	318.093768	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+ACN+Na"	64.015768
"1726636"	318.117293	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+NH4+HCOOH"	64.039293
"1193327"	107.681884666667	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+3Na"	68.967654
"1664923"	323.072688	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Na+HCOOH"	68.994688
"172027"	585.07504	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+2K-H"	76.91904
"612317"	839.15304	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+2K-H"	76.91904
"1098526"	330.99704	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2K-H"	76.91904
"155707"	293.041158	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"2M+2K"	77.926316
"595511"	420.080158	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"3M+2K"	77.926316
"1076620"	166.002158	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2K"	77.926316
"1111650"	333.011592	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2K+H"	78.933592
"1336613"	333.099207	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+DMSO+H"	79.021207
"1007211"	337.138376	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2ACN+H"	83.060376
"1525336"	338.132008	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+IsoProp+Na+H"	84.054008
"998229"	169.072826	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+2ACN+2H"	84.067652
"1597105"	339.046628	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+K+HCOOH"	84.968628
"1421673"	369.078138	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+H+CF3COOH"	115.000138
"1160348"	189.586101	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+3ACN+2H"	125.094202
"1708076"	386.104685	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+NH4+CF3COOH"	132.026685
"1642636"	391.06008	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+Na+CF3COOH"	136.98208
"1583753"	407.03402	"C05945"	"L-Arginine phosphate;N5-Imino(phosphonoamino)methylL-ornithine;omega-N-Phosphoarginine;Arginine phosphate;L-Arginine-NG-phosphoric acid;Phosphoarginine A;N-Phospho-L-arginine;N(omega)-Phospho-L-arginine;Phosphoarginine"	"C6H15N4O5P"	"254.078"	"M+K+CF3COOH"	152.95602
"807556"	162.0164	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M"	0
"974525"	142.99801	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H2O-H"	-19.01839
"67146"	107.003657333333	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-3H"	-3.021828
"505612"	161.009124	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-3H"	-3.021828
"885604"	52.9981906666667	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-3H"	-3.021828
"3084"	161.009124	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H"	-2.014552
"443738"	242.017324	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H"	-2.014552
"822631"	80.000924	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H"	-2.014552
"81166"	323.025524	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-H"	-1.007276
"521093"	485.041924	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-H"	-1.007276
"911329"	161.009124	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H"	-1.007276
"62147"	340.052071	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H+NH4"	16.019271
"502572"	502.068471	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H+NH4"	16.019271
"879267"	178.035671	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H+NH4"	16.019271
"46933"	345.007466	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H+Na"	20.974666
"486738"	507.023866	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H+Na"	20.974666
"863443"	182.991066	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H+Na"	20.974666
"1633582"	182.991066	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na-2H"	20.974666
"109866"	178.997463	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-H+Cl"	33.962126
"549668"	260.005663	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-H+Cl"	33.962126
"941728"	97.989263	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+Cl"	33.962126
"282102"	359.002202	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Cl"	34.969402
"674892"	521.018602	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+Cl"	34.969402
"1288024"	196.985802	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl"	34.969402
"22072"	360.981406	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H+K"	36.948606
"462729"	522.997806	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H+K"	36.948606
"843811"	198.965006	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H+K"	36.948606
"1560736"	198.965006	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K-2H"	36.948606
"948621"	207.014594	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+HCOOH"	44.998194
"365744"	369.031001	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+HCOOH-H"	44.998201
"348899"	383.046651	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Hac-H"	59.013851
"1498461"	221.030251	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Hac-H"	59.013851
"961993"	228.996551	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+NaCOOH"	66.980151
"113087"	196.985802	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2Cl"	69.938804
"551551"	277.994002	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2Cl"	69.938804
"1022537"	115.977602	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2Cl"	69.938804
"1244304"	240.935285	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Br"	78.918885
"1312952"	242.991272	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl+HCOOH"	80.974872
"1329355"	264.973229	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl+NaCOOH"	102.956829
"914948"	275.001986	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+CF3COOH"	112.985586
"1293845"	310.978664	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl+CF3COOH"	148.962264
"1367183"	127.003724	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H-2H2O"	-35.012676
"1383333"	145.0137	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H-H2O"	-17.0027
"283110"	325.040076	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H"	1.007276
"676871"	487.056476	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H"	1.007276
"1353585"	163.023676	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H"	1.007276
"130850"	163.023676	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2H"	2.014552
"569681"	244.031876	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2H"	2.014552
"1043583"	82.015476	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2H"	2.014552
"211483"	109.018209333333	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+3H"	3.021828
"648129"	163.023676	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+3H"	3.021828
"1171357"	55.0127426666667	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+3H"	3.021828
"427700"	342.066623	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+NH4"	18.033823
"795624"	504.083023	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+NH4"	18.033823
"1690862"	180.050223	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+NH4"	18.033823
"339141"	171.5369495	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H+NH4"	19.041099
"732653"	252.5451495	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H+NH4"	19.041099
"1478826"	90.5287495	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+NH4"	19.041099
"401883"	347.022018	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Na"	22.989218
"758503"	509.038418	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+Na"	22.989218
"1603191"	185.005618	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na"	22.989218
"314813"	174.014647	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H+Na"	23.996494
"715628"	255.022847	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H+Na"	23.996494
"1474924"	93.006447	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+Na"	23.996494
"1067685"	62.3400566666667	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2H+Na"	25.00377
"1272689"	195.049886	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+CH3OH+H"	33.033486
"392556"	362.995958	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+K"	38.963158
"751600"	525.012358	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+K"	38.963158
"1545998"	200.979558	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K"	38.963158
"308642"	182.001617	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H+K"	39.970434
"703250"	263.009817	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H+K"	39.970434
"1459989"	100.993417	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+K"	39.970434
"247496"	366.066626	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+ACN+H"	42.033826
"1213281"	204.050226	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+ACN+H"	42.033826
"1198988"	102.528751	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+ACN+2H"	43.041102
"191856"	369.00396	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2Na-H"	44.97116
"634696"	531.02036	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2Na-H"	44.97116
"1134924"	206.98756	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2Na-H"	44.97116
"180400"	185.005618	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2Na"	45.978436
"619964"	266.013818	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2Na"	45.978436
"1124566"	103.997418	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2Na"	45.978436
"1405903"	69.6673706666667	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+2Na"	46.985712
"1443495"	209.029146	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+HCOOH"	47.012746
"233558"	190.03864	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+3H2O+2H"	56.04448
"1521986"	223.08119	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+IsoProp+H"	61.06479
"422767"	192.992588	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Na+K"	61.952376
"785095"	274.000788	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+Na+K"	61.952376
"1678873"	111.984388	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na+K"	61.952376
"264056"	388.048568	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+ACN+Na"	64.015768
"1240655"	226.032168	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+ACN+Na"	64.015768
"1726989"	226.055693	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+NH4+HCOOH"	64.039293
"1193802"	76.9946846666667	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+3Na"	68.967654
"1664425"	231.011088	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na+HCOOH"	68.994688
"172380"	400.95184	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2K-H"	76.91904
"611943"	562.96824	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2K-H"	76.91904
"1098515"	238.93544	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2K-H"	76.91904
"155209"	200.979558	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2K"	77.926316
"594404"	281.987758	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2K"	77.926316
"1077823"	119.971358	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2K"	77.926316
"1111031"	240.949992	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2K+H"	78.933592
"1336965"	241.037607	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+DMSO+H"	79.021207
"1006834"	245.076776	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2ACN+H"	83.060376
"1525081"	246.070408	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+IsoProp+Na+H"	84.054008
"997246"	123.042026	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2ACN+2H"	84.067652
"1597215"	246.985028	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K+HCOOH"	84.968628
"1420690"	277.016538	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+CF3COOH"	115.000138
"1160822"	143.555301	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+3ACN+2H"	125.094202
"1704906"	294.043085	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+NH4+CF3COOH"	132.026685
"1642746"	298.99848	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na+CF3COOH"	136.98208
"1583863"	314.97242	"C05946"	"(4R)-4-Hydroxy-2-oxoglutarate;(R)-2-Hydroxy-4-oxopentanedioate;D-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K+CF3COOH"	152.95602
"813134"	163.0481	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M"	0
"977918"	144.02971	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-H2O-H"	-19.01839
"67256"	107.691457333333	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M-3H"	-3.021828
"507909"	162.040824	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M-3H"	-3.021828
"885714"	53.3420906666667	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-3H"	-3.021828
"3195"	162.040824	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M-2H"	-2.014552
"450408"	243.564874	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M-2H"	-2.014552
"821649"	80.516774	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-2H"	-2.014552
"86016"	325.088924	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M-H"	-1.007276
"526671"	488.137024	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M-H"	-1.007276
"910876"	162.040824	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-H"	-1.007276
"62378"	342.115471	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M-2H+NH4"	16.019271
"502810"	505.163571	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M-2H+NH4"	16.019271
"879922"	179.067371	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-2H+NH4"	16.019271
"46801"	347.070866	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M-2H+Na"	20.974666
"486482"	510.118966	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M-2H+Na"	20.974666
"863757"	184.022766	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-2H+Na"	20.974666
"1633692"	184.022766	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Na-2H"	20.974666
"109616"	180.029163	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M-H+Cl"	33.962126
"549618"	261.553213	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M-H+Cl"	33.962126
"942403"	98.505113	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-H+Cl"	33.962126
"279545"	361.065602	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+Cl"	34.969402
"675603"	524.113702	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+Cl"	34.969402
"1287280"	198.017502	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Cl"	34.969402
"25463"	363.044806	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M-2H+K"	36.948606
"470493"	526.092906	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M-2H+K"	36.948606
"843922"	199.996706	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-2H+K"	36.948606
"1568502"	199.996706	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+K-2H"	36.948606
"952011"	208.046294	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-H+HCOOH"	44.998194
"371321"	371.094401	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+HCOOH-H"	44.998201
"353020"	385.110051	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+Hac-H"	59.013851
"1496748"	222.061951	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Hac-H"	59.013851
"965383"	230.028251	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-H+NaCOOH"	66.980151
"115384"	198.017502	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+2Cl"	69.938804
"552757"	279.541552	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+2Cl"	69.938804
"1025565"	116.493452	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2Cl"	69.938804
"1246235"	241.966985	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Br"	78.918885
"1313062"	244.022972	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Cl+HCOOH"	80.974872
"1330559"	266.004929	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Cl+NaCOOH"	102.956829
"920525"	276.033686	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M-H+CF3COOH"	112.985586
"1295049"	312.010364	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Cl+CF3COOH"	148.962264
"1375396"	128.035424	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H-2H2O"	-35.012676
"1385602"	146.0454	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H-H2O"	-17.0027
"293673"	327.103476	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+H"	1.007276
"679168"	490.151576	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+H"	1.007276
"1356977"	164.055376	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H"	1.007276
"130960"	164.055376	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+2H"	2.014552
"571613"	245.579426	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+2H"	2.014552
"1050253"	82.531326	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2H"	2.014552
"211595"	109.706009333333	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+3H"	3.021828
"651156"	164.055376	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+3H"	3.021828
"1169281"	55.3566426666667	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+3H"	3.021828
"427448"	344.130023	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+NH4"	18.033823
"794641"	507.178123	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+NH4"	18.033823
"1693159"	181.081923	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+NH4"	18.033823
"340344"	172.5686495	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+H+NH4"	19.041099
"731670"	254.0926995	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+H+NH4"	19.041099
"1481124"	91.0445995	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H+NH4"	19.041099
"403089"	349.085418	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+Na"	22.989218
"764081"	512.133518	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+Na"	22.989218
"1603794"	186.037318	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Na"	22.989218
"318936"	175.046347	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+H+Na"	23.996494
"711358"	256.570397	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+H+Na"	23.996494
"1476735"	93.522297	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H+Na"	23.996494
"1068037"	62.6839566666667	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2H+Na"	25.00377
"1272686"	196.081586	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+CH3OH+H"	33.033486
"392785"	365.059358	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+K"	38.963158
"751712"	528.107458	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+K"	38.963158
"1550482"	202.011258	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+K"	38.963158
"313252"	183.033317	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+H+K"	39.970434
"706482"	264.557367	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+H+K"	39.970434
"1460344"	101.509267	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H+K"	39.970434
"249429"	368.130026	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+ACN+H"	42.033826
"1222501"	205.081926	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+ACN+H"	42.033826
"1200193"	103.044601	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+ACN+2H"	43.041102
"194155"	371.06736	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+2Na-H"	44.97116
"636996"	534.11546	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+2Na-H"	44.97116
"1136129"	208.01926	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2Na-H"	44.97116
"181606"	186.037318	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+2Na"	45.978436
"623356"	267.561368	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+2Na"	45.978436
"1124679"	104.513268	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2Na"	45.978436
"1409294"	70.0112706666667	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H+2Na"	46.985712
"1444096"	210.060846	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H+HCOOH"	47.012746
"233305"	191.07034	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+3H2O+2H"	56.04448
"1521978"	224.11289	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+IsoProp+H"	61.06479
"422150"	194.024288	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+Na+K"	61.952376
"784237"	275.548338	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+Na+K"	61.952376
"1680326"	112.500238	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Na+K"	61.952376
"264532"	390.111968	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+ACN+Na"	64.015768
"1240158"	227.063868	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+ACN+Na"	64.015768
"1727950"	227.087393	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+NH4+HCOOH"	64.039293
"1193547"	77.3385846666667	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+3Na"	68.967654
"1664784"	232.042788	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Na+HCOOH"	68.994688
"171891"	403.01524	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+2K-H"	76.91904
"612731"	566.06334	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+2K-H"	76.91904
"1099484"	239.96714	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2K-H"	76.91904
"156537"	202.011258	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"2M+2K"	77.926316
"594513"	283.535308	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"3M+2K"	77.926316
"1080119"	120.487208	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2K"	77.926316
"1108953"	241.981692	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2K+H"	78.933592
"1342059"	242.069307	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+DMSO+H"	79.021207
"1008404"	246.108476	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2ACN+H"	83.060376
"1530903"	247.102108	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+IsoProp+Na+H"	84.054008
"998448"	123.557876	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+2ACN+2H"	84.067652
"1590398"	248.016728	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+K+HCOOH"	84.968628
"1418612"	278.048238	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+H+CF3COOH"	115.000138
"1158747"	144.071151	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+3ACN+2H"	125.094202
"1701736"	295.074785	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+NH4+CF3COOH"	132.026685
"1646136"	300.03018	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+Na+CF3COOH"	136.98208
"1583973"	316.00412	"C05947"	"L-erythro-4-Hydroxyglutamate"	"C5H9NO5"	"163.0481"	"M+K+CF3COOH"	152.95602
"804496"	334.2144	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M"	0
"975841"	315.19601	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"67366"	221.802324	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"503088"	333.207124	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"885824"	110.397524	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"3305"	333.207124	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"445051"	500.314324	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"825038"	166.099924	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"82845"	667.421524	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"526781"	1001.635924	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"910662"	333.207124	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"60905"	684.448071	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"502290"	1018.662471	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"879782"	350.233671	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"46917"	689.403466	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"486879"	1023.617866	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"863956"	355.189066	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1633478"	355.189066	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"108384"	351.195463	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"547942"	518.302663	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"940362"	184.088263	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"281720"	703.398202	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"674990"	1037.612602	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1287390"	369.183802	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"25573"	705.377406	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"470603"	1039.591806	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"844032"	371.163006	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1568248"	371.163006	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"952121"	379.212594	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"370338"	713.427001	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"353494"	727.442651	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1499045"	393.228251	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"964400"	401.194551	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"115494"	369.183802	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"551774"	536.291002	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1023488"	202.076602	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1246345"	413.133285	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1313172"	415.189272	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1330669"	437.171229	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"921729"	447.199986	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1290783"	483.176664	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1367032"	299.201724	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1385348"	317.2117	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"290503"	669.436076	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"676119"	1003.650476	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1353807"	335.221676	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"128882"	335.221676	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"568442"	502.328876	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1043803"	168.114476	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"207330"	223.816876	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"645433"	335.221676	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1168661"	112.412076	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"426101"	686.462623	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"793657"	1020.677023	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1692175"	352.248223	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"340454"	343.7349495	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"730687"	510.8421495	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1481234"	176.6277495	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"403198"	691.418018	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"764191"	1025.632418	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1604755"	357.203618	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"319046"	346.212647	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"711468"	513.319847	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1476233"	179.105447	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1066562"	119.73939	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1272457"	367.247886	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"392618"	707.391958	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"753282"	1041.606358	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1550592"	373.177558	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"313236"	354.199617	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"706024"	521.306817	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1460657"	187.092417	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"250268"	710.462626	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1222247"	376.248226	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1203583"	188.627751	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"191714"	713.39996	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"636013"	1047.61436	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1134781"	379.18556	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"178436"	357.203618	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"622369"	524.310818	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1124789"	190.096418	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1408311"	127.066704	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1445178"	381.227146	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"234145"	362.23664	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1524099"	395.27919	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"424164"	365.190588	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"785512"	532.297788	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1681251"	198.083388	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"266831"	732.444568	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1241014"	398.230168	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1728350"	398.253693	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1194030"	134.394018	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1665460"	403.209088	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"172814"	745.34784	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"612791"	1079.56224	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1099801"	411.13344	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"157044"	373.177558	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"594623"	540.284758	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1080229"	206.070358	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1105783"	413.147992	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1342169"	413.235607	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1008878"	417.274776	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1525544"	418.268408	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"1001840"	209.141026	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1596342"	419.183028	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1420910"	449.214538	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1159950"	229.654301	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1701846"	466.241085	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1646246"	471.19648	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1584083"	487.17042	"C05949"	"12-Keto-leukotriene B4;12-Keto-LTB4;5-Hydroxy-12-oxo-delta581114-eicosapolyenoic acid"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"804606"	366.2042	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M"	0
"975583"	347.18581	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-H2O-H"	-19.01839
"67476"	243.128857333333	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M-3H"	-3.021828
"504118"	365.196924	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M-3H"	-3.021828
"889214"	121.060790666667	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-3H"	-3.021828
"2322"	365.196924	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M-2H"	-2.014552
"441515"	548.299024	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M-2H"	-2.014552
"820776"	182.094824	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-2H"	-2.014552
"84048"	731.401124	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M-H"	-1.007276
"524701"	1097.605324	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M-H"	-1.007276
"905789"	365.196924	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-H"	-1.007276
"54694"	748.427671	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M-2H+NH4"	16.019271
"501426"	1114.631871	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M-2H+NH4"	16.019271
"879230"	382.223471	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-2H+NH4"	16.019271
"46857"	753.383066	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M-2H+Na"	20.974666
"483531"	1119.587266	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M-2H+Na"	20.974666
"863936"	387.178866	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-2H+Na"	20.974666
"1633421"	387.178866	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Na-2H"	20.974666
"108858"	383.185263	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M-H+Cl"	33.962126
"548052"	566.287363	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M-H+Cl"	33.962126
"941449"	200.083163	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-H+Cl"	33.962126
"281101"	767.377802	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+Cl"	34.969402
"674371"	1133.582002	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+Cl"	34.969402
"1287136"	401.173602	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Cl"	34.969402
"22403"	769.357006	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M-2H+K"	36.948606
"469620"	1135.561206	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M-2H+K"	36.948606
"843049"	403.152806	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-2H+K"	36.948606
"1568722"	403.152806	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+K-2H"	36.948606
"945670"	411.202394	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-H+HCOOH"	44.998194
"369354"	777.406601	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+HCOOH-H"	44.998201
"353240"	791.422251	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+Hac-H"	59.013851
"1499886"	425.218051	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Hac-H"	59.013851
"967427"	433.184351	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-H+NaCOOH"	66.980151
"115240"	401.173602	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+2Cl"	69.938804
"552613"	584.275702	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+2Cl"	69.938804
"1021530"	218.071502	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2Cl"	69.938804
"1249735"	445.123085	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Br"	78.918885
"1319117"	447.179072	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Cl+HCOOH"	80.974872
"1331873"	469.161029	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Cl+NaCOOH"	102.956829
"922932"	479.189786	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M-H+CF3COOH"	112.985586
"1293079"	515.166464	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Cl+CF3COOH"	148.962264
"1369053"	331.191524	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H-2H2O"	-35.012676
"1387646"	349.2015	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H-H2O"	-17.0027
"288426"	733.415676	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+H"	1.007276
"676473"	1099.619876	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+H"	1.007276
"1354280"	367.211476	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H"	1.007276
"130085"	367.211476	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+2H"	2.014552
"566729"	550.313576	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+2H"	2.014552
"1043913"	184.109376	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2H"	2.014552
"215823"	245.143409333333	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+3H"	3.021828
"649186"	367.211476	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+3H"	3.021828
"1169501"	123.075342666667	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+3H"	3.021828
"428397"	750.442223	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+NH4"	18.033823
"790485"	1116.646423	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+NH4"	18.033823
"1694107"	384.238023	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+NH4"	18.033823
"339470"	375.7247495	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+H+NH4"	19.041099
"732983"	558.8268495	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+H+NH4"	19.041099
"1481344"	192.6226495	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H+NH4"	19.041099
"402215"	755.397618	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+Na"	22.989218
"764301"	1121.601818	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+Na"	22.989218
"1608023"	389.193418	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Na"	22.989218
"319156"	378.202447	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+H+Na"	23.996494
"711578"	561.304547	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+H+Na"	23.996494
"1475256"	195.100347	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H+Na"	23.996494
"1066312"	130.402656666667	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2H+Na"	25.00377
"1271635"	399.237686	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+CH3OH+H"	33.033486
"390937"	771.371558	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+K"	38.963158
"750840"	1137.575758	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+K"	38.963158
"1548515"	405.167358	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+K"	38.963158
"313105"	386.189417	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+H+K"	39.970434
"705647"	569.291517	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+H+K"	39.970434
"1460686"	203.087317	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H+K"	39.970434
"251112"	774.442226	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+ACN+H"	42.033826
"1224423"	408.238026	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+ACN+H"	42.033826
"1202600"	204.622651	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+ACN+2H"	43.041102
"193646"	777.37956	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+2Na-H"	44.97116
"637216"	1143.58376	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+2Na-H"	44.97116
"1137077"	411.17536	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2Na-H"	44.97116
"178546"	389.193418	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+2Na"	45.978436
"625031"	572.295518	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+2Na"	45.978436
"1123078"	206.091318	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2Na"	45.978436
"1406235"	137.729970666667	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H+2Na"	46.985712
"1444557"	413.216946	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H+HCOOH"	47.012746
"235628"	394.22644	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+3H2O+2H"	56.04448
"1524082"	427.26899	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+IsoProp+H"	61.06479
"424221"	397.180388	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+Na+K"	61.952376
"785616"	580.282488	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+Na+K"	61.952376
"1678230"	214.078288	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Na+K"	61.952376
"266982"	796.424168	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+ACN+Na"	64.015768
"1239647"	430.219968	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+ACN+Na"	64.015768
"1728418"	430.243493	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+NH4+HCOOH"	64.039293
"1194091"	145.057284666667	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+3Na"	68.967654
"1665005"	435.198888	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Na+HCOOH"	68.994688
"172809"	809.32744	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+2K-H"	76.91904
"612561"	1175.53164	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+2K-H"	76.91904
"1099750"	443.12324	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2K-H"	76.91904
"156514"	405.167358	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"2M+2K"	77.926316
"596438"	588.269458	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"3M+2K"	77.926316
"1078153"	222.065258	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2K"	77.926316
"1110997"	445.137792	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2K+H"	78.933592
"1345559"	445.225407	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+DMSO+H"	79.021207
"1010081"	449.264576	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2ACN+H"	83.060376
"1525652"	450.258208	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+IsoProp+Na+H"	84.054008
"1000857"	225.135926	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+2ACN+2H"	84.067652
"1594266"	451.172828	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+K+HCOOH"	84.968628
"1423207"	481.204338	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+H+CF3COOH"	115.000138
"1157872"	245.649201	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+3ACN+2H"	125.094202
"1701956"	498.230885	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+NH4+CF3COOH"	132.026685
"1643073"	503.18628	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+Na+CF3COOH"	136.98208
"1584193"	519.16022	"C05950"	"20-COOH-Leukotriene B4;20-COOH-LTB4;20-Carboxy-leukotriene B4;512-Dihydroxy-delta581114-eicosapolyendioic acid"	"C20H30O6"	"366.2042"	"M+K+CF3COOH"	152.95602
"804716"	496.2607	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M"	0
"976059"	477.24231	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-H2O-H"	-19.01839
"67586"	329.833190666667	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M-3H"	-3.021828
"503863"	495.253424	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M-3H"	-3.021828
"889324"	164.412957333333	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-3H"	-3.021828
"1339"	495.253424	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M-2H"	-2.014552
"444176"	743.383774	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M-2H"	-2.014552
"821979"	247.123074	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-2H"	-2.014552
"83064"	991.514124	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M-H"	-1.007276
"523718"	1487.774824	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M-H"	-1.007276
"903712"	495.253424	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-H"	-1.007276
"53711"	1008.540671	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M-2H+NH4"	16.019271
"500808"	1504.801371	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M-2H+NH4"	16.019271
"877517"	512.279971	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-2H+NH4"	16.019271
"46885"	1013.496066	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M-2H+Na"	20.974666
"483641"	1509.756766	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M-2H+Na"	20.974666
"862539"	517.235366	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-2H+Na"	20.974666
"1630614"	517.235366	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Na-2H"	20.974666
"107872"	513.241763	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M-H+Cl"	33.962126
"547312"	761.372113	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M-H+Cl"	33.962126
"941315"	265.111413	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-H+Cl"	33.962126
"281573"	1027.490802	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+Cl"	34.969402
"674483"	1523.751502	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+Cl"	34.969402
"1286883"	531.230102	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Cl"	34.969402
"25793"	1029.470006	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M-2H+K"	36.948606
"469854"	1525.730706	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M-2H+K"	36.948606
"840972"	533.209306	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-2H+K"	36.948606
"1567739"	533.209306	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+K-2H"	36.948606
"943348"	541.258894	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-H+HCOOH"	44.998194
"366184"	1037.519601	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+HCOOH-H"	44.998201
"349340"	1051.535251	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+Hac-H"	59.013851
"1498902"	555.274551	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Hac-H"	59.013851
"964257"	563.240851	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-H+NaCOOH"	66.980151
"113162"	531.230102	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+2Cl"	69.938804
"553087"	779.360452	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+2Cl"	69.938804
"1021637"	283.099752	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2Cl"	69.938804
"1249845"	575.179585	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Br"	78.918885
"1317040"	577.235572	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Cl+HCOOH"	80.974872
"1330890"	599.217529	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Cl+NaCOOH"	102.956829
"916480"	609.246286	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M-H+CF3COOH"	112.985586
"1293188"	645.222964	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Cl+CF3COOH"	148.962264
"1369405"	461.248024	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H-2H2O"	-35.012676
"1386663"	479.258	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H-H2O"	-17.0027
"285255"	993.528676	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+H"	1.007276
"676095"	1489.789376	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+H"	1.007276
"1352933"	497.267976	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H"	1.007276
"126305"	497.267976	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+2H"	2.014552
"566714"	745.398326	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+2H"	2.014552
"1040743"	249.137626	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2H"	2.014552
"209739"	331.847742666667	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+3H"	3.021828
"652580"	497.267976	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+3H"	3.021828
"1168515"	166.427509333333	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+3H"	3.021828
"427777"	1010.555223	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+NH4"	18.033823
"788042"	1506.815923	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+NH4"	18.033823
"1683279"	514.294523	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+NH4"	18.033823
"337394"	505.7812495	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+H+NH4"	19.041099
"727989"	753.9115995	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+H+NH4"	19.041099
"1479265"	257.6508995	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H+NH4"	19.041099
"402323"	1015.510618	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+Na"	22.989218
"761129"	1511.771318	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+Na"	22.989218
"1603510"	519.249918	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Na"	22.989218
"314889"	508.258947	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+H+Na"	23.996494
"708526"	756.389297	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+H+Na"	23.996494
"1476337"	260.128597	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H+Na"	23.996494
"1068126"	173.754823333333	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2H+Na"	25.00377
"1271013"	529.294186	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+CH3OH+H"	33.033486
"392144"	1031.484558	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+K"	38.963158
"752408"	1527.745258	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+K"	38.963158
"1547532"	535.223858	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+K"	38.963158
"313457"	516.245917	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+H+K"	39.970434
"705878"	764.376267	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+H+K"	39.970434
"1460434"	268.115567	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H+K"	39.970434
"250124"	1034.555226	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+ACN+H"	42.033826
"1223926"	538.294526	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+ACN+H"	42.033826
"1201616"	269.650901	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+ACN+2H"	43.041102
"195579"	1037.49256	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+2Na-H"	44.97116
"637325"	1533.75326	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+2Na-H"	44.97116
"1139738"	541.23186	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2Na-H"	44.97116
"179019"	519.249918	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+2Na"	45.978436
"623682"	767.380268	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+2Na"	45.978436
"1124281"	271.119568	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2Na"	45.978436
"1407074"	181.082137333333	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H+2Na"	46.985712
"1444303"	543.273446	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H+HCOOH"	47.012746
"235465"	524.28294	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+3H2O+2H"	56.04448
"1523846"	557.32549	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+IsoProp+H"	61.06479
"424102"	527.236888	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+Na+K"	61.952376
"785048"	775.367238	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+Na+K"	61.952376
"1677976"	279.106538	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Na+K"	61.952376
"266320"	1056.537168	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+ACN+Na"	64.015768
"1241177"	560.276468	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+ACN+Na"	64.015768
"1728416"	560.299993	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+NH4+HCOOH"	64.039293
"1194158"	188.409451333333	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+3Na"	68.967654
"1664994"	565.255388	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Na+HCOOH"	68.994688
"172749"	1069.44044	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+2K-H"	76.91904
"612470"	1565.70114	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+2K-H"	76.91904
"1099210"	573.17974	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2K-H"	76.91904
"155894"	535.223858	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"2M+2K"	77.926316
"596305"	783.354208	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"3M+2K"	77.926316
"1080449"	287.093508	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2K"	77.926316
"1112200"	575.194292	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2K+H"	78.933592
"1345669"	575.281907	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+DMSO+H"	79.021207
"1008734"	579.321076	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2ACN+H"	83.060376
"1524465"	580.314708	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+IsoProp+Na+H"	84.054008
"1003154"	290.164176	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+2ACN+2H"	84.067652
"1594376"	581.229328	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+K+HCOOH"	84.968628
"1422223"	611.260838	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+H+CF3COOH"	115.000138
"1157982"	310.677451	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+3ACN+2H"	125.094202
"1702066"	628.287385	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+NH4+CF3COOH"	132.026685
"1644276"	633.24278	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+Na+CF3COOH"	136.98208
"1584303"	649.21672	"C05951"	"Leukotriene D4;LTD4"	"C25H40N2O6S"	"496.2607"	"M+K+CF3COOH"	152.95602
"811388"	439.2392	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M"	0
"979453"	420.22081	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-H2O-H"	-19.01839
"68789"	291.818857333333	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M-3H"	-3.021828
"517099"	438.231924	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M-3H"	-3.021828
"889433"	145.405790666667	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-3H"	-3.021828
"5822"	438.231924	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M-2H"	-2.014552
"442462"	657.851524	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M-2H"	-2.014552
"819172"	218.612324	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-2H"	-2.014552
"80257"	877.471124	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M-H"	-1.007276
"523828"	1316.710324	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M-H"	-1.007276
"907102"	438.231924	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-H"	-1.007276
"56007"	894.497671	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M-2H+NH4"	16.019271
"501527"	1333.736871	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M-2H+NH4"	16.019271
"877990"	455.258471	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-2H+NH4"	16.019271
"46390"	899.453066	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M-2H+Na"	20.974666
"484844"	1338.692266	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M-2H+Na"	20.974666
"863378"	460.213866	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-2H+Na"	20.974666
"1632544"	460.213866	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Na-2H"	20.974666
"109074"	456.220263	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M-H+Cl"	33.962126
"543167"	675.839863	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M-H+Cl"	33.962126
"940692"	236.600663	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-H+Cl"	33.962126
"278520"	913.447802	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+Cl"	34.969402
"674833"	1352.687002	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+Cl"	34.969402
"1287478"	474.208602	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Cl"	34.969402
"19342"	915.427006	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M-2H+K"	36.948606
"468745"	1354.666206	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M-2H+K"	36.948606
"842173"	476.187806	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-2H+K"	36.948606
"1561286"	476.187806	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+K-2H"	36.948606
"943823"	484.237394	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-H+HCOOH"	44.998194
"366294"	923.476601	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+HCOOH-H"	44.998201
"350178"	937.492251	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+Hac-H"	59.013851
"1500105"	498.253051	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Hac-H"	59.013851
"965459"	506.219351	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-H+NaCOOH"	66.980151
"111083"	474.208602	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+2Cl"	69.938804
"551858"	693.828202	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+2Cl"	69.938804
"1023817"	254.589002	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2Cl"	69.938804
"1246674"	518.158085	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Br"	78.918885
"1314597"	520.214072	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Cl+HCOOH"	80.974872
"1328812"	542.196029	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Cl+NaCOOH"	102.956829
"914400"	552.224786	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M-H+CF3COOH"	112.985586
"1290745"	588.201464	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Cl+CF3COOH"	148.962264
"1367204"	404.226524	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H-2H2O"	-35.012676
"1382963"	422.2365	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H-H2O"	-17.0027
"285365"	879.485676	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+H"	1.007276
"677786"	1318.724876	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+H"	1.007276
"1352306"	440.246476	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H"	1.007276
"127020"	440.246476	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+2H"	2.014552
"566944"	659.866076	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+2H"	2.014552
"1041580"	220.626876	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2H"	2.014552
"209116"	293.833409333333	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+3H"	3.021828
"650502"	440.246476	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+3H"	3.021828
"1168259"	147.420342666667	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+3H"	3.021828
"427885"	896.512223	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+NH4"	18.033823
"786810"	1335.751423	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+NH4"	18.033823
"1682779"	457.273023	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+NH4"	18.033823
"335316"	448.7597495	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+H+NH4"	19.041099
"727005"	668.3793495	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+H+NH4"	19.041099
"1482654"	229.1401495	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H+NH4"	19.041099
"403526"	901.467618	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+Na"	22.989218
"760146"	1340.706818	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+Na"	22.989218
"1604109"	462.228418	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Na"	22.989218
"317187"	451.237447	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+H+Na"	23.996494
"709608"	670.857047	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+H+Na"	23.996494
"1475474"	231.617847	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H+Na"	23.996494
"1067623"	154.747656666667	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2H+Na"	25.00377
"1271732"	472.272686	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+CH3OH+H"	33.033486
"392660"	917.441558	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+K"	38.963158
"748870"	1356.680758	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+K"	38.963158
"1554816"	478.202358	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+K"	38.963158
"313204"	459.224417	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+H+K"	39.970434
"706398"	678.844017	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+H+K"	39.970434
"1459812"	239.604817	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H+K"	39.970434
"250235"	920.512226	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+ACN+H"	42.033826
"1224769"	481.273026	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+ACN+H"	42.033826
"1209666"	241.140151	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+ACN+2H"	43.041102
"199334"	923.44956	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+2Na-H"	44.97116
"643149"	1362.68876	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+2Na-H"	44.97116
"1146973"	484.21036	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2Na-H"	44.97116
"183870"	462.228418	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+2Na"	45.978436
"621606"	681.848018	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+2Na"	45.978436
"1126581"	242.608818	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2Na"	45.978436
"1409374"	162.074970666667	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H+2Na"	46.985712
"1442581"	486.251946	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H+HCOOH"	47.012746
"234846"	467.26144	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+3H2O+2H"	56.04448
"1524091"	500.30399	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+IsoProp+H"	61.06479
"424174"	470.215388	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+Na+K"	61.952376
"785168"	689.834988	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+Na+K"	61.952376
"1680891"	250.595788	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Na+K"	61.952376
"266940"	942.494168	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+ACN+Na"	64.015768
"1240481"	503.254968	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+ACN+Na"	64.015768
"1727787"	503.278493	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+NH4+HCOOH"	64.039293
"1193027"	169.402284666667	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+3Na"	68.967654
"1665106"	508.233888	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Na+HCOOH"	68.994688
"172534"	955.39744	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+2K-H"	76.91904
"609691"	1394.63664	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+2K-H"	76.91904
"1098217"	516.15824	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2K-H"	76.91904
"154302"	478.202358	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"2M+2K"	77.926316
"590581"	697.821958	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"3M+2K"	77.926316
"1076187"	258.582758	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2K"	77.926316
"1107209"	518.172792	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2K+H"	78.933592
"1342500"	518.260407	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+DMSO+H"	79.021207
"1013219"	522.299576	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2ACN+H"	83.060376
"1538758"	523.293208	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+IsoProp+Na+H"	84.054008
"1002170"	261.653426	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+2ACN+2H"	84.067652
"1592299"	524.207828	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+K+HCOOH"	84.968628
"1421240"	554.239338	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+H+CF3COOH"	115.000138
"1161373"	282.166701	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+3ACN+2H"	125.094202
"1705458"	571.265885	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+NH4+CF3COOH"	132.026685
"1646576"	576.22128	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+Na+CF3COOH"	136.98208
"1584413"	592.19522	"C05952"	"Leukotriene E4;LTE4;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-791114-tetraenoate;(7E9E11Z14Z)-(5S6R)-6-(Cystein-S-yl)-5-hydroxyicosa-791114-tetraenoate"	"C23H37NO5S"	"439.2392"	"M+K+CF3COOH"	152.95602
"804936"	334.2144	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M"	0
"974301"	315.19601	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"67806"	221.802324	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"513929"	333.207124	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"889544"	110.397524	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"2649"	333.207124	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"440992"	500.314324	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"818551"	166.099924	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"82190"	667.421524	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"520291"	1001.635924	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"907212"	333.207124	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"55024"	684.448071	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"501149"	1018.662471	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"877492"	350.233671	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"45759"	689.403466	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"484954"	1023.617866	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"863448"	355.189066	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1627187"	355.189066	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"106998"	351.195463	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"541090"	518.302663	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"938980"	184.088263	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"275350"	703.398202	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"674213"	1037.612602	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1287996"	369.183802	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"22732"	705.377406	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"461200"	1039.591806	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"842283"	371.163006	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1561396"	371.163006	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"943812"	379.212594	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"366404"	713.427001	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"350288"	727.442651	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1500215"	393.228251	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"965569"	401.194551	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"111194"	369.183802	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"551604"	536.291002	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1023927"	202.076602	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1246784"	413.133285	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1314707"	415.189272	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1328924"	437.171229	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"917792"	447.199986	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1294501"	483.176664	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1369015"	299.201724	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1383960"	317.2117	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"283162"	669.436076	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"675825"	1003.650476	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1355338"	335.221676	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"129685"	335.221676	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"570338"	502.328876	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1042417"	168.114476	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"215421"	223.816876	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"652795"	335.221676	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1173106"	112.412076	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"429454"	686.462623	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"787895"	1020.677023	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1686779"	352.248223	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"335426"	343.7349495	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"727115"	510.8421495	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1482764"	176.6277495	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"395981"	691.418018	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"755880"	1025.632418	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1603166"	357.203618	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"318390"	346.212647	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"710812"	513.319847	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1474491"	179.105447	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1067730"	119.73939	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1271233"	367.247886	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"392722"	707.391958	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"754010"	1041.606358	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1554682"	373.177558	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"310398"	354.199617	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"706710"	521.306817	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1460529"	187.092417	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"247793"	710.462626	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1222689"	376.248226	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1209246"	188.627751	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"202968"	713.39996	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"643988"	1047.61436	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1146402"	379.18556	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"184344"	357.203618	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"623902"	524.310818	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1129241"	190.096418	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1410213"	127.066704	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1441598"	381.227146	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"235584"	362.23664	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1524090"	395.27919	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"423793"	365.190588	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"785640"	532.297788	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1681235"	198.083388	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"263261"	732.444568	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1238157"	398.230168	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1726315"	398.253693	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1194166"	134.394018	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1665422"	403.209088	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"171337"	745.34784	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"607611"	1079.56224	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1099056"	411.13344	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"151131"	373.177558	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"588503"	540.284758	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1077390"	206.070358	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1106226"	413.147992	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1343703"	413.235607	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1013329"	417.274776	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1539110"	418.268408	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"999000"	209.141026	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1594596"	419.183028	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1420257"	449.214538	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1158203"	229.654301	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1705568"	466.241085	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1646686"	471.19648	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1584523"	487.17042	"C05953"	"Prostaglandin A2;PGA2;Medullin"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"808326"	334.2144	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M"	0
"975296"	315.19601	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"74476"	221.802324	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"515132"	333.207124	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"889654"	110.397524	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"10412"	333.207124	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"443413"	500.314324	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"821214"	166.099924	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"86674"	667.421524	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"524046"	1001.635924	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"908415"	333.207124	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"55134"	684.448071	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"501503"	1018.662471	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"874684"	350.233671	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"44047"	689.403466	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"484943"	1023.617866	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"862383"	355.189066	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1628389"	355.189066	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"108201"	351.195463	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"543386"	518.302663	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"931435"	184.088263	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"272180"	703.398202	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"665694"	1037.612602	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1286846"	369.183802	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"22842"	705.377406	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"463497"	1039.591806	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"842393"	371.163006	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1563693"	371.163006	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"947203"	379.212594	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"366514"	713.427001	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"350398"	727.442651	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1500325"	393.228251	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"964586"	401.194551	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"111668"	369.183802	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"553416"	536.291002	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1027317"	202.076602	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1246894"	413.133285	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1315910"	415.189272	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1330128"	437.171229	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"917902"	447.199986	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1293518"	483.176664	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1369493"	299.201724	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1384071"	317.2117	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"283396"	669.436076	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"675855"	1003.650476	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1359821"	335.221676	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"128701"	335.221676	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"575551"	502.328876	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1044350"	168.114476	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"217355"	223.816876	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"656185"	335.221676	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1173216"	112.412076	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"430655"	686.462623	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"791651"	1020.677023	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1685796"	352.248223	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"333713"	343.7349495	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"726862"	510.8421495	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1480688"	176.6277495	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"397184"	691.418018	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"755990"	1025.632418	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1602822"	357.203618	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"315221"	346.212647	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"708736"	513.319847	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1474236"	179.105447	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1065654"	119.73939	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1271343"	367.247886	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"391372"	707.391958	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"753466"	1041.606358	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1552240"	373.177558	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"310142"	354.199617	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"702928"	521.306817	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1460032"	187.092417	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"248267"	710.462626	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1221340"	376.248226	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1206318"	188.627751	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"197000"	713.39996	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"641302"	1047.61436	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1143348"	379.18556	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"181174"	357.203618	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"616724"	524.310818	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1129352"	190.096418	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1408500"	127.066704	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1440614"	381.227146	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"235065"	362.23664	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1524086"	395.27919	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"423538"	365.190588	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"785538"	532.297788	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1681201"	198.083388	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"263735"	732.444568	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1237538"	398.230168	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1726789"	398.253693	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1194145"	134.394018	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1663125"	403.209088	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"168890"	745.34784	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"612597"	1079.56224	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1099492"	411.13344	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"151241"	373.177558	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"590800"	540.284758	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1077501"	206.070358	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1106336"	413.147992	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1343813"	413.235607	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1013439"	417.274776	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1539220"	418.268408	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"999110"	209.141026	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1594706"	419.183028	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1422554"	449.214538	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1160501"	229.654301	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1705679"	466.241085	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1648984"	471.19648	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1584633"	487.17042	"C05954"	"Prostaglandin B2;PGB2"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"805156"	334.2144	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M"	0
"976498"	315.19601	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"71306"	221.802324	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"506491"	333.207124	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"890857"	110.397524	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"8336"	333.207124	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"443524"	500.314324	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"822417"	166.099924	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"87877"	667.421524	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"524158"	1001.635924	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"904150"	333.207124	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"53057"	684.448071	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"500031"	1018.662471	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"875888"	350.233671	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"44763"	689.403466	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"482257"	1023.617866	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"859696"	355.189066	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1628499"	355.189066	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"106124"	351.195463	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"545684"	518.302663	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"931542"	184.088263	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"270100"	703.398202	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"665804"	1037.612602	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1279301"	369.183802	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"22952"	705.377406	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"465794"	1039.591806	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"843597"	371.163006	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1564896"	371.163006	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"946584"	379.212594	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"362978"	713.427001	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"348320"	727.442651	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1498249"	393.228251	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"962510"	401.194551	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"110685"	369.183802	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"553162"	536.291002	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1027427"	202.076602	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1243724"	413.133285	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1313834"	415.189272	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1326958"	437.171229	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"920199"	447.199986	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1294720"	483.176664	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1369236"	299.201724	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1386367"	317.2117	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"284961"	669.436076	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"676655"	1003.650476	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1358838"	335.221676	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"136100"	335.221676	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"576755"	502.328876	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1047740"	168.114476	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"217828"	223.816876	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"655201"	335.221676	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1170774"	112.412076	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"430401"	686.462623	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"790667"	1020.677023	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1685906"	352.248223	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"338926"	343.7349495	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"725511"	510.8421495	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1479705"	176.6277495	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"396200"	691.418018	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"758286"	1025.632418	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1603059"	357.203618	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"315331"	346.212647	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"708115"	513.319847	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1472889"	179.105447	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1065036"	119.73939	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1270240"	367.247886	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"390025"	707.391958	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"752604"	1041.606358	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1551986"	373.177558	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"308067"	354.199617	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"702310"	521.306817	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1460021"	187.092417	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"250202"	710.462626	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1224977"	376.248226	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1207888"	188.627751	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"197110"	713.39996	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"642994"	1047.61436	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1143944"	379.18556	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"184562"	357.203618	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"620842"	524.310818	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1128733"	190.096418	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1408975"	127.066704	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1438538"	381.227146	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"235466"	362.23664	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1523987"	395.27919	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"422916"	365.190588	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"785437"	532.297788	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1681064"	198.083388	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"264937"	732.444568	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1238377"	398.230168	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1725803"	398.253693	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1192251"	134.394018	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1663235"	403.209088	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"169364"	745.34784	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"612692"	1079.56224	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1099521"	411.13344	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"150257"	373.177558	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"586537"	540.284758	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1076517"	206.070358	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1106445"	413.147992	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1343922"	413.235607	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1013549"	417.274776	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1538966"	418.268408	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"998127"	209.141026	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1592629"	419.183028	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1414360"	449.214538	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1161340"	229.654301	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1705789"	466.241085	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1649216"	471.19648	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1584743"	487.17042	"C05955"	"Prostaglandin C2;PGC2"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"805266"	368.2199	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M"	0
"975757"	349.20151	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-H2O-H"	-19.01839
"71416"	244.472657333333	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M-3H"	-3.021828
"504414"	367.212624	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M-3H"	-3.021828
"890967"	121.732690666667	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-3H"	-3.021828
"7353"	367.212624	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M-2H"	-2.014552
"441812"	551.322574	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M-2H"	-2.014552
"822527"	183.102674	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-2H"	-2.014552
"86894"	735.432524	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M-H"	-1.007276
"529735"	1103.652424	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M-H"	-1.007276
"904260"	367.212624	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-H"	-1.007276
"52073"	752.459071	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M-2H+NH4"	16.019271
"498197"	1120.678971	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M-2H+NH4"	16.019271
"875997"	384.239171	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-2H+NH4"	16.019271
"42808"	757.414466	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M-2H+Na"	20.974666
"483461"	1125.634366	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M-2H+Na"	20.974666
"859077"	389.194566	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-2H+Na"	20.974666
"1627516"	389.194566	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Na-2H"	20.974666
"100767"	385.200963	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M-H+Cl"	33.962126
"541419"	569.310913	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M-H+Cl"	33.962126
"936025"	201.091013	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-H+Cl"	33.962126
"270210"	771.409202	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+Cl"	34.969402
"662634"	1139.629102	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+Cl"	34.969402
"1276131"	403.189302	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Cl"	34.969402
"19782"	773.388406	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M-2H+K"	36.948606
"465904"	1141.608306	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M-2H+K"	36.948606
"841520"	405.168506	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-2H+K"	36.948606
"1561726"	405.168506	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+K-2H"	36.948606
"946330"	413.218094	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-H+HCOOH"	44.998194
"363454"	781.438001	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+HCOOH-H"	44.998201
"347338"	795.453651	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+Hac-H"	59.013851
"1498723"	427.233751	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Hac-H"	59.013851
"962620"	435.200051	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-H+NaCOOH"	66.980151
"111159"	403.189302	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+2Cl"	69.938804
"554365"	587.299252	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+2Cl"	69.938804
"1030817"	219.079352	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2Cl"	69.938804
"1249301"	447.138785	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Br"	78.918885
"1309568"	449.194772	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Cl+HCOOH"	80.974872
"1327068"	471.176729	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Cl+NaCOOH"	102.956829
"920309"	481.205486	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M-H+CF3COOH"	112.985586
"1295923"	517.182164	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Cl+CF3COOH"	148.962264
"1370805"	333.207224	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H-2H2O"	-35.012676
"1387207"	351.2172	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H-H2O"	-17.0027
"284344"	737.447076	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+H"	1.007276
"685879"	1105.666976	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+H"	1.007276
"1356761"	369.227176	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H"	1.007276
"132929"	369.227176	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+2H"	2.014552
"573583"	553.337126	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+2H"	2.014552
"1046757"	185.117226	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2H"	2.014552
"212471"	246.487209333333	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+3H"	3.021828
"654216"	369.227176	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+3H"	3.021828
"1173435"	123.747242666667	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+3H"	3.021828
"430511"	754.473623	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+NH4"	18.033823
"790413"	1122.693523	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+NH4"	18.033823
"1684922"	386.253723	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+NH4"	18.033823
"339036"	377.7404495	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+H+NH4"	19.041099
"724529"	561.8503995	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+H+NH4"	19.041099
"1482001"	193.6304995	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H+NH4"	19.041099
"397401"	759.429018	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+Na"	22.989218
"757302"	1127.648918	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+Na"	22.989218
"1604670"	391.209118	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Na"	22.989218
"319809"	380.218147	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+H+Na"	23.996494
"707861"	564.328097	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+H+Na"	23.996494
"1471177"	196.108197	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H+Na"	23.996494
"1066603"	131.074556666667	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2H+Na"	25.00377
"1270595"	401.253386	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+CH3OH+H"	33.033486
"390135"	775.402958	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+K"	38.963158
"751496"	1143.622858	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+K"	38.963158
"1552096"	407.183058	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+K"	38.963158
"310364"	388.205117	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+H+K"	39.970434
"704244"	572.315067	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+H+K"	39.970434
"1460252"	204.095167	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H+K"	39.970434
"250556"	778.473626	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+ACN+H"	42.033826
"1224967"	410.253726	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+ACN+H"	42.033826
"1207754"	205.630501	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+ACN+2H"	43.041102
"198314"	781.41096	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+2Na-H"	44.97116
"642250"	1149.63086	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+2Na-H"	44.97116
"1145268"	413.19106	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2Na-H"	44.97116
"185281"	391.209118	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+2Na"	45.978436
"616579"	575.319068	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+2Na"	45.978436
"1124466"	207.099168	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2Na"	45.978436
"1408721"	138.401870666667	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H+2Na"	46.985712
"1439012"	415.232646	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H+HCOOH"	47.012746
"235370"	396.24214	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+3H2O+2H"	56.04448
"1523595"	429.28469	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+IsoProp+H"	61.06479
"422296"	399.196088	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+Na+K"	61.952376
"784875"	583.306038	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+Na+K"	61.952376
"1680844"	215.086138	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Na+K"	61.952376
"265045"	800.455568	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+ACN+Na"	64.015768
"1238487"	432.235668	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+ACN+Na"	64.015768
"1726888"	432.259193	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+NH4+HCOOH"	64.039293
"1192362"	145.729184666667	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+3Na"	68.967654
"1663709"	437.214588	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Na+HCOOH"	68.994688
"168381"	813.35884	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+2K-H"	76.91904
"612694"	1181.57874	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+2K-H"	76.91904
"1098657"	445.13894	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2K-H"	76.91904
"147087"	407.183058	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"2M+2K"	77.926316
"593206"	591.293008	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"3M+2K"	77.926316
"1077720"	223.073108	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2K"	77.926316
"1106555"	447.153492	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2K+H"	78.933592
"1337472"	447.241107	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+DMSO+H"	79.021207
"1013659"	451.280276	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2ACN+H"	83.060376
"1538349"	452.273908	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+IsoProp+Na+H"	84.054008
"999330"	226.143776	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+2ACN+2H"	84.067652
"1596019"	453.188528	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+K+HCOOH"	84.968628
"1414187"	483.220038	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+H+CF3COOH"	115.000138
"1158534"	246.657051	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+3ACN+2H"	125.094202
"1705899"	500.246585	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+NH4+CF3COOH"	132.026685
"1648475"	505.20198	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+Na+CF3COOH"	136.98208
"1584853"	521.17592	"C05956"	"Prostaglandin G2;PGG2"	"C20H32O6"	"368.2199"	"M+K+CF3COOH"	152.95602
"805376"	334.2144	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M"	0
"976718"	315.19601	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"71526"	221.802324	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"506711"	333.207124	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"892170"	110.397524	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"8556"	333.207124	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"444838"	500.314324	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"828834"	166.099924	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"91378"	667.421524	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"529845"	1001.635924	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"905463"	333.207124	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"52183"	684.448071	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"499400"	1018.662471	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"875743"	350.233671	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"44011"	689.403466	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"481381"	1023.617866	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"860280"	355.189066	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1629448"	355.189066	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"100877"	351.195463	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"541530"	518.302663	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"938322"	184.088263	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"274694"	703.398202	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"662744"	1037.612602	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1276241"	369.183802	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"19892"	705.377406	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"463828"	1039.591806	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"841630"	371.163006	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1564023"	371.163006	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"946440"	379.212594	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"363928"	713.427001	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"348176"	727.442651	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1499197"	393.228251	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"963458"	401.194551	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"113092"	369.183802	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"553746"	536.291002	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1030927"	202.076602	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1247224"	413.133285	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1310771"	415.189272	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1327178"	437.171229	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"920418"	447.199986	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1296034"	483.176664	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1373103"	299.201724	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1385860"	317.2117	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"287369"	669.436076	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"688176"	1003.650476	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1356872"	335.221676	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"136321"	335.221676	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"575879"	502.328876	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1045773"	168.114476	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"212581"	223.816876	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"655787"	335.221676	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1171722"	112.412076	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"431713"	686.462623	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"790888"	1020.677023	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1686125"	352.248223	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"331246"	343.7349495	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"724030"	510.8421495	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1478830"	176.6277495	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"397510"	691.418018	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"756319"	1025.632418	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1606603"	357.203618	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"315545"	346.212647	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"707840"	513.319847	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1468357"	179.105447	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1068133"	119.73939	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1271798"	367.247886	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"391707"	707.391958	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"753796"	1041.606358	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1552570"	373.177558	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"311202"	354.199617	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"705082"	521.306817	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1455986"	187.092417	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"251029"	710.462626	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1224589"	376.248226	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1204460"	188.627751	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"200611"	713.39996	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"636891"	1047.61436	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1143676"	379.18556	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"185875"	357.203618	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"616687"	524.310818	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1123483"	190.096418	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1409194"	127.066704	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1436933"	381.227146	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"235476"	362.23664	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1522720"	395.27919	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"421312"	365.190588	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"784498"	532.297788	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1678272"	198.083388	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"264791"	732.444568	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1239692"	398.230168	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1727606"	398.253693	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1190647"	134.394018	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1661632"	403.209088	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"171409"	745.34784	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"612433"	1079.56224	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1090381"	411.13344	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"146104"	373.177558	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"591129"	540.284758	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1071632"	206.070358	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1108852"	413.147992	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1340862"	413.235607	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1013769"	417.274776	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1538823"	418.268408	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"1002721"	209.141026	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1596130"	419.183028	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1414620"	449.214538	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1160106"	229.654301	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1709289"	466.241085	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1648585"	471.19648	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1584963"	487.17042	"C05957"	"Prostaglandin J2;PGJ2"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"805486"	334.2144	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M"	0
"977192"	315.19601	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"71636"	221.802324	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"509009"	333.207124	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"893374"	110.397524	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"13041"	333.207124	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"444948"	500.314324	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"823842"	166.099924	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"91488"	667.421524	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"524489"	1001.635924	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"902293"	333.207124	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"51200"	684.448071	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"494042"	1018.662471	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"868563"	350.233671	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"44118"	689.403466	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"480398"	1023.617866	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"862213"	355.189066	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1631016"	355.189066	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"106452"	351.195463	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"539817"	518.302663	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"936246"	184.088263	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"274802"	703.398202	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"663946"	1037.612602	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1277078"	369.183802	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"20002"	705.377406	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"465031"	1039.591806	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"841740"	371.163006	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1564134"	371.163006	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"946184"	379.212594	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"366954"	713.427001	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"349745"	727.442651	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1499672"	393.228251	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"965027"	401.194551	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"114298"	369.183802	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"554586"	536.291002	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1026664"	202.076602	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1246241"	413.133285	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1306865"	415.189272	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1331658"	437.171229	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"919434"	447.199986	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1292863"	483.176664	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1375397"	299.201724	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1385607"	317.2117	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"285294"	669.436076	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"687192"	1003.650476	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1360262"	335.221676	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"140440"	335.221676	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"578176"	502.328876	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1045883"	168.114476	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"212691"	223.816876	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"656624"	335.221676	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1168552"	112.412076	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"430366"	686.462623	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"791000"	1020.677023	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1684777"	352.248223	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"333423"	343.7349495	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"723774"	510.8421495	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1478940"	176.6277495	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"394461"	691.418018	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"758615"	1025.632418	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1609994"	357.203618	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"315655"	346.212647	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"707948"	513.319847	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1468467"	179.105447	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1067185"	119.73939	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1271783"	367.247886	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"392181"	707.391958	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"754204"	1041.606358	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1555232"	373.177558	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"313134"	354.199617	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"703368"	521.306817	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1458283"	187.092417	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"246884"	710.462626	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1224939"	376.248226	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1201290"	188.627751	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"200721"	713.39996	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"638094"	1047.61436	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1141599"	379.18556	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"187078"	357.203618	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"618985"	524.310818	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1124689"	190.096418	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1408211"	127.066704	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1440323"	381.227146	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"234650"	362.23664	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1521007"	395.27919	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"419963"	365.190588	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"783147"	532.297788	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1676195"	198.083388	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"261621"	732.444568	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1239068"	398.230168	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1724309"	398.253693	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1192704"	134.394018	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1660648"	403.209088	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"169697"	745.34784	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"609258"	1079.56224	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1091585"	411.13344	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"148401"	373.177558	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"587961"	540.284758	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1077941"	206.070358	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1110057"	413.147992	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1344254"	413.235607	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1013879"	417.274776	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1538569"	418.268408	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"1002831"	209.141026	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1596240"	419.183028	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1414973"	449.214538	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1161669"	229.654301	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1706116"	466.241085	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1647236"	471.19648	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1585073"	487.17042	"C05958"	"delta-12-Prostaglandin J2;delta-12-PGJ2"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"805596"	354.2406	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M"	0
"976938"	335.22221	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"71746"	235.153124	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"509119"	353.233324	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"892390"	117.072924	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"7684"	353.233324	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"451616"	530.353624	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"822858"	176.113024	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"91598"	707.473924	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"524599"	1061.714524	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"904591"	353.233324	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"52404"	724.500471	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"494152"	1078.741071	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"868673"	370.259871	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"42042"	729.455866	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"480508"	1083.696466	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"860499"	375.215266	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1630031"	375.215266	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"106561"	371.221663	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"542840"	548.341963	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"931983"	194.101363	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"274912"	743.450602	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"662960"	1097.691202	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1275000"	389.210002	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"20112"	745.429806	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"466234"	1099.670406	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"841850"	391.189206	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1565338"	391.189206	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"948482"	399.238794	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"367064"	753.479401	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"350219"	767.495051	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1497959"	413.254451	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"966230"	421.220751	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"113314"	389.210002	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"555790"	566.330302	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1033336"	212.089702	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1254006"	433.159485	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1304792"	435.215472	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1326301"	457.197429	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"916264"	467.226186	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1291879"	503.202864	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1368946"	319.227924	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1385353"	337.2379	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"286862"	709.488476	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"686209"	1063.729076	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1361466"	355.247876	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"139822"	355.247876	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"579380"	532.368176	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1049274"	178.127576	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"219363"	237.167676	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"655641"	355.247876	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1169391"	119.087476	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"431569"	726.515023	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"791475"	1080.755623	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1684889"	372.274423	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"332805"	363.7611495	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"724496"	540.8814495	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1480143"	186.6408495	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"394692"	731.470418	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"760912"	1085.711018	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1611197"	377.229818	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"317952"	366.238847	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"707373"	543.359147	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1466388"	189.118547	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1058545"	126.41479	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1267878"	387.274086	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"386454"	747.444358	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"745262"	1101.684958	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1547315"	393.203758	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"308866"	374.225817	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"701291"	551.346117	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1458029"	197.105517	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"246994"	750.515026	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1218610"	396.274426	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1204680"	198.640851	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"196457"	753.45236	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"640391"	1107.69296	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1141709"	399.21176	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"183908"	377.229818	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"618002"	554.350118	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1126985"	200.109518	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1411237"	133.742104	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1440433"	401.253346	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"234512"	382.26284	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1522575"	415.30539	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"421897"	385.216788	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"784839"	562.337088	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1678492"	208.096488	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"261731"	772.496968	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1240519"	418.256368	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1720046"	418.279893	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1191959"	141.069418	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1665383"	423.235288	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"172242"	785.40024	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"602809"	1139.64084	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1088415"	431.15964	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"144138"	393.203758	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"584426"	570.324058	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1078051"	216.083458	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1110167"	433.174192	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1341448"	433.261807	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1013989"	437.300976	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1538922"	438.294608	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"1001847"	219.154126	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1600723"	439.209228	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1414717"	469.240738	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1162146"	239.667401	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1706226"	486.267285	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1647346"	491.22268	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1585183"	507.19662	"C05959"	"11-epi-Prostaglandin F2alpha;11-epi-Prostaglandin F2a;11-epi-PGF2alpha;11-epi-PGF2a"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"815431"	352.225	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M"	0
"986898"	333.20661	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"74047"	233.809390666667	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"511420"	351.217724	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"889221"	116.401057333333	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"5610"	351.217724	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"447358"	527.330224	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"824066"	175.105224	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"86246"	703.442724	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"523620"	1055.667724	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"903609"	351.217724	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"54702"	720.469271	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"494262"	1072.694271	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"866960"	368.244271	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"41059"	725.424666	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"485723"	1077.649666	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"861339"	373.199666	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1629049"	373.199666	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"100112"	369.206063	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"540763"	545.318563	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"930998"	193.093563	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"276116"	739.419402	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"660886"	1091.644402	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1276569"	387.194402	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"23505"	741.398606	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"463066"	1093.623606	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"838680"	389.173606	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1558280"	389.173606	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"948961"	397.223194	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"372643"	749.448201	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"355432"	763.463851	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1500256"	411.238851	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"969620"	419.205151	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"116704"	387.194402	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"554806"	563.306902	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1024699"	211.081902	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1244275"	431.143885	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1307818"	433.199872	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1322035"	455.181829	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"915281"	465.210586	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1290896"	501.187264	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1369061"	317.212324	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1384004"	335.2223	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"288430"	705.457276	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"687412"	1057.682276	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1360482"	353.232276	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H"	1.007276
"136651"	353.232276	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"579857"	529.344776	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1047197"	177.119776	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"219473"	235.823942666667	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"654659"	353.232276	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1169505"	118.415609333333	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"431683"	722.483823	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"791586"	1074.708823	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1683543"	370.258823	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"332915"	361.7455495	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"734087"	537.8580495	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1481349"	185.6330495	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"394560"	727.439218	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"756648"	1079.664218	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1604746"	375.214218	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"315148"	364.223247	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"707486"	540.335747	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1466502"	188.110747	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1057563"	125.742923333333	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1269083"	385.258486	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"383282"	743.413158	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"743183"	1095.638158	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1553993"	391.188158	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+K"	38.963158
"312261"	372.210217	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"703592"	548.322717	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1451943"	196.097717	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"236536"	746.483826	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1212161"	394.258826	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1199324"	197.633051	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"195474"	749.42116	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"636129"	1101.64616	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1138544"	397.19616	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"177459"	375.214218	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"622492"	551.326718	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1124905"	199.101718	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1413171"	133.070237333333	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1442741"	399.237746	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"230245"	380.24724	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1523047"	413.28979	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"422004"	383.201188	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"784454"	559.313688	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1678600"	207.088688	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"259653"	768.465768	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1235642"	416.240768	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1723435"	416.264293	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1186602"	140.397551333333	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1655404"	421.219688	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"160079"	781.36904	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"604013"	1133.59404	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1086699"	429.14404	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"143518"	391.188158	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"592557"	567.300658	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1074881"	215.075658	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1103717"	431.158592	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1351166"	431.246207	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1019328"	435.285376	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1539360"	436.279008	"C05960"	"15-Keto-prostaglandin F2alpha;15-Keto-prostaglandin F2a;15-Keto-PGF2alpha;15-Keto-PGF2a"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
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"246122"	782.504826	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"2M+ACN+H"	42.033826
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"622602"	578.342468	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"3M+2Na"	45.978436
"1125015"	208.106968	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+2Na"	45.978436
"1412914"	139.073737333333	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+H+2Na"	46.985712
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"259763"	804.486768	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"2M+ACN+Na"	64.015768
"1238304"	434.251268	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+ACN+Na"	64.015768
"1726825"	434.274793	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+NH4+HCOOH"	64.039293
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"159094"	817.39004	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"2M+2K-H"	76.91904
"604123"	1187.62554	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"3M+2K-H"	76.91904
"1086812"	447.15454	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+2K-H"	76.91904
"146544"	409.198658	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"2M+2K"	77.926316
"593760"	594.316408	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"3M+2K"	77.926316
"1081551"	224.080908	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+2K"	77.926316
"1107107"	449.169092	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+2K+H"	78.933592
"1346773"	449.256707	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+DMSO+H"	79.021207
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"1418952"	485.235638	"C05961"	"6-Keto-prostaglandin F1alpha;6-Keto-prostaglandin F1a;6-Keto-PGF1alpha;6-Keto-PGF1a"	"C20H34O6"	"370.2355"	"M+H+CF3COOH"	115.000138
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"805926"	368.2199	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M"	0
"986025"	349.20151	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-H2O-H"	-19.01839
"65520"	244.472657333333	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M-3H"	-3.021828
"508360"	367.212624	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M-3H"	-3.021828
"886161"	121.732690666667	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-3H"	-3.021828
"4736"	367.212624	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M-2H"	-2.014552
"449765"	551.322574	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M-2H"	-2.014552
"824286"	183.102674	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-2H"	-2.014552
"87560"	735.432524	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M-H"	-1.007276
"528215"	1103.652424	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M-H"	-1.007276
"906016"	367.212624	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-H"	-1.007276
"52736"	752.459071	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M-2H+NH4"	16.019271
"494482"	1120.678971	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M-2H+NH4"	16.019271
"872282"	384.239171	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-2H+NH4"	16.019271
"37999"	757.414466	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M-2H+Na"	20.974666
"484121"	1125.634366	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M-2H+Na"	20.974666
"859737"	389.194566	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-2H+Na"	20.974666
"1629271"	389.194566	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Na-2H"	20.974666
"99241"	385.200963	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M-H+Cl"	33.962126
"543171"	569.310913	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M-H+Cl"	33.962126
"931219"	201.091013	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-H+Cl"	33.962126
"273056"	771.409202	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+Cl"	34.969402
"663293"	1139.629102	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+Cl"	34.969402
"1276788"	403.189302	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Cl"	34.969402
"23725"	773.388406	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M-2H+K"	36.948606
"464379"	1141.608306	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M-2H+K"	36.948606
"845460"	405.168506	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-2H+K"	36.948606
"1562389"	405.168506	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+K-2H"	36.948606
"950275"	413.218094	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-H+HCOOH"	44.998194
"368492"	781.438001	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+HCOOH-H"	44.998201
"356746"	795.453651	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+Hac-H"	59.013851
"1502299"	427.233751	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Hac-H"	59.013851
"965467"	435.200051	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-H+NaCOOH"	66.980151
"115831"	403.189302	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+2Cl"	69.938804
"558306"	587.299252	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+2Cl"	69.938804
"1027106"	219.079352	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2Cl"	69.938804
"1242674"	447.138785	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Br"	78.918885
"1306943"	449.194772	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Cl+HCOOH"	80.974872
"1320793"	471.176729	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Cl+NaCOOH"	102.956829
"913310"	481.205486	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M-H+CF3COOH"	112.985586
"1290023"	517.182164	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Cl+CF3COOH"	148.962264
"1370374"	333.207224	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H-2H2O"	-35.012676
"1386775"	351.2172	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H-H2O"	-17.0027
"285370"	737.447076	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+H"	1.007276
"684352"	1105.666976	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+H"	1.007276
"1360702"	369.227176	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H"	1.007276
"139061"	369.227176	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+2H"	2.014552
"579713"	553.337126	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+2H"	2.014552
"1048511"	185.117226	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2H"	2.014552
"215318"	246.487209333333	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+3H"	3.021828
"650504"	369.227176	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+3H"	3.021828
"1170817"	123.747242666667	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+3H"	3.021828
"432998"	754.473623	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+NH4"	18.033823
"790713"	1122.693523	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+NH4"	18.033823
"1687041"	386.253723	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+NH4"	18.033823
"334228"	377.7404495	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+H+NH4"	19.041099
"736494"	561.8503995	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+H+NH4"	19.041099
"1482662"	193.6304995	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H+NH4"	19.041099
"398061"	759.429018	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+Na"	22.989218
"759056"	1127.648918	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+Na"	22.989218
"1611528"	391.209118	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Na"	22.989218
"323754"	380.218147	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+H+Na"	23.996494
"716175"	564.328097	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+H+Na"	23.996494
"1465628"	196.108197	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H+Na"	23.996494
"1057783"	131.074556666667	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2H+Na"	25.00377
"1263835"	401.253386	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+CH3OH+H"	33.033486
"384595"	775.402958	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+K"	38.963158
"743403"	1143.622858	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+K"	38.963158
"1544365"	407.183058	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+K"	38.963158
"311385"	388.205117	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+H+K"	39.970434
"701619"	572.315067	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+H+K"	39.970434
"1454350"	204.095167	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H+K"	39.970434
"244045"	778.473626	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+ACN+H"	42.033826
"1217848"	410.253726	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+ACN+H"	42.033826
"1205010"	205.630501	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+ACN+2H"	43.041102
"201888"	781.41096	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+2Na-H"	44.97116
"640721"	1149.63086	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+2Na-H"	44.97116
"1140950"	413.19106	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2Na-H"	44.97116
"182051"	391.209118	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+2Na"	45.978436
"622712"	575.319068	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+2Na"	45.978436
"1125125"	207.099168	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2Na"	45.978436
"1410472"	138.401870666667	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H+2Na"	46.985712
"1444420"	415.232646	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H+HCOOH"	47.012746
"231194"	396.24214	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+3H2O+2H"	56.04448
"1522173"	429.28469	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+IsoProp+H"	61.06479
"420766"	399.196088	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+Na+K"	61.952376
"782124"	583.306038	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+Na+K"	61.952376
"1677363"	215.086138	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Na+K"	61.952376
"257686"	800.455568	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+ACN+Na"	64.015768
"1232582"	432.235668	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+ACN+Na"	64.015768
"1720375"	432.259193	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+NH4+HCOOH"	64.039293
"1186822"	145.729184666667	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+3Na"	68.967654
"1653799"	437.214588	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Na+HCOOH"	68.994688
"158840"	813.35884	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+2K-H"	76.91904
"602046"	1181.57874	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+2K-H"	76.91904
"1086190"	445.13894	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2K-H"	76.91904
"146654"	407.183058	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"2M+2K"	77.926316
"593870"	591.293008	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"3M+2K"	77.926316
"1078381"	223.073108	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2K"	77.926316
"1107217"	447.153492	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2K+H"	78.933592
"1346883"	447.241107	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+DMSO+H"	79.021207
"1018454"	451.280276	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2ACN+H"	83.060376
"1536824"	452.273908	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+IsoProp+Na+H"	84.054008
"996709"	226.143776	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+2ACN+2H"	84.067652
"1587686"	453.188528	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+K+HCOOH"	84.968628
"1419062"	483.220038	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+H+CF3COOH"	115.000138
"1154819"	246.657051	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+3ACN+2H"	125.094202
"1698537"	500.246585	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+NH4+CF3COOH"	132.026685
"1641113"	505.20198	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+Na+CF3COOH"	136.98208
"1585513"	521.17592	"C05962"	"6-Keto-prostaglandin E1;6-Keto-PGE1"	"C20H32O6"	"368.2199"	"M+K+CF3COOH"	152.95602
"806036"	370.2355	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M"	0
"985771"	351.21711	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-H2O-H"	-19.01839
"71098"	245.816390666667	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M-3H"	-3.021828
"509564"	369.228224	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M-3H"	-3.021828
"887364"	122.404557333333	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-3H"	-3.021828
"3753"	369.228224	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M-2H"	-2.014552
"449876"	554.345974	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M-2H"	-2.014552
"824395"	184.110474	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-2H"	-2.014552
"84390"	739.463724	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M-H"	-1.007276
"528325"	1109.699224	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M-H"	-1.007276
"902846"	369.228224	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-H"	-1.007276
"56128"	756.490271	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M-2H+NH4"	16.019271
"493499"	1126.725771	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M-2H+NH4"	16.019271
"870206"	386.254771	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-2H+NH4"	16.019271
"40297"	761.445666	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M-2H+Na"	20.974666
"479858"	1131.681166	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M-2H+Na"	20.974666
"857660"	391.210166	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-2H+Na"	20.974666
"1630475"	391.210166	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Na-2H"	20.974666
"103724"	387.216563	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M-H+Cl"	33.962126
"538908"	572.334313	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M-H+Cl"	33.962126
"932425"	202.098813	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-H+Cl"	33.962126
"276447"	775.440402	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+Cl"	34.969402
"663403"	1145.675902	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+Cl"	34.969402
"1275805"	405.204902	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Cl"	34.969402
"26024"	777.419606	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M-2H+K"	36.948606
"461210"	1147.655106	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M-2H+K"	36.948606
"834029"	407.184106	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-2H+K"	36.948606
"1564689"	407.184106	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+K-2H"	36.948606
"952572"	415.233694	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-H+HCOOH"	44.998194
"368602"	785.469201	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+HCOOH-H"	44.998201
"354671"	799.484851	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+Hac-H"	59.013851
"1502411"	429.249351	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Hac-H"	59.013851
"965578"	437.215651	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-H+NaCOOH"	66.980151
"114119"	405.204902	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+2Cl"	69.938804
"562792"	590.322652	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+2Cl"	69.938804
"1030497"	220.087152	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2Cl"	69.938804
"1246794"	449.154385	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Br"	78.918885
"1305959"	451.210372	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Cl+HCOOH"	80.974872
"1323456"	473.192329	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Cl+NaCOOH"	102.956829
"913784"	483.221086	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M-H+CF3COOH"	112.985586
"1289768"	519.197764	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Cl+CF3COOH"	148.962264
"1373766"	335.222824	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H-2H2O"	-35.012676
"1386888"	353.2328	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H-H2O"	-17.0027
"290948"	741.478276	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+H"	1.007276
"684463"	1111.713776	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+H"	1.007276
"1362636"	371.242776	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H"	1.007276
"137349"	371.242776	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+2H"	2.014552
"578368"	556.360526	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+2H"	2.014552
"1051542"	186.125026	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2H"	2.014552
"216523"	247.830942666667	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+3H"	3.021828
"652801"	371.242776	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+3H"	3.021828
"1169834"	124.419109333333	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+3H"	3.021828
"434567"	758.504823	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+NH4"	18.033823
"790821"	1128.740323	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+NH4"	18.033823
"1686058"	388.269323	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+NH4"	18.033823
"335431"	379.7560495	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+H+NH4"	19.041099
"735512"	564.8737995	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+H+NH4"	19.041099
"1482775"	194.6382995	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H+NH4"	19.041099
"399267"	763.460218	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+Na"	22.989218
"766822"	1133.695718	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+Na"	22.989218
"1613826"	393.224718	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Na"	22.989218
"328238"	382.233747	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+H+Na"	23.996494
"718472"	567.351497	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+H+Na"	23.996494
"1463918"	197.115997	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H+Na"	23.996494
"1055706"	131.746423333333	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2H+Na"	25.00377
"1261757"	403.268986	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+CH3OH+H"	33.033486
"383611"	779.434158	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+K"	38.963158
"742783"	1149.669658	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+K"	38.963158
"1547751"	409.198658	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+K"	38.963158
"307114"	390.220717	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+H+K"	39.970434
"701729"	575.338467	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+H+K"	39.970434
"1452273"	205.102967	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H+K"	39.970434
"240874"	782.504826	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+ACN+H"	42.033826
"1213584"	412.269326	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+ACN+H"	42.033826
"1200746"	206.638301	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+ACN+2H"	43.041102
"195804"	785.44216	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+2Na-H"	44.97116
"636461"	1155.67766	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+2Na-H"	44.97116
"1139967"	415.20666	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2Na-H"	44.97116
"181068"	393.224718	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+2Na"	45.978436
"623916"	578.342468	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+2Na"	45.978436
"1131203"	208.106968	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2Na"	45.978436
"1413019"	139.073737333333	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H+2Na"	46.985712
"1445226"	417.248246	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H+HCOOH"	47.012746
"228390"	398.25774	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+3H2O+2H"	56.04448
"1516450"	431.30029	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+IsoProp+H"	61.06479
"419782"	401.211688	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+Na+K"	61.952376
"781505"	586.329438	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+Na+K"	61.952376
"1679295"	216.093938	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Na+K"	61.952376
"262535"	804.486768	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+ACN+Na"	64.015768
"1233422"	434.251268	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+ACN+Na"	64.015768
"1723401"	434.274793	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+NH4+HCOOH"	64.039293
"1189849"	146.401051333333	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+3Na"	68.967654
"1655732"	439.230188	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Na+HCOOH"	68.994688
"158950"	817.39004	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+2K-H"	76.91904
"599604"	1187.62554	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+2K-H"	76.91904
"1088855"	447.15454	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2K-H"	76.91904
"153325"	409.198658	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"2M+2K"	77.926316
"593981"	594.316408	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"3M+2K"	77.926316
"1083883"	224.080908	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2K"	77.926316
"1107327"	449.169092	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2K+H"	78.933592
"1349790"	449.256707	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+DMSO+H"	79.021207
"1019536"	453.295876	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2ACN+H"	83.060376
"1538879"	454.289508	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+IsoProp+Na+H"	84.054008
"993538"	227.151576	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+2ACN+2H"	84.067652
"1593512"	455.204128	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+K+HCOOH"	84.968628
"1425734"	485.235638	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+H+CF3COOH"	115.000138
"1151649"	247.664851	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+3ACN+2H"	125.094202
"1707761"	502.262185	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+NH4+CF3COOH"	132.026685
"1645599"	507.21758	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+Na+CF3COOH"	136.98208
"1585623"	523.19152	"C05963"	"Thromboxane B2;TXB2"	"C20H34O6"	"370.2355"	"M+K+CF3COOH"	152.95602
"806146"	368.2199	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M"	0
"976395"	349.20151	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-H2O-H"	-19.01839
"71208"	244.472657333333	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M-3H"	-3.021828
"509674"	367.212624	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M-3H"	-3.021828
"886381"	121.732690666667	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-3H"	-3.021828
"3863"	367.212624	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M-2H"	-2.014552
"449986"	551.322574	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M-2H"	-2.014552
"824505"	183.102674	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-2H"	-2.014552
"84500"	735.432524	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M-H"	-1.007276
"527342"	1103.652424	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M-H"	-1.007276
"901863"	367.212624	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-H"	-1.007276
"57332"	752.459071	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M-2H+NH4"	16.019271
"492518"	1120.678971	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M-2H+NH4"	16.019271
"870316"	384.239171	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-2H+NH4"	16.019271
"39314"	757.414466	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M-2H+Na"	20.974666
"478875"	1125.634366	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M-2H+Na"	20.974666
"856677"	389.194566	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-2H+Na"	20.974666
"1627304"	389.194566	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Na-2H"	20.974666
"99459"	385.200963	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M-H+Cl"	33.962126
"539020"	569.310913	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M-H+Cl"	33.962126
"941889"	201.091013	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-H+Cl"	33.962126
"276557"	771.409202	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+Cl"	34.969402
"673353"	1139.629102	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+Cl"	34.969402
"1281382"	403.189302	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Cl"	34.969402
"20667"	773.388406	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M-2H+K"	36.948606
"458041"	1141.608306	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M-2H+K"	36.948606
"833283"	405.168506	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-2H+K"	36.948606
"1564799"	405.168506	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+K-2H"	36.948606
"952682"	413.218094	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-H+HCOOH"	44.998194
"370899"	781.438001	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+HCOOH-H"	44.998201
"351865"	795.453651	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+Hac-H"	59.013851
"1504707"	427.233751	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Hac-H"	59.013851
"971153"	435.200051	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-H+NaCOOH"	66.980151
"114959"	403.189302	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+2Cl"	69.938804
"561808"	587.299252	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+2Cl"	69.938804
"1030607"	219.079352	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2Cl"	69.938804
"1252372"	447.138785	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Br"	78.918885
"1306436"	449.194772	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Cl+HCOOH"	80.974872
"1323932"	471.176729	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Cl+NaCOOH"	102.956829
"913530"	481.205486	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M-H+CF3COOH"	112.985586
"1290971"	517.182164	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Cl+CF3COOH"	148.962264
"1377156"	333.207224	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H-2H2O"	-35.012676
"1386998"	351.2172	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H-H2O"	-17.0027
"291058"	737.447076	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+H"	1.007276
"687125"	1105.666976	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+H"	1.007276
"1363112"	369.227176	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H"	1.007276
"132719"	369.227176	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+2H"	2.014552
"577383"	553.337126	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+2H"	2.014552
"1050801"	185.117226	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2H"	2.014552
"216269"	246.487209333333	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+3H"	3.021828
"650724"	369.227176	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+3H"	3.021828
"1172130"	123.747242666667	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+3H"	3.021828
"429937"	754.473623	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+NH4"	18.033823
"792026"	1122.693523	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+NH4"	18.033823
"1685076"	386.253723	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+NH4"	18.033823
"334083"	377.7404495	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+H+NH4"	19.041099
"735622"	561.8503995	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+H+NH4"	19.041099
"1481791"	193.6304995	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H+NH4"	19.041099
"401565"	759.429018	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+Na"	22.989218
"768027"	1127.648918	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+Na"	22.989218
"1613936"	391.209118	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Na"	22.989218
"326162"	380.218147	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+H+Na"	23.996494
"716395"	564.328097	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+H+Na"	23.996494
"1464392"	196.108197	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H+Na"	23.996494
"1056910"	131.074556666667	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2H+Na"	25.00377
"1261869"	401.253386	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+CH3OH+H"	33.033486
"379347"	775.402958	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+K"	38.963158
"742528"	1143.622858	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+K"	38.963158
"1547859"	407.183058	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+K"	38.963158
"307221"	388.205117	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+H+K"	39.970434
"698559"	572.315067	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+H+K"	39.970434
"1446309"	204.095167	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H+K"	39.970434
"238068"	778.473626	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+ACN+H"	42.033826
"1212601"	410.253726	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+ACN+H"	42.033826
"1200856"	205.630501	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+ACN+2H"	43.041102
"195914"	781.41096	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+2Na-H"	44.97116
"636569"	1149.63086	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+2Na-H"	44.97116
"1135700"	413.19106	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2Na-H"	44.97116
"176803"	391.209118	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+2Na"	45.978436
"622932"	575.319068	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+2Na"	45.978436
"1131221"	207.099168	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2Na"	45.978436
"1413659"	138.401870666667	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H+2Na"	46.985712
"1445254"	415.232646	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H+HCOOH"	47.012746
"231780"	396.24214	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+3H2O+2H"	56.04448
"1519842"	429.28469	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+IsoProp+H"	61.06479
"418433"	399.196088	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+Na+K"	61.952376
"781251"	583.306038	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+Na+K"	61.952376
"1679405"	215.086138	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Na+K"	61.952376
"263373"	800.455568	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+ACN+Na"	64.015768
"1235353"	432.235668	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+ACN+Na"	64.015768
"1721685"	432.259193	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+NH4+HCOOH"	64.039293
"1184855"	145.729184666667	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+3Na"	68.967654
"1659121"	437.214588	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Na+HCOOH"	68.994688
"165987"	813.35884	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+2K-H"	76.91904
"602266"	1181.57874	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+2K-H"	76.91904
"1096620"	445.13894	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2K-H"	76.91904
"150157"	407.183058	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"2M+2K"	77.926316
"594090"	591.293008	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"3M+2K"	77.926316
"1081882"	223.073108	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2K"	77.926316
"1107437"	447.153492	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2K+H"	78.933592
"1349291"	447.241107	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+DMSO+H"	79.021207
"1020618"	451.280276	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2ACN+H"	83.060376
"1539595"	452.273908	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+IsoProp+Na+H"	84.054008
"994740"	226.143776	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+2ACN+2H"	84.067652
"1589248"	453.188528	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+K+HCOOH"	84.968628
"1425845"	483.220038	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+H+CF3COOH"	115.000138
"1155039"	246.657051	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+3ACN+2H"	125.094202
"1708965"	500.246585	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+NH4+CF3COOH"	132.026685
"1647896"	505.20198	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+Na+CF3COOH"	136.98208
"1585733"	521.17592	"C05964"	"11-Dehydro-thromboxane B2"	"C20H32O6"	"368.2199"	"M+K+CF3COOH"	152.95602
"806256"	336.2301	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M"	0
"977598"	317.21171	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"74593"	223.146124	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"507591"	335.222824	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"889772"	111.069424	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"6160"	335.222824	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"446816"	503.337874	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"824615"	167.107774	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"84610"	671.452924	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"526359"	1007.683024	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"900880"	335.222824	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"54163"	688.479471	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"492628"	1024.709571	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"868240"	352.249371	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"35048"	693.434866	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"478985"	1029.664966	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"855694"	357.204766	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1626320"	357.204766	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"105036"	353.211163	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"547877"	521.326213	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"941391"	185.096113	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"276667"	707.429602	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"670183"	1043.659702	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1277119"	371.199502	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"22964"	709.408806	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"460338"	1045.638906	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"835951"	373.178706	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1562722"	373.178706	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"952792"	381.228294	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"369914"	717.458401	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"351611"	731.474051	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1505909"	395.243951	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"972356"	403.210251	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"121265"	371.199502	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"560825"	539.314552	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1032904"	203.084452	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1254669"	415.148985	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1307275"	417.204972	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1323678"	439.186929	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"913640"	449.215686	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1291810"	485.192364	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1378359"	301.217424	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1388201"	319.2274	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"294448"	673.467476	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"688695"	1009.697576	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1364681"	337.237376	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"139029"	337.237376	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"578589"	505.352426	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1050668"	169.122326	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"216379"	225.160676	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"654844"	337.237376	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1175519"	113.083976	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"435514"	690.494023	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"794322"	1026.724123	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1688465"	354.263923	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"334558"	345.7506495	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"734276"	513.8656995	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1482996"	177.6355995	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"401675"	695.449418	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"768872"	1031.679518	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1614047"	359.219318	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"325180"	348.228347	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"717964"	516.343397	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1462799"	180.113297	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1057384"	120.41129	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1264166"	369.263586	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"378364"	711.423358	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"740816"	1047.653458	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1545783"	375.193258	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"304052"	356.215317	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"699762"	524.330367	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1447391"	188.100267	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"238909"	714.494026	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1212709"	378.263926	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1195866"	189.635601	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"194931"	717.43136	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"632307"	1053.66146	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1137997"	381.20126	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"178007"	359.219318	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"621583"	527.334368	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1131210"	191.104268	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1414012"	127.738604	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1445285"	383.242846	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"232619"	364.25234	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1519952"	397.29489	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"417450"	367.206288	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"783185"	535.321338	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1676964"	199.091238	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"263483"	736.475968	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1234369"	400.245868	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1719609"	400.269393	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1184965"	135.065918	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1654858"	405.224788	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"167190"	749.37924	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"604563"	1085.60934	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1096730"	413.14914	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"150267"	375.193258	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"594200"	543.308308	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1081992"	207.078208	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1107547"	415.163692	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1349401"	415.251307	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1020849"	419.290476	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1536057"	420.284108	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"995944"	210.148876	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1588263"	421.198728	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1421581"	451.230238	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1151868"	230.662151	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1711262"	468.256785	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1645819"	473.21218	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1585843"	489.18612	"C05965"	"12(S)-HPETE;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroperoxyicosa-581014-tetraenoate;12-Hydroperoxyeicosatetraenoate;12-Hydroperoxyicosatetraenoate;12-Hydroperoxyeicosatetraenoic acid;12-Hydroperoxyicosatetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"806366"	336.2301	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M"	0
"975885"	317.21171	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"74703"	223.146124	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"506607"	335.222824	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"888788"	111.069424	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"4084"	335.222824	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"445828"	503.337874	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"821446"	167.107774	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"83627"	671.452924	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"523190"	1007.683024	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"900990"	335.222824	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"52087"	688.479471	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"491645"	1024.709571	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"865435"	352.249371	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"32973"	693.434866	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"479095"	1029.664966	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"855804"	357.204766	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1626430"	357.204766	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"104053"	353.211163	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"547866"	521.326213	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"941016"	185.096113	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"276777"	707.429602	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"672480"	1043.659702	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1277229"	371.199502	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"24166"	709.408806	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"463728"	1045.638906	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"839341"	373.178706	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1565018"	373.178706	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"948527"	381.228294	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"364189"	717.458401	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"351720"	731.474051	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1499458"	395.243951	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"968092"	403.210251	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"121373"	371.199502	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"564213"	539.314552	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1033013"	203.084452	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1251496"	415.148985	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1306291"	417.204972	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1321599"	439.186929	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"911805"	449.215686	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1290463"	485.192364	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1377376"	301.217424	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1388311"	319.2274	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"294194"	673.467476	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"689533"	1009.697576	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1364791"	337.237376	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"138775"	337.237376	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"578699"	505.352426	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1049320"	169.122326	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"217218"	225.160676	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"654226"	337.237376	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1176849"	113.083976	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"436718"	690.494023	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"793339"	1026.724123	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1688575"	354.263923	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"335762"	345.7506495	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"734386"	513.8656995	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1482013"	177.6355995	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"406160"	695.449418	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"768983"	1031.679518	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1614521"	359.219318	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"326747"	348.228347	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"718803"	516.343397	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1462059"	180.113297	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1056401"	120.41129	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1264276"	369.263586	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"378475"	711.423358	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"740562"	1047.653458	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1543709"	375.193258	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"301977"	356.215317	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"698415"	524.330367	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1447134"	188.100267	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"238286"	714.494026	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1210998"	378.263926	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1194517"	189.635601	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"193946"	717.43136	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"636785"	1053.66146	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1135920"	381.20126	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"174836"	359.219318	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"620965"	527.334368	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1130556"	191.104268	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1413348"	127.738604	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1445355"	383.242846	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"231999"	364.25234	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1520062"	397.29489	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"417560"	367.206288	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"782564"	535.321338	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1675979"	199.091238	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"263593"	736.475968	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1234114"	400.245868	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1720813"	400.269393	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1185075"	135.065918	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1654968"	405.224788	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"158552"	749.37924	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"604673"	1085.60934	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1095746"	413.14914	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"149284"	375.193258	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"593217"	543.308308	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1078822"	207.078208	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1105469"	415.163692	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1347324"	415.251307	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1018043"	419.290476	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1537260"	420.284108	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"993868"	210.148876	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1587522"	421.198728	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1421691"	451.230238	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1148698"	230.662151	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1711372"	468.256785	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1645929"	473.21218	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1585953"	489.18612	"C05966"	"15(S)-HPETE;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoic acid;15-Hydroperoxyeicosatetraenoate;15-Hydroperoxyicosatetraenoate;15-Hydroperoxyeicosatetraenoic acid;15-Hydroperoxyicosatetraenoic acid;(5Z8Z11Z13E)-(15S)-15-Hydroperoxyicosa-581113-tetraenoate"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"809766"	60.0575	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M"	0
"980019"	41.03911	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-H2O-H"	-19.01839
"69355"	39.0310573333333	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M-3H"	-3.021828
"510009"	59.050224	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M-3H"	-3.021828
"884530"	19.0118906666667	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-3H"	-3.021828
"4198"	59.050224	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M-2H"	-2.014552
"444853"	89.078974	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M-2H"	-2.014552
"822655"	29.021474	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-2H"	-2.014552
"82646"	119.107724	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M-H"	-1.007276
"525488"	179.165224	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M-H"	-1.007276
"897822"	59.050224	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-H"	-1.007276
"54381"	136.134271	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M-2H+NH4"	16.019271
"496134"	196.191771	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M-2H+NH4"	16.019271
"875029"	76.076771	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-2H+NH4"	16.019271
"39649"	141.089666	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M-2H+Na"	20.974666
"475928"	201.147166	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M-2H+Na"	20.974666
"858102"	81.032166	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-2H+Na"	20.974666
"1625448"	81.032166	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Na-2H"	20.974666
"96511"	77.038563	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M-H+Cl"	33.962126
"542634"	107.067313	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M-H+Cl"	33.962126
"933971"	47.009813	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-H+Cl"	33.962126
"270340"	155.084402	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+Cl"	34.969402
"662761"	215.141902	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+Cl"	34.969402
"1274434"	95.026902	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Cl"	34.969402
"19908"	157.063606	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M-2H+K"	36.948606
"458010"	217.121106	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M-2H+K"	36.948606
"836176"	97.006106	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-2H+K"	36.948606
"1560757"	97.006106	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+K-2H"	36.948606
"949731"	105.055694	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-H+HCOOH"	44.998194
"365758"	165.113201	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+HCOOH-H"	44.998201
"350007"	179.128851	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+Hac-H"	59.013851
"1496649"	119.071351	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Hac-H"	59.013851
"969294"	127.037651	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-H+NaCOOH"	66.980151
"110916"	95.026902	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+2Cl"	69.938804
"550477"	125.055652	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+2Cl"	69.938804
"1029853"	64.998152	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2Cl"	69.938804
"1246879"	138.976385	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Br"	78.918885
"1307141"	141.032372	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Cl+HCOOH"	80.974872
"1326097"	163.014329	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Cl+NaCOOH"	102.956829
"915695"	173.043086	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M-H+CF3COOH"	112.985586
"1294956"	209.019764	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Cl+CF3COOH"	148.962264
"1371295"	25.044824	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H-2H2O"	-35.012676
"1387698"	43.0548	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H-H2O"	-17.0027
"285197"	121.122276	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+H"	1.007276
"679074"	181.179776	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+H"	1.007276
"1356880"	61.064776	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H"	1.007276
"133051"	61.064776	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+2H"	2.014552
"571519"	91.093526	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+2H"	2.014552
"1049433"	31.036026	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2H"	2.014552
"213686"	41.0456093333333	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+3H"	3.021828
"653249"	61.064776	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+3H"	3.021828
"1173562"	21.0264426666667	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+3H"	3.021828
"433556"	138.148823	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+NH4"	18.033823
"787993"	198.206323	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+NH4"	18.033823
"1683231"	78.091323	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+NH4"	18.033823
"340254"	69.5780495	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+H+NH4"	19.041099
"730488"	99.6067995	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+H+NH4"	19.041099
"1479936"	39.5492995	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H+NH4"	19.041099
"397522"	143.104218	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+Na"	22.989218
"757428"	203.161718	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+Na"	22.989218
"1603576"	83.046718	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Na"	22.989218
"317749"	72.055747	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+H+Na"	23.996494
"711263"	102.084497	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+H+Na"	23.996494
"1466178"	42.026997	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H+Na"	23.996494
"1055415"	28.3537566666667	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2H+Na"	25.00377
"1260008"	93.090986	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+CH3OH+H"	33.033486
"379314"	159.078158	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+K"	38.963158
"742135"	219.135658	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+K"	38.963158
"1547107"	99.020658	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+K"	38.963158
"302461"	80.042717	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+H+K"	39.970434
"694152"	110.071467	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+H+K"	39.970434
"1450525"	50.013967	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H+K"	39.970434
"241313"	162.148826	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+ACN+H"	42.033826
"1212927"	102.091326	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+ACN+H"	42.033826
"1197904"	51.549301	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+ACN+2H"	43.041102
"189684"	165.08616	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+2Na-H"	44.97116
"644204"	225.14366	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+2Na-H"	44.97116
"1144428"	105.02866	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2Na-H"	44.97116
"185898"	83.046718	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+2Na"	45.978436
"627160"	113.075468	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+2Na"	45.978436
"1128722"	53.017968	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2Na"	45.978436
"1412001"	35.6810706666667	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H+2Na"	46.985712
"1445463"	107.070246	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H+HCOOH"	47.012746
"233692"	88.07974	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+3H2O+2H"	56.04448
"1522116"	121.12229	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+IsoProp+H"	61.06479
"422045"	91.033688	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+Na+K"	61.952376
"780852"	121.062438	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+Na+K"	61.952376
"1673903"	61.004938	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Na+K"	61.952376
"257143"	184.130768	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+ACN+Na"	64.015768
"1235321"	124.073268	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+ACN+Na"	64.015768
"1719830"	124.096793	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+NH4+HCOOH"	64.039293
"1185184"	43.0083846666667	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+3Na"	68.967654
"1652164"	129.052188	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Na+HCOOH"	68.994688
"161943"	197.03404	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+2K-H"	76.91904
"608064"	257.09154	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+2K-H"	76.91904
"1091483"	136.97654	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2K-H"	76.91904
"145020"	99.020658	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"2M+2K"	77.926316
"586769"	129.049408	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"3M+2K"	77.926316
"1070187"	68.991908	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2K"	77.926316
"1104493"	138.991092	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2K+H"	78.933592
"1338691"	139.078707	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+DMSO+H"	79.021207
"1006490"	143.117876	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2ACN+H"	83.060376
"1527534"	144.111508	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+IsoProp+Na+H"	84.054008
"990823"	72.062576	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+2ACN+2H"	84.067652
"1588486"	145.026128	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+K+HCOOH"	84.968628
"1421800"	175.057638	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+H+CF3COOH"	115.000138
"1153184"	92.575851	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+3ACN+2H"	125.094202
"1706015"	192.084185	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+NH4+CF3COOH"	132.026685
"1638386"	197.03958	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+Na+CF3COOH"	136.98208
"1577318"	213.01352	"C05979"	"Propane-1-ol;Propanol;1-Propanol;Propan-1-ol;Propyl alcohol;1-Hydroxypropane;Ethylcarbinol;n-Propanol;n-Propyl alcohol;Optal;Osmosol extra;UN 1274"	"C3H8O"	"60.0575"	"M+K+CF3COOH"	152.95602
"806592"	403.0893	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M"	0
"976847"	384.07091	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-H2O-H"	-19.01839
"70556"	267.718924	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M-3H"	-3.021828
"507930"	402.082024	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M-3H"	-3.021828
"884639"	133.355824	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-3H"	-3.021828
"8681"	402.082024	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M-2H"	-2.014552
"442776"	603.626674	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M-2H"	-2.014552
"822764"	200.537374	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-2H"	-2.014552
"82755"	805.171324	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M-H"	-1.007276
"522317"	1208.260624	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M-H"	-1.007276
"900120"	402.082024	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-H"	-1.007276
"58871"	822.197871	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M-2H+NH4"	16.019271
"498067"	1225.287171	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M-2H+NH4"	16.019271
"871859"	419.108571	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-2H+NH4"	16.019271
"33439"	827.153266	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M-2H+Na"	20.974666
"473121"	1230.242566	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M-2H+Na"	20.974666
"848894"	424.063966	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-2H+Na"	20.974666
"1625564"	424.063966	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Na-2H"	20.974666
"101004"	420.070363	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M-H+Cl"	33.962126
"544940"	621.615013	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M-H+Cl"	33.962126
"935175"	218.525713	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-H+Cl"	33.962126
"279199"	841.148002	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+Cl"	34.969402
"663966"	1244.237302	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+Cl"	34.969402
"1277461"	438.058702	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Cl"	34.969402
"20018"	843.127206	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M-2H+K"	36.948606
"458849"	1246.216506	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M-2H+K"	36.948606
"836287"	440.037906	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-2H+K"	36.948606
"1559046"	440.037906	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+K-2H"	36.948606
"945833"	448.087494	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-H+HCOOH"	44.998194
"365143"	851.176801	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+HCOOH-H"	44.998201
"347566"	865.192451	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+Hac-H"	59.013851
"1498591"	462.103151	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Hac-H"	59.013851
"963943"	470.069451	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-H+NaCOOH"	66.980151
"112486"	438.058702	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+2Cl"	69.938804
"556790"	639.603352	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+2Cl"	69.938804
"1027047"	236.514052	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2Cl"	69.938804
"1245895"	482.008185	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Br"	78.918885
"1307249"	484.064172	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Cl+HCOOH"	80.974872
"1326569"	506.046129	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Cl+NaCOOH"	102.956829
"918357"	516.074886	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M-H+CF3COOH"	112.985586
"1289961"	552.051564	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Cl+CF3COOH"	148.962264
"1371404"	368.076624	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H-2H2O"	-35.012676
"1383797"	386.0866	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H-H2O"	-17.0027
"288589"	807.185876	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+H"	1.007276
"687209"	1210.275176	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+H"	1.007276
"1356997"	404.096576	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H"	1.007276
"133167"	404.096576	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+2H"	2.014552
"572728"	605.641226	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+2H"	2.014552
"1044808"	202.551926	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2H"	2.014552
"214899"	269.733476	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+3H"	3.021828
"647898"	404.096576	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+3H"	3.021828
"1167115"	135.370376	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+3H"	3.021828
"428197"	824.212423	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+NH4"	18.033823
"791381"	1227.301723	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+NH4"	18.033823
"1685522"	421.123123	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+NH4"	18.033823
"332706"	412.6098495	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+H+NH4"	19.041099
"727680"	614.1544995	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+H+NH4"	19.041099
"1483334"	211.0651995	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H+NH4"	19.041099
"397637"	829.167818	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+Na"	22.989218
"756444"	1232.257118	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+Na"	22.989218
"1606729"	426.078518	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Na"	22.989218
"317859"	415.087547	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+H+Na"	23.996494
"713561"	616.632197	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+H+Na"	23.996494
"1466286"	213.542897	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H+Na"	23.996494
"1055525"	142.69769	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2H+Na"	25.00377
"1258785"	436.122786	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+CH3OH+H"	33.033486
"387450"	845.141758	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+K"	38.963158
"744071"	1248.231058	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+K"	38.963158
"1543939"	442.052458	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+K"	38.963158
"299166"	423.074517	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+H+K"	39.970434
"694631"	624.619167	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+H+K"	39.970434
"1447358"	221.529867	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H+K"	39.970434
"237414"	848.212426	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+ACN+H"	42.033826
"1218517"	445.123126	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+ACN+H"	42.033826
"1207753"	223.065201	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+ACN+2H"	43.041102
"203790"	851.14976	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+2Na-H"	44.97116
"641397"	1254.23906	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+2Na-H"	44.97116
"1145635"	448.06046	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2Na-H"	44.97116
"186981"	426.078518	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+2Na"	45.978436
"619006"	627.623168	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+2Na"	45.978436
"1130412"	224.533868	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2Na"	45.978436
"1412232"	150.025004	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H+2Na"	46.985712
"1441430"	450.102046	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H+HCOOH"	47.012746
"232948"	431.11154	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+3H2O+2H"	56.04448
"1517732"	464.15409	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+IsoProp+H"	61.06479
"417783"	434.065488	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+Na+K"	61.952376
"775498"	635.610138	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+Na+K"	61.952376
"1668548"	232.520838	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Na+K"	61.952376
"255067"	870.194368	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+ACN+Na"	64.015768
"1239807"	467.105068	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+ACN+Na"	64.015768
"1717759"	467.128593	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+NH4+HCOOH"	64.039293
"1188582"	157.352318	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+3Na"	68.967654
"1663942"	472.083988	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Na+HCOOH"	68.994688
"169709"	883.09764	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+2K-H"	76.91904
"608177"	1286.18694	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+2K-H"	76.91904
"1095974"	480.00834	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2K-H"	76.91904
"156074"	442.052458	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"2M+2K"	77.926316
"590163"	643.597108	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"3M+2K"	77.926316
"1079420"	240.507808	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2K"	77.926316
"1111533"	482.022892	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2K+H"	78.933592
"1347554"	482.110507	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+DMSO+H"	79.021207
"1018273"	486.149676	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2ACN+H"	83.060376
"1536033"	487.143308	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+IsoProp+Na+H"	84.054008
"1003209"	243.578476	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+2ACN+2H"	84.067652
"1591878"	488.057928	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+K+HCOOH"	84.968628
"1416443"	518.089438	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+H+CF3COOH"	115.000138
"1156575"	264.091751	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+3ACN+2H"	125.094202
"1706125"	535.115985	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+NH4+CF3COOH"	132.026685
"1648340"	540.07138	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+Na+CF3COOH"	136.98208
"1574148"	556.04532	"C05983"	"Propionyladenylate;Propionyl-adenosine monophosphate"	"C13H18N5O8P"	"403.0893"	"M+K+CF3COOH"	152.95602
"806702"	104.0473	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M"	0
"976957"	85.02891	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"69573"	68.3575906666667	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"504761"	103.040024	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"885841"	33.6751573333333	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"6603"	103.040024	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"445072"	155.063674	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"822874"	51.016374	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"81770"	207.087324	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"522427"	311.134624	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"900230"	103.040024	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"57887"	224.113871	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"495260"	328.161171	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"870876"	120.066571	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"34522"	229.069266	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"475054"	333.116566	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"850913"	125.021966	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1625674"	125.021966	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"98928"	121.028363	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"549060"	173.052013	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"935285"	69.004713	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"279309"	243.064002	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"667356"	347.111302	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1274655"	139.016702	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"20129"	245.043206	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"460782"	349.090506	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"837856"	140.995906	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1560978"	140.995906	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"944850"	149.045494	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"367076"	253.092801	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"352416"	267.108451	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1499794"	163.061151	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"963325"	171.027451	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"112960"	139.016702	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"557993"	191.040352	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1028979"	86.993052	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1247463"	182.966185	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1308088"	185.022172	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1326315"	207.004129	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"919560"	217.032886	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1290071"	253.009564	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1374430"	69.034624	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1384634"	87.0446	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"288335"	209.101876	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"687319"	313.149176	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1360023"	105.054576	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"134371"	105.054576	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"573931"	157.078226	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1044918"	53.030926	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"217195"	70.3721426666667	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"649102"	105.054576	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1168318"	35.6897093333333	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"429401"	226.128423	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"793676"	330.175723	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1686726"	122.081123	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"335002"	113.5678495	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"727426"	165.5914995	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1477972"	61.5441995	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"398840"	231.083818	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"757647"	335.131118	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1603433"	127.036518	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"319426"	116.045547	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"711849"	168.069197	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1463235"	64.021897	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1056363"	43.0170233333333	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1259139"	137.080786	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"387560"	247.057758	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"743088"	351.105058	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1544049"	143.010458	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"300129"	124.032517	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"694741"	176.056167	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1447832"	72.008867	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"238618"	250.128426	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1218627"	146.081126	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1208349"	73.544201	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"201581"	253.06576	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"641507"	357.11306	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1145622"	149.01846	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"185388"	127.036518	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"620209"	179.060168	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1126994"	75.012868	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1412220"	50.3443373333333	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1442632"	151.060046	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"233057"	132.06954	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1518206"	165.11209	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"416800"	135.023488	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"775608"	187.047138	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1669752"	82.999838	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"253111"	272.110368	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1237731"	168.063068	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1717869"	168.086593	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1181037"	57.6716513333333	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1664296"	173.041988	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"169819"	285.01364	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"610474"	389.06094	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1096811"	180.96634	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"154726"	143.010458	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"590273"	195.034108	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1080623"	90.986808	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1112372"	182.980892	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1347663"	183.068507	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1018383"	187.107676	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1535779"	188.101308	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"1001860"	94.057476	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1591988"	189.015928	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1414609"	219.047438	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1154498"	114.570751	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1702955"	236.073985	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1647357"	241.02938	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1574258"	257.00332	"C05984"	"2-Hydroxybutanoic acid;2-Hydroxybutyrate;2-Hydroxybutyric acid"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"806812"	54.0106	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M"	0
"980347"	34.99221	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-H2O-H"	-19.01839
"69683"	34.9997906666667	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M-3H"	-3.021828
"504142"	53.003324	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M-3H"	-3.021828
"884859"	16.9962573333333	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-3H"	-3.021828
"5621"	53.003324	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M-2H"	-2.014552
"446275"	80.008624	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M-2H"	-2.014552
"825167"	25.998024	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-2H"	-2.014552
"86252"	107.013924	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M-H"	-1.007276
"521444"	161.024524	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M-H"	-1.007276
"900340"	53.003324	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-H"	-1.007276
"59090"	124.040471	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M-2H+NH4"	16.019271
"496463"	178.051071	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M-2H+NH4"	16.019271
"872079"	70.029871	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-2H+NH4"	16.019271
"32079"	128.995866	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M-2H+Na"	20.974666
"472732"	183.006466	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M-2H+Na"	20.974666
"850781"	74.985266	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-2H+Na"	20.974666
"1620315"	74.985266	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Na-2H"	20.974666
"99039"	70.991663	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M-H+Cl"	33.962126
"549049"	97.996963	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M-H+Cl"	33.962126
"935395"	43.986363	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-H+Cl"	33.962126
"278326"	142.990602	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+Cl"	34.969402
"666374"	197.001202	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+Cl"	34.969402
"1274521"	88.980002	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Cl"	34.969402
"20239"	144.969806	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M-2H+K"	36.948606
"460163"	198.980406	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M-2H+K"	36.948606
"838694"	90.959206	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-2H+K"	36.948606
"1559265"	90.959206	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+K-2H"	36.948606
"946053"	99.008794	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-H+HCOOH"	44.998194
"367186"	153.019401	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+HCOOH-H"	44.998201
"352526"	167.035051	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+Hac-H"	59.013851
"1499904"	113.024451	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Hac-H"	59.013851
"963071"	120.990751	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-H+NaCOOH"	66.980151
"113434"	88.980002	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+2Cl"	69.938804
"553362"	115.985302	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+2Cl"	69.938804
"1027996"	61.974702	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2Cl"	69.938804
"1248301"	132.929485	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Br"	78.918885
"1308198"	134.985472	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Cl+HCOOH"	80.974872
"1325331"	156.967429	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Cl+NaCOOH"	102.956829
"917483"	166.996186	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M-H+CF3COOH"	112.985586
"1292368"	202.972864	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Cl+CF3COOH"	148.962264
"1371988"	18.997924	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H-2H2O"	-35.012676
"1387660"	37.0079	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H-H2O"	-17.0027
"288445"	109.028476	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+H"	1.007276
"687430"	163.039076	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+H"	1.007276
"1359403"	55.017876	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H"	1.007276
"135574"	55.017876	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+2H"	2.014552
"572948"	82.023176	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+2H"	2.014552
"1048308"	28.012576	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2H"	2.014552
"215119"	37.0143426666667	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+3H"	3.021828
"651400"	55.017876	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+3H"	3.021828
"1169521"	19.0108093333333	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+3H"	3.021828
"433885"	126.055023	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+NH4"	18.033823
"795609"	180.065623	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+NH4"	18.033823
"1686837"	72.044423	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+NH4"	18.033823
"334020"	63.5311495	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+H+NH4"	19.041099
"726807"	90.5364495	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+H+NH4"	19.041099
"1481363"	36.5258495	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H+NH4"	19.041099
"396762"	131.010418	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+Na"	22.989218
"758851"	185.021018	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+Na"	22.989218
"1603055"	76.999818	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Na"	22.989218
"316986"	66.008847	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+H+Na"	23.996494
"708068"	93.014147	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+H+Na"	23.996494
"1462007"	39.003547	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H+Na"	23.996494
"1056473"	26.3381233333333	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2H+Na"	25.00377
"1263620"	87.044086	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+CH3OH+H"	33.033486
"385484"	146.984358	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+K"	38.963158
"741012"	200.994958	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+K"	38.963158
"1544159"	92.973758	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+K"	38.963158
"300240"	73.995817	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+H+K"	39.970434
"694851"	101.001117	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+H+K"	39.970434
"1447578"	46.990517	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H+K"	39.970434
"239458"	150.055026	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+ACN+H"	42.033826
"1218737"	96.044426	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+ACN+H"	42.033826
"1206632"	48.525851	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+ACN+2H"	43.041102
"201326"	152.99236	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+2Na-H"	44.97116
"640524"	207.00296	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+2Na-H"	44.97116
"1142934"	98.98176	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2Na-H"	44.97116
"184771"	76.999818	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+2Na"	45.978436
"620320"	104.005118	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+2Na"	45.978436
"1123825"	49.994518	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2Na"	45.978436
"1407348"	33.6654373333333	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H+2Na"	46.985712
"1436182"	101.023346	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H+HCOOH"	47.012746
"229157"	82.03284	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+3H2O+2H"	56.04448
"1517952"	115.07539	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+IsoProp+H"	61.06479
"419829"	84.986788	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+Na+K"	61.952376
"779000"	111.992088	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+Na+K"	61.952376
"1672050"	57.981488	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Na+K"	61.952376
"256378"	172.036968	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+ACN+Na"	64.015768
"1237841"	118.026368	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+ACN+Na"	64.015768
"1717979"	118.049893	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+NH4+HCOOH"	64.039293
"1184427"	40.9927513333333	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+3Na"	68.967654
"1664162"	123.005288	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Na+HCOOH"	68.994688
"170906"	184.94024	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+2K-H"	76.91904
"610950"	238.95084	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+2K-H"	76.91904
"1096921"	130.92964	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2K-H"	76.91904
"154107"	92.973758	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"2M+2K"	77.926316
"589290"	119.979058	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"3M+2K"	77.926316
"1078911"	65.968458	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2K"	77.926316
"1111024"	132.944192	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2K+H"	78.933592
"1346680"	133.031807	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+DMSO+H"	79.021207
"1018128"	137.070976	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2ACN+H"	83.060376
"1535524"	138.064608	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+IsoProp+Na+H"	84.054008
"998690"	69.039126	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+2ACN+2H"	84.067652
"1592098"	138.979228	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+K+HCOOH"	84.968628
"1417757"	169.010738	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+H+CF3COOH"	115.000138
"1158984"	89.552401	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+3ACN+2H"	125.094202
"1701972"	186.037285	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+NH4+CF3COOH"	132.026685
"1645280"	190.99268	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+Na+CF3COOH"	136.98208
"1576557"	206.96662	"C05985"	"2-Propynal;2-Propyn-1-al;Propiolaldehyde"	"C3H2O"	"54.0106"	"M+K+CF3COOH"	152.95602
"803642"	56.0262	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M"	0
"980457"	37.00781	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-H2O-H"	-19.01839
"64689"	36.343524	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M-3H"	-3.021828
"506073"	55.018924	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M-3H"	-3.021828
"884968"	17.668124	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-3H"	-3.021828
"6823"	55.018924	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M-2H"	-2.014552
"447476"	83.032024	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M-2H"	-2.014552
"824183"	27.005824	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-2H"	-2.014552
"88548"	111.045124	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M-H"	-1.007276
"521554"	167.071324	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M-H"	-1.007276
"900450"	55.018924	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-H"	-1.007276
"57013"	128.071671	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M-2H+NH4"	16.019271
"496573"	184.097871	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M-2H+NH4"	16.019271
"872189"	72.045471	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-2H+NH4"	16.019271
"32555"	133.027066	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M-2H+Na"	20.974666
"471993"	189.053266	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M-2H+Na"	20.974666
"850891"	77.000866	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-2H+Na"	20.974666
"1618845"	77.000866	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Na-2H"	20.974666
"100237"	73.007263	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M-H+Cl"	33.962126
"537613"	101.020363	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M-H+Cl"	33.962126
"931129"	44.994163	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-H+Cl"	33.962126
"275155"	147.021802	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+Cl"	34.969402
"666483"	203.048002	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+Cl"	34.969402
"1277061"	90.995602	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Cl"	34.969402
"17794"	149.001006	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M-2H+K"	36.948606
"461364"	205.027206	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M-2H+K"	36.948606
"837345"	92.974806	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-2H+K"	36.948606
"1557915"	92.974806	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+K-2H"	36.948606
"945068"	101.024394	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-H+HCOOH"	44.998194
"367296"	157.050601	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+HCOOH-H"	44.998201
"352272"	171.066251	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+Hac-H"	59.013851
"1500014"	115.040051	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Hac-H"	59.013851
"963181"	123.006351	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-H+NaCOOH"	66.980151
"113543"	90.995602	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+2Cl"	69.938804
"553836"	119.008702	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+2Cl"	69.938804
"1030292"	62.982502	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2Cl"	69.938804
"1246224"	134.945085	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Br"	78.918885
"1308307"	137.001072	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Cl+HCOOH"	80.974872
"1325441"	158.983029	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Cl+NaCOOH"	102.956829
"917593"	169.011786	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M-H+CF3COOH"	112.985586
"1291385"	204.988464	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Cl+CF3COOH"	148.962264
"1369911"	21.013524	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H-2H2O"	-35.012676
"1386677"	39.0235	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H-H2O"	-17.0027
"288555"	113.059676	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+H"	1.007276
"687540"	169.085876	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+H"	1.007276
"1360606"	57.033476	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H"	1.007276
"136777"	57.033476	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+2H"	2.014552
"576337"	85.046576	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+2H"	2.014552
"1048418"	29.020376	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2H"	2.014552
"215223"	38.358076	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+3H"	3.021828
"652603"	57.033476	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+3H"	3.021828
"1174003"	19.682676	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+3H"	3.021828
"432902"	130.086223	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+NH4"	18.033823
"794991"	186.112423	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+NH4"	18.033823
"1688041"	74.060023	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+NH4"	18.033823
"333038"	65.5467495	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+H+NH4"	19.041099
"725461"	93.5598495	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+H+NH4"	19.041099
"1482566"	37.5336495	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H+NH4"	19.041099
"396872"	135.041618	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+Na"	22.989218
"754705"	191.067818	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+Na"	22.989218
"1604870"	79.015418	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Na"	22.989218
"317460"	68.024447	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+H+Na"	23.996494
"708786"	96.037547	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+H+Na"	23.996494
"1462968"	40.011347	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H+Na"	23.996494
"1053660"	27.00999	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2H+Na"	25.00377
"1261543"	89.059686	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+CH3OH+H"	33.033486
"382310"	151.015558	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+K"	38.963158
"743307"	207.041758	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+K"	38.963158
"1543176"	94.989358	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+K"	38.963158
"304721"	76.011417	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+H+K"	39.970434
"697147"	104.024517	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+H+K"	39.970434
"1448778"	47.998317	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H+K"	39.970434
"238471"	154.086226	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+ACN+H"	42.033826
"1221033"	98.060026	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+ACN+H"	42.033826
"1207471"	49.533651	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+ACN+2H"	43.041102
"203505"	157.02356	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+2Na-H"	44.97116
"643552"	213.04976	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+2Na-H"	44.97116
"1143776"	100.99736	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2Na-H"	44.97116
"188487"	79.015418	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+2Na"	45.978436
"627357"	107.028518	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+2Na"	45.978436
"1126122"	51.002318	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2Na"	45.978436
"1410738"	34.337304	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H+2Na"	46.985712
"1434106"	103.038946	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H+HCOOH"	47.012746
"227081"	84.04844	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+3H2O+2H"	56.04448
"1517333"	117.09099	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+IsoProp+H"	61.06479
"419939"	87.002388	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+Na+K"	61.952376
"779839"	115.015488	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+Na+K"	61.952376
"1673253"	58.989288	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Na+K"	61.952376
"258674"	176.068168	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+ACN+Na"	64.015768
"1240829"	120.041968	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+ACN+Na"	64.015768
"1718089"	120.065493	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+NH4+HCOOH"	64.039293
"1190005"	41.664618	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+3Na"	68.967654
"1663178"	125.020888	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Na+HCOOH"	68.994688
"167852"	188.97144	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+2K-H"	76.91904
"612033"	244.99764	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+2K-H"	76.91904
"1096306"	132.94524	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2K-H"	76.91904
"150931"	94.989358	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"2M+2K"	77.926316
"589397"	123.002458	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"3M+2K"	77.926316
"1078284"	66.976258	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2K"	77.926316
"1111498"	134.959792	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2K+H"	78.933592
"1347521"	135.047407	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+DMSO+H"	79.021207
"1016416"	139.086576	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2ACN+H"	83.060376
"1536363"	140.080208	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+IsoProp+Na+H"	84.054008
"999893"	70.046926	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+2ACN+2H"	84.067652
"1592208"	140.994828	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+K+HCOOH"	84.968628
"1417867"	171.026338	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+H+CF3COOH"	115.000138
"1161280"	90.560201	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+3ACN+2H"	125.094202
"1702082"	188.052885	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+NH4+CF3COOH"	132.026685
"1645390"	193.00828	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+Na+CF3COOH"	136.98208
"1576667"	208.98222	"C05986"	"2-Propyn-1-ol;Prop-2-yn-1-ol;Prop-2-yne-1-ol;Prop-2-in-1-ol;1-Hydroxy-2-propyne;1-Propyn-3-ol;1-Propyn-3-yl alcohol;2-Propynol;2-Propynyl alcohol;3-Hydroxy-1-propyne;3-Propynol;Ethynylcarbinol;NA 1986;Propargyl alcohol;Propynyl alcohol"	"C3H4O"	"56.0262"	"M+K+CF3COOH"	152.95602
"807035"	837.1207	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M"	0
"978380"	818.10231	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-H2O-H"	-19.01839
"65530"	557.073190666667	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M-3H"	-3.021828
"503388"	836.113424	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M-3H"	-3.021828
"881798"	278.032957333333	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-3H"	-3.021828
"2923"	836.113424	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M-2H"	-2.014552
"443577"	1254.673774	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M-2H"	-2.014552
"819918"	417.553074	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-2H"	-2.014552
"83190"	1673.234124	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M-H"	-1.007276
"521664"	2510.354824	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M-H"	-1.007276
"898374"	836.113424	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-H"	-1.007276
"48008"	1690.260671	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M-2H+NH4"	16.019271
"488056"	2527.381371	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M-2H+NH4"	16.019271
"864319"	853.139971	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-2H+NH4"	16.019271
"31524"	1695.216066	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M-2H+Na"	20.974666
"471512"	2532.336766	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M-2H+Na"	20.974666
"848659"	858.095366	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-2H+Na"	20.974666
"1619806"	858.095366	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Na-2H"	20.974666
"96338"	854.101763	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M-H+Cl"	33.962126
"539910"	1272.662113	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M-H+Cl"	33.962126
"928322"	435.541413	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-H+Cl"	33.962126
"267848"	1709.210802	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+Cl"	34.969402
"662945"	2546.331502	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+Cl"	34.969402
"1278266"	872.090102	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Cl"	34.969402
"18998"	1711.190006	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M-2H+K"	36.948606
"459287"	2548.310706	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M-2H+K"	36.948606
"837455"	874.069306	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-2H+K"	36.948606
"1559119"	874.069306	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+K-2H"	36.948606
"946637"	882.118894	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-H+HCOOH"	44.998194
"367407"	1719.239601	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+HCOOH-H"	44.998201
"352382"	1733.255251	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+Hac-H"	59.013851
"1500124"	896.134551	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Hac-H"	59.013851
"963292"	904.100851	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-H+NaCOOH"	66.980151
"113655"	872.090102	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+2Cl"	69.938804
"558324"	1290.650452	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+2Cl"	69.938804
"1024568"	453.529752	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2Cl"	69.938804
"1244512"	916.039585	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Br"	78.918885
"1312430"	918.095572	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Cl+HCOOH"	80.974872
"1324459"	940.077529	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Cl+NaCOOH"	102.956829
"914422"	950.106286	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M-H+CF3COOH"	112.985586
"1290400"	986.082964	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Cl+CF3COOH"	148.962264
"1369655"	802.108024	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H-2H2O"	-35.012676
"1384965"	820.118	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H-H2O"	-17.0027
"287206"	1675.248676	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+H"	1.007276
"684369"	2512.369376	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+H"	1.007276
"1356342"	838.127976	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H"	1.007276
"132513"	838.127976	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+2H"	2.014552
"574260"	1256.688326	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+2H"	2.014552
"1044154"	419.567626	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2H"	2.014552
"214240"	559.087742666667	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+3H"	3.021828
"654895"	838.127976	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+3H"	3.021828
"1169739"	280.047509333333	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+3H"	3.021828
"427545"	1692.275223	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+NH4"	18.033823
"791820"	2529.395923	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+NH4"	18.033823
"1681953"	855.154523	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+NH4"	18.033823
"330712"	846.6412495	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+H+NH4"	19.041099
"723505"	1265.2015995	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+H+NH4"	19.041099
"1481583"	428.0808995	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H+NH4"	19.041099
"399169"	1697.230618	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+Na"	22.989218
"760164"	2534.351318	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+Na"	22.989218
"1608263"	860.109918	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Na"	22.989218
"316476"	849.118947	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+H+Na"	23.996494
"707679"	1267.679297	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+H+Na"	23.996494
"1462592"	430.558597	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H+Na"	23.996494
"1054376"	287.374823333333	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2H+Na"	25.00377
"1262747"	870.154186	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+CH3OH+H"	33.033486
"381327"	1713.204558	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+K"	38.963158
"742320"	2550.325258	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+K"	38.963158
"1543286"	876.083858	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+K"	38.963158
"300459"	857.105917	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+H+K"	39.970434
"695070"	1275.666267	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+H+K"	39.970434
"1446702"	438.545567	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H+K"	39.970434
"237488"	1716.275226	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+ACN+H"	42.033826
"1221143"	879.154526	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+ACN+H"	42.033826
"1200650"	440.080901	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+ACN+2H"	43.041102
"193521"	1719.21256	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+2Na-H"	44.97116
"639281"	2556.33326	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+2Na-H"	44.97116
"1139869"	882.09186	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2Na-H"	44.97116
"187542"	860.109918	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+2Na"	45.978436
"623818"	1278.670268	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+2Na"	45.978436
"1126232"	441.549568	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2Na"	45.978436
"1406475"	294.702137333333	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H+2Na"	46.985712
"1430935"	884.133446	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H+HCOOH"	47.012746
"222816"	865.14294	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+3H2O+2H"	56.04448
"1517443"	898.18549	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+IsoProp+H"	61.06479
"418226"	868.096888	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+Na+K"	61.952376
"777033"	1286.657238	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+Na+K"	61.952376
"1670083"	449.536538	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Na+K"	61.952376
"254412"	1738.257168	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+ACN+Na"	64.015768
"1240252"	901.136468	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+ACN+Na"	64.015768
"1718199"	901.159993	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+NH4+HCOOH"	64.039293
"1190115"	302.029451333333	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+3Na"	68.967654
"1663288"	906.115388	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Na+HCOOH"	68.994688
"167962"	1751.16044	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+2K-H"	76.91904
"610077"	2588.28114	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+2K-H"	76.91904
"1094592"	914.03974	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2K-H"	76.91904
"145574"	876.083858	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"2M+2K"	77.926316
"585134"	1294.644208	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"3M+2K"	77.926316
"1077302"	457.523508	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2K"	77.926316
"1110515"	916.054292	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2K+H"	78.933592
"1348360"	916.141907	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+DMSO+H"	79.021207
"1018713"	920.181076	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2ACN+H"	83.060376
"1535745"	921.174708	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+IsoProp+Na+H"	84.054008
"1000003"	460.594176	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+2ACN+2H"	84.067652
"1593412"	922.089328	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+K+HCOOH"	84.968628
"1420164"	952.120838	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+H+CF3COOH"	115.000138
"1162119"	481.107451	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+3ACN+2H"	125.094202
"1712037"	969.147385	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+NH4+CF3COOH"	132.026685
"1645500"	974.10278	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+Na+CF3COOH"	136.98208
"1586619"	990.07672	"C05989"	"3-Oxopropionyl-CoA;3-Oxopropanoyl-CoA;Malonyl semialdehyde-CoA"	"C24H38N7O18P3S"	"837.1207"	"M+K+CF3COOH"	152.95602
"808235"	462.1162	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M"	0
"977397"	443.09781	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-H2O-H"	-19.01839
"65273"	307.070190666667	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M-3H"	-3.021828
"507385"	461.108924	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M-3H"	-3.021828
"883001"	153.031457333333	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-3H"	-3.021828
"4854"	461.108924	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M-2H"	-2.014552
"444415"	692.167024	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M-2H"	-2.014552
"820028"	230.050824	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-2H"	-2.014552
"79653"	923.225124	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M-H"	-1.007276
"521773"	1385.341324	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M-H"	-1.007276
"898483"	461.108924	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-H"	-1.007276
"52859"	940.251671	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M-2H+NH4"	16.019271
"490232"	1402.367871	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M-2H+NH4"	16.019271
"864992"	478.135471	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-2H+NH4"	16.019271
"32286"	945.207066	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M-2H+Na"	20.974666
"471846"	1407.323266	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M-2H+Na"	20.974666
"848836"	483.090866	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-2H+Na"	20.974666
"1621739"	483.090866	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Na-2H"	20.974666
"95717"	479.097263	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M-H+Cl"	33.962126
"540019"	710.155363	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M-H+Cl"	33.962126
"929525"	248.039163	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-H+Cl"	33.962126
"270268"	959.201802	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+Cl"	34.969402
"665971"	1421.318002	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+Cl"	34.969402
"1279468"	497.085602	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Cl"	34.969402
"20201"	961.181006	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M-2H+K"	36.948606
"461583"	1423.297206	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M-2H+K"	36.948606
"840116"	499.064806	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-2H+K"	36.948606
"1561418"	499.064806	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+K-2H"	36.948606
"947840"	507.114394	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-H+HCOOH"	44.998194
"369703"	969.230601	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+HCOOH-H"	44.998201
"352492"	983.246251	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+Hac-H"	59.013851
"1496223"	521.130051	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Hac-H"	59.013851
"963034"	529.096351	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-H+NaCOOH"	66.980151
"114857"	497.085602	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+2Cl"	69.938804
"556247"	728.143702	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+2Cl"	69.938804
"1026865"	266.027502	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2Cl"	69.938804
"1246444"	541.035085	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Br"	78.918885
"1312540"	543.091072	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Cl+HCOOH"	80.974872
"1324568"	565.073029	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Cl+NaCOOH"	102.956829
"914531"	575.101786	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M-H+CF3COOH"	112.985586
"1292333"	611.078464	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Cl+CF3COOH"	148.962264
"1372318"	427.103524	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H-2H2O"	-35.012676
"1386532"	445.1135	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H-H2O"	-17.0027
"284761"	925.239676	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+H"	1.007276
"679736"	1387.355876	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+H"	1.007276
"1359732"	463.123476	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H"	1.007276
"133713"	463.123476	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+2H"	2.014552
"574369"	694.181576	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+2H"	2.014552
"1048637"	232.065376	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2H"	2.014552
"217266"	309.084742666667	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+3H"	3.021828
"656098"	463.123476	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+3H"	3.021828
"1167662"	155.046009333333	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+3H"	3.021828
"427654"	942.266223	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+NH4"	18.033823
"793023"	1404.382423	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+NH4"	18.033823
"1683886"	480.150023	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+NH4"	18.033823
"331314"	471.6367495	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+H+NH4"	19.041099
"723977"	702.6948495	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+H+NH4"	19.041099
"1480963"	240.5786495	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H+NH4"	19.041099
"394902"	947.221618	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+Na"	22.989218
"754801"	1409.337818	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+Na"	22.989218
"1607280"	485.105418	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Na"	22.989218
"316586"	474.114447	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+H+Na"	23.996494
"708517"	705.172547	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+H+Na"	23.996494
"1462822"	243.056347	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H+Na"	23.996494
"1053272"	162.373323333333	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2H+Na"	25.00377
"1259211"	495.149686	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+CH3OH+H"	33.033486
"378878"	963.195558	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+K"	38.963158
"740968"	1425.311758	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+K"	38.963158
"1542664"	501.079358	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+K"	38.963158
"300568"	482.101417	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+H+K"	39.970434
"692624"	713.159517	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+H+K"	39.970434
"1447176"	251.043317	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H+K"	39.970434
"236381"	966.266226	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+ACN+H"	42.033826
"1221253"	504.150026	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+ACN+H"	42.033826
"1200760"	252.578651	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+ACN+2H"	43.041102
"194724"	969.20356	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+2Na-H"	44.97116
"639755"	1431.31976	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+2Na-H"	44.97116
"1139979"	507.08736	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2Na-H"	44.97116
"185828"	485.105418	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+2Na"	45.978436
"623928"	716.163518	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+2Na"	45.978436
"1127435"	254.047318	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2Na"	45.978436
"1407678"	169.700637333333	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H+2Na"	46.985712
"1433595"	509.128946	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H+HCOOH"	47.012746
"222926"	490.13844	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+3H2O+2H"	56.04448
"1517553"	523.18099	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+IsoProp+H"	61.06479
"419429"	493.092388	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+Na+K"	61.952376
"774955"	724.150488	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+Na+K"	61.952376
"1669096"	262.034288	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Na+K"	61.952376
"255615"	988.248168	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+ACN+Na"	64.015768
"1231605"	526.131968	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+ACN+Na"	64.015768
"1716118"	526.155493	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+NH4+HCOOH"	64.039293
"1188037"	177.027951333333	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+3Na"	68.967654
"1656833"	531.110888	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Na+HCOOH"	68.994688
"169165"	1001.15144	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+2K-H"	76.91904
"607637"	1463.26764	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+2K-H"	76.91904
"1091787"	539.03524	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2K-H"	76.91904
"146780"	501.079358	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"2M+2K"	77.926316
"588524"	732.137458	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"3M+2K"	77.926316
"1073037"	270.021258	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2K"	77.926316
"1105153"	541.049792	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2K+H"	78.933592
"1347741"	541.137407	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+DMSO+H"	79.021207
"1017368"	545.176576	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2ACN+H"	83.060376
"1536948"	546.170208	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+IsoProp+Na+H"	84.054008
"999020"	273.091926	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+2ACN+2H"	84.067652
"1591335"	547.084828	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+K+HCOOH"	84.968628
"1418086"	577.116338	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+H+CF3COOH"	115.000138
"1160407"	293.605201	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+3ACN+2H"	125.094202
"1710690"	594.142885	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+NH4+CF3COOH"	132.026685
"1645610"	599.09828	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+Na+CF3COOH"	136.98208
"1586729"	615.07222	"C05990"	"Isoscoparine;Isoscoparin;C-Glucosyl-6 chrysoeriol;Chrysoeriol 6-C-glucoside"	"C22H22O11"	"462.1162"	"M+K+CF3COOH"	152.95602
"805065"	389.0736	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M"	0
"978600"	370.05521	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-H2O-H"	-19.01839
"66843"	258.375124	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M-3H"	-3.021828
"507494"	388.066324	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M-3H"	-3.021828
"882139"	128.683924	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-3H"	-3.021828
"3871"	388.066324	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M-2H"	-2.014552
"444889"	582.603124	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M-2H"	-2.014552
"819409"	193.529524	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-2H"	-2.014552
"79278"	777.139924	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M-H"	-1.007276
"522977"	1166.213524	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M-H"	-1.007276
"900781"	388.066324	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-H"	-1.007276
"51876"	794.166471	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M-2H+NH4"	16.019271
"490342"	1183.240071	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M-2H+NH4"	16.019271
"866317"	405.092871	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-2H+NH4"	16.019271
"32639"	799.121866	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M-2H+Na"	20.974666
"472928"	1188.195466	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M-2H+Na"	20.974666
"848822"	410.048266	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-2H+Na"	20.974666
"1620756"	410.048266	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Na-2H"	20.974666
"95219"	406.054663	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M-H+Cl"	33.962126
"542317"	600.591463	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M-H+Cl"	33.962126
"931459"	211.517863	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-H+Cl"	33.962126
"275484"	813.116602	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+Cl"	34.969402
"664259"	1202.190202	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+Cl"	34.969402
"1277755"	424.043002	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Cl"	34.969402
"22133"	815.095806	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M-2H+K"	36.948606
"462058"	1204.169406	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M-2H+K"	36.948606
"840226"	426.022206	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-2H+K"	36.948606
"1562621"	426.022206	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+K-2H"	36.948606
"947585"	434.071794	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-H+HCOOH"	44.998194
"368720"	823.145401	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+HCOOH-H"	44.998201
"351143"	837.161051	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+Hac-H"	59.013851
"1498157"	448.087451	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Hac-H"	59.013851
"963875"	456.053751	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-H+NaCOOH"	66.980151
"114603"	424.043002	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+2Cl"	69.938804
"558544"	618.579802	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+2Cl"	69.938804
"1028434"	229.506202	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2Cl"	69.938804
"1248014"	467.992485	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Br"	78.918885
"1310464"	470.048472	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Cl+HCOOH"	80.974872
"1325774"	492.030429	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Cl+NaCOOH"	102.956829
"916829"	502.059186	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M-H+CF3COOH"	112.985586
"1294632"	538.035864	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Cl+CF3COOH"	148.962264
"1372062"	354.060924	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H-2H2O"	-35.012676
"1386279"	372.0709	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H-H2O"	-17.0027
"285965"	779.154476	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+H"	1.007276
"679118"	1168.228076	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+H"	1.007276
"1359841"	390.080876	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H"	1.007276
"133823"	390.080876	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+2H"	2.014552
"575571"	584.617676	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+2H"	2.014552
"1049478"	195.544076	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2H"	2.014552
"216647"	260.389676	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+3H"	3.021828
"656207"	390.080876	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+3H"	3.021828
"1173240"	130.698476	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+3H"	3.021828
"431045"	796.181023	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+NH4"	18.033823
"792041"	1185.254623	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+NH4"	18.033823
"1685091"	407.107423	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+NH4"	18.033823
"330815"	398.5941495	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+H+NH4"	19.041099
"725789"	593.1309495	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+H+NH4"	19.041099
"1481073"	204.0573495	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H+NH4"	19.041099
"394041"	801.136418	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+Na"	22.989218
"754912"	1190.210018	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+Na"	22.989218
"1607390"	412.062818	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Na"	22.989218
"317060"	401.071847	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+H+Na"	23.996494
"708385"	595.608647	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+H+Na"	23.996494
"1462934"	206.535047	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H+Na"	23.996494
"1053386"	138.02579	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2H+Na"	25.00377
"1257861"	422.107086	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+CH3OH+H"	33.033486
"380812"	817.110358	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+K"	38.963158
"741078"	1206.183958	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+K"	38.963158
"1542407"	428.036758	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+K"	38.963158
"300680"	409.058817	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+H+K"	39.970434
"695288"	603.595617	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+H+K"	39.970434
"1448015"	214.522017	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H+K"	39.970434
"236736"	820.181026	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+ACN+H"	42.033826
"1222821"	431.107426	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+ACN+H"	42.033826
"1201963"	216.057351	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+ACN+2H"	43.041102
"199207"	823.11836	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+2Na-H"	44.97116
"638772"	1212.19196	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+2Na-H"	44.97116
"1142276"	434.04476	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2Na-H"	44.97116
"186545"	412.062818	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+2Na"	45.978436
"624038"	606.599618	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+2Na"	45.978436
"1127545"	217.526018	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2Na"	45.978436
"1408881"	145.353104	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H+2Na"	46.985712
"1431519"	436.086346	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H+HCOOH"	47.012746
"224129"	417.09584	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+3H2O+2H"	56.04448
"1518756"	450.13839	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+IsoProp+H"	61.06479
"420632"	420.049788	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+Na+K"	61.952376
"777250"	614.586588	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+Na+K"	61.952376
"1670299"	225.512988	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Na+K"	61.952376
"257911"	842.162968	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+ACN+Na"	64.015768
"1229529"	453.089368	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+ACN+Na"	64.015768
"1715130"	453.112893	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+NH4+HCOOH"	64.039293
"1188147"	152.680418	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+3Na"	68.967654
"1658036"	458.068288	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Na+HCOOH"	68.994688
"168548"	855.06624	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+2K-H"	76.91904
"608841"	1244.13984	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+2K-H"	76.91904
"1093354"	465.99264	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2K-H"	76.91904
"146889"	428.036758	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"2M+2K"	77.926316
"588634"	622.573558	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"3M+2K"	77.926316
"1072054"	233.499958	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2K"	77.926316
"1107446"	468.007192	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2K+H"	78.933592
"1344934"	468.094807	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+DMSO+H"	79.021207
"1017478"	472.133976	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2ACN+H"	83.060376
"1536329"	473.127608	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+IsoProp+Na+H"	84.054008
"1000223"	236.570626	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+2ACN+2H"	84.067652
"1592538"	474.042228	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+K+HCOOH"	84.968628
"1416010"	504.073738	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+H+CF3COOH"	115.000138
"1155048"	257.083901	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+3ACN+2H"	125.094202
"1710800"	521.100285	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+NH4+CF3COOH"	132.026685
"1645720"	526.05568	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+Na+CF3COOH"	136.98208
"1586839"	542.02962	"C05993"	"Acetyl adenylate;5-Acetylphosphoadenosine"	"C12H16N5O8P"	"389.0736"	"M+K+CF3COOH"	152.95602
"807362"	176.0685	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M"	0
"987457"	157.05011	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-H2O-H"	-19.01839
"70233"	116.371724	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M-3H"	-3.021828
"506511"	175.061224	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M-3H"	-3.021828
"882129"	57.682224	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-3H"	-3.021828
"3982"	175.061224	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M-2H"	-2.014552
"443542"	263.095474	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M-2H"	-2.014552
"819157"	87.026974	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-2H"	-2.014552
"79147"	351.129724	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M-H"	-1.007276
"525274"	527.198224	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M-H"	-1.007276
"901984"	175.061224	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-H"	-1.007276
"54173"	368.156271	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M-2H+NH4"	16.019271
"490452"	544.224771	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M-2H+NH4"	16.019271
"866186"	192.087771	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-2H+NH4"	16.019271
"35061"	373.111666	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M-2H+Na"	20.974666
"473039"	549.180166	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M-2H+Na"	20.974666
"849626"	197.043166	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-2H+Na"	20.974666
"1620865"	197.043166	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Na-2H"	20.974666
"97394"	193.049563	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M-H+Cl"	33.962126
"545707"	281.083813	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M-H+Cl"	33.962126
"930477"	105.015313	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-H+Cl"	33.962126
"275594"	387.106402	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+Cl"	34.969402
"663277"	563.174902	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+Cl"	34.969402
"1277139"	211.037902	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Cl"	34.969402
"20788"	389.085606	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M-2H+K"	36.948606
"463628"	565.154106	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M-2H+K"	36.948606
"839243"	213.017106	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-2H+K"	36.948606
"1564917"	213.017106	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+K-2H"	36.948606
"949519"	221.066694	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-H+HCOOH"	44.998194
"369922"	397.135201	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+HCOOH-H"	44.998201
"349431"	411.150851	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+Hac-H"	59.013851
"1500453"	235.082351	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Hac-H"	59.013851
"966901"	243.048651	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-H+NaCOOH"	66.980151
"115808"	211.037902	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+2Cl"	69.938804
"562299"	299.072152	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+2Cl"	69.938804
"1028545"	123.003652	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2Cl"	69.938804
"1250310"	254.987385	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Br"	78.918885
"1310574"	257.043372	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Cl+HCOOH"	80.974872
"1328071"	279.025329	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Cl+NaCOOH"	102.956829
"916939"	289.054086	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M-H+CF3COOH"	112.985586
"1292555"	325.030764	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Cl+CF3COOH"	148.962264
"1369256"	141.055824	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H-2H2O"	-35.012676
"1383837"	159.0658	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H-H2O"	-17.0027
"284251"	353.144276	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+H"	1.007276
"680322"	529.212776	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+H"	1.007276
"1352297"	177.075776	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H"	1.007276
"130289"	177.075776	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+2H"	2.014552
"575681"	265.110026	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+2H"	2.014552
"1051048"	89.041526	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2H"	2.014552
"217488"	118.386276	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+3H"	3.021828
"656318"	177.075776	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+3H"	3.021828
"1172986"	59.696776	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+3H"	3.021828
"431155"	370.170823	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+NH4"	18.033823
"793243"	546.239323	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+NH4"	18.033823
"1686294"	194.102323	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+NH4"	18.033823
"332385"	185.5890495	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+H+NH4"	19.041099
"722983"	273.6232995	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+H+NH4"	19.041099
"1477081"	97.5547995	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H+NH4"	19.041099
"393783"	375.126218	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+Na"	22.989218
"754535"	551.194718	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+Na"	22.989218
"1603204"	199.057718	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Na"	22.989218
"314262"	188.066747	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+H+Na"	23.996494
"708979"	276.100997	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+H+Na"	23.996494
"1461948"	100.032497	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H+Na"	23.996494
"1055563"	67.02409	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2H+Na"	25.00377
"1259066"	209.101986	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+CH3OH+H"	33.033486
"379466"	391.100158	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+K"	38.963158
"739729"	567.168658	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+K"	38.963158
"1542515"	215.031658	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+K"	38.963158
"300787"	196.053717	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+H+K"	39.970434
"694305"	284.087967	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+H+K"	39.970434
"1450312"	108.019467	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H+K"	39.970434
"236036"	394.170826	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+ACN+H"	42.033826
"1222202"	218.102326	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+ACN+H"	42.033826
"1203166"	109.554801	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+ACN+2H"	43.041102
"197130"	397.10816	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+2Na-H"	44.97116
"641434"	573.17666	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+2Na-H"	44.97116
"1143115"	221.03966	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2Na-H"	44.97116
"180212"	199.057718	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+2Na"	45.978436
"627186"	287.091968	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+2Na"	45.978436
"1128748"	111.023468	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2Na"	45.978436
"1405711"	74.351404	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H+2Na"	46.985712
"1432357"	223.081246	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H+HCOOH"	47.012746
"222781"	204.09074	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+3H2O+2H"	56.04448
"1522146"	237.13329	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+IsoProp+H"	61.06479
"420742"	207.044688	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+Na+K"	61.952376
"777360"	295.078938	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+Na+K"	61.952376
"1673690"	119.010438	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Na+K"	61.952376
"258021"	416.152768	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+ACN+Na"	64.015768
"1231826"	240.084268	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+ACN+Na"	64.015768
"1717430"	240.107793	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+NH4+HCOOH"	64.039293
"1191173"	81.678718	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+3Na"	68.967654
"1659239"	245.063188	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Na+HCOOH"	68.994688
"169386"	429.05604	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+2K-H"	76.91904
"610772"	605.12454	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+2K-H"	76.91904
"1093460"	252.98754	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2K-H"	76.91904
"149186"	215.031658	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"2M+2K"	77.926316
"587651"	303.065908	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"3M+2K"	77.926316
"1074350"	126.997408	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2K"	77.926316
"1106463"	255.002092	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2K+H"	78.933592
"1348324"	255.089707	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+DMSO+H"	79.021207
"1017588"	259.128876	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2ACN+H"	83.060376
"1536803"	260.122508	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+IsoProp+Na+H"	84.054008
"1000333"	130.068076	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+2ACN+2H"	84.067652
"1591555"	261.037128	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+K+HCOOH"	84.968628
"1419400"	291.068638	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+H+CF3COOH"	115.000138
"1155158"	150.581351	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+3ACN+2H"	125.094202
"1711274"	308.095185	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+NH4+CF3COOH"	132.026685
"1644737"	313.05058	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+Na+CF3COOH"	136.98208
"1586949"	329.02452	"C05994"	"2-Propylmalate;2-Propylmalic acid;Malic acid 2-propyl-"	"C7H12O5"	"176.0685"	"M+K+CF3COOH"	152.95602
"807472"	328.1019	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M"	0
"986476"	309.08351	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-H2O-H"	-19.01839
"70343"	217.727324	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M-3H"	-3.021828
"506623"	327.094624	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M-3H"	-3.021828
"885520"	108.360024	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-3H"	-3.021828
"3001"	327.094624	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M-2H"	-2.014552
"441587"	491.145574	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M-2H"	-2.014552
"820361"	163.043674	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-2H"	-2.014552
"79747"	655.196524	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M-H"	-1.007276
"531584"	983.298424	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M-H"	-1.007276
"905374"	327.094624	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-H"	-1.007276
"53188"	672.223071	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M-2H+NH4"	16.019271
"492748"	1000.324971	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M-2H+NH4"	16.019271
"866177"	344.121171	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-2H+NH4"	16.019271
"32984"	677.178466	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M-2H+Na"	20.974666
"472055"	1005.280366	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M-2H+Na"	20.974666
"848579"	349.076566	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-2H+Na"	20.974666
"1618828"	349.076566	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Na-2H"	20.974666
"96411"	345.082963	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M-H+Cl"	33.962126
"549098"	509.133913	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M-H+Cl"	33.962126
"931681"	181.032013	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-H+Cl"	33.962126
"273518"	691.173202	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+Cl"	34.969402
"669219"	1019.275102	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+Cl"	34.969402
"1279436"	363.071302	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Cl"	34.969402
"23085"	693.152406	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M-2H+K"	36.948606
"467018"	1021.254306	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M-2H+K"	36.948606
"840447"	365.050506	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-2H+K"	36.948606
"1563936"	365.050506	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+K-2H"	36.948606
"954005"	373.100094	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-H+HCOOH"	44.998194
"370032"	701.202001	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+HCOOH-H"	44.998201
"348448"	715.217651	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+Hac-H"	59.013851
"1499470"	387.115751	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Hac-H"	59.013851
"967011"	395.082051	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-H+NaCOOH"	66.980151
"125280"	363.071302	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+2Cl"	69.938804
"562774"	527.122252	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+2Cl"	69.938804
"1033031"	199.020352	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2Cl"	69.938804
"1253704"	407.020785	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Br"	78.918885
"1312873"	409.076772	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Cl+HCOOH"	80.974872
"1327089"	431.058729	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Cl+NaCOOH"	102.956829
"921426"	441.087486	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M-H+CF3COOH"	112.985586
"1298133"	477.064164	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Cl+CF3COOH"	148.962264
"1378116"	293.089224	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H-2H2O"	-35.012676
"1385042"	311.0992	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H-H2O"	-17.0027
"286916"	657.211076	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+H"	1.007276
"683712"	985.312976	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+H"	1.007276
"1356781"	329.109176	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H"	1.007276
"130763"	329.109176	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+2H"	2.014552
"577614"	493.160126	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+2H"	2.014552
"1051767"	165.058226	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2H"	2.014552
"217597"	219.741876	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+3H"	3.021828
"658616"	329.109176	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+3H"	3.021828
"1173461"	110.374576	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+3H"	3.021828
"433451"	674.237623	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+NH4"	18.033823
"796635"	1002.339523	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+NH4"	18.033823
"1686405"	346.135723	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+NH4"	18.033823
"332496"	337.6224495	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+H+NH4"	19.041099
"724310"	501.6733995	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+H+NH4"	19.041099
"1477400"	173.5714995	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H+NH4"	19.041099
"393118"	679.193018	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+Na"	22.989218
"754645"	1007.294918	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+Na"	22.989218
"1604327"	351.091118	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Na"	22.989218
"314392"	340.100147	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+H+Na"	23.996494
"708241"	504.151097	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+H+Na"	23.996494
"1462666"	176.049197	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H+Na"	23.996494
"1053118"	117.70189	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2H+Na"	25.00377
"1257717"	361.135386	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+CH3OH+H"	33.033486
"377421"	695.166958	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+K"	38.963158
"739109"	1023.268858	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+K"	38.963158
"1540801"	367.065058	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+K"	38.963158
"298633"	348.087117	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+H+K"	39.970434
"693322"	512.138067	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+H+K"	39.970434
"1445693"	184.036167	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H+K"	39.970434
"239024"	698.237626	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+ACN+H"	42.033826
"1222676"	370.135726	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+ACN+H"	42.033826
"1202182"	185.571501	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+ACN+2H"	43.041102
"197242"	701.17496	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+2Na-H"	44.97116
"640085"	1029.27686	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+2Na-H"	44.97116
"1144322"	373.07306	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2Na-H"	44.97116
"185791"	351.091118	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+2Na"	45.978436
"620977"	515.142068	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+2Na"	45.978436
"1122297"	187.040168	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2Na"	45.978436
"1402539"	125.029204	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H+2Na"	46.985712
"1432468"	375.114646	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H+HCOOH"	47.012746
"225440"	356.12414	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+3H2O+2H"	56.04448
"1515694"	389.16669	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+IsoProp+H"	61.06479
"420850"	359.078088	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+Na+K"	61.952376
"777470"	523.129038	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+Na+K"	61.952376
"1669425"	195.027138	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Na+K"	61.952376
"253757"	720.219568	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+ACN+Na"	64.015768
"1227925"	392.117668	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+ACN+Na"	64.015768
"1721916"	392.141193	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+NH4+HCOOH"	64.039293
"1190553"	132.356518	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+3Na"	68.967654
"1662634"	397.096588	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Na+HCOOH"	68.994688
"166213"	733.12284	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+2K-H"	76.91904
"606870"	1061.22474	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+2K-H"	76.91904
"1093572"	405.02094	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2K-H"	76.91904
"148200"	367.065058	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"2M+2K"	77.926316
"585571"	531.116008	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"3M+2K"	77.926316
"1071177"	203.014108	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2K"	77.926316
"1103291"	407.035492	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2K+H"	78.933592
"1347341"	407.123107	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+DMSO+H"	79.021207
"1018061"	411.162276	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2ACN+H"	83.060376
"1535089"	412.155908	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+IsoProp+Na+H"	84.054008
"1001542"	206.084776	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+2ACN+2H"	84.067652
"1598229"	413.070528	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+K+HCOOH"	84.968628
"1423887"	443.102038	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+H+CF3COOH"	115.000138
"1155268"	226.598051	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+3ACN+2H"	125.094202
"1711384"	460.128585	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+NH4+CF3COOH"	132.026685
"1638285"	465.08398	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+Na+CF3COOH"	136.98208
"1573935"	481.05792	"C05995"	"7-Hydroxy-6-methyl-8-ribityl lumazine"	"C12H16N4O7"	"328.1019"	"M+K+CF3COOH"	152.95602
"807583"	867.1676	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M"	0
"975648"	848.14921	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-H2O-H"	-19.01839
"64984"	577.104457333333	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M-3H"	-3.021828
"505638"	866.160324	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M-3H"	-3.021828
"884535"	288.048590666667	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-3H"	-3.021828
"4204"	866.160324	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M-2H"	-2.014552
"441698"	1299.744124	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M-2H"	-2.014552
"820471"	432.576524	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-2H"	-2.014552
"89947"	1733.327924	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M-H"	-1.007276
"526590"	2600.495524	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M-H"	-1.007276
"905484"	866.160324	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-H"	-1.007276
"54391"	1750.354471	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+NH4"	16.019271
"490670"	2617.522071	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+NH4"	16.019271
"867380"	883.186871	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-2H+NH4"	16.019271
"36375"	1755.309866	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+Na"	20.974666
"472655"	2622.477466	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+Na"	20.974666
"850459"	888.142266	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-2H+Na"	20.974666
"1624368"	888.142266	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Na-2H"	20.974666
"103088"	884.148663	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M-H+Cl"	33.962126
"539367"	1317.732463	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M-H+Cl"	33.962126
"932154"	450.564863	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-H+Cl"	33.962126
"279094"	1769.304602	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+Cl"	34.969402
"669329"	2636.472202	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+Cl"	34.969402
"1277360"	902.137002	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Cl"	34.969402
"25384"	1771.283806	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M-2H+K"	36.948606
"463853"	2638.451406	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M-2H+K"	36.948606
"841653"	904.116206	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-2H+K"	36.948606
"1565139"	904.116206	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+K-2H"	36.948606
"954115"	912.165794	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-H+HCOOH"	44.998194
"367956"	1779.333401	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+HCOOH-H"	44.998201
"349655"	1793.349051	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+Hac-H"	59.013851
"1493020"	926.181451	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Hac-H"	59.013851
"961287"	934.147751	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-H+NaCOOH"	66.980151
"122230"	902.137002	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+2Cl"	69.938804
"557781"	1335.720802	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+2Cl"	69.938804
"1032049"	468.553202	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2Cl"	69.938804
"1250534"	946.086485	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Br"	78.918885
"1315898"	948.142472	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+HCOOH"	80.974872
"1332667"	970.124429	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+NaCOOH"	102.956829
"923724"	980.153186	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M-H+CF3COOH"	112.985586
"1299335"	1016.129864	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Cl+CF3COOH"	148.962264
"1375313"	832.154924	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H-2H2O"	-35.012676
"1388435"	850.1649	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H-H2O"	-17.0027
"289216"	1735.342476	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+H"	1.007276
"686012"	2602.510076	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+H"	1.007276
"1356892"	868.174876	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H"	1.007276
"139624"	868.174876	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+2H"	2.014552
"580644"	1301.758676	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+2H"	2.014552
"1052243"	434.591076	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2H"	2.014552
"218928"	579.119009333333	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+3H"	3.021828
"656902"	868.174876	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+3H"	3.021828
"1174299"	290.063142666667	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+3H"	3.021828
"434655"	1752.369023	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+NH4"	18.033823
"798931"	2619.536623	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+NH4"	18.033823
"1687607"	885.201423	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+NH4"	18.033823
"335886"	876.6881495	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+H+NH4"	19.041099
"723690"	1310.2719495	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+H+NH4"	19.041099
"1477754"	443.1043495	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H+NH4"	19.041099
"393110"	1757.324418	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+Na"	22.989218
"754671"	2624.492018	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+Na"	22.989218
"1605527"	890.156818	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Na"	22.989218
"317750"	879.165847	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+H+Na"	23.996494
"709808"	1312.749647	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+H+Na"	23.996494
"1461518"	445.582047	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H+Na"	23.996494
"1053228"	297.390456666667	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2H+Na"	25.00377
"1257824"	900.201086	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+CH3OH+H"	33.033486
"380051"	1773.298358	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+K"	38.963158
"739948"	2640.465958	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+K"	38.963158
"1540550"	906.130758	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+K"	38.963158
"301011"	887.152817	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+H+K"	39.970434
"696714"	1320.736617	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+H+K"	39.970434
"1447252"	453.569017	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H+K"	39.970434
"242423"	1776.369026	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+ACN+H"	42.033826
"1217317"	909.201426	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+H"	42.033826
"1201202"	455.104351	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+2H"	43.041102
"199543"	1779.30636	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+2Na-H"	44.97116
"638736"	2646.47396	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+2Na-H"	44.97116
"1139330"	912.13876	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2Na-H"	44.97116
"180433"	890.156818	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+2Na"	45.978436
"627407"	1323.740618	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+2Na"	45.978436
"1123500"	456.573018	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2Na"	45.978436
"1405931"	304.717770666667	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H+2Na"	46.985712
"1433674"	914.180346	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H+HCOOH"	47.012746
"234794"	895.18984	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+3H2O+2H"	56.04448
"1521275"	928.23239	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+IsoProp+H"	61.06479
"420960"	898.143788	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+Na+K"	61.952376
"780862"	1331.727588	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+Na+K"	61.952376
"1676097"	464.559988	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Na+K"	61.952376
"256056"	1798.350968	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+ACN+Na"	64.015768
"1237522"	931.183368	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+ACN+Na"	64.015768
"1726047"	931.206893	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+NH4+HCOOH"	64.039293
"1191399"	312.045084666667	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+3Na"	68.967654
"1661291"	936.162288	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Na+HCOOH"	68.994688
"165602"	1811.25424	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+2K-H"	76.91904
"604796"	2678.42184	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+2K-H"	76.91904
"1091492"	944.08664	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2K-H"	76.91904
"147214"	906.130758	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"2M+2K"	77.926316
"588962"	1339.714558	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"3M+2K"	77.926316
"1075661"	472.546958	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2K"	77.926316
"1108883"	946.101192	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2K+H"	78.933592
"1346363"	946.188807	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+DMSO+H"	79.021207
"1017080"	950.227976	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2ACN+H"	83.060376
"1535204"	951.221608	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+IsoProp+Na+H"	84.054008
"1004813"	475.617626	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+2ACN+2H"	84.067652
"1599073"	952.136228	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+K+HCOOH"	84.968628
"1426187"	982.167738	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+H+CF3COOH"	115.000138
"1159394"	496.130901	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+3ACN+2H"	125.094202
"1709307"	999.194285	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+NH4+CF3COOH"	132.026685
"1636573"	1004.14968	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+Na+CF3COOH"	136.98208
"1580609"	1020.12362	"C05998"	"3-Hydroxyisovaleryl-CoA;3-Hydroxyisovaleryl coenzyme A"	"C26H44N7O18P3S"	"867.1676"	"M+K+CF3COOH"	152.95602
"807693"	74.0368	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M"	0
"975758"	55.01841	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"70561"	48.3505906666667	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"502907"	73.029524	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"882457"	23.6716573333333	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"2125"	73.029524	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"442051"	110.047924	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"818515"	36.011124	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"91513"	147.066324	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"527793"	221.103124	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"905594"	73.029524	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"51221"	164.092871	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"488229"	238.129671	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"868583"	90.056071	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"34299"	169.048266	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"472765"	243.085066	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"851662"	95.011466	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1622292"	95.011466	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"103198"	91.017863	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"540935"	128.036263	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"930076"	53.999463	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"279204"	183.043002	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"662879"	257.079802	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1276376"	109.006202	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"22213"	185.022206	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"460682"	259.059006	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"835567"	110.985406	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1559053"	110.985406	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"947665"	119.034994	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"363692"	193.071801	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"348670"	207.087451	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1496408"	133.050651	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"961397"	141.016951	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"119424"	109.006202	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"560078"	146.024602	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1032888"	71.987802	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1250644"	152.955685	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1316373"	155.011672	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1333505"	176.993629	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"924926"	187.022386	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1302725"	222.999064	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1375423"	39.024124	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1388545"	57.0341	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"289326"	149.080876	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"686122"	223.117676	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1357002"	75.044076	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"141347"	75.044076	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"576742"	112.062476	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1052475"	38.025676	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"218547"	50.3651426666667	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"654460"	75.044076	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1173316"	25.6862093333333	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"436224"	166.107423	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"794667"	240.144223	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1686623"	92.070623	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"335997"	83.5573495	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"724773"	120.5757495	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1477743"	46.5389495	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"394356"	171.062818	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"755107"	245.099618	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1606730"	97.026018	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"318953"	86.035047	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"709919"	123.053447	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1463130"	49.016647	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1053580"	33.0135233333333	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1258177"	107.070286	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"379797"	187.036758	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"741881"	261.073558	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1540457"	112.999958	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"301485"	94.022017	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"693540"	131.040417	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1445937"	57.003617	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"242533"	190.107426	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1217427"	116.070626	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1202405"	58.538951	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"199653"	193.04476	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"637024"	267.08156	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1138346"	119.00796	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"180543"	97.026018	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"626544"	134.044418	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1120330"	60.007618	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1404947"	40.3408373333333	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1435241"	121.049546	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"233810"	102.05904	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1521021"	135.10159	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"421070"	105.012988	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"780972"	142.031388	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1677300"	67.994588	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"257259"	212.089368	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1240180"	138.052568	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1725059"	138.076093	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1190780"	47.6681513333333	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1659578"	143.031488	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"166075"	224.99264	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"608186"	299.02944	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1090872"	150.95584	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"146230"	112.999958	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"586885"	150.018358	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1074677"	75.981558	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1108993"	152.970392	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1347565"	153.058007	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1016097"	157.097176	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1534221"	158.090808	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"1004923"	79.052226	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1599547"	159.005428	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1425204"	189.036938	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1158775"	99.565501	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1707230"	206.063485	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1638506"	211.01888	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1580719"	226.99282	"C05999"	"Lactaldehyde;2-Hydroxypropionaldehyde;2-Hydroxypropanal"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"807803"	853.152	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M"	0
"981335"	834.13361	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H2O-H"	-19.01839
"73951"	567.760724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-3H"	-3.021828
"503305"	852.144724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-3H"	-3.021828
"881474"	283.376724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-3H"	-3.021828
"3329"	852.144724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H"	-2.014552
"442890"	1278.720724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H"	-2.014552
"818504"	425.568724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H"	-2.014552
"91988"	1705.296724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H"	-1.007276
"529726"	2558.448724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H"	-1.007276
"905704"	852.144724	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H"	-1.007276
"49265"	1722.323271	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+NH4"	16.019271
"489797"	2575.475271	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+NH4"	16.019271
"868694"	869.171271	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+NH4"	16.019271
"37688"	1727.278666	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+Na"	20.974666
"473968"	2580.430666	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+Na"	20.974666
"853960"	874.126666	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+Na"	20.974666
"1624589"	874.126666	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na-2H"	20.974666
"104402"	870.133063	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H+Cl"	33.962126
"541045"	1296.709063	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H+Cl"	33.962126
"935291"	443.557063	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+Cl"	33.962126
"280288"	1741.273402	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Cl"	34.969402
"667362"	2594.425402	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Cl"	34.969402
"1278673"	888.121402	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl"	34.969402
"24510"	1743.252606	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+K"	36.948606
"461885"	2596.404606	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+K"	36.948606
"835313"	890.100606	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+K"	36.948606
"1558799"	890.100606	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K-2H"	36.948606
"944130"	898.150194	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+HCOOH"	44.998194
"369271"	1751.302201	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+HCOOH-H"	44.998201
"347320"	1765.317851	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Hac-H"	59.013851
"1495425"	912.165851	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Hac-H"	59.013851
"960780"	920.132151	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+NaCOOH"	66.980151
"119534"	888.121402	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Cl"	69.938804
"560187"	1314.697402	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Cl"	69.938804
"1033362"	461.545402	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Cl"	69.938804
"1251847"	932.070885	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Br"	78.918885
"1317576"	934.126872	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+HCOOH"	80.974872
"1333252"	956.108829	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+NaCOOH"	102.956829
"926009"	966.137586	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+CF3COOH"	112.985586
"1298463"	1002.114264	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+CF3COOH"	148.962264
"1374440"	818.139324	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-2H2O"	-35.012676
"1388655"	836.1493	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-H2O"	-17.0027
"289436"	1707.311276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H"	1.007276
"687326"	2560.463276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H"	1.007276
"1358205"	854.159276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H"	1.007276
"141023"	854.159276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2H"	2.014552
"579407"	1280.735276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2H"	2.014552
"1052339"	427.583276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H"	2.014552
"217564"	569.775276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H"	3.021828
"653477"	854.159276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+3H"	3.021828
"1172333"	285.391276	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3H"	3.021828
"434877"	1724.337823	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+NH4"	18.033823
"794778"	2577.489823	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+NH4"	18.033823
"1685641"	871.185823	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4"	18.033823
"333921"	862.6725495	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+NH4"	19.041099
"724520"	1289.2485495	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+NH4"	19.041099
"1477975"	436.0965495	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+NH4"	19.041099
"394829"	1729.293218	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na"	22.989218
"757648"	2582.445218	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na"	22.989218
"1605017"	876.141218	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na"	22.989218
"317606"	865.150247	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+Na"	23.996494
"711487"	1291.726247	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+Na"	23.996494
"1465306"	438.574247	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+Na"	23.996494
"1055637"	292.71859	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H+Na"	25.00377
"1258289"	886.185486	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+CH3OH+H"	33.033486
"377835"	1745.267158	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+K"	38.963158
"740167"	2598.419158	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+K"	38.963158
"1542229"	892.115158	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K"	38.963158
"303416"	873.137217	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+K"	39.970434
"694016"	1299.713217	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+K"	39.970434
"1446613"	446.561217	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+K"	39.970434
"242643"	1748.337826	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+H"	42.033826
"1218631"	895.185826	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+H"	42.033826
"1203610"	448.096551	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+2H"	43.041102
"199762"	1751.27516	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na-H"	44.97116
"640050"	2604.42716	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na-H"	44.97116
"1138456"	898.12316	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na-H"	44.97116
"182840"	876.141218	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na"	45.978436
"624589"	1302.717218	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na"	45.978436
"1120804"	449.565218	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na"	45.978436
"1407244"	300.045904	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+2Na"	46.985712
"1436080"	900.164746	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+HCOOH"	47.012746
"234041"	881.17424	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H2O+2H"	56.04448
"1519308"	914.21679	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+H"	61.06479
"420087"	884.128188	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na+K"	61.952376
"783514"	1310.704188	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na+K"	61.952376
"1677410"	457.552188	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+K"	61.952376
"256276"	1770.319768	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+Na"	64.015768
"1238470"	917.167768	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+Na"	64.015768
"1725898"	917.191293	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+HCOOH"	64.039293
"1189794"	307.373218	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3Na"	68.967654
"1662240"	922.146688	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+HCOOH"	68.994688
"168372"	1783.22304	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K-H"	76.91904
"607203"	2636.37504	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K-H"	76.91904
"1092804"	930.07104	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K-H"	76.91904
"147434"	892.115158	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K"	77.926316
"588090"	1318.691158	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K"	77.926316
"1075881"	465.539158	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K"	77.926316
"1109103"	932.085592	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K+H"	78.933592
"1348765"	932.173207	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+DMSO+H"	79.021207
"1018393"	936.212376	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+H"	83.060376
"1536518"	937.206008	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+Na+H"	84.054008
"1005033"	468.609826	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+2H"	84.067652
"1601480"	938.120628	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+HCOOH"	84.968628
"1426409"	968.152138	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+CF3COOH"	115.000138
"1158885"	489.123101	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3ACN+2H"	125.094202
"1709527"	985.178685	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+CF3COOH"	132.026685
"1639709"	990.13408	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+CF3COOH"	136.98208
"1580829"	1006.10802	"C06000"	"(S)-3-Hydroxyisobutyryl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+CF3COOH"	152.95602
"807913"	104.0473	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M"	0
"978165"	85.02891	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"67501"	68.3575906666667	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"503774"	103.040024	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"880491"	33.6751573333333	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"3439"	103.040024	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"443000"	155.063674	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"818614"	51.016374	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"91734"	207.087324	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"530930"	311.134624	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"906908"	103.040024	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"49375"	224.113871	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"489178"	328.161171	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"868804"	120.066571	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"34518"	229.069266	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"475171"	333.116566	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"852977"	125.021966	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1623606"	125.021966	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"102325"	121.028363	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"540061"	173.052013	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"935400"	69.004713	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"278332"	243.064002	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"666378"	347.111302	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1278783"	139.016702	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"23527"	245.043206	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"461995"	349.090506	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"838702"	140.995906	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1558909"	140.995906	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"945700"	149.045494	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"369381"	253.092801	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"347427"	267.108451	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1495535"	163.061151	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"959550"	171.027451	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"117457"	139.016702	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"559203"	191.040352	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1031285"	86.993052	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1255967"	182.966185	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1319147"	185.022172	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1335389"	207.004129	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"926244"	217.032886	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1298574"	253.009564	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1378924"	69.034624	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1394232"	87.0446	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"292823"	209.101876	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"689985"	313.149176	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1361596"	105.054576	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"140684"	105.054576	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"577326"	157.078226	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1052208"	53.030926	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"219301"	70.3721426666667	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"654681"	105.054576	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1170620"	35.6897093333333	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"434987"	226.128423	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"799263"	330.175723	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1686844"	122.081123	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"336217"	113.5678495	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"727910"	165.5914995	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1477962"	61.5441995	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"394941"	231.083818	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"754841"	335.131118	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1608044"	127.036518	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"316623"	116.045547	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"712690"	168.069197	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1462618"	64.021897	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1059754"	43.0170233333333	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1262527"	137.080786	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"378189"	247.057758	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"739914"	351.105058	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1547446"	143.010458	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"299516"	124.032517	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"693397"	176.056167	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1447937"	72.008867	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"240564"	250.128426	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1215461"	146.081126	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1201534"	73.544201	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"200966"	253.06576	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"636152"	357.11306	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1144034"	149.01846	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"179669"	127.036518	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"623606"	179.060168	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1122737"	75.012868	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1405168"	50.3443373333333	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1432908"	151.060046	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"222605"	132.06954	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1519418"	165.11209	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"421291"	135.023488	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"777912"	187.047138	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1673147"	82.999838	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"254199"	272.110368	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1240038"	168.063068	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1724913"	168.086593	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1189903"	57.6716513333333	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1662348"	173.041988	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"169206"	285.01364	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"606215"	389.06094	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1092914"	180.96634	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"147543"	143.010458	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"583822"	195.034108	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1074898"	90.986808	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1112495"	182.980892	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1348514"	183.068507	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1018503"	187.107676	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1537722"	188.101308	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"1004780"	94.057476	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1601833"	189.015928	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1426519"	219.047438	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1158995"	114.570751	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1710730"	236.073985	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1639819"	241.02938	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1580939"	257.00332	"C06001"	"(S)-3-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"808023"	102.0317	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M"	0
"981555"	83.01331	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H2O-H"	-19.01839
"70891"	67.0138573333333	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-3H"	-3.021828
"507170"	101.024424	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-3H"	-3.021828
"883879"	33.0032906666667	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-3H"	-3.021828
"1359"	101.024424	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H"	-2.014552
"443108"	152.040274	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H"	-2.014552
"819817"	50.008574	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H"	-2.014552
"92937"	203.056124	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-H"	-1.007276
"532133"	305.087824	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-H"	-1.007276
"908841"	101.024424	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H"	-1.007276
"51551"	220.082671	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+NH4"	16.019271
"491111"	322.114371	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+NH4"	16.019271
"871101"	118.050971	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+NH4"	16.019271
"36815"	225.038066	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+Na"	20.974666
"475283"	327.069766	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+Na"	20.974666
"853087"	123.006366	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+Na"	20.974666
"1630276"	123.006366	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na-2H"	20.974666
"108753"	119.012763	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-H+Cl"	33.962126
"545275"	170.028613	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-H+Cl"	33.962126
"937697"	67.996913	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+Cl"	33.962126
"275160"	239.032802	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Cl"	34.969402
"667580"	341.064502	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Cl"	34.969402
"1277798"	137.001102	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl"	34.969402
"25824"	241.012006	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+K"	36.948606
"465386"	343.043706	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+K"	36.948606
"842092"	138.980306	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+K"	36.948606
"1559019"	138.980306	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K-2H"	36.948606
"951276"	147.029894	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+HCOOH"	44.998194
"370585"	249.061601	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+HCOOH-H"	44.998201
"347905"	263.077251	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Hac-H"	59.013851
"1497831"	161.045551	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Hac-H"	59.013851
"962094"	169.011851	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+NaCOOH"	66.980151
"121941"	137.001102	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Cl"	69.938804
"557126"	188.016952	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Cl"	69.938804
"1029205"	85.985252	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Cl"	69.938804
"1256441"	180.950585	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Br"	78.918885
"1319828"	183.006572	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+HCOOH"	80.974872
"1334807"	204.988529	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+NaCOOH"	102.956829
"925986"	215.017286	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+CF3COOH"	112.985586
"1299777"	250.993964	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+CF3COOH"	148.962264
"1380127"	67.019024	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H-2H2O"	-35.012676
"1396529"	85.029	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H-H2O"	-17.0027
"292933"	205.070676	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H"	1.007276
"689003"	307.102376	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H"	1.007276
"1362801"	103.038976	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H"	1.007276
"141039"	103.038976	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2H"	2.014552
"579990"	154.054826	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2H"	2.014552
"1052653"	52.023126	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2H"	2.014552
"219488"	69.0284093333333	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+3H"	3.021828
"655884"	103.038976	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+3H"	3.021828
"1170730"	35.0178426666667	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3H"	3.021828
"435097"	222.097223	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+NH4"	18.033823
"799374"	324.128923	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+NH4"	18.033823
"1689142"	120.065523	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4"	18.033823
"340701"	111.5522495	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+NH4"	19.041099
"730937"	162.5680995	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+NH4"	19.041099
"1481475"	60.5363995	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+NH4"	19.041099
"397968"	227.052618	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Na"	22.989218
"761151"	329.084318	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Na"	22.989218
"1612529"	125.020918	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na"	22.989218
"322565"	114.029947	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+Na"	23.996494
"717174"	165.045797	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+Na"	23.996494
"1472088"	63.014097	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+Na"	23.996494
"1058776"	42.3451566666667	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2H+Na"	25.00377
"1264828"	135.065186	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+CH3OH+H"	33.033486
"380852"	243.026558	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+K"	38.963158
"740392"	345.058258	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+K"	38.963158
"1547556"	140.994858	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K"	38.963158
"301453"	122.016917	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+K"	39.970434
"694969"	173.032767	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+K"	39.970434
"1447693"	71.001067	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+K"	39.970434
"240674"	246.097226	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+ACN+H"	42.033826
"1215570"	144.065526	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+H"	42.033826
"1202737"	72.536401	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+2H"	43.041102
"198889"	249.03456	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Na-H"	44.97116
"636261"	351.06626	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Na-H"	44.97116
"1143780"	147.00286	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Na-H"	44.97116
"180143"	125.020918	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Na"	45.978436
"622623"	176.036768	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Na"	45.978436
"1123211"	74.005068	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Na"	45.978436
"1405278"	49.6724706666667	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+2Na"	46.985712
"1433747"	149.044446	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+HCOOH"	47.012746
"224171"	130.05394	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+3H2O+2H"	56.04448
"1520622"	163.09649	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+IsoProp+H"	61.06479
"419215"	133.007888	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Na+K"	61.952376
"780209"	184.023738	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Na+K"	61.952376
"1674350"	81.992038	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+K"	61.952376
"257589"	268.079168	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+ACN+Na"	64.015768
"1238687"	166.047468	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+Na"	64.015768
"1724655"	166.070993	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4+HCOOH"	64.039293
"1186734"	56.9997846666667	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3Na"	68.967654
"1660997"	171.026388	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+HCOOH"	68.994688
"169316"	280.98244	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2K-H"	76.91904
"607054"	383.01414	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2K-H"	76.91904
"1091930"	178.95074	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K-H"	76.91904
"146560"	140.994858	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2K"	77.926316
"582839"	192.010708	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2K"	77.926316
"1073915"	89.979008	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K"	77.926316
"1112602"	180.965292	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K+H"	78.933592
"1350690"	181.052907	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+DMSO+H"	79.021207
"1018613"	185.092076	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2ACN+H"	83.060376
"1536617"	186.085708	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+IsoProp+Na+H"	84.054008
"1005011"	93.049676	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2ACN+2H"	84.067652
"1602063"	187.000328	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K+HCOOH"	84.968628
"1426626"	217.031838	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+CF3COOH"	115.000138
"1158012"	113.562951	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3ACN+2H"	125.094202
"1707560"	234.058385	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4+CF3COOH"	132.026685
"1638836"	239.01378	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+CF3COOH"	136.98208
"1581049"	254.98772	"C06002"	"(S)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K+CF3COOH"	152.95602
"808133"	146.0579	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M"	0
"978385"	127.03951	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"71001"	96.3646573333333	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"503271"	145.050624	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"880709"	47.6786906666667	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"495"	145.050624	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"440021"	218.079574	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"817741"	72.021674	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"89767"	291.108524	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"528233"	437.166424	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"901660"	145.050624	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"48502"	308.135071	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"487575"	454.192971	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"867931"	162.077171	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"33645"	313.090466	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"473205"	459.148366	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"853197"	167.032566	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1632209"	167.032566	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"105825"	163.038963	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"544291"	236.067913	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"935621"	90.010013	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"274177"	327.085202	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"672063"	473.143102	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1273898"	181.027302	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"27028"	329.064406	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"464401"	475.122306	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"835641"	183.006506	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1560222"	183.006506	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"950293"	191.056094	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"366321"	337.114001	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"346431"	351.129651	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1493568"	205.071751	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"962204"	213.038051	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"120958"	181.027302	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"557236"	254.056252	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1029315"	107.998352	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1256551"	224.976785	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1319489"	227.032772	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1335163"	249.014729	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"926100"	259.043486	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1303171"	295.020164	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1380237"	111.045224	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1394454"	129.0552	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"294140"	293.123076	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"688385"	439.180976	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1364734"	147.065176	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"138718"	147.065176	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"580100"	220.094126	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1052305"	74.036226	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"217166"	98.3792093333333	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"653808"	147.065176	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1176308"	49.6932426666667	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"430832"	310.149623	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"799119"	456.207523	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1688159"	164.091723	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"337530"	155.5784495	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"730316"	228.6073995	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1477572"	82.5494995	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"398080"	315.105018	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"759074"	461.162918	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1609360"	169.047118	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"322678"	158.056147	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"718378"	231.085097	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1468918"	85.027197	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1062164"	57.0205566666667	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1264939"	179.091386	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"383514"	331.078958	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"740501"	477.136858	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1540204"	185.021058	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"299370"	166.043117	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"696172"	239.072067	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1449988"	93.014167	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"241878"	334.149626	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1215680"	188.091726	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1201754"	94.549501	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"197906"	337.08696	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"634185"	483.14486	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1143890"	191.02906	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"178795"	169.047118	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"621640"	242.076068	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1121499"	96.018168	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1403929"	64.3478706666667	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1432763"	193.070646	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"223552"	174.08014	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1520732"	207.12269	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"419325"	177.034088	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"778132"	250.063038	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1674460"	104.005138	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"257699"	356.131568	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1237704"	210.073668	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1722579"	210.097193	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1185751"	71.6751846666667	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1658921"	215.052588	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"167968"	369.03484	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"604249"	515.09274	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1089854"	222.97694	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"146670"	185.021058	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"581411"	258.050008	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1075118"	111.992108	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1107242"	224.991492	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1341438"	225.079107	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1016531"	229.118276	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1527365"	230.111908	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"1005323"	115.062776	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1602621"	231.026528	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1424549"	261.058038	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1160307"	135.576051	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1706576"	278.084585	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1642226"	283.03998	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1577879"	299.01392	"C06006"	"(S)-2-Aceto-2-hydroxybutanoate;(S)-2-Hydroxy-2-ethyl-3-oxobutanoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"808243"	148.0736	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M"	0
"980683"	129.05521	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"67831"	97.7084573333333	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"504839"	147.066324	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"881547"	48.3505906666667	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"1583"	147.066324	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"442237"	221.103124	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"817851"	73.029524	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"93038"	295.139924	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"529436"	443.213524	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"902863"	147.066324	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"49948"	312.166471	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"491697"	460.240071	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"868405"	164.092871	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"34119"	317.121866	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"473315"	465.195466	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"853671"	169.048266	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1623935"	169.048266	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"107027"	165.054663	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"544401"	239.091463	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"936825"	91.017863	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"277568"	331.116602	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"664521"	479.190202	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1275099"	183.043002	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"20576"	333.095806	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"460138"	481.169406	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"836845"	185.022206	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1560334"	185.022206	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"949310"	193.071794	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"362785"	341.145401	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"347756"	355.161051	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1494042"	207.087451	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"960125"	215.053751	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"121066"	183.043002	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"557345"	257.079802	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1035989"	109.006202	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1256177"	226.992485	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1319804"	229.048472	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1335150"	251.030429	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"926696"	261.059186	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1303283"	297.035864	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1382170"	113.060924	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1394564"	131.0709	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"296806"	297.154476	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"691006"	445.228076	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1366303"	149.080876	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"139919"	149.080876	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"579845"	223.117676	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1052417"	75.044076	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"218736"	99.7230093333333	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"651732"	149.080876	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1168763"	50.3651426666667	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"434225"	314.181023	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"795219"	462.254623	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1690458"	166.107423	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"337643"	157.5941495	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"730066"	231.6309495	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1478776"	83.5573495	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"399283"	319.136418	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"761372"	467.210018	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1610564"	171.062818	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"323882"	160.071847	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"717394"	234.108647	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1470123"	86.035047	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1062275"	57.6924566666667	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1269422"	181.107086	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"385810"	335.110358	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"744617"	483.183958	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1545581"	187.036758	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"301663"	168.058817	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"692998"	242.095617	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1451191"	94.022017	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"241988"	338.181026	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1217976"	190.107426	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1204779"	95.557351	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"199838"	341.11836	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"635388"	489.19196	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1144364"	193.04476	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"176718"	171.062818	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"622843"	245.099618	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1121974"	97.026018	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1404768"	65.0197706666667	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1434695"	195.086346	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"224392"	176.09584	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1519022"	209.13839	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"419436"	179.049788	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"781157"	253.086588	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1674571"	105.012988	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"256716"	360.162968	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1236356"	212.089368	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1720867"	212.112893	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1188776"	72.3470846666667	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1661583"	217.068288	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"165889"	373.06624	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"603631"	521.13984	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1086684"	224.99264	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"143500"	187.036758	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"582083"	261.073558	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1074864"	112.999958	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1109539"	227.007192	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1341547"	227.094807	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1015548"	231.133976	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1528204"	232.127608	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"1003407"	116.070626	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1602703"	233.042228	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1424659"	263.073738	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1157137"	136.583901	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1706686"	280.100285	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1641243"	285.05568	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1573613"	301.02962	"C06007"	"(R)-23-Dihydroxy-3-methylpentanoate;(R)-23-Dihydroxy-3-methylvalerate;(2R3R)-23-Dihydroxy-3-methylpentanoate"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"808353"	130.063	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M"	0
"981886"	111.04461	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"71221"	85.7013906666667	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"504221"	129.055724	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"883116"	42.3470573333333	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"1693"	129.055724	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"442347"	194.087224	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"818323"	64.024224	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"93633"	259.118724	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"529546"	389.181724	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"900787"	129.055724	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"52975"	276.145271	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"490714"	406.208271	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"870704"	146.082271	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"34958"	281.100666	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"474154"	411.163666	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"853417"	151.037666	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1624045"	151.037666	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"102764"	147.044063	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"545605"	212.075563	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"936935"	82.012563	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"271117"	295.095402	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"663538"	425.158402	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1274847"	165.032402	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"23967"	297.074606	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"463528"	427.137606	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"843515"	167.011606	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1562630"	167.011606	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"952700"	175.061194	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"366541"	305.124201	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"350423"	319.139851	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1495975"	189.076851	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"960237"	197.043151	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"122269"	165.032402	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"557455"	230.063902	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1035003"	100.000902	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1255679"	208.981885	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1319224"	211.037872	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1334414"	233.019829	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"925594"	243.048586	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1301941"	279.025264	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1381551"	95.050324	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1396498"	113.0603	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"294359"	261.133276	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"690793"	391.196276	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1366410"	131.070276	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H"	1.007276
"140759"	131.070276	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"575580"	196.101776	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1047656"	66.038776	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"217391"	87.7159426666667	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"657310"	131.070276	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1173248"	44.3616093333333	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"435794"	278.159823	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"795330"	408.222823	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1688381"	148.096823	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"337753"	139.5835495	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"730176"	204.6150495	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1479982"	74.5520495	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"398299"	283.115218	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"762575"	413.178218	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1611769"	153.052218	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"326178"	142.061247	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"717506"	207.092747	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1471328"	77.029747	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1064573"	51.6889233333333	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1265159"	163.096486	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"384827"	299.089158	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"746917"	429.152158	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1543505"	169.026158	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+K"	38.963158
"303961"	150.048217	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"692743"	215.079717	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1450209"	85.016717	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"244285"	302.159826	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1216991"	172.096826	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1203067"	86.552051	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"199219"	305.09716	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"635498"	435.16016	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1143381"	175.03416	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"179015"	153.052218	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"621860"	218.083718	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1122448"	88.020718	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1403056"	59.0162373333333	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1434440"	177.075746	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"224501"	158.08524	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1512202"	191.12779	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"417723"	161.039188	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"779445"	226.070688	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1672494"	96.007688	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"254639"	324.141768	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1234280"	194.078768	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1722435"	194.102293	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1187430"	66.3435513333333	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1660964"	199.057688	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"164906"	337.04504	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"604105"	467.10804	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1086794"	206.98204	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"143610"	169.026158	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"582070"	234.057658	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1073151"	103.994658	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1103084"	208.996592	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1339467"	209.084207	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1010185"	213.123376	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1524902"	214.117008	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1002418"	107.065326	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1592545"	215.031628	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1425862"	245.063138	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1157247"	127.578601	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1705703"	262.089685	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1640260"	267.04508	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1572630"	283.01902	"C06008"	"(3R)-3-Methyl-2-oxopentanoic acid;(R)-2-Oxo-3-methylpentanoic acid;(R)-2-Oxo-3-methylpentanoate"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"808463"	132.0423	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M"	0
"981997"	113.02391	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"78491"	87.020924	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"510892"	131.035024	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"886507"	43.006824	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"7270"	131.035024	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"442457"	197.056174	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"825728"	65.013874	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"93378"	263.077324	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"531843"	395.119624	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"903085"	131.035024	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"56366"	280.103871	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"497020"	412.146171	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"871543"	148.061571	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"39444"	285.059266	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"477909"	417.101566	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"856809"	153.016966	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1622330"	153.016966	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"105061"	149.023363	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"543529"	215.044513	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"939232"	83.002213	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"273414"	299.054002	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"672394"	431.096302	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1281519"	167.011702	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"27357"	301.033206	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"468014"	433.075506	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"845815"	168.990906	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1566021"	168.990906	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"951719"	177.040494	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"374307"	309.082801	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"351628"	323.098451	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1499367"	191.056151	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"966910"	199.022451	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"123840"	167.011702	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"562668"	233.032852	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1035113"	100.990552	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1256520"	210.961185	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1318360"	213.017172	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1335257"	234.999129	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"926599"	245.027886	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1303022"	281.004564	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1381300"	97.029624	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1397341"	115.0396	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"297632"	265.091876	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"690906"	397.134176	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1367024"	133.049576	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"141211"	133.049576	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"579701"	199.070726	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1047768"	67.028426	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"217138"	89.035476	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"655234"	133.049576	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1177006"	45.021376	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"436268"	282.118423	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"797995"	414.160723	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1688491"	150.076123	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"340050"	141.5628495	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"732472"	207.5839995	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1482643"	75.5416995	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"400598"	287.073818	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"767058"	419.116118	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1614065"	155.031518	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"328477"	144.040547	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"719803"	210.061697	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1476423"	78.019397	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1063590"	52.34869	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1268549"	165.075786	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"391865"	303.047758	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"750306"	435.090058	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1546892"	171.005458	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"304069"	152.027517	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"696499"	218.048667	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1449227"	86.006367	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"241107"	306.118426	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1217101"	174.076126	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1198797"	87.541701	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"201517"	309.05576	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"638887"	441.09806	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1144949"	177.01346	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"181313"	155.031518	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"621970"	221.052668	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1123287"	89.010368	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1403895"	59.676004	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1437101"	179.055046	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"226433"	160.06454	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1513405"	193.10709	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"419655"	163.018488	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"779553"	229.039638	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1673697"	96.997338	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"256570"	328.100368	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1235116"	196.058068	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1720719"	196.081593	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1188266"	67.003318	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1658156"	201.036988	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"162831"	341.00364	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"601299"	473.04594	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1085445"	208.96134	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"143721"	171.005458	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"584003"	237.026608	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1069612"	104.984308	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1101368"	210.975892	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1338484"	211.063507	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1007741"	215.102676	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1525378"	216.096308	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"992682"	108.054976	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1592655"	217.010928	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1417220"	247.042438	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1160637"	128.568251	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1705813"	264.068985	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1640370"	269.02438	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1572740"	284.99832	"C06010"	"(S)-2-Acetolactate;(S)-2-Hydroxy-2-methyl-3-oxobutanoate;(2S)-2-Hydroxy-2-methyl-3-oxobutanoate"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"811856"	172.0068	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M"	0
"982107"	152.98841	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-H2O-H"	-19.01839
"64881"	113.663924	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M-3H"	-3.021828
"508815"	170.999524	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M-3H"	-3.021828
"886617"	56.328324	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-3H"	-3.021828
"7380"	170.999524	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M-2H"	-2.014552
"441474"	257.002924	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M-2H"	-2.014552
"825838"	84.996124	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-2H"	-2.014552
"92393"	343.006324	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M-H"	-1.007276
"528674"	515.013124	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M-H"	-1.007276
"903197"	170.999524	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-H"	-1.007276
"55384"	360.032871	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M-2H+NH4"	16.019271
"496037"	532.039671	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M-2H+NH4"	16.019271
"870560"	188.026071	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-2H+NH4"	16.019271
"38461"	364.988266	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M-2H+Na"	20.974666
"479113"	536.995066	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M-2H+Na"	20.974666
"856919"	192.981466	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-2H+Na"	20.974666
"1622439"	192.981466	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Na-2H"	20.974666
"104078"	188.987863	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M-H+Cl"	33.962126
"543639"	274.991263	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M-H+Cl"	33.962126
"934966"	102.984463	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-H+Cl"	33.962126
"278991"	378.983002	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+Cl"	34.969402
"670317"	550.989802	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+Cl"	34.969402
"1282722"	206.976202	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Cl"	34.969402
"24186"	380.962206	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M-2H+K"	36.948606
"469216"	552.969006	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M-2H+K"	36.948606
"847020"	208.955406	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-2H+K"	36.948606
"1565037"	208.955406	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+K-2H"	36.948606
"947454"	217.004994	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-H+HCOOH"	44.998194
"374416"	389.011801	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+HCOOH-H"	44.998201
"353926"	403.027451	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+Hac-H"	59.013851
"1499478"	231.020651	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Hac-H"	59.013851
"964832"	238.986951	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-H+NaCOOH"	66.980151
"120303"	206.976202	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+2Cl"	69.938804
"564236"	292.979602	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+2Cl"	69.938804
"1035714"	120.972802	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2Cl"	69.938804
"1256510"	250.925685	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Br"	78.918885
"1318591"	252.981672	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Cl+HCOOH"	80.974872
"1333667"	274.963629	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Cl+NaCOOH"	102.956829
"926302"	284.992386	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M-H+CF3COOH"	112.985586
"1302521"	320.969064	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Cl+CF3COOH"	148.962264
"1381898"	136.994124	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H-2H2O"	-35.012676
"1397574"	155.0041	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H-H2O"	-17.0027
"297740"	345.020876	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+H"	1.007276
"690531"	517.027676	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+H"	1.007276
"1366151"	173.014076	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H"	1.007276
"140495"	173.014076	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+2H"	2.014552
"580542"	259.017476	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+2H"	2.014552
"1046785"	87.010676	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2H"	2.014552
"216155"	115.678476	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+3H"	3.021828
"653158"	173.014076	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+3H"	3.021828
"1175293"	58.342876	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+3H"	3.021828
"436744"	362.047423	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+NH4"	18.033823
"797738"	534.054223	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+NH4"	18.033823
"1690788"	190.040623	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+NH4"	18.033823
"341253"	181.5273495	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+H+NH4"	19.041099
"733311"	267.5307495	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+H+NH4"	19.041099
"1480932"	95.5239495	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H+NH4"	19.041099
"397791"	367.002818	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+Na"	22.989218
"761702"	539.009618	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+Na"	22.989218
"1608706"	194.996018	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Na"	22.989218
"323118"	184.005047	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+H+Na"	23.996494
"716634"	270.008447	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+H+Na"	23.996494
"1474830"	98.001647	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H+Na"	23.996494
"1063701"	65.67019	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2H+Na"	25.00377
"1266473"	205.040286	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+CH3OH+H"	33.033486
"388329"	382.976758	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+K"	38.963158
"748230"	554.983558	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+K"	38.963158
"1545909"	210.969958	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+K"	38.963158
"307459"	191.992017	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+H+K"	39.970434
"698793"	277.995417	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+H+K"	39.970434
"1449337"	105.988617	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H+K"	39.970434
"239031"	386.047426	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+ACN+H"	42.033826
"1217211"	214.040626	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+ACN+H"	42.033826
"1197448"	107.523951	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+ACN+2H"	43.041102
"198347"	388.98476	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+2Na-H"	44.97116
"638997"	560.99156	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+2Na-H"	44.97116
"1142507"	216.97796	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2Na-H"	44.97116
"181423"	194.996018	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+2Na"	45.978436
"619164"	280.999418	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+2Na"	45.978436
"1120482"	108.992618	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2Na"	45.978436
"1401819"	72.997504	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H+2Na"	46.985712
"1434660"	219.019546	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H+HCOOH"	47.012746
"226543"	200.02904	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+3H2O+2H"	56.04448
"1512786"	233.07159	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+IsoProp+H"	61.06479
"418672"	202.982988	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+Na+K"	61.952376
"778570"	288.986388	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+Na+K"	61.952376
"1672714"	116.979588	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Na+K"	61.952376
"257045"	408.029368	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+ACN+Na"	64.015768
"1231947"	236.022568	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+ACN+Na"	64.015768
"1717550"	236.046093	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+NH4+HCOOH"	64.039293
"1187282"	80.324818	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+3Na"	68.967654
"1658266"	241.001488	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Na+HCOOH"	68.994688
"162940"	420.93264	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+2K-H"	76.91904
"601409"	592.93944	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+2K-H"	76.91904
"1085191"	248.92584	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2K-H"	76.91904
"143831"	210.969958	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"2M+2K"	77.926316
"583750"	296.973358	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"3M+2K"	77.926316
"1075559"	124.966558	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2K"	77.926316
"1101478"	250.940392	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2K+H"	78.933592
"1337622"	251.028007	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+DMSO+H"	79.021207
"1006758"	255.067176	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2ACN+H"	83.060376
"1527434"	256.060808	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+IsoProp+Na+H"	84.054008
"992792"	128.037226	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+2ACN+2H"	84.067652
"1592765"	256.975428	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+K+HCOOH"	84.968628
"1416237"	287.006938	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+H+CF3COOH"	115.000138
"1158561"	148.550501	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+3ACN+2H"	125.094202
"1705923"	304.033485	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+NH4+CF3COOH"	132.026685
"1644856"	308.98888	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+Na+CF3COOH"	136.98208
"1578319"	324.96282	"C06011"	"Benzenamine sulfate"	"C6H6NO3S"	"172.0068"	"M+K+CF3COOH"	152.95602
"808684"	578.055	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M"	0
"985497"	559.03661	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-H2O-H"	-19.01839
"69366"	384.362724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M-3H"	-3.021828
"505646"	577.047724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M-3H"	-3.021828
"888917"	191.677724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-3H"	-3.021828
"6397"	577.047724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M-2H"	-2.014552
"443770"	866.075224	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M-2H"	-2.014552
"829232"	288.020224	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-2H"	-2.014552
"85944"	1155.102724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M-H"	-1.007276
"527691"	1733.157724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M-H"	-1.007276
"905494"	577.047724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-H"	-1.007276
"53307"	1172.129271	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M-2H+NH4"	16.019271
"490316"	1750.184271	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M-2H+NH4"	16.019271
"868845"	594.074271	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-2H+NH4"	16.019271
"34924"	1177.084666	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M-2H+Na"	20.974666
"473394"	1755.139666	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M-2H+Na"	20.974666
"851561"	599.029666	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-2H+Na"	20.974666
"1623652"	599.029666	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Na-2H"	20.974666
"99815"	595.036063	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M-H+Cl"	33.962126
"538281"	884.063563	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M-H+Cl"	33.962126
"932890"	306.008563	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-H+Cl"	33.962126
"275819"	1191.079402	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+Cl"	34.969402
"666052"	1769.134402	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+Cl"	34.969402
"1278459"	613.024402	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Cl"	34.969402
"21018"	1193.058606	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M-2H+K"	36.948606
"468962"	1771.113606	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M-2H+K"	36.948606
"846034"	615.003606	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-2H+K"	36.948606
"1568793"	615.003606	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+K-2H"	36.948606
"957043"	623.053194	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-H+HCOOH"	44.998194
"366872"	1201.108201	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+HCOOH-H"	44.998201
"351848"	1215.123851	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+Hac-H"	59.013851
"1501775"	637.068851	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Hac-H"	59.013851
"967132"	645.035151	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-H+NaCOOH"	66.980151
"124423"	613.024402	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+2Cl"	69.938804
"564346"	902.051902	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+2Cl"	69.938804
"1034243"	323.996902	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2Cl"	69.938804
"1256255"	656.973885	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Br"	78.918885
"1319311"	659.029872	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Cl+HCOOH"	80.974872
"1333772"	681.011829	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Cl+NaCOOH"	102.956829
"926167"	691.040586	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M-H+CF3COOH"	112.985586
"1302630"	727.017264	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Cl+CF3COOH"	148.962264
"1380431"	543.042324	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H-2H2O"	-35.012676
"1397076"	561.0523	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H-H2O"	-17.0027
"297855"	1157.117276	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+H"	1.007276
"689670"	1735.172276	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+H"	1.007276
"1366137"	579.062276	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H"	1.007276
"140363"	579.062276	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+2H"	2.014552
"580165"	868.089776	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+2H"	2.014552
"1050551"	290.034776	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2H"	2.014552
"218690"	386.377276	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+3H"	3.021828
"654362"	579.062276	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+3H"	3.021828
"1175283"	193.692276	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+3H"	3.021828
"437589"	1174.143823	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+NH4"	18.033823
"798580"	1752.198823	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+NH4"	18.033823
"1693817"	596.088823	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+NH4"	18.033823
"339175"	587.5755495	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+H+NH4"	19.041099
"725035"	876.6030495	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+H+NH4"	19.041099
"1483230"	298.5480495	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H+NH4"	19.041099
"398264"	1179.099218	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+Na"	22.989218
"760718"	1757.154218	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+Na"	22.989218
"1608816"	601.044218	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Na"	22.989218
"319946"	590.053247	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+H+Na"	23.996494
"715647"	879.080747	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+H+Na"	23.996494
"1470565"	301.025747	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H+Na"	23.996494
"1061625"	201.01959	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2H+Na"	25.00377
"1265490"	611.088486	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+CH3OH+H"	33.033486
"388439"	1195.073158	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+K"	38.963158
"746154"	1773.128158	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+K"	38.963158
"1549299"	617.018158	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+K"	38.963158
"304293"	598.040217	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+H+K"	39.970434
"693440"	887.067717	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+H+K"	39.970434
"1451631"	309.012717	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H+K"	39.970434
"239144"	1198.143826	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+ACN+H"	42.033826
"1220605"	620.088826	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+ACN+H"	42.033826
"1205587"	310.548051	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+ACN+2H"	43.041102
"199553"	1201.08116	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+2Na-H"	44.97116
"641668"	1779.13616	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+2Na-H"	44.97116
"1146025"	623.02616	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2Na-H"	44.97116
"183724"	601.044218	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+2Na"	45.978436
"622190"	890.071718	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+2Na"	45.978436
"1125693"	312.016718	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2Na"	45.978436
"1401929"	208.346904	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H+2Na"	46.985712
"1436592"	625.067746	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H+HCOOH"	47.012746
"225198"	606.07724	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+3H2O+2H"	56.04448
"1520556"	639.11979	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+IsoProp+H"	61.06479
"418782"	609.031188	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+Na+K"	61.952376
"776494"	898.058688	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+Na+K"	61.952376
"1671732"	320.003688	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Na+K"	61.952376
"254974"	1220.125768	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+ACN+Na"	64.015768
"1229142"	642.070768	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+ACN+Na"	64.015768
"1719852"	642.094293	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+NH4+HCOOH"	64.039293
"1185206"	215.674218	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+3Na"	68.967654
"1659107"	647.049688	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Na+HCOOH"	68.994688
"164148"	1233.02904	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+2K-H"	76.91904
"601519"	1811.08404	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+2K-H"	76.91904
"1084607"	654.97404	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2K-H"	76.91904
"142848"	617.018158	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"2M+2K"	77.926316
"584952"	906.045658	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"3M+2K"	77.926316
"1071289"	327.990658	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2K"	77.926316
"1101590"	656.988592	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2K+H"	78.933592
"1335827"	657.076207	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+DMSO+H"	79.021207
"1006624"	661.115376	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2ACN+H"	83.060376
"1526456"	662.109008	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+IsoProp+Na+H"	84.054008
"999468"	331.061326	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+2ACN+2H"	84.067652
"1588504"	663.023628	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+K+HCOOH"	84.968628
"1427288"	693.055138	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+H+CF3COOH"	115.000138
"1158671"	351.574601	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+3ACN+2H"	125.094202
"1702753"	710.081685	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+NH4+CF3COOH"	132.026685
"1637310"	715.03708	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+Na+CF3COOH"	136.98208
"1575148"	731.01102	"C06017"	"dTDP-D-glucuronate"	"C16H24N2O17P2"	"578.055"	"M+K+CF3COOH"	152.95602
"808794"	589.1074	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M"	0
"982327"	570.08901	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-H2O-H"	-19.01839
"68383"	391.730990666667	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M-3H"	-3.021828
"507943"	588.100124	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M-3H"	-3.021828
"889027"	195.361857333333	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-3H"	-3.021828
"8694"	588.100124	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M-2H"	-2.014552
"447161"	882.653824	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M-2H"	-2.014552
"827155"	293.546424	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-2H"	-2.014552
"87147"	1177.207524	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M-H"	-1.007276
"527801"	1766.314924	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M-H"	-1.007276
"906697"	588.100124	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-H"	-1.007276
"53417"	1194.234071	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M-2H+NH4"	16.019271
"492978"	1783.341471	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M-2H+NH4"	16.019271
"868591"	605.126671	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-2H+NH4"	16.019271
"35763"	1199.189466	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M-2H+Na"	20.974666
"473502"	1788.296866	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M-2H+Na"	20.974666
"851671"	610.082066	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-2H+Na"	20.974666
"1623398"	610.082066	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Na-2H"	20.974666
"98833"	606.088463	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M-H+Cl"	33.962126
"539485"	900.642163	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M-H+Cl"	33.962126
"928988"	311.534763	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-H+Cl"	33.962126
"273741"	1213.184202	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+Cl"	34.969402
"665069"	1802.291602	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+Cl"	34.969402
"1274557"	624.076802	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Cl"	34.969402
"20034"	1215.163406	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M-2H+K"	36.948606
"467248"	1804.270806	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M-2H+K"	36.948606
"841770"	626.056006	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-2H+K"	36.948606
"1567445"	626.056006	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+K-2H"	36.948606
"955329"	634.105594	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-H+HCOOH"	44.998194
"364795"	1223.213001	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+HCOOH-H"	44.998201
"347583"	1237.228651	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+Hac-H"	59.013851
"1499698"	648.121251	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Hac-H"	59.013851
"967242"	656.087551	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-H+NaCOOH"	66.980151
"124533"	624.076802	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+2Cl"	69.938804
"564456"	918.630502	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+2Cl"	69.938804
"1034352"	329.523102	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2Cl"	69.938804
"1256244"	668.026285	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Br"	78.918885
"1319139"	670.082272	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Cl+HCOOH"	80.974872
"1334120"	692.064229	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Cl+NaCOOH"	102.956829
"925909"	702.092986	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M-H+CF3COOH"	112.985586
"1303347"	738.069664	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Cl+CF3COOH"	148.962264
"1380176"	554.094724	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H-2H2O"	-35.012676
"1397916"	572.1047	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H-H2O"	-17.0027
"298290"	1179.222076	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+H"	1.007276
"690143"	1768.329476	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+H"	1.007276
"1366125"	590.114676	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H"	1.007276
"141261"	590.114676	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+2H"	2.014552
"580640"	884.668376	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+2H"	2.014552
"1050298"	295.560976	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2H"	2.014552
"219170"	393.745542666667	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+3H"	3.021828
"657632"	590.114676	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+3H"	3.021828
"1176850"	197.376409333333	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+3H"	3.021828
"439156"	1196.248623	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+NH4"	18.033823
"797960"	1785.356023	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+NH4"	18.033823
"1695019"	607.141223	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+NH4"	18.033823
"337100"	598.6279495	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+H+NH4"	19.041099
"726968"	893.1816495	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+H+NH4"	19.041099
"1483341"	304.0742495	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H+NH4"	19.041099
"399835"	1201.204018	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+Na"	22.989218
"761922"	1790.311418	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+Na"	22.989218
"1608926"	612.096618	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Na"	22.989218
"325527"	601.105647	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+H+Na"	23.996494
"716851"	895.659347	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+H+Na"	23.996494
"1471768"	306.551947	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H+Na"	23.996494
"1061734"	204.703723333333	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2H+Na"	25.00377
"1265600"	622.140886	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+CH3OH+H"	33.033486
"387455"	1217.177958	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+K"	38.963158
"747357"	1806.285358	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+K"	38.963158
"1549409"	628.070558	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+K"	38.963158
"303309"	609.092617	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+H+K"	39.970434
"693911"	903.646317	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+H+K"	39.970434
"1449555"	314.538917	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H+K"	39.970434
"239254"	1220.248626	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+ACN+H"	42.033826
"1218529"	631.141226	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+ACN+H"	42.033826
"1204605"	316.074251	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+ACN+2H"	43.041102
"198569"	1223.18596	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+2Na-H"	44.97116
"640317"	1812.29336	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+2Na-H"	44.97116
"1145041"	634.07856	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2Na-H"	44.97116
"186143"	612.096618	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+2Na"	45.978436
"622300"	906.650318	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+2Na"	45.978436
"1120337"	317.542918	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2Na"	45.978436
"1401671"	212.031037333333	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H+2Na"	46.985712
"1433423"	636.120146	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H+HCOOH"	47.012746
"224580"	617.12964	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+3H2O+2H"	56.04448
"1521399"	650.17219	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+IsoProp+H"	61.06479
"418893"	620.083588	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+Na+K"	61.952376
"780619"	914.637288	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+Na+K"	61.952376
"1670750"	325.529888	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Na+K"	61.952376
"257274"	1242.230568	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+ACN+Na"	64.015768
"1231440"	653.123168	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+ACN+Na"	64.015768
"1719233"	653.146693	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+NH4+HCOOH"	64.039293
"1182400"	219.358351333333	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+3Na"	68.967654
"1656302"	658.102088	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Na+HCOOH"	68.994688
"162071"	1255.13384	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+2K-H"	76.91904
"602723"	1844.24124	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+2K-H"	76.91904
"1085045"	666.02644	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2K-H"	76.91904
"144051"	628.070558	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"2M+2K"	77.926316
"583970"	922.624258	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"3M+2K"	77.926316
"1071399"	333.516858	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2K"	77.926316
"1101336"	668.040992	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2K+H"	78.933592
"1335936"	668.128607	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+DMSO+H"	79.021207
"1006491"	672.167776	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2ACN+H"	83.060376
"1526563"	673.161408	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+IsoProp+Na+H"	84.054008
"1000671"	336.587526	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+2ACN+2H"	84.067652
"1590071"	674.076028	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+K+HCOOH"	84.968628
"1427398"	704.107538	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+H+CF3COOH"	115.000138
"1159874"	357.100801	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+3ACN+2H"	125.094202
"1702863"	721.134085	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+NH4+CF3COOH"	132.026685
"1637420"	726.08948	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+Na+CF3COOH"	136.98208
"1575258"	742.06342	"C06018"	"dTDP-4-acetamido-46-dideoxy-D-glucose;dTDP-4-acetamido-46-dideoxy-alpha-D-glucose;dTDP-N-acetylviosamine"	"C18H29N3O15P2"	"589.1074"	"M+K+CF3COOH"	152.95602
"808904"	260.0297	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M"	0
"982437"	241.01131	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"69586"	172.345857333333	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"513520"	259.022424	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"886947"	85.6692906666667	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"8804"	259.022424	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"449457"	389.037274	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"819974"	129.007574	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"80331"	519.052124	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"525724"	779.081824	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"906807"	259.022424	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"53891"	536.078671	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"490900"	796.108371	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"866148"	276.048971	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"34415"	541.034066	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"474341"	801.063766	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"851781"	281.004366	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1625694"	281.004366	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"100036"	277.010763	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"539595"	407.025613	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"930192"	146.995913	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"273850"	555.028802	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"667365"	815.058502	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1274060"	294.999102	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"19050"	557.008006	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"467358"	817.037706	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"841880"	296.978306	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1566461"	296.978306	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"955074"	305.027894	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"364905"	565.057601	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"348787"	579.073251	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1496527"	319.043551	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"962978"	327.009851	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"117353"	294.999102	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"558006"	425.013952	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1034461"	164.984252	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1255135"	338.948585	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1319046"	341.004572	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1335080"	362.986529	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"926748"	373.015286	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1304105"	408.991964	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1381010"	225.017024	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1398268"	243.027	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"297101"	521.066676	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"689522"	781.096376	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1365506"	261.036976	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"140217"	261.036976	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"580384"	391.051826	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1052227"	131.022126	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"219153"	174.360409333333	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"657861"	261.036976	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1175987"	87.6838426666667	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"438776"	538.093223	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"800742"	798.122923	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1694398"	278.063523	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"336481"	269.5502495	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"727443"	399.5650995	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1484545"	139.5353995	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"398852"	543.048618	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"759845"	803.078318	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1609036"	283.018918	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"326730"	272.027947	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"718054"	402.042797	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1470785"	142.013097	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1060751"	95.0111566666667	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1265710"	293.063186	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"387565"	559.022558	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"747467"	819.052258	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1548426"	298.992858	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"305605"	280.014917	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"694021"	410.029767	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1450759"	150.000067	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"240454"	562.093226	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1220825"	302.063526	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1204715"	151.535401	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"199408"	565.03056	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"639334"	825.06026	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1143934"	305.00086	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"185887"	283.018918	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"622411"	413.033768	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1120447"	153.004068	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1401418"	102.338470666667	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1433533"	307.042446	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"222503"	288.05194	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1520049"	321.09449	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"419003"	291.005888	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"775624"	421.020738	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1673046"	160.991038	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"257380"	584.075168	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1232277"	324.045468	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1718975"	324.068993	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1183236"	109.665784666667	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1654223"	329.024388	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"159992"	596.97844	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"598822"	857.00814	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1084263"	336.94874	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"142216"	298.992858	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"583715"	429.007708	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1071509"	168.978008	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1099949"	338.963292	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1336127"	339.050907	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1007086"	343.090076	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1526673"	344.083708	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"998595"	172.048676	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1589088"	344.998328	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1428480"	375.029838	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1158891"	192.561951	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1699693"	392.056385	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1634735"	397.01178	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1575368"	412.98572	"C06019"	"D-arabino-Hex-3-ulose 6-phosphate;D-arabino-3-Hexulose 6-phosphate;D-arabino-6-Phospho-hex-3-ulose"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"809016"	791.2643	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M"	0
"982549"	772.24591	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-H2O-H"	-19.01839
"68605"	526.502257333333	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M-3H"	-3.021828
"504884"	790.257024	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M-3H"	-3.021828
"883782"	262.747490666667	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-3H"	-3.021828
"10015"	790.257024	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M-2H"	-2.014552
"450670"	1185.889174	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M-2H"	-2.014552
"819721"	394.624874	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-2H"	-2.014552
"81535"	1581.521324	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M-H"	-1.007276
"521825"	2372.785624	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M-H"	-1.007276
"900357"	790.257024	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-H"	-1.007276
"50721"	1598.547871	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M-2H+NH4"	16.019271
"496483"	2389.812171	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M-2H+NH4"	16.019271
"871004"	807.283571	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-2H+NH4"	16.019271
"40004"	1603.503266	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M-2H+Na"	20.974666
"477377"	2394.767566	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M-2H+Na"	20.974666
"856271"	812.238966	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-2H+Na"	20.974666
"1624710"	812.238966	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Na-2H"	20.974666
"100145"	808.245363	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M-H+Cl"	33.962126
"538608"	1203.877513	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M-H+Cl"	33.962126
"929207"	412.613213	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-H+Cl"	33.962126
"270682"	1617.498002	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+Cl"	34.969402
"661280"	2408.762302	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+Cl"	34.969402
"1276234"	826.233702	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Cl"	34.969402
"16971"	1619.477206	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M-2H+K"	36.948606
"465280"	2410.741506	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M-2H+K"	36.948606
"844905"	828.212906	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-2H+K"	36.948606
"1557821"	828.212906	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+K-2H"	36.948606
"946796"	836.262494	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-H+HCOOH"	44.998194
"362339"	1627.526801	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+HCOOH-H"	44.998201
"346954"	1641.542451	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+Hac-H"	59.013851
"1493840"	850.278151	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Hac-H"	59.013851
"959315"	858.244451	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-H+NaCOOH"	66.980151
"114544"	826.233702	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+2Cl"	69.938804
"555926"	1221.865852	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+2Cl"	69.938804
"1028008"	430.601552	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2Cl"	69.938804
"1247589"	870.183185	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Br"	78.918885
"1316598"	872.239172	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Cl+HCOOH"	80.974872
"1325348"	894.221129	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Cl+NaCOOH"	102.956829
"922966"	904.249886	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M-H+CF3COOH"	112.985586
"1302228"	940.226564	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Cl+CF3COOH"	148.962264
"1382213"	756.251624	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H-2H2O"	-35.012676
"1397158"	774.2616	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H-H2O"	-17.0027
"295023"	1583.535876	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+H"	1.007276
"685261"	2374.800176	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+H"	1.007276
"1365981"	792.271576	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H"	1.007276
"136684"	792.271576	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+2H"	2.014552
"571868"	1187.903726	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+2H"	2.014552
"1042126"	396.639426	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2H"	2.014552
"214037"	528.516809333333	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+3H"	3.021828
"650680"	792.271576	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+3H"	3.021828
"1172087"	264.762042666667	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+3H"	3.021828
"433173"	1600.562423	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+NH4"	18.033823
"786877"	2391.826723	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+NH4"	18.033823
"1681386"	809.298123	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+NH4"	18.033823
"331119"	800.7848495	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+H+NH4"	19.041099
"724025"	1196.4169995	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+H+NH4"	19.041099
"1477725"	405.1526995	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H+NH4"	19.041099
"396771"	1605.517818	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+Na"	22.989218
"761050"	2396.782118	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+Na"	22.989218
"1608054"	814.253518	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Na"	22.989218
"322463"	803.262547	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+H+Na"	23.996494
"711606"	1198.894697	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+H+Na"	23.996494
"1466521"	407.630397	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H+Na"	23.996494
"1058674"	272.089356666667	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2H+Na"	25.00377
"1264726"	824.297786	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+CH3OH+H"	33.033486
"384395"	1621.491758	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+K"	38.963158
"745389"	2412.756058	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+K"	38.963158
"1540116"	830.227458	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+K"	38.963158
"299517"	811.249517	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+H+K"	39.970434
"697057"	1206.881667	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+H+K"	39.970434
"1456351"	415.617367	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H+K"	39.970434
"250667"	1624.562426	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+ACN+H"	42.033826
"1224954"	833.298126	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+ACN+H"	42.033826
"1207743"	417.152701	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+ACN+2H"	43.041102
"200613"	1627.49976	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+2Na-H"	44.97116
"637255"	2418.76406	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+2Na-H"	44.97116
"1141857"	836.23546	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2Na-H"	44.97116
"179682"	814.253518	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+2Na"	45.978436
"624710"	1209.885668	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+2Na"	45.978436
"1124935"	418.621368	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2Na"	45.978436
"1408459"	279.416670666667	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H+2Na"	46.985712
"1443133"	838.277046	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H+HCOOH"	47.012746
"233923"	819.28654	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+3H2O+2H"	56.04448
"1520523"	852.32909	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+IsoProp+H"	61.06479
"415833"	822.240488	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+Na+K"	61.952376
"777924"	1217.872638	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+Na+K"	61.952376
"1670971"	426.608338	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Na+K"	61.952376
"258583"	1646.544368	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+ACN+Na"	64.015768
"1231296"	855.280068	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+ACN+Na"	64.015768
"1716902"	855.303593	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+NH4+HCOOH"	64.039293
"1182256"	286.743984666667	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+3Na"	68.967654
"1654334"	860.258988	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Na+HCOOH"	68.994688
"159006"	1659.44764	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+2K-H"	76.91904
"599662"	2450.71194	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+2K-H"	76.91904
"1084895"	868.18334	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2K-H"	76.91904
"147554"	830.227458	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"2M+2K"	77.926316
"582739"	1225.859608	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"3M+2K"	77.926316
"1069430"	434.595308	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2K"	77.926316
"1110310"	870.197892	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2K+H"	78.933592
"1348883"	870.285507	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+DMSO+H"	79.021207
"1015228"	874.324676	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2ACN+H"	83.060376
"1535540"	875.318308	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+IsoProp+Na+H"	84.054008
"1003083"	437.665976	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+2ACN+2H"	84.067652
"1599771"	876.232928	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+K+HCOOH"	84.968628
"1427620"	906.264438	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+H+CF3COOH"	115.000138
"1160094"	458.179251	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+3ACN+2H"	125.094202
"1706364"	923.290985	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+NH4+CF3COOH"	132.026685
"1645297"	928.24638	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+Na+CF3COOH"	136.98208
"1582042"	944.22032	"C06022"	"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-D-glucosamine;UDP-3-O-(3R)-3-hydroxymyristoyl-alpha-D-glucosamine"	"C29H51N3O18P2"	"791.2643"	"M+K+CF3COOH"	152.95602
"809127"	1624.9123	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M"	0
"980474"	1605.89391	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-H2O-H"	-19.01839
"68716"	1082.26759066667	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M-3H"	-3.021828
"509371"	1623.905024	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M-3H"	-3.021828
"895442"	540.630157333333	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-3H"	-3.021828
"11220"	1623.905024	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M-2H"	-2.014552
"450780"	2436.361174	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M-2H"	-2.014552
"823114"	811.448874	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-2H"	-2.014552
"82012"	3248.817324	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M-H"	-1.007276
"520477"	4873.729624	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M-H"	-1.007276
"905939"	1623.905024	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-H"	-1.007276
"51564"	3265.843871	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M-2H+NH4"	16.019271
"499877"	4890.756171	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M-2H+NH4"	16.019271
"876587"	1640.931571	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-2H+NH4"	16.019271
"41207"	3270.799266	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M-2H+Na"	20.974666
"481861"	4895.711566	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M-2H+Na"	20.974666
"857474"	1645.886966	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-2H+Na"	20.974666
"1628099"	1645.886966	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Na-2H"	20.974666
"102439"	1641.893363	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M-H+Cl"	33.962126
"538721"	2454.349513	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M-H+Cl"	33.962126
"929684"	829.437213	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-H+Cl"	33.962126
"268847"	3284.794002	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+Cl"	34.969402
"662606"	4909.706302	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+Cl"	34.969402
"1279992"	1659.881702	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Cl"	34.969402
"21455"	3286.773206	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M-2H+K"	36.948606
"465387"	4911.685506	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M-2H+K"	36.948606
"837724"	1661.860906	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-2H+K"	36.948606
"1557082"	1661.860906	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+K-2H"	36.948606
"946906"	1669.910494	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-H+HCOOH"	44.998194
"364030"	3294.822801	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+HCOOH-H"	44.998201
"346576"	3308.838451	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+Hac-H"	59.013851
"1494072"	1683.926151	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Hac-H"	59.013851
"960399"	1691.892451	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-H+NaCOOH"	66.980151
"113926"	1659.881702	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+2Cl"	69.938804
"556037"	2472.337852	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+2Cl"	69.938804
"1030306"	847.425552	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2Cl"	69.938804
"1248790"	1703.831185	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Br"	78.918885
"1312332"	1705.887172	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Cl+HCOOH"	80.974872
"1325456"	1727.869129	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Cl+NaCOOH"	102.956829
"918699"	1737.897886	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M-H+CF3COOH"	112.985586
"1294316"	1773.874564	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Cl+CF3COOH"	148.962264
"1376852"	1589.899624	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H-2H2O"	-35.012676
"1397266"	1607.9096	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H-H2O"	-17.0027
"298418"	3250.831876	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+H"	1.007276
"691118"	4875.744176	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+H"	1.007276
"1363900"	1625.919576	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H"	1.007276
"129501"	1625.919576	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+2H"	2.014552
"571251"	2438.375726	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+2H"	2.014552
"1047338"	813.463426	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2H"	2.014552
"208678"	1084.28214266667	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+3H"	3.021828
"651883"	1625.919576	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+3H"	3.021828
"1167457"	542.644709333333	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+3H"	3.021828
"428544"	3267.858423	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+NH4"	18.033823
"789902"	4892.770723	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+NH4"	18.033823
"1684774"	1642.946123	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+NH4"	18.033823
"335241"	1634.4328495	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+H+NH4"	19.041099
"728756"	2446.8889995	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+H+NH4"	19.041099
"1488044"	821.9766995	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H+NH4"	19.041099
"401260"	3272.813818	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+Na"	22.989218
"764440"	4897.726118	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+Na"	22.989218
"1607069"	1647.901518	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Na"	22.989218
"317105"	1636.910547	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+H+Na"	23.996494
"716089"	2449.366697	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+H+Na"	23.996494
"1467722"	824.454397	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H+Na"	23.996494
"1059874"	549.972023333333	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2H+Na"	25.00377
"1268115"	1657.945786	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+CH3OH+H"	33.033486
"384505"	3288.787758	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+K"	38.963158
"743314"	4913.700058	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+K"	38.963158
"1542096"	1663.875458	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+K"	38.963158
"301093"	1644.897517	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+H+K"	39.970434
"696076"	2457.353667	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+H+K"	39.970434
"1455365"	832.441367	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H+K"	39.970434
"249435"	3291.858426	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+ACN+H"	42.033826
"1222150"	1666.946126	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+ACN+H"	42.033826
"1204936"	833.976701	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+ACN+2H"	43.041102
"197807"	3294.79576	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+2Na-H"	44.97116
"637366"	4919.70806	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+2Na-H"	44.97116
"1143430"	1669.88346	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2Na-H"	44.97116
"186354"	1647.901518	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+2Na"	45.978436
"619353"	2460.357668	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+2Na"	45.978436
"1122857"	835.445368	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2Na"	45.978436
"1406388"	557.299337333333	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H+2Na"	46.985712
"1435223"	1671.925046	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H+HCOOH"	47.012746
"224918"	1652.93454	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+3H2O+2H"	56.04448
"1511886"	1685.97709	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+IsoProp+H"	61.06479
"411206"	1655.888488	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+Na+K"	61.952376
"771837"	2468.344638	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+Na+K"	61.952376
"1669987"	843.432338	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Na+K"	61.952376
"253226"	3313.840368	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+ACN+Na"	64.015768
"1229215"	1688.928068	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+ACN+Na"	64.015768
"1715185"	1688.951593	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+NH4+HCOOH"	64.039293
"1182361"	564.626651333333	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+3Na"	68.967654
"1654445"	1693.906988	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Na+HCOOH"	68.994688
"163495"	3326.74364	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+2K-H"	76.91904
"604148"	4951.65594	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+2K-H"	76.91904
"1088665"	1701.83134	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2K-H"	76.91904
"146572"	1663.875458	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"2M+2K"	77.926316
"586133"	2476.331608	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"3M+2K"	77.926316
"1078306"	851.419308	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2K"	77.926316
"1112610"	1703.845892	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2K+H"	78.933592
"1343531"	1703.933507	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+DMSO+H"	79.021207
"1014247"	1707.972676	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2ACN+H"	83.060376
"1534557"	1708.966308	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+IsoProp+Na+H"	84.054008
"997726"	854.489976	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+2ACN+2H"	84.067652
"1598789"	1709.880928	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+K+HCOOH"	84.968628
"1424449"	1739.912438	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+H+CF3COOH"	115.000138
"1155830"	875.003251	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+3ACN+2H"	125.094202
"1711944"	1756.938985	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+NH4+CF3COOH"	132.026685
"1641034"	1761.89438	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+Na+CF3COOH"	136.98208
"1578873"	1777.86832	"C06024"	"3-Deoxy-D-manno-octulosonyl-lipid IV(A);KDO-lipid IV(A);3-Deoxy-D-manno-octulosonyl-2323-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-16-beta-D-glucosamine 14-bisphosphate"	"C76H142N2O30P2"	"1624.9123"	"M+K+CF3COOH"	152.95602
"801425"	1844.9706	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M"	0
"978394"	1825.95221	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-H2O-H"	-19.01839
"66639"	1228.973124	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M-3H"	-3.021828
"504011"	1843.963324	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M-3H"	-3.021828
"891661"	613.982924	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-3H"	-3.021828
"4770"	1843.963324	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M-2H"	-2.014552
"448703"	2766.448624	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M-2H"	-2.014552
"820672"	921.478024	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-2H"	-2.014552
"80663"	3688.933924	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M-H"	-1.007276
"519493"	5533.904524	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M-H"	-1.007276
"906049"	1843.963324	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-H"	-1.007276
"52767"	3705.960471	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M-2H+NH4"	16.019271
"499987"	5550.931071	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M-2H+NH4"	16.019271
"876697"	1860.989871	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-2H+NH4"	16.019271
"40224"	3710.915866	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M-2H+Na"	20.974666
"479785"	5555.886466	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M-2H+Na"	20.974666
"855399"	1865.945266	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-2H+Na"	20.974666
"1624930"	1865.945266	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Na-2H"	20.974666
"101455"	1861.951663	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M-H+Cl"	33.962126
"537738"	2784.436963	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M-H+Cl"	33.962126
"927727"	939.466363	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-H+Cl"	33.962126
"268717"	3724.910602	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+Cl"	34.969402
"661865"	5569.881202	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+Cl"	34.969402
"1279004"	1879.940002	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Cl"	34.969402
"19378"	3726.889806	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M-2H+K"	36.948606
"461123"	5571.860406	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M-2H+K"	36.948606
"835649"	1881.919206	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-2H+K"	36.948606
"1556950"	1881.919206	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+K-2H"	36.948606
"947016"	1889.968794	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-H+HCOOH"	44.998194
"362317"	3734.939401	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+HCOOH-H"	44.998201
"346322"	3748.955051	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+Hac-H"	59.013851
"1493696"	1903.984451	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Hac-H"	59.013851
"962576"	1911.950751	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-H+NaCOOH"	66.980151
"111849"	1879.940002	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+2Cl"	69.938804
"555055"	2802.425302	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+2Cl"	69.938804
"1027136"	957.454702	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2Cl"	69.938804
"1243431"	1923.889485	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Br"	78.918885
"1311349"	1925.945472	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Cl+HCOOH"	80.974872
"1322285"	1947.927429	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Cl+NaCOOH"	102.956829
"915529"	1957.956186	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M-H+CF3COOH"	112.985586
"1294426"	1993.932864	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Cl+CF3COOH"	148.962264
"1376962"	1809.957924	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H-2H2O"	-35.012676
"1392272"	1827.9679	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H-H2O"	-17.0027
"298364"	3690.948476	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+H"	1.007276
"688028"	5535.919076	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+H"	1.007276
"1361824"	1845.977876	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H"	1.007276
"126694"	1845.977876	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+2H"	2.014552
"567715"	2768.463176	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+2H"	2.014552
"1047448"	923.492576	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2H"	2.014552
"208788"	1230.987676	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+3H"	3.021828
"652722"	1845.977876	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+3H"	3.021828
"1166838"	615.997476	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+3H"	3.021828
"429019"	3707.975023	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+NH4"	18.033823
"790014"	5552.945623	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+NH4"	18.033823
"1683427"	1863.004423	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+NH4"	18.033823
"336445"	1854.4911495	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+H+NH4"	19.041099
"726678"	2776.9764495	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+H+NH4"	19.041099
"1487063"	932.0058495	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H+NH4"	19.041099
"402464"	3712.930418	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+Na"	22.989218
"763458"	5557.901018	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+Na"	22.989218
"1612649"	1867.959818	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Na"	22.989218
"315393"	1856.968847	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+H+Na"	23.996494
"715107"	2779.454147	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+H+Na"	23.996494
"1470019"	934.483547	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H+Na"	23.996494
"1058890"	623.32479	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2H+Na"	25.00377
"1267132"	1878.004086	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+CH3OH+H"	33.033486
"387892"	3728.904358	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+K"	38.963158
"742329"	5573.874958	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+K"	38.963158
"1541236"	1883.933758	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+K"	38.963158
"300111"	1864.955817	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+H+K"	39.970434
"692899"	2787.441117	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+H+K"	39.970434
"1453288"	942.470517	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H+K"	39.970434
"247357"	3731.975026	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+ACN+H"	42.033826
"1221166"	1887.004426	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+ACN+H"	42.033826
"1200672"	944.005851	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+ACN+2H"	43.041102
"197916"	3734.91236	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+2Na-H"	44.97116
"636383"	5579.88296	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+2Na-H"	44.97116
"1142083"	1889.94176	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2Na-H"	44.97116
"177716"	1867.959818	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+2Na"	45.978436
"621650"	2790.445118	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+2Na"	45.978436
"1122967"	945.474518	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2Na"	45.978436
"1403211"	630.652104	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H+2Na"	46.985712
"1435333"	1891.983346	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H+HCOOH"	47.012746
"222476"	1872.99284	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+3H2O+2H"	56.04448
"1511631"	1906.03539	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+IsoProp+H"	61.06479
"410220"	1875.946788	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+Na+K"	61.952376
"772676"	2798.432088	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+Na+K"	61.952376
"1670097"	953.461488	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Na+K"	61.952376
"253335"	3753.956968	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+ACN+Na"	64.015768
"1232605"	1908.986368	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+ACN+Na"	64.015768
"1714931"	1909.009893	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+NH4+HCOOH"	64.039293
"1180163"	637.979418	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+3Na"	68.967654
"1650544"	1913.965288	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Na+HCOOH"	68.994688
"160689"	3766.86024	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+2K-H"	76.91904
"603164"	5611.83084	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+2K-H"	76.91904
"1090961"	1921.88964	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2K-H"	76.91904
"147775"	1883.933758	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"2M+2K"	77.926316
"587336"	2806.419058	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"3M+2K"	77.926316
"1075129"	961.448458	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2K"	77.926316
"1111626"	1923.904192	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2K+H"	78.933592
"1345827"	1923.991807	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+DMSO+H"	79.021207
"1015450"	1928.030976	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2ACN+H"	83.060376
"1534667"	1929.024608	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+IsoProp+Na+H"	84.054008
"998928"	964.519126	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+2ACN+2H"	84.067652
"1595619"	1929.939228	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+K+HCOOH"	84.968628
"1421279"	1959.970738	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+H+CF3COOH"	115.000138
"1155940"	985.032401	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+3ACN+2H"	125.094202
"1712379"	1976.997285	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+NH4+CF3COOH"	132.026685
"1641144"	1981.95268	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+Na+CF3COOH"	136.98208
"1578983"	1997.92662	"C06025"	"Di3-deoxy-D-manno-octulosonyl-lipid IV(A);KDO2-lipid IV(A)"	"C84H154N2O37P2"	"1844.9706"	"M+K+CF3COOH"	152.95602
"802786"	2237.336	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M"	0
"978504"	2218.31761	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-H2O-H"	-19.01839
"67842"	1490.55005733333	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M-3H"	-3.021828
"505214"	2236.328724	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M-3H"	-3.021828
"891771"	744.771390666667	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-3H"	-3.021828
"4880"	2236.328724	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M-2H"	-2.014552
"448813"	3354.996724	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M-2H"	-2.014552
"820054"	1117.660724	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-2H"	-2.014552
"80043"	4473.664724	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M-H"	-1.007276
"520333"	6711.000724	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M-H"	-1.007276
"906159"	2236.328724	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-H"	-1.007276
"52877"	4490.691271	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M-2H+NH4"	16.019271
"497908"	6728.027271	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M-2H+NH4"	16.019271
"876807"	2253.355271	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-2H+NH4"	16.019271
"43614"	4495.646666	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M-2H+Na"	20.974666
"482081"	6732.982666	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M-2H+Na"	20.974666
"858789"	2258.310666	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-2H+Na"	20.974666
"1625040"	2258.310666	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Na-2H"	20.974666
"98286"	2254.317063	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M-H+Cl"	33.962126
"535662"	3372.985063	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M-H+Cl"	33.962126
"927304"	1135.649063	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-H+Cl"	33.962126
"267612"	4509.641402	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+Cl"	34.969402
"660756"	6746.977402	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+Cl"	34.969402
"1273527"	2272.305402	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Cl"	34.969402
"18395"	4511.620606	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M-2H+K"	36.948606
"461233"	6748.956606	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M-2H+K"	36.948606
"833694"	2274.284606	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-2H+K"	36.948606
"1557059"	2274.284606	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+K-2H"	36.948606
"946034"	2282.334194	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-H+HCOOH"	44.998194
"363518"	4519.670201	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+HCOOH-H"	44.998201
"348131"	4533.685851	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+Hac-H"	59.013851
"1493440"	2296.349851	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Hac-H"	59.013851
"960135"	2304.316151	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-H+NaCOOH"	66.980151
"112321"	2272.305402	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+2Cl"	69.938804
"550785"	3390.973402	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+2Cl"	69.938804
"1025056"	1153.637402	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2Cl"	69.938804
"1247917"	2316.254885	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Br"	78.918885
"1308178"	2318.310872	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Cl+HCOOH"	80.974872
"1320125"	2340.292829	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Cl+NaCOOH"	102.956829
"913086"	2350.321586	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M-H+CF3COOH"	112.985586
"1291256"	2386.298264	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Cl+CF3COOH"	148.962264
"1373792"	2202.323324	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H-2H2O"	-35.012676
"1386915"	2220.3333	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H-H2O"	-17.0027
"292070"	4475.679276	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+H"	1.007276
"684492"	6713.015276	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+H"	1.007276
"1359747"	2238.343276	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H"	1.007276
"128993"	2238.343276	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+2H"	2.014552
"567095"	3357.011276	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+2H"	2.014552
"1047558"	1119.675276	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2H"	2.014552
"212180"	1492.56460933333	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+3H"	3.021828
"650646"	2238.343276	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+3H"	3.021828
"1168772"	746.785942666667	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+3H"	3.021828
"427306"	4492.705823	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+NH4"	18.033823
"788666"	6730.041823	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+NH4"	18.033823
"1684265"	2255.369823	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+NH4"	18.033823
"334370"	2246.8565495	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+H+NH4"	19.041099
"726790"	3365.5245495	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+H+NH4"	19.041099
"1486079"	1128.1885495	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H+NH4"	19.041099
"401479"	4497.661218	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+Na"	22.989218
"762474"	6734.997218	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+Na"	22.989218
"1610571"	2260.325218	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Na"	22.989218
"316233"	2249.334247	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+H+Na"	23.996494
"713030"	3368.002247	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+H+Na"	23.996494
"1467942"	1130.666247	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H+Na"	23.996494
"1056813"	754.113256666667	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2H+Na"	25.00377
"1262868"	2270.369486	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+CH3OH+H"	33.033486
"386909"	4513.635158	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+K"	38.963158
"743533"	6750.971158	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+K"	38.963158
"1545590"	2276.299158	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+K"	38.963158
"300221"	2257.321217	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+H+K"	39.970434
"694468"	3375.989217	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+H+K"	39.970434
"1447193"	1138.653217	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H+K"	39.970434
"248561"	4516.705826	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+ACN+H"	42.033826
"1224553"	2279.369826	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+ACN+H"	42.033826
"1199689"	1140.188551	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+ACN+2H"	43.041102
"195837"	4519.64316	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+2Na-H"	44.97116
"638677"	6756.97916	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+2Na-H"	44.97116
"1142194"	2282.30716	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2Na-H"	44.97116
"176733"	2260.325218	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+2Na"	45.978436
"620666"	3378.993218	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+2Na"	45.978436
"1123442"	1141.657218	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2Na"	45.978436
"1403319"	761.440570666667	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H+2Na"	46.985712
"1430946"	2284.348746	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H+HCOOH"	47.012746
"225138"	2265.35824	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+3H2O+2H"	56.04448
"1511013"	2298.40079	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+IsoProp+H"	61.06479
"410698"	2268.312188	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+Na+K"	61.952376
"771692"	3386.980188	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+Na+K"	61.952376
"1670207"	1149.644188	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Na+K"	61.952376
"253445"	4538.687768	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+ACN+Na"	64.015768
"1229434"	2301.351768	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+ACN+Na"	64.015768
"1715041"	2301.375293	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+NH4+HCOOH"	64.039293
"1181488"	768.767884666667	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+3Na"	68.967654
"1650529"	2306.330688	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Na+HCOOH"	68.994688
"163714"	4551.59104	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+2K-H"	76.91904
"601087"	6788.92704	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+2K-H"	76.91904
"1089977"	2314.25504	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2K-H"	76.91904
"147885"	2276.299158	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"2M+2K"	77.926316
"587445"	3394.967158	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"3M+2K"	77.926316
"1074146"	1157.631158	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2K"	77.926316
"1108456"	2316.269592	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2K+H"	78.933592
"1348122"	2316.357207	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+DMSO+H"	79.021207
"1015559"	2320.396376	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2ACN+H"	83.060376
"1533684"	2321.390008	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+IsoProp+Na+H"	84.054008
"1000132"	1160.701826	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+2ACN+2H"	84.067652
"1599009"	2322.304628	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+K+HCOOH"	84.968628
"1421389"	2352.336138	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+H+CF3COOH"	115.000138
"1156050"	1181.215101	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+3ACN+2H"	125.094202
"1709977"	2369.362685	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+NH4+CF3COOH"	132.026685
"1641254"	2374.31808	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+Na+CF3COOH"	136.98208
"1579093"	2390.29202	"C06026"	"Di3-deoxy-D-manno-octulosonyl-lipid A;KDO2-lipid A;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A;Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)"	"C110H202N2O39P2"	"2237.336"	"M+K+CF3COOH"	152.95602
"801672"	897.1418	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M"	0
"977521"	878.12341	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H2O-H"	-19.01839
"67952"	597.087257333333	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-3H"	-3.021828
"505325"	896.134524	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-3H"	-3.021828
"891881"	298.039990666667	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-3H"	-3.021828
"3897"	896.134524	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H"	-2.014552
"447830"	1344.705424	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H"	-2.014552
"820528"	447.563624	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H"	-2.014552
"79789"	1793.276324	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H"	-1.007276
"519105"	2690.418124	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H"	-1.007276
"906269"	896.134524	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H"	-1.007276
"51528"	1810.302871	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+NH4"	16.019271
"498018"	2707.444671	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+NH4"	16.019271
"876796"	913.161071	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+NH4"	16.019271
"40443"	1815.258266	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+Na"	20.974666
"477816"	2712.400066	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+Na"	20.974666
"856712"	918.116466	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+Na"	20.974666
"1620776"	918.116466	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na-2H"	20.974666
"95114"	914.122863	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H+Cl"	33.962126
"536865"	1362.693763	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H+Cl"	33.962126
"927118"	465.551963	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+Cl"	33.962126
"268329"	1829.253002	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Cl"	34.969402
"660543"	2726.394802	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Cl"	34.969402
"1273799"	932.111202	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl"	34.969402
"19598"	1831.232206	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+K"	36.948606
"461343"	2728.374006	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+K"	36.948606
"835869"	934.090406	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+K"	36.948606
"1558261"	934.090406	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K-2H"	36.948606
"945051"	942.139994	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+HCOOH"	44.998194
"363263"	1839.281801	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+HCOOH-H"	44.998201
"348241"	1853.297451	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Hac-H"	59.013851
"1493063"	956.155651	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Hac-H"	59.013851
"958697"	964.121951	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+NaCOOH"	66.980151
"110606"	932.111202	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Cl"	69.938804
"550097"	1380.682102	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Cl"	69.938804
"1024071"	483.540302	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Cl"	69.938804
"1245840"	976.060685	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Br"	78.918885
"1310474"	978.116672	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+HCOOH"	80.974872
"1323594"	1000.098629	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+NaCOOH"	102.956829
"916845"	1010.127386	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+CF3COOH"	112.985586
"1291366"	1046.104064	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+CF3COOH"	148.962264
"1367705"	862.129124	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-2H2O"	-35.012676
"1385932"	880.1391	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-H2O"	-17.0027
"291086"	1795.290876	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H"	1.007276
"678042"	2692.432676	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H"	1.007276
"1354389"	898.149076	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H"	1.007276
"127281"	898.149076	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2H"	2.014552
"566596"	1346.719976	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2H"	2.014552
"1045481"	449.578176	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H"	2.014552
"213383"	599.101809333333	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H"	3.021828
"652944"	898.149076	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+3H"	3.021828
"1169976"	300.054542666667	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3H"	3.021828
"425955"	1812.317423	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+NH4"	18.033823
"787315"	2709.459223	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+NH4"	18.033823
"1682673"	915.175623	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4"	18.033823
"332653"	906.6623495	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+NH4"	19.041099
"725439"	1355.2332495	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+NH4"	19.041099
"1480721"	458.0914495	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+NH4"	19.041099
"398306"	1817.272818	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na"	22.989218
"760393"	2714.414618	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na"	22.989218
"1606307"	920.131018	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na"	22.989218
"315978"	909.140047	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+Na"	23.996494
"716417"	1357.710947	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+Na"	23.996494
"1468051"	460.569147	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+Na"	23.996494
"1056920"	307.381856666667	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H+Na"	25.00377
"1259695"	930.175286	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+CH3OH+H"	33.033486
"381551"	1833.246758	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+K"	38.963158
"742549"	2730.388558	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+K"	38.963158
"1547882"	936.104958	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K"	38.963158
"303971"	917.127017	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+K"	39.970434
"695306"	1365.697917	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+K"	39.970434
"1449855"	468.556117	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+K"	39.970434
"247578"	1836.317426	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+H"	42.033826
"1223571"	939.175626	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+H"	42.033826
"1207454"	470.091451	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+2H"	43.041102
"195949"	1839.25476	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na-H"	44.97116
"640609"	2736.39656	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na-H"	44.97116
"1143394"	942.11296	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na-H"	44.97116
"180123"	920.131018	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na"	45.978436
"618589"	1368.701918	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na"	45.978436
"1122822"	471.560118	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na"	45.978436
"1404522"	314.709170666667	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+2Na"	46.985712
"1439922"	944.154546	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+HCOOH"	47.012746
"225248"	925.16404	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H2O+2H"	56.04448
"1510394"	958.20659	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+H"	61.06479
"411534"	928.117988	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na+K"	61.952376
"773987"	1376.688888	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na+K"	61.952376
"1670317"	479.547088	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+K"	61.952376
"253187"	1858.299368	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+Na"	64.015768
"1229178"	961.157568	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+Na"	64.015768
"1715515"	961.181093	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+HCOOH"	64.039293
"1181596"	322.036484666667	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3Na"	68.967654
"1651493"	966.136488	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+HCOOH"	68.994688
"157866"	1871.20264	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K-H"	76.91904
"598518"	2768.34444	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K-H"	76.91904
"1085097"	974.06084	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K-H"	76.91904
"146173"	936.104958	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K"	77.926316
"586462"	1384.675858	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K"	77.926316
"1074256"	487.534058	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K"	77.926316
"1108566"	976.075392	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K+H"	78.933592
"1347140"	976.163007	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+DMSO+H"	79.021207
"1015669"	980.202176	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+H"	83.060376
"1534887"	981.195808	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+Na+H"	84.054008
"1000242"	490.604726	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+2H"	84.067652
"1596932"	982.110428	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+HCOOH"	84.968628
"1421499"	1012.141938	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+CF3COOH"	115.000138
"1156160"	511.118001	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3ACN+2H"	125.094202
"1710087"	1029.168485	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+CF3COOH"	132.026685
"1641364"	1034.12388	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+CF3COOH"	136.98208
"1579203"	1050.09782	"C06027"	"L-erythro-3-Methylmalyl-CoA;beta-Methylmalyl-CoA;(2R3S)-2-Methylmalyl-CoA;L-erythro-beta-Methylmalyl-CoA;(2R3S)-2-Methyl-3-carboxy-3-hydroxypropanoyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+CF3COOH"	152.95602
"804463"	879.1313	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M"	0
"979817"	860.11291	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H2O-H"	-19.01839
"75717"	585.080257333333	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-3H"	-3.021828
"510904"	878.124024	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-3H"	-3.021828
"890898"	292.036490666667	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-3H"	-3.021828
"2913"	878.124024	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H"	-2.014552
"447940"	1317.689674	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H"	-2.014552
"822461"	438.558374	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H"	-2.014552
"80994"	1757.255324	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H"	-1.007276
"522009"	2636.386624	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H"	-1.007276
"904192"	878.124024	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H"	-1.007276
"52004"	1774.281871	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+NH4"	16.019271
"502140"	2653.413171	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+NH4"	16.019271
"876785"	895.150571	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+NH4"	16.019271
"40553"	1779.237266	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+Na"	20.974666
"480111"	2658.368566	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+Na"	20.974666
"860101"	900.105966	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+Na"	20.974666
"1621980"	900.105966	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na-2H"	20.974666
"97045"	896.112363	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H+Cl"	33.962126
"536975"	1335.678013	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H+Cl"	33.962126
"929395"	456.546713	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+Cl"	33.962126
"270142"	1793.232002	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Cl"	34.969402
"663656"	2672.363302	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Cl"	34.969402
"1278246"	914.100702	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl"	34.969402
"19708"	1795.211206	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+K"	36.948606
"460360"	2674.342506	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+K"	36.948606
"834883"	916.079906	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+K"	36.948606
"1559466"	916.079906	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K-2H"	36.948606
"944069"	924.129494	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+HCOOH"	44.998194
"362279"	1803.260801	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+HCOOH-H"	44.998201
"346528"	1817.276451	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Hac-H"	59.013851
"1493416"	938.145151	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Hac-H"	59.013851
"958929"	946.111451	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+NaCOOH"	66.980151
"111808"	914.100702	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Cl"	69.938804
"552101"	1353.666352	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Cl"	69.938804
"1025276"	474.535052	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Cl"	69.938804
"1244854"	958.050185	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Br"	78.918885
"1310584"	960.106172	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+HCOOH"	80.974872
"1325891"	982.088129	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+NaCOOH"	102.956829
"912215"	992.116886	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+CF3COOH"	112.985586
"1291477"	1028.093564	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+CF3COOH"	148.962264
"1369637"	844.118624	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-2H2O"	-35.012676
"1383976"	862.1286	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-H2O"	-17.0027
"287916"	1759.269876	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H"	1.007276
"678515"	2638.401176	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H"	1.007276
"1352677"	880.138576	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H"	1.007276
"126295"	880.138576	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2H"	2.014552
"567679"	1319.704226	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2H"	2.014552
"1045591"	440.572926	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H"	2.014552
"214586"	587.094809333333	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H"	3.021828
"654876"	880.138576	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+3H"	3.021828
"1172272"	294.051042666667	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3H"	3.021828
"426794"	1776.296423	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+NH4"	18.033823
"789247"	2655.427723	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+NH4"	18.033823
"1682297"	897.165123	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4"	18.033823
"331303"	888.6518495	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+NH4"	19.041099
"724819"	1328.2174995	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+NH4"	19.041099
"1480099"	449.0861995	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+NH4"	19.041099
"395131"	1781.251818	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na"	22.989218
"759408"	2660.383118	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na"	22.989218
"1606414"	902.120518	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na"	22.989218
"318638"	891.129547	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+Na"	23.996494
"715433"	1330.695197	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+Na"	23.996494
"1464881"	451.563897	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+Na"	23.996494
"1057394"	301.378356666667	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H+Na"	25.00377
"1260169"	912.164786	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+CH3OH+H"	33.033486
"380568"	1797.225758	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+K"	38.963158
"741566"	2676.357058	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+K"	38.963158
"1547992"	918.094458	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K"	38.963158
"308455"	899.116517	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+K"	39.970434
"697604"	1338.682167	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+K"	39.970434
"1453611"	459.550867	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+K"	39.970434
"245501"	1800.296426	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+H"	42.033826
"1220399"	921.165126	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+H"	42.033826
"1202096"	461.086201	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+2H"	43.041102
"194967"	1803.23376	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na-H"	44.97116
"634887"	2682.36506	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na-H"	44.97116
"1132682"	924.10246	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na-H"	44.97116
"176946"	902.120518	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na"	45.978436
"619791"	1341.686168	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na"	45.978436
"1120017"	462.554868	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na"	45.978436
"1402446"	308.705670666667	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+2Na"	46.985712
"1438939"	926.144046	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+HCOOH"	47.012746
"221468"	907.15354	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H2O+2H"	56.04448
"1508919"	940.19609	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+H"	61.06479
"409578"	910.107488	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na+K"	61.952376
"772638"	1349.673138	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na+K"	61.952376
"1670428"	470.541838	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+K"	61.952376
"253299"	1822.278368	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+Na"	64.015768
"1228925"	943.147068	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+Na"	64.015768
"1715622"	943.170593	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+HCOOH"	64.039293
"1180251"	316.032984666667	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3Na"	68.967654
"1652332"	948.125988	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+HCOOH"	68.994688
"159557"	1835.18164	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K-H"	76.91904
"598754"	2714.31294	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K-H"	76.91904
"1085819"	956.05034	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K-H"	76.91904
"146283"	918.094458	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K"	77.926316
"586572"	1357.660108	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K"	77.926316
"1073273"	478.528808	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K"	77.926316
"1108676"	958.064892	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K+H"	78.933592
"1347250"	958.152507	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+DMSO+H"	79.021207
"1018818"	962.191676	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+H"	83.060376
"1536091"	963.185308	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+Na+H"	84.054008
"999258"	481.599476	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+2H"	84.067652
"1599228"	964.099928	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+HCOOH"	84.968628
"1422702"	994.131438	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+CF3COOH"	115.000138
"1156270"	502.112751	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3ACN+2H"	125.094202
"1712020"	1011.157985	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+CF3COOH"	132.026685
"1641474"	1016.11338	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+CF3COOH"	136.98208
"1579313"	1032.08732	"C06028"	"2-Methylfumaryl-CoA;Mesaconyl-CoA;Mesaconyl-C1-CoA;(E)-3-Carboxy-2-methylprop-2-enoyl-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+CF3COOH"	152.95602
"801778"	148.0372	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M"	0
"977741"	129.01881	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"75827"	97.6841906666667	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"513202"	147.029924	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"892101"	48.3384573333333	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"8490"	147.029924	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"449143"	221.048524	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"823664"	73.011324	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"80376"	295.067124	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"520662"	443.104324	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"907582"	147.029924	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"52114"	312.093671	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"501276"	460.130871	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"877988"	164.056471	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"45038"	317.049066	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"480222"	465.086266	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"861304"	169.011866	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1628649"	169.011866	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"99709"	165.018263	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"539270"	239.036863	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"929869"	90.999663	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"270252"	331.043802	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"662672"	479.081002	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1279448"	183.006602	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"18724"	333.023006	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"460470"	481.060206	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"834993"	184.985806	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1559575"	184.985806	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"945636"	193.035394	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"361697"	341.072601	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"345910"	355.088251	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1492877"	207.051051	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"959006"	215.017351	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"110828"	183.006602	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"550144"	257.025202	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1023563"	108.988002	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1247152"	226.956085	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1311787"	229.012072	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1323818"	250.994029	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"911961"	261.022786	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1289398"	296.999464	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1367359"	113.024524	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1385054"	131.0345	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"282863"	297.081676	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"677532"	445.118876	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1353147"	149.044476	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"127129"	149.044476	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"565856"	223.063076	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1042785"	75.025876	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"211417"	99.6987426666667	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"652070"	149.044476	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1167279"	50.3530093333333	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"426903"	314.108223	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"788628"	462.145423	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1682771"	166.071023	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"330805"	157.5577495	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"723347"	231.5763495	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1480208"	83.5391495	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"394511"	319.063618	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"757332"	467.100818	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1605064"	171.026418	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"316561"	160.035447	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"713357"	234.054047	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1463169"	86.016847	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1053862"	57.6803233333333	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1261009"	181.070686	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"381772"	335.037558	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"740583"	483.074758	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1547009"	187.000358	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"302003"	168.022417	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"694065"	242.041017	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1451532"	94.003817	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"248890"	338.108226	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1217223"	190.071026	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1206576"	95.539151	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"199447"	341.04556	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"632810"	489.08276	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1134855"	193.00836	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"177056"	171.026418	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"619901"	245.045018	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1120127"	97.007818	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1401463"	65.0076373333333	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1440142"	195.049946	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"223281"	176.05944	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1512437"	209.10199	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"408999"	179.013388	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"772020"	253.031988	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1668351"	104.994788	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"255233"	360.090168	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1227942"	212.052968	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1716099"	212.076493	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1181455"	72.3349513333333	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1652197"	217.031888	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"157842"	372.99344	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"597646"	521.03064	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1085929"	224.95624	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"144571"	187.000358	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"584860"	261.018958	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1073383"	112.981758	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1107693"	226.970792	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1349546"	227.058407	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1018076"	231.097576	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1536201"	232.091208	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"1001555"	116.052426	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1600431"	233.005828	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1423906"	263.037338	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1155287"	136.565701	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1712252"	280.063885	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1641584"	285.01928	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1579423"	300.99322	"C06029"	"L-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"802131"	146.0215	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M"	0
"977851"	127.00311	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-H2O-H"	-19.01839
"72657"	96.3403906666667	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M-3H"	-3.021828
"515499"	145.014224	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M-3H"	-3.021828
"887833"	47.6665573333333	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-3H"	-3.021828
"8600"	145.014224	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M-2H"	-2.014552
"445973"	218.024974	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M-2H"	-2.014552
"823774"	72.003474	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-2H"	-2.014552
"80850"	291.035724	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M-H"	-1.007276
"519191"	437.057224	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M-H"	-1.007276
"907692"	145.014224	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-H"	-1.007276
"50766"	308.062271	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M-2H+NH4"	16.019271
"501507"	454.083771	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M-2H+NH4"	16.019271
"876153"	162.040771	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-2H+NH4"	16.019271
"42960"	313.017666	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M-2H+Na"	20.974666
"480332"	459.039166	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M-2H+Na"	20.974666
"861414"	166.996166	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-2H+Na"	20.974666
"1628759"	166.996166	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Na-2H"	20.974666
"98725"	163.002563	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M-H+Cl"	33.962126
"538286"	236.013313	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M-H+Cl"	33.962126
"932895"	89.991813	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-H+Cl"	33.962126
"270357"	327.012402	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+Cl"	34.969402
"661565"	473.033902	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+Cl"	34.969402
"1277372"	180.990902	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Cl"	34.969402
"23208"	328.991606	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M-2H+K"	36.948606
"460581"	475.013106	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M-2H+K"	36.948606
"833312"	182.970106	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-2H+K"	36.948606
"1555870"	182.970106	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+K-2H"	36.948606
"943031"	191.019694	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-H+HCOOH"	44.998194
"361846"	337.041201	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+HCOOH-H"	44.998201
"347477"	351.056851	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+Hac-H"	59.013851
"1492943"	205.035351	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Hac-H"	59.013851
"959115"	213.001651	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-H+NaCOOH"	66.980151
"110451"	180.990902	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+2Cl"	69.938804
"550619"	254.001652	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+2Cl"	69.938804
"1022011"	107.980152	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2Cl"	69.938804
"1245077"	224.940385	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Br"	78.918885
"1307525"	226.996372	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Cl+HCOOH"	80.974872
"1326111"	248.978329	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Cl+NaCOOH"	102.956829
"913895"	259.007086	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M-H+CF3COOH"	112.985586
"1289873"	294.983764	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Cl+CF3COOH"	148.962264
"1367672"	111.008824	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H-2H2O"	-35.012676
"1384440"	129.0188	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H-H2O"	-17.0027
"283761"	293.050276	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+H"	1.007276
"677642"	439.071776	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+H"	1.007276
"1352531"	147.028776	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H"	1.007276
"125945"	147.028776	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+2H"	2.014552
"566559"	220.039526	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+2H"	2.014552
"1042531"	74.018026	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2H"	2.014552
"207153"	98.3549426666667	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+3H"	3.021828
"649994"	147.028776	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+3H"	3.021828
"1167026"	49.6811093333333	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+3H"	3.021828
"425556"	310.076823	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+NH4"	18.033823
"786552"	456.098323	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+NH4"	18.033823
"1683975"	164.055323	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+NH4"	18.033823
"331160"	155.5420495	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+H+NH4"	19.041099
"724676"	228.5527995	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+H+NH4"	19.041099
"1481409"	82.5312995	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H+NH4"	19.041099
"396079"	315.032218	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+Na"	22.989218
"757440"	461.053718	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+Na"	22.989218
"1604448"	169.010718	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Na"	22.989218
"316672"	158.019747	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+H+Na"	23.996494
"713467"	231.030497	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+H+Na"	23.996494
"1462914"	85.008997	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H+Na"	23.996494
"1057252"	57.0084233333333	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2H+Na"	25.00377
"1261120"	179.054986	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+CH3OH+H"	33.033486
"381882"	331.006158	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+K"	38.963158
"740691"	477.027658	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+K"	38.963158
"1547119"	184.984658	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+K"	38.963158
"299560"	166.006717	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+H+K"	39.970434
"693811"	239.017467	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+H+K"	39.970434
"1451642"	92.995967	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H+K"	39.970434
"249000"	334.076826	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+ACN+H"	42.033826
"1217333"	188.055326	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+ACN+H"	42.033826
"1206686"	94.531301	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+ACN+2H"	43.041102
"201015"	337.01416	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+2Na-H"	44.97116
"631464"	483.03566	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+2Na-H"	44.97116
"1134965"	190.99266	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2Na-H"	44.97116
"174493"	169.010718	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+2Na"	45.978436
"621105"	242.021468	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+2Na"	45.978436
"1120237"	95.999968	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2Na"	45.978436
"1400844"	64.3357373333333	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H+2Na"	46.985712
"1436972"	193.034246	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H+HCOOH"	47.012746
"224485"	174.04374	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+3H2O+2H"	56.04448
"1509995"	207.08629	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+IsoProp+H"	61.06479
"409317"	176.997688	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+Na+K"	61.952376
"771403"	250.008438	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+Na+K"	61.952376
"1670651"	103.986938	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Na+K"	61.952376
"254979"	356.058768	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+ACN+Na"	64.015768
"1226957"	210.037268	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+ACN+Na"	64.015768
"1713170"	210.060793	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+NH4+HCOOH"	64.039293
"1179739"	71.6630513333333	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+3Na"	68.967654
"1650362"	215.016188	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Na+HCOOH"	68.994688
"157156"	368.96204	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+2K-H"	76.91904
"597113"	514.98354	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+2K-H"	76.91904
"1086403"	222.94054	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2K-H"	76.91904
"145410"	184.984658	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"2M+2K"	77.926316
"583877"	257.995408	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"3M+2K"	77.926316
"1072400"	111.973908	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2K"	77.926316
"1107803"	224.955092	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2K+H"	78.933592
"1348563"	225.042707	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+DMSO+H"	79.021207
"1020131"	229.081876	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2ACN+H"	83.060376
"1536311"	230.075508	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+IsoProp+Na+H"	84.054008
"1001665"	115.044576	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+2ACN+2H"	84.067652
"1593981"	230.990128	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+K+HCOOH"	84.968628
"1426205"	261.021638	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+H+CF3COOH"	115.000138
"1159772"	135.557851	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+3ACN+2H"	125.094202
"1710417"	278.048185	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+NH4+CF3COOH"	132.026685
"1641693"	283.00358	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+Na+CF3COOH"	136.98208
"1579533"	298.97752	"C06030"	"Methyloxaloacetate"	"C5H6O5"	"146.0215"	"M+K+CF3COOH"	152.95602
"809897"	148.0372	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M"	0
"980149"	129.01881	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"72767"	97.6841906666667	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"515609"	147.029924	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"889036"	48.3384573333333	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"5430"	147.029924	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"446083"	221.048524	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"820604"	73.011324	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"80231"	295.067124	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"519180"	443.104324	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"904522"	147.029924	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"50876"	312.093671	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"500283"	460.130871	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"876263"	164.056471	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"43072"	317.049066	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"485183"	465.086266	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"862256"	169.011866	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1628871"	169.011866	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"97014"	165.018263	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"536574"	239.036863	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"929726"	90.999663	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"269375"	331.043802	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"665080"	479.081002	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1278575"	183.006602	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"21132"	333.023006	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"463972"	481.060206	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"832833"	184.985806	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1555780"	184.985806	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"945127"	193.035394	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"362246"	341.072601	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"346130"	355.088251	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1493141"	207.051051	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"958900"	215.017351	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"112142"	183.006602	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"551338"	257.025202	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1022691"	108.988002	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1244094"	226.956085	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1306543"	229.012072	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1321123"	250.994029	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"914005"	261.022786	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1291808"	296.999464	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1374343"	113.024524	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1390746"	131.0345	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"284965"	297.081676	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"681763"	445.118876	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1353008"	149.044476	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"126746"	149.044476	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"568004"	223.063076	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1042641"	75.025876	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"208357"	99.6987426666667	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"654478"	149.044476	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1168230"	50.3530093333333	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"427850"	314.108223	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"787027"	462.145423	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1684450"	166.071023	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"330907"	157.5577495	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"725515"	231.5763495	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1480062"	83.5391495	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"395097"	319.063618	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"757552"	467.100818	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1604558"	171.026418	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"316053"	160.035447	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"713578"	234.054047	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1463147"	86.016847	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1055906"	57.6803233333333	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1261231"	181.070686	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"385273"	335.037558	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"741168"	483.074758	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1545044"	187.000358	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"300034"	168.022417	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"692829"	242.041017	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1446278"	94.003817	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"243640"	338.108226	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1217443"	190.071026	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1206796"	95.539151	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"201489"	341.04556	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"632666"	489.08276	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1134347"	193.00836	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"175091"	171.026418	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"621215"	245.045018	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1117065"	97.007818	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1400590"	65.0076373333333	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1437082"	195.049946	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"223866"	176.05944	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1508656"	209.10199	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"409181"	179.013388	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"770662"	253.031988	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1666386"	104.994788	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"255455"	360.090168	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1229988"	212.052968	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1714862"	212.076493	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1178756"	72.3349513333333	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1650104"	217.031888	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"157822"	372.99344	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"599087"	521.03064	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1086513"	224.95624	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"144063"	187.000358	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"586177"	261.018958	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1073603"	112.981758	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1112288"	226.970792	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1349766"	227.058407	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1019391"	231.097576	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1534235"	232.091208	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"1001775"	116.052426	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1591905"	233.005828	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1423032"	263.037338	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1152227"	136.565701	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1709434"	280.063885	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1638524"	285.01928	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1579643"	300.99322	"C06031"	"D-threo-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"810007"	148.0372	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M"	0
"986820"	129.01881	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H2O-H"	-19.01839
"72877"	97.6841906666667	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-3H"	-3.021828
"514627"	147.029924	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-3H"	-3.021828
"890244"	48.3384573333333	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-3H"	-3.021828
"9913"	147.029924	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H"	-2.014552
"446193"	221.048524	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H"	-2.014552
"822902"	73.011324	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H"	-2.014552
"82893"	295.067124	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-H"	-1.007276
"520018"	443.104324	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-H"	-1.007276
"904632"	147.029924	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H"	-1.007276
"50258"	312.093671	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+NH4"	16.019271
"499666"	460.130871	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+NH4"	16.019271
"875646"	164.056471	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+NH4"	16.019271
"43184"	317.049066	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+Na"	20.974666
"483837"	465.086266	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+Na"	20.974666
"860911"	169.011866	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+Na"	20.974666
"1628981"	169.011866	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na-2H"	20.974666
"96760"	165.018263	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-H+Cl"	33.962126
"536320"	239.036863	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-H+Cl"	33.962126
"929837"	90.999663	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+Cl"	33.962126
"273861"	331.043802	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Cl"	34.969402
"668472"	479.081002	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Cl"	34.969402
"1280874"	183.006602	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl"	34.969402
"24524"	333.023006	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M-2H+K"	36.948606
"465176"	481.060206	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M-2H+K"	36.948606
"834230"	184.985806	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-2H+K"	36.948606
"1558811"	184.985806	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K-2H"	36.948606
"944509"	193.035394	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+HCOOH"	44.998194
"361991"	341.072601	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+HCOOH-H"	44.998201
"348793"	355.088251	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Hac-H"	59.013851
"1496534"	207.051051	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Hac-H"	59.013851
"962980"	215.017351	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+NaCOOH"	66.980151
"111157"	183.006602	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Cl"	69.938804
"552542"	257.025202	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Cl"	69.938804
"1022435"	108.988002	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Cl"	69.938804
"1245295"	226.956085	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Br"	78.918885
"1309931"	229.012072	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+HCOOH"	80.974872
"1321960"	250.994029	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+NaCOOH"	102.956829
"915205"	261.022786	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M-H+CF3COOH"	112.985586
"1289120"	296.999464	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Cl+CF3COOH"	148.962264
"1368983"	113.024524	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H-2H2O"	-35.012676
"1384656"	131.0345	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H-H2O"	-17.0027
"283983"	297.081676	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H"	1.007276
"680780"	445.118876	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H"	1.007276
"1354942"	149.044476	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H"	1.007276
"125884"	149.044476	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2H"	2.014552
"566294"	223.063076	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2H"	2.014552
"1037644"	75.025876	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2H"	2.014552
"205546"	99.6987426666667	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+3H"	3.021828
"650213"	149.044476	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+3H"	3.021828
"1165055"	50.3530093333333	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3H"	3.021828
"427597"	314.108223	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+NH4"	18.033823
"787503"	462.145423	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+NH4"	18.033823
"1682738"	166.071023	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4"	18.033823
"331746"	157.5577495	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+NH4"	19.041099
"723560"	231.5763495	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+NH4"	19.041099
"1479810"	83.5391495	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+NH4"	19.041099
"394479"	319.063618	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Na"	22.989218
"756571"	467.100818	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Na"	22.989218
"1604057"	171.026418	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na"	22.989218
"315796"	160.035447	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+Na"	23.996494
"713688"	234.054047	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+Na"	23.996494
"1463498"	86.016847	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+Na"	23.996494
"1054195"	57.6803233333333	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2H+Na"	25.00377
"1261340"	181.070686	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+CH3OH+H"	33.033486
"383197"	335.037558	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+K"	38.963158
"742008"	483.074758	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+K"	38.963158
"1545155"	187.000358	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K"	38.963158
"299050"	168.022417	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+H+K"	39.970434
"692207"	242.041017	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+H+K"	39.970434
"1447117"	94.003817	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+K"	39.970434
"237181"	338.108226	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+ACN+H"	42.033826
"1216460"	190.071026	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+H"	42.033826
"1201435"	95.539151	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+2H"	43.041102
"199776"	341.04556	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Na-H"	44.97116
"630953"	489.08276	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Na-H"	44.97116
"1135187"	193.00836	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Na-H"	44.97116
"176295"	171.026418	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2Na"	45.978436
"619137"	245.045018	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2Na"	45.978436
"1120456"	97.007818	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2Na"	45.978436
"1400700"	65.0076373333333	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+2Na"	46.985712
"1435004"	195.049946	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+HCOOH"	47.012746
"221667"	176.05944	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+3H2O+2H"	56.04448
"1510580"	209.10199	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+IsoProp+H"	61.06479
"408926"	179.013388	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+Na+K"	61.952376
"770529"	253.031988	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+Na+K"	61.952376
"1665890"	104.994788	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+K"	61.952376
"255202"	360.090168	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+ACN+Na"	64.015768
"1226939"	212.052968	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+ACN+Na"	64.015768
"1713432"	212.076493	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4+HCOOH"	64.039293
"1178742"	72.3349513333333	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3Na"	68.967654
"1651316"	217.031888	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+HCOOH"	68.994688
"157811"	372.99344	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2K-H"	76.91904
"599197"	521.03064	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2K-H"	76.91904
"1088449"	224.95624	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K-H"	76.91904
"143808"	187.000358	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"2M+2K"	77.926316
"585923"	261.018958	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"3M+2K"	77.926316
"1071527"	112.981758	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K"	77.926316
"1113127"	226.970792	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2K+H"	78.933592
"1345502"	227.058407	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+DMSO+H"	79.021207
"1020230"	231.097576	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2ACN+H"	83.060376
"1535438"	232.091208	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+IsoProp+Na+H"	84.054008
"998605"	116.052426	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+2ACN+2H"	84.067652
"1595295"	233.005828	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K+HCOOH"	84.968628
"1422048"	263.037338	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+H+CF3COOH"	115.000138
"1156711"	136.565701	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+3ACN+2H"	125.094202
"1709543"	280.063885	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+NH4+CF3COOH"	132.026685
"1648111"	285.01928	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+Na+CF3COOH"	136.98208
"1576471"	300.99322	"C06032"	"D-erythro-3-Methylmalate;(2R3S)-3-Methylmalate"	"C5H8O5"	"148.0372"	"M+K+CF3COOH"	152.95602
"816437"	176.0321	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M"	0
"980371"	157.01371	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"68612"	116.347457333333	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"517898"	175.024824	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"894241"	57.6700906666667	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"6744"	175.024824	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"447398"	263.040874	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"825199"	87.008774	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"83003"	351.056924	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"521464"	527.089024	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"904742"	175.024824	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"50731"	368.083471	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"499779"	544.115571	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"875392"	192.051371	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"44025"	373.038866	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"483948"	549.070966	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"861384"	197.006766	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1633551"	197.006766	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"102338"	193.013163	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"536432"	281.029213	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"936508"	104.997113	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"281872"	387.033602	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"670768"	563.065702	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1284994"	211.001502	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"25728"	389.012806	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"466381"	565.044906	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"837621"	212.980706	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1558924"	212.980706	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"945715"	221.030294	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"362830"	397.062401	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"347808"	411.078051	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1495183"	235.045951	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"961630"	243.012251	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"112361"	211.001502	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"552286"	299.017552	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1022909"	122.985452	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1246500"	254.950985	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1310042"	257.006972	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1322071"	278.988929	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"913130"	289.017686	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1288986"	324.994364	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1368728"	141.019424	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1384766"	159.0294	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"285549"	353.071476	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"678703"	529.103576	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1353959"	177.039376	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"126116"	177.039376	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"566162"	265.055426	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1037878"	89.023326	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"205779"	118.362009333333	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"649592"	177.039376	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1166259"	59.6846426666667	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"430625"	370.098023	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"788706"	546.130123	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1683215"	194.065923	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"331129"	185.5526495	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"723914"	273.5686995	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1478462"	97.5365995	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"393494"	375.053418	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"756682"	551.085518	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1602752"	199.021318	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"314310"	188.030347	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"714893"	276.046397	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1468712"	100.014297	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1056126"	67.0119566666667	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1260356"	209.065586	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"381121"	391.027358	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"742119"	567.059458	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1546360"	214.995258	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"301347"	196.017317	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"692315"	284.033367	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1446498"	108.001267	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"236033"	394.098026	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1219850"	218.065926	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1202638"	109.536601	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"202073"	397.03536	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"633981"	573.06746	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1132504"	221.00326	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"179685"	199.021318	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"621434"	287.037368	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1121661"	111.005268	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1407371"	74.3392706666667	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1437302"	223.044846	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"224815"	204.05434	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1512877"	237.09689	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"411469"	207.008288	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"771371"	295.024338	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1672076"	118.992238	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"257499"	416.079968	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1228022"	240.047868	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1714721"	240.071393	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1179709"	81.6665846666667	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1653249"	245.026788	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"157559"	428.98324	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"605144"	605.01534	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1092937"	252.95114	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"147565"	214.995258	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"590407"	303.011308	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1072002"	126.979208	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1109226"	254.965692	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1349987"	255.053307	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1017425"	259.092476	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1532268"	260.086108	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"1001997"	130.049876	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1594314"	261.000728	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1419972"	291.032238	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1159009"	150.563151	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1704188"	308.058785	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1647129"	313.01418	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1579863"	328.98812	"C06033"	"Parapyruvate;4-Hydroxy-4-methyl-2-oxoglutarate"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"810227"	177.0637	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M"	0
"977200"	158.04531	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-H2O-H"	-19.01839
"65805"	117.035190666667	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M-3H"	-3.021828
"514847"	176.056424	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M-3H"	-3.021828
"890461"	58.0139573333333	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-3H"	-3.021828
"6855"	176.056424	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M-2H"	-2.014552
"451882"	264.588274	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M-2H"	-2.014552
"828591"	87.524574	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-2H"	-2.014552
"84207"	353.120124	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M-H"	-1.007276
"519513"	530.183824	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M-H"	-1.007276
"904852"	176.056424	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-H"	-1.007276
"49747"	370.146671	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M-2H+NH4"	16.019271
"499525"	547.210371	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M-2H+NH4"	16.019271
"876960"	193.082971	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-2H+NH4"	16.019271
"45224"	375.102066	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M-2H+Na"	20.974666
"485512"	552.165766	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M-2H+Na"	20.974666
"861854"	198.038366	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-2H+Na"	20.974666
"1629201"	198.038366	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Na-2H"	20.974666
"99168"	194.044763	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M-H+Cl"	33.962126
"536542"	282.576613	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M-H+Cl"	33.962126
"936618"	105.512913	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-H+Cl"	33.962126
"282552"	389.096802	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+Cl"	34.969402
"673065"	566.160502	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+Cl"	34.969402
"1285103"	212.033102	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Cl"	34.969402
"25838"	391.076006	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M-2H+K"	36.948606
"466492"	568.139706	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M-2H+K"	36.948606
"839918"	214.012306	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-2H+K"	36.948606
"1559398"	214.012306	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+K-2H"	36.948606
"945823"	222.061894	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-H+HCOOH"	44.998194
"363671"	399.125601	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+HCOOH-H"	44.998201
"350470"	413.141251	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+Hac-H"	59.013851
"1495656"	236.077551	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Hac-H"	59.013851
"963199"	244.043851	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-H+NaCOOH"	66.980151
"111741"	212.033102	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+2Cl"	69.938804
"551059"	300.564952	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+2Cl"	69.938804
"1024109"	123.501252	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2Cl"	69.938804
"1244784"	255.982585	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Br"	78.918885
"1312337"	258.038572	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Cl+HCOOH"	80.974872
"1328743"	280.020529	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Cl+NaCOOH"	102.956829
"925634"	290.049286	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M-H+CF3COOH"	112.985586
"1298697"	326.025964	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Cl+CF3COOH"	148.962264
"1373577"	142.051024	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H-2H2O"	-35.012676
"1386701"	160.061	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H-H2O"	-17.0027
"286748"	355.134676	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+H"	1.007276
"682093"	532.198376	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+H"	1.007276
"1358443"	178.070976	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H"	1.007276
"128054"	178.070976	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+2H"	2.014552
"567610"	266.602826	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+2H"	2.014552
"1037627"	89.539126	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2H"	2.014552
"207956"	119.049742666667	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+3H"	3.021828
"650433"	178.070976	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+3H"	3.021828
"1167098"	60.0285093333333	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+3H"	3.021828
"428915"	372.161223	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+NH4"	18.033823
"788090"	549.224923	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+NH4"	18.033823
"1683689"	195.097523	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+NH4"	18.033823
"333064"	186.5842495	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+H+NH4"	19.041099
"725120"	275.1160995	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+H+NH4"	19.041099
"1479304"	98.0523995	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H+NH4"	19.041099
"393731"	377.116618	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+Na"	22.989218
"754847"	554.180318	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+Na"	22.989218
"1603552"	200.052918	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Na"	22.989218
"314925"	189.061947	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+H+Na"	23.996494
"717189"	277.593797	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+H+Na"	23.996494
"1469916"	100.530097	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H+Na"	23.996494
"1056604"	67.3558233333333	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2H+Na"	25.00377
"1263748"	210.097186	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+CH3OH+H"	33.033486
"385604"	393.090558	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+K"	38.963158
"747695"	570.154258	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+K"	38.963158
"1548658"	216.026858	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+K"	38.963158
"307656"	197.048917	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+H+K"	39.970434
"697164"	285.580767	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+H+K"	39.970434
"1451347"	108.517067	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H+K"	39.970434
"236305"	396.161226	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+ACN+H"	42.033826
"1219960"	219.097526	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+ACN+H"	42.033826
"1203847"	110.052401	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+ACN+2H"	43.041102
"196720"	399.09856	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+2Na-H"	44.97116
"630811"	576.16226	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+2Na-H"	44.97116
"1132371"	222.03486	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2Na-H"	44.97116
"178702"	200.052918	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+2Na"	45.978436
"622637"	288.584768	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+2Na"	45.978436
"1121771"	111.521068	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2Na"	45.978436
"1407481"	74.6831373333333	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H+2Na"	46.985712
"1438505"	224.076446	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H+HCOOH"	47.012746
"222737"	205.08594	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+3H2O+2H"	56.04448
"1512987"	238.12849	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+IsoProp+H"	61.06479
"410485"	208.039888	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+Na+K"	61.952376
"771480"	296.571738	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+Na+K"	61.952376
"1667810"	119.508038	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Na+K"	61.952376
"254330"	418.143168	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+ACN+Na"	64.015768
"1227402"	241.079468	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+ACN+Na"	64.015768
"1714829"	241.102993	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+NH4+HCOOH"	64.039293
"1179818"	82.0104513333333	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+3Na"	68.967654
"1651174"	246.058388	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Na+HCOOH"	68.994688
"159126"	431.04644	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+2K-H"	76.91904
"604159"	608.11014	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+2K-H"	76.91904
"1086849"	253.98274	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2K-H"	76.91904
"145489"	216.026858	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"2M+2K"	77.926316
"583954"	304.558708	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"3M+2K"	77.926316
"1072839"	127.495008	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2K"	77.926316
"1102035"	255.997292	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2K+H"	78.933592
"1338787"	256.084907	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+DMSO+H"	79.021207
"1017535"	260.124076	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2ACN+H"	83.060376
"1535659"	261.117708	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+IsoProp+Na+H"	84.054008
"1002108"	130.565676	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+2ACN+2H"	84.067652
"1591144"	262.032328	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+K+HCOOH"	84.968628
"1420083"	292.063838	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+H+CF3COOH"	115.000138
"1158026"	151.078951	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+3ACN+2H"	125.094202
"1708673"	309.090385	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+NH4+CF3COOH"	132.026685
"1647239"	314.04578	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+Na+CF3COOH"	136.98208
"1579973"	330.01972	"C06034"	"4-Hydroxy-4-methylglutamate"	"C6H11NO5"	"177.0637"	"M+K+CF3COOH"	152.95602
"810337"	158.0215	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M"	0
"980590"	139.00311	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-H2O-H"	-19.01839
"65915"	104.340390666667	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M-3H"	-3.021828
"509486"	157.014224	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M-3H"	-3.021828
"890572"	51.6665573333333	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-3H"	-3.021828
"6964"	157.014224	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M-2H"	-2.014552
"449806"	236.024974	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M-2H"	-2.014552
"825420"	78.003474	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-2H"	-2.014552
"84317"	315.035724	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M-H"	-1.007276
"520349"	473.057224	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M-H"	-1.007276
"902774"	157.014224	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-H"	-1.007276
"49858"	332.062271	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M-2H+NH4"	16.019271
"500722"	490.083771	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M-2H+NH4"	16.019271
"873421"	174.040771	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-2H+NH4"	16.019271
"44603"	337.017666	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M-2H+Na"	20.974666
"478695"	495.039166	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M-2H+Na"	20.974666
"858684"	178.996166	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-2H+Na"	20.974666
"1623844"	178.996166	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Na-2H"	20.974666
"97091"	175.002563	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M-H+Cl"	33.962126
"536650"	254.013313	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M-H+Cl"	33.962126
"931261"	95.991813	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-H+Cl"	33.962126
"269818"	351.012402	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+Cl"	34.969402
"664426"	509.033902	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+Cl"	34.969402
"1274642"	192.990902	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Cl"	34.969402
"19385"	352.991606	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M-2H+K"	36.948606
"461495"	511.013106	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M-2H+K"	36.948606
"835288"	194.970106	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-2H+K"	36.948606
"1559872"	194.970106	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+K-2H"	36.948606
"943379"	203.019694	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-H+HCOOH"	44.998194
"361830"	361.041201	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+HCOOH-H"	44.998201
"345833"	375.056851	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+Hac-H"	59.013851
"1492923"	217.035351	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Hac-H"	59.013851
"958847"	225.001651	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-H+NaCOOH"	66.980151
"111486"	192.990902	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+2Cl"	69.938804
"551048"	272.001652	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+2Cl"	69.938804
"1023126"	113.980152	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2Cl"	69.938804
"1241732"	236.940385	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Br"	78.918885
"1304426"	238.996372	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Cl+HCOOH"	80.974872
"1326665"	260.978329	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Cl+NaCOOH"	102.956829
"923921"	271.007086	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M-H+CF3COOH"	112.985586
"1298807"	306.983764	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Cl+CF3COOH"	148.962264
"1371501"	123.008824	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H-2H2O"	-35.012676
"1386082"	141.0188	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H-H2O"	-17.0027
"283700"	317.050276	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+H"	1.007276
"682203"	475.071776	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+H"	1.007276
"1358553"	159.028776	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H"	1.007276
"128528"	159.028776	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+2H"	2.014552
"569181"	238.039526	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+2H"	2.014552
"1038462"	80.018026	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2H"	2.014552
"206364"	106.354942666667	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+3H"	3.021828
"652731"	159.028776	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+3H"	3.021828
"1164655"	53.6811093333333	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+3H"	3.021828
"427566"	334.076823	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+NH4"	18.033823
"786619"	492.098323	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+NH4"	18.033823
"1681406"	176.055323	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+NH4"	18.033823
"330984"	167.5420495	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+H+NH4"	19.041099
"725592"	246.5527995	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+H+NH4"	19.041099
"1479414"	88.5312995	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H+NH4"	19.041099
"393232"	339.032218	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+Na"	22.989218
"755927"	497.053718	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+Na"	22.989218
"1603177"	181.010718	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Na"	22.989218
"314588"	170.019747	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+H+Na"	23.996494
"716205"	249.030497	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+H+Na"	23.996494
"1471119"	91.008997	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H+Na"	23.996494
"1056711"	61.0084233333333	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2H+Na"	25.00377
"1262764"	191.054986	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+CH3OH+H"	33.033486
"381341"	355.006158	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+K"	38.963158
"742337"	513.027658	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+K"	38.963158
"1545486"	196.984658	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+K"	38.963158
"300474"	178.006717	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+H+K"	39.970434
"695086"	257.017467	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+H+K"	39.970434
"1449270"	98.995967	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H+K"	39.970434
"237144"	358.076826	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+ACN+H"	42.033826
"1217884"	200.055326	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+ACN+H"	42.033826
"1203957"	100.531301	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+ACN+2H"	43.041102
"197921"	361.01416	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+2Na-H"	44.97116
"631649"	519.03566	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+2Na-H"	44.97116
"1133086"	202.99266	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2Na-H"	44.97116
"174798"	181.010718	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+2Na"	45.978436
"617279"	260.021468	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+2Na"	45.978436
"1120785"	101.999968	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2Na"	45.978436
"1401270"	68.3357373333333	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H+2Na"	46.985712
"1438615"	205.034246	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H+HCOOH"	47.012746
"223936"	186.04374	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+3H2O+2H"	56.04448
"1513097"	219.08629	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+IsoProp+H"	61.06479
"410596"	188.997688	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+Na+K"	61.952376
"772685"	268.008438	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+Na+K"	61.952376
"1667311"	109.986938	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Na+K"	61.952376
"255534"	380.058768	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+ACN+Na"	64.015768
"1229332"	222.037268	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+ACN+Na"	64.015768
"1716031"	222.060793	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+NH4+HCOOH"	64.039293
"1181385"	75.6630513333333	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+3Na"	68.967654
"1652741"	227.016188	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Na+HCOOH"	68.994688
"160330"	392.96204	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+2K-H"	76.91904
"600989"	550.98354	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+2K-H"	76.91904
"1087688"	234.94054	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2K-H"	76.91904
"144505"	196.984658	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"2M+2K"	77.926316
"584428"	275.995408	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"3M+2K"	77.926316
"1071854"	117.973908	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2K"	77.926316
"1101902"	236.955092	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2K+H"	78.933592
"1339625"	237.042707	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+DMSO+H"	79.021207
"1018738"	241.081876	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2ACN+H"	83.060376
"1535769"	242.075508	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+IsoProp+Na+H"	84.054008
"1001124"	121.044576	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+2ACN+2H"	84.067652
"1594534"	242.990128	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+K+HCOOH"	84.968628
"1423473"	273.021638	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+H+CF3COOH"	115.000138
"1158136"	141.557851	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+3ACN+2H"	125.094202
"1709876"	290.048185	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+NH4+CF3COOH"	132.026685
"1648078"	295.00358	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+Na+CF3COOH"	136.98208
"1580083"	310.97752	"C06035"	"4-Methylene-2-oxoglutarate;2-Methylidene-4-oxopentanedioic acid;4-Carboxy-2-oxo-4-pentenoate"	"C6H6O5"	"158.0215"	"M+K+CF3COOH"	152.95602
"802433"	138.0681	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M"	0
"985081"	119.04971	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-H2O-H"	-19.01839
"76605"	91.038124	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M-3H"	-3.021828
"512885"	137.060824	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M-3H"	-3.021828
"891780"	45.015424	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-3H"	-3.021828
"5980"	137.060824	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M-2H"	-2.014552
"443718"	206.094874	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M-2H"	-2.014552
"823346"	68.026774	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-2H"	-2.014552
"87711"	275.128924	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M-H"	-1.007276
"531647"	413.197024	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M-H"	-1.007276
"910178"	137.060824	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-H"	-1.007276
"58359"	292.155471	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M-2H+NH4"	16.019271
"499009"	430.223571	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M-2H+NH4"	16.019271
"874624"	154.087371	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-2H+NH4"	16.019271
"45807"	297.110866	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M-2H+Na"	20.974666
"486787"	435.178966	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M-2H+Na"	20.974666
"862074"	159.042766	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-2H+Na"	20.974666
"1629421"	159.042766	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Na-2H"	20.974666
"99388"	155.049163	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M-H+Cl"	33.962126
"543322"	224.083213	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M-H+Cl"	33.962126
"928576"	86.015113	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-H+Cl"	33.962126
"269925"	311.105602	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+Cl"	34.969402
"663810"	449.173702	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+Cl"	34.969402
"1273416"	173.037502	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Cl"	34.969402
"19496"	313.084806	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M-2H+K"	36.948606
"457233"	451.152906	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M-2H+K"	36.948606
"837955"	175.016706	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-2H+K"	36.948606
"1561441"	175.016706	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+K-2H"	36.948606
"946045"	183.066294	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-H+HCOOH"	44.998194
"365354"	321.134401	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+HCOOH-H"	44.998201
"345771"	335.150051	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+Hac-H"	59.013851
"1494420"	197.081951	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Hac-H"	59.013851
"960139"	205.048251	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-H+NaCOOH"	66.980151
"110272"	173.037502	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+2Cl"	69.938804
"552982"	242.071552	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+2Cl"	69.938804
"1025062"	104.003452	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2Cl"	69.938804
"1241333"	216.986985	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Br"	78.918885
"1305997"	219.042972	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Cl+HCOOH"	80.974872
"1321307"	241.024929	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Cl+NaCOOH"	102.956829
"914194"	251.053686	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M-H+CF3COOH"	112.985586
"1289809"	287.030364	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Cl+CF3COOH"	148.962264
"1369432"	103.055424	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H-2H2O"	-35.012676
"1384009"	121.0654	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H-H2O"	-17.0027
"284789"	277.143476	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+H"	1.007276
"679035"	415.211576	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+H"	1.007276
"1354656"	139.075376	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H"	1.007276
"125903"	139.075376	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+2H"	2.014552
"565884"	208.109426	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+2H"	2.014552
"1038217"	70.041326	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2H"	2.014552
"205265"	93.052676	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+3H"	3.021828
"644824"	139.075376	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+3H"	3.021828
"1164412"	47.029976	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+3H"	3.021828
"424765"	294.170023	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+NH4"	18.033823
"785880"	432.238123	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+NH4"	18.033823
"1681520"	156.101923	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+NH4"	18.033823
"330202"	147.5886495	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+H+NH4"	19.041099
"722947"	216.6226995	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+H+NH4"	19.041099
"1477158"	78.5545995	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H+NH4"	19.041099
"397112"	299.125418	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+Na"	22.989218
"761385"	437.193518	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+Na"	22.989218
"1607297"	161.057318	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Na"	22.989218
"321707"	150.066347	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+H+Na"	23.996494
"713035"	219.100397	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+H+Na"	23.996494
"1462479"	81.032297	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H+Na"	23.996494
"1052827"	54.35729	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2H+Na"	25.00377
"1257164"	171.101586	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+CH3OH+H"	33.033486
"377321"	315.099358	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+K"	38.963158
"744650"	453.167458	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+K"	38.963158
"1548891"	177.031258	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+K"	38.963158
"313725"	158.053317	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+H+K"	39.970434
"703962"	227.087367	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+H+K"	39.970434
"1458876"	89.019267	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H+K"	39.970434
"247478"	318.170026	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+ACN+H"	42.033826
"1219095"	180.101926	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+ACN+H"	42.033826
"1204071"	90.554601	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+ACN+2H"	43.041102
"199862"	321.10736	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+2Na-H"	44.97116
"643756"	459.17546	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+2Na-H"	44.97116
"1142198"	183.03926	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2Na-H"	44.97116
"183303"	161.057318	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+2Na"	45.978436
"625049"	230.091368	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+2Na"	45.978436
"1120902"	92.023268	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2Na"	45.978436
"1404058"	61.684604	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H+2Na"	46.985712
"1439820"	185.080846	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H+HCOOH"	47.012746
"223319"	166.09034	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+3H2O+2H"	56.04448
"1515390"	199.13289	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+IsoProp+H"	61.06479
"409973"	169.044288	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+Na+K"	61.952376
"772061"	238.078338	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+Na+K"	61.952376
"1667539"	100.010238	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Na+K"	61.952376
"253574"	340.151968	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+ACN+Na"	64.015768
"1227985"	202.083868	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+ACN+Na"	64.015768
"1715778"	202.107393	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+NH4+HCOOH"	64.039293
"1181136"	69.011918	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+3Na"	68.967654
"1651151"	207.062788	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Na+HCOOH"	68.994688
"160447"	353.05524	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+2K-H"	76.91904
"602193"	491.12334	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+2K-H"	76.91904
"1089989"	214.98714	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2K-H"	76.91904
"152275"	177.031258	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"2M+2K"	77.926316
"588554"	246.065308	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"3M+2K"	77.926316
"1077441"	107.997208	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2K"	77.926316
"1107370"	217.001692	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2K+H"	78.933592
"1349224"	217.089307	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+DMSO+H"	79.021207
"1016658"	221.128476	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2ACN+H"	83.060376
"1534784"	222.122108	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+IsoProp+Na+H"	84.054008
"999046"	111.067876	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+2ACN+2H"	84.067652
"1595738"	223.036728	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+K+HCOOH"	84.968628
"1424677"	253.068238	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+H+CF3COOH"	115.000138
"1157151"	131.581151	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+3ACN+2H"	125.094202
"1704514"	270.094785	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+NH4+CF3COOH"	132.026685
"1642358"	275.05018	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+Na+CF3COOH"	136.98208
"1580199"	291.02412	"C06044"	"4-Hydroxyphenylethanol;Tyrosol"	"C8H10O2"	"138.0681"	"M+K+CF3COOH"	152.95602
"801512"	300.1209	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M"	0
"986285"	281.10251	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-H2O-H"	-19.01839
"73434"	199.073324	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M-3H"	-3.021828
"507891"	299.113624	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M-3H"	-3.021828
"885328"	99.033024	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-3H"	-3.021828
"4267"	299.113624	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M-2H"	-2.014552
"440588"	449.174074	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M-2H"	-2.014552
"820903"	149.053174	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-2H"	-2.014552
"92561"	599.234524	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M-H"	-1.007276
"520825"	899.355424	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M-H"	-1.007276
"899722"	299.113624	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-H"	-1.007276
"55188"	616.261071	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M-2H+NH4"	16.019271
"494747"	916.381971	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M-2H+NH4"	16.019271
"873641"	316.140171	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-2H+NH4"	16.019271
"43729"	621.216466	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M-2H+Na"	20.974666
"484749"	921.337366	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M-2H+Na"	20.974666
"858904"	321.095566	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-2H+Na"	20.974666
"1622971"	321.095566	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Na-2H"	20.974666
"99498"	317.101963	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M-H+Cl"	33.962126
"540152"	467.162413	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M-H+Cl"	33.962126
"927428"	167.041513	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-H+Cl"	33.962126
"268335"	635.211202	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+Cl"	34.969402
"663556"	935.332102	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+Cl"	34.969402
"1273526"	335.090302	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Cl"	34.969402
"17785"	637.190406	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M-2H+K"	36.948606
"455955"	937.311306	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M-2H+K"	36.948606
"833159"	337.069506	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-2H+K"	36.948606
"1555798"	337.069506	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+K-2H"	36.948606
"945062"	345.119094	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-H+HCOOH"	44.998194
"364369"	645.240001	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+HCOOH-H"	44.998201
"349711"	659.255651	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+Hac-H"	59.013851
"1495260"	359.134751	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Hac-H"	59.013851
"958786"	367.101051	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-H+NaCOOH"	66.980151
"110491"	335.090302	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+2Cl"	69.938804
"550015"	485.150752	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+2Cl"	69.938804
"1022985"	185.029852	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2Cl"	69.938804
"1242564"	379.039785	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Br"	78.918885
"1305011"	381.095772	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Cl+HCOOH"	80.974872
"1320563"	403.077729	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Cl+NaCOOH"	102.956829
"916131"	413.106486	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M-H+CF3COOH"	112.985586
"1290651"	449.083164	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Cl+CF3COOH"	148.962264
"1368204"	265.108224	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H-2H2O"	-35.012676
"1382859"	283.1182	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H-H2O"	-17.0027
"285264"	601.249076	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+H"	1.007276
"676712"	901.369976	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+H"	1.007276
"1353307"	301.128176	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H"	1.007276
"125832"	301.128176	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+2H"	2.014552
"566358"	451.188626	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+2H"	2.014552
"1037841"	151.067726	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2H"	2.014552
"205377"	201.087876	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+3H"	3.021828
"644573"	301.128176	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+3H"	3.021828
"1164522"	101.047576	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+3H"	3.021828
"424876"	618.275623	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+NH4"	18.033823
"788786"	918.396523	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+NH4"	18.033823
"1684021"	318.154723	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+NH4"	18.033823
"333394"	309.6414495	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+H+NH4"	19.041099
"728002"	459.7018995	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+H+NH4"	19.041099
"1480728"	159.5809995	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H+NH4"	19.041099
"399410"	623.231018	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+Na"	22.989218
"763683"	923.351918	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+Na"	22.989218
"1608501"	323.110118	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Na"	22.989218
"318537"	312.119147	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+H+Na"	23.996494
"707350"	462.179597	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+H+Na"	23.996494
"1461862"	162.058697	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H+Na"	23.996494
"1052845"	108.37489	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2H+Na"	25.00377
"1258617"	333.154386	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+CH3OH+H"	33.033486
"379017"	639.204958	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+K"	38.963158
"741843"	939.325858	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+K"	38.963158
"1545721"	339.084058	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+K"	38.963158
"311648"	320.106117	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+H+K"	39.970434
"701885"	470.166567	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+H+K"	39.970434
"1457893"	170.045667	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H+K"	39.970434
"250144"	642.275626	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+ACN+H"	42.033826
"1219204"	342.154726	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+ACN+H"	42.033826
"1206370"	171.581001	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+ACN+2H"	43.041102
"199972"	645.21296	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+2Na-H"	44.97116
"642813"	945.33386	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+2Na-H"	44.97116
"1137207"	345.09206	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2Na-H"	44.97116
"185234"	323.110118	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+2Na"	45.978436
"621880"	473.170568	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+2Na"	45.978436
"1127572"	173.049668	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2Na"	45.978436
"1408908"	115.702204	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H+2Na"	46.985712
"1435192"	347.133646	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H+HCOOH"	47.012746
"222336"	328.14314	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+3H2O+2H"	56.04448
"1514407"	361.18569	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+IsoProp+H"	61.06479
"409354"	331.097088	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+Na+K"	61.952376
"770224"	481.157538	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+Na+K"	61.952376
"1666313"	181.036638	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Na+K"	61.952376
"251738"	664.257568	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+ACN+Na"	64.015768
"1226270"	364.136668	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+ACN+Na"	64.015768
"1714796"	364.160193	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+NH4+HCOOH"	64.039293
"1181244"	123.029518	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+3Na"	68.967654
"1650897"	369.115588	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Na+HCOOH"	68.994688
"159463"	677.16084	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+2K-H"	76.91904
"599023"	977.28174	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+2K-H"	76.91904
"1090099"	377.03994	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2K-H"	76.91904
"146917"	339.084058	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"2M+2K"	77.926316
"587572"	489.144508	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"3M+2K"	77.926316
"1077552"	189.023608	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2K"	77.926316
"1110762"	379.054492	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2K+H"	78.933592
"1347150"	379.142107	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+DMSO+H"	79.021207
"1014582"	383.181276	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2ACN+H"	83.060376
"1531616"	384.174908	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+IsoProp+Na+H"	84.054008
"996968"	192.094276	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+2ACN+2H"	84.067652
"1596938"	385.089528	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+K+HCOOH"	84.968628
"1422598"	415.121038	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+H+CF3COOH"	115.000138
"1151790"	212.607551	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+3ACN+2H"	125.094202
"1704627"	432.147585	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+NH4+CF3COOH"	132.026685
"1639185"	437.10298	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+Na+CF3COOH"	136.98208
"1580309"	453.07692	"C06046"	"Salidroside;p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside;Tyrosol glucoside"	"C14H20O7"	"300.1209"	"M+K+CF3COOH"	152.95602
"802046"	227.043	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M"	0
"986395"	208.02461	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-H2O-H"	-19.01839
"73544"	150.354724	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M-3H"	-3.021828
"506544"	226.035724	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M-3H"	-3.021828
"885438"	74.673724	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-3H"	-3.021828
"4377"	226.035724	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M-2H"	-2.014552
"440294"	339.557224	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M-2H"	-2.014552
"817447"	112.514224	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-2H"	-2.014552
"83558"	453.078724	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M-H"	-1.007276
"526400"	680.121724	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M-H"	-1.007276
"900923"	226.035724	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-H"	-1.007276
"50922"	470.105271	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M-2H+NH4"	16.019271
"494856"	697.148271	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M-2H+NH4"	16.019271
"872658"	243.062271	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-2H+NH4"	16.019271
"42748"	475.060666	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M-2H+Na"	20.974666
"480121"	702.103666	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M-2H+Na"	20.974666
"859018"	248.017666	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-2H+Na"	20.974666
"1630377"	248.017666	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Na-2H"	20.974666
"105079"	244.024063	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M-H+Cl"	33.962126
"545732"	357.545563	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M-H+Cl"	33.962126
"929405"	130.502563	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-H+Cl"	33.962126
"269054"	489.055402	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+Cl"	34.969402
"662572"	716.098402	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+Cl"	34.969402
"1273881"	262.012402	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Cl"	34.969402
"16437"	491.034606	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M-2H+K"	36.948606
"456639"	718.077606	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M-2H+K"	36.948606
"835985"	263.991606	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-2H+K"	36.948606
"1556312"	263.991606	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+K-2H"	36.948606
"943346"	272.041194	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-H+HCOOH"	44.998194
"362657"	499.084201	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+HCOOH-H"	44.998201
"347269"	513.099851	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+Hac-H"	59.013851
"1500840"	286.056851	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Hac-H"	59.013851
"962549"	294.023151	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-H+NaCOOH"	66.980151
"115101"	262.012402	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+2Cl"	69.938804
"554297"	375.533902	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+2Cl"	69.938804
"1026379"	148.490902	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2Cl"	69.938804
"1244864"	305.961885	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Br"	78.918885
"1306582"	308.017872	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Cl+HCOOH"	80.974872
"1322987"	329.999829	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Cl+NaCOOH"	102.956829
"911527"	340.028586	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M-H+CF3COOH"	112.985586
"1289172"	376.005264	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Cl+CF3COOH"	148.962264
"1369528"	192.030324	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H-2H2O"	-35.012676
"1383496"	210.0403	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H-H2O"	-17.0027
"283550"	455.093276	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+H"	1.007276
"676454"	682.136276	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+H"	1.007276
"1351954"	228.050276	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H"	1.007276
"126307"	228.050276	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+2H"	2.014552
"566102"	341.571776	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+2H"	2.014552
"1038316"	114.528776	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2H"	2.014552
"206216"	152.369276	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+3H"	3.021828
"645533"	228.050276	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+3H"	3.021828
"1164632"	76.688276	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+3H"	3.021828
"425349"	472.119823	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+NH4"	18.033823
"788896"	699.162823	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+NH4"	18.033823
"1684498"	245.076823	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+NH4"	18.033823
"335693"	236.5635495	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+H+NH4"	19.041099
"729207"	350.0850495	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+H+NH4"	19.041099
"1483025"	123.0420495	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H+NH4"	19.041099
"401707"	477.075218	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+Na"	22.989218
"764887"	704.118218	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+Na"	22.989218
"1610798"	250.032218	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Na"	22.989218
"324115"	239.041247	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+H+Na"	23.996494
"713257"	352.562747	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+H+Na"	23.996494
"1463800"	125.519747	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H+Na"	23.996494
"1054739"	84.01559	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2H+Na"	25.00377
"1259456"	260.076486	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+CH3OH+H"	33.033486
"378764"	493.049158	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+K"	38.963158
"740857"	720.092158	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+K"	38.963158
"1543636"	266.006158	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+K"	38.963158
"300813"	247.028217	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+H+K"	39.970434
"695430"	360.549717	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+H+K"	39.970434
"1447428"	133.506717	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H+K"	39.970434
"247698"	496.119826	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+ACN+H"	42.033826
"1219314"	269.076826	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+ACN+H"	42.033826
"1199914"	135.042051	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+ACN+2H"	43.041102
"199717"	499.05716	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+2Na-H"	44.97116
"640373"	726.10016	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+2Na-H"	44.97116
"1138046"	272.01416	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2Na-H"	44.97116
"177691"	250.032218	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+2Na"	45.978436
"616158"	363.553718	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+2Na"	45.978436
"1117839"	136.510718	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2Na"	45.978436
"1400268"	91.342904	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H+2Na"	46.985712
"1430231"	274.055746	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H+HCOOH"	47.012746
"221345"	255.06524	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+3H2O+2H"	56.04448
"1508716"	288.10779	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+IsoProp+H"	61.06479
"409091"	258.019188	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+Na+K"	61.952376
"770573"	371.540688	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+Na+K"	61.952376
"1666175"	144.497688	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Na+K"	61.952376
"251763"	518.101768	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+ACN+Na"	64.015768
"1227470"	291.058768	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+ACN+Na"	64.015768
"1713923"	291.082293	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+NH4+HCOOH"	64.039293
"1179280"	98.670218	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+3Na"	68.967654
"1650880"	296.037688	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Na+HCOOH"	68.994688
"160665"	531.00504	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+2K-H"	76.91904
"598161"	758.04804	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+2K-H"	76.91904
"1086193"	303.96204	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2K-H"	76.91904
"148118"	266.006158	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"2M+2K"	77.926316
"589866"	379.527658	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"3M+2K"	77.926316
"1073284"	152.484658	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2K"	77.926316
"1106496"	305.976592	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2K+H"	78.933592
"1345074"	306.064207	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+DMSO+H"	79.021207
"1012505"	310.103376	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2ACN+H"	83.060376
"1531726"	311.097008	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+IsoProp+Na+H"	84.054008
"995984"	155.555326	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+2ACN+2H"	84.067652
"1599234"	312.011628	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+K+HCOOH"	84.968628
"1424894"	342.043138	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+H+CF3COOH"	115.000138
"1152993"	176.068601	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+3ACN+2H"	125.094202
"1701457"	359.069685	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+NH4+CF3COOH"	132.026685
"1639295"	364.02508	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+Na+CF3COOH"	136.98208
"1580419"	379.99902	"C06047"	"Stizolobate;Stizolobic acid"	"C9H9NO6"	"227.043"	"M+K+CF3COOH"	152.95602
"803128"	227.043	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M"	0
"988691"	208.02461	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-H2O-H"	-19.01839
"73654"	150.354724	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M-3H"	-3.021828
"507747"	226.035724	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M-3H"	-3.021828
"885548"	74.673724	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-3H"	-3.021828
"4487"	226.035724	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M-2H"	-2.014552
"441497"	339.557224	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M-2H"	-2.014552
"817962"	112.514224	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-2H"	-2.014552
"83668"	453.078724	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M-H"	-1.007276
"526510"	680.121724	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M-H"	-1.007276
"901033"	226.035724	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-H"	-1.007276
"49939"	470.105271	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M-2H+NH4"	16.019271
"494966"	697.148271	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M-2H+NH4"	16.019271
"870581"	243.062271	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-2H+NH4"	16.019271
"43587"	475.060666	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M-2H+Na"	20.974666
"480231"	702.103666	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M-2H+Na"	20.974666
"859128"	248.017666	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-2H+Na"	20.974666
"1630851"	248.017666	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Na-2H"	20.974666
"105189"	244.024063	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M-H+Cl"	33.962126
"545842"	357.545563	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M-H+Cl"	33.962126
"930608"	130.502563	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-H+Cl"	33.962126
"269164"	489.055402	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+Cl"	34.969402
"663045"	716.098402	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+Cl"	34.969402
"1275084"	262.012402	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Cl"	34.969402
"17032"	491.034606	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M-2H+K"	36.948606
"459386"	718.077606	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M-2H+K"	36.948606
"835003"	263.991606	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-2H+K"	36.948606
"1556060"	263.991606	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+K-2H"	36.948606
"943700"	272.041194	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-H+HCOOH"	44.998194
"363130"	499.084201	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+HCOOH-H"	44.998201
"349565"	513.099851	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+Hac-H"	59.013851
"1495116"	286.056851	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Hac-H"	59.013851
"964845"	294.023151	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-H+NaCOOH"	66.980151
"114845"	262.012402	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+2Cl"	69.938804
"555500"	375.533902	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+2Cl"	69.938804
"1025030"	148.490902	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2Cl"	69.938804
"1245702"	305.961885	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Br"	78.918885
"1305961"	308.017872	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Cl+HCOOH"	80.974872
"1322002"	329.999829	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Cl+NaCOOH"	102.956829
"911371"	340.028586	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M-H+CF3COOH"	112.985586
"1288469"	376.005264	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Cl+CF3COOH"	148.962264
"1367205"	192.030324	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H-2H2O"	-35.012676
"1383039"	210.0403	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H-H2O"	-17.0027
"283006"	455.093276	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+H"	1.007276
"675669"	682.136276	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+H"	1.007276
"1351351"	228.050276	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H"	1.007276
"125806"	228.050276	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+2H"	2.014552
"565739"	341.571776	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+2H"	2.014552
"1038060"	114.528776	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2H"	2.014552
"206327"	152.369276	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+3H"	3.021828
"645157"	228.050276	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+3H"	3.021828
"1164742"	76.688276	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+3H"	3.021828
"425094"	472.119823	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+NH4"	18.033823
"787545"	699.162823	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+NH4"	18.033823
"1683874"	245.076823	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+NH4"	18.033823
"333979"	236.5635495	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+H+NH4"	19.041099
"726037"	350.0850495	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+H+NH4"	19.041099
"1478517"	123.0420495	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H+NH4"	19.041099
"398899"	477.075218	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+Na"	22.989218
"761716"	704.118218	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+Na"	22.989218
"1609815"	250.032218	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Na"	22.989218
"322038"	239.041247	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+H+Na"	23.996494
"708870"	352.562747	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+H+Na"	23.996494
"1463544"	125.519747	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H+Na"	23.996494
"1054000"	84.01559	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2H+Na"	25.00377
"1261026"	260.076486	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+CH3OH+H"	33.033486
"378143"	493.049158	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+K"	38.963158
"742059"	720.092158	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+K"	38.963158
"1542286"	266.006158	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+K"	38.963158
"300559"	247.028217	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+H+K"	39.970434
"695537"	360.549717	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+H+K"	39.970434
"1449360"	133.506717	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H+K"	39.970434
"248901"	496.119826	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+ACN+H"	42.033826
"1219422"	269.076826	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+ACN+H"	42.033826
"1200024"	135.042051	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+ACN+2H"	43.041102
"194355"	499.05716	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+2Na-H"	44.97116
"635742"	726.10016	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+2Na-H"	44.97116
"1138158"	272.01416	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2Na-H"	44.97116
"175613"	250.032218	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+2Na"	45.978436
"615174"	363.553718	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+2Na"	45.978436
"1117219"	136.510718	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2Na"	45.978436
"1401836"	91.342904	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H+2Na"	46.985712
"1434317"	274.055746	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H+HCOOH"	47.012746
"220972"	255.06524	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+3H2O+2H"	56.04448
"1509034"	288.10779	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+IsoProp+H"	61.06479
"409244"	258.019188	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+Na+K"	61.952376
"770236"	371.540688	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+Na+K"	61.952376
"1666081"	144.497688	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Na+K"	61.952376
"251529"	518.101768	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+ACN+Na"	64.015768
"1226120"	291.058768	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+ACN+Na"	64.015768
"1712858"	291.082293	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+NH4+HCOOH"	64.039293
"1178604"	98.670218	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+3Na"	68.967654
"1650626"	296.037688	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Na+HCOOH"	68.994688
"158952"	531.00504	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+2K-H"	76.91904
"600336"	758.04804	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+2K-H"	76.91904
"1087031"	303.96204	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2K-H"	76.91904
"144947"	266.006158	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"2M+2K"	77.926316
"585602"	379.527658	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"3M+2K"	77.926316
"1072300"	152.484658	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2K"	77.926316
"1104419"	305.976592	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2K+H"	78.933592
"1346276"	306.064207	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+DMSO+H"	79.021207
"1011521"	310.103376	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2ACN+H"	83.060376
"1534021"	311.097008	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+IsoProp+Na+H"	84.054008
"992814"	155.555326	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+2ACN+2H"	84.067652
"1594970"	312.011628	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+K+HCOOH"	84.968628
"1423909"	342.043138	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+H+CF3COOH"	115.000138
"1153103"	176.068601	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+3ACN+2H"	125.094202
"1699744"	359.069685	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+NH4+CF3COOH"	132.026685
"1636125"	364.02508	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+Na+CF3COOH"	136.98208
"1580529"	379.99902	"C06048"	"Stizolobinate;Stizolobinic acid"	"C9H9NO6"	"227.043"	"M+K+CF3COOH"	152.95602
"816363"	181.0375	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M"	0
"988802"	162.01911	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-H2O-H"	-19.01839
"78558"	119.684390666667	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M-3H"	-3.021828
"518477"	180.030224	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M-3H"	-3.021828
"891127"	59.3385573333333	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-3H"	-3.021828
"9703"	180.030224	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M-2H"	-2.014552
"448171"	270.548974	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M-2H"	-2.014552
"830347"	89.511474	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-2H"	-2.014552
"87058"	361.067724	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M-H"	-1.007276
"530992"	542.105224	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M-H"	-1.007276
"905513"	180.030224	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-H"	-1.007276
"57702"	378.094271	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M-2H+NH4"	16.019271
"495076"	559.131771	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M-2H+NH4"	16.019271
"865465"	197.056771	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-2H+NH4"	16.019271
"35312"	383.049666	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M-2H+Na"	20.974666
"478153"	564.087166	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M-2H+Na"	20.974666
"852678"	202.012166	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-2H+Na"	20.974666
"1628771"	202.012166	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Na-2H"	20.974666
"106393"	198.018563	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M-H+Cl"	33.962126
"538299"	288.537313	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M-H+Cl"	33.962126
"930718"	107.499813	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-H+Cl"	33.962126
"269397"	397.044402	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+Cl"	34.969402
"661332"	578.081902	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+Cl"	34.969402
"1273364"	216.006902	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Cl"	34.969402
"17021"	399.023606	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M-2H+K"	36.948606
"458402"	580.061106	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M-2H+K"	36.948606
"836205"	217.986106	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-2H+K"	36.948606
"1556049"	217.986106	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+K-2H"	36.948606
"943933"	226.035694	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-H+HCOOH"	44.998194
"362876"	407.073201	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+HCOOH-H"	44.998201
"347486"	421.088851	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+Hac-H"	59.013851
"1498506"	240.051351	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Hac-H"	59.013851
"964955"	248.017651	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-H+NaCOOH"	66.980151
"117143"	216.006902	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+2Cl"	69.938804
"555610"	306.525652	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+2Cl"	69.938804
"1026962"	125.488152	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2Cl"	69.938804
"1248727"	259.956385	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Br"	78.918885
"1306073"	262.012372	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Cl+HCOOH"	80.974872
"1320286"	283.994329	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Cl+NaCOOH"	102.956829
"911391"	294.023086	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M-H+CF3COOH"	112.985586
"1288787"	329.999764	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Cl+CF3COOH"	148.962264
"1367800"	146.024824	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H-2H2O"	-35.012676
"1383113"	164.0348	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H-H2O"	-17.0027
"283403"	363.082276	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+H"	1.007276
"676066"	544.119776	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+H"	1.007276
"1352060"	182.044776	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H"	1.007276
"125878"	182.044776	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+2H"	2.014552
"568281"	272.563526	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+2H"	2.014552
"1038538"	91.526026	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2H"	2.014552
"208262"	121.698942666667	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+3H"	3.021828
"646728"	182.044776	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+3H"	3.021828
"1168132"	61.3531093333333	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+3H"	3.021828
"424276"	380.108823	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+NH4"	18.033823
"786564"	561.146323	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+NH4"	18.033823
"1682530"	199.071323	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+NH4"	18.033823
"333725"	190.5580495	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+H+NH4"	19.041099
"728335"	281.0767995	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+H+NH4"	19.041099
"1477411"	100.0392995	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H+NH4"	19.041099
"398646"	385.064218	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+Na"	22.989218
"762920"	566.101718	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+Na"	22.989218
"1606647"	204.026718	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Na"	22.989218
"321056"	193.035747	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+H+Na"	23.996494
"707887"	283.554497	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+H+Na"	23.996494
"1462322"	102.516997	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H+Na"	23.996494
"1053623"	68.6804233333333	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2H+Na"	25.00377
"1260047"	214.070986	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+CH3OH+H"	33.033486
"382997"	401.038158	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+K"	38.963158
"745086"	582.075658	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+K"	38.963158
"1544954"	220.000658	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+K"	38.963158
"307604"	201.022717	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+H+K"	39.970434
"700025"	291.541467	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+H+K"	39.970434
"1458220"	110.503967	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H+K"	39.970434
"247918"	404.108826	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+ACN+H"	42.033826
"1221356"	223.071326	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+ACN+H"	42.033826
"1203417"	112.039301	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+ACN+2H"	43.041102
"195561"	407.04616	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+2Na-H"	44.97116
"640229"	588.08366	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+2Na-H"	44.97116
"1144465"	226.00866	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2Na-H"	44.97116
"185202"	204.026718	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+2Na"	45.978436
"614311"	294.545468	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+2Na"	45.978436
"1119518"	113.507968	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2Na"	45.978436
"1404498"	76.0077373333333	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H+2Na"	46.985712
"1436982"	228.050246	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H+HCOOH"	47.012746
"226676"	209.05974	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+3H2O+2H"	56.04448
"1510729"	242.10229	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+IsoProp+H"	61.06479
"417706"	212.013688	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+Na+K"	61.952376
"770315"	302.532438	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+Na+K"	61.952376
"1666281"	121.494938	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Na+K"	61.952376
"251825"	426.090768	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+ACN+Na"	64.015768
"1225779"	245.053268	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+ACN+Na"	64.015768
"1713169"	245.076793	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+NH4+HCOOH"	64.039293
"1180483"	83.3350513333333	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+3Na"	68.967654
"1652199"	250.032188	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Na+HCOOH"	68.994688
"160885"	438.99404	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+2K-H"	76.91904
"603726"	620.03154	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+2K-H"	76.91904
"1086051"	257.95654	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2K-H"	76.91904
"153808"	220.000658	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"2M+2K"	77.926316
"595434"	310.519408	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"3M+2K"	77.926316
"1080067"	129.481908	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2K"	77.926316
"1113644"	259.971092	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2K+H"	78.933592
"1347476"	260.058707	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+DMSO+H"	79.021207
"1016010"	264.097876	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2ACN+H"	83.060376
"1535228"	265.091508	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+IsoProp+Na+H"	84.054008
"1001675"	132.552576	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+2ACN+2H"	84.067652
"1595084"	266.006128	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+K+HCOOH"	84.968628
"1424021"	296.037638	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+H+CF3COOH"	115.000138
"1151032"	153.065851	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+3ACN+2H"	125.094202
"1701677"	313.064185	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+NH4+CF3COOH"	132.026685
"1648270"	318.01958	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+Na+CF3COOH"	136.98208
"1580640"	333.99352	"C06050"	"2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate"	"C8H7NO4"	"181.0375"	"M+K+CF3COOH"	152.95602
"801607"	167.0582	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M"	0
"986726"	148.03981	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"74967"	110.364857333333	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"511246"	166.050924	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"891237"	54.6787906666667	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"3252"	166.050924	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"443907"	249.580024	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"823896"	82.521824	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"80607"	333.109124	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"530009"	500.167324	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"904530"	166.050924	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"57812"	350.135671	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"495186"	517.193871	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"864359"	183.077471	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"34329"	355.091066	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"478263"	522.149266	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"857161"	188.032866	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1628881"	188.032866	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"103223"	184.039263	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"539502"	267.568363	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"929735"	100.510163	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"268778"	369.085802	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"661321"	536.144002	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1273191"	202.027602	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"16765"	371.065006	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"457418"	538.123206	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"837407"	204.006806	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1556157"	204.006806	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"945136"	212.056394	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"362986"	379.114601	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"347595"	393.130251	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1499710"	226.072051	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"966158"	234.038351	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"116159"	202.027602	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"554626"	285.556702	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1028895"	118.498502	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1248474"	245.977085	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1307277"	248.033072	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1320038"	270.015029	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"912920"	280.043786	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1289261"	316.020464	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1367262"	132.045524	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1382839"	150.0555	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"283878"	335.123676	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"675892"	502.181876	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1351466"	168.065476	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"125930"	168.065476	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"565983"	251.594576	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1037265"	84.536376	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"204628"	112.379409333333	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"644283"	168.065476	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1162847"	56.6933426666667	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"424700"	352.150223	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"786104"	519.208423	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1682276"	185.092023	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"330389"	176.5787495	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"723946"	260.1078495	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1477359"	93.0496495	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"393199"	357.105618	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"756468"	524.163818	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1603836"	190.047418	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"314964"	179.056447	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"707297"	262.585547	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1461488"	95.527347	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1052988"	64.0206566666667	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1260153"	200.091686	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"378731"	373.079558	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"746290"	540.137758	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1546157"	206.021358	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"308807"	187.043417	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"700135"	270.572517	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1456143"	103.514317	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"244749"	376.150226	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1221830"	209.092026	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1201340"	105.049651	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"194942"	379.08756	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"638153"	546.14576	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1142753"	212.02936	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"185312"	190.047418	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"613690"	273.576518	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1118900"	106.518318	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1401692"	71.3479706666667	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1439279"	214.070946	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"227879"	195.08044	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1511567"	228.12299	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"417816"	198.034388	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"770789"	281.563488	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1665697"	114.505288	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"251690"	398.132168	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1225895"	231.073968	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1712897"	231.097493	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1180229"	78.6752846666667	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1652309"	236.052888	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"159173"	411.03544	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"600557"	578.09364	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1088347"	243.97724	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"153918"	206.021358	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"594451"	289.550458	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1080177"	122.492258	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1112295"	245.991792	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1342118"	246.079407	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1017211"	250.118576	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1534245"	251.112208	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"1001785"	125.562926	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1596287"	252.026828	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1421944"	282.058338	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1148226"	146.076201	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1701787"	299.084885	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1649473"	304.04028	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1580750"	320.01422	"C06051"	"Isopyridoxal"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"802366"	165.0426	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M"	0
"985742"	146.02421	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-H2O-H"	-19.01839
"76170"	109.021124	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M-3H"	-3.021828
"511356"	164.035324	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M-3H"	-3.021828
"889160"	54.006924	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-3H"	-3.021828
"6642"	164.035324	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M-2H"	-2.014552
"444017"	246.556624	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M-2H"	-2.014552
"824006"	81.514024	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-2H"	-2.014552
"91290"	329.077924	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M-H"	-1.007276
"531217"	494.120524	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M-H"	-1.007276
"908287"	164.035324	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-H"	-1.007276
"56465"	346.104471	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M-2H+NH4"	16.019271
"498214"	511.147071	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M-2H+NH4"	16.019271
"866539"	181.061871	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-2H+NH4"	16.019271
"34439"	351.059866	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M-2H+Na"	20.974666
"478373"	516.102466	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M-2H+Na"	20.974666
"857271"	186.017266	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-2H+Na"	20.974666
"1627899"	186.017266	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Na-2H"	20.974666
"105886"	182.023663	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M-H+Cl"	33.962126
"537426"	264.544963	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M-H+Cl"	33.962126
"930211"	99.502363	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-H+Cl"	33.962126
"267201"	365.054602	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+Cl"	34.969402
"661309"	530.097202	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+Cl"	34.969402
"1274684"	200.012002	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Cl"	34.969402
"16997"	367.033806	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M-2H+K"	36.948606
"456920"	532.076406	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M-2H+K"	36.948606
"835330"	201.991206	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-2H+K"	36.948606
"1556636"	201.991206	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+K-2H"	36.948606
"947800"	210.040794	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-H+HCOOH"	44.998194
"366378"	375.083401	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+HCOOH-H"	44.998201
"350990"	389.099051	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+Hac-H"	59.013851
"1496541"	224.056451	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Hac-H"	59.013851
"962989"	232.022751	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-H+NaCOOH"	66.980151
"115176"	200.012002	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+2Cl"	69.938804
"556925"	282.533302	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+2Cl"	69.938804
"1025727"	117.490702	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2Cl"	69.938804
"1250771"	243.961485	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Br"	78.918885
"1308847"	246.017472	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Cl+HCOOH"	80.974872
"1319917"	267.999429	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Cl+NaCOOH"	102.956829
"912302"	278.028186	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M-H+CF3COOH"	112.985586
"1288518"	314.004864	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Cl+CF3COOH"	148.962264
"1367537"	130.029924	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H-2H2O"	-35.012676
"1382790"	148.0399	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H-H2O"	-17.0027
"283624"	331.092476	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+H"	1.007276
"675801"	496.135076	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+H"	1.007276
"1351498"	166.049876	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H"	1.007276
"125848"	166.049876	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+2H"	2.014552
"565743"	248.571176	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+2H"	2.014552
"1037775"	83.528576	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2H"	2.014552
"204582"	111.035676	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+3H"	3.021828
"644754"	166.049876	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+3H"	3.021828
"1162920"	56.021476	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+3H"	3.021828
"424934"	348.119023	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+NH4"	18.033823
"786779"	513.161623	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+NH4"	18.033823
"1682750"	183.076423	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+NH4"	18.033823
"331025"	174.5631495	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+H+NH4"	19.041099
"726731"	257.0844495	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+H+NH4"	19.041099
"1477631"	92.0418495	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H+NH4"	19.041099
"394854"	353.074418	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+Na"	22.989218
"757671"	518.117018	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+Na"	22.989218
"1605040"	188.031818	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Na"	22.989218
"317994"	177.040847	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+H+Na"	23.996494
"707489"	259.562147	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+H+Na"	23.996494
"1461641"	94.519547	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H+Na"	23.996494
"1053099"	63.34879	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2H+Na"	25.00377
"1259170"	198.076086	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+CH3OH+H"	33.033486
"377459"	369.048358	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+K"	38.963158
"749315"	534.090958	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+K"	38.963158
"1545171"	204.005758	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+K"	38.963158
"307823"	185.027817	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+H+K"	39.970434
"699151"	267.549117	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+H+K"	39.970434
"1456253"	102.506517	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H+K"	39.970434
"245949"	372.119026	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+ACN+H"	42.033826
"1218658"	207.076426	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+ACN+H"	42.033826
"1199262"	104.041851	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+ACN+2H"	43.041102
"195052"	375.05636	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+2Na-H"	44.97116
"639353"	540.09896	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+2Na-H"	44.97116
"1139580"	210.01376	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2Na-H"	44.97116
"185057"	188.031818	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+2Na"	45.978436
"614776"	270.553118	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+2Na"	45.978436
"1121559"	105.510518	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2Na"	45.978436
"1401802"	70.676104	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H+2Na"	46.985712
"1441574"	212.055346	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H+HCOOH"	47.012746
"224709"	193.06484	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+3H2O+2H"	56.04448
"1509854"	226.10739	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+IsoProp+H"	61.06479
"415738"	196.018788	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+Na+K"	61.952376
"772358"	278.540088	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+Na+K"	61.952376
"1669784"	113.497488	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Na+K"	61.952376
"251453"	394.100968	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+ACN+Na"	64.015768
"1225924"	229.058368	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+ACN+Na"	64.015768
"1713155"	229.081893	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+NH4+HCOOH"	64.039293
"1179975"	78.003418	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+3Na"	68.967654
"1654244"	234.037288	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Na+HCOOH"	68.994688
"161105"	407.00424	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+2K-H"	76.91904
"601760"	572.04684	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+2K-H"	76.91904
"1086271"	241.96164	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2K-H"	76.91904
"145280"	204.005758	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"2M+2K"	77.926316
"589214"	286.527058	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"3M+2K"	77.926316
"1078102"	121.484458	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2K"	77.926316
"1108030"	243.976192	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2K+H"	78.933592
"1346603"	244.063807	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+DMSO+H"	79.021207
"1017320"	248.102976	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2ACN+H"	83.060376
"1537271"	249.096608	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+IsoProp+Na+H"	84.054008
"1001896"	124.555126	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+2ACN+2H"	84.067652
"1596395"	250.011228	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+K+HCOOH"	84.968628
"1420962"	280.042738	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+H+CF3COOH"	115.000138
"1151252"	145.068401	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+3ACN+2H"	125.094202
"1705177"	297.069285	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+NH4+CF3COOH"	132.026685
"1649219"	302.02468	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+Na+CF3COOH"	136.98208
"1580860"	317.99862	"C06052"	"5-Pyridoxolactone"	"C8H7NO3"	"165.0426"	"M+K+CF3COOH"	152.95602
"802111"	213.9879	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M"	0
"986945"	194.96951	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-H2O-H"	-19.01839
"76280"	141.651324	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M-3H"	-3.021828
"515841"	212.980624	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M-3H"	-3.021828
"885991"	70.322024	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-3H"	-3.021828
"11127"	212.980624	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M-2H"	-2.014552
"449595"	319.974574	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M-2H"	-2.014552
"824116"	105.986674	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-2H"	-2.014552
"91036"	426.968524	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M-H"	-1.007276
"530234"	640.956424	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M-H"	-1.007276
"901472"	212.980624	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-H"	-1.007276
"58762"	443.995071	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M-2H+NH4"	16.019271
"498324"	657.982971	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M-2H+NH4"	16.019271
"866650"	230.007171	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-2H+NH4"	16.019271
"42204"	448.950466	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M-2H+Na"	20.974666
"483952"	662.938366	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M-2H+Na"	20.974666
"858475"	234.962566	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-2H+Na"	20.974666
"1630196"	234.962566	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Na-2H"	20.974666
"105997"	230.968963	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M-H+Cl"	33.962126
"539723"	337.962913	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M-H+Cl"	33.962126
"932144"	123.975013	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-H+Cl"	33.962126
"272159"	462.945202	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+Cl"	34.969402
"661296"	676.933102	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+Cl"	34.969402
"1275889"	248.957302	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Cl"	34.969402
"16617"	464.924406	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M-2H+K"	36.948606
"458002"	678.912306	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M-2H+K"	36.948606
"834102"	250.936506	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-2H+K"	36.948606
"1556740"	250.936506	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+K-2H"	36.948606
"946448"	258.986094	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-H+HCOOH"	44.998194
"363934"	472.974001	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+HCOOH-H"	44.998201
"349278"	486.989651	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+Hac-H"	59.013851
"1497016"	273.001751	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Hac-H"	59.013851
"962370"	280.968051	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-H+NaCOOH"	66.980151
"114556"	248.957302	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+2Cl"	69.938804
"554847"	355.951252	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+2Cl"	69.938804
"1026199"	141.963352	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2Cl"	69.938804
"1248694"	292.906785	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Br"	78.918885
"1307133"	294.962772	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Cl+HCOOH"	80.974872
"1320988"	316.944729	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Cl+NaCOOH"	102.956829
"914236"	326.973486	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M-H+CF3COOH"	112.985586
"1290211"	362.950164	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Cl+CF3COOH"	148.962264
"1368736"	178.975224	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H-2H2O"	-35.012676
"1383802"	196.9852	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H-H2O"	-17.0027
"284827"	428.983076	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+H"	1.007276
"677252"	642.970976	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+H"	1.007276
"1351903"	214.995176	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H"	1.007276
"126861"	214.995176	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+2H"	2.014552
"566172"	321.989126	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+2H"	2.014552
"1037887"	108.001226	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2H"	2.014552
"204456"	143.665876	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+3H"	3.021828
"645233"	214.995176	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+3H"	3.021828
"1163480"	72.336576	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+3H"	3.021828
"425170"	446.009623	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+NH4"	18.033823
"786646"	659.997523	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+NH4"	18.033823
"1683589"	232.021723	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+NH4"	18.033823
"331503"	223.5084495	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+H+NH4"	19.041099
"728664"	330.5023995	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+H+NH4"	19.041099
"1483576"	116.5144995	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H+NH4"	19.041099
"398246"	450.965018	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+Na"	22.989218
"763249"	664.952918	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+Na"	22.989218
"1610255"	236.977118	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Na"	22.989218
"319198"	225.986147	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+H+Na"	23.996494
"709435"	332.980097	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+H+Na"	23.996494
"1462769"	118.992197	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H+Na"	23.996494
"1053014"	79.66389	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2H+Na"	25.00377
"1261467"	247.021386	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+CH3OH+H"	33.033486
"380042"	466.938958	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+K"	38.963158
"745414"	680.926858	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+K"	38.963158
"1545281"	252.951058	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+K"	38.963158
"303557"	233.973117	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+H+K"	39.970434
"698161"	340.967067	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+H+K"	39.970434
"1453083"	126.979167	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H+K"	39.970434
"244966"	470.009626	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+ACN+H"	42.033826
"1217674"	256.021726	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+ACN+H"	42.033826
"1200465"	128.514501	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+ACN+2H"	43.041102
"195891"	472.94696	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+2Na-H"	44.97116
"635452"	686.93486	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+2Na-H"	44.97116
"1140782"	258.95906	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2Na-H"	44.97116
"184072"	236.977118	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+2Na"	45.978436
"614886"	343.971068	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+2Na"	45.978436
"1121669"	129.983168	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2Na"	45.978436
"1401912"	86.991204	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H+2Na"	46.985712
"1436217"	261.000646	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H+HCOOH"	47.012746
"221294"	242.01014	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+3H2O+2H"	56.04448
"1509721"	275.05269	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+IsoProp+H"	61.06479
"411109"	244.964088	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+Na+K"	61.952376
"773563"	351.958038	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+Na+K"	61.952376
"1669894"	137.970138	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Na+K"	61.952376
"251996"	491.991568	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+ACN+Na"	64.015768
"1226244"	278.003668	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+ACN+Na"	64.015768
"1712934"	278.027193	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+NH4+HCOOH"	64.039293
"1179354"	94.318518	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+3Na"	68.967654
"1652168"	282.982588	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Na+HCOOH"	68.994688
"159029"	504.89484	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+2K-H"	76.91904
"600777"	718.88274	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+2K-H"	76.91904
"1086016"	290.90694	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2K-H"	76.91904
"145754"	252.951058	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"2M+2K"	77.926316
"589324"	359.945008	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"3M+2K"	77.926316
"1076025"	145.957108	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2K"	77.926316
"1103766"	292.921492	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2K+H"	78.933592
"1347442"	293.009107	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+DMSO+H"	79.021207
"1016337"	297.048276	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2ACN+H"	83.060376
"1535558"	298.041908	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+IsoProp+Na+H"	84.054008
"998728"	149.027776	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+2ACN+2H"	84.067652
"1598694"	298.956528	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+K+HCOOH"	84.968628
"1422168"	328.988038	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+H+CF3COOH"	115.000138
"1154642"	169.541051	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+3ACN+2H"	125.094202
"1703100"	346.014585	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+NH4+CF3COOH"	132.026685
"1648600"	350.96998	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+Na+CF3COOH"	136.98208
"1580970"	366.94392	"C06054"	"2-Oxo-3-hydroxy-4-phosphobutanoate;alpha-Keto-3-hydroxy-4-phosphobutyrate;(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate"	"C4H7O8P"	"213.9879"	"M+K+CF3COOH"	152.95602
"801640"	215.0195	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M"	0
"984868"	196.00111	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-H2O-H"	-19.01839
"73110"	142.339057333333	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M-3H"	-3.021828
"515951"	214.012224	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M-3H"	-3.021828
"886101"	70.6658906666667	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-3H"	-3.021828
"9050"	214.012224	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M-2H"	-2.014552
"446426"	321.521974	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M-2H"	-2.014552
"823133"	106.502474	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-2H"	-2.014552
"92968"	429.031724	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M-H"	-1.007276
"532894"	644.051224	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M-H"	-1.007276
"900489"	214.012224	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-H"	-1.007276
"57051"	446.058271	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M-2H+NH4"	16.019271
"499528"	661.077771	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M-2H+NH4"	16.019271
"870041"	231.038771	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-2H+NH4"	16.019271
"44503"	451.013666	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M-2H+Na"	20.974666
"483335"	666.033166	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M-2H+Na"	20.974666
"858586"	235.994166	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-2H+Na"	20.974666
"1627027"	235.994166	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Na-2H"	20.974666
"104649"	232.000563	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M-H+Cl"	33.962126
"539833"	339.510313	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M-H+Cl"	33.962126
"931525"	124.490813	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-H+Cl"	33.962126
"271540"	465.008402	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+Cl"	34.969402
"661032"	680.027902	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+Cl"	34.969402
"1273688"	249.988902	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Cl"	34.969402
"16605"	466.987606	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M-2H+K"	36.948606
"457017"	682.007106	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M-2H+K"	36.948606
"834334"	251.968106	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-2H+K"	36.948606
"1557578"	251.968106	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+K-2H"	36.948606
"944491"	260.017694	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-H+HCOOH"	44.998194
"364042"	475.037201	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+HCOOH-H"	44.998201
"348295"	489.052851	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+Hac-H"	59.013851
"1497855"	274.033351	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Hac-H"	59.013851
"961751"	281.999651	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-H+NaCOOH"	66.980151
"117582"	249.988902	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+2Cl"	69.938804
"557506"	357.498652	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+2Cl"	69.938804
"1027403"	142.479152	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2Cl"	69.938804
"1247711"	293.938385	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Br"	78.918885
"1309795"	295.994372	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Cl+HCOOH"	80.974872
"1321829"	317.976329	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Cl+NaCOOH"	102.956829
"913253"	328.005086	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M-H+CF3COOH"	112.985586
"1289347"	363.981764	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Cl+CF3COOH"	148.962264
"1367551"	180.006824	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H-2H2O"	-35.012676
"1383020"	198.0168	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H-H2O"	-17.0027
"283480"	431.046276	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+H"	1.007276
"676265"	646.065776	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+H"	1.007276
"1354444"	216.026776	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H"	1.007276
"130252"	216.026776	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+2H"	2.014552
"566163"	323.536526	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+2H"	2.014552
"1037150"	108.517026	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2H"	2.014552
"205296"	144.353609333333	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+3H"	3.021828
"646074"	216.026776	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+3H"	3.021828
"1163590"	72.6804426666667	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+3H"	3.021828
"424795"	448.072823	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+NH4"	18.033823
"787370"	663.092323	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+NH4"	18.033823
"1684794"	233.053323	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+NH4"	18.033823
"333072"	224.5400495	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+H+NH4"	19.041099
"727681"	332.0497995	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+H+NH4"	19.041099
"1482594"	117.0302995	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H+NH4"	19.041099
"402365"	453.028218	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+Na"	22.989218
"765547"	668.047718	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+Na"	22.989218
"1607085"	238.008718	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Na"	22.989218
"317121"	227.017747	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+H+Na"	23.996494
"708451"	334.527497	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+H+Na"	23.996494
"1463367"	119.507997	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H+Na"	23.996494
"1054428"	80.0077566666667	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2H+Na"	25.00377
"1259755"	248.052986	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+CH3OH+H"	33.033486
"380516"	469.002158	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+K"	38.963158
"742244"	684.021658	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+K"	38.963158
"1542112"	253.982658	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+K"	38.963158
"304758"	235.004717	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+H+K"	39.970434
"694992"	342.514467	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+H+K"	39.970434
"1453192"	127.494967	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H+K"	39.970434
"245076"	472.072826	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+ACN+H"	42.033826
"1218878"	257.053326	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+ACN+H"	42.033826
"1196202"	129.030301	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+ACN+2H"	43.041102
"195632"	475.01016	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+2Na-H"	44.97116
"634832"	690.02966	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+2Na-H"	44.97116
"1141985"	259.99066	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2Na-H"	44.97116
"181266"	238.008718	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+2Na"	45.978436
"613533"	345.518468	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+2Na"	45.978436
"1119592"	130.498968	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2Na"	45.978436
"1402023"	87.3350706666667	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H+2Na"	46.985712
"1435233"	262.032246	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H+HCOOH"	47.012746
"220187"	243.04174	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+3H2O+2H"	56.04448
"1508853"	276.08429	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+IsoProp+H"	61.06479
"408660"	245.995688	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+Na+K"	61.952376
"770349"	353.505438	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+Na+K"	61.952376
"1666845"	138.485938	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Na+K"	61.952376
"251500"	494.054768	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+ACN+Na"	64.015768
"1226186"	279.035268	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+ACN+Na"	64.015768
"1712817"	279.058793	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+NH4+HCOOH"	64.039293
"1178816"	94.6623846666667	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+3Na"	68.967654
"1651184"	284.014188	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Na+HCOOH"	68.994688
"157680"	506.95804	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+2K-H"	76.91904
"599063"	721.97754	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+2K-H"	76.91904
"1085033"	291.93854	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2K-H"	76.91904
"145500"	253.982658	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"2M+2K"	77.926316
"586154"	361.492408	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"3M+2K"	77.926316
"1075042"	146.472908	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2K"	77.926316
"1102782"	293.953092	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2K+H"	78.933592
"1345368"	294.040707	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+DMSO+H"	79.021207
"1010978"	298.079876	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2ACN+H"	83.060376
"1534575"	299.073508	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+IsoProp+Na+H"	84.054008
"1002115"	149.543576	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+2ACN+2H"	84.067652
"1596616"	299.988128	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+K+HCOOH"	84.968628
"1422278"	330.019638	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+H+CF3COOH"	115.000138
"1151472"	170.056851	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+3ACN+2H"	125.094202
"1705397"	347.046185	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+NH4+CF3COOH"	132.026685
"1648710"	352.00158	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+Na+CF3COOH"	136.98208
"1581080"	367.97552	"C06055"	"O-Phospho-4-hydroxy-L-threonine;4-(Phosphonooxy)-threonine;4-(Phosphonooxy)-L-threonine"	"C4H10NO7P"	"215.0195"	"M+K+CF3COOH"	152.95602
"805976"	135.0532	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M"	0
"983886"	116.03481	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-H2O-H"	-19.01839
"76502"	89.0281906666667	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M-3H"	-3.021828
"511689"	134.045924	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M-3H"	-3.021828
"882931"	44.0104573333333	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-3H"	-3.021828
"4786"	134.045924	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M-2H"	-2.014552
"450912"	201.572524	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M-2H"	-2.014552
"826526"	66.519324	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-2H"	-2.014552
"88708"	269.099124	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M-H"	-1.007276
"526081"	404.152324	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M-H"	-1.007276
"906070"	134.045924	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-H"	-1.007276
"52788"	286.125671	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M-2H+NH4"	16.019271
"497817"	421.178871	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M-2H+NH4"	16.019271
"872338"	151.072471	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-2H+NH4"	16.019271
"39147"	291.081066	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M-2H+Na"	20.974666
"480894"	426.134266	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M-2H+Na"	20.974666
"857603"	156.027866	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-2H+Na"	20.974666
"1628230"	156.027866	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Na-2H"	20.974666
"105852"	152.034263	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M-H+Cl"	33.962126
"537027"	219.560863	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M-H+Cl"	33.962126
"932364"	84.507663	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-H+Cl"	33.962126
"272015"	305.075802	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+Cl"	34.969402
"662613"	440.129002	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+Cl"	34.969402
"1273549"	170.022602	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Cl"	34.969402
"17321"	307.055006	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M-2H+K"	36.948606
"457853"	442.108206	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M-2H+K"	36.948606
"835292"	172.001806	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-2H+K"	36.948606
"1557687"	172.001806	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+K-2H"	36.948606
"945205"	180.051394	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-H+HCOOH"	44.998194
"364151"	315.104601	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+HCOOH-H"	44.998201
"348035"	329.120251	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+Hac-H"	59.013851
"1495046"	194.067051	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Hac-H"	59.013851
"964412"	202.033351	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-H+NaCOOH"	66.980151
"115508"	170.022602	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+2Cl"	69.938804
"553607"	237.549202	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+2Cl"	69.938804
"1027875"	102.496002	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2Cl"	69.938804
"1248914"	213.972085	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Br"	78.918885
"1310271"	216.028072	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Cl+HCOOH"	80.974872
"1321210"	238.010029	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Cl+NaCOOH"	102.956829
"912025"	248.038786	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M-H+CF3COOH"	112.985586
"1291166"	284.015464	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Cl+CF3COOH"	148.962264
"1368597"	100.040524	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H-2H2O"	-35.012676
"1384267"	118.0505	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H-H2O"	-17.0027
"287968"	271.113676	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+H"	1.007276
"680755"	406.166876	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+H"	1.007276
"1355286"	136.060476	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H"	1.007276
"127081"	136.060476	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+2H"	2.014552
"571016"	203.587076	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+2H"	2.014552
"1043095"	68.533876	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2H"	2.014552
"205154"	91.0427426666667	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+3H"	3.021828
"644839"	136.060476	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+3H"	3.021828
"1163819"	46.0250093333333	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+3H"	3.021828
"425511"	288.140223	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+NH4"	18.033823
"789667"	423.193423	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+NH4"	18.033823
"1682350"	153.087023	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+NH4"	18.033823
"333546"	144.5737495	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+H+NH4"	19.041099
"727791"	212.1003495	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+H+NH4"	19.041099
"1485983"	77.0471495	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H+NH4"	19.041099
"402476"	293.095618	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+Na"	22.989218
"760192"	428.148818	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+Na"	22.989218
"1606102"	158.042418	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Na"	22.989218
"314799"	147.051447	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+H+Na"	23.996494
"708928"	214.578047	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+H+Na"	23.996494
"1466762"	79.524847	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H+Na"	23.996494
"1055633"	53.3523233333333	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2H+Na"	25.00377
"1259134"	168.086686	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+CH3OH+H"	33.033486
"380625"	309.069558	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+K"	38.963158
"739676"	444.122758	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+K"	38.963158
"1541487"	174.016358	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+K"	38.963158
"302682"	155.038417	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+H+K"	39.970434
"694010"	222.565017	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+H+K"	39.970434
"1455491"	87.511817	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H+K"	39.970434
"243000"	312.140226	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+ACN+H"	42.033826
"1220083"	177.087026	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+ACN+H"	42.033826
"1201778"	89.047151	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+ACN+2H"	43.041102
"189550"	315.07756	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+2Na-H"	44.97116
"634214"	450.13076	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+2Na-H"	44.97116
"1142095"	180.02436	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2Na-H"	44.97116
"182104"	158.042418	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+2Na"	45.978436
"616566"	225.569018	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+2Na"	45.978436
"1120796"	90.515818	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2Na"	45.978436
"1402133"	60.6796373333333	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H+2Na"	46.985712
"1431939"	182.065946	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H+HCOOH"	47.012746
"220903"	163.07544	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+3H2O+2H"	56.04448
"1509453"	196.11799	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+IsoProp+H"	61.06479
"409505"	166.029388	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+Na+K"	61.952376
"771229"	233.555988	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+Na+K"	61.952376
"1666261"	98.502788	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Na+K"	61.952376
"252255"	334.122168	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+ACN+Na"	64.015768
"1226540"	199.068968	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+ACN+Na"	64.015768
"1715303"	199.092493	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+NH4+HCOOH"	64.039293
"1185777"	68.0069513333333	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+3Na"	68.967654
"1652755"	204.047888	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Na+HCOOH"	68.994688
"162532"	347.02544	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+2K-H"	76.91904
"606467"	482.07864	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+2K-H"	76.91904
"1088792"	211.97224	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2K-H"	76.91904
"142449"	174.016358	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"2M+2K"	77.926316
"586264"	241.542958	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"3M+2K"	77.926316
"1076245"	106.489758	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2K"	77.926316
"1106173"	213.986792	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2K+H"	78.933592
"1344750"	214.074407	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+DMSO+H"	79.021207
"1015464"	218.113576	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2ACN+H"	83.060376
"1534685"	219.107208	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+IsoProp+Na+H"	84.054008
"1002226"	109.560426	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+2ACN+2H"	84.067652
"1598914"	220.021828	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+K+HCOOH"	84.968628
"1422388"	250.053338	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+H+CF3COOH"	115.000138
"1151583"	130.073701	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+3ACN+2H"	125.094202
"1705507"	267.079885	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+NH4+CF3COOH"	132.026685
"1636790"	272.03528	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+Na+CF3COOH"	136.98208
"1581190"	288.00922	"C06056"	"4-Hydroxy-L-threonine;Hydroxythreonine"	"C4H9NO4"	"135.0532"	"M+K+CF3COOH"	152.95602
"802806"	91.0633	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M"	0
"981809"	72.04491	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-H2O-H"	-19.01839
"73332"	59.7015906666667	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M-3H"	-3.021828
"508519"	90.056024	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M-3H"	-3.021828
"883041"	29.3471573333333	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-3H"	-3.021828
"3803"	90.056024	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M-2H"	-2.014552
"453208"	135.587674	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M-2H"	-2.014552
"827729"	44.524374	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-2H"	-2.014552
"91004"	181.119324	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M-H"	-1.007276
"527284"	272.182624	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M-H"	-1.007276
"905087"	90.056024	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-H"	-1.007276
"56178"	198.145871	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M-2H+NH4"	16.019271
"497563"	289.209171	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M-2H+NH4"	16.019271
"870262"	107.082571	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-2H+NH4"	16.019271
"40351"	203.101266	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M-2H+Na"	20.974666
"478817"	294.164566	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M-2H+Na"	20.974666
"856620"	112.037966	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-2H+Na"	20.974666
"1628340"	112.037966	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Na-2H"	20.974666
"102682"	108.044363	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M-H+Cl"	33.962126
"537137"	153.576013	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M-H+Cl"	33.962126
"932473"	62.512713	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-H+Cl"	33.962126
"267334"	217.096002	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+Cl"	34.969402
"660408"	308.159302	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+Cl"	34.969402
"1273051"	126.032702	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Cl"	34.969402
"16093"	219.075206	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M-2H+K"	36.948606
"456022"	310.138506	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M-2H+K"	36.948606
"833581"	128.011906	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-2H+K"	36.948606
"1556583"	128.011906	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+K-2H"	36.948606
"945318"	136.061494	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-H+HCOOH"	44.998194
"363044"	227.124801	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+HCOOH-H"	44.998201
"348145"	241.140451	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+Hac-H"	59.013851
"1495156"	150.077151	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Hac-H"	59.013851
"961967"	158.043451	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-H+NaCOOH"	66.980151
"115981"	126.032702	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+2Cl"	69.938804
"552989"	171.564352	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+2Cl"	69.938804
"1028351"	80.501052	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2Cl"	69.938804
"1250117"	169.982185	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Br"	78.918885
"1310745"	172.038172	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Cl+HCOOH"	80.974872
"1321684"	194.020129	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Cl+NaCOOH"	102.956829
"912500"	204.048886	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M-H+CF3COOH"	112.985586
"1289453"	240.025564	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Cl+CF3COOH"	148.962264
"1369071"	56.050624	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H-2H2O"	-35.012676
"1384014"	74.0606	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H-H2O"	-17.0027
"285527"	183.133876	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+H"	1.007276
"678678"	274.197176	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+H"	1.007276
"1355396"	92.070576	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H"	1.007276
"127187"	92.070576	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+2H"	2.014552
"567114"	137.602226	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+2H"	2.014552
"1041018"	46.538926	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2H"	2.014552
"205148"	61.7161426666667	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+3H"	3.021828
"644467"	92.070576	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+3H"	3.021828
"1163444"	31.3617093333333	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+3H"	3.021828
"425864"	200.160423	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+NH4"	18.033823
"787954"	291.223723	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+NH4"	18.033823
"1681300"	109.097123	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+NH4"	18.033823
"333657"	100.5838495	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+H+NH4"	19.041099
"730088"	146.1154995	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+H+NH4"	19.041099
"1487186"	55.0521995	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H+NH4"	19.041099
"403681"	205.115818	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+Na"	22.989218
"759208"	296.179118	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+Na"	22.989218
"1606212"	114.052518	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Na"	22.989218
"314831"	103.061547	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+H+Na"	23.996494
"708309"	148.593197	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+H+Na"	23.996494
"1466872"	57.529897	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H+Na"	23.996494
"1057930"	38.6890233333333	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2H+Na"	25.00377
"1262162"	124.096786	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+CH3OH+H"	33.033486
"378181"	221.089758	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+K"	38.963158
"740271"	312.153058	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+K"	38.963158
"1541230"	130.026458	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+K"	38.963158
"300228"	111.048517	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+H+K"	39.970434
"692291"	156.580167	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+H+K"	39.970434
"1445990"	65.516867	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H+K"	39.970434
"249673"	224.160426	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+ACN+H"	42.033826
"1223108"	133.097126	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+ACN+H"	42.033826
"1205168"	67.052201	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+ACN+2H"	43.041102
"189414"	227.09776	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+2Na-H"	44.97116
"631408"	318.16106	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+2Na-H"	44.97116
"1143298"	136.03446	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2Na-H"	44.97116
"178934"	114.052518	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+2Na"	45.978436
"614488"	159.584168	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+2Na"	45.978436
"1117504"	68.520868	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2Na"	45.978436
"1403337"	46.0163373333333	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H+2Na"	46.985712
"1432171"	138.076046	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H+HCOOH"	47.012746
"220770"	119.08554	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+3H2O+2H"	56.04448
"1510294"	152.12809	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+IsoProp+H"	61.06479
"410222"	122.039488	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+Na+K"	61.952376
"771097"	167.571138	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+Na+K"	61.952376
"1667549"	76.507838	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Na+K"	61.952376
"252487"	246.142368	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+ACN+Na"	64.015768
"1226125"	155.079068	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+ACN+Na"	64.015768
"1714080"	155.102593	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+NH4+HCOOH"	64.039293
"1183700"	53.3436513333333	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+3Na"	68.967654
"1654687"	160.057988	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Na+HCOOH"	68.994688
"162642"	259.04564	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+2K-H"	76.91904
"606577"	350.10894	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+2K-H"	76.91904
"1088902"	167.98234	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2K-H"	76.91904
"143163"	130.026458	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"2M+2K"	77.926316
"586374"	175.558108	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"3M+2K"	77.926316
"1074166"	84.494808	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2K"	77.926316
"1106283"	169.996892	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2K+H"	78.933592
"1346681"	170.084507	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+DMSO+H"	79.021207
"1013388"	174.123676	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2ACN+H"	83.060376
"1533702"	175.117308	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+IsoProp+Na+H"	84.054008
"1001239"	87.565476	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+2ACN+2H"	84.067652
"1598659"	176.031928	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+K+HCOOH"	84.968628
"1421405"	206.063438	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+H+CF3COOH"	115.000138
"1151693"	108.078751	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+3ACN+2H"	125.094202
"1705617"	223.089985	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+NH4+CF3COOH"	132.026685
"1636900"	228.04538	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+Na+CF3COOH"	136.98208
"1581300"	244.01932	"C06057"	"3-Aminopropane-12-diol;(R)-3-Amino-12-propanediol"	"C3H9NO2"	"91.0633"	"M+K+CF3COOH"	152.95602
"811668"	184.1099	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M"	0
"988484"	165.09151	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"75633"	121.732657333333	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"517381"	183.102624	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"886434"	60.3626906666667	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"999"	183.102624	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"441651"	275.157574	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"820549"	91.047674	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"81634"	367.212524	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"526298"	551.322424	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"905193"	183.102624	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"54102"	384.239071	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"493661"	568.348971	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"870372"	200.129171	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"36083"	389.194466	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"474554"	573.304366	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"854543"	205.084566	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1626265"	205.084566	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"100607"	201.090963	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"535306"	293.145913	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"927601"	109.036013	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"267263"	403.189202	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"660105"	587.299102	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1273077"	219.079302	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"16280"	405.168406	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"456623"	589.278306	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"833088"	221.058506	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1556453"	221.058506	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"943970"	229.108094	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"362912"	413.218001	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"346798"	427.233651	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1495630"	243.123751	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"959890"	251.090051	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"110082"	219.079302	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"551649"	311.134252	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1029567"	127.024352	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1244039"	263.028785	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1307215"	265.084772	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1323621"	287.066729	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"919056"	297.095486	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1300138"	333.072164	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1368825"	149.097224	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1385960"	167.1072	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"283821"	369.227076	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"678065"	553.336976	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1354415"	185.117176	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"128395"	185.117176	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"569049"	277.172126	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1042221"	93.062226	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"206841"	123.747209333333	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"644945"	185.117176	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1164163"	62.3772426666667	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"427800"	386.253623	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"788793"	570.363523	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1684030"	202.143723	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"339962"	193.6304495	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"725823"	285.6853995	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1477453"	101.5754995	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"393830"	391.209018	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"754294"	575.318918	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1604141"	207.099118	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"319649"	196.108147	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"710248"	288.163097	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1462610"	104.053197	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1053179"	69.7045566666667	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1257535"	217.143386	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"381584"	407.182958	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"741848"	591.292858	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1547922"	223.073058	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"307282"	204.095117	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"698609"	296.150067	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1449151"	112.040167	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"237755"	410.253626	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1211558"	226.143726	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1197631"	113.575501	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"193419"	413.19096	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"631519"	597.30086	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1134295"	229.08106	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"174303"	207.099118	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"615322"	299.154068	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1119924"	115.044168	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1401988"	77.0318706666667	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1431550"	231.122646	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"229632"	212.13214	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1509429"	245.17469	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"410090"	215.086088	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"771082"	307.141038	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1667049"	123.031138	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"256859"	432.235568	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1225685"	248.125668	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1713018"	248.149193	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1180528"	84.3591846666667	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1651268"	253.104588	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"158500"	445.13884	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"600856"	629.24874	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1087922"	261.02894	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"142915"	223.073058	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"582067"	315.128008	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1069537"	131.018108	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1106397"	263.043492	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1341687"	263.131107	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1008030"	267.170276	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1527249"	268.163908	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"993700"	134.088776	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1587834"	269.078528	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1414710"	299.110038	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1147184"	154.602051	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1698444"	316.136585	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1638108"	321.09198	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1581414"	337.06592	"C06066"	"45-Dihydro-55-dimethyl-4-(3-oxobutyl)furan-2(3H)-one"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"811778"	272.1525	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M"	0
"988473"	253.13411	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-H2O-H"	-19.01839
"74650"	180.427724	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M-3H"	-3.021828
"515306"	271.145224	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M-3H"	-3.021828
"890919"	89.710224	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-3H"	-3.021828
"10589"	271.145224	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H"	-2.014552
"447960"	407.221474	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H"	-2.014552
"822482"	135.068974	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-2H"	-2.014552
"81380"	543.297724	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M-H"	-1.007276
"526410"	815.450224	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M-H"	-1.007276
"904212"	271.145224	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-H"	-1.007276
"54215"	560.324271	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+NH4"	16.019271
"493775"	832.476771	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+NH4"	16.019271
"870485"	288.171771	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+NH4"	16.019271
"41665"	565.279666	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+Na"	20.974666
"477945"	837.432166	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+Na"	20.974666
"854654"	293.127166	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+Na"	20.974666
"1626375"	293.127166	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Na-2H"	20.974666
"99624"	289.133563	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M-H+Cl"	33.962126
"534810"	425.209813	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M-H+Cl"	33.962126
"927508"	153.057313	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-H+Cl"	33.962126
"268700"	579.274402	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+Cl"	34.969402
"660054"	851.426902	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+Cl"	34.969402
"1272771"	307.121902	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl"	34.969402
"18631"	581.253606	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+K"	36.948606
"457098"	853.406106	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+K"	36.948606
"832920"	309.101106	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+K"	36.948606
"1556565"	309.101106	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+K-2H"	36.948606
"946270"	317.150694	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-H+HCOOH"	44.998194
"362054"	589.303201	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+HCOOH-H"	44.998201
"349098"	603.318851	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+Hac-H"	59.013851
"1497930"	331.166351	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Hac-H"	59.013851
"961097"	339.132651	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-H+NaCOOH"	66.980151
"110060"	307.121902	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Cl"	69.938804
"551759"	443.198152	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Cl"	69.938804
"1029677"	171.045652	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2Cl"	69.938804
"1242692"	351.071385	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Br"	78.918885
"1307693"	353.127372	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+HCOOH"	80.974872
"1327011"	375.109329	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+NaCOOH"	102.956829
"924634"	385.138086	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M-H+CF3COOH"	112.985586
"1303858"	421.114764	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+CF3COOH"	148.962264
"1368572"	237.139824	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H-2H2O"	-35.012676
"1387160"	255.1498	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H-H2O"	-17.0027
"286845"	545.312276	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+H"	1.007276
"676715"	817.464776	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+H"	1.007276
"1354523"	273.159776	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H"	1.007276
"126319"	273.159776	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+2H"	2.014552
"567336"	409.236026	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+2H"	2.014552
"1040144"	137.083526	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2H"	2.014552
"205861"	182.442276	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+3H"	3.021828
"646514"	273.159776	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+3H"	3.021828
"1166822"	91.724776	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+3H"	3.021828
"426817"	562.338823	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+NH4"	18.033823
"791090"	834.491323	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+NH4"	18.033823
"1688513"	290.186323	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4"	18.033823
"335698"	281.6730495	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+NH4"	19.041099
"723742"	417.7492995	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+NH4"	19.041099
"1477443"	145.5967995	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H+NH4"	19.041099
"393699"	567.294218	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+Na"	22.989218
"755300"	839.446718	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+Na"	22.989218
"1604006"	295.141718	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Na"	22.989218
"315133"	284.150747	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+Na"	23.996494
"711086"	420.226997	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+Na"	23.996494
"1464906"	148.074497	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H+Na"	23.996494
"1054507"	99.05209	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2H+Na"	25.00377
"1258008"	305.185986	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+CH3OH+H"	33.033486
"378532"	583.268158	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+K"	38.963158
"741226"	855.420658	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+K"	38.963158
"1546939"	311.115658	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+K"	38.963158
"306299"	292.137717	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+K"	39.970434
"695439"	428.213967	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+K"	39.970434
"1445979"	156.061467	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H+K"	39.970434
"236772"	586.338826	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+ACN+H"	42.033826
"1211668"	314.186326	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+H"	42.033826
"1199929"	157.596801	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+2H"	43.041102
"194988"	589.27616	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Na-H"	44.97116
"630171"	861.42866	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Na-H"	44.97116
"1132946"	317.12366	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2Na-H"	44.97116
"174784"	295.141718	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Na"	45.978436
"615798"	431.217968	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Na"	45.978436
"1123314"	159.065468	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2Na"	45.978436
"1403558"	106.379404	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H+2Na"	46.985712
"1430568"	319.165246	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H+HCOOH"	47.012746
"228649"	300.17474	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+3H2O+2H"	56.04448
"1509419"	333.21729	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+IsoProp+H"	61.06479
"410200"	303.128688	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+Na+K"	61.952376
"771557"	439.204938	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+Na+K"	61.952376
"1666794"	167.052438	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+K"	61.952376
"256969"	608.320768	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+ACN+Na"	64.015768
"1226030"	336.168268	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+Na"	64.015768
"1713702"	336.191793	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4+HCOOH"	64.039293
"1186107"	113.706718	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+3Na"	68.967654
"1651624"	341.147188	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+HCOOH"	68.994688
"158487"	621.22404	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+2K-H"	76.91904
"598049"	893.37654	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+2K-H"	76.91904
"1085479"	349.07154	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2K-H"	76.91904
"145940"	311.115658	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"2M+2K"	77.926316
"586593"	447.191908	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"3M+2K"	77.926316
"1070013"	175.039408	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2K"	77.926316
"1106506"	351.086092	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2K+H"	78.933592
"1339610"	351.173707	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+DMSO+H"	79.021207
"1006314"	355.212876	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2ACN+H"	83.060376
"1529546"	356.206508	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+IsoProp+Na+H"	84.054008
"991014"	178.110076	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+2ACN+2H"	84.067652
"1587332"	357.121128	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+K+HCOOH"	84.968628
"1415427"	387.152638	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+H+CF3COOH"	115.000138
"1149001"	198.623351	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+3ACN+2H"	125.094202
"1698190"	404.179185	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4+CF3COOH"	132.026685
"1637123"	409.13458	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+CF3COOH"	136.98208
"1581524"	425.10852	"C06067"	"Dimethylallyltryptophan;4-Dimethylallyltryptophan"	"C16H20N2O2"	"272.1525"	"M+K+CF3COOH"	152.95602
"811888"	254.1419	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M"	0
"989191"	235.12351	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-H2O-H"	-19.01839
"74760"	168.420657333333	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M-3H"	-3.021828
"516508"	253.134624	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M-3H"	-3.021828
"889936"	83.7066906666667	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-3H"	-3.021828
"12888"	253.134624	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M-2H"	-2.014552
"449167"	380.205574	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M-2H"	-2.014552
"825873"	126.063674	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-2H"	-2.014552
"88052"	507.276524	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M-H"	-1.007276
"528708"	761.418424	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M-H"	-1.007276
"905417"	253.134624	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-H"	-1.007276
"56513"	524.303071	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M-2H+NH4"	16.019271
"493887"	778.444971	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M-2H+NH4"	16.019271
"877765"	270.161171	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-2H+NH4"	16.019271
"45790"	529.258466	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M-2H+Na"	20.974666
"479148"	783.400366	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M-2H+Na"	20.974666
"854764"	275.116566	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-2H+Na"	20.974666
"1628672"	275.116566	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Na-2H"	20.974666
"99734"	271.122963	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M-H+Cl"	33.962126
"540388"	398.193913	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M-H+Cl"	33.962126
"932441"	144.052013	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-H+Cl"	33.962126
"273548"	543.253202	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+Cl"	34.969402
"667063"	797.395102	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+Cl"	34.969402
"1279831"	289.111302	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Cl"	34.969402
"25305"	545.232406	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M-2H+K"	36.948606
"463404"	799.374306	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M-2H+K"	36.948606
"838290"	291.090506	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-2H+K"	36.948606
"1565060"	291.090506	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+K-2H"	36.948606
"949295"	299.140094	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-H+HCOOH"	44.998194
"373346"	553.282001	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+HCOOH-H"	44.998201
"348843"	567.297651	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+Hac-H"	59.013851
"1498043"	313.155751	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Hac-H"	59.013851
"965221"	321.122051	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-H+NaCOOH"	66.980151
"110477"	289.111302	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+2Cl"	69.938804
"554787"	416.182252	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+2Cl"	69.938804
"1029787"	162.040352	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2Cl"	69.938804
"1249365"	333.060785	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Br"	78.918885
"1308167"	335.116772	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Cl+HCOOH"	80.974872
"1324569"	357.098729	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Cl+NaCOOH"	102.956829
"923651"	367.127486	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M-H+CF3COOH"	112.985586
"1304052"	403.104164	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Cl+CF3COOH"	148.962264
"1379616"	219.129224	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H-2H2O"	-35.012676
"1389459"	237.1392	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H-H2O"	-17.0027
"290238"	509.291076	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+H"	1.007276
"682658"	763.432976	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+H"	1.007276
"1357913"	255.149176	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H"	1.007276
"130803"	255.149176	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+2H"	2.014552
"572550"	382.220126	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+2H"	2.014552
"1045724"	128.078226	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2H"	2.014552
"210345"	170.435209333333	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+3H"	3.021828
"649905"	255.149176	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+3H"	3.021828
"1168029"	85.7212426666667	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+3H"	3.021828
"429116"	526.317623	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+NH4"	18.033823
"793388"	780.459523	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+NH4"	18.033823
"1690812"	272.175723	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+NH4"	18.033823
"340183"	263.6624495	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+H+NH4"	19.041099
"731511"	390.7333995	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+H+NH4"	19.041099
"1480959"	136.5914995	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H+NH4"	19.041099
"398550"	531.273018	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+Na"	22.989218
"757356"	785.414918	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+Na"	22.989218
"1606547"	277.131118	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Na"	22.989218
"315856"	266.140147	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+H+Na"	23.996494
"713384"	393.211097	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+H+Na"	23.996494
"1466113"	139.069197	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H+Na"	23.996494
"1057169"	93.0485566666667	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2H+Na"	25.00377
"1261034"	287.175386	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+CH3OH+H"	33.033486
"381072"	547.246958	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+K"	38.963158
"741703"	801.388858	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+K"	38.963158
"1541085"	293.105058	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+K"	38.963158
"305316"	274.127117	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+H+K"	39.970434
"695550"	401.198067	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+H+K"	39.970434
"1447186"	147.056167	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H+K"	39.970434
"237975"	550.317626	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+ACN+H"	42.033826
"1211778"	296.175726	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+ACN+H"	42.033826
"1197849"	148.591501	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+ACN+2H"	43.041102
"195096"	553.25496	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+2Na-H"	44.97116
"629916"	807.39686	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+2Na-H"	44.97116
"1133787"	299.11306	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2Na-H"	44.97116
"175622"	277.131118	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+2Na"	45.978436
"616639"	404.202068	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+2Na"	45.978436
"1126705"	150.060168	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2Na"	45.978436
"1409136"	100.375870666667	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H+2Na"	46.985712
"1434691"	301.154646	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H+HCOOH"	47.012746
"228759"	282.16414	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+3H2O+2H"	56.04448
"1511718"	315.20669	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+IsoProp+H"	61.06479
"409949"	285.118088	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+Na+K"	61.952376
"773129"	412.189038	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+Na+K"	61.952376
"1667272"	158.047138	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Na+K"	61.952376
"255986"	572.299568	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+ACN+Na"	64.015768
"1227234"	318.157668	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+ACN+Na"	64.015768
"1717582"	318.181193	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+NH4+HCOOH"	64.039293
"1186217"	107.703184666667	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+3Na"	68.967654
"1658299"	323.136588	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Na+HCOOH"	68.994688
"162971"	585.20284	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+2K-H"	76.91904
"600345"	839.34474	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+2K-H"	76.91904
"1091419"	331.06094	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2K-H"	76.91904
"146047"	293.105058	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"2M+2K"	77.926316
"583423"	420.176008	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"3M+2K"	77.926316
"1074494"	166.034108	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2K"	77.926316
"1106612"	333.075492	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2K+H"	78.933592
"1342995"	333.163107	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+DMSO+H"	79.021207
"1013713"	337.202276	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2ACN+H"	83.060376
"1528563"	338.195908	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+IsoProp+Na+H"	84.054008
"992825"	169.104776	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+2ACN+2H"	84.067652
"1587157"	339.110528	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+K+HCOOH"	84.968628
"1414315"	369.142038	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+H+CF3COOH"	115.000138
"1148379"	189.618051	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+3ACN+2H"	125.094202
"1697690"	386.168585	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+NH4+CF3COOH"	132.026685
"1639421"	391.12398	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+Na+CF3COOH"	136.98208
"1581634"	407.09792	"C06068"	"Elymoclavine;Dihydrolysergol"	"C16H18N2O"	"254.1419"	"M+K+CF3COOH"	152.95602
"814920"	168.115	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M"	0
"987723"	149.09661	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"76576"	111.069390666667	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"516621"	167.107724	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"893697"	55.0310573333333	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"11903"	167.107724	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"449277"	251.165224	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"828173"	83.050224	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"90349"	335.222724	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"527725"	503.337724	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"908809"	167.107724	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"59904"	352.249271	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"499464"	520.364271	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"876172"	184.134271	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"40789"	357.204666	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"481445"	525.319666	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"860344"	189.089666	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1626594"	189.089666	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"100937"	185.096063	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"538675"	269.153563	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"931824"	101.038563	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"272570"	371.199402	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"669364"	539.314402	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1275568"	203.084402	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"18488"	373.178606	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"457075"	541.293606	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"835118"	205.063606	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1557516"	205.063606	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"946493"	213.113194	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"365076"	381.228201	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"347861"	395.243851	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1494140"	227.128851	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"960589"	235.095151	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"112046"	203.084402	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"564510"	287.141902	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1035371"	119.026902	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1251665"	247.033885	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1319098"	249.089872	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1335020"	271.071829	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"925949"	281.100586	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1302656"	317.077264	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1373166"	133.102324	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1386292"	151.1123	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"288164"	337.237276	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"687147"	505.352276	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1356935"	169.122276	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H"	1.007276
"129822"	169.122276	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"575943"	253.179776	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1043648"	85.064776	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"209362"	113.083942666667	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"648920"	169.122276	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1167048"	57.0456093333333	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"428134"	354.263823	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"792406"	522.378823	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1688737"	186.148823	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"340293"	177.6355495	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"730528"	261.6930495	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1486542"	93.5780495	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"398660"	359.219218	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"762937"	527.334218	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1613223"	191.104218	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"325447"	180.113247	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"714587"	264.170747	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1464401"	96.055747	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1056550"	64.3729233333333	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1258596"	201.148486	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"378996"	375.193158	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"746197"	543.308158	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1548251"	207.078158	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+K"	38.963158
"306522"	188.100217	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"700037"	272.157717	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1457140"	104.042717	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"241368"	378.263826	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1212984"	210.148826	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1197236"	105.578051	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"196302"	381.20116	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"630759"	549.31616	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1133530"	213.08616	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"174997"	191.104218	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"614922"	275.161718	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1117700"	107.046718	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1401589"	71.7002373333333	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1431881"	215.127746	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"221942"	196.13724	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1510003"	229.17979	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"410418"	199.091188	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"771781"	283.148688	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1667389"	115.033688	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"252449"	400.245768	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1229899"	232.130768	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1716598"	232.154293	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1186327"	79.0275513333333	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1652939"	237.109688	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"159437"	413.14904	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"600089"	581.26404	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1087157"	245.03404	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"142756"	207.078158	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"582562"	291.135658	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1071326"	123.020658	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1105629"	247.048592	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1339830"	247.136207	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1006897"	251.175376	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1527581"	252.169008	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"990379"	126.091326	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1588652"	253.083628	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1416743"	283.115138	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1147761"	146.604601	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1697436"	300.141685	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1635150"	305.09708	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1581744"	321.07102	"C06069"	"Iridodial;cis-trans-Iridodial"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"815388"	182.0943	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M"	0
"989794"	163.07591	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"78144"	120.388924	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"518425"	181.087024	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"895432"	59.690824	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"10921"	181.087024	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"450481"	272.134174	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"825004"	90.039874	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"89369"	363.181324	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"530023"	545.275624	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"905639"	181.087024	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"56733"	380.207871	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"495200"	562.302171	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"871908"	198.113571	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"41992"	385.163266	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"479369"	567.257566	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"861547"	203.068966	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1624517"	203.068966	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"99954"	199.075363	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"537691"	290.122513	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"935216"	108.028213	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"273408"	399.158002	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"664006"	581.252302	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1276043"	217.063702	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"17504"	401.137206	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"459249"	583.231506	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"842885"	219.042906	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1558718"	219.042906	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"944419"	227.092494	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"364094"	409.186801	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"346154"	423.202451	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1494617"	241.108151	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"961427"	249.074451	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"111063"	217.063702	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"564982"	308.110852	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1034386"	126.016552	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1250682"	261.013185	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1318235"	263.069172	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1335470"	285.051129	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"925695"	295.079886	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1301673"	331.056564	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1373276"	147.081624	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1387495"	165.0916	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"288274"	365.195876	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"687257"	547.290176	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1358138"	183.101576	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"129932"	183.101576	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"576053"	274.148726	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1043759"	92.054426	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"209472"	122.403476	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"650123"	183.101576	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1167158"	61.705376	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"429337"	382.222423	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"794702"	564.316723	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1689940"	200.128123	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"339310"	191.6148495	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"730638"	282.6619995	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1487747"	100.5676995	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"402052"	387.177818	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"761954"	569.272118	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1610053"	205.083518	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"324464"	194.092547	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"714697"	285.139697	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1465238"	103.045397	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1054958"	69.03269	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1257733"	215.127786	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"378377"	403.151758	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"745214"	585.246058	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1548361"	221.057458	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"306629"	202.079517	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"700147"	293.126667	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1451781"	111.032367	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"242571"	406.222426	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1215278"	224.128126	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1206821"	112.567701	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"199692"	409.15976	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"629897"	591.25406	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1139480"	227.06546	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"175114"	205.083518	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"615766"	296.130668	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1118906"	114.036368	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1401699"	76.360004	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1431989"	229.107046	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"221326"	210.11654	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1509145"	243.15909	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"410532"	213.070488	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"770799"	304.117638	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1670784"	122.023338	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"255479"	428.204368	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1231104"	246.110068	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1719990"	246.133593	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1183521"	83.687318	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1654145"	251.088988	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"163194"	441.10764	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"601294"	623.20194	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1089455"	259.01334	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"142988"	221.057458	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"582547"	312.104608	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1070099"	130.010308	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1104647"	261.027892	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1337023"	261.115507	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1005951"	265.154676	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1528785"	266.148308	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"991953"	133.080976	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1587913"	267.062928	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1415032"	297.094438	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1147628"	153.594251	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1698881"	314.120985	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1634658"	319.07638	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1581854"	335.05032	"C06070"	"Iridotrial;(1S2R3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"812218"	374.1577	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M"	0
"988311"	355.13931	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-H2O-H"	-19.01839
"76914"	248.431190666667	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M-3H"	-3.021828
"517570"	373.150424	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M-3H"	-3.021828
"894280"	123.711957333333	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-3H"	-3.021828
"9937"	373.150424	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H"	-2.014552
"454481"	560.229274	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H"	-2.014552
"828394"	186.071574	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-2H"	-2.014552
"93611"	747.308124	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M-H"	-1.007276
"530133"	1121.465824	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M-H"	-1.007276
"905748"	373.150424	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-H"	-1.007276
"57936"	764.334671	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H+NH4"	16.019271
"500777"	1138.492371	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H+NH4"	16.019271
"874202"	390.176971	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-2H+NH4"	16.019271
"42102"	769.290066	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H+Na"	20.974666
"482760"	1143.447766	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H+Na"	20.974666
"861657"	395.132366	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-2H+Na"	20.974666
"1626813"	395.132366	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Na-2H"	20.974666
"98605"	391.138763	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M-H+Cl"	33.962126
"541812"	578.217613	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M-H+Cl"	33.962126
"935326"	204.059913	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-H+Cl"	33.962126
"272790"	783.284802	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+Cl"	34.969402
"664117"	1157.442502	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+Cl"	34.969402
"1276521"	409.127102	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl"	34.969402
"17980"	785.264006	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H+K"	36.948606
"457902"	1159.421706	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H+K"	36.948606
"842995"	411.106306	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-2H+K"	36.948606
"1557737"	411.106306	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+K-2H"	36.948606
"944893"	419.155894	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-H+HCOOH"	44.998194
"369307"	793.313601	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+HCOOH-H"	44.998201
"351003"	807.329251	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+Hac-H"	59.013851
"1494728"	433.171551	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Hac-H"	59.013851
"960447"	441.137851	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-H+NaCOOH"	66.980151
"112998"	409.127102	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+2Cl"	69.938804
"565215"	596.205952	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+2Cl"	69.938804
"1035957"	222.048252	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2Cl"	69.938804
"1250792"	453.076585	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Br"	78.918885
"1318953"	455.132572	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl+HCOOH"	80.974872
"1335199"	477.114529	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl+NaCOOH"	102.956829
"926537"	487.143286	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M-H+CF3COOH"	112.985586
"1302756"	523.119964	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl+CF3COOH"	148.962264
"1370106"	339.145024	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H-2H2O"	-35.012676
"1389791"	357.155	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H-H2O"	-17.0027
"288384"	749.322676	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+H"	1.007276
"686274"	1123.480376	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+H"	1.007276
"1359341"	375.164976	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H"	1.007276
"130042"	375.164976	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+2H"	2.014552
"572883"	562.243826	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+2H"	2.014552
"1043869"	188.086126	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2H"	2.014552
"208489"	250.445742666667	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+3H"	3.021828
"650234"	375.164976	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+3H"	3.021828
"1168361"	125.726509333333	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+3H"	3.021828
"432727"	766.349223	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+NH4"	18.033823
"792627"	1140.506923	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+NH4"	18.033823
"1690051"	392.191523	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+NH4"	18.033823
"340514"	383.6782495	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+H+NH4"	19.041099
"729655"	570.7570995	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+H+NH4"	19.041099
"1490043"	196.5993995	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H+NH4"	19.041099
"402162"	771.304618	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+Na"	22.989218
"760241"	1145.462318	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+Na"	22.989218
"1611256"	397.146918	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Na"	22.989218
"323480"	386.155947	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+H+Na"	23.996494
"712621"	573.234797	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+H+Na"	23.996494
"1464617"	199.077097	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H+Na"	23.996494
"1057862"	133.053823333333	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2H+Na"	25.00377
"1258453"	407.191186	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+CH3OH+H"	33.033486
"378123"	787.278558	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+K"	38.963158
"745324"	1161.436258	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+K"	38.963158
"1547378"	413.120858	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+K"	38.963158
"306739"	394.142917	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+H+K"	39.970434
"703538"	581.221767	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+H+K"	39.970434
"1455171"	207.064067	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H+K"	39.970434
"243775"	790.349226	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+ACN+H"	42.033826
"1217575"	416.191526	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+ACN+H"	42.033826
"1206932"	208.599401	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+ACN+2H"	43.041102
"196521"	793.28656	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+2Na-H"	44.97116
"640094"	1167.44426	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+2Na-H"	44.97116
"1135215"	419.12886	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2Na-H"	44.97116
"182879"	397.146918	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+2Na"	45.978436
"615513"	584.225768	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+2Na"	45.978436
"1119014"	210.068068	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2Na"	45.978436
"1399867"	140.381137333333	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H+2Na"	46.985712
"1432103"	421.170446	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H+HCOOH"	47.012746
"223625"	402.17994	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+3H2O+2H"	56.04448
"1508565"	435.22249	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+IsoProp+H"	61.06479
"410280"	405.133888	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+Na+K"	61.952376
"770546"	592.212738	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+Na+K"	61.952376
"1668337"	218.055038	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Na+K"	61.952376
"255952"	812.331168	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+ACN+Na"	64.015768
"1232307"	438.173468	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+ACN+Na"	64.015768
"1716089"	438.196993	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+NH4+HCOOH"	64.039293
"1181441"	147.708451333333	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+3Na"	68.967654
"1654255"	443.152388	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Na+HCOOH"	68.994688
"159294"	825.23444	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+2K-H"	76.91904
"601040"	1199.39214	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+2K-H"	76.91904
"1088473"	451.07674	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2K-H"	76.91904
"143100"	413.120858	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"2M+2K"	77.926316
"583754"	600.199708	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"3M+2K"	77.926316
"1072640"	226.042008	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2K"	77.926316
"1106943"	453.091292	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2K+H"	78.933592
"1341143"	453.178907	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+DMSO+H"	79.021207
"1009670"	457.218076	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2ACN+H"	83.060376
"1534362"	458.211708	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+IsoProp+Na+H"	84.054008
"997530"	229.112676	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+2ACN+2H"	84.067652
"1589482"	459.126328	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+K+HCOOH"	84.968628
"1414251"	489.157838	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+H+CF3COOH"	115.000138
"1147374"	249.625951	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+3ACN+2H"	125.094202
"1698263"	506.184385	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+NH4+CF3COOH"	132.026685
"1635376"	511.13978	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+Na+CF3COOH"	136.98208
"1581964"	527.11372	"C06071"	"Deoxyloganin;7-Deoxyloganin"	"C17H26O9"	"374.1577"	"M+K+CF3COOH"	152.95602
"812328"	136.1252	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M"	0
"986959"	117.10681	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"75202"	89.7428573333333	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"513671"	135.117924	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"893661"	44.3677906666667	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"8953"	135.117924	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"452889"	203.180524	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"826317"	67.055324	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"92748"	271.243124	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"531337"	407.368324	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"905858"	135.117924	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"58046"	288.269671	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"500887"	424.394871	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"874312"	152.144471	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"43305"	293.225066	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"481777"	429.350266	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"858486"	157.099866	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1625101"	157.099866	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"96163"	153.106263	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"539735"	221.168863	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"932156"	85.043663	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"268521"	307.219802	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"663132"	443.345002	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1274808"	171.094602	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"18819"	309.199006	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"458012"	445.324206	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"842012"	173.073806	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1557846"	173.073806	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"946456"	181.123394	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"363213"	317.248601	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"350020"	331.264251	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1494837"	195.139051	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"961648"	203.105351	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"117483"	171.094602	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"563619"	239.157202	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1035699"	103.032002	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1250902"	215.044085	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1311164"	217.100072	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1330848"	239.082029	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"922999"	249.110786	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1299706"	285.087464	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1369122"	101.112524	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1386622"	119.1225	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"287401"	273.257676	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"686384"	409.382876	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1357265"	137.132476	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H"	1.007276
"131246"	137.132476	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"571900"	205.195076	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1047259"	69.069876	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"208599"	91.7574093333333	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"650343"	137.132476	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1167378"	46.3823426666667	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"431744"	290.284223	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"794923"	426.409423	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1691252"	154.159023	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"339530"	145.6457495	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"729765"	213.7083495	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1490153"	77.5831495	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"402272"	295.239618	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"761080"	431.364818	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1609179"	159.114418	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"322496"	148.123447	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"710545"	216.186047	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1465456"	80.060847	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1057243"	53.7096566666667	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1259656"	169.158686	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"380055"	311.213558	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"746527"	447.338758	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1550767"	175.088358	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+K"	38.963158
"306849"	156.110417	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"701462"	224.173017	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1456375"	88.047817	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"242792"	314.284226	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1215499"	178.159026	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1207042"	89.583151	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"198818"	317.22156	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"638382"	453.34676	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1136419"	181.09636	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"180802"	159.114418	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"614407"	227.177018	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1119851"	91.051818	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1401674"	61.0369706666667	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1432215"	183.137946	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221305"	164.14744	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1509975"	197.18999	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"409295"	167.101388	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"771022"	235.163988	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1668810"	99.038788	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"256061"	336.266168	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1229499"	200.140968	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1716563"	200.164493	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1178876"	68.3642846666667	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1653635"	205.119888	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"159767"	349.16944	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"597987"	485.29464	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1086029"	213.04424	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"142117"	175.088358	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"582771"	243.150958	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1070564"	107.025758	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1105960"	215.058792	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1337972"	215.146407	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1008687"	219.185576	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1534472"	220.179208	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"997639"	110.096426	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1588499"	221.093828	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1416713"	251.125338	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1147122"	130.609701	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1698009"	268.151885	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1634757"	273.10728	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582074"	289.08122	"C06074"	"Myrcene;beta-Myrcene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"809158"	136.1252	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M"	0
"989260"	117.10681	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"76411"	89.7428573333333	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"517064"	135.117924	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"892677"	44.3677906666667	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"14779"	135.117924	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"454339"	203.180524	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"831290"	67.055324	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"93714"	271.243124	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"533278"	407.368324	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"910593"	135.117924	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"60833"	288.269671	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"500634"	424.394871	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"876981"	152.144471	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"46100"	293.225066	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"484075"	429.350266	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"860782"	157.099866	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1626304"	157.099866	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"98095"	153.106263	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"542031"	221.168863	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"932630"	85.043663	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"270092"	307.219802	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"666524"	443.345002	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1274918"	171.094602	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"21482"	309.199006	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"462134"	445.324206	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"836655"	173.073806	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1561237"	173.073806	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"946203"	181.123394	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"364057"	317.248601	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"346236"	331.264251	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1497862"	195.139051	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"963219"	203.105351	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"114678"	171.094602	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"559353"	239.157202	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1036419"	103.032002	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1253198"	215.044085	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1313460"	217.100072	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1332051"	239.082029	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"919829"	249.110786	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1297630"	285.087464	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1368138"	101.112524	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1386732"	119.1225	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"287511"	273.257676	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"685400"	409.382876	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1358468"	137.132476	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H"	1.007276
"134636"	137.132476	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"573102"	205.195076	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1048463"	69.069876	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"210895"	91.7574093333333	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"651549"	137.132476	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1167488"	46.3823426666667	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"439633"	290.284223	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"800504"	426.409423	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1689179"	154.159023	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"339643"	145.6457495	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"730970"	213.7083495	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1484796"	77.5831495	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"401288"	295.239618	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"759003"	431.364818	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1607103"	159.114418	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"316046"	148.123447	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"711745"	216.186047	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1464471"	80.060847	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1054072"	53.7096566666667	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1257691"	169.158686	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"378091"	311.213558	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"740429"	447.338758	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1544307"	175.088358	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+K"	38.963158
"303679"	156.110417	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"703758"	224.173017	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1453204"	88.047817	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"241809"	314.284226	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1214516"	178.159026	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1204966"	89.583151	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"194554"	317.22156	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"634121"	453.34676	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1138718"	181.09636	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"175081"	159.114418	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"615732"	227.177018	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1117779"	91.051818	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1400935"	61.0369706666667	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1430863"	183.137946	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221652"	164.14744	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1509354"	197.18999	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"409769"	167.101388	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"770441"	235.163988	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1670014"	99.038788	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"253252"	336.266168	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1228514"	200.140968	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1717402"	200.164493	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1178864"	68.3642846666667	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1653379"	205.119888	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"159511"	349.16944	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"604179"	485.29464	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1094159"	213.04424	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"149881"	175.088358	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"588350"	243.150958	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1079423"	107.025758	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1109353"	215.058792	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1341363"	215.146407	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1010985"	219.185576	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1532393"	220.179208	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"996655"	110.096426	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1593344"	221.093828	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1417912"	251.125338	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1151480"	130.609701	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1697758"	268.151885	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1637785"	273.10728	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582184"	289.08122	"C06075"	"Terpinolene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"814737"	136.1252	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M"	0
"987547"	117.10681	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"76520"	89.7428573333333	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"517172"	135.117924	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"895547"	44.3677906666667	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"12456"	135.117924	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"454691"	203.180524	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"832419"	67.055324	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"92970"	271.243124	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"533385"	407.368324	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"908996"	135.117924	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"59361"	288.269671	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"498921"	424.394871	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"878671"	152.144471	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"44259"	293.225066	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"480902"	429.350266	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"857612"	157.099866	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1623498"	157.099866	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"97839"	153.106263	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"539225"	221.168863	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"932740"	85.043663	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"270567"	307.219802	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"666634"	443.345002	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1275028"	171.094602	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"20499"	309.199006	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"461149"	445.324206	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"840046"	173.073806	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1561347"	173.073806	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"948136"	181.123394	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"366354"	317.248601	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"354610"	331.264251	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1494696"	195.139051	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"964423"	203.105351	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"118797"	171.094602	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"559460"	239.157202	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1034825"	103.032002	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1246746"	215.044085	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1308102"	217.100072	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1326693"	239.082029	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"917752"	249.110786	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1297740"	285.087464	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1367158"	101.112524	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1390122"	119.1225	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"283852"	273.257676	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"684417"	409.382876	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1356390"	137.132476	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H"	1.007276
"132559"	137.132476	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"577586"	205.195076	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1045291"	69.069876	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"214285"	91.7574093333333	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"649472"	137.132476	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1169782"	46.3823426666667	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"435245"	290.284223	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"795146"	426.409423	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1689290"	154.159023	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"337565"	145.6457495	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"729986"	213.7083495	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1484907"	77.5831495	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"400306"	295.239618	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"759113"	431.364818	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1606119"	159.114418	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"317250"	148.123447	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"708209"	216.186047	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1463121"	80.060847	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1053332"	53.7096566666667	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258412"	169.158686	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"379175"	311.213558	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"739440"	447.338758	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1541616"	175.088358	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+K"	38.963158
"303789"	156.110417	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"702774"	224.173017	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1455501"	88.047817	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"243012"	314.284226	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1214626"	178.159026	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1197414"	89.583151	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"193571"	317.22156	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"637506"	453.34676	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1137004"	181.09636	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"179929"	159.114418	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"615842"	227.177018	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1117885"	91.051818	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1400683"	61.0369706666667	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1432065"	183.137946	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221397"	164.14744	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1510923"	197.18999	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"414618"	167.101388	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"770630"	235.163988	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1670124"	99.038788	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"253729"	336.266168	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1228624"	200.140968	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1717512"	200.164493	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1178773"	68.3642846666667	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1653489"	205.119888	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"159257"	349.16944	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"606114"	485.29464	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1090990"	213.04424	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"149994"	175.088358	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"586273"	243.150958	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1075160"	107.025758	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1109464"	215.058792	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1342566"	215.146407	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1014377"	219.185576	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1530317"	220.179208	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1000046"	110.096426	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1593456"	221.093828	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1421304"	251.125338	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1152686"	130.609701	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1698590"	268.151885	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1634851"	273.10728	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582294"	289.08122	"C06076"	"Comphene;Camphene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"814848"	136.1252	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M"	0
"989481"	117.10681	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"78091"	89.7428573333333	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"518178"	135.117924	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"895568"	44.3677906666667	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"15673"	135.117924	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"452123"	203.180524	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"830536"	67.055324	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"90647"	271.243124	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"531910"	407.368324	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"909835"	135.117924	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-H"	-1.007276
"61172"	288.269671	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"501827"	424.394871	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"879511"	152.144471	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"42546"	293.225066	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"486361"	429.350266	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"859908"	157.099866	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1630538"	157.099866	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"101598"	153.106263	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"543345"	221.168863	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"932488"	85.043663	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"270677"	307.219802	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"666745"	443.345002	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1276959"	171.094602	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"20607"	309.199006	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"461261"	445.324206	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"836149"	173.073806	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1558541"	173.073806	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"944968"	181.123394	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"364277"	317.248601	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"346704"	331.264251	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1496993"	195.139051	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"960159"	203.105351	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"123294"	171.094602	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"563950"	239.157202	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1036153"	103.032002	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1255606"	215.044085	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1310400"	217.100072	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1324615"	239.082029	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"913485"	249.110786	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1294574"	285.087464	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1374923"	101.112524	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1385858"	119.1225	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"296117"	273.257676	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+H"	1.007276
"684527"	409.382876	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1356502"	137.132476	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H"	1.007276
"134857"	137.132476	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"578789"	205.195076	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1043215"	69.069876	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2H"	2.014552
"213303"	91.7574093333333	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"653955"	137.132476	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1170986"	46.3823426666667	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+3H"	3.021828
"429883"	290.284223	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"796348"	426.409423	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1691585"	154.159023	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"338773"	145.6457495	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"727185"	213.7083495	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1483923"	77.5831495	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"400416"	295.239618	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"760317"	431.364818	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1605501"	159.114418	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Na"	22.989218
"316993"	148.123447	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"710872"	216.186047	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1464693"	80.060847	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1053930"	53.7096566666667	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258887"	169.158686	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"378314"	311.213558	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+K"	38.963158
"741380"	447.338758	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1552194"	175.088358	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+K"	38.963158
"309370"	156.110417	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"701790"	224.173017	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1451239"	88.047817	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"240203"	314.284226	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1215829"	178.159026	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1202999"	89.583151	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"202430"	317.22156	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"634339"	453.34676	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1134199"	181.09636	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"177488"	159.114418	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"615952"	227.177018	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1117635"	91.051818	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1400429"	61.0369706666667	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1432545"	183.137946	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221510"	164.14744	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1509451"	197.18999	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"410722"	167.101388	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"770988"	235.163988	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1667682"	99.038788	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"253839"	336.266168	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1227641"	200.140968	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1713118"	200.164493	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1182613"	68.3642846666667	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1650559"	205.119888	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"159122"	349.16944	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"597960"	485.29464	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1088912"	213.04424	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"145728"	175.088358	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"584193"	243.150958	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1078550"	107.025758	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1107386"	215.058792	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1341583"	215.146407	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1012300"	219.185576	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1529333"	220.179208	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"991407"	110.096426	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1589192"	221.093828	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1420320"	251.125338	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1147694"	130.609701	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1701259"	268.151885	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1634723"	273.10728	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582405"	289.08122	"C06078"	"Limonene;Dipentene;dl-Limonene;Cajeputene;Kautschin"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"814960"	320.126	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M"	0
"987402"	301.10761	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-H2O-H"	-19.01839
"76737"	212.410057333333	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M-3H"	-3.021828
"515205"	319.118724	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M-3H"	-3.021828
"893004"	105.701390666667	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-3H"	-3.021828
"14864"	319.118724	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M-2H"	-2.014552
"451139"	479.181724	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M-2H"	-2.014552
"831131"	159.055724	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-2H"	-2.014552
"91122"	639.244724	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M-H"	-1.007276
"528495"	959.370724	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M-H"	-1.007276
"907390"	319.118724	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-H"	-1.007276
"62455"	656.271271	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M-2H+NH4"	16.019271
"498045"	976.397271	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M-2H+NH4"	16.019271
"874752"	336.145271	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-2H+NH4"	16.019271
"37551"	661.226666	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M-2H+Na"	20.974666
"472978"	981.352666	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M-2H+Na"	20.974666
"851998"	341.100666	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-2H+Na"	20.974666
"1628461"	341.100666	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Na-2H"	20.974666
"98062"	337.107063	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M-H+Cl"	33.962126
"535800"	497.170063	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M-H+Cl"	33.962126
"931502"	177.044063	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-H+Cl"	33.962126
"268964"	675.221402	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+Cl"	34.969402
"662480"	995.347402	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+Cl"	34.969402
"1274881"	355.095402	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Cl"	34.969402
"17804"	677.200606	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M-2H+K"	36.948606
"459545"	997.326606	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M-2H+K"	36.948606
"834073"	357.074606	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-2H+K"	36.948606
"1559382"	357.074606	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+K-2H"	36.948606
"945080"	365.124194	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-H+HCOOH"	44.998194
"367669"	685.250201	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+HCOOH-H"	44.998201
"348273"	699.265851	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+Hac-H"	59.013851
"1497104"	379.139851	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Hac-H"	59.013851
"963551"	387.106151	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-H+NaCOOH"	66.980151
"120123"	355.095402	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+2Cl"	69.938804
"564060"	515.158402	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+2Cl"	69.938804
"1030671"	195.032402	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2Cl"	69.938804
"1253530"	399.044885	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Br"	78.918885
"1310510"	401.100872	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Cl+HCOOH"	80.974872
"1323996"	423.082829	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Cl+NaCOOH"	102.956829
"912865"	433.111586	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M-H+CF3COOH"	112.985586
"1297964"	469.088264	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Cl+CF3COOH"	148.962264
"1376127"	285.113324	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H-2H2O"	-35.012676
"1387426"	303.1233	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H-H2O"	-17.0027
"293311"	641.259276	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+H"	1.007276
"682450"	961.385276	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+H"	1.007276
"1356612"	321.133276	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H"	1.007276
"130593"	321.133276	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+2H"	2.014552
"573432"	481.196276	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+2H"	2.014552
"1043325"	161.070276	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2H"	2.014552
"213413"	214.424609333333	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+3H"	3.021828
"654065"	321.133276	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+3H"	3.021828
"1168910"	107.715942666667	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+3H"	3.021828
"428899"	658.285823	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+NH4"	18.033823
"796460"	978.411823	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+NH4"	18.033823
"1689507"	338.159823	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+NH4"	18.033823
"336695"	329.6465495	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+H+NH4"	19.041099
"728387"	489.7095495	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+H+NH4"	19.041099
"1480753"	169.5835495	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H+NH4"	19.041099
"398339"	663.241218	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+Na"	22.989218
"763707"	983.367218	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+Na"	22.989218
"1607432"	343.115218	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Na"	22.989218
"316374"	332.124247	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+H+Na"	23.996494
"708792"	492.187247	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+H+Na"	23.996494
"1464439"	172.061247	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H+Na"	23.996494
"1054767"	115.043256666667	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2H+Na"	25.00377
"1258996"	353.159486	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+CH3OH+H"	33.033486
"378786"	679.215158	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+K"	38.963158
"739017"	999.341158	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+K"	38.963158
"1542091"	359.089158	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+K"	38.963158
"306196"	340.111217	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+H+K"	39.970434
"699712"	500.174217	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+H+K"	39.970434
"1449160"	180.048217	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H+K"	39.970434
"239584"	682.285826	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+ACN+H"	42.033826
"1213751"	362.159826	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+ACN+H"	42.033826
"1205296"	181.583551	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+ACN+2H"	43.041102
"201447"	685.22316	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+2Na-H"	44.97116
"638823"	1005.34916	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+2Na-H"	44.97116
"1135402"	365.09716	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2Na-H"	44.97116
"180150"	343.115218	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+2Na"	45.978436
"618981"	503.178218	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+2Na"	45.978436
"1119568"	183.052218	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2Na"	45.978436
"1402726"	122.370570666667	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H+2Na"	46.985712
"1434479"	367.138746	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H+HCOOH"	47.012746
"223078"	348.14824	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+3H2O+2H"	56.04448
"1511142"	381.19079	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+IsoProp+H"	61.06479
"411198"	351.102188	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+Na+K"	61.952376
"773285"	511.165188	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+Na+K"	61.952376
"1669615"	191.039188	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Na+K"	61.952376
"255408"	704.267768	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+ACN+Na"	64.015768
"1228479"	384.141768	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+ACN+Na"	64.015768
"1713956"	384.165293	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+NH4+HCOOH"	64.039293
"1182359"	129.697884666667	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+3Na"	68.967654
"1651277"	389.120688	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Na+HCOOH"	68.994688
"159962"	717.17104	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+2K-H"	76.91904
"601229"	1037.29704	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+2K-H"	76.91904
"1089022"	397.04504	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2K-H"	76.91904
"145838"	359.089158	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"2M+2K"	77.926316
"583451"	519.152158	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"3M+2K"	77.926316
"1077567"	199.026158	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2K"	77.926316
"1109683"	399.059592	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2K+H"	78.933592
"1341695"	399.147207	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+DMSO+H"	79.021207
"1013505"	403.186376	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2ACN+H"	83.060376
"1530536"	404.180008	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+IsoProp+Na+H"	84.054008
"1001360"	202.096826	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+2ACN+2H"	84.067652
"1590395"	405.094628	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+K+HCOOH"	84.968628
"1421524"	435.126138	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+H+CF3COOH"	115.000138
"1148532"	222.610101	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+3ACN+2H"	125.094202
"1698447"	452.152685	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+NH4+CF3COOH"	132.026685
"1634833"	457.10808	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+Na+CF3COOH"	136.98208
"1582515"	473.08202	"C06079"	"PR-toxin;PR Toxin"	"C17H20O6"	"320.126"	"M+K+CF3COOH"	152.95602
"809599"	312.1209	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M"	0
"987509"	293.10251	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-H2O-H"	-19.01839
"76120"	207.073324	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M-3H"	-3.021828
"514951"	311.113624	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M-3H"	-3.021828
"892020"	103.033024	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-3H"	-3.021828
"14244"	311.113624	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M-2H"	-2.014552
"454534"	467.174074	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M-2H"	-2.014552
"832336"	155.053174	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-2H"	-2.014552
"91233"	623.234524	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M-H"	-1.007276
"526418"	935.355424	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M-H"	-1.007276
"906406"	311.113624	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-H"	-1.007276
"59689"	640.261071	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M-2H+NH4"	16.019271
"498153"	952.381971	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M-2H+NH4"	16.019271
"875954"	328.140171	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-2H+NH4"	16.019271
"36568"	645.216466	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M-2H+Na"	20.974666
"472846"	957.337366	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M-2H+Na"	20.974666
"851744"	333.095566	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-2H+Na"	20.974666
"1627478"	333.095566	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Na-2H"	20.974666
"97079"	329.101963	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M-H+Cl"	33.962126
"535423"	485.162413	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M-H+Cl"	33.962126
"930518"	173.041513	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-H+Cl"	33.962126
"269439"	659.211202	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+Cl"	34.969402
"662226"	971.332102	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+Cl"	34.969402
"1274262"	347.090302	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Cl"	34.969402
"17549"	661.190406	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M-2H+K"	36.948606
"458199"	973.311306	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M-2H+K"	36.948606
"833572"	349.069506	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-2H+K"	36.948606
"1559492"	349.069506	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+K-2H"	36.948606
"944097"	357.119094	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-H+HCOOH"	44.998194
"364499"	669.240001	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+HCOOH-H"	44.998201
"347288"	683.255651	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+Hac-H"	59.013851
"1497214"	371.134751	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Hac-H"	59.013851
"963661"	379.101051	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-H+NaCOOH"	66.980151
"122419"	347.090302	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+2Cl"	69.938804
"560890"	503.150752	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+2Cl"	69.938804
"1032968"	191.029852	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2Cl"	69.938804
"1253640"	391.039785	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Br"	78.918885
"1308434"	393.095772	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Cl+HCOOH"	80.974872
"1327024"	415.077729	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Cl+NaCOOH"	102.956829
"913708"	425.106486	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M-H+CF3COOH"	112.985586
"1288521"	461.083164	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Cl+CF3COOH"	148.962264
"1376237"	277.108224	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H-2H2O"	-35.012676
"1390452"	295.1182	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H-H2O"	-17.0027
"293421"	625.249076	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+H"	1.007276
"684747"	937.369976	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+H"	1.007276
"1356722"	313.128176	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H"	1.007276
"130703"	313.128176	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+2H"	2.014552
"569168"	469.188626	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+2H"	2.014552
"1042342"	157.067726	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2H"	2.014552
"210243"	209.087876	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+3H"	3.021828
"648707"	313.128176	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+3H"	3.021828
"1169019"	105.047576	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+3H"	3.021828
"431199"	642.275623	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+NH4"	18.033823
"796570"	954.396523	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+NH4"	18.033823
"1689617"	330.154723	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+NH4"	18.033823
"336804"	321.6414495	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+H+NH4"	19.041099
"724857"	477.7018995	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+H+NH4"	19.041099
"1479040"	165.5809995	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H+NH4"	19.041099
"394802"	647.231018	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+Na"	22.989218
"760537"	959.351918	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+Na"	22.989218
"1604627"	335.110118	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Na"	22.989218
"315755"	324.119147	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+H+Na"	23.996494
"709267"	480.179597	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+H+Na"	23.996494
"1462723"	168.058697	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H+Na"	23.996494
"1053173"	112.37489	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2H+Na"	25.00377
"1257770"	345.154386	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+CH3OH+H"	33.033486
"377194"	663.204958	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+K"	38.963158
"738542"	975.325858	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+K"	38.963158
"1540216"	351.084058	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+K"	38.963158
"306306"	332.106117	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+H+K"	39.970434
"702008"	488.166567	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+H+K"	39.970434
"1449635"	176.045667	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H+K"	39.970434
"237508"	666.275626	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+ACN+H"	42.033826
"1210579"	354.154726	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+ACN+H"	42.033826
"1203219"	177.581001	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+ACN+2H"	43.041102
"201556"	669.21296	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+2Na-H"	44.97116
"637836"	981.33386	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+2Na-H"	44.97116
"1134052"	357.09206	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2Na-H"	44.97116
"179167"	335.110118	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+2Na"	45.978436
"618727"	491.170568	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+2Na"	45.978436
"1118948"	179.049668	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2Na"	45.978436
"1400284"	119.702204	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H+2Na"	46.985712
"1433496"	359.133646	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H+HCOOH"	47.012746
"221000"	340.14314	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+3H2O+2H"	56.04448
"1509186"	373.18569	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+IsoProp+H"	61.06479
"410578"	343.097088	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+Na+K"	61.952376
"770842"	499.157538	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+Na+K"	61.952376
"1669361"	187.036638	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Na+K"	61.952376
"251485"	688.257568	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+ACN+Na"	64.015768
"1227497"	376.136668	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+ACN+Na"	64.015768
"1713216"	376.160193	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+NH4+HCOOH"	64.039293
"1181741"	127.029518	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+3Na"	68.967654
"1652360"	381.115588	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Na+HCOOH"	68.994688
"157270"	701.16084	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+2K-H"	76.91904
"602432"	1013.28174	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+2K-H"	76.91904
"1091319"	389.03994	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2K-H"	76.91904
"149230"	351.084058	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"2M+2K"	77.926316
"587695"	507.144508	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"3M+2K"	77.926316
"1076584"	195.023608	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2K"	77.926316
"1111981"	391.054492	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2K+H"	78.933592
"1341805"	391.142107	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+DMSO+H"	79.021207
"1013615"	395.181276	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2ACN+H"	83.060376
"1530646"	396.174908	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+IsoProp+Na+H"	84.054008
"1001470"	198.094276	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+2ACN+2H"	84.067652
"1592694"	397.089528	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+K+HCOOH"	84.968628
"1427102"	427.121038	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+H+CF3COOH"	115.000138
"1148642"	218.607551	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+3ACN+2H"	125.094202
"1697585"	444.147585	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+NH4+CF3COOH"	132.026685
"1634943"	449.10298	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+Na+CF3COOH"	136.98208
"1582625"	465.07692	"C06080"	"Nivalenol"	"C15H20O7"	"312.1209"	"M+K+CF3COOH"	152.95602
"814817"	264.1362	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M"	0
"988230"	245.11781	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"75138"	175.083524	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"515424"	263.128924	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"894445"	87.038124	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"10707"	263.128924	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"451360"	395.197024	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"829164"	131.060824	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"90249"	527.265124	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"529807"	791.401324	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"906518"	263.128924	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"59675"	544.291671	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"498263"	808.427871	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"866590"	280.155471	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"33763"	549.247066	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"476970"	813.383266	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"860244"	285.110866	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1627588"	285.110866	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"99744"	281.117263	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"539303"	413.185363	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"929538"	149.049163	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"268214"	563.241802	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"661971"	827.378002	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1278386"	299.105602	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"20942"	565.221006	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"458316"	829.357206	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"836118"	301.084806	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1566167"	301.084806	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"947490"	309.134394	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"363881"	573.270601	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"349587"	587.286251	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1493316"	323.150051	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"967064"	331.116351	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"118157"	299.105602	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"558810"	431.173702	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1033078"	167.037502	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1251561"	343.055085	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1311824"	345.111072	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1328226"	367.093029	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"911754"	377.121786	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1297092"	413.098464	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1380359"	229.123524	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1397249"	247.1335	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"296816"	529.279676	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"690330"	793.415876	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1365826"	265.143476	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"133002"	265.143476	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"573656"	397.211576	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1041725"	133.075376	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"210354"	177.098076	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"651009"	265.143476	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1172412"	89.052676	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"432405"	546.306223	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"795587"	810.442423	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1688637"	282.170023	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"332543"	273.6567495	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"728609"	405.7248495	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1479882"	141.5886495	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"395284"	551.261618	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"755914"	815.397818	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1603649"	287.125418	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"314651"	276.134447	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"709011"	408.202547	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1463924"	144.066347	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1054134"	96.37999	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1258242"	297.169686	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"377912"	567.235558	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"739326"	831.371758	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1548146"	303.099358	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"301676"	284.121417	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"697750"	416.189517	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1454850"	152.053317	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"240899"	570.306226	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1217261"	306.170026	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1202238"	153.588651	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"195109"	573.24356	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"628615"	837.37976	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1134165"	309.10736	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"174902"	287.125418	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"614466"	419.193518	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1116511"	155.057318	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1398937"	103.707304	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1430320"	311.148946	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"220080"	292.15844	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1509181"	325.20099	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"409597"	295.112388	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"771321"	427.180488	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1668384"	163.044288	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"257090"	592.288168	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1227608"	328.151968	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1712735"	328.175493	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1184041"	111.034618	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1651502"	333.130888	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"162983"	605.19144	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"606919"	869.32764	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1091430"	341.05524	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"147153"	303.099358	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"591088"	435.167458	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1077787"	171.031258	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1110998"	343.069792	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1348112"	343.157407	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1014819"	347.196576	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1535132"	348.190208	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"998300"	174.101926	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1589523"	349.104828	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1425025"	379.136338	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1150211"	194.615201	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1701587"	396.162885	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1637243"	401.11828	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1582736"	417.09222	"C06082"	"Abscisate;Abscisic acid;()-Abscisic acid;ABA"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"809820"	428.4018	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M"	0
"983353"	409.38341	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-H2O-H"	-19.01839
"74881"	284.593924	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M-3H"	-3.021828
"513347"	427.394524	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M-3H"	-3.021828
"892242"	141.793324	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-3H"	-3.021828
"7537"	427.394524	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M-2H"	-2.014552
"450377"	641.595424	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M-2H"	-2.014552
"825993"	213.193624	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-2H"	-2.014552
"87077"	855.796324	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M-H"	-1.007276
"528824"	1284.198124	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M-H"	-1.007276
"901160"	427.394524	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-H"	-1.007276
"54438"	872.822871	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M-2H+NH4"	16.019271
"495092"	1301.224671	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M-2H+NH4"	16.019271
"865970"	444.421071	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-2H+NH4"	16.019271
"33873"	877.778266	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M-2H+Na"	20.974666
"477444"	1306.180066	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M-2H+Na"	20.974666
"859261"	449.376466	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-2H+Na"	20.974666
"1627698"	449.376466	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Na-2H"	20.974666
"99854"	445.382863	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M-H+Cl"	33.962126
"538320"	659.583763	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M-H+Cl"	33.962126
"929648"	231.181963	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-H+Cl"	33.962126
"267636"	891.773002	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+Cl"	34.969402
"660989"	1320.174802	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+Cl"	34.969402
"1280683"	463.371202	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Cl"	34.969402
"21052"	893.752206	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M-2H+K"	36.948606
"458426"	1322.154006	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M-2H+K"	36.948606
"836228"	465.350406	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-2H+K"	36.948606
"1562996"	465.350406	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+K-2H"	36.948606
"947600"	473.399994	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-H+HCOOH"	44.998194
"364720"	901.801801	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+HCOOH-H"	44.998201
"346132"	915.817451	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+Hac-H"	59.013851
"1493179"	487.415651	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Hac-H"	59.013851
"967174"	495.381951	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-H+NaCOOH"	66.980151
"117173"	463.371202	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+2Cl"	69.938804
"556733"	677.572102	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+2Cl"	69.938804
"1031001"	249.170302	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2Cl"	69.938804
"1249484"	507.320685	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Br"	78.918885
"1311934"	509.376672	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Cl+HCOOH"	80.974872
"1327243"	531.358629	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Cl+NaCOOH"	102.956829
"913078"	541.387386	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M-H+CF3COOH"	112.985586
"1297202"	577.364064	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Cl+CF3COOH"	148.962264
"1380470"	393.389124	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H-2H2O"	-35.012676
"1397481"	411.3991	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H-H2O"	-17.0027
"294370"	857.810876	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+H"	1.007276
"690441"	1286.212676	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+H"	1.007276
"1364601"	429.409076	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H"	1.007276
"134205"	429.409076	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+2H"	2.014552
"571579"	643.609976	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+2H"	2.014552
"1039284"	215.208176	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2H"	2.014552
"210464"	286.608476	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+3H"	3.021828
"654399"	429.409076	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+3H"	3.021828
"1172522"	143.807876	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+3H"	3.021828
"435795"	874.837423	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+NH4"	18.033823
"795697"	1303.239223	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+NH4"	18.033823
"1693120"	446.435623	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+NH4"	18.033823
"334475"	437.9223495	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+H+NH4"	19.041099
"728719"	652.1232495	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+H+NH4"	19.041099
"1481083"	223.7214495	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H+NH4"	19.041099
"395391"	879.792818	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+Na"	22.989218
"758572"	1308.194618	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+Na"	22.989218
"1603108"	451.391018	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Na"	22.989218
"317800"	440.400047	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+H+Na"	23.996494
"709128"	654.600947	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+H+Na"	23.996494
"1462584"	226.199147	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H+Na"	23.996494
"1053237"	151.13519	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2H+Na"	25.00377
"1257423"	461.435286	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+CH3OH+H"	33.033486
"377582"	895.766758	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+K"	38.963158
"740368"	1324.168558	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+K"	38.963158
"1547527"	467.364958	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+K"	38.963158
"302879"	448.387017	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+H+K"	39.970434
"696037"	662.587917	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+H+K"	39.970434
"1453867"	234.186117	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H+K"	39.970434
"241009"	898.837426	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+ACN+H"	42.033826
"1214085"	470.435626	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+ACN+H"	42.033826
"1200161"	235.721451	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+ACN+2H"	43.041102
"192666"	901.77476	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+2Na-H"	44.97116
"628984"	1330.17656	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+2Na-H"	44.97116
"1133910"	473.37296	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2Na-H"	44.97116
"175012"	451.391018	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+2Na"	45.978436
"614576"	665.591918	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+2Na"	45.978436
"1116742"	237.190118	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2Na"	45.978436
"1399775"	158.462504	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H+2Na"	46.985712
"1430227"	475.414546	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H+HCOOH"	47.012746
"220246"	456.42404	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+3H2O+2H"	56.04448
"1509169"	489.46659	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+IsoProp+H"	61.06479
"409343"	459.377988	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+Na+K"	61.952376
"771067"	673.578888	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+Na+K"	61.952376
"1668494"	245.177088	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Na+K"	61.952376
"254645"	920.819368	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+ACN+Na"	64.015768
"1226215"	492.417568	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+ACN+Na"	64.015768
"1713152"	492.441093	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+NH4+HCOOH"	64.039293
"1178917"	165.789818	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+3Na"	68.967654
"1650633"	497.396488	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Na+HCOOH"	68.994688
"163093"	933.72264	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+2K-H"	76.91904
"603749"	1362.12444	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+2K-H"	76.91904
"1090447"	505.32084	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2K-H"	76.91904
"147263"	467.364958	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"2M+2K"	77.926316
"587918"	681.565858	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"3M+2K"	77.926316
"1075711"	253.164058	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2K"	77.926316
"1107828"	507.335392	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2K+H"	78.933592
"1345306"	507.423007	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+DMSO+H"	79.021207
"1014929"	511.462176	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2ACN+H"	83.060376
"1528682"	512.455808	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+IsoProp+Na+H"	84.054008
"991850"	256.234726	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+2ACN+2H"	84.067652
"1588904"	513.370428	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+K+HCOOH"	84.968628
"1425135"	543.401938	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+H+CF3COOH"	115.000138
"1151049"	276.748001	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+3ACN+2H"	125.094202
"1699510"	560.428485	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+NH4+CF3COOH"	132.026685
"1637353"	565.38388	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+Na+CF3COOH"	136.98208
"1582846"	581.35782	"C06083"	"Tetrahymanol"	"C30H52O"	"428.4018"	"M+K+CF3COOH"	152.95602
"813212"	272.2504	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M"	0
"983464"	253.23201	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"73894"	180.492990666667	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"506895"	271.243124	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"887976"	89.7428573333333	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"13111"	271.243124	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"453767"	407.368324	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"822821"	135.117924	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"90466"	543.493524	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"523101"	815.743924	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"903454"	271.243124	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"54555"	560.520071	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"491196"	832.770471	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"870825"	288.269671	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"43102"	565.475466	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"479383"	837.725866	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"858277"	293.225066	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1628902"	293.225066	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"103245"	289.231463	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"539524"	425.356663	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"929758"	153.106263	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"268430"	579.470202	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"670578"	851.720602	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1287235"	307.219802	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"30280"	581.449406	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"461820"	853.699806	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"840716"	309.199006	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1560923"	309.199006	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"953181"	317.248594	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"367021"	589.499001	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"352000"	603.514651	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1497554"	331.264251	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"966186"	339.230551	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"114003"	307.219802	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"552470"	443.345002	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1027831"	171.094602	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1248501"	351.169285	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1315330"	353.225272	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1331734"	375.207229	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"922792"	385.235986	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1301326"	421.212664	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1379486"	237.237724	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1394065"	255.2477	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"294845"	545.508076	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"687995"	817.758476	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1361429"	273.257676	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"132129"	273.257676	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"570960"	409.382876	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1044861"	137.132476	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"212761"	182.507542666667	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"653413"	273.257676	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1172632"	91.7574093333333	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"430437"	562.534623	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"789252"	834.785023	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1685581"	290.284223	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"333860"	281.7709495	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"729923"	417.8961495	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1483379"	145.6457495	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"397686"	567.490018	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"757588"	839.740418	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1604596"	295.239618	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"316817"	284.248647	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"709602"	420.373847	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1461845"	148.123447	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1053880"	99.0847233333333	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1262374"	305.283886	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"383136"	583.463958	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"745224"	855.714358	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1545097"	311.213558	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"305555"	292.235617	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"695056"	428.360817	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1457266"	156.110417	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"249880"	586.534626	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1217484"	314.284226	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1202461"	157.645751	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"199708"	589.47196	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"635987"	861.72236	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1138400"	317.22156	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"175491"	295.239618	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"614320"	431.364818	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1116732"	159.114418	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1399162"	106.412037333333	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1439306"	319.263146	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"223533"	300.27264	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1512321"	333.31519	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"412373"	303.226588	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"771178"	439.351788	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1669333"	167.101388	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"254397"	608.516568	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1231117"	336.266168	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1721097"	336.289693	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1184265"	113.739351333333	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1655250"	341.245088	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"164664"	621.41984	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"609327"	893.67024	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1098824"	349.16944	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"151750"	311.213558	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"596298"	447.338758	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1076916"	175.088358	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1110124"	351.183992	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1341043"	351.271607	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1010668"	355.310776	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1532075"	356.304408	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"997428"	178.159026	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1593027"	357.219028	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1417592"	387.250538	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1153357"	198.672301	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1701814"	404.277085	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1647308"	409.23248	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1582958"	425.20642	"C06086"	"Pimaradiene;Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"813322"	302.2246	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M"	0
"987949"	283.20621	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"74004"	200.475790666667	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"505181"	301.217324	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"889179"	99.7342573333333	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"13221"	301.217324	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"454970"	452.329624	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"829492"	150.105024	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"87296"	603.441924	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"521753"	905.666524	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"900284"	301.217324	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"56851"	620.468471	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"489849"	922.693071	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"872028"	318.243871	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"43212"	625.423866	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"480584"	927.648466	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"859480"	323.199266	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1629012"	323.199266	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"102261"	319.205663	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"539634"	470.317963	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"929868"	168.093363	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"268424"	639.418602	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"670688"	941.643202	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1287345"	337.194002	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"30389"	641.397806	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"461930"	943.622406	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"839732"	339.173206	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1559939"	339.173206	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"952197"	347.222794	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"368224"	649.447401	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"352113"	663.463051	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1496935"	361.238451	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"964111"	369.204751	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"116300"	337.194002	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"555859"	488.306302	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1031221"	186.081702	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1249704"	381.143485	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1315440"	383.199472	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1331844"	405.181429	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"923995"	415.210186	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1301074"	451.186864	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1379597"	267.211924	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1394175"	285.2219	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"289487"	605.456476	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"687377"	907.681076	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1361175"	303.231876	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"133333"	303.231876	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"573986"	454.344176	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1046065"	152.119576	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"212871"	202.490342666667	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"651336"	303.231876	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1171649"	101.748809333333	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"432734"	622.483023	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"789363"	924.707623	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1683503"	320.258423	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"332876"	311.7451495	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"727486"	462.8574495	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1482399"	160.6328495	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"394517"	627.438418	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"758794"	929.663018	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1604705"	325.213818	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"315831"	314.222847	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"709347"	465.335147	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1461831"	163.110547	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1053870"	109.076123333333	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1261390"	335.258086	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"385432"	643.412358	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"746426"	945.636958	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1548478"	341.187758	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"306750"	322.209817	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"695161"	473.322117	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1458468"	171.097517	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"249261"	646.483026	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1217594"	344.258426	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1201478"	172.632851	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"191795"	649.42036	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"633911"	951.64496	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1140698"	347.19576	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"179613"	325.213818	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"614070"	476.326118	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1116962"	174.101518	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1400736"	116.403437333333	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1442698"	349.237346	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"226922"	330.24684	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1512796"	363.28939	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"411024"	333.200788	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"770924"	484.313088	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1669444"	182.088488	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"255600"	668.464968	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1232319"	366.240368	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1717926"	366.263893	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1181094"	123.730751333333	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1653537"	371.219288	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"160400"	681.36824	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"606157"	983.59284	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1098691"	379.14364	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"151860"	341.187758	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"592514"	492.300058	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1077026"	190.075458	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1112058"	381.158192	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1347714"	381.245807	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1012965"	385.284976	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1534372"	386.278608	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"998631"	193.146126	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1594230"	387.193228	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1419890"	417.224738	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1149453"	213.659401	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1707392"	434.251285	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1646326"	439.20668	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1583068"	455.18062	"C06087"	"Abietate;Abietic acid"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"812339"	338.2457	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M"	0
"988059"	319.22731	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-H2O-H"	-19.01839
"74114"	224.489857333333	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M-3H"	-3.021828
"507114"	337.238424	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M-3H"	-3.021828
"884916"	111.741290666667	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-3H"	-3.021828
"4584"	337.238424	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M-2H"	-2.014552
"446332"	506.361274	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M-2H"	-2.014552
"829602"	168.115574	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-2H"	-2.014552
"83032"	675.484124	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M-H"	-1.007276
"521863"	1013.729824	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M-H"	-1.007276
"900394"	337.238424	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-H"	-1.007276
"55868"	692.510671	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M-2H+NH4"	16.019271
"490323"	1030.756371	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M-2H+NH4"	16.019271
"869221"	354.264971	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-2H+NH4"	16.019271
"43322"	697.466066	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M-2H+Na"	20.974666
"479601"	1035.711766	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M-2H+Na"	20.974666
"854124"	359.220366	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-2H+Na"	20.974666
"1624749"	359.220366	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Na-2H"	20.974666
"99092"	355.226763	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M-H+Cl"	33.962126
"538651"	524.349613	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M-H+Cl"	33.962126
"931071"	186.103913	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-H+Cl"	33.962126
"267681"	711.460802	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+Cl"	34.969402
"663143"	1049.706502	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+Cl"	34.969402
"1283202"	373.215102	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Cl"	34.969402
"26852"	713.440006	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M-2H+K"	36.948606
"460945"	1051.685706	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M-2H+K"	36.948606
"839842"	375.194306	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-2H+K"	36.948606
"1564423"	375.194306	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+K-2H"	36.948606
"946839"	383.243894	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-H+HCOOH"	44.998194
"362867"	721.489601	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+HCOOH-H"	44.998201
"350031"	735.505251	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+Hac-H"	59.013851
"1496681"	397.259551	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Hac-H"	59.013851
"963125"	405.225851	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-H+NaCOOH"	66.980151
"116410"	373.215102	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+2Cl"	69.938804
"552689"	542.337952	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+2Cl"	69.938804
"1031331"	204.092252	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2Cl"	69.938804
"1245441"	417.164585	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Br"	78.918885
"1318466"	419.220572	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Cl+HCOOH"	80.974872
"1331954"	441.202529	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Cl+NaCOOH"	102.956829
"923741"	451.231286	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M-H+CF3COOH"	112.985586
"1303004"	487.207964	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Cl+CF3COOH"	148.962264
"1377153"	303.233024	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H-2H2O"	-35.012676
"1393921"	321.243	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H-H2O"	-17.0027
"291784"	677.498676	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+H"	1.007276
"685299"	1015.744376	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+H"	1.007276
"1361286"	339.252976	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H"	1.007276
"136723"	339.252976	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+2H"	2.014552
"575189"	508.375826	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+2H"	2.014552
"1046175"	170.130126	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2H"	2.014552
"214075"	226.504409333333	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+3H"	3.021828
"649623"	339.252976	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+3H"	3.021828
"1172853"	113.755842666667	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+3H"	3.021828
"431750"	694.525223	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+NH4"	18.033823
"788013"	1032.770923	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+NH4"	18.033823
"1683978"	356.279523	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+NH4"	18.033823
"331529"	347.7662495	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+H+NH4"	19.041099
"728689"	516.8890995	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+H+NH4"	19.041099
"1483603"	178.6433995	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H+NH4"	19.041099
"395723"	699.480618	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+Na"	22.989218
"757811"	1037.726318	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+Na"	22.989218
"1604815"	361.234918	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Na"	22.989218
"315213"	350.243947	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+H+Na"	23.996494
"707999"	519.366797	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+H+Na"	23.996494
"1461658"	181.121097	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H+Na"	23.996494
"1053371"	121.083156666667	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2H+Na"	25.00377
"1264780"	371.279186	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+CH3OH+H"	33.033486
"382260"	715.454558	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+K"	38.963158
"748719"	1053.700258	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+K"	38.963158
"1547495"	377.208858	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+K"	38.963158
"309049"	358.230917	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+H+K"	39.970434
"694907"	527.353767	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+H+K"	39.970434
"1450923"	189.108067	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H+K"	39.970434
"247182"	718.525226	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+ACN+H"	42.033826
"1210413"	380.279526	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+ACN+H"	42.033826
"1199401"	190.643401	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+ACN+2H"	43.041102
"189149"	721.46256	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+2Na-H"	44.97116
"629642"	1059.70826	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+2Na-H"	44.97116
"1139715"	383.21686	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2Na-H"	44.97116
"178630"	361.234918	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+2Na"	45.978436
"614180"	530.357768	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+2Na"	45.978436
"1115681"	192.112068	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2Na"	45.978436
"1400846"	128.410470666667	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H+2Na"	46.985712
"1443172"	385.258446	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H+HCOOH"	47.012746
"225939"	366.26794	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+3H2O+2H"	56.04448
"1513270"	399.31049	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+IsoProp+H"	61.06479
"411134"	369.221888	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+Na+K"	61.952376
"770548"	538.344738	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+Na+K"	61.952376
"1668826"	200.099038	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Na+K"	61.952376
"255710"	740.507168	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+ACN+Na"	64.015768
"1233523"	402.261468	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+ACN+Na"	64.015768
"1714756"	402.284993	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+NH4+HCOOH"	64.039293
"1179743"	135.737784666667	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+3Na"	68.967654
"1654011"	407.240388	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Na+HCOOH"	68.994688
"164519"	753.41044	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+2K-H"	76.91904
"606267"	1091.65614	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+2K-H"	76.91904
"1098680"	415.16474	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2K-H"	76.91904
"149783"	377.208858	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"2M+2K"	77.926316
"592624"	546.331708	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"3M+2K"	77.926316
"1078230"	208.086008	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2K"	77.926316
"1110345"	417.179292	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2K+H"	78.933592
"1345637"	417.266907	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+DMSO+H"	79.021207
"1013075"	421.306076	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2ACN+H"	83.060376
"1534482"	422.299708	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+IsoProp+Na+H"	84.054008
"998742"	211.156676	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+2ACN+2H"	84.067652
"1593246"	423.214328	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+K+HCOOH"	84.968628
"1421093"	453.245838	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+H+CF3COOH"	115.000138
"1149563"	231.669951	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+3ACN+2H"	125.094202
"1699479"	470.272385	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+NH4+CF3COOH"	132.026685
"1646436"	475.22778	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+Na+CF3COOH"	136.98208
"1583178"	491.20172	"C06088"	"Aphidicolin"	"C20H34O4"	"338.2457"	"M+K+CF3COOH"	152.95602
"812449"	450.1936	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M"	0
"987076"	431.17521	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H2O-H"	-19.01839
"74224"	299.121790666667	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-3H"	-3.021828
"506131"	449.186324	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-3H"	-3.021828
"883203"	149.057257333333	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-3H"	-3.021828
"5787"	449.186324	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H"	-2.014552
"449722"	674.283124	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H"	-2.014552
"829713"	224.089524	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H"	-2.014552
"85329"	899.379924	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H"	-1.007276
"524890"	1349.573524	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H"	-1.007276
"900868"	449.186324	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H"	-1.007276
"58165"	916.406471	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+NH4"	16.019271
"495537"	1366.600071	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+NH4"	16.019271
"871154"	466.212871	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+NH4"	16.019271
"40152"	921.361866	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+Na"	20.974666
"477525"	1371.555466	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+Na"	20.974666
"857514"	471.168266	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+Na"	20.974666
"1629233"	471.168266	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na-2H"	20.974666
"102482"	467.174663	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H+Cl"	33.962126
"543134"	692.271463	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H+Cl"	33.962126
"932274"	242.077863	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+Cl"	33.962126
"269737"	935.356602	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Cl"	34.969402
"666534"	1385.550202	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Cl"	34.969402
"1284406"	485.163002	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl"	34.969402
"25869"	937.335806	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+K"	36.948606
"466523"	1387.529406	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+K"	36.948606
"845419"	487.142206	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+K"	36.948606
"1565626"	487.142206	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K-2H"	36.948606
"954603"	495.191794	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+HCOOH"	44.998194
"373911"	945.385401	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+HCOOH-H"	44.998201
"352328"	959.401051	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Hac-H"	59.013851
"1500071"	509.207451	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Hac-H"	59.013851
"964327"	517.173751	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+NaCOOH"	66.980151
"117613"	485.163002	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Cl"	69.938804
"553893"	710.259802	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Cl"	69.938804
"1031441"	260.066202	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Cl"	69.938804
"1245551"	529.112485	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Br"	78.918885
"1315660"	531.168472	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+HCOOH"	80.974872
"1334252"	553.150429	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+NaCOOH"	102.956829
"923851"	563.179186	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+CF3COOH"	112.985586
"1300562"	599.155864	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+CF3COOH"	148.962264
"1377992"	415.180924	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-2H2O"	-35.012676
"1396583"	433.1909	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-H2O"	-17.0027
"291894"	901.394476	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H"	1.007276
"686868"	1351.588076	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H"	1.007276
"1362490"	451.200876	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H"	1.007276
"138292"	451.200876	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2H"	2.014552
"574206"	676.297676	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2H"	2.014552
"1049565"	226.104076	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H"	2.014552
"210905"	301.136342666667	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H"	3.021828
"652650"	451.200876	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+3H"	3.021828
"1172963"	151.071809333333	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3H"	3.021828
"432226"	918.421023	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+NH4"	18.033823
"788488"	1368.614623	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+NH4"	18.033823
"1685546"	468.227423	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4"	18.033823
"335285"	459.7141495	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+NH4"	19.041099
"729892"	684.8109495	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+NH4"	19.041099
"1488087"	234.6173495	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+NH4"	19.041099
"401299"	923.376418	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na"	22.989218
"764482"	1373.570018	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na"	22.989218
"1603832"	473.182818	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na"	22.989218
"315448"	462.191847	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+Na"	23.996494
"710665"	687.288647	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+Na"	23.996494
"1462663"	237.095047	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+Na"	23.996494
"1057007"	158.399123333333	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H+Na"	25.00377
"1261610"	483.227086	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+CH3OH+H"	33.033486
"385649"	939.350358	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+K"	38.963158
"747736"	1389.543958	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+K"	38.963158
"1546510"	489.156758	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K"	38.963158
"303692"	470.178817	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+K"	39.970434
"695016"	695.275617	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+K"	39.970434
"1449940"	245.082017	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+K"	39.970434
"244012"	942.421026	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+H"	42.033826
"1211251"	492.227426	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+H"	42.033826
"1199511"	246.617351	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+2H"	43.041102
"189463"	945.35836	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na-H"	44.97116
"629386"	1395.55196	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na-H"	44.97116
"1134358"	495.16476	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na-H"	44.97116
"174001"	473.182818	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na"	45.978436
"614290"	698.279618	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na"	45.978436
"1115885"	248.086018	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na"	45.978436
"1398715"	165.726437333333	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+2Na"	46.985712
"1440729"	497.206346	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+HCOOH"	47.012746
"226049"	478.21584	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H2O+2H"	56.04448
"1510828"	511.25839	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+H"	61.06479
"411244"	481.169788	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na+K"	61.952376
"774791"	706.266588	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na+K"	61.952376
"1668207"	256.072988	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+K"	61.952376
"257643"	964.402968	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+Na"	64.015768
"1229259"	514.209368	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+Na"	64.015768
"1715955"	514.232893	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+HCOOH"	64.039293
"1182404"	173.053751333333	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3Na"	68.967654
"1653390"	519.188288	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+HCOOH"	68.994688
"163533"	977.30624	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K-H"	76.91904
"605281"	1427.49984	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K-H"	76.91904
"1091980"	527.11264	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K-H"	76.91904
"146974"	489.156758	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K"	77.926316
"590544"	714.253558	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K"	77.926316
"1075055"	264.059958	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K"	77.926316
"1110452"	529.127192	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K+H"	78.933592
"1345746"	529.214807	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+DMSO+H"	79.021207
"1013185"	533.253976	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+H"	83.060376
"1532405"	534.247608	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+Na+H"	84.054008
"996664"	267.130626	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+2H"	84.067652
"1591170"	535.162228	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+HCOOH"	84.968628
"1419018"	565.193738	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+CF3COOH"	115.000138
"1148944"	287.643901	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3ACN+2H"	125.094202
"1697522"	582.220285	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+CF3COOH"	132.026685
"1646546"	587.17568	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+CF3COOH"	136.98208
"1583288"	603.14962	"C06089"	"ent-Copalyl diphosphate;(-)-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+CF3COOH"	152.95602
"813653"	272.2504	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M"	0
"989591"	253.23201	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"74334"	180.492990666667	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"510616"	271.243124	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"888417"	89.7428573333333	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"6991"	271.243124	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"452019"	407.368324	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"828731"	135.117924	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"87626"	543.493524	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"527187"	815.743924	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"903894"	271.243124	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"53900"	560.520071	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"495647"	832.770471	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"872357"	288.269671	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"41355"	565.475466	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"477635"	837.725866	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"853250"	293.225066	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1620595"	293.225066	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"101497"	289.231463	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"542150"	425.356663	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"930197"	153.106263	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"268754"	579.470202	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"666644"	851.720602	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1281236"	307.219802	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"27072"	581.449406	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"458980"	853.699806	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"838968"	309.199006	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1560269"	309.199006	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"947056"	317.248594	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"365274"	589.499001	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"349159"	603.514651	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1502367"	331.264251	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960065"	339.230551	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"118816"	307.219802	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"555095"	443.345002	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1031551"	171.094602	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1246754"	351.169285	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1312490"	353.225272	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1333998"	375.207229	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"921045"	385.235986	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1296660"	421.212664	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1373726"	237.237724	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1394505"	255.2477	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"289817"	545.508076	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"687706"	817.758476	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1364424"	273.257676	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H"	1.007276
"138037"	273.257676	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"575409"	409.382876	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1049675"	137.132476	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"217575"	182.507542666667	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"658228"	273.257676	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1175261"	91.7574093333333	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"436347"	562.534623	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"789693"	834.785023	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1686023"	290.284223	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"334666"	281.7709495	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"733284"	417.8961495	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1488927"	145.6457495	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"405419"	567.490018	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"766779"	839.740418	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1608317"	295.239618	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"318355"	284.248647	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"712961"	420.373847	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1461961"	148.123447	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1053706"	99.0847233333333	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1264999"	305.283886	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"385758"	583.463958	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"748939"	855.714358	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1548806"	311.213558	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+K"	38.963158
"303800"	292.235617	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"695125"	428.360817	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1450050"	156.110417	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"243026"	586.534626	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1211362"	314.284226	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1197432"	157.645751	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"189207"	589.47196	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"630955"	861.72236	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1133367"	317.22156	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"173130"	295.239618	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"614157"	431.364818	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1120820"	159.114418	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1398470"	106.412037333333	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1440475"	319.263146	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"226159"	300.27264	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1509846"	333.31519	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"410626"	303.226588	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"774901"	439.351788	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1667953"	167.101388	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"257753"	608.516568	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1229369"	336.266168	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1718253"	336.289693	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1187981"	113.739351333333	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1655687"	341.245088	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"165829"	621.41984	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"606484"	893.67024	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1094277"	349.16944	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"149999"	311.213558	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"588466"	447.338758	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1077352"	175.088358	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1112750"	351.183992	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1348041"	351.271607	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1015478"	355.310776	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1532515"	356.304408	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"997868"	178.159026	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1593467"	357.219028	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1421314"	387.250538	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1148690"	198.672301	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1698969"	404.277085	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1648843"	409.23248	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1583398"	425.20642	"C06090"	"ent-Kaurene;ent-Kaur-16-ene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"813762"	645.3149	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M"	0
"980734"	626.29651	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-H2O-H"	-19.01839
"72257"	429.202657333333	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M-3H"	-3.021828
"510724"	644.307624	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M-3H"	-3.021828
"889619"	214.097690666667	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-3H"	-3.021828
"6007"	644.307624	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M-2H"	-2.014552
"448848"	966.965074	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M-2H"	-2.014552
"831756"	321.650174	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-2H"	-2.014552
"88829"	1289.622524	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M-H"	-1.007276
"528390"	1934.937424	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M-H"	-1.007276
"904004"	644.307624	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-H"	-1.007276
"52917"	1306.649071	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M-2H+NH4"	16.019271
"494664"	1951.963971	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M-2H+NH4"	16.019271
"875747"	661.334171	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-2H+NH4"	16.019271
"38185"	1311.604466	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M-2H+Na"	20.974666
"477744"	1956.919366	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M-2H+Na"	20.974666
"856640"	666.289566	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-2H+Na"	20.974666
"1621797"	666.289566	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Na-2H"	20.974666
"102700"	662.295963	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M-H+Cl"	33.962126
"543353"	984.953413	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M-H+Cl"	33.962126
"932493"	339.638513	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-H+Cl"	33.962126
"271050"	1325.599202	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+Cl"	34.969402
"667847"	1970.914102	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+Cl"	34.969402
"1284625"	680.284302	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Cl"	34.969402
"28275"	1327.578406	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M-2H+K"	36.948606
"462370"	1972.893306	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M-2H+K"	36.948606
"843451"	682.263506	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-2H+K"	36.948606
"1566939"	682.263506	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+K-2H"	36.948606
"948260"	690.313094	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-H+HCOOH"	44.998194
"368664"	1335.628001	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+HCOOH-H"	44.998201
"350362"	1349.643651	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+Hac-H"	59.013851
"1502477"	704.328751	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Hac-H"	59.013851
"961997"	712.295051	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-H+NaCOOH"	66.980151
"118926"	680.284302	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+2Cl"	69.938804
"555205"	1002.941752	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+2Cl"	69.938804
"1031661"	357.626852	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2Cl"	69.938804
"1250144"	724.233785	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Br"	78.918885
"1313692"	726.289772	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Cl+HCOOH"	80.974872
"1332284"	748.271729	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Cl+NaCOOH"	102.956829
"921884"	758.300486	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M-H+CF3COOH"	112.985586
"1298592"	794.277164	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Cl+CF3COOH"	148.962264
"1374929"	610.302224	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H-2H2O"	-35.012676
"1391335"	628.3122	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H-H2O"	-17.0027
"291020"	1291.637076	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+H"	1.007276
"685627"	1936.951976	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+H"	1.007276
"1363075"	646.322176	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H"	1.007276
"134866"	646.322176	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+2H"	2.014552
"576612"	968.979626	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+2H"	2.014552
"1046505"	323.664726	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2H"	2.014552
"216957"	431.217209333333	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+3H"	3.021828
"657610"	646.322176	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+3H"	3.021828
"1176101"	216.112242666667	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+3H"	3.021828
"436457"	1308.663623	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+NH4"	18.033823
"795270"	1953.978523	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+NH4"	18.033823
"1691601"	663.348723	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+NH4"	18.033823
"335506"	654.8354495	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+H+NH4"	19.041099
"736676"	977.4928995	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+H+NH4"	19.041099
"1490861"	332.1779995	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H+NH4"	19.041099
"408480"	1313.619018	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+Na"	22.989218
"766160"	1958.933918	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+Na"	22.989218
"1613894"	668.304118	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Na"	22.989218
"319558"	657.313147	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+H+Na"	23.996494
"716352"	979.970597	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+H+Na"	23.996494
"1461422"	334.655697	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H+Na"	23.996494
"1053209"	223.439556666667	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2H+Na"	25.00377
"1259270"	678.348386	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+CH3OH+H"	33.033486
"378693"	1329.592958	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+K"	38.963158
"742486"	1974.907858	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+K"	38.963158
"1546728"	684.278058	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+K"	38.963158
"304997"	665.300117	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+H+K"	39.970434
"696329"	987.957567	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+H+K"	39.970434
"1450160"	342.642667	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H+K"	39.970434
"243136"	1332.663626	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+ACN+H"	42.033826
"1212565"	687.348726	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+ACN+H"	42.033826
"1197542"	344.178001	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+ACN+2H"	43.041102
"190411"	1335.60096	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+2Na-H"	44.97116
"629971"	1980.91586	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+2Na-H"	44.97116
"1138943"	690.28606	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2Na-H"	44.97116
"173119"	668.304118	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+2Na"	45.978436
"614146"	990.961568	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+2Na"	45.978436
"1120930"	345.646668	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2Na"	45.978436
"1398617"	230.766870666667	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H+2Na"	46.985712
"1439855"	692.327646	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H+HCOOH"	47.012746
"224081"	673.33714	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+3H2O+2H"	56.04448
"1509956"	706.37969	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+IsoProp+H"	61.06479
"414016"	676.291088	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+Na+K"	61.952376
"776104"	998.948538	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+Na+K"	61.952376
"1668063"	353.633638	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Na+K"	61.952376
"257863"	1354.645568	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+ACN+Na"	64.015768
"1229477"	709.330668	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+ACN+Na"	64.015768
"1719456"	709.354193	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+NH4+HCOOH"	64.039293
"1185904"	238.094184666667	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+3Na"	68.967654
"1655796"	714.309588	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Na+HCOOH"	68.994688
"161565"	1367.54884	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+2K-H"	76.91904
"607687"	2012.86374	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+2K-H"	76.91904
"1092199"	722.23394	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2K-H"	76.91904
"147921"	684.278058	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"2M+2K"	77.926316
"588575"	1006.935508	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"3M+2K"	77.926316
"1076369"	361.620608	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2K"	77.926316
"1107390"	724.248492	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2K+H"	78.933592
"1350338"	724.336107	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+DMSO+H"	79.021207
"1012307"	728.375276	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2ACN+H"	83.060376
"1533718"	729.368908	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+IsoProp+Na+H"	84.054008
"999071"	364.691276	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+2ACN+2H"	84.067652
"1591390"	730.283528	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+K+HCOOH"	84.968628
"1418144"	760.315038	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+H+CF3COOH"	115.000138
"1148800"	385.204551	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+3ACN+2H"	125.094202
"1698715"	777.341585	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+NH4+CF3COOH"	132.026685
"1648590"	782.29698	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+Na+CF3COOH"	136.98208
"1583508"	798.27092	"C06091"	"Aconitine"	"C34H47NO11"	"645.3149"	"M+K+CF3COOH"	152.95602
"811686"	343.2511	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M"	0
"983031"	324.23271	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-H2O-H"	-19.01839
"74554"	227.826790666667	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M-3H"	-3.021828
"510836"	342.243824	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M-3H"	-3.021828
"890823"	113.409757333333	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-3H"	-3.021828
"12678"	342.243824	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M-2H"	-2.014552
"451145"	513.869374	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M-2H"	-2.014552
"832235"	170.618274	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-2H"	-2.014552
"87846"	685.494924	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M-H"	-1.007276
"527407"	1028.746024	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M-H"	-1.007276
"906301"	342.243824	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-H"	-1.007276
"53027"	702.521471	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M-2H+NH4"	16.019271
"494774"	1045.772571	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M-2H+NH4"	16.019271
"876586"	359.270371	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-2H+NH4"	16.019271
"38295"	707.476866	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M-2H+Na"	20.974666
"477854"	1050.727966	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M-2H+Na"	20.974666
"856750"	364.225766	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-2H+Na"	20.974666
"1625187"	364.225766	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Na-2H"	20.974666
"108764"	360.232163	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M-H+Cl"	33.962126
"543463"	531.857713	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M-H+Cl"	33.962126
"939163"	188.606613	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-H+Cl"	33.962126
"276625"	721.471602	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+Cl"	34.969402
"667957"	1064.722702	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+Cl"	34.969402
"1284735"	378.220502	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Cl"	34.969402
"28021"	723.450806	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M-2H+K"	36.948606
"467947"	1066.701906	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M-2H+K"	36.948606
"847207"	380.199706	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-2H+K"	36.948606
"1567049"	380.199706	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+K-2H"	36.948606
"953837"	388.249294	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-H+HCOOH"	44.998194
"372052"	731.500401	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+HCOOH-H"	44.998201
"350836"	745.516051	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+Hac-H"	59.013851
"1504774"	402.264951	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Hac-H"	59.013851
"963566"	410.231251	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-H+NaCOOH"	66.980151
"117943"	378.220502	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+2Cl"	69.938804
"556409"	549.846052	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+2Cl"	69.938804
"1029583"	206.594952	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2Cl"	69.938804
"1248067"	422.169985	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Br"	78.918885
"1314894"	424.225972	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Cl+HCOOH"	80.974872
"1332030"	446.207929	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Cl+NaCOOH"	102.956829
"920901"	456.236686	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M-H+CF3COOH"	112.985586
"1301983"	492.213364	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Cl+CF3COOH"	148.962264
"1377226"	308.238424	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H-2H2O"	-35.012676
"1392534"	326.2484	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H-H2O"	-17.0027
"292222"	687.509476	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+H"	1.007276
"682457"	1030.760576	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+H"	1.007276
"1361362"	344.258376	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H"	1.007276
"133883"	344.258376	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+2H"	2.014552
"575629"	515.883926	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+2H"	2.014552
"1043335"	172.632826	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2H"	2.014552
"217795"	229.841342666667	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+3H"	3.021828
"657720"	344.258376	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+3H"	3.021828
"1177182"	115.424309333333	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+3H"	3.021828
"435474"	704.536023	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+NH4"	18.033823
"793193"	1047.787123	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+NH4"	18.033823
"1694991"	361.284923	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+NH4"	18.033823
"338895"	352.7716495	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+H+NH4"	19.041099
"737514"	524.3971995	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+H+NH4"	19.041099
"1491334"	181.1460995	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H+NH4"	19.041099
"408079"	709.491418	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+Na"	22.989218
"768823"	1052.742518	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+Na"	22.989218
"1616190"	366.240318	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Na"	22.989218
"328414"	355.249347	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+H+Na"	23.996494
"720835"	526.874897	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+H+Na"	23.996494
"1461854"	183.623797	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H+Na"	23.996494
"1053683"	122.751623333333	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2H+Na"	25.00377
"1259380"	376.284586	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+CH3OH+H"	33.033486
"377629"	725.465358	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+K"	38.963158
"739557"	1068.716458	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+K"	38.963158
"1545746"	382.214258	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+K"	38.963158
"301461"	363.236317	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+H+K"	39.970434
"696073"	534.861867	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+H+K"	39.970434
"1452457"	191.610767	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H+K"	39.970434
"248714"	728.536026	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+ACN+H"	42.033826
"1211582"	385.284926	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+ACN+H"	42.033826
"1198745"	193.146101	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+ACN+2H"	43.041102
"198175"	731.47336	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+2Na-H"	44.97116
"634456"	1074.72446	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+2Na-H"	44.97116
"1141240"	388.22226	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2Na-H"	44.97116
"174814"	366.240318	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+2Na"	45.978436
"614498"	537.865868	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+2Na"	45.978436
"1123227"	194.614768	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2Na"	45.978436
"1398847"	130.078937333333	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H+2Na"	46.985712
"1438872"	390.263846	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H+HCOOH"	47.012746
"227471"	371.27334	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+3H2O+2H"	56.04448
"1510066"	404.31589	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+IsoProp+H"	61.06479
"417406"	374.227288	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+Na+K"	61.952376
"776214"	545.852838	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+Na+K"	61.952376
"1671453"	202.601738	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Na+K"	61.952376
"257973"	750.517968	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+ACN+Na"	64.015768
"1232868"	407.266868	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+ACN+Na"	64.015768
"1720660"	407.290393	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+NH4+HCOOH"	64.039293
"1188201"	137.406251333333	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+3Na"	68.967654
"1658093"	412.245788	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Na+HCOOH"	68.994688
"167143"	763.42124	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+2K-H"	76.91904
"607797"	1106.67234	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+2K-H"	76.91904
"1092309"	420.17014	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2K-H"	76.91904
"148031"	382.214258	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"2M+2K"	77.926316
"588685"	553.839808	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"3M+2K"	77.926316
"1073198"	210.588708	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2K"	77.926316
"1106406"	422.184692	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2K+H"	78.933592
"1348138"	422.272307	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+DMSO+H"	79.021207
"1014604"	426.311476	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2ACN+H"	83.060376
"1534922"	427.305108	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+IsoProp+Na+H"	84.054008
"1000275"	213.659376	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+2ACN+2H"	84.067652
"1594780"	428.219728	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+K+HCOOH"	84.968628
"1421532"	458.251238	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+H+CF3COOH"	115.000138
"1149639"	234.172651	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+3ACN+2H"	125.094202
"1697732"	475.277785	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+NH4+CF3COOH"	132.026685
"1649430"	480.23318	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+Na+CF3COOH"	136.98208
"1583618"	496.20712	"C06092"	"Veatchine"	"C22H33NO2"	"343.2511"	"M+K+CF3COOH"	152.95602
"816417"	316.2038	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M"	0
"988611"	297.18541	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"74664"	209.795257333333	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"512038"	315.196524	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"889840"	104.393990666667	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"9509"	315.196524	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"451255"	473.298424	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"826870"	157.094624	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"86862"	631.400324	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"528610"	947.604124	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"904224"	315.196524	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"52043"	648.426871	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"491604"	964.630671	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"871592"	332.223071	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"39498"	653.382266	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"483431"	969.586066	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"855766"	337.178466	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1625296"	337.178466	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"102920"	333.184863	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"543573"	491.286763	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"938179"	175.082963	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"276737"	667.377002	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"668067"	983.580802	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1283752"	351.173202	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"27404"	669.356206	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"467694"	985.560006	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"846225"	353.152406	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1567159"	353.152406	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"953947"	361.201994	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"374348"	677.405801	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"357874"	691.421451	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1504521"	375.217651	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"968051"	383.183951	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"120240"	351.173202	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"556519"	509.275102	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1028598"	193.071302	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1251457"	395.122685	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1313911"	397.178672	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1329952"	419.160629	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"922468"	429.189386	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1301365"	465.166064	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1378429"	281.191124	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1391550"	299.2011	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"290145"	633.414876	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"683660"	949.618676	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1358914"	317.211076	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"132899"	317.211076	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"575739"	475.312976	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1046725"	159.109176	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"214625"	211.809809333333	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"658562"	317.211076	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1177779"	106.408542666667	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"434490"	650.441423	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"792210"	966.645223	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1690727"	334.237623	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"337913"	325.7243495	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"731428"	483.8262495	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1491446"	167.6224495	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"394448"	655.396818	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"767111"	971.600618	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1614112"	339.193018	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"325243"	328.202047	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"718759"	486.303947	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1461365"	170.100147	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1053020"	113.735856666667	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1259490"	349.237286	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"377495"	671.370758	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"739425"	987.574558	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1542576"	355.166958	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"301205"	336.189017	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"696183"	494.290917	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1455846"	178.087117	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"250404"	674.441426	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1225546"	358.237626	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1208330"	179.622451	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"203512"	677.37876	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"642952"	993.58256	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1142444"	361.17496	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"179177"	339.193018	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"617646"	497.294918	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1123337"	181.091118	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1401393"	121.063170666667	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1440075"	363.216546	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"227581"	344.22604	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1513456"	377.26859	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"417516"	347.179988	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"781791"	505.281888	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1674843"	189.078088	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"262457"	696.423368	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1235166"	380.219568	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1725144"	380.243093	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1188311"	128.390484666667	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1658204"	385.198488	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"169440"	709.32664	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"611187"	1025.53044	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1095699"	393.12284	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"151423"	355.166958	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"592077"	513.268858	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1079870"	197.065058	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1114050"	395.137392	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1347276"	395.225007	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1019088"	399.264176	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1535027"	400.257808	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"1000387"	200.135726	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1594891"	401.172428	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1421645"	431.203938	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1150844"	220.649001	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1708052"	448.230485	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1646621"	453.18588	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1583728"	469.15982	"C06093"	"Gibberellin A12 aldehyde"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"812999"	348.1937	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M"	0
"978877"	329.17531	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-H2O-H"	-19.01839
"72588"	231.121857333333	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M-3H"	-3.021828
"504494"	347.186424	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M-3H"	-3.021828
"886670"	115.057290666667	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-3H"	-3.021828
"3059"	347.186424	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M-2H"	-2.014552
"448085"	521.283274	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M-2H"	-2.014552
"824793"	173.089574	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-2H"	-2.014552
"84785"	695.380124	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M-H"	-1.007276
"526533"	1043.573824	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M-H"	-1.007276
"903241"	347.186424	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-H"	-1.007276
"48142"	712.406671	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M-2H+NH4"	16.019271
"490618"	1060.600371	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M-2H+NH4"	16.019271
"865502"	364.212971	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-2H+NH4"	16.019271
"39607"	717.362066	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M-2H+Na"	20.974666
"476250"	1065.555766	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M-2H+Na"	20.974666
"855875"	369.168366	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-2H+Na"	20.974666
"1622127"	369.168366	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Na-2H"	20.974666
"95739"	365.174763	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M-H+Cl"	33.962126
"535298"	539.271613	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M-H+Cl"	33.962126
"929542"	191.077913	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-H+Cl"	33.962126
"274659"	731.356802	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+Cl"	34.969402
"664894"	1079.550502	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+Cl"	34.969402
"1283861"	383.163102	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Cl"	34.969402
"26419"	733.336006	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M-2H+K"	36.948606
"463793"	1081.529706	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M-2H+K"	36.948606
"842688"	385.142306	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-2H+K"	36.948606
"1568727"	385.142306	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+K-2H"	36.948606
"954057"	393.191894	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-H+HCOOH"	44.998194
"373365"	741.385601	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+HCOOH-H"	44.998201
"356161"	755.401251	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+Hac-H"	59.013851
"1502808"	407.207551	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Hac-H"	59.013851
"968161"	415.173851	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-H+NaCOOH"	66.980151
"119986"	383.163102	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+2Cl"	69.938804
"555535"	557.259952	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+2Cl"	69.938804
"1028708"	209.066252	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2Cl"	69.938804
"1249380"	427.112585	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Br"	78.918885
"1311834"	429.168572	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Cl+HCOOH"	80.974872
"1330426"	451.150529	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Cl+NaCOOH"	102.956829
"921483"	461.179286	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M-H+CF3COOH"	112.985586
"1299287"	497.155964	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Cl+CF3COOH"	148.962264
"1378175"	313.181024	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H-2H2O"	-35.012676
"1391660"	331.191	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H-H2O"	-17.0027
"286975"	697.394676	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+H"	1.007276
"680490"	1045.588376	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+H"	1.007276
"1355744"	349.200976	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H"	1.007276
"135195"	349.200976	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+2H"	2.014552
"575849"	523.297826	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+2H"	2.014552
"1044648"	175.104126	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2H"	2.014552
"211455"	233.136409333333	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+3H"	3.021828
"653201"	349.200976	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+3H"	3.021828
"1177525"	117.071842666667	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+3H"	3.021828
"433507"	714.421223	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+NH4"	18.033823
"789037"	1062.614923	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+NH4"	18.033823
"1686462"	366.227523	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+NH4"	18.033823
"332556"	357.7142495	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+H+NH4"	19.041099
"723275"	531.8110995	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+H+NH4"	19.041099
"1482077"	183.6173995	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H+NH4"	19.041099
"394196"	719.376618	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+Na"	22.989218
"762845"	1067.570318	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+Na"	22.989218
"1607662"	371.182918	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Na"	22.989218
"323166"	360.191947	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+H+Na"	23.996494
"710122"	534.288797	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+H+Na"	23.996494
"1461629"	186.095097	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H+Na"	23.996494
"1053172"	124.399156666667	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2H+Na"	25.00377
"1258495"	381.227186	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+CH3OH+H"	33.033486
"377216"	735.350558	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+K"	38.963158
"738678"	1083.544258	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+K"	38.963158
"1541590"	387.156858	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+K"	38.963158
"298961"	368.178917	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+H+K"	39.970434
"694106"	542.275767	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+H+K"	39.970434
"1454863"	194.082067	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H+K"	39.970434
"248933"	738.421226	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+ACN+H"	42.033826
"1224920"	390.227526	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+ACN+H"	42.033826
"1206617"	195.617401	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+ACN+2H"	43.041102
"199490"	741.35856	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+2Na-H"	44.97116
"640144"	1089.55226	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+2Na-H"	44.97116
"1139275"	393.16486	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2Na-H"	44.97116
"177100"	371.182918	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+2Na"	45.978436
"617752"	545.279768	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+2Na"	45.978436
"1117250"	197.086068	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2Na"	45.978436
"1401504"	131.726470666667	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H+2Na"	46.985712
"1439092"	395.206446	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H+HCOOH"	47.012746
"227691"	376.21594	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+3H2O+2H"	56.04448
"1510650"	409.25849	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+IsoProp+H"	61.06479
"411064"	379.169888	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+Na+K"	61.952376
"780808"	553.266738	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+Na+K"	61.952376
"1674953"	205.073038	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Na+K"	61.952376
"263660"	760.403168	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+ACN+Na"	64.015768
"1236368"	412.209468	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+ACN+Na"	64.015768
"1723066"	412.232993	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+NH4+HCOOH"	64.039293
"1187327"	139.053784666667	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+3Na"	68.967654
"1660500"	417.188388	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Na+HCOOH"	68.994688
"170643"	773.30644	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+2K-H"	76.91904
"608017"	1121.50014	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+2K-H"	76.91904
"1095809"	425.11274	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2K-H"	76.91904
"151533"	387.156858	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"2M+2K"	77.926316
"590000"	561.253708	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"3M+2K"	77.926316
"1079980"	213.060008	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2K"	77.926316
"1114039"	427.127292	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2K+H"	78.933592
"1348479"	427.214907	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+DMSO+H"	79.021207
"1017012"	431.254076	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2ACN+H"	83.060376
"1532950"	432.247708	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+IsoProp+Na+H"	84.054008
"997217"	216.130676	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+2ACN+2H"	84.067652
"1592814"	433.162328	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+K+HCOOH"	84.968628
"1418475"	463.193838	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+H+CF3COOH"	115.000138
"1149132"	236.643951	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+3ACN+2H"	125.094202
"1708162"	480.220385	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+NH4+CF3COOH"	132.026685
"1646002"	485.17578	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+Na+CF3COOH"	136.98208
"1583838"	501.14972	"C06094"	"Gibberellin A53"	"C20H28O5"	"348.1937"	"M+K+CF3COOH"	152.95602
"812016"	364.1886	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M"	0
"980080"	345.17021	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"72698"	241.785124	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"505696"	363.181324	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"881311"	120.388924	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"3531"	363.181324	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"442726"	545.275624	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"822715"	181.087024	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"84895"	727.369924	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"526644"	1091.558524	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"898612"	363.181324	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"49708"	744.396471	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"489635"	1108.585071	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"865612"	380.207871	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"40810"	749.351866	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"476360"	1113.540466	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"855985"	385.163266	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1622237"	385.163266	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"96213"	381.169663	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"535408"	563.263963	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"930745"	199.075363	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"274769"	763.346602	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"667191"	1127.535202	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1283971"	399.158002	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"26529"	765.325806	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"466090"	1129.514406	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"845716"	401.137206	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1567379"	401.137206	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"955260"	409.186794	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"373475"	773.375401	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"352991"	787.391051	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1503647"	423.202451	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"967178"	431.168751	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"117179"	399.158002	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"555645"	581.252302	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1028818"	217.063702	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1247304"	443.107485	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1311943"	445.163472	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1328349"	467.145429	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"918313"	477.174186	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1299397"	513.150864	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1380108"	329.175924	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1392865"	347.1859	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"288178"	729.384476	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"680600"	1093.573076	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1355854"	365.195876	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"134941"	365.195876	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"575231"	547.290176	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1044758"	183.101576	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"216304"	243.799676	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"655498"	365.195876	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1175448"	122.403476	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"431430"	746.411023	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"789148"	1110.599623	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1686572"	382.222423	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"332666"	373.7091495	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"723384"	555.8034495	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1480000"	191.6148495	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"392872"	751.366418	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"757122"	1115.555018	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1604976"	387.177818	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"326192"	376.186847	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"710232"	558.281147	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1462230"	194.092547	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1053039"	129.73079	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1257997"	397.222086	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"377383"	767.340358	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"739034"	1131.528958	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1542428"	403.151758	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"298908"	384.173817	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"691902"	566.268117	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1454972"	202.079517	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"245762"	770.411026	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1223936"	406.222426	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1207820"	203.614851	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"196315"	773.34836	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"635879"	1137.53696	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1136103"	409.15976	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"176115"	387.177818	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"612863"	569.272118	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1115813"	205.083518	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1398491"	137.058104	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1437377"	411.201346	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"222333"	392.21084	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1509666"	425.25339	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"410081"	395.164788	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"778730"	577.259088	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1672876"	213.070488	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"260489"	792.392968	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1235385"	428.204368	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1723176"	428.227893	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1186344"	144.385418	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1659517"	433.183288	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"170753"	805.29624	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"607034"	1169.48484	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1094826"	441.10764	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"151643"	403.151758	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"592297"	585.246058	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1078996"	221.057458	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1113177"	443.122192	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1347496"	443.209807	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1017123"	447.248976	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1529780"	448.242608	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"998420"	224.128126	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1590738"	449.157228	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1418585"	479.188738	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1151064"	244.641401	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1708272"	496.215285	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1647205"	501.17068	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1583948"	517.14462	"C06095"	"Gibberellin A44 diacid;Gibberellin A44 open lactone"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"813219"	348.1573	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M"	0
"980190"	329.13891	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"72808"	231.097590666667	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"504714"	347.150024	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"881663"	115.045157333333	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"4370"	347.150024	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"448304"	521.228674	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"823919"	173.071374	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"85006"	695.307324	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"524566"	1043.464624	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"902366"	347.150024	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"52372"	712.333871	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"491931"	1060.491171	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"867179"	364.176571	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"33382"	717.289266	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"471975"	1065.446566	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"849654"	369.131966	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1620158"	369.131966	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"95592"	365.138363	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"535879"	539.217013	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"928667"	191.059713	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"270505"	731.284002	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"666207"	1079.441302	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1278612"	383.126702	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"26638"	733.263206	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"465105"	1081.420506	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"839627"	385.105906	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1560928"	385.105906	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"947716"	393.155494	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"368117"	741.312801	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"349821"	755.328451	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1504121"	407.171151	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"968381"	415.137451	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"120571"	383.126702	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"559037"	557.205352	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1028929"	209.048052	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1249601"	427.076185	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1314239"	429.132172	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1326273"	451.114129	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"919516"	461.142886	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1299507"	497.119564	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1380218"	313.144624	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1390787"	331.1546	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"287195"	697.321876	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"680710"	1045.479176	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1354140"	349.164576	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"134322"	349.164576	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"575705"	523.243226	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1047055"	175.085926	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"214955"	233.112142666667	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"654516"	349.164576	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1176652"	117.059709333333	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"433726"	714.348423	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"790354"	1062.505723	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1683768"	366.191123	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"334963"	357.6778495	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"724102"	531.7564995	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1480111"	183.5991995	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"393927"	719.303818	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"758326"	1067.461118	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1611162"	371.146518	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"319013"	360.155547	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"711435"	534.234197	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1462455"	186.076897	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1053146"	124.387023333333	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1258472"	381.190786	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"377819"	735.277758	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"738653"	1083.435058	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1542173"	387.120458	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"299223"	368.142517	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"692376"	542.221167	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1447405"	194.063867	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"245872"	738.348426	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1223682"	390.191126	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1204648"	195.599201	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"196425"	741.28576	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"638176"	1089.44306	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1136213"	393.12846	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"176225"	371.146518	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"616149"	545.225168	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1116740"	197.067868	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1398920"	131.714337333333	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1437123"	395.170046	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"222078"	376.17954	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1510138"	409.22209	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"409945"	379.133488	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"772279"	553.212138	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1674079"	205.054838	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"260599"	760.330368	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1235495"	412.173068	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1721099"	412.196593	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1186454"	139.041651333333	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1659627"	417.151988	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"171594"	773.23364	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"607144"	1121.39094	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1097123"	425.07634	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"152847"	387.120458	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"591314"	561.199108	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1079107"	213.041808	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1114386"	427.090892	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1349552"	427.178507	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1018326"	431.217676	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1528797"	432.211308	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"995249"	216.112476	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1590845"	433.125928	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1418692"	463.157438	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1151175"	236.625751	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1708382"	480.183985	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1646222"	485.13938	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1584058"	501.11332	"C06096"	"Gibberellin A29"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"814422"	568.428	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M"	0
"983580"	549.40961	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-H2O-H"	-19.01839
"72918"	377.944724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M-3H"	-3.021828
"508104"	567.420724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M-3H"	-3.021828
"888092"	188.468724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-3H"	-3.021828
"7760"	567.420724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M-2H"	-2.014552
"453881"	851.634724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M-2H"	-2.014552
"828403"	283.206724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-2H"	-2.014552
"91677"	1135.848724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M-H"	-1.007276
"526864"	1704.276724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M-H"	-1.007276
"903569"	567.420724	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-H"	-1.007276
"54663"	1152.875271	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M-2H+NH4"	16.019271
"492040"	1721.303271	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M-2H+NH4"	16.019271
"868019"	584.447271	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-2H+NH4"	16.019271
"34099"	1157.830666	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M-2H+Na"	20.974666
"475123"	1726.258666	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M-2H+Na"	20.974666
"851830"	589.402666	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-2H+Na"	20.974666
"1626829"	589.402666	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Na-2H"	20.974666
"101170"	585.409063	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M-H+Cl"	33.962126
"538543"	869.623063	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M-H+Cl"	33.962126
"929142"	301.195063	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-H+Cl"	33.962126
"269886"	1171.825402	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+Cl"	34.969402
"661943"	1740.253402	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+Cl"	34.969402
"1278723"	603.397402	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Cl"	34.969402
"24561"	1173.804606	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M-2H+K"	36.948606
"465215"	1742.232606	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M-2H+K"	36.948606
"839737"	605.376606	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-2H+K"	36.948606
"1557758"	605.376606	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+K-2H"	36.948606
"946733"	613.426194	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-H+HCOOH"	44.998194
"366040"	1181.854201	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+HCOOH-H"	44.998201
"349931"	1195.869851	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+Hac-H"	59.013851
"1497669"	627.441851	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Hac-H"	59.013851
"971772"	635.408151	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-H+NaCOOH"	66.980151
"121773"	603.397402	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+2Cl"	69.938804
"555865"	887.611402	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+2Cl"	69.938804
"1024663"	319.183402	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2Cl"	69.938804
"1252991"	647.346885	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Br"	78.918885
"1312161"	649.402872	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Cl+HCOOH"	80.974872
"1328935"	671.384829	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Cl+NaCOOH"	102.956829
"920720"	681.413586	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M-H+CF3COOH"	112.985586
"1296337"	717.390264	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Cl+CF3COOH"	148.962264
"1375589"	533.415324	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H-2H2O"	-35.012676
"1385793"	551.4253	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H-H2O"	-17.0027
"287305"	1137.863276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+H"	1.007276
"678995"	1706.291276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+H"	1.007276
"1354251"	569.435276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H"	1.007276
"128960"	569.435276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+2H"	2.014552
"572898"	853.649276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+2H"	2.014552
"1046070"	285.221276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2H"	2.014552
"207410"	379.959276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+3H"	3.021828
"648064"	569.435276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+3H"	3.021828
"1173480"	190.483276	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+3H"	3.021828
"431649"	1154.889823	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+NH4"	18.033823
"788274"	1723.317823	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+NH4"	18.033823
"1684968"	586.461823	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+NH4"	18.033823
"332885"	577.9485495	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+H+NH4"	19.041099
"723722"	862.1625495	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+H+NH4"	19.041099
"1477421"	293.7345495	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H+NH4"	19.041099
"393796"	1159.845218	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+Na"	22.989218
"757342"	1728.273218	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+Na"	22.989218
"1607992"	591.417218	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Na"	22.989218
"320215"	580.426247	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+H+Na"	23.996494
"713732"	864.640247	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+H+Na"	23.996494
"1463540"	296.212247	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H+Na"	23.996494
"1053258"	197.81059	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2H+Na"	25.00377
"1257284"	601.461486	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+CH3OH+H"	33.033486
"377483"	1175.819158	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+K"	38.963158
"738723"	1744.247158	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+K"	38.963158
"1542284"	607.391158	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+K"	38.963158
"299819"	588.413217	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+H+K"	39.970434
"692244"	872.627217	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+H+K"	39.970434
"1446791"	304.199217	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H+K"	39.970434
"247076"	1178.889826	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+ACN+H"	42.033826
"1224522"	610.461826	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+ACN+H"	42.033826
"1202571"	305.734551	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+ACN+2H"	43.041102
"196535"	1181.82716	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+2Na-H"	44.97116
"641566"	1750.25516	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+2Na-H"	44.97116
"1135230"	613.39916	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2Na-H"	44.97116
"177428"	591.417218	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+2Na"	45.978436
"618082"	875.631218	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+2Na"	45.978436
"1118673"	307.203218	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2Na"	45.978436
"1399766"	205.137904	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H+2Na"	46.985712
"1432493"	615.440746	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H+HCOOH"	47.012746
"222188"	596.45024	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+3H2O+2H"	56.04448
"1509884"	629.49279	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+IsoProp+H"	61.06479
"412487"	599.404188	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+Na+K"	61.952376
"773482"	883.618188	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+Na+K"	61.952376
"1675283"	315.190188	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Na+K"	61.952376
"257791"	1200.871768	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+ACN+Na"	64.015768
"1234875"	632.443768	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+ACN+Na"	64.015768
"1720116"	632.467293	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+NH4+HCOOH"	64.039293
"1185471"	212.465218	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+3Na"	68.967654
"1659737"	637.422688	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Na+HCOOH"	68.994688
"169516"	1213.77504	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+2K-H"	76.91904
"608348"	1782.20304	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+2K-H"	76.91904
"1091766"	645.34704	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2K-H"	76.91904
"154050"	607.391158	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"2M+2K"	77.926316
"591424"	891.605158	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"3M+2K"	77.926316
"1080310"	323.177158	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2K"	77.926316
"1114862"	647.361592	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2K+H"	78.933592
"1350391"	647.449207	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+DMSO+H"	79.021207
"1017342"	651.488376	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2ACN+H"	83.060376
"1533282"	652.482008	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+IsoProp+Na+H"	84.054008
"997548"	326.247826	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+2ACN+2H"	84.067652
"1590590"	653.396628	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+K+HCOOH"	84.968628
"1416615"	683.428138	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+H+CF3COOH"	115.000138
"1151285"	346.761101	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+3ACN+2H"	125.094202
"1708492"	700.454685	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+NH4+CF3COOH"	132.026685
"1645238"	705.41008	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+Na+CF3COOH"	136.98208
"1584168"	721.38402	"C06098"	"Zeaxanthin"	"C40H56O2"	"568.428"	"M+K+CF3COOH"	152.95602
"814532"	136.1252	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M"	0
"980411"	117.10681	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"69747"	89.7428573333333	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"503594"	135.117924	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"886016"	44.3677906666667	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"6777"	135.117924	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"448524"	203.180524	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"825233"	67.055324	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"87413"	271.243124	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"529160"	407.368324	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"902586"	135.117924	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"50764"	288.269671	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"492514"	424.394871	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"867399"	152.144471	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"32631"	293.225066	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"475233"	429.350266	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"851940"	157.099866	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1623659"	157.099866	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"99093"	153.106263	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"537560"	221.168863	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"929616"	85.043663	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"269996"	307.219802	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"661930"	443.345002	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1278833"	171.094602	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"25764"	309.199006	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"463137"	445.324206	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"840940"	173.073806	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1557868"	173.073806	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"946843"	181.123394	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"366150"	317.248601	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"350041"	331.264251	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1495592"	195.139051	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"971882"	203.105351	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"122976"	171.094602	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"555975"	239.157202	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1024773"	103.032002	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1253101"	215.044085	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1314457"	217.100072	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1328677"	239.082029	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"917548"	249.110786	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1295351"	285.087464	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1369138"	101.112524	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1389180"	119.1225	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"286321"	273.257676	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"679834"	409.382876	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1353996"	137.132476	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H"	1.007276
"128341"	137.132476	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"566810"	205.195076	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1040713"	69.069876	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"207520"	91.7574093333333	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"649267"	137.132476	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1170674"	46.3823426666667	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"426291"	290.284223	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"787656"	426.409423	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1685079"	154.159023	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"331172"	145.6457495	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"723228"	213.7083495	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1477412"	77.5831495	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"393907"	295.239618	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"756729"	431.364818	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1603043"	159.114418	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"319233"	148.123447	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"711654"	216.186047	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462556"	80.060847	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1052832"	53.7096566666667	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1257126"	169.158686	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"377308"	311.213558	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"738602"	447.338758	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1542027"	175.088358	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+K"	38.963158
"298683"	156.110417	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"691990"	224.173017	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1445886"	88.047817	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"236715"	314.284226	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1213327"	178.159026	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1202681"	89.583151	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"191905"	317.22156	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"632561"	453.34676	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1135702"	181.09636	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"173522"	159.114418	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"615275"	227.177018	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1115756"	91.051818	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1399874"	61.0369706666667	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1432603"	183.137946	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"222298"	164.14744	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1509506"	197.18999	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"412597"	167.101388	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"774685"	235.163988	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1669194"	99.038788	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"255714"	336.266168	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1229517"	200.140968	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1720226"	200.164493	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1185215"	68.3642846666667	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1658754"	205.119888	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"169626"	349.16944	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"608458"	485.29464	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1090783"	213.04424	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"153067"	175.088358	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"591534"	243.150958	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1079327"	107.025758	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1114360"	215.058792	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1350014"	215.146407	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1016359"	219.185576	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1532299"	220.179208	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"997658"	110.096426	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1591065"	221.093828	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1416727"	251.125338	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1151395"	130.609701	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1708602"	268.151885	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1646442"	273.10728	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1584278"	289.08122	"C06099"	"d-Limonene;()-Limonene;()-(R)-Limonene;()-(4R)-Limonene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"813549"	130.063	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M"	0
"980521"	111.04461	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"70950"	85.7013906666667	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"506138"	129.055724	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"893417"	42.3470573333333	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"11991"	129.055724	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"450822"	194.087224	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"829354"	64.024224	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"89713"	259.118724	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"530366"	389.181724	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"905978"	129.055724	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"59259"	276.145271	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"494447"	406.208271	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"866785"	146.082271	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"31769"	281.100666	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"475343"	411.163666	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"852050"	151.037666	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1625956"	151.037666	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"99203"	147.044063	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"538764"	212.075563	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"930092"	82.012563	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"274116"	295.095402	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"668724"	425.158402	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1282224"	165.032402	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"26968"	297.074606	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"467622"	427.137606	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"839957"	167.011606	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1564539"	167.011606	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"948046"	175.061194	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"365167"	305.124201	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"359629"	319.139851	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1503358"	189.076851	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"970900"	197.043151	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"118715"	165.032402	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"564836"	230.063902	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1029258"	100.000902	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1249934"	208.981885	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1313474"	211.037872	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1328787"	233.019829	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"917658"	243.048586	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1294368"	279.025264	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1369247"	95.050324	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1386376"	113.0603	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"284608"	261.133276	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"677391"	391.196276	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1353740"	131.070276	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H"	1.007276
"128451"	131.070276	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"569838"	196.101776	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1041915"	66.038776	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"207632"	87.7159426666667	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"646461"	131.070276	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1165319"	44.3616093333333	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"426766"	278.159823	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"790685"	408.222823	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1685556"	148.096823	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"332378"	139.5835495	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"724798"	204.6150495	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1478130"	74.5520495	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"394013"	283.115218	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"754398"	413.178218	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1602905"	153.052218	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"317521"	142.061247	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"710670"	207.092747	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1461567"	77.029747	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1052907"	51.6889233333333	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1257708"	163.096486	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"377136"	299.089158	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"738975"	429.152158	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1541407"	169.026158	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+K"	38.963158
"298822"	150.048217	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"691815"	215.079717	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1445915"	85.016717	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"236705"	302.159826	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1213437"	172.096826	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1195493"	86.552051	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"191651"	305.09716	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"631943"	435.16016	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1135448"	175.03416	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"173392"	153.052218	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"612947"	218.083718	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1115783"	88.020718	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1398768"	59.0162373333333	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1434900"	177.075746	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"225324"	158.08524	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1508684"	191.12779	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"411978"	161.039188	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"773702"	226.070688	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1667482"	96.007688	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"255825"	324.141768	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1232543"	194.078768	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1720336"	194.102293	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1185689"	66.3435513333333	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1661051"	199.057688	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"167913"	337.04504	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"607476"	467.10804	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1091988"	206.98204	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"148805"	169.026158	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"585448"	234.057658	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1077252"	103.994658	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1110460"	208.996592	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1347940"	209.084207	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1012098"	213.123376	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1533503"	214.117008	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"997768"	107.065326	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1591178"	215.031628	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1417200"	245.063138	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1154787"	127.578601	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1708712"	262.089685	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1647645"	267.04508	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1584388"	283.01902	"C06102"	"Adipate semialdehyde;Hexan-1-one-6-carboxylate;6-Oxohexanoate;6-Oxohexanoic acid"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"814756"	132.0786	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M"	0
"980632"	113.06021	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-H2O-H"	-19.01839
"67780"	87.045124	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M-3H"	-3.021828
"506251"	131.071324	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M-3H"	-3.021828
"882959"	43.018924	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-3H"	-3.021828
"4814"	131.071324	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M-2H"	-2.014552
"449842"	197.110624	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M-2H"	-2.014552
"819992"	65.032024	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-2H"	-2.014552
"83265"	263.149924	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M-H"	-1.007276
"527929"	395.228524	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M-H"	-1.007276
"907182"	131.071324	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-H"	-1.007276
"56089"	280.176471	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M-2H+NH4"	16.019271
"489094"	412.255071	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M-2H+NH4"	16.019271
"865071"	148.097871	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-2H+NH4"	16.019271
"34801"	285.131866	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M-2H+Na"	20.974666
"475454"	417.210466	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M-2H+Na"	20.974666
"849972"	153.053266	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-2H+Na"	20.974666
"1621693"	153.053266	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Na-2H"	20.974666
"101499"	149.059663	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M-H+Cl"	33.962126
"537781"	215.098963	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M-H+Cl"	33.962126
"931295"	83.020363	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-H+Cl"	33.962126
"275320"	299.126602	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+Cl"	34.969402
"669931"	431.205202	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+Cl"	34.969402
"1279053"	167.048002	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Cl"	34.969402
"24893"	301.105806	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M-2H+K"	36.948606
"467731"	433.184406	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M-2H+K"	36.948606
"842257"	169.027206	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-2H+K"	36.948606
"1565742"	169.027206	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+K-2H"	36.948606
"950344"	177.076794	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-H+HCOOH"	44.998194
"369653"	309.155401	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+HCOOH-H"	44.998201
"348801"	323.171051	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+Hac-H"	59.013851
"1495813"	191.092451	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Hac-H"	59.013851
"967729"	199.058751	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-H+NaCOOH"	66.980151
"119917"	167.048002	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+2Cl"	69.938804
"563489"	233.087302	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+2Cl"	69.938804
"1035567"	101.008702	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2Cl"	69.938804
"1251138"	210.997485	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Br"	78.918885
"1313587"	213.053472	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Cl+HCOOH"	80.974872
"1328897"	235.035429	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Cl+NaCOOH"	102.956829
"917768"	245.064186	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M-H+CF3COOH"	112.985586
"1295571"	281.040864	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Cl+CF3COOH"	148.962264
"1370452"	97.065924	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H-2H2O"	-35.012676
"1386855"	115.0759	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H-H2O"	-17.0027
"284351"	265.164476	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+H"	1.007276
"677869"	397.243076	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+H"	1.007276
"1356404"	133.085876	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H"	1.007276
"128563"	133.085876	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+2H"	2.014552
"572134"	199.125176	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+2H"	2.014552
"1043119"	67.046576	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2H"	2.014552
"212116"	89.059676	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+3H"	3.021828
"649491"	133.085876	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+3H"	3.021828
"1165429"	45.033476	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+3H"	3.021828
"426518"	282.191023	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+NH4"	18.033823
"789700"	414.269623	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+NH4"	18.033823
"1683839"	150.112423	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+NH4"	18.033823
"333214"	141.5991495	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+H+NH4"	19.041099
"724539"	207.6384495	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+H+NH4"	19.041099
"1478483"	75.5598495	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H+NH4"	19.041099
"393880"	287.146418	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+Na"	22.989218
"757309"	419.225018	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+Na"	22.989218
"1602968"	155.067818	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Na"	22.989218
"315442"	144.076847	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+H+Na"	23.996494
"708105"	210.116147	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+H+Na"	23.996494
"1461556"	78.037547	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H+Na"	23.996494
"1056026"	52.36079	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2H+Na"	25.00377
"1257573"	165.112086	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+CH3OH+H"	33.033486
"377604"	303.120358	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+K"	38.963158
"739452"	435.198958	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+K"	38.963158
"1540108"	171.041758	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+K"	38.963158
"300524"	152.063817	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+H+K"	39.970434
"691409"	218.103117	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+H+K"	39.970434
"1446399"	86.024517	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H+K"	39.970434
"238283"	306.191026	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+ACN+H"	42.033826
"1216827"	174.112426	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+ACN+H"	42.033826
"1199614"	87.559851	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+ACN+2H"	43.041102
"194679"	309.12836	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+2Na-H"	44.97116
"629499"	441.20696	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+2Na-H"	44.97116
"1132148"	177.04976	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2Na-H"	44.97116
"173615"	155.067818	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+2Na"	45.978436
"613096"	221.107118	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+2Na"	45.978436
"1116002"	89.028518	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2Na"	45.978436
"1400707"	59.688104	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H+2Na"	46.985712
"1430999"	179.091346	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H+HCOOH"	47.012746
"220015"	160.10084	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+3H2O+2H"	56.04448
"1508653"	193.14339	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+IsoProp+H"	61.06479
"409537"	163.054788	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+Na+K"	61.952376
"770897"	229.094088	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+Na+K"	61.952376
"1670508"	97.015488	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Na+K"	61.952376
"261039"	328.172968	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+ACN+Na"	64.015768
"1233747"	196.094368	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+ACN+Na"	64.015768
"1719352"	196.117893	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+NH4+HCOOH"	64.039293
"1185801"	67.015418	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+3Na"	68.967654
"1661163"	201.073288	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Na+HCOOH"	68.994688
"166932"	341.07624	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+2K-H"	76.91904
"607585"	473.15484	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+2K-H"	76.91904
"1092097"	208.99764	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2K-H"	76.91904
"148917"	171.041758	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"2M+2K"	77.926316
"592850"	237.081058	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"3M+2K"	77.926316
"1080642"	105.002458	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2K"	77.926316
"1113608"	211.012192	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2K+H"	78.933592
"1345863"	211.099807	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+DMSO+H"	79.021207
"1014395"	215.138976	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2ACN+H"	83.060376
"1536893"	216.132608	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+IsoProp+Na+H"	84.054008
"995691"	108.073126	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+2ACN+2H"	84.067652
"1591288"	217.047228	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+K+HCOOH"	84.968628
"1414762"	247.078738	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+H+CF3COOH"	115.000138
"1147604"	128.586401	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+3ACN+2H"	125.094202
"1697150"	264.105285	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+NH4+CF3COOH"	132.026685
"1641192"	269.06068	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+Na+CF3COOH"	136.98208
"1584498"	285.03462	"C06103"	"6-Hydroxyhexanoic acid;6-Hydroxyhexanoate"	"C6H12O3"	"132.0786"	"M+K+CF3COOH"	152.95602
"814862"	146.0579	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M"	0
"981835"	127.03951	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"67890"	96.3646573333333	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"508547"	145.050624	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"885255"	47.6786906666667	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"4922"	145.050624	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"452137"	218.079574	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"823381"	72.021674	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"87749"	291.108524	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"526217"	437.166424	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"902917"	145.050624	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"54012"	308.135071	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"488109"	454.192971	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"866268"	162.077171	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"38191"	313.090466	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"475564"	459.148366	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"849109"	167.032566	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1620709"	167.032566	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"95049"	163.038963	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"536797"	236.067913	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"930312"	90.010013	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"276523"	327.085202	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"672227"	473.143102	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1276976"	181.027302	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"22816"	329.064406	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"466749"	475.122306	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"845647"	183.006506	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1565853"	183.006506	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"951547"	191.056094	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"373043"	337.114001	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"352554"	351.129651	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1499202"	205.071751	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"970026"	213.038051	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"124400"	181.027302	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"562868"	254.056252	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1027291"	107.998352	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1251248"	224.976785	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1310778"	227.032772	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1324631"	249.014729	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"917874"	259.043486	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1292400"	295.020164	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1372748"	111.045224	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1389151"	129.0552	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"287014"	293.123076	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"678342"	439.180976	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1356514"	147.065176	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"127943"	147.065176	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"571150"	220.094126	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1041042"	74.036226	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"207850"	98.3792093333333	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"650693"	147.065176	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1165173"	49.6932426666667	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"428814"	310.149623	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"790903"	456.207523	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1683948"	164.091723	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"332595"	155.5784495	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"725744"	228.6073995	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1478470"	82.5494995	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"394597"	315.105018	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"755232"	461.162918	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1607340"	169.047118	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"316282"	158.056147	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"709189"	231.085097	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1461327"	85.027197	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1054315"	57.0205566666667	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1257559"	179.091386	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"377600"	331.078958	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"738713"	477.136858	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1542365"	185.021058	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"301728"	166.043117	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"692686"	239.072067	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1447239"	93.014167	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"237663"	334.149626	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1220216"	188.091726	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1199724"	94.549501	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"191509"	337.08696	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"629609"	483.14486	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1132139"	191.02906	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"173846"	169.047118	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"613031"	242.076068	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1116315"	96.018168	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1398548"	64.3478706666667	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1432933"	193.070646	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"219999"	174.08014	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1508532"	207.12269	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"409281"	177.034088	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"770643"	250.063038	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1667338"	104.005138	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"262242"	356.131568	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1233857"	210.073668	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1718369"	210.097193	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1185911"	71.6751846666667	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1660179"	215.052588	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"167042"	369.03484	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"607695"	515.09274	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1095487"	222.97694	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"149027"	185.021058	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"592960"	258.050008	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1079659"	111.992108	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1112867"	224.991492	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1347067"	225.079107	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1014504"	229.118276	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1533723"	230.111908	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"995801"	115.062776	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1591394"	231.026528	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1414992"	261.058038	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1150630"	135.576051	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1698350"	278.084585	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1641302"	283.03998	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1584608"	299.01392	"C06104"	"Adipate;Adipic acid;Hexanedioate;Hexan-16-dicarboxylate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"813879"	112.0524	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M"	0
"980852"	93.03401	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-H2O-H"	-19.01839
"66907"	73.694324	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M-3H"	-3.021828
"506470"	111.045124	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M-3H"	-3.021828
"883178"	36.343524	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-3H"	-3.021828
"5033"	111.045124	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M-2H"	-2.014552
"447875"	167.071324	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M-2H"	-2.014552
"824586"	55.018924	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-2H"	-2.014552
"89319"	223.097524	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M-H"	-1.007276
"528879"	335.149924	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M-H"	-1.007276
"910078"	111.045124	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-H"	-1.007276
"55215"	240.124071	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M-2H+NH4"	16.019271
"500851"	352.176471	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M-2H+NH4"	16.019271
"865412"	128.071671	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-2H+NH4"	16.019271
"38301"	245.079466	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M-2H+Na"	20.974666
"475674"	357.131866	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M-2H+Na"	20.974666
"851286"	133.027066	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-2H+Na"	20.974666
"1621912"	133.027066	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Na-2H"	20.974666
"96250"	129.033463	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M-H+Cl"	33.962126
"536905"	185.059663	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M-H+Cl"	33.962126
"930422"	73.007263	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-H+Cl"	33.962126
"274446"	259.074202	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+Cl"	34.969402
"670151"	371.126602	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+Cl"	34.969402
"1281461"	147.021802	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Cl"	34.969402
"24019"	261.053406	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M-2H+K"	36.948606
"470139"	373.105806	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M-2H+K"	36.948606
"845757"	149.001006	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-2H+K"	36.948606
"1568149"	149.001006	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+K-2H"	36.948606
"948377"	157.050594	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-H+HCOOH"	44.998194
"372060"	269.103001	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+HCOOH-H"	44.998201
"353758"	283.118651	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+Hac-H"	59.013851
"1499312"	171.066251	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Hac-H"	59.013851
"966855"	179.032551	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-H+NaCOOH"	66.980151
"119041"	147.021802	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+2Cl"	69.938804
"560790"	203.048002	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+2Cl"	69.938804
"1033964"	90.995602	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2Cl"	69.938804
"1252452"	190.971285	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Br"	78.918885
"1310159"	193.027272	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Cl+HCOOH"	80.974872
"1331302"	215.009229	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Cl+NaCOOH"	102.956829
"916892"	225.037986	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M-H+CF3COOH"	112.985586
"1294694"	261.014664	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Cl+CF3COOH"	148.962264
"1370669"	77.039724	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H-2H2O"	-35.012676
"1385250"	95.0497	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H-H2O"	-17.0027
"286760"	225.112076	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+H"	1.007276
"678088"	337.164476	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+H"	1.007276
"1354801"	113.059676	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H"	1.007276
"126961"	113.059676	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+2H"	2.014552
"571260"	169.085876	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+2H"	2.014552
"1043341"	57.033476	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2H"	2.014552
"207960"	75.708876	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+3H"	3.021828
"649709"	113.059676	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+3H"	3.021828
"1167834"	38.358076	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+3H"	3.021828
"434394"	242.138623	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+NH4"	18.033823
"792107"	354.191023	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+NH4"	18.033823
"1683694"	130.086223	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+NH4"	18.033823
"331003"	121.5729495	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+H+NH4"	19.041099
"723668"	177.5991495	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+H+NH4"	19.041099
"1478217"	65.5467495	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H+NH4"	19.041099
"394711"	247.094018	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+Na"	22.989218
"754856"	359.146418	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+Na"	22.989218
"1604776"	135.041618	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Na"	22.989218
"314685"	124.050647	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+H+Na"	23.996494
"707307"	180.076847	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+H+Na"	23.996494
"1461895"	68.024447	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H+Na"	23.996494
"1055518"	45.68539	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2H+Na"	25.00377
"1257055"	145.085886	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+CH3OH+H"	33.033486
"377833"	263.067958	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+K"	38.963158
"739069"	375.120358	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+K"	38.963158
"1544661"	151.015558	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+K"	38.963158
"302201"	132.037617	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+H+K"	39.970434
"693527"	188.063817	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+H+K"	39.970434
"1446494"	76.011417	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H+K"	39.970434
"238502"	266.138626	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+ACN+H"	42.033826
"1219233"	154.086226	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+ACN+H"	42.033826
"1197647"	77.546751	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+ACN+2H"	43.041102
"192711"	269.07596	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+2Na-H"	44.97116
"631176"	381.12836	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+2Na-H"	44.97116
"1132006"	157.02356	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2Na-H"	44.97116
"174563"	135.041618	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+2Na"	45.978436
"613523"	191.067818	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+2Na"	45.978436
"1116425"	79.015418	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2Na"	45.978436
"1398967"	53.012704	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H+2Na"	46.985712
"1435595"	159.065146	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H+HCOOH"	47.012746
"220002"	140.07464	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+3H2O+2H"	56.04448
"1508852"	173.11719	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+IsoProp+H"	61.06479
"409757"	143.028588	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+Na+K"	61.952376
"770082"	199.054788	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+Na+K"	61.952376
"1668177"	87.002388	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Na+K"	61.952376
"260165"	288.120568	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+ACN+Na"	64.015768
"1233967"	176.068168	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+ACN+Na"	64.015768
"1719572"	176.091693	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+NH4+HCOOH"	64.039293
"1186020"	60.340018	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+3Na"	68.967654
"1663692"	181.047088	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Na+HCOOH"	68.994688
"167152"	301.02384	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+2K-H"	76.91904
"606711"	413.07624	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+2K-H"	76.91904
"1096690"	188.97144	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2K-H"	76.91904
"149137"	151.015558	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"2M+2K"	77.926316
"588696"	207.041758	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"3M+2K"	77.926316
"1079769"	94.989358	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2K"	77.926316
"1113708"	190.985992	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2K+H"	78.933592
"1347178"	191.073607	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+DMSO+H"	79.021207
"1016801"	195.112776	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2ACN+H"	83.060376
"1534926"	196.106408	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+IsoProp+Na+H"	84.054008
"994817"	98.060026	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+2ACN+2H"	84.067652
"1591504"	197.021028	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+K+HCOOH"	84.968628
"1418261"	227.052538	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+H+CF3COOH"	115.000138
"1147702"	118.573301	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+3ACN+2H"	125.094202
"1697370"	244.079085	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+NH4+CF3COOH"	132.026685
"1640319"	249.03448	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+Na+CF3COOH"	136.98208
"1584718"	265.00842	"C06105"	"Cyclohexane-12-dione"	"C6H8O2"	"112.0524"	"M+K+CF3COOH"	152.95602
"815082"	78.0117	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M"	0
"982055"	58.99331	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-H2O-H"	-19.01839
"68109"	51.000524	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M-3H"	-3.021828
"508766"	77.004424	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M-3H"	-3.021828
"884380"	24.996624	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-3H"	-3.021828
"5142"	77.004424	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M-2H"	-2.014552
"454180"	116.010274	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M-2H"	-2.014552
"823601"	37.998574	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-2H"	-2.014552
"91252"	155.016124	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M-H"	-1.007276
"528624"	233.027824	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M-H"	-1.007276
"910756"	77.004424	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-H"	-1.007276
"55325"	172.042671	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M-2H+NH4"	16.019271
"495979"	250.054371	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M-2H+NH4"	16.019271
"867585"	94.030971	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-2H+NH4"	16.019271
"38411"	176.998066	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M-2H+Na"	20.974666
"475784"	255.009766	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M-2H+Na"	20.974666
"849692"	98.986366	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-2H+Na"	20.974666
"1619711"	98.986366	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Na-2H"	20.974666
"95753"	94.992763	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M-H+Cl"	33.962126
"535921"	133.998613	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M-H+Cl"	33.962126
"930532"	55.986913	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-H+Cl"	33.962126
"276743"	190.992802	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+Cl"	34.969402
"672448"	269.004502	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+Cl"	34.969402
"1282664"	112.981102	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Cl"	34.969402
"25222"	192.972006	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M-2H+K"	36.948606
"470249"	270.983706	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M-2H+K"	36.948606
"844773"	114.960306	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-2H+K"	36.948606
"1562791"	114.960306	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+K-2H"	36.948606
"950675"	123.009894	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-H+HCOOH"	44.998194
"371077"	201.021601	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+HCOOH-H"	44.998201
"352775"	215.037251	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+Hac-H"	59.013851
"1499422"	137.025551	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Hac-H"	59.013851
"969152"	144.991851	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-H+NaCOOH"	66.980151
"119151"	112.981102	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+2Cl"	69.938804
"559807"	151.986952	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+2Cl"	69.938804
"1035167"	73.975252	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2Cl"	69.938804
"1249282"	156.930585	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Br"	78.918885
"1309905"	158.986572	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Cl+HCOOH"	80.974872
"1328132"	180.968529	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Cl+NaCOOH"	102.956829
"918095"	190.997286	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M-H+CF3COOH"	112.985586
"1294804"	226.973964	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Cl+CF3COOH"	148.962264
"1370412"	42.999024	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H-2H2O"	-35.012676
"1385724"	61.009	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H-H2O"	-17.0027
"285532"	157.030676	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+H"	1.007276
"680018"	235.042376	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+H"	1.007276
"1354179"	79.018976	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H"	1.007276
"127798"	79.018976	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+2H"	2.014552
"569184"	118.024826	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+2H"	2.014552
"1040170"	40.013126	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2H"	2.014552
"206976"	53.015076	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+3H"	3.021828
"646903"	79.018976	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+3H"	3.021828
"1165029"	27.011176	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+3H"	3.021828
"434504"	174.057223	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+NH4"	18.033823
"792217"	252.068923	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+NH4"	18.033823
"1683441"	96.045523	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+NH4"	18.033823
"330342"	87.5322495	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+H+NH4"	19.041099
"724144"	126.5380995	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+H+NH4"	19.041099
"1477759"	48.5263995	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H+NH4"	19.041099
"394456"	179.012618	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+Na"	22.989218
"754600"	257.024318	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+Na"	22.989218
"1604766"	101.000918	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Na"	22.989218
"315286"	90.009947	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+H+Na"	23.996494
"707374"	129.015797	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+H+Na"	23.996494
"1461552"	51.004097	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H+Na"	23.996494
"1054534"	34.33849	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2H+Na"	25.00377
"1258034"	111.045186	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+CH3OH+H"	33.033486
"377492"	194.986558	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+K"	38.963158
"738612"	272.998258	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+K"	38.963158
"1545864"	116.974858	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+K"	38.963158
"301947"	97.996917	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+H+K"	39.970434
"693636"	137.002767	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+H+K"	39.970434
"1446728"	58.991067	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H+K"	39.970434
"236791"	198.057226	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+ACN+H"	42.033826
"1220436"	120.045526	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+ACN+H"	42.033826
"1199944"	60.526401	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+ACN+2H"	43.041102
"190754"	200.99456	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+2Na-H"	44.97116
"632379"	279.00626	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+2Na-H"	44.97116
"1134061"	122.98286	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2Na-H"	44.97116
"174793"	101.000918	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+2Na"	45.978436
"614604"	140.006768	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+2Na"	45.978436
"1118962"	61.995068	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2Na"	45.978436
"1399083"	41.665804	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H+2Na"	46.985712
"1433518"	125.024446	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H+HCOOH"	47.012746
"220897"	106.03394	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+3H2O+2H"	56.04448
"1509200"	139.07649	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+IsoProp+H"	61.06479
"410231"	108.987888	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+Na+K"	61.952376
"771345"	147.993738	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+Na+K"	61.952376
"1668287"	69.982038	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Na+K"	61.952376
"261368"	220.039168	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+ACN+Na"	64.015768
"1231889"	142.027468	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+ACN+Na"	64.015768
"1718588"	142.050993	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+NH4+HCOOH"	64.039293
"1186130"	48.993118	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+3Na"	68.967654
"1664166"	147.006388	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Na+HCOOH"	68.994688
"169448"	232.94244	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+2K-H"	76.91904
"610830"	310.95414	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+2K-H"	76.91904
"1097893"	154.93074	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2K-H"	76.91904
"150340"	116.974858	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"2M+2K"	77.926316
"595124"	155.980708	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"3M+2K"	77.926316
"1083776"	77.969008	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2K"	77.926316
"1114191"	156.945292	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2K+H"	78.933592
"1349354"	157.032907	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+DMSO+H"	79.021207
"1016911"	161.072076	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2ACN+H"	83.060376
"1538195"	162.065708	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+IsoProp+Na+H"	84.054008
"996020"	81.039676	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+2ACN+2H"	84.067652
"1594896"	162.980328	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+K+HCOOH"	84.968628
"1419463"	193.011838	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+H+CF3COOH"	115.000138
"1147691"	101.552951	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+3ACN+2H"	125.094202
"1698210"	210.038385	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+NH4+CF3COOH"	132.026685
"1640429"	214.99378	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+Na+CF3COOH"	136.98208
"1584828"	230.96772	"C06108"	"Fluoroacetate;Fluoroacetic acid;Cymonic acid;Gifblaar poison;HFA;UN 2642"	"C2H3FO2"	"78.0117"	"M+K+CF3COOH"	152.95602
"805353"	382.131	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M"	0
"982170"	363.11261	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-H2O-H"	-19.01839
"64944"	253.746724	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M-3H"	-3.021828
"508876"	381.123724	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M-3H"	-3.021828
"889957"	126.369724	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-3H"	-3.021828
"13635"	381.123724	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M-2H"	-2.014552
"448094"	572.189224	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M-2H"	-2.014552
"824801"	190.058224	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-2H"	-2.014552
"81512"	763.254724	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M-H"	-1.007276
"527634"	1145.385724	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M-H"	-1.007276
"910542"	381.123724	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-H"	-1.007276
"49006"	780.281271	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M-2H+NH4"	16.019271
"496100"	1162.412271	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M-2H+NH4"	16.019271
"867339"	398.150271	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-2H+NH4"	16.019271
"38521"	785.236666	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M-2H+Na"	20.974666
"479174"	1167.367666	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M-2H+Na"	20.974666
"852599"	403.105666	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-2H+Na"	20.974666
"1621039"	403.105666	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Na-2H"	20.974666
"96107"	399.112063	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M-H+Cl"	33.962126
"540408"	590.177563	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M-H+Cl"	33.962126
"937204"	208.046563	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-H+Cl"	33.962126
"277951"	799.231402	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+Cl"	34.969402
"669278"	1181.362402	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+Cl"	34.969402
"1283868"	417.100402	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Cl"	34.969402
"30071"	801.210606	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M-2H+K"	36.948606
"467810"	1183.341606	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M-2H+K"	36.948606
"845611"	419.079606	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-2H+K"	36.948606
"1568004"	419.079606	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+K-2H"	36.948606
"951879"	427.129194	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-H+HCOOH"	44.998194
"370095"	809.260201	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+HCOOH-H"	44.998201
"353977"	823.275851	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+Hac-H"	59.013851
"1501718"	441.144851	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Hac-H"	59.013851
"969260"	449.111151	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-H+NaCOOH"	66.980151
"120355"	417.100402	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+2Cl"	69.938804
"558824"	608.165902	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+2Cl"	69.938804
"1028720"	226.034902	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2Cl"	69.938804
"1247568"	461.049885	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Br"	78.918885
"1312935"	463.105872	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Cl+HCOOH"	80.974872
"1327151"	485.087829	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Cl+NaCOOH"	102.956829
"917116"	495.116586	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M-H+CF3COOH"	112.985586
"1292364"	531.093264	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Cl+CF3COOH"	148.962264
"1371982"	347.118324	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H-2H2O"	-35.012676
"1389483"	365.1283	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H-H2O"	-17.0027
"285155"	765.269276	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+H"	1.007276
"679399"	1147.400276	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+H"	1.007276
"1354654"	383.138276	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H"	1.007276
"126815"	383.138276	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+2H"	2.014552
"571481"	574.203776	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+2H"	2.014552
"1038824"	192.072776	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2H"	2.014552
"206361"	255.761276	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+3H"	3.021828
"651029"	383.138276	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+3H"	3.021828
"1165871"	128.384276	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+3H"	3.021828
"425863"	782.295823	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+NH4"	18.033823
"785883"	1164.426823	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+NH4"	18.033823
"1683188"	400.164823	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+NH4"	18.033823
"332197"	391.6515495	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+H+NH4"	19.041099
"724981"	582.7170495	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+H+NH4"	19.041099
"1477702"	200.5860495	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H+NH4"	19.041099
"393834"	787.251218	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+Na"	22.989218
"754955"	1169.382218	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+Na"	22.989218
"1603086"	405.120218	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Na"	22.989218
"314583"	394.129247	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+H+Na"	23.996494
"708064"	585.194747	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+H+Na"	23.996494
"1462248"	203.063747	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H+Na"	23.996494
"1054646"	135.71159	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2H+Na"	25.00377
"1257418"	415.164486	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+CH3OH+H"	33.033486
"379281"	803.225158	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+K"	38.963158
"743924"	1185.356158	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+K"	38.963158
"1542694"	421.094158	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+K"	38.963158
"300596"	402.116217	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+H+K"	39.970434
"691634"	593.181717	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+H+K"	39.970434
"1458146"	211.050717	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H+K"	39.970434
"247840"	806.295826	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+ACN+H"	42.033826
"1212897"	424.164826	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+ACN+H"	42.033826
"1200059"	212.586051	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+ACN+2H"	43.041102
"192928"	809.23316	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+2Na-H"	44.97116
"629934"	1191.36416	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+2Na-H"	44.97116
"1131480"	427.10216	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2Na-H"	44.97116
"172906"	405.120218	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+2Na"	45.978436
"618849"	596.185718	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+2Na"	45.978436
"1116642"	214.054718	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2Na"	45.978436
"1403699"	143.038904	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H+2Na"	46.985712
"1435815"	429.143746	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H+HCOOH"	47.012746
"221011"	410.15324	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+3H2O+2H"	56.04448
"1510289"	443.19579	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+IsoProp+H"	61.06479
"409369"	413.107188	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+Na+K"	61.952376
"771700"	604.172688	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+Na+K"	61.952376
"1667666"	222.041688	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Na+K"	61.952376
"256009"	828.277768	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+ACN+Na"	64.015768
"1231999"	446.146768	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+ACN+Na"	64.015768
"1719792"	446.170293	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+NH4+HCOOH"	64.039293
"1187335"	150.366218	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+3Na"	68.967654
"1660509"	451.125688	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Na+HCOOH"	68.994688
"167369"	841.18104	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+2K-H"	76.91904
"608026"	1223.31204	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+2K-H"	76.91904
"1095817"	459.05004	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2K-H"	76.91904
"154822"	421.094158	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"2M+2K"	77.926316
"593288"	612.159658	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"3M+2K"	77.926316
"1077798"	230.028658	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2K"	77.926316
"1113199"	461.064592	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2K+H"	78.933592
"1347396"	461.152207	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+DMSO+H"	79.021207
"1014837"	465.191376	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2ACN+H"	83.060376
"1525794"	466.185008	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+IsoProp+Na+H"	84.054008
"992848"	233.099326	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+2ACN+2H"	84.067652
"1596109"	467.099628	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+K+HCOOH"	84.968628
"1421768"	497.131138	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+H+CF3COOH"	115.000138
"1159713"	253.612601	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+3ACN+2H"	125.094202
"1711818"	514.157685	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+NH4+CF3COOH"	132.026685
"1646012"	519.11308	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+Na+CF3COOH"	136.98208
"1584940"	535.08702	"C06111"	"Nerolidyl diphosphate;NPP"	"C15H28O7P2"	"382.131"	"M+K+CF3COOH"	152.95602
"815311"	199.0957	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M"	0
"985561"	180.07731	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-H2O-H"	-19.01839
"72711"	131.723190666667	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M-3H"	-3.021828
"512271"	198.088424	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M-3H"	-3.021828
"886793"	65.3579573333333	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-3H"	-3.021828
"6459"	198.088424	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M-2H"	-2.014552
"454765"	297.636274	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M-2H"	-2.014552
"831110"	98.540574	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-2H"	-2.014552
"88187"	397.184124	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M-H"	-1.007276
"523374"	596.279824	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M-H"	-1.007276
"900080"	198.088424	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-H"	-1.007276
"54464"	414.210671	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M-2H+NH4"	16.019271
"497306"	613.306371	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M-2H+NH4"	16.019271
"875473"	215.114971	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-2H+NH4"	16.019271
"40820"	419.166066	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M-2H+Na"	20.974666
"481473"	618.261766	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M-2H+Na"	20.974666
"853808"	220.070366	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-2H+Na"	20.974666
"1626619"	220.070366	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Na-2H"	20.974666
"107522"	216.076763	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M-H+Cl"	33.962126
"545988"	315.624613	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M-H+Cl"	33.962126
"937318"	116.528913	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-H+Cl"	33.962126
"278795"	433.160802	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+Cl"	34.969402
"671214"	632.256502	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+Cl"	34.969402
"1285076"	234.065102	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Cl"	34.969402
"29457"	435.140006	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M-2H+K"	36.948606
"470841"	634.235706	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M-2H+K"	36.948606
"846455"	236.044306	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-2H+K"	36.948606
"1567023"	236.044306	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+K-2H"	36.948606
"951991"	244.093894	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-H+HCOOH"	44.998194
"376038"	443.189601	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+HCOOH-H"	44.998201
"357734"	457.205251	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+Hac-H"	59.013851
"1501828"	258.109551	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Hac-H"	59.013851
"967182"	266.075851	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-H+NaCOOH"	66.980151
"120470"	234.065102	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+2Cl"	69.938804
"557841"	333.612952	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+2Cl"	69.938804
"1028832"	134.517252	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2Cl"	69.938804
"1250599"	278.014585	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Br"	78.918885
"1310129"	280.070572	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Cl+HCOOH"	80.974872
"1324346"	302.052529	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Cl+NaCOOH"	102.956829
"923426"	312.081286	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M-H+CF3COOH"	112.985586
"1296123"	348.057964	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Cl+CF3COOH"	148.962264
"1372096"	164.083024	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H-2H2O"	-35.012676
"1392876"	182.093	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H-H2O"	-17.0027
"287094"	399.198676	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+H"	1.007276
"682796"	598.294376	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+H"	1.007276
"1356960"	200.102976	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H"	1.007276
"135316"	200.102976	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+2H"	2.014552
"570502"	299.650826	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+2H"	2.014552
"1044771"	100.555126	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2H"	2.014552
"206232"	133.737742666667	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+3H"	3.021828
"646765"	200.102976	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+3H"	3.021828
"1169267"	67.3725093333333	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+3H"	3.021828
"429261"	416.225223	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+NH4"	18.033823
"786000"	615.320923	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+NH4"	18.033823
"1689863"	217.129523	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+NH4"	18.033823
"335954"	208.6162495	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+H+NH4"	19.041099
"725458"	308.1640995	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+H+NH4"	19.041099
"1477451"	109.0683995	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H+NH4"	19.041099
"393090"	421.180618	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+Na"	22.989218
"754569"	620.276318	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+Na"	22.989218
"1606696"	222.084918	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Na"	22.989218
"316732"	211.093947	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+H+Na"	23.996494
"710245"	310.641797	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+H+Na"	23.996494
"1462971"	111.546097	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H+Na"	23.996494
"1054392"	74.6998233333333	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2H+Na"	25.00377
"1258628"	232.129186	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+CH3OH+H"	33.033486
"385231"	437.154558	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+K"	38.963158
"749505"	636.250258	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+K"	38.963158
"1550468"	238.058858	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+K"	38.963158
"308740"	219.080917	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+H+K"	39.970434
"704438"	318.628767	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+H+K"	39.970434
"1446229"	119.533067	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H+K"	39.970434
"241392"	440.225226	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+ACN+H"	42.033826
"1213009"	241.129526	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+ACN+H"	42.033826
"1197985"	121.068401	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+ACN+2H"	43.041102
"188592"	443.16256	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+2Na-H"	44.97116
"631146"	642.25826	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+2Na-H"	44.97116
"1131736"	244.06686	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2Na-H"	44.97116
"173084"	222.084918	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+2Na"	45.978436
"616048"	321.632768	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+2Na"	45.978436
"1119919"	122.537068	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2Na"	45.978436
"1410373"	82.0271373333333	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H+2Na"	46.985712
"1434103"	246.108446	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H+HCOOH"	47.012746
"223433"	227.11794	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+3H2O+2H"	56.04448
"1509307"	260.16049	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+IsoProp+H"	61.06479
"415558"	230.071888	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+Na+K"	61.952376
"777646"	329.619738	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+Na+K"	61.952376
"1676164"	130.524038	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Na+K"	61.952376
"264870"	462.207168	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+ACN+Na"	64.015768
"1236487"	263.111468	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+ACN+Na"	64.015768
"1723188"	263.134993	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+NH4+HCOOH"	64.039293
"1190728"	89.3544513333333	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+3Na"	68.967654
"1658436"	268.090388	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Na+HCOOH"	68.994688
"169673"	475.11044	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+2K-H"	76.91904
"605951"	674.20614	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+2K-H"	76.91904
"1094838"	276.01474	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2K-H"	76.91904
"154934"	238.058858	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"2M+2K"	77.926316
"593400"	337.606708	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"3M+2K"	77.926316
"1076823"	138.511008	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2K"	77.926316
"1103474"	278.029292	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2K+H"	78.933592
"1343135"	278.116907	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+DMSO+H"	79.021207
"1009480"	282.156076	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2ACN+H"	83.060376
"1528699"	283.149708	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+IsoProp+Na+H"	84.054008
"994052"	141.581676	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+2ACN+2H"	84.067652
"1600597"	284.064328	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+K+HCOOH"	84.968628
"1426254"	314.095838	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+H+CF3COOH"	115.000138
"1159826"	162.094951	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+3ACN+2H"	125.094202
"1710836"	331.122385	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+NH4+CF3COOH"	132.026685
"1647213"	336.07778	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+Na+CF3COOH"	136.98208
"1585052"	352.05172	"C06114"	"gamma-Glutamyl-beta-aminopropiononitrile;gamma-Glutamyl-3-aminopropiononitrile"	"C8H13N3O3"	"199.0957"	"M+K+CF3COOH"	152.95602
"805575"	150.0528	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M"	0
"985669"	131.03441	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"69539"	99.027924	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"513474"	149.045524	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"886903"	49.010324	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"6569"	149.045524	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"448315"	224.071924	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"823930"	74.019124	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"82830"	299.098324	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"519477"	449.151124	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"895682"	149.045524	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"59682"	316.124871	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"500699"	466.177671	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"873762"	166.072071	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"45308"	321.080266	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"481586"	471.133066	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"859389"	171.027466	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1627827"	171.027466	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"104356"	167.033863	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"545374"	242.060263	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"938890"	92.007463	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"278176"	335.075002	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"672420"	485.127802	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1284093"	185.022202	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"30912"	337.054206	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"468398"	487.107006	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"846932"	187.001406	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1567867"	187.001406	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"953924"	195.050994	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"373233"	345.103801	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"354201"	359.119451	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1501938"	209.066651	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"969479"	217.032951	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"114383"	185.022202	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"557954"	260.048602	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1027848"	109.995802	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1247430"	228.971685	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1312065"	231.027672	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1327371"	253.009629	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"919525"	263.038386	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1303897"	299.015064	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1379501"	115.040124	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1397362"	133.0501	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"291578"	301.112876	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"690200"	451.165676	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1359256"	151.060076	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"135426"	151.060076	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"571705"	226.086476	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1044881"	76.033676	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"207314"	101.042476	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"649061"	151.060076	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1171564"	51.024876	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"426091"	318.139423	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"789268"	468.192223	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1689973"	168.086623	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"337157"	159.5733495	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"723297"	234.5997495	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1479751"	84.5469495	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"393806"	323.094818	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"754595"	473.147618	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1606805"	173.042018	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"316843"	162.051047	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"709990"	237.077447	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1466359"	87.024647	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1054621"	58.35219	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1261289"	183.086286	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"388258"	339.068758	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"750709"	489.121558	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1552035"	189.015958	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"309942"	170.038017	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"701268"	245.064417	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1446220"	95.011617	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"236156"	342.139426	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1210688"	192.086626	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1195178"	96.546951	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"188893"	345.07676	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"630283"	495.12956	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1131959"	195.02396	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"173220"	173.042018	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"613104"	248.068418	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1117840"	98.015618	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1401000"	65.679504	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1432389"	197.065546	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"224638"	178.07504	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1509415"	211.11759	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"420044"	181.028988	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"781038"	256.055388	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1672995"	106.002588	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"261699"	364.121368	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1234409"	214.068568	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1718922"	214.092093	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1190473"	73.006818	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1656357"	219.047488	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"169783"	377.02464	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"607156"	527.07744	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1093855"	226.97184	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"150670"	189.015958	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"592415"	264.042358	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1076933"	113.989558	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1104677"	228.986392	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1339964"	229.074007	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1009589"	233.113176	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1527716"	234.106808	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"991975"	117.060226	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1601073"	235.021428	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1426364"	265.052938	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1158843"	137.573501	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1709489"	282.079485	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1645138"	287.03488	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1585162"	303.00882	"C06115"	"L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"815526"	352.0642	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M"	0
"988943"	333.04581	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-H2O-H"	-19.01839
"74022"	233.702190666667	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M-3H"	-3.021828
"516863"	351.056924	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M-3H"	-3.021828
"887011"	116.347457333333	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-3H"	-3.021828
"8866"	351.056924	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M-2H"	-2.014552
"446239"	527.089024	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M-2H"	-2.014552
"825132"	175.024824	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-2H"	-2.014552
"84033"	703.121124	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M-H"	-1.007276
"525785"	1055.185324	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M-H"	-1.007276
"900307"	351.056924	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-H"	-1.007276
"62356"	720.147671	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M-2H+NH4"	16.019271
"502400"	1072.211871	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M-2H+NH4"	16.019271
"879594"	368.083471	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-2H+NH4"	16.019271
"46764"	725.103066	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M-2H+Na"	20.974666
"485345"	1077.167266	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M-2H+Na"	20.974666
"862051"	373.038866	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-2H+Na"	20.974666
"1632313"	373.038866	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Na-2H"	20.974666
"105561"	369.045263	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M-H+Cl"	33.962126
"548892"	545.077363	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M-H+Cl"	33.962126
"941555"	193.013163	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-H+Cl"	33.962126
"281446"	739.097802	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+Cl"	34.969402
"675085"	1091.162002	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+Cl"	34.969402
"1286878"	387.033602	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Cl"	34.969402
"30659"	741.077006	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M-2H+K"	36.948606
"469604"	1093.141206	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M-2H+K"	36.948606
"847532"	389.012806	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-2H+K"	36.948606
"1568340"	389.012806	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+K-2H"	36.948606
"954034"	397.062394	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-H+HCOOH"	44.998194
"373708"	749.126601	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+HCOOH-H"	44.998201
"356135"	763.142251	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+Hac-H"	59.013851
"1506425"	411.078051	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Hac-H"	59.013851
"970685"	419.044351	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-H+NaCOOH"	66.980151
"117411"	387.033602	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+2Cl"	69.938804
"561345"	563.065702	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+2Cl"	69.938804
"1029055"	211.001502	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2Cl"	69.938804
"1249727"	430.983085	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Br"	78.918885
"1313269"	433.039072	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Cl+HCOOH"	80.974872
"1331857"	455.021029	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Cl+NaCOOH"	102.956829
"918542"	465.049786	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M-H+CF3COOH"	112.985586
"1296343"	501.026464	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Cl+CF3COOH"	148.962264
"1379975"	317.051524	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H-2H2O"	-35.012676
"1393096"	335.0615	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H-H2O"	-17.0027
"293510"	705.135676	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+H"	1.007276
"691041"	1057.199876	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+H"	1.007276
"1359366"	353.071476	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H"	1.007276
"135172"	353.071476	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+2H"	2.014552
"572909"	529.103576	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+2H"	2.014552
"1046084"	177.039376	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2H"	2.014552
"209610"	235.716742666667	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+3H"	3.021828
"652455"	353.071476	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+3H"	3.021828
"1171674"	118.362009333333	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+3H"	3.021828
"432761"	722.162223	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+NH4"	18.033823
"791567"	1074.226423	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+NH4"	18.033823
"1693364"	370.098023	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+NH4"	18.033823
"339455"	361.5847495	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+H+NH4"	19.041099
"732969"	537.6168495	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+H+NH4"	19.041099
"1481321"	185.5526495	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H+NH4"	19.041099
"393312"	727.117618	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+Na"	22.989218
"754670"	1079.181818	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+Na"	22.989218
"1603137"	375.053418	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Na"	22.989218
"314671"	364.062447	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+H+Na"	23.996494
"711557"	540.094547	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+H+Na"	23.996494
"1465378"	188.030347	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H+Na"	23.996494
"1053638"	125.689323333333	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2H+Na"	25.00377
"1261399"	385.097686	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+CH3OH+H"	33.033486
"391651"	743.091558	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+K"	38.963158
"751551"	1095.155758	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+K"	38.963158
"1552511"	391.027358	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+K"	38.963158
"310419"	372.049417	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+H+K"	39.970434
"704659"	548.081517	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+H+K"	39.970434
"1453016"	196.017317	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H+K"	39.970434
"239431"	746.162226	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+ACN+H"	42.033826
"1215417"	394.098026	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+ACN+H"	42.033826
"1199665"	197.552651	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+ACN+2H"	43.041102
"194722"	749.09956	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+2Na-H"	44.97116
"631731"	1101.16376	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+2Na-H"	44.97116
"1135967"	397.03536	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2Na-H"	44.97116
"173908"	375.053418	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+2Na"	45.978436
"616998"	551.085518	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+2Na"	45.978436
"1123788"	199.021318	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2Na"	45.978436
"1401841"	133.016637333333	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H+2Na"	46.985712
"1433226"	399.076946	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H+HCOOH"	47.012746
"220728"	380.08644	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+3H2O+2H"	56.04448
"1508752"	413.12899	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+IsoProp+H"	61.06479
"409942"	383.040388	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+Na+K"	61.952376
"774586"	559.072488	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+Na+K"	61.952376
"1670916"	207.008288	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Na+K"	61.952376
"260717"	768.144168	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+ACN+Na"	64.015768
"1233425"	416.079968	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+ACN+Na"	64.015768
"1722313"	416.103493	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+NH4+HCOOH"	64.039293
"1187667"	140.343951333333	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+3Na"	68.967654
"1658654"	421.058888	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Na+HCOOH"	68.994688
"169893"	781.04744	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+2K-H"	76.91904
"607267"	1133.11164	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+2K-H"	76.91904
"1093965"	428.98324	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2K-H"	76.91904
"151873"	391.027358	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"2M+2K"	77.926316
"591431"	567.059458	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"3M+2K"	77.926316
"1074854"	214.995258	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2K"	77.926316
"1106974"	430.997792	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2K+H"	78.933592
"1339346"	431.085407	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+DMSO+H"	79.021207
"1006662"	435.124576	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2ACN+H"	83.060376
"1526733"	436.118208	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+IsoProp+Na+H"	84.054008
"991113"	218.065926	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+2ACN+2H"	84.067652
"1600453"	437.032828	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+K+HCOOH"	84.968628
"1428296"	467.064338	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+H+CF3COOH"	115.000138
"1158225"	238.579201	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+3ACN+2H"	125.094202
"1708504"	484.090885	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+NH4+CF3COOH"	132.026685
"1647434"	489.04628	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+Na+CF3COOH"	136.98208
"1585272"	505.02022	"C06118"	"4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;Unsaturated digalacturonate"	"C12H16O12"	"352.0642"	"M+K+CF3COOH"	152.95602
"805795"	297.2668	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M"	0
"985889"	278.24841	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-H2O-H"	-19.01839
"70852"	197.170590666667	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M-3H"	-3.021828
"506038"	296.259524	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M-3H"	-3.021828
"884933"	98.0816573333333	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-3H"	-3.021828
"5695"	296.259524	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M-2H"	-2.014552
"448536"	444.892924	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M-2H"	-2.014552
"823054"	147.626124	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-2H"	-2.014552
"89609"	593.526324	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M-H"	-1.007276
"519451"	890.793124	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M-H"	-1.007276
"897258"	296.259524	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-H"	-1.007276
"54795"	610.552871	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M-2H+NH4"	16.019271
"501417"	907.819671	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M-2H+NH4"	16.019271
"879100"	313.286071	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-2H+NH4"	16.019271
"46145"	615.508266	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M-2H+Na"	20.974666
"485334"	912.775066	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M-2H+Na"	20.974666
"860702"	318.241466	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-2H+Na"	20.974666
"1626954"	318.241466	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Na-2H"	20.974666
"108221"	314.247863	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M-H+Cl"	33.962126
"546321"	462.881263	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M-H+Cl"	33.962126
"941907"	165.614463	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-H+Cl"	33.962126
"281312"	629.503002	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+Cl"	34.969402
"674097"	926.769802	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+Cl"	34.969402
"1287838"	332.236202	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Cl"	34.969402
"31003"	631.482206	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M-2H+K"	36.948606
"470931"	928.749006	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M-2H+K"	36.948606
"848004"	334.215406	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-2H+K"	36.948606
"1569178"	334.215406	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+K-2H"	36.948606
"952324"	342.264994	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-H+HCOOH"	44.998194
"372725"	639.531801	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+HCOOH-H"	44.998201
"356608"	653.547451	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+Hac-H"	59.013851
"1503983"	356.280651	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Hac-H"	59.013851
"970795"	364.246951	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-H+NaCOOH"	66.980151
"116428"	332.236202	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+2Cl"	69.938804
"562550"	480.869602	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+2Cl"	69.938804
"1028072"	183.602802	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2Cl"	69.938804
"1250930"	376.185685	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Br"	78.918885
"1316659"	378.241672	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Cl+HCOOH"	80.974872
"1328687"	400.223629	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Cl+NaCOOH"	102.956829
"917559"	410.252386	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M-H+CF3COOH"	112.985586
"1295360"	446.229064	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Cl+CF3COOH"	148.962264
"1378992"	262.254124	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H-2H2O"	-35.012676
"1393206"	280.2641	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H-H2O"	-17.0027
"290341"	595.540876	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+H"	1.007276
"689690"	892.807676	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+H"	1.007276
"1358383"	298.274076	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H"	1.007276
"135282"	298.274076	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+2H"	2.014552
"569739"	446.907476	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+2H"	2.014552
"1045101"	149.640676	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2H"	2.014552
"206441"	199.185142666667	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+3H"	3.021828
"649284"	298.274076	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+3H"	3.021828
"1169598"	100.096209333333	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+3H"	3.021828
"432871"	612.567423	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+NH4"	18.033823
"790584"	909.834223	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+NH4"	18.033823
"1693474"	315.300623	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+NH4"	18.033823
"339565"	306.7873495	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+H+NH4"	19.041099
"733079"	455.4207495	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+H+NH4"	19.041099
"1481431"	158.1539495	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H+NH4"	19.041099
"393020"	617.522818	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+Na"	22.989218
"754263"	914.789618	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+Na"	22.989218
"1603248"	320.256018	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Na"	22.989218
"314660"	309.265047	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+H+Na"	23.996494
"709116"	457.898447	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+H+Na"	23.996494
"1463300"	160.631647	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H+Na"	23.996494
"1053137"	107.423523333333	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2H+Na"	25.00377
"1261873"	330.300286	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+CH3OH+H"	33.033486
"386656"	633.496758	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+K"	38.963158
"748746"	930.763558	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+K"	38.963158
"1549705"	336.229958	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+K"	38.963158
"311256"	317.252017	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+H+K"	39.970434
"703676"	465.885417	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+H+K"	39.970434
"1450941"	168.618617	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H+K"	39.970434
"238448"	636.567426	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+ACN+H"	42.033826
"1215891"	339.300626	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+ACN+H"	42.033826
"1200138"	170.153951	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+ACN+2H"	43.041102
"194103"	639.50476	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+2Na-H"	44.97116
"632934"	936.77156	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+2Na-H"	44.97116
"1134618"	342.23796	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2Na-H"	44.97116
"173288"	320.256018	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+2Na"	45.978436
"617839"	468.889418	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+2Na"	45.978436
"1123898"	171.622618	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2Na"	45.978436
"1402682"	114.750837333333	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H+2Na"	46.985712
"1430784"	344.279546	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H+HCOOH"	47.012746
"220477"	325.28904	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+3H2O+2H"	56.04448
"1508579"	358.33159	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+IsoProp+H"	61.06479
"408671"	328.242988	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+Na+K"	61.952376
"772871"	476.876388	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+Na+K"	61.952376
"1671027"	179.609588	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Na+K"	61.952376
"255356"	658.549368	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+ACN+Na"	64.015768
"1230619"	361.282568	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+ACN+Na"	64.015768
"1722423"	361.306093	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+NH4+HCOOH"	64.039293
"1186683"	122.078151333333	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+3Na"	68.967654
"1655484"	366.261488	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Na+HCOOH"	68.994688
"168909"	671.45264	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+2K-H"	76.91904
"608470"	968.71944	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+2K-H"	76.91904
"1090794"	374.18584	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2K-H"	76.91904
"149796"	336.229958	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"2M+2K"	77.926316
"591541"	484.863358	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"3M+2K"	77.926316
"1077152"	187.596558	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2K"	77.926316
"1104896"	376.200392	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2K+H"	78.933592
"1339092"	376.288007	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+DMSO+H"	79.021207
"1011995"	380.327176	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2ACN+H"	83.060376
"1525992"	381.320808	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+IsoProp+Na+H"	84.054008
"991829"	190.667226	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+2ACN+2H"	84.067652
"1601415"	382.235428	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+K+HCOOH"	84.968628
"1428042"	412.266938	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+H+CF3COOH"	115.000138
"1160887"	211.180501	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+3ACN+2H"	125.094202
"1709344"	429.293485	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+NH4+CF3COOH"	132.026685
"1647180"	434.24888	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+Na+CF3COOH"	136.98208
"1585382"	450.22282	"C06121"	"3-Ketosphingosine"	"C18H35NO2"	"297.2668"	"M+K+CF3COOH"	152.95602
"805905"	238.2297	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M"	0
"980532"	219.21131	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-H2O-H"	-19.01839
"70962"	157.812524	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M-3H"	-3.021828
"509428"	237.222424	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M-3H"	-3.021828
"882126"	78.402624	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-3H"	-3.021828
"5805"	237.222424	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M-2H"	-2.014552
"446459"	356.337274	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M-2H"	-2.014552
"817696"	118.107574	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-2H"	-2.014552
"85345"	475.452124	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M-H"	-1.007276
"519684"	713.681824	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M-H"	-1.007276
"905996"	237.222424	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-H"	-1.007276
"61468"	492.478671	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M-2H+NH4"	16.019271
"501394"	730.708371	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M-2H+NH4"	16.019271
"878958"	254.248971	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-2H+NH4"	16.019271
"46816"	497.434066	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M-2H+Na"	20.974666
"486903"	735.663766	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M-2H+Na"	20.974666
"859719"	259.204366	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-2H+Na"	20.974666
"1630345"	259.204366	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Na-2H"	20.974666
"104687"	255.210763	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M-H+Cl"	33.962126
"542059"	374.325613	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M-H+Cl"	33.962126
"937762"	136.095913	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-H+Cl"	33.962126
"276317"	511.428802	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+Cl"	34.969402
"669832"	749.658502	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+Cl"	34.969402
"1283329"	273.199102	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Cl"	34.969402
"31155"	513.408006	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M-2H+K"	36.948606
"469453"	751.637706	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M-2H+K"	36.948606
"846163"	275.178306	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-2H+K"	36.948606
"1566734"	275.178306	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+K-2H"	36.948606
"948059"	283.227894	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-H+HCOOH"	44.998194
"365908"	521.457601	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+HCOOH-H"	44.998201
"347971"	535.473251	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+Hac-H"	59.013851
"1497897"	297.243551	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Hac-H"	59.013851
"969812"	305.209851	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-H+NaCOOH"	66.980151
"111433"	273.199102	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+2Cl"	69.938804
"554636"	392.313952	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+2Cl"	69.938804
"1029277"	154.084252	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2Cl"	69.938804
"1247762"	317.148585	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Br"	78.918885
"1309115"	319.204572	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Cl+HCOOH"	80.974872
"1325518"	341.186529	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Cl+NaCOOH"	102.956829
"920949"	351.215286	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M-H+CF3COOH"	112.985586
"1300213"	387.191964	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Cl+CF3COOH"	148.962264
"1379832"	203.217024	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H-2H2O"	-35.012676
"1394413"	221.227	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H-H2O"	-17.0027
"296286"	477.466676	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+H"	1.007276
"682145"	715.696376	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+H"	1.007276
"1358495"	239.236976	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H"	1.007276
"129197"	239.236976	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+2H"	2.014552
"567663"	358.351826	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+2H"	2.014552
"1038651"	120.122126	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2H"	2.014552
"204281"	159.827076	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+3H"	3.021828
"649394"	239.236976	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+3H"	3.021828
"1170801"	80.417176	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+3H"	3.021828
"429701"	494.493223	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+NH4"	18.033823
"795069"	732.722923	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+NH4"	18.033823
"1689212"	256.263523	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+NH4"	18.033823
"336395"	247.7502495	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+H+NH4"	19.041099
"729909"	366.8650995	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+H+NH4"	19.041099
"1477107"	128.6353995	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H+NH4"	19.041099
"393043"	499.448618	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+Na"	22.989218
"754650"	737.678318	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+Na"	22.989218
"1603115"	261.218918	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Na"	22.989218
"314973"	250.227947	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+H+Na"	23.996494
"707392"	369.342797	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+H+Na"	23.996494
"1461453"	131.113097	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H+Na"	23.996494
"1052790"	87.74449	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2H+Na"	25.00377
"1260160"	271.263186	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+CH3OH+H"	33.033486
"386766"	515.422558	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+K"	38.963158
"749950"	753.652258	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+K"	38.963158
"1548723"	277.192858	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+K"	38.963158
"306993"	258.214917	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+H+K"	39.970434
"701599"	377.329767	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+H+K"	39.970434
"1454331"	139.100067	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H+K"	39.970434
"241839"	518.493226	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+ACN+H"	42.033826
"1210409"	280.263526	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+ACN+H"	42.033826
"1198792"	140.635401	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+ACN+2H"	43.041102
"195671"	521.43056	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+2Na-H"	44.97116
"633044"	759.66026	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+2Na-H"	44.97116
"1138009"	283.20086	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2Na-H"	44.97116
"172976"	261.218918	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+2Na"	45.978436
"620501"	380.333768	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+2Na"	45.978436
"1126195"	142.104068	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2Na"	45.978436
"1410814"	95.071804	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H+2Na"	46.985712
"1436367"	285.242446	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H+HCOOH"	47.012746
"222777"	266.25194	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+3H2O+2H"	56.04448
"1511203"	299.29449	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+IsoProp+H"	61.06479
"409795"	269.205888	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+Na+K"	61.952376
"773712"	388.320738	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+Na+K"	61.952376
"1674417"	150.091038	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Na+K"	61.952376
"257654"	540.475168	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+ACN+Na"	64.015768
"1230364"	302.245468	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+ACN+Na"	64.015768
"1720346"	302.268993	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+NH4+HCOOH"	64.039293
"1182418"	102.399118	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+3Na"	68.967654
"1655594"	307.224388	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Na+HCOOH"	68.994688
"166832"	553.37844	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+2K-H"	76.91904
"606393"	791.60814	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+2K-H"	76.91904
"1089082"	315.14874	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2K-H"	76.91904
"150999"	277.192858	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"2M+2K"	77.926316
"590558"	396.307708	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"3M+2K"	77.926316
"1078355"	158.078008	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2K"	77.926316
"1102818"	317.163292	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2K+H"	78.933592
"1340294"	317.250907	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+DMSO+H"	79.021207
"1009918"	321.290076	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2ACN+H"	83.060376
"1526953"	322.283708	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+IsoProp+Na+H"	84.054008
"992304"	161.148676	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+2ACN+2H"	84.067652
"1600677"	323.198328	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+K+HCOOH"	84.968628
"1427059"	353.229838	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+H+CF3COOH"	115.000138
"1160999"	181.661951	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+3ACN+2H"	125.094202
"1711278"	370.256385	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+NH4+CF3COOH"	132.026685
"1649114"	375.21178	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+Na+CF3COOH"	136.98208
"1585492"	391.18572	"C06123"	"Hexadecenal;2-trans-Hexadecenal"	"C16H30O"	"238.2297"	"M+K+CF3COOH"	152.95602
"809295"	379.2488	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M"	0
"982829"	360.23041	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-H2O-H"	-19.01839
"69978"	251.825257333333	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M-3H"	-3.021828
"509539"	378.241524	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M-3H"	-3.021828
"880778"	125.408990666667	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-3H"	-3.021828
"2635"	378.241524	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M-2H"	-2.014552
"445476"	567.865924	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M-2H"	-2.014552
"817273"	188.617124	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-2H"	-2.014552
"83268"	757.490324	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M-H"	-1.007276
"518819"	1136.739124	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M-H"	-1.007276
"906106"	378.241524	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-H"	-1.007276
"61700"	774.516871	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M-2H+NH4"	16.019271
"502234"	1153.765671	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M-2H+NH4"	16.019271
"879717"	395.268071	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-2H+NH4"	16.019271
"47050"	779.472266	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M-2H+Na"	20.974666
"485675"	1158.721066	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M-2H+Na"	20.974666
"858737"	400.223466	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-2H+Na"	20.974666
"1629363"	400.223466	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Na-2H"	20.974666
"104797"	396.229863	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M-H+Cl"	33.962126
"543261"	585.854263	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M-H+Cl"	33.962126
"934592"	206.605463	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-H+Cl"	33.962126
"275337"	793.467002	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+Cl"	34.969402
"668850"	1172.715802	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+Cl"	34.969402
"1280158"	414.218202	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Cl"	34.969402
"25631"	795.446206	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M-2H+K"	36.948606
"469200"	1174.695006	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M-2H+K"	36.948606
"845179"	416.197406	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-2H+K"	36.948606
"1563565"	416.197406	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+K-2H"	36.948606
"949262"	424.246994	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-H+HCOOH"	44.998194
"361764"	803.495801	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+HCOOH-H"	44.998201
"347354"	817.511451	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+Hac-H"	59.013851
"1498007"	438.262651	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Hac-H"	59.013851
"971381"	446.228951	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-H+NaCOOH"	66.980151
"114460"	414.218202	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+2Cl"	69.938804
"555837"	603.842602	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+2Cl"	69.938804
"1032668"	224.593802	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2Cl"	69.938804
"1251154"	458.167685	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Br"	78.918885
"1315423"	460.223672	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Cl+HCOOH"	80.974872
"1327815"	482.205629	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Cl+NaCOOH"	102.956829
"917779"	492.234386	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M-H+CF3COOH"	112.985586
"1300686"	528.211064	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Cl+CF3COOH"	148.962264
"1374840"	344.236124	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H-2H2O"	-35.012676
"1396710"	362.2461	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H-H2O"	-17.0027
"296395"	759.504876	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+H"	1.007276
"680068"	1138.753676	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+H"	1.007276
"1358605"	380.256076	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H"	1.007276
"130400"	380.256076	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+2H"	2.014552
"571053"	569.880476	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+2H"	2.014552
"1039125"	190.631676	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2H"	2.014552
"205566"	253.839809333333	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+3H"	3.021828
"649504"	380.256076	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+3H"	3.021828
"1169818"	127.423542666667	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+3H"	3.021828
"429811"	776.531423	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+NH4"	18.033823
"792992"	1155.780223	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+NH4"	18.033823
"1689322"	397.282623	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+NH4"	18.033823
"336505"	388.7693495	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+H+NH4"	19.041099
"732206"	578.3937495	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+H+NH4"	19.041099
"1481651"	199.1449495	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H+NH4"	19.041099
"394864"	781.486818	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+Na"	22.989218
"755003"	1160.735618	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+Na"	22.989218
"1604319"	402.238018	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Na"	22.989218
"316178"	391.247047	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+H+Na"	23.996494
"707787"	580.871447	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+H+Na"	23.996494
"1461564"	201.622647	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H+Na"	23.996494
"1052949"	134.750856666667	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2H+Na"	25.00377
"1260270"	412.282286	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+CH3OH+H"	33.033486
"391248"	797.460758	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+K"	38.963158
"750058"	1176.709558	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+K"	38.963158
"1549927"	418.211958	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+K"	38.963158
"309289"	399.234017	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+H+K"	39.970434
"701708"	588.858417	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+H+K"	39.970434
"1454440"	209.609617	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H+K"	39.970434
"239762"	800.531426	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+ACN+H"	42.033826
"1210441"	421.282626	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+ACN+H"	42.033826
"1198902"	211.144951	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+ACN+2H"	43.041102
"196146"	803.46876	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+2Na-H"	44.97116
"632790"	1182.71756	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+2Na-H"	44.97116
"1137755"	424.21996	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2Na-H"	44.97116
"173259"	402.238018	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+2Na"	45.978436
"621704"	591.862418	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+2Na"	45.978436
"1126305"	212.613618	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2Na"	45.978436
"1412626"	142.078170666667	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H+2Na"	46.985712
"1437570"	426.261546	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H+HCOOH"	47.012746
"222888"	407.27104	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+3H2O+2H"	56.04448
"1511313"	440.31359	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+IsoProp+H"	61.06479
"410998"	410.224988	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+Na+K"	61.952376
"773822"	599.849388	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+Na+K"	61.952376
"1670151"	220.600588	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Na+K"	61.952376
"253753"	822.513368	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+ACN+Na"	64.015768
"1230474"	443.264568	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+ACN+Na"	64.015768
"1719362"	443.288093	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+NH4+HCOOH"	64.039293
"1181435"	149.405484666667	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+3Na"	68.967654
"1655704"	448.243488	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Na+HCOOH"	68.994688
"166942"	835.41664	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+2K-H"	76.91904
"607596"	1214.66544	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+2K-H"	76.91904
"1092107"	456.16784	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2K-H"	76.91904
"146735"	418.211958	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"2M+2K"	77.926316
"590668"	607.836358	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"3M+2K"	77.926316
"1072998"	228.587558	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2K"	77.926316
"1100862"	458.182392	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2K+H"	78.933592
"1337488"	458.270007	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+DMSO+H"	79.021207
"1007112"	462.309176	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2ACN+H"	83.060376
"1527063"	463.302808	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+IsoProp+Na+H"	84.054008
"990591"	231.658226	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+2ACN+2H"	84.067652
"1601272"	464.217428	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+K+HCOOH"	84.968628
"1426804"	494.248938	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+H+CF3COOH"	115.000138
"1161837"	252.171501	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+3ACN+2H"	125.094202
"1711023"	511.275485	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+NH4+CF3COOH"	132.026685
"1649224"	516.23088	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+Na+CF3COOH"	136.98208
"1585602"	532.20482	"C06124"	"Sphingosine 1-phosphate;Sphing-4-enine 1-phosphate;S1P"	"C18H38NO5P"	"379.2488"	"M+K+CF3COOH"	152.95602
"814525"	74.0732	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M"	0
"988058"	55.05481	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-H2O-H"	-19.01839
"75569"	48.3748573333333	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M-3H"	-3.021828
"516222"	73.065924	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M-3H"	-3.021828
"893666"	23.6837906666667	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-3H"	-3.021828
"14424"	73.065924	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M-2H"	-2.014552
"453254"	110.102524	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M-2H"	-2.014552
"832275"	36.029324	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-2H"	-2.014552
"92139"	147.139124	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M-H"	-1.007276
"532435"	221.212324	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M-H"	-1.007276
"907319"	73.065924	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-H"	-1.007276
"56226"	164.165671	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M-2H+NH4"	16.019271
"500163"	238.238871	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M-2H+NH4"	16.019271
"877599"	90.092471	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-2H+NH4"	16.019271
"42951"	169.121066	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M-2H+Na"	20.974666
"479957"	243.194266	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M-2H+Na"	20.974666
"854478"	95.047866	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-2H+Na"	20.974666
"1628396"	95.047866	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Na-2H"	20.974666
"108934"	91.054263	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M-H+Cl"	33.962126
"546672"	128.090863	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M-H+Cl"	33.962126
"941280"	54.017663	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-H+Cl"	33.962126
"273276"	183.115802	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+Cl"	34.969402
"662779"	257.189002	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+Cl"	34.969402
"1277006"	109.042602	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Cl"	34.969402
"20656"	185.095006	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M-2H+K"	36.948606
"462403"	259.168206	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M-2H+K"	36.948606
"842392"	111.021806	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-2H+K"	36.948606
"1570623"	111.021806	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+K-2H"	36.948606
"954859"	119.071394	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-H+HCOOH"	44.998194
"369793"	193.144601	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+HCOOH-H"	44.998201
"354769"	207.160251	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+Hac-H"	59.013851
"1501415"	133.087051	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Hac-H"	59.013851
"966769"	141.053351	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-H+NaCOOH"	66.980151
"117863"	109.042602	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+2Cl"	69.938804
"555236"	146.079202	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+2Cl"	69.938804
"1034979"	72.006002	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2Cl"	69.938804
"1255287"	152.992085	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Br"	78.918885
"1314818"	155.048072	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Cl+HCOOH"	80.974872
"1329033"	177.030029	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Cl+NaCOOH"	102.956829
"925560"	187.058786	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M-H+CF3COOH"	112.985586
"1298986"	223.035464	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Cl+CF3COOH"	148.962264
"1377149"	39.060524	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H-2H2O"	-35.012676
"1392459"	57.0705	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H-H2O"	-17.0027
"284487"	149.153676	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+H"	1.007276
"684565"	223.226876	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+H"	1.007276
"1352527"	75.080476	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H"	1.007276
"129429"	75.080476	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+2H"	2.014552
"566433"	112.117076	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+2H"	2.014552
"1043262"	38.043876	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2H"	2.014552
"212257"	50.3894093333333	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+3H"	3.021828
"651818"	75.080476	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+3H"	3.021828
"1173589"	25.6983426666667	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+3H"	3.021828
"427751"	166.180223	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+NH4"	18.033823
"788016"	240.253423	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+NH4"	18.033823
"1689452"	92.107023	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+NH4"	18.033823
"343571"	83.5937495	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+H+NH4"	19.041099
"736355"	120.6303495	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+H+NH4"	19.041099
"1491268"	46.5571495	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H+NH4"	19.041099
"402659"	171.135618	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+Na"	22.989218
"763656"	245.208818	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+Na"	22.989218
"1615762"	97.062418	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Na"	22.989218
"326160"	86.071447	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+H+Na"	23.996494
"718580"	123.108047	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+H+Na"	23.996494
"1466936"	49.034847	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H+Na"	23.996494
"1059084"	33.0256566666667	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2H+Na"	25.00377
"1269518"	107.106686	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+CH3OH+H"	33.033486
"389184"	187.109558	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+K"	38.963158
"742523"	261.182758	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+K"	38.963158
"1553325"	113.036358	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+K"	38.963158
"312692"	94.058417	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+H+K"	39.970434
"703655"	131.095017	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+H+K"	39.970434
"1454557"	57.021817	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H+K"	39.970434
"242067"	190.180226	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+ACN+H"	42.033826
"1218055"	116.107026	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+ACN+H"	42.033826
"1207408"	58.557151	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+ACN+2H"	43.041102
"198092"	193.11756	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+2Na-H"	44.97116
"636559"	267.19076	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+2Na-H"	44.97116
"1138970"	119.04436	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2Na-H"	44.97116
"184816"	97.062418	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+2Na"	45.978436
"621821"	134.099018	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+2Na"	45.978436
"1125328"	60.025818	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2Na"	45.978436
"1409219"	40.3529706666667	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H+2Na"	46.985712
"1439874"	121.085946	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H+HCOOH"	47.012746
"232127"	102.09544	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+3H2O+2H"	56.04448
"1514354"	135.13799	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+IsoProp+H"	61.06479
"414040"	105.049388	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+Na+K"	61.952376
"774669"	142.085988	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+Na+K"	61.952376
"1670999"	68.012788	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Na+K"	61.952376
"264099"	212.162168	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+ACN+Na"	64.015768
"1238258"	138.088968	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+ACN+Na"	64.015768
"1726052"	138.112493	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+NH4+HCOOH"	64.039293
"1191776"	47.6802846666667	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+3Na"	68.967654
"1661303"	143.067888	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Na+HCOOH"	68.994688
"172427"	225.06544	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+2K-H"	76.91904
"612267"	299.13864	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+2K-H"	76.91904
"1094426"	150.99224	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2K-H"	76.91904
"146867"	113.036358	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"2M+2K"	77.926316
"585336"	150.072958	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"3M+2K"	77.926316
"1071304"	75.999758	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2K"	77.926316
"1104148"	153.006792	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2K+H"	78.933592
"1343814"	153.094407	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+DMSO+H"	79.021207
"1011253"	157.133576	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2ACN+H"	83.060376
"1526462"	158.127208	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+IsoProp+Na+H"	84.054008
"1003492"	79.070426	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+2ACN+2H"	84.067652
"1596900"	159.041828	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+K+HCOOH"	84.968628
"1424746"	189.073338	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+H+CF3COOH"	115.000138
"1156126"	99.583701	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+3ACN+2H"	125.094202
"1701303"	206.099885	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+NH4+CF3COOH"	132.026685
"1639141"	211.05528	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+Na+CF3COOH"	136.98208
"1585728"	227.02922	"C06142"	"1-Butanol;n-Butanol;Butan-1-ol"	"C4H10O"	"74.0732"	"M+K+CF3COOH"	152.95602
"816093"	84.0211	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M"	0
"988532"	65.00271	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-H2O-H"	-19.01839
"71307"	55.0067906666667	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M-3H"	-3.021828
"511961"	83.013824	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M-3H"	-3.021828
"893041"	26.9997573333333	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-3H"	-3.021828
"14410"	83.013824	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M-2H"	-2.014552
"452268"	125.024374	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M-2H"	-2.014552
"830072"	41.003274	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-2H"	-2.014552
"90068"	167.034924	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M-H"	-1.007276
"529629"	251.056024	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M-H"	-1.007276
"908524"	83.013824	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-H"	-1.007276
"60837"	184.061471	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M-2H+NH4"	16.019271
"500275"	268.082571	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M-2H+NH4"	16.019271
"877714"	100.040371	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-2H+NH4"	16.019271
"39414"	189.016866	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M-2H+Na"	20.974666
"476788"	273.037966	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M-2H+Na"	20.974666
"858974"	104.995766	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-2H+Na"	20.974666
"1630694"	104.995766	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Na-2H"	20.974666
"107222"	101.002163	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M-H+Cl"	33.962126
"547514"	143.012713	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M-H+Cl"	33.962126
"941030"	58.991613	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-H+Cl"	33.962126
"279947"	203.011602	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+Cl"	34.969402
"666901"	287.032702	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+Cl"	34.969402
"1277117"	118.990502	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Cl"	34.969402
"21861"	204.990806	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M-2H+K"	36.948606
"463609"	289.011906	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M-2H+K"	36.948606
"839223"	120.969706	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-2H+K"	36.948606
"1568910"	120.969706	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+K-2H"	36.948606
"951689"	129.019294	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-H+HCOOH"	44.998194
"362977"	213.040401	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+HCOOH-H"	44.998201
"354883"	227.056051	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+Hac-H"	59.013851
"1499340"	143.034951	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Hac-H"	59.013851
"964693"	151.001251	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-H+NaCOOH"	66.980151
"115058"	118.990502	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+2Cl"	69.938804
"565523"	161.001052	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+2Cl"	69.938804
"1035088"	76.979952	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2Cl"	69.938804
"1256776"	162.939985	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Br"	78.918885
"1319807"	164.995972	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Cl+HCOOH"	80.974872
"1334616"	186.977929	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Cl+NaCOOH"	102.956829
"924577"	197.006686	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M-H+CF3COOH"	112.985586
"1300192"	232.983364	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Cl+CF3COOH"	148.962264
"1379084"	49.008424	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H-2H2O"	-35.012676
"1389287"	67.0184	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H-H2O"	-17.0027
"286787"	169.049476	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+H"	1.007276
"678478"	253.070576	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+H"	1.007276
"1353730"	85.028376	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H"	1.007276
"128075"	85.028376	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+2H"	2.014552
"578954"	127.038926	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+2H"	2.014552
"1051035"	43.017826	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2H"	2.014552
"213097"	57.0213426666667	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+3H"	3.021828
"658494"	85.028376	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+3H"	3.021828
"1167870"	29.0143093333333	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+3H"	3.021828
"430050"	186.076023	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+NH4"	18.033823
"791044"	270.097123	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+NH4"	18.033823
"1693942"	102.054923	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+NH4"	18.033823
"344409"	93.5416495	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+H+NH4"	19.041099
"729175"	135.5521995	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+H+NH4"	19.041099
"1484091"	51.5310995	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H+NH4"	19.041099
"402771"	191.031418	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+Na"	22.989218
"766317"	275.052518	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+Na"	22.989218
"1617331"	107.010318	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Na"	22.989218
"324813"	96.019347	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+H+Na"	23.996494
"714320"	138.029897	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+H+Na"	23.996494
"1468140"	54.008797	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H+Na"	23.996494
"1059201"	36.3416233333333	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2H+Na"	25.00377
"1267440"	117.054586	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+CH3OH+H"	33.033486
"389294"	207.005358	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+K"	38.963158
"747012"	291.026458	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+K"	38.963158
"1548703"	122.984258	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+K"	38.963158
"307701"	104.006317	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+H+K"	39.970434
"699756"	146.016867	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+H+K"	39.970434
"1452483"	61.995767	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H+K"	39.970434
"242177"	210.076026	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+ACN+H"	42.033826
"1212700"	126.054926	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+ACN+H"	42.033826
"1203145"	63.531101	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+ACN+2H"	43.041102
"199297"	213.01336	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+2Na-H"	44.97116
"633388"	297.03446	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+2Na-H"	44.97116
"1146137"	128.99226	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2Na-H"	44.97116
"183466"	107.010318	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+2Na"	45.978436
"626190"	149.020868	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+2Na"	45.978436
"1128728"	64.999768	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2Na"	45.978436
"1410424"	43.6689373333333	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H+2Na"	46.985712
"1442912"	131.033846	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H+HCOOH"	47.012746
"231874"	112.04334	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+3H2O+2H"	56.04448
"1518841"	145.08589	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+IsoProp+H"	61.06479
"417434"	114.997288	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+Na+K"	61.952376
"775147"	157.007838	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+Na+K"	61.952376
"1678782"	72.986738	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Na+K"	61.952376
"265667"	232.057968	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+ACN+Na"	64.015768
"1238011"	148.036868	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+ACN+Na"	64.015768
"1727509"	148.060393	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+NH4+HCOOH"	64.039293
"1192983"	50.9962513333333	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+3Na"	68.967654
"1658141"	153.015788	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Na+HCOOH"	68.994688
"163908"	244.96124	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+2K-H"	76.91904
"612459"	328.98234	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+2K-H"	76.91904
"1097577"	160.94014	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2K-H"	76.91904
"152448"	122.984258	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"2M+2K"	77.926316
"584353"	164.994808	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"3M+2K"	77.926316
"1069957"	80.973708	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2K"	77.926316
"1103167"	162.954692	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2K+H"	78.933592
"1342833"	163.042307	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+DMSO+H"	79.021207
"1014646"	167.081476	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2ACN+H"	83.060376
"1539706"	168.075108	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+IsoProp+Na+H"	84.054008
"994854"	84.044376	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+2ACN+2H"	84.067652
"1598104"	168.989728	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+K+HCOOH"	84.968628
"1424856"	199.021238	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+H+CF3COOH"	115.000138
"1159517"	104.557651	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+3ACN+2H"	125.094202
"1709069"	216.047785	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+NH4+CF3COOH"	132.026685
"1644722"	221.00318	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+Na+CF3COOH"	136.98208
"1585839"	236.97712	"C06144"	"3-Butynoate;But-3-ynoate"	"C4H4O2"	"84.0211"	"M+K+CF3COOH"	152.95602
"812923"	68.0262	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M"	0
"979895"	49.00781	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-H2O-H"	-19.01839
"66314"	44.343524	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M-3H"	-3.021828
"512071"	67.018924	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M-3H"	-3.021828
"893151"	21.668124	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-3H"	-3.021828
"13912"	67.018924	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M-2H"	-2.014552
"453473"	101.032024	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M-2H"	-2.014552
"826902"	33.005824	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-2H"	-2.014552
"90180"	135.045124	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M-H"	-1.007276
"529739"	203.071324	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M-H"	-1.007276
"906448"	67.018924	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-H"	-1.007276
"61921"	152.071671	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M-2H+NH4"	16.019271
"499291"	220.097871	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M-2H+NH4"	16.019271
"876002"	84.045471	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-2H+NH4"	16.019271
"43171"	157.027066	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M-2H+Na"	20.974666
"479085"	225.053266	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M-2H+Na"	20.974666
"860178"	89.000866	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-2H+Na"	20.974666
"1631898"	89.000866	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Na-2H"	20.974666
"106239"	85.007263	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M-H+Cl"	33.962126
"547261"	119.020363	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M-H+Cl"	33.962126
"939318"	50.994163	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-H+Cl"	33.962126
"277871"	171.021802	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+Cl"	34.969402
"665918"	239.048002	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+Cl"	34.969402
"1277227"	102.995602	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Cl"	34.969402
"20878"	173.001006	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M-2H+K"	36.948606
"463719"	241.027206	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M-2H+K"	36.948606
"843707"	104.974806	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-2H+K"	36.948606
"1569750"	104.974806	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+K-2H"	36.948606
"952892"	113.024394	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-H+HCOOH"	44.998194
"368919"	181.050601	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+HCOOH-H"	44.998201
"354993"	195.066251	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+Hac-H"	59.013851
"1501637"	127.040051	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Hac-H"	59.013851
"966990"	135.006351	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-H+NaCOOH"	66.980151
"114804"	102.995602	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+2Cl"	69.938804
"564947"	137.008702	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+2Cl"	69.938804
"1034106"	68.982502	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2Cl"	69.938804
"1253687"	146.945085	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Br"	78.918885
"1318321"	149.001072	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Cl+HCOOH"	80.974872
"1330350"	170.983029	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Cl+NaCOOH"	102.956829
"921407"	181.011786	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M-H+CF3COOH"	112.985586
"1298112"	216.988464	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Cl+CF3COOH"	148.962264
"1374086"	33.013524	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H-2H2O"	-35.012676
"1388304"	51.0235	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H-H2O"	-17.0027
"283981"	137.059676	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+H"	1.007276
"679318"	205.085876	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+H"	1.007276
"1353479"	69.033476	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H"	1.007276
"127826"	69.033476	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+2H"	2.014552
"579428"	103.046576	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+2H"	2.014552
"1051633"	35.020376	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2H"	2.014552
"216124"	46.358076	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+3H"	3.021828
"658239"	69.033476	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+3H"	3.021828
"1171261"	23.682676	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+3H"	3.021828
"430160"	154.086223	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+NH4"	18.033823
"792247"	222.112423	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+NH4"	18.033823
"1693323"	86.060023	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+NH4"	18.033823
"344884"	77.5467495	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+H+NH4"	19.041099
"730379"	111.5598495	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+H+NH4"	19.041099
"1482015"	43.5336495	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H+NH4"	19.041099
"401787"	159.041618	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+Na"	22.989218
"767521"	227.067818	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+Na"	22.989218
"1617319"	91.015418	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Na"	22.989218
"326379"	80.024447	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+H+Na"	23.996494
"716616"	114.037547	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+H+Na"	23.996494
"1471166"	46.011347	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H+Na"	23.996494
"1061500"	31.00999	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2H+Na"	25.00377
"1268644"	101.059686	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+CH3OH+H"	33.033486
"389404"	175.015558	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+K"	38.963158
"750402"	243.041758	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+K"	38.963158
"1551731"	106.989358	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+K"	38.963158
"311457"	88.011417	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+H+K"	39.970434
"699866"	122.024517	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+H+K"	39.970434
"1454780"	53.998317	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H+K"	39.970434
"242287"	178.086226	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+ACN+H"	42.033826
"1216090"	110.060026	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+ACN+H"	42.033826
"1203256"	55.533651	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+ACN+2H"	43.041102
"199407"	181.02356	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+2Na-H"	44.97116
"634592"	249.04976	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+2Na-H"	44.97116
"1145399"	112.99736	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2Na-H"	44.97116
"186251"	91.015418	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+2Na"	45.978436
"625693"	125.028518	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+2Na"	45.978436
"1127740"	57.002318	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2Na"	45.978436
"1407980"	38.337304	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H+2Na"	46.985712
"1442288"	115.038946	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H+HCOOH"	47.012746
"232712"	96.04844	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+3H2O+2H"	56.04448
"1512389"	129.09099	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+IsoProp+H"	61.06479
"415357"	99.002388	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+Na+K"	61.952376
"773431"	133.015488	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+Na+K"	61.952376
"1678163"	64.989288	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Na+K"	61.952376
"265048"	200.068168	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+ACN+Na"	64.015768
"1240069"	132.041968	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+ACN+Na"	64.015768
"1727619"	132.065493	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+NH4+HCOOH"	64.039293
"1193580"	45.664618	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+3Na"	68.967654
"1656064"	137.020888	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Na+HCOOH"	68.994688
"160738"	212.97144	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+2K-H"	76.91904
"611841"	280.99764	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+2K-H"	76.91904
"1096836"	144.94524	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2K-H"	76.91904
"152558"	106.989358	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"2M+2K"	77.926316
"588836"	141.002458	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"3M+2K"	77.926316
"1074443"	72.976258	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2K"	77.926316
"1104372"	146.959792	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2K+H"	78.933592
"1345131"	147.047407	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+DMSO+H"	79.021207
"1009290"	151.086576	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2ACN+H"	83.060376
"1537263"	152.080208	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+IsoProp+Na+H"	84.054008
"994965"	76.046926	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+2ACN+2H"	84.067652
"1591654"	152.994828	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+K+HCOOH"	84.968628
"1422779"	183.026338	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+H+CF3COOH"	115.000138
"1159627"	96.560201	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+3ACN+2H"	125.094202
"1706992"	200.052885	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+NH4+CF3COOH"	132.026685
"1645926"	205.00828	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+Na+CF3COOH"	136.98208
"1585949"	220.98222	"C06145"	"3-Butyn-1-al"	"C4H4O"	"68.0262"	"M+K+CF3COOH"	152.95602
"813033"	70.0419	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M"	0
"986566"	51.02351	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-H2O-H"	-19.01839
"72621"	45.687324	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M-3H"	-3.021828
"513276"	69.034624	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M-3H"	-3.021828
"893262"	22.340024	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-3H"	-3.021828
"14995"	69.034624	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M-2H"	-2.014552
"452489"	104.055574	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M-2H"	-2.014552
"827012"	34.013674	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-2H"	-2.014552
"91383"	139.076524	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M-H"	-1.007276
"529849"	209.118424	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M-H"	-1.007276
"906558"	69.034624	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-H"	-1.007276
"60935"	156.103071	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M-2H+NH4"	16.019271
"500860"	226.144971	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M-2H+NH4"	16.019271
"876112"	86.061171	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-2H+NH4"	16.019271
"42917"	161.058466	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M-2H+Na"	20.974666
"478101"	231.100366	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M-2H+Na"	20.974666
"861381"	91.016566	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-2H+Na"	20.974666
"1632008"	91.016566	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Na-2H"	20.974666
"105256"	87.022963	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M-H+Cl"	33.962126
"549072"	122.043913	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M-H+Cl"	33.962126
"940648"	52.002013	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-H+Cl"	33.962126
"276887"	175.053202	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+Cl"	34.969402
"667121"	245.095102	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+Cl"	34.969402
"1280617"	105.011302	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Cl"	34.969402
"20988"	177.032406	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M-2H+K"	36.948606
"467109"	247.074306	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M-2H+K"	36.948606
"840540"	106.990506	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-2H+K"	36.948606
"1564026"	106.990506	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+K-2H"	36.948606
"951908"	115.040094	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-H+HCOOH"	44.998194
"365019"	185.082001	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+HCOOH-H"	44.998201
"356197"	199.097651	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+Hac-H"	59.013851
"1499560"	129.055751	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Hac-H"	59.013851
"967100"	137.022051	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-H+NaCOOH"	66.980151
"118194"	105.011302	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+2Cl"	69.938804
"564324"	140.032252	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+2Cl"	69.938804
"1034216"	69.990352	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2Cl"	69.938804
"1252704"	148.960785	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Br"	78.918885
"1316245"	151.016772	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Cl+HCOOH"	80.974872
"1326085"	172.998729	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Cl+NaCOOH"	102.956829
"919327"	183.027486	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M-H+CF3COOH"	112.985586
"1299315"	219.004164	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Cl+CF3COOH"	148.962264
"1376382"	35.029224	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H-2H2O"	-35.012676
"1387320"	53.0392	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H-H2O"	-17.0027
"284816"	141.091076	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+H"	1.007276
"680883"	211.132976	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+H"	1.007276
"1355774"	71.049176	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H"	1.007276
"127568"	71.049176	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+2H"	2.014552
"578078"	106.070126	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+2H"	2.014552
"1052347"	36.028226	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2H"	2.014552
"215870"	47.701876	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+3H"	3.021828
"655797"	71.049176	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+3H"	3.021828
"1170278"	24.354576	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+3H"	3.021828
"432459"	158.117623	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+NH4"	18.033823
"792357"	228.159523	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+NH4"	18.033823
"1694894"	88.075723	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+NH4"	18.033823
"345119"	79.5624495	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+H+NH4"	19.041099
"732677"	114.5833995	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+H+NH4"	19.041099
"1482125"	44.5414995	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H+NH4"	19.041099
"402990"	163.073018	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+Na"	22.989218
"766903"	233.114918	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+Na"	22.989218
"1617876"	93.031118	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Na"	22.989218
"324302"	82.040147	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+H+Na"	23.996494
"713446"	117.061097	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+H+Na"	23.996494
"1466173"	47.019197	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H+Na"	23.996494
"1061610"	31.68189	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2H+Na"	25.00377
"1268753"	103.075386	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+CH3OH+H"	33.033486
"389514"	179.046958	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+K"	38.963158
"747232"	249.088858	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+K"	38.963158
"1553663"	109.005058	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+K"	38.963158
"311931"	90.027117	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+H+K"	39.970434
"697789"	125.048067	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+H+K"	39.970434
"1451610"	55.006167	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H+K"	39.970434
"242397"	182.117626	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+ACN+H"	42.033826
"1216200"	112.075726	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+ACN+H"	42.033826
"1202272"	56.541501	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+ACN+2H"	43.041102
"201704"	185.05496	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+2Na-H"	44.97116
"637982"	255.09686	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+2Na-H"	44.97116
"1145991"	115.01306	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2Na-H"	44.97116
"187458"	93.031118	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+2Na"	45.978436
"626530"	128.052068	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+2Na"	45.978436
"1127486"	58.010168	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2Na"	45.978436
"1404810"	39.009204	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H+2Na"	46.985712
"1441304"	117.054646	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H+HCOOH"	47.012746
"227718"	98.06414	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+3H2O+2H"	56.04448
"1512498"	131.10669	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+IsoProp+H"	61.06479
"410728"	101.018088	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+Na+K"	61.952376
"772812"	136.039038	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+Na+K"	61.952376
"1677543"	65.997138	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Na+K"	61.952376
"265885"	204.099568	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+ACN+Na"	64.015768
"1239693"	134.057668	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+ACN+Na"	64.015768
"1726755"	134.081193	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+NH4+HCOOH"	64.039293
"1192835"	46.336518	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+3Na"	68.967654
"1657267"	139.036588	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Na+HCOOH"	68.994688
"168502"	217.00284	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+2K-H"	76.91904
"612321"	287.04474	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+2K-H"	76.91904
"1096946"	146.96094	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2K-H"	76.91904
"154854"	109.005058	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"2M+2K"	77.926316
"588946"	144.026008	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"3M+2K"	77.926316
"1074553"	73.984108	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2K"	77.926316
"1105575"	148.975492	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2K+H"	78.933592
"1349614"	149.063107	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+DMSO+H"	79.021207
"1011587"	153.102276	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2ACN+H"	83.060376
"1538468"	154.095908	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+IsoProp+Na+H"	84.054008
"998355"	77.054776	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+2ACN+2H"	84.067652
"1595044"	155.010528	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+K+HCOOH"	84.968628
"1425076"	185.042038	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+H+CF3COOH"	115.000138
"1156457"	97.568051	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+3ACN+2H"	125.094202
"1707102"	202.068585	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+NH4+CF3COOH"	132.026685
"1638377"	207.02398	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+Na+CF3COOH"	136.98208
"1586059"	222.99792	"C06146"	"3-Butyn-1-ol"	"C4H6O"	"70.0419"	"M+K+CF3COOH"	152.95602
"813143"	513.0063	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M"	0
"986676"	493.98791	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-H2O-H"	-19.01839
"69451"	340.996924	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M-3H"	-3.021828
"515572"	511.999024	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M-3H"	-3.021828
"895319"	169.994824	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-3H"	-3.021828
"9760"	511.999024	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M-2H"	-2.014552
"452235"	768.502174	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M-2H"	-2.014552
"827122"	255.495874	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-2H"	-2.014552
"87118"	1025.005324	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M-H"	-1.007276
"526679"	1538.011624	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M-H"	-1.007276
"907759"	511.999024	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-H"	-1.007276
"58855"	1042.031871	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M-2H+NH4"	16.019271
"500601"	1555.038171	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M-2H+NH4"	16.019271
"878405"	529.025571	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-2H+NH4"	16.019271
"45211"	1046.987266	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M-2H+Na"	20.974666
"477482"	1559.993566	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M-2H+Na"	20.974666
"862585"	533.980966	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-2H+Na"	20.974666
"1632118"	533.980966	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Na-2H"	20.974666
"105366"	529.987363	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M-H+Cl"	33.962126
"549546"	786.490513	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M-H+Cl"	33.962126
"942212"	273.484213	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-H+Cl"	33.962126
"276997"	1060.982002	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+Cl"	34.969402
"667231"	1573.988302	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+Cl"	34.969402
"1280728"	547.975702	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Cl"	34.969402
"24378"	1062.961206	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M-2H+K"	36.948606
"466126"	1575.967506	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M-2H+K"	36.948606
"846847"	549.954906	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-2H+K"	36.948606
"1570659"	549.954906	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+K-2H"	36.948606
"954206"	558.004494	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-H+HCOOH"	44.998194
"364400"	1071.010801	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+HCOOH-H"	44.998201
"353026"	1085.026451	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+Hac-H"	59.013851
"1498576"	572.020151	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Hac-H"	59.013851
"966116"	579.986451	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-H+NaCOOH"	66.980151
"116117"	547.975702	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+2Cl"	69.938804
"564435"	804.478852	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+2Cl"	69.938804
"1035418"	291.472552	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2Cl"	69.938804
"1254999"	591.925185	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Br"	78.918885
"1316355"	593.981172	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Cl+HCOOH"	80.974872
"1329476"	615.963129	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Cl+NaCOOH"	102.956829
"921626"	625.991886	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M-H+CF3COOH"	112.985586
"1299426"	661.968564	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Cl+CF3COOH"	148.962264
"1377586"	477.993624	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H-2H2O"	-35.012676
"1388523"	496.0036	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H-H2O"	-17.0027
"286384"	1027.019876	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+H"	1.007276
"679900"	1540.026176	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+H"	1.007276
"1354060"	514.013576	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H"	1.007276
"129137"	514.013576	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+2H"	2.014552
"576365"	770.516726	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+2H"	2.014552
"1051001"	257.510426	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2H"	2.014552
"215617"	343.011476	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+3H"	3.021828
"657729"	514.013576	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+3H"	3.021828
"1169294"	172.009376	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+3H"	3.021828
"428193"	1044.046423	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+NH4"	18.033823
"791374"	1557.052723	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+NH4"	18.033823
"1696912"	531.040123	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+NH4"	18.033823
"345108"	522.5268495	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+H+NH4"	19.041099
"733879"	779.0299995	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+H+NH4"	19.041099
"1482235"	266.0236995	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H+NH4"	19.041099
"400913"	1049.001818	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+Na"	22.989218
"767742"	1562.008118	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+Na"	22.989218
"1618230"	535.995518	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Na"	22.989218
"324412"	525.004547	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+H+Na"	23.996494
"714649"	781.507697	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+H+Na"	23.996494
"1467376"	268.501397	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H+Na"	23.996494
"1062813"	179.33669	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2H+Na"	25.00377
"1269957"	546.039786	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+CH3OH+H"	33.033486
"390353"	1064.975758	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+K"	38.963158
"748435"	1577.982058	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+K"	38.963158
"1554867"	551.969458	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+K"	38.963158
"313133"	532.991517	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+H+K"	39.970434
"701179"	789.494667	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+H+K"	39.970434
"1455000"	276.488367	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H+K"	39.970434
"245788"	1068.046426	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+ACN+H"	42.033826
"1218498"	555.040126	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+ACN+H"	42.033826
"1202382"	278.023701	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+ACN+2H"	43.041102
"201814"	1070.98376	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+2Na-H"	44.97116
"641372"	1583.99006	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+2Na-H"	44.97116
"1146343"	557.97746	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2Na-H"	44.97116
"187809"	535.995518	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+2Na"	45.978436
"626276"	792.498668	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+2Na"	45.978436
"1126866"	279.492368	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2Na"	45.978436
"1409293"	186.664004	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H+2Na"	46.985712
"1441414"	560.019046	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H+HCOOH"	47.012746
"228921"	541.02854	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+3H2O+2H"	56.04448
"1515887"	574.07109	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+IsoProp+H"	61.06479
"414483"	543.982488	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+Na+K"	61.952376
"773653"	800.485638	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+Na+K"	61.952376
"1678018"	287.479338	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Na+K"	61.952376
"265268"	1090.028368	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+ACN+Na"	64.015768
"1235421"	577.022068	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+ACN+Na"	64.015768
"1725408"	577.045593	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+NH4+HCOOH"	64.039293
"1192219"	193.991318	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+3Na"	68.967654
"1658470"	582.000988	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Na+HCOOH"	68.994688
"166425"	1102.93164	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+2K-H"	76.91904
"612059"	1615.93794	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+2K-H"	76.91904
"1097056"	589.92534	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2K-H"	76.91904
"154843"	551.969458	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"2M+2K"	77.926316
"589056"	808.472608	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"3M+2K"	77.926316
"1074663"	295.466308	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2K"	77.926316
"1104592"	591.939892	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2K+H"	78.933592
"1347537"	592.027507	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+DMSO+H"	79.021207
"1012790"	596.066676	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2ACN+H"	83.060376
"1538093"	597.060308	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+IsoProp+Na+H"	84.054008
"999558"	298.536976	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+2ACN+2H"	84.067652
"1595154"	597.974928	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+K+HCOOH"	84.968628
"1424093"	628.006438	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+H+CF3COOH"	115.000138
"1156567"	319.050251	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+3ACN+2H"	125.094202
"1703932"	645.032985	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+NH4+CF3COOH"	132.026685
"1637394"	649.98838	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+Na+CF3COOH"	136.98208
"1586169"	665.96232	"C06148"	"25-Diamino-6-(5-triphosphoryl-34-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine"	"C9H18N5O14P3"	"513.0063"	"M+K+CF3COOH"	152.95602
"813253"	523.027	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M"	0
"986786"	504.00861	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-H2O-H"	-19.01839
"66645"	347.677390666667	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M-3H"	-3.021828
"515682"	522.019724	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M-3H"	-3.021828
"894943"	173.335057333333	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-3H"	-3.021828
"12057"	522.019724	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M-2H"	-2.014552
"452345"	783.533224	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M-2H"	-2.014552
"827232"	260.506224	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-2H"	-2.014552
"85040"	1045.046724	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M-H"	-1.007276
"528975"	1568.073724	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M-H"	-1.007276
"903494"	522.019724	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-H"	-1.007276
"58965"	1062.073271	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M-2H+NH4"	16.019271
"500711"	1585.100271	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M-2H+NH4"	16.019271
"874140"	539.046271	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-2H+NH4"	16.019271
"38761"	1067.028666	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M-2H+Na"	20.974666
"479413"	1590.055666	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M-2H+Na"	20.974666
"862695"	544.001666	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-2H+Na"	20.974666
"1632228"	544.001666	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Na-2H"	20.974666
"105476"	540.008063	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M-H+Cl"	33.962126
"548314"	801.521563	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M-H+Cl"	33.962126
"941110"	278.494563	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-H+Cl"	33.962126
"277107"	1081.023402	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+Cl"	34.969402
"667341"	1604.050402	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+Cl"	34.969402
"1280838"	557.996402	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Cl"	34.969402
"21208"	1083.002606	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M-2H+K"	36.948606
"464049"	1606.029606	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M-2H+K"	36.948606
"848056"	559.975606	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-2H+K"	36.948606
"1570445"	559.975606	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+K-2H"	36.948606
"952858"	568.025194	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-H+HCOOH"	44.998194
"364510"	1091.052201	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+HCOOH-H"	44.998201
"354958"	1105.067851	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+Hac-H"	59.013851
"1499779"	582.040851	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Hac-H"	59.013851
"963310"	590.007151	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-H+NaCOOH"	66.980151
"115134"	557.996402	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+2Cl"	69.938804
"564418"	819.509902	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+2Cl"	69.938804
"1035528"	296.482902	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2Cl"	69.938804
"1254015"	601.945885	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Br"	78.918885
"1315371"	604.001872	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Cl+HCOOH"	80.974872
"1330679"	625.983829	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Cl+NaCOOH"	102.956829
"923195"	636.012586	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M-H+CF3COOH"	112.985586
"1298443"	671.989264	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Cl+CF3COOH"	148.962264
"1377697"	488.014324	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H-2H2O"	-35.012676
"1387540"	506.0243	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H-H2O"	-17.0027
"283942"	1047.061276	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+H"	1.007276
"678187"	1570.088276	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+H"	1.007276
"1352711"	524.034276	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H"	1.007276
"128154"	524.034276	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+2H"	2.014552
"572825"	785.547776	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+2H"	2.014552
"1051840"	262.520776	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2H"	2.014552
"219892"	349.691942666667	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+3H"	3.021828
"659663"	524.034276	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+3H"	3.021828
"1169404"	175.349609333333	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+3H"	3.021828
"430489"	1064.087823	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+NH4"	18.033823
"793670"	1587.114823	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+NH4"	18.033823
"1696536"	541.060823	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+NH4"	18.033823
"345612"	532.5475495	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+H+NH4"	19.041099
"736544"	794.0610495	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+H+NH4"	19.041099
"1483438"	271.0340495	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H+NH4"	19.041099
"401023"	1069.043218	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+Na"	22.989218
"765301"	1592.070218	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+Na"	22.989218
"1616676"	546.016218	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Na"	22.989218
"324158"	535.025247	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+H+Na"	23.996494
"715852"	796.538747	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+H+Na"	23.996494
"1468578"	273.511747	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H+Na"	23.996494
"1061826"	182.676923333333	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2H+Na"	25.00377
"1272299"	556.060486	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+CH3OH+H"	33.033486
"387547"	1085.017158	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+K"	38.963158
"751824"	1608.044158	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+K"	38.963158
"1549502"	561.990158	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+K"	38.963158
"311785"	543.012217	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+H+K"	39.970434
"699102"	804.525717	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+H+K"	39.970434
"1452922"	281.498717	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H+K"	39.970434
"244804"	1088.087826	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+ACN+H"	42.033826
"1219701"	565.060826	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+ACN+H"	42.033826
"1200305"	283.034051	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+ACN+2H"	43.041102
"194269"	1091.02516	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+2Na-H"	44.97116
"636015"	1614.05216	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+2Na-H"	44.97116
"1146957"	567.99816	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2Na-H"	44.97116
"187188"	546.016218	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+2Na"	45.978436
"626021"	807.529718	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+2Na"	45.978436
"1126976"	284.502718	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2Na"	45.978436
"1406123"	190.004237333333	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H+2Na"	46.985712
"1441524"	570.039746	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H+HCOOH"	47.012746
"229031"	551.04924	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+3H2O+2H"	56.04448
"1513811"	584.09179	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+IsoProp+H"	61.06479
"414593"	554.003188	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+Na+K"	61.952376
"774492"	815.516688	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+Na+K"	61.952376
"1681125"	292.489688	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Na+K"	61.952376
"263913"	1110.069768	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+ACN+Na"	64.015768
"1239905"	587.042768	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+ACN+Na"	64.015768
"1726854"	587.066293	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+NH4+HCOOH"	64.039293
"1193420"	197.331551333333	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+3Na"	68.967654
"1658581"	592.021688	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Na+HCOOH"	68.994688
"168722"	1122.97304	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+2K-H"	76.91904
"612296"	1646.00004	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+2K-H"	76.91904
"1099639"	599.94604	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2K-H"	76.91904
"155074"	561.990158	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"2M+2K"	77.926316
"589166"	823.503658	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"3M+2K"	77.926316
"1074773"	300.476658	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2K"	77.926316
"1104702"	601.960592	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2K+H"	78.933592
"1347647"	602.048207	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+DMSO+H"	79.021207
"1015087"	606.087376	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2ACN+H"	83.060376
"1537596"	607.081008	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+IsoProp+Na+H"	84.054008
"999668"	303.547326	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+2ACN+2H"	84.067652
"1595264"	607.995628	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+K+HCOOH"	84.968628
"1426390"	638.027138	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+H+CF3COOH"	115.000138
"1156677"	324.060601	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+3ACN+2H"	125.094202
"1704042"	655.053685	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+NH4+CF3COOH"	132.026685
"1637504"	660.00908	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+Na+CF3COOH"	136.98208
"1586279"	675.98302	"C06149"	"6-(3-Triphosphoryl-1-methylglyceryl)-7-methyl-78-dihydrobiopterin"	"C11H20N5O13P3"	"523.027"	"M+K+CF3COOH"	152.95602
"810083"	180.0634	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M"	0
"983616"	161.04501	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"65297"	119.034990666667	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"511419"	179.056124	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"893961"	59.0138573333333	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"11074"	179.056124	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"453428"	269.087824	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"827342"	89.024424	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"84057"	359.119524	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"524711"	539.182924	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"902511"	179.056124	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"54701"	376.146071	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"494261"	556.209471	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"873157"	196.082671	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"35591"	381.101466	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"479524"	561.164866	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"862805"	201.038066	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1632338"	201.038066	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"105586"	197.044463	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"542957"	287.076163	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"941942"	107.012763	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"273937"	395.096202	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"666358"	575.159602	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1280948"	215.032802	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"21317"	397.075406	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"464159"	577.138806	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"839773"	217.012006	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1564357"	217.012006	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"951145"	225.061594	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"364620"	405.125001	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"345951"	419.140651	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1495513"	239.077251	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"959775"	247.043551	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"113057"	215.032802	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"561369"	305.064502	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1036369"	125.001102	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1254855"	258.982285	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1312200"	261.038272	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1330790"	283.020229	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"921848"	293.048986	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1300377"	329.025664	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1377807"	145.050724	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1385462"	163.0607	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"284420"	361.134076	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"677933"	541.197476	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1356105"	181.070676	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"131181"	181.070676	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"570748"	271.102376	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1052314"	91.038976	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"219608"	121.049542666667	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"659166"	181.070676	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1169512"	61.0284093333333	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"430596"	378.160623	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791594"	558.224023	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1695225"	198.097223	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"344961"	189.5839495	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"737626"	279.6156495	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1484641"	99.5522495	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"398946"	383.116018	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"764317"	563.179418	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1616786"	203.052618	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"323539"	192.061647	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"714869"	282.093347	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1467595"	102.029947	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1058656"	68.3557233333333	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1270176"	213.096886	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"383284"	399.089958	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"750841"	579.153358	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1549612"	219.026558	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"307884"	200.048617	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"697023"	290.080317	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1451938"	110.016917	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"241634"	402.160626	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1213613"	222.097226	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1198229"	111.552251	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"194379"	405.09796	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"636125"	585.16136	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1144007"	225.03456	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"184016"	203.052618	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"622121"	293.084318	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1122349"	113.020918	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1405869"	75.6830373333333	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1439448"	227.076146	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"227684"	208.08564	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1513921"	241.12819	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"414703"	211.039588	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"774602"	301.071288	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1681154"	121.007888	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"264023"	424.142568	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1240988"	244.079168	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1727447"	244.102693	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1189881"	83.0103513333333	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1664154"	249.058088	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"167738"	437.04584	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"612360"	617.10924	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1099098"	256.98244	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"155184"	219.026558	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"589276"	309.058258	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1073790"	128.994858	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1105905"	258.996992	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1347757"	259.084607	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1015197"	263.123776	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1537342"	264.117408	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1003058"	132.065526	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1598654"	265.032028	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1427593"	295.063538	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1156787"	152.578801	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1704152"	312.090085	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1637614"	317.04548	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1586389"	333.01942	"C06151"	"1L-chiro-Inositol;(-)-Inositol"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"810193"	180.0634	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M"	0
"983726"	161.04501	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"67593"	119.034990666667	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"515538"	179.056124	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"892609"	59.0138573333333	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"12643"	179.056124	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"454390"	269.087824	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"829639"	89.024424	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"87448"	359.119524	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"529195"	539.182924	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"910279"	179.056124	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"52624"	376.146071	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"496559"	556.209471	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"867072"	196.082671	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"35699"	381.101466	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"476354"	561.164866	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"861823"	201.038066	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1633545"	201.038066	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"109222"	197.044463	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"545254"	287.076163	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"940232"	107.012763	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"276234"	395.096202	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"670842"	575.159602	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1281058"	215.032802	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"20333"	397.075406	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"462082"	577.138806	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"843163"	217.012006	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1565560"	217.012006	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"954171"	225.061594	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"367283"	405.125001	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"350073"	419.140651	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1499998"	239.077251	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"965354"	247.043551	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"113167"	215.032802	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"559293"	305.064502	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1032466"	125.001102	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1253142"	258.982285	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1312310"	261.038272	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1326526"	283.020229	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"918678"	293.048986	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1301947"	329.025664	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1379378"	145.050724	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1385938"	163.0607	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"286719"	361.134076	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"678411"	541.197476	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1354032"	181.070676	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"127158"	181.070676	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"579246"	271.102376	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1052506"	91.038976	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"217772"	121.049542666667	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"652593"	181.070676	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1175088"	61.0284093333333	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"430708"	378.160623	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791704"	558.224023	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1695334"	198.097223	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"343975"	189.5839495	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"738182"	279.6156495	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1486938"	99.5522495	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"404526"	383.116018	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"764426"	563.179418	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1617384"	203.052618	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"328757"	192.061647	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"713886"	282.093347	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1469527"	102.029947	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1058766"	68.3557233333333	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1269193"	213.096886	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"384487"	399.089958	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"750951"	579.153358	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1549722"	219.026558	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"305806"	200.048617	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"696042"	290.080317	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1456422"	110.016917	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"247939"	402.160626	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1217734"	222.097226	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1199432"	111.552251	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"196675"	405.09796	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"642067"	585.16136	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1144849"	225.03456	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"184494"	203.052618	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624054"	293.084318	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1123188"	113.020918	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1411448"	75.6830373333333	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1441381"	227.076146	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"229981"	208.08564	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1517313"	241.12819	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415906"	211.039588	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"776900"	301.071288	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1680532"	121.007888	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"261580"	424.142568	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1239029"	244.079168	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1727316"	244.102693	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1193839"	83.0103513333333	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1663171"	249.058088	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"171128"	437.04584	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"612390"	617.10924	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1098360"	256.98244	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"153107"	219.026558	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"591573"	309.058258	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1077180"	128.994858	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1104922"	258.996992	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1347867"	259.084607	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1015307"	263.123776	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1536716"	264.117408	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1000980"	132.065526	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1598762"	265.032028	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1425516"	295.063538	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1154710"	152.578801	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1703167"	312.090085	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1635536"	317.04548	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1586499"	333.01942	"C06152"	"muco-Inositol"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"813583"	180.0634	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M"	0
"986024"	161.04501	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"69891"	119.034990666667	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"510547"	179.056124	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"891264"	59.0138573333333	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"12026"	179.056124	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"453041"	269.087824	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"831574"	89.024424	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"86465"	359.119524	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"528212"	539.182924	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"909293"	179.056124	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"54921"	376.146071	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"496669"	556.209471	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"871192"	196.082671	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"36905"	381.101466	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"479745"	561.164866	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"862785"	201.038066	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1631831"	201.038066	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"106900"	197.044463	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"543177"	287.076163	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"935600"	107.012763	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"267757"	395.096202	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"662202"	575.159602	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1274608"	215.032802	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"18256"	397.075406	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"462189"	577.138806	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"836710"	217.012006	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1560198"	217.012006	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"953550"	225.061594	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"367393"	405.125001	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351275"	419.140651	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1499014"	239.077251	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"966560"	247.043551	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"116560"	215.032802	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"561591"	305.064502	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1033671"	125.001102	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1252159"	258.982285	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1311327"	261.038272	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1327731"	283.020229	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"917696"	293.048986	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1300963"	329.025664	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1380216"	145.050724	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1386777"	163.0607	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"286465"	361.134076	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"677793"	541.197476	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1356328"	181.070676	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"130306"	181.070676	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"577169"	271.102376	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1052375"	91.038976	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"219339"	121.049542666667	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"658171"	181.070676	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1168639"	61.0284093333333	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"426447"	378.160623	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"790720"	558.224023	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1693621"	198.097223	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"340805"	189.5839495	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"734321"	279.6156495	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1485953"	99.5522495	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"398072"	383.116018	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"759067"	563.179418	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1610445"	203.052618	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"324856"	192.061647	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"715815"	282.093347	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1466721"	102.029947	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1056689"	68.3557233333333	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1269305"	213.096886	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"387879"	399.089958	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"752888"	579.153358	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1550929"	219.026558	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"311389"	200.048617	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"704539"	290.080317	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1454347"	110.016917	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"250481"	402.160626	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1223798"	222.097226	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1207195"	111.552251	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"202742"	405.09796	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"643275"	585.16136	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1144962"	225.03456	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"186064"	203.052618	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"625260"	293.084318	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1129130"	113.020918	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410104"	75.6830373333333	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1441493"	227.076146	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"233010"	208.08564	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1519977"	241.12819	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"416747"	211.039588	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"779197"	301.071288	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1678089"	121.007888	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"263514"	424.142568	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1237687"	244.079168	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1724018"	244.102693	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1193388"	83.0103513333333	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1657813"	249.058088	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"170873"	437.04584	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"611649"	617.10924	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1097496"	256.98244	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"155651"	219.026558	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"595574"	309.058258	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1080570"	128.994858	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1111593"	258.996992	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1350289"	259.084607	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1014324"	263.123776	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1534639"	264.117408	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1001088"	132.065526	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1591216"	265.032028	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1425626"	295.063538	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1155914"	152.578801	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1703277"	312.090085	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1635646"	317.04548	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1586609"	333.01942	"C06153"	"scyllo-Inositol;Scyllitol"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"813693"	260.0297	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"986134"	241.01131	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"73282"	172.345857333333	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"512845"	259.022424	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"888458"	85.6692906666667	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"12499"	259.022424	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"452057"	389.037274	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"826579"	129.007574	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"89857"	519.052124	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"532577"	779.081824	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"906125"	259.022424	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"55033"	536.078671	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"497874"	796.108371	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"872396"	276.048971	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"40296"	541.034066	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"476575"	801.063766	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"860948"	281.004366	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1632668"	281.004366	"C06155"	"myo-Inositol 5-phosphate;1D-myo-Inositol 5-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
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"1632414"	280.020366	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na-2H"	20.974666
"107123"	276.026763	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H+Cl"	33.962126
"546680"	405.549613	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H+Cl"	33.962126
"938008"	146.503913	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+Cl"	33.962126
"268909"	553.060802	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Cl"	34.969402
"667889"	812.106502	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Cl"	34.969402
"1274828"	294.015102	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl"	34.969402
"17383"	555.040006	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+K"	36.948606
"462410"	814.085706	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+K"	36.948606
"840211"	295.994306	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+K"	36.948606
"1566981"	295.994306	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K-2H"	36.948606
"951583"	304.043894	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+HCOOH"	44.998194
"374172"	563.089601	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+HCOOH-H"	44.998201
"353681"	577.105251	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Hac-H"	59.013851
"1495954"	318.059551	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Hac-H"	59.013851
"966774"	326.025851	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+NaCOOH"	66.980151
"115687"	294.015102	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Cl"	69.938804
"560358"	423.537952	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Cl"	69.938804
"1030614"	164.492252	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Cl"	69.938804
"1250194"	337.964585	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Br"	78.918885
"1313735"	340.020572	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+HCOOH"	80.974872
"1326858"	362.002529	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+NaCOOH"	102.956829
"919011"	372.031286	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+CF3COOH"	112.985586
"1299000"	408.007964	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+CF3COOH"	148.962264
"1380073"	224.033024	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-2H2O"	-35.012676
"1385905"	242.043	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-H2O"	-17.0027
"284498"	519.098676	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H"	1.007276
"681294"	778.144376	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H"	1.007276
"1356548"	260.052976	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H"	1.007276
"128705"	260.052976	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2H"	2.014552
"580672"	389.575826	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2H"	2.014552
"1050200"	130.530126	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H"	2.014552
"214456"	173.704409333333	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H"	3.021828
"655110"	260.052976	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+3H"	3.021828
"1165579"	87.3558426666667	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+3H"	3.021828
"427758"	536.125223	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+NH4"	18.033823
"790939"	795.170923	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+NH4"	18.033823
"1693841"	277.079523	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4"	18.033823
"337743"	268.5662495	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+NH4"	19.041099
"733447"	398.0890995	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+NH4"	19.041099
"1482894"	139.0433995	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+NH4"	19.041099
"401574"	541.080618	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na"	22.989218
"762568"	800.126318	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na"	22.989218
"1609572"	282.034918	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na"	22.989218
"318880"	271.043947	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+Na"	23.996494
"716399"	400.566797	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+Na"	23.996494
"1465120"	141.521097	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+Na"	23.996494
"1056909"	94.6831566666667	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H+Na"	25.00377
"1269527"	292.079186	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+CH3OH+H"	33.033486
"388099"	557.054558	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+K"	38.963158
"753836"	816.100258	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+K"	38.963158
"1550785"	298.008858	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K"	38.963158
"303949"	279.030917	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+K"	39.970434
"696372"	408.553767	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+K"	39.970434
"1456756"	149.508067	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+K"	39.970434
"247543"	560.125226	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+H"	42.033826
"1220253"	301.079526	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+H"	42.033826
"1207056"	151.043401	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+2H"	43.041102
"201020"	563.06256	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na-H"	44.97116
"639486"	822.10826	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na-H"	44.97116
"1144085"	304.01686	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na-H"	44.97116
"185190"	282.034918	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na"	45.978436
"624387"	411.557768	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na"	45.978436
"1127528"	152.512068	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na"	45.978436
"1409229"	102.010470666667	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+2Na"	46.985712
"1437701"	306.058446	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+HCOOH"	47.012746
"232500"	287.06794	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H2O+2H"	56.04448
"1516551"	320.11049	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+H"	61.06479
"418425"	290.021888	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na+K"	61.952376
"776138"	419.544738	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na+K"	61.952376
"1676851"	160.499038	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+K"	61.952376
"261183"	582.107168	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+Na"	64.015768
"1241152"	323.061468	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+Na"	64.015768
"1726061"	323.084993	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+HCOOH"	64.039293
"1193849"	109.337784666667	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+3Na"	68.967654
"1663502"	328.040388	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+HCOOH"	68.994688
"172188"	595.01044	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K-H"	76.91904
"611019"	854.05614	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K-H"	76.91904
"1099300"	335.96474	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K-H"	76.91904
"154533"	298.008858	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K"	77.926316
"595185"	427.531708	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K"	77.926316
"1081887"	168.486008	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K"	77.926316
"1112911"	337.979292	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K+H"	78.933592
"1344919"	338.066907	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+DMSO+H"	79.021207
"1016731"	342.106076	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+H"	83.060376
"1534859"	343.099708	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+Na+H"	84.054008
"1002401"	171.556676	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+2H"	84.067652
"1596903"	344.014328	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+HCOOH"	84.968628
"1414782"	374.045838	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+CF3COOH"	115.000138
"1149570"	192.069951	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+3ACN+2H"	125.094202
"1703497"	391.072385	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+CF3COOH"	132.026685
"1635867"	396.02778	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+CF3COOH"	136.98208
"1586829"	412.00172	"C06156"	"alpha-D-Glucosamine 1-phosphate;D-Glucosamine 1-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+CF3COOH"	152.95602
"812824"	162.0528	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M"	0
"988784"	143.03441	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"75691"	107.027924	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"516345"	161.045524	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"894147"	53.010324	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"11262"	161.045524	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"450824"	242.071924	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"826804"	80.019124	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"90077"	323.098324	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"531464"	485.151124	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"905253"	161.045524	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"55254"	340.124871	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"498097"	502.177671	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"872619"	178.072071	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"32865"	345.080266	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"481179"	507.133066	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"861534"	183.027466	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1633253"	183.027466	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"109054"	179.033863	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"547886"	260.060263	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"940306"	98.007463	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"274487"	359.075002	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"671285"	521.127802	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1282594"	197.022202	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"21868"	361.054206	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"459240"	523.107006	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"840322"	199.001406	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1560531"	199.001406	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"948413"	207.050994	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"366628"	369.103801	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"349421"	383.119451	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1496064"	221.066651	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"970174"	229.032951	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"120544"	197.022202	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"560834"	278.048602	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1029633"	115.995802	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1249212"	240.971685	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1309473"	243.027672	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1326969"	265.009629	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"923132"	275.038386	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1299109"	311.015064	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1371799"	127.040124	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1389297"	145.0501	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"290079"	325.112876	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"682497"	487.165676	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1358844"	163.060076	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"138306"	163.060076	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"574222"	244.086476	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1043383"	82.033676	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"216023"	109.042476	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"651939"	163.060076	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1165691"	55.024876	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"426775"	342.139423	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"797619"	504.192223	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1692857"	180.086623	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"336764"	171.5733495	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"729184"	252.5997495	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1483003"	90.5469495	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"396215"	347.094818	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"762680"	509.147618	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1608590"	185.042018	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"317533"	174.051047	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"715059"	255.077447	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1471796"	93.024647	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1063585"	62.35219	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1270366"	195.086286	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"386025"	363.068758	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"751395"	525.121558	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1553811"	201.015958	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"307342"	182.038017	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"697576"	263.064417	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1454676"	101.011617	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"247652"	366.139426	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1224128"	204.086626	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1203158"	102.546951	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"199308"	369.07676	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"636680"	531.12956	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1142740"	207.02396	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"181292"	185.042018	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"622310"	266.068418	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1125088"	104.015618	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1403510"	69.679504	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1437813"	209.065546	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"231517"	190.07504	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1520311"	223.11759	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"419994"	193.028988	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"782456"	274.055388	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1680983"	112.002588	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"266404"	388.121368	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1240691"	226.068568	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1726904"	226.092093	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1193599"	77.006818	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1665359"	231.047488	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"171567"	401.02464	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"611131"	563.07744	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1098562"	238.97184	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"156346"	201.015958	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"595180"	282.042358	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1081637"	119.989558	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1111928"	240.986392	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1349406"	241.074007	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1019032"	245.113176	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1534971"	246.106808	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"1001418"	123.060226	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1598107"	247.021428	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1422674"	277.052938	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1150775"	143.573501	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1707982"	294.079485	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1642542"	299.03488	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1586940"	315.00882	"C06158"	"D-Fucono-14-lactone"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"815118"	162.0528	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M"	0
"989015"	143.03441	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"72523"	107.027924	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"509894"	161.045524	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"889884"	53.010324	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"9550"	161.045524	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"450205"	242.071924	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"821447"	80.019124	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"89095"	323.098324	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"527564"	485.151124	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"900989"	161.045524	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"54271"	340.124871	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"490553"	502.177671	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"865196"	178.072071	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"34069"	345.080266	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"480196"	507.133066	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"860915"	183.027466	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1630448"	183.027466	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"104061"	179.033863	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"543624"	260.060263	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"936044"	98.007463	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"274597"	359.075002	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"668115"	521.127802	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1279424"	197.022202	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"18698"	361.054206	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"459350"	523.107006	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"840432"	199.001406	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1560641"	199.001406	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"945607"	207.050994	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"364916"	369.103801	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"348436"	383.119451	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1495443"	221.066651	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"970284"	229.032951	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"119194"	197.022202	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"562036"	278.048602	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1026463"	115.995802	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1249321"	240.971685	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1308489"	243.027672	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1325985"	265.009629	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"924699"	275.038386	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1301039"	311.015064	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1369723"	127.040124	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1390500"	145.0501	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"292375"	325.112876	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"681514"	487.165676	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1357861"	163.060076	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"139754"	163.060076	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"574332"	244.086476	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1046409"	82.033676	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"213581"	109.042476	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"652049"	163.060076	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1165801"	55.024876	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"427978"	342.139423	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"790069"	504.192223	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1692967"	180.086623	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"337968"	171.5733495	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"730387"	252.5997495	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1483113"	90.5469495	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"396325"	347.094818	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"760604"	509.147618	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1608700"	185.042018	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"317643"	174.051047	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"714076"	255.077447	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1470448"	93.024647	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1062600"	62.35219	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1266465"	195.086286	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"383948"	363.068758	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"744944"	525.121558	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1551369"	201.015958	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"309639"	182.038017	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"703154"	263.064417	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1454787"	101.011617	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"243388"	366.139426	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1221565"	204.086626	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1201078"	102.546951	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"192856"	369.07676	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"637881"	531.12956	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1138110"	207.02396	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"180308"	185.042018	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"622053"	266.068418	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1123374"	104.015618	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1402525"	69.679504	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1434643"	209.065546	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"231263"	190.07504	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1518961"	223.11759	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"418645"	193.028988	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"774176"	274.055388	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1681089"	112.002588	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"260310"	388.121368	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1238488"	226.068568	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1726284"	226.092093	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1192737"	77.006818	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1660443"	231.047488	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"169490"	401.02464	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"611238"	563.07744	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1099033"	238.97184	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"154754"	201.015958	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"595407"	282.042358	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1078826"	119.989558	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1111671"	240.986392	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1347330"	241.074007	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1012578"	245.113176	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1531799"	246.106808	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"996060"	123.060226	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1588375"	247.021428	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1414298"	277.052938	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1147841"	143.573501	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1697520"	294.079485	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1642649"	299.03488	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1572832"	315.00882	"C06159"	"2-Dehydro-3-deoxy-D-fuconate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"809763"	271.1208	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M"	0
"980013"	252.10241	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"64977"	179.739924	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"511097"	270.113524	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"886712"	89.366324	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"9661"	270.113524	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"451413"	405.673924	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"821556"	134.553124	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"88110"	541.234324	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"528766"	812.355124	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"898183"	270.113524	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"53287"	558.260871	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"487741"	829.381671	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"866399"	287.140071	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"36367"	563.216266	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"480306"	834.337066	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"861389"	292.095466	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1631288"	292.095466	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"104171"	288.101863	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"544827"	423.662263	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"937977"	152.541463	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"274707"	577.211002	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"670411"	848.331802	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1278441"	306.090202	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"19902"	579.190206	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"462742"	850.311006	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"840544"	308.069406	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1560751"	308.069406	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"948633"	316.118994	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"363932"	587.239801	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"348545"	601.255451	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1495554"	330.134651	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"963099"	338.100951	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"119304"	306.090202	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"561417"	441.650602	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1028759"	170.529802	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1249431"	350.039685	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1310786"	352.095672	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1327188"	374.077629	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"923351"	384.106386	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1302606"	420.083064	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1371290"	236.108124	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1388424"	254.1181	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"292485"	543.248876	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"681624"	814.369676	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1356878"	272.128076	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"139864"	272.128076	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"574806"	407.688476	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1045790"	136.567676	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"213691"	181.754476	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"652159"	272.128076	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1165911"	91.380876	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"426995"	560.275423	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"790179"	831.396223	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1693077"	289.154623	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"340264"	280.6413495	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"732684"	416.2017495	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1483223"	145.0809495	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"399716"	565.230818	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"758159"	836.351618	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1610998"	294.110018	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"319938"	283.119047	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"711631"	418.679447	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1466546"	147.558647	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1061617"	98.70819	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1263295"	304.154286	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"382965"	581.204758	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"745054"	852.325558	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1552573"	310.083958	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"309749"	291.106017	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"699984"	426.666417	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1454897"	155.545617	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"243498"	584.275426	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1222767"	313.154626	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1206649"	157.080951	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"197339"	587.21276	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"636899"	858.33356	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1140407"	316.09196	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"181510"	294.110018	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"622164"	429.670418	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1125671"	158.549618	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1405917"	106.035504	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1434753"	318.133546	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"226634"	299.14304	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1516885"	332.18559	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"418755"	302.096988	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"773193"	437.657388	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1680107"	166.536588	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"260420"	606.257368	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1238234"	335.136568	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1727616"	335.160093	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1191877"	113.362818	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1661646"	340.115488	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"169600"	619.16064	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"610619"	890.28144	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1098046"	348.03984	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"155956"	310.083958	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"594422"	445.644358	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1083309"	174.523558	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1113967"	350.054392	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1348533"	350.142007	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1013781"	354.181176	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1531909"	355.174808	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"995076"	177.594226	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1588485"	356.089428	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1415358"	386.120938	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1147584"	198.107501	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1700546"	403.147485	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1634852"	408.10288	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1571848"	424.07682	"C06160"	"(S)-Norcoclaurine;67-Dihydroxy-(1S)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"814244"	285.1365	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M"	0
"981217"	266.11811	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"73834"	189.083724	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"514489"	284.129224	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"891197"	94.038224	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"10865"	284.129224	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"451523"	426.697474	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"820574"	141.560974	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"89313"	569.265724	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"528877"	854.402224	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"897078"	284.129224	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"50118"	586.292271	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"491866"	871.428771	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"868576"	301.155771	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"39759"	591.247666	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"480416"	876.384166	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"858219"	306.111166	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1629937"	306.111166	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"102095"	302.117563	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"543842"	444.685813	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"938449"	159.549313	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"275916"	605.242402	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"671250"	890.378902	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1282198"	320.105902	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"24387"	607.221606	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"466133"	892.358106	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"847214"	322.085106	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1566328"	322.085106	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"949836"	330.134694	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"371333"	615.271201	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"353032"	629.286851	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1496393"	344.150351	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"963938"	352.116651	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"119415"	320.105902	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"558245"	462.674152	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1025587"	177.537652	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1243706"	364.055385	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1305790"	366.111372	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1324381"	388.093329	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"914711"	398.122086	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1292877"	434.098764	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1372131"	250.123824	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1391814"	268.1338	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"292595"	571.280276	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"682829"	856.416776	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1355896"	286.143776	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"140094"	286.143776	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"574916"	428.712026	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1043715"	143.575526	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"213802"	191.098276	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"650082"	286.143776	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1167114"	96.052776	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"429291"	588.306823	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"790289"	873.443323	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1684434"	303.170323	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"340370"	294.6570495	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"732794"	437.2252995	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1487706"	152.0887995	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"399826"	593.262218	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"761914"	878.398718	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1612196"	308.125718	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"322234"	297.134747	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"711377"	439.702997	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1470666"	154.566497	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1062820"	103.38009	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1266685"	318.169986	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"383075"	609.236158	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"745164"	894.372658	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1552683"	324.099658	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"309859"	305.121717	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"705561"	447.689967	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1457194"	162.553467	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"244701"	612.306826	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1225188"	327.170326	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1206760"	164.088801	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"197449"	615.24416	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"638105"	900.38066	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1141611"	330.10766	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"182713"	308.125718	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"624461"	450.693968	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1124688"	165.557468	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1401652"	110.707404	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1430116"	332.149246	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"226745"	313.15874	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1512620"	346.20129	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"413398"	316.112688	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"771116"	458.680938	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1680662"	173.544438	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"262717"	634.288768	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1237980"	349.152268	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1728251"	349.175793	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1192957"	118.034718	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1661755"	354.131188	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"168617"	647.19204	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"609270"	932.32854	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1097431"	362.05554	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"155217"	324.099658	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"593439"	466.667908	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1077952"	181.531408	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1112254"	364.070092	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1347186"	364.157707	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1013894"	368.196876	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1532019"	369.190508	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"997373"	184.602076	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1591875"	370.105128	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1414192"	400.136638	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1147451"	205.115351	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1697164"	417.163185	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1636308"	422.11858	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1573052"	438.09252	"C06161"	"(S)-Coclaurine;Coclaurine;(S)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol;1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1234-tetrahydroisoquinoline"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"814354"	332.0923	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M"	0
"983512"	313.07391	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-H2O-H"	-19.01839
"73944"	220.387590666667	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M-3H"	-3.021828
"514599"	331.085024	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M-3H"	-3.021828
"892400"	109.690157333333	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-3H"	-3.021828
"15309"	331.085024	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M-2H"	-2.014552
"453456"	497.131174	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M-2H"	-2.014552
"825056"	165.038874	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-2H"	-2.014552
"90516"	663.177324	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M-H"	-1.007276
"531173"	995.269624	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M-H"	-1.007276
"899132"	331.085024	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-H"	-1.007276
"52415"	680.203871	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M-2H+NH4"	16.019271
"494163"	1012.296171	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M-2H+NH4"	16.019271
"868686"	348.111571	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-2H+NH4"	16.019271
"38776"	685.159266	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M-2H+Na"	20.974666
"478339"	1017.251566	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M-2H+Na"	20.974666
"858329"	353.066966	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-2H+Na"	20.974666
"1628954"	353.066966	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Na-2H"	20.974666
"102205"	349.073363	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M-H+Cl"	33.962126
"543952"	515.119513	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M-H+Cl"	33.962126
"937466"	183.027213	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-H+Cl"	33.962126
"276026"	699.154002	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+Cl"	34.969402
"670631"	1031.246302	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+Cl"	34.969402
"1280850"	367.061702	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Cl"	34.969402
"26684"	701.133206	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M-2H+K"	36.948606
"469524"	1033.225506	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M-2H+K"	36.948606
"847570"	369.040906	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-2H+K"	36.948606
"1566438"	369.040906	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+K-2H"	36.948606
"951039"	377.090494	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-H+HCOOH"	44.998194
"373266"	709.182801	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+HCOOH-H"	44.998201
"359949"	723.198451	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+Hac-H"	59.013851
"1501972"	391.106151	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Hac-H"	59.013851
"963319"	399.072451	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-H+NaCOOH"	66.980151
"118432"	367.061702	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+2Cl"	69.938804
"559084"	533.107852	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+2Cl"	69.938804
"1024968"	201.015552	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2Cl"	69.938804
"1245640"	411.011185	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Br"	78.918885
"1308454"	413.067172	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Cl+HCOOH"	80.974872
"1324855"	435.049129	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Cl+NaCOOH"	102.956829
"918102"	445.077886	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M-H+CF3COOH"	112.985586
"1298454"	481.054564	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Cl+CF3COOH"	148.962264
"1375522"	297.079624	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H-2H2O"	-35.012676
"1397393"	315.0896	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H-H2O"	-17.0027
"292705"	665.191876	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+H"	1.007276
"688408"	997.284176	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+H"	1.007276
"1358192"	333.099576	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H"	1.007276
"139476"	333.099576	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+2H"	2.014552
"579038"	499.145726	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+2H"	2.014552
"1048929"	167.053426	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2H"	2.014552
"218651"	222.402142666667	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+3H"	3.021828
"650192"	333.099576	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+3H"	3.021828
"1168317"	111.704709333333	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+3H"	3.021828
"431588"	682.218423	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+NH4"	18.033823
"790399"	1014.310723	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+NH4"	18.033823
"1685637"	350.126123	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+NH4"	18.033823
"339387"	341.6128495	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+H+NH4"	19.041099
"732904"	507.6589995	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+H+NH4"	19.041099
"1487817"	175.5666995	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H+NH4"	19.041099
"405404"	687.173818	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+Na"	22.989218
"765305"	1019.266118	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+Na"	22.989218
"1615589"	355.081518	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Na"	22.989218
"321251"	344.090547	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+H+Na"	23.996494
"713673"	510.136697	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+H+Na"	23.996494
"1470777"	178.044397	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H+Na"	23.996494
"1061836"	119.032023333333	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2H+Na"	25.00377
"1265702"	365.125786	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+CH3OH+H"	33.033486
"379905"	703.147758	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+K"	38.963158
"744181"	1035.240058	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+K"	38.963158
"1550606"	371.055458	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+K"	38.963158
"309969"	352.077517	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+H+K"	39.970434
"705671"	518.123667	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+H+K"	39.970434
"1461243"	186.031367	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H+K"	39.970434
"248092"	706.218426	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+ACN+H"	42.033826
"1225605"	374.126126	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+ACN+H"	42.033826
"1209890"	187.566701	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+ACN+2H"	43.041102
"203271"	709.15576	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+2Na-H"	44.97116
"641861"	1041.24806	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+2Na-H"	44.97116
"1142816"	377.06346	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2Na-H"	44.97116
"185378"	355.081518	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+2Na"	45.978436
"627124"	521.127668	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+2Na"	45.978436
"1129538"	189.035368	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2Na"	45.978436
"1406136"	126.359337333333	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H+2Na"	46.985712
"1434970"	379.105046	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H+HCOOH"	47.012746
"229042"	360.11454	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+3H2O+2H"	56.04448
"1517101"	393.15709	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+IsoProp+H"	61.06479
"420067"	363.068488	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+Na+K"	61.952376
"772319"	529.114638	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+Na+K"	61.952376
"1680323"	197.022338	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Na+K"	61.952376
"262827"	728.200368	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+ACN+Na"	64.015768
"1238818"	396.108068	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+ACN+Na"	64.015768
"1718954"	396.131593	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+NH4+HCOOH"	64.039293
"1192462"	133.686651333333	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+3Na"	68.967654
"1662959"	401.086988	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Na+HCOOH"	68.994688
"167634"	741.10364	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+2K-H"	76.91904
"609380"	1073.19594	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+2K-H"	76.91904
"1097174"	409.01134	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2K-H"	76.91904
"153989"	371.055458	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"2M+2K"	77.926316
"591362"	537.101608	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"3M+2K"	77.926316
"1078062"	205.009308	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2K"	77.926316
"1110177"	411.025892	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2K+H"	78.933592
"1346566"	411.113507	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+DMSO+H"	79.021207
"1014003"	415.152676	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2ACN+H"	83.060376
"1526662"	416.146308	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+IsoProp+Na+H"	84.054008
"997483"	208.079976	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+2ACN+2H"	84.067652
"1587366"	417.060928	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+K+HCOOH"	84.968628
"1414522"	447.092438	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+H+CF3COOH"	115.000138
"1148656"	228.593251	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+3ACN+2H"	125.094202
"1697233"	464.118985	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+NH4+CF3COOH"	132.026685
"1636418"	469.07438	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+Na+CF3COOH"	136.98208
"1575349"	485.04832	"C06162"	"Sanguinarine"	"C20H14NO4"	"332.0923"	"M+K+CF3COOH"	152.95602
"814464"	338.1392	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M"	0
"988969"	319.12081	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-H2O-H"	-19.01839
"77336"	224.418857333333	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M-3H"	-3.021828
"516895"	337.131924	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M-3H"	-3.021828
"895510"	111.705790666667	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-3H"	-3.021828
"14369"	337.131924	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M-2H"	-2.014552
"453935"	506.201524	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M-2H"	-2.014552
"824076"	168.062324	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-2H"	-2.014552
"89535"	675.271124	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M-H"	-1.007276
"530921"	1013.410324	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M-H"	-1.007276
"899245"	337.131924	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-H"	-1.007276
"54714"	692.297671	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M-2H+NH4"	16.019271
"493180"	1030.436871	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M-2H+NH4"	16.019271
"873172"	354.158471	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-2H+NH4"	16.019271
"41072"	697.253066	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M-2H+Na"	20.974666
"485013"	1035.392266	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M-2H+Na"	20.974666
"862451"	359.113866	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-2H+Na"	20.974666
"1633808"	359.113866	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Na-2H"	20.974666
"105234"	355.120263	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M-H+Cl"	33.962126
"545523"	524.189863	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M-H+Cl"	33.962126
"938672"	186.050663	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-H+Cl"	33.962126
"280147"	711.247802	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+Cl"	34.969402
"671837"	1049.387002	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+Cl"	34.969402
"1282055"	373.108602	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Cl"	34.969402
"27160"	713.227006	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M-2H+K"	36.948606
"469270"	1051.366206	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M-2H+K"	36.948606
"846466"	375.087806	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-2H+K"	36.948606
"1567642"	375.087806	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+K-2H"	36.948606
"951149"	383.137394	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-H+HCOOH"	44.998194
"373740"	721.276601	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+HCOOH-H"	44.998201
"359812"	735.292251	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+Hac-H"	59.013851
"1502082"	397.153051	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Hac-H"	59.013851
"963429"	405.119351	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-H+NaCOOH"	66.980151
"121459"	373.108602	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+2Cl"	69.938804
"561381"	542.178202	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+2Cl"	69.938804
"1026902"	204.039002	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2Cl"	69.938804
"1253040"	417.058085	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Br"	78.918885
"1312210"	419.114072	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Cl+HCOOH"	80.974872
"1329707"	441.096029	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Cl+NaCOOH"	102.956829
"926352"	451.124786	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M-H+CF3COOH"	112.985586
"1303549"	487.101464	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Cl+CF3COOH"	148.962264
"1380372"	303.126524	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H-2H2O"	-35.012676
"1396413"	321.1365	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H-H2O"	-17.0027
"298491"	677.285676	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+H"	1.007276
"690463"	1015.424876	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+H"	1.007276
"1360855"	339.146476	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H"	1.007276
"141295"	339.146476	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+2H"	2.014552
"580241"	508.216076	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+2H"	2.014552
"1052290"	170.076876	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2H"	2.014552
"219851"	226.433409333333	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+3H"	3.021828
"657956"	339.146476	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+3H"	3.021828
"1173894"	113.720342666667	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+3H"	3.021828
"434981"	694.312223	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+NH4"	18.033823
"792695"	1032.451423	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+NH4"	18.033823
"1689028"	356.173023	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+NH4"	18.033823
"340591"	347.6597495	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+H+NH4"	19.041099
"735201"	516.7293495	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+H+NH4"	19.041099
"1486834"	178.5901495	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H+NH4"	19.041099
"405515"	699.267618	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+Na"	22.989218
"767603"	1037.406818	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+Na"	22.989218
"1617887"	361.128418	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Na"	22.989218
"322455"	350.137447	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+H+Na"	23.996494
"718157"	519.207047	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+H+Na"	23.996494
"1471977"	181.067847	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H+Na"	23.996494
"1063039"	121.047656666667	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2H+Na"	25.00377
"1264719"	371.172686	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+CH3OH+H"	33.033486
"382201"	715.241558	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+K"	38.963158
"747571"	1053.380758	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+K"	38.963158
"1552903"	377.102358	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+K"	38.963158
"308987"	358.124417	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+H+K"	39.970434
"703595"	527.194017	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+H+K"	39.970434
"1460216"	189.054817	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H+K"	39.970434
"247108"	718.312226	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+ACN+H"	42.033826
"1219816"	380.173026	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+ACN+H"	42.033826
"1205885"	190.590151	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+ACN+2H"	43.041102
"202894"	721.24956	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+2Na-H"	44.97116
"644120"	1059.38876	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+2Na-H"	44.97116
"1145115"	383.11036	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2Na-H"	44.97116
"188166"	361.128418	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+2Na"	45.978436
"628335"	530.198018	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+2Na"	45.978436
"1130700"	192.058818	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2Na"	45.978436
"1410253"	128.374970666667	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H+2Na"	46.985712
"1432168"	385.151946	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H+HCOOH"	47.012746
"226966"	366.16144	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+3H2O+2H"	56.04448
"1515028"	399.20399	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+IsoProp+H"	61.06479
"420181"	369.115388	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+Na+K"	61.952376
"783003"	538.184988	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+Na+K"	61.952376
"1675324"	200.045788	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Na+K"	61.952376
"261844"	740.294168	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+ACN+Na"	64.015768
"1238927"	402.154968	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+ACN+Na"	64.015768
"1724532"	402.178493	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+NH4+HCOOH"	64.039293
"1192087"	135.702284666667	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+3Na"	68.967654
"1661976"	407.133888	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Na+HCOOH"	68.994688
"170300"	753.19744	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+2K-H"	76.91904
"609490"	1091.33664	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+2K-H"	76.91904
"1096924"	415.05824	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2K-H"	76.91904
"154100"	377.102358	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"2M+2K"	77.926316
"595728"	546.171958	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"3M+2K"	77.926316
"1082546"	208.032758	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2K"	77.926316
"1114298"	417.072792	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2K+H"	78.933592
"1345583"	417.160407	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+DMSO+H"	79.021207
"1011926"	421.199576	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2ACN+H"	83.060376
"1528959"	422.193208	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+IsoProp+Na+H"	84.054008
"992125"	211.103426	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+2ACN+2H"	84.067652
"1588082"	423.107828	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+K+HCOOH"	84.968628
"1416660"	453.139338	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+H+CF3COOH"	115.000138
"1149498"	231.616701	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+3ACN+2H"	125.094202
"1697346"	470.165885	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+NH4+CF3COOH"	132.026685
"1636528"	475.12128	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+Na+CF3COOH"	136.98208
"1574365"	491.09522	"C06163"	"(S)-cis-N-Methylstylopine"	"C20H20NO4"	"338.1392"	"M+K+CF3COOH"	152.95602
"814574"	392.1134	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M"	0
"981545"	373.09501	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-H2O-H"	-19.01839
"77568"	260.401657333333	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M-3H"	-3.021828
"517858"	391.106124	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M-3H"	-3.021828
"895408"	129.697190666667	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-3H"	-3.021828
"14727"	391.106124	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M-2H"	-2.014552
"454409"	587.162824	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M-2H"	-2.014552
"825280"	195.049424	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-2H"	-2.014552
"87459"	783.219524	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M-H"	-1.007276
"531030"	1175.332924	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M-H"	-1.007276
"903729"	391.106124	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-H"	-1.007276
"59198"	800.246071	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M-2H+NH4"	16.019271
"498757"	1192.359471	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M-2H+NH4"	16.019271
"873282"	408.132671	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-2H+NH4"	16.019271
"44098"	805.201466	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M-2H+Na"	20.974666
"475278"	1197.314866	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M-2H+Na"	20.974666
"863290"	413.088066	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-2H+Na"	20.974666
"1632461"	413.088066	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Na-2H"	20.974666
"107896"	409.094463	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M-H+Cl"	33.962126
"547821"	605.151163	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M-H+Cl"	33.962126
"939510"	213.037763	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-H+Cl"	33.962126
"280256"	819.196202	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+Cl"	34.969402
"671218"	1211.309602	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+Cl"	34.969402
"1282893"	427.082802	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Cl"	34.969402
"26905"	821.175406	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M-2H+K"	36.948606
"468653"	1213.288806	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M-2H+K"	36.948606
"846819"	429.062006	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-2H+K"	36.948606
"1566659"	429.062006	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+K-2H"	36.948606
"955270"	437.111594	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-H+HCOOH"	44.998194
"373487"	829.225001	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+HCOOH-H"	44.998201
"356642"	843.240651	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+Hac-H"	59.013851
"1500005"	451.127251	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Hac-H"	59.013851
"962810"	459.093551	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-H+NaCOOH"	66.980151
"123757"	427.082802	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+2Cl"	69.938804
"562222"	623.139502	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+2Cl"	69.938804
"1030291"	231.026102	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2Cl"	69.938804
"1253880"	471.032285	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Br"	78.918885
"1312319"	473.088272	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Cl+HCOOH"	80.974872
"1332002"	495.070229	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Cl+NaCOOH"	102.956829
"925248"	505.098986	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M-H+CF3COOH"	112.985586
"1301953"	541.075664	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Cl+CF3COOH"	148.962264
"1381700"	357.100724	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H-2H2O"	-35.012676
"1398366"	375.1107	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H-H2O"	-17.0027
"292924"	785.234076	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+H"	1.007276
"688992"	1177.347476	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+H"	1.007276
"1356226"	393.120676	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H"	1.007276
"141038"	393.120676	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+2H"	2.014552
"581343"	589.177376	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+2H"	2.014552
"1052684"	197.063976	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2H"	2.014552
"219814"	262.416209333333	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+3H"	3.021828
"658068"	393.120676	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+3H"	3.021828
"1175099"	131.711742666667	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+3H"	3.021828
"434000"	802.260623	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+NH4"	18.033823
"794994"	1194.374023	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+NH4"	18.033823
"1690233"	410.147223	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+NH4"	18.033823
"344347"	401.6339495	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+H+NH4"	19.041099
"735677"	597.6906495	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+H+NH4"	19.041099
"1492050"	205.5772495	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H+NH4"	19.041099
"408494"	807.216018	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+Na"	22.989218
"769898"	1199.329418	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+Na"	22.989218
"1617880"	415.102618	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Na"	22.989218
"329617"	404.111647	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+H+Na"	23.996494
"722527"	600.168347	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+H+Na"	23.996494
"1475246"	208.054947	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H+Na"	23.996494
"1064242"	139.039056666667	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2H+Na"	25.00377
"1267015"	425.146886	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+CH3OH+H"	33.033486
"387778"	823.189958	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+K"	38.963158
"749868"	1215.303358	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+K"	38.963158
"1554715"	431.076558	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+K"	38.963158
"310191"	412.098617	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+H+K"	39.970434
"704798"	608.155317	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+H+K"	39.970434
"1460323"	216.041917	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H+K"	39.970434
"248312"	826.260626	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+ACN+H"	42.033826
"1224788"	434.147226	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+ACN+H"	42.033826
"1203808"	217.577251	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+ACN+2H"	43.041102
"201792"	829.19796	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+2Na-H"	44.97116
"643545"	1221.31136	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+2Na-H"	44.97116
"1145959"	437.08456	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2Na-H"	44.97116
"188403"	415.102618	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+2Na"	45.978436
"628285"	611.159318	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+2Na"	45.978436
"1130975"	219.045918	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2Na"	45.978436
"1412553"	146.366370666667	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H+2Na"	46.985712
"1440662"	439.126146	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H+HCOOH"	47.012746
"234731"	420.13564	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+3H2O+2H"	56.04448
"1522793"	453.17819	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+IsoProp+H"	61.06479
"423939"	423.089588	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+Na+K"	61.952376
"781290"	619.146288	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+Na+K"	61.952376
"1677621"	227.032888	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Na+K"	61.952376
"265234"	848.242568	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+ACN+Na"	64.015768
"1238673"	456.129168	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+ACN+Na"	64.015768
"1726101"	456.152693	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+NH4+HCOOH"	64.039293
"1193411"	153.693684666667	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+3Na"	68.967654
"1664272"	461.108088	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Na+HCOOH"	68.994688
"171135"	861.14584	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+2K-H"	76.91904
"612155"	1253.25924	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+2K-H"	76.91904
"1097762"	469.03244	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2K-H"	76.91904
"155304"	431.076558	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"2M+2K"	77.926316
"593773"	627.133258	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"3M+2K"	77.926316
"1081567"	235.019858	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2K"	77.926316
"1114047"	471.046992	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2K+H"	78.933592
"1345694"	471.134607	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+DMSO+H"	79.021207
"1014224"	475.173776	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2ACN+H"	83.060376
"1525787"	476.167408	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+IsoProp+Na+H"	84.054008
"994421"	238.090526	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+2ACN+2H"	84.067652
"1592205"	477.082028	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+K+HCOOH"	84.968628
"1421144"	507.113538	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+H+CF3COOH"	115.000138
"1151431"	258.603801	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+3ACN+2H"	125.094202
"1697456"	524.140085	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+NH4+CF3COOH"	132.026685
"1635179"	529.09548	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+Na+CF3COOH"	136.98208
"1574475"	545.06942	"C06165"	"Macarpine"	"C22H18NO6"	"392.1134"	"M+K+CF3COOH"	152.95602
"814684"	328.1549	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M"	0
"981655"	309.13651	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-H2O-H"	-19.01839
"77069"	217.762657333333	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M-3H"	-3.021828
"517723"	327.147624	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M-3H"	-3.021828
"893827"	108.377690666667	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-3H"	-3.021828
"13495"	327.147624	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M-2H"	-2.014552
"453060"	491.225074	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M-2H"	-2.014552
"829764"	163.070174	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-2H"	-2.014552
"86476"	655.302524	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M-H"	-1.007276
"528223"	983.457424	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M-H"	-1.007276
"901654"	327.147624	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-H"	-1.007276
"51655"	672.329071	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M-2H+NH4"	16.019271
"493400"	1000.483971	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M-2H+NH4"	16.019271
"873392"	344.174171	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-2H+NH4"	16.019271
"40199"	677.284466	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M-2H+Na"	20.974666
"483409"	1005.439366	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M-2H+Na"	20.974666
"861212"	349.129566	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-2H+Na"	20.974666
"1631839"	349.129566	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Na-2H"	20.974666
"104724"	345.135963	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M-H+Cl"	33.962126
"543191"	509.213413	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M-H+Cl"	33.962126
"938893"	181.058513	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-H+Cl"	33.962126
"279635"	691.279202	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+Cl"	34.969402
"669505"	1019.434102	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+Cl"	34.969402
"1279355"	363.124302	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Cl"	34.969402
"23003"	693.258406	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M-2H+K"	36.948606
"463658"	1021.413306	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M-2H+K"	36.948606
"843282"	365.103506	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-2H+K"	36.948606
"1564582"	365.103506	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+K-2H"	36.948606
"949548"	373.153094	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-H+HCOOH"	44.998194
"367035"	701.308001	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+HCOOH-H"	44.998201
"353472"	715.323651	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+Hac-H"	59.013851
"1498293"	387.168751	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Hac-H"	59.013851
"964743"	395.135051	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-H+NaCOOH"	66.980151
"119858"	363.124302	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+2Cl"	69.938804
"561969"	527.201752	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+2Cl"	69.938804
"1032589"	199.046852	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2Cl"	69.938804
"1253262"	407.073785	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Br"	78.918885
"1312429"	409.129772	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Cl+HCOOH"	80.974872
"1329927"	431.111729	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Cl+NaCOOH"	102.956829
"922078"	441.140486	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M-H+CF3COOH"	112.985586
"1300604"	477.117164	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Cl+CF3COOH"	148.962264
"1382298"	293.142224	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H-2H2O"	-35.012676
"1398092"	311.1522	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H-H2O"	-17.0027
"292670"	657.317076	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+H"	1.007276
"683268"	985.471976	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+H"	1.007276
"1355243"	329.162176	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H"	1.007276
"139445"	329.162176	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+2H"	2.014552
"578641"	493.239626	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+2H"	2.014552
"1052764"	165.084726	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2H"	2.014552
"219600"	219.777209333333	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+3H"	3.021828
"651620"	329.162176	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+3H"	3.021828
"1170837"	110.392242666667	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+3H"	3.021828
"433017"	674.343623	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+NH4"	18.033823
"796200"	1002.498523	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+NH4"	18.033823
"1694718"	346.188723	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+NH4"	18.033823
"341905"	337.6754495	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+H+NH4"	19.041099
"735422"	501.7528995	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+H+NH4"	19.041099
"1487053"	173.5979995	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H+NH4"	19.041099
"405733"	679.299018	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+Na"	22.989218
"769651"	1007.453918	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+Na"	22.989218
"1614826"	351.144118	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Na"	22.989218
"328999"	340.153147	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+H+Na"	23.996494
"717283"	504.230597	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+H+Na"	23.996494
"1468917"	176.075697	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H+Na"	23.996494
"1064355"	117.719556666667	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2H+Na"	25.00377
"1268220"	361.188386	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+CH3OH+H"	33.033486
"387888"	695.272958	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+K"	38.963158
"746699"	1023.427858	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+K"	38.963158
"1549843"	367.118058	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+K"	38.963158
"311395"	348.140117	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+H+K"	39.970434
"703815"	512.217567	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+H+K"	39.970434
"1458729"	184.062667	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H+K"	39.970434
"249515"	698.343626	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+ACN+H"	42.033826
"1221131"	370.188726	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+ACN+H"	42.033826
"1203918"	185.598001	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+ACN+2H"	43.041102
"200444"	701.28096	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+2Na-H"	44.97116
"641454"	1029.43586	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+2Na-H"	44.97116
"1145828"	373.12606	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2Na-H"	44.97116
"186687"	351.144118	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+2Na"	45.978436
"628416"	515.221568	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+2Na"	45.978436
"1130602"	187.066668	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2Na"	45.978436
"1411937"	125.046870666667	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H+2Na"	46.985712
"1441501"	375.167646	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H+HCOOH"	47.012746
"233384"	356.17714	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+3H2O+2H"	56.04448
"1523392"	389.21969	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+IsoProp+H"	61.06479
"422225"	359.131088	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+Na+K"	61.952376
"781400"	523.208538	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+Na+K"	61.952376
"1677731"	195.053638	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Na+K"	61.952376
"263158"	720.325568	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+ACN+Na"	64.015768
"1238054"	392.170668	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+ACN+Na"	64.015768
"1723660"	392.194193	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+NH4+HCOOH"	64.039293
"1193276"	132.374184666667	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+3Na"	68.967654
"1664017"	397.149588	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Na+HCOOH"	68.994688
"170156"	733.22884	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+2K-H"	76.91904
"611172"	1061.38374	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+2K-H"	76.91904
"1097144"	405.07394	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2K-H"	76.91904
"153230"	367.118058	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"2M+2K"	77.926316
"593880"	531.195508	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"3M+2K"	77.926316
"1080948"	203.040608	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2K"	77.926316
"1113061"	407.088492	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2K+H"	78.933592
"1346898"	407.176107	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+DMSO+H"	79.021207
"1016520"	411.215276	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2ACN+H"	83.060376
"1528085"	412.208908	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+IsoProp+Na+H"	84.054008
"994535"	206.111276	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+2ACN+2H"	84.067652
"1591223"	413.123528	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+K+HCOOH"	84.968628
"1414938"	443.155038	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+H+CF3COOH"	115.000138
"1149358"	226.624551	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+3ACN+2H"	125.094202
"1697240"	460.181585	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+NH4+CF3COOH"	132.026685
"1640029"	465.13698	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+Na+CF3COOH"	136.98208
"1574585"	481.11092	"C06167"	"12-Dehydroreticuline;12-Dehydroreticulinium;34-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium"	"C19H22NO4"	"328.1549"	"M+K+CF3COOH"	152.95602
"816820"	297.1365	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M"	0
"987232"	278.11811	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-H2O-H"	-19.01839
"78077"	197.083724	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M-3H"	-3.021828
"517225"	296.129224	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M-3H"	-3.021828
"894545"	98.038224	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-3H"	-3.021828
"14461"	296.129224	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M-2H"	-2.014552
"454746"	444.697474	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M-2H"	-2.014552
"830971"	147.560974	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-2H"	-2.014552
"92297"	593.265724	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M-H"	-1.007276
"530889"	890.402224	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M-H"	-1.007276
"903951"	296.129224	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-H"	-1.007276
"56138"	610.292271	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M-2H+NH4"	16.019271
"498614"	907.428771	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M-2H+NH4"	16.019271
"874596"	313.155771	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-2H+NH4"	16.019271
"42132"	615.247666	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M-2H+Na"	20.974666
"483519"	912.384166	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M-2H+Na"	20.974666
"862415"	318.111166	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-2H+Na"	20.974666
"1633653"	318.111166	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Na-2H"	20.974666
"108725"	314.117563	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M-H+Cl"	33.962126
"547435"	462.685813	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M-H+Cl"	33.962126
"941922"	165.549313	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-H+Cl"	33.962126
"279016"	629.242402	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+Cl"	34.969402
"673260"	926.378902	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+Cl"	34.969402
"1284571"	332.105902	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Cl"	34.969402
"24936"	631.221606	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M-2H+K"	36.948606
"466684"	928.358106	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M-2H+K"	36.948606
"842662"	334.085106	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-2H+K"	36.948606
"1565785"	334.085106	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+K-2H"	36.948606
"949294"	342.134694	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-H+HCOOH"	44.998194
"368604"	639.271201	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+HCOOH-H"	44.998201
"353582"	653.286851	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+Hac-H"	59.013851
"1498767"	356.150351	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Hac-H"	59.013851
"964853"	364.116651	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-H+NaCOOH"	66.980151
"124219"	332.105902	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+2Cl"	69.938804
"563902"	480.674152	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+2Cl"	69.938804
"1033432"	183.537652	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2Cl"	69.938804
"1254469"	376.055385	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Br"	78.918885
"1314729"	378.111372	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Cl+HCOOH"	80.974872
"1333925"	400.093329	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Cl+NaCOOH"	102.956829
"925833"	410.122086	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M-H+CF3COOH"	112.985586
"1300714"	446.098764	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Cl+CF3COOH"	148.962264
"1381311"	262.123824	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H-2H2O"	-35.012676
"1396376"	280.1338	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H-H2O"	-17.0027
"289864"	595.280276	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+H"	1.007276
"683014"	892.416776	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+H"	1.007276
"1353165"	298.143776	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H"	1.007276
"137723"	298.143776	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+2H"	2.014552
"580825"	446.712026	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+2H"	2.014552
"1052615"	149.575526	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2H"	2.014552
"219589"	199.098276	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+3H"	3.021828
"655011"	298.143776	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+3H"	3.021828
"1172042"	100.052776	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+3H"	3.021828
"435315"	612.306823	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+NH4"	18.033823
"796311"	909.443323	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+NH4"	18.033823
"1695922"	315.170323	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+NH4"	18.033823
"339828"	306.6570495	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+H+NH4"	19.041099
"736261"	455.2252995	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+H+NH4"	19.041099
"1489350"	158.0887995	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H+NH4"	19.041099
"407667"	617.262218	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+Na"	22.989218
"768905"	914.398718	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+Na"	22.989218
"1614936"	320.125718	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Na"	22.989218
"328253"	309.134747	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+H+Na"	23.996494
"718488"	457.702997	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+H+Na"	23.996494
"1473401"	160.566497	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H+Na"	23.996494
"1064465"	107.38009	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2H+Na"	25.00377
"1266144"	330.169986	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+CH3OH+H"	33.033486
"386906"	633.236158	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+K"	38.963158
"746809"	930.372658	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+K"	38.963158
"1546673"	336.099658	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+K"	38.963158
"309318"	317.121717	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+H+K"	39.970434
"701738"	465.689967	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+H+K"	39.970434
"1456652"	168.553467	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H+K"	39.970434
"247440"	636.306826	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+ACN+H"	42.033826
"1222335"	339.170326	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+ACN+H"	42.033826
"1205122"	170.088801	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+ACN+2H"	43.041102
"201281"	639.24416	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+2Na-H"	44.97116
"641929"	936.38066	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+2Na-H"	44.97116
"1146546"	342.10766	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2Na-H"	44.97116
"187890"	320.125718	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+2Na"	45.978436
"627933"	468.693968	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+2Na"	45.978436
"1130221"	171.557468	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2Na"	45.978436
"1413506"	114.707404	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H+2Na"	46.985712
"1443798"	344.149246	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H+HCOOH"	47.012746
"234223"	325.15874	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+3H2O+2H"	56.04448
"1523825"	358.20129	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+IsoProp+H"	61.06479
"423878"	328.112688	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+Na+K"	61.952376
"781511"	476.680938	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+Na+K"	61.952376
"1675654"	179.544438	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Na+K"	61.952376
"261081"	658.288768	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+ACN+Na"	64.015768
"1238164"	361.152268	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+ACN+Na"	64.015768
"1724861"	361.175793	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+NH4+HCOOH"	64.039293
"1189864"	122.034718	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+3Na"	68.967654
"1662307"	366.131188	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Na+HCOOH"	68.994688
"169536"	671.19204	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+2K-H"	76.91904
"609099"	968.32854	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+2K-H"	76.91904
"1096527"	374.05554	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2K-H"	76.91904
"152250"	336.099658	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"2M+2K"	77.926316
"591810"	484.667908	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"3M+2K"	77.926316
"1079603"	187.531408	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2K"	77.926316
"1112082"	376.070092	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2K+H"	78.933592
"1349928"	376.157707	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+DMSO+H"	79.021207
"1008975"	380.196876	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2ACN+H"	83.060376
"1528193"	381.190508	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+IsoProp+Na+H"	84.054008
"992455"	190.602076	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+2ACN+2H"	84.067652
"1589145"	382.105128	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+K+HCOOH"	84.968628
"1415897"	412.136638	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+H+CF3COOH"	115.000138
"1150561"	211.115351	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+3ACN+2H"	125.094202
"1697925"	429.163185	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+NH4+CF3COOH"	132.026685
"1640139"	434.11858	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+Na+CF3COOH"	136.98208
"1573601"	450.09252	"C06171"	"Codeinone;(5alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-one"	"C18H19NO3"	"297.1365"	"M+K+CF3COOH"	152.95602
"814904"	297.1365	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M"	0
"980782"	278.11811	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-H2O-H"	-19.01839
"76679"	197.083724	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M-3H"	-3.021828
"518492"	296.129224	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M-3H"	-3.021828
"894774"	98.038224	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-3H"	-3.021828
"14812"	296.129224	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M-2H"	-2.014552
"455422"	444.697474	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M-2H"	-2.014552
"831810"	147.560974	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-2H"	-2.014552
"91436"	593.265724	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M-H"	-1.007276
"531728"	890.402224	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M-H"	-1.007276
"904061"	296.129224	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-H"	-1.007276
"58435"	610.292271	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M-2H+NH4"	16.019271
"499088"	907.428771	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M-2H+NH4"	16.019271
"873613"	313.155771	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-2H+NH4"	16.019271
"44429"	615.247666	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M-2H+Na"	20.974666
"484357"	912.384166	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M-2H+Na"	20.974666
"863255"	318.111166	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-2H+Na"	20.974666
"1633970"	318.111166	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Na-2H"	20.974666
"109811"	314.117563	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M-H+Cl"	33.962126
"548517"	462.685813	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M-H+Cl"	33.962126
"941666"	165.549313	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-H+Cl"	33.962126
"278761"	629.242402	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+Cl"	34.969402
"671182"	926.378902	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+Cl"	34.969402
"1286867"	332.105902	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Cl"	34.969402
"25047"	631.221606	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M-2H+K"	36.948606
"464971"	928.358106	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M-2H+K"	36.948606
"841679"	334.085106	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-2H+K"	36.948606
"1564073"	334.085106	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+K-2H"	36.948606
"946852"	342.134694	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-H+HCOOH"	44.998194
"368714"	639.271201	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+HCOOH-H"	44.998201
"353692"	653.286851	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+Hac-H"	59.013851
"1494867"	356.150351	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Hac-H"	59.013851
"964234"	364.116651	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-H+NaCOOH"	66.980151
"125181"	332.105902	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+2Cl"	69.938804
"564983"	480.674152	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+2Cl"	69.938804
"1034512"	183.537652	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2Cl"	69.938804
"1256610"	376.055385	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Br"	78.918885
"1319338"	378.111372	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Cl+HCOOH"	80.974872
"1334522"	400.093329	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Cl+NaCOOH"	102.956829
"925214"	410.122086	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M-H+CF3COOH"	112.985586
"1297908"	446.098764	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Cl+CF3COOH"	148.962264
"1381422"	262.123824	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H-2H2O"	-35.012676
"1395758"	280.1338	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H-H2O"	-17.0027
"292526"	595.280276	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+H"	1.007276
"686040"	892.416776	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+H"	1.007276
"1356555"	298.143776	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H"	1.007276
"137833"	298.143776	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+2H"	2.014552
"581135"	446.712026	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+2H"	2.014552
"1052642"	149.575526	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2H"	2.014552
"218845"	199.098276	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+3H"	3.021828
"654027"	298.143776	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+3H"	3.021828
"1172151"	100.052776	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+3H"	3.021828
"433238"	612.306823	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+NH4"	18.033823
"795326"	909.443323	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+NH4"	18.033823
"1688378"	315.170323	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+NH4"	18.033823
"341398"	306.6570495	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+H+NH4"	19.041099
"734546"	455.2252995	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+H+NH4"	19.041099
"1487273"	158.0887995	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H+NH4"	19.041099
"404859"	617.262218	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+Na"	22.989218
"768651"	914.398718	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+Na"	22.989218
"1617233"	320.125718	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Na"	22.989218
"323989"	309.134747	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+H+Na"	23.996494
"721879"	457.702997	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+H+Na"	23.996494
"1473513"	160.566497	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H+Na"	23.996494
"1064569"	107.38009	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2H+Na"	25.00377
"1270625"	330.169986	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+CH3OH+H"	33.033486
"390663"	633.236158	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+K"	38.963158
"750199"	930.372658	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+K"	38.963158
"1553344"	336.099658	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+K"	38.963158
"311617"	317.121717	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+H+K"	39.970434
"704037"	465.689967	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+H+K"	39.970434
"1458949"	168.553467	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H+K"	39.970434
"249372"	636.306826	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+ACN+H"	42.033826
"1223174"	339.170326	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+ACN+H"	42.033826
"1201952"	170.088801	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+ACN+2H"	43.041102
"200299"	639.24416	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+2Na-H"	44.97116
"642039"	936.38066	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+2Na-H"	44.97116
"1146987"	342.10766	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2Na-H"	44.97116
"188324"	320.125718	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+2Na"	45.978436
"627312"	468.693968	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+2Na"	45.978436
"1130087"	171.557468	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2Na"	45.978436
"1414065"	114.707404	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H+2Na"	46.985712
"1445045"	344.149246	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H+HCOOH"	47.012746
"235512"	325.15874	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+3H2O+2H"	56.04448
"1524024"	358.20129	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+IsoProp+H"	61.06479
"424109"	328.112688	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+Na+K"	61.952376
"781621"	476.680938	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+Na+K"	61.952376
"1676857"	179.544438	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Na+K"	61.952376
"262284"	658.288768	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+ACN+Na"	64.015768
"1234993"	361.152268	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+ACN+Na"	64.015768
"1722784"	361.175793	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+NH4+HCOOH"	64.039293
"1189245"	122.034718	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+3Na"	68.967654
"1661323"	366.131188	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Na+HCOOH"	68.994688
"169648"	671.19204	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+2K-H"	76.91904
"610303"	968.32854	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+2K-H"	76.91904
"1096999"	374.05554	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2K-H"	76.91904
"151996"	336.099658	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"2M+2K"	77.926316
"592284"	484.667908	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"3M+2K"	77.926316
"1079713"	187.531408	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2K"	77.926316
"1112921"	376.070092	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2K+H"	78.933592
"1346756"	376.157707	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+DMSO+H"	79.021207
"1014555"	380.196876	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2ACN+H"	83.060376
"1526120"	381.190508	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+IsoProp+Na+H"	84.054008
"995848"	190.602076	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+2ACN+2H"	84.067652
"1591443"	382.105128	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+K+HCOOH"	84.968628
"1417101"	412.136638	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+H+CF3COOH"	115.000138
"1148485"	211.115351	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+3ACN+2H"	125.094202
"1698399"	429.163185	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+NH4+CF3COOH"	132.026685
"1640249"	434.11858	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+Na+CF3COOH"	136.98208
"1572618"	450.09252	"C06172"	"Neopinone"	"C18H19NO3"	"297.1365"	"M+K+CF3COOH"	152.95602
"817064"	311.1521	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M"	0
"989866"	292.13371	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-H2O-H"	-19.01839
"77519"	206.427457333333	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M-3H"	-3.021828
"517694"	310.144824	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M-3H"	-3.021828
"894883"	102.710090666667	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-3H"	-3.021828
"15677"	310.144824	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M-2H"	-2.014552
"454719"	465.720874	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M-2H"	-2.014552
"832283"	154.568774	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-2H"	-2.014552
"91909"	621.296924	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M-H"	-1.007276
"532931"	932.449024	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M-H"	-1.007276
"906356"	310.144824	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-H"	-1.007276
"59638"	638.323471	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M-2H+NH4"	16.019271
"497011"	949.475571	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M-2H+NH4"	16.019271
"875909"	327.171371	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-2H+NH4"	16.019271
"45996"	643.278866	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M-2H+Na"	20.974666
"485560"	954.430966	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M-2H+Na"	20.974666
"864214"	332.126766	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-2H+Na"	20.974666
"1634077"	332.126766	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Na-2H"	20.974666
"109474"	328.133163	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M-H+Cl"	33.962126
"549645"	483.709213	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M-H+Cl"	33.962126
"942434"	172.557113	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-H+Cl"	33.962126
"281910"	657.273602	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+Cl"	34.969402
"675182"	968.425702	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+Cl"	34.969402
"1286857"	346.121502	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Cl"	34.969402
"29532"	659.252806	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M-2H+K"	36.948606
"466904"	970.404906	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M-2H+K"	36.948606
"843612"	348.100706	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-2H+K"	36.948606
"1563819"	348.100706	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+K-2H"	36.948606
"946597"	356.150294	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-H+HCOOH"	44.998194
"367731"	667.302401	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+HCOOH-H"	44.998201
"350519"	681.318051	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+Hac-H"	59.013851
"1494248"	370.165951	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Hac-H"	59.013851
"962519"	378.132251	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-H+NaCOOH"	66.980151
"125493"	346.121502	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+2Cl"	69.938804
"565094"	501.697552	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+2Cl"	69.938804
"1035351"	190.545452	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2Cl"	69.938804
"1253224"	390.070985	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Br"	78.918885
"1316044"	392.126972	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Cl+HCOOH"	80.974872
"1333540"	414.108929	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Cl+NaCOOH"	102.956829
"926054"	424.137686	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M-H+CF3COOH"	112.985586
"1295832"	460.114364	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Cl+CF3COOH"	148.962264
"1381776"	276.139424	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H-2H2O"	-35.012676
"1394410"	294.1494	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H-H2O"	-17.0027
"292636"	623.311476	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+H"	1.007276
"682506"	934.463576	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+H"	1.007276
"1356665"	312.159376	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H"	1.007276
"135027"	312.159376	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+2H"	2.014552
"581261"	467.735426	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+2H"	2.014552
"1051418"	156.583326	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2H"	2.014552
"218955"	208.442009333333	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+3H"	3.021828
"656324"	312.159376	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+3H"	3.021828
"1174446"	104.724642666667	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+3H"	3.021828
"431161"	640.338023	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+NH4"	18.033823
"793248"	951.490123	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+NH4"	18.033823
"1687394"	329.185923	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+NH4"	18.033823
"344427"	320.6726495	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+H+NH4"	19.041099
"737212"	476.2486995	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+H+NH4"	19.041099
"1491030"	165.0965995	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H+NH4"	19.041099
"405700"	645.293418	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+Na"	22.989218
"768761"	956.445518	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+Na"	22.989218
"1618391"	334.141318	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Na"	22.989218
"328354"	323.150347	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+H+Na"	23.996494
"722481"	478.726397	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+H+Na"	23.996494
"1474716"	167.574297	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H+Na"	23.996494
"1064678"	112.051956666667	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2H+Na"	25.00377
"1269642"	344.185586	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+CH3OH+H"	33.033486
"384941"	661.267358	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+K"	38.963158
"752134"	972.419458	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+K"	38.963158
"1553822"	350.115258	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+K"	38.963158
"312091"	331.137317	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+H+K"	39.970434
"704513"	486.713367	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+H+K"	39.970434
"1458697"	175.561267	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H+K"	39.970434
"249727"	664.338026	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+ACN+H"	42.033826
"1221461"	353.185926	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+ACN+H"	42.033826
"1203156"	177.096601	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+ACN+2H"	43.041102
"201866"	667.27536	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+2Na-H"	44.97116
"641421"	978.42746	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+2Na-H"	44.97116
"1146764"	356.12326	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2Na-H"	44.97116
"187134"	334.141318	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+2Na"	45.978436
"627181"	489.717368	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+2Na"	45.978436
"1131323"	178.565268	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2Na"	45.978436
"1410804"	119.379270666667	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H+2Na"	46.985712
"1443287"	358.164846	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H+HCOOH"	47.012746
"235375"	339.17434	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+3H2O+2H"	56.04448
"1522503"	372.21689	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+IsoProp+H"	61.06479
"422554"	342.128288	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+Na+K"	61.952376
"780635"	497.704338	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+Na+K"	61.952376
"1679155"	186.552238	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Na+K"	61.952376
"263487"	686.319968	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+ACN+Na"	64.015768
"1238384"	375.167868	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+ACN+Na"	64.015768
"1723989"	375.191393	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+NH4+HCOOH"	64.039293
"1190449"	126.706584666667	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+3Na"	68.967654
"1663622"	380.146788	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Na+HCOOH"	68.994688
"171579"	699.22324	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+2K-H"	76.91904
"610412"	1010.37534	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+2K-H"	76.91904
"1097838"	388.07114	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2K-H"	76.91904
"152470"	350.115258	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"2M+2K"	77.926316
"594217"	505.691308	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"3M+2K"	77.926316
"1082010"	194.539208	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2K"	77.926316
"1114124"	390.085692	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2K+H"	78.933592
"1350145"	390.173307	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+DMSO+H"	79.021207
"1014662"	394.212476	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2ACN+H"	83.060376
"1529507"	395.206108	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+IsoProp+Na+H"	84.054008
"994863"	197.609876	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+2ACN+2H"	84.067652
"1591549"	396.120728	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+K+HCOOH"	84.968628
"1417210"	426.152238	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+H+CF3COOH"	115.000138
"1151874"	218.123151	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+3ACN+2H"	125.094202
"1702516"	443.178785	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+NH4+CF3COOH"	132.026685
"1640359"	448.13418	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+Na+CF3COOH"	136.98208
"1574915"	464.10812	"C06173"	"Thebaine"	"C19H21NO3"	"311.1521"	"M+K+CF3COOH"	152.95602
"813667"	299.1521	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M"	0
"981002"	280.13371	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-H2O-H"	-19.01839
"73618"	198.427457333333	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M-3H"	-3.021828
"516459"	298.144824	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M-3H"	-3.021828
"888792"	98.7100906666667	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-3H"	-3.021828
"9554"	298.144824	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M-2H"	-2.014552
"445835"	447.720874	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M-2H"	-2.014552
"829108"	148.568774	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-2H"	-2.014552
"86914"	597.296924	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M-H"	-1.007276
"530485"	896.449024	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M-H"	-1.007276
"904279"	298.144824	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-H"	-1.007276
"57560"	614.323471	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M-2H+NH4"	16.019271
"497850"	913.475571	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M-2H+NH4"	16.019271
"874926"	315.171371	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-2H+NH4"	16.019271
"46107"	619.278866	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M-2H+Na"	20.974666
"484821"	918.430966	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M-2H+Na"	20.974666
"864171"	320.126766	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-2H+Na"	20.974666
"1633914"	320.126766	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Na-2H"	20.974666
"109424"	316.133163	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M-H+Cl"	33.962126
"549678"	465.709213	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M-H+Cl"	33.962126
"942588"	166.557113	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-H+Cl"	33.962126
"282391"	633.273602	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+Cl"	34.969402
"675418"	932.425702	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+Cl"	34.969402
"1287818"	334.121502	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Cl"	34.969402
"30695"	635.252806	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M-2H+K"	36.948606
"464828"	934.404906	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M-2H+K"	36.948606
"841536"	336.100706	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-2H+K"	36.948606
"1563929"	336.100706	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+K-2H"	36.948606
"946343"	344.150294	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-H+HCOOH"	44.998194
"367841"	643.302401	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+HCOOH-H"	44.998201
"348077"	657.318051	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+Hac-H"	59.013851
"1492941"	358.165951	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Hac-H"	59.013851
"961901"	366.132251	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-H+NaCOOH"	66.980151
"124429"	334.121502	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+2Cl"	69.938804
"565083"	483.697552	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+2Cl"	69.938804
"1035948"	184.545452	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2Cl"	69.938804
"1253698"	378.070985	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Br"	78.918885
"1317976"	380.126972	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Cl+HCOOH"	80.974872
"1333647"	402.108929	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Cl+NaCOOH"	102.956829
"925797"	412.137686	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M-H+CF3COOH"	112.985586
"1297035"	448.114364	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Cl+CF3COOH"	148.962264
"1381522"	264.139424	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H-2H2O"	-35.012676
"1395613"	282.1494	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H-H2O"	-17.0027
"293110"	599.311476	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+H"	1.007276
"680428"	898.463576	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+H"	1.007276
"1354588"	300.159376	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H"	1.007276
"135137"	300.159376	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+2H"	2.014552
"580418"	449.735426	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+2H"	2.014552
"1051652"	150.583326	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2H"	2.014552
"219592"	200.442009333333	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+3H"	3.021828
"658993"	300.159376	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+3H"	3.021828
"1173463"	100.724642666667	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+3H"	3.021828
"431271"	616.338023	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+NH4"	18.033823
"791537"	915.490123	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+NH4"	18.033823
"1689691"	317.185923	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+NH4"	18.033823
"341256"	308.6726495	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+H+NH4"	19.041099
"735499"	458.2486995	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+H+NH4"	19.041099
"1489318"	159.0965995	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H+NH4"	19.041099
"406174"	621.293418	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+Na"	22.989218
"767900"	920.445518	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+Na"	22.989218
"1617091"	322.141318	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Na"	22.989218
"328708"	311.150347	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+H+Na"	23.996494
"721860"	460.726397	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+H+Na"	23.996494
"1472640"	161.574297	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H+Na"	23.996494
"1060416"	108.051956666667	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2H+Na"	25.00377
"1268658"	332.185586	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+CH3OH+H"	33.033486
"388331"	637.267358	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+K"	38.963158
"747140"	936.419458	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+K"	38.963158
"1552474"	338.115258	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+K"	38.963158
"312565"	319.137317	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+H+K"	39.970434
"704258"	468.713367	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+H+K"	39.970434
"1454798"	169.561267	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H+K"	39.970434
"244492"	640.338026	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+ACN+H"	42.033826
"1219385"	341.185926	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+ACN+H"	42.033826
"1202173"	171.096601	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+ACN+2H"	43.041102
"200882"	643.27536	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+2Na-H"	44.97116
"638980"	942.42746	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+2Na-H"	44.97116
"1145043"	344.12326	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2Na-H"	44.97116
"185417"	322.141318	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+2Na"	45.978436
"626070"	471.717368	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+2Na"	45.978436
"1130066"	172.565268	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2Na"	45.978436
"1409820"	115.379270666667	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H+2Na"	46.985712
"1444003"	346.164846	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H+HCOOH"	47.012746
"235526"	327.17434	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+3H2O+2H"	56.04448
"1523099"	360.21689	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+IsoProp+H"	61.06479
"422664"	330.128288	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+Na+K"	61.952376
"779652"	479.704338	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+Na+K"	61.952376
"1678172"	180.552238	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Na+K"	61.952376
"261410"	662.319968	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+ACN+Na"	64.015768
"1238494"	363.167868	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+ACN+Na"	64.015768
"1724099"	363.191393	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+NH4+HCOOH"	64.039293
"1192381"	122.706584666667	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+3Na"	68.967654
"1664461"	368.146788	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Na+HCOOH"	68.994688
"171688"	675.22324	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+2K-H"	76.91904
"610520"	974.37534	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+2K-H"	76.91904
"1097218"	376.07114	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2K-H"	76.91904
"153672"	338.115258	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"2M+2K"	77.926316
"593600"	487.691308	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"3M+2K"	77.926316
"1083091"	188.539208	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2K"	77.926316
"1115205"	378.085692	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2K+H"	78.933592
"1350745"	378.173307	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+DMSO+H"	79.021207
"1015865"	382.212476	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2ACN+H"	83.060376
"1529617"	383.206108	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+IsoProp+Na+H"	84.054008
"997159"	191.609876	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+2ACN+2H"	84.067652
"1590566"	384.120728	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+K+HCOOH"	84.968628
"1416227"	414.152238	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+H+CF3COOH"	115.000138
"1149797"	212.123151	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+3ACN+2H"	125.094202
"1700440"	431.178785	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+NH4+CF3COOH"	132.026685
"1640469"	436.13418	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+Na+CF3COOH"	136.98208
"1577212"	452.10812	"C06174"	"Codeine;(5alpha6alpha)-78-Didehydro-45-epoxy-3-methoxy-17-methylmorphinan-6-ol"	"C18H21NO3"	"299.1521"	"M+K+CF3COOH"	152.95602
"814141"	297.1365	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M"	0
"988403"	278.11811	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-H2O-H"	-19.01839
"71542"	197.083724	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M-3H"	-3.021828
"516569"	296.129224	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M-3H"	-3.021828
"886715"	98.038224	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-3H"	-3.021828
"8570"	296.129224	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M-2H"	-2.014552
"450321"	444.697474	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M-2H"	-2.014552
"831291"	147.560974	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-2H"	-2.014552
"91763"	593.265724	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M-H"	-1.007276
"532421"	890.402224	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M-H"	-1.007276
"905847"	296.129224	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-H"	-1.007276
"59492"	610.292271	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M-2H+NH4"	16.019271
"500512"	907.428771	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M-2H+NH4"	16.019271
"877224"	313.155771	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-2H+NH4"	16.019271
"45249"	615.247666	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M-2H+Na"	20.974666
"484933"	912.384166	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M-2H+Na"	20.974666
"862249"	318.111166	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-2H+Na"	20.974666
"1633733"	318.111166	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Na-2H"	20.974666
"109453"	314.117563	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M-H+Cl"	33.962126
"549093"	462.685813	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M-H+Cl"	33.962126
"941390"	165.549313	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-H+Cl"	33.962126
"282378"	629.242402	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+Cl"	34.969402
"675242"	926.378902	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+Cl"	34.969402
"1288255"	332.105902	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Cl"	34.969402
"27565"	631.221606	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M-2H+K"	36.948606
"467125"	928.358106	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M-2H+K"	36.948606
"839459"	334.085106	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-2H+K"	36.948606
"1564040"	334.085106	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+K-2H"	36.948606
"946453"	342.134694	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-H+HCOOH"	44.998194
"366128"	639.271201	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+HCOOH-H"	44.998201
"348551"	653.286851	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+Hac-H"	59.013851
"1493375"	356.150351	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Hac-H"	59.013851
"962375"	364.116651	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-H+NaCOOH"	66.980151
"122227"	332.105902	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+2Cl"	69.938804
"562153"	480.674152	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+2Cl"	69.938804
"1032776"	183.537652	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2Cl"	69.938804
"1252714"	376.055385	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Br"	78.918885
"1315896"	378.111372	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Cl+HCOOH"	80.974872
"1332299"	400.093329	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Cl+NaCOOH"	102.956829
"925178"	410.122086	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M-H+CF3COOH"	112.985586
"1298238"	446.098764	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Cl+CF3COOH"	148.962264
"1380780"	262.123824	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H-2H2O"	-35.012676
"1394993"	280.1338	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H-H2O"	-17.0027
"290304"	595.280276	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+H"	1.007276
"677258"	892.416776	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+H"	1.007276
"1353235"	298.143776	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H"	1.007276
"138527"	298.143776	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+2H"	2.014552
"581140"	446.712026	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+2H"	2.014552
"1051643"	149.575526	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2H"	2.014552
"218937"	199.098276	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+3H"	3.021828
"658863"	298.143776	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+3H"	3.021828
"1172481"	100.052776	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+3H"	3.021828
"433568"	612.306823	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+NH4"	18.033823
"795657"	909.443323	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+NH4"	18.033823
"1688708"	315.170323	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+NH4"	18.033823
"342095"	306.6570495	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+H+NH4"	19.041099
"737435"	455.2252995	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+H+NH4"	19.041099
"1491130"	158.0887995	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H+NH4"	19.041099
"405556"	617.262218	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+Na"	22.989218
"768742"	914.398718	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+Na"	22.989218
"1616474"	320.125718	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Na"	22.989218
"329186"	309.134747	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+H+Na"	23.996494
"721609"	457.702997	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+H+Na"	23.996494
"1475426"	160.566497	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H+Na"	23.996494
"1062713"	107.38009	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2H+Na"	25.00377
"1267675"	330.169986	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+CH3OH+H"	33.033486
"385155"	633.236158	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+K"	38.963158
"751624"	930.372658	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+K"	38.963158
"1554652"	336.099658	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+K"	38.963158
"313653"	317.121717	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+H+K"	39.970434
"705099"	465.689967	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+H+K"	39.970434
"1456001"	168.553467	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H+K"	39.970434
"244602"	636.306826	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+ACN+H"	42.033826
"1219495"	339.170326	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+ACN+H"	42.033826
"1200096"	170.088801	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+ACN+2H"	43.041102
"200992"	639.24416	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+2Na-H"	44.97116
"637997"	936.38066	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+2Na-H"	44.97116
"1144429"	342.10766	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2Na-H"	44.97116
"185162"	320.125718	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+2Na"	45.978436
"625816"	468.693968	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+2Na"	45.978436
"1129449"	171.557468	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2Na"	45.978436
"1409199"	114.707404	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H+2Na"	46.985712
"1436943"	344.149246	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H+HCOOH"	47.012746
"231013"	325.15874	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+3H2O+2H"	56.04448
"1522356"	358.20129	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+IsoProp+H"	61.06479
"419855"	328.112688	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+Na+K"	61.952376
"785232"	476.680938	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+Na+K"	61.952376
"1679499"	179.544438	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Na+K"	61.952376
"262977"	658.288768	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+ACN+Na"	64.015768
"1238605"	361.152268	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+ACN+Na"	64.015768
"1726396"	361.175793	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+NH4+HCOOH"	64.039293
"1193223"	122.034718	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+3Na"	68.967654
"1664209"	366.131188	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Na+HCOOH"	68.994688
"171071"	671.19204	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+2K-H"	76.91904
"610268"	968.32854	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+2K-H"	76.91904
"1097211"	374.05554	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2K-H"	76.91904
"153783"	336.099658	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"2M+2K"	77.926316
"595168"	484.667908	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"3M+2K"	77.926316
"1081136"	187.531408	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2K"	77.926316
"1114831"	376.070092	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2K+H"	78.933592
"1350611"	376.157707	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+DMSO+H"	79.021207
"1013792"	380.196876	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2ACN+H"	83.060376
"1527541"	381.190508	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+IsoProp+Na+H"	84.054008
"993988"	190.602076	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+2ACN+2H"	84.067652
"1592865"	382.105128	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+K+HCOOH"	84.968628
"1416337"	412.136638	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+H+CF3COOH"	115.000138
"1152093"	211.115351	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+3ACN+2H"	125.094202
"1703833"	429.163185	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+NH4+CF3COOH"	132.026685
"1639486"	434.11858	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+Na+CF3COOH"	136.98208
"1576230"	450.09252	"C06175"	"Oripavine"	"C18H19NO3"	"297.1365"	"M+K+CF3COOH"	152.95602
"816075"	335.1733	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M"	0
"987055"	316.15491	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-H2O-H"	-19.01839
"73839"	222.441590666667	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M-3H"	-3.021828
"514492"	334.166024	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M-3H"	-3.021828
"889012"	110.717157333333	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-3H"	-3.021828
"10867"	334.166024	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M-2H"	-2.014552
"448244"	501.752674	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M-2H"	-2.014552
"832332"	166.579374	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-2H"	-2.014552
"87132"	669.339324	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M-H"	-1.007276
"532528"	1004.512624	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M-H"	-1.007276
"905592"	334.166024	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-H"	-1.007276
"58873"	686.365871	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M-2H+NH4"	16.019271
"500257"	1021.539171	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M-2H+NH4"	16.019271
"879283"	351.192571	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-2H+NH4"	16.019271
"45233"	691.321266	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M-2H+Na"	20.974666
"482610"	1026.494566	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M-2H+Na"	20.974666
"862235"	356.147966	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-2H+Na"	20.974666
"1633109"	356.147966	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Na-2H"	20.974666
"109395"	352.154363	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M-H+Cl"	33.962126
"548475"	519.741013	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M-H+Cl"	33.962126
"942112"	184.567713	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-H+Cl"	33.962126
"281881"	705.316002	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+Cl"	34.969402
"674908"	1040.489302	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+Cl"	34.969402
"1287924"	370.142702	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Cl"	34.969402
"27675"	707.295206	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M-2H+K"	36.948606
"466141"	1042.468506	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M-2H+K"	36.948606
"840662"	372.121906	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-2H+K"	36.948606
"1564151"	372.121906	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+K-2H"	36.948606
"949843"	380.171494	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-H+HCOOH"	44.998194
"365874"	715.344801	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+HCOOH-H"	44.998201
"347929"	729.360451	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+Hac-H"	59.013851
"1493606"	394.187151	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Hac-H"	59.013851
"960654"	402.153451	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-H+NaCOOH"	66.980151
"121972"	370.142702	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+2Cl"	69.938804
"563721"	537.729352	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+2Cl"	69.938804
"1033615"	202.556052	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2Cl"	69.938804
"1251731"	414.092185	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Br"	78.918885
"1317461"	416.148172	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Cl+HCOOH"	80.974872
"1333866"	438.130129	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Cl+NaCOOH"	102.956829
"926705"	448.158886	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M-H+CF3COOH"	112.985586
"1297255"	484.135564	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Cl+CF3COOH"	148.962264
"1379793"	300.160624	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H-2H2O"	-35.012676
"1391822"	318.1706	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H-H2O"	-17.0027
"290414"	671.353876	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+H"	1.007276
"678096"	1006.527176	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+H"	1.007276
"1351888"	336.180576	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H"	1.007276
"135357"	336.180576	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+2H"	2.014552
"581361"	503.767226	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+2H"	2.014552
"1052364"	168.593926	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2H"	2.014552
"219413"	224.456142666667	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+3H"	3.021828
"659799"	336.180576	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+3H"	3.021828
"1173684"	112.731709333333	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+3H"	3.021828
"432583"	688.380423	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+NH4"	18.033823
"793579"	1023.553723	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+NH4"	18.033823
"1691002"	353.207123	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+NH4"	18.033823
"342569"	344.6938495	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+H+NH4"	19.041099
"737787"	512.2804995	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+H+NH4"	19.041099
"1492606"	177.1071995	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H+NH4"	19.041099
"408330"	693.335818	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+Na"	22.989218
"768482"	1028.509118	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+Na"	22.989218
"1616947"	358.162518	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Na"	22.989218
"325524"	347.171547	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+H+Na"	23.996494
"722445"	514.758197	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+H+Na"	23.996494
"1472860"	179.584897	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H+Na"	23.996494
"1063916"	120.059023333333	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2H+Na"	25.00377
"1266691"	368.206786	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+CH3OH+H"	33.033486
"385265"	709.309758	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+K"	38.963158
"751734"	1044.483058	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+K"	38.963158
"1554396"	374.136458	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+K"	38.963158
"313150"	355.158517	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+H+K"	39.970434
"703385"	522.745167	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+H+K"	39.970434
"1458298"	187.571867	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H+K"	39.970434
"243619"	712.380426	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+ACN+H"	42.033826
"1216326"	377.207126	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+ACN+H"	42.033826
"1200206"	189.107201	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+ACN+2H"	43.041102
"197454"	715.31776	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+2Na-H"	44.97116
"639200"	1050.49106	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+2Na-H"	44.97116
"1144417"	380.14446	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2Na-H"	44.97116
"185636"	358.162518	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+2Na"	45.978436
"626291"	525.749168	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+2Na"	45.978436
"1129678"	190.575868	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2Na"	45.978436
"1403842"	127.386337333333	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H+2Na"	46.985712
"1433773"	382.186046	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H+HCOOH"	47.012746
"227843"	363.19554	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+3H2O+2H"	56.04448
"1514812"	396.23809	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+IsoProp+H"	61.06479
"417777"	366.149488	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+Na+K"	61.952376
"784858"	533.736138	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+Na+K"	61.952376
"1679611"	198.562838	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Na+K"	61.952376
"264910"	734.362368	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+ACN+Na"	64.015768
"1238715"	399.189068	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+ACN+Na"	64.015768
"1727236"	399.212593	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+NH4+HCOOH"	64.039293
"1191998"	134.713651333333	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+3Na"	68.967654
"1663713"	404.167988	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Na+HCOOH"	68.994688
"170817"	747.26564	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+2K-H"	76.91904
"611352"	1082.43894	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+2K-H"	76.91904
"1098532"	412.09234	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2K-H"	76.91904
"154986"	374.136458	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"2M+2K"	77.926316
"595636"	541.723108	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"3M+2K"	77.926316
"1082949"	206.549808	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2K"	77.926316
"1114699"	414.106892	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2K+H"	78.933592
"1349263"	414.194507	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+DMSO+H"	79.021207
"1012807"	418.233676	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2ACN+H"	83.060376
"1527653"	419.227308	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+IsoProp+Na+H"	84.054008
"993371"	209.620476	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+2ACN+2H"	84.067652
"1590788"	420.141928	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+K+HCOOH"	84.968628
"1416447"	450.173438	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+H+CF3COOH"	115.000138
"1151110"	230.133751	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+3ACN+2H"	125.094202
"1701756"	467.199985	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+NH4+CF3COOH"	132.026685
"1639596"	472.15538	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+Na+CF3COOH"	136.98208
"1576340"	488.12932	"C06176"	"Senecionine"	"C18H25NO5"	"335.1733"	"M+K+CF3COOH"	152.95602
"816549"	155.0946	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M"	0
"988623"	136.07621	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-H2O-H"	-19.01839
"75043"	102.389124	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M-3H"	-3.021828
"517883"	154.087324	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M-3H"	-3.021828
"892403"	50.690924	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-3H"	-3.021828
"9885"	154.087324	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M-2H"	-2.014552
"449447"	231.634624	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M-2H"	-2.014552
"821781"	76.540024	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-2H"	-2.014552
"91255"	309.181924	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M-H"	-1.007276
"531544"	464.276524	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M-H"	-1.007276
"901328"	154.087324	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-H"	-1.007276
"58983"	326.208471	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M-2H+NH4"	16.019271
"498182"	481.303071	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M-2H+NH4"	16.019271
"879271"	171.113871	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-2H+NH4"	16.019271
"45343"	331.163866	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M-2H+Na"	20.974666
"484907"	486.258466	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M-2H+Na"	20.974666
"862709"	176.069266	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-2H+Na"	20.974666
"1633913"	176.069266	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Na-2H"	20.974666
"109141"	172.075663	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M-H+Cl"	33.962126
"549719"	249.622963	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M-H+Cl"	33.962126
"942464"	94.528363	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-H+Cl"	33.962126
"282679"	345.158602	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+Cl"	34.969402
"675023"	500.253202	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+Cl"	34.969402
"1287991"	190.064002	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Cl"	34.969402
"31152"	347.137806	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M-2H+K"	36.948606
"467346"	502.232406	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M-2H+K"	36.948606
"840773"	192.043206	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-2H+K"	36.948606
"1564260"	192.043206	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+K-2H"	36.948606
"949953"	200.092794	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-H+HCOOH"	44.998194
"369264"	355.187401	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+HCOOH-H"	44.998201
"348771"	369.203051	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+Hac-H"	59.013851
"1496145"	214.108451	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Hac-H"	59.013851
"961497"	222.074751	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-H+NaCOOH"	66.980151
"119525"	190.064002	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+2Cl"	69.938804
"561278"	267.611302	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+2Cl"	69.938804
"1034454"	112.516702	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2Cl"	69.938804
"1254393"	234.013485	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Br"	78.918885
"1316478"	236.069472	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Cl+HCOOH"	80.974872
"1331789"	258.051429	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Cl+NaCOOH"	102.956829
"923576"	268.080186	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M-H+CF3COOH"	112.985586
"1297365"	304.056864	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Cl+CF3COOH"	148.962264
"1379903"	120.081924	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H-2H2O"	-35.012676
"1391932"	138.0919	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H-H2O"	-17.0027
"290524"	311.196476	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+H"	1.007276
"678570"	466.291076	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+H"	1.007276
"1353456"	156.101876	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H"	1.007276
"135467"	156.101876	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+2H"	2.014552
"581224"	233.649176	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+2H"	2.014552
"1052709"	78.554576	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2H"	2.014552
"219936"	104.403676	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+3H"	3.021828
"658586"	156.101876	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+3H"	3.021828
"1173793"	52.705476	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+3H"	3.021828
"433786"	328.223023	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+NH4"	18.033823
"794781"	483.317623	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+NH4"	18.033823
"1691111"	173.128423	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+NH4"	18.033823
"345357"	164.6151495	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+H+NH4"	19.041099
"737653"	242.1624495	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+H+NH4"	19.041099
"1492525"	87.0678495	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H+NH4"	19.041099
"407964"	333.178418	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+Na"	22.989218
"767499"	488.273018	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+Na"	22.989218
"1617663"	178.083818	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Na"	22.989218
"328429"	167.092847	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+H+Na"	23.996494
"719149"	244.640147	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+H+Na"	23.996494
"1472970"	89.545547	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H+Na"	23.996494
"1062933"	60.03279	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2H+Na"	25.00377
"1265707"	188.128086	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+CH3OH+H"	33.033486
"389751"	349.152358	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+K"	38.963158
"753305"	504.246958	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+K"	38.963158
"1554628"	194.057758	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+K"	38.963158
"311073"	175.079817	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+H+K"	39.970434
"704588"	252.627117	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+H+K"	39.970434
"1459501"	97.532517	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H+K"	39.970434
"244821"	352.223026	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+ACN+H"	42.033826
"1219716"	197.128426	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+ACN+H"	42.033826
"1203596"	99.067851	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+ACN+2H"	43.041102
"197564"	355.16036	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+2Na-H"	44.97116
"638946"	510.25496	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+2Na-H"	44.97116
"1144644"	200.06576	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2Na-H"	44.97116
"186110"	178.083818	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+2Na"	45.978436
"627493"	255.631118	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+2Na"	45.978436
"1129907"	100.536518	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2Na"	45.978436
"1403952"	67.360104	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H+2Na"	46.985712
"1434977"	202.107346	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H+HCOOH"	47.012746
"227953"	183.11684	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+3H2O+2H"	56.04448
"1514922"	216.15939	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+IsoProp+H"	61.06479
"415700"	186.070788	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+Na+K"	61.952376
"783627"	263.618088	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+Na+K"	61.952376
"1679842"	108.523488	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Na+K"	61.952376
"261740"	374.204968	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+ACN+Na"	64.015768
"1239914"	219.110368	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+ACN+Na"	64.015768
"1722242"	219.133893	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+NH4+HCOOH"	64.039293
"1191257"	74.687418	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+3Na"	68.967654
"1662608"	224.089288	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Na+HCOOH"	68.994688
"169103"	387.10824	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+2K-H"	76.91904
"611096"	542.20284	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+2K-H"	76.91904
"1098643"	232.01364	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2K-H"	76.91904
"154004"	194.057758	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"2M+2K"	77.926316
"595746"	271.605058	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"3M+2K"	77.926316
"1082694"	116.510458	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2K"	77.926316
"1114445"	234.028192	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2K+H"	78.933592
"1350589"	234.115807	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+DMSO+H"	79.021207
"1016562"	238.154976	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2ACN+H"	83.060376
"1532136"	239.148608	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+IsoProp+Na+H"	84.054008
"994210"	119.581126	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+2ACN+2H"	84.067652
"1589805"	240.063228	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+K+HCOOH"	84.968628
"1418743"	270.094738	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+H+CF3COOH"	115.000138
"1151220"	140.094401	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+3ACN+2H"	125.094202
"1699677"	287.121285	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+NH4+CF3COOH"	132.026685
"1639706"	292.07668	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+Na+CF3COOH"	136.98208
"1576450"	308.05062	"C06177"	"Retronecine"	"C8H13NO2"	"155.0946"	"M+K+CF3COOH"	152.95602
"815201"	84.0813	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M"	0
"987640"	65.06291	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-H2O-H"	-19.01839
"75153"	55.046924	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M-3H"	-3.021828
"517629"	83.074024	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M-3H"	-3.021828
"893606"	27.019824	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-3H"	-3.021828
"11088"	83.074024	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M-2H"	-2.014552
"450650"	125.114674	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M-2H"	-2.014552
"822984"	41.033374	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-2H"	-2.014552
"89177"	167.155324	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M-H"	-1.007276
"531654"	251.236624	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M-H"	-1.007276
"901438"	83.074024	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-H"	-1.007276
"58000"	184.181871	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M-2H+NH4"	16.019271
"499750"	268.263171	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M-2H+NH4"	16.019271
"879016"	100.100571	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-2H+NH4"	16.019271
"46182"	189.137266	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M-2H+Na"	20.974666
"479550"	273.218566	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M-2H+Na"	20.974666
"863551"	105.055966	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-2H+Na"	20.974666
"1629073"	105.055966	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Na-2H"	20.974666
"106330"	101.062363	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M-H+Cl"	33.962126
"549298"	143.103013	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M-H+Cl"	33.962126
"940866"	59.021713	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-H+Cl"	33.962126
"282219"	203.132002	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+Cl"	34.969402
"675331"	287.213302	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+Cl"	34.969402
"1288417"	119.050702	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Cl"	34.969402
"30532"	205.111206	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M-2H+K"	36.948606
"467456"	289.192506	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M-2H+K"	36.948606
"840883"	121.029906	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-2H+K"	36.948606
"1563276"	121.029906	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+K-2H"	36.948606
"947147"	129.079494	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-H+HCOOH"	44.998194
"369374"	213.160801	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+HCOOH-H"	44.998201
"348881"	227.176451	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+Hac-H"	59.013851
"1494428"	143.095151	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Hac-H"	59.013851
"961608"	151.061451	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-H+NaCOOH"	66.980151
"118542"	119.050702	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+2Cl"	69.938804
"562848"	161.091352	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+2Cl"	69.938804
"1032742"	77.010052	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2Cl"	69.938804
"1254503"	163.000185	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Br"	78.918885
"1315495"	165.056172	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Cl+HCOOH"	80.974872
"1331897"	187.038129	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Cl+NaCOOH"	102.956829
"921863"	197.066886	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M-H+CF3COOH"	112.985586
"1298568"	233.043564	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Cl+CF3COOH"	148.962264
"1378920"	49.068624	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H-2H2O"	-35.012676
"1393135"	67.0786	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H-H2O"	-17.0027
"290634"	169.169876	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+H"	1.007276
"678681"	253.251176	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+H"	1.007276
"1353566"	85.088576	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H"	1.007276
"126699"	85.088576	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+2H"	2.014552
"572950"	127.129226	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+2H"	2.014552
"1051964"	43.047926	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2H"	2.014552
"218045"	57.061476	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+3H"	3.021828
"659425"	85.088576	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+3H"	3.021828
"1173903"	29.034376	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+3H"	3.021828
"434989"	186.196423	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+NH4"	18.033823
"794891"	270.277723	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+NH4"	18.033823
"1692314"	102.115123	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+NH4"	18.033823
"340598"	93.6018495	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+H+NH4"	19.041099
"735942"	135.6424995	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+H+NH4"	19.041099
"1487937"	51.5611995	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H+NH4"	19.041099
"404429"	191.151818	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+Na"	22.989218
"764329"	275.233118	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+Na"	22.989218
"1614614"	107.070518	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Na"	22.989218
"325744"	96.079547	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+H+Na"	23.996494
"717071"	138.120197	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+H+Na"	23.996494
"1470892"	54.038897	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H+Na"	23.996494
"1061949"	36.36169	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2H+Na"	25.00377
"1263631"	117.114786	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+CH3OH+H"	33.033486
"382206"	207.125758	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+K"	38.963158
"751592"	291.207058	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+K"	38.963158
"1554375"	123.044458	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+K"	38.963158
"313370"	104.066517	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+H+K"	39.970434
"702510"	146.107167	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+H+K"	39.970434
"1456328"	62.025867	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H+K"	39.970434
"247116"	210.196426	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+ACN+H"	42.033826
"1217638"	126.115126	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+ACN+H"	42.033826
"1204797"	63.561201	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+ACN+2H"	43.041102
"195481"	213.13376	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+2Na-H"	44.97116
"639418"	297.21506	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+2Na-H"	44.97116
"1144024"	129.05246	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2Na-H"	44.97116
"182939"	107.070518	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+2Na"	45.978436
"625777"	149.111168	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+2Na"	45.978436
"1123818"	65.029868	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2Na"	45.978436
"1404424"	43.689004	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H+2Na"	46.985712
"1435087"	131.094046	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H+HCOOH"	47.012746
"225875"	112.10354	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+3H2O+2H"	56.04448
"1515031"	145.14609	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+IsoProp+H"	61.06479
"415810"	115.057488	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+Na+K"	61.952376
"781183"	157.098138	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+Na+K"	61.952376
"1678247"	73.016838	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Na+K"	61.952376
"262943"	232.178368	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+ACN+Na"	64.015768
"1236742"	148.097068	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+ACN+Na"	64.015768
"1723445"	148.120593	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+NH4+HCOOH"	64.039293
"1193312"	51.016318	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+3Na"	68.967654
"1662352"	153.075988	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Na+HCOOH"	68.994688
"169943"	245.08164	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+2K-H"	76.91904
"610961"	329.16294	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+2K-H"	76.91904
"1098630"	161.00034	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2K-H"	76.91904
"155809"	123.044458	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"2M+2K"	77.926316
"593669"	165.085108	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"3M+2K"	77.926316
"1082684"	81.003808	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2K"	77.926316
"1114067"	163.014892	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2K+H"	78.933592
"1349606"	163.102507	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+DMSO+H"	79.021207
"1017400"	167.141676	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2ACN+H"	83.060376
"1531153"	168.135308	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+IsoProp+Na+H"	84.054008
"993227"	84.074476	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+2ACN+2H"	84.067652
"1591009"	169.049928	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+K+HCOOH"	84.968628
"1417760"	199.081438	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+H+CF3COOH"	115.000138
"1151330"	104.587751	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+3ACN+2H"	125.094202
"1699787"	216.107985	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+NH4+CF3COOH"	132.026685
"1639816"	221.06338	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+Na+CF3COOH"	136.98208
"1576560"	237.03732	"C06178"	"1-Methylpyrrolinium;1-Methyl-delta(1)-pyrrolinium"	"C5H10N"	"84.0813"	"M+K+CF3COOH"	152.95602
"816745"	141.1154	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M"	0
"989878"	122.09701	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-H2O-H"	-19.01839
"78534"	93.0696573333333	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M-3H"	-3.021828
"517864"	140.108124	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M-3H"	-3.021828
"891531"	46.0311906666667	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-3H"	-3.021828
"13387"	140.108124	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H"	-2.014552
"452585"	210.665824	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H"	-2.014552
"823094"	69.550424	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-2H"	-2.014552
"93664"	281.223524	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M-H"	-1.007276
"532131"	422.338924	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M-H"	-1.007276
"904829"	140.108124	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-H"	-1.007276
"58839"	298.250071	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H+NH4"	16.019271
"500224"	439.365471	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H+NH4"	16.019271
"879764"	157.134671	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-2H+NH4"	16.019271
"46616"	303.205466	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H+Na"	20.974666
"486144"	444.320866	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H+Na"	20.974666
"863825"	162.090066	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-2H+Na"	20.974666
"1634062"	162.090066	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Na-2H"	20.974666
"109685"	158.096463	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M-H+Cl"	33.962126
"549857"	228.654163	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M-H+Cl"	33.962126
"941827"	87.538763	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-H+Cl"	33.962126
"282415"	317.200202	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+Cl"	34.969402
"674142"	458.315602	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+Cl"	34.969402
"1288050"	176.084802	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl"	34.969402
"30073"	319.179406	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H+K"	36.948606
"469753"	460.294806	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H+K"	36.948606
"847554"	178.064006	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-2H+K"	36.948606
"1563386"	178.064006	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+K-2H"	36.948606
"949081"	186.113594	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-H+HCOOH"	44.998194
"369485"	327.229001	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+HCOOH-H"	44.998201
"351180"	341.244651	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+Hac-H"	59.013851
"1494543"	200.129251	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Hac-H"	59.013851
"960260"	208.095551	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-H+NaCOOH"	66.980151
"119745"	176.084802	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+2Cl"	69.938804
"563322"	246.642502	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+2Cl"	69.938804
"1035768"	105.527102	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2Cl"	69.938804
"1253154"	220.034285	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Br"	78.918885
"1318520"	222.090272	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl+HCOOH"	80.974872
"1334559"	244.072229	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl+NaCOOH"	102.956829
"924888"	254.100986	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M-H+CF3COOH"	112.985586
"1299771"	290.077664	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl+CF3COOH"	148.962264
"1379030"	106.102724	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H-2H2O"	-35.012676
"1392152"	124.1127	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H-H2O"	-17.0027
"290744"	283.238076	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+H"	1.007276
"678791"	424.353476	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+H"	1.007276
"1354043"	142.122676	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H"	1.007276
"126568"	142.122676	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+2H"	2.014552
"574153"	212.680376	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+2H"	2.014552
"1052740"	71.564976	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2H"	2.014552
"219491"	95.0842093333333	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+3H"	3.021828
"656616"	142.122676	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+3H"	3.021828
"1177295"	48.0457426666667	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+3H"	3.021828
"432912"	300.264623	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+NH4"	18.033823
"795001"	441.380023	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+NH4"	18.033823
"1693518"	159.149223	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+NH4"	18.033823
"343623"	150.6359495	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+H+NH4"	19.041099
"738431"	221.1936495	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+H+NH4"	19.041099
"1490966"	80.0782495	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H+NH4"	19.041099
"407823"	305.220018	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+Na"	22.989218
"767359"	446.335418	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+Na"	22.989218
"1617522"	164.104618	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Na"	22.989218
"327920"	153.113647	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+H+Na"	23.996494
"718276"	223.671347	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+H+Na"	23.996494
"1473188"	82.555947	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H+Na"	23.996494
"1067164"	55.3730566666667	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2H+Na"	25.00377
"1268114"	174.148886	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+CH3OH+H"	33.033486
"389971"	321.193958	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+K"	38.963158
"753041"	462.309358	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+K"	38.963158
"1554488"	180.078558	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+K"	38.963158
"313772"	161.100617	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+H+K"	39.970434
"706718"	231.658317	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+H+K"	39.970434
"1459721"	90.542917	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H+K"	39.970434
"248320"	324.264626	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+ACN+H"	42.033826
"1219934"	183.149226	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+ACN+H"	42.033826
"1205638"	92.078251	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+ACN+2H"	43.041102
"195591"	327.20196	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+2Na-H"	44.97116
"640622"	468.31736	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+2Na-H"	44.97116
"1144503"	186.08656	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2Na-H"	44.97116
"183778"	164.104618	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+2Na"	45.978436
"626983"	234.662318	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+2Na"	45.978436
"1128300"	93.546918	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2Na"	45.978436
"1405268"	62.7003706666667	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H+2Na"	46.985712
"1443218"	188.128146	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H+HCOOH"	47.012746
"228173"	169.13764	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+3H2O+2H"	56.04448
"1517328"	202.18019	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+IsoProp+H"	61.06479
"418107"	172.091588	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+Na+K"	61.952376
"780929"	242.649288	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+Na+K"	61.952376
"1677993"	101.533888	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Na+K"	61.952376
"261596"	346.246568	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+ACN+Na"	64.015768
"1234667"	205.131168	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+ACN+Na"	64.015768
"1725743"	205.154693	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+NH4+HCOOH"	64.039293
"1194034"	70.0276846666667	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+3Na"	68.967654
"1664890"	210.110088	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Na+HCOOH"	68.994688
"172240"	359.14984	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+2K-H"	76.91904
"612486"	500.26524	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+2K-H"	76.91904
"1099104"	218.03444	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2K-H"	76.91904
"154943"	180.078558	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"2M+2K"	77.926316
"593779"	250.636258	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"3M+2K"	77.926316
"1082300"	109.520858	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2K"	77.926316
"1113326"	220.048992	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2K+H"	78.933592
"1350688"	220.136607	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+DMSO+H"	79.021207
"1008760"	224.175776	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2ACN+H"	83.060376
"1532356"	225.169408	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+IsoProp+Na+H"	84.054008
"994429"	112.591526	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+2ACN+2H"	84.067652
"1594397"	226.084028	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+K+HCOOH"	84.968628
"1418964"	256.115538	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+H+CF3COOH"	115.000138
"1151440"	133.104801	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+3ACN+2H"	125.094202
"1700990"	273.142085	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+NH4+CF3COOH"	132.026685
"1636646"	278.09748	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+Na+CF3COOH"	136.98208
"1574482"	294.07142	"C06179"	"Hygrine;()-Hygrine"	"C8H15NO"	"141.1154"	"M+K+CF3COOH"	152.95602
"809223"	162.1157	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M"	0
"979475"	143.09731	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-H2O-H"	-19.01839
"72092"	107.069857333333	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M-3H"	-3.021828
"514933"	161.108424	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M-3H"	-3.021828
"889454"	53.0312906666667	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-3H"	-3.021828
"8029"	161.108424	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M-2H"	-2.014552
"448683"	242.166274	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M-2H"	-2.014552
"823204"	80.050574	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-2H"	-2.014552
"87574"	323.224124	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M-H"	-1.007276
"528957"	485.339824	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M-H"	-1.007276
"907856"	161.108424	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-H"	-1.007276
"58220"	340.250671	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M-2H+NH4"	16.019271
"496324"	502.366371	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M-2H+NH4"	16.019271
"874857"	178.134971	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-2H+NH4"	16.019271
"44944"	345.206066	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M-2H+Na"	20.974666
"479770"	507.321766	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M-2H+Na"	20.974666
"857571"	183.090366	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-2H+Na"	20.974666
"1630384"	183.090366	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Na-2H"	20.974666
"106914"	179.096763	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M-H+Cl"	33.962126
"548787"	260.154613	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M-H+Cl"	33.962126
"941815"	98.038913	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-H+Cl"	33.962126
"277453"	359.200802	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+Cl"	34.969402
"666594"	521.316502	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+Cl"	34.969402
"1287630"	197.085102	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Cl"	34.969402
"27022"	361.180006	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M-2H+K"	36.948606
"465489"	523.295706	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M-2H+K"	36.948606
"840009"	199.064306	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-2H+K"	36.948606
"1564591"	199.064306	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+K-2H"	36.948606
"950286"	207.113894	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-H+HCOOH"	44.998194
"364856"	369.229601	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+HCOOH-H"	44.998201
"350197"	383.245251	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+Hac-H"	59.013851
"1499029"	221.129551	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Hac-H"	59.013851
"960005"	229.095851	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-H+NaCOOH"	66.980151
"119855"	197.085102	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+2Cl"	69.938804
"562336"	278.142952	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+2Cl"	69.938804
"1036243"	116.027252	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2Cl"	69.938804
"1252537"	241.034585	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Br"	78.918885
"1317174"	243.090572	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Cl+HCOOH"	80.974872
"1332118"	265.072529	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Cl+NaCOOH"	102.956829
"924269"	275.101286	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M-H+CF3COOH"	112.985586
"1297695"	311.077964	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Cl+CF3COOH"	148.962264
"1380234"	127.103024	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H-2H2O"	-35.012676
"1397729"	145.113	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H-H2O"	-17.0027
"291948"	325.238676	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+H"	1.007276
"681088"	487.354376	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+H"	1.007276
"1353060"	163.122976	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H"	1.007276
"127045"	163.122976	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+2H"	2.014552
"573170"	244.180826	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+2H"	2.014552
"1052304"	82.065126	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2H"	2.014552
"219875"	109.084409333333	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+3H"	3.021828
"656362"	163.122976	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+3H"	3.021828
"1175582"	55.0458426666667	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+3H"	3.021828
"436305"	342.265223	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+NH4"	18.033823
"798030"	504.380923	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+NH4"	18.033823
"1692173"	180.149523	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+NH4"	18.033823
"344585"	171.6362495	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+H+NH4"	19.041099
"736893"	252.6940995	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+H+NH4"	19.041099
"1491076"	90.5783995	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H+NH4"	19.041099
"406110"	347.220618	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+Na"	22.989218
"766741"	509.336318	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+Na"	22.989218
"1616661"	185.104918	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Na"	22.989218
"328640"	174.113947	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+H+Na"	23.996494
"717291"	255.171797	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+H+Na"	23.996494
"1471113"	93.056097	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H+Na"	23.996494
"1065814"	62.3731566666667	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2H+Na"	25.00377
"1266037"	195.149186	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+CH3OH+H"	33.033486
"391176"	363.194558	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+K"	38.963158
"752906"	525.310258	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+K"	38.963158
"1554476"	201.078858	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+K"	38.963158
"313841"	182.100917	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+H+K"	39.970434
"705653"	263.158767	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+H+K"	39.970434
"1459469"	101.043067	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H+K"	39.970434
"248432"	366.265226	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+ACN+H"	42.033826
"1222962"	204.149526	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+ACN+H"	42.033826
"1203563"	102.578401	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+ACN+2H"	43.041102
"196795"	369.20256	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+2Na-H"	44.97116
"640003"	531.31826	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+2Na-H"	44.97116
"1138769"	207.08686	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2Na-H"	44.97116
"182059"	185.104918	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+2Na"	45.978436
"627093"	266.162768	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+2Na"	45.978436
"1128776"	104.047068	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2Na"	45.978436
"1409745"	69.7004706666667	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H+2Na"	46.985712
"1441869"	209.128446	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H+HCOOH"	47.012746
"233389"	190.13794	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+3H2O+2H"	56.04448
"1521453"	223.18049	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+IsoProp+H"	61.06479
"419313"	193.091888	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+Na+K"	61.952376
"778123"	274.149738	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+Na+K"	61.952376
"1674457"	112.034038	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Na+K"	61.952376
"258790"	388.247168	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+ACN+Na"	64.015768
"1231498"	226.131468	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+ACN+Na"	64.015768
"1723666"	226.154993	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+NH4+HCOOH"	64.039293
"1193693"	77.0277846666667	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+3Na"	68.967654
"1664758"	231.110388	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Na+HCOOH"	68.994688
"172467"	401.15044	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+2K-H"	76.91904
"609715"	563.26614	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+2K-H"	76.91904
"1099214"	239.03474	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2K-H"	76.91904
"152502"	201.078858	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"2M+2K"	77.926316
"592428"	282.136708	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"3M+2K"	77.926316
"1080587"	120.021008	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2K"	77.926316
"1113072"	241.049292	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2K+H"	78.933592
"1349339"	241.136907	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+DMSO+H"	79.021207
"1007776"	245.176076	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2ACN+H"	83.060376
"1532465"	246.169708	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+IsoProp+Na+H"	84.054008
"993445"	123.091676	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+2ACN+2H"	84.067652
"1590134"	247.084328	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+K+HCOOH"	84.968628
"1416888"	277.115838	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+H+CF3COOH"	115.000138
"1150456"	143.604951	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+3ACN+2H"	125.094202
"1702194"	294.142385	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+NH4+CF3COOH"	132.026685
"1636756"	299.09778	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+Na+CF3COOH"	136.98208
"1574592"	315.07172	"C06180"	"Anabasine"	"C10H14N2"	"162.1157"	"M+K+CF3COOH"	152.95602
"809333"	83.0735	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M"	0
"979585"	64.05511	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-H2O-H"	-19.01839
"72202"	54.3750573333333	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M-3H"	-3.021828
"513949"	82.066224	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M-3H"	-3.021828
"890657"	26.6838906666667	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-3H"	-3.021828
"11419"	82.066224	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M-2H"	-2.014552
"448793"	123.602974	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M-2H"	-2.014552
"823314"	40.529474	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-2H"	-2.014552
"87684"	165.139724	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M-H"	-1.007276
"527974"	248.213224	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M-H"	-1.007276
"908330"	82.066224	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-H"	-1.007276
"57966"	182.166271	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M-2H+NH4"	16.019271
"496797"	265.239771	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M-2H+NH4"	16.019271
"876424"	99.092771	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-2H+NH4"	16.019271
"45176"	187.121666	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M-2H+Na"	20.974666
"485956"	270.195166	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M-2H+Na"	20.974666
"862908"	104.048166	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-2H+Na"	20.974666
"1630494"	104.048166	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Na-2H"	20.974666
"108117"	100.054563	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M-H+Cl"	33.962126
"548047"	141.591313	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M-H+Cl"	33.962126
"941682"	58.517813	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-H+Cl"	33.962126
"277563"	201.116402	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+Cl"	34.969402
"667797"	284.189902	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+Cl"	34.969402
"1284577"	118.042902	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Cl"	34.969402
"24943"	203.095606	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M-2H+K"	36.948606
"466692"	286.169106	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M-2H+K"	36.948606
"846317"	120.022106	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-2H+K"	36.948606
"1569441"	120.022106	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+K-2H"	36.948606
"950396"	128.071694	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-H+HCOOH"	44.998194
"368610"	211.145201	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+HCOOH-H"	44.998201
"351400"	225.160851	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+Hac-H"	59.013851
"1498773"	142.087351	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Hac-H"	59.013851
"961209"	150.053651	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-H+NaCOOH"	66.980151
"117778"	118.042902	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+2Cl"	69.938804
"562446"	159.579652	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+2Cl"	69.938804
"1036722"	76.506152	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2Cl"	69.938804
"1253011"	161.992385	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Br"	78.918885
"1319393"	164.048372	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Cl+HCOOH"	80.974872
"1332957"	186.030329	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Cl+NaCOOH"	102.956829
"925472"	196.059086	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M-H+CF3COOH"	112.985586
"1299993"	232.035764	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Cl+CF3COOH"	148.962264
"1382046"	48.060824	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H-2H2O"	-35.012676
"1397355"	66.0708	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H-H2O"	-17.0027
"296432"	167.154276	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+H"	1.007276
"685572"	250.227776	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+H"	1.007276
"1354264"	84.080776	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H"	1.007276
"127883"	84.080776	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+2H"	2.014552
"575466"	125.617526	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+2H"	2.014552
"1048646"	42.544026	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2H"	2.014552
"218980"	56.3896093333333	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+3H"	3.021828
"653919"	84.080776	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+3H"	3.021828
"1170951"	28.6984426666667	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+3H"	3.021828
"429850"	184.180823	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+NH4"	18.033823
"796314"	267.254323	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+NH4"	18.033823
"1688270"	101.107323	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+NH4"	18.033823
"342018"	92.5940495	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+H+NH4"	19.041099
"737609"	134.1307995	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+H+NH4"	19.041099
"1490456"	51.0572995	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H+NH4"	19.041099
"404761"	189.136218	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+Na"	22.989218
"767214"	272.209718	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+Na"	22.989218
"1617864"	106.062718	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Na"	22.989218
"326440"	95.071747	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+H+Na"	23.996494
"717402"	136.608497	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+H+Na"	23.996494
"1472317"	53.534997	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H+Na"	23.996494
"1064466"	36.0257566666667	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2H+Na"	25.00377
"1266146"	116.106986	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+CH3OH+H"	33.033486
"392380"	205.110158	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+K"	38.963158
"752652"	288.183658	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+K"	38.963158
"1554223"	122.036658	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+K"	38.963158
"313344"	103.058717	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+H+K"	39.970434
"705031"	144.595467	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+H+K"	39.970434
"1459215"	61.521967	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H+K"	39.970434
"247813"	208.180826	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+ACN+H"	42.033826
"1223438"	125.107326	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+ACN+H"	42.033826
"1205131"	63.057301	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+ACN+2H"	43.041102
"196907"	211.11816	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+2Na-H"	44.97116
"641207"	294.19166	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+2Na-H"	44.97116
"1144348"	128.04466	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2Na-H"	44.97116
"181076"	106.062718	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+2Na"	45.978436
"626839"	147.599468	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+2Na"	45.978436
"1124147"	64.525968	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2Na"	45.978436
"1409491"	43.3530706666667	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H+2Na"	46.985712
"1438698"	130.086246	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H+HCOOH"	47.012746
"229487"	111.09574	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+3H2O+2H"	56.04448
"1518643"	144.13829	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+IsoProp+H"	61.06479
"419423"	114.049688	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+Na+K"	61.952376
"777138"	155.586438	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+Na+K"	61.952376
"1674567"	72.512938	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Na+K"	61.952376
"264737"	230.162768	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+ACN+Na"	64.015768
"1237809"	147.089268	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+ACN+Na"	64.015768
"1728162"	147.112793	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+NH4+HCOOH"	64.039293
"1194004"	50.6803846666667	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+3Na"	68.967654
"1664869"	152.068188	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Na+HCOOH"	68.994688
"171729"	243.06604	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+2K-H"	76.91904
"609829"	326.13954	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+2K-H"	76.91904
"1095067"	159.99254	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2K-H"	76.91904
"151149"	122.036658	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"2M+2K"	77.926316
"591082"	163.573408	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"3M+2K"	77.926316
"1078147"	80.499908	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2K"	77.926316
"1113181"	162.007092	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2K+H"	78.933592
"1349572"	162.094707	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+DMSO+H"	79.021207
"1012261"	166.133876	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2ACN+H"	83.060376
"1532212"	167.127508	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+IsoProp+Na+H"	84.054008
"1001941"	83.570576	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+2ACN+2H"	84.067652
"1593524"	168.042128	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+K+HCOOH"	84.968628
"1418091"	198.073638	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+H+CF3COOH"	115.000138
"1150567"	104.083851	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+3ACN+2H"	125.094202
"1701211"	215.100185	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+NH4+CF3COOH"	132.026685
"1636866"	220.05558	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+Na+CF3COOH"	136.98208
"1574702"	236.02952	"C06181"	"Piperideine;1-Piperideine"	"C5H9N"	"83.0735"	"M+K+CF3COOH"	152.95602
"809443"	141.1154	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M"	0
"980788"	122.09701	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-H2O-H"	-19.01839
"73405"	93.0696573333333	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M-3H"	-3.021828
"515152"	140.108124	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M-3H"	-3.021828
"887486"	46.0311906666667	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-3H"	-3.021828
"10435"	140.108124	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M-2H"	-2.014552
"451090"	210.665824	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M-2H"	-2.014552
"823424"	69.550424	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-2H"	-2.014552
"89616"	281.223524	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M-H"	-1.007276
"531365"	422.338924	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M-H"	-1.007276
"900785"	140.108124	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-H"	-1.007276
"60992"	298.250071	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M-2H+NH4"	16.019271
"493626"	439.365471	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M-2H+NH4"	16.019271
"878602"	157.134671	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-2H+NH4"	16.019271
"45527"	303.205466	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M-2H+Na"	20.974666
"484366"	444.320866	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M-2H+Na"	20.974666
"862169"	162.090066	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-2H+Na"	20.974666
"1632791"	162.090066	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Na-2H"	20.974666
"108227"	158.096463	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M-H+Cl"	33.962126
"548158"	228.654163	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M-H+Cl"	33.962126
"941184"	87.538763	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-H+Cl"	33.962126
"278766"	317.200202	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+Cl"	34.969402
"669000"	458.315602	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+Cl"	34.969402
"1287362"	176.084802	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Cl"	34.969402
"27240"	319.179406	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M-2H+K"	36.948606
"466802"	460.294806	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M-2H+K"	36.948606
"847156"	178.064006	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-2H+K"	36.948606
"1569917"	178.064006	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+K-2H"	36.948606
"953423"	186.113594	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-H+HCOOH"	44.998194
"369815"	327.229001	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+HCOOH-H"	44.998201
"355885"	341.244651	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+Hac-H"	59.013851
"1500343"	200.129251	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Hac-H"	59.013851
"964967"	208.095551	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-H+NaCOOH"	66.980151
"114608"	176.084802	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+2Cl"	69.938804
"562920"	246.642502	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+2Cl"	69.938804
"1033543"	105.527102	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2Cl"	69.938804
"1251298"	220.034285	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Br"	78.918885
"1311559"	222.090272	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Cl+HCOOH"	80.974872
"1335258"	244.072229	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Cl+NaCOOH"	102.956829
"925582"	254.100986	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M-H+CF3COOH"	112.985586
"1300103"	290.077664	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Cl+CF3COOH"	148.962264
"1380454"	106.102724	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H-2H2O"	-35.012676
"1397828"	124.1127	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H-H2O"	-17.0027
"296542"	283.238076	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+H"	1.007276
"686776"	424.353476	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+H"	1.007276
"1359844"	142.122676	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H"	1.007276
"126901"	142.122676	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+2H"	2.014552
"574482"	212.680376	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+2H"	2.014552
"1050943"	71.564976	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2H"	2.014552
"217749"	95.0842093333333	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+3H"	3.021828
"651842"	142.122676	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+3H"	3.021828
"1173250"	48.0457426666667	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+3H"	3.021828
"435066"	300.264623	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+NH4"	18.033823
"794239"	441.380023	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+NH4"	18.033823
"1688744"	159.149223	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+NH4"	18.033823
"343225"	150.6359495	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+H+NH4"	19.041099
"733466"	221.1936495	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+H+NH4"	19.041099
"1487287"	80.0782495	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H+NH4"	19.041099
"401591"	305.220018	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+Na"	22.989218
"763677"	446.335418	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+Na"	22.989218
"1616151"	164.104618	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Na"	22.989218
"328374"	153.113647	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+H+Na"	23.996494
"719700"	223.671347	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+H+Na"	23.996494
"1471335"	82.555947	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H+Na"	23.996494
"1066398"	55.3730566666667	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2H+Na"	25.00377
"1265162"	174.148886	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+CH3OH+H"	33.033486
"387020"	321.193958	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+K"	38.963158
"752762"	462.309358	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+K"	38.963158
"1554087"	180.078558	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+K"	38.963158
"313329"	161.100617	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+H+K"	39.970434
"705506"	231.658317	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+H+K"	39.970434
"1460054"	90.542917	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H+K"	39.970434
"249747"	324.264626	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+ACN+H"	42.033826
"1223912"	183.149226	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+ACN+H"	42.033826
"1205970"	92.078251	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+ACN+2H"	43.041102
"199933"	327.20196	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+2Na-H"	44.97116
"641682"	468.31736	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+2Na-H"	44.97116
"1143365"	186.08656	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2Na-H"	44.97116
"181186"	164.104618	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+2Na"	45.978436
"626946"	234.662318	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+2Na"	45.978436
"1124984"	93.546918	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2Na"	45.978436
"1410693"	62.7003706666667	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H+2Na"	46.985712
"1442089"	188.128146	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H+HCOOH"	47.012746
"234701"	169.13764	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+3H2O+2H"	56.04448
"1518753"	202.18019	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+IsoProp+H"	61.06479
"416253"	172.091588	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+Na+K"	61.952376
"780529"	242.649288	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+Na+K"	61.952376
"1679781"	101.533888	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Na+K"	61.952376
"263390"	346.246568	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+ACN+Na"	64.015768
"1239377"	205.131168	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+ACN+Na"	64.015768
"1727785"	205.154693	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+NH4+HCOOH"	64.039293
"1193509"	70.0276846666667	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+3Na"	68.967654
"1664735"	210.110088	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Na+HCOOH"	68.994688
"170014"	359.14984	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+2K-H"	76.91904
"608844"	500.26524	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+2K-H"	76.91904
"1096270"	218.03444	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2K-H"	76.91904
"150166"	180.078558	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"2M+2K"	77.926316
"589734"	250.636258	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"3M+2K"	77.926316
"1078982"	109.520858	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2K"	77.926316
"1111103"	220.048992	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2K+H"	78.933592
"1350776"	220.136607	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+DMSO+H"	79.021207
"1009093"	224.175776	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2ACN+H"	83.060376
"1529408"	225.169408	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+IsoProp+Na+H"	84.054008
"1004241"	112.591526	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+2ACN+2H"	84.067652
"1600200"	226.084028	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+K+HCOOH"	84.968628
"1417108"	256.115538	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+H+CF3COOH"	115.000138
"1149583"	133.104801	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+3ACN+2H"	125.094202
"1703507"	273.142085	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+NH4+CF3COOH"	132.026685
"1636976"	278.09748	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+Na+CF3COOH"	136.98208
"1573719"	294.07142	"C06182"	"Pelletierine"	"C8H15NO"	"141.1154"	"M+K+CF3COOH"	152.95602
"809553"	224.1889	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M"	0
"985273"	205.17051	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-H2O-H"	-19.01839
"77405"	148.451990666667	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M-3H"	-3.021828
"516357"	223.181624	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M-3H"	-3.021828
"894889"	73.7223573333333	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-3H"	-3.021828
"12733"	223.181624	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M-2H"	-2.014552
"449013"	335.276074	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M-2H"	-2.014552
"830095"	111.087174	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-2H"	-2.014552
"87902"	447.370524	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M-H"	-1.007276
"529648"	671.559424	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M-H"	-1.007276
"900895"	223.181624	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-H"	-1.007276
"59643"	464.397071	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M-2H+NH4"	16.019271
"497016"	688.585971	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M-2H+NH4"	16.019271
"877372"	240.208171	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-2H+NH4"	16.019271
"45637"	469.352466	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M-2H+Na"	20.974666
"483383"	693.541366	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M-2H+Na"	20.974666
"863007"	245.163566	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-2H+Na"	20.974666
"1633509"	245.163566	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Na-2H"	20.974666
"108337"	241.169963	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M-H+Cl"	33.962126
"549119"	353.264413	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M-H+Cl"	33.962126
"942105"	129.075513	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-H+Cl"	33.962126
"278876"	483.347202	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+Cl"	34.969402
"671297"	707.536102	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+Cl"	34.969402
"1288040"	259.158302	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Cl"	34.969402
"30146"	485.326406	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M-2H+K"	36.948606
"471292"	709.515306	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M-2H+K"	36.948606
"848466"	261.137506	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-2H+K"	36.948606
"1568933"	261.137506	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+K-2H"	36.948606
"951712"	269.187094	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-H+HCOOH"	44.998194
"369925"	493.376001	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+HCOOH-H"	44.998201
"353809"	507.391651	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+Hac-H"	59.013851
"1498265"	283.202751	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Hac-H"	59.013851
"964713"	291.169051	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-H+NaCOOH"	66.980151
"110700"	259.158302	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+2Cl"	69.938804
"560843"	371.252752	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+2Cl"	69.938804
"1031827"	147.063852	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2Cl"	69.938804
"1251408"	303.107785	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Br"	78.918885
"1319208"	305.163772	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Cl+HCOOH"	80.974872
"1333906"	327.145729	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Cl+NaCOOH"	102.956829
"926060"	337.174486	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M-H+CF3COOH"	112.985586
"1302036"	373.151164	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Cl+CF3COOH"	148.962264
"1381415"	189.176224	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H-2H2O"	-35.012676
"1396969"	207.1862	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H-H2O"	-17.0027
"295559"	449.385076	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+H"	1.007276
"687980"	673.573976	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+H"	1.007276
"1362140"	225.196176	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H"	1.007276
"135029"	225.196176	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+2H"	2.014552
"570214"	337.290626	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+2H"	2.014552
"1038038"	113.101726	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2H"	2.014552
"215673"	150.466542666667	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+3H"	3.021828
"656327"	225.196176	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+3H"	3.021828
"1171172"	75.7369093333333	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+3H"	3.021828
"433351"	466.411623	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+NH4"	18.033823
"794346"	690.600523	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+NH4"	18.033823
"1687396"	242.222723	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+NH4"	18.033823
"342239"	233.7094495	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+H+NH4"	19.041099
"734668"	345.8038995	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+H+NH4"	19.041099
"1489583"	121.6149995	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H+NH4"	19.041099
"402794"	471.367018	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+Na"	22.989218
"765973"	695.555918	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+Na"	22.989218
"1614801"	247.178118	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Na"	22.989218
"323016"	236.187147	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+H+Na"	23.996494
"716530"	348.281597	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+H+Na"	23.996494
"1471444"	124.092697	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H+Na"	23.996494
"1063594"	83.0642233333333	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2H+Na"	25.00377
"1263085"	257.222386	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+CH3OH+H"	33.033486
"387859"	487.340958	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+K"	38.963158
"750318"	711.529858	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+K"	38.963158
"1553102"	263.152058	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+K"	38.963158
"313600"	244.174117	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+H+K"	39.970434
"706342"	356.268567	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+H+K"	39.970434
"1459798"	132.079667	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H+K"	39.970434
"250589"	490.411626	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+ACN+H"	42.033826
"1225121"	266.222726	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+ACN+H"	42.033826
"1206813"	133.615001	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+ACN+2H"	43.041102
"200775"	493.34896	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+2Na-H"	44.97116
"639604"	717.53786	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+2Na-H"	44.97116
"1144205"	269.16006	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2Na-H"	44.97116
"181296"	247.178118	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+2Na"	45.978436
"625963"	359.272568	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+2Na"	45.978436
"1127645"	135.083668	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2Na"	45.978436
"1407888"	90.3915373333333	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H+2Na"	46.985712
"1438919"	271.201646	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H+HCOOH"	47.012746
"231895"	252.21114	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+3H2O+2H"	56.04448
"1518863"	285.25369	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+IsoProp+H"	61.06479
"417456"	255.165088	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+Na+K"	61.952376
"783925"	367.259538	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+Na+K"	61.952376
"1680015"	143.070638	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Na+K"	61.952376
"266052"	512.393568	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+ACN+Na"	64.015768
"1239125"	288.204668	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+ACN+Na"	64.015768
"1727285"	288.228193	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+NH4+HCOOH"	64.039293
"1193376"	97.7188513333333	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+3Na"	68.967654
"1663631"	293.183588	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Na+HCOOH"	68.994688
"169762"	525.29684	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+2K-H"	76.91904
"610415"	749.48574	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+2K-H"	76.91904
"1094924"	301.10794	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2K-H"	76.91904
"153198"	263.152058	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"2M+2K"	77.926316
"591304"	375.246508	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"3M+2K"	77.926316
"1081283"	151.057608	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2K"	77.926316
"1111213"	303.122492	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2K+H"	78.933592
"1349913"	303.210107	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+DMSO+H"	79.021207
"1011389"	307.249276	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2ACN+H"	83.060376
"1531702"	308.242908	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+IsoProp+Na+H"	84.054008
"1002892"	154.128276	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+2ACN+2H"	84.067652
"1599945"	309.157528	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+K+HCOOH"	84.968628
"1428520"	339.189038	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+H+CF3COOH"	115.000138
"1150787"	174.641551	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+3ACN+2H"	125.094202
"1703617"	356.215585	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+NH4+CF3COOH"	132.026685
"1637086"	361.17098	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+Na+CF3COOH"	136.98208
"1574922"	377.14492	"C06183"	"L-()-Anaferine;Anapheline"	"C13H24N2O"	"224.1889"	"M+K+CF3COOH"	152.95602
"809663"	155.131	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M"	0
"985383"	136.11261	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-H2O-H"	-19.01839
"76543"	102.413390666667	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M-3H"	-3.021828
"516467"	154.123724	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M-3H"	-3.021828
"893176"	50.7030573333333	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-3H"	-3.021828
"11750"	154.123724	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M-2H"	-2.014552
"453134"	231.689224	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M-2H"	-2.014552
"826925"	76.558224	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-2H"	-2.014552
"90198"	309.254724	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M-H"	-1.007276
"529758"	464.385724	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M-H"	-1.007276
"906470"	154.123724	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-H"	-1.007276
"61335"	326.281271	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M-2H+NH4"	16.019271
"501259"	481.412271	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M-2H+NH4"	16.019271
"878699"	171.150271	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-2H+NH4"	16.019271
"45384"	331.236666	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M-2H+Na"	20.974666
"484586"	486.367666	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M-2H+Na"	20.974666
"863846"	176.105666	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-2H+Na"	20.974666
"1631917"	176.105666	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Na-2H"	20.974666
"109176"	172.112063	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M-H+Cl"	33.962126
"548743"	249.677563	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M-H+Cl"	33.962126
"941892"	94.546563	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-H+Cl"	33.962126
"280079"	345.231402	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+Cl"	34.969402
"673230"	500.362402	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+Cl"	34.969402
"1288345"	190.100402	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Cl"	34.969402
"29892"	347.210606	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M-2H+K"	36.948606
"469211"	502.341606	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M-2H+K"	36.948606
"847015"	192.079606	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-2H+K"	36.948606
"1569407"	192.079606	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+K-2H"	36.948606
"955102"	200.129194	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-H+HCOOH"	44.998194
"374411"	355.260201	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+HCOOH-H"	44.998201
"359751"	369.275851	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+Hac-H"	59.013851
"1499472"	214.144851	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Hac-H"	59.013851
"963731"	222.111151	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-H+NaCOOH"	66.980151
"111906"	190.100402	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+2Cl"	69.938804
"560953"	267.665902	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+2Cl"	69.938804
"1036680"	112.534902	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2Cl"	69.938804
"1252611"	234.049885	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Br"	78.918885
"1319679"	236.105872	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Cl+HCOOH"	80.974872
"1334016"	258.087829	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Cl+NaCOOH"	102.956829
"925438"	268.116586	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M-H+CF3COOH"	112.985586
"1301053"	304.093264	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Cl+CF3COOH"	148.962264
"1381646"	120.118324	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H-2H2O"	-35.012676
"1398134"	138.1283	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H-H2O"	-17.0027
"298225"	311.269276	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+H"	1.007276
"689183"	466.400276	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+H"	1.007276
"1362250"	156.138276	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H"	1.007276
"135139"	156.138276	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+2H"	2.014552
"571417"	233.703776	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+2H"	2.014552
"1038390"	78.572776	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2H"	2.014552
"216883"	104.427942666667	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+3H"	3.021828
"658748"	156.138276	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+3H"	3.021828
"1170553"	52.7176093333333	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+3H"	3.021828
"433461"	328.295823	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+NH4"	18.033823
"796645"	483.426823	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+NH4"	18.033823
"1687870"	173.164823	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+NH4"	18.033823
"340891"	164.6515495	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+H+NH4"	19.041099
"728217"	242.2170495	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+H+NH4"	19.041099
"1485318"	87.0860495	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H+NH4"	19.041099
"400718"	333.251218	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+Na"	22.989218
"761712"	488.382218	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+Na"	22.989218
"1613089"	178.120218	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Na"	22.989218
"323126"	167.129247	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+H+Na"	23.996494
"715547"	244.694747	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+H+Na"	23.996494
"1471553"	89.563747	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H+Na"	23.996494
"1061517"	60.0449233333333	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2H+Na"	25.00377
"1263196"	188.164486	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+CH3OH+H"	33.033486
"388333"	349.225158	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+K"	38.963158
"750428"	504.356158	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+K"	38.963158
"1549201"	194.094158	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+K"	38.963158
"312938"	175.116217	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+H+K"	39.970434
"706452"	252.681717	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+H+K"	39.970434
"1459908"	97.550717	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H+K"	39.970434
"248871"	352.295826	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+ACN+H"	42.033826
"1221215"	197.164826	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+ACN+H"	42.033826
"1206192"	99.086051	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+ACN+2H"	43.041102
"200886"	355.23316	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+2Na-H"	44.97116
"639714"	510.36416	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+2Na-H"	44.97116
"1142856"	200.10216	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2Na-H"	44.97116
"179219"	178.120218	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+2Na"	45.978436
"626435"	255.685718	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+2Na"	45.978436
"1124839"	100.554718	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2Na"	45.978436
"1405811"	67.3722373333333	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H+2Na"	46.985712
"1439029"	202.143746	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H+HCOOH"	47.012746
"228725"	183.15324	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+3H2O+2H"	56.04448
"1514600"	216.19579	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+IsoProp+H"	61.06479
"417566"	186.107188	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+Na+K"	61.952376
"784642"	263.672688	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+Na+K"	61.952376
"1680245"	108.541688	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Na+K"	61.952376
"266648"	374.277768	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+ACN+Na"	64.015768
"1239720"	219.146768	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+ACN+Na"	64.015768
"1727023"	219.170293	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+NH4+HCOOH"	64.039293
"1192756"	74.6995513333333	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+3Na"	68.967654
"1663740"	224.125688	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Na+HCOOH"	68.994688
"171328"	387.18104	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+2K-H"	76.91904
"606876"	542.31204	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+2K-H"	76.91904
"1096491"	232.05004	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2K-H"	76.91904
"152213"	194.094158	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"2M+2K"	77.926316
"592138"	271.659658	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"3M+2K"	77.926316
"1080660"	116.528658	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2K"	77.926316
"1112051"	234.064592	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2K+H"	78.933592
"1350265"	234.152207	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+DMSO+H"	79.021207
"1008218"	238.191376	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2ACN+H"	83.060376
"1531814"	239.185008	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+IsoProp+Na+H"	84.054008
"1003731"	119.599326	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+2ACN+2H"	84.067652
"1600055"	240.099628	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+K+HCOOH"	84.968628
"1428264"	270.131138	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+H+CF3COOH"	115.000138
"1158551"	140.112601	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+3ACN+2H"	125.094202
"1704821"	287.157685	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+NH4+CF3COOH"	132.026685
"1637196"	292.11308	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+Na+CF3COOH"	136.98208
"1575032"	308.08702	"C06184"	"N-Methylpelletierine"	"C9H17NO"	"155.131"	"M+K+CF3COOH"	152.95602
"813056"	198.1368	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M"	0
"983308"	179.11841	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-H2O-H"	-19.01839
"72644"	131.083924	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M-3H"	-3.021828
"512204"	197.129524	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M-3H"	-3.021828
"891828"	65.038324	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-3H"	-3.021828
"10767"	197.129524	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M-2H"	-2.014552
"454706"	296.197924	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M-2H"	-2.014552
"832518"	98.061124	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-2H"	-2.014552
"91892"	395.266324	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M-H"	-1.007276
"531694"	593.403124	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M-H"	-1.007276
"907673"	197.129524	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-H"	-1.007276
"59495"	412.292871	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M-2H+NH4"	16.019271
"497236"	610.429671	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M-2H+NH4"	16.019271
"875040"	214.156071	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-2H+NH4"	16.019271
"39661"	417.248266	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M-2H+Na"	20.974666
"482875"	615.385066	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M-2H+Na"	20.974666
"861402"	219.111466	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-2H+Na"	20.974666
"1630813"	219.111466	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Na-2H"	20.974666
"105275"	215.117863	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M-H+Cl"	33.962126
"546665"	314.186263	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M-H+Cl"	33.962126
"942126"	116.049463	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-H+Cl"	33.962126
"282627"	431.243002	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+Cl"	34.969402
"675333"	629.379802	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+Cl"	34.969402
"1288260"	233.106202	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Cl"	34.969402
"31063"	433.222206	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M-2H+K"	36.948606
"470054"	631.359006	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M-2H+K"	36.948606
"847126"	235.085406	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-2H+K"	36.948606
"1569154"	235.085406	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+K-2H"	36.948606
"956671"	243.134994	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-H+HCOOH"	44.998194
"373428"	441.271801	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+HCOOH-H"	44.998201
"358768"	455.287451	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+Hac-H"	59.013851
"1500676"	257.150651	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Hac-H"	59.013851
"962749"	265.116951	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-H+NaCOOH"	66.980151
"114938"	233.106202	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+2Cl"	69.938804
"562885"	332.174602	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+2Cl"	69.938804
"1036628"	134.037802	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2Cl"	69.938804
"1253450"	277.055685	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Br"	78.918885
"1319817"	279.111672	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Cl+HCOOH"	80.974872
"1335483"	301.093629	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Cl+NaCOOH"	102.956829
"922997"	311.122386	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M-H+CF3COOH"	112.985586
"1301163"	347.099064	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Cl+CF3COOH"	148.962264
"1377500"	163.124124	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H-2H2O"	-35.012676
"1387341"	181.1341	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H-H2O"	-17.0027
"289215"	397.280876	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+H"	1.007276
"688200"	595.417676	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+H"	1.007276
"1359080"	199.144076	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H"	1.007276
"131969"	199.144076	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+2H"	2.014552
"565758"	298.212476	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+2H"	2.014552
"1037403"	100.075676	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2H"	2.014552
"216993"	133.098476	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+3H"	3.021828
"658615"	199.144076	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+3H"	3.021828
"1174674"	67.052876	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+3H"	3.021828
"428831"	414.307423	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+NH4"	18.033823
"790920"	612.444223	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+NH4"	18.033823
"1686884"	216.170623	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+NH4"	18.033823
"332611"	207.6573495	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+H+NH4"	19.041099
"727234"	306.7257495	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+H+NH4"	19.041099
"1484334"	108.5889495	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H+NH4"	19.041099
"401922"	419.262818	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+Na"	22.989218
"762916"	617.399618	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+Na"	22.989218
"1614292"	221.126018	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Na"	22.989218
"323236"	210.135047	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+H+Na"	23.996494
"715657"	309.203447	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+H+Na"	23.996494
"1472756"	111.066647	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H+Na"	23.996494
"1061626"	74.38019	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2H+Na"	25.00377
"1263306"	231.170286	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+CH3OH+H"	33.033486
"388443"	435.236758	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+K"	38.963158
"752845"	633.373558	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+K"	38.963158
"1549311"	237.099958	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+K"	38.963158
"310496"	218.122017	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+H+K"	39.970434
"704740"	317.190417	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+H+K"	39.970434
"1460384"	119.053617	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H+K"	39.970434
"248981"	438.307426	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+ACN+H"	42.033826
"1223147"	240.170626	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+ACN+H"	42.033826
"1207762"	120.588951	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+ACN+2H"	43.041102
"200265"	441.24476	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+2Na-H"	44.97116
"636907"	639.38156	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+2Na-H"	44.97116
"1142966"	243.10796	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2Na-H"	44.97116
"181516"	221.126018	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+2Na"	45.978436
"626182"	320.194418	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+2Na"	45.978436
"1124586"	122.057618	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2Na"	45.978436
"1407016"	81.707504	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H+2Na"	46.985712
"1439139"	245.149546	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H+HCOOH"	47.012746
"227742"	226.15904	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+3H2O+2H"	56.04448
"1514710"	259.20159	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+IsoProp+H"	61.06479
"416583"	229.112988	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+Na+K"	61.952376
"784024"	328.181388	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+Na+K"	61.952376
"1680233"	130.044588	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Na+K"	61.952376
"266763"	460.289368	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+ACN+Na"	64.015768
"1240317"	262.152568	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+ACN+Na"	64.015768
"1725678"	262.176093	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+NH4+HCOOH"	64.039293
"1192137"	89.034818	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+3Na"	68.967654
"1663849"	267.131488	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Na+HCOOH"	68.994688
"170710"	473.19264	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+2K-H"	76.91904
"606986"	671.32944	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+2K-H"	76.91904
"1095873"	275.05584	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2K-H"	76.91904
"152322"	237.099958	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"2M+2K"	77.926316
"592977"	336.168358	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"3M+2K"	77.926316
"1080770"	138.031558	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2K"	77.926316
"1111067"	277.070392	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2K+H"	78.933592
"1350618"	277.158007	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+DMSO+H"	79.021207
"1009422"	281.197176	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2ACN+H"	83.060376
"1531925"	282.190808	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+IsoProp+Na+H"	84.054008
"1001653"	141.102226	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+2ACN+2H"	84.067652
"1600167"	283.105428	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+K+HCOOH"	84.968628
"1429103"	313.136938	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+H+CF3COOH"	115.000138
"1158661"	161.615501	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+3ACN+2H"	125.094202
"1703838"	330.163485	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+NH4+CF3COOH"	132.026685
"1636211"	335.11888	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+Na+CF3COOH"	136.98208
"1572347"	351.09282	"C06185"	"Slaframine;(-)-Slaframine"	"C10H18N2O2"	"198.1368"	"M+K+CF3COOH"	152.95602
"809883"	272.0896	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M"	0
"983418"	253.07121	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H2O-H"	-19.01839
"71660"	180.385790666667	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-3H"	-3.021828
"513407"	271.082324	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-3H"	-3.021828
"891208"	89.6892573333333	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-3H"	-3.021828
"11970"	271.082324	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H"	-2.014552
"455385"	407.127124	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H"	-2.014552
"832018"	135.037524	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H"	-2.014552
"92487"	543.171924	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-H"	-1.007276
"532778"	815.261524	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-H"	-1.007276
"909241"	271.082324	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H"	-1.007276
"58875"	560.198471	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H+NH4"	16.019271
"494065"	832.288071	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H+NH4"	16.019271
"868589"	288.108871	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H+NH4"	16.019271
"39769"	565.153866	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H+Na"	20.974666
"481528"	837.243466	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H+Na"	20.974666
"861512"	293.064266	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H+Na"	20.974666
"1631044"	293.064266	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na-2H"	20.974666
"105385"	289.070663	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-H+Cl"	33.962126
"546046"	425.115463	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-H+Cl"	33.962126
"940293"	153.025863	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+Cl"	33.962126
"280550"	579.148602	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Cl"	34.969402
"671634"	851.238202	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+Cl"	34.969402
"1287072"	307.059002	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl"	34.969402
"28778"	581.127806	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H+K"	36.948606
"470528"	853.217406	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H+K"	36.948606
"846142"	309.038206	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H+K"	36.948606
"1567440"	309.038206	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K-2H"	36.948606
"954958"	317.087794	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+HCOOH"	44.998194
"370256"	589.177401	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+HCOOH-H"	44.998201
"354138"	603.193051	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Hac-H"	59.013851
"1504066"	331.103451	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Hac-H"	59.013851
"965046"	339.069751	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+NaCOOH"	66.980151
"115048"	307.059002	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2Cl"	69.938804
"562995"	443.103802	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2Cl"	69.938804
"1035441"	171.014202	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2Cl"	69.938804
"1254653"	351.008485	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Br"	78.918885
"1319616"	353.064472	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl+HCOOH"	80.974872
"1334600"	375.046429	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl+NaCOOH"	102.956829
"920554"	385.075186	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+CF3COOH"	112.985586
"1300544"	421.051864	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl+CF3COOH"	148.962264
"1376517"	237.076924	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H-2H2O"	-35.012676
"1387451"	255.0869	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H-H2O"	-17.0027
"288232"	545.186476	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H"	1.007276
"688311"	817.276076	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H"	1.007276
"1360283"	273.096876	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H"	1.007276
"133173"	273.096876	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2H"	2.014552
"566045"	409.141676	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2H"	2.014552
"1038247"	137.052076	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2H"	2.014552
"218923"	182.400342666667	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+3H"	3.021828
"659454"	273.096876	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+3H"	3.021828
"1173690"	91.7038093333334	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+3H"	3.021828
"430035"	562.213023	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+NH4"	18.033823
"791030"	834.302623	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+NH4"	18.033823
"1684808"	290.123423	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+NH4"	18.033823
"333085"	281.6101495	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H+NH4"	19.041099
"731719"	417.6549495	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H+NH4"	19.041099
"1487726"	145.5653495	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+NH4"	19.041099
"404220"	567.168418	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Na"	22.989218
"764119"	839.258018	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+Na"	22.989218
"1612216"	295.078818	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na"	22.989218
"326626"	284.087847	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H+Na"	23.996494
"716861"	420.132647	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H+Na"	23.996494
"1473959"	148.043047	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+Na"	23.996494
"1061736"	99.0311233333333	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2H+Na"	25.00377
"1263416"	305.123086	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+CH3OH+H"	33.033486
"391469"	583.142358	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+K"	38.963158
"751011"	855.231958	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+K"	38.963158
"1552333"	311.052758	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K"	38.963158
"306597"	292.074817	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H+K"	39.970434
"703392"	428.119617	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H+K"	39.970434
"1459035"	156.030017	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+K"	39.970434
"250430"	586.213026	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+ACN+H"	42.033826
"1224840"	314.123426	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+ACN+H"	42.033826
"1207995"	157.565351	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+ACN+2H"	43.041102
"203540"	589.15036	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2Na-H"	44.97116
"638111"	861.23996	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2Na-H"	44.97116
"1143805"	317.06076	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2Na-H"	44.97116
"181626"	295.078818	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2Na"	45.978436
"626294"	431.123618	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2Na"	45.978436
"1124696"	159.034018	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2Na"	45.978436
"1407857"	106.358437333333	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+2Na"	46.985712
"1439249"	319.102346	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+HCOOH"	47.012746
"227852"	300.11184	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+3H2O+2H"	56.04448
"1515913"	333.15439	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+IsoProp+H"	61.06479
"417786"	303.065788	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Na+K"	61.952376
"783157"	439.110588	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+Na+K"	61.952376
"1680223"	167.020988	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na+K"	61.952376
"266622"	608.194968	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+ACN+Na"	64.015768
"1240306"	336.105368	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+ACN+Na"	64.015768
"1726152"	336.128893	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+NH4+HCOOH"	64.039293
"1192730"	113.685751333333	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+3Na"	68.967654
"1662864"	341.084288	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na+HCOOH"	68.994688
"170942"	621.09824	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2K-H"	76.91904
"607825"	893.18784	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2K-H"	76.91904
"1095618"	349.00864	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2K-H"	76.91904
"152797"	311.052758	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2K"	77.926316
"594910"	447.097558	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2K"	77.926316
"1082702"	175.007958	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2K"	77.926316
"1111177"	351.023192	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2K+H"	78.933592
"1350370"	351.110807	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+DMSO+H"	79.021207
"1011720"	355.149976	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2ACN+H"	83.060376
"1533130"	356.143608	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+IsoProp+Na+H"	84.054008
"998483"	178.078626	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2ACN+2H"	84.067652
"1601734"	357.058228	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K+HCOOH"	84.968628
"1428483"	387.089738	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+CF3COOH"	115.000138
"1159864"	198.591901	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+3ACN+2H"	125.094202
"1702855"	404.116285	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+NH4+CF3COOH"	132.026685
"1635955"	409.07168	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na+CF3COOH"	136.98208
"1572332"	425.04562	"C06186"	"Arbutin;Ursin;Uvasol;Hydroquinone-O-beta-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K+CF3COOH"	152.95602
"813273"	352.0559	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M"	0
"983528"	333.03751	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-H2O-H"	-19.01839
"75051"	233.696657333333	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M-3H"	-3.021828
"516435"	351.048624	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M-3H"	-3.021828
"895609"	116.344690666667	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-3H"	-3.021828
"14758"	351.048624	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M-2H"	-2.014552
"455051"	527.076574	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M-2H"	-2.014552
"832409"	175.020674	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-2H"	-2.014552
"92598"	703.104524	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M-H"	-1.007276
"533253"	1055.160424	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M-H"	-1.007276
"909597"	351.048624	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-H"	-1.007276
"57528"	720.131071	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M-2H+NH4"	16.019271
"497090"	1072.186971	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M-2H+NH4"	16.019271
"875258"	368.075171	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-2H+NH4"	16.019271
"43159"	725.086466	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M-2H+Na"	20.974666
"481274"	1077.142366	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M-2H+Na"	20.974666
"862353"	373.030566	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-2H+Na"	20.974666
"1631888"	373.030566	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Na-2H"	20.974666
"108535"	369.036963	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M-H+Cl"	33.962126
"547982"	545.064913	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M-H+Cl"	33.962126
"940763"	193.009013	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-H+Cl"	33.962126
"280661"	739.081202	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+Cl"	34.969402
"673690"	1091.137102	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+Cl"	34.969402
"1285238"	387.025302	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Cl"	34.969402
"30108"	741.060406	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M-2H+K"	36.948606
"470762"	1093.116306	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M-2H+K"	36.948606
"846618"	389.004506	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-2H+K"	36.948606
"1567550"	389.004506	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+K-2H"	36.948606
"955068"	397.054094	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-H+HCOOH"	44.998194
"370366"	749.110001	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+HCOOH-H"	44.998201
"355341"	763.125651	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+Hac-H"	59.013851
"1503812"	411.069751	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Hac-H"	59.013851
"966249"	419.036051	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-H+NaCOOH"	66.980151
"115158"	387.025302	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+2Cl"	69.938804
"563470"	563.053252	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+2Cl"	69.938804
"1035187"	210.997352	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2Cl"	69.938804
"1254763"	430.974785	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Br"	78.918885
"1319038"	433.030772	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Cl+HCOOH"	80.974872
"1334346"	455.012729	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Cl+NaCOOH"	102.956829
"925041"	465.041486	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M-H+CF3COOH"	112.985586
"1302843"	501.018164	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Cl+CF3COOH"	148.962264
"1378814"	317.043224	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H-2H2O"	-35.012676
"1390841"	335.0532	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H-H2O"	-17.0027
"294903"	705.119076	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+H"	1.007276
"686235"	1057.174976	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+H"	1.007276
"1356021"	353.063176	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H"	1.007276
"131096"	353.063176	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+2H"	2.014552
"569561"	529.091126	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+2H"	2.014552
"1041640"	177.035226	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2H"	2.014552
"217210"	235.711209333333	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+3H"	3.021828
"652394"	353.063176	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+3H"	3.021828
"1169789"	118.359242666667	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+3H"	3.021828
"430145"	722.145623	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+NH4"	18.033823
"788588"	1074.201523	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+NH4"	18.033823
"1683096"	370.089723	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+NH4"	18.033823
"331738"	361.5764495	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+H+NH4"	19.041099
"727454"	537.6043995	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+H+NH4"	19.041099
"1486744"	185.5484995	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H+NH4"	19.041099
"405061"	727.101018	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+Na"	22.989218
"767509"	1079.156918	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+Na"	22.989218
"1614514"	375.045118	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Na"	22.989218
"325646"	364.054147	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+H+Na"	23.996494
"716972"	540.082097	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+H+Na"	23.996494
"1476256"	188.026197	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H+Na"	23.996494
"1066951"	125.686556666667	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2H+Na"	25.00377
"1265712"	385.089386	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+CH3OH+H"	33.033486
"388663"	743.074958	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+K"	38.963158
"751486"	1095.130858	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+K"	38.963158
"1551717"	391.019058	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+K"	38.963158
"310717"	372.041117	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+H+K"	39.970434
"704961"	548.069067	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+H+K"	39.970434
"1459145"	196.013167	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H+K"	39.970434
"249203"	746.145626	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+ACN+H"	42.033826
"1223733"	394.089726	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+ACN+H"	42.033826
"1208955"	197.548501	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+ACN+2H"	43.041102
"201215"	749.08296	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+2Na-H"	44.97116
"638221"	1101.13886	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+2Na-H"	44.97116
"1143915"	397.02706	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2Na-H"	44.97116
"178456"	375.045118	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+2Na"	45.978436
"624580"	551.073068	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+2Na"	45.978436
"1120798"	199.017168	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2Na"	45.978436
"1403957"	133.013870666667	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H+2Na"	46.985712
"1440453"	399.068646	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H+HCOOH"	47.012746
"227962"	380.07814	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+3H2O+2H"	56.04448
"1516023"	413.12069	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+IsoProp+H"	61.06479
"417896"	383.032088	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+Na+K"	61.952376
"782174"	559.060038	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+Na+K"	61.952376
"1678994"	207.004138	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Na+K"	61.952376
"266124"	768.127568	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+ACN+Na"	64.015768
"1240294"	416.071668	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+ACN+Na"	64.015768
"1726626"	416.095193	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+NH4+HCOOH"	64.039293
"1190896"	140.341184666667	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+3Na"	68.967654
"1659691"	421.050588	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Na+HCOOH"	68.994688
"166189"	781.03084	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+2K-H"	76.91904
"606113"	1133.08674	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+2K-H"	76.91904
"1095728"	428.97494	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2K-H"	76.91904
"153272"	391.019058	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"2M+2K"	77.926316
"594656"	567.047008	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"3M+2K"	77.926316
"1078437"	214.991108	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2K"	77.926316
"1110920"	430.989492	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2K+H"	78.933592
"1350846"	431.077107	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+DMSO+H"	79.021207
"1015114"	435.116276	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2ACN+H"	83.060376
"1533239"	436.109908	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+IsoProp+Na+H"	84.054008
"1001872"	218.061776	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+2ACN+2H"	84.067652
"1596377"	437.024528	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+K+HCOOH"	84.968628
"1428594"	467.056038	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+H+CF3COOH"	115.000138
"1158880"	238.575051	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+3ACN+2H"	125.094202
"1706245"	484.082585	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+NH4+CF3COOH"	132.026685
"1636428"	489.03798	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+Na+CF3COOH"	136.98208
"1574269"	505.01192	"C06187"	"Arbutin 6-phosphate;Arbutin-6P"	"C12H17O10P"	"352.0559"	"M+K+CF3COOH"	152.95602
"810103"	366.0716	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M"	0
"980358"	347.05321	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-H2O-H"	-19.01839
"72974"	243.040457333333	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M-3H"	-3.021828
"516909"	365.064324	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M-3H"	-3.021828
"895240"	121.016590666667	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-3H"	-3.021828
"15191"	365.064324	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M-2H"	-2.014552
"455162"	548.100124	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M-2H"	-2.014552
"832115"	182.028524	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-2H"	-2.014552
"91369"	731.135924	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M-H"	-1.007276
"532751"	1097.207524	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M-H"	-1.007276
"909461"	365.064324	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-H"	-1.007276
"58002"	748.162471	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M-2H+NH4"	16.019271
"497200"	1114.234071	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M-2H+NH4"	16.019271
"877555"	382.090871	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-2H+NH4"	16.019271
"39989"	753.117866	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M-2H+Na"	20.974666
"485026"	1119.189466	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M-2H+Na"	20.974666
"860639"	387.046266	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-2H+Na"	20.974666
"1631266"	387.046266	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Na-2H"	20.974666
"107794"	383.052663	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M-H+Cl"	33.962126
"548092"	566.088463	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M-H+Cl"	33.962126
"941602"	200.016863	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-H+Cl"	33.962126
"282466"	767.112602	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+Cl"	34.969402
"675497"	1133.184202	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+Cl"	34.969402
"1287289"	401.041002	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Cl"	34.969402
"24622"	769.091806	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M-2H+K"	36.948606
"468557"	1135.163406	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M-2H+K"	36.948606
"848184"	403.020206	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-2H+K"	36.948606
"1569484"	403.020206	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+K-2H"	36.948606
"954447"	411.069794	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-H+HCOOH"	44.998194
"371566"	777.141401	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+HCOOH-H"	44.998201
"352171"	791.157051	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+Hac-H"	59.013851
"1504286"	425.085451	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Hac-H"	59.013851
"966359"	433.051751	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-H+NaCOOH"	66.980151
"115268"	401.041002	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+2Cl"	69.938804
"563216"	584.076802	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+2Cl"	69.938804
"1035297"	218.005202	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2Cl"	69.938804
"1256332"	444.990485	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Br"	78.918885
"1317687"	447.046472	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Cl+HCOOH"	80.974872
"1334092"	469.028429	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Cl+NaCOOH"	102.956829
"927036"	479.057186	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M-H+CF3COOH"	112.985586
"1302588"	515.033864	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Cl+CF3COOH"	148.962264
"1380747"	331.058924	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H-2H2O"	-35.012676
"1393138"	349.0689	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H-H2O"	-17.0027
"293920"	733.150476	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+H"	1.007276
"686345"	1099.222076	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+H"	1.007276
"1355038"	367.078876	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H"	1.007276
"130113"	367.078876	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+2H"	2.014552
"571860"	550.114676	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+2H"	2.014552
"1041751"	184.043076	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2H"	2.014552
"214041"	245.055009333333	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+3H"	3.021828
"654691"	367.078876	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+3H"	3.021828
"1168806"	123.031142666667	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+3H"	3.021828
"433171"	750.177023	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+NH4"	18.033823
"790155"	1116.248623	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+NH4"	18.033823
"1682475"	384.105423	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+NH4"	18.033823
"332212"	375.5921495	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+H+NH4"	19.041099
"730846"	558.6279495	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+H+NH4"	19.041099
"1486856"	192.5563495	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H+NH4"	19.041099
"403349"	755.132418	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+Na"	22.989218
"764340"	1121.204018	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+Na"	22.989218
"1614625"	389.060818	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Na"	22.989218
"325756"	378.069847	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+H+Na"	23.996494
"718176"	561.105647	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+H+Na"	23.996494
"1471994"	195.034047	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H+Na"	23.996494
"1063053"	130.358456666667	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2H+Na"	25.00377
"1263635"	399.105086	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+CH3OH+H"	33.033486
"386588"	771.106358	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+K"	38.963158
"747586"	1137.177958	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+K"	38.963158
"1549638"	405.034758	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+K"	38.963158
"310098"	386.056817	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+H+K"	39.970434
"706529"	569.092617	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+H+K"	39.970434
"1459256"	203.021017	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H+K"	39.970434
"248219"	774.177026	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+ACN+H"	42.033826
"1222020"	408.105426	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+ACN+H"	42.033826
"1206633"	204.556351	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+ACN+2H"	43.041102
"201325"	777.11436	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+2Na-H"	44.97116
"633958"	1143.18596	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+2Na-H"	44.97116
"1142932"	411.04276	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2Na-H"	44.97116
"179659"	389.060818	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+2Na"	45.978436
"622503"	572.096618	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+2Na"	45.978436
"1119448"	206.025018	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2Na"	45.978436
"1401879"	137.685770666667	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H+2Na"	46.985712
"1439470"	413.084346	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H+HCOOH"	47.012746
"228072"	394.09384	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+3H2O+2H"	56.04448
"1513946"	427.13639	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+IsoProp+H"	61.06479
"413633"	397.047788	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+Na+K"	61.952376
"781191"	580.083588	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+Na+K"	61.952376
"1678253"	214.011988	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Na+K"	61.952376
"266720"	796.158968	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+ACN+Na"	64.015768
"1240766"	430.087368	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+ACN+Na"	64.015768
"1726370"	430.110893	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+NH4+HCOOH"	64.039293
"1193679"	145.013084666667	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+3Na"	68.967654
"1658708"	435.066288	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Na+HCOOH"	68.994688
"166663"	809.06224	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+2K-H"	76.91904
"605130"	1175.13384	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+2K-H"	76.91904
"1095109"	442.99064	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2K-H"	76.91904
"153017"	405.034758	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"2M+2K"	77.926316
"594401"	588.070558	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"3M+2K"	77.926316
"1077089"	221.998958	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2K"	77.926316
"1111394"	445.005192	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2K+H"	78.933592
"1351200"	445.092807	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+DMSO+H"	79.021207
"1016317"	449.131976	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2ACN+H"	83.060376
"1531161"	450.125608	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+IsoProp+Na+H"	84.054008
"1003076"	225.069626	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+2ACN+2H"	84.067652
"1596487"	451.040228	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+K+HCOOH"	84.968628
"1427613"	481.071738	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+H+CF3COOH"	115.000138
"1156804"	245.582901	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+3ACN+2H"	125.094202
"1705262"	498.098285	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+NH4+CF3COOH"	132.026685
"1636538"	503.05368	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+Na+CF3COOH"	136.98208
"1574379"	519.02762	"C06188"	"Salicin 6-phosphate;Salicin-6P"	"C13H19O10P"	"366.0716"	"M+K+CF3COOH"	152.95602
"810213"	247.9487	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M"	0
"987030"	228.93031	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-H2O-H"	-19.01839
"76364"	164.291857333333	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M-3H"	-3.021828
"517018"	246.941424	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M-3H"	-3.021828
"893727"	81.6422906666667	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-3H"	-3.021828
"15519"	246.941424	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M-2H"	-2.014552
"455400"	370.915774	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M-2H"	-2.014552
"832345"	122.967074	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-2H"	-2.014552
"94204"	494.890124	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M-H"	-1.007276
"534042"	742.838824	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M-H"	-1.007276
"904837"	246.941424	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-H"	-1.007276
"51555"	511.916671	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M-2H+NH4"	16.019271
"492210"	759.865371	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M-2H+NH4"	16.019271
"867827"	263.967971	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-2H+NH4"	16.019271
"34998"	516.872066	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M-2H+Na"	20.974666
"485132"	764.820766	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M-2H+Na"	20.974666
"861848"	268.923366	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-2H+Na"	20.974666
"1633083"	268.923366	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Na-2H"	20.974666
"109004"	264.929763	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M-H+Cl"	33.962126
"548564"	388.904113	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M-H+Cl"	33.962126
"942078"	140.955413	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-H+Cl"	33.962126
"282095"	530.866802	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+Cl"	34.969402
"673782"	778.815502	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+Cl"	34.969402
"1288408"	282.918102	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Cl"	34.969402
"31093"	532.846006	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M-2H+K"	36.948606
"469762"	780.794706	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M-2H+K"	36.948606
"848423"	284.897306	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-2H+K"	36.948606
"1565582"	284.897306	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+K-2H"	36.948606
"950185"	292.946894	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-H+HCOOH"	44.998194
"372774"	540.895601	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+HCOOH-H"	44.998201
"356658"	554.911251	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+Hac-H"	59.013851
"1508051"	306.962551	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Hac-H"	59.013851
"968658"	314.928851	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-H+NaCOOH"	66.980151
"124623"	282.918102	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+2Cl"	69.938804
"565656"	406.892452	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+2Cl"	69.938804
"1037031"	158.943752	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2Cl"	69.938804
"1256691"	326.867585	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Br"	78.918885
"1319871"	328.923572	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Cl+HCOOH"	80.974872
"1335426"	350.905529	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Cl+NaCOOH"	102.956829
"926929"	360.934286	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M-H+CF3COOH"	112.985586
"1303794"	396.910964	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Cl+CF3COOH"	148.962264
"1382655"	212.936024	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H-2H2O"	-35.012676
"1396534"	230.946	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H-H2O"	-17.0027
"298047"	496.904676	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+H"	1.007276
"688641"	744.853376	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+H"	1.007276
"1366811"	248.955976	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H"	1.007276
"141302"	248.955976	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+2H"	2.014552
"573064"	372.930326	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+2H"	2.014552
"1049521"	124.981626	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2H"	2.014552
"213052"	166.306409333333	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+3H"	3.021828
"654801"	248.955976	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+3H"	3.021828
"1171832"	83.6568426666667	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+3H"	3.021828
"434013"	513.931223	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+NH4"	18.033823
"795008"	761.879923	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+NH4"	18.033823
"1689152"	265.982523	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+NH4"	18.033823
"344002"	257.4692495	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+H+NH4"	19.041099
"728770"	381.4435995	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+H+NH4"	19.041099
"1488058"	133.4948995	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H+NH4"	19.041099
"407590"	518.886618	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+Na"	22.989218
"764452"	766.835318	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+Na"	22.989218
"1614738"	270.937918	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Na"	22.989218
"325868"	259.946947	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+H+Na"	23.996494
"717193"	383.921297	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+H+Na"	23.996494
"1475388"	135.972597	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H+Na"	23.996494
"1066443"	90.9841566666667	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2H+Na"	25.00377
"1268852"	280.982186	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+CH3OH+H"	33.033486
"389982"	534.860558	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+K"	38.963158
"751347"	782.809258	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+K"	38.963158
"1554733"	286.911858	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+K"	38.963158
"314144"	267.933917	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+H+K"	39.970434
"706276"	391.908267	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+H+K"	39.970434
"1461305"	143.959567	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H+K"	39.970434
"251400"	537.931226	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+ACN+H"	42.033826
"1225592"	289.982526	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+ACN+H"	42.033826
"1209866"	145.494901	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+ACN+2H"	43.041102
"201440"	540.86856	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+2Na-H"	44.97116
"641361"	788.81726	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+2Na-H"	44.97116
"1143044"	292.91986	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2Na-H"	44.97116
"181958"	270.937918	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+2Na"	45.978436
"623345"	394.912268	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+2Na"	45.978436
"1120655"	146.963568	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2Na"	45.978436
"1408554"	98.3114706666667	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H+2Na"	46.985712
"1443589"	294.961446	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H+HCOOH"	47.012746
"232557"	275.97094	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+3H2O+2H"	56.04448
"1518432"	309.01349	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+IsoProp+H"	61.06479
"414836"	278.924888	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+Na+K"	61.952376
"781301"	402.899238	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+Na+K"	61.952376
"1679818"	154.950538	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Na+K"	61.952376
"264152"	559.913168	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+ACN+Na"	64.015768
"1241001"	311.964468	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+ACN+Na"	64.015768
"1727210"	311.987993	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+NH4+HCOOH"	64.039293
"1193877"	105.638784666667	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+3Na"	68.967654
"1658818"	316.943388	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Na+HCOOH"	68.994688
"166773"	572.81644	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+2K-H"	76.91904
"608520"	820.76514	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+2K-H"	76.91904
"1095219"	324.86774	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2K-H"	76.91904
"152763"	286.911858	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"2M+2K"	77.926316
"593783"	410.886208	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"3M+2K"	77.926316
"1078658"	162.937508	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2K"	77.926316
"1110411"	326.882292	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2K+H"	78.933592
"1350947"	326.969907	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+DMSO+H"	79.021207
"1019708"	331.009076	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2ACN+H"	83.060376
"1534551"	332.002708	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+IsoProp+Na+H"	84.054008
"1002092"	166.008176	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+2ACN+2H"	84.067652
"1594410"	332.917328	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+K+HCOOH"	84.968628
"1428453"	362.948838	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+H+CF3COOH"	115.000138
"1160198"	186.521451	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+3ACN+2H"	125.094202
"1710840"	379.975385	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+NH4+CF3COOH"	132.026685
"1645396"	384.93078	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+Na+CF3COOH"	136.98208
"1571937"	400.90472	"C06189"	"Cyclic 23-bisphospho-D-glycerate;Cyclic 23-diphospho-D-glycerate;Cyclic glycerate-23P2;cDPG"	"C3H6O9P2"	"247.9487"	"M+K+CF3COOH"	152.95602
"810323"	589.0822	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M"	0
"979485"	570.06381	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-H2O-H"	-19.01839
"73192"	391.714190666667	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M-3H"	-3.021828
"510566"	588.074924	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M-3H"	-3.021828
"891650"	195.353457333333	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-3H"	-3.021828
"13869"	588.074924	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M-2H"	-2.014552
"451244"	882.616024	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M-2H"	-2.014552
"832455"	293.533824	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-2H"	-2.014552
"93172"	1177.157124	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M-H"	-1.007276
"533707"	1766.239324	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M-H"	-1.007276
"909078"	588.074924	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-H"	-1.007276
"53853"	1194.183671	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+NH4"	16.019271
"494507"	1783.265871	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+NH4"	16.019271
"870124"	605.101471	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-2H+NH4"	16.019271
"35837"	1199.139066	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+Na"	20.974666
"483785"	1788.221266	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+Na"	20.974666
"863050"	610.056866	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-2H+Na"	20.974666
"1632585"	610.056866	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Na-2H"	20.974666
"104741"	606.063263	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M-H+Cl"	33.962126
"548672"	900.604363	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M-H+Cl"	33.962126
"942186"	311.522163	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-H+Cl"	33.962126
"282444"	1213.133802	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+Cl"	34.969402
"673892"	1802.216002	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+Cl"	34.969402
"1288242"	624.051602	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Cl"	34.969402
"30999"	1215.113006	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M-2H+K"	36.948606
"470235"	1804.195206	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M-2H+K"	36.948606
"846579"	626.030806	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-2H+K"	36.948606
"1562412"	626.030806	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+K-2H"	36.948606
"952481"	634.080394	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-H+HCOOH"	44.998194
"369603"	1223.162601	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+HCOOH-H"	44.998201
"357861"	1237.178251	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+Hac-H"	59.013851
"1500133"	648.096051	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Hac-H"	59.013851
"963299"	656.062351	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-H+NaCOOH"	66.980151
"123517"	624.051602	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+2Cl"	69.938804
"564898"	918.592702	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+2Cl"	69.938804
"1035886"	329.510502	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2Cl"	69.938804
"1256190"	668.001085	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Br"	78.918885
"1319778"	670.057072	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+HCOOH"	80.974872
"1333583"	692.039029	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+NaCOOH"	102.956829
"925613"	702.067786	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M-H+CF3COOH"	112.985586
"1295517"	738.044464	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Cl+CF3COOH"	148.962264
"1378053"	554.069524	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H-2H2O"	-35.012676
"1390083"	572.0795	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H-H2O"	-17.0027
"291956"	1179.171676	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+H"	1.007276
"680002"	1768.253876	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+H"	1.007276
"1355258"	590.089476	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H"	1.007276
"129239"	590.089476	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+2H"	2.014552
"569889"	884.630576	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+2H"	2.014552
"1046350"	295.548376	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2H"	2.014552
"213164"	393.728742666667	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+3H"	3.021828
"653818"	590.089476	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+3H"	3.021828
"1170849"	197.368009333333	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+3H"	3.021828
"434123"	1196.198223	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+NH4"	18.033823
"794024"	1785.280423	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+NH4"	18.033823
"1690355"	607.116023	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+NH4"	18.033823
"341925"	598.6027495	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+H+NH4"	19.041099
"731068"	893.1438495	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+H+NH4"	19.041099
"1485981"	304.0616495	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H+NH4"	19.041099
"403567"	1201.153618	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+Na"	22.989218
"761283"	1790.235818	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+Na"	22.989218
"1611568"	612.071418	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Na"	22.989218
"323792"	601.080447	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+H+Na"	23.996494
"715116"	895.621547	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+H+Na"	23.996494
"1471124"	306.539347	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H+Na"	23.996494
"1065096"	204.695323333333	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2H+Na"	25.00377
"1267138"	622.115686	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+CH3OH+H"	33.033486
"387176"	1217.127558	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+K"	38.963158
"749996"	1806.209758	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+K"	38.963158
"1552049"	628.045358	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+K"	38.963158
"311413"	609.067417	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+H+K"	39.970434
"706508"	903.608517	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+H+K"	39.970434
"1458383"	314.526317	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H+K"	39.970434
"247714"	1220.198226	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+H"	42.033826
"1223339"	631.116026	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+H"	42.033826
"1208680"	316.061651	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+2H"	43.041102
"202278"	1223.13556	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na-H"	44.97116
"638553"	1812.21776	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na-H"	44.97116
"1139874"	634.05336	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2Na-H"	44.97116
"178787"	612.071418	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+2Na"	45.978436
"618349"	906.612518	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+2Na"	45.978436
"1120763"	317.530318	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2Na"	45.978436
"1407571"	212.022637333333	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H+2Na"	46.985712
"1436407"	636.094946	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H+HCOOH"	47.012746
"231208"	617.10444	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+3H2O+2H"	56.04448
"1515260"	650.14699	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+H"	61.06479
"413852"	620.058388	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+Na+K"	61.952376
"782504"	914.599488	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+Na+K"	61.952376
"1680659"	325.517288	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Na+K"	61.952376
"264992"	1242.180168	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+ACN+Na"	64.015768
"1241292"	653.097968	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+ACN+Na"	64.015768
"1727684"	653.121493	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+HCOOH"	64.039293
"1194027"	219.349951333333	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+3Na"	68.967654
"1658928"	658.076888	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Na+HCOOH"	68.994688
"165790"	1255.08344	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+2K-H"	76.91904
"605347"	1844.16564	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+2K-H"	76.91904
"1094233"	666.00124	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2K-H"	76.91904
"152870"	628.045358	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"2M+2K"	77.926316
"590607"	922.586458	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"3M+2K"	77.926316
"1078403"	333.504258	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2K"	77.926316
"1109428"	668.015792	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2K+H"	78.933592
"1351063"	668.103407	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+DMSO+H"	79.021207
"1018724"	672.142576	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+H"	83.060376
"1534662"	673.136208	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+IsoProp+Na+H"	84.054008
"1003294"	336.574926	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+2ACN+2H"	84.067652
"1597799"	674.050828	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+K+HCOOH"	84.968628
"1429171"	704.082338	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+H+CF3COOH"	115.000138
"1161401"	357.088201	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+3ACN+2H"	125.094202
"1712044"	721.108885	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+NH4+CF3COOH"	132.026685
"1645506"	726.06428	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+Na+CF3COOH"	136.98208
"1572044"	742.03822	"C06192"	"ADP-mannose;APD-D-mannose"	"C16H25N5O15P2"	"589.0822"	"M+K+CF3COOH"	152.95602
"810433"	363.058	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M"	0
"977408"	344.03961	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-H2O-H"	-19.01839
"73302"	241.031390666667	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M-3H"	-3.021828
"511769"	362.050724	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M-3H"	-3.021828
"894312"	120.012057333333	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-3H"	-3.021828
"12520"	362.050724	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M-2H"	-2.014552
"449895"	543.579724	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M-2H"	-2.014552
"832446"	180.521724	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-2H"	-2.014552
"93770"	725.108724	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M-H"	-1.007276
"532115"	1088.166724	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M-H"	-1.007276
"909068"	362.050724	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-H"	-1.007276
"56150"	742.135271	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M-2H+NH4"	16.019271
"498991"	1105.193271	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M-2H+NH4"	16.019271
"869505"	379.077271	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-2H+NH4"	16.019271
"37041"	747.090666	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M-2H+Na"	20.974666
"480979"	1110.148666	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M-2H+Na"	20.974666
"862431"	384.032666	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-2H+Na"	20.974666
"1631237"	384.032666	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Na-2H"	20.974666
"105942"	380.039063	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M-H+Cl"	33.962126
"547690"	561.568063	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M-H+Cl"	33.962126
"941201"	198.510063	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-H+Cl"	33.962126
"278664"	761.085402	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+Cl"	34.969402
"672179"	1124.143402	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+Cl"	34.969402
"1284581"	398.027402	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Cl"	34.969402
"28232"	763.064606	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M-2H+K"	36.948606
"468521"	1126.122606	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M-2H+K"	36.948606
"845230"	400.006606	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-2H+K"	36.948606
"1563615"	400.006606	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+K-2H"	36.948606
"949311"	408.056194	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-H+HCOOH"	44.998194
"365340"	771.114201	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+HCOOH-H"	44.998201
"356878"	785.129851	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+Hac-H"	59.013851
"1499149"	422.071851	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Hac-H"	59.013851
"964502"	430.038151	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-H+NaCOOH"	66.980151
"124963"	398.027402	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+2Cl"	69.938804
"564644"	579.556402	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+2Cl"	69.938804
"1035631"	216.498402	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2Cl"	69.938804
"1255936"	441.976885	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Br"	78.918885
"1318388"	444.032872	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Cl+HCOOH"	80.974872
"1334057"	466.014829	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Cl+NaCOOH"	102.956829
"925723"	476.043586	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M-H+CF3COOH"	112.985586
"1295627"	512.020264	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Cl+CF3COOH"	148.962264
"1377069"	328.045324	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H-2H2O"	-35.012676
"1390193"	346.0553	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H-H2O"	-17.0027
"292066"	727.123276	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+H"	1.007276
"678289"	1090.181276	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+H"	1.007276
"1356460"	364.065276	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H"	1.007276
"132627"	364.065276	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+2H"	2.014552
"569999"	545.594276	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+2H"	2.014552
"1046460"	182.536276	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2H"	2.014552
"213273"	243.045942666667	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+3H"	3.021828
"651738"	364.065276	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+3H"	3.021828
"1170956"	122.026609333333	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+3H"	3.021828
"429856"	744.149823	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+NH4"	18.033823
"789758"	1107.207823	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+NH4"	18.033823
"1687183"	381.091823	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+NH4"	18.033823
"342028"	372.5785495	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+H+NH4"	19.041099
"736275"	554.1075495	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+H+NH4"	19.041099
"1488273"	191.0495495	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H+NH4"	19.041099
"405501"	749.105218	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+Na"	22.989218
"764670"	1112.163218	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+Na"	22.989218
"1614958"	386.047218	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Na"	22.989218
"322808"	375.056247	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+H+Na"	23.996494
"715227"	556.585247	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+H+Na"	23.996494
"1473422"	193.527247	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H+Na"	23.996494
"1065935"	129.353923333333	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2H+Na"	25.00377
"1268341"	396.091486	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+CH3OH+H"	33.033486
"387285"	765.079158	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+K"	38.963158
"750107"	1128.137158	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+K"	38.963158
"1553374"	402.021158	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+K"	38.963158
"313469"	383.043217	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+H+K"	39.970434
"706011"	564.572217	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+H+K"	39.970434
"1459466"	201.514217	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H+K"	39.970434
"248553"	768.149826	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+ACN+H"	42.033826
"1223449"	405.091826	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+ACN+H"	42.033826
"1207697"	203.049551	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+ACN+2H"	43.041102
"203118"	771.08716	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+2Na-H"	44.97116
"638663"	1134.14516	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+2Na-H"	44.97116
"1139984"	408.02916	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2Na-H"	44.97116
"178897"	386.047218	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+2Na"	45.978436
"618459"	567.576218	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+2Na"	45.978436
"1120872"	204.518218	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2Na"	45.978436
"1407681"	136.681237333333	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H+2Na"	46.985712
"1438703"	410.070746	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H+HCOOH"	47.012746
"231318"	391.08024	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+3H2O+2H"	56.04448
"1515370"	424.12279	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+IsoProp+H"	61.06479
"413962"	394.034188	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+Na+K"	61.952376
"781886"	575.563188	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+Na+K"	61.952376
"1680405"	212.505188	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Na+K"	61.952376
"264010"	790.131768	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+ACN+Na"	64.015768
"1239639"	427.073768	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+ACN+Na"	64.015768
"1726702"	427.097293	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+NH4+HCOOH"	64.039293
"1193036"	144.008551333333	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+3Na"	68.967654
"1659768"	432.052688	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Na+HCOOH"	68.994688
"166629"	803.03504	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+2K-H"	76.91904
"605822"	1166.09304	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+2K-H"	76.91904
"1092886"	439.97704	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2K-H"	76.91904
"151159"	402.021158	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"2M+2K"	77.926316
"586342"	583.550158	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"3M+2K"	77.926316
"1079971"	220.492158	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2K"	77.926316
"1109535"	441.991592	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2K+H"	78.933592
"1350911"	442.079207	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+DMSO+H"	79.021207
"1020900"	446.118376	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2ACN+H"	83.060376
"1536960"	447.112008	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+IsoProp+Na+H"	84.054008
"1004256"	223.562826	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+2ACN+2H"	84.067652
"1598638"	448.026628	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+K+HCOOH"	84.968628
"1429038"	478.058138	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+H+CF3COOH"	115.000138
"1161511"	244.076101	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+3ACN+2H"	125.094202
"1711060"	495.084685	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+NH4+CF3COOH"	132.026685
"1645616"	500.04008	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+Na+CF3COOH"	136.98208
"1572522"	516.01402	"C06193"	"Guanosine 3-phosphate;3-GMP;3-Guanylic acid;Guo-3-P;Gp"	"C10H14N5O8P"	"363.058"	"M+K+CF3COOH"	152.95602
"805079"	345.0474	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M"	0
"976785"	326.02901	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-H2O-H"	-19.01839
"66853"	229.024324	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M-3H"	-3.021828
"510787"	344.040124	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M-3H"	-3.021828
"884215"	114.008524	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-3H"	-3.021828
"6071"	344.040124	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M-2H"	-2.014552
"446725"	516.563824	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M-2H"	-2.014552
"828903"	171.516424	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-2H"	-2.014552
"93025"	689.087524	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M-H"	-1.007276
"531621"	1034.134924	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M-H"	-1.007276
"908934"	344.040124	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-H"	-1.007276
"57354"	706.114071	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+NH4"	16.019271
"499103"	1051.161471	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+NH4"	16.019271
"867792"	361.066671	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-2H+NH4"	16.019271
"38244"	711.069466	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+Na"	20.974666
"481089"	1056.116866	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+Na"	20.974666
"858899"	366.022066	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-2H+Na"	20.974666
"1632440"	366.022066	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Na-2H"	20.974666
"106052"	362.028463	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M-H+Cl"	33.962126
"545247"	534.552163	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M-H+Cl"	33.962126
"939127"	189.504763	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-H+Cl"	33.962126
"281331"	725.064202	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+Cl"	34.969402
"670102"	1070.111602	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+Cl"	34.969402
"1287126"	380.016802	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Cl"	34.969402
"26154"	727.043406	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+K"	36.948606
"468998"	1072.090806	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+K"	36.948606
"846799"	381.996006	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-2H+K"	36.948606
"1567005"	381.996006	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+K-2H"	36.948606
"949421"	390.045594	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-H+HCOOH"	44.998194
"374564"	735.093001	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+HCOOH-H"	44.998201
"358082"	749.108651	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+Hac-H"	59.013851
"1501445"	404.061251	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Hac-H"	59.013851
"964612"	412.027551	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-H+NaCOOH"	66.980151
"121183"	380.016802	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+2Cl"	69.938804
"560747"	552.540502	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+2Cl"	69.938804
"1030640"	207.493102	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2Cl"	69.938804
"1252405"	423.966285	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Br"	78.918885
"1318374"	426.022272	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+HCOOH"	80.974872
"1333926"	448.004229	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+NaCOOH"	102.956829
"925104"	458.032986	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M-H+CF3COOH"	112.985586
"1299018"	494.009664	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+CF3COOH"	148.962264
"1376086"	310.034724	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H-2H2O"	-35.012676
"1393584"	328.0447	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H-H2O"	-17.0027
"295457"	691.102076	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+H"	1.007276
"679130"	1036.149476	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+H"	1.007276
"1357663"	346.054676	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H"	1.007276
"131644"	346.054676	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+2H"	2.014552
"568650"	518.578376	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+2H"	2.014552
"1046570"	173.530976	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2H"	2.014552
"212290"	231.038876	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+3H"	3.021828
"652945"	346.054676	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+3H"	3.021828
"1171069"	116.023076	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+3H"	3.021828
"431061"	708.128623	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+NH4"	18.033823
"793153"	1053.176023	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+NH4"	18.033823
"1691668"	363.081223	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+NH4"	18.033823
"339952"	354.5679495	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+H+NH4"	19.041099
"736387"	527.0916495	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+H+NH4"	19.041099
"1488383"	182.0442495	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H+NH4"	19.041099
"406705"	713.084018	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+Na"	22.989218
"762593"	1058.131418	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+Na"	22.989218
"1612882"	368.036618	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Na"	22.989218
"322916"	357.045647	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+H+Na"	23.996494
"720437"	529.569347	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+H+Na"	23.996494
"1472434"	184.521947	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H+Na"	23.996494
"1064227"	123.35039	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2H+Na"	25.00377
"1267730"	378.080886	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+CH3OH+H"	33.033486
"387764"	729.057958	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+K"	38.963158
"750582"	1074.105358	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+K"	38.963158
"1552634"	384.010558	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+K"	38.963158
"313700"	365.032617	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+H+K"	39.970434
"702232"	537.556317	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+H+K"	39.970434
"1458605"	192.508917	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H+K"	39.970434
"247571"	732.128626	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+ACN+H"	42.033826
"1223559"	387.081226	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+H"	42.033826
"1208050"	194.044251	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+2H"	43.041102
"201403"	735.06596	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+2Na-H"	44.97116
"643846"	1080.11336	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+2Na-H"	44.97116
"1140094"	390.01856	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2Na-H"	44.97116
"186544"	368.036618	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+2Na"	45.978436
"620757"	540.560318	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+2Na"	45.978436
"1120982"	195.512918	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2Na"	45.978436
"1406697"	130.677704	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H+2Na"	46.985712
"1440641"	392.060146	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H+HCOOH"	47.012746
"229606"	373.06964	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+3H2O+2H"	56.04448
"1520223"	406.11219	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+IsoProp+H"	61.06479
"415167"	376.023588	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+Na+K"	61.952376
"782361"	548.547288	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+Na+K"	61.952376
"1678698"	203.499888	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Na+K"	61.952376
"265218"	754.110568	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+ACN+Na"	64.015768
"1241089"	409.063168	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+Na"	64.015768
"1725722"	409.086693	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+NH4+HCOOH"	64.039293
"1192783"	138.005018	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+3Na"	68.967654
"1660971"	414.042088	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Na+HCOOH"	68.994688
"171845"	767.01384	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+2K-H"	76.91904
"609579"	1112.06124	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+2K-H"	76.91904
"1098465"	421.96644	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2K-H"	76.91904
"149447"	384.010558	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"2M+2K"	77.926316
"590464"	556.534258	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"3M+2K"	77.926316
"1076069"	211.486858	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2K"	77.926316
"1110738"	423.980992	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2K+H"	78.933592
"1350535"	424.068607	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+DMSO+H"	79.021207
"1021312"	428.107776	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2ACN+H"	83.060376
"1539867"	429.101408	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+IsoProp+Na+H"	84.054008
"1005303"	214.557526	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+2ACN+2H"	84.067652
"1602520"	430.016028	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+K+HCOOH"	84.968628
"1429719"	460.047538	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+H+CF3COOH"	115.000138
"1159431"	235.070801	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+3ACN+2H"	125.094202
"1708982"	477.074085	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+NH4+CF3COOH"	132.026685
"1638072"	482.02948	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+Na+CF3COOH"	136.98208
"1572632"	498.00342	"C06194"	"23-Cyclic GMP"	"C10H12N5O7P"	"345.0474"	"M+K+CF3COOH"	152.95602
"810653"	84.0324	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M"	0
"983096"	65.01401	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-H2O-H"	-19.01839
"76805"	55.014324	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M-3H"	-3.021828
"510899"	83.025124	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M-3H"	-3.021828
"891980"	27.003524	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-3H"	-3.021828
"15559"	83.025124	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M-2H"	-2.014552
"455463"	125.041324	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M-2H"	-2.014552
"830844"	41.008924	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-2H"	-2.014552
"93995"	167.057524	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M-H"	-1.007276
"533886"	251.089924	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M-H"	-1.007276
"910750"	83.025124	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-H"	-1.007276
"61719"	184.084071	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M-2H+NH4"	16.019271
"502133"	268.116471	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M-2H+NH4"	16.019271
"877016"	100.051671	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-2H+NH4"	16.019271
"40541"	189.039466	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M-2H+Na"	20.974666
"481199"	273.071866	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M-2H+Na"	20.974666
"862898"	105.007066	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-2H+Na"	20.974666
"1633402"	105.007066	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Na-2H"	20.974666
"108837"	101.013463	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M-H+Cl"	33.962126
"546814"	143.029663	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M-H+Cl"	33.962126
"941060"	58.997263	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-H+Cl"	33.962126
"281564"	203.034202	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+Cl"	34.969402
"669119"	287.066602	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+Cl"	34.969402
"1287721"	119.001802	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Cl"	34.969402
"30518"	205.013406	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M-2H+K"	36.948606
"469106"	289.045806	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M-2H+K"	36.948606
"844721"	120.981006	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-2H+K"	36.948606
"1568207"	120.981006	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+K-2H"	36.948606
"953904"	129.030594	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-H+HCOOH"	44.998194
"371026"	213.063001	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+HCOOH-H"	44.998201
"352722"	227.078651	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+Hac-H"	59.013851
"1498273"	143.046251	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Hac-H"	59.013851
"961437"	151.012551	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-H+NaCOOH"	66.980151
"121293"	119.001802	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+2Cl"	69.938804
"559762"	161.018002	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+2Cl"	69.938804
"1035851"	76.985602	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2Cl"	69.938804
"1254337"	162.951285	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Br"	78.918885
"1317149"	165.007272	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Cl+HCOOH"	80.974872
"1333551"	186.989229	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Cl+NaCOOH"	102.956829
"925338"	197.017986	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M-H+CF3COOH"	112.985586
"1303138"	232.994664	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Cl+CF3COOH"	148.962264
"1377288"	49.019724	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H-2H2O"	-35.012676
"1395881"	67.0297	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H-H2O"	-17.0027
"295567"	169.072076	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+H"	1.007276
"682521"	253.104476	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+H"	1.007276
"1359961"	85.039676	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H"	1.007276
"133942"	85.039676	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+2H"	2.014552
"570220"	127.055876	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+2H"	2.014552
"1047775"	43.023476	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2H"	2.014552
"217875"	57.028876	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+3H"	3.021828
"651967"	85.039676	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+3H"	3.021828
"1171186"	29.018076	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+3H"	3.021828
"432270"	186.098623	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+NH4"	18.033823
"791079"	270.131023	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+NH4"	18.033823
"1689597"	102.066223	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+NH4"	18.033823
"337875"	93.5529495	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+H+NH4"	19.041099
"731390"	135.5691495	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+H+NH4"	19.041099
"1491049"	51.5367495	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H+NH4"	19.041099
"407541"	191.054018	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+Na"	22.989218
"768167"	275.086418	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+Na"	22.989218
"1617729"	107.021618	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Na"	22.989218
"326308"	96.030647	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+H+Na"	23.996494
"718363"	138.046847	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+H+Na"	23.996494
"1475463"	54.014447	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H+Na"	23.996494
"1067862"	36.34539	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2H+Na"	25.00377
"1272058"	117.065886	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+CH3OH+H"	33.033486
"392539"	207.027958	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+K"	38.963158
"753816"	291.060358	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+K"	38.963158
"1555064"	122.995558	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+K"	38.963158
"313453"	104.017617	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+H+K"	39.970434
"705630"	146.033817	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+H+K"	39.970434
"1460542"	62.001417	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H+K"	39.970434
"251340"	210.098626	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+ACN+H"	42.033826
"1225556"	126.066226	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+ACN+H"	42.033826
"1209893"	63.536751	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+ACN+2H"	43.041102
"204243"	213.03596	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+2Na-H"	44.97116
"643957"	297.06836	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+2Na-H"	44.97116
"1144578"	129.00356	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2Na-H"	44.97116
"183495"	107.021618	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+2Na"	45.978436
"617588"	149.037818	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+2Na"	45.978436
"1130823"	65.005418	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2Na"	45.978436
"1411182"	43.672704	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H+2Na"	46.985712
"1443666"	131.045146	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H+HCOOH"	47.012746
"233000"	112.05464	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+3H2O+2H"	56.04448
"1520702"	145.09719	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+IsoProp+H"	61.06479
"420389"	115.008588	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+Na+K"	61.952376
"781749"	157.024788	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+Na+K"	61.952376
"1677353"	72.992388	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Na+K"	61.952376
"266059"	232.080568	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+ACN+Na"	64.015768
"1239860"	148.048168	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+ACN+Na"	64.015768
"1726929"	148.071693	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+NH4+HCOOH"	64.039293
"1192286"	51.000018	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+3Na"	68.967654
"1664364"	153.027088	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Na+HCOOH"	68.994688
"172448"	244.98384	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+2K-H"	76.91904
"608964"	329.01624	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+2K-H"	76.91904
"1098093"	160.95144	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2K-H"	76.91904
"155392"	122.995558	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"2M+2K"	77.926316
"594469"	165.011758	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"3M+2K"	77.926316
"1079464"	80.979358	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2K"	77.926316
"1109393"	162.965992	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2K+H"	78.933592
"1350038"	163.053607	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+DMSO+H"	79.021207
"1020395"	167.092776	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2ACN+H"	83.060376
"1539582"	168.086408	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+IsoProp+Na+H"	84.054008
"1002532"	84.050026	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+2ACN+2H"	84.067652
"1600314"	169.001028	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+K+HCOOH"	84.968628
"1427432"	199.032538	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+H+CF3COOH"	115.000138
"1157354"	104.563301	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+3ACN+2H"	125.094202
"1707998"	216.059085	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+NH4+CF3COOH"	132.026685
"1637089"	221.01448	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+Na+CF3COOH"	136.98208
"1572742"	236.98842	"C06195"	"Imidazolone;4-Imidazolone;Imidazol-4-one"	"C3H4N2O"	"84.0324"	"M+K+CF3COOH"	152.95602
"810763"	332.0522	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M"	0
"974481"	313.03381	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-H2O-H"	-19.01839
"65979"	220.360857333333	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M-3H"	-3.021828
"504447"	331.044924	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M-3H"	-3.021828
"881154"	109.676790666667	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-3H"	-3.021828
"9571"	331.044924	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M-2H"	-2.014552
"444758"	497.071024	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M-2H"	-2.014552
"828030"	165.018824	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-2H"	-2.014552
"88021"	663.097124	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M-H"	-1.007276
"531960"	995.149324	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M-H"	-1.007276
"910854"	331.044924	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-H"	-1.007276
"56482"	680.123671	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M-2H+NH4"	16.019271
"502118"	1012.175871	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M-2H+NH4"	16.019271
"869471"	348.071471	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-2H+NH4"	16.019271
"33723"	685.079066	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M-2H+Na"	20.974666
"481309"	1017.131266	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M-2H+Na"	20.974666
"863820"	353.026866	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-2H+Na"	20.974666
"1633962"	353.026866	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Na-2H"	20.974666
"109271"	349.033263	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M-H+Cl"	33.962126
"548747"	515.059363	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M-H+Cl"	33.962126
"940440"	183.007163	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-H+Cl"	33.962126
"282041"	699.073802	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+Cl"	34.969402
"672145"	1031.126002	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+Cl"	34.969402
"1286980"	367.021602	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Cl"	34.969402
"29293"	701.053006	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M-2H+K"	36.948606
"468123"	1033.105206	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M-2H+K"	36.948606
"844831"	369.000806	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-2H+K"	36.948606
"1567224"	369.000806	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+K-2H"	36.948606
"952921"	377.050394	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-H+HCOOH"	44.998194
"370043"	709.102601	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+HCOOH-H"	44.998201
"353925"	723.118251	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+Hac-H"	59.013851
"1497290"	391.066051	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Hac-H"	59.013851
"962643"	399.032351	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-H+NaCOOH"	66.980151
"121403"	367.021602	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+2Cl"	69.938804
"560965"	533.047702	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+2Cl"	69.938804
"1035232"	200.995502	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2Cl"	69.938804
"1253718"	410.971085	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Br"	78.918885
"1315073"	413.027072	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Cl+HCOOH"	80.974872
"1331475"	435.009029	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Cl+NaCOOH"	102.956829
"923626"	445.037786	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M-H+CF3COOH"	112.985586
"1302519"	481.014464	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Cl+CF3COOH"	148.962264
"1377398"	297.039524	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H-2H2O"	-35.012676
"1396720"	315.0495	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H-H2O"	-17.0027
"292397"	665.111676	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+H"	1.007276
"682631"	997.163876	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+H"	1.007276
"1358978"	333.059476	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H"	1.007276
"132959"	333.059476	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+2H"	2.014552
"571424"	499.085576	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+2H"	2.014552
"1043503"	167.033376	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2H"	2.014552
"213611"	222.375409333333	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+3H"	3.021828
"647338"	333.059476	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+3H"	3.021828
"1167286"	111.691342666667	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+3H"	3.021828
"427276"	682.138223	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+NH4"	18.033823
"790458"	1014.190423	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+NH4"	18.033823
"1688612"	350.086023	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+NH4"	18.033823
"335798"	341.5727495	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+H+NH4"	19.041099
"730407"	507.5988495	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+H+NH4"	19.041099
"1491156"	175.5466495	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H+NH4"	19.041099
"405464"	687.093618	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+Na"	22.989218
"766090"	1019.145818	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+Na"	22.989218
"1617470"	355.041418	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Na"	22.989218
"324230"	344.050447	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+H+Na"	23.996494
"717743"	510.076547	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+H+Na"	23.996494
"1474480"	178.024347	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H+Na"	23.996494
"1065905"	119.018656666667	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2H+Na"	25.00377
"1272447"	365.085686	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+CH3OH+H"	33.033486
"390537"	703.067558	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+K"	38.963158
"751168"	1035.119758	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+K"	38.963158
"1555289"	371.015358	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+K"	38.963158
"311127"	352.037417	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+H+K"	39.970434
"705739"	518.063517	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+H+K"	39.970434
"1460895"	186.011317	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H+K"	39.970434
"251323"	706.138226	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+ACN+H"	42.033826
"1225367"	374.086026	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+ACN+H"	42.033826
"1209572"	187.546651	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+ACN+2H"	43.041102
"203694"	709.07556	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+2Na-H"	44.97116
"643860"	1041.12776	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+2Na-H"	44.97116
"1141408"	377.02336	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2Na-H"	44.97116
"183605"	355.041418	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+2Na"	45.978436
"618791"	521.067518	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+2Na"	45.978436
"1130443"	189.015318	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2Na"	45.978436
"1408012"	126.345970666667	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H+2Na"	46.985712
"1440130"	379.064946	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H+HCOOH"	47.012746
"232014"	360.07444	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+3H2O+2H"	56.04448
"1521906"	393.11699	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+IsoProp+H"	61.06479
"421227"	363.028388	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+Na+K"	61.952376
"783679"	529.054488	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+Na+K"	61.952376
"1678554"	197.002288	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Na+K"	61.952376
"266046"	728.120168	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+ACN+Na"	64.015768
"1237051"	396.067968	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+ACN+Na"	64.015768
"1724854"	396.091493	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+NH4+HCOOH"	64.039293
"1191301"	133.673284666667	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+3Na"	68.967654
"1663744"	401.046888	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Na+HCOOH"	68.994688
"169514"	741.02344	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+2K-H"	76.91904
"609074"	1073.07564	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+2K-H"	76.91904
"1097593"	408.97124	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2K-H"	76.91904
"153315"	371.015358	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"2M+2K"	77.926316
"593969"	537.041458	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"3M+2K"	77.926316
"1078843"	204.989258	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2K"	77.926316
"1108773"	410.985792	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2K+H"	78.933592
"1347349"	411.073407	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+DMSO+H"	79.021207
"1019165"	415.112576	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2ACN+H"	83.060376
"1537290"	416.106208	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+IsoProp+Na+H"	84.054008
"1001547"	208.059926	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+2ACN+2H"	84.067652
"1598236"	417.020828	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+K+HCOOH"	84.968628
"1421709"	447.052338	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+H+CF3COOH"	115.000138
"1156370"	228.573201	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+3ACN+2H"	125.094202
"1702641"	464.078885	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+NH4+CF3COOH"	132.026685
"1634442"	469.03428	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+Na+CF3COOH"	136.98208
"1572001"	485.00822	"C06196"	"2-Deoxyinosine 5-phosphate;dIMP"	"C10H13N4O7P"	"332.0522"	"M+K+CF3COOH"	152.95602
"810873"	756.0819	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M"	0
"974930"	737.06351	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-H2O-H"	-19.01839
"67183"	503.047324	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M-3H"	-3.021828
"511117"	755.074624	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M-3H"	-3.021828
"882357"	251.020024	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-3H"	-3.021828
"8588"	755.074624	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M-2H"	-2.014552
"445961"	1133.115574	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M-2H"	-2.014552
"828140"	377.033674	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-2H"	-2.014552
"91411"	1511.156524	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M-H"	-1.007276
"532799"	2267.238424	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M-H"	-1.007276
"908778"	755.074624	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-H"	-1.007276
"56592"	1528.183071	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M-2H+NH4"	16.019271
"499800"	2284.264971	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M-2H+NH4"	16.019271
"869581"	772.101171	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-2H+NH4"	16.019271
"35292"	1533.138466	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M-2H+Na"	20.974666
"479233"	2289.220366	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M-2H+Na"	20.974666
"861417"	777.056566	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-2H+Na"	20.974666
"1633707"	777.056566	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Na-2H"	20.974666
"109791"	773.062963	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M-H+Cl"	33.962126
"548857"	1151.103913	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M-H+Cl"	33.962126
"940550"	395.022013	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-H+Cl"	33.962126
"280199"	1547.133202	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+Cl"	34.969402
"671525"	2303.215102	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+Cl"	34.969402
"1286845"	791.051302	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Cl"	34.969402
"28672"	1549.112406	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M-2H+K"	36.948606
"466046"	2305.194306	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M-2H+K"	36.948606
"844941"	793.030506	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-2H+K"	36.948606
"1567333"	793.030506	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+K-2H"	36.948606
"948657"	801.080094	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-H+HCOOH"	44.998194
"365779"	1557.162001	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+HCOOH-H"	44.998201
"350755"	1571.177651	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+Hac-H"	59.013851
"1498493"	815.095751	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Hac-H"	59.013851
"962753"	823.062051	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-H+NaCOOH"	66.980151
"120420"	791.051302	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+2Cl"	69.938804
"561075"	1169.092252	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+2Cl"	69.938804
"1033156"	413.010352	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2Cl"	69.938804
"1251642"	835.000785	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Br"	78.918885
"1314091"	837.056772	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Cl+HCOOH"	80.974872
"1331586"	859.038729	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Cl+NaCOOH"	102.956829
"924829"	869.067486	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M-H+CF3COOH"	112.985586
"1300443"	905.044164	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Cl+CF3COOH"	148.962264
"1378601"	721.069224	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H-2H2O"	-35.012676
"1396101"	739.0792	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H-H2O"	-17.0027
"292507"	1513.171076	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+H"	1.007276
"684927"	2269.252976	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+H"	1.007276
"1361274"	757.089176	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H"	1.007276
"134162"	757.089176	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+2H"	2.014552
"571534"	1135.130126	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+2H"	2.014552
"1042520"	379.048226	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2H"	2.014552
"211534"	505.061876	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+3H"	3.021828
"648177"	757.089176	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+3H"	3.021828
"1167032"	253.034576	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+3H"	3.021828
"427021"	1530.197623	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+NH4"	18.033823
"789111"	2286.279523	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+NH4"	18.033823
"1688722"	774.115723	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+NH4"	18.033823
"335908"	765.6024495	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+H+NH4"	19.041099
"729424"	1143.6433995	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+H+NH4"	19.041099
"1490537"	387.5614995	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H+NH4"	19.041099
"407031"	1535.153018	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+Na"	22.989218
"765107"	2291.234918	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+Na"	22.989218
"1614301"	779.071118	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Na"	22.989218
"326529"	768.080147	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+H+Na"	23.996494
"717854"	1146.121097	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+H+Na"	23.996494
"1474955"	390.039197	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H+Na"	23.996494
"1064922"	260.36189	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2H+Na"	25.00377
"1272517"	789.115386	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+CH3OH+H"	33.033486
"391375"	1551.126958	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+K"	38.963158
"751279"	2307.208858	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+K"	38.963158
"1555156"	795.045058	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+K"	38.963158
"311602"	776.067117	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+H+K"	39.970434
"705120"	1154.108067	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+H+K"	39.970434
"1459669"	398.026167	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H+K"	39.970434
"251192"	1554.197626	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+ACN+H"	42.033826
"1225536"	798.115726	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+ACN+H"	42.033826
"1209601"	399.561501	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+ACN+2H"	43.041102
"203560"	1557.13496	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+2Na-H"	44.97116
"643606"	2313.21686	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+2Na-H"	44.97116
"1141518"	801.05306	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2Na-H"	44.97116
"183715"	779.071118	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+2Na"	45.978436
"619994"	1157.112068	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+2Na"	45.978436
"1129339"	401.030168	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2Na"	45.978436
"1408122"	267.689204	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H+2Na"	46.985712
"1439147"	803.094646	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H+HCOOH"	47.012746
"229936"	784.10414	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+3H2O+2H"	56.04448
"1520194"	817.14669	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+IsoProp+H"	61.06479
"420609"	787.058088	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+Na+K"	61.952376
"782696"	1165.099038	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+Na+K"	61.952376
"1676841"	409.017138	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Na+K"	61.952376
"260442"	1576.179568	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+ACN+Na"	64.015768
"1232057"	820.097668	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+ACN+Na"	64.015768
"1724227"	820.121193	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+NH4+HCOOH"	64.039293
"1189583"	275.016518	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+3Na"	68.967654
"1662396"	825.076588	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Na+HCOOH"	68.994688
"167070"	1589.08284	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+2K-H"	76.91904
"610642"	2345.16474	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+2K-H"	76.91904
"1097339"	833.00094	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2K-H"	76.91904
"153425"	795.045058	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"2M+2K"	77.926316
"591163"	1173.086008	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"3M+2K"	77.926316
"1080046"	417.004108	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2K"	77.926316
"1109974"	835.015492	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2K+H"	78.933592
"1346366"	835.103107	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+DMSO+H"	79.021207
"1017086"	839.142276	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2ACN+H"	83.060376
"1537399"	840.135908	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+IsoProp+Na+H"	84.054008
"1000564"	420.074776	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+2ACN+2H"	84.067652
"1598346"	841.050528	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+K+HCOOH"	84.968628
"1421819"	871.082038	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+H+CF3COOH"	115.000138
"1154293"	440.588051	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+3ACN+2H"	125.094202
"1702751"	888.108585	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+NH4+CF3COOH"	132.026685
"1634428"	893.06398	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+Na+CF3COOH"	136.98208
"1574056"	909.03792	"C06197"	"P1P3-Bis(5-adenosyl) triphosphate;ApppA;Adenosine 5-triphosphate 5-adenosine"	"C20H27N10O16P3"	"756.0819"	"M+K+CF3COOH"	152.95602
"810983"	789.9938	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M"	0
"977954"	770.97541	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-H2O-H"	-19.01839
"65106"	525.655257333333	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M-3H"	-3.021828
"504666"	788.986524	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M-3H"	-3.021828
"882467"	262.323990666667	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-3H"	-3.021828
"6511"	788.986524	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M-2H"	-2.014552
"444978"	1183.983424	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M-2H"	-2.014552
"828250"	393.989624	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-2H"	-2.014552
"91521"	1578.980324	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M-H"	-1.007276
"531087"	2368.974124	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M-H"	-1.007276
"905609"	788.986524	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-H"	-1.007276
"57796"	1596.006871	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M-2H+NH4"	16.019271
"497357"	2386.000671	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M-2H+NH4"	16.019271
"869691"	806.013071	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-2H+NH4"	16.019271
"37590"	1600.962266	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M-2H+Na"	20.974666
"475332"	2390.956066	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M-2H+Na"	20.974666
"853136"	810.968466	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-2H+Na"	20.974666
"1631053"	810.968466	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Na-2H"	20.974666
"108434"	806.974863	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M-H+Cl"	33.962126
"546778"	1201.971763	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M-H+Cl"	33.962126
"941876"	411.977963	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-H+Cl"	33.962126
"277027"	1614.957002	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+Cl"	34.969402
"670542"	2404.950802	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+Cl"	34.969402
"1286349"	824.963202	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Cl"	34.969402
"28782"	1616.936206	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M-2H+K"	36.948606
"460688"	2406.930006	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M-2H+K"	36.948606
"840676"	826.942406	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-2H+K"	36.948606
"1567443"	826.942406	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+K-2H"	36.948606
"945487"	834.991994	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-H+HCOOH"	44.998194
"365889"	1624.985801	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+HCOOH-H"	44.998201
"350865"	1639.001451	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+Hac-H"	59.013851
"1495323"	849.007651	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Hac-H"	59.013851
"960676"	856.973951	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-H+NaCOOH"	66.980151
"119436"	824.963202	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+2Cl"	69.938804
"563371"	1219.960102	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+2Cl"	69.938804
"1032173"	429.966302	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2Cl"	69.938804
"1253936"	868.912685	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Br"	78.918885
"1314200"	870.968672	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Cl+HCOOH"	80.974872
"1331695"	892.950629	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Cl+NaCOOH"	102.956829
"923844"	902.979386	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M-H+CF3COOH"	112.985586
"1300552"	938.956064	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Cl+CF3COOH"	148.962264
"1376523"	754.981124	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H-2H2O"	-35.012676
"1394024"	772.9911	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H-H2O"	-17.0027
"290429"	1580.994876	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+H"	1.007276
"683944"	2370.988676	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+H"	1.007276
"1359198"	791.001076	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H"	1.007276
"133178"	791.001076	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+2H"	2.014552
"570549"	1185.997976	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+2H"	2.014552
"1042630"	396.004176	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2H"	2.014552
"210551"	527.669809333333	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+3H"	3.021828
"646830"	791.001076	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+3H"	3.021828
"1166049"	264.338542666667	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+3H"	3.021828
"428224"	1598.021423	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+NH4"	18.033823
"789221"	2388.015223	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+NH4"	18.033823
"1689925"	808.027623	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+NH4"	18.033823
"336018"	799.5143495	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+H+NH4"	19.041099
"729534"	1194.5112495	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+H+NH4"	19.041099
"1487368"	404.5174495	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H+NH4"	19.041099
"402040"	1602.976818	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+Na"	22.989218
"765217"	2392.970618	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+Na"	22.989218
"1613318"	812.983018	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Na"	22.989218
"322263"	801.992047	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+H+Na"	23.996494
"714682"	1196.988947	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+H+Na"	23.996494
"1471782"	406.995147	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H+Na"	23.996494
"1062846"	271.665856666667	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2H+Na"	25.00377
"1271090"	823.027286	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+CH3OH+H"	33.033486
"389663"	1618.950758	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+K"	38.963158
"752115"	2408.944558	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+K"	38.963158
"1553073"	828.956958	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+K"	38.963158
"312806"	809.979017	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+H+K"	39.970434
"705590"	1204.975917	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+H+K"	39.970434
"1459411"	414.982117	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H+K"	39.970434
"251052"	1622.021426	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+ACN+H"	42.033826
"1223635"	832.027626	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+ACN+H"	42.033826
"1207155"	416.517451	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+ACN+2H"	43.041102
"200755"	1624.95876	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+2Na-H"	44.97116
"643597"	2414.95256	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+2Na-H"	44.97116
"1141628"	834.96496	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2Na-H"	44.97116
"180544"	812.983018	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+2Na"	45.978436
"615363"	1207.979918	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+2Na"	45.978436
"1130057"	417.986118	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2Na"	45.978436
"1408232"	278.993170666667	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H+2Na"	46.985712
"1440349"	837.006546	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H+HCOOH"	47.012746
"225671"	818.01604	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+3H2O+2H"	56.04448
"1514826"	851.05859	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+IsoProp+H"	61.06479
"416701"	820.969988	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+Na+K"	61.952376
"784142"	1215.966888	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+Na+K"	61.952376
"1678044"	425.973088	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Na+K"	61.952376
"260552"	1644.003368	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+ACN+Na"	64.015768
"1233260"	854.009568	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+ACN+Na"	64.015768
"1724700"	854.033093	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+NH4+HCOOH"	64.039293
"1188600"	286.320484666667	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+3Na"	68.967654
"1662870"	858.988488	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Na+HCOOH"	68.994688
"166451"	1656.90664	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+2K-H"	76.91904
"611724"	2446.90044	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+2K-H"	76.91904
"1095991"	866.91284	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2K-H"	76.91904
"153899"	828.956958	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"2M+2K"	77.926316
"591273"	1223.953858	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"3M+2K"	77.926316
"1079062"	433.960058	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2K"	77.926316
"1107897"	868.927392	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2K+H"	78.933592
"1347569"	869.015007	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+DMSO+H"	79.021207
"1018292"	873.054176	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2ACN+H"	83.060376
"1538601"	874.047808	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+IsoProp+Na+H"	84.054008
"1000674"	437.030726	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+2ACN+2H"	84.067652
"1597363"	874.962428	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+K+HCOOH"	84.968628
"1419742"	904.993938	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+H+CF3COOH"	115.000138
"1153310"	457.544001	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+3ACN+2H"	125.094202
"1702861"	922.020485	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+NH4+CF3COOH"	132.026685
"1634499"	926.97588	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+Na+CF3COOH"	136.98208
"1574166"	942.94982	"C06198"	"P1P4-Bis(5-uridyl) tetraphosphate;UppppU"	"C18H26N4O23P4"	"789.9938"	"M+K+CF3COOH"	152.95602
"811093"	165.1154	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M"	0
"974662"	146.09701	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-H2O-H"	-19.01839
"64124"	109.069657333333	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M-3H"	-3.021828
"508058"	164.108124	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M-3H"	-3.021828
"882577"	54.0311906666667	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-3H"	-3.021828
"5529"	164.108124	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M-2H"	-2.014552
"443995"	246.665824	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M-2H"	-2.014552
"822892"	81.550424	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-2H"	-2.014552
"88351"	329.223524	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M-H"	-1.007276
"531197"	494.338924	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M-H"	-1.007276
"907905"	164.108124	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-H"	-1.007276
"58999"	346.250071	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M-2H+NH4"	16.019271
"498560"	511.365471	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M-2H+NH4"	16.019271
"869801"	181.134671	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-2H+NH4"	16.019271
"35148"	351.205466	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M-2H+Na"	20.974666
"475442"	516.320866	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M-2H+Na"	20.974666
"857256"	186.090066	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-2H+Na"	20.974666
"1631163"	186.090066	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Na-2H"	20.974666
"107330"	182.096463	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M-H+Cl"	33.962126
"546160"	264.654163	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M-H+Cl"	33.962126
"939686"	99.538763	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-H+Cl"	33.962126
"280785"	365.200202	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+Cl"	34.969402
"673693"	530.315602	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+Cl"	34.969402
"1284516"	200.084802	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Cl"	34.969402
"28167"	367.179406	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M-2H+K"	36.948606
"464080"	532.294806	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M-2H+K"	36.948606
"840787"	202.064006	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-2H+K"	36.948606
"1564274"	202.064006	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+K-2H"	36.948606
"948878"	210.113594	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-H+HCOOH"	44.998194
"367094"	375.229001	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+HCOOH-H"	44.998201
"353162"	389.244651	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+Hac-H"	59.013851
"1498713"	224.129251	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Hac-H"	59.013851
"962973"	232.095551	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-H+NaCOOH"	66.980151
"120639"	200.084802	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+2Cl"	69.938804
"561295"	282.642502	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+2Cl"	69.938804
"1034468"	117.527102	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2Cl"	69.938804
"1254046"	244.034285	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Br"	78.918885
"1315405"	246.090272	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Cl+HCOOH"	80.974872
"1332898"	268.072229	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Cl+NaCOOH"	102.956829
"925049"	278.100986	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M-H+CF3COOH"	112.985586
"1302848"	314.077664	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Cl+CF3COOH"	148.962264
"1373354"	130.102724	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H-2H2O"	-35.012676
"1396321"	148.1127	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H-H2O"	-17.0027
"289446"	331.238076	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+H"	1.007276
"682961"	496.353476	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+H"	1.007276
"1359308"	166.122676	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H"	1.007276
"131102"	166.122676	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+2H"	2.014552
"568473"	248.680376	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+2H"	2.014552
"1042740"	83.564976	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2H"	2.014552
"212846"	111.084209333333	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+3H"	3.021828
"651313"	166.122676	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+3H"	3.021828
"1174907"	56.0457426666667	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+3H"	3.021828
"429428"	348.264623	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+NH4"	18.033823
"791519"	513.380023	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+NH4"	18.033823
"1690036"	183.149223	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+NH4"	18.033823
"335034"	174.6359495	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+H+NH4"	19.041099
"730736"	257.1936495	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+H+NH4"	19.041099
"1486752"	92.0782495	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H+NH4"	19.041099
"403245"	353.220018	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+Na"	22.989218
"766424"	518.335418	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+Na"	22.989218
"1612335"	188.104618	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Na"	22.989218
"320188"	177.113647	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+H+Na"	23.996494
"712607"	259.671347	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+H+Na"	23.996494
"1469705"	94.555947	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H+Na"	23.996494
"1064048"	63.3730566666667	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2H+Na"	25.00377
"1270835"	198.148886	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+CH3OH+H"	33.033486
"389044"	369.193958	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+K"	38.963158
"749676"	534.309358	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+K"	38.963158
"1550636"	204.078558	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+K"	38.963158
"311823"	185.100617	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+H+K"	39.970434
"704972"	267.658317	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+H+K"	39.970434
"1457699"	102.542917	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H+K"	39.970434
"248124"	372.264626	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+ACN+H"	42.033826
"1223382"	207.149226	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+ACN+H"	42.033826
"1207874"	104.078251	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+ACN+2H"	43.041102
"200865"	375.20196	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+2Na-H"	44.97116
"642857"	540.31736	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+2Na-H"	44.97116
"1141739"	210.08656	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2Na-H"	44.97116
"180654"	188.104618	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+2Na"	45.978436
"617662"	270.662318	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+2Na"	45.978436
"1130167"	105.546918	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2Na"	45.978436
"1408342"	70.7003706666667	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H+2Na"	46.985712
"1437180"	212.128146	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H+HCOOH"	47.012746
"224688"	193.13764	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+3H2O+2H"	56.04448
"1514936"	226.18019	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+IsoProp+H"	61.06479
"417904"	196.091588	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+Na+K"	61.952376
"777810"	278.649288	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+Na+K"	61.952376
"1674142"	113.533888	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Na+K"	61.952376
"259568"	394.246568	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+ACN+Na"	64.015768
"1234830"	229.131168	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+ACN+Na"	64.015768
"1721165"	229.154693	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+NH4+HCOOH"	64.039293
"1185427"	78.0276846666667	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+3Na"	68.967654
"1661887"	234.110088	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Na+HCOOH"	68.994688
"170574"	407.14984	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+2K-H"	76.91904
"609402"	572.26524	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+2K-H"	76.91904
"1097560"	242.03444	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2K-H"	76.91904
"152917"	204.078558	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"2M+2K"	77.926316
"590289"	286.636258	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"3M+2K"	77.926316
"1078078"	121.520858	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2K"	77.926316
"1114454"	244.048992	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2K+H"	78.933592
"1348773"	244.136607	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+DMSO+H"	79.021207
"1018399"	248.175776	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2ACN+H"	83.060376
"1533242"	249.169408	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+IsoProp+Na+H"	84.054008
"997502"	124.591526	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+2ACN+2H"	84.067652
"1592005"	250.084028	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+K+HCOOH"	84.968628
"1418758"	280.115538	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+H+CF3COOH"	115.000138
"1151234"	145.104801	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+3ACN+2H"	125.094202
"1697625"	297.142085	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+NH4+CF3COOH"	132.026685
"1634979"	302.09748	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+Na+CF3COOH"	136.98208
"1574276"	318.07142	"C06199"	"Hordenine;4-2-(Dimethylamino)ethylphenol"	"C10H15NO"	"165.1154"	"M+K+CF3COOH"	152.95602
"814483"	190.0477	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M"	0
"984734"	171.02931	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-H2O-H"	-19.01839
"70795"	125.691190666667	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M-3H"	-3.021828
"511448"	189.040424	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M-3H"	-3.021828
"885968"	62.3419573333333	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-3H"	-3.021828
"5639"	189.040424	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M-2H"	-2.014552
"444469"	284.064274	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M-2H"	-2.014552
"819719"	94.016574	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-2H"	-2.014552
"85181"	379.088124	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M-H"	-1.007276
"534192"	569.135824	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M-H"	-1.007276
"908013"	189.040424	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-H"	-1.007276
"60204"	396.114671	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M-2H+NH4"	16.019271
"501950"	586.162371	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M-2H+NH4"	16.019271
"875377"	206.066971	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-2H+NH4"	16.019271
"35622"	401.070066	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M-2H+Na"	20.974666
"479562"	591.117766	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M-2H+Na"	20.974666
"859553"	211.022366	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-2H+Na"	20.974666
"1623619"	211.022366	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Na-2H"	20.974666
"107804"	207.028763	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M-H+Cl"	33.962126
"546998"	302.052613	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M-H+Cl"	33.962126
"941862"	112.004913	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-H+Cl"	33.962126
"281755"	415.064802	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+Cl"	34.969402
"674902"	605.112502	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+Cl"	34.969402
"1287788"	225.017102	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Cl"	34.969402
"29005"	417.044006	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M-2H+K"	36.948606
"466377"	607.091706	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M-2H+K"	36.948606
"840898"	226.996306	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-2H+K"	36.948606
"1564384"	226.996306	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+K-2H"	36.948606
"955550"	235.045894	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-H+HCOOH"	44.998194
"368298"	425.093601	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+HCOOH-H"	44.998201
"351085"	439.109251	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+Hac-H"	59.013851
"1497730"	249.061551	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Hac-H"	59.013851
"959193"	257.027851	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-H+NaCOOH"	66.980151
"121843"	225.017102	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+2Cl"	69.938804
"561405"	320.040952	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+2Cl"	69.938804
"1033486"	129.993252	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2Cl"	69.938804
"1254886"	268.966585	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Br"	78.918885
"1315515"	271.022572	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Cl+HCOOH"	80.974872
"1331914"	293.004529	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Cl+NaCOOH"	102.956829
"925157"	303.033286	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M-H+CF3COOH"	112.985586
"1299678"	339.009964	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Cl+CF3COOH"	148.962264
"1373464"	155.035024	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H-2H2O"	-35.012676
"1393152"	173.045	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H-H2O"	-17.0027
"292836"	381.102676	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+H"	1.007276
"683071"	571.150376	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+H"	1.007276
"1358325"	191.054976	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H"	1.007276
"130847"	191.054976	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+2H"	2.014552
"567488"	286.078826	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+2H"	2.014552
"1040662"	96.031126	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2H"	2.014552
"210763"	127.705742666667	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+3H"	3.021828
"653610"	191.054976	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+3H"	3.021828
"1168456"	64.3565093333333	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+3H"	3.021828
"432819"	398.129223	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+NH4"	18.033823
"792723"	588.176923	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+NH4"	18.033823
"1689054"	208.081523	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+NH4"	18.033823
"335145"	199.5682495	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+H+NH4"	19.041099
"730845"	294.5920995	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+H+NH4"	19.041099
"1490138"	104.5443995	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H+NH4"	19.041099
"404447"	403.084618	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+Na"	22.989218
"768356"	593.132318	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+Na"	22.989218
"1614631"	213.036918	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Na"	22.989218
"324672"	202.045947	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+H+Na"	23.996494
"714904"	297.069797	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+H+Na"	23.996494
"1468723"	107.022097	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H+Na"	23.996494
"1064158"	71.6838233333333	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2H+Na"	25.00377
"1272160"	223.081186	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+CH3OH+H"	33.033486
"390977"	419.058558	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+K"	38.963158
"754039"	609.106258	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+K"	38.963158
"1554756"	229.010858	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+K"	38.963158
"313755"	210.032917	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+H+K"	39.970434
"706540"	305.056767	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+H+K"	39.970434
"1461089"	115.009067	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H+K"	39.970434
"250786"	422.129226	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+ACN+H"	42.033826
"1223127"	232.081526	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+ACN+H"	42.033826
"1208470"	116.544401	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+ACN+2H"	43.041102
"201703"	425.06656	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+2Na-H"	44.97116
"644021"	615.11426	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+2Na-H"	44.97116
"1142942"	235.01886	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2Na-H"	44.97116
"177848"	213.036918	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+2Na"	45.978436
"615585"	308.060768	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+2Na"	45.978436
"1130519"	118.013068	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2Na"	45.978436
"1408452"	79.0111373333333	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H+2Na"	46.985712
"1438383"	237.060446	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H+HCOOH"	47.012746
"229172"	218.06994	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+3H2O+2H"	56.04448
"1516140"	251.11249	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+IsoProp+H"	61.06479
"418014"	221.023888	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+Na+K"	61.952376
"783383"	316.047738	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+Na+K"	61.952376
"1673153"	126.000038	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Na+K"	61.952376
"259669"	444.111168	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+ACN+Na"	64.015768
"1234565"	254.063468	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+ACN+Na"	64.015768
"1722359"	254.086993	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+NH4+HCOOH"	64.039293
"1189899"	86.3384513333333	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+3Na"	68.967654
"1660898"	259.042388	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Na+HCOOH"	68.994688
"166665"	457.01444	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+2K-H"	76.91904
"608419"	647.06214	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+2K-H"	76.91904
"1097303"	266.96674	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2K-H"	76.91904
"153025"	229.010858	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"2M+2K"	77.926316
"589304"	324.034708	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"3M+2K"	77.926316
"1082568"	133.987008	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2K"	77.926316
"1114689"	268.981292	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2K+H"	78.933592
"1351302"	269.068907	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+DMSO+H"	79.021207
"1020941"	273.108076	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2ACN+H"	83.060376
"1538698"	274.101708	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+IsoProp+Na+H"	84.054008
"997612"	137.057676	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+2ACN+2H"	84.067652
"1595397"	275.016328	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+K+HCOOH"	84.968628
"1419962"	305.047838	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+H+CF3COOH"	115.000138
"1151344"	157.570951	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+3ACN+2H"	125.094202
"1699803"	322.074385	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+NH4+CF3COOH"	132.026685
"1635454"	327.02978	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+Na+CF3COOH"	136.98208
"1574386"	343.00372	"C06201"	"24-Dihydroxyhept-2-enedioate;24-Dihydroxyhept-2-17-dioate;24-Dihydroxyhept-2-enedioic acid"	"C7H10O6"	"190.0477"	"M+K+CF3COOH"	152.95602
"811313"	122.0368	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M"	0
"981565"	103.01841	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H2O-H"	-19.01839
"78158"	80.3505906666667	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-3H"	-3.021828
"514839"	121.029524	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-3H"	-3.021828
"891546"	39.6716573333333	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-3H"	-3.021828
"9029"	121.029524	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H"	-2.014552
"448589"	182.047924	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H"	-2.014552
"825296"	60.011124	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H"	-2.014552
"85291"	243.066324	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-H"	-1.007276
"533810"	365.103124	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-H"	-1.007276
"910638"	121.029524	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H"	-1.007276
"58125"	260.092871	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+NH4"	16.019271
"502264"	382.129671	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+NH4"	16.019271
"871113"	138.056071	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+NH4"	16.019271
"36461"	265.048266	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+Na"	20.974666
"479672"	387.085066	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+Na"	20.974666
"860756"	143.011466	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+Na"	20.974666
"1631383"	143.011466	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na-2H"	20.974666
"107912"	139.017863	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-H+Cl"	33.962126
"547472"	200.036263	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-H+Cl"	33.962126
"942728"	77.999463	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+Cl"	33.962126
"282587"	279.043002	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Cl"	34.969402
"675605"	401.079802	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Cl"	34.969402
"1288331"	157.006202	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl"	34.969402
"28751"	281.022206	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M-2H+K"	36.948606
"467580"	403.059006	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M-2H+K"	36.948606
"841007"	158.985406	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-2H+K"	36.948606
"1563400"	158.985406	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K-2H"	36.948606
"952379"	167.034994	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+HCOOH"	44.998194
"366585"	289.071801	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+HCOOH-H"	44.998201
"347915"	303.087451	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Hac-H"	59.013851
"1497840"	181.050651	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Hac-H"	59.013851
"962097"	189.016951	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+NaCOOH"	66.980151
"123046"	157.006202	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Cl"	69.938804
"565482"	218.024602	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Cl"	69.938804
"1035422"	95.987802	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Cl"	69.938804
"1256782"	200.955685	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Br"	78.918885
"1317447"	203.011672	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+HCOOH"	80.974872
"1334820"	224.993629	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+NaCOOH"	102.956829
"926813"	235.022386	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M-H+CF3COOH"	112.985586
"1303068"	270.999064	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Cl+CF3COOH"	148.962264
"1374668"	87.024124	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H-2H2O"	-35.012676
"1398122"	105.0341	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H-H2O"	-17.0027
"296226"	245.080876	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H"	1.007276
"683180"	367.117676	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H"	1.007276
"1357340"	123.044076	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H"	1.007276
"132415"	123.044076	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2H"	2.014552
"570878"	184.062476	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2H"	2.014552
"1040771"	62.025676	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2H"	2.014552
"213059"	82.3651426666667	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+3H"	3.021828
"655544"	123.044076	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+3H"	3.021828
"1172940"	41.6862093333333	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3H"	3.021828
"434023"	262.107423	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+NH4"	18.033823
"795021"	384.144223	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+NH4"	18.033823
"1689164"	140.070623	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4"	18.033823
"336348"	131.5573495	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+NH4"	19.041099
"730955"	192.5757495	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+NH4"	19.041099
"1491341"	70.5389495	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+NH4"	19.041099
"406015"	267.062818	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Na"	22.989218
"768102"	389.099618	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Na"	22.989218
"1616564"	145.026018	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na"	22.989218
"325507"	134.035047	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+Na"	23.996494
"717201"	195.053447	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+Na"	23.996494
"1469927"	73.016647	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+Na"	23.996494
"1065361"	49.0135233333333	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2H+Na"	25.00377
"1271417"	155.070286	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+CH3OH+H"	33.033486
"391573"	283.036758	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+K"	38.963158
"753906"	405.073558	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+K"	38.963158
"1553771"	160.999958	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K"	38.963158
"312403"	142.022017	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+H+K"	39.970434
"704825"	203.040417	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+H+K"	39.970434
"1460714"	81.003617	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+K"	39.970434
"251058"	286.107426	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+ACN+H"	42.033826
"1224207"	164.070626	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+H"	42.033826
"1209062"	82.538951	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+2H"	43.041102
"202904"	289.04476	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Na-H"	44.97116
"644073"	411.08156	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Na-H"	44.97116
"1145239"	167.00796	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Na-H"	44.97116
"178322"	145.026018	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2Na"	45.978436
"620069"	206.044418	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2Na"	45.978436
"1129413"	84.007618	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2Na"	45.978436
"1408562"	56.3408373333333	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+2Na"	46.985712
"1443597"	169.049546	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+HCOOH"	47.012746
"230376"	150.05904	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+3H2O+2H"	56.04448
"1518437"	183.10159	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+IsoProp+H"	61.06479
"420311"	153.012988	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+Na+K"	61.952376
"781307"	214.031388	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+Na+K"	61.952376
"1673263"	91.994588	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+K"	61.952376
"257228"	308.089368	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+ACN+Na"	64.015768
"1233582"	186.052568	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+ACN+Na"	64.015768
"1720282"	186.076093	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4+HCOOH"	64.039293
"1190008"	63.6681513333333	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3Na"	68.967654
"1659915"	191.031488	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+HCOOH"	68.994688
"170054"	320.99264	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2K-H"	76.91904
"611692"	443.02944	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2K-H"	76.91904
"1099689"	198.95584	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K-H"	76.91904
"154230"	160.999958	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"2M+2K"	77.926316
"590509"	222.018358	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"3M+2K"	77.926316
"1082678"	99.981558	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K"	77.926316
"1115481"	200.970392	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2K+H"	78.933592
"1351107"	201.058007	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+DMSO+H"	79.021207
"1017527"	205.097176	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2ACN+H"	83.060376
"1537836"	206.090808	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+IsoProp+Na+H"	84.054008
"999909"	103.052226	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+2ACN+2H"	84.067652
"1598787"	207.005428	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K+HCOOH"	84.968628
"1420073"	237.036938	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+H+CF3COOH"	115.000138
"1151818"	123.565501	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+3ACN+2H"	125.094202
"1705381"	254.063485	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+NH4+CF3COOH"	132.026685
"1635199"	259.01888	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+Na+CF3COOH"	136.98208
"1577777"	274.99282	"C06202"	"Salicylaldehyde;o-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde"	"C7H6O2"	"122.0368"	"M+K+CF3COOH"	152.95602
"801864"	192.0423	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M"	0
"979487"	173.02391	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"71013"	127.020924	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"511669"	191.035024	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"886189"	63.006824	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"5859"	191.035024	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"444325"	287.056174	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"824312"	95.013874	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"85401"	383.077324	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"533349"	575.119624	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"910421"	191.035024	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"58236"	400.103871	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"501076"	592.146171	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"868671"	208.061571	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"34019"	405.059266	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"480875"	597.101566	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"859773"	213.016966	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1628213"	213.016966	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"106929"	209.023363	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"547582"	305.044513	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"941467"	113.002213	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"281480"	419.054002	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"674753"	611.096302	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1286305"	227.011702	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"27040"	421.033206	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"467690"	613.075506	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"841117"	228.990906	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1561324"	228.990906	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"952489"	237.040494	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"366695"	429.082801	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"348025"	443.098451	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1499043"	251.056151	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"958510"	259.022451	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"122063"	227.011702	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"559436"	323.032852	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1035894"	130.990552	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1256565"	270.961185	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1318284"	273.017172	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1333229"	294.999129	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"926109"	305.027886	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1303178"	341.004564	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1370404"	157.029624	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1396651"	175.0396	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"296336"	385.091876	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"683290"	577.134176	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1355263"	193.049576	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"129246"	193.049576	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"567709"	289.070726	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1043068"	97.028426	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"210982"	129.035476	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"652738"	193.049576	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1170865"	65.021376	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"431947"	402.118423	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"794038"	594.160723	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1689273"	210.076123	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"336458"	201.5628495	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"729971"	297.5839995	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1489265"	105.5416995	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"404667"	407.073818	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"768818"	599.116118	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1610476"	215.031518	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"321602"	204.040547	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"719498"	300.061697	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1472223"	108.019397	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1065471"	72.34869	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1272056"	225.075786	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"392415"	423.047758	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"753692"	615.090058	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1554731"	231.005458	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"312149"	212.027517	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"706028"	308.048667	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1460217"	116.006367	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"248453"	426.118426	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1224683"	234.076126	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1208320"	117.541701	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"202282"	429.05576	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"643670"	621.09806	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1145349"	237.01346	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"178432"	215.031518	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"617992"	311.052668	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1127336"	119.010368	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1408672"	79.676004	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1438604"	239.055046	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"229393"	220.06454	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1519641"	253.10709	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"417139"	223.018488	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"778135"	319.039638	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1672278"	126.997338	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"257702"	448.100368	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1230409"	256.058068	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1719299"	256.081593	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1187932"	87.003318	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1661118"	261.036988	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"166884"	461.00364	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"611557"	653.04594	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1099638"	268.96134	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"155431"	231.005458	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"590618"	327.026608	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1081695"	134.984308	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1115278"	270.975892	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1351217"	271.063507	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1019460"	275.102676	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1536853"	276.096308	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"1000019"	138.054976	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1594523"	277.010928	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1423463"	307.042438	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1151928"	158.568251	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1705491"	324.068985	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1634945"	329.02438	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1577887"	344.99832	"C06203"	"trans-o-Hydroxybenzylidenepyruvate;(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"802785"	192.0423	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M"	0
"979597"	173.02391	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"73310"	127.020924	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"515059"	191.035024	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"886299"	63.006824	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"5969"	191.035024	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"444435"	287.056174	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"824422"	95.013874	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"85511"	383.077324	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"521789"	575.119624	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"908345"	191.035024	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"60532"	400.103871	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"501793"	592.146171	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"868053"	208.061571	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"33765"	405.059266	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"478798"	597.101566	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"857696"	213.016966	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1632698"	213.016966	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"108012"	209.023363	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"549887"	305.044513	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"942634"	113.002213	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"282325"	419.054002	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"674261"	611.096302	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1286782"	227.011702	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"30673"	421.033206	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"466708"	613.075506	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"843414"	228.990906	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1561434"	228.990906	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"952599"	237.040494	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"369721"	429.082801	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"349228"	443.098451	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1499153"	251.056151	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"959766"	259.022451	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"122173"	227.011702	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"559546"	323.032852	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1036004"	130.990552	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1253392"	270.961185	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1317301"	273.017172	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1333337"	294.999129	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"925122"	305.027886	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1296727"	341.004564	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1367718"	157.029624	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1392386"	175.0396	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"295353"	385.091876	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"683400"	577.134176	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1354644"	193.049576	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"128627"	193.049576	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"567454"	289.070726	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1039899"	97.028426	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"211092"	129.035476	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"651755"	193.049576	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1174617"	65.021376	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"434243"	402.118423	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"795238"	594.160723	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1692297"	210.076123	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"337660"	201.5628495	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"730079"	297.5839995	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1491197"	105.5416995	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"406961"	407.073818	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"766861"	599.116118	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1610585"	215.031518	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"323898"	204.040547	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"717421"	300.061697	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1472333"	108.019397	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1067162"	72.34869	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1271516"	225.075786	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"392566"	423.047758	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"752910"	615.090058	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1554720"	231.005458	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"312623"	212.027517	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"705774"	308.048667	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1456682"	116.006367	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"250262"	426.118426	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1223943"	234.076126	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1206972"	117.541701	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"202028"	429.05576	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"642927"	621.09806	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1144731"	237.01346	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"177084"	215.031518	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"617738"	311.052668	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1125259"	119.010368	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1405502"	79.676004	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1436527"	239.055046	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"226222"	220.06454	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1518659"	253.10709	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"416155"	223.018488	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"778241"	319.039638	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1672384"	126.997338	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"255623"	448.100368	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1227238"	256.058068	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1717219"	256.081593	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1187314"	87.003318	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1660135"	261.036988	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"166994"	461.00364	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"609841"	653.04594	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1097634"	268.96134	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"154446"	231.005458	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"592914"	327.026608	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1081805"	134.984308	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1115304"	270.975892	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1350182"	271.063507	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1019691"	275.102676	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1532590"	276.096308	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"1000130"	138.054976	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1595726"	277.010928	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1422480"	307.042438	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1159332"	158.568251	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1705601"	324.068985	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1640159"	329.02438	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1577997"	344.99832	"C06204"	"2-Hydroxychromene-2-carboxylate;2-Hydroxy-2H-chromene-2-carboxylate"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"801923"	162.0681	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M"	0
"987363"	143.04971	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"74511"	107.038124	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"515169"	161.060824	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"889690"	53.015424	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"8267"	161.060824	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"452200"	242.094874	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"824534"	80.026774	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"88903"	323.128924	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"525182"	485.197024	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"910037"	161.060824	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"61130"	340.155471	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"500690"	502.223571	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"877279"	178.087371	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"38251"	345.110866	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"483283"	507.178966	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"856713"	183.042766	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1633660"	183.042766	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"109094"	179.049163	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"549387"	260.083213	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"941325"	98.015113	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"281826"	359.105602	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"674366"	521.173702	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1287620"	197.037502	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"27260"	361.084806	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"465725"	523.152906	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"841338"	199.016706	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1563731"	199.016706	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"948700"	207.066294	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"368738"	369.134401	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"348245"	383.150051	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1497076"	221.081951	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"959270"	229.048251	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"122283"	197.037502	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"559656"	278.071552	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1027361"	116.003452	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1252409"	240.986985	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1314856"	243.042972	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1329805"	265.024929	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"923775"	275.053686	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1293556"	311.030364	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1367460"	127.055424	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1383259"	145.0654	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"283913"	325.143476	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"680230"	487.211576	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1351633"	163.075376	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"126546"	163.075376	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"567198"	244.109426	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1040737"	82.041326	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"207917"	109.052676	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"649662"	163.075376	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1165236"	55.029976	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"425467"	342.170023	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"795348"	504.238123	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1692771"	180.101923	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"338863"	171.5886495	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"732375"	252.6226995	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1489485"	90.5545995	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"407071"	347.125418	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"765878"	509.193518	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1611788"	185.057318	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"325101"	174.066347	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"717532"	255.100397	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1473539"	93.032297	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1067761"	62.35729	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1271993"	195.101586	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"392270"	363.099358	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"753387"	525.167458	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1553494"	201.031258	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"310550"	182.053317	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"705156"	263.087367	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1458979"	101.019267	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"248674"	366.170026	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1223930"	204.101926	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1207811"	102.554601	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"202141"	369.10736	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"642429"	531.17546	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1142289"	207.03926	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"175736"	185.057318	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"617848"	266.091368	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1125369"	104.023268	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1405612"	69.684604	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1439554"	209.080846	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"230345"	190.09034	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1516949"	223.13289	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"416997"	193.044288	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"775074"	274.078338	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1671401"	112.010238	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"255733"	388.151968	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1228441"	226.083868	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1717329"	226.107393	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1187060"	77.011918	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1658785"	231.062788	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"161636"	401.05524	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"608858"	563.12334	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1097623"	238.98714	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"153465"	201.031258	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"593023"	282.065308	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1082887"	119.997208	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1112815"	241.001692	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1348226"	241.089307	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1020653"	245.128476	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1535980"	246.122108	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"998053"	123.067876	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1593649"	247.036728	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1422590"	277.068238	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1155067"	143.581151	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1705711"	294.094785	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1640269"	299.05018	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1578107"	315.02412	"C06205"	"12-Dihydronaphthalene-12-diol"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"811753"	202.0031	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M"	0
"988566"	182.98471	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-H2O-H"	-19.01839
"74622"	133.661457333333	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M-3H"	-3.021828
"511999"	200.995824	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M-3H"	-3.021828
"893080"	66.3270906666667	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-3H"	-3.021828
"9470"	200.995824	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M-2H"	-2.014552
"452312"	301.997374	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M-2H"	-2.014552
"824644"	99.994274	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-2H"	-2.014552
"87919"	402.998924	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M-H"	-1.007276
"528572"	605.002024	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M-H"	-1.007276
"910026"	200.995824	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-H"	-1.007276
"61361"	420.025471	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M-2H+NH4"	16.019271
"501163"	622.028571	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M-2H+NH4"	16.019271
"875929"	218.022371	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-2H+NH4"	16.019271
"39454"	424.980866	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M-2H+Na"	20.974666
"484489"	626.983966	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M-2H+Na"	20.974666
"856823"	222.977766	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-2H+Na"	20.974666
"1632918"	222.977766	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Na-2H"	20.974666
"102886"	218.984163	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M-H+Cl"	33.962126
"546822"	319.985713	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M-H+Cl"	33.962126
"939246"	117.982613	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-H+Cl"	33.962126
"280357"	438.975602	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+Cl"	34.969402
"673505"	640.978702	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+Cl"	34.969402
"1286637"	236.972502	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Cl"	34.969402
"28462"	440.954806	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M-2H+K"	36.948606
"463646"	642.957906	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M-2H+K"	36.948606
"838166"	238.951706	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-2H+K"	36.948606
"1561653"	238.951706	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+K-2H"	36.948606
"949539"	247.001294	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-H+HCOOH"	44.998194
"368848"	449.004401	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+HCOOH-H"	44.998201
"349448"	463.020051	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+Hac-H"	59.013851
"1497186"	261.016951	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Hac-H"	59.013851
"960108"	268.983251	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-H+NaCOOH"	66.980151
"124459"	236.972502	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+2Cl"	69.938804
"564138"	337.974052	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+2Cl"	69.938804
"1031843"	135.970952	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2Cl"	69.938804
"1253610"	280.921985	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Br"	78.918885
"1317152"	282.977972	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Cl+HCOOH"	80.974872
"1332103"	304.959929	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Cl+NaCOOH"	102.956829
"924613"	314.988686	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M-H+CF3COOH"	112.985586
"1293666"	350.965364	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Cl+CF3COOH"	148.962264
"1368910"	166.990424	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H-2H2O"	-35.012676
"1383855"	185.0004	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H-H2O"	-17.0027
"286817"	405.013476	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+H"	1.007276
"680340"	607.016576	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+H"	1.007276
"1353042"	203.010376	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H"	1.007276
"127386"	203.010376	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+2H"	2.014552
"569131"	304.011926	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+2H"	2.014552
"1041212"	102.008826	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2H"	2.014552
"209119"	135.676009333333	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+3H"	3.021828
"651958"	203.010376	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+3H"	3.021828
"1165342"	68.3416426666667	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+3H"	3.021828
"425698"	422.040023	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+NH4"	18.033823
"795458"	624.043123	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+NH4"	18.033823
"1692881"	220.036923	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+NH4"	18.033823
"340066"	211.5236495	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+H+NH4"	19.041099
"731392"	312.5251995	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+H+NH4"	19.041099
"1490324"	110.5220995	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H+NH4"	19.041099
"407304"	426.995418	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+Na"	22.989218
"765988"	628.998518	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+Na"	22.989218
"1613720"	224.992318	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Na"	22.989218
"326304"	214.001347	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+H+Na"	23.996494
"718735"	315.002897	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+H+Na"	23.996494
"1475714"	112.999797	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H+Na"	23.996494
"1065803"	75.6689566666667	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2H+Na"	25.00377
"1269665"	235.036586	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+CH3OH+H"	33.033486
"392258"	442.969358	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+K"	38.963158
"752887"	644.972458	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+K"	38.963158
"1551296"	240.966258	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+K"	38.963158
"310295"	221.988317	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+H+K"	39.970434
"703077"	322.989867	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+H+K"	39.970434
"1457995"	120.986767	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H+K"	39.970434
"250240"	446.040026	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+ACN+H"	42.033826
"1224527"	244.036926	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+ACN+H"	42.033826
"1205733"	122.522101	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+ACN+2H"	43.041102
"199696"	448.97736	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+2Na-H"	44.97116
"642539"	650.98046	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+2Na-H"	44.97116
"1139482"	246.97426	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2Na-H"	44.97116
"176575"	224.992318	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+2Na"	45.978436
"617958"	325.993868	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+2Na"	45.978436
"1125479"	123.990768	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2Na"	45.978436
"1405722"	82.9962706666667	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H+2Na"	46.985712
"1438935"	249.015846	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H+HCOOH"	47.012746
"226445"	230.02534	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+3H2O+2H"	56.04448
"1515235"	263.06789	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+IsoProp+H"	61.06479
"416378"	232.979288	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+Na+K"	61.952376
"776277"	333.980838	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+Na+K"	61.952376
"1672604"	131.977738	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Na+K"	61.952376
"255478"	468.021968	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+ACN+Na"	64.015768
"1229279"	266.018868	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+ACN+Na"	64.015768
"1719985"	266.042393	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+NH4+HCOOH"	64.039293
"1184980"	90.3235846666667	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+3Na"	68.967654
"1655968"	270.997788	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Na+HCOOH"	68.994688
"161732"	480.92524	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+2K-H"	76.91904
"606781"	682.92834	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+2K-H"	76.91904
"1094574"	278.92214	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2K-H"	76.91904
"151389"	240.966258	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"2M+2K"	77.926316
"590947"	341.967808	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"3M+2K"	77.926316
"1082633"	139.964708	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2K"	77.926316
"1113046"	280.936692	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2K+H"	78.933592
"1348335"	281.024307	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+DMSO+H"	79.021207
"1020033"	285.063476	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2ACN+H"	83.060376
"1534997"	286.057108	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+IsoProp+Na+H"	84.054008
"998162"	143.035376	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+2ACN+2H"	84.067652
"1593759"	286.971728	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+K+HCOOH"	84.968628
"1424887"	317.003238	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+H+CF3COOH"	115.000138
"1155177"	163.548651	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+3ACN+2H"	125.094202
"1699623"	334.029785	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+NH4+CF3COOH"	132.026685
"1641472"	338.98518	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+Na+CF3COOH"	136.98208
"1578217"	354.95912	"C06206"	"Benzoyl phosphate"	"C7H7O5P"	"202.0031"	"M+K+CF3COOH"	152.95602
"811863"	168.0423	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M"	0
"982115"	149.02391	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"76555"	111.020924	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"512109"	167.035024	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"892826"	55.006824	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"10673"	167.035024	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"451328"	251.056174	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"824754"	83.013874	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"89122"	335.077324	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"529775"	503.119624	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"909647"	167.035024	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"60861"	352.103871	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"497140"	520.146171	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"872757"	184.061571	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"39564"	357.059266	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"486912"	525.101566	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"860212"	189.016966	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1630840"	189.016966	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"100809"	185.023363	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"548022"	269.044513	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"941537"	101.002213	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"280466"	371.054002	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"673860"	539.096302	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1287356"	203.011702	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"30030"	373.033206	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"461569"	541.075506	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"838276"	204.990906	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1561763"	204.990906	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"949649"	213.040494	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"368958"	381.082801	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"348099"	395.098451	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1496567"	227.056151	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"959124"	235.022451	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"123596"	203.011702	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"564248"	287.032852	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1030860"	118.990552	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1252627"	246.961185	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1316169"	249.017172	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1328204"	270.999129	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"923630"	281.027886	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1293776"	317.004564	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1368292"	133.029624	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1383602"	151.0396	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"284012"	337.091876	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"680814"	505.134176	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1352059"	169.049576	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"127130"	169.049576	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"568877"	253.070726	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1040958"	85.028426	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"207403"	113.035476	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"649152"	169.049576	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1164720"	57.021376	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"425442"	354.118423	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"794475"	522.160723	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1690805"	186.076123	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"340176"	177.5628495	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"730409"	261.5839995	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1490434"	93.5416995	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"408020"	359.073818	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"766098"	527.116118	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1612008"	191.031518	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"323135"	180.040547	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"721401"	264.061697	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1475827"	96.019397	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1067006"	64.34869	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1269775"	201.075786	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"392760"	375.047758	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"754014"	543.090058	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1555049"	207.005458	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"311860"	188.027517	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"703187"	272.048667	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1458102"	104.006367	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"251040"	378.118426	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1224391"	210.076126	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1203291"	105.541701	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"199439"	381.05576	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"637909"	549.09806	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1139592"	213.01346	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"176685"	191.031518	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"616975"	275.052668	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1125589"	107.010368	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1405832"	71.676004	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1440137"	215.055046	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"227648"	196.06454	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1516803"	229.10709	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"416488"	199.018488	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"773472"	283.039638	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1672713"	114.997338	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"255953"	400.100368	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1230483"	232.058068	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1720824"	232.081593	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1183267"	79.003318	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1652069"	237.036988	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"161841"	413.00364	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"605798"	581.04594	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1092496"	244.96134	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"150406"	207.005458	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"591057"	291.026608	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1081042"	122.984308	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1110970"	246.975892	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1347352"	247.063507	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1020882"	251.102676	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1537294"	252.096308	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"997179"	126.054976	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1593869"	253.010928	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1421717"	283.042438	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1154194"	146.568251	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1701555"	300.068985	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1641582"	305.02438	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1576140"	320.99832	"C06207"	"26-Dihydroxyphenylacetate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"811973"	156.0423	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M"	0
"982225"	137.02391	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"76665"	103.020924	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"512219"	155.035024	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"890020"	51.006824	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"7503"	155.035024	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"441596"	233.056174	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"823770"	77.013874	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"84857"	311.077324	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"527698"	467.119624	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"907690"	155.035024	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"56597"	328.103871	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"495063"	484.146171	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"870680"	172.061571	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"34569"	333.059266	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"486858"	489.101566	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"857042"	177.016966	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1624389"	177.016966	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"97637"	173.023363	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"538291"	251.044513	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"935086"	95.002213	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"278017"	347.054002	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"666064"	503.096302	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1284303"	191.011702	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"25400"	349.033206	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"459491"	505.075506	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"837292"	192.990906	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1556038"	192.990906	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"947573"	201.040494	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"365786"	357.082801	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"346022"	371.098451	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1493272"	215.056151	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"959232"	223.022451	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"124071"	191.011702	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"564358"	269.032852	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1030970"	112.990552	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1253830"	234.961185	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1311904"	237.017172	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1329407"	258.999129	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"924834"	269.027886	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1295344"	305.004564	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1376422"	121.029624	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1383060"	139.0396	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"283193"	313.091876	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"677274"	469.134176	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1353255"	157.049576	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"127969"	157.049576	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"569717"	235.070726	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1040339"	79.028426	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"206418"	105.035476	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"646709"	157.049576	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1165559"	53.021376	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"425915"	330.118423	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"790207"	486.160723	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1683985"	174.076123	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"330192"	165.5628495	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"723951"	243.5839995	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1481056"	87.5416995	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"393296"	335.073818	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"754285"	491.116118	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1602854"	179.031518	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"323244"	168.040547	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"721876"	246.061697	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1476668"	90.019397	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1066752"	60.34869	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1268792"	189.075786	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"392607"	351.047758	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"754086"	507.090058	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1555038"	195.005458	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"310513"	176.027517	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"703662"	254.048667	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1460400"	98.006367	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"249732"	354.118426	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1223894"	198.076126	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1204495"	99.541701	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"199187"	357.05576	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"638019"	513.09806	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1143349"	201.01346	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"181534"	179.031518	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"621094"	257.052668	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1125336"	101.010368	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1405942"	67.676004	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1440613"	203.055046	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"228851"	184.06454	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1513632"	217.10709	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"412225"	187.018488	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"772125"	265.039638	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1672824"	108.997338	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"258613"	376.100368	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1231321"	220.058068	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1722027"	220.081593	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1183743"	75.003318	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1656184"	225.036988	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"166322"	389.00364	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"609189"	545.04594	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1094794"	232.96134	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"155985"	195.005458	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"590075"	273.026608	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1082245"	116.984308	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1109986"	234.975892	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1346369"	235.063507	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1021069"	239.102676	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1537404"	240.096308	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"1002756"	120.054976	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1592885"	241.010928	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1420734"	271.042438	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1154304"	140.568251	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1699843"	288.068985	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1641692"	293.02438	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1575157"	308.99832	"C06210"	"2-Hydroxy-6-keto-24-heptadienoate;2-Hydroxy-6-oxo-hept-24-dienoate"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"808807"	190.1106	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M"	0
"988173"	171.09221	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-H2O-H"	-19.01839
"76051"	125.733124	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M-3H"	-3.021828
"516706"	189.103324	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M-3H"	-3.021828
"890131"	62.362924	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-3H"	-3.021828
"5429"	189.103324	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M-2H"	-2.014552
"447176"	284.158624	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M-2H"	-2.014552
"823883"	94.048024	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-2H"	-2.014552
"89345"	379.213924	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M-H"	-1.007276
"528903"	569.324524	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M-H"	-1.007276
"908894"	189.103324	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-H"	-1.007276
"55614"	396.240471	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M-2H+NH4"	16.019271
"497360"	586.351071	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M-2H+NH4"	16.019271
"869697"	206.129871	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-2H+NH4"	16.019271
"46349"	401.195866	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M-2H+Na"	20.974666
"484455"	591.306466	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M-2H+Na"	20.974666
"860435"	211.085266	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-2H+Na"	20.974666
"1624499"	211.085266	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Na-2H"	20.974666
"94547"	207.091663	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M-H+Cl"	33.962126
"538401"	302.146963	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M-H+Cl"	33.962126
"931916"	112.036363	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-H+Cl"	33.962126
"272659"	415.190602	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+Cl"	34.969402
"669456"	605.301202	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+Cl"	34.969402
"1280765"	225.080002	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Cl"	34.969402
"24416"	417.169806	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M-2H+K"	36.948606
"460694"	607.280406	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M-2H+K"	36.948606
"837402"	227.059206	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-2H+K"	36.948606
"1558336"	227.059206	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+K-2H"	36.948606
"945495"	235.108794	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-H+HCOOH"	44.998194
"365896"	425.219401	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+HCOOH-H"	44.998201
"350873"	439.235051	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+Hac-H"	59.013851
"1494599"	249.124451	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Hac-H"	59.013851
"959099"	257.090751	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-H+NaCOOH"	66.980151
"124909"	225.080002	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+2Cl"	69.938804
"563746"	320.135302	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+2Cl"	69.938804
"1035097"	130.024702	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2Cl"	69.938804
"1253940"	269.029485	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Br"	78.918885
"1312014"	271.085472	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Cl+HCOOH"	80.974872
"1328417"	293.067429	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Cl+NaCOOH"	102.956829
"924579"	303.096186	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M-H+CF3COOH"	112.985586
"1292902"	339.072864	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Cl+CF3COOH"	148.962264
"1376532"	155.097924	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H-2H2O"	-35.012676
"1383454"	173.1079	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H-H2O"	-17.0027
"284234"	381.228476	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+H"	1.007276
"678475"	571.339076	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+H"	1.007276
"1354825"	191.117876	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H"	1.007276
"129538"	191.117876	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+2H"	2.014552
"569463"	286.173176	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+2H"	2.014552
"1042999"	96.062576	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2H"	2.014552
"206165"	127.747676	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+3H"	3.021828
"646819"	191.117876	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+3H"	3.021828
"1167494"	64.377476	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+3H"	3.021828
"425540"	398.255023	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+NH4"	18.033823
"790317"	588.365623	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+NH4"	18.033823
"1684460"	208.144423	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+NH4"	18.033823
"331274"	199.6311495	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+H+NH4"	19.041099
"725154"	294.6864495	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+H+NH4"	19.041099
"1478247"	104.5758495	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H+NH4"	19.041099
"393483"	403.210418	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+Na"	22.989218
"754636"	593.321018	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+Na"	22.989218
"1603591"	213.099818	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Na"	22.989218
"318981"	202.108847	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+H+Na"	23.996494
"722713"	297.164147	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+H+Na"	23.996494
"1476413"	107.053547	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H+Na"	23.996494
"1068039"	71.70479	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2H+Na"	25.00377
"1268174"	223.144086	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+CH3OH+H"	33.033486
"392555"	419.184358	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+K"	38.963158
"753908"	609.294958	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+K"	38.963158
"1555567"	229.073758	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+K"	38.963158
"312811"	210.095817	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+H+K"	39.970434
"705109"	305.151117	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+H+K"	39.970434
"1460511"	115.040517	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H+K"	39.970434
"250083"	422.255026	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+ACN+H"	42.033826
"1222910"	232.144426	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+ACN+H"	42.033826
"1202419"	116.575851	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+ACN+2H"	43.041102
"197475"	425.19236	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+2Na-H"	44.97116
"637036"	615.30296	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+2Na-H"	44.97116
"1143701"	235.08176	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2Na-H"	44.97116
"181644"	213.099818	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+2Na"	45.978436
"619018"	308.155118	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+2Na"	45.978436
"1126539"	118.044518	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2Na"	45.978436
"1406052"	79.032104	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H+2Na"	46.985712
"1440723"	237.123346	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H+HCOOH"	47.012746
"228961"	218.13284	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+3H2O+2H"	56.04448
"1515930"	251.17539	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+IsoProp+H"	61.06479
"417438"	221.086788	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+Na+K"	61.952376
"771870"	316.142088	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+Na+K"	61.952376
"1672934"	126.031488	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Na+K"	61.952376
"257630"	444.236968	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+ACN+Na"	64.015768
"1235439"	254.126368	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+ACN+Na"	64.015768
"1722137"	254.149893	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+NH4+HCOOH"	64.039293
"1183489"	86.359418	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+3Na"	68.967654
"1655201"	259.105288	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Na+HCOOH"	68.994688
"165338"	457.14024	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+2K-H"	76.91904
"611122"	647.25084	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+2K-H"	76.91904
"1094904"	267.02964	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2K-H"	76.91904
"152815"	229.073758	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"2M+2K"	77.926316
"591278"	324.129058	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"3M+2K"	77.926316
"1082355"	134.018458	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2K"	77.926316
"1110096"	269.044192	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2K+H"	78.933592
"1344290"	269.131807	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+DMSO+H"	79.021207
"1021012"	273.170976	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2ACN+H"	83.060376
"1532046"	274.164608	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+IsoProp+Na+H"	84.054008
"997399"	137.089126	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+2ACN+2H"	84.067652
"1592997"	275.079228	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+K+HCOOH"	84.968628
"1420843"	305.110738	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+H+CF3COOH"	115.000138
"1149674"	157.602401	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+3ACN+2H"	125.094202
"1702872"	322.137285	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+NH4+CF3COOH"	132.026685
"1641802"	327.09268	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+Na+CF3COOH"	136.98208
"1575267"	343.06662	"C06212"	"N-Methylserotonin"	"C11H14N2O"	"190.1106"	"M+K+CF3COOH"	152.95602
"812193"	174.1157	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M"	0
"988644"	155.09731	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-H2O-H"	-19.01839
"75063"	115.069857333333	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M-3H"	-3.021828
"517904"	173.108424	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M-3H"	-3.021828
"890241"	57.0312906666667	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-3H"	-3.021828
"13193"	173.108424	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M-2H"	-2.014552
"451660"	260.166274	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M-2H"	-2.014552
"823993"	86.050574	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-2H"	-2.014552
"88362"	347.224124	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M-H"	-1.007276
"527920"	521.339824	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M-H"	-1.007276
"905724"	173.108424	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-H"	-1.007276
"54630"	364.250671	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M-2H+NH4"	16.019271
"496377"	538.366371	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M-2H+NH4"	16.019271
"869807"	190.134971	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-2H+NH4"	16.019271
"44274"	369.206066	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M-2H+Na"	20.974666
"484202"	543.321766	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M-2H+Na"	20.974666
"860544"	195.090366	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-2H+Na"	20.974666
"1630444"	195.090366	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Na-2H"	20.974666
"104420"	191.096763	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M-H+Cl"	33.962126
"545073"	278.154613	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M-H+Cl"	33.962126
"938587"	104.038913	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-H+Cl"	33.962126
"272769"	383.200802	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+Cl"	34.969402
"667377"	557.316502	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+Cl"	34.969402
"1280875"	209.085102	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Cl"	34.969402
"17962"	385.180006	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M-2H+K"	36.948606
"460805"	559.295706	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M-2H+K"	36.948606
"836419"	211.064306	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-2H+K"	36.948606
"1556987"	211.064306	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+K-2H"	36.948606
"946698"	219.113894	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-H+HCOOH"	44.998194
"364183"	393.229601	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+HCOOH-H"	44.998201
"346729"	407.245251	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+Hac-H"	59.013851
"1493981"	233.129551	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Hac-H"	59.013851
"958966"	241.095851	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-H+NaCOOH"	66.980151
"125018"	209.085102	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+2Cl"	69.938804
"562763"	296.142952	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+2Cl"	69.938804
"1035571"	122.027252	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2Cl"	69.938804
"1255143"	253.034585	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Br"	78.918885
"1313217"	255.090572	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Cl+HCOOH"	80.974872
"1329620"	277.072529	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Cl+NaCOOH"	102.956829
"923960"	287.101286	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M-H+CF3COOH"	112.985586
"1290825"	323.077964	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Cl+CF3COOH"	148.962264
"1367884"	139.103024	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H-2H2O"	-35.012676
"1384046"	157.113	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H-H2O"	-17.0027
"284706"	349.238676	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+H"	1.007276
"677491"	523.354376	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+H"	1.007276
"1352746"	175.122976	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H"	1.007276
"126366"	175.122976	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+2H"	2.014552
"568113"	262.180826	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+2H"	2.014552
"1039828"	88.065126	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2H"	2.014552
"206275"	117.084409333333	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+3H"	3.021828
"646564"	175.122976	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+3H"	3.021828
"1165782"	59.0458426666667	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+3H"	3.021828
"425528"	366.265223	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+NH4"	18.033823
"789697"	540.380923	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+NH4"	18.033823
"1684934"	192.149523	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+NH4"	18.033823
"332113"	183.6362495	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+H+NH4"	19.041099
"725263"	270.6940995	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+H+NH4"	19.041099
"1477992"	96.5783995	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H+NH4"	19.041099
"393997"	371.220618	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+Na"	22.989218
"754583"	545.336318	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+Na"	22.989218
"1604429"	197.104918	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Na"	22.989218
"321277"	186.113947	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+H+Na"	23.996494
"722508"	273.171797	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+H+Na"	23.996494
"1474092"	99.056097	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H+Na"	23.996494
"1066975"	66.3731566666667	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2H+Na"	25.00377
"1268648"	207.149186	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+CH3OH+H"	33.033486
"392094"	387.194558	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+K"	38.963158
"753697"	561.310258	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+K"	38.963158
"1555021"	213.078858	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+K"	38.963158
"313533"	194.100917	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+H+K"	39.970434
"705829"	281.158767	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+H+K"	39.970434
"1460138"	107.043067	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H+K"	39.970434
"250196"	390.265226	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+ACN+H"	42.033826
"1221927"	216.149526	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+ACN+H"	42.033826
"1202529"	108.578401	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+ACN+2H"	43.041102
"197585"	393.20256	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+2Na-H"	44.97116
"638239"	567.31826	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+2Na-H"	44.97116
"1142839"	219.08686	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2Na-H"	44.97116
"181754"	197.104918	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+2Na"	45.978436
"619128"	284.162768	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+2Na"	45.978436
"1126649"	110.047068	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2Na"	45.978436
"1406162"	73.7004706666667	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H+2Na"	46.985712
"1441929"	221.128446	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H+HCOOH"	47.012746
"229071"	202.13794	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+3H2O+2H"	56.04448
"1517133"	235.18049	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+IsoProp+H"	61.06479
"420098"	205.091888	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+Na+K"	61.952376
"772345"	292.149738	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+Na+K"	61.952376
"1669765"	118.034038	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Na+K"	61.952376
"257376"	412.247168	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+ACN+Na"	64.015768
"1234455"	238.131468	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+ACN+Na"	64.015768
"1721518"	238.154993	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+NH4+HCOOH"	64.039293
"1184324"	81.0277846666667	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+3Na"	68.967654
"1656404"	243.110388	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Na+HCOOH"	68.994688
"162169"	425.15044	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+2K-H"	76.91904
"609409"	599.26614	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+2K-H"	76.91904
"1091734"	251.03474	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2K-H"	76.91904
"151831"	213.078858	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"2M+2K"	77.926316
"590294"	300.136708	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"3M+2K"	77.926316
"1082344"	126.021008	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2K"	77.926316
"1110206"	253.049292	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2K+H"	78.933592
"1345493"	253.136907	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+DMSO+H"	79.021207
"1015126"	257.176076	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2ACN+H"	83.060376
"1531063"	258.169708	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+IsoProp+Na+H"	84.054008
"999697"	129.091676	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+2ACN+2H"	84.067652
"1597483"	259.084328	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+K+HCOOH"	84.968628
"1423141"	289.115838	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+H+CF3COOH"	115.000138
"1152337"	149.604951	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+3ACN+2H"	125.094202
"1708450"	306.142385	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+NH4+CF3COOH"	132.026685
"1640819"	311.09778	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+Na+CF3COOH"	136.98208
"1575377"	327.07172	"C06213"	"N-Methyltryptamine;N-Methylindoleethylamine;1-Methyl-2-(3-indolyl)ethylamine"	"C11H14N2"	"174.1157"	"M+K+CF3COOH"	152.95602
"816684"	1152.3803	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M"	0
"985838"	1133.36191	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-H2O-H"	-19.01839
"71894"	767.246257333333	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M-3H"	-3.021828
"516924"	1151.373024	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M-3H"	-3.021828
"890352"	383.119490666667	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-3H"	-3.021828
"13302"	1151.373024	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M-2H"	-2.014552
"450674"	1727.563174	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M-2H"	-2.014552
"825196"	575.182874	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-2H"	-2.014552
"87376"	2303.753324	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M-H"	-1.007276
"532406"	3456.133624	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M-H"	-1.007276
"909115"	1151.373024	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-H"	-1.007276
"58021"	2320.779871	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M-2H+NH4"	16.019271
"494303"	3473.160171	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M-2H+NH4"	16.019271
"866637"	1168.399571	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-2H+NH4"	16.019271
"44753"	2325.735266	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M-2H+Na"	20.974666
"482855"	3478.115566	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M-2H+Na"	20.974666
"858469"	1173.354966	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-2H+Na"	20.974666
"1628001"	1173.354966	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Na-2H"	20.974666
"104530"	1169.361363	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M-H+Cl"	33.962126
"545182"	1745.551513	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M-H+Cl"	33.962126
"938695"	593.171213	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-H+Cl"	33.962126
"272879"	2339.730002	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+Cl"	34.969402
"669673"	3492.110302	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+Cl"	34.969402
"1278794"	1187.349702	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Cl"	34.969402
"20260"	2341.709206	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M-2H+K"	36.948606
"463102"	3494.089506	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M-2H+K"	36.948606
"835436"	1189.328906	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-2H+K"	36.948606
"1565486"	1189.328906	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+K-2H"	36.948606
"946810"	1197.378494	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-H+HCOOH"	44.998194
"366116"	2349.758801	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+HCOOH-H"	44.998201
"348540"	2363.774451	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+Hac-H"	59.013851
"1496279"	1211.394151	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Hac-H"	59.013851
"972582"	1219.360451	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-H+NaCOOH"	66.980151
"123676"	1187.349702	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+2Cl"	69.938804
"561779"	1763.539852	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+2Cl"	69.938804
"1035678"	611.159552	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2Cl"	69.938804
"1254891"	1231.299185	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Br"	78.918885
"1318433"	1233.355172	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Cl+HCOOH"	80.974872
"1331920"	1255.337129	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Cl+NaCOOH"	102.956829
"918603"	1265.365886	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M-H+CF3COOH"	112.985586
"1292759"	1301.342564	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Cl+CF3COOH"	148.962264
"1368001"	1117.367624	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H-2H2O"	-35.012676
"1385136"	1135.3776	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H-H2O"	-17.0027
"284456"	2305.767876	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+H"	1.007276
"675898"	3458.148176	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+H"	1.007276
"1353948"	1153.387576	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H"	1.007276
"129031"	1153.387576	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+2H"	2.014552
"566402"	1729.577726	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+2H"	2.014552
"1038853"	577.197426	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2H"	2.014552
"206021"	769.260809333333	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+3H"	3.021828
"646674"	1153.387576	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+3H"	3.021828
"1164801"	385.134042666667	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+3H"	3.021828
"428448"	2322.794423	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+NH4"	18.033823
"787617"	3475.174723	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+NH4"	18.033823
"1684675"	1170.414123	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+NH4"	18.033823
"331491"	1161.9008495	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+H+NH4"	19.041099
"724642"	1738.0909995	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+H+NH4"	19.041099
"1478102"	585.7106995	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H+NH4"	19.041099
"393375"	2327.749818	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+Na"	22.989218
"756687"	3480.130118	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+Na"	22.989218
"1611353"	1175.369518	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Na"	22.989218
"322485"	1164.378547	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+H+Na"	23.996494
"721975"	1740.568697	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+H+Na"	23.996494
"1475799"	588.188397	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H+Na"	23.996494
"1067455"	392.461356666667	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2H+Na"	25.00377
"1272177"	1185.413786	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+CH3OH+H"	33.033486
"392169"	2343.723758	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+K"	38.963158
"753566"	3496.104058	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+K"	38.963158
"1555096"	1191.343458	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+K"	38.963158
"313770"	1172.365517	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+H+K"	39.970434
"705092"	1748.555667	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+H+K"	39.970434
"1460253"	596.175367	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H+K"	39.970434
"250181"	2346.794426	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+ACN+H"	42.033826
"1224470"	1194.414126	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+ACN+H"	42.033826
"1203733"	597.710701	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+ACN+2H"	43.041102
"203047"	2349.73176	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+2Na-H"	44.97116
"642973"	3502.11206	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+2Na-H"	44.97116
"1142951"	1197.35146	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2Na-H"	44.97116
"180774"	1175.369518	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+2Na"	45.978436
"626173"	1751.559668	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+2Na"	45.978436
"1129555"	599.179368	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2Na"	45.978436
"1411748"	399.788670666667	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H+2Na"	46.985712
"1443131"	1199.393046	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H+HCOOH"	47.012746
"233554"	1180.40254	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+3H2O+2H"	56.04448
"1517243"	1213.44509	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+IsoProp+H"	61.06479
"412554"	1183.356488	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+Na+K"	61.952376
"776826"	1759.546638	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+Na+K"	61.952376
"1673156"	607.166338	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Na+K"	61.952376
"254208"	2368.776368	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+ACN+Na"	64.015768
"1230198"	1216.396068	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+ACN+Na"	64.015768
"1719085"	1216.419593	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+NH4+HCOOH"	64.039293
"1182253"	407.115984666667	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+3Na"	68.967654
"1653237"	1221.374988	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Na+HCOOH"	68.994688
"172636"	2381.67964	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+2K-H"	76.91904
"610621"	3534.05994	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+2K-H"	76.91904
"1099386"	1229.29934	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2K-H"	76.91904
"155828"	1191.343458	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"2M+2K"	77.926316
"595756"	1767.533608	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"3M+2K"	77.926316
"1082454"	615.153308	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2K"	77.926316
"1115177"	1231.313892	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2K+H"	78.933592
"1345614"	1231.401507	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+DMSO+H"	79.021207
"1016330"	1235.440676	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2ACN+H"	83.060376
"1533361"	1236.434308	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+IsoProp+Na+H"	84.054008
"997621"	618.223976	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+2ACN+2H"	84.067652
"1601965"	1237.348928	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+K+HCOOH"	84.968628
"1428719"	1267.380438	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+H+CF3COOH"	115.000138
"1156820"	638.737251	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+3ACN+2H"	125.094202
"1706369"	1284.406985	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+NH4+CF3COOH"	132.026685
"1642022"	1289.36238	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+Na+CF3COOH"	136.98208
"1574394"	1305.33632	"C06216"	"Celloheptaose"	"C42H72O36"	"1152.3803"	"M+K+CF3COOH"	152.95602
"815695"	990.3275	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M"	0
"984855"	971.30911	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-H2O-H"	-19.01839
"75284"	659.211057333333	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M-3H"	-3.021828
"513754"	989.320224	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M-3H"	-3.021828
"887180"	329.101890666667	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-3H"	-3.021828
"7943"	989.320224	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M-2H"	-2.014552
"449691"	1484.483974	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M-2H"	-2.014552
"826400"	494.156474	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-2H"	-2.014552
"88580"	1979.647724	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M-H"	-1.007276
"525953"	2969.975224	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M-H"	-1.007276
"909225"	989.320224	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-H"	-1.007276
"55945"	1996.674271	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M-2H+NH4"	16.019271
"501706"	2987.001771	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M-2H+NH4"	16.019271
"875495"	1006.346771	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-2H+NH4"	16.019271
"42311"	2001.629666	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M-2H+Na"	20.974666
"475311"	2991.957166	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M-2H+Na"	20.974666
"856392"	1011.302166	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-2H+Na"	20.974666
"1631391"	1011.302166	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Na-2H"	20.974666
"106827"	1007.308563	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M-H+Cl"	33.962126
"542013"	1502.472313	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M-H+Cl"	33.962126
"931152"	512.144813	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-H+Cl"	33.962126
"274084"	2015.624402	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+Cl"	34.969402
"664318"	3005.951902	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+Cl"	34.969402
"1280001"	1025.296902	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Cl"	34.969402
"21463"	2017.603606	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M-2H+K"	36.948606
"465399"	3007.931106	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M-2H+K"	36.948606
"837367"	1027.276106	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-2H+K"	36.948606
"1561225"	1027.276106	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+K-2H"	36.948606
"950199"	1035.325694	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-H+HCOOH"	44.998194
"366590"	2025.653201	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+HCOOH-H"	44.998201
"350472"	2039.668851	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+Hac-H"	59.013851
"1495294"	1049.341351	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Hac-H"	59.013851
"971232"	1057.307651	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-H+NaCOOH"	66.980151
"120866"	1025.296902	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+2Cl"	69.938804
"562616"	1520.460652	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+2Cl"	69.938804
"1033599"	530.133152	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2Cl"	69.938804
"1253178"	1069.246385	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Br"	78.918885
"1312346"	1071.302372	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Cl+HCOOH"	80.974872
"1325470"	1093.284329	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Cl+NaCOOH"	102.956829
"918713"	1103.313086	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M-H+CF3COOH"	112.985586
"1292869"	1139.289764	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Cl+CF3COOH"	148.962264
"1368111"	955.314824	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H-2H2O"	-35.012676
"1385246"	973.3248	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H-H2O"	-17.0027
"284202"	1981.662276	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+H"	1.007276
"678440"	2971.989776	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+H"	1.007276
"1353330"	991.334776	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H"	1.007276
"129141"	991.334776	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+2H"	2.014552
"567970"	1486.498526	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+2H"	2.014552
"1041147"	496.171026	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2H"	2.014552
"207588"	661.225609333333	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+3H"	3.021828
"647512"	991.334776	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+3H"	3.021828
"1165640"	331.116442666667	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+3H"	3.021828
"428558"	1998.688823	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+NH4"	18.033823
"790647"	2989.016323	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+NH4"	18.033823
"1683692"	1008.361323	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+NH4"	18.033823
"332698"	999.8480495	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+H+NH4"	19.041099
"724752"	1495.0117995	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+H+NH4"	19.041099
"1478577"	504.6842995	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H+NH4"	19.041099
"393161"	2003.644218	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+Na"	22.989218
"757890"	2993.971718	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+Na"	22.989218
"1612556"	1013.316718	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Na"	22.989218
"322594"	1002.325747	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+H+Na"	23.996494
"720484"	1497.489497	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+H+Na"	23.996494
"1476260"	507.161997	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H+Na"	23.996494
"1067681"	338.443756666667	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2H+Na"	25.00377
"1272038"	1023.360986	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+CH3OH+H"	33.033486
"392072"	2019.618158	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+K"	38.963158
"753641"	3009.945658	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+K"	38.963158
"1555130"	1029.290658	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+K"	38.963158
"314172"	1010.312717	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+H+K"	39.970434
"705203"	1505.476467	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+H+K"	39.970434
"1460481"	515.148967	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H+K"	39.970434
"248347"	2022.688826	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+ACN+H"	42.033826
"1222149"	1032.361326	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+ACN+H"	42.033826
"1203842"	516.684301	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+ACN+2H"	43.041102
"203641"	2025.62616	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+2Na-H"	44.97116
"643202"	3015.95366	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+2Na-H"	44.97116
"1143061"	1035.29866	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2Na-H"	44.97116
"185258"	1013.316718	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+2Na"	45.978436
"624823"	1508.480468	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+2Na"	45.978436
"1126140"	518.152968	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2Na"	45.978436
"1406386"	345.771070666667	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H+2Na"	46.985712
"1442875"	1037.340246	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H+HCOOH"	47.012746
"232569"	1018.34974	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+3H2O+2H"	56.04448
"1517350"	1051.39229	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+IsoProp+H"	61.06479
"415941"	1021.303688	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+Na+K"	61.952376
"780215"	1516.467438	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+Na+K"	61.952376
"1671079"	526.139938	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Na+K"	61.952376
"254679"	2044.670768	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+ACN+Na"	64.015768
"1234682"	1054.343268	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+ACN+Na"	64.015768
"1717008"	1054.366793	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+NH4+HCOOH"	64.039293
"1183457"	353.098384666667	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+3Na"	68.967654
"1653711"	1059.322188	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Na+HCOOH"	68.994688
"168976"	2057.57404	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+2K-H"	76.91904
"610725"	3047.90154	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+2K-H"	76.91904
"1096329"	1067.24654	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2K-H"	76.91904
"152051"	1029.290658	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"2M+2K"	77.926316
"596352"	1524.454408	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"3M+2K"	77.926316
"1081592"	534.126908	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2K"	77.926316
"1111520"	1069.261092	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2K+H"	78.933592
"1348641"	1069.348707	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+DMSO+H"	79.021207
"1009880"	1073.387876	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2ACN+H"	83.060376
"1531286"	1074.381508	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+IsoProp+Na+H"	84.054008
"995547"	537.197576	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+2ACN+2H"	84.067652
"1600984"	1075.296128	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+K+HCOOH"	84.968628
"1426641"	1105.327638	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+H+CF3COOH"	115.000138
"1159119"	557.710851	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+3ACN+2H"	125.094202
"1706482"	1122.354185	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+NH4+CF3COOH"	132.026685
"1643227"	1127.30958	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+Na+CF3COOH"	136.98208
"1574504"	1143.28352	"C06217"	"Cellohexaose"	"C36H62O31"	"990.3275"	"M+K+CF3COOH"	152.95602
"812525"	828.2747	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M"	0
"982778"	809.25631	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-H2O-H"	-19.01839
"68833"	551.175857333333	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M-3H"	-3.021828
"507299"	827.267424	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M-3H"	-3.021828
"880069"	275.084290666667	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-3H"	-3.021828
"2220"	827.267424	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M-2H"	-2.014552
"445425"	1241.404774	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M-2H"	-2.014552
"820309"	413.130074	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-2H"	-2.014552
"87594"	1655.542124	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M-H"	-1.007276
"524970"	2483.816824	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M-H"	-1.007276
"899853"	827.267424	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-H"	-1.007276
"56055"	1672.568671	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M-2H+NH4"	16.019271
"493430"	2500.843371	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M-2H+NH4"	16.019271
"867582"	844.293971	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-2H+NH4"	16.019271
"41328"	1677.524066	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M-2H+Na"	20.974666
"474448"	2505.798766	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M-2H+Na"	20.974666
"852129"	849.249366	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-2H+Na"	20.974666
"1631501"	849.249366	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Na-2H"	20.974666
"106937"	845.255763	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M-H+Cl"	33.962126
"542122"	1259.393113	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M-H+Cl"	33.962126
"930169"	431.118413	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-H+Cl"	33.962126
"274193"	1691.518802	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+Cl"	34.969402
"665521"	2519.793502	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+Cl"	34.969402
"1278288"	863.244102	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Cl"	34.969402
"18292"	1693.498006	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M-2H+K"	36.948606
"456879"	2521.772706	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M-2H+K"	36.948606
"834560"	865.223306	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-2H+K"	36.948606
"1558048"	865.223306	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+K-2H"	36.948606
"943742"	873.272894	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-H+HCOOH"	44.998194
"361953"	1701.547601	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+HCOOH-H"	44.998201
"346080"	1715.563251	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+Hac-H"	59.013851
"1492881"	887.288551	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Hac-H"	59.013851
"970249"	895.254851	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-H+NaCOOH"	66.980151
"123893"	863.244102	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+2Cl"	69.938804
"563453"	1277.381452	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+2Cl"	69.938804
"1035168"	449.106752	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2Cl"	69.938804
"1253287"	907.193585	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Br"	78.918885
"1311363"	909.249572	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Cl+HCOOH"	80.974872
"1331043"	931.231529	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Cl+NaCOOH"	102.956829
"916271"	941.260286	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M-H+CF3COOH"	112.985586
"1290791"	977.236964	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Cl+CF3COOH"	148.962264
"1367857"	793.262024	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H-2H2O"	-35.012676
"1383893"	811.272	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H-H2O"	-17.0027
"284312"	1657.556676	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+H"	1.007276
"676363"	2485.831376	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+H"	1.007276
"1351985"	829.281976	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H"	1.007276
"126332"	829.281976	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+2H"	2.014552
"566624"	1243.419326	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+2H"	2.014552
"1040893"	415.144626	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2H"	2.014552
"205510"	553.190409333333	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+3H"	3.021828
"647258"	829.281976	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+3H"	3.021828
"1164293"	277.098842666667	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+3H"	3.021828
"427575"	1674.583223	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+NH4"	18.033823
"788934"	2502.857923	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+NH4"	18.033823
"1682830"	846.308523	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+NH4"	18.033823
"334629"	837.7952495	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+H+NH4"	19.041099
"726685"	1251.9325995	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+H+NH4"	19.041099
"1477592"	423.6578995	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H+NH4"	19.041099
"393355"	1679.538618	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+Na"	22.989218
"754956"	2507.813318	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+Na"	22.989218
"1602929"	851.263918	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Na"	22.989218
"318326"	840.272947	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+H+Na"	23.996494
"715125"	1254.410297	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+H+Na"	23.996494
"1476732"	426.135597	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H+Na"	23.996494
"1066570"	284.426156666667	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2H+Na"	25.00377
"1270446"	861.308186	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+CH3OH+H"	33.033486
"387928"	1695.512558	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+K"	38.963158
"751837"	2523.787258	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+K"	38.963158
"1554251"	867.237858	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+K"	38.963158
"313250"	848.259917	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+H+K"	39.970434
"704945"	1262.397267	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+H+K"	39.970434
"1459856"	434.122567	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H+K"	39.970434
"247362"	1698.583226	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+ACN+H"	42.033826
"1221162"	870.308526	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+ACN+H"	42.033826
"1202857"	435.657901	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+ACN+2H"	43.041102
"195729"	1701.52056	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+2Na-H"	44.97116
"636381"	2529.79526	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+2Na-H"	44.97116
"1140981"	873.24586	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2Na-H"	44.97116
"185368"	851.263918	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+2Na"	45.978436
"619463"	1265.401268	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+2Na"	45.978436
"1122970"	437.126568	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2Na"	45.978436
"1408683"	291.753470666667	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H+2Na"	46.985712
"1441891"	875.287446	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H+HCOOH"	47.012746
"232679"	856.29694	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+3H2O+2H"	56.04448
"1517460"	889.33949	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+IsoProp+H"	61.06479
"416052"	859.250888	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+Na+K"	61.952376
"777045"	1273.388238	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+Na+K"	61.952376
"1671189"	445.113538	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Na+K"	61.952376
"254425"	1720.565168	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+ACN+Na"	64.015768
"1233698"	892.290468	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+ACN+Na"	64.015768
"1717118"	892.313993	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+NH4+HCOOH"	64.039293
"1184661"	299.080784666667	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+3Na"	68.967654
"1651632"	897.269388	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Na+HCOOH"	68.994688
"170180"	1733.46844	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+2K-H"	76.91904
"611928"	2561.74314	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+2K-H"	76.91904
"1096439"	905.19374	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2K-H"	76.91904
"153254"	867.237858	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"2M+2K"	77.926316
"596706"	1281.375208	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"3M+2K"	77.926316
"1081702"	453.100508	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2K"	77.926316
"1111630"	907.208292	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2K+H"	78.933592
"1349479"	907.295907	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+DMSO+H"	79.021207
"1009991"	911.335076	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2ACN+H"	83.060376
"1531396"	912.328708	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+IsoProp+Na+H"	84.054008
"995657"	456.171176	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+2ACN+2H"	84.067652
"1600001"	913.243328	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+K+HCOOH"	84.968628
"1425658"	943.274838	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+H+CF3COOH"	115.000138
"1159229"	476.684451	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+3ACN+2H"	125.094202
"1706592"	960.301385	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+NH4+CF3COOH"	132.026685
"1644430"	965.25678	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+Na+CF3COOH"	136.98208
"1574614"	981.23072	"C06218"	"Cellopentaose"	"C30H52O26"	"828.2747"	"M+K+CF3COOH"	152.95602
"812635"	504.169	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M"	0
"982888"	485.15061	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"67850"	335.105390666667	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"507409"	503.161724	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"879976"	167.049057333333	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"1601"	503.161724	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"444441"	755.246224	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"817133"	251.077224	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"85517"	1007.330724	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"522893"	1511.499724	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"899599"	503.161724	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"56165"	1024.357271	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"493540"	1528.526271	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"865508"	520.188271	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"44356"	1029.312666	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"475530"	1533.481666	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"853332"	525.143666	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1632341"	525.143666	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"101580"	521.150063	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"538952"	773.234563	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"930279"	269.065563	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"274303"	1043.307402	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"666725"	1547.476402	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1280221"	539.138402	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"22776"	1045.286606	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"456868"	1549.455606	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"834670"	541.117606	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1556335"	541.117606	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"945310"	549.167194	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"362431"	1053.336201	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"345824"	1067.351851	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1492973"	563.182851	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"971087"	571.149151	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"123275"	539.138402	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"563563"	791.222902	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1035278"	287.053902	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1254492"	583.087885	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1313659"	585.143872	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1326781"	607.125829	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"916381"	617.154586	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1290537"	653.131264	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1370520"	469.156324	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1383030"	487.1663	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"285149"	1009.345276	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"676071"	1513.514276	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1351407"	505.176276	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"127171"	505.176276	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"567463"	757.260776	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1040269"	253.091776	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"205982"	337.119942666667	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"649553"	505.176276	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1165501"	169.063609333333	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"429870"	1026.371823	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"788680"	1530.540823	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1682823"	522.202823	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"330052"	513.6895495	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"723029"	765.7740495	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1477047"	261.6050495	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"393262"	1031.327218	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"754302"	1535.496218	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1603038"	527.158218	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"320624"	516.167247	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"713044"	768.251747	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1476354"	264.082747	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1065587"	176.390923333333	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1270921"	537.202486	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"391318"	1047.301158	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"752677"	1551.470158	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1555334"	543.132158	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"314223"	524.154217	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"706757"	776.238717	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1461215"	272.069717	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"247472"	1050.371826	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1222365"	546.202826	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1202968"	273.605051	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"196932"	1053.30916	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"635397"	1557.47816	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1136717"	549.14016	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"183657"	527.158218	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"618480"	779.242718	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1123080"	275.073718	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1409887"	183.718237333333	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1440908"	551.181746	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"232789"	532.19124	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1519757"	565.23379	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"416162"	535.145188	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"777155"	787.229688	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1669112"	283.060688	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"254170"	1072.353768	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1228342"	568.184768	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1716135"	568.208293	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1181491"	191.045551333333	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1651138"	573.163688	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"170290"	1085.25704	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"612678"	1589.42604	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1098615"	581.08804	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"155549"	543.132158	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"596696"	795.216658	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1081810"	291.047658	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1110647"	583.102592	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1350927"	583.190207	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1015568"	587.229376	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1530412"	588.223008	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"999047"	294.118326	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1600842"	589.137628	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1425769"	619.169138	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1160432"	314.631601	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1706702"	636.195685	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1644540"	641.15108	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1575817"	657.12502	"C06219"	"Cellotriose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"812745"	290.0403	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"980810"	271.02191	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"67960"	192.352924	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"507518"	289.033024	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"880082"	95.672824	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"1100"	289.033024	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"440215"	434.053174	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"817363"	144.012874	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"82345"	579.073324	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"523003"	869.113624	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"898616"	289.033024	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"50801"	596.099871	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"489640"	886.140171	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"866347"	306.059571	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"38266"	601.055266	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"473452"	891.095566	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"851618"	311.014966	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1627346"	311.014966	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"98770"	307.021363	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"534965"	452.041513	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"927832"	162.001213	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"270036"	615.050002	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"660633"	905.090302	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1273888"	325.009702	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"16319"	617.029206	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"455717"	907.069506	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"833150"	326.988906	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1555624"	326.988906	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"942835"	335.038494	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"361564"	625.078801	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"345765"	639.094451	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1493800"	349.054151	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"963901"	357.020451	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"117912"	325.009702	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"560753"	470.029852	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1027365"	179.989552	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1254235"	368.959185	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1314860"	371.015172	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1325069"	392.997129	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"917582"	403.025886	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1290646"	439.002564	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1367465"	255.027624	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1382968"	273.0376	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"282968"	581.087876	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"675847"	871.128176	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1351597"	291.047576	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"126186"	291.047576	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"566234"	436.067726	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1038188"	146.027426	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"206823"	194.367476	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"654035"	291.047576	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1164878"	97.687376	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"426698"	598.114423	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"787696"	888.154723	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1683297"	308.074123	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"334486"	299.5608495	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"723992"	444.5809995	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1477570"	154.5406995	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"393943"	603.069818	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"754933"	893.110118	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1604124"	313.029518	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"321826"	302.038547	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"713883"	447.058697	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1474642"	157.018397	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1066669"	105.01469	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1269570"	323.073786	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"390333"	619.043758	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"752417"	909.084058	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1553376"	329.003458	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"309458"	310.025517	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"706664"	455.045667	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1461012"	165.005367	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"247582"	622.114426	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1219195"	332.074126	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1203077"	166.540701	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"198134"	625.05176	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"632591"	915.09206	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1136096"	335.01146	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"183767"	313.029518	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"620778"	458.049668	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1123190"	168.009368	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1409633"	112.342004	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1439927"	337.053046	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"230714"	318.06254	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1518776"	351.10509	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"415180"	321.016488	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"777632"	466.036638	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1668130"	175.996338	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"254282"	644.096368	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1228086"	354.056068	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1715152"	354.079593	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1179778"	119.669318	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1652584"	359.034988	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"169305"	656.99964	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"611052"	947.03994	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1096655"	366.95934	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"151284"	329.003458	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"596075"	474.023608	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1081678"	183.983308	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1110757"	368.973892	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1349332"	369.061507	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1012397"	373.100676	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1529429"	374.094308	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"999157"	187.053976	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1600222"	375.008928	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1426972"	405.040438	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1158354"	207.567251	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1706812"	422.066985	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1644650"	427.02238	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1575927"	442.99632	"C06222"	"Sedoheptulose 1-phosphate;altro-Heptulose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"812857"	136.0524	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M"	0
"983110"	117.03401	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"65884"	89.694324	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"503452"	135.045124	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"880810"	44.343524	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"642"	135.045124	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"440527"	203.071324	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"819174"	67.018924	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"83548"	271.097524	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"528581"	407.149924	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"898727"	135.045124	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"48970"	288.124071	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"490479"	424.176471	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"877638"	152.071671	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"31550"	293.079466	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"473563"	429.131866	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"850271"	157.027066	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1623083"	157.027066	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"98516"	153.033463	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"535158"	221.059663	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"927495"	85.007263	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"267348"	307.074202	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"660049"	443.126602	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1272910"	171.021802	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"16554"	309.053406	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"455989"	445.105806	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"833671"	173.001006	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1555752"	173.001006	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"943338"	181.050594	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"361797"	317.103001	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"345855"	331.118651	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1494639"	195.066251	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"962916"	203.032551	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"121304"	171.021802	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"560865"	239.048002	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1030758"	102.995602	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1253252"	214.971285	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1313879"	217.027272	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1330280"	239.009229	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"917328"	249.037986	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1290756"	285.014664	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1367944"	101.039724	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1382840"	119.0497	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"283663"	273.112076	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"677423"	409.164476	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1351459"	137.059676	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"126175"	137.059676	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"566830"	205.085876	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1039026"	69.033476	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"208753"	91.708876	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"651960"	137.059676	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1164258"	46.358076	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"426809"	290.138623	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"788900"	426.191023	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1684500"	154.086223	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"333505"	145.5729495	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"729205"	213.5991495	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1479746"	77.5467495	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"396241"	295.094018	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"755409"	431.146418	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1603381"	159.041618	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"321937"	148.050647	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"714357"	216.076847	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1472565"	80.024447	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1065808"	53.68539	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1271498"	169.085886	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"390442"	311.067958	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"750340"	447.120358	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1551297"	175.015558	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"308473"	156.037617	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"705274"	224.063817	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1450343"	88.011417	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"243317"	314.138626	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1218209"	178.086226	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1206465"	89.546751	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"193871"	317.07596	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"631240"	453.12836	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1135841"	181.02356	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"175490"	159.041618	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"623075"	227.067818	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1124394"	91.015418	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1409015"	61.012704	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1438943"	183.065146	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"230824"	164.07464	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1516699"	197.11719	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"412011"	167.028588	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"777378"	235.054788	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1672613"	99.002388	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"255851"	336.120568	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1230020"	200.068168	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1714895"	200.091693	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1183168"	68.340018	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1653059"	205.047088	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"169415"	349.02384	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"608976"	485.07624	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1096766"	212.97144	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"150301"	175.015558	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"596184"	243.041758	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1080936"	106.989358	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1111960"	214.985992	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1350298"	215.073607	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1011413"	219.112776	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1529536"	220.106408	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"994892"	110.060026	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1595958"	221.021028	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1419430"	251.052538	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1156278"	130.573301	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1709114"	268.079085	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1644761"	273.03448	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1576037"	289.00842	"C06224"	"34-Dihydroxystyrene"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"812966"	740.2302	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M"	0
"981031"	721.21181	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-H2O-H"	-19.01839
"70365"	492.479524	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M-3H"	-3.021828
"507737"	739.222924	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M-3H"	-3.021828
"885544"	245.736124	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-3H"	-3.021828
"3024"	739.222924	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M-2H"	-2.014552
"441246"	1109.338024	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M-2H"	-2.014552
"826949"	369.107824	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-2H"	-2.014552
"93023"	1479.453124	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M-H"	-1.007276
"529784"	2219.683324	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M-H"	-1.007276
"902117"	739.222924	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-H"	-1.007276
"58686"	1496.479671	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M-2H+NH4"	16.019271
"500431"	2236.709871	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M-2H+NH4"	16.019271
"866214"	756.249471	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-2H+NH4"	16.019271
"35205"	1501.435066	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M-2H+Na"	20.974666
"473672"	2241.665266	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M-2H+Na"	20.974666
"851473"	761.204866	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-2H+Na"	20.974666
"1625379"	761.204866	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Na-2H"	20.974666
"97533"	757.211263	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M-H+Cl"	33.962126
"536000"	1127.326363	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M-H+Cl"	33.962126
"928418"	387.096163	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-H+Cl"	33.962126
"270257"	1515.429802	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+Cl"	34.969402
"663772"	2255.660002	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+Cl"	34.969402
"1279457"	775.199602	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Cl"	34.969402
"18730"	1517.409006	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M-2H+K"	36.948606
"458290"	2257.639206	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M-2H+K"	36.948606
"834026"	777.178806	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-2H+K"	36.948606
"1556172"	777.178806	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+K-2H"	36.948606
"942798"	785.228394	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-H+HCOOH"	44.998194
"361439"	1525.458601	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+HCOOH-H"	44.998201
"351025"	1539.474251	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+Hac-H"	59.013851
"1500590"	799.244051	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Hac-H"	59.013851
"965214"	807.210351	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-H+NaCOOH"	66.980151
"118498"	775.199602	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+2Cl"	69.938804
"558058"	1145.314702	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+2Cl"	69.938804
"1029773"	405.084502	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2Cl"	69.938804
"1250445"	819.149085	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Br"	78.918885
"1309980"	821.205072	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Cl+HCOOH"	80.974872
"1323829"	843.187029	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Cl+NaCOOH"	102.956829
"915982"	853.215786	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M-H+CF3COOH"	112.985586
"1290502"	889.192464	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Cl+CF3COOH"	148.962264
"1367081"	705.217524	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H-2H2O"	-35.012676
"1382755"	723.2275	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H-H2O"	-17.0027
"282836"	1481.467676	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+H"	1.007276
"675717"	2221.697876	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+H"	1.007276
"1351364"	741.237476	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H"	1.007276
"125804"	741.237476	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+2H"	2.014552
"566089"	1111.352576	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+2H"	2.014552
"1038042"	371.122376	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2H"	2.014552
"205092"	494.494076	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+3H"	3.021828
"645152"	741.237476	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+3H"	3.021828
"1164006"	247.750676	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+3H"	3.021828
"430201"	1498.494223	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+NH4"	18.033823
"786943"	2238.724423	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+NH4"	18.033823
"1682785"	758.264023	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+NH4"	18.033823
"331062"	749.7507495	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+H+NH4"	19.041099
"723119"	1119.8658495	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+H+NH4"	19.041099
"1479860"	379.6356495	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H+NH4"	19.041099
"393676"	1503.449618	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+Na"	22.989218
"755033"	2243.679818	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+Na"	22.989218
"1613107"	763.219418	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Na"	22.989218
"322047"	752.228447	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+H+Na"	23.996494
"722101"	1122.343547	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+H+Na"	23.996494
"1475953"	382.113347	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H+Na"	23.996494
"1067907"	255.07799	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2H+Na"	25.00377
"1269787"	773.263686	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+CH3OH+H"	33.033486
"392052"	1519.423558	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+K"	38.963158
"750449"	2259.653758	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+K"	38.963158
"1554569"	779.193358	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+K"	38.963158
"313774"	760.215417	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+H+K"	39.970434
"704288"	1130.330517	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+H+K"	39.970434
"1455919"	390.100317	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H+K"	39.970434
"245613"	1522.494226	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+ACN+H"	42.033826
"1220506"	782.264026	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+ACN+H"	42.033826
"1202207"	391.635651	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+ACN+2H"	43.041102
"195077"	1525.43156	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+2Na-H"	44.97116
"640105"	2265.66176	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+2Na-H"	44.97116
"1140332"	785.20136	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2Na-H"	44.97116
"184718"	763.219418	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+2Na"	45.978436
"623188"	1133.334518	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+2Na"	45.978436
"1122320"	393.104318	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2Na"	45.978436
"1401834"	262.405304	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H+2Na"	46.985712
"1441968"	787.242946	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H+HCOOH"	47.012746
"230934"	768.25244	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+3H2O+2H"	56.04448
"1515716"	801.29499	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+IsoProp+H"	61.06479
"416494"	771.206388	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+Na+K"	61.952376
"777488"	1141.321488	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+Na+K"	61.952376
"1667380"	401.091288	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Na+K"	61.952376
"253776"	1544.476168	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+ACN+Na"	64.015768
"1226854"	804.245968	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+ACN+Na"	64.015768
"1713794"	804.269493	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+NH4+HCOOH"	64.039293
"1181821"	269.732618	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+3Na"	68.967654
"1665095"	809.224888	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Na+HCOOH"	68.994688
"171598"	1557.37944	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+2K-H"	76.91904
"609085"	2297.60964	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+2K-H"	76.91904
"1096876"	817.14924	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2K-H"	76.91904
"155402"	779.193358	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"2M+2K"	77.926316
"596421"	1149.308458	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"3M+2K"	77.926316
"1081665"	409.078258	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2K"	77.926316
"1112806"	819.163792	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2K+H"	78.933592
"1342993"	819.251407	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+DMSO+H"	79.021207
"1013710"	823.290576	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2ACN+H"	83.060376
"1525517"	824.284208	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+IsoProp+Na+H"	84.054008
"991722"	412.148926	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+2ACN+2H"	84.067652
"1593880"	825.198828	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+K+HCOOH"	84.968628
"1426099"	855.230338	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+H+CF3COOH"	115.000138
"1157484"	432.662201	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+3ACN+2H"	125.094202
"1709224"	872.256885	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+NH4+CF3COOH"	132.026685
"1641591"	877.21228	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+Na+CF3COOH"	136.98208
"1576149"	893.18622	"C06228"	"Ferrichrome"	"C27H42FeN9O12"	"740.2302"	"M+K+CF3COOH"	152.95602
"813076"	433.942	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M"	0
"976768"	414.92361	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-H2O-H"	-19.01839
"66102"	288.287390666667	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M-3H"	-3.021828
"506754"	432.934724	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M-3H"	-3.021828
"881278"	143.640057333333	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-3H"	-3.021828
"2041"	432.934724	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M-2H"	-2.014552
"441113"	649.905724	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M-2H"	-2.014552
"827059"	215.963724	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-2H"	-2.014552
"93132"	866.876724	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M-H"	-1.007276
"529894"	1300.818724	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M-H"	-1.007276
"902227"	432.934724	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-H"	-1.007276
"52227"	883.903271	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M-2H+NH4"	16.019271
"500177"	1317.845271	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M-2H+NH4"	16.019271
"870697"	449.961271	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-2H+NH4"	16.019271
"36408"	888.858666	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M-2H+Na"	20.974666
"473782"	1322.800666	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M-2H+Na"	20.974666
"850124"	454.916666	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-2H+Na"	20.974666
"1620508"	454.916666	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Na-2H"	20.974666
"96550"	450.923063	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M-H+Cl"	33.962126
"535380"	667.894063	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M-H+Cl"	33.962126
"927556"	233.952063	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-H+Cl"	33.962126
"267934"	902.853402	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+Cl"	34.969402
"662789"	1336.795402	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+Cl"	34.969402
"1274098"	468.911402	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Cl"	34.969402
"18840"	904.832606	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M-2H+K"	36.948606
"457307"	1338.774606	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M-2H+K"	36.948606
"834135"	470.890606	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-2H+K"	36.948606
"1556202"	470.890606	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+K-2H"	36.948606
"943066"	478.940194	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-H+HCOOH"	44.998194
"362017"	912.882201	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+HCOOH-H"	44.998201
"352957"	926.897851	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+Hac-H"	59.013851
"1499239"	492.955851	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Hac-H"	59.013851
"965323"	500.922151	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-H+NaCOOH"	66.980151
"117515"	468.911402	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+2Cl"	69.938804
"554521"	685.882402	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+2Cl"	69.938804
"1025871"	251.940402	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2Cl"	69.938804
"1244356"	512.860885	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Br"	78.918885
"1308996"	514.916872	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Cl+HCOOH"	80.974872
"1324668"	536.898829	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Cl+NaCOOH"	102.956829
"916092"	546.927586	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M-H+CF3COOH"	112.985586
"1291341"	582.904264	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Cl+CF3COOH"	148.962264
"1367795"	398.929324	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H-2H2O"	-35.012676
"1382814"	416.9393	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H-H2O"	-17.0027
"282876"	868.891276	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+H"	1.007276
"675671"	1302.833276	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+H"	1.007276
"1352170"	434.949276	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H"	1.007276
"125912"	434.949276	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+2H"	2.014552
"566565"	651.920276	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+2H"	2.014552
"1038151"	217.978276	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2H"	2.014552
"205688"	290.301942666667	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+3H"	3.021828
"644532"	434.949276	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+3H"	3.021828
"1163388"	145.654609333333	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+3H"	3.021828
"425202"	885.917823	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+NH4"	18.033823
"786562"	1319.859823	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+NH4"	18.033823
"1682529"	451.975823	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+NH4"	18.033823
"331538"	443.4625495	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+H+NH4"	19.041099
"722829"	660.4335495	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+H+NH4"	19.041099
"1477539"	226.4915495	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H+NH4"	19.041099
"393544"	890.873218	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+Na"	22.989218
"756724"	1324.815218	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+Na"	22.989218
"1615404"	456.931218	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Na"	22.989218
"324345"	445.940247	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+H+Na"	23.996494
"722416"	662.911247	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+H+Na"	23.996494
"1476955"	228.969247	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H+Na"	23.996494
"1066760"	152.981923333333	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2H+Na"	25.00377
"1270989"	466.975486	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+CH3OH+H"	33.033486
"391392"	906.847158	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+K"	38.963158
"750560"	1340.789158	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+K"	38.963158
"1554436"	472.905158	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+K"	38.963158
"311976"	453.927217	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+H+K"	39.970434
"705856"	670.898217	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+H+K"	39.970434
"1456028"	236.956217	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H+K"	39.970434
"244629"	909.917826	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+ACN+H"	42.033826
"1220616"	475.975826	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+ACN+H"	42.033826
"1203411"	238.491551	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+ACN+2H"	43.041102
"196280"	912.85516	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+2Na-H"	44.97116
"633653"	1346.79716	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+2Na-H"	44.97116
"1137159"	478.91316	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2Na-H"	44.97116
"184828"	456.931218	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+2Na"	45.978436
"621110"	673.902218	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+2Na"	45.978436
"1125708"	239.960218	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2Na"	45.978436
"1407412"	160.309237333333	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H+2Na"	46.985712
"1439161"	480.954746	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H+HCOOH"	47.012746
"232137"	461.96424	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+3H2O+2H"	56.04448
"1516917"	495.00679	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+IsoProp+H"	61.06479
"414417"	464.918188	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+Na+K"	61.952376
"773225"	681.889188	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+Na+K"	61.952376
"1668464"	247.947188	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Na+K"	61.952376
"251439"	931.899768	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+ACN+Na"	64.015768
"1227083"	497.957768	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+ACN+Na"	64.015768
"1714392"	497.981293	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+NH4+HCOOH"	64.039293
"1179378"	167.636551333333	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+3Na"	68.967654
"1663867"	502.936688	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Na+HCOOH"	68.994688
"171705"	944.80304	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+2K-H"	76.91904
"612477"	1378.74504	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+2K-H"	76.91904
"1095893"	510.86104	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2K-H"	76.91904
"155878"	472.905158	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"2M+2K"	77.926316
"596815"	689.876158	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"3M+2K"	77.926316
"1083350"	255.934158	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2K"	77.926316
"1113278"	512.875592	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2K+H"	78.933592
"1343103"	512.963207	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+DMSO+H"	79.021207
"1014913"	517.002376	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2ACN+H"	83.060376
"1525262"	517.996008	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+IsoProp+Na+H"	84.054008
"991832"	259.004826	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+2ACN+2H"	84.067652
"1593990"	518.910628	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+K+HCOOH"	84.968628
"1422929"	548.942138	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+H+CF3COOH"	115.000138
"1155407"	279.518101	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+3ACN+2H"	125.094202
"1710063"	565.968685	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+NH4+CF3COOH"	132.026685
"1641701"	570.92408	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+Na+CF3COOH"	136.98208
"1576259"	586.89802	"C06229"	"Fe(III)dicitrate;Iron(III)dicitrate"	"(C6H5O7)2Fe"	"433.942"	"M+K+CF3COOH"	152.95602
"809906"	719.0322	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M"	0
"976878"	700.01381	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-H2O-H"	-19.01839
"66212"	478.347524	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M-3H"	-3.021828
"506864"	718.024924	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M-3H"	-3.021828
"880201"	238.670124	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-3H"	-3.021828
"1422"	718.024924	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M-2H"	-2.014552
"440737"	1077.541024	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M-2H"	-2.014552
"823889"	358.508824	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-2H"	-2.014552
"90448"	1437.057124	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M-H"	-1.007276
"526724"	2156.089324	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M-H"	-1.007276
"902337"	718.024924	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-H"	-1.007276
"49785"	1454.083671	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M-2H+NH4"	16.019271
"498830"	2173.115871	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M-2H+NH4"	16.019271
"870807"	735.051471	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-2H+NH4"	16.019271
"36518"	1459.039066	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M-2H+Na"	20.974666
"473163"	2178.071266	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M-2H+Na"	20.974666
"849871"	740.006866	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-2H+Na"	20.974666
"1619646"	740.006866	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Na-2H"	20.974666
"95930"	736.013263	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M-H+Cl"	33.962126
"535368"	1095.529363	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M-H+Cl"	33.962126
"927217"	376.497163	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-H+Cl"	33.962126
"267600"	1473.033802	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+Cl"	34.969402
"662899"	2192.066002	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+Cl"	34.969402
"1274329"	754.001602	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Cl"	34.969402
"17249"	1475.013006	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M-2H+K"	36.948606
"457417"	2194.045206	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M-2H+K"	36.948606
"835218"	755.980806	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-2H+K"	36.948606
"1555906"	755.980806	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+K-2H"	36.948606
"942948"	764.030394	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-H+HCOOH"	44.998194
"361613"	1483.062601	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+HCOOH-H"	44.998201
"352338"	1497.078251	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+Hac-H"	59.013851
"1498985"	778.046051	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Hac-H"	59.013851
"965069"	786.012351	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-H+NaCOOH"	66.980151
"118354"	754.001602	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+2Cl"	69.938804
"553903"	1113.517702	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+2Cl"	69.938804
"1025981"	394.485502	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2Cl"	69.938804
"1244831"	797.951085	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Br"	78.918885
"1309836"	800.007072	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Cl+HCOOH"	80.974872
"1324414"	821.989029	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Cl+NaCOOH"	102.956829
"916566"	832.017786	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M-H+CF3COOH"	112.985586
"1291816"	867.994464	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Cl+CF3COOH"	148.962264
"1367784"	684.019524	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H-2H2O"	-35.012676
"1383458"	702.0295	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H-H2O"	-17.0027
"282936"	1439.071676	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+H"	1.007276
"675968"	2158.103876	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+H"	1.007276
"1351918"	720.039476	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H"	1.007276
"125894"	720.039476	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+2H"	2.014552
"566556"	1079.555576	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+2H"	2.014552
"1038263"	360.523376	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2H"	2.014552
"206404"	480.362076	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+3H"	3.021828
"644643"	720.039476	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+3H"	3.021828
"1163497"	240.684676	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+3H"	3.021828
"424584"	1456.098223	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+NH4"	18.033823
"785984"	2175.130423	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+NH4"	18.033823
"1682270"	737.066023	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+NH4"	18.033823
"330103"	728.5527495	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+H+NH4"	19.041099
"722816"	1088.0688495	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+H+NH4"	19.041099
"1478256"	369.0366495	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H+NH4"	19.041099
"394384"	1461.053618	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+Na"	22.989218
"754646"	2180.085818	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+Na"	22.989218
"1613326"	742.021418	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Na"	22.989218
"324454"	731.030447	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+H+Na"	23.996494
"721871"	1090.546547	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+H+Na"	23.996494
"1476869"	371.514347	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H+Na"	23.996494
"1065048"	248.01199	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2H+Na"	25.00377
"1270006"	752.065686	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+CH3OH+H"	33.033486
"391866"	1477.027558	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+K"	38.963158
"750670"	2196.059758	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+K"	38.963158
"1554546"	757.995358	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+K"	38.963158
"310993"	739.017417	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+H+K"	39.970434
"701226"	1098.533517	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+H+K"	39.970434
"1455045"	379.501317	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H+K"	39.970434
"244738"	1480.098226	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+ACN+H"	42.033826
"1217447"	761.066026	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+ACN+H"	42.033826
"1201334"	381.036651	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+ACN+2H"	43.041102
"196390"	1483.03556	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+2Na-H"	44.97116
"634856"	2202.06776	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+2Na-H"	44.97116
"1138362"	764.00336	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2Na-H"	44.97116
"184938"	742.021418	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+2Na"	45.978436
"621220"	1101.537518	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+2Na"	45.978436
"1126913"	382.505318	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2Na"	45.978436
"1408615"	255.339304	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H+2Na"	46.985712
"1439273"	766.044946	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H+HCOOH"	47.012746
"232247"	747.05444	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+3H2O+2H"	56.04448
"1517027"	780.09699	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+IsoProp+H"	61.06479
"412340"	750.008388	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+Na+K"	61.952376
"775520"	1109.524488	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+Na+K"	61.952376
"1666378"	390.492288	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Na+K"	61.952376
"253991"	1502.080168	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+ACN+Na"	64.015768
"1225620"	783.047968	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+ACN+Na"	64.015768
"1714492"	783.071493	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+NH4+HCOOH"	64.039293
"1178758"	262.666618	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+3Na"	68.967654
"1652304"	788.026888	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Na+HCOOH"	68.994688
"171569"	1514.98344	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+2K-H"	76.91904
"611978"	2234.01564	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+2K-H"	76.91904
"1098190"	795.95124	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2K-H"	76.91904
"156754"	757.995358	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"2M+2K"	77.926316
"594569"	1117.511458	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"3M+2K"	77.926316
"1083662"	398.479258	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2K"	77.926316
"1113388"	797.965792	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2K+H"	78.933592
"1344306"	798.053407	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+DMSO+H"	79.021207
"1013930"	802.092576	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2ACN+H"	83.060376
"1525616"	803.086208	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+IsoProp+Na+H"	84.054008
"993035"	401.549926	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+2ACN+2H"	84.067652
"1595193"	804.000828	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+K+HCOOH"	84.968628
"1423039"	834.032338	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+H+CF3COOH"	115.000138
"1153330"	422.063201	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+3ACN+2H"	125.094202
"1710537"	851.058885	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+NH4+CF3COOH"	132.026685
"1641811"	856.01428	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+Na+CF3COOH"	136.98208
"1576369"	871.98822	"C06230"	"Fe-enterobactin;Fe-enterochlin"	"C30H21N3O15Fe"	"719.0322"	"M+K+CF3COOH"	152.95602
"810016"	142.0742	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M"	0
"980268"	123.05581	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-H2O-H"	-19.01839
"66322"	93.7088573333333	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M-3H"	-3.021828
"506974"	141.066924	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M-3H"	-3.021828
"880278"	46.3507906666667	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-3H"	-3.021828
"3354"	141.066924	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M-2H"	-2.014552
"440726"	212.104024	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M-2H"	-2.014552
"825092"	70.029824	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-2H"	-2.014552
"91287"	283.141124	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M-H"	-1.007276
"525741"	425.215324	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M-H"	-1.007276
"902447"	141.066924	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-H"	-1.007276
"51353"	300.167671	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M-2H+NH4"	16.019271
"497847"	442.241871	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M-2H+NH4"	16.019271
"873104"	158.093471	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-2H+NH4"	16.019271
"35535"	305.123066	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M-2H+Na"	20.974666
"472178"	447.197266	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M-2H+Na"	20.974666
"848528"	163.048866	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-2H+Na"	20.974666
"1618590"	163.048866	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Na-2H"	20.974666
"94389"	159.055263	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M-H+Cl"	33.962126
"534503"	230.092363	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M-H+Cl"	33.962126
"927898"	88.018163	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-H+Cl"	33.962126
"267670"	319.117802	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+Cl"	34.969402
"663010"	461.192002	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+Cl"	34.969402
"1274439"	177.043602	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Cl"	34.969402
"17967"	321.097006	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M-2H+K"	36.948606
"456188"	463.171206	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M-2H+K"	36.948606
"834234"	179.022806	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-2H+K"	36.948606
"1555892"	179.022806	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+K-2H"	36.948606
"942895"	187.072394	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-H+HCOOH"	44.998194
"361431"	329.146601	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+HCOOH-H"	44.998201
"348800"	343.162251	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+Hac-H"	59.013851
"1497638"	201.088051	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Hac-H"	59.013851
"964086"	209.054351	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-H+NaCOOH"	66.980151
"118464"	177.043602	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+2Cl"	69.938804
"554378"	248.080702	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+2Cl"	69.938804
"1023905"	106.006502	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2Cl"	69.938804
"1242755"	220.993085	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Br"	78.918885
"1308123"	223.049072	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Cl+HCOOH"	80.974872
"1325616"	245.031029	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Cl+NaCOOH"	102.956829
"915581"	255.059786	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M-H+CF3COOH"	112.985586
"1292290"	291.036464	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Cl+CF3COOH"	148.962264
"1367328"	107.061524	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H-2H2O"	-35.012676
"1382961"	125.0715	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H-H2O"	-17.0027
"283212"	285.155676	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+H"	1.007276
"675874"	427.229876	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+H"	1.007276
"1351495"	143.081476	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H"	1.007276
"127469"	143.081476	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+2H"	2.014552
"567152"	214.118576	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+2H"	2.014552
"1037891"	72.044376	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2H"	2.014552
"205791"	95.7234093333333	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+3H"	3.021828
"644874"	143.081476	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+3H"	3.021828
"1163727"	48.3653426666667	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+3H"	3.021828
"426873"	302.182223	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+NH4"	18.033823
"787148"	444.256423	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+NH4"	18.033823
"1682383"	160.108023	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+NH4"	18.033823
"330784"	151.5947495	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+H+NH4"	19.041099
"724058"	222.6318495	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+H+NH4"	19.041099
"1478366"	80.5576495	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H+NH4"	19.041099
"393398"	307.137618	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+Na"	22.989218
"754549"	449.211818	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+Na"	22.989218
"1615867"	165.063418	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Na"	22.989218
"323471"	154.072447	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+H+Na"	23.996494
"722428"	225.109547	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+H+Na"	23.996494
"1476530"	83.035347	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H+Na"	23.996494
"1065158"	55.6926566666667	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2H+Na"	25.00377
"1270116"	175.107686	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+CH3OH+H"	33.033486
"391610"	323.111558	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+K"	38.963158
"749687"	465.185758	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+K"	38.963158
"1553199"	181.037358	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+K"	38.963158
"308913"	162.059417	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+H+K"	39.970434
"699149"	233.096517	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+H+K"	39.970434
"1457341"	91.022317	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H+K"	39.970434
"245942"	326.182226	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+ACN+H"	42.033826
"1220835"	184.108026	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+ACN+H"	42.033826
"1206547"	92.557651	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+ACN+2H"	43.041102
"197594"	329.11956	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+2Na-H"	44.97116
"633873"	471.19376	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+2Na-H"	44.97116
"1140659"	187.04536	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2Na-H"	44.97116
"183955"	165.063418	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+2Na"	45.978436
"622424"	236.100518	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+2Na"	45.978436
"1127023"	94.026318	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2Na"	45.978436
"1409087"	63.0199706666667	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H+2Na"	46.985712
"1436101"	189.086946	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H+HCOOH"	47.012746
"229805"	170.09644	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+3H2O+2H"	56.04448
"1513857"	203.13899	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+IsoProp+H"	61.06479
"412450"	173.050388	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+Na+K"	61.952376
"775630"	244.087488	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+Na+K"	61.952376
"1665635"	102.013288	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Na+K"	61.952376
"254101"	348.164168	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+ACN+Na"	64.015768
"1229360"	206.089968	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+ACN+Na"	64.015768
"1713510"	206.113493	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+NH4+HCOOH"	64.039293
"1180684"	70.3472846666667	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+3Na"	68.967654
"1652051"	211.068888	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Na+HCOOH"	68.994688
"169858"	361.06744	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+2K-H"	76.91904
"612088"	503.14164	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+2K-H"	76.91904
"1098179"	218.99324	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2K-H"	76.91904
"152931"	181.037358	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"2M+2K"	77.926316
"592492"	252.074458	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"3M+2K"	77.926316
"1080284"	110.000258	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2K"	77.926316
"1113863"	221.007792	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2K+H"	78.933592
"1343324"	221.095407	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+DMSO+H"	79.021207
"1005814"	225.134576	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2ACN+H"	83.060376
"1524754"	226.128208	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+IsoProp+Na+H"	84.054008
"992052"	113.070926	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+2ACN+2H"	84.067652
"1593116"	227.042828	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+K+HCOOH"	84.968628
"1423149"	257.074338	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+H+CF3COOH"	115.000138
"1160000"	133.584201	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+3ACN+2H"	125.094202
"1711740"	274.100885	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+NH4+CF3COOH"	132.026685
"1641921"	279.05628	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+Na+CF3COOH"	136.98208
"1577572"	295.03022	"C06231"	"Ectoine;L-Ectoine"	"C6H10N2O2"	"142.0742"	"M+K+CF3COOH"	152.95602
"810126"	163.9007	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M"	0
"980378"	144.88231	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-H2O-H"	-19.01839
"72993"	108.259857333333	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M-3H"	-3.021828
"507086"	162.893424	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M-3H"	-3.021828
"885978"	53.6262906666667	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-3H"	-3.021828
"3461"	162.893424	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M-2H"	-2.014552
"441928"	244.843774	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M-2H"	-2.014552
"823015"	80.943074	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-2H"	-2.014552
"90668"	326.794124	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M-H"	-1.007276
"526944"	490.694824	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M-H"	-1.007276
"899278"	162.893424	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-H"	-1.007276
"55838"	343.820671	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M-2H+NH4"	16.019271
"496499"	507.721371	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M-2H+NH4"	16.019271
"873214"	179.919971	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-2H+NH4"	16.019271
"37832"	348.776066	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M-2H+Na"	20.974666
"471588"	512.676766	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M-2H+Na"	20.974666
"848708"	184.875366	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-2H+Na"	20.974666
"1618895"	184.875366	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Na-2H"	20.974666
"99068"	180.881763	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M-H+Cl"	33.962126
"535347"	262.832113	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M-H+Cl"	33.962126
"928861"	98.931413	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-H+Cl"	33.962126
"268023"	362.770802	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+Cl"	34.969402
"663118"	526.671502	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+Cl"	34.969402
"1274550"	198.870102	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Cl"	34.969402
"17225"	364.750006	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M-2H+K"	36.948606
"459823"	528.650706	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M-2H+K"	36.948606
"833735"	200.849306	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-2H+K"	36.948606
"1557831"	200.849306	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+K-2H"	36.948606
"943401"	208.898894	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-H+HCOOH"	44.998194
"361512"	372.799601	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+HCOOH-H"	44.998201
"350371"	386.815251	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+Hac-H"	59.013851
"1499570"	222.914551	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Hac-H"	59.013851
"962738"	230.880851	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-H+NaCOOH"	66.980151
"119667"	198.870102	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+2Cl"	69.938804
"554123"	280.820452	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+2Cl"	69.938804
"1024743"	116.919752	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2Cl"	69.938804
"1243957"	242.819585	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Br"	78.918885
"1313334"	244.875572	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Cl+HCOOH"	80.974872
"1321713"	266.857529	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Cl+NaCOOH"	102.956829
"916420"	276.886286	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M-H+CF3COOH"	112.985586
"1293130"	312.862964	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Cl+CF3COOH"	148.962264
"1368612"	128.888024	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H-2H2O"	-35.012676
"1384043"	146.898	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H-H2O"	-17.0027
"284457"	328.808676	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+H"	1.007276
"677974"	492.709376	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+H"	1.007276
"1351526"	164.907976	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H"	1.007276
"132322"	164.907976	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+2H"	2.014552
"567142"	246.858326	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+2H"	2.014552
"1038365"	82.957626	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2H"	2.014552
"205780"	110.274409333333	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+3H"	3.021828
"645960"	164.907976	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+3H"	3.021828
"1164084"	55.6408426666667	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+3H"	3.021828
"425772"	345.835223	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+NH4"	18.033823
"787253"	509.735923	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+NH4"	18.033823
"1683220"	181.934523	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+NH4"	18.033823
"330520"	173.4212495	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+H+NH4"	19.041099
"725383"	255.3715995	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+H+NH4"	19.041099
"1479934"	91.4708995	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H+NH4"	19.041099
"396424"	350.790618	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+Na"	22.989218
"756324"	514.691318	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+Na"	22.989218
"1614639"	186.889918	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Na"	22.989218
"325768"	175.898947	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+H+Na"	23.996494
"720763"	257.849297	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+H+Na"	23.996494
"1475183"	93.948597	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H+Na"	23.996494
"1065268"	62.9681566666667	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2H+Na"	25.00377
"1271080"	196.934186	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+CH3OH+H"	33.033486
"391845"	366.764558	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+K"	38.963158
"750892"	530.665258	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+K"	38.963158
"1554891"	202.863858	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+K"	38.963158
"311213"	183.885917	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+H+K"	39.970434
"704364"	265.836267	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+H+K"	39.970434
"1457819"	101.935567	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H+K"	39.970434
"246055"	369.835226	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+ACN+H"	42.033826
"1222042"	205.934526	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+ACN+H"	42.033826
"1206660"	103.470901	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+ACN+2H"	43.041102
"200984"	372.77256	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+2Na-H"	44.97116
"639450"	536.67326	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+2Na-H"	44.97116
"1137488"	208.87186	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2Na-H"	44.97116
"186748"	186.889918	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+2Na"	45.978436
"626669"	268.840268	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+2Na"	45.978436
"1127134"	104.939568	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2Na"	45.978436
"1411751"	70.2954706666667	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H+2Na"	46.985712
"1442407"	210.913446	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H+HCOOH"	47.012746
"232467"	191.92294	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+3H2O+2H"	56.04448
"1517247"	224.96549	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+IsoProp+H"	61.06479
"414746"	194.876888	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+Na+K"	61.952376
"772459"	276.827238	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+Na+K"	61.952376
"1667326"	112.926538	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Na+K"	61.952376
"256397"	391.817168	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+ACN+Na"	64.015768
"1229107"	227.916468	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+ACN+Na"	64.015768
"1713984"	227.939993	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+NH4+HCOOH"	64.039293
"1181523"	77.6227846666667	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+3Na"	68.967654
"1653254"	232.895388	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Na+HCOOH"	68.994688
"171057"	404.72044	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+2K-H"	76.91904
"610616"	568.62114	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+2K-H"	76.91904
"1097316"	240.81974	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2K-H"	76.91904
"154502"	202.863858	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"2M+2K"	77.926316
"593695"	284.814208	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"3M+2K"	77.926316
"1080394"	120.913508	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2K"	77.926316
"1112150"	242.834292	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2K+H"	78.933592
"1341246"	242.921907	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+DMSO+H"	79.021207
"1010870"	246.961076	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2ACN+H"	83.060376
"1527901"	247.954708	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+IsoProp+Na+H"	84.054008
"992163"	123.984176	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+2ACN+2H"	84.067652
"1592132"	248.869328	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+K+HCOOH"	84.968628
"1422164"	278.900838	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+H+CF3COOH"	115.000138
"1153548"	144.497451	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+3ACN+2H"	125.094202
"1702006"	295.927385	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+NH4+CF3COOH"	132.026685
"1635468"	300.88278	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+Na+CF3COOH"	136.98208
"1576589"	316.85672	"C06232"	"Molybdate"	"H2MoO4"	"163.9007"	"M+K+CF3COOH"	152.95602
"813516"	161.0688	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M"	0
"987048"	142.05041	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"74198"	106.371924	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"508290"	160.061524	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"882809"	52.682324	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"4665"	160.061524	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"440578"	240.595924	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"819110"	79.527124	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"88591"	321.130324	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"527787"	482.199124	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"900484"	160.061524	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"56682"	338.156871	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"495516"	499.225671	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"872231"	177.088071	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"37944"	343.112266	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"472158"	504.181066	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"849473"	182.043466	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1618755"	182.043466	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"100272"	178.049863	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"538737"	258.584263	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"931158"	97.515463	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"268986"	357.107002	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"660673"	518.175802	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1273809"	196.038202	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"19279"	359.086206	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"457259"	520.155006	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"835180"	198.017406	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1556846"	198.017406	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"944363"	206.066994	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"361971"	367.135801	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"349388"	381.151451	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1496764"	220.082651	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"961755"	228.048951	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"121235"	196.038202	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"557513"	276.572602	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1024124"	115.503802	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1244066"	239.987685	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1313444"	242.043672	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1320730"	264.025629	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"915437"	274.054386	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1292147"	310.031064	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1368480"	126.056124	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1384154"	144.0661	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"283714"	323.144876	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"676502"	484.213676	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1353341"	162.076076	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"130610"	162.076076	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"566888"	242.610476	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1037751"	81.541676	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"205164"	108.386476	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"644973"	162.076076	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1164195"	54.696876	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"424913"	340.171423	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"786637"	501.240223	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1682966"	179.102623	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"331730"	170.5893495	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"725129"	251.1237495	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1477492"	90.0549495	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"393623"	345.126818	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"755223"	506.195618	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1615842"	184.058018	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"322598"	173.067047	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"722208"	253.601447	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1475293"	92.532647	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1062099"	62.02419	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1271190"	194.102286	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"391233"	361.100758	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"753077"	522.169558	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1554400"	200.031958	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"313838"	181.054017	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"705204"	261.588417	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1457564"	100.519617	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"245072"	364.171426	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1219968"	203.102626	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1206768"	102.054951	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"200001"	367.10876	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"642483"	528.17756	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1143069"	206.03996	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"184180"	184.058018	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"622645"	264.592418	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1123963"	103.523618	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1410765"	69.351504	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1439603"	208.081546	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"224925"	189.09104	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1508609"	222.13359	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"410484"	192.044988	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"776945"	272.579388	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1667808"	111.510588	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"254326"	386.153368	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1227035"	225.084568	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1715918"	225.108093	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1180912"	76.678818	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1661023"	230.063488	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"170441"	399.05664	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"609633"	560.12544	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1094146"	237.98784	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"154612"	200.031958	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"593805"	280.566358	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1079414"	119.497558	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1112991"	240.002392	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1348282"	240.090007	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1008793"	244.129176	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1529105"	245.122808	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"990570"	122.568226	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1592242"	246.037428	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1423367"	276.068938	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1153657"	143.081501	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1704301"	293.095485	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1642140"	298.05088	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1576699"	314.02482	"C06234"	"4-Methyl-L-glutamate"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"813626"	230.0192	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"983878"	211.00081	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"73215"	152.338857333333	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"508400"	229.011924	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"885107"	75.6657906666667	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"1494"	229.011924	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"440807"	344.021524	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"818855"	114.002324	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"89790"	459.031124	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"527164"	689.050324	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"898406"	229.011924	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"48770"	476.057671	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"494532"	706.076871	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"869060"	246.038471	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"31483"	481.013066	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"471899"	711.032266	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"853229"	250.993866	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1619723"	250.993866	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"100382"	247.000263	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"535567"	362.009863	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"927864"	131.990663	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"268607"	495.007802	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"661024"	725.027002	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1274037"	264.988602	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"17564"	496.987006	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"457976"	727.006206	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"834197"	266.967806	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1558779"	266.967806	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"943867"	275.017394	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"362326"	505.036601	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"349862"	519.052251	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1496874"	289.033051	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"962593"	296.999351	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"120616"	264.988602	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"556166"	379.998202	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1024598"	149.979002	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1244176"	308.938085	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1312460"	310.994072	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1323757"	332.976029	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"919922"	343.004786	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1291893"	378.981464	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1369322"	195.006524	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1382962"	213.0165	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"283050"	461.045676	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"676367"	691.064876	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1353083"	231.026476	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"126131"	231.026476	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"567233"	346.036076	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1038706"	116.016876	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"208066"	154.353409333333	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"645564"	231.026476	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1164174"	77.6803426666667	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"425388"	478.072223	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"786504"	708.091423	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1687090"	248.053023	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"330258"	239.5397495	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"724508"	354.5493495	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1477602"	124.5301495	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"393732"	483.027618	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"754520"	713.046818	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1615952"	253.008418	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"322708"	242.017447	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"722521"	357.027047	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1476496"	127.007847	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1062208"	85.0076566666667	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1264978"	263.052686	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"385742"	499.001558	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"750019"	729.020758	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1554258"	268.982358	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"313622"	250.004417	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"705314"	365.014017	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1457674"	134.994817	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"245182"	502.072226	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1220078"	272.053026	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1206148"	136.530151	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"195738"	505.00956	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"644168"	735.02876	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1144272"	274.99036	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"186476"	253.008418	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"622755"	368.018018	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1125166"	137.998818	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1410875"	92.3349706666667	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1440807"	277.031946	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"225035"	258.04144	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1509816"	291.08399	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"410959"	260.995388	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"778149"	376.004988	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1669011"	145.985788	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"252855"	524.054168	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1228602"	294.034968	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1713842"	294.058493	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1181750"	99.6622846666667	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1656759"	299.013888	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"171402"	536.95744	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"611205"	766.97664	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1096443"	306.93824	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"154360"	268.982358	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"593915"	383.991958	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1080614"	153.972758	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1109451"	308.952792	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1346932"	309.040407	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1009996"	313.079576	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1527027"	314.073208	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"990192"	157.043426	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1589072"	314.987828	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1422385"	345.019338	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1155953"	177.556701	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1704411"	362.045885	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1642250"	367.00128	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1576809"	382.97522	"C06238"	"L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"813737"	230.0192	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"980710"	211.00081	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"73324"	152.338857333333	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"509604"	229.011924	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"889591"	75.6657906666667	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"5978"	229.011924	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"442258"	344.021524	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"821153"	114.002324	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"82608"	459.031124	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"527278"	689.050324	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"901798"	229.011924	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"49242"	476.057671	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"495743"	706.076871	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"869170"	246.038471	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"32813"	481.013066	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"472008"	711.032266	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"852245"	250.993866	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1620684"	250.993866	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"99398"	247.000263	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"536771"	362.009863	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"927608"	131.990663	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"268840"	495.007802	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"660526"	725.027002	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1273173"	264.988602	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"18404"	496.987006	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"456991"	727.006206	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"833577"	266.967806	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1557187"	266.967806	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"943613"	275.017394	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"361693"	505.036601	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"348879"	519.052251	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1496620"	289.033051	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"963432"	296.999351	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"117812"	264.988602	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"553358"	379.998202	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1026534"	149.979002	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1246842"	308.938085	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1309290"	310.994072	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1323871"	332.976029	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"914930"	343.004786	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1291634"	378.981464	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1367607"	195.006524	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1383320"	213.0165	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"283085"	461.045676	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"677211"	691.064876	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1354290"	231.026476	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"125960"	231.026476	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"567101"	346.036076	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1037250"	116.016876	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"205994"	154.353409333333	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"645192"	231.026476	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1163680"	77.6803426666667	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"427687"	478.072223	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"790869"	708.091423	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1685016"	248.053023	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"332561"	239.5397495	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"726078"	354.5493495	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1477591"	124.5301495	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"393599"	483.027618	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"755564"	713.046818	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1612784"	253.008418	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"329382"	242.017447	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"719994"	357.027047	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1473447"	127.007847	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1062318"	85.0076566666667	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1269101"	263.052686	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"392054"	499.001558	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"751588"	729.020758	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1552547"	268.982358	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"313251"	250.004417	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"706155"	365.014017	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1459247"	134.994817	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"248212"	502.072226	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1220188"	272.053026	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1206624"	136.530151	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"199128"	505.00956	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"644155"	735.02876	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1143289"	274.99036	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"187679"	253.008418	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"627240"	368.018018	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1128556"	137.998818	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1407705"	92.3349706666667	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1442010"	277.031946	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"229518"	258.04144	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1516487"	291.08399	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"421639"	260.995388	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"778259"	376.004988	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1669122"	145.985788	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"254546"	524.054168	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1227253"	294.034968	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1713223"	294.058493	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1182225"	99.6622846666667	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1657962"	299.013888	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"168110"	536.95744	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"608762"	766.97664	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1096194"	306.93824	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"155436"	268.982358	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"595118"	383.991958	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1081818"	153.972758	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1111022"	308.952792	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1344855"	309.040407	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1009013"	313.079576	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1527138"	314.073208	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"991031"	157.043426	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1592461"	314.987828	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1418121"	345.019338	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1151689"	177.556701	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1698082"	362.045885	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1635798"	367.00128	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1574732"	382.97522	"C06239"	"alpha-L-Arabinose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"811659"	621.0608	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M"	0
"984099"	602.04241	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-H2O-H"	-19.01839
"73435"	413.033257333333	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M-3H"	-3.021828
"510807"	620.053524	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M-3H"	-3.021828
"888608"	206.012990666667	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-3H"	-3.021828
"8276"	620.053524	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H"	-2.014552
"439967"	930.583924	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H"	-2.014552
"819076"	309.523124	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H"	-2.014552
"81624"	1241.114324	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M-H"	-1.007276
"525202"	1862.175124	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M-H"	-1.007276
"898628"	620.053524	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-H"	-1.007276
"49721"	1258.140871	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H+NH4"	16.019271
"495850"	1879.201671	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H+NH4"	16.019271
"865997"	637.080071	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H+NH4"	16.019271
"31694"	1263.096266	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H+Na"	20.974666
"471447"	1884.157066	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H+Na"	20.974666
"851261"	642.035466	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H+Na"	20.974666
"1618887"	642.035466	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na-2H"	20.974666
"94524"	638.041863	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M-H+Cl"	33.962126
"534689"	948.572263	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M-H+Cl"	33.962126
"927183"	327.511463	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+Cl"	33.962126
"268950"	1277.091002	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Cl"	34.969402
"660269"	1898.151802	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+Cl"	34.969402
"1272883"	656.030202	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl"	34.969402
"16448"	1279.070206	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M-2H+K"	36.948606
"456249"	1900.131006	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M-2H+K"	36.948606
"833112"	658.009406	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-2H+K"	36.948606
"1555594"	658.009406	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+K-2H"	36.948606
"943029"	666.058994	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+HCOOH"	44.998194
"361650"	1287.119801	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+HCOOH-H"	44.998201
"349353"	1301.135451	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Hac-H"	59.013851
"1496365"	680.074651	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Hac-H"	59.013851
"962813"	688.040951	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+NaCOOH"	66.980151
"117922"	656.030202	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2Cl"	69.938804
"553103"	966.560602	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2Cl"	69.938804
"1028467"	345.499802	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2Cl"	69.938804
"1247316"	699.979685	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Br"	78.918885
"1309764"	702.035672	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl+HCOOH"	80.974872
"1325804"	724.017629	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl+NaCOOH"	102.956829
"915040"	734.046386	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M-H+CF3COOH"	112.985586
"1291745"	770.023064	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Cl+CF3COOH"	148.962264
"1368203"	586.048124	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H-2H2O"	-35.012676
"1383268"	604.0581	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H-H2O"	-17.0027
"284291"	1243.128876	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H"	1.007276
"677323"	1864.189676	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H"	1.007276
"1353673"	622.068076	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H"	1.007276
"126196"	622.068076	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2H"	2.014552
"565996"	932.598476	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2H"	2.014552
"1037474"	311.537676	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2H"	2.014552
"205740"	415.047809333333	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+3H"	3.021828
"646395"	622.068076	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+3H"	3.021828
"1163793"	208.027542666667	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+3H"	3.021828
"427797"	1260.155423	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+NH4"	18.033823
"792072"	1881.216223	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+NH4"	18.033823
"1689498"	639.094623	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+NH4"	18.033823
"331578"	630.5813495	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H+NH4"	19.041099
"726917"	941.1117495	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H+NH4"	19.041099
"1478917"	320.0509495	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+NH4"	19.041099
"396140"	1265.110818	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Na"	22.989218
"755676"	1886.171618	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+Na"	22.989218
"1612894"	644.050018	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na"	22.989218
"328886"	633.059047	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H+Na"	23.996494
"720710"	943.589447	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H+Na"	23.996494
"1473557"	322.528647	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+Na"	23.996494
"1063521"	215.354856666667	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2H+Na"	25.00377
"1268481"	654.094286	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+CH3OH+H"	33.033486
"388148"	1281.084758	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+K"	38.963158
"748052"	1902.145558	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+K"	38.963158
"1551563"	660.023958	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+K"	38.963158
"312020"	641.046017	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+H+K"	39.970434
"705535"	951.576417	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+H+K"	39.970434
"1459355"	330.515617	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+K"	39.970434
"244309"	1284.155426	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+ACN+H"	42.033826
"1219203"	663.094626	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+ACN+H"	42.033826
"1200900"	332.050951	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+ACN+2H"	43.041102
"197048"	1287.09276	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2Na-H"	44.97116
"642082"	1908.15356	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2Na-H"	44.97116
"1143398"	666.03196	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2Na-H"	44.97116
"186331"	644.050018	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2Na"	45.978436
"626256"	954.580418	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2Na"	45.978436
"1127573"	333.519618	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2Na"	45.978436
"1410002"	222.682170666667	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+2Na"	46.985712
"1441027"	668.073546	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+HCOOH"	47.012746
"231814"	649.08304	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+3H2O+2H"	56.04448
"1516597"	682.12559	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+IsoProp+H"	61.06479
"418471"	652.036988	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+Na+K"	61.952376
"780558"	962.567388	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+Na+K"	61.952376
"1671783"	341.506588	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na+K"	61.952376
"255387"	1306.137368	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+ACN+Na"	64.015768
"1227366"	685.076568	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+ACN+Na"	64.015768
"1716249"	685.100093	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+NH4+HCOOH"	64.039293
"1180510"	230.009484666667	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+3Na"	68.967654
"1656979"	690.055488	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na+HCOOH"	68.994688
"168219"	1319.04064	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2K-H"	76.91904
"607779"	1940.10144	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2K-H"	76.91904
"1098488"	697.97984	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2K-H"	76.91904
"154575"	660.023958	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"2M+2K"	77.926316
"591948"	970.554358	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"3M+2K"	77.926316
"1080834"	349.493558	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2K"	77.926316
"1110767"	699.994392	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2K+H"	78.933592
"1346058"	700.082007	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+DMSO+H"	79.021207
"1017867"	704.121176	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2ACN+H"	83.060376
"1530527"	705.114808	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+IsoProp+Na+H"	84.054008
"1000255"	352.564226	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+2ACN+2H"	84.067652
"1589292"	706.029428	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+K+HCOOH"	84.968628
"1416043"	736.060938	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+H+CF3COOH"	115.000138
"1151799"	373.077501	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+3ACN+2H"	125.094202
"1698071"	753.087485	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+NH4+CF3COOH"	132.026685
"1637001"	758.04288	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+Na+CF3COOH"	136.98208
"1574842"	774.01682	"C06240"	"UDP-N-acetyl-D-mannosaminouronate;UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate;UDP-N-acetyl-D-mannosaminuronic acid;UDP-N-acetyl-alpha-D-mannosaminuronate"	"C17H25N3O18P2"	"621.0608"	"M+K+CF3COOH"	152.95602
"812862"	389.0723	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M"	0
"984209"	370.05391	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-H2O-H"	-19.01839
"73545"	258.374257333333	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M-3H"	-3.021828
"509824"	388.065024	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M-3H"	-3.021828
"887625"	128.683490666667	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-3H"	-3.021828
"9478"	388.065024	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M-2H"	-2.014552
"441384"	582.601174	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M-2H"	-2.014552
"820280"	193.528874	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-2H"	-2.014552
"80642"	777.137324	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M-H"	-1.007276
"525312"	1166.209624	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M-H"	-1.007276
"897645"	388.065024	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-H"	-1.007276
"48738"	794.163871	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M-2H+NH4"	16.019271
"494867"	1183.236171	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M-2H+NH4"	16.019271
"864771"	405.091571	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-2H+NH4"	16.019271
"36195"	799.119266	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M-2H+Na"	20.974666
"471431"	1188.191566	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M-2H+Na"	20.974666
"848816"	410.046966	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-2H+Na"	20.974666
"1620902"	410.046966	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Na-2H"	20.974666
"94877"	406.053363	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M-H+Cl"	33.962126
"534317"	600.589513	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M-H+Cl"	33.962126
"927085"	211.517213	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-H+Cl"	33.962126
"267134"	813.114002	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+Cl"	34.969402
"659955"	1202.186302	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+Cl"	34.969402
"1272908"	424.041702	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Cl"	34.969402
"15861"	815.093206	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M-2H+K"	36.948606
"458183"	1204.165506	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M-2H+K"	36.948606
"832945"	426.020906	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-2H+K"	36.948606
"1555903"	426.020906	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+K-2H"	36.948606
"942841"	434.070494	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-H+HCOOH"	44.998194
"362005"	823.142801	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+HCOOH-H"	44.998201
"346291"	837.158451	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+Hac-H"	59.013851
"1495744"	448.086151	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Hac-H"	59.013851
"961828"	456.052451	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-H+NaCOOH"	66.980151
"115113"	424.041702	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+2Cl"	69.938804
"552485"	618.577852	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+2Cl"	69.938804
"1021685"	229.505552	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2Cl"	69.938804
"1242560"	467.991185	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Br"	78.918885
"1306347"	470.047172	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Cl+HCOOH"	80.974872
"1321901"	492.029129	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Cl+NaCOOH"	102.956829
"913688"	502.057886	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M-H+CF3COOH"	112.985586
"1291492"	538.034564	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Cl+CF3COOH"	148.962264
"1368556"	354.059624	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H-2H2O"	-35.012676
"1383615"	372.0696	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H-H2O"	-17.0027
"283463"	779.151876	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+H"	1.007276
"678162"	1168.224176	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+H"	1.007276
"1352443"	390.079576	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H"	1.007276
"126544"	390.079576	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+2H"	2.014552
"566593"	584.615726	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+2H"	2.014552
"1037661"	195.543426	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2H"	2.014552
"205243"	260.388809333333	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+3H"	3.021828
"646505"	390.079576	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+3H"	3.021828
"1169007"	130.698042666667	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+3H"	3.021828
"429004"	796.178423	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+NH4"	18.033823
"792182"	1185.250723	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+NH4"	18.033823
"1687423"	407.106123	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+NH4"	18.033823
"336794"	398.5928495	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+H+NH4"	19.041099
"727027"	593.1289995	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+H+NH4"	19.041099
"1477687"	204.0566995	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H+NH4"	19.041099
"393818"	801.133818	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+Na"	22.989218
"755296"	1190.206118	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+Na"	22.989218
"1611909"	412.061518	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Na"	22.989218
"326322"	401.070547	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+H+Na"	23.996494
"719840"	595.606697	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+H+Na"	23.996494
"1469292"	206.534397	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H+Na"	23.996494
"1061441"	138.025356666667	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2H+Na"	25.00377
"1266400"	422.105786	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+CH3OH+H"	33.033486
"387161"	817.107758	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+K"	38.963158
"748161"	1206.180058	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+K"	38.963158
"1552396"	428.035458	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+K"	38.963158
"308482"	409.057517	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+H+K"	39.970434
"704552"	603.593667	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+H+K"	39.970434
"1455818"	214.521367	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H+K"	39.970434
"245512"	820.178426	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+ACN+H"	42.033826
"1218220"	431.106126	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+ACN+H"	42.033826
"1201009"	216.056701	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+ACN+2H"	43.041102
"192785"	823.11576	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+2Na-H"	44.97116
"640735"	1212.18806	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+2Na-H"	44.97116
"1140228"	434.04346	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2Na-H"	44.97116
"182431"	412.061518	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+2Na"	45.978436
"616523"	606.597668	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+2Na"	45.978436
"1120394"	217.525368	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2Na"	45.978436
"1402457"	145.352670666667	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H+2Na"	46.985712
"1433845"	436.085046	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H+HCOOH"	47.012746
"227548"	417.09454	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+3H2O+2H"	56.04448
"1508927"	450.13709	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+IsoProp+H"	61.06479
"409829"	420.048488	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+Na+K"	61.952376
"770821"	614.584638	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+Na+K"	61.952376
"1668242"	225.512338	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Na+K"	61.952376
"252210"	842.160368	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+ACN+Na"	64.015768
"1226418"	453.088068	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+ACN+Na"	64.015768
"1714535"	453.111593	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+NH4+HCOOH"	64.039293
"1179523"	152.679984666667	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+3Na"	68.967654
"1653809"	458.066988	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Na+HCOOH"	68.994688
"165049"	855.06364	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+2K-H"	76.91904
"607889"	1244.13594	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+2K-H"	76.91904
"1096048"	465.99134	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2K-H"	76.91904
"152134"	428.035458	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"2M+2K"	77.926316
"592057"	622.571608	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"3M+2K"	77.926316
"1080944"	233.499308	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2K"	77.926316
"1106503"	468.005892	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2K+H"	78.933592
"1341794"	468.093507	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+DMSO+H"	79.021207
"1014697"	472.132676	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2ACN+H"	83.060376
"1528451"	473.126308	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+IsoProp+Na+H"	84.054008
"1000365"	236.569976	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+2ACN+2H"	84.067652
"1588430"	474.040928	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+K+HCOOH"	84.968628
"1414451"	504.072438	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+H+CF3COOH"	115.000138
"1150816"	257.083251	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+3ACN+2H"	125.094202
"1698181"	521.098985	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+NH4+CF3COOH"	132.026685
"1637111"	526.05438	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+Na+CF3COOH"	136.98208
"1573859"	542.02832	"C06241"	"N-Acetylneuraminate 9-phosphate"	"C11H20NO12P"	"389.0723"	"M+K+CF3COOH"	152.95602
"812972"	59.0371	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M"	0
"987599"	40.01871	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-H2O-H"	-19.01839
"75841"	38.3507906666667	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M-3H"	-3.021828
"511027"	58.029824	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M-3H"	-3.021828
"891014"	18.6717573333333	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-3H"	-3.021828
"10682"	58.029824	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M-2H"	-2.014552
"443681"	87.548374	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M-2H"	-2.014552
"822577"	28.511274	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-2H"	-2.014552
"80752"	117.066924	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M-H"	-1.007276
"525422"	176.104024	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M-H"	-1.007276
"897755"	58.029824	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-H"	-1.007276
"48238"	134.093471	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M-2H+NH4"	16.019271
"493885"	193.130571	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M-2H+NH4"	16.019271
"866582"	75.056371	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-2H+NH4"	16.019271
"31927"	139.048866	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M-2H+Na"	20.974666
"472094"	198.085966	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M-2H+Na"	20.974666
"849412"	80.011766	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-2H+Na"	20.974666
"1618574"	80.011766	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Na-2H"	20.974666
"94660"	76.018163	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M-H+Cl"	33.962126
"534380"	105.536713	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M-H+Cl"	33.962126
"928793"	46.499613	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-H+Cl"	33.962126
"267834"	153.043602	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+Cl"	34.969402
"660089"	212.080702	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+Cl"	34.969402
"1272932"	94.006502	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Cl"	34.969402
"16420"	155.022806	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M-2H+K"	36.948606
"456349"	214.059906	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M-2H+K"	36.948606
"833070"	95.985706	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-2H+K"	36.948606
"1556176"	95.985706	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+K-2H"	36.948606
"943335"	104.035294	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-H+HCOOH"	44.998194
"361919"	163.072401	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+HCOOH-H"	44.998201
"345924"	177.088051	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+Hac-H"	59.013851
"1498405"	118.050951	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Hac-H"	59.013851
"963030"	126.017251	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-H+NaCOOH"	66.980151
"112669"	94.006502	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+2Cl"	69.938804
"552229"	123.525052	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+2Cl"	69.938804
"1023944"	64.487952	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2Cl"	69.938804
"1242550"	137.955985	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Br"	78.918885
"1304999"	140.011972	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Cl+HCOOH"	80.974872
"1322742"	161.993929	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Cl+NaCOOH"	102.956829
"912582"	172.022686	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M-H+CF3COOH"	112.985586
"1290627"	207.999364	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Cl+CF3COOH"	148.962264
"1367937"	24.024424	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H-2H2O"	-35.012676
"1384463"	42.0344	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H-H2O"	-17.0027
"284270"	119.081476	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+H"	1.007276
"676326"	178.118576	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+H"	1.007276
"1351320"	60.044376	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H"	1.007276
"125841"	60.044376	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+2H"	2.014552
"570355"	89.562926	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+2H"	2.014552
"1040248"	30.525826	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2H"	2.014552
"204621"	40.3653426666667	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+3H"	3.021828
"648806"	60.044376	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+3H"	3.021828
"1169119"	20.6863093333333	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+3H"	3.021828
"431299"	136.108023	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+NH4"	18.033823
"792292"	195.145123	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+NH4"	18.033823
"1688626"	77.070923	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+NH4"	18.033823
"333622"	68.5576495	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+H+NH4"	19.041099
"724949"	98.0761995	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+H+NH4"	19.041099
"1478162"	39.0390995	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H+NH4"	19.041099
"394290"	141.063418	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+Na"	22.989218
"755650"	200.100518	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+Na"	22.989218
"1614207"	82.026318	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Na"	22.989218
"327525"	71.035347	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+H+Na"	23.996494
"718856"	100.553897	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+H+Na"	23.996494
"1472681"	41.516797	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H+Na"	23.996494
"1061553"	28.0136233333333	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2H+Na"	25.00377
"1269790"	92.070586	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+CH3OH+H"	33.033486
"387273"	157.037358	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+K"	38.963158
"748271"	216.074458	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+K"	38.963158
"1553599"	98.000258	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+K"	38.963158
"311871"	79.022317	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+H+K"	39.970434
"705994"	108.540867	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+H+K"	39.970434
"1455928"	49.503767	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H+K"	39.970434
"245621"	160.108026	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+ACN+H"	42.033826
"1217235"	101.070926	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+ACN+H"	42.033826
"1198932"	51.039101	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+ACN+2H"	43.041102
"191801"	163.04536	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+2Na-H"	44.97116
"637928"	222.08246	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+2Na-H"	44.97116
"1133776"	104.00826	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2Na-H"	44.97116
"182541"	82.026318	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+2Na"	45.978436
"617363"	111.544868	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+2Na"	45.978436
"1120139"	52.507768	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2Na"	45.978436
"1403660"	35.3409373333333	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H+2Na"	46.985712
"1435048"	106.049846	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H+HCOOH"	47.012746
"226929"	87.05934	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+3H2O+2H"	56.04448
"1511711"	120.10189	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+IsoProp+H"	61.06479
"410304"	90.013288	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+Na+K"	61.952376
"772028"	119.531838	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+Na+K"	61.952376
"1666409"	60.494738	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Na+K"	61.952376
"251476"	182.089968	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+ACN+Na"	64.015768
"1225671"	123.052868	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+ACN+Na"	64.015768
"1713914"	123.076393	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+NH4+HCOOH"	64.039293
"1178593"	42.6682513333333	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+3Na"	68.967654
"1655375"	128.031788	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Na+HCOOH"	68.994688
"167346"	194.99324	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+2K-H"	76.91904
"605815"	254.03034	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+2K-H"	76.91904
"1095429"	135.95614	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2K-H"	76.91904
"152243"	98.000258	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"2M+2K"	77.926316
"591073"	127.518808	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"3M+2K"	77.926316
"1079596"	68.481708	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2K"	77.926316
"1101506"	137.970692	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2K+H"	78.933592
"1339716"	138.058307	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+DMSO+H"	79.021207
"1008250"	142.097476	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2ACN+H"	83.060376
"1526738"	143.091108	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+IsoProp+Na+H"	84.054008
"990388"	71.552376	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+2ACN+2H"	84.067652
"1589147"	144.005728	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+K+HCOOH"	84.968628
"1414804"	174.037238	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+H+CF3COOH"	115.000138
"1148011"	92.065651	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+3ACN+2H"	125.094202
"1699749"	191.063785	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+NH4+CF3COOH"	132.026685
"1635762"	196.01918	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+Na+CF3COOH"	136.98208
"1575062"	211.99312	"C06244"	"Acetamide"	"C2H5NO"	"59.0371"	"M+K+CF3COOH"	152.95602
"816720"	293.9906	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M"	0
"981150"	274.97221	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-H2O-H"	-19.01839
"77048"	194.986457333333	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M-3H"	-3.021828
"506766"	292.983324	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M-3H"	-3.021828
"884568"	96.9895906666666	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-3H"	-3.021828
"3144"	292.983324	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H"	-2.014552
"452920"	439.978624	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H"	-2.014552
"832184"	145.988024	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-2H"	-2.014552
"84885"	586.973924	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M-H"	-1.007276
"532098"	880.964524	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M-H"	-1.007276
"901153"	292.983324	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-H"	-1.007276
"49451"	604.000471	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H+NH4"	16.019271
"491805"	897.991071	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H+NH4"	16.019271
"872889"	310.009871	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-2H+NH4"	16.019271
"32404"	608.955866	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H+Na"	20.974666
"477070"	902.946466	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H+Na"	20.974666
"855964"	314.965266	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-2H+Na"	20.974666
"1623677"	314.965266	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Na-2H"	20.974666
"99110"	310.971663	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M-H+Cl"	33.962126
"541587"	457.966963	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M-H+Cl"	33.962126
"935103"	163.976363	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-H+Cl"	33.962126
"275846"	622.950602	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+Cl"	34.969402
"668995"	916.941202	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+Cl"	34.969402
"1281397"	328.960002	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl"	34.969402
"26507"	624.929806	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M-2H+K"	36.948606
"461326"	918.920406	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M-2H+K"	36.948606
"839127"	330.939206	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-2H+K"	36.948606
"1560428"	330.939206	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+K-2H"	36.948606
"946123"	338.988794	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-H+HCOOH"	44.998194
"366165"	632.979401	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+HCOOH-H"	44.998201
"349318"	646.995051	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+Hac-H"	59.013851
"1497422"	353.004451	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Hac-H"	59.013851
"962414"	360.970751	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-H+NaCOOH"	66.980151
"113872"	328.960002	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+2Cl"	69.938804
"551609"	475.955302	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+2Cl"	69.938804
"1025149"	181.964702	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2Cl"	69.938804
"1246553"	372.909485	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Br"	78.918885
"1306082"	374.965472	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl+HCOOH"	80.974872
"1322122"	396.947429	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl+NaCOOH"	102.956829
"918286"	406.976186	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M-H+CF3COOH"	112.985586
"1290985"	442.952864	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Cl+CF3COOH"	148.962264
"1369873"	258.977924	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H-2H2O"	-35.012676
"1384819"	276.9879	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H-H2O"	-17.0027
"284868"	588.988476	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+H"	1.007276
"675718"	882.979076	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+H"	1.007276
"1351389"	294.997876	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H"	1.007276
"125838"	294.997876	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+2H"	2.014552
"565968"	441.993176	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+2H"	2.014552
"1046926"	148.002576	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2H"	2.014552
"210451"	197.001009333333	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+3H"	3.021828
"651104"	294.997876	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+3H"	3.021828
"1173603"	99.0041426666667	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+3H"	3.021828
"430314"	606.015023	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+NH4"	18.033823
"789123"	900.005623	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+NH4"	18.033823
"1686552"	312.024423	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+NH4"	18.033823
"341394"	303.5111495	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+H+NH4"	19.041099
"732722"	450.5064495	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+H+NH4"	19.041099
"1481074"	156.5158495	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H+NH4"	19.041099
"407787"	610.970418	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+Na"	22.989218
"768419"	904.961018	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+Na"	22.989218
"1615423"	316.979818	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Na"	22.989218
"327646"	305.988847	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+H+Na"	23.996494
"720067"	452.984147	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+H+Na"	23.996494
"1473885"	158.993547	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H+Na"	23.996494
"1063851"	106.331456666667	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2H+Na"	25.00377
"1270639"	327.024086	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+CH3OH+H"	33.033486
"389574"	626.944358	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+K"	38.963158
"749476"	920.934958	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+K"	38.963158
"1550436"	332.953758	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+K"	38.963158
"310893"	313.975817	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+H+K"	39.970434
"703315"	460.971117	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+H+K"	39.970434
"1456040"	166.980517	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H+K"	39.970434
"248288"	630.015026	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+ACN+H"	42.033826
"1221725"	336.024426	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+ACN+H"	42.033826
"1207797"	168.515851	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+ACN+2H"	43.041102
"197390"	632.95236	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+2Na-H"	44.97116
"636951"	926.94296	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+2Na-H"	44.97116
"1133892"	338.96176	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2Na-H"	44.97116
"174263"	316.979818	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+2Na"	45.978436
"613703"	463.975118	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+2Na"	45.978436
"1115990"	169.984518	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2Na"	45.978436
"1398665"	113.658770666667	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H+2Na"	46.985712
"1433335"	341.003346	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H+HCOOH"	47.012746
"224127"	322.01284	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+3H2O+2H"	56.04448
"1513647"	355.05539	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+IsoProp+H"	61.06479
"412602"	324.966788	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+Na+K"	61.952376
"771411"	471.962088	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+Na+K"	61.952376
"1668472"	177.971488	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Na+K"	61.952376
"252923"	651.996968	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+ACN+Na"	64.015768
"1227334"	358.006368	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+ACN+Na"	64.015768
"1724616"	358.029893	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+NH4+HCOOH"	64.039293
"1190701"	120.986084666667	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+3Na"	68.967654
"1661325"	362.985288	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Na+HCOOH"	68.994688
"166365"	664.90024	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+2K-H"	76.91904
"599364"	958.89084	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+2K-H"	76.91904
"1092622"	370.90964	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2K-H"	76.91904
"145066"	332.953758	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"2M+2K"	77.926316
"582798"	479.949058	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"3M+2K"	77.926316
"1070226"	185.958458	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2K"	77.926316
"1102346"	372.924192	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2K+H"	78.933592
"1339825"	373.011807	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+DMSO+H"	79.021207
"1012729"	377.050976	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2ACN+H"	83.060376
"1529763"	378.044608	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+IsoProp+Na+H"	84.054008
"998398"	189.029126	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+2ACN+2H"	84.067652
"1589620"	378.959228	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+K+HCOOH"	84.968628
"1417465"	408.990738	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+H+CF3COOH"	115.000138
"1151034"	209.542401	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+3ACN+2H"	125.094202
"1698766"	426.017285	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+NH4+CF3COOH"	132.026685
"1642803"	430.97268	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+Na+CF3COOH"	136.98208
"1583922"	446.94662	"C06248"	"D-Ribose 1-diphosphate"	"C5H12O10P2"	"293.9906"	"M+K+CF3COOH"	152.95602
"814289"	2027.1376	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M"	0
"981261"	2008.11921	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-H2O-H"	-19.01839
"76070"	1350.41779066667	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M-3H"	-3.021828
"515632"	2026.130324	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M-3H"	-3.021828
"893434"	674.705257333333	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-3H"	-3.021828
"12008"	2026.130324	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M-2H"	-2.014552
"450479"	3039.699124	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M-2H"	-2.014552
"828280"	1012.561524	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-2H"	-2.014552
"88272"	4053.267924	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M-H"	-1.007276
"524551"	6080.405524	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M-H"	-1.007276
"899072"	2026.130324	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-H"	-1.007276
"51259"	4070.294471	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M-2H+NH4"	16.019271
"489727"	6097.432071	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M-2H+NH4"	16.019271
"870810"	2043.156871	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-2H+NH4"	16.019271
"38710"	4075.249866	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M-2H+Na"	20.974666
"472192"	6102.387466	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M-2H+Na"	20.974666
"849267"	2048.112266	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-2H+Na"	20.974666
"1622327"	2048.112266	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Na-2H"	20.974666
"96669"	2044.118663	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M-H+Cl"	33.962126
"538781"	3057.687463	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M-H+Cl"	33.962126
"935213"	1030.549863	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-H+Cl"	33.962126
"277050"	4089.244602	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+Cl"	34.969402
"668377"	6116.382202	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+Cl"	34.969402
"1276768"	2062.107002	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Cl"	34.969402
"17258"	4091.223806	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M-2H+K"	36.948606
"459981"	6118.361406	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M-2H+K"	36.948606
"835234"	2064.086206	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-2H+K"	36.948606
"1560911"	2064.086206	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+K-2H"	36.948606
"945877"	2072.135794	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-H+HCOOH"	44.998194
"364827"	4099.273401	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+HCOOH-H"	44.998201
"349802"	4113.289051	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+Hac-H"	59.013851
"1495355"	2086.151451	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Hac-H"	59.013851
"962164"	2094.117751	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-H+NaCOOH"	66.980151
"115084"	2062.107002	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+2Cl"	69.938804
"551120"	3075.675802	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+2Cl"	69.938804
"1030006"	1048.538202	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2Cl"	69.938804
"1248488"	2106.056485	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Br"	78.918885
"1307655"	2108.112472	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Cl+HCOOH"	80.974872
"1322964"	2130.094429	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Cl+NaCOOH"	102.956829
"917304"	2140.123186	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M-H+CF3COOH"	112.985586
"1290002"	2176.099864	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Cl+CF3COOH"	148.962264
"1369619"	1992.124924	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H-2H2O"	-35.012676
"1385658"	2010.1349	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H-H2O"	-17.0027
"282890"	4055.282476	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+H"	1.007276
"675937"	6082.420076	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+H"	1.007276
"1351476"	2028.144876	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H"	1.007276
"125910"	2028.144876	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+2H"	2.014552
"570581"	3041.713676	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+2H"	2.014552
"1041566"	1014.576076	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2H"	2.014552
"209467"	1352.43234266667	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+3H"	3.021828
"649027"	2028.144876	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+3H"	3.021828
"1163262"	676.719809333333	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+3H"	3.021828
"424383"	4072.309023	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+NH4"	18.033823
"786195"	6099.446623	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+NH4"	18.033823
"1683378"	2045.171423	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+NH4"	18.033823
"331656"	2036.6581495	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+H+NH4"	19.041099
"738435"	3050.2269495	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+H+NH4"	19.041099
"1492730"	1023.0893495	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H+NH4"	19.041099
"407892"	4077.264418	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+Na"	22.989218
"763059"	6104.402018	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+Na"	22.989218
"1615531"	2050.126818	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Na"	22.989218
"328971"	2039.135847	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+H+Na"	23.996494
"720906"	3052.704647	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+H+Na"	23.996494
"1475090"	1025.567047	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H+Na"	23.996494
"1063961"	684.047123333333	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2H+Na"	25.00377
"1267826"	2060.171086	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+CH3OH+H"	33.033486
"387497"	4093.238358	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+K"	38.963158
"747399"	6120.375958	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+K"	38.963158
"1548359"	2066.100758	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+K"	38.963158
"309907"	2047.122817	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+H+K"	39.970434
"704516"	3060.691617	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+H+K"	39.970434
"1458337"	1033.554017	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H+K"	39.970434
"243659"	4096.309026	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+ACN+H"	42.033826
"1217466"	2069.171426	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+ACN+H"	42.033826
"1202440"	1035.089351	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+ACN+2H"	43.041102
"194219"	4099.24636	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+2Na-H"	44.97116
"631952"	6126.38396	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+2Na-H"	44.97116
"1131362"	2072.10876	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2Na-H"	44.97116
"174250"	2050.126818	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+2Na"	45.978436
"613935"	3063.695618	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+2Na"	45.978436
"1116466"	1036.558018	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2Na"	45.978436
"1399506"	691.374437333333	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H+2Na"	46.985712
"1432351"	2074.150346	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H+HCOOH"	47.012746
"223507"	2055.15984	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+3H2O+2H"	56.04448
"1510110"	2088.20239	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+IsoProp+H"	61.06479
"410895"	2058.113788	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+Na+K"	61.952376
"771524"	3071.682588	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+Na+K"	61.952376
"1666879"	1044.544988	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Na+K"	61.952376
"258755"	4118.290968	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+ACN+Na"	64.015768
"1226724"	2091.153368	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+ACN+Na"	64.015768
"1722175"	2091.176893	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+NH4+HCOOH"	64.039293
"1187529"	698.701751333333	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+3Na"	68.967654
"1661796"	2096.132288	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Na+HCOOH"	68.994688
"168658"	4131.19424	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+2K-H"	76.91904
"606033"	6158.33184	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+2K-H"	76.91904
"1086167"	2104.05664	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2K-H"	76.91904
"142860"	2066.100758	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"2M+2K"	77.926316
"583270"	3079.669558	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"3M+2K"	77.926316
"1069852"	1052.531958	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2K"	77.926316
"1100629"	2106.071192	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2K+H"	78.933592
"1336160"	2106.158807	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+DMSO+H"	79.021207
"1006031"	2110.197976	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2ACN+H"	83.060376
"1525130"	2111.191608	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+IsoProp+Na+H"	84.054008
"990482"	1055.602626	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+2ACN+2H"	84.067652
"1587538"	2112.106228	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+K+HCOOH"	84.968628
"1414659"	2142.137738	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+H+CF3COOH"	115.000138
"1150057"	1076.115901	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+3ACN+2H"	125.094202
"1701797"	2159.164285	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+NH4+CF3COOH"	132.026685
"1636719"	2164.11968	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+Na+CF3COOH"	136.98208
"1574193"	2180.09362	"C06251"	"Lauroyl-KDO2-lipid IV(A);Dodecanoyl-KDO2-lipid IV(A)"	"C96H176N2O38P2"	"2027.1376"	"M+K+CF3COOH"	152.95602
"815742"	116.0473	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M"	0
"988306"	97.02891	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-H2O-H"	-19.01839
"77279"	76.3575906666667	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M-3H"	-3.021828
"510275"	115.040024	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M-3H"	-3.021828
"883702"	37.6751573333333	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-3H"	-3.021828
"13214"	115.040024	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M-2H"	-2.014552
"449496"	173.063674	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M-2H"	-2.014552
"824015"	57.016374	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-2H"	-2.014552
"79997"	231.087324	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M-H"	-1.007276
"521379"	347.134624	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M-H"	-1.007276
"899545"	115.040024	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-H"	-1.007276
"48088"	248.113871	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M-2H+NH4"	16.019271
"489836"	364.161171	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M-2H+NH4"	16.019271
"866546"	132.066571	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-2H+NH4"	16.019271
"34811"	253.069266	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M-2H+Na"	20.974666
"472913"	369.116566	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M-2H+Na"	20.974666
"856183"	137.021966	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-2H+Na"	20.974666
"1618871"	137.021966	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Na-2H"	20.974666
"98237"	133.028363	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M-H+Cl"	33.962126
"539256"	191.052013	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M-H+Cl"	33.962126
"934231"	75.004713	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-H+Cl"	33.962126
"270599"	267.064002	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+Cl"	34.969402
"665572"	383.111302	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+Cl"	34.969402
"1283077"	151.016702	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Cl"	34.969402
"19804"	269.043206	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M-2H+K"	36.948606
"463013"	385.090506	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M-2H+K"	36.948606
"837536"	152.995906	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-2H+K"	36.948606
"1561022"	152.995906	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+K-2H"	36.948606
"944534"	161.045494	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-H+HCOOH"	44.998194
"366031"	277.092801	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+HCOOH-H"	44.998201
"349914"	291.108451	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+Hac-H"	59.013851
"1499839"	175.061151	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Hac-H"	59.013851
"961913"	183.027451	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-H+NaCOOH"	66.980151
"114101"	151.016702	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+2Cl"	69.938804
"551106"	209.040352	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+2Cl"	69.938804
"1031209"	92.993052	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2Cl"	69.938804
"1250785"	194.966185	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Br"	78.918885
"1313232"	197.022172	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Cl+HCOOH"	80.974872
"1323076"	219.004129	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Cl+NaCOOH"	102.956829
"918507"	229.032886	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M-H+CF3COOH"	112.985586
"1296308"	265.009564	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Cl+CF3COOH"	148.962264
"1368270"	81.034624	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H-2H2O"	-35.012676
"1383578"	99.0446	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H-H2O"	-17.0027
"282894"	233.101876	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+H"	1.007276
"676047"	349.149176	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+H"	1.007276
"1352775"	117.054576	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H"	1.007276
"130040"	117.054576	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+2H"	2.014552
"568504"	175.078226	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+2H"	2.014552
"1038396"	59.030926	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2H"	2.014552
"210670"	78.3721426666667	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+3H"	3.021828
"644879"	117.054576	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+3H"	3.021828
"1165075"	39.6897093333333	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+3H"	3.021828
"424701"	250.128423	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+NH4"	18.033823
"785728"	366.175723	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+NH4"	18.033823
"1688957"	134.081123	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+NH4"	18.033823
"345601"	125.5678495	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+H+NH4"	19.041099
"736717"	183.5914995	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+H+NH4"	19.041099
"1490048"	67.5441995	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H+NH4"	19.041099
"399988"	255.083818	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+Na"	22.989218
"759889"	371.131118	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+Na"	22.989218
"1614547"	139.036518	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Na"	22.989218
"326770"	128.045547	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+H+Na"	23.996494
"717008"	186.069197	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+H+Na"	23.996494
"1473743"	70.021897	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H+Na"	23.996494
"1065896"	47.0170233333333	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2H+Na"	25.00377
"1267937"	149.080786	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+CH3OH+H"	33.033486
"388703"	271.057758	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+K"	38.963158
"745325"	387.105058	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+K"	38.963158
"1549564"	155.010458	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+K"	38.963158
"308928"	136.032517	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+H+K"	39.970434
"703533"	194.056167	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+H+K"	39.970434
"1458447"	78.008867	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H+K"	39.970434
"243773"	274.128426	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+ACN+H"	42.033826
"1217571"	158.081126	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+ACN+H"	42.033826
"1204737"	79.544201	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+ACN+2H"	43.041102
"193598"	277.06576	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+2Na-H"	44.97116
"629876"	393.11306	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+2Na-H"	44.97116
"1131601"	161.01846	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2Na-H"	44.97116
"173751"	139.036518	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+2Na"	45.978436
"614412"	197.060168	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+2Na"	45.978436
"1117553"	81.012868	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2Na"	45.978436
"1398724"	54.3443373333333	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H+2Na"	46.985712
"1432828"	163.060046	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H+HCOOH"	47.012746
"223254"	144.06954	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+3H2O+2H"	56.04448
"1509861"	177.11209	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+IsoProp+H"	61.06479
"409549"	147.023488	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+Na+K"	61.952376
"773459"	205.047138	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+Na+K"	61.952376
"1668335"	88.999838	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Na+K"	61.952376
"253761"	296.110368	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+ACN+Na"	64.015768
"1227200"	180.063068	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+ACN+Na"	64.015768
"1717545"	180.086593	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+NH4+HCOOH"	64.039293
"1183993"	61.6716513333333	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+3Na"	68.967654
"1659722"	185.041988	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Na+HCOOH"	68.994688
"163303"	309.01364	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+2K-H"	76.91904
"597755"	425.06094	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+2K-H"	76.91904
"1084574"	192.96634	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2K-H"	76.91904
"141750"	155.010458	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"2M+2K"	77.926316
"581557"	213.034108	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"3M+2K"	77.926316
"1069351"	96.986808	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2K"	77.926316
"1099979"	194.980892	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2K+H"	78.933592
"1336271"	195.068507	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+DMSO+H"	79.021207
"1007482"	199.107676	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2ACN+H"	83.060376
"1524877"	200.101308	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+IsoProp+Na+H"	84.054008
"990107"	100.057476	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+2ACN+2H"	84.067652
"1587407"	201.015928	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+K+HCOOH"	84.968628
"1418786"	231.047438	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+H+CF3COOH"	115.000138
"1152355"	120.570751	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+3ACN+2H"	125.094202
"1698259"	248.073985	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+NH4+CF3COOH"	132.026685
"1635003"	253.02938	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+Na+CF3COOH"	136.98208
"1574304"	269.00332	"C06255"	"2-Oxopentanoic acid;2-Oxovalerate;2-Oxopentanoate;alpha-Ketovaleric acid"	"C5H8O3"	"116.0473"	"M+K+CF3COOH"	152.95602
"811230"	134.0579	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M"	0
"989019"	115.03951	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-H2O-H"	-19.01839
"77753"	88.3646573333333	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M-3H"	-3.021828
"512571"	133.050624	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M-3H"	-3.021828
"883813"	43.6786906666667	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-3H"	-3.021828
"10043"	133.050624	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M-2H"	-2.014552
"448515"	200.079574	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M-2H"	-2.014552
"825219"	66.021674	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-2H"	-2.014552
"81200"	267.108524	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M-H"	-1.007276
"522583"	401.166424	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M-H"	-1.007276
"896739"	133.050624	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-H"	-1.007276
"49657"	284.135071	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M-2H+NH4"	16.019271
"493228"	418.192971	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M-2H+NH4"	16.019271
"867749"	150.077171	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-2H+NH4"	16.019271
"32854"	289.090466	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M-2H+Na"	20.974666
"474117"	423.148366	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M-2H+Na"	20.974666
"851919"	155.032566	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-2H+Na"	20.974666
"1618534"	155.032566	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Na-2H"	20.974666
"97619"	151.038963	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M-H+Cl"	33.962126
"539732"	218.067913	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M-H+Cl"	33.962126
"934341"	84.010013	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-H+Cl"	33.962126
"272168"	303.085202	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+Cl"	34.969402
"670785"	437.143102	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+Cl"	34.969402
"1286468"	169.027302	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Cl"	34.969402
"19186"	305.064406	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M-2H+K"	36.948606
"460937"	439.122306	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M-2H+K"	36.948606
"838739"	171.006506	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-2H+K"	36.948606
"1563319"	171.006506	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+K-2H"	36.948606
"945738"	179.056094	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-H+HCOOH"	44.998194
"365048"	313.114001	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+HCOOH-H"	44.998201
"351117"	327.129651	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+Hac-H"	59.013851
"1501043"	193.071751	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Hac-H"	59.013851
"964210"	201.038051	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-H+NaCOOH"	66.980151
"114212"	169.027302	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+2Cl"	69.938804
"550284"	236.056252	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+2Cl"	69.938804
"1031320"	101.998352	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2Cl"	69.938804
"1249803"	212.976785	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Br"	78.918885
"1314437"	215.032772	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Cl+HCOOH"	80.974872
"1327558"	237.014729	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Cl+NaCOOH"	102.956829
"920805"	247.043486	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M-H+CF3COOH"	112.985586
"1296419"	283.020164	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Cl+CF3COOH"	148.962264
"1378954"	99.045224	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H-2H2O"	-35.012676
"1392075"	117.0552	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H-H2O"	-17.0027
"295771"	269.123076	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+H"	1.007276
"679809"	403.180976	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+H"	1.007276
"1353979"	135.065176	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H"	1.007276
"130150"	135.065176	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+2H"	2.014552
"568615"	202.094126	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+2H"	2.014552
"1038748"	68.036226	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2H"	2.014552
"208594"	90.3792093333333	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+3H"	3.021828
"646332"	135.065176	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+3H"	3.021828
"1164336"	45.6932426666667	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+3H"	3.021828
"424722"	286.149623	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+NH4"	18.033823
"790550"	420.207523	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+NH4"	18.033823
"1695763"	152.091723	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+NH4"	18.033823
"344284"	143.5784495	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+H+NH4"	19.041099
"736827"	210.6073995	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+H+NH4"	19.041099
"1489794"	76.5494995	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H+NH4"	19.041099
"399003"	291.105018	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+Na"	22.989218
"758904"	425.162918	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+Na"	22.989218
"1614655"	157.047118	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Na"	22.989218
"326757"	146.056147	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+H+Na"	23.996494
"720761"	213.085097	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+H+Na"	23.996494
"1470937"	79.027197	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H+Na"	23.996494
"1063455"	53.0205566666667	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2H+Na"	25.00377
"1268047"	167.091386	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+CH3OH+H"	33.033486
"389904"	307.078958	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+K"	38.963158
"749445"	441.136858	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+K"	38.963158
"1551860"	173.021058	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+K"	38.963158
"310129"	154.043117	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+H+K"	39.970434
"698177"	221.072067	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+H+K"	39.970434
"1457466"	87.014167	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H+K"	39.970434
"242790"	310.149626	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+ACN+H"	42.033826
"1219869"	176.091726	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+ACN+H"	42.033826
"1197920"	88.549501	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+ACN+2H"	43.041102
"188799"	313.08696	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+2Na-H"	44.97116
"628717"	447.14486	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+2Na-H"	44.97116
"1132192"	179.02906	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2Na-H"	44.97116
"173982"	157.047118	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+2Na"	45.978436
"614882"	224.076068	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+2Na"	45.978436
"1116319"	90.018168	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2Na"	45.978436
"1398626"	60.3478706666667	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H+2Na"	46.985712
"1431116"	181.070646	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H+HCOOH"	47.012746
"224091"	162.08014	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+3H2O+2H"	56.04448
"1509601"	195.12269	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+IsoProp+H"	61.06479
"409292"	165.034088	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+Na+K"	61.952376
"771747"	232.063038	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+Na+K"	61.952376
"1666010"	98.005138	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Na+K"	61.952376
"255695"	332.131568	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+ACN+Na"	64.015768
"1229498"	198.073668	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+ACN+Na"	64.015768
"1721302"	198.097193	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+NH4+HCOOH"	64.039293
"1185562"	67.6751846666667	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+3Na"	68.967654
"1650717"	203.052588	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Na+HCOOH"	68.994688
"157293"	345.03484	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+2K-H"	76.91904
"603697"	479.09274	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+2K-H"	76.91904
"1084685"	210.97694	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2K-H"	76.91904
"145394"	173.021058	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"2M+2K"	77.926316
"581623"	240.050008	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"3M+2K"	77.926316
"1068808"	105.992108	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2K"	77.926316
"1100437"	212.991492	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2K+H"	78.933592
"1336011"	213.079107	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+DMSO+H"	79.021207
"1006120"	217.118276	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2ACN+H"	83.060376
"1524371"	218.111908	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+IsoProp+Na+H"	84.054008
"990089"	109.062776	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+2ACN+2H"	84.067652
"1587142"	219.026528	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+K+HCOOH"	84.968628
"1414433"	249.058038	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+H+CF3COOH"	115.000138
"1148449"	129.576051	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+3ACN+2H"	125.094202
"1700193"	266.084585	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+NH4+CF3COOH"	132.026685
"1635113"	271.03998	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+Na+CF3COOH"	136.98208
"1571615"	287.01392	"C06257"	"1-Deoxy-D-xylulose"	"C5H10O4"	"134.0579"	"M+K+CF3COOH"	152.95602
"814629"	51.9405	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M"	0
"987073"	32.92211	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-H2O-H"	-19.01839
"67661"	33.619724	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M-3H"	-3.021828
"507223"	50.933224	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M-3H"	-3.021828
"881741"	16.306224	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-3H"	-3.021828
"3596"	50.933224	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M-2H"	-2.014552
"443519"	76.903474	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M-2H"	-2.014552
"819134"	24.962974	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-2H"	-2.014552
"82406"	102.873724	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M-H"	-1.007276
"523788"	154.814224	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M-H"	-1.007276
"899768"	50.933224	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-H"	-1.007276
"51591"	119.900271	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M-2H+NH4"	16.019271
"491150"	171.840771	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M-2H+NH4"	16.019271
"870046"	67.959771	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-2H+NH4"	16.019271
"34666"	124.855666	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M-2H+Na"	20.974666
"475322"	176.796166	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M-2H+Na"	20.974666
"852395"	72.915166	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-2H+Na"	20.974666
"1630314"	72.915166	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Na-2H"	20.974666
"101011"	68.921563	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M-H+Cl"	33.962126
"540938"	94.891813	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M-H+Cl"	33.962126
"934451"	42.951313	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-H+Cl"	33.962126
"273011"	138.850402	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+Cl"	34.969402
"665434"	190.790902	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+Cl"	34.969402
"1276379"	86.909902	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Cl"	34.969402
"25862"	140.829606	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M-2H+K"	36.948606
"459955"	192.770106	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M-2H+K"	36.948606
"837757"	88.889106	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-2H+K"	36.948606
"1564527"	88.889106	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+K-2H"	36.948606
"948035"	96.938694	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-H+HCOOH"	44.998194
"368437"	148.879201	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+HCOOH-H"	44.998201
"347947"	162.894851	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+Hac-H"	59.013851
"1492890"	110.954351	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Hac-H"	59.013851
"959218"	118.920651	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-H+NaCOOH"	66.980151
"110789"	86.909902	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+2Cl"	69.938804
"556069"	112.880152	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+2Cl"	69.938804
"1024869"	60.939652	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2Cl"	69.938804
"1245540"	130.859385	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Br"	78.918885
"1306529"	132.915372	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Cl+HCOOH"	80.974872
"1321475"	154.897329	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Cl+NaCOOH"	102.956829
"917641"	164.926086	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M-H+CF3COOH"	112.985586
"1300910"	200.902764	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Cl+CF3COOH"	148.962264
"1375792"	16.927824	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H-2H2O"	-35.012676
"1386730"	34.9378	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H-H2O"	-17.0027
"287512"	104.888276	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+H"	1.007276
"684306"	156.828776	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+H"	1.007276
"1358466"	52.947776	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H"	1.007276
"133543"	52.947776	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+2H"	2.014552
"580033"	78.918026	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+2H"	2.014552
"1045183"	26.977526	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2H"	2.014552
"219296"	35.634276	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+3H"	3.021828
"659626"	52.947776	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+3H"	3.021828
"1176975"	18.320776	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+3H"	3.021828
"430773"	121.914823	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+NH4"	18.033823
"791767"	173.855323	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+NH4"	18.033823
"1694658"	69.974323	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+NH4"	18.033823
"340751"	61.4610495	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+H+NH4"	19.041099
"735360"	87.4312995	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+H+NH4"	19.041099
"1486994"	35.4907995	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H+NH4"	19.041099
"395831"	126.870218	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+Na"	22.989218
"761199"	178.810718	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+Na"	22.989218
"1607110"	74.929718	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Na"	22.989218
"321522"	63.938747	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+H+Na"	23.996494
"713944"	89.908997	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+H+Na"	23.996494
"1468859"	37.968497	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H+Na"	23.996494
"1061011"	25.64809	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2H+Na"	25.00377
"1265973"	84.973986	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+CH3OH+H"	33.033486
"388920"	142.844158	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+K"	38.963158
"745545"	194.784658	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+K"	38.963158
"1545409"	90.903658	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+K"	38.963158
"305867"	71.925717	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+H+K"	39.970434
"697195"	97.895967	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+H+K"	39.970434
"1456480"	45.955467	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H+K"	39.970434
"246176"	145.914826	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+ACN+H"	42.033826
"1218886"	93.974326	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+ACN+H"	42.033826
"1202772"	47.490801	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+ACN+2H"	43.041102
"196737"	148.85216	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+2Na-H"	44.97116
"633017"	200.79266	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+2Na-H"	44.97116
"1133603"	96.91166	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2Na-H"	44.97116
"174704"	74.929718	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+2Na"	45.978436
"613086"	100.899968	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+2Na"	45.978436
"1116188"	48.959468	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2Na"	45.978436
"1400563"	32.975404	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H+2Na"	46.985712
"1433410"	98.953246	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H+HCOOH"	47.012746
"220059"	79.96274	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+3H2O+2H"	56.04448
"1508644"	113.00529	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+IsoProp+H"	61.06479
"412322"	82.916688	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+Na+K"	61.952376
"776969"	108.886938	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+Na+K"	61.952376
"1673300"	56.946438	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Na+K"	61.952376
"255810"	167.896768	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+ACN+Na"	64.015768
"1233621"	115.956268	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+ACN+Na"	64.015768
"1716307"	115.979793	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+NH4+HCOOH"	64.039293
"1183487"	40.302718	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+3Na"	68.967654
"1651191"	120.935188	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Na+HCOOH"	68.994688
"157148"	180.80004	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+2K-H"	76.91904
"597129"	232.74054	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+2K-H"	76.91904
"1084348"	128.85954	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2K-H"	76.91904
"141448"	90.903658	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"2M+2K"	77.926316
"581529"	116.873908	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"3M+2K"	77.926316
"1068714"	64.933408	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2K"	77.926316
"1099951"	130.874092	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2K+H"	78.933592
"1335610"	130.961707	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+DMSO+H"	79.021207
"1005915"	135.000876	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2ACN+H"	83.060376
"1524243"	135.994508	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+IsoProp+Na+H"	84.054008
"990032"	68.004076	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+2ACN+2H"	84.067652
"1587021"	136.909128	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+K+HCOOH"	84.968628
"1414498"	166.940638	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+H+CF3COOH"	115.000138
"1151487"	88.517351	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+3ACN+2H"	125.094202
"1707600"	183.967185	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+NH4+CF3COOH"	132.026685
"1645438"	188.92258	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+Na+CF3COOH"	136.98208
"1576719"	204.89652	"C06268"	"Chromium;Cr"	"Cr"	"51.9405"	"M+K+CF3COOH"	152.95602
"812553"	74.9216	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M"	0
"980618"	55.90321	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-H2O-H"	-19.01839
"68864"	48.9404573333333	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M-3H"	-3.021828
"506238"	73.914324	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M-3H"	-3.021828
"881850"	23.9665906666667	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-3H"	-3.021828
"1519"	73.914324	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M-2H"	-2.014552
"440712"	111.375124	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M-2H"	-2.014552
"819244"	36.453524	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-2H"	-2.014552
"82152"	148.835924	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M-H"	-1.007276
"522806"	223.757524	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M-H"	-1.007276
"897446"	73.914324	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-H"	-1.007276
"51700"	165.862471	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M-2H+NH4"	16.019271
"491260"	240.784071	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M-2H+NH4"	16.019271
"869063"	90.940871	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-2H+NH4"	16.019271
"34776"	170.817866	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M-2H+Na"	20.974666
"474703"	245.739466	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M-2H+Na"	20.974666
"854328"	95.896266	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-2H+Na"	20.974666
"1633220"	95.896266	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Na-2H"	20.974666
"106954"	91.902663	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M-H+Cl"	33.962126
"544328"	129.363463	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M-H+Cl"	33.962126
"941000"	54.441863	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-H+Cl"	33.962126
"270205"	184.812602	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+Cl"	34.969402
"662264"	259.734202	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+Cl"	34.969402
"1276853"	109.891002	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Cl"	34.969402
"18317"	186.791806	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M-2H+K"	36.948606
"458972"	261.713406	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M-2H+K"	36.948606
"836774"	111.870206	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-2H+K"	36.948606
"1560262"	111.870206	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+K-2H"	36.948606
"949239"	119.919794	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-H+HCOOH"	44.998194
"367454"	194.841401	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+HCOOH-H"	44.998201
"350244"	208.857051	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+Hac-H"	59.013851
"1492995"	133.935451	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Hac-H"	59.013851
"961151"	141.901751	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-H+NaCOOH"	66.980151
"110421"	109.891002	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+2Cl"	69.938804
"559459"	147.351802	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+2Cl"	69.938804
"1029353"	72.430202	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2Cl"	69.938804
"1245650"	153.840485	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Br"	78.918885
"1310285"	155.896472	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Cl+HCOOH"	80.974872
"1326688"	177.878429	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Cl+NaCOOH"	102.956829
"918844"	187.907186	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M-H+CF3COOH"	112.985586
"1299927"	223.883864	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Cl+CF3COOH"	148.962264
"1375902"	39.908924	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H-2H2O"	-35.012676
"1386840"	57.9189	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H-H2O"	-17.0027
"287622"	150.850476	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+H"	1.007276
"684416"	225.772076	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+H"	1.007276
"1357483"	75.928876	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H"	1.007276
"131467"	75.928876	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+2H"	2.014552
"575401"	113.389676	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+2H"	2.014552
"1042013"	38.468076	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2H"	2.014552
"218675"	50.9550093333333	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+3H"	3.021828
"659572"	75.928876	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+3H"	3.021828
"1177448"	25.9811426666667	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+3H"	3.021828
"436350"	167.877023	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+NH4"	18.033823
"799532"	242.798623	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+NH4"	18.033823
"1692582"	92.955423	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+NH4"	18.033823
"344142"	84.4421495	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+H+NH4"	19.041099
"737294"	121.9029495	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+H+NH4"	19.041099
"1487104"	46.9813495	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H+NH4"	19.041099
"401408"	172.832418	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+Na"	22.989218
"764590"	247.754018	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+Na"	22.989218
"1610501"	97.910818	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Na"	22.989218
"322727"	86.919847	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+H+Na"	23.996494
"719523"	124.380647	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+H+Na"	23.996494
"1471156"	49.459047	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H+Na"	23.996494
"1061121"	33.3084566666667	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2H+Na"	25.00377
"1269361"	107.955086	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+CH3OH+H"	33.033486
"387937"	188.806358	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+K"	38.963158
"746747"	263.727958	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+K"	38.963158
"1545519"	113.884758	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+K"	38.963158
"305977"	94.906817	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+H+K"	39.970434
"696212"	132.367617	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+H+K"	39.970434
"1455498"	57.446017	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H+K"	39.970434
"241912"	191.877026	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+ACN+H"	42.033826
"1214620"	116.955426	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+ACN+H"	42.033826
"1203975"	58.981351	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+ACN+2H"	43.041102
"193566"	194.81436	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+2Na-H"	44.97116
"633127"	269.73596	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+2Na-H"	44.97116
"1134078"	119.89276	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2Na-H"	44.97116
"175543"	97.910818	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+2Na"	45.978436
"614252"	135.371618	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+2Na"	45.978436
"1118245"	60.450018	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2Na"	45.978436
"1402500"	40.6357706666667	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H+2Na"	46.985712
"1431206"	121.934346	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H+HCOOH"	47.012746
"220779"	102.94384	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+3H2O+2H"	56.04448
"1508963"	135.98639	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+IsoProp+H"	61.06479
"411704"	105.897788	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+Na+K"	61.952376
"780358"	143.358588	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+Na+K"	61.952376
"1673410"	68.436988	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Na+K"	61.952376
"256650"	213.858968	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+ACN+Na"	64.015768
"1230451"	138.937368	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+ACN+Na"	64.015768
"1715324"	138.960893	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+NH4+HCOOH"	64.039293
"1183597"	47.9630846666667	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+3Na"	68.967654
"1651301"	143.916288	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Na+HCOOH"	68.994688
"161078"	226.76224	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+2K-H"	76.91904
"597275"	301.68384	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+2K-H"	76.91904
"1084542"	151.84064	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2K-H"	76.91904
"141671"	113.884758	"C06269"	"Arsenic;As"	"As"	"74.9216"	"2M+2K"	77.926316
"581762"	151.345558	"C06269"	"Arsenic;As"	"As"	"74.9216"	"3M+2K"	77.926316
"1068573"	76.423958	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2K"	77.926316
"1100134"	153.855192	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2K+H"	78.933592
"1337459"	153.942807	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+DMSO+H"	79.021207
"1005774"	157.981976	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2ACN+H"	83.060376
"1524255"	158.975608	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+IsoProp+Na+H"	84.054008
"989922"	79.494626	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+2ACN+2H"	84.067652
"1587202"	159.890228	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+K+HCOOH"	84.968628
"1414252"	189.921738	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+H+CF3COOH"	115.000138
"1151597"	100.007901	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+3ACN+2H"	125.094202
"1707710"	206.948285	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+NH4+CF3COOH"	132.026685
"1641173"	211.90368	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+Na+CF3COOH"	136.98208
"1576829"	227.87762	"C06269"	"Arsenic;As"	"As"	"74.9216"	"M+K+CF3COOH"	152.95602
"808295"	136.1252	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M"	0
"976358"	117.10681	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"66787"	89.7428573333333	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"506348"	135.117924	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"883052"	44.3677906666667	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"4908"	135.117924	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"444833"	203.180524	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"818258"	67.055324	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"80805"	271.243124	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"519999"	407.368324	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"898167"	135.117924	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"51817"	288.269671	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"495755"	424.394871	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873194"	152.144471	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"43643"	293.225066	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"479922"	429.350266	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"854445"	157.099866	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1629449"	157.099866	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"104883"	153.106263	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"538976"	221.168863	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"929568"	85.043663	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"274327"	307.219802	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"667842"	443.345002	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1278059"	171.094602	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"21710"	309.199006	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"464551"	445.324206	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"839072"	173.073806	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1558186"	173.073806	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"944975"	181.123394	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"366469"	317.248601	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"348169"	331.264251	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1492978"	195.139051	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"961261"	203.105351	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"110642"	171.094602	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"551186"	239.157202	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1021477"	103.032002	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1243575"	215.044085	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1313682"	217.100072	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1324617"	239.082029	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"925887"	249.110786	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1289106"	285.087464	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1371643"	101.112524	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1384400"	119.1225	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"293204"	273.257676	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"685625"	409.382876	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1364161"	137.132476	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H"	1.007276
"132675"	137.132476	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"571142"	205.195076	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1043224"	69.069876	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"212216"	91.7574093333333	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"656148"	137.132476	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1169905"	46.3823426666667	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"432083"	290.284223	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"793081"	426.409423	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1688318"	154.159023	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"334772"	145.6457495	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"729021"	213.7083495	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1481746"	77.5831495	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"399333"	295.239618	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"758141"	431.364818	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1605145"	159.114418	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"318464"	148.123447	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"711979"	216.186047	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462884"	80.060847	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1053943"	53.7096566666667	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258536"	169.158686	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"380757"	311.213558	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"741752"	447.338758	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1541982"	175.088358	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+K"	38.963158
"302799"	156.110417	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"697410"	224.173017	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1449044"	88.047817	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"236916"	314.284226	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1211204"	178.159026	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1194355"	89.583151	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"189172"	317.22156	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"629096"	453.34676	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1132843"	181.09636	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"176390"	159.114418	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"618512"	227.177018	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1117152"	91.051818	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1399220"	61.0369706666667	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1430974"	183.137946	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221150"	164.14744	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1510311"	197.18999	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"411093"	167.101388	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"771841"	235.163988	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1666957"	99.038788	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"254207"	336.266168	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1229466"	200.140968	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1714706"	200.164493	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1179697"	68.3642846666667	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1650185"	205.119888	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"157906"	349.16944	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"597832"	485.29464	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1084898"	213.04424	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"141954"	175.088358	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"590765"	243.150958	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1080748"	107.025758	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1114449"	215.058792	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1350596"	215.146407	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1020944"	219.185576	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1539068"	220.179208	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"999080"	110.096426	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1597958"	221.093828	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1421433"	251.125338	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1159013"	130.609701	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1710384"	268.151885	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1645669"	273.10728	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1578039"	289.08122	"C06304"	"()-Comphene;()-Camphene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"808405"	136.1252	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M"	0
"974645"	117.10681	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"64711"	89.7428573333333	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"504268"	135.117924	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"881577"	44.3677906666667	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"1734"	135.117924	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"441299"	203.180524	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"819097"	67.055324	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"81644"	271.243124	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"521202"	407.368324	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"897548"	135.117924	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"50833"	288.269671	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"496958"	424.394871	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873668"	152.144471	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"39379"	293.225066	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"478938"	429.350266	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"854554"	157.099866	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1632839"	157.099866	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"104993"	153.106263	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"539086"	221.168863	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"929315"	85.043663	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"274437"	307.219802	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"667952"	443.345002	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1281448"	171.094602	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"22913"	309.199006	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"466847"	445.324206	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"840275"	173.073806	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1559389"	173.073806	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"945085"	181.123394	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"367672"	317.248601	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"348279"	331.264251	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1493218"	195.139051	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"961371"	203.105351	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"110639"	171.094602	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"551296"	239.157202	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1021667"	103.032002	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1242347"	215.044085	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1313792"	217.100072	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1323998"	239.082029	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"916149"	249.110786	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1293589"	285.087464	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1372843"	101.112524	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1386329"	119.1225	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"286383"	273.257676	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"685735"	409.382876	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1362085"	137.132476	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H"	1.007276
"131691"	137.132476	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"571252"	205.195076	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1043334"	69.069876	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"210140"	91.7574093333333	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"651885"	137.132476	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1166727"	46.3823426666667	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"431101"	290.284223	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"794284"	426.409423	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1687335"	154.159023	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"335612"	145.6457495	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"731317"	213.7083495	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1480763"	77.5831495	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"393402"	295.239618	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"758251"	431.364818	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1605255"	159.114418	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"315535"	148.123447	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"710995"	216.186047	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462261"	80.060847	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1054052"	53.7096566666667	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258403"	169.158686	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"378315"	311.213558	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"741132"	447.338758	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1540998"	175.088358	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+K"	38.963158
"301815"	156.110417	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"693509"	224.173017	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1446844"	88.047817	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"235888"	314.284226	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1210341"	178.159026	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1195808"	89.583151	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"189769"	317.22156	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"628924"	453.34676	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1132468"	181.09636	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"176136"	159.114418	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"618622"	227.177018	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1117756"	91.051818	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1399453"	61.0369706666667	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1431935"	183.137946	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221989"	164.14744	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1510787"	197.18999	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"412297"	167.101388	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"772193"	235.163988	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1668886"	99.038788	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"254316"	336.266168	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1228848"	200.140968	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1714086"	200.164493	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1179564"	68.3642846666667	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1651025"	205.119888	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"158017"	349.16944	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"598672"	485.29464	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1084764"	213.04424	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"142430"	175.088358	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"590875"	243.150958	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1080858"	107.025758	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1114558"	215.058792	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1349980"	215.146407	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1020326"	219.185576	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1539058"	220.179208	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1001378"	110.096426	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1596975"	221.093828	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1421543"	251.125338	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1160216"	130.609701	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1710858"	268.151885	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1644686"	273.10728	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1578149"	289.08122	"C06305"	"(-)-Comphene;(-)-Camphene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"811795"	136.1252	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M"	0
"975239"	117.10681	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"64821"	89.7428573333333	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"503242"	135.117924	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"879998"	44.3677906666667	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"508"	135.117924	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"441167"	203.180524	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"817467"	67.055324	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"81025"	271.243124	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"520218"	407.368324	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"897292"	135.117924	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"49851"	288.269671	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"497068"	424.394871	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"874871"	152.144471	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"38396"	293.225066	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"477955"	429.350266	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"855757"	157.099866	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1629668"	157.099866	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"105103"	153.106263	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"541382"	221.168863	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"928332"	85.043663	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"270173"	307.219802	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"668062"	443.345002	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1278278"	171.094602	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"19742"	309.199006	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"461489"	445.324206	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"838198"	173.073806	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1557675"	173.073806	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"942823"	181.123394	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"361949"	317.248601	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"346565"	331.264251	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1492832"	195.139051	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"959657"	203.105351	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"110106"	171.094602	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"551164"	239.157202	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1022029"	103.032002	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1243066"	215.044085	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1310622"	217.100072	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1323744"	239.082029	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"921363"	249.110786	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1293699"	285.087464	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1372953"	101.112524	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1384981"	119.1225	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"283943"	273.257676	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"683659"	409.382876	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1362195"	137.132476	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H"	1.007276
"130709"	137.132476	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"571362"	205.195076	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1043444"	69.069876	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"210250"	91.7574093333333	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"649809"	137.132476	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1165744"	46.3823426666667	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"429023"	290.284223	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"791110"	426.409423	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1687445"	154.159023	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"335722"	145.6457495	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"728147"	213.7083495	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1480873"	77.5831495	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"396272"	295.239618	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"757268"	431.364818	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1604636"	159.114418	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"316497"	148.123447	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"711106"	216.186047	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1461642"	80.060847	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1052860"	53.7096566666667	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1257904"	169.158686	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"377814"	311.213558	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"739783"	447.338758	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1542202"	175.088358	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K"	38.963158
"300103"	156.110417	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"691795"	224.173017	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1451453"	88.047817	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"235996"	314.284226	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1210697"	178.159026	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1196283"	89.583151	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"188986"	317.22156	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"628603"	453.34676	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1131467"	181.09636	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"175882"	159.114418	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"618732"	227.177018	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1120054"	91.051818	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1400296"	61.0369706666667	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1434598"	183.137946	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"222470"	164.14744	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1510168"	197.18999	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"416417"	167.101388	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"771940"	235.163988	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1667905"	99.038788	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"253334"	336.266168	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1226773"	200.140968	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1713103"	200.164493	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1179916"	68.3642846666667	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1650284"	205.119888	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"158493"	349.16944	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"597568"	485.29464	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1084511"	213.04424	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"141688"	175.088358	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"589891"	243.150958	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1082061"	107.025758	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1115363"	215.058792	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1349480"	215.146407	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1019591"	219.185576	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1539532"	220.179208	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"998208"	110.096426	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1594901"	221.093828	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1419466"	251.125338	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1159597"	130.609701	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1710240"	268.151885	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1649172"	273.10728	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1581539"	289.08122	"C06306"	"()-alpha-Pinene;(1R5R)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"808625"	136.1252	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M"	0
"974222"	117.10681	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"63128"	89.7428573333333	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"502891"	135.117924	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"880261"	44.3677906666667	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"864"	135.117924	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"440425"	203.180524	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"817859"	67.055324	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"81135"	271.243124	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"520328"	407.368324	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"898493"	135.117924	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-H"	-1.007276
"48499"	288.269671	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"499365"	424.394871	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873888"	152.144471	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"38506"	293.225066	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"476973"	429.350266	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"852588"	157.099866	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1627592"	157.099866	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"100840"	153.106263	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"542586"	221.168863	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"930632"	85.043663	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"270283"	307.219802	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"663799"	443.345002	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1276202"	171.094602	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"19853"	309.199006	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"460507"	445.324206	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"837215"	173.073806	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1558516"	173.073806	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"948585"	181.123394	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"363153"	317.248601	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"346226"	331.264251	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1493683"	195.139051	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"960497"	203.105351	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"111954"	171.094602	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"551152"	239.157202	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1022138"	103.032002	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1245000"	215.044085	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1315107"	217.100072	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1329322"	239.082029	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"916006"	249.110786	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1293809"	285.087464	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1369783"	101.112524	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1383269"	119.1225	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"284782"	273.257676	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+H"	1.007276
"683769"	409.382876	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1363399"	137.132476	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H"	1.007276
"133007"	137.132476	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"573659"	205.195076	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1044646"	69.069876	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2H"	2.014552
"212546"	91.7574093333333	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"649919"	137.132476	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1169137"	46.3823426666667	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+3H"	3.021828
"430227"	290.284223	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"791220"	426.409423	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1687555"	154.159023	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"333646"	145.6457495	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"726071"	213.7083495	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1478797"	77.5831495	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"395655"	295.239618	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"756287"	431.364818	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1608759"	159.114418	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Na"	22.989218
"315881"	148.123447	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"709033"	216.186047	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1464310"	80.060847	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1053908"	53.7096566666667	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1257056"	169.158686	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"378049"	311.213558	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+K"	38.963158
"740987"	447.338758	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1545958"	175.088358	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+K"	38.963158
"301311"	156.110417	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"693001"	224.173017	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1449011"	88.047817	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"237248"	314.284226	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1213240"	178.159026	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1194723"	89.583151	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"188813"	317.22156	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"629188"	453.34676	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1133785"	181.09636	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"173793"	159.114418	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"614827"	227.177018	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1117604"	91.051818	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1398695"	61.0369706666667	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1430682"	183.137946	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"220386"	164.14744	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1508469"	197.18999	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"409097"	167.101388	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"770345"	235.163988	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1666556"	99.038788	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"252713"	336.266168	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1225785"	200.140968	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1715038"	200.164493	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1178547"	68.3642846666667	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1649935"	205.119888	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"157996"	349.16944	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"597353"	485.29464	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1084295"	213.04424	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"141544"	175.088358	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"585626"	243.150958	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1076703"	107.025758	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1115144"	215.058792	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1350443"	215.146407	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1019945"	219.185576	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1538791"	220.179208	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1004514"	110.096426	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1598289"	221.093828	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1418483"	251.125338	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1158613"	130.609701	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1710715"	268.151885	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1648189"	273.10728	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1584930"	289.08122	"C06307"	"(-)-beta-Pinene;(1S5S)-66-Dimethyl-2-methylenebicyclo311heptane"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"808735"	136.1252	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M"	0
"974486"	117.10681	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"63166"	89.7428573333333	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"503329"	135.117924	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"880489"	44.3677906666667	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"483"	135.117924	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"440043"	203.180524	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"817160"	67.055324	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"78814"	271.243124	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"520557"	407.368324	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"897145"	135.117924	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"47878"	288.269671	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"496195"	424.394871	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873998"	152.144471	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"40803"	293.225066	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"475989"	429.350266	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"851966"	157.099866	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1622233"	157.099866	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"100949"	153.106263	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"535041"	221.168863	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"931836"	85.043663	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"271488"	307.219802	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"662816"	443.345002	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1275219"	171.094602	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"17896"	309.199006	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"457578"	445.324206	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"837325"	173.073806	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1557533"	173.073806	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"945414"	181.123394	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"362536"	317.248601	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"345892"	331.264251	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1493428"	195.139051	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"960607"	203.105351	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"111700"	171.094602	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"550898"	239.157202	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1024436"	103.032002	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1242923"	215.044085	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1314853"	217.100072	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1329432"	239.082029	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"916116"	249.110786	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1295012"	285.087464	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1373173"	101.112524	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1395043"	119.1225	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"283383"	273.257676	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"682783"	409.382876	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1362052"	137.132476	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H"	1.007276
"134576"	137.132476	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"572676"	205.195076	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1042569"	69.069876	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"209376"	91.7574093333333	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"647113"	137.132476	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1165966"	46.3823426666667	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"427421"	290.284223	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"790236"	426.409423	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1684380"	154.159023	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"333023"	145.6457495	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"726181"	213.7083495	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1477201"	77.5831495	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"393574"	295.239618	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"755055"	431.364818	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1605589"	159.114418	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"314652"	148.123447	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"707561"	216.186047	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462112"	80.060847	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1053168"	53.7096566666667	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258241"	169.158686	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"380104"	311.213558	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"745107"	447.338758	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1547161"	175.088358	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K"	38.963158
"303607"	156.110417	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"695664"	224.173017	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1449121"	88.047817	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"236262"	314.284226	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1211405"	178.159026	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1196504"	89.583151	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"190834"	317.22156	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"631851"	453.34676	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1134988"	181.09636	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"175361"	159.114418	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"614937"	227.177018	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1118442"	91.051818	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1399167"	61.0369706666667	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1430792"	183.137946	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221466"	164.14744	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1508796"	197.18999	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"408882"	167.101388	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"770413"	235.163988	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1667030"	99.038788	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"252213"	336.266168	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1225727"	200.140968	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1715148"	200.164493	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1178792"	68.3642846666667	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1649949"	205.119888	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"157540"	349.16944	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"597336"	485.29464	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1084321"	213.04424	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"141616"	175.088358	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"585006"	243.150958	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1075718"	107.025758	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1115132"	215.058792	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1350917"	215.146407	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1020169"	219.185576	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1538293"	220.179208	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1001708"	110.096426	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1599492"	221.093828	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1421873"	251.125338	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1159817"	130.609701	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1710460"	268.151885	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1648299"	273.10728	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1585040"	289.08122	"C06308"	"(-)-alpha-Pinene;(1S5S)-266-Trimethylbicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"812125"	428.4018	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M"	0
"976909"	409.38341	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-H2O-H"	-19.01839
"64539"	284.593924	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M-3H"	-3.021828
"505434"	427.394524	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M-3H"	-3.021828
"882872"	141.793324	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-3H"	-3.021828
"1811"	427.394524	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M-2H"	-2.014552
"441612"	641.595424	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M-2H"	-2.014552
"819902"	213.193624	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-2H"	-2.014552
"84269"	855.796324	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M-H"	-1.007276
"522007"	1284.198124	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M-H"	-1.007276
"898353"	427.394524	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-H"	-1.007276
"48837"	872.822871	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M-2H+NH4"	16.019271
"496305"	1301.224671	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M-2H+NH4"	16.019271
"874108"	444.421071	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-2H+NH4"	16.019271
"37633"	877.778266	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M-2H+Na"	20.974666
"478287"	1306.180066	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M-2H+Na"	20.974666
"853171"	449.376466	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-2H+Na"	20.974666
"1623437"	449.376466	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Na-2H"	20.974666
"97778"	445.382863	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M-H+Cl"	33.962126
"536972"	659.583763	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M-H+Cl"	33.962126
"928419"	231.181963	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-H+Cl"	33.962126
"271598"	891.773002	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+Cl"	34.969402
"668394"	1320.174802	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+Cl"	34.969402
"1278609"	463.371202	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Cl"	34.969402
"21166"	893.752206	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M-2H+K"	36.948606
"462912"	1322.154006	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M-2H+K"	36.948606
"839621"	465.350406	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-2H+K"	36.948606
"1562016"	465.350406	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+K-2H"	36.948606
"947712"	473.399994	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-H+HCOOH"	44.998194
"364834"	901.801801	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+HCOOH-H"	44.998201
"350905"	915.817451	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+Hac-H"	59.013851
"1503017"	487.415651	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Hac-H"	59.013851
"963999"	495.381951	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-H+NaCOOH"	66.980151
"120196"	463.371202	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+2Cl"	69.938804
"555746"	677.572102	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+2Cl"	69.938804
"1030014"	249.170302	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2Cl"	69.938804
"1246312"	507.320685	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Br"	78.918885
"1315327"	509.376672	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Cl+HCOOH"	80.974872
"1329542"	531.358629	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Cl+NaCOOH"	102.956829
"921695"	541.387386	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M-H+CF3COOH"	112.985586
"1299496"	577.364064	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Cl+CF3COOH"	148.962264
"1376563"	393.389124	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H-2H2O"	-35.012676
"1394790"	411.3991	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H-H2O"	-17.0027
"293745"	857.810876	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+H"	1.007276
"680706"	1286.212676	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+H"	1.007276
"1356324"	429.409076	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H"	1.007276
"129942"	429.409076	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+2H"	2.014552
"576067"	643.609976	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+2H"	2.014552
"1041585"	215.208176	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2H"	2.014552
"210580"	286.608476	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+3H"	3.021828
"656701"	429.409076	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+3H"	3.021828
"1175555"	143.807876	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+3H"	3.021828
"430447"	874.837423	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+NH4"	18.033823
"792534"	1303.239223	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+NH4"	18.033823
"1689958"	446.435623	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+NH4"	18.033823
"338237"	437.9223495	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+H+NH4"	19.041099
"726655"	652.1232495	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+H+NH4"	19.041099
"1479380"	223.7214495	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H+NH4"	19.041099
"394655"	879.792818	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+Na"	22.989218
"755286"	1308.194618	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+Na"	22.989218
"1605699"	451.391018	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Na"	22.989218
"315370"	440.400047	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+H+Na"	23.996494
"708402"	654.600947	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+H+Na"	23.996494
"1462222"	226.199147	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H+Na"	23.996494
"1056317"	151.13519	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2H+Na"	25.00377
"1260183"	461.435286	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+CH3OH+H"	33.033486
"380580"	895.766758	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+K"	38.963158
"744126"	1324.168558	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+K"	38.963158
"1550553"	467.364958	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+K"	38.963158
"304814"	448.387017	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+H+K"	39.970434
"696505"	662.587917	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+H+K"	39.970434
"1450694"	234.186117	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H+K"	39.970434
"237227"	898.837426	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+ACN+H"	42.033826
"1212367"	470.435626	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+ACN+H"	42.033826
"1205728"	235.721451	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+ACN+2H"	43.041102
"195319"	901.77476	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+2Na-H"	44.97116
"635973"	1330.17656	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+2Na-H"	44.97116
"1135104"	473.37296	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2Na-H"	44.97116
"175474"	451.391018	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+2Na"	45.978436
"615047"	665.591918	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+2Na"	45.978436
"1117824"	237.190118	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2Na"	45.978436
"1399157"	158.462504	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H+2Na"	46.985712
"1430419"	475.414546	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H+HCOOH"	47.012746
"220965"	456.42404	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+3H2O+2H"	56.04448
"1509394"	489.46659	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+IsoProp+H"	61.06479
"409078"	459.377988	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+Na+K"	61.952376
"770564"	673.578888	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+Na+K"	61.952376
"1666776"	245.177088	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Na+K"	61.952376
"252566"	920.819368	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+ACN+Na"	64.015768
"1227828"	492.417568	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+ACN+Na"	64.015768
"1714527"	492.441093	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+NH4+HCOOH"	64.039293
"1178550"	165.789818	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+3Na"	68.967654
"1649993"	497.396488	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Na+HCOOH"	68.994688
"157723"	933.72264	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+2K-H"	76.91904
"598011"	1362.12444	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+2K-H"	76.91904
"1084282"	505.32084	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2K-H"	76.91904
"142012"	467.364958	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"2M+2K"	77.926316
"583656"	681.565858	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"3M+2K"	77.926316
"1069137"	253.164058	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2K"	77.926316
"1109037"	507.335392	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2K+H"	78.933592
"1350172"	507.423007	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+DMSO+H"	79.021207
"1019428"	511.462176	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2ACN+H"	83.060376
"1535363"	512.455808	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+IsoProp+Na+H"	84.054008
"1001818"	256.234726	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+2ACN+2H"	84.067652
"1597415"	513.370428	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+K+HCOOH"	84.968628
"1421983"	543.401938	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+H+CF3COOH"	115.000138
"1158833"	276.748001	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+3ACN+2H"	125.094202
"1710570"	560.428485	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+NH4+CF3COOH"	132.026685
"1649138"	565.38388	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+Na+CF3COOH"	136.98208
"1585150"	581.35782	"C06309"	"Diplopterol;22-Hopanol;Hopan-22-ol"	"C30H52O"	"428.4018"	"M+K+CF3COOH"	152.95602
"812237"	410.3913	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M"	0
"979209"	391.37291	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-H2O-H"	-19.01839
"67448"	272.586924	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M-3H"	-3.021828
"504822"	409.384024	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M-3H"	-3.021828
"881043"	135.789824	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-3H"	-3.021828
"2654"	409.384024	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M-2H"	-2.014552
"443306"	614.579674	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M-2H"	-2.014552
"824026"	204.188374	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-2H"	-2.014552
"80740"	819.775324	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M-H"	-1.007276
"522487"	1230.166624	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M-H"	-1.007276
"899195"	409.384024	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-H"	-1.007276
"55761"	836.801871	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M-2H+NH4"	16.019271
"496415"	1247.193171	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M-2H+NH4"	16.019271
"877499"	426.410571	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-2H+NH4"	16.019271
"46255"	841.757266	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M-2H+Na"	20.974666
"479493"	1252.148566	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M-2H+Na"	20.974666
"855107"	431.365966	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-2H+Na"	20.974666
"1625734"	431.365966	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Na-2H"	20.974666
"97159"	427.372363	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M-H+Cl"	33.962126
"540731"	632.568013	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M-H+Cl"	33.962126
"937526"	222.176713	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-H+Cl"	33.962126
"277176"	855.752002	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+Cl"	34.969402
"672879"	1266.143302	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+Cl"	34.969402
"1278720"	445.360702	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Cl"	34.969402
"20185"	857.731206	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M-2H+K"	36.948606
"464117"	1268.122506	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M-2H+K"	36.948606
"838638"	447.339906	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-2H+K"	36.948606
"1563220"	447.339906	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+K-2H"	36.948606
"953293"	455.389494	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-H+HCOOH"	44.998194
"370413"	865.780801	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+HCOOH-H"	44.998201
"352112"	879.796451	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+Hac-H"	59.013851
"1498758"	469.405151	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Hac-H"	59.013851
"964112"	477.371451	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-H+NaCOOH"	66.980151
"120674"	445.360702	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+2Cl"	69.938804
"560235"	650.556352	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+2Cl"	69.938804
"1031222"	240.165052	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2Cl"	69.938804
"1256272"	489.310185	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Br"	78.918885
"1315437"	491.366172	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Cl+HCOOH"	80.974872
"1333307"	513.348129	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Cl+NaCOOH"	102.956829
"924727"	523.376886	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M-H+CF3COOH"	112.985586
"1300701"	559.353564	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Cl+CF3COOH"	148.962264
"1377770"	375.378624	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H-2H2O"	-35.012676
"1391984"	393.3886	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H-H2O"	-17.0027
"291671"	821.789876	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+H"	1.007276
"680818"	1232.181176	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+H"	1.007276
"1359355"	411.398576	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H"	1.007276
"133337"	411.398576	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+2H"	2.014552
"575450"	616.594226	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+2H"	2.014552
"1048257"	206.202926	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2H"	2.014552
"212880"	274.601476	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+3H"	3.021828
"650253"	411.398576	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+3H"	3.021828
"1174210"	137.804376	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+3H"	3.021828
"429464"	838.816423	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+NH4"	18.033823
"794833"	1249.207723	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+NH4"	18.033823
"1684969"	428.425123	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+NH4"	18.033823
"336161"	419.9118495	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+H+NH4"	19.041099
"726401"	625.1074995	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+H+NH4"	19.041099
"1484594"	214.7161995	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H+NH4"	19.041099
"395257"	843.771818	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+Na"	22.989218
"755886"	1254.163118	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+Na"	22.989218
"1603619"	433.380518	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Na"	22.989218
"318035"	422.389547	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+H+Na"	23.996494
"708265"	627.585197	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+H+Na"	23.996494
"1462454"	217.193897	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H+Na"	23.996494
"1056431"	145.13169	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2H+Na"	25.00377
"1261391"	443.424786	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+CH3OH+H"	33.033486
"381784"	859.745758	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+K"	38.963158
"742051"	1270.137058	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+K"	38.963158
"1545198"	449.354458	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+K"	38.963158
"304563"	430.376517	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+H+K"	39.970434
"694432"	635.572167	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+H+K"	39.970434
"1450804"	225.180867	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H+K"	39.970434
"241592"	862.816426	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+ACN+H"	42.033826
"1211383"	452.425126	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+ACN+H"	42.033826
"1204745"	226.716201	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+ACN+2H"	43.041102
"191420"	865.75376	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+2Na-H"	44.97116
"636082"	1276.14506	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+2Na-H"	44.97116
"1134115"	455.36246	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2Na-H"	44.97116
"174009"	433.380518	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+2Na"	45.978436
"614797"	638.576168	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+2Na"	45.978436
"1117936"	228.184868	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2Na"	45.978436
"1399397"	152.459004	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H+2Na"	46.985712
"1430421"	457.404046	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H+HCOOH"	47.012746
"220518"	438.41354	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+3H2O+2H"	56.04448
"1508825"	471.45609	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+IsoProp+H"	61.06479
"411391"	441.367488	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+Na+K"	61.952376
"770554"	646.563138	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+Na+K"	61.952376
"1666768"	236.171838	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Na+K"	61.952376
"252315"	884.798368	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+ACN+Na"	64.015768
"1227941"	474.407068	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+ACN+Na"	64.015768
"1714155"	474.430593	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+NH4+HCOOH"	64.039293
"1180360"	159.786318	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+3Na"	68.967654
"1651830"	479.385988	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Na+HCOOH"	68.994688
"158086"	897.70164	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+2K-H"	76.91904
"597563"	1308.09294	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+2K-H"	76.91904
"1084707"	487.31034	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2K-H"	76.91904
"142011"	449.354458	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"2M+2K"	77.926316
"588140"	654.550108	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"3M+2K"	77.926316
"1073747"	244.158808	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2K"	77.926316
"1114872"	489.324892	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2K+H"	78.933592
"1347724"	489.412507	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+DMSO+H"	79.021207
"1019538"	493.451676	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2ACN+H"	83.060376
"1535473"	494.445308	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+IsoProp+Na+H"	84.054008
"998647"	247.229476	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+2ACN+2H"	84.067652
"1599711"	495.359928	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+K+HCOOH"	84.968628
"1423185"	525.391438	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+H+CF3COOH"	115.000138
"1160036"	267.742751	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+3ACN+2H"	125.094202
"1710680"	542.417985	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+NH4+CF3COOH"	132.026685
"1645236"	547.37338	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+Na+CF3COOH"	136.98208
"1585260"	563.34732	"C06310"	"Diploptene;22(29)-Hopene;Hop-22(29)-ene"	"C30H50"	"410.3913"	"M+K+CF3COOH"	152.95602
"809065"	262.0454	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M"	0
"974698"	243.02701	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H2O-H"	-19.01839
"63195"	173.689657333333	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-3H"	-3.021828
"503467"	261.038124	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-3H"	-3.021828
"882729"	86.3411906666666	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-3H"	-3.021828
"938"	261.038124	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H"	-2.014552
"441592"	392.060824	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H"	-2.014552
"818667"	130.015424	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H"	-2.014552
"80480"	523.083524	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-H"	-1.007276
"520772"	785.128924	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-H"	-1.007276
"897845"	261.038124	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H"	-1.007276
"48577"	540.110071	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+NH4"	16.019271
"496525"	802.155471	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+NH4"	16.019271
"874328"	278.064671	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+NH4"	16.019271
"37853"	545.065466	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+Na"	20.974666
"474862"	807.110866	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+Na"	20.974666
"850110"	283.020066	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+Na"	20.974666
"1621470"	283.020066	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na-2H"	20.974666
"96537"	279.026463	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-H+Cl"	33.962126
"535612"	410.049163	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-H+Cl"	33.962126
"928033"	148.003763	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+Cl"	33.962126
"270724"	559.060202	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Cl"	34.969402
"671896"	821.105602	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+Cl"	34.969402
"1278830"	297.014802	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl"	34.969402
"20294"	561.039406	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M-2H+K"	36.948606
"462040"	823.084806	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M-2H+K"	36.948606
"835469"	298.994006	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-2H+K"	36.948606
"1557498"	298.994006	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K-2H"	36.948606
"953403"	307.043594	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+HCOOH"	44.998194
"370160"	569.089001	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+HCOOH-H"	44.998201
"352222"	583.104651	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Hac-H"	59.013851
"1497773"	321.059251	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Hac-H"	59.013851
"964222"	329.025551	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+NaCOOH"	66.980151
"118597"	297.014802	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Cl"	69.938804
"562533"	428.037502	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Cl"	69.938804
"1032425"	165.992102	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2Cl"	69.938804
"1256624"	340.964285	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Br"	78.918885
"1317006"	343.020272	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+HCOOH"	80.974872
"1334145"	365.002229	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+NaCOOH"	102.956829
"926539"	375.030986	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M-H+CF3COOH"	112.985586
"1303691"	411.007664	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Cl+CF3COOH"	148.962264
"1377880"	227.032724	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H-2H2O"	-35.012676
"1396104"	245.0427	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H-H2O"	-17.0027
"291783"	525.098076	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H"	1.007276
"682021"	787.143476	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H"	1.007276
"1362749"	263.052676	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H"	1.007276
"137095"	263.052676	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2H"	2.014552
"578478"	394.075376	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2H"	2.014552
"1050558"	132.029976	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2H"	2.014552
"212990"	175.704209333333	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H"	3.021828
"651457"	263.052676	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+3H"	3.021828
"1176387"	88.3557426666667	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+3H"	3.021828
"431761"	542.124623	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+NH4"	18.033823
"796402"	804.170023	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+NH4"	18.033823
"1685809"	280.079223	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4"	18.033823
"336275"	271.5659495	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+NH4"	19.041099
"726511"	402.5886495	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+NH4"	19.041099
"1483611"	140.5432495	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+NH4"	19.041099
"396822"	547.080018	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na"	22.989218
"756725"	809.125418	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na"	22.989218
"1607015"	285.034618	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na"	22.989218
"321426"	274.043647	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+Na"	23.996494
"711662"	405.066347	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+Na"	23.996494
"1464387"	143.020947	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+Na"	23.996494
"1057635"	95.6830566666666	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2H+Na"	25.00377
"1260408"	295.078886	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+CH3OH+H"	33.033486
"382262"	563.053958	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+K"	38.963158
"745445"	825.099358	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+K"	38.963158
"1543853"	301.008558	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K"	38.963158
"303582"	282.030617	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+H+K"	39.970434
"697094"	413.053317	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+H+K"	39.970434
"1450914"	151.007917	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+K"	39.970434
"242796"	566.124626	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+H"	42.033826
"1210680"	304.079226	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+H"	42.033826
"1203763"	152.543251	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+2H"	43.041102
"190801"	569.06196	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na-H"	44.97116
"636193"	831.10736	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na-H"	44.97116
"1133497"	307.01656	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na-H"	44.97116
"173753"	285.034618	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2Na"	45.978436
"612871"	416.057318	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2Na"	45.978436
"1116340"	154.011918	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2Na"	45.978436
"1399020"	103.010370666667	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+2Na"	46.985712
"1429893"	309.058146	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+HCOOH"	47.012746
"220221"	290.06764	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+3H2O+2H"	56.04448
"1509016"	323.11019	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+H"	61.06479
"410407"	293.021588	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+Na+K"	61.952376
"770080"	424.044288	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+Na+K"	61.952376
"1666514"	161.998888	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+K"	61.952376
"251697"	588.106568	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+ACN+Na"	64.015768
"1229510"	326.061168	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+ACN+Na"	64.015768
"1714386"	326.084693	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+HCOOH"	64.039293
"1180470"	110.337684666667	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+3Na"	68.967654
"1652913"	331.040088	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+HCOOH"	68.994688
"158440"	601.00984	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K-H"	76.91904
"599703"	863.05524	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K-H"	76.91904
"1084250"	338.96444	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2K-H"	76.91904
"141635"	301.008558	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"2M+2K"	77.926316
"586064"	432.031258	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"3M+2K"	77.926316
"1073856"	169.985858	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2K"	77.926316
"1115098"	340.978992	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2K+H"	78.933592
"1347834"	341.066607	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+DMSO+H"	79.021207
"1018553"	345.105776	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+H"	83.060376
"1533397"	346.099408	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+IsoProp+Na+H"	84.054008
"999850"	173.056526	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+2ACN+2H"	84.067652
"1595448"	347.014028	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K+HCOOH"	84.968628
"1422203"	377.045538	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+H+CF3COOH"	115.000138
"1156866"	193.569801	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+3ACN+2H"	125.094202
"1709696"	394.072085	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+NH4+CF3COOH"	132.026685
"1648994"	399.02748	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+Na+CF3COOH"	136.98208
"1585370"	415.00142	"C06311"	"Galactitol 1-phosphate;L-Galactitol 1-phosphate;D-Galactitol 6-phosphate"	"C6H15O9P"	"262.0454"	"M+K+CF3COOH"	152.95602
"805895"	260.0297	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"974686"	241.01131	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"63205"	172.345857333333	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"503162"	259.022424	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"881744"	85.6692906666667	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"2506"	259.022424	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"442062"	389.037274	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"818771"	129.007574	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"80953"	519.052124	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"522702"	779.081824	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"899413"	259.022424	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"49052"	536.078671	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"497728"	796.108371	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"873345"	276.048971	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"36869"	541.034066	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"474971"	801.063766	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"849490"	281.004366	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1622673"	281.004366	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"95555"	277.010763	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"535601"	407.025613	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"927901"	146.995913	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"270834"	555.028802	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"667631"	815.058502	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1278940"	294.999102	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"21497"	557.008006	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"459963"	817.037706	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"839953"	296.978306	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1563440"	296.978306	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"950230"	305.027894	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"371727"	565.057601	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"354519"	579.073251	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1502258"	319.043551	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"972962"	327.009851	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"124055"	294.999102	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"562643"	425.013952	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1031443"	164.984252	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1255032"	338.948585	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1319304"	341.004572	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1332791"	362.986529	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"925672"	373.015286	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1303839"	408.991964	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1381272"	225.017024	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1396580"	243.027	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"289705"	521.066676	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"684324"	781.096376	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1360673"	261.036976	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"135018"	261.036976	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"568745"	391.051826	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1040824"	131.022126	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"206904"	174.360409333333	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"648287"	261.036976	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1164953"	87.6838426666667	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"426405"	538.093223	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"790681"	798.122923	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1687012"	278.063523	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"336384"	269.5502495	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"728078"	399.5650995	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1485908"	139.5353995	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"398027"	543.048618	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"756471"	803.078318	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1604940"	283.018918	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"316070"	272.027947	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"712866"	402.042797	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1465590"	142.013097	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1055559"	95.0111566666667	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1259425"	293.063186	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"381278"	559.022558	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"744462"	819.052258	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1543235"	298.992858	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"301505"	280.014917	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"697205"	410.029767	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1452119"	150.000067	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"235856"	562.093226	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1210263"	302.063526	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1202779"	151.535401	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"190182"	565.03056	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"635210"	825.06026	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1133241"	305.00086	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"173747"	283.018918	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"613310"	413.033768	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1116207"	153.004068	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1398598"	102.338470666667	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1430427"	307.042446	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"220127"	288.05194	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1508833"	321.09449	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"408936"	291.005888	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"770029"	421.020738	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1666219"	160.991038	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"252538"	584.075168	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1229621"	324.045468	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1715226"	324.068993	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1180581"	109.665784666667	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1651929"	329.024388	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"158430"	596.97844	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"597989"	857.00814	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1085051"	336.94874	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"142962"	298.992858	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"585081"	429.007708	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1069958"	168.978008	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1115087"	338.963292	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1339196"	339.050907	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1019755"	343.090076	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1532413"	344.083708	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"1001055"	172.048676	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1595558"	344.998328	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1419033"	375.029838	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1156976"	192.561951	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1708713"	392.056385	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1649467"	397.01178	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1585480"	412.98572	"C06312"	"L-Tagatose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"806005"	237.0862	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M"	0
"974794"	218.06781	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-H2O-H"	-19.01839
"63522"	157.050190666667	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M-3H"	-3.021828
"503565"	236.078924	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M-3H"	-3.021828
"881855"	78.0214573333333	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-3H"	-3.021828
"3709"	236.078924	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M-2H"	-2.014552
"440839"	354.622024	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M-2H"	-2.014552
"819247"	117.535824	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-2H"	-2.014552
"82159"	473.165124	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M-H"	-1.007276
"522812"	710.251324	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M-H"	-1.007276
"900616"	236.078924	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-H"	-1.007276
"50620"	490.191671	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M-2H+NH4"	16.019271
"496745"	727.277871	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M-2H+NH4"	16.019271
"871269"	253.105471	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-2H+NH4"	16.019271
"33702"	495.147066	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M-2H+Na"	20.974666
"474353"	732.233266	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M-2H+Na"	20.974666
"849961"	258.060866	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-2H+Na"	20.974666
"1620596"	258.060866	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Na-2H"	20.974666
"94568"	254.067263	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M-H+Cl"	33.962126
"534267"	372.610363	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M-H+Cl"	33.962126
"927645"	135.524163	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-H+Cl"	33.962126
"267418"	509.141802	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+Cl"	34.969402
"662274"	746.228002	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+Cl"	34.969402
"1273584"	272.055602	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Cl"	34.969402
"18328"	511.121006	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M-2H+K"	36.948606
"458981"	748.207206	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M-2H+K"	36.948606
"836783"	274.034806	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-2H+K"	36.948606
"1560270"	274.034806	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+K-2H"	36.948606
"945967"	282.084394	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-H+HCOOH"	44.998194
"369650"	519.170601	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+HCOOH-H"	44.998201
"354628"	533.186251	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+Hac-H"	59.013851
"1502368"	296.100051	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Hac-H"	59.013851
"973806"	304.066351	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-H+NaCOOH"	66.980151
"123193"	272.055602	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+2Cl"	69.938804
"564576"	390.598702	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+2Cl"	69.938804
"1033740"	153.512502	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2Cl"	69.938804
"1255142"	316.005085	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Br"	78.918885
"1317227"	318.061072	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Cl+HCOOH"	80.974872
"1331078"	340.043029	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Cl+NaCOOH"	102.956829
"922136"	350.071786	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M-H+CF3COOH"	112.985586
"1302126"	386.048464	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Cl+CF3COOH"	148.962264
"1379193"	202.073524	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H-2H2O"	-35.012676
"1393408"	220.0835	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H-H2O"	-17.0027
"287629"	475.179676	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+H"	1.007276
"686620"	712.265876	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+H"	1.007276
"1361511"	238.093476	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H"	1.007276
"135855"	238.093476	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+2H"	2.014552
"572135"	356.636576	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+2H"	2.014552
"1043121"	119.550376	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2H"	2.014552
"206649"	159.064742666667	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+3H"	3.021828
"650583"	238.093476	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+3H"	3.021828
"1166522"	80.0360093333333	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+3H"	3.021828
"428702"	492.206223	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+NH4"	18.033823
"790791"	729.292423	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+NH4"	18.033823
"1689311"	255.120023	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+NH4"	18.033823
"336496"	246.6067495	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+H+NH4"	19.041099
"734389"	365.1498495	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+H+NH4"	19.041099
"1481646"	128.0636495	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H+NH4"	19.041099
"399231"	497.161618	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+Na"	22.989218
"758040"	734.247818	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+Na"	22.989218
"1605050"	260.075418	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Na"	22.989218
"319460"	249.084447	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+H+Na"	23.996494
"716256"	367.627547	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+H+Na"	23.996494
"1466795"	130.541347	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H+Na"	23.996494
"1061138"	87.3633233333333	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2H+Na"	25.00377
"1262814"	270.119686	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+CH3OH+H"	33.033486
"383575"	513.135558	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+K"	38.963158
"742385"	750.221758	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+K"	38.963158
"1544439"	276.049358	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+K"	38.963158
"305988"	257.071417	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+H+K"	39.970434
"698408"	375.614517	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+H+K"	39.970434
"1452229"	138.528317	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H+K"	39.970434
"235833"	516.206226	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+ACN+H"	42.033826
"1210621"	279.120026	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+ACN+H"	42.033826
"1197422"	140.063651	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+ACN+2H"	43.041102
"191751"	519.14356	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+2Na-H"	44.97116
"634227"	756.22976	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+2Na-H"	44.97116
"1133356"	282.05736	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2Na-H"	44.97116
"173734"	260.075418	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+2Na"	45.978436
"613175"	378.618518	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+2Na"	45.978436
"1115951"	141.532318	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2Na"	45.978436
"1398516"	94.6906373333333	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H+2Na"	46.985712
"1430378"	284.098946	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H+HCOOH"	47.012746
"220073"	265.10844	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+3H2O+2H"	56.04448
"1508587"	298.15099	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+IsoProp+H"	61.06479
"408609"	268.062388	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+Na+K"	61.952376
"769970"	386.605488	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+Na+K"	61.952376
"1666613"	149.519288	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Na+K"	61.952376
"252405"	538.188168	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+ACN+Na"	64.015768
"1229366"	301.101968	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+ACN+Na"	64.015768
"1718252"	301.125493	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+NH4+HCOOH"	64.039293
"1181421"	102.017951333333	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+3Na"	68.967654
"1653498"	306.080888	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Na+HCOOH"	68.994688
"158417"	551.09144	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+2K-H"	76.91904
"598221"	788.17764	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+2K-H"	76.91904
"1084716"	314.00524	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2K-H"	76.91904
"142464"	276.049358	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"2M+2K"	77.926316
"585191"	394.592458	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"3M+2K"	77.926316
"1072984"	157.506258	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2K"	77.926316
"1107290"	316.019792	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2K+H"	78.933592
"1341492"	316.107407	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+DMSO+H"	79.021207
"1018771"	320.146576	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2ACN+H"	83.060376
"1528148"	321.140208	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+IsoProp+Na+H"	84.054008
"1001165"	160.576926	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+2ACN+2H"	84.067652
"1595668"	322.054828	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+K+HCOOH"	84.968628
"1421329"	352.086338	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+H+CF3COOH"	115.000138
"1155993"	181.090201	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+3ACN+2H"	125.094202
"1709916"	369.112885	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+NH4+CF3COOH"	132.026685
"1649700"	374.06828	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+Na+CF3COOH"	136.98208
"1585590"	390.04222	"C06313"	"Biopterin;2-Amino-6-(12-dihydroxypropyl)-4(1H)-pteridinone"	"C9H11N5O3"	"237.0862"	"M+K+CF3COOH"	152.95602
"809395"	352.225	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M"	0
"977823"	333.20661	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"67887"	233.809390666667	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"508537"	351.217724	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"885246"	116.401057333333	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"6008"	351.217724	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"445566"	527.330224	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"823369"	175.105224	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"83365"	703.442724	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"526206"	1055.667724	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"902914"	351.217724	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"49636"	720.469271	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"500135"	1072.694271	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"873566"	368.244271	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"39280"	725.424666	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"476653"	1077.649666	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"850443"	373.199666	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1625080"	373.199666	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"108172"	369.206063	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"546639"	545.318563	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"939061"	193.093563	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"278709"	739.419402	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"665665"	1091.644402	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1283537"	387.194402	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"24998"	741.398606	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"461278"	1093.623606	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"842359"	389.173606	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1565847"	389.173606	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"955191"	397.223194	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"371947"	749.448201	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"361324"	763.463851	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1507909"	411.238851	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"973678"	419.205151	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"125254"	387.194402	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"563602"	563.306902	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1036039"	211.081902	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1256355"	431.143885	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1319698"	433.199872	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1335200"	455.181829	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"927032"	465.210586	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1303209"	501.187264	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1382639"	317.212324	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1398222"	335.2223	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"293206"	705.457276	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"690012"	1057.682276	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1363807"	353.232276	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H"	1.007276
"136695"	353.232276	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"574431"	529.344776	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1046511"	177.119776	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"207121"	235.823942666667	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"649597"	353.232276	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1168818"	118.415609333333	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"430996"	722.483823	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"794183"	1074.708823	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1685046"	370.258823	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"334417"	361.7455495	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"727931"	537.8580495	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1485036"	185.6330495	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"397155"	727.439218	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"762524"	1079.664218	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1609527"	375.214218	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"318476"	364.223247	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"710898"	540.335747	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1470186"	188.110747	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1066350"	125.742923333333	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1266205"	385.258486	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"384780"	743.413158	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"746869"	1095.638158	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1548922"	391.188158	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K"	38.963158
"305005"	372.210217	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"699611"	548.322717	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1453431"	196.097717	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"240940"	746.483826	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1213284"	394.258826	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1203000"	197.633051	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"191861"	749.42116	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"635431"	1101.64616	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1134926"	397.19616	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"174332"	375.214218	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"619614"	551.326718	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1123120"	199.101718	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1403365"	133.070237333333	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1435481"	399.237746	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"222988"	380.24724	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1508450"	413.28979	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"412926"	383.201188	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"770639"	559.313688	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1670250"	207.088688	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"254583"	768.465768	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1230571"	416.240768	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1716177"	416.264293	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1182625"	140.397551333333	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1657983"	421.219688	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"160473"	781.36904	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"598573"	1133.59404	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1084909"	429.14404	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"143912"	391.188158	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"583842"	567.300658	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1071636"	215.075658	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1107400"	431.158592	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1343789"	431.246207	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1017788"	435.285376	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1529350"	436.279008	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"1000182"	218.146326	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1600152"	437.193628	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1424720"	467.225138	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1162178"	238.659601	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1710026"	484.251685	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1648958"	489.20708	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1585700"	505.18102	"C06314"	"Lipoxin A4;LXA4;5S6R15S-Trihydroxy-7E9E11Z13E-eicosatetraenoic acid;(7E9E11Z13E)-(5S6R15S)-5615-Trihydroxyicosa-791113-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"804038"	352.225	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M"	0
"974773"	333.20661	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"63621"	233.809390666667	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"504638"	351.217724	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"883169"	116.401057333333	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"3929"	351.217724	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"442397"	527.330224	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"825666"	175.105224	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"81653"	703.442724	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"525222"	1055.667724	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"901931"	351.217724	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"50841"	720.469271	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"499152"	1072.694271	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"868209"	368.244271	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"41578"	725.424666	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"477856"	1077.649666	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"851282"	373.199666	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1625190"	373.199666	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"108161"	369.206063	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"546748"	545.318563	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"938078"	193.093563	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"276632"	739.419402	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"669055"	1091.644402	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1283646"	387.194402	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"22920"	741.398606	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"462478"	1093.623606	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"838092"	389.173606	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1562675"	389.173606	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"949468"	397.223194	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"368044"	749.448201	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"360562"	763.463851	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1507572"	411.238851	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"973301"	419.205151	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"124149"	387.194402	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"564441"	563.306902	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1036149"	211.081902	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1257040"	431.143885	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1319523"	433.199872	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1335310"	455.181829	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"926732"	465.210586	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1299065"	501.187264	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1378319"	317.212324	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1396913"	335.2223	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"293316"	705.457276	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"690111"	1057.682276	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1363178"	353.232276	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H"	1.007276
"137169"	353.232276	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"573448"	529.344776	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1044434"	177.119776	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"207961"	235.823942666667	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"647884"	353.232276	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1170020"	118.415609333333	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"430011"	722.483823	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"792101"	1074.708823	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1689529"	370.258823	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"336714"	361.7455495	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"731321"	537.8580495	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1485146"	185.6330495	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"402732"	727.439218	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"763728"	1079.664218	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1606357"	375.214218	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"318585"	364.223247	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"711008"	540.335747	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1467016"	188.110747	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1066824"	125.742923333333	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1268502"	385.258486	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"385983"	743.413158	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"745885"	1095.638158	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1549032"	391.188158	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K"	38.963158
"304022"	372.210217	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"700814"	548.322717	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1455727"	196.097717	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"243237"	746.483826	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1214852"	394.258826	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1203110"	197.633051	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"193794"	749.42116	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"637728"	1101.64616	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1140140"	397.19616	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"177598"	375.214218	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"620814"	551.326718	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1124319"	199.101718	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1399461"	133.070237333333	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1430599"	399.237746	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"221153"	380.24724	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1508969"	413.28979	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"413036"	383.201188	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"771234"	559.313688	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1670360"	207.088688	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"254693"	768.465768	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1231774"	416.240768	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1717381"	416.264293	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1188202"	140.397551333333	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1656999"	421.219688	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"162040"	781.36904	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"599777"	1133.59404	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1087572"	429.14404	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"144751"	391.188158	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"583224"	567.300658	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1071382"	215.075658	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1106417"	431.158592	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1342803"	431.246207	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1013524"	435.285376	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1529461"	436.279008	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"1000292"	218.146326	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1598075"	437.193628	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1427746"	467.225138	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1162290"	238.659601	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1710136"	484.251685	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1647974"	489.20708	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1585810"	505.18102	"C06315"	"Lipoxin B4;LXB4;5S14R15S-Trihydroxy-6E8Z10E12E-eicosatetraenoic acid;(6E8Z10E12E)-(5S14R15S)-Trihydroxyicosa-681012-tetraenoic acid"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"812896"	146.0215	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M"	0
"983149"	127.00311	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-H2O-H"	-19.01839
"68108"	96.3403906666667	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M-3H"	-3.021828
"505482"	145.014224	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M-3H"	-3.021828
"882189"	47.6665573333333	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-3H"	-3.021828
"5135"	145.014224	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M-2H"	-2.014552
"443603"	218.024974	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M-2H"	-2.014552
"820316"	72.003474	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-2H"	-2.014552
"80670"	291.035724	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M-H"	-1.007276
"523149"	437.057224	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M-H"	-1.007276
"900948"	145.014224	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-H"	-1.007276
"62254"	308.062271	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M-2H+NH4"	16.019271
"499262"	454.083771	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M-2H+NH4"	16.019271
"872693"	162.040771	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-2H+NH4"	16.019271
"43874"	313.017666	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M-2H+Na"	20.974666
"479060"	459.039166	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M-2H+Na"	20.974666
"853581"	166.996166	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-2H+Na"	20.974666
"1624207"	166.996166	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Na-2H"	20.974666
"107298"	163.002563	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M-H+Cl"	33.962126
"544671"	236.013313	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M-H+Cl"	33.962126
"940373"	89.991813	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-H+Cl"	33.962126
"272368"	327.012402	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+Cl"	34.969402
"671351"	473.033902	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+Cl"	34.969402
"1281568"	180.990902	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Cl"	34.969402
"25217"	328.991606	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M-2H+K"	36.948606
"463681"	475.013106	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M-2H+K"	36.948606
"838202"	182.970106	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-2H+K"	36.948606
"1564971"	182.970106	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+K-2H"	36.948606
"949578"	191.019694	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-H+HCOOH"	44.998194
"367791"	337.041201	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+HCOOH-H"	44.998201
"360429"	351.056851	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+Hac-H"	59.013851
"1507803"	205.035351	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Hac-H"	59.013851
"974195"	213.001651	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-H+NaCOOH"	66.980151
"125624"	180.990902	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+2Cl"	69.938804
"565406"	254.001652	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+2Cl"	69.938804
"1035164"	107.980152	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2Cl"	69.938804
"1256533"	224.940385	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Br"	78.918885
"1319390"	226.996372	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Cl+HCOOH"	80.974872
"1335550"	248.978329	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Cl+NaCOOH"	102.956829
"927047"	259.007086	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M-H+CF3COOH"	112.985586
"1298081"	294.983764	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Cl+CF3COOH"	148.962264
"1380617"	111.008824	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H-2H2O"	-35.012676
"1397751"	129.0188	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H-H2O"	-17.0027
"292332"	293.050276	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+H"	1.007276
"689859"	439.071776	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+H"	1.007276
"1366204"	147.028776	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H"	1.007276
"132904"	147.028776	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+2H"	2.014552
"573558"	220.039526	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+2H"	2.014552
"1043451"	74.018026	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2H"	2.014552
"206613"	98.3549426666667	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+3H"	3.021828
"647265"	147.028776	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+3H"	3.021828
"1166851"	49.6811093333333	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+3H"	3.021828
"427934"	310.076823	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+NH4"	18.033823
"794399"	456.098323	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+NH4"	18.033823
"1690730"	164.055323	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+NH4"	18.033823
"333544"	155.5420495	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+H+NH4"	19.041099
"733618"	228.5527995	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+H+NH4"	19.041099
"1485256"	82.5312995	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H+NH4"	19.041099
"402842"	315.032218	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+Na"	22.989218
"762745"	461.053718	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+Na"	22.989218
"1607563"	169.010718	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Na"	22.989218
"321976"	158.019747	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+H+Na"	23.996494
"712211"	231.030497	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+H+Na"	23.996494
"1467126"	85.008997	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H+Na"	23.996494
"1059278"	57.0084233333333	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2H+Na"	25.00377
"1267518"	179.054986	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+CH3OH+H"	33.033486
"383903"	331.006158	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+K"	38.963158
"750370"	477.027658	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+K"	38.963158
"1548049"	184.984658	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+K"	38.963158
"305224"	166.006717	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+H+K"	39.970434
"700927"	239.017467	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+H+K"	39.970434
"1452558"	92.995967	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H+K"	39.970434
"245534"	334.076826	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+ACN+H"	42.033826
"1213869"	188.055326	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+ACN+H"	42.033826
"1195927"	94.531301	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+ACN+2H"	43.041102
"190013"	337.01416	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+2Na-H"	44.97116
"631276"	483.03566	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+2Na-H"	44.97116
"1134051"	190.99266	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2Na-H"	44.97116
"174425"	169.010718	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+2Na"	45.978436
"620924"	242.021468	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+2Na"	45.978436
"1124429"	95.999968	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2Na"	45.978436
"1400786"	64.3357373333333	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H+2Na"	46.985712
"1431686"	193.034246	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H+HCOOH"	47.012746
"221749"	174.04374	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+3H2O+2H"	56.04448
"1510176"	207.08629	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+IsoProp+H"	61.06479
"416427"	176.997688	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+Na+K"	61.952376
"773048"	250.008438	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+Na+K"	61.952376
"1670471"	103.986938	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Na+K"	61.952376
"256989"	356.058768	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+ACN+Na"	64.015768
"1232976"	210.037268	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+ACN+Na"	64.015768
"1721865"	210.060793	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+NH4+HCOOH"	64.039293
"1190498"	71.6630513333333	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+3Na"	68.967654
"1657110"	215.016188	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Na+HCOOH"	68.994688
"163974"	368.96204	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+2K-H"	76.91904
"603534"	514.98354	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+2K-H"	76.91904
"1089502"	222.94054	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2K-H"	76.91904
"148142"	184.984658	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"2M+2K"	77.926316
"588806"	257.995408	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"3M+2K"	77.926316
"1072224"	111.973908	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2K"	77.926316
"1113097"	224.955092	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2K+H"	78.933592
"1344008"	225.042707	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+DMSO+H"	79.021207
"1014724"	229.081876	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2ACN+H"	83.060376
"1529567"	230.075508	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+IsoProp+Na+H"	84.054008
"996026"	115.044576	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+2ACN+2H"	84.067652
"1596000"	230.990128	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+K+HCOOH"	84.968628
"1423846"	261.021638	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+H+CF3COOH"	115.000138
"1158508"	135.557851	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+3ACN+2H"	125.094202
"1712432"	278.048185	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+NH4+CF3COOH"	132.026685
"1646989"	283.00358	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+Na+CF3COOH"	136.98208
"1579359"	298.97752	"C06316"	"Dehydro-D-arabinono-14-lactone;(5R)-34-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one"	"C5H6O5"	"146.0215"	"M+K+CF3COOH"	152.95602
"804258"	154.063	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M"	0
"974709"	135.04461	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-H2O-H"	-19.01839
"63315"	101.701390666667	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M-3H"	-3.021828
"505592"	153.055724	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M-3H"	-3.021828
"879953"	50.3470573333333	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-3H"	-3.021828
"4150"	153.055724	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M-2H"	-2.014552
"441525"	230.087224	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M-2H"	-2.014552
"819332"	76.024224	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-2H"	-2.014552
"78831"	307.118724	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M-H"	-1.007276
"523259"	461.181724	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M-H"	-1.007276
"896320"	153.055724	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-H"	-1.007276
"61999"	324.145271	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M-2H+NH4"	16.019271
"501560"	478.208271	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M-2H+NH4"	16.019271
"877907"	170.082271	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-2H+NH4"	16.019271
"46172"	329.100666	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M-2H+Na"	20.974666
"479170"	483.163666	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M-2H+Na"	20.974666
"853691"	175.037666	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-2H+Na"	20.974666
"1623224"	175.037666	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Na-2H"	20.974666
"104128"	171.044063	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M-H+Cl"	33.962126
"541501"	248.075563	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M-H+Cl"	33.962126
"938296"	94.012563	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-H+Cl"	33.962126
"274665"	343.095402	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+Cl"	34.969402
"668181"	497.158402	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+Cl"	34.969402
"1282771"	189.032402	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Cl"	34.969402
"24234"	345.074606	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M-2H+K"	36.948606
"461605"	499.137606	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M-2H+K"	36.948606
"835032"	191.011606	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-2H+K"	36.948606
"1563988"	191.011606	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+K-2H"	36.948606
"947499"	199.061194	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-H+HCOOH"	44.998194
"367899"	353.124201	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+HCOOH-H"	44.998201
"360297"	367.139851	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+Hac-H"	59.013851
"1506089"	213.076851	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Hac-H"	59.013851
"973759"	221.043151	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-H+NaCOOH"	66.980151
"125597"	189.032402	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+2Cl"	69.938804
"565518"	266.063902	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+2Cl"	69.938804
"1034910"	112.000902	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2Cl"	69.938804
"1256643"	232.981885	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Br"	78.918885
"1319458"	235.037872	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Cl+HCOOH"	80.974872
"1335331"	257.019829	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Cl+NaCOOH"	102.956829
"926720"	267.048586	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M-H+CF3COOH"	112.985586
"1298921"	303.025264	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Cl+CF3COOH"	148.962264
"1381703"	119.050324	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H-2H2O"	-35.012676
"1397740"	137.0603	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H-H2O"	-17.0027
"295359"	309.133276	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+H"	1.007276
"689240"	463.196276	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+H"	1.007276
"1364492"	155.070276	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H"	1.007276
"131916"	155.070276	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+2H"	2.014552
"573668"	232.101776	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+2H"	2.014552
"1039186"	78.038776	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2H"	2.014552
"206358"	103.715942666667	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+3H"	3.021828
"646283"	155.070276	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+3H"	3.021828
"1166961"	52.3616093333333	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+3H"	3.021828
"431327"	326.159823	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+NH4"	18.033823
"794509"	480.222823	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+NH4"	18.033823
"1690840"	172.096823	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+NH4"	18.033823
"334747"	163.5835495	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+H+NH4"	19.041099
"730448"	240.6150495	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+H+NH4"	19.041099
"1484272"	86.5520495	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H+NH4"	19.041099
"402952"	331.115218	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+Na"	22.989218
"761760"	485.178218	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+Na"	22.989218
"1614236"	177.052218	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Na"	22.989218
"323181"	166.061247	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+H+Na"	23.996494
"715601"	243.092747	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+H+Na"	23.996494
"1468329"	89.029747	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H+Na"	23.996494
"1058295"	59.6889233333333	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2H+Na"	25.00377
"1267628"	187.096486	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+CH3OH+H"	33.033486
"384013"	347.089158	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+K"	38.963158
"747199"	501.152158	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+K"	38.963158
"1548159"	193.026158	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+K"	38.963158
"305335"	174.048217	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+H+K"	39.970434
"698848"	251.079717	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+H+K"	39.970434
"1449390"	97.016717	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H+K"	39.970434
"239082"	350.159826	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+ACN+H"	42.033826
"1217259"	196.096826	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+ACN+H"	42.033826
"1196767"	98.552051	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+ACN+2H"	43.041102
"188786"	353.09716	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+2Na-H"	44.97116
"628828"	507.16016	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+2Na-H"	44.97116
"1133799"	199.03416	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2Na-H"	44.97116
"174171"	177.052218	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+2Na"	45.978436
"618848"	254.083718	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+2Na"	45.978436
"1126727"	100.020718	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2Na"	45.978436
"1401505"	67.0162373333333	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H+2Na"	46.985712
"1434713"	201.075746	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H+HCOOH"	47.012746
"222952"	182.08524	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+3H2O+2H"	56.04448
"1512473"	215.12779	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+IsoProp+H"	61.06479
"411429"	185.039188	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+Na+K"	61.952376
"777531"	262.070688	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+Na+K"	61.952376
"1668393"	108.007688	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Na+K"	61.952376
"257462"	372.141768	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+ACN+Na"	64.015768
"1233087"	218.078768	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+ACN+Na"	64.015768
"1723068"	218.102293	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+NH4+HCOOH"	64.039293
"1191702"	74.3435513333333	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+3Na"	68.967654
"1657220"	223.057688	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Na+HCOOH"	68.994688
"161898"	385.04504	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+2K-H"	76.91904
"601457"	539.10804	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+2K-H"	76.91904
"1089249"	230.98204	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2K-H"	76.91904
"151532"	193.026158	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"2M+2K"	77.926316
"588916"	270.057658	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"3M+2K"	77.926316
"1073427"	115.994658	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2K"	77.926316
"1113815"	232.996592	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2K+H"	78.933592
"1344118"	233.084207	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+DMSO+H"	79.021207
"1011553"	237.123376	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2ACN+H"	83.060376
"1530771"	238.117008	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+IsoProp+Na+H"	84.054008
"993949"	119.065326	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+2ACN+2H"	84.067652
"1599390"	239.031628	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+K+HCOOH"	84.968628
"1420676"	269.063138	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+H+CF3COOH"	115.000138
"1156432"	139.578601	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+3ACN+2H"	125.094202
"1712690"	286.089685	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+NH4+CF3COOH"	132.026685
"1647099"	291.04508	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+Na+CF3COOH"	136.98208
"1579469"	307.01902	"C06317"	"Vanillyl alcohol;4-Hydroxy-3-methoxy-benzenemethanol;4-Hydroxy-3-methoxybenzyl alcohol;4-Hydroxy-3-methoxybenzenemethanol"	"C8H10O3"	"154.063"	"M+K+CF3COOH"	152.95602
"803275"	200.0321	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M"	0
"974618"	181.01371	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-H2O-H"	-19.01839
"63589"	132.347457333333	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M-3H"	-3.021828
"504973"	199.024824	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M-3H"	-3.021828
"880136"	65.6700906666667	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-3H"	-3.021828
"736"	199.024824	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M-2H"	-2.014552
"440784"	299.040874	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M-2H"	-2.014552
"820536"	99.008774	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-2H"	-2.014552
"79434"	399.056924	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M-H"	-1.007276
"523369"	599.089024	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M-H"	-1.007276
"897889"	199.024824	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-H"	-1.007276
"61750"	416.083471	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M-2H+NH4"	16.019271
"500577"	616.115571	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M-2H+NH4"	16.019271
"876562"	216.051371	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-2H+NH4"	16.019271
"43368"	421.038866	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M-2H+Na"	20.974666
"473813"	621.070966	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M-2H+Na"	20.974666
"853801"	221.006766	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-2H+Na"	20.974666
"1622240"	221.006766	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Na-2H"	20.974666
"100957"	217.013163	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M-H+Cl"	33.962126
"541611"	317.029213	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M-H+Cl"	33.962126
"937313"	116.997113	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-H+Cl"	33.962126
"269308"	435.033602	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+Cl"	34.969402
"668291"	635.065702	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+Cl"	34.969402
"1282881"	235.001502	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Cl"	34.969402
"25437"	437.012806	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M-2H+K"	36.948606
"462808"	637.044906	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M-2H+K"	36.948606
"835142"	236.980706	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-2H+K"	36.948606
"1564098"	236.980706	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+K-2H"	36.948606
"948702"	245.030294	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-H+HCOOH"	44.998194
"366916"	445.062401	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+HCOOH-H"	44.998201
"359920"	459.078051	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+Hac-H"	59.013851
"1505471"	259.045951	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Hac-H"	59.013851
"972291"	267.012251	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-H+NaCOOH"	66.980151
"124477"	235.001502	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+2Cl"	69.938804
"565547"	335.017552	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+2Cl"	69.938804
"1035751"	134.985452	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2Cl"	69.938804
"1256957"	278.950985	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Br"	78.918885
"1319487"	281.006972	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Cl+HCOOH"	80.974872
"1335157"	302.988929	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Cl+NaCOOH"	102.956829
"926458"	313.017686	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M-H+CF3COOH"	112.985586
"1299760"	348.994364	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Cl+CF3COOH"	148.962264
"1382382"	165.019424	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H-2H2O"	-35.012676
"1397242"	183.0294	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H-H2O"	-17.0027
"294376"	401.071476	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+H"	1.007276
"688618"	601.103576	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+H"	1.007276
"1362781"	201.039376	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H"	1.007276
"136035"	201.039376	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+2H"	2.014552
"570498"	301.055426	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+2H"	2.014552
"1038567"	101.023326	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2H"	2.014552
"204645"	134.362009333333	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+3H"	3.021828
"646391"	201.039376	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+3H"	3.021828
"1165247"	67.6846426666667	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+3H"	3.021828
"427062"	418.098023	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+NH4"	18.033823
"787328"	618.130123	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+NH4"	18.033823
"1687670"	218.065923	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+NH4"	18.033823
"332305"	209.5526495	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+H+NH4"	19.041099
"725091"	309.5686995	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+H+NH4"	19.041099
"1482194"	109.5365995	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H+NH4"	19.041099
"399782"	423.053418	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+Na"	22.989218
"762963"	623.085518	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+Na"	22.989218
"1614346"	223.021318	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Na"	22.989218
"327665"	212.030347	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+H+Na"	23.996494
"714618"	312.046397	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+H+Na"	23.996494
"1468439"	112.014297	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H+Na"	23.996494
"1059498"	75.0119566666667	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2H+Na"	25.00377
"1268831"	233.065586	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+CH3OH+H"	33.033486
"383030"	439.027358	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+K"	38.963158
"745122"	639.059458	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+K"	38.963158
"1548269"	238.995258	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+K"	38.963158
"306538"	220.017317	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+H+K"	39.970434
"696771"	320.033367	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+H+K"	39.970434
"1449500"	120.001267	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H+K"	39.970434
"240651"	442.098026	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+ACN+H"	42.033826
"1213360"	242.065926	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+ACN+H"	42.033826
"1195418"	121.536601	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+ACN+2H"	43.041102
"188892"	445.03536	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+2Na-H"	44.97116
"631859"	645.06746	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+2Na-H"	44.97116
"1132086"	245.00326	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2Na-H"	44.97116
"173308"	223.021318	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+2Na"	45.978436
"621875"	323.037368	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+2Na"	45.978436
"1125745"	123.005268	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2Na"	45.978436
"1403801"	82.3392706666667	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H+2Na"	46.985712
"1434094"	247.044846	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H+HCOOH"	47.012746
"221240"	228.05434	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+3H2O+2H"	56.04448
"1510760"	261.09689	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+IsoProp+H"	61.06479
"418828"	231.008288	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+Na+K"	61.952376
"782011"	331.024338	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+Na+K"	61.952376
"1669232"	130.992238	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Na+K"	61.952376
"256479"	464.079968	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+ACN+Na"	64.015768
"1233561"	264.047868	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+ACN+Na"	64.015768
"1722084"	264.071393	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+NH4+HCOOH"	64.039293
"1192785"	89.6665846666667	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+3Na"	68.967654
"1657695"	269.026788	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Na+HCOOH"	68.994688
"161641"	476.98324	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+2K-H"	76.91904
"601566"	677.01534	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+2K-H"	76.91904
"1088265"	276.95114	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2K-H"	76.91904
"147631"	238.995258	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"2M+2K"	77.926316
"591212"	339.011308	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"3M+2K"	77.926316
"1076817"	138.979208	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2K"	77.926316
"1114408"	278.965692	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2K+H"	78.933592
"1346414"	279.053307	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+DMSO+H"	79.021207
"1012757"	283.092476	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2ACN+H"	83.060376
"1531975"	284.086108	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+IsoProp+Na+H"	84.054008
"996247"	142.049876	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+2ACN+2H"	84.067652
"1596220"	285.000728	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+K+HCOOH"	84.968628
"1420786"	315.032238	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+H+CF3COOH"	115.000138
"1158729"	162.563151	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+3ACN+2H"	125.094202
"1712617"	332.058785	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+NH4+CF3COOH"	132.026685
"1648302"	337.01418	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+Na+CF3COOH"	136.98208
"1579579"	352.98812	"C06318"	"(3S4R)-34-Dihydroxycyclohexa-15-diene-14-dicarboxylate;(1R6S)-Dihydroxycyclohexa-24-diene-14-dicarboxylate;Terephthalate-12-cis-dihydrodiol;cis-45-Dihydroxycyclohexa-1(6)2-diene-14-dicarboxylate"	"C8H8O6"	"200.0321"	"M+K+CF3COOH"	152.95602
"803385"	896.3691	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M"	0
"974728"	877.35071	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-H2O-H"	-19.01839
"63105"	596.572124	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M-3H"	-3.021828
"506906"	895.361824	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M-3H"	-3.021828
"880484"	297.782424	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-3H"	-3.021828
"356"	895.361824	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M-2H"	-2.014552
"440775"	1343.546374	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M-2H"	-2.014552
"820646"	447.177274	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-2H"	-2.014552
"82824"	1791.730924	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M-H"	-1.007276
"523479"	2688.100024	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M-H"	-1.007276
"897999"	895.361824	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-H"	-1.007276
"59674"	1808.757471	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M-2H+NH4"	16.019271
"498136"	2705.126571	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M-2H+NH4"	16.019271
"875943"	912.388371	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-2H+NH4"	16.019271
"43115"	1813.712866	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M-2H+Na"	20.974666
"472830"	2710.081966	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M-2H+Na"	20.974666
"852818"	917.343766	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-2H+Na"	20.974666
"1621257"	917.343766	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Na-2H"	20.974666
"101067"	913.350163	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M-H+Cl"	33.962126
"541721"	1361.534713	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M-H+Cl"	33.962126
"937423"	465.165613	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-H+Cl"	33.962126
"269418"	1827.707602	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+Cl"	34.969402
"669495"	2724.076702	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+Cl"	34.969402
"1280805"	931.338502	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Cl"	34.969402
"24454"	1829.686806	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M-2H+K"	36.948606
"459639"	2726.055906	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M-2H+K"	36.948606
"837441"	933.317706	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-2H+K"	36.948606
"1565303"	933.317706	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+K-2H"	36.948606
"946626"	941.367294	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-H+HCOOH"	44.998194
"365934"	1837.736401	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+HCOOH-H"	44.998201
"360766"	1851.752051	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+Hac-H"	59.013851
"1503028"	955.382951	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Hac-H"	59.013851
"971307"	963.349251	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-H+NaCOOH"	66.980151
"123129"	931.338502	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+2Cl"	69.938804
"565334"	1379.523052	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+2Cl"	69.938804
"1034038"	483.153952	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2Cl"	69.938804
"1256541"	975.287985	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Br"	78.918885
"1319112"	977.343972	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Cl+HCOOH"	80.974872
"1334172"	999.325929	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Cl+NaCOOH"	102.956829
"927053"	1009.354686	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M-H+CF3COOH"	112.985586
"1301329"	1045.331364	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Cl+CF3COOH"	148.962264
"1380464"	861.356424	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H-2H2O"	-35.012676
"1395165"	879.3664	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H-H2O"	-17.0027
"295215"	1793.745476	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+H"	1.007276
"688363"	2690.114576	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+H"	1.007276
"1361432"	897.376376	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H"	1.007276
"138333"	897.376376	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+2H"	2.014552
"567690"	1345.560926	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+2H"	2.014552
"1040498"	449.191826	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2H"	2.014552
"204793"	598.586676	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+3H"	3.021828
"646137"	897.376376	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+3H"	3.021828
"1167179"	299.796976	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+3H"	3.021828
"426077"	1810.772023	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+NH4"	18.033823
"794727"	2707.141123	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+NH4"	18.033823
"1684864"	914.402923	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+NH4"	18.033823
"332051"	905.8896495	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+H+NH4"	19.041099
"723498"	1354.0741995	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+H+NH4"	19.041099
"1482304"	457.7050995	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H+NH4"	19.041099
"400985"	1815.727418	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+Na"	22.989218
"764166"	2712.096518	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+Na"	22.989218
"1613363"	919.358318	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Na"	22.989218
"327411"	908.367347	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+H+Na"	23.996494
"715821"	1356.551897	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+H+Na"	23.996494
"1468548"	460.182797	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H+Na"	23.996494
"1062887"	307.12429	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2H+Na"	25.00377
"1265661"	929.402586	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+CH3OH+H"	33.033486
"382409"	1831.701358	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+K"	38.963158
"741950"	2728.070458	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+K"	38.963158
"1548379"	935.332258	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+K"	38.963158
"305554"	916.354317	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+H+K"	39.970434
"695422"	1364.538867	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+H+K"	39.970434
"1451797"	468.169767	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H+K"	39.970434
"245866"	1834.772026	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+ACN+H"	42.033826
"1214563"	938.402926	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+ACN+H"	42.033826
"1198447"	469.705101	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+ACN+2H"	43.041102
"192046"	1837.70936	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+2Na-H"	44.97116
"630876"	2734.07846	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+2Na-H"	44.97116
"1133290"	941.34026	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2Na-H"	44.97116
"175854"	919.358318	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+2Na"	45.978436
"619069"	1367.542868	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+2Na"	45.978436
"1126584"	471.173768	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2Na"	45.978436
"1405004"	314.451604	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H+2Na"	46.985712
"1436027"	943.381846	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H+HCOOH"	47.012746
"232647"	924.39134	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+3H2O+2H"	56.04448
"1515974"	957.43389	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+IsoProp+H"	61.06479
"412378"	927.345288	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+Na+K"	61.952376
"777747"	1375.529838	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+Na+K"	61.952376
"1675541"	479.160738	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Na+K"	61.952376
"257319"	1856.753968	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+ACN+Na"	64.015768
"1232214"	960.384868	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+ACN+Na"	64.015768
"1724381"	960.408393	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+NH4+HCOOH"	64.039293
"1193510"	321.778918	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+3Na"	68.967654
"1658536"	965.363788	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Na+HCOOH"	68.994688
"163573"	1869.65724	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+2K-H"	76.91904
"601312"	2766.02634	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+2K-H"	76.91904
"1090563"	973.28814	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2K-H"	76.91904
"147741"	935.332258	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"2M+2K"	77.926316
"591323"	1383.516808	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"3M+2K"	77.926316
"1075833"	487.147708	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2K"	77.926316
"1112328"	975.302692	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2K+H"	78.933592
"1346525"	975.390307	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+DMSO+H"	79.021207
"1010680"	979.429476	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2ACN+H"	83.060376
"1529897"	980.423108	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+IsoProp+Na+H"	84.054008
"1002190"	490.218376	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+2ACN+2H"	84.067652
"1600705"	981.337728	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+K+HCOOH"	84.968628
"1421991"	1011.369238	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+H+CF3COOH"	115.000138
"1156652"	510.731651	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+3ACN+2H"	125.094202
"1712622"	1028.395785	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+NH4+CF3COOH"	132.026685
"1648412"	1033.35118	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+Na+CF3COOH"	136.98208
"1579689"	1049.32512	"C06319"	"Precorrin 6Y;Precorrin 6B"	"C44H56N4O16"	"896.3691"	"M+K+CF3COOH"	152.95602
"803495"	894.3535	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M"	0
"975323"	875.33511	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-H2O-H"	-19.01839
"64173"	595.228390666667	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M-3H"	-3.021828
"505193"	893.346224	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M-3H"	-3.021828
"880556"	297.110557333333	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-3H"	-3.021828
"2293"	893.346224	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M-2H"	-2.014552
"441976"	1340.522974	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M-2H"	-2.014552
"818568"	446.169474	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-2H"	-2.014552
"82934"	1787.699724	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M-H"	-1.007276
"521765"	2682.053224	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M-H"	-1.007276
"899201"	893.346224	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-H"	-1.007276
"59779"	1804.726271	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M-2H+NH4"	16.019271
"497515"	2699.079771	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M-2H+NH4"	16.019271
"869853"	910.372771	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-2H+NH4"	16.019271
"39941"	1809.681666	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M-2H+Na"	20.974666
"473061"	2704.035166	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M-2H+Na"	20.974666
"849159"	915.328166	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-2H+Na"	20.974666
"1620270"	915.328166	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Na-2H"	20.974666
"101177"	911.334563	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M-H+Cl"	33.962126
"541831"	1358.511313	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M-H+Cl"	33.962126
"929878"	464.157813	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-H+Cl"	33.962126
"272808"	1823.676402	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+Cl"	34.969402
"660856"	2718.029902	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+Cl"	34.969402
"1276539"	929.322902	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Cl"	34.969402
"17393"	1825.655606	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M-2H+K"	36.948606
"459749"	2720.009106	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M-2H+K"	36.948606
"839738"	931.302106	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-2H+K"	36.948606
"1563226"	931.302106	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+K-2H"	36.948606
"945641"	939.351694	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-H+HCOOH"	44.998194
"364221"	1833.705201	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+HCOOH-H"	44.998201
"360392"	1847.720851	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+Hac-H"	59.013851
"1504231"	953.367351	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Hac-H"	59.013851
"971782"	961.333651	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-H+NaCOOH"	66.980151
"123604"	929.322902	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+2Cl"	69.938804
"565361"	1376.499652	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+2Cl"	69.938804
"1033785"	482.146152	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2Cl"	69.938804
"1256652"	973.272385	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Br"	78.918885
"1319057"	975.328372	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Cl+HCOOH"	80.974872
"1334773"	997.310329	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Cl+NaCOOH"	102.956829
"926315"	1007.339086	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M-H+CF3COOH"	112.985586
"1298158"	1043.315764	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Cl+CF3COOH"	148.962264
"1378141"	859.340824	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H-2H2O"	-35.012676
"1394909"	877.3508	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H-H2O"	-17.0027
"293138"	1789.714276	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+H"	1.007276
"685925"	2684.067776	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+H"	1.007276
"1360451"	895.360776	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H"	1.007276
"137716"	895.360776	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+2H"	2.014552
"568529"	1342.537526	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+2H"	2.014552
"1040972"	448.184026	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2H"	2.014552
"204986"	597.242942666667	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+3H"	3.021828
"646976"	895.360776	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+3H"	3.021828
"1166195"	299.125109333333	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+3H"	3.021828
"429470"	1806.740823	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+NH4"	18.033823
"794837"	2701.094323	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+NH4"	18.033823
"1684610"	912.387323	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+NH4"	18.033823
"330215"	903.8740495	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+H+NH4"	19.041099
"723729"	1351.0507995	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+H+NH4"	19.041099
"1479134"	456.6972995	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H+NH4"	19.041099
"401096"	1811.696218	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+Na"	22.989218
"764276"	2706.049718	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+Na"	22.989218
"1612379"	917.342718	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Na"	22.989218
"323510"	906.351747	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+H+Na"	23.996494
"712649"	1353.528497	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+H+Na"	23.996494
"1468658"	459.174997	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H+Na"	23.996494
"1062997"	306.452423333333	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2H+Na"	25.00377
"1264678"	927.386986	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+CH3OH+H"	33.033486
"378511"	1827.670158	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+K"	38.963158
"744249"	2722.023658	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+K"	38.963158
"1548489"	933.316658	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+K"	38.963158
"305664"	914.338717	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+H+K"	39.970434
"694072"	1361.515467	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+H+K"	39.970434
"1454093"	467.161967	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H+K"	39.970434
"238681"	1830.740826	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+ACN+H"	42.033826
"1213578"	936.387326	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+ACN+H"	42.033826
"1197463"	468.697301	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+ACN+2H"	43.041102
"191790"	1833.67816	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+2Na-H"	44.97116
"630986"	2728.03166	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+2Na-H"	44.97116
"1131937"	939.32466	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2Na-H"	44.97116
"176331"	917.342718	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+2Na"	45.978436
"622457"	1364.519468	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+2Na"	45.978436
"1127057"	470.165968	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2Na"	45.978436
"1400861"	313.779737333333	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H+2Na"	46.985712
"1433221"	941.366246	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H+HCOOH"	47.012746
"225831"	922.37574	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+3H2O+2H"	56.04448
"1513168"	955.41829	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+IsoProp+H"	61.06479
"411394"	925.329688	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+Na+K"	61.952376
"771660"	1372.506438	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+Na+K"	61.952376
"1674558"	478.152938	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Na+K"	61.952376
"256336"	1852.722768	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+ACN+Na"	64.015768
"1233783"	958.369268	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+ACN+Na"	64.015768
"1723400"	958.392793	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+NH4+HCOOH"	64.039293
"1194068"	321.107051333333	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+3Na"	68.967654
"1657553"	963.348188	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Na+HCOOH"	68.994688
"164413"	1865.62604	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+2K-H"	76.91904
"600693"	2759.97954	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+2K-H"	76.91904
"1090673"	971.27254	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2K-H"	76.91904
"147851"	933.316658	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"2M+2K"	77.926316
"585963"	1380.493408	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"3M+2K"	77.926316
"1074849"	486.139908	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2K"	77.926316
"1112438"	973.287092	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2K+H"	78.933592
"1344449"	973.374707	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+DMSO+H"	79.021207
"1009697"	977.413876	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2ACN+H"	83.060376
"1530008"	978.407508	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+IsoProp+Na+H"	84.054008
"1004488"	489.210576	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+2ACN+2H"	84.067652
"1601908"	979.322128	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+K+HCOOH"	84.968628
"1429514"	1009.353638	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+H+CF3COOH"	115.000138
"1161502"	509.723851	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+3ACN+2H"	125.094202
"1712569"	1026.380185	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+NH4+CF3COOH"	132.026685
"1647429"	1031.33558	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+Na+CF3COOH"	136.98208
"1579799"	1047.30952	"C06320"	"Precorrin 6X;Precorrin 6A"	"C44H54N4O16"	"894.3535"	"M+K+CF3COOH"	152.95602
"810166"	156.0423	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M"	0
"977137"	137.02391	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"63555"	103.020924	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"503602"	155.035024	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"879963"	51.006824	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"584"	155.035024	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"441965"	233.056174	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"817949"	77.013874	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"79760"	311.077324	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"520415"	467.119624	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"905871"	155.035024	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"48465"	328.103871	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"491064"	484.146171	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"872150"	172.061571	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"36769"	333.059266	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"473170"	489.101566	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"849627"	177.016966	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1620383"	177.016966	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"95940"	173.023363	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"537566"	251.044513	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"928894"	95.002213	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"268176"	347.054002	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"660474"	503.096302	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1273486"	191.011702	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"16529"	349.033206	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"457672"	505.075506	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"836568"	192.990906	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1563335"	192.990906	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"944049"	201.040494	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"365061"	357.082801	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"360746"	371.098451	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1507500"	215.056151	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"971529"	223.022451	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"124810"	191.011702	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"565350"	269.032852	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1035354"	112.990552	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1256397"	234.961185	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1319452"	237.017172	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1335489"	258.999129	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"925816"	269.027886	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1300818"	305.004564	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1381167"	121.029624	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1394655"	139.0396	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"291789"	313.091876	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"686033"	469.134176	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1360559"	157.049576	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"136367"	157.049576	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"567911"	235.070726	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1039989"	79.028426	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"204312"	105.035476	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"645262"	157.049576	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1164848"	53.021376	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"429580"	330.118423	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"793854"	486.160723	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1684720"	174.076123	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"329979"	165.5628495	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"723839"	243.5839995	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1479244"	87.5416995	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"401206"	335.073818	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"764386"	491.116118	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1612489"	179.031518	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"319609"	168.040547	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"710572"	246.061697	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1467675"	90.019397	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1060921"	60.34869	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1262599"	189.075786	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"378985"	351.047758	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"742172"	507.090058	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1541670"	195.005458	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"300666"	176.027517	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"692722"	254.048667	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1448736"	98.006367	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"238428"	354.118426	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1212230"	198.076126	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1196111"	99.541701	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"191169"	357.05576	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"629758"	513.09806	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1132408"	201.01346	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"174130"	179.031518	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"619287"	257.052668	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1126073"	101.010368	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1399267"	67.676004	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1431872"	203.055046	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"222661"	184.06454	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1515099"	217.10709	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"410044"	187.018488	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"771041"	265.039638	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1669928"	108.997338	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"256081"	376.100368	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1232070"	220.058068	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1721322"	220.081593	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1193725"	75.003318	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1657663"	225.036988	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"163064"	389.00364	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"601167"	545.04594	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1089688"	232.96134	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"145774"	195.005458	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"586073"	273.026608	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1074959"	116.984308	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1112548"	234.975892	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1345653"	235.063507	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1009808"	239.102676	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1529025"	240.096308	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"1001318"	120.054976	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1597644"	241.010928	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1428774"	271.042438	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1162343"	140.568251	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1712421"	288.068985	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1649004"	293.02438	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1586470"	308.99832	"C06321"	"(1R6S)-16-Dihydroxycyclohexa-24-diene-1-carboxylate;cis-12-Dihydroxycyclohexa-35-diene-1-carboxylate;cis-16-Dihydroxy-24-cyclohexadiene-1-carboxylic acid"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"806995"	873.1571	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M"	0
"974396"	854.13871	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-H2O-H"	-19.01839
"62914"	581.097457333333	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M-3H"	-3.021828
"502939"	872.149824	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M-3H"	-3.021828
"879965"	290.045090666667	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-3H"	-3.021828
"1423"	872.149824	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H"	-2.014552
"443169"	1308.728374	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H"	-2.014552
"817446"	435.571274	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-2H"	-2.014552
"79991"	1745.306924	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M-H"	-1.007276
"520526"	2618.464024	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M-H"	-1.007276
"902701"	872.149824	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-H"	-1.007276
"47968"	1762.333471	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+NH4"	16.019271
"491174"	2635.490571	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+NH4"	16.019271
"870073"	889.176371	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+NH4"	16.019271
"36879"	1767.288866	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+Na"	20.974666
"471618"	2640.445966	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+Na"	20.974666
"848578"	894.131766	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+Na"	20.974666
"1623773"	894.131766	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Na-2H"	20.974666
"96050"	890.138163	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M-H+Cl"	33.962126
"539863"	1326.716713	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M-H+Cl"	33.962126
"932283"	453.559613	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-H+Cl"	33.962126
"269746"	1781.283602	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+Cl"	34.969402
"661196"	2654.440702	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+Cl"	34.969402
"1275665"	908.126502	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl"	34.969402
"18220"	1783.262806	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+K"	36.948606
"461062"	2656.419906	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+K"	36.948606
"843238"	910.105706	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+K"	36.948606
"1565632"	910.105706	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+K-2H"	36.948606
"945131"	918.155294	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-H+HCOOH"	44.998194
"364441"	1791.312401	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+HCOOH-H"	44.998201
"348328"	1805.328051	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+Hac-H"	59.013851
"1502263"	932.170951	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Hac-H"	59.013851
"971637"	940.137251	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-H+NaCOOH"	66.980151
"124184"	908.126502	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Cl"	69.938804
"564968"	1344.705052	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Cl"	69.938804
"1034371"	471.547952	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2Cl"	69.938804
"1256019"	952.075985	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Br"	78.918885
"1319200"	954.131972	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+HCOOH"	80.974872
"1334627"	976.113929	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+NaCOOH"	102.956829
"924589"	986.142686	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M-H+CF3COOH"	112.985586
"1300927"	1022.119364	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+CF3COOH"	148.962264
"1380547"	838.144424	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H-2H2O"	-35.012676
"1396584"	856.1544	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H-H2O"	-17.0027
"292992"	1747.321476	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+H"	1.007276
"687240"	2620.478576	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+H"	1.007276
"1362129"	874.164376	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H"	1.007276
"134653"	874.164376	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+2H"	2.014552
"572031"	1310.742926	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+2H"	2.014552
"1041922"	437.585826	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2H"	2.014552
"204841"	583.112009333333	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+3H"	3.021828
"648291"	874.164376	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+3H"	3.021828
"1169696"	292.059642666667	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+3H"	3.021828
"432970"	1764.348023	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+NH4"	18.033823
"795787"	2637.505123	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+NH4"	18.033823
"1684829"	891.190923	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4"	18.033823
"330229"	882.6776495	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+NH4"	19.041099
"723218"	1319.2561995	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+NH4"	19.041099
"1477892"	446.0990995	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H+NH4"	19.041099
"395848"	1769.303418	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+Na"	22.989218
"754527"	2642.460518	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+Na"	22.989218
"1609319"	896.146318	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Na"	22.989218
"315343"	885.155347	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+Na"	23.996494
"707142"	1321.733897	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+Na"	23.996494
"1463412"	448.576797	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H+Na"	23.996494
"1058116"	299.386956666667	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2H+Na"	25.00377
"1259065"	906.190586	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+CH3OH+H"	33.033486
"378002"	1785.277358	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+K"	38.963158
"741552"	2658.434458	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+K"	38.963158
"1542876"	912.120258	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+K"	38.963158
"301143"	893.142317	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+K"	39.970434
"693930"	1329.720867	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+K"	39.970434
"1448117"	456.563767	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H+K"	39.970434
"240727"	1788.348026	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+ACN+H"	42.033826
"1213069"	915.190926	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+H"	42.033826
"1196589"	458.099101	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+2H"	43.041102
"190916"	1791.28536	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Na-H"	44.97116
"630354"	2664.44246	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Na-H"	44.97116
"1131916"	918.12826	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2Na-H"	44.97116
"174241"	896.146318	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Na"	45.978436
"619398"	1332.724868	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Na"	45.978436
"1121082"	459.567768	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2Na"	45.978436
"1398647"	306.714270666667	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H+2Na"	46.985712
"1430113"	920.169846	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H+HCOOH"	47.012746
"221312"	901.17934	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+3H2O+2H"	56.04448
"1513386"	934.22189	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+IsoProp+H"	61.06479
"411251"	904.133288	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+Na+K"	61.952376
"772246"	1340.711838	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+Na+K"	61.952376
"1668944"	467.554738	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+K"	61.952376
"253275"	1810.329968	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+ACN+Na"	64.015768
"1226589"	937.172868	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+Na"	64.015768
"1716327"	937.196393	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4+HCOOH"	64.039293
"1182410"	314.041584666667	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+3Na"	68.967654
"1651209"	942.151788	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+HCOOH"	68.994688
"159527"	1823.23324	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+2K-H"	76.91904
"597870"	2696.39034	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+2K-H"	76.91904
"1085421"	950.07614	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2K-H"	76.91904
"143331"	912.120258	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"2M+2K"	77.926316
"586181"	1348.698808	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"3M+2K"	77.926316
"1075069"	475.541708	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2K"	77.926316
"1111565"	952.090692	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2K+H"	78.933592
"1346857"	952.178307	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+DMSO+H"	79.021207
"1014293"	956.217476	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2ACN+H"	83.060376
"1531323"	957.211108	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+IsoProp+Na+H"	84.054008
"1002522"	478.612376	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+2ACN+2H"	84.067652
"1601400"	958.125728	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+K+HCOOH"	84.968628
"1429247"	988.157238	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+H+CF3COOH"	115.000138
"1162085"	499.125651	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+3ACN+2H"	125.094202
"1710906"	1005.183785	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4+CF3COOH"	132.026685
"1649595"	1010.13918	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+CF3COOH"	136.98208
"1583299"	1026.11312	"C06322"	"Cyclohexa-15-diene-1-carbonyl-CoA;Cyclohexa-15-dienecarbonyl-CoA;S-15-Cyclohexadiene-1-carboxylate coenzymeA"	"C28H42N7O17P3S"	"873.1571"	"M+K+CF3COOH"	152.95602
"810386"	129.0578	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M"	0
"977357"	110.03941	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-H2O-H"	-19.01839
"63776"	85.0312573333333	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M-3H"	-3.021828
"505157"	128.050524	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M-3H"	-3.021828
"881864"	42.0119906666667	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-3H"	-3.021828
"9184"	128.050524	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M-2H"	-2.014552
"440849"	192.579424	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M-2H"	-2.014552
"818286"	63.521624	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-2H"	-2.014552
"84353"	257.108324	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M-H"	-1.007276
"523914"	386.166124	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M-H"	-1.007276
"903904"	128.050524	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-H"	-1.007276
"50629"	274.134871	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M-2H+NH4"	16.019271
"494564"	403.192671	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M-2H+NH4"	16.019271
"864313"	145.077071	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-2H+NH4"	16.019271
"31552"	279.090266	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M-2H+Na"	20.974666
"471564"	408.148066	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M-2H+Na"	20.974666
"849976"	150.032466	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-2H+Na"	20.974666
"1618608"	150.032466	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Na-2H"	20.974666
"100414"	146.038863	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M-H+Cl"	33.962126
"535721"	210.567763	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M-H+Cl"	33.962126
"929114"	81.509963	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-H+Cl"	33.962126
"268764"	293.085002	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+Cl"	34.969402
"660208"	422.142802	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+Cl"	34.969402
"1275775"	164.027202	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Cl"	34.969402
"18329"	295.064206	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M-2H+K"	36.948606
"462264"	424.122006	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M-2H+K"	36.948606
"842253"	166.006406	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-2H+K"	36.948606
"1567564"	166.006406	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+K-2H"	36.948606
"943172"	174.055994	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-H+HCOOH"	44.998194
"366373"	303.113801	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+HCOOH-H"	44.998201
"349167"	317.129451	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+Hac-H"	59.013851
"1500186"	188.071651	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Hac-H"	59.013851
"972354"	196.037951	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-H+NaCOOH"	66.980151
"123199"	164.027202	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+2Cl"	69.938804
"564954"	228.556102	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+2Cl"	69.938804
"1035209"	99.498302	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2Cl"	69.938804
"1255520"	207.976685	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Br"	78.918885
"1319859"	210.032672	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Cl+HCOOH"	80.974872
"1335099"	232.014629	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Cl+NaCOOH"	102.956829
"925790"	242.043386	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M-H+CF3COOH"	112.985586
"1302498"	278.020064	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Cl+CF3COOH"	148.962264
"1381391"	94.045124	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H-2H2O"	-35.012676
"1395604"	112.0551	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H-H2O"	-17.0027
"294927"	259.122876	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+H"	1.007276
"687714"	388.180676	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+H"	1.007276
"1364061"	130.065076	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H"	1.007276
"136951"	130.065076	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+2H"	2.014552
"572141"	194.593976	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+2H"	2.014552
"1038873"	65.536176	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2H"	2.014552
"205804"	87.0458093333333	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+3H"	3.021828
"655691"	130.065076	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+3H"	3.021828
"1170901"	44.0265426666667	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+3H"	3.021828
"433082"	276.149423	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+NH4"	18.033823
"794805"	405.207223	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+NH4"	18.033823
"1687125"	147.091623	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+NH4"	18.033823
"330343"	138.5783495	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+H+NH4"	19.041099
"723125"	203.1072495	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+H+NH4"	19.041099
"1479096"	74.0494495	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H+NH4"	19.041099
"395958"	281.104818	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+Na"	22.989218
"754762"	410.162618	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+Na"	22.989218
"1613802"	152.047018	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Na"	22.989218
"315210"	141.056047	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+H+Na"	23.996494
"708603"	205.584947	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+H+Na"	23.996494
"1461931"	76.527147	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H+Na"	23.996494
"1053363"	51.3538566666667	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2H+Na"	25.00377
"1258081"	162.091286	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+CH3OH+H"	33.033486
"377426"	297.078758	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+K"	38.963158
"743486"	426.136558	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+K"	38.963158
"1541893"	168.020958	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+K"	38.963158
"299796"	149.043017	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+H+K"	39.970434
"696228"	213.571917	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+H+K"	39.970434
"1450049"	84.514117	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H+K"	39.970434
"240836"	300.149426	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+ACN+H"	42.033826
"1212452"	171.091626	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+ACN+H"	42.033826
"1195607"	86.049451	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+ACN+2H"	43.041102
"193581"	303.08676	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+2Na-H"	44.97116
"630588"	432.14456	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+2Na-H"	44.97116
"1132755"	174.02896	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2Na-H"	44.97116
"174474"	152.047018	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+2Na"	45.978436
"619508"	216.575918	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+2Na"	45.978436
"1123380"	87.518118	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2Na"	45.978436
"1399732"	58.6811706666667	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H+2Na"	46.985712
"1431485"	176.070546	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H+HCOOH"	47.012746
"222154"	157.08004	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+3H2O+2H"	56.04448
"1513497"	190.12259	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+IsoProp+H"	61.06479
"409174"	160.033988	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+Na+K"	61.952376
"772356"	224.562888	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+Na+K"	61.952376
"1669054"	95.505088	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Na+K"	61.952376
"253385"	322.131368	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+ACN+Na"	64.015768
"1226457"	193.073568	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+ACN+Na"	64.015768
"1715707"	193.097093	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+NH4+HCOOH"	64.039293
"1182884"	66.0084846666667	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+3Na"	68.967654
"1652412"	198.052488	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Na+HCOOH"	68.994688
"161824"	335.03464	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+2K-H"	76.91904
"600292"	464.09244	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+2K-H"	76.91904
"1086261"	205.97684	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2K-H"	76.91904
"144900"	168.020958	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"2M+2K"	77.926316
"587384"	232.549858	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"3M+2K"	77.926316
"1071896"	103.492058	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2K"	77.926316
"1105113"	207.991392	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2K+H"	78.933592
"1346967"	208.079007	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+DMSO+H"	79.021207
"1017683"	212.118176	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2ACN+H"	83.060376
"1530340"	213.111808	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+IsoProp+Na+H"	84.054008
"1004815"	106.562726	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+2ACN+2H"	84.067652
"1598956"	214.026428	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+K+HCOOH"	84.968628
"1429355"	244.057938	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+H+CF3COOH"	115.000138
"1160373"	127.076001	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+3ACN+2H"	125.094202
"1712641"	261.084485	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+NH4+CF3COOH"	132.026685
"1649588"	266.03988	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+Na+CF3COOH"	136.98208
"1586690"	282.01382	"C06323"	"Isoquinoline;2-Benzazine;Benzocpyridine"	"C9H7N"	"129.0578"	"M+K+CF3COOH"	152.95602
"810496"	145.0528	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M"	0
"977467"	126.03441	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-H2O-H"	-19.01839
"65708"	95.6945906666667	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M-3H"	-3.021828
"505266"	144.045524	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M-3H"	-3.021828
"880554"	47.3436573333333	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-3H"	-3.021828
"6014"	144.045524	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M-2H"	-2.014552
"443390"	216.571924	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M-2H"	-2.014552
"818275"	71.519124	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-2H"	-2.014552
"84464"	289.098324	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M-H"	-1.007276
"526211"	434.151124	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M-H"	-1.007276
"902920"	144.045524	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-H"	-1.007276
"50739"	306.124871	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M-2H+NH4"	16.019271
"494674"	451.177671	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M-2H+NH4"	16.019271
"866036"	161.072071	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-2H+NH4"	16.019271
"33817"	311.080266	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M-2H+Na"	20.974666
"474471"	456.133066	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M-2H+Na"	20.974666
"850086"	166.027466	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-2H+Na"	20.974666
"1620712"	166.027466	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Na-2H"	20.974666
"100524"	162.033863	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M-H+Cl"	33.962126
"535710"	234.560263	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M-H+Cl"	33.962126
"930317"	89.507463	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-H+Cl"	33.962126
"271060"	325.075002	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+Cl"	34.969402
"661538"	470.127802	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+Cl"	34.969402
"1275885"	180.022202	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Cl"	34.969402
"18439"	327.054206	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M-2H+K"	36.948606
"462374"	472.107006	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M-2H+K"	36.948606
"843456"	182.001406	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-2H+K"	36.948606
"1567674"	182.001406	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+K-2H"	36.948606
"944255"	190.050994	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-H+HCOOH"	44.998194
"368670"	335.103801	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+HCOOH-H"	44.998201
"350370"	349.119451	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+Hac-H"	59.013851
"1501389"	204.066651	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Hac-H"	59.013851
"972218"	212.032951	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-H+NaCOOH"	66.980151
"122213"	180.022202	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+2Cl"	69.938804
"564335"	252.548602	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+2Cl"	69.938804
"1034591"	107.495802	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2Cl"	69.938804
"1255632"	223.971685	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Br"	78.918885
"1319295"	226.027672	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Cl+HCOOH"	80.974872
"1333383"	248.009629	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Cl+NaCOOH"	102.956829
"924805"	258.038386	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M-H+CF3COOH"	112.985586
"1302611"	294.015064	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Cl+CF3COOH"	148.962264
"1382557"	110.040124	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H-2H2O"	-35.012676
"1397783"	128.0501	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H-H2O"	-17.0027
"297223"	291.112876	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+H"	1.007276
"691228"	436.165676	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+H"	1.007276
"1365630"	146.060076	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H"	1.007276
"140708"	146.060076	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+2H"	2.014552
"574438"	218.586476	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+2H"	2.014552
"1039955"	73.533676	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2H"	2.014552
"205548"	97.7091426666667	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+3H"	3.021828
"651791"	146.060076	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+3H"	3.021828
"1167731"	49.3582093333333	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+3H"	3.021828
"433192"	308.139423	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+NH4"	18.033823
"793092"	453.192223	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+NH4"	18.033823
"1687235"	163.086623	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+NH4"	18.033823
"330127"	154.5733495	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+H+NH4"	19.041099
"724290"	227.0997495	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+H+NH4"	19.041099
"1479572"	82.0469495	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H+NH4"	19.041099
"398254"	313.094818	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+Na"	22.989218
"755601"	458.147618	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+Na"	22.989218
"1604435"	168.042018	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Na"	22.989218
"315927"	157.051047	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+H+Na"	23.996494
"708833"	229.577447	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+H+Na"	23.996494
"1463625"	84.524647	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H+Na"	23.996494
"1055053"	56.6855233333333	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2H+Na"	25.00377
"1259284"	178.086286	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+CH3OH+H"	33.033486
"381504"	329.068758	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+K"	38.963158
"743596"	474.121558	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+K"	38.963158
"1543461"	184.015958	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+K"	38.963158
"303915"	165.038017	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+H+K"	39.970434
"697429"	237.564417	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+H+K"	39.970434
"1451252"	92.511617	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H+K"	39.970434
"244227"	332.139426	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+ACN+H"	42.033826
"1212562"	187.086626	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+ACN+H"	42.033826
"1196079"	94.046951	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+ACN+2H"	43.041102
"194784"	335.07676	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+2Na-H"	44.97116
"631426"	480.12956	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+2Na-H"	44.97116
"1133473"	190.02396	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2Na-H"	44.97116
"174218"	168.042018	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+2Na"	45.978436
"613173"	240.568418	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+2Na"	45.978436
"1121302"	95.515618	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2Na"	45.978436
"1398988"	64.0128373333333	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H+2Na"	46.985712
"1430622"	192.065546	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H+HCOOH"	47.012746
"221292"	173.07504	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+3H2O+2H"	56.04448
"1510691"	206.11759	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+IsoProp+H"	61.06479
"408707"	176.028988	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+Na+K"	61.952376
"770149"	248.555388	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+Na+K"	61.952376
"1665613"	103.502588	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Na+K"	61.952376
"251419"	354.121368	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+ACN+Na"	64.015768
"1225716"	209.068568	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+ACN+Na"	64.015768
"1714360"	209.092093	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+NH4+HCOOH"	64.039293
"1180441"	71.3401513333333	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+3Na"	68.967654
"1651795"	214.047488	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Na+HCOOH"	68.994688
"160843"	367.02464	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+2K-H"	76.91904
"605506"	512.07744	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+2K-H"	76.91904
"1086008"	221.97184	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2K-H"	76.91904
"144647"	184.015958	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"2M+2K"	77.926316
"587494"	256.542358	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"3M+2K"	77.926316
"1073099"	111.489558	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2K"	77.926316
"1105218"	223.986392	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2K+H"	78.933592
"1344891"	224.074007	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+DMSO+H"	79.021207
"1016700"	228.113176	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2ACN+H"	83.060376
"1531543"	229.106808	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+IsoProp+Na+H"	84.054008
"1004196"	114.560226	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+2ACN+2H"	84.067652
"1599066"	230.021428	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+K+HCOOH"	84.968628
"1428979"	260.052938	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+H+CF3COOH"	115.000138
"1160483"	135.073501	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+3ACN+2H"	125.094202
"1712467"	277.079485	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+NH4+CF3COOH"	132.026685
"1649334"	282.03488	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+Na+CF3COOH"	136.98208
"1586800"	298.00882	"C06324"	"Isocarbostyril;1(2H)-Isoquinolinone;Isoquinolin-1(2H)-one"	"C9H7NO"	"145.0528"	"M+K+CF3COOH"	152.95602
"810606"	173.0477	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M"	0
"980857"	154.02931	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-H2O-H"	-19.01839
"72379"	114.357857333333	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M-3H"	-3.021828
"509750"	172.040424	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M-3H"	-3.021828
"884272"	56.6752906666667	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-3H"	-3.021828
"7217"	172.040424	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M-2H"	-2.014552
"448968"	258.564274	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M-2H"	-2.014552
"822396"	85.516574	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-2H"	-2.014552
"84574"	345.088124	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M-H"	-1.007276
"527414"	518.135824	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M-H"	-1.007276
"904124"	172.040424	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-H"	-1.007276
"56316"	362.114671	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M-2H+NH4"	16.019271
"494784"	535.162371	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M-2H+NH4"	16.019271
"872585"	189.066971	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-2H+NH4"	16.019271
"40487"	367.070066	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M-2H+Na"	20.974666
"482236"	540.117766	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M-2H+Na"	20.974666
"858944"	194.022366	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-2H+Na"	20.974666
"1626289"	194.022366	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Na-2H"	20.974666
"103915"	190.028763	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M-H+Cl"	33.962126
"543475"	276.552613	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M-H+Cl"	33.962126
"933708"	103.504913	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-H+Cl"	33.962126
"274452"	381.064802	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+Cl"	34.969402
"669061"	554.112502	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+Cl"	34.969402
"1279277"	208.017102	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Cl"	34.969402
"21832"	383.044006	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M-2H+K"	36.948606
"466859"	556.091706	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M-2H+K"	36.948606
"842474"	209.996306	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-2H+K"	36.948606
"1565961"	209.996306	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+K-2H"	36.948606
"948376"	218.045894	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-H+HCOOH"	44.998194
"366594"	391.093601	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+HCOOH-H"	44.998201
"357042"	405.109251	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+Hac-H"	59.013851
"1500406"	232.061551	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Hac-H"	59.013851
"971597"	240.027851	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-H+NaCOOH"	66.980151
"122323"	208.017102	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+2Cl"	69.938804
"564809"	294.540952	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+2Cl"	69.938804
"1035429"	121.493252	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2Cl"	69.938804
"1256713"	251.966585	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Br"	78.918885
"1319728"	254.022572	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Cl+HCOOH"	80.974872
"1333129"	276.004529	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Cl+NaCOOH"	102.956829
"924550"	286.033286	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M-H+CF3COOH"	112.985586
"1304085"	322.009964	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Cl+CF3COOH"	148.962264
"1381976"	138.035024	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H-2H2O"	-35.012676
"1397650"	156.045	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H-H2O"	-17.0027
"298541"	347.102676	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+H"	1.007276
"690483"	520.150376	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+H"	1.007276
"1366467"	174.054976	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H"	1.007276
"139725"	174.054976	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+2H"	2.014552
"573454"	260.578826	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+2H"	2.014552
"1041158"	87.531126	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2H"	2.014552
"211250"	116.372409333333	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+3H"	3.021828
"651903"	174.054976	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+3H"	3.021828
"1168935"	58.6898426666667	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+3H"	3.021828
"432209"	364.129223	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+NH4"	18.033823
"793202"	537.176923	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+NH4"	18.033823
"1688439"	191.081523	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+NH4"	18.033823
"332346"	182.5682495	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+H+NH4"	19.041099
"725861"	269.0920995	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+H+NH4"	19.041099
"1479682"	96.0443995	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H+NH4"	19.041099
"396178"	369.084618	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+Na"	22.989218
"758264"	542.132318	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+Na"	22.989218
"1607825"	196.036918	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Na"	22.989218
"319684"	185.045947	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+H+Na"	23.996494
"713196"	271.569797	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+H+Na"	23.996494
"1467017"	98.522097	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H+Na"	23.996494
"1062453"	66.0171566666667	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2H+Na"	25.00377
"1264131"	206.081186	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+CH3OH+H"	33.033486
"382707"	385.058558	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+K"	38.963158
"742613"	558.106258	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+K"	38.963158
"1545759"	212.010858	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+K"	38.963158
"306211"	193.032917	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+H+K"	39.970434
"700820"	279.556767	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+H+K"	39.970434
"1452456"	106.509067	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H+K"	39.970434
"246523"	388.129226	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+ACN+H"	42.033826
"1214859"	215.081526	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+ACN+H"	42.033826
"1196920"	108.044401	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+ACN+2H"	43.041102
"194894"	391.06656	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+2Na-H"	44.97116
"634454"	564.11426	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+2Na-H"	44.97116
"1133216"	218.01886	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2Na-H"	44.97116
"174815"	196.036918	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+2Na"	45.978436
"624831"	282.560768	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+2Na"	45.978436
"1128702"	109.513068	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2Na"	45.978436
"1400562"	73.3444706666667	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H+2Na"	46.985712
"1435593"	220.060446	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H+HCOOH"	47.012746
"222010"	201.06994	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+3H2O+2H"	56.04448
"1516633"	234.11249	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+IsoProp+H"	61.06479
"414132"	204.023888	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+Na+K"	61.952376
"770506"	290.547738	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+Na+K"	61.952376
"1666478"	117.500038	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Na+K"	61.952376
"254700"	410.111168	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+ACN+Na"	64.015768
"1226067"	237.063468	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+ACN+Na"	64.015768
"1715197"	237.086993	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+NH4+HCOOH"	64.039293
"1183831"	80.6717846666667	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+3Na"	68.967654
"1654819"	242.042388	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Na+HCOOH"	68.994688
"162774"	423.01444	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+2K-H"	76.91904
"602335"	596.06214	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+2K-H"	76.91904
"1091220"	249.96674	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2K-H"	76.91904
"148036"	212.010858	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"2M+2K"	77.926316
"586511"	298.534708	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"3M+2K"	77.926316
"1072481"	125.487008	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2K"	77.926316
"1102051"	251.981292	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2K+H"	78.933592
"1343906"	252.068907	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+DMSO+H"	79.021207
"1009155"	256.108076	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2ACN+H"	83.060376
"1524222"	257.101708	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+IsoProp+Na+H"	84.054008
"1003942"	128.557676	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+2ACN+2H"	84.067652
"1598084"	258.016328	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+K+HCOOH"	84.968628
"1428603"	288.047838	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+H+CF3COOH"	115.000138
"1162702"	149.070951	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+3ACN+2H"	125.094202
"1710752"	305.074385	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+NH4+CF3COOH"	132.026685
"1649688"	310.02978	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+Na+CF3COOH"	136.98208
"1586910"	326.00372	"C06325"	"2-Quinolinecarboxylic acid;Quinaldinic acid;Quinaldic acid;2-Quinolinecarboxylate;Quinaldate"	"C10H7NO2"	"173.0477"	"M+K+CF3COOH"	152.95602
"815090"	189.1001	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M"	0
"977687"	170.08171	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-H2O-H"	-19.01839
"65927"	125.059457333333	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M-3H"	-3.021828
"509860"	188.092824	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M-3H"	-3.021828
"888754"	62.0260906666667	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-3H"	-3.021828
"8421"	188.092824	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M-2H"	-2.014552
"450171"	282.642874	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M-2H"	-2.014552
"826879"	93.542774	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-2H"	-2.014552
"89059"	377.192924	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M-H"	-1.007276
"527525"	566.293024	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M-H"	-1.007276
"909340"	188.092824	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-H"	-1.007276
"57521"	394.219471	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M-2H+NH4"	16.019271
"499635"	583.319571	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M-2H+NH4"	16.019271
"877070"	205.119371	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-2H+NH4"	16.019271
"41691"	399.174866	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M-2H+Na"	20.974666
"484534"	588.274966	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M-2H+Na"	20.974666
"861242"	210.074766	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-2H+Na"	20.974666
"1631865"	210.074766	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Na-2H"	20.974666
"105118"	206.081163	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M-H+Cl"	33.962126
"544677"	300.631213	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M-H+Cl"	33.962126
"934911"	111.531113	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-H+Cl"	33.962126
"277843"	413.169602	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+Cl"	34.969402
"672451"	602.269702	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+Cl"	34.969402
"1280481"	224.069502	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Cl"	34.969402
"25224"	415.148806	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M-2H+K"	36.948606
"461504"	604.248906	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M-2H+K"	36.948606
"843680"	226.048706	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-2H+K"	36.948606
"1564981"	226.048706	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+K-2H"	36.948606
"948486"	234.098294	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-H+HCOOH"	44.998194
"367068"	423.198401	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+HCOOH-H"	44.998201
"358974"	437.214051	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+Hac-H"	59.013851
"1500516"	248.113951	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Hac-H"	59.013851
"970248"	256.080251	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-H+NaCOOH"	66.980151
"123526"	224.069502	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+2Cl"	69.938804
"564188"	318.619552	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+2Cl"	69.938804
"1036268"	129.519452	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2Cl"	69.938804
"1255973"	268.018985	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Br"	78.918885
"1319676"	270.074972	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Cl+HCOOH"	80.974872
"1335193"	292.056929	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Cl+NaCOOH"	102.956829
"925029"	302.085686	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M-H+CF3COOH"	112.985586
"1303930"	338.062364	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Cl+CF3COOH"	148.962264
"1382581"	154.087424	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H-2H2O"	-35.012676
"1398285"	172.0974	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H-H2O"	-17.0027
"298056"	379.207476	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+H"	1.007276
"690720"	568.307576	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+H"	1.007276
"1366868"	190.107376	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H"	1.007276
"141216"	190.107376	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+2H"	2.014552
"575754"	284.657426	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+2H"	2.014552
"1047104"	95.557326	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2H"	2.014552
"213548"	127.074009333333	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+3H"	3.021828
"649828"	190.107376	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+3H"	3.021828
"1171234"	64.0406426666667	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+3H"	3.021828
"429041"	396.234023	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+NH4"	18.033823
"790034"	585.334123	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+NH4"	18.033823
"1685270"	207.133923	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+NH4"	18.033823
"332457"	198.6206495	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+H+NH4"	19.041099
"731438"	293.1706995	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+H+NH4"	19.041099
"1484167"	104.0705995	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H+NH4"	19.041099
"399568"	401.189418	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+Na"	22.989218
"763843"	590.289518	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+Na"	22.989218
"1608664"	212.089318	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Na"	22.989218
"320886"	201.098347	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+H+Na"	23.996494
"716587"	295.648397	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+H+Na"	23.996494
"1472595"	106.548297	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H+Na"	23.996494
"1065843"	71.3679566666667	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2H+Na"	25.00377
"1265334"	222.133586	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+CH3OH+H"	33.033486
"385004"	417.163358	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+K"	38.963158
"747096"	606.263458	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+K"	38.963158
"1548054"	228.063258	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+K"	38.963158
"310696"	209.085317	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+H+K"	39.970434
"703119"	303.635367	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+H+K"	39.970434
"1452566"	114.535267	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H+K"	39.970434
"248819"	420.234026	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+ACN+H"	42.033826
"1222623"	231.133926	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+ACN+H"	42.033826
"1202134"	116.070601	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+ACN+2H"	43.041102
"201931"	423.17136	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+2Na-H"	44.97116
"638939"	612.27146	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+2Na-H"	44.97116
"1138071"	234.07126	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2Na-H"	44.97116
"174195"	212.089318	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+2Na"	45.978436
"625305"	306.639368	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+2Na"	45.978436
"1129543"	117.539268	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2Na"	45.978436
"1405775"	78.6952706666667	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H+2Na"	46.985712
"1441170"	236.112846	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H+HCOOH"	47.012746
"222484"	217.12234	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+3H2O+2H"	56.04448
"1516743"	250.16489	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+IsoProp+H"	61.06479
"414242"	220.076288	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+Na+K"	61.952376
"771954"	314.626338	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+Na+K"	61.952376
"1667317"	125.526238	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Na+K"	61.952376
"253709"	442.215968	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+ACN+Na"	64.015768
"1227515"	253.115868	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+ACN+Na"	64.015768
"1718589"	253.139393	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+NH4+HCOOH"	64.039293
"1188315"	86.0225846666667	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+3Na"	68.967654
"1657117"	258.094788	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Na+HCOOH"	68.994688
"169445"	455.11924	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+2K-H"	76.91904
"605726"	644.21934	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+2K-H"	76.91904
"1091331"	266.01914	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2K-H"	76.91904
"150333"	228.063258	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"2M+2K"	77.926316
"586621"	322.613308	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"3M+2K"	77.926316
"1073319"	133.513208	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2K"	77.926316
"1104346"	268.033692	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2K+H"	78.933592
"1340727"	268.121307	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+DMSO+H"	79.021207
"1008166"	272.160476	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2ACN+H"	83.060376
"1529570"	273.154108	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+IsoProp+Na+H"	84.054008
"1000403"	136.583876	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+2ACN+2H"	84.067652
"1593819"	274.068728	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+K+HCOOH"	84.968628
"1423851"	304.100238	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+H+CF3COOH"	115.000138
"1151956"	157.097151	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+3ACN+2H"	125.094202
"1704786"	321.126785	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+NH4+CF3COOH"	132.026685
"1649063"	326.08218	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+Na+CF3COOH"	136.98208
"1577179"	342.05612	"C06326"	"(2S)-2-1-(R)-Carboxyethylaminopentanoate"	"C8H15NO4"	"189.1001"	"M+K+CF3COOH"	152.95602
"813013"	362.1028	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M"	0
"981077"	343.08441	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-H2O-H"	-19.01839
"66036"	240.394590666667	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M-3H"	-3.021828
"508877"	361.095524	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M-3H"	-3.021828
"888864"	119.693657333333	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-3H"	-3.021828
"8531"	361.095524	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M-2H"	-2.014552
"447001"	542.146924	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M-2H"	-2.014552
"820793"	180.044124	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-2H"	-2.014552
"83702"	723.198324	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M-H"	-1.007276
"528729"	1085.301124	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M-H"	-1.007276
"906532"	361.095524	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-H"	-1.007276
"57629"	740.224871	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M-2H+NH4"	16.019271
"497191"	1102.327671	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M-2H+NH4"	16.019271
"872808"	378.122071	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-2H+NH4"	16.019271
"43988"	745.180266	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M-2H+Na"	20.974666
"484280"	1107.283066	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M-2H+Na"	20.974666
"860988"	383.077466	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-2H+Na"	20.974666
"1631975"	383.077466	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Na-2H"	20.974666
"104133"	379.083863	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M-H+Cl"	33.962126
"543692"	560.135263	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M-H+Cl"	33.962126
"935020"	198.032463	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-H+Cl"	33.962126
"276855"	759.175002	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+Cl"	34.969402
"666000"	1121.277802	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+Cl"	34.969402
"1279496"	397.072202	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Cl"	34.969402
"25332"	761.154206	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M-2H+K"	36.948606
"463800"	1123.257006	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M-2H+K"	36.948606
"840508"	399.051406	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-2H+K"	36.948606
"1565090"	399.051406	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+K-2H"	36.948606
"945070"	407.100994	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-H+HCOOH"	44.998194
"368999"	769.203801	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+HCOOH-H"	44.998201
"351062"	783.219451	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+Hac-H"	59.013851
"1498072"	421.116651	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Hac-H"	59.013851
"970357"	429.082951	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-H+NaCOOH"	66.980151
"120357"	397.072202	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+2Cl"	69.938804
"563934"	578.123602	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+2Cl"	69.938804
"1034917"	216.020802	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2Cl"	69.938804
"1255590"	441.021685	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Br"	78.918885
"1318768"	443.077672	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Cl+HCOOH"	80.974872
"1334079"	465.059629	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Cl+NaCOOH"	102.956829
"922947"	475.088386	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M-H+CF3COOH"	112.985586
"1303550"	511.065064	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Cl+CF3COOH"	148.962264
"1379277"	327.090124	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H-2H2O"	-35.012676
"1394585"	345.1001	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H-H2O"	-17.0027
"295731"	725.212876	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+H"	1.007276
"688152"	1087.315676	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+H"	1.007276
"1364502"	363.110076	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H"	1.007276
"136297"	363.110076	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+2H"	2.014552
"574769"	544.161476	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+2H"	2.014552
"1044662"	182.058676	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2H"	2.014552
"211468"	242.409142666667	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+3H"	3.021828
"654308"	363.110076	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+3H"	3.021828
"1166968"	121.708209333333	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+3H"	3.021828
"430241"	742.239423	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+NH4"	18.033823
"789048"	1104.342223	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+NH4"	18.033823
"1688659"	380.136623	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+NH4"	18.033823
"330045"	371.6233495	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+H+NH4"	19.041099
"722911"	552.6747495	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+H+NH4"	19.041099
"1480997"	190.5719495	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H+NH4"	19.041099
"399678"	747.194818	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+Na"	22.989218
"756298"	1109.297618	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+Na"	22.989218
"1605129"	385.092018	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Na"	22.989218
"316624"	374.101047	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+H+Na"	23.996494
"711229"	555.152447	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+H+Na"	23.996494
"1463956"	193.049647	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H+Na"	23.996494
"1060485"	129.035523333333	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2H+Na"	25.00377
"1261068"	395.136286	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+CH3OH+H"	33.033486
"387301"	763.168758	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+K"	38.963158
"748298"	1125.271558	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+K"	38.963158
"1547070"	401.065958	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+K"	38.963158
"307525"	382.088017	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+H+K"	39.970434
"704321"	563.139417	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+H+K"	39.970434
"1455958"	201.036617	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H+K"	39.970434
"244556"	766.239426	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+ACN+H"	42.033826
"1218360"	404.136626	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+ACN+H"	42.033826
"1201151"	202.571951	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+ACN+2H"	43.041102
"200583"	769.17676	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+2Na-H"	44.97116
"640142"	1131.27956	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+2Na-H"	44.97116
"1135995"	407.07396	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2Na-H"	44.97116
"172962"	385.092018	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+2Na"	45.978436
"625415"	566.143418	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+2Na"	45.978436
"1130745"	204.040618	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2Na"	45.978436
"1406978"	136.362837333333	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H+2Na"	46.985712
"1439093"	409.115546	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H+HCOOH"	47.012746
"225510"	390.12504	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+3H2O+2H"	56.04448
"1519040"	423.16759	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+IsoProp+H"	61.06479
"419819"	393.078988	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+Na+K"	61.952376
"775346"	574.130388	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+Na+K"	61.952376
"1667062"	212.027588	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Na+K"	61.952376
"252485"	788.221368	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+ACN+Na"	64.015768
"1228720"	426.118568	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+ACN+Na"	64.015768
"1719793"	426.142093	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+NH4+HCOOH"	64.039293
"1186238"	143.690151333333	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+3Na"	68.967654
"1660507"	431.097488	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Na+HCOOH"	68.994688
"168462"	801.12464	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+2K-H"	76.91904
"606929"	1163.22744	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+2K-H"	76.91904
"1090347"	439.02184	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2K-H"	76.91904
"149351"	401.065958	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"2M+2K"	77.926316
"586731"	582.117358	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"3M+2K"	77.926316
"1074522"	220.014558	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2K"	77.926316
"1104456"	441.036392	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2K+H"	78.933592
"1339745"	441.124007	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+DMSO+H"	79.021207
"1007905"	445.163176	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2ACN+H"	83.060376
"1528586"	446.156808	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+IsoProp+Na+H"	84.054008
"999420"	223.085226	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+2ACN+2H"	84.067652
"1593929"	447.071428	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+K+HCOOH"	84.968628
"1423961"	477.102938	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+H+CF3COOH"	115.000138
"1152066"	243.598501	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+3ACN+2H"	125.094202
"1704896"	494.129485	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+NH4+CF3COOH"	132.026685
"1649294"	499.08488	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+Na+CF3COOH"	136.98208
"1577289"	515.05882	"C06327"	"Chelirubine"	"C21H16NO5"	"362.1028"	"M+K+CF3COOH"	152.95602
"814217"	159.9927	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M"	0
"982280"	140.97431	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-H2O-H"	-19.01839
"65417"	105.654524	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M-3H"	-3.021828
"508986"	158.985424	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M-3H"	-3.021828
"887881"	52.323624	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-3H"	-3.021828
"8641"	158.985424	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M-2H"	-2.014552
"449297"	238.981774	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M-2H"	-2.014552
"822725"	78.989074	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-2H"	-2.014552
"87091"	318.978124	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M-H"	-1.007276
"527746"	478.970824	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M-H"	-1.007276
"906642"	158.985424	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-H"	-1.007276
"56647"	336.004671	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M-2H+NH4"	16.019271
"499124"	495.997371	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M-2H+NH4"	16.019271
"875105"	176.011971	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-2H+NH4"	16.019271
"43734"	340.960066	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M-2H+Na"	20.974666
"485121"	500.952766	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M-2H+Na"	20.974666
"861827"	180.967366	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-2H+Na"	20.974666
"1631721"	180.967366	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Na-2H"	20.974666
"104243"	176.973763	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M-H+Cl"	33.962126
"543802"	256.970113	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M-H+Cl"	33.962126
"936223"	96.977413	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-H+Cl"	33.962126
"276965"	354.954802	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+Cl"	34.969402
"668296"	514.947502	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+Cl"	34.969402
"1278511"	194.962102	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Cl"	34.969402
"25441"	356.934006	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M-2H+K"	36.948606
"462816"	516.926706	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M-2H+K"	36.948606
"834420"	196.941306	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-2H+K"	36.948606
"1561918"	196.941306	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+K-2H"	36.948606
"945424"	204.990894	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-H+HCOOH"	44.998194
"365829"	364.983601	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+HCOOH-H"	44.998201
"351900"	378.999251	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+Hac-H"	59.013851
"1499639"	219.006551	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Hac-H"	59.013851
"967187"	226.972851	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-H+NaCOOH"	66.980151
"118280"	194.962102	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+2Cl"	69.938804
"561124"	274.958452	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+2Cl"	69.938804
"1033932"	114.965752	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2Cl"	69.938804
"1253877"	238.911585	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Br"	78.918885
"1318514"	240.967572	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Cl+HCOOH"	80.974872
"1333094"	262.949529	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Cl+NaCOOH"	102.956829
"923784"	272.978286	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M-H+CF3COOH"	112.985586
"1303297"	308.954964	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Cl+CF3COOH"	148.962264
"1379752"	124.980024	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H-2H2O"	-35.012676
"1394331"	142.99	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H-H2O"	-17.0027
"296934"	320.992676	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+H"	1.007276
"686804"	480.985376	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+H"	1.007276
"1364612"	160.999976	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H"	1.007276
"134219"	160.999976	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+2H"	2.014552
"569411"	240.996326	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+2H"	2.014552
"1039304"	81.003626	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2H"	2.014552
"208298"	107.669076	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+3H"	3.021828
"652231"	160.999976	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+3H"	3.021828
"1167076"	54.338176	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+3H"	3.021828
"425247"	338.019223	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+NH4"	18.033823
"789156"	498.011923	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+NH4"	18.033823
"1682208"	178.026523	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+NH4"	18.033823
"330023"	169.5132495	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+H+NH4"	19.041099
"723147"	249.5095995	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+H+NH4"	19.041099
"1481107"	89.5168995	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H+NH4"	19.041099
"399788"	342.974618	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+Na"	22.989218
"756408"	502.967318	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+Na"	22.989218
"1605239"	182.981918	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Na"	22.989218
"316367"	171.990947	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+H+Na"	23.996494
"710246"	251.987297	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+H+Na"	23.996494
"1464066"	91.994597	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H+Na"	23.996494
"1057679"	61.66549	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2H+Na"	25.00377
"1262271"	193.026186	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+CH3OH+H"	33.033486
"387411"	358.948558	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+K"	38.963158
"745128"	518.941258	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+K"	38.963158
"1549366"	198.955858	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+K"	38.963158
"308728"	179.977917	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+H+K"	39.970434
"703338"	259.974267	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+H+K"	39.970434
"1452785"	99.981567	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H+K"	39.970434
"244666"	362.019226	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+ACN+H"	42.033826
"1216283"	202.026526	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+ACN+H"	42.033826
"1195428"	101.516901	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+ACN+2H"	43.041102
"197411"	364.95656	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+2Na-H"	44.97116
"635878"	524.94926	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+2Na-H"	44.97116
"1133548"	204.96386	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2Na-H"	44.97116
"173922"	182.981918	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+2Na"	45.978436
"621515"	262.978268	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+2Na"	45.978436
"1127938"	102.985568	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2Na"	45.978436
"1404900"	68.992804	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H+2Na"	46.985712
"1437016"	207.005446	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H+HCOOH"	47.012746
"225620"	188.01494	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+3H2O+2H"	56.04448
"1519879"	221.05749	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+IsoProp+H"	61.06479
"416649"	190.968888	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+Na+K"	61.952376
"779831"	270.965238	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+Na+K"	61.952376
"1668871"	110.972538	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Na+K"	61.952376
"252840"	384.001168	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+ACN+Na"	64.015768
"1231016"	224.008468	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+ACN+Na"	64.015768
"1720996"	224.031993	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+NH4+HCOOH"	64.039293
"1185255"	76.320118	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+3Na"	68.967654
"1658430"	228.987388	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Na+HCOOH"	68.994688
"165290"	396.90444	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+2K-H"	76.91904
"602663"	556.89714	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+2K-H"	76.91904
"1091551"	236.91174	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2K-H"	76.91904
"149460"	198.955858	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"2M+2K"	77.926316
"589027"	278.952208	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"3M+2K"	77.926316
"1074632"	118.959508	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2K"	77.926316
"1105659"	238.926292	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2K+H"	78.933592
"1340948"	239.013907	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+DMSO+H"	79.021207
"1006556"	243.053076	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2ACN+H"	83.060376
"1527967"	244.046708	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+IsoProp+Na+H"	84.054008
"1000623"	122.030176	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+2ACN+2H"	84.067652
"1596226"	244.961328	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+K+HCOOH"	84.968628
"1425165"	274.992838	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+H+CF3COOH"	115.000138
"1152176"	142.543451	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+3ACN+2H"	125.094202
"1705006"	292.019385	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+NH4+CF3COOH"	132.026685
"1648311"	296.97478	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+Na+CF3COOH"	136.98208
"1577399"	312.94872	"C06328"	"6-Chlorobenzene-124-triol;6-Chlorohydroxyquinol"	"C6H5ClO3"	"159.9927"	"M+K+CF3COOH"	152.95602
"813233"	191.9826	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M"	0
"982390"	172.96421	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-H2O-H"	-19.01839
"67350"	126.981124	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M-3H"	-3.021828
"509097"	190.975324	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M-3H"	-3.021828
"889086"	62.986924	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-3H"	-3.021828
"7659"	190.975324	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M-2H"	-2.014552
"450502"	286.966624	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M-2H"	-2.014552
"822837"	94.984024	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-2H"	-2.014552
"87202"	382.957924	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M-H"	-1.007276
"530773"	574.940524	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M-H"	-1.007276
"905660"	190.975324	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-H"	-1.007276
"54570"	399.984471	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M-2H+NH4"	16.019271
"498506"	591.967071	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M-2H+NH4"	16.019271
"874122"	208.001871	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-2H+NH4"	16.019271
"42386"	404.939866	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M-2H+Na"	20.974666
"484134"	596.922466	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M-2H+Na"	20.974666
"859384"	212.957266	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-2H+Na"	20.974666
"1624543"	212.957266	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Na-2H"	20.974666
"102166"	208.963663	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M-H+Cl"	33.962126
"545007"	304.954963	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M-H+Cl"	33.962126
"936332"	112.972363	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-H+Cl"	33.962126
"272703"	418.934602	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+Cl"	34.969402
"669499"	610.917202	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+Cl"	34.969402
"1279715"	226.952002	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Cl"	34.969402
"23365"	420.913806	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M-2H+K"	36.948606
"466207"	612.896406	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M-2H+K"	36.948606
"840727"	228.931206	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-2H+K"	36.948606
"1568226"	228.931206	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+K-2H"	36.948606
"951004"	236.980794	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-H+HCOOH"	44.998194
"369219"	428.963401	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+HCOOH-H"	44.998201
"354197"	442.979051	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+Hac-H"	59.013851
"1499384"	250.996451	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Hac-H"	59.013851
"966199"	258.962751	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-H+NaCOOH"	66.980151
"118753"	226.952002	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+2Cl"	69.938804
"560140"	322.943302	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+2Cl"	69.938804
"1032219"	130.960702	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2Cl"	69.938804
"1253621"	270.901485	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Br"	78.918885
"1318260"	272.957472	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Cl+HCOOH"	80.974872
"1333569"	294.939429	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Cl+NaCOOH"	102.956829
"921709"	304.968186	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M-H+CF3COOH"	112.985586
"1302796"	340.944864	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Cl+CF3COOH"	148.962264
"1380956"	156.969924	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H-2H2O"	-35.012676
"1394441"	174.9799	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H-H2O"	-17.0027
"293764"	384.972476	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+H"	1.007276
"688738"	576.955076	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+H"	1.007276
"1364723"	192.989876	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H"	1.007276
"135788"	192.989876	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+2H"	2.014552
"569522"	288.981176	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+2H"	2.014552
"1038686"	96.998576	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2H"	2.014552
"211689"	128.995676	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+3H"	3.021828
"650155"	192.989876	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+3H"	3.021828
"1169373"	65.001476	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+3H"	3.021828
"428275"	401.999023	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+NH4"	18.033823
"790362"	593.981623	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+NH4"	18.033823
"1684505"	210.016423	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+NH4"	18.033823
"330431"	201.5031495	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+H+NH4"	19.041099
"723263"	297.4944495	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+H+NH4"	19.041099
"1478421"	105.5118495	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H+NH4"	19.041099
"403179"	406.954418	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+Na"	22.989218
"764173"	598.937018	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+Na"	22.989218
"1606442"	214.971818	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Na"	22.989218
"316842"	203.980847	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+H+Na"	23.996494
"719104"	299.972147	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+H+Na"	23.996494
"1470738"	107.989547	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H+Na"	23.996494
"1058882"	72.32879	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2H+Na"	25.00377
"1262386"	225.016086	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+CH3OH+H"	33.033486
"384244"	422.928358	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+K"	38.963158
"743052"	614.910958	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+K"	38.963158
"1547292"	230.945758	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+K"	38.963158
"306654"	211.967817	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+H+K"	39.970434
"703448"	307.959117	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+H+K"	39.970434
"1457271"	115.976517	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H+K"	39.970434
"246964"	425.999026	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+ACN+H"	42.033826
"1214208"	234.016426	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+ACN+H"	42.033826
"1195905"	117.511851	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+ACN+2H"	43.041102
"197522"	428.93636	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+2Na-H"	44.97116
"632709"	620.91896	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+2Na-H"	44.97116
"1134755"	236.95376	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2Na-H"	44.97116
"173909"	214.971818	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+2Na"	45.978436
"618343"	310.963118	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+2Na"	45.978436
"1124769"	118.980518	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2Na"	45.978436
"1405012"	79.656104	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H+2Na"	46.985712
"1438949"	238.995346	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H+HCOOH"	47.012746
"229010"	220.00484	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+3H2O+2H"	56.04448
"1519261"	253.04739	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+IsoProp+H"	61.06479
"420040"	222.958788	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+Na+K"	61.952376
"778848"	318.950088	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+Na+K"	61.952376
"1669711"	126.967488	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Na+K"	61.952376
"255139"	447.980968	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+ACN+Na"	64.015768
"1234407"	255.998368	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+ACN+Na"	64.015768
"1724022"	256.021893	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+NH4+HCOOH"	64.039293
"1187551"	86.983418	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+3Na"	68.967654
"1659634"	260.977288	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Na+HCOOH"	68.994688
"165402"	460.88424	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+2K-H"	76.91904
"607149"	652.86684	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+2K-H"	76.91904
"1093847"	268.90164	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2K-H"	76.91904
"150664"	230.945758	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"2M+2K"	77.926316
"585858"	326.937058	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"3M+2K"	77.926316
"1072555"	134.954458	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2K"	77.926316
"1104676"	270.916192	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2K+H"	78.933592
"1338872"	271.003807	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+DMSO+H"	79.021207
"1008494"	275.042976	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2ACN+H"	83.060376
"1527714"	276.036608	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+IsoProp+Na+H"	84.054008
"999640"	138.025126	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+2ACN+2H"	84.067652
"1600708"	276.951228	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+K+HCOOH"	84.968628
"1426368"	306.982738	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+H+CF3COOH"	115.000138
"1156659"	158.538401	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+3ACN+2H"	125.094202
"1705116"	324.009285	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+NH4+CF3COOH"	132.026685
"1649514"	328.96468	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+Na+CF3COOH"	136.98208
"1577509"	344.93862	"C06329"	"2-Chloromaleylacetate"	"C6H5ClO5"	"191.9826"	"M+K+CF3COOH"	152.95602
"814436"	161.0477	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M"	0
"983593"	142.02931	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H2O-H"	-19.01839
"67460"	106.357857333333	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-3H"	-3.021828
"508113"	160.040424	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-3H"	-3.021828
"888102"	52.6752906666667	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-3H"	-3.021828
"9956"	160.040424	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H"	-2.014552
"448425"	240.564274	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H"	-2.014552
"826226"	79.516574	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H"	-2.014552
"85124"	321.088124	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-H"	-1.007276
"527966"	482.135824	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-H"	-1.007276
"905771"	160.040424	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H"	-1.007276
"53585"	338.114671	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H+NH4"	16.019271
"495333"	499.162371	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H+NH4"	16.019271
"869858"	177.066971	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H+NH4"	16.019271
"39943"	343.070066	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H+Na"	20.974666
"484609"	504.117766	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H+Na"	20.974666
"857306"	182.022366	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H+Na"	20.974666
"1631578"	182.022366	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na-2H"	20.974666
"104830"	178.028763	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-H+Cl"	33.962126
"542929"	258.552613	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-H+Cl"	33.962126
"936445"	97.504913	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+Cl"	33.962126
"273906"	357.064802	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Cl"	34.969402
"670703"	518.112502	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+Cl"	34.969402
"1279826"	196.017102	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl"	34.969402
"22382"	359.044006	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H+K"	36.948606
"466317"	520.091706	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H+K"	36.948606
"840837"	197.996306	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H+K"	36.948606
"1567606"	197.996306	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K-2H"	36.948606
"950020"	206.045894	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+HCOOH"	44.998194
"372610"	367.093601	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+HCOOH-H"	44.998201
"354306"	381.109251	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Hac-H"	59.013851
"1499495"	220.061551	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Hac-H"	59.013851
"966309"	228.027851	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+NaCOOH"	66.980151
"119592"	196.017102	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2Cl"	69.938804
"560979"	276.540952	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2Cl"	69.938804
"1033058"	115.493252	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2Cl"	69.938804
"1254096"	239.966585	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Br"	78.918885
"1318977"	242.022572	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl+HCOOH"	80.974872
"1335139"	264.004529	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl+NaCOOH"	102.956829
"925464"	274.033286	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+CF3COOH"	112.985586
"1302542"	310.009964	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl+CF3COOH"	148.962264
"1382166"	126.035024	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H-2H2O"	-35.012676
"1395644"	144.045	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H-H2O"	-17.0027
"292779"	323.102676	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H"	1.007276
"691315"	484.150376	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H"	1.007276
"1363010"	162.054976	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H"	1.007276
"138815"	162.054976	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2H"	2.014552
"570725"	242.578826	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2H"	2.014552
"1048272"	81.531126	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2H"	2.014552
"209612"	108.372409333333	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+3H"	3.021828
"654639"	162.054976	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+3H"	3.021828
"1170213"	54.6898426666667	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+3H"	3.021828
"429478"	340.129223	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+NH4"	18.033823
"792659"	501.176923	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+NH4"	18.033823
"1682548"	179.081523	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+NH4"	18.033823
"332532"	170.5682495	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H+NH4"	19.041099
"726411"	251.0920995	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H+NH4"	19.041099
"1479868"	90.0443995	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+NH4"	19.041099
"400009"	345.084618	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Na"	22.989218
"766470"	506.132318	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+Na"	22.989218
"1607281"	184.036918	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na"	22.989218
"319139"	173.045947	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H+Na"	23.996494
"715935"	253.569797	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H+Na"	23.996494
"1474129"	92.522097	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+Na"	23.996494
"1058626"	62.0171566666667	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2H+Na"	25.00377
"1262496"	194.081186	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+CH3OH+H"	33.033486
"384353"	361.058558	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+K"	38.963158
"746442"	522.106258	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+K"	38.963158
"1546308"	200.010858	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K"	38.963158
"307858"	181.032917	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H+K"	39.970434
"703559"	261.556767	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H+K"	39.970434
"1455195"	100.509067	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+K"	39.970434
"247074"	364.129226	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+ACN+H"	42.033826
"1216504"	203.081526	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+ACN+H"	42.033826
"1198202"	102.044401	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+ACN+2H"	43.041102
"197632"	367.06656	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2Na-H"	44.97116
"635006"	528.11426	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2Na-H"	44.97116
"1140699"	206.01886	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2Na-H"	44.97116
"173901"	184.036918	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2Na"	45.978436
"618817"	264.560768	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2Na"	45.978436
"1124879"	103.513068	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2Na"	45.978436
"1405122"	69.3444706666667	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+2Na"	46.985712
"1441975"	208.060446	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+HCOOH"	47.012746
"223288"	189.06994	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+3H2O+2H"	56.04448
"1514997"	222.11249	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+IsoProp+H"	61.06479
"420150"	192.023888	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Na+K"	61.952376
"781145"	272.547738	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+Na+K"	61.952376
"1675288"	111.500038	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na+K"	61.952376
"256342"	386.111168	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+ACN+Na"	64.015768
"1232330"	225.063468	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+ACN+Na"	64.015768
"1722309"	225.086993	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+NH4+HCOOH"	64.039293
"1187661"	76.6717846666667	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+3Na"	68.967654
"1660837"	230.042388	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na+HCOOH"	68.994688
"166605"	399.01444	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2K-H"	76.91904
"609446"	560.06214	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2K-H"	76.91904
"1093958"	237.96674	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2K-H"	76.91904
"154055"	200.010858	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2K"	77.926316
"583782"	280.534708	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2K"	77.926316
"1070841"	119.487008	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2K"	77.926316
"1103693"	239.981292	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2K+H"	78.933592
"1338980"	240.068907	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+DMSO+H"	79.021207
"1010791"	244.108076	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2ACN+H"	83.060376
"1527823"	245.101708	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+IsoProp+Na+H"	84.054008
"999385"	122.557676	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2ACN+2H"	84.067652
"1601183"	246.016328	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K+HCOOH"	84.968628
"1426478"	276.047838	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+CF3COOH"	115.000138
"1156769"	143.070951	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+3ACN+2H"	125.094202
"1705226"	293.074385	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+NH4+CF3COOH"	132.026685
"1647437"	298.02978	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na+CF3COOH"	136.98208
"1577619"	314.00372	"C06330"	"Quinoline-34-diol;34-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K+CF3COOH"	152.95602
"813453"	175.0633	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M"	0
"981517"	156.04491	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"68664"	115.701590666667	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"507130"	174.056024	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"886026"	57.3471573333333	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"6787"	174.056024	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"447442"	261.587674	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"825243"	86.524374	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"84141"	349.119324	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"528076"	524.182624	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"902602"	174.056024	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"58068"	366.145871	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"492162"	541.209171	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"876527"	191.082571	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"41148"	371.101266	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"486176"	546.164566	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"857416"	196.037966	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1632052"	196.037966	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"102387"	192.044363	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"543040"	279.576013	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"937648"	104.512713	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"274016"	385.096002	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"670813"	560.159302	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1279936"	210.032702	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"19212"	387.075206	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"466427"	562.138506	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"843134"	212.011906	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1567716"	212.011906	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"946850"	220.061494	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"373813"	395.124801	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"354416"	409.140451	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1502156"	234.077151	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"968605"	242.043451	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"119701"	210.032702	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"559266"	297.564352	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1029157"	122.501052	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1248738"	253.982185	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1317384"	256.038172	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1331964"	278.020129	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"924115"	288.048886	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1295358"	324.025564	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1374612"	140.050624	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1393932"	158.0606	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"292889"	351.133876	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"688592"	526.197176	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1359837"	176.070576	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"135644"	176.070576	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"569737"	263.602226	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1044733"	88.538926	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"209722"	117.716142666667	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"648188"	176.070576	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1167407"	59.3617093333333	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"428492"	368.160423	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"789488"	543.223723	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1681604"	193.097123	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"332276"	184.5838495	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"723968"	272.1154995	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1477788"	97.0521995	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"400118"	373.115818	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"766580"	548.179118	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1610305"	198.052518	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"319250"	187.061547	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"718231"	274.593197	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1470959"	99.529897	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1062016"	66.6890233333333	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1260785"	208.096786	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"385557"	389.089758	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"741449"	564.153058	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1549697"	214.026458	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"306875"	195.048517	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"702578"	282.580167	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1454211"	107.516867	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"242810"	392.160426	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1216614"	217.097126	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1197218"	109.052201	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"194462"	395.09776	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"635116"	570.16106	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1132790"	220.03446	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"172924"	198.052518	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"619291"	285.584168	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1124986"	110.520868	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1405232"	74.0163373333333	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1440626"	222.076046	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"227043"	203.08554	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1516200"	236.12809	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"420260"	206.039488	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"781984"	293.571138	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1676491"	118.507838	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"255359"	414.142368	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1232440"	239.079068	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1722419"	239.102593	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1187772"	81.3436513333333	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1660947"	244.057988	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"166715"	427.04564	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"609556"	602.10894	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1094070"	251.98234	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"154165"	214.026458	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"586078"	301.558108	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1070951"	126.494808	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1103803"	253.996892	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1337997"	254.084507	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1009807"	258.123676	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1526840"	259.117308	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"1002413"	129.565476	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1601782"	260.031928	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1423308"	290.063438	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1156879"	150.078751	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1706430"	307.089985	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1649006"	312.04538	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1577729"	328.01932	"C06331"	"2-Methylquinoline-34-diol"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"814656"	179.0582	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M"	0
"981627"	160.03981	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-H2O-H"	-19.01839
"72054"	118.364857333333	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M-3H"	-3.021828
"509427"	178.050924	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M-3H"	-3.021828
"889416"	58.6787906666667	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-3H"	-3.021828
"10178"	178.050924	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M-2H"	-2.014552
"445366"	267.580024	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M-2H"	-2.014552
"825354"	88.521824	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-2H"	-2.014552
"87533"	357.109124	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M-H"	-1.007276
"524908"	536.167324	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M-H"	-1.007276
"902712"	178.050924	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-H"	-1.007276
"52712"	374.135671	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M-2H+NH4"	16.019271
"493367"	553.193871	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M-2H+NH4"	16.019271
"877368"	195.077471	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-2H+NH4"	16.019271
"41258"	379.091066	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M-2H+Na"	20.974666
"484463"	558.149266	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M-2H+Na"	20.974666
"861901"	200.032866	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-2H+Na"	20.974666
"1625966"	200.032866	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Na-2H"	20.974666
"104683"	196.039263	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M-H+Cl"	33.962126
"543150"	285.568363	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M-H+Cl"	33.962126
"938851"	106.510163	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-H+Cl"	33.962126
"275219"	393.085802	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+Cl"	34.969402
"667642"	572.144002	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+Cl"	34.969402
"1277859"	214.027602	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Cl"	34.969402
"19322"	395.065006	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M-2H+K"	36.948606
"467630"	574.123206	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M-2H+K"	36.948606
"841058"	216.006806	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-2H+K"	36.948606
"1568919"	216.006806	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+K-2H"	36.948606
"952428"	224.056394	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-H+HCOOH"	44.998194
"372832"	403.114601	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+HCOOH-H"	44.998201
"353433"	417.130251	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+Hac-H"	59.013851
"1500079"	238.072051	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Hac-H"	59.013851
"964342"	246.038351	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-H+NaCOOH"	66.980151
"117625"	214.027602	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+2Cl"	69.938804
"557190"	303.556702	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+2Cl"	69.938804
"1029267"	124.498502	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2Cl"	69.938804
"1253954"	257.977085	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Br"	78.918885
"1313485"	260.033072	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Cl+HCOOH"	80.974872
"1331713"	282.015029	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Cl+NaCOOH"	102.956829
"923497"	292.043786	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M-H+CF3COOH"	112.985586
"1297655"	328.020464	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Cl+CF3COOH"	148.962264
"1375816"	144.045524	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H-2H2O"	-35.012676
"1393313"	162.0555	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H-H2O"	-17.0027
"291541"	359.123676	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+H"	1.007276
"685422"	538.181876	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+H"	1.007276
"1359583"	180.065476	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H"	1.007276
"136848"	180.065476	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+2H"	2.014552
"574586"	269.594576	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+2H"	2.014552
"1047759"	90.536376	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2H"	2.014552
"204278"	120.379409333333	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+3H"	3.021828
"645017"	180.065476	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+3H"	3.021828
"1163626"	60.6933426666667	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+3H"	3.021828
"425322"	376.150223	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+NH4"	18.033823
"786438"	555.208423	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+NH4"	18.033823
"1681336"	197.092023	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+NH4"	18.033823
"330930"	188.5787495	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+H+NH4"	19.041099
"724080"	278.1078495	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+H+NH4"	19.041099
"1477657"	99.0496495	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H+NH4"	19.041099
"401323"	381.105618	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+Na"	22.989218
"759037"	560.163818	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+Na"	22.989218
"1611510"	202.047418	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Na"	22.989218
"319362"	191.056447	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+H+Na"	23.996494
"711782"	280.585547	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+H+Na"	23.996494
"1467789"	101.527347	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H+Na"	23.996494
"1055930"	68.0206566666667	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2H+Na"	25.00377
"1264904"	212.091686	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+CH3OH+H"	33.033486
"383480"	397.079558	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+K"	38.963158
"742653"	576.137758	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+K"	38.963158
"1551995"	218.021358	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+K"	38.963158
"311358"	199.043417	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+H+K"	39.970434
"704872"	288.572517	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+H+K"	39.970434
"1455416"	109.514317	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H+K"	39.970434
"240736"	400.150226	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+ACN+H"	42.033826
"1212351"	221.092026	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+ACN+H"	42.033826
"1194775"	111.049651	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+ACN+2H"	43.041102
"194573"	403.08756	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+2Na-H"	44.97116
"630973"	582.14576	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+2Na-H"	44.97116
"1132535"	224.02936	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2Na-H"	44.97116
"173180"	202.047418	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+2Na"	45.978436
"619401"	291.576518	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+2Na"	45.978436
"1123271"	112.518318	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2Na"	45.978436
"1405343"	75.3479706666667	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H+2Na"	46.985712
"1435635"	226.070946	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H+HCOOH"	47.012746
"230435"	207.08044	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+3H2O+2H"	56.04448
"1517405"	240.12299	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+IsoProp+H"	61.06479
"418184"	210.034388	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+Na+K"	61.952376
"782094"	299.563488	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+Na+K"	61.952376
"1677696"	120.505288	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Na+K"	61.952376
"253646"	422.132168	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+ACN+Na"	64.015768
"1233644"	243.073968	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+ACN+Na"	64.015768
"1723625"	243.097493	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+NH4+HCOOH"	64.039293
"1188978"	82.6752846666667	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+3Na"	68.967654
"1659964"	248.052888	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Na+HCOOH"	68.994688
"166826"	435.03544	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+2K-H"	76.91904
"606387"	614.09364	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+2K-H"	76.91904
"1089807"	255.97724	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2K-H"	76.91904
"149902"	218.021358	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"2M+2K"	77.926316
"586188"	307.550458	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"3M+2K"	77.926316
"1070330"	128.492258	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2K"	77.926316
"1107194"	257.991792	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2K+H"	78.933592
"1337744"	258.079407	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+DMSO+H"	79.021207
"1008826"	262.118576	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2ACN+H"	83.060376
"1530233"	263.112208	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+IsoProp+Na+H"	84.054008
"1001063"	131.562926	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+2ACN+2H"	84.067652
"1600672"	264.026828	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+K+HCOOH"	84.968628
"1426334"	294.058338	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+H+CF3COOH"	115.000138
"1156989"	152.076201	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+3ACN+2H"	125.094202
"1708727"	311.084885	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+NH4+CF3COOH"	132.026685
"1649359"	316.04028	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+Na+CF3COOH"	136.98208
"1577839"	332.01422	"C06332"	"N-Acetylanthranilate;2-(Acetylamino)-benzoic acid;N-Acetylanthranilic acid"	"C9H9NO3"	"179.0582"	"M+K+CF3COOH"	152.95602
"811485"	173.0147	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M"	0
"978456"	153.99631	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-H2O-H"	-19.01839
"74351"	114.335857333333	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M-3H"	-3.021828
"511724"	172.007424	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M-3H"	-3.021828
"886248"	56.6642906666667	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-3H"	-3.021828
"10288"	172.007424	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H"	-2.014552
"447664"	258.514774	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H"	-2.014552
"829839"	85.500074	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H"	-2.014552
"87644"	345.022124	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M-H"	-1.007276
"525018"	518.036824	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M-H"	-1.007276
"903915"	172.007424	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-H"	-1.007276
"52822"	362.048671	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+NH4"	16.019271
"493477"	535.063371	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+NH4"	16.019271
"876749"	189.033971	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H+NH4"	16.019271
"43558"	367.004066	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+Na"	20.974666
"484938"	540.018766	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+Na"	20.974666
"862740"	193.989366	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H+Na"	20.974666
"1629357"	193.989366	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na-2H"	20.974666
"101515"	189.995763	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M-H+Cl"	33.962126
"544356"	276.503113	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M-H+Cl"	33.962126
"940056"	103.488413	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+Cl"	33.962126
"277154"	380.998802	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Cl"	34.969402
"668482"	554.013502	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+Cl"	34.969402
"1281979"	207.984102	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl"	34.969402
"23806"	382.978006	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+K"	36.948606
"463367"	555.992706	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+K"	36.948606
"838982"	209.963306	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H+K"	36.948606
"1564656"	209.963306	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+K-2H"	36.948606
"950353"	218.012894	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+HCOOH"	44.998194
"371850"	391.027601	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+HCOOH-H"	44.998201
"350263"	405.043251	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Hac-H"	59.013851
"1496910"	232.028551	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Hac-H"	59.013851
"965548"	239.994851	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+NaCOOH"	66.980151
"117737"	207.984102	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2Cl"	69.938804
"557300"	294.491452	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2Cl"	69.938804
"1028284"	121.476752	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2Cl"	69.938804
"1254063"	251.933585	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Br"	78.918885
"1316512"	253.989572	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+HCOOH"	80.974872
"1333284"	275.971529	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+NaCOOH"	102.956829
"925431"	286.000286	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+CF3COOH"	112.985586
"1296673"	321.976964	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+CF3COOH"	148.962264
"1375927"	138.002024	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H-2H2O"	-35.012676
"1394881"	156.012	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H-H2O"	-17.0027
"292745"	347.036676	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H"	1.007276
"685532"	520.051376	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H"	1.007276
"1360057"	174.021976	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H"	1.007276
"134405"	174.021976	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2H"	2.014552
"573237"	260.529326	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2H"	2.014552
"1048962"	87.514626	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2H"	2.014552
"204547"	116.350409333333	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+3H"	3.021828
"644511"	174.021976	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+3H"	3.021828
"1162962"	58.6788426666667	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+3H"	3.021828
"424944"	364.063223	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+NH4"	18.033823
"786548"	537.077923	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+NH4"	18.033823
"1681774"	191.048523	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+NH4"	18.033823
"330676"	182.5352495	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H+NH4"	19.041099
"723947"	269.0425995	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H+NH4"	19.041099
"1479832"	96.0278995	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+NH4"	19.041099
"401433"	369.018618	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Na"	22.989218
"760607"	542.033318	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+Na"	22.989218
"1608340"	196.003918	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na"	22.989218
"321656"	185.012947	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H+Na"	23.996494
"710798"	271.520297	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H+Na"	23.996494
"1467899"	98.505597	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+Na"	23.996494
"1057134"	66.0061566666667	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2H+Na"	25.00377
"1260641"	206.048186	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+CH3OH+H"	33.033486
"379217"	384.992558	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+K"	38.963158
"742399"	558.007258	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+K"	38.963158
"1551011"	211.977858	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+K"	38.963158
"308188"	192.999917	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H+K"	39.970434
"702432"	279.507267	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H+K"	39.970434
"1455526"	106.492567	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+K"	39.970434
"239752"	388.063226	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+ACN+H"	42.033826
"1215741"	215.048526	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+H"	42.033826
"1195372"	108.027901	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+2H"	43.041102
"194684"	391.00056	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2Na-H"	44.97116
"629261"	564.01526	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2Na-H"	44.97116
"1131419"	217.98586	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2Na-H"	44.97116
"173033"	196.003918	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2Na"	45.978436
"619878"	282.511268	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2Na"	45.978436
"1119737"	109.496568	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2Na"	45.978436
"1408734"	73.3334706666667	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+2Na"	46.985712
"1441943"	220.027446	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+HCOOH"	47.012746
"230545"	201.03694	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+3H2O+2H"	56.04448
"1517515"	234.07949	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+IsoProp+H"	61.06479
"418294"	203.990888	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Na+K"	61.952376
"780381"	290.498238	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+Na+K"	61.952376
"1677809"	117.483538	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na+K"	61.952376
"256674"	410.045168	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+ACN+Na"	64.015768
"1228288"	237.030468	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+Na"	64.015768
"1718268"	237.053993	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+NH4+HCOOH"	64.039293
"1187997"	80.6607846666667	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+3Na"	68.967654
"1657888"	242.009388	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na+HCOOH"	68.994688
"160376"	422.94844	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2K-H"	76.91904
"602123"	595.96314	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2K-H"	76.91904
"1087730"	249.93374	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2K-H"	76.91904
"144545"	211.977858	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2K"	77.926316
"587393"	298.485208	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2K"	77.926316
"1069716"	125.470508	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2K"	77.926316
"1109491"	251.948292	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2K+H"	78.933592
"1342594"	252.035907	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+DMSO+H"	79.021207
"1008937"	256.075076	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2ACN+H"	83.060376
"1528156"	257.068708	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+IsoProp+Na+H"	84.054008
"995701"	128.541176	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+2ACN+2H"	84.067652
"1595678"	257.983328	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+K+HCOOH"	84.968628
"1425715"	288.014838	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+CF3COOH"	115.000138
"1158191"	149.054451	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+3ACN+2H"	125.094202
"1708837"	305.041385	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+NH4+CF3COOH"	132.026685
"1646308"	309.99678	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na+CF3COOH"	136.98208
"1577948"	325.97072	"C06333"	"2-Aminobenzenesulfonate;2-Aminobenzenesulfonic acid;o-Aminobenzenesulfonic acid;Orthanilic acid"	"C6H7NO3S"	"173.0147"	"M+K+CF3COOH"	152.95602
"808315"	173.0147	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M"	0
"976379"	153.99631	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-H2O-H"	-19.01839
"66807"	114.335857333333	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M-3H"	-3.021828
"511834"	172.007424	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M-3H"	-3.021828
"886358"	56.6642906666667	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-3H"	-3.021828
"10398"	172.007424	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M-2H"	-2.014552
"444494"	258.514774	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M-2H"	-2.014552
"827762"	85.500074	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-2H"	-2.014552
"86660"	345.022124	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M-H"	-1.007276
"527315"	518.036824	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M-H"	-1.007276
"904025"	172.007424	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-H"	-1.007276
"52932"	362.048671	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+NH4"	16.019271
"493587"	535.063371	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+NH4"	16.019271
"876858"	189.033971	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-2H+NH4"	16.019271
"42572"	367.004066	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+Na"	20.974666
"483955"	540.018766	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+Na"	20.974666
"859933"	193.989366	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-2H+Na"	20.974666
"1629467"	193.989366	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Na-2H"	20.974666
"102718"	189.995763	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M-H+Cl"	33.962126
"544466"	276.503113	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M-H+Cl"	33.962126
"939073"	103.488413	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-H+Cl"	33.962126
"276900"	380.998802	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+Cl"	34.969402
"669321"	554.013502	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+Cl"	34.969402
"1280995"	207.984102	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Cl"	34.969402
"23916"	382.978006	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+K"	36.948606
"464570"	555.992706	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+K"	36.948606
"842008"	209.963306	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-2H+K"	36.948606
"1568775"	209.963306	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+K-2H"	36.948606
"951556"	218.012894	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-H+HCOOH"	44.998194
"371960"	391.027601	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+HCOOH-H"	44.998201
"353652"	405.043251	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+Hac-H"	59.013851
"1499571"	232.028551	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Hac-H"	59.013851
"965657"	239.994851	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-H+NaCOOH"	66.980151
"115295"	207.984102	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+2Cl"	69.938804
"558503"	294.491452	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+2Cl"	69.938804
"1028394"	121.476752	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2Cl"	69.938804
"1252350"	251.933585	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Br"	78.918885
"1317715"	253.989572	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+HCOOH"	80.974872
"1331934"	275.971529	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+NaCOOH"	102.956829
"924813"	286.000286	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M-H+CF3COOH"	112.985586
"1293503"	321.976964	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+CF3COOH"	148.962264
"1373850"	138.002024	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H-2H2O"	-35.012676
"1392439"	156.012	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H-H2O"	-17.0027
"292126"	347.036676	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+H"	1.007276
"686734"	520.051376	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+H"	1.007276
"1362354"	174.021976	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H"	1.007276
"136702"	174.021976	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+2H"	2.014552
"579180"	260.529326	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+2H"	2.014552
"1049436"	87.514626	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2H"	2.014552
"205555"	116.350409333333	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+3H"	3.021828
"644747"	174.021976	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+3H"	3.021828
"1168829"	58.6788426666667	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+3H"	3.021828
"424686"	364.063223	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+NH4"	18.033823
"786537"	537.077923	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+NH4"	18.033823
"1681486"	191.048523	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+NH4"	18.033823
"332973"	182.5352495	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+H+NH4"	19.041099
"724177"	269.0425995	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+H+NH4"	19.041099
"1479942"	96.0278995	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H+NH4"	19.041099
"403729"	369.018618	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+Na"	22.989218
"764726"	542.033318	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+Na"	22.989218
"1611729"	196.003918	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Na"	22.989218
"320672"	185.012947	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+H+Na"	23.996494
"714188"	271.520297	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+H+Na"	23.996494
"1466915"	98.505597	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H+Na"	23.996494
"1057974"	66.0061566666667	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2H+Na"	25.00377
"1261845"	206.048186	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+CH3OH+H"	33.033486
"381514"	384.992558	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+K"	38.963158
"743603"	558.007258	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+K"	38.963158
"1551123"	211.977858	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+K"	38.963158
"309392"	192.999917	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+H+K"	39.970434
"701813"	279.507267	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+H+K"	39.970434
"1455636"	106.492567	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H+K"	39.970434
"238768"	388.063226	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+ACN+H"	42.033826
"1213664"	215.048526	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+H"	42.033826
"1196455"	108.027901	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+2H"	43.041102
"193700"	391.00056	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+2Na-H"	44.97116
"629857"	564.01526	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+2Na-H"	44.97116
"1131356"	217.98586	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2Na-H"	44.97116
"172926"	196.003918	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+2Na"	45.978436
"620717"	282.511268	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+2Na"	45.978436
"1120211"	109.496568	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2Na"	45.978436
"1412125"	73.3334706666667	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H+2Na"	46.985712
"1439866"	220.027446	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H+HCOOH"	47.012746
"230655"	201.03694	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+3H2O+2H"	56.04448
"1519812"	234.07949	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+IsoProp+H"	61.06479
"421685"	203.990888	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+Na+K"	61.952376
"780491"	290.498238	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+Na+K"	61.952376
"1676826"	117.483538	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Na+K"	61.952376
"260062"	410.045168	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+ACN+Na"	64.015768
"1233865"	237.030468	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+Na"	64.015768
"1724939"	237.053993	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+NH4+HCOOH"	64.039293
"1187013"	80.6607846666667	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+3Na"	68.967654
"1657998"	242.009388	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Na+HCOOH"	68.994688
"163767"	422.94844	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+2K-H"	76.91904
"600410"	595.96314	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+2K-H"	76.91904
"1092214"	249.93374	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2K-H"	76.91904
"145018"	211.977858	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"2M+2K"	77.926316
"585679"	298.485208	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"3M+2K"	77.926316
"1069457"	125.470508	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2K"	77.926316
"1103039"	251.948292	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2K+H"	78.933592
"1335730"	252.035907	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+DMSO+H"	79.021207
"1006858"	256.075076	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2ACN+H"	83.060376
"1524372"	257.068708	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+IsoProp+Na+H"	84.054008
"994718"	128.541176	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+2ACN+2H"	84.067652
"1596881"	257.983328	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+K+HCOOH"	84.968628
"1426918"	288.014838	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+H+CF3COOH"	115.000138
"1155022"	149.054451	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+3ACN+2H"	125.094202
"1710040"	305.041385	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+NH4+CF3COOH"	132.026685
"1646418"	309.99678	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+Na+CF3COOH"	136.98208
"1574778"	325.97072	"C06334"	"Metanilic acid;3-Aminobenzenesulfonate;3-Aminobenzenesulfonic acid;m-Aminobenzenesulfonic acid"	"C6H7NO3S"	"173.0147"	"M+K+CF3COOH"	152.95602
"816080"	173.0147	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M"	0
"987424"	153.99631	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-H2O-H"	-19.01839
"73479"	114.335857333333	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M-3H"	-3.021828
"518144"	172.007424	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M-3H"	-3.021828
"893029"	56.6642906666667	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-3H"	-3.021828
"7230"	172.007424	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H"	-2.014552
"450072"	258.514774	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H"	-2.014552
"828966"	85.500074	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H"	-2.014552
"90053"	345.022124	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M-H"	-1.007276
"530342"	518.036824	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M-H"	-1.007276
"909729"	172.007424	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-H"	-1.007276
"51949"	362.048671	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+NH4"	16.019271
"495883"	535.063371	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+NH4"	16.019271
"872590"	189.033971	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H+NH4"	16.019271
"42681"	367.004066	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+Na"	20.974666
"482242"	540.018766	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+Na"	20.974666
"859679"	193.989366	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H+Na"	20.974666
"1631036"	193.989366	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na-2H"	20.974666
"103921"	189.995763	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M-H+Cl"	33.962126
"547493"	276.503113	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M-H+Cl"	33.962126
"940277"	103.488413	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+Cl"	33.962126
"278469"	380.998802	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Cl"	34.969402
"669433"	554.013502	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+Cl"	34.969402
"1283293"	207.984102	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl"	34.969402
"22569"	382.978006	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M-2H+K"	36.948606
"462493"	555.992706	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M-2H+K"	36.948606
"842482"	209.963306	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-2H+K"	36.948606
"1559409"	209.963306	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+K-2H"	36.948606
"953490"	218.012894	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+HCOOH"	44.998194
"371706"	391.027601	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+HCOOH-H"	44.998201
"351941"	405.043251	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Hac-H"	59.013851
"1497495"	232.028551	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Hac-H"	59.013851
"966861"	239.994851	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+NaCOOH"	66.980151
"119052"	207.984102	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2Cl"	69.938804
"560801"	294.491452	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2Cl"	69.938804
"1030693"	121.476752	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2Cl"	69.938804
"1255013"	251.933585	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Br"	78.918885
"1313816"	253.989572	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+HCOOH"	80.974872
"1332041"	275.971529	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+NaCOOH"	102.956829
"925285"	286.000286	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M-H+CF3COOH"	112.985586
"1300172"	321.976964	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Cl+CF3COOH"	148.962264
"1379427"	138.002024	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H-2H2O"	-35.012676
"1392550"	156.012	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H-H2O"	-17.0027
"293329"	347.036676	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H"	1.007276
"689032"	520.051376	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H"	1.007276
"1359913"	174.021976	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H"	1.007276
"139729"	174.021976	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2H"	2.014552
"574551"	260.529326	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2H"	2.014552
"1050278"	87.514626	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2H"	2.014552
"206152"	116.350409333333	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+3H"	3.021828
"644353"	174.021976	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+3H"	3.021828
"1163834"	58.6788426666667	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+3H"	3.021828
"424385"	364.063223	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+NH4"	18.033823
"786648"	537.077923	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+NH4"	18.033823
"1681396"	191.048523	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+NH4"	18.033823
"332352"	182.5352495	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H+NH4"	19.041099
"724409"	269.0425995	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H+NH4"	19.041099
"1481877"	96.0278995	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+NH4"	19.041099
"404932"	369.018618	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Na"	22.989218
"764836"	542.033318	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+Na"	22.989218
"1611839"	196.003918	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na"	22.989218
"320782"	185.012947	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H+Na"	23.996494
"714298"	271.520297	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H+Na"	23.996494
"1467025"	98.505597	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+Na"	23.996494
"1056991"	66.0061566666667	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2H+Na"	25.00377
"1267421"	206.048186	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+CH3OH+H"	33.033486
"383812"	384.992558	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+K"	38.963158
"745899"	558.007258	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+K"	38.963158
"1551231"	211.977858	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+K"	38.963158
"311689"	192.999917	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+H+K"	39.970434
"704110"	279.507267	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+H+K"	39.970434
"1455746"	106.492567	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+K"	39.970434
"237787"	388.063226	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+ACN+H"	42.033826
"1210206"	215.048526	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+H"	42.033826
"1195471"	108.027901	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+2H"	43.041102
"189799"	391.00056	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2Na-H"	44.97116
"629724"	564.01526	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2Na-H"	44.97116
"1131507"	217.98586	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2Na-H"	44.97116
"173592"	196.003918	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2Na"	45.978436
"620827"	282.511268	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2Na"	45.978436
"1120321"	109.496568	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2Na"	45.978436
"1410411"	73.3334706666667	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+2Na"	46.985712
"1443744"	220.027446	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+HCOOH"	47.012746
"231859"	201.03694	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+3H2O+2H"	56.04448
"1521745"	234.07949	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+IsoProp+H"	61.06479
"420336"	203.990888	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+Na+K"	61.952376
"779508"	290.498238	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+Na+K"	61.952376
"1676936"	117.483538	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na+K"	61.952376
"252883"	410.045168	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+ACN+Na"	64.015768
"1233975"	237.030468	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+ACN+Na"	64.015768
"1725049"	237.053993	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+NH4+HCOOH"	64.039293
"1188216"	80.6607846666667	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+3Na"	68.967654
"1660295"	242.009388	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na+HCOOH"	68.994688
"164970"	422.94844	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2K-H"	76.91904
"599064"	595.96314	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2K-H"	76.91904
"1086127"	249.93374	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2K-H"	76.91904
"143674"	211.977858	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"2M+2K"	77.926316
"585789"	298.485208	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"3M+2K"	77.926316
"1069568"	125.470508	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2K"	77.926316
"1101327"	251.948292	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2K+H"	78.933592
"1336008"	252.035907	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+DMSO+H"	79.021207
"1006845"	256.075076	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2ACN+H"	83.060376
"1525581"	257.068708	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+IsoProp+Na+H"	84.054008
"995921"	128.541176	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+2ACN+2H"	84.067652
"1602583"	257.983328	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+K+HCOOH"	84.968628
"1424837"	288.014838	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+H+CF3COOH"	115.000138
"1152937"	149.054451	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+3ACN+2H"	125.094202
"1707963"	305.041385	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+NH4+CF3COOH"	132.026685
"1646528"	309.99678	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+Na+CF3COOH"	136.98208
"1571972"	325.97072	"C06335"	"4-Aminobenzenesulfonate;4-Aminobenzenesulfonic acid;p-Aminobenzenesulfonic acid;Sulfanilic acid"	"C6H7NO3S"	"173.0147"	"M+K+CF3COOH"	152.95602
"815097"	189.9936	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M"	0
"987537"	170.97521	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-H2O-H"	-19.01839
"68124"	125.655124	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M-3H"	-3.021828
"508778"	188.986324	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M-3H"	-3.021828
"886579"	62.323924	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-3H"	-3.021828
"1872"	188.986324	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M-2H"	-2.014552
"451276"	283.983124	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M-2H"	-2.014552
"822517"	93.989524	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-2H"	-2.014552
"81780"	378.979924	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M-H"	-1.007276
"525348"	568.973524	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M-H"	-1.007276
"899140"	188.986324	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-H"	-1.007276
"55339"	396.006471	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M-2H+NH4"	16.019271
"494901"	586.000071	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M-2H+NH4"	16.019271
"874891"	206.012871	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-2H+NH4"	16.019271
"43156"	400.961866	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M-2H+Na"	20.974666
"482718"	590.955466	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M-2H+Na"	20.974666
"863072"	210.968266	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-2H+Na"	20.974666
"1629324"	210.968266	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Na-2H"	20.974666
"102939"	206.974663	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M-H+Cl"	33.962126
"544684"	301.971463	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M-H+Cl"	33.962126
"937836"	111.977863	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-H+Cl"	33.962126
"273477"	414.956602	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+Cl"	34.969402
"666991"	604.950202	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+Cl"	34.969402
"1280489"	224.963002	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Cl"	34.969402
"24138"	416.935806	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M-2H+K"	36.948606
"462607"	606.929406	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M-2H+K"	36.948606
"840409"	226.942206	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-2H+K"	36.948606
"1566083"	226.942206	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+K-2H"	36.948606
"953600"	234.991794	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-H+HCOOH"	44.998194
"369989"	424.985401	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+HCOOH-H"	44.998201
"351694"	439.001051	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+Hac-H"	59.013851
"1502715"	249.007451	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Hac-H"	59.013851
"964787"	256.973751	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-H+NaCOOH"	66.980151
"116975"	224.963002	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+2Cl"	69.938804
"555443"	319.959802	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+2Cl"	69.938804
"1026430"	129.966202	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2Cl"	69.938804
"1249288"	268.912485	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Br"	78.918885
"1306999"	270.968472	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Cl+HCOOH"	80.974872
"1327045"	292.950429	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Cl+NaCOOH"	102.956829
"919198"	302.979186	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M-H+CF3COOH"	112.985586
"1299186"	338.955864	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Cl+CF3COOH"	148.962264
"1372975"	154.980924	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H-2H2O"	-35.012676
"1386827"	172.9909	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H-H2O"	-17.0027
"287972"	380.994476	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+H"	1.007276
"677116"	570.988076	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+H"	1.007276
"1354192"	191.000876	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H"	1.007276
"127811"	191.000876	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+2H"	2.014552
"568103"	285.997676	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+2H"	2.014552
"1040183"	96.004076	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2H"	2.014552
"208084"	127.669676	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+3H"	3.021828
"645457"	191.000876	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+3H"	3.021828
"1163135"	64.338476	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+3H"	3.021828
"425156"	398.021023	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+NH4"	18.033823
"791132"	588.014623	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+NH4"	18.033823
"1687462"	208.027423	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+NH4"	18.033823
"330760"	199.5141495	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+H+NH4"	19.041099
"724884"	294.5109495	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+H+NH4"	19.041099
"1480894"	104.5173495	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H+NH4"	19.041099
"402856"	402.976418	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+Na"	22.989218
"766039"	592.970018	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+Na"	22.989218
"1611949"	212.982818	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Na"	22.989218
"323080"	201.991847	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+H+Na"	23.996494
"717689"	296.988647	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+H+Na"	23.996494
"1467135"	106.995047	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H+Na"	23.996494
"1056372"	71.66579	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2H+Na"	25.00377
"1263157"	223.027086	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+CH3OH+H"	33.033486
"380639"	418.950358	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+K"	38.963158
"746010"	608.943958	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+K"	38.963158
"1551341"	228.956758	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+K"	38.963158
"311799"	209.978817	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+H+K"	39.970434
"704221"	304.975617	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+H+K"	39.970434
"1453669"	114.982017	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H+K"	39.970434
"237896"	422.021026	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+ACN+H"	42.033826
"1211087"	232.027426	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+ACN+H"	42.033826
"1194969"	116.517351	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+ACN+2H"	43.041102
"189418"	424.95836	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+2Na-H"	44.97116
"628773"	614.95196	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+2Na-H"	44.97116
"1132972"	234.96476	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2Na-H"	44.97116
"173863"	212.982818	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+2Na"	45.978436
"620937"	307.979618	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+2Na"	45.978436
"1122254"	117.986018	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2Na"	45.978436
"1411614"	78.993104	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H+2Na"	46.985712
"1444950"	237.006346	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H+HCOOH"	47.012746
"231605"	218.01584	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+3H2O+2H"	56.04448
"1520760"	251.05839	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+IsoProp+H"	61.06479
"421176"	220.969788	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+Na+K"	61.952376
"781805"	315.966588	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+Na+K"	61.952376
"1679232"	125.972988	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Na+K"	61.952376
"255909"	444.002968	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+ACN+Na"	64.015768
"1238459"	254.009368	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+ACN+Na"	64.015768
"1726252"	254.032893	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+NH4+HCOOH"	64.039293
"1188326"	86.320418	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+3Na"	68.967654
"1660405"	258.988288	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Na+HCOOH"	68.994688
"163987"	456.90624	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+2K-H"	76.91904
"602454"	646.89984	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+2K-H"	76.91904
"1089154"	266.91264	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2K-H"	76.91904
"143783"	228.956758	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"2M+2K"	77.926316
"582011"	323.953558	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"3M+2K"	77.926316
"1070042"	133.959958	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2K"	77.926316
"1101437"	268.927192	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2K+H"	78.933592
"1338550"	269.014807	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+DMSO+H"	79.021207
"1009267"	273.053976	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2ACN+H"	83.060376
"1531768"	274.047608	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+IsoProp+Na+H"	84.054008
"992752"	137.030626	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+2ACN+2H"	84.067652
"1600384"	274.962228	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+K+HCOOH"	84.968628
"1428229"	304.993738	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+H+CF3COOH"	115.000138
"1154142"	157.543901	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+3ACN+2H"	125.094202
"1706973"	322.020285	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+NH4+CF3COOH"	132.026685
"1641531"	326.97568	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+Na+CF3COOH"	136.98208
"1571837"	342.94962	"C06336"	"3-Sulfocatechol;23-Dihydroxybenzenesulfonate"	"C6H6O5S"	"189.9936"	"M+K+CF3COOH"	152.95602
"814843"	166.0266	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M"	0
"986553"	147.00821	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H2O-H"	-19.01839
"68234"	109.677124	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-3H"	-3.021828
"512168"	165.019324	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-3H"	-3.021828
"889970"	54.334924	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-3H"	-3.021828
"7450"	165.019324	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H"	-2.014552
"444825"	248.032624	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H"	-2.014552
"822627"	82.006024	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H"	-2.014552
"80066"	331.045924	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-H"	-1.007276
"528375"	497.072524	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-H"	-1.007276
"907635"	165.019324	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H"	-1.007276
"57637"	348.072471	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H+NH4"	16.019271
"497927"	514.099071	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H+NH4"	16.019271
"875365"	182.045871	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H+NH4"	16.019271
"45090"	353.027866	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H+Na"	20.974666
"481369"	519.054466	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H+Na"	20.974666
"861361"	187.001266	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H+Na"	20.974666
"1632716"	187.001266	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na-2H"	20.974666
"105965"	183.007663	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-H+Cl"	33.962126
"549292"	266.020963	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-H+Cl"	33.962126
"938311"	99.994363	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+Cl"	33.962126
"275775"	367.022602	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Cl"	34.969402
"669288"	533.049202	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+Cl"	34.969402
"1280599"	200.996002	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl"	34.969402
"22064"	369.001806	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M-2H+K"	36.948606
"465998"	535.028406	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M-2H+K"	36.948606
"840519"	202.975206	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-2H+K"	36.948606
"1564007"	202.975206	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K-2H"	36.948606
"955532"	211.024794	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+HCOOH"	44.998194
"367912"	377.051401	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+HCOOH-H"	44.998201
"351804"	391.067051	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Hac-H"	59.013851
"1503918"	225.040451	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Hac-H"	59.013851
"969273"	233.006751	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+NaCOOH"	66.980151
"113806"	200.996002	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2Cl"	69.938804
"562116"	284.009302	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2Cl"	69.938804
"1029821"	117.982702	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2Cl"	69.938804
"1245026"	244.945485	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Br"	78.918885
"1310755"	247.001472	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl+HCOOH"	80.974872
"1327158"	268.983429	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl+NaCOOH"	102.956829
"920401"	279.012186	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M-H+CF3COOH"	112.985586
"1296017"	314.988864	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Cl+CF3COOH"	148.962264
"1379282"	131.013924	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H-2H2O"	-35.012676
"1390583"	149.0239	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H-H2O"	-17.0027
"290270"	333.060476	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H"	1.007276
"682694"	499.087076	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H"	1.007276
"1357948"	167.033876	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H"	1.007276
"135211"	167.033876	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2H"	2.014552
"569305"	250.047176	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2H"	2.014552
"1044668"	84.020576	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2H"	2.014552
"211474"	111.691676	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+3H"	3.021828
"644714"	167.033876	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+3H"	3.021828
"1163326"	56.349476	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+3H"	3.021828
"424781"	350.087023	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+NH4"	18.033823
"789055"	516.113623	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+NH4"	18.033823
"1687572"	184.060423	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+NH4"	18.033823
"333303"	175.5471495	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H+NH4"	19.041099
"723901"	258.5604495	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H+NH4"	19.041099
"1482461"	92.5338495	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+NH4"	19.041099
"407341"	355.042418	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Na"	22.989218
"769308"	521.069018	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+Na"	22.989218
"1614247"	189.015818	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na"	22.989218
"327565"	178.024847	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H+Na"	23.996494
"715613"	261.038147	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H+Na"	23.996494
"1469432"	95.011547	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+Na"	23.996494
"1061585"	63.67679	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2H+Na"	25.00377
"1263267"	199.060086	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+CH3OH+H"	33.033486
"378805"	371.016358	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+K"	38.963158
"743934"	537.042958	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+K"	38.963158
"1545989"	204.989758	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K"	38.963158
"306444"	186.011817	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+H+K"	39.970434
"697772"	269.025117	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+H+K"	39.970434
"1446365"	102.998517	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+K"	39.970434
"237634"	374.087026	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+ACN+H"	42.033826
"1210830"	208.060426	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+ACN+H"	42.033826
"1194426"	104.533851	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+ACN+2H"	43.041102
"188717"	377.02436	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2Na-H"	44.97116
"629081"	543.05096	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2Na-H"	44.97116
"1131411"	210.99776	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2Na-H"	44.97116
"173000"	189.015818	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2Na"	45.978436
"621047"	272.029118	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2Na"	45.978436
"1122364"	106.002518	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2Na"	45.978436
"1409901"	71.004104	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+2Na"	46.985712
"1445270"	213.039346	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+HCOOH"	47.012746
"231351"	194.04884	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+3H2O+2H"	56.04448
"1521601"	227.09139	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+H"	61.06479
"422016"	197.002788	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+Na+K"	61.952376
"784835"	280.016088	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+Na+K"	61.952376
"1680933"	113.989488	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na+K"	61.952376
"258206"	396.068968	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+ACN+Na"	64.015768
"1239664"	230.042368	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+ACN+Na"	64.015768
"1725270"	230.065893	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+NH4+HCOOH"	64.039293
"1193298"	78.331418	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+3Na"	68.967654
"1661609"	235.021288	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na+HCOOH"	68.994688
"164097"	408.97224	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2K-H"	76.91904
"602565"	574.99884	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2K-H"	76.91904
"1091451"	242.94564	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2K-H"	76.91904
"147174"	204.989758	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"2M+2K"	77.926316
"582117"	288.003058	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"3M+2K"	77.926316
"1070516"	121.976458	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2K"	77.926316
"1101425"	244.960192	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2K+H"	78.933592
"1339753"	245.047807	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+DMSO+H"	79.021207
"1007431"	249.086976	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2ACN+H"	83.060376
"1532971"	250.080608	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+Na+H"	84.054008
"992862"	125.047126	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+2ACN+2H"	84.067652
"1590646"	250.995228	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K+HCOOH"	84.968628
"1426152"	281.026738	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+H+CF3COOH"	115.000138
"1153158"	145.560401	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+3ACN+2H"	125.094202
"1700522"	298.053285	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+NH4+CF3COOH"	132.026685
"1641641"	303.00868	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+Na+CF3COOH"	136.98208
"1571827"	318.98262	"C06337"	"Terephthalate;Terephthalic acid;14-Benzenedicarboxylic acid"	"C8H6O4"	"166.0266"	"M+K+CF3COOH"	152.95602
"816749"	145.0528	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M"	0
"985569"	126.03441	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-H2O-H"	-19.01839
"68344"	95.6945906666667	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M-3H"	-3.021828
"512278"	144.045524	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M-3H"	-3.021828
"886800"	47.3436573333333	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-3H"	-3.021828
"6467"	144.045524	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M-2H"	-2.014552
"444935"	216.571924	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M-2H"	-2.014552
"823101"	71.519124	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-2H"	-2.014552
"84918"	289.098324	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M-H"	-1.007276
"528850"	434.151124	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M-H"	-1.007276
"908111"	144.045524	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-H"	-1.007276
"58841"	306.124871	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M-2H+NH4"	16.019271
"498766"	451.177671	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M-2H+NH4"	16.019271
"875475"	161.072071	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-2H+NH4"	16.019271
"44106"	311.080266	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M-2H+Na"	20.974666
"481479"	456.133066	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M-2H+Na"	20.974666
"861471"	166.027466	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-2H+Na"	20.974666
"1633555"	166.027466	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Na-2H"	20.974666
"107898"	162.033863	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M-H+Cl"	33.962126
"549567"	234.560263	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M-H+Cl"	33.962126
"941702"	89.507463	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-H+Cl"	33.962126
"281840"	325.075002	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+Cl"	34.969402
"671950"	470.127802	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+Cl"	34.969402
"1282897"	180.022202	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Cl"	34.969402
"24361"	327.054206	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M-2H+K"	36.948606
"465015"	472.107006	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M-2H+K"	36.948606
"842816"	182.001406	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-2H+K"	36.948606
"1564117"	182.001406	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+K-2H"	36.948606
"952726"	190.050994	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-H+HCOOH"	44.998194
"368022"	335.103801	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+HCOOH-H"	44.998201
"355194"	349.119451	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+Hac-H"	59.013851
"1501841"	204.066651	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Hac-H"	59.013851
"966103"	212.032951	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-H+NaCOOH"	66.980151
"112823"	180.022202	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+2Cl"	69.938804
"561132"	252.548602	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+2Cl"	69.938804
"1029931"	107.495802	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2Cl"	69.938804
"1244043"	223.971685	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Br"	78.918885
"1307585"	226.027672	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Cl+HCOOH"	80.974872
"1323988"	248.009629	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Cl+NaCOOH"	102.956829
"922699"	258.038386	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M-H+CF3COOH"	112.985586
"1293940"	294.015064	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Cl+CF3COOH"	148.962264
"1369914"	110.040124	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H-2H2O"	-35.012676
"1395794"	128.0501	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H-H2O"	-17.0027
"293658"	291.112876	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+H"	1.007276
"688996"	436.165676	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+H"	1.007276
"1358056"	146.060076	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H"	1.007276
"129853"	146.060076	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+2H"	2.014552
"569415"	218.586476	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+2H"	2.014552
"1042592"	73.533676	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2H"	2.014552
"210492"	97.7091426666667	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+3H"	3.021828
"647137"	146.060076	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+3H"	3.021828
"1163436"	49.3582093333333	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+3H"	3.021828
"425252"	308.139423	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+NH4"	18.033823
"786005"	453.192223	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+NH4"	18.033823
"1687682"	163.086623	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+NH4"	18.033823
"330370"	154.5733495	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+H+NH4"	19.041099
"724009"	227.0997495	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+H+NH4"	19.041099
"1482571"	82.0469495	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H+NH4"	19.041099
"405264"	313.094818	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+Na"	22.989218
"769706"	458.147618	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+Na"	22.989218
"1614358"	168.042018	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Na"	22.989218
"324395"	157.051047	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+H+Na"	23.996494
"719004"	229.577447	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+H+Na"	23.996494
"1469542"	84.524647	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H+Na"	23.996494
"1058415"	56.6855233333333	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2H+Na"	25.00377
"1266658"	178.086286	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+CH3OH+H"	33.033486
"383047"	329.068758	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+K"	38.963158
"745137"	474.121558	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+K"	38.963158
"1545005"	184.015958	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+K"	38.963158
"304367"	165.038017	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+H+K"	39.970434
"698975"	237.564417	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+H+K"	39.970434
"1446961"	92.511617	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H+K"	39.970434
"235761"	332.139426	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+ACN+H"	42.033826
"1210090"	187.086626	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+ACN+H"	42.033826
"1194262"	94.046951	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+ACN+2H"	43.041102
"188604"	335.07676	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+2Na-H"	44.97116
"628829"	480.12956	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+2Na-H"	44.97116
"1131424"	190.02396	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2Na-H"	44.97116
"172944"	168.042018	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+2Na"	45.978436
"621157"	240.568418	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+2Na"	45.978436
"1121381"	95.515618	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2Na"	45.978436
"1410011"	64.0128373333333	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H+2Na"	46.985712
"1445493"	192.065546	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H+HCOOH"	47.012746
"230731"	173.07504	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+3H2O+2H"	56.04448
"1523532"	206.11759	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+IsoProp+H"	61.06479
"422490"	176.028988	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+Na+K"	61.952376
"784578"	248.555388	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+Na+K"	61.952376
"1681281"	103.502588	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Na+K"	61.952376
"258316"	354.121368	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+ACN+Na"	64.015768
"1241237"	209.068568	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+ACN+Na"	64.015768
"1728176"	209.092093	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+NH4+HCOOH"	64.039293
"1192921"	71.3401513333333	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+3Na"	68.967654
"1661719"	214.047488	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Na+HCOOH"	68.994688
"164207"	367.02464	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+2K-H"	76.91904
"601582"	512.07744	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+2K-H"	76.91904
"1088282"	221.97184	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2K-H"	76.91904
"144003"	184.015958	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"2M+2K"	77.926316
"584659"	256.542358	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"3M+2K"	77.926316
"1070991"	111.489558	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2K"	77.926316
"1103479"	223.986392	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2K+H"	78.933592
"1339863"	224.074007	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+DMSO+H"	79.021207
"1007299"	228.113176	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2ACN+H"	83.060376
"1531989"	229.106808	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+IsoProp+Na+H"	84.054008
"992972"	114.560226	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+2ACN+2H"	84.067652
"1588933"	230.021428	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+K+HCOOH"	84.968628
"1425168"	260.052938	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+H+CF3COOH"	115.000138
"1153268"	135.073501	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+3ACN+2H"	125.094202
"1698445"	277.079485	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+NH4+CF3COOH"	132.026685
"1641751"	282.03488	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+Na+CF3COOH"	136.98208
"1573030"	298.00882	"C06338"	"Quinolin-2-ol;2-Quinolone;2-Hydroxyquinoline;2-Quinolinol"	"C9H7NO"	"145.0528"	"M+K+CF3COOH"	152.95602
"814334"	179.0582	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M"	0
"982399"	160.03981	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-H2O-H"	-19.01839
"65174"	118.364857333333	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M-3H"	-3.021828
"505825"	178.050924	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M-3H"	-3.021828
"883629"	58.6787906666667	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-3H"	-3.021828
"2325"	178.050924	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M-2H"	-2.014552
"443951"	267.580024	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M-2H"	-2.014552
"822845"	88.521824	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-2H"	-2.014552
"79556"	357.109124	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M-H"	-1.007276
"527865"	536.167324	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M-H"	-1.007276
"905667"	178.050924	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-H"	-1.007276
"57131"	374.135671	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M-2H+NH4"	16.019271
"500701"	553.193871	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M-2H+NH4"	16.019271
"875952"	195.077471	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-2H+NH4"	16.019271
"43122"	379.091066	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M-2H+Na"	20.974666
"482319"	558.149266	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M-2H+Na"	20.974666
"860121"	200.032866	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-2H+Na"	20.974666
"1630019"	200.032866	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Na-2H"	20.974666
"105089"	196.039263	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M-H+Cl"	33.962126
"547202"	285.568363	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M-H+Cl"	33.962126
"941327"	106.510163	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-H+Cl"	33.962126
"280003"	393.085802	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+Cl"	34.969402
"666226"	572.144002	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+Cl"	34.969402
"1281907"	214.027602	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Cl"	34.969402
"24462"	395.065006	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M-2H+K"	36.948606
"462568"	574.123206	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M-2H+K"	36.948606
"838183"	216.006806	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-2H+K"	36.948606
"1560944"	216.006806	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+K-2H"	36.948606
"947733"	224.056394	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-H+HCOOH"	44.998194
"369225"	403.114601	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+HCOOH-H"	44.998201
"353118"	417.130251	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+Hac-H"	59.013851
"1505599"	238.072051	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Hac-H"	59.013851
"967306"	246.038351	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-H+NaCOOH"	66.980151
"117308"	214.027602	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+2Cl"	69.938804
"557962"	303.556702	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+2Cl"	69.938804
"1030408"	124.498502	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2Cl"	69.938804
"1247434"	257.977085	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Br"	78.918885
"1308788"	260.033072	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Cl+HCOOH"	80.974872
"1327378"	282.015029	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Cl+NaCOOH"	102.956829
"922809"	292.043786	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M-H+CF3COOH"	112.985586
"1302798"	328.020464	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Cl+CF3COOH"	148.962264
"1374399"	144.045524	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H-2H2O"	-35.012676
"1387522"	162.0555	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H-H2O"	-17.0027
"290489"	359.123676	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+H"	1.007276
"679263"	538.181876	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+H"	1.007276
"1354886"	180.065476	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H"	1.007276
"128502"	180.065476	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+2H"	2.014552
"566608"	269.594576	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+2H"	2.014552
"1042702"	90.536376	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2H"	2.014552
"209507"	120.379409333333	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+3H"	3.021828
"646152"	180.065476	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+3H"	3.021828
"1163912"	60.6933426666667	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+3H"	3.021828
"424429"	376.150223	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+NH4"	18.033823
"787086"	555.208423	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+NH4"	18.033823
"1681830"	197.092023	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+NH4"	18.033823
"330239"	188.5787495	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+H+NH4"	19.041099
"727038"	278.1078495	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+H+NH4"	19.041099
"1485600"	99.0496495	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H+NH4"	19.041099
"397718"	381.105618	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+Na"	22.989218
"758714"	560.163818	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+Na"	22.989218
"1611186"	202.047418	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Na"	22.989218
"320131"	191.056447	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+H+Na"	23.996494
"713647"	280.585547	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+H+Na"	23.996494
"1470749"	101.527347	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H+Na"	23.996494
"1063997"	68.0206566666667	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2H+Na"	25.00377
"1268590"	212.091686	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+CH3OH+H"	33.033486
"385344"	397.079558	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+K"	38.963158
"744154"	576.137758	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+K"	38.963158
"1548395"	218.021358	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+K"	38.963158
"306663"	199.043417	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+H+K"	39.970434
"700176"	288.572517	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+H+K"	39.970434
"1449622"	109.514317	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H+K"	39.970434
"235867"	400.150226	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+ACN+H"	42.033826
"1210811"	221.092026	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+ACN+H"	42.033826
"1194762"	111.049651	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+ACN+2H"	43.041102
"188890"	403.08756	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+2Na-H"	44.97116
"628814"	582.14576	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+2Na-H"	44.97116
"1131633"	224.02936	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2Na-H"	44.97116
"173342"	202.047418	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+2Na"	45.978436
"620173"	291.576518	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+2Na"	45.978436
"1122584"	112.518318	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2Na"	45.978436
"1414126"	75.3479706666667	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H+2Na"	46.985712
"1442239"	226.070946	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H+HCOOH"	47.012746
"232300"	207.08044	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+3H2O+2H"	56.04448
"1519633"	240.12299	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+IsoProp+H"	61.06479
"417859"	210.034388	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+Na+K"	61.952376
"784324"	299.563488	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+Na+K"	61.952376
"1680290"	120.505288	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Na+K"	61.952376
"263894"	422.132168	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+ACN+Na"	64.015768
"1238789"	243.073968	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+ACN+Na"	64.015768
"1725493"	243.097493	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+NH4+HCOOH"	64.039293
"1189750"	82.6752846666667	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+3Na"	68.967654
"1662923"	248.052888	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Na+HCOOH"	68.994688
"163223"	435.03544	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+2K-H"	76.91904
"599868"	614.09364	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+2K-H"	76.91904
"1087298"	255.97724	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2K-H"	76.91904
"145571"	218.021358	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"2M+2K"	77.926316
"583549"	307.550458	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"3M+2K"	77.926316
"1069641"	128.492258	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2K"	77.926316
"1101888"	257.991792	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2K+H"	78.933592
"1339973"	258.079407	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+DMSO+H"	79.021207
"1007409"	262.118576	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2ACN+H"	83.060376
"1525536"	263.112208	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+IsoProp+Na+H"	84.054008
"991988"	131.562926	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+2ACN+2H"	84.067652
"1590866"	264.026828	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+K+HCOOH"	84.968628
"1424185"	294.058338	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+H+CF3COOH"	115.000138
"1150463"	152.076201	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+3ACN+2H"	125.094202
"1702931"	311.084885	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+NH4+CF3COOH"	132.026685
"1636394"	316.04028	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+Na+CF3COOH"	136.98208
"1573141"	332.01422	"C06339"	"256-Trihydroxy-56-dihydroquinoline"	"C9H9NO3"	"179.0582"	"M+K+CF3COOH"	152.95602
"816512"	418.3447	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M"	0
"987978"	399.32631	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"71844"	277.889190666667	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"510310"	417.337424	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"893579"	138.440957333333	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"11061"	417.337424	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"447341"	626.509774	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"827329"	208.165074	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"89507"	835.682124	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"532111"	1254.026824	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"910773"	417.337424	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"60889"	852.708671	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"502806"	1271.053371	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"879889"	434.363971	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"45908"	857.664066	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"485347"	1276.008766	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"862058"	439.319366	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1632927"	439.319366	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"108606"	435.325763	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"549505"	644.498113	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"942171"	226.153413	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"279384"	871.658802	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"669617"	1290.003502	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1282747"	453.314102	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"27488"	873.638006	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"463043"	1291.982706	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"841938"	455.293306	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1564332"	455.293306	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"950029"	463.342894	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"370428"	881.687601	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"348486"	895.703251	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1507169"	477.358551	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"972888"	485.324851	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"120333"	453.314102	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"563904"	662.486452	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1033068"	244.141752	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1252649"	497.263585	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1307807"	499.319572	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1325301"	521.301529	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"919641"	531.330286	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1295255"	567.306964	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1373416"	383.332024	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1385810"	401.342	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"289506"	837.696676	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"679741"	1256.041376	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1353903"	419.351976	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"128252"	419.351976	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"571825"	628.524326	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1048278"	210.179626	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"216180"	279.903742666667	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"649178"	419.351976	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1169492"	140.455509333333	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"427296"	854.723223	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"789019"	1273.067923	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1682797"	436.378523	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"332902"	427.8652495	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"737237"	637.0375995	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1491790"	218.6928995	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"403296"	859.678618	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"764291"	1278.023318	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1612389"	441.333918	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"318054"	430.342947	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"717037"	639.515297	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1474139"	221.170597	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1064837"	147.782823333333	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1266879"	451.378186	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"389829"	875.652558	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"748638"	1293.997258	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1551786"	457.307858	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"307865"	438.329917	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"704660"	647.502267	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1457387"	229.157567	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"245988"	878.723226	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1212501"	460.378526	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1196019"	230.692901	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"189127"	881.66056	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"628886"	1300.00526	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1131671"	463.31586	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"173459"	441.333918	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"619189"	650.506268	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1128165"	232.161568	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1413030"	155.110137333333	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1443445"	465.357446	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"233869"	446.36694	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1521933"	479.40949	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"420890"	449.320888	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"783342"	658.493238	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1674205"	240.148538	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"265101"	900.705168	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1238175"	482.360468	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1723419"	482.383993	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1188771"	162.437451333333	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1662305"	487.339388	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"169532"	913.60844	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"601799"	1331.95314	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1088503"	495.26374	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"144225"	457.307858	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"583056"	666.480208	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1069025"	248.135508	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1100414"	497.278292	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1338989"	497.365907	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1006544"	501.405076	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1527830"	502.398708	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"992219"	251.206176	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1587696"	503.313328	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1422110"	533.344838	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1150573"	271.719451	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1700853"	550.371385	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1641972"	555.32678	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1573251"	571.30072	"C06341"	"7alpha27-Dihydroxycholesterol;Cholest-5-ene-3beta7alpha26-triol;Cholest-5-ene-3beta7alpha27-triol"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"816501"	161.0477	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M"	0
"988941"	142.02931	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-H2O-H"	-19.01839
"77422"	106.357857333333	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M-3H"	-3.021828
"510420"	160.040424	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M-3H"	-3.021828
"888223"	52.6752906666667	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-3H"	-3.021828
"5704"	160.040424	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M-2H"	-2.014552
"452192"	240.564274	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M-2H"	-2.014552
"828534"	79.516574	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-2H"	-2.014552
"88524"	321.088124	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M-H"	-1.007276
"533191"	482.135824	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M-H"	-1.007276
"910269"	160.040424	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-H"	-1.007276
"61241"	338.114671	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M-2H+NH4"	16.019271
"501653"	499.162371	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M-2H+NH4"	16.019271
"878972"	177.066971	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-2H+NH4"	16.019271
"45897"	343.070066	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M-2H+Na"	20.974666
"486309"	504.117766	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M-2H+Na"	20.974666
"862897"	182.022366	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-2H+Na"	20.974666
"1632430"	182.022366	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Na-2H"	20.974666
"108716"	178.028763	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M-H+Cl"	33.962126
"548645"	258.552613	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M-H+Cl"	33.962126
"941430"	97.504913	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-H+Cl"	33.962126
"281439"	357.064802	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+Cl"	34.969402
"671914"	518.112502	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+Cl"	34.969402
"1284317"	196.017102	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Cl"	34.969402
"25779"	359.044006	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M-2H+K"	36.948606
"465339"	520.091706	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M-2H+K"	36.948606
"843145"	197.996306	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-2H+K"	36.948606
"1565534"	197.996306	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+K-2H"	36.948606
"950141"	206.045894	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-H+HCOOH"	44.998194
"369445"	367.093601	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+HCOOH-H"	44.998201
"347869"	381.109251	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+Hac-H"	59.013851
"1507159"	220.061551	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Hac-H"	59.013851
"972634"	228.027851	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-H+NaCOOH"	66.980151
"123359"	196.017102	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+2Cl"	69.938804
"564016"	276.540952	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+2Cl"	69.938804
"1033178"	115.493252	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2Cl"	69.938804
"1255310"	239.966585	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Br"	78.918885
"1314477"	242.022572	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Cl+HCOOH"	80.974872
"1327600"	264.004529	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Cl+NaCOOH"	102.956829
"917565"	274.033286	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M-H+CF3COOH"	112.985586
"1300468"	310.009964	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Cl+CF3COOH"	148.962264
"1377900"	126.035024	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H-2H2O"	-35.012676
"1385920"	144.045	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H-H2O"	-17.0027
"295083"	323.102676	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+H"	1.007276
"680945"	484.150376	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+H"	1.007276
"1356566"	162.054976	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H"	1.007276
"128363"	162.054976	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+2H"	2.014552
"574123"	242.578826	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+2H"	2.014552
"1048389"	81.531126	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2H"	2.014552
"216290"	108.372409333333	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+3H"	3.021828
"650383"	162.054976	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+3H"	3.021828
"1165226"	54.6898426666667	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+3H"	3.021828
"428866"	340.129223	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+NH4"	18.033823
"786940"	501.176923	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+NH4"	18.033823
"1682299"	179.081523	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+NH4"	18.033823
"332041"	170.5682495	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+H+NH4"	19.041099
"735282"	251.0920995	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+H+NH4"	19.041099
"1490198"	90.0443995	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H+NH4"	19.041099
"405596"	345.084618	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+Na"	22.989218
"762215"	506.132318	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+Na"	22.989218
"1608127"	184.036918	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Na"	22.989218
"319257"	173.045947	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+H+Na"	23.996494
"717147"	253.569797	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+H+Na"	23.996494
"1469876"	92.522097	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H+Na"	23.996494
"1064218"	62.0171566666667	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2H+Na"	25.00377
"1265896"	194.081186	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+CH3OH+H"	33.033486
"391034"	361.058558	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+K"	38.963158
"750935"	522.106258	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+K"	38.963158
"1549707"	200.010858	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+K"	38.963158
"305790"	181.032917	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+H+K"	39.970434
"704771"	261.556767	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+H+K"	39.970434
"1458591"	100.509067	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H+K"	39.970434
"243913"	364.129226	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+ACN+H"	42.033826
"1217716"	203.081526	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+ACN+H"	42.033826
"1197222"	102.044401	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+ACN+2H"	43.041102
"189483"	367.06656	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+2Na-H"	44.97116
"628875"	528.11426	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+2Na-H"	44.97116
"1131577"	206.01886	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2Na-H"	44.97116
"181926"	184.036918	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+2Na"	45.978436
"616381"	264.560768	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+2Na"	45.978436
"1126088"	103.513068	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2Na"	45.978436
"1413624"	69.3444706666667	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H+2Na"	46.985712
"1444286"	208.060446	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H+HCOOH"	47.012746
"234706"	189.06994	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+3H2O+2H"	56.04448
"1522044"	222.11249	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+IsoProp+H"	61.06479
"422460"	192.023888	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+Na+K"	61.952376
"783822"	272.547738	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+Na+K"	61.952376
"1676139"	111.500038	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Na+K"	61.952376
"263389"	386.111168	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+ACN+Na"	64.015768
"1237193"	225.063468	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+ACN+Na"	64.015768
"1724624"	225.086993	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+NH4+HCOOH"	64.039293
"1188881"	76.6717846666667	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+3Na"	68.967654
"1662051"	230.042388	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Na+HCOOH"	68.994688
"168913"	399.01444	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+2K-H"	76.91904
"601913"	560.06214	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+2K-H"	76.91904
"1091893"	237.96674	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2K-H"	76.91904
"144335"	200.010858	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"2M+2K"	77.926316
"583530"	280.534708	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"3M+2K"	77.926316
"1069868"	119.487008	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2K"	77.926316
"1103809"	239.981292	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2K+H"	78.933592
"1339100"	240.068907	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+DMSO+H"	79.021207
"1006658"	244.108076	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2ACN+H"	83.060376
"1527940"	245.101708	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+IsoProp+Na+H"	84.054008
"993301"	122.557676	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+2ACN+2H"	84.067652
"1589263"	246.016328	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+K+HCOOH"	84.968628
"1420029"	276.047838	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+H+CF3COOH"	115.000138
"1155787"	143.070951	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+3ACN+2H"	125.094202
"1700963"	293.074385	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+NH4+CF3COOH"	132.026685
"1642082"	298.02978	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+Na+CF3COOH"	136.98208
"1574454"	314.00372	"C06342"	"Quinolin-28-diol"	"C9H7NO2"	"161.0477"	"M+K+CF3COOH"	152.95602
"804089"	145.0528	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M"	0
"976530"	126.03441	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-H2O-H"	-19.01839
"67688"	95.6945906666667	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M-3H"	-3.021828
"509434"	144.045524	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M-3H"	-3.021828
"883958"	47.3436573333333	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-3H"	-3.021828
"4717"	144.045524	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M-2H"	-2.014552
"445373"	216.571924	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M-2H"	-2.014552
"831560"	71.519124	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-2H"	-2.014552
"92646"	289.098324	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M-H"	-1.007276
"533789"	434.151124	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M-H"	-1.007276
"911275"	144.045524	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-H"	-1.007276
"61831"	306.124871	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M-2H+NH4"	16.019271
"500663"	451.177671	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M-2H+NH4"	16.019271
"876641"	161.072071	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-2H+NH4"	16.019271
"44545"	311.080266	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M-2H+Na"	20.974666
"483012"	456.133066	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M-2H+Na"	20.974666
"863489"	166.027466	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-2H+Na"	20.974666
"1633142"	166.027466	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Na-2H"	20.974666
"108699"	162.033863	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M-H+Cl"	33.962126
"547165"	234.560263	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M-H+Cl"	33.962126
"935577"	89.507463	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-H+Cl"	33.962126
"274132"	325.075002	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+Cl"	34.969402
"673116"	470.127802	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+Cl"	34.969402
"1286613"	180.022202	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Cl"	34.969402
"28075"	327.054206	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M-2H+K"	36.948606
"461438"	472.107006	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M-2H+K"	36.948606
"839969"	182.001406	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-2H+K"	36.948606
"1561271"	182.001406	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+K-2H"	36.948606
"953529"	190.050994	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-H+HCOOH"	44.998194
"369552"	335.103801	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+HCOOH-H"	44.998201
"346880"	349.119451	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+Hac-H"	59.013851
"1495712"	204.066651	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Hac-H"	59.013851
"961070"	212.032951	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-H+NaCOOH"	66.980151
"117272"	180.022202	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+2Cl"	69.938804
"558288"	252.548602	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+2Cl"	69.938804
"1031463"	107.495802	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2Cl"	69.938804
"1254691"	223.971685	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Br"	78.918885
"1316410"	226.027672	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Cl+HCOOH"	80.974872
"1327707"	248.009629	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Cl+NaCOOH"	102.956829
"919861"	258.038386	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M-H+CF3COOH"	112.985586
"1294380"	294.015064	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Cl+CF3COOH"	148.962264
"1369990"	110.040124	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H-2H2O"	-35.012676
"1383845"	128.0501	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H-H2O"	-17.0027
"284624"	291.112876	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+H"	1.007276
"677775"	436.165676	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+H"	1.007276
"1356310"	146.060076	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H"	1.007276
"127743"	146.060076	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+2H"	2.014552
"568033"	218.586476	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+2H"	2.014552
"1048497"	73.533676	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2H"	2.014552
"215304"	97.7091426666667	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+3H"	3.021828
"651583"	146.060076	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+3H"	3.021828
"1169710"	49.3582093333333	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+3H"	3.021828
"428607"	308.139423	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+NH4"	18.033823
"788506"	453.192223	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+NH4"	18.033823
"1681675"	163.086623	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+NH4"	18.033823
"330079"	154.5733495	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+H+NH4"	19.041099
"735027"	227.0997495	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+H+NH4"	19.041099
"1485935"	82.0469495	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H+NH4"	19.041099
"406802"	313.094818	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+Na"	22.989218
"765610"	458.147618	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+Na"	22.989218
"1613709"	168.042018	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Na"	22.989218
"322648"	157.051047	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+H+Na"	23.996494
"720537"	229.577447	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+H+Na"	23.996494
"1471079"	84.524647	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H+Na"	23.996494
"1066152"	56.6855233333333	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2H+Na"	25.00377
"1268193"	178.086286	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+CH3OH+H"	33.033486
"387862"	329.068758	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+K"	38.963158
"751775"	474.121558	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+K"	38.963158
"1552004"	184.015958	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+K"	38.963158
"310274"	165.038017	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+H+K"	39.970434
"703788"	237.564417	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+H+K"	39.970434
"1459795"	92.511617	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H+K"	39.970434
"245119"	332.139426	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+ACN+H"	42.033826
"1211263"	187.086626	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+ACN+H"	42.033826
"1199520"	94.046951	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+ACN+2H"	43.041102
"191662"	335.07676	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+2Na-H"	44.97116
"628665"	480.12956	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+2Na-H"	44.97116
"1131491"	190.02396	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2Na-H"	44.97116
"182036"	168.042018	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+2Na"	45.978436
"619409"	240.568418	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+2Na"	45.978436
"1125105"	95.515618	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2Na"	45.978436
"1413489"	64.0128373333333	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H+2Na"	46.985712
"1444393"	192.065546	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H+HCOOH"	47.012746
"234946"	173.07504	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+3H2O+2H"	56.04448
"1521791"	206.11759	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+IsoProp+H"	61.06479
"422569"	176.028988	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+Na+K"	61.952376
"784294"	248.555388	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+Na+K"	61.952376
"1678799"	103.502588	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Na+K"	61.952376
"264226"	354.121368	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+ACN+Na"	64.015768
"1239487"	209.068568	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+ACN+Na"	64.015768
"1725462"	209.092093	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+NH4+HCOOH"	64.039293
"1190450"	71.3401513333333	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+3Na"	68.967654
"1664346"	214.047488	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Na+HCOOH"	68.994688
"169021"	367.02464	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+2K-H"	76.91904
"604209"	512.07744	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+2K-H"	76.91904
"1092003"	221.97184	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2K-H"	76.91904
"145538"	184.015958	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"2M+2K"	77.926316
"585462"	256.542358	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"3M+2K"	77.926316
"1072895"	111.489558	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2K"	77.926316
"1106106"	223.986392	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2K+H"	78.933592
"1343586"	224.074007	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+DMSO+H"	79.021207
"1011024"	228.113176	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2ACN+H"	83.060376
"1529146"	229.106808	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+IsoProp+Na+H"	84.054008
"994505"	114.560226	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+2ACN+2H"	84.067652
"1591195"	230.021428	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+K+HCOOH"	84.968628
"1419046"	260.052938	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+H+CF3COOH"	115.000138
"1152617"	135.073501	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+3ACN+2H"	125.094202
"1701073"	277.079485	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+NH4+CF3COOH"	132.026685
"1638911"	282.03488	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+Na+CF3COOH"	136.98208
"1572377"	298.00882	"C06343"	"4-Hydroxyquinoline;Quinolin-4-ol"	"C9H7NO"	"145.0528"	"M+K+CF3COOH"	152.95602
"801409"	175.0633	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M"	0
"974297"	156.04491	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"64518"	115.701590666667	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"506264"	174.056024	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"885161"	57.3471573333333	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"3734"	174.056024	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"445483"	261.587674	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"831305"	86.524374	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"94275"	349.119324	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"533413"	524.182624	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"910978"	174.056024	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"58294"	366.145871	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"500044"	541.209171	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"874565"	191.082571	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"46844"	371.101266	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"482028"	546.164566	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"863720"	196.037966	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1633860"	196.037966	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"108688"	192.044363	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"545452"	279.576013	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"934593"	104.512713	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"274240"	385.096002	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"672132"	560.159302	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1280163"	210.032702	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"21625"	387.075206	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"460091"	562.138506	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"836797"	212.011906	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1559194"	212.011906	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"951452"	220.061494	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"369662"	395.124801	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"346383"	409.140451	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1495822"	234.077151	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"961180"	242.043451	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"113370"	210.032702	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"552199"	297.564352	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1031573"	122.501052	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1254071"	253.982185	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1317613"	256.038172	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1330004"	278.020129	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"922887"	288.048886	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1294490"	324.025564	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1370466"	140.050624	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1382896"	158.0606	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"285463"	351.133876	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"677519"	526.197176	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1356420"	176.070576	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"127489"	176.070576	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"568143"	263.602226	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1044232"	88.538926	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"217601"	117.716142666667	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"651693"	176.070576	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1168726"	59.3617093333333	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"430904"	368.160423	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"789710"	543.223723	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1687135"	193.097123	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"336507"	184.5838495	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"722969"	272.1154995	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1486040"	97.0521995	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"406182"	373.115818	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"764627"	548.179118	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1616004"	198.052518	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"322758"	187.061547	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"720647"	274.593197	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1467908"	99.529897	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1064439"	66.6890233333333	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1271219"	208.096786	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"391256"	389.089758	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"751155"	564.153058	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1551750"	214.026458	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"310384"	195.048517	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"703897"	282.580167	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1459906"	107.516867	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"246322"	392.160426	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1212467"	217.097126	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1199630"	109.052201	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"190313"	395.09776	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"628549"	570.16106	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1131747"	220.03446	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"178131"	198.052518	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"619519"	285.584168	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1125215"	110.520868	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1412018"	74.0163373333333	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1444746"	222.076046	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"235539"	203.08554	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1524007"	236.12809	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"423894"	206.039488	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"785420"	293.571138	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1678908"	118.507838	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"265065"	414.142368	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1238139"	239.079068	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1725204"	239.102593	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1192991"	81.3436513333333	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1662999"	244.057988	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"169131"	427.04564	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"607236"	602.10894	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1092113"	251.98234	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"145648"	214.026458	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"585208"	301.558108	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1073005"	126.494808	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1104030"	253.996892	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1340416"	254.084507	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1011134"	258.123676	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1527070"	259.117308	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"994615"	129.565476	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1591305"	260.031928	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1418063"	290.063438	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1149447"	150.078751	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1701183"	307.089985	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1637928"	312.04538	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1572487"	328.01932	"C06344"	"3-Methyl-quinolin-28-diol"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"809413"	159.0684	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M"	0
"979667"	140.05001	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-H2O-H"	-19.01839
"69003"	105.038324	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M-3H"	-3.021828
"506374"	158.061124	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M-3H"	-3.021828
"884179"	52.015524	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-3H"	-3.021828
"6032"	158.061124	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M-2H"	-2.014552
"448874"	237.595324	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M-2H"	-2.014552
"831417"	78.526924	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-2H"	-2.014552
"93971"	317.129524	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M-H"	-1.007276
"533045"	476.197924	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M-H"	-1.007276
"911296"	158.061124	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-H"	-1.007276
"62053"	334.156071	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M-2H+NH4"	16.019271
"500642"	493.224471	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M-2H+NH4"	16.019271
"871396"	175.087671	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-2H+NH4"	16.019271
"45130"	339.111466	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M-2H+Na"	20.974666
"483232"	498.179866	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M-2H+Na"	20.974666
"861765"	180.043066	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-2H+Na"	20.974666
"1632027"	180.043066	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Na-2H"	20.974666
"104909"	176.049463	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M-H+Cl"	33.962126
"548359"	255.583663	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M-H+Cl"	33.962126
"936891"	96.515263	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-H+Cl"	33.962126
"275447"	353.106202	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+Cl"	34.969402
"672242"	512.174602	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+Cl"	34.969402
"1280272"	194.037802	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Cl"	34.969402
"22828"	355.085406	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M-2H+K"	36.948606
"461294"	514.153806	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M-2H+K"	36.948606
"836909"	196.017006	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-2H+K"	36.948606
"1562582"	196.017006	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+K-2H"	36.948606
"949374"	204.066594	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-H+HCOOH"	44.998194
"366493"	363.135001	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+HCOOH-H"	44.998201
"347102"	377.150651	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+Hac-H"	59.013851
"1495202"	218.082251	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Hac-H"	59.013851
"959832"	226.048551	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-H+NaCOOH"	66.980151
"110682"	194.037802	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+2Cl"	69.938804
"550852"	273.572002	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+2Cl"	69.938804
"1027310"	114.503602	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2Cl"	69.938804
"1252724"	237.987285	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Br"	78.918885
"1317359"	240.043272	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Cl+HCOOH"	80.974872
"1330115"	262.025229	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Cl+NaCOOH"	102.956829
"924820"	272.053986	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M-H+CF3COOH"	112.985586
"1293507"	308.030664	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Cl+CF3COOH"	148.962264
"1371670"	124.055724	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H-2H2O"	-35.012676
"1384792"	142.0657	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H-H2O"	-17.0027
"284482"	319.144076	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+H"	1.007276
"680181"	478.212476	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+H"	1.007276
"1356531"	160.075676	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H"	1.007276
"127233"	160.075676	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+2H"	2.014552
"569347"	239.609876	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+2H"	2.014552
"1043249"	80.541476	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2H"	2.014552
"214431"	107.052876	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+3H"	3.021828
"655084"	160.075676	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+3H"	3.021828
"1171022"	54.030076	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+3H"	3.021828
"435388"	336.170623	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+NH4"	18.033823
"792009"	495.239023	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+NH4"	18.033823
"1685423"	177.102223	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+NH4"	18.033823
"332608"	168.5889495	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+H+NH4"	19.041099
"723812"	248.1231495	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+H+NH4"	19.041099
"1489069"	89.0547495	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H+NH4"	19.041099
"407018"	341.126018	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+Na"	22.989218
"766921"	500.194418	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+Na"	22.989218
"1612834"	182.057618	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Na"	22.989218
"327243"	171.066647	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+H+Na"	23.996494
"716387"	250.600847	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+H+Na"	23.996494
"1474587"	91.532447	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H+Na"	23.996494
"1067104"	61.35739	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2H+Na"	25.00377
"1269876"	192.101886	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+CH3OH+H"	33.033486
"389179"	357.099958	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+K"	38.963158
"753458"	516.168358	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+K"	38.963158
"1553686"	198.031558	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+K"	38.963158
"311587"	179.053617	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+H+K"	39.970434
"706194"	258.587817	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+H+K"	39.970434
"1455644"	99.519417	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H+K"	39.970434
"237683"	360.170626	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+ACN+H"	42.033826
"1212212"	201.102226	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+ACN+H"	42.033826
"1195367"	101.054751	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+ACN+2H"	43.041102
"194798"	363.10796	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+2Na-H"	44.97116
"629007"	522.17636	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+2Na-H"	44.97116
"1131416"	204.03956	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2Na-H"	44.97116
"174231"	182.057618	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+2Na"	45.978436
"627904"	261.591818	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+2Na"	45.978436
"1128975"	102.523418	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2Na"	45.978436
"1411404"	68.684704	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H+2Na"	46.985712
"1442791"	206.081146	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H+HCOOH"	47.012746
"232123"	187.09064	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+3H2O+2H"	56.04448
"1521645"	220.13319	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+IsoProp+H"	61.06479
"422423"	190.044588	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+Na+K"	61.952376
"780500"	269.578788	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+Na+K"	61.952376
"1674645"	110.510388	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Na+K"	61.952376
"263351"	382.152568	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+ACN+Na"	64.015768
"1234967"	223.084168	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+ACN+Na"	64.015768
"1722761"	223.107693	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+NH4+HCOOH"	64.039293
"1188113"	76.012018	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+3Na"	68.967654
"1659099"	228.063088	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Na+HCOOH"	68.994688
"165962"	395.05584	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+2K-H"	76.91904
"601514"	554.12424	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+2K-H"	76.91904
"1086023"	235.98744	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2K-H"	76.91904
"144669"	198.031558	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"2M+2K"	77.926316
"588604"	277.565758	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"3M+2K"	77.926316
"1070929"	118.497358	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2K"	77.926316
"1104140"	238.001992	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2K+H"	78.933592
"1337248"	238.089607	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+DMSO+H"	79.021207
"1011243"	242.128776	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2ACN+H"	83.060376
"1527180"	243.122408	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+IsoProp+Na+H"	84.054008
"1002384"	121.568026	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+2ACN+2H"	84.067652
"1596886"	244.037028	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+K+HCOOH"	84.968628
"1422546"	274.068538	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+H+CF3COOH"	115.000138
"1149559"	142.081301	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+3ACN+2H"	125.094202
"1703483"	291.095085	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+NH4+CF3COOH"	132.026685
"1641320"	296.05048	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+Na+CF3COOH"	136.98208
"1579159"	312.02442	"C06345"	"3-Methyl-quinolin-2-ol"	"C10H9NO"	"159.0684"	"M+K+CF3COOH"	152.95602
"802351"	271.1208	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M"	0
"977588"	252.10241	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"65830"	179.739924	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"503932"	270.113524	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"887569"	89.366324	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"6142"	270.113524	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"442422"	405.673924	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"831652"	134.553124	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"94040"	541.234324	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"533844"	812.355124	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"910589"	270.113524	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"61681"	558.260871	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"501732"	829.381671	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"878067"	287.140071	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"45732"	563.216266	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"482249"	834.337066	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"863211"	292.095466	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1633518"	292.095466	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"107206"	288.101863	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"545673"	423.662263	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"937001"	152.541463	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"275557"	577.211002	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"671259"	848.331802	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1280382"	306.090202	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"19293"	579.190206	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"459219"	850.311006	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"837019"	308.069406	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1562693"	308.069406	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"950576"	316.118994	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"366602"	587.239801	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"347575"	601.255451	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1495676"	330.134651	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"963586"	338.100951	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"111766"	306.090202	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"551689"	441.650602	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1022315"	170.529802	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1254655"	350.039685	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1318563"	352.095672	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1330225"	374.077629	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"919096"	384.106386	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1290337"	420.083064	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1367770"	236.108124	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1383809"	254.1181	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"286778"	543.248876	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"679198"	814.369676	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1356640"	272.128076	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"128436"	272.128076	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"567269"	407.688476	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1043359"	136.567676	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"214541"	181.754476	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"649726"	272.128076	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1171132"	91.380876	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"432218"	560.275423	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"792119"	831.396223	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1684439"	289.154623	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"333083"	280.6413495	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"724411"	416.2017495	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1491365"	145.0809495	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"406764"	565.230818	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"767031"	836.351618	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1614039"	294.110018	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"328332"	283.119047	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"714310"	418.679447	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1473968"	147.558647	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1065757"	98.70819	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1268525"	304.154286	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"387468"	581.204758	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"752108"	852.325558	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1551972"	310.083958	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"313522"	291.106017	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"705213"	426.666417	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1455753"	155.545617	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"239252"	584.275426	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1213781"	313.154626	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1194746"	157.080951	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"191627"	587.21276	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"629726"	858.33356	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1131690"	316.09196	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"173118"	294.110018	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"625577"	429.670418	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1129815"	158.549618	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1413583"	106.035504	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1443264"	318.133546	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"234665"	299.14304	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1523092"	332.18559	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"422531"	302.096988	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"782432"	437.657388	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1678763"	166.536588	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"260181"	606.257368	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1236899"	335.136568	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1724694"	335.160093	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1187131"	113.362818	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1659209"	340.115488	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"162792"	619.16064	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"607457"	890.28144	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1086135"	348.03984	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"144779"	310.083958	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"588714"	445.644358	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1073226"	174.523558	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1110811"	350.054392	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1337358"	350.142007	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1014633"	354.181176	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1531664"	355.174808	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"1004681"	177.594226	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1594809"	356.089428	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1422656"	386.120938	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1149669"	198.107501	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1706873"	403.147485	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1641430"	408.10288	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1579269"	424.07682	"C06346"	"(RS)-Norcoclaurine;Norcoclaurine;67-Dihydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Higenamine"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"803072"	271.1208	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M"	0
"977698"	252.10241	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"62975"	179.739924	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"503188"	270.113524	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"887679"	89.366324	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"4065"	270.113524	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"442896"	405.673924	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"832408"	134.553124	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"93580"	541.234324	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"533675"	812.355124	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"910699"	270.113524	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"62273"	558.260871	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"502327"	829.381671	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"878056"	287.140071	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"46570"	563.216266	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"482359"	834.337066	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"863568"	292.095466	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1633870"	292.095466	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"102942"	288.101863	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"543596"	423.662263	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"934925"	152.541463	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"277853"	577.211002	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"664808"	848.331802	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1280492"	306.090202	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"20859"	579.190206	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"461513"	850.311006	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"839316"	308.069406	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1562803"	308.069406	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"950685"	316.118994	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"368899"	587.239801	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"348048"	601.255451	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1495786"	330.134651	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"963697"	338.100951	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"110536"	306.090202	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"551432"	441.650602	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1021937"	170.529802	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1250392"	350.039685	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1316851"	352.095672	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1324868"	374.077629	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"917020"	384.106386	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1289109"	420.083064	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1367174"	236.108124	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1382795"	254.1181	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"283606"	543.248876	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"677121"	814.369676	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1355658"	272.128076	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"129639"	272.128076	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"566407"	407.688476	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1043469"	136.567676	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"212464"	181.754476	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"649836"	272.128076	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1171242"	91.380876	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"433421"	560.275423	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"787855"	831.396223	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1681752"	289.154623	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"330398"	280.6413495	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"723060"	416.2017495	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1491475"	145.0809495	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"407238"	565.230818	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"767141"	836.351618	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1614150"	294.110018	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"328683"	283.119047	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"721588"	418.679447	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1475173"	147.558647	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1065868"	98.70819	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1267542"	304.154286	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"389765"	581.204758	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"752217"	852.325558	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1553175"	310.083958	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"313267"	291.106017	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"705323"	426.666417	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1458049"	155.545617	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"238998"	584.275426	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1213528"	313.154626	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1196680"	157.080951	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"190644"	587.21276	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"629840"	858.33356	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1132980"	316.09196	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"174325"	294.110018	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"627395"	429.670418	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1129924"	158.549618	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1412967"	106.035504	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1444106"	318.133546	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"234779"	299.14304	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1522592"	332.18559	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"419726"	302.096988	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"779626"	437.657388	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1679481"	166.536588	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"262480"	606.257368	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1235187"	335.136568	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1724440"	335.160093	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1187972"	113.362818	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1658229"	340.115488	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"165090"	619.16064	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"607567"	890.28144	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1089162"	348.03984	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"141563"	310.083958	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"586637"	445.644358	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1073336"	174.523558	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1104360"	350.054392	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1340748"	350.142007	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1014743"	354.181176	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1531774"	355.174808	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"1003699"	177.594226	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1600022"	356.089428	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1424953"	386.120938	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1153059"	198.107501	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1706983"	403.147485	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1644820"	408.10288	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1579379"	424.07682	"C06347"	"(R)-Norcoclaurine;67-Dihydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;()-Demethylcoclaurine"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"802088"	285.1365	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M"	0
"977808"	266.11811	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"63252"	189.083724	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"516182"	284.129224	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"887789"	94.038224	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"4175"	284.129224	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"443735"	426.697474	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"829193"	141.560974	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"93323"	569.265724	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"533002"	854.402224	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"910931"	284.129224	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"59829"	586.292271	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"501215"	871.428771	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"875005"	301.155771	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"45581"	591.247666	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"481376"	876.384166	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"864139"	306.111166	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1631991"	306.111166	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"105239"	302.117563	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"542613"	444.685813	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"937222"	159.549313	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"280150"	605.242402	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"668198"	890.378902	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1282788"	320.105902	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"19876"	607.221606	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"460530"	892.358106	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"839426"	322.085106	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1562913"	322.085106	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"950795"	330.134694	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"367915"	615.271201	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"347793"	629.286851	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1494804"	344.150351	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"960649"	352.116651	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"111254"	320.105902	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"551663"	462.674152	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1021804"	177.537652	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1250501"	364.055385	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1316232"	366.111372	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1324978"	388.093329	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"917130"	398.122086	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1289176"	434.098764	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1367624"	250.123824	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1383296"	268.1338	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"283837"	571.280276	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"676501"	856.416776	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1354674"	286.143776	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"129749"	286.143776	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"567489"	428.712026	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1040661"	143.575526	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"211480"	191.098276	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"651040"	286.143776	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1165520"	96.052776	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"426970"	588.306823	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"785651"	873.443323	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1681538"	303.170323	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"330588"	294.6570495	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"723292"	437.2252995	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1488306"	152.0887995	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"404069"	593.262218	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"763972"	878.398718	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1613167"	308.125718	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"324297"	297.134747	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"721698"	439.702997	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1474552"	154.566497	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1067436"	103.38009	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1271665"	318.169986	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"392063"	609.236158	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"753421"	894.372658	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1555462"	324.099658	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"314068"	305.121717	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"705433"	447.689967	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1458159"	162.553467	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"240201"	612.306826	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1215096"	327.170326	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1196183"	164.088801	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"189779"	615.24416	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"629703"	900.38066	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1133576"	330.10766	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"173948"	308.125718	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"627136"	450.693968	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1128939"	165.557468	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1412711"	110.707404	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1444701"	332.149246	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"232085"	313.15874	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1523309"	346.20129	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"422024"	316.112688	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"783017"	458.680938	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1676067"	173.544438	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"264410"	634.288768	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1236391"	349.152268	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1726373"	349.175793	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1188445"	118.034718	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1659432"	354.131188	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"164836"	647.19204	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"599413"	932.32854	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1089272"	362.05554	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"142324"	324.099658	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"586747"	466.667908	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1075633"	181.531408	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1104470"	364.070092	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1337578"	364.157707	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1008293"	368.196876	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1527510"	369.190508	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"1002714"	184.602076	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1599403"	370.105128	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1421783"	400.136638	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1153169"	205.115351	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1707093"	417.163185	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1641650"	422.11858	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1579489"	438.09252	"C06348"	"(RS)-Coclaurine;dl-Coclaurine;6-Methoxy-7-hydroxy-1-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;Machiline"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"815322"	285.1365	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M"	0
"980108"	266.11811	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"66527"	189.083724	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"506817"	284.129224	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"882430"	94.038224	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"8661"	284.129224	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"449314"	426.697474	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"827116"	141.560974	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"89293"	569.265724	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"526669"	854.402224	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"909574"	284.129224	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"62251"	586.292271	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"500593"	871.428771	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"874022"	301.155771	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"46259"	591.247666	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"486836"	876.384166	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"864167"	306.111166	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1633806"	306.111166	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"109119"	302.117563	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"549164"	444.685813	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"936240"	159.549313	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"274794"	605.242402	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"668309"	890.378902	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1275246"	320.105902	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"19259"	607.221606	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"458450"	892.358106	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"834797"	322.085106	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1559744"	322.085106	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"944710"	330.134694	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"363653"	615.271201	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"346810"	629.286851	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1493457"	344.150351	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"959906"	352.116651	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"111606"	320.105902	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"555670"	462.674152	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1027750"	177.537652	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1251704"	364.055385	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1308688"	366.111372	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1333109"	388.093329	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"917242"	398.122086	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1295044"	434.098764	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1369559"	250.123824	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1387419"	268.1338	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"286380"	571.280276	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"687187"	856.416776	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1354786"	286.143776	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"128402"	286.143776	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"568693"	428.712026	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1041505"	143.575526	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"207581"	191.098276	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"647139"	286.143776	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1166358"	96.052776	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"428537"	588.306823	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"787347"	873.443323	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1681303"	303.170323	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"331224"	294.6570495	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"723116"	437.2252995	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1489873"	152.0887995	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"407099"	593.262218	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"768824"	878.398718	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1615099"	308.125718	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"325498"	297.134747	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"721930"	439.702997	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1467366"	154.566497	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1061702"	103.38009	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1272303"	318.169986	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"391809"	609.236158	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"753571"	894.372658	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1555498"	324.099658	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"314244"	305.121717	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"703356"	447.689967	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1457905"	162.553467	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"241404"	612.306826	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1215206"	327.170326	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1196536"	164.088801	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"190133"	615.24416	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"629126"	900.38066	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1132226"	330.10766	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"174667"	308.125718	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"628343"	450.693968	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1129782"	165.557468	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1413913"	110.707404	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1444689"	332.149246	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"232197"	313.15874	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1522085"	346.20129	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"417761"	316.112688	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"779850"	458.680938	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1675086"	173.544438	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"262698"	634.288768	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1238689"	349.152268	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1726483"	349.175793	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1190379"	118.034718	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1657356"	354.131188	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"167496"	647.19204	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"601590"	932.32854	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1094852"	362.05554	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"144015"	324.099658	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"583577"	466.667908	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1073556"	181.531408	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1110050"	364.070092	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1343156"	364.157707	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1013872"	368.196876	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1534186"	369.190508	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"1001731"	184.602076	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1597326"	370.105128	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1425175"	400.136638	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1155464"	205.115351	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1706107"	417.163185	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1641760"	422.11858	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1579599"	438.09252	"C06349"	"(R)-Coclaurine;6-Methoxy-7-hydroxy-(1R)-(4-hydroxyphenyl)methyl-1234-tetrahydroisoquinoline;(R)-1234-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-7-isoquinolinol"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"801371"	287.1158	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M"	0
"976936"	268.09741	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"66273"	190.403257333333	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"506927"	286.108524	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"882540"	94.6979906666667	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"5491"	286.108524	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"451611"	429.666424	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"829413"	142.550624	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"80656"	573.224324	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"527873"	860.340124	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"909442"	286.108524	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"60050"	590.250871	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"497423"	877.366671	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"874132"	303.135071	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"40939"	595.206266	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"484512"	882.322066	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"863863"	308.090466	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1632580"	308.090466	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"107651"	304.096863	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"546115"	447.654763	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"936350"	160.538963	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"272718"	609.201002	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"665139"	896.316802	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1274626"	322.085202	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"17182"	611.180206	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"459655"	898.296006	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"834907"	324.064406	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1559854"	324.064406	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"944453"	332.113994	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"361699"	619.229801	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"347651"	633.245451	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1495390"	346.129651	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"960380"	354.095951	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"111840"	322.085202	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"555780"	465.643102	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1026767"	178.527302	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1251814"	366.034685	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1312078"	368.090672	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1333219"	390.072629	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"917352"	400.101386	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1292967"	436.078064	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1370034"	252.103124	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1385342"	270.1131	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"288308"	575.238876	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"677454"	862.354676	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1353802"	288.123076	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"126688"	288.123076	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"568072"	431.680976	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1041615"	144.565176	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"207690"	192.417809333333	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"647615"	288.123076	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1164646"	96.7125426666667	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"426096"	592.265423	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"786109"	879.381223	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1681374"	305.149623	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"330603"	296.6363495	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"722900"	440.1942495	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1490712"	153.0784495	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"406845"	597.220818	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"767841"	884.336618	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1614116"	310.105018	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"325608"	299.114047	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"719126"	442.671947	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1468569"	155.556147	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1062905"	104.039856666667	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1271522"	320.149286	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"391190"	613.194758	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"752547"	900.310558	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1555291"	326.078958	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"313883"	307.101017	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"703465"	450.658917	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1460203"	163.543117	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"242607"	616.265426	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1215315"	329.149626	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1197011"	165.078451	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"189152"	619.20276	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"629439"	906.31856	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1132215"	332.08696	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"174414"	310.105018	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"628410"	453.662918	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1130253"	166.547118	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1413409"	111.367170666667	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1439327"	334.128546	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"232306"	315.13804	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1522560"	348.18059	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"418964"	318.091988	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"781053"	461.649888	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1678112"	174.534088	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"261351"	638.247368	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1238434"	351.131568	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1725863"	351.155093	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1191218"	118.694484666667	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1660380"	356.110488	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"164326"	651.15064	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"601700"	938.26644	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1089495"	364.03484	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"143032"	326.078958	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"582710"	469.636858	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1071479"	182.521058	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1106880"	366.049392	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1343266"	366.137007	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1013982"	370.176176	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1534296"	371.169808	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"1002934"	185.591726	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1595249"	372.084428	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1425285"	402.115938	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1155574"	206.105001	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1704030"	419.142485	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1641870"	424.09788	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1579709"	440.07182	"C06350"	"Tetrahydropapaveroline;(RS)-Norlaudanosoline;Norlaudanosoline"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"801408"	287.1158	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M"	0
"978139"	268.09741	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"66383"	190.403257333333	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"507037"	286.108524	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"882650"	94.6979906666667	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"5601"	286.108524	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"452814"	429.666424	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"827336"	142.550624	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"82952"	573.224324	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"527983"	860.340124	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"909674"	286.108524	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"57973"	590.250871	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"499599"	877.366671	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"877159"	303.135071	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"44329"	595.206266	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"483892"	882.322066	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"857320"	308.090466	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1625761"	308.090466	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"99009"	304.096863	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"539664"	447.654763	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"937553"	160.538963	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"270642"	609.201002	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"667435"	896.316802	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1277653"	322.085202	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"19843"	611.180206	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"461954"	898.296006	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"835747"	324.064406	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1561058"	324.064406	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"946755"	332.113994	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"364601"	619.229801	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"348849"	633.245451	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1496225"	346.129651	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"965228"	354.095951	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"112316"	322.085202	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"551874"	465.643102	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1022864"	178.527302	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1251924"	366.034685	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1305628"	368.090672	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1327497"	390.072629	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"913452"	400.101386	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1291984"	436.078064	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1371237"	252.103124	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1385452"	270.1131	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"286231"	575.238876	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"679750"	862.354676	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1352818"	288.123076	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"126434"	288.123076	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"567818"	431.680976	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1039534"	144.565176	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"207800"	192.417809333333	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"646629"	288.123076	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1167308"	96.7125426666667	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"427664"	592.265423	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"787560"	879.381223	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1683165"	305.149623	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"331805"	296.6363495	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"723861"	440.1942495	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1490824"	153.0784495	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"407804"	597.220818	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"767222"	884.336618	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1614226"	310.105018	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"326811"	299.114047	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"721057"	442.671947	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1470865"	155.556147	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1058642"	104.039856666667	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1271876"	320.149286	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"390934"	613.194758	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"752171"	900.310558	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1555416"	326.078958	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"313589"	307.101017	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"705399"	450.658917	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1459584"	163.543117	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"245997"	616.265426	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1219799"	329.149626	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1197121"	165.078451	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"192180"	619.20276	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"631377"	906.31856	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1133423"	332.08696	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"175621"	310.105018	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"627223"	453.662918	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1128542"	166.547118	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1410242"	111.367170666667	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1439437"	334.128546	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"230596"	315.13804	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1521577"	348.18059	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"419074"	318.091988	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"780070"	461.649888	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1678222"	174.534088	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"262555"	638.247368	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1239276"	351.131568	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1725975"	351.155093	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1192060"	118.694484666667	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1660493"	356.110488	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"167355"	651.15064	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"603998"	938.26644	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1091791"	364.03484	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"148973"	326.078958	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"587438"	469.636858	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1070008"	182.521058	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1106988"	366.049392	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1345563"	366.137007	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1008989"	370.176176	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1534406"	371.169808	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"1003044"	185.591726	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1592079"	372.084428	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1425395"	402.115938	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1155684"	206.105001	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1704140"	419.142485	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1641980"	424.09788	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1579819"	440.07182	"C06351"	"(R)-Norlaudanosoline;(R)-Tetrahydropapaveroline"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"802163"	194.079	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M"	0
"974969"	175.06061	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"69773"	128.378724	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"507147"	193.071724	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"881667"	63.685724	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"8991"	193.071724	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"452924"	290.111224	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"829633"	96.032224	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"87437"	387.150724	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"529187"	581.229724	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"909177"	193.071724	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"62224"	404.177271	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"501049"	598.256271	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"878243"	210.098271	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"44318"	409.132666	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"484002"	603.211666	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"859618"	215.053666	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1626964"	215.053666	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"99119"	211.060063	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"539774"	308.099563	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"937663"	114.020563	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"274034"	423.127402	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"662807"	617.206402	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1274116"	229.048402	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"17887"	425.106606	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"459878"	619.185606	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"839868"	231.027606	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1560075"	231.027606	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"945772"	239.077194	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"362164"	433.156201	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"346533"	447.171851	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1496704"	253.092851	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"959875"	261.059151	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"114246"	229.048402	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"551621"	326.087902	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1022245"	132.008902	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1250941"	272.997885	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1310111"	275.053872	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1325420"	297.035829	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"914292"	307.064586	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1292094"	343.041264	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1369888"	159.066324	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1385562"	177.0763	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"284516"	389.165276	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"679860"	583.244276	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1352926"	195.086276	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"126542"	195.086276	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"567197"	292.125776	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1039276"	98.046776	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"206451"	130.393276	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"645520"	195.086276	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1164499"	65.700276	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"427044"	406.191823	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"787063"	600.270823	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1682057"	212.112823	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"330579"	203.5995495	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"723241"	300.6390495	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1491662"	106.5600495	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"405968"	411.147218	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"768421"	605.226218	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1610322"	217.068218	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"326921"	206.077247	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"717154"	303.116747	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1472068"	109.037747	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1058752"	73.02759	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1271865"	227.112486	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"392381"	427.121158	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"752402"	621.200158	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1554578"	233.042158	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"312970"	214.064217	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"704781"	311.103717	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1456412"	117.024717	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"246837"	430.191826	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1221002"	236.112826	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1197229"	118.560051	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"191197"	433.12916	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"631852"	627.20816	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1135357"	239.05016	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"177554"	217.068218	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"626604"	314.107718	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1129382"	120.028718	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1409259"	80.354904	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1440640"	241.091746	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"229613"	222.10124	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1523509"	255.14379	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"419550"	225.055188	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"780182"	322.094688	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1676876"	128.015688	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"263028"	452.173768	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1236468"	258.094768	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1723167"	258.118293	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1193022"	87.682218	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1660238"	263.073688	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"167828"	465.07704	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"606294"	659.15604	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1092266"	270.99804	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"149446"	233.042158	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"586089"	330.081658	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1071699"	136.002658	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1108191"	273.012592	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1347860"	273.100207	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1009829"	277.139376	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1534516"	278.133008	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"1004493"	139.073326	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1591096"	279.047628	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1428785"	309.079138	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1151421"	159.586601	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1712274"	326.105685	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1643183"	331.06108	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1579929"	347.03502	"C06352"	"4-O-Methyl-myo-inositol;1D-4-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"810293"	194.079	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M"	0
"976536"	175.06061	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"64778"	128.378724	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"511630"	193.071724	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"886151"	63.685724	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"6914"	193.071724	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"449755"	290.111224	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"832709"	96.032224	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"93278"	387.150724	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"533448"	581.229724	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"910388"	193.071724	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"61857"	404.177271	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"501904"	598.256271	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"878724"	210.098271	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"46586"	409.132666	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"486468"	603.211666	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"863990"	215.053666	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1631813"	215.053666	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"106520"	211.060063	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"542071"	308.099563	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"938866"	114.020563	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"274144"	423.127402	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"667657"	617.206402	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1274959"	229.048402	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"21524"	425.106606	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"459623"	619.185606	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"845446"	231.027606	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1563467"	231.027606	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"949163"	239.077194	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"362639"	433.156201	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"347251"	447.171851	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1496815"	253.092851	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"959618"	261.059151	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"111560"	229.048402	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"552095"	326.087902	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1022722"	132.008902	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1248863"	272.997885	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1312406"	275.053872	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1324435"	297.035829	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"913304"	307.064586	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1291107"	343.041264	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1367810"	159.066324	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1383483"	177.0763	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"284019"	389.165276	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"678877"	583.244276	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1353764"	195.086276	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"127380"	195.086276	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"566577"	292.125776	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1039022"	98.046776	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"206923"	130.393276	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"644414"	195.086276	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1164244"	65.700276	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"426788"	406.191823	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"787782"	600.270823	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1683750"	212.112823	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"332028"	203.5995495	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"725178"	300.6390495	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1477103"	106.5600495	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"394767"	411.147218	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"754665"	605.226218	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1604229"	217.068218	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"318276"	206.077247	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"710698"	303.116747	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1464517"	109.037747	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1054483"	73.02759	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1261632"	227.112486	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"389324"	427.121158	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"753851"	621.200158	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1550916"	233.042158	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"309183"	214.064217	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"697230"	311.103717	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1451051"	117.024717	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"248403"	430.191826	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1221112"	236.112826	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1202808"	118.560051	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"193494"	433.12916	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"630861"	627.20816	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1134732"	239.05016	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"176565"	217.068218	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"625986"	314.107718	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1129492"	120.028718	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1409368"	80.354904	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1441117"	241.091746	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"234828"	222.10124	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1523262"	255.14379	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"422947"	225.055188	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"783944"	322.094688	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1680269"	128.015688	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"264965"	452.173768	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1239863"	258.094768	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1727293"	258.118293	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1193254"	87.682218	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1664360"	263.073688	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"167940"	465.07704	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"609687"	659.15604	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1096021"	270.99804	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"152473"	233.042158	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"594585"	330.081658	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1076184"	136.002658	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1103927"	273.012592	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1347972"	273.100207	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1015407"	277.139376	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1531343"	278.133008	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"1003263"	139.073326	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1591206"	279.047628	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1428895"	309.079138	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1160279"	159.586601	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1710923"	326.105685	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1643293"	331.06108	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1583319"	347.03502	"C06353"	"6-O-Methyl-myo-inositol;1D-6-O-Methyl-myo-inositol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"801776"	182.0732	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M"	0
"975189"	163.05481	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-H2O-H"	-19.01839
"62866"	120.374857333333	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M-3H"	-3.021828
"503470"	181.065924	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M-3H"	-3.021828
"880154"	59.6837906666667	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-3H"	-3.021828
"3744"	181.065924	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M-2H"	-2.014552
"445492"	272.102524	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M-2H"	-2.014552
"824386"	90.029324	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-2H"	-2.014552
"93701"	363.139124	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M-H"	-1.007276
"534242"	545.212324	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M-H"	-1.007276
"911224"	181.065924	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-H"	-1.007276
"62615"	380.165671	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M-2H+NH4"	16.019271
"502619"	562.238871	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M-2H+NH4"	16.019271
"879316"	198.092471	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-2H+NH4"	16.019271
"46732"	385.121066	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M-2H+Na"	20.974666
"486698"	567.194266	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M-2H+Na"	20.974666
"864160"	203.047866	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-2H+Na"	20.974666
"1630465"	203.047866	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Na-2H"	20.974666
"105901"	199.054263	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M-H+Cl"	33.962126
"539995"	290.090863	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M-H+Cl"	33.962126
"937881"	108.017663	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-H+Cl"	33.962126
"272066"	399.115802	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+Cl"	34.969402
"662299"	581.189002	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+Cl"	34.969402
"1275069"	217.042602	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Cl"	34.969402
"21634"	401.095006	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M-2H+K"	36.948606
"465567"	583.168206	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M-2H+K"	36.948606
"843369"	219.021806	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-2H+K"	36.948606
"1561391"	219.021806	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+K-2H"	36.948606
"947086"	227.071394	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-H+HCOOH"	44.998194
"362385"	409.144601	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+HCOOH-H"	44.998201
"346995"	423.160251	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+Hac-H"	59.013851
"1496925"	241.087051	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Hac-H"	59.013851
"959607"	249.053351	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-H+NaCOOH"	66.980151
"110821"	217.042602	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+2Cl"	69.938804
"551476"	308.079202	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+2Cl"	69.938804
"1022832"	126.006002	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2Cl"	69.938804
"1248973"	260.992085	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Br"	78.918885
"1310329"	263.048072	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Cl+HCOOH"	80.974872
"1324545"	285.030029	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Cl+NaCOOH"	102.956829
"913050"	295.058786	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M-H+CF3COOH"	112.985586
"1292310"	331.035464	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Cl+CF3COOH"	148.962264
"1367920"	147.060524	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H-2H2O"	-35.012676
"1383958"	165.0705	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H-H2O"	-17.0027
"283644"	365.153676	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+H"	1.007276
"677163"	547.226876	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+H"	1.007276
"1353144"	183.080476	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H"	1.007276
"127492"	183.080476	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+2H"	2.014552
"567051"	274.117076	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+2H"	2.014552
"1039131"	92.043876	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2H"	2.014552
"207030"	122.389409333333	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+3H"	3.021828
"645861"	183.080476	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+3H"	3.021828
"1164718"	61.6983426666667	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+3H"	3.021828
"427261"	382.180223	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+NH4"	18.033823
"786434"	564.253423	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+NH4"	18.033823
"1683860"	200.107023	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+NH4"	18.033823
"331772"	191.5937495	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+H+NH4"	19.041099
"723341"	282.6303495	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+H+NH4"	19.041099
"1477407"	100.5571495	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H+NH4"	19.041099
"393084"	387.135618	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+Na"	22.989218
"755140"	569.208818	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+Na"	22.989218
"1604700"	205.062418	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Na"	22.989218
"318386"	194.071447	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+H+Na"	23.996494
"709715"	285.108047	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+H+Na"	23.996494
"1464627"	103.034847	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H+Na"	23.996494
"1053621"	69.0256566666667	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2H+Na"	25.00377
"1260649"	215.106686	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+CH3OH+H"	33.033486
"390162"	403.109558	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+K"	38.963158
"753713"	585.182758	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+K"	38.963158
"1552119"	221.036358	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+K"	38.963158
"311479"	202.058417	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+H+K"	39.970434
"700619"	293.095017	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+H+K"	39.970434
"1452252"	111.021817	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H+K"	39.970434
"249485"	406.180226	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+ACN+H"	42.033826
"1222315"	224.107026	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+ACN+H"	42.033826
"1204011"	112.557151	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+ACN+2H"	43.041102
"200162"	409.11756	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+2Na-H"	44.97116
"632064"	591.19076	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+2Na-H"	44.97116
"1136668"	227.04436	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2Na-H"	44.97116
"177406"	205.062418	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+2Na"	45.978436
"626823"	296.099018	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+2Na"	45.978436
"1129236"	114.025818	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2Na"	45.978436
"1410570"	76.3529706666667	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H+2Na"	46.985712
"1440860"	229.085946	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H+HCOOH"	47.012746
"231651"	210.09544	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+3H2O+2H"	56.04448
"1522643"	243.13799	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+IsoProp+H"	61.06479
"422691"	213.049388	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+Na+K"	61.952376
"783690"	304.085988	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+Na+K"	61.952376
"1678557"	122.012788	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Na+K"	61.952376
"265438"	428.162168	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+ACN+Na"	64.015768
"1237782"	246.088968	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+ACN+Na"	64.015768
"1726914"	246.112493	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+NH4+HCOOH"	64.039293
"1192754"	83.6802846666667	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+3Na"	68.967654
"1663738"	251.067888	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Na+HCOOH"	68.994688
"166954"	441.06544	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+2K-H"	76.91904
"606514"	623.13864	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+2K-H"	76.91904
"1095765"	258.99224	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2K-H"	76.91904
"154404"	221.036358	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"2M+2K"	77.926316
"591775"	312.072958	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"3M+2K"	77.926316
"1076294"	129.999758	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2K"	77.926316
"1106224"	261.006792	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2K+H"	78.933592
"1348082"	261.094407	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+DMSO+H"	79.021207
"1015517"	265.133576	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2ACN+H"	83.060376
"1531453"	266.127208	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+IsoProp+Na+H"	84.054008
"1002280"	133.070426	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+2ACN+2H"	84.067652
"1591316"	267.041828	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+K+HCOOH"	84.968628
"1429005"	297.073338	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+H+CF3COOH"	115.000138
"1160389"	153.583701	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+3ACN+2H"	125.094202
"1711033"	314.099885	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+NH4+CF3COOH"	132.026685
"1643403"	319.05528	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+Na+CF3COOH"	136.98208
"1583429"	335.02922	"C06354"	"Benzophenone;Diphenyl ketone"	"C13H10O"	"182.0732"	"M+K+CF3COOH"	152.95602
"803952"	246.0528	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M"	0
"978579"	227.03441	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-H2O-H"	-19.01839
"63540"	163.027924	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M-3H"	-3.021828
"504192"	245.045524	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M-3H"	-3.021828
"880902"	81.010324	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-3H"	-3.021828
"6040"	245.045524	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M-2H"	-2.014552
"445602"	368.071924	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M-2H"	-2.014552
"824496"	122.019124	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-2H"	-2.014552
"93488"	491.098324	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M-H"	-1.007276
"532438"	737.151124	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M-H"	-1.007276
"911175"	245.045524	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-H"	-1.007276
"61342"	508.124871	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M-2H+NH4"	16.019271
"501998"	754.177671	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M-2H+NH4"	16.019271
"879722"	262.072071	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-2H+NH4"	16.019271
"45628"	513.080266	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M-2H+Na"	20.974666
"485796"	759.133066	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M-2H+Na"	20.974666
"863112"	267.027466	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-2H+Na"	20.974666
"1629847"	267.027466	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Na-2H"	20.974666
"106376"	263.033863	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M-H+Cl"	33.962126
"546300"	386.060263	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M-H+Cl"	33.962126
"939084"	140.007463	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-H+Cl"	33.962126
"272176"	527.075002	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+Cl"	34.969402
"663503"	773.127802	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+Cl"	34.969402
"1275907"	281.022202	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Cl"	34.969402
"21745"	529.054206	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M-2H+K"	36.948606
"460210"	775.107006	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M-2H+K"	36.948606
"840199"	283.001406	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-2H+K"	36.948606
"1561501"	283.001406	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+K-2H"	36.948606
"945010"	291.050994	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-H+HCOOH"	44.998194
"362495"	537.103801	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+HCOOH-H"	44.998201
"346621"	551.119451	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+Hac-H"	59.013851
"1494484"	305.066651	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Hac-H"	59.013851
"960205"	313.032951	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-H+NaCOOH"	66.980151
"111662"	281.022202	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+2Cl"	69.938804
"550167"	404.048602	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+2Cl"	69.938804
"1024035"	157.995802	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2Cl"	69.938804
"1250176"	324.971685	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Br"	78.918885
"1308252"	327.027672	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Cl+HCOOH"	80.974872
"1323561"	349.009629	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Cl+NaCOOH"	102.956829
"915712"	359.038386	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M-H+CF3COOH"	112.985586
"1289504"	395.015064	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Cl+CF3COOH"	148.962264
"1368030"	211.040124	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H-2H2O"	-35.012676
"1383701"	229.0501	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H-H2O"	-17.0027
"283142"	493.112876	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+H"	1.007276
"676545"	739.165676	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+H"	1.007276
"1352161"	247.060076	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H"	1.007276
"126873"	247.060076	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+2H"	2.014552
"566432"	370.086476	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+2H"	2.014552
"1039239"	124.033676	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2H"	2.014552
"206774"	165.042476	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+3H"	3.021828
"646336"	247.060076	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+3H"	3.021828
"1164464"	83.024876	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+3H"	3.021828
"426278"	510.139423	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+NH4"	18.033823
"787032"	756.192223	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+NH4"	18.033823
"1683969"	264.086623	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+NH4"	18.033823
"332614"	255.5733495	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+H+NH4"	19.041099
"724304"	378.5997495	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+H+NH4"	19.041099
"1479218"	132.5469495	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H+NH4"	19.041099
"393319"	515.094818	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+Na"	22.989218
"755246"	761.147618	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+Na"	22.989218
"1603719"	269.042018	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Na"	22.989218
"315939"	258.051047	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+H+Na"	23.996494
"709823"	381.077447	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+H+Na"	23.996494
"1462785"	135.024647	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H+Na"	23.996494
"1054703"	90.35219	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2H+Na"	25.00377
"1262945"	279.086286	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+CH3OH+H"	33.033486
"388085"	531.068758	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+K"	38.963158
"753094"	777.121558	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+K"	38.963158
"1553322"	285.015958	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+K"	38.963158
"309402"	266.038017	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+H+K"	39.970434
"700730"	389.064417	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+H+K"	39.970434
"1454552"	143.011617	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H+K"	39.970434
"249231"	534.139426	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+ACN+H"	42.033826
"1221331"	288.086626	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+ACN+H"	42.033826
"1203027"	144.546951	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+ACN+2H"	43.041102
"200272"	537.07676	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+2Na-H"	44.97116
"639834"	783.12956	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+2Na-H"	44.97116
"1135319"	291.02396	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2Na-H"	44.97116
"177150"	269.042018	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+2Na"	45.978436
"625841"	392.068418	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+2Na"	45.978436
"1128985"	146.015618	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2Na"	45.978436
"1408492"	97.679504	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H+2Na"	46.985712
"1436597"	293.065546	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H+HCOOH"	47.012746
"230668"	274.07504	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+3H2O+2H"	56.04448
"1522386"	307.11759	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+IsoProp+H"	61.06479
"421707"	277.028988	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+Na+K"	61.952376
"784163"	400.055388	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+Na+K"	61.952376
"1677572"	154.002588	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Na+K"	61.952376
"263725"	556.121368	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+ACN+Na"	64.015768
"1239716"	310.068568	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+ACN+Na"	64.015768
"1726418"	310.092093	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+NH4+HCOOH"	64.039293
"1193107"	105.006818	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+3Na"	68.967654
"1660931"	315.047488	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Na+HCOOH"	68.994688
"169251"	569.02464	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+2K-H"	76.91904
"606624"	815.07744	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+2K-H"	76.91904
"1096605"	322.97184	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2K-H"	76.91904
"153056"	285.015958	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"2M+2K"	77.926316
"592614"	408.042358	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"3M+2K"	77.926316
"1077497"	161.989558	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2K"	77.926316
"1108520"	324.986392	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2K+H"	78.933592
"1351292"	325.074007	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+DMSO+H"	79.021207
"1015627"	329.113176	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2ACN+H"	83.060376
"1531563"	330.106808	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+IsoProp+Na+H"	84.054008
"1001296"	165.060226	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+2ACN+2H"	84.067652
"1602371"	331.021428	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+K+HCOOH"	84.968628
"1429442"	361.052938	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+H+CF3COOH"	115.000138
"1159408"	185.573501	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+3ACN+2H"	125.094202
"1711146"	378.079485	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+NH4+CF3COOH"	132.026685
"1645706"	383.03488	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+Na+CF3COOH"	136.98208
"1583539"	399.00882	"C06355"	"2346-Tetrahydroxybenzophenone"	"C13H10O5"	"246.0528"	"M+K+CF3COOH"	152.95602
"801831"	230.0579	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M"	0
"975769"	211.03951	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-H2O-H"	-19.01839
"63687"	152.364657333333	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M-3H"	-3.021828
"503613"	229.050624	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M-3H"	-3.021828
"882105"	75.6786906666667	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-3H"	-3.021828
"3964"	229.050624	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M-2H"	-2.014552
"446805"	344.079574	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M-2H"	-2.014552
"824606"	114.021674	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-2H"	-2.014552
"93111"	459.108524	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M-H"	-1.007276
"532547"	689.166424	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M-H"	-1.007276
"910879"	229.050624	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-H"	-1.007276
"61817"	476.135071	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M-2H+NH4"	16.019271
"500287"	706.192971	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M-2H+NH4"	16.019271
"878573"	246.077171	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-2H+NH4"	16.019271
"46232"	481.090466	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M-2H+Na"	20.974666
"485177"	711.148366	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M-2H+Na"	20.974666
"861519"	251.032566	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-2H+Na"	20.974666
"1631660"	251.032566	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Na-2H"	20.974666
"106851"	247.038963	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M-H+Cl"	33.962126
"547140"	362.067913	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M-H+Cl"	33.962126
"940288"	132.010013	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-H+Cl"	33.962126
"274472"	495.085202	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+Cl"	34.969402
"667988"	725.143102	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+Cl"	34.969402
"1281485"	265.027302	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Cl"	34.969402
"21856"	497.064406	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M-2H+K"	36.948606
"459229"	727.122306	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M-2H+K"	36.948606
"837031"	267.006506	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-2H+K"	36.948606
"1558333"	267.006506	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+K-2H"	36.948606
"946215"	275.056094	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-H+HCOOH"	44.998194
"362116"	505.114001	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+HCOOH-H"	44.998201
"346244"	519.129651	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+Hac-H"	59.013851
"1505170"	289.071751	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Hac-H"	59.013851
"959100"	297.038051	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-H+NaCOOH"	66.980151
"112866"	265.027302	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+2Cl"	69.938804
"553157"	380.056252	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+2Cl"	69.938804
"1025240"	149.998352	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2Cl"	69.938804
"1244821"	308.976785	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Br"	78.918885
"1306175"	311.032772	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Cl+HCOOH"	80.974872
"1323671"	333.014729	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Cl+NaCOOH"	102.956829
"915823"	343.043486	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M-H+CF3COOH"	112.985586
"1289250"	379.020164	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Cl+CF3COOH"	148.962264
"1367409"	195.045224	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H-2H2O"	-35.012676
"1383204"	213.0552	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H-H2O"	-17.0027
"283290"	461.123076	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+H"	1.007276
"677379"	691.180976	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+H"	1.007276
"1353365"	231.065176	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H"	1.007276
"127345"	231.065176	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+2H"	2.014552
"568363"	346.094126	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+2H"	2.014552
"1039714"	116.036226	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2H"	2.014552
"206520"	154.379209333333	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+3H"	3.021828
"647908"	231.065176	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+3H"	3.021828
"1166031"	77.6932426666667	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+3H"	3.021828
"427118"	478.149623	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+NH4"	18.033823
"787747"	708.207523	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+NH4"	18.033823
"1684809"	248.091723	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+NH4"	18.033823
"333818"	239.5784495	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+H+NH4"	19.041099
"726603"	354.6073995	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+H+NH4"	19.041099
"1479329"	124.5494995	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H+NH4"	19.041099
"394362"	483.105018	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+Na"	22.989218
"756452"	713.162918	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+Na"	22.989218
"1604194"	253.047118	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Na"	22.989218
"317512"	242.056147	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+H+Na"	23.996494
"711026"	357.085097	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+H+Na"	23.996494
"1467036"	127.027197	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H+Na"	23.996494
"1055177"	85.0205566666667	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2H+Na"	25.00377
"1265242"	263.091386	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+CH3OH+H"	33.033486
"383820"	499.078958	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+K"	38.963158
"752475"	729.136858	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+K"	38.963158
"1552340"	269.021058	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+K"	38.963158
"312794"	250.043117	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+H+K"	39.970434
"699747"	365.072067	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+H+K"	39.970434
"1459038"	135.014167	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H+K"	39.970434
"246546"	502.149626	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+ACN+H"	42.033826
"1220347"	272.091726	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+ACN+H"	42.033826
"1204232"	136.549501	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+ACN+2H"	43.041102
"193825"	505.08696	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+2Na-H"	44.97116
"639942"	735.14486	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+2Na-H"	44.97116
"1137981"	275.02906	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2Na-H"	44.97116
"179084"	253.047118	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+2Na"	45.978436
"625587"	368.076068	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+2Na"	45.978436
"1127999"	138.018168	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2Na"	45.978436
"1408965"	92.3478706666667	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H+2Na"	46.985712
"1436707"	277.070646	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H+HCOOH"	47.012746
"230778"	258.08014	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+3H2O+2H"	56.04448
"1521765"	291.12269	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+IsoProp+H"	61.06479
"419992"	261.034088	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+Na+K"	61.952376
"781349"	376.063038	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+Na+K"	61.952376
"1677315"	146.005138	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Na+K"	61.952376
"262011"	524.131568	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+ACN+Na"	64.015768
"1236544"	294.073668	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+ACN+Na"	64.015768
"1722878"	294.097193	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+NH4+HCOOH"	64.039293
"1189325"	99.6751846666667	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+3Na"	68.967654
"1664811"	299.052588	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Na+HCOOH"	68.994688
"168267"	537.03484	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+2K-H"	76.91904
"607827"	767.09274	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+2K-H"	76.91904
"1093433"	306.97694	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2K-H"	76.91904
"152435"	269.021058	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"2M+2K"	77.926316
"592723"	384.050008	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"3M+2K"	77.926316
"1077607"	153.992108	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2K"	77.926316
"1108630"	308.991492	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2K+H"	78.933592
"1351253"	309.079107	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+DMSO+H"	79.021207
"1019016"	313.118276	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2ACN+H"	83.060376
"1531673"	314.111908	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+IsoProp+Na+H"	84.054008
"1001405"	157.062776	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+2ACN+2H"	84.067652
"1590441"	315.026528	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+K+HCOOH"	84.968628
"1429863"	345.058038	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+H+CF3COOH"	115.000138
"1162189"	177.576051	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+3ACN+2H"	125.094202
"1711623"	362.084585	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+NH4+CF3COOH"	132.026685
"1646909"	367.03998	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+Na+CF3COOH"	136.98208
"1583649"	383.01392	"C06356"	"246-Trihydroxybenzophenone;Phenyl(246-trihydroxyphenyl)-methanone"	"C13H10O4"	"230.0579"	"M+K+CF3COOH"	152.95602
"802105"	162.0681	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M"	0
"974704"	143.04971	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"63758"	107.038124	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"507698"	161.060824	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"893887"	53.015424	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"13920"	161.060824	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"451290"	242.094874	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"831407"	80.026774	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"92366"	323.128924	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"532777"	485.197024	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"907550"	161.060824	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"60828"	340.155471	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"501608"	502.223571	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"878559"	178.087371	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"44632"	345.110866	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"483098"	507.178966	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"861629"	183.042766	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1631525"	183.042766	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"104044"	179.049163	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"546883"	260.083213	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"928374"	98.015113	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"272396"	359.105602	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"662629"	521.173702	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1273818"	197.037502	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"16861"	361.084806	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"457516"	523.152906	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"838232"	199.016706	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1557346"	199.016706	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"944495"	207.066294	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"361743"	369.134401	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"346103"	383.150051	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1493230"	221.081951	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"960791"	229.048251	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"112976"	197.037502	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"554363"	278.071552	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1027538"	116.003452	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1246022"	240.986985	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1306649"	243.042972	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1321957"	265.024929	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"914110"	275.053686	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1291548"	311.030364	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1367185"	127.055424	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1382898"	145.0654	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"283607"	325.143476	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"682599"	487.211576	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1354571"	163.075376	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"126363"	163.075376	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"567380"	244.109426	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1040924"	82.041326	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"208096"	109.052676	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"648749"	163.075376	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1163591"	55.029976	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"426256"	342.170023	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"788224"	504.238123	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1683097"	180.101923	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"332832"	171.5886495	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"724525"	252.6226995	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1477980"	90.5545995	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"393752"	347.125418	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"761678"	509.193518	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1606493"	185.057318	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"315071"	174.066347	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"710043"	255.100397	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1463866"	93.032297	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1060394"	62.35729	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1271557"	195.101586	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"391956"	363.099358	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"753640"	525.167458	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1552812"	201.031258	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"311812"	182.053317	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"705695"	263.087367	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1456238"	101.019267	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"247752"	366.170026	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1221551"	204.101926	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1202154"	102.554601	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"198305"	369.10736	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"638959"	531.17546	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1143559"	207.03926	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"179200"	185.057318	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"625336"	266.091368	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1127378"	104.023268	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1409078"	69.684604	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1442292"	209.080846	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"230529"	190.09034	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1518593"	223.13289	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"417549"	193.044288	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"778543"	274.078338	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1673779"	112.010238	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"255927"	388.151968	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1228635"	226.083868	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1718614"	226.107393	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1180687"	77.011918	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1658965"	231.062788	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"161817"	401.05524	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"602470"	563.12334	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1092449"	238.98714	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"150358"	201.031258	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"582511"	282.065308	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1073345"	119.997208	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1115393"	241.001692	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1349749"	241.089307	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1019128"	245.128476	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1535070"	246.122108	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"994956"	123.067876	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1589459"	247.036728	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1427519"	277.068238	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1154161"	143.581151	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1709181"	294.094785	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1639362"	299.05018	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1580480"	315.02412	"C06358"	"Methyl cinnamate;3-Phenyl-2-propenoic acid methyl"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"801689"	176.0837	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M"	0
"975626"	157.06531	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-H2O-H"	-19.01839
"63168"	116.381857333333	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M-3H"	-3.021828
"511088"	175.076424	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M-3H"	-3.021828
"894847"	57.6872906666667	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-3H"	-3.021828
"15530"	175.076424	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M-2H"	-2.014552
"454316"	263.118274	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M-2H"	-2.014552
"831030"	87.034574	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-2H"	-2.014552
"93207"	351.160124	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M-H"	-1.007276
"532766"	527.243824	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M-H"	-1.007276
"908753"	175.076424	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-H"	-1.007276
"61668"	368.186671	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M-2H+NH4"	16.019271
"502201"	544.270371	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M-2H+NH4"	16.019271
"878302"	192.102971	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-2H+NH4"	16.019271
"46322"	373.142066	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M-2H+Na"	20.974666
"483208"	549.225766	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M-2H+Na"	20.974666
"861011"	197.058366	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-2H+Na"	20.974666
"1632000"	197.058366	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Na-2H"	20.974666
"108528"	193.064763	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M-H+Cl"	33.962126
"547723"	281.106613	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M-H+Cl"	33.962126
"930671"	105.022913	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-H+Cl"	33.962126
"271777"	387.136802	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+Cl"	34.969402
"660915"	563.220502	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+Cl"	34.969402
"1273929"	211.053102	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Cl"	34.969402
"18797"	389.116006	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M-2H+K"	36.948606
"462731"	565.199706	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M-2H+K"	36.948606
"837250"	213.032306	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-2H+K"	36.948606
"1556240"	213.032306	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+K-2H"	36.948606
"946427"	221.081894	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-H+HCOOH"	44.998194
"363558"	397.165601	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+HCOOH-H"	44.998201
"346222"	411.181251	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+Hac-H"	59.013851
"1493097"	235.097551	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Hac-H"	59.013851
"968193"	243.063851	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-H+NaCOOH"	66.980151
"124880"	211.053102	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+2Cl"	69.938804
"564075"	299.094952	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+2Cl"	69.938804
"1025464"	123.011252	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2Cl"	69.938804
"1249417"	255.002585	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Br"	78.918885
"1309676"	257.058572	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Cl+HCOOH"	80.974872
"1326080"	279.040529	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Cl+NaCOOH"	102.956829
"914950"	289.069286	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M-H+CF3COOH"	112.985586
"1290563"	325.045964	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Cl+CF3COOH"	148.962264
"1367301"	141.071024	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H-2H2O"	-35.012676
"1386222"	159.081	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H-H2O"	-17.0027
"283838"	353.174676	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+H"	1.007276
"682709"	529.258376	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+H"	1.007276
"1355775"	177.090976	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H"	1.007276
"127202"	177.090976	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+2H"	2.014552
"566517"	265.132826	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+2H"	2.014552
"1038847"	89.049126	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2H"	2.014552
"210030"	118.396409333333	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+3H"	3.021828
"654330"	177.090976	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+3H"	3.021828
"1164798"	59.7018426666667	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+3H"	3.021828
"425882"	370.201223	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+NH4"	18.033823
"787969"	546.284923	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+NH4"	18.033823
"1684299"	194.117523	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+NH4"	18.033823
"334766"	185.6042495	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+H+NH4"	19.041099
"726094"	273.6460995	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+H+NH4"	19.041099
"1479912"	97.5623995	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H+NH4"	19.041099
"396041"	375.156618	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+Na"	22.989218
"760695"	551.240318	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+Na"	22.989218
"1609885"	199.072918	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Na"	22.989218
"322108"	188.081947	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+H+Na"	23.996494
"712342"	276.123797	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+H+Na"	23.996494
"1463977"	100.040097	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H+Na"	23.996494
"1063785"	67.0291566666667	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2H+Na"	25.00377
"1269479"	209.117186	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+CH3OH+H"	33.033486
"390606"	391.130558	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+K"	38.963158
"751602"	567.214258	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+K"	38.963158
"1551467"	215.046858	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+K"	38.963158
"313385"	196.068917	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+H+K"	39.970434
"706900"	284.110767	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+H+K"	39.970434
"1458898"	108.027067	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H+K"	39.970434
"238021"	394.201226	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+ACN+H"	42.033826
"1216194"	218.117526	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+ACN+H"	42.033826
"1201170"	109.562401	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+ACN+2H"	43.041102
"198416"	397.13856	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+2Na-H"	44.97116
"635790"	573.22226	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+2Na-H"	44.97116
"1140389"	221.05486	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2Na-H"	44.97116
"179310"	199.072918	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+2Na"	45.978436
"625447"	287.114768	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+2Na"	45.978436
"1127853"	111.031068	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2Na"	45.978436
"1409188"	74.3564706666667	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H+2Na"	46.985712
"1444102"	223.096446	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H+HCOOH"	47.012746
"231002"	204.10594	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+3H2O+2H"	56.04448
"1520161"	237.14849	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+IsoProp+H"	61.06479
"416566"	207.059888	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+Na+K"	61.952376
"781933"	295.101738	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+Na+K"	61.952376
"1672797"	119.018038	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Na+K"	61.952376
"256037"	416.183168	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+ACN+Na"	64.015768
"1229839"	240.099468	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+ACN+Na"	64.015768
"1718724"	240.122993	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+NH4+HCOOH"	64.039293
"1180432"	81.6837846666667	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+3Na"	68.967654
"1660168"	245.078388	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Na+HCOOH"	68.994688
"161927"	429.08644	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+2K-H"	76.91904
"602580"	605.17014	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+2K-H"	76.91904
"1092559"	253.00274	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2K-H"	76.91904
"147188"	215.046858	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"2M+2K"	77.926316
"582256"	303.088708	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"3M+2K"	77.926316
"1073819"	127.005008	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2K"	77.926316
"1115467"	255.017292	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2K+H"	78.933592
"1350102"	255.104907	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+DMSO+H"	79.021207
"1019968"	259.144076	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2ACN+H"	83.060376
"1535180"	260.137708	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+IsoProp+Na+H"	84.054008
"995066"	130.075676	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+2ACN+2H"	84.067652
"1589568"	261.052328	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+K+HCOOH"	84.968628
"1417416"	291.083838	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+H+CF3COOH"	115.000138
"1161803"	150.588951	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+3ACN+2H"	125.094202
"1707104"	308.110385	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+NH4+CF3COOH"	132.026685
"1646033"	313.06578	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+Na+CF3COOH"	136.98208
"1580590"	329.03972	"C06359"	"Ethyl cinnamate;3-Phenylpropenoic acid ethyl"	"C11H12O2"	"176.0837"	"M+K+CF3COOH"	152.95602
"802569"	190.0994	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M"	0
"975371"	171.08101	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-H2O-H"	-19.01839
"65072"	125.725657333333	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M-3H"	-3.021828
"507915"	189.092124	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M-3H"	-3.021828
"883532"	62.3591906666667	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-3H"	-3.021828
"14140"	189.092124	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M-2H"	-2.014552
"452604"	284.141824	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M-2H"	-2.014552
"829311"	94.042424	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-2H"	-2.014552
"91494"	379.191524	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M-H"	-1.007276
"532146"	569.290924	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M-H"	-1.007276
"909592"	189.092124	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-H"	-1.007276
"60928"	396.218071	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M-2H+NH4"	16.019271
"502191"	586.317471	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M-2H+NH4"	16.019271
"878413"	206.118671	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-2H+NH4"	16.019271
"44127"	401.173466	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M-2H+Na"	20.974666
"484778"	591.272866	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M-2H+Na"	20.974666
"859301"	211.074066	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-2H+Na"	20.974666
"1631748"	211.074066	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Na-2H"	20.974666
"109530"	207.080463	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M-H+Cl"	33.962126
"543823"	302.130163	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M-H+Cl"	33.962126
"938432"	112.030763	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-H+Cl"	33.962126
"271521"	415.168202	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+Cl"	34.969402
"665766"	605.267602	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+Cl"	34.969402
"1275983"	225.068802	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Cl"	34.969402
"19269"	417.147406	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M-2H+K"	36.948606
"462841"	607.246806	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M-2H+K"	36.948606
"838454"	227.048006	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-2H+K"	36.948606
"1560848"	227.048006	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+K-2H"	36.948606
"944111"	235.097594	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-H+HCOOH"	44.998194
"362939"	425.197001	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+HCOOH-H"	44.998201
"347916"	439.212651	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+Hac-H"	59.013851
"1500761"	249.113251	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Hac-H"	59.013851
"972438"	257.079551	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-H+NaCOOH"	66.980151
"124626"	225.068802	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+2Cl"	69.938804
"562241"	320.118502	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+2Cl"	69.938804
"1028856"	130.019102	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2Cl"	69.938804
"1252808"	269.018285	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Br"	78.918885
"1316350"	271.074272	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Cl+HCOOH"	80.974872
"1322910"	293.056229	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Cl+NaCOOH"	102.956829
"916154"	303.084986	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M-H+CF3COOH"	112.985586
"1298331"	339.061664	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Cl+CF3COOH"	148.962264
"1369564"	155.086724	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H-2H2O"	-35.012676
"1395083"	173.0967	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H-H2O"	-17.0027
"287477"	381.206076	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+H"	1.007276
"687196"	571.305476	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+H"	1.007276
"1363543"	191.106676	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H"	1.007276
"136431"	191.106676	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+2H"	2.014552
"568699"	286.156376	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+2H"	2.014552
"1042238"	96.056976	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2H"	2.014552
"207952"	127.740209333333	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+3H"	3.021828
"648241"	191.106676	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+3H"	3.021828
"1164908"	64.3737426666667	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+3H"	3.021828
"425628"	398.232623	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+NH4"	18.033823
"786987"	588.332023	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+NH4"	18.033823
"1684047"	208.133223	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+NH4"	18.033823
"331959"	199.6199495	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+H+NH4"	19.041099
"727297"	294.6696495	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+H+NH4"	19.041099
"1479657"	104.5702495	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H+NH4"	19.041099
"393359"	403.188018	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+Na"	22.989218
"767367"	593.287418	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+Na"	22.989218
"1611091"	213.088618	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Na"	22.989218
"325503"	202.097647	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+H+Na"	23.996494
"719016"	297.147347	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+H+Na"	23.996494
"1469555"	107.047947	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H+Na"	23.996494
"1064626"	71.7010566666667	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2H+Na"	25.00377
"1271413"	223.132886	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+CH3OH+H"	33.033486
"392809"	419.161958	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+K"	38.963158
"754167"	609.261358	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+K"	38.963158
"1555475"	229.062558	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+K"	38.963158
"314229"	210.084617	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+H+K"	39.970434
"705674"	305.134317	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+H+K"	39.970434
"1458643"	115.034917	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H+K"	39.970434
"241413"	422.232626	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+ACN+H"	42.033826
"1216307"	232.133226	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+ACN+H"	42.033826
"1201280"	116.570251	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+ACN+2H"	43.041102
"195244"	425.16996	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+2Na-H"	44.97116
"633717"	615.26936	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+2Na-H"	44.97116
"1139410"	235.07056	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2Na-H"	44.97116
"184889"	213.088618	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+2Na"	45.978436
"626649"	308.138318	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+2Na"	45.978436
"1127965"	118.038918	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2Na"	45.978436
"1413432"	79.0283706666667	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H+2Na"	46.985712
"1442877"	237.112146	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H+HCOOH"	47.012746
"233301"	218.12164	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+3H2O+2H"	56.04448
"1521003"	251.16419	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+IsoProp+H"	61.06479
"421051"	221.075588	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+Na+K"	61.952376
"782048"	316.125288	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+Na+K"	61.952376
"1679837"	126.025888	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Na+K"	61.952376
"262343"	444.214568	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+ACN+Na"	64.015768
"1239426"	254.115168	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+ACN+Na"	64.015768
"1725396"	254.138693	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+NH4+HCOOH"	64.039293
"1186375"	86.3556846666667	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+3Na"	68.967654
"1661371"	259.094088	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Na+HCOOH"	68.994688
"167505"	457.11784	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+2K-H"	76.91904
"611319"	647.21724	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+2K-H"	76.91904
"1097774"	267.01844	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2K-H"	76.91904
"149486"	229.062558	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"2M+2K"	77.926316
"582851"	324.112258	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"3M+2K"	77.926316
"1070649"	134.012858	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2K"	77.926316
"1111152"	269.032992	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2K+H"	78.933592
"1345349"	269.120607	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+DMSO+H"	79.021207
"1016065"	273.159776	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2ACN+H"	83.060376
"1534195"	274.153408	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+IsoProp+Na+H"	84.054008
"1000641"	137.083526	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+2ACN+2H"	84.067652
"1594050"	275.068028	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+K+HCOOH"	84.968628
"1415697"	305.099538	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+H+CF3COOH"	115.000138
"1161914"	157.596801	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+3ACN+2H"	125.094202
"1711219"	322.126085	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+NH4+CF3COOH"	132.026685
"1642864"	327.08148	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+Na+CF3COOH"	136.98208
"1580700"	343.05542	"C06360"	"Propyl cinnamate;3-Phenylpropenoic acid propyl ester"	"C12H14O2"	"190.0994"	"M+K+CF3COOH"	152.95602
"805601"	159.1735	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M"	0
"987884"	140.15511	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-H2O-H"	-19.01839
"78418"	105.108390666667	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M-3H"	-3.021828
"511313"	158.166224	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M-3H"	-3.021828
"895385"	52.0505573333333	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-3H"	-3.021828
"15393"	158.166224	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M-2H"	-2.014552
"452722"	237.752974	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M-2H"	-2.014552
"829434"	78.579474	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-2H"	-2.014552
"91249"	317.339724	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M-H"	-1.007276
"530081"	476.513224	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M-H"	-1.007276
"906427"	158.166224	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-H"	-1.007276
"61890"	334.366271	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M-2H+NH4"	16.019271
"500599"	493.539771	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M-2H+NH4"	16.019271
"879006"	175.192771	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-2H+NH4"	16.019271
"42048"	339.321666	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M-2H+Na"	20.974666
"481610"	498.495166	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M-2H+Na"	20.974666
"862691"	180.148166	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-2H+Na"	20.974666
"1624571"	180.148166	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Na-2H"	20.974666
"101099"	176.154563	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M-H+Cl"	33.962126
"541750"	255.741313	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M-H+Cl"	33.962126
"934172"	96.567813	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-H+Cl"	33.962126
"271997"	353.316402	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+Cl"	34.969402
"663690"	512.489902	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+Cl"	34.969402
"1273910"	194.142902	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Cl"	34.969402
"25584"	355.295606	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M-2H+K"	36.948606
"468425"	514.469106	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M-2H+K"	36.948606
"847976"	196.122106	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-2H+K"	36.948606
"1568988"	196.122106	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+K-2H"	36.948606
"957845"	204.171694	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-H+HCOOH"	44.998194
"376182"	363.345201	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+HCOOH-H"	44.998201
"360432"	377.360851	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+Hac-H"	59.013851
"1508013"	218.187351	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Hac-H"	59.013851
"974204"	226.153651	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-H+NaCOOH"	66.980151
"122793"	194.142902	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+2Cl"	69.938804
"555793"	273.729652	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+2Cl"	69.938804
"1032247"	114.556152	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2Cl"	69.938804
"1249638"	238.092385	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Br"	78.918885
"1310265"	240.148372	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Cl+HCOOH"	80.974872
"1326668"	262.130329	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Cl+NaCOOH"	102.956829
"926121"	272.159086	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M-H+CF3COOH"	112.985586
"1301001"	308.135764	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Cl+CF3COOH"	148.962264
"1379526"	124.160824	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H-2H2O"	-35.012676
"1394836"	142.1708	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H-H2O"	-17.0027
"293792"	319.354276	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+H"	1.007276
"686214"	478.527776	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+H"	1.007276
"1359282"	160.180776	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H"	1.007276
"135451"	160.180776	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+2H"	2.014552
"571730"	239.767526	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+2H"	2.014552
"1040530"	80.594026	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2H"	2.014552
"211712"	107.122942666667	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+3H"	3.021828
"647627"	160.180776	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+3H"	3.021828
"1164291"	54.0651093333333	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+3H"	3.021828
"438398"	336.380823	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+NH4"	18.033823
"800724"	495.554323	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+NH4"	18.033823
"1692921"	177.207323	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+NH4"	18.033823
"343022"	168.6940495	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+H+NH4"	19.041099
"732890"	248.2807995	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+H+NH4"	19.041099
"1485619"	89.1072995	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H+NH4"	19.041099
"404300"	341.336218	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+Na"	22.989218
"764201"	500.509718	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+Na"	22.989218
"1613409"	182.162718	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Na"	22.989218
"329037"	171.171747	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+H+Na"	23.996494
"719145"	250.758497	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+H+Na"	23.996494
"1475519"	91.584997	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H+Na"	23.996494
"1067669"	61.3924233333333	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2H+Na"	25.00377
"1272386"	192.206986	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+CH3OH+H"	33.033486
"392092"	357.310158	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+K"	38.963158
"753530"	516.483658	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+K"	38.963158
"1553514"	198.136658	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+K"	38.963158
"313691"	179.158717	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+H+K"	39.970434
"703478"	258.745467	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+H+K"	39.970434
"1458392"	99.571967	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H+K"	39.970434
"242620"	360.380826	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+ACN+H"	42.033826
"1221900"	201.207326	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+ACN+H"	42.033826
"1200321"	101.107301	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+ACN+2H"	43.041102
"200846"	363.31816	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+2Na-H"	44.97116
"638220"	522.49166	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+2Na-H"	44.97116
"1138445"	204.14466	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2Na-H"	44.97116
"179544"	182.162718	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+2Na"	45.978436
"621292"	261.749468	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+2Na"	45.978436
"1121517"	102.575968	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2Na"	45.978436
"1405044"	68.7197373333333	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H+2Na"	46.985712
"1439346"	206.186246	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H+HCOOH"	47.012746
"222480"	187.19574	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+3H2O+2H"	56.04448
"1517104"	220.23829	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+IsoProp+H"	61.06479
"415699"	190.149688	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+Na+K"	61.952376
"782162"	269.736438	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+Na+K"	61.952376
"1678129"	110.562938	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Na+K"	61.952376
"256264"	382.362768	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+ACN+Na"	64.015768
"1231157"	223.189268	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+ACN+Na"	64.015768
"1722233"	223.212793	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+NH4+HCOOH"	64.039293
"1191599"	76.0470513333333	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+3Na"	68.967654
"1664656"	228.168188	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Na+HCOOH"	68.994688
"172133"	395.26604	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+2K-H"	76.91904
"610963"	554.43954	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+2K-H"	76.91904
"1098756"	236.09254	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2K-H"	76.91904
"156300"	198.136658	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"2M+2K"	77.926316
"595860"	277.723408	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"3M+2K"	77.926316
"1080247"	118.549908	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2K"	77.926316
"1114428"	238.107092	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2K+H"	78.933592
"1345466"	238.194707	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+DMSO+H"	79.021207
"1012904"	242.233876	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2ACN+H"	83.060376
"1528842"	243.227508	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+IsoProp+Na+H"	84.054008
"995289"	121.620576	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+2ACN+2H"	84.067652
"1593072"	244.142128	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+K+HCOOH"	84.968628
"1420919"	274.173638	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+H+CF3COOH"	115.000138
"1154491"	142.133851	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+3ACN+2H"	125.094202
"1697482"	291.200185	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+NH4+CF3COOH"	132.026685
"1635322"	296.15558	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+Na+CF3COOH"	136.98208
"1573160"	312.12952	"C06366"	"sym-Homospermidine;Homospermidine"	"C8H21N3"	"159.1735"	"M+K+CF3COOH"	152.95602
"810086"	195.9773	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M"	0
"984713"	176.95891	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-H2O-H"	-19.01839
"78435"	129.644257333333	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M-3H"	-3.021828
"518422"	194.970024	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M-3H"	-3.021828
"894694"	64.3184906666667	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-3H"	-3.021828
"14010"	194.970024	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M-2H"	-2.014552
"455636"	292.958674	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M-2H"	-2.014552
"830638"	96.981374	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-2H"	-2.014552
"91360"	390.947324	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M-H"	-1.007276
"529100"	586.924624	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M-H"	-1.007276
"907996"	194.970024	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-H"	-1.007276
"61396"	407.973871	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M-2H+NH4"	16.019271
"501924"	603.951171	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M-2H+NH4"	16.019271
"877539"	211.996571	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-2H+NH4"	16.019271
"43980"	412.929266	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M-2H+Na"	20.974666
"483903"	608.906566	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M-2H+Na"	20.974666
"858427"	216.951966	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-2H+Na"	20.974666
"1627957"	216.951966	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Na-2H"	20.974666
"101209"	212.958363	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M-H+Cl"	33.962126
"539673"	310.947013	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M-H+Cl"	33.962126
"932096"	114.969713	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-H+Cl"	33.962126
"267162"	426.924002	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+Cl"	34.969402
"661980"	622.901302	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+Cl"	34.969402
"1272958"	230.946702	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Cl"	34.969402
"25694"	428.903206	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M-2H+K"	36.948606
"468535"	624.880506	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M-2H+K"	36.948606
"847438"	232.925906	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-2H+K"	36.948606
"1569098"	232.925906	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+K-2H"	36.948606
"957347"	240.975494	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-H+HCOOH"	44.998194
"376832"	436.952801	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+HCOOH-H"	44.998201
"358717"	450.968451	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+Hac-H"	59.013851
"1507677"	254.991151	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Hac-H"	59.013851
"970718"	262.957451	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-H+NaCOOH"	66.980151
"122905"	230.946702	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+2Cl"	69.938804
"556998"	328.935352	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+2Cl"	69.938804
"1032358"	132.958052	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2Cl"	69.938804
"1244646"	274.896185	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Br"	78.918885
"1315481"	276.952172	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Cl+HCOOH"	80.974872
"1329696"	298.934129	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Cl+NaCOOH"	102.956829
"924768"	308.962886	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M-H+CF3COOH"	112.985586
"1302570"	344.939564	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Cl+CF3COOH"	148.962264
"1380000"	160.964624	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H-2H2O"	-35.012676
"1392029"	178.9746	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H-H2O"	-17.0027
"293902"	392.961876	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+H"	1.007276
"687417"	588.939176	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+H"	1.007276
"1358298"	196.984576	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H"	1.007276
"132281"	196.984576	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+2H"	2.014552
"575122"	294.973226	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+2H"	2.014552
"1049025"	98.995926	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2H"	2.014552
"211822"	131.658809333333	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+3H"	3.021828
"647373"	196.984576	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+3H"	3.021828
"1165494"	66.3330426666667	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+3H"	3.021828
"436798"	409.988423	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+NH4"	18.033823
"800347"	605.965723	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+NH4"	18.033823
"1693030"	214.011123	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+NH4"	18.033823
"342402"	205.4978495	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+H+NH4"	19.041099
"731907"	303.4864995	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+H+NH4"	19.041099
"1485729"	107.5091995	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H+NH4"	19.041099
"403317"	414.943818	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+Na"	22.989218
"763218"	610.921118	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+Na"	22.989218
"1617530"	218.966518	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Na"	22.989218
"329637"	207.975547	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+H+Na"	23.996494
"722736"	305.964197	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+H+Na"	23.996494
"1476725"	109.986897	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H+Na"	23.996494
"1067828"	73.6603566666667	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2H+Na"	25.00377
"1272576"	229.010786	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+CH3OH+H"	33.033486
"392736"	430.917758	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+K"	38.963158
"753397"	626.895058	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+K"	38.963158
"1553624"	234.940458	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+K"	38.963158
"312991"	215.962517	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+H+K"	39.970434
"703588"	313.951167	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+H+K"	39.970434
"1457409"	117.973867	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H+K"	39.970434
"242730"	433.988426	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+ACN+H"	42.033826
"1224687"	238.011126	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+ACN+H"	42.033826
"1202619"	119.509201	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+ACN+2H"	43.041102
"201686"	436.92576	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+2Na-H"	44.97116
"643432"	632.90306	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+2Na-H"	44.97116
"1143659"	240.94846	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2Na-H"	44.97116
"178560"	218.966518	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+2Na"	45.978436
"622496"	316.955168	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+2Na"	45.978436
"1122725"	120.977868	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2Na"	45.978436
"1410622"	80.9876706666667	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H+2Na"	46.985712
"1441643"	242.990046	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H+HCOOH"	47.012746
"223687"	223.99954	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+3H2O+2H"	56.04448
"1518309"	257.04209	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+IsoProp+H"	61.06479
"419089"	226.953488	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+Na+K"	61.952376
"780086"	324.942138	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+Na+K"	61.952376
"1676417"	128.964838	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Na+K"	61.952376
"258561"	455.970368	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+ACN+Na"	64.015768
"1229082"	259.993068	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+ACN+Na"	64.015768
"1719063"	260.016593	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+NH4+HCOOH"	64.039293
"1190980"	88.3149846666667	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+3Na"	68.967654
"1663800"	264.971988	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Na+HCOOH"	68.994688
"171633"	468.87364	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+2K-H"	76.91904
"611194"	664.85094	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+2K-H"	76.91904
"1099352"	272.89634	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2K-H"	76.91904
"156938"	234.940458	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"2M+2K"	77.926316
"596825"	332.929108	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"3M+2K"	77.926316
"1080358"	136.951808	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2K"	77.926316
"1114417"	274.910892	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2K+H"	78.933592
"1350560"	274.998507	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+DMSO+H"	79.021207
"1016295"	279.037676	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2ACN+H"	83.060376
"1532232"	280.031308	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+IsoProp+Na+H"	84.054008
"995399"	140.022476	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+2ACN+2H"	84.067652
"1599743"	280.945928	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+K+HCOOH"	84.968628
"1424309"	310.977438	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+H+CF3COOH"	115.000138
"1151321"	160.535751	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+3ACN+2H"	125.094202
"1700870"	328.003985	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+NH4+CF3COOH"	132.026685
"1635432"	332.95938	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+Na+CF3COOH"	136.98208
"1573270"	348.93332	"C06367"	"1-Carboxyvinyl carboxyphosphonate;Carboxyphosphonoenolpyruvate"	"C4H5O7P"	"195.9773"	"M+K+CF3COOH"	152.95602
"815301"	151.9875	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M"	0
"983730"	132.96911	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-H2O-H"	-19.01839
"74888"	100.317724	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M-3H"	-3.021828
"513720"	150.980224	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M-3H"	-3.021828
"891520"	49.655224	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-3H"	-3.021828
"14846"	150.980224	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M-2H"	-2.014552
"455136"	226.973974	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M-2H"	-2.014552
"830750"	74.986474	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-2H"	-2.014552
"90016"	302.967724	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M-H"	-1.007276
"528114"	454.955224	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M-H"	-1.007276
"907741"	150.980224	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-H"	-1.007276
"61627"	319.994271	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M-2H+NH4"	16.019271
"500941"	471.981771	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M-2H+NH4"	16.019271
"877285"	168.006771	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-2H+NH4"	16.019271
"44454"	324.949666	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M-2H+Na"	20.974666
"485110"	476.937166	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M-2H+Na"	20.974666
"857443"	172.962166	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-2H+Na"	20.974666
"1624789"	172.962166	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Na-2H"	20.974666
"104599"	168.968563	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M-H+Cl"	33.962126
"541973"	244.962313	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M-H+Cl"	33.962126
"928925"	92.974813	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-H+Cl"	33.962126
"268331"	338.944402	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+Cl"	34.969402
"662091"	490.931902	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+Cl"	34.969402
"1273316"	186.956902	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Cl"	34.969402
"22523"	340.923606	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M-2H+K"	36.948606
"465365"	492.911106	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M-2H+K"	36.948606
"847544"	188.936106	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-2H+K"	36.948606
"1569208"	188.936106	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+K-2H"	36.948606
"955999"	196.985694	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-H+HCOOH"	44.998194
"376286"	348.973201	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+HCOOH-H"	44.998201
"360650"	362.988851	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+Hac-H"	59.013851
"1506206"	211.001351	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Hac-H"	59.013851
"967548"	218.967651	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-H+NaCOOH"	66.980151
"123015"	186.956902	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+2Cl"	69.938804
"560389"	262.950652	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+2Cl"	69.938804
"1032468"	110.963152	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2Cl"	69.938804
"1246579"	230.906385	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Br"	78.918885
"1314497"	232.962372	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Cl+HCOOH"	80.974872
"1328713"	254.944329	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Cl+NaCOOH"	102.956829
"924513"	264.973086	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M-H+CF3COOH"	112.985586
"1302316"	300.949764	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Cl+CF3COOH"	148.962264
"1377557"	116.974824	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H-2H2O"	-35.012676
"1394325"	134.9848	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H-H2O"	-17.0027
"294740"	304.982276	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+H"	1.007276
"680966"	456.969776	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+H"	1.007276
"1356221"	152.994776	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H"	1.007276
"130204"	152.994776	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+2H"	2.014552
"571952"	228.988526	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+2H"	2.014552
"1044032"	77.001026	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2H"	2.014552
"207193"	102.332276	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+3H"	3.021828
"646388"	152.994776	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+3H"	3.021828
"1165605"	51.669776	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+3H"	3.021828
"436177"	322.008823	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+NH4"	18.033823
"797174"	473.996323	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+NH4"	18.033823
"1690222"	170.021323	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+NH4"	18.033823
"339595"	161.5080495	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+H+NH4"	19.041099
"729830"	237.5017995	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+H+NH4"	19.041099
"1483653"	85.5142995	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H+NH4"	19.041099
"403427"	326.964218	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+Na"	22.989218
"763327"	478.951718	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+Na"	22.989218
"1616776"	174.976718	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Na"	22.989218
"329618"	163.985747	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+H+Na"	23.996494
"722498"	239.979497	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+H+Na"	23.996494
"1476966"	87.991997	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H+Na"	23.996494
"1067891"	58.99709	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2H+Na"	25.00377
"1271997"	185.020986	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+CH3OH+H"	33.033486
"392695"	342.938158	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+K"	38.963158
"753144"	494.925658	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+K"	38.963158
"1553613"	190.950658	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+K"	38.963158
"313467"	171.972717	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+H+K"	39.970434
"703334"	247.966467	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+H+K"	39.970434
"1458249"	95.978967	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H+K"	39.970434
"242840"	346.008826	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+ACN+H"	42.033826
"1224679"	194.021326	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+ACN+H"	42.033826
"1207831"	97.514301	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+ACN+2H"	43.041102
"202162"	348.94616	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+2Na-H"	44.97116
"642577"	500.93366	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+2Na-H"	44.97116
"1145111"	196.95866	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2Na-H"	44.97116
"183049"	174.976718	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+2Na"	45.978436
"627710"	250.970468	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+2Na"	45.978436
"1126113"	98.982968	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2Na"	45.978436
"1410733"	66.324404	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H+2Na"	46.985712
"1443216"	199.000246	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H+HCOOH"	47.012746
"229264"	180.00974	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+3H2O+2H"	56.04448
"1522066"	213.05229	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+IsoProp+H"	61.06479
"424067"	182.963688	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+Na+K"	61.952376
"781289"	258.957438	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+Na+K"	61.952376
"1678350"	106.969938	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Na+K"	61.952376
"260859"	367.990768	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+ACN+Na"	64.015768
"1237939"	216.003268	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+ACN+Na"	64.015768
"1722453"	216.026793	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+NH4+HCOOH"	64.039293
"1190727"	73.651718	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+3Na"	68.967654
"1665367"	220.982188	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Na+HCOOH"	68.994688
"172720"	380.89404	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+2K-H"	76.91904
"612786"	532.88154	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+2K-H"	76.91904
"1099839"	228.90654	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2K-H"	76.91904
"157108"	190.950658	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"2M+2K"	77.926316
"597025"	266.944408	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"3M+2K"	77.926316
"1082655"	114.956908	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2K"	77.926316
"1114532"	230.921092	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2K+H"	78.933592
"1349944"	231.008707	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+DMSO+H"	79.021207
"1016405"	235.047876	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2ACN+H"	83.060376
"1535622"	236.041508	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+IsoProp+Na+H"	84.054008
"998790"	118.027576	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+2ACN+2H"	84.067652
"1602608"	236.956128	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+K+HCOOH"	84.968628
"1424419"	266.987638	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+H+CF3COOH"	115.000138
"1154711"	138.540851	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+3ACN+2H"	125.094202
"1703168"	284.014185	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+NH4+CF3COOH"	132.026685
"1639912"	288.96958	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+Na+CF3COOH"	136.98208
"1573380"	304.94352	"C06368"	"3-(Hydrohydroxyphosphoryl)pyruvate;(Hydroxyphosphinyl)pyruvate"	"C3H5O5P"	"151.9875"	"M+K+CF3COOH"	152.95602
"801679"	244.0348	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M"	0
"982747"	225.01641	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-H2O-H"	-19.01839
"73176"	161.682590666667	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M-3H"	-3.021828
"513830"	243.027524	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M-3H"	-3.021828
"893091"	80.3376573333333	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-3H"	-3.021828
"12406"	243.027524	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H"	-2.014552
"453052"	365.044924	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H"	-2.014552
"828674"	121.010124	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-2H"	-2.014552
"91215"	487.062324	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M-H"	-1.007276
"527131"	731.097124	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M-H"	-1.007276
"906027"	243.027524	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-H"	-1.007276
"59305"	504.088871	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+NH4"	16.019271
"498866"	748.123671	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+NH4"	16.019271
"876303"	260.054071	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+NH4"	16.019271
"40192"	509.044266	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+Na"	20.974666
"477566"	753.079066	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+Na"	20.974666
"850992"	265.009466	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+Na"	20.974666
"1620525"	265.009466	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Na-2H"	20.974666
"94869"	261.015863	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M-H+Cl"	33.962126
"536616"	383.033263	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M-H+Cl"	33.962126
"931222"	138.998463	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-H+Cl"	33.962126
"267714"	523.039002	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+Cl"	34.969402
"663294"	767.073802	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+Cl"	34.969402
"1273511"	279.004202	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl"	34.969402
"22633"	525.018206	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M-2H+K"	36.948606
"465475"	769.053006	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M-2H+K"	36.948606
"844373"	280.983406	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-2H+K"	36.948606
"1568590"	280.983406	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+K-2H"	36.948606
"952464"	289.032994	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-H+HCOOH"	44.998194
"369586"	533.067801	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+HCOOH-H"	44.998201
"358939"	547.083451	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+Hac-H"	59.013851
"1503397"	303.048651	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Hac-H"	59.013851
"962190"	311.014951	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-H+NaCOOH"	66.980151
"114014"	279.004202	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Cl"	69.938804
"557219"	401.021602	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Cl"	69.938804
"1028570"	156.986802	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2Cl"	69.938804
"1249241"	322.953685	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Br"	78.918885
"1312421"	325.009672	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+HCOOH"	80.974872
"1328824"	346.991629	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+NaCOOH"	102.956829
"924259"	357.020386	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M-H+CF3COOH"	112.985586
"1303686"	392.997064	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Cl+CF3COOH"	148.962264
"1375845"	209.022124	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H-2H2O"	-35.012676
"1392249"	227.0321	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H-H2O"	-17.0027
"293028"	489.076876	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+H"	1.007276
"678159"	733.111676	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+H"	1.007276
"1358520"	245.042076	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H"	1.007276
"132501"	245.042076	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+2H"	2.014552
"572062"	367.059476	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+2H"	2.014552
"1044142"	123.024676	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2H"	2.014552
"212043"	163.697142666667	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H"	3.021828
"650510"	245.042076	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+3H"	3.021828
"1166810"	82.3522093333333	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+3H"	3.021828
"436287"	506.103423	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+NH4"	18.033823
"798379"	750.138223	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+NH4"	18.033823
"1692518"	262.068623	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4"	18.033823
"342988"	253.5553495	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+NH4"	19.041099
"735045"	375.5727495	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+NH4"	19.041099
"1485951"	131.5379495	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H+NH4"	19.041099
"405726"	511.058818	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na"	22.989218
"766720"	755.093618	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na"	22.989218
"1614824"	267.024018	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Na"	22.989218
"328994"	256.033047	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+Na"	23.996494
"721668"	378.050447	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+Na"	23.996494
"1475974"	134.015647	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H+Na"	23.996494
"1066666"	89.6795233333333	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2H+Na"	25.00377
"1271746"	277.068286	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+CH3OH+H"	33.033486
"391164"	527.032758	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+K"	38.963158
"753620"	771.067558	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+K"	38.963158
"1554947"	282.997958	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+K"	38.963158
"310293"	264.020017	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+H+K"	39.970434
"705997"	386.037417	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+H+K"	39.970434
"1460309"	142.002617	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H+K"	39.970434
"249152"	530.103426	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+H"	42.033826
"1224059"	286.068626	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+H"	42.033826
"1205756"	143.537951	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+2H"	43.041102
"200815"	533.04076	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na-H"	44.97116
"642806"	777.07556	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na-H"	44.97116
"1145701"	289.00596	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na-H"	44.97116
"180974"	267.024018	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+2Na"	45.978436
"624179"	389.041418	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+2Na"	45.978436
"1125133"	145.006618	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2Na"	45.978436
"1411573"	97.0068373333333	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H+2Na"	46.985712
"1441868"	291.047546	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H+HCOOH"	47.012746
"228281"	272.05704	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+3H2O+2H"	56.04448
"1522176"	305.09959	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+H"	61.06479
"423810"	275.010988	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+Na+K"	61.952376
"781399"	397.028388	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+Na+K"	61.952376
"1678824"	152.993588	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+K"	61.952376
"259876"	552.085368	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+ACN+Na"	64.015768
"1239508"	308.050568	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+ACN+Na"	64.015768
"1722563"	308.074093	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+HCOOH"	64.039293
"1190108"	104.334151333333	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+3Na"	68.967654
"1663659"	313.029488	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+HCOOH"	68.994688
"171248"	564.98864	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K-H"	76.91904
"611777"	809.02344	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K-H"	76.91904
"1099647"	320.95384	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2K-H"	76.91904
"156266"	282.997958	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"2M+2K"	77.926316
"595943"	405.015358	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"3M+2K"	77.926316
"1081673"	160.980558	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2K"	77.926316
"1114396"	322.968392	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2K+H"	78.933592
"1349447"	323.056007	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+DMSO+H"	79.021207
"1015423"	327.095176	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+H"	83.060376
"1535733"	328.088808	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+IsoProp+Na+H"	84.054008
"1004368"	164.051226	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+2ACN+2H"	84.067652
"1601060"	329.003428	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+K+HCOOH"	84.968628
"1428544"	359.034938	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+H+CF3COOH"	115.000138
"1161383"	184.564501	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+3ACN+2H"	125.094202
"1708744"	376.061485	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+NH4+CF3COOH"	132.026685
"1638929"	381.01688	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+Na+CF3COOH"	136.98208
"1574583"	396.99082	"C06369"	"2-Deoxy-D-glucose 6-phosphate"	"C6H13O8P"	"244.0348"	"M+K+CF3COOH"	152.95602
"809324"	707.2484	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M"	0
"989749"	688.23001	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-H2O-H"	-19.01839
"75110"	470.491657333333	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M-3H"	-3.021828
"515764"	706.241124	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M-3H"	-3.021828
"895153"	234.742190666667	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-3H"	-3.021828
"13610"	706.241124	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M-2H"	-2.014552
"447701"	1059.865324	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M-2H"	-2.014552
"823315"	352.616924	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-2H"	-2.014552
"89869"	1413.489524	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M-H"	-1.007276
"531986"	2120.737924	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M-H"	-1.007276
"908329"	706.241124	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-H"	-1.007276
"59422"	1430.516071	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M-2H+NH4"	16.019271
"499831"	2137.764471	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M-2H+NH4"	16.019271
"877142"	723.267671	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-2H+NH4"	16.019271
"41396"	1435.471466	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M-2H+Na"	20.974666
"473303"	2142.719866	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M-2H+Na"	20.974666
"850010"	728.223066	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-2H+Na"	20.974666
"1620635"	728.223066	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Na-2H"	20.974666
"95220"	724.229463	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M-H+Cl"	33.962126
"536726"	1077.853663	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M-H+Cl"	33.962126
"928416"	370.605263	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-H+Cl"	33.962126
"268551"	1449.466202	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+Cl"	34.969402
"660730"	2156.714602	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+Cl"	34.969402
"1282374"	742.217802	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Cl"	34.969402
"24933"	1451.445406	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M-2H+K"	36.948606
"466682"	2158.693806	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M-2H+K"	36.948606
"842300"	744.197006	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-2H+K"	36.948606
"1565786"	744.197006	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+K-2H"	36.948606
"955858"	752.246594	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-H+HCOOH"	44.998194
"372984"	1459.495001	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+HCOOH-H"	44.998201
"355770"	1473.510651	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+Hac-H"	59.013851
"1503148"	766.262251	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Hac-H"	59.013851
"965584"	774.228551	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-H+NaCOOH"	66.980151
"115947"	742.217802	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+2Cl"	69.938804
"557329"	1095.842002	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+2Cl"	69.938804
"1027951"	388.593602	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2Cl"	69.938804
"1249719"	786.167285	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Br"	78.918885
"1312531"	788.223272	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Cl+HCOOH"	80.974872
"1326747"	810.205229	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Cl+NaCOOH"	102.956829
"924369"	820.233986	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M-H+CF3COOH"	112.985586
"1296702"	856.210664	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Cl+CF3COOH"	148.962264
"1375958"	672.235724	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H-2H2O"	-35.012676
"1393090"	690.2457	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H-H2O"	-17.0027
"289861"	1415.504076	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+H"	1.007276
"680095"	2122.752476	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+H"	1.007276
"1356443"	708.255676	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H"	1.007276
"134072"	708.255676	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+2H"	2.014552
"572173"	1061.879876	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+2H"	2.014552
"1046805"	354.631476	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2H"	2.014552
"208873"	472.506209333333	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+3H"	3.021828
"646973"	708.255676	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+3H"	3.021828
"1174221"	236.756742666667	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+3H"	3.021828
"433116"	1432.530623	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+NH4"	18.033823
"795208"	2139.779023	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+NH4"	18.033823
"1690445"	725.282223	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+NH4"	18.033823
"340914"	716.7689495	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+H+NH4"	19.041099
"733333"	1070.3931495	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+H+NH4"	19.041099
"1490436"	363.1447495	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H+NH4"	19.041099
"404743"	1437.486018	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+Na"	22.989218
"769558"	2144.734418	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+Na"	22.989218
"1617983"	730.237618	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Na"	22.989218
"329190"	719.246647	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+H+Na"	23.996494
"721778"	1072.870847	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+H+Na"	23.996494
"1476570"	365.622447	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H+Na"	23.996494
"1066647"	244.084056666667	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2H+Na"	25.00377
"1272093"	740.281886	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+CH3OH+H"	33.033486
"390181"	1453.459958	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+K"	38.963158
"754123"	2160.708358	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+K"	38.963158
"1552138"	746.211558	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+K"	38.963158
"313324"	727.233617	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+H+K"	39.970434
"705746"	1080.857817	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+H+K"	39.970434
"1459930"	373.609417	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H+K"	39.970434
"250001"	1456.530626	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+ACN+H"	42.033826
"1219065"	749.282226	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+ACN+H"	42.033826
"1208053"	375.144751	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+ACN+2H"	43.041102
"200558"	1459.46796	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+2Na-H"	44.97116
"643159"	2166.71636	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+2Na-H"	44.97116
"1145819"	752.21956	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2Na-H"	44.97116
"186550"	730.237618	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+2Na"	45.978436
"626842"	1083.861818	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+2Na"	45.978436
"1126338"	376.613418	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2Na"	45.978436
"1410955"	251.411370666667	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H+2Na"	46.985712
"1436510"	754.261146	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H+HCOOH"	47.012746
"231672"	735.27064	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+3H2O+2H"	56.04448
"1520462"	768.31319	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+IsoProp+H"	61.06479
"422702"	738.224588	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+Na+K"	61.952376
"781509"	1091.848788	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+Na+K"	61.952376
"1678934"	384.600388	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Na+K"	61.952376
"262174"	1478.512568	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+ACN+Na"	64.015768
"1240718"	771.264168	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+ACN+Na"	64.015768
"1726333"	771.287693	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+NH4+HCOOH"	64.039293
"1194155"	258.738684666667	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+3Na"	68.967654
"1665112"	776.243088	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Na+HCOOH"	68.994688
"170267"	1491.41584	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+2K-H"	76.91904
"610918"	2198.66424	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+2K-H"	76.91904
"1098950"	784.16744	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2K-H"	76.91904
"152979"	746.211558	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"2M+2K"	77.926316
"589988"	1099.835758	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"3M+2K"	77.926316
"1079602"	392.587358	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2K"	77.926316
"1112084"	786.181992	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2K+H"	78.933592
"1347733"	786.269607	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+DMSO+H"	79.021207
"1019300"	790.308776	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2ACN+H"	83.060376
"1536575"	791.302408	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+IsoProp+Na+H"	84.054008
"1003025"	395.658026	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+2ACN+2H"	84.067652
"1600079"	792.217028	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+K+HCOOH"	84.968628
"1428655"	822.248538	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+H+CF3COOH"	115.000138
"1162222"	416.171301	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+3ACN+2H"	125.094202
"1701203"	839.275085	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+NH4+CF3COOH"	132.026685
"1647792"	844.23048	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+Na+CF3COOH"	136.98208
"1581256"	860.20442	"C06371"	"Lacto-N-tetraose;beta-D-Gal-(1-3)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-D-Glc"	"C26H45NO21"	"707.2484"	"M+K+CF3COOH"	152.95602
"801900"	383.1428	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M"	0
"978592"	364.12441	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H2O-H"	-19.01839
"67927"	254.421257333333	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-3H"	-3.021828
"505300"	382.135524	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-3H"	-3.021828
"890763"	126.706990666667	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-3H"	-3.021828
"12253"	382.135524	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H"	-2.014552
"451084"	573.706924	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H"	-2.014552
"831447"	190.564124	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H"	-2.014552
"91803"	765.278324	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-H"	-1.007276
"531727"	1148.421124	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-H"	-1.007276
"909892"	382.135524	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H"	-1.007276
"60984"	782.304871	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+NH4"	16.019271
"501273"	1165.447671	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+NH4"	16.019271
"877252"	399.162071	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+NH4"	16.019271
"43329"	787.260266	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+Na"	20.974666
"475600"	1170.403066	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+Na"	20.974666
"853400"	404.117466	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+Na"	20.974666
"1621839"	404.117466	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na-2H"	20.974666
"96181"	400.123863	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-H+Cl"	33.962126
"536836"	591.695263	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-H+Cl"	33.962126
"929256"	208.552463	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+Cl"	33.962126
"268906"	801.255002	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Cl"	34.969402
"660718"	1184.397802	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Cl"	34.969402
"1281391"	418.112202	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl"	34.969402
"25043"	803.234206	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+K"	36.948606
"466792"	1186.377006	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+K"	36.948606
"844596"	420.091406	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+K"	36.948606
"1565167"	420.091406	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K-2H"	36.948606
"955603"	428.140994	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+HCOOH"	44.998194
"372000"	811.283801	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+HCOOH-H"	44.998201
"355880"	825.299451	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Hac-H"	59.013851
"1504351"	442.156651	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Hac-H"	59.013851
"966787"	450.122951	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+NaCOOH"	66.980151
"118973"	418.112202	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Cl"	69.938804
"557803"	609.683602	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Cl"	69.938804
"1030613"	226.540802	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Cl"	69.938804
"1248007"	462.061685	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Br"	78.918885
"1310455"	464.117672	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+HCOOH"	80.974872
"1330138"	486.099629	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+NaCOOH"	102.956829
"920102"	496.128386	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+CF3COOH"	112.985586
"1296811"	532.105064	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+CF3COOH"	148.962264
"1374975"	348.130124	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H-2H2O"	-35.012676
"1393564"	366.1401	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H-H2O"	-17.0027
"289971"	767.292876	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H"	1.007276
"680205"	1150.435676	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H"	1.007276
"1356553"	384.150076	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H"	1.007276
"134182"	384.150076	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2H"	2.014552
"573376"	575.721476	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2H"	2.014552
"1049467"	192.578676	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2H"	2.014552
"208983"	256.435809333333	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+3H"	3.021828
"645990"	384.150076	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+3H"	3.021828
"1174331"	128.721542666667	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3H"	3.021828
"434321"	784.319423	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+NH4"	18.033823
"798234"	1167.462223	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+NH4"	18.033823
"1690555"	401.176623	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4"	18.033823
"343211"	392.6633495	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+NH4"	19.041099
"732351"	584.2347495	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+NH4"	19.041099
"1485078"	201.0919495	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+NH4"	19.041099
"405946"	789.274818	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Na"	22.989218
"769134"	1172.417618	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Na"	22.989218
"1618216"	406.132018	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na"	22.989218
"329216"	395.141047	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+Na"	23.996494
"722298"	586.712447	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+Na"	23.996494
"1476762"	203.569647	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+Na"	23.996494
"1066391"	136.048856666667	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2H+Na"	25.00377
"1272690"	416.176286	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+CH3OH+H"	33.033486
"392763"	805.248758	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+K"	38.963158
"754088"	1188.391558	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+K"	38.963158
"1555410"	422.105958	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K"	38.963158
"311611"	403.128017	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+K"	39.970434
"705126"	594.699417	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+K"	39.970434
"1460973"	211.556617	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+K"	39.970434
"250805"	808.319426	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+H"	42.033826
"1223552"	425.176626	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+H"	42.033826
"1208651"	213.091951	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+2H"	43.041102
"203346"	811.25676	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Na-H"	44.97116
"642416"	1194.39956	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Na-H"	44.97116
"1146050"	428.11396	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Na-H"	44.97116
"187390"	406.132018	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Na"	45.978436
"627075"	597.703418	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Na"	45.978436
"1129366"	214.560618	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Na"	45.978436
"1413868"	143.376170666667	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+2Na"	46.985712
"1437713"	430.155546	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+HCOOH"	47.012746
"234335"	411.16504	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+3H2O+2H"	56.04448
"1523898"	444.20759	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+H"	61.06479
"421719"	414.118988	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Na+K"	61.952376
"783441"	605.690388	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Na+K"	61.952376
"1677951"	222.547588	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+K"	61.952376
"264471"	830.301368	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+Na"	64.015768
"1240099"	447.158568	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+Na"	64.015768
"1726804"	447.182093	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4+HCOOH"	64.039293
"1192896"	150.703484666667	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3Na"	68.967654
"1664976"	452.137488	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+HCOOH"	68.994688
"171836"	843.20464	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2K-H"	76.91904
"611273"	1226.34744	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2K-H"	76.91904
"1098939"	460.06184	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K-H"	76.91904
"152359"	422.105958	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2K"	77.926316
"590463"	613.677358	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2K"	77.926316
"1080806"	230.534558	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K"	77.926316
"1112192"	462.076392	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K+H"	78.933592
"1348206"	462.164007	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+DMSO+H"	79.021207
"1020261"	466.203176	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+H"	83.060376
"1538141"	467.196808	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+Na+H"	84.054008
"1004835"	233.605226	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+2H"	84.067652
"1602252"	468.111428	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K+HCOOH"	84.968628
"1429129"	498.142938	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+CF3COOH"	115.000138
"1153948"	254.118501	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3ACN+2H"	125.094202
"1701313"	515.169485	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4+CF3COOH"	132.026685
"1647902"	520.12488	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+CF3COOH"	136.98208
"1581366"	536.09882	"C06372"	"Lacto-N-biose;beta-D-Gal-(1-3)-D-GlcNAc;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K+CF3COOH"	152.95602
"815379"	301.0563	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M"	0
"985265"	282.03791	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H2O-H"	-19.01839
"70225"	199.696924	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-3H"	-3.021828
"518181"	300.049024	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-3H"	-3.021828
"895414"	99.344824	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-3H"	-3.021828
"12364"	300.049024	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H"	-2.014552
"453389"	450.577174	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H"	-2.014552
"831554"	149.520874	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H"	-2.014552
"93006"	601.105324	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H"	-1.007276
"532932"	902.161624	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H"	-1.007276
"909638"	300.049024	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H"	-1.007276
"60366"	618.131871	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+NH4"	16.019271
"497009"	919.188171	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+NH4"	16.019271
"874082"	317.075571	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+NH4"	16.019271
"39430"	623.087266	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+Na"	20.974666
"474617"	924.143566	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+Na"	20.974666
"852418"	322.030966	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+Na"	20.974666
"1620857"	322.030966	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na-2H"	20.974666
"95199"	318.037363	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H+Cl"	33.962126
"541318"	468.565513	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H+Cl"	33.962126
"930458"	167.509213	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+Cl"	33.962126
"268046"	637.082002	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Cl"	34.969402
"670194"	938.138302	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Cl"	34.969402
"1287705"	336.025702	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl"	34.969402
"30504"	639.061206	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+K"	36.948606
"466906"	940.117506	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+K"	36.948606
"844708"	338.004906	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+K"	36.948606
"1567105"	338.004906	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K-2H"	36.948606
"956813"	346.054494	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+HCOOH"	44.998194
"373203"	647.110801	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+HCOOH-H"	44.998201
"357085"	661.126451	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Hac-H"	59.013851
"1503729"	360.070151	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Hac-H"	59.013851
"969086"	368.036451	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+NaCOOH"	66.980151
"116897"	336.025702	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Cl"	69.938804
"555362"	486.553852	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Cl"	69.938804
"1030729"	185.497552	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Cl"	69.938804
"1249211"	379.975185	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Br"	78.918885
"1313843"	382.031172	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+HCOOH"	80.974872
"1328063"	404.013129	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+NaCOOH"	102.956829
"921309"	414.041886	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+CF3COOH"	112.985586
"1302397"	450.018564	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+CF3COOH"	148.962264
"1377275"	266.043624	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-2H2O"	-35.012676
"1395866"	284.0536	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-H2O"	-17.0027
"292271"	603.119876	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H"	1.007276
"690890"	904.176176	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H"	1.007276
"1362134"	302.063576	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H"	1.007276
"132833"	302.063576	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2H"	2.014552
"570206"	452.591726	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2H"	2.014552
"1043381"	151.535426	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H"	2.014552
"211281"	201.711476	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H"	3.021828
"653765"	302.063576	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+3H"	3.021828
"1172251"	101.359376	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3H"	3.021828
"436622"	620.146423	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+NH4"	18.033823
"795428"	921.202723	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+NH4"	18.033823
"1692859"	319.090123	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4"	18.033823
"337853"	310.5768495	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+NH4"	19.041099
"729179"	461.1049995	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+NH4"	19.041099
"1486282"	160.0486995	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+NH4"	19.041099
"407155"	625.101818	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na"	22.989218
"769928"	926.158118	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na"	22.989218
"1618396"	324.045518	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na"	22.989218
"329570"	313.054547	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+Na"	23.996494
"722777"	463.582697	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+Na"	23.996494
"1476625"	162.526397	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+Na"	23.996494
"1067719"	108.68669	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H+Na"	25.00377
"1272474"	334.089786	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+CH3OH+H"	33.033486
"391859"	641.075758	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+K"	38.963158
"753586"	942.132058	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+K"	38.963158
"1554550"	340.019458	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K"	38.963158
"312816"	321.041517	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+K"	39.970434
"704142"	471.569667	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+K"	39.970434
"1460940"	170.513367	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+K"	39.970434
"249859"	644.146426	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+H"	42.033826
"1224025"	343.090126	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+H"	42.033826
"1208637"	172.048701	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+2H"	43.041102
"202966"	647.08376	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na-H"	44.97116
"643867"	948.14006	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na-H"	44.97116
"1146400"	346.02746	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na-H"	44.97116
"185315"	324.045518	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na"	45.978436
"626942"	474.573668	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na"	45.978436
"1130898"	173.517368	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na"	45.978436
"1406800"	116.014004	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+2Na"	46.985712
"1443655"	348.069046	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+HCOOH"	47.012746
"235338"	329.07854	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H2O+2H"	56.04448
"1522506"	362.12109	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+H"	61.06479
"420735"	332.032488	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na+K"	61.952376
"781729"	482.560638	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na+K"	61.952376
"1680736"	181.504338	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+K"	61.952376
"266526"	666.128368	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+Na"	64.015768
"1240450"	365.072068	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+Na"	64.015768
"1727404"	365.095593	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+HCOOH"	64.039293
"1193360"	123.341318	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3Na"	68.967654
"1665279"	370.050988	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+HCOOH"	68.994688
"172298"	679.03164	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K-H"	76.91904
"609683"	980.08794	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K-H"	76.91904
"1095654"	377.97534	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K-H"	76.91904
"150281"	340.019458	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K"	77.926316
"592394"	490.547608	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K"	77.926316
"1082012"	189.491308	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K"	77.926316
"1108655"	379.989892	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K+H"	78.933592
"1347954"	380.077507	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+DMSO+H"	79.021207
"1020009"	384.116676	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+H"	83.060376
"1538860"	385.110308	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+Na+H"	84.054008
"1004698"	192.561976	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+2H"	84.067652
"1601515"	386.024928	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+HCOOH"	84.968628
"1427052"	416.056438	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+CF3COOH"	115.000138
"1154062"	213.075251	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+3ACN+2H"	125.094202
"1701426"	433.082985	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+CF3COOH"	132.026685
"1642546"	438.03838	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+CF3COOH"	136.98208
"1577102"	454.01232	"C06376"	"N-Acetyl-D-galactosamine 6-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+CF3COOH"	152.95602
"805280"	259.0457	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M"	0
"982093"	240.02731	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H2O-H"	-19.01839
"70335"	171.689857333333	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-3H"	-3.021828
"514274"	258.038424	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-3H"	-3.021828
"893170"	85.3412906666667	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-3H"	-3.021828
"9557"	258.038424	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H"	-2.014552
"453863"	387.561274	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H"	-2.014552
"830205"	128.515574	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H"	-2.014552
"92752"	517.084124	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H"	-1.007276
"531215"	776.129824	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H"	-1.007276
"908653"	258.038424	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H"	-1.007276
"59017"	534.110671	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+NH4"	16.019271
"499671"	793.156371	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+NH4"	16.019271
"875286"	275.064971	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+NH4"	16.019271
"38447"	539.066066	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+Na"	20.974666
"474727"	798.111766	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+Na"	20.974666
"852528"	280.020366	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+Na"	20.974666
"1620967"	280.020366	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na-2H"	20.974666
"94498"	276.026763	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H+Cl"	33.962126
"541428"	405.549613	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H+Cl"	33.962126
"930568"	146.503913	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+Cl"	33.962126
"268035"	553.060802	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Cl"	34.969402
"667025"	812.106502	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Cl"	34.969402
"1287693"	294.015102	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl"	34.969402
"31143"	555.040006	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+K"	36.948606
"467016"	814.085706	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+K"	36.948606
"845911"	295.994306	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+K"	36.948606
"1569401"	295.994306	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K-2H"	36.948606
"957166"	304.043894	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+HCOOH"	44.998194
"374406"	563.089601	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+HCOOH-H"	44.998201
"351727"	577.105251	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Hac-H"	59.013851
"1502746"	318.059551	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Hac-H"	59.013851
"964819"	326.025851	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+NaCOOH"	66.980151
"117007"	294.015102	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Cl"	69.938804
"555108"	423.537952	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Cl"	69.938804
"1030839"	164.492252	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Cl"	69.938804
"1248227"	337.964585	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Br"	78.918885
"1313953"	340.020572	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+HCOOH"	80.974872
"1330355"	362.002529	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+NaCOOH"	102.956829
"921419"	372.031286	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+CF3COOH"	112.985586
"1295940"	408.007964	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+CF3COOH"	148.962264
"1374100"	224.033024	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-2H2O"	-35.012676
"1395245"	242.043	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-H2O"	-17.0027
"293109"	519.098676	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H"	1.007276
"690515"	778.144376	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H"	1.007276
"1360055"	260.052976	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H"	1.007276
"129661"	260.052976	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2H"	2.014552
"568128"	389.575826	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2H"	2.014552
"1043491"	130.530126	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H"	2.014552
"211391"	173.704409333333	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H"	3.021828
"652050"	260.052976	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+3H"	3.021828
"1172361"	87.3558426666667	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3H"	3.021828
"436976"	536.125223	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+NH4"	18.033823
"795538"	795.170923	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+NH4"	18.033823
"1693694"	277.079523	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4"	18.033823
"337963"	268.5662495	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+NH4"	19.041099
"729289"	398.0890995	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+NH4"	19.041099
"1486392"	139.0433995	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+NH4"	19.041099
"406780"	541.080618	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na"	22.989218
"769481"	800.126318	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na"	22.989218
"1617823"	282.034918	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na"	22.989218
"329682"	271.043947	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+Na"	23.996494
"722225"	400.566797	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+Na"	23.996494
"1476900"	141.521097	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+Na"	23.996494
"1064792"	94.6831566666667	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H+Na"	25.00377
"1268656"	292.079186	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+CH3OH+H"	33.033486
"388326"	557.054558	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+K"	38.963158
"751140"	816.100258	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+K"	38.963158
"1549184"	298.008858	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K"	38.963158
"307453"	279.030917	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+K"	39.970434
"694407"	408.553767	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+K"	39.970434
"1461003"	149.508067	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+K"	39.970434
"250093"	560.125226	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+H"	42.033826
"1224381"	301.079526	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+H"	42.033826
"1207289"	151.043401	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+2H"	43.041102
"204252"	563.06256	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na-H"	44.97116
"643966"	822.10826	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na-H"	44.97116
"1146389"	304.01686	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na-H"	44.97116
"186276"	282.034918	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na"	45.978436
"628112"	411.557768	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na"	45.978436
"1131051"	152.512068	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na"	45.978436
"1406910"	102.010470666667	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+2Na"	46.985712
"1444494"	306.058446	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+HCOOH"	47.012746
"234676"	287.06794	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H2O+2H"	56.04448
"1521158"	320.11049	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+H"	61.06479
"419752"	290.021888	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na+K"	61.952376
"780746"	419.544738	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na+K"	61.952376
"1680238"	160.499038	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+K"	61.952376
"266515"	582.107168	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+Na"	64.015768
"1238495"	323.061468	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+Na"	64.015768
"1728428"	323.084993	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+HCOOH"	64.039293
"1192742"	109.337784666667	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3Na"	68.967654
"1664337"	328.040388	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+HCOOH"	68.994688
"171316"	595.01044	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K-H"	76.91904
"609048"	854.05614	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K-H"	76.91904
"1096492"	335.96474	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K-H"	76.91904
"149298"	298.008858	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K"	77.926316
"592868"	427.531708	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K"	77.926316
"1082121"	168.486008	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K"	77.926316
"1111317"	337.979292	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K+H"	78.933592
"1346242"	338.066907	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+DMSO+H"	79.021207
"1019147"	342.106076	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+H"	83.060376
"1538974"	343.099708	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+Na+H"	84.054008
"1004447"	171.556676	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+2H"	84.067652
"1602315"	344.014328	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+HCOOH"	84.968628
"1427161"	374.045838	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+CF3COOH"	115.000138
"1154172"	192.069951	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3ACN+2H"	125.094202
"1701536"	391.072385	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+CF3COOH"	132.026685
"1642656"	396.02778	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+CF3COOH"	136.98208
"1578306"	412.00172	"C06377"	"D-Galactosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+CF3COOH"	152.95602
"803207"	132.0647	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M"	0
"977831"	113.04631	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-H2O-H"	-19.01839
"64983"	87.0358573333333	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M-3H"	-3.021828
"517794"	131.057424	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M-3H"	-3.021828
"892921"	43.0142906666667	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-3H"	-3.021828
"11858"	131.057424	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M-2H"	-2.014552
"451419"	197.089774	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M-2H"	-2.014552
"827034"	65.025074	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-2H"	-2.014552
"91035"	263.122124	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M-H"	-1.007276
"527679"	395.186824	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M-H"	-1.007276
"904387"	131.057424	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-H"	-1.007276
"58033"	280.148671	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M-2H+NH4"	16.019271
"496135"	412.213371	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M-2H+NH4"	16.019271
"876489"	148.083971	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-2H+NH4"	16.019271
"39650"	285.104066	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M-2H+Na"	20.974666
"481397"	417.168766	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M-2H+Na"	20.974666
"855918"	153.039366	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-2H+Na"	20.974666
"1627640"	153.039366	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Na-2H"	20.974666
"109414"	149.045763	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M-H+Cl"	33.962126
"549213"	215.078113	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M-H+Cl"	33.962126
"942242"	83.013413	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-H+Cl"	33.962126
"279945"	299.098802	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+Cl"	34.969402
"674068"	431.163502	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+Cl"	34.969402
"1276266"	167.034102	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Cl"	34.969402
"23196"	301.078006	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M-2H+K"	36.948606
"467130"	433.142706	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M-2H+K"	36.948606
"842746"	169.013306	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-2H+K"	36.948606
"1567328"	169.013306	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+K-2H"	36.948606
"956306"	177.062894	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-H+HCOOH"	44.998194
"373063"	309.127601	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+HCOOH-H"	44.998201
"358039"	323.143251	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+Hac-H"	59.013851
"1505414"	191.078551	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Hac-H"	59.013851
"971861"	199.044851	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-H+NaCOOH"	66.980151
"120403"	167.034102	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+2Cl"	69.938804
"562881"	233.066452	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+2Cl"	69.938804
"1027667"	101.001752	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2Cl"	69.938804
"1249434"	210.983585	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Br"	78.918885
"1308964"	213.039572	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Cl+HCOOH"	80.974872
"1330473"	235.021529	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Cl+NaCOOH"	102.956829
"924812"	245.050286	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M-H+CF3COOH"	112.985586
"1292773"	281.026964	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Cl+CF3COOH"	148.962264
"1369840"	97.052024	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H-2H2O"	-35.012676
"1386607"	115.062	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H-H2O"	-17.0027
"284835"	265.136676	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+H"	1.007276
"677623"	397.201376	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+H"	1.007276
"1360169"	133.071976	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H"	1.007276
"131964"	133.071976	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+2H"	2.014552
"566301"	199.104326	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+2H"	2.014552
"1051876"	67.039626	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2H"	2.014552
"219658"	89.0504093333333	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+3H"	3.021828
"658619"	133.071976	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+3H"	3.021828
"1177106"	45.0288426666667	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+3H"	3.021828
"439041"	282.163223	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+NH4"	18.033823
"799306"	414.227923	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+NH4"	18.033823
"1695880"	150.098523	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+NH4"	18.033823
"345015"	141.5852495	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+H+NH4"	19.041099
"736952"	207.6175995	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+H+NH4"	19.041099
"1489435"	75.5528995	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H+NH4"	19.041099
"404835"	287.118618	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+Na"	22.989218
"766193"	419.183318	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+Na"	22.989218
"1615387"	155.053918	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Na"	22.989218
"327246"	144.062947	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+H+Na"	23.996494
"719668"	210.095297	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+H+Na"	23.996494
"1475673"	78.030597	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H+Na"	23.996494
"1064903"	52.3561566666667	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2H+Na"	25.00377
"1271445"	165.098186	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+CH3OH+H"	33.033486
"385156"	303.092558	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+K"	38.963158
"753529"	435.157258	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+K"	38.963158
"1548217"	171.027858	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+K"	38.963158
"304296"	152.049917	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+H+K"	39.970434
"705466"	218.082267	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+H+K"	39.970434
"1459897"	86.017567	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H+K"	39.970434
"251053"	306.163226	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+ACN+H"	42.033826
"1224733"	174.098526	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+ACN+H"	42.033826
"1208859"	87.552901	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+ACN+2H"	43.041102
"198446"	309.10056	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+2Na-H"	44.97116
"639831"	441.16526	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+2Na-H"	44.97116
"1139327"	177.03586	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2Na-H"	44.97116
"177515"	155.053918	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+2Na"	45.978436
"619991"	221.086268	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+2Na"	45.978436
"1128235"	89.021568	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2Na"	45.978436
"1409207"	59.6834706666667	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H+2Na"	46.985712
"1442905"	179.077446	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H+HCOOH"	47.012746
"234914"	160.08694	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+3H2O+2H"	56.04448
"1522243"	193.12949	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+IsoProp+H"	61.06479
"422051"	163.040888	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+Na+K"	61.952376
"785244"	229.073238	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+Na+K"	61.952376
"1680842"	97.008538	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Na+K"	61.952376
"266634"	328.145168	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+ACN+Na"	64.015768
"1241299"	196.080468	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+ACN+Na"	64.015768
"1728201"	196.103993	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+NH4+HCOOH"	64.039293
"1193711"	67.0107846666667	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+3Na"	68.967654
"1660928"	201.059388	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Na+HCOOH"	68.994688
"168883"	341.04844	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+2K-H"	76.91904
"608080"	473.11314	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+2K-H"	76.91904
"1096236"	208.98374	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2K-H"	76.91904
"154872"	171.027858	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"2M+2K"	77.926316
"592612"	237.060208	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"3M+2K"	77.926316
"1077487"	104.995508	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2K"	77.926316
"1110333"	210.998292	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2K+H"	78.933592
"1346718"	211.085907	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+DMSO+H"	79.021207
"1020351"	215.125076	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2ACN+H"	83.060376
"1537381"	216.118708	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+IsoProp+Na+H"	84.054008
"1002006"	108.066176	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+2ACN+2H"	84.067652
"1601978"	217.033328	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+K+HCOOH"	84.968628
"1421806"	247.064838	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+H+CF3COOH"	115.000138
"1148813"	128.579451	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+3ACN+2H"	125.094202
"1699459"	264.091385	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+NH4+CF3COOH"	132.026685
"1637299"	269.04678	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+Na+CF3COOH"	136.98208
"1574045"	285.02072	"C06381"	"Methylenediurea"	"C3H8N4O2"	"132.0647"	"M+K+CF3COOH"	152.95602
"802345"	133.0487	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M"	0
"980128"	114.03031	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-H2O-H"	-19.01839
"65093"	87.6918573333333	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M-3H"	-3.021828
"518269"	132.041424	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M-3H"	-3.021828
"891207"	43.3422906666667	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-3H"	-3.021828
"14155"	132.041424	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M-2H"	-2.014552
"452622"	198.565774	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M-2H"	-2.014552
"830424"	65.517074	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-2H"	-2.014552
"90416"	265.090124	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M-H"	-1.007276
"531069"	398.138824	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M-H"	-1.007276
"903404"	132.041424	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-H"	-1.007276
"55590"	282.116671	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M-2H+NH4"	16.019271
"497338"	415.165371	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M-2H+NH4"	16.019271
"875140"	149.067971	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-2H+NH4"	16.019271
"37573"	287.072066	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M-2H+Na"	20.974666
"473973"	420.120766	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M-2H+Na"	20.974666
"857121"	154.023366	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-2H+Na"	20.974666
"1624470"	154.023366	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Na-2H"	20.974666
"109037"	150.029763	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M-H+Cl"	33.962126
"548476"	216.554113	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M-H+Cl"	33.962126
"941257"	83.505413	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-H+Cl"	33.962126
"281640"	301.066802	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+Cl"	34.969402
"674181"	434.115502	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+Cl"	34.969402
"1287068"	168.018102	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Cl"	34.969402
"23306"	303.046006	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M-2H+K"	36.948606
"465055"	436.094706	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M-2H+K"	36.948606
"841764"	169.997306	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-2H+K"	36.948606
"1569262"	169.997306	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+K-2H"	36.948606
"956780"	178.046894	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-H+HCOOH"	44.998194
"372442"	311.095601	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+HCOOH-H"	44.998201
"359244"	325.111251	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+Hac-H"	59.013851
"1504794"	192.062551	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Hac-H"	59.013851
"970512"	200.028851	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-H+NaCOOH"	66.980151
"120149"	168.018102	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+2Cl"	69.938804
"562991"	234.542452	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+2Cl"	69.938804
"1027048"	101.493752	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2Cl"	69.938804
"1249544"	211.967585	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Br"	78.918885
"1309438"	214.023572	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Cl+HCOOH"	80.974872
"1330583"	236.005529	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Cl+NaCOOH"	102.956829
"925651"	246.034286	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M-H+CF3COOH"	112.985586
"1292883"	282.010964	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Cl+CF3COOH"	148.962264
"1371042"	98.036024	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H-2H2O"	-35.012676
"1387445"	116.046	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H-H2O"	-17.0027
"284580"	267.104676	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+H"	1.007276
"678462"	400.153376	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+H"	1.007276
"1355175"	134.055976	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H"	1.007276
"132074"	134.055976	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+2H"	2.014552
"566533"	200.580326	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+2H"	2.014552
"1051740"	67.531626	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2H"	2.014552
"219646"	89.7064093333333	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+3H"	3.021828
"659736"	134.055976	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+3H"	3.021828
"1178305"	45.3568426666667	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+3H"	3.021828
"439024"	284.131223	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+NH4"	18.033823
"800023"	417.179923	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+NH4"	18.033823
"1696678"	151.082523	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+NH4"	18.033823
"344757"	142.5692495	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+H+NH4"	19.041099
"738317"	209.0935995	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+H+NH4"	19.041099
"1491856"	76.0448995	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H+NH4"	19.041099
"407739"	289.086618	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+Na"	22.989218
"767396"	422.135318	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+Na"	22.989218
"1616589"	156.037918	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Na"	22.989218
"328570"	145.046947	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+H+Na"	23.996494
"721235"	211.571297	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+H+Na"	23.996494
"1476716"	78.522597	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H+Na"	23.996494
"1067576"	52.6841566666667	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2H+Na"	25.00377
"1272528"	166.082186	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+CH3OH+H"	33.033486
"385266"	305.060558	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+K"	38.963158
"753761"	438.109258	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+K"	38.963158
"1545046"	172.011858	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+K"	38.963158
"309875"	153.033917	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+H+K"	39.970434
"700110"	219.558267	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+H+K"	39.970434
"1455024"	86.509567	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H+K"	39.970434
"250431"	308.131226	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+ACN+H"	42.033826
"1223747"	175.082526	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+ACN+H"	42.033826
"1207510"	88.044901	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+ACN+2H"	43.041102
"200016"	311.06856	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+2Na-H"	44.97116
"642737"	444.11726	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+2Na-H"	44.97116
"1139437"	178.01986	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2Na-H"	44.97116
"178355"	156.037918	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+2Na"	45.978436
"625204"	222.562268	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+2Na"	45.978436
"1128345"	89.513568	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2Na"	45.978436
"1411140"	60.0114706666667	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H+2Na"	46.985712
"1443501"	180.061446	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H+HCOOH"	47.012746
"235027"	161.07094	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+3H2O+2H"	56.04448
"1522967"	194.11349	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+IsoProp+H"	61.06479
"421797"	164.024888	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+Na+K"	61.952376
"784993"	230.549238	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+Na+K"	61.952376
"1681118"	97.500538	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Na+K"	61.952376
"266260"	330.113168	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+ACN+Na"	64.015768
"1240800"	197.064468	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+ACN+Na"	64.015768
"1727985"	197.087993	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+NH4+HCOOH"	64.039293
"1193579"	67.3387846666667	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+3Na"	68.967654
"1661402"	202.043388	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Na+HCOOH"	68.994688
"168627"	343.01644	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+2K-H"	76.91904
"609647"	476.06514	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+2K-H"	76.91904
"1095980"	209.96774	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2K-H"	76.91904
"153524"	172.011858	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"2M+2K"	77.926316
"590899"	238.536208	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"3M+2K"	77.926316
"1078327"	105.487508	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2K"	77.926316
"1109349"	211.982292	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2K+H"	78.933592
"1350108"	212.069907	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+DMSO+H"	79.021207
"1020829"	216.109076	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2ACN+H"	83.060376
"1537126"	217.102708	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+IsoProp+Na+H"	84.054008
"1003210"	108.558176	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+2ACN+2H"	84.067652
"1600265"	218.017328	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+K+HCOOH"	84.968628
"1419730"	248.048838	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+H+CF3COOH"	115.000138
"1148923"	129.071451	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+3ACN+2H"	125.094202
"1699569"	265.075385	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+NH4+CF3COOH"	132.026685
"1635222"	270.03078	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+Na+CF3COOH"	136.98208
"1575248"	286.00472	"C06382"	"N-(Carboxyaminomethyl)urea"	"C3H7N3O3"	"133.0487"	"M+K+CF3COOH"	152.95602
"802698"	89.0589	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M"	0
"978051"	70.04051	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-H2O-H"	-19.01839
"65203"	58.365324	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M-3H"	-3.021828
"516798"	88.051624	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M-3H"	-3.021828
"892776"	28.679024	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-3H"	-3.021828
"9890"	88.051624	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M-2H"	-2.014552
"451639"	132.581074	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M-2H"	-2.014552
"827253"	43.522174	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-2H"	-2.014552
"87245"	177.110524	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M-H"	-1.007276
"527898"	266.169424	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M-H"	-1.007276
"904607"	88.051624	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-H"	-1.007276
"54607"	194.137071	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M-2H+NH4"	16.019271
"499634"	283.195971	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M-2H+NH4"	16.019271
"871969"	105.078171	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-2H+NH4"	16.019271
"39869"	199.092466	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M-2H+Na"	20.974666
"475055"	288.151366	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M-2H+Na"	20.974666
"857231"	110.033566	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-2H+Na"	20.974666
"1622392"	110.033566	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Na-2H"	20.974666
"100018"	106.039963	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M-H+Cl"	33.962126
"549357"	150.569413	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M-H+Cl"	33.962126
"942586"	61.510513	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-H+Cl"	33.962126
"282078"	213.087202	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+Cl"	34.969402
"674291"	302.146102	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+Cl"	34.969402
"1287907"	124.028302	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Cl"	34.969402
"23416"	215.066406	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M-2H+K"	36.948606
"465166"	304.125306	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M-2H+K"	36.948606
"842967"	126.007506	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-2H+K"	36.948606
"1569375"	126.007506	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+K-2H"	36.948606
"956890"	134.057094	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-H+HCOOH"	44.998194
"373645"	223.116001	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+HCOOH-H"	44.998201
"358989"	237.131651	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+Hac-H"	59.013851
"1504903"	148.072751	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Hac-H"	59.013851
"970621"	156.039051	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-H+NaCOOH"	66.980151
"120623"	124.028302	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+2Cl"	69.938804
"562736"	168.557752	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+2Cl"	69.938804
"1026794"	79.498852	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2Cl"	69.938804
"1251841"	167.977785	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Br"	78.918885
"1311007"	170.033772	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Cl+HCOOH"	80.974872
"1331786"	192.015729	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Cl+NaCOOH"	102.956829
"923575"	202.044486	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M-H+CF3COOH"	112.985586
"1292993"	238.021164	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Cl+CF3COOH"	148.962264
"1371152"	54.046224	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H-2H2O"	-35.012676
"1387191"	72.0562	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H-H2O"	-17.0027
"285418"	179.125076	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+H"	1.007276
"678572"	268.183976	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+H"	1.007276
"1354556"	90.066176	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H"	1.007276
"126227"	90.066176	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+2H"	2.014552
"569558"	134.595626	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+2H"	2.014552
"1052418"	45.536726	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2H"	2.014552
"219514"	60.379876	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+3H"	3.021828
"659195"	90.066176	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+3H"	3.021828
"1175616"	30.693576	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+3H"	3.021828
"437069"	196.151623	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+NH4"	18.033823
"798796"	285.210523	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+NH4"	18.033823
"1695861"	107.092723	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+NH4"	18.033823
"345642"	98.5794495	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+H+NH4"	19.041099
"738018"	143.1088995	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+H+NH4"	19.041099
"1492369"	54.0499995	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H+NH4"	19.041099
"408172"	201.107018	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+Na"	22.989218
"766414"	290.165918	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+Na"	22.989218
"1616698"	112.048118	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Na"	22.989218
"325640"	101.057147	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+H+Na"	23.996494
"720976"	145.586597	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+H+Na"	23.996494
"1475162"	56.527697	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H+Na"	23.996494
"1067679"	38.02089	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2H+Na"	25.00377
"1270084"	122.092386	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+CH3OH+H"	33.033486
"384283"	217.080958	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+K"	38.963158
"753990"	306.139858	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+K"	38.963158
"1542604"	128.022058	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+K"	38.963158
"311080"	109.044117	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+H+K"	39.970434
"696940"	153.573567	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+H+K"	39.970434
"1451854"	64.514667	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H+K"	39.970434
"249204"	220.151626	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+ACN+H"	42.033826
"1223369"	131.092726	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+ACN+H"	42.033826
"1207254"	66.050001	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+ACN+2H"	43.041102
"201580"	223.08896	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+2Na-H"	44.97116
"642237"	312.14786	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+2Na-H"	44.97116
"1142463"	134.03006	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2Na-H"	44.97116
"177006"	112.048118	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+2Na"	45.978436
"624585"	156.577568	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+2Na"	45.978436
"1125539"	67.518668	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2Na"	45.978436
"1410521"	45.348204	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H+2Na"	46.985712
"1438993"	136.071646	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H+HCOOH"	47.012746
"234282"	117.08114	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+3H2O+2H"	56.04448
"1522099"	150.12369	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+IsoProp+H"	61.06479
"420084"	120.035088	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+Na+K"	61.952376
"784864"	164.564538	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+Na+K"	61.952376
"1681022"	75.505638	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Na+K"	61.952376
"266733"	242.133568	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+ACN+Na"	64.015768
"1240664"	153.074668	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+ACN+Na"	64.015768
"1727612"	153.098193	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+NH4+HCOOH"	64.039293
"1193081"	52.675518	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+3Na"	68.967654
"1660419"	158.053588	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Na+HCOOH"	68.994688
"169100"	255.03684	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+2K-H"	76.91904
"607934"	344.09574	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+2K-H"	76.91904
"1092809"	165.97794	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2K-H"	76.91904
"154731"	128.022058	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"2M+2K"	77.926316
"591007"	172.551508	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"3M+2K"	77.926316
"1080258"	83.492608	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2K"	77.926316
"1109459"	167.992492	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2K+H"	78.933592
"1346209"	168.080107	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+DMSO+H"	79.021207
"1019843"	172.119276	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2ACN+H"	83.060376
"1537236"	173.112908	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+IsoProp+Na+H"	84.054008
"1001859"	86.563276	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+2ACN+2H"	84.067652
"1599644"	174.027528	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+K+HCOOH"	84.968628
"1419840"	204.059038	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+H+CF3COOH"	115.000138
"1149033"	107.076551	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+3ACN+2H"	125.094202
"1700772"	221.085585	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+NH4+CF3COOH"	132.026685
"1635332"	226.04098	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+Na+CF3COOH"	136.98208
"1576452"	242.01492	"C06383"	"N-(Aminomethyl)urea"	"C2H7N3O"	"89.0589"	"M+K+CF3COOH"	152.95602
"802444"	90.0429	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M"	0
"978161"	71.02451	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-H2O-H"	-19.01839
"63610"	59.021324	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M-3H"	-3.021828
"515813"	89.035624	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M-3H"	-3.021828
"891427"	29.007024	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-3H"	-3.021828
"7813"	89.035624	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M-2H"	-2.014552
"449561"	134.057074	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M-2H"	-2.014552
"827363"	44.014174	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-2H"	-2.014552
"87355"	179.078524	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M-H"	-1.007276
"528008"	269.121424	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M-H"	-1.007276
"904717"	89.035624	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-H"	-1.007276
"54717"	196.105071	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M-2H+NH4"	16.019271
"498651"	286.147971	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M-2H+NH4"	16.019271
"874265"	106.062171	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-2H+NH4"	16.019271
"42165"	201.060466	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M-2H+Na"	20.974666
"475165"	291.103366	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M-2H+Na"	20.974666
"857341"	111.017566	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-2H+Na"	20.974666
"1622502"	111.017566	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Na-2H"	20.974666
"100128"	107.023963	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M-H+Cl"	33.962126
"549415"	152.045413	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M-H+Cl"	33.962126
"936487"	62.002513	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-H+Cl"	33.962126
"282802"	215.055202	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+Cl"	34.969402
"674643"	305.098102	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+Cl"	34.969402
"1288250"	125.012302	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Cl"	34.969402
"25715"	217.034406	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M-2H+K"	36.948606
"464182"	307.077306	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M-2H+K"	36.948606
"841984"	126.991506	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-2H+K"	36.948606
"1567657"	126.991506	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+K-2H"	36.948606
"956635"	135.041094	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-H+HCOOH"	44.998194
"372662"	225.084001	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+HCOOH-H"	44.998201
"359221"	239.099651	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+Hac-H"	59.013851
"1505376"	149.056751	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Hac-H"	59.013851
"968544"	157.023051	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-H+NaCOOH"	66.980151
"121826"	125.012302	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+2Cl"	69.938804
"562482"	170.033752	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+2Cl"	69.938804
"1029090"	79.990852	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2Cl"	69.938804
"1251951"	168.961785	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Br"	78.918885
"1313303"	171.017772	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Cl+HCOOH"	80.974872
"1329709"	192.999729	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Cl+NaCOOH"	102.956829
"921862"	203.028486	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M-H+CF3COOH"	112.985586
"1294196"	239.005164	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Cl+CF3COOH"	148.962264
"1370898"	55.030224	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H-2H2O"	-35.012676
"1386573"	73.0402	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H-H2O"	-17.0027
"286621"	181.093076	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+H"	1.007276
"678682"	271.135976	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+H"	1.007276
"1355031"	91.050176	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H"	1.007276
"127065"	91.050176	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+2H"	2.014552
"571854"	136.071626	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+2H"	2.014552
"1048311"	46.028726	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2H"	2.014552
"218767"	61.035876	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+3H"	3.021828
"658694"	91.050176	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+3H"	3.021828
"1174995"	31.021576	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+3H"	3.021828
"437908"	198.119623	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+NH4"	18.033823
"796720"	288.162523	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+NH4"	18.033823
"1691232"	108.076723	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+NH4"	18.033823
"343884"	99.5634495	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+H+NH4"	19.041099
"736671"	144.5848995	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+H+NH4"	19.041099
"1489032"	54.5419995	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H+NH4"	19.041099
"405161"	203.075018	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+Na"	22.989218
"766158"	293.117918	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+Na"	22.989218
"1613526"	113.032118	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Na"	22.989218
"323562"	102.041147	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+H+Na"	23.996494
"714892"	147.062597	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+H+Na"	23.996494
"1474177"	57.019697	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H+Na"	23.996494
"1065964"	38.34889	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2H+Na"	25.00377
"1269830"	123.076386	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+CH3OH+H"	33.033486
"383300"	219.048958	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+K"	38.963158
"753046"	309.091858	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+K"	38.963158
"1543442"	129.006058	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+K"	38.963158
"305721"	110.028117	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+H+K"	39.970434
"698143"	155.049567	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+H+K"	39.970434
"1453057"	65.006667	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H+K"	39.970434
"247126"	222.119626	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+ACN+H"	42.033826
"1219833"	132.076726	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+ACN+H"	42.033826
"1203718"	66.542001	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+ACN+2H"	43.041102
"200597"	225.05696	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+2Na-H"	44.97116
"638702"	315.09986	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+2Na-H"	44.97116
"1140750"	135.01406	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2Na-H"	44.97116
"174322"	113.032118	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+2Na"	45.978436
"619228"	158.053568	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+2Na"	45.978436
"1122733"	68.010668	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2Na"	45.978436
"1409538"	45.676204	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H+2Na"	46.985712
"1438374"	137.055646	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H+HCOOH"	47.012746
"233904"	118.06514	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+3H2O+2H"	56.04448
"1520143"	151.10769	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+IsoProp+H"	61.06479
"419101"	121.019088	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+Na+K"	61.952376
"784969"	166.040538	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+Na+K"	61.952376
"1680926"	75.997638	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Na+K"	61.952376
"266807"	244.101568	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+ACN+Na"	64.015768
"1240654"	154.058668	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+ACN+Na"	64.015768
"1727716"	154.082193	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+NH4+HCOOH"	64.039293
"1192824"	53.003518	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+3Na"	68.967654
"1660892"	159.037588	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Na+HCOOH"	68.994688
"166659"	257.00484	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+2K-H"	76.91904
"609501"	347.04774	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+2K-H"	76.91904
"1094012"	166.96194	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2K-H"	76.91904
"154476"	129.006058	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"2M+2K"	77.926316
"590388"	174.027508	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"3M+2K"	77.926316
"1080368"	83.984608	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2K"	77.926316
"1109934"	168.976492	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2K+H"	78.933592
"1346683"	169.064107	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+DMSO+H"	79.021207
"1019832"	173.103276	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2ACN+H"	83.060376
"1536616"	174.096908	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+IsoProp+Na+H"	84.054008
"1000874"	87.055276	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+2ACN+2H"	84.067652
"1599753"	175.011528	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+K+HCOOH"	84.968628
"1419950"	205.043038	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+H+CF3COOH"	115.000138
"1149143"	107.568551	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+3ACN+2H"	125.094202
"1700153"	222.069585	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+NH4+CF3COOH"	132.026685
"1634384"	227.02498	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+Na+CF3COOH"	136.98208
"1577655"	242.99892	"C06384"	"N-(Hydroxymethyl)urea"	"C2H6N2O2"	"90.0429"	"M+K+CF3COOH"	152.95602
"812395"	204.0971	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M"	0
"982648"	185.07871	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-H2O-H"	-19.01839
"71984"	135.057457333333	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M-3H"	-3.021828
"518404"	203.089824	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M-3H"	-3.021828
"895511"	67.0250906666667	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-3H"	-3.021828
"15381"	203.089824	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M-2H"	-2.014552
"455387"	305.138374	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M-2H"	-2.014552
"829661"	101.041274	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-2H"	-2.014552
"86373"	407.186924	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M-H"	-1.007276
"531035"	611.284024	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M-H"	-1.007276
"907016"	203.089824	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-H"	-1.007276
"55921"	424.213471	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M-2H+NH4"	16.019271
"496575"	628.310571	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M-2H+NH4"	16.019271
"874375"	220.116371	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-2H+NH4"	16.019271
"42275"	429.168866	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M-2H+Na"	20.974666
"475275"	633.265966	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M-2H+Na"	20.974666
"857451"	225.071766	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-2H+Na"	20.974666
"1621518"	225.071766	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Na-2H"	20.974666
"95131"	221.078163	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M-H+Cl"	33.962126
"545996"	323.126713	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M-H+Cl"	33.962126
"937688"	119.029613	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-H+Cl"	33.962126
"282827"	443.163602	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+Cl"	34.969402
"675160"	647.260702	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+Cl"	34.969402
"1288366"	239.066502	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Cl"	34.969402
"31316"	445.142806	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M-2H+K"	36.948606
"468666"	649.239906	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M-2H+K"	36.948606
"846468"	241.045706	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-2H+K"	36.948606
"1570805"	241.045706	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+K-2H"	36.948606
"956742"	249.095294	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-H+HCOOH"	44.998194
"376052"	453.192401	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+HCOOH-H"	44.998201
"360061"	467.208051	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+Hac-H"	59.013851
"1506946"	263.110951	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Hac-H"	59.013851
"972300"	271.077251	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-H+NaCOOH"	66.980151
"124858"	239.066502	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+2Cl"	69.938804
"562957"	341.115052	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+2Cl"	69.938804
"1029202"	137.017952	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2Cl"	69.938804
"1253885"	283.015985	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Br"	78.918885
"1314510"	285.071972	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Cl+HCOOH"	80.974872
"1334194"	307.053929	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Cl+NaCOOH"	102.956829
"916505"	317.082686	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M-H+CF3COOH"	112.985586
"1296493"	353.059364	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Cl+CF3COOH"	148.962264
"1372467"	169.084424	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H-2H2O"	-35.012676
"1386683"	187.0944	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H-H2O"	-17.0027
"285275"	409.201476	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+H"	1.007276
"679885"	613.298576	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+H"	1.007276
"1359515"	205.104376	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H"	1.007276
"129123"	205.104376	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+2H"	2.014552
"576340"	307.152926	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+2H"	2.014552
"1048421"	103.055826	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2H"	2.014552
"218877"	137.072009333333	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+3H"	3.021828
"655886"	205.104376	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+3H"	3.021828
"1172918"	69.0396426666667	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+3H"	3.021828
"439235"	426.228023	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+NH4"	18.033823
"800843"	630.325123	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+NH4"	18.033823
"1695350"	222.130923	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+NH4"	18.033823
"344845"	213.6176495	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+H+NH4"	19.041099
"737509"	315.6661995	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+H+NH4"	19.041099
"1490967"	111.5690995	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H+NH4"	19.041099
"407704"	431.183418	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+Na"	22.989218
"769185"	635.280518	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+Na"	22.989218
"1615823"	227.086318	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Na"	22.989218
"323673"	216.095347	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+H+Na"	23.996494
"719740"	318.143897	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+H+Na"	23.996494
"1473924"	114.046797	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H+Na"	23.996494
"1068103"	76.3669566666667	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2H+Na"	25.00377
"1272007"	237.130586	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+CH3OH+H"	33.033486
"388875"	447.157358	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+K"	38.963158
"753887"	651.254458	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+K"	38.963158
"1540758"	243.060258	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+K"	38.963158
"308018"	224.082317	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+H+K"	39.970434
"701898"	326.130867	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+H+K"	39.970434
"1455353"	122.033767	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H+K"	39.970434
"247602"	450.228026	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+ACN+H"	42.033826
"1223227"	246.130926	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+ACN+H"	42.033826
"1202734"	123.569101	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+ACN+2H"	43.041102
"199615"	453.16536	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+2Na-H"	44.97116
"639907"	657.26246	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+2Na-H"	44.97116
"1136488"	249.06826	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2Na-H"	44.97116
"178685"	227.086318	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+2Na"	45.978436
"617151"	329.134868	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+2Na"	45.978436
"1122844"	125.037768	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2Na"	45.978436
"1408555"	83.6942706666667	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H+2Na"	46.985712
"1438484"	251.109846	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H+HCOOH"	47.012746
"234014"	232.11934	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+3H2O+2H"	56.04448
"1520617"	265.16189	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+IsoProp+H"	61.06479
"421033"	235.073288	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+Na+K"	61.952376
"784957"	337.121838	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+Na+K"	61.952376
"1681053"	133.024738	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Na+K"	61.952376
"267057"	472.209968	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+ACN+Na"	64.015768
"1241209"	268.112868	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+ACN+Na"	64.015768
"1728238"	268.136393	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+NH4+HCOOH"	64.039293
"1193950"	91.0215846666667	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+3Na"	68.967654
"1661002"	273.091788	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Na+HCOOH"	68.994688
"166769"	485.11324	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+2K-H"	76.91904
"606330"	689.21034	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+2K-H"	76.91904
"1095218"	281.01614	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2K-H"	76.91904
"154224"	243.060258	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"2M+2K"	77.926316
"591229"	345.108808	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"3M+2K"	77.926316
"1080479"	141.011708	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2K"	77.926316
"1113691"	283.030692	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2K+H"	78.933592
"1349714"	283.118307	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+DMSO+H"	79.021207
"1020066"	287.157476	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2ACN+H"	83.060376
"1538798"	288.151108	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+IsoProp+Na+H"	84.054008
"1003174"	144.082376	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+2ACN+2H"	84.067652
"1599866"	289.065728	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+K+HCOOH"	84.968628
"1422246"	319.097238	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+H+CF3COOH"	115.000138
"1150346"	164.595651	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+3ACN+2H"	125.094202
"1700263"	336.123785	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+NH4+CF3COOH"	132.026685
"1635186"	341.07918	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+Na+CF3COOH"	136.98208
"1577765"	357.05312	"C06385"	"Dimethylenetriurea"	"C5H12N6O3"	"204.0971"	"M+K+CF3COOH"	152.95602
"801692"	276.1295	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M"	0
"981666"	257.11111	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-H2O-H"	-19.01839
"68815"	183.079057333333	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M-3H"	-3.021828
"516767"	275.122224	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M-3H"	-3.021828
"894203"	91.0358906666667	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-3H"	-3.021828
"13870"	275.122224	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M-2H"	-2.014552
"455457"	413.186974	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M-2H"	-2.014552
"830869"	137.057474	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-2H"	-2.014552
"91952"	551.251724	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M-H"	-1.007276
"526042"	827.381224	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M-H"	-1.007276
"900562"	275.122224	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-H"	-1.007276
"51657"	568.278271	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M-2H+NH4"	16.019271
"492312"	844.407771	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M-2H+NH4"	16.019271
"871208"	292.148771	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-2H+NH4"	16.019271
"43118"	573.233666	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M-2H+Na"	20.974666
"480855"	849.363166	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M-2H+Na"	20.974666
"858658"	297.104166	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-2H+Na"	20.974666
"1621630"	297.104166	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Na-2H"	20.974666
"95972"	293.110563	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M-H+Cl"	33.962126
"542096"	431.175313	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M-H+Cl"	33.962126
"937800"	155.045813	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-H+Cl"	33.962126
"278547"	587.228402	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+Cl"	34.969402
"673160"	863.357902	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+Cl"	34.969402
"1286535"	311.098902	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Cl"	34.969402
"29215"	589.207606	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M-2H+K"	36.948606
"465496"	865.337106	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M-2H+K"	36.948606
"842201"	313.078106	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-2H+K"	36.948606
"1566784"	313.078106	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+K-2H"	36.948606
"956852"	321.127694	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-H+HCOOH"	44.998194
"373610"	597.257201	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+HCOOH-H"	44.998201
"359684"	611.272851	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+Hac-H"	59.013851
"1504870"	335.143351	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Hac-H"	59.013851
"969856"	343.109651	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-H+NaCOOH"	66.980151
"123506"	311.098902	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+2Cl"	69.938804
"562705"	449.163652	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+2Cl"	69.938804
"1033690"	173.034152	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2Cl"	69.938804
"1252171"	355.048385	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Br"	78.918885
"1316807"	357.104372	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Cl+HCOOH"	80.974872
"1331024"	379.086329	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Cl+NaCOOH"	102.956829
"918802"	389.115086	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M-H+CF3COOH"	112.985586
"1295510"	425.091764	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Cl+CF3COOH"	148.962264
"1375859"	241.116824	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H-2H2O"	-35.012676
"1394451"	259.1268	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H-H2O"	-17.0027
"294136"	553.266276	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+H"	1.007276
"685463"	829.395776	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+H"	1.007276
"1362907"	277.136776	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H"	1.007276
"135796"	277.136776	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+2H"	2.014552
"575357"	415.201526	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+2H"	2.014552
"1044156"	139.072026	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2H"	2.014552
"219479"	185.093609333333	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+3H"	3.021828
"659688"	277.136776	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+3H"	3.021828
"1177530"	93.0504426666667	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+3H"	3.021828
"438859"	570.292823	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+NH4"	18.033823
"800709"	846.422323	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+NH4"	18.033823
"1694733"	294.163323	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+NH4"	18.033823
"344474"	285.6500495	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+H+NH4"	19.041099
"736773"	423.7147995	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+H+NH4"	19.041099
"1490716"	147.5852995	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H+NH4"	19.041099
"406841"	575.248218	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+Na"	22.989218
"767838"	851.377718	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+Na"	22.989218
"1616664"	299.118718	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Na"	22.989218
"326698"	288.127747	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+H+Na"	23.996494
"720214"	426.192497	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+H+Na"	23.996494
"1475128"	150.062997	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H+Na"	23.996494
"1068089"	100.377756666667	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2H+Na"	25.00377
"1269688"	309.162986	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+CH3OH+H"	33.033486
"391180"	591.222158	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+K"	38.963158
"751448"	867.351658	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+K"	38.963158
"1545489"	315.092658	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+K"	38.963158
"308128"	296.114717	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+H+K"	39.970434
"698364"	434.179467	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+H+K"	39.970434
"1453277"	158.049967	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H+K"	39.970434
"244067"	594.292826	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+ACN+H"	42.033826
"1212767"	318.163326	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+ACN+H"	42.033826
"1199563"	159.585301	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+ACN+2H"	43.041102
"195716"	597.23016	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+2Na-H"	44.97116
"633090"	873.35966	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+2Na-H"	44.97116
"1132588"	321.10066	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2Na-H"	44.97116
"179888"	299.118718	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+2Na"	45.978436
"626011"	437.183468	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+2Na"	45.978436
"1130976"	161.053968	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2Na"	45.978436
"1414124"	107.705070666667	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H+2Na"	46.985712
"1445474"	323.142246	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H+HCOOH"	47.012746
"234854"	304.15174	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+3H2O+2H"	56.04448
"1521821"	337.19429	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+IsoProp+H"	61.06479
"424199"	307.105688	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+Na+K"	61.952376
"785501"	445.170438	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+Na+K"	61.952376
"1681078"	169.040938	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Na+K"	61.952376
"267089"	616.274768	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+ACN+Na"	64.015768
"1241227"	340.145268	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+ACN+Na"	64.015768
"1728373"	340.168793	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+NH4+HCOOH"	64.039293
"1193404"	115.032384666667	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+3Na"	68.967654
"1660021"	345.124188	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Na+HCOOH"	68.994688
"165787"	629.17804	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+2K-H"	76.91904
"605349"	905.30754	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+2K-H"	76.91904
"1094236"	353.04854	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2K-H"	76.91904
"147773"	315.092658	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"2M+2K"	77.926316
"591340"	453.157408	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"3M+2K"	77.926316
"1080955"	177.027908	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2K"	77.926316
"1115021"	355.063092	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2K+H"	78.933592
"1349700"	355.150707	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+DMSO+H"	79.021207
"1020056"	359.189876	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2ACN+H"	83.060376
"1538546"	360.183508	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+IsoProp+Na+H"	84.054008
"1004017"	180.098576	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+2ACN+2H"	84.067652
"1602411"	361.098128	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+K+HCOOH"	84.968628
"1424542"	391.129638	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+H+CF3COOH"	115.000138
"1152643"	200.611851	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+3ACN+2H"	125.094202
"1701102"	408.156185	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+NH4+CF3COOH"	132.026685
"1635048"	413.11158	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+Na+CF3COOH"	136.98208
"1577875"	429.08552	"C06386"	"Trimethylenetetraurea"	"C7H16N8O4"	"276.1295"	"M+K+CF3COOH"	152.95602
"803139"	905.1025	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M"	0
"981776"	886.08411	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-H2O-H"	-19.01839
"68925"	602.394390666667	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M-3H"	-3.021828
"517732"	904.095224	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M-3H"	-3.021828
"894888"	300.693557333333	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-3H"	-3.021828
"14955"	904.095224	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M-2H"	-2.014552
"455370"	1356.646474	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M-2H"	-2.014552
"832199"	451.543974	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-2H"	-2.014552
"90968"	1809.197724	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M-H"	-1.007276
"525059"	2714.300224	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M-H"	-1.007276
"899579"	904.095224	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-H"	-1.007276
"50674"	1826.224271	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M-2H+NH4"	16.019271
"491329"	2731.326771	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M-2H+NH4"	16.019271
"873504"	921.121771	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-2H+NH4"	16.019271
"42133"	1831.179666	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M-2H+Na"	20.974666
"480965"	2736.282166	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M-2H+Na"	20.974666
"858404"	926.077166	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-2H+Na"	20.974666
"1625020"	926.077166	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Na-2H"	20.974666
"96082"	922.083563	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M-H+Cl"	33.962126
"538195"	1374.634813	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M-H+Cl"	33.962126
"932805"	469.532313	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-H+Cl"	33.962126
"277562"	1845.174402	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+Cl"	34.969402
"674121"	2750.276902	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+Cl"	34.969402
"1287497"	940.071902	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Cl"	34.969402
"28231"	1847.153606	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M-2H+K"	36.948606
"464511"	2752.256106	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M-2H+K"	36.948606
"843406"	942.051106	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-2H+K"	36.948606
"1565798"	942.051106	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+K-2H"	36.948606
"952588"	950.100694	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-H+HCOOH"	44.998194
"373719"	1855.203201	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+HCOOH-H"	44.998201
"356877"	1869.218851	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+Hac-H"	59.013851
"1503523"	964.116351	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Hac-H"	59.013851
"969602"	972.082651	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-H+NaCOOH"	66.980151
"123980"	940.071902	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+2Cl"	69.938804
"565366"	1392.623152	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+2Cl"	69.938804
"1036353"	487.520652	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2Cl"	69.938804
"1256974"	984.021385	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Br"	78.918885
"1313636"	986.077372	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Cl+HCOOH"	80.974872
"1328946"	1008.059329	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Cl+NaCOOH"	102.956829
"918911"	1018.088086	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M-H+CF3COOH"	112.985586
"1293433"	1054.064764	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Cl+CF3COOH"	148.962264
"1375969"	870.089824	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H-2H2O"	-35.012676
"1397925"	888.0998	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H-H2O"	-17.0027
"297163"	1811.212276	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+H"	1.007276
"684480"	2716.314776	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+H"	1.007276
"1360831"	906.109776	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H"	1.007276
"138092"	906.109776	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+2H"	2.014552
"576560"	1358.661026	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+2H"	2.014552
"1045359"	453.558526	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2H"	2.014552
"215454"	604.408942666667	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+3H"	3.021828
"657932"	906.109776	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+3H"	3.021828
"1177150"	302.708109333333	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+3H"	3.021828
"437510"	1828.238823	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+NH4"	18.033823
"800332"	2733.341323	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+NH4"	18.033823
"1693750"	923.136323	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+NH4"	18.033823
"343128"	914.6230495	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+H+NH4"	19.041099
"737002"	1367.1742995	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+H+NH4"	19.041099
"1490823"	462.0717995	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H+NH4"	19.041099
"406221"	1833.194218	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+Na"	22.989218
"766852"	2738.296718	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+Na"	22.989218
"1615681"	928.091718	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Na"	22.989218
"328023"	917.100747	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+H+Na"	23.996494
"721416"	1369.651997	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+H+Na"	23.996494
"1476089"	464.549497	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H+Na"	23.996494
"1067387"	310.035423333333	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2H+Na"	25.00377
"1268334"	938.135986	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+CH3OH+H"	33.033486
"392017"	1849.168158	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+K"	38.963158
"750828"	2754.270658	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+K"	38.963158
"1545599"	944.065658	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+K"	38.963158
"309332"	925.087717	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+H+K"	39.970434
"702847"	1377.638967	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+H+K"	39.970434
"1458126"	472.536467	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H+K"	39.970434
"248916"	1852.238826	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+ACN+H"	42.033826
"1215793"	947.136326	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+ACN+H"	42.033826
"1199675"	474.071801	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+ACN+2H"	43.041102
"201659"	1855.17616	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+2Na-H"	44.97116
"633201"	2760.27866	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+2Na-H"	44.97116
"1135614"	950.07366	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2Na-H"	44.97116
"185831"	928.091718	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+2Na"	45.978436
"626121"	1380.642968	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+2Na"	45.978436
"1128538"	475.540468	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2Na"	45.978436
"1412060"	317.362737333333	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H+2Na"	46.985712
"1444177"	952.115246	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H+HCOOH"	47.012746
"233144"	933.12474	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+3H2O+2H"	56.04448
"1520841"	966.16729	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+IsoProp+H"	61.06479
"423691"	936.078688	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+Na+K"	61.952376
"784807"	1388.629938	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+Na+K"	61.952376
"1680771"	483.527438	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Na+K"	61.952376
"266567"	1874.220768	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+ACN+Na"	64.015768
"1241100"	969.118268	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+ACN+Na"	64.015768
"1728168"	969.141793	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+NH4+HCOOH"	64.039293
"1193880"	324.690051333333	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+3Na"	68.967654
"1663049"	974.097188	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Na+HCOOH"	68.994688
"171002"	1887.12404	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+2K-H"	76.91904
"610563"	2792.22654	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+2K-H"	76.91904
"1097628"	982.02154	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2K-H"	76.91904
"154444"	944.065658	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"2M+2K"	77.926316
"593638"	1396.616908	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"3M+2K"	77.926316
"1081065"	491.514408	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2K"	77.926316
"1115457"	984.036092	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2K+H"	78.933592
"1349814"	984.123707	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+DMSO+H"	79.021207
"1019802"	988.162876	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2ACN+H"	83.060376
"1539263"	989.156508	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+IsoProp+Na+H"	84.054008
"1003399"	494.585076	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+2ACN+2H"	84.067652
"1601548"	990.071128	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+K+HCOOH"	84.968628
"1424652"	1020.102638	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+H+CF3COOH"	115.000138
"1152753"	515.098351	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+3ACN+2H"	125.094202
"1701212"	1037.129185	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+NH4+CF3COOH"	132.026685
"1635766"	1042.08458	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+Na+CF3COOH"	136.98208
"1576892"	1058.05852	"C06387"	"4-Chlorobenzoyl-CoA"	"C28H39ClN7O17P3S"	"905.1025"	"M+K+CF3COOH"	152.95602
"802885"	332.2351	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M"	0
"986260"	313.21671	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"75598"	220.482790666667	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"511878"	331.227824	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"890772"	109.737757333333	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"11533"	331.227824	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"453282"	497.345374	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"828896"	165.110274	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"88890"	663.462924	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"528449"	995.698024	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"906251"	331.227824	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"55158"	680.489471	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"495812"	1012.724571	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"872520"	348.254371	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"41514"	685.444866	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"478887"	1017.679966	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"851222"	353.209766	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1622943"	353.209766	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"107860"	349.216163	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"541225"	515.333713	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"932916"	183.098613	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"280710"	699.439602	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"670094"	1031.674702	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1286756"	367.204502	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"27245"	701.418806	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"467900"	1033.653906	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"842420"	369.183706	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1569920"	369.183706	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"952698"	377.233294	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"372006"	709.468401	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"352606"	723.484051	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1499253"	391.248951	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"963146"	399.215251	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"120441"	367.204502	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"559640"	533.322052	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1029530"	201.086952	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1248017"	411.153985	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1313747"	413.209972	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1325776"	435.191929	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"917198"	445.220686	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1294636"	481.197364	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1376079"	297.222424	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1397829"	315.2324	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"297637"	665.477476	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"678393"	997.712576	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1356565"	333.242376	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"126047"	333.242376	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"567191"	499.359926	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1048755"	167.124826	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"213375"	222.497342666667	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"655122"	333.242376	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1176898"	111.752309333333	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"435431"	682.504023	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"798621"	1014.739123	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1694954"	350.268923	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"344817"	341.7556495	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"736383"	507.8731995	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1490204"	175.6380995	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"405239"	687.459418	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"767690"	1019.694518	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1612872"	355.224318	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"320721"	344.233347	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"715329"	510.350897	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1473524"	178.115797	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1062393"	119.079623333333	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1269536"	365.268586	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"388124"	703.433358	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"739643"	1035.668458	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1547889"	371.198258	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"310171"	352.220317	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"699676"	518.337867	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1452404"	186.102767	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"241005"	706.504026	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1213714"	374.268926	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1199786"	187.638101	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"198125"	709.44136	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"634401"	1041.67646	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1136817"	377.20626	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"180108"	355.224318	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"625135"	521.341868	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1126455"	189.106768	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1412658"	126.406937333333	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1444287"	379.247846	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"232159"	360.25734	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1519854"	393.29989	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"422461"	363.211288	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"785285"	529.328838	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1680886"	197.093738	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"266310"	728.485968	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1240477"	396.250868	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1726694"	396.274393	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1192415"	133.734251333333	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1661699"	401.229788	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"167103"	741.38924	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"605205"	1073.62434	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1093724"	409.15414	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"151270"	371.198258	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"593017"	537.315808	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1082517"	205.080708	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1113295"	411.168692	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1350044"	411.256307	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1018572"	415.295476	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1535967"	416.289108	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"998039"	208.151376	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1598740"	417.203728	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1419294"	447.235238	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1155049"	228.664651	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1701320"	464.261785	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1638074"	469.21718	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1582472"	485.19112	"C06390"	"16-alpha-Hydroxypregnenolone;16alpha-Hydroxypregnenolone"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"806275"	346.2144	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M"	0
"979809"	327.19601	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"78262"	229.802324	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"515998"	345.207124	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"890883"	114.397524	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"14198"	345.207124	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"455502"	518.314324	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"829007"	172.099924	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"91915"	691.421524	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"529652"	1037.635924	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"904172"	345.207124	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"55268"	708.448071	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"495922"	1054.662471	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"874816"	362.233671	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"42717"	713.403466	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"476810"	1059.617866	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"850237"	367.189066	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1623053"	367.189066	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"107970"	363.195463	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"542428"	536.302663	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"935942"	190.088263	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"278875"	727.398202	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"672756"	1073.612602	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1287717"	381.183802	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"31005"	729.377406	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"469833"	1075.591806	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"842530"	383.163006	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1570030"	383.163006	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"953537"	391.212594	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"374668"	737.427001	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"353446"	751.442651	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1499363"	405.228251	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"960705"	413.194551	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"120551"	381.183802	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"558656"	554.291002	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1029640"	208.076602	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1247034"	425.133285	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1311669"	427.189272	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1324793"	449.171229	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"920225"	459.199986	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1298027"	495.176664	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1379469"	311.201724	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1398184"	329.2117	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"297140"	693.436076	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"683608"	1039.650476	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1357769"	347.221676	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"130657"	347.221676	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"570217"	520.328876	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1049958"	174.114476	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"213484"	231.816876	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"654139"	347.221676	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1176279"	116.412076	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"435906"	710.462623	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"799824"	1056.677023	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1692878"	364.248223	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"345166"	355.7349495	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"738075"	528.8421495	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1491771"	182.6277495	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"406078"	715.418018	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"768165"	1061.632418	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1615170"	369.203618	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"319738"	358.212647	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"714345"	531.319847	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1471448"	185.105447	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1064689"	123.73939	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1265271"	379.247886	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"390420"	731.391958	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"749230"	1077.606358	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1544720"	385.177558	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"308457"	366.199617	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"704889"	539.306817	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1455793"	193.092417	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"244396"	734.462626	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1216010"	388.248226	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1205363"	194.627751	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"201514"	737.39996	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"635606"	1083.61436	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1140204"	391.18556	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"179124"	369.203618	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"623059"	542.310818	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1129482"	196.096418	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1413006"	131.066704	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1444277"	393.227146	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"234820"	374.23664	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1521421"	407.27919	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"422933"	377.190588	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"784537"	550.297788	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1679773"	204.083388	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"266665"	756.444568	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1240100"	410.230168	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1723279"	410.253693	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1186813"	138.394018	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1657069"	415.209088	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"167213"	769.34784	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"606408"	1115.56224	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1094563"	423.13344	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"151744"	385.177558	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"594586"	558.284758	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1081651"	212.070358	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1112311"	425.147992	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1350156"	425.235607	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1020144"	429.274776	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1533891"	430.268408	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"1000336"	215.141026	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1599213"	431.183028	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1422684"	461.214538	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1155159"	235.654301	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1701430"	478.241085	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1638184"	483.19648	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1582582"	499.17042	"C06391"	"Algestone"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"803105"	314.2246	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M"	0
"976639"	295.20621	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"74724"	208.475790666667	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"516473"	313.217324	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"894967"	103.734257333333	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"14308"	313.217324	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"453867"	470.329624	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"828022"	156.105024	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"85829"	627.441924	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"526482"	941.666524	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"904285"	313.217324	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"59753"	644.468471	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"496032"	958.693071	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"877114"	330.243871	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"39545"	649.423866	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"476920"	963.648466	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"849617"	335.199266	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1619153"	335.199266	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"102976"	331.205663	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"543632"	488.317963	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"938241"	174.093363	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"281783"	663.418602	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"673600"	977.643202	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1282723"	349.194002	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"28560"	665.397806	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"471036"	979.622406	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"842639"	351.173206	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1565032"	351.173206	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"952916"	359.222794	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"368944"	673.447401	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"356839"	687.463051	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1508103"	373.238451	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"972487"	381.204751	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"125403"	349.194002	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"565086"	506.306302	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1033033"	192.081702	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1254435"	393.143485	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1313968"	395.199472	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1324903"	417.181429	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"924710"	427.210186	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1301419"	463.186864	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1382376"	279.211924	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1397808"	297.2219	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"297250"	629.456476	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"685905"	943.681076	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1365536"	315.231876	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"136235"	315.231876	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"580298"	472.344176	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1047889"	158.119576	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"215789"	210.490342666667	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"655351"	315.231876	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1174206"	105.748809333333	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"432381"	646.483023	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"793376"	960.707623	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1688613"	332.258423	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"340171"	323.7451495	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"726759"	480.8574495	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1478393"	166.6328495	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"397438"	651.438418	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"757339"	965.663018	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1608718"	337.213818	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"318754"	326.222847	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"712269"	483.335147	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1467183"	169.110547	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1065892"	113.076123333333	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1270852"	347.258086	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"383964"	667.412358	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"747153"	981.636958	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1545199"	353.187758	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"309660"	334.209817	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"700989"	491.322117	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1451531"	177.097517	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"241225"	670.483026	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1213934"	356.258426	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1204380"	178.632851	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"197251"	673.42036	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"632435"	987.64496	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1137036"	359.19576	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"177410"	337.213818	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"619890"	494.326118	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1126676"	180.101518	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1412266"	120.403437333333	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1442684"	361.237346	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"233107"	342.24684	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1518979"	375.28939	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"420853"	345.200788	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"785457"	502.313088	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1679649"	188.088488	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"264714"	692.464968	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1240335"	378.240368	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1723024"	378.263893	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1188380"	127.730751333333	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1658275"	383.219288	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"165137"	705.36824	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"605791"	1019.59284	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1093218"	391.14364	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"152221"	353.187758	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"595062"	510.300058	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1078846"	196.075458	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1112785"	393.158192	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1350263"	393.245807	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1015877"	397.284976	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1536187"	398.278608	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"1003364"	199.146126	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1600416"	399.193228	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1427168"	429.224738	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1156365"	219.659401	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1698260"	446.251285	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1635370"	451.20668	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1582692"	467.18062	"C06392"	"1617-Didehydropregnenolone"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"804308"	104.0586	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M"	0
"976749"	85.04021	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-H2O-H"	-19.01839
"75927"	68.365124	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M-3H"	-3.021828
"517923"	103.051324	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M-3H"	-3.021828
"895119"	33.678924	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-3H"	-3.021828
"11867"	103.051324	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M-2H"	-2.014552
"454586"	155.080624	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M-2H"	-2.014552
"824853"	51.022024	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-2H"	-2.014552
"88855"	207.109924	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M-H"	-1.007276
"526592"	311.168524	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M-H"	-1.007276
"901115"	103.051324	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-H"	-1.007276
"56582"	224.136471	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M-2H+NH4"	16.019271
"496142"	328.195071	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M-2H+NH4"	16.019271
"877104"	120.077871	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-2H+NH4"	16.019271
"39658"	229.091866	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M-2H+Na"	20.974666
"474842"	333.150466	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M-2H+Na"	20.974666
"850457"	125.033266	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-2H+Na"	20.974666
"1619263"	125.033266	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Na-2H"	20.974666
"103086"	121.039663	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M-H+Cl"	33.962126
"542648"	173.068963	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M-H+Cl"	33.962126
"938351"	69.010363	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-H+Cl"	33.962126
"280921"	243.086602	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+Cl"	34.969402
"674806"	347.145202	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+Cl"	34.969402
"1287207"	139.028002	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Cl"	34.969402
"29401"	245.065806	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M-2H+K"	36.948606
"469690"	349.124406	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M-2H+K"	36.948606
"842749"	141.007206	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-2H+K"	36.948606
"1565142"	141.007206	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+K-2H"	36.948606
"953026"	149.056794	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-H+HCOOH"	44.998194
"370147"	253.115401	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+HCOOH-H"	44.998201
"355124"	267.131051	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+Hac-H"	59.013851
"1505417"	163.072451	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Hac-H"	59.013851
"973450"	171.038751	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-H+NaCOOH"	66.980151
"123325"	139.028002	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+2Cl"	69.938804
"564953"	191.057302	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+2Cl"	69.938804
"1034601"	86.998702	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2Cl"	69.938804
"1248347"	182.977485	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Br"	78.918885
"1314078"	185.033472	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Cl+HCOOH"	80.974872
"1328294"	207.015429	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Cl+NaCOOH"	102.956829
"921541"	217.044186	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M-H+CF3COOH"	112.985586
"1303716"	253.020864	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Cl+CF3COOH"	148.962264
"1376410"	69.045924	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H-2H2O"	-35.012676
"1393905"	87.0559	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H-H2O"	-17.0027
"293592"	209.124476	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+H"	1.007276
"680547"	313.183076	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+H"	1.007276
"1365646"	105.065876	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H"	1.007276
"136345"	105.065876	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+2H"	2.014552
"578095"	157.095176	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+2H"	2.014552
"1049089"	53.036576	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2H"	2.014552
"216264"	70.379676	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+3H"	3.021828
"655098"	105.065876	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+3H"	3.021828
"1175409"	35.693476	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+3H"	3.021828
"433219"	226.151023	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+NH4"	18.033823
"792393"	330.209623	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+NH4"	18.033823
"1688723"	122.092423	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+NH4"	18.033823
"340281"	113.5791495	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+H+NH4"	19.041099
"726140"	165.6084495	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+H+NH4"	19.041099
"1486523"	61.5498495	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H+NH4"	19.041099
"396455"	231.106418	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+Na"	22.989218
"764011"	335.165018	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+Na"	22.989218
"1606641"	127.047818	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Na"	22.989218
"321051"	116.056847	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+H+Na"	23.996494
"711286"	168.086147	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+H+Na"	23.996494
"1465107"	64.027547	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H+Na"	23.996494
"1062726"	43.02079	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2H+Na"	25.00377
"1270962"	137.092086	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+CH3OH+H"	33.033486
"386261"	247.080358	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+K"	38.963158
"749450"	351.138958	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+K"	38.963158
"1543849"	143.021758	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+K"	38.963158
"306489"	124.043817	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+H+K"	39.970434
"701099"	176.073117	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+H+K"	39.970434
"1450548"	72.014517	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H+K"	39.970434
"241336"	250.151026	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+ACN+H"	42.033826
"1214045"	146.092426	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+ACN+H"	42.033826
"1204490"	73.549851	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+ACN+2H"	43.041102
"200642"	253.08836	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+2Na-H"	44.97116
"633639"	357.14696	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+2Na-H"	44.97116
"1137147"	149.02976	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2Na-H"	44.97116
"176427"	127.047818	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+2Na"	45.978436
"620000"	179.077118	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+2Na"	45.978436
"1126424"	75.018518	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2Na"	45.978436
"1412989"	50.348104	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H+2Na"	46.985712
"1443525"	151.071346	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H+HCOOH"	47.012746
"234314"	132.08084	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+3H2O+2H"	56.04448
"1521278"	165.12339	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+IsoProp+H"	61.06479
"422432"	135.034788	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+Na+K"	61.952376
"780875"	187.064088	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+Na+K"	61.952376
"1678666"	83.005488	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Na+K"	61.952376
"265188"	272.132968	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+ACN+Na"	64.015768
"1239957"	168.074368	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+ACN+Na"	64.015768
"1720949"	168.097893	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+NH4+HCOOH"	64.039293
"1191045"	57.675418	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+3Na"	68.967654
"1657289"	173.053288	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Na+HCOOH"	68.994688
"165246"	285.03624	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+2K-H"	76.91904
"605899"	389.09484	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+2K-H"	76.91904
"1087495"	180.97764	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2K-H"	76.91904
"151602"	143.021758	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"2M+2K"	77.926316
"596024"	195.051058	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"3M+2K"	77.926316
"1083454"	90.992458	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2K"	77.926316
"1113260"	182.992192	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2K+H"	78.933592
"1347456"	183.079807	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+DMSO+H"	79.021207
"1018173"	187.118976	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2ACN+H"	83.060376
"1538484"	188.112608	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+IsoProp+Na+H"	84.054008
"1002744"	94.063126	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+2ACN+2H"	84.067652
"1598341"	189.027228	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+K+HCOOH"	84.968628
"1427279"	219.058738	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+H+CF3COOH"	115.000138
"1156475"	114.576401	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+3ACN+2H"	125.094202
"1698370"	236.085285	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+NH4+CF3COOH"	132.026685
"1634548"	241.04068	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+Na+CF3COOH"	136.98208
"1582802"	257.01462	"C06393"	"23-Diaminopropanoate;23-Diaminopropionate;23-Diaminopropionic acid;23-Diaminopropanoic acid"	"C3H8N2O2"	"104.0586"	"M+K+CF3COOH"	152.95602
"804053"	204.1878	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M"	0
"976859"	185.16941	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"74944"	135.117924	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516696"	203.180524	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"894379"	67.055324	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14893"	203.180524	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452633"	305.274424	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"829335"	101.086624	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92855"	407.368324	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"529980"	611.556124	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"902318"	203.180524	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51225"	424.394871	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"490785"	628.582671	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"871867"	220.207071	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"43048"	429.350266	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"473858"	633.538066	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"852754"	225.162466	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620104"	225.162466	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"102102"	221.168863	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"541665"	323.262763	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"937368"	119.074963	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281153"	443.345002	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670541"	647.532802	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285861"	239.157202	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"29873"	445.324206	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"469433"	649.512006	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"839579"	241.136406	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1560878"	241.136406	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"949856"	249.185994	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"369164"	453.373801	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"351954"	467.389451	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499694"	263.201651	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972340"	271.167951	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123801"	239.157202	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"565387"	341.251102	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032160"	137.063302	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251737"	283.106685	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1314188"	285.162672	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1327310"	307.144629	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"922744"	317.173386	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1301640"	353.150064	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376520"	169.175124	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394015"	187.1851	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291515"	409.382876	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"680657"	613.570676	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1365756"	205.195076	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"138643"	205.195076	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"578205"	307.288976	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1051994"	103.101176	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"217831"	137.132476	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"656662"	205.195076	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1173697"	69.069876	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433695"	426.409423	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"792504"	630.597223	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1689927"	222.221623	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"337111"	213.7083495	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"727346"	315.8022495	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480073"	111.6144495	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395472"	431.364818	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"764121"	635.552618	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1607845"	227.177018	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321162"	216.186047	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"712491"	318.279947	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1466311"	114.092147	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1063566"	76.39719	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1271073"	237.221286	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"386371"	447.338758	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"748464"	651.526558	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1542502"	243.150958	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"306599"	224.173017	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700115"	326.266917	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448472"	122.079117	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"240353"	450.409426	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1214158"	246.221626	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1200226"	123.614451	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"195287"	453.34676	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"633751"	657.53456	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1133614"	249.15896	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"179457"	227.177018	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"620111"	329.270918	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1123618"	125.083118	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1411153"	83.724504	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1444243"	251.200546	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"233936"	232.21004	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522366"	265.25259	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"422178"	235.163988	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783173"	337.257888	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678777"	133.070088	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"265659"	472.391368	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1239703"	268.203568	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1721059"	268.227093	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190426"	91.051818	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659585"	273.182488	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"163168"	485.29464	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603822"	689.48244	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1087606"	281.10684	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"152806"	243.150958	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"595527"	345.244858	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1082347"	141.057058	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1113370"	283.121392	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1350606"	283.209007	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1020350"	287.248176	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1535316"	288.241808	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1003828"	144.127726	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600636"	289.156428	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427391"	319.187938	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156584"	164.641001	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1699207"	336.214485	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635223"	341.16988	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582912"	357.14382	"C06394"	"delta-Cadinene;()-delta-Cadinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"806717"	619.0928	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M"	0
"988999"	600.07441	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H2O-H"	-19.01839
"69587"	411.721257333333	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-3H"	-3.021828
"516804"	618.085524	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-3H"	-3.021828
"894361"	205.356990666667	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-3H"	-3.021828
"13909"	618.085524	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H"	-2.014552
"454685"	927.631924	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H"	-2.014552
"829810"	308.539124	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H"	-2.014552
"90895"	1237.178324	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-H"	-1.007276
"532887"	1856.271124	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-H"	-1.007276
"905707"	618.085524	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H"	-1.007276
"55705"	1254.204871	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H+NH4"	16.019271
"495266"	1873.297671	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H+NH4"	16.019271
"868697"	635.112071	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H+NH4"	16.019271
"32709"	1259.160266	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H+Na"	20.974666
"474095"	1878.253066	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H+Na"	20.974666
"858339"	640.067466	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H+Na"	20.974666
"1631886"	640.067466	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na-2H"	20.974666
"105504"	636.073863	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-H+Cl"	33.962126
"546885"	945.620263	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-H+Cl"	33.962126
"940041"	326.527463	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+Cl"	33.962126
"279323"	1273.155002	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Cl"	34.969402
"672834"	1892.247802	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+Cl"	34.969402
"1287062"	654.062202	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl"	34.969402
"23419"	1275.134206	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H+K"	36.948606
"466262"	1894.227006	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H+K"	36.948606
"845157"	656.041406	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H+K"	36.948606
"1560988"	656.041406	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K-2H"	36.948606
"949966"	664.090994	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+HCOOH"	44.998194
"372554"	1283.183801	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+HCOOH-H"	44.998201
"354251"	1297.199451	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Hac-H"	59.013851
"1499803"	678.106651	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Hac-H"	59.013851
"966251"	686.072951	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+NaCOOH"	66.980151
"122819"	654.062202	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2Cl"	69.938804
"565176"	963.608602	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2Cl"	69.938804
"1028994"	344.515802	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2Cl"	69.938804
"1251852"	698.011685	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Br"	78.918885
"1315393"	700.067672	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl+HCOOH"	80.974872
"1333618"	722.049629	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl+NaCOOH"	102.956829
"925406"	732.078386	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+CF3COOH"	112.985586
"1301750"	768.055064	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl+CF3COOH"	148.962264
"1376630"	584.080124	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H-2H2O"	-35.012676
"1393035"	602.0901	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H-H2O"	-17.0027
"290534"	1239.192876	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H"	1.007276
"687330"	1858.285676	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H"	1.007276
"1361492"	620.100076	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H"	1.007276
"135478"	620.100076	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2H"	2.014552
"577227"	929.646476	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2H"	2.014552
"1049307"	310.553676	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2H"	2.014552
"216118"	413.735809333333	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+3H"	3.021828
"656775"	620.100076	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+3H"	3.021828
"1175632"	207.371542666667	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+3H"	3.021828
"437807"	1256.219423	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+NH4"	18.033823
"796987"	1875.312223	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+NH4"	18.033823
"1695868"	637.126623	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+NH4"	18.033823
"338316"	628.6133495	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H+NH4"	19.041099
"729642"	938.1597495	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H+NH4"	19.041099
"1487838"	319.0669495	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+NH4"	19.041099
"399956"	1261.174818	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Na"	22.989218
"760950"	1880.267618	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+Na"	22.989218
"1610143"	642.082018	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na"	22.989218
"320178"	631.091047	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H+Na"	23.996494
"718067"	940.637447	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H+Na"	23.996494
"1468608"	321.544647	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+Na"	23.996494
"1059667"	214.698856666667	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2H+Na"	25.00377
"1265726"	652.126286	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+CH3OH+H"	33.033486
"384303"	1277.148758	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+K"	38.963158
"749671"	1896.241558	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+K"	38.963158
"1545161"	658.055958	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K"	38.963158
"305619"	639.078017	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H+K"	39.970434
"693300"	948.624417	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H+K"	39.970434
"1450767"	329.531617	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+K"	39.970434
"239369"	1280.219426	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+ACN+H"	42.033826
"1214264"	661.126626	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+ACN+H"	42.033826
"1199241"	331.066951	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+ACN+2H"	43.041102
"194300"	1283.15676	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2Na-H"	44.97116
"636048"	1902.24956	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2Na-H"	44.97116
"1138462"	664.06396	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2Na-H"	44.97116
"179567"	642.082018	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2Na"	45.978436
"620221"	951.628418	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2Na"	45.978436
"1129925"	332.535618	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2Na"	45.978436
"1412599"	222.026170666667	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+2Na"	46.985712
"1443378"	666.105546	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+HCOOH"	47.012746
"234777"	647.11504	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+3H2O+2H"	56.04448
"1523204"	680.15759	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+IsoProp+H"	61.06479
"422290"	650.068988	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Na+K"	61.952376
"782917"	959.615388	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+Na+K"	61.952376
"1678518"	340.522588	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na+K"	61.952376
"258479"	1302.201368	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+ACN+Na"	64.015768
"1232282"	683.108568	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+ACN+Na"	64.015768
"1721169"	683.132093	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+NH4+HCOOH"	64.039293
"1188712"	229.353484666667	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+3Na"	68.967654
"1658602"	688.087488	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na+HCOOH"	68.994688
"164369"	1315.10464	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2K-H"	76.91904
"602834"	1934.19744	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2K-H"	76.91904
"1088442"	696.01184	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2K-H"	76.91904
"152916"	658.055958	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2K"	77.926316
"592476"	967.602358	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2K"	77.926316
"1074798"	348.509558	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2K"	77.926316
"1112385"	698.026392	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2K+H"	78.933592
"1344395"	698.114007	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+DMSO+H"	79.021207
"1018392"	702.153176	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2ACN+H"	83.060376
"1538219"	703.146808	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+IsoProp+Na+H"	84.054008
"1004789"	351.580226	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2ACN+2H"	84.067652
"1598562"	704.061428	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K+HCOOH"	84.968628
"1426404"	734.092938	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+CF3COOH"	115.000138
"1147953"	372.093501	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+3ACN+2H"	125.094202
"1709535"	751.119485	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+NH4+CF3COOH"	132.026685
"1641906"	756.07488	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na+CF3COOH"	136.98208
"1583024"	772.04882	"C06397"	"ADP-D-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K+CF3COOH"	152.95602
"813390"	619.0928	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M"	0
"986922"	600.07441	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H2O-H"	-19.01839
"72977"	411.721257333333	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-3H"	-3.021828
"517885"	618.085524	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-3H"	-3.021828
"894349"	205.356990666667	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-3H"	-3.021828
"14868"	618.085524	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H"	-2.014552
"452850"	927.631924	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H"	-2.014552
"830649"	308.539124	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H"	-2.014552
"89548"	1237.178324	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-H"	-1.007276
"526921"	1856.271124	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-H"	-1.007276
"908730"	618.085524	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H"	-1.007276
"60190"	1254.204871	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H+NH4"	16.019271
"496105"	1873.297671	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H+NH4"	16.019271
"865890"	635.112071	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H+NH4"	16.019271
"41086"	1259.160266	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H+Na"	20.974666
"481742"	1878.253066	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H+Na"	20.974666
"860636"	640.067466	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H+Na"	20.974666
"1625802"	640.067466	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na-2H"	20.974666
"106704"	636.073863	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-H+Cl"	33.962126
"545172"	945.620263	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-H+Cl"	33.962126
"939779"	326.527463	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+Cl"	33.962126
"280522"	1273.155002	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Cl"	34.969402
"674768"	1892.247802	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+Cl"	34.969402
"1283160"	654.062202	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl"	34.969402
"26810"	1275.134206	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M-2H+K"	36.948606
"470382"	1894.227006	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M-2H+K"	36.948606
"841985"	656.041406	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-2H+K"	36.948606
"1563287"	656.041406	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K-2H"	36.948606
"954451"	664.090994	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+HCOOH"	44.998194
"374127"	1283.183801	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+HCOOH-H"	44.998201
"356918"	1297.199451	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Hac-H"	59.013851
"1503929"	678.106651	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Hac-H"	59.013851
"971104"	686.072951	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+NaCOOH"	66.980151
"120745"	654.062202	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2Cl"	69.938804
"560305"	963.608602	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2Cl"	69.938804
"1031290"	344.515802	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2Cl"	69.938804
"1246494"	698.011685	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Br"	78.918885
"1315504"	700.067672	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl+HCOOH"	80.974872
"1326440"	722.049629	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl+NaCOOH"	102.956829
"924059"	732.078386	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M-H+CF3COOH"	112.985586
"1295300"	768.055064	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Cl+CF3COOH"	148.962264
"1376744"	584.080124	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H-2H2O"	-35.012676
"1393145"	602.0901	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H-H2O"	-17.0027
"293930"	1239.192876	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H"	1.007276
"686351"	1858.285676	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H"	1.007276
"1356143"	620.100076	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H"	1.007276
"131219"	620.100076	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2H"	2.014552
"579529"	929.646476	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2H"	2.014552
"1048330"	310.553676	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2H"	2.014552
"212950"	413.735809333333	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+3H"	3.021828
"656521"	620.100076	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+3H"	3.021828
"1176958"	207.371542666667	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+3H"	3.021828
"438164"	1256.219423	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+NH4"	18.033823
"797096"	1875.312223	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+NH4"	18.033823
"1691241"	637.126623	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+NH4"	18.033823
"340613"	628.6133495	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H+NH4"	19.041099
"727566"	938.1597495	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H+NH4"	19.041099
"1481386"	319.0669495	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+NH4"	19.041099
"395689"	1261.174818	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Na"	22.989218
"758142"	1880.267618	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+Na"	22.989218
"1611344"	642.082018	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na"	22.989218
"322476"	631.091047	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H+Na"	23.996494
"711617"	940.637447	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H+Na"	23.996494
"1469813"	321.544647	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+Na"	23.996494
"1056495"	214.698856666667	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2H+Na"	25.00377
"1260365"	652.126286	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+CH3OH+H"	33.033486
"381129"	1277.148758	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+K"	38.963158
"745407"	1896.241558	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+K"	38.963158
"1545270"	658.055958	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K"	38.963158
"302448"	639.078017	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+H+K"	39.970434
"697056"	948.624417	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+H+K"	39.970434
"1451972"	329.531617	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+K"	39.970434
"243854"	1280.219426	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+ACN+H"	42.033826
"1216564"	661.126626	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+ACN+H"	42.033826
"1195706"	331.066951	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+ACN+2H"	43.041102
"196599"	1283.15676	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2Na-H"	44.97116
"636160"	1902.24956	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2Na-H"	44.97116
"1137480"	664.06396	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2Na-H"	44.97116
"185145"	642.082018	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2Na"	45.978436
"620331"	951.628418	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2Na"	45.978436
"1130034"	332.535618	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2Na"	45.978436
"1412465"	222.026170666667	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+2Na"	46.985712
"1443611"	666.105546	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+HCOOH"	47.012746
"234158"	647.11504	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+3H2O+2H"	56.04448
"1521611"	680.15759	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+IsoProp+H"	61.06479
"422760"	650.068988	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+Na+K"	61.952376
"782660"	959.615388	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+Na+K"	61.952376
"1679844"	340.522588	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na+K"	61.952376
"258591"	1302.201368	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+ACN+Na"	64.015768
"1229112"	683.108568	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+ACN+Na"	64.015768
"1720186"	683.132093	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+NH4+HCOOH"	64.039293
"1191007"	229.353484666667	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+3Na"	68.967654
"1652152"	688.087488	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na+HCOOH"	68.994688
"163387"	1315.10464	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2K-H"	76.91904
"605134"	1934.19744	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2K-H"	76.91904
"1090743"	696.01184	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2K-H"	76.91904
"155212"	658.055958	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"2M+2K"	77.926316
"592585"	967.602358	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"3M+2K"	77.926316
"1077095"	348.509558	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2K"	77.926316
"1108120"	698.026392	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2K+H"	78.933592
"1347785"	698.114007	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+DMSO+H"	79.021207
"1017409"	702.153176	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2ACN+H"	83.060376
"1537357"	703.146808	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+IsoProp+Na+H"	84.054008
"1001981"	351.580226	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+2ACN+2H"	84.067652
"1594294"	704.061428	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K+HCOOH"	84.968628
"1426514"	734.092938	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+H+CF3COOH"	115.000138
"1148064"	372.093501	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+3ACN+2H"	125.094202
"1697045"	751.119485	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+NH4+CF3COOH"	132.026685
"1636547"	756.07488	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+Na+CF3COOH"	136.98208
"1583134"	772.04882	"C06398"	"ADP-L-glycero-beta-D-manno-heptose"	"C17H27N5O16P2"	"619.0928"	"M+K+CF3COOH"	152.95602
"813500"	880.4106	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M"	0
"987032"	861.39221	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-H2O-H"	-19.01839
"73086"	585.933124	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M-3H"	-3.021828
"510460"	879.403324	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M-3H"	-3.021828
"891543"	292.462924	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-3H"	-3.021828
"14492"	879.403324	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M-2H"	-2.014552
"452958"	1319.608624	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M-2H"	-2.014552
"828572"	439.198024	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-2H"	-2.014552
"92573"	1759.813924	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M-H"	-1.007276
"528123"	2640.224524	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M-H"	-1.007276
"908840"	879.403324	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-H"	-1.007276
"59206"	1776.840471	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M-2H+NH4"	16.019271
"495486"	2657.251071	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M-2H+NH4"	16.019271
"867822"	896.429871	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-2H+NH4"	16.019271
"34630"	1781.795866	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M-2H+Na"	20.974666
"477476"	2662.206466	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M-2H+Na"	20.974666
"855279"	901.385266	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-2H+Na"	20.974666
"1632473"	901.385266	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Na-2H"	20.974666
"108637"	897.391663	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M-H+Cl"	33.962126
"546376"	1337.596963	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M-H+Cl"	33.962126
"942704"	457.186363	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-H+Cl"	33.962126
"280632"	1795.790602	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+Cl"	34.969402
"675446"	2676.201202	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+Cl"	34.969402
"1286550"	915.380002	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Cl"	34.969402
"28013"	1797.769806	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M-2H+K"	36.948606
"468669"	2678.180406	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M-2H+K"	36.948606
"843189"	917.359206	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-2H+K"	36.948606
"1565584"	917.359206	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+K-2H"	36.948606
"954561"	925.408794	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-H+HCOOH"	44.998194
"372778"	1805.819401	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+HCOOH-H"	44.998201
"358121"	1819.835051	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+Hac-H"	59.013851
"1505132"	939.424451	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Hac-H"	59.013851
"970849"	947.390751	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-H+NaCOOH"	66.980151
"121949"	915.380002	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+2Cl"	69.938804
"563695"	1355.585302	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+2Cl"	69.938804
"1031400"	475.174702	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2Cl"	69.938804
"1249884"	959.329485	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Br"	78.918885
"1315614"	961.385472	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Cl+HCOOH"	80.974872
"1326550"	983.367429	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Cl+NaCOOH"	102.956829
"924169"	993.396186	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M-H+CF3COOH"	112.985586
"1298690"	1029.372864	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Cl+CF3COOH"	148.962264
"1376854"	845.397924	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H-2H2O"	-35.012676
"1392162"	863.4079	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H-H2O"	-17.0027
"298292"	1761.828476	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+H"	1.007276
"688283"	2642.239076	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+H"	1.007276
"1358439"	881.417876	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H"	1.007276
"137888"	881.417876	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+2H"	2.014552
"576360"	1321.623176	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+2H"	2.014552
"1046254"	441.212576	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2H"	2.014552
"215247"	587.947676	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+3H"	3.021828
"655901"	881.417876	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+3H"	3.021828
"1177878"	294.477476	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+3H"	3.021828
"438762"	1778.855023	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+NH4"	18.033823
"799757"	2659.265623	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+NH4"	18.033823
"1691350"	898.444423	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+NH4"	18.033823
"341818"	889.9311495	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+H+NH4"	19.041099
"726583"	1330.1364495	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+H+NH4"	19.041099
"1483684"	449.7258495	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H+NH4"	19.041099
"397988"	1783.810418	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+Na"	22.989218
"762263"	2664.221018	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+Na"	22.989218
"1611455"	903.399818	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Na"	22.989218
"323680"	892.408847	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+H+Na"	23.996494
"713915"	1332.614147	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+H+Na"	23.996494
"1472108"	452.203547	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H+Na"	23.996494
"1062072"	301.80479	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2H+Na"	25.00377
"1260475"	913.444086	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+CH3OH+H"	33.033486
"381603"	1799.784358	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+K"	38.963158
"746608"	2680.194958	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+K"	38.963158
"1540761"	919.373758	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+K"	38.963158
"302558"	900.395817	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+H+K"	39.970434
"697166"	1340.601117	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+H+K"	39.970434
"1450989"	460.190517	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H+K"	39.970434
"240686"	1802.855026	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+ACN+H"	42.033826
"1215580"	922.444426	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+ACN+H"	42.033826
"1196908"	461.725851	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+ACN+2H"	43.041102
"196709"	1805.79236	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+2Na-H"	44.97116
"636270"	2686.20296	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+2Na-H"	44.97116
"1140870"	925.38176	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2Na-H"	44.97116
"185255"	903.399818	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+2Na"	45.978436
"620441"	1343.605118	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+2Na"	45.978436
"1131118"	463.194518	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2Na"	45.978436
"1413304"	309.132104	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H+2Na"	46.985712
"1443600"	927.423346	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H+HCOOH"	47.012746
"232565"	908.43284	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+3H2O+2H"	56.04448
"1523978"	941.47539	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+IsoProp+H"	61.06479
"423232"	911.386788	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+Na+K"	61.952376
"781313"	1351.592088	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+Na+K"	61.952376
"1680561"	471.181488	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Na+K"	61.952376
"260889"	1824.836968	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+ACN+Na"	64.015768
"1232503"	944.426368	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+ACN+Na"	64.015768
"1723576"	944.449893	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+NH4+HCOOH"	64.039293
"1190025"	316.459418	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+3Na"	68.967654
"1658823"	949.405288	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Na+HCOOH"	68.994688
"164593"	1837.74024	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+2K-H"	76.91904
"611807"	2718.15084	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+2K-H"	76.91904
"1098144"	957.32964	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2K-H"	76.91904
"156622"	919.373758	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"2M+2K"	77.926316
"596834"	1359.579058	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"3M+2K"	77.926316
"1078300"	479.168458	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2K"	77.926316
"1113699"	959.344192	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2K+H"	78.933592
"1346801"	959.431807	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+DMSO+H"	79.021207
"1021136"	963.470976	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2ACN+H"	83.060376
"1533455"	964.464608	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+IsoProp+Na+H"	84.054008
"1005008"	482.239126	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+2ACN+2H"	84.067652
"1597689"	965.379228	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+K+HCOOH"	84.968628
"1424438"	995.410738	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+H+CF3COOH"	115.000138
"1150360"	502.752401	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+3ACN+2H"	125.094202
"1697723"	1012.437285	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+NH4+CF3COOH"	132.026685
"1634834"	1017.39268	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+Na+CF3COOH"	136.98208
"1583244"	1033.36662	"C06399"	"Hydrogenobyrinate;Hydrogenobyrinic acid"	"C45H60N4O14"	"880.4106"	"M+K+CF3COOH"	152.95602
"807050"	894.3171	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M"	0
"983863"	875.29871	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-H2O-H"	-19.01839
"73201"	595.204124	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M-3H"	-3.021828
"513854"	893.309824	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M-3H"	-3.021828
"888376"	297.098424	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-3H"	-3.021828
"10231"	893.309824	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M-2H"	-2.014552
"449791"	1340.468374	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M-2H"	-2.014552
"830871"	446.151274	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-2H"	-2.014552
"84304"	1787.626924	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M-H"	-1.007276
"526049"	2681.944024	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M-H"	-1.007276
"899478"	893.309824	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-H"	-1.007276
"49846"	1804.653471	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M-2H+NH4"	16.019271
"490134"	2698.970571	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M-2H+NH4"	16.019271
"878398"	910.336371	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-2H+NH4"	16.019271
"45325"	1809.608866	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M-2H+Na"	20.974666
"484520"	2703.925966	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M-2H+Na"	20.974666
"863048"	915.291766	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-2H+Na"	20.974666
"1626022"	915.291766	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Na-2H"	20.974666
"106925"	911.298163	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M-H+Cl"	33.962126
"546486"	1358.456713	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M-H+Cl"	33.962126
"934899"	464.139613	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-H+Cl"	33.962126
"280744"	1823.603602	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+Cl"	34.969402
"674258"	2717.920702	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+Cl"	34.969402
"1284477"	929.286502	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Cl"	34.969402
"22659"	1825.582806	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M-2H+K"	36.948606
"464405"	2719.899906	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M-2H+K"	36.948606
"838927"	931.265706	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-2H+K"	36.948606
"1564602"	931.265706	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+K-2H"	36.948606
"949204"	939.315294	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-H+HCOOH"	44.998194
"371796"	1833.632401	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+HCOOH-H"	44.998201
"356775"	1847.648051	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+Hac-H"	59.013851
"1501235"	953.330951	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Hac-H"	59.013851
"961120"	961.297251	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-H+NaCOOH"	66.980151
"114402"	929.286502	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+2Cl"	69.938804
"558338"	1376.445052	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+2Cl"	69.938804
"1024584"	482.127952	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2Cl"	69.938804
"1244529"	973.235985	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Br"	78.918885
"1313539"	975.291972	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Cl+HCOOH"	80.974872
"1328848"	997.273929	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Cl+NaCOOH"	102.956829
"916627"	1007.302686	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M-H+CF3COOH"	112.985586
"1298804"	1043.279364	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Cl+CF3COOH"	148.962264
"1379523"	859.304424	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H-2H2O"	-35.012676
"1395924"	877.3144	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H-H2O"	-17.0027
"288687"	1789.641476	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+H"	1.007276
"683294"	2683.958576	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+H"	1.007276
"1361470"	895.324376	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H"	1.007276
"135816"	895.324376	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+2H"	2.014552
"573189"	1342.482926	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+2H"	2.014552
"1048188"	448.165826	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2H"	2.014552
"215359"	597.218676	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+3H"	3.021828
"653829"	895.324376	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+3H"	3.021828
"1176326"	299.112976	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+3H"	3.021828
"430854"	1806.668023	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+NH4"	18.033823
"791847"	2700.985123	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+NH4"	18.033823
"1684901"	912.350923	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+NH4"	18.033823
"333179"	903.8376495	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+H+NH4"	19.041099
"724869"	1350.9961995	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+H+NH4"	19.041099
"1479784"	456.6790995	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H+NH4"	19.041099
"399193"	1811.623418	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+Na"	22.989218
"760184"	2705.940518	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+Na"	22.989218
"1607194"	917.306318	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Na"	22.989218
"314464"	906.315347	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+H+Na"	23.996494
"711839"	1353.473897	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+H+Na"	23.996494
"1464932"	459.156797	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H+Na"	23.996494
"1053356"	306.44029	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2H+Na"	25.00377
"1257089"	927.350586	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+CH3OH+H"	33.033486
"377453"	1827.597358	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+K"	38.963158
"740522"	2721.914458	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+K"	38.963158
"1542944"	933.280258	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+K"	38.963158
"305954"	914.302317	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+H+K"	39.970434
"697280"	1361.460867	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+H+K"	39.970434
"1448186"	467.143767	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H+K"	39.970434
"237879"	1830.668026	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+ACN+H"	42.033826
"1213504"	936.350926	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+ACN+H"	42.033826
"1197390"	468.679101	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+ACN+2H"	43.041102
"192813"	1833.60536	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+2Na-H"	44.97116
"635291"	2727.92246	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+2Na-H"	44.97116
"1138795"	939.28826	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2Na-H"	44.97116
"187556"	917.306318	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+2Na"	45.978436
"621647"	1364.464868	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+2Na"	45.978436
"1126247"	470.147768	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2Na"	45.978436
"1408676"	313.767604	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H+2Na"	46.985712
"1442979"	941.329846	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H+HCOOH"	47.012746
"229396"	922.33934	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+3H2O+2H"	56.04448
"1520742"	955.38189	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+IsoProp+H"	61.06479
"414965"	925.293288	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+Na+K"	61.952376
"771340"	1372.451838	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+Na+K"	61.952376
"1669007"	478.134738	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Na+K"	61.952376
"257714"	1852.649968	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+ACN+Na"	64.015768
"1232611"	958.332868	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+ACN+Na"	64.015768
"1721497"	958.356393	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+NH4+HCOOH"	64.039293
"1180654"	321.094918	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+3Na"	68.967654
"1657108"	963.311788	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Na+HCOOH"	68.994688
"163604"	1865.55324	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+2K-H"	76.91904
"610819"	2759.87034	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+2K-H"	76.91904
"1095334"	971.23614	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2K-H"	76.91904
"154337"	933.280258	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"2M+2K"	77.926316
"591711"	1380.438808	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"3M+2K"	77.926316
"1077314"	486.121708	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2K"	77.926316
"1106149"	973.250692	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2K+H"	78.933592
"1343628"	973.338307	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+DMSO+H"	79.021207
"1020545"	977.377476	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2ACN+H"	83.060376
"1526271"	978.371108	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+IsoProp+Na+H"	84.054008
"994548"	489.192376	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+2ACN+2H"	84.067652
"1590507"	979.285728	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+K+HCOOH"	84.968628
"1417994"	1009.317238	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+H+CF3COOH"	115.000138
"1147552"	509.705651	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+3ACN+2H"	125.094202
"1704401"	1026.343785	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+NH4+CF3COOH"	132.026685
"1648436"	1031.29918	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+Na+CF3COOH"	136.98208
"1583357"	1047.27312	"C06406"	"Precorrin 3B"	"C43H50N4O17"	"894.3171"	"M+K+CF3COOH"	152.95602
"810441"	908.3327	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M"	0
"988348"	889.31431	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-H2O-H"	-19.01839
"70031"	604.547857333333	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M-3H"	-3.021828
"516151"	907.325424	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M-3H"	-3.021828
"888486"	301.770290666667	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-3H"	-3.021828
"13379"	907.325424	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M-2H"	-2.014552
"449901"	1361.491774	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M-2H"	-2.014552
"827701"	453.159074	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-2H"	-2.014552
"85507"	1815.658124	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M-H"	-1.007276
"527253"	2723.990824	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M-H"	-1.007276
"899588"	907.325424	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-H"	-1.007276
"50320"	1832.684671	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M-2H+NH4"	16.019271
"490608"	2741.017371	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M-2H+NH4"	16.019271
"878387"	924.351971	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-2H+NH4"	16.019271
"44705"	1837.640066	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M-2H+Na"	20.974666
"485356"	2745.972766	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M-2H+Na"	20.974666
"860607"	929.307366	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-2H+Na"	20.974666
"1623945"	929.307366	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Na-2H"	20.974666
"102662"	925.313763	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M-H+Cl"	33.962126
"543316"	1379.480113	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M-H+Cl"	33.962126
"934645"	471.147413	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-H+Cl"	33.962126
"278668"	1851.634802	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+Cl"	34.969402
"667807"	2759.967502	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+Cl"	34.969402
"1284587"	943.302102	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Cl"	34.969402
"23863"	1853.614006	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M-2H+K"	36.948606
"464517"	2761.946706	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M-2H+K"	36.948606
"835757"	945.281306	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-2H+K"	36.948606
"1566900"	945.281306	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+K-2H"	36.948606
"951502"	953.330894	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-H+HCOOH"	44.998194
"371906"	1861.663601	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+HCOOH-H"	44.998201
"355793"	1875.679251	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+Hac-H"	59.013851
"1500252"	967.346551	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Hac-H"	59.013851
"965607"	975.312851	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-H+NaCOOH"	66.980151
"116700"	943.302102	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+2Cl"	69.938804
"554074"	1397.468452	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+2Cl"	69.938804
"1023237"	489.135752	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2Cl"	69.938804
"1243545"	987.251585	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Br"	78.918885
"1310367"	989.307572	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Cl+HCOOH"	80.974872
"1328958"	1011.289529	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Cl+NaCOOH"	102.956829
"916737"	1021.318286	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M-H+CF3COOH"	112.985586
"1298914"	1057.294964	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Cl+CF3COOH"	148.962264
"1378904"	873.320024	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H-2H2O"	-35.012676
"1395669"	891.33	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H-H2O"	-17.0027
"288797"	1817.672676	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+H"	1.007276
"682311"	2726.005376	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+H"	1.007276
"1360851"	909.339976	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H"	1.007276
"134833"	909.339976	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+2H"	2.014552
"570018"	1363.506326	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+2H"	2.014552
"1049391"	455.173626	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2H"	2.014552
"214375"	606.562409333333	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+3H"	3.021828
"653941"	909.339976	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+3H"	3.021828
"1177167"	303.784842666667	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+3H"	3.021828
"435336"	1834.699223	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+NH4"	18.033823
"793050"	2743.031923	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+NH4"	18.033823
"1688290"	926.366523	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+NH4"	18.033823
"334382"	917.8532495	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+H+NH4"	19.041099
"728991"	1372.0195995	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+H+NH4"	19.041099
"1484996"	463.6868995	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H+NH4"	19.041099
"402583"	1839.654618	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+Na"	22.989218
"758109"	2747.987318	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+Na"	22.989218
"1613865"	931.321918	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Na"	22.989218
"315150"	920.330947	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+H+Na"	23.996494
"711949"	1374.497297	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+H+Na"	23.996494
"1466866"	466.164597	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H+Na"	23.996494
"1054643"	311.112156666667	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2H+Na"	25.00377
"1258633"	941.366186	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+CH3OH+H"	33.033486
"382554"	1855.628558	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+K"	38.963158
"742458"	2763.961258	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+K"	38.963158
"1544513"	947.295858	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+K"	38.963158
"306065"	928.317917	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+H+K"	39.970434
"700672"	1382.484267	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+H+K"	39.970434
"1447932"	474.151567	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H+K"	39.970434
"244188"	1858.699226	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+ACN+H"	42.033826
"1216896"	950.366526	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+ACN+H"	42.033826
"1200783"	475.686901	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+ACN+2H"	43.041102
"193654"	1861.63656	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+2Na-H"	44.97116
"637588"	2769.96926	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+2Na-H"	44.97116
"1138905"	953.30386	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2Na-H"	44.97116
"186938"	931.321918	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+2Na"	45.978436
"623582"	1385.488268	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+2Na"	45.978436
"1126723"	477.155568	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2Na"	45.978436
"1408787"	318.439470666667	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H+2Na"	46.985712
"1441268"	955.345446	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H+HCOOH"	47.012746
"229142"	936.35494	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+3H2O+2H"	56.04448
"1520852"	969.39749	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+IsoProp+H"	61.06479
"415075"	939.308888	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+Na+K"	61.952376
"770965"	1393.475238	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+Na+K"	61.952376
"1667661"	485.142538	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Na+K"	61.952376
"257097"	1880.681168	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+ACN+Na"	64.015768
"1232357"	972.348468	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+ACN+Na"	64.015768
"1721607"	972.371993	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+NH4+HCOOH"	64.039293
"1182952"	325.766784666667	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+3Na"	68.967654
"1656126"	977.327388	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Na+HCOOH"	68.994688
"165901"	1893.58444	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+2K-H"	76.91904
"609836"	2801.91714	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+2K-H"	76.91904
"1097631"	985.25174	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2K-H"	76.91904
"154447"	947.295858	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"2M+2K"	77.926316
"594009"	1401.462208	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"3M+2K"	77.926316
"1075237"	493.129508	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2K"	77.926316
"1108446"	987.266292	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2K+H"	78.933592
"1341552"	987.353907	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+DMSO+H"	79.021207
"1012268"	991.393076	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2ACN+H"	83.060376
"1526382"	992.386708	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+IsoProp+Na+H"	84.054008
"996847"	496.200176	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+2ACN+2H"	84.067652
"1594633"	993.301328	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+K+HCOOH"	84.968628
"1417013"	1023.332838	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+H+CF3COOH"	115.000138
"1151677"	516.713451	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+3ACN+2H"	125.094202
"1701228"	1040.359385	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+NH4+CF3COOH"	132.026685
"1642349"	1045.31478	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+Na+CF3COOH"	136.98208
"1583467"	1061.28872	"C06407"	"Precorrin 4"	"C44H52N4O17"	"908.3327"	"M+K+CF3COOH"	152.95602
"803990"	880.4106	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M"	0
"984083"	861.39221	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-H2O-H"	-19.01839
"70141"	585.933124	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M-3H"	-3.021828
"512981"	879.403324	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M-3H"	-3.021828
"888596"	292.462924	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-3H"	-3.021828
"13003"	879.403324	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M-2H"	-2.014552
"444543"	1319.608624	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M-2H"	-2.014552
"824531"	439.198024	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-2H"	-2.014552
"85617"	1759.813924	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M-H"	-1.007276
"522989"	2640.224524	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M-H"	-1.007276
"900790"	879.403324	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-H"	-1.007276
"49337"	1776.840471	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M-2H+NH4"	16.019271
"489259"	2657.251071	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M-2H+NH4"	16.019271
"875821"	896.429871	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-2H+NH4"	16.019271
"44451"	1781.795866	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M-2H+Na"	20.974666
"484860"	2662.206466	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M-2H+Na"	20.974666
"857801"	901.385266	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-2H+Na"	20.974666
"1628428"	901.385266	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Na-2H"	20.974666
"104957"	897.391663	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M-H+Cl"	33.962126
"544519"	1337.596963	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M-H+Cl"	33.962126
"938035"	457.186363	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-H+Cl"	33.962126
"279507"	1795.790602	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+Cl"	34.969402
"664637"	2676.201202	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+Cl"	34.969402
"1283604"	915.380002	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Cl"	34.969402
"23973"	1797.769806	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M-2H+K"	36.948606
"464627"	2678.180406	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M-2H+K"	36.948606
"834774"	917.359206	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-2H+K"	36.948606
"1565917"	917.359206	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+K-2H"	36.948606
"949425"	925.408794	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-H+HCOOH"	44.998194
"372016"	1805.819401	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+HCOOH-H"	44.998201
"350437"	1819.835051	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+Hac-H"	59.013851
"1500362"	939.424451	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Hac-H"	59.013851
"964624"	947.390751	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-H+NaCOOH"	66.980151
"117905"	915.380002	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+2Cl"	69.938804
"557463"	1355.585302	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+2Cl"	69.938804
"1025167"	475.174702	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2Cl"	69.938804
"1242682"	959.329485	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Br"	78.918885
"1307197"	961.385472	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Cl+HCOOH"	80.974872
"1325788"	983.367429	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Cl+NaCOOH"	102.956829
"916847"	993.396186	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M-H+CF3COOH"	112.985586
"1297931"	1029.372864	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Cl+CF3COOH"	148.962264
"1378650"	845.397924	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H-2H2O"	-35.012676
"1391406"	863.4079	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H-H2O"	-17.0027
"287813"	1761.828476	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+H"	1.007276
"681328"	2642.239076	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+H"	1.007276
"1359868"	881.417876	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H"	1.007276
"137130"	881.417876	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+2H"	2.014552
"570129"	1321.623176	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+2H"	2.014552
"1049501"	441.212576	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2H"	2.014552
"215949"	587.947676	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+3H"	3.021828
"655510"	881.417876	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+3H"	3.021828
"1176914"	294.477476	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+3H"	3.021828
"433262"	1778.855023	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+NH4"	18.033823
"794256"	2659.265623	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+NH4"	18.033823
"1686215"	898.444423	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+NH4"	18.033823
"334492"	889.9311495	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+H+NH4"	19.041099
"731288"	1330.1364495	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+H+NH4"	19.041099
"1484014"	449.7258495	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H+NH4"	19.041099
"402695"	1783.810418	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+Na"	22.989218
"761500"	2664.221018	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+Na"	22.989218
"1614341"	903.399818	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Na"	22.989218
"318541"	892.408847	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+H+Na"	23.996494
"713153"	1332.614147	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+H+Na"	23.996494
"1470256"	452.203547	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H+Na"	23.996494
"1054757"	301.80479	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2H+Na"	25.00377
"1258623"	913.444086	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+CH3OH+H"	33.033486
"382664"	1799.784358	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+K"	38.963158
"743660"	2680.194958	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+K"	38.963158
"1542433"	919.373758	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+K"	38.963158
"301798"	900.395817	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+H+K"	39.970434
"695314"	1340.601117	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+H+K"	39.970434
"1448406"	460.190517	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H+K"	39.970434
"242112"	1802.855026	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+ACN+H"	42.033826
"1217006"	922.444426	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+ACN+H"	42.033826
"1200893"	461.725851	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+ACN+2H"	43.041102
"192671"	1805.79236	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+2Na-H"	44.97116
"634417"	2686.20296	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+2Na-H"	44.97116
"1139015"	925.38176	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2Na-H"	44.97116
"185955"	903.399818	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+2Na"	45.978436
"623328"	1343.605118	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+2Na"	45.978436
"1126469"	463.194518	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2Na"	45.978436
"1407804"	309.132104	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H+2Na"	46.985712
"1441378"	927.423346	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H+HCOOH"	47.012746
"231440"	908.43284	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+3H2O+2H"	56.04448
"1519869"	941.47539	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+IsoProp+H"	61.06479
"415185"	911.386788	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+Na+K"	61.952376
"770711"	1351.592088	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+Na+K"	61.952376
"1667771"	471.181488	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Na+K"	61.952376
"255750"	1824.836968	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+ACN+Na"	64.015768
"1231374"	944.426368	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+ACN+Na"	64.015768
"1720623"	944.449893	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+NH4+HCOOH"	64.039293
"1189260"	316.459418	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+3Na"	68.967654
"1654778"	949.405288	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Na+HCOOH"	68.994688
"163097"	1837.74024	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+2K-H"	76.91904
"607760"	2718.15084	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+2K-H"	76.91904
"1094461"	957.32964	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2K-H"	76.91904
"153463"	919.373758	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"2M+2K"	77.926316
"593875"	1359.579058	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"3M+2K"	77.926316
"1075348"	479.168458	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2K"	77.926316
"1111837"	959.344192	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2K+H"	78.933592
"1342756"	959.431807	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+DMSO+H"	79.021207
"1011284"	963.470976	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2ACN+H"	83.060376
"1526369"	964.464608	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+IsoProp+Na+H"	84.054008
"996957"	482.239126	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+2ACN+2H"	84.067652
"1590367"	965.379228	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+K+HCOOH"	84.968628
"1416026"	995.410738	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+H+CF3COOH"	115.000138
"1151787"	502.752401	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+3ACN+2H"	125.094202
"1701338"	1012.437285	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+NH4+CF3COOH"	132.026685
"1642459"	1017.39268	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+Na+CF3COOH"	136.98208
"1583577"	1033.36662	"C06408"	"Precorrin 8X;Precorrin 8;Precorrin-8X"	"C45H60N4O14"	"880.4106"	"M+K+CF3COOH"	152.95602
"804103"	129.0578	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M"	0
"984196"	110.03941	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-H2O-H"	-19.01839
"70252"	85.0312573333333	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M-3H"	-3.021828
"514186"	128.050524	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M-3H"	-3.021828
"891986"	42.0119906666667	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-3H"	-3.021828
"12747"	128.050524	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M-2H"	-2.014552
"446841"	192.579424	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M-2H"	-2.014552
"818812"	63.521624	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-2H"	-2.014552
"82811"	257.108324	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M-H"	-1.007276
"524200"	386.166124	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M-H"	-1.007276
"907471"	128.050524	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-H"	-1.007276
"60031"	274.134871	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M-2H+NH4"	16.019271
"499105"	403.192671	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M-2H+NH4"	16.019271
"866089"	145.077071	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-2H+NH4"	16.019271
"40552"	279.090266	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M-2H+Na"	20.974666
"480113"	408.148066	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M-2H+Na"	20.974666
"851352"	150.032466	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-2H+Na"	20.974666
"1623075"	150.032466	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Na-2H"	20.974666
"99604"	146.038863	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M-H+Cl"	33.962126
"536977"	210.567763	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M-H+Cl"	33.962126
"932676"	81.509963	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-H+Cl"	33.962126
"275610"	293.085002	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+Cl"	34.969402
"668031"	422.142802	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+Cl"	34.969402
"1282622"	164.027202	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Cl"	34.969402
"24085"	295.064206	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M-2H+K"	36.948606
"461458"	424.122006	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M-2H+K"	36.948606
"841450"	166.006406	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-2H+K"	36.948606
"1562751"	166.006406	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+K-2H"	36.948606
"951730"	174.055994	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-H+HCOOH"	44.998194
"368851"	303.113801	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+HCOOH-H"	44.998201
"351641"	317.129451	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+Hac-H"	59.013851
"1498285"	188.071651	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Hac-H"	59.013851
"964731"	196.037951	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-H+NaCOOH"	66.980151
"114734"	164.027202	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+2Cl"	69.938804
"556480"	228.556102	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+2Cl"	69.938804
"1027469"	99.498302	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2Cl"	69.938804
"1244132"	207.976685	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Br"	78.918885
"1311686"	210.032672	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Cl+HCOOH"	80.974872
"1331370"	232.014629	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Cl+NaCOOH"	102.956829
"921337"	242.043386	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M-H+CF3COOH"	112.985586
"1295860"	278.020064	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Cl+CF3COOH"	148.962264
"1379488"	94.045124	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H-2H2O"	-35.012676
"1392612"	112.0551	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H-H2O"	-17.0027
"292298"	259.122876	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+H"	1.007276
"684718"	388.180676	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+H"	1.007276
"1361069"	130.065076	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H"	1.007276
"133960"	130.065076	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+2H"	2.014552
"571333"	194.593976	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+2H"	2.014552
"1047788"	65.536176	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2H"	2.014552
"214595"	87.0458093333333	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+3H"	3.021828
"657804"	130.065076	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+3H"	3.021828
"1175202"	44.0265426666667	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+3H"	3.021828
"434467"	276.149423	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+NH4"	18.033823
"798739"	405.207223	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+NH4"	18.033823
"1693976"	147.091623	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+NH4"	18.033823
"343344"	138.5783495	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+H+NH4"	19.041099
"737226"	203.1072495	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+H+NH4"	19.041099
"1489591"	74.0494495	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H+NH4"	19.041099
"395874"	281.104818	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+Na"	22.989218
"758331"	410.162618	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+Na"	22.989218
"1609712"	152.047018	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Na"	22.989218
"317568"	141.056047	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+H+Na"	23.996494
"709260"	205.584947	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+H+Na"	23.996494
"1464173"	76.527147	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H+Na"	23.996494
"1054865"	51.3538566666667	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2H+Na"	25.00377
"1258731"	162.091286	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+CH3OH+H"	33.033486
"383873"	297.078758	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+K"	38.963158
"748150"	426.136558	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+K"	38.963158
"1548019"	168.020958	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+K"	38.963158
"304100"	149.043017	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+H+K"	39.970434
"696523"	213.571917	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+H+K"	39.970434
"1453624"	84.514117	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H+K"	39.970434
"237851"	300.149426	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+ACN+H"	42.033826
"1213473"	171.091626	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+ACN+H"	42.033826
"1196264"	86.049451	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+ACN+2H"	43.041102
"197156"	303.08676	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+2Na-H"	44.97116
"637815"	432.14456	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+2Na-H"	44.97116
"1138038"	174.02896	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2Na-H"	44.97116
"182422"	152.047018	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+2Na"	45.978436
"617607"	216.575918	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+2Na"	45.978436
"1121112"	87.518118	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2Na"	45.978436
"1410835"	58.6811706666667	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H+2Na"	46.985712
"1438584"	176.070546	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H+HCOOH"	47.012746
"228646"	157.08004	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+3H2O+2H"	56.04448
"1512332"	190.12259	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+IsoProp+H"	61.06479
"413111"	160.033988	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+Na+K"	61.952376
"773012"	224.562888	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+Na+K"	61.952376
"1668613"	95.505088	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Na+K"	61.952376
"252578"	322.131368	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+ACN+Na"	64.015768
"1228203"	193.073568	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+ACN+Na"	64.015768
"1713440"	193.097093	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+NH4+HCOOH"	64.039293
"1179890"	66.0084846666667	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+3Na"	68.967654
"1653064"	198.052488	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Na+HCOOH"	68.994688
"158466"	335.03464	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+2K-H"	76.91904
"599484"	464.09244	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+2K-H"	76.91904
"1094568"	205.97684	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2K-H"	76.91904
"148104"	168.020958	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"2M+2K"	77.926316
"582318"	232.549858	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"3M+2K"	77.926316
"1071080"	103.492058	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2K"	77.926316
"1101012"	207.991392	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2K+H"	78.933592
"1340675"	208.079007	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+DMSO+H"	79.021207
"1010309"	212.118176	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2ACN+H"	83.060376
"1528431"	213.111808	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+IsoProp+Na+H"	84.054008
"993787"	106.562726	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+2ACN+2H"	84.067652
"1589021"	214.026428	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+K+HCOOH"	84.968628
"1424892"	244.057938	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+H+CF3COOH"	115.000138
"1154087"	127.076001	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+3ACN+2H"	125.094202
"1703637"	261.084485	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+NH4+CF3COOH"	132.026685
"1645852"	266.03988	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+Na+CF3COOH"	136.98208
"1586970"	282.01382	"C06413"	"Quinoline;Benzobpyridine"	"C9H7N"	"129.0578"	"M+K+CF3COOH"	152.95602
"807496"	173.0477	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M"	0
"975315"	154.02931	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-H2O-H"	-19.01839
"66352"	114.357857333333	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M-3H"	-3.021828
"504818"	172.040424	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M-3H"	-3.021828
"882621"	56.6752906666667	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-3H"	-3.021828
"1074"	172.040424	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M-2H"	-2.014552
"441488"	258.564274	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M-2H"	-2.014552
"821477"	85.516574	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-2H"	-2.014552
"84750"	345.088124	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M-H"	-1.007276
"526498"	518.135824	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M-H"	-1.007276
"908679"	172.040424	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-H"	-1.007276
"57587"	362.114671	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M-2H+NH4"	16.019271
"501278"	535.162371	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M-2H+NH4"	16.019271
"874949"	189.066971	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-2H+NH4"	16.019271
"40662"	367.070066	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M-2H+Na"	20.974666
"481317"	540.117766	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M-2H+Na"	20.974666
"850734"	194.022366	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-2H+Na"	20.974666
"1620269"	194.022366	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Na-2H"	20.974666
"102994"	190.028763	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M-H+Cl"	33.962126
"537087"	276.552613	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M-H+Cl"	33.962126
"937164"	103.504913	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-H+Cl"	33.962126
"274627"	381.064802	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+Cl"	34.969402
"668142"	554.112502	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+Cl"	34.969402
"1278360"	208.017102	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Cl"	34.969402
"27476"	383.044006	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M-2H+K"	36.948606
"469226"	556.091706	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M-2H+K"	36.948606
"845935"	209.996306	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-2H+K"	36.948606
"1565052"	209.996306	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+K-2H"	36.948606
"950747"	218.045894	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-H+HCOOH"	44.998194
"372243"	391.093601	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+HCOOH-H"	44.998201
"359406"	405.109251	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+Hac-H"	59.013851
"1499492"	232.061551	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Hac-H"	59.013851
"969221"	240.027851	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-H+NaCOOH"	66.980151
"115941"	208.017102	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+2Cl"	69.938804
"556594"	294.540952	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+2Cl"	69.938804
"1025758"	121.493252	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2Cl"	69.938804
"1248622"	251.966585	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Br"	78.918885
"1313990"	254.022572	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Cl+HCOOH"	80.974872
"1324195"	276.004529	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Cl+NaCOOH"	102.956829
"915250"	286.033286	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M-H+CF3COOH"	112.985586
"1294875"	322.009964	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Cl+CF3COOH"	148.962264
"1369758"	138.035024	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H-2H2O"	-35.012676
"1390534"	156.045	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H-H2O"	-17.0027
"286210"	347.102676	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+H"	1.007276
"679726"	520.150376	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+H"	1.007276
"1354618"	174.054976	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H"	1.007276
"130788"	174.054976	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+2H"	2.014552
"570712"	260.578826	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+2H"	2.014552
"1042429"	87.531126	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2H"	2.014552
"205960"	116.372409333333	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+3H"	3.021828
"652081"	174.054976	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+3H"	3.021828
"1171298"	58.6898426666667	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+3H"	3.021828
"436758"	364.129223	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+NH4"	18.033823
"795571"	537.176923	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+NH4"	18.033823
"1694086"	191.081523	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+NH4"	18.033823
"342363"	182.5682495	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+H+NH4"	19.041099
"735876"	269.0920995	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+H+NH4"	19.041099
"1485323"	96.0443995	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H+NH4"	19.041099
"396354"	369.084618	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+Na"	22.989218
"761725"	542.132318	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+Na"	22.989218
"1610918"	196.036918	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Na"	22.989218
"318769"	185.045947	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+H+Na"	23.996494
"715565"	271.569797	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+H+Na"	23.996494
"1461725"	98.522097	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H+Na"	23.996494
"1054974"	66.0171566666667	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2H+Na"	25.00377
"1257748"	206.081186	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+CH3OH+H"	33.033486
"388357"	385.058558	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+K"	38.963158
"746076"	558.106258	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+K"	38.963158
"1548129"	212.010858	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+K"	38.963158
"306396"	193.032917	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+H+K"	39.970434
"698821"	279.556767	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+H+K"	39.970434
"1458109"	106.509067	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H+K"	39.970434
"239054"	388.129226	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+ACN+H"	42.033826
"1213950"	215.081526	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+ACN+H"	42.033826
"1198927"	108.044401	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+ACN+2H"	43.041102
"197266"	391.06656	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+2Na-H"	44.97116
"641933"	564.11426	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+2Na-H"	44.97116
"1143614"	218.01886	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2Na-H"	44.97116
"185813"	196.036918	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+2Na"	45.978436
"624278"	282.560768	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+2Na"	45.978436
"1124503"	109.513068	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2Na"	45.978436
"1410216"	73.3444706666667	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H+2Na"	46.985712
"1437965"	220.060446	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H+HCOOH"	47.012746
"227662"	201.06994	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+3H2O+2H"	56.04448
"1512806"	234.11249	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+IsoProp+H"	61.06479
"413221"	204.023888	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+Na+K"	61.952376
"773488"	290.547738	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+Na+K"	61.952376
"1666174"	117.500038	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Na+K"	61.952376
"253056"	410.111168	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+ACN+Na"	64.015768
"1226612"	237.063468	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+ACN+Na"	64.015768
"1712815"	237.086993	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+NH4+HCOOH"	64.039293
"1178535"	80.6717846666667	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+3Na"	68.967654
"1650579"	242.042388	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Na+HCOOH"	68.994688
"157358"	423.01444	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+2K-H"	76.91904
"597526"	596.06214	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+2K-H"	76.91904
"1084710"	249.96674	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2K-H"	76.91904
"142381"	212.010858	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"2M+2K"	77.926316
"582429"	298.534708	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"3M+2K"	77.926316
"1071927"	125.487008	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2K"	77.926316
"1101000"	251.981292	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2K+H"	78.933592
"1339705"	252.068907	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+DMSO+H"	79.021207
"1008231"	256.108076	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2ACN+H"	83.060376
"1525259"	257.101708	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+IsoProp+Na+H"	84.054008
"993169"	128.557676	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+2ACN+2H"	84.067652
"1588404"	258.016328	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+K+HCOOH"	84.968628
"1427191"	288.047838	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+H+CF3COOH"	115.000138
"1153104"	149.070951	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+3ACN+2H"	125.094202
"1703748"	305.074385	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+NH4+CF3COOH"	132.026685
"1635389"	310.02978	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+Na+CF3COOH"	136.98208
"1583800"	326.00372	"C06414"	"4-Quinolinecarboxylic acid;Quinoline-4-carboxylate;Quinoline-4-carboxylic acid;Cinchonic acid"	"C10H7NO2"	"173.0477"	"M+K+CF3COOH"	152.95602
"804323"	145.0528	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M"	0
"974576"	126.03441	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-H2O-H"	-19.01839
"62974"	95.6945906666667	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M-3H"	-3.021828
"504565"	144.045524	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M-3H"	-3.021828
"880302"	47.3436573333333	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-3H"	-3.021828
"73"	144.045524	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M-2H"	-2.014552
"441598"	216.571924	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M-2H"	-2.014552
"821587"	71.519124	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-2H"	-2.014552
"84860"	289.098324	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M-H"	-1.007276
"524421"	434.151124	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M-H"	-1.007276
"908786"	144.045524	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-H"	-1.007276
"60980"	306.124871	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M-2H+NH4"	16.019271
"501629"	451.177671	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M-2H+NH4"	16.019271
"877245"	161.072071	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-2H+NH4"	16.019271
"37492"	311.080266	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M-2H+Na"	20.974666
"481427"	456.133066	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M-2H+Na"	20.974666
"850480"	166.027466	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-2H+Na"	20.974666
"1620015"	166.027466	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Na-2H"	20.974666
"103104"	162.033863	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M-H+Cl"	33.962126
"537197"	234.560263	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M-H+Cl"	33.962126
"937274"	89.507463	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-H+Cl"	33.962126
"274737"	325.075002	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+Cl"	34.969402
"666066"	470.127802	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+Cl"	34.969402
"1277377"	180.022202	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Cl"	34.969402
"26493"	327.054206	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M-2H+K"	36.948606
"468608"	472.107006	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M-2H+K"	36.948606
"842765"	182.001406	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-2H+K"	36.948606
"1564068"	182.001406	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+K-2H"	36.948606
"950857"	190.050994	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-H+HCOOH"	44.998194
"375269"	335.103801	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+HCOOH-H"	44.998201
"359516"	349.119451	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+Hac-H"	59.013851
"1502882"	204.066651	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Hac-H"	59.013851
"971518"	212.032951	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-H+NaCOOH"	66.980151
"117144"	180.022202	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+2Cl"	69.938804
"561079"	252.548602	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+2Cl"	69.938804
"1025868"	107.495802	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2Cl"	69.938804
"1249463"	223.971685	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Br"	78.918885
"1313006"	226.027672	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Cl+HCOOH"	80.974872
"1323940"	248.009629	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Cl+NaCOOH"	102.956829
"919371"	258.038386	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M-H+CF3COOH"	112.985586
"1293892"	294.015064	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Cl+CF3COOH"	148.962264
"1370232"	110.040124	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H-2H2O"	-35.012676
"1385177"	128.0501	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H-H2O"	-17.0027
"284497"	291.112876	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+H"	1.007276
"678744"	436.165676	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+H"	1.007276
"1353999"	146.060076	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H"	1.007276
"133085"	146.060076	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+2H"	2.014552
"571554"	218.586476	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+2H"	2.014552
"1046553"	73.533676	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2H"	2.014552
"210444"	97.7091426666667	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+3H"	3.021828
"656564"	146.060076	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+3H"	3.021828
"1176876"	49.3582093333333	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+3H"	3.021828
"433593"	308.139423	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+NH4"	18.033823
"793492"	453.192223	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+NH4"	18.033823
"1693832"	163.086623	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+NH4"	18.033823
"341378"	154.5733495	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+H+NH4"	19.041099
"733800"	227.0997495	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+H+NH4"	19.041099
"1486525"	82.0469495	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H+NH4"	19.041099
"400839"	313.094818	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+Na"	22.989218
"761835"	458.147618	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+Na"	22.989218
"1611028"	168.042018	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Na"	22.989218
"324349"	157.051047	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+H+Na"	23.996494
"715675"	229.577447	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+H+Na"	23.996494
"1464025"	84.524647	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H+Na"	23.996494
"1056177"	56.6855233333333	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2H+Na"	25.00377
"1258586"	178.086286	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+CH3OH+H"	33.033486
"387376"	329.068758	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+K"	38.963158
"746187"	474.121558	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+K"	38.963158
"1550428"	184.015958	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+K"	38.963158
"303229"	165.038017	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+H+K"	39.970434
"700024"	237.564417	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+H+K"	39.970434
"1454938"	92.511617	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H+K"	39.970434
"238070"	332.139426	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+ACN+H"	42.033826
"1212967"	187.086626	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+ACN+H"	42.033826
"1200131"	94.046951	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+ACN+2H"	43.041102
"197376"	335.07676	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+2Na-H"	44.97116
"640219"	480.12956	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+2Na-H"	44.97116
"1141537"	190.02396	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2Na-H"	44.97116
"185194"	168.042018	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+2Na"	45.978436
"624024"	240.568418	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+2Na"	45.978436
"1119146"	95.515618	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2Na"	45.978436
"1410326"	64.0128373333333	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H+2Na"	46.985712
"1441354"	192.065546	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H+HCOOH"	47.012746
"231053"	173.07504	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+3H2O+2H"	56.04448
"1519114"	206.11759	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+IsoProp+H"	61.06479
"416612"	176.028988	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+Na+K"	61.952376
"779430"	248.555388	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+Na+K"	61.952376
"1668470"	103.502588	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Na+K"	61.952376
"255717"	354.121368	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+ACN+Na"	64.015768
"1226238"	209.068568	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+ACN+Na"	64.015768
"1712759"	209.092093	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+NH4+HCOOH"	64.039293
"1178522"	71.3401513333333	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+3Na"	68.967654
"1650368"	214.047488	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Na+HCOOH"	68.994688
"157347"	367.02464	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+2K-H"	76.91904
"597761"	512.07744	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+2K-H"	76.91904
"1085308"	221.97184	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2K-H"	76.91904
"142366"	184.015958	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"2M+2K"	77.926316
"582660"	256.542358	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"3M+2K"	77.926316
"1069720"	111.489558	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2K"	77.926316
"1101963"	223.986392	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2K+H"	78.933592
"1338356"	224.074007	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+DMSO+H"	79.021207
"1009436"	228.113176	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2ACN+H"	83.060376
"1525369"	229.106808	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+IsoProp+Na+H"	84.054008
"992915"	114.560226	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+2ACN+2H"	84.067652
"1589608"	230.021428	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+K+HCOOH"	84.968628
"1428760"	260.052938	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+H+CF3COOH"	115.000138
"1153215"	135.073501	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+3ACN+2H"	125.094202
"1701672"	277.079485	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+NH4+CF3COOH"	132.026685
"1635135"	282.03488	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+Na+CF3COOH"	136.98208
"1583910"	298.00882	"C06415"	"2(1H)-Quinolinone;Quinolin-2(1H)-one"	"C9H7NO"	"145.0528"	"M+K+CF3COOH"	152.95602
"807713"	922.3484	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M"	0
"977967"	903.33001	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-H2O-H"	-19.01839
"64022"	613.891657333333	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M-3H"	-3.021828
"505767"	921.341124	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M-3H"	-3.021828
"884663"	306.442190666667	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-3H"	-3.021828
"1054"	921.341124	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M-2H"	-2.014552
"441706"	1382.515324	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M-2H"	-2.014552
"817360"	460.166924	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-2H"	-2.014552
"78890"	1843.689524	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M-H"	-1.007276
"519791"	2766.037924	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M-H"	-1.007276
"909628"	921.341124	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-H"	-1.007276
"59630"	1860.716071	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M-2H+NH4"	16.019271
"498461"	2783.064471	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M-2H+NH4"	16.019271
"877965"	938.367671	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-2H+NH4"	16.019271
"43071"	1865.671466	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M-2H+Na"	20.974666
"483725"	2788.019866	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M-2H+Na"	20.974666
"858247"	943.323066	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-2H+Na"	20.974666
"1626685"	943.323066	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Na-2H"	20.974666
"103215"	939.329463	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M-H+Cl"	33.962126
"534755"	1400.503663	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M-H+Cl"	33.962126
"940664"	478.155263	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-H+Cl"	33.962126
"277036"	1879.666202	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+Cl"	34.969402
"669457"	2802.014602	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+Cl"	34.969402
"1277487"	957.317802	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Cl"	34.969402
"24417"	1881.645406	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M-2H+K"	36.948606
"468352"	2803.993806	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M-2H+K"	36.948606
"842875"	959.297006	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-2H+K"	36.948606
"1563085"	959.297006	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+K-2H"	36.948606
"949874"	967.346594	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-H+HCOOH"	44.998194
"375016"	1889.695001	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+HCOOH-H"	44.998201
"360965"	1903.710651	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+Hac-H"	59.013851
"1502992"	981.362251	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Hac-H"	59.013851
"969439"	989.328551	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-H+NaCOOH"	66.980151
"121629"	957.317802	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+2Cl"	69.938804
"560097"	1418.492002	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+2Cl"	69.938804
"1026707"	496.143602	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2Cl"	69.938804
"1249573"	1001.267285	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Br"	78.918885
"1315303"	1003.323272	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Cl+HCOOH"	80.974872
"1323686"	1025.305229	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Cl+NaCOOH"	102.956829
"919482"	1035.333986	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M-H+CF3COOH"	112.985586
"1295095"	1071.310664	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Cl+CF3COOH"	148.962264
"1374352"	887.335724	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H-2H2O"	-35.012676
"1388568"	905.3457	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H-H2O"	-17.0027
"291538"	1845.704076	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+H"	1.007276
"683960"	2768.052476	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+H"	1.007276
"1355934"	923.355676	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H"	1.007276
"131012"	923.355676	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+2H"	2.014552
"570574"	1384.529876	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+2H"	2.014552
"1044477"	462.181476	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2H"	2.014552
"210554"	615.906209333333	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+3H"	3.021828
"652304"	923.355676	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+3H"	3.021828
"1171521"	308.456742666667	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+3H"	3.021828
"430423"	1862.730623	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+NH4"	18.033823
"789229"	2785.079023	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+NH4"	18.033823
"1687747"	940.382223	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+NH4"	18.033823
"341124"	931.8689495	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+H+NH4"	19.041099
"729535"	1393.0431495	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+H+NH4"	19.041099
"1484449"	470.6947495	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H+NH4"	19.041099
"393779"	1867.686018	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+Na"	22.989218
"758665"	2790.034418	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+Na"	22.989218
"1613693"	945.337618	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Na"	22.989218
"323002"	934.346647	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+H+Na"	23.996494
"715423"	1395.520847	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+H+Na"	23.996494
"1468510"	473.172447	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H+Na"	23.996494
"1059568"	315.784056666667	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2H+Na"	25.00377
"1262344"	955.381886	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+CH3OH+H"	33.033486
"385300"	1883.659958	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+K"	38.963158
"745204"	2806.008358	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+K"	38.963158
"1550538"	961.311558	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+K"	38.963158
"303339"	942.333617	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+H+K"	39.970434
"700134"	1403.507817	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+H+K"	39.970434
"1455048"	481.159417	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H+K"	39.970434
"242556"	1886.730626	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+ACN+H"	42.033826
"1217452"	964.382226	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+ACN+H"	42.033826
"1207536"	482.694751	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+ACN+2H"	43.041102
"200405"	1889.66796	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+2Na-H"	44.97116
"639968"	2812.01636	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+2Na-H"	44.97116
"1143472"	967.31956	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2Na-H"	44.97116
"184939"	945.337618	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+2Na"	45.978436
"622312"	1406.511818	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+2Na"	45.978436
"1119256"	484.163418	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2Na"	45.978436
"1409343"	323.111370666667	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H+2Na"	46.985712
"1441464"	969.361146	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H+HCOOH"	47.012746
"231163"	950.37064	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+3H2O+2H"	56.04448
"1519224"	983.41319	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+IsoProp+H"	61.06479
"418908"	953.324588	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+Na+K"	61.952376
"778811"	1414.498788	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+Na+K"	61.952376
"1667849"	492.150388	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Na+K"	61.952376
"252911"	1908.712568	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+ACN+Na"	64.015768
"1226348"	986.364168	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+ACN+Na"	64.015768
"1712925"	986.387693	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+NH4+HCOOH"	64.039293
"1178488"	330.438684666667	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+3Na"	68.967654
"1649963"	991.343088	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Na+HCOOH"	68.994688
"157541"	1921.61584	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+2K-H"	76.91904
"597669"	2843.96424	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+2K-H"	76.91904
"1085057"	999.26744	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2K-H"	76.91904
"142965"	961.311558	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"2M+2K"	77.926316
"582284"	1422.485758	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"3M+2K"	77.926316
"1068779"	500.137358	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2K"	77.926316
"1100980"	1001.281992	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2K+H"	78.933592
"1338102"	1001.369607	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+DMSO+H"	79.021207
"1007721"	1005.408776	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2ACN+H"	83.060376
"1524751"	1006.402408	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+IsoProp+Na+H"	84.054008
"990263"	503.208026	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+2ACN+2H"	84.067652
"1588987"	1007.317028	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+K+HCOOH"	84.968628
"1426318"	1037.348538	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+H+CF3COOH"	115.000138
"1153325"	523.721301	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+3ACN+2H"	125.094202
"1701782"	1054.375085	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+NH4+CF3COOH"	132.026685
"1634313"	1059.33048	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+Na+CF3COOH"	136.98208
"1574179"	1075.30442	"C06416"	"Precorrin 5"	"C45H54N4O17"	"922.3484"	"M+K+CF3COOH"	152.95602
"805636"	117.079	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M"	0
"975890"	98.06061	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"64130"	77.0453906666667	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"508061"	116.071724	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"882951"	38.0190573333333	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"310"	116.071724	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"441816"	174.611224	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"818888"	57.532224	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"79245"	233.150724	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"520022"	350.229724	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"907557"	116.071724	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"59015"	250.177271	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"500029"	367.256271	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"876371"	133.098271	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"37713"	255.132666	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"483471"	372.211666	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"859450"	138.053666	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1626795"	138.053666	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"103325"	134.060063	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"535229"	192.599563	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"940774"	75.520563	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"277146"	269.127402	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"669567"	386.206402	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1277597"	152.048402	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"24527"	271.106606	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"464090"	388.185606	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"841892"	154.027606	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1563195"	154.027606	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"951076"	162.077194	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"375855"	279.156201	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"360466"	293.171851	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1503102"	176.092851	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"969549"	184.059151	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"122833"	152.048402	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"560207"	210.587902	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1026817"	93.508902	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1249684"	195.997885	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1315778"	198.053872	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1330722"	220.035829	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"918497"	230.064586	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1293020"	266.041264	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1372274"	82.066324	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1388678"	100.0763	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"290554"	235.165276	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"685164"	352.244276	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1357137"	118.086276	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"133309"	118.086276	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"572871"	176.625776	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1045680"	59.546776	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"211758"	79.0599426666667	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"650228"	118.086276	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1172724"	40.0336093333333	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"431626"	252.191823	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"788245"	369.270823	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1687857"	135.112823	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"341964"	126.5995495	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"734385"	185.1390495	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1484559"	68.0600495	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"393604"	257.147218	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"754562"	374.226218	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1610155"	140.068218	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"323475"	129.077247	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"715895"	187.616747	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1462541"	70.537747	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1059678"	47.3609233333333	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1260263"	150.112486	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"385039"	273.121158	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"745314"	390.200158	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1547367"	156.042158	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"304542"	137.064217	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"701337"	195.603717	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1451878"	78.524717	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"239386"	276.191826	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1217562"	159.112826	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1206916"	80.060051	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"199423"	279.12916	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"636063"	396.20816	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1139569"	162.05016	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"180674"	140.068218	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"622422"	198.607718	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1119366"	81.528718	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1407264"	54.6882373333333	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1442667"	164.091746	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"229081"	145.10124	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1521519"	178.14379	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"420111"	148.055188	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"781108"	206.594688	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1668690"	89.515688	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"255210"	298.173768	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1226458"	181.094768	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1712741"	181.118293	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1178553"	62.0155513333333	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1650143"	186.073688	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"157365"	311.07704	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"597535"	428.15604	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1085531"	193.99804	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"143441"	156.042158	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"582515"	214.581658	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1069336"	97.502658	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1100966"	196.012592	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1341129"	196.100207	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1009654"	200.139376	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1524860"	201.133008	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"990577"	100.573326	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1592012"	202.047628	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1416584"	232.079138	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1153435"	121.086601	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1698612"	249.105685	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1636449"	254.06108	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1577569"	270.03502	"C06417"	"D-Valine;(R)-2-Amino-3-methylbutyric acid"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"816725"	131.0946	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M"	0
"984749"	112.07621	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"68616"	86.389124	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"508176"	130.087324	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"882697"	42.690924	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"1637"	130.087324	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"447393"	195.634624	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"818637"	64.540024	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"89565"	261.181924	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"525844"	392.276524	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"907667"	130.087324	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"59854"	278.208471	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"499414"	409.303071	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"876852"	147.113871	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"41105"	283.163866	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"484676"	414.258466	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"861747"	152.069266	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1633466"	152.069266	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"108422"	148.075663	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"547369"	213.622963	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"940162"	82.528363	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"280174"	297.158602	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"672959"	428.253202	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1285727"	166.064002	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"27917"	299.137806	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"467118"	430.232406	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"843095"	168.043206	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1565493"	168.043206	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"954467"	176.092794	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"371592"	307.187401	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"357659"	321.203051	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1501025"	190.108451	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"966379"	198.074751	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"119663"	166.064002	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"560317"	231.611302	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1026928"	100.516702	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1251980"	210.013485	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1315522"	212.069472	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1333385"	234.051429	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"918610"	244.080186	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1293495"	280.056864	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1370928"	96.081924	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1385508"	114.0919	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"290664"	263.196476	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"687096"	394.291076	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1359435"	132.101876	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"134514"	132.101876	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"570793"	197.649176	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1047249"	66.554576	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"214060"	88.403676	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"657264"	132.101876	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1172839"	44.705476	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"431736"	280.223023	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"790543"	411.317623	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1687968"	149.128423	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"340620"	140.6151495	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"733038"	206.1624495	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1489044"	75.0678495	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"395702"	285.178418	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"762166"	416.273018	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1603457"	154.083818	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"327961"	143.092847	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"717832"	208.640147	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1470917"	77.545547	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1061976"	52.03279	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1264750"	164.128086	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"387702"	301.152358	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"745423"	432.246958	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1548567"	170.057758	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"305745"	151.079817	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"699260"	216.627117	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1450893"	85.532517	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"246057"	304.223026	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1223144"	173.128426	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1205203"	87.067851	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"201355"	307.16036	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"639822"	438.25496	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1141505"	176.06576	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"185526"	154.083818	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"623993"	219.631118	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1124945"	88.536518	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1412114"	59.360104	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1442413"	178.107346	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"232472"	159.11684	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1521265"	192.15939	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"419129"	162.070788	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"779032"	227.618088	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1676457"	96.523488	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"256415"	326.204968	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1230217"	195.110368	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1713308"	195.133893	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1178499"	66.687418	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1650377"	200.089288	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"159020"	339.10824	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"599674"	470.20284	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1089654"	208.01364	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"146469"	170.057758	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"587123"	235.605058	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1071271"	104.510458	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1103022"	210.028192	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1339413"	210.115807	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1009764"	214.154976	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1525700"	215.148608	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"994338"	107.581126	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1591030"	216.063228	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1416687"	246.094738	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1152450"	128.094401	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1698843"	263.121285	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1636559"	268.07668	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1584240"	284.05062	"C06418"	"D-Isoleucine;(2R3R)-2-Amino-3-methylvaleric acid"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"804763"	155.0695	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M"	0
"981578"	136.05111	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H2O-H"	-19.01839
"63622"	102.372390666667	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-3H"	-3.021828
"505005"	154.062224	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-3H"	-3.021828
"880253"	50.6825573333333	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-3H"	-3.021828
"1015"	154.062224	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H"	-2.014552
"443493"	231.596974	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H"	-2.014552
"820202"	76.527474	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H"	-2.014552
"87488"	309.131724	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-H"	-1.007276
"524861"	464.201224	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-H"	-1.007276
"907411"	154.062224	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H"	-1.007276
"59234"	326.158271	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+NH4"	16.019271
"500252"	481.227771	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+NH4"	16.019271
"878053"	171.088771	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+NH4"	16.019271
"44862"	331.113666	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+Na"	20.974666
"484784"	486.183166	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+Na"	20.974666
"860762"	176.044166	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+Na"	20.974666
"1632483"	176.044166	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na-2H"	20.974666
"109017"	172.050563	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-H+Cl"	33.962126
"548094"	249.585313	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-H+Cl"	33.962126
"938814"	94.515813	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+Cl"	33.962126
"279194"	345.108402	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Cl"	34.969402
"671979"	500.177902	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Cl"	34.969402
"1285109"	190.038902	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl"	34.969402
"25844"	347.087606	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M-2H+K"	36.948606
"465406"	502.157106	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M-2H+K"	36.948606
"844301"	192.018106	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-2H+K"	36.948606
"1568157"	192.018106	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K-2H"	36.948606
"955676"	200.067694	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+HCOOH"	44.998194
"373889"	355.137201	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+HCOOH-H"	44.998201
"359230"	369.152851	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Hac-H"	59.013851
"1502229"	214.083351	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Hac-H"	59.013851
"969769"	222.049651	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+NaCOOH"	66.980151
"119773"	190.038902	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Cl"	69.938804
"560795"	267.573652	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Cl"	69.938804
"1034329"	112.504152	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Cl"	69.938804
"1252090"	233.988385	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Br"	78.918885
"1316361"	236.044372	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+HCOOH"	80.974872
"1331673"	258.026329	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+NaCOOH"	102.956829
"922002"	268.055086	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M-H+CF3COOH"	112.985586
"1299805"	304.031764	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Cl+CF3COOH"	148.962264
"1373591"	120.056824	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H-2H2O"	-35.012676
"1387078"	138.0668	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H-H2O"	-17.0027
"285672"	311.146276	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H"	1.007276
"687570"	466.215776	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H"	1.007276
"1360639"	156.076776	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H"	1.007276
"133531"	156.076776	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2H"	2.014552
"570904"	233.611526	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2H"	2.014552
"1049547"	78.542026	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2H"	2.014552
"215263"	104.386942666667	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+3H"	3.021828
"654822"	156.076776	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+3H"	3.021828
"1168574"	52.6971093333333	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3H"	3.021828
"431846"	328.172823	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+NH4"	18.033823
"787373"	483.242323	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+NH4"	18.033823
"1686985"	173.103323	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4"	18.033823
"338544"	164.5900495	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+NH4"	19.041099
"733150"	242.1247995	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+NH4"	19.041099
"1486968"	87.0552995	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+NH4"	19.041099
"393381"	333.128218	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Na"	22.989218
"761183"	488.197718	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Na"	22.989218
"1603930"	178.058718	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na"	22.989218
"328071"	167.067747	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+Na"	23.996494
"713931"	244.602497	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+Na"	23.996494
"1467748"	89.532997	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+Na"	23.996494
"1060993"	60.0244233333333	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2H+Na"	25.00377
"1262673"	188.102986	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+CH3OH+H"	33.033486
"385628"	349.102158	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+K"	38.963158
"744440"	504.171658	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+K"	38.963158
"1548679"	194.032658	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K"	38.963158
"309135"	175.054717	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+H+K"	39.970434
"700463"	252.589467	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+H+K"	39.970434
"1452096"	97.519967	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+K"	39.970434
"246167"	352.172826	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+ACN+H"	42.033826
"1222886"	197.103326	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+H"	42.033826
"1205676"	99.055301	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+2H"	43.041102
"200371"	355.11016	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Na-H"	44.97116
"641387"	510.17966	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Na-H"	44.97116
"1142344"	200.04066	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Na-H"	44.97116
"184176"	178.058718	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2Na"	45.978436
"624829"	255.593468	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2Na"	45.978436
"1120679"	100.523968	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2Na"	45.978436
"1412224"	67.3517373333333	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+2Na"	46.985712
"1435232"	202.082246	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+HCOOH"	47.012746
"223834"	183.09174	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+3H2O+2H"	56.04448
"1515178"	216.13429	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+IsoProp+H"	61.06479
"417051"	186.045688	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+Na+K"	61.952376
"772583"	263.580438	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+Na+K"	61.952376
"1668910"	108.510938	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+K"	61.952376
"254337"	374.154768	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+ACN+Na"	64.015768
"1229233"	219.085268	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+ACN+Na"	64.015768
"1713055"	219.108793	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4+HCOOH"	64.039293
"1178853"	74.6790513333333	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3Na"	68.967654
"1649959"	224.064188	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+HCOOH"	68.994688
"158765"	387.05804	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2K-H"	76.91904
"598445"	542.12754	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2K-H"	76.91904
"1085390"	231.98854	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K-H"	76.91904
"145484"	194.032658	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"2M+2K"	77.926316
"587232"	271.567408	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"3M+2K"	77.926316
"1069681"	116.497908	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K"	77.926316
"1103860"	234.003092	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2K+H"	78.933592
"1338063"	234.090707	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+DMSO+H"	79.021207
"1008045"	238.129876	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2ACN+H"	83.060376
"1526533"	239.123508	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+IsoProp+Na+H"	84.054008
"991532"	119.568576	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+2ACN+2H"	84.067652
"1588222"	240.038128	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K+HCOOH"	84.968628
"1415704"	270.069638	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+H+CF3COOH"	115.000138
"1148181"	140.081851	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+3ACN+2H"	125.094202
"1702112"	287.096185	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+NH4+CF3COOH"	132.026685
"1636669"	292.05158	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+Na+CF3COOH"	136.98208
"1584350"	308.02552	"C06419"	"D-Histidine;(R)-alpha-Amino-1H-imidazole-4-propionic acid"	"C6H9N3O2"	"155.0695"	"M+K+CF3COOH"	152.95602
"804873"	181.0739	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M"	0
"982781"	162.05551	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"65555"	119.708657333333	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"504261"	180.066624	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"882550"	59.3506906666667	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"3678"	180.066624	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"441779"	270.603574	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"818853"	89.529674	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"89785"	361.140524	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"523878"	542.214424	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"907153"	180.066624	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"58246"	378.167071	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"497806"	559.240971	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"874514"	197.093171	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"42417"	383.122466	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"484163"	564.196366	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"858686"	202.048566	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1632593"	202.048566	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"109611"	198.054963	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"543215"	288.591913	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"937831"	107.518013	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"279302"	397.117202	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"671361"	578.191102	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1284490"	216.043302	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"27045"	399.096406	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"465516"	580.170306	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"844411"	218.022506	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1562432"	218.022506	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"952502"	226.072094	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"373635"	407.146001	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"358610"	421.161651	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1506350"	240.087751	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"972433"	248.054051	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"119881"	216.043302	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"563090"	306.580252	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1032616"	125.506352	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1252200"	259.992785	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1312463"	262.048772	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1326680"	284.030729	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"919925"	294.059486	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1299915"	330.036164	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1378074"	146.061224	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1391198"	164.0712	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"288333"	363.155076	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"682214"	544.228976	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1360387"	182.081176	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"134735"	182.081176	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"572108"	272.618126	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1044190"	91.544226	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"212092"	121.723209333333	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"650559"	182.081176	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1173057"	61.3652426666667	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"436329"	380.181623	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"790766"	561.255523	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1684909"	199.107723	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"338652"	190.5944495	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"733258"	281.1313995	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1484893"	100.0574995	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"393612"	385.137018	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"764577"	566.210918	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1614862"	204.063118	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"327818"	193.072147	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"720602"	283.609097	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1470049"	102.535197	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1066574"	68.6925566666667	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1260601"	214.107386	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"381359"	401.110958	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"745644"	582.184858	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1547697"	220.037058	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"308152"	201.059117	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"698387"	291.596067	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1451113"	110.522167	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"241902"	404.181626	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1222996"	223.107726	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1206149"	112.057501	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"197926"	407.11896	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"641862"	588.19286	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1142818"	226.04506	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"184286"	204.063118	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"623846"	294.600068	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1125164"	113.526168	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1410877"	76.0198706666667	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1439357"	228.086646	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"231237"	209.09614	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1518568"	242.13869	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"419348"	212.050088	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"779253"	302.587038	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1672302"	121.513138	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"257730"	426.163568	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1231532"	245.089668	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1716042"	245.113193	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1180302"	83.3471846666667	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1651043"	250.068588	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"159969"	439.06684	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"599768"	620.14074	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1087687"	257.99294	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"144501"	220.037058	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"586248"	310.574008	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1070763"	129.500108	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1103970"	260.007492	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1338902"	260.095107	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1008155"	264.134276	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1526280"	265.127908	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"991763"	132.570776	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1588328"	266.042528	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1421282"	296.074038	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1148288"	153.084051	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1700028"	313.100585	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1634592"	318.05598	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1584460"	334.02992	"C06420"	"D-Tyrosine;(R)-3-(p-Hydroxyphenyl)alanine;(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"804983"	342.1162	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M"	0
"981798"	323.09781	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"65665"	227.070190666667	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"504132"	341.108924	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"883026"	113.031457333333	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"3789"	341.108924	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"442255"	512.167024	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"817302"	170.050824	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"79318"	683.225124	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"525081"	1025.341324	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"902887"	341.108924	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"52886"	700.251671	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"497918"	1042.367871	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"877905"	358.135471	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"43622"	705.207066	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"482088"	1047.323266	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"860984"	363.090866	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1632706"	363.090866	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"107047"	359.097263	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"546977"	530.155363	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"938670"	188.039163	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"277227"	719.201802	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"672196"	1061.318002	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1282414"	377.085602	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"26065"	721.181006	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"468908"	1063.297206	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"844523"	379.064806	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1565823"	379.064806	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"951520"	387.114394	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"370829"	729.230601	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"353617"	743.246251	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1504638"	401.130051	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"969991"	409.096351	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"117805"	377.085602	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"560286"	548.143702	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1034550"	206.027502	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1250123"	421.035085	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1311480"	423.091072	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1326791"	445.073029	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"920035"	455.101786	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1297837"	491.078464	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1373082"	307.103524	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1388027"	325.1135	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"292090"	685.239676	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"687794"	1027.355876	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1358674"	343.123476	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"134844"	343.123476	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"576594"	514.181576	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1049767"	172.065376	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"212202"	229.084742666667	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"657228"	343.123476	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1168794"	115.046009333333	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"425506"	702.266223	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"789781"	1044.382423	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1686112"	360.150023	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"339855"	351.6367495	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"732275"	522.6948495	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1486096"	180.5786495	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"393721"	707.221618	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"765780"	1049.337818	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1617769"	365.105418	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"323919"	354.114447	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"717433"	525.172547	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1471253"	183.056347	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1067414"	122.373323333333	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1265083"	375.149686	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"380739"	723.195558	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"742472"	1065.311758	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1545617"	381.079358	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"306073"	362.101417	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"696308"	533.159517	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1452314"	191.043317	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"244200"	726.266226	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1216906"	384.150026	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1200792"	192.578651	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"194755"	729.20356	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"639785"	1071.31976	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1143657"	387.08736	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"184395"	365.105418	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"623958"	536.163518	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1129651"	194.047318	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1412080"	129.700637333333	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1439831"	389.128946	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"230617"	370.13844	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1518678"	403.18099	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"419458"	373.092388	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"781916"	544.150488	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1675694"	202.034288	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"256746"	748.248168	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1233828"	406.131968	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1718338"	406.155493	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1182599"	137.027951333333	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1650668"	411.110888	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"158986"	761.15144	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"598305"	1103.26764	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1085974"	419.03524	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"143882"	381.079358	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"585267"	552.137458	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1070509"	210.021258	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1102988"	421.049792	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1337913"	421.137407	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1008631"	425.176576	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1526027"	426.170208	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"992116"	213.091926	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1587953"	427.084828	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1417019"	457.116338	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1148522"	233.605201	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1698073"	474.142885	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1636887"	479.09828	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1584570"	495.07222	"C06421"	"alpha-Cellobiose;1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"805093"	342.1162	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M"	0
"981908"	323.09781	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"66868"	227.070190666667	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"505335"	341.108924	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"883137"	113.031457333333	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"9366"	341.108924	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"444552"	512.167024	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"818224"	170.050824	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"79793"	683.225124	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"525191"	1025.341324	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"902997"	341.108924	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"55183"	700.251671	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"493655"	1042.367871	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"869267"	358.135471	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"41546"	705.207066	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"478918"	1047.323266	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"856722"	363.090866	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1630629"	363.090866	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"106066"	359.097263	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"542349"	530.155363	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"934771"	188.039163	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"276608"	719.201802	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"670120"	1061.318002	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1279609"	377.085602	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"26175"	721.181006	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"467924"	1063.297206	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"843540"	379.064806	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1565934"	379.064806	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"950537"	387.114394	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"372033"	729.230601	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"357008"	743.246251	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1502563"	401.130051	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"970102"	409.096351	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"117550"	377.085602	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"560761"	548.143702	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1035027"	206.027502	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1251326"	421.035085	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1311590"	423.091072	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1325806"	445.073029	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"920145"	455.101786	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1291386"	491.078464	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1372828"	307.103524	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1391418"	325.1135	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"292200"	685.239676	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"687904"	1027.355876	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1357691"	343.123476	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"134954"	343.123476	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"578890"	514.181576	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1050607"	172.065376	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"216687"	229.084742666667	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"658069"	343.123476	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1168904"	115.046009333333	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"434364"	702.266223	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795359"	1044.382423	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1688411"	360.150023	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"342884"	351.6367495	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"732389"	522.6948495	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1486208"	180.5786495	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"397235"	707.221618	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"763703"	1049.337818	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1616906"	365.105418	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"328038"	354.114447	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"717543"	525.172547	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1469174"	183.056347	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1059140"	122.373323333333	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1264096"	375.149686	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"377931"	723.195558	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"744768"	1065.311758	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1546822"	381.079358	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"305089"	362.101417	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"696417"	533.159517	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1449143"	191.043317	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"238112"	726.266226	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1215922"	384.150026	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1200902"	192.578651	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"193772"	729.20356	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"637708"	1071.31976	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1141214"	387.08736	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"180132"	365.105418	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"621881"	536.163518	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1126481"	194.047318	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1411097"	129.700637333333	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1439939"	389.128946	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"230728"	370.13844	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1518788"	403.18099	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"419568"	373.092388	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"781661"	544.150488	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1673617"	202.034288	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"260136"	748.248168	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1235031"	406.131968	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1716262"	406.155493	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1182709"	137.027951333333	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1650169"	411.110888	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"158732"	761.15144	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"597930"	1103.26764	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1087907"	419.03524	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"143629"	381.079358	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"583191"	552.137458	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1069281"	210.021258	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1103098"	421.049792	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1337415"	421.137407	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1008739"	425.176576	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1526502"	426.170208	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"991251"	213.091926	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1587699"	427.084828	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1417128"	457.116338	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1152885"	233.605201	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1699155"	474.142885	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1635174"	479.09828	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1584680"	495.07222	"C06422"	"beta-Cellobiose;1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"805203"	144.115	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M"	0
"985298"	125.09661	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-H2O-H"	-19.01839
"68072"	95.0693906666667	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M-3H"	-3.021828
"506539"	143.107724	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M-3H"	-3.021828
"882154"	47.0310573333333	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-3H"	-3.021828
"7290"	143.107724	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M-2H"	-2.014552
"445757"	215.165224	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M-2H"	-2.014552
"821372"	71.050224	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-2H"	-2.014552
"80634"	287.222724	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M-H"	-1.007276
"520926"	431.337724	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M-H"	-1.007276
"895730"	143.107724	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-H"	-1.007276
"58573"	304.249271	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M-2H+NH4"	16.019271
"492671"	448.364271	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M-2H+NH4"	16.019271
"869377"	160.134271	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-2H+NH4"	16.019271
"42749"	309.204666	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M-2H+Na"	20.974666
"481215"	453.319666	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M-2H+Na"	20.974666
"857926"	165.089666	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-2H+Na"	20.974666
"1629649"	165.089666	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Na-2H"	20.974666
"105084"	161.096063	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M-H+Cl"	33.962126
"542460"	233.153563	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M-H+Cl"	33.962126
"934878"	89.038563	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-H+Cl"	33.962126
"275621"	323.199402	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+Cl"	34.969402
"666951"	467.314402	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+Cl"	34.969402
"1279719"	179.084402	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Cl"	34.969402
"25193"	325.178606	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M-2H+K"	36.948606
"466215"	469.293606	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M-2H+K"	36.948606
"843289"	181.063606	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-2H+K"	36.948606
"1565683"	181.063606	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+K-2H"	36.948606
"952471"	189.113194	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-H+HCOOH"	44.998194
"371048"	333.228201	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+HCOOH-H"	44.998201
"353842"	347.243851	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+Hac-H"	59.013851
"1502675"	203.128851	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Hac-H"	59.013851
"968024"	211.095151	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-H+NaCOOH"	66.980151
"118389"	179.084402	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+2Cl"	69.938804
"559777"	251.141902	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+2Cl"	69.938804
"1034044"	107.026902	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2Cl"	69.938804
"1250341"	223.033885	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Br"	78.918885
"1316076"	225.089872	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Cl+HCOOH"	80.974872
"1328103"	247.071829	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Cl+NaCOOH"	102.956829
"920255"	257.100586	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M-H+CF3COOH"	112.985586
"1295871"	293.077264	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Cl+CF3COOH"	148.962264
"1373302"	109.102324	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H-2H2O"	-35.012676
"1392623"	127.1123	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H-H2O"	-17.0027
"296684"	289.237276	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+H"	1.007276
"686920"	433.352276	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+H"	1.007276
"1358895"	145.122276	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H"	1.007276
"138345"	145.122276	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+2H"	2.014552
"578638"	217.179776	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+2H"	2.014552
"1050352"	73.064776	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2H"	2.014552
"215703"	97.0839426666667	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+3H"	3.021828
"656358"	145.122276	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+3H"	3.021828
"1171202"	49.0456093333333	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+3H"	3.021828
"433381"	306.263823	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+NH4"	18.033823
"795469"	450.378823	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+NH4"	18.033823
"1685240"	162.148823	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+NH4"	18.033823
"343358"	153.6355495	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+H+NH4"	19.041099
"732499"	225.6930495	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+H+NH4"	19.041099
"1486316"	81.5780495	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H+NH4"	19.041099
"397345"	311.219218	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+Na"	22.989218
"764906"	455.334218	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+Na"	22.989218
"1617017"	167.104218	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Na"	22.989218
"327055"	156.113247	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+H+Na"	23.996494
"717653"	228.170747	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+H+Na"	23.996494
"1467099"	84.055747	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H+Na"	23.996494
"1057064"	56.3729233333333	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2H+Na"	25.00377
"1264207"	177.148486	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+CH3OH+H"	33.033486
"378769"	327.193158	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+K"	38.963158
"744879"	471.308158	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+K"	38.963158
"1542558"	183.078158	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+K"	38.963158
"300828"	164.100217	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+H+K"	39.970434
"696530"	236.157717	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+H+K"	39.970434
"1445974"	92.042717	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H+K"	39.970434
"238953"	330.263826	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+ACN+H"	42.033826
"1214942"	186.148826	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+ACN+H"	42.033826
"1201012"	93.578051	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+ACN+2H"	43.041102
"194246"	333.20116	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+2Na-H"	44.97116
"637819"	477.31616	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+2Na-H"	44.97116
"1139137"	189.08616	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2Na-H"	44.97116
"176597"	167.104218	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+2Na"	45.978436
"623086"	239.161718	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+2Na"	45.978436
"1122218"	95.046718	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2Na"	45.978436
"1405741"	63.7002373333333	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H+2Na"	46.985712
"1441872"	191.127746	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H+HCOOH"	47.012746
"231568"	172.13724	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+3H2O+2H"	56.04448
"1517805"	205.17979	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+IsoProp+H"	61.06479
"419678"	175.091188	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+Na+K"	61.952376
"779585"	247.148688	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+Na+K"	61.952376
"1675913"	103.033688	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Na+K"	61.952376
"261340"	352.245768	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+ACN+Na"	64.015768
"1235141"	208.130768	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+ACN+Na"	64.015768
"1716373"	208.154293	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+NH4+HCOOH"	64.039293
"1183913"	71.0275513333333	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+3Na"	68.967654
"1650281"	213.109688	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Na+HCOOH"	68.994688
"159572"	365.14904	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+2K-H"	76.91904
"597431"	509.26404	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+2K-H"	76.91904
"1084859"	221.03404	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2K-H"	76.91904
"143012"	183.078158	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"2M+2K"	77.926316
"586582"	255.135658	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"3M+2K"	77.926316
"1070483"	111.020658	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2K"	77.926316
"1101992"	223.048592	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2K+H"	78.933592
"1337769"	223.136207	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+DMSO+H"	79.021207
"1008485"	227.175376	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2ACN+H"	83.060376
"1526612"	228.169008	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+IsoProp+Na+H"	84.054008
"990755"	114.091326	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+2ACN+2H"	84.067652
"1588662"	229.083628	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+K+HCOOH"	84.968628
"1420519"	259.115138	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+H+CF3COOH"	115.000138
"1154089"	134.604601	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+3ACN+2H"	125.094202
"1700358"	276.141685	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+NH4+CF3COOH"	132.026685
"1637106"	281.09708	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+Na+CF3COOH"	136.98208
"1584790"	297.07102	"C06423"	"Octanoic acid;Caprylic acid;Octylic acid"	"C8H16O2"	"144.115"	"M+K+CF3COOH"	152.95602
"811874"	228.2089	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M"	0
"985044"	209.19051	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-H2O-H"	-19.01839
"71464"	151.131990666667	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M-3H"	-3.021828
"512118"	227.201624	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M-3H"	-3.021828
"892471"	75.0623573333333	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-3H"	-3.021828
"12869"	227.201624	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M-2H"	-2.014552
"454981"	341.306074	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M-2H"	-2.014552
"823670"	113.097174	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-2H"	-2.014552
"83662"	455.410524	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M-H"	-1.007276
"524316"	683.619424	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M-H"	-1.007276
"909412"	227.201624	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-H"	-1.007276
"58683"	472.437071	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M-2H+NH4"	16.019271
"500070"	700.645971	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M-2H+NH4"	16.019271
"876049"	244.228171	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-2H+NH4"	16.019271
"40673"	477.392466	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M-2H+Na"	20.974666
"480235"	705.601366	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M-2H+Na"	20.974666
"860952"	249.183566	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-2H+Na"	20.974666
"1625387"	249.183566	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Na-2H"	20.974666
"101917"	245.189963	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M-H+Cl"	33.962126
"542569"	359.294413	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M-H+Cl"	33.962126
"933167"	131.085513	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-H+Cl"	33.962126
"273183"	491.387202	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+Cl"	34.969402
"666697"	719.596102	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+Cl"	34.969402
"1283841"	263.178302	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Cl"	34.969402
"28221"	493.366406	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M-2H+K"	36.948606
"467053"	721.575306	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M-2H+K"	36.948606
"844860"	265.157506	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-2H+K"	36.948606
"1568348"	265.157506	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+K-2H"	36.948606
"952949"	273.207094	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-H+HCOOH"	44.998194
"368979"	501.416001	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+HCOOH-H"	44.998201
"355776"	515.431651	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+Hac-H"	59.013851
"1503879"	287.222751	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Hac-H"	59.013851
"969231"	295.189051	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-H+NaCOOH"	66.980151
"119596"	263.178302	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+2Cl"	69.938804
"561710"	377.282752	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+2Cl"	69.938804
"1031967"	149.073852	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2Cl"	69.938804
"1250452"	307.127785	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Br"	78.918885
"1315090"	309.183772	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Cl+HCOOH"	80.974872
"1333318"	331.165729	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Cl+NaCOOH"	102.956829
"920366"	341.194486	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M-H+CF3COOH"	112.985586
"1301448"	377.171164	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Cl+CF3COOH"	148.962264
"1380703"	193.196224	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H-2H2O"	-35.012676
"1396013"	211.2062	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H-H2O"	-17.0027
"297162"	457.425076	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+H"	1.007276
"688853"	685.633976	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+H"	1.007276
"1366859"	229.216176	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H"	1.007276
"140279"	229.216176	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+2H"	2.014552
"581204"	343.320626	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+2H"	2.014552
"1052490"	115.111726	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2H"	2.014552
"219870"	153.146542666667	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+3H"	3.021828
"659712"	229.216176	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+3H"	3.021828
"1177508"	77.0769093333333	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+3H"	3.021828
"439887"	474.451623	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+NH4"	18.033823
"800682"	702.660523	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+NH4"	18.033823
"1693004"	246.242723	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+NH4"	18.033823
"345457"	237.7294495	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+H+NH4"	19.041099
"734434"	351.8338995	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+H+NH4"	19.041099
"1489709"	123.6249995	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H+NH4"	19.041099
"397456"	479.407018	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+Na"	22.989218
"769356"	707.615918	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+Na"	22.989218
"1617615"	251.198118	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Na"	22.989218
"327165"	240.207147	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+H+Na"	23.996494
"716669"	354.311597	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+H+Na"	23.996494
"1470490"	126.102697	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H+Na"	23.996494
"1055715"	84.4042233333333	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2H+Na"	25.00377
"1262130"	261.242386	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+CH3OH+H"	33.033486
"381796"	495.380958	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+K"	38.963158
"744990"	723.589858	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+K"	38.963158
"1548137"	267.172058	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+K"	38.963158
"306406"	248.194117	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+H+K"	39.970434
"704296"	362.298567	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+H+K"	39.970434
"1452648"	134.089667	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H+K"	39.970434
"248177"	498.451626	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+ACN+H"	42.033826
"1216145"	270.242726	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+ACN+H"	42.033826
"1199663"	135.625001	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+ACN+2H"	43.041102
"192169"	501.38896	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+2Na-H"	44.97116
"636837"	729.59786	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+2Na-H"	44.97116
"1141437"	273.18006	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2Na-H"	44.97116
"179260"	251.198118	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+2Na"	45.978436
"625384"	365.302568	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+2Na"	45.978436
"1124515"	137.093668	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2Na"	45.978436
"1408039"	91.7315373333333	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H+2Na"	46.985712
"1441254"	275.221646	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H+HCOOH"	47.012746
"231679"	256.23114	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+3H2O+2H"	56.04448
"1520835"	289.27369	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+IsoProp+H"	61.06479
"423069"	259.185088	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+Na+K"	61.952376
"780789"	373.289538	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+Na+K"	61.952376
"1676027"	145.080638	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Na+K"	61.952376
"263276"	520.433568	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+ACN+Na"	64.015768
"1238533"	292.224668	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+ACN+Na"	64.015768
"1721951"	292.248193	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+NH4+HCOOH"	64.039293
"1187303"	99.0588513333333	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+3Na"	68.967654
"1656104"	297.203588	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Na+HCOOH"	68.994688
"162964"	533.33684	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+2K-H"	76.91904
"601430"	761.54574	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+2K-H"	76.91904
"1087036"	305.12794	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2K-H"	76.91904
"147132"	267.172058	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"2M+2K"	77.926316
"586691"	381.276508	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"3M+2K"	77.926316
"1075580"	153.067608	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2K"	77.926316
"1104416"	307.142492	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2K+H"	78.933592
"1337519"	307.230107	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+DMSO+H"	79.021207
"1008236"	311.269276	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2ACN+H"	83.060376
"1526362"	312.262908	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+IsoProp+Na+H"	84.054008
"991716"	156.138276	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+2ACN+2H"	84.067652
"1591690"	313.177528	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+K+HCOOH"	84.968628
"1416256"	343.209038	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+H+CF3COOH"	115.000138
"1155293"	176.651551	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+3ACN+2H"	125.094202
"1698646"	360.235585	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+NH4+CF3COOH"	132.026685
"1637216"	365.19098	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+Na+CF3COOH"	136.98208
"1584900"	381.16492	"C06424"	"Tetradecanoic acid;Tetradecanoate;Myristic acid"	"C14H28O2"	"228.2089"	"M+K+CF3COOH"	152.95602
"805423"	312.3028	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M"	0
"978957"	293.28441	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-H2O-H"	-19.01839
"65012"	207.194590666667	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M-3H"	-3.021828
"508946"	311.295524	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M-3H"	-3.021828
"883467"	103.093657333333	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-3H"	-3.021828
"7510"	311.295524	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M-2H"	-2.014552
"447070"	467.446924	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M-2H"	-2.014552
"821592"	155.144124	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-2H"	-2.014552
"80852"	623.598324	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M-H"	-1.007276
"521508"	935.901124	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M-H"	-1.007276
"897130"	311.295524	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-H"	-1.007276
"50045"	640.624871	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M-2H+NH4"	16.019271
"496169"	952.927671	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M-2H+NH4"	16.019271
"876888"	328.322071	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-2H+NH4"	16.019271
"42970"	645.580266	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M-2H+Na"	20.974666
"483624"	957.883066	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M-2H+Na"	20.974666
"853771"	333.277466	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-2H+Na"	20.974666
"1633474"	333.277466	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Na-2H"	20.974666
"107490"	329.283863	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M-H+Cl"	33.962126
"544866"	485.435263	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M-H+Cl"	33.962126
"938380"	173.132463	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-H+Cl"	33.962126
"276934"	659.575002	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+Cl"	34.969402
"672274"	971.877802	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+Cl"	34.969402
"1287109"	347.272202	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Cl"	34.969402
"27602"	661.554206	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M-2H+K"	36.948606
"469349"	973.857006	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M-2H+K"	36.948606
"844969"	349.251406	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-2H+K"	36.948606
"1568456"	349.251406	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+K-2H"	36.948606
"956702"	357.300994	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-H+HCOOH"	44.998194
"370182"	669.603801	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+HCOOH-H"	44.998201
"356979"	683.619451	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+Hac-H"	59.013851
"1502532"	371.316651	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Hac-H"	59.013851
"970799"	379.282951	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-H+NaCOOH"	66.980151
"118976"	347.272202	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+2Cl"	69.938804
"561091"	503.423602	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+2Cl"	69.938804
"1034265"	191.120802	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2Cl"	69.938804
"1247281"	391.221685	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Br"	78.918885
"1310826"	393.277672	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Cl+HCOOH"	80.974872
"1332698"	415.259629	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Cl+NaCOOH"	102.956829
"920476"	425.288386	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M-H+CF3COOH"	112.985586
"1294997"	461.265064	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Cl+CF3COOH"	148.962264
"1370242"	277.290124	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H-2H2O"	-35.012676
"1389562"	295.3001	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H-H2O"	-17.0027
"297998"	625.612876	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+H"	1.007276
"690420"	937.915676	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+H"	1.007276
"1366284"	313.310076	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H"	1.007276
"141264"	313.310076	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+2H"	2.014552
"581349"	469.461476	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+2H"	2.014552
"1052721"	157.158676	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2H"	2.014552
"219854"	209.209142666667	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+3H"	3.021828
"658034"	313.310076	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+3H"	3.021828
"1177380"	105.108209333333	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+3H"	3.021828
"438340"	642.639423	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+NH4"	18.033823
"799701"	954.942223	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+NH4"	18.033823
"1692021"	330.336623	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+NH4"	18.033823
"344677"	321.8233495	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+H+NH4"	19.041099
"738071"	477.9747495	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+H+NH4"	19.041099
"1491642"	165.6719495	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H+NH4"	19.041099
"400845"	647.594818	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+Na"	22.989218
"766217"	959.897618	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+Na"	22.989218
"1618294"	335.292018	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Na"	22.989218
"327275"	324.301047	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+H+Na"	23.996494
"716779"	480.452447	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+H+Na"	23.996494
"1469505"	168.149647	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H+Na"	23.996494
"1055824"	112.435523333333	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2H+Na"	25.00377
"1262241"	345.336286	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+CH3OH+H"	33.033486
"381907"	663.568758	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+K"	38.963158
"744005"	975.871558	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+K"	38.963158
"1546057"	351.265958	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+K"	38.963158
"305421"	332.288017	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+H+K"	39.970434
"702216"	488.439417	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+H+K"	39.970434
"1452755"	176.136617	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H+K"	39.970434
"249380"	666.639426	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+ACN+H"	42.033826
"1215525"	354.336626	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+ACN+H"	42.033826
"1199773"	177.671951	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+ACN+2H"	43.041102
"192279"	669.57676	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+2Na-H"	44.97116
"636946"	981.87956	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+2Na-H"	44.97116
"1142640"	357.27396	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2Na-H"	44.97116
"182650"	335.292018	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+2Na"	45.978436
"625494"	491.443418	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+2Na"	45.978436
"1123531"	179.140618	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2Na"	45.978436
"1408147"	119.762837333333	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H+2Na"	46.985712
"1440267"	359.315546	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H+HCOOH"	47.012746
"231056"	340.32504	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+3H2O+2H"	56.04448
"1521309"	373.36759	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+IsoProp+H"	61.06479
"419899"	343.278988	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+Na+K"	61.952376
"781992"	499.430388	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+Na+K"	61.952376
"1675774"	187.127588	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Na+K"	61.952376
"262292"	688.621368	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+ACN+Na"	64.015768
"1239374"	376.318568	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+ACN+Na"	64.015768
"1722061"	376.342093	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+NH4+HCOOH"	64.039293
"1188506"	127.090151333333	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+3Na"	68.967654
"1656214"	381.297488	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Na+HCOOH"	68.994688
"164167"	701.52464	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+2K-H"	76.91904
"602633"	1013.82744	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+2K-H"	76.91904
"1092613"	389.22184	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2K-H"	76.91904
"145056"	351.265958	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"2M+2K"	77.926316
"585709"	507.417358	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"3M+2K"	77.926316
"1069491"	195.114558	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2K"	77.926316
"1104526"	391.236392	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2K+H"	78.933592
"1337264"	391.324007	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+DMSO+H"	79.021207
"1008343"	395.363176	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2ACN+H"	83.060376
"1527925"	396.356808	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+IsoProp+Na+H"	84.054008
"995103"	198.185226	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+2ACN+2H"	84.067652
"1591800"	397.271428	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+K+HCOOH"	84.968628
"1415273"	427.302938	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+H+CF3COOH"	115.000138
"1152123"	218.698501	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+3ACN+2H"	125.094202
"1698392"	444.329485	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+NH4+CF3COOH"	132.026685
"1637326"	449.28488	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+Na+CF3COOH"	136.98208
"1585010"	465.25882	"C06425"	"Icosanoic acid;Eicosanoic acid;Arachidic acid"	"C20H40O2"	"312.3028"	"M+K+CF3COOH"	152.95602
"808813"	278.2246	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M"	0
"979067"	259.20621	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-H2O-H"	-19.01839
"65122"	184.475790666667	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M-3H"	-3.021828
"507963"	277.217324	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M-3H"	-3.021828
"883577"	91.7342573333333	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-3H"	-3.021828
"6527"	277.217324	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M-2H"	-2.014552
"447180"	416.329624	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M-2H"	-2.014552
"820609"	138.105024	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-2H"	-2.014552
"79990"	555.441924	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M-H"	-1.007276
"520525"	833.666524	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M-H"	-1.007276
"895778"	277.217324	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-H"	-1.007276
"47279"	572.468471	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M-2H+NH4"	16.019271
"489718"	850.693071	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M-2H+NH4"	16.019271
"870801"	294.243871	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-2H+NH4"	16.019271
"38704"	577.423866	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M-2H+Na"	20.974666
"478265"	855.648466	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M-2H+Na"	20.974666
"854974"	299.199266	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-2H+Na"	20.974666
"1633831"	299.199266	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Na-2H"	20.974666
"109745"	295.205663	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M-H+Cl"	33.962126
"546066"	434.317963	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M-H+Cl"	33.962126
"939581"	156.093363	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-H+Cl"	33.962126
"277046"	591.418602	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+Cl"	34.969402
"672748"	869.643202	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+Cl"	34.969402
"1287098"	313.194002	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Cl"	34.969402
"30626"	593.397806	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M-2H+K"	36.948606
"470552"	871.622406	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M-2H+K"	36.948606
"844713"	315.173206	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-2H+K"	36.948606
"1568565"	315.173206	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+K-2H"	36.948606
"954259"	323.222794	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-H+HCOOH"	44.998194
"372475"	601.447401	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+HCOOH-H"	44.998201
"357817"	615.463051	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+Hac-H"	59.013851
"1503006"	337.238451	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Hac-H"	59.013851
"969815"	345.204751	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-H+NaCOOH"	66.980151
"120545"	313.194002	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+2Cl"	69.938804
"560473"	452.306302	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+2Cl"	69.938804
"1030001"	174.081702	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2Cl"	69.938804
"1251766"	357.143485	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Br"	78.918885
"1313122"	359.199472	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Cl+HCOOH"	80.974872
"1326248"	381.181429	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Cl+NaCOOH"	102.956829
"920586"	391.210186	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M-H+CF3COOH"	112.985586
"1292920"	427.186864	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Cl+CF3COOH"	148.962264
"1368895"	243.211924	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H-2H2O"	-35.012676
"1388578"	261.2219	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H-H2O"	-17.0027
"295921"	557.456476	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+H"	1.007276
"687250"	835.681076	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+H"	1.007276
"1360318"	279.231876	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H"	1.007276
"140992"	279.231876	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+2H"	2.014552
"581160"	418.344176	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+2H"	2.014552
"1052650"	140.119576	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2H"	2.014552
"219845"	186.490342666667	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+3H"	3.021828
"659447"	279.231876	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+3H"	3.021828
"1178219"	93.7488093333333	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+3H"	3.021828
"438818"	574.483023	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+NH4"	18.033823
"800788"	852.707623	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+NH4"	18.033823
"1695049"	296.258423	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+NH4"	18.033823
"345029"	287.7451495	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+H+NH4"	19.041099
"738267"	426.8574495	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+H+NH4"	19.041099
"1489567"	148.6328495	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H+NH4"	19.041099
"399861"	579.438418	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+Na"	22.989218
"766327"	857.663018	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+Na"	22.989218
"1615522"	301.213818	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Na"	22.989218
"329959"	290.222847	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+H+Na"	23.996494
"716889"	429.335147	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+H+Na"	23.996494
"1469615"	151.110547	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H+Na"	23.996494
"1055935"	101.076123333333	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2H+Na"	25.00377
"1261258"	311.258086	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+CH3OH+H"	33.033486
"379831"	595.412358	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+K"	38.963158
"743020"	873.636958	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+K"	38.963158
"1542887"	317.187758	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+K"	38.963158
"300061"	298.209817	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+H+K"	39.970434
"693212"	437.322117	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+H+K"	39.970434
"1447397"	159.097517	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H+K"	39.970434
"240375"	598.483026	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+ACN+H"	42.033826
"1214542"	320.258426	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+ACN+H"	42.033826
"1197696"	160.632851	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+ACN+2H"	43.041102
"192389"	601.42036	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+2Na-H"	44.97116
"636691"	879.64496	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+2Na-H"	44.97116
"1138373"	323.19576	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2Na-H"	44.97116
"181299"	301.213818	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+2Na"	45.978436
"624511"	440.326118	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+2Na"	45.978436
"1125828"	162.101518	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2Na"	45.978436
"1408257"	108.403437333333	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H+2Na"	46.985712
"1440377"	325.237346	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H+HCOOH"	47.012746
"227885"	306.24684	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+3H2O+2H"	56.04448
"1523364"	339.28939	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+H"	61.06479
"418916"	309.200788	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+Na+K"	61.952376
"782831"	448.313088	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+Na+K"	61.952376
"1677340"	170.088488	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Na+K"	61.952376
"258392"	620.464968	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+ACN+Na"	64.015768
"1235473"	342.240368	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+ACN+Na"	64.015768
"1720348"	342.263893	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+NH4+HCOOH"	64.039293
"1183148"	115.730751333333	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+3Na"	68.967654
"1655231"	347.219288	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Na+HCOOH"	68.994688
"160997"	633.36824	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+2K-H"	76.91904
"599464"	911.59284	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+2K-H"	76.91904
"1089443"	355.14364	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2K-H"	76.91904
"145166"	317.187758	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"2M+2K"	77.926316
"584725"	456.300058	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"3M+2K"	77.926316
"1070695"	178.075458	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2K"	77.926316
"1102449"	357.158192	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2K+H"	78.933592
"1337010"	357.245807	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+DMSO+H"	79.021207
"1007360"	361.284976	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2ACN+H"	83.060376
"1525487"	362.278608	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+Na+H"	84.054008
"991207"	181.146126	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+2ACN+2H"	84.067652
"1591910"	363.193228	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+K+HCOOH"	84.968628
"1414654"	393.224738	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+H+CF3COOH"	115.000138
"1152233"	201.659401	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+3ACN+2H"	125.094202
"1698502"	410.251285	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+NH4+CF3COOH"	132.026685
"1637436"	415.20668	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+Na+CF3COOH"	136.98208
"1585120"	431.18062	"C06426"	"(6Z9Z12Z)-Octadecatrienoic acid;6912-Octadecatrienoic acid;gamma-Linolenic acid;Gamolenic acid"	"C18H30O2"	"278.2246"	"M+K+CF3COOH"	152.95602
"805643"	278.2246	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M"	0
"979177"	259.20621	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-H2O-H"	-19.01839
"65232"	184.475790666667	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M-3H"	-3.021828
"511353"	277.217324	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M-3H"	-3.021828
"882594"	91.7342573333333	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-3H"	-3.021828
"6637"	277.217324	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M-2H"	-2.014552
"449477"	416.329624	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M-2H"	-2.014552
"823999"	138.105024	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-2H"	-2.014552
"80711"	555.441924	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M-H"	-1.007276
"521365"	833.666524	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M-H"	-1.007276
"895757"	277.217324	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-H"	-1.007276
"47218"	572.468471	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M-2H+NH4"	16.019271
"487264"	850.693071	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M-2H+NH4"	16.019271
"864507"	294.243871	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-2H+NH4"	16.019271
"35533"	577.423866	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M-2H+Na"	20.974666
"471565"	855.648466	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M-2H+Na"	20.974666
"848567"	299.199266	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-2H+Na"	20.974666
"1626805"	299.199266	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Na-2H"	20.974666
"105156"	295.205663	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M-H+Cl"	33.962126
"547270"	434.317963	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M-H+Cl"	33.962126
"934222"	156.093363	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-H+Cl"	33.962126
"275331"	591.418602	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+Cl"	34.969402
"665202"	869.643202	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+Cl"	34.969402
"1283075"	313.194002	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Cl"	34.969402
"26360"	593.397806	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M-2H+K"	36.948606
"470945"	871.622406	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M-2H+K"	36.948606
"847573"	315.173206	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-2H+K"	36.948606
"1568668"	315.173206	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+K-2H"	36.948606
"956191"	323.222794	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-H+HCOOH"	44.998194
"374045"	601.447401	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+HCOOH-H"	44.998201
"359022"	615.463051	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+Hac-H"	59.013851
"1500931"	337.238451	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Hac-H"	59.013851
"970289"	345.204751	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-H+NaCOOH"	66.980151
"119560"	313.194002	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+2Cl"	69.938804
"562404"	452.306302	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+2Cl"	69.938804
"1032297"	174.081702	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2Cl"	69.938804
"1252607"	357.143485	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Br"	78.918885
"1317606"	359.199472	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Cl+HCOOH"	80.974872
"1326358"	381.181429	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Cl+NaCOOH"	102.956829
"914134"	391.210186	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M-H+CF3COOH"	112.985586
"1294122"	427.186864	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Cl+CF3COOH"	148.962264
"1373378"	243.211924	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H-2H2O"	-35.012676
"1389782"	261.2219	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H-H2O"	-17.0027
"296031"	557.456476	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+H"	1.007276
"690399"	835.681076	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+H"	1.007276
"1363708"	279.231876	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H"	1.007276
"140613"	279.231876	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+2H"	2.014552
"581029"	418.344176	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+2H"	2.014552
"1052138"	140.119576	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2H"	2.014552
"219717"	186.490342666667	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+3H"	3.021828
"659521"	279.231876	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+3H"	3.021828
"1178206"	93.7488093333333	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+3H"	3.021828
"439700"	574.483023	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+NH4"	18.033823
"800778"	852.707623	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+NH4"	18.033823
"1695523"	296.258423	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+NH4"	18.033823
"345025"	287.7451495	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+H+NH4"	19.041099
"738175"	426.8574495	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+H+NH4"	19.041099
"1491500"	148.6328495	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H+NH4"	19.041099
"401066"	579.438418	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+Na"	22.989218
"764250"	857.663018	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+Na"	22.989218
"1616358"	301.213818	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Na"	22.989218
"327492"	290.222847	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+H+Na"	23.996494
"720158"	429.335147	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+H+Na"	23.996494
"1470820"	151.110547	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H+Na"	23.996494
"1056410"	101.076123333333	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2H+Na"	25.00377
"1266836"	311.258086	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+CH3OH+H"	33.033486
"387597"	595.412358	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+K"	38.963158
"744214"	873.636958	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+K"	38.963158
"1541904"	317.187758	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+K"	38.963158
"301264"	298.209817	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+H+K"	39.970434
"692594"	437.322117	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+H+K"	39.970434
"1446413"	159.097517	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H+K"	39.970434
"239392"	598.483026	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+ACN+H"	42.033826
"1214652"	320.258426	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+ACN+H"	42.033826
"1194889"	160.632851	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+ACN+2H"	43.041102
"195415"	601.42036	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+2Na-H"	44.97116
"638259"	879.64496	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+2Na-H"	44.97116
"1138119"	323.19576	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2Na-H"	44.97116
"182868"	301.213818	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+2Na"	45.978436
"622434"	440.326118	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+2Na"	45.978436
"1127031"	162.101518	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2Na"	45.978436
"1409461"	108.403437333333	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H+2Na"	46.985712
"1440487"	325.237346	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H+HCOOH"	47.012746
"231275"	306.24684	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+3H2O+2H"	56.04448
"1519340"	339.28939	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+IsoProp+H"	61.06479
"417933"	309.200788	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+Na+K"	61.952376
"783306"	448.313088	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+Na+K"	61.952376
"1680976"	170.088488	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Na+K"	61.952376
"262876"	620.464968	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+ACN+Na"	64.015768
"1237770"	342.240368	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+ACN+Na"	64.015768
"1720094"	342.263893	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+NH4+HCOOH"	64.039293
"1185446"	115.730751333333	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+3Na"	68.967654
"1655341"	347.219288	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Na+HCOOH"	68.994688
"160014"	633.36824	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+2K-H"	76.91904
"600668"	911.59284	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+2K-H"	76.91904
"1087366"	355.14364	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2K-H"	76.91904
"143453"	317.187758	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"2M+2K"	77.926316
"583377"	456.300058	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"3M+2K"	77.926316
"1070075"	178.075458	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2K"	77.926316
"1102560"	357.158192	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2K+H"	78.933592
"1336757"	357.245807	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+DMSO+H"	79.021207
"1008199"	361.284976	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2ACN+H"	83.060376
"1525596"	362.278608	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+IsoProp+Na+H"	84.054008
"990465"	181.146126	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+2ACN+2H"	84.067652
"1589833"	363.193228	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+K+HCOOH"	84.968628
"1416587"	393.224738	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+H+CF3COOH"	115.000138
"1150154"	201.659401	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+3ACN+2H"	125.094202
"1699706"	410.251285	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+NH4+CF3COOH"	132.026685
"1635723"	415.20668	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+Na+CF3COOH"	136.98208
"1585230"	431.18062	"C06427"	"(9Z12Z15Z)-Octadecatrienoic acid;alpha-Linolenic acid;91215-Octadecatrienoic acid;Linolenate;alpha-Linolenate"	"C18H30O2"	"278.2246"	"M+K+CF3COOH"	152.95602
"805755"	302.2246	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M"	0
"979287"	283.20621	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"65342"	200.475790666667	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"511463"	301.217324	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"885984"	99.7342573333333	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"5651"	301.217324	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"443026"	452.329624	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"821923"	150.105024	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"80821"	603.441924	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"520384"	905.666524	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"896597"	301.217324	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"47579"	620.468471	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"487501"	922.693071	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"871023"	318.243871	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"33820"	625.423866	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"476298"	927.648466	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"848705"	323.199266	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1619622"	323.199266	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"97973"	319.205663	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"535467"	470.317963	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"927888"	168.093363	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"276167"	639.418602	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"663486"	941.643202	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1278809"	337.194002	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"21365"	641.397806	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"468582"	943.622406	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"844197"	339.173206	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1570239"	339.173206	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"957028"	347.222794	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"371596"	649.447401	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"355481"	663.463051	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1504319"	361.238451	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"968575"	369.204751	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"118576"	337.194002	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"562516"	488.306302	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1031316"	186.081702	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1254174"	381.143485	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1308968"	383.199472	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1322090"	405.181429	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"912420"	415.210186	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1292045"	451.186864	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1370207"	267.211924	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1392079"	285.2219	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"287390"	605.456476	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"684187"	907.681076	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1363819"	303.231876	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"140962"	303.231876	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"581221"	454.344176	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1052009"	152.119576	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"219623"	202.490342666667	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"659387"	303.231876	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1178239"	101.748809333333	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"439408"	622.483023	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"800640"	924.707623	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1696577"	320.258423	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"344886"	311.7451495	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"737427"	462.8574495	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1490515"	160.6328495	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"403364"	627.438418	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"768132"	929.663018	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1616233"	325.213818	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"327363"	314.222847	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"712738"	465.335147	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1465463"	163.110547	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1057976"	109.076123333333	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1268039"	335.258086	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"381143"	643.412358	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"742146"	945.636958	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1544201"	341.187758	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"300282"	322.209817	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"694889"	473.322117	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1446526"	171.097517	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"238774"	646.483026	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1215857"	344.258426	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1194430"	172.632851	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"199539"	649.42036	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"638369"	951.64496	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1137135"	347.19576	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"182981"	325.213818	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"622545"	476.326118	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1126049"	174.101518	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1407386"	116.403437333333	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1440597"	349.237346	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"231386"	330.24684	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1520545"	363.28939	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"422056"	333.200788	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"779041"	484.313088	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1669904"	182.088488	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"253871"	668.464968	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1233871"	366.240368	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1720204"	366.263893	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1185556"	123.730751333333	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1655815"	371.219288	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"163405"	681.36824	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"598956"	983.59284	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1086384"	379.14364	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"149760"	341.187758	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"589321"	492.300058	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1071643"	190.075458	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1102669"	381.158192	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1337227"	381.245807	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1006972"	385.284976	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1527898"	386.278608	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"993255"	193.146126	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1587757"	387.193228	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1414994"	417.224738	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1149170"	213.659401	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1698723"	434.251285	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1636565"	439.20668	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1585340"	455.18062	"C06428"	"(5Z8Z11Z14Z17Z)-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid;Eicosapentaenoic acid;58111417-Icosapentaenoic acid;(5Z8Z11Z14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"802585"	328.2402	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M"	0
"979397"	309.22181	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-H2O-H"	-19.01839
"66545"	217.819524	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M-3H"	-3.021828
"509386"	327.232924	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M-3H"	-3.021828
"881720"	108.406124	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-3H"	-3.021828
"1022"	327.232924	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M-2H"	-2.014552
"443137"	491.353024	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M-2H"	-2.014552
"818874"	163.112824	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-2H"	-2.014552
"82025"	655.473124	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M-H"	-1.007276
"519276"	983.713324	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M-H"	-1.007276
"896228"	327.232924	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-H"	-1.007276
"50480"	672.499671	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M-2H+NH4"	16.019271
"491134"	1000.739871	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M-2H+NH4"	16.019271
"866026"	344.259471	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-2H+NH4"	16.019271
"33565"	677.455066	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M-2H+Na"	20.974666
"473128"	1005.695266	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M-2H+Na"	20.974666
"850195"	349.214866	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-2H+Na"	20.974666
"1623739"	349.214866	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Na-2H"	20.974666
"96990"	345.221263	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M-H+Cl"	33.962126
"536912"	509.341363	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M-H+Cl"	33.962126
"931155"	181.101163	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-H+Cl"	33.962126
"268010"	691.449802	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+Cl"	34.969402
"661529"	1019.690002	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+Cl"	34.969402
"1276003"	363.209602	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Cl"	34.969402
"20380"	693.429006	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M-2H+K"	36.948606
"464316"	1021.669206	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M-2H+K"	36.948606
"843942"	365.188806	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-2H+K"	36.948606
"1569623"	365.188806	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+K-2H"	36.948606
"957386"	373.238394	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-H+HCOOH"	44.998194
"375354"	701.478601	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+HCOOH-H"	44.998201
"357779"	715.494251	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+Hac-H"	59.013851
"1505885"	387.254051	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Hac-H"	59.013851
"970143"	395.220351	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-H+NaCOOH"	66.980151
"118686"	363.209602	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+2Cl"	69.938804
"559346"	527.329702	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+2Cl"	69.938804
"1032517"	199.089502	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2Cl"	69.938804
"1255011"	407.159085	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Br"	78.918885
"1306526"	409.215072	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Cl+HCOOH"	80.974872
"1324022"	431.197029	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Cl+NaCOOH"	102.956829
"916540"	441.225786	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M-H+CF3COOH"	112.985586
"1294342"	477.202464	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Cl+CF3COOH"	148.962264
"1370317"	293.227524	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H-2H2O"	-35.012676
"1390001"	311.2375	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H-H2O"	-17.0027
"285677"	657.487676	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+H"	1.007276
"686483"	985.727876	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+H"	1.007276
"1362835"	329.247476	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H"	1.007276
"141265"	329.247476	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+2H"	2.014552
"580633"	493.367576	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+2H"	2.014552
"1052661"	165.127376	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2H"	2.014552
"219864"	219.834076	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+3H"	3.021828
"659694"	329.247476	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+3H"	3.021828
"1178364"	110.420676	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+3H"	3.021828
"439600"	674.514223	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+NH4"	18.033823
"800749"	1002.754423	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+NH4"	18.033823
"1696887"	346.274023	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+NH4"	18.033823
"344020"	337.7607495	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+H+NH4"	19.041099
"738393"	501.8808495	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+H+NH4"	19.041099
"1492082"	173.6406495	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H+NH4"	19.041099
"403475"	679.469618	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+Na"	22.989218
"768844"	1007.709818	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+Na"	22.989218
"1616579"	351.229418	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Na"	22.989218
"320423"	340.238447	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+H+Na"	23.996494
"710658"	504.358547	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+H+Na"	23.996494
"1463017"	176.118347	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H+Na"	23.996494
"1054440"	117.74799	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2H+Na"	25.00377
"1262680"	361.273686	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+CH3OH+H"	33.033486
"378089"	695.443558	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+K"	38.963158
"745535"	1023.683758	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+K"	38.963158
"1545404"	367.203358	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+K"	38.963158
"300756"	348.225417	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+H+K"	39.970434
"696090"	512.345517	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+H+K"	39.970434
"1447729"	184.105317	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H+K"	39.970434
"240706"	698.514226	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+ACN+H"	42.033826
"1217789"	370.274026	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+ACN+H"	42.033826
"1197662"	185.640651	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+ACN+2H"	43.041102
"198921"	701.45156	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+2Na-H"	44.97116
"634469"	1029.69176	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+2Na-H"	44.97116
"1136151"	373.21136	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2Na-H"	44.97116
"181998"	351.229418	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+2Na"	45.978436
"624840"	515.349518	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+2Na"	45.978436
"1125066"	187.109318	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2Na"	45.978436
"1407496"	125.075304	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H+2Na"	46.985712
"1437427"	375.252946	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H+HCOOH"	47.012746
"227122"	356.26244	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+3H2O+2H"	56.04448
"1518468"	389.30499	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+IsoProp+H"	61.06479
"419251"	359.216388	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+Na+K"	61.952376
"779152"	523.336488	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+Na+K"	61.952376
"1673295"	195.096288	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Na+K"	61.952376
"257627"	720.496168	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+ACN+Na"	64.015768
"1234712"	392.255968	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+ACN+Na"	64.015768
"1720314"	392.279493	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+NH4+HCOOH"	64.039293
"1183479"	132.402618	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+3Na"	68.967654
"1651185"	397.234888	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Na+HCOOH"	68.994688
"161327"	733.39944	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+2K-H"	76.91904
"597730"	1061.63964	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+2K-H"	76.91904
"1086494"	405.15924	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2K-H"	76.91904
"148777"	367.203358	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"2M+2K"	77.926316
"586150"	531.323458	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"3M+2K"	77.926316
"1070295"	203.083258	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2K"	77.926316
"1101076"	407.173792	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2K+H"	78.933592
"1336971"	407.261407	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+DMSO+H"	79.021207
"1006108"	411.300576	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2ACN+H"	83.060376
"1524521"	412.294208	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+IsoProp+Na+H"	84.054008
"991178"	206.153926	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+2ACN+2H"	84.067652
"1587041"	413.208828	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+K+HCOOH"	84.968628
"1414243"	443.240338	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+H+CF3COOH"	115.000138
"1147255"	226.667201	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+3ACN+2H"	125.094202
"1697075"	460.266885	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+NH4+CF3COOH"	132.026685
"1635946"	465.22228	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+Na+CF3COOH"	136.98208
"1585450"	481.19622	"C06429"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid;4710131619-Docosahexaenoic acid;Docosahexaenoic acid;Docosahexaenoate"	"C22H32O2"	"328.2402"	"M+K+CF3COOH"	152.95602
"812536"	176.0321	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M"	0
"979509"	157.01371	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"64470"	116.347457333333	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"506216"	175.024824	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"881464"	57.6700906666667	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"5875"	175.024824	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"445435"	263.040874	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"819591"	87.008774	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"82135"	351.056924	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"519750"	527.089024	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"896338"	175.024824	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"49251"	368.083471	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"488690"	544.115571	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"866136"	192.051371	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"31645"	373.038866	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"473359"	549.070966	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"848887"	197.006766	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1619232"	197.006766	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"96371"	193.013163	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"535440"	281.029213	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"927983"	104.997113	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"268239"	387.033602	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"661029"	563.065702	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1274653"	211.001502	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"16596"	389.012806	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"464426"	565.044906	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"843322"	212.980706	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1570946"	212.980706	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"957496"	221.030294	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"374005"	397.062401	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"358984"	411.078051	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1505264"	235.045951	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"971713"	243.012251	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"119897"	211.001502	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"558362"	299.017552	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1032629"	122.985452	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1253299"	254.950985	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1304249"	257.006972	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1322313"	278.988929	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"922120"	289.017686	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1295547"	324.994364	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1380270"	141.019424	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1393393"	159.0294	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"290892"	353.071476	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"689880"	529.103576	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1366226"	177.039376	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"140982"	177.039376	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"581236"	265.055426	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1052463"	89.023326	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"219272"	118.362009333333	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"659724"	177.039376	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1175253"	59.6846426666667	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"439826"	370.098023	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"800862"	546.130123	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1696903"	194.065923	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"343763"	185.5526495	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"737645"	273.5686995	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1492591"	97.5365995	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"401398"	375.053418	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"765674"	551.085518	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1611589"	199.021318	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"321625"	188.030347	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"711133"	276.046397	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1464950"	100.014297	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1054915"	67.0119566666667	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1260967"	209.065586	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"377592"	391.027358	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"742364"	567.059458	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1544783"	214.995258	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"302686"	196.017317	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"694014"	284.033367	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1451117"	108.001267	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"240816"	394.098026	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1215712"	218.065926	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1197772"	109.536601	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"194654"	397.03536	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"636405"	573.06746	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1141004"	221.00326	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"178459"	199.021318	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"620573"	287.037368	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1124081"	111.005268	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1407606"	74.3392706666667	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1443005"	223.044846	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"227235"	204.05434	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1518578"	237.09689	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"417175"	207.008288	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"778169"	295.024338	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1673406"	118.992238	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"263206"	416.079968	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1234818"	240.047868	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1718236"	240.071393	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1182134"	81.6665846666667	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1656035"	245.026788	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"163626"	428.98324	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"600998"	605.01534	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1085510"	252.95114	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"147793"	214.995258	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"583100"	303.011308	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1069677"	126.979208	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1101796"	254.965692	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1336717"	255.053307	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1007189"	259.092476	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1526291"	260.086108	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"990316"	130.049876	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1587323"	261.000728	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1414483"	291.032238	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1147326"	150.563151	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1697357"	308.058785	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1636785"	313.01418	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1585560"	328.98812	"C06430"	"D-Galacturonolactone;D-gamma-Galacturonolactone"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"806083"	1078.3145	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M"	0
"979619"	1059.29611	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-H2O-H"	-19.01839
"66766"	717.869057333333	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M-3H"	-3.021828
"508512"	1077.307224	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M-3H"	-3.021828
"883032"	358.430890666667	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-3H"	-3.021828
"9265"	1077.307224	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M-2H"	-2.014552
"445545"	1616.464474	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M-2H"	-2.014552
"820066"	538.149974	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-2H"	-2.014552
"82247"	2155.621724	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M-H"	-1.007276
"520836"	3233.936224	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M-H"	-1.007276
"896815"	1077.307224	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-H"	-1.007276
"47906"	2172.648271	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M-2H+NH4"	16.019271
"487708"	3250.962771	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M-2H+NH4"	16.019271
"865274"	1094.333771	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-2H+NH4"	16.019271
"32446"	2177.603666	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M-2H+Na"	20.974666
"472129"	3255.918166	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M-2H+Na"	20.974666
"849686"	1099.289166	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-2H+Na"	20.974666
"1619095"	1099.289166	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Na-2H"	20.974666
"95509"	1095.295563	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M-H+Cl"	33.962126
"534943"	1634.452813	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M-H+Cl"	33.962126
"928824"	556.138313	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-H+Cl"	33.962126
"267867"	2191.598402	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+Cl"	34.969402
"662721"	3269.912902	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+Cl"	34.969402
"1273661"	1113.283902	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Cl"	34.969402
"16222"	2193.577606	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M-2H+K"	36.948606
"464536"	3271.892106	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M-2H+K"	36.948606
"845619"	1115.263106	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-2H+K"	36.948606
"1569838"	1115.263106	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+K-2H"	36.948606
"957888"	1123.312694	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-H+HCOOH"	44.998194
"372292"	2201.627201	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+HCOOH-H"	44.998201
"359823"	2215.642851	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+Hac-H"	59.013851
"1504280"	1137.328351	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Hac-H"	59.013851
"971459"	1145.294651	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-H+NaCOOH"	66.980151
"120737"	1113.283902	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+2Cl"	69.938804
"561752"	1652.441152	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+2Cl"	69.938804
"1033106"	574.126652	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2Cl"	69.938804
"1255595"	1157.233385	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Br"	78.918885
"1307114"	1159.289372	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Cl+HCOOH"	80.974872
"1324610"	1181.271329	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Cl+NaCOOH"	102.956829
"922230"	1191.300086	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M-H+CF3COOH"	112.985586
"1297844"	1227.276764	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Cl+CF3COOH"	148.962264
"1377100"	1043.301824	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H-2H2O"	-35.012676
"1393503"	1061.3118	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H-H2O"	-17.0027
"291002"	2157.636276	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+H"	1.007276
"690477"	3235.950776	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+H"	1.007276
"1366988"	1079.321776	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H"	1.007276
"141177"	1079.321776	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+2H"	2.014552
"581106"	1618.479026	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+2H"	2.014552
"1052608"	540.164526	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2H"	2.014552
"219423"	719.883609333333	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+3H"	3.021828
"658700"	1079.321776	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+3H"	3.021828
"1177799"	360.445442666667	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+3H"	3.021828
"439575"	2174.662823	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+NH4"	18.033823
"800976"	3252.977323	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+NH4"	18.033823
"1696458"	1096.348323	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+NH4"	18.033823
"343144"	1087.8350495	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+H+NH4"	19.041099
"737713"	1626.9922995	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+H+NH4"	19.041099
"1492501"	548.6777995	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H+NH4"	19.041099
"407706"	2179.618218	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+Na"	22.989218
"769431"	3257.932718	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+Na"	22.989218
"1614979"	1101.303718	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Na"	22.989218
"325018"	1090.312747	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+H+Na"	23.996494
"709787"	1629.469997	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+H+Na"	23.996494
"1465789"	551.155497	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H+Na"	23.996494
"1056118"	367.772756666667	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2H+Na"	25.00377
"1263994"	1111.347986	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+CH3OH+H"	33.033486
"379287"	2195.592158	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+K"	38.963158
"740404"	3273.906658	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+K"	38.963158
"1543436"	1117.277658	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+K"	38.963158
"301703"	1098.299717	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+H+K"	39.970434
"695217"	1637.456967	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+H+K"	39.970434
"1449042"	559.142467	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H+K"	39.970434
"238737"	2198.662826	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+ACN+H"	42.033826
"1218009"	1120.348326	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+ACN+H"	42.033826
"1195569"	560.677801	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+ACN+2H"	43.041102
"191479"	2201.60016	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+2Na-H"	44.97116
"638698"	3279.91466	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+2Na-H"	44.97116
"1137831"	1123.28566	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2Na-H"	44.97116
"176380"	1101.303718	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+2Na"	45.978436
"618494"	1640.460968	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+2Na"	45.978436
"1122001"	562.146468	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2Na"	45.978436
"1406620"	375.100070666667	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H+2Na"	46.985712
"1437647"	1125.327246	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H+HCOOH"	47.012746
"231718"	1106.33674	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+3H2O+2H"	56.04448
"1523913"	1139.37929	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+IsoProp+H"	61.06479
"422752"	1109.290688	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+Na+K"	61.952376
"782651"	1648.447938	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+Na+K"	61.952376
"1675703"	570.133438	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Na+K"	61.952376
"261128"	2220.644768	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+ACN+Na"	64.015768
"1236022"	1142.330268	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+ACN+Na"	64.015768
"1720533"	1142.353793	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+NH4+HCOOH"	64.039293
"1184067"	382.427384666667	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+3Na"	68.967654
"1651771"	1147.309188	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Na+HCOOH"	68.994688
"160820"	2233.54804	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+2K-H"	76.91904
"599406"	3311.86254	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+2K-H"	76.91904
"1085620"	1155.23354	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2K-H"	76.91904
"146810"	1117.277658	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"2M+2K"	77.926316
"584184"	1656.434908	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"3M+2K"	77.926316
"1070149"	578.120408	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2K"	77.926316
"1101175"	1157.248092	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2K+H"	78.933592
"1337557"	1157.335707	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+DMSO+H"	79.021207
"1007909"	1161.374876	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2ACN+H"	83.060376
"1526399"	1162.368508	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+IsoProp+Na+H"	84.054008
"992492"	581.191076	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+2ACN+2H"	84.067652
"1587472"	1163.283128	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+K+HCOOH"	84.968628
"1414961"	1193.314638	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+H+CF3COOH"	115.000138
"1148408"	601.704351	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+3ACN+2H"	125.094202
"1697960"	1210.341185	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+NH4+CF3COOH"	132.026685
"1636895"	1215.29658	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+Na+CF3COOH"	136.98208
"1585670"	1231.27052	"C06432"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine"	"C37H60N8O25P2"	"1078.3145"	"M+K+CF3COOH"	152.95602
"812754"	451.0893	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M"	0
"979729"	432.07091	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-H2O-H"	-19.01839
"70158"	299.718924	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M-3H"	-3.021828
"510811"	450.082024	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M-3H"	-3.021828
"885332"	149.355824	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-3H"	-3.021828
"9375"	450.082024	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M-2H"	-2.014552
"448937"	675.626674	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M-2H"	-2.014552
"822364"	224.537374	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-2H"	-2.014552
"82359"	901.171324	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M-H"	-1.007276
"518837"	1352.260624	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M-H"	-1.007276
"895745"	450.082024	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-H"	-1.007276
"47609"	918.197871	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M-2H+NH4"	16.019271
"487699"	1369.287171	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M-2H+NH4"	16.019271
"864305"	467.108571	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-2H+NH4"	16.019271
"31600"	923.153266	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M-2H+Na"	20.974666
"472485"	1374.242566	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M-2H+Na"	20.974666
"851259"	472.063966	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-2H+Na"	20.974666
"1619212"	472.063966	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Na-2H"	20.974666
"95132"	468.070363	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M-H+Cl"	33.962126
"534486"	693.615013	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M-H+Cl"	33.962126
"927394"	242.525713	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-H+Cl"	33.962126
"267284"	937.148002	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+Cl"	34.969402
"660273"	1388.237302	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+Cl"	34.969402
"1272882"	486.058702	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Cl"	34.969402
"16009"	939.127206	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M-2H+K"	36.948606
"461728"	1390.216506	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M-2H+K"	36.948606
"837710"	488.037906	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-2H+K"	36.948606
"1569948"	488.037906	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+K-2H"	36.948606
"954916"	496.087494	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-H+HCOOH"	44.998194
"366569"	947.176801	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+HCOOH-H"	44.998201
"354829"	961.192451	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+Hac-H"	59.013851
"1504754"	510.103151	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Hac-H"	59.013851
"969016"	518.069451	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-H+NaCOOH"	66.980151
"120117"	486.058702	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+2Cl"	69.938804
"558581"	711.603352	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+2Cl"	69.938804
"1031755"	260.514052	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2Cl"	69.938804
"1255341"	530.008185	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Br"	78.918885
"1305158"	532.064172	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Cl+HCOOH"	80.974872
"1328000"	554.046129	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Cl+NaCOOH"	102.956829
"923433"	564.074886	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M-H+CF3COOH"	112.985586
"1297954"	600.051564	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Cl+CF3COOH"	148.962264
"1377210"	416.076624	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H-2H2O"	-35.012676
"1393614"	434.0866	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H-H2O"	-17.0027
"293299"	903.185876	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+H"	1.007276
"690098"	1354.275176	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+H"	1.007276
"1367010"	452.096576	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H"	1.007276
"141370"	452.096576	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+2H"	2.014552
"581262"	677.641226	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+2H"	2.014552
"1052614"	226.551926	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2H"	2.014552
"219775"	301.733476	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+3H"	3.021828
"659946"	452.096576	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+3H"	3.021828
"1178272"	151.370376	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+3H"	3.021828
"439849"	920.212423	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+NH4"	18.033823
"801208"	1371.301723	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+NH4"	18.033823
"1696686"	469.123123	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+NH4"	18.033823
"345201"	460.6098495	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+H+NH4"	19.041099
"737134"	686.1544995	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+H+NH4"	19.041099
"1491807"	235.0651995	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H+NH4"	19.041099
"407937"	925.167818	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+Na"	22.989218
"768085"	1376.257118	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+Na"	22.989218
"1611811"	474.078518	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Na"	22.989218
"327315"	463.087547	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+H+Na"	23.996494
"710258"	688.632197	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+H+Na"	23.996494
"1463349"	237.542897	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H+Na"	23.996494
"1055503"	158.69769	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2H+Na"	25.00377
"1259004"	484.122786	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+CH3OH+H"	33.033486
"380493"	941.141758	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+K"	38.963158
"740395"	1392.231058	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+K"	38.963158
"1544639"	490.052458	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+K"	38.963158
"302907"	471.074517	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+H+K"	39.970434
"694234"	696.619167	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+H+K"	39.970434
"1447330"	245.529867	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H+K"	39.970434
"238848"	944.212426	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+ACN+H"	42.033826
"1217026"	493.123126	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+ACN+H"	42.033826
"1195800"	247.065201	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+ACN+2H"	43.041102
"190497"	947.14976	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+2Na-H"	44.97116
"631152"	1398.23906	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+2Na-H"	44.97116
"1136848"	496.06046	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2Na-H"	44.97116
"175151"	474.078518	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+2Na"	45.978436
"618968"	699.623168	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+2Na"	45.978436
"1124298"	248.533868	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2Na"	45.978436
"1407823"	166.025004	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H+2Na"	46.985712
"1438851"	498.102046	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H+HCOOH"	47.012746
"228548"	479.11154	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+3H2O+2H"	56.04448
"1517704"	512.15409	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+IsoProp+H"	61.06479
"422859"	482.065488	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+Na+K"	61.952376
"783855"	707.610138	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+Na+K"	61.952376
"1675813"	256.520838	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Na+K"	61.952376
"260146"	966.194368	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+ACN+Na"	64.015768
"1233946"	515.105068	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+ACN+Na"	64.015768
"1722830"	515.128593	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+NH4+HCOOH"	64.039293
"1186000"	173.352318	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+3Na"	68.967654
"1655891"	520.083988	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Na+HCOOH"	68.994688
"164210"	979.09764	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+2K-H"	76.91904
"601218"	1430.18694	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+2K-H"	76.91904
"1087917"	528.00834	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2K-H"	76.91904
"149107"	490.052458	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"2M+2K"	77.926316
"584294"	715.597108	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"3M+2K"	77.926316
"1071354"	264.507808	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2K"	77.926316
"1102013"	530.022892	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2K+H"	78.933592
"1337061"	530.110507	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+DMSO+H"	79.021207
"1008018"	534.149676	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2ACN+H"	83.060376
"1527241"	535.143308	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+IsoProp+Na+H"	84.054008
"992602"	267.578476	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+2ACN+2H"	84.067652
"1587830"	536.057928	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+K+HCOOH"	84.968628
"1415193"	566.089438	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+H+CF3COOH"	115.000138
"1148520"	288.091751	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+3ACN+2H"	125.094202
"1703538"	583.115985	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+NH4+CF3COOH"	132.026685
"1637005"	588.07138	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+Na+CF3COOH"	136.98208
"1585780"	604.04532	"C06433"	"5-Benzoylphosphoadenosine"	"C17H18N5O8P"	"451.0893"	"M+K+CF3COOH"	152.95602
"806303"	418.089	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M"	0
"979839"	399.07061	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-H2O-H"	-19.01839
"64800"	277.718724	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M-3H"	-3.021828
"509827"	417.081724	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M-3H"	-3.021828
"882162"	138.355724	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-3H"	-3.021828
"9485"	417.081724	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M-2H"	-2.014552
"446860"	626.126224	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M-2H"	-2.014552
"821381"	208.037224	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-2H"	-2.014552
"81376"	835.170724	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M-H"	-1.007276
"518576"	1253.259724	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M-H"	-1.007276
"895670"	417.081724	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-H"	-1.007276
"47239"	852.197271	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M-2H+NH4"	16.019271
"487313"	1270.286271	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M-2H+NH4"	16.019271
"864764"	434.108271	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-2H+NH4"	16.019271
"32062"	857.152666	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M-2H+Na"	20.974666
"473568"	1275.241666	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M-2H+Na"	20.974666
"851369"	439.063666	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-2H+Na"	20.974666
"1619809"	439.063666	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Na-2H"	20.974666
"95607"	435.070063	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M-H+Cl"	33.962126
"534388"	644.114563	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M-H+Cl"	33.962126
"927503"	226.025563	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-H+Cl"	33.962126
"267171"	871.147402	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+Cl"	34.969402
"660028"	1289.236402	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+Cl"	34.969402
"1272807"	453.058402	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Cl"	34.969402
"15716"	873.126606	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M-2H+K"	36.948606
"457463"	1291.215606	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M-2H+K"	36.948606
"838549"	455.037606	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-2H+K"	36.948606
"1563860"	455.037606	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+K-2H"	36.948606
"948463"	463.087194	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-H+HCOOH"	44.998194
"365586"	881.176201	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+HCOOH-H"	44.998201
"352753"	895.191851	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+Hac-H"	59.013851
"1501585"	477.102851	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Hac-H"	59.013851
"969127"	485.069151	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-H+NaCOOH"	66.980151
"122414"	453.058402	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+2Cl"	69.938804
"559785"	662.102902	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+2Cl"	69.938804
"1027494"	244.013902	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2Cl"	69.938804
"1253629"	497.007885	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Br"	78.918885
"1306240"	499.063872	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Cl+HCOOH"	80.974872
"1328110"	521.045829	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Cl+NaCOOH"	102.956829
"920263"	531.074586	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M-H+CF3COOH"	112.985586
"1298064"	567.051264	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Cl+CF3COOH"	148.962264
"1380600"	383.076324	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H-2H2O"	-35.012676
"1391538"	401.0863	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H-H2O"	-17.0027
"292316"	837.185276	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+H"	1.007276
"690208"	1255.274276	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+H"	1.007276
"1366558"	419.096276	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H"	1.007276
"140910"	419.096276	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+2H"	2.014552
"581199"	628.140776	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+2H"	2.014552
"1052511"	210.051776	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2H"	2.014552
"219234"	279.733276	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+3H"	3.021828
"659769"	419.096276	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+3H"	3.021828
"1177897"	140.370276	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+3H"	3.021828
"438856"	854.211823	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+NH4"	18.033823
"800829"	1272.300823	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+NH4"	18.033823
"1696754"	436.122823	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+NH4"	18.033823
"344948"	427.6095495	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+H+NH4"	19.041099
"736515"	636.6540495	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+H+NH4"	19.041099
"1492159"	218.5650495	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H+NH4"	19.041099
"403915"	859.167218	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+Na"	22.989218
"764914"	1277.256218	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+Na"	22.989218
"1610827"	441.078218	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Na"	22.989218
"324874"	430.087247	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+H+Na"	23.996494
"708546"	639.131747	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+H+Na"	23.996494
"1462729"	221.042747	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H+Na"	23.996494
"1054152"	147.69759	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2H+Na"	25.00377
"1260206"	451.122486	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+CH3OH+H"	33.033486
"377723"	875.141158	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+K"	38.963158
"738759"	1293.230158	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+K"	38.963158
"1542564"	457.052158	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+K"	38.963158
"299858"	438.074217	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+H+K"	39.970434
"692523"	647.118717	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+H+K"	39.970434
"1447440"	229.029717	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H+K"	39.970434
"236527"	878.211826	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+ACN+H"	42.033826
"1216042"	460.122826	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+ACN+H"	42.033826
"1194579"	230.565051	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+ACN+2H"	43.041102
"188988"	881.14916	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+2Na-H"	44.97116
"629315"	1299.23816	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+2Na-H"	44.97116
"1132581"	463.06016	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2Na-H"	44.97116
"174412"	441.078218	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+2Na"	45.978436
"617621"	650.122718	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+2Na"	45.978436
"1123316"	232.033718	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2Na"	45.978436
"1405746"	155.024904	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H+2Na"	46.985712
"1437867"	465.101746	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H+HCOOH"	47.012746
"231939"	446.11124	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+3H2O+2H"	56.04448
"1521094"	479.15379	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+IsoProp+H"	61.06479
"421875"	449.065188	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+Na+K"	61.952376
"781778"	658.109688	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+Na+K"	61.952376
"1675922"	240.020688	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Na+K"	61.952376
"262440"	900.193768	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+ACN+Na"	64.015768
"1235148"	482.104768	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+ACN+Na"	64.015768
"1717473"	482.128293	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+NH4+HCOOH"	64.039293
"1183920"	162.352218	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+3Na"	68.967654
"1652719"	487.083688	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Na+HCOOH"	68.994688
"158853"	913.09704	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+2K-H"	76.91904
"598165"	1331.18604	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+2K-H"	76.91904
"1085714"	495.00804	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2K-H"	76.91904
"144114"	457.052158	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"2M+2K"	77.926316
"582700"	666.096658	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"3M+2K"	77.926316
"1070129"	248.007658	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2K"	77.926316
"1100140"	497.022592	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2K+H"	78.933592
"1337776"	497.110207	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+DMSO+H"	79.021207
"1008130"	501.149376	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2ACN+H"	83.060376
"1524476"	502.143008	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+IsoProp+Na+H"	84.054008
"992712"	251.078326	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+2ACN+2H"	84.067652
"1587100"	503.057628	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+K+HCOOH"	84.968628
"1415061"	533.089138	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+H+CF3COOH"	115.000138
"1148022"	271.591601	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+3ACN+2H"	125.094202
"1703648"	550.115685	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+NH4+CF3COOH"	132.026685
"1637115"	555.07108	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+Na+CF3COOH"	136.98208
"1585890"	571.04502	"C06435"	"5-Butyrylphosphoinosine;Inosine 5-phosphobutyrate"	"C14H19N4O9P"	"418.089"	"M+K+CF3COOH"	152.95602
"805319"	394.0777	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M"	0
"981042"	375.05931	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-H2O-H"	-19.01839
"66003"	261.711190666667	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M-3H"	-3.021828
"509937"	393.070424	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M-3H"	-3.021828
"882636"	130.351957333333	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-3H"	-3.021828
"8502"	393.070424	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M-2H"	-2.014552
"448063"	590.109274	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M-2H"	-2.014552
"821491"	196.031574	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-2H"	-2.014552
"83673"	787.148124	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M-H"	-1.007276
"518973"	1181.225824	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M-H"	-1.007276
"895927"	393.070424	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-H"	-1.007276
"48107"	804.174671	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M-2H+NH4"	16.019271
"487790"	1198.252371	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M-2H+NH4"	16.019271
"864547"	410.096971	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-2H+NH4"	16.019271
"32294"	809.130066	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M-2H+Na"	20.974666
"473678"	1203.207766	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M-2H+Na"	20.974666
"851478"	415.052366	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-2H+Na"	20.974666
"1621012"	415.052366	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Na-2H"	20.974666
"96081"	411.058763	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M-H+Cl"	33.962126
"534785"	608.097613	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M-H+Cl"	33.962126
"928061"	214.019913	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-H+Cl"	33.962126
"268076"	823.124802	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+Cl"	34.969402
"661228"	1217.202502	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+Cl"	34.969402
"1273098"	429.047102	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Cl"	34.969402
"16671"	825.104006	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M-2H+K"	36.948606
"457205"	1219.181706	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M-2H+K"	36.948606
"836830"	431.026306	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-2H+K"	36.948606
"1561415"	431.026306	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+K-2H"	36.948606
"947844"	439.075894	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-H+HCOOH"	44.998194
"367882"	833.153601	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+HCOOH-H"	44.998201
"349582"	847.169251	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+Hac-H"	59.013851
"1495861"	453.091551	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Hac-H"	59.013851
"964863"	461.057851	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-H+NaCOOH"	66.980151
"123253"	429.047102	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+2Cl"	69.938804
"560989"	626.085952	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+2Cl"	69.938804
"1030883"	232.008252	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2Cl"	69.938804
"1254103"	472.996585	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Br"	78.918885
"1305499"	475.052572	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Cl+HCOOH"	80.974872
"1324940"	497.034529	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Cl+NaCOOH"	102.956829
"923653"	507.063286	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M-H+CF3COOH"	112.985586
"1298174"	543.039964	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Cl+CF3COOH"	148.962264
"1377430"	359.065024	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H-2H2O"	-35.012676
"1393834"	377.075	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H-H2O"	-17.0027
"293519"	789.162676	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+H"	1.007276
"689224"	1183.240376	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+H"	1.007276
"1366545"	395.084976	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H"	1.007276
"139557"	395.084976	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+2H"	2.014552
"580579"	592.123826	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+2H"	2.014552
"1052056"	198.046126	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2H"	2.014552
"218619"	263.725742666667	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+3H"	3.021828
"659275"	395.084976	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+3H"	3.021828
"1178004"	132.366509333333	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+3H"	3.021828
"439656"	806.189223	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+NH4"	18.033823
"801186"	1200.266923	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+NH4"	18.033823
"1696750"	412.111523	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+NH4"	18.033823
"343840"	403.5982495	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+H+NH4"	19.041099
"738215"	600.6370995	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+H+NH4"	19.041099
"1492154"	206.5593995	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H+NH4"	19.041099
"400745"	811.144618	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+Na"	22.989218
"768303"	1205.222318	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+Na"	22.989218
"1614217"	417.066918	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Na"	22.989218
"324982"	406.075947	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+H+Na"	23.996494
"709387"	603.114797	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+H+Na"	23.996494
"1463569"	209.037097	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H+Na"	23.996494
"1053046"	139.693823333333	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2H+Na"	25.00377
"1261045"	427.111186	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+CH3OH+H"	33.033486
"377914"	827.118558	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+K"	38.963158
"739886"	1221.196258	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+K"	38.963158
"1541581"	433.040858	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+K"	38.963158
"298792"	414.062917	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+H+K"	39.970434
"691654"	611.101767	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+H+K"	39.970434
"1450467"	217.024067	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H+K"	39.970434
"236151"	830.189226	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+ACN+H"	42.033826
"1210683"	436.111526	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+ACN+H"	42.033826
"1194931"	218.559401	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+ACN+2H"	43.041102
"190352"	833.12656	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+2Na-H"	44.97116
"630277"	1227.20426	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+2Na-H"	44.97116
"1134150"	439.04886	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2Na-H"	44.97116
"175980"	417.066918	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+2Na"	45.978436
"616636"	614.105768	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+2Na"	45.978436
"1123426"	220.028068	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2Na"	45.978436
"1404762"	147.021137333333	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H+2Na"	46.985712
"1440163"	441.090446	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H+HCOOH"	47.012746
"230955"	422.09994	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+3H2O+2H"	56.04448
"1520476"	455.14249	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+IsoProp+H"	61.06479
"417251"	425.053888	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+Na+K"	61.952376
"777515"	622.092738	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+Na+K"	61.952376
"1675668"	228.015038	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Na+K"	61.952376
"259271"	852.171168	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+ACN+Na"	64.015768
"1231978"	458.093468	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+ACN+Na"	64.015768
"1724142"	458.116993	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+NH4+HCOOH"	64.039293
"1180750"	154.348451333333	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+3Na"	68.967654
"1652463"	463.072388	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Na+HCOOH"	68.994688
"160416"	865.07444	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+2K-H"	76.91904
"600341"	1259.15214	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+2K-H"	76.91904
"1087404"	470.99674	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2K-H"	76.91904
"143124"	433.040858	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"2M+2K"	77.926316
"584142"	630.079708	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"3M+2K"	77.926316
"1070478"	236.002008	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2K"	77.926316
"1100016"	473.011292	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2K+H"	78.933592
"1336669"	473.098907	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+DMSO+H"	79.021207
"1006903"	477.138076	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2ACN+H"	83.060376
"1524787"	478.131708	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+IsoProp+Na+H"	84.054008
"993186"	239.072676	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+2ACN+2H"	84.067652
"1587237"	479.046328	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+K+HCOOH"	84.968628
"1415412"	509.077838	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+H+CF3COOH"	115.000138
"1149104"	259.585951	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+3ACN+2H"	125.094202
"1703758"	526.104385	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+NH4+CF3COOH"	132.026685
"1637225"	531.05978	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+Na+CF3COOH"	136.98208
"1586000"	547.03372	"C06436"	"5-Butyrylphosphouridine"	"C13H19N2O10P"	"394.0777"	"M+K+CF3COOH"	152.95602
"811996"	354.2406	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M"	0
"980061"	335.22221	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"74865"	235.153124	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"514425"	353.233324	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"888947"	117.072924	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"8614"	353.233324	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"450360"	530.353624	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"819416"	176.113024	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"80624"	707.473924	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"520305"	1061.714524	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"895911"	353.233324	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"47369"	724.500471	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"492899"	1078.741071	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"868513"	370.259871	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"36780"	729.455866	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"473787"	1083.696466	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"851589"	375.215266	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1622216"	375.215266	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"98017"	371.221663	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"535018"	548.341963	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"927315"	194.101363	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"267332"	743.450602	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"660725"	1097.691202	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1273861"	389.210002	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"17757"	745.429806	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"459867"	1099.670406	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"839498"	391.189206	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1567365"	391.189206	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"952695"	399.238794	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"367998"	753.479401	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"350787"	767.495051	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1502901"	413.254451	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"971176"	421.220751	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"120446"	389.210002	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"562192"	566.330302	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1033906"	212.089702	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1250574"	433.159485	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1313022"	435.215472	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1331613"	457.197429	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"925587"	467.226186	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1303388"	503.202864	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1377540"	319.227924	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1397713"	337.2379	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"297645"	709.488476	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"690067"	1063.729076	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1365688"	355.247876	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"140769"	355.247876	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"579964"	532.368176	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1050224"	178.127576	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"218487"	237.167676	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"659591"	355.247876	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1178080"	119.087476	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"439813"	726.515023	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"801258"	1080.755623	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1696041"	372.274423	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"345371"	363.7611495	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"738363"	540.8814495	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1488744"	186.6408495	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"405236"	731.470418	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"762952"	1085.711018	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1612143"	377.229818	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"318898"	366.238847	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"709133"	543.359147	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1462221"	189.118547	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1054130"	126.41479	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1260061"	387.274086	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"379730"	747.444358	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"739998"	1101.684958	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1540714"	393.203758	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"299594"	374.225817	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"702227"	551.346117	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1457870"	197.105517	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"246473"	750.515026	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1217358"	396.274426	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1202335"	198.640851	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"196299"	753.45236	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"638048"	1107.69296	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1142647"	399.21176	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"181563"	377.229818	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"625500"	554.350118	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1127911"	200.109518	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1404879"	133.742104	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1438821"	401.253346	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"229973"	382.26284	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1514761"	415.30539	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"414445"	385.216788	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"774345"	562.337088	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1671039"	208.096488	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"252574"	772.496968	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1233181"	418.256368	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1723159"	418.279893	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1181224"	141.069418	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1656221"	423.235288	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"163082"	785.40024	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"601549"	1139.64084	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1089341"	431.15964	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"145790"	393.203758	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"584257"	570.324058	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1071322"	216.083458	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1100763"	433.174192	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1336784"	433.261807	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1006165"	437.300976	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1524414"	438.294608	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"990500"	219.154126	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1589624"	439.209228	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1416741"	469.240738	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1148122"	239.667401	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1707152"	486.267285	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1636241"	491.22268	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1586111"	507.19662	"C06438"	"Prostaglandin D1"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"804811"	350.2093	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M"	0
"986731"	331.19091	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"74975"	232.465590666667	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"514535"	349.202024	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"889057"	115.729157333333	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"10911"	349.202024	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"452657"	524.306674	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"819527"	174.097374	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"81706"	699.411324	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"518588"	1049.620624	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"895747"	349.202024	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"47167"	716.437871	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"493009"	1066.647171	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"867529"	366.228571	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"36527"	721.393266	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"478274"	1071.602566	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"852792"	371.183966	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1622326"	371.183966	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"98857"	367.190363	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"535249"	542.295013	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"927384"	192.085713	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"267443"	735.388002	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"660347"	1085.597302	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1274581"	385.178702	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"18960"	737.367206	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"457548"	1087.576506	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"835230"	387.157906	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1559816"	387.157906	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"953897"	395.207494	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"369202"	745.416801	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"350897"	759.432451	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1503011"	409.223151	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"972014"	417.189451	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"122380"	385.178702	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"563032"	560.283352	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1034381"	210.074052	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1249590"	429.128185	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1312039"	431.184172	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1332816"	453.166129	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"925212"	463.194886	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1300582"	499.171564	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1377650"	315.196624	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1397824"	333.2066	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"296658"	701.425876	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"689084"	1051.635176	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1366405"	351.216576	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"140514"	351.216576	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"581275"	526.321226	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1052688"	176.111926	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"219951"	234.480142666667	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"659737"	351.216576	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1178346"	117.743709333333	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"439759"	718.452423	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"800675"	1068.661723	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1696881"	368.243123	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"345485"	359.7298495	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"738492"	534.8344995	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1492555"	184.6251995	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"408262"	723.407818	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"766341"	1073.617118	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1616627"	373.198518	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"322289"	362.207547	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"712523"	537.312197	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1465249"	187.102897	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1057401"	125.071023333333	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1262358"	383.242786	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"385308"	739.381758	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"739498"	1089.591058	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1541068"	389.172458	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"299701"	370.194517	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"699053"	545.299167	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1453969"	195.089867	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"243666"	742.452426	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1217468"	392.243126	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1202445"	196.625201	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"196409"	745.38976	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"639251"	1095.59906	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1142757"	395.18046	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"181673"	373.198518	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"626702"	548.303168	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1125833"	198.093868	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1406082"	132.398337333333	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1440027"	397.222046	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"231542"	378.23154	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1513778"	411.27409	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"417834"	381.185488	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"779922"	556.290138	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1674064"	206.080838	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"254022"	764.434368	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1233291"	414.225068	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1723269"	414.248593	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1182427"	139.725651333333	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1657425"	419.203988	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"165379"	777.33764	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"602753"	1127.54694	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1092731"	427.12834	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"144443"	389.172458	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"585098"	564.277108	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1070459"	214.067808	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1100387"	429.142892	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1335963"	429.230507	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1006395"	433.269676	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1524646"	434.263308	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"990612"	217.138476	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1589369"	435.177928	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1416851"	465.209438	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1147868"	237.651751	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1707262"	482.235985	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1636351"	487.19138	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1586221"	503.16532	"C06439"	"Prostaglandin E3"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"813305"	176.0321	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M"	0
"986841"	157.01371	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"75085"	116.347457333333	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"515739"	175.024824	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"892448"	57.6700906666667	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"11022"	175.024824	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"449489"	263.040874	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"819637"	87.008774	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"79262"	351.056924	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"521378"	527.089024	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"895765"	175.024824	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"47469"	368.083471	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"487399"	544.115571	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"867639"	192.051371	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"37729"	373.038866	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"478384"	549.070966	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"853268"	197.006766	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1621343"	197.006766	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"99331"	193.013163	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"534590"	281.029213	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"927111"	104.997113	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"268407"	387.033602	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"661193"	563.065702	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1274082"	211.001502	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"18341"	389.012806	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"457903"	565.044906	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"834612"	212.980706	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1559926"	212.980706	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"954371"	221.030294	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"374779"	397.062401	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"354287"	411.078051	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1507497"	235.045951	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"973583"	243.012251	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"124678"	211.001502	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"565291"	299.017552	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1034491"	122.985452	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1251887"	254.950985	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1312149"	257.006972	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1334385"	278.988929	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"926172"	289.017686	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1299599"	324.994364	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1377760"	141.019424	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1397446"	159.0294	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"297505"	353.071476	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"689561"	529.103576	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1364455"	177.039376	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"140261"	177.039376	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"580551"	265.055426	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1051537"	89.023326	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"219916"	118.362009333333	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"659935"	177.039376	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1178381"	59.6846426666667	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"439544"	370.098023	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"801327"	546.130123	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1696264"	194.065923	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"345270"	185.5526495	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"738412"	273.5686995	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1490423"	97.5365995	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"406916"	375.053418	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"767547"	551.085518	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1614550"	199.021318	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"325681"	188.030347	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"714820"	276.046397	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1461671"	100.014297	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1056419"	67.0119566666667	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1260283"	209.065586	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"381047"	391.027358	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"739000"	567.059458	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1540814"	214.995258	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"299688"	196.017317	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"699163"	284.033367	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1450796"	108.001267	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"242680"	394.098026	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1216485"	218.065926	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1202555"	109.536601	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"197612"	397.03536	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"639361"	573.06746	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1142867"	221.00326	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"181783"	199.021318	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"625720"	287.037368	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1129955"	111.005268	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1406191"	74.3392706666667	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1441956"	223.044846	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"228005"	204.05434	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1518260"	237.09689	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"419766"	207.008288	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"776755"	295.024338	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1678547"	118.992238	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"253769"	416.079968	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1233400"	240.047868	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1723379"	240.071393	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1182537"	81.6665846666667	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1655348"	245.026788	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"163302"	428.98324	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"599582"	605.01534	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1090655"	252.95114	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"152938"	214.995258	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"584844"	303.011308	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1069963"	126.979208	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1099912"	254.965692	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1336394"	255.053307	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1006509"	259.092476	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1524190"	260.086108	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"990231"	130.049876	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1588751"	261.000728	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1418784"	291.032238	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1150166"	150.563151	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1701903"	308.058785	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1635731"	313.01418	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1586331"	328.98812	"C06440"	"2-Dehydro-D-glucono-15-lactone"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"803574"	230.0192	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"984767"	211.00081	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"73009"	152.338857333333	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"513662"	229.011924	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"891465"	75.6657906666667	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"11133"	229.011924	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"448506"	344.021524	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"819017"	114.002324	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"79372"	459.031124	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"518644"	689.050324	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"895790"	229.011924	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"48561"	476.057671	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"491039"	706.076871	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"868842"	246.038471	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"37841"	481.013066	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"479587"	711.032266	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"853014"	250.993866	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1621453"	250.993866	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"99441"	247.000263	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"538270"	362.009863	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"927227"	131.990663	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"269979"	495.007802	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"662763"	725.027002	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1278813"	264.988602	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"18087"	496.987006	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"459836"	727.006206	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"836545"	266.967806	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1561129"	266.967806	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"951201"	275.017394	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"375983"	505.036601	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"359867"	519.052251	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1505421"	289.033051	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"971867"	296.999351	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"121871"	264.988602	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"562522"	379.998202	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1031321"	149.979002	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1251997"	308.938085	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1313352"	310.994072	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1330851"	332.976029	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"924094"	343.004786	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1300802"	378.981464	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1374590"	195.006524	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1397558"	213.0165	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"297731"	461.045676	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"690398"	691.064876	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1366624"	231.026476	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"140004"	231.026476	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"580054"	346.036076	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1051527"	116.016876	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"219427"	154.353409333333	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"659722"	231.026476	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1178360"	77.6803426666667	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"439657"	478.072223	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"801141"	708.091423	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1696494"	248.053023	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"345141"	239.5397495	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"737807"	354.5493495	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1491626"	124.5301495	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"405568"	483.027618	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"767292"	713.046818	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1615755"	253.008418	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"324697"	242.017447	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"713837"	357.027047	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1463284"	127.007847	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1052923"	85.0076566666667	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1258206"	263.052686	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"380064"	499.001558	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"742520"	729.020758	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1545302"	268.982358	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"299561"	250.004417	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"700370"	365.014017	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1453096"	134.994817	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"243887"	502.072226	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1222063"	272.053026	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1204854"	136.530151	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"196629"	505.00956	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"639472"	735.02876	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1144073"	274.99036	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"184081"	253.008418	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"623644"	368.018018	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1127149"	137.998818	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1406305"	92.3349706666667	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1438422"	277.031946	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"229212"	258.04144	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1516182"	291.08399	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"416961"	260.995388	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"779778"	376.004988	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1675377"	145.985788	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"256432"	524.054168	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1225933"	294.034968	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1714378"	294.058493	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1178757"	99.6622846666667	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1651811"	299.013888	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"162321"	536.95744	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"598963"	766.97664	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1087850"	306.93824	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"144301"	268.982358	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"586049"	383.991958	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1069831"	153.972758	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1099978"	308.952792	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1335784"	309.040407	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1006134"	313.079576	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1526813"	314.073208	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"991075"	157.043426	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1595423"	314.987828	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1416343"	345.019338	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1155744"	177.556701	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1702013"	362.045885	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1634827"	367.00128	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1586441"	382.97522	"C06441"	"L-Xylulose 1-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"806964"	160.0848	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M"	0
"989698"	141.06641	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-H2O-H"	-19.01839
"78221"	105.715924	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M-3H"	-3.021828
"518420"	159.077524	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M-3H"	-3.021828
"894855"	52.354324	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-3H"	-3.021828
"14888"	159.077524	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M-2H"	-2.014552
"451896"	239.119924	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M-2H"	-2.014552
"820952"	79.035124	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-2H"	-2.014552
"81308"	319.162324	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M-H"	-1.007276
"522691"	479.247124	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M-H"	-1.007276
"896967"	159.077524	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-H"	-1.007276
"47699"	336.188871	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M-2H+NH4"	16.019271
"488353"	496.273671	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M-2H+NH4"	16.019271
"867858"	176.104071	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-2H+NH4"	16.019271
"41231"	341.144266	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M-2H+Na"	20.974666
"482979"	501.229066	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M-2H+Na"	20.974666
"862846"	181.059466	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-2H+Na"	20.974666
"1623751"	181.059466	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Na-2H"	20.974666
"101373"	177.065863	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M-H+Cl"	33.962126
"542027"	257.108263	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M-H+Cl"	33.962126
"928612"	97.023463	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-H+Cl"	33.962126
"273005"	355.139002	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+Cl"	34.969402
"665426"	515.223802	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+Cl"	34.969402
"1276737"	195.054202	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Cl"	34.969402
"20020"	357.118206	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M-2H+K"	36.948606
"462133"	517.203006	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M-2H+K"	36.948606
"837749"	197.033406	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-2H+K"	36.948606
"1561239"	197.033406	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+K-2H"	36.948606
"953498"	205.082994	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-H+HCOOH"	44.998194
"375000"	365.167801	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+HCOOH-H"	44.998201
"355601"	379.183451	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+Hac-H"	59.013851
"1500058"	219.098651	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Hac-H"	59.013851
"970883"	227.064951	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-H+NaCOOH"	66.980151
"125312"	195.054202	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+2Cl"	69.938804
"564819"	275.096602	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+2Cl"	69.938804
"1030338"	115.011802	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2Cl"	69.938804
"1256363"	239.003685	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Br"	78.918885
"1312369"	241.059672	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Cl+HCOOH"	80.974872
"1333877"	263.041629	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Cl+NaCOOH"	102.956829
"925299"	273.070386	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M-H+CF3COOH"	112.985586
"1302006"	309.047064	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Cl+CF3COOH"	148.962264
"1380896"	125.072124	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H-2H2O"	-35.012676
"1397667"	143.0821	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H-H2O"	-17.0027
"298202"	321.176876	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+H"	1.007276
"691157"	481.261676	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+H"	1.007276
"1366254"	161.092076	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H"	1.007276
"139753"	161.092076	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+2H"	2.014552
"580406"	241.134476	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+2H"	2.014552
"1051879"	81.049676	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2H"	2.014552
"219780"	107.730476	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+3H"	3.021828
"658984"	161.092076	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+3H"	3.021828
"1177475"	54.368876	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+3H"	3.021828
"439522"	338.203423	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+NH4"	18.033823
"800526"	498.288223	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+NH4"	18.033823
"1696806"	178.118623	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+NH4"	18.033823
"345250"	169.6053495	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+H+NH4"	19.041099
"738197"	249.6477495	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+H+NH4"	19.041099
"1490280"	89.5629495	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H+NH4"	19.041099
"406775"	343.158818	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+Na"	22.989218
"766675"	503.243618	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+Na"	22.989218
"1615503"	183.074018	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Na"	22.989218
"326269"	172.083047	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+H+Na"	23.996494
"719781"	252.125447	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+H+Na"	23.996494
"1463394"	92.040647	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H+Na"	23.996494
"1054087"	61.69619	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2H+Na"	25.00377
"1259410"	193.118286	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+CH3OH+H"	33.033486
"382361"	359.132758	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+K"	38.963158
"749922"	519.217558	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+K"	38.963158
"1545412"	199.047958	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+K"	38.963158
"304774"	180.070017	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+H+K"	39.970434
"698294"	260.112417	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+H+K"	39.970434
"1453207"	100.027617	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H+K"	39.970434
"240715"	362.203426	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+ACN+H"	42.033826
"1212331"	202.118626	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+ACN+H"	42.033826
"1203870"	101.562951	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+ACN+2H"	43.041102
"200020"	365.14076	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+2Na-H"	44.97116
"638488"	525.22556	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+2Na-H"	44.97116
"1137621"	205.05596	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2Na-H"	44.97116
"186378"	183.074018	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+2Na"	45.978436
"624845"	263.116418	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+2Na"	45.978436
"1123247"	103.031618	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2Na"	45.978436
"1406415"	69.023504	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H+2Na"	46.985712
"1440722"	207.097546	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H+HCOOH"	47.012746
"229325"	188.10704	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+3H2O+2H"	56.04448
"1518480"	221.14959	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+IsoProp+H"	61.06479
"415981"	191.060988	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+Na+K"	61.952376
"778068"	271.103388	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+Na+K"	61.952376
"1677675"	111.018588	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Na+K"	61.952376
"259825"	384.185368	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+ACN+Na"	64.015768
"1229977"	224.100568	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+ACN+Na"	64.015768
"1718136"	224.124093	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+NH4+HCOOH"	64.039293
"1182759"	76.350818	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+3Na"	68.967654
"1653381"	229.079488	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Na+HCOOH"	68.994688
"163525"	397.08864	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+2K-H"	76.91904
"599075"	557.17344	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+2K-H"	76.91904
"1088690"	237.00384	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2K-H"	76.91904
"145506"	199.047958	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"2M+2K"	77.926316
"587252"	279.090358	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"3M+2K"	77.926316
"1072857"	119.005558	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2K"	77.926316
"1102791"	239.018392	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2K+H"	78.933592
"1336381"	239.106007	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+DMSO+H"	79.021207
"1006609"	243.145176	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2ACN+H"	83.060376
"1524856"	244.138808	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+IsoProp+Na+H"	84.054008
"992642"	122.076226	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+2ACN+2H"	84.067652
"1595533"	245.053428	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+K+HCOOH"	84.968628
"1419004"	275.084938	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+H+CF3COOH"	115.000138
"1155854"	142.589501	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+3ACN+2H"	125.094202
"1702123"	292.111485	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+NH4+CF3COOH"	132.026685
"1635587"	297.06688	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+Na+CF3COOH"	136.98208
"1586551"	313.04082	"C06442"	"N(gamma)-Acetyldiaminobutyrate;N4-Acetyl-L-24-diaminobutyrate;N4-Acetyl-L-24-diaminobutanoate"	"C6H12N2O3"	"160.0848"	"M+K+CF3COOH"	152.95602
"812545"	418.1376	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M"	0
"984985"	399.11921	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-H2O-H"	-19.01839
"73227"	277.751124	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M-3H"	-3.021828
"513880"	417.130324	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M-3H"	-3.021828
"890590"	138.371924	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-3H"	-3.021828
"4793"	417.130324	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M-2H"	-2.014552
"440948"	626.199124	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M-2H"	-2.014552
"819602"	208.061524	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-2H"	-2.014552
"78892"	835.267924	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M-H"	-1.007276
"519024"	1253.405524	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M-H"	-1.007276
"896344"	417.130324	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-H"	-1.007276
"47433"	852.294471	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M-2H+NH4"	16.019271
"493814"	1270.432071	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M-2H+NH4"	16.019271
"877815"	434.156871	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-2H+NH4"	16.019271
"41342"	857.249866	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M-2H+Na"	20.974666
"483089"	1275.387466	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M-2H+Na"	20.974666
"863564"	439.112266	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-2H+Na"	20.974666
"1624954"	439.112266	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Na-2H"	20.974666
"100390"	435.118663	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M-H+Cl"	33.962126
"544324"	644.187463	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M-H+Cl"	33.962126
"940027"	226.049863	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-H+Cl"	33.962126
"275304"	871.244602	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+Cl"	34.969402
"662258"	1289.382202	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+Cl"	34.969402
"1277943"	453.107002	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Cl"	34.969402
"21591"	873.223806	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M-2H+K"	36.948606
"462246"	1291.361406	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M-2H+K"	36.948606
"843329"	455.086206	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-2H+K"	36.948606
"1570100"	455.086206	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+K-2H"	36.948606
"951425"	463.135794	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-H+HCOOH"	44.998194
"373650"	881.273401	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+HCOOH-H"	44.998201
"355713"	895.289051	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+Hac-H"	59.013851
"1504182"	477.151451	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Hac-H"	59.013851
"973915"	485.117751	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-H+NaCOOH"	66.980151
"125133"	453.107002	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+2Cl"	69.938804
"564569"	662.175802	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+2Cl"	69.938804
"1035920"	244.038202	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2Cl"	69.938804
"1248937"	497.056485	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Br"	78.918885
"1315758"	499.112472	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Cl+HCOOH"	80.974872
"1328881"	521.094429	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Cl+NaCOOH"	102.956829
"921033"	531.123186	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M-H+CF3COOH"	112.985586
"1297741"	567.099864	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Cl+CF3COOH"	148.962264
"1378092"	383.124924	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H-2H2O"	-35.012676
"1394131"	401.1349	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H-H2O"	-17.0027
"296368"	837.282476	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+H"	1.007276
"690248"	1255.420076	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+H"	1.007276
"1366969"	419.144876	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H"	1.007276
"141074"	419.144876	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+2H"	2.014552
"581272"	628.213676	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+2H"	2.014552
"1052432"	210.076076	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2H"	2.014552
"219732"	279.765676	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+3H"	3.021828
"659450"	419.144876	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+3H"	3.021828
"1178390"	140.386476	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+3H"	3.021828
"439956"	854.309023	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+NH4"	18.033823
"801195"	1272.446623	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+NH4"	18.033823
"1696833"	436.171423	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+NH4"	18.033823
"345231"	427.6581495	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+H+NH4"	19.041099
"735842"	636.7269495	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+H+NH4"	19.041099
"1488204"	218.5893495	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H+NH4"	19.041099
"405427"	859.264418	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+Na"	22.989218
"767514"	1277.402018	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+Na"	22.989218
"1612694"	441.126818	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Na"	22.989218
"322732"	430.135847	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+H+Na"	23.996494
"719524"	639.204647	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+H+Na"	23.996494
"1473345"	221.067047	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H+Na"	23.996494
"1060031"	147.71379	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2H+Na"	25.00377
"1261708"	451.171086	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+CH3OH+H"	33.033486
"378943"	875.238358	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+K"	38.963158
"750763"	1293.375958	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+K"	38.963158
"1552084"	457.100758	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+K"	38.963158
"309995"	438.122817	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+H+K"	39.970434
"699497"	647.191617	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+H+K"	39.970434
"1452223"	229.054017	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H+K"	39.970434
"240827"	878.309026	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+ACN+H"	42.033826
"1212438"	460.171426	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+ACN+H"	42.033826
"1195347"	230.589351	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+ACN+2H"	43.041102
"195758"	881.24636	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+2Na-H"	44.97116
"635318"	1299.38396	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+2Na-H"	44.97116
"1135174"	463.10876	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2Na-H"	44.97116
"179927"	441.126818	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+2Na"	45.978436
"617301"	650.195618	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+2Na"	45.978436
"1128108"	232.058018	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2Na"	45.978436
"1410176"	155.041104	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H+2Na"	46.985712
"1440832"	465.150346	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H+HCOOH"	47.012746
"228342"	446.15984	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+3H2O+2H"	56.04448
"1520413"	479.20239	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+IsoProp+H"	61.06479
"417182"	449.113788	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+Na+K"	61.952376
"778176"	658.182588	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+Na+K"	61.952376
"1674505"	240.044988	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Na+K"	61.952376
"257746"	900.290968	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+ACN+Na"	64.015768
"1230456"	482.153368	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+ACN+Na"	64.015768
"1718248"	482.176893	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+NH4+HCOOH"	64.039293
"1181415"	162.368418	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+3Na"	68.967654
"1657869"	487.132288	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Na+HCOOH"	68.994688
"159262"	913.19424	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+2K-H"	76.91904
"599185"	1331.33184	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+2K-H"	76.91904
"1087708"	495.05664	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2K-H"	76.91904
"145616"	457.100758	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"2M+2K"	77.926316
"581522"	666.169558	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"3M+2K"	77.926316
"1070787"	248.031958	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2K"	77.926316
"1100342"	497.071192	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2K+H"	78.933592
"1338192"	497.158807	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+DMSO+H"	79.021207
"1006598"	501.197976	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2ACN+H"	83.060376
"1529225"	502.191608	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+IsoProp+Na+H"	84.054008
"996766"	251.102626	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+2ACN+2H"	84.067652
"1593457"	503.106228	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+K+HCOOH"	84.968628
"1429329"	533.137738	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+H+CF3COOH"	115.000138
"1157058"	271.615901	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+3ACN+2H"	125.094202
"1701142"	550.164285	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+NH4+CF3COOH"	132.026685
"1638980"	555.11968	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+Na+CF3COOH"	136.98208
"1586662"	571.09362	"C06446"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine"	"C20H22N2O8"	"418.1376"	"M+K+CF3COOH"	152.95602
"813746"	417.1536	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M"	0
"988375"	398.13521	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-H2O-H"	-19.01839
"78350"	277.095124	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M-3H"	-3.021828
"516178"	416.146324	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M-3H"	-3.021828
"891794"	138.043924	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-3H"	-3.021828
"2716"	416.146324	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M-2H"	-2.014552
"440569"	624.723124	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M-2H"	-2.014552
"820081"	207.569524	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-2H"	-2.014552
"84447"	833.299924	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M-H"	-1.007276
"521821"	1250.453524	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M-H"	-1.007276
"896821"	416.146324	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-H"	-1.007276
"47791"	850.326471	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M-2H+NH4"	16.019271
"495746"	1267.480071	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M-2H+NH4"	16.019271
"878412"	433.172871	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-2H+NH4"	16.019271
"45464"	855.281866	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M-2H+Na"	20.974666
"481011"	1272.435466	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M-2H+Na"	20.974666
"858812"	438.128266	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-2H+Na"	20.974666
"1625064"	438.128266	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Na-2H"	20.974666
"96125"	434.134663	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M-H+Cl"	33.962126
"540060"	642.711463	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M-H+Cl"	33.962126
"933575"	225.557863	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-H+Cl"	33.962126
"275415"	869.276602	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+Cl"	34.969402
"664554"	1286.430202	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+Cl"	34.969402
"1279146"	452.123002	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Cl"	34.969402
"23889"	871.255806	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M-2H+K"	36.948606
"462353"	1288.409406	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M-2H+K"	36.948606
"839062"	454.102206	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-2H+K"	36.948606
"1569846"	454.102206	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+K-2H"	36.948606
"952628"	462.151794	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-H+HCOOH"	44.998194
"373396"	879.305401	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+HCOOH-H"	44.998201
"354727"	893.321051	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+Hac-H"	59.013851
"1507208"	476.167451	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Hac-H"	59.013851
"974149"	484.133751	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-H+NaCOOH"	66.980151
"125491"	452.123002	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+2Cl"	69.938804
"565624"	660.699802	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+2Cl"	69.938804
"1037038"	243.546202	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2Cl"	69.938804
"1252327"	496.072485	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Br"	78.918885
"1315868"	498.128472	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Cl+HCOOH"	80.974872
"1325711"	520.110429	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Cl+NaCOOH"	102.956829
"921143"	530.139186	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M-H+CF3COOH"	112.985586
"1298944"	566.115864	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Cl+CF3COOH"	148.962264
"1380753"	382.140924	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H-2H2O"	-35.012676
"1396427"	400.1509	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H-H2O"	-17.0027
"296843"	835.314476	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+H"	1.007276
"690723"	1252.468076	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+H"	1.007276
"1366349"	418.160876	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H"	1.007276
"141307"	418.160876	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+2H"	2.014552
"581149"	626.737676	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+2H"	2.014552
"1052541"	209.584076	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2H"	2.014552
"219844"	279.109676	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+3H"	3.021828
"659481"	418.160876	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+3H"	3.021828
"1178213"	140.058476	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+3H"	3.021828
"439742"	852.341023	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+NH4"	18.033823
"800492"	1269.494623	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+NH4"	18.033823
"1696334"	435.187423	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+NH4"	18.033823
"344978"	426.6741495	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+H+NH4"	19.041099
"737413"	635.2509495	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+H+NH4"	19.041099
"1491963"	218.0973495	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H+NH4"	19.041099
"408088"	857.296418	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+Na"	22.989218
"769082"	1274.450018	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+Na"	22.989218
"1616816"	440.142818	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Na"	22.989218
"327581"	429.151847	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+H+Na"	23.996494
"713076"	637.728647	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+H+Na"	23.996494
"1471269"	220.575047	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H+Na"	23.996494
"1059048"	147.38579	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2H+Na"	25.00377
"1265099"	450.187086	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+CH3OH+H"	33.033486
"378937"	873.270358	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+K"	38.963158
"746865"	1290.423958	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+K"	38.963158
"1550008"	456.116758	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+K"	38.963158
"311562"	437.138817	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+H+K"	39.970434
"703982"	645.715617	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+H+K"	39.970434
"1457804"	228.562017	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H+K"	39.970434
"247498"	876.341026	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+ACN+H"	42.033826
"1220206"	459.187426	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+ACN+H"	42.033826
"1198621"	230.097351	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+ACN+2H"	43.041102
"202920"	879.27836	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+2Na-H"	44.97116
"643208"	1296.43196	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+2Na-H"	44.97116
"1146105"	462.12476	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2Na-H"	44.97116
"185505"	440.142818	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+2Na"	45.978436
"623972"	648.719618	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+2Na"	45.978436
"1126395"	231.566018	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2Na"	45.978436
"1412107"	154.713104	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H+2Na"	46.985712
"1440942"	464.166346	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H+HCOOH"	47.012746
"231731"	445.17584	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+3H2O+2H"	56.04448
"1519792"	478.21839	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+IsoProp+H"	61.06479
"419478"	448.129788	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+Na+K"	61.952376
"781565"	656.706588	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+Na+K"	61.952376
"1675709"	239.552988	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Na+K"	61.952376
"258949"	898.322968	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+ACN+Na"	64.015768
"1228013"	481.169368	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+ACN+Na"	64.015768
"1720545"	481.192893	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+NH4+HCOOH"	64.039293
"1183710"	162.040418	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+3Na"	68.967654
"1657979"	486.148288	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Na+HCOOH"	68.994688
"159372"	911.22624	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+2K-H"	76.91904
"606586"	1328.37984	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+2K-H"	76.91904
"1087818"	494.07264	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2K-H"	76.91904
"145726"	456.116758	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"2M+2K"	77.926316
"582370"	664.693558	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"3M+2K"	77.926316
"1079647"	247.539958	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2K"	77.926316
"1110669"	496.087192	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2K+H"	78.933592
"1345960"	496.174807	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+DMSO+H"	79.021207
"1007927"	500.213976	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2ACN+H"	83.060376
"1529335"	501.207608	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+IsoProp+Na+H"	84.054008
"993596"	250.610626	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+2ACN+2H"	84.067652
"1601100"	502.122228	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+K+HCOOH"	84.968628
"1429441"	532.153738	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+H+CF3COOH"	115.000138
"1157168"	271.123901	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+3ACN+2H"	125.094202
"1701252"	549.180285	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+NH4+CF3COOH"	132.026685
"1639090"	554.13568	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+Na+CF3COOH"	136.98208
"1586772"	570.10962	"C06447"	"2-N6-N-Bis(23-dihydroxybenzoyl)-L-lysine amide"	"C20H23N3O7"	"417.1536"	"M+K+CF3COOH"	152.95602
"807295"	539.1904	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M"	0
"987391"	520.17201	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-H2O-H"	-19.01839
"71260"	358.452990666667	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M-3H"	-3.021828
"510820"	538.183124	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M-3H"	-3.021828
"888621"	178.722857333333	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-3H"	-3.021828
"8293"	538.183124	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M-2H"	-2.014552
"441046"	807.778324	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M-2H"	-2.014552
"819826"	268.587924	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-2H"	-2.014552
"83827"	1077.373524	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M-H"	-1.007276
"522295"	1616.563924	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M-H"	-1.007276
"896932"	538.183124	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-H"	-1.007276
"49364"	1094.400071	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M-2H+NH4"	16.019271
"492212"	1633.590471	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M-2H+NH4"	16.019271
"877914"	555.209671	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-2H+NH4"	16.019271
"44844"	1099.355466	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M-2H+Na"	20.974666
"484402"	1638.545866	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M-2H+Na"	20.974666
"858922"	560.165066	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-2H+Na"	20.974666
"1624080"	560.165066	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Na-2H"	20.974666
"96234"	556.171463	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M-H+Cl"	33.962126
"539076"	825.766663	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M-H+Cl"	33.962126
"928338"	286.576263	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-H+Cl"	33.962126
"277712"	1113.350202	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+Cl"	34.969402
"663571"	1652.540602	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+Cl"	34.969402
"1278163"	574.159802	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Cl"	34.969402
"21813"	1115.329406	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M-2H+K"	36.948606
"460277"	1654.519806	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M-2H+K"	36.948606
"836986"	576.139006	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-2H+K"	36.948606
"1570806"	576.139006	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+K-2H"	36.948606
"956017"	584.188594	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-H+HCOOH"	44.998194
"375327"	1123.379001	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+HCOOH-H"	44.998201
"357023"	1137.394651	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+Hac-H"	59.013851
"1508007"	598.204251	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Hac-H"	59.013851
"974104"	606.170551	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-H+NaCOOH"	66.980151
"125661"	574.159802	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+2Cl"	69.938804
"565557"	843.755002	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+2Cl"	69.938804
"1036998"	304.564602	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2Cl"	69.938804
"1252437"	618.109285	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Br"	78.918885
"1314885"	620.165272	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Cl+HCOOH"	80.974872
"1325821"	642.147229	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Cl+NaCOOH"	102.956829
"921253"	652.175986	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M-H+CF3COOH"	112.985586
"1297961"	688.152664	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Cl+CF3COOH"	148.962264
"1379405"	504.177724	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H-2H2O"	-35.012676
"1396902"	522.1877	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H-H2O"	-17.0027
"297682"	1079.388076	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+H"	1.007276
"691286"	1618.578476	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+H"	1.007276
"1366662"	540.197676	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H"	1.007276
"141090"	540.197676	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+2H"	2.014552
"581233"	809.792876	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+2H"	2.014552
"1052574"	270.602476	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2H"	2.014552
"219625"	360.467542666667	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+3H"	3.021828
"659836"	540.197676	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+3H"	3.021828
"1178475"	180.737409333333	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+3H"	3.021828
"439605"	1096.414623	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+NH4"	18.033823
"800845"	1635.605023	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+NH4"	18.033823
"1696766"	557.224223	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+NH4"	18.033823
"345328"	548.7109495	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+H+NH4"	19.041099
"736792"	818.3061495	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+H+NH4"	19.041099
"1492074"	279.1157495	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H+NH4"	19.041099
"407472"	1101.370018	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+Na"	22.989218
"768706"	1640.560418	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+Na"	22.989218
"1615104"	562.179618	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Na"	22.989218
"325139"	551.188647	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+H+Na"	23.996494
"713185"	820.783847	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+H+Na"	23.996494
"1464819"	281.593447	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H+Na"	23.996494
"1061344"	188.064723333333	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2H+Na"	25.00377
"1264116"	572.223886	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+CH3OH+H"	33.033486
"378804"	1117.343958	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+K"	38.963158
"748068"	1656.534358	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+K"	38.963158
"1547932"	578.153558	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+K"	38.963158
"311308"	559.175617	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+H+K"	39.970434
"705185"	828.770817	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+H+K"	39.970434
"1456820"	289.580417	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H+K"	39.970434
"247608"	1120.414626	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+ACN+H"	42.033826
"1217036"	581.224226	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+ACN+H"	42.033826
"1199095"	291.115751	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+ACN+2H"	43.041102
"202541"	1123.35196	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+2Na-H"	44.97116
"643803"	1662.54236	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+2Na-H"	44.97116
"1145606"	584.16156	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2Na-H"	44.97116
"186709"	562.179618	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+2Na"	45.978436
"622990"	831.774818	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+2Na"	45.978436
"1124318"	292.584418	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2Na"	45.978436
"1411124"	195.392037333333	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H+2Na"	46.985712
"1443239"	586.203146	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H+HCOOH"	47.012746
"234756"	567.21264	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+3H2O+2H"	56.04448
"1522090"	600.25519	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+IsoProp+H"	61.06479
"419588"	570.166588	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+Na+K"	61.952376
"779488"	839.761788	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+Na+K"	61.952376
"1675819"	300.571388	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Na+K"	61.952376
"260154"	1142.396568	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+ACN+Na"	64.015768
"1231770"	603.206168	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+ACN+Na"	64.015768
"1718468"	603.229693	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+NH4+HCOOH"	64.039293
"1183822"	202.719351333333	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+3Na"	68.967654
"1658089"	608.185088	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Na+HCOOH"	68.994688
"159482"	1155.29984	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+2K-H"	76.91904
"606696"	1694.49024	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+2K-H"	76.91904
"1089021"	616.10944	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2K-H"	76.91904
"144743"	578.153558	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"2M+2K"	77.926316
"583331"	847.748758	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"3M+2K"	77.926316
"1079757"	308.558358	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2K"	77.926316
"1110779"	618.123992	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2K+H"	78.933592
"1349108"	618.211607	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+DMSO+H"	79.021207
"1010225"	622.250776	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2ACN+H"	83.060376
"1528351"	623.244408	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+IsoProp+Na+H"	84.054008
"993706"	311.629026	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+2ACN+2H"	84.067652
"1601331"	624.159028	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+K+HCOOH"	84.968628
"1429778"	654.190538	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+H+CF3COOH"	115.000138
"1157278"	332.142301	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+3ACN+2H"	125.094202
"1701362"	671.217085	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+NH4+CF3COOH"	132.026685
"1642480"	676.17248	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+Na+CF3COOH"	136.98208
"1586882"	692.14642	"C06450"	"Myxochelin C"	"C27H29N3O9"	"539.1904"	"M+K+CF3COOH"	152.95602
"807405"	126.0082	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M"	0
"987501"	106.98981	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-H2O-H"	-19.01839
"71370"	82.9981906666667	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M-3H"	-3.021828
"510930"	125.000924	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M-3H"	-3.021828
"888731"	40.9954573333333	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-3H"	-3.021828
"4027"	125.000924	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M-2H"	-2.014552
"440468"	188.005024	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M-2H"	-2.014552
"818476"	61.996824	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-2H"	-2.014552
"81385"	251.009124	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M-H"	-1.007276
"520581"	377.017324	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M-H"	-1.007276
"895947"	125.000924	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-H"	-1.007276
"47284"	268.035671	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M-2H+NH4"	16.019271
"487820"	394.043871	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M-2H+NH4"	16.019271
"864765"	142.027471	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-2H+NH4"	16.019271
"38388"	272.991066	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M-2H+Na"	20.974666
"481230"	398.999266	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M-2H+Na"	20.974666
"855752"	146.982866	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-2H+Na"	20.974666
"1618645"	146.982866	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Na-2H"	20.974666
"95252"	142.989263	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M-H+Cl"	33.962126
"539186"	205.993363	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M-H+Cl"	33.962126
"928324"	79.985163	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-H+Cl"	33.962126
"277822"	286.985802	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+Cl"	34.969402
"662588"	412.994002	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+Cl"	34.969402
"1277179"	160.977602	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Cl"	34.969402
"21923"	288.965006	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M-2H+K"	36.948606
"459294"	414.973206	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M-2H+K"	36.948606
"836003"	162.956806	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-2H+K"	36.948606
"1569335"	162.956806	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+K-2H"	36.948606
"955032"	171.006394	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-H+HCOOH"	44.998194
"371061"	297.014601	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+HCOOH-H"	44.998201
"356037"	311.030251	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+Hac-H"	59.013851
"1497215"	185.022051	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Hac-H"	59.013851
"966946"	192.988351	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-H+NaCOOH"	66.980151
"122418"	160.977602	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+2Cl"	69.938804
"565600"	223.981702	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+2Cl"	69.938804
"1035155"	97.973502	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2Cl"	69.938804
"1250361"	204.927085	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Br"	78.918885
"1318643"	206.983072	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Cl+HCOOH"	80.974872
"1325931"	228.965029	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Cl+NaCOOH"	102.956829
"920270"	238.993786	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M-H+CF3COOH"	112.985586
"1298071"	274.970464	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Cl+CF3COOH"	148.962264
"1377327"	90.995524	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H-2H2O"	-35.012676
"1396648"	109.0055	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H-H2O"	-17.0027
"297428"	253.023676	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+H"	1.007276
"690578"	379.031876	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+H"	1.007276
"1367026"	127.015476	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H"	1.007276
"140674"	127.015476	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+2H"	2.014552
"580962"	190.019576	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+2H"	2.014552
"1050365"	64.011376	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2H"	2.014552
"219609"	85.0127426666667	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+3H"	3.021828
"659042"	127.015476	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+3H"	3.021828
"1178146"	43.0100093333333	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+3H"	3.021828
"439797"	270.050223	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+NH4"	18.033823
"800100"	396.058423	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+NH4"	18.033823
"1696429"	144.042023	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+NH4"	18.033823
"345074"	135.5287495	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+H+NH4"	19.041099
"738199"	198.5328495	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+H+NH4"	19.041099
"1491087"	72.5246495	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H+NH4"	19.041099
"405026"	275.005618	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+Na"	22.989218
"769178"	401.013818	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+Na"	22.989218
"1614120"	148.997418	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Na"	22.989218
"325614"	138.006447	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+H+Na"	23.996494
"713295"	201.010547	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+H+Na"	23.996494
"1467116"	75.002347	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H+Na"	23.996494
"1057447"	50.3373233333333	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2H+Na"	25.00377
"1259852"	159.041686	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+CH3OH+H"	33.033486
"382805"	290.979558	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+K"	38.963158
"748178"	416.987758	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+K"	38.963158
"1548042"	164.971358	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+K"	38.963158
"309594"	145.993417	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+H+K"	39.970434
"700921"	208.997517	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+H+K"	39.970434
"1458752"	82.989317	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H+K"	39.970434
"247719"	294.050226	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+ACN+H"	42.033826
"1218239"	168.042026	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+ACN+H"	42.033826
"1197746"	84.524651	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+ACN+2H"	43.041102
"202531"	296.98756	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+2Na-H"	44.97116
"643795"	422.99576	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+2Na-H"	44.97116
"1146325"	170.97936	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2Na-H"	44.97116
"187672"	148.997418	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+2Na"	45.978436
"623100"	212.001518	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+2Na"	45.978436
"1126615"	85.993318	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2Na"	45.978436
"1412695"	57.6646373333333	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H+2Na"	46.985712
"1445052"	173.020946	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H+HCOOH"	47.012746
"234137"	154.03044	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+3H2O+2H"	56.04448
"1523986"	187.07299	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+IsoProp+H"	61.06479
"417512"	156.984388	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+Na+K"	61.952376
"779598"	219.988488	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+Na+K"	61.952376
"1674836"	93.980288	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Na+K"	61.952376
"261358"	316.032168	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+ACN+Na"	64.015768
"1236253"	190.023968	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+ACN+Na"	64.015768
"1720765"	190.047493	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+NH4+HCOOH"	64.039293
"1183932"	64.9919513333333	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+3Na"	68.967654
"1660385"	195.002888	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Na+HCOOH"	68.994688
"161778"	328.93544	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+2K-H"	76.91904
"605713"	454.94364	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+2K-H"	76.91904
"1089131"	202.92724	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2K-H"	76.91904
"147042"	164.971358	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"2M+2K"	77.926316
"582954"	227.975458	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"3M+2K"	77.926316
"1079867"	101.967258	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2K"	77.926316
"1111982"	204.941792	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2K+H"	78.933592
"1348367"	205.029407	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+DMSO+H"	79.021207
"1010335"	209.068576	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2ACN+H"	83.060376
"1527368"	210.062208	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+IsoProp+Na+H"	84.054008
"1000377"	105.037926	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+2ACN+2H"	84.067652
"1602657"	210.976828	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+K+HCOOH"	84.968628
"1429852"	241.008338	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+H+CF3COOH"	115.000138
"1156295"	125.551201	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+3ACN+2H"	125.094202
"1701472"	258.034885	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+NH4+CF3COOH"	132.026685
"1642590"	262.99028	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+Na+CF3COOH"	136.98208
"1586992"	278.96422	"C06451"	"2-Hydroxyethylphosphonate;(2-Hydroxyethyl)-phosphonic acid"	"C2H7O4P"	"126.0082"	"M+K+CF3COOH"	152.95602
"807515"	140.0238	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M"	0
"988340"	121.00541	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-H2O-H"	-19.01839
"72573"	92.341924	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M-3H"	-3.021828
"512133"	139.016524	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M-3H"	-3.021828
"889934"	45.667324	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-3H"	-3.021828
"4137"	139.016524	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M-2H"	-2.014552
"441510"	209.028424	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M-2H"	-2.014552
"821502"	69.004624	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-2H"	-2.014552
"80034"	279.040324	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M-H"	-1.007276
"521419"	419.064124	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M-H"	-1.007276
"896544"	139.016524	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-H"	-1.007276
"49585"	296.066871	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M-2H+NH4"	16.019271
"488901"	436.090671	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M-2H+NH4"	16.019271
"864400"	156.043071	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-2H+NH4"	16.019271
"38498"	301.022266	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M-2H+Na"	20.974666
"478060"	441.046066	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M-2H+Na"	20.974666
"855862"	160.998466	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-2H+Na"	20.974666
"1619922"	160.998466	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Na-2H"	20.974666
"96453"	157.004863	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M-H+Cl"	33.962126
"535282"	227.016763	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M-H+Cl"	33.962126
"929162"	86.992963	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-H+Cl"	33.962126
"271004"	315.017002	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+Cl"	34.969402
"664155"	455.040802	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+Cl"	34.969402
"1277289"	174.993202	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Cl"	34.969402
"18750"	316.996206	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M-2H+K"	36.948606
"458671"	457.020006	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M-2H+K"	36.948606
"835377"	176.972406	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-2H+K"	36.948606
"1563977"	176.972406	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+K-2H"	36.948606
"948581"	185.021994	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-H+HCOOH"	44.998194
"364608"	325.045801	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+HCOOH-H"	44.998201
"346544"	339.061451	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+Hac-H"	59.013851
"1495136"	199.037651	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Hac-H"	59.013851
"960856"	207.003951	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-H+NaCOOH"	66.980151
"120338"	174.993202	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+2Cl"	69.938804
"563911"	245.005102	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+2Cl"	69.938804
"1033079"	104.981302	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2Cl"	69.938804
"1251564"	218.942685	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Br"	78.918885
"1312917"	220.998672	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Cl+HCOOH"	80.974872
"1332598"	242.980629	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Cl+NaCOOH"	102.956829
"922565"	253.009386	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M-H+CF3COOH"	112.985586
"1295994"	288.986064	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Cl+CF3COOH"	148.962264
"1375249"	105.011124	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H-2H2O"	-35.012676
"1388372"	123.0211	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H-H2O"	-17.0027
"292434"	281.054876	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+H"	1.007276
"688135"	421.078676	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+H"	1.007276
"1362297"	141.031076	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H"	1.007276
"140861"	141.031076	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+2H"	2.014552
"580993"	211.042976	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+2H"	2.014552
"1051325"	71.019176	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2H"	2.014552
"219926"	94.356476	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+3H"	3.021828
"658665"	141.031076	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+3H"	3.021828
"1178090"	47.681876	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+3H"	3.021828
"439580"	298.081423	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+NH4"	18.033823
"800818"	438.105223	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+NH4"	18.033823
"1696420"	158.057623	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+NH4"	18.033823
"345144"	149.5443495	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+H+NH4"	19.041099
"735914"	219.5562495	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+H+NH4"	19.041099
"1491190"	79.5324495	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H+NH4"	19.041099
"405500"	303.036818	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+Na"	22.989218
"766128"	443.060618	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+Na"	22.989218
"1615686"	163.013018	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Na"	22.989218
"326452"	152.022047	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+H+Na"	23.996494
"714497"	222.033947	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+H+Na"	23.996494
"1465037"	82.010147	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H+Na"	23.996494
"1056097"	55.00919	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2H+Na"	25.00377
"1259961"	173.057286	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+CH3OH+H"	33.033486
"379632"	319.010758	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+K"	38.963158
"739206"	459.034558	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+K"	38.963158
"1540613"	178.986958	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+K"	38.963158
"305330"	160.009017	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+H+K"	39.970434
"698842"	230.020917	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+H+K"	39.970434
"1448651"	89.997117	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H+K"	39.970434
"244546"	322.081426	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+ACN+H"	42.033826
"1212149"	182.057626	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+ACN+H"	42.033826
"1194444"	91.532451	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+ACN+2H"	43.041102
"195105"	325.01876	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+2Na-H"	44.97116
"635759"	465.04256	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+2Na-H"	44.97116
"1136712"	184.99496	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2Na-H"	44.97116
"182555"	163.013018	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+2Na"	45.978436
"621024"	233.024918	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+2Na"	45.978436
"1124538"	93.001118	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2Na"	45.978436
"1412802"	62.336504	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H+2Na"	46.985712
"1445163"	187.036546	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H+HCOOH"	47.012746
"232060"	168.04604	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+3H2O+2H"	56.04448
"1517935"	201.08859	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+IsoProp+H"	61.06479
"416526"	170.999988	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+Na+K"	61.952376
"776427"	241.011888	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+Na+K"	61.952376
"1671665"	100.988088	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Na+K"	61.952376
"260374"	344.063368	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+ACN+Na"	64.015768
"1229803"	204.039568	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+ACN+Na"	64.015768
"1716501"	204.063093	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+NH4+HCOOH"	64.039293
"1180759"	69.663818	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+3Na"	68.967654
"1652840"	209.018488	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Na+HCOOH"	68.994688
"159701"	356.96664	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+2K-H"	76.91904
"598653"	496.99044	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+2K-H"	76.91904
"1087054"	216.94284	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2K-H"	76.91904
"141675"	178.986958	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"2M+2K"	77.926316
"581510"	248.998858	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"3M+2K"	77.926316
"1072320"	108.975058	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2K"	77.926316
"1101396"	218.957392	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2K+H"	78.933592
"1338633"	219.045007	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+DMSO+H"	79.021207
"1007405"	223.084176	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2ACN+H"	83.060376
"1529664"	224.077808	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+IsoProp+Na+H"	84.054008
"995019"	112.045726	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+2ACN+2H"	84.067652
"1591710"	224.992428	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+K+HCOOH"	84.968628
"1422837"	255.023938	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+H+CF3COOH"	115.000138
"1156405"	132.559001	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+3ACN+2H"	125.094202
"1701582"	272.050485	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+NH4+CF3COOH"	132.026685
"1642700"	277.00588	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+Na+CF3COOH"	136.98208
"1580541"	292.97982	"C06452"	"(S)-2-Hydroxypropylphosphonate"	"C3H9O4P"	"140.0238"	"M+K+CF3COOH"	152.95602
"807625"	1343.5878	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M"	0
"987721"	1324.56941	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-H2O-H"	-19.01839
"74870"	894.717924	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M-3H"	-3.021828
"513336"	1342.580524	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M-3H"	-3.021828
"888951"	446.855324	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-3H"	-3.021828
"5340"	1342.580524	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M-2H"	-2.014552
"445996"	2014.374424	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M-2H"	-2.014552
"823798"	670.786624	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-2H"	-2.014552
"79897"	2686.168324	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M-H"	-1.007276
"521166"	4029.756124	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M-H"	-1.007276
"897386"	1342.580524	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-H"	-1.007276
"49938"	2703.194871	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M-2H+NH4"	16.019271
"488160"	4046.782671	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M-2H+NH4"	16.019271
"865712"	1359.607071	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-2H+NH4"	16.019271
"37515"	2708.150266	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M-2H+Na"	20.974666
"474890"	4051.738066	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M-2H+Na"	20.974666
"855972"	1364.562466	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-2H+Na"	20.974666
"1620397"	1364.562466	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Na-2H"	20.974666
"96927"	1360.568863	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M-H+Cl"	33.962126
"537218"	2032.362763	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M-H+Cl"	33.962126
"928907"	688.774963	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-H+Cl"	33.962126
"270021"	2722.145002	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+Cl"	34.969402
"661344"	4065.732802	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+Cl"	34.969402
"1275572"	1378.557202	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Cl"	34.969402
"19955"	2724.124206	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M-2H+K"	36.948606
"458416"	4067.712006	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M-2H+K"	36.948606
"833664"	1380.536406	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-2H+K"	36.948606
"1564087"	1380.536406	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+K-2H"	36.948606
"942804"	1388.585994	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-H+HCOOH"	44.998194
"361621"	2732.173801	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+HCOOH-H"	44.998201
"346289"	2746.189451	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+Hac-H"	59.013851
"1495246"	1402.601651	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Hac-H"	59.013851
"961696"	1410.567951	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-H+NaCOOH"	66.980151
"120448"	1378.557202	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+2Cl"	69.938804
"564387"	2050.351102	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+2Cl"	69.938804
"1032096"	706.763302	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2Cl"	69.938804
"1248393"	1422.506685	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Br"	78.918885
"1315214"	1424.562672	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Cl+HCOOH"	80.974872
"1331615"	1446.544629	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Cl+NaCOOH"	102.956829
"922674"	1456.573386	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M-H+CF3COOH"	112.985586
"1293917"	1492.550064	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Cl+CF3COOH"	148.962264
"1372079"	1308.575124	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H-2H2O"	-35.012676
"1388482"	1326.5851	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H-H2O"	-17.0027
"289261"	2688.182876	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+H"	1.007276
"687880"	4031.770676	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+H"	1.007276
"1362407"	1344.595076	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H"	1.007276
"138946"	1344.595076	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+2H"	2.014552
"577772"	2016.388976	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+2H"	2.014552
"1050588"	672.801176	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2H"	2.014552
"219588"	896.732476	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+3H"	3.021828
"656952"	1344.595076	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+3H"	3.021828
"1176538"	448.869876	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+3H"	3.021828
"439447"	2705.209423	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+NH4"	18.033823
"799348"	4048.797223	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+NH4"	18.033823
"1695313"	1361.621623	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+NH4"	18.033823
"345049"	1353.1083495	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+H+NH4"	19.041099
"735658"	2024.9022495	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+H+NH4"	19.041099
"1490570"	681.3144495	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H+NH4"	19.041099
"405243"	2710.164818	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+Na"	22.989218
"765872"	4053.752618	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+Na"	22.989218
"1615065"	1366.577018	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Na"	22.989218
"323280"	1355.586047	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+H+Na"	23.996494
"707682"	2027.379947	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+H+Na"	23.996494
"1465147"	683.792147	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H+Na"	23.996494
"1055478"	456.19719	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2H+Na"	25.00377
"1259342"	1376.621286	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+CH3OH+H"	33.033486
"379741"	2726.138758	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+K"	38.963158
"739642"	4069.726558	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+K"	38.963158
"1540966"	1382.550958	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+K"	38.963158
"299108"	1363.573017	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+H+K"	39.970434
"695672"	2035.366917	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+H+K"	39.970434
"1448397"	691.779117	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H+K"	39.970434
"241374"	2729.209426	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+ACN+H"	42.033826
"1210919"	1385.621626	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+ACN+H"	42.033826
"1195411"	693.314451	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+ACN+2H"	43.041102
"194122"	2732.14676	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+2Na-H"	44.97116
"640973"	4075.73456	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+2Na-H"	44.97116
"1139374"	1388.55896	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2Na-H"	44.97116
"182668"	1366.577018	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+2Na"	45.978436
"621135"	2038.370918	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+2Na"	45.978436
"1124648"	694.783118	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2Na"	45.978436
"1407080"	463.524504	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H+2Na"	46.985712
"1441382"	1390.600546	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H+HCOOH"	47.012746
"229983"	1371.61004	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+3H2O+2H"	56.04448
"1515858"	1404.65259	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+IsoProp+H"	61.06479
"415543"	1374.563988	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+Na+K"	61.952376
"771433"	2046.357888	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+Na+K"	61.952376
"1667400"	702.770088	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Na+K"	61.952376
"252465"	2751.191368	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+ACN+Na"	64.015768
"1228819"	1407.603568	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+ACN+Na"	64.015768
"1714421"	1407.627093	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+NH4+HCOOH"	64.039293
"1180505"	470.851818	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+3Na"	68.967654
"1651488"	1412.582488	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Na+HCOOH"	68.994688
"159811"	2764.09464	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+2K-H"	76.91904
"598642"	4107.68244	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+2K-H"	76.91904
"1086070"	1420.50684	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2K-H"	76.91904
"141574"	1382.550958	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"2M+2K"	77.926316
"581835"	2054.344858	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"3M+2K"	77.926316
"1074617"	710.757058	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2K"	77.926316
"1105639"	1422.521392	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2K+H"	78.933592
"1342025"	1422.609007	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+DMSO+H"	79.021207
"1011648"	1426.648176	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2ACN+H"	83.060376
"1529775"	1427.641808	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+IsoProp+Na+H"	84.054008
"999504"	713.827726	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+2ACN+2H"	84.067652
"1590727"	1428.556428	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+K+HCOOH"	84.968628
"1422947"	1458.587938	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+H+CF3COOH"	115.000138
"1158702"	734.341001	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+3ACN+2H"	125.094202
"1701692"	1475.614485	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+NH4+CF3COOH"	132.026685
"1642810"	1480.56988	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+Na+CF3COOH"	136.98208
"1580651"	1496.54382	"C06453"	"Methylcobalamin;Methylcob(III)alamin"	"C63H91CoN13O14P"	"1343.5878"	"M+K+CF3COOH"	152.95602
"808828"	138.0082	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M"	0
"986738"	118.98981	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-H2O-H"	-19.01839
"68418"	90.9981906666666	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M-3H"	-3.021828
"506885"	137.000924	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M-3H"	-3.021828
"884687"	44.9954573333333	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-3H"	-3.021828
"4355"	137.000924	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M-2H"	-2.014552
"445013"	206.005024	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M-2H"	-2.014552
"822815"	67.996824	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-2H"	-2.014552
"79400"	275.009124	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M-H"	-1.007276
"522368"	413.017324	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M-H"	-1.007276
"897982"	137.000924	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-H"	-1.007276
"50171"	292.035671	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M-2H+NH4"	16.019271
"487906"	430.043871	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M-2H+NH4"	16.019271
"864732"	154.027471	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-2H+NH4"	16.019271
"37625"	296.991066	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M-2H+Na"	20.974666
"477186"	434.999266	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M-2H+Na"	20.974666
"856082"	158.982866	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-2H+Na"	20.974666
"1620991"	158.982866	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Na-2H"	20.974666
"96672"	154.989263	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M-H+Cl"	33.962126
"537328"	223.993363	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M-H+Cl"	33.962126
"930474"	85.985163	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-H+Cl"	33.962126
"270495"	310.985802	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+Cl"	34.969402
"661209"	448.994002	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+Cl"	34.969402
"1275319"	172.977602	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Cl"	34.969402
"20065"	312.965006	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M-2H+K"	36.948606
"457555"	450.973206	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M-2H+K"	36.948606
"834138"	174.956806	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-2H+K"	36.948606
"1564197"	174.956806	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+K-2H"	36.948606
"944791"	183.006394	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-H+HCOOH"	44.998194
"362032"	321.014601	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+HCOOH-H"	44.998201
"345795"	335.030251	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+Hac-H"	59.013851
"1492772"	197.022051	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Hac-H"	59.013851
"960710"	204.988351	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-H+NaCOOH"	66.980151
"117278"	172.977602	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+2Cl"	69.938804
"564009"	241.981702	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+2Cl"	69.938804
"1031111"	103.973502	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2Cl"	69.938804
"1245223"	216.927085	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Br"	78.918885
"1310950"	218.983072	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Cl+HCOOH"	80.974872
"1328445"	240.965029	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Cl+NaCOOH"	102.956829
"921690"	250.993786	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M-H+CF3COOH"	112.985586
"1295120"	286.970464	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Cl+CF3COOH"	148.962264
"1373282"	102.995524	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H-2H2O"	-35.012676
"1389685"	121.0055	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H-H2O"	-17.0027
"292652"	277.023676	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+H"	1.007276
"688356"	415.031876	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+H"	1.007276
"1362153"	139.015476	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H"	1.007276
"140517"	139.015476	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+2H"	2.014552
"581050"	208.019576	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+2H"	2.014552
"1052523"	70.011376	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2H"	2.014552
"219950"	93.0127426666667	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+3H"	3.021828
"658522"	139.015476	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+3H"	3.021828
"1178460"	47.0100093333333	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+3H"	3.021828
"439558"	294.050223	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+NH4"	18.033823
"801038"	432.058423	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+NH4"	18.033823
"1696848"	156.042023	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+NH4"	18.033823
"345633"	147.5287495	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+H+NH4"	19.041099
"737223"	216.5328495	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+H+NH4"	19.041099
"1491044"	78.5246495	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H+NH4"	19.041099
"406444"	299.005618	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+Na"	22.989218
"769262"	437.013818	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+Na"	22.989218
"1614443"	160.997418	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Na"	22.989218
"323390"	150.006447	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+H+Na"	23.996494
"707914"	219.010547	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+H+Na"	23.996494
"1465257"	81.002347	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H+Na"	23.996494
"1055224"	54.3373233333333	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2H+Na"	25.00377
"1263460"	171.041686	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+CH3OH+H"	33.033486
"381309"	314.979558	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+K"	38.963158
"742303"	452.987758	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+K"	38.963158
"1543263"	176.971358	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+K"	38.963158
"299465"	157.993417	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+H+K"	39.970434
"696147"	226.997517	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+H+K"	39.970434
"1448871"	88.989317	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H+K"	39.970434
"240756"	318.050226	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+ACN+H"	42.033826
"1211516"	180.042026	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+ACN+H"	42.033826
"1196615"	90.524651	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+ACN+2H"	43.041102
"193503"	320.98756	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+2Na-H"	44.97116
"640354"	458.99576	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+2Na-H"	44.97116
"1139119"	182.97936	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2Na-H"	44.97116
"183506"	160.997418	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+2Na"	45.978436
"624162"	230.001518	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+2Na"	45.978436
"1124758"	91.993318	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2Na"	45.978436
"1410470"	61.6646373333333	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H+2Na"	46.985712
"1440399"	185.020946	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H+HCOOH"	47.012746
"226813"	166.03044	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+3H2O+2H"	56.04448
"1514874"	199.07299	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+IsoProp+H"	61.06479
"413466"	168.984388	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+Na+K"	61.952376
"776646"	237.988488	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+Na+K"	61.952376
"1667507"	99.980288	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Na+K"	61.952376
"253303"	340.032168	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+ACN+Na"	64.015768
"1228200"	202.023968	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+ACN+Na"	64.015768
"1715261"	202.047493	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+NH4+HCOOH"	64.039293
"1180248"	68.9919513333333	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+3Na"	68.967654
"1650627"	207.002888	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Na+HCOOH"	68.994688
"157975"	352.93544	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+2K-H"	76.91904
"600938"	490.94364	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+2K-H"	76.91904
"1086057"	214.92724	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2K-H"	76.91904
"142014"	176.971358	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"2M+2K"	77.926316
"582310"	245.975458	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"3M+2K"	77.926316
"1072540"	107.967258	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2K"	77.926316
"1104654"	216.941792	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2K+H"	78.933592
"1338852"	217.029407	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+DMSO+H"	79.021207
"1012851"	221.068576	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2ACN+H"	83.060376
"1530977"	222.062208	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+IsoProp+Na+H"	84.054008
"993053"	111.037926	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+2ACN+2H"	84.067652
"1590837"	222.976828	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+K+HCOOH"	84.968628
"1416131"	253.008338	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+H+CF3COOH"	115.000138
"1158812"	131.551201	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+3ACN+2H"	125.094202
"1701802"	270.034885	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+NH4+CF3COOH"	132.026685
"1642920"	274.99028	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+Na+CF3COOH"	136.98208
"1580761"	290.96422	"C06454"	"Fosfomycin;Phosphonomycin;(1R2S)-Epoxypropylphosphonate"	"C3H7O4P"	"138.0082"	"M+K+CF3COOH"	152.95602
"814046"	111.9925	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M"	0
"980287"	92.97411	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-H2O-H"	-19.01839
"65248"	73.6543906666667	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M-3H"	-3.021828
"504808"	110.985224	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M-3H"	-3.021828
"881516"	36.3235573333333	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-3H"	-3.021828
"3372"	110.985224	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M-2H"	-2.014552
"446218"	166.981474	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M-2H"	-2.014552
"820738"	54.988974	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-2H"	-2.014552
"81821"	222.977724	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M-H"	-1.007276
"520288"	334.970224	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M-H"	-1.007276
"902463"	110.985224	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-H"	-1.007276
"48460"	240.004271	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M-2H+NH4"	16.019271
"488261"	351.996771	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M-2H+NH4"	16.019271
"866183"	128.011771	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-2H+NH4"	16.019271
"37735"	244.959666	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M-2H+Na"	20.974666
"477296"	356.952166	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M-2H+Na"	20.974666
"857285"	132.967166	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-2H+Na"	20.974666
"1624631"	132.967166	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Na-2H"	20.974666
"102254"	128.973563	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M-H+Cl"	33.962126
"536706"	184.969813	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M-H+Cl"	33.962126
"928769"	72.977313	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-H+Cl"	33.962126
"269509"	258.954402	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+Cl"	34.969402
"662291"	370.946902	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+Cl"	34.969402
"1275059"	146.961902	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Cl"	34.969402
"17618"	260.933606	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M-2H+K"	36.948606
"459733"	372.926106	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M-2H+K"	36.948606
"833883"	148.941106	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-2H+K"	36.948606
"1556760"	148.941106	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+K-2H"	36.948606
"943687"	156.990694	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-H+HCOOH"	44.998194
"363846"	268.983201	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+HCOOH-H"	44.998201
"348822"	282.998851	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+Hac-H"	59.013851
"1493276"	171.006351	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Hac-H"	59.013851
"960821"	178.972651	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-H+NaCOOH"	66.980151
"125299"	146.961902	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+2Cl"	69.938804
"565337"	202.958152	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+2Cl"	69.938804
"1027941"	90.965652	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2Cl"	69.938804
"1247518"	190.911385	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Br"	78.918885
"1311060"	192.967372	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Cl+HCOOH"	80.974872
"1326369"	214.949329	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Cl+NaCOOH"	102.956829
"920710"	224.978086	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M-H+CF3COOH"	112.985586
"1293044"	260.954764	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Cl+CF3COOH"	148.962264
"1369380"	76.979824	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H-2H2O"	-35.012676
"1383234"	94.9898	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H-H2O"	-17.0027
"295315"	224.992276	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+H"	1.007276
"688104"	336.984776	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+H"	1.007276
"1364457"	112.999776	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H"	1.007276
"138439"	112.999776	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+2H"	2.014552
"578729"	168.996026	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+2H"	2.014552
"1051539"	57.003526	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2H"	2.014552
"217979"	75.6689426666667	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+3H"	3.021828
"658756"	112.999776	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+3H"	3.021828
"1177975"	38.3381093333333	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+3H"	3.021828
"439467"	242.018823	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+NH4"	18.033823
"793733"	354.011323	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+NH4"	18.033823
"1688970"	130.026323	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+NH4"	18.033823
"336156"	121.5130495	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+H+NH4"	19.041099
"734052"	177.5092995	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+H+NH4"	19.041099
"1491154"	65.5167995	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H+NH4"	19.041099
"407283"	246.974218	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+Na"	22.989218
"763178"	358.966718	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+Na"	22.989218
"1607996"	134.981718	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Na"	22.989218
"323500"	123.990747	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+H+Na"	23.996494
"710454"	179.986997	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+H+Na"	23.996494
"1467554"	67.994497	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H+Na"	23.996494
"1058612"	45.6654233333333	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2H+Na"	25.00377
"1260654"	145.025986	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+CH3OH+H"	33.033486
"380691"	262.948158	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+K"	38.963158
"747516"	374.940658	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+K"	38.963158
"1546288"	150.955658	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+K"	38.963158
"304557"	131.977717	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+H+K"	39.970434
"697350"	187.973967	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+H+K"	39.970434
"1447889"	75.981467	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H+K"	39.970434
"242325"	266.018826	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+ACN+H"	42.033826
"1214667"	154.026326	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+ACN+H"	42.033826
"1199645"	77.516801	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+ACN+2H"	43.041102
"193247"	268.95616	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+2Na-H"	44.97116
"638277"	380.94866	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+2Na-H"	44.97116
"1142878"	156.96366	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2Na-H"	44.97116
"182888"	134.981718	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+2Na"	45.978436
"624636"	190.977968	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+2Na"	45.978436
"1125961"	78.985468	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2Na"	45.978436
"1407299"	52.9927373333333	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H+2Na"	46.985712
"1439414"	159.005246	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H+HCOOH"	47.012746
"224736"	140.01474	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+3H2O+2H"	56.04448
"1513892"	173.05729	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+IsoProp+H"	61.06479
"414670"	142.968688	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+Na+K"	61.952376
"773478"	198.964938	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+Na+K"	61.952376
"1665914"	86.972438	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Na+K"	61.952376
"253414"	288.000768	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+ACN+Na"	64.015768
"1226851"	176.008268	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+ACN+Na"	64.015768
"1713668"	176.031793	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+NH4+HCOOH"	64.039293
"1179264"	60.3200513333333	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+3Na"	68.967654
"1655357"	180.987188	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Na+HCOOH"	68.994688
"159422"	300.90404	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+2K-H"	76.91904
"601776"	412.89654	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+2K-H"	76.91904
"1085314"	188.91154	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2K-H"	76.91904
"141641"	150.955658	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"2M+2K"	77.926316
"584855"	206.951908	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"3M+2K"	77.926316
"1075930"	94.959408	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2K"	77.926316
"1109139"	190.926092	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2K+H"	78.933592
"1344433"	191.013707	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+DMSO+H"	79.021207
"1012963"	195.052876	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2ACN+H"	83.060376
"1533277"	196.046508	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+IsoProp+Na+H"	84.054008
"1001912"	98.030076	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+2ACN+2H"	84.067652
"1592041"	196.961128	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+K+HCOOH"	84.968628
"1417699"	226.992638	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+H+CF3COOH"	115.000138
"1157828"	118.543351	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+3ACN+2H"	125.094202
"1701912"	244.019185	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+NH4+CF3COOH"	132.026685
"1638658"	248.97458	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+Na+CF3COOH"	136.98208
"1580871"	264.94852	"C06455"	"Hydroxymethylphosphonate;P-(Hydroxymethyl)-phosphonic acid"	"CH5O4P"	"111.9925"	"M+K+CF3COOH"	152.95602
"807955"	125.9718	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M"	0
"983677"	106.95341	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-H2O-H"	-19.01839
"67545"	82.973924	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M-3H"	-3.021828
"503825"	124.964524	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M-3H"	-3.021828
"881626"	40.983324	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-3H"	-3.021828
"3482"	124.964524	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M-2H"	-2.014552
"443048"	187.950424	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M-2H"	-2.014552
"823035"	61.978624	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-2H"	-2.014552
"81931"	250.936324	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M-H"	-1.007276
"523679"	376.908124	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M-H"	-1.007276
"902573"	124.964524	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-H"	-1.007276
"49659"	267.962871	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M-2H+NH4"	16.019271
"492134"	393.934671	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M-2H+NH4"	16.019271
"865928"	141.991071	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-2H+NH4"	16.019271
"31678"	272.918266	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M-2H+Na"	20.974666
"476676"	398.890066	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M-2H+Na"	20.974666
"851925"	146.946466	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-2H+Na"	20.974666
"1623648"	146.946466	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Na-2H"	20.974666
"103457"	142.952863	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M-H+Cl"	33.962126
"536818"	205.938763	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M-H+Cl"	33.962126
"929243"	79.966963	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-H+Cl"	33.962126
"268524"	286.913002	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+Cl"	34.969402
"660944"	412.884802	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+Cl"	34.969402
"1274803"	160.941202	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Cl"	34.969402
"16635"	288.892206	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M-2H+K"	36.948606
"455698"	414.864006	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M-2H+K"	36.948606
"833630"	162.920406	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-2H+K"	36.948606
"1556508"	162.920406	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+K-2H"	36.948606
"943555"	170.969994	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-H+HCOOH"	44.998194
"361805"	296.941801	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+HCOOH-H"	44.998201
"346866"	310.957451	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+Hac-H"	59.013851
"1492760"	184.985651	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Hac-H"	59.013851
"960202"	192.951951	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-H+NaCOOH"	66.980151
"123945"	160.941202	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+2Cl"	69.938804
"564962"	223.927102	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+2Cl"	69.938804
"1028051"	97.955302	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2Cl"	69.938804
"1248722"	204.890685	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Br"	78.918885
"1310076"	206.946672	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Cl+HCOOH"	80.974872
"1326479"	228.928629	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Cl+NaCOOH"	102.956829
"913164"	238.957386	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M-H+CF3COOH"	112.985586
"1293154"	274.934064	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Cl+CF3COOH"	148.962264
"1369127"	90.959124	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H-2H2O"	-35.012676
"1386624"	108.9691	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H-H2O"	-17.0027
"295060"	252.950876	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+H"	1.007276
"688943"	378.922676	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+H"	1.007276
"1365660"	126.979076	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H"	1.007276
"138913"	126.979076	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+2H"	2.014552
"578472"	189.964976	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+2H"	2.014552
"1051285"	63.993176	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2H"	2.014552
"216629"	84.988476	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+3H"	3.021828
"655822"	126.979076	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+3H"	3.021828
"1175042"	42.997876	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+3H"	3.021828
"437952"	269.977423	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+NH4"	18.033823
"790563"	395.949223	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+NH4"	18.033823
"1687986"	144.005623	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+NH4"	18.033823
"335173"	135.4923495	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+H+NH4"	19.041099
"734160"	198.4782495	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+H+NH4"	19.041099
"1486889"	72.5064495	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H+NH4"	19.041099
"403381"	274.932818	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+Na"	22.989218
"758913"	400.904618	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+Na"	22.989218
"1605919"	148.961018	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Na"	22.989218
"319235"	137.970047	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+H+Na"	23.996494
"712752"	200.955947	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+H+Na"	23.996494
"1466571"	74.984147	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H+Na"	23.996494
"1056535"	50.32519	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2H+Na"	25.00377
"1260764"	159.005286	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+CH3OH+H"	33.033486
"381165"	290.906758	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+K"	38.963158
"744345"	416.878558	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+K"	38.963158
"1545304"	164.934958	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+K"	38.963158
"299564"	145.957017	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+H+K"	39.970434
"692715"	208.942917	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+H+K"	39.970434
"1448363"	82.971117	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H+K"	39.970434
"240975"	293.977426	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+ACN+H"	42.033826
"1213684"	168.005626	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+ACN+H"	42.033826
"1199391"	84.506451	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+ACN+2H"	43.041102
"193358"	296.91476	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+2Na-H"	44.97116
"639480"	422.88656	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+2Na-H"	44.97116
"1137522"	170.94296	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2Na-H"	44.97116
"179717"	148.961018	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+2Na"	45.978436
"621464"	211.946918	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+2Na"	45.978436
"1122789"	85.975118	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2Na"	45.978436
"1401940"	57.652504	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H+2Na"	46.985712
"1437336"	172.984546	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H+HCOOH"	47.012746
"224844"	153.99404	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+3H2O+2H"	56.04448
"1514001"	187.03659	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+IsoProp+H"	61.06479
"409433"	156.947988	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+Na+K"	61.952376
"770426"	219.933888	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+Na+K"	61.952376
"1666632"	93.962088	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Na+K"	61.952376
"253888"	315.959368	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+ACN+Na"	64.015768
"1225986"	189.987568	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+ACN+Na"	64.015768
"1714751"	190.011093	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+NH4+HCOOH"	64.039293
"1180831"	64.979818	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+3Na"	68.967654
"1652186"	194.966488	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Na+HCOOH"	68.994688
"159775"	328.86264	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+2K-H"	76.91904
"598970"	454.83444	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+2K-H"	76.91904
"1084279"	202.89084	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2K-H"	76.91904
"141628"	164.934958	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"2M+2K"	77.926316
"584965"	227.920858	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"3M+2K"	77.926316
"1077133"	101.949058	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2K"	77.926316
"1111436"	204.905392	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2K+H"	78.933592
"1346730"	204.993007	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+DMSO+H"	79.021207
"1016353"	209.032176	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2ACN+H"	83.060376
"1532289"	210.025808	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+IsoProp+Na+H"	84.054008
"1003115"	105.019726	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+2ACN+2H"	84.067652
"1594337"	210.940428	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+K+HCOOH"	84.968628
"1419996"	240.971938	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+H+CF3COOH"	115.000138
"1156845"	125.533001	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+3ACN+2H"	125.094202
"1702022"	257.998485	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+NH4+CF3COOH"	132.026685
"1637675"	262.95388	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+Na+CF3COOH"	136.98208
"1580981"	278.92782	"C06456"	"Phosphonoformate;Foscarmet;Foscarnet"	"CH3O5P"	"125.9718"	"M+K+CF3COOH"	152.95602
"808065"	323.1246	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M"	0
"982693"	304.10621	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-H2O-H"	-19.01839
"70935"	214.409124	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M-3H"	-3.021828
"508308"	322.117324	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M-3H"	-3.021828
"887202"	106.700924	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-3H"	-3.021828
"5778"	322.117324	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M-2H"	-2.014552
"444252"	483.679624	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M-2H"	-2.014552
"825331"	160.555024	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-2H"	-2.014552
"83135"	645.241924	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M-H"	-1.007276
"524883"	968.366524	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M-H"	-1.007276
"904870"	322.117324	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-H"	-1.007276
"54508"	662.268471	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M-2H+NH4"	16.019271
"494797"	985.393071	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M-2H+NH4"	16.019271
"868955"	339.143871	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-2H+NH4"	16.019271
"36126"	667.223866	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M-2H+Na"	20.974666
"477149"	990.348466	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M-2H+Na"	20.974666
"850574"	344.099266	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-2H+Na"	20.974666
"1622295"	344.099266	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Na-2H"	20.974666
"103567"	340.105663	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M-H+Cl"	33.962126
"536928"	501.667963	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M-H+Cl"	33.962126
"930810"	178.543363	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-H+Cl"	33.962126
"269365"	681.218602	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+Cl"	34.969402
"661540"	1004.343202	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+Cl"	34.969402
"1274915"	358.094002	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Cl"	34.969402
"17841"	683.197806	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M-2H+K"	36.948606
"457403"	1006.322406	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M-2H+K"	36.948606
"833416"	360.073206	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-2H+K"	36.948606
"1557229"	360.073206	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+K-2H"	36.948606
"945851"	368.122794	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-H+HCOOH"	44.998194
"364064"	691.247401	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+HCOOH-H"	44.998201
"346246"	705.263051	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+Hac-H"	59.013851
"1493045"	382.138451	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Hac-H"	59.013851
"959948"	390.104751	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-H+NaCOOH"	66.980151
"124907"	358.094002	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+2Cl"	69.938804
"565032"	519.656302	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+2Cl"	69.938804
"1029256"	196.531702	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2Cl"	69.938804
"1246646"	402.043485	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Br"	78.918885
"1307999"	404.099472	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Cl+HCOOH"	80.974872
"1328777"	426.081429	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Cl+NaCOOH"	102.956829
"916555"	436.110186	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M-H+CF3COOH"	112.985586
"1291442"	472.086864	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Cl+CF3COOH"	148.962264
"1373612"	288.111924	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H-2H2O"	-35.012676
"1388921"	306.1219	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H-H2O"	-17.0027
"296263"	647.256476	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+H"	1.007276
"685405"	970.381076	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+H"	1.007276
"1366128"	324.131876	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H"	1.007276
"138659"	324.131876	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+2H"	2.014552
"578946"	485.694176	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+2H"	2.014552
"1050423"	162.569576	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2H"	2.014552
"218195"	216.423676	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+3H"	3.021828
"657759"	324.131876	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+3H"	3.021828
"1176980"	108.715476	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+3H"	3.021828
"438796"	664.283023	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+NH4"	18.033823
"795046"	987.407623	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+NH4"	18.033823
"1692469"	341.158423	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+NH4"	18.033823
"338562"	332.6451495	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+H+NH4"	19.041099
"732083"	494.2074495	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+H+NH4"	19.041099
"1481531"	171.0828495	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H+NH4"	19.041099
"400210"	669.238418	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+Na"	22.989218
"760116"	992.363018	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+Na"	22.989218
"1608214"	346.113818	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Na"	22.989218
"320438"	335.122847	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+H+Na"	23.996494
"710675"	496.685147	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+H+Na"	23.996494
"1467773"	173.560547	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H+Na"	23.996494
"1057738"	116.04279	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2H+Na"	25.00377
"1257958"	356.158086	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+CH3OH+H"	33.033486
"378723"	685.212358	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+K"	38.963158
"745549"	1008.336958	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+K"	38.963158
"1543227"	362.087758	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+K"	38.963158
"301498"	343.109817	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+H+K"	39.970434
"693189"	504.672117	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+H+K"	39.970434
"1447015"	181.547517	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H+K"	39.970434
"237439"	688.283026	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+ACN+H"	42.033826
"1210343"	365.158426	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+ACN+H"	42.033826
"1195489"	183.082851	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+ACN+2H"	43.041102
"193833"	691.22036	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+2Na-H"	44.97116
"638497"	1014.34496	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+2Na-H"	44.97116
"1142733"	368.09576	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2Na-H"	44.97116
"184201"	346.113818	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+2Na"	45.978436
"622668"	507.676118	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+2Na"	45.978436
"1121805"	184.551518	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2Na"	45.978436
"1402051"	123.370104	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H+2Na"	46.985712
"1431977"	370.137346	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H+HCOOH"	47.012746
"222401"	351.14684	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+3H2O+2H"	56.04448
"1514110"	384.18939	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+IsoProp+H"	61.06479
"409543"	354.100788	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+Na+K"	61.952376
"772605"	515.663088	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+Na+K"	61.952376
"1667476"	192.538488	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Na+K"	61.952376
"251687"	710.264968	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+ACN+Na"	64.015768
"1226340"	387.140368	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+ACN+Na"	64.015768
"1714860"	387.163893	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+NH4+HCOOH"	64.039293
"1180213"	130.697418	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+3Na"	68.967654
"1652661"	392.119288	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Na+HCOOH"	68.994688
"159521"	723.16824	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+2K-H"	76.91904
"600902"	1046.29284	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+2K-H"	76.91904
"1084680"	400.04364	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2K-H"	76.91904
"141744"	362.087758	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"2M+2K"	77.926316
"585439"	523.650058	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"3M+2K"	77.926316
"1075057"	200.525458	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2K"	77.926316
"1107174"	402.058192	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2K+H"	78.933592
"1342468"	402.145807	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+DMSO+H"	79.021207
"1015370"	406.184976	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2ACN+H"	83.060376
"1531306"	407.178608	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+IsoProp+Na+H"	84.054008
"1004318"	203.596126	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+2ACN+2H"	84.067652
"1593354"	408.093228	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+K+HCOOH"	84.968628
"1420106"	438.124738	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+H+CF3COOH"	115.000138
"1154768"	224.109401	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+3ACN+2H"	125.094202
"1697757"	455.151285	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+NH4+CF3COOH"	132.026685
"1636692"	460.10668	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+Na+CF3COOH"	136.98208
"1581091"	476.08062	"C06457"	"Bialaphos;Bilanafos;2-Amino-4-(methylphosphino)butyrylalanylalanine;gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine;Phosphinothricin tripeptide"	"C11H22N3O6P"	"323.1246"	"M+K+CF3COOH"	152.95602
"808175"	168.079	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M"	0
"986085"	149.06061	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-H2O-H"	-19.01839
"69953"	111.045390666667	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M-3H"	-3.021828
"506232"	167.071724	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M-3H"	-3.021828
"881966"	55.0190573333333	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-3H"	-3.021828
"2609"	167.071724	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M-2H"	-2.014552
"449829"	251.111224	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M-2H"	-2.014552
"824347"	83.032224	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-2H"	-2.014552
"85433"	335.150724	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M-H"	-1.007276
"524992"	503.229724	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M-H"	-1.007276
"901700"	167.071724	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-H"	-1.007276
"52431"	352.177271	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M-2H+NH4"	16.019271
"494907"	520.256271	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M-2H+NH4"	16.019271
"867608"	184.098271	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-2H+NH4"	16.019271
"35143"	357.132666	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M-2H+Na"	20.974666
"478352"	525.211666	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M-2H+Na"	20.974666
"851777"	189.053666	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-2H+Na"	20.974666
"1622404"	189.053666	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Na-2H"	20.974666
"96018"	185.060063	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M-H+Cl"	33.962126
"537036"	269.099563	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M-H+Cl"	33.962126
"929463"	101.020563	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-H+Cl"	33.962126
"269111"	371.127402	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+Cl"	34.969402
"661895"	539.206402	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+Cl"	34.969402
"1274174"	203.048402	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Cl"	34.969402
"17581"	373.106606	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M-2H+K"	36.948606
"457873"	541.185606	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M-2H+K"	36.948606
"833850"	205.027606	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-2H+K"	36.948606
"1556486"	205.027606	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+K-2H"	36.948606
"945961"	213.077194	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-H+HCOOH"	44.998194
"367455"	381.156201	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+HCOOH-H"	44.998201
"348058"	395.171851	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+Hac-H"	59.013851
"1493486"	227.092851	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Hac-H"	59.013851
"959204"	235.059151	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-H+NaCOOH"	66.980151
"125544"	203.048402	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+2Cl"	69.938804
"564695"	287.087902	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+2Cl"	69.938804
"1024993"	119.008902	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2Cl"	69.938804
"1246756"	246.997885	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Br"	78.918885
"1313577"	249.053872	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Cl+HCOOH"	80.974872
"1332167"	271.035829	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Cl+NaCOOH"	102.956829
"918852"	281.064586	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M-H+CF3COOH"	112.985586
"1294470"	317.041264	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Cl+CF3COOH"	148.962264
"1375911"	133.066324	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H-2H2O"	-35.012676
"1389032"	151.0763	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H-H2O"	-17.0027
"296373"	337.165276	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+H"	1.007276
"688798"	505.244276	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+H"	1.007276
"1365150"	169.086276	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H"	1.007276
"139136"	169.086276	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+2H"	2.014552
"575412"	253.125776	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+2H"	2.014552
"1047491"	85.046776	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2H"	2.014552
"217213"	113.059942666667	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+3H"	3.021828
"651670"	169.086276	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+3H"	3.021828
"1176361"	57.0336093333333	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+3H"	3.021828
"439264"	354.191823	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+NH4"	18.033823
"792969"	522.270823	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+NH4"	18.033823
"1687116"	186.112823	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+NH4"	18.033823
"335392"	177.5995495	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+H+NH4"	19.041099
"732194"	261.6390495	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+H+NH4"	19.041099
"1481641"	93.5600495	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H+NH4"	19.041099
"403602"	359.147218	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+Na"	22.989218
"756948"	527.226218	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+Na"	22.989218
"1611605"	191.068218	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Na"	22.989218
"319456"	180.077247	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+H+Na"	23.996494
"714062"	264.116747	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+H+Na"	23.996494
"1467881"	96.037747	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H+Na"	23.996494
"1058212"	64.3609233333333	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2H+Na"	25.00377
"1257577"	201.112486	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+CH3OH+H"	33.033486
"380656"	375.121158	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+K"	38.963158
"744566"	543.200158	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+K"	38.963158
"1542972"	207.042158	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+K"	38.963158
"303067"	188.064217	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+H+K"	39.970434
"694400"	272.103717	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+H+K"	39.970434
"1447490"	104.024717	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H+K"	39.970434
"240102"	378.191826	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+ACN+H"	42.033826
"1213541"	210.112826	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+ACN+H"	42.033826
"1201802"	105.560051	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+ACN+2H"	43.041102
"191392"	381.12916	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+2Na-H"	44.97116
"630949"	549.20816	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+2Na-H"	44.97116
"1143207"	213.05016	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2Na-H"	44.97116
"183218"	191.068218	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+2Na"	45.978436
"613664"	275.107718	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+2Na"	45.978436
"1121915"	107.028718	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2Na"	45.978436
"1402159"	71.6882373333333	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H+2Na"	46.985712
"1434274"	215.091746	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H+HCOOH"	47.012746
"220364"	196.10124	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+3H2O+2H"	56.04448
"1508872"	229.14379	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+IsoProp+H"	61.06479
"408603"	199.055188	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+Na+K"	61.952376
"770238"	283.094688	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+Na+K"	61.952376
"1666371"	115.015688	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Na+K"	61.952376
"251713"	400.173768	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+ACN+Na"	64.015768
"1226451"	232.094768	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+ACN+Na"	64.015768
"1712975"	232.118293	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+NH4+HCOOH"	64.039293
"1179351"	79.0155513333333	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+3Na"	68.967654
"1651312"	237.073688	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Na+HCOOH"	68.994688
"160361"	413.07704	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+2K-H"	76.91904
"597488"	581.15604	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+2K-H"	76.91904
"1086622"	244.99804	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2K-H"	76.91904
"143439"	207.042158	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"2M+2K"	77.926316
"585185"	291.081658	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"3M+2K"	77.926316
"1078450"	123.002658	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2K"	77.926316
"1110566"	247.012592	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2K+H"	78.933592
"1345858"	247.100207	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+DMSO+H"	79.021207
"1015479"	251.139376	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2ACN+H"	83.060376
"1532512"	252.133008	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+IsoProp+Na+H"	84.054008
"1001148"	126.073326	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+2ACN+2H"	84.067652
"1593464"	253.047628	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+K+HCOOH"	84.968628
"1421311"	283.079138	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+H+CF3COOH"	115.000138
"1151599"	146.586601	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+3ACN+2H"	125.094202
"1703338"	300.105685	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+NH4+CF3COOH"	132.026685
"1643364"	305.06108	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+Na+CF3COOH"	136.98208
"1577921"	321.03502	"C06459"	"N-Trimethyl-2-aminoethylphosphonate;2-Trimethylaminoethylphosphonate"	"C5H15NO3P"	"168.079"	"M+K+CF3COOH"	152.95602
"808286"	568.2818	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M"	0
"984009"	549.26341	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-H2O-H"	-19.01839
"72251"	377.847257333333	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M-3H"	-3.021828
"508530"	567.274524	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M-3H"	-3.021828
"891800"	188.419990666667	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-3H"	-3.021828
"15243"	567.274524	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M-2H"	-2.014552
"449936"	851.415424	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M-2H"	-2.014552
"824459"	283.133624	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-2H"	-2.014552
"84449"	1135.556324	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M-H"	-1.007276
"522916"	1703.838124	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M-H"	-1.007276
"905094"	567.274524	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-H"	-1.007276
"52907"	1152.582871	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M-2H+NH4"	16.019271
"493195"	1720.864671	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M-2H+NH4"	16.019271
"867353"	584.301071	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-2H+NH4"	16.019271
"40362"	1157.538266	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M-2H+Na"	20.974666
"479191"	1725.820066	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M-2H+Na"	20.974666
"852982"	589.256466	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-2H+Na"	20.974666
"1623608"	589.256466	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Na-2H"	20.974666
"99772"	585.262863	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M-H+Cl"	33.962126
"541156"	869.403763	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M-H+Cl"	33.962126
"933213"	301.121963	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-H+Cl"	33.962126
"269947"	1171.533002	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+Cl"	34.969402
"663100"	1739.814802	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+Cl"	34.969402
"1276957"	603.251202	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Cl"	34.969402
"18420"	1173.512206	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M-2H+K"	36.948606
"459081"	1741.794006	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M-2H+K"	36.948606
"840164"	605.230406	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-2H+K"	36.948606
"1562562"	605.230406	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+K-2H"	36.948606
"952630"	613.279994	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-H+HCOOH"	44.998194
"363554"	1181.561801	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+HCOOH-H"	44.998201
"353637"	1195.577451	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+Hac-H"	59.013851
"1495907"	627.295651	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Hac-H"	59.013851
"967824"	635.261951	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-H+NaCOOH"	66.980151
"118920"	603.251202	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+2Cl"	69.938804
"563948"	887.392102	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+2Cl"	69.938804
"1029474"	319.110302	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2Cl"	69.938804
"1249053"	647.200685	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Br"	78.918885
"1314782"	649.256672	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Cl+HCOOH"	80.974872
"1331186"	671.238629	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Cl+NaCOOH"	102.956829
"922245"	681.267386	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M-H+CF3COOH"	112.985586
"1296766"	717.244064	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Cl+CF3COOH"	148.962264
"1377113"	533.269124	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H-2H2O"	-35.012676
"1397162"	551.2791	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H-H2O"	-17.0027
"297583"	1137.570876	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+H"	1.007276
"690005"	1705.852676	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+H"	1.007276
"1364896"	569.289076	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H"	1.007276
"138877"	569.289076	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+2H"	2.014552
"578074"	853.429976	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+2H"	2.014552
"1043228"	285.148176	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2H"	2.014552
"212222"	379.861809333333	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+3H"	3.021828
"653968"	569.289076	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+3H"	3.021828
"1175737"	190.434542666667	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+3H"	3.021828
"433176"	1154.597423	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+NH4"	18.033823
"795268"	1722.879223	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+NH4"	18.033823
"1691599"	586.315623	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+NH4"	18.033823
"343530"	577.8023495	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+H+NH4"	19.041099
"734494"	861.9432495	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+H+NH4"	19.041099
"1487221"	293.6614495	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H+NH4"	19.041099
"395330"	1159.552818	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+Na"	22.989218
"757058"	1727.834618	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+Na"	22.989218
"1605519"	591.271018	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Na"	22.989218
"319566"	580.280047	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+H+Na"	23.996494
"715266"	864.420947	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+H+Na"	23.996494
"1464717"	296.139147	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H+Na"	23.996494
"1060148"	197.761856666667	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2H+Na"	25.00377
"1261829"	601.315286	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+CH3OH+H"	33.033486
"381495"	1175.526758	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+K"	38.963158
"742491"	1743.808558	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+K"	38.963158
"1540903"	607.244958	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+K"	38.963158
"299537"	588.267017	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+H+K"	39.970434
"693417"	872.407917	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+H+K"	39.970434
"1454529"	304.126117	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H+K"	39.970434
"245320"	1178.597426	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+ACN+H"	42.033826
"1222402"	610.315626	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+ACN+H"	42.033826
"1205192"	305.661451	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+ACN+2H"	43.041102
"193688"	1181.53476	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+2Na-H"	44.97116
"639811"	1749.81656	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+2Na-H"	44.97116
"1141134"	613.25296	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2Na-H"	44.97116
"183328"	591.271018	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+2Na"	45.978436
"624355"	875.411918	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+2Na"	45.978436
"1123123"	307.130118	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2Na"	45.978436
"1408831"	205.089170666667	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H+2Na"	46.985712
"1436575"	615.294546	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H+HCOOH"	47.012746
"225175"	596.30404	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+3H2O+2H"	56.04448
"1517612"	629.34659	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+IsoProp+H"	61.06479
"420580"	599.257988	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+Na+K"	61.952376
"777200"	883.398888	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+Na+K"	61.952376
"1670251"	315.117088	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Na+K"	61.952376
"258959"	1200.579368	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+ACN+Na"	64.015768
"1227655"	632.297568	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+ACN+Na"	64.015768
"1716543"	632.321093	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+NH4+HCOOH"	64.039293
"1188094"	212.416484666667	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+3Na"	68.967654
"1652517"	637.276488	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Na+HCOOH"	68.994688
"162661"	1213.48264	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+2K-H"	76.91904
"608784"	1781.76444	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+2K-H"	76.91904
"1092201"	645.20084	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2K-H"	76.91904
"149017"	607.244958	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"2M+2K"	77.926316
"592955"	891.385858	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"3M+2K"	77.926316
"1080752"	323.104058	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2K"	77.926316
"1115056"	647.215392	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2K+H"	78.933592
"1348155"	647.303007	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+DMSO+H"	79.021207
"1018874"	651.342176	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2ACN+H"	83.060376
"1539555"	652.335808	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+IsoProp+Na+H"	84.054008
"1000166"	326.174726	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+2ACN+2H"	84.067652
"1597950"	653.250428	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+K+HCOOH"	84.968628
"1425797"	683.281938	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+H+CF3COOH"	115.000138
"1153900"	346.688001	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+3ACN+2H"	125.094202
"1711106"	700.308485	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+NH4+CF3COOH"	132.026685
"1645663"	705.26388	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+Na+CF3COOH"	136.98208
"1578032"	721.23782	"C06462"	"Leukotriene F4;LTF4"	"C28H44N2O8S"	"568.2818"	"M+K+CF3COOH"	152.95602
"808396"	120.0423	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M"	0
"976461"	101.02391	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-H2O-H"	-19.01839
"64335"	79.020924	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M-3H"	-3.021828
"509733"	119.035024	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M-3H"	-3.021828
"890817"	39.006824	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-3H"	-3.021828
"8302"	119.035024	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M-2H"	-2.014552
"447860"	179.056174	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M-2H"	-2.014552
"822380"	59.013874	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-2H"	-2.014552
"82003"	239.077324	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M-H"	-1.007276
"525212"	359.119624	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M-H"	-1.007276
"897545"	119.035024	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-H"	-1.007276
"50828"	256.103871	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M-2H+NH4"	16.019271
"488931"	376.146171	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M-2H+NH4"	16.019271
"866734"	136.061571	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-2H+NH4"	16.019271
"38285"	261.059266	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M-2H+Na"	20.974666
"477844"	381.101566	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M-2H+Na"	20.974666
"851999"	141.016966	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-2H+Na"	20.974666
"1619829"	141.016966	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Na-2H"	20.974666
"98423"	137.023363	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M-H+Cl"	33.962126
"536528"	197.044513	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M-H+Cl"	33.962126
"930408"	77.002213	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-H+Cl"	33.962126
"269329"	275.054002	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+Cl"	34.969402
"663939"	395.096302	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+Cl"	34.969402
"1273788"	155.011702	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Cl"	34.969402
"17438"	277.033206	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M-2H+K"	36.948606
"461378"	397.075506	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M-2H+K"	36.948606
"840274"	156.990906	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-2H+K"	36.948606
"1563765"	156.990906	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+K-2H"	36.948606
"952740"	165.040494	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-H+HCOOH"	44.998194
"363664"	285.082801	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+HCOOH-H"	44.998201
"353747"	299.098451	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+Hac-H"	59.013851
"1496017"	179.056151	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Hac-H"	59.013851
"969027"	187.022451	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-H+NaCOOH"	66.980151
"119030"	155.011702	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+2Cl"	69.938804
"564058"	215.032852	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+2Cl"	69.938804
"1029584"	94.990552	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2Cl"	69.938804
"1246976"	198.961185	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Br"	78.918885
"1312705"	201.017172	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Cl+HCOOH"	80.974872
"1326921"	222.999129	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Cl+NaCOOH"	102.956829
"921262"	233.027886	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M-H+CF3COOH"	112.985586
"1296876"	269.004564	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Cl+CF3COOH"	148.962264
"1373943"	85.029624	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H-2H2O"	-35.012676
"1388158"	103.0396	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H-H2O"	-17.0027
"295872"	241.091876	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+H"	1.007276
"689022"	361.134176	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+H"	1.007276
"1364278"	121.049576	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H"	1.007276
"138259"	121.049576	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+2H"	2.014552
"575631"	181.070726	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+2H"	2.014552
"1050262"	61.028426	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2H"	2.014552
"212332"	81.035476	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+3H"	3.021828
"652985"	121.049576	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+3H"	3.021828
"1174389"	41.021376	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+3H"	3.021828
"430007"	258.118423	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+NH4"	18.033823
"795378"	378.160723	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+NH4"	18.033823
"1692802"	138.076123	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+NH4"	18.033823
"336713"	129.5628495	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+H+NH4"	19.041099
"734603"	189.5839995	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+H+NH4"	19.041099
"1482956"	69.5416995	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H+NH4"	19.041099
"394349"	263.073818	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+Na"	22.989218
"757168"	383.116118	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+Na"	22.989218
"1604900"	143.031518	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Na"	22.989218
"318216"	132.040547	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+H+Na"	23.996494
"709908"	192.061697	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+H+Na"	23.996494
"1461776"	72.019397	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H+Na"	23.996494
"1058068"	48.34869	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2H+Na"	25.00377
"1264128"	153.075786	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+CH3OH+H"	33.033486
"381606"	279.047758	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+K"	38.963158
"742236"	399.090058	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+K"	38.963158
"1542836"	159.005458	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+K"	38.963158
"300740"	140.027517	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+H+K"	39.970434
"694255"	200.048667	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+H+K"	39.970434
"1448803"	80.006367	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H+K"	39.970434
"245427"	282.118426	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+ACN+H"	42.033826
"1222512"	162.076126	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+ACN+H"	42.033826
"1204209"	81.541701	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+ACN+2H"	43.041102
"195985"	285.05576	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+2Na-H"	44.97116
"638826"	405.09806	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+2Na-H"	44.97116
"1141243"	165.01346	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2Na-H"	44.97116
"182345"	143.031518	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+2Na"	45.978436
"623007"	203.052668	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+2Na"	45.978436
"1118859"	83.010368	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2Na"	45.978436
"1407848"	55.676004	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H+2Na"	46.985712
"1436685"	167.055046	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H+HCOOH"	47.012746
"225285"	148.06454	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+3H2O+2H"	56.04448
"1517722"	181.10709	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+IsoProp+H"	61.06479
"415222"	151.018488	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+Na+K"	61.952376
"770260"	211.039638	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+Na+K"	61.952376
"1670361"	90.997338	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Na+K"	61.952376
"259069"	304.100368	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+ACN+Na"	64.015768
"1230680"	184.058068	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+ACN+Na"	64.015768
"1717382"	184.081593	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+NH4+HCOOH"	64.039293
"1189297"	63.003318	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+3Na"	68.967654
"1654813"	189.036988	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Na+HCOOH"	68.994688
"162771"	317.00364	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+2K-H"	76.91904
"608894"	437.04594	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+2K-H"	76.91904
"1092311"	196.96134	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2K-H"	76.91904
"149127"	159.005458	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"2M+2K"	77.926316
"593065"	219.026608	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"3M+2K"	77.926316
"1082685"	98.984308	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2K"	77.926316
"1113828"	198.975892	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2K+H"	78.933592
"1346078"	199.063507	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+DMSO+H"	79.021207
"1018983"	203.102676	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2ACN+H"	83.060376
"1539546"	204.096308	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+IsoProp+Na+H"	84.054008
"1002462"	102.054976	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+2ACN+2H"	84.067652
"1598060"	205.010928	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+K+HCOOH"	84.968628
"1428093"	235.042438	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+H+CF3COOH"	115.000138
"1159476"	122.568251	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+3ACN+2H"	125.094202
"1711217"	252.068985	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+NH4+CF3COOH"	132.026685
"1646866"	257.02438	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+Na+CF3COOH"	136.98208
"1578142"	272.99832	"C06463"	"D-Threose;D-threo-Tetrose"	"C4H8O4"	"120.0423"	"M+K+CF3COOH"	152.95602
"808506"	180.0634	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M"	0
"976571"	161.04501	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"63960"	119.034990666667	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"508750"	179.056124	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"890927"	59.0138573333333	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8412"	179.056124	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"446877"	269.087824	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"819574"	89.024424	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"81386"	359.119524	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"524228"	539.182924	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"898020"	179.056124	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"48752"	376.146071	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"487948"	556.209471	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"864413"	196.082671	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"36572"	381.101466	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"476861"	561.164866	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"850651"	201.038066	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1619575"	201.038066	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"95376"	197.044463	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"538461"	287.076163	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"928088"	107.012763	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"267195"	395.096202	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"661497"	575.159602	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1273899"	215.032802	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"17911"	397.075406	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"458198"	577.138806	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"834543"	217.012006	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1555750"	217.012006	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"943369"	225.061594	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"366688"	405.125001	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"353851"	419.140651	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1496124"	239.077251	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"964759"	247.043551	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"119140"	215.032802	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"558701"	305.064502	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1036547"	125.001102	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1253646"	258.982285	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1316095"	261.038272	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1329218"	283.020229	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919185"	293.048986	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296986"	329.025664	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1374053"	145.050724	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1389362"	163.0607	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"297075"	361.134076	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"690226"	541.197476	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1364023"	181.070676	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"139464"	181.070676	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"576834"	271.102376	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1049279"	91.038976	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"211348"	121.049542666667	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"657467"	181.070676	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1175592"	61.0284093333333	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"431212"	378.160623	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"792208"	558.224023	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1686350"	198.097223	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"334636"	189.5839495	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"729245"	279.6156495	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1484523"	99.5522495	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"398466"	383.116018	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"755210"	563.179418	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1609750"	203.052618	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"319785"	192.061647	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"710383"	282.093347	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1463473"	102.029947	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1057812"	68.3557233333333	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1264238"	213.096886	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"379895"	399.089958	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"740524"	579.153358	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1543675"	219.026558	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"301946"	200.048617	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"695457"	290.080317	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1447455"	110.016917	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"244444"	402.160626	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1223715"	222.097226	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1205412"	111.552251	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"193908"	405.09796	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"638936"	585.16136	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1141353"	225.03456	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"182455"	203.052618	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"620929"	293.084318	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1120062"	113.020918	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1405771"	75.6830373333333	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1437887"	227.076146	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"222479"	208.08564	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1515645"	241.12819	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415332"	211.039588	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"774502"	301.071288	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1673751"	121.007888	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"259179"	424.142568	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1231883"	244.079168	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1720771"	244.102693	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1188313"	83.0103513333333	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656744"	249.058088	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"162513"	437.04584	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"606815"	617.10924	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1092421"	256.98244	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"149237"	219.026558	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"593175"	309.058258	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1084014"	128.994858	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1115154"	258.996992	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1346188"	259.084607	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1021162"	263.123776	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1539530"	264.117408	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1002572"	132.065526	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1591972"	265.032028	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1428203"	295.063538	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1159586"	152.578801	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1711327"	312.090085	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1646976"	317.04548	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1578252"	333.01942	"C06464"	"D-Altrose;D-altro-Hexose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"808616"	180.0634	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M"	0
"976681"	161.04501	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"66015"	119.034990666667	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"509953"	179.056124	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"889943"	59.0138573333333	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"8522"	179.056124	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"448080"	269.087824	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"818226"	89.024424	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"81497"	359.119524	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"522515"	539.182924	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"898861"	179.056124	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"53237"	376.146071	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"488788"	556.209471	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"865861"	196.082671	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"39599"	381.101466	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"474785"	561.164866	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"849423"	201.038066	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1619200"	201.038066	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"96458"	197.044463	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"539300"	287.076163	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"928443"	107.012763	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"268578"	395.096202	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"663066"	575.159602	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1275831"	215.032802	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"17778"	397.075406	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"458306"	577.138806	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"834651"	217.012006	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1558509"	217.012006	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"949673"	225.061594	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"374452"	405.125001	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"356148"	419.140651	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1500608"	239.077251	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"968150"	247.043551	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"114874"	215.032802	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"557718"	305.064502	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1037032"	125.001102	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1255578"	258.982285	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1314019"	261.038272	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1331515"	283.020229	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919295"	293.048986	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1298189"	329.025664	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1374163"	145.050724	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1389472"	163.0607	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"296821"	361.134076	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"688874"	541.197476	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1363401"	181.070676	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"139938"	181.070676	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"577674"	271.102376	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1049022"	91.038976	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"212552"	121.049542666667	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"654297"	181.070676	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1175702"	61.0284093333333	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"430229"	378.160623	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791225"	558.224023	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1685367"	198.097223	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"339120"	189.5839495	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"731543"	279.6156495	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1484269"	99.5522495	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"397483"	383.116018	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"757387"	563.179418	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1609860"	203.052618	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"318802"	192.061647	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"710129"	282.093347	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1462490"	102.029947	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1056465"	68.3557233333333	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1262526"	213.096886	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"379641"	399.089958	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"743917"	579.153358	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1545975"	219.026558	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"304243"	200.048617	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"694477"	290.080317	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1448298"	110.016917	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"244554"	402.160626	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1222732"	222.097226	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1202243"	111.552251	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"197301"	405.09796	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"637956"	585.16136	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1132227"	225.03456	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"175032"	203.052618	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624320"	293.084318	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1126734"	113.020918	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410258"	75.6830373333333	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1443466"	227.076146	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"228787"	208.08564	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1515755"	241.12819	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"418722"	211.039588	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"773519"	301.071288	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1671674"	121.007888	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"259289"	424.142568	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1230535"	244.079168	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1719058"	244.102693	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1187329"	83.0103513333333	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656127"	249.058088	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"164084"	437.04584	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"606925"	617.10924	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1092531"	256.98244	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"147160"	219.026558	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"593285"	309.058258	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1084002"	128.994858	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1115543"	258.996992	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1350310"	259.084607	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1021114"	263.123776	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1538181"	264.117408	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1002684"	132.065526	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1598280"	265.032028	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1425034"	295.063538	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1157510"	152.578801	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1708157"	312.090085	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1645993"	317.04548	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1578362"	333.01942	"C06465"	"D-Gulose;D-gulo-Hexose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"808726"	180.0634	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M"	0
"980071"	161.04501	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"68312"	119.034990666667	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"506777"	179.056124	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"886773"	59.0138573333333	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"4257"	179.056124	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"447096"	269.087824	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"817607"	89.024424	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"81969"	359.119524	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"520803"	539.182924	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"898971"	179.056124	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"50795"	376.146071	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"490353"	556.209471	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"865605"	196.082671	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"36427"	381.101466	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"474164"	561.164866	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"849409"	201.038066	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1619066"	201.038066	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"96567"	197.044463	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"536494"	287.076163	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"928181"	107.012763	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"267715"	395.096202	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"662078"	575.159602	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1276302"	215.032802	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"18491"	397.075406	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"458422"	577.138806	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"835490"	217.012006	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1556793"	217.012006	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"948690"	225.061594	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"369095"	405.125001	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"356258"	419.140651	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1501812"	239.077251	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"968260"	247.043551	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"118260"	215.032802	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"561108"	305.064502	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1028811"	125.001102	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1256417"	258.982285	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1314128"	261.038272	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1330168"	283.020229	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919405"	293.048986	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296842"	329.025664	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1375366"	145.050724	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1391769"	163.0607	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"297660"	361.134076	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"688985"	541.197476	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1364971"	181.070676	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"139320"	181.070676	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"578148"	271.102376	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1047675"	91.038976	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"212662"	121.049542666667	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"654407"	181.070676	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1174719"	61.0284093333333	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"428151"	378.160623	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"790242"	558.224023	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1682561"	198.097223	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"335950"	189.5839495	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"729466"	279.6156495	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1481099"	99.5522495	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"395771"	383.116018	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"760777"	563.179418	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1603892"	203.052618	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"314779"	192.061647	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"707685"	282.093347	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1461748"	102.029947	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1054752"	68.3557233333333	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1262272"	213.096886	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"380844"	399.089958	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"742934"	579.153358	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1542803"	219.026558	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"304353"	200.048617	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"693495"	290.080317	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1453876"	110.016917	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"244664"	402.160626	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1219562"	222.097226	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1201260"	111.552251	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"195225"	405.09796	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"639159"	585.16136	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1132826"	225.03456	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"177208"	203.052618	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624431"	293.084318	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1126844"	113.020918	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1410368"	75.6830373333333	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1442483"	227.076146	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"228897"	208.08564	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1514772"	241.12819	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415551"	211.039588	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"773629"	301.071288	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1670325"	121.007888	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"255025"	424.142568	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1230645"	244.079168	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1718439"	244.102693	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1185254"	83.0103513333333	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1657333"	249.058088	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"163100"	437.04584	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"602295"	617.10924	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1092641"	256.98244	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"145447"	219.026558	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"590115"	309.058258	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1082772"	128.994858	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1114412"	258.996992	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1349086"	259.084607	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1020168"	263.123776	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1538170"	264.117408	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1001702"	132.065526	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1599484"	265.032028	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1426238"	295.063538	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1156527"	152.578801	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1710454"	312.090085	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1646103"	317.04548	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1578472"	333.01942	"C06466"	"D-Idose;D-ido-Hexose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"808836"	180.0634	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M"	0
"980181"	161.04501	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"73889"	119.034990666667	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"512355"	179.056124	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"891258"	59.0138573333333	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"13842"	179.056124	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"452673"	269.087824	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"826101"	89.024424	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"89373"	359.119524	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"527840"	539.182924	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"908923"	179.056124	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"61721"	376.146071	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"496298"	556.209471	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"870821"	196.082671	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"36173"	381.101466	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"476096"	561.164866	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"851711"	201.038066	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1626712"	201.038066	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"97772"	197.044463	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"541706"	287.076163	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"931943"	107.012763	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"272686"	395.096202	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"668388"	575.159602	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1279697"	215.032802	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"23345"	397.075406	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"459622"	577.138806	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"835602"	217.012006	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1556537"	217.012006	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"948800"	225.061594	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"372485"	405.125001	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"356368"	419.140651	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1504107"	239.077251	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"967275"	247.043551	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"118370"	215.032802	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"562312"	305.064502	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1031109"	125.001102	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1255808"	258.982285	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1312051"	261.038272	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1326269"	283.020229	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"917326"	293.048986	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1297315"	329.025664	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1373289"	145.050724	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1391878"	163.0607	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"290472"	361.134076	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"687271"	541.197476	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1365935"	181.070676	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"139430"	181.070676	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"580690"	271.102376	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1051068"	91.038976	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"216052"	121.049542666667	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"652330"	181.070676	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1178347"	61.0284093333333	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"431543"	378.160623	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"796912"	558.224023	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1686681"	198.097223	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"332780"	189.5839495	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"726296"	279.6156495	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1481209"	99.5522495	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"397704"	383.116018	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"759794"	563.179418	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1607891"	203.052618	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"317927"	192.061647	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"707916"	282.093347	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1461980"	102.029947	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1056321"	68.3557233333333	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1262380"	213.096886	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"380225"	399.089958	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"743044"	579.153358	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1542182"	219.026558	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"301544"	200.048617	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"695789"	290.080317	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1453986"	110.016917	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"245867"	402.160626	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1219672"	222.097226	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1201370"	111.552251	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"196428"	405.09796	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"639269"	585.16136	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1132936"	225.03456	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"177318"	203.052618	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"623449"	293.084318	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1122580"	113.020918	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1407563"	75.6830373333333	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1441865"	227.076146	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"233748"	208.08564	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1518163"	241.12819	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"418214"	211.039588	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"773375"	301.071288	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1674447"	121.007888	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"258415"	424.142568	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1232216"	244.079168	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1718549"	244.102693	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1186457"	83.0103513333333	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1657443"	249.058088	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"165396"	437.04584	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"603497"	617.10924	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1090562"	256.98244	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"148472"	219.026558	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"596062"	309.058258	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1083857"	128.994858	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1114881"	258.996992	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1350897"	259.084607	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1020886"	263.123776	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1539131"	264.117408	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1001812"	132.065526	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1596314"	265.032028	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1424161"	295.063538	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1157730"	152.578801	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1708377"	312.090085	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1644026"	317.04548	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1578582"	333.01942	"C06467"	"D-Talose;D-talo-Hexose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"812226"	180.0634	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M"	0
"979198"	161.04501	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"66343"	119.034990666667	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"509184"	179.056124	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"891366"	59.0138573333333	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"12128"	179.056124	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"452783"	269.087824	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"828399"	89.024424	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"90577"	359.119524	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"526857"	539.182924	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"909033"	179.056124	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"57940"	376.146071	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"501511"	556.209471	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877857"	196.082671	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"35190"	381.101466	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"477303"	561.164866	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"857290"	201.038066	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1629009"	201.038066	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"102257"	197.044463	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"545098"	287.076163	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"936427"	107.012763	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"273889"	395.096202	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"668498"	575.159602	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1281994"	215.032802	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"22362"	397.075406	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"459734"	577.138806	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"837537"	217.012006	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1557742"	217.012006	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"948910"	225.061594	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"372595"	405.125001	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"356478"	419.140651	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1502031"	239.077251	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"965198"	247.043551	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"120668"	215.032802	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"565546"	305.064502	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1035472"	125.001102	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1255185"	258.982285	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1316172"	261.038272	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1331481"	283.020229	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"919624"	293.048986	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296332"	329.025664	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1374493"	145.050724	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1390896"	163.0607	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"291676"	361.134076	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"689571"	541.197476	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1365556"	181.070676	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"140635"	181.070676	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"581276"	271.102376	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1052275"	91.038976	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"219324"	121.049542666667	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"659611"	181.070676	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1178308"	61.0284093333333	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"439185"	378.160623	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"796657"	558.224023	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1692988"	198.097223	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"336170"	189.5839495	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"734060"	279.6156495	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1481319"	99.5522495	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"403281"	383.116018	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"763184"	563.179418	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1608001"	203.052618	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"322411"	192.061647	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"712645"	282.093347	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1468653"	102.029947	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1059712"	68.3557233333333	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1262491"	213.096886	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"379242"	399.089958	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"744248"	579.153358	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1545211"	219.026558	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"301654"	200.048617	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"696993"	290.080317	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1458470"	110.016917	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"245978"	402.160626	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1218689"	222.097226	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1206947"	111.552251	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"195445"	405.09796	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"642295"	585.16136	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1143616"	225.03456	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"178521"	203.052618	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624654"	293.084318	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1125970"	113.020918	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1406215"	75.6830373333333	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1442340"	227.076146	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"231671"	208.08564	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520825"	241.12819	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"420511"	211.039588	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"773485"	301.071288	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1674557"	121.007888	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"255607"	424.142568	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1230865"	244.079168	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1716106"	244.102693	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1185472"	83.0103513333333	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1656821"	249.058088	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"163681"	437.04584	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"604336"	617.10924	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1090306"	256.98244	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"147489"	219.026558	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"596375"	309.058258	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1083605"	128.994858	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1114748"	258.996992	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1350523"	259.084607	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1019172"	263.123776	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1537659"	264.117408	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1001922"	132.065526	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1597519"	265.032028	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1424271"	295.063538	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1157840"	152.578801	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1709581"	312.090085	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1646323"	317.04548	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1578692"	333.01942	"C06468"	"D-Psicose;D-ribo-Hex-2-ulose;D-ribo-2-Hexulose;D-ribo-2-Ketohexulose;D-erythro-Hexulose;D-Pseudofructose;D-Allulose;D-Altrulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"810151"	267.0954	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M"	0
"976028"	248.07701	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-H2O-H"	-19.01839
"63296"	177.056324	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M-3H"	-3.021828
"508201"	266.088124	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M-3H"	-3.021828
"886009"	88.024524	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-3H"	-3.021828
"10052"	266.088124	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M-2H"	-2.014552
"446333"	399.635824	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M-2H"	-2.014552
"819762"	132.540424	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-2H"	-2.014552
"85221"	533.183524	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M-H"	-1.007276
"530248"	800.278924	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M-H"	-1.007276
"906958"	266.088124	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-H"	-1.007276
"52583"	550.210071	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M-2H+NH4"	16.019271
"490686"	817.305471	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M-2H+NH4"	16.019271
"866301"	283.114671	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-2H+NH4"	16.019271
"40040"	555.165466	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M-2H+Na"	20.974666
"476320"	822.260866	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M-2H+Na"	20.974666
"853026"	288.070066	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-2H+Na"	20.974666
"1620736"	288.070066	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Na-2H"	20.974666
"102367"	284.076463	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M-H+Cl"	33.962126
"544115"	417.624163	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M-H+Cl"	33.962126
"927584"	150.528763	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-H+Cl"	33.962126
"276186"	569.160202	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+Cl"	34.969402
"663142"	836.255602	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+Cl"	34.969402
"1275544"	302.064802	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Cl"	34.969402
"20286"	571.139406	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M-2H+K"	36.948606
"455841"	838.234806	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M-2H+K"	36.948606
"833759"	304.044006	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-2H+K"	36.948606
"1556516"	304.044006	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+K-2H"	36.948606
"943470"	312.093594	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-H+HCOOH"	44.998194
"366145"	579.189001	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+HCOOH-H"	44.998201
"350027"	593.204651	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+Hac-H"	59.013851
"1494848"	326.109251	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Hac-H"	59.013851
"965308"	334.075551	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-H+NaCOOH"	66.980151
"117498"	302.064802	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+2Cl"	69.938804
"562532"	435.612502	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+2Cl"	69.938804
"1032423"	168.517102	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2Cl"	69.938804
"1256267"	346.014285	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Br"	78.918885
"1315553"	348.070272	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Cl+HCOOH"	80.974872
"1332321"	370.052229	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Cl+NaCOOH"	102.956829
"922651"	380.080986	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M-H+CF3COOH"	112.985586
"1299359"	416.057664	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Cl+CF3COOH"	148.962264
"1377519"	232.082724	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H-2H2O"	-35.012676
"1392100"	250.0927	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H-H2O"	-17.0027
"294705"	535.198076	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+H"	1.007276
"688588"	802.293476	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+H"	1.007276
"1366644"	268.102676	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H"	1.007276
"140260"	268.102676	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+2H"	2.014552
"580550"	401.650376	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+2H"	2.014552
"1051900"	134.554976	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2H"	2.014552
"218828"	179.070876	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+3H"	3.021828
"658020"	268.102676	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+3H"	3.021828
"1177725"	90.039076	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+3H"	3.021828
"438201"	552.224623	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+NH4"	18.033823
"798954"	819.320023	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+NH4"	18.033823
"1695651"	285.129223	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+NH4"	18.033823
"339561"	276.6159495	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+H+NH4"	19.041099
"734170"	410.1636495	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+H+NH4"	19.041099
"1481429"	143.0682495	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H+NH4"	19.041099
"403391"	557.180018	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+Na"	22.989218
"763294"	824.275418	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+Na"	22.989218
"1608111"	290.084618	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Na"	22.989218
"322521"	279.093647	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+H+Na"	23.996494
"712755"	412.641347	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+H+Na"	23.996494
"1468763"	145.545947	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H+Na"	23.996494
"1060916"	97.36639	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2H+Na"	25.00377
"1262601"	300.128886	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+CH3OH+H"	33.033486
"377892"	573.153958	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+K"	38.963158
"743264"	840.249358	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+K"	38.963158
"1545314"	306.058558	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+K"	38.963158
"300307"	287.080617	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+H+K"	39.970434
"693823"	420.628317	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+H+K"	39.970434
"1455300"	153.532917	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H+K"	39.970434
"243901"	576.224626	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+ACN+H"	42.033826
"1218799"	309.129226	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+ACN+H"	42.033826
"1203777"	155.068251	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+ACN+2H"	43.041102
"195555"	579.16196	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+2Na-H"	44.97116
"639489"	846.25736	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+2Na-H"	44.97116
"1141902"	312.06656	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2Na-H"	44.97116
"175351"	290.084618	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+2Na"	45.978436
"624400"	423.632318	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+2Na"	45.978436
"1124987"	156.536918	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2Na"	45.978436
"1409605"	104.693704	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H+2Na"	46.985712
"1442085"	314.108146	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H+HCOOH"	47.012746
"232874"	295.11764	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+3H2O+2H"	56.04448
"1519477"	328.16019	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+IsoProp+H"	61.06479
"420256"	298.071588	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+Na+K"	61.952376
"772866"	431.619288	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+Na+K"	61.952376
"1675031"	164.523888	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Na+K"	61.952376
"255352"	598.206568	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+ACN+Na"	64.015768
"1229882"	331.111168	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+ACN+Na"	64.015768
"1716580"	331.134693	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+NH4+HCOOH"	64.039293
"1183030"	112.021018	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+3Na"	68.967654
"1656567"	336.090088	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Na+HCOOH"	68.994688
"163791"	611.10984	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+2K-H"	76.91904
"602260"	878.20524	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+2K-H"	76.91904
"1088230"	344.01444	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2K-H"	76.91904
"146869"	306.058558	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"2M+2K"	77.926316
"594819"	439.606258	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"3M+2K"	77.926316
"1084131"	172.510858	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2K"	77.926316
"1114368"	346.028992	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2K+H"	78.933592
"1345646"	346.116607	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+DMSO+H"	79.021207
"1017457"	350.155776	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2ACN+H"	83.060376
"1534489"	351.149408	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+IsoProp+Na+H"	84.054008
"999845"	175.581526	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+2ACN+2H"	84.067652
"1597629"	352.064028	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+K+HCOOH"	84.968628
"1424381"	382.095538	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+H+CF3COOH"	115.000138
"1152482"	196.094801	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+3ACN+2H"	125.094202
"1709691"	399.122085	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+NH4+CF3COOH"	132.026685
"1646433"	404.07748	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+Na+CF3COOH"	136.98208
"1578802"	420.05142	"C06469"	"Neuraminic acid;5-Amino-35-dideoxy-D-glycero-D-galacto-2-nonulosonic acid"	"C9H17NO8"	"267.0954"	"M+K+CF3COOH"	152.95602
"802604"	251.1005	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M"	0
"976135"	232.08211	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-H2O-H"	-19.01839
"68749"	166.393057333333	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M-3H"	-3.021828
"507217"	250.093224	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M-3H"	-3.021828
"888305"	82.6928906666667	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-3H"	-3.021828
"4693"	250.093224	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M-2H"	-2.014552
"449723"	375.643474	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M-2H"	-2.014552
"826432"	124.542974	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-2H"	-2.014552
"88612"	501.193724	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M-H"	-1.007276
"531576"	752.294224	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M-H"	-1.007276
"905973"	250.093224	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-H"	-1.007276
"57066"	518.220271	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M-2H+NH4"	16.019271
"493348"	769.320771	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M-2H+NH4"	16.019271
"867505"	267.119771	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-2H+NH4"	16.019271
"37963"	523.175666	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M-2H+Na"	20.974666
"475336"	774.276166	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M-2H+Na"	20.974666
"851678"	272.075166	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-2H+Na"	20.974666
"1622669"	272.075166	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Na-2H"	20.974666
"106122"	268.081563	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M-H+Cl"	33.962126
"538756"	393.631813	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M-H+Cl"	33.962126
"937739"	142.531313	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-H+Cl"	33.962126
"274108"	537.170402	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+Cl"	34.969402
"667623"	788.270902	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+Cl"	34.969402
"1281118"	286.069902	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Cl"	34.969402
"21487"	539.149606	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M-2H+K"	36.948606
"457034"	790.250106	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M-2H+K"	36.948606
"835569"	288.049106	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-2H+K"	36.948606
"1557964"	288.049106	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+K-2H"	36.948606
"943171"	296.098694	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-H+HCOOH"	44.998194
"367345"	547.199201	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+HCOOH-H"	44.998201
"346975"	561.214851	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+Hac-H"	59.013851
"1496780"	310.114351	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Hac-H"	59.013851
"958845"	318.080651	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-H+NaCOOH"	66.980151
"119794"	286.069902	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+2Cl"	69.938804
"563735"	411.620152	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+2Cl"	69.938804
"1033626"	160.519652	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2Cl"	69.938804
"1253208"	330.019385	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Br"	78.918885
"1317851"	332.075372	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Cl+HCOOH"	80.974872
"1334984"	354.057329	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Cl+NaCOOH"	102.956829
"917657"	364.086086	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M-H+CF3COOH"	112.985586
"1295458"	400.062764	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Cl+CF3COOH"	148.962264
"1375805"	216.087824	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H-2H2O"	-35.012676
"1387834"	234.0978	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H-H2O"	-17.0027
"296272"	503.208276	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+H"	1.007276
"685782"	754.308776	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+H"	1.007276
"1361767"	252.107776	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H"	1.007276
"136844"	252.107776	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+2H"	2.014552
"579685"	377.658026	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+2H"	2.014552
"1049577"	126.557526	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2H"	2.014552
"212734"	168.407609333333	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+3H"	3.021828
"658613"	252.107776	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+3H"	3.021828
"1169690"	84.7074426666667	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+3H"	3.021828
"428589"	520.234823	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+NH4"	18.033823
"793960"	771.335323	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+NH4"	18.033823
"1690291"	269.134323	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+NH4"	18.033823
"341488"	260.6210495	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+H+NH4"	19.041099
"732093"	386.1712995	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+H+NH4"	19.041099
"1481539"	135.0707995	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H+NH4"	19.041099
"398031"	525.190218	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+Na"	22.989218
"763403"	776.290718	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+Na"	22.989218
"1612594"	274.089718	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Na"	22.989218
"320444"	263.098747	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+H+Na"	23.996494
"715052"	388.648997	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+H+Na"	23.996494
"1467780"	137.548497	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H+Na"	23.996494
"1061027"	92.0347566666667	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2H+Na"	25.00377
"1258336"	284.133986	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+CH3OH+H"	33.033486
"377638"	541.164158	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+K"	38.963158
"738754"	792.264658	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+K"	38.963158
"1541047"	290.063658	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+K"	38.963158
"301138"	271.085717	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+H+K"	39.970434
"692470"	396.635967	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+H+K"	39.970434
"1446654"	145.535467	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H+K"	39.970434
"240731"	544.234826	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+ACN+H"	42.033826
"1215629"	293.134326	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+ACN+H"	42.033826
"1200607"	147.070801	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+ACN+2H"	43.041102
"194572"	547.17216	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+2Na-H"	44.97116
"639599"	798.27266	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+2Na-H"	44.97116
"1140921"	296.07166	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2Na-H"	44.97116
"180929"	274.089718	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+2Na"	45.978436
"623416"	399.639968	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+2Na"	45.978436
"1125097"	148.539468	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2Na"	45.978436
"1409715"	99.3620706666667	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H+2Na"	46.985712
"1441830"	298.113246	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H+HCOOH"	47.012746
"232984"	279.12274	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+3H2O+2H"	56.04448
"1520680"	312.16529	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+IsoProp+H"	61.06479
"420366"	282.076688	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+Na+K"	61.952376
"772611"	407.626938	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+Na+K"	61.952376
"1675141"	156.526438	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Na+K"	61.952376
"254369"	566.216768	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+ACN+Na"	64.015768
"1227077"	315.116268	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+ACN+Na"	64.015768
"1715597"	315.139793	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+NH4+HCOOH"	64.039293
"1181683"	106.689384666667	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+3Na"	68.967654
"1655586"	320.095188	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Na+HCOOH"	68.994688
"160986"	579.12004	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+2K-H"	76.91904
"601277"	830.22054	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+2K-H"	76.91904
"1088340"	328.01954	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2K-H"	76.91904
"145523"	290.063658	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"2M+2K"	77.926316
"588368"	415.613908	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"3M+2K"	77.926316
"1083744"	164.513408	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2K"	77.926316
"1114721"	330.034092	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2K+H"	78.933592
"1345756"	330.121707	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+DMSO+H"	79.021207
"1017567"	334.160876	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2ACN+H"	83.060376
"1535693"	335.154508	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+IsoProp+Na+H"	84.054008
"999955"	167.584076	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+2ACN+2H"	84.067652
"1598832"	336.069128	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+K+HCOOH"	84.968628
"1424491"	366.100638	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+H+CF3COOH"	115.000138
"1151499"	188.097351	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+3ACN+2H"	125.094202
"1709801"	383.127185	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+NH4+CF3COOH"	132.026685
"1646543"	388.08258	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+Na+CF3COOH"	136.98208
"1578912"	404.05652	"C06470"	"Muramic acid;3-O-alpha-Carboxyethyl-D-glucosamine;2-Amino-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C9H17NO7"	"251.1005"	"M+K+CF3COOH"	152.95602
"813652"	148.0736	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M"	0
"981717"	129.05521	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"71051"	97.7084573333333	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"502949"	147.066324	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"890607"	48.3505906666667	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"9179"	147.066324	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"449836"	221.103124	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"824356"	73.029524	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"84348"	295.139924	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"531562"	443.213524	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"908270"	147.066324	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"54991"	312.166471	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"494551"	460.240071	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"867251"	164.092871	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"36980"	317.121866	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"473259"	465.195466	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"849237"	169.048266	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1619863"	169.048266	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"96028"	165.054663	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"538868"	239.091463	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"937848"	91.017863	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"269846"	331.116602	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"665546"	479.190202	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1279042"	183.043002	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"16736"	333.095806	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"456175"	481.169406	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"835679"	185.022206	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1555885"	185.022206	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"944249"	193.071794	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"362715"	341.145401	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"346964"	355.161051	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1493355"	207.087451	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"959198"	215.053751	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"119904"	183.043002	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"564453"	257.079802	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1036291"	109.006202	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1253318"	226.992485	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1317961"	229.048472	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1331080"	251.030429	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"919954"	261.059186	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1295568"	297.035864	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1373729"	113.060924	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1385758"	131.0709	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"293100"	297.154476	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"686258"	445.228076	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1362243"	149.080876	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"137316"	149.080876	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"576876"	223.117676	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1050414"	75.044076	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"218315"	99.7230093333333	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"658966"	149.080876	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1169800"	50.3651426666667	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"431983"	314.181023	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"794070"	462.254623	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1685297"	166.107423	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"339774"	157.5941495	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"730016"	231.6309495	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1478733"	83.5573495	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"398141"	319.136418	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"765700"	467.210018	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1613797"	171.062818	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"322741"	160.071847	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"716255"	234.108647	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1466801"	86.035047	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1058954"	57.6924566666667	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1257223"	181.107086	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"377865"	335.110358	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"738601"	483.183958	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1539993"	187.036758	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"299062"	168.058817	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"692218"	242.095617	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1447133"	94.022017	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"244122"	338.181026	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1212457"	190.107426	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1202907"	95.557351	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"197965"	341.11836	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"637526"	489.19196	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1133862"	193.04476	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"181041"	171.062818	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"623890"	245.099618	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1123021"	97.026018	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1406544"	65.0197706666667	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1438661"	195.086346	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"227263"	176.09584	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1516419"	209.13839	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"419383"	179.049788	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"778921"	253.086588	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1676346"	105.012988	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"254844"	360.162968	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1227187"	212.089368	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1714614"	212.112893	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1180697"	72.3470846666667	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1655696"	217.068288	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"163648"	373.06624	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"600291"	521.13984	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1091001"	224.99264	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"147817"	187.036758	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"588478"	261.073558	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1083326"	112.999958	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1113494"	227.007192	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1345866"	227.094807	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1017677"	231.133976	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1534709"	232.127608	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"995688"	116.070626	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1597849"	233.042228	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1427518"	263.073738	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1159264"	136.583901	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1708815"	280.100285	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1646652"	285.05568	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1579022"	301.02962	"C06471"	"Abequose;36-Deoxy-D-galactose;36-Deoxy-D-xylo-hexose;3-Deoxy-D-fucose"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"806105"	194.0427	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M"	0
"977449"	175.02431	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"72255"	128.354524	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"505253"	193.035424	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"895296"	63.673624	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"12569"	193.035424	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"455538"	290.056774	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"823375"	96.014074	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"91020"	387.078124	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"534030"	581.120824	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"911182"	193.035424	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"60934"	404.104671	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"499035"	598.147371	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"877204"	210.061971	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"40370"	409.060066	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"473370"	603.102766	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"856638"	215.017366	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1623983"	215.017366	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"100512"	211.023763	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"544445"	308.045113	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"940145"	114.002413	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"276516"	423.054802	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"667843"	617.097502	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1279152"	229.012102	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"19521"	425.034006	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"457256"	619.076706	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"836883"	230.991306	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1556237"	230.991306	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"943752"	239.040894	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"362703"	433.083601	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"347195"	447.099251	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1493952"	253.056551	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"959187"	261.022851	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"118917"	229.012102	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"563226"	326.033452	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1036767"	131.990752	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1256344"	272.961585	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1318804"	275.017572	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1335085"	296.999529	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"920064"	307.028286	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1300051"	343.004964	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1378941"	159.030024	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1390241"	177.04	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"286282"	389.092676	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"690984"	583.135376	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1366363"	195.049976	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"140711"	195.049976	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"580271"	292.071326	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1050888"	98.028626	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"217330"	130.369076	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"651784"	195.049976	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1169910"	65.688176	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"434279"	406.119223	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"791993"	600.161923	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1685043"	212.076523	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"339884"	203.5632495	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"732313"	300.5845995	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1485039"	106.5418995	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"398251"	411.074618	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"768849"	605.117318	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1611720"	217.031918	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"322851"	206.040947	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"716365"	303.062297	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1473472"	109.019597	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1064167"	73.01549	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1259286"	227.076186	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"378589"	427.048558	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"741408"	621.091258	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1543457"	233.005858	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"301725"	214.027917	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"692695"	311.049267	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1447243"	117.006567	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"246421"	430.119226	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1216942"	236.076526	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1203017"	118.541901	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"196981"	433.05656	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"637636"	627.09926	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1138226"	239.01386	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"182610"	217.031918	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"625456"	314.053268	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1125319"	120.010568	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1404102"	80.342804	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1439864"	241.055446	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"228467"	222.06494	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1517622"	255.10749	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"420224"	225.018888	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"779395"	322.040238	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1676456"	127.997538	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"254954"	452.101168	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1226934"	258.058468	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1715456"	258.081993	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1180810"	87.670118	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1651794"	263.037388	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"160478"	465.00444	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"599673"	659.04714	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1086736"	270.96174	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"143555"	233.005858	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"590775"	330.027208	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1078567"	135.984508	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1113849"	272.976292	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1345977"	273.063907	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1016697"	277.103076	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1533727"	278.096708	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1000175"	139.055176	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1594680"	279.011328	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1425806"	309.042838	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1159742"	159.568451	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1710019"	326.069385	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1645670"	331.02478	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1579132"	346.99872	"C06472"	"L-Iduronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"806215"	194.0427	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M"	0
"977560"	175.02431	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"64708"	128.354524	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"504270"	193.035424	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"891919"	63.673624	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"9399"	193.035424	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"451147"	290.056774	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"827858"	96.014074	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"92953"	387.078124	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"533363"	581.120824	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"908489"	193.035424	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"62586"	404.104671	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"500968"	598.147371	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"877314"	210.061971	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"40481"	409.060066	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"475667"	603.102766	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"858934"	215.017366	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1625186"	215.017366	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"106089"	211.023763	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"546742"	308.045113	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"940255"	114.002413	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"278812"	423.054802	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"672327"	617.097502	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1283635"	229.012102	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"21089"	425.034006	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"459191"	619.076706	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"842460"	230.991306	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1561573"	230.991306	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"946177"	239.040894	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"362934"	433.083601	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"349370"	447.099251	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1493460"	253.056551	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"958813"	261.022851	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"119027"	229.012102	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"562971"	326.033452	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1035425"	131.990752	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1255003"	272.961585	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1318551"	275.017572	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1333858"	296.999529	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"921267"	307.028286	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1303443"	343.004964	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1376135"	159.030024	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1388166"	177.04	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"286757"	389.092676	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"690849"	583.135376	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1365377"	195.049976	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"139359"	195.049976	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"580379"	292.071326	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1046620"	98.028626	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"214521"	130.369076	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"650801"	195.049976	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1175489"	65.688176	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"433295"	406.119223	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"796477"	600.161923	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1693900"	212.076523	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"341089"	203.5632495	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"731330"	300.5845995	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1487336"	106.5418995	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"400548"	411.074618	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"761545"	605.117318	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1615109"	217.031918	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"322959"	206.040947	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"716475"	303.062297	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1476376"	109.019597	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1067313"	73.01549	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1257938"	227.076186	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"378458"	427.048558	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"743704"	621.091258	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1544660"	233.005858	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"301106"	214.027917	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"692077"	311.049267	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1449175"	117.006567	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"246531"	430.119226	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1218145"	236.076526	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1200938"	118.541901	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"197091"	433.05656	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"638838"	627.09926	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1140157"	239.01386	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"181261"	217.031918	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"625202"	314.053268	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1123972"	120.010568	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1403848"	80.342804	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1439610"	241.055446	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"230400"	222.06494	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1518461"	255.10749	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"417418"	225.018888	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"779506"	322.040238	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1675837"	127.997538	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"253971"	452.101168	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1225825"	258.058468	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1714472"	258.081993	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1180556"	87.670118	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1650813"	263.037388	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"161683"	465.00444	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"598685"	659.04714	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1086847"	270.96174	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"144759"	233.005858	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"596237"	330.027208	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1082936"	135.984508	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1113959"	272.976292	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1349005"	273.063907	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1018628"	277.103076	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1534930"	278.096708	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1000285"	139.055176	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1598068"	279.011328	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1423728"	309.042838	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1158029"	159.568451	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1710129"	326.069385	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1645780"	331.02478	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1579242"	346.99872	"C06473"	"2-Keto-D-gluconic acid;2-Dehydro-D-gluconate;2-Dehydro-D-gluconic acid;alpha-D-arabino-2-Hexulosonic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"804138"	162.0528	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M"	0
"974586"	143.03441	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"63723"	107.027924	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"506564"	161.045524	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"893853"	53.010324	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"10602"	161.045524	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"451257"	242.071924	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"832343"	80.019124	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"92332"	323.098324	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"531891"	485.151124	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"908599"	161.045524	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"62696"	340.124871	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"501078"	502.177671	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"877788"	178.072071	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"41684"	345.080266	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"477964"	507.133066	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"860867"	183.027466	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1626390"	183.027466	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"109116"	179.033863	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"546852"	260.060263	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"941458"	98.007463	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"277829"	359.075002	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"672437"	521.127802	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1282652"	197.022202	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"20835"	361.054206	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"460395"	523.107006	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"842570"	199.001406	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1560590"	199.001406	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"943249"	207.050994	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363410"	369.103801	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"346442"	383.119451	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1492938"	221.066651	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"958550"	229.032951	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"119136"	197.022202	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"565396"	278.048602	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1035900"	115.995802	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1256569"	240.971685	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1319388"	243.027672	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1333964"	265.009629	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"917003"	275.038386	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1302095"	311.015064	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1374058"	127.040124	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1390461"	145.0501	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"289053"	325.112876	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"682570"	487.165676	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1358921"	163.060076	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"140197"	163.060076	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"579027"	244.086476	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1043450"	82.033676	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"208435"	109.042476	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"650911"	163.060076	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1175236"	55.024876	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"434864"	342.139423	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"792212"	504.192223	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1693647"	180.086623	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"339741"	171.5733495	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"732533"	252.5997495	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1484165"	90.5469495	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"398470"	347.094818	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"762747"	509.147618	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1611939"	185.042018	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"318695"	174.051047	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"717678"	255.077447	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1476607"	93.024647	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1067625"	62.35219	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1260965"	195.086286	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"391204"	363.068758	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"748186"	525.121558	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1548050"	201.015958	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"303039"	182.038017	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"694373"	263.064417	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1449649"	101.011617	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"247734"	366.139426	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1219349"	204.086626	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1202142"	102.546951	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"200482"	369.07676	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"641136"	531.12956	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1139175"	207.02396	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"181371"	185.042018	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"625312"	266.068418	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1127362"	104.015618	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1406875"	69.679504	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1443730"	209.065546	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"234154"	190.07504	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1522217"	223.11759	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"418621"	193.028988	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"781438"	274.055388	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1675947"	112.002588	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"255904"	388.121368	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1227514"	226.068568	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1716405"	226.092093	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1180667"	77.006818	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1656028"	231.047488	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"161793"	401.02464	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"600256"	563.07744	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1088050"	238.97184	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"148148"	201.015958	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"593554"	282.042358	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1080984"	119.989558	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1112733"	240.986392	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1348388"	241.074007	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1016917"	245.113176	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1536136"	246.106808	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"1000395"	123.060226	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1598179"	247.021428	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1424931"	277.052938	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1160326"	143.573501	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1710969"	294.079485	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1645890"	299.03488	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1579352"	315.00882	"C06474"	"36-Anhydrogalactose;36-Anhydro-D-galactose"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"801372"	356.2563	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M"	0
"974863"	337.23791	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-H2O-H"	-19.01839
"63834"	236.496924	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M-3H"	-3.021828
"504486"	355.249024	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M-3H"	-3.021828
"893234"	117.744824	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-3H"	-3.021828
"9619"	355.249024	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M-2H"	-2.014552
"449180"	533.377174	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M-2H"	-2.014552
"830263"	177.120874	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-2H"	-2.014552
"88067"	711.505324	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M-H"	-1.007276
"525441"	1067.761624	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M-H"	-1.007276
"909561"	355.249024	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-H"	-1.007276
"59805"	728.531871	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M-2H+NH4"	16.019271
"499366"	1084.788171	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M-2H+NH4"	16.019271
"877170"	372.275571	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-2H+NH4"	16.019271
"38514"	733.487266	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M-2H+Na"	20.974666
"478074"	1089.743566	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M-2H+Na"	20.974666
"861341"	377.230966	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-2H+Na"	20.974666
"1628687"	377.230966	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Na-2H"	20.974666
"108863"	373.237363	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M-H+Cl"	33.962126
"548543"	551.365513	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M-H+Cl"	33.962126
"942059"	195.109213	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-H+Cl"	33.962126
"279033"	747.482002	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+Cl"	34.969402
"672547"	1103.738302	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+Cl"	34.969402
"1283856"	391.225702	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Cl"	34.969402
"20947"	749.461206	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M-2H+K"	36.948606
"461600"	1105.717506	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M-2H+K"	36.948606
"842681"	393.204906	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-2H+K"	36.948606
"1560702"	393.204906	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+K-2H"	36.948606
"943723"	401.254494	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-H+HCOOH"	44.998194
"362792"	757.510801	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+HCOOH-H"	44.998201
"346432"	771.526451	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+Hac-H"	59.013851
"1497330"	415.270151	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Hac-H"	59.013851
"968882"	423.236451	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-H+NaCOOH"	66.980151
"118153"	391.225702	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+2Cl"	69.938804
"565016"	569.353852	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+2Cl"	69.938804
"1036374"	213.097552	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2Cl"	69.938804
"1255579"	435.175185	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Br"	78.918885
"1319825"	437.231172	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Cl+HCOOH"	80.974872
"1334438"	459.213129	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Cl+NaCOOH"	102.956829
"921486"	469.241886	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M-H+CF3COOH"	112.985586
"1303950"	505.218564	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Cl+CF3COOH"	148.962264
"1375261"	321.243624	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H-2H2O"	-35.012676
"1390571"	339.2536	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H-H2O"	-17.0027
"288071"	713.519876	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+H"	1.007276
"682680"	1069.776176	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+H"	1.007276
"1360124"	357.263576	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H"	1.007276
"137025"	357.263576	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+2H"	2.014552
"577678"	535.391726	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+2H"	2.014552
"1043560"	179.135426	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2H"	2.014552
"207452"	238.511476	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+3H"	3.021828
"651021"	357.263576	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+3H"	3.021828
"1175711"	119.759376	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+3H"	3.021828
"436068"	730.546423	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+NH4"	18.033823
"795241"	1086.802723	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+NH4"	18.033823
"1692300"	374.290123	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+NH4"	18.033823
"339123"	365.7768495	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+H+NH4"	19.041099
"732643"	543.9049995	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+H+NH4"	19.041099
"1485369"	187.6486995	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H+NH4"	19.041099
"398580"	735.501818	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+Na"	22.989218
"765044"	1091.758118	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+Na"	22.989218
"1609862"	379.245518	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Na"	22.989218
"318806"	368.254547	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+H+Na"	23.996494
"716695"	546.382697	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+H+Na"	23.996494
"1476965"	190.126397	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H+Na"	23.996494
"1068183"	127.08669	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2H+Na"	25.00377
"1262169"	389.289786	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+CH3OH+H"	33.033486
"388398"	751.475758	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+K"	38.963158
"749390"	1107.732058	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+K"	38.963158
"1544880"	395.219458	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+K"	38.963158
"300961"	376.241517	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+H+K"	39.970434
"694483"	554.369667	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+H+K"	39.970434
"1449031"	198.113367	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H+K"	39.970434
"244565"	754.546426	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+ACN+H"	42.033826
"1216179"	398.290126	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+ACN+H"	42.033826
"1204440"	199.648701	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+ACN+2H"	43.041102
"200592"	757.48376	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+2Na-H"	44.97116
"641246"	1113.74006	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+2Na-H"	44.97116
"1139285"	401.22746	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2Na-H"	44.97116
"181481"	379.245518	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+2Na"	45.978436
"626151"	557.373668	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+2Na"	45.978436
"1125285"	201.117368	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2Na"	45.978436
"1409173"	134.414004	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H+2Na"	46.985712
"1436915"	403.269046	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H+HCOOH"	47.012746
"229890"	384.27854	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+3H2O+2H"	56.04448
"1519410"	417.32109	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+IsoProp+H"	61.06479
"418731"	387.232488	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+Na+K"	61.952376
"781912"	565.360638	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+Na+K"	61.952376
"1676057"	209.104338	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Na+K"	61.952376
"259294"	776.528368	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+ACN+Na"	64.015768
"1229817"	420.272068	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+ACN+Na"	64.015768
"1720890"	420.295593	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+NH4+HCOOH"	64.039293
"1185152"	141.741318	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+3Na"	68.967654
"1656138"	425.250988	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Na+HCOOH"	68.994688
"162996"	789.43164	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+2K-H"	76.91904
"599756"	1145.68794	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+2K-H"	76.91904
"1087067"	433.17534	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2K-H"	76.91904
"144979"	395.219458	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"2M+2K"	77.926316
"596090"	573.347608	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"3M+2K"	77.926316
"1083969"	217.091308	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2K"	77.926316
"1112479"	435.189892	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2K+H"	78.933592
"1347041"	435.277507	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+DMSO+H"	79.021207
"1015934"	439.316676	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2ACN+H"	83.060376
"1534059"	440.310308	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+IsoProp+Na+H"	84.054008
"1000504"	220.161976	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+2ACN+2H"	84.067652
"1597193"	441.224928	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+K+HCOOH"	84.968628
"1418843"	471.256438	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+H+CF3COOH"	115.000138
"1152048"	240.675251	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+3ACN+2H"	125.094202
"1711444"	488.282985	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+NH4+CF3COOH"	132.026685
"1647093"	493.23838	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+Na+CF3COOH"	136.98208
"1579462"	509.21232	"C06475"	"Prostaglandin F1alpha;(13E15S)-9alpha11alpha-91115-Trihydroxyprost-13-en-1-oic acid"	"C20H36O5"	"356.2563"	"M+K+CF3COOH"	152.95602
"801926"	352.225	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M"	0
"976064"	333.20661	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"64306"	233.809390666667	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"503254"	351.217724	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"886779"	116.401057333333	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"9729"	351.217724	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"453303"	527.330224	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"829280"	175.105224	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"85991"	703.442724	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"528832"	1055.667724	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"908578"	351.217724	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"59915"	720.469271	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"497289"	1072.694271	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"875092"	368.244271	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"39717"	725.424666	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"475268"	1077.649666	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"862425"	373.199666	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1630984"	373.199666	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"109425"	369.206063	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"549017"	545.318563	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"942291"	193.093563	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"278779"	739.419402	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"672657"	1091.644402	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1280690"	387.194402	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"24339"	741.398606	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"461711"	1093.623606	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"838420"	389.173606	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1558627"	389.173606	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"944321"	397.223194	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"362538"	749.448201	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"348608"	763.463851	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1497440"	411.238851	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"959512"	419.205151	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"114983"	387.194402	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"565125"	563.306902	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1036484"	211.081902	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1254960"	431.143885	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1319691"	433.199872	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1330538"	455.181829	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"925607"	465.210586	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1302680"	501.187264	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1375371"	317.212324	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1390681"	335.2223	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"289275"	705.457276	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"683883"	1057.682276	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1355860"	353.232276	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H"	1.007276
"136404"	353.232276	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"574870"	529.344776	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1040390"	177.119776	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"210478"	235.823942666667	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"648215"	353.232276	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1172539"	118.415609333333	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"434721"	722.483823	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"791342"	1074.708823	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1687673"	370.258823	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"337045"	361.7455495	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"732753"	537.8580495	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1482199"	185.6330495	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"401970"	727.439218	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"768070"	1079.664218	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1612160"	375.214218	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"326571"	364.223247	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"717898"	540.335747	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1472821"	188.110747	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1064971"	125.742923333333	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1261183"	385.258486	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"387414"	743.413158	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"747314"	1095.638158	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1544992"	391.188158	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+K"	38.963158
"303260"	372.210217	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"692770"	548.322717	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1449506"	196.097717	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"245768"	746.483826	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1214103"	394.258826	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1203457"	197.633051	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"199610"	749.42116	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"639170"	1101.64616	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1140489"	397.19616	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"180862"	375.214218	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"625896"	551.326718	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1127581"	199.101718	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1411835"	133.070237333333	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1438118"	399.237746	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"228907"	380.24724	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1520250"	413.28979	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"419936"	383.201188	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"781658"	559.313688	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1676167"	207.088688	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"259404"	768.465768	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1229927"	416.240768	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1721000"	416.264293	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1186355"	140.397551333333	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1658434"	421.219688	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"162013"	781.36904	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"599380"	1133.59404	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1085719"	429.14404	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"143996"	391.188158	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"594499"	567.300658	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1084156"	215.075658	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1111130"	431.158592	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1347514"	431.246207	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1017137"	435.285376	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1537448"	436.279008	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"1000614"	218.146326	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1595116"	437.193628	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1421869"	467.225138	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1152158"	238.659601	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1706082"	484.251685	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1647203"	489.20708	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1579572"	505.18102	"C06476"	"Prostaglandin F3alpha"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"802401"	194.0427	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M"	0
"976539"	175.02431	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"65145"	128.354524	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"505798"	193.035424	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"887982"	63.673624	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"6559"	193.035424	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"453775"	290.056774	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"826110"	96.014074	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"88288"	387.078124	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"528942"	581.120824	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"908930"	193.035424	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"61973"	404.104671	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"499586"	598.147371	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"875202"	210.061971	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"38734"	409.060066	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"473921"	603.102766	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"860470"	215.017366	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1630001"	215.017366	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"106531"	211.023763	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"547183"	308.045113	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"940695"	114.002413	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"279253"	423.054802	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"674713"	617.097502	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1280800"	229.012102	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"20075"	425.034006	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"460728"	619.076706	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"838530"	230.991306	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1558737"	230.991306	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"945524"	239.040894	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"363375"	433.083601	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"349811"	447.099251	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1498643"	253.056551	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"961808"	261.022851	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"112904"	229.012102	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"563779"	326.033452	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1036229"	131.990752	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1256163"	272.961585	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1318610"	275.017572	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1334415"	296.999529	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"923528"	307.028286	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1302306"	343.004964	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1379128"	159.030024	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1395167"	177.04	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"290478"	389.092676	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"682900"	583.135376	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1360708"	195.049976	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"135056"	195.049976	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"577898"	292.071326	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1041593"	98.028626	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"208401"	130.369076	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"651240"	195.049976	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1173743"	65.688176	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"434831"	406.119223	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"792545"	600.161923	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1687783"	212.076523	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"334968"	203.5632495	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"732863"	300.5845995	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1482309"	106.5418995	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"402080"	411.074618	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"767816"	605.117318	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1614457"	217.031918	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"328263"	206.040947	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"718008"	303.062297	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1474024"	109.019597	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1067995"	73.01549	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1261295"	227.076186	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"384242"	427.048558	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"746331"	621.091258	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1546195"	233.005858	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"303370"	214.027917	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"693610"	311.049267	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1449615"	117.006567	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"245878"	430.119226	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1214213"	236.076526	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1203567"	118.541901	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"199720"	433.05656	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"637093"	627.09926	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1139505"	239.01386	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"180608"	217.031918	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"626371"	314.053268	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1128784"	120.010568	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1413038"	80.342804	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1439322"	241.055446	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"229017"	222.06494	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1519631"	255.10749	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"417858"	225.018888	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"778852"	322.040238	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1675184"	127.997538	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"257327"	452.101168	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1228215"	258.058468	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1718924"	258.081993	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1185372"	87.670118	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1654171"	263.037388	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"158843"	465.00444	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"599852"	659.04714	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1088381"	270.96174	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"145199"	233.005858	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"595704"	330.027208	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1079116"	135.984508	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1112329"	272.976292	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1348718"	273.063907	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1016152"	277.103076	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1536465"	278.096708	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1000724"	139.055176	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1595226"	279.011328	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1420886"	309.042838	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1153361"	159.568451	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1702912"	326.069385	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1647313"	331.02478	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1579682"	346.99872	"C06477"	"L-Guluronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"803484"	162.0528	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M"	0
"975192"	143.03441	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"65256"	107.027924	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"506274"	161.045524	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"886998"	53.010324	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"9949"	161.045524	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"453885"	242.071924	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"827313"	80.019124	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"88398"	323.098324	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"529052"	485.151124	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"909040"	161.045524	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"62493"	340.124871	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"501520"	502.177671	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"875312"	178.072071	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"42124"	345.080266	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"477311"	507.133066	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"862766"	183.027466	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1631204"	183.027466	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"109435"	179.033863	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"548386"	260.060263	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"941777"	98.007463	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"280456"	359.075002	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"672877"	521.127802	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1283097"	197.022202	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"17999"	361.054206	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"458652"	523.107006	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"837546"	199.001406	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1562127"	199.001406	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"945634"	207.050994	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363850"	369.103801	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"352108"	383.119451	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1498753"	221.066651	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"961919"	229.032951	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"115202"	197.022202	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"563526"	278.048602	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1036464"	115.995802	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1255546"	240.971685	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1317992"	243.027672	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1334930"	265.009629	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"926926"	275.038386	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1303957"	311.015064	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1378143"	127.040124	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1393453"	145.0501	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"289495"	325.112876	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"681917"	487.165676	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1365557"	163.060076	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"133707"	163.060076	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"577280"	244.086476	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1040610"	82.033676	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"207418"	109.042476	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"651350"	163.060076	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1167291"	55.024876	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"434577"	342.139423	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"791562"	504.192223	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1683519"	180.086623	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"337265"	171.5733495	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"734066"	252.5997495	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1483512"	90.5469495	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"405470"	347.094818	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"768654"	509.147618	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1613473"	185.042018	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"322417"	174.051047	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"714838"	255.077447	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1474134"	93.024647	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1066282"	62.35219	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1262498"	195.086286	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"385446"	363.068758	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"748628"	525.121558	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1551772"	201.015958	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"306760"	182.038017	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"698087"	263.064417	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1450818"	101.011617	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"238331"	366.139426	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1217600"	204.086626	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1203677"	102.546951	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"199465"	369.07676	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"640119"	531.12956	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1143625"	207.02396	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"183999"	185.042018	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"626845"	266.068418	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1130843"	104.015618	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1413153"	69.679504	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1444171"	209.065546	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"233136"	190.07504	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1519375"	223.11759	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"417967"	193.028988	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"778962"	274.055388	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1673107"	112.002588	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"256344"	388.121368	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1228689"	226.068568	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1716847"	226.092093	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1185482"	77.006818	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1655374"	231.047488	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"160046"	401.02464	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"598505"	563.07744	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1089584"	238.97184	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"147495"	201.015958	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"594357"	282.042358	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1077040"	119.989558	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1112439"	240.986392	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1346644"	241.074007	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1015169"	245.113176	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1535482"	246.106808	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"1000834"	123.060226	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1594243"	247.021428	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1423183"	277.052938	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1155658"	143.573501	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1704116"	294.079485	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1647423"	299.03488	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1579792"	315.00882	"C06478"	"36-Anhydroglucose;36-Anhydro-D-glucose"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"801897"	151.9966	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M"	0
"978229"	132.97821	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-H2O-H"	-19.01839
"63310"	100.323790666667	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M-3H"	-3.021828
"502818"	150.989324	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M-3H"	-3.021828
"879989"	49.6582573333333	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-3H"	-3.021828
"49"	150.989324	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M-2H"	-2.014552
"440104"	226.987624	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M-2H"	-2.014552
"823055"	74.991024	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-2H"	-2.014552
"83048"	302.985924	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M-H"	-1.007276
"532451"	454.982524	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M-H"	-1.007276
"901507"	150.989324	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-H"	-1.007276
"51507"	320.012471	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M-2H+NH4"	16.019271
"488513"	472.009071	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M-2H+NH4"	16.019271
"866802"	168.015871	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-2H+NH4"	16.019271
"32266"	324.967866	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M-2H+Na"	20.974666
"472318"	476.964466	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M-2H+Na"	20.974666
"849026"	172.971266	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-2H+Na"	20.974666
"1620012"	172.971266	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Na-2H"	20.974666
"95204"	168.977663	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M-H+Cl"	33.962126
"534768"	244.975963	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M-H+Cl"	33.962126
"927920"	92.979363	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-H+Cl"	33.962126
"268415"	338.962602	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+Cl"	34.969402
"660839"	490.959202	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+Cl"	34.969402
"1273280"	186.966002	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Cl"	34.969402
"16442"	340.941806	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M-2H+K"	36.948606
"455960"	492.938406	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M-2H+K"	36.948606
"833890"	188.945206	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-2H+K"	36.948606
"1556773"	188.945206	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+K-2H"	36.948606
"944289"	196.994794	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-H+HCOOH"	44.998194
"370530"	348.991401	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+HCOOH-H"	44.998201
"360619"	363.007051	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+Hac-H"	59.013851
"1508048"	211.010451	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Hac-H"	59.013851
"973724"	218.976751	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-H+NaCOOH"	66.980151
"125430"	186.966002	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+2Cl"	69.938804
"564369"	262.964302	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+2Cl"	69.938804
"1036088"	110.967702	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2Cl"	69.938804
"1256275"	230.915485	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Br"	78.918885
"1319573"	232.971472	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Cl+HCOOH"	80.974872
"1327589"	254.953429	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Cl+NaCOOH"	102.956829
"920836"	264.982186	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M-H+CF3COOH"	112.985586
"1298638"	300.958864	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Cl+CF3COOH"	148.962264
"1382275"	116.983924	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H-2H2O"	-35.012676
"1395757"	134.9939	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H-H2O"	-17.0027
"296537"	305.000476	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+H"	1.007276
"687136"	456.997076	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+H"	1.007276
"1358382"	153.003876	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H"	1.007276
"139291"	153.003876	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+2H"	2.014552
"574111"	229.002176	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+2H"	2.014552
"1042910"	77.005576	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2H"	2.014552
"214095"	102.338342666667	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+3H"	3.021828
"652562"	153.003876	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+3H"	3.021828
"1177013"	51.6728093333333	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+3H"	3.021828
"438828"	322.027023	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+NH4"	18.033823
"801035"	474.023623	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+NH4"	18.033823
"1691291"	170.030423	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+NH4"	18.033823
"334101"	161.5171495	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+H+NH4"	19.041099
"736003"	237.5154495	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+H+NH4"	19.041099
"1489825"	85.5188495	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H+NH4"	19.041099
"401217"	326.982418	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+Na"	22.989218
"765494"	478.979018	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+Na"	22.989218
"1609219"	174.985818	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Na"	22.989218
"325816"	163.994847	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+H+Na"	23.996494
"717142"	239.993147	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+H+Na"	23.996494
"1468776"	87.996547	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H+Na"	23.996494
"1059836"	59.0001233333333	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2H+Na"	25.00377
"1265888"	185.030086	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+CH3OH+H"	33.033486
"384461"	342.956358	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+K"	38.963158
"744362"	494.952958	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+K"	38.963158
"1541314"	190.959758	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+K"	38.963158
"301407"	171.981817	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+H+K"	39.970434
"703678"	247.980117	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+H+K"	39.970434
"1458232"	95.983517	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H+K"	39.970434
"249022"	346.027026	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+ACN+H"	42.033826
"1221729"	194.030426	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+ACN+H"	42.033826
"1207801"	97.518851	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+ACN+2H"	43.041102
"202866"	348.96436	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+2Na-H"	44.97116
"643031"	500.96096	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+2Na-H"	44.97116
"1146296"	196.96776	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2Na-H"	44.97116
"187280"	174.985818	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+2Na"	45.978436
"626961"	250.984118	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+2Na"	45.978436
"1129740"	98.987518	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2Na"	45.978436
"1413959"	66.3274373333333	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H+2Na"	46.985712
"1442822"	199.009346	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H+HCOOH"	47.012746
"233976"	180.01884	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+3H2O+2H"	56.04448
"1519485"	213.06139	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+IsoProp+H"	61.06479
"418077"	182.972788	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+Na+K"	61.952376
"780166"	258.971088	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+Na+K"	61.952376
"1671029"	106.974488	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Na+K"	61.952376
"259736"	368.008968	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+ACN+Na"	64.015768
"1234633"	216.012368	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+ACN+Na"	64.015768
"1714404"	216.035893	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+NH4+HCOOH"	64.039293
"1187779"	73.6547513333333	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+3Na"	68.967654
"1651109"	220.991288	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Na+HCOOH"	68.994688
"163440"	380.91224	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+2K-H"	76.91904
"603003"	532.90884	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+2K-H"	76.91904
"1097724"	228.91564	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2K-H"	76.91904
"154175"	190.959758	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"2M+2K"	77.926316
"594104"	266.958058	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"3M+2K"	77.926316
"1080438"	114.961458	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2K"	77.926316
"1112195"	230.930192	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2K+H"	78.933592
"1345657"	231.017807	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+DMSO+H"	79.021207
"1018197"	235.056976	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2ACN+H"	83.060376
"1537419"	236.050608	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+IsoProp+Na+H"	84.054008
"1003864"	118.032126	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+2ACN+2H"	84.067652
"1598732"	236.965228	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+K+HCOOH"	84.968628
"1426577"	266.996738	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+H+CF3COOH"	115.000138
"1156864"	138.545401	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+3ACN+2H"	125.094202
"1702040"	284.023285	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+NH4+CF3COOH"	132.026685
"1638785"	288.97868	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+Na+CF3COOH"	136.98208
"1579906"	304.95262	"C06484"	"45-cis-Dihydroxy-12-dithiacyclohexane;Oxidized dithioerythritol"	"C4H8O2S2"	"151.9966"	"M+K+CF3COOH"	152.95602
"803709"	162.0528	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M"	0
"984901"	143.03441	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"64394"	107.027924	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"503168"	161.045524	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"880005"	53.010324	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"407"	161.045524	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"440048"	242.071924	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"820979"	80.019124	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"84251"	323.098324	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"532439"	485.151124	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"900524"	161.045524	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"51617"	340.124871	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"488382"	502.177671	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"868978"	178.072071	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"32139"	345.080266	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"471449"	507.133066	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"849989"	183.027466	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1619031"	183.027466	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"94329"	179.033863	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"535487"	260.060263	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"927908"	98.007463	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"267474"	359.075002	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"662167"	521.127802	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1275662"	197.022202	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"17124"	361.054206	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"456684"	523.107006	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"834487"	199.001406	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1557976"	199.001406	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"945858"	207.050994	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363713"	369.103801	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"361093"	383.119451	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1506276"	221.066651	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"972002"	229.032951	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"125622"	197.022202	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"563022"	278.048602	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1036928"	115.995802	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1256142"	240.971685	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1319438"	243.027672	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1325514"	265.009629	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"920946"	275.038386	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1303126"	311.015064	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1382508"	127.040124	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1397692"	145.0501	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"296648"	325.112876	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"687975"	487.165676	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1358493"	163.060076	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"139401"	163.060076	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"573857"	244.086476	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1047397"	82.033676	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"213841"	109.042476	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"653401"	163.060076	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1172989"	55.024876	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"435169"	342.139423	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"795070"	504.192223	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1687028"	180.086623	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"340774"	171.5733495	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"734290"	252.5997495	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1488109"	90.5469495	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"405698"	347.094818	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"765600"	509.147618	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1614796"	185.042018	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"324832"	174.051047	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"716161"	255.077447	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1475447"	93.024647	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1063226"	62.35219	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1263808"	195.086286	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"386757"	363.068758	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"748846"	525.121558	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1541427"	201.015958	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"309178"	182.038017	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"705980"	263.064417	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1459435"	101.011617	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"250469"	366.139426	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1223906"	204.086626	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1204993"	102.546951	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"200787"	369.07676	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"636339"	531.12956	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1137656"	207.02396	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"179853"	185.042018	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"622694"	266.068418	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1130660"	104.015618	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1408630"	69.679504	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1442931"	209.065546	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"227159"	190.07504	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1509752"	223.11759	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"410531"	193.028988	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"775903"	274.055388	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1667493"	112.002588	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"258753"	388.121368	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1231461"	226.068568	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1721442"	226.092093	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1182786"	77.006818	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1651585"	231.047488	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"171206"	401.02464	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"609674"	563.07744	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1098084"	238.97184	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"155380"	201.015958	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"594946"	282.042358	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1081280"	119.989558	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1114125"	240.986392	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1349784"	241.074007	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1018673"	245.113176	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1536798"	246.106808	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"1001787"	123.060226	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1601031"	247.021428	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1424499"	277.052938	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1162442"	143.573501	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1707619"	294.079485	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1645455"	299.03488	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1580016"	315.00882	"C06485"	"15-Anhydro-D-fructose"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"810380"	758.2345	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M"	0
"985011"	739.21611	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-H2O-H"	-19.01839
"63413"	504.482390666667	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M-3H"	-3.021828
"507345"	757.227224	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M-3H"	-3.021828
"880048"	251.737557333333	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-3H"	-3.021828
"148"	757.227224	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M-2H"	-2.014552
"440072"	1136.344474	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M-2H"	-2.014552
"818902"	378.109974	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-2H"	-2.014552
"84361"	1515.461724	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M-H"	-1.007276
"529390"	2273.696224	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M-H"	-1.007276
"898446"	757.227224	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-H"	-1.007276
"48567"	1532.488271	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M-2H+NH4"	16.019271
"487199"	2290.722771	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M-2H+NH4"	16.019271
"865808"	774.253771	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-2H+NH4"	16.019271
"31537"	1537.443666	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M-2H+Na"	20.974666
"471432"	2295.678166	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M-2H+Na"	20.974666
"848530"	779.209166	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-2H+Na"	20.974666
"1618817"	779.209166	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Na-2H"	20.974666
"94691"	775.215563	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M-H+Cl"	33.962126
"534415"	1154.332813	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M-H+Cl"	33.962126
"927320"	396.098313	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-H+Cl"	33.962126
"267340"	1551.438402	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+Cl"	34.969402
"660571"	2309.672902	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+Cl"	34.969402
"1272933"	793.203902	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Cl"	34.969402
"15838"	1553.417606	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M-2H+K"	36.948606
"455744"	2311.652106	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M-2H+K"	36.948606
"832873"	795.183106	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-2H+K"	36.948606
"1558086"	795.183106	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+K-2H"	36.948606
"945969"	803.232694	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-H+HCOOH"	44.998194
"364550"	1561.467201	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+HCOOH-H"	44.998201
"360758"	1575.482851	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+Hac-H"	59.013851
"1504929"	817.248351	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Hac-H"	59.013851
"973206"	825.214651	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-H+NaCOOH"	66.980151
"125274"	793.203902	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+2Cl"	69.938804
"564224"	1172.321152	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+2Cl"	69.938804
"1035215"	414.086652	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2Cl"	69.938804
"1256575"	837.153385	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Br"	78.918885
"1317236"	839.209372	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Cl+HCOOH"	80.974872
"1326716"	861.191329	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Cl+NaCOOH"	102.956829
"918868"	871.220086	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M-H+CF3COOH"	112.985586
"1295577"	907.196764	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Cl+CF3COOH"	148.962264
"1374830"	723.221824	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H-2H2O"	-35.012676
"1391235"	741.2318	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H-H2O"	-17.0027
"296029"	1517.476276	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+H"	1.007276
"689544"	2275.710776	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+H"	1.007276
"1355321"	759.241776	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H"	1.007276
"130398"	759.241776	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+2H"	2.014552
"573967"	1138.359026	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+2H"	2.014552
"1047509"	380.124526	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2H"	2.014552
"212129"	506.496942666667	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+3H"	3.021828
"652782"	759.241776	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+3H"	3.021828
"1173099"	253.752109333333	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+3H"	3.021828
"436375"	1534.502823	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+NH4"	18.033823
"795183"	2292.737323	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+NH4"	18.033823
"1695888"	776.268323	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+NH4"	18.033823
"339791"	767.7550495	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+H+NH4"	19.041099
"734400"	1146.8722995	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+H+NH4"	19.041099
"1489314"	388.6377995	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H+NH4"	19.041099
"404717"	1539.458218	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+Na"	22.989218
"764617"	2297.692718	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+Na"	22.989218
"1614906"	781.223718	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Na"	22.989218
"323849"	770.232747	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+H+Na"	23.996494
"715178"	1149.349997	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+H+Na"	23.996494
"1471185"	391.115497	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H+Na"	23.996494
"1063338"	261.079423333333	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2H+Na"	25.00377
"1267201"	791.267986	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+CH3OH+H"	33.033486
"391123"	1555.432158	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+K"	38.963158
"752239"	2313.666658	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+K"	38.963158
"1542267"	797.197658	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+K"	38.963158
"310381"	778.219717	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+H+K"	39.970434
"705726"	1157.336967	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+H+K"	39.970434
"1459180"	399.102467	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H+K"	39.970434
"250823"	1558.502826	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+ACN+H"	42.033826
"1223043"	800.268326	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+ACN+H"	42.033826
"1205103"	400.637801	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+ACN+2H"	43.041102
"201260"	1561.44016	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+2Na-H"	44.97116
"637542"	2319.67466	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+2Na-H"	44.97116
"1137767"	803.20566	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2Na-H"	44.97116
"181057"	781.223718	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+2Na"	45.978436
"622804"	1160.340968	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+2Na"	45.978436
"1131013"	402.106468	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2Na"	45.978436
"1411899"	268.406737333333	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H+2Na"	46.985712
"1436481"	805.247246	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H+HCOOH"	47.012746
"226176"	786.25674	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+3H2O+2H"	56.04448
"1510228"	819.29929	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+IsoProp+H"	61.06479
"409914"	789.210688	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+Na+K"	61.952376
"771274"	1168.327938	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+Na+K"	61.952376
"1668333"	410.093438	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Na+K"	61.952376
"257769"	1580.484768	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+ACN+Na"	64.015768
"1237039"	822.250268	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+ACN+Na"	64.015768
"1718271"	822.273793	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+NH4+HCOOH"	64.039293
"1190187"	275.734051333333	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+3Na"	68.967654
"1651695"	827.229188	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Na+HCOOH"	68.994688
"171322"	1593.38804	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+2K-H"	76.91904
"609424"	2351.62254	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+2K-H"	76.91904
"1098310"	835.15354	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2K-H"	76.91904
"154764"	797.197658	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"2M+2K"	77.926316
"593958"	1176.314908	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"3M+2K"	77.926316
"1078838"	418.080408	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2K"	77.926316
"1113869"	837.168092	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2K+H"	78.933592
"1346970"	837.255707	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+DMSO+H"	79.021207
"1019877"	841.294876	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2ACN+H"	83.060376
"1538002"	842.288508	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+IsoProp+Na+H"	84.054008
"1005306"	421.151076	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+2ACN+2H"	84.067652
"1602361"	843.203128	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+K+HCOOH"	84.968628
"1429350"	873.234638	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+H+CF3COOH"	115.000138
"1162562"	441.664351	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+3ACN+2H"	125.094202
"1712473"	890.261185	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+NH4+CF3COOH"	132.026685
"1644473"	895.21658	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+Na+CF3COOH"	136.98208
"1580126"	911.19052	"C06488"	"XV638;4R-(4alpha5alpha6beta7beta)-33-Tetrahydro-56-dihydroxy-2-oxo-47-bis(phenylmethyl)-1H-13-diazepine-13(2H)-diylbis(methylene)bisN-2-thiazolylbenzamide"	"C41H38N6O5S2"	"758.2345"	"M+K+CF3COOH"	152.95602
"802348"	348.1241	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M"	0
"982934"	329.10571	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-H2O-H"	-19.01839
"73363"	231.075457333333	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M-3H"	-3.021828
"505268"	347.116824	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M-3H"	-3.021828
"880353"	115.034090666667	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-3H"	-3.021828
"181"	347.116824	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M-2H"	-2.014552
"440834"	521.178874	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M-2H"	-2.014552
"817919"	173.054774	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-2H"	-2.014552
"84471"	695.240924	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M-H"	-1.007276
"529500"	1043.365024	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M-H"	-1.007276
"899284"	347.116824	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-H"	-1.007276
"48920"	712.267471	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M-2H+NH4"	16.019271
"487619"	1060.391571	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M-2H+NH4"	16.019271
"867011"	364.143371	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-2H+NH4"	16.019271
"31746"	717.222866	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M-2H+Na"	20.974666
"471511"	1065.346966	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M-2H+Na"	20.974666
"848869"	369.098766	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-2H+Na"	20.974666
"1621801"	369.098766	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Na-2H"	20.974666
"95172"	365.105163	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M-H+Cl"	33.962126
"534978"	539.167213	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M-H+Cl"	33.962126
"927883"	191.043113	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-H+Cl"	33.962126
"268022"	731.217602	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+Cl"	34.969402
"660360"	1079.341702	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+Cl"	34.969402
"1273207"	383.093502	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Cl"	34.969402
"16371"	733.196806	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M-2H+K"	36.948606
"456292"	1081.320906	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M-2H+K"	36.948606
"835070"	385.072706	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-2H+K"	36.948606
"1559289"	385.072706	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+K-2H"	36.948606
"946078"	393.122294	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-H+HCOOH"	44.998194
"367577"	741.246401	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+HCOOH-H"	44.998201
"360827"	755.262051	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+Hac-H"	59.013851
"1506865"	407.137951	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Hac-H"	59.013851
"973567"	415.104251	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-H+NaCOOH"	66.980151
"125140"	383.093502	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+2Cl"	69.938804
"564464"	557.155552	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+2Cl"	69.938804
"1035693"	209.031452	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2Cl"	69.938804
"1254905"	427.042985	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Br"	78.918885
"1313700"	429.098972	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Cl+HCOOH"	80.974872
"1329011"	451.080929	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Cl+NaCOOH"	102.956829
"917885"	461.109686	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M-H+CF3COOH"	112.985586
"1295686"	497.086364	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Cl+CF3COOH"	148.962264
"1374940"	313.111424	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H-2H2O"	-35.012676
"1395720"	331.1214	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H-H2O"	-17.0027
"296501"	697.255476	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+H"	1.007276
"687466"	1045.379576	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+H"	1.007276
"1357617"	349.131376	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H"	1.007276
"132693"	349.131376	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+2H"	2.014552
"573347"	523.193426	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+2H"	2.014552
"1049442"	175.069326	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2H"	2.014552
"213332"	233.090009333333	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+3H"	3.021828
"653985"	349.131376	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+3H"	3.021828
"1173208"	117.048642666667	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+3H"	3.021828
"437214"	714.282023	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+NH4"	18.033823
"797480"	1062.406123	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+NH4"	18.033823
"1692722"	366.157923	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+NH4"	18.033823
"337712"	357.6446495	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+H+NH4"	19.041099
"735602"	531.7066995	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+H+NH4"	19.041099
"1487236"	183.5825995	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H+NH4"	19.041099
"396073"	719.237418	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+Na"	22.989218
"765820"	1067.361518	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+Na"	22.989218
"1615013"	371.113318	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Na"	22.989218
"323959"	360.122347	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+H+Na"	23.996494
"718568"	534.184397	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+H+Na"	23.996494
"1468015"	186.060297	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H+Na"	23.996494
"1065635"	124.375956666667	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2H+Na"	25.00377
"1268405"	381.157586	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+CH3OH+H"	33.033486
"386979"	735.211358	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+K"	38.963158
"751256"	1083.335458	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+K"	38.963158
"1546747"	387.087258	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+K"	38.963158
"305023"	368.109317	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+H+K"	39.970434
"701820"	542.171367	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+H+K"	39.970434
"1459898"	194.047267	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H+K"	39.970434
"247526"	738.282026	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+ACN+H"	42.033826
"1221694"	390.157926	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+ACN+H"	42.033826
"1204119"	195.582601	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+ACN+2H"	43.041102
"200277"	741.21936	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+2Na-H"	44.97116
"637651"	1089.34346	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+2Na-H"	44.97116
"1135689"	393.09526	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2Na-H"	44.97116
"180073"	371.113318	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+2Na"	45.978436
"621820"	545.175368	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+2Na"	45.978436
"1129336"	197.051268	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2Na"	45.978436
"1412737"	131.703270666667	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H+2Na"	46.985712
"1438048"	395.136846	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H+HCOOH"	47.012746
"227379"	376.14634	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+3H2O+2H"	56.04448
"1511431"	409.18889	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+IsoProp+H"	61.06479
"411481"	379.100288	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+Na+K"	61.952376
"771748"	553.162338	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+Na+K"	61.952376
"1668807"	205.038238	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Na+K"	61.952376
"260065"	760.263968	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+ACN+Na"	64.015768
"1237149"	412.139868	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+ACN+Na"	64.015768
"1718381"	412.163393	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+NH4+HCOOH"	64.039293
"1188475"	139.030584666667	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+3Na"	68.967654
"1652534"	417.118788	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Na+HCOOH"	68.994688
"169610"	773.16724	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+2K-H"	76.91904
"609536"	1121.29134	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+2K-H"	76.91904
"1097328"	425.04314	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2K-H"	76.91904
"151958"	387.087258	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"2M+2K"	77.926316
"591882"	561.149308	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"3M+2K"	77.926316
"1078948"	213.025208	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2K"	77.926316
"1112157"	427.057692	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2K+H"	78.933592
"1344530"	427.145307	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+DMSO+H"	79.021207
"1020716"	431.184476	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2ACN+H"	83.060376
"1537383"	432.178108	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+IsoProp+Na+H"	84.054008
"1002007"	216.095876	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+2ACN+2H"	84.067652
"1602471"	433.092728	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+K+HCOOH"	84.968628
"1427638"	463.124238	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+H+CF3COOH"	115.000138
"1161815"	236.609151	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+3ACN+2H"	125.094202
"1712094"	480.150785	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+NH4+CF3COOH"	132.026685
"1645676"	485.10618	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+Na+CF3COOH"	136.98208
"1580236"	501.08012	"C06489"	"Compound VII;5-(5-(6-Chloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C18H21ClN2O3"	"348.1241"	"M+K+CF3COOH"	152.95602
"810600"	314.163	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M"	0
"986326"	295.14461	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-H2O-H"	-19.01839
"75660"	208.434724	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M-3H"	-3.021828
"507569"	313.155724	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M-3H"	-3.021828
"881359"	103.713724	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-3H"	-3.021828
"172"	313.155724	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M-2H"	-2.014552
"440582"	470.237224	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M-2H"	-2.014552
"818271"	156.074224	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-2H"	-2.014552
"85676"	627.318724	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M-H"	-1.007276
"531434"	941.481724	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M-H"	-1.007276
"903042"	313.155724	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-H"	-1.007276
"49761"	644.345271	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M-2H+NH4"	16.019271
"490415"	958.508271	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M-2H+NH4"	16.019271
"865663"	330.182271	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-2H+NH4"	16.019271
"33199"	649.300666	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M-2H+Na"	20.974666
"472880"	963.463666	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M-2H+Na"	20.974666
"851291"	335.137666	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-2H+Na"	20.974666
"1621918"	335.137666	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Na-2H"	20.974666
"95409"	331.144063	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M-H+Cl"	33.962126
"537276"	488.225563	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M-H+Cl"	33.962126
"930429"	174.062563	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-H+Cl"	33.962126
"270078"	663.295402	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+Cl"	34.969402
"662011"	977.458402	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+Cl"	34.969402
"1279276"	349.132402	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Cl"	34.969402
"16848"	665.274606	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M-2H+K"	36.948606
"457501"	979.437606	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M-2H+K"	36.948606
"835910"	351.111606	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-2H+K"	36.948606
"1559761"	351.111606	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+K-2H"	36.948606
"947282"	359.161194	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-H+HCOOH"	44.998194
"365865"	673.324201	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+HCOOH-H"	44.998201
"360329"	687.339851	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+Hac-H"	59.013851
"1507343"	373.176851	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Hac-H"	59.013851
"974041"	381.143151	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-H+NaCOOH"	66.980151
"121965"	349.132402	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+2Cl"	69.938804
"564574"	506.213902	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+2Cl"	69.938804
"1032885"	192.050902	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2Cl"	69.938804
"1256909"	393.081885	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Br"	78.918885
"1319888"	395.137872	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Cl+HCOOH"	80.974872
"1333500"	417.119829	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Cl+NaCOOH"	102.956829
"923466"	427.148586	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M-H+CF3COOH"	112.985586
"1303091"	463.125264	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Cl+CF3COOH"	148.962264
"1381614"	279.150324	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H-2H2O"	-35.012676
"1395830"	297.1603	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H-H2O"	-17.0027
"296611"	629.333276	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+H"	1.007276
"687939"	943.496276	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+H"	1.007276
"1358821"	315.170276	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H"	1.007276
"132803"	315.170276	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+2H"	2.014552
"577832"	472.251776	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+2H"	2.014552
"1047727"	158.088776	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2H"	2.014552
"211253"	210.449276	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+3H"	3.021828
"647531"	315.170276	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+3H"	3.021828
"1177328"	105.728276	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+3H"	3.021828
"436598"	646.359823	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+NH4"	18.033823
"797592"	960.522823	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+NH4"	18.033823
"1695747"	332.196823	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+NH4"	18.033823
"342199"	323.6835495	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+H+NH4"	19.041099
"738307"	480.7650495	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+H+NH4"	19.041099
"1489531"	166.6020495	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H+NH4"	19.041099
"397276"	651.315218	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+Na"	22.989218
"768968"	965.478218	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+Na"	22.989218
"1618287"	337.152218	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Na"	22.989218
"329054"	326.161247	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+H+Na"	23.996494
"721474"	483.242747	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+H+Na"	23.996494
"1476268"	169.079747	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H+Na"	23.996494
"1065745"	113.05559	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2H+Na"	25.00377
"1272286"	347.196486	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+CH3OH+H"	33.033486
"392723"	667.289158	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+K"	38.963158
"753188"	981.452158	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+K"	38.963158
"1552324"	353.126158	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+K"	38.963158
"308413"	334.148217	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+H+K"	39.970434
"706189"	491.229717	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+H+K"	39.970434
"1458670"	177.066717	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H+K"	39.970434
"246540"	670.359826	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+ACN+H"	42.033826
"1220345"	356.196826	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+ACN+H"	42.033826
"1204229"	178.602051	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+ACN+2H"	43.041102
"189453"	673.29716	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+2Na-H"	44.97116
"633387"	987.46016	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+2Na-H"	44.97116
"1135800"	359.13416	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2Na-H"	44.97116
"180184"	337.152218	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+2Na"	45.978436
"620837"	494.233718	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+2Na"	45.978436
"1124342"	180.070718	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2Na"	45.978436
"1412362"	120.382904	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H+2Na"	46.985712
"1442897"	361.175746	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H+HCOOH"	47.012746
"225667"	342.18524	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+3H2O+2H"	56.04448
"1512999"	375.22779	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+IsoProp+H"	61.06479
"412685"	345.139188	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+Na+K"	61.952376
"774775"	502.220688	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+Na+K"	61.952376
"1672928"	188.057688	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Na+K"	61.952376
"264551"	692.341768	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+ACN+Na"	64.015768
"1237259"	378.178768	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+ACN+Na"	64.015768
"1722136"	378.202293	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+NH4+HCOOH"	64.039293
"1189314"	127.710218	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+3Na"	68.967654
"1653008"	383.157688	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Na+HCOOH"	68.994688
"170813"	705.24504	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+2K-H"	76.91904
"607456"	1019.40804	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+2K-H"	76.91904
"1098165"	391.08204	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2K-H"	76.91904
"153526"	353.126158	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"2M+2K"	77.926316
"594545"	510.207658	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"3M+2K"	77.926316
"1082466"	196.044658	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2K"	77.926316
"1114459"	393.096592	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2K+H"	78.933592
"1350111"	393.184207	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+DMSO+H"	79.021207
"1020951"	397.223376	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2ACN+H"	83.060376
"1539811"	398.217008	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+IsoProp+Na+H"	84.054008
"1005446"	199.115326	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+2ACN+2H"	84.067652
"1601360"	399.131628	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+K+HCOOH"	84.968628
"1428842"	429.163138	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+H+CF3COOH"	115.000138
"1161316"	219.628601	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+3ACN+2H"	125.094202
"1711230"	446.189685	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+NH4+CF3COOH"	132.026685
"1639225"	451.14508	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+Na+CF3COOH"	136.98208
"1580346"	467.11902	"C06490"	"WIN VI;WIN 52035;5-(5-(4-(45-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H22N2O3"	"314.163"	"M+K+CF3COOH"	152.95602
"802083"	472.1168	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M"	0
"987527"	453.09841	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-H2O-H"	-19.01839
"74676"	313.737257333333	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M-3H"	-3.021828
"516421"	471.109524	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M-3H"	-3.021828
"889850"	156.364990666667	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-3H"	-3.021828
"10615"	471.109524	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M-2H"	-2.014552
"441428"	707.167924	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M-2H"	-2.014552
"818139"	235.051124	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-2H"	-2.014552
"85786"	943.226324	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M-H"	-1.007276
"530451"	1415.343124	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M-H"	-1.007276
"898779"	471.109524	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-H"	-1.007276
"50966"	960.252871	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M-2H+NH4"	16.019271
"489796"	1432.369671	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M-2H+NH4"	16.019271
"864800"	488.136071	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-2H+NH4"	16.019271
"31971"	965.208266	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M-2H+Na"	20.974666
"473841"	1437.325066	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M-2H+Na"	20.974666
"850550"	493.091466	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-2H+Na"	20.974666
"1622028"	493.091466	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Na-2H"	20.974666
"100744"	489.097863	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M-H+Cl"	33.962126
"538116"	725.156263	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M-H+Cl"	33.962126
"933818"	253.039463	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-H+Cl"	33.962126
"271282"	979.203002	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+Cl"	34.969402
"664066"	1451.319802	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+Cl"	34.969402
"1280479"	507.086202	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Cl"	34.969402
"19756"	981.182206	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M-2H+K"	36.948606
"458219"	1453.299006	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M-2H+K"	36.948606
"837841"	509.065406	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-2H+K"	36.948606
"1562060"	509.065406	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+K-2H"	36.948606
"948487"	517.114994	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-H+HCOOH"	44.998194
"367800"	989.231801	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+HCOOH-H"	44.998201
"359710"	1003.247451	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+Hac-H"	59.013851
"1507693"	531.130651	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Hac-H"	59.013851
"971343"	539.096951	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-H+NaCOOH"	66.980151
"122440"	507.086202	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+2Cl"	69.938804
"564555"	743.144602	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+2Cl"	69.938804
"1030809"	271.027802	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2Cl"	69.938804
"1255125"	551.035685	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Br"	78.918885
"1318301"	553.091672	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Cl+HCOOH"	80.974872
"1332514"	575.073629	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Cl+NaCOOH"	102.956829
"923936"	585.102386	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M-H+CF3COOH"	112.985586
"1300279"	621.079064	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Cl+CF3COOH"	148.962264
"1377347"	437.104124	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H-2H2O"	-35.012676
"1396547"	455.1141	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H-H2O"	-17.0027
"297082"	945.240876	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+H"	1.007276
"689868"	1417.357676	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+H"	1.007276
"1364399"	473.124076	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H"	1.007276
"139113"	473.124076	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+2H"	2.014552
"576849"	709.182476	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+2H"	2.014552
"1048565"	237.065676	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2H"	2.014552
"209175"	315.751809333333	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+3H"	3.021828
"648735"	473.124076	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+3H"	3.021828
"1171233"	158.379542666667	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+3H"	3.021828
"433418"	962.267423	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+NH4"	18.033823
"796606"	1434.384223	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+NH4"	18.033823
"1694026"	490.150623	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+NH4"	18.033823
"341211"	481.6373495	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+H+NH4"	19.041099
"734725"	717.6957495	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+H+NH4"	19.041099
"1489640"	245.5789495	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H+NH4"	19.041099
"402852"	967.222818	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+Na"	22.989218
"757285"	1439.339618	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+Na"	22.989218
"1607570"	495.106018	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Na"	22.989218
"329864"	484.115047	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+H+Na"	23.996494
"722554"	720.173447	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+H+Na"	23.996494
"1476373"	248.056647	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H+Na"	23.996494
"1066827"	165.706856666667	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2H+Na"	25.00377
"1270815"	505.150286	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+CH3OH+H"	33.033486
"388292"	983.196758	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+K"	38.963158
"752569"	1455.313558	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+K"	38.963158
"1548060"	511.079958	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+K"	38.963158
"308523"	492.102017	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+H+K"	39.970434
"706545"	728.160417	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+H+K"	39.970434
"1458051"	256.043617	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H+K"	39.970434
"246650"	986.267426	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+ACN+H"	42.033826
"1220455"	514.150626	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+ACN+H"	42.033826
"1205068"	257.578951	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+ACN+2H"	43.041102
"192843"	989.20476	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+2Na-H"	44.97116
"636778"	1461.32156	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+2Na-H"	44.97116
"1135909"	517.08796	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2Na-H"	44.97116
"181387"	495.106018	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+2Na"	45.978436
"622040"	731.164418	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+2Na"	45.978436
"1124452"	259.047618	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2Na"	45.978436
"1412836"	173.034170666667	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H+2Na"	46.985712
"1442277"	519.129546	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H+HCOOH"	47.012746
"225777"	500.13904	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+3H2O+2H"	56.04448
"1515662"	533.18159	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+IsoProp+H"	61.06479
"414619"	503.092988	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+Na+K"	61.952376
"773426"	739.151388	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+Na+K"	61.952376
"1673402"	267.034588	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Na+K"	61.952376
"263567"	1008.249368	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+ACN+Na"	64.015768
"1231901"	536.132568	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+ACN+Na"	64.015768
"1718965"	536.156093	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+NH4+HCOOH"	64.039293
"1186507"	180.361484666667	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+3Na"	68.967654
"1653847"	541.111488	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Na+HCOOH"	68.994688
"168368"	1021.15264	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+2K-H"	76.91904
"601004"	1493.26944	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+2K-H"	76.91904
"1092808"	549.03584	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2K-H"	76.91904
"144886"	511.079958	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"2M+2K"	77.926316
"592833"	747.138358	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"3M+2K"	77.926316
"1081355"	275.021558	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2K"	77.926316
"1112378"	551.050392	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2K+H"	78.933592
"1346211"	551.138007	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+DMSO+H"	79.021207
"1016198"	555.177176	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2ACN+H"	83.060376
"1537238"	556.170808	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+IsoProp+Na+H"	84.054008
"1003323"	278.092226	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+2ACN+2H"	84.067652
"1601593"	557.085428	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+K+HCOOH"	84.968628
"1428587"	587.116938	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+H+CF3COOH"	115.000138
"1160697"	298.605501	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+3ACN+2H"	125.094202
"1711339"	604.143485	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+NH4+CF3COOH"	132.026685
"1639335"	609.09888	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+Na+CF3COOH"	136.98208
"1580456"	625.07282	"C06491"	"Compound WIN VIII;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole"	"C21H26Cl2N2O6"	"472.1168"	"M+K+CF3COOH"	152.95602
"803165"	390.171	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M"	0
"989459"	371.15261	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-H2O-H"	-19.01839
"75880"	259.106724	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M-3H"	-3.021828
"516531"	389.163724	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M-3H"	-3.021828
"889960"	129.049724	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-3H"	-3.021828
"7443"	389.163724	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M-2H"	-2.014552
"447005"	584.249224	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M-2H"	-2.014552
"818613"	194.078224	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-2H"	-2.014552
"88084"	779.334724	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M-H"	-1.007276
"530561"	1169.505724	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M-H"	-1.007276
"899982"	389.163724	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-H"	-1.007276
"52169"	796.361271	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M-2H+NH4"	16.019271
"489906"	1186.532271	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M-2H+NH4"	16.019271
"865275"	406.190271	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-2H+NH4"	16.019271
"35243"	801.316666	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M-2H+Na"	20.974666
"472249"	1191.487666	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M-2H+Na"	20.974666
"849443"	411.145666	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-2H+Na"	20.974666
"1621045"	411.145666	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Na-2H"	20.974666
"99761"	407.152063	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M-H+Cl"	33.962126
"536161"	602.237563	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M-H+Cl"	33.962126
"931741"	212.066563	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-H+Cl"	33.962126
"272482"	815.311402	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+Cl"	34.969402
"664174"	1205.482402	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+Cl"	34.969402
"1276215"	425.140402	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Cl"	34.969402
"17310"	817.290606	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M-2H+K"	36.948606
"456992"	1207.461606	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M-2H+K"	36.948606
"834793"	427.119606	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-2H+K"	36.948606
"1559617"	427.119606	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+K-2H"	36.948606
"945316"	435.169194	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-H+HCOOH"	44.998194
"367910"	825.340201	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+HCOOH-H"	44.998201
"357632"	839.355851	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+Hac-H"	59.013851
"1507559"	449.184851	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Hac-H"	59.013851
"970358"	457.151151	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-H+NaCOOH"	66.980151
"124006"	425.140402	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+2Cl"	69.938804
"564299"	620.225902	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+2Cl"	69.938804
"1035657"	230.054902	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2Cl"	69.938804
"1255600"	469.089885	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Br"	78.918885
"1318409"	471.145872	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Cl+HCOOH"	80.974872
"1332624"	493.127829	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Cl+NaCOOH"	102.956829
"925139"	503.156586	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M-H+CF3COOH"	112.985586
"1302943"	539.133264	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Cl+CF3COOH"	148.962264
"1376000"	355.158324	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H-2H2O"	-35.012676
"1392766"	373.1683	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H-H2O"	-17.0027
"292453"	781.349276	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+H"	1.007276
"682687"	1171.520276	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+H"	1.007276
"1362323"	391.178276	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H"	1.007276
"137035"	391.178276	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+2H"	2.014552
"571492"	586.263776	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+2H"	2.014552
"1044664"	196.092776	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2H"	2.014552
"208191"	261.121276	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+3H"	3.021828
"647752"	391.178276	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+3H"	3.021828
"1166969"	131.064276	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+3H"	3.021828
"432435"	798.375823	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+NH4"	18.033823
"796715"	1188.546823	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+NH4"	18.033823
"1691949"	408.204823	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+NH4"	18.033823
"340229"	399.6915495	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+H+NH4"	19.041099
"737022"	594.7770495	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+H+NH4"	19.041099
"1488658"	204.6060495	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H+NH4"	19.041099
"399683"	803.331218	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+Na"	22.989218
"759584"	1193.502218	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+Na"	22.989218
"1605857"	413.160218	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Na"	22.989218
"329800"	402.169247	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+H+Na"	23.996494
"721329"	597.254747	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+H+Na"	23.996494
"1476242"	207.083747	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H+Na"	23.996494
"1064507"	138.39159	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2H+Na"	25.00377
"1267281"	423.204486	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+CH3OH+H"	33.033486
"388402"	819.305158	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+K"	38.963158
"751585"	1209.476158	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+K"	38.963158
"1549263"	429.134158	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+K"	38.963158
"300613"	410.156217	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+H+K"	39.970434
"706893"	605.241717	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+H+K"	39.970434
"1459255"	215.070717	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H+K"	39.970434
"245667"	822.375826	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+ACN+H"	42.033826
"1220565"	432.204826	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+ACN+H"	42.033826
"1207001"	216.606051	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+ACN+2H"	43.041102
"192953"	825.31316	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+2Na-H"	44.97116
"636888"	1215.48416	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+2Na-H"	44.97116
"1133832"	435.14216	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2Na-H"	44.97116
"181497"	413.160218	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+2Na"	45.978436
"621057"	608.245718	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+2Na"	45.978436
"1124562"	218.074718	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2Na"	45.978436
"1413067"	145.718904	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H+2Na"	46.985712
"1440200"	437.183746	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H+HCOOH"	47.012746
"227710"	418.19324	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+3H2O+2H"	56.04448
"1515772"	451.23579	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+IsoProp+H"	61.06479
"412179"	421.147188	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+Na+K"	61.952376
"774264"	616.232688	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+Na+K"	61.952376
"1671689"	226.061688	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Na+K"	61.952376
"264771"	844.357768	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+ACN+Na"	64.015768
"1229823"	454.186768	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+ACN+Na"	64.015768
"1719803"	454.210293	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+NH4+HCOOH"	64.039293
"1186253"	153.046218	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+3Na"	68.967654
"1653957"	459.165688	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Na+HCOOH"	68.994688
"165928"	857.26104	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+2K-H"	76.91904
"601842"	1247.43204	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+2K-H"	76.91904
"1092918"	467.09004	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2K-H"	76.91904
"148276"	429.134158	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"2M+2K"	77.926316
"592943"	624.219658	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"3M+2K"	77.926316
"1081829"	234.048658	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2K"	77.926316
"1112852"	469.104592	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2K+H"	78.933592
"1347050"	469.192207	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+DMSO+H"	79.021207
"1018860"	473.231376	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2ACN+H"	83.060376
"1538442"	474.225008	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+IsoProp+Na+H"	84.054008
"1004042"	237.119326	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+2ACN+2H"	84.067652
"1601461"	475.139628	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+K+HCOOH"	84.968628
"1428697"	505.171138	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+H+CF3COOH"	115.000138
"1161536"	257.632601	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+3ACN+2H"	125.094202
"1711449"	522.197685	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+NH4+CF3COOH"	132.026685
"1640539"	527.15308	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+Na+CF3COOH"	136.98208
"1583846"	543.12702	"C06492"	"Compound II(RS);5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole"	"C21H27ClN2O3"	"390.171"	"M+K+CF3COOH"	152.95602
"802182"	382.0851	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M"	0
"987746"	363.06671	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-H2O-H"	-19.01839
"77692"	253.716124	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M-3H"	-3.021828
"516641"	381.077824	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M-3H"	-3.021828
"890070"	126.354424	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-3H"	-3.021828
"7553"	381.077824	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M-2H"	-2.014552
"447115"	572.120374	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M-2H"	-2.014552
"821639"	190.035274	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-2H"	-2.014552
"91110"	763.162924	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M-H"	-1.007276
"530671"	1145.248024	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M-H"	-1.007276
"905559"	381.077824	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-H"	-1.007276
"52279"	780.189471	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M-2H+NH4"	16.019271
"490380"	1162.274571	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M-2H+NH4"	16.019271
"867453"	398.104371	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-2H+NH4"	16.019271
"35353"	785.144866	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M-2H+Na"	20.974666
"474911"	1167.229966	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M-2H+Na"	20.974666
"850162"	403.059766	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-2H+Na"	20.974666
"1622249"	403.059766	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Na-2H"	20.974666
"97684"	399.066163	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M-H+Cl"	33.962126
"538335"	590.108713	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M-H+Cl"	33.962126
"934036"	208.023613	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-H+Cl"	33.962126
"273685"	799.139602	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+Cl"	34.969402
"663918"	1181.224702	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+Cl"	34.969402
"1277415"	417.054502	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Cl"	34.969402
"16449"	801.118806	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M-2H+K"	36.948606
"457709"	1183.203906	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M-2H+K"	36.948606
"835512"	419.033706	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-2H+K"	36.948606
"1559725"	419.033706	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+K-2H"	36.948606
"947609"	427.083294	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-H+HCOOH"	44.998194
"368017"	809.168401	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+HCOOH-H"	44.998201
"356281"	823.184051	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+Hac-H"	59.013851
"1505116"	441.098951	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Hac-H"	59.013851
"970104"	449.065251	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-H+NaCOOH"	66.980151
"123752"	417.054502	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+2Cl"	69.938804
"563312"	608.097052	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+2Cl"	69.938804
"1036130"	226.011952	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2Cl"	69.938804
"1255343"	461.003985	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Br"	78.918885
"1316331"	463.059972	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Cl+HCOOH"	80.974872
"1332733"	485.041929	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Cl+NaCOOH"	102.956829
"922697"	495.070686	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M-H+CF3COOH"	112.985586
"1301958"	531.047364	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Cl+CF3COOH"	148.962264
"1376110"	347.072424	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H-2H2O"	-35.012676
"1391783"	365.0824	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H-H2O"	-17.0027
"292562"	765.177476	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+H"	1.007276
"687535"	1147.262576	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+H"	1.007276
"1360245"	383.092376	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H"	1.007276
"130949"	383.092376	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+2H"	2.014552
"571602"	574.134926	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+2H"	2.014552
"1043681"	192.049826	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2H"	2.014552
"208301"	255.730676	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+3H"	3.021828
"644454"	383.092376	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+3H"	3.021828
"1163310"	128.368976	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+3H"	3.021828
"432545"	782.204023	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+NH4"	18.033823
"796825"	1164.289123	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+NH4"	18.033823
"1690967"	400.118923	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+NH4"	18.033823
"340339"	391.6056495	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+H+NH4"	19.041099
"734946"	582.6481995	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+H+NH4"	19.041099
"1484395"	200.5630995	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H+NH4"	19.041099
"397970"	787.159418	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+Na"	22.989218
"759694"	1169.244518	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+Na"	22.989218
"1603780"	405.074318	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Na"	22.989218
"328406"	394.083347	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+H+Na"	23.996494
"722045"	585.125897	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+H+Na"	23.996494
"1475985"	203.040797	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H+Na"	23.996494
"1064978"	135.69629	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2H+Na"	25.00377
"1268843"	415.118586	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+CH3OH+H"	33.033486
"387418"	803.133358	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+K"	38.963158
"749506"	1185.218458	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+K"	38.963158
"1552288"	421.048258	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+K"	38.963158
"300359"	402.070317	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+H+K"	39.970434
"707030"	593.112867	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+H+K"	39.970434
"1460094"	211.027767	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H+K"	39.970434
"246872"	806.204026	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+ACN+H"	42.033826
"1222134"	424.118926	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+ACN+H"	42.033826
"1204558"	212.563101	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+ACN+2H"	43.041102
"196345"	809.14136	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+2Na-H"	44.97116
"642465"	1191.22646	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+2Na-H"	44.97116
"1142691"	427.05626	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2Na-H"	44.97116
"187684"	405.074318	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+2Na"	45.978436
"625542"	596.116868	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+2Na"	45.978436
"1129047"	214.031768	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2Na"	45.978436
"1412569"	143.023604	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H+2Na"	46.985712
"1443226"	429.097846	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H+HCOOH"	47.012746
"228913"	410.10734	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+3H2O+2H"	56.04448
"1516976"	443.14989	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+IsoProp+H"	61.06479
"413017"	413.061288	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+Na+K"	61.952376
"774374"	604.103838	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+Na+K"	61.952376
"1670706"	222.018738	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Na+K"	61.952376
"264881"	828.185968	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+ACN+Na"	64.015768
"1232120"	446.100868	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+ACN+Na"	64.015768
"1717727"	446.124393	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+NH4+HCOOH"	64.039293
"1186363"	150.350918	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+3Na"	68.967654
"1655525"	451.079788	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Na+HCOOH"	68.994688
"167495"	841.08924	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+2K-H"	76.91904
"601588"	1223.17434	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+2K-H"	76.91904
"1093756"	459.00414	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2K-H"	76.91904
"148386"	421.048258	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"2M+2K"	77.926316
"592324"	612.090808	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"3M+2K"	77.926316
"1079753"	230.005708	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2K"	77.926316
"1112963"	461.018692	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2K+H"	78.933592
"1348253"	461.106307	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+DMSO+H"	79.021207
"1017877"	465.145476	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2ACN+H"	83.060376
"1536730"	466.139108	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+IsoProp+Na+H"	84.054008
"1004761"	233.076376	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+2ACN+2H"	84.067652
"1601325"	467.053728	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+K+HCOOH"	84.968628
"1428442"	497.085238	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+H+CF3COOH"	115.000138
"1160917"	253.589651	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+3ACN+2H"	125.094202
"1711559"	514.111785	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+NH4+CF3COOH"	132.026685
"1639556"	519.06718	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+Na+CF3COOH"	136.98208
"1583956"	535.04112	"C06493"	"WIN54954;5-(5-(26-Dichloro-4-(45-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole"	"C18H20Cl2N2O3"	"382.0851"	"M+K+CF3COOH"	152.95602
"804479"	328.1787	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M"	0
"987856"	309.16031	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-H2O-H"	-19.01839
"78044"	217.778524	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M-3H"	-3.021828
"515658"	327.171424	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M-3H"	-3.021828
"895041"	108.385624	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-3H"	-3.021828
"7663"	327.171424	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M-2H"	-2.014552
"447224"	491.260774	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M-2H"	-2.014552
"817121"	163.082074	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-2H"	-2.014552
"83928"	655.350124	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M-H"	-1.007276
"528594"	983.528824	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M-H"	-1.007276
"904575"	327.171424	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-H"	-1.007276
"52389"	672.376671	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M-2H+NH4"	16.019271
"489761"	1000.555371	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M-2H+NH4"	16.019271
"864327"	344.197971	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-2H+NH4"	16.019271
"33276"	677.332066	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M-2H+Na"	20.974666
"471615"	1005.510766	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M-2H+Na"	20.974666
"849543"	349.153366	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-2H+Na"	20.974666
"1621265"	349.153366	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Na-2H"	20.974666
"95971"	345.159763	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M-H+Cl"	33.962126
"536258"	509.249113	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M-H+Cl"	33.962126
"933054"	181.070413	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-H+Cl"	33.962126
"271610"	691.326802	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+Cl"	34.969402
"662207"	1019.505502	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+Cl"	34.969402
"1276434"	363.148102	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Cl"	34.969402
"16112"	693.306006	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M-2H+K"	36.948606
"455991"	1021.484706	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M-2H+K"	36.948606
"833435"	365.127306	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-2H+K"	36.948606
"1556270"	365.127306	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+K-2H"	36.948606
"944804"	373.176894	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-H+HCOOH"	44.998194
"370314"	701.355601	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+HCOOH-H"	44.998201
"355296"	715.371251	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+Hac-H"	59.013851
"1504130"	387.192551	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Hac-H"	59.013851
"969122"	395.158851	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-H+NaCOOH"	66.980151
"123498"	363.148102	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+2Cl"	69.938804
"564151"	527.237452	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+2Cl"	69.938804
"1035876"	199.058752	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2Cl"	69.938804
"1255454"	407.097585	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Br"	78.918885
"1316077"	409.153572	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Cl+HCOOH"	80.974872
"1334667"	431.135529	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Cl+NaCOOH"	102.956829
"922807"	441.164286	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M-H+CF3COOH"	112.985586
"1301340"	477.140964	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Cl+CF3COOH"	148.962264
"1378407"	293.166024	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H-2H2O"	-35.012676
"1392986"	311.176	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H-H2O"	-17.0027
"290485"	657.364676	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+H"	1.007276
"688739"	985.543376	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+H"	1.007276
"1363635"	329.185976	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H"	1.007276
"131059"	329.185976	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+2H"	2.014552
"569525"	493.275326	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+2H"	2.014552
"1043791"	165.096626	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2H"	2.014552
"208411"	219.793076	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+3H"	3.021828
"645784"	329.185976	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+3H"	3.021828
"1167187"	110.400176	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+3H"	3.021828
"434843"	674.391223	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+NH4"	18.033823
"796936"	1002.569923	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+NH4"	18.033823
"1692171"	346.212523	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+NH4"	18.033823
"336076"	337.6992495	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+H+NH4"	19.041099
"731776"	501.7885995	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+H+NH4"	19.041099
"1483412"	173.6098995	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H+NH4"	19.041099
"397716"	679.346618	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+Na"	22.989218
"758711"	1007.525318	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+Na"	22.989218
"1604619"	351.167918	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Na"	22.989218
"328883"	340.176947	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+H+Na"	23.996494
"721184"	504.266297	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+H+Na"	23.996494
"1473665"	176.087597	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H+Na"	23.996494
"1065453"	117.72749	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2H+Na"	25.00377
"1267859"	361.212186	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+CH3OH+H"	33.033486
"387528"	695.320558	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+K"	38.963158
"749616"	1023.499258	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+K"	38.963158
"1552762"	367.141858	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+K"	38.963158
"300469"	348.163917	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+H+K"	39.970434
"706875"	512.253267	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+H+K"	39.970434
"1459475"	184.074567	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H+K"	39.970434
"245887"	698.391226	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+ACN+H"	42.033826
"1222244"	370.212526	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+ACN+H"	42.033826
"1204304"	185.609901	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+ACN+2H"	43.041102
"199735"	701.32856	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+2Na-H"	44.97116
"640388"	1029.50726	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+2Na-H"	44.97116
"1142801"	373.14986	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2Na-H"	44.97116
"184999"	351.167918	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+2Na"	45.978436
"624559"	515.257268	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+2Na"	45.978436
"1126971"	187.078568	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2Na"	45.978436
"1411586"	125.054804	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H+2Na"	46.985712
"1443336"	375.191446	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H+HCOOH"	47.012746
"226837"	356.20094	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+3H2O+2H"	56.04448
"1515993"	389.24349	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+IsoProp+H"	61.06479
"414586"	359.154888	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+Na+K"	61.952376
"772663"	523.244238	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+Na+K"	61.952376
"1668994"	195.065538	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Na+K"	61.952376
"262805"	720.373168	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+ACN+Na"	64.015768
"1231138"	392.194468	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+ACN+Na"	64.015768
"1717837"	392.217993	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+NH4+HCOOH"	64.039293
"1186473"	132.382118	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+3Na"	68.967654
"1655270"	397.173388	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Na+HCOOH"	68.994688
"166511"	733.27644	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+2K-H"	76.91904
"601699"	1061.45514	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+2K-H"	76.91904
"1093866"	405.09774	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2K-H"	76.91904
"147402"	367.141858	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"2M+2K"	77.926316
"593163"	531.231208	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"3M+2K"	77.926316
"1082050"	203.052508	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2K"	77.926316
"1113073"	407.112292	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2K+H"	78.933592
"1349945"	407.199907	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+DMSO+H"	79.021207
"1019445"	411.239076	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2ACN+H"	83.060376
"1538662"	412.232708	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+IsoProp+Na+H"	84.054008
"1004750"	206.123176	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+2ACN+2H"	84.067652
"1602165"	413.147328	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+K+HCOOH"	84.968628
"1429605"	443.178838	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+H+CF3COOH"	115.000138
"1161027"	226.636451	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+3ACN+2H"	125.094202
"1711548"	460.205385	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+NH4+CF3COOH"	132.026685
"1639666"	465.16078	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+Na+CF3COOH"	136.98208
"1584066"	481.13472	"C06494"	"Compound V(S);5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole"	"C19H24N2O3"	"328.1787"	"M+K+CF3COOH"	152.95602
"804589"	370.2256	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M"	0
"987966"	351.20721	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-H2O-H"	-19.01839
"77792"	245.809790666667	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M-3H"	-3.021828
"514674"	369.218324	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M-3H"	-3.021828
"894910"	122.401257333333	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-3H"	-3.021828
"5586"	369.218324	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M-2H"	-2.014552
"444053"	554.331124	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M-2H"	-2.014552
"818087"	184.105524	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-2H"	-2.014552
"84038"	739.443924	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M-H"	-1.007276
"529797"	1109.669524	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M-H"	-1.007276
"903592"	369.218324	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-H"	-1.007276
"54685"	756.470471	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M-2H+NH4"	16.019271
"487433"	1126.696071	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M-2H+NH4"	16.019271
"864548"	386.244871	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-2H+NH4"	16.019271
"34479"	761.425866	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M-2H+Na"	20.974666
"474038"	1131.651466	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M-2H+Na"	20.974666
"850139"	391.200266	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-2H+Na"	20.974666
"1618671"	391.200266	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Na-2H"	20.974666
"95716"	387.206663	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M-H+Cl"	33.962126
"535275"	572.319463	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M-H+Cl"	33.962126
"933163"	202.093863	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-H+Cl"	33.962126
"272813"	775.420602	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+Cl"	34.969402
"665233"	1145.646202	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+Cl"	34.969402
"1277636"	405.195002	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Cl"	34.969402
"16790"	777.399806	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M-2H+K"	36.948606
"457687"	1147.625406	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M-2H+K"	36.948606
"841930"	407.174206	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-2H+K"	36.948606
"1557153"	407.174206	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+K-2H"	36.948606
"951113"	415.223794	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-H+HCOOH"	44.998194
"368236"	785.449401	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+HCOOH-H"	44.998201
"356867"	799.465051	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+Hac-H"	59.013851
"1499863"	429.239451	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Hac-H"	59.013851
"968500"	437.205751	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-H+NaCOOH"	66.980151
"119232"	405.195002	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+2Cl"	69.938804
"559155"	590.307802	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+2Cl"	69.938804
"1035738"	220.082202	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2Cl"	69.938804
"1255928"	449.144485	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Br"	78.918885
"1318252"	451.200472	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Cl+HCOOH"	80.974872
"1334169"	473.182429	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Cl+NaCOOH"	102.956829
"919638"	483.211186	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M-H+CF3COOH"	112.985586
"1298533"	519.187864	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Cl+CF3COOH"	148.962264
"1377788"	335.212924	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H-2H2O"	-35.012676
"1392002"	353.2229	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H-H2O"	-17.0027
"296792"	741.458476	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+H"	1.007276
"689942"	1111.684076	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+H"	1.007276
"1364837"	371.232876	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H"	1.007276
"129345"	371.232876	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+2H"	2.014552
"571822"	556.345676	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+2H"	2.014552
"1039891"	186.120076	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2H"	2.014552
"205968"	247.824342666667	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+3H"	3.021828
"645891"	371.232876	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+3H"	3.021828
"1167298"	124.415809333333	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+3H"	3.021828
"436046"	758.485023	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+NH4"	18.033823
"797046"	1128.710623	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+NH4"	18.033823
"1691189"	388.259423	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+NH4"	18.033823
"336187"	379.7461495	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+H+NH4"	19.041099
"730793"	564.8589495	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+H+NH4"	19.041099
"1483522"	194.6333495	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H+NH4"	19.041099
"400013"	763.440418	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+Na"	22.989218
"762100"	1133.666018	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+Na"	22.989218
"1609102"	393.214818	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Na"	22.989218
"329722"	382.223847	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+H+Na"	23.996494
"721294"	567.336647	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+H+Na"	23.996494
"1476572"	197.111047	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H+Na"	23.996494
"1063009"	131.743123333333	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2H+Na"	25.00377
"1266874"	403.259086	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+CH3OH+H"	33.033486
"388731"	779.414358	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+K"	38.963158
"743164"	1149.639958	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+K"	38.963158
"1552872"	409.188758	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+K"	38.963158
"305675"	390.210817	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+H+K"	39.970434
"698103"	575.323617	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+H+K"	39.970434
"1458491"	205.098017	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H+K"	39.970434
"247819"	782.485026	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+ACN+H"	42.033826
"1221626"	412.259426	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+ACN+H"	42.033826
"1206235"	206.633351	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+ACN+2H"	43.041102
"201669"	785.42236	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+2Na-H"	44.97116
"640498"	1155.64796	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+2Na-H"	44.97116
"1140725"	415.19676	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2Na-H"	44.97116
"184015"	393.214818	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+2Na"	45.978436
"621388"	578.327618	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+2Na"	45.978436
"1125987"	208.102018	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2Na"	45.978436
"1409876"	139.070437333333	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H+2Na"	46.985712
"1441626"	417.238346	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H+HCOOH"	47.012746
"226946"	398.24784	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+3H2O+2H"	56.04448
"1512823"	431.29039	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+IsoProp+H"	61.06479
"412144"	401.201788	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+Na+K"	61.952376
"773501"	586.314588	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+Na+K"	61.952376
"1668739"	216.088988	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Na+K"	61.952376
"258540"	804.466968	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+ACN+Na"	64.015768
"1233434"	434.241368	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+ACN+Na"	64.015768
"1716853"	434.264893	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+NH4+HCOOH"	64.039293
"1186583"	146.397751333333	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+3Na"	68.967654
"1655380"	439.220288	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Na+HCOOH"	68.994688
"160424"	817.37024	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+2K-H"	76.91904
"600715"	1187.59584	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+2K-H"	76.91904
"1092154"	447.14464	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2K-H"	76.91904
"145325"	409.188758	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"2M+2K"	77.926316
"592177"	594.301558	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"3M+2K"	77.926316
"1078513"	224.075958	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2K"	77.926316
"1110632"	449.159192	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2K+H"	78.933592
"1348473"	449.246807	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+DMSO+H"	79.021207
"1017369"	453.285976	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2ACN+H"	83.060376
"1535857"	454.279608	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+IsoProp+Na+H"	84.054008
"1004130"	227.146626	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+2ACN+2H"	84.067652
"1602275"	455.194228	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+K+HCOOH"	84.968628
"1428297"	485.225738	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+H+CF3COOH"	115.000138
"1154574"	247.659901	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+3ACN+2H"	125.094202
"1708498"	502.252285	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+NH4+CF3COOH"	132.026685
"1640869"	507.20768	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+Na+CF3COOH"	136.98208
"1584176"	523.18162	"C06495"	"Compound III(S);5-(7-(4-(4-Ethyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C22H30N2O3"	"370.2256"	"M+K+CF3COOH"	152.95602
"802876"	342.1943	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M"	0
"988076"	323.17591	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-H2O-H"	-19.01839
"75228"	227.122257333333	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M-3H"	-3.021828
"512597"	341.187024	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M-3H"	-3.021828
"888211"	113.057490666667	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-3H"	-3.021828
"7883"	341.187024	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M-2H"	-2.014552
"442341"	512.284174	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M-2H"	-2.014552
"818689"	170.089874	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-2H"	-2.014552
"84148"	683.381324	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M-H"	-1.007276
"531366"	1025.575624	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M-H"	-1.007276
"903702"	341.187024	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-H"	-1.007276
"50421"	700.407871	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M-2H+NH4"	16.019271
"487908"	1042.602171	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M-2H+NH4"	16.019271
"865958"	358.213571	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-2H+NH4"	16.019271
"38963"	705.363266	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M-2H+Na"	20.974666
"475241"	1047.557566	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M-2H+Na"	20.974666
"853044"	363.168966	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-2H+Na"	20.974666
"1619536"	363.168966	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Na-2H"	20.974666
"98013"	359.175363	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M-H+Cl"	33.962126
"536479"	530.272513	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M-H+Cl"	33.962126
"933273"	188.078213	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-H+Cl"	33.962126
"272923"	719.358002	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+Cl"	34.969402
"664249"	1061.552302	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+Cl"	34.969402
"1278839"	377.163702	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Cl"	34.969402
"17265"	721.337206	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M-2H+K"	36.948606
"456334"	1063.531506	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M-2H+K"	36.948606
"842040"	379.142906	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-2H+K"	36.948606
"1556778"	379.142906	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+K-2H"	36.948606
"951223"	387.192494	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-H+HCOOH"	44.998194
"370533"	729.386801	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+HCOOH-H"	44.998201
"355517"	743.402451	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+Hac-H"	59.013851
"1499607"	401.208151	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Hac-H"	59.013851
"966418"	409.174451	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-H+NaCOOH"	66.980151
"119338"	377.163702	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+2Cl"	69.938804
"557076"	548.260852	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+2Cl"	69.938804
"1030255"	206.066552	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2Cl"	69.938804
"1254576"	421.113185	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Br"	78.918885
"1318239"	423.169172	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Cl+HCOOH"	80.974872
"1333061"	445.151129	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Cl+NaCOOH"	102.956829
"920841"	455.179886	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M-H+CF3COOH"	112.985586
"1299736"	491.156564	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Cl+CF3COOH"	148.962264
"1377898"	307.181624	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H-2H2O"	-35.012676
"1386646"	325.1916	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H-H2O"	-17.0027
"287425"	685.395876	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+H"	1.007276
"683126"	1027.590176	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+H"	1.007276
"1362761"	343.201576	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H"	1.007276
"129091"	343.201576	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+2H"	2.014552
"570837"	514.298726	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+2H"	2.014552
"1039637"	172.104426	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2H"	2.014552
"204417"	229.136809333333	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+3H"	3.021828
"644783"	343.201576	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+3H"	3.021828
"1164129"	115.072042666667	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+3H"	3.021828
"435792"	702.422423	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+NH4"	18.033823
"797886"	1044.616723	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+NH4"	18.033823
"1690206"	360.228123	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+NH4"	18.033823
"334839"	351.7148495	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+H+NH4"	19.041099
"731267"	522.8119995	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+H+NH4"	19.041099
"1483632"	180.6176995	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H+NH4"	19.041099
"399030"	707.377818	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+Na"	22.989218
"759658"	1049.572118	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+Na"	22.989218
"1606296"	365.183518	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Na"	22.989218
"329100"	354.192547	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+H+Na"	23.996494
"720431"	525.289697	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+H+Na"	23.996494
"1473158"	183.095397	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H+Na"	23.996494
"1063119"	122.399356666667	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2H+Na"	25.00377
"1264797"	375.227786	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+CH3OH+H"	33.033486
"386655"	723.351758	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+K"	38.963158
"742181"	1065.546058	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+K"	38.963158
"1551889"	381.157458	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+K"	38.963158
"304691"	362.179517	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+H+K"	39.970434
"692008"	533.276667	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+H+K"	39.970434
"1458601"	191.082367	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H+K"	39.970434
"247568"	726.422426	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+ACN+H"	42.033826
"1221736"	384.228126	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+ACN+H"	42.033826
"1207683"	192.617701	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+ACN+2H"	43.041102
"203239"	729.35976	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+2Na-H"	44.97116
"640608"	1071.55406	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+2Na-H"	44.97116
"1143021"	387.16546	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2Na-H"	44.97116
"185583"	365.183518	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+2Na"	45.978436
"621498"	536.280668	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+2Na"	45.978436
"1129017"	194.086368	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2Na"	45.978436
"1409255"	129.726670666667	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H+2Na"	46.985712
"1441736"	389.207046	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H+HCOOH"	47.012746
"227056"	370.21654	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+3H2O+2H"	56.04448
"1515120"	403.25909	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+IsoProp+H"	61.06479
"413712"	373.170488	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+Na+K"	61.952376
"772518"	544.267638	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+Na+K"	61.952376
"1671036"	202.073338	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Na+K"	61.952376
"258650"	748.404368	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+ACN+Na"	64.015768
"1234637"	406.210068	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+ACN+Na"	64.015768
"1716963"	406.233593	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+NH4+HCOOH"	64.039293
"1186330"	137.053984666667	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+3Na"	68.967654
"1657676"	411.188988	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Na+HCOOH"	68.994688
"164545"	761.30764	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+2K-H"	76.91904
"599732"	1103.50194	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+2K-H"	76.91904
"1094816"	419.11334	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2K-H"	76.91904
"148715"	381.157458	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"2M+2K"	77.926316
"593746"	552.254608	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"3M+2K"	77.926316
"1081540"	210.060308	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2K"	77.926316
"1113657"	421.127892	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2K+H"	78.933592
"1349315"	421.215507	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+DMSO+H"	79.021207
"1019061"	425.254676	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2ACN+H"	83.060376
"1537789"	426.248308	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+IsoProp+Na+H"	84.054008
"1004483"	213.130976	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+2ACN+2H"	84.067652
"1602266"	427.162928	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+K+HCOOH"	84.968628
"1429136"	457.194438	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+H+CF3COOH"	115.000138
"1154684"	233.644251	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+3ACN+2H"	125.094202
"1708608"	474.220985	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+NH4+CF3COOH"	132.026685
"1640979"	479.17638	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+Na+CF3COOH"	136.98208
"1584286"	495.15032	"C06496"	"Compound IV;5-(7-(4-(45-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Disoxaril"	"C20H26N2O3"	"342.1943"	"M+K+CF3COOH"	152.95602
"808090"	356.21	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M"	0
"989039"	337.19161	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-H2O-H"	-19.01839
"77972"	236.466057333333	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M-3H"	-3.021828
"514894"	355.202724	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M-3H"	-3.021828
"888321"	117.729390666667	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-3H"	-3.021828
"7993"	355.202724	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M-2H"	-2.014552
"450832"	533.307724	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M-2H"	-2.014552
"825353"	177.097724	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-2H"	-2.014552
"87532"	711.412724	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M-H"	-1.007276
"528189"	1067.622724	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M-H"	-1.007276
"902719"	355.202724	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-H"	-1.007276
"56000"	728.439271	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M-2H+NH4"	16.019271
"492278"	1084.649271	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M-2H+NH4"	16.019271
"871172"	372.229271	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-2H+NH4"	16.019271
"42353"	733.394666	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M-2H+Na"	20.974666
"476445"	1089.604666	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M-2H+Na"	20.974666
"850968"	377.184666	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-2H+Na"	20.974666
"1620866"	377.184666	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Na-2H"	20.974666
"99219"	373.191063	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M-H+Cl"	33.962126
"537683"	551.296063	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M-H+Cl"	33.962126
"931196"	195.086063	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-H+Cl"	33.962126
"271939"	747.389402	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+Cl"	34.969402
"666546"	1103.599402	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+Cl"	34.969402
"1276764"	391.179402	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Cl"	34.969402
"17255"	749.368606	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M-2H+K"	36.948606
"456040"	1105.578606	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M-2H+K"	36.948606
"842150"	393.158606	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-2H+K"	36.948606
"1556888"	393.158606	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+K-2H"	36.948606
"951333"	401.208194	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-H+HCOOH"	44.998194
"370644"	757.418201	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+HCOOH-H"	44.998201
"351253"	771.433851	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+Hac-H"	59.013851
"1496803"	415.223851	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Hac-H"	59.013851
"963249"	423.190151	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-H+NaCOOH"	66.980151
"117624"	391.179402	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+2Cl"	69.938804
"558279"	569.284402	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+2Cl"	69.938804
"1029272"	213.074402	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2Cl"	69.938804
"1253592"	435.128885	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Br"	78.918885
"1316404"	437.184872	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Cl+HCOOH"	80.974872
"1333537"	459.166829	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Cl+NaCOOH"	102.956829
"919858"	469.195586	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M-H+CF3COOH"	112.985586
"1298753"	505.172264	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Cl+CF3COOH"	148.962264
"1375822"	321.197324	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H-2H2O"	-35.012676
"1386756"	339.2073	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H-H2O"	-17.0027
"290451"	713.427276	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+H"	1.007276
"681049"	1069.637276	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+H"	1.007276
"1358497"	357.217276	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H"	1.007276
"125920"	357.217276	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+2H"	2.014552
"565717"	535.322276	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+2H"	2.014552
"1037123"	179.112276	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2H"	2.014552
"204299"	238.480609333333	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+3H"	3.021828
"645385"	357.217276	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+3H"	3.021828
"1166428"	119.743942666667	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+3H"	3.021828
"425689"	730.453823	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+NH4"	18.033823
"797265"	1086.663823	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+NH4"	18.033823
"1692138"	374.243823	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+NH4"	18.033823
"336408"	365.7305495	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+H+NH4"	19.041099
"733203"	543.8355495	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+H+NH4"	19.041099
"1484836"	187.6255495	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H+NH4"	19.041099
"401328"	735.409218	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+Na"	22.989218
"759042"	1091.619218	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+Na"	22.989218
"1605678"	379.199218	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Na"	22.989218
"327025"	368.208247	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+H+Na"	23.996494
"719448"	546.313247	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+H+Na"	23.996494
"1473268"	190.103247	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H+Na"	23.996494
"1063230"	127.071256666667	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2H+Na"	25.00377
"1268188"	389.243486	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+CH3OH+H"	33.033486
"388952"	751.383158	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+K"	38.963158
"742291"	1107.593158	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+K"	38.963158
"1546531"	395.173158	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+K"	38.963158
"305895"	376.195217	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+H+K"	39.970434
"692846"	554.300217	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+H+K"	39.970434
"1459075"	198.090217	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H+K"	39.970434
"246219"	754.453826	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+ACN+H"	42.033826
"1221115"	398.243826	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+ACN+H"	42.033826
"1206090"	199.625551	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+ACN+2H"	43.041102
"203106"	757.39116	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+2Na-H"	44.97116
"641693"	1113.60116	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+2Na-H"	44.97116
"1143862"	401.18116	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2Na-H"	44.97116
"185329"	379.199218	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+2Na"	45.978436
"621607"	557.304218	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+2Na"	45.978436
"1127667"	201.094218	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2Na"	45.978436
"1410822"	134.398570666667	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H+2Na"	46.985712
"1443302"	403.222746	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H+HCOOH"	47.012746
"229353"	384.23224	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+3H2O+2H"	56.04448
"1514136"	417.27479	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+IsoProp+H"	61.06479
"413822"	387.186188	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+Na+K"	61.952376
"775907"	565.291188	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+Na+K"	61.952376
"1671874"	209.081188	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Na+K"	61.952376
"258759"	776.435768	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+ACN+Na"	64.015768
"1232561"	420.225768	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+ACN+Na"	64.015768
"1718166"	420.249293	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+NH4+HCOOH"	64.039293
"1184616"	141.725884666667	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+3Na"	68.967654
"1656693"	425.204688	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Na+HCOOH"	68.994688
"165747"	789.33904	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+2K-H"	76.91904
"603122"	1145.54904	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+2K-H"	76.91904
"1094195"	433.12904	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2K-H"	76.91904
"148825"	395.173158	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"2M+2K"	77.926316
"592033"	573.278158	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"3M+2K"	77.926316
"1077275"	217.068158	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2K"	77.926316
"1111944"	435.143592	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2K+H"	78.933592
"1349423"	435.231207	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+DMSO+H"	79.021207
"1019292"	439.270376	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2ACN+H"	83.060376
"1537535"	440.264008	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+IsoProp+Na+H"	84.054008
"1004960"	220.138826	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+2ACN+2H"	84.067652
"1600670"	441.178628	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+K+HCOOH"	84.968628
"1424505"	471.210138	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+H+CF3COOH"	115.000138
"1155886"	240.652101	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+3ACN+2H"	125.094202
"1699969"	488.236685	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+NH4+CF3COOH"	132.026685
"1636715"	493.19208	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+Na+CF3COOH"	136.98208
"1584396"	509.16602	"C06497"	"WIN I(S);WIN 52084 (S);5-(7-(4-(4-Methyl-45-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole"	"C21H28N2O3"	"356.21"	"M+K+CF3COOH"	152.95602
"804919"	354.0538	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M"	0
"989148"	335.03541	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-H2O-H"	-19.01839
"75445"	235.028590666667	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M-3H"	-3.021828
"515004"	353.046524	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M-3H"	-3.021828
"888431"	117.010657333333	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-3H"	-3.021828
"10290"	353.046524	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M-2H"	-2.014552
"452765"	530.073424	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M-2H"	-2.014552
"825463"	176.019624	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-2H"	-2.014552
"88736"	707.100324	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M-H"	-1.007276
"529391"	1061.154124	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M-H"	-1.007276
"909025"	353.046524	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-H"	-1.007276
"56110"	724.126871	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M-2H+NH4"	16.019271
"494575"	1078.180671	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M-2H+NH4"	16.019271
"871282"	370.073071	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-2H+NH4"	16.019271
"40277"	729.082266	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M-2H+Na"	20.974666
"482022"	1083.136066	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M-2H+Na"	20.974666
"851442"	375.028466	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-2H+Na"	20.974666
"1620612"	375.028466	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Na-2H"	20.974666
"98600"	371.034863	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M-H+Cl"	33.962126
"538887"	548.061763	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M-H+Cl"	33.962126
"936775"	194.007963	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-H+Cl"	33.962126
"275332"	743.077002	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+Cl"	34.969402
"665565"	1097.130802	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+Cl"	34.969402
"1284894"	389.023202	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Cl"	34.969402
"19432"	745.056206	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M-2H+K"	36.948606
"460085"	1099.110006	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M-2H+K"	36.948606
"836793"	391.002406	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-2H+K"	36.948606
"1561374"	391.002406	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+K-2H"	36.948606
"944882"	399.051994	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-H+HCOOH"	44.998194
"365287"	753.105801	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+HCOOH-H"	44.998201
"351363"	767.121451	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+Hac-H"	59.013851
"1496916"	413.067651	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Hac-H"	59.013851
"963359"	421.033951	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-H+NaCOOH"	66.980151
"115548"	389.023202	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+2Cl"	69.938804
"557295"	566.050102	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+2Cl"	69.938804
"1029382"	211.996302	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2Cl"	69.938804
"1251150"	432.972685	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Br"	78.918885
"1312504"	435.028672	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Cl+HCOOH"	80.974872
"1331094"	457.010629	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Cl+NaCOOH"	102.956829
"919967"	467.039386	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M-H+CF3COOH"	112.985586
"1293396"	503.016064	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Cl+CF3COOH"	148.962264
"1375932"	319.041124	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H-2H2O"	-35.012676
"1386866"	337.0511	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H-H2O"	-17.0027
"289832"	709.114876	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+H"	1.007276
"680066"	1063.168676	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+H"	1.007276
"1359700"	355.061076	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H"	1.007276
"126759"	355.061076	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+2H"	2.014552
"566194"	532.087976	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+2H"	2.014552
"1037217"	178.034176	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2H"	2.014552
"204460"	237.043142666667	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+3H"	3.021828
"645859"	355.061076	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+3H"	3.021828
"1167631"	119.025209333333	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+3H"	3.021828
"425435"	726.141423	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+NH4"	18.033823
"798468"	1080.195223	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+NH4"	18.033823
"1690426"	372.087623	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+NH4"	18.033823
"340894"	363.5743495	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+H+NH4"	19.041099
"733313"	540.6012495	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+H+NH4"	19.041099
"1484946"	186.5474495	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H+NH4"	19.041099
"400344"	731.096818	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+Na"	22.989218
"757328"	1085.150618	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+Na"	22.989218
"1605422"	377.043018	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Na"	22.989218
"324945"	366.052047	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+H+Na"	23.996494
"718464"	543.078947	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+H+Na"	23.996494
"1471193"	189.025147	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H+Na"	23.996494
"1064434"	126.352523333333	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2H+Na"	25.00377
"1268300"	387.087286	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+CH3OH+H"	33.033486
"390154"	747.070758	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+K"	38.963158
"747870"	1101.124558	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+K"	38.963158
"1546641"	393.016958	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+K"	38.963158
"307098"	374.039017	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+H+K"	39.970434
"692957"	551.065917	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+H+K"	39.970434
"1459913"	197.012117	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H+K"	39.970434
"245235"	750.141426	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+ACN+H"	42.033826
"1219038"	396.087626	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+ACN+H"	42.033826
"1206200"	198.547451	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+ACN+2H"	43.041102
"204136"	753.07876	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+2Na-H"	44.97116
"642286"	1107.13256	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+2Na-H"	44.97116
"1143605"	399.02496	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2Na-H"	44.97116
"182156"	377.043018	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+2Na"	45.978436
"623904"	554.069918	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+2Na"	45.978436
"1124127"	200.016118	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2Na"	45.978436
"1413850"	133.679837333333	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H+2Na"	46.985712
"1444141"	401.066546	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H+HCOOH"	47.012746
"229463"	382.07604	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+3H2O+2H"	56.04448
"1516432"	415.11859	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+IsoProp+H"	61.06479
"415024"	385.029988	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+Na+K"	61.952376
"774923"	562.056888	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+Na+K"	61.952376
"1671257"	208.003088	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Na+K"	61.952376
"257777"	772.123368	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+ACN+Na"	64.015768
"1233764"	418.069568	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+ACN+Na"	64.015768
"1717911"	418.093093	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+NH4+HCOOH"	64.039293
"1184727"	141.007151333333	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+3Na"	68.967654
"1655710"	423.048488	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Na+HCOOH"	68.994688
"165857"	785.02664	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+2K-H"	76.91904
"605419"	1139.08044	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+2K-H"	76.91904
"1091025"	430.97284	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2K-H"	76.91904
"151851"	393.016958	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"2M+2K"	77.926316
"592871"	570.043858	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"3M+2K"	77.926316
"1077385"	215.990058	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2K"	77.926316
"1112418"	432.987392	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2K+H"	78.933592
"1349895"	433.075007	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+DMSO+H"	79.021207
"1019520"	437.114176	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2ACN+H"	83.060376
"1539344"	438.107808	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+IsoProp+Na+H"	84.054008
"1005188"	219.060726	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+2ACN+2H"	84.067652
"1597864"	439.022428	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+K+HCOOH"	84.968628
"1424615"	469.053938	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+H+CF3COOH"	115.000138
"1154903"	239.574001	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+3ACN+2H"	125.094202
"1705548"	486.080485	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+NH4+CF3COOH"	132.026685
"1634997"	491.03588	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+Na+CF3COOH"	136.98208
"1584506"	507.00982	"C06499"	"WIN56291;5-(3-(26-Dichloro-4-(45-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole"	"C16H16Cl2N2O3"	"354.0538"	"M+K+CF3COOH"	152.95602
"801990"	521.0114	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M"	0
"989379"	501.99301	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-H2O-H"	-19.01839
"73368"	346.333657333333	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M-3H"	-3.021828
"514021"	520.004124	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M-3H"	-3.021828
"888541"	172.663190666667	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-3H"	-3.021828
"14408"	520.004124	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M-2H"	-2.014552
"451052"	780.509824	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M-2H"	-2.014552
"822293"	259.498424	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-2H"	-2.014552
"86659"	1041.015524	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M-H"	-1.007276
"528408"	1562.026924	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M-H"	-1.007276
"906219"	520.004124	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-H"	-1.007276
"58406"	1058.042071	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M-2H+NH4"	16.019271
"493592"	1579.053471	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M-2H+NH4"	16.019271
"871392"	537.030671	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-2H+NH4"	16.019271
"36013"	1062.997466	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M-2H+Na"	20.974666
"478852"	1584.008866	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M-2H+Na"	20.974666
"851188"	541.986066	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-2H+Na"	20.974666
"1621815"	541.986066	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Na-2H"	20.974666
"100532"	537.992463	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M-H+Cl"	33.962126
"538997"	798.498163	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M-H+Cl"	33.962126
"934699"	277.486763	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-H+Cl"	33.962126
"275442"	1076.992202	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+Cl"	34.969402
"668953"	1598.003602	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+Cl"	34.969402
"1282817"	555.980802	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Cl"	34.969402
"20635"	1078.971406	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M-2H+K"	36.948606
"460195"	1599.982806	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M-2H+K"	36.948606
"835809"	557.960006	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-2H+K"	36.948606
"1559297"	557.960006	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+K-2H"	36.948606
"950460"	566.009594	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-H+HCOOH"	44.998194
"367584"	1087.021001	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+HCOOH-H"	44.998201
"352566"	1101.036651	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+Hac-H"	59.013851
"1497025"	580.025251	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Hac-H"	59.013851
"964561"	587.991551	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-H+NaCOOH"	66.980151
"115656"	555.980802	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+2Cl"	69.938804
"561415"	816.486502	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+2Cl"	69.938804
"1028757"	295.475102	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2Cl"	69.938804
"1250164"	599.930285	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Br"	78.918885
"1307508"	601.986272	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Cl+HCOOH"	80.974872
"1330112"	623.968229	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Cl+NaCOOH"	102.956829
"916796"	633.996986	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M-H+CF3COOH"	112.985586
"1292411"	669.973664	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Cl+CF3COOH"	148.962264
"1376042"	485.998724	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H-2H2O"	-35.012676
"1386976"	504.0087	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H-H2O"	-17.0027
"289942"	1043.030076	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+H"	1.007276
"686736"	1564.041476	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+H"	1.007276
"1359809"	522.018676	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H"	1.007276
"129419"	522.018676	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+2H"	2.014552
"572261"	782.524376	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+2H"	2.014552
"1037532"	261.512976	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2H"	2.014552
"206408"	348.348209333333	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+3H"	3.021828
"645725"	522.018676	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+3H"	3.021828
"1169929"	174.677742666667	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+3H"	3.021828
"426274"	1060.056623	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+NH4"	18.033823
"798215"	1581.068023	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+NH4"	18.033823
"1690536"	539.045223	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+NH4"	18.033823
"339908"	530.5319495	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+H+NH4"	19.041099
"733423"	791.0376495	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+H+NH4"	19.041099
"1486149"	270.0262495	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H+NH4"	19.041099
"403370"	1065.012018	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+Na"	22.989218
"762542"	1586.023418	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+Na"	22.989218
"1606629"	544.000618	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Na"	22.989218
"325055"	533.009647	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+H+Na"	23.996494
"718941"	793.515347	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+H+Na"	23.996494
"1471303"	272.503947	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H+Na"	23.996494
"1064544"	182.005056666667	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2H+Na"	25.00377
"1268410"	554.044886	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+CH3OH+H"	33.033486
"383702"	1080.985958	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+K"	38.963158
"747980"	1601.997358	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+K"	38.963158
"1546751"	559.974558	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+K"	38.963158
"302834"	540.996617	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+H+K"	39.970434
"695253"	801.502317	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+H+K"	39.970434
"1458566"	280.490917	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H+K"	39.970434
"245345"	1084.056626	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+ACN+H"	42.033826
"1219148"	563.045226	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+ACN+H"	42.033826
"1205218"	282.026251	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+ACN+2H"	43.041102
"203895"	1086.99396	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+2Na-H"	44.97116
"640939"	1608.00536	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+2Na-H"	44.97116
"1142257"	565.98256	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2Na-H"	44.97116
"178986"	544.000618	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+2Na"	45.978436
"617453"	804.506318	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+2Na"	45.978436
"1122050"	283.494918	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2Na"	45.978436
"1409584"	189.332370666667	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H+2Na"	46.985712
"1442065"	568.024146	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H+HCOOH"	47.012746
"228479"	549.03364	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+3H2O+2H"	56.04448
"1512533"	582.07619	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+IsoProp+H"	61.06479
"412946"	551.987588	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+Na+K"	61.952376
"773938"	812.493288	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+Na+K"	61.952376
"1673554"	291.481888	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Na+K"	61.952376
"257887"	1106.038568	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+ACN+Na"	64.015768
"1231686"	585.027168	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+ACN+Na"	64.015768
"1717656"	585.050693	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+NH4+HCOOH"	64.039293
"1183744"	196.659684666667	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+3Na"	68.967654
"1655818"	590.006088	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Na+HCOOH"	68.994688
"159406"	1118.94184	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+2K-H"	76.91904
"605529"	1639.95324	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+2K-H"	76.91904
"1090041"	597.93044	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2K-H"	76.91904
"151597"	559.974558	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"2M+2K"	77.926316
"590793"	820.480258	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"3M+2K"	77.926316
"1077494"	299.468858	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2K"	77.926316
"1113986"	599.944992	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2K+H"	78.933592
"1349886"	600.032607	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+DMSO+H"	79.021207
"1020238"	604.071776	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2ACN+H"	83.060376
"1539699"	605.065408	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+IsoProp+Na+H"	84.054008
"1003470"	302.539526	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+2ACN+2H"	84.067652
"1597974"	605.980028	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+K+HCOOH"	84.968628
"1424725"	636.011538	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+H+CF3COOH"	115.000138
"1155013"	323.052801	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+3ACN+2H"	125.094202
"1705658"	653.038085	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+NH4+CF3COOH"	132.026685
"1634500"	657.99348	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+Na+CF3COOH"	136.98208
"1584616"	673.96742	"C06500"	"5-Guanylylmethylenebisphosphonate;5-Guanosyl-methylene-triphosphate"	"C11H18N5O13P3"	"521.0114"	"M+K+CF3COOH"	152.95602
"805139"	261.0402	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M"	0
"989368"	242.02181	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-H2O-H"	-19.01839
"75665"	173.019524	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M-3H"	-3.021828
"513038"	260.032924	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M-3H"	-3.021828
"888651"	86.006124	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-3H"	-3.021828
"13425"	260.032924	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M-2H"	-2.014552
"451162"	390.553024	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M-2H"	-2.014552
"822403"	129.512824	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-2H"	-2.014552
"86769"	521.073124	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M-H"	-1.007276
"529247"	782.113324	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M-H"	-1.007276
"909003"	260.032924	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-H"	-1.007276
"58516"	538.099671	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M-2H+NH4"	16.019271
"491515"	799.139871	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M-2H+NH4"	16.019271
"873689"	277.059471	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-2H+NH4"	16.019271
"38310"	543.055066	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M-2H+Na"	20.974666
"476775"	804.095266	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M-2H+Na"	20.974666
"854579"	282.014866	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-2H+Na"	20.974666
"1619372"	282.014866	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Na-2H"	20.974666
"100643"	278.021263	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M-H+Cl"	33.962126
"539108"	408.541363	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M-H+Cl"	33.962126
"931529"	147.501163	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-H+Cl"	33.962126
"273366"	557.049802	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+Cl"	34.969402
"667970"	818.090002	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+Cl"	34.969402
"1280375"	296.009602	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Cl"	34.969402
"20745"	559.029006	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M-2H+K"	36.948606
"460303"	820.069206	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M-2H+K"	36.948606
"835190"	297.988806	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-2H+K"	36.948606
"1558313"	297.988806	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+K-2H"	36.948606
"947286"	306.038394	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-H+HCOOH"	44.998194
"367692"	567.078601	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+HCOOH-H"	44.998201
"350489"	581.094251	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+Hac-H"	59.013851
"1496042"	320.054051	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Hac-H"	59.013851
"965765"	328.020351	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-H+NaCOOH"	66.980151
"117955"	296.009602	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+2Cl"	69.938804
"560797"	426.529702	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+2Cl"	69.938804
"1028868"	165.489502	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2Cl"	69.938804
"1246994"	339.959085	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Br"	78.918885
"1309076"	342.015072	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Cl+HCOOH"	80.974872
"1329128"	363.997029	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Cl+NaCOOH"	102.956829
"915812"	374.025786	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M-H+CF3COOH"	112.985586
"1293613"	410.002464	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Cl+CF3COOH"	148.962264
"1371777"	226.027524	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H-2H2O"	-35.012676
"1385992"	244.0375	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H-H2O"	-17.0027
"293331"	523.087676	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+H"	1.007276
"686845"	784.127876	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+H"	1.007276
"1359919"	262.047476	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H"	1.007276
"132808"	262.047476	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+2H"	2.014552
"571274"	392.567576	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+2H"	2.014552
"1040440"	131.527376	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2H"	2.014552
"206519"	175.034076	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+3H"	3.021828
"644660"	262.047476	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+3H"	3.021828
"1173319"	88.020676	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+3H"	3.021828
"426384"	540.114223	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+NH4"	18.033823
"800634"	801.154423	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+NH4"	18.033823
"1691739"	279.074023	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+NH4"	18.033823
"344392"	270.5607495	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+H+NH4"	19.041099
"735720"	401.0808495	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+H+NH4"	19.041099
"1487353"	140.0406495	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H+NH4"	19.041099
"406030"	545.069618	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+Na"	22.989218
"764841"	806.109818	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+Na"	22.989218
"1612939"	284.029418	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Na"	22.989218
"324072"	273.038447	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+H+Na"	23.996494
"720143"	403.558547	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+H+Na"	23.996494
"1472505"	142.518347	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H+Na"	23.996494
"1064654"	95.34799	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2H+Na"	25.00377
"1267426"	294.073686	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+CH3OH+H"	33.033486
"382719"	561.043558	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+K"	38.963158
"748090"	822.083758	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+K"	38.963158
"1550142"	300.003358	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+K"	38.963158
"304038"	281.025417	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+H+K"	39.970434
"695365"	411.545517	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+H+K"	39.970434
"1456492"	150.505317	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H+K"	39.970434
"245456"	564.114226	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+ACN+H"	42.033826
"1223999"	303.074026	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+ACN+H"	42.033826
"1207883"	152.040651	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+ACN+2H"	43.041102
"204029"	567.05156	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+2Na-H"	44.97116
"642264"	828.09176	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+2Na-H"	44.97116
"1137994"	306.01136	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2Na-H"	44.97116
"180190"	284.029418	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+2Na"	45.978436
"619750"	414.549518	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+2Na"	45.978436
"1127995"	153.509318	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2Na"	45.978436
"1412127"	102.675304	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H+2Na"	46.985712
"1443755"	308.052946	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H+HCOOH"	47.012746
"231869"	289.06244	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+3H2O+2H"	56.04448
"1514466"	322.10499	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+IsoProp+H"	61.06479
"414152"	292.016388	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+Na+K"	61.952376
"774049"	422.536488	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+Na+K"	61.952376
"1673665"	161.496288	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Na+K"	61.952376
"260183"	586.096168	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+ACN+Na"	64.015768
"1232162"	325.055968	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+ACN+Na"	64.015768
"1719590"	325.079493	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+NH4+HCOOH"	64.039293
"1184580"	110.002618	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+3Na"	68.967654
"1655199"	330.034888	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Na+HCOOH"	68.994688
"161703"	598.99944	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+2K-H"	76.91904
"603453"	860.03964	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+2K-H"	76.91904
"1092338"	337.95924	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2K-H"	76.91904
"150248"	300.003358	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"2M+2K"	77.926316
"589810"	430.523458	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"3M+2K"	77.926316
"1077604"	169.483258	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2K"	77.926316
"1112881"	339.973792	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2K+H"	78.933592
"1348293"	340.061407	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+DMSO+H"	79.021207
"1018890"	344.100576	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2ACN+H"	83.060376
"1539324"	345.094208	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+IsoProp+Na+H"	84.054008
"1005285"	172.553926	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+2ACN+2H"	84.067652
"1602218"	346.008828	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+K+HCOOH"	84.968628
"1429835"	376.040338	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+H+CF3COOH"	115.000138
"1162585"	193.067201	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+3ACN+2H"	125.094202
"1705768"	393.066885	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+NH4+CF3COOH"	132.026685
"1640325"	398.02228	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+Na+CF3COOH"	136.98208
"1584726"	413.99622	"C06501"	"Phosphotyrosine;Phosphonotyrosine"	"C9H12NO6P"	"261.0402"	"M+K+CF3COOH"	152.95602
"801969"	153.0651	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M"	0
"989520"	134.04671	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-H2O-H"	-19.01839
"73588"	101.036124	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M-3H"	-3.021828
"510960"	152.057824	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M-3H"	-3.021828
"889854"	50.014424	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-3H"	-3.021828
"8432"	152.057824	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M-2H"	-2.014552
"444712"	228.590374	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M-2H"	-2.014552
"819232"	75.525274	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-2H"	-2.014552
"79581"	305.122924	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M-H"	-1.007276
"522066"	458.188024	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M-H"	-1.007276
"911018"	152.057824	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-H"	-1.007276
"58626"	322.149471	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M-2H+NH4"	16.019271
"491625"	475.214571	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M-2H+NH4"	16.019271
"873435"	169.084371	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-2H+NH4"	16.019271
"38420"	327.104866	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M-2H+Na"	20.974666
"481988"	480.169966	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M-2H+Na"	20.974666
"854690"	174.039766	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-2H+Na"	20.974666
"1620454"	174.039766	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Na-2H"	20.974666
"100753"	170.046163	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M-H+Cl"	33.962126
"541404"	246.578713	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M-H+Cl"	33.962126
"933826"	93.513613	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-H+Cl"	33.962126
"275663"	341.099602	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+Cl"	34.969402
"665894"	494.164702	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+Cl"	34.969402
"1280485"	188.034502	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Cl"	34.969402
"23042"	343.078806	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M-2H+K"	36.948606
"461506"	496.143906	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M-2H+K"	36.948606
"836757"	190.013706	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-2H+K"	36.948606
"1559516"	190.013706	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+K-2H"	36.948606
"946667"	198.063294	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-H+HCOOH"	44.998194
"367802"	351.128401	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+HCOOH-H"	44.998201
"348773"	365.144051	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+Hac-H"	59.013851
"1501611"	212.078951	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Hac-H"	59.013851
"964053"	220.045251	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-H+NaCOOH"	66.980151
"116972"	188.034502	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+2Cl"	69.938804
"557624"	264.567052	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+2Cl"	69.938804
"1027518"	111.501952	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2Cl"	69.938804
"1243823"	231.983985	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Br"	78.918885
"1309548"	234.039972	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Cl+HCOOH"	80.974872
"1322676"	256.021929	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Cl+NaCOOH"	102.956829
"913736"	266.050686	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M-H+CF3COOH"	112.985586
"1289715"	302.027364	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Cl+CF3COOH"	148.962264
"1369699"	118.052424	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H-2H2O"	-35.012676
"1383912"	136.0624	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H-H2O"	-17.0027
"286881"	307.137476	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+H"	1.007276
"679301"	460.202576	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+H"	1.007276
"1360029"	154.072376	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H"	1.007276
"131825"	154.072376	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+2H"	2.014552
"571384"	230.604926	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+2H"	2.014552
"1041277"	77.539826	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2H"	2.014552
"206993"	103.050676	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+3H"	3.021828
"644851"	154.072376	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+3H"	3.021828
"1172336"	52.028976	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+3H"	3.021828
"424794"	324.164023	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+NH4"	18.033823
"798800"	477.229123	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+NH4"	18.033823
"1690756"	171.098923	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+NH4"	18.033823
"344502"	162.5856495	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+H+NH4"	19.041099
"734737"	239.1181995	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+H+NH4"	19.041099
"1488556"	86.0530995	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H+NH4"	19.041099
"406140"	329.119418	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+Na"	22.989218
"764950"	482.184518	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+Na"	22.989218
"1614142"	176.054318	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Na"	22.989218
"324182"	165.063347	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+H+Na"	23.996494
"718793"	241.595897	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+H+Na"	23.996494
"1475893"	88.530797	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H+Na"	23.996494
"1064764"	59.35629	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2H+Na"	25.00377
"1266443"	186.098586	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+CH3OH+H"	33.033486
"383922"	345.093358	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+K"	38.963158
"747105"	498.158458	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+K"	38.963158
"1548065"	192.028258	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+K"	38.963158
"306335"	173.050317	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+H+K"	39.970434
"695474"	249.582867	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+H+K"	39.970434
"1458058"	96.517767	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H+K"	39.970434
"247755"	348.164026	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+ACN+H"	42.033826
"1224841"	195.098926	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+ACN+H"	42.033826
"1208357"	98.053101	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+ACN+2H"	43.041102
"202935"	351.10136	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+2Na-H"	44.97116
"640063"	504.16646	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+2Na-H"	44.97116
"1137011"	198.03626	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2Na-H"	44.97116
"179205"	176.054318	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+2Na"	45.978436
"616580"	252.586868	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+2Na"	45.978436
"1125552"	99.521768	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2Na"	45.978436
"1411628"	66.683604	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H+2Na"	46.985712
"1442649"	200.077846	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H+HCOOH"	47.012746
"227606"	181.08734	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+3H2O+2H"	56.04448
"1512388"	214.12989	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+IsoProp+H"	61.06479
"412438"	184.041288	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+Na+K"	61.952376
"775251"	260.573838	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+Na+K"	61.952376
"1670856"	107.508738	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Na+K"	61.952376
"256644"	370.145968	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+ACN+Na"	64.015768
"1231904"	217.080868	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+ACN+Na"	64.015768
"1719700"	217.104393	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+NH4+HCOOH"	64.039293
"1183229"	74.010918	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+3Na"	68.967654
"1649899"	222.059788	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Na+HCOOH"	68.994688
"161813"	383.04924	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+2K-H"	76.91904
"605749"	536.11434	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+2K-H"	76.91904
"1090261"	229.98414	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2K-H"	76.91904
"148172"	192.028258	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"2M+2K"	77.926316
"591743"	268.560808	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"3M+2K"	77.926316
"1079901"	115.495708	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2K"	77.926316
"1110926"	231.998692	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2K+H"	78.933592
"1347310"	232.086307	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+DMSO+H"	79.021207
"1018028"	236.125476	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2ACN+H"	83.060376
"1538218"	237.119108	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+IsoProp+Na+H"	84.054008
"1005275"	118.566376	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+2ACN+2H"	84.067652
"1602084"	238.033728	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+K+HCOOH"	84.968628
"1428228"	268.065238	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+H+CF3COOH"	115.000138
"1161311"	139.079651	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+3ACN+2H"	125.094202
"1705878"	285.091785	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+NH4+CF3COOH"	132.026685
"1640435"	290.04718	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+Na+CF3COOH"	136.98208
"1584836"	306.02112	"C06502"	"46-Diamino-5-formamidopyrimidine;46-Diamino-5-N-formamidopyrimidine"	"C5H7N5O"	"153.0651"	"M+K+CF3COOH"	152.95602
"808640"	878.4426	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M"	0
"989466"	859.42421	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-H2O-H"	-19.01839
"77709"	584.621124	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M-3H"	-3.021828
"513258"	877.435324	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M-3H"	-3.021828
"888871"	291.806924	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-3H"	-3.021828
"6355"	877.435324	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M-2H"	-2.014552
"444822"	1316.656624	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M-2H"	-2.014552
"819342"	438.214024	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-2H"	-2.014552
"79210"	1755.877924	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M-H"	-1.007276
"526551"	2634.320524	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M-H"	-1.007276
"909826"	877.435324	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-H"	-1.007276
"60557"	1772.904471	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M-2H+NH4"	16.019271
"498298"	2651.347071	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M-2H+NH4"	16.019271
"870632"	894.461871	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-2H+NH4"	16.019271
"41814"	1777.859866	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M-2H+Na"	20.974666
"481373"	2656.302466	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M-2H+Na"	20.974666
"849332"	899.417266	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-2H+Na"	20.974666
"1620203"	899.417266	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Na-2H"	20.974666
"101956"	895.423663	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M-H+Cl"	33.962126
"541516"	1334.644963	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M-H+Cl"	33.962126
"936123"	456.202363	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-H+Cl"	33.962126
"275773"	1791.854602	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+Cl"	34.969402
"668192"	2670.297202	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+Cl"	34.969402
"1280595"	913.412002	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Cl"	34.969402
"24247"	1793.833806	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M-2H+K"	36.948606
"462710"	2672.276406	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M-2H+K"	36.948606
"837232"	915.391206	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-2H+K"	36.948606
"1561813"	915.391206	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+K-2H"	36.948606
"947871"	923.440794	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-H+HCOOH"	44.998194
"366823"	1801.883401	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+HCOOH-H"	44.998201
"348521"	1815.899051	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+Hac-H"	59.013851
"1500633"	937.456451	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Hac-H"	59.013851
"963800"	945.422751	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-H+NaCOOH"	66.980151
"117082"	913.412002	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+2Cl"	69.938804
"558831"	1352.633302	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+2Cl"	69.938804
"1029819"	474.190702	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2Cl"	69.938804
"1245027"	957.361485	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Br"	78.918885
"1308567"	959.417472	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Cl+HCOOH"	80.974872
"1324973"	981.399429	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Cl+NaCOOH"	102.956829
"913846"	991.428186	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M-H+CF3COOH"	112.985586
"1290554"	1027.404864	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Cl+CF3COOH"	148.962264
"1373090"	843.429924	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H-2H2O"	-35.012676
"1386213"	861.4399	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H-H2O"	-17.0027
"293552"	1757.892476	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+H"	1.007276
"680506"	2636.335076	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+H"	1.007276
"1360139"	879.449876	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H"	1.007276
"133028"	879.449876	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+2H"	2.014552
"570401"	1318.671176	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+2H"	2.014552
"1041387"	440.228576	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2H"	2.014552
"205278"	586.635676	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+3H"	3.021828
"644389"	879.449876	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+3H"	3.021828
"1162849"	293.821476	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+3H"	3.021828
"425268"	1774.919023	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+NH4"	18.033823
"797816"	2653.361623	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+NH4"	18.033823
"1694513"	896.476423	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+NH4"	18.033823
"341332"	887.9631495	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+H+NH4"	19.041099
"734484"	1327.1844495	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+H+NH4"	19.041099
"1489760"	448.7418495	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H+NH4"	19.041099
"406250"	1779.874418	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+Na"	22.989218
"767976"	2658.317018	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+Na"	22.989218
"1610973"	901.431818	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Na"	22.989218
"319919"	890.440847	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+H+Na"	23.996494
"712340"	1329.662147	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+H+Na"	23.996494
"1467252"	451.219547	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H+Na"	23.996494
"1056121"	301.14879	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2H+Na"	25.00377
"1261078"	911.476086	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+CH3OH+H"	33.033486
"381846"	1795.848358	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+K"	38.963158
"743930"	2674.290958	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+K"	38.963158
"1543801"	917.405758	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+K"	38.963158
"299515"	898.427817	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+H+K"	39.970434
"693388"	1337.649117	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+H+K"	39.970434
"1460720"	459.206517	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H+K"	39.970434
"251150"	1798.919026	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+ACN+H"	42.033826
"1224586"	920.476426	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+ACN+H"	42.033826
"1209318"	460.741851	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+ACN+2H"	43.041102
"203535"	1801.85636	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+2Na-H"	44.97116
"639080"	2680.29896	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+2Na-H"	44.97116
"1137121"	923.41376	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2Na-H"	44.97116
"179315"	901.431818	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+2Na"	45.978436
"616689"	1340.653118	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+2Na"	45.978436
"1122381"	462.210518	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2Na"	45.978436
"1412469"	308.476104	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H+2Na"	46.985712
"1440207"	925.455346	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H+HCOOH"	47.012746
"228810"	906.46484	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+3H2O+2H"	56.04448
"1513590"	939.50739	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+IsoProp+H"	61.06479
"415462"	909.418788	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+Na+K"	61.952376
"774997"	1348.640088	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+Na+K"	61.952376
"1670965"	470.197488	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Na+K"	61.952376
"258212"	1820.900968	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+ACN+Na"	64.015768
"1230921"	942.458368	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+ACN+Na"	64.015768
"1718717"	942.481893	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+NH4+HCOOH"	64.039293
"1182975"	315.803418	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+3Na"	68.967654
"1650552"	947.437288	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Na+HCOOH"	68.994688
"161923"	1833.80424	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+2K-H"	76.91904
"608046"	2712.24684	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+2K-H"	76.91904
"1093651"	955.36164	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2K-H"	76.91904
"146095"	917.405758	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"2M+2K"	77.926316
"588937"	1356.627058	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"3M+2K"	77.926316
"1072356"	478.184458	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2K"	77.926316
"1111035"	957.376192	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2K+H"	78.933592
"1339765"	957.463807	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+DMSO+H"	79.021207
"1015949"	961.502976	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2ACN+H"	83.060376
"1537234"	962.496608	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+IsoProp+Na+H"	84.054008
"998334"	481.255126	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+2ACN+2H"	84.067652
"1602072"	963.411228	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+K+HCOOH"	84.968628
"1426150"	993.442738	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+H+CF3COOH"	115.000138
"1157530"	501.768401	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+3ACN+2H"	125.094202
"1702707"	1010.469285	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+NH4+CF3COOH"	132.026685
"1637265"	1015.42468	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+Na+CF3COOH"	136.98208
"1584946"	1031.39862	"C06503"	"Hydrogenobyrinate ac diamide;Hydrogenobyrinate diamide;Hydrogenobyrinic acid ac-diamide"	"C45H62N6O12"	"878.4426"	"M+K+CF3COOH"	152.95602
"816915"	936.3679	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M"	0
"984473"	917.34951	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H2O-H"	-19.01839
"72715"	623.237990666667	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-3H"	-3.021828
"515192"	935.360624	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-3H"	-3.021828
"891901"	311.115357333333	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-3H"	-3.021828
"8654"	935.360624	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H"	-2.014552
"447119"	1403.544574	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H"	-2.014552
"824923"	467.176674	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H"	-2.014552
"90017"	1871.728524	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-H"	-1.007276
"524838"	2808.096424	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-H"	-1.007276
"906290"	935.360624	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H"	-1.007276
"60667"	1888.755071	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H+NH4"	16.019271
"502056"	2825.122971	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H+NH4"	16.019271
"875114"	952.387171	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H+NH4"	16.019271
"38641"	1893.710466	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H+Na"	20.974666
"480389"	2830.078366	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H+Na"	20.974666
"858192"	957.342566	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H+Na"	20.974666
"1625538"	957.342566	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na-2H"	20.974666
"100973"	953.348963	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-H+Cl"	33.962126
"541626"	1421.532913	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-H+Cl"	33.962126
"931861"	485.165013	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+Cl"	33.962126
"275884"	1907.705202	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Cl"	34.969402
"665024"	2844.073102	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+Cl"	34.969402
"1280705"	971.337302	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl"	34.969402
"23265"	1909.684406	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H+K"	36.948606
"463915"	2846.052306	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H+K"	36.948606
"842809"	973.316506	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H+K"	36.948606
"1563016"	973.316506	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K-2H"	36.948606
"949077"	981.366094	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+HCOOH"	44.998194
"370215"	1917.734001	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+HCOOH-H"	44.998201
"347900"	1931.749651	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Hac-H"	59.013851
"1496004"	995.381751	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Hac-H"	59.013851
"963910"	1003.348051	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+NaCOOH"	66.980151
"117191"	971.337302	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2Cl"	69.938804
"555657"	1439.521252	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2Cl"	69.938804
"1026645"	503.153352	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2Cl"	69.938804
"1242585"	1015.286785	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Br"	78.918885
"1306123"	1017.342772	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl+HCOOH"	80.974872
"1320830"	1039.324729	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl+NaCOOH"	102.956829
"913956"	1049.353486	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+CF3COOH"	112.985586
"1290660"	1085.330164	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl+CF3COOH"	148.962264
"1370284"	901.355224	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H-2H2O"	-35.012676
"1383765"	919.3652	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H-H2O"	-17.0027
"286006"	1873.743076	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H"	1.007276
"680614"	2810.110976	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H"	1.007276
"1355873"	937.375176	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H"	1.007276
"132045"	937.375176	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2H"	2.014552
"569782"	1405.559126	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2H"	2.014552
"1040404"	469.191226	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2H"	2.014552
"204660"	625.252542666667	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+3H"	3.021828
"645314"	937.375176	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+3H"	3.021828
"1162866"	313.129909333333	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+3H"	3.021828
"425257"	1890.769623	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+NH4"	18.033823
"799019"	2827.137523	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+NH4"	18.033823
"1693164"	954.401723	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+NH4"	18.033823
"341443"	945.8884495	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H+NH4"	19.041099
"734956"	1414.0723995	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H+NH4"	19.041099
"1486587"	477.7044995	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+NH4"	19.041099
"404174"	1895.725018	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Na"	22.989218
"766264"	2832.092918	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+Na"	22.989218
"1609990"	959.357118	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na"	22.989218
"321122"	948.366147	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H+Na"	23.996494
"711357"	1416.550097	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H+Na"	23.996494
"1467363"	480.182197	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+Na"	23.996494
"1057328"	320.457223333333	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2H+Na"	25.00377
"1264474"	969.401386	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+CH3OH+H"	33.033486
"383049"	1911.698958	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+K"	38.963158
"742951"	2848.066858	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+K"	38.963158
"1541358"	975.331058	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K"	38.963158
"298596"	956.353117	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H+K"	39.970434
"691556"	1424.537067	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H+K"	39.970434
"1461303"	488.169167	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+K"	39.970434
"251306"	1914.769626	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+ACN+H"	42.033826
"1225500"	978.401726	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+ACN+H"	42.033826
"1209856"	489.704501	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+ACN+2H"	43.041102
"203764"	1917.70696	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2Na-H"	44.97116
"643564"	2854.07486	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2Na-H"	44.97116
"1138324"	981.33906	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2Na-H"	44.97116
"181612"	959.357118	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2Na"	45.978436
"621174"	1427.541068	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2Na"	45.978436
"1121397"	491.173168	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2Na"	45.978436
"1404921"	327.784537333333	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+2Na"	46.985712
"1440318"	983.380646	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+HCOOH"	47.012746
"230012"	964.39014	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+3H2O+2H"	56.04448
"1514795"	997.43269	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+IsoProp+H"	61.06479
"416668"	967.344088	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Na+K"	61.952376
"777659"	1435.528038	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+Na+K"	61.952376
"1671438"	499.160138	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na+K"	61.952376
"258322"	1936.751568	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+ACN+Na"	64.015768
"1235407"	1000.383668	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+ACN+Na"	64.015768
"1719921"	1000.407193	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+NH4+HCOOH"	64.039293
"1183085"	335.111851333333	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+3Na"	68.967654
"1650546"	1005.362588	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na+HCOOH"	68.994688
"162033"	1949.65484	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2K-H"	76.91904
"607062"	2886.02274	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2K-H"	76.91904
"1090481"	1013.28694	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2K-H"	76.91904
"146205"	975.331058	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2K"	77.926316
"584672"	1443.515008	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2K"	77.926316
"1071372"	507.147108	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2K"	77.926316
"1108958"	1015.301492	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2K+H"	78.933592
"1343152"	1015.389107	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+DMSO+H"	79.021207
"1013871"	1019.428276	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2ACN+H"	83.060376
"1536372"	1020.421908	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+IsoProp+Na+H"	84.054008
"1002819"	510.217776	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2ACN+2H"	84.067652
"1602467"	1021.336528	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K+HCOOH"	84.968628
"1429541"	1051.368038	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+CF3COOH"	115.000138
"1156549"	530.731051	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+3ACN+2H"	125.094202
"1707194"	1068.394585	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+NH4+CF3COOH"	132.026685
"1646123"	1073.34998	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na+CF3COOH"	136.98208
"1585056"	1089.32392	"C06504"	"Cob(II)yrinate ac diamide;Cob(II)yrinate diamide;Cob(II)yrinic acid ac-diamide;Cobyrinate ac-diamide;Cobyrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K+CF3COOH"	152.95602
"805579"	936.3679	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M"	0
"986770"	917.34951	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H2O-H"	-19.01839
"72825"	623.237990666667	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-3H"	-3.021828
"515302"	935.360624	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-3H"	-3.021828
"891282"	311.115357333333	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-3H"	-3.021828
"11680"	935.360624	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H"	-2.014552
"448322"	1403.544574	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H"	-2.014552
"829408"	467.176674	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H"	-2.014552
"89034"	1871.728524	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-H"	-1.007276
"524584"	2808.096424	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-H"	-1.007276
"906400"	935.360624	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H"	-1.007276
"59683"	1888.755071	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H+NH4"	16.019271
"499613"	2825.122971	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H+NH4"	16.019271
"875224"	952.387171	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H+NH4"	16.019271
"38751"	1893.710466	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H+Na"	20.974666
"483779"	2830.078366	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H+Na"	20.974666
"858302"	957.342566	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H+Na"	20.974666
"1626741"	957.342566	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na-2H"	20.974666
"99991"	953.348963	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-H+Cl"	33.962126
"539549"	1421.532913	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-H+Cl"	33.962126
"929783"	485.165013	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+Cl"	33.962126
"272714"	1907.705202	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Cl"	34.969402
"664769"	2844.073102	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+Cl"	34.969402
"1280814"	971.337302	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl"	34.969402
"24467"	1909.684406	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M-2H+K"	36.948606
"466210"	2846.052306	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M-2H+K"	36.948606
"841097"	973.316506	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-2H+K"	36.948606
"1564219"	973.316506	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K-2H"	36.948606
"949918"	981.366094	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+HCOOH"	44.998194
"365952"	1917.734001	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+HCOOH-H"	44.998201
"347038"	1931.749651	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Hac-H"	59.013851
"1495748"	995.381751	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Hac-H"	59.013851
"962196"	1003.348051	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+NaCOOH"	66.980151
"114385"	971.337302	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2Cl"	69.938804
"554309"	1439.521252	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2Cl"	69.938804
"1028942"	503.153352	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2Cl"	69.938804
"1243059"	1015.286785	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Br"	78.918885
"1306963"	1017.342772	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl+HCOOH"	80.974872
"1323006"	1039.324729	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl+NaCOOH"	102.956829
"912971"	1049.353486	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M-H+CF3COOH"	112.985586
"1291865"	1085.330164	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Cl+CF3COOH"	148.962264
"1368569"	901.355224	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H-2H2O"	-35.012676
"1386063"	919.3652	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H-H2O"	-17.0027
"287210"	1873.743076	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H"	1.007276
"680724"	2810.110976	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H"	1.007276
"1353796"	937.375176	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H"	1.007276
"132155"	937.375176	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2H"	2.014552
"570622"	1405.559126	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2H"	2.014552
"1040878"	469.191226	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2H"	2.014552
"204405"	625.252542666667	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+3H"	3.021828
"644816"	937.375176	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+3H"	3.021828
"1162786"	313.129909333333	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+3H"	3.021828
"425367"	1890.769623	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+NH4"	18.033823
"799127"	2827.137523	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+NH4"	18.033823
"1692181"	954.401723	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+NH4"	18.033823
"341553"	945.8884495	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H+NH4"	19.041099
"733973"	1414.0723995	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H+NH4"	19.041099
"1486697"	477.7044995	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+NH4"	19.041099
"404284"	1895.725018	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Na"	22.989218
"766010"	2832.092918	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+Na"	22.989218
"1614110"	959.357118	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na"	22.989218
"323420"	948.366147	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H+Na"	23.996494
"713654"	1416.550097	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H+Na"	23.996494
"1468567"	480.182197	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+Na"	23.996494
"1059625"	320.457223333333	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2H+Na"	25.00377
"1265677"	969.401386	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+CH3OH+H"	33.033486
"382065"	1911.698958	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+K"	38.963158
"741968"	2848.066858	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+K"	38.963158
"1540739"	975.331058	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K"	38.963158
"298798"	956.353117	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+H+K"	39.970434
"691583"	1424.537067	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+H+K"	39.970434
"1460984"	488.169167	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+K"	39.970434
"250844"	1914.769626	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+ACN+H"	42.033826
"1225054"	978.401726	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+ACN+H"	42.033826
"1209502"	489.704501	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+ACN+2H"	43.041102
"199737"	1917.70696	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2Na-H"	44.97116
"641487"	2854.07486	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2Na-H"	44.97116
"1139528"	981.33906	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2Na-H"	44.97116
"179536"	959.357118	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2Na"	45.978436
"620191"	1427.541068	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2Na"	45.978436
"1121507"	491.173168	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2Na"	45.978436
"1405031"	327.784537333333	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+2Na"	46.985712
"1440428"	983.380646	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+HCOOH"	47.012746
"230122"	964.39014	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+3H2O+2H"	56.04448
"1513812"	997.43269	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+IsoProp+H"	61.06479
"417871"	967.344088	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+Na+K"	61.952376
"776676"	1435.528038	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+Na+K"	61.952376
"1670820"	499.160138	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na+K"	61.952376
"255881"	1936.751568	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+ACN+Na"	64.015768
"1235153"	1000.383668	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+ACN+Na"	64.015768
"1718938"	1000.407193	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+NH4+HCOOH"	64.039293
"1183195"	335.111851333333	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+3Na"	68.967654
"1650413"	1005.362588	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na+HCOOH"	68.994688
"164330"	1949.65484	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2K-H"	76.91904
"606079"	2886.02274	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2K-H"	76.91904
"1093871"	1013.28694	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2K-H"	76.91904
"149595"	975.331058	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"2M+2K"	77.926316
"584782"	1443.515008	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"3M+2K"	77.926316
"1071482"	507.147108	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2K"	77.926316
"1106881"	1015.301492	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2K+H"	78.933592
"1345450"	1015.389107	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+DMSO+H"	79.021207
"1012888"	1019.428276	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2ACN+H"	83.060376
"1529922"	1020.421908	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+IsoProp+Na+H"	84.054008
"1001836"	510.217776	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+2ACN+2H"	84.067652
"1598526"	1021.336528	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K+HCOOH"	84.968628
"1426371"	1051.368038	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+H+CF3COOH"	115.000138
"1154471"	530.731051	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+3ACN+2H"	125.094202
"1708397"	1068.394585	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+NH4+CF3COOH"	132.026685
"1644046"	1073.34998	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+Na+CF3COOH"	136.98208
"1585166"	1089.32392	"C06505"	"Cob(I)yrinate ac diamide;Cob(I)yrinate diamide;Cob(I)yrinic acid ac-diamide"	"C45H61CoN6O12"	"936.3679"	"M+K+CF3COOH"	152.95602
"805689"	1186.462	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M"	0
"987973"	1167.44361	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-H2O-H"	-19.01839
"78045"	789.967390666667	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M-3H"	-3.021828
"518291"	1185.454724	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M-3H"	-3.021828
"894186"	394.480057333333	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-3H"	-3.021828
"14952"	1185.454724	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M-2H"	-2.014552
"450619"	1778.685724	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M-2H"	-2.014552
"819672"	592.223724	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-2H"	-2.014552
"93037"	2371.916724	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M-H"	-1.007276
"529799"	3558.378724	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M-H"	-1.007276
"910280"	1185.454724	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-H"	-1.007276
"60157"	2388.943271	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M-2H+NH4"	16.019271
"502038"	3575.405271	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M-2H+NH4"	16.019271
"876430"	1202.481271	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-2H+NH4"	16.019271
"43966"	2393.898666	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M-2H+Na"	20.974666
"480610"	3580.360666	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M-2H+Na"	20.974666
"857318"	1207.436666	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-2H+Na"	20.974666
"1630132"	1207.436666	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Na-2H"	20.974666
"101195"	1203.443063	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M-H+Cl"	33.962126
"542939"	1796.674063	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M-H+Cl"	33.962126
"938641"	610.212063	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-H+Cl"	33.962126
"281940"	2407.893402	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+Cl"	34.969402
"669618"	3594.355402	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+Cl"	34.969402
"1284206"	1221.431402	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Cl"	34.969402
"26763"	2409.872606	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M-2H+K"	36.948606
"461586"	3596.334606	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M-2H+K"	36.948606
"839023"	1223.410606	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-2H+K"	36.948606
"1565423"	1223.410606	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+K-2H"	36.948606
"950392"	1231.460194	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-H+HCOOH"	44.998194
"367154"	2417.922201	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+HCOOH-H"	44.998201
"349946"	2431.937851	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+Hac-H"	59.013851
"1499872"	1245.475851	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Hac-H"	59.013851
"967413"	1253.442151	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-H+NaCOOH"	66.980151
"114497"	1221.431402	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+2Cl"	69.938804
"563174"	1814.662402	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+2Cl"	69.938804
"1031242"	628.200402	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2Cl"	69.938804
"1250461"	1265.380885	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Br"	78.918885
"1311086"	1267.436872	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Cl+HCOOH"	80.974872
"1327491"	1289.418829	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Cl+NaCOOH"	102.956829
"919643"	1299.447586	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M-H+CF3COOH"	112.985586
"1297444"	1335.424264	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Cl+CF3COOH"	148.962264
"1373419"	1151.449324	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H-2H2O"	-35.012676
"1385448"	1169.4593	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H-H2O"	-17.0027
"288414"	2373.931276	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+H"	1.007276
"683023"	3560.393276	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+H"	1.007276
"1358279"	1187.469276	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H"	1.007276
"134453"	1187.469276	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+2H"	2.014552
"578386"	1780.700276	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+2H"	2.014552
"1041718"	594.238276	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2H"	2.014552
"209620"	791.981942666667	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+3H"	3.021828
"648086"	1187.469276	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+3H"	3.021828
"1164023"	396.494609333333	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+3H"	3.021828
"427297"	2390.957823	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+NH4"	18.033823
"800704"	3577.419823	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+NH4"	18.033823
"1695940"	1204.495823	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+NH4"	18.033823
"345069"	1195.9825495	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+H+NH4"	19.041099
"737610"	1789.2135495	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+H+NH4"	19.041099
"1490819"	602.7515495	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H+NH4"	19.041099
"404394"	2395.913218	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+Na"	22.989218
"767215"	3582.375218	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+Na"	22.989218
"1616042"	1209.451218	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Na"	22.989218
"327906"	1198.460247	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+H+Na"	23.996494
"719231"	1791.691247	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+H+Na"	23.996494
"1470864"	605.229247	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H+Na"	23.996494
"1060829"	403.821923333333	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2H+Na"	25.00377
"1265788"	1219.495486	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+CH3OH+H"	33.033486
"384362"	2411.887158	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+K"	38.963158
"746451"	3598.349158	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+K"	38.963158
"1548505"	1225.425158	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+K"	38.963158
"305682"	1206.447217	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+H+K"	39.970434
"694819"	1799.678217	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+H+K"	39.970434
"1454114"	613.216217	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H+K"	39.970434
"251119"	2414.957826	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+ACN+H"	42.033826
"1225158"	1228.495826	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+ACN+H"	42.033826
"1208063"	614.751551	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+ACN+2H"	43.041102
"200943"	2417.89516	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+2Na-H"	44.97116
"640504"	3604.35716	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+2Na-H"	44.97116
"1142919"	1231.43316	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2Na-H"	44.97116
"182564"	1209.451218	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+2Na"	45.978436
"620301"	1802.682218	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+2Na"	45.978436
"1118337"	616.220218	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2Na"	45.978436
"1404777"	411.149237333333	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H+2Na"	46.985712
"1437624"	1233.474746	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H+HCOOH"	47.012746
"230234"	1214.48424	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+3H2O+2H"	56.04448
"1511735"	1247.52679	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+IsoProp+H"	61.06479
"415795"	1217.438188	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+Na+K"	61.952376
"780071"	1810.669188	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+Na+K"	61.952376
"1677494"	624.207188	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Na+K"	61.952376
"261828"	2436.939768	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+ACN+Na"	64.015768
"1232348"	1250.477768	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+ACN+Na"	64.015768
"1719776"	1250.501293	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+NH4+HCOOH"	64.039293
"1187318"	418.476551333333	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+3Na"	68.967654
"1650006"	1255.456688	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Na+HCOOH"	68.994688
"168087"	2449.84304	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+2K-H"	76.91904
"604004"	3636.30504	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+2K-H"	76.91904
"1096170"	1263.38104	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2K-H"	76.91904
"149708"	1225.425158	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"2M+2K"	77.926316
"587083"	1818.656158	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"3M+2K"	77.926316
"1071593"	632.194158	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2K"	77.926316
"1104805"	1265.395592	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2K+H"	78.933592
"1338636"	1265.483207	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+DMSO+H"	79.021207
"1013000"	1269.522376	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2ACN+H"	83.060376
"1530032"	1270.516008	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+IsoProp+Na+H"	84.054008
"997573"	635.264826	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+2ACN+2H"	84.067652
"1596450"	1271.430628	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+K+HCOOH"	84.968628
"1424296"	1301.462138	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+H+CF3COOH"	115.000138
"1157862"	655.778101	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+3ACN+2H"	125.094202
"1710330"	1318.488685	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+NH4+CF3COOH"	132.026685
"1644156"	1323.44408	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+Na+CF3COOH"	136.98208
"1585276"	1339.41802	"C06506"	"Adenosyl cobyrinate ac diamide;Adenosyl cobyrinate diamide;Adenosylcob(III)yrinic acid ac-diamide;Adenosylcobyrinic acid ac-diamide"	"C55H73CoN11O15"	"1186.462"	"M+K+CF3COOH"	152.95602
"805799"	1182.5259	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M"	0
"989507"	1163.50751	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-H2O-H"	-19.01839
"76325"	787.343324	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M-3H"	-3.021828
"517345"	1181.518624	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M-3H"	-3.021828
"891502"	393.168024	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-3H"	-3.021828
"13358"	1181.518624	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M-2H"	-2.014552
"447449"	1772.781574	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M-2H"	-2.014552
"819782"	590.255674	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-2H"	-2.014552
"90711"	2364.044524	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M-H"	-1.007276
"528084"	3546.570424	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M-H"	-1.007276
"910392"	1181.518624	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-H"	-1.007276
"60634"	2381.071071	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M-2H+NH4"	16.019271
"500811"	3563.596971	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M-2H+NH4"	16.019271
"871073"	1198.545171	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-2H+NH4"	16.019271
"42254"	2386.026466	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M-2H+Na"	20.974666
"481814"	3568.552366	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M-2H+Na"	20.974666
"860708"	1203.500566	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-2H+Na"	20.974666
"1631336"	1203.500566	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Na-2H"	20.974666
"101305"	1199.506963	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M-H+Cl"	33.962126
"545236"	1790.769913	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M-H+Cl"	33.962126
"940940"	608.244013	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-H+Cl"	33.962126
"281686"	2400.021202	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+Cl"	34.969402
"673008"	3582.547102	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+Cl"	34.969402
"1286140"	1217.495302	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Cl"	34.969402
"26873"	2402.000406	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M-2H+K"	36.948606
"462061"	3584.526306	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M-2H+K"	36.948606
"838770"	1219.474506	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-2H+K"	36.948606
"1564440"	1219.474506	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+K-2H"	36.948606
"951232"	1227.524094	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-H+HCOOH"	44.998194
"366171"	2410.050001	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+HCOOH-H"	44.998201
"348963"	2424.065651	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+Hac-H"	59.013851
"1499982"	1241.539751	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Hac-H"	59.013851
"965337"	1249.506051	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-H+NaCOOH"	66.980151
"113513"	1217.495302	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+2Cl"	69.938804
"564376"	1808.758252	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+2Cl"	69.938804
"1029164"	626.232352	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2Cl"	69.938804
"1250935"	1261.444785	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Br"	78.918885
"1314476"	1263.500772	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Cl+HCOOH"	80.974872
"1327601"	1285.482729	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Cl+NaCOOH"	102.956829
"919753"	1295.511486	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M-H+CF3COOH"	112.985586
"1300834"	1331.488164	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Cl+CF3COOH"	148.962264
"1374622"	1147.513224	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H-2H2O"	-35.012676
"1387745"	1165.5232	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H-H2O"	-17.0027
"288525"	2366.059076	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+H"	1.007276
"688602"	3548.584976	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+H"	1.007276
"1366045"	1183.533176	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H"	1.007276
"134563"	1183.533176	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+2H"	2.014552
"580683"	1774.796126	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+2H"	2.014552
"1047295"	592.270226	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2H"	2.014552
"207907"	789.357876	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+3H"	3.021828
"647467"	1183.533176	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+3H"	3.021828
"1165957"	395.182576	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+3H"	3.021828
"425585"	2383.085623	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+NH4"	18.033823
"797162"	3565.611523	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+NH4"	18.033823
"1691305"	1200.559723	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+NH4"	18.033823
"345345"	1192.0464495	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+H+NH4"	19.041099
"736016"	1783.3093995	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+H+NH4"	19.041099
"1490931"	600.7834995	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H+NH4"	19.041099
"401224"	2388.041018	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+Na"	22.989218
"762221"	3570.566918	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+Na"	22.989218
"1612506"	1205.515118	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Na"	22.989218
"325826"	1194.524147	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+H+Na"	23.996494
"718248"	1785.787097	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+H+Na"	23.996494
"1469881"	603.261197	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H+Na"	23.996494
"1059846"	402.50989	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2H+Na"	25.00377
"1264805"	1215.559386	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+CH3OH+H"	33.033486
"382286"	2404.014958	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+K"	38.963158
"744375"	3586.540858	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+K"	38.963158
"1549709"	1221.489058	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+K"	38.963158
"304700"	1202.511117	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+H+K"	39.970434
"693837"	1793.774067	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+H+K"	39.970434
"1453131"	611.248167	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H+K"	39.970434
"245016"	2407.085626	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+ACN+H"	42.033826
"1225398"	1224.559726	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+ACN+H"	42.033826
"1208173"	612.783501	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+ACN+2H"	43.041102
"200689"	2410.02296	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+2Na-H"	44.97116
"640614"	3592.54886	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+2Na-H"	44.97116
"1142664"	1227.49706	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2Na-H"	44.97116
"179757"	1205.515118	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+2Na"	45.978436
"618954"	1796.778068	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+2Na"	45.978436
"1121728"	614.252168	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2Na"	45.978436
"1407075"	409.837204	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H+2Na"	46.985712
"1439556"	1229.538646	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H+HCOOH"	47.012746
"231437"	1210.54814	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+3H2O+2H"	56.04448
"1516584"	1243.59069	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+IsoProp+H"	61.06479
"417363"	1213.502088	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+Na+K"	61.952376
"778722"	1804.765038	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+Na+K"	61.952376
"1676148"	622.239138	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Na+K"	61.952376
"260114"	2429.067568	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+ACN+Na"	64.015768
"1232822"	1246.541668	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+ACN+Na"	64.015768
"1717332"	1246.565193	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+NH4+HCOOH"	64.039293
"1186335"	417.164518	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+3Na"	68.967654
"1651851"	1251.520588	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Na+HCOOH"	68.994688
"170384"	2441.97084	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+2K-H"	76.91904
"604114"	3624.49674	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+2K-H"	76.91904
"1096280"	1259.44494	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2K-H"	76.91904
"149818"	1221.489058	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"2M+2K"	77.926316
"589379"	1812.752008	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"3M+2K"	77.926316
"1073891"	630.226108	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2K"	77.926316
"1104915"	1261.459492	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2K+H"	78.933592
"1345673"	1261.547107	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+DMSO+H"	79.021207
"1009831"	1265.586276	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2ACN+H"	83.060376
"1527955"	1266.579908	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+IsoProp+Na+H"	84.054008
"995496"	633.296776	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+2ACN+2H"	84.067652
"1594372"	1267.494528	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+K+HCOOH"	84.968628
"1426593"	1297.526038	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+H+CF3COOH"	115.000138
"1157972"	653.810051	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+3ACN+2H"	125.094202
"1710440"	1314.552585	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+NH4+CF3COOH"	132.026685
"1644266"	1319.50798	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+Na+CF3COOH"	136.98208
"1585386"	1335.48192	"C06507"	"Adenosyl cobyrinate hexaamide;Adenosylcobyric acid"	"C55H77CoN15O11"	"1182.5259"	"M+K+CF3COOH"	152.95602
"809190"	1239.5837	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M"	0
"989892"	1220.56531	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-H2O-H"	-19.01839
"78465"	825.381857333333	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M-3H"	-3.021828
"518143"	1238.576424	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M-3H"	-3.021828
"892704"	412.187290666667	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-3H"	-3.021828
"14927"	1238.576424	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M-2H"	-2.014552
"446465"	1858.368274	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M-2H"	-2.014552
"819162"	618.784574	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-2H"	-2.014552
"82070"	2478.160124	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M-H"	-1.007276
"529287"	3717.743824	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M-H"	-1.007276
"908189"	1238.576424	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-H"	-1.007276
"58190"	2495.186671	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M-2H+NH4"	16.019271
"502219"	3734.770371	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M-2H+NH4"	16.019271
"877749"	1255.602971	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-2H+NH4"	16.019271
"44554"	2500.142066	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M-2H+Na"	20.974666
"481926"	3739.725766	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M-2H+Na"	20.974666
"859727"	1260.558366	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-2H+Na"	20.974666
"1629990"	1260.558366	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Na-2H"	20.974666
"102509"	1256.564763	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M-H+Cl"	33.962126
"547535"	1876.356613	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M-H+Cl"	33.962126
"939590"	636.772913	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-H+Cl"	33.962126
"280697"	2514.136802	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+Cl"	34.969402
"669836"	3753.720502	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+Cl"	34.969402
"1283333"	1274.553102	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Cl"	34.969402
"22609"	2516.116006	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M-2H+K"	36.948606
"460346"	3755.699706	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M-2H+K"	36.948606
"835598"	1276.532306	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-2H+K"	36.948606
"1557625"	1276.532306	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+K-2H"	36.948606
"946237"	1284.581894	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-H+HCOOH"	44.998194
"366279"	2524.165601	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+HCOOH-H"	44.998201
"350165"	2538.181251	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+Hac-H"	59.013851
"1497902"	1298.597551	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Hac-H"	59.013851
"964352"	1306.563851	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-H+NaCOOH"	66.980151
"114352"	1274.553102	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+2Cl"	69.938804
"553544"	1894.344952	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+2Cl"	69.938804
"1023807"	654.761252	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2Cl"	69.938804
"1252865"	1318.502585	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Br"	78.918885
"1310210"	1320.558572	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Cl+HCOOH"	80.974872
"1325520"	1342.540529	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Cl+NaCOOH"	102.956829
"916577"	1352.569286	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M-H+CF3COOH"	112.985586
"1295474"	1388.545964	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Cl+CF3COOH"	148.962264
"1371450"	1204.571024	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H-2H2O"	-35.012676
"1386762"	1222.581	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H-H2O"	-17.0027
"288634"	2480.174676	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+H"	1.007276
"689806"	3719.758376	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+H"	1.007276
"1359595"	1240.590976	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H"	1.007276
"136861"	1240.590976	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+2H"	2.014552
"578607"	1860.382826	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+2H"	2.014552
"1043031"	620.799126	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2H"	2.014552
"208018"	827.396409333333	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+3H"	3.021828
"645387"	1240.590976	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+3H"	3.021828
"1164609"	414.201842666667	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+3H"	3.021828
"425450"	2497.201223	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+NH4"	18.033823
"801334"	3736.784923	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+NH4"	18.033823
"1696968"	1257.617523	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+NH4"	18.033823
"345491"	1249.1042495	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+H+NH4"	19.041099
"738158"	1868.8960995	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+H+NH4"	19.041099
"1492133"	629.3123995	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H+NH4"	19.041099
"406803"	2502.156618	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+Na"	22.989218
"766705"	3741.740318	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+Na"	22.989218
"1614803"	1262.572918	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Na"	22.989218
"325935"	1251.581947	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+H+Na"	23.996494
"721644"	1871.373797	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+H+Na"	23.996494
"1476192"	631.790097	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H+Na"	23.996494
"1062143"	421.529156666667	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2H+Na"	25.00377
"1268196"	1272.617186	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+CH3OH+H"	33.033486
"384584"	2518.130558	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+K"	38.963158
"744486"	3757.714258	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+K"	38.963158
"1548726"	1278.546858	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+K"	38.963158
"308090"	1259.568917	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+H+K"	39.970434
"693951"	1879.360767	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+H+K"	39.970434
"1455431"	639.777067	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H+K"	39.970434
"246221"	2521.201226	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+ACN+H"	42.033826
"1225185"	1281.617526	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+ACN+H"	42.033826
"1206826"	641.312401	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+ACN+2H"	43.041102
"202498"	2524.13856	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+2Na-H"	44.97116
"641816"	3763.72226	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+2Na-H"	44.97116
"1142045"	1284.55486	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2Na-H"	44.97116
"182054"	1262.572918	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+2Na"	45.978436
"623073"	1882.364768	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+2Na"	45.978436
"1126578"	642.781068	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2Na"	45.978436
"1409009"	428.856470666667	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H+2Na"	46.985712
"1442582"	1286.596446	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H+HCOOH"	47.012746
"232642"	1267.60594	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+3H2O+2H"	56.04448
"1521798"	1300.64849	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+IsoProp+H"	61.06479
"420756"	1270.559888	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+Na+K"	61.952376
"781750"	1890.351738	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+Na+K"	61.952376
"1677716"	650.768038	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Na+K"	61.952376
"263142"	2543.183168	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+ACN+Na"	64.015768
"1238767"	1303.599468	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+ACN+Na"	64.015768
"1721455"	1303.622993	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+NH4+HCOOH"	64.039293
"1188996"	436.183784666667	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+3Na"	68.967654
"1657794"	1308.578388	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Na+HCOOH"	68.994688
"171831"	2556.08644	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+2K-H"	76.91904
"605317"	3795.67014	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+2K-H"	76.91904
"1093110"	1316.50274	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2K-H"	76.91904
"148106"	1278.546858	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"2M+2K"	77.926316
"587303"	1898.338708	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"3M+2K"	77.926316
"1072908"	658.755008	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2K"	77.926316
"1102837"	1318.517292	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2K+H"	78.933592
"1337275"	1318.604907	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+DMSO+H"	79.021207
"1009940"	1322.644076	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2ACN+H"	83.060376
"1525634"	1323.637708	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+IsoProp+Na+H"	84.054008
"995606"	661.825676	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+2ACN+2H"	84.067652
"1594484"	1324.552328	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+K+HCOOH"	84.968628
"1423422"	1354.583838	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+H+CF3COOH"	115.000138
"1158082"	682.338951	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+3ACN+2H"	125.094202
"1709821"	1371.610385	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+NH4+CF3COOH"	132.026685
"1641096"	1376.56578	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+Na+CF3COOH"	136.98208
"1585496"	1392.53972	"C06508"	"Adenosyl cobinamide;Adenosylcobinamide"	"C58H84CoN16O11"	"1239.5837"	"M+K+CF3COOH"	152.95602
"806019"	1319.5501	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M"	0
"986117"	1300.53171	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-H2O-H"	-19.01839
"74358"	878.692790666667	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M-3H"	-3.021828
"509543"	1318.542824	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M-3H"	-3.021828
"890626"	438.842757333333	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-3H"	-3.021828
"12484"	1318.542824	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M-2H"	-2.014552
"454231"	1978.317874	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M-2H"	-2.014552
"826564"	658.767774	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-2H"	-2.014552
"85462"	2638.092924	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M-H"	-1.007276
"529397"	3957.643024	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M-H"	-1.007276
"910243"	1318.542824	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-H"	-1.007276
"59393"	2655.119471	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M-2H+NH4"	16.019271
"502368"	3974.669571	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M-2H+NH4"	16.019271
"873480"	1335.569371	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-2H+NH4"	16.019271
"45026"	2660.074866	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M-2H+Na"	20.974666
"485317"	3979.624966	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M-2H+Na"	20.974666
"856556"	1340.524766	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-2H+Na"	20.974666
"1626089"	1340.524766	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Na-2H"	20.974666
"103712"	1336.531163	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M-H+Cl"	33.962126
"547280"	1996.306213	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M-H+Cl"	33.962126
"936784"	676.756113	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-H+Cl"	33.962126
"277526"	2674.069602	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+Cl"	34.969402
"667760"	3993.619702	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+Cl"	34.969402
"1277976"	1354.519502	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Cl"	34.969402
"20532"	2676.048806	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M-2H+K"	36.948606
"457906"	3995.598906	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M-2H+K"	36.948606
"833884"	1356.498706	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-2H+K"	36.948606
"1557007"	1356.498706	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+K-2H"	36.948606
"944889"	1364.548294	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-H+HCOOH"	44.998194
"364567"	2684.098401	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+HCOOH-H"	44.998201
"348450"	2698.114051	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+Hac-H"	59.013851
"1498012"	1378.563951	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Hac-H"	59.013851
"964461"	1386.530251	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-H+NaCOOH"	66.980151
"112637"	1354.519502	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+2Cl"	69.938804
"551588"	2014.294552	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+2Cl"	69.938804
"1022819"	694.744452	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2Cl"	69.938804
"1255894"	1398.468985	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Br"	78.918885
"1315790"	1400.524972	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Cl+HCOOH"	80.974872
"1324541"	1422.506929	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Cl+NaCOOH"	102.956829
"916689"	1432.535686	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M-H+CF3COOH"	112.985586
"1295585"	1468.512364	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Cl+CF3COOH"	148.962264
"1370469"	1284.537424	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H-2H2O"	-35.012676
"1386872"	1302.5474	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H-H2O"	-17.0027
"288744"	2640.107476	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+H"	1.007276
"686636"	3959.657576	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+H"	1.007276
"1356424"	1320.557376	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H"	1.007276
"136971"	1320.557376	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+2H"	2.014552
"579810"	1980.332426	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+2H"	2.014552
"1049703"	660.782326	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2H"	2.014552
"208493"	880.707342666667	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+3H"	3.021828
"646956"	1320.557376	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+3H"	3.021828
"1165447"	440.857309333333	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+3H"	3.021828
"426899"	2657.134023	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+NH4"	18.033823
"801293"	3976.684123	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+NH4"	18.033823
"1696934"	1337.583923	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+NH4"	18.033823
"343822"	1329.0706495	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+H+NH4"	19.041099
"737863"	1988.8456995	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+H+NH4"	19.041099
"1490787"	669.2955995	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H+NH4"	19.041099
"403633"	2662.089418	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+Na"	22.989218
"768517"	3981.639518	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+Na"	22.989218
"1613820"	1342.539318	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Na"	22.989218
"328963"	1331.548347	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+H+Na"	23.996494
"721752"	1991.323397	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+H+Na"	23.996494
"1476790"	671.773297	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H+Na"	23.996494
"1068337"	448.184623333333	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2H+Na"	25.00377
"1268306"	1352.583586	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+CH3OH+H"	33.033486
"392813"	2678.063358	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+K"	38.963158
"751157"	3997.613458	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+K"	38.963158
"1551022"	1358.513258	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+K"	38.963158
"312209"	1339.535317	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+H+K"	39.970434
"695154"	1999.310367	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+H+K"	39.970434
"1455541"	679.760267	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H+K"	39.970434
"246331"	2681.134026	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+ACN+H"	42.033826
"1225332"	1361.583926	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+ACN+H"	42.033826
"1209571"	681.295601	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+ACN+2H"	43.041102
"202000"	2684.07136	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+2Na-H"	44.97116
"641562"	4003.62146	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+2Na-H"	44.97116
"1145797"	1364.52126	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2Na-H"	44.97116
"184352"	1342.539318	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+2Na"	45.978436
"622455"	2002.314368	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+2Na"	45.978436
"1125229"	682.764268	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2Na"	45.978436
"1410574"	455.511937333333	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H+2Na"	46.985712
"1441234"	1366.562846	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H+HCOOH"	47.012746
"231656"	1347.57234	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+3H2O+2H"	56.04448
"1519719"	1380.61489	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+IsoProp+H"	61.06479
"420501"	1350.526288	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+Na+K"	61.952376
"782954"	2010.301338	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+Na+K"	61.952376
"1677460"	690.751238	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Na+K"	61.952376
"262155"	2703.115968	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+ACN+Na"	64.015768
"1228666"	1383.565868	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+ACN+Na"	64.015768
"1716096"	1383.589393	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+NH4+HCOOH"	64.039293
"1189105"	462.839251333333	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+3Na"	68.967654
"1657904"	1388.544788	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Na+HCOOH"	68.994688
"170970"	2716.01924	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+2K-H"	76.91904
"604334"	4035.56934	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+2K-H"	76.91904
"1086659"	1396.46914	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2K-H"	76.91904
"147123"	1358.513258	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"2M+2K"	77.926316
"587413"	2018.288308	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"3M+2K"	77.926316
"1074112"	698.738208	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2K"	77.926316
"1105135"	1398.483692	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2K+H"	78.933592
"1339331"	1398.571307	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+DMSO+H"	79.021207
"1008957"	1402.610476	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2ACN+H"	83.060376
"1528175"	1403.604108	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+IsoProp+Na+H"	84.054008
"995716"	701.808876	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+2ACN+2H"	84.067652
"1594594"	1404.518728	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+K+HCOOH"	84.968628
"1424625"	1434.550238	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+H+CF3COOH"	115.000138
"1157099"	722.322151	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+3ACN+2H"	125.094202
"1710660"	1451.576785	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+NH4+CF3COOH"	132.026685
"1644486"	1456.53218	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+Na+CF3COOH"	136.98208
"1585606"	1472.50612	"C06509"	"Adenosyl cobinamide phosphate;Adenosylcobinamide phosphate"	"C58H85CoN16O14P"	"1319.5501"	"M+K+CF3COOH"	152.95602
"806129"	1664.5975	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M"	0
"988901"	1645.57911	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-H2O-H"	-19.01839
"76655"	1108.72439066667	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M-3H"	-3.021828
"509653"	1663.590224	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M-3H"	-3.021828
"890736"	553.858557333333	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-3H"	-3.021828
"11500"	1663.590224	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M-2H"	-2.014552
"452883"	2495.888974	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M-2H"	-2.014552
"826674"	831.291474	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-2H"	-2.014552
"85572"	3328.187724	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M-H"	-1.007276
"521123"	4992.785224	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M-H"	-1.007276
"910602"	1663.590224	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-H"	-1.007276
"61940"	3345.214271	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M-2H+NH4"	16.019271
"502778"	5009.811771	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M-2H+NH4"	16.019271
"875777"	1680.616771	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-2H+NH4"	16.019271
"46600"	3350.169666	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M-2H+Na"	20.974666
"486282"	5014.767166	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M-2H+Na"	20.974666
"858853"	1685.572166	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-2H+Na"	20.974666
"1630576"	1685.572166	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Na-2H"	20.974666
"106009"	1681.578563	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M-H+Cl"	33.962126
"546661"	2513.877313	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M-H+Cl"	33.962126
"936894"	849.279813	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-H+Cl"	33.962126
"274356"	3364.164402	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+Cl"	34.969402
"667870"	5028.761902	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+Cl"	34.969402
"1278086"	1699.566902	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Cl"	34.969402
"20642"	3366.143606	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M-2H+K"	36.948606
"457288"	5030.741106	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M-2H+K"	36.948606
"836912"	1701.546106	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-2H+K"	36.948606
"1557847"	1701.546106	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+K-2H"	36.948606
"944998"	1709.595694	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-H+HCOOH"	44.998194
"363220"	3374.193201	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+HCOOH-H"	44.998201
"347104"	3388.208851	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+Hac-H"	59.013851
"1495936"	1723.611351	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Hac-H"	59.013851
"961292"	1731.577651	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-H+NaCOOH"	66.980151
"113112"	1699.566902	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+2Cl"	69.938804
"553763"	2531.865652	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+2Cl"	69.938804
"1023414"	867.268152	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2Cl"	69.938804
"1255275"	1743.516385	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Br"	78.918885
"1314443"	1745.572372	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Cl+HCOOH"	80.974872
"1327931"	1767.554329	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Cl+NaCOOH"	102.956829
"920080"	1777.583086	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M-H+CF3COOH"	112.985586
"1295695"	1813.559764	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Cl+CF3COOH"	148.962264
"1372766"	1629.584824	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H-2H2O"	-35.012676
"1386982"	1647.5948	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H-H2O"	-17.0027
"291041"	3330.202276	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+H"	1.007276
"685653"	4994.799776	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+H"	1.007276
"1358720"	1665.604776	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H"	1.007276
"134890"	1665.604776	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+2H"	2.014552
"580649"	2497.903526	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+2H"	2.014552
"1047626"	833.306026	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2H"	2.014552
"210427"	1110.73894266667	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+3H"	3.021828
"648526"	1665.604776	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+3H"	3.021828
"1167380"	555.873109333333	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+3H"	3.021828
"429561"	3347.228823	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+NH4"	18.033823
"800779"	5011.826323	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+NH4"	18.033823
"1693822"	1682.631323	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+NH4"	18.033823
"345022"	1674.1180495	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+H+NH4"	19.041099
"737446"	2506.4167995	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+H+NH4"	19.041099
"1491261"	841.8192995	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H+NH4"	19.041099
"403743"	3352.184218	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+Na"	22.989218
"766926"	5016.781718	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+Na"	22.989218
"1612837"	1687.586718	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Na"	22.989218
"323606"	1676.595747	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+H+Na"	23.996494
"719307"	2508.894497	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+H+Na"	23.996494
"1473494"	844.296997	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H+Na"	23.996494
"1059080"	563.200423333333	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2H+Na"	25.00377
"1266226"	1697.630986	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+CH3OH+H"	33.033486
"386988"	3368.158158	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+K"	38.963158
"749079"	5032.755658	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+K"	38.963158
"1551131"	1703.560658	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+K"	38.963158
"311956"	1684.582717	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+H+K"	39.970434
"696359"	2516.881467	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+H+K"	39.970434
"1447623"	852.283967	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H+K"	39.970434
"245347"	3371.228826	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+ACN+H"	42.033826
"1225320"	1706.631326	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+ACN+H"	42.033826
"1209357"	853.819301	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+ACN+2H"	43.041102
"201381"	3374.16616	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+2Na-H"	44.97116
"639848"	5038.76366	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+2Na-H"	44.97116
"1142260"	1709.56866	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2Na-H"	44.97116
"185916"	1687.586718	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+2Na"	45.978436
"623292"	2519.885468	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+2Na"	45.978436
"1125338"	855.287968	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2Na"	45.978436
"1409591"	570.527737333333	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H+2Na"	46.985712
"1441344"	1711.610246	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H+HCOOH"	47.012746
"232134"	1692.61974	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+3H2O+2H"	56.04448
"1519829"	1725.66229	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+IsoProp+H"	61.06479
"417326"	1695.573688	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+Na+K"	61.952376
"780145"	2527.872438	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+Na+K"	61.952376
"1676477"	863.274938	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Na+K"	61.952376
"256797"	3393.210768	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+ACN+Na"	64.015768
"1226950"	1728.613268	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+ACN+Na"	64.015768
"1719486"	1728.636793	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+NH4+HCOOH"	64.039293
"1185934"	577.855051333333	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+3Na"	68.967654
"1657650"	1733.592188	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Na+HCOOH"	68.994688
"170715"	3406.11404	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+2K-H"	76.91904
"608818"	5070.71154	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+2K-H"	76.91904
"1092236"	1741.51654	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2K-H"	76.91904
"149054"	1703.560658	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"2M+2K"	77.926316
"587523"	2535.859408	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"3M+2K"	77.926316
"1074222"	871.261908	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2K"	77.926316
"1102692"	1743.531092	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2K+H"	78.933592
"1344909"	1743.618707	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+DMSO+H"	79.021207
"1014534"	1747.657876	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2ACN+H"	83.060376
"1531565"	1748.651508	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+IsoProp+Na+H"	84.054008
"998013"	874.332576	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+2ACN+2H"	84.067652
"1597984"	1749.566128	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+K+HCOOH"	84.968628
"1428016"	1779.597638	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+H+CF3COOH"	115.000138
"1157209"	894.845851	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+3ACN+2H"	125.094202
"1710770"	1796.624185	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+NH4+CF3COOH"	132.026685
"1644596"	1801.57958	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+Na+CF3COOH"	136.98208
"1585716"	1817.55352	"C06510"	"Adenosine-GDP-cobinamide;Adenosylcobinamide-GDP"	"C68H97CoN21O21P2"	"1664.5975"	"M+K+CF3COOH"	152.95602
"803687"	596.2886	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M"	0
"986336"	577.27021	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-H2O-H"	-19.01839
"75671"	396.518457333333	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M-3H"	-3.021828
"509763"	595.281324	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M-3H"	-3.021828
"890846"	197.755590666667	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-3H"	-3.021828
"11610"	595.281324	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M-2H"	-2.014552
"455059"	893.425624	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M-2H"	-2.014552
"826784"	297.137024	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-2H"	-2.014552
"85682"	1191.569924	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M-H"	-1.007276
"521233"	1787.858524	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M-H"	-1.007276
"911042"	595.281324	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-H"	-1.007276
"62541"	1208.596471	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M-2H+NH4"	16.019271
"502429"	1804.885071	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M-2H+NH4"	16.019271
"876618"	612.307871	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-2H+NH4"	16.019271
"46754"	1213.551866	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M-2H+Na"	20.974666
"486718"	1809.840466	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M-2H+Na"	20.974666
"860058"	617.263266	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-2H+Na"	20.974666
"1630685"	617.263266	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Na-2H"	20.974666
"103932"	613.269663	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M-H+Cl"	33.962126
"546771"	911.413963	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M-H+Cl"	33.962126
"935911"	315.125363	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-H+Cl"	33.962126
"274466"	1227.546602	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+Cl"	34.969402
"667980"	1823.835202	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+Cl"	34.969402
"1280383"	631.258002	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Cl"	34.969402
"20023"	1229.525806	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M-2H+K"	36.948606
"459220"	1825.814406	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M-2H+K"	36.948606
"834834"	633.237206	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-2H+K"	36.948606
"1558322"	633.237206	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+K-2H"	36.948606
"945838"	641.286794	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-H+HCOOH"	44.998194
"364421"	1237.575401	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+HCOOH-H"	44.998201
"350493"	1251.591051	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+Hac-H"	59.013851
"1496046"	655.302451	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Hac-H"	59.013851
"962495"	663.268751	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-H+NaCOOH"	66.980151
"115773"	631.258002	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+2Cl"	69.938804
"556060"	929.402302	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+2Cl"	69.938804
"1023403"	333.113702	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2Cl"	69.938804
"1255749"	675.207485	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Br"	78.918885
"1317104"	677.263472	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Cl+HCOOH"	80.974872
"1333144"	699.245429	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Cl+NaCOOH"	102.956829
"916909"	709.274186	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M-H+CF3COOH"	112.985586
"1294710"	745.250864	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Cl+CF3COOH"	148.962264
"1375060"	561.275924	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H-2H2O"	-35.012676
"1391462"	579.2859	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H-H2O"	-17.0027
"288965"	1193.584476	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+H"	1.007276
"683576"	1789.873076	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+H"	1.007276
"1358830"	597.295876	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H"	1.007276
"135000"	597.295876	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+2H"	2.014552
"580517"	895.440176	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+2H"	2.014552
"1041902"	299.151576	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2H"	2.014552
"210172"	398.533009333333	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+3H"	3.021828
"651917"	597.295876	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+3H"	3.021828
"1168949"	199.770142666667	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+3H"	3.021828
"429671"	1210.611023	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+NH4"	18.033823
"800404"	1806.899623	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+NH4"	18.033823
"1694661"	614.322423	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+NH4"	18.033823
"344161"	605.8091495	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+H+NH4"	19.041099
"736098"	903.9534495	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+H+NH4"	19.041099
"1490644"	307.6648495	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H+NH4"	19.041099
"406404"	1215.566418	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+Na"	22.989218
"768007"	1811.855018	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+Na"	22.989218
"1616226"	619.277818	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Na"	22.989218
"326267"	608.286847	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+H+Na"	23.996494
"719417"	906.431147	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+H+Na"	23.996494
"1473603"	310.142547	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H+Na"	23.996494
"1059190"	207.097456666667	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2H+Na"	25.00377
"1267429"	629.322086	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+CH3OH+H"	33.033486
"388191"	1231.540358	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+K"	38.963158
"748824"	1827.828958	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+K"	38.963158
"1550147"	635.251758	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+K"	38.963158
"312064"	616.273817	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+H+K"	39.970434
"696468"	914.418117	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+H+K"	39.970434
"1448098"	318.129517	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H+K"	39.970434
"241076"	1234.611026	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+ACN+H"	42.033826
"1217072"	638.322426	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+ACN+H"	42.033826
"1207156"	319.664851	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+ACN+2H"	43.041102
"201128"	1237.54836	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+2Na-H"	44.97116
"641051"	1833.83696	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+2Na-H"	44.97116
"1144923"	641.25976	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2Na-H"	44.97116
"184202"	619.277818	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+2Na"	45.978436
"624492"	917.422118	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+2Na"	45.978436
"1125448"	321.133518	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2Na"	45.978436
"1410064"	214.424770666667	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H+2Na"	46.985712
"1441088"	643.301346	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H+HCOOH"	47.012746
"234066"	624.31084	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+3H2O+2H"	56.04448
"1520306"	657.35339	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+IsoProp+H"	61.06479
"416343"	627.264788	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+Na+K"	61.952376
"778433"	925.409088	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+Na+K"	61.952376
"1674400"	329.120488	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Na+K"	61.952376
"256907"	1256.592968	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+ACN+Na"	64.015768
"1226329"	660.304368	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+ACN+Na"	64.015768
"1719596"	660.327893	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+NH4+HCOOH"	64.039293
"1186044"	221.752084666667	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+3Na"	68.967654
"1657031"	665.283288	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Na+HCOOH"	68.994688
"171190"	1269.49624	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+2K-H"	76.91904
"610751"	1865.78484	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+2K-H"	76.91904
"1097449"	673.20764	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2K-H"	76.91904
"155120"	635.251758	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"2M+2K"	77.926316
"590913"	933.396058	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"3M+2K"	77.926316
"1079799"	337.107458	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2K"	77.926316
"1108635"	675.222192	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2K+H"	78.933592
"1348299"	675.309807	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+DMSO+H"	79.021207
"1019017"	679.348976	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2ACN+H"	83.060376
"1534955"	680.342608	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+IsoProp+Na+H"	84.054008
"998123"	340.178126	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+2ACN+2H"	84.067652
"1599187"	681.257228	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+K+HCOOH"	84.968628
"1428125"	711.288738	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+H+CF3COOH"	115.000138
"1155132"	360.691401	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+3ACN+2H"	125.094202
"1707964"	728.315285	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+NH4+CF3COOH"	132.026685
"1644706"	733.27068	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+Na+CF3COOH"	136.98208
"1585826"	749.24462	"C06511"	"Guattegaumerine;NN-Dimethyllindoldhamine"	"C36H40N2O6"	"596.2886"	"M+K+CF3COOH"	152.95602
"803069"	582.273	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M"	0
"986447"	563.25461	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-H2O-H"	-19.01839
"75417"	387.174724	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M-3H"	-3.021828
"509874"	581.265724	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M-3H"	-3.021828
"880746"	193.083724	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-3H"	-3.021828
"12814"	581.265724	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M-2H"	-2.014552
"454441"	872.402224	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M-2H"	-2.014552
"826894"	290.129224	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-2H"	-2.014552
"82876"	1163.538724	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M-H"	-1.007276
"528634"	1745.811724	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M-H"	-1.007276
"911067"	581.265724	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-H"	-1.007276
"61923"	1180.565271	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M-2H+NH4"	16.019271
"501358"	1762.838271	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M-2H+NH4"	16.019271
"878794"	598.292271	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-2H+NH4"	16.019271
"44264"	1185.520666	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M-2H+Na"	20.974666
"485165"	1767.793666	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M-2H+Na"	20.974666
"862845"	603.247666	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-2H+Na"	20.974666
"1632985"	603.247666	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Na-2H"	20.974666
"105136"	599.254063	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M-H+Cl"	33.962126
"541414"	890.390563	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M-H+Cl"	33.962126
"934928"	308.117563	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-H+Cl"	33.962126
"274576"	1199.515402	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+Cl"	34.969402
"669183"	1781.788402	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+Cl"	34.969402
"1275388"	617.242402	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Cl"	34.969402
"19768"	1201.494606	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M-2H+K"	36.948606
"458237"	1783.767606	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M-2H+K"	36.948606
"835308"	619.221606	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-2H+K"	36.948606
"1559527"	619.221606	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+K-2H"	36.948606
"945222"	627.271194	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-H+HCOOH"	44.998194
"366719"	1209.544201	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+HCOOH-H"	44.998201
"346187"	1223.559851	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+Hac-H"	59.013851
"1498346"	641.286851	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Hac-H"	59.013851
"960540"	649.253151	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-H+NaCOOH"	66.980151
"112605"	617.242402	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+2Cl"	69.938804
"551799"	908.378902	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+2Cl"	69.938804
"1022663"	326.105902	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2Cl"	69.938804
"1251484"	661.191885	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Br"	78.918885
"1317214"	663.247872	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Cl+HCOOH"	80.974872
"1333253"	685.229829	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Cl+NaCOOH"	102.956829
"914105"	695.258586	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M-H+CF3COOH"	112.985586
"1289719"	731.235264	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Cl+CF3COOH"	148.962264
"1375170"	547.260324	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H-2H2O"	-35.012676
"1389386"	565.2703	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H-H2O"	-17.0027
"289075"	1165.553276	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+H"	1.007276
"686966"	1747.826276	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+H"	1.007276
"1358940"	583.280276	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H"	1.007276
"129644"	583.280276	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+2H"	2.014552
"572484"	874.416776	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+2H"	2.014552
"1045659"	292.143776	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2H"	2.014552
"208823"	389.189276	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+3H"	3.021828
"646195"	583.280276	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+3H"	3.021828
"1166144"	195.098276	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+3H"	3.021828
"429781"	1182.579823	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+NH4"	18.033823
"800756"	1764.852823	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+NH4"	18.033823
"1696230"	600.306823	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+NH4"	18.033823
"344875"	591.7935495	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+H+NH4"	19.041099
"737662"	882.9300495	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+H+NH4"	19.041099
"1491480"	300.6570495	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H+NH4"	19.041099
"405054"	1187.535218	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+Na"	22.989218
"766052"	1769.808218	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+Na"	22.989218
"1616338"	605.262218	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Na"	22.989218
"327109"	594.271247	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+H+Na"	23.996494
"719891"	885.407747	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+H+Na"	23.996494
"1474808"	303.134747	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H+Na"	23.996494
"1064767"	202.42559	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2H+Na"	25.00377
"1267539"	615.306486	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+CH3OH+H"	33.033486
"388301"	1203.509158	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+K"	38.963158
"747111"	1785.782158	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+K"	38.963158
"1553174"	621.236158	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+K"	38.963158
"312903"	602.258217	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+H+K"	39.970434
"698765"	893.394717	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+H+K"	39.970434
"1450396"	311.121717	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H+K"	39.970434
"243372"	1206.579826	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+ACN+H"	42.033826
"1223990"	624.306826	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+ACN+H"	42.033826
"1209618"	312.657051	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+ACN+2H"	43.041102
"201604"	1209.51716	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+2Na-H"	44.97116
"639704"	1791.79016	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+2Na-H"	44.97116
"1142847"	627.24416	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2Na-H"	44.97116
"183584"	605.262218	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+2Na"	45.978436
"623143"	896.398718	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+2Na"	45.978436
"1123371"	314.125718	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2Na"	45.978436
"1405800"	209.752904	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H+2Na"	46.985712
"1434637"	629.285746	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H+HCOOH"	47.012746
"231988"	610.29524	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+3H2O+2H"	56.04448
"1519322"	643.33779	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+IsoProp+H"	61.06479
"414267"	613.249188	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+Na+K"	61.952376
"777450"	904.385688	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+Na+K"	61.952376
"1674510"	322.112688	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Na+K"	61.952376
"257019"	1228.561768	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+ACN+Na"	64.015768
"1228267"	646.288768	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+ACN+Na"	64.015768
"1717520"	646.312293	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+NH4+HCOOH"	64.039293
"1183968"	217.080218	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+3Na"	68.967654
"1650574"	651.267688	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Na+HCOOH"	68.994688
"171669"	1241.46504	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+2K-H"	76.91904
"609038"	1823.73804	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+2K-H"	76.91904
"1098897"	659.19204	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2K-H"	76.91904
"155835"	621.236158	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"2M+2K"	77.926316
"593210"	912.372658	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"3M+2K"	77.926316
"1083189"	330.099658	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2K"	77.926316
"1115425"	661.206592	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2K+H"	78.933592
"1350720"	661.294207	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+DMSO+H"	79.021207
"1019858"	665.333376	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2ACN+H"	83.060376
"1532879"	666.327008	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+IsoProp+Na+H"	84.054008
"1004190"	333.170326	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+2ACN+2H"	84.067652
"1600392"	667.241628	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+K+HCOOH"	84.968628
"1428966"	697.273138	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+H+CF3COOH"	115.000138
"1156335"	353.683601	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+3ACN+2H"	125.094202
"1706981"	714.299685	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+NH4+CF3COOH"	132.026685
"1641536"	719.25508	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+Na+CF3COOH"	136.98208
"1585936"	735.22902	"C06512"	"2-Norberbamunine"	"C35H38N2O6"	"582.273"	"M+K+CF3COOH"	152.95602
"803179"	594.273	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M"	0
"982183"	575.25461	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-H2O-H"	-19.01839
"72611"	395.174724	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M-3H"	-3.021828
"509984"	593.265724	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M-3H"	-3.021828
"880208"	197.083724	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-3H"	-3.021828
"12924"	593.265724	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M-2H"	-2.014552
"453942"	890.402224	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M-2H"	-2.014552
"827004"	296.129224	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-2H"	-2.014552
"82986"	1187.538724	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M-H"	-1.007276
"528744"	1781.811724	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M-H"	-1.007276
"911341"	593.265724	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-H"	-1.007276
"62619"	1204.565271	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M-2H+NH4"	16.019271
"502564"	1798.838271	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M-2H+NH4"	16.019271
"877567"	610.292271	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-2H+NH4"	16.019271
"46562"	1209.520666	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M-2H+Na"	20.974666
"486857"	1803.793666	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M-2H+Na"	20.974666
"863808"	615.247666	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-2H+Na"	20.974666
"1633098"	615.247666	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Na-2H"	20.974666
"107432"	611.254063	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M-H+Cl"	33.962126
"546992"	908.390563	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M-H+Cl"	33.962126
"935038"	314.117563	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-H+Cl"	33.962126
"274686"	1223.515402	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+Cl"	34.969402
"668200"	1817.788402	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+Cl"	34.969402
"1276228"	629.242402	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Cl"	34.969402
"19150"	1225.494606	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M-2H+K"	36.948606
"458347"	1819.767606	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M-2H+K"	36.948606
"834326"	631.221606	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-2H+K"	36.948606
"1559637"	631.221606	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+K-2H"	36.948606
"945696"	639.271194	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-H+HCOOH"	44.998194
"369016"	1233.544201	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+HCOOH-H"	44.998201
"346220"	1247.559851	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+Hac-H"	59.013851
"1496269"	653.286851	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Hac-H"	59.013851
"959430"	661.253151	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-H+NaCOOH"	66.980151
"111621"	629.242402	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+2Cl"	69.938804
"554459"	926.378902	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+2Cl"	69.938804
"1022650"	332.105902	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2Cl"	69.938804
"1251595"	673.191885	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Br"	78.918885
"1316231"	675.247872	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Cl+HCOOH"	80.974872
"1331542"	697.229829	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Cl+NaCOOH"	102.956829
"920412"	707.258586	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M-H+CF3COOH"	112.985586
"1292745"	743.235264	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Cl+CF3COOH"	148.962264
"1371999"	559.260324	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H-2H2O"	-35.012676
"1390589"	577.2703	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H-H2O"	-17.0027
"285902"	1189.553276	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+H"	1.007276
"680512"	1783.826276	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+H"	1.007276
"1356863"	595.280276	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H"	1.007276
"127930"	595.280276	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+2H"	2.014552
"569676"	892.416776	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+2H"	2.014552
"1041029"	298.143776	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2H"	2.014552
"207840"	397.189276	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+3H"	3.021828
"644966"	595.280276	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+3H"	3.021828
"1164431"	199.098276	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+3H"	3.021828
"428798"	1206.579823	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+NH4"	18.033823
"796728"	1800.852823	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+NH4"	18.033823
"1695613"	612.306823	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+NH4"	18.033823
"345515"	603.7935495	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+H+NH4"	19.041099
"738489"	900.9300495	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+H+NH4"	19.041099
"1491956"	306.6570495	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H+NH4"	19.041099
"404073"	1211.535218	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+Na"	22.989218
"767987"	1805.808218	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+Na"	22.989218
"1616448"	617.262218	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Na"	22.989218
"329041"	606.271247	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+H+Na"	23.996494
"717815"	903.407747	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+H+Na"	23.996494
"1476011"	309.134747	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H+Na"	23.996494
"1065971"	206.42559	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2H+Na"	25.00377
"1268743"	627.306486	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+CH3OH+H"	33.033486
"390234"	1227.509158	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+K"	38.963158
"750504"	1821.782158	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+K"	38.963158
"1554012"	633.236158	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+K"	38.963158
"312649"	614.258217	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+H+K"	39.970434
"697781"	911.394717	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+H+K"	39.970434
"1451600"	317.121717	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H+K"	39.970434
"243482"	1230.579826	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+ACN+H"	42.033826
"1216197"	636.306826	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+ACN+H"	42.033826
"1209202"	318.657051	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+ACN+2H"	43.041102
"200619"	1233.51716	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+2Na-H"	44.97116
"640178"	1827.79016	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+2Na-H"	44.97116
"1143320"	639.24416	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2Na-H"	44.97116
"184788"	617.262218	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+2Na"	45.978436
"623253"	914.398718	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+2Na"	45.978436
"1128949"	320.125718	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2Na"	45.978436
"1411016"	213.752904	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H+2Na"	46.985712
"1438028"	641.285746	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H+HCOOH"	47.012746
"232464"	622.29524	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+3H2O+2H"	56.04448
"1521620"	655.33779	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+IsoProp+H"	61.06479
"416563"	625.249188	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+Na+K"	61.952376
"777560"	922.385688	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+Na+K"	61.952376
"1673891"	328.112688	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Na+K"	61.952376
"258222"	1252.561768	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+ACN+Na"	64.015768
"1227648"	658.288768	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+ACN+Na"	64.015768
"1716166"	658.312293	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+NH4+HCOOH"	64.039293
"1181160"	221.080218	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+3Na"	68.967654
"1651414"	663.267688	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Na+HCOOH"	68.994688
"172022"	1265.46504	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+2K-H"	76.91904
"611581"	1859.73804	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+2K-H"	76.91904
"1099011"	671.19204	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2K-H"	76.91904
"154732"	633.236158	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"2M+2K"	77.926316
"595507"	930.372658	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"3M+2K"	77.926316
"1084034"	336.099658	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2K"	77.926316
"1114325"	673.206592	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2K+H"	78.933592
"1350830"	673.294207	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+DMSO+H"	79.021207
"1021064"	677.333376	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2ACN+H"	83.060376
"1539065"	678.327008	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+IsoProp+Na+H"	84.054008
"1004907"	339.170326	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+2ACN+2H"	84.067652
"1602690"	679.241628	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+K+HCOOH"	84.968628
"1427251"	709.273138	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+H+CF3COOH"	115.000138
"1158632"	359.683601	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+3ACN+2H"	125.094202
"1705996"	726.299685	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+NH4+CF3COOH"	132.026685
"1641646"	731.25508	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+Na+CF3COOH"	136.98208
"1582766"	747.22902	"C06513"	"Obamegine;()-Obamegine;Stepholine"	"C36H38N2O6"	"594.273"	"M+K+CF3COOH"	152.95602
"805475"	594.273	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M"	0
"986666"	575.25461	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-H2O-H"	-19.01839
"72721"	395.174724	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M-3H"	-3.021828
"510094"	593.265724	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M-3H"	-3.021828
"884248"	197.083724	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-3H"	-3.021828
"13763"	593.265724	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M-2H"	-2.014552
"455024"	890.402224	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M-2H"	-2.014552
"827114"	296.129224	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-2H"	-2.014552
"83096"	1187.538724	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M-H"	-1.007276
"533110"	1781.811724	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M-H"	-1.007276
"911171"	593.265724	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-H"	-1.007276
"62808"	1204.565271	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M-2H+NH4"	16.019271
"501821"	1798.838271	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M-2H+NH4"	16.019271
"876947"	610.292271	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-2H+NH4"	16.019271
"44117"	1209.520666	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M-2H+Na"	20.974666
"486600"	1803.793666	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M-2H+Na"	20.974666
"863549"	615.247666	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-2H+Na"	20.974666
"1633201"	615.247666	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Na-2H"	20.974666
"106449"	611.254063	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M-H+Cl"	33.962126
"548925"	908.390563	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M-H+Cl"	33.962126
"937336"	314.117563	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-H+Cl"	33.962126
"274796"	1223.515402	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+Cl"	34.969402
"671589"	1817.788402	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+Cl"	34.969402
"1277432"	629.242402	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Cl"	34.969402
"19260"	1225.494606	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M-2H+K"	36.948606
"457728"	1819.767606	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M-2H+K"	36.948606
"835527"	631.221606	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-2H+K"	36.948606
"1557918"	631.221606	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+K-2H"	36.948606
"945442"	639.271194	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-H+HCOOH"	44.998194
"363658"	1233.544201	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+HCOOH-H"	44.998201
"347546"	1247.559851	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+Hac-H"	59.013851
"1496379"	653.286851	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Hac-H"	59.013851
"959300"	661.253151	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-H+NaCOOH"	66.980151
"111365"	629.242402	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+2Cl"	69.938804
"553840"	926.378902	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+2Cl"	69.938804
"1023003"	332.105902	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2Cl"	69.938804
"1252798"	673.191885	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Br"	78.918885
"1316341"	675.247872	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Cl+HCOOH"	80.974872
"1333474"	697.229829	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Cl+NaCOOH"	102.956829
"920522"	707.258586	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M-H+CF3COOH"	112.985586
"1293219"	743.235264	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Cl+CF3COOH"	148.962264
"1371380"	559.260324	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H-2H2O"	-35.012676
"1390699"	577.2703	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H-H2O"	-17.0027
"284311"	1189.553276	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+H"	1.007276
"684997"	1783.826276	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+H"	1.007276
"1356244"	595.280276	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H"	1.007276
"129498"	595.280276	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+2H"	2.014552
"569786"	892.416776	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+2H"	2.014552
"1040411"	298.143776	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2H"	2.014552
"208679"	397.189276	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+3H"	3.021828
"646412"	595.280276	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+3H"	3.021828
"1165630"	199.098276	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+3H"	3.021828
"426721"	1206.579823	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+NH4"	18.033823
"796838"	1800.852823	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+NH4"	18.033823
"1696086"	612.306823	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+NH4"	18.033823
"345101"	603.7935495	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+H+NH4"	19.041099
"737971"	900.9300495	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+H+NH4"	19.041099
"1492311"	306.6570495	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H+NH4"	19.041099
"404183"	1211.535218	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+Na"	22.989218
"769189"	1805.808218	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+Na"	22.989218
"1616558"	617.262218	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Na"	22.989218
"328057"	606.271247	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+H+Na"	23.996494
"719019"	903.407747	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+H+Na"	23.996494
"1474299"	309.134747	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H+Na"	23.996494
"1066081"	206.42559	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2H+Na"	25.00377
"1269585"	627.306486	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+CH3OH+H"	33.033486
"389251"	1227.509158	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+K"	38.963158
"751706"	1821.782158	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+K"	38.963158
"1546102"	633.236158	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+K"	38.963158
"313002"	614.258217	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+H+K"	39.970434
"702265"	911.394717	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+H+K"	39.970434
"1454990"	317.121717	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H+K"	39.970434
"241770"	1230.579826	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+ACN+H"	42.033826
"1220682"	636.306826	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+ACN+H"	42.033826
"1209676"	318.657051	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+ACN+2H"	43.041102
"200728"	1233.51716	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+2Na-H"	44.97116
"641384"	1827.79016	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+2Na-H"	44.97116
"1142701"	639.24416	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2Na-H"	44.97116
"181619"	617.262218	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+2Na"	45.978436
"621176"	914.398718	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+2Na"	45.978436
"1129057"	320.125718	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2Na"	45.978436
"1412581"	213.752904	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H+2Na"	46.985712
"1440325"	641.285746	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H+HCOOH"	47.012746
"234759"	622.29524	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+3H2O+2H"	56.04448
"1522457"	655.33779	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+IsoProp+H"	61.06479
"417766"	625.249188	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+Na+K"	61.952376
"782042"	922.385688	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+Na+K"	61.952376
"1675822"	328.112688	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Na+K"	61.952376
"259425"	1252.561768	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+ACN+Na"	64.015768
"1228123"	658.288768	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+ACN+Na"	64.015768
"1715912"	658.312293	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+NH4+HCOOH"	64.039293
"1180177"	221.080218	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+3Na"	68.967654
"1652009"	663.267688	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Na+HCOOH"	68.994688
"170789"	1265.46504	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+2K-H"	76.91904
"611936"	1859.73804	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+2K-H"	76.91904
"1099243"	671.19204	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2K-H"	76.91904
"154841"	633.236158	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"2M+2K"	77.926316
"596840"	930.372658	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"3M+2K"	77.926316
"1083415"	336.099658	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2K"	77.926316
"1114678"	673.206592	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2K+H"	78.933592
"1351108"	673.294207	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+DMSO+H"	79.021207
"1020322"	677.333376	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2ACN+H"	83.060376
"1537472"	678.327008	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+IsoProp+Na+H"	84.054008
"1004530"	339.170326	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+2ACN+2H"	84.067652
"1601702"	679.241628	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+K+HCOOH"	84.968628
"1427360"	709.273138	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+H+CF3COOH"	115.000138
"1153274"	359.683601	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+3ACN+2H"	125.094202
"1703918"	726.299685	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+NH4+CF3COOH"	132.026685
"1641756"	731.25508	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+Na+CF3COOH"	136.98208
"1582876"	747.22902	"C06514"	"Aromoline"	"C36H38N2O6"	"594.273"	"M+K+CF3COOH"	152.95602
"803399"	596.2886	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M"	0
"984590"	577.27021	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-H2O-H"	-19.01839
"69551"	396.518457333333	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M-3H"	-3.021828
"508017"	595.281324	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M-3H"	-3.021828
"880834"	197.755590666667	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-3H"	-3.021828
"14603"	595.281324	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M-2H"	-2.014552
"454890"	893.425624	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M-2H"	-2.014552
"823944"	297.137024	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-2H"	-2.014552
"82842"	1191.569924	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M-H"	-1.007276
"532854"	1787.858524	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M-H"	-1.007276
"911199"	595.281324	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-H"	-1.007276
"62796"	1208.596471	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M-2H+NH4"	16.019271
"501567"	1804.885071	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M-2H+NH4"	16.019271
"874141"	612.307871	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-2H+NH4"	16.019271
"44228"	1213.551866	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M-2H+Na"	20.974666
"486304"	1809.840466	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M-2H+Na"	20.974666
"863781"	617.263266	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-2H+Na"	20.974666
"1633879"	617.263266	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Na-2H"	20.974666
"105101"	613.269663	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M-H+Cl"	33.962126
"546119"	911.413963	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M-H+Cl"	33.962126
"937446"	315.125363	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-H+Cl"	33.962126
"273813"	1227.546602	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+Cl"	34.969402
"668419"	1823.835202	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+Cl"	34.969402
"1277542"	631.258002	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Cl"	34.969402
"22286"	1229.525806	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M-2H+K"	36.948606
"457474"	1825.814406	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M-2H+K"	36.948606
"834180"	633.237206	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-2H+K"	36.948606
"1557664"	633.237206	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+K-2H"	36.948606
"945552"	641.286794	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-H+HCOOH"	44.998194
"368143"	1237.575401	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+HCOOH-H"	44.998201
"347656"	1251.591051	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+Hac-H"	59.013851
"1496489"	655.302451	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Hac-H"	59.013851
"959655"	663.268751	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-H+NaCOOH"	66.980151
"112934"	631.258002	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+2Cl"	69.938804
"551401"	929.402302	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+2Cl"	69.938804
"1022022"	333.113702	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2Cl"	69.938804
"1252908"	675.207485	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Br"	78.918885
"1316451"	677.263472	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Cl+HCOOH"	80.974872
"1328479"	699.245429	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Cl+NaCOOH"	102.956829
"920632"	709.274186	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M-H+CF3COOH"	112.985586
"1291872"	745.250864	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Cl+CF3COOH"	148.962264
"1371126"	561.275924	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H-2H2O"	-35.012676
"1387529"	579.2859	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H-H2O"	-17.0027
"283165"	1193.584476	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+H"	1.007276
"681827"	1789.873076	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+H"	1.007276
"1355990"	597.295876	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H"	1.007276
"129245"	597.295876	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+2H"	2.014552
"569534"	895.440176	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+2H"	2.014552
"1039428"	299.151576	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2H"	2.014552
"207696"	398.533009333333	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+3H"	3.021828
"645066"	597.295876	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+3H"	3.021828
"1163430"	199.770142666667	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+3H"	3.021828
"429385"	1210.611023	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+NH4"	18.033823
"798041"	1806.899623	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+NH4"	18.033823
"1694740"	614.322423	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+NH4"	18.033823
"345213"	605.8091495	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+H+NH4"	19.041099
"738351"	903.9534495	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+H+NH4"	19.041099
"1492342"	307.6648495	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H+NH4"	19.041099
"404658"	1215.566418	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+Na"	22.989218
"768814"	1811.855018	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+Na"	22.989218
"1617037"	619.277818	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Na"	22.989218
"327803"	608.286847	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+H+Na"	23.996494
"718766"	906.431147	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+H+Na"	23.996494
"1475137"	310.142547	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H+Na"	23.996494
"1064371"	207.097456666667	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2H+Na"	25.00377
"1268603"	629.322086	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+CH3OH+H"	33.033486
"388633"	1231.540358	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+K"	38.963158
"751452"	1827.828958	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+K"	38.963158
"1547305"	635.251758	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+K"	38.963158
"312140"	616.273817	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+H+K"	39.970434
"700188"	914.418117	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+H+K"	39.970434
"1454007"	318.129517	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H+K"	39.970434
"239329"	1234.611026	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+ACN+H"	42.033826
"1224072"	638.322426	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+ACN+H"	42.033826
"1209665"	319.664851	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+ACN+2H"	43.041102
"202662"	1237.54836	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+2Na-H"	44.97116
"641492"	1833.83696	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+2Na-H"	44.97116
"1143540"	641.25976	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2Na-H"	44.97116
"186101"	619.277818	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+2Na"	45.978436
"624566"	917.422118	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+2Na"	45.978436
"1129167"	321.133518	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2Na"	45.978436
"1410502"	214.424770666667	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H+2Na"	46.985712
"1443714"	643.301346	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H+HCOOH"	47.012746
"235477"	624.31084	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+3H2O+2H"	56.04448
"1522567"	657.35339	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+IsoProp+H"	61.06479
"416783"	627.264788	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+Na+K"	61.952376
"781059"	925.409088	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+Na+K"	61.952376
"1680307"	329.120488	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Na+K"	61.952376
"259535"	1256.592968	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+ACN+Na"	64.015768
"1234430"	660.304368	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+ACN+Na"	64.015768
"1714928"	660.327893	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+NH4+HCOOH"	64.039293
"1179923"	221.752084666667	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+3Na"	68.967654
"1651267"	665.283288	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Na+HCOOH"	68.994688
"169806"	1269.49624	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+2K-H"	76.91904
"612289"	1865.78484	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+2K-H"	76.91904
"1099435"	673.20764	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2K-H"	76.91904
"153979"	635.251758	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"2M+2K"	77.926316
"596909"	933.396058	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"3M+2K"	77.926316
"1084053"	337.107458	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2K"	77.926316
"1115030"	675.222192	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2K+H"	78.933592
"1350929"	675.309807	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+DMSO+H"	79.021207
"1019456"	679.348976	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2ACN+H"	83.060376
"1537582"	680.342608	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+IsoProp+Na+H"	84.054008
"1004030"	340.178126	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+2ACN+2H"	84.067652
"1602672"	681.257228	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+K+HCOOH"	84.968628
"1427470"	711.288738	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+H+CF3COOH"	115.000138
"1153384"	360.691401	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+3ACN+2H"	125.094202
"1704028"	728.315285	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+NH4+CF3COOH"	132.026685
"1641866"	733.27068	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+Na+CF3COOH"	136.98208
"1586266"	749.24462	"C06515"	"Magnoline"	"C36H40N2O6"	"596.2886"	"M+K+CF3COOH"	152.95602
"810070"	315.1471	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M"	0
"984700"	296.12871	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"69661"	209.090790666667	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"513595"	314.139824	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"888115"	104.041757333333	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"14471"	314.139824	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"454154"	471.713374	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"831712"	156.566274	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"86233"	629.286924	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"532844"	944.434024	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"910653"	314.139824	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"62604"	646.313471	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"501796"	961.460571	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"879481"	331.166371	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"44339"	651.268866	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"486213"	966.415966	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"863403"	336.121766	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1632692"	336.121766	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"105575"	332.128163	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"545136"	489.701713	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"939743"	174.554613	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"275020"	665.263602	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"666347"	980.410702	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1276195"	350.116502	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"20210"	667.242806	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"459771"	982.389906	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"835385"	352.095706	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1558872"	352.095706	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"946758"	360.145294	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"367163"	675.292401	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"348861"	689.308051	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1499881"	374.160951	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"963047"	382.127251	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"115234"	350.116502	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"551513"	507.690052	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1023594"	192.542952	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1254111"	394.065985	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1312186"	396.121972	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1321296"	418.103929	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"915273"	428.132686	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1291250"	464.109364	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1369048"	280.134424	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1387639"	298.1444	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"291700"	631.301476	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"685216"	946.448576	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1361565"	316.154376	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"132270"	316.154376	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"572925"	473.727926	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1047195"	158.580826	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"206713"	211.105342666667	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"650283"	316.154376	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1166220"	106.056309333333	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"437152"	648.328023	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"799610"	963.475123	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1695939"	333.180923	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"342765"	324.6676495	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"737744"	482.2411995	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1491558"	167.0940995	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"406593"	653.283418	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"769051"	968.430518	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1616053"	338.136318	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"325723"	327.145347	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"717054"	484.718897	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1476223"	169.571797	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1064480"	113.383623333333	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1268711"	348.180586	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"390932"	669.257358	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"750833"	984.404458	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1548510"	354.110258	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"311886"	335.132317	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"702485"	492.705867	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1454117"	177.558767	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"241625"	672.328026	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1219442"	357.180926	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1209741"	179.094101	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"202035"	675.26536	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"643424"	990.41246	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1142921"	360.11826	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"184025"	338.136318	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"622490"	495.709868	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1127091"	180.562768	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1410248"	120.710937333333	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1443824"	362.159846	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"233886"	343.16934	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1520489"	376.21189	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"416529"	346.123288	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"780805"	503.696838	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1680053"	188.549738	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"259645"	694.309968	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1231260"	379.162868	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1716130"	379.186393	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1180033"	128.038251333333	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1652475"	384.141788	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"171009"	707.21324	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"608387"	1022.36034	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1098609"	392.06614	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"154088"	354.110258	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"594742"	511.683808	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1081441"	196.536708	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1112462"	394.080692	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1349941"	394.168307	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1017378"	398.207476	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1537691"	399.201108	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"1004871"	199.607376	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1596453"	400.115728	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1418832"	430.147238	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1149117"	220.120651	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1698670"	447.173785	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1636508"	452.12918	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1586376"	468.10312	"C06516"	"(R)-Norreticuline;N-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"815529"	301.1314	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M"	0
"981529"	282.11301	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"69771"	199.746990666667	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"513705"	300.124124	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"886038"	99.3698573333333	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"14457"	300.124124	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"454143"	450.689824	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"831943"	149.558424	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"86343"	601.255524	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"533075"	902.386924	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"911014"	300.124124	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"62594"	618.282071	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"502273"	919.413471	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"877644"	317.150671	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"44328"	623.237466	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"485955"	924.368866	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"864101"	322.106066	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1632681"	322.106066	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"105685"	318.112463	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"543059"	468.678163	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"931105"	167.546763	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"271849"	637.232202	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"664270"	938.363602	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1274117"	336.100802	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"16674"	639.211406	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"456965"	940.342806	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"835495"	338.080006	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1556797"	338.080006	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"946868"	346.129594	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"363992"	647.261001	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"348971"	661.276651	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1499990"	360.145251	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"959876"	368.111551	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"112064"	336.100802	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"550530"	486.666502	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1023704"	185.535102	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1250942"	380.050285	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1310109"	382.106272	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1321040"	404.088229	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"913922"	414.116986	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1291355"	450.093664	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1368789"	266.118724	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1387749"	284.1287	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"284519"	603.270076	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"682046"	904.401476	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1364955"	302.138676	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"131287"	302.138676	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"573035"	452.704376	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1044024"	151.572976	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"207552"	201.761542666667	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"644715"	302.138676	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1164500"	101.384409333333	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"426687"	620.296623	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"800452"	921.428023	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1696293"	319.165223	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"343605"	310.6519495	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"737490"	461.2176495	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1490575"	160.0862495	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"406338"	625.252018	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"768795"	926.383418	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1614704"	324.120618	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"325467"	313.129647	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"718620"	463.695347	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1473900"	162.563947	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1063862"	108.711723333333	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1268821"	334.164886	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"392013"	641.225958	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"750943"	942.357358	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1548620"	340.094558	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"311268"	321.116617	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"703326"	471.682317	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1453134"	170.550917	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"241736"	644.296626	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1219552"	343.165226	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1207461"	172.086251	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"201417"	647.23396	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"642439"	948.36536	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1143759"	346.10256	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"183040"	324.120618	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"621142"	474.686318	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1126108"	173.554918	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1409266"	116.039037333333	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1443206"	348.144146	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"233632"	329.15364	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1519505"	362.19619	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"415910"	332.107588	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"780915"	482.673288	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1677247"	181.541888	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"259755"	666.278568	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1231370"	365.147168	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1717698"	365.170693	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1183423"	123.366351333333	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1651004"	370.126088	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"172585"	679.18184	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"610683"	980.31324	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1099085"	378.05044	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"156387"	340.094558	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"594851"	490.660258	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1083131"	189.528858	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1114520"	380.064992	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1350051"	380.152607	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1017488"	384.191776	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1538652"	385.185408	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"1005102"	192.599526	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1596563"	386.100028	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1418942"	416.131538	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1149591"	213.112801	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1698780"	433.158085	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1636618"	438.11348	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1586486"	454.08742	"C06517"	"(S)-6-O-Methylnorlaudanosoline;(S)-3-Hydroxycoclaurine"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"810290"	315.1471	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M"	0
"983826"	296.12871	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"69881"	209.090790666667	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"513814"	314.139824	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"888336"	104.041757333333	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"12380"	314.139824	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"453034"	471.713374	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"830835"	156.566274	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"86453"	629.286924	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"533799"	944.434024	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"910035"	314.139824	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"60763"	646.313471	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"501779"	961.460571	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"878363"	331.166371	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"44559"	651.268866	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"485459"	966.415966	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"863382"	336.121766	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1633767"	336.121766	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"107985"	332.128163	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"545357"	489.701713	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"941302"	174.554613	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"281565"	665.263602	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"664381"	980.410702	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1281156"	350.116502	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"18245"	667.242806	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"461085"	982.389906	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"837793"	352.095706	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1561281"	352.095706	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"949165"	360.145294	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"365195"	675.292401	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"351267"	689.308051	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1500100"	374.160951	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"959986"	382.127251	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"112174"	350.116502	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"552826"	507.690052	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1026001"	192.542952	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1251052"	394.065985	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1313500"	396.121972	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1322246"	418.103929	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"914033"	428.132686	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1288920"	464.109364	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1367927"	280.134424	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1387859"	298.1444	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"283655"	631.301476	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"685436"	946.448576	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1362878"	316.154376	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"132491"	316.154376	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"573510"	473.727926	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1041949"	158.580826	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"208756"	211.105342666667	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"647584"	316.154376	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1163883"	106.056309333333	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"429713"	648.328023	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"800851"	963.475123	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1696166"	333.180923	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"345134"	324.6676495	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"737844"	482.2411995	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1491660"	167.0940995	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"407788"	653.283418	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"768783"	968.430518	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1617696"	338.136318	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"327039"	327.145347	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"721529"	484.718897	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1476323"	169.571797	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1068232"	113.383623333333	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1271846"	348.180586	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"390056"	669.257358	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"754055"	984.404458	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1550917"	354.110258	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"312835"	335.132317	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"703796"	492.705867	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1454338"	177.558767	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"242939"	672.328026	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1213826"	357.180926	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1208299"	179.094101	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"202622"	675.26536	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"642914"	990.41246	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1144236"	360.11826	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"186435"	338.136318	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"621617"	495.709868	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1128771"	180.562768	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1411564"	120.710937333333	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1434203"	362.159846	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"231552"	343.16934	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1515241"	376.21189	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"415656"	346.123288	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"773734"	503.696838	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1668605"	188.549738	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"258038"	694.309968	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1232571"	379.162868	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1719266"	379.186393	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1182436"	128.038251333333	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1654517"	384.141788	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"170133"	707.21324	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"610793"	1022.36034	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1099318"	392.06614	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"156499"	354.110258	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"596954"	511.683808	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1084057"	196.536708	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1110494"	394.080692	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1350742"	394.168307	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1021170"	398.207476	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1539460"	399.201108	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"1005212"	199.607376	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1596673"	400.115728	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1419052"	430.147238	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1148973"	220.120651	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1698161"	447.173785	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1636728"	452.12918	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1586596"	468.10312	"C06518"	"(S)-Nororientaline"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"810400"	315.1471	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M"	0
"980656"	296.12871	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"66711"	209.090790666667	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"513925"	314.139824	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"885166"	104.041757333333	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"11398"	314.139824	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"452051"	471.713374	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"830945"	156.566274	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"86563"	629.286924	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"533905"	944.434024	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"911198"	314.139824	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"62090"	646.313471	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"502660"	961.460571	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"879365"	331.166371	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"44669"	651.268866	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"486296"	966.415966	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"863979"	336.121766	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1632656"	336.121766	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"108823"	332.128163	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"547654"	489.701713	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"938981"	174.554613	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"281670"	665.263602	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"664491"	980.410702	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1281266"	350.116502	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"21635"	667.242806	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"459009"	982.389906	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"837903"	352.095706	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1558111"	352.095706	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"947088"	360.145294	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"365305"	675.292401	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"351377"	689.308051	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1500210"	374.160951	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"960096"	382.127251	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"113377"	350.116502	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"555122"	507.690052	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1025018"	192.542952	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1244594"	394.065985	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1313610"	396.121972	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1321628"	418.103929	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"912684"	428.132686	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1290123"	464.109364	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1367554"	280.134424	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1387969"	298.1444	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"283281"	631.301476	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"685546"	946.448576	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1361895"	316.154376	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"130778"	316.154376	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"569609"	473.727926	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1043152"	158.580826	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"208866"	211.105342666667	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"648058"	316.154376	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1164356"	106.056309333333	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"429823"	648.328023	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"799947"	963.475123	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1696156"	333.180923	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"343821"	324.6676495	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"736237"	482.2411995	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1492257"	167.0940995	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"408370"	653.283418	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"768893"	968.430518	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1617842"	338.136318	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"328236"	327.145347	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"719566"	484.718897	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1475209"	169.571797	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1062256"	113.383623333333	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1270496"	348.180586	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"391259"	669.257358	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"752254"	984.404458	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1547745"	354.110258	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"310390"	335.132317	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"704999"	492.705867	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1453354"	177.558767	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"241956"	672.328026	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1213572"	357.180926	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1208167"	179.094101	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"203708"	675.26536	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"643268"	990.41246	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1144342"	360.11826	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"179981"	338.136318	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"618446"	495.709868	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1124138"	180.562768	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1411309"	120.710937333333	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1436500"	362.159846	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"230568"	343.16934	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1516445"	376.21189	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"419048"	346.123288	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"778948"	503.696838	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1675644"	188.549738	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"253412"	694.309968	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1228673"	379.162868	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1719377"	379.186393	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1183640"	128.038251333333	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1653532"	384.141788	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"169150"	707.21324	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"612119"	1022.36034	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1099549"	392.06614	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"156933"	354.110258	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"596740"	511.683808	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1083597"	196.536708	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1110604"	394.080692	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1351005"	394.168307	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1020383"	398.207476	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1539674"	399.201108	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"1004956"	199.607376	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1596783"	400.115728	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1419162"	430.147238	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1147990"	220.120651	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1697907"	447.173785	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1635745"	452.12918	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1586706"	468.10312	"C06520"	"(S)-Norreticuline"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"810510"	224.1889	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M"	0
"984046"	205.17051	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-H2O-H"	-19.01839
"67914"	148.451990666667	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M-3H"	-3.021828
"510755"	223.181624	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M-3H"	-3.021828
"886369"	73.7223573333333	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-3H"	-3.021828
"12601"	223.181624	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M-2H"	-2.014552
"448881"	335.276074	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M-2H"	-2.014552
"830934"	111.087174	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-2H"	-2.014552
"88859"	447.370524	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M-H"	-1.007276
"532680"	671.559424	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M-H"	-1.007276
"911222"	223.181624	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-H"	-1.007276
"61347"	464.397071	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M-2H+NH4"	16.019271
"502445"	688.585971	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M-2H+NH4"	16.019271
"879856"	240.208171	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-2H+NH4"	16.019271
"46603"	469.352466	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M-2H+Na"	20.974666
"486533"	693.541366	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M-2H+Na"	20.974666
"864180"	245.163566	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-2H+Na"	20.974666
"1634128"	245.163566	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Na-2H"	20.974666
"107109"	241.169963	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M-H+Cl"	33.962126
"548856"	353.264413	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M-H+Cl"	33.962126
"939090"	129.075513	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-H+Cl"	33.962126
"277647"	483.347202	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+Cl"	34.969402
"664601"	707.536102	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+Cl"	34.969402
"1284656"	259.158302	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Cl"	34.969402
"25025"	485.326406	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M-2H+K"	36.948606
"459119"	709.515306	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M-2H+K"	36.948606
"835826"	261.137506	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-2H+K"	36.948606
"1558221"	261.137506	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+K-2H"	36.948606
"948292"	269.187094	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-H+HCOOH"	44.998194
"368695"	493.376001	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+HCOOH-H"	44.998201
"351487"	507.391651	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+Hac-H"	59.013851
"1505787"	283.202751	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Hac-H"	59.013851
"960206"	291.169051	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-H+NaCOOH"	66.980151
"114580"	259.158302	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+2Cl"	69.938804
"552317"	371.252752	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+2Cl"	69.938804
"1025128"	147.063852	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2Cl"	69.938804
"1243612"	303.107785	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Br"	78.918885
"1312627"	305.163772	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Cl+HCOOH"	80.974872
"1321738"	327.145729	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Cl+NaCOOH"	102.956829
"913888"	337.174486	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M-H+CF3COOH"	112.985586
"1293514"	373.151164	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Cl+CF3COOH"	148.962264
"1367459"	189.176224	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H-2H2O"	-35.012676
"1383094"	207.1862	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H-H2O"	-17.0027
"284484"	449.385076	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+H"	1.007276
"682373"	673.573976	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+H"	1.007276
"1357629"	225.196176	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H"	1.007276
"132710"	225.196176	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+2H"	2.014552
"571177"	337.290626	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+2H"	2.014552
"1044356"	113.101726	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2H"	2.014552
"210069"	150.466542666667	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+3H"	3.021828
"647076"	225.196176	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+3H"	3.021828
"1165195"	75.7369093333333	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+3H"	3.021828
"429933"	466.411623	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+NH4"	18.033823
"800298"	690.600523	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+NH4"	18.033823
"1696259"	242.222723	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+NH4"	18.033823
"344052"	233.7094495	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+H+NH4"	19.041099
"736347"	345.8038995	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+H+NH4"	19.041099
"1492117"	121.6149995	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H+NH4"	19.041099
"407764"	471.367018	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+Na"	22.989218
"768392"	695.555918	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+Na"	22.989218
"1617222"	247.178118	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Na"	22.989218
"327253"	236.187147	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+H+Na"	23.996494
"718583"	348.281597	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+H+Na"	23.996494
"1473861"	124.092697	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H+Na"	23.996494
"1060180"	83.0642233333333	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2H+Na"	25.00377
"1265867"	257.222386	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+CH3OH+H"	33.033486
"386630"	487.340958	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+K"	38.963158
"747989"	711.529858	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+K"	38.963158
"1543482"	263.152058	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+K"	38.963158
"307220"	244.174117	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+H+K"	39.970434
"701829"	356.268567	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+H+K"	39.970434
"1453464"	132.079667	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H+K"	39.970434
"240972"	490.411626	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+ACN+H"	42.033826
"1215869"	266.222726	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+ACN+H"	42.033826
"1208155"	133.615001	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+ACN+2H"	43.041102
"203209"	493.34896	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+2Na-H"	44.97116
"642407"	717.53786	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+2Na-H"	44.97116
"1144451"	269.16006	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2Na-H"	44.97116
"184829"	247.178118	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+2Na"	45.978436
"621837"	359.272568	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+2Na"	45.978436
"1128990"	135.083668	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2Na"	45.978436
"1413243"	90.3915373333333	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H+2Na"	46.985712
"1439891"	271.201646	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H+HCOOH"	47.012746
"230679"	252.21114	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+3H2O+2H"	56.04448
"1518742"	285.25369	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+IsoProp+H"	61.06479
"419157"	255.165088	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+Na+K"	61.952376
"779058"	367.259538	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+Na+K"	61.952376
"1675389"	143.070638	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Na+K"	61.952376
"253522"	512.393568	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+ACN+Na"	64.015768
"1229876"	288.204668	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+ACN+Na"	64.015768
"1720581"	288.228193	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+NH4+HCOOH"	64.039293
"1183750"	97.7188513333333	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+3Na"	68.967654
"1653643"	293.183588	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Na+HCOOH"	68.994688
"169260"	525.29684	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+2K-H"	76.91904
"611742"	749.48574	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+2K-H"	76.91904
"1099747"	301.10794	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2K-H"	76.91904
"157046"	263.152058	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"2M+2K"	77.926316
"596402"	375.246508	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"3M+2K"	77.926316
"1084184"	151.057608	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2K"	77.926316
"1115418"	303.122492	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2K+H"	78.933592
"1351003"	303.210107	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+DMSO+H"	79.021207
"1021232"	307.249276	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2ACN+H"	83.060376
"1539851"	308.242908	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+IsoProp+Na+H"	84.054008
"1005554"	154.128276	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+2ACN+2H"	84.067652
"1596893"	309.157528	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+K+HCOOH"	84.968628
"1419272"	339.189038	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+H+CF3COOH"	115.000138
"1148829"	174.641551	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+3ACN+2H"	125.094202
"1698017"	356.215585	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+NH4+CF3COOH"	132.026685
"1635855"	361.17098	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+Na+CF3COOH"	136.98208
"1586816"	377.14492	"C06521"	"Cuscohygrine;Cuskhygrine"	"C13H24N2O"	"224.1889"	"M+K+CF3COOH"	152.95602
"810620"	334.1681	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M"	0
"980876"	315.14971	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-H2O-H"	-19.01839
"70211"	221.771457333333	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M-3H"	-3.021828
"510865"	333.160824	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M-3H"	-3.021828
"884292"	110.382090666667	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-3H"	-3.021828
"13804"	333.160824	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M-2H"	-2.014552
"453363"	500.244874	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M-2H"	-2.014552
"831655"	166.076774	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-2H"	-2.014552
"92618"	667.328924	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M-H"	-1.007276
"534055"	1001.497024	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M-H"	-1.007276
"909266"	333.160824	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-H"	-1.007276
"61211"	684.355471	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M-2H+NH4"	16.019271
"501742"	1018.523571	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M-2H+NH4"	16.019271
"877239"	350.187371	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-2H+NH4"	16.019271
"45987"	689.310866	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M-2H+Na"	20.974666
"482267"	1023.478966	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M-2H+Na"	20.974666
"863347"	355.142766	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-2H+Na"	20.974666
"1632393"	355.142766	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Na-2H"	20.974666
"107219"	351.149163	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M-H+Cl"	33.962126
"545687"	518.233213	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M-H+Cl"	33.962126
"938108"	184.065113	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-H+Cl"	33.962126
"276663"	703.305602	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+Cl"	34.969402
"670178"	1037.473702	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+Cl"	34.969402
"1281486"	369.137502	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Cl"	34.969402
"21855"	705.284806	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M-2H+K"	36.948606
"458135"	1039.452906	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M-2H+K"	36.948606
"838123"	371.116706	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-2H+K"	36.948606
"1560518"	371.116706	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+K-2H"	36.948606
"944028"	379.166294	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-H+HCOOH"	44.998194
"363337"	713.334401	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+HCOOH-H"	44.998201
"350503"	727.350051	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+Hac-H"	59.013851
"1500430"	393.181951	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Hac-H"	59.013851
"960680"	401.148251	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-H+NaCOOH"	66.980151
"112136"	369.137502	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+2Cl"	69.938804
"552059"	536.221552	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+2Cl"	69.938804
"1024142"	202.053452	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2Cl"	69.938804
"1245908"	413.086985	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Br"	78.918885
"1311644"	415.142972	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Cl+HCOOH"	80.974872
"1326951"	437.124929	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Cl+NaCOOH"	102.956829
"913998"	447.153686	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M-H+CF3COOH"	112.985586
"1293624"	483.130364	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Cl+CF3COOH"	148.962264
"1367202"	299.155424	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H-2H2O"	-35.012676
"1383813"	317.1654	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H-H2O"	-17.0027
"282971"	669.343476	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+H"	1.007276
"682483"	1003.511576	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+H"	1.007276
"1358832"	335.175376	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H"	1.007276
"130633"	335.175376	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+2H"	2.014552
"569828"	502.259426	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+2H"	2.014552
"1046653"	168.091326	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2H"	2.014552
"211272"	223.786009333333	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+3H"	3.021828
"647914"	335.175376	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+3H"	3.021828
"1165305"	112.396642666667	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+3H"	3.021828
"430043"	686.370023	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+NH4"	18.033823
"800041"	1020.538123	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+NH4"	18.033823
"1693941"	352.201923	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+NH4"	18.033823
"344041"	343.6886495	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+H+NH4"	19.041099
"735729"	510.7726995	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+H+NH4"	19.041099
"1489916"	176.6045995	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H+NH4"	19.041099
"407385"	691.325418	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+Na"	22.989218
"768991"	1025.493518	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+Na"	22.989218
"1617092"	357.157318	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Na"	22.989218
"328702"	346.166347	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+H+Na"	23.996494
"719058"	513.250397	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+H+Na"	23.996494
"1472879"	179.082297	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H+Na"	23.996494
"1062842"	119.723956666667	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2H+Na"	25.00377
"1266341"	367.201586	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+CH3OH+H"	33.033486
"388927"	707.299358	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+K"	38.963158
"750287"	1041.467458	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+K"	38.963158
"1542498"	373.131258	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+K"	38.963158
"307330"	354.153317	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+H+K"	39.970434
"699752"	521.237367	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+H+K"	39.970434
"1452481"	187.069267	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H+K"	39.970434
"236709"	710.370026	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+ACN+H"	42.033826
"1211971"	376.201926	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+ACN+H"	42.033826
"1209232"	188.604601	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+ACN+2H"	43.041102
"202228"	713.30736	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+2Na-H"	44.97116
"642398"	1047.47546	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+2Na-H"	44.97116
"1144561"	379.13926	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2Na-H"	44.97116
"184209"	357.157318	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+2Na"	45.978436
"619761"	524.241368	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+2Na"	45.978436
"1126547"	190.073268	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2Na"	45.978436
"1411529"	127.051270666667	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H+2Na"	46.985712
"1441825"	381.180846	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H+HCOOH"	47.012746
"230426"	362.19034	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+3H2O+2H"	56.04448
"1516667"	395.23289	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+IsoProp+H"	61.06479
"420725"	365.144288	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+Na+K"	61.952376
"780627"	532.228338	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+Na+K"	61.952376
"1675865"	198.060238	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Na+K"	61.952376
"261290"	732.351968	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+ACN+Na"	64.015768
"1233998"	398.183868	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+ACN+Na"	64.015768
"1717414"	398.207393	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+NH4+HCOOH"	64.039293
"1182767"	134.378584666667	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+3Na"	68.967654
"1653754"	403.162788	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Na+HCOOH"	68.994688
"168277"	745.25524	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+2K-H"	76.91904
"612461"	1079.42334	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+2K-H"	76.91904
"1099694"	411.08714	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2K-H"	76.91904
"157104"	373.131258	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"2M+2K"	77.926316
"596795"	540.215308	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"3M+2K"	77.926316
"1084166"	206.047208	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2K"	77.926316
"1115559"	413.101692	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2K+H"	78.933592
"1351070"	413.189307	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+DMSO+H"	79.021207
"1021215"	417.228476	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2ACN+H"	83.060376
"1539744"	418.222108	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+IsoProp+Na+H"	84.054008
"1002500"	209.117876	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+2ACN+2H"	84.067652
"1597003"	419.136728	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+K+HCOOH"	84.968628
"1420475"	449.168238	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+H+CF3COOH"	115.000138
"1148575"	229.631151	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+3ACN+2H"	125.094202
"1698127"	466.194785	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+NH4+CF3COOH"	132.026685
"1636329"	471.15018	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+Na+CF3COOH"	136.98208
"1586926"	487.12412	"C06522"	"Strychnine"	"C21H22N2O2"	"334.1681"	"M+K+CF3COOH"	152.95602
"810730"	127.1361	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M"	0
"984266"	108.11771	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-H2O-H"	-19.01839
"70321"	83.750124	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M-3H"	-3.021828
"510975"	126.128824	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M-3H"	-3.021828
"886589"	41.371424	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-3H"	-3.021828
"13914"	126.128824	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M-2H"	-2.014552
"450193"	189.696874	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M-2H"	-2.014552
"832007"	62.560774	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-2H"	-2.014552
"92969"	253.264924	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M-H"	-1.007276
"533632"	380.401024	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M-H"	-1.007276
"907551"	126.128824	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-H"	-1.007276
"57189"	270.291471	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M-2H+NH4"	16.019271
"499300"	397.427571	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M-2H+NH4"	16.019271
"875644"	143.155371	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-2H+NH4"	16.019271
"42815"	275.246866	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M-2H+Na"	20.974666
"481281"	402.382966	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M-2H+Na"	20.974666
"857989"	148.110766	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-2H+Na"	20.974666
"1628613"	148.110766	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Na-2H"	20.974666
"104049"	144.117163	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M-H+Cl"	33.962126
"541423"	207.685213	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M-H+Cl"	33.962126
"933843"	80.549113	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-H+Cl"	33.962126
"273493"	289.241602	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+Cl"	34.969402
"664821"	416.377702	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+Cl"	34.969402
"1283783"	162.105502	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Cl"	34.969402
"21964"	291.220806	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M-2H+K"	36.948606
"462618"	418.356906	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M-2H+K"	36.948606
"841513"	164.084706	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-2H+K"	36.948606
"1559535"	164.084706	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+K-2H"	36.948606
"945231"	172.134294	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-H+HCOOH"	44.998194
"361775"	299.270401	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+HCOOH-H"	44.998201
"349520"	313.286051	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+Hac-H"	59.013851
"1495436"	186.149951	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Hac-H"	59.013851
"958751"	194.116251	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-H+NaCOOH"	66.980151
"110411"	162.105502	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+2Cl"	69.938804
"550150"	225.673552	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+2Cl"	69.938804
"1021819"	98.537452	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2Cl"	69.938804
"1243101"	206.054985	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Br"	78.918885
"1311754"	208.110972	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Cl+HCOOH"	80.974872
"1323781"	230.092929	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Cl+NaCOOH"	102.956829
"914837"	240.121686	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M-H+CF3COOH"	112.985586
"1290818"	276.098364	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Cl+CF3COOH"	148.962264
"1367060"	92.123424	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H-2H2O"	-35.012676
"1382779"	110.1334	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H-H2O"	-17.0027
"282951"	255.279476	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+H"	1.007276
"677125"	382.415576	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+H"	1.007276
"1353474"	128.143376	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H"	1.007276
"130742"	128.143376	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+2H"	2.014552
"568479"	191.711426	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+2H"	2.014552
"1046760"	64.575326	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2H"	2.014552
"211382"	85.764676	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+3H"	3.021828
"648388"	128.143376	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+3H"	3.021828
"1165053"	43.385976	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+3H"	3.021828
"425774"	272.306023	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+NH4"	18.033823
"799908"	399.442123	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+NH4"	18.033823
"1695509"	145.169923	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+NH4"	18.033823
"344394"	136.6566495	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+H+NH4"	19.041099
"736203"	200.2246995	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+H+NH4"	19.041099
"1490754"	73.0885995	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H+NH4"	19.041099
"408185"	277.261418	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+Na"	22.989218
"769306"	404.397518	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+Na"	22.989218
"1617974"	150.125318	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Na"	22.989218
"328205"	139.134347	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+H+Na"	23.996494
"719168"	202.702397	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+H+Na"	23.996494
"1473717"	75.566297	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H+Na"	23.996494
"1063316"	50.71329	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2H+Na"	25.00377
"1266087"	160.169586	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+CH3OH+H"	33.033486
"391225"	293.235358	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+K"	38.963158
"751125"	420.371458	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+K"	38.963158
"1544794"	166.099258	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+K"	38.963158
"307440"	147.121317	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+H+K"	39.970434
"699862"	210.689367	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+H+K"	39.970434
"1452591"	83.553267	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H+K"	39.970434
"237182"	296.306026	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+ACN+H"	42.033826
"1214996"	169.169926	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+ACN+H"	42.033826
"1208241"	85.088601	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+ACN+2H"	43.041102
"199056"	299.24336	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+2Na-H"	44.97116
"640803"	426.37946	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+2Na-H"	44.97116
"1141389"	172.10726	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2Na-H"	44.97116
"179217"	150.125318	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+2Na"	45.978436
"616590"	213.693368	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+2Na"	45.978436
"1122283"	86.557268	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2Na"	45.978436
"1408723"	58.040604	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H+2Na"	46.985712
"1437923"	174.148846	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H+HCOOH"	47.012746
"229807"	155.15834	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+3H2O+2H"	56.04448
"1517869"	188.20089	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+IsoProp+H"	61.06479
"417555"	158.112288	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+Na+K"	61.952376
"779645"	221.680338	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+Na+K"	61.952376
"1677801"	94.544238	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Na+K"	61.952376
"261400"	318.287968	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+ACN+Na"	64.015768
"1234108"	191.151868	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+ACN+Na"	64.015768
"1716431"	191.175393	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+NH4+HCOOH"	64.039293
"1180691"	65.367918	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+3Na"	68.967654
"1652772"	196.130788	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Na+HCOOH"	68.994688
"171063"	331.19124	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+2K-H"	76.91904
"612328"	458.32734	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+2K-H"	76.91904
"1099519"	204.05514	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2K-H"	76.91904
"156331"	166.099258	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"2M+2K"	77.926316
"596132"	229.667308	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"3M+2K"	77.926316
"1082099"	102.531208	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2K"	77.926316
"1115195"	206.069692	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2K+H"	78.933592
"1350241"	206.157307	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+DMSO+H"	79.021207
"1020105"	210.196476	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2ACN+H"	83.060376
"1538229"	211.190108	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+IsoProp+Na+H"	84.054008
"1002610"	105.601876	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+2ACN+2H"	84.067652
"1594926"	212.104728	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+K+HCOOH"	84.968628
"1417305"	242.136238	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+H+CF3COOH"	115.000138
"1150872"	126.115151	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+3ACN+2H"	125.094202
"1697040"	259.162785	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+NH4+CF3COOH"	132.026685
"1636075"	264.11818	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+Na+CF3COOH"	136.98208
"1583756"	280.09212	"C06523"	"Coniine;()-Coniine;Cicutin"	"C8H17N"	"127.1361"	"M+K+CF3COOH"	152.95602
"810840"	148.1	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M"	0
"984376"	129.08161	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-H2O-H"	-19.01839
"70431"	97.7260573333333	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M-3H"	-3.021828
"511085"	147.092724	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M-3H"	-3.021828
"885605"	48.3593906666667	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-3H"	-3.021828
"15201"	147.092724	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M-2H"	-2.014552
"450303"	221.142724	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M-2H"	-2.014552
"832605"	73.042724	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-2H"	-2.014552
"90284"	295.192724	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M-H"	-1.007276
"534111"	443.292724	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M-H"	-1.007276
"909120"	147.092724	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-H"	-1.007276
"58757"	312.219271	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M-2H+NH4"	16.019271
"497223"	460.319271	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M-2H+NH4"	16.019271
"877211"	164.119271	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-2H+NH4"	16.019271
"42927"	317.174666	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M-2H+Na"	20.974666
"480297"	465.274666	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M-2H+Na"	20.974666
"858100"	169.074666	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-2H+Na"	20.974666
"1628724"	169.074666	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Na-2H"	20.974666
"103067"	165.081063	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M-H+Cl"	33.962126
"540440"	239.131063	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M-H+Cl"	33.962126
"937963"	91.031063	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-H+Cl"	33.962126
"275790"	331.169402	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+Cl"	34.969402
"664930"	479.269402	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+Cl"	34.969402
"1278426"	183.069402	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Cl"	34.969402
"22074"	333.148606	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M-2H+K"	36.948606
"462727"	481.248606	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M-2H+K"	36.948606
"840529"	185.048606	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-2H+K"	36.948606
"1558551"	185.048606	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+K-2H"	36.948606
"945341"	193.098194	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-H+HCOOH"	44.998194
"362330"	341.198201	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+HCOOH-H"	44.998201
"351816"	355.213851	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+Hac-H"	59.013851
"1497003"	207.113851	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Hac-H"	59.013851
"958740"	215.080151	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-H+NaCOOH"	66.980151
"110277"	183.069402	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+2Cl"	69.938804
"550569"	257.119402	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+2Cl"	69.938804
"1021805"	109.019402	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2Cl"	69.938804
"1241870"	227.018885	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Br"	78.918885
"1312957"	229.074872	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Cl+HCOOH"	80.974872
"1323891"	251.056829	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Cl+NaCOOH"	102.956829
"914947"	261.085586	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M-H+CF3COOH"	112.985586
"1289467"	297.062264	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Cl+CF3COOH"	148.962264
"1367421"	113.087324	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H-2H2O"	-35.012676
"1383295"	131.0973	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H-H2O"	-17.0027
"283465"	297.207276	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+H"	1.007276
"676139"	445.307276	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+H"	1.007276
"1353584"	149.107276	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H"	1.007276
"126102"	149.107276	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+2H"	2.014552
"568224"	223.157276	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+2H"	2.014552
"1047964"	75.057276	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2H"	2.014552
"211492"	99.7406093333333	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+3H"	3.021828
"649227"	149.107276	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+3H"	3.021828
"1165163"	50.3739426666667	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+3H"	3.021828
"425152"	314.233823	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+NH4"	18.033823
"800993"	462.333823	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+NH4"	18.033823
"1696549"	166.133823	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+NH4"	18.033823
"344258"	157.6205495	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+H+NH4"	19.041099
"735584"	231.6705495	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+H+NH4"	19.041099
"1484300"	83.5705495	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H+NH4"	19.041099
"407727"	319.189218	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+Na"	22.989218
"768357"	467.289218	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+Na"	22.989218
"1617792"	171.089218	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Na"	22.989218
"323208"	160.098247	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+H+Na"	23.996494
"718913"	234.148247	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+H+Na"	23.996494
"1473826"	86.048247	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H+Na"	23.996494
"1063790"	57.7012566666667	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2H+Na"	25.00377
"1265467"	181.133486	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+CH3OH+H"	33.033486
"386960"	335.163158	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+K"	38.963158
"748319"	483.263158	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+K"	38.963158
"1544904"	187.063158	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+K"	38.963158
"308643"	168.085217	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+H+K"	39.970434
"699972"	242.135217	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+H+K"	39.970434
"1451608"	94.035217	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H+K"	39.970434
"238384"	338.233826	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+ACN+H"	42.033826
"1214377"	190.133826	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+ACN+H"	42.033826
"1208108"	95.570551	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+ACN+2H"	43.041102
"200259"	341.17116	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+2Na-H"	44.97116
"640548"	489.27116	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+2Na-H"	44.97116
"1142229"	193.07116	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2Na-H"	44.97116
"182974"	171.089218	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+2Na"	45.978436
"621075"	245.139218	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+2Na"	45.978436
"1124580"	97.039218	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2Na"	45.978436
"1411020"	65.0285706666667	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H+2Na"	46.985712
"1439128"	195.112746	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H+HCOOH"	47.012746
"228824"	176.12224	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+3H2O+2H"	56.04448
"1514700"	209.16479	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+IsoProp+H"	61.06479
"416572"	179.076188	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+Na+K"	61.952376
"777565"	253.126188	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+Na+K"	61.952376
"1674992"	105.026188	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Na+K"	61.952376
"258231"	360.215768	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+ACN+Na"	64.015768
"1230939"	212.115768	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+ACN+Na"	64.015768
"1716541"	212.139293	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+NH4+HCOOH"	64.039293
"1180801"	72.3558846666667	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+3Na"	68.967654
"1652882"	217.094688	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Na+HCOOH"	68.994688
"171294"	373.11904	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+2K-H"	76.91904
"612565"	521.21904	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+2K-H"	76.91904
"1099265"	225.01904	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2K-H"	76.91904
"156567"	187.063158	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"2M+2K"	77.926316
"597014"	261.113158	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"3M+2K"	77.926316
"1082088"	113.013158	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2K"	77.926316
"1115345"	227.033592	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2K+H"	78.933592
"1350471"	227.121207	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+DMSO+H"	79.021207
"1020337"	231.160376	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2ACN+H"	83.060376
"1536274"	232.154008	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+IsoProp+Na+H"	84.054008
"1001627"	116.083826	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+2ACN+2H"	84.067652
"1596129"	233.068628	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+K+HCOOH"	84.968628
"1417415"	263.100138	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+H+CF3COOH"	115.000138
"1152075"	136.597101	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+3ACN+2H"	125.094202
"1697615"	280.126685	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+NH4+CF3COOH"	132.026685
"1636185"	285.08208	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+Na+CF3COOH"	136.98208
"1583866"	301.05602	"C06524"	"Nornicotine"	"C9H12N2"	"148.1"	"M+K+CF3COOH"	152.95602
"810950"	175.0633	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M"	0
"984486"	156.04491	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"73822"	115.701590666667	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"511197"	174.056024	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"892277"	57.3471573333333	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"11948"	174.056024	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"450413"	261.587674	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"831496"	86.524374	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"90394"	349.119324	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"533567"	524.182624	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"907408"	174.056024	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"60691"	366.145871	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"498426"	541.209171	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"877325"	191.082571	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"44129"	371.101266	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"480407"	546.164566	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"858209"	196.037966	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1628834"	196.037966	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"104269"	192.044363	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"542738"	279.576013	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"936252"	104.512713	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"275901"	385.096002	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"668322"	560.159302	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1279632"	210.032702	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"27654"	387.075206	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"466119"	562.138506	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"843920"	212.011906	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1564128"	212.011906	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"952012"	220.061494	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"365854"	395.124801	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"351197"	409.140451	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1498207"	234.077151	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"962103"	242.043451	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"111858"	210.032702	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"549987"	297.564352	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1022527"	122.501052	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1242957"	253.982185	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1314161"	256.038172	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1324001"	278.020129	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"912869"	288.048886	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1295048"	324.025564	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1369563"	140.050624	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1383044"	158.0606	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"282934"	351.133876	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"680627"	526.197176	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1358069"	176.070576	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"127672"	176.070576	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"575990"	263.602226	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1046979"	88.538926	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"217069"	117.716142666667	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"651162"	176.070576	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1166368"	59.3617093333333	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"425995"	368.160423	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"797934"	543.223723	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1696090"	193.097123	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"344369"	184.5838495	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"737519"	272.1154995	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1492681"	97.0521995	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"407836"	373.115818	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"767008"	548.179118	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1618272"	198.052518	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"325871"	187.061547	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"721210"	274.593197	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1476125"	99.529897	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1061714"	66.6890233333333	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1265213"	208.096786	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"392822"	389.089758	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"752076"	564.153058	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1548295"	214.026458	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"313492"	195.048517	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"703362"	282.580167	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1453905"	107.516867	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"240320"	392.160426	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1215216"	217.097126	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1209559"	109.052201	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"201099"	395.09776	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"640295"	570.16106	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1141612"	220.03446	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"183812"	198.052518	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"615715"	285.584168	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1119223"	110.520868	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1410401"	74.0163373333333	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1430606"	222.076046	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"231121"	203.08554	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1514808"	236.12809	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"411212"	206.039488	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"774393"	293.571138	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1668537"	118.507838	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"255052"	414.142368	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1229948"	239.079068	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1714461"	239.102593	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1179570"	81.3436513333333	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1651894"	244.057988	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"170676"	427.04564	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"612144"	602.10894	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1098402"	251.98234	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"156190"	214.026458	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"596477"	301.558108	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1082198"	126.494808	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1114320"	253.996892	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1350340"	254.084507	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1017167"	258.123676	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1534197"	259.117308	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"1000643"	129.565476	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1592959"	260.031928	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1417525"	290.063438	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1149269"	150.078751	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1701738"	307.089985	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1642856"	312.04538	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1583976"	328.01932	"C06525"	"Gentianine"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"816531"	324.1838	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M"	0
"984597"	305.16541	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-H2O-H"	-19.01839
"76121"	215.115257333333	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M-3H"	-3.021828
"514223"	323.176524	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M-3H"	-3.021828
"892387"	107.053990666667	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-3H"	-3.021828
"13151"	323.176524	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M-2H"	-2.014552
"450523"	485.268424	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M-2H"	-2.014552
"828324"	161.084624	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-2H"	-2.014552
"90504"	647.360324	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M-H"	-1.007276
"533712"	971.544124	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M-H"	-1.007276
"908979"	323.176524	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-H"	-1.007276
"60925"	664.386871	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M-2H+NH4"	16.019271
"500363"	988.570671	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M-2H+NH4"	16.019271
"878770"	340.203071	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-2H+NH4"	16.019271
"46794"	669.342266	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M-2H+Na"	20.974666
"485496"	993.526066	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M-2H+Na"	20.974666
"863582"	345.158466	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-2H+Na"	20.974666
"1633932"	345.158466	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Na-2H"	20.974666
"107659"	341.164863	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M-H+Cl"	33.962126
"549407"	503.256763	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M-H+Cl"	33.962126
"938549"	179.072963	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-H+Cl"	33.962126
"278199"	683.337002	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+Cl"	34.969402
"672806"	1007.520802	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+Cl"	34.969402
"1285210"	359.153202	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Cl"	34.969402
"29586"	685.316206	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M-2H+K"	36.948606
"466229"	1009.500006	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M-2H+K"	36.948606
"844030"	361.132406	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-2H+K"	36.948606
"1564238"	361.132406	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+K-2H"	36.948606
"952122"	369.181994	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-H+HCOOH"	44.998194
"365964"	693.365801	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+HCOOH-H"	44.998201
"350214"	707.381451	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+Hac-H"	59.013851
"1498317"	383.197651	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Hac-H"	59.013851
"962942"	391.163951	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-H+NaCOOH"	66.980151
"110996"	359.153202	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+2Cl"	69.938804
"549961"	521.245102	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+2Cl"	69.938804
"1022395"	197.061302	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2Cl"	69.938804
"1241975"	403.102685	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Br"	78.918885
"1314269"	405.158672	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Cl+HCOOH"	80.974872
"1321923"	427.140629	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Cl+NaCOOH"	102.956829
"911886"	437.169386	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M-H+CF3COOH"	112.985586
"1289203"	473.146064	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Cl+CF3COOH"	148.962264
"1367239"	289.171124	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H-2H2O"	-35.012676
"1382852"	307.1811	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H-H2O"	-17.0027
"282846"	649.374876	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+H"	1.007276
"678185"	973.558676	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+H"	1.007276
"1354168"	325.191076	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H"	1.007276
"126810"	325.191076	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+2H"	2.014552
"566619"	487.282976	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+2H"	2.014552
"1047089"	163.099176	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2H"	2.014552
"217181"	217.129809333333	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+3H"	3.021828
"656739"	325.191076	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+3H"	3.021828
"1168302"	109.068542666667	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+3H"	3.021828
"427200"	666.401423	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+NH4"	18.033823
"797682"	990.585223	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+NH4"	18.033823
"1695837"	342.217623	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+NH4"	18.033823
"343751"	333.7043495	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+H+NH4"	19.041099
"736901"	495.7962495	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+H+NH4"	19.041099
"1492139"	171.6124495	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H+NH4"	19.041099
"407785"	671.356818	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+Na"	22.989218
"768943"	995.540618	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+Na"	22.989218
"1617775"	347.173018	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Na"	22.989218
"325253"	336.182047	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+H+Na"	23.996494
"721321"	498.273947	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+H+Na"	23.996494
"1476236"	174.090147	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H+Na"	23.996494
"1064012"	116.395856666667	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2H+Na"	25.00377
"1267510"	357.217286	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+CH3OH+H"	33.033486
"390097"	687.330758	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+K"	38.963158
"751457"	1011.514558	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+K"	38.963158
"1551687"	363.146958	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+K"	38.963158
"314255"	344.169017	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+H+K"	39.970434
"705297"	506.260917	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+H+K"	39.970434
"1456202"	182.077117	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H+K"	39.970434
"243711"	690.401426	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+ACN+H"	42.033826
"1214234"	366.217626	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+ACN+H"	42.033826
"1209892"	183.612451	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+ACN+2H"	43.041102
"200480"	693.33876	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+2Na-H"	44.97116
"643686"	1017.52256	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+2Na-H"	44.97116
"1145981"	369.15496	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2Na-H"	44.97116
"181735"	347.173018	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+2Na"	45.978436
"619105"	509.264918	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+2Na"	45.978436
"1122613"	185.081118	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2Na"	45.978436
"1412334"	123.723170666667	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H+2Na"	46.985712
"1433879"	371.196546	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H+HCOOH"	47.012746
"234878"	352.20604	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+3H2O+2H"	56.04448
"1518198"	385.24859	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+IsoProp+H"	61.06479
"415694"	355.159988	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+Na+K"	61.952376
"777783"	517.251888	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+Na+K"	61.952376
"1669742"	193.068088	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Na+K"	61.952376
"262453"	712.383368	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+ACN+Na"	64.015768
"1234433"	388.199568	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+ACN+Na"	64.015768
"1718945"	388.223093	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+NH4+HCOOH"	64.039293
"1185392"	131.050484666667	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+3Na"	68.967654
"1653098"	393.178488	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Na+HCOOH"	68.994688
"170904"	725.28664	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+2K-H"	76.91904
"611813"	1049.47044	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+2K-H"	76.91904
"1097542"	401.10284	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2K-H"	76.91904
"156987"	363.146958	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"2M+2K"	77.926316
"596218"	525.238858	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"3M+2K"	77.926316
"1080241"	201.055058	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2K"	77.926316
"1111264"	403.117392	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2K+H"	78.933592
"1347649"	403.205007	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+DMSO+H"	79.021207
"1018368"	407.244176	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2ACN+H"	83.060376
"1538438"	408.237808	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+IsoProp+Na+H"	84.054008
"1000753"	204.125726	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+2ACN+2H"	84.067652
"1593069"	409.152428	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+K+HCOOH"	84.968628
"1417635"	439.183938	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+H+CF3COOH"	115.000138
"1149743"	224.639001	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+3ACN+2H"	125.094202
"1705128"	456.210485	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+NH4+CF3COOH"	132.026685
"1642966"	461.16588	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+Na+CF3COOH"	136.98208
"1584086"	477.13982	"C06526"	"Quinine;(-)-Quinine"	"C20H24N2O2"	"324.1838"	"M+K+CF3COOH"	152.95602
"811170"	324.1838	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M"	0
"978146"	305.16541	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-H2O-H"	-19.01839
"69668"	215.115257333333	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M-3H"	-3.021828
"510323"	323.176524	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M-3H"	-3.021828
"885936"	107.053990666667	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-3H"	-3.021828
"7793"	323.176524	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M-2H"	-2.014552
"446259"	485.268424	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M-2H"	-2.014552
"826247"	161.084624	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-2H"	-2.014552
"87334"	647.360324	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M-H"	-1.007276
"527986"	971.544124	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M-H"	-1.007276
"902509"	323.176524	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-H"	-1.007276
"62444"	664.386871	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M-2H+NH4"	16.019271
"502052"	988.570671	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M-2H+NH4"	16.019271
"879814"	340.203071	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-2H+NH4"	16.019271
"46539"	669.342266	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M-2H+Na"	20.974666
"486457"	993.526066	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M-2H+Na"	20.974666
"863165"	345.158466	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-2H+Na"	20.974666
"1633917"	345.158466	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Na-2H"	20.974666
"108620"	341.164863	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M-H+Cl"	33.962126
"547331"	503.256763	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M-H+Cl"	33.962126
"940845"	179.072963	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-H+Cl"	33.962126
"280494"	683.337002	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+Cl"	34.969402
"670730"	1007.520802	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+Cl"	34.969402
"1278759"	359.153202	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Cl"	34.969402
"22407"	685.316206	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M-2H+K"	36.948606
"466339"	1009.500006	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M-2H+K"	36.948606
"844140"	361.132406	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-2H+K"	36.948606
"1566535"	361.132406	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+K-2H"	36.948606
"954421"	369.181994	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-H+HCOOH"	44.998194
"368262"	693.365801	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+HCOOH-H"	44.998201
"350324"	707.381451	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+Hac-H"	59.013851
"1498063"	383.197651	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Hac-H"	59.013851
"958797"	391.163951	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-H+NaCOOH"	66.980151
"111229"	359.153202	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+2Cl"	69.938804
"550219"	521.245102	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+2Cl"	69.938804
"1022505"	197.061302	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2Cl"	69.938804
"1242449"	403.102685	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Br"	78.918885
"1311099"	405.158672	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Cl+HCOOH"	80.974872
"1323126"	427.140629	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Cl+NaCOOH"	102.956829
"911997"	437.169386	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M-H+CF3COOH"	112.985586
"1294175"	473.146064	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Cl+CF3COOH"	148.962264
"1369056"	289.171124	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H-2H2O"	-35.012676
"1382807"	307.1811	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H-H2O"	-17.0027
"283070"	649.374876	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+H"	1.007276
"677567"	973.558676	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+H"	1.007276
"1351414"	325.191076	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H"	1.007276
"128992"	325.191076	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+2H"	2.014552
"566366"	487.282976	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+2H"	2.014552
"1043919"	163.099176	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2H"	2.014552
"218384"	217.129809333333	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+3H"	3.021828
"652476"	325.191076	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+3H"	3.021828
"1170600"	109.068542666667	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+3H"	3.021828
"429499"	666.401423	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+NH4"	18.033823
"798520"	990.585223	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+NH4"	18.033823
"1695217"	342.217623	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+NH4"	18.033823
"343860"	333.7043495	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+H+NH4"	19.041099
"737375"	495.7962495	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+H+NH4"	19.041099
"1491075"	171.6124495	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H+NH4"	19.041099
"407448"	671.356818	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+Na"	22.989218
"768324"	995.540618	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+Na"	22.989218
"1616545"	347.173018	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Na"	22.989218
"324999"	336.182047	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+H+Na"	23.996494
"720948"	498.273947	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+H+Na"	23.996494
"1474886"	174.090147	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H+Na"	23.996494
"1065215"	116.395856666667	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2H+Na"	25.00377
"1265798"	357.217286	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+CH3OH+H"	33.033486
"390571"	687.330758	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+K"	38.963158
"750838"	1011.514558	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+K"	38.963158
"1553132"	363.146958	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+K"	38.963158
"311524"	344.169017	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+H+K"	39.970434
"706136"	506.260917	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+H+K"	39.970434
"1458864"	182.077117	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H+K"	39.970434
"243821"	690.401426	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+ACN+H"	42.033826
"1214344"	366.217626	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+ACN+H"	42.033826
"1209617"	183.612451	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+ACN+2H"	43.041102
"202414"	693.33876	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+2Na-H"	44.97116
"642953"	1017.52256	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+2Na-H"	44.97116
"1146703"	369.15496	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2Na-H"	44.97116
"186955"	347.173018	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+2Na"	45.978436
"619219"	509.264918	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+2Na"	45.978436
"1129286"	185.081118	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2Na"	45.978436
"1413174"	123.723170666667	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H+2Na"	46.985712
"1442739"	371.196546	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H+HCOOH"	47.012746
"234621"	352.20604	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+3H2O+2H"	56.04448
"1516125"	385.24859	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+IsoProp+H"	61.06479
"419090"	355.159988	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+Na+K"	61.952376
"782273"	517.251888	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+Na+K"	61.952376
"1680309"	193.068088	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Na+K"	61.952376
"260748"	712.383368	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+ACN+Na"	64.015768
"1234550"	388.199568	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+ACN+Na"	64.015768
"1722342"	388.223093	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+NH4+HCOOH"	64.039293
"1182590"	131.050484666667	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+3Na"	68.967654
"1655400"	393.178488	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Na+HCOOH"	68.994688
"171014"	725.28664	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+2K-H"	76.91904
"612764"	1049.47044	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+2K-H"	76.91904
"1098745"	401.10284	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2K-H"	76.91904
"156856"	363.146958	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"2M+2K"	77.926316
"596865"	525.238858	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"3M+2K"	77.926316
"1083967"	201.055058	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2K"	77.926316
"1115151"	403.117392	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2K+H"	78.933592
"1351132"	403.205007	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+DMSO+H"	79.021207
"1021227"	407.244176	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2ACN+H"	83.060376
"1536604"	408.237808	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+IsoProp+Na+H"	84.054008
"1003050"	204.125726	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+2ACN+2H"	84.067652
"1592086"	409.152428	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+K+HCOOH"	84.968628
"1417745"	439.183938	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+H+CF3COOH"	115.000138
"1149853"	224.639001	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+3ACN+2H"	125.094202
"1705238"	456.210485	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+NH4+CF3COOH"	132.026685
"1643076"	461.16588	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+Na+CF3COOH"	136.98208
"1584196"	477.13982	"C06527"	"Quinidine;()-Quinidine"	"C20H24N2O2"	"324.1838"	"M+K+CF3COOH"	152.95602
"816023"	294.1732	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M"	0
"981536"	275.15481	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H2O-H"	-19.01839
"69778"	195.108190666667	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-3H"	-3.021828
"510433"	293.165924	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-3H"	-3.021828
"886046"	97.0504573333333	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-3H"	-3.021828
"8995"	293.165924	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H"	-2.014552
"446368"	440.252524	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H"	-2.014552
"827450"	146.079324	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H"	-2.014552
"88537"	587.339124	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-H"	-1.007276
"527003"	881.512324	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-H"	-1.007276
"903711"	293.165924	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H"	-1.007276
"61744"	604.365671	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H+NH4"	16.019271
"502397"	898.538871	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H+NH4"	16.019271
"879231"	310.192471	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H+NH4"	16.019271
"46967"	609.321066	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H+Na"	20.974666
"486206"	903.494266	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H+Na"	20.974666
"863968"	315.147866	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H+Na"	20.974666
"1633296"	315.147866	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na-2H"	20.974666
"108851"	311.154263	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-H+Cl"	33.962126
"547441"	458.240863	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-H+Cl"	33.962126
"939861"	164.067663	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+Cl"	33.962126
"278417"	623.315802	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Cl"	34.969402
"672661"	917.489002	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+Cl"	34.969402
"1283972"	329.142602	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl"	34.969402
"24704"	625.295006	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H+K"	36.948606
"466449"	919.468206	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H+K"	36.948606
"844250"	331.121806	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H+K"	36.948606
"1566645"	331.121806	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K-2H"	36.948606
"954531"	339.171394	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+HCOOH"	44.998194
"367278"	633.344601	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+HCOOH-H"	44.998201
"347882"	647.360251	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Hac-H"	59.013851
"1496350"	353.187051	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Hac-H"	59.013851
"959151"	361.153351	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+NaCOOH"	66.980151
"112189"	329.142602	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2Cl"	69.938804
"550041"	476.229202	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2Cl"	69.938804
"1021445"	182.056002	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2Cl"	69.938804
"1241623"	373.092085	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Br"	78.918885
"1315580"	375.148072	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl+HCOOH"	80.974872
"1326515"	397.130029	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl+NaCOOH"	102.956829
"912349"	407.158786	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+CF3COOH"	112.985586
"1293192"	443.135464	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl+CF3COOH"	148.962264
"1370259"	259.160524	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H-2H2O"	-35.012676
"1383170"	277.1705	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H-H2O"	-17.0027
"283061"	589.353676	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H"	1.007276
"677069"	883.526876	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H"	1.007276
"1352198"	295.180476	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H"	1.007276
"126914"	295.180476	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2H"	2.014552
"566388"	442.267076	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2H"	2.014552
"1038071"	148.093876	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2H"	2.014552
"211930"	197.122742666667	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+3H"	3.021828
"652585"	295.180476	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+3H"	3.021828
"1167428"	99.0650093333334	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+3H"	3.021828
"429609"	606.380223	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+NH4"	18.033823
"798266"	900.553423	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+NH4"	18.033823
"1692774"	312.207023	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+NH4"	18.033823
"341776"	303.6937495	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H+NH4"	19.041099
"728730"	450.7803495	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H+NH4"	19.041099
"1485831"	156.6071495	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+NH4"	19.041099
"399043"	611.335618	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Na"	22.989218
"766973"	905.508818	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+Na"	22.989218
"1616531"	317.162418	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na"	22.989218
"324378"	306.171447	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H+Na"	23.996494
"721058"	453.258047	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H+Na"	23.996494
"1474267"	159.084847	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+Na"	23.996494
"1060950"	106.392323333333	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2H+Na"	25.00377
"1266636"	327.206686	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+CH3OH+H"	33.033486
"389952"	627.309558	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+K"	38.963158
"753500"	921.482758	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+K"	38.963158
"1550447"	333.136358	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K"	38.963158
"311270"	314.158417	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H+K"	39.970434
"706127"	461.245017	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H+K"	39.970434
"1459338"	167.071817	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+K"	39.970434
"242837"	630.380226	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+ACN+H"	42.033826
"1218826"	336.207026	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+ACN+H"	42.033826
"1208673"	168.607151	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+ACN+2H"	43.041102
"202890"	633.31756	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2Na-H"	44.97116
"644114"	927.49076	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2Na-H"	44.97116
"1146933"	339.14436	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2Na-H"	44.97116
"188502"	317.162418	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2Na"	45.978436
"626985"	464.249018	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2Na"	45.978436
"1131023"	170.075818	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2Na"	45.978436
"1413574"	113.719637333333	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+2Na"	46.985712
"1444961"	341.185946	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+HCOOH"	47.012746
"235306"	322.19544	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+3H2O+2H"	56.04448
"1516235"	355.23799	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+IsoProp+H"	61.06479
"422480"	325.149388	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Na+K"	61.952376
"782019"	472.235988	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+Na+K"	61.952376
"1680540"	178.062788	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na+K"	61.952376
"263775"	652.362168	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+ACN+Na"	64.015768
"1237576"	358.188968	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+ACN+Na"	64.015768
"1722452"	358.212493	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+NH4+HCOOH"	64.039293
"1184524"	121.046951333333	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+3Na"	68.967654
"1656967"	363.167888	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na+HCOOH"	68.994688
"171858"	665.26544	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2K-H"	76.91904
"612645"	959.43864	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2K-H"	76.91904
"1099900"	371.09224	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2K-H"	76.91904
"157038"	333.136358	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2K"	77.926316
"597069"	480.222958	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2K"	77.926316
"1084171"	186.049758	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2K"	77.926316
"1115453"	373.106792	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2K+H"	78.933592
"1351265"	373.194407	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+DMSO+H"	79.021207
"1021144"	377.233576	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2ACN+H"	83.060376
"1536714"	378.227208	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+IsoProp+Na+H"	84.054008
"1002067"	189.120426	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2ACN+2H"	84.067652
"1593289"	379.141828	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K+HCOOH"	84.968628
"1421136"	409.173338	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+CF3COOH"	115.000138
"1151424"	209.633701	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+3ACN+2H"	125.094202
"1705349"	426.199885	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+NH4+CF3COOH"	132.026685
"1643186"	431.15528	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na+CF3COOH"	136.98208
"1584306"	447.12922	"C06528"	"Cinchonine;(9S)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K+CF3COOH"	152.95602
"811390"	310.1681	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M"	0
"978367"	291.14971	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-H2O-H"	-19.01839
"70984"	205.771457333333	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M-3H"	-3.021828
"509450"	309.160824	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M-3H"	-3.021828
"887250"	102.382090666667	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-3H"	-3.021828
"5826"	309.160824	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M-2H"	-2.014552
"449761"	464.244874	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M-2H"	-2.014552
"826467"	154.076774	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-2H"	-2.014552
"91564"	619.328924	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M-H"	-1.007276
"533922"	929.497024	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M-H"	-1.007276
"910632"	309.160824	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-H"	-1.007276
"61605"	636.355471	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M-2H+NH4"	16.019271
"499963"	946.523571	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M-2H+NH4"	16.019271
"876792"	326.187371	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-2H+NH4"	16.019271
"44931"	641.310866	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M-2H+Na"	20.974666
"484494"	951.478966	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M-2H+Na"	20.974666
"863021"	331.142766	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-2H+Na"	20.974666
"1632556"	331.142766	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Na-2H"	20.974666
"106896"	327.149163	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M-H+Cl"	33.962126
"548404"	482.233213	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M-H+Cl"	33.962126
"939972"	172.065113	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-H+Cl"	33.962126
"278525"	655.305602	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+Cl"	34.969402
"668759"	965.473702	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+Cl"	34.969402
"1285537"	345.137502	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Cl"	34.969402
"22625"	657.284806	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M-2H+K"	36.948606
"461090"	967.452906	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M-2H+K"	36.948606
"833342"	347.116706	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-2H+K"	36.948606
"1561288"	347.116706	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+K-2H"	36.948606
"950265"	355.166294	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-H+HCOOH"	44.998194
"367388"	665.334401	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+HCOOH-H"	44.998201
"353460"	679.350051	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+Hac-H"	59.013851
"1497188"	369.181951	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Hac-H"	59.013851
"959137"	377.148251	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-H+NaCOOH"	66.980151
"110961"	345.137502	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+2Cl"	69.938804
"550006"	500.221552	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+2Cl"	69.938804
"1022109"	190.053452	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2Cl"	69.938804
"1242298"	389.086985	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Br"	78.918885
"1310221"	391.142972	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Cl+HCOOH"	80.974872
"1325531"	413.124929	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Cl+NaCOOH"	102.956829
"914037"	423.153686	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M-H+CF3COOH"	112.985586
"1290744"	459.130364	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Cl+CF3COOH"	148.962264
"1368547"	275.155424	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H-2H2O"	-35.012676
"1383244"	293.1654	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H-H2O"	-17.0027
"283087"	621.343476	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+H"	1.007276
"676037"	931.511576	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+H"	1.007276
"1352307"	311.175376	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H"	1.007276
"127019"	311.175376	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+2H"	2.014552
"567674"	466.259426	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+2H"	2.014552
"1039396"	156.091326	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2H"	2.014552
"212040"	207.786009333333	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+3H"	3.021828
"649412"	311.175376	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+3H"	3.021828
"1168630"	104.396642666667	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+3H"	3.021828
"428625"	638.370023	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+NH4"	18.033823
"800566"	948.538123	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+NH4"	18.033823
"1693612"	328.201923	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+NH4"	18.033823
"342982"	319.6886495	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+H+NH4"	19.041099
"733213"	474.7726995	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+H+NH4"	19.041099
"1488127"	164.6045995	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H+NH4"	19.041099
"400246"	643.325418	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+Na"	22.989218
"767082"	953.493518	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+Na"	22.989218
"1617129"	333.157318	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Na"	22.989218
"328747"	322.166347	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+H+Na"	23.996494
"716912"	477.250397	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+H+Na"	23.996494
"1473284"	167.082297	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H+Na"	23.996494
"1062153"	111.723956666667	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2H+Na"	25.00377
"1269299"	343.201586	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+CH3OH+H"	33.033486
"390791"	659.299358	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+K"	38.963158
"752519"	969.467458	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+K"	38.963158
"1554333"	349.131258	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+K"	38.963158
"313695"	330.153317	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+H+K"	39.970434
"703074"	485.237367	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+H+K"	39.970434
"1453250"	175.069267	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H+K"	39.970434
"245859"	662.370026	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+ACN+H"	42.033826
"1216748"	352.201926	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+ACN+H"	42.033826
"1208536"	176.604601	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+ACN+2H"	43.041102
"202273"	665.30736	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+2Na-H"	44.97116
"643986"	975.47546	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+2Na-H"	44.97116
"1146806"	355.13926	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2Na-H"	44.97116
"186080"	333.157318	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+2Na"	45.978436
"626248"	488.241368	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+2Na"	45.978436
"1129145"	178.073268	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2Na"	45.978436
"1413276"	119.051270666667	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H+2Na"	46.985712
"1444057"	357.180846	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H+HCOOH"	47.012746
"234847"	338.19034	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+3H2O+2H"	56.04448
"1516345"	371.23289	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+IsoProp+H"	61.06479
"423890"	341.144288	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+Na+K"	61.952376
"782493"	496.228338	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+Na+K"	61.952376
"1679923"	186.060238	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Na+K"	61.952376
"264250"	684.351968	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+ACN+Na"	64.015768
"1235865"	374.183868	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+ACN+Na"	64.015768
"1722562"	374.207393	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+NH4+HCOOH"	64.039293
"1185728"	126.378584666667	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+3Na"	68.967654
"1656713"	379.162788	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Na+HCOOH"	68.994688
"171724"	697.25524	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+2K-H"	76.91904
"611779"	1007.42334	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+2K-H"	76.91904
"1098962"	387.08714	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2K-H"	76.91904
"155417"	349.131258	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"2M+2K"	77.926316
"595705"	504.215308	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"3M+2K"	77.926316
"1082520"	194.047208	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2K"	77.926316
"1114763"	389.101692	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2K+H"	78.933592
"1350174"	389.189307	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+DMSO+H"	79.021207
"1018699"	393.228476	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2ACN+H"	83.060376
"1535731"	394.222108	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+IsoProp+Na+H"	84.054008
"1002176"	197.117876	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+2ACN+2H"	84.067652
"1592306"	395.136728	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+K+HCOOH"	84.968628
"1417965"	425.168238	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+H+CF3COOH"	115.000138
"1151534"	217.631151	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+3ACN+2H"	125.094202
"1705459"	442.194785	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+NH4+CF3COOH"	132.026685
"1643296"	447.15018	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+Na+CF3COOH"	136.98208
"1584416"	463.12412	"C06530"	"Cupreine"	"C19H22N2O2"	"310.1681"	"M+K+CF3COOH"	152.95602
"811500"	273.1365	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M"	0
"982850"	254.11811	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H2O-H"	-19.01839
"71093"	181.083724	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-3H"	-3.021828
"506280"	272.129224	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-3H"	-3.021828
"887360"	90.038224	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-3H"	-3.021828
"7029"	272.129224	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H"	-2.014552
"449871"	408.697474	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H"	-2.014552
"825483"	135.560974	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H"	-2.014552
"92038"	545.265724	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-H"	-1.007276
"534060"	818.402224	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-H"	-1.007276
"910254"	272.129224	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H"	-1.007276
"59403"	562.292271	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H+NH4"	16.019271
"501525"	835.428771	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H+NH4"	16.019271
"878115"	289.155771	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H+NH4"	16.019271
"46420"	567.247666	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H+Na"	20.974666
"484969"	840.384166	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H+Na"	20.974666
"863785"	294.111166	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H+Na"	20.974666
"1633392"	294.111166	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na-2H"	20.974666
"107006"	290.117563	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-H+Cl"	33.962126
"546568"	426.685813	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-H+Cl"	33.962126
"940081"	153.549313	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+Cl"	33.962126
"277542"	581.242402	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Cl"	34.969402
"668868"	854.378902	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+Cl"	34.969402
"1285646"	308.105902	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl"	34.969402
"20548"	583.221606	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H+K"	36.948606
"457920"	856.358106	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H+K"	36.948606
"833412"	310.085106	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H+K"	36.948606
"1559210"	310.085106	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K-2H"	36.948606
"942916"	318.134694	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+HCOOH"	44.998194
"367498"	591.271201	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+HCOOH-H"	44.998201
"353570"	605.286851	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Hac-H"	59.013851
"1496569"	332.150351	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Hac-H"	59.013851
"958802"	340.116651	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+NaCOOH"	66.980151
"111922"	308.105902	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2Cl"	69.938804
"550631"	444.674152	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2Cl"	69.938804
"1021898"	171.537652	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2Cl"	69.938804
"1242772"	352.055385	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Br"	78.918885
"1310331"	354.111372	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl+HCOOH"	80.974872
"1325641"	376.093329	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl+NaCOOH"	102.956829
"914876"	386.122086	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+CF3COOH"	112.985586
"1290491"	422.098764	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl+CF3COOH"	148.962264
"1369383"	238.123824	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H-2H2O"	-35.012676
"1383598"	256.1338	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H-H2O"	-17.0027
"284376"	547.280276	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H"	1.007276
"676435"	820.416776	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H"	1.007276
"1356431"	274.143776	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H"	1.007276
"126768"	274.143776	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2H"	2.014552
"566086"	410.712026	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2H"	2.014552
"1040234"	137.575526	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2H"	2.014552
"212150"	183.098276	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+3H"	3.021828
"648429"	274.143776	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+3H"	3.021828
"1167647"	92.052776	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+3H"	3.021828
"428006"	564.306823	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+NH4"	18.033823
"799216"	837.443323	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+NH4"	18.033823
"1690438"	291.170323	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+NH4"	18.033823
"338714"	282.6570495	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H+NH4"	19.041099
"727855"	419.2252995	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H+NH4"	19.041099
"1480580"	146.0887995	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+NH4"	19.041099
"401449"	569.262218	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Na"	22.989218
"768285"	842.398718	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+Na"	22.989218
"1614926"	296.125718	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na"	22.989218
"327882"	285.134747	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H+Na"	23.996494
"715200"	421.702997	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H+Na"	23.996494
"1473394"	148.566497	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+Na"	23.996494
"1061170"	99.38009	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2H+Na"	25.00377
"1269409"	306.169986	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+CH3OH+H"	33.033486
"391630"	585.236158	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+K"	38.963158
"750806"	858.372658	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+K"	38.963158
"1553221"	312.099658	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K"	38.963158
"312584"	293.121717	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H+K"	39.970434
"700632"	429.689967	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H+K"	39.970434
"1454453"	156.553467	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+K"	39.970434
"245239"	588.306826	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+ACN+H"	42.033826
"1217951"	315.170326	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+ACN+H"	42.033826
"1207309"	158.088801	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+ACN+2H"	43.041102
"203360"	591.24416	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2Na-H"	44.97116
"643648"	864.38066	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2Na-H"	44.97116
"1145818"	318.10766	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2Na-H"	44.97116
"188383"	296.125718	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2Na"	45.978436
"628061"	432.693968	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2Na"	45.978436
"1130836"	159.557468	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2Na"	45.978436
"1413717"	106.707404	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+2Na"	46.985712
"1445017"	320.149246	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+HCOOH"	47.012746
"235489"	301.15874	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+3H2O+2H"	56.04448
"1523993"	334.20129	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+IsoProp+H"	61.06479
"424045"	304.112688	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Na+K"	61.952376
"785633"	440.680938	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+Na+K"	61.952376
"1681239"	167.544438	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na+K"	61.952376
"265455"	610.288768	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+ACN+Na"	64.015768
"1241003"	337.152268	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+ACN+Na"	64.015768
"1728025"	337.175793	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+NH4+HCOOH"	64.039293
"1188756"	114.034718	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+3Na"	68.967654
"1655730"	342.131188	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na+HCOOH"	68.994688
"172080"	623.19204	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2K-H"	76.91904
"610920"	896.32854	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2K-H"	76.91904
"1098948"	350.05554	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2K-H"	76.91904
"155163"	312.099658	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2K"	77.926316
"594358"	448.667908	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2K"	77.926316
"1082879"	175.531408	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2K"	77.926316
"1113902"	352.070092	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2K+H"	78.933592
"1350163"	352.157707	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+DMSO+H"	79.021207
"1017716"	356.196876	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2ACN+H"	83.060376
"1536570"	357.190508	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+IsoProp+Na+H"	84.054008
"1002286"	178.602076	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2ACN+2H"	84.067652
"1593509"	358.105128	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K+HCOOH"	84.968628
"1418075"	388.136638	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+CF3COOH"	115.000138
"1151644"	199.115351	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+3ACN+2H"	125.094202
"1705569"	405.163185	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+NH4+CF3COOH"	132.026685
"1643406"	410.11858	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na+CF3COOH"	136.98208
"1584526"	426.09252	"C06531"	"alpha-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K+CF3COOH"	152.95602
"813797"	273.1365	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M"	0
"984054"	254.11811	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H2O-H"	-19.01839
"74483"	181.083724	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-3H"	-3.021828
"514044"	272.129224	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-3H"	-3.021828
"890750"	90.038224	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-3H"	-3.021828
"9326"	272.129224	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H"	-2.014552
"449980"	408.697474	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H"	-2.014552
"825593"	135.560974	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H"	-2.014552
"90691"	545.265724	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-H"	-1.007276
"532075"	818.402224	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-H"	-1.007276
"902946"	272.129224	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H"	-1.007276
"59512"	562.292271	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H+NH4"	16.019271
"500908"	835.428771	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H+NH4"	16.019271
"879069"	289.155771	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H+NH4"	16.019271
"46241"	567.247666	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H+Na"	20.974666
"486530"	840.384166	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H+Na"	20.974666
"863236"	294.111166	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H+Na"	20.974666
"1632769"	294.111166	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na-2H"	20.974666
"107116"	290.117563	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-H+Cl"	33.962126
"547771"	426.685813	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-H+Cl"	33.962126
"940921"	153.549313	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+Cl"	33.962126
"278745"	581.242402	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Cl"	34.969402
"668978"	854.378902	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+Cl"	34.969402
"1285392"	308.105902	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl"	34.969402
"21751"	583.221606	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M-2H+K"	36.948606
"456936"	856.358106	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M-2H+K"	36.948606
"834009"	310.085106	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-2H+K"	36.948606
"1560414"	310.085106	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K-2H"	36.948606
"943921"	318.134694	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+HCOOH"	44.998194
"367608"	591.271201	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+HCOOH-H"	44.998201
"354774"	605.286851	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Hac-H"	59.013851
"1495586"	332.150351	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Hac-H"	59.013851
"959844"	340.116651	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+NaCOOH"	66.980151
"113854"	308.105902	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2Cl"	69.938804
"550741"	444.674152	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2Cl"	69.938804
"1022212"	171.537652	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2Cl"	69.938804
"1242154"	352.055385	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Br"	78.918885
"1308255"	354.111372	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl+HCOOH"	80.974872
"1327938"	376.093329	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl+NaCOOH"	102.956829
"916809"	386.122086	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M-H+CF3COOH"	112.985586
"1289508"	422.098764	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Cl+CF3COOH"	148.962264
"1367387"	238.123824	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H-2H2O"	-35.012676
"1383341"	256.1338	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H-H2O"	-17.0027
"283109"	547.280276	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H"	1.007276
"678005"	820.416776	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H"	1.007276
"1360914"	274.143776	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H"	1.007276
"126874"	274.143776	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2H"	2.014552
"567163"	410.712026	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2H"	2.014552
"1039980"	137.575526	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2H"	2.014552
"212260"	183.098276	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+3H"	3.021828
"647446"	274.143776	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+3H"	3.021828
"1166664"	92.052776	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+3H"	3.021828
"427023"	564.306823	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+NH4"	18.033823
"799691"	837.443323	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+NH4"	18.033823
"1689455"	291.170323	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+NH4"	18.033823
"337731"	282.6570495	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H+NH4"	19.041099
"727965"	419.2252995	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H+NH4"	19.041099
"1478868"	146.0887995	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+NH4"	19.041099
"400466"	569.262218	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Na"	22.989218
"768026"	842.398718	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+Na"	22.989218
"1616859"	296.125718	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na"	22.989218
"328358"	285.134747	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H+Na"	23.996494
"716403"	421.702997	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H+Na"	23.996494
"1473504"	148.566497	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+Na"	23.996494
"1061282"	99.38009	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2H+Na"	25.00377
"1267335"	306.169986	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+CH3OH+H"	33.033486
"389189"	585.236158	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+K"	38.963158
"750916"	858.372658	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+K"	38.963158
"1552602"	312.099658	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K"	38.963158
"311966"	293.121717	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+H+K"	39.970434
"705847"	429.689967	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+H+K"	39.970434
"1453470"	156.553467	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+K"	39.970434
"242070"	588.306826	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+ACN+H"	42.033826
"1218061"	315.170326	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+ACN+H"	42.033826
"1207055"	158.088801	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+ACN+2H"	43.041102
"203917"	591.24416	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2Na-H"	44.97116
"644202"	864.38066	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2Na-H"	44.97116
"1146999"	318.10766	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2Na-H"	44.97116
"188125"	296.125718	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2Na"	45.978436
"628407"	432.693968	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2Na"	45.978436
"1131070"	159.557468	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2Na"	45.978436
"1413700"	106.707404	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+2Na"	46.985712
"1445442"	320.149246	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+HCOOH"	47.012746
"234829"	301.15874	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+3H2O+2H"	56.04448
"1523496"	334.20129	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+IsoProp+H"	61.06479
"423913"	304.112688	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+Na+K"	61.952376
"785272"	440.680938	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+Na+K"	61.952376
"1680148"	167.544438	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na+K"	61.952376
"266300"	610.288768	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+ACN+Na"	64.015768
"1240668"	337.152268	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+ACN+Na"	64.015768
"1728012"	337.175793	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+NH4+HCOOH"	64.039293
"1193730"	114.034718	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+3Na"	68.967654
"1658030"	342.131188	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na+HCOOH"	68.994688
"172432"	623.19204	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2K-H"	76.91904
"612236"	896.32854	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2K-H"	76.91904
"1099587"	350.05554	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2K-H"	76.91904
"155030"	312.099658	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"2M+2K"	77.926316
"594348"	448.667908	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"3M+2K"	77.926316
"1082862"	175.531408	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2K"	77.926316
"1114983"	352.070092	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2K+H"	78.933592
"1350757"	352.157707	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+DMSO+H"	79.021207
"1020384"	356.196876	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2ACN+H"	83.060376
"1538138"	357.190508	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+IsoProp+Na+H"	84.054008
"1004465"	178.602076	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+2ACN+2H"	84.067652
"1599086"	358.105128	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K+HCOOH"	84.968628
"1424745"	388.136638	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+H+CF3COOH"	115.000138
"1155034"	199.115351	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+3ACN+2H"	125.094202
"1702399"	405.163185	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+NH4+CF3COOH"	132.026685
"1643516"	410.11858	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+Na+CF3COOH"	136.98208
"1584636"	426.09252	"C06532"	"beta-Erythroidine"	"C16H19NO3"	"273.1365"	"M+K+CF3COOH"	152.95602
"815000"	339.1471	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M"	0
"978697"	320.12871	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"63658"	225.090790666667	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"513059"	338.139824	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"891954"	112.041757333333	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"11623"	338.139824	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"450089"	507.713374	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"825703"	168.566274	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"90071"	677.286924	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"527443"	1016.434024	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"901963"	338.139824	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"58526"	694.313471	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"501861"	1033.460571	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"877720"	355.166371	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"43799"	699.268866	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"483357"	1038.415966	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"860063"	360.121766	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1630689"	360.121766	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"105033"	356.128163	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"547517"	525.701713	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"940301"	186.554613	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"278855"	713.263602	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"662528"	1052.410702	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1285866"	374.116502	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"20768"	715.242806	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"456033"	1054.389906	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"835212"	376.095706	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1559430"	376.095706	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"946583"	384.145294	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"365531"	723.292401	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"354884"	737.308051	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1496060"	398.160951	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"959589"	406.127251	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"111413"	374.116502	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"551701"	543.690052	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1022445"	204.542952	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1242508"	418.065985	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1306179"	420.121972	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1328048"	442.103929	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"916919"	452.132686	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1294721"	488.109364	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1368510"	304.134424	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1384547"	322.1444	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"284598"	679.301476	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"678115"	1018.448576	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1355557"	340.154376	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"127717"	340.154376	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"568369"	509.727926	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1040090"	170.580826	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"212370"	227.105342666667	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"648649"	340.154376	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1167868"	114.056309333333	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"427862"	696.328023	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"796880"	1035.475123	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1689565"	357.180923	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"336748"	348.6676495	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"728075"	518.2411995	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1478978"	179.0940995	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"399483"	701.283418	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"768625"	1040.430518	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1612958"	362.136318	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"326646"	351.145347	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"715420"	520.718897	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1472158"	181.571797	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1061392"	121.383623333333	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1267445"	372.180586	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"388207"	717.257358	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"749933"	1056.404458	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1551984"	378.110258	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"311712"	359.132317	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"705836"	528.705867	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1454673"	189.558767	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"242180"	720.328026	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1217076"	381.180926	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1206437"	191.094101	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"204194"	723.26536	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"644157"	1062.41246	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1146866"	384.11826	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"188541"	362.136318	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"628498"	531.709868	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1130079"	192.562768	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1413978"	128.710937333333	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1445366"	386.159846	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"235301"	367.16934	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1523608"	400.21189	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"423658"	370.123288	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"785016"	539.696838	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1680703"	200.549738	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"266169"	742.309968	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1241222"	403.162868	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1728243"	403.186393	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1193231"	136.038251333333	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1658140"	408.141788	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"172625"	755.21324	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"612348"	1094.36034	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1098677"	416.06614	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"156350"	378.110258	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"595305"	547.683808	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1082850"	208.536708	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1114845"	418.080692	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1350991"	418.168307	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1020733"	422.207476	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1537883"	423.201108	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"1005183"	211.607376	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1600289"	424.115728	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1424855"	454.147238	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1155144"	232.120651	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1703602"	471.173785	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1643626"	476.12918	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1584746"	492.10312	"C06533"	"Papaverine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"814017"	369.1576	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M"	0
"979900"	350.13921	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-H2O-H"	-19.01839
"63768"	245.097790666667	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M-3H"	-3.021828
"512076"	368.150324	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M-3H"	-3.021828
"892064"	122.045257333333	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-3H"	-3.021828
"11733"	368.150324	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M-2H"	-2.014552
"448012"	552.729124	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M-2H"	-2.014552
"821439"	183.571524	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-2H"	-2.014552
"84714"	737.307924	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M-H"	-1.007276
"527553"	1106.465524	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M-H"	-1.007276
"902073"	368.150324	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-H"	-1.007276
"54262"	754.334471	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M-2H+NH4"	16.019271
"498203"	1123.492071	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M-2H+NH4"	16.019271
"874914"	385.176871	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-2H+NH4"	16.019271
"40627"	759.289866	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M-2H+Na"	20.974666
"475814"	1128.447466	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M-2H+Na"	20.974666
"856894"	390.132266	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-2H+Na"	20.974666
"1620957"	390.132266	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Na-2H"	20.974666
"96394"	386.138663	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M-H+Cl"	33.962126
"546534"	570.717463	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M-H+Cl"	33.962126
"938225"	201.559863	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-H+Cl"	33.962126
"277872"	773.284602	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+Cl"	34.969402
"662638"	1142.442202	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+Cl"	34.969402
"1285976"	404.127002	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Cl"	34.969402
"18691"	775.263806	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M-2H+K"	36.948606
"455910"	1144.421406	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M-2H+K"	36.948606
"833257"	406.106206	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-2H+K"	36.948606
"1555895"	406.106206	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+K-2H"	36.948606
"947422"	414.155794	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-H+HCOOH"	44.998194
"364912"	783.313401	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+HCOOH-H"	44.998201
"354994"	797.329051	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+Hac-H"	59.013851
"1495442"	428.171451	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Hac-H"	59.013851
"959335"	436.137751	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-H+NaCOOH"	66.980151
"112617"	404.127002	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+2Cl"	69.938804
"551084"	588.705802	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+2Cl"	69.938804
"1024619"	219.548202	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2Cl"	69.938804
"1243834"	448.076485	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Br"	78.918885
"1305190"	450.132472	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Cl+HCOOH"	80.974872
"1328158"	472.114429	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Cl+NaCOOH"	102.956829
"917029"	482.143186	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M-H+CF3COOH"	112.985586
"1297018"	518.119864	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Cl+CF3COOH"	148.962264
"1369713"	334.144924	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H-2H2O"	-35.012676
"1386115"	352.1549	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H-H2O"	-17.0027
"285802"	739.322476	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+H"	1.007276
"680411"	1108.480076	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+H"	1.007276
"1356760"	370.164876	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H"	1.007276
"127099"	370.164876	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+2H"	2.014552
"566657"	554.743676	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+2H"	2.014552
"1039228"	185.586076	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2H"	2.014552
"210293"	247.112342666667	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+3H"	3.021828
"648758"	370.164876	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+3H"	3.021828
"1169071"	124.059809333333	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+3H"	3.021828
"427970"	756.349023	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+NH4"	18.033823
"796990"	1125.506623	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+NH4"	18.033823
"1687486"	387.191423	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+NH4"	18.033823
"334671"	378.6781495	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+H+NH4"	19.041099
"727088"	563.2569495	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+H+NH4"	19.041099
"1480910"	194.0993495	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H+NH4"	19.041099
"394121"	761.304418	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+Na"	22.989218
"768856"	1130.462018	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+Na"	22.989218
"1611974"	392.146818	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Na"	22.989218
"325663"	381.155847	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+H+Na"	23.996494
"715530"	565.734647	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+H+Na"	23.996494
"1472632"	196.577047	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H+Na"	23.996494
"1060409"	131.387123333333	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2H+Na"	25.00377
"1264273"	402.191086	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+CH3OH+H"	33.033486
"389046"	777.278358	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+K"	38.963158
"749314"	1146.435958	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+K"	38.963158
"1551730"	408.120758	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+K"	38.963158
"309635"	389.142817	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+H+K"	39.970434
"704974"	573.721617	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+H+K"	39.970434
"1453326"	204.564017	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H+K"	39.970434
"244478"	780.349026	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+ACN+H"	42.033826
"1217185"	411.191426	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+ACN+H"	42.033826
"1204359"	206.099351	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+ACN+2H"	43.041102
"200153"	783.28636	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+2Na-H"	44.97116
"643367"	1152.44396	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+2Na-H"	44.97116
"1145658"	414.12876	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2Na-H"	44.97116
"188103"	392.146818	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+2Na"	45.978436
"628355"	576.725618	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+2Na"	45.978436
"1129704"	207.568018	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2Na"	45.978436
"1414094"	138.714437333333	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H+2Na"	46.985712
"1445109"	416.170346	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H+HCOOH"	47.012746
"235292"	397.17984	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+3H2O+2H"	56.04448
"1523353"	430.22239	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+IsoProp+H"	61.06479
"423523"	400.133788	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+Na+K"	61.952376
"784638"	584.712588	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+Na+K"	61.952376
"1680731"	215.554988	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Na+K"	61.952376
"266844"	802.330968	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+ACN+Na"	64.015768
"1239465"	433.173368	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+ACN+Na"	64.015768
"1725195"	433.196893	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+NH4+HCOOH"	64.039293
"1192734"	146.041751333333	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+3Na"	68.967654
"1658250"	438.152288	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Na+HCOOH"	68.994688
"172164"	815.23424	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+2K-H"	76.91904
"612093"	1184.39184	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+2K-H"	76.91904
"1098666"	446.07664	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2K-H"	76.91904
"156217"	408.120758	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"2M+2K"	77.926316
"594321"	592.699558	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"3M+2K"	77.926316
"1081988"	223.541958	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2K"	77.926316
"1113861"	448.091192	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2K+H"	78.933592
"1348424"	448.178807	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+DMSO+H"	79.021207
"1019141"	452.217976	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2ACN+H"	83.060376
"1536171"	453.211608	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+IsoProp+Na+H"	84.054008
"1004078"	226.612626	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+2ACN+2H"	84.067652
"1600399"	454.126228	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+K+HCOOH"	84.968628
"1424965"	484.157738	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+H+CF3COOH"	115.000138
"1155254"	247.125901	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+3ACN+2H"	125.094202
"1702619"	501.184285	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+NH4+CF3COOH"	132.026685
"1643736"	506.13968	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+Na+CF3COOH"	136.98208
"1584856"	522.11362	"C06534"	"Heroin;Diamorphine;Diacetylmorphine"	"C21H23NO5"	"369.1576"	"M+K+CF3COOH"	152.95602
"815220"	275.1634	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M"	0
"981104"	256.14501	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-H2O-H"	-19.01839
"67158"	182.434990666667	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M-3H"	-3.021828
"514373"	274.156124	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M-3H"	-3.021828
"892174"	90.7138573333333	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-3H"	-3.021828
"11843"	274.156124	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M-2H"	-2.014552
"448122"	411.737824	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M-2H"	-2.014552
"822642"	136.574424	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-2H"	-2.014552
"85917"	549.319524	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M-H"	-1.007276
"527663"	824.482924	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M-H"	-1.007276
"904369"	274.156124	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-H"	-1.007276
"55465"	566.346071	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M-2H+NH4"	16.019271
"493937"	841.509471	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M-2H+NH4"	16.019271
"875024"	291.182671	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-2H+NH4"	16.019271
"39644"	571.301466	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M-2H+Na"	20.974666
"477016"	846.464866	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M-2H+Na"	20.974666
"854818"	296.138066	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-2H+Na"	20.974666
"1622160"	296.138066	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Na-2H"	20.974666
"97597"	292.144463	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M-H+Cl"	33.962126
"548102"	429.726163	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M-H+Cl"	33.962126
"941374"	154.562763	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-H+Cl"	33.962126
"274702"	585.296202	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+Cl"	34.969402
"663112"	860.459602	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+Cl"	34.969402
"1285722"	310.132802	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Cl"	34.969402
"16490"	587.275406	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M-2H+K"	36.948606
"456779"	862.438806	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M-2H+K"	36.948606
"833974"	312.112006	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-2H+K"	36.948606
"1556369"	312.112006	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+K-2H"	36.948606
"947532"	320.161594	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-H+HCOOH"	44.998194
"364658"	595.325001	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+HCOOH-H"	44.998201
"352188"	609.340651	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+Hac-H"	59.013851
"1495552"	334.177251	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Hac-H"	59.013851
"960173"	342.143551	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-H+NaCOOH"	66.980151
"114548"	310.132802	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+2Cl"	69.938804
"552287"	447.714502	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+2Cl"	69.938804
"1024729"	172.551102	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2Cl"	69.938804
"1245038"	354.082285	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Br"	78.918885
"1304693"	356.138272	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Cl+HCOOH"	80.974872
"1328268"	378.120229	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Cl+NaCOOH"	102.956829
"918233"	388.148986	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M-H+CF3COOH"	112.985586
"1292755"	424.125664	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Cl+CF3COOH"	148.962264
"1369094"	240.150724	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H-2H2O"	-35.012676
"1386225"	258.1607	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H-H2O"	-17.0027
"291380"	551.334076	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+H"	1.007276
"680885"	826.497476	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+H"	1.007276
"1361245"	276.170676	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H"	1.007276
"129395"	276.170676	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+2H"	2.014552
"568590"	413.752376	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+2H"	2.014552
"1040308"	138.588976	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2H"	2.014552
"210401"	184.449542666667	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+3H"	3.021828
"645948"	276.170676	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+3H"	3.021828
"1168088"	92.7284093333333	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+3H"	3.021828
"430266"	568.360623	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+NH4"	18.033823
"791267"	843.524023	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+NH4"	18.033823
"1685406"	293.197223	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+NH4"	18.033823
"335140"	284.6839495	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+H+NH4"	19.041099
"723184"	422.2656495	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+H+NH4"	19.041099
"1477611"	147.1022495	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H+NH4"	19.041099
"393251"	573.316018	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+Na"	22.989218
"762888"	848.479418	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+Na"	22.989218
"1616822"	298.152618	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Na"	22.989218
"328202"	287.161647	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+H+Na"	23.996494
"716733"	424.743347	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+H+Na"	23.996494
"1473834"	149.579947	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H+Na"	23.996494
"1062705"	100.055723333333	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2H+Na"	25.00377
"1265476"	308.196886	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+CH3OH+H"	33.033486
"388425"	589.289958	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+K"	38.963158
"750881"	864.453358	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+K"	38.963158
"1552567"	314.126558	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+K"	38.963158
"312660"	295.148617	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+H+K"	39.970434
"703988"	432.730317	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+H+K"	39.970434
"1450520"	157.566917	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H+K"	39.970434
"242400"	592.360626	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+ACN+H"	42.033826
"1214015"	317.197226	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+ACN+H"	42.033826
"1198994"	159.102251	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+ACN+2H"	43.041102
"198435"	595.29796	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+2Na-H"	44.97116
"643478"	870.46136	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+2Na-H"	44.97116
"1146264"	320.13456	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2Na-H"	44.97116
"188290"	298.152618	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+2Na"	45.978436
"628012"	435.734318	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+2Na"	45.978436
"1127500"	160.570918	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2Na"	45.978436
"1412241"	107.383037333333	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H+2Na"	46.985712
"1445100"	322.176146	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H+HCOOH"	47.012746
"235523"	303.18564	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+3H2O+2H"	56.04448
"1523785"	336.22819	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+IsoProp+H"	61.06479
"423512"	306.139588	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+Na+K"	61.952376
"783897"	443.721288	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+Na+K"	61.952376
"1680962"	168.557888	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Na+K"	61.952376
"265778"	614.342568	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+ACN+Na"	64.015768
"1240554"	339.179168	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+ACN+Na"	64.015768
"1725305"	339.202693	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+NH4+HCOOH"	64.039293
"1193090"	114.710351333333	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+3Na"	68.967654
"1662735"	344.158088	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Na+HCOOH"	68.994688
"170939"	627.24584	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+2K-H"	76.91904
"611721"	902.40924	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+2K-H"	76.91904
"1097687"	352.08244	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2K-H"	76.91904
"154149"	314.126558	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"2M+2K"	77.926316
"595768"	451.708258	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"3M+2K"	77.926316
"1081855"	176.544858	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2K"	77.926316
"1113486"	354.096992	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2K+H"	78.933592
"1348531"	354.184607	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+DMSO+H"	79.021207
"1018888"	358.223776	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2ACN+H"	83.060376
"1538103"	359.217408	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+IsoProp+Na+H"	84.054008
"1003824"	179.615526	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+2ACN+2H"	84.067652
"1599416"	360.132028	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+K+HCOOH"	84.968628
"1425075"	390.163538	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+H+CF3COOH"	115.000138
"1155364"	200.128801	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+3ACN+2H"	125.094202
"1706009"	407.190085	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+NH4+CF3COOH"	132.026685
"1643846"	412.14548	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+Na+CF3COOH"	136.98208
"1584966"	428.11942	"C06535"	"Physostigmine;Eserine"	"C15H21N3O2"	"275.1634"	"M+K+CF3COOH"	152.95602
"815330"	214.1106	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M"	0
"981214"	195.09221	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-H2O-H"	-19.01839
"69455"	141.733124	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M-3H"	-3.021828
"511203"	213.103324	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M-3H"	-3.021828
"886817"	70.362924	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-3H"	-3.021828
"9766"	213.103324	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M-2H"	-2.014552
"443858"	320.158624	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M-2H"	-2.014552
"819107"	106.048024	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-2H"	-2.014552
"87120"	427.213924	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M-H"	-1.007276
"521939"	641.324524	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M-H"	-1.007276
"902292"	213.103324	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-H"	-1.007276
"50471"	444.240471	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M-2H+NH4"	16.019271
"497327"	658.351071	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M-2H+NH4"	16.019271
"871853"	230.129871	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-2H+NH4"	16.019271
"38660"	449.195866	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M-2H+Na"	20.974666
"475303"	663.306466	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M-2H+Na"	20.974666
"856020"	235.085266	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-2H+Na"	20.974666
"1626642"	235.085266	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Na-2H"	20.974666
"96977"	231.091663	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M-H+Cl"	33.962126
"537627"	338.146963	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M-H+Cl"	33.962126
"931878"	124.036363	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-H+Cl"	33.962126
"275905"	463.190602	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+Cl"	34.969402
"666138"	677.301202	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+Cl"	34.969402
"1280729"	249.080002	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Cl"	34.969402
"18911"	465.169806	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M-2H+K"	36.948606
"457011"	679.280406	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M-2H+K"	36.948606
"837000"	251.059206	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-2H+K"	36.948606
"1559395"	251.059206	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+K-2H"	36.948606
"945454"	259.108794	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-H+HCOOH"	44.998194
"365861"	473.219401	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+HCOOH-H"	44.998201
"352298"	487.235051	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+Hac-H"	59.013851
"1495661"	273.124451	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Hac-H"	59.013851
"959675"	281.090751	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-H+NaCOOH"	66.980151
"113202"	249.080002	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+2Cl"	69.938804
"551058"	356.135302	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+2Cl"	69.938804
"1024838"	142.024702	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2Cl"	69.938804
"1247336"	293.029485	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Br"	78.918885
"1305413"	295.085472	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Cl+HCOOH"	80.974872
"1324003"	317.067429	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Cl+NaCOOH"	102.956829
"917249"	327.096186	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M-H+CF3COOH"	112.985586
"1299424"	363.072864	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Cl+CF3COOH"	148.962264
"1368841"	179.097924	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H-2H2O"	-35.012676
"1386698"	197.1079	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H-H2O"	-17.0027
"287480"	429.228476	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+H"	1.007276
"680631"	643.339076	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+H"	1.007276
"1362448"	215.117876	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H"	1.007276
"129505"	215.117876	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+2H"	2.014552
"570158"	322.173176	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+2H"	2.014552
"1038597"	108.062576	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2H"	2.014552
"208325"	143.747676	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+3H"	3.021828
"646057"	215.117876	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+3H"	3.021828
"1168198"	72.377476	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+3H"	3.021828
"429283"	446.255023	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+NH4"	18.033823
"791377"	660.365623	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+NH4"	18.033823
"1684787"	232.144423	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+NH4"	18.033823
"332334"	223.6311495	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+H+NH4"	19.041099
"723294"	330.6864495	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+H+NH4"	19.041099
"1477843"	116.5758495	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H+NH4"	19.041099
"393401"	451.210418	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+Na"	22.989218
"760811"	665.321018	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+Na"	22.989218
"1616565"	237.099818	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Na"	22.989218
"329405"	226.108847	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+H+Na"	23.996494
"720125"	333.164147	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+H+Na"	23.996494
"1472851"	119.053547	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H+Na"	23.996494
"1062815"	79.70479	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2H+Na"	25.00377
"1264493"	247.144086	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+CH3OH+H"	33.033486
"391574"	467.184358	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+K"	38.963158
"753868"	681.294958	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+K"	38.963158
"1554138"	253.073758	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+K"	38.963158
"313741"	234.095817	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+H+K"	39.970434
"701182"	341.151117	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+H+K"	39.970434
"1451723"	127.040517	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H+K"	39.970434
"239232"	470.255026	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+ACN+H"	42.033826
"1215220"	256.144426	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+ACN+H"	42.033826
"1203478"	128.575851	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+ACN+2H"	43.041102
"197451"	473.19236	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+2Na-H"	44.97116
"643343"	687.30296	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+2Na-H"	44.97116
"1146850"	259.08176	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2Na-H"	44.97116
"187588"	237.099818	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+2Na"	45.978436
"626297"	344.155118	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+2Na"	45.978436
"1127974"	130.044518	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2Na"	45.978436
"1407124"	87.032104	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H+2Na"	46.985712
"1435959"	261.123346	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H+HCOOH"	47.012746
"233677"	242.13284	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+3H2O+2H"	56.04448
"1523444"	275.17539	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+IsoProp+H"	61.06479
"423494"	245.086788	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+Na+K"	61.952376
"784617"	352.142088	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+Na+K"	61.952376
"1680920"	138.031488	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Na+K"	61.952376
"266500"	492.236968	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+ACN+Na"	64.015768
"1241191"	278.126368	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+ACN+Na"	64.015768
"1725415"	278.149893	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+NH4+HCOOH"	64.039293
"1192226"	94.359418	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+3Na"	68.967654
"1660659"	283.105288	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Na+HCOOH"	68.994688
"171170"	505.14024	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+2K-H"	76.91904
"612437"	719.25084	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+2K-H"	76.91904
"1097068"	291.02964	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2K-H"	76.91904
"156200"	253.073758	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"2M+2K"	77.926316
"595270"	360.129058	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"3M+2K"	77.926316
"1082329"	146.018458	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2K"	77.926316
"1112259"	293.044192	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2K+H"	78.933592
"1349006"	293.131807	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+DMSO+H"	79.021207
"1018998"	297.170976	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2ACN+H"	83.060376
"1537121"	298.164608	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+IsoProp+Na+H"	84.054008
"1003204"	149.089126	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+2ACN+2H"	84.067652
"1599526"	299.079228	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+K+HCOOH"	84.968628
"1421905"	329.110738	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+H+CF3COOH"	115.000138
"1155474"	169.602401	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+3ACN+2H"	125.094202
"1706119"	346.137285	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+NH4+CF3COOH"	132.026685
"1643956"	351.09268	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+Na+CF3COOH"	136.98208
"1585076"	367.06662	"C06536"	"Harmaline"	"C13H14N2O"	"214.1106"	"M+K+CF3COOH"	152.95602
"815440"	200.095	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M"	0
"980229"	181.07661	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-H2O-H"	-19.01839
"70658"	132.389390666667	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M-3H"	-3.021828
"510218"	199.087724	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M-3H"	-3.021828
"889113"	65.6910573333333	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-3H"	-3.021828
"9876"	199.087724	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M-2H"	-2.014552
"447248"	299.135224	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M-2H"	-2.014552
"819217"	99.040224	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-2H"	-2.014552
"87230"	399.182724	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M-H"	-1.007276
"522779"	599.277724	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M-H"	-1.007276
"899122"	199.087724	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-H"	-1.007276
"51311"	416.209271	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M-2H+NH4"	16.019271
"501325"	616.304271	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M-2H+NH4"	16.019271
"877426"	216.114271	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-2H+NH4"	16.019271
"38770"	421.164666	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M-2H+Na"	20.974666
"476143"	621.259666	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M-2H+Na"	20.974666
"857223"	221.069666	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-2H+Na"	20.974666
"1625659"	221.069666	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Na-2H"	20.974666
"95262"	217.076063	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M-H+Cl"	33.962126
"535913"	317.123563	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M-H+Cl"	33.962126
"928699"	117.028563	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-H+Cl"	33.962126
"272731"	435.159402	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+Cl"	34.969402
"666248"	635.254402	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+Cl"	34.969402
"1280839"	235.064402	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Cl"	34.969402
"20114"	437.138606	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M-2H+K"	36.948606
"458944"	637.233606	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M-2H+K"	36.948606
"833830"	237.043606	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-2H+K"	36.948606
"1562057"	237.043606	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+K-2H"	36.948606
"948481"	245.093194	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-H+HCOOH"	44.998194
"366335"	445.188201	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+HCOOH-H"	44.998201
"353501"	459.203851	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+Hac-H"	59.013851
"1496135"	259.108851	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Hac-H"	59.013851
"959420"	267.075151	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-H+NaCOOH"	66.980151
"113310"	235.064402	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+2Cl"	69.938804
"551412"	335.111902	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+2Cl"	69.938804
"1023492"	135.016902	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2Cl"	69.938804
"1243437"	279.013885	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Br"	78.918885
"1306616"	281.069872	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Cl+HCOOH"	80.974872
"1324113"	303.051829	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Cl+NaCOOH"	102.956829
"914079"	313.080586	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M-H+CF3COOH"	112.985586
"1297348"	349.057264	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Cl+CF3COOH"	148.962264
"1369316"	165.082324	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H-2H2O"	-35.012676
"1387538"	183.0923	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H-H2O"	-17.0027
"288320"	401.197276	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+H"	1.007276
"680741"	601.292276	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+H"	1.007276
"1361465"	201.102276	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H"	1.007276
"129980"	201.102276	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+2H"	2.014552
"566988"	301.149776	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+2H"	2.014552
"1038464"	101.054776	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2H"	2.014552
"209528"	134.403942666667	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+3H"	3.021828
"644832"	201.102276	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+3H"	3.021828
"1168308"	67.7056093333333	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+3H"	3.021828
"430486"	418.223823	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+NH4"	18.033823
"791487"	618.318823	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+NH4"	18.033823
"1684533"	218.128823	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+NH4"	18.033823
"332444"	209.6155495	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+H+NH4"	19.041099
"723770"	309.6630495	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+H+NH4"	19.041099
"1477139"	109.5680495	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H+NH4"	19.041099
"392903"	423.179218	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+Na"	22.989218
"757636"	623.274218	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+Na"	22.989218
"1611207"	223.084218	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Na"	22.989218
"324528"	212.093247	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+H+Na"	23.996494
"720233"	312.140747	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+H+Na"	23.996494
"1471868"	112.045747	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H+Na"	23.996494
"1066204"	75.0329233333333	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2H+Na"	25.00377
"1268975"	233.128486	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+CH3OH+H"	33.033486
"389738"	439.153158	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+K"	38.963158
"751827"	639.248158	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+K"	38.963158
"1554854"	239.058158	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+K"	38.963158
"312515"	220.080217	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+H+K"	39.970434
"703482"	320.127717	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+H+K"	39.970434
"1449646"	120.032717	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H+K"	39.970434
"238249"	442.223826	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+ACN+H"	42.033826
"1210958"	242.128826	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+ACN+H"	42.033826
"1201403"	121.568051	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+ACN+2H"	43.041102
"197561"	445.16116	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+2Na-H"	44.97116
"643454"	645.25616	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+2Na-H"	44.97116
"1145866"	245.06616	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2Na-H"	44.97116
"187577"	223.084218	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+2Na"	45.978436
"627257"	323.131718	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+2Na"	45.978436
"1126991"	123.036718	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2Na"	45.978436
"1408327"	82.3602373333333	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H+2Na"	46.985712
"1436069"	247.107746	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H+HCOOH"	47.012746
"234641"	228.11724	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+3H2O+2H"	56.04448
"1523315"	261.15979	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+IsoProp+H"	61.06479
"422996"	231.071188	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+Na+K"	61.952376
"784970"	331.118688	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+Na+K"	61.952376
"1680572"	131.023688	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Na+K"	61.952376
"265750"	464.205768	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+ACN+Na"	64.015768
"1239551"	264.110768	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+ACN+Na"	64.015768
"1721143"	264.134293	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+NH4+HCOOH"	64.039293
"1192331"	89.6875513333333	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+3Na"	68.967654
"1661863"	269.089688	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Na+HCOOH"	68.994688
"171764"	477.10904	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+2K-H"	76.91904
"611819"	677.20404	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+2K-H"	76.91904
"1097904"	277.01404	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2K-H"	76.91904
"155700"	239.058158	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"2M+2K"	77.926316
"594288"	339.105658	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"3M+2K"	77.926316
"1081346"	139.010658	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2K"	77.926316
"1112005"	279.028592	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2K+H"	78.933592
"1348752"	279.116207	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+DMSO+H"	79.021207
"1019475"	283.155376	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2ACN+H"	83.060376
"1536138"	284.149008	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+IsoProp+Na+H"	84.054008
"1001857"	142.081326	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+2ACN+2H"	84.067652
"1601459"	285.063628	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+K+HCOOH"	84.968628
"1422016"	315.095138	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+H+CF3COOH"	115.000138
"1158865"	162.594601	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+3ACN+2H"	125.094202
"1706229"	332.121685	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+NH4+CF3COOH"	132.026685
"1644066"	337.07708	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+Na+CF3COOH"	136.98208
"1585186"	353.05102	"C06537"	"Harmalol"	"C12H12N2O"	"200.095"	"M+K+CF3COOH"	152.95602
"805709"	212.095	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M"	0
"982526"	193.07661	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-H2O-H"	-19.01839
"70769"	140.389390666667	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M-3H"	-3.021828
"508141"	211.087724	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M-3H"	-3.021828
"888130"	69.6910573333333	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-3H"	-3.021828
"12173"	211.087724	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M-2H"	-2.014552
"448453"	317.135224	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M-2H"	-2.014552
"818963"	105.040224	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-2H"	-2.014552
"86247"	423.182724	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M-H"	-1.007276
"519974"	635.277724	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M-H"	-1.007276
"903607"	211.087724	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-H"	-1.007276
"53608"	440.209271	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M-2H+NH4"	16.019271
"500462"	652.304271	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M-2H+NH4"	16.019271
"878144"	228.114271	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-2H+NH4"	16.019271
"38880"	445.164666	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M-2H+Na"	20.974666
"477346"	657.259666	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M-2H+Na"	20.974666
"856240"	233.069666	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-2H+Na"	20.974666
"1623583"	233.069666	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Na-2H"	20.974666
"96830"	229.076063	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M-H+Cl"	33.962126
"536389"	335.123563	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M-H+Cl"	33.962126
"933184"	123.028563	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-H+Cl"	33.962126
"267168"	459.159402	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+Cl"	34.969402
"660523"	671.254402	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+Cl"	34.969402
"1279856"	247.064402	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Cl"	34.969402
"18038"	461.138606	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M-2H+K"	36.948606
"459054"	673.233606	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M-2H+K"	36.948606
"841959"	249.043606	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-2H+K"	36.948606
"1565447"	249.043606	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+K-2H"	36.948606
"950051"	257.093194	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-H+HCOOH"	44.998194
"368268"	469.188201	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+HCOOH-H"	44.998201
"353247"	483.203851	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+Hac-H"	59.013851
"1494424"	271.108851	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Hac-H"	59.013851
"959047"	279.075151	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-H+NaCOOH"	66.980151
"111965"	247.064402	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+2Cl"	69.938804
"551889"	353.111902	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+2Cl"	69.938804
"1024698"	141.016902	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2Cl"	69.938804
"1247557"	291.013885	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Br"	78.918885
"1305633"	293.069872	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Cl+HCOOH"	80.974872
"1323130"	315.051829	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Cl+NaCOOH"	102.956829
"916375"	325.080586	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M-H+CF3COOH"	112.985586
"1295270"	361.057264	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Cl+CF3COOH"	148.962264
"1373435"	177.082324	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H-2H2O"	-35.012676
"1385099"	195.0923	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H-H2O"	-17.0027
"287338"	425.197276	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+H"	1.007276
"681946"	637.292276	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+H"	1.007276
"1364493"	213.102276	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H"	1.007276
"128996"	213.102276	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+2H"	2.014552
"566732"	319.149776	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+2H"	2.014552
"1037846"	107.054776	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2H"	2.014552
"209638"	142.403942666667	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+3H"	3.021828
"645186"	213.102276	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+3H"	3.021828
"1169511"	71.7056093333333	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+3H"	3.021828
"429503"	442.223823	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+NH4"	18.033823
"792690"	654.318823	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+NH4"	18.033823
"1683550"	230.128823	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+NH4"	18.033823
"331461"	221.6155495	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+H+NH4"	19.041099
"724243"	327.6630495	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+H+NH4"	19.041099
"1477457"	115.5680495	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H+NH4"	19.041099
"393828"	447.179218	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+Na"	22.989218
"757746"	659.274218	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+Na"	22.989218
"1612409"	235.084218	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Na"	22.989218
"318072"	224.093247	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+H+Na"	23.996494
"711591"	330.140747	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+H+Na"	23.996494
"1470880"	118.045747	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H+Na"	23.996494
"1060846"	79.0329233333333	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2H+Na"	25.00377
"1264710"	245.128486	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+CH3OH+H"	33.033486
"389848"	463.153158	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+K"	38.963158
"749748"	675.248158	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+K"	38.963158
"1553992"	251.058158	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+K"	38.963158
"311165"	232.080217	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+H+K"	39.970434
"703590"	338.127717	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+H+K"	39.970434
"1454129"	126.032717	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H+K"	39.970434
"236291"	466.223826	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+ACN+H"	42.033826
"1212521"	254.128826	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+ACN+H"	42.033826
"1200420"	127.568051	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+ACN+2H"	43.041102
"200947"	469.16116	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+2Na-H"	44.97116
"641977"	681.25616	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+2Na-H"	44.97116
"1145117"	257.06616	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2Na-H"	44.97116
"187315"	235.084218	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+2Na"	45.978436
"627608"	341.131718	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+2Na"	45.978436
"1123821"	129.036718	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2Na"	45.978436
"1401147"	86.3602373333333	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H+2Na"	46.985712
"1433260"	259.107746	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H+HCOOH"	47.012746
"233532"	240.11724	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+3H2O+2H"	56.04448
"1523055"	273.15979	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+IsoProp+H"	61.06479
"423108"	243.071188	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+Na+K"	61.952376
"784711"	349.118688	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+Na+K"	61.952376
"1680434"	137.023688	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Na+K"	61.952376
"264400"	488.205768	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+ACN+Na"	64.015768
"1240754"	276.110768	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+ACN+Na"	64.015768
"1721253"	276.134293	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+NH4+HCOOH"	64.039293
"1191712"	93.6875513333333	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+3Na"	68.967654
"1654314"	281.089688	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Na+HCOOH"	68.994688
"171023"	501.10904	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+2K-H"	76.91904
"611810"	713.20404	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+2K-H"	76.91904
"1098013"	289.01404	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2K-H"	76.91904
"156052"	251.058158	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"2M+2K"	77.926316
"594762"	357.105658	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"3M+2K"	77.926316
"1081457"	145.010658	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2K"	77.926316
"1112481"	291.028592	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2K+H"	78.933592
"1348743"	291.116207	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+DMSO+H"	79.021207
"1020184"	295.155376	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2ACN+H"	83.060376
"1538674"	296.149008	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+IsoProp+Na+H"	84.054008
"1004880"	148.081326	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+2ACN+2H"	84.067652
"1600839"	297.063628	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+K+HCOOH"	84.968628
"1422125"	327.095138	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+H+CF3COOH"	115.000138
"1158975"	168.594601	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+3ACN+2H"	125.094202
"1706339"	344.121685	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+NH4+CF3COOH"	132.026685
"1644176"	349.07708	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+Na+CF3COOH"	136.98208
"1585296"	365.05102	"C06538"	"Harmine"	"C13H12N2O"	"212.095"	"M+K+CF3COOH"	152.95602
"809099"	608.2734	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M"	0
"984823"	589.25501	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-H2O-H"	-19.01839
"69786"	404.508324	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M-3H"	-3.021828
"507158"	607.266124	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M-3H"	-3.021828
"890427"	201.750524	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-3H"	-3.021828
"11191"	607.266124	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M-2H"	-2.014552
"448563"	911.402824	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M-2H"	-2.014552
"821990"	303.129424	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-2H"	-2.014552
"85264"	1215.539524	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M-H"	-1.007276
"528103"	1823.812924	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M-H"	-1.007276
"902624"	607.266124	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-H"	-1.007276
"51532"	1232.566071	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M-2H+NH4"	16.019271
"499603"	1840.839471	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M-2H+NH4"	16.019271
"877892"	624.292671	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-2H+NH4"	16.019271
"42270"	1237.521466	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M-2H+Na"	20.974666
"479643"	1845.794866	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M-2H+Na"	20.974666
"859630"	629.248066	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-2H+Na"	20.974666
"1628067"	629.248066	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Na-2H"	20.974666
"100221"	625.254463	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M-H+Cl"	33.962126
"537593"	929.391163	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M-H+Cl"	33.962126
"934388"	321.117763	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-H+Cl"	33.962126
"269667"	1251.516202	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+Cl"	34.969402
"663185"	1859.789602	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+Cl"	34.969402
"1285433"	643.242802	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Cl"	34.969402
"20335"	1253.495406	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M-2H+K"	36.948606
"459164"	1861.768806	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M-2H+K"	36.948606
"844256"	645.222006	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-2H+K"	36.948606
"1564465"	645.222006	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+K-2H"	36.948606
"953078"	653.271594	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-H+HCOOH"	44.998194
"370565"	1261.545001	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+HCOOH-H"	44.998201
"358096"	1275.560651	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+Hac-H"	59.013851
"1496721"	667.287251	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Hac-H"	59.013851
"966448"	675.253551	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-H+NaCOOH"	66.980151
"112075"	643.242802	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+2Cl"	69.938804
"552729"	947.379502	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+2Cl"	69.938804
"1026995"	339.106102	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2Cl"	69.938804
"1247667"	687.192285	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Br"	78.918885
"1306107"	689.248272	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Cl+HCOOH"	80.974872
"1323240"	711.230229	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Cl+NaCOOH"	102.956829
"914299"	721.258986	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M-H+CF3COOH"	112.985586
"1294287"	757.235664	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Cl+CF3COOH"	148.962264
"1376825"	573.260724	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H-2H2O"	-35.012676
"1389948"	591.2707	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H-H2O"	-17.0027
"293280"	1217.554076	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+H"	1.007276
"688982"	1825.827476	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+H"	1.007276
"1363876"	609.280676	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H"	1.007276
"130200"	609.280676	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+2H"	2.014552
"570854"	913.417376	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+2H"	2.014552
"1037955"	305.143976	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2H"	2.014552
"209748"	406.522876	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+3H"	3.021828
"646755"	609.280676	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+3H"	3.021828
"1168528"	203.765076	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+3H"	3.021828
"430707"	1234.580623	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+NH4"	18.033823
"789520"	1842.854023	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+NH4"	18.033823
"1683660"	626.307223	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+NH4"	18.033823
"331207"	617.7939495	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+H+NH4"	19.041099
"724720"	921.9306495	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+H+NH4"	19.041099
"1480362"	313.6572495	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H+NH4"	19.041099
"397947"	1239.536018	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+Na"	22.989218
"756763"	1847.809418	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+Na"	22.989218
"1613248"	631.262618	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Na"	22.989218
"317088"	620.271647	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+H+Na"	23.996494
"713887"	924.408347	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+H+Na"	23.996494
"1468803"	316.134947	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H+Na"	23.996494
"1060956"	211.09239	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2H+Na"	25.00377
"1264820"	641.306886	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+CH3OH+H"	33.033486
"388865"	1255.509958	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+K"	38.963158
"749858"	1863.783358	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+K"	38.963158
"1554954"	647.236558	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+K"	38.963158
"310911"	628.258617	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+H+K"	39.970434
"703701"	932.395317	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+H+K"	39.970434
"1457519"	324.121917	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H+K"	39.970434
"239562"	1258.580626	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+ACN+H"	42.033826
"1215547"	650.307226	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+ACN+H"	42.033826
"1200530"	325.657251	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+ACN+2H"	43.041102
"201057"	1261.51796	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+2Na-H"	44.97116
"634055"	1869.79136	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+2Na-H"	44.97116
"1144867"	653.24456	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2Na-H"	44.97116
"186336"	631.262618	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+2Na"	45.978436
"626989"	935.399318	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+2Na"	45.978436
"1127211"	327.125918	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2Na"	45.978436
"1405630"	218.419704	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H+2Na"	46.985712
"1437380"	655.286146	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H+HCOOH"	47.012746
"235616"	636.29564	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+3H2O+2H"	56.04448
"1523489"	669.33819	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+IsoProp+H"	61.06479
"424191"	639.249588	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+Na+K"	61.952376
"785268"	943.386288	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+Na+K"	61.952376
"1681112"	335.112888	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Na+K"	61.952376
"264510"	1280.562568	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+ACN+Na"	64.015768
"1239038"	672.289168	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+ACN+Na"	64.015768
"1720269"	672.312693	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+NH4+HCOOH"	64.039293
"1185624"	225.747018	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+3Na"	68.967654
"1657704"	677.268088	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Na+HCOOH"	68.994688
"168943"	1293.46584	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+2K-H"	76.91904
"612609"	1901.73924	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+2K-H"	76.91904
"1098856"	685.19244	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2K-H"	76.91904
"156640"	647.236558	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"2M+2K"	77.926316
"594504"	951.373258	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"3M+2K"	77.926316
"1081568"	343.099858	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2K"	77.926316
"1114046"	687.206992	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2K+H"	78.933592
"1349218"	687.294607	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+DMSO+H"	79.021207
"1020779"	691.333776	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2ACN+H"	83.060376
"1539393"	692.327408	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+IsoProp+Na+H"	84.054008
"1004628"	346.170526	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+2ACN+2H"	84.067652
"1600949"	693.242028	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+K+HCOOH"	84.968628
"1423328"	723.273538	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+H+CF3COOH"	115.000138
"1155805"	366.683801	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+3ACN+2H"	125.094202
"1706449"	740.300085	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+NH4+CF3COOH"	132.026685
"1642099"	745.25548	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+Na+CF3COOH"	136.98208
"1585406"	761.22942	"C06539"	"Reserpine"	"C33H40N2O9"	"608.2734"	"M+K+CF3COOH"	152.95602
"805929"	634.289	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M"	0
"978373"	615.27061	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-H2O-H"	-19.01839
"69895"	421.852057333333	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M-3H"	-3.021828
"503988"	633.281724	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M-3H"	-3.021828
"885070"	210.422390666667	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-3H"	-3.021828
"10206"	633.281724	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M-2H"	-2.014552
"448673"	950.426224	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M-2H"	-2.014552
"823193"	316.137224	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-2H"	-2.014552
"85374"	1267.570724	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M-H"	-1.007276
"526026"	1901.859724	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M-H"	-1.007276
"901640"	633.281724	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-H"	-1.007276
"51640"	1284.597271	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M-2H+NH4"	16.019271
"499712"	1918.886271	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M-2H+NH4"	16.019271
"876301"	650.308271	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-2H+NH4"	16.019271
"43471"	1289.552666	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M-2H+Na"	20.974666
"477567"	1923.841666	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M-2H+Na"	20.974666
"853179"	655.263666	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-2H+Na"	20.974666
"1623804"	655.263666	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Na-2H"	20.974666
"97050"	651.270063	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M-H+Cl"	33.962126
"536607"	968.414563	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M-H+Cl"	33.962126
"931218"	334.125563	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-H+Cl"	33.962126
"269046"	1303.547402	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+Cl"	34.969402
"664388"	1937.836402	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+Cl"	34.969402
"1282266"	669.258402	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Cl"	34.969402
"20445"	1305.526606	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M-2H+K"	36.948606
"456071"	1939.815606	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M-2H+K"	36.948606
"842179"	671.237606	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-2H+K"	36.948606
"1559108"	671.237606	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+K-2H"	36.948606
"955739"	679.287194	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-H+HCOOH"	44.998194
"369582"	1313.576201	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+HCOOH-H"	44.998201
"348365"	1327.591851	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+Hac-H"	59.013851
"1496831"	693.302851	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Hac-H"	59.013851
"965465"	701.269151	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-H+NaCOOH"	66.980151
"114372"	669.258402	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+2Cl"	69.938804
"552839"	986.402902	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+2Cl"	69.938804
"1023824"	352.113902	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2Cl"	69.938804
"1247777"	713.207885	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Br"	78.918885
"1304390"	715.263872	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Cl+HCOOH"	80.974872
"1321160"	737.245829	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Cl+NaCOOH"	102.956829
"912703"	747.274586	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M-H+CF3COOH"	112.985586
"1294396"	783.251264	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Cl+CF3COOH"	148.962264
"1369276"	599.276324	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H-2H2O"	-35.012676
"1386778"	617.2863	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H-H2O"	-17.0027
"290838"	1269.585276	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+H"	1.007276
"684353"	1903.874276	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+H"	1.007276
"1363987"	635.296276	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H"	1.007276
"133590"	635.296276	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+2H"	2.014552
"568411"	952.440776	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+2H"	2.014552
"1038674"	318.151776	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2H"	2.014552
"209858"	423.866609333333	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+3H"	3.021828
"645772"	635.296276	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+3H"	3.021828
"1169731"	212.436942666667	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+3H"	3.021828
"430818"	1286.611823	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+NH4"	18.033823
"789630"	1920.900823	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+NH4"	18.033823
"1687049"	652.322823	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+NH4"	18.033823
"334232"	643.8095495	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+H+NH4"	19.041099
"726652"	960.9540495	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+H+NH4"	19.041099
"1481566"	326.6650495	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H+NH4"	19.041099
"399152"	1291.567218	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+Na"	22.989218
"757966"	1925.856218	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+Na"	22.989218
"1610442"	657.278218	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Na"	22.989218
"316347"	646.287247	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+H+Na"	23.996494
"711809"	963.431747	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+H+Na"	23.996494
"1465633"	329.142747	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H+Na"	23.996494
"1057784"	219.764256666667	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2H+Na"	25.00377
"1263836"	667.322486	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+CH3OH+H"	33.033486
"391161"	1307.541158	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+K"	38.963158
"749968"	1941.830158	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+K"	38.963158
"1548742"	673.252158	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+K"	38.963158
"309198"	654.274217	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+H+K"	39.970434
"703811"	971.418717	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+H+K"	39.970434
"1454349"	337.129717	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H+K"	39.970434
"241857"	1310.611826	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+ACN+H"	42.033826
"1214564"	676.322826	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+ACN+H"	42.033826
"1199546"	338.665051	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+ACN+2H"	43.041102
"200074"	1313.54916	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+2Na-H"	44.97116
"636351"	1947.83816	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+2Na-H"	44.97116
"1144975"	679.26016	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2Na-H"	44.97116
"184256"	657.278218	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+2Na"	45.978436
"623816"	974.422718	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+2Na"	45.978436
"1125135"	340.133718	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2Na"	45.978436
"1406468"	227.091570666667	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H+2Na"	46.985712
"1437489"	681.301746	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H+HCOOH"	47.012746
"234849"	662.31124	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+3H2O+2H"	56.04448
"1521815"	695.35379	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+IsoProp+H"	61.06479
"421867"	665.265188	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+Na+K"	61.952376
"783954"	982.409688	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+Na+K"	61.952376
"1679555"	348.120688	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Na+K"	61.952376
"262065"	1332.593768	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+ACN+Na"	64.015768
"1238055"	698.304768	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+ACN+Na"	64.015768
"1717099"	698.328293	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+NH4+HCOOH"	64.039293
"1185734"	234.418884666667	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+3Na"	68.967654
"1655627"	703.283688	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Na+HCOOH"	68.994688
"166867"	1345.49704	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+2K-H"	76.91904
"612514"	1979.78604	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+2K-H"	76.91904
"1097872"	711.20804	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2K-H"	76.91904
"155050"	673.252158	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"2M+2K"	77.926316
"593157"	990.396658	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"3M+2K"	77.926316
"1080584"	356.107658	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2K"	77.926316
"1112696"	713.222592	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2K+H"	78.933592
"1347624"	713.310207	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+DMSO+H"	79.021207
"1018703"	717.349376	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2ACN+H"	83.060376
"1535735"	718.343008	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+IsoProp+Na+H"	84.054008
"1004006"	359.178326	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+2ACN+2H"	84.067652
"1597779"	719.257628	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+K+HCOOH"	84.968628
"1423438"	749.289138	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+H+CF3COOH"	115.000138
"1155915"	379.691601	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+3ACN+2H"	125.094202
"1709839"	766.315685	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+NH4+CF3COOH"	132.026685
"1644396"	771.27108	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+Na+CF3COOH"	136.98208
"1585516"	787.24502	"C06540"	"Rescinnamine"	"C35H42N2O9"	"634.289"	"M+K+CF3COOH"	152.95602
"806039"	578.2628	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M"	0
"979576"	559.24441	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-H2O-H"	-19.01839
"68912"	384.501257333333	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M-3H"	-3.021828
"507378"	577.255524	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M-3H"	-3.021828
"885180"	191.746990666667	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-3H"	-3.021828
"10316"	577.255524	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M-2H"	-2.014552
"447689"	866.386924	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M-2H"	-2.014552
"823302"	288.124124	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-2H"	-2.014552
"82204"	1155.518324	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M-H"	-1.007276
"522856"	1733.781124	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M-H"	-1.007276
"902842"	577.255524	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-H"	-1.007276
"53937"	1172.544871	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M-2H+NH4"	16.019271
"498971"	1750.807671	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M-2H+NH4"	16.019271
"876774"	594.282071	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-2H+NH4"	16.019271
"44675"	1177.500266	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M-2H+Na"	20.974666
"478770"	1755.763066	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M-2H+Na"	20.974666
"854383"	599.237466	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-2H+Na"	20.974666
"1623914"	599.237466	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Na-2H"	20.974666
"98254"	595.243863	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M-H+Cl"	33.962126
"536721"	884.375263	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M-H+Cl"	33.962126
"931328"	306.112463	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-H+Cl"	33.962126
"270251"	1191.495002	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+Cl"	34.969402
"663405"	1769.757802	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+Cl"	34.969402
"1284560"	613.232202	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Cl"	34.969402
"20555"	1193.474206	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M-2H+K"	36.948606
"456344"	1771.737006	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M-2H+K"	36.948606
"847393"	615.211406	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-2H+K"	36.948606
"1565779"	615.211406	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+K-2H"	36.948606
"954756"	623.260994	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-H+HCOOH"	44.998194
"370788"	1201.523801	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+HCOOH-H"	44.998201
"351391"	1215.539451	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+Hac-H"	59.013851
"1497306"	637.276651	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Hac-H"	59.013851
"962295"	645.242951	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-H+NaCOOH"	66.980151
"114482"	613.232202	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+2Cl"	69.938804
"552949"	902.363602	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+2Cl"	69.938804
"1033775"	324.100802	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2Cl"	69.938804
"1253354"	657.181685	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Br"	78.918885
"1305597"	659.237672	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Cl+HCOOH"	80.974872
"1320906"	681.219629	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Cl+NaCOOH"	102.956829
"912692"	691.248386	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M-H+CF3COOH"	112.985586
"1294506"	727.225064	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Cl+CF3COOH"	148.962264
"1370479"	543.250124	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H-2H2O"	-35.012676
"1393815"	561.2601	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H-H2O"	-17.0027
"294233"	1157.532876	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+H"	1.007276
"687747"	1735.795676	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+H"	1.007276
"1365191"	579.270076	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H"	1.007276
"135890"	579.270076	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+2H"	2.014552
"568887"	868.401476	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+2H"	2.014552
"1046439"	290.138676	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2H"	2.014552
"208874"	386.515809333333	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+3H"	3.021828
"650621"	579.270076	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+3H"	3.021828
"1173122"	193.761542666667	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+3H"	3.021828
"432022"	1174.559423	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+NH4"	18.033823
"789740"	1752.822223	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+NH4"	18.033823
"1683515"	596.296623	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+NH4"	18.033823
"335435"	587.7833495	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+H+NH4"	19.041099
"730044"	876.9147495	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+H+NH4"	19.041099
"1481677"	298.6519495	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H+NH4"	19.041099
"397806"	1179.514818	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+Na"	22.989218
"758076"	1757.777618	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+Na"	22.989218
"1609459"	601.252018	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Na"	22.989218
"315486"	590.261047	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+H+Na"	23.996494
"713010"	879.392447	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+H+Na"	23.996494
"1463917"	301.129647	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H+Na"	23.996494
"1055707"	201.088856666667	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2H+Na"	25.00377
"1262853"	611.296286	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+CH3OH+H"	33.033486
"390907"	1195.488758	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+K"	38.963158
"746799"	1773.751558	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+K"	38.963158
"1551768"	617.225958	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+K"	38.963158
"308215"	598.248017	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+H+K"	39.970434
"701733"	887.379417	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+H+K"	39.970434
"1453365"	309.116617	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H+K"	39.970434
"241967"	1198.559426	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+ACN+H"	42.033826
"1214674"	620.296626	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+ACN+H"	42.033826
"1196375"	310.651951	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+ACN+2H"	43.041102
"197997"	1201.49676	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+2Na-H"	44.97116
"632088"	1779.75956	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+2Na-H"	44.97116
"1145693"	623.23396	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2Na-H"	44.97116
"184366"	601.252018	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+2Na"	45.978436
"625019"	890.383418	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+2Na"	45.978436
"1125245"	312.120618	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2Na"	45.978436
"1405485"	208.416170666667	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H+2Na"	46.985712
"1438692"	625.275546	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H+HCOOH"	47.012746
"235201"	606.28504	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+3H2O+2H"	56.04448
"1523017"	639.32759	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+IsoProp+H"	61.06479
"423636"	609.238988	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+Na+K"	61.952376
"784428"	898.370388	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+Na+K"	61.952376
"1677842"	320.107588	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Na+K"	61.952376
"257799"	1220.541368	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+ACN+Na"	64.015768
"1234883"	642.278568	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+ACN+Na"	64.015768
"1717209"	642.302093	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+NH4+HCOOH"	64.039293
"1185844"	215.743484666667	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+3Na"	68.967654
"1655737"	647.257488	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Na+HCOOH"	68.994688
"171349"	1233.44464	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+2K-H"	76.91904
"611287"	1811.70744	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+2K-H"	76.91904
"1096889"	655.18184	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2K-H"	76.91904
"153338"	617.225958	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"2M+2K"	77.926316
"591081"	906.357358	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"3M+2K"	77.926316
"1078143"	328.094558	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2K"	77.926316
"1110620"	657.196392	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2K+H"	78.933592
"1348095"	657.284007	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+DMSO+H"	79.021207
"1017720"	661.323176	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2ACN+H"	83.060376
"1536938"	662.316808	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+IsoProp+Na+H"	84.054008
"1003387"	331.165226	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+2ACN+2H"	84.067652
"1600075"	663.231428	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+K+HCOOH"	84.968628
"1422454"	693.262938	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+H+CF3COOH"	115.000138
"1158211"	351.678501	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+3ACN+2H"	125.094202
"1705575"	710.289485	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+NH4+CF3COOH"	132.026685
"1636851"	715.24488	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+Na+CF3COOH"	136.98208
"1585626"	731.21882	"C06541"	"Deserpidine"	"C32H38N2O8"	"578.2628"	"M+K+CF3COOH"	152.95602
"812710"	326.1994	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M"	0
"979687"	307.18101	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-H2O-H"	-19.01839
"71209"	216.458990666667	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M-3H"	-3.021828
"509676"	325.192124	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M-3H"	-3.021828
"885290"	107.725857333333	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-3H"	-3.021828
"9334"	325.192124	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H"	-2.014552
"446706"	488.291824	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H"	-2.014552
"825601"	162.092424	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-2H"	-2.014552
"88876"	651.391524	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M-H"	-1.007276
"526247"	977.590924	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M-H"	-1.007276
"899310"	325.192124	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-H"	-1.007276
"50770"	668.418071	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H+NH4"	16.019271
"500174"	994.617471	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H+NH4"	16.019271
"875791"	342.218671	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-2H+NH4"	16.019271
"42597"	673.373466	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H+Na"	20.974666
"478880"	999.572866	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H+Na"	20.974666
"854493"	347.174066	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-2H+Na"	20.974666
"1622932"	347.174066	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Na-2H"	20.974666
"97270"	343.180463	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M-H+Cl"	33.962126
"543391"	506.280163	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M-H+Cl"	33.962126
"932533"	180.080763	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-H+Cl"	33.962126
"271091"	687.368202	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+Cl"	34.969402
"666795"	1013.567602	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+Cl"	34.969402
"1280295"	361.168802	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl"	34.969402
"20666"	689.347406	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H+K"	36.948606
"460225"	1015.546806	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H+K"	36.948606
"835841"	363.148006	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-2H+K"	36.948606
"1559328"	363.148006	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+K-2H"	36.948606
"950492"	371.197594	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-H+HCOOH"	44.998194
"369803"	697.397001	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+HCOOH-H"	44.998201
"354780"	711.412651	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+Hac-H"	59.013851
"1498145"	385.213251	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Hac-H"	59.013851
"960583"	393.179551	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-H+NaCOOH"	66.980151
"113863"	361.168802	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+2Cl"	69.938804
"558526"	524.268502	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+2Cl"	69.938804
"1033885"	198.069102	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2Cl"	69.938804
"1251277"	405.118285	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Br"	78.918885
"1305708"	407.174272	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl+HCOOH"	80.974872
"1324297"	429.156229	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl+NaCOOH"	102.956829
"913532"	439.184986	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M-H+CF3COOH"	112.985586
"1295710"	475.161664	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl+CF3COOH"	148.962264
"1372776"	291.186724	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H-2H2O"	-35.012676
"1394654"	309.1967	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H-H2O"	-17.0027
"295069"	653.406076	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+H"	1.007276
"687858"	979.605476	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+H"	1.007276
"1362384"	327.206676	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H"	1.007276
"130529"	327.206676	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+2H"	2.014552
"570090"	490.306376	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+2H"	2.014552
"1043269"	164.106976	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2H"	2.014552
"216638"	218.473542666667	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+3H"	3.021828
"650731"	327.206676	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+3H"	3.021828
"1176512"	109.740409333333	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+3H"	3.021828
"429946"	670.432623	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+NH4"	18.033823
"789851"	996.632023	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+NH4"	18.033823
"1683261"	344.233223	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+NH4"	18.033823
"335546"	335.7199495	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+H+NH4"	19.041099
"729062"	498.8196495	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+H+NH4"	19.041099
"1482882"	172.6202495	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H+NH4"	19.041099
"397188"	675.388018	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+Na"	22.989218
"759279"	1001.587418	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+Na"	22.989218
"1604097"	349.188618	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Na"	22.989218
"317786"	338.197647	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+H+Na"	23.996494
"708016"	501.297347	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+H+Na"	23.996494
"1463662"	175.097947	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H+Na"	23.996494
"1056181"	117.067723333333	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2H+Na"	25.00377
"1261870"	359.232886	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+CH3OH+H"	33.033486
"390653"	691.361958	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+K"	38.963158
"753716"	1017.561358	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+K"	38.963158
"1555523"	365.162558	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+K"	38.963158
"306138"	346.184617	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+H+K"	39.970434
"701845"	509.284317	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+H+K"	39.970434
"1448009"	183.084917	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H+K"	39.970434
"238797"	694.432626	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+ACN+H"	42.033826
"1212598"	368.233226	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+ACN+H"	42.033826
"1197579"	184.620251	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+ACN+2H"	43.041102
"191545"	697.36996	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+2Na-H"	44.97116
"632198"	1023.56936	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+2Na-H"	44.97116
"1146533"	371.17056	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2Na-H"	44.97116
"186662"	349.188618	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+2Na"	45.978436
"622941"	512.288318	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+2Na"	45.978436
"1128266"	186.088918	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2Na"	45.978436
"1411791"	124.395037333333	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H+2Na"	46.985712
"1439894"	373.212146	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H+HCOOH"	47.012746
"229591"	354.22164	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+3H2O+2H"	56.04448
"1517656"	387.26419	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+IsoProp+H"	61.06479
"418434"	357.175588	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+Na+K"	61.952376
"776149"	520.275288	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+Na+K"	61.952376
"1675765"	194.075888	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Na+K"	61.952376
"259001"	716.414568	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+ACN+Na"	64.015768
"1233900"	390.215168	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+ACN+Na"	64.015768
"1721693"	390.238693	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+NH4+HCOOH"	64.039293
"1180484"	131.722351333333	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+3Na"	68.967654
"1654753"	395.194088	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Na+HCOOH"	68.994688
"171458"	729.31784	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+2K-H"	76.91904
"609209"	1055.51724	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+2K-H"	76.91904
"1097726"	403.11844	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2K-H"	76.91904
"151255"	365.162558	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"2M+2K"	77.926316
"589722"	528.262258	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"3M+2K"	77.926316
"1076422"	202.062858	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2K"	77.926316
"1101244"	405.132992	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2K+H"	78.933592
"1337989"	405.220607	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+DMSO+H"	79.021207
"1006765"	409.259776	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2ACN+H"	83.060376
"1527203"	410.253408	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+IsoProp+Na+H"	84.054008
"1001308"	205.133526	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+2ACN+2H"	84.067652
"1599092"	411.168028	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+K+HCOOH"	84.968628
"1419284"	441.199538	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+H+CF3COOH"	115.000138
"1158321"	225.646801	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+3ACN+2H"	125.094202
"1706778"	458.226085	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+NH4+CF3COOH"	132.026685
"1645709"	463.18148	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+Na+CF3COOH"	136.98208
"1585736"	479.15542	"C06542"	"Ajmaline"	"C20H26N2O2"	"326.1994"	"M+K+CF3COOH"	152.95602
"806259"	397.3345	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M"	0
"980890"	378.31611	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-H2O-H"	-19.01839
"71319"	263.882390666667	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M-3H"	-3.021828
"508692"	396.327224	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M-3H"	-3.021828
"885400"	131.437557333333	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-3H"	-3.021828
"7257"	396.327224	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M-2H"	-2.014552
"444629"	594.994474	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M-2H"	-2.014552
"825711"	197.659974	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-2H"	-2.014552
"86799"	793.661724	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M-H"	-1.007276
"525264"	1190.996224	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M-H"	-1.007276
"900878"	396.327224	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-H"	-1.007276
"52336"	810.688271	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M-2H+NH4"	16.019271
"494816"	1208.022771	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M-2H+NH4"	16.019271
"873714"	413.353771	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-2H+NH4"	16.019271
"41614"	815.643666	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M-2H+Na"	20.974666
"480082"	1212.978166	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M-2H+Na"	20.974666
"854603"	418.309166	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-2H+Na"	20.974666
"1623042"	418.309166	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Na-2H"	20.974666
"97382"	414.315563	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M-H+Cl"	33.962126
"539127"	612.982813	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M-H+Cl"	33.962126
"935923"	215.648313	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-H+Cl"	33.962126
"269376"	829.638402	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+Cl"	34.969402
"663622"	1226.972902	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+Cl"	34.969402
"1273839"	432.303902	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Cl"	34.969402
"24056"	831.617606	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M-2H+K"	36.948606
"461429"	1228.952106	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M-2H+K"	36.948606
"844698"	434.283106	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-2H+K"	36.948606
"1562718"	434.283106	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+K-2H"	36.948606
"957163"	442.332694	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-H+HCOOH"	44.998194
"373193"	839.667201	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+HCOOH-H"	44.998201
"358171"	853.682851	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+Hac-H"	59.013851
"1497890"	456.348351	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Hac-H"	59.013851
"961786"	464.314651	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-H+NaCOOH"	66.980151
"116889"	432.303902	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+2Cl"	69.938804
"565156"	630.971152	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+2Cl"	69.938804
"1033995"	233.636652	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2Cl"	69.938804
"1251387"	476.253385	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Br"	78.918885
"1307276"	478.309372	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Cl+HCOOH"	80.974872
"1322950"	500.291329	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Cl+NaCOOH"	102.956829
"913642"	510.320086	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M-H+CF3COOH"	112.985586
"1295820"	546.296764	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Cl+CF3COOH"	148.962264
"1372886"	362.321824	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H-2H2O"	-35.012676
"1396221"	380.3318	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H-H2O"	-17.0027
"295181"	795.676276	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+H"	1.007276
"687604"	1193.010776	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+H"	1.007276
"1363952"	398.341776	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H"	1.007276
"136108"	398.341776	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+2H"	2.014552
"571294"	597.009026	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+2H"	2.014552
"1045565"	199.674526	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2H"	2.014552
"214196"	265.896942666667	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+3H"	3.021828
"654121"	398.341776	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+3H"	3.021828
"1175529"	133.452109333333	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+3H"	3.021828
"436255"	812.702823	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+NH4"	18.033823
"787771"	1210.037323	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+NH4"	18.033823
"1683009"	415.368323	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+NH4"	18.033823
"332013"	406.8550495	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+H+NH4"	19.041099
"732090"	605.5222995	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+H+NH4"	19.041099
"1485179"	208.1877995	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H+NH4"	19.041099
"400579"	817.658218	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+Na"	22.989218
"760483"	1214.992718	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+Na"	22.989218
"1606394"	420.323718	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Na"	22.989218
"320809"	409.332747	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+H+Na"	23.996494
"707516"	607.999997	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+H+Na"	23.996494
"1461351"	210.665497	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H+Na"	23.996494
"1054830"	140.779423333333	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2H+Na"	25.00377
"1259058"	430.367986	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+CH3OH+H"	33.033486
"388940"	833.632158	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+K"	38.963158
"747019"	1230.966658	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+K"	38.963158
"1551624"	436.297658	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+K"	38.963158
"302968"	417.319717	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+H+K"	39.970434
"699767"	615.986967	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+H+K"	39.970434
"1449213"	218.652467	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H+K"	39.970434
"238907"	836.702826	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+ACN+H"	42.033826
"1214895"	439.368326	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+ACN+H"	42.033826
"1198049"	220.187801	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+ACN+2H"	43.041102
"190683"	839.64016	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+2Na-H"	44.97116
"634496"	1236.97466	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+2Na-H"	44.97116
"1146278"	442.30566	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2Na-H"	44.97116
"185679"	420.323718	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+2Na"	45.978436
"622687"	618.990968	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+2Na"	45.978436
"1127646"	221.656468	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2Na"	45.978436
"1410075"	148.106737333333	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H+2Na"	46.985712
"1440004"	444.347246	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H+HCOOH"	47.012746
"227512"	425.35674	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+3H2O+2H"	56.04448
"1517764"	458.39929	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+IsoProp+H"	61.06479
"417451"	428.310688	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+Na+K"	61.952376
"774073"	626.977938	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+Na+K"	61.952376
"1674779"	229.643438	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Na+K"	61.952376
"258018"	858.684768	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+ACN+Na"	64.015768
"1235103"	461.350268	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+ACN+Na"	64.015768
"1716335"	461.373793	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+NH4+HCOOH"	64.039293
"1179987"	155.434051333333	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+3Na"	68.967654
"1654863"	466.329188	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Na+HCOOH"	68.994688
"171568"	871.58804	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+2K-H"	76.91904
"611139"	1268.92254	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+2K-H"	76.91904
"1097832"	474.25354	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2K-H"	76.91904
"148085"	436.297658	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"2M+2K"	77.926316
"588739"	634.964908	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"3M+2K"	77.926316
"1075439"	237.630408	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2K"	77.926316
"1101355"	476.268092	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2K+H"	78.933592
"1337007"	476.355707	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+DMSO+H"	79.021207
"1009188"	480.394876	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2ACN+H"	83.060376
"1527313"	481.388508	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+IsoProp+Na+H"	84.054008
"993762"	240.701076	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+2ACN+2H"	84.067652
"1593734"	482.303128	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+K+HCOOH"	84.968628
"1422675"	512.334638	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+H+CF3COOH"	115.000138
"1158431"	261.214351	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+3ACN+2H"	125.094202
"1709075"	529.361185	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+NH4+CF3COOH"	132.026685
"1643632"	534.31658	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+Na+CF3COOH"	136.98208
"1585846"	550.29052	"C06543"	"Solanidine"	"C27H43NO"	"397.3345"	"M+K+CF3COOH"	152.95602
"806369"	673.3462	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M"	0
"979907"	654.32781	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-H2O-H"	-19.01839
"70336"	447.890190666667	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M-3H"	-3.021828
"506616"	672.338924	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M-3H"	-3.021828
"884417"	223.441457333333	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-3H"	-3.021828
"4087"	672.338924	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M-2H"	-2.014552
"443646"	1009.012024	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M-2H"	-2.014552
"824728"	335.665824	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-2H"	-2.014552
"83630"	1345.685124	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M-H"	-1.007276
"523188"	2019.031324	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M-H"	-1.007276
"897099"	672.338924	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-H"	-1.007276
"48195"	1362.711671	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M-2H+NH4"	16.019271
"492740"	2036.057871	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M-2H+NH4"	16.019271
"873461"	689.365471	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-2H+NH4"	16.019271
"39537"	1367.667066	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M-2H+Na"	20.974666
"480193"	2041.013266	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M-2H+Na"	20.974666
"856901"	694.320866	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-2H+Na"	20.974666
"1625339"	694.320866	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Na-2H"	20.974666
"97492"	690.327263	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M-H+Cl"	33.962126
"539238"	1027.000363	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M-H+Cl"	33.962126
"936033"	353.654163	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-H+Cl"	33.962126
"270218"	1381.661802	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+Cl"	34.969402
"663732"	2055.008002	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+Cl"	34.969402
"1277231"	708.315602	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Cl"	34.969402
"20885"	1383.641006	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M-2H+K"	36.948606
"464819"	2056.987206	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M-2H+K"	36.948606
"845902"	710.294806	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-2H+K"	36.948606
"1562828"	710.294806	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+K-2H"	36.948606
"955816"	718.344394	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-H+HCOOH"	44.998194
"372210"	1391.690601	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+HCOOH-H"	44.998201
"356093"	1405.706251	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+Hac-H"	59.013851
"1496175"	732.360051	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Hac-H"	59.013851
"962624"	740.326351	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-H+NaCOOH"	66.980151
"123560"	708.315602	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+2Cl"	69.938804
"562025"	1044.988702	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+2Cl"	69.938804
"1027544"	371.642502	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2Cl"	69.938804
"1248215"	752.265085	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Br"	78.918885
"1304833"	754.321072	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Cl+HCOOH"	80.974872
"1322693"	776.303029	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Cl+NaCOOH"	102.956829
"914845"	786.331786	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M-H+CF3COOH"	112.985586
"1294837"	822.308464	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Cl+CF3COOH"	148.962264
"1370809"	638.333524	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H-2H2O"	-35.012676
"1396331"	656.3435	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H-H2O"	-17.0027
"296749"	1347.699676	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+H"	1.007276
"690266"	2021.045876	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+H"	1.007276
"1365156"	674.353476	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H"	1.007276
"136218"	674.353476	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+2H"	2.014552
"570311"	1011.026576	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+2H"	2.014552
"1045675"	337.680376	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2H"	2.014552
"214670"	449.904742666667	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+3H"	3.021828
"654231"	674.353476	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+3H"	3.021828
"1175639"	225.456009333333	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+3H"	3.021828
"437457"	1364.726223	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+NH4"	18.033823
"786910"	2038.072423	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+NH4"	18.033823
"1686399"	691.380023	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+NH4"	18.033823
"333583"	682.8667495	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+H+NH4"	19.041099
"731471"	1019.5398495	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+H+NH4"	19.041099
"1487476"	346.1936495	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H+NH4"	19.041099
"402875"	1369.681618	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+Na"	22.989218
"762416"	2043.027818	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+Na"	22.989218
"1607597"	696.335418	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Na"	22.989218
"319826"	685.344447	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+H+Na"	23.996494
"708597"	1022.017547	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+H+Na"	23.996494
"1462297"	348.671347	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H+Na"	23.996494
"1053966"	232.783323333333	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2H+Na"	25.00377
"1259896"	706.379686	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+CH3OH+H"	33.033486
"386863"	1385.655558	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+K"	38.963158
"746034"	2059.001758	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+K"	38.963158
"1552462"	712.309358	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+K"	38.963158
"304171"	693.331417	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+H+K"	39.970434
"696598"	1030.004517	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+H+K"	39.970434
"1452602"	356.658317	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H+K"	39.970434
"239378"	1388.726226	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+ACN+H"	42.033826
"1217189"	715.380026	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+ACN+H"	42.033826
"1198887"	358.193651	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+ACN+2H"	43.041102
"191759"	1391.66356	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+2Na-H"	44.97116
"630353"	2065.00976	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+2Na-H"	44.97116
"1146841"	718.31736	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2Na-H"	44.97116
"183236"	696.335418	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+2Na"	45.978436
"622067"	1033.008518	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+2Na"	45.978436
"1126663"	359.662318	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2Na"	45.978436
"1406905"	240.110637333333	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H+2Na"	46.985712
"1439749"	720.358946	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H+HCOOH"	47.012746
"226529"	701.36844	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+3H2O+2H"	56.04448
"1513499"	734.41099	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+IsoProp+H"	61.06479
"417561"	704.322388	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+Na+K"	61.952376
"772360"	1040.995488	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+Na+K"	61.952376
"1668327"	367.649288	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Na+K"	61.952376
"257030"	1410.708168	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+ACN+Na"	64.015768
"1229744"	737.361968	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+ACN+Na"	64.015768
"1716445"	737.385493	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+NH4+HCOOH"	64.039293
"1181069"	247.437951333333	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+3Na"	68.967654
"1651690"	742.340888	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Na+HCOOH"	68.994688
"170585"	1423.61144	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+2K-H"	76.91904
"610883"	2096.95764	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+2K-H"	76.91904
"1097214"	750.26524	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2K-H"	76.91904
"148195"	712.309358	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"2M+2K"	77.926316
"588849"	1048.982458	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"3M+2K"	77.926316
"1075549"	375.636258	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2K"	77.926316
"1101100"	752.279792	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2K+H"	78.933592
"1336750"	752.367407	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+DMSO+H"	79.021207
"1009298"	756.406576	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2ACN+H"	83.060376
"1526330"	757.400208	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+IsoProp+Na+H"	84.054008
"990592"	378.706926	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+2ACN+2H"	84.067652
"1593844"	758.314828	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+K+HCOOH"	84.968628
"1422785"	788.346338	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+H+CF3COOH"	115.000138
"1156354"	399.220201	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+3ACN+2H"	125.094202
"1709185"	805.372885	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+NH4+CF3COOH"	132.026685
"1643742"	810.32828	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+Na+CF3COOH"	136.98208
"1585956"	826.30222	"C06544"	"Veratridine"	"C36H51NO11"	"673.3462"	"M+K+CF3COOH"	152.95602
"813040"	356.3191	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M"	0
"983297"	337.30071	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-H2O-H"	-19.01839
"74820"	236.538790666667	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M-3H"	-3.021828
"510006"	355.311824	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M-3H"	-3.021828
"889995"	117.765757333333	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-3H"	-3.021828
"10758"	355.311824	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M-2H"	-2.014552
"450317"	533.471374	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M-2H"	-2.014552
"822651"	177.152274	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-2H"	-2.014552
"88113"	711.630924	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M-H"	-1.007276
"525487"	1067.950024	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M-H"	-1.007276
"903287"	355.311824	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-H"	-1.007276
"55477"	728.657471	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M-2H+NH4"	16.019271
"489570"	1084.976571	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M-2H+NH4"	16.019271
"875027"	372.338371	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-2H+NH4"	16.019271
"43659"	733.612866	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M-2H+Na"	20.974666
"482856"	1089.931966	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M-2H+Na"	20.974666
"859928"	377.293766	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-2H+Na"	20.974666
"1628731"	377.293766	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Na-2H"	20.974666
"98697"	373.300163	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M-H+Cl"	33.962126
"541536"	551.459713	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M-H+Cl"	33.962126
"935050"	195.140613	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-H+Cl"	33.962126
"275796"	747.607602	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+Cl"	34.969402
"666029"	1103.926702	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+Cl"	34.969402
"1278434"	391.288502	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Cl"	34.969402
"27556"	749.586806	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M-2H+K"	36.948606
"464929"	1105.905906	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M-2H+K"	36.948606
"846377"	393.267706	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-2H+K"	36.948606
"1565125"	393.267706	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+K-2H"	36.948606
"956289"	401.317294	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-H+HCOOH"	44.998194
"374509"	757.636401	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+HCOOH-H"	44.998201
"356204"	771.652051	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+Hac-H"	59.013851
"1496287"	415.332951	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Hac-H"	59.013851
"964921"	423.299251	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-H+NaCOOH"	66.980151
"123670"	391.288502	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+2Cl"	69.938804
"562136"	569.448052	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+2Cl"	69.938804
"1027654"	213.128952	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2Cl"	69.938804
"1248325"	435.237985	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Br"	78.918885
"1305305"	437.293972	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Cl+HCOOH"	80.974872
"1321345"	459.275929	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Cl+NaCOOH"	102.956829
"915686"	469.304686	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M-H+CF3COOH"	112.985586
"1294947"	505.281364	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Cl+CF3COOH"	148.962264
"1369096"	321.306424	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H-2H2O"	-35.012676
"1397903"	339.3164	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H-H2O"	-17.0027
"297955"	713.645476	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+H"	1.007276
"689282"	1069.964576	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+H"	1.007276
"1365995"	357.326376	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H"	1.007276
"135234"	357.326376	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+2H"	2.014552
"569329"	535.485926	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+2H"	2.014552
"1049068"	179.166826	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2H"	2.014552
"211502"	238.553342666667	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+3H"	3.021828
"655072"	357.326376	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+3H"	3.021828
"1177089"	119.780309333333	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+3H"	3.021828
"437567"	730.672023	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+NH4"	18.033823
"786166"	1086.991123	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+NH4"	18.033823
"1682500"	374.352923	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+NH4"	18.033823
"335878"	365.8396495	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+H+NH4"	19.041099
"728302"	543.9991995	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+H+NH4"	19.041099
"1486495"	187.6800995	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H+NH4"	19.041099
"401894"	735.627418	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+Na"	22.989218
"759610"	1091.946518	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+Na"	22.989218
"1605886"	379.308318	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Na"	22.989218
"316050"	368.317347	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+H+Na"	23.996494
"711264"	546.476897	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+H+Na"	23.996494
"1463264"	190.157797	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H+Na"	23.996494
"1057604"	127.107623333333	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2H+Na"	25.00377
"1260011"	389.352586	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+CH3OH+H"	33.033486
"386244"	751.601358	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+K"	38.963158
"745050"	1107.920458	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+K"	38.963158
"1549292"	395.282258	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+K"	38.963158
"303188"	376.304317	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+H+K"	39.970434
"699988"	554.463867	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+H+K"	39.970434
"1447975"	198.144767	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H+K"	39.970434
"236329"	754.672026	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+ACN+H"	42.033826
"1209918"	398.352926	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+ACN+H"	42.033826
"1197178"	199.680101	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+ACN+2H"	43.041102
"189687"	757.60936	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+2Na-H"	44.97116
"630706"	1113.92846	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+2Na-H"	44.97116
"1146829"	401.29026	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2Na-H"	44.97116
"182617"	379.308318	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+2Na"	45.978436
"621084"	557.467868	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+2Na"	45.978436
"1124587"	201.148768	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2Na"	45.978436
"1412121"	134.434937333333	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H+2Na"	46.985712
"1440225"	403.331846	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H+HCOOH"	47.012746
"232107"	384.34134	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+3H2O+2H"	56.04448
"1519077"	417.38389	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+IsoProp+H"	61.06479
"421317"	387.295288	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+Na+K"	61.952376
"777575"	565.454838	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+Na+K"	61.952376
"1669532"	209.135738	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Na+K"	61.952376
"258237"	776.653968	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+ACN+Na"	64.015768
"1233134"	420.334868	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+ACN+Na"	64.015768
"1717646"	420.358393	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+NH4+HCOOH"	64.039293
"1181180"	141.762251333333	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+3Na"	68.967654
"1655083"	425.313788	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Na+HCOOH"	68.994688
"171068"	789.55724	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+2K-H"	76.91904
"609538"	1145.87634	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+2K-H"	76.91904
"1098055"	433.23814	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2K-H"	76.91904
"153775"	395.282258	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"2M+2K"	77.926316
"590053"	573.441808	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"3M+2K"	77.926316
"1076752"	217.122708	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2K"	77.926316
"1105587"	435.252692	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2K+H"	78.933592
"1341973"	435.340307	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+DMSO+H"	79.021207
"1012689"	439.379476	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2ACN+H"	83.060376
"1536283"	440.373108	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+IsoProp+Na+H"	84.054008
"1002731"	220.193376	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+2ACN+2H"	84.067652
"1601611"	441.287728	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+K+HCOOH"	84.968628
"1429581"	471.319238	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+H+CF3COOH"	115.000138
"1161932"	240.706651	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+3ACN+2H"	125.094202
"1712576"	488.345785	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+NH4+CF3COOH"	132.026685
"1643852"	493.30118	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+Na+CF3COOH"	136.98208
"1586066"	509.27512	"C06545"	"Conessine;Wrightine"	"C24H40N2"	"356.3191"	"M+K+CF3COOH"	152.95602
"806589"	211.1208	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M"	0
"980127"	192.10241	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-H2O-H"	-19.01839
"74929"	139.739924	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M-3H"	-3.021828
"509023"	210.113524	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M-3H"	-3.021828
"884637"	69.366324	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-3H"	-3.021828
"10868"	210.113524	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M-2H"	-2.014552
"447146"	315.673924	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M-2H"	-2.014552
"821668"	104.553124	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-2H"	-2.014552
"89317"	421.234324	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M-H"	-1.007276
"526690"	632.355124	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M-H"	-1.007276
"903397"	210.113524	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-H"	-1.007276
"55587"	438.260871	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M-2H+NH4"	16.019271
"490773"	649.381671	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M-2H+NH4"	16.019271
"875137"	227.140071	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-2H+NH4"	16.019271
"44500"	443.216266	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M-2H+Na"	20.974666
"484788"	654.337066	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M-2H+Na"	20.974666
"861133"	232.095466	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-2H+Na"	20.974666
"1632120"	232.095466	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Na-2H"	20.974666
"102087"	228.101863	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M-H+Cl"	33.962126
"543833"	333.662263	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M-H+Cl"	33.962126
"935160"	122.541463	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-H+Cl"	33.962126
"279186"	457.211002	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+Cl"	34.969402
"669419"	668.331802	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+Cl"	34.969402
"1279638"	246.090202	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Cl"	34.969402
"26209"	459.190206	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M-2H+K"	36.948606
"465039"	670.311006	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M-2H+K"	36.948606
"846121"	248.069406	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-2H+K"	36.948606
"1563048"	248.069406	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+K-2H"	36.948606
"957491"	256.118994	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-H+HCOOH"	44.998194
"374255"	467.239801	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+HCOOH-H"	44.998201
"359474"	481.255451	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+Hac-H"	59.013851
"1497491"	270.134651	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Hac-H"	59.013851
"966125"	278.100951	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-H+NaCOOH"	66.980151
"123780"	246.090202	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+2Cl"	69.938804
"563339"	351.650602	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+2Cl"	69.938804
"1028128"	140.529802	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2Cl"	69.938804
"1248435"	290.039685	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Br"	78.918885
"1305173"	292.095672	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Cl+HCOOH"	80.974872
"1320726"	314.077629	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Cl+NaCOOH"	102.956829
"916525"	324.106386	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M-H+CF3COOH"	112.985586
"1289222"	360.083064	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Cl+CF3COOH"	148.962264
"1369206"	176.108124	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H-2H2O"	-35.012676
"1388527"	194.1181	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H-H2O"	-17.0027
"287121"	423.248876	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+H"	1.007276
"689756"	634.369676	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+H"	1.007276
"1365010"	212.128076	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H"	1.007276
"134251"	212.128076	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+2H"	2.014552
"569439"	317.688476	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+2H"	2.014552
"1049178"	106.567676	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2H"	2.014552
"212705"	141.754476	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+3H"	3.021828
"653359"	212.128076	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+3H"	3.021828
"1176590"	71.380876	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+3H"	3.021828
"437922"	440.275423	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+NH4"	18.033823
"786034"	651.396223	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+NH4"	18.033823
"1684435"	229.154623	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+NH4"	18.033823
"334897"	220.6413495	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+H+NH4"	19.041099
"727319"	326.2017495	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+H+NH4"	19.041099
"1490979"	115.0809495	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H+NH4"	19.041099
"402004"	445.230818	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+Na"	22.989218
"763000"	656.351618	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+Na"	22.989218
"1604903"	234.110018	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Na"	22.989218
"317498"	223.119047	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+H+Na"	23.996494
"710647"	328.679447	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+H+Na"	23.996494
"1464468"	117.558647	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H+Na"	23.996494
"1057350"	78.70819	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2H+Na"	25.00377
"1259392"	244.154286	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+CH3OH+H"	33.033486
"385260"	461.204758	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+K"	38.963158
"744067"	672.325558	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+K"	38.963158
"1549402"	250.083958	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+K"	38.963158
"302205"	231.106017	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+H+K"	39.970434
"702284"	336.666417	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+H+K"	39.970434
"1453917"	125.545617	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H+K"	39.970434
"238146"	464.275426	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+ACN+H"	42.033826
"1211947"	253.154626	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+ACN+H"	42.033826
"1199110"	127.080951	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+ACN+2H"	43.041102
"189026"	467.21276	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+2Na-H"	44.97116
"632638"	678.33356	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+2Na-H"	44.97116
"1146736"	256.09196	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2Na-H"	44.97116
"187350"	234.110018	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+2Na"	45.978436
"624477"	339.670418	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+2Na"	45.978436
"1125064"	128.549618	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2Na"	45.978436
"1409680"	86.035504	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H+2Na"	46.985712
"1444226"	258.133546	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H+HCOOH"	47.012746
"229668"	239.14304	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+3H2O+2H"	56.04448
"1514815"	272.18559	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+H"	61.06479
"421063"	242.096988	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+Na+K"	61.952376
"782059"	347.657388	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+Na+K"	61.952376
"1670736"	136.536588	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Na+K"	61.952376
"252881"	486.257368	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+ACN+Na"	64.015768
"1227777"	275.136568	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+ACN+Na"	64.015768
"1716664"	275.160093	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+NH4+HCOOH"	64.039293
"1182019"	93.362818	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+3Na"	68.967654
"1661754"	280.115488	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Na+HCOOH"	68.994688
"170444"	499.16064	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+2K-H"	76.91904
"610740"	710.28144	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+2K-H"	76.91904
"1098164"	288.03984	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2K-H"	76.91904
"152426"	250.083958	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"2M+2K"	77.926316
"592350"	355.644358	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"3M+2K"	77.926316
"1081237"	144.523558	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2K"	77.926316
"1104604"	290.054392	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2K+H"	78.933592
"1345363"	290.142007	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+DMSO+H"	79.021207
"1010612"	294.181176	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2ACN+H"	83.060376
"1535300"	295.174808	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+Na+H"	84.054008
"997374"	147.594226	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+2ACN+2H"	84.067652
"1601721"	296.089428	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+K+HCOOH"	84.968628
"1429208"	326.120938	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+H+CF3COOH"	115.000138
"1161314"	168.107501	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+3ACN+2H"	125.094202
"1712606"	343.147485	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+NH4+CF3COOH"	132.026685
"1643962"	348.10288	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+Na+CF3COOH"	136.98208
"1586176"	364.07682	"C06546"	"Mescaline"	"C11H17NO3"	"211.1208"	"M+K+CF3COOH"	152.95602
"806699"	28.0313	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M"	0
"981330"	9.01291	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-H2O-H"	-19.01839
"75039"	17.6802573333333	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M-3H"	-3.021828
"510227"	27.024024	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M-3H"	-3.021828
"885840"	8.33649066666667	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-3H"	-3.021828
"10978"	27.024024	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M-2H"	-2.014552
"446163"	41.039674	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M-2H"	-2.014552
"823964"	13.008374	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-2H"	-2.014552
"88333"	55.055324	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M-H"	-1.007276
"526797"	83.086624	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M-H"	-1.007276
"901318"	27.024024	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-H"	-1.007276
"56790"	72.081871	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M-2H+NH4"	16.019271
"491976"	100.113171	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M-2H+NH4"	16.019271
"875247"	44.050571	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-2H+NH4"	16.019271
"44975"	77.037266	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M-2H+Na"	20.974666
"486233"	105.068566	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M-2H+Na"	20.974666
"863833"	49.005966	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-2H+Na"	20.974666
"1631137"	49.005966	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Na-2H"	20.974666
"102197"	45.012363	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M-H+Cl"	33.962126
"543943"	59.028013	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M-H+Cl"	33.962126
"933083"	30.996713	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-H+Cl"	33.962126
"280389"	91.032002	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+Cl"	34.969402
"667342"	119.063302	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+Cl"	34.969402
"1280841"	63.000702	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Cl"	34.969402
"26683"	93.011206	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M-2H+K"	36.948606
"467336"	121.042506	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M-2H+K"	36.948606
"842951"	64.979906	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-2H+K"	36.948606
"1564251"	64.979906	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+K-2H"	36.948606
"956144"	73.029494	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-H+HCOOH"	44.998194
"370352"	101.060801	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+HCOOH-H"	44.998201
"359586"	115.076451	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+Hac-H"	59.013851
"1499788"	87.045151	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Hac-H"	59.013851
"967328"	95.011451	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-H+NaCOOH"	66.980151
"121702"	63.000702	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+2Cl"	69.938804
"561262"	77.016352	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+2Cl"	69.938804
"1027874"	48.985052	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2Cl"	69.938804
"1248545"	106.950185	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Br"	78.918885
"1307350"	109.006172	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Cl+HCOOH"	80.974872
"1322659"	130.988129	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Cl+NaCOOH"	102.956829
"916635"	141.016886	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M-H+CF3COOH"	112.985586
"1289210"	176.993564	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Cl+CF3COOH"	148.962264
"1368223"	-6.981376	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H-2H2O"	-35.012676
"1389730"	11.0286	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H-H2O"	-17.0027
"289417"	57.069876	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+H"	1.007276
"686581"	85.101176	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+H"	1.007276
"1365486"	29.038576	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H"	1.007276
"135091"	29.038576	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+2H"	2.014552
"569549"	43.054226	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+2H"	2.014552
"1048196"	15.022926	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2H"	2.014552
"214273"	19.6948093333333	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+3H"	3.021828
"654562"	29.038576	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+3H"	3.021828
"1176699"	10.3510426666667	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+3H"	3.021828
"438152"	74.096423	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+NH4"	18.033823
"787120"	102.127723	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+NH4"	18.033823
"1684544"	46.065123	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+NH4"	18.033823
"333916"	37.5518495	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+H+NH4"	19.041099
"729615"	51.5674995	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+H+NH4"	19.041099
"1489996"	23.5361995	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H+NH4"	19.041099
"402114"	79.051818	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+Na"	22.989218
"760924"	107.083118	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+Na"	22.989218
"1605742"	51.020518	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Na"	22.989218
"315292"	40.029547	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+H+Na"	23.996494
"712214"	54.045197	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+H+Na"	23.996494
"1466399"	26.013897	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H+Na"	23.996494
"1058552"	17.6783566666667	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2H+Na"	25.00377
"1262417"	61.064786	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+CH3OH+H"	33.033486
"383184"	95.025758	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+K"	38.963158
"743083"	123.057058	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+K"	38.963158
"1544044"	66.994458	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+K"	38.963158
"302315"	48.016517	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+H+K"	39.970434
"705310"	62.032167	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+H+K"	39.970434
"1455120"	34.000867	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H+K"	39.970434
"240443"	98.096426	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+ACN+H"	42.033826
"1215336"	70.065126	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+ACN+H"	42.033826
"1202499"	35.536201	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+ACN+2H"	43.041102
"196465"	101.03376	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+2Na-H"	44.97116
"636027"	129.06506	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+2Na-H"	44.97116
"1141726"	73.00246	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2Na-H"	44.97116
"186845"	51.020518	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+2Na"	45.978436
"626404"	65.036168	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+2Na"	45.978436
"1130767"	37.004868	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2Na"	45.978436
"1408331"	25.0056706666667	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H+2Na"	46.985712
"1444336"	75.044046	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H+HCOOH"	47.012746
"227956"	56.05354	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+3H2O+2H"	56.04448
"1514925"	89.09609	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+IsoProp+H"	61.06479
"419715"	59.007488	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+Na+K"	61.952376
"778890"	73.023138	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+Na+K"	61.952376
"1670846"	44.991838	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Na+K"	61.952376
"253112"	120.078368	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+ACN+Na"	64.015768
"1226063"	92.047068	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+ACN+Na"	64.015768
"1715681"	92.070593	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+NH4+HCOOH"	64.039293
"1178805"	32.3329846666667	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+3Na"	68.967654
"1655303"	97.025988	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Na+HCOOH"	68.994688
"170189"	132.98164	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+2K-H"	76.91904
"610121"	161.01294	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+2K-H"	76.91904
"1097546"	104.95034	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2K-H"	76.91904
"151806"	66.994458	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"2M+2K"	77.926316
"592460"	81.010108	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"3M+2K"	77.926316
"1080254"	52.978808	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2K"	77.926316
"1104714"	106.964892	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2K+H"	78.933592
"1343287"	107.052507	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+DMSO+H"	79.021207
"1010722"	111.091676	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2ACN+H"	83.060376
"1535410"	112.085308	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+IsoProp+Na+H"	84.054008
"997484"	56.049476	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+2ACN+2H"	84.067652
"1599643"	112.999928	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+K+HCOOH"	84.968628
"1428950"	143.031438	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+H+CF3COOH"	115.000138
"1161059"	76.562751	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+3ACN+2H"	125.094202
"1710610"	160.057985	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+NH4+CF3COOH"	132.026685
"1642979"	165.01338	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+Na+CF3COOH"	136.98208
"1586286"	180.98732	"C06547"	"Ethylene"	"C2H4"	"28.0313"	"M+K+CF3COOH"	152.95602
"807902"	44.0262	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M"	0
"983626"	25.00781	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-H2O-H"	-19.01839
"75149"	28.343524	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M-3H"	-3.021828
"512523"	43.018924	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M-3H"	-3.021828
"887043"	13.668124	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-3H"	-3.021828
"8901"	43.018924	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M-2H"	-2.014552
"448458"	65.032024	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M-2H"	-2.014552
"827353"	21.005824	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-2H"	-2.014552
"89536"	87.045124	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M-H"	-1.007276
"528000"	131.071324	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M-H"	-1.007276
"903612"	43.018924	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-H"	-1.007276
"56899"	104.071671	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M-2H+NH4"	16.019271
"492086"	148.097871	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M-2H+NH4"	16.019271
"876450"	60.045471	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-2H+NH4"	16.019271
"45446"	109.027066	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M-2H+Na"	20.974666
"485980"	153.053266	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M-2H+Na"	20.974666
"863376"	65.000866	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-2H+Na"	20.974666
"1632340"	65.000866	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Na-2H"	20.974666
"99027"	61.007263	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M-H+Cl"	33.962126
"546239"	83.020363	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M-H+Cl"	33.962126
"933193"	38.994163	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-H+Cl"	33.962126
"270657"	123.021802	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+Cl"	34.969402
"667452"	167.048002	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+Cl"	34.969402
"1283137"	78.995602	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Cl"	34.969402
"27881"	125.001006	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M-2H+K"	36.948606
"466347"	169.027206	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M-2H+K"	36.948606
"841964"	80.974806	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-2H+K"	36.948606
"1564361"	80.974806	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+K-2H"	36.948606
"955890"	89.024394	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-H+HCOOH"	44.998194
"370462"	133.050601	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+HCOOH-H"	44.998201
"359452"	147.066251	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+Hac-H"	59.013851
"1499898"	103.040051	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Hac-H"	59.013851
"968531"	111.006351	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-H+NaCOOH"	66.980151
"121812"	78.995602	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+2Cl"	69.938804
"561372"	101.008702	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+2Cl"	69.938804
"1031264"	56.982502	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2Cl"	69.938804
"1250842"	122.945085	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Br"	78.918885
"1305271"	125.001072	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Cl+HCOOH"	80.974872
"1322769"	146.983029	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Cl+NaCOOH"	102.956829
"911557"	157.011786	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M-H+CF3COOH"	112.985586
"1288630"	192.988464	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Cl+CF3COOH"	148.962264
"1368333"	9.013524	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H-2H2O"	-35.012676
"1386924"	27.0235	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H-H2O"	-17.0027
"287340"	89.059676	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+H"	1.007276
"686691"	133.085876	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+H"	1.007276
"1365596"	45.033476	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H"	1.007276
"130461"	45.033476	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+2H"	2.014552
"572939"	67.046576	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+2H"	2.014552
"1042102"	23.020376	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2H"	2.014552
"214747"	30.358076	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+3H"	3.021828
"651391"	45.033476	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+3H"	3.021828
"1177173"	15.682676	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+3H"	3.021828
"438626"	106.086223	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+NH4"	18.033823
"788324"	150.112423	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+NH4"	18.033823
"1685747"	62.060023	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+NH4"	18.033823
"337305"	53.5467495	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+H+NH4"	19.041099
"731911"	75.5598495	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+H+NH4"	19.041099
"1489013"	31.5336495	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H+NH4"	19.041099
"401131"	111.041618	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+Na"	22.989218
"758847"	155.067818	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+Na"	22.989218
"1608039"	67.015418	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Na"	22.989218
"316983"	56.024447	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+H+Na"	23.996494
"711595"	78.037547	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+H+Na"	23.996494
"1466509"	34.011347	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H+Na"	23.996494
"1061941"	23.00999	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2H+Na"	25.00377
"1263619"	77.059686	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+CH3OH+H"	33.033486
"383294"	127.015558	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+K"	38.963158
"744286"	171.041758	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+K"	38.963158
"1544153"	82.989358	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+K"	38.963158
"304611"	64.011417	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+H+K"	39.970434
"704691"	86.024517	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+H+K"	39.970434
"1454137"	41.998317	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H+K"	39.970434
"241646"	130.086226	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+ACN+H"	42.033826
"1216539"	86.060026	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+ACN+H"	42.033826
"1200423"	43.533651	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+ACN+2H"	43.041102
"195483"	133.02356	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+2Na-H"	44.97116
"637230"	177.04976	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+2Na-H"	44.97116
"1139650"	88.99736	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2Na-H"	44.97116
"186221"	67.015418	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+2Na"	45.978436
"623595"	89.028518	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+2Na"	45.978436
"1129655"	45.002318	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2Na"	45.978436
"1413670"	30.337304	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H+2Na"	46.985712
"1441652"	91.038946	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H+HCOOH"	47.012746
"228065"	72.04844	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+3H2O+2H"	56.04448
"1515034"	105.09099	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+IsoProp+H"	61.06479
"419095"	75.002388	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+Na+K"	61.952376
"780824"	97.015488	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+Na+K"	61.952376
"1669863"	52.989288	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Na+K"	61.952376
"256381"	152.068168	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+ACN+Na"	64.015768
"1227995"	108.041968	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+ACN+Na"	64.015768
"1713966"	108.065493	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+NH4+HCOOH"	64.039293
"1179443"	37.664618	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+3Na"	68.967654
"1661974"	113.020888	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Na+HCOOH"	68.994688
"170299"	164.97144	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+2K-H"	76.91904
"610958"	208.99764	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+2K-H"	76.91904
"1096562"	120.94524	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2K-H"	76.91904
"152646"	82.989358	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"2M+2K"	77.926316
"591477"	105.002458	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"3M+2K"	77.926316
"1079271"	60.976258	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2K"	77.926316
"1108104"	122.959792	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2K+H"	78.933592
"1341211"	123.047407	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+DMSO+H"	79.021207
"1013019"	127.086576	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2ACN+H"	83.060376
"1533334"	128.080208	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+IsoProp+Na+H"	84.054008
"1001970"	64.046926	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+2ACN+2H"	84.067652
"1599754"	128.994828	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+K+HCOOH"	84.968628
"1428695"	159.026338	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+H+CF3COOH"	115.000138
"1161169"	84.560201	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+3ACN+2H"	125.094202
"1710720"	176.052885	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+NH4+CF3COOH"	132.026685
"1643089"	181.00828	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+Na+CF3COOH"	136.98208
"1586396"	196.98222	"C06548"	"Ethylene oxide"	"C2H4O"	"44.0262"	"M+K+CF3COOH"	152.95602
"806919"	183.9353	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M"	0
"980456"	164.91691	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-H2O-H"	-19.01839
"73072"	121.616257333333	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M-3H"	-3.021828
"513726"	182.928024	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M-3H"	-3.021828
"887153"	60.3044906666667	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-3H"	-3.021828
"9011"	182.928024	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M-2H"	-2.014552
"448568"	274.895674	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M-2H"	-2.014552
"826370"	90.960374	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-2H"	-2.014552
"89282"	366.863324	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M-H"	-1.007276
"524831"	550.798624	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M-H"	-1.007276
"901536"	182.928024	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-H"	-1.007276
"53728"	383.889871	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M-2H+NH4"	16.019271
"492196"	567.825171	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M-2H+NH4"	16.019271
"877289"	199.954571	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-2H+NH4"	16.019271
"45192"	388.845266	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M-2H+Na"	20.974666
"486211"	572.780566	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M-2H+Na"	20.974666
"863284"	204.909966	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-2H+Na"	20.974666
"1629170"	204.909966	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Na-2H"	20.974666
"99136"	200.916363	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M-H+Cl"	33.962126
"543069"	292.884013	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M-H+Cl"	33.962126
"936583"	108.948713	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-H+Cl"	33.962126
"274047"	402.840002	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+Cl"	34.969402
"664282"	586.775302	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+Cl"	34.969402
"1283247"	218.904702	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Cl"	34.969402
"26897"	404.819206	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M-2H+K"	36.948606
"464271"	588.754506	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M-2H+K"	36.948606
"842074"	220.883906	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-2H+K"	36.948606
"1564471"	220.883906	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+K-2H"	36.948606
"950166"	228.933494	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-H+HCOOH"	44.998194
"373488"	412.868801	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+HCOOH-H"	44.998201
"355548"	426.884451	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+Hac-H"	59.013851
"1496361"	242.949151	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Hac-H"	59.013851
"964632"	250.915451	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-H+NaCOOH"	66.980151
"114632"	218.904702	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+2Cl"	69.938804
"554192"	310.872352	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+2Cl"	69.938804
"1031374"	126.937052	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2Cl"	69.938804
"1248765"	262.854185	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Br"	78.918885
"1305383"	264.910172	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Cl+HCOOH"	80.974872
"1320692"	286.892129	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Cl+NaCOOH"	102.956829
"912115"	296.920886	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M-H+CF3COOH"	112.985586
"1289426"	332.897564	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Cl+CF3COOH"	148.962264
"1367953"	148.922624	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H-2H2O"	-35.012676
"1385211"	166.9326	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H-H2O"	-17.0027
"285262"	368.877876	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+H"	1.007276
"686436"	552.813176	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+H"	1.007276
"1363883"	184.942576	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H"	1.007276
"129114"	184.942576	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+2H"	2.014552
"573049"	276.910226	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+2H"	2.014552
"1046952"	92.974926	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2H"	2.014552
"214128"	123.630809333333	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+3H"	3.021828
"651501"	184.942576	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+3H"	3.021828
"1174731"	62.3190426666667	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+3H"	3.021828
"433994"	385.904423	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+NH4"	18.033823
"788434"	569.839723	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+NH4"	18.033823
"1688043"	201.969123	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+NH4"	18.033823
"337414"	193.4558495	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+H+NH4"	19.041099
"730928"	285.4234995	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+H+NH4"	19.041099
"1485842"	101.4881995	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H+NH4"	19.041099
"402335"	390.859818	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+Na"	22.989218
"761142"	574.795118	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+Na"	22.989218
"1611428"	206.924518	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Na"	22.989218
"318185"	195.933547	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+H+Na"	23.996494
"710611"	287.901197	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+H+Na"	23.996494
"1466619"	103.965897	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H+Na"	23.996494
"1056583"	69.6463566666667	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2H+Na"	25.00377
"1263729"	216.968786	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+CH3OH+H"	33.033486
"384497"	406.833758	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+K"	38.963158
"744396"	590.769058	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+K"	38.963158
"1546449"	222.898458	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+K"	38.963158
"306907"	203.920517	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+H+K"	39.970434
"699333"	295.888167	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+H+K"	39.970434
"1454245"	111.952867	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H+K"	39.970434
"243942"	409.904426	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+ACN+H"	42.033826
"1214462"	225.969126	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+ACN+H"	42.033826
"1199439"	113.488201	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+ACN+2H"	43.041102
"197779"	412.84176	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+2Na-H"	44.97116
"631872"	596.77706	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+2Na-H"	44.97116
"1141582"	228.90646	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2Na-H"	44.97116
"185967"	206.924518	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+2Na"	45.978436
"620424"	298.892168	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+2Na"	45.978436
"1130659"	114.956868	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2Na"	45.978436
"1414152"	76.9736706666667	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H+2Na"	46.985712
"1439574"	230.948046	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H+HCOOH"	47.012746
"225989"	211.95754	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+3H2O+2H"	56.04448
"1515144"	245.00009	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+IsoProp+H"	61.06479
"418112"	214.911488	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+Na+K"	61.952376
"782756"	306.879138	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+Na+K"	61.952376
"1671067"	122.943838	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Na+K"	61.952376
"256491"	431.886368	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+ACN+Na"	64.015768
"1230291"	247.951068	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+ACN+Na"	64.015768
"1715898"	247.974593	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+NH4+HCOOH"	64.039293
"1182347"	84.3009846666667	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+3Na"	68.967654
"1662084"	252.929988	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Na+HCOOH"	68.994688
"170776"	444.78964	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+2K-H"	76.91904
"611060"	628.72494	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+2K-H"	76.91904
"1096303"	260.85434	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2K-H"	76.91904
"145464"	222.898458	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"2M+2K"	77.926316
"589399"	314.866108	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"3M+2K"	77.926316
"1076099"	130.930808	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2K"	77.926316
"1108214"	262.868892	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2K+H"	78.933592
"1339131"	262.956507	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+DMSO+H"	79.021207
"1015316"	266.995676	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2ACN+H"	83.060376
"1534537"	267.989308	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+IsoProp+Na+H"	84.054008
"1002446"	134.001476	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+2ACN+2H"	84.067652
"1600957"	268.903928	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+K+HCOOH"	84.968628
"1428805"	298.935438	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+H+CF3COOH"	115.000138
"1161279"	154.514751	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+3ACN+2H"	125.094202
"1709737"	315.961985	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+NH4+CF3COOH"	132.026685
"1643199"	320.91738	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+Na+CF3COOH"	136.98208
"1586506"	336.89132	"C06550"	"Arsonoacetate"	"C2H5AsO5"	"183.9353"	"M+K+CF3COOH"	152.95602
"807029"	215.0938	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M"	0
"983846"	196.07541	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-H2O-H"	-19.01839
"72089"	142.388590666667	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M-3H"	-3.021828
"511650"	214.086524	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M-3H"	-3.021828
"885077"	70.6906573333333	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-3H"	-3.021828
"5841"	214.086524	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M-2H"	-2.014552
"445399"	321.633424	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M-2H"	-2.014552
"823200"	106.539624	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-2H"	-2.014552
"85383"	429.180324	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M-H"	-1.007276
"521661"	644.274124	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M-H"	-1.007276
"901646"	214.086524	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-H"	-1.007276
"50556"	446.206871	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M-2H+NH4"	16.019271
"491213"	661.300671	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M-2H+NH4"	16.019271
"874483"	231.113071	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-2H+NH4"	16.019271
"42385"	451.162266	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M-2H+Na"	20.974666
"482675"	666.256066	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M-2H+Na"	20.974666
"860839"	236.068466	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-2H+Na"	20.974666
"1625997"	236.068466	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Na-2H"	20.974666
"101432"	232.074863	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M-H+Cl"	33.962126
"542086"	339.621763	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M-H+Cl"	33.962126
"933413"	124.527963	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-H+Cl"	33.962126
"270877"	465.157002	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+Cl"	34.969402
"664393"	680.250802	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+Cl"	34.969402
"1277889"	250.063202	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Cl"	34.969402
"17164"	467.136206	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M-2H+K"	36.948606
"464381"	682.230006	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M-2H+K"	36.948606
"845100"	252.042406	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-2H+K"	36.948606
"1562759"	252.042406	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+K-2H"	36.948606
"947361"	260.091994	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-H+HCOOH"	44.998194
"367766"	475.185801	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+HCOOH-H"	44.998201
"355658"	489.201451	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+Hac-H"	59.013851
"1493312"	274.107651	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Hac-H"	59.013851
"961461"	282.073951	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-H+NaCOOH"	66.980151
"116930"	250.063202	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+2Cl"	69.938804
"558312"	357.610102	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+2Cl"	69.938804
"1030391"	142.516302	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2Cl"	69.938804
"1247782"	294.012685	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Br"	78.918885
"1307314"	296.068672	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Cl+HCOOH"	80.974872
"1323718"	318.050629	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Cl+NaCOOH"	102.956829
"913319"	328.079386	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M-H+CF3COOH"	112.985586
"1292576"	364.056064	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Cl+CF3COOH"	148.962264
"1368552"	180.081124	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H-2H2O"	-35.012676
"1384957"	198.0911	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H-H2O"	-17.0027
"286467"	431.194876	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+H"	1.007276
"682172"	646.288676	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+H"	1.007276
"1361805"	216.101076	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H"	1.007276
"128131"	216.101076	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+2H"	2.014552
"576075"	323.647976	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+2H"	2.014552
"1045238"	108.554176	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2H"	2.014552
"214238"	144.403142666667	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+3H"	3.021828
"651611"	216.101076	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+3H"	3.021828
"1171925"	72.7052093333333	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+3H"	3.021828
"435927"	448.221423	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+NH4"	18.033823
"790730"	663.315223	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+NH4"	18.033823
"1687061"	233.127623	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+NH4"	18.033823
"338617"	224.6143495	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+H+NH4"	19.041099
"731036"	332.1612495	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+H+NH4"	19.041099
"1482671"	117.0674495	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H+NH4"	19.041099
"398070"	453.176818	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+Na"	22.989218
"760159"	668.270618	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+Na"	22.989218
"1606072"	238.083018	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Na"	22.989218
"315381"	227.092047	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+H+Na"	23.996494
"710722"	334.638947	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+H+Na"	23.996494
"1466729"	119.545147	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H+Na"	23.996494
"1055600"	80.0325233333333	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2H+Na"	25.00377
"1262746"	248.127286	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+CH3OH+H"	33.033486
"382420"	469.150758	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+K"	38.963158
"744506"	684.244558	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+K"	38.963158
"1545466"	254.056958	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+K"	38.963158
"304831"	235.079017	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+H+K"	39.970434
"697255"	342.625917	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+H+K"	39.970434
"1449982"	127.532117	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H+K"	39.970434
"239677"	472.221426	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+ACN+H"	42.033826
"1213477"	257.127626	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+ACN+H"	42.033826
"1197362"	129.067451	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+ACN+2H"	43.041102
"195702"	475.15876	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+2Na-H"	44.97116
"629795"	690.25256	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+2Na-H"	44.97116
"1137676"	260.06496	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2Na-H"	44.97116
"184980"	238.083018	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+2Na"	45.978436
"619441"	345.629918	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+2Na"	45.978436
"1118937"	130.536118	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2Na"	45.978436
"1404285"	87.3598373333333	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H+2Na"	46.985712
"1439684"	262.106546	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H+HCOOH"	47.012746
"226099"	243.11604	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+3H2O+2H"	56.04448
"1515254"	276.15859	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+IsoProp+H"	61.06479
"414942"	246.069988	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+Na+K"	61.952376
"781772"	353.616888	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+Na+K"	61.952376
"1670084"	138.523088	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Na+K"	61.952376
"254416"	494.203368	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+ACN+Na"	64.015768
"1226392"	279.109568	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+ACN+Na"	64.015768
"1716007"	279.133093	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+NH4+HCOOH"	64.039293
"1182457"	94.6871513333333	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+3Na"	68.967654
"1662194"	284.088488	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Na+HCOOH"	68.994688
"170886"	507.10664	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+2K-H"	76.91904
"609714"	722.20044	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+2K-H"	76.91904
"1095319"	292.01284	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2K-H"	76.91904
"144842"	254.056958	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"2M+2K"	77.926316
"588415"	361.603858	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"3M+2K"	77.926316
"1075116"	146.510058	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2K"	77.926316
"1101032"	294.027392	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2K+H"	78.933592
"1342522"	294.115007	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+DMSO+H"	79.021207
"1013239"	298.154176	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2ACN+H"	83.060376
"1533554"	299.147808	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+IsoProp+Na+H"	84.054008
"1001827"	149.580726	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+2ACN+2H"	84.067652
"1598880"	300.062428	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+K+HCOOH"	84.968628
"1428915"	330.093938	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+H+CF3COOH"	115.000138
"1162739"	170.094001	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+3ACN+2H"	125.094202
"1709847"	347.120485	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+NH4+CF3COOH"	132.026685
"1643309"	352.07588	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+Na+CF3COOH"	136.98208
"1586616"	368.04982	"C06551"	"Atrazine"	"C8H14ClN5"	"215.0938"	"M+K+CF3COOH"	152.95602
"808232"	197.1277	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M"	0
"982863"	178.10931	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-H2O-H"	-19.01839
"72199"	130.411190666667	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M-3H"	-3.021828
"510667"	196.120424	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M-3H"	-3.021828
"887373"	64.7019573333333	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-3H"	-3.021828
"8138"	196.120424	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M-2H"	-2.014552
"447695"	294.684274	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M-2H"	-2.014552
"823308"	97.556574	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-2H"	-2.014552
"87679"	393.248124	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M-H"	-1.007276
"526143"	590.375824	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M-H"	-1.007276
"899569"	196.120424	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-H"	-1.007276
"49570"	410.274671	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M-2H+NH4"	16.019271
"491323"	607.402371	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M-2H+NH4"	16.019271
"874593"	213.146971	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-2H+NH4"	16.019271
"40308"	415.230066	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M-2H+Na"	20.974666
"483514"	612.357766	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M-2H+Na"	20.974666
"855482"	218.102366	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-2H+Na"	20.974666
"1626107"	218.102366	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Na-2H"	20.974666
"103729"	214.108763	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M-H+Cl"	33.962126
"542196"	312.672613	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M-H+Cl"	33.962126
"931337"	115.544913	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-H+Cl"	33.962126
"277549"	429.224802	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+Cl"	34.969402
"669971"	626.352502	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+Cl"	34.969402
"1277999"	232.097102	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Cl"	34.969402
"16787"	431.204006	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M-2H+K"	36.948606
"462304"	628.331706	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M-2H+K"	36.948606
"845576"	234.076306	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-2H+K"	36.948606
"1565056"	234.076306	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+K-2H"	36.948606
"948564"	242.125894	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-H+HCOOH"	44.998194
"374074"	439.253601	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+HCOOH-H"	44.998201
"355768"	453.269251	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+Hac-H"	59.013851
"1496581"	256.141551	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Hac-H"	59.013851
"964124"	264.107851	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-H+NaCOOH"	66.980151
"115217"	232.097102	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+2Cl"	69.938804
"556600"	330.660952	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+2Cl"	69.938804
"1028680"	133.533252	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2Cl"	69.938804
"1252998"	276.046585	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Br"	78.918885
"1307789"	278.102572	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Cl+HCOOH"	80.974872
"1324922"	300.084529	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Cl+NaCOOH"	102.956829
"914159"	310.113286	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M-H+CF3COOH"	112.985586
"1290138"	346.089964	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Cl+CF3COOH"	148.962264
"1372676"	162.115024	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H-2H2O"	-35.012676
"1383608"	180.125	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H-H2O"	-17.0027
"290954"	395.262676	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+H"	1.007276
"682282"	592.390376	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+H"	1.007276
"1364103"	198.134976	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H"	1.007276
"130429"	198.134976	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+2H"	2.014552
"573998"	296.698826	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+2H"	2.014552
"1039881"	99.571126	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2H"	2.014552
"209973"	132.425742666667	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+3H"	3.021828
"652814"	198.134976	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+3H"	3.021828
"1172764"	66.7165093333333	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+3H"	3.021828
"435310"	412.289223	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+NH4"	18.033823
"789745"	609.416923	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+NH4"	18.033823
"1687171"	215.161523	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+NH4"	18.033823
"336541"	206.6482495	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+H+NH4"	19.041099
"732240"	305.2120995	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+H+NH4"	19.041099
"1484969"	108.0843995	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H+NH4"	19.041099
"399275"	417.244618	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+Na"	22.989218
"763550"	614.372318	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+Na"	22.989218
"1607275"	220.116918	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Na"	22.989218
"317314"	209.125947	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+H+Na"	23.996494
"710831"	307.689797	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+H+Na"	23.996494
"1462337"	110.562097	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H+Na"	23.996494
"1055709"	74.0438233333333	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2H+Na"	25.00377
"1261763"	230.161186	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+CH3OH+H"	33.033486
"384715"	433.218558	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+K"	38.963158
"745710"	630.346258	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+K"	38.963158
"1545576"	236.090858	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+K"	38.963158
"303847"	217.112917	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+H+K"	39.970434
"696269"	315.676767	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+H+K"	39.970434
"1447294"	118.549067	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H+K"	39.970434
"241974"	436.289226	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+ACN+H"	42.033826
"1214681"	239.161526	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+ACN+H"	42.033826
"1195528"	120.084401	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+ACN+2H"	43.041102
"195812"	439.22656	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+2Na-H"	44.97116
"630998"	636.35426	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+2Na-H"	44.97116
"1138879"	242.09886	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2Na-H"	44.97116
"185819"	220.116918	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+2Na"	45.978436
"621738"	318.680768	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+2Na"	45.978436
"1119047"	121.553068	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2Na"	45.978436
"1404395"	81.3711373333333	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H+2Na"	46.985712
"1439794"	244.140446	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H+HCOOH"	47.012746
"227302"	225.14994	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+3H2O+2H"	56.04448
"1515364"	258.19249	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+IsoProp+H"	61.06479
"416145"	228.103888	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+Na+K"	61.952376
"779330"	326.667738	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+Na+K"	61.952376
"1670194"	129.540038	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Na+K"	61.952376
"257805"	458.271168	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+ACN+Na"	64.015768
"1227959"	261.143468	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+ACN+Na"	64.015768
"1715388"	261.166993	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+NH4+HCOOH"	64.039293
"1180742"	88.6984513333333	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+3Na"	68.967654
"1659022"	266.122388	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Na+HCOOH"	68.994688
"168809"	471.17444	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+2K-H"	76.91904
"606546"	668.30214	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+2K-H"	76.91904
"1089964"	274.04674	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2K-H"	76.91904
"145682"	236.090858	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"2M+2K"	77.926316
"585244"	334.654708	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"3M+2K"	77.926316
"1074132"	137.527008	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2K"	77.926316
"1105154"	276.061292	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2K+H"	78.933592
"1340444"	276.148907	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+DMSO+H"	79.021207
"1012256"	280.188076	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2ACN+H"	83.060376
"1531477"	281.181708	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+IsoProp+Na+H"	84.054008
"997925"	140.597676	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+2ACN+2H"	84.067652
"1598626"	282.096328	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+K+HCOOH"	84.968628
"1427568"	312.127838	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+H+CF3COOH"	115.000138
"1160406"	161.110951	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+3ACN+2H"	125.094202
"1707769"	329.154385	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+NH4+CF3COOH"	132.026685
"1646699"	334.10978	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+Na+CF3COOH"	136.98208
"1586726"	350.08372	"C06552"	"Hydroxyatrazine;4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-135-triazine"	"C8H15N5O"	"197.1277"	"M+K+CF3COOH"	152.95602
"806156"	170.0804	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M"	0
"982973"	151.06201	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-H2O-H"	-19.01839
"70122"	112.379657333333	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M-3H"	-3.021828
"514056"	169.073124	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M-3H"	-3.021828
"886390"	55.6861906666667	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-3H"	-3.021828
"14808"	169.073124	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M-2H"	-2.014552
"449993"	254.113324	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M-2H"	-2.014552
"824513"	84.032924	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-2H"	-2.014552
"87789"	339.153524	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M-H"	-1.007276
"526253"	509.233924	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M-H"	-1.007276
"897493"	169.073124	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-H"	-1.007276
"51867"	356.180071	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M-2H+NH4"	16.019271
"491430"	526.260471	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M-2H+NH4"	16.019271
"873610"	186.099671	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-2H+NH4"	16.019271
"42605"	361.135466	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M-2H+Na"	20.974666
"485082"	531.215866	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M-2H+Na"	20.974666
"858872"	191.055066	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-2H+Na"	20.974666
"1626217"	191.055066	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Na-2H"	20.974666
"103839"	187.061463	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M-H+Cl"	33.962126
"543399"	272.101663	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M-H+Cl"	33.962126
"930354"	102.021263	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-H+Cl"	33.962126
"274379"	375.130202	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+Cl"	34.969402
"667894"	545.210602	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+Cl"	34.969402
"1274829"	205.049802	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Cl"	34.969402
"16651"	377.109406	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M-2H+K"	36.948606
"460228"	547.189806	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M-2H+K"	36.948606
"834748"	207.029006	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-2H+K"	36.948606
"1563705"	207.029006	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+K-2H"	36.948606
"946487"	215.078594	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-H+HCOOH"	44.998194
"374183"	385.159001	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+HCOOH-H"	44.998201
"353326"	399.174651	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+Hac-H"	59.013851
"1494868"	229.094251	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Hac-H"	59.013851
"961682"	237.060551	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-H+NaCOOH"	66.980151
"113869"	205.049802	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+2Cl"	69.938804
"557074"	290.090002	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+2Cl"	69.938804
"1026603"	120.009602	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2Cl"	69.938804
"1245087"	248.999285	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Br"	78.918885
"1307899"	251.055272	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Cl+HCOOH"	80.974872
"1320292"	273.037229	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Cl+NaCOOH"	102.956829
"912444"	283.065986	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M-H+CF3COOH"	112.985586
"1290609"	319.042664	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Cl+CF3COOH"	148.962264
"1368041"	135.067724	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H-2H2O"	-35.012676
"1383351"	153.0777	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H-H2O"	-17.0027
"287784"	341.168076	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+H"	1.007276
"679112"	511.248476	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+H"	1.007276
"1358745"	171.087676	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H"	1.007276
"130539"	171.087676	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+2H"	2.014552
"574108"	256.127876	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+2H"	2.014552
"1043271"	86.047476	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2H"	2.014552
"206799"	114.394209333333	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+3H"	3.021828
"646361"	171.087676	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+3H"	3.021828
"1163514"	57.7007426666667	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+3H"	3.021828
"431043"	358.194623	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+NH4"	18.033823
"794225"	528.275023	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+NH4"	18.033823
"1690562"	188.114223	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+NH4"	18.033823
"336652"	179.6009495	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+H+NH4"	19.041099
"729072"	264.6411495	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+H+NH4"	19.041099
"1485082"	94.5607495	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H+NH4"	19.041099
"400480"	363.150018	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+Na"	22.989218
"760380"	533.230418	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+Na"	22.989218
"1607750"	193.069618	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Na"	22.989218
"318518"	182.078647	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+H+Na"	23.996494
"709849"	267.118847	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+H+Na"	23.996494
"1463301"	97.038447	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H+Na"	23.996494
"1055090"	65.0280566666667	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2H+Na"	25.00377
"1261508"	203.113886	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+CH3OH+H"	33.033486
"384826"	379.123958	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+K"	38.963158
"745820"	549.204358	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+K"	38.963158
"1544593"	209.043558	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+K"	38.963158
"303957"	190.065617	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+H+K"	39.970434
"695286"	275.105817	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+H+K"	39.970434
"1450200"	105.025417	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H+K"	39.970434
"244271"	382.194626	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+ACN+H"	42.033826
"1214792"	212.114226	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+ACN+H"	42.033826
"1204144"	106.560751	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+ACN+2H"	43.041102
"194829"	385.13196	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+2Na-H"	44.97116
"630015"	555.21236	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+2Na-H"	44.97116
"1138989"	215.05156	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2Na-H"	44.97116
"185929"	193.069618	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+2Na"	45.978436
"625493"	278.109818	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+2Na"	45.978436
"1122074"	108.029418	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2Na"	45.978436
"1404505"	72.3553706666667	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H+2Na"	46.985712
"1442091"	217.093146	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H+HCOOH"	47.012746
"226318"	198.10264	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+3H2O+2H"	56.04448
"1515474"	231.14519	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+IsoProp+H"	61.06479
"418441"	201.056588	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+Na+K"	61.952376
"778346"	286.096788	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+Na+K"	61.952376
"1672490"	116.016388	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Na+K"	61.952376
"257915"	404.176568	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+ACN+Na"	64.015768
"1230622"	234.096168	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+ACN+Na"	64.015768
"1716955"	234.119693	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+NH4+HCOOH"	64.039293
"1181946"	79.6826846666667	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+3Na"	68.967654
"1661319"	239.075088	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Na+HCOOH"	68.994688
"169649"	417.07984	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+2K-H"	76.91904
"608116"	587.16024	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+2K-H"	76.91904
"1092261"	246.99944	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2K-H"	76.91904
"145793"	209.043558	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"2M+2K"	77.926316
"586448"	294.083758	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"3M+2K"	77.926316
"1076428"	124.003358	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2K"	77.926316
"1106357"	249.013992	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2K+H"	78.933592
"1342742"	249.101607	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+DMSO+H"	79.021207
"1010178"	253.140776	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2ACN+H"	83.060376
"1530494"	254.134408	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+IsoProp+Na+H"	84.054008
"999128"	127.074026	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+2ACN+2H"	84.067652
"1600193"	255.049028	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+K+HCOOH"	84.968628
"1428041"	285.080538	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+H+CF3COOH"	115.000138
"1161975"	147.587301	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+3ACN+2H"	125.094202
"1710066"	302.107085	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+NH4+CF3COOH"	132.026685
"1646809"	307.06248	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+Na+CF3COOH"	136.98208
"1586836"	323.03642	"C06553"	"N-Isopropylammelide"	"C6H10N4O2"	"170.0804"	"M+K+CF3COOH"	152.95602
"806266"	129.0174	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M"	0
"989774"	109.99901	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-H2O-H"	-19.01839
"78257"	85.004324	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M-3H"	-3.021828
"517326"	128.010124	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M-3H"	-3.021828
"894154"	41.998524	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-3H"	-3.021828
"12732"	128.010124	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M-2H"	-2.014552
"451197"	192.518824	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M-2H"	-2.014552
"826810"	63.501424	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-2H"	-2.014552
"86806"	257.027524	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M-H"	-1.007276
"527457"	386.044924	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M-H"	-1.007276
"896510"	128.010124	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-H"	-1.007276
"48698"	274.054071	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M-2H+NH4"	16.019271
"491542"	403.071471	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M-2H+NH4"	16.019271
"874813"	145.036671	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-2H+NH4"	16.019271
"44902"	279.009466	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M-2H+Na"	20.974666
"486974"	408.026866	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M-2H+Na"	20.974666
"858982"	149.992066	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-2H+Na"	20.974666
"1628514"	149.992066	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Na-2H"	20.974666
"102855"	145.998463	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M-H+Cl"	33.962126
"543509"	210.507163	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M-H+Cl"	33.962126
"937024"	81.489763	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-H+Cl"	33.962126
"274489"	293.004202	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+Cl"	34.969402
"669099"	422.021602	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+Cl"	34.969402
"1280407"	163.986802	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Cl"	34.969402
"18588"	294.983406	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M-2H+K"	36.948606
"461431"	424.000806	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M-2H+K"	36.948606
"837045"	165.966006	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-2H+K"	36.948606
"1568191"	165.966006	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+K-2H"	36.948606
"952795"	174.015594	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-H+HCOOH"	44.998194
"371013"	303.033001	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+HCOOH-H"	44.998201
"354895"	317.048651	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+Hac-H"	59.013851
"1495342"	188.031251	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Hac-H"	59.013851
"961793"	195.997551	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-H+NaCOOH"	66.980151
"116167"	163.986802	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+2Cl"	69.938804
"556457"	228.495502	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+2Cl"	69.938804
"1025984"	99.478102	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2Cl"	69.938804
"1249208"	207.936285	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Br"	78.918885
"1308375"	209.992272	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Cl+HCOOH"	80.974872
"1320403"	231.974229	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Cl+NaCOOH"	102.956829
"915473"	242.002986	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M-H+CF3COOH"	112.985586
"1290355"	277.979664	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Cl+CF3COOH"	148.962264
"1369609"	94.004724	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H-2H2O"	-35.012676
"1384192"	112.0147	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H-H2O"	-17.0027
"286800"	259.042076	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+H"	1.007276
"682502"	388.059476	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+H"	1.007276
"1358491"	130.024676	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H"	1.007276
"132472"	130.024676	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+2H"	2.014552
"577500"	194.533376	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+2H"	2.014552
"1040102"	65.515976	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2H"	2.014552
"211286"	87.018876	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+3H"	3.021828
"646470"	130.024676	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+3H"	3.021828
"1164596"	44.013076	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+3H"	3.021828
"434435"	276.068623	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+NH4"	18.033823
"793244"	405.086023	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+NH4"	18.033823
"1691763"	147.051223	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+NH4"	18.033823
"338947"	138.5379495	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+H+NH4"	19.041099
"728089"	203.0466495	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+H+NH4"	19.041099
"1485190"	74.0292495	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H+NH4"	19.041099
"395121"	281.024018	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+Na"	22.989218
"759397"	410.041418	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+Na"	22.989218
"1607496"	152.006618	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Na"	22.989218
"319723"	141.015647	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+H+Na"	23.996494
"708863"	205.524347	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+H+Na"	23.996494
"1464505"	76.506947	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H+Na"	23.996494
"1054832"	51.34039	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2H+Na"	25.00377
"1261617"	162.050886	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+CH3OH+H"	33.033486
"384936"	296.997958	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+K"	38.963158
"743742"	426.015358	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+K"	38.963158
"1544703"	167.980558	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+K"	38.963158
"301880"	149.002617	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+H+K"	39.970434
"696489"	213.511317	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+H+K"	39.970434
"1450310"	84.493917	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H+K"	39.970434
"243286"	300.068626	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+ACN+H"	42.033826
"1213806"	171.051226	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+ACN+H"	42.033826
"1197692"	86.029251	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+ACN+2H"	43.041102
"191658"	303.00596	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+2Na-H"	44.97116
"630487"	432.02336	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+2Na-H"	44.97116
"1134724"	173.98856	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2Na-H"	44.97116
"185674"	152.006618	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+2Na"	45.978436
"627428"	216.515318	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+2Na"	45.978436
"1130326"	87.497918	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2Na"	45.978436
"1410082"	58.667704	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H+2Na"	46.985712
"1440014"	176.030146	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H+HCOOH"	47.012746
"229709"	157.03964	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+3H2O+2H"	56.04448
"1516677"	190.08219	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+IsoProp+H"	61.06479
"420738"	159.993588	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+Na+K"	61.952376
"781736"	224.502288	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+Na+K"	61.952376
"1673693"	95.484888	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Na+K"	61.952376
"262400"	322.050568	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+ACN+Na"	64.015768
"1232918"	193.033168	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+ACN+Na"	64.015768
"1721804"	193.056693	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+NH4+HCOOH"	64.039293
"1184972"	65.995018	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+3Na"	68.967654
"1663251"	198.012088	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Na+HCOOH"	68.994688
"169757"	334.95384	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+2K-H"	76.91904
"605671"	463.97124	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+2K-H"	76.91904
"1094558"	205.93644	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2K-H"	76.91904
"146997"	167.980558	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"2M+2K"	77.926316
"585465"	232.489258	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"3M+2K"	77.926316
"1076539"	103.471858	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2K"	77.926316
"1106466"	207.950992	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2K+H"	78.933592
"1342849"	208.038607	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+DMSO+H"	79.021207
"1011378"	212.077776	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2ACN+H"	83.060376
"1534977"	213.071408	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+IsoProp+Na+H"	84.054008
"1002519"	106.542526	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+2ACN+2H"	84.067652
"1599212"	213.986028	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+K+HCOOH"	84.968628
"1425964"	244.017538	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+H+CF3COOH"	115.000138
"1161720"	127.055801	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+3ACN+2H"	125.094202
"1711270"	261.044085	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+NH4+CF3COOH"	132.026685
"1645826"	265.99948	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+Na+CF3COOH"	136.98208
"1586946"	281.97342	"C06554"	"Cyanuric acid"	"C3H3N3O3"	"129.0174"	"M+K+CF3COOH"	152.95602
"809656"	103.0382	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M"	0
"985379"	84.01981	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-H2O-H"	-19.01839
"73622"	67.6848573333333	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M-3H"	-3.021828
"514276"	102.030924	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M-3H"	-3.021828
"890984"	33.3387906666667	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-3H"	-3.021828
"11748"	102.030924	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M-2H"	-2.014552
"445839"	153.550024	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M-2H"	-2.014552
"821453"	50.511824	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-2H"	-2.014552
"84729"	205.069124	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M-H"	-1.007276
"523194"	308.107324	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M-H"	-1.007276
"895688"	102.030924	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-H"	-1.007276
"47274"	222.095671	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M-2H+NH4"	16.019271
"490558"	325.133871	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M-2H+NH4"	16.019271
"873830"	119.057471	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-2H+NH4"	16.019271
"41732"	227.051066	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M-2H+Na"	20.974666
"483480"	330.089266	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M-2H+Na"	20.974666
"857999"	124.012866	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-2H+Na"	20.974666
"1630447"	124.012866	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Na-2H"	20.974666
"102966"	120.019263	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M-H+Cl"	33.962126
"541434"	171.538363	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M-H+Cl"	33.962126
"937134"	68.500163	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-H+Cl"	33.962126
"276059"	241.045802	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+Cl"	34.969402
"665929"	344.084002	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+Cl"	34.969402
"1277237"	138.007602	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Cl"	34.969402
"18697"	243.025006	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M-2H+K"	36.948606
"459354"	346.063206	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M-2H+K"	36.948606
"837155"	139.986806	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-2H+K"	36.948606
"1560647"	139.986806	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+K-2H"	36.948606
"946344"	148.036394	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-H+HCOOH"	44.998194
"370030"	251.074601	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+HCOOH-H"	44.998201
"351725"	265.090251	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+Hac-H"	59.013851
"1496185"	162.052051	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Hac-H"	59.013851
"958742"	170.018351	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-H+NaCOOH"	66.980151
"113362"	138.007602	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+2Cl"	69.938804
"555839"	189.526702	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+2Cl"	69.938804
"1026095"	86.488502	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2Cl"	69.938804
"1242757"	181.957085	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Br"	78.918885
"1305933"	184.013072	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Cl+HCOOH"	80.974872
"1319965"	205.995029	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Cl+NaCOOH"	102.956829
"914490"	216.023786	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M-H+CF3COOH"	112.985586
"1290101"	252.000464	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Cl+CF3COOH"	148.962264
"1367656"	68.025524	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H-2H2O"	-35.012676
"1383940"	86.0355	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H-H2O"	-17.0027
"286910"	207.083676	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+H"	1.007276
"682612"	310.121876	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+H"	1.007276
"1361517"	104.045476	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H"	1.007276
"134039"	104.045476	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+2H"	2.014552
"576881"	155.564576	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+2H"	2.014552
"1039119"	52.526376	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2H"	2.014552
"211396"	69.6994093333333	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+3H"	3.021828
"646580"	104.045476	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+3H"	3.021828
"1165799"	35.3533426666667	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+3H"	3.021828
"434545"	224.110223	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+NH4"	18.033823
"793354"	327.148423	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+NH4"	18.033823
"1692966"	121.072023	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+NH4"	18.033823
"339057"	112.5587495	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+H+NH4"	19.041099
"729292"	164.0778495	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+H+NH4"	19.041099
"1485300"	61.0396495	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H+NH4"	19.041099
"396324"	229.065618	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+Na"	22.989218
"758414"	332.103818	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+Na"	22.989218
"1607970"	126.027418	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Na"	22.989218
"318739"	115.036447	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+H+Na"	23.996494
"707876"	166.555547	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+H+Na"	23.996494
"1464614"	63.517347	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H+Na"	23.996494
"1055308"	42.6806566666667	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2H+Na"	25.00377
"1258080"	136.071686	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+CH3OH+H"	33.033486
"382851"	245.039558	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+K"	38.963158
"742753"	348.077758	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+K"	38.963158
"1542257"	142.001358	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+K"	38.963158
"299798"	123.023417	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+H+K"	39.970434
"691856"	174.542517	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+H+K"	39.970434
"1445841"	71.504317	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H+K"	39.970434
"236100"	248.110226	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+ACN+H"	42.033826
"1213917"	145.072026	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+ACN+H"	42.033826
"1195614"	73.039651	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+ACN+2H"	43.041102
"192860"	251.04756	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+2Na-H"	44.97116
"628687"	354.08576	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+2Na-H"	44.97116
"1131794"	148.00936	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2Na-H"	44.97116
"173458"	126.027418	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+2Na"	45.978436
"613790"	177.546518	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+2Na"	45.978436
"1126662"	74.508318	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2Na"	45.978436
"1407998"	50.0079706666667	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H+2Na"	46.985712
"1443400"	150.050946	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H+HCOOH"	47.012746
"234675"	131.06044	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+3H2O+2H"	56.04448
"1516787"	164.10299	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+IsoProp+H"	61.06479
"414286"	134.014388	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+Na+K"	61.952376
"777468"	185.533488	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+Na+K"	61.952376
"1669423"	82.495288	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Na+K"	61.952376
"258130"	270.092168	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+ACN+Na"	64.015768
"1231935"	167.053968	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+ACN+Na"	64.015768
"1720821"	167.077493	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+NH4+HCOOH"	64.039293
"1187269"	57.3352846666667	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+3Na"	68.967654
"1658255"	172.032888	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Na+HCOOH"	68.994688
"161836"	282.99544	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+2K-H"	76.91904
"601398"	386.03364	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+2K-H"	76.91904
"1093566"	179.95724	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2K-H"	76.91904
"152574"	142.001358	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"2M+2K"	77.926316
"587757"	193.520458	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"3M+2K"	77.926316
"1077737"	90.482258	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2K"	77.926316
"1107666"	181.971792	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2K+H"	78.933592
"1339676"	182.059407	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+DMSO+H"	79.021207
"1006383"	186.098576	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2ACN+H"	83.060376
"1524872"	187.092208	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+IsoProp+Na+H"	84.054008
"991685"	93.552926	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+2ACN+2H"	84.067652
"1589470"	188.006828	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+K+HCOOH"	84.968628
"1420599"	218.038338	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+H+CF3COOH"	115.000138
"1149793"	114.066201	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+3ACN+2H"	125.094202
"1703720"	235.064885	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+NH4+CF3COOH"	132.026685
"1642653"	240.02028	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+Na+CF3COOH"	136.98208
"1573930"	255.99422	"C06555"	"Biuret"	"C2H5N3O2"	"103.0382"	"M+K+CF3COOH"	152.95602
"807579"	173.0468	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M"	0
"983302"	154.02841	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-H2O-H"	-19.01839
"77500"	114.357257333333	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M-3H"	-3.021828
"514387"	172.039524	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M-3H"	-3.021828
"891094"	56.6749906666667	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-3H"	-3.021828
"9670"	172.039524	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M-2H"	-2.014552
"445949"	258.562924	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M-2H"	-2.014552
"824843"	85.516124	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-2H"	-2.014552
"83743"	345.086324	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M-H"	-1.007276
"525490"	518.133124	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M-H"	-1.007276
"896851"	172.039524	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-H"	-1.007276
"47815"	362.112871	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M-2H+NH4"	16.019271
"492854"	535.159671	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M-2H+NH4"	16.019271
"875033"	189.066071	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-2H+NH4"	16.019271
"45368"	367.068266	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M-2H+Na"	20.974666
"485411"	540.115066	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M-2H+Na"	20.974666
"858109"	194.021466	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-2H+Na"	20.974666
"1628734"	194.021466	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Na-2H"	20.974666
"103076"	190.027863	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M-H+Cl"	33.962126
"540450"	276.551263	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M-H+Cl"	33.962126
"937244"	103.504463	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-H+Cl"	33.962126
"275804"	381.063002	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+Cl"	34.969402
"667133"	554.109802	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+Cl"	34.969402
"1278440"	208.016202	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Cl"	34.969402
"18808"	383.042206	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M-2H+K"	36.948606
"459464"	556.089006	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M-2H+K"	36.948606
"837265"	209.995406	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-2H+K"	36.948606
"1564034"	209.995406	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+K-2H"	36.948606
"948637"	218.044994	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-H+HCOOH"	44.998194
"365028"	391.091801	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+HCOOH-H"	44.998201
"351835"	405.107451	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+Hac-H"	59.013851
"1496659"	232.060651	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Hac-H"	59.013851
"961284"	240.026951	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-H+NaCOOH"	66.980151
"110917"	208.016202	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+2Cl"	69.938804
"557404"	294.539602	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+2Cl"	69.938804
"1027298"	121.492802	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2Cl"	69.938804
"1246512"	251.965685	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Br"	78.918885
"1306042"	254.021672	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Cl+HCOOH"	80.974872
"1320744"	276.003629	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Cl+NaCOOH"	102.956829
"912411"	286.032386	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M-H+CF3COOH"	112.985586
"1290938"	322.009064	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Cl+CF3COOH"	148.962264
"1368738"	138.034124	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H-2H2O"	-35.012676
"1384414"	156.0441	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H-H2O"	-17.0027
"285927"	347.100876	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+H"	1.007276
"679442"	520.147676	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+H"	1.007276
"1362356"	174.054076	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H"	1.007276
"134149"	174.054076	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+2H"	2.014552
"575532"	260.577476	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+2H"	2.014552
"1039229"	87.530676	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2H"	2.014552
"211506"	116.371809333333	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+3H"	3.021828
"645597"	174.054076	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+3H"	3.021828
"1167002"	58.6895426666667	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+3H"	3.021828
"436843"	364.127423	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+NH4"	18.033823
"793463"	537.174223	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+NH4"	18.033823
"1693076"	191.080623	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+NH4"	18.033823
"340260"	182.5673495	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+H+NH4"	19.041099
"729404"	269.0907495	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+H+NH4"	19.041099
"1483220"	96.0439495	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H+NH4"	19.041099
"401903"	369.082818	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+Na"	22.989218
"762898"	542.129618	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+Na"	22.989218
"1606986"	196.036018	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Na"	22.989218
"319943"	185.045047	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+H+Na"	23.996494
"708594"	271.568447	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+H+Na"	23.996494
"1466183"	98.521647	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H+Na"	23.996494
"1056511"	66.0168566666667	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2H+Na"	25.00377
"1258916"	206.080286	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+CH3OH+H"	33.033486
"378707"	385.056758	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+K"	38.963158
"743227"	558.103558	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+K"	38.963158
"1546010"	212.009958	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+K"	38.963158
"300634"	193.032017	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+H+K"	39.970434
"693059"	279.555417	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+H+K"	39.970434
"1447247"	106.508617	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H+K"	39.970434
"236577"	388.127426	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+ACN+H"	42.033826
"1211838"	215.080626	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+ACN+H"	42.033826
"1195358"	108.043951	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+ACN+2H"	43.041102
"192970"	391.06476	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+2Na-H"	44.97116
"628759"	564.11156	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+2Na-H"	44.97116
"1131904"	218.01796	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2Na-H"	44.97116
"173978"	196.036018	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+2Na"	45.978436
"614509"	282.559418	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+2Na"	45.978436
"1127865"	109.512618	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2Na"	45.978436
"1408108"	73.3441706666667	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H+2Na"	46.985712
"1445098"	220.059546	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H+HCOOH"	47.012746
"234908"	201.06904	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+3H2O+2H"	56.04448
"1519084"	234.11159	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+IsoProp+H"	61.06479
"414395"	204.022988	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+Na+K"	61.952376
"779764"	290.546388	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+Na+K"	61.952376
"1667346"	117.499588	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Na+K"	61.952376
"257147"	410.109368	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+ACN+Na"	64.015768
"1232044"	237.062568	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+ACN+Na"	64.015768
"1720931"	237.086093	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+NH4+HCOOH"	64.039293
"1186286"	80.6714846666667	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+3Na"	68.967654
"1658365"	242.041488	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Na+HCOOH"	68.994688
"161946"	423.01264	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+2K-H"	76.91904
"602601"	596.05944	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+2K-H"	76.91904
"1093675"	249.96584	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2K-H"	76.91904
"153778"	212.009958	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"2M+2K"	77.926316
"588960"	298.533358	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"3M+2K"	77.926316
"1077847"	125.486558	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2K"	77.926316
"1108869"	251.980392	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2K+H"	78.933592
"1339786"	252.068007	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+DMSO+H"	79.021207
"1008316"	256.107176	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2ACN+H"	83.060376
"1527535"	257.100808	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+IsoProp+Na+H"	84.054008
"995075"	128.557226	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+2ACN+2H"	84.067652
"1588487"	258.015428	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+K+HCOOH"	84.968628
"1421801"	288.046938	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+H+CF3COOH"	115.000138
"1150268"	149.070501	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+3ACN+2H"	125.094202
"1702737"	305.073485	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+NH4+CF3COOH"	132.026685
"1642763"	310.02888	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+Na+CF3COOH"	136.98208
"1574040"	326.00282	"C06556"	"Deisopropylatrazine"	"C5H8ClN5"	"173.0468"	"M+K+CF3COOH"	152.95602
"807689"	155.0807	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M"	0
"984505"	136.06231	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-H2O-H"	-19.01839
"76757"	102.379857333333	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M-3H"	-3.021828
"515589"	154.073424	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M-3H"	-3.021828
"889017"	50.6862906666667	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-3H"	-3.021828
"9780"	154.073424	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M-2H"	-2.014552
"446059"	231.613774	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M-2H"	-2.014552
"822767"	76.533074	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-2H"	-2.014552
"82760"	309.154124	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M-H"	-1.007276
"526693"	464.234824	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M-H"	-1.007276
"895981"	154.073424	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-H"	-1.007276
"47560"	326.180671	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M-2H+NH4"	16.019271
"489683"	481.261371	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M-2H+NH4"	16.019271
"872956"	171.099971	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-2H+NH4"	16.019271
"44504"	331.136066	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M-2H+Na"	20.974666
"482606"	486.216766	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M-2H+Na"	20.974666
"856032"	176.055366	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-2H+Na"	20.974666
"1623377"	176.055366	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Na-2H"	20.974666
"103186"	172.061763	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M-H+Cl"	33.962126
"543841"	249.602113	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M-H+Cl"	33.962126
"934074"	94.521413	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-H+Cl"	33.962126
"274820"	345.130802	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+Cl"	34.969402
"669429"	500.211502	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+Cl"	34.969402
"1281830"	190.050102	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Cl"	34.969402
"22198"	347.110006	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M-2H+K"	36.948606
"462854"	502.190706	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M-2H+K"	36.948606
"838468"	192.029306	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-2H+K"	36.948606
"1567424"	192.029306	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+K-2H"	36.948606
"948748"	200.078894	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-H+HCOOH"	44.998194
"363682"	355.159601	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+HCOOH-H"	44.998201
"347934"	369.175251	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+Hac-H"	59.013851
"1496040"	214.094551	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Hac-H"	59.013851
"959569"	222.060851	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-H+NaCOOH"	66.980151
"113217"	190.050102	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+2Cl"	69.938804
"551317"	267.590452	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+2Cl"	69.938804
"1023762"	112.509752	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2Cl"	69.938804
"1244799"	233.999585	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Br"	78.918885
"1304691"	236.055572	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Cl+HCOOH"	80.974872
"1321097"	258.037529	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Cl+NaCOOH"	102.956829
"913612"	268.066286	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M-H+CF3COOH"	112.985586
"1290440"	304.042964	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Cl+CF3COOH"	148.962264
"1368846"	120.068024	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H-2H2O"	-35.012676
"1385618"	138.078	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H-H2O"	-17.0027
"286401"	311.168676	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+H"	1.007276
"679916"	466.249376	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+H"	1.007276
"1365384"	156.087976	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H"	1.007276
"136447"	156.087976	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+2H"	2.014552
"578923"	233.628326	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+2H"	2.014552
"1039703"	78.547626	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2H"	2.014552
"211616"	104.394409333333	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+3H"	3.021828
"647893"	156.087976	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+3H"	3.021828
"1167113"	52.7008426666667	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+3H"	3.021828
"429295"	328.195223	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+NH4"	18.033823
"792480"	483.275923	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+NH4"	18.033823
"1694279"	173.114523	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+NH4"	18.033823
"337089"	164.6012495	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+H+NH4"	19.041099
"733885"	242.1415995	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+H+NH4"	19.041099
"1485517"	87.0608995	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H+NH4"	19.041099
"404199"	333.150618	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+Na"	22.989218
"760819"	488.231318	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+Na"	22.989218
"1610012"	178.069918	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Na"	22.989218
"320054"	167.078947	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+H+Na"	23.996494
"709921"	244.619297	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+H+Na"	23.996494
"1465199"	89.538597	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H+Na"	23.996494
"1057351"	60.0281566666667	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2H+Na"	25.00377
"1260123"	188.114186	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+CH3OH+H"	33.033486
"380885"	349.124558	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+K"	38.963158
"746255"	504.205258	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+K"	38.963158
"1543934"	194.043858	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+K"	38.963158
"302567"	175.065917	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+H+K"	39.970434
"692441"	252.606267	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+H+K"	39.970434
"1446993"	97.525567	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H+K"	39.970434
"239239"	352.195226	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+ACN+H"	42.033826
"1213042"	197.114526	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+ACN+H"	42.033826
"1198385"	99.060901	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+ACN+2H"	43.041102
"189183"	355.13256	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+2Na-H"	44.97116
"630450"	510.21326	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+2Na-H"	44.97116
"1132498"	200.05186	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2Na-H"	44.97116
"175060"	178.069918	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+2Na"	45.978436
"613637"	255.610268	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+2Na"	45.978436
"1126881"	100.529568	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2Na"	45.978436
"1406032"	67.3554706666667	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H+2Na"	46.985712
"1444478"	202.093446	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H+HCOOH"	47.012746
"231127"	183.10294	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+3H2O+2H"	56.04448
"1517005"	216.14549	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+IsoProp+H"	61.06479
"416692"	186.056888	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+Na+K"	61.952376
"778780"	263.597238	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+Na+K"	61.952376
"1668549"	108.516538	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Na+K"	61.952376
"256163"	374.177168	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+ACN+Na"	64.015768
"1232154"	219.096468	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+ACN+Na"	64.015768
"1719947"	219.119993	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+NH4+HCOOH"	64.039293
"1185302"	74.6827846666667	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+3Na"	68.967654
"1655195"	224.075388	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Na+HCOOH"	68.994688
"162056"	387.08044	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+2K-H"	76.91904
"601618"	542.16114	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+2K-H"	76.91904
"1094878"	231.99974	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2K-H"	76.91904
"154252"	194.043858	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"2M+2K"	77.926316
"589070"	271.584208	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"3M+2K"	77.926316
"1077957"	116.503508	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2K"	77.926316
"1106792"	234.014292	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2K+H"	78.933592
"1336737"	234.101907	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+DMSO+H"	79.021207
"1006723"	238.141076	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2ACN+H"	83.060376
"1525457"	239.134708	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+IsoProp+Na+H"	84.054008
"989992"	119.574176	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+2ACN+2H"	84.067652
"1589690"	240.049328	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+K+HCOOH"	84.968628
"1418631"	270.080838	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+H+CF3COOH"	115.000138
"1147946"	140.087451	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+3ACN+2H"	125.094202
"1703940"	287.107385	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+NH4+CF3COOH"	132.026685
"1640686"	292.06278	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+Na+CF3COOH"	136.98208
"1574150"	308.03672	"C06557"	"Deisopropylhydroxyatrazine"	"C5H9N5O"	"155.0807"	"M+K+CF3COOH"	152.95602
"813267"	156.0647	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M"	0
"986802"	137.04631	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-H2O-H"	-19.01839
"77963"	103.035857333333	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M-3H"	-3.021828
"516065"	155.057424	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M-3H"	-3.021828
"892408"	51.0142906666667	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-3H"	-3.021828
"10984"	155.057424	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M-2H"	-2.014552
"446169"	233.089774	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M-2H"	-2.014552
"825063"	77.025074	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-2H"	-2.014552
"83963"	311.122124	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M-H"	-1.007276
"526803"	467.186824	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M-H"	-1.007276
"896336"	155.057424	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-H"	-1.007276
"47917"	328.148671	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M-2H+NH4"	16.019271
"489793"	484.213371	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M-2H+NH4"	16.019271
"874159"	172.083971	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-2H+NH4"	16.019271
"44614"	333.104066	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M-2H+Na"	20.974666
"483444"	489.168766	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M-2H+Na"	20.974666
"856142"	177.039366	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-2H+Na"	20.974666
"1623487"	177.039366	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Na-2H"	20.974666
"102203"	173.045763	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M-H+Cl"	33.962126
"543951"	251.078113	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M-H+Cl"	33.962126
"934184"	95.013413	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-H+Cl"	33.962126
"276023"	347.098802	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+Cl"	34.969402
"668446"	503.163502	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+Cl"	34.969402
"1281940"	191.034102	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Cl"	34.969402
"28868"	349.078006	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M-2H+K"	36.948606
"468431"	505.142706	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M-2H+K"	36.948606
"840765"	193.013306	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-2H+K"	36.948606
"1564254"	193.013306	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+K-2H"	36.948606
"948858"	201.062894	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-H+HCOOH"	44.998194
"365251"	357.127601	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+HCOOH-H"	44.998201
"348044"	371.143251	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+Hac-H"	59.013851
"1494325"	215.078551	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Hac-H"	59.013851
"960038"	223.044851	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-H+NaCOOH"	66.980151
"111624"	191.034102	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+2Cl"	69.938804
"551299"	269.066452	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+2Cl"	69.938804
"1024600"	113.001752	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2Cl"	69.938804
"1244178"	234.983585	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Br"	78.918885
"1306380"	237.039572	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Cl+HCOOH"	80.974872
"1320843"	259.021529	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Cl+NaCOOH"	102.956829
"912996"	269.050286	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M-H+CF3COOH"	112.985586
"1292253"	305.026964	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Cl+CF3COOH"	148.962264
"1372237"	121.052024	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H-2H2O"	-35.012676
"1387914"	139.062	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H-H2O"	-17.0027
"287239"	313.136676	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+H"	1.007276
"682942"	469.201376	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+H"	1.007276
"1364763"	157.071976	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H"	1.007276
"135100"	157.071976	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+2H"	2.014552
"577940"	235.104326	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+2H"	2.014552
"1043822"	79.039626	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2H"	2.014552
"208446"	105.050409333333	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+3H"	3.021828
"648004"	157.071976	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+3H"	3.021828
"1173784"	53.0288426666667	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+3H"	3.021828
"430498"	330.163223	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+NH4"	18.033823
"791497"	486.227923	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+NH4"	18.033823
"1695848"	174.098523	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+NH4"	18.033823
"336106"	165.5852495	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+H+NH4"	19.041099
"732902"	243.6175995	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+H+NH4"	19.041099
"1487815"	87.5528995	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H+NH4"	19.041099
"404309"	335.118618	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+Na"	22.989218
"763117"	491.183318	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+Na"	22.989218
"1612308"	179.053918	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Na"	22.989218
"320164"	168.062947	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+H+Na"	23.996494
"711489"	246.095297	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+H+Na"	23.996494
"1465309"	90.030597	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H+Na"	23.996494
"1055275"	60.3561566666667	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2H+Na"	25.00377
"1260232"	189.098186	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+CH3OH+H"	33.033486
"380995"	351.092558	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+K"	38.963158
"743085"	507.157258	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+K"	38.963158
"1542950"	195.027858	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+K"	38.963158
"305593"	176.049917	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+H+K"	39.970434
"698015"	254.082267	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+H+K"	39.970434
"1449655"	98.017567	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H+K"	39.970434
"239349"	354.163226	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+ACN+H"	42.033826
"1215339"	198.098526	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+ACN+H"	42.033826
"1199225"	99.552901	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+ACN+2H"	43.041102
"195372"	357.10056	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+2Na-H"	44.97116
"633839"	513.16526	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+2Na-H"	44.97116
"1137345"	201.03586	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2Na-H"	44.97116
"179543"	179.053918	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+2Na"	45.978436
"614362"	257.086268	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+2Na"	45.978436
"1126992"	101.021568	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2Na"	45.978436
"1406142"	67.6834706666667	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H+2Na"	46.985712
"1445068"	203.077446	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H+HCOOH"	47.012746
"233059"	184.08694	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+3H2O+2H"	56.04448
"1519301"	217.12949	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+IsoProp+H"	61.06479
"413522"	187.040888	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+Na+K"	61.952376
"772330"	265.073238	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+Na+K"	61.952376
"1667566"	109.008538	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Na+K"	61.952376
"256273"	376.145168	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+ACN+Na"	64.015768
"1232264"	220.080468	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+ACN+Na"	64.015768
"1716777"	220.103993	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+NH4+HCOOH"	64.039293
"1186506"	75.0107846666667	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+3Na"	68.967654
"1655305"	225.059388	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Na+HCOOH"	68.994688
"161072"	389.04844	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+2K-H"	76.91904
"601728"	545.11314	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+2K-H"	76.91904
"1093895"	232.98374	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2K-H"	76.91904
"150352"	195.027858	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"2M+2K"	77.926316
"586993"	273.060208	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"3M+2K"	77.926316
"1076973"	116.995508	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2K"	77.926316
"1106902"	234.998292	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2K+H"	78.933592
"1336726"	235.085907	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+DMSO+H"	79.021207
"1008536"	239.125076	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2ACN+H"	83.060376
"1524958"	240.118708	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+IsoProp+Na+H"	84.054008
"991279"	120.066176	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+2ACN+2H"	84.067652
"1587161"	241.033328	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+K+HCOOH"	84.968628
"1414402"	271.064838	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+H+CF3COOH"	115.000138
"1147086"	140.579451	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+3ACN+2H"	125.094202
"1704050"	288.091385	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+NH4+CF3COOH"	132.026685
"1640796"	293.04678	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+Na+CF3COOH"	136.98208
"1574260"	309.02072	"C06558"	"N-Ethylammelide;24-Dihydroxy-6-(N-ethyl)amino-135-triazine"	"C5H8N4O2"	"156.0647"	"M+K+CF3COOH"	152.95602
"813377"	187.0625	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M"	0
"985819"	168.04411	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-H2O-H"	-19.01839
"77343"	123.701057333333	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M-3H"	-3.021828
"515445"	186.055224	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M-3H"	-3.021828
"893613"	61.3468906666667	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-3H"	-3.021828
"10730"	186.055224	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M-2H"	-2.014552
"446279"	279.586474	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M-2H"	-2.014552
"821894"	92.523974	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-2H"	-2.014552
"82980"	373.117724	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M-H"	-1.007276
"526913"	560.180224	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M-H"	-1.007276
"897058"	186.055224	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-H"	-1.007276
"48517"	390.144271	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M-2H+NH4"	16.019271
"488810"	577.206771	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M-2H+NH4"	16.019271
"877552"	203.081771	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-2H+NH4"	16.019271
"46427"	395.099666	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M-2H+Na"	20.974666
"485378"	582.162166	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M-2H+Na"	20.974666
"860627"	208.037166	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-2H+Na"	20.974666
"1631255"	208.037166	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Na-2H"	20.974666
"106692"	204.043563	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M-H+Cl"	33.962126
"548804"	297.574813	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M-H+Cl"	33.962126
"937944"	110.512313	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-H+Cl"	33.962126
"279418"	409.094402	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+Cl"	34.969402
"671108"	596.156902	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+Cl"	34.969402
"1283144"	222.031902	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Cl"	34.969402
"27885"	411.073606	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M-2H+K"	36.948606
"468541"	598.136106	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M-2H+K"	36.948606
"845248"	224.011106	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-2H+K"	36.948606
"1567280"	224.011106	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+K-2H"	36.948606
"952248"	232.060694	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-H+HCOOH"	44.998194
"371556"	419.123201	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+HCOOH-H"	44.998201
"356536"	433.138851	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+Hac-H"	59.013851
"1498812"	246.076351	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Hac-H"	59.013851
"962345"	254.042651	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-H+NaCOOH"	66.980151
"114167"	222.031902	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+2Cl"	69.938804
"555915"	315.563152	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+2Cl"	69.938804
"1025440"	128.500652	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2Cl"	69.938804
"1249758"	265.981385	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Br"	78.918885
"1307829"	268.037372	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Cl+HCOOH"	80.974872
"1324966"	290.019329	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Cl+NaCOOH"	102.956829
"918576"	300.048086	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M-H+CF3COOH"	112.985586
"1292001"	336.024764	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Cl+CF3COOH"	148.962264
"1372715"	152.049824	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H-2H2O"	-35.012676
"1394588"	170.0598	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H-H2O"	-17.0027
"292819"	375.132276	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+H"	1.007276
"683053"	562.194776	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+H"	1.007276
"1364878"	188.069776	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H"	1.007276
"139586"	188.069776	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+2H"	2.014552
"575136"	281.601026	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+2H"	2.014552
"1043933"	94.538526	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2H"	2.014552
"211836"	125.715609333333	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+3H"	3.021828
"650301"	188.069776	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+3H"	3.021828
"1171706"	63.3614426666667	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+3H"	3.021828
"432795"	392.158823	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+NH4"	18.033823
"791607"	579.221323	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+NH4"	18.033823
"1695594"	205.096323	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+NH4"	18.033823
"335123"	196.5830495	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+H+NH4"	19.041099
"731920"	290.1142995	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+H+NH4"	19.041099
"1489020"	103.0517995	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H+NH4"	19.041099
"403327"	397.114218	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+Na"	22.989218
"765415"	584.176718	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+Na"	22.989218
"1616672"	210.051718	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Na"	22.989218
"320273"	199.060747	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+H+Na"	23.996494
"712691"	292.591997	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+H+Na"	23.996494
"1468698"	105.529497	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H+Na"	23.996494
"1060851"	70.6887566666667	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2H+Na"	25.00377
"1263622"	220.095986	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+CH3OH+H"	33.033486
"384385"	413.088158	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+K"	38.963158
"744288"	600.150658	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+K"	38.963158
"1549622"	226.025658	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+K"	38.963158
"307890"	207.047717	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+H+K"	39.970434
"702500"	300.578967	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+H+K"	39.970434
"1447579"	113.516467	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H+K"	39.970434
"241645"	416.158826	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+ACN+H"	42.033826
"1215450"	229.096326	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+ACN+H"	42.033826
"1200427"	115.051801	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+ACN+2H"	43.041102
"194389"	419.09616	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+2Na-H"	44.97116
"638325"	606.15866	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+2Na-H"	44.97116
"1135269"	232.03366	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2Na-H"	44.97116
"177466"	210.051718	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+2Na"	45.978436
"614108"	303.582968	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+2Na"	45.978436
"1118345"	116.520468	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2Na"	45.978436
"1405159"	78.0160706666667	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H+2Na"	46.985712
"1433993"	234.075246	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H+HCOOH"	47.012746
"233169"	215.08474	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+3H2O+2H"	56.04448
"1520869"	248.12729	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+IsoProp+H"	61.06479
"411446"	218.038688	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+Na+K"	61.952376
"777906"	311.569938	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+Na+K"	61.952376
"1667188"	124.507438	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Na+K"	61.952376
"254197"	438.140768	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+ACN+Na"	64.015768
"1232374"	251.078268	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+ACN+Na"	64.015768
"1715793"	251.101793	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+NH4+HCOOH"	64.039293
"1185522"	85.3433846666667	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+3Na"	68.967654
"1652134"	256.057188	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Na+HCOOH"	68.994688
"161182"	451.04404	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+2K-H"	76.91904
"601838"	638.10654	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+2K-H"	76.91904
"1094005"	263.98154	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2K-H"	76.91904
"149732"	226.025658	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"2M+2K"	77.926316
"587103"	319.556908	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"3M+2K"	77.926316
"1075990"	132.494408	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2K"	77.926316
"1101056"	265.996092	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2K+H"	78.933592
"1336102"	266.083707	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+DMSO+H"	79.021207
"1007301"	270.122876	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2ACN+H"	83.060376
"1525427"	271.116508	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+IsoProp+Na+H"	84.054008
"991635"	135.565076	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+2ACN+2H"	84.067652
"1587839"	272.031128	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+K+HCOOH"	84.968628
"1414594"	302.062638	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+H+CF3COOH"	115.000138
"1147430"	156.078351	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+3ACN+2H"	125.094202
"1705253"	319.089185	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+NH4+CF3COOH"	132.026685
"1637624"	324.04458	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+Na+CF3COOH"	136.98208
"1574370"	340.01852	"C06559"	"Deethylatrazine"	"C6H10ClN5"	"187.0625"	"M+K+CF3COOH"	152.95602
"813487"	145.0155	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M"	0
"988847"	125.99711	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-H2O-H"	-19.01839
"78446"	95.669724	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M-3H"	-3.021828
"517743"	144.008224	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M-3H"	-3.021828
"893357"	47.331224	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-3H"	-3.021828
"12663"	144.008224	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M-2H"	-2.014552
"449669"	216.515974	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M-2H"	-2.014552
"827106"	71.500474	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-2H"	-2.014552
"87464"	289.023724	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M-H"	-1.007276
"529210"	434.039224	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M-H"	-1.007276
"899356"	144.008224	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-H"	-1.007276
"47409"	306.050271	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M-2H+NH4"	16.019271
"488920"	451.065771	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M-2H+NH4"	16.019271
"868910"	161.034771	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-2H+NH4"	16.019271
"46823"	311.005666	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M-2H+Na"	20.974666
"485488"	456.021166	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M-2H+Na"	20.974666
"860008"	165.990166	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-2H+Na"	20.974666
"1628812"	165.990166	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Na-2H"	20.974666
"107530"	161.996563	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M-H+Cl"	33.962126
"548550"	234.504313	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M-H+Cl"	33.962126
"940243"	89.488813	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-H+Cl"	33.962126
"279528"	325.000402	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+Cl"	34.969402
"670125"	470.015902	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+Cl"	34.969402
"1283254"	179.984902	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Cl"	34.969402
"24715"	326.979606	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M-2H+K"	36.948606
"467558"	471.995106	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M-2H+K"	36.948606
"846818"	181.964106	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-2H+K"	36.948606
"1567755"	181.964106	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+K-2H"	36.948606
"952358"	190.013694	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-H+HCOOH"	44.998194
"369478"	335.029201	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+HCOOH-H"	44.998201
"356645"	349.044851	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+Hac-H"	59.013851
"1501109"	204.029351	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Hac-H"	59.013851
"968650"	211.995651	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-H+NaCOOH"	66.980151
"117559"	179.984902	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+2Cl"	69.938804
"552746"	252.492652	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+2Cl"	69.938804
"1027011"	107.477152	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2Cl"	69.938804
"1245498"	223.934385	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Br"	78.918885
"1307211"	225.990372	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Cl+HCOOH"	80.974872
"1326533"	247.972329	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Cl+NaCOOH"	102.956829
"920874"	258.001086	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M-H+CF3COOH"	112.985586
"1296489"	293.977764	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Cl+CF3COOH"	148.962264
"1372826"	110.002824	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H-2H2O"	-35.012676
"1392878"	128.0128	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H-H2O"	-17.0027
"297303"	291.038276	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+H"	1.007276
"689360"	436.053776	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+H"	1.007276
"1366569"	146.022776	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H"	1.007276
"140916"	146.022776	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+2H"	2.014552
"579622"	218.530526	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+2H"	2.014552
"1050970"	73.515026	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2H"	2.014552
"214133"	97.684276	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+3H"	3.021828
"658066"	146.022776	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+3H"	3.021828
"1176191"	49.345776	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+3H"	3.021828
"429627"	308.064823	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+NH4"	18.033823
"793904"	453.080323	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+NH4"	18.033823
"1696679"	163.049323	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+NH4"	18.033823
"342887"	154.5360495	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+H+NH4"	19.041099
"736405"	227.0437995	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+H+NH4"	19.041099
"1492537"	82.0282995	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H+NH4"	19.041099
"407569"	313.020218	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+Na"	22.989218
"768930"	458.035718	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+Na"	22.989218
"1618378"	168.004718	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Na"	22.989218
"324755"	157.013747	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+H+Na"	23.996494
"719363"	229.521497	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+H+Na"	23.996494
"1474279"	84.505997	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H+Na"	23.996494
"1062057"	56.67309	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2H+Na"	25.00377
"1264826"	178.048986	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+CH3OH+H"	33.033486
"386681"	328.994158	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+K"	38.963158
"752051"	474.009658	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+K"	38.963158
"1550825"	183.978658	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+K"	38.963158
"312739"	165.000717	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+H+K"	39.970434
"700423"	237.508467	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+H+K"	39.970434
"1450969"	92.492967	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H+K"	39.970434
"243944"	332.064826	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+ACN+H"	42.033826
"1216654"	187.049326	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+ACN+H"	42.033826
"1203817"	94.028301	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+ACN+2H"	43.041102
"198510"	335.00216	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+2Na-H"	44.97116
"638435"	480.01766	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+2Na-H"	44.97116
"1141940"	189.98666	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2Na-H"	44.97116
"184139"	168.004718	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+2Na"	45.978436
"623697"	240.512468	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+2Na"	45.978436
"1123199"	95.496968	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2Na"	45.978436
"1408550"	64.000404	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H+2Na"	46.985712
"1445490"	192.028246	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H+HCOOH"	47.012746
"235656"	173.03774	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+3H2O+2H"	56.04448
"1520980"	206.08029	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+IsoProp+H"	61.06479
"414835"	175.991688	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+Na+K"	61.952376
"775830"	248.499438	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+Na+K"	61.952376
"1666694"	103.483938	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Na+K"	61.952376
"256494"	354.046768	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+ACN+Na"	64.015768
"1236858"	209.031268	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+ACN+Na"	64.015768
"1716996"	209.054793	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+NH4+HCOOH"	64.039293
"1184539"	71.327718	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+3Na"	68.967654
"1658804"	214.010188	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Na+HCOOH"	68.994688
"165666"	366.95004	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+2K-H"	76.91904
"599760"	511.96554	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+2K-H"	76.91904
"1093022"	221.93454	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2K-H"	76.91904
"149842"	183.978658	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"2M+2K"	77.926316
"585026"	256.486408	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"3M+2K"	77.926316
"1072820"	111.470908	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2K"	77.926316
"1100800"	223.949092	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2K+H"	78.933592
"1336457"	224.036707	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+DMSO+H"	79.021207
"1006443"	228.075876	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2ACN+H"	83.060376
"1525659"	229.069508	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+IsoProp+Na+H"	84.054008
"992235"	114.541576	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+2ACN+2H"	84.067652
"1589287"	229.984128	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+K+HCOOH"	84.968628
"1415801"	260.015638	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+H+CF3COOH"	115.000138
"1147379"	135.054851	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+3ACN+2H"	125.094202
"1705363"	277.042185	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+NH4+CF3COOH"	132.026685
"1637734"	281.99758	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+Na+CF3COOH"	136.98208
"1574480"	297.97152	"C06560"	"Deisopropyldeethylatrazine"	"C3H4ClN5"	"145.0155"	"M+K+CF3COOH"	152.95602
"813597"	272.0685	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M"	0
"988956"	253.05011	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"74282"	180.371724	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"515301"	271.061224	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"892738"	89.682224	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"9127"	271.061224	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"446499"	407.095474	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"823207"	135.026974	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"84295"	543.129724	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"522760"	815.198224	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"898373"	271.061224	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"47155"	560.156271	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"492311"	832.224771	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"867926"	288.087771	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"41297"	565.111666	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"483411"	837.180166	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"858659"	293.043166	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1630016"	293.043166	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"106546"	289.049563	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"546837"	425.083813	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"938527"	153.015313	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"276354"	579.106402	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"667681"	851.174902	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1276439"	307.037902	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"25922"	581.085606	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"462929"	853.154106	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"842553"	309.017106	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1563491"	309.017106	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"952470"	317.066694	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"368859"	589.135201	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"355662"	603.150851	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1503408"	331.082351	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"965481"	339.048651	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"118761"	307.037902	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"558323"	443.072152	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1027121"	171.003652	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1248888"	350.987385	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1310604"	353.043372	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1326643"	375.025329	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"919889"	385.054086	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1299880"	421.030764	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1378042"	237.055824	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1391166"	255.0658	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"290853"	545.144276	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"688376"	817.212776	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1366968"	273.075776	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"140539"	273.075776	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"577546"	409.110026	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1049625"	137.041526	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"213150"	182.386276	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"652713"	273.075776	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1171931"	91.696776	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"430831"	562.170823	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"795107"	834.239323	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1695086"	290.102323	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"340810"	281.5890495	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"732138"	417.6232995	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1488146"	145.5547995	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"402451"	567.126218	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"764541"	839.194718	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1615920"	295.057718	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"320492"	284.066747	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"711820"	420.100997	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1468921"	148.032497	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1059979"	99.02409	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1262749"	305.101986	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"385699"	583.100158	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"745601"	855.168658	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1547654"	311.031658	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"303737"	292.053717	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"698347"	428.087967	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1449986"	156.019467	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"240775"	586.170826	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1217858"	314.102326	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1201740"	157.554801	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"197891"	589.10816	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"636359"	861.17666	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1140957"	317.03966	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"183158"	295.057718	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"623808"	431.091968	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1121123"	159.023468	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1407568"	106.351404	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1443331"	319.081246	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"233027"	300.09074	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1518176"	333.13329	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"418228"	303.044688	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"775940"	439.078938	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1668991"	167.010438	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"262071"	608.152768	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1235875"	336.084268	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1717106"	336.107793	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1184649"	113.678718	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1658915"	341.063188	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"170150"	621.05604	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"603150"	893.12454	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1092039"	348.98754	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"152138"	311.031658	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"585137"	447.065908	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1071837"	174.997408	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1100222"	351.002092	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1335836"	351.089707	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1005904"	355.128876	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1524355"	356.122508	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"993438"	178.068076	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1587815"	357.037128	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1414267"	387.068638	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1147408"	198.581351	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1698911"	404.095185	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1636020"	409.05058	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1574590"	425.02452	"C06561"	"Naringenin chalcone;2446-Tetrahydroxychalcone;Isosalipurpol;Chalconaringenin"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"813707"	290.079	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M"	0
"988335"	271.06061	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"74392"	192.378724	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"510672"	289.071724	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"890661"	95.685724	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"7050"	289.071724	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"446609"	434.111224	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"822224"	144.032224	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"83312"	579.150724	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"522870"	869.229724	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"899577"	289.071724	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"49578"	596.177271	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"492422"	886.256271	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"866943"	306.098271	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"41407"	601.132666	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"484249"	891.211666	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"858405"	311.053666	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1631949"	311.053666	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"106656"	307.060063	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"548285"	452.099563	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"942042"	162.020563	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"280963"	615.127402	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"671802"	905.206402	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1285663"	325.048402	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"26033"	617.106606	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"465591"	907.185606	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"841571"	327.027606	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1564329"	327.027606	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"953674"	335.077194	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"368969"	625.156201	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"355773"	639.171851	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1505341"	349.092851	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"970695"	357.059151	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"122153"	325.048402	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"559527"	470.087902	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1031605"	180.008902	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1247905"	368.997885	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1316546"	371.053872	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1331127"	393.035829	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"919999"	403.064586	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1296708"	439.041264	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1378152"	255.066324	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1394555"	273.0763	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"293147"	581.165276	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"690555"	871.244276	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1366552"	291.086276	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H"	1.007276
"141101"	291.086276	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"580450"	436.125776	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1052045"	146.046776	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"215448"	194.393276	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"656103"	291.086276	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1173135"	97.700276	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"432034"	598.191823	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"793031"	888.270823	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1695923"	308.112823	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"342013"	299.5995495	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"732247"	444.6390495	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1490443"	154.5600495	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"405842"	603.147218	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"765745"	893.226218	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1613843"	313.068218	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"321694"	302.077247	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"713023"	447.116747	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1466844"	157.037747	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1061182"	105.02759	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1263953"	323.112486	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"387997"	619.121158	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"744619"	909.200158	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1549951"	329.042158	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+K"	38.963158
"311501"	310.064217	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"699550"	455.103717	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1450095"	165.024717	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"239791"	622.191826	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1219061"	332.112826	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1204038"	166.560051	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"199096"	625.12916	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"637563"	915.20816	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1143255"	335.05016	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"184725"	313.068218	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"624649"	458.107718	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1120869"	168.028718	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1410958"	112.354904	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1444537"	337.091746	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"230582"	318.10124	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1521926"	351.14379	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"415055"	321.055188	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"777145"	466.094688	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1669099"	176.015688	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"255621"	644.173768	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1236714"	354.094768	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1717216"	354.118293	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1183665"	119.682218	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1654649"	359.073688	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"166979"	657.07704	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"602165"	947.15604	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1087046"	366.99804	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"149333"	329.042158	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"582328"	474.081658	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1069760"	184.002658	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1101993"	369.012592	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1337164"	369.100207	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1006907"	373.139376	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1525275"	374.133008	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"992452"	187.073326	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1589140"	375.047628	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1416991"	405.079138	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1148371"	207.586601	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1697193"	422.105685	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1636859"	427.06108	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1574700"	443.03502	"C06562"	"()-Catechin;D-Catechin;Cyanidanol;(2R-trans)-2-(34-Dihydroxyphenyl)-34-dihydro-2H-1-benzopyran-357-triol;(2R3S)-Catechin;(2R3S)-()-Catechin;Cianidanol"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"815644"	270.0528	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M"	0
"985167"	251.03441	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"74505"	179.027924	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"509691"	269.045524	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"891867"	89.010324	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"7162"	269.045524	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"450003"	404.071924	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"827804"	134.019124	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"87795"	539.098324	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"528450"	809.151124	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"899690"	269.045524	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"54065"	556.124871	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"495813"	826.177671	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"872523"	286.072071	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"40424"	561.080266	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"485452"	831.133066	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"856695"	291.027466	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1624040"	291.027466	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"104942"	287.033863	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"549123"	422.060263	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"940205"	152.007463	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"280949"	575.075002	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"673370"	845.127802	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1285773"	305.022202	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"28330"	577.054206	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"463878"	847.107006	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"841680"	307.001406	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1564075"	307.001406	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"954512"	315.050994	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"369079"	585.103801	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"351504"	599.119451	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1503991"	329.066651	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"970805"	337.032951	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"123721"	305.022202	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"559637"	440.048602	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1032444"	169.995802	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1250202"	348.971685	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1317750"	351.027672	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1331236"	373.009629	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"919016"	383.038386	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1295725"	419.015064	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1380449"	235.040124	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1395759"	253.0501	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"292893"	541.112876	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"688960"	811.165676	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1366418"	271.060076	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"141002"	271.060076	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"581365"	406.086476	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1052479"	136.033676	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"214465"	181.042476	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"656212"	271.060076	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1174338"	91.024876	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"429958"	558.139423	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"796422"	828.192223	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1693847"	288.086623	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"339938"	279.5733495	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"734912"	414.5997495	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1489460"	144.5469495	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"408141"	563.094818	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"765855"	833.147618	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1613953"	293.042018	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"325087"	282.051047	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"712042"	417.077447	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1466956"	147.024647	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1061294"	98.35219	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1265160"	303.086286	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"385921"	579.068758	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"746915"	849.121558	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1550062"	309.015958	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"307237"	290.038017	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"701848"	425.064417	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1457859"	155.011617	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"243182"	582.139426	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1220994"	312.086626	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1204146"	156.546951	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"199206"	585.07676	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"640588"	855.12956	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1138998"	315.02396	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"179371"	293.042018	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"620387"	428.068418	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1120615"	158.015618	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1405598"	105.679504	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1443184"	317.065546	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"235622"	298.07504	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1522036"	331.11759	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"418447"	301.028988	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"779443"	436.055388	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1676503"	166.002588	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"254638"	604.121368	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1232815"	334.068568	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1720607"	334.092093	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1184866"	113.006818	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1659133"	339.047488	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"164901"	617.02464	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"602280"	887.07744	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1088981"	346.97184	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"149808"	309.015958	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"586451"	444.042358	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1074244"	173.989558	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1101986"	348.986392	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1337397"	349.074007	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1007139"	353.113176	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1526357"	354.106808	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"992563"	177.060226	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1588645"	355.021428	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1421479"	385.052938	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1151038"	197.573501	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1702413"	402.079485	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1641346"	407.03488	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1572987"	423.00882	"C06563"	"Genistein;574-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"816237"	359.1151	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M"	0
"988557"	340.09671	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-H2O-H"	-19.01839
"71336"	238.402790666667	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M-3H"	-3.021828
"515268"	358.107824	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M-3H"	-3.021828
"893071"	118.697757333333	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-3H"	-3.021828
"7273"	358.107824	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M-2H"	-2.014552
"454488"	537.665374	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M-2H"	-2.014552
"831196"	178.550274	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-2H"	-2.014552
"90092"	717.222924	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M-H"	-1.007276
"533544"	1076.338024	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M-H"	-1.007276
"906361"	358.107824	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-H"	-1.007276
"62077"	734.249471	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M-2H+NH4"	16.019271
"499205"	1093.364571	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M-2H+NH4"	16.019271
"873726"	375.134371	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-2H+NH4"	16.019271
"41627"	739.204866	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M-2H+Na"	20.974666
"486871"	1098.319966	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M-2H+Na"	20.974666
"864089"	380.089766	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-2H+Na"	20.974666
"1633875"	380.089766	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Na-2H"	20.974666
"109469"	376.096163	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M-H+Cl"	33.962126
"549764"	555.653713	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M-H+Cl"	33.962126
"942552"	196.538613	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-H+Cl"	33.962126
"282525"	753.199602	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+Cl"	34.969402
"674456"	1112.314702	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+Cl"	34.969402
"1284791"	394.084502	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Cl"	34.969402
"28439"	755.178806	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M-2H+K"	36.948606
"464717"	1114.293906	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M-2H+K"	36.948606
"843613"	396.063706	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-2H+K"	36.948606
"1563821"	396.063706	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+K-2H"	36.948606
"951703"	404.113294	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-H+HCOOH"	44.998194
"372106"	763.228401	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+HCOOH-H"	44.998201
"350522"	777.244051	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+Hac-H"	59.013851
"1502637"	418.128951	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Hac-H"	59.013851
"974171"	426.095251	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-H+NaCOOH"	66.980151
"122738"	394.084502	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+2Cl"	69.938804
"560477"	573.642052	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+2Cl"	69.938804
"1035109"	214.526952	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2Cl"	69.938804
"1252500"	438.033985	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Br"	78.918885
"1312758"	440.089972	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Cl+HCOOH"	80.974872
"1332077"	462.071929	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Cl+NaCOOH"	102.956829
"924230"	472.100686	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M-H+CF3COOH"	112.985586
"1300210"	508.077364	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Cl+CF3COOH"	148.962264
"1380195"	324.102424	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H-2H2O"	-35.012676
"1395869"	342.1124	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H-H2O"	-17.0027
"295554"	719.237476	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+H"	1.007276
"689070"	1078.352576	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+H"	1.007276
"1367019"	360.122376	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H"	1.007276
"140504"	360.122376	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+2H"	2.014552
"581036"	539.679926	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+2H"	2.014552
"1052471"	180.564826	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2H"	2.014552
"214576"	240.417342666667	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+3H"	3.021828
"654137"	360.122376	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+3H"	3.021828
"1175541"	120.712309333333	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+3H"	3.021828
"431526"	736.264023	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+NH4"	18.033823
"797625"	1095.379123	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+NH4"	18.033823
"1694325"	377.148923	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+NH4"	18.033823
"342967"	368.6356495	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+H+NH4"	19.041099
"736481"	548.1931995	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+H+NH4"	19.041099
"1490665"	189.0780995	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H+NH4"	19.041099
"406792"	741.219418	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+Na"	22.989218
"768152"	1100.334518	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+Na"	22.989218
"1618155"	382.104318	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Na"	22.989218
"327384"	371.113347	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+H+Na"	23.996494
"712514"	550.670897	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+H+Na"	23.996494
"1465972"	191.555797	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H+Na"	23.996494
"1060312"	128.039623333333	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2H+Na"	25.00377
"1268551"	392.148586	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+CH3OH+H"	33.033486
"386032"	757.193358	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+K"	38.963158
"751401"	1116.308458	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+K"	38.963158
"1549079"	398.078258	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+K"	38.963158
"310629"	379.100317	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+H+K"	39.970434
"700866"	558.657867	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+H+K"	39.970434
"1455783"	199.542767	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H+K"	39.970434
"244385"	760.264026	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+ACN+H"	42.033826
"1221467"	401.148926	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+ACN+H"	42.033826
"1206444"	201.078101	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+ACN+2H"	43.041102
"199316"	763.20136	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+2Na-H"	44.97116
"641429"	1122.31646	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+2Na-H"	44.97116
"1144207"	404.08626	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2Na-H"	44.97116
"182397"	382.104318	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+2Na"	45.978436
"620863"	561.661868	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+2Na"	45.978436
"1125465"	202.546768	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2Na"	45.978436
"1407895"	135.366937333333	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H+2Na"	46.985712
"1442201"	406.127846	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H+HCOOH"	47.012746
"235193"	387.13734	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+3H2O+2H"	56.04448
"1523859"	420.17989	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+IsoProp+H"	61.06479
"419650"	390.091288	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+Na+K"	61.952376
"779554"	569.648838	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+Na+K"	61.952376
"1678071"	210.533738	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Na+K"	61.952376
"259121"	782.245968	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+ACN+Na"	64.015768
"1237299"	423.130868	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+ACN+Na"	64.015768
"1725091"	423.154393	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+NH4+HCOOH"	64.039293
"1187165"	142.694251333333	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+3Na"	68.967654
"1659246"	428.109788	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Na+HCOOH"	68.994688
"167201"	795.14924	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+2K-H"	76.91904
"606757"	1154.26434	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+2K-H"	76.91904
"1087997"	436.03414	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2K-H"	76.91904
"147001"	398.078258	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"2M+2K"	77.926316
"583640"	577.635808	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"3M+2K"	77.926316
"1075448"	218.520708	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2K"	77.926316
"1102096"	438.048692	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2K+H"	78.933592
"1338842"	438.136307	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+DMSO+H"	79.021207
"1008101"	442.175476	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2ACN+H"	83.060376
"1526225"	443.169108	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+IsoProp+Na+H"	84.054008
"993767"	221.591376	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+2ACN+2H"	84.067652
"1591550"	444.083728	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+K+HCOOH"	84.968628
"1415755"	474.115238	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+H+CF3COOH"	115.000138
"1149688"	242.104651	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+3ACN+2H"	125.094202
"1702523"	491.141785	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+NH4+CF3COOH"	132.026685
"1641456"	496.09718	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+Na+CF3COOH"	136.98208
"1572732"	512.07112	"C06564"	"Penicillin N;Adicillin"	"C14H21N3O6S"	"359.1151"	"M+K+CF3COOH"	152.95602
"815496"	357.0995	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M"	0
"987572"	338.08111	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-H2O-H"	-19.01839
"77886"	237.059057333333	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M-3H"	-3.021828
"517929"	356.092224	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M-3H"	-3.021828
"892088"	118.025890666667	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-3H"	-3.021828
"11757"	356.092224	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M-2H"	-2.014552
"455548"	534.641974	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M-2H"	-2.014552
"832036"	177.542474	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-2H"	-2.014552
"90567"	713.191724	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M-H"	-1.007276
"533777"	1070.291224	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M-H"	-1.007276
"908658"	356.092224	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-H"	-1.007276
"62553"	730.218271	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M-2H+NH4"	16.019271
"500653"	1087.317771	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M-2H+NH4"	16.019271
"873836"	373.118771	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-2H+NH4"	16.019271
"41737"	735.173666	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M-2H+Na"	20.974666
"487010"	1092.273166	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M-2H+Na"	20.974666
"863849"	378.074166	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-2H+Na"	20.974666
"1633996"	378.074166	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Na-2H"	20.974666
"109968"	374.080563	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M-H+Cl"	33.962126
"549629"	552.630313	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M-H+Cl"	33.962126
"942697"	195.530813	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-H+Cl"	33.962126
"282602"	749.168402	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+Cl"	34.969402
"674566"	1106.267902	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+Cl"	34.969402
"1287777"	392.068902	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Cl"	34.969402
"26362"	751.147606	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M-2H+K"	36.948606
"460455"	1108.247106	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M-2H+K"	36.948606
"842630"	394.048106	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-2H+K"	36.948606
"1563931"	394.048106	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+K-2H"	36.948606
"950720"	402.097694	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-H+HCOOH"	44.998194
"371123"	759.197201	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+HCOOH-H"	44.998201
"349539"	773.212851	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+Hac-H"	59.013851
"1502747"	416.113351	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Hac-H"	59.013851
"974029"	424.079651	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-H+NaCOOH"	66.980151
"124430"	392.068902	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+2Cl"	69.938804
"555482"	570.618652	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+2Cl"	69.938804
"1033028"	213.519152	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2Cl"	69.938804
"1249327"	436.018385	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Br"	78.918885
"1310682"	438.074372	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Cl+HCOOH"	80.974872
"1327084"	460.056329	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Cl+NaCOOH"	102.956829
"919237"	470.085086	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M-H+CF3COOH"	112.985586
"1300320"	506.061764	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Cl+CF3COOH"	148.962264
"1381034"	322.086824	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H-2H2O"	-35.012676
"1392697"	340.0968	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H-H2O"	-17.0027
"293477"	715.206276	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+H"	1.007276
"690031"	1072.305776	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+H"	1.007276
"1366640"	358.106776	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H"	1.007276
"140737"	358.106776	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+2H"	2.014552
"580172"	536.656526	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+2H"	2.014552
"1052382"	179.557026	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2H"	2.014552
"217966"	239.073609333333	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+3H"	3.021828
"656433"	358.106776	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+3H"	3.021828
"1174558"	120.040442666667	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+3H"	3.021828
"431272"	732.232823	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+NH4"	18.033823
"796642"	1089.332323	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+NH4"	18.033823
"1694434"	375.133323	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+NH4"	18.033823
"342712"	366.6200495	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+H+NH4"	19.041099
"736836"	545.1697995	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+H+NH4"	19.041099
"1491505"	188.0702995	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H+NH4"	19.041099
"406902"	737.188218	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+Na"	22.989218
"768141"	1094.287718	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+Na"	22.989218
"1616240"	380.088718	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Na"	22.989218
"324214"	369.097747	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+H+Na"	23.996494
"711167"	547.647497	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+H+Na"	23.996494
"1463894"	190.547997	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H+Na"	23.996494
"1059328"	127.367756666667	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2H+Na"	25.00377
"1266475"	390.132986	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+CH3OH+H"	33.033486
"386142"	753.162158	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+K"	38.963158
"750418"	1110.261658	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+K"	38.963158
"1547003"	396.062658	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+K"	38.963158
"306367"	377.084717	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+H+K"	39.970434
"700976"	555.634467	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+H+K"	39.970434
"1458080"	198.534967	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H+K"	39.970434
"242308"	756.232826	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+ACN+H"	42.033826
"1219390"	399.133326	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+ACN+H"	42.033826
"1209476"	200.070301	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+ACN+2H"	43.041102
"199426"	759.17016	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+2Na-H"	44.97116
"641173"	1116.26966	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+2Na-H"	44.97116
"1143224"	402.07066	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2Na-H"	44.97116
"183599"	380.088718	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+2Na"	45.978436
"620974"	558.638468	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+2Na"	45.978436
"1125575"	201.538968	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2Na"	45.978436
"1408005"	134.695070666667	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H+2Na"	46.985712
"1442311"	404.112246	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H+HCOOH"	47.012746
"235531"	385.12174	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+3H2O+2H"	56.04448
"1523728"	418.16429	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+IsoProp+H"	61.06479
"419760"	388.075688	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+Na+K"	61.952376
"780757"	566.625438	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+Na+K"	61.952376
"1675994"	209.525938	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Na+K"	61.952376
"263604"	778.214768	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+ACN+Na"	64.015768
"1236314"	421.115268	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+ACN+Na"	64.015768
"1724109"	421.138793	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+NH4+HCOOH"	64.039293
"1187273"	142.022384666667	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+3Na"	68.967654
"1654984"	426.094188	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Na+HCOOH"	68.994688
"165125"	791.11804	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+2K-H"	76.91904
"602860"	1148.21754	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+2K-H"	76.91904
"1085553"	434.01854	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2K-H"	76.91904
"147111"	396.062658	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"2M+2K"	77.926316
"582051"	574.612408	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"3M+2K"	77.926316
"1072278"	217.512908	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2K"	77.926316
"1103299"	436.033092	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2K+H"	78.933592
"1339681"	436.120707	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+DMSO+H"	79.021207
"1010398"	440.159876	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2ACN+H"	83.060376
"1526335"	441.153508	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+IsoProp+Na+H"	84.054008
"994970"	220.583576	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+2ACN+2H"	84.067652
"1587528"	442.068128	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+K+HCOOH"	84.968628
"1416594"	472.099638	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+H+CF3COOH"	115.000138
"1149067"	241.096851	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+3ACN+2H"	125.094202
"1702633"	489.126185	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+NH4+CF3COOH"	132.026685
"1641566"	494.08158	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+Na+CF3COOH"	136.98208
"1572114"	510.05552	"C06565"	"Deacetoxycephalosporin C;DAOC"	"C14H19N3O6S"	"357.0995"	"M+K+CF3COOH"	152.95602
"816337"	446.1107	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M"	0
"989387"	427.09231	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-H2O-H"	-19.01839
"77956"	296.399857333333	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M-3H"	-3.021828
"517799"	445.103424	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M-3H"	-3.021828
"893293"	147.696290666667	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-3H"	-3.021828
"15199"	445.103424	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M-2H"	-2.014552
"455156"	668.158774	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M-2H"	-2.014552
"829226"	222.048074	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-2H"	-2.014552
"90677"	891.214124	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M-H"	-1.007276
"531943"	1337.324824	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M-H"	-1.007276
"906581"	445.103424	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-H"	-1.007276
"61689"	908.240671	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M-2H+NH4"	16.019271
"501006"	1354.351371	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M-2H+NH4"	16.019271
"879053"	462.129971	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-2H+NH4"	16.019271
"45131"	913.196066	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M-2H+Na"	20.974666
"486514"	1359.306766	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M-2H+Na"	20.974666
"861396"	467.085366	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-2H+Na"	20.974666
"1633608"	467.085366	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Na-2H"	20.974666
"109286"	463.091763	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M-H+Cl"	33.962126
"547631"	686.147113	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M-H+Cl"	33.962126
"940781"	240.036413	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-H+Cl"	33.962126
"282621"	927.190802	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+Cl"	34.969402
"674313"	1373.301502	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+Cl"	34.969402
"1286834"	481.080102	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Cl"	34.969402
"26472"	929.170006	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M-2H+K"	36.948606
"463845"	1375.280706	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M-2H+K"	36.948606
"842740"	483.059306	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-2H+K"	36.948606
"1567321"	483.059306	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+K-2H"	36.948606
"950830"	491.108894	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-H+HCOOH"	44.998194
"371234"	937.219601	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+HCOOH-H"	44.998201
"350742"	951.235251	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+Hac-H"	59.013851
"1503952"	505.124551	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Hac-H"	59.013851
"970040"	513.090851	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-H+NaCOOH"	66.980151
"121864"	481.080102	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+2Cl"	69.938804
"551216"	704.135452	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+2Cl"	69.938804
"1025484"	258.024752	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2Cl"	69.938804
"1248343"	525.029585	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Br"	78.918885
"1308605"	527.085572	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Cl+HCOOH"	80.974872
"1327194"	549.067529	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Cl+NaCOOH"	102.956829
"914973"	559.096286	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M-H+CF3COOH"	112.985586
"1300431"	595.072964	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Cl+CF3COOH"	148.962264
"1379684"	411.098024	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H-2H2O"	-35.012676
"1389527"	429.108	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H-H2O"	-17.0027
"287027"	893.228676	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+H"	1.007276
"687103"	1339.339376	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+H"	1.007276
"1366587"	447.117976	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H"	1.007276
"141179"	447.117976	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+2H"	2.014552
"580739"	670.173326	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+2H"	2.014552
"1052247"	224.062626	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2H"	2.014552
"215890"	298.414409333333	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+3H"	3.021828
"655450"	447.117976	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+3H"	3.021828
"1176854"	149.710842666667	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+3H"	3.021828
"430653"	910.255223	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+NH4"	18.033823
"790919"	1356.365923	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+NH4"	18.033823
"1695518"	464.144523	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+NH4"	18.033823
"343186"	455.6312495	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+H+NH4"	19.041099
"736336"	678.6865995	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+H+NH4"	19.041099
"1491375"	232.5758995	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H+NH4"	19.041099
"407747"	915.210618	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+Na"	22.989218
"765092"	1361.321318	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+Na"	22.989218
"1616108"	469.099918	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Na"	22.989218
"323229"	458.108947	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+H+Na"	23.996494
"712373"	681.164297	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+H+Na"	23.996494
"1464733"	235.053597	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H+Na"	23.996494
"1062719"	157.038156666667	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2H+Na"	25.00377
"1268772"	479.144186	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+CH3OH+H"	33.033486
"382972"	931.184558	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+K"	38.963158
"750528"	1377.295258	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+K"	38.963158
"1550393"	485.073858	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+K"	38.963158
"307571"	466.095917	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+H+K"	39.970434
"704367"	689.151267	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+H+K"	39.970434
"1459528"	243.040567	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H+K"	39.970434
"247886"	934.255226	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+ACN+H"	42.033826
"1224241"	488.144526	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+ACN+H"	42.033826
"1208494"	244.575901	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+ACN+2H"	43.041102
"199536"	937.19256	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+2Na-H"	44.97116
"640191"	1383.30326	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+2Na-H"	44.97116
"1143696"	491.08186	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2Na-H"	44.97116
"180428"	469.099918	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+2Na"	45.978436
"626553"	692.155268	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+2Na"	45.978436
"1122404"	246.044568	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2Na"	45.978436
"1408115"	164.365470666667	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H+2Na"	46.985712
"1442422"	493.123446	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H+HCOOH"	47.012746
"234922"	474.13294	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+3H2O+2H"	56.04448
"1522744"	507.17549	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+IsoProp+H"	61.06479
"420964"	477.086888	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+Na+K"	61.952376
"784273"	700.142238	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+Na+K"	61.952376
"1676104"	254.031538	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Na+K"	61.952376
"264443"	956.237168	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+ACN+Na"	64.015768
"1237157"	510.126468	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+ACN+Na"	64.015768
"1719846"	510.149993	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+NH4+HCOOH"	64.039293
"1185198"	171.692784666667	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+3Na"	68.967654
"1654000"	515.105388	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Na+HCOOH"	68.994688
"163048"	969.14044	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+2K-H"	76.91904
"601877"	1415.25114	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+2K-H"	76.91904
"1088212"	523.02974	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2K-H"	76.91904
"146129"	485.073858	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"2M+2K"	77.926316
"582160"	708.129208	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"3M+2K"	77.926316
"1073481"	262.018508	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2K"	77.926316
"1102316"	525.044292	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2K+H"	78.933592
"1338697"	525.131907	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+DMSO+H"	79.021207
"1008321"	529.171076	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2ACN+H"	83.060376
"1525351"	530.164708	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+IsoProp+Na+H"	84.054008
"992893"	265.089176	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+2ACN+2H"	84.067652
"1590677"	531.079328	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+K+HCOOH"	84.968628
"1421809"	561.110838	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+H+CF3COOH"	115.000138
"1149181"	285.602451	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+3ACN+2H"	125.094202
"1701650"	578.137385	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+NH4+CF3COOH"	132.026685
"1639489"	583.09278	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+Na+CF3COOH"	136.98208
"1573317"	599.06672	"C06566"	"Cephamycin C"	"C16H22N4O9S"	"446.1107"	"M+K+CF3COOH"	152.95602
"808790"	416.1002	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M"	0
"989252"	397.08181	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-H2O-H"	-19.01839
"73848"	276.392857333333	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M-3H"	-3.021828
"515596"	415.092924	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M-3H"	-3.021828
"894984"	137.692790666667	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-3H"	-3.021828
"14774"	415.092924	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M-2H"	-2.014552
"454822"	623.143024	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M-2H"	-2.014552
"829336"	207.042824	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-2H"	-2.014552
"92977"	831.193124	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M-H"	-1.007276
"532780"	1247.293324	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M-H"	-1.007276
"906691"	415.092924	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-H"	-1.007276
"62047"	848.219671	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M-2H+NH4"	16.019271
"498443"	1264.319871	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M-2H+NH4"	16.019271
"879040"	432.119471	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-2H+NH4"	16.019271
"45726"	853.175066	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M-2H+Na"	20.974666
"486301"	1269.275266	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M-2H+Na"	20.974666
"863331"	437.074866	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-2H+Na"	20.974666
"1633357"	437.074866	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Na-2H"	20.974666
"109358"	433.081263	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M-H+Cl"	33.962126
"547984"	641.131363	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M-H+Cl"	33.962126
"941865"	225.031163	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-H+Cl"	33.962126
"282129"	867.169802	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+Cl"	34.969402
"673572"	1283.270002	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+Cl"	34.969402
"1287679"	451.069602	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Cl"	34.969402
"30352"	869.149006	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M-2H+K"	36.948606
"466142"	1285.249206	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M-2H+K"	36.948606
"843944"	453.048806	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-2H+K"	36.948606
"1565245"	453.048806	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+K-2H"	36.948606
"948754"	461.098394	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-H+HCOOH"	44.998194
"371343"	877.198601	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+HCOOH-H"	44.998201
"357784"	891.214251	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+Hac-H"	59.013851
"1504064"	475.114051	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Hac-H"	59.013851
"968328"	483.080351	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-H+NaCOOH"	66.980151
"120516"	451.069602	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+2Cl"	69.938804
"553516"	659.119702	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+2Cl"	69.938804
"1027782"	243.019502	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2Cl"	69.938804
"1251735"	495.019085	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Br"	78.918885
"1307623"	497.075072	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Cl+HCOOH"	80.974872
"1326212"	519.057029	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Cl+NaCOOH"	102.956829
"919457"	529.085786	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M-H+CF3COOH"	112.985586
"1302728"	565.062464	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Cl+CF3COOH"	148.962264
"1382687"	381.087524	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H-2H2O"	-35.012676
"1396197"	399.0975	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H-H2O"	-17.0027
"290417"	833.207676	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+H"	1.007276
"686121"	1249.307876	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+H"	1.007276
"1366852"	417.107476	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H"	1.007276
"140115"	417.107476	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+2H"	2.014552
"580882"	625.157576	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+2H"	2.014552
"1052108"	209.057376	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2H"	2.014552
"218795"	278.407409333333	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+3H"	3.021828
"656652"	417.107476	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+3H"	3.021828
"1172593"	139.707342666667	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+3H"	3.021828
"430763"	850.234223	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+NH4"	18.033823
"795769"	1266.334423	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+NH4"	18.033823
"1696357"	434.134023	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+NH4"	18.033823
"343662"	425.6207495	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+H+NH4"	19.041099
"736810"	633.6708495	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+H+NH4"	19.041099
"1492092"	217.5706495	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H+NH4"	19.041099
"408427"	855.189618	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+Na"	22.989218
"766295"	1271.289818	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+Na"	22.989218
"1607838"	439.089418	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Na"	22.989218
"321152"	428.098447	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+H+Na"	23.996494
"712487"	636.148547	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+H+Na"	23.996494
"1466306"	220.048347	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H+Na"	23.996494
"1060643"	147.034656666667	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2H+Na"	25.00377
"1269975"	449.133686	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+CH3OH+H"	33.033486
"386362"	871.163558	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+K"	38.963158
"750638"	1287.263758	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+K"	38.963158
"1555125"	455.063358	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+K"	38.963158
"309868"	436.085417	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+H+K"	39.970434
"706428"	644.135517	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+H+K"	39.970434
"1456113"	228.035317	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H+K"	39.970434
"250552"	874.234226	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+ACN+H"	42.033826
"1224602"	458.134026	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+ACN+H"	42.033826
"1202400"	229.570651	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+ACN+2H"	43.041102
"200742"	877.17156	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+2Na-H"	44.97116
"642371"	1293.27176	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+2Na-H"	44.97116
"1141621"	461.07136	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2Na-H"	44.97116
"181632"	439.089418	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+2Na"	45.978436
"621192"	647.139518	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+2Na"	45.978436
"1121783"	231.039318	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2Na"	45.978436
"1413585"	154.361970666667	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H+2Na"	46.985712
"1442532"	463.112946	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H+HCOOH"	47.012746
"232956"	444.12244	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+3H2O+2H"	56.04448
"1522608"	477.16499	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+IsoProp+H"	61.06479
"423507"	447.076388	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+Na+K"	61.952376
"785233"	655.126488	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+Na+K"	61.952376
"1680593"	239.026288	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Na+K"	61.952376
"260544"	896.216168	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+ACN+Na"	64.015768
"1236535"	480.115968	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+ACN+Na"	64.015768
"1722142"	480.139493	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+NH4+HCOOH"	64.039293
"1184218"	161.689284666667	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+3Na"	68.967654
"1657390"	485.094888	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Na+HCOOH"	68.994688
"160243"	909.11944	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+2K-H"	76.91904
"600894"	1325.21964	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+2K-H"	76.91904
"1089423"	493.01924	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2K-H"	76.91904
"147332"	455.063358	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"2M+2K"	77.926316
"583611"	663.113458	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"3M+2K"	77.926316
"1073591"	247.013258	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2K"	77.926316
"1103520"	495.033792	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2K+H"	78.933592
"1338808"	495.121407	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+DMSO+H"	79.021207
"1009526"	499.160576	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2ACN+H"	83.060376
"1527647"	500.154208	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+IsoProp+Na+H"	84.054008
"994097"	250.083926	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+2ACN+2H"	84.067652
"1590792"	501.068828	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+K+HCOOH"	84.968628
"1421919"	531.100338	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+H+CF3COOH"	115.000138
"1149292"	270.597201	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+3ACN+2H"	125.094202
"1701760"	548.126885	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+NH4+CF3COOH"	132.026685
"1639599"	553.08228	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+Na+CF3COOH"	136.98208
"1571969"	569.05622	"C06568"	"O-Carbamoyl-deacetylcephalosporin C"	"C15H20N4O8S"	"416.1002"	"M+K+CF3COOH"	152.95602
"805620"	432.0951	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M"	0
"989365"	413.07671	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-H2O-H"	-19.01839
"73958"	287.056124	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M-3H"	-3.021828
"515342"	431.087824	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M-3H"	-3.021828
"894607"	143.024424	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-3H"	-3.021828
"14154"	431.087824	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M-2H"	-2.014552
"455050"	647.135374	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M-2H"	-2.014552
"831635"	215.040274	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-2H"	-2.014552
"93086"	863.182924	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M-H"	-1.007276
"533740"	1295.278024	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M-H"	-1.007276
"906801"	431.087824	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-H"	-1.007276
"62031"	880.209471	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M-2H+NH4"	16.019271
"496365"	1312.304571	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M-2H+NH4"	16.019271
"870886"	448.114371	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-2H+NH4"	16.019271
"42068"	885.164866	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M-2H+Na"	20.974666
"486126"	1317.259966	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M-2H+Na"	20.974666
"862591"	453.069766	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-2H+Na"	20.974666
"1626777"	453.069766	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Na-2H"	20.974666
"109138"	449.076163	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M-H+Cl"	33.962126
"549801"	665.123713	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M-H+Cl"	33.962126
"942459"	233.028613	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-H+Cl"	33.962126
"282318"	899.159602	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+Cl"	34.969402
"674775"	1331.254702	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+Cl"	34.969402
"1287056"	467.064502	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Cl"	34.969402
"30704"	901.138806	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M-2H+K"	36.948606
"464066"	1333.233906	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M-2H+K"	36.948606
"841867"	469.043706	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-2H+K"	36.948606
"1564262"	469.043706	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+K-2H"	36.948606
"948864"	477.093294	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-H+HCOOH"	44.998194
"365983"	909.188401	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+HCOOH-H"	44.998201
"356436"	923.204051	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+Hac-H"	59.013851
"1503080"	491.108951	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Hac-H"	59.013851
"969897"	499.075251	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-H+NaCOOH"	66.980151
"121720"	467.064502	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+2Cl"	69.938804
"551560"	683.112052	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+2Cl"	69.938804
"1024612"	251.016952	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2Cl"	69.938804
"1247470"	511.013985	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Br"	78.918885
"1305544"	513.069972	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Cl+HCOOH"	80.974872
"1321947"	535.051929	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Cl+NaCOOH"	102.956829
"919567"	545.080686	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M-H+CF3COOH"	112.985586
"1298464"	581.057364	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Cl+CF3COOH"	148.962264
"1376624"	397.082424	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H-2H2O"	-35.012676
"1389747"	415.0924	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H-H2O"	-17.0027
"287247"	865.197476	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+H"	1.007276
"686960"	1297.292576	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+H"	1.007276
"1366880"	433.102376	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H"	1.007276
"140704"	433.102376	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+2H"	2.014552
"580133"	649.149926	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+2H"	2.014552
"1052460"	217.054826	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2H"	2.014552
"219023"	289.070676	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+3H"	3.021828
"656396"	433.102376	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+3H"	3.021828
"1168329"	145.038976	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+3H"	3.021828
"433790"	882.224023	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+NH4"	18.033823
"794785"	1314.319123	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+NH4"	18.033823
"1696221"	450.128923	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+NH4"	18.033823
"343772"	441.6156495	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+H+NH4"	19.041099
"737772"	657.6631995	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+H+NH4"	19.041099
"1488918"	225.5680995	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H+NH4"	19.041099
"406503"	887.179418	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+Na"	22.989218
"765312"	1319.274518	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+Na"	22.989218
"1610134"	455.084318	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Na"	22.989218
"321262"	444.093347	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+H+Na"	23.996494
"714783"	660.140897	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+H+Na"	23.996494
"1468603"	228.045797	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H+Na"	23.996494
"1062939"	152.36629	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2H+Na"	25.00377
"1270085"	465.128586	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+CH3OH+H"	33.033486
"386472"	903.153358	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+K"	38.963158
"752934"	1335.248458	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+K"	38.963158
"1555354"	471.058258	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+K"	38.963158
"309977"	452.080317	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+H+K"	39.970434
"706902"	668.127867	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+H+K"	39.970434
"1456223"	236.032767	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H+K"	39.970434
"250296"	906.224026	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+ACN+H"	42.033826
"1225075"	474.128926	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+ACN+H"	42.033826
"1200323"	237.568101	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+ACN+2H"	43.041102
"199757"	909.16136	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+2Na-H"	44.97116
"642845"	1341.25646	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+2Na-H"	44.97116
"1141731"	477.06626	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2Na-H"	44.97116
"180648"	455.084318	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+2Na"	45.978436
"624947"	671.131868	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+2Na"	45.978436
"1119341"	239.036768	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2Na"	45.978436
"1403959"	159.693604	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H+2Na"	46.985712
"1441548"	479.107846	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H+HCOOH"	47.012746
"232337"	460.11734	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+3H2O+2H"	56.04448
"1522959"	493.15989	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+IsoProp+H"	61.06479
"423618"	463.071288	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+Na+K"	61.952376
"784250"	679.118838	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+Na+K"	61.952376
"1679852"	247.023738	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Na+K"	61.952376
"260655"	928.205968	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+ACN+Na"	64.015768
"1236645"	496.110868	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+ACN+Na"	64.015768
"1723345"	496.134393	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+NH4+HCOOH"	64.039293
"1185421"	167.020918	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+3Na"	68.967654
"1657500"	501.089788	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Na+HCOOH"	68.994688
"163268"	941.10924	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+2K-H"	76.91904
"603189"	1373.20434	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+2K-H"	76.91904
"1085884"	509.01414	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2K-H"	76.91904
"141728"	471.058258	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"2M+2K"	77.926316
"585902"	687.105808	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"3M+2K"	77.926316
"1068840"	255.010708	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2K"	77.926316
"1102537"	511.028692	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2K+H"	78.933592
"1341104"	511.116307	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+DMSO+H"	79.021207
"1011822"	515.155476	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2ACN+H"	83.060376
"1526664"	516.149108	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+IsoProp+Na+H"	84.054008
"993114"	258.081376	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+2ACN+2H"	84.067652
"1591994"	517.063728	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+K+HCOOH"	84.968628
"1419842"	547.095238	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+H+CF3COOH"	115.000138
"1150131"	278.594651	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+3ACN+2H"	125.094202
"1701870"	564.121785	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+NH4+CF3COOH"	132.026685
"1640802"	569.07718	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+Na+CF3COOH"	136.98208
"1571512"	585.05112	"C06569"	"7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C"	"C15H20N4O9S"	"432.0951"	"M+K+CF3COOH"	152.95602
"805730"	444.1533	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M"	0
"989636"	425.13491	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-H2O-H"	-19.01839
"74068"	295.094924	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M-3H"	-3.021828
"515816"	443.146024	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M-3H"	-3.021828
"895206"	147.043824	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-3H"	-3.021828
"15117"	443.146024	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M-2H"	-2.014552
"454674"	665.222674	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M-2H"	-2.014552
"831746"	221.069374	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-2H"	-2.014552
"93319"	887.299324	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M-H"	-1.007276
"533244"	1331.452624	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M-H"	-1.007276
"906911"	443.146024	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-H"	-1.007276
"59103"	904.325871	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M-2H+NH4"	16.019271
"494288"	1348.479171	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M-2H+NH4"	16.019271
"868809"	460.172571	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-2H+NH4"	16.019271
"42178"	909.281266	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M-2H+Na"	20.974666
"485994"	1353.434566	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M-2H+Na"	20.974666
"860634"	465.127966	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-2H+Na"	20.974666
"1630167"	465.127966	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Na-2H"	20.974666
"107424"	461.134363	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M-H+Cl"	33.962126
"549175"	683.211013	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M-H+Cl"	33.962126
"941716"	239.057713	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-H+Cl"	33.962126
"282775"	923.276002	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+Cl"	34.969402
"674520"	1367.429302	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+Cl"	34.969402
"1287166"	479.122702	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Cl"	34.969402
"29963"	925.255206	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M-2H+K"	36.948606
"465269"	1369.408506	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M-2H+K"	36.948606
"843070"	481.101906	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-2H+K"	36.948606
"1564372"	481.101906	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+K-2H"	36.948606
"950066"	489.151494	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-H+HCOOH"	44.998194
"366093"	933.304801	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+HCOOH-H"	44.998201
"357639"	947.320451	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+Hac-H"	59.013851
"1504283"	503.167151	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Hac-H"	59.013851
"970370"	511.133451	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-H+NaCOOH"	66.980151
"120736"	479.122702	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+2Cl"	69.938804
"560296"	701.199352	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+2Cl"	69.938804
"1024722"	257.046052	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2Cl"	69.938804
"1244300"	523.072185	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Br"	78.918885
"1306748"	525.128172	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Cl+HCOOH"	80.974872
"1323151"	547.110129	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Cl+NaCOOH"	102.956829
"917491"	557.138886	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M-H+CF3COOH"	112.985586
"1296387"	593.115564	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Cl+CF3COOH"	148.962264
"1376735"	409.140624	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H-2H2O"	-35.012676
"1389855"	427.1506	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H-H2O"	-17.0027
"290636"	889.313876	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+H"	1.007276
"679777"	1333.467176	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+H"	1.007276
"1361595"	445.160576	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H"	1.007276
"140937"	445.160576	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+2H"	2.014552
"574046"	667.237226	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+2H"	2.014552
"1050138"	223.083926	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2H"	2.014552
"219134"	297.109476	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+3H"	3.021828
"654684"	445.160576	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+3H"	3.021828
"1170625"	149.058376	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+3H"	3.021828
"432805"	906.340423	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+NH4"	18.033823
"793802"	1350.493723	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+NH4"	18.033823
"1693416"	462.187123	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+NH4"	18.033823
"341696"	453.6738495	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+H+NH4"	19.041099
"734114"	675.7504995	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+H+NH4"	19.041099
"1485748"	231.5971995	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H+NH4"	19.041099
"402240"	911.295818	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+Na"	22.989218
"765422"	1355.449118	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+Na"	22.989218
"1605869"	467.142518	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Na"	22.989218
"318093"	456.151547	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+H+Na"	23.996494
"711611"	678.228197	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+H+Na"	23.996494
"1465431"	234.074897	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H+Na"	23.996494
"1054666"	156.38569	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2H+Na"	25.00377
"1268008"	477.186786	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+CH3OH+H"	33.033486
"389862"	927.269758	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+K"	38.963158
"749764"	1371.423058	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+K"	38.963158
"1548536"	483.116458	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+K"	38.963158
"306807"	464.138517	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+H+K"	39.970434
"693766"	686.215167	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+H+K"	39.970434
"1450866"	242.061867	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H+K"	39.970434
"246758"	930.340426	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+ACN+H"	42.033826
"1222021"	486.187126	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+ACN+H"	42.033826
"1199340"	243.597201	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+ACN+2H"	43.041102
"198773"	933.27776	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+2Na-H"	44.97116
"637239"	1377.43106	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+2Na-H"	44.97116
"1139655"	489.12446	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2Na-H"	44.97116
"177477"	467.142518	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+2Na"	45.978436
"624693"	689.219168	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+2Na"	45.978436
"1118359"	245.065868	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2Na"	45.978436
"1402976"	163.713004	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H+2Na"	46.985712
"1439471"	491.166046	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H+HCOOH"	47.012746
"223699"	472.17554	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+3H2O+2H"	56.04448
"1521608"	505.21809	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+IsoProp+H"	61.06479
"423240"	475.129488	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+Na+K"	61.952376
"785332"	697.206138	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+Na+K"	61.952376
"1681056"	253.052838	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Na+K"	61.952376
"266726"	952.322368	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+ACN+Na"	64.015768
"1234568"	508.169068	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+ACN+Na"	64.015768
"1723456"	508.192593	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+NH4+HCOOH"	64.039293
"1186624"	171.040318	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+3Na"	68.967654
"1656516"	513.147988	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Na+HCOOH"	68.994688
"163381"	965.22564	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+2K-H"	76.91904
"601114"	1409.37894	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+2K-H"	76.91904
"1087454"	521.07234	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2K-H"	76.91904
"142077"	483.116458	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"2M+2K"	77.926316
"582854"	705.193108	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"3M+2K"	77.926316
"1069070"	261.039808	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2K"	77.926316
"1103740"	523.086892	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2K+H"	78.933592
"1340121"	523.174507	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+DMSO+H"	79.021207
"1009746"	527.213676	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2ACN+H"	83.060376
"1526774"	528.207308	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+IsoProp+Na+H"	84.054008
"991159"	264.110476	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+2ACN+2H"	84.067652
"1591011"	529.121928	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+K+HCOOH"	84.968628
"1418859"	559.153438	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+H+CF3COOH"	115.000138
"1151334"	284.623751	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+3ACN+2H"	125.094202
"1701980"	576.179985	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+NH4+CF3COOH"	132.026685
"1640912"	581.13538	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+Na+CF3COOH"	136.98208
"1571379"	597.10932	"C06570"	"Tetracycline"	"C22H24N2O8"	"444.1533"	"M+K+CF3COOH"	152.95602
"805840"	478.1143	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M"	0
"989462"	459.09591	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-H2O-H"	-19.01839
"75271"	317.735590666667	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M-3H"	-3.021828
"515926"	477.107024	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M-3H"	-3.021828
"890448"	158.364157333333	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-3H"	-3.021828
"15554"	477.107024	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M-2H"	-2.014552
"454055"	716.164174	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M-2H"	-2.014552
"832218"	238.049874	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-2H"	-2.014552
"93305"	955.221324	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M-H"	-1.007276
"532500"	1433.335624	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M-H"	-1.007276
"907021"	477.107024	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-H"	-1.007276
"62131"	972.247871	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M-2H+NH4"	16.019271
"494398"	1450.362171	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M-2H+NH4"	16.019271
"872199"	494.133571	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-2H+NH4"	16.019271
"45568"	977.203266	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M-2H+Na"	20.974666
"486306"	1455.317566	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M-2H+Na"	20.974666
"863662"	499.088966	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-2H+Na"	20.974666
"1630277"	499.088966	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Na-2H"	20.974666
"107900"	495.095363	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M-H+Cl"	33.962126
"548434"	734.152513	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M-H+Cl"	33.962126
"942396"	256.038213	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-H+Cl"	33.962126
"282209"	991.198002	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+Cl"	34.969402
"674389"	1469.312302	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+Cl"	34.969402
"1288435"	513.083702	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Cl"	34.969402
"30197"	993.177206	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M-2H+K"	36.948606
"466473"	1471.291506	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M-2H+K"	36.948606
"844274"	515.062906	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-2H+K"	36.948606
"1568856"	515.062906	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+K-2H"	36.948606
"951271"	523.112494	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-H+HCOOH"	44.998194
"366205"	1001.226801	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+HCOOH-H"	44.998201
"359937"	1015.242451	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+Hac-H"	59.013851
"1505127"	537.128151	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Hac-H"	59.013851
"972305"	545.094451	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-H+NaCOOH"	66.980151
"118662"	513.083702	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+2Cl"	69.938804
"556033"	752.140852	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+2Cl"	69.938804
"1025926"	274.026552	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2Cl"	69.938804
"1247690"	557.033185	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Br"	78.918885
"1309046"	559.089172	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Cl+HCOOH"	80.974872
"1324353"	581.071129	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Cl+NaCOOH"	102.956829
"921974"	591.099886	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M-H+CF3COOH"	112.985586
"1298684"	627.076564	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Cl+CF3COOH"	148.962264
"1376844"	443.101624	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H-2H2O"	-35.012676
"1389965"	461.1116	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H-H2O"	-17.0027
"290746"	957.235876	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+H"	1.007276
"682074"	1435.350176	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+H"	1.007276
"1361705"	479.121576	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H"	1.007276
"141341"	479.121576	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+2H"	2.014552
"574156"	718.178726	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+2H"	2.014552
"1049518"	240.064426	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2H"	2.014552
"217419"	319.750142666667	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+3H"	3.021828
"652606"	479.121576	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+3H"	3.021828
"1176204"	160.378709333333	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+3H"	3.021828
"430726"	974.262423	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+NH4"	18.033823
"799380"	1452.376723	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+NH4"	18.033823
"1696077"	496.148123	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+NH4"	18.033823
"344241"	487.6348495	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+H+NH4"	19.041099
"736050"	726.6919995	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+H+NH4"	19.041099
"1488048"	248.5776995	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H+NH4"	19.041099
"403447"	979.217818	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+Na"	22.989218
"768452"	1457.332118	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+Na"	22.989218
"1609260"	501.103518	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Na"	22.989218
"321483"	490.112547	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+H+Na"	23.996494
"711721"	729.169697	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+H+Na"	23.996494
"1465541"	251.055397	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H+Na"	23.996494
"1056599"	167.706023333333	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2H+Na"	25.00377
"1270670"	511.147786	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+CH3OH+H"	33.033486
"388879"	995.191758	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+K"	38.963158
"750239"	1473.306058	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+K"	38.963158
"1551561"	517.077458	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+K"	38.963158
"309104"	498.099517	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+H+K"	39.970434
"701529"	737.156667	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+H+K"	39.970434
"1458265"	259.042367	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H+K"	39.970434
"248690"	998.262426	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+ACN+H"	42.033826
"1223224"	520.148126	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+ACN+H"	42.033826
"1198356"	260.577701	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+ACN+2H"	43.041102
"201074"	1001.19976	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+2Na-H"	44.97116
"640629"	1479.31406	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+2Na-H"	44.97116
"1142681"	523.08546	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2Na-H"	44.97116
"180867"	501.103518	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+2Na"	45.978436
"622613"	740.160668	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+2Na"	45.978436
"1125029"	262.046368	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2Na"	45.978436
"1410376"	175.033337333333	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H+2Na"	46.985712
"1441768"	525.127046	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H+HCOOH"	47.012746
"230369"	506.13654	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+3H2O+2H"	56.04448
"1524032"	539.17909	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+IsoProp+H"	61.06479
"424040"	509.090488	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+Na+K"	61.952376
"785320"	748.147638	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+Na+K"	61.952376
"1680560"	270.033338	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Na+K"	61.952376
"266348"	1020.244368	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+ACN+Na"	64.015768
"1234676"	542.130068	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+ACN+Na"	64.015768
"1719192"	542.153593	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+NH4+HCOOH"	64.039293
"1186731"	182.360651333333	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+3Na"	68.967654
"1656624"	547.108988	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Na+HCOOH"	68.994688
"161304"	1033.14764	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+2K-H"	76.91904
"600860"	1511.26194	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+2K-H"	76.91904
"1085860"	555.03334	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2K-H"	76.91904
"142918"	517.077458	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"2M+2K"	77.926316
"582476"	756.134608	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"3M+2K"	77.926316
"1071733"	278.020308	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2K"	77.926316
"1101781"	557.047892	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2K+H"	78.933592
"1340231"	557.135507	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+DMSO+H"	79.021207
"1008763"	561.174676	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2ACN+H"	83.060376
"1525181"	562.168308	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+IsoProp+Na+H"	84.054008
"993334"	281.090976	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+2ACN+2H"	84.067652
"1592214"	563.082928	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+K+HCOOH"	84.968628
"1417873"	593.114438	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+H+CF3COOH"	115.000138
"1151444"	301.604251	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+3ACN+2H"	125.094202
"1702090"	610.140985	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+NH4+CF3COOH"	132.026685
"1639929"	615.09638	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+Na+CF3COOH"	136.98208
"1572299"	631.07032	"C06571"	"Chlortetracycline;7-Chlorotetracycline;Aureomycin"	"C22H23ClN2O8"	"478.1143"	"M+K+CF3COOH"	152.95602
"809230"	925.5035	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M"	0
"984953"	906.48511	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-H2O-H"	-19.01839
"74288"	615.995057333333	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M-3H"	-3.021828
"514942"	924.496224	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M-3H"	-3.021828
"885091"	307.493890666667	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-3H"	-3.021828
"2573"	924.496224	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M-2H"	-2.014552
"442497"	1387.247974	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M-2H"	-2.014552
"822122"	461.744474	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-2H"	-2.014552
"82112"	1849.999724	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M-H"	-1.007276
"524953"	2775.503224	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M-H"	-1.007276
"902753"	924.496224	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-H"	-1.007276
"56040"	1867.026271	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M-2H+NH4"	16.019271
"492317"	2792.529771	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M-2H+NH4"	16.019271
"869027"	941.522771	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-2H+NH4"	16.019271
"34741"	1871.981666	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M-2H+Na"	20.974666
"476490"	2797.485166	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M-2H+Na"	20.974666
"854293"	946.478166	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-2H+Na"	20.974666
"1622732"	946.478166	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Na-2H"	20.974666
"101448"	942.484563	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M-H+Cl"	33.962126
"547570"	1405.236313	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M-H+Cl"	33.962126
"938898"	479.732813	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-H+Cl"	33.962126
"280738"	1885.976402	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+Cl"	34.969402
"673162"	2811.479902	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+Cl"	34.969402
"1287021"	960.472902	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Cl"	34.969402
"28117"	1887.955606	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M-2H+K"	36.948606
"464395"	2813.459106	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M-2H+K"	36.948606
"844384"	962.452106	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-2H+K"	36.948606
"1568966"	962.452106	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+K-2H"	36.948606
"951381"	970.501694	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-H+HCOOH"	44.998194
"367409"	1896.005201	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+HCOOH-H"	44.998201
"359683"	1910.020851	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+Hac-H"	59.013851
"1505965"	984.517351	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Hac-H"	59.013851
"971321"	992.483651	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-H+NaCOOH"	66.980151
"118772"	960.472902	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+2Cl"	69.938804
"556143"	1423.224652	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+2Cl"	69.938804
"1026036"	497.721152	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2Cl"	69.938804
"1247801"	1004.422385	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Br"	78.918885
"1309156"	1006.478372	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Cl+HCOOH"	80.974872
"1321184"	1028.460329	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Cl+NaCOOH"	102.956829
"920990"	1038.489086	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M-H+CF3COOH"	112.985586
"1297700"	1074.465764	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Cl+CF3COOH"	148.962264
"1376954"	890.490824	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H-2H2O"	-35.012676
"1395542"	908.5008	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H-H2O"	-17.0027
"288669"	1852.014276	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+H"	1.007276
"677811"	2777.517776	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+H"	1.007276
"1361815"	926.510776	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H"	1.007276
"141346"	926.510776	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+2H"	2.014552
"572080"	1389.262526	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+2H"	2.014552
"1046348"	463.759026	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2H"	2.014552
"217165"	618.009609333333	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+3H"	3.021828
"651623"	926.510776	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+3H"	3.021828
"1174128"	309.508442666667	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+3H"	3.021828
"434846"	1869.040823	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+NH4"	18.033823
"799490"	2794.544323	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+NH4"	18.033823
"1696188"	943.537323	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+NH4"	18.033823
"344473"	935.0240495	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+H+NH4"	19.041099
"737253"	1397.7757995	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+H+NH4"	19.041099
"1489250"	472.2722995	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H+NH4"	19.041099
"403557"	1873.996218	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+Na"	22.989218
"767105"	2799.499718	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+Na"	22.989218
"1607183"	948.492718	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Na"	22.989218
"323780"	937.501747	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+H+Na"	23.996494
"710738"	1400.253497	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+H+Na"	23.996494
"1465651"	474.749997	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H+Na"	23.996494
"1056709"	316.835756666667	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2H+Na"	25.00377
"1270050"	958.536986	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+CH3OH+H"	33.033486
"390448"	1889.970158	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+K"	38.963158
"751443"	2815.473658	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+K"	38.963158
"1552400"	964.466658	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+K"	38.963158
"309944"	945.488717	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+H+K"	39.970434
"702729"	1408.240467	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+H+K"	39.970434
"1458012"	482.736967	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H+K"	39.970434
"248073"	1893.040826	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+ACN+H"	42.033826
"1221872"	967.537326	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+ACN+H"	42.033826
"1196280"	484.272301	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+ACN+2H"	43.041102
"197900"	1895.97816	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+2Na-H"	44.97116
"636367"	2821.48166	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+2Na-H"	44.97116
"1134409"	970.47466	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2Na-H"	44.97116
"184257"	948.492718	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+2Na"	45.978436
"619444"	1411.244468	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+2Na"	45.978436
"1119672"	485.740968	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2Na"	45.978436
"1409757"	324.163070666667	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H+2Na"	46.985712
"1441878"	972.516246	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H+HCOOH"	47.012746
"228292"	953.52574	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+3H2O+2H"	56.04448
"1523286"	986.56829	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+IsoProp+H"	61.06479
"424227"	956.479688	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+Na+K"	61.952376
"785605"	1419.231438	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+Na+K"	61.952376
"1680869"	493.727938	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Na+K"	61.952376
"265729"	1915.022768	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+ACN+Na"	64.015768
"1241184"	989.519268	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+ACN+Na"	64.015768
"1720395"	989.542793	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+NH4+HCOOH"	64.039293
"1183562"	331.490384666667	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+3Na"	68.967654
"1653455"	994.498188	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Na+HCOOH"	68.994688
"160321"	1927.92604	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+2K-H"	76.91904
"599511"	2853.42954	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+2K-H"	76.91904
"1084630"	1002.42254	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2K-H"	76.91904
"141812"	964.466658	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"2M+2K"	77.926316
"581736"	1427.218408	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"3M+2K"	77.926316
"1069042"	501.714908	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2K"	77.926316
"1100551"	1004.437092	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2K+H"	78.933592
"1339250"	1004.524707	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+DMSO+H"	79.021207
"1009966"	1008.563876	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2ACN+H"	83.060376
"1525171"	1009.557508	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+IsoProp+Na+H"	84.054008
"993443"	504.785576	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+2ACN+2H"	84.067652
"1591231"	1010.472128	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+K+HCOOH"	84.968628
"1419076"	1040.503638	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+H+CF3COOH"	115.000138
"1151554"	525.298851	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+3ACN+2H"	125.094202
"1702200"	1057.530185	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+NH4+CF3COOH"	132.026685
"1640039"	1062.48558	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+Na+CF3COOH"	136.98208
"1572045"	1078.45952	"C06572"	"Nystatin"	"C47H75NO17"	"925.5035"	"M+K+CF3COOH"	152.95602
"809340"	923.4879	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M"	0
"989316"	904.46951	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-H2O-H"	-19.01839
"77318"	614.651324	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M-3H"	-3.021828
"517485"	922.480624	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M-3H"	-3.021828
"895044"	306.822024	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-3H"	-3.021828
"8149"	922.480624	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M-2H"	-2.014552
"446617"	1384.224574	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M-2H"	-2.014552
"828792"	460.736674	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-2H"	-2.014552
"87690"	1845.968524	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M-H"	-1.007276
"528343"	2769.456424	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M-H"	-1.007276
"905050"	922.480624	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-H"	-1.007276
"58337"	1862.995071	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M-2H+NH4"	16.019271
"492791"	2786.482971	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M-2H+NH4"	16.019271
"869865"	939.507171	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-2H+NH4"	16.019271
"37038"	1867.950466	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M-2H+Na"	20.974666
"484254"	2791.438366	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M-2H+Na"	20.974666
"860963"	944.462566	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-2H+Na"	20.974666
"1628309"	944.462566	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Na-2H"	20.974666
"109215"	940.468963	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M-H+Cl"	33.962126
"548654"	1402.212913	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M-H+Cl"	33.962126
"941075"	478.725013	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-H+Cl"	33.962126
"279755"	1881.945202	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+Cl"	34.969402
"673147"	2805.433102	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+Cl"	34.969402
"1284576"	958.457302	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Cl"	34.969402
"29320"	1883.924406	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M-2H+K"	36.948606
"465598"	2807.412306	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M-2H+K"	36.948606
"844494"	960.436506	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-2H+K"	36.948606
"1565796"	960.436506	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+K-2H"	36.948606
"948210"	968.486094	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-H+HCOOH"	44.998194
"366059"	1891.974001	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+HCOOH-H"	44.998201
"355782"	1905.989651	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+Hac-H"	59.013851
"1506075"	982.501751	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Hac-H"	59.013851
"973618"	990.468051	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-H+NaCOOH"	66.980151
"121798"	958.457302	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+2Cl"	69.938804
"562450"	1420.201252	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+2Cl"	69.938804
"1028333"	496.713352	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2Cl"	69.938804
"1254107"	1002.406785	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Br"	78.918885
"1316920"	1004.462772	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Cl+HCOOH"	80.974872
"1326761"	1026.444729	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Cl+NaCOOH"	102.956829
"922194"	1036.473486	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M-H+CF3COOH"	112.985586
"1303035"	1072.450164	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Cl+CF3COOH"	148.962264
"1380223"	888.475224	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H-2H2O"	-35.012676
"1395652"	906.4852	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H-H2O"	-17.0027
"288779"	1847.983076	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+H"	1.007276
"681200"	2771.470976	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+H"	1.007276
"1363018"	924.495176	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H"	1.007276
"140285"	924.495176	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+2H"	2.014552
"575468"	1386.239126	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+2H"	2.014552
"1042082"	462.751226	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2H"	2.014552
"207796"	616.665876	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+3H"	3.021828
"650638"	924.495176	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+3H"	3.021828
"1173145"	308.836576	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+3H"	3.021828
"434227"	1865.009623	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+NH4"	18.033823
"799600"	2788.497523	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+NH4"	18.033823
"1694839"	941.521723	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+NH4"	18.033823
"344219"	933.0084495	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+H+NH4"	19.041099
"735541"	1394.7523995	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+H+NH4"	19.041099
"1489360"	471.2644995	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H+NH4"	19.041099
"406218"	1869.965018	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+Na"	22.989218
"767578"	2793.452918	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+Na"	22.989218
"1607294"	946.477118	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Na"	22.989218
"320611"	935.486147	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+H+Na"	23.996494
"713036"	1397.230097	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+H+Na"	23.996494
"1463210"	473.742197	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H+Na"	23.996494
"1061193"	316.16389	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2H+Na"	25.00377
"1269431"	956.521386	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+CH3OH+H"	33.033486
"389099"	1885.938958	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+K"	38.963158
"749729"	2809.426858	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+K"	38.963158
"1547771"	962.451058	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+K"	38.963158
"310783"	943.473117	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+H+K"	39.970434
"702839"	1405.217067	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+H+K"	39.970434
"1458121"	481.729167	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H+K"	39.970434
"248547"	1889.009626	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+ACN+H"	42.033826
"1221982"	965.521726	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+ACN+H"	42.033826
"1204044"	483.264501	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+ACN+2H"	43.041102
"196916"	1891.94696	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+2Na-H"	44.97116
"637571"	2815.43486	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+2Na-H"	44.97116
"1143266"	968.45906	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2Na-H"	44.97116
"184367"	946.477118	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+2Na"	45.978436
"619554"	1408.221068	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+2Na"	45.978436
"1126342"	484.733168	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2Na"	45.978436
"1405492"	323.491204	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H+2Na"	46.985712
"1441988"	970.500646	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H+HCOOH"	47.012746
"227309"	951.51014	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+3H2O+2H"	56.04448
"1521941"	984.55269	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+IsoProp+H"	61.06479
"423694"	954.464088	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+Na+K"	61.952376
"783720"	1416.208038	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+Na+K"	61.952376
"1677862"	492.720138	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Na+K"	61.952376
"264747"	1910.991568	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+ACN+Na"	64.015768
"1240978"	987.503668	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+ACN+Na"	64.015768
"1723786"	987.527193	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+NH4+HCOOH"	64.039293
"1187683"	330.818518	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+3Na"	68.967654
"1656846"	992.482588	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Na+HCOOH"	68.994688
"161524"	1923.89484	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+2K-H"	76.91904
"602175"	2847.38274	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+2K-H"	76.91904
"1087780"	1000.40694	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2K-H"	76.91904
"145691"	962.451058	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"2M+2K"	77.926316
"585250"	1424.195008	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"3M+2K"	77.926316
"1071950"	500.707108	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2K"	77.926316
"1101026"	1002.421492	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2K+H"	78.933592
"1338264"	1002.509107	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+DMSO+H"	79.021207
"1010075"	1006.548276	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2ACN+H"	83.060376
"1526012"	1007.541908	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+IsoProp+Na+H"	84.054008
"991367"	503.777776	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+2ACN+2H"	84.067652
"1591341"	1008.456528	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+K+HCOOH"	84.968628
"1418093"	1038.488038	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+H+CF3COOH"	115.000138
"1151664"	524.291051	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+3ACN+2H"	125.094202
"1702310"	1055.514585	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+NH4+CF3COOH"	132.026685
"1640149"	1060.46998	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+Na+CF3COOH"	136.98208
"1571548"	1076.44392	"C06573"	"Amphotericin B"	"C47H73NO17"	"923.4879"	"M+K+CF3COOH"	152.95602
"809450"	349.1096	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M"	0
"987359"	330.09121	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-H2O-H"	-19.01839
"77183"	231.732457333333	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M-3H"	-3.021828
"517473"	348.102324	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M-3H"	-3.021828
"893693"	115.362590666667	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-3H"	-3.021828
"10446"	348.102324	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M-2H"	-2.014552
"446727"	522.657124	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M-2H"	-2.014552
"829995"	173.547524	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-2H"	-2.014552
"87800"	697.211924	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M-H"	-1.007276
"528453"	1046.321524	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M-H"	-1.007276
"901880"	348.102324	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-H"	-1.007276
"60271"	714.238471	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M-2H+NH4"	16.019271
"492902"	1063.348071	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M-2H+NH4"	16.019271
"869975"	365.128871	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-2H+NH4"	16.019271
"37512"	719.193866	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M-2H+Na"	20.974666
"483271"	1068.303466	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M-2H+Na"	20.974666
"861803"	370.084266	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-2H+Na"	20.974666
"1631337"	370.084266	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Na-2H"	20.974666
"106047"	366.090663	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M-H+Cl"	33.962126
"545608"	540.645463	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M-H+Cl"	33.962126
"939487"	191.535863	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-H+Cl"	33.962126
"281203"	733.188602	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+Cl"	34.969402
"673378"	1082.298202	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+Cl"	34.969402
"1286509"	384.079002	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Cl"	34.969402
"29430"	735.167806	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M-2H+K"	36.948606
"466801"	1084.277406	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M-2H+K"	36.948606
"845697"	386.058206	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-2H+K"	36.948606
"1564813"	386.058206	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+K-2H"	36.948606
"948320"	394.107794	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-H+HCOOH"	44.998194
"366535"	743.217401	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+HCOOH-H"	44.998201
"356984"	757.233051	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+Hac-H"	59.013851
"1505817"	408.123451	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Hac-H"	59.013851
"972881"	416.089751	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-H+NaCOOH"	66.980151
"121909"	384.079002	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+2Cl"	69.938804
"563655"	558.633802	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+2Cl"	69.938804
"1035008"	209.524202	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2Cl"	69.938804
"1251302"	428.028485	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Br"	78.918885
"1314844"	430.084472	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Cl+HCOOH"	80.974872
"1333433"	452.066429	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Cl+NaCOOH"	102.956829
"925585"	462.095186	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M-H+CF3COOH"	112.985586
"1303632"	498.071864	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Cl+CF3COOH"	148.962264
"1381548"	314.096924	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H-2H2O"	-35.012676
"1395762"	332.1069	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H-H2O"	-17.0027
"292169"	699.226476	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+H"	1.007276
"679122"	1048.336076	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+H"	1.007276
"1360944"	350.116876	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H"	1.007276
"139301"	350.116876	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+2H"	2.014552
"574488"	524.671676	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+2H"	2.014552
"1043285"	175.562076	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2H"	2.014552
"210092"	233.747009333333	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+3H"	3.021828
"651112"	350.116876	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+3H"	3.021828
"1173255"	117.377142666667	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+3H"	3.021828
"431056"	716.253023	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+NH4"	18.033823
"797160"	1065.362623	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+NH4"	18.033823
"1692764"	367.143423	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+NH4"	18.033823
"343233"	358.6301495	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+H+NH4"	19.041099
"731278"	533.1849495	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+H+NH4"	19.041099
"1486190"	184.0753495	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H+NH4"	19.041099
"402684"	721.208418	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+Na"	22.989218
"764773"	1070.318018	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+Na"	22.989218
"1606311"	372.098818	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Na"	22.989218
"319625"	361.107847	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+H+Na"	23.996494
"714239"	535.662647	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+H+Na"	23.996494
"1462956"	186.553047	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H+Na"	23.996494
"1061303"	124.704456666667	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2H+Na"	25.00377
"1265167"	382.143086	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+CH3OH+H"	33.033486
"391396"	737.182358	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+K"	38.963158
"752390"	1086.291958	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+K"	38.963158
"1548974"	388.072758	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+K"	38.963158
"309434"	369.094817	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+H+K"	39.970434
"705503"	543.649617	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+H+K"	39.970434
"1458961"	194.540017	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H+K"	39.970434
"246831"	740.253026	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+ACN+H"	42.033826
"1218080"	391.143426	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+ACN+H"	42.033826
"1205615"	196.075351	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+ACN+2H"	43.041102
"198120"	743.19036	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+2Na-H"	44.97116
"634400"	1092.29996	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+2Na-H"	44.97116
"1146051"	394.08076	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2Na-H"	44.97116
"181197"	372.098818	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+2Na"	45.978436
"619664"	546.653618	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+2Na"	45.978436
"1128639"	197.544018	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2Na"	45.978436
"1407789"	132.031770666667	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H+2Na"	46.985712
"1439909"	396.122346	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H+HCOOH"	47.012746
"226325"	377.13184	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+3H2O+2H"	56.04448
"1523872"	410.17439	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+IsoProp+H"	61.06479
"422468"	380.085788	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+Na+K"	61.952376
"785166"	554.640588	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+Na+K"	61.952376
"1679798"	205.530988	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Na+K"	61.952376
"266312"	762.234968	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+ACN+Na"	64.015768
"1240607"	413.125368	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+ACN+Na"	64.015768
"1726811"	413.148893	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+NH4+HCOOH"	64.039293
"1184878"	139.359084666667	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+3Na"	68.967654
"1658780"	418.104288	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Na+HCOOH"	68.994688
"161633"	775.13824	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+2K-H"	76.91904
"599125"	1124.24784	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+2K-H"	76.91904
"1086797"	426.02864	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2K-H"	76.91904
"144707"	388.072758	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"2M+2K"	77.926316
"583294"	562.627558	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"3M+2K"	77.926316
"1076071"	213.517958	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2K"	77.926316
"1108550"	428.043192	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2K+H"	78.933592
"1337644"	428.130807	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+DMSO+H"	79.021207
"1006174"	432.169976	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2ACN+H"	83.060376
"1525150"	433.163608	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+IsoProp+Na+H"	84.054008
"992571"	216.588626	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+2ACN+2H"	84.067652
"1587802"	434.078228	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+K+HCOOH"	84.968628
"1416138"	464.109738	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+H+CF3COOH"	115.000138
"1150680"	237.101901	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+3ACN+2H"	125.094202
"1702420"	481.136285	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+NH4+CF3COOH"	132.026685
"1634911"	486.09168	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+Na+CF3COOH"	136.98208
"1571901"	502.06562	"C06574"	"Ampicillin;Anhydrous ampicillin"	"C16H19N3O4S"	"349.1096"	"M+K+CF3COOH"	152.95602
"809560"	134.1096	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M"	0
"986376"	115.09121	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-H2O-H"	-19.01839
"78347"	88.399124	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M-3H"	-3.021828
"518485"	133.102324	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M-3H"	-3.021828
"890887"	43.695924	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-3H"	-3.021828
"11649"	133.102324	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M-2H"	-2.014552
"450117"	200.157124	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M-2H"	-2.014552
"830105"	66.047524	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-2H"	-2.014552
"87910"	267.211924	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M-H"	-1.007276
"528563"	401.321524	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M-H"	-1.007276
"900896"	133.102324	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-H"	-1.007276
"62406"	284.238471	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M-2H+NH4"	16.019271
"497021"	418.348071	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M-2H+NH4"	16.019271
"872637"	150.128871	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-2H+NH4"	16.019271
"40538"	289.193866	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M-2H+Na"	20.974666
"485933"	423.303466	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M-2H+Na"	20.974666
"860820"	155.084266	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-2H+Na"	20.974666
"1631449"	155.084266	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Na-2H"	20.974666
"107614"	151.090663	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M-H+Cl"	33.962126
"546811"	218.145463	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M-H+Cl"	33.962126
"941418"	84.035863	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-H+Cl"	33.962126
"282044"	303.188602	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+Cl"	34.969402
"674949"	437.298202	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+Cl"	34.969402
"1288241"	169.079002	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Cl"	34.969402
"30269"	305.167806	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M-2H+K"	36.948606
"467641"	439.277406	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M-2H+K"	36.948606
"847996"	171.058206	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-2H+K"	36.948606
"1567839"	171.058206	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+K-2H"	36.948606
"950617"	179.107794	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-H+HCOOH"	44.998194
"369924"	313.217401	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+HCOOH-H"	44.998201
"352718"	327.233051	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+Hac-H"	59.013851
"1507872"	193.123451	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Hac-H"	59.013851
"973233"	201.089751	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-H+NaCOOH"	66.980151
"123477"	169.079002	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+2Cl"	69.938804
"561940"	236.133802	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+2Cl"	69.938804
"1035361"	102.024202	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2Cl"	69.938804
"1254328"	213.028485	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Br"	78.918885
"1317871"	215.084472	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Cl+HCOOH"	80.974872
"1334152"	237.066429	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Cl+NaCOOH"	102.956829
"924602"	247.095186	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M-H+CF3COOH"	112.985586
"1303257"	283.071864	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Cl+CF3COOH"	148.962264
"1380565"	99.096924	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H-2H2O"	-35.012676
"1396845"	117.1069	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H-H2O"	-17.0027
"296652"	269.226476	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+H"	1.007276
"680324"	403.336076	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+H"	1.007276
"1364333"	135.116876	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H"	1.007276
"138317"	135.116876	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+2H"	2.014552
"575689"	202.171676	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+2H"	2.014552
"1045581"	68.062076	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2H"	2.014552
"211295"	90.413676	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+3H"	3.021828
"650857"	135.116876	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+3H"	3.021828
"1174823"	45.710476	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+3H"	3.021828
"431165"	286.253023	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+NH4"	18.033823
"797270"	420.362623	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+NH4"	18.033823
"1695060"	152.143423	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+NH4"	18.033823
"344435"	143.6301495	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+H+NH4"	19.041099
"732480"	210.6849495	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+H+NH4"	19.041099
"1486301"	76.5753495	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H+NH4"	19.041099
"404978"	291.208418	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+Na"	22.989218
"764881"	425.318018	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+Na"	22.989218
"1605327"	157.098818	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Na"	22.989218
"317548"	146.107847	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+H+Na"	23.996494
"717629"	213.162647	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+H+Na"	23.996494
"1464889"	79.053047	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H+Na"	23.996494
"1060320"	53.03779	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2H+Na"	25.00377
"1266371"	167.143086	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+CH3OH+H"	33.033486
"390412"	307.182358	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+K"	38.963158
"749949"	441.291958	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+K"	38.963158
"1549084"	173.072758	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+K"	38.963158
"305167"	154.094817	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+H+K"	39.970434
"698681"	221.149617	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+H+K"	39.970434
"1457976"	87.040017	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H+K"	39.970434
"247669"	310.253026	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+ACN+H"	42.033826
"1218190"	176.143426	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+ACN+H"	42.033826
"1207911"	88.575351	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+ACN+2H"	43.041102
"199323"	313.19036	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+2Na-H"	44.97116
"634510"	447.29996	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+2Na-H"	44.97116
"1146404"	179.08076	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2Na-H"	44.97116
"181307"	157.098818	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+2Na"	45.978436
"619774"	224.153618	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+2Na"	45.978436
"1129842"	90.044018	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2Na"	45.978436
"1412273"	60.365104	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H+2Na"	46.985712
"1438926"	181.122346	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H+HCOOH"	47.012746
"229715"	162.13184	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+3H2O+2H"	56.04448
"1522160"	195.17439	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+IsoProp+H"	61.06479
"420027"	165.085788	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+Na+K"	61.952376
"782844"	232.140588	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+Na+K"	61.952376
"1679537"	98.030988	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Na+K"	61.952376
"266422"	332.234968	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+ACN+Na"	64.015768
"1240833"	198.125368	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+ACN+Na"	64.015768
"1726192"	198.148893	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+NH4+HCOOH"	64.039293
"1184986"	67.692418	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+3Na"	68.967654
"1658159"	203.104288	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Na+HCOOH"	68.994688
"159559"	345.13824	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+2K-H"	76.91904
"600208"	479.24784	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+2K-H"	76.91904
"1085934"	211.02864	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2K-H"	76.91904
"144817"	173.072758	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"2M+2K"	77.926316
"584377"	240.127558	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"3M+2K"	77.926316
"1076544"	106.017958	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2K"	77.926316
"1107568"	213.043192	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2K+H"	78.933592
"1340669"	213.130807	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+DMSO+H"	79.021207
"1012480"	217.169976	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2ACN+H"	83.060376
"1527325"	218.163608	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+IsoProp+Na+H"	84.054008
"991588"	109.088626	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+2ACN+2H"	84.067652
"1588277"	219.078228	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+K+HCOOH"	84.968628
"1416491"	249.109738	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+H+CF3COOH"	115.000138
"1149698"	129.601901	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+3ACN+2H"	125.094202
"1701437"	266.136285	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+NH4+CF3COOH"	132.026685
"1635994"	271.09168	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+Na+CF3COOH"	136.98208
"1571360"	287.06562	"C06575"	"p-Cymene"	"C10H14"	"134.1096"	"M+K+CF3COOH"	152.95602
"809670"	150.1045	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M"	0
"987216"	131.08611	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"75458"	99.0623906666667	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"516477"	149.097224	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"890997"	49.0275573333333	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"12853"	149.097224	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"445853"	224.149474	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"823655"	74.044974	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"84740"	299.201724	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"523206"	449.306224	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"897726"	149.097224	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"60854"	316.228271	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"489478"	466.332771	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"869467"	166.123771	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"39555"	321.183666	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"485677"	471.288166	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"861294"	171.079166	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1631559"	171.079166	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"107358"	167.085563	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"548014"	242.137813	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"940070"	92.033313	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"280452"	335.178402	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"674573"	485.282902	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1288274"	185.073902	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"30379"	337.157606	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"467751"	487.262106	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"848234"	187.053106	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1570501"	187.053106	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"954007"	195.102694	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"372221"	345.207201	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"352828"	359.222851	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1508210"	209.118351	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"973702"	217.084651	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"124431"	185.073902	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"564237"	260.126152	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1036198"	110.021652	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1254802"	229.023385	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1318345"	231.079372	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1334383"	253.061329	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"926417"	263.090086	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1303488"	299.066764	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1382135"	115.091824	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1398136"	133.1018	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"296762"	301.216276	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"688089"	451.320776	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1363350"	151.111776	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H"	1.007276
"139521"	151.111776	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"577986"	226.164026	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1044600"	76.059526	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"211405"	101.076942666667	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"652059"	151.111776	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1175297"	51.0421093333333	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"429818"	318.242823	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"797746"	468.347323	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1692620"	168.138323	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"334338"	159.6250495	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"729311"	234.6772995	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1489692"	84.5727995	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"402903"	323.198218	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"763899"	473.302718	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1603001"	173.093718	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"316565"	162.102747	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"713365"	237.154997	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1464999"	87.050497	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1056057"	58.3694233333333	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1261014"	183.137986	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"389430"	339.172158	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"753340"	489.276658	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1552111"	189.067658	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+K"	38.963158
"307465"	170.089717	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"699886"	245.141967	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1458086"	95.037467	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"248872"	342.242826	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1219393"	192.138326	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1203282"	96.572801	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"197246"	345.18016	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"634619"	495.28466	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1145661"	195.07566	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"182510"	173.093718	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"622071"	248.145968	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1130198"	98.041468	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1408009"	65.6967373333333	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1444258"	197.117246	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"227637"	178.12674	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1521901"	211.16929	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"422684"	181.080688	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"783681"	256.132938	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1679648"	106.028438	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"266409"	364.224768	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1239971"	214.120268	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1726300"	214.143793	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1184003"	73.0240513333333	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1657176"	219.099188	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"159669"	377.12804	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"601412"	527.23254	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1088110"	227.02354	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"144927"	189.067658	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"582784"	264.119908	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1074466"	114.015408	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1106585"	229.038092	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1338593"	229.125707	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1011497"	233.164876	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1529623"	234.158508	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"992790"	117.086076	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1587659"	235.073128	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1415386"	265.104638	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1148715"	137.599351	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1700454"	282.131185	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1634564"	287.08658	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1571334"	303.06052	"C06576"	"p-Cumic alcohol"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"809780"	148.0888	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M"	0
"987690"	129.07041	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-H2O-H"	-19.01839
"77026"	97.7185906666667	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M-3H"	-3.021828
"515494"	147.081524	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M-3H"	-3.021828
"888921"	48.3556573333333	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-3H"	-3.021828
"9683"	147.081524	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M-2H"	-2.014552
"444868"	221.125924	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M-2H"	-2.014552
"824858"	73.037124	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-2H"	-2.014552
"83756"	295.170324	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M-H"	-1.007276
"523317"	443.259124	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M-H"	-1.007276
"898564"	147.081524	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-H"	-1.007276
"54402"	312.196871	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M-2H+NH4"	16.019271
"489587"	460.285671	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M-2H+NH4"	16.019271
"869941"	164.108071	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-2H+NH4"	16.019271
"39665"	317.152266	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M-2H+Na"	20.974666
"483966"	465.241066	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M-2H+Na"	20.974666
"860676"	169.063466	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-2H+Na"	20.974666
"1628754"	169.063466	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Na-2H"	20.974666
"105282"	165.069863	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M-H+Cl"	33.962126
"547031"	239.114263	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M-H+Cl"	33.962126
"939451"	91.025463	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-H+Cl"	33.962126
"282018"	331.147002	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+Cl"	34.969402
"675483"	479.235802	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+Cl"	34.969402
"1287568"	183.058202	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Cl"	34.969402
"29032"	333.126206	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M-2H+K"	36.948606
"468225"	481.215006	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M-2H+K"	36.948606
"847123"	185.037406	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-2H+K"	36.948606
"1569153"	185.037406	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+K-2H"	36.948606
"953753"	193.086994	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-H+HCOOH"	44.998194
"371605"	341.175801	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+HCOOH-H"	44.998201
"354032"	355.191451	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+Hac-H"	59.013851
"1506512"	207.102651	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Hac-H"	59.013851
"973529"	215.068951	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-H+NaCOOH"	66.980151
"124420"	183.058202	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+2Cl"	69.938804
"565076"	257.102602	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+2Cl"	69.938804
"1036064"	109.013802	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2Cl"	69.938804
"1251632"	227.007685	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Br"	78.918885
"1317362"	229.063672	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Cl+HCOOH"	80.974872
"1332672"	251.045629	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Cl+NaCOOH"	102.956829
"926644"	261.074386	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M-H+CF3COOH"	112.985586
"1302261"	297.051064	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Cl+CF3COOH"	148.962264
"1381514"	113.076124	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H-2H2O"	-35.012676
"1396095"	131.0861	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H-H2O"	-17.0027
"295781"	297.184876	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+H"	1.007276
"686013"	445.273676	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+H"	1.007276
"1364553"	149.096076	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H"	1.007276
"140728"	149.096076	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+2H"	2.014552
"577002"	223.140476	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+2H"	2.014552
"1049084"	75.051676	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2H"	2.014552
"208597"	99.7331426666667	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+3H"	3.021828
"652169"	149.096076	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+3H"	3.021828
"1169203"	50.3702093333333	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+3H"	3.021828
"432480"	314.211423	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+NH4"	18.033823
"797491"	462.300223	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+NH4"	18.033823
"1689815"	166.122623	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+NH4"	18.033823
"334447"	157.6093495	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+H+NH4"	19.041099
"730514"	231.6537495	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+H+NH4"	19.041099
"1488709"	83.5649495	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H+NH4"	19.041099
"401919"	319.166818	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+Na"	22.989218
"760729"	467.255618	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+Na"	22.989218
"1604450"	171.078018	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Na"	22.989218
"317768"	160.087047	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+H+Na"	23.996494
"711287"	234.131447	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+H+Na"	23.996494
"1465109"	86.042647	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H+Na"	23.996494
"1055074"	57.6975233333333	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2H+Na"	25.00377
"1260032"	181.122286	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+CH3OH+H"	33.033486
"380793"	335.140758	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+K"	38.963158
"751265"	483.229558	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+K"	38.963158
"1554288"	187.051958	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+K"	38.963158
"310856"	168.074017	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+H+K"	39.970434
"699997"	242.118417	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+H+K"	39.970434
"1460017"	94.029617	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H+K"	39.970434
"247889"	338.211426	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+ACN+H"	42.033826
"1220595"	190.122626	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+ACN+H"	42.033826
"1203392"	95.564951	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+ACN+2H"	43.041102
"196263"	341.14876	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+2Na-H"	44.97116
"636915"	489.23756	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+2Na-H"	44.97116
"1145650"	193.05996	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2Na-H"	44.97116
"182620"	171.078018	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+2Na"	45.978436
"623274"	245.122418	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+2Na"	45.978436
"1130429"	97.033618	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2Na"	45.978436
"1408119"	65.0248373333333	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H+2Na"	46.985712
"1444857"	195.101546	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H+HCOOH"	47.012746
"232120"	176.11104	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+3H2O+2H"	56.04448
"1516904"	209.15359	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+IsoProp+H"	61.06479
"423763"	179.064988	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+Na+K"	61.952376
"783661"	253.109388	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+Na+K"	61.952376
"1679020"	105.020588	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Na+K"	61.952376
"264822"	360.193368	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+ACN+Na"	64.015768
"1240567"	212.104568	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+ACN+Na"	64.015768
"1725679"	212.128093	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+NH4+HCOOH"	64.039293
"1184113"	72.3521513333333	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+3Na"	68.967654
"1657287"	217.083488	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Na+HCOOH"	68.994688
"160871"	373.09664	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+2K-H"	76.91904
"600793"	521.18544	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+2K-H"	76.91904
"1088220"	225.00784	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2K-H"	76.91904
"145037"	187.051958	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"2M+2K"	77.926316
"581681"	261.096358	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"3M+2K"	77.926316
"1071296"	113.007558	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2K"	77.926316
"1106696"	227.022392	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2K+H"	78.933592
"1337609"	227.110007	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+DMSO+H"	79.021207
"1010514"	231.149176	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2ACN+H"	83.060376
"1528639"	232.142808	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+IsoProp+Na+H"	84.054008
"990469"	116.078226	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+2ACN+2H"	84.067652
"1589590"	233.057428	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+K+HCOOH"	84.968628
"1415979"	263.088938	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+H+CF3COOH"	115.000138
"1148096"	136.591501	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+3ACN+2H"	125.094202
"1699471"	280.115485	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+NH4+CF3COOH"	132.026685
"1635121"	285.07088	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+Na+CF3COOH"	136.98208
"1572962"	301.04482	"C06577"	"4-Isopropylbenzaldehyde;p-Cumic aldehyde;Cuminaldehyde"	"C10H12O"	"148.0888"	"M+K+CF3COOH"	152.95602
"809890"	164.0837	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M"	0
"987436"	145.06531	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"76773"	108.381857333333	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"514510"	163.076424	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"890124"	53.6872906666667	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"10886"	163.076424	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"449351"	245.118274	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"826061"	81.034574	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"84959"	327.160124	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"526707"	491.243824	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"900134"	163.076424	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"54512"	344.186671	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"499178"	508.270371	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"875155"	180.102971	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"43787"	349.142066	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"483712"	513.225766	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"860422"	185.058366	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1627771"	185.058366	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"104300"	181.064763	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"546048"	263.106613	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"937375"	99.022913	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"278120"	363.136802	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"674673"	527.220502	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1286220"	199.053102	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"24403"	365.116006	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"466149"	529.199706	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"847840"	201.032306	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1565253"	201.032306	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"950947"	209.081894	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"369162"	373.165601	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"354142"	387.181251	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1506622"	223.097551	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"973436"	231.063851	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"124651"	199.053102	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"564457"	281.094952	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1036054"	117.011252	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1251743"	243.002585	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1317472"	245.058572	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1331688"	267.040529	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"926513"	277.069286	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1302735"	313.045964	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1378708"	129.071024	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1396205"	147.081	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"295892"	329.174676	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"688310"	493.258376	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1365757"	165.090976	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"140473"	165.090976	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"577112"	247.132826	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1049193"	83.049126	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"211623"	110.396409333333	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"651185"	165.090976	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1168584"	55.7018426666667	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"429306"	346.201223	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"798332"	510.284923	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1693933"	182.117523	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"338203"	173.6042495	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"732812"	255.6460995	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1488820"	91.5623995	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"402030"	351.156618	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"761932"	515.240318	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1606749"	187.072918	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"318972"	176.081947	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"711397"	258.123797	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1463030"	94.040097	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1056277"	63.0291566666667	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1260141"	197.117186	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"383091"	367.130558	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"748825"	531.214258	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1549417"	203.046858	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"308780"	184.068917	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"700107"	266.110767	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1457941"	102.027067	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"247635"	370.201226	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1219611"	206.117526	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1204595"	103.562401	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"200748"	373.13856	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"638121"	537.22226	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1145639"	209.05486	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"182730"	187.072918	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"623384"	269.114768	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1128956"	105.031068	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1406041"	70.3564706666667	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1439252"	211.096446	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"230044"	192.10594	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1517016"	225.14849	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"423023"	195.059888	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"784138"	277.101738	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1679494"	113.018038	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"265291"	392.183168	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1239578"	228.099468	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1726153"	228.122993	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1186410"	77.6837846666667	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1653022"	233.078388	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"159159"	405.08644	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"598716"	569.17014	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1086143"	241.00274	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"142960"	203.046858	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"582519"	285.088708	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1068850"	121.005008	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1102429"	243.017292	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1338814"	243.104907	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1006615"	247.144076	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1529844"	248.137708	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"993012"	124.075676	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1588607"	249.052328	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1415360"	279.083838	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1147963"	144.588951	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1698488"	296.110385	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1636325"	301.06578	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1573072"	317.03972	"C06578"	"p-Cumate"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"810000"	198.0892	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M"	0
"984628"	179.07081	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-H2O-H"	-19.01839
"75060"	131.052190666667	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M-3H"	-3.021828
"513527"	197.081924	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M-3H"	-3.021828
"890233"	65.0224573333333	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-3H"	-3.021828
"8809"	197.081924	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M-2H"	-2.014552
"449460"	296.126524	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M-2H"	-2.014552
"820703"	98.037324	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-2H"	-2.014552
"79963"	395.171124	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M-H"	-1.007276
"520619"	593.260324	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M-H"	-1.007276
"907899"	197.081924	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-H"	-1.007276
"54622"	412.197671	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M-2H+NH4"	16.019271
"499653"	610.286871	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M-2H+NH4"	16.019271
"875265"	214.108471	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-2H+NH4"	16.019271
"43896"	417.153066	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M-2H+Na"	20.974666
"484550"	615.242266	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M-2H+Na"	20.974666
"861990"	219.063866	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-2H+Na"	20.974666
"1627881"	219.063866	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Na-2H"	20.974666
"105503"	215.070263	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M-H+Cl"	33.962126
"547248"	314.114863	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M-H+Cl"	33.962126
"939672"	116.025663	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-H+Cl"	33.962126
"280660"	431.147802	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+Cl"	34.969402
"673929"	629.237002	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+Cl"	34.969402
"1285237"	233.058602	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Cl"	34.969402
"27793"	433.127006	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M-2H+K"	36.948606
"468448"	631.216206	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M-2H+K"	36.948606
"846616"	235.037806	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-2H+K"	36.948606
"1564270"	235.037806	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+K-2H"	36.948606
"951057"	243.087394	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-H+HCOOH"	44.998194
"368179"	441.176601	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+HCOOH-H"	44.998201
"357168"	455.192251	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+Hac-H"	59.013851
"1505275"	257.103051	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Hac-H"	59.013851
"974151"	265.069351	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-H+NaCOOH"	66.980151
"124640"	233.058602	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+2Cl"	69.938804
"565420"	332.103202	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+2Cl"	69.938804
"1036853"	134.014002	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2Cl"	69.938804
"1256593"	277.008085	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Br"	78.918885
"1319044"	279.064072	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Cl+HCOOH"	80.974872
"1333620"	301.046029	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Cl+NaCOOH"	102.956829
"926138"	311.074786	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M-H+CF3COOH"	112.985586
"1301388"	347.051464	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Cl+CF3COOH"	148.962264
"1379548"	163.076524	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H-2H2O"	-35.012676
"1395953"	181.0865	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H-H2O"	-17.0027
"297824"	397.185676	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+H"	1.007276
"684048"	595.274876	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+H"	1.007276
"1365503"	199.096476	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H"	1.007276
"139850"	199.096476	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+2H"	2.014552
"573942"	298.141076	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+2H"	2.014552
"1046023"	100.051876	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2H"	2.014552
"210640"	133.066742666667	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+3H"	3.021828
"650202"	199.096476	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+3H"	3.021828
"1166508"	67.0370093333333	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+3H"	3.021828
"427593"	414.212223	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+NH4"	18.033823
"799169"	612.301423	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+NH4"	18.033823
"1695500"	216.123023	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+NH4"	18.033823
"334303"	207.6097495	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+H+NH4"	19.041099
"734015"	306.6543495	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+H+NH4"	19.041099
"1488931"	108.5651495	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H+NH4"	19.041099
"405421"	419.167618	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+Na"	22.989218
"766417"	617.256818	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+Na"	22.989218
"1606859"	221.078418	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Na"	22.989218
"319082"	210.087447	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+H+Na"	23.996494
"711507"	309.132047	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+H+Na"	23.996494
"1466420"	111.042847	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H+Na"	23.996494
"1057480"	74.3643233333333	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2H+Na"	25.00377
"1261345"	231.122686	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+CH3OH+H"	33.033486
"379921"	435.141558	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+K"	38.963158
"750028"	633.230758	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+K"	38.963158
"1552807"	237.052358	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+K"	38.963158
"308890"	218.074417	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+H+K"	39.970434
"704593"	317.119017	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+H+K"	39.970434
"1458417"	119.029817	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H+K"	39.970434
"245923"	438.212226	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+ACN+H"	42.033826
"1218632"	240.123026	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+ACN+H"	42.033826
"1201426"	120.565151	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+ACN+2H"	43.041102
"197578"	441.14956	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+2Na-H"	44.97116
"637138"	639.23876	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+2Na-H"	44.97116
"1143925"	243.06036	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2Na-H"	44.97116
"181747"	221.078418	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+2Na"	45.978436
"622401"	320.123018	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+2Na"	45.978436
"1128094"	122.033818	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2Na"	45.978436
"1410525"	81.6916373333333	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H+2Na"	46.985712
"1438269"	245.101946	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H+HCOOH"	47.012746
"233434"	226.11144	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+3H2O+2H"	56.04448
"1519312"	259.15399	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+IsoProp+H"	61.06479
"423009"	229.065388	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+Na+K"	61.952376
"784367"	328.109988	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+Na+K"	61.952376
"1680093"	130.020788	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Na+K"	61.952376
"265036"	460.194168	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+ACN+Na"	64.015768
"1238838"	262.104968	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+ACN+Na"	64.015768
"1725536"	262.128493	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+NH4+HCOOH"	64.039293
"1189436"	89.0189513333333	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+3Na"	68.967654
"1656415"	267.083888	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Na+HCOOH"	68.994688
"157930"	473.09744	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+2K-H"	76.91904
"597731"	671.18664	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+2K-H"	76.91904
"1087347"	275.00824	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2K-H"	76.91904
"143435"	237.052358	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"2M+2K"	77.926316
"582630"	336.096958	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"3M+2K"	77.926316
"1068638"	138.007758	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2K"	77.926316
"1100716"	277.022792	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2K+H"	78.933592
"1341111"	277.110407	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+DMSO+H"	79.021207
"1008548"	281.149576	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2ACN+H"	83.060376
"1532140"	282.143208	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+IsoProp+Na+H"	84.054008
"990810"	141.078426	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+2ACN+2H"	84.067652
"1588715"	283.057828	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+K+HCOOH"	84.968628
"1415469"	313.089338	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+H+CF3COOH"	115.000138
"1147952"	161.591701	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+3ACN+2H"	125.094202
"1697626"	330.115885	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+NH4+CF3COOH"	132.026685
"1635342"	335.07128	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+Na+CF3COOH"	136.98208
"1571723"	351.04522	"C06579"	"cis-23-Dihydroxy-23-dihydro-p-cumate;cis-56-Dihydroxy-4-isopropylcyclohexa-13-dienecarboxylate"	"C10H14O4"	"198.0892"	"M+K+CF3COOH"	152.95602
"810110"	196.0736	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M"	0
"982551"	177.05521	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"78085"	129.708457333333	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"514730"	195.066324	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"890344"	64.3505906666667	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"7825"	195.066324	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"450664"	293.103124	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"823000"	97.029524	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"79345"	391.139924	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"519756"	587.213524	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"904729"	195.066324	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"54732"	408.166471	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"500492"	604.240071	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"874282"	212.092871	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"44370"	413.121866	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"483931"	609.195466	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"862464"	217.048266	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1627991"	217.048266	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"105613"	213.054663	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"548452"	311.091463	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"942092"	115.017863	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"279426"	427.116602	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"674765"	623.190202	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1288399"	231.043002	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"28996"	429.095806	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"466370"	625.169406	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"847452"	233.022206	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1565473"	233.022206	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"951167"	241.071794	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"368289"	437.145401	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"357642"	451.161051	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1505750"	255.087451	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"973661"	263.053751	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"124750"	231.043002	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"565167"	329.079802	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1036517"	133.006202	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1256952"	274.992485	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1319520"	277.048472	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1331907"	299.030429	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"926938"	309.059186	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1303321"	345.035864	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1380388"	161.060924	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1397885"	179.0709	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"296111"	393.154476	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"683065"	589.228076	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1363791"	197.080876	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"137774"	197.080876	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"575146"	295.117676	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1048319"	99.044076	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"208199"	131.723009333333	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"647033"	197.080876	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1166618"	66.3651426666667	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"430984"	410.181023	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"800008"	606.254623	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1694517"	214.107423	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"337329"	205.5941495	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"731940"	303.6309495	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1486854"	107.5573495	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"404437"	415.136418	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"767257"	611.210018	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1604294"	219.062818	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"320284"	208.071847	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"710523"	306.108647	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1466530"	110.035047	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1055403"	73.6924566666667	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1261455"	229.107086	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"382217"	431.110358	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"746492"	627.183958	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1548544"	235.036758	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"309000"	216.058817	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"702881"	314.095617	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1454153"	118.022017	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"247858"	434.181026	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1222754"	238.107426	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1199350"	119.557351	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"193314"	437.11836	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"640529"	633.19196	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1146222"	241.04476	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"185138"	219.062818	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"622511"	317.099618	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1128204"	121.026018	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1408448"	81.0197706666667	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1438379"	243.086346	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"232451"	224.09584	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1521609"	257.13839	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"421297"	227.049788	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"784478"	325.086588	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1680325"	129.012988	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"265509"	456.162968	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1238947"	260.089368	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1725644"	260.112893	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1191004"	88.3470846666667	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1653245"	265.068288	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"163386"	469.06624	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"598570"	665.13984	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1086729"	272.99264	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"143181"	235.036758	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"590394"	333.073558	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1068947"	136.999958	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1103743"	275.007192	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1345597"	275.094807	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1015219"	279.133976	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1534436"	280.127608	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"991408"	140.070626	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1589189"	281.042228	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1415216"	311.073738	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1148062"	160.583901	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1698343"	328.100285	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1638732"	333.05568	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1571833"	349.02962	"C06580"	"23-Dihydroxy-p-cumate"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"810220"	228.0634	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M"	0
"988129"	209.04501	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-H2O-H"	-19.01839
"78195"	151.034990666667	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M-3H"	-3.021828
"517634"	227.056124	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M-3H"	-3.021828
"887174"	75.0138573333333	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-3H"	-3.021828
"6842"	227.056124	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M-2H"	-2.014552
"448588"	341.087824	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M-2H"	-2.014552
"823109"	113.024424	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-2H"	-2.014552
"84195"	455.119524	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M-H"	-1.007276
"523754"	683.182924	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M-H"	-1.007276
"900099"	227.056124	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-H"	-1.007276
"51559"	472.146071	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M-2H+NH4"	16.019271
"488564"	700.209471	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M-2H+NH4"	16.019271
"869652"	244.082671	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-2H+NH4"	16.019271
"43388"	477.101466	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M-2H+Na"	20.974666
"482948"	705.164866	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M-2H+Na"	20.974666
"863951"	249.038066	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-2H+Na"	20.974666
"1633771"	249.038066	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Na-2H"	20.974666
"106816"	245.044463	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M-H+Cl"	33.962126
"548931"	359.076163	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M-H+Cl"	33.962126
"942769"	131.012763	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-H+Cl"	33.962126
"282340"	491.096202	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+Cl"	34.969402
"675490"	719.159602	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+Cl"	34.969402
"1288464"	263.032802	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Cl"	34.969402
"29105"	493.075406	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M-2H+K"	36.948606
"469760"	721.138806	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M-2H+K"	36.948606
"847562"	265.012006	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-2H+K"	36.948606
"1565583"	265.012006	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+K-2H"	36.948606
"956745"	273.061594	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-H+HCOOH"	44.998194
"374960"	501.125001	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+HCOOH-H"	44.998201
"357752"	515.140651	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+Hac-H"	59.013851
"1504764"	287.077251	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Hac-H"	59.013851
"971577"	295.043551	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-H+NaCOOH"	66.980151
"124860"	263.032802	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+2Cl"	69.938804
"565313"	377.064502	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+2Cl"	69.938804
"1037003"	149.001102	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2Cl"	69.938804
"1256692"	306.982285	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Br"	78.918885
"1319779"	309.038272	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Cl+HCOOH"	80.974872
"1332017"	331.020229	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Cl+NaCOOH"	102.956829
"925626"	341.048986	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M-H+CF3COOH"	112.985586
"1303796"	377.025664	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Cl+CF3COOH"	148.962264
"1380861"	193.050724	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H-2H2O"	-35.012676
"1398315"	211.0607	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H-H2O"	-17.0027
"297314"	457.134076	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+H"	1.007276
"691311"	685.197476	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+H"	1.007276
"1365723"	229.070676	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H"	1.007276
"137884"	229.070676	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+2H"	2.014552
"576349"	343.102376	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+2H"	2.014552
"1048431"	115.038976	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2H"	2.014552
"211956"	153.049542666667	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+3H"	3.021828
"656987"	229.070676	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+3H"	3.021828
"1169644"	77.0284093333333	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+3H"	3.021828
"434010"	474.160623	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+NH4"	18.033823
"800484"	702.224023	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+NH4"	18.033823
"1696409"	246.097223	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+NH4"	18.033823
"335255"	237.5839495	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+H+NH4"	19.041099
"732050"	351.6156495	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+H+NH4"	19.041099
"1486966"	123.5522495	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H+NH4"	19.041099
"405643"	479.116018	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+Na"	22.989218
"766639"	707.179418	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+Na"	22.989218
"1605256"	251.052618	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Na"	22.989218
"321488"	240.061647	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+H+Na"	23.996494
"713912"	354.093347	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+H+Na"	23.996494
"1466642"	126.029947	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H+Na"	23.996494
"1057700"	84.3557233333333	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2H+Na"	25.00377
"1264847"	261.096886	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+CH3OH+H"	33.033486
"386702"	495.089958	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+K"	38.963158
"752802"	723.153358	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+K"	38.963158
"1551937"	267.026558	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+K"	38.963158
"311665"	248.048617	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+H+K"	39.970434
"706970"	362.080317	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+H+K"	39.970434
"1458637"	134.016917	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H+K"	39.970434
"246874"	498.160626	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+ACN+H"	42.033826
"1221041"	270.097226	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+ACN+H"	42.033826
"1201647"	135.552251	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+ACN+2H"	43.041102
"195611"	501.09796	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+2Na-H"	44.97116
"637359"	729.16136	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+2Na-H"	44.97116
"1146332"	273.03456	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2Na-H"	44.97116
"177957"	251.052618	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+2Na"	45.978436
"624078"	365.084318	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+2Na"	45.978436
"1129043"	137.020918	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2Na"	45.978436
"1406371"	91.6830373333333	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H+2Na"	46.985712
"1436666"	275.076146	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H+HCOOH"	47.012746
"230373"	256.08564	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+3H2O+2H"	56.04448
"1522087"	289.12819	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+IsoProp+H"	61.06479
"422500"	259.039588	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+Na+K"	61.952376
"784712"	373.071288	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+Na+K"	61.952376
"1678370"	145.007888	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Na+K"	61.952376
"263798"	520.142568	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+ACN+Na"	64.015768
"1238692"	292.079168	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+ACN+Na"	64.015768
"1724661"	292.102693	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+NH4+HCOOH"	64.039293
"1192210"	99.0103513333333	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+3Na"	68.967654
"1656636"	297.058088	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Na+HCOOH"	68.994688
"165682"	533.04584	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+2K-H"	76.91904
"603055"	761.10924	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+2K-H"	76.91904
"1086474"	304.98244	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2K-H"	76.91904
"142682"	267.026558	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"2M+2K"	77.926316
"582483"	381.058258	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"3M+2K"	77.926316
"1069913"	152.994858	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2K"	77.926316
"1109320"	306.996992	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2K+H"	78.933592
"1349717"	307.084607	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+DMSO+H"	79.021207
"1019585"	311.123776	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2ACN+H"	83.060376
"1538560"	312.117408	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+IsoProp+Na+H"	84.054008
"1004275"	156.065526	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+2ACN+2H"	84.067652
"1591124"	313.032028	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+K+HCOOH"	84.968628
"1416785"	343.063538	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+H+CF3COOH"	115.000138
"1153641"	176.578801	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+3ACN+2H"	125.094202
"1701004"	360.090085	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+NH4+CF3COOH"	132.026685
"1639935"	365.04548	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+Na+CF3COOH"	136.98208
"1571943"	381.01942	"C06581"	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-24-dienoate"	"C10H12O6"	"228.0634"	"M+K+CF3COOH"	152.95602
"810330"	184.0736	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M"	0
"987147"	165.05521	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H2O-H"	-19.01839
"76483"	121.708457333333	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-3H"	-3.021828
"515679"	183.066324	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-3H"	-3.021828
"889471"	60.3505906666667	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-3H"	-3.021828
"8045"	183.066324	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H"	-2.014552
"449792"	275.103124	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H"	-2.014552
"823219"	91.029524	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H"	-2.014552
"84305"	367.139924	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-H"	-1.007276
"521678"	551.213524	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-H"	-1.007276
"900209"	183.066324	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H"	-1.007276
"48388"	384.166471	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H+NH4"	16.019271
"489040"	568.240071	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H+NH4"	16.019271
"867575"	200.092871	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H+NH4"	16.019271
"45321"	389.121866	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H+Na"	20.974666
"483058"	573.195466	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H+Na"	20.974666
"863697"	205.048266	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H+Na"	20.974666
"1633635"	205.048266	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na-2H"	20.974666
"108748"	201.054663	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-H+Cl"	33.962126
"547581"	293.091463	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-H+Cl"	33.962126
"942310"	109.017863	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+Cl"	33.962126
"282328"	403.116602	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Cl"	34.969402
"672069"	587.190202	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+Cl"	34.969402
"1286659"	219.043002	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl"	34.969402
"28122"	405.095806	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M-2H+K"	36.948606
"468776"	589.169406	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M-2H+K"	36.948606
"842204"	221.022206	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-2H+K"	36.948606
"1566785"	221.022206	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K-2H"	36.948606
"954667"	229.071794	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+HCOOH"	44.998194
"369601"	413.145401	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+HCOOH-H"	44.998201
"349113"	427.161051	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Hac-H"	59.013851
"1502321"	243.087451	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Hac-H"	59.013851
"968770"	251.053751	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+NaCOOH"	66.980151
"124849"	219.043002	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2Cl"	69.938804
"564530"	311.079802	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2Cl"	69.938804
"1036613"	127.006202	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2Cl"	69.938804
"1256842"	262.992485	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Br"	78.918885
"1318639"	265.048472	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl+HCOOH"	80.974872
"1334313"	287.030429	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl+NaCOOH"	102.956829
"916622"	297.059186	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M-H+CF3COOH"	112.985586
"1302079"	333.035864	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Cl+CF3COOH"	148.962264
"1371493"	149.060924	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H-2H2O"	-35.012676
"1387895"	167.0709	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H-H2O"	-17.0027
"289769"	369.154476	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H"	1.007276
"677816"	553.228076	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H"	1.007276
"1358540"	185.080876	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H"	1.007276
"135805"	185.080876	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2H"	2.014552
"569898"	277.117676	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2H"	2.014552
"1044165"	93.044076	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2H"	2.014552
"213159"	123.723009333333	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+3H"	3.021828
"656001"	185.080876	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+3H"	3.021828
"1169754"	62.3651426666667	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+3H"	3.021828
"429746"	386.181023	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+NH4"	18.033823
"799865"	570.254623	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+NH4"	18.033823
"1694009"	202.107423	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+NH4"	18.033823
"335364"	193.5941495	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H+NH4"	19.041099
"727787"	285.6309495	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H+NH4"	19.041099
"1487804"	101.5573495	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+NH4"	19.041099
"403564"	391.136418	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Na"	22.989218
"765656"	575.210018	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+Na"	22.989218
"1605244"	207.062818	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na"	22.989218
"320505"	196.071847	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H+Na"	23.996494
"708554"	288.108647	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H+Na"	23.996494
"1463470"	104.035047	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+Na"	23.996494
"1052978"	69.6924566666667	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2H+Na"	25.00377
"1259488"	217.107086	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+CH3OH+H"	33.033486
"383532"	407.110358	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+K"	38.963158
"749630"	591.183958	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+K"	38.963158
"1552775"	223.036758	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K"	38.963158
"308129"	204.058817	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+H+K"	39.970434
"704197"	296.095617	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+H+K"	39.970434
"1457649"	112.022017	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+K"	39.970434
"246981"	410.181026	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+ACN+H"	42.033826
"1220784"	226.107426	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+ACN+H"	42.033826
"1200660"	113.557351	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+ACN+2H"	43.041102
"197905"	413.11836	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2Na-H"	44.97116
"631999"	597.19196	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2Na-H"	44.97116
"1139881"	229.04476	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2Na-H"	44.97116
"178067"	207.062818	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2Na"	45.978436
"620908"	299.099618	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2Na"	45.978436
"1129153"	115.026018	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2Na"	45.978436
"1407575"	77.0197706666667	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+2Na"	46.985712
"1438599"	231.086346	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+HCOOH"	47.012746
"230483"	212.09584	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+3H2O+2H"	56.04448
"1523655"	245.13839	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+IsoProp+H"	61.06479
"420423"	215.049788	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+Na+K"	61.952376
"784335"	307.086588	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+Na+K"	61.952376
"1679572"	123.012988	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na+K"	61.952376
"265001"	432.162968	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+ACN+Na"	64.015768
"1236979"	248.089368	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+ACN+Na"	64.015768
"1725864"	248.112893	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+NH4+HCOOH"	64.039293
"1194105"	84.3470846666667	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+3Na"	68.967654
"1657842"	253.068288	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na+HCOOH"	68.994688
"166889"	445.06624	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2K-H"	76.91904
"604258"	629.13984	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2K-H"	76.91904
"1088042"	260.99264	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2K-H"	76.91904
"141982"	223.036758	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"2M+2K"	77.926316
"582229"	315.073558	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"3M+2K"	77.926316
"1075127"	130.999958	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2K"	77.926316
"1111617"	263.007192	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2K+H"	78.933592
"1348977"	263.094807	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+DMSO+H"	79.021207
"1020547"	267.133976	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2ACN+H"	83.060376
"1538428"	268.127608	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+IsoProp+Na+H"	84.054008
"1005444"	134.070626	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+2ACN+2H"	84.067652
"1595608"	269.042228	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K+HCOOH"	84.968628
"1417990"	299.073738	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+H+CF3COOH"	115.000138
"1152658"	154.583901	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+3ACN+2H"	125.094202
"1702208"	316.100285	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+NH4+CF3COOH"	132.026685
"1640045"	321.05568	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+Na+CF3COOH"	136.98208
"1572053"	337.02962	"C06582"	"2-Hydroxy-6-oxo-7-methylocta-24-dienoate"	"C9H12O4"	"184.0736"	"M+K+CF3COOH"	152.95602
"813721"	188.0393	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M"	0
"986893"	169.02091	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-H2O-H"	-19.01839
"76593"	124.352257333333	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M-3H"	-3.021828
"515061"	187.032024	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M-3H"	-3.021828
"892861"	61.6724906666667	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-3H"	-3.021828
"11435"	187.032024	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M-2H"	-2.014552
"450995"	281.051674	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M-2H"	-2.014552
"824423"	93.012374	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-2H"	-2.014552
"85508"	375.071324	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M-H"	-1.007276
"522881"	563.110624	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M-H"	-1.007276
"898132"	187.032024	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-H"	-1.007276
"48860"	392.097871	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M-2H+NH4"	16.019271
"489513"	580.137171	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M-2H+NH4"	16.019271
"867685"	204.058571	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-2H+NH4"	16.019271
"41421"	397.053266	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M-2H+Na"	20.974666
"483168"	585.092566	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M-2H+Na"	20.974666
"863159"	209.013966	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-2H+Na"	20.974666
"1633422"	209.013966	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Na-2H"	20.974666
"108126"	205.020363	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M-H+Cl"	33.962126
"545505"	299.040013	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M-H+Cl"	33.962126
"941690"	111.000713	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-H+Cl"	33.962126
"281459"	411.048002	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+Cl"	34.969402
"671085"	599.087302	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+Cl"	34.969402
"1287377"	223.008702	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Cl"	34.969402
"29325"	413.027206	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M-2H+K"	36.948606
"464510"	601.066506	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M-2H+K"	36.948606
"842314"	224.987906	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-2H+K"	36.948606
"1563614"	224.987906	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+K-2H"	36.948606
"951496"	233.037494	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-H+HCOOH"	44.998194
"366431"	421.076801	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+HCOOH-H"	44.998201
"349223"	435.092451	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+Hac-H"	59.013851
"1502431"	247.053151	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Hac-H"	59.013851
"969973"	255.019451	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-H+NaCOOH"	66.980151
"122893"	223.008702	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+2Cl"	69.938804
"565007"	317.028352	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+2Cl"	69.938804
"1036481"	128.989052	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2Cl"	69.938804
"1256302"	266.958185	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Br"	78.918885
"1318021"	269.014172	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Cl+HCOOH"	80.974872
"1335030"	290.996129	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Cl+NaCOOH"	102.956829
"917825"	301.024886	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M-H+CF3COOH"	112.985586
"1293441"	337.001564	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Cl+CF3COOH"	148.962264
"1371603"	153.026624	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H-2H2O"	-35.012676
"1385818"	171.0366	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H-H2O"	-17.0027
"288786"	377.085876	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+H"	1.007276
"677926"	565.125176	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+H"	1.007276
"1355370"	189.046576	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H"	1.007276
"135915"	189.046576	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+2H"	2.014552
"569279"	283.066226	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+2H"	2.014552
"1042088"	95.026926	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2H"	2.014552
"209989"	126.366809333333	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+3H"	3.021828
"652831"	189.046576	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+3H"	3.021828
"1166581"	63.6870426666667	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+3H"	3.021828
"429854"	394.112423	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+NH4"	18.033823
"791948"	582.151723	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+NH4"	18.033823
"1690467"	206.073123	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+NH4"	18.033823
"343123"	197.5598495	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+H+NH4"	19.041099
"731176"	291.5794995	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+H+NH4"	19.041099
"1487185"	103.5401995	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H+NH4"	19.041099
"401487"	399.067818	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+Na"	22.989218
"763579"	587.107118	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+Na"	22.989218
"1607299"	211.028518	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Na"	22.989218
"321708"	200.037547	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+H+Na"	23.996494
"711945"	294.057197	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+H+Na"	23.996494
"1465768"	106.017897	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H+Na"	23.996494
"1052837"	71.0143566666667	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2H+Na"	25.00377
"1260692"	221.072786	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+CH3OH+H"	33.033486
"383641"	415.041758	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+K"	38.963158
"750469"	603.081058	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+K"	38.963158
"1553981"	227.002458	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+K"	38.963158
"310425"	208.024517	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+H+K"	39.970434
"705766"	302.044167	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+H+K"	39.970434
"1457759"	114.004867	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H+K"	39.970434
"248913"	418.112426	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+ACN+H"	42.033826
"1223081"	230.073126	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+ACN+H"	42.033826
"1204050"	115.540201	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+ACN+2H"	43.041102
"199837"	421.04976	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+2Na-H"	44.97116
"635389"	609.08906	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+2Na-H"	44.97116
"1137804"	233.01046	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2Na-H"	44.97116
"178906"	211.028518	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+2Na"	45.978436
"621018"	305.048168	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+2Na"	45.978436
"1127441"	117.008868	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2Na"	45.978436
"1404405"	78.3416706666667	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H+2Na"	46.985712
"1438709"	235.052046	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H+HCOOH"	47.012746
"230230"	216.06154	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+3H2O+2H"	56.04448
"1523401"	249.10409	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+IsoProp+H"	61.06479
"417253"	219.015488	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+Na+K"	61.952376
"782624"	313.035138	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+Na+K"	61.952376
"1677861"	124.995838	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Na+K"	61.952376
"264383"	440.094368	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+ACN+Na"	64.015768
"1237453"	252.055068	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+ACN+Na"	64.015768
"1726341"	252.078593	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+NH4+HCOOH"	64.039293
"1188052"	85.6689846666667	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+3Na"	68.967654
"1665239"	257.033988	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Na+HCOOH"	68.994688
"169187"	452.99764	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+2K-H"	76.91904
"605463"	641.03694	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+2K-H"	76.91904
"1089611"	264.95834	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2K-H"	76.91904
"142781"	227.002458	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"2M+2K"	77.926316
"583433"	321.022108	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"3M+2K"	77.926316
"1077425"	132.982808	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2K"	77.926316
"1114281"	266.972892	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2K+H"	78.933592
"1348966"	267.060507	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+DMSO+H"	79.021207
"1019318"	271.099676	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2ACN+H"	83.060376
"1538782"	272.093308	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+IsoProp+Na+H"	84.054008
"1005601"	136.053476	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+2ACN+2H"	84.067652
"1596811"	273.007928	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+K+HCOOH"	84.968628
"1418100"	303.039438	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+H+CF3COOH"	115.000138
"1153861"	156.566751	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+3ACN+2H"	125.094202
"1702318"	320.065985	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+NH4+CF3COOH"	132.026685
"1640155"	325.02138	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+Na+CF3COOH"	136.98208
"1574715"	340.99532	"C06584"	"4-Chlorobiphenyl;1-Chloro-4-phenyl benzene;4-Monochloro-biphenyl"	"C12H9Cl"	"188.0393"	"M+K+CF3COOH"	152.95602
"813831"	222.0448	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M"	0
"987004"	203.02641	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-H2O-H"	-19.01839
"74154"	147.022590666667	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M-3H"	-3.021828
"514807"	221.037524	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M-3H"	-3.021828
"890786"	73.0076573333333	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-3H"	-3.021828
"2799"	221.037524	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M-2H"	-2.014552
"450012"	332.059924	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M-2H"	-2.014552
"822346"	110.015124	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-2H"	-2.014552
"86712"	443.082324	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M-H"	-1.007276
"527364"	665.127124	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M-H"	-1.007276
"897512"	221.037524	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-H"	-1.007276
"48605"	460.108871	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M-2H+NH4"	16.019271
"488042"	682.153671	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M-2H+NH4"	16.019271
"866702"	238.064071	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-2H+NH4"	16.019271
"45422"	465.064266	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M-2H+Na"	20.974666
"483281"	687.109066	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M-2H+Na"	20.974666
"862541"	243.019466	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-2H+Na"	20.974666
"1632438"	243.019466	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Na-2H"	20.974666
"108239"	239.025863	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M-H+Cl"	33.962126
"545615"	350.048263	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M-H+Cl"	33.962126
"940220"	128.003463	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-H+Cl"	33.962126
"280841"	479.059002	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+Cl"	34.969402
"675050"	701.103802	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+Cl"	34.969402
"1287127"	257.014202	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Cl"	34.969402
"29071"	481.038206	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M-2H+K"	36.948606
"465713"	703.083006	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M-2H+K"	36.948606
"843517"	258.993406	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-2H+K"	36.948606
"1565910"	258.993406	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+K-2H"	36.948606
"951607"	267.042994	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-H+HCOOH"	44.998194
"370914"	489.087801	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+HCOOH-H"	44.998201
"348239"	503.103451	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+Hac-H"	59.013851
"1504364"	281.058651	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Hac-H"	59.013851
"971178"	289.024951	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-H+NaCOOH"	66.980151
"121910"	257.014202	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+2Cl"	69.938804
"561837"	368.036602	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+2Cl"	69.938804
"1033553"	145.991802	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2Cl"	69.938804
"1255683"	300.963685	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Br"	78.918885
"1315944"	303.019672	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Cl+HCOOH"	80.974872
"1332347"	325.001629	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Cl+NaCOOH"	102.956829
"921218"	335.030386	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M-H+CF3COOH"	112.985586
"1299020"	371.007064	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Cl+CF3COOH"	148.962264
"1374994"	187.032124	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H-2H2O"	-35.012676
"1393585"	205.0421	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H-H2O"	-17.0027
"287801"	445.096876	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+H"	1.007276
"679129"	667.141676	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+H"	1.007276
"1355480"	223.052076	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H"	1.007276
"138214"	223.052076	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+2H"	2.014552
"573400"	334.074476	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+2H"	2.014552
"1042199"	112.029676	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2H"	2.014552
"210099"	149.037142666667	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+3H"	3.021828
"654034"	223.052076	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+3H"	3.021828
"1169972"	75.0222093333333	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+3H"	3.021828
"427778"	462.123423	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+NH4"	18.033823
"789872"	684.168223	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+NH4"	18.033823
"1689484"	240.078623	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+NH4"	18.033823
"342140"	231.5653495	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+H+NH4"	19.041099
"733474"	342.5877495	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+H+NH4"	19.041099
"1489119"	120.5429495	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H+NH4"	19.041099
"401597"	467.078818	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+Na"	22.989218
"764782"	689.123618	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+Na"	22.989218
"1607413"	245.034018	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Na"	22.989218
"322914"	234.043047	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+H+Na"	23.996494
"712057"	345.065447	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+H+Na"	23.996494
"1469888"	123.020647	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H+Na"	23.996494
"1058031"	82.3495233333333	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2H+Na"	25.00377
"1265176"	255.078286	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+CH3OH+H"	33.033486
"384845"	483.052758	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+K"	38.963158
"751308"	705.097558	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+K"	38.963158
"1552269"	261.007958	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+K"	38.963158
"310536"	242.030017	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+H+K"	39.970434
"704055"	353.052417	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+H+K"	39.970434
"1459330"	131.007617	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H+K"	39.970434
"248660"	486.123426	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+ACN+H"	42.033826
"1221733"	264.078626	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+ACN+H"	42.033826
"1201974"	132.542951	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+ACN+2H"	43.041102
"197029"	489.06076	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+2Na-H"	44.97116
"636595"	711.10556	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+2Na-H"	44.97116
"1141194"	267.01596	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2Na-H"	44.97116
"177194"	245.034018	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+2Na"	45.978436
"621128"	356.056418	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+2Na"	45.978436
"1124272"	134.011618	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2Na"	45.978436
"1409619"	89.6768373333333	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H+2Na"	46.985712
"1442103"	269.057546	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H+HCOOH"	47.012746
"228515"	250.06704	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+3H2O+2H"	56.04448
"1522054"	283.10959	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+IsoProp+H"	61.06479
"418821"	253.020988	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+Na+K"	61.952376
"782006"	364.043388	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+Na+K"	61.952376
"1677971"	141.998588	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Na+K"	61.952376
"264493"	508.105368	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+ACN+Na"	64.015768
"1239021"	286.060568	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+ACN+Na"	64.015768
"1727302"	286.084093	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+NH4+HCOOH"	64.039293
"1188527"	97.0041513333333	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+3Na"	68.967654
"1664255"	291.039488	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Na+HCOOH"	68.994688
"171360"	521.00864	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+2K-H"	76.91904
"600839"	743.05344	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+2K-H"	76.91904
"1099446"	298.96384	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2K-H"	76.91904
"146901"	261.007958	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"2M+2K"	77.926316
"589741"	372.030358	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"3M+2K"	77.926316
"1080817"	149.985558	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2K"	77.926316
"1111840"	300.978392	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2K+H"	78.933592
"1349318"	301.066007	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+DMSO+H"	79.021207
"1020529"	305.105176	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2ACN+H"	83.060376
"1538894"	306.098808	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+IsoProp+Na+H"	84.054008
"1004979"	153.056226	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+2ACN+2H"	84.067652
"1599109"	307.013428	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+K+HCOOH"	84.968628
"1423675"	337.044938	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+H+CF3COOH"	115.000138
"1155064"	173.569501	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+3ACN+2H"	125.094202
"1704615"	354.071485	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+NH4+CF3COOH"	132.026685
"1640265"	359.02688	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+Na+CF3COOH"	136.98208
"1573732"	375.00082	"C06585"	"cis-23-Dihydro-23-dihydroxy-4-chlorobiphenyl"	"C12H11ClO2"	"222.0448"	"M+K+CF3COOH"	152.95602
"816821"	220.0291	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M"	0
"986387"	201.01071	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-H2O-H"	-19.01839
"74629"	145.678790666667	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M-3H"	-3.021828
"514191"	219.021824	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M-3H"	-3.021828
"890899"	72.3357573333333	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-3H"	-3.021828
"10564"	219.021824	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M-2H"	-2.014552
"450124"	329.036374	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M-2H"	-2.014552
"829017"	109.007274	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-2H"	-2.014552
"89009"	439.050924	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M-H"	-1.007276
"526381"	659.080024	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M-H"	-1.007276
"900903"	219.021824	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-H"	-1.007276
"49811"	456.077471	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M-2H+NH4"	16.019271
"490464"	676.106571	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M-2H+NH4"	16.019271
"866447"	236.048371	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-2H+NH4"	16.019271
"44922"	461.032866	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M-2H+Na"	20.974666
"483388"	681.061966	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M-2H+Na"	20.974666
"863462"	241.003766	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-2H+Na"	20.974666
"1633729"	241.003766	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Na-2H"	20.974666
"109445"	237.010163	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M-H+Cl"	33.962126
"549573"	347.024713	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M-H+Cl"	33.962126
"941789"	126.995613	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-H+Cl"	33.962126
"281322"	475.027602	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+Cl"	34.969402
"675198"	695.056702	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+Cl"	34.969402
"1287117"	254.998502	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Cl"	34.969402
"29545"	477.006806	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M-2H+K"	36.948606
"470806"	697.035906	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M-2H+K"	36.948606
"843626"	256.977706	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-2H+K"	36.948606
"1569302"	256.977706	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+K-2H"	36.948606
"954631"	265.027294	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-H+HCOOH"	44.998194
"368836"	485.056401	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+HCOOH-H"	44.998201
"352724"	499.072051	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+Hac-H"	59.013851
"1501558"	279.042951	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Hac-H"	59.013851
"970559"	287.009251	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-H+NaCOOH"	66.980151
"122017"	254.998502	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+2Cl"	69.938804
"563769"	365.013052	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+2Cl"	69.938804
"1035119"	144.983952	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2Cl"	69.938804
"1254699"	298.947985	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Br"	78.918885
"1318241"	301.003972	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Cl+HCOOH"	80.974872
"1331362"	322.985929	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Cl+NaCOOH"	102.956829
"918049"	333.014686	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M-H+CF3COOH"	112.985586
"1299130"	368.991364	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Cl+CF3COOH"	148.962264
"1371824"	185.016424	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H-2H2O"	-35.012676
"1395154"	203.0264	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H-H2O"	-17.0027
"286819"	441.065476	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+H"	1.007276
"682520"	661.094576	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+H"	1.007276
"1362151"	221.036376	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H"	1.007276
"140511"	221.036376	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+2H"	2.014552
"576792"	331.050926	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+2H"	2.014552
"1047781"	111.021826	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2H"	2.014552
"213499"	147.693342666667	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+3H"	3.021828
"657435"	221.036376	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+3H"	3.021828
"1172277"	74.3503093333333	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+3H"	3.021828
"432266"	458.092023	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+NH4"	18.033823
"795448"	678.121123	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+NH4"	18.033823
"1690683"	238.062923	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+NH4"	18.033823
"336778"	229.5496495	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+H+NH4"	19.041099
"730293"	339.5641995	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+H+NH4"	19.041099
"1480836"	119.5350995	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H+NH4"	19.041099
"405720"	463.047418	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+Na"	22.989218
"765979"	683.076518	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+Na"	22.989218
"1609708"	243.018318	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Na"	22.989218
"324119"	232.027347	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+H+Na"	23.996494
"714355"	342.041897	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+H+Na"	23.996494
"1470362"	122.012797	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H+Na"	23.996494
"1061424"	81.6776233333333	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2H+Na"	25.00377
"1271487"	253.062586	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+CH3OH+H"	33.033486
"391521"	479.021358	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+K"	38.963158
"752516"	699.050458	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+K"	38.963158
"1555184"	258.992258	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+K"	38.963158
"313206"	240.014317	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+H+K"	39.970434
"704901"	350.028867	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+H+K"	39.970434
"1461180"	129.999767	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H+K"	39.970434
"250843"	482.092026	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+ACN+H"	42.033826
"1224971"	262.062926	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+ACN+H"	42.033826
"1205732"	131.535101	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+ACN+2H"	43.041102
"202975"	485.02936	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+2Na-H"	44.97116
"641810"	705.05846	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+2Na-H"	44.97116
"1143492"	265.00026	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2Na-H"	44.97116
"183502"	243.018318	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+2Na"	45.978436
"626954"	353.032868	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+2Na"	45.978436
"1126568"	133.003768	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2Na"	45.978436
"1404627"	89.0049373333333	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H+2Na"	46.985712
"1441482"	267.041846	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H+HCOOH"	47.012746
"229720"	248.05134	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+3H2O+2H"	56.04448
"1520341"	281.09389	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+IsoProp+H"	61.06479
"415287"	251.005288	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+Na+K"	61.952376
"778471"	361.019838	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+Na+K"	61.952376
"1676258"	140.990738	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Na+K"	61.952376
"261323"	504.073968	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+ACN+Na"	64.015768
"1236947"	284.044868	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+ACN+Na"	64.015768
"1723281"	284.068393	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+NH4+HCOOH"	64.039293
"1189002"	96.3322513333333	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+3Na"	68.967654
"1661449"	289.023788	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Na+HCOOH"	68.994688
"168312"	516.97724	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+2K-H"	76.91904
"599856"	737.00634	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+2K-H"	76.91904
"1093481"	296.94814	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2K-H"	76.91904
"148109"	258.992258	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"2M+2K"	77.926316
"589852"	369.006808	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"3M+2K"	77.926316
"1079833"	148.977708	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2K"	77.926316
"1112801"	298.962692	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2K+H"	78.933592
"1347239"	299.050307	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+DMSO+H"	79.021207
"1018931"	303.089476	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2ACN+H"	83.060376
"1539122"	304.083108	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+IsoProp+Na+H"	84.054008
"1004476"	152.048376	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+2ACN+2H"	84.067652
"1595939"	304.997728	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+K+HCOOH"	84.968628
"1419412"	335.029238	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+H+CF3COOH"	115.000138
"1154081"	172.561651	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+3ACN+2H"	125.094202
"1705818"	352.055785	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+NH4+CF3COOH"	132.026685
"1640375"	357.01118	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+Na+CF3COOH"	136.98208
"1574206"	372.98512	"C06586"	"23-Dihydroxy-4-chlorobiphenyl"	"C12H9ClO2"	"220.0291"	"M+K+CF3COOH"	152.95602
"810771"	252.0189	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M"	0
"989048"	233.00051	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-H2O-H"	-19.01839
"76198"	167.005324	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M-3H"	-3.021828
"517216"	251.011624	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M-3H"	-3.021828
"894287"	82.999024	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-3H"	-3.021828
"9580"	251.011624	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M-2H"	-2.014552
"452419"	377.021074	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M-2H"	-2.014552
"824752"	125.002174	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-2H"	-2.014552
"89119"	503.030524	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M-H"	-1.007276
"524305"	755.049424	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M-H"	-1.007276
"899191"	251.011624	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-H"	-1.007276
"49557"	520.057071	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M-2H+NH4"	16.019271
"488139"	772.075971	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M-2H+NH4"	16.019271
"867650"	268.038171	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-2H+NH4"	16.019271
"45032"	525.012466	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M-2H+Na"	20.974666
"483498"	777.031366	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M-2H+Na"	20.974666
"864019"	272.993566	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-2H+Na"	20.974666
"1633596"	272.993566	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Na-2H"	20.974666
"109758"	268.999963	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M-H+Cl"	33.962126
"549485"	395.009413	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M-H+Cl"	33.962126
"941533"	142.990513	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-H+Cl"	33.962126
"281677"	539.007202	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+Cl"	34.969402
"674455"	791.026102	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+Cl"	34.969402
"1287995"	286.988302	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Cl"	34.969402
"29655"	540.986406	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M-2H+K"	36.948606
"470308"	793.005306	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M-2H+K"	36.948606
"842643"	288.967506	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-2H+K"	36.948606
"1569412"	288.967506	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+K-2H"	36.948606
"955105"	297.017094	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-H+HCOOH"	44.998194
"367853"	549.036001	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+HCOOH-H"	44.998201
"352834"	563.051651	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+Hac-H"	59.013851
"1502761"	311.032751	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Hac-H"	59.013851
"971762"	318.999051	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-H+NaCOOH"	66.980151
"121398"	286.988302	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+2Cl"	69.938804
"563150"	412.997752	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+2Cl"	69.938804
"1035229"	160.978852	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2Cl"	69.938804
"1253716"	330.937785	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Br"	78.918885
"1317987"	332.993772	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Cl+HCOOH"	80.974872
"1331472"	354.975729	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Cl+NaCOOH"	102.956829
"914879"	365.004486	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M-H+CF3COOH"	112.985586
"1292679"	400.981164	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Cl+CF3COOH"	148.962264
"1371934"	217.006224	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H-2H2O"	-35.012676
"1390524"	235.0162	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H-H2O"	-17.0027
"289117"	505.045076	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+H"	1.007276
"681535"	757.063976	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+H"	1.007276
"1361168"	253.026176	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H"	1.007276
"139163"	253.026176	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+2H"	2.014552
"574713"	379.035626	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+2H"	2.014552
"1043516"	127.016726	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2H"	2.014552
"213245"	169.019876	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+3H"	3.021828
"650982"	253.026176	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+3H"	3.021828
"1172023"	85.013576	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+3H"	3.021828
"432376"	522.071623	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+NH4"	18.033823
"794464"	774.090523	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+NH4"	18.033823
"1690792"	270.052723	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+NH4"	18.033823
"334701"	261.5394495	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+H+NH4"	19.041099
"729310"	387.5488995	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+H+NH4"	19.041099
"1480945"	135.5299995	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H+NH4"	19.041099
"405099"	527.027018	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+Na"	22.989218
"764996"	779.045918	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+Na"	22.989218
"1609819"	275.008118	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Na"	22.989218
"320949"	264.017147	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+H+Na"	23.996494
"714465"	390.026597	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+H+Na"	23.996494
"1470472"	138.007697	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H+Na"	23.996494
"1063721"	92.34089	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2H+Na"	25.00377
"1267585"	285.052386	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+CH3OH+H"	33.033486
"392480"	543.000958	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+K"	38.963158
"753353"	795.019858	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+K"	38.963158
"1554681"	290.982058	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+K"	38.963158
"313925"	272.004117	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+H+K"	39.970434
"705373"	398.013567	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+H+K"	39.970434
"1461055"	145.994667	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H+K"	39.970434
"250466"	546.071626	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+ACN+H"	42.033826
"1223781"	294.052726	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+ACN+H"	42.033826
"1204383"	147.530001	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+ACN+2H"	43.041102
"200169"	549.00896	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+2Na-H"	44.97116
"639733"	801.02786	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+2Na-H"	44.97116
"1138499"	296.99006	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2Na-H"	44.97116
"180332"	275.008118	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+2Na"	45.978436
"620986"	401.017568	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+2Na"	45.978436
"1123399"	148.998668	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2Na"	45.978436
"1402549"	99.668204	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H+2Na"	46.985712
"1439039"	299.031646	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H+HCOOH"	47.012746
"227643"	280.04114	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+3H2O+2H"	56.04448
"1522638"	313.08369	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+IsoProp+H"	61.06479
"416490"	282.995088	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+Na+K"	61.952376
"778579"	409.004538	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+Na+K"	61.952376
"1677096"	156.985638	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Na+K"	61.952376
"263617"	568.053568	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+ACN+Na"	64.015768
"1237422"	316.034668	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+ACN+Na"	64.015768
"1725941"	316.058193	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+NH4+HCOOH"	64.039293
"1188382"	106.995518	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+3Na"	68.967654
"1658277"	321.013588	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Na+HCOOH"	68.994688
"167327"	580.95684	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+2K-H"	76.91904
"606888"	832.97574	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+2K-H"	76.91904
"1096869"	328.93794	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2K-H"	76.91904
"144210"	290.982058	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"2M+2K"	77.926316
"587775"	416.991508	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"3M+2K"	77.926316
"1077755"	164.972608	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2K"	77.926316
"1110964"	330.952492	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2K+H"	78.933592
"1345161"	331.040107	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+DMSO+H"	79.021207
"1013695"	335.079276	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2ACN+H"	83.060376
"1536194"	336.072908	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+IsoProp+Na+H"	84.054008
"999358"	168.043276	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+2ACN+2H"	84.067652
"1592770"	336.987528	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+K+HCOOH"	84.968628
"1416243"	367.019038	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+H+CF3COOH"	115.000138
"1152004"	188.556551	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+3ACN+2H"	125.094202
"1703741"	384.045585	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+NH4+CF3COOH"	132.026685
"1640485"	389.00098	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+Na+CF3COOH"	136.98208
"1574316"	404.97492	"C06587"	"2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-24-dienoate"	"C12H9ClO4"	"252.0189"	"M+K+CF3COOH"	152.95602
"810881"	154.0783	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M"	0
"987700"	135.05991	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-H2O-H"	-19.01839
"77036"	101.711590666667	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M-3H"	-3.021828
"516595"	153.071024	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M-3H"	-3.021828
"893303"	50.3521573333333	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-3H"	-3.021828
"9690"	153.071024	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M-2H"	-2.014552
"451437"	230.110174	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M-2H"	-2.014552
"824862"	76.031874	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-2H"	-2.014552
"90322"	307.149324	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M-H"	-1.007276
"527695"	461.227624	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M-H"	-1.007276
"901124"	153.071024	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-H"	-1.007276
"47844"	324.175871	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M-2H+NH4"	16.019271
"488372"	478.254171	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M-2H+NH4"	16.019271
"865935"	170.097571	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-2H+NH4"	16.019271
"41861"	329.131266	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M-2H+Na"	20.974666
"483608"	483.209566	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M-2H+Na"	20.974666
"863234"	175.052966	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-2H+Na"	20.974666
"1634032"	175.052966	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Na-2H"	20.974666
"109910"	171.059363	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M-H+Cl"	33.962126
"549673"	248.098513	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M-H+Cl"	33.962126
"941643"	94.020213	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-H+Cl"	33.962126
"281907"	343.126002	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+Cl"	34.969402
"675051"	497.204302	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+Cl"	34.969402
"1287656"	189.047702	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Cl"	34.969402
"29037"	345.105206	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M-2H+K"	36.948606
"468232"	499.183506	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M-2H+K"	36.948606
"843846"	191.026906	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-2H+K"	36.948606
"1569157"	191.026906	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+K-2H"	36.948606
"955215"	199.076494	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-H+HCOOH"	44.998194
"367963"	353.154801	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+HCOOH-H"	44.998201
"352944"	367.170451	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+Hac-H"	59.013851
"1503964"	213.092151	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Hac-H"	59.013851
"971872"	221.058451	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-H+NaCOOH"	66.980151
"123331"	189.047702	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+2Cl"	69.938804
"563261"	266.086852	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+2Cl"	69.938804
"1035339"	112.008552	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2Cl"	69.938804
"1256378"	232.997185	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Br"	78.918885
"1318097"	235.053172	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Cl+HCOOH"	80.974872
"1332676"	257.035129	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Cl+NaCOOH"	102.956829
"917176"	267.063886	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M-H+CF3COOH"	112.985586
"1297162"	303.040564	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Cl+CF3COOH"	148.962264
"1373137"	119.065624	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H-2H2O"	-35.012676
"1393914"	137.0756	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H-H2O"	-17.0027
"290320"	309.163876	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+H"	1.007276
"680552"	463.242176	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+H"	1.007276
"1360185"	155.085576	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H"	1.007276
"137816"	155.085576	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+2H"	2.014552
"574823"	232.124726	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+2H"	2.014552
"1044719"	78.046426	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2H"	2.014552
"211532"	103.726142666667	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+3H"	3.021828
"648905"	155.085576	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+3H"	3.021828
"1170310"	52.3667093333333	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+3H"	3.021828
"433579"	326.190423	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+NH4"	18.033823
"794574"	480.268723	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+NH4"	18.033823
"1688716"	172.112123	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+NH4"	18.033823
"334082"	163.5988495	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+H+NH4"	19.041099
"728327"	240.6379995	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+H+NH4"	19.041099
"1481055"	86.5596995	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H+NH4"	19.041099
"404117"	331.145818	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+Na"	22.989218
"768390"	485.224118	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+Na"	22.989218
"1609928"	177.067518	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Na"	22.989218
"319965"	166.076547	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+H+Na"	23.996494
"713482"	243.115697	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+H+Na"	23.996494
"1471675"	89.037397	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H+Na"	23.996494
"1064923"	59.6940233333333	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2H+Na"	25.00377
"1270975"	187.111786	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+CH3OH+H"	33.033486
"392590"	347.119758	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+K"	38.963158
"752736"	501.198058	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+K"	38.963158
"1555155"	193.041458	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+K"	38.963158
"313913"	174.063517	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+H+K"	39.970434
"705848"	251.102667	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+H+K"	39.970434
"1461124"	97.024367	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H+K"	39.970434
"251335"	350.190426	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+ACN+H"	42.033826
"1224744"	196.112126	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+ACN+H"	42.033826
"1205585"	98.559701	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+ACN+2H"	43.041102
"203195"	353.12776	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+2Na-H"	44.97116
"636926"	507.20606	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+2Na-H"	44.97116
"1139338"	199.04946	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2Na-H"	44.97116
"180442"	177.067518	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+2Na"	45.978436
"617816"	254.106668	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+2Na"	45.978436
"1124602"	100.028368	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2Na"	45.978436
"1402659"	67.0213373333333	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H+2Na"	46.985712
"1440242"	201.091046	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H+HCOOH"	47.012746
"225565"	182.10054	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+3H2O+2H"	56.04448
"1512535"	215.14309	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+IsoProp+H"	61.06479
"416600"	185.054488	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+Na+K"	61.952376
"777596"	262.093638	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+Na+K"	61.952376
"1673924"	108.015338	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Na+K"	61.952376
"261537"	372.172368	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+ACN+Na"	64.015768
"1235344"	218.094068	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+ACN+Na"	64.015768
"1724226"	218.117593	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+NH4+HCOOH"	64.039293
"1190675"	74.3486513333333	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+3Na"	68.967654
"1656199"	223.072988	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Na+HCOOH"	68.994688
"165248"	385.07564	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+2K-H"	76.91904
"608090"	539.15394	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+2K-H"	76.91904
"1094792"	230.99734	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2K-H"	76.91904
"148329"	193.041458	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"2M+2K"	77.926316
"588979"	270.080608	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"3M+2K"	77.926316
"1077866"	116.002308	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2K"	77.926316
"1111075"	233.011892	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2K+H"	78.933592
"1344180"	233.099507	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+DMSO+H"	79.021207
"1014898"	237.138676	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2ACN+H"	83.060376
"1536303"	238.132308	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+IsoProp+Na+H"	84.054008
"998375"	119.072976	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+2ACN+2H"	84.067652
"1595067"	239.046928	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+K+HCOOH"	84.968628
"1418540"	269.078438	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+H+CF3COOH"	115.000138
"1152113"	139.586251	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+3ACN+2H"	125.094202
"1702757"	286.104985	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+NH4+CF3COOH"	132.026685
"1640595"	291.06038	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+Na+CF3COOH"	136.98208
"1574426"	307.03432	"C06588"	"Biphenyl;Phenylbenzene;11-Biphenyl;11-Diphenyl"	"C12H10"	"154.0783"	"M+K+CF3COOH"	152.95602
"814271"	188.0837	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M"	0
"987809"	169.06531	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-H2O-H"	-19.01839
"76052"	124.381857333333	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M-3H"	-3.021828
"514518"	187.076424	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M-3H"	-3.021828
"891593"	61.6872906666667	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-3H"	-3.021828
"11989"	187.076424	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M-2H"	-2.014552
"451549"	281.118274	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M-2H"	-2.014552
"824973"	93.034574	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-2H"	-2.014552
"89339"	375.160124	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M-H"	-1.007276
"527805"	563.243824	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M-H"	-1.007276
"900141"	187.076424	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-H"	-1.007276
"48676"	392.186671	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M-2H+NH4"	16.019271
"488602"	580.270371	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M-2H+NH4"	16.019271
"865308"	204.102971	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-2H+NH4"	16.019271
"32604"	397.142066	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M-2H+Na"	20.974666
"472775"	585.225766	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M-2H+Na"	20.974666
"856052"	209.058366	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-2H+Na"	20.974666
"1625586"	209.058366	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Na-2H"	20.974666
"97740"	205.064763	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M-H+Cl"	33.962126
"542768"	299.106613	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M-H+Cl"	33.962126
"939563"	111.022913	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-H+Cl"	33.962126
"279823"	411.136802	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+Cl"	34.969402
"665073"	599.220502	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+Cl"	34.969402
"1280757"	223.053102	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Cl"	34.969402
"28781"	413.116006	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M-2H+K"	36.948606
"466154"	601.199706	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M-2H+K"	36.948606
"840675"	225.032306	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-2H+K"	36.948606
"1564162"	225.032306	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+K-2H"	36.948606
"946577"	233.081894	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-H+HCOOH"	44.998194
"366978"	421.165601	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+HCOOH-H"	44.998201
"353054"	435.181251	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+Hac-H"	59.013851
"1498969"	247.097551	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Hac-H"	59.013851
"963962"	255.063851	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-H+NaCOOH"	66.980151
"122712"	223.053102	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+2Cl"	69.938804
"563369"	317.094952	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+2Cl"	69.938804
"1035450"	129.011252	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2Cl"	69.938804
"1253937"	267.002585	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Br"	78.918885
"1316385"	269.058572	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Cl+HCOOH"	80.974872
"1331692"	291.040529	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Cl+NaCOOH"	102.956829
"915098"	301.069286	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M-H+CF3COOH"	112.985586
"1297272"	337.045964	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Cl+CF3COOH"	148.962264
"1372154"	153.071024	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H-2H2O"	-35.012676
"1390741"	171.081	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H-H2O"	-17.0027
"289337"	377.174676	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+H"	1.007276
"681755"	565.258376	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+H"	1.007276
"1358108"	189.090976	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H"	1.007276
"137561"	189.090976	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+2H"	2.014552
"574933"	283.132826	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+2H"	2.014552
"1044829"	95.049126	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2H"	2.014552
"212735"	126.396409333333	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+3H"	3.021828
"650108"	189.090976	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+3H"	3.021828
"1171513"	63.7018426666667	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+3H"	3.021828
"434782"	394.201223	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+NH4"	18.033823
"794684"	582.284923	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+NH4"	18.033823
"1688826"	206.117523	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+NH4"	18.033823
"334192"	197.6042495	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+H+NH4"	19.041099
"728437"	291.6460995	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+H+NH4"	19.041099
"1481165"	103.5623995	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H+NH4"	19.041099
"400948"	399.156618	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+Na"	22.989218
"760849"	587.240318	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+Na"	22.989218
"1605663"	211.072918	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Na"	22.989218
"317888"	200.081947	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+H+Na"	23.996494
"708122"	294.123797	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+H+Na"	23.996494
"1468506"	106.040097	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H+Na"	23.996494
"1061752"	71.0291566666667	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2H+Na"	25.00377
"1266710"	221.117186	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+CH3OH+H"	33.033486
"390389"	415.130558	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+K"	38.963158
"749928"	603.214258	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+K"	38.963158
"1554048"	227.046858	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+K"	38.963158
"312803"	208.068917	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+H+K"	39.970434
"705954"	302.110767	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+H+K"	39.970434
"1458315"	114.027067	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H+K"	39.970434
"247280"	418.201226	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+ACN+H"	42.033826
"1221811"	230.117526	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+ACN+H"	42.033826
"1204602"	115.562401	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+ACN+2H"	43.041102
"201481"	421.13856	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+2Na-H"	44.97116
"635943"	609.22226	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+2Na-H"	44.97116
"1136532"	233.05486	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2Na-H"	44.97116
"176177"	211.072918	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+2Na"	45.978436
"617925"	305.114768	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+2Na"	45.978436
"1121428"	117.031068	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2Na"	45.978436
"1400944"	78.3564706666667	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H+2Na"	46.985712
"1437072"	235.096446	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H+HCOOH"	47.012746
"224582"	216.10594	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+3H2O+2H"	56.04448
"1511552"	249.14849	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+IsoProp+H"	61.06479
"417803"	219.059888	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+Na+K"	61.952376
"779525"	313.101738	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+Na+K"	61.952376
"1675856"	125.018038	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Na+K"	61.952376
"260554"	440.183168	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+ACN+Na"	64.015768
"1236546"	252.099468	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+ACN+Na"	64.015768
"1723242"	252.122993	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+NH4+HCOOH"	64.039293
"1187504"	85.6837846666667	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+3Na"	68.967654
"1656309"	257.078388	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Na+HCOOH"	68.994688
"164265"	453.08644	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+2K-H"	76.91904
"608200"	641.17014	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+2K-H"	76.91904
"1095995"	265.00274	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2K-H"	76.91904
"153904"	227.046858	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"2M+2K"	77.926316
"587997"	321.088708	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"3M+2K"	77.926316
"1076883"	133.005008	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2K"	77.926316
"1111185"	267.017292	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2K+H"	78.933592
"1346477"	267.104907	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+DMSO+H"	79.021207
"1013913"	271.144076	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2ACN+H"	83.060376
"1536412"	272.137708	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+IsoProp+Na+H"	84.054008
"998486"	136.075676	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+2ACN+2H"	84.067652
"1595177"	273.052328	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+K+HCOOH"	84.968628
"1421930"	303.083838	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+H+CF3COOH"	115.000138
"1152223"	156.588951	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+3ACN+2H"	125.094202
"1702868"	320.110385	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+NH4+CF3COOH"	132.026685
"1640705"	325.06578	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+Na+CF3COOH"	136.98208
"1572349"	341.03972	"C06589"	"cis-23-Dihydro-23-dihydroxybiphenyl;cis-3-Phenylcyclohexa-35-diene-12-diol;(1S2R)-3-Phenylcyclohexa-35-diene-12-diol"	"C12H12O2"	"188.0837"	"M+K+CF3COOH"	152.95602
"802354"	113.0841	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M"	0
"984635"	94.06571	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-H2O-H"	-19.01839
"76886"	74.382124	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M-3H"	-3.021828
"511345"	112.076824	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M-3H"	-3.021828
"892427"	36.687424	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-3H"	-3.021828
"13187"	112.076824	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M-2H"	-2.014552
"446189"	168.618874	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M-2H"	-2.014552
"822895"	55.534774	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-2H"	-2.014552
"85075"	225.160924	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M-H"	-1.007276
"520626"	338.245024	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M-H"	-1.007276
"898061"	112.076824	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-H"	-1.007276
"48425"	242.187471	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M-2H+NH4"	16.019271
"488711"	355.271571	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M-2H+NH4"	16.019271
"866889"	129.103371	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-2H+NH4"	16.019271
"32961"	247.142866	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M-2H+Na"	20.974666
"472279"	360.226966	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M-2H+Na"	20.974666
"851056"	134.058766	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-2H+Na"	20.974666
"1624603"	134.058766	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Na-2H"	20.974666
"106964"	130.065163	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M-H+Cl"	33.962126
"547254"	186.607213	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M-H+Cl"	33.962126
"939312"	73.523113	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-H+Cl"	33.962126
"273856"	261.137602	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+Cl"	34.969402
"669558"	374.221702	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+Cl"	34.969402
"1280868"	148.053502	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Cl"	34.969402
"22331"	263.116806	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M-2H+K"	36.948606
"466264"	376.200906	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M-2H+K"	36.948606
"840785"	150.032706	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-2H+K"	36.948606
"1567552"	150.032706	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+K-2H"	36.948606
"949968"	158.082294	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-H+HCOOH"	44.998194
"372564"	271.166401	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+HCOOH-H"	44.998201
"357540"	285.182051	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+Hac-H"	59.013851
"1503095"	172.097951	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Hac-H"	59.013851
"969541"	180.064251	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-H+NaCOOH"	66.980151
"119547"	148.053502	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+2Cl"	69.938804
"561293"	204.595552	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+2Cl"	69.938804
"1035197"	91.511452	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2Cl"	69.938804
"1251861"	192.002985	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Br"	78.918885
"1316495"	194.058972	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Cl+HCOOH"	80.974872
"1331803"	216.040929	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Cl+NaCOOH"	102.956829
"923953"	226.069686	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M-H+CF3COOH"	112.985586
"1297381"	262.046364	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Cl+CF3COOH"	148.962264
"1371168"	78.071424	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H-2H2O"	-35.012676
"1385382"	96.0814	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H-H2O"	-17.0027
"289447"	227.175476	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+H"	1.007276
"679682"	340.259576	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+H"	1.007276
"1363688"	114.091376	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H"	1.007276
"133298"	114.091376	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+2H"	2.014552
"575047"	170.633426	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+2H"	2.014552
"1047129"	57.549326	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2H"	2.014552
"215028"	76.396676	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+3H"	3.021828
"651308"	114.091376	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+3H"	3.021828
"1169434"	38.701976	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+3H"	3.021828
"434893"	244.202023	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+NH4"	18.033823
"795889"	357.286123	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+NH4"	18.033823
"1686752"	131.117923	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+NH4"	18.033823
"337220"	122.6046495	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+H+NH4"	19.041099
"728549"	179.1466995	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+H+NH4"	19.041099
"1485652"	66.0625995	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H+NH4"	19.041099
"404332"	249.157418	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+Na"	22.989218
"755243"	362.241518	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+Na"	22.989218
"1607231"	136.073318	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Na"	22.989218
"319090"	125.082347	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+H+Na"	23.996494
"710419"	181.624397	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+H+Na"	23.996494
"1468614"	68.540297	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H+Na"	23.996494
"1058579"	46.02929	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2H+Na"	25.00377
"1266820"	146.117586	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+CH3OH+H"	33.033486
"389407"	265.131358	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+K"	38.963158
"750769"	378.215458	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+K"	38.963158
"1551366"	152.047258	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+K"	38.963158
"310363"	133.069317	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+H+K"	39.970434
"703506"	189.611367	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+H+K"	39.970434
"1457328"	76.527267	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H+K"	39.970434
"248482"	268.202026	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+ACN+H"	42.033826
"1218642"	155.117926	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+ACN+H"	42.033826
"1199243"	78.062601	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+ACN+2H"	43.041102
"195393"	271.13936	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+2Na-H"	44.97116
"633863"	384.22346	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+2Na-H"	44.97116
"1135184"	158.05526	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2Na-H"	44.97116
"174100"	136.073318	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+2Na"	45.978436
"615483"	192.615368	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+2Na"	45.978436
"1120807"	79.531268	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2Na"	45.978436
"1402509"	53.356604	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H+2Na"	46.985712
"1438278"	160.096846	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H+HCOOH"	47.012746
"231255"	141.10634	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+3H2O+2H"	56.04448
"1518958"	174.14889	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+IsoProp+H"	61.06479
"416821"	144.060288	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+Na+K"	61.952376
"778911"	200.602338	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+Na+K"	61.952376
"1676335"	87.518238	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Na+K"	61.952376
"260667"	290.183968	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+ACN+Na"	64.015768
"1237383"	177.099868	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+ACN+Na"	64.015768
"1718979"	177.123393	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+NH4+HCOOH"	64.039293
"1186527"	60.683918	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+3Na"	68.967654
"1656421"	182.078788	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Na+HCOOH"	68.994688
"167659"	303.08724	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+2K-H"	76.91904
"608312"	416.17134	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+2K-H"	76.91904
"1095013"	190.00314	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2K-H"	76.91904
"152919"	152.047258	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"2M+2K"	77.926316
"592480"	208.589308	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"3M+2K"	77.926316
"1076992"	95.505208	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2K"	77.926316
"1109107"	192.017692	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2K+H"	78.933592
"1344398"	192.105307	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+DMSO+H"	79.021207
"1015116"	196.144476	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2ACN+H"	83.060376
"1535429"	197.138108	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+IsoProp+Na+H"	84.054008
"993129"	98.575876	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+2ACN+2H"	84.067652
"1587632"	198.052728	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+K+HCOOH"	84.968628
"1414631"	228.084238	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+H+CF3COOH"	115.000138
"1150147"	119.089151	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+3ACN+2H"	125.094202
"1698968"	245.110785	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+NH4+CF3COOH"	132.026685
"1643007"	250.06618	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+Na+CF3COOH"	136.98208
"1580844"	266.04012	"C06593"	"epsilon-Caprolactam"	"C6H11NO"	"113.0841"	"M+K+CF3COOH"	152.95602
"804651"	179.93	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M"	0
"984745"	160.91161	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-H2O-H"	-19.01839
"76267"	118.946057333333	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M-3H"	-3.021828
"510361"	178.922724	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M-3H"	-3.021828
"892536"	58.9693906666667	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-3H"	-3.021828
"13297"	178.922724	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M-2H"	-2.014552
"447391"	268.887724	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M-2H"	-2.014552
"825192"	88.957724	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-2H"	-2.014552
"88464"	358.852724	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M-H"	-1.007276
"526931"	538.782724	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M-H"	-1.007276
"898538"	178.922724	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-H"	-1.007276
"49992"	375.879271	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M-2H+NH4"	16.019271
"488336"	555.809271	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M-2H+NH4"	16.019271
"867729"	195.949271	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-2H+NH4"	16.019271
"34895"	380.834666	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M-2H+Na"	20.974666
"475553"	560.764666	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M-2H+Na"	20.974666
"851894"	200.904666	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-2H+Na"	20.974666
"1623618"	200.904666	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Na-2H"	20.974666
"107802"	196.911063	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M-H+Cl"	33.962126
"548824"	286.876063	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M-H+Cl"	33.962126
"941859"	106.946063	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-H+Cl"	33.962126
"277977"	394.829402	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+Cl"	34.969402
"672222"	574.759402	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+Cl"	34.969402
"1284261"	214.899402	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Cl"	34.969402
"24627"	396.808606	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M-2H+K"	36.948606
"463095"	576.738606	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M-2H+K"	36.948606
"837616"	216.878606	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-2H+K"	36.948606
"1564383"	216.878606	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+K-2H"	36.948606
"950078"	224.928194	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-H+HCOOH"	44.998194
"369394"	404.858201	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+HCOOH-H"	44.998201
"358990"	418.873851	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+Hac-H"	59.013851
"1502113"	238.943851	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Hac-H"	59.013851
"968562"	246.910151	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-H+NaCOOH"	66.980151
"122938"	214.899402	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+2Cl"	69.938804
"560312"	304.864402	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+2Cl"	69.938804
"1033485"	124.934402	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2Cl"	69.938804
"1255252"	258.848885	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Br"	78.918885
"1315512"	260.904872	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Cl+HCOOH"	80.974872
"1330823"	282.886829	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Cl+NaCOOH"	102.956829
"921877"	292.915586	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M-H+CF3COOH"	112.985586
"1293118"	328.892264	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Cl+CF3COOH"	148.962264
"1371278"	144.917324	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H-2H2O"	-35.012676
"1387679"	162.9273	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H-H2O"	-17.0027
"291744"	360.867276	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+H"	1.007276
"680884"	540.797276	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+H"	1.007276
"1358328"	180.937276	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H"	1.007276
"138876"	180.937276	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+2H"	2.014552
"572970"	270.902276	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+2H"	2.014552
"1047238"	90.972276	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2H"	2.014552
"214045"	120.960609333333	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+3H"	3.021828
"653605"	180.937276	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+3H"	3.021828
"1172825"	60.9839426666667	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+3H"	3.021828
"435005"	377.893823	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+NH4"	18.033823
"797093"	557.823823	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+NH4"	18.033823
"1686863"	197.963823	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+NH4"	18.033823
"335144"	189.4505495	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+H+NH4"	19.041099
"730848"	279.4155495	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+H+NH4"	19.041099
"1491230"	99.4855495	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H+NH4"	19.041099
"406630"	382.849218	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+Na"	22.989218
"759973"	562.779218	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+Na"	22.989218
"1605885"	202.919218	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Na"	22.989218
"320294"	191.928247	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+H+Na"	23.996494
"709801"	281.893247	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+H+Na"	23.996494
"1469817"	101.963247	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H+Na"	23.996494
"1058690"	68.3112566666667	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2H+Na"	25.00377
"1266930"	212.963486	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+CH3OH+H"	33.033486
"390975"	398.823158	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+K"	38.963158
"750877"	578.753158	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+K"	38.963158
"1554391"	218.893158	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+K"	38.963158
"312657"	199.915217	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+H+K"	39.970434
"701431"	289.880217	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+H+K"	39.970434
"1456346"	109.950217	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H+K"	39.970434
"248228"	401.893826	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+ACN+H"	42.033826
"1219846"	221.963826	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+ACN+H"	42.033826
"1199355"	111.485551	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+ACN+2H"	43.041102
"196597"	404.83116	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+2Na-H"	44.97116
"637253"	584.76116	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+2Na-H"	44.97116
"1134929"	224.90116	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2Na-H"	44.97116
"176031"	202.919218	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+2Na"	45.978436
"617050"	292.884218	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+2Na"	45.978436
"1121648"	112.954218	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2Na"	45.978436
"1404078"	75.6385706666667	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H+2Na"	46.985712
"1435108"	226.942746	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H+HCOOH"	47.012746
"229178"	207.95224	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+3H2O+2H"	56.04448
"1510678"	240.99479	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+IsoProp+H"	61.06479
"414737"	210.906188	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+Na+K"	61.952376
"780110"	300.871188	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+Na+K"	61.952376
"1677171"	120.941188	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Na+K"	61.952376
"262962"	423.875768	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+ACN+Na"	64.015768
"1236763"	243.945768	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+ACN+Na"	64.015768
"1721273"	243.969293	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+NH4+HCOOH"	64.039293
"1186631"	82.9658846666667	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+3Na"	68.967654
"1657624"	248.924688	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Na+HCOOH"	68.994688
"171658"	436.77904	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+2K-H"	76.91904
"610608"	616.70904	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+2K-H"	76.91904
"1099255"	256.84904	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2K-H"	76.91904
"150842"	218.893158	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"2M+2K"	77.926316
"591495"	308.858158	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"3M+2K"	77.926316
"1074914"	128.928158	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2K"	77.926316
"1108123"	258.863592	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2K+H"	78.933592
"1345602"	258.951207	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+DMSO+H"	79.021207
"1013038"	262.990376	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2ACN+H"	83.060376
"1533352"	263.984008	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+IsoProp+Na+H"	84.054008
"996520"	131.998826	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+2ACN+2H"	84.067652
"1593210"	264.898628	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+K+HCOOH"	84.968628
"1416686"	294.930138	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+H+CF3COOH"	115.000138
"1150255"	152.512101	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+3ACN+2H"	125.094202
"1698713"	311.956685	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+NH4+CF3COOH"	132.026685
"1643117"	316.91208	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+Na+CF3COOH"	136.98208
"1580954"	332.88602	"C06594"	"124-Trichlorobenzene;Trichlorobenzene A"	"C6H3Cl3"	"179.93"	"M+K+CF3COOH"	152.95602
"801845"	251.8834	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M"	0
"983762"	232.86501	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-H2O-H"	-19.01839
"73097"	166.914990666667	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M-3H"	-3.021828
"511564"	250.876124	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M-3H"	-3.021828
"892646"	82.9538573333333	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-3H"	-3.021828
"13407"	250.876124	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M-2H"	-2.014552
"444221"	376.817824	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M-2H"	-2.014552
"823115"	124.934424	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-2H"	-2.014552
"87481"	502.759524	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M-H"	-1.007276
"521937"	754.642924	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M-H"	-1.007276
"897919"	250.876124	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-H"	-1.007276
"50105"	519.786071	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M-2H+NH4"	16.019271
"489663"	771.669471	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M-2H+NH4"	16.019271
"868203"	267.902671	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-2H+NH4"	16.019271
"35737"	524.741466	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M-2H+Na"	20.974666
"475663"	776.624866	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M-2H+Na"	20.974666
"853101"	272.858066	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-2H+Na"	20.974666
"1623728"	272.858066	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Na-2H"	20.974666
"106818"	268.864463	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M-H+Cl"	33.962126
"549785"	394.806163	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M-H+Cl"	33.962126
"942450"	142.922763	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-H+Cl"	33.962126
"279909"	538.736202	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+Cl"	34.969402
"671602"	790.619602	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+Cl"	34.969402
"1285099"	286.852802	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Cl"	34.969402
"19270"	540.715406	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M-2H+K"	36.948606
"463205"	792.598806	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M-2H+K"	36.948606
"836632"	288.832006	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-2H+K"	36.948606
"1560119"	288.832006	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+K-2H"	36.948606
"946908"	296.881594	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-H+HCOOH"	44.998194
"376064"	548.765001	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+HCOOH-H"	44.998201
"359465"	562.780651	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+Hac-H"	59.013851
"1505500"	310.897251	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Hac-H"	59.013851
"970855"	318.863551	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-H+NaCOOH"	66.980151
"121952"	286.852802	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+2Cl"	69.938804
"565039"	412.794502	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+2Cl"	69.938804
"1035661"	160.911102	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2Cl"	69.938804
"1254269"	330.802285	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Br"	78.918885
"1319834"	332.858272	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Cl+HCOOH"	80.974872
"1334213"	354.840229	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Cl+NaCOOH"	102.956829
"926362"	364.868986	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M-H+CF3COOH"	112.985586
"1296508"	400.845664	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Cl+CF3COOH"	148.962264
"1373575"	216.870724	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H-2H2O"	-35.012676
"1387789"	234.8807	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H-H2O"	-17.0027
"292947"	504.774076	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+H"	1.007276
"680266"	756.657476	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+H"	1.007276
"1359531"	252.890676	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H"	1.007276
"137529"	252.890676	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+2H"	2.014552
"573081"	378.832376	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+2H"	2.014552
"1048443"	126.948976	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2H"	2.014552
"215980"	168.929542666667	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+3H"	3.021828
"654809"	252.890676	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+3H"	3.021828
"1174032"	84.9684093333333	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+3H"	3.021828
"436210"	521.800623	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+NH4"	18.033823
"797202"	773.684023	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+NH4"	18.033823
"1689163"	269.917223	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+NH4"	18.033823
"338534"	261.4039495	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+H+NH4"	19.041099
"732052"	387.3456495	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+H+NH4"	19.041099
"1485872"	135.4622495	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H+NH4"	19.041099
"407712"	526.756018	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+Na"	22.989218
"762270"	778.639418	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+Na"	22.989218
"1609272"	274.872618	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Na"	22.989218
"322591"	263.881647	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+H+Na"	23.996494
"713918"	389.823347	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+H+Na"	23.996494
"1467741"	137.939947	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H+Na"	23.996494
"1057707"	92.2957233333333	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2H+Na"	25.00377
"1262665"	284.916886	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+CH3OH+H"	33.033486
"388896"	542.729958	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+K"	38.963158
"753051"	794.613358	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+K"	38.963158
"1553038"	290.846558	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+K"	38.963158
"310215"	271.868617	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+H+K"	39.970434
"703726"	397.810317	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+H+K"	39.970434
"1459369"	145.926917	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H+K"	39.970434
"248338"	545.800626	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+ACN+H"	42.033826
"1221050"	293.917226	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+ACN+H"	42.033826
"1203839"	147.462251	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+ACN+2H"	43.041102
"196707"	548.73796	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+2Na-H"	44.97116
"640643"	800.62136	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+2Na-H"	44.97116
"1133945"	296.85456	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2Na-H"	44.97116
"176869"	274.872618	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+2Na"	45.978436
"617887"	400.814318	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+2Na"	45.978436
"1125038"	148.930918	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2Na"	45.978436
"1408563"	99.6230373333333	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H+2Na"	46.985712
"1435218"	298.896146	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H+HCOOH"	47.012746
"228195"	279.90564	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+3H2O+2H"	56.04448
"1514067"	312.94819	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+IsoProp+H"	61.06479
"413753"	282.859588	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+Na+K"	61.952376
"775848"	408.801288	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+Na+K"	61.952376
"1675459"	156.917888	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Na+K"	61.952376
"261614"	567.782568	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+ACN+Na"	64.015768
"1235778"	315.899168	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+ACN+Na"	64.015768
"1722478"	315.922693	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+NH4+HCOOH"	64.039293
"1186741"	106.950351333333	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+3Na"	68.967654
"1661011"	320.878088	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Na+HCOOH"	68.994688
"167876"	580.68584	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+2K-H"	76.91904
"611206"	832.56924	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+2K-H"	76.91904
"1097906"	328.80244	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2K-H"	76.91904
"148765"	290.846558	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"2M+2K"	77.926316
"591605"	416.788258	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"3M+2K"	77.926316
"1073928"	164.904858	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2K"	77.926316
"1106045"	330.816992	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2K+H"	78.933592
"1345711"	330.904607	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+DMSO+H"	79.021207
"1012055"	334.943776	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2ACN+H"	83.060376
"1530181"	335.937408	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+IsoProp+Na+H"	84.054008
"995536"	167.975526	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+2ACN+2H"	84.067652
"1592227"	336.852028	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+K+HCOOH"	84.968628
"1416065"	366.883538	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+H+CF3COOH"	115.000138
"1147447"	188.488801	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+3ACN+2H"	125.094202
"1698824"	383.910085	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+NH4+CF3COOH"	132.026685
"1639947"	388.86548	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+Na+CF3COOH"	136.98208
"1581064"	404.83942	"C06596"	"gamma-Pentachlorocyclohexene"	"C6H5Cl5"	"251.8834"	"M+K+CF3COOH"	152.95602
"811432"	215.9067	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M"	0
"982779"	196.88831	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-H2O-H"	-19.01839
"74301"	142.930524	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M-3H"	-3.021828
"513861"	214.899424	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M-3H"	-3.021828
"891663"	70.961624	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-3H"	-3.021828
"11331"	214.899424	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M-2H"	-2.014552
"449798"	322.852774	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M-2H"	-2.014552
"825412"	106.946074	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-2H"	-2.014552
"87590"	430.806124	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M-H"	-1.007276
"523141"	646.712824	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M-H"	-1.007276
"898759"	214.899424	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-H"	-1.007276
"49852"	447.832671	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M-2H+NH4"	16.019271
"487951"	663.739371	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M-2H+NH4"	16.019271
"868677"	231.925971	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-2H+NH4"	16.019271
"35847"	452.788066	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M-2H+Na"	20.974666
"475772"	668.694766	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M-2H+Na"	20.974666
"853211"	236.881366	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-2H+Na"	20.974666
"1623109"	236.881366	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Na-2H"	20.974666
"104742"	232.887763	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M-H+Cl"	33.962126
"548678"	340.841113	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M-H+Cl"	33.962126
"942194"	124.934413	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-H+Cl"	33.962126
"276375"	466.782802	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+Cl"	34.969402
"670983"	682.689502	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+Cl"	34.969402
"1285573"	250.876102	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Cl"	34.969402
"20473"	468.762006	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M-2H+K"	36.948606
"463315"	684.668706	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M-2H+K"	36.948606
"837835"	252.855306	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-2H+K"	36.948606
"1561322"	252.855306	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+K-2H"	36.948606
"948111"	260.904894	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-H+HCOOH"	44.998194
"369615"	476.811601	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+HCOOH-H"	44.998201
"353500"	490.827251	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+Hac-H"	59.013851
"1500145"	274.920551	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Hac-H"	59.013851
"965500"	282.886851	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-H+NaCOOH"	66.980151
"116596"	250.876102	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+2Cl"	69.938804
"563690"	358.829452	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+2Cl"	69.938804
"1034797"	142.922752	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2Cl"	69.938804
"1255471"	294.825585	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Br"	78.918885
"1317921"	296.881572	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Cl+HCOOH"	80.974872
"1332500"	318.863529	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Cl+NaCOOH"	102.956829
"924649"	328.892286	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M-H+CF3COOH"	112.985586
"1296618"	364.868964	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Cl+CF3COOH"	148.962264
"1370405"	180.894024	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H-2H2O"	-35.012676
"1385713"	198.904	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H-H2O"	-17.0027
"289777"	432.820676	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+H"	1.007276
"677824"	648.727376	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+H"	1.007276
"1356361"	216.913976	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H"	1.007276
"138004"	216.913976	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+2H"	2.014552
"573192"	324.867326	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+2H"	2.014552
"1045274"	108.960626	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2H"	2.014552
"212082"	144.945076	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+3H"	3.021828
"653826"	216.913976	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+3H"	3.021828
"1173049"	72.976176	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+3H"	3.021828
"433041"	449.847223	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+NH4"	18.033823
"795126"	665.753923	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+NH4"	18.033823
"1689269"	233.940523	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+NH4"	18.033823
"338643"	225.4272495	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+H+NH4"	19.041099
"732157"	333.3805995	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+H+NH4"	19.041099
"1484883"	117.4738995	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H+NH4"	19.041099
"405758"	454.802618	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+Na"	22.989218
"763474"	670.709318	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+Na"	22.989218
"1610478"	238.895918	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Na"	22.989218
"323795"	227.904947	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+H+Na"	23.996494
"711843"	335.858297	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+H+Na"	23.996494
"1468944"	119.951597	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H+Na"	23.996494
"1058910"	80.30349	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2H+Na"	25.00377
"1263868"	248.940186	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+CH3OH+H"	33.033486
"389006"	470.776558	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+K"	38.963158
"752918"	686.683258	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+K"	38.963158
"1553148"	254.869858	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+K"	38.963158
"311418"	235.891917	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+H+K"	39.970434
"702743"	343.845267	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+H+K"	39.970434
"1458750"	127.938567	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H+K"	39.970434
"249541"	473.847226	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+ACN+H"	42.033826
"1220065"	257.940526	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+ACN+H"	42.033826
"1200669"	129.473901	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+ACN+2H"	43.041102
"193540"	476.78456	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+2Na-H"	44.97116
"632008"	692.69126	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+2Na-H"	44.97116
"1135514"	260.87786	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2Na-H"	44.97116
"176980"	238.895918	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+2Na"	45.978436
"618363"	346.849268	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+2Na"	45.978436
"1119678"	130.942568	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2Na"	45.978436
"1402112"	87.630804	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H+2Na"	46.985712
"1435328"	262.919446	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H+HCOOH"	47.012746
"228305"	243.92894	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+3H2O+2H"	56.04448
"1513084"	276.97149	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+IsoProp+H"	61.06479
"412770"	246.882888	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+Na+K"	61.952376
"779239"	354.836238	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+Na+K"	61.952376
"1672288"	138.929538	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Na+K"	61.952376
"259901"	495.829168	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+ACN+Na"	64.015768
"1234797"	279.922468	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+ACN+Na"	64.015768
"1722590"	279.945993	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+NH4+HCOOH"	64.039293
"1186849"	94.958118	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+3Na"	68.967654
"1660027"	284.901388	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Na+HCOOH"	68.994688
"167986"	508.73244	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+2K-H"	76.91904
"608641"	724.63914	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+2K-H"	76.91904
"1097527"	292.82574	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2K-H"	76.91904
"146690"	254.869858	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"2M+2K"	77.926316
"588434"	362.823208	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"3M+2K"	77.926316
"1072949"	146.916508	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2K"	77.926316
"1105062"	294.840292	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2K+H"	78.933592
"1340354"	294.927907	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+DMSO+H"	79.021207
"1013257"	298.967076	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2ACN+H"	83.060376
"1531383"	299.960708	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+IsoProp+Na+H"	84.054008
"995645"	149.987176	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+2ACN+2H"	84.067652
"1589057"	300.875328	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+K+HCOOH"	84.968628
"1416541"	330.906838	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+H+CF3COOH"	115.000138
"1149016"	170.500451	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+3ACN+2H"	125.094202
"1702215"	347.933385	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+NH4+CF3COOH"	132.026685
"1640057"	352.88878	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+Na+CF3COOH"	136.98208
"1581174"	368.86272	"C06597"	"1346-Tetrachloro-14-cyclohexadiene"	"C6H4Cl4"	"215.9067"	"M+K+CF3COOH"	152.95602
"815432"	197.9406	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M"	0
"986170"	178.92221	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-H2O-H"	-19.01839
"76600"	130.953124	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M-3H"	-3.021828
"512879"	196.933324	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M-3H"	-3.021828
"889587"	64.972924	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-3H"	-3.021828
"11441"	196.933324	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M-2H"	-2.014552
"449909"	295.903624	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M-2H"	-2.014552
"826616"	97.963024	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-2H"	-2.014552
"86607"	394.873924	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M-H"	-1.007276
"521065"	592.814524	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M-H"	-1.007276
"897776"	196.933324	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-H"	-1.007276
"49962"	411.900471	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M-2H+NH4"	16.019271
"488426"	609.841071	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M-2H+NH4"	16.019271
"865504"	213.959871	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-2H+NH4"	16.019271
"34865"	416.855866	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M-2H+Na"	20.974666
"472602"	614.796466	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M-2H+Na"	20.974666
"850404"	218.915266	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-2H+Na"	20.974666
"1620668"	218.915266	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Na-2H"	20.974666
"103758"	214.921663	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M-H+Cl"	33.962126
"549942"	313.891963	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M-H+Cl"	33.962126
"942183"	115.951363	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-H+Cl"	33.962126
"280495"	430.850602	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+Cl"	34.969402
"675227"	628.791202	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+Cl"	34.969402
"1282404"	232.910002	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Cl"	34.969402
"16816"	432.829806	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M-2H+K"	36.948606
"466705"	630.770406	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M-2H+K"	36.948606
"837946"	234.889206	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-2H+K"	36.948606
"1559246"	234.889206	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+K-2H"	36.948606
"949313"	242.938794	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-H+HCOOH"	44.998194
"369724"	440.879401	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+HCOOH-H"	44.998201
"353610"	454.895051	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+Hac-H"	59.013851
"1501348"	256.954451	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Hac-H"	59.013851
"969985"	264.920751	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-H+NaCOOH"	66.980151
"118891"	232.910002	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+2Cl"	69.938804
"563921"	331.880302	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+2Cl"	69.938804
"1034907"	133.939702	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2Cl"	69.938804
"1254488"	276.859485	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Br"	78.918885
"1316573"	278.915472	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Cl+HCOOH"	80.974872
"1332245"	300.897429	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Cl+NaCOOH"	102.956829
"918928"	310.926186	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M-H+CF3COOH"	112.985586
"1301834"	346.902864	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Cl+CF3COOH"	148.962264
"1381816"	162.927924	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H-2H2O"	-35.012676
"1384731"	180.9379	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H-H2O"	-17.0027
"289887"	396.888476	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+H"	1.007276
"677570"	594.829076	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+H"	1.007276
"1356471"	198.947876	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H"	1.007276
"139574"	198.947876	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+2H"	2.014552
"572208"	297.918176	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+2H"	2.014552
"1046476"	99.977576	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2H"	2.014552
"216562"	132.967676	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+3H"	3.021828
"651749"	198.947876	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+3H"	3.021828
"1175709"	66.987476	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+3H"	3.021828
"436428"	413.915023	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+NH4"	18.033823
"796329"	611.855623	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+NH4"	18.033823
"1685006"	215.974423	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+NH4"	18.033823
"338752"	207.4611495	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+H+NH4"	19.041099
"725704"	306.4314495	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+H+NH4"	19.041099
"1481713"	108.4908495	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H+NH4"	19.041099
"405868"	418.870418	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+Na"	22.989218
"763583"	616.811018	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+Na"	22.989218
"1612776"	220.929818	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Na"	22.989218
"320627"	209.938847	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+H+Na"	23.996494
"714142"	308.909147	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+H+Na"	23.996494
"1469054"	110.968547	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H+Na"	23.996494
"1065581"	74.31479	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2H+Na"	25.00377
"1268353"	230.974086	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+CH3OH+H"	33.033486
"390209"	434.844358	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+K"	38.963158
"753028"	632.784958	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+K"	38.963158
"1552165"	236.903758	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+K"	38.963158
"311528"	217.925817	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+H+K"	39.970434
"704676"	316.896117	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+H+K"	39.970434
"1456673"	118.955517	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H+K"	39.970434
"248923"	437.915026	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+ACN+H"	42.033826
"1217988"	239.974426	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+ACN+H"	42.033826
"1201872"	120.490851	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+ACN+2H"	43.041102
"191826"	440.85236	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+2Na-H"	44.97116
"631021"	638.79296	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+2Na-H"	44.97116
"1135257"	242.91176	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2Na-H"	44.97116
"177819"	220.929818	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+2Na"	45.978436
"617012"	319.900118	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+2Na"	45.978436
"1120515"	121.959518	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2Na"	45.978436
"1403675"	81.642104	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H+2Na"	46.985712
"1434697"	244.953346	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H+HCOOH"	47.012746
"221848"	225.96284	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+3H2O+2H"	56.04448
"1514281"	259.00539	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+IsoProp+H"	61.06479
"413244"	228.916788	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+Na+K"	61.952376
"773878"	327.887088	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+Na+K"	61.952376
"1671305"	129.946488	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Na+K"	61.952376
"259647"	459.896968	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+ACN+Na"	64.015768
"1233085"	261.956368	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+ACN+Na"	64.015768
"1722698"	261.979893	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+NH4+HCOOH"	64.039293
"1184773"	88.969418	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+3Na"	68.967654
"1656853"	266.935288	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Na+HCOOH"	68.994688
"164816"	472.80024	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+2K-H"	76.91904
"609847"	670.74084	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+2K-H"	76.91904
"1099220"	274.85964	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2K-H"	76.91904
"146800"	236.903758	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"2M+2K"	77.926316
"587451"	335.874058	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"3M+2K"	77.926316
"1071965"	137.933458	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2K"	77.926316
"1105172"	276.874192	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2K+H"	78.933592
"1341558"	276.961807	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+DMSO+H"	79.021207
"1012274"	281.000976	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2ACN+H"	83.060376
"1529308"	281.994608	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+IsoProp+Na+H"	84.054008
"995756"	141.004126	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+2ACN+2H"	84.067652
"1589533"	282.909228	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+K+HCOOH"	84.968628
"1419201"	312.940738	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+H+CF3COOH"	115.000138
"1148519"	161.517401	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+3ACN+2H"	125.094202
"1702325"	329.967285	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+NH4+CF3COOH"	132.026685
"1643447"	334.92268	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+Na+CF3COOH"	136.98208
"1581284"	350.89662	"C06598"	"245-Trichloro-25-cyclohexadiene-1-ol;1-Hydroxyl-245-trichloro-25-cyclohexadiene"	"C6H5Cl3O"	"197.9406"	"M+K+CF3COOH"	152.95602
"814206"	179.9745	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M"	0
"986280"	160.95611	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-H2O-H"	-19.01839
"74522"	118.975724	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M-3H"	-3.021828
"512989"	178.967224	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M-3H"	-3.021828
"890791"	58.984224	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-3H"	-3.021828
"8271"	178.967224	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M-2H"	-2.014552
"452207"	268.954474	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M-2H"	-2.014552
"827821"	88.979974	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-2H"	-2.014552
"86718"	358.941724	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M-H"	-1.007276
"525186"	538.916224	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M-H"	-1.007276
"897523"	178.967224	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-H"	-1.007276
"50435"	375.968271	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M-2H+NH4"	16.019271
"489265"	555.942771	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M-2H+NH4"	16.019271
"866706"	195.993771	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-2H+NH4"	16.019271
"36069"	380.923666	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M-2H+Na"	20.974666
"473804"	560.898166	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M-2H+Na"	20.974666
"851607"	200.949166	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-2H+Na"	20.974666
"1621142"	200.949166	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Na-2H"	20.974666
"103868"	196.955563	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M-H+Cl"	33.962126
"549628"	286.942813	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M-H+Cl"	33.962126
"940592"	106.968313	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-H+Cl"	33.962126
"280969"	394.918402	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+Cl"	34.969402
"673392"	574.892902	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+Cl"	34.969402
"1281421"	214.943902	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Cl"	34.969402
"16683"	396.897606	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M-2H+K"	36.948606
"465722"	576.872106	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M-2H+K"	36.948606
"840243"	216.923106	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-2H+K"	36.948606
"1561543"	216.923106	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+K-2H"	36.948606
"948330"	224.972694	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-H+HCOOH"	44.998194
"368744"	404.947201	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+HCOOH-H"	44.998201
"354815"	418.962851	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+Hac-H"	59.013851
"1501459"	238.988351	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Hac-H"	59.013851
"965720"	246.954651	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-H+NaCOOH"	66.980151
"117908"	214.943902	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+2Cl"	69.938804
"558560"	304.931152	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+2Cl"	69.938804
"1035383"	124.956652	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2Cl"	69.938804
"1251315"	258.893385	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Br"	78.918885
"1317043"	260.949372	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Cl+HCOOH"	80.974872
"1329804"	282.931329	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Cl+NaCOOH"	102.956829
"921954"	292.960086	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M-H+CF3COOH"	112.985586
"1296839"	328.936764	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Cl+CF3COOH"	148.962264
"1372813"	144.961824	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H-2H2O"	-35.012676
"1383177"	162.9718	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H-H2O"	-17.0027
"289997"	360.956276	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+H"	1.007276
"680595"	540.930776	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+H"	1.007276
"1356581"	180.981776	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H"	1.007276
"133845"	180.981776	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+2H"	2.014552
"575599"	270.969026	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+2H"	2.014552
"1046586"	90.994526	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2H"	2.014552
"213392"	120.990276	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+3H"	3.021828
"650766"	180.981776	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+3H"	3.021828
"1177275"	60.998776	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+3H"	3.021828
"436538"	377.982823	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+NH4"	18.033823
"794252"	557.957323	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+NH4"	18.033823
"1689489"	198.008323	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+NH4"	18.033823
"338862"	189.4950495	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+H+NH4"	19.041099
"728000"	279.4822995	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+H+NH4"	19.041099
"1484009"	99.5077995	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H+NH4"	19.041099
"405979"	382.938218	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+Na"	22.989218
"764786"	562.912718	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+Na"	22.989218
"1613980"	202.963718	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Na"	22.989218
"321830"	191.972747	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+H+Na"	23.996494
"715345"	281.959997	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+H+Na"	23.996494
"1469165"	101.985497	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H+Na"	23.996494
"1065691"	68.32609	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2H+Na"	25.00377
"1269556"	213.007986	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+CH3OH+H"	33.033486
"391412"	398.912158	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+K"	38.963158
"753137"	578.886658	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+K"	38.963158
"1553733"	218.937658	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+K"	38.963158
"310910"	199.959717	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+H+K"	39.970434
"704787"	289.946967	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+H+K"	39.970434
"1459944"	109.972467	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H+K"	39.970434
"249033"	401.982826	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+ACN+H"	42.033826
"1220286"	222.008326	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+ACN+H"	42.033826
"1203076"	111.507801	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+ACN+2H"	43.041102
"192302"	404.92016	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+2Na-H"	44.97116
"631861"	584.89466	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+2Na-H"	44.97116
"1136095"	224.94566	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2Na-H"	44.97116
"181209"	202.963718	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+2Na"	45.978436
"617122"	292.950968	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+2Na"	45.978436
"1119532"	112.976468	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2Na"	45.978436
"1403788"	75.653404	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H+2Na"	46.985712
"1434444"	226.987246	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H+HCOOH"	47.012746
"221959"	207.99674	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+3H2O+2H"	56.04448
"1512207"	241.03929	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+IsoProp+H"	61.06479
"411893"	210.950688	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+Na+K"	61.952376
"771796"	300.937938	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+Na+K"	61.952376
"1668490"	120.963438	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Na+K"	61.952376
"255012"	423.964768	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+ACN+Na"	64.015768
"1230640"	243.990268	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+ACN+Na"	64.015768
"1718433"	244.013793	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+NH4+HCOOH"	64.039293
"1183788"	82.980718	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+3Na"	68.967654
"1656963"	248.969188	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Na+HCOOH"	68.994688
"168206"	436.86804	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+2K-H"	76.91904
"611414"	616.84254	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+2K-H"	76.91904
"1098965"	256.89354	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2K-H"	76.91904
"152378"	218.937658	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"2M+2K"	77.926316
"587562"	308.924908	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"3M+2K"	77.926316
"1070984"	128.950408	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2K"	77.926316
"1104189"	258.908092	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2K+H"	78.933592
"1341669"	258.995707	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+DMSO+H"	79.021207
"1012386"	263.034876	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2ACN+H"	83.060376
"1529420"	264.028508	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+IsoProp+Na+H"	84.054008
"996958"	132.021076	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+2ACN+2H"	84.067652
"1589279"	264.943128	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+K+HCOOH"	84.968628
"1416031"	294.974638	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+H+CF3COOH"	115.000138
"1152882"	152.534351	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+3ACN+2H"	125.094202
"1702435"	312.001185	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+NH4+CF3COOH"	132.026685
"1643557"	316.95658	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+Na+CF3COOH"	136.98208
"1581394"	332.93052	"C06599"	"25-Dichloro-25-cyclohexadiene-14-diol;14-Dihydroxyl-25-dichloro-25-cyclohexadiene"	"C6H6Cl2O2"	"179.9745"	"M+K+CF3COOH"	152.95602
"814315"	177.9588	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M"	0
"986390"	158.94041	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-H2O-H"	-19.01839
"75727"	117.631924	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M-3H"	-3.021828
"515286"	176.951524	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M-3H"	-3.021828
"886527"	58.312324	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-3H"	-3.021828
"8381"	176.951524	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M-2H"	-2.014552
"453899"	265.930924	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M-2H"	-2.014552
"827931"	87.972124	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-2H"	-2.014552
"86828"	354.910324	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M-H"	-1.007276
"524203"	532.869124	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M-H"	-1.007276
"897634"	176.951524	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-H"	-1.007276
"49333"	371.936871	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+NH4"	16.019271
"491197"	549.895671	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+NH4"	16.019271
"867184"	193.978071	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-2H+NH4"	16.019271
"38365"	376.892266	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+Na"	20.974666
"475739"	554.851066	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+Na"	20.974666
"851714"	198.933466	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-2H+Na"	20.974666
"1624168"	198.933466	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Na-2H"	20.974666
"100698"	194.939863	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M-H+Cl"	33.962126
"547913"	283.919263	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M-H+Cl"	33.962126
"940581"	105.960463	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-H+Cl"	33.962126
"277800"	390.887002	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+Cl"	34.969402
"673503"	568.845802	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+Cl"	34.969402
"1281531"	212.928202	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Cl"	34.969402
"17644"	392.866206	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+K"	36.948606
"460364"	570.825006	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+K"	36.948606
"841445"	214.907406	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-2H+K"	36.948606
"1557642"	214.907406	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+K-2H"	36.948606
"947347"	222.956994	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-H+HCOOH"	44.998194
"373955"	400.915801	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+HCOOH-H"	44.998201
"358933"	414.931451	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+Hac-H"	59.013851
"1505941"	236.972651	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Hac-H"	59.013851
"969109"	244.938951	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-H+NaCOOH"	66.980151
"121297"	212.928202	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+2Cl"	69.938804
"559763"	301.907602	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+2Cl"	69.938804
"1035855"	123.948802	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2Cl"	69.938804
"1254704"	256.877685	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Br"	78.918885
"1318246"	258.933672	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+HCOOH"	80.974872
"1331371"	280.915629	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+NaCOOH"	102.956829
"921335"	290.944386	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M-H+CF3COOH"	112.985586
"1296949"	326.921064	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+CF3COOH"	148.962264
"1372923"	142.946124	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H-2H2O"	-35.012676
"1382862"	160.9561	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H-H2O"	-17.0027
"291200"	356.924876	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+H"	1.007276
"681434"	534.883676	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+H"	1.007276
"1357784"	178.966076	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H"	1.007276
"135048"	178.966076	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+2H"	2.014552
"571335"	267.945476	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+2H"	2.014552
"1046696"	89.986676	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2H"	2.014552
"213502"	119.646476	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+3H"	3.021828
"648689"	178.966076	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+3H"	3.021828
"1169002"	60.326876	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+3H"	3.021828
"432274"	373.951423	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+NH4"	18.033823
"794361"	551.910223	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+NH4"	18.033823
"1690692"	195.992623	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+NH4"	18.033823
"338972"	187.4793495	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+H+NH4"	19.041099
"729203"	276.4587495	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+H+NH4"	19.041099
"1485212"	98.4999495	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H+NH4"	19.041099
"407426"	378.906818	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+Na"	22.989218
"763802"	556.865618	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+Na"	22.989218
"1610807"	200.948018	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Na"	22.989218
"321940"	189.957047	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+H+Na"	23.996494
"713266"	278.936447	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+H+Na"	23.996494
"1470369"	100.977647	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H+Na"	23.996494
"1063613"	67.65419	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2H+Na"	25.00377
"1268572"	210.992286	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+CH3OH+H"	33.033486
"391158"	394.880758	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+K"	38.963158
"752883"	572.839558	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+K"	38.963158
"1552750"	216.921958	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+K"	38.963158
"311019"	197.944017	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+H+K"	39.970434
"705625"	286.923417	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+H+K"	39.970434
"1456893"	108.964617	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H+K"	39.970434
"246225"	397.951426	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+H"	42.033826
"1218210"	219.992626	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+H"	42.033826
"1200999"	110.499951	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+2H"	43.041102
"191682"	400.88876	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+2Na-H"	44.97116
"631241"	578.84756	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+2Na-H"	44.97116
"1132196"	222.92996	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2Na-H"	44.97116
"178039"	200.948018	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+2Na"	45.978436
"616868"	289.927418	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+2Na"	45.978436
"1119277"	111.968618	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2Na"	45.978436
"1402441"	74.981504	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H+2Na"	46.985712
"1434187"	224.971546	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H+HCOOH"	47.012746
"221700"	205.98104	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+3H2O+2H"	56.04448
"1511946"	239.02359	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+H"	61.06479
"413093"	208.934988	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+Na+K"	61.952376
"774452"	297.914388	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+Na+K"	61.952376
"1669325"	119.955588	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Na+K"	61.952376
"256211"	419.933368	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+Na"	64.015768
"1228927"	241.974568	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+Na"	64.015768
"1718543"	241.998093	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+NH4+HCOOH"	64.039293
"1183897"	82.308818	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+3Na"	68.967654
"1657073"	246.953488	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Na+HCOOH"	68.994688
"167223"	432.83664	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+2K-H"	76.91904
"611646"	610.79544	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+2K-H"	76.91904
"1097493"	254.87784	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2K-H"	76.91904
"151395"	216.921958	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"2M+2K"	77.926316
"587672"	305.901358	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"3M+2K"	77.926316
"1073279"	127.942558	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2K"	77.926316
"1103571"	256.892392	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2K+H"	78.933592
"1341779"	256.980007	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+DMSO+H"	79.021207
"1011403"	261.019176	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+H"	83.060376
"1530623"	262.012808	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+Na+H"	84.054008
"997068"	131.013226	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+2H"	84.067652
"1590482"	262.927428	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+K+HCOOH"	84.968628
"1416141"	292.958938	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+H+CF3COOH"	115.000138
"1154085"	151.526501	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+3ACN+2H"	125.094202
"1701452"	309.985485	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+NH4+CF3COOH"	132.026685
"1643667"	314.94088	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+Na+CF3COOH"	136.98208
"1581504"	330.91482	"C06600"	"25-Dichlorohydroquinone;25-Dichloro-14-benzenediol"	"C6H4Cl2O2"	"177.9588"	"M+K+CF3COOH"	152.95602
"815151"	143.9978	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M"	0
"988324"	124.97941	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-H2O-H"	-19.01839
"78368"	94.9912573333333	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M-3H"	-3.021828
"518237"	142.990524	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M-3H"	-3.021828
"895022"	46.9919906666667	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-3H"	-3.021828
"8491"	142.990524	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M-2H"	-2.014552
"452426"	214.989424	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M-2H"	-2.014552
"829132"	70.991624	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-2H"	-2.014552
"85844"	286.988324	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M-H"	-1.007276
"523219"	430.986124	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M-H"	-1.007276
"903212"	142.990524	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-H"	-1.007276
"53212"	304.014871	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M-2H+NH4"	16.019271
"493865"	448.012671	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M-2H+NH4"	16.019271
"873855"	160.017071	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-2H+NH4"	16.019271
"38475"	308.970266	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M-2H+Na"	20.974666
"475849"	452.968066	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M-2H+Na"	20.974666
"852556"	164.972466	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-2H+Na"	20.974666
"1620024"	164.972466	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Na-2H"	20.974666
"97527"	160.978863	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M-H+Cl"	33.962126
"541461"	232.977763	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M-H+Cl"	33.962126
"938256"	88.979963	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-H+Cl"	33.962126
"277907"	322.965002	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+Cl"	34.969402
"674341"	466.962802	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+Cl"	34.969402
"1286743"	178.967202	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Cl"	34.969402
"19820"	324.944206	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M-2H+K"	36.948606
"461567"	468.942006	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M-2H+K"	36.948606
"838275"	180.946406	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-2H+K"	36.948606
"1557752"	180.946406	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+K-2H"	36.948606
"946363"	188.995994	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-H+HCOOH"	44.998194
"373336"	332.993801	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+HCOOH-H"	44.998201
"359405"	347.009451	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+Hac-H"	59.013851
"1506051"	203.011651	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Hac-H"	59.013851
"970312"	210.977951	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-H+NaCOOH"	66.980151
"121407"	178.967202	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+2Cl"	69.938804
"559873"	250.966102	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+2Cl"	69.938804
"1034872"	106.968302	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2Cl"	69.938804
"1254814"	222.916685	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Br"	78.918885
"1317263"	224.972672	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Cl+HCOOH"	80.974872
"1332210"	246.954629	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Cl+NaCOOH"	102.956829
"922539"	256.983386	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M-H+CF3COOH"	112.985586
"1297059"	292.960064	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Cl+CF3COOH"	148.962264
"1373033"	108.985124	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H-2H2O"	-35.012676
"1382750"	126.9951	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H-H2O"	-17.0027
"293497"	289.002876	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+H"	1.007276
"680815"	433.000676	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+H"	1.007276
"1356801"	145.005076	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H"	1.007276
"131876"	145.005076	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+2H"	2.014552
"570351"	217.003976	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+2H"	2.014552
"1040245"	73.006176	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2H"	2.014552
"208145"	97.0058093333333	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+3H"	3.021828
"654266"	145.005076	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+3H"	3.021828
"1170205"	49.0065426666667	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+3H"	3.021828
"430197"	306.029423	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+NH4"	18.033823
"791192"	450.027223	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+NH4"	18.033823
"1688615"	162.031623	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+NH4"	18.033823
"339082"	153.5183495	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+H+NH4"	19.041099
"727127"	225.5172495	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+H+NH4"	19.041099
"1483136"	81.5194495	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H+NH4"	19.041099
"406199"	310.984818	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+Na"	22.989218
"765009"	454.982618	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+Na"	22.989218
"1616021"	166.987018	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Na"	22.989218
"325330"	155.996047	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+H+Na"	23.996494
"717749"	227.994947	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+H+Na"	23.996494
"1473760"	83.997147	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H+Na"	23.996494
"1063723"	56.3338566666667	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2H+Na"	25.00377
"1268682"	177.031286	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+CH3OH+H"	33.033486
"390539"	326.958758	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+K"	38.963158
"750441"	470.956558	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+K"	38.963158
"1549215"	182.960958	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+K"	38.963158
"311493"	163.983017	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+H+K"	39.970434
"703913"	235.981917	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+H+K"	39.970434
"1457730"	91.984117	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H+K"	39.970434
"246698"	330.029426	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+ACN+H"	42.033826
"1222693"	186.031626	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+ACN+H"	42.033826
"1205483"	93.519451	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+ACN+2H"	43.041102
"191430"	332.96676	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+2Na-H"	44.97116
"631353"	476.96456	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+2Na-H"	44.97116
"1132792"	188.96896	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2Na-H"	44.97116
"180336"	166.987018	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+2Na"	45.978436
"616978"	238.985918	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+2Na"	45.978436
"1117930"	94.988118	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2Na"	45.978436
"1405831"	63.6611706666667	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H+2Na"	46.985712
"1433936"	191.010546	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H+HCOOH"	47.012746
"220961"	172.02004	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+3H2O+2H"	56.04448
"1510966"	205.06259	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+IsoProp+H"	61.06479
"411018"	174.973988	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+Na+K"	61.952376
"774926"	246.972888	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+Na+K"	61.952376
"1666521"	102.975088	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Na+K"	61.952376
"253407"	352.011368	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+ACN+Na"	64.015768
"1230860"	208.013568	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+ACN+Na"	64.015768
"1717560"	208.037093	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+NH4+HCOOH"	64.039293
"1182914"	70.9884846666667	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+3Na"	68.967654
"1652810"	212.992488	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Na+HCOOH"	68.994688
"167333"	364.91464	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+2K-H"	76.91904
"611270"	508.91244	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+2K-H"	76.91904
"1096874"	220.91684	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2K-H"	76.91904
"149317"	182.960958	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"2M+2K"	77.926316
"586689"	254.959858	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"3M+2K"	77.926316
"1072296"	110.962058	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2K"	77.926316
"1102587"	222.931392	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2K+H"	78.933592
"1339703"	223.019007	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+DMSO+H"	79.021207
"1010420"	227.058176	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2ACN+H"	83.060376
"1529640"	228.051808	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+IsoProp+Na+H"	84.054008
"994991"	114.032726	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+2ACN+2H"	84.067652
"1590592"	228.966428	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+K+HCOOH"	84.968628
"1417345"	258.997938	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+H+CF3COOH"	115.000138
"1154195"	134.546001	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+3ACN+2H"	125.094202
"1702655"	276.024485	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+NH4+CF3COOH"	132.026685
"1643777"	280.97988	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+Na+CF3COOH"	136.98208
"1581614"	296.95382	"C06601"	"Chlorohydroquinone;14-Dihydroxyl-2-chlorobenzene;Chloroquinol"	"C6H5ClO2"	"143.9978"	"M+K+CF3COOH"	152.95602
"811981"	161.9639	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M"	0
"984422"	142.94551	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-H2O-H"	-19.01839
"74851"	106.968657333333	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M-3H"	-3.021828
"513319"	160.956624	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M-3H"	-3.021828
"886746"	52.9806906666667	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-3H"	-3.021828
"7507"	160.956624	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M-2H"	-2.014552
"453998"	241.938574	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M-2H"	-2.014552
"831431"	79.974674	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-2H"	-2.014552
"91422"	322.920524	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M-H"	-1.007276
"526610"	484.884424	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M-H"	-1.007276
"903322"	160.956624	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-H"	-1.007276
"53322"	339.947071	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M-2H+NH4"	16.019271
"498351"	501.910971	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M-2H+NH4"	16.019271
"872873"	177.983171	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-2H+NH4"	16.019271
"38586"	344.902466	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M-2H+Na"	20.974666
"473407"	506.866366	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M-2H+Na"	20.974666
"850481"	182.938566	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-2H+Na"	20.974666
"1621104"	182.938566	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Na-2H"	20.974666
"96903"	178.944963	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M-H+Cl"	33.962126
"544852"	259.926913	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M-H+Cl"	33.962126
"931806"	97.963013	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-H+Cl"	33.962126
"272550"	358.897202	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+Cl"	34.969402
"664970"	520.861102	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+Cl"	34.969402
"1279561"	196.933302	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Cl"	34.969402
"17744"	360.876406	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M-2H+K"	36.948606
"457789"	522.840306	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M-2H+K"	36.948606
"833195"	198.912506	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-2H+K"	36.948606
"1560780"	198.912506	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+K-2H"	36.948606
"944288"	206.962094	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-H+HCOOH"	44.998194
"374543"	368.926001	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+HCOOH-H"	44.998201
"360609"	382.941651	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+Hac-H"	59.013851
"1506161"	220.977751	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Hac-H"	59.013851
"972977"	228.944051	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-H+NaCOOH"	66.980151
"122611"	196.933302	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+2Cl"	69.938804
"563631"	277.915252	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+2Cl"	69.938804
"1033159"	115.951352	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2Cl"	69.938804
"1249464"	240.882785	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Br"	78.918885
"1316283"	242.938772	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Cl+HCOOH"	80.974872
"1331590"	264.920729	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Cl+NaCOOH"	102.956829
"919368"	274.949486	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M-H+CF3COOH"	112.985586
"1289513"	310.926164	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Cl+CF3COOH"	148.962264
"1368766"	126.951224	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H-2H2O"	-35.012676
"1382977"	144.9612	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H-H2O"	-17.0027
"287046"	324.935076	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+H"	1.007276
"680561"	486.898976	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+H"	1.007276
"1356911"	162.971176	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H"	1.007276
"131986"	162.971176	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+2H"	2.014552
"567543"	243.953126	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+2H"	2.014552
"1043635"	81.989226	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2H"	2.014552
"206796"	108.983209333333	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+3H"	3.021828
"651095"	162.971176	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+3H"	3.021828
"1171407"	54.9952426666667	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+3H"	3.021828
"430305"	341.961623	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+NH4"	18.033823
"788019"	503.925523	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+NH4"	18.033823
"1684714"	179.997723	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+NH4"	18.033823
"333723"	171.4844495	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+H+NH4"	19.041099
"727239"	252.4663995	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+H+NH4"	19.041099
"1482154"	90.5024995	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H+NH4"	19.041099
"408533"	346.917018	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+Na"	22.989218
"768399"	508.880918	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+Na"	22.989218
"1617224"	184.953118	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Na"	22.989218
"327262"	173.962147	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+H+Na"	23.996494
"716765"	254.944097	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+H+Na"	23.996494
"1473870"	92.980197	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H+Na"	23.996494
"1066022"	62.3225566666667	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2H+Na"	25.00377
"1269888"	194.997386	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+CH3OH+H"	33.033486
"392677"	362.890958	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+K"	38.963158
"749824"	524.854858	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+K"	38.963158
"1551877"	200.927058	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+K"	38.963158
"312332"	181.949117	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+H+K"	39.970434
"701107"	262.931067	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+H+K"	39.970434
"1454926"	100.967167	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H+K"	39.970434
"247538"	365.961626	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+ACN+H"	42.033826
"1221709"	203.997726	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+ACN+H"	42.033826
"1205593"	102.502501	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+ACN+2H"	43.041102
"192269"	368.89896	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+2Na-H"	44.97116
"630005"	530.86286	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+2Na-H"	44.97116
"1133269"	206.93506	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2Na-H"	44.97116
"179353"	184.953118	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+2Na"	45.978436
"622192"	265.935068	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+2Na"	45.978436
"1119137"	103.971168	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2Na"	45.978436
"1402662"	69.6498706666667	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H+2Na"	46.985712
"1434777"	208.976646	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H+HCOOH"	47.012746
"221071"	189.98614	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+3H2O+2H"	56.04448
"1510713"	223.02869	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+H"	61.06479
"411128"	192.940088	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+Na+K"	61.952376
"777585"	273.922038	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+Na+K"	61.952376
"1666631"	111.958138	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Na+K"	61.952376
"254243"	387.943568	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+ACN+Na"	64.015768
"1229146"	225.979668	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+ACN+Na"	64.015768
"1717670"	226.003193	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+NH4+HCOOH"	64.039293
"1181566"	76.9771846666667	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+3Na"	68.967654
"1652190"	230.958588	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Na+HCOOH"	68.994688
"170723"	400.84684	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+2K-H"	76.91904
"611989"	562.81074	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+2K-H"	76.91904
"1095890"	238.88294	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2K-H"	76.91904
"146147"	200.927058	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"2M+2K"	77.926316
"585706"	281.909008	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"3M+2K"	77.926316
"1077874"	119.945108	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2K"	77.926316
"1103062"	240.897492	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2K+H"	78.933592
"1340906"	240.985107	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+DMSO+H"	79.021207
"1011622"	245.024276	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2ACN+H"	83.060376
"1529750"	246.017908	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+Na+H"	84.054008
"997289"	123.015776	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+2ACN+2H"	84.067652
"1590702"	246.932528	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+K+HCOOH"	84.968628
"1416723"	276.964038	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+H+CF3COOH"	115.000138
"1151026"	143.529051	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+3ACN+2H"	125.094202
"1699482"	293.990585	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+NH4+CF3COOH"	132.026685
"1643887"	298.94598	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+Na+CF3COOH"	136.98208
"1575163"	314.91992	"C06602"	"25-Dichlorophenol;25-DCP"	"C6H4Cl2O"	"161.9639"	"M+K+CF3COOH"	152.95602
"812091"	142.0266	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M"	0
"983439"	123.00821	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"72775"	93.677124	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"512336"	141.019324	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"885763"	46.334924	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"6524"	141.019324	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"452285"	212.032624	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"828262"	70.006024	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"89346"	283.045924	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"525627"	425.072524	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"903432"	141.019324	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"55619"	300.072471	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"497368"	442.099071	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"875170"	158.045871	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"41976"	305.027866	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"472789"	447.054466	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"850591"	163.001266	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1624497"	163.001266	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"97745"	159.007663	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"538398"	230.020963	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"927213"	87.994363	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"269378"	319.022602	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"667266"	461.049202	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1278578"	176.996002	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"22228"	321.001806	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"458507"	463.028406	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"832915"	178.975206	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1558703"	178.975206	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"945855"	187.024794	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"374653"	329.051401	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"357439"	343.067051	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1501897"	201.040451	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"970532"	209.006751	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"122721"	176.996002	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"561188"	248.009302	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1031082"	105.982702	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1253582"	220.945485	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1317484"	223.001472	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1333886"	244.983429	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"920572"	255.012186	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1293270"	290.988864	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1370337"	107.013924	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1390749"	125.0239	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"289345"	285.060476	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"683953"	427.087076	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1357021"	143.033876	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"129913"	143.033876	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"567288"	214.047176	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1042652"	72.020576	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"207271"	95.691676	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"646098"	143.033876	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1163496"	48.349476	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"426038"	302.087023	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"787759"	444.113623	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1682638"	160.060423	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"332010"	151.5471495	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"729542"	222.5604495	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1488831"	80.5338495	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"407885"	307.042418	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"767418"	449.069018	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1615513"	165.015818	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"329076"	154.024847	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"721987"	225.038147	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1474711"	83.011547	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1067592"	55.67679	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1269271"	175.060086	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"388210"	323.016358	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"754212"	465.042958	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1551985"	180.989758	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"310984"	162.011817	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"703042"	233.025117	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1457227"	90.998517	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"248744"	326.087026	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1218538"	184.060426	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1205703"	92.533851	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"192015"	329.02436	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"630117"	471.05096	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1142371"	186.99776	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"178372"	165.015818	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"622305"	236.029118	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1122531"	94.002518	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1406055"	63.004104	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1432703"	189.039346	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"221058"	170.04884	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1510092"	203.09139	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"411236"	173.002788	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"771138"	244.016088	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1668925"	101.989488	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"251846"	348.068968	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1228895"	206.042368	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1721063"	206.065893	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1182409"	70.331418	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1656313"	211.021288	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"170833"	360.97224	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"606020"	502.99884	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1097093"	218.94564	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"146255"	180.989758	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"585816"	252.003058	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1074703"	109.976458	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1111192"	220.960192	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1342111"	221.047807	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1013919"	225.086976	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1533137"	226.080608	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"1000679"	113.047126	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1588626"	226.995228	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1416835"	257.026738	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1148583"	133.560401	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1699226"	274.053285	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1643997"	279.00868	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1575273"	294.98262	"C06603"	"ciscis-4-Hydroxymuconic semialdehyde;4-Hydroxymuconic semialdehyde"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"812201"	291.033	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M"	0
"987196"	272.01461	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-H2O-H"	-19.01839
"73978"	193.014724	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M-3H"	-3.021828
"515728"	290.025724	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M-3H"	-3.021828
"888060"	96.003724	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-3H"	-3.021828
"9916"	290.025724	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M-2H"	-2.014552
"453490"	435.542224	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M-2H"	-2.014552
"829105"	144.509224	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-2H"	-2.014552
"90556"	581.058724	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M-H"	-1.007276
"530110"	872.091724	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M-H"	-1.007276
"903542"	290.025724	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-H"	-1.007276
"58645"	598.085271	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M-2H+NH4"	16.019271
"496385"	889.118271	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M-2H+NH4"	16.019271
"873093"	307.052271	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-2H+NH4"	16.019271
"35527"	603.040666	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M-2H+Na"	20.974666
"482740"	894.073666	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M-2H+Na"	20.974666
"860543"	312.007666	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-2H+Na"	20.974666
"1631169"	312.007666	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Na-2H"	20.974666
"104417"	308.014063	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M-H+Cl"	33.962126
"538509"	453.530563	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M-H+Cl"	33.962126
"928744"	162.497563	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-H+Cl"	33.962126
"269489"	617.035402	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+Cl"	34.969402
"663003"	908.068402	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+Cl"	34.969402
"1277594"	326.002402	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Cl"	34.969402
"21245"	619.014606	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M-2H+K"	36.948606
"459711"	910.047606	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M-2H+K"	36.948606
"833622"	327.981606	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-2H+K"	36.948606
"1556258"	327.981606	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+K-2H"	36.948606
"945600"	336.031194	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-H+HCOOH"	44.998194
"374400"	627.064201	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+HCOOH-H"	44.998201
"357549"	641.079851	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+Hac-H"	59.013851
"1500913"	350.046851	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Hac-H"	59.013851
"967362"	358.013151	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-H+NaCOOH"	66.980151
"122831"	326.002402	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+2Cl"	69.938804
"560204"	471.518902	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+2Cl"	69.938804
"1032285"	180.485902	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2Cl"	69.938804
"1251869"	369.951885	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Br"	78.918885
"1316500"	372.007872	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Cl+HCOOH"	80.974872
"1330716"	393.989829	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Cl+NaCOOH"	102.956829
"918494"	404.018586	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M-H+CF3COOH"	112.985586
"1296297"	439.995264	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Cl+CF3COOH"	148.962264
"1375554"	256.020324	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H-2H2O"	-35.012676
"1391955"	274.0303	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H-H2O"	-17.0027
"287268"	583.073276	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+H"	1.007276
"682973"	874.106276	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+H"	1.007276
"1358227"	292.040276	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H"	1.007276
"132209"	292.040276	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+2H"	2.014552
"569584"	437.556776	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+2H"	2.014552
"1042762"	146.523776	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2H"	2.014552
"208474"	195.029276	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+3H"	3.021828
"649127"	292.040276	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+3H"	3.021828
"1164701"	98.018276	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+3H"	3.021828
"426149"	600.099823	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+NH4"	18.033823
"791521"	891.132823	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+NH4"	18.033823
"1688947"	309.066823	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+NH4"	18.033823
"333942"	300.5535495	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+H+NH4"	19.041099
"729652"	446.0700495	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+H+NH4"	19.041099
"1483473"	155.0370495	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H+NH4"	19.041099
"407143"	605.055218	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+Na"	22.989218
"769235"	896.088218	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+Na"	22.989218
"1615992"	314.022218	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Na"	22.989218
"328217"	303.031247	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+H+Na"	23.996494
"721980"	448.547747	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+H+Na"	23.996494
"1476651"	157.514747	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H+Na"	23.996494
"1068202"	105.34559	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2H+Na"	25.00377
"1272548"	324.066486	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+CH3OH+H"	33.033486
"391729"	621.029158	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+K"	38.963158
"753578"	912.062158	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+K"	38.963158
"1554899"	329.996158	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+K"	38.963158
"311825"	311.018217	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+H+K"	39.970434
"703517"	456.534717	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+H+K"	39.970434
"1457337"	165.501717	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H+K"	39.970434
"250312"	624.099826	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+ACN+H"	42.033826
"1219745"	333.066826	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+ACN+H"	42.033826
"1202533"	167.037051	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+ACN+2H"	43.041102
"193219"	627.03716	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+2Na-H"	44.97116
"629865"	918.07016	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+2Na-H"	44.97116
"1135192"	336.00416	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2Na-H"	44.97116
"176296"	314.022218	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+2Na"	45.978436
"621323"	459.538718	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+2Na"	45.978436
"1125921"	168.505718	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2Na"	45.978436
"1402884"	112.672904	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H+2Na"	46.985712
"1438280"	338.045746	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H+HCOOH"	47.012746
"220360"	319.05524	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+3H2O+2H"	56.04448
"1510569"	352.09779	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+IsoProp+H"	61.06479
"411346"	322.009188	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+Na+K"	61.952376
"771252"	467.525688	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+Na+K"	61.952376
"1667214"	176.492688	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Na+K"	61.952376
"251711"	646.081768	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+ACN+Na"	64.015768
"1232288"	355.048768	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+ACN+Na"	64.015768
"1721173"	355.072293	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+NH4+HCOOH"	64.039293
"1184341"	120.000218	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+3Na"	68.967654
"1656423"	360.027688	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Na+HCOOH"	68.994688
"172606"	658.98504	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+2K-H"	76.91904
"612615"	950.01804	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+2K-H"	76.91904
"1099234"	367.95204	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2K-H"	76.91904
"146365"	329.996158	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"2M+2K"	77.926316
"591393"	475.512658	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"3M+2K"	77.926316
"1080280"	184.479658	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2K"	77.926316
"1111302"	369.966592	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2K+H"	78.933592
"1346594"	370.054207	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+DMSO+H"	79.021207
"1015123"	374.093376	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2ACN+H"	83.060376
"1536529"	375.087008	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+IsoProp+Na+H"	84.054008
"1002976"	187.550326	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+2ACN+2H"	84.067652
"1589828"	376.001628	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+K+HCOOH"	84.968628
"1418767"	406.033138	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+H+CF3COOH"	115.000138
"1148691"	208.063601	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+3ACN+2H"	125.094202
"1699702"	423.059685	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+NH4+CF3COOH"	132.026685
"1644107"	428.01508	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+Na+CF3COOH"	136.98208
"1575383"	443.98902	"C06604"	"Parathion;OO-Diethyl O-p-nitrophenyl phosphorothioate;Thiophos;DNTP"	"C10H14NO5PS"	"291.033"	"M+K+CF3COOH"	152.95602
"812311"	261.0589	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M"	0
"987671"	242.04051	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-H2O-H"	-19.01839
"75182"	173.031990666667	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M-3H"	-3.021828
"516202"	260.051624	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M-3H"	-3.021828
"894371"	86.0123573333333	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-3H"	-3.021828
"12216"	260.051624	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M-2H"	-2.014552
"450683"	390.581074	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M-2H"	-2.014552
"830673"	129.522174	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-2H"	-2.014552
"92367"	521.110524	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M-H"	-1.007276
"530220"	782.169424	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M-H"	-1.007276
"906570"	260.051624	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-H"	-1.007276
"59124"	538.137071	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M-2H+NH4"	16.019271
"496494"	799.195971	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M-2H+NH4"	16.019271
"877212"	277.078171	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-2H+NH4"	16.019271
"38916"	543.092466	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M-2H+Na"	20.974666
"482850"	804.151366	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M-2H+Na"	20.974666
"863204"	282.033566	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-2H+Na"	20.974666
"1627998"	282.033566	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Na-2H"	20.974666
"101247"	278.039963	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M-H+Cl"	33.962126
"538619"	408.569413	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M-H+Cl"	33.962126
"929216"	147.510513	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-H+Cl"	33.962126
"271783"	557.087202	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+Cl"	34.969402
"666393"	818.146102	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+Cl"	34.969402
"1275517"	296.028302	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Cl"	34.969402
"21355"	559.066406	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M-2H+K"	36.948606
"456536"	820.125306	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M-2H+K"	36.948606
"835797"	298.007506	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-2H+K"	36.948606
"1557461"	298.007506	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+K-2H"	36.948606
"946806"	306.057094	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-H+HCOOH"	44.998194
"375601"	567.116001	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+HCOOH-H"	44.998201
"355472"	581.131651	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+Hac-H"	59.013851
"1499929"	320.072751	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Hac-H"	59.013851
"965285"	328.039051	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-H+NaCOOH"	66.980151
"122941"	296.028302	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+2Cl"	69.938804
"563595"	426.557752	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+2Cl"	69.938804
"1034947"	165.498852	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2Cl"	69.938804
"1254889"	339.977785	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Br"	78.918885
"1315516"	342.033772	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Cl+HCOOH"	80.974872
"1330826"	364.015729	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Cl+NaCOOH"	102.956829
"916051"	374.044486	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M-H+CF3COOH"	112.985586
"1290935"	410.021164	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Cl+CF3COOH"	148.962264
"1375664"	226.046224	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H-2H2O"	-35.012676
"1390972"	244.0562	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H-H2O"	-17.0027
"287742"	523.125076	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+H"	1.007276
"685269"	784.183976	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+H"	1.007276
"1359430"	262.066176	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H"	1.007276
"129039"	262.066176	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+2H"	2.014552
"567871"	392.595626	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+2H"	2.014552
"1041776"	131.536726	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2H"	2.014552
"205664"	175.046542666667	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+3H"	3.021828
"645954"	262.066176	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+3H"	3.021828
"1165533"	88.0269093333333	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+3H"	3.021828
"426983"	540.151623	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+NH4"	18.033823
"789444"	801.210523	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+NH4"	18.033823
"1682486"	279.092723	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+NH4"	18.033823
"332959"	270.5794495	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+H+NH4"	19.041099
"730855"	401.1088995	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+H+NH4"	19.041099
"1484676"	140.0499995	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H+NH4"	19.041099
"408187"	545.107018	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+Na"	22.989218
"768984"	806.165918	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+Na"	22.989218
"1617443"	284.048118	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Na"	22.989218
"329668"	273.057147	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+H+Na"	23.996494
"722091"	403.586597	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+H+Na"	23.996494
"1475919"	142.527697	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H+Na"	23.996494
"1067666"	95.3542233333333	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2H+Na"	25.00377
"1272138"	294.092386	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+CH3OH+H"	33.033486
"392205"	561.080958	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+K"	38.963158
"753564"	822.139858	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+K"	38.963158
"1554159"	300.022058	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+K"	38.963158
"313644"	281.044117	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+H+K"	39.970434
"705454"	411.573567	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+H+K"	39.970434
"1459633"	150.514667	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H+K"	39.970434
"249939"	564.151626	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+ACN+H"	42.033826
"1218762"	303.092726	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+ACN+H"	42.033826
"1203738"	152.050001	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+ACN+2H"	43.041102
"194422"	567.08896	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+2Na-H"	44.97116
"637263"	828.14786	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+2Na-H"	44.97116
"1138583"	306.03006	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2Na-H"	44.97116
"178593"	284.048118	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+2Na"	45.978436
"614874"	414.577568	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+2Na"	45.978436
"1124939"	153.518668	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2Na"	45.978436
"1402994"	102.681537333333	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H+2Na"	46.985712
"1442401"	308.071646	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H+HCOOH"	47.012746
"221525"	289.08114	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+3H2O+2H"	56.04448
"1513961"	322.12369	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+IsoProp+H"	61.06479
"411460"	292.035088	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+Na+K"	61.952376
"770997"	422.564538	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+Na+K"	61.952376
"1666599"	161.505638	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Na+K"	61.952376
"254218"	586.133568	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+ACN+Na"	64.015768
"1233491"	325.074668	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+ACN+Na"	64.015768
"1721285"	325.098193	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+NH4+HCOOH"	64.039293
"1193200"	110.008851333333	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+3Na"	68.967654
"1662001"	330.053588	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Na+HCOOH"	68.994688
"172032"	599.03684	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+2K-H"	76.91904
"608429"	860.09574	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+2K-H"	76.91904
"1096222"	337.97794	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2K-H"	76.91904
"146476"	300.022058	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"2M+2K"	77.926316
"590411"	430.551508	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"3M+2K"	77.926316
"1074924"	169.492608	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2K"	77.926316
"1113600"	339.992492	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2K+H"	78.933592
"1343425"	340.080107	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+DMSO+H"	79.021207
"1014140"	344.119276	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2ACN+H"	83.060376
"1536639"	345.112908	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+IsoProp+Na+H"	84.054008
"1000899"	172.563276	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+2ACN+2H"	84.067652
"1594307"	346.027528	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+K+HCOOH"	84.968628
"1419969"	376.059038	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+H+CF3COOH"	115.000138
"1149166"	193.076551	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+3ACN+2H"	125.094202
"1698718"	393.085585	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+NH4+CF3COOH"	132.026685
"1640935"	398.04098	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+Na+CF3COOH"	136.98208
"1575493"	414.01492	"C06605"	"Aminoparathion"	"C10H16NO3PS"	"261.0589"	"M+K+CF3COOH"	152.95602
"812423"	275.0559	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M"	0
"984863"	256.03751	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-H2O-H"	-19.01839
"68730"	182.363324	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M-3H"	-3.021828
"515946"	274.048624	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M-3H"	-3.021828
"893747"	90.678024	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-3H"	-3.021828
"10137"	274.048624	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M-2H"	-2.014552
"453346"	411.576574	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M-2H"	-2.014552
"829687"	136.520674	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-2H"	-2.014552
"91140"	549.104524	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M-H"	-1.007276
"529238"	824.160424	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M-H"	-1.007276
"904859"	274.048624	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-H"	-1.007276
"57776"	566.131071	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M-2H+NH4"	16.019271
"495514"	841.186971	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M-2H+NH4"	16.019271
"864927"	291.075171	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-2H+NH4"	16.019271
"39029"	571.086466	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M-2H+Na"	20.974666
"482963"	846.142366	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M-2H+Na"	20.974666
"854206"	296.030566	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-2H+Na"	20.974666
"1628112"	296.030566	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Na-2H"	20.974666
"109013"	292.036963	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M-H+Cl"	33.962126
"545292"	429.564913	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M-H+Cl"	33.962126
"935526"	154.509013	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-H+Cl"	33.962126
"272988"	585.081202	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+Cl"	34.969402
"669783"	860.137102	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+Cl"	34.969402
"1279998"	310.025302	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Cl"	34.969402
"24744"	587.060406	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M-2H+K"	36.948606
"465400"	862.116306	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M-2H+K"	36.948606
"842107"	312.004506	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-2H+K"	36.948606
"1565595"	312.004506	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+K-2H"	36.948606
"950197"	320.054094	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-H+HCOOH"	44.998194
"372796"	595.110001	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+HCOOH-H"	44.998201
"356678"	609.125651	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+Hac-H"	59.013851
"1500043"	334.069751	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Hac-H"	59.013851
"966490"	342.036051	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-H+NaCOOH"	66.980151
"124874"	310.025302	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+2Cl"	69.938804
"561520"	447.553252	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+2Cl"	69.938804
"1030318"	172.497352	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2Cl"	69.938804
"1254270"	353.974785	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Br"	78.918885
"1310887"	356.030772	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Cl+HCOOH"	80.974872
"1323644"	378.012729	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Cl+NaCOOH"	102.956829
"917254"	388.041486	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M-H+CF3COOH"	112.985586
"1291045"	424.018164	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Cl+CF3COOH"	148.962264
"1374680"	240.043224	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H-2H2O"	-35.012676
"1386708"	258.0532	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H-H2O"	-17.0027
"283845"	551.119076	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+H"	1.007276
"681006"	826.174976	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+H"	1.007276
"1352979"	276.063176	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H"	1.007276
"128055"	276.063176	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+2H"	2.014552
"566309"	413.591126	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+2H"	2.014552
"1037874"	138.535226	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2H"	2.014552
"204922"	184.377876	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+3H"	3.021828
"645700"	276.063176	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+3H"	3.021828
"1164916"	92.692576	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+3H"	3.021828
"426002"	568.145623	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+NH4"	18.033823
"791741"	843.201523	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+NH4"	18.033823
"1688072"	293.089723	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+NH4"	18.033823
"335257"	284.5764495	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+H+NH4"	19.041099
"730963"	422.1043995	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+H+NH4"	19.041099
"1486974"	147.0484995	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H+NH4"	19.041099
"408089"	573.101018	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+Na"	22.989218
"769863"	848.156918	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+Na"	22.989218
"1615851"	298.045118	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Na"	22.989218
"328562"	287.054147	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+H+Na"	23.996494
"716124"	424.582097	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+H+Na"	23.996494
"1467759"	149.526197	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H+Na"	23.996494
"1062098"	100.01989	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2H+Na"	25.00377
"1264870"	308.089386	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+CH3OH+H"	33.033486
"384538"	589.074958	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+K"	38.963158
"749907"	864.130858	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+K"	38.963158
"1551958"	314.019058	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+K"	38.963158
"312416"	295.041117	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+H+K"	39.970434
"705564"	432.569067	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+H+K"	39.970434
"1459748"	157.513167	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H+K"	39.970434
"249082"	592.145626	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+ACN+H"	42.033826
"1211581"	317.089726	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+ACN+H"	42.033826
"1195464"	159.048501	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+ACN+2H"	43.041102
"192348"	595.08296	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+2Na-H"	44.97116
"628990"	870.13886	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+2Na-H"	44.97116
"1134319"	320.02706	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2Na-H"	44.97116
"179799"	298.045118	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+2Na"	45.978436
"616077"	435.573068	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+2Na"	45.978436
"1121769"	160.517168	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2Na"	45.978436
"1402011"	107.347204	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H+2Na"	46.985712
"1431088"	322.068646	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H+HCOOH"	47.012746
"221030"	303.07814	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+3H2O+2H"	56.04448
"1509452"	336.12069	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+IsoProp+H"	61.06479
"410599"	306.032088	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+Na+K"	61.952376
"773664"	443.560038	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+Na+K"	61.952376
"1668170"	168.504138	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Na+K"	61.952376
"255424"	614.127568	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+ACN+Na"	64.015768
"1234702"	339.071668	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+ACN+Na"	64.015768
"1721400"	339.095193	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+NH4+HCOOH"	64.039293
"1186752"	114.674518	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+3Na"	68.967654
"1664304"	344.050588	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Na+HCOOH"	68.994688
"165697"	627.03084	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+2K-H"	76.91904
"609631"	902.08674	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+2K-H"	76.91904
"1094142"	351.97494	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2K-H"	76.91904
"147681"	314.019058	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"2M+2K"	77.926316
"586149"	451.547008	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"3M+2K"	77.926316
"1072847"	176.491108	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2K"	77.926316
"1106057"	353.989492	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2K+H"	78.933592
"1343535"	354.077107	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+DMSO+H"	79.021207
"1014254"	358.116276	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2ACN+H"	83.060376
"1531283"	359.109908	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+IsoProp+Na+H"	84.054008
"999916"	179.561776	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+2ACN+2H"	84.067652
"1592235"	360.024528	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+K+HCOOH"	84.968628
"1418987"	390.056038	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+H+CF3COOH"	115.000138
"1148546"	200.075051	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+3ACN+2H"	125.094202
"1699920"	407.082585	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+NH4+CF3COOH"	132.026685
"1638858"	412.03798	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+Na+CF3COOH"	136.98208
"1572685"	428.01192	"C06606"	"Paraoxon;OO-Diethyl-O-p-nitrophenylphosphoric acid"	"C10H14NO6P"	"275.0559"	"M+K+CF3COOH"	152.95602
"812531"	170.0167	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M"	0
"982783"	150.99831	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-H2O-H"	-19.01839
"74309"	112.337190666667	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M-3H"	-3.021828
"518251"	169.009424	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M-3H"	-3.021828
"894830"	55.6649573333333	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-3H"	-3.021828
"13525"	169.009424	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M-2H"	-2.014552
"453820"	254.017774	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M-2H"	-2.014552
"829797"	84.001074	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-2H"	-2.014552
"90886"	339.026124	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M-H"	-1.007276
"532147"	509.042824	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M-H"	-1.007276
"903877"	169.009424	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-H"	-1.007276
"58981"	356.052671	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M-2H+NH4"	16.019271
"496719"	526.069371	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M-2H+NH4"	16.019271
"869051"	186.035971	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-2H+NH4"	16.019271
"38046"	361.008066	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M-2H+Na"	20.974666
"481980"	531.024766	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M-2H+Na"	20.974666
"854316"	190.991366	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-2H+Na"	20.974666
"1630409"	190.991366	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Na-2H"	20.974666
"109123"	186.997763	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M-H+Cl"	33.962126
"545402"	272.006113	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M-H+Cl"	33.962126
"934542"	101.989413	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-H+Cl"	33.962126
"270911"	375.002802	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+Cl"	34.969402
"665519"	545.019502	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+Cl"	34.969402
"1276829"	204.986102	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Cl"	34.969402
"16343"	376.982006	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M-2H+K"	36.948606
"455901"	546.998706	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M-2H+K"	36.948606
"833092"	206.965306	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-2H+K"	36.948606
"1555975"	206.965306	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+K-2H"	36.948606
"943131"	215.014894	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-H+HCOOH"	44.998194
"369626"	385.031601	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+HCOOH-H"	44.998201
"353507"	399.047251	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+Hac-H"	59.013851
"1502340"	229.030551	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Hac-H"	59.013851
"970974"	236.996851	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-H+NaCOOH"	66.980151
"123161"	204.986102	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+2Cl"	69.938804
"561628"	289.994452	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+2Cl"	69.938804
"1029334"	119.977752	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2Cl"	69.938804
"1253286"	248.935585	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Br"	78.918885
"1310633"	250.991572	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Cl+HCOOH"	80.974872
"1325577"	272.973529	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Cl+NaCOOH"	102.956829
"914812"	283.002286	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M-H+CF3COOH"	112.985586
"1290061"	318.978964	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Cl+CF3COOH"	148.962264
"1367243"	135.004024	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H-2H2O"	-35.012676
"1386818"	153.014	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H-H2O"	-17.0027
"288331"	341.040676	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+H"	1.007276
"683302"	511.057376	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+H"	1.007276
"1356734"	171.023976	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H"	1.007276
"128893"	171.023976	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+2H"	2.014552
"565813"	256.032326	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+2H"	2.014552
"1038469"	86.015626	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2H"	2.014552
"205273"	114.351742666667	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+3H"	3.021828
"646176"	171.023976	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+3H"	3.021828
"1164903"	57.6795093333333	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+3H"	3.021828
"425383"	358.067223	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+NH4"	18.033823
"785848"	528.083923	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+NH4"	18.033823
"1681368"	188.050523	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+NH4"	18.033823
"331721"	179.5372495	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+H+NH4"	19.041099
"722822"	264.5455995	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+H+NH4"	19.041099
"1477958"	94.5288995	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H+NH4"	19.041099
"399201"	363.022618	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+Na"	22.989218
"767738"	533.039318	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+Na"	22.989218
"1614866"	193.005918	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Na"	22.989218
"328184"	182.014947	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+H+Na"	23.996494
"721333"	267.023297	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+H+Na"	23.996494
"1472242"	97.006597	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H+Na"	23.996494
"1066215"	65.0068233333333	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2H+Na"	25.00377
"1269352"	203.050186	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+CH3OH+H"	33.033486
"390843"	378.996558	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+K"	38.963158
"753416"	549.013258	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+K"	38.963158
"1555486"	208.979858	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+K"	38.963158
"311429"	190.001917	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+H+K"	39.970434
"701657"	275.010267	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+H+K"	39.970434
"1457666"	104.993567	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H+K"	39.970434
"246269"	382.067226	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+ACN+H"	42.033826
"1211567"	212.050526	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+ACN+H"	42.033826
"1196058"	106.528901	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+ACN+2H"	43.041102
"193551"	385.00456	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+2Na-H"	44.97116
"630924"	555.02126	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+2Na-H"	44.97116
"1133578"	214.98786	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2Na-H"	44.97116
"178815"	193.005918	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+2Na"	45.978436
"618374"	278.014268	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+2Na"	45.978436
"1122974"	107.997568	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2Na"	45.978436
"1400298"	72.3341373333333	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H+2Na"	46.985712
"1431805"	217.029446	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H+HCOOH"	47.012746
"221748"	198.03894	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+3H2O+2H"	56.04448
"1509926"	231.08149	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+IsoProp+H"	61.06479
"409855"	200.992888	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+Na+K"	61.952376
"770853"	286.001238	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+Na+K"	61.952376
"1666577"	115.984538	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Na+K"	61.952376
"254441"	404.049168	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+ACN+Na"	64.015768
"1234809"	234.032468	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+ACN+Na"	64.015768
"1723333"	234.055993	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+NH4+HCOOH"	64.039293
"1189049"	79.6614513333333	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+3Na"	68.967654
"1660039"	239.011388	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Na+HCOOH"	68.994688
"167994"	416.95244	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+2K-H"	76.91904
"610834"	586.96914	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+2K-H"	76.91904
"1093159"	246.93574	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2K-H"	76.91904
"153259"	208.979858	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"2M+2K"	77.926316
"588445"	293.988208	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"3M+2K"	77.926316
"1074050"	123.971508	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2K"	77.926316
"1105073"	248.950292	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2K+H"	78.933592
"1341458"	249.037907	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+DMSO+H"	79.021207
"1011083"	253.077076	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2ACN+H"	83.060376
"1531393"	254.070708	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+IsoProp+Na+H"	84.054008
"1002213"	127.042176	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+2ACN+2H"	84.067652
"1592344"	254.985328	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+K+HCOOH"	84.968628
"1419096"	285.016838	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+H+CF3COOH"	115.000138
"1148293"	147.555451	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+3ACN+2H"	125.094202
"1698937"	302.043385	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+NH4+CF3COOH"	132.026685
"1638969"	306.99878	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+Na+CF3COOH"	136.98208
"1572432"	322.97272	"C06607"	"Diethylthiophosphoric acid;DETP"	"C4H11O3PS"	"170.0167"	"M+K+CF3COOH"	152.95602
"812641"	154.0395	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M"	0
"981801"	135.02111	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-H2O-H"	-19.01839
"78412"	101.685724	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M-3H"	-3.021828
"517875"	153.032224	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M-3H"	-3.021828
"895069"	50.339224	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-3H"	-3.021828
"10357"	153.032224	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M-2H"	-2.014552
"453932"	230.051974	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M-2H"	-2.014552
"830640"	76.012474	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-2H"	-2.014552
"91728"	307.071724	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M-H"	-1.007276
"533469"	461.111224	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M-H"	-1.007276
"906904"	153.032224	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-H"	-1.007276
"59455"	324.098271	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M-2H+NH4"	16.019271
"499745"	478.137771	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M-2H+NH4"	16.019271
"874630"	170.058771	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-2H+NH4"	16.019271
"42531"	329.053666	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M-2H+Na"	20.974666
"484277"	483.093166	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M-2H+Na"	20.974666
"853333"	175.014166	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-2H+Na"	20.974666
"1628332"	175.014166	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Na-2H"	20.974666
"108140"	171.020563	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M-H+Cl"	33.962126
"542232"	248.040313	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M-H+Cl"	33.962126
"932465"	94.000813	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-H+Cl"	33.962126
"273207"	343.048402	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+Cl"	34.969402
"666722"	497.087902	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+Cl"	34.969402
"1275116"	189.008902	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Cl"	34.969402
"18401"	345.027606	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M-2H+K"	36.948606
"458326"	499.067106	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M-2H+K"	36.948606
"836127"	190.988106	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-2H+K"	36.948606
"1555801"	190.988106	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+K-2H"	36.948606
"942874"	199.037694	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-H+HCOOH"	44.998194
"369736"	353.077201	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+HCOOH-H"	44.998201
"352888"	367.092851	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+Hac-H"	59.013851
"1504636"	213.053351	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Hac-H"	59.013851
"971084"	221.019651	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-H+NaCOOH"	66.980151
"123271"	189.008902	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+2Cl"	69.938804
"563925"	266.028652	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+2Cl"	69.938804
"1032726"	111.989152	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2Cl"	69.938804
"1253398"	232.958385	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Br"	78.918885
"1311473"	235.014372	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Cl+HCOOH"	80.974872
"1324959"	256.996329	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Cl+NaCOOH"	102.956829
"914922"	267.025086	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M-H+CF3COOH"	112.985586
"1290171"	303.001764	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Cl+CF3COOH"	148.962264
"1367309"	119.026824	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H-2H2O"	-35.012676
"1383516"	137.0368	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H-H2O"	-17.0027
"283572"	309.086276	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+H"	1.007276
"675720"	463.125776	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+H"	1.007276
"1351406"	155.046776	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H"	1.007276
"127178"	155.046776	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+2H"	2.014552
"566376"	232.066526	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+2H"	2.014552
"1037479"	78.027026	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2H"	2.014552
"205021"	103.700276	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+3H"	3.021828
"647381"	155.046776	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+3H"	3.021828
"1167693"	52.353776	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+3H"	3.021828
"424289"	326.112823	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+NH4"	18.033823
"786858"	480.152323	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+NH4"	18.033823
"1681850"	172.073323	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+NH4"	18.033823
"332196"	163.5600495	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+H+NH4"	19.041099
"725710"	240.5797995	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+H+NH4"	19.041099
"1482812"	86.5402995	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H+NH4"	19.041099
"400401"	331.068218	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+Na"	22.989218
"769674"	485.107718	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+Na"	22.989218
"1617817"	177.028718	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Na"	22.989218
"329025"	166.037747	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+H+Na"	23.996494
"722747"	243.057497	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+H+Na"	23.996494
"1475631"	89.017997	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H+Na"	23.996494
"1065596"	59.68109	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2H+Na"	25.00377
"1271649"	187.072986	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+CH3OH+H"	33.033486
"391682"	347.042158	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+K"	38.963158
"752920"	501.081658	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+K"	38.963158
"1554002"	193.002658	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+K"	38.963158
"314054"	174.024717	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+H+K"	39.970434
"702861"	251.044467	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+H+K"	39.970434
"1455589"	97.004967	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H+K"	39.970434
"246379"	350.112826	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+ACN+H"	42.033826
"1212896"	196.073326	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+ACN+H"	42.033826
"1198602"	98.540301	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+ACN+2H"	43.041102
"192569"	353.05016	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+2Na-H"	44.97116
"629941"	507.08966	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+2Na-H"	44.97116
"1133446"	199.01066	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2Na-H"	44.97116
"178925"	177.028718	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+2Na"	45.978436
"618484"	254.048468	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+2Na"	45.978436
"1120897"	100.008968	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2Na"	45.978436
"1399314"	67.008404	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H+2Na"	46.985712
"1431066"	201.052246	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H+HCOOH"	47.012746
"222587"	182.06174	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+3H2O+2H"	56.04448
"1508738"	215.10429	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+IsoProp+H"	61.06479
"409237"	185.015688	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+Na+K"	61.952376
"770721"	262.035438	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+Na+K"	61.952376
"1666688"	107.995938	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Na+K"	61.952376
"254551"	372.094768	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+ACN+Na"	64.015768
"1234919"	218.055268	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+ACN+Na"	64.015768
"1725264"	218.078793	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+NH4+HCOOH"	64.039293
"1190252"	74.335718	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+3Na"	68.967654
"1662336"	223.034188	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Na+HCOOH"	68.994688
"170291"	384.99804	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+2K-H"	76.91904
"610944"	539.03754	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+2K-H"	76.91904
"1094362"	230.95854	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2K-H"	76.91904
"154459"	193.002658	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"2M+2K"	77.926316
"588556"	270.022408	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"3M+2K"	77.926316
"1073066"	115.982908	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2K"	77.926316
"1108463"	232.973092	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2K+H"	78.933592
"1341568"	233.060707	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+DMSO+H"	79.021207
"1012287"	237.099876	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2ACN+H"	83.060376
"1529316"	238.093508	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+IsoProp+Na+H"	84.054008
"1000136"	119.053576	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+2ACN+2H"	84.067652
"1591360"	239.008128	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+K+HCOOH"	84.968628
"1419206"	269.039638	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+H+CF3COOH"	115.000138
"1150589"	139.566851	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+3ACN+2H"	125.094202
"1700141"	286.066185	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+NH4+CF3COOH"	132.026685
"1644547"	291.02158	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+Na+CF3COOH"	136.98208
"1579103"	306.99552	"C06608"	"Diethylphosphoric acid;OO-Diethylphosphoric acid"	"C4H11O4P"	"154.0395"	"M+K+CF3COOH"	152.95602
"812751"	109.969	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M"	0
"977536"	90.95061	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-H2O-H"	-19.01839
"72341"	72.3053906666667	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M-3H"	-3.021828
"512996"	108.961724	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M-3H"	-3.021828
"887516"	35.6490573333333	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-3H"	-3.021828
"7183"	108.961724	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M-2H"	-2.014552
"448933"	163.946224	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M-2H"	-2.014552
"830016"	53.977224	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-2H"	-2.014552
"92924"	218.930724	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M-H"	-1.007276
"531632"	328.899724	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M-H"	-1.007276
"907378"	108.961724	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-H"	-1.007276
"57376"	235.957271	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M-2H+NH4"	16.019271
"489283"	345.926271	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M-2H+NH4"	16.019271
"873646"	125.988271	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-2H+NH4"	16.019271
"40452"	240.912666	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M-2H+Na"	20.974666
"480012"	350.881666	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M-2H+Na"	20.974666
"857815"	130.943666	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-2H+Na"	20.974666
"1629534"	130.943666	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Na-2H"	20.974666
"104966"	126.950063	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M-H+Cl"	33.962126
"540151"	181.934563	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M-H+Cl"	33.962126
"928561"	71.965563	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-H+Cl"	33.962126
"267232"	254.907402	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+Cl"	34.969402
"660875"	364.876402	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+Cl"	34.969402
"1273272"	144.938402	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Cl"	34.969402
"15865"	256.886606	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M-2H+K"	36.948606
"456037"	366.855606	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M-2H+K"	36.948606
"833068"	146.917606	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-2H+K"	36.948606
"1555612"	146.917606	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+K-2H"	36.948606
"943266"	154.967194	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-H+HCOOH"	44.998194
"364371"	264.936201	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+HCOOH-H"	44.998201
"347160"	278.951851	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+Hac-H"	59.013851
"1494530"	168.982851	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Hac-H"	59.013851
"958829"	176.949151	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-H+NaCOOH"	66.980151
"111347"	144.938402	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+2Cl"	69.938804
"558566"	199.922902	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+2Cl"	69.938804
"1025906"	89.953902	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2Cl"	69.938804
"1252415"	188.887885	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Br"	78.918885
"1311580"	190.943872	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Cl+HCOOH"	80.974872
"1327982"	212.925829	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Cl+NaCOOH"	102.956829
"915395"	222.954586	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M-H+CF3COOH"	112.985586
"1288609"	258.931264	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Cl+CF3COOH"	148.962264
"1367335"	74.956324	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H-2H2O"	-35.012676
"1383006"	92.9663	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H-H2O"	-17.0027
"283561"	220.945276	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+H"	1.007276
"676461"	330.914276	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+H"	1.007276
"1351552"	110.976276	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H"	1.007276
"126313"	110.976276	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+2H"	2.014552
"566360"	165.960776	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+2H"	2.014552
"1037835"	55.991776	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2H"	2.014552
"205490"	74.3199426666667	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+3H"	3.021828
"647491"	110.976276	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+3H"	3.021828
"1165616"	37.6636093333333	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+3H"	3.021828
"424358"	237.971823	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+NH4"	18.033823
"786968"	347.940823	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+NH4"	18.033823
"1681717"	128.002823	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+NH4"	18.033823
"332306"	119.4895495	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+H+NH4"	19.041099
"723631"	174.4740495	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+H+NH4"	19.041099
"1480006"	64.5050495	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H+NH4"	19.041099
"400509"	242.927218	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+Na"	22.989218
"769662"	352.896218	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+Na"	22.989218
"1618168"	132.958218	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Na"	22.989218
"326216"	121.967247	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+H+Na"	23.996494
"721434"	176.951747	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+H+Na"	23.996494
"1475499"	66.982747	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H+Na"	23.996494
"1067407"	44.9909233333333	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2H+Na"	25.00377
"1270665"	143.002486	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+CH3OH+H"	33.033486
"391911"	258.901158	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+K"	38.963158
"753635"	368.870158	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+K"	38.963158
"1554354"	148.932158	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+K"	38.963158
"314025"	129.954217	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+H+K"	39.970434
"701878"	184.938717	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+H+K"	39.970434
"1452420"	74.969717	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H+K"	39.970434
"244302"	261.971826	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+ACN+H"	42.033826
"1211913"	152.002826	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+ACN+H"	42.033826
"1199805"	76.505051	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+ACN+2H"	43.041102
"191949"	264.90916	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+2Na-H"	44.97116
"630415"	374.87816	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+2Na-H"	44.97116
"1133556"	154.94016	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2Na-H"	44.97116
"178306"	132.958218	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+2Na"	45.978436
"612823"	187.942718	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+2Na"	45.978436
"1118090"	77.973718	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2Na"	45.978436
"1399182"	52.3182373333333	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H+2Na"	46.985712
"1432270"	156.981746	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H+HCOOH"	47.012746
"222697"	137.99124	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+3H2O+2H"	56.04448
"1510024"	171.03379	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+IsoProp+H"	61.06479
"408983"	140.945188	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+Na+K"	61.952376
"770465"	195.929688	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+Na+K"	61.952376
"1666312"	85.960688	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Na+K"	61.952376
"253932"	283.953768	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+ACN+Na"	64.015768
"1235029"	173.984768	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+ACN+Na"	64.015768
"1722823"	174.008293	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+NH4+HCOOH"	64.039293
"1188176"	59.6455513333333	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+3Na"	68.967654
"1662446"	178.963688	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Na+HCOOH"	68.994688
"169306"	296.85704	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+2K-H"	76.91904
"608865"	406.82604	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+2K-H"	76.91904
"1095565"	186.88804	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2K-H"	76.91904
"153476"	148.932158	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"2M+2K"	77.926316
"586479"	203.916658	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"3M+2K"	77.926316
"1073176"	93.947658	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2K"	77.926316
"1107479"	188.902592	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2K+H"	78.933592
"1341678"	188.990207	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+DMSO+H"	79.021207
"1016767"	193.029376	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2ACN+H"	83.060376
"1530519"	194.023008	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+IsoProp+Na+H"	84.054008
"1000246"	97.018326	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+2ACN+2H"	84.067652
"1591470"	194.937628	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+K+HCOOH"	84.968628
"1418223"	224.969138	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+H+CF3COOH"	115.000138
"1149605"	117.531601	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+3ACN+2H"	125.094202
"1700250"	241.995685	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+NH4+CF3COOH"	132.026685
"1644657"	246.95108	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+Na+CF3COOH"	136.98208
"1579213"	262.92502	"C06609"	"trans-13-Dichloropropene;trans-3-Chloroallyl chloride"	"C3H4Cl2"	"109.969"	"M+K+CF3COOH"	152.95602
"806302"	109.969	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M"	0
"979833"	90.95061	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-H2O-H"	-19.01839
"72451"	72.3053906666667	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M-3H"	-3.021828
"515293"	108.961724	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M-3H"	-3.021828
"887626"	35.6490573333333	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-3H"	-3.021828
"8385"	108.961724	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M-2H"	-2.014552
"447950"	163.946224	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M-2H"	-2.014552
"829033"	53.977224	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-2H"	-2.014552
"89755"	218.930724	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M-H"	-1.007276
"526396"	328.899724	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M-H"	-1.007276
"904572"	108.961724	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-H"	-1.007276
"54207"	235.957271	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M-2H+NH4"	16.019271
"490486"	345.926271	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M-2H+NH4"	16.019271
"870475"	125.988271	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-2H+NH4"	16.019271
"41656"	240.912666	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M-2H+Na"	20.974666
"479028"	350.881666	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M-2H+Na"	20.974666
"853550"	130.943666	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-2H+Na"	20.974666
"1628550"	130.943666	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Na-2H"	20.974666
"102890"	126.950063	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M-H+Cl"	33.962126
"540261"	181.934563	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M-H+Cl"	33.962126
"928307"	71.965563	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-H+Cl"	33.962126
"267508"	254.907402	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+Cl"	34.969402
"660619"	364.876402	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+Cl"	34.969402
"1273749"	144.938402	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Cl"	34.969402
"15832"	256.886606	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M-2H+K"	36.948606
"456149"	366.855606	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M-2H+K"	36.948606
"833547"	146.917606	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-2H+K"	36.948606
"1556186"	146.917606	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+K-2H"	36.948606
"943337"	154.967194	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-H+HCOOH"	44.998194
"364845"	264.936201	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+HCOOH-H"	44.998201
"346257"	278.951851	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+Hac-H"	59.013851
"1495007"	168.982851	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Hac-H"	59.013851
"960724"	176.949151	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-H+NaCOOH"	66.980151
"111214"	144.938402	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+2Cl"	69.938804
"557583"	199.922902	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+2Cl"	69.938804
"1030755"	89.953902	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2Cl"	69.938804
"1251431"	188.887885	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Br"	78.918885
"1314969"	190.943872	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Cl+HCOOH"	80.974872
"1327001"	212.925829	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Cl+NaCOOH"	102.956829
"912589"	222.954586	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M-H+CF3COOH"	112.985586
"1289293"	258.931264	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Cl+CF3COOH"	148.962264
"1367086"	74.956324	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H-2H2O"	-35.012676
"1382834"	92.9663	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H-H2O"	-17.0027
"283428"	220.945276	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+H"	1.007276
"676370"	330.914276	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+H"	1.007276
"1351990"	110.976276	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H"	1.007276
"127155"	110.976276	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+2H"	2.014552
"566720"	165.960776	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+2H"	2.014552
"1037577"	55.991776	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2H"	2.014552
"205481"	74.3199426666667	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+3H"	3.021828
"647601"	110.976276	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+3H"	3.021828
"1167913"	37.6636093333333	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+3H"	3.021828
"428998"	237.971823	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+NH4"	18.033823
"786835"	347.940823	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+NH4"	18.033823
"1683037"	128.002823	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+NH4"	18.033823
"333509"	119.4895495	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+H+NH4"	19.041099
"727383"	174.4740495	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+H+NH4"	19.041099
"1480845"	64.5050495	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H+NH4"	19.041099
"401714"	242.927218	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+Na"	22.989218
"769284"	352.896218	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+Na"	22.989218
"1614099"	132.958218	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Na"	22.989218
"324139"	121.967247	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+H+Na"	23.996494
"720813"	176.951747	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+H+Na"	23.996494
"1474755"	66.982747	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H+Na"	23.996494
"1065816"	44.9909233333333	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2H+Na"	25.00377
"1270044"	143.002486	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+CH3OH+H"	33.033486
"391534"	258.901158	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+K"	38.963158
"748153"	368.870158	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+K"	38.963158
"1554580"	148.932158	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+K"	38.963158
"307381"	129.954217	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+H+K"	39.970434
"700895"	184.938717	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+H+K"	39.970434
"1452530"	74.969717	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H+K"	39.970434
"242223"	261.971826	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+ACN+H"	42.033826
"1214939"	152.002826	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+ACN+H"	42.033826
"1195542"	76.505051	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+ACN+2H"	43.041102
"190357"	264.90916	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+2Na-H"	44.97116
"630161"	374.87816	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+2Na-H"	44.97116
"1132938"	154.94016	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2Na-H"	44.97116
"175499"	132.958218	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+2Na"	45.978436
"613714"	187.942718	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+2Na"	45.978436
"1116090"	77.973718	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2Na"	45.978436
"1398638"	52.3182373333333	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H+2Na"	46.985712
"1433108"	156.981746	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H+HCOOH"	47.012746
"221105"	137.99124	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+3H2O+2H"	56.04448
"1510507"	171.03379	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+IsoProp+H"	61.06479
"408929"	140.945188	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+Na+K"	61.952376
"771302"	195.929688	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+Na+K"	61.952376
"1666418"	85.960688	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Na+K"	61.952376
"252585"	283.953768	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+ACN+Na"	64.015768
"1236235"	173.984768	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+ACN+Na"	64.015768
"1724027"	174.008293	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+NH4+HCOOH"	64.039293
"1186100"	59.6455513333333	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+3Na"	68.967654
"1662556"	178.963688	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Na+HCOOH"	68.994688
"168325"	296.85704	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+2K-H"	76.91904
"610070"	406.82604	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+2K-H"	76.91904
"1095676"	186.88804	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2K-H"	76.91904
"153585"	148.932158	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"2M+2K"	77.926316
"584402"	203.916658	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"3M+2K"	77.926316
"1075473"	93.947658	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2K"	77.926316
"1107589"	188.902592	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2K+H"	78.933592
"1343974"	188.990207	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+DMSO+H"	79.021207
"1014691"	193.029376	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2ACN+H"	83.060376
"1529534"	194.023008	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+IsoProp+Na+H"	84.054008
"994889"	97.018326	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+2ACN+2H"	84.067652
"1594859"	194.937628	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+K+HCOOH"	84.968628
"1415174"	224.969138	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+H+CF3COOH"	115.000138
"1147772"	117.531601	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+3ACN+2H"	125.094202
"1698174"	241.995685	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+NH4+CF3COOH"	132.026685
"1644767"	246.95108	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+Na+CF3COOH"	136.98208
"1579323"	262.92502	"C06610"	"cis-13-Dichloropropene"	"C3H4Cl2"	"109.969"	"M+K+CF3COOH"	152.95602
"809692"	92.0029	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M"	0
"977756"	72.98451	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H2O-H"	-19.01839
"74748"	60.3279906666667	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-3H"	-3.021828
"514309"	90.995624	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-3H"	-3.021828
"889922"	29.6603573333333	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-3H"	-3.021828
"8495"	90.995624	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H"	-2.014552
"450246"	136.997074	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H"	-2.014552
"829143"	44.994174	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H"	-2.014552
"90594"	182.998524	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-H"	-1.007276
"529787"	275.001424	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-H"	-1.007276
"903224"	90.995624	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H"	-1.007276
"57596"	200.025071	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H+NH4"	16.019271
"491690"	292.027971	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H+NH4"	16.019271
"867304"	108.022171	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H+NH4"	16.019271
"32288"	204.980466	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H+Na"	20.974666
"481326"	296.983366	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H+Na"	20.974666
"853661"	112.977566	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H+Na"	20.974666
"1625381"	112.977566	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na-2H"	20.974666
"105188"	108.983963	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-H+Cl"	33.962126
"540372"	154.985413	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-H+Cl"	33.962126
"929512"	62.982513	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+Cl"	33.962126
"270256"	218.975202	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Cl"	34.969402
"660486"	310.978102	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+Cl"	34.969402
"1275078"	126.972302	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl"	34.969402
"19823"	220.954406	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H+K"	36.948606
"460477"	312.957306	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H+K"	36.948606
"837185"	128.951506	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H+K"	36.948606
"1556782"	128.951506	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K-2H"	36.948606
"943082"	137.001094	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+HCOOH"	44.998194
"367510"	229.004001	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+HCOOH-H"	44.998201
"351027"	243.019651	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Hac-H"	59.013851
"1493781"	151.016751	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Hac-H"	59.013851
"964119"	158.983051	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+NaCOOH"	66.980151
"116307"	126.972302	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2Cl"	69.938804
"558056"	172.973752	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2Cl"	69.938804
"1026855"	80.970852	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2Cl"	69.938804
"1244974"	170.921785	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Br"	78.918885
"1310707"	172.977772	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl+HCOOH"	80.974872
"1328202"	194.959729	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl+NaCOOH"	102.956829
"915251"	204.988486	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+CF3COOH"	112.985586
"1289042"	240.965164	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl+CF3COOH"	148.962264
"1367062"	56.990224	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H-2H2O"	-35.012676
"1385062"	75.0002	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H-H2O"	-17.0027
"283330"	185.013076	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H"	1.007276
"675722"	277.015976	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H"	1.007276
"1351817"	93.010176	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H"	1.007276
"127138"	93.010176	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2H"	2.014552
"568533"	139.011626	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2H"	2.014552
"1037816"	47.008726	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2H"	2.014552
"204620"	62.3425426666667	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+3H"	3.021828
"647711"	93.010176	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+3H"	3.021828
"1165835"	31.6749093333333	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+3H"	3.021828
"425828"	202.039623	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+NH4"	18.033823
"786815"	294.042523	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+NH4"	18.033823
"1682782"	110.036723	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+NH4"	18.033823
"330817"	101.5234495	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H+NH4"	19.041099
"723361"	147.5248995	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H+NH4"	19.041099
"1478768"	55.5219995	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+NH4"	19.041099
"404010"	206.995018	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Na"	22.989218
"769156"	298.997918	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+Na"	22.989218
"1617981"	114.992118	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na"	22.989218
"328868"	104.001147	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H+Na"	23.996494
"721654"	150.002597	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H+Na"	23.996494
"1476284"	57.999697	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+Na"	23.996494
"1067014"	39.0022233333333	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2H+Na"	25.00377
"1270881"	125.036386	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+CH3OH+H"	33.033486
"391643"	222.968958	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+K"	38.963158
"749355"	314.971858	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+K"	38.963158
"1551410"	130.966058	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K"	38.963158
"310771"	111.988117	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H+K"	39.970434
"702099"	157.989567	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H+K"	39.970434
"1454825"	65.986667	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+K"	39.970434
"243426"	226.039626	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+ACN+H"	42.033826
"1213228"	134.036726	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+ACN+H"	42.033826
"1198204"	67.522001	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+ACN+2H"	43.041102
"190347"	228.97696	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2Na-H"	44.97116
"632823"	320.97986	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2Na-H"	44.97116
"1135236"	136.97406	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2Na-H"	44.97116
"177797"	114.992118	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2Na"	45.978436
"614195"	160.993568	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2Na"	45.978436
"1117216"	68.990668	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2Na"	45.978436
"1405842"	46.3295373333333	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+2Na"	46.985712
"1435770"	139.015646	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+HCOOH"	47.012746
"221458"	120.02514	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+3H2O+2H"	56.04448
"1509524"	153.06769	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+IsoProp+H"	61.06479
"409121"	122.979088	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Na+K"	61.952376
"770684"	168.980538	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+Na+K"	61.952376
"1665647"	76.977638	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na+K"	61.952376
"254882"	248.021568	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+ACN+Na"	64.015768
"1240596"	156.018668	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+ACN+Na"	64.015768
"1727052"	156.042193	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+NH4+HCOOH"	64.039293
"1190583"	53.6568513333333	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+3Na"	68.967654
"1664612"	160.997588	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na+HCOOH"	68.994688
"171230"	260.92484	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2K-H"	76.91904
"611517"	352.92774	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2K-H"	76.91904
"1098702"	168.92194	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2K-H"	76.91904
"156369"	130.966058	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2K"	77.926316
"585605"	176.967508	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2K"	77.926316
"1074490"	84.964608	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2K"	77.926316
"1109885"	170.936492	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2K+H"	78.933592
"1347365"	171.024107	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+DMSO+H"	79.021207
"1018082"	175.063276	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2ACN+H"	83.060376
"1528551"	176.056908	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+IsoProp+Na+H"	84.054008
"992813"	88.035276	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2ACN+2H"	84.067652
"1592783"	176.971528	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K+HCOOH"	84.968628
"1418444"	207.003038	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+CF3COOH"	115.000138
"1150919"	108.548551	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+3ACN+2H"	125.094202
"1697555"	224.029585	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+NH4+CF3COOH"	132.026685
"1644877"	228.98498	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na+CF3COOH"	136.98208
"1579433"	244.95892	"C06611"	"trans-3-Chloro-2-propene-1-ol;trans-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K+CF3COOH"	152.95602
"808708"	92.0029	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M"	0
"978959"	72.98451	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H2O-H"	-19.01839
"74858"	60.3279906666667	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-3H"	-3.021828
"515512"	90.995624	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-3H"	-3.021828
"890032"	29.6603573333333	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-3H"	-3.021828
"9700"	90.995624	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H"	-2.014552
"450356"	136.997074	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H"	-2.014552
"827064"	44.994174	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H"	-2.014552
"92525"	182.998524	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-H"	-1.007276
"532085"	275.001424	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-H"	-1.007276
"905518"	90.995624	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H"	-1.007276
"58799"	200.025071	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H+NH4"	16.019271
"491800"	292.027971	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H+NH4"	16.019271
"869601"	108.022171	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H+NH4"	16.019271
"34222"	204.980466	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H+Na"	20.974666
"481435"	296.983366	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H+Na"	20.974666
"860330"	112.977566	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H+Na"	20.974666
"1629862"	112.977566	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na-2H"	20.974666
"104203"	108.983963	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-H+Cl"	33.962126
"538295"	154.985413	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-H+Cl"	33.962126
"927678"	62.982513	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+Cl"	33.962126
"270366"	218.975202	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Cl"	34.969402
"660473"	310.978102	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+Cl"	34.969402
"1274215"	126.972302	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl"	34.969402
"17746"	220.954406	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M-2H+K"	36.948606
"458399"	312.957306	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M-2H+K"	36.948606
"834379"	128.951506	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-2H+K"	36.948606
"1557501"	128.951506	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K-2H"	36.948606
"943068"	137.001094	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+HCOOH"	44.998194
"369441"	229.004001	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+HCOOH-H"	44.998201
"350771"	243.019651	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Hac-H"	59.013851
"1494499"	151.016751	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Hac-H"	59.013851
"964229"	158.983051	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+NaCOOH"	66.980151
"116417"	126.972302	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2Cl"	69.938804
"556343"	172.973752	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2Cl"	69.938804
"1026234"	80.970852	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2Cl"	69.938804
"1246542"	170.921785	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Br"	78.918885
"1309723"	172.977772	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl+HCOOH"	80.974872
"1328312"	194.959729	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl+NaCOOH"	102.956829
"914997"	204.988486	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M-H+CF3COOH"	112.985586
"1289516"	240.965164	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Cl+CF3COOH"	148.962264
"1369134"	56.990224	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H-2H2O"	-35.012676
"1385900"	75.0002	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H-H2O"	-17.0027
"284132"	185.013076	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H"	1.007276
"676065"	277.015976	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H"	1.007276
"1351352"	93.010176	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H"	1.007276
"126158"	93.010176	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2H"	2.014552
"566574"	139.011626	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2H"	2.014552
"1037313"	47.008726	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2H"	2.014552
"204306"	62.3425426666667	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+3H"	3.021828
"646727"	93.010176	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+3H"	3.021828
"1162822"	31.6749093333333	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+3H"	3.021828
"425938"	202.039623	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+NH4"	18.033823
"786318"	294.042523	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+NH4"	18.033823
"1682891"	110.036723	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+NH4"	18.033823
"330443"	101.5234495	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H+NH4"	19.041099
"722987"	147.5248995	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H+NH4"	19.041099
"1477538"	55.5219995	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+NH4"	19.041099
"403027"	206.995018	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Na"	22.989218
"768782"	298.997918	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+Na"	22.989218
"1617969"	114.992118	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na"	22.989218
"329433"	104.001147	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H+Na"	23.996494
"721518"	150.002597	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H+Na"	23.996494
"1473517"	57.999697	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+Na"	23.996494
"1067123"	39.0022233333333	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2H+Na"	25.00377
"1270627"	125.036386	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+CH3OH+H"	33.033486
"391390"	222.968958	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+K"	38.963158
"750558"	314.971858	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+K"	38.963158
"1552613"	130.966058	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K"	38.963158
"311974"	111.988117	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+H+K"	39.970434
"698929"	157.989567	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+H+K"	39.970434
"1454934"	65.986667	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+K"	39.970434
"242443"	226.039626	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+ACN+H"	42.033826
"1215159"	134.036726	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+ACN+H"	42.033826
"1195883"	67.522001	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+ACN+2H"	43.041102
"197380"	228.97696	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2Na-H"	44.97116
"634026"	320.97986	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2Na-H"	44.97116
"1134616"	136.97406	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2Na-H"	44.97116
"176813"	114.992118	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2Na"	45.978436
"613570"	160.993568	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2Na"	45.978436
"1116349"	68.990668	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2Na"	45.978436
"1400849"	46.3295373333333	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+2Na"	46.985712
"1434057"	139.015646	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+HCOOH"	47.012746
"221569"	120.02514	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+3H2O+2H"	56.04448
"1509268"	153.06769	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+IsoProp+H"	61.06479
"408679"	122.979088	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+Na+K"	61.952376
"769999"	168.980538	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+Na+K"	61.952376
"1665619"	76.977638	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na+K"	61.952376
"258271"	248.021568	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+ACN+Na"	64.015768
"1239613"	156.018668	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+ACN+Na"	64.015768
"1727405"	156.042193	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+NH4+HCOOH"	64.039293
"1191786"	53.6568513333333	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+3Na"	68.967654
"1664843"	160.997588	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na+HCOOH"	68.994688
"171704"	260.92484	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2K-H"	76.91904
"611382"	352.92774	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2K-H"	76.91904
"1098081"	168.92194	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2K-H"	76.91904
"156357"	130.966058	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"2M+2K"	77.926316
"587902"	176.967508	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"3M+2K"	77.926316
"1076787"	84.964608	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2K"	77.926316
"1107808"	170.936492	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2K+H"	78.933592
"1343101"	171.024107	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+DMSO+H"	79.021207
"1016005"	175.063276	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2ACN+H"	83.060376
"1529755"	176.056908	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+IsoProp+Na+H"	84.054008
"994017"	88.035276	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+2ACN+2H"	84.067652
"1590707"	176.971528	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K+HCOOH"	84.968628
"1416367"	207.003038	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+H+CF3COOH"	115.000138
"1149936"	108.548551	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+3ACN+2H"	125.094202
"1697093"	224.029585	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+NH4+CF3COOH"	132.026685
"1641706"	228.98498	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+Na+CF3COOH"	136.98208
"1579543"	244.95892	"C06612"	"cis-3-Chloro-2-propene-1-ol;cis-3-Chloroallyl alcohol"	"C3H5ClO"	"92.0029"	"M+K+CF3COOH"	152.95602
"806632"	89.9872	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M"	0
"976883"	70.96881	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H2O-H"	-19.01839
"76061"	58.9841906666667	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-3H"	-3.021828
"514529"	88.979924	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-3H"	-3.021828
"889049"	28.9884573333333	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-3H"	-3.021828
"7623"	88.979924	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H"	-2.014552
"448279"	133.973524	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H"	-2.014552
"824987"	43.986324	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H"	-2.014552
"92635"	178.967124	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-H"	-1.007276
"531102"	268.954324	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-H"	-1.007276
"905628"	88.979924	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H"	-1.007276
"58909"	195.993671	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H+NH4"	16.019271
"491910"	285.980871	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H+NH4"	16.019271
"868618"	106.006471	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H+NH4"	16.019271
"34332"	200.949066	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H+Na"	20.974666
"480452"	290.936266	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H+Na"	20.974666
"858254"	110.961866	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H+Na"	20.974666
"1628879"	110.961866	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na-2H"	20.974666
"103220"	106.968263	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-H+Cl"	33.962126
"538405"	151.961863	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-H+Cl"	33.962126
"927707"	61.974663	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+Cl"	33.962126
"268289"	214.943802	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Cl"	34.969402
"660259"	304.931002	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+Cl"	34.969402
"1274204"	124.956602	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl"	34.969402
"18949"	216.923006	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H+K"	36.948606
"457416"	306.910206	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H+K"	36.948606
"836311"	126.935806	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H+K"	36.948606
"1558704"	126.935806	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K-2H"	36.948606
"943138"	134.985394	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+HCOOH"	44.998194
"369187"	224.972601	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+HCOOH-H"	44.998201
"350152"	238.988251	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Hac-H"	59.013851
"1494609"	149.001051	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Hac-H"	59.013851
"964339"	156.967351	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+NaCOOH"	66.980151
"116163"	124.956602	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2Cl"	69.938804
"557183"	169.950202	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2Cl"	69.938804
"1025980"	79.963002	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2Cl"	69.938804
"1247017"	168.906085	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Br"	78.918885
"1312020"	170.962072	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl+HCOOH"	80.974872
"1327329"	192.944029	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl+NaCOOH"	102.956829
"914741"	202.972786	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+CF3COOH"	112.985586
"1291448"	238.949464	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl+CF3COOH"	148.962264
"1368150"	54.974524	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H-2H2O"	-35.012676
"1384187"	72.9845	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H-H2O"	-17.0027
"283272"	180.981676	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H"	1.007276
"676419"	270.968876	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H"	1.007276
"1351670"	90.994476	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H"	1.007276
"127360"	90.994476	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2H"	2.014552
"566267"	135.988076	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2H"	2.014552
"1037176"	46.000876	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2H"	2.014552
"204430"	60.9987426666667	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+3H"	3.021828
"644323"	90.994476	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+3H"	3.021828
"1162811"	31.0030093333333	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+3H"	3.021828
"426048"	198.008223	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+NH4"	18.033823
"785937"	287.995423	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+NH4"	18.033823
"1681863"	108.021023	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+NH4"	18.033823
"330061"	99.5077495	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H+NH4"	19.041099
"722847"	144.5013495	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H+NH4"	19.041099
"1477404"	54.5141495	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+NH4"	19.041099
"403137"	202.963618	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Na"	22.989218
"769849"	292.950818	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+Na"	22.989218
"1618075"	112.976418	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na"	22.989218
"329956"	101.985447	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H+Na"	23.996494
"721262"	146.979047	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H+Na"	23.996494
"1473991"	56.991847	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+Na"	23.996494
"1065047"	38.3303233333333	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2H+Na"	25.00377
"1271101"	123.020686	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+CH3OH+H"	33.033486
"391135"	218.937558	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+K"	38.963158
"748482"	308.924758	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+K"	38.963158
"1551630"	128.950358	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K"	38.963158
"311720"	109.972417	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H+K"	39.970434
"700131"	154.966017	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H+K"	39.970434
"1455044"	64.978817	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+K"	39.970434
"240367"	222.008226	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+ACN+H"	42.033826
"1210896"	132.021026	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+ACN+H"	42.033826
"1196965"	66.514151	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+ACN+2H"	43.041102
"196396"	224.94556	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2Na-H"	44.97116
"630125"	314.93276	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2Na-H"	44.97116
"1131560"	134.95836	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2Na-H"	44.97116
"175099"	112.976418	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2Na"	45.978436
"612891"	157.970018	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2Na"	45.978436
"1116705"	67.982818	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2Na"	45.978436
"1400837"	45.6576373333333	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+2Na"	46.985712
"1435990"	136.999946	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+HCOOH"	47.012746
"220169"	118.00944	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+3H2O+2H"	56.04448
"1509378"	151.05199	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+IsoProp+H"	61.06479
"408843"	120.963388	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Na+K"	61.952376
"770497"	165.956988	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+Na+K"	61.952376
"1665695"	75.969788	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na+K"	61.952376
"259474"	243.990168	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+ACN+Na"	64.015768
"1238751"	154.002968	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+ACN+Na"	64.015768
"1727636"	154.026493	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+NH4+HCOOH"	64.039293
"1193841"	52.9849513333333	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+3Na"	68.967654
"1662887"	158.981888	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na+HCOOH"	68.994688
"171932"	256.89344	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2K-H"	76.91904
"611491"	346.88064	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2K-H"	76.91904
"1092724"	166.90624	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2K-H"	76.91904
"152820"	128.950358	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2K"	77.926316
"588012"	173.943958	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2K"	77.926316
"1075804"	83.956758	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2K"	77.926316
"1107919"	168.920792	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2K+H"	78.933592
"1345398"	169.008407	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+DMSO+H"	79.021207
"1019395"	173.047576	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2ACN+H"	83.060376
"1529865"	174.041208	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+IsoProp+Na+H"	84.054008
"994127"	87.027426	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2ACN+2H"	84.067652
"1590817"	174.955828	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K+HCOOH"	84.968628
"1416477"	204.987338	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+CF3COOH"	115.000138
"1153326"	107.540701	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+3ACN+2H"	125.094202
"1700692"	222.013885	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+NH4+CF3COOH"	132.026685
"1641816"	226.96928	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na+CF3COOH"	136.98208
"1579653"	242.94322	"C06613"	"trans-3-Chloroallyl aldehyde;trans-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K+CF3COOH"	152.95602
"812209"	105.9822	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M"	0
"982461"	86.96381	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H2O-H"	-19.01839
"75079"	69.647524	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-3H"	-3.021828
"515733"	104.974924	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-3H"	-3.021828
"892440"	34.320124	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-3H"	-3.021828
"12838"	104.974924	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H"	-2.014552
"453492"	157.966024	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H"	-2.014552
"825097"	51.983824	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H"	-2.014552
"90561"	210.957124	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-H"	-1.007276
"529026"	316.939324	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-H"	-1.007276
"900273"	104.974924	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H"	-1.007276
"54648"	227.983671	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+NH4"	16.019271
"496396"	333.965871	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+NH4"	16.019271
"867636"	122.001471	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+NH4"	16.019271
"33349"	232.939066	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+Na"	20.974666
"472909"	338.921266	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+Na"	20.974666
"852897"	126.956866	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+Na"	20.974666
"1621337"	126.956866	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na-2H"	20.974666
"94459"	122.963263	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-H+Cl"	33.962126
"535357"	175.954363	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-H+Cl"	33.962126
"927899"	69.972163	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+Cl"	33.962126
"267300"	246.933802	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Cl"	34.969402
"660332"	352.916002	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Cl"	34.969402
"1275412"	140.951602	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl"	34.969402
"17966"	248.913006	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+K"	36.948606
"456675"	354.895206	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+K"	36.948606
"832973"	142.930806	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+K"	36.948606
"1557722"	142.930806	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K-2H"	36.948606
"943412"	150.980394	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+HCOOH"	44.998194
"368205"	256.962601	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+HCOOH-H"	44.998201
"349169"	270.978251	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Hac-H"	59.013851
"1495448"	164.996051	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Hac-H"	59.013851
"962992"	172.962351	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+NaCOOH"	66.980151
"116273"	140.951602	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Cl"	69.938804
"556200"	193.942702	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Cl"	69.938804
"1025726"	87.960502	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Cl"	69.938804
"1245306"	184.901085	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Br"	78.918885
"1311038"	186.957072	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+HCOOH"	80.974872
"1327803"	208.939029	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+NaCOOH"	102.956829
"914486"	218.967786	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+CF3COOH"	112.985586
"1289737"	254.944464	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+CF3COOH"	148.962264
"1367532"	70.969524	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H-2H2O"	-35.012676
"1383690"	88.9795	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H-H2O"	-17.0027
"283292"	212.971676	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H"	1.007276
"676773"	318.953876	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H"	1.007276
"1351905"	106.989476	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H"	1.007276
"127227"	106.989476	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2H"	2.014552
"566098"	159.980576	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2H"	2.014552
"1037174"	53.998376	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2H"	2.014552
"204704"	71.662076	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+3H"	3.021828
"644428"	106.989476	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+3H"	3.021828
"1163360"	36.334676	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3H"	3.021828
"424573"	229.998223	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+NH4"	18.033823
"786049"	335.980423	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+NH4"	18.033823
"1682742"	124.016023	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4"	18.033823
"330662"	115.5027495	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+NH4"	19.041099
"723447"	168.4938495	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+NH4"	19.041099
"1477473"	62.5116495	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+NH4"	19.041099
"402154"	234.953618	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Na"	22.989218
"769121"	340.935818	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Na"	22.989218
"1617579"	128.971418	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na"	22.989218
"329958"	117.980447	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+Na"	23.996494
"720766"	170.971547	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+Na"	23.996494
"1473008"	64.989347	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+Na"	23.996494
"1064064"	43.66199	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2H+Na"	25.00377
"1269024"	139.015686	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+CH3OH+H"	33.033486
"390757"	250.927558	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+K"	38.963158
"748592"	356.909758	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+K"	38.963158
"1551374"	144.945358	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K"	38.963158
"310009"	125.967417	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+K"	39.970434
"700240"	178.958517	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+K"	39.970434
"1452967"	72.976317	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+K"	39.970434
"242662"	253.998226	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+ACN+H"	42.033826
"1212465"	148.016026	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+H"	42.033826
"1194805"	74.511651	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+2H"	43.041102
"194319"	256.93556	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Na-H"	44.97116
"631695"	362.91776	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Na-H"	44.97116
"1132403"	150.95336	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Na-H"	44.97116
"173300"	128.971418	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Na"	45.978436
"613098"	181.962518	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Na"	45.978436
"1116572"	75.980318	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Na"	45.978436
"1400826"	50.989304	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+2Na"	46.985712
"1431726"	152.994946	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+HCOOH"	47.012746
"220568"	134.00444	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+3H2O+2H"	56.04448
"1508551"	167.04699	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+IsoProp+H"	61.06479
"408599"	136.958388	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Na+K"	61.952376
"770114"	189.949488	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Na+K"	61.952376
"1665608"	83.967288	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+K"	61.952376
"259584"	275.980168	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+ACN+Na"	64.015768
"1239954"	169.997968	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+Na"	64.015768
"1727992"	170.021493	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4+HCOOH"	64.039293
"1193709"	58.316618	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3Na"	68.967654
"1661903"	174.976888	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+HCOOH"	68.994688
"171680"	288.88344	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2K-H"	76.91904
"611480"	394.86564	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2K-H"	76.91904
"1097207"	182.90124	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K-H"	76.91904
"149649"	144.945358	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2K"	77.926316
"593590"	197.936458	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2K"	77.926316
"1075915"	91.954258	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K"	77.926316
"1112042"	184.915792	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K+H"	78.933592
"1343322"	185.003407	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+DMSO+H"	79.021207
"1011853"	189.042576	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2ACN+H"	83.060376
"1528884"	190.036208	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+IsoProp+Na+H"	84.054008
"990144"	95.024926	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2ACN+2H"	84.067652
"1589835"	190.950828	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K+HCOOH"	84.968628
"1418774"	220.982338	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+CF3COOH"	115.000138
"1147198"	115.538201	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3ACN+2H"	125.094202
"1701899"	238.008885	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4+CF3COOH"	132.026685
"1638644"	242.96428	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+CF3COOH"	136.98208
"1571619"	258.93822	"C06614"	"trans-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K+CF3COOH"	152.95602
"813413"	105.9822	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M"	0
"982573"	86.96381	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H2O-H"	-19.01839
"73003"	69.647524	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-3H"	-3.021828
"513657"	104.974924	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-3H"	-3.021828
"892551"	34.320124	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-3H"	-3.021828
"12948"	104.974924	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H"	-2.014552
"450686"	157.966024	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H"	-2.014552
"825207"	51.983824	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H"	-2.014552
"90307"	210.957124	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-H"	-1.007276
"529866"	316.939324	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-H"	-1.007276
"898560"	104.974924	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H"	-1.007276
"55852"	227.983671	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+NH4"	16.019271
"492132"	333.965871	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+NH4"	16.019271
"867746"	122.001471	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+NH4"	16.019271
"33459"	232.939066	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+Na"	20.974666
"471800"	338.921266	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+Na"	20.974666
"854101"	126.956866	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+Na"	20.974666
"1620354"	126.956866	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na-2H"	20.974666
"101256"	122.963263	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-H+Cl"	33.962126
"539721"	175.954363	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-H+Cl"	33.962126
"931048"	69.972163	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+Cl"	33.962126
"271788"	246.933802	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Cl"	34.969402
"665305"	352.916002	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Cl"	34.969402
"1276612"	140.951602	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl"	34.969402
"23544"	248.913006	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+K"	36.948606
"458730"	354.895206	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+K"	36.948606
"834344"	142.930806	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+K"	36.948606
"1561112"	142.930806	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K-2H"	36.948606
"943644"	150.980394	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+HCOOH"	44.998194
"372688"	256.962601	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+HCOOH-H"	44.998201
"351830"	270.978251	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Hac-H"	59.013851
"1497382"	164.996051	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Hac-H"	59.013851
"963466"	172.962351	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+NaCOOH"	66.980151
"114561"	140.951602	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Cl"	69.938804
"554850"	193.942702	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Cl"	69.938804
"1023282"	87.960502	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Cl"	69.938804
"1244320"	184.901085	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Br"	78.918885
"1309687"	186.957072	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+HCOOH"	80.974872
"1322807"	208.939029	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+NaCOOH"	102.956829
"914959"	218.967786	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+CF3COOH"	112.985586
"1290941"	254.944464	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+CF3COOH"	148.962264
"1369101"	70.969524	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H-2H2O"	-35.012676
"1384772"	88.9795	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H-H2O"	-17.0027
"282998"	212.971676	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H"	1.007276
"677248"	318.953876	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H"	1.007276
"1351530"	106.989476	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H"	1.007276
"126483"	106.989476	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2H"	2.014552
"567149"	159.980576	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2H"	2.014552
"1038860"	53.998376	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2H"	2.014552
"205305"	71.662076	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+3H"	3.021828
"644863"	106.989476	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+3H"	3.021828
"1164083"	36.334676	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3H"	3.021828
"425412"	229.998223	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+NH4"	18.033823
"786651"	335.980423	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+NH4"	18.033823
"1683219"	124.016023	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4"	18.033823
"331138"	115.5027495	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+NH4"	19.041099
"723311"	168.4938495	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+NH4"	19.041099
"1477499"	62.5116495	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+NH4"	19.041099
"394609"	234.953618	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Na"	22.989218
"769108"	340.935818	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Na"	22.989218
"1617450"	128.971418	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na"	22.989218
"328827"	117.980447	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+Na"	23.996494
"718203"	170.971547	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+Na"	23.996494
"1473118"	64.989347	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+Na"	23.996494
"1061988"	43.66199	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2H+Na"	25.00377
"1270958"	139.015686	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+CH3OH+H"	33.033486
"390870"	250.927558	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+K"	38.963158
"751984"	356.909758	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+K"	38.963158
"1553673"	144.945358	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K"	38.963158
"310848"	125.967417	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+K"	39.970434
"701445"	178.958517	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+K"	39.970434
"1457452"	72.976317	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+K"	39.970434
"246054"	253.998226	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+ACN+H"	42.033826
"1211482"	148.016026	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+H"	42.033826
"1194552"	74.511651	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+2H"	43.041102
"194430"	256.93556	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Na-H"	44.97116
"631803"	362.91776	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Na-H"	44.97116
"1136400"	150.95336	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Na-H"	44.97116
"175320"	128.971418	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Na"	45.978436
"615972"	181.962518	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Na"	45.978436
"1120572"	75.980318	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Na"	45.978436
"1404095"	50.989304	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+2Na"	46.985712
"1438397"	152.994946	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+HCOOH"	47.012746
"220801"	134.00444	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+3H2O+2H"	56.04448
"1508984"	167.04699	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+IsoProp+H"	61.06479
"408545"	136.958388	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Na+K"	61.952376
"770634"	189.949488	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Na+K"	61.952376
"1666115"	83.967288	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+K"	61.952376
"259694"	275.980168	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+ACN+Na"	64.015768
"1240308"	169.997968	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+Na"	64.015768
"1726037"	170.021493	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4+HCOOH"	64.039293
"1192120"	58.316618	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3Na"	68.967654
"1662010"	174.976888	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+HCOOH"	68.994688
"167777"	288.88344	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2K-H"	76.91904
"610983"	394.86564	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2K-H"	76.91904
"1098048"	182.90124	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K-H"	76.91904
"153039"	144.945358	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2K"	77.926316
"591509"	197.936458	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2K"	77.926316
"1074932"	91.954258	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K"	77.926316
"1110328"	184.915792	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K+H"	78.933592
"1341244"	185.003407	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+DMSO+H"	79.021207
"1009774"	189.042576	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2ACN+H"	83.060376
"1524984"	190.036208	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+IsoProp+Na+H"	84.054008
"990335"	95.024926	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2ACN+2H"	84.067652
"1587431"	190.950828	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K+HCOOH"	84.968628
"1417791"	220.982338	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+CF3COOH"	115.000138
"1148810"	115.538201	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3ACN+2H"	125.094202
"1699093"	238.008885	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4+CF3COOH"	132.026685
"1645316"	242.96428	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+CF3COOH"	136.98208
"1579873"	258.93822	"C06615"	"cis-3-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K+CF3COOH"	152.95602
"813523"	719.4456	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M"	0
"989367"	700.42721	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-H2O-H"	-19.01839
"77123"	478.623124	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M-3H"	-3.021828
"513769"	718.438324	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M-3H"	-3.021828
"891568"	238.807924	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-3H"	-3.021828
"11965"	718.438324	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M-2H"	-2.014552
"449702"	1078.161124	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M-2H"	-2.014552
"826410"	358.715524	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-2H"	-2.014552
"92242"	1437.883924	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M-H"	-1.007276
"528154"	2157.329524	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M-H"	-1.007276
"903773"	718.438324	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-H"	-1.007276
"57056"	1454.910471	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M-2H+NH4"	16.019271
"493336"	2174.356071	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M-2H+NH4"	16.019271
"870043"	735.464871	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-2H+NH4"	16.019271
"40131"	1459.865866	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M-2H+Na"	20.974666
"477503"	2179.311466	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M-2H+Na"	20.974666
"857493"	740.420266	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-2H+Na"	20.974666
"1619735"	740.420266	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Na-2H"	20.974666
"103554"	736.426663	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M-H+Cl"	33.962126
"542018"	1096.149463	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M-H+Cl"	33.962126
"933345"	376.703863	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-H+Cl"	33.962126
"268620"	1473.860602	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+Cl"	34.969402
"663229"	2193.306202	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+Cl"	34.969402
"1274658"	754.415002	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Cl"	34.969402
"19281"	1475.839806	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M-2H+K"	36.948606
"458112"	2195.285406	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M-2H+K"	36.948606
"834575"	756.394206	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-2H+K"	36.948606
"1557573"	756.394206	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+K-2H"	36.948606
"944361"	764.443794	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-H+HCOOH"	44.998194
"373527"	1483.889401	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+HCOOH-H"	44.998201
"353763"	1497.905051	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+Hac-H"	59.013851
"1496399"	778.459451	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Hac-H"	59.013851
"962483"	786.425751	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-H+NaCOOH"	66.980151
"113578"	754.415002	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+2Cl"	69.938804
"554232"	1114.137802	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+2Cl"	69.938804
"1025582"	394.692202	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2Cl"	69.938804
"1246254"	798.364485	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Br"	78.918885
"1309069"	800.420472	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Cl+HCOOH"	80.974872
"1322917"	822.402429	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Cl+NaCOOH"	102.956829
"915432"	832.431186	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M-H+CF3COOH"	112.985586
"1291051"	868.407864	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Cl+CF3COOH"	148.962264
"1369210"	684.432924	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H-2H2O"	-35.012676
"1384153"	702.4429	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H-H2O"	-17.0027
"283472"	1439.898476	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+H"	1.007276
"676630"	2159.344076	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+H"	1.007276
"1351680"	720.452876	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H"	1.007276
"126593"	720.452876	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+2H"	2.014552
"567259"	1080.175676	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+2H"	2.014552
"1038728"	360.730076	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2H"	2.014552
"205535"	480.637676	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+3H"	3.021828
"644976"	720.452876	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+3H"	3.021828
"1163463"	240.822476	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+3H"	3.021828
"424507"	1456.925023	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+NH4"	18.033823
"786754"	2176.370623	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+NH4"	18.033823
"1681993"	737.479423	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+NH4"	18.033823
"330641"	728.9661495	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+H+NH4"	19.041099
"724026"	1088.6889495	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+H+NH4"	19.041099
"1477366"	369.2433495	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H+NH4"	19.041099
"393990"	1461.880418	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+Na"	22.989218
"768853"	2181.326018	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+Na"	22.989218
"1617684"	742.434818	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Na"	22.989218
"329418"	731.443847	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+H+Na"	23.996494
"719407"	1091.166647	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+H+Na"	23.996494
"1476754"	371.721047	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H+Na"	23.996494
"1061005"	248.14979	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2H+Na"	25.00377
"1269245"	752.479086	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+CH3OH+H"	33.033486
"391352"	1477.854358	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+K"	38.963158
"751001"	2197.299958	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+K"	38.963158
"1555008"	758.408758	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+K"	38.963158
"312781"	739.430817	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+H+K"	39.970434
"700462"	1099.153617	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+H+K"	39.970434
"1458294"	379.708017	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H+K"	39.970434
"246165"	1480.925026	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+ACN+H"	42.033826
"1211592"	761.479426	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+ACN+H"	42.033826
"1195474"	381.243351	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+ACN+2H"	43.041102
"195634"	1483.86236	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+2Na-H"	44.97116
"631914"	2203.30796	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+2Na-H"	44.97116
"1133353"	764.41676	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2Na-H"	44.97116
"173482"	742.434818	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+2Na"	45.978436
"613895"	1102.157618	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+2Na"	45.978436
"1120681"	382.712018	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2Na"	45.978436
"1405298"	255.477104	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H+2Na"	46.985712
"1436321"	766.458346	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H+HCOOH"	47.012746
"220495"	747.46784	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+3H2O+2H"	56.04448
"1509213"	780.51039	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+IsoProp+H"	61.06479
"409385"	750.421788	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+Na+K"	61.952376
"770743"	1110.144588	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+Na+K"	61.952376
"1665983"	390.698988	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Na+K"	61.952376
"253244"	1502.906968	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+ACN+Na"	64.015768
"1240173"	783.461368	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+ACN+Na"	64.015768
"1727239"	783.484893	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+NH4+HCOOH"	64.039293
"1188947"	262.804418	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+3Na"	68.967654
"1663216"	788.440288	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Na+HCOOH"	68.994688
"171533"	1515.81024	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+2K-H"	76.91904
"608541"	2235.25584	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+2K-H"	76.91904
"1098520"	796.36464	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2K-H"	76.91904
"149869"	758.408758	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"2M+2K"	77.926316
"594537"	1118.131558	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"3M+2K"	77.926316
"1075040"	398.685958	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2K"	77.926316
"1111897"	798.379192	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2K+H"	78.933592
"1342448"	798.466807	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+DMSO+H"	79.021207
"1012071"	802.505976	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2ACN+H"	83.060376
"1531290"	803.499608	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+IsoProp+Na+H"	84.054008
"995552"	401.756626	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+2ACN+2H"	84.067652
"1594427"	804.414228	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+K+HCOOH"	84.968628
"1420088"	834.445738	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+H+CF3COOH"	115.000138
"1147705"	422.269901	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+3ACN+2H"	125.094202
"1704306"	851.472285	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+NH4+CF3COOH"	132.026685
"1647614"	856.42768	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+Na+CF3COOH"	136.98208
"1579983"	872.40162	"C06616"	"Erythromycin C"	"C36H65NO13"	"719.4456"	"M+K+CF3COOH"	152.95602
"813633"	528.0546	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M"	0
"986073"	509.03621	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H2O-H"	-19.01839
"73223"	351.029124	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-3H"	-3.021828
"517158"	527.047324	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-3H"	-3.021828
"891678"	175.010924	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-3H"	-3.021828
"10251"	527.047324	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H"	-2.014552
"449811"	791.074624	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H"	-2.014552
"824333"	263.020024	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H"	-2.014552
"85424"	1055.101924	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-H"	-1.007276
"520609"	1583.156524	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-H"	-1.007276
"898416"	527.047324	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H"	-1.007276
"51697"	1072.128471	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+NH4"	16.019271
"489312"	1600.183071	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+NH4"	16.019271
"867966"	544.073871	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H+NH4"	16.019271
"34408"	1077.083866	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+Na"	20.974666
"472874"	1605.138466	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+Na"	20.974666
"856509"	549.029266	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H+Na"	20.974666
"1621668"	549.029266	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na-2H"	20.974666
"101476"	545.035663	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-H+Cl"	33.962126
"537754"	809.062963	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-H+Cl"	33.962126
"930175"	281.008363	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+Cl"	33.962126
"269332"	1091.078602	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Cl"	34.969402
"662365"	1619.133202	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+Cl"	34.969402
"1275495"	563.024002	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl"	34.969402
"17687"	1093.057806	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+K"	36.948606
"458222"	1621.112406	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+K"	36.948606
"836020"	565.003206	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H+K"	36.948606
"1555773"	565.003206	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K-2H"	36.948606
"942869"	573.052794	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+HCOOH"	44.998194
"372545"	1101.107401	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+HCOOH-H"	44.998201
"353509"	1115.123051	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Hac-H"	59.013851
"1496144"	587.068451	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Hac-H"	59.013851
"961133"	595.034751	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+NaCOOH"	66.980151
"114052"	563.024002	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2Cl"	69.938804
"554706"	827.051302	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2Cl"	69.938804
"1026420"	298.996702	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2Cl"	69.938804
"1246728"	606.973485	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Br"	78.918885
"1308448"	609.029472	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+HCOOH"	80.974872
"1325582"	631.011429	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+NaCOOH"	102.956829
"914088"	641.040186	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+CF3COOH"	112.985586
"1292621"	677.016864	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+CF3COOH"	148.962264
"1369685"	493.041924	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H-2H2O"	-35.012676
"1385358"	511.0519	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H-H2O"	-17.0027
"285044"	1057.116476	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H"	1.007276
"678560"	1585.171076	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H"	1.007276
"1352839"	529.061876	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H"	1.007276
"127795"	529.061876	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2H"	2.014552
"565784"	793.089176	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2H"	2.014552
"1038225"	265.034576	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2H"	2.014552
"206984"	353.043676	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+3H"	3.021828
"645208"	529.061876	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+3H"	3.021828
"1164177"	177.025476	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+3H"	3.021828
"425024"	1074.143023	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+NH4"	18.033823
"785783"	1602.197623	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+NH4"	18.033823
"1681463"	546.088423	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+NH4"	18.033823
"330993"	537.5751495	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H+NH4"	19.041099
"724871"	801.6024495	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H+NH4"	19.041099
"1477967"	273.5478495	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+NH4"	19.041099
"393613"	1079.098418	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Na"	22.989218
"769329"	1607.153018	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+Na"	22.989218
"1618270"	551.043818	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na"	22.989218
"329858"	540.052847	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H+Na"	23.996494
"722557"	804.080147	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H+Na"	23.996494
"1472244"	276.025547	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+Na"	23.996494
"1062209"	184.35279	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2H+Na"	25.00377
"1264980"	561.088086	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+CH3OH+H"	33.033486
"392468"	1095.072358	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+K"	38.963158
"751111"	1623.126958	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+K"	38.963158
"1553164"	567.017758	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K"	38.963158
"310338"	548.039817	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H+K"	39.970434
"701665"	812.067117	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H+K"	39.970434
"1455486"	284.012517	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+K"	39.970434
"246275"	1098.143026	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+H"	42.033826
"1216806"	570.088426	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+H"	42.033826
"1198501"	285.547851	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+2H"	43.041102
"200848"	1101.08036	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na-H"	44.97116
"632024"	1629.13496	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na-H"	44.97116
"1133464"	573.02576	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2Na-H"	44.97116
"173957"	551.043818	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na"	45.978436
"614006"	815.071118	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na"	45.978436
"1118239"	287.016518	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2Na"	45.978436
"1403222"	191.680104	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+2Na"	46.985712
"1439711"	575.067346	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+HCOOH"	47.012746
"221017"	556.07684	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+3H2O+2H"	56.04448
"1509082"	589.11939	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+H"	61.06479
"409374"	559.030788	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Na+K"	61.952376
"771463"	823.058088	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+Na+K"	61.952376
"1667428"	295.003488	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na+K"	61.952376
"253475"	1120.124968	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+Na"	64.015768
"1238096"	592.070368	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+Na"	64.015768
"1725889"	592.093893	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+HCOOH"	64.039293
"1192335"	199.007418	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+3Na"	68.967654
"1663327"	597.049288	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na+HCOOH"	68.994688
"171522"	1133.02824	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2K-H"	76.91904
"610838"	1661.08284	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2K-H"	76.91904
"1097537"	604.97364	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2K-H"	76.91904
"147791"	567.017758	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2K"	77.926316
"590634"	831.045058	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2K"	77.926316
"1074056"	302.990458	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2K"	77.926316
"1109455"	606.988192	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2K+H"	78.933592
"1340371"	607.075807	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+DMSO+H"	79.021207
"1013274"	611.114976	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+H"	83.060376
"1530306"	612.108608	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+Na+H"	84.054008
"996754"	306.061126	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+2H"	84.067652
"1595631"	613.023228	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K+HCOOH"	84.968628
"1415824"	643.054738	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+CF3COOH"	115.000138
"1149395"	326.574401	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+3ACN+2H"	125.094202
"1704416"	660.081285	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+CF3COOH"	132.026685
"1647360"	665.03668	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na+CF3COOH"	136.98208
"1580093"	681.01062	"C06620"	"dTDP-34-dioxo-26-dideoxy-D-glucose;dTDP-34-didehydro-26-dideoxy-alpha-D-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K+CF3COOH"	152.95602
"810462"	530.0703	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M"	0
"983993"	511.05191	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-H2O-H"	-19.01839
"72239"	352.372924	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M-3H"	-3.021828
"517994"	529.063024	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M-3H"	-3.021828
"888506"	175.682824	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-3H"	-3.021828
"7081"	529.063024	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H"	-2.014552
"446641"	794.098174	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H"	-2.014552
"824443"	264.027874	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H"	-2.014552
"89908"	1059.133324	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M-H"	-1.007276
"528374"	1589.203624	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M-H"	-1.007276
"897554"	529.063024	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-H"	-1.007276
"52901"	1076.159871	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+NH4"	16.019271
"490274"	1606.230171	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+NH4"	16.019271
"868076"	546.089571	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H+NH4"	16.019271
"31717"	1081.115266	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+Na"	20.974666
"472496"	1611.185566	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+Na"	20.974666
"855525"	551.044966	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H+Na"	20.974666
"1625059"	551.044966	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na-2H"	20.974666
"100493"	547.051363	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M-H+Cl"	33.962126
"535798"	812.086513	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M-H+Cl"	33.962126
"928341"	282.016213	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+Cl"	33.962126
"268227"	1095.110002	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Cl"	34.969402
"660896"	1625.180302	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+Cl"	34.969402
"1274270"	565.039702	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl"	34.969402
"17315"	1097.089206	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+K"	36.948606
"456995"	1627.159506	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+K"	36.948606
"833578"	567.018906	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H+K"	36.948606
"1555659"	567.018906	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+K-2H"	36.948606
"943076"	575.068494	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+HCOOH"	44.998194
"371561"	1105.138801	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+HCOOH-H"	44.998201
"351067"	1119.154451	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Hac-H"	59.013851
"1496618"	589.084151	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Hac-H"	59.013851
"960879"	597.050451	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+NaCOOH"	66.980151
"114526"	565.039702	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2Cl"	69.938804
"555182"	830.074852	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2Cl"	69.938804
"1024708"	300.004552	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2Cl"	69.938804
"1244286"	608.989185	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Br"	78.918885
"1307830"	611.045172	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+HCOOH"	80.974872
"1325692"	633.027129	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+NaCOOH"	102.956829
"920032"	643.055886	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+CF3COOH"	112.985586
"1292367"	679.032564	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+CF3COOH"	148.962264
"1369068"	495.057624	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H-2H2O"	-35.012676
"1388024"	513.0676	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H-H2O"	-17.0027
"288803"	1061.147876	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H"	1.007276
"683413"	1591.218176	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H"	1.007276
"1356479"	531.077576	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H"	1.007276
"130825"	531.077576	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2H"	2.014552
"569657"	796.112726	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2H"	2.014552
"1038097"	266.042426	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2H"	2.014552
"206000"	354.387476	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+3H"	3.021828
"646290"	531.077576	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+3H"	3.021828
"1162841"	177.697376	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+3H"	3.021828
"424891"	1078.174423	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+NH4"	18.033823
"785677"	1608.244723	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+NH4"	18.033823
"1681444"	548.104123	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+NH4"	18.033823
"331834"	539.5908495	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H+NH4"	19.041099
"727169"	804.6259995	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H+NH4"	19.041099
"1477127"	274.5556995	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+NH4"	19.041099
"394088"	1083.129818	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Na"	22.989218
"767618"	1613.200118	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+Na"	22.989218
"1616443"	553.059518	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na"	22.989218
"327937"	542.068547	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H+Na"	23.996494
"721451"	807.103697	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H+Na"	23.996494
"1474541"	277.033397	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+Na"	23.996494
"1062319"	185.02469	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2H+Na"	25.00377
"1266183"	563.103786	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+CH3OH+H"	33.033486
"391686"	1099.103758	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+K"	38.963158
"749035"	1629.174058	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+K"	38.963158
"1551818"	569.033458	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+K"	38.963158
"309355"	550.055517	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H+K"	39.970434
"701776"	815.090667	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H+K"	39.970434
"1457782"	285.020367	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+K"	39.970434
"247477"	1102.174426	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+H"	42.033826
"1220194"	572.104126	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+H"	42.033826
"1198611"	286.555701	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+2H"	43.041102
"196948"	1105.11176	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na-H"	44.97116
"634320"	1635.18206	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na-H"	44.97116
"1135275"	575.04146	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2Na-H"	44.97116
"175041"	553.059518	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na"	45.978436
"615210"	818.094668	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na"	45.978436
"1120904"	288.024368	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2Na"	45.978436
"1407707"	192.352004	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+2Na"	46.985712
"1438729"	577.083046	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+HCOOH"	47.012746
"221859"	558.09254	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+3H2O+2H"	56.04448
"1509560"	591.13509	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+H"	61.06479
"412161"	561.046488	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Na+K"	61.952376
"771332"	826.081638	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+Na+K"	61.952376
"1668029"	296.011338	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na+K"	61.952376
"252124"	1124.156368	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+Na"	64.015768
"1233831"	594.086068	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+Na"	64.015768
"1724905"	594.109593	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+HCOOH"	64.039293
"1192445"	199.679318	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+3Na"	68.967654
"1662340"	599.064988	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na+HCOOH"	68.994688
"171024"	1137.05964	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2K-H"	76.91904
"611558"	1667.12994	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2K-H"	76.91904
"1093273"	606.98934	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2K-H"	76.91904
"147901"	569.033458	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2K"	77.926316
"591838"	834.068608	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2K"	77.926316
"1079632"	303.998308	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2K"	77.926316
"1109565"	609.003892	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2K+H"	78.933592
"1341574"	609.091507	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+DMSO+H"	79.021207
"1013384"	613.130676	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+H"	83.060376
"1528229"	614.124308	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+Na+H"	84.054008
"995771"	307.068976	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+2H"	84.067652
"1596834"	615.038928	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+K+HCOOH"	84.968628
"1422494"	645.070438	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+CF3COOH"	115.000138
"1150600"	327.582251	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+3ACN+2H"	125.094202
"1707807"	662.096985	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+CF3COOH"	132.026685
"1645646"	667.05238	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na+CF3COOH"	136.98208
"1580203"	683.02632	"C06622"	"dTDP-4-oxo-26-dideoxy-L-allose"	"C16H24N2O14P2"	"530.0703"	"M+K+CF3COOH"	152.95602
"809479"	460.1482	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M"	0
"980823"	441.12981	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-H2O-H"	-19.01839
"73442"	305.758190666667	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M-3H"	-3.021828
"517498"	459.140924	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M-3H"	-3.021828
"888616"	152.375457333333	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-3H"	-3.021828
"6098"	459.140924	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M-2H"	-2.014552
"445657"	689.215024	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M-2H"	-2.014552
"824553"	229.066824	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-2H"	-2.014552
"88925"	919.289124	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M-H"	-1.007276
"526297"	1379.437324	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M-H"	-1.007276
"898634"	459.140924	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-H"	-1.007276
"51916"	936.315671	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M-2H+NH4"	16.019271
"489291"	1396.463871	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M-2H+NH4"	16.019271
"864233"	476.167471	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-2H+NH4"	16.019271
"31599"	941.271066	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M-2H+Na"	20.974666
"471584"	1401.419266	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M-2H+Na"	20.974666
"854541"	481.122866	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-2H+Na"	20.974666
"1620793"	481.122866	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Na-2H"	20.974666
"94566"	477.129263	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M-H+Cl"	33.962126
"534691"	707.203363	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M-H+Cl"	33.962126
"927720"	247.055163	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-H+Cl"	33.962126
"267399"	955.265802	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+Cl"	34.969402
"661371"	1415.414002	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+Cl"	34.969402
"1274136"	495.117602	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Cl"	34.969402
"17425"	957.245006	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M-2H+K"	36.948606
"457349"	1417.393206	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M-2H+K"	36.948606
"833445"	497.096806	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-2H+K"	36.948606
"1555796"	497.096806	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+K-2H"	36.948606
"942824"	505.146394	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-H+HCOOH"	44.998194
"369849"	965.294601	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+HCOOH-H"	44.998201
"350448"	979.310251	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+Hac-H"	59.013851
"1496000"	519.162051	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Hac-H"	59.013851
"959896"	527.128351	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-H+NaCOOH"	66.980151
"114636"	495.117602	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+2Cl"	69.938804
"554926"	725.191702	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+2Cl"	69.938804
"1024818"	265.043502	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2Cl"	69.938804
"1244396"	539.067085	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Br"	78.918885
"1307575"	541.123072	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Cl+HCOOH"	80.974872
"1325802"	563.105029	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Cl+NaCOOH"	102.956829
"921235"	573.133786	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M-H+CF3COOH"	112.985586
"1295757"	609.110464	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Cl+CF3COOH"	148.962264
"1371732"	425.135524	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H-2H2O"	-35.012676
"1389228"	443.1455	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H-H2O"	-17.0027
"290007"	921.303676	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+H"	1.007276
"682430"	1381.451876	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+H"	1.007276
"1355496"	461.155476	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H"	1.007276
"132758"	461.155476	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+2H"	2.014552
"567946"	691.229576	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+2H"	2.014552
"1040031"	231.081376	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2H"	2.014552
"206231"	307.772742666667	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+3H"	3.021828
"646400"	461.155476	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+3H"	3.021828
"1162773"	154.390009333333	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+3H"	3.021828
"424758"	938.330223	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+NH4"	18.033823
"785695"	1398.478423	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+NH4"	18.033823
"1681335"	478.182023	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+NH4"	18.033823
"331579"	469.6687495	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+H+NH4"	19.041099
"726915"	699.7428495	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+H+NH4"	19.041099
"1477498"	239.5946495	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H+NH4"	19.041099
"393954"	943.285618	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+Na"	22.989218
"766996"	1403.433818	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+Na"	22.989218
"1616187"	483.137418	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Na"	22.989218
"328046"	472.146447	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+H+Na"	23.996494
"721803"	702.220547	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+H+Na"	23.996494
"1470272"	242.072347	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H+Na"	23.996494
"1061334"	161.717323333333	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2H+Na"	25.00377
"1265200"	493.181686	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+CH3OH+H"	33.033486
"387056"	959.259558	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+K"	38.963158
"748051"	1419.407758	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+K"	38.963158
"1553751"	499.111358	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+K"	38.963158
"308372"	480.133417	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+H+K"	39.970434
"700791"	710.207517	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+H+K"	39.970434
"1457892"	250.059317	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H+K"	39.970434
"246493"	962.330226	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+ACN+H"	42.033826
"1217024"	502.182026	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+ACN+H"	42.033826
"1196534"	251.594651	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+ACN+2H"	43.041102
"197058"	965.26756	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+2Na-H"	44.97116
"634430"	1425.41576	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+2Na-H"	44.97116
"1135020"	505.11936	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2Na-H"	44.97116
"175029"	483.137418	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+2Na"	45.978436
"616777"	713.211518	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+2Na"	45.978436
"1120283"	253.063318	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2Na"	45.978436
"1405264"	169.044637333333	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H+2Na"	46.985712
"1441026"	507.160946	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H+HCOOH"	47.012746
"219984"	488.17044	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+3H2O+2H"	56.04448
"1509669"	521.21299	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+IsoProp+H"	61.06479
"408990"	491.124388	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+Na+K"	61.952376
"771443"	721.198488	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+Na+K"	61.952376
"1665949"	261.050288	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Na+K"	61.952376
"252477"	984.312168	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+ACN+Na"	64.015768
"1231754"	524.163968	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+ACN+Na"	64.015768
"1726108"	524.187493	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+NH4+HCOOH"	64.039293
"1192555"	176.371951333333	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+3Na"	68.967654
"1660262"	529.142888	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Na+HCOOH"	68.994688
"172228"	997.21544	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+2K-H"	76.91904
"607777"	1457.36364	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+2K-H"	76.91904
"1089010"	537.06724	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2K-H"	76.91904
"146918"	499.111358	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"2M+2K"	77.926316
"589761"	729.185458	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"3M+2K"	77.926316
"1079742"	269.037258	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2K"	77.926316
"1105297"	539.081792	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2K+H"	78.933592
"1344964"	539.169407	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+DMSO+H"	79.021207
"1010214"	543.208576	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2ACN+H"	83.060376
"1525301"	544.202208	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+IsoProp+Na+H"	84.054008
"995881"	272.107926	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+2ACN+2H"	84.067652
"1591477"	545.116828	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+K+HCOOH"	84.968628
"1420416"	575.148338	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+H+CF3COOH"	115.000138
"1151803"	292.621201	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+3ACN+2H"	125.094202
"1707917"	592.174885	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+NH4+CF3COOH"	132.026685
"1645756"	597.13028	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+Na+CF3COOH"	136.98208
"1580313"	613.10422	"C06624"	"Oxytetracycline;Oxytetracycline anhydrous"	"C22H24N2O9"	"460.1482"	"M+K+CF3COOH"	152.95602
"810682"	852.1316	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M"	0
"978746"	833.11321	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-H2O-H"	-19.01839
"72459"	567.080457333333	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M-3H"	-3.021828
"513111"	851.124324	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M-3H"	-3.021828
"888726"	283.036590666667	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-3H"	-3.021828
"6208"	851.124324	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M-2H"	-2.014552
"445767"	1277.190124	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M-2H"	-2.014552
"823570"	425.058524	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-2H"	-2.014552
"87942"	1703.255924	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M-H"	-1.007276
"525313"	2555.387524	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M-H"	-1.007276
"898745"	851.124324	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-H"	-1.007276
"49838"	1720.282471	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M-2H+NH4"	16.019271
"489401"	2572.414071	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M-2H+NH4"	16.019271
"864888"	868.150871	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-2H+NH4"	16.019271
"31467"	1725.237866	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M-2H+Na"	20.974666
"472475"	2577.369466	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M-2H+Na"	20.974666
"850277"	873.106266	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-2H+Na"	20.974666
"1619810"	873.106266	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Na-2H"	20.974666
"96336"	869.112663	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M-H+Cl"	33.962126
"534556"	1295.178463	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M-H+Cl"	33.962126
"927259"	443.046863	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-H+Cl"	33.962126
"267223"	1739.232602	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+Cl"	34.969402
"661238"	2591.364202	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+Cl"	34.969402
"1272988"	887.101002	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Cl"	34.969402
"16236"	1741.211806	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M-2H+K"	36.948606
"457701"	2593.343406	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M-2H+K"	36.948606
"832887"	889.080206	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-2H+K"	36.948606
"1555654"	889.080206	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+K-2H"	36.948606
"943093"	897.129794	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-H+HCOOH"	44.998194
"361548"	1749.261401	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+HCOOH-H"	44.998201
"349097"	1763.277051	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+Hac-H"	59.013851
"1494283"	911.145451	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Hac-H"	59.013851
"960732"	919.111751	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-H+NaCOOH"	66.980151
"110023"	887.101002	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+2Cl"	69.938804
"551752"	1313.166802	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+2Cl"	69.938804
"1023834"	461.035202	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2Cl"	69.938804
"1243412"	931.050485	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Br"	78.918885
"1306954"	933.106472	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Cl+HCOOH"	80.974872
"1323360"	955.088429	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Cl+NaCOOH"	102.956829
"916972"	965.117186	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M-H+CF3COOH"	112.985586
"1294774"	1001.093864	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Cl+CF3COOH"	148.962264
"1369042"	817.118924	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H-2H2O"	-35.012676
"1388244"	835.1289	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H-H2O"	-17.0027
"284649"	1705.270476	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+H"	1.007276
"678894"	2557.402076	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+H"	1.007276
"1354513"	853.138876	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H"	1.007276
"126791"	853.138876	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+2H"	2.014552
"566510"	1279.204676	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+2H"	2.014552
"1042327"	427.073076	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2H"	2.014552
"209136"	569.095009333333	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+3H"	3.021828
"647603"	853.138876	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+3H"	3.021828
"1163413"	285.051142666667	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+3H"	3.021828
"424988"	1722.297023	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+NH4"	18.033823
"786221"	2574.428623	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+NH4"	18.033823
"1681825"	870.165423	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+NH4"	18.033823
"331325"	861.6521495	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+H+NH4"	19.041099
"724109"	1287.7179495	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+H+NH4"	19.041099
"1477325"	435.5863495	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H+NH4"	19.041099
"394547"	1727.252418	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+Na"	22.989218
"768678"	2579.384018	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+Na"	22.989218
"1614837"	875.120818	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Na"	22.989218
"324875"	864.129847	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+H+Na"	23.996494
"718752"	1290.195647	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+H+Na"	23.996494
"1472569"	438.064047	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H+Na"	23.996494
"1057066"	292.378456666667	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2H+Na"	25.00377
"1264215"	885.165086	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+CH3OH+H"	33.033486
"383886"	1743.226358	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+K"	38.963158
"750344"	2595.357958	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+K"	38.963158
"1548026"	891.094758	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+K"	38.963158
"309574"	872.116817	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+H+K"	39.970434
"697620"	1298.182617	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+H+K"	39.970434
"1456909"	446.051017	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H+K"	39.970434
"244416"	1746.297026	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+ACN+H"	42.033826
"1213853"	894.165426	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+ACN+H"	42.033826
"1195911"	447.586351	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+ACN+2H"	43.041102
"197895"	1749.23436	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+2Na-H"	44.97116
"636726"	2601.36596	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+2Na-H"	44.97116
"1136223"	897.10276	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2Na-H"	44.97116
"180243"	875.120818	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+2Na"	45.978436
"621989"	1301.186618	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+2Na"	45.978436
"1121485"	449.055018	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2Na"	45.978436
"1403185"	299.705770666667	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H+2Na"	46.985712
"1433479"	899.144346	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H+HCOOH"	47.012746
"220288"	880.15384	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+3H2O+2H"	56.04448
"1508686"	913.19639	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+IsoProp+H"	61.06479
"408890"	883.107788	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+Na+K"	61.952376
"770166"	1309.173588	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+Na+K"	61.952376
"1666047"	457.041988	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Na+K"	61.952376
"254045"	1768.278968	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+ACN+Na"	64.015768
"1231864"	916.147368	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+ACN+Na"	64.015768
"1726218"	916.170893	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+NH4+HCOOH"	64.039293
"1192301"	307.033084666667	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+3Na"	68.967654
"1660372"	921.126288	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Na+HCOOH"	68.994688
"170516"	1781.18224	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+2K-H"	76.91904
"607887"	2633.31384	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+2K-H"	76.91904
"1089120"	929.05064	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2K-H"	76.91904
"148121"	891.094758	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"2M+2K"	77.926316
"588777"	1317.160558	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"3M+2K"	77.926316
"1077666"	465.028958	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2K"	77.926316
"1104314"	931.065192	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2K+H"	78.933592
"1340699"	931.152807	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+DMSO+H"	79.021207
"1008137"	935.191976	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2ACN+H"	83.060376
"1524681"	936.185608	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+IsoProp+Na+H"	84.054008
"997084"	468.099626	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+2ACN+2H"	84.067652
"1589401"	937.100228	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+K+HCOOH"	84.968628
"1417246"	967.131738	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+H+CF3COOH"	115.000138
"1150820"	488.612901	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+3ACN+2H"	125.094202
"1708027"	984.158285	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+NH4+CF3COOH"	132.026685
"1645866"	989.11368	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+Na+CF3COOH"	136.98208
"1580423"	1005.08762	"C06625"	"Malonamoyl-CoA"	"C24H39N8O18P3S"	"852.1316"	"M+K+CF3COOH"	152.95602
"810792"	431.0408	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M"	0
"979949"	412.02241	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-H2O-H"	-19.01839
"72569"	286.353257333333	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M-3H"	-3.021828
"516501"	430.033524	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M-3H"	-3.021828
"891023"	142.672990666667	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-3H"	-3.021828
"8505"	430.033524	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M-2H"	-2.014552
"448064"	645.553924	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M-2H"	-2.014552
"822588"	214.513124	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-2H"	-2.014552
"86959"	861.074324	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M-H"	-1.007276
"525423"	1292.115124	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M-H"	-1.007276
"898855"	430.033524	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-H"	-1.007276
"52135"	878.100871	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M-2H+NH4"	16.019271
"493154"	1309.141671	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M-2H+NH4"	16.019271
"865001"	447.060071	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-2H+NH4"	16.019271
"31835"	883.056266	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M-2H+Na"	20.974666
"471526"	1314.097066	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M-2H+Na"	20.974666
"849169"	452.015466	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-2H+Na"	20.974666
"1621013"	452.015466	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Na-2H"	20.974666
"96447"	448.021863	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M-H+Cl"	33.962126
"534586"	663.542263	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M-H+Cl"	33.962126
"927325"	232.501463	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-H+Cl"	33.962126
"267624"	897.051002	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+Cl"	34.969402
"661593"	1328.091802	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+Cl"	34.969402
"1273260"	466.010202	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Cl"	34.969402
"16180"	899.030206	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M-2H+K"	36.948606
"457570"	1330.071006	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M-2H+K"	36.948606
"834277"	467.989406	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-2H+K"	36.948606
"1555668"	467.989406	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+K-2H"	36.948606
"943941"	476.038994	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-H+HCOOH"	44.998194
"361498"	907.079801	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+HCOOH-H"	44.998201
"348842"	921.095451	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+Hac-H"	59.013851
"1492861"	490.054651	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Hac-H"	59.013851
"961206"	498.020951	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-H+NaCOOH"	66.980151
"112301"	466.010202	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+2Cl"	69.938804
"553684"	681.530602	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+2Cl"	69.938804
"1022360"	250.489802	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2Cl"	69.938804
"1244252"	509.959685	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Br"	78.918885
"1305971"	512.015672	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Cl+HCOOH"	80.974872
"1320791"	533.997629	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Cl+NaCOOH"	102.956829
"914894"	544.026386	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M-H+CF3COOH"	112.985586
"1290873"	580.003064	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Cl+CF3COOH"	148.962264
"1369762"	396.028124	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H-2H2O"	-35.012676
"1383610"	414.0381	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H-H2O"	-17.0027
"283540"	863.088876	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+H"	1.007276
"676451"	1294.129676	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+H"	1.007276
"1351704"	432.048076	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H"	1.007276
"126170"	432.048076	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+2H"	2.014552
"566216"	647.568476	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+2H"	2.014552
"1042437"	216.527676	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2H"	2.014552
"205600"	288.367809333333	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+3H"	3.021828
"644315"	432.048076	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+3H"	3.021828
"1162954"	144.687542666667	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+3H"	3.021828
"424483"	880.115423	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+NH4"	18.033823
"785884"	1311.156223	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+NH4"	18.033823
"1681369"	449.074623	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+NH4"	18.033823
"330210"	440.5613495	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+H+NH4"	19.041099
"724950"	656.0817495	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+H+NH4"	19.041099
"1478774"	225.0409495	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H+NH4"	19.041099
"400738"	885.070818	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+Na"	22.989218
"769152"	1316.111618	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+Na"	22.989218
"1613125"	454.030018	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Na"	22.989218
"326075"	443.039047	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+H+Na"	23.996494
"718860"	658.559447	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+H+Na"	23.996494
"1472680"	227.518647	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H+Na"	23.996494
"1065562"	152.014856666667	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2H+Na"	25.00377
"1265417"	464.074286	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+CH3OH+H"	33.033486
"386179"	901.044758	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+K"	38.963158
"752885"	1332.085558	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+K"	38.963158
"1551414"	470.003958	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+K"	38.963158
"310779"	451.026017	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+H+K"	39.970434
"701011"	666.546417	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+H+K"	39.970434
"1450459"	235.505617	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H+K"	39.970434
"244527"	904.115426	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+ACN+H"	42.033826
"1213962"	473.074626	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+ACN+H"	42.033826
"1201126"	237.040951	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+ACN+2H"	43.041102
"196185"	907.05276	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+2Na-H"	44.97116
"631733"	1338.09356	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+2Na-H"	44.97116
"1136334"	476.01196	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2Na-H"	44.97116
"177071"	454.030018	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+2Na"	45.978436
"617724"	669.550418	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+2Na"	45.978436
"1120501"	238.509618	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2Na"	45.978436
"1404753"	159.342170666667	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H+2Na"	46.985712
"1430308"	478.053546	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H+HCOOH"	47.012746
"220129"	459.06304	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+3H2O+2H"	56.04448
"1508679"	492.10559	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+IsoProp+H"	61.06479
"408634"	462.016988	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+Na+K"	61.952376
"770015"	677.537388	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+Na+K"	61.952376
"1666165"	246.496588	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Na+K"	61.952376
"253791"	926.097368	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+ACN+Na"	64.015768
"1233067"	495.056568	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+ACN+Na"	64.015768
"1721953"	495.080093	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+NH4+HCOOH"	64.039293
"1189495"	166.669484666667	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+3Na"	68.967654
"1653920"	500.035488	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Na+HCOOH"	68.994688
"165156"	939.00064	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+2K-H"	76.91904
"607999"	1370.04144	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+2K-H"	76.91904
"1090323"	507.95984	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2K-H"	76.91904
"148232"	470.003958	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"2M+2K"	77.926316
"585607"	685.524358	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"3M+2K"	77.926316
"1079234"	254.483558	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2K"	77.926316
"1105517"	509.974392	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2K+H"	78.933592
"1339717"	510.062007	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+DMSO+H"	79.021207
"1006179"	514.101176	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2ACN+H"	83.060376
"1524381"	515.094808	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+IsoProp+Na+H"	84.054008
"990101"	257.554226	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+2ACN+2H"	84.067652
"1588417"	516.009428	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+K+HCOOH"	84.968628
"1415899"	546.040938	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+H+CF3COOH"	115.000138
"1155299"	278.067501	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+3ACN+2H"	125.094202
"1697560"	563.067485	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+NH4+CF3COOH"	132.026685
"1645976"	568.02288	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+Na+CF3COOH"	136.98208
"1573973"	583.99682	"C06626"	"4-Ketoanhydrochlortetracycline;4-Ketoanhydro-7-chlorotetracycline;4-Oxoanhydrochlortetracycline;4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline"	"C20H14ClNO8"	"431.0408"	"M+K+CF3COOH"	152.95602
"814912"	397.0798	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M"	0
"984434"	378.06141	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-H2O-H"	-19.01839
"72680"	263.712590666667	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M-3H"	-3.021828
"515518"	396.072524	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M-3H"	-3.021828
"890040"	131.352657333333	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-3H"	-3.021828
"11898"	396.072524	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M-2H"	-2.014552
"451459"	594.612424	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M-2H"	-2.014552
"825980"	197.532624	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-2H"	-2.014552
"90351"	793.152324	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M-H"	-1.007276
"531003"	1190.232124	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M-H"	-1.007276
"900059"	396.072524	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-H"	-1.007276
"56620"	810.178871	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M-2H+NH4"	16.019271
"492900"	1207.258671	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M-2H+NH4"	16.019271
"867784"	413.099071	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-2H+NH4"	16.019271
"33500"	815.134266	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M-2H+Na"	20.974666
"479259"	1212.214066	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M-2H+Na"	20.974666
"854143"	418.054466	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-2H+Na"	20.974666
"1621489"	418.054466	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Na-2H"	20.974666
"98747"	414.060863	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M-H+Cl"	33.962126
"540495"	612.600763	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M-H+Cl"	33.962126
"934008"	215.520963	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-H+Cl"	33.962126
"276941"	829.129002	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+Cl"	34.969402
"667903"	1226.208802	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+Cl"	34.969402
"1280669"	432.049202	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Cl"	34.969402
"25049"	831.108206	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M-2H+K"	36.948606
"463880"	1228.188006	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M-2H+K"	36.948606
"839128"	434.028406	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-2H+K"	36.948606
"1562615"	434.028406	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+K-2H"	36.948606
"948675"	442.077994	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-H+HCOOH"	44.998194
"366893"	839.157801	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+HCOOH-H"	44.998201
"349684"	853.173451	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+Hac-H"	59.013851
"1498150"	456.093651	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Hac-H"	59.013851
"964968"	464.059951	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-H+NaCOOH"	66.980151
"116063"	432.049202	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+2Cl"	69.938804
"553797"	630.589102	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+2Cl"	69.938804
"1025880"	233.509302	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2Cl"	69.938804
"1248376"	475.998685	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Br"	78.918885
"1313011"	478.054672	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Cl+HCOOH"	80.974872
"1326134"	500.036629	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Cl+NaCOOH"	102.956829
"919381"	510.065386	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M-H+CF3COOH"	112.985586
"1289891"	546.042064	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Cl+CF3COOH"	148.962264
"1368050"	362.067124	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H-2H2O"	-35.012676
"1386280"	380.0771	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H-H2O"	-17.0027
"289246"	795.166876	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+H"	1.007276
"678386"	1192.246676	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+H"	1.007276
"1352546"	398.087076	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H"	1.007276
"126895"	398.087076	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+2H"	2.014552
"566452"	596.626976	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+2H"	2.014552
"1043640"	199.547176	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2H"	2.014552
"213733"	265.727142666667	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+3H"	3.021828
"650012"	398.087076	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+3H"	3.021828
"1168139"	133.367209333333	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+3H"	3.021828
"425941"	812.193423	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+NH4"	18.033823
"786448"	1209.273223	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+NH4"	18.033823
"1681384"	415.113623	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+NH4"	18.033823
"335919"	406.6003495	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+H+NH4"	19.041099
"726154"	605.1402495	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+H+NH4"	19.041099
"1490916"	208.0604495	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H+NH4"	19.041099
"408350"	817.148818	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+Na"	22.989218
"769668"	1214.228618	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+Na"	22.989218
"1617244"	420.069018	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Na"	22.989218
"326552"	409.078047	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+H+Na"	23.996494
"718971"	607.617947	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+H+Na"	23.996494
"1475585"	210.538147	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H+Na"	23.996494
"1065672"	140.694523333333	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2H+Na"	25.00377
"1267718"	430.113286	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+CH3OH+H"	33.033486
"390667"	833.122758	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+K"	38.963158
"751662"	1230.202558	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+K"	38.963158
"1552624"	436.042958	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+K"	38.963158
"310891"	417.065017	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+H+K"	39.970434
"705498"	615.604917	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+H+K"	39.970434
"1460415"	218.525117	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H+K"	39.970434
"249014"	836.193426	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+ACN+H"	42.033826
"1214073"	439.113626	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+ACN+H"	42.033826
"1205975"	220.060451	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+ACN+2H"	43.041102
"196297"	839.13076	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+2Na-H"	44.97116
"639135"	1236.21056	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+2Na-H"	44.97116
"1139362"	442.05096	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2Na-H"	44.97116
"185932"	420.069018	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+2Na"	45.978436
"618564"	618.608918	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+2Na"	45.978436
"1124625"	221.529118	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2Na"	45.978436
"1407054"	148.021837333333	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H+2Na"	46.985712
"1434796"	444.092546	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H+HCOOH"	47.012746
"221572"	425.10204	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+3H2O+2H"	56.04448
"1508701"	458.14459	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+IsoProp+H"	61.06479
"409193"	428.055988	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+Na+K"	61.952376
"770795"	626.595888	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+Na+K"	61.952376
"1665957"	229.516088	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Na+K"	61.952376
"262653"	858.175368	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+ACN+Na"	64.015768
"1234271"	461.095568	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+ACN+Na"	64.015768
"1722063"	461.119093	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+NH4+HCOOH"	64.039293
"1189605"	155.349151333333	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+3Na"	68.967654
"1660591"	466.074488	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Na+HCOOH"	68.994688
"163452"	871.07864	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+2K-H"	76.91904
"606290"	1268.15844	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+2K-H"	76.91904
"1094811"	473.99884	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2K-H"	76.91904
"151624"	436.042958	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"2M+2K"	77.926316
"590460"	634.582858	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"3M+2K"	77.926316
"1080801"	237.503058	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2K"	77.926316
"1104536"	476.013392	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2K+H"	78.933592
"1339828"	476.101007	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+DMSO+H"	79.021207
"1011637"	480.140176	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2ACN+H"	83.060376
"1528670"	481.133808	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+IsoProp+Na+H"	84.054008
"990986"	240.573726	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+2ACN+2H"	84.067652
"1596181"	482.048428	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+K+HCOOH"	84.968628
"1420746"	512.079938	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+H+CF3COOH"	115.000138
"1156502"	261.087001	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+3ACN+2H"	125.094202
"1698760"	529.106485	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+NH4+CF3COOH"	132.026685
"1642806"	534.06188	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+Na+CF3COOH"	136.98208
"1574083"	550.03582	"C06627"	"4-Keto-anhydrotetracycline;4-Ketoanhydrotetracycline;4-Keto-ATC;4-Dedimethylamino-4-oxo-anhydrotetracycline"	"C20H15NO8"	"397.0798"	"M+K+CF3COOH"	152.95602
"813199"	381.0849	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M"	0
"984544"	362.06651	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-H2O-H"	-19.01839
"73883"	253.049324	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M-3H"	-3.021828
"516724"	380.077624	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M-3H"	-3.021828
"893433"	126.021024	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-3H"	-3.021828
"12376"	380.077624	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M-2H"	-2.014552
"453756"	570.620074	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M-2H"	-2.014552
"829370"	189.535174	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-2H"	-2.014552
"87181"	761.162524	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M-H"	-1.007276
"531116"	1142.247424	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M-H"	-1.007276
"900169"	380.077624	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-H"	-1.007276
"56729"	778.189071	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M-2H+NH4"	16.019271
"491917"	1159.273971	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M-2H+NH4"	16.019271
"874093"	397.104171	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-2H+NH4"	16.019271
"32386"	783.144466	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M-2H+Na"	20.974666
"474627"	1164.229366	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M-2H+Na"	20.974666
"854255"	402.059566	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-2H+Na"	20.974666
"1622694"	402.059566	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Na-2H"	20.974666
"102140"	398.065963	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M-H+Cl"	33.962126
"541700"	588.608413	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M-H+Cl"	33.962126
"936307"	207.523513	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-H+Cl"	33.962126
"274864"	797.139202	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+Cl"	34.969402
"670566"	1178.224102	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+Cl"	34.969402
"1282970"	416.054302	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Cl"	34.969402
"26618"	799.118406	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M-2H+K"	36.948606
"463990"	1180.203306	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M-2H+K"	36.948606
"837418"	418.033506	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-2H+K"	36.948606
"1561269"	418.033506	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+K-2H"	36.948606
"946964"	426.083094	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-H+HCOOH"	44.998194
"364089"	807.168001	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+HCOOH-H"	44.998201
"347610"	821.183651	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+Hac-H"	59.013851
"1494256"	440.098751	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Hac-H"	59.013851
"966174"	448.065051	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-H+NaCOOH"	66.980151
"113989"	416.054302	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+2Cl"	69.938804
"557923"	606.596752	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+2Cl"	69.938804
"1025627"	225.511852	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2Cl"	69.938804
"1245207"	460.003785	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Br"	78.918885
"1315310"	462.059772	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Cl+HCOOH"	80.974872
"1331348"	484.041729	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Cl+NaCOOH"	102.956829
"916210"	494.070486	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M-H+CF3COOH"	112.985586
"1290003"	530.047164	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Cl+CF3COOH"	148.962264
"1368892"	346.072224	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H-2H2O"	-35.012676
"1383470"	364.0822	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H-H2O"	-17.0027
"284250"	763.177076	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+H"	1.007276
"677402"	1144.261976	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+H"	1.007276
"1352657"	382.092176	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H"	1.007276
"126641"	382.092176	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+2H"	2.014552
"565955"	572.634626	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+2H"	2.014552
"1037304"	191.549726	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2H"	2.014552
"207282"	255.063876	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+3H"	3.021828
"646840"	382.092176	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+3H"	3.021828
"1169339"	128.035576	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+3H"	3.021828
"426050"	780.203623	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+NH4"	18.033823
"785722"	1161.288523	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+NH4"	18.033823
"1684472"	399.118723	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+NH4"	18.033823
"333844"	390.6054495	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+H+NH4"	19.041099
"726634"	581.1478995	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+H+NH4"	19.041099
"1489933"	200.0629995	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H+NH4"	19.041099
"406064"	785.159018	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+Na"	22.989218
"769500"	1166.243918	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+Na"	22.989218
"1617720"	404.074118	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Na"	22.989218
"326664"	393.083147	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+H+Na"	23.996494
"720179"	583.625597	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+H+Na"	23.996494
"1476189"	202.540697	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H+Na"	23.996494
"1067610"	135.36289	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2H+Na"	25.00377
"1266735"	414.118386	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+CH3OH+H"	33.033486
"390779"	801.132958	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+K"	38.963158
"749586"	1182.217858	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+K"	38.963158
"1549452"	420.048058	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+K"	38.963158
"308814"	401.070117	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+H+K"	39.970434
"701236"	591.612567	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+H+K"	39.970434
"1457247"	210.527667	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H+K"	39.970434
"245849"	804.203626	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+ACN+H"	42.033826
"1216370"	423.118726	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+ACN+H"	42.033826
"1201348"	212.063001	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+ACN+2H"	43.041102
"200781"	807.14096	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+2Na-H"	44.97116
"631225"	1188.22586	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+2Na-H"	44.97116
"1137283"	426.05606	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2Na-H"	44.97116
"174253"	404.074118	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+2Na"	45.978436
"614178"	594.616568	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+2Na"	45.978436
"1124734"	213.531668	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2Na"	45.978436
"1403886"	142.690204	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H+2Na"	46.985712
"1433811"	428.097646	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H+HCOOH"	47.012746
"220466"	409.10714	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+3H2O+2H"	56.04448
"1508772"	442.14969	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+IsoProp+H"	61.06479
"408641"	412.061088	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+Na+K"	61.952376
"772249"	602.603538	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+Na+K"	61.952376
"1665703"	221.518638	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Na+K"	61.952376
"259483"	826.185568	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+ACN+Na"	64.015768
"1234382"	445.100668	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+ACN+Na"	64.015768
"1722174"	445.124193	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+NH4+HCOOH"	64.039293
"1187528"	150.017518	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+3Na"	68.967654
"1659610"	450.079588	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Na+HCOOH"	68.994688
"168662"	839.08884	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+2K-H"	76.91904
"600929"	1220.17374	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+2K-H"	76.91904
"1090546"	458.00394	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2K-H"	76.91904
"144082"	420.048058	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"2M+2K"	77.926316
"582914"	610.590508	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"3M+2K"	77.926316
"1069855"	229.505608	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2K"	77.926316
"1100631"	460.018492	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2K+H"	78.933592
"1339937"	460.106107	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+DMSO+H"	79.021207
"1006642"	464.145276	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2ACN+H"	83.060376
"1527686"	465.138908	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+IsoProp+Na+H"	84.054008
"992312"	232.576276	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+2ACN+2H"	84.067652
"1590095"	466.053528	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+K+HCOOH"	84.968628
"1420858"	496.085038	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+H+CF3COOH"	115.000138
"1148592"	253.089551	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+3ACN+2H"	125.094202
"1698877"	513.111585	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+NH4+CF3COOH"	132.026685
"1635258"	518.06698	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+Na+CF3COOH"	136.98208
"1572003"	534.04092	"C06628"	"4-Hydroxy-6-methylpretetramide"	"C20H15NO7"	"381.0849"	"M+K+CF3COOH"	152.95602
"813309"	365.0899	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M"	0
"988911"	346.07151	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-H2O-H"	-19.01839
"77276"	242.385990666667	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M-3H"	-3.021828
"513556"	364.082624	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M-3H"	-3.021828
"892453"	120.689357333333	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-3H"	-3.021828
"9933"	364.082624	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M-2H"	-2.014552
"447310"	546.627574	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M-2H"	-2.014552
"828393"	181.537674	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-2H"	-2.014552
"86199"	729.172524	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M-H"	-1.007276
"523570"	1094.262424	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M-H"	-1.007276
"897366"	364.082624	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-H"	-1.007276
"51372"	746.199071	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M-2H+NH4"	16.019271
"490932"	1111.288971	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M-2H+NH4"	16.019271
"867640"	381.109171	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-2H+NH4"	16.019271
"32745"	751.154466	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M-2H+Na"	20.974666
"471616"	1116.244366	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M-2H+Na"	20.974666
"850351"	386.064566	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-2H+Na"	20.974666
"1626816"	386.064566	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Na-2H"	20.974666
"103345"	382.070963	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M-H+Cl"	33.962126
"543999"	564.615913	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M-H+Cl"	33.962126
"936420"	199.526013	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-H+Cl"	33.962126
"274976"	765.149202	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+Cl"	34.969402
"670677"	1130.239102	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+Cl"	34.969402
"1284173"	400.059302	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Cl"	34.969402
"25636"	767.128406	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M-2H+K"	36.948606
"464102"	1132.218306	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M-2H+K"	36.948606
"837531"	402.038506	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-2H+K"	36.948606
"1557739"	402.038506	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+K-2H"	36.948606
"948903"	410.088094	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-H+HCOOH"	44.998194
"368210"	775.178001	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+HCOOH-H"	44.998201
"354284"	789.193651	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+Hac-H"	59.013851
"1502027"	424.103751	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Hac-H"	59.013851
"965194"	432.070051	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-H+NaCOOH"	66.980151
"116289"	400.059302	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+2Cl"	69.938804
"552568"	582.604252	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+2Cl"	69.938804
"1033397"	217.514352	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2Cl"	69.938804
"1246415"	444.008785	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Br"	78.918885
"1314329"	446.064772	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Cl+HCOOH"	80.974872
"1326356"	468.046729	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Cl+NaCOOH"	102.956829
"911619"	478.075486	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M-H+CF3COOH"	112.985586
"1288974"	514.052164	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Cl+CF3COOH"	148.962264
"1367909"	330.077224	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H-2H2O"	-35.012676
"1385039"	348.0872	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H-H2O"	-17.0027
"283267"	731.187076	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+H"	1.007276
"676782"	1096.276976	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+H"	1.007276
"1351379"	366.097176	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H"	1.007276
"125940"	366.097176	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+2H"	2.014552
"567405"	548.642126	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+2H"	2.014552
"1037132"	183.552226	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2H"	2.014552
"209577"	244.400542666667	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+3H"	3.021828
"645857"	366.097176	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+3H"	3.021828
"1169449"	122.703909333333	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+3H"	3.021828
"427254"	748.213623	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+NH4"	18.033823
"787158"	1113.303523	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+NH4"	18.033823
"1686769"	383.123723	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+NH4"	18.033823
"344172"	374.6104495	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+H+NH4"	19.041099
"737813"	557.1553995	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+H+NH4"	19.041099
"1490414"	192.0654995	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H+NH4"	19.041099
"406548"	753.169018	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+Na"	22.989218
"769238"	1118.258918	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+Na"	22.989218
"1617704"	388.079118	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Na"	22.989218
"325678"	377.088147	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+H+Na"	23.996494
"718100"	559.633097	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+H+Na"	23.996494
"1473015"	194.543197	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H+Na"	23.996494
"1065170"	130.031223333333	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2H+Na"	25.00377
"1269764"	398.123386	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+CH3OH+H"	33.033486
"389797"	769.142958	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+K"	38.963158
"750791"	1134.232858	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+K"	38.963158
"1547377"	404.053058	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+K"	38.963158
"308927"	385.075117	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+H+K"	39.970434
"702442"	567.620067	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+H+K"	39.970434
"1456263"	202.530167	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H+K"	39.970434
"247051"	772.213626	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+ACN+H"	42.033826
"1215388"	407.123726	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+ACN+H"	42.033826
"1199270"	204.065501	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+ACN+2H"	43.041102
"188935"	775.15096	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+2Na-H"	44.97116
"631335"	1140.24086	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+2Na-H"	44.97116
"1131626"	410.06106	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2Na-H"	44.97116
"173143"	388.079118	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+2Na"	45.978436
"614286"	570.624068	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+2Na"	45.978436
"1115802"	205.534168	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2Na"	45.978436
"1398884"	137.358537333333	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H+2Na"	46.985712
"1431735"	412.102646	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H+HCOOH"	47.012746
"223253"	393.11214	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+3H2O+2H"	56.04448
"1509498"	426.15469	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+IsoProp+H"	61.06479
"411371"	396.066088	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+Na+K"	61.952376
"771638"	578.611038	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+Na+K"	61.952376
"1676357"	213.521138	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Na+K"	61.952376
"257409"	794.195568	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+ACN+Na"	64.015768
"1237773"	429.105668	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+ACN+Na"	64.015768
"1724472"	429.129193	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+NH4+HCOOH"	64.039293
"1184362"	144.685851333333	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+3Na"	68.967654
"1659723"	434.084588	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Na+HCOOH"	68.994688
"158932"	807.09884	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+2K-H"	76.91904
"598487"	1172.18874	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+2K-H"	76.91904
"1084220"	442.00894	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2K-H"	76.91904
"141489"	404.053058	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"2M+2K"	77.926316
"581435"	586.598008	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"3M+2K"	77.926316
"1068991"	221.508108	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2K"	77.926316
"1099936"	444.023492	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2K+H"	78.933592
"1335696"	444.111107	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+DMSO+H"	79.021207
"1005707"	448.150276	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2ACN+H"	83.060376
"1524281"	449.143908	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+IsoProp+Na+H"	84.054008
"990600"	224.578776	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+2ACN+2H"	84.067652
"1587529"	450.058528	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+K+HCOOH"	84.968628
"1418781"	480.090038	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+H+CF3COOH"	115.000138
"1151254"	245.092051	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+3ACN+2H"	125.094202
"1699716"	497.116585	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+NH4+CF3COOH"	132.026685
"1637920"	502.07198	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+Na+CF3COOH"	136.98208
"1572478"	518.04592	"C06629"	"6-Methylpretetramide"	"C20H15NO6"	"365.0899"	"M+K+CF3COOH"	152.95602
"814512"	546.3404	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M"	0
"988049"	527.32201	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-H2O-H"	-19.01839
"77388"	363.219657333333	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M-3H"	-3.021828
"515854"	545.333124	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M-3H"	-3.021828
"884907"	181.106190666667	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-3H"	-3.021828
"6766"	545.333124	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M-2H"	-2.014552
"447420"	818.503324	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M-2H"	-2.014552
"827410"	272.162924	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-2H"	-2.014552
"82662"	1091.673524	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M-H"	-1.007276
"521856"	1638.013924	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M-H"	-1.007276
"900388"	545.333124	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-H"	-1.007276
"50753"	1108.700071	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M-2H+NH4"	16.019271
"489949"	1655.040471	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M-2H+NH4"	16.019271
"866658"	562.359671	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-2H+NH4"	16.019271
"32370"	1113.655466	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M-2H+Na"	20.974666
"471930"	1659.995866	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M-2H+Na"	20.974666
"850828"	567.315066	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-2H+Na"	20.974666
"1626927"	567.315066	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Na-2H"	20.974666
"106736"	563.321463	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M-H+Cl"	33.962126
"544110"	836.491663	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M-H+Cl"	33.962126
"935438"	290.151263	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-H+Cl"	33.962126
"277274"	1127.650202	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+Cl"	34.969402
"668602"	1673.990602	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+Cl"	34.969402
"1285377"	581.309802	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Cl"	34.969402
"25748"	1129.629406	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M-2H+K"	36.948606
"464216"	1675.969806	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M-2H+K"	36.948606
"844202"	583.289006	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-2H+K"	36.948606
"1562222"	583.289006	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+K-2H"	36.948606
"952294"	591.338594	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-H+HCOOH"	44.998194
"368323"	1137.679001	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+HCOOH-H"	44.998201
"353305"	1151.694651	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+Hac-H"	59.013851
"1493631"	605.354251	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Hac-H"	59.013851
"964212"	613.320551	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-H+NaCOOH"	66.980151
"110142"	581.309802	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+2Cl"	69.938804
"551587"	854.480002	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+2Cl"	69.938804
"1022207"	308.139602	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2Cl"	69.938804
"1251992"	625.259285	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Br"	78.918885
"1313347"	627.315272	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Cl+HCOOH"	80.974872
"1327560"	649.297229	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Cl+NaCOOH"	102.956829
"913516"	659.325986	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M-H+CF3COOH"	112.985586
"1290225"	695.302664	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Cl+CF3COOH"	148.962264
"1372392"	511.327724	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H-2H2O"	-35.012676
"1392076"	529.3377	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H-H2O"	-17.0027
"286296"	1093.688076	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+H"	1.007276
"676165"	1640.028476	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+H"	1.007276
"1353121"	547.347676	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H"	1.007276
"131236"	547.347676	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+2H"	2.014552
"568610"	820.517876	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+2H"	2.014552
"1040689"	274.177476	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2H"	2.014552
"207500"	365.234209333333	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+3H"	3.021828
"646088"	547.347676	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+3H"	3.021828
"1165187"	183.120742666667	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+3H"	3.021828
"425053"	1110.714623	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+NH4"	18.033823
"787510"	1657.055023	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+NH4"	18.033823
"1687974"	564.374223	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+NH4"	18.033823
"345140"	555.8609495	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+H+NH4"	19.041099
"737679"	829.0311495	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+H+NH4"	19.041099
"1489799"	282.6907495	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H+NH4"	19.041099
"407869"	1115.670018	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+Na"	22.989218
"765831"	1662.010418	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+Na"	22.989218
"1615023"	569.329618	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Na"	22.989218
"324695"	558.338647	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+H+Na"	23.996494
"719667"	831.508847	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+H+Na"	23.996494
"1471668"	285.168447	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H+Na"	23.996494
"1064550"	190.448056666667	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2H+Na"	25.00377
"1269510"	579.373886	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+CH3OH+H"	33.033486
"385534"	1131.643958	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+K"	38.963158
"748716"	1677.984358	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+K"	38.963158
"1548581"	585.303558	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+K"	38.963158
"303571"	566.325617	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+H+K"	39.970434
"701458"	839.495817	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+H+K"	39.970434
"1453094"	293.155417	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H+K"	39.970434
"240601"	1134.714626	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+ACN+H"	42.033826
"1217683"	588.374226	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+ACN+H"	42.033826
"1198288"	294.690751	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+ACN+2H"	43.041102
"189696"	1137.65196	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+2Na-H"	44.97116
"629258"	1683.99236	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+2Na-H"	44.97116
"1131365"	591.31156	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2Na-H"	44.97116
"173336"	569.329618	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+2Na"	45.978436
"613787"	842.499818	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+2Na"	45.978436
"1115750"	296.159418	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2Na"	45.978436
"1398873"	197.775370666667	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H+2Na"	46.985712
"1432940"	593.353146	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H+HCOOH"	47.012746
"223727"	574.36264	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+3H2O+2H"	56.04448
"1510332"	607.40519	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+IsoProp+H"	61.06479
"409531"	577.316588	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+Na+K"	61.952376
"770654"	850.486788	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+Na+K"	61.952376
"1666251"	304.146388	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Na+K"	61.952376
"252778"	1156.696568	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+ACN+Na"	64.015768
"1231685"	610.356168	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+ACN+Na"	64.015768
"1720208"	610.379693	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+NH4+HCOOH"	64.039293
"1186656"	205.102684666667	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+3Na"	68.967654
"1655821"	615.335088	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Na+HCOOH"	68.994688
"157132"	1169.59984	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+2K-H"	76.91904
"597370"	1715.94024	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+2K-H"	76.91904
"1085173"	623.25944	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2K-H"	76.91904
"141663"	585.303558	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"2M+2K"	77.926316
"581913"	858.473758	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"3M+2K"	77.926316
"1068887"	312.133358	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2K"	77.926316
"1100355"	625.273992	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2K+H"	78.933592
"1336254"	625.361607	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+DMSO+H"	79.021207
"1005640"	629.400776	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2ACN+H"	83.060376
"1525719"	630.394408	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+IsoProp+Na+H"	84.054008
"989979"	315.204026	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+2ACN+2H"	84.067652
"1588005"	631.309028	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+K+HCOOH"	84.968628
"1417071"	661.340538	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+H+CF3COOH"	115.000138
"1151370"	335.717301	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+3ACN+2H"	125.094202
"1700919"	678.367085	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+NH4+CF3COOH"	132.026685
"1648601"	683.32248	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+Na+CF3COOH"	136.98208
"1577690"	699.29642	"C06630"	"3-O-alpha-Mycarosylerythronolide B;3-alpha-L-Mycarosylerythronolide B;4-(45-Dihydroxy-46-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6712-trihydroxy-35791113-hexamethyl-oxacyclotetradecane-210-dione"	"C28H50O10"	"546.3404"	"M+K+CF3COOH"	152.95602
"816696"	703.4507	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M"	0
"989130"	684.43231	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-H2O-H"	-19.01839
"77743"	467.959857333333	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M-3H"	-3.021828
"512681"	702.443424	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M-3H"	-3.021828
"889391"	233.476290666667	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-3H"	-3.021828
"11248"	702.443424	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M-2H"	-2.014552
"448624"	1054.168774	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M-2H"	-2.014552
"826427"	350.718074	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-2H"	-2.014552
"84233"	1405.894124	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M-H"	-1.007276
"521602"	2109.344824	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M-H"	-1.007276
"897582"	702.443424	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-H"	-1.007276
"52689"	1422.920671	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M-2H+NH4"	16.019271
"493342"	2126.371371	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M-2H+NH4"	16.019271
"872238"	719.469971	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-2H+NH4"	16.019271
"34670"	1427.876066	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M-2H+Na"	20.974666
"480793"	2131.326766	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M-2H+Na"	20.974666
"857502"	724.425366	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-2H+Na"	20.974666
"1627038"	724.425366	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Na-2H"	20.974666
"103566"	720.431763	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M-H+Cl"	33.962126
"545314"	1072.157113	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M-H+Cl"	33.962126
"938829"	368.706413	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-H+Cl"	33.962126
"278477"	1441.870802	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+Cl"	34.969402
"671991"	2145.321502	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+Cl"	34.969402
"1285487"	738.420102	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Cl"	34.969402
"28044"	1443.850006	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M-2H+K"	36.948606
"469790"	2147.300706	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M-2H+K"	36.948606
"846135"	740.399306	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-2H+K"	36.948606
"1564519"	740.399306	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+K-2H"	36.948606
"951311"	748.448894	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-H+HCOOH"	44.998194
"367340"	1451.899601	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+HCOOH-H"	44.998201
"355600"	1465.915251	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+Hac-H"	59.013851
"1501154"	762.464551	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Hac-H"	59.013851
"964320"	770.430851	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-H+NaCOOH"	66.980151
"114322"	738.420102	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+2Cl"	69.938804
"559350"	1090.145452	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+2Cl"	69.938804
"1027055"	386.694752	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2Cl"	69.938804
"1247727"	782.369585	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Br"	78.918885
"1312362"	784.425572	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Cl+HCOOH"	80.974872
"1332046"	806.407529	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Cl+NaCOOH"	102.956829
"914355"	816.436286	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M-H+CF3COOH"	112.985586
"1296530"	852.412964	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Cl+CF3COOH"	148.962264
"1379064"	668.438024	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H-2H2O"	-35.012676
"1392188"	686.448	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H-H2O"	-17.0027
"286407"	1407.908676	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+H"	1.007276
"679922"	2111.359376	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+H"	1.007276
"1356270"	704.457976	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H"	1.007276
"130253"	704.457976	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+2H"	2.014552
"572000"	1056.183326	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+2H"	2.014552
"1039705"	352.732626	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2H"	2.014552
"209798"	469.974409333333	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+3H"	3.021828
"644616"	704.457976	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+3H"	3.021828
"1167484"	235.490842666667	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+3H"	3.021828
"425410"	1424.935223	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+NH4"	18.033823
"786406"	2128.385923	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+NH4"	18.033823
"1696475"	721.484523	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+NH4"	18.033823
"345000"	712.9712495	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+H+NH4"	19.041099
"734262"	1064.6965995	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+H+NH4"	19.041099
"1491003"	361.2458995	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H+NH4"	19.041099
"403485"	1429.890618	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+Na"	22.989218
"765575"	2133.341318	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+Na"	22.989218
"1617198"	726.439918	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Na"	22.989218
"328083"	715.448947	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+H+Na"	23.996494
"719411"	1067.174297	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+H+Na"	23.996494
"1476028"	363.723597	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H+Na"	23.996494
"1067448"	242.818156666667	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2H+Na"	25.00377
"1269249"	736.484186	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+CH3OH+H"	33.033486
"387826"	1445.864558	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+K"	38.963158
"748821"	2149.315258	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+K"	38.963158
"1547596"	742.413858	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+K"	38.963158
"304772"	723.435917	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+H+K"	39.970434
"703754"	1075.161267	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+H+K"	39.970434
"1448830"	371.710567	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H+K"	39.970434
"238890"	1448.935226	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+ACN+H"	42.033826
"1215608"	745.484526	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+ACN+H"	42.033826
"1194545"	373.245901	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+ACN+2H"	43.041102
"190536"	1451.87256	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+2Na-H"	44.97116
"628595"	2155.32326	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+2Na-H"	44.97116
"1131657"	748.42186	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2Na-H"	44.97116
"175071"	726.439918	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+2Na"	45.978436
"613127"	1078.165268	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+2Na"	45.978436
"1117408"	374.714568	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2Na"	45.978436
"1400568"	250.145470666667	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H+2Na"	46.985712
"1430618"	750.463446	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H+HCOOH"	47.012746
"222381"	731.47294	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+3H2O+2H"	56.04448
"1508860"	764.51549	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+IsoProp+H"	61.06479
"409278"	734.426888	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+Na+K"	61.952376
"772588"	1086.152238	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+Na+K"	61.952376
"1665876"	382.701538	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Na+K"	61.952376
"254347"	1470.917168	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+ACN+Na"	64.015768
"1231430"	767.466468	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+ACN+Na"	64.015768
"1725057"	767.489993	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+NH4+HCOOH"	64.039293
"1187860"	257.472784666667	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+3Na"	68.967654
"1657756"	772.445388	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Na+HCOOH"	68.994688
"157484"	1483.82044	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+2K-H"	76.91904
"597207"	2187.27114	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+2K-H"	76.91904
"1085081"	780.36974	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2K-H"	76.91904
"143315"	742.413858	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"2M+2K"	77.926316
"582271"	1094.139208	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"3M+2K"	77.926316
"1069089"	390.688508	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2K"	77.926316
"1100068"	782.384292	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2K+H"	78.933592
"1335877"	782.471907	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+DMSO+H"	79.021207
"1007339"	786.511076	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2ACN+H"	83.060376
"1526193"	787.504708	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+IsoProp+Na+H"	84.054008
"993735"	393.759176	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+2ACN+2H"	84.067652
"1588968"	788.419328	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+K+HCOOH"	84.968628
"1416816"	818.450838	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+H+CF3COOH"	115.000138
"1148197"	414.272451	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+3ACN+2H"	125.094202
"1703216"	835.477385	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+NH4+CF3COOH"	132.026685
"1646523"	840.43278	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+Na+CF3COOH"	136.98208
"1577800"	856.40672	"C06633"	"Erythromycin D"	"C36H65NO12"	"703.4507"	"M+K+CF3COOH"	152.95602
"814733"	747.4405	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M"	0
"988270"	728.42211	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-H2O-H"	-19.01839
"74327"	497.286390666667	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M-3H"	-3.021828
"516074"	746.433224	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M-3H"	-3.021828
"890595"	248.139557333333	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-3H"	-3.021828
"11358"	746.433224	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M-2H"	-2.014552
"452745"	1120.153474	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M-2H"	-2.014552
"828724"	372.712974	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-2H"	-2.014552
"83248"	1493.873724	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M-H"	-1.007276
"523537"	2241.314224	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M-H"	-1.007276
"900244"	746.433224	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-H"	-1.007276
"54255"	1510.900271	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M-2H+NH4"	16.019271
"495638"	2258.340771	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M-2H+NH4"	16.019271
"872348"	763.459771	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-2H+NH4"	16.019271
"37698"	1515.855666	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M-2H+Na"	20.974666
"480903"	2263.296166	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M-2H+Na"	20.974666
"856519"	768.415166	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-2H+Na"	20.974666
"1622772"	768.415166	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Na-2H"	20.974666
"100396"	764.421563	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M-H+Cl"	33.962126
"542143"	1138.141813	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M-H+Cl"	33.962126
"941126"	390.701313	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-H+Cl"	33.962126
"275307"	1529.850402	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+Cl"	34.969402
"668821"	2277.290902	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+Cl"	34.969402
"1282317"	782.409902	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Cl"	34.969402
"25967"	1531.829606	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M-2H+K"	36.948606
"469900"	2279.270106	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M-2H+K"	36.948606
"847338"	784.389106	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-2H+K"	36.948606
"1561349"	784.389106	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+K-2H"	36.948606
"947046"	792.438694	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-H+HCOOH"	44.998194
"370729"	1539.879201	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+HCOOH-H"	44.998201
"354616"	1553.894851	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+Hac-H"	59.013851
"1502358"	806.454351	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Hac-H"	59.013851
"964431"	814.420651	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-H+NaCOOH"	66.980151
"119900"	782.409902	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+2Cl"	69.938804
"558367"	1156.130152	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+2Cl"	69.938804
"1028259"	408.689652	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2Cl"	69.938804
"1245651"	826.359385	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Br"	78.918885
"1313566"	828.415372	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Cl+HCOOH"	80.974872
"1332156"	850.397329	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Cl+NaCOOH"	102.956829
"918839"	860.426086	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M-H+CF3COOH"	112.985586
"1302107"	896.402764	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Cl+CF3COOH"	148.962264
"1375895"	712.427824	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H-2H2O"	-35.012676
"1389020"	730.4378	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H-H2O"	-17.0027
"283966"	1495.888276	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+H"	1.007276
"678939"	2243.328776	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+H"	1.007276
"1360754"	748.447776	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H"	1.007276
"130363"	748.447776	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+2H"	2.014552
"572110"	1122.168026	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+2H"	2.014552
"1040908"	374.727526	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2H"	2.014552
"212099"	499.300942666667	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+3H"	3.021828
"652749"	748.447776	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+3H"	3.021828
"1168688"	250.154109333333	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+3H"	3.021828
"425763"	1512.914823	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+NH4"	18.033823
"788582"	2260.355323	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+NH4"	18.033823
"1692573"	765.474323	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+NH4"	18.033823
"341949"	756.9610495	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+H+NH4"	19.041099
"736191"	1130.6812995	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+H+NH4"	19.041099
"1491474"	383.2407995	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H+NH4"	19.041099
"405782"	1517.870218	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+Na"	22.989218
"765685"	2265.310718	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+Na"	22.989218
"1616700"	770.429718	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Na"	22.989218
"328440"	759.438747	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+H+Na"	23.996494
"719521"	1133.158997	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+H+Na"	23.996494
"1474074"	385.718497	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H+Na"	23.996494
"1064405"	257.481423333333	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2H+Na"	25.00377
"1266086"	780.473986	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+CH3OH+H"	33.033486
"387574"	1533.844158	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+K"	38.963158
"747838"	2281.284658	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+K"	38.963158
"1547706"	786.403658	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+K"	38.963158
"307070"	767.425717	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+H+K"	39.970434
"701678"	1141.145967	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+H+K"	39.970434
"1448209"	393.705467	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H+K"	39.970434
"239000"	1536.914826	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+ACN+H"	42.033826
"1216811"	789.474326	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+ACN+H"	42.033826
"1194615"	395.240801	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+ACN+2H"	43.041102
"189918"	1539.85216	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+2Na-H"	44.97116
"628869"	2287.29266	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+2Na-H"	44.97116
"1135172"	792.41166	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2Na-H"	44.97116
"175913"	770.429718	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+2Na"	45.978436
"615836"	1144.149968	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+2Na"	45.978436
"1117883"	396.709468	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2Na"	45.978436
"1402505"	264.808737333333	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H+2Na"	46.985712
"1432797"	794.453246	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H+HCOOH"	47.012746
"221398"	775.46274	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+3H2O+2H"	56.04448
"1510186"	808.50529	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+IsoProp+H"	61.06479
"409508"	778.416688	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+Na+K"	61.952376
"776344"	1152.136938	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+Na+K"	61.952376
"1666109"	404.696438	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Na+K"	61.952376
"254457"	1558.896768	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+ACN+Na"	64.015768
"1232635"	811.456268	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+ACN+Na"	64.015768
"1724802"	811.479793	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+NH4+HCOOH"	64.039293
"1187970"	272.136051333333	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+3Na"	68.967654
"1658959"	816.435188	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Na+HCOOH"	68.994688
"157798"	1571.80004	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+2K-H"	76.91904
"598088"	2319.24054	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+2K-H"	76.91904
"1085869"	824.35954	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2K-H"	76.91904
"143172"	786.403658	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"2M+2K"	77.926316
"581769"	1160.123908	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"3M+2K"	77.926316
"1068742"	412.683408	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2K"	77.926316
"1100452"	826.374092	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2K+H"	78.933592
"1335869"	826.461707	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+DMSO+H"	79.021207
"1006025"	830.500876	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2ACN+H"	83.060376
"1524205"	831.494508	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+IsoProp+Na+H"	84.054008
"990565"	415.754076	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+2ACN+2H"	84.067652
"1589078"	832.409128	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+K+HCOOH"	84.968628
"1418020"	862.440638	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+H+CF3COOH"	115.000138
"1149402"	436.267351	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+3ACN+2H"	125.094202
"1698586"	879.467185	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+NH4+CF3COOH"	132.026685
"1637884"	884.42258	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+Na+CF3COOH"	136.98208
"1574629"	900.39652	"C06634"	"Erythromycin E"	"C37H65NO14"	"747.4405"	"M+K+CF3COOH"	152.95602
"816301"	402.2618	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M"	0
"988379"	383.24341	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-H2O-H"	-19.01839
"71156"	267.167257333333	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M-3H"	-3.021828
"513997"	401.254524	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M-3H"	-3.021828
"889612"	133.079990666667	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-3H"	-3.021828
"10374"	401.254524	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M-2H"	-2.014552
"451030"	602.385424	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M-2H"	-2.014552
"829562"	200.123624	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-2H"	-2.014552
"87733"	803.516324	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M-H"	-1.007276
"529480"	1205.778124	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M-H"	-1.007276
"904003"	401.254524	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-H"	-1.007276
"55094"	820.542871	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M-2H+NH4"	16.019271
"496841"	1222.804671	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M-2H+NH4"	16.019271
"867354"	418.281071	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-2H+NH4"	16.019271
"37443"	825.498266	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M-2H+Na"	20.974666
"481014"	1227.760066	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M-2H+Na"	20.974666
"859910"	423.236466	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-2H+Na"	20.974666
"1627257"	423.236466	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Na-2H"	20.974666
"105973"	419.242863	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M-H+Cl"	33.962126
"544440"	620.373763	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M-H+Cl"	33.962126
"940143"	218.111963	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-H+Cl"	33.962126
"275417"	839.493002	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+Cl"	34.969402
"668931"	1241.754802	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+Cl"	34.969402
"1280240"	437.231202	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Cl"	34.969402
"24982"	841.472206	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M-2H+K"	36.948606
"461262"	1243.734006	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M-2H+K"	36.948606
"840157"	439.210406	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-2H+K"	36.948606
"1560363"	439.210406	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+K-2H"	36.948606
"949342"	447.259994	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-H+HCOOH"	44.998194
"368652"	849.521801	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+HCOOH-H"	44.998201
"355819"	863.537451	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+Hac-H"	59.013851
"1500279"	461.275651	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Hac-H"	59.013851
"966727"	469.241951	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-H+NaCOOH"	66.980151
"121831"	437.231202	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+2Cl"	69.938804
"557383"	638.362102	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+2Cl"	69.938804
"1028369"	236.100302	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2Cl"	69.938804
"1250135"	481.180685	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Br"	78.918885
"1311489"	483.236672	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Cl+HCOOH"	80.974872
"1326799"	505.218629	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Cl+NaCOOH"	102.956829
"916762"	515.247386	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M-H+CF3COOH"	112.985586
"1291284"	551.224064	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Cl+CF3COOH"	148.962264
"1369446"	367.249124	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H-2H2O"	-35.012676
"1389130"	385.2591	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H-H2O"	-17.0027
"284437"	805.530876	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+H"	1.007276
"677955"	1207.792676	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+H"	1.007276
"1357584"	403.269076	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H"	1.007276
"131565"	403.269076	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+2H"	2.014552
"567846"	604.399976	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+2H"	2.014552
"1039316"	202.138176	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2H"	2.014552
"213302"	269.181809333333	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+3H"	3.021828
"651766"	403.269076	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+3H"	3.021828
"1170984"	135.094542666667	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+3H"	3.021828
"426603"	822.557423	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+NH4"	18.033823
"788692"	1224.819223	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+NH4"	18.033823
"1692683"	420.295623	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+NH4"	18.033823
"340966"	411.7823495	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+H+NH4"	19.041099
"735572"	612.9132495	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+H+NH4"	19.041099
"1487210"	210.6514495	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H+NH4"	19.041099
"400423"	827.512818	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+Na"	22.989218
"762512"	1229.774618	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+Na"	22.989218
"1616445"	425.251018	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Na"	22.989218
"326845"	414.260047	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+H+Na"	23.996494
"721454"	615.390947	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+H+Na"	23.996494
"1476004"	213.129147	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H+Na"	23.996494
"1067066"	142.421856666667	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2H+Na"	25.00377
"1269838"	435.295286	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+CH3OH+H"	33.033486
"388778"	843.486758	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+K"	38.963158
"747948"	1245.748558	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+K"	38.963158
"1547816"	441.224958	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+K"	38.963158
"307180"	422.247017	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+H+K"	39.970434
"700694"	623.377917	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+H+K"	39.970434
"1451237"	221.116117	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H+K"	39.970434
"239110"	846.557426	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+ACN+H"	42.033826
"1221296"	444.295626	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+ACN+H"	42.033826
"1195086"	222.651451	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+ACN+2H"	43.041102
"190270"	849.49476	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+2Na-H"	44.97116
"629099"	1251.75656	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+2Na-H"	44.97116
"1131674"	447.23296	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2Na-H"	44.97116
"174566"	425.251018	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+2Na"	45.978436
"613997"	626.381918	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+2Na"	45.978436
"1117509"	224.120118	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2Na"	45.978436
"1400061"	149.749170666667	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H+2Na"	46.985712
"1432178"	449.274546	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H+HCOOH"	47.012746
"220895"	430.28404	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+3H2O+2H"	56.04448
"1509808"	463.32659	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+IsoProp+H"	61.06479
"409048"	433.237988	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+Na+K"	61.952376
"772444"	634.368888	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+Na+K"	61.952376
"1666586"	232.107088	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Na+K"	61.952376
"254566"	868.539368	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+ACN+Na"	64.015768
"1230556"	466.277568	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+ACN+Na"	64.015768
"1717256"	466.301093	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+NH4+HCOOH"	64.039293
"1184070"	157.076484666667	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+3Na"	68.967654
"1656880"	471.256488	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Na+HCOOH"	68.994688
"159367"	881.44264	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+2K-H"	76.91904
"601116"	1283.70444	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+2K-H"	76.91904
"1084358"	479.18084	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2K-H"	76.91904
"142195"	441.224958	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"2M+2K"	77.926316
"582365"	642.355858	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"3M+2K"	77.926316
"1069177"	240.094058	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2K"	77.926316
"1100323"	481.195392	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2K+H"	78.933592
"1336098"	481.283007	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+DMSO+H"	79.021207
"1005889"	485.322176	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2ACN+H"	83.060376
"1525199"	486.315808	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+IsoProp+Na+H"	84.054008
"991405"	243.164726	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+2ACN+2H"	84.067652
"1589188"	487.230428	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+K+HCOOH"	84.968628
"1418130"	517.261938	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+H+CF3COOH"	115.000138
"1149512"	263.678001	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+3ACN+2H"	125.094202
"1698696"	534.288485	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+NH4+CF3COOH"	132.026685
"1637994"	539.24388	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+Na+CF3COOH"	136.98208
"1572550"	555.21782	"C06635"	"Erythronolide B"	"C21H38O7"	"402.2618"	"M+K+CF3COOH"	152.95602
"814953"	317.9537	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M"	0
"989218"	298.93531	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-H2O-H"	-19.01839
"72359"	210.961857333333	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M-3H"	-3.021828
"513013"	316.946424	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M-3H"	-3.021828
"885347"	104.977290666667	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-3H"	-3.021828
"6109"	316.946424	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M-2H"	-2.014552
"448952"	475.923274	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M-2H"	-2.014552
"828943"	157.969574	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-2H"	-2.014552
"82010"	634.900124	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M-H"	-1.007276
"525215"	952.853824	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M-H"	-1.007276
"903019"	316.946424	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-H"	-1.007276
"53018"	651.926671	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M-2H+NH4"	16.019271
"492213"	969.880371	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M-2H+NH4"	16.019271
"869651"	333.972971	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-2H+NH4"	16.019271
"35730"	656.882066	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M-2H+Na"	20.974666
"476019"	974.835766	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M-2H+Na"	20.974666
"858926"	338.928366	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-2H+Na"	20.974666
"1630283"	338.928366	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Na-2H"	20.974666
"108877"	334.934763	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M-H+Cl"	33.962126
"544550"	493.911613	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M-H+Cl"	33.962126
"940253"	175.957913	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-H+Cl"	33.962126
"278807"	670.876802	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+Cl"	34.969402
"671228"	988.830502	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+Cl"	34.969402
"1282539"	352.923102	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Cl"	34.969402
"22908"	672.856006	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M-2H+K"	36.948606
"463563"	990.809706	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M-2H+K"	36.948606
"841363"	354.902306	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-2H+K"	36.948606
"1564850"	354.902306	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+K-2H"	36.948606
"946172"	362.951894	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-H+HCOOH"	44.998194
"365484"	680.905601	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+HCOOH-H"	44.998201
"357022"	694.921251	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+Hac-H"	59.013851
"1501482"	376.967551	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Hac-H"	59.013851
"965744"	384.933851	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-H+NaCOOH"	66.980151
"123036"	352.923102	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+2Cl"	69.938804
"562595"	511.899952	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+2Cl"	69.938804
"1029572"	193.946252	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2Cl"	69.938804
"1256765"	396.872585	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Br"	78.918885
"1311599"	398.928572	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Cl+HCOOH"	80.974872
"1326909"	420.910529	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Cl+NaCOOH"	102.956829
"919059"	430.939286	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M-H+CF3COOH"	112.985586
"1292487"	466.915964	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Cl+CF3COOH"	148.962264
"1370649"	282.941024	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H-2H2O"	-35.012676
"1392520"	300.951	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H-H2O"	-17.0027
"286738"	636.914676	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+H"	1.007276
"682439"	954.868376	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+H"	1.007276
"1360974"	318.960976	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H"	1.007276
"130583"	318.960976	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+2H"	2.014552
"570143"	477.937826	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+2H"	2.014552
"1041128"	159.984126	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2H"	2.014552
"211225"	212.976409333333	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+3H"	3.021828
"650783"	318.960976	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+3H"	3.021828
"1172187"	106.991842666667	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+3H"	3.021828
"428901"	653.941223	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+NH4"	18.033823
"788804"	971.894923	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+NH4"	18.033823
"1686226"	335.987523	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+NH4"	18.033823
"339981"	327.4742495	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+H+NH4"	19.041099
"736775"	486.4510995	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+H+NH4"	19.041099
"1486224"	168.4973995	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H+NH4"	19.041099
"397252"	658.896618	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+Na"	22.989218
"761527"	976.850318	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+Na"	22.989218
"1616918"	340.942918	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Na"	22.989218
"328413"	329.951947	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+H+Na"	23.996494
"716459"	488.928797	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+H+Na"	23.996494
"1476118"	170.975097	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H+Na"	23.996494
"1062439"	114.319156666667	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2H+Na"	25.00377
"1267032"	350.987186	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+CH3OH+H"	33.033486
"387064"	674.870558	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+K"	38.963158
"744777"	992.824258	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+K"	38.963158
"1545740"	356.916858	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+K"	38.963158
"306197"	337.938917	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+H+K"	39.970434
"698619"	496.915767	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+H+K"	39.970434
"1448429"	178.962067	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H+K"	39.970434
"237030"	677.941226	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+ACN+H"	42.033826
"1211928"	359.987526	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+ACN+H"	42.033826
"1194506"	180.497401	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+ACN+2H"	43.041102
"188797"	680.87856	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+2Na-H"	44.97116
"629210"	998.83226	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+2Na-H"	44.97116
"1132230"	362.92486	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2Na-H"	44.97116
"173016"	340.942918	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+2Na"	45.978436
"613296"	499.919768	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+2Na"	45.978436
"1118836"	181.966068	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2Na"	45.978436
"1400899"	121.646470666667	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H+2Na"	46.985712
"1432289"	364.966446	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H+HCOOH"	47.012746
"220885"	345.97594	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+3H2O+2H"	56.04448
"1508824"	379.01849	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+IsoProp+H"	61.06479
"408997"	348.929888	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+Na+K"	61.952376
"772187"	507.906738	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+Na+K"	61.952376
"1667060"	189.953038	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Na+K"	61.952376
"256134"	699.923168	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+ACN+Na"	64.015768
"1227020"	381.969468	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+ACN+Na"	64.015768
"1718824"	381.992993	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+NH4+HCOOH"	64.039293
"1186001"	128.973784666667	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+3Na"	68.967654
"1661364"	386.948388	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Na+HCOOH"	68.994688
"161667"	712.82644	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+2K-H"	76.91904
"597941"	1030.78014	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+2K-H"	76.91904
"1085006"	394.87274	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2K-H"	76.91904
"142665"	356.916858	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"2M+2K"	77.926316
"581986"	515.893708	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"3M+2K"	77.926316
"1069167"	197.940008	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2K"	77.926316
"1100318"	396.887292	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2K+H"	78.933592
"1335885"	396.974907	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+DMSO+H"	79.021207
"1006570"	401.014076	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2ACN+H"	83.060376
"1524818"	402.007708	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+IsoProp+Na+H"	84.054008
"990289"	201.010676	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+2ACN+2H"	84.067652
"1587958"	402.922328	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+K+HCOOH"	84.968628
"1416417"	432.953838	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+H+CF3COOH"	115.000138
"1148528"	221.523951	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+3ACN+2H"	125.094202
"1699170"	449.980385	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+NH4+CF3COOH"	132.026685
"1646853"	454.93578	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+Na+CF3COOH"	136.98208
"1581410"	470.90972	"C06636"	"TDE;DDD;11-Dichloro-22-bis(4-chlorophenyl)ethane;Dichlorodiphenyldichloroethane"	"C14H10Cl4"	"317.9537"	"M+K+CF3COOH"	152.95602
"812877"	281.977	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M"	0
"984227"	262.95861	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-H2O-H"	-19.01839
"74657"	186.977390666667	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M-3H"	-3.021828
"505469"	280.969724	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M-3H"	-3.021828
"882176"	92.9850573333333	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-3H"	-3.021828
"5126"	280.969724	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M-2H"	-2.014552
"449063"	421.958224	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M-2H"	-2.014552
"824681"	139.981224	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-2H"	-2.014552
"82485"	562.946724	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M-H"	-1.007276
"523501"	844.923724	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M-H"	-1.007276
"900941"	280.969724	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-H"	-1.007276
"53128"	579.973271	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M-2H+NH4"	16.019271
"487234"	861.950271	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M-2H+NH4"	16.019271
"869760"	297.996271	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-2H+NH4"	16.019271
"34381"	584.928666	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M-2H+Na"	20.974666
"475400"	866.905666	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M-2H+Na"	20.974666
"853932"	302.951666	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-2H+Na"	20.974666
"1630027"	302.951666	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Na-2H"	20.974666
"105099"	298.958063	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M-H+Cl"	33.962126
"546847"	439.946563	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M-H+Cl"	33.962126
"934895"	157.969563	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-H+Cl"	33.962126
"275637"	598.923402	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+Cl"	34.969402
"670245"	880.900402	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+Cl"	34.969402
"1281555"	316.946402	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Cl"	34.969402
"19739"	600.902606	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M-2H+K"	36.948606
"460391"	882.879606	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M-2H+K"	36.948606
"834913"	318.925606	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-2H+K"	36.948606
"1558401"	318.925606	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+K-2H"	36.948606
"946284"	326.975194	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-H+HCOOH"	44.998194
"372155"	608.952201	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+HCOOH-H"	44.998201
"351666"	622.967851	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+Hac-H"	59.013851
"1500499"	340.990851	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Hac-H"	59.013851
"966949"	348.957151	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-H+NaCOOH"	66.980151
"120230"	316.946402	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+2Cl"	69.938804
"563070"	457.934902	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+2Cl"	69.938804
"1031869"	175.957902	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2Cl"	69.938804
"1249262"	360.895885	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Br"	78.918885
"1316083"	362.951872	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Cl+HCOOH"	80.974872
"1327019"	384.933829	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Cl+NaCOOH"	102.956829
"915890"	394.962586	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M-H+CF3COOH"	112.985586
"1300252"	430.939264	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Cl+CF3COOH"	148.962264
"1376227"	246.964324	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H-2H2O"	-35.012676
"1391537"	264.9743	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H-H2O"	-17.0027
"290129"	564.961276	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+H"	1.007276
"684737"	846.938276	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+H"	1.007276
"1358898"	282.984276	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H"	1.007276
"131787"	282.984276	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+2H"	2.014552
"572440"	423.972776	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+2H"	2.014552
"1041243"	141.995776	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2H"	2.014552
"212428"	188.991942666667	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+3H"	3.021828
"653080"	282.984276	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+3H"	3.021828
"1170112"	94.9996093333333	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+3H"	3.021828
"425731"	581.987823	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+NH4"	18.033823
"790009"	863.964823	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+NH4"	18.033823
"1689623"	300.010823	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+NH4"	18.033823
"337904"	291.4975495	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+H+NH4"	19.041099
"734703"	432.4860495	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+H+NH4"	19.041099
"1481961"	150.5090495	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H+NH4"	19.041099
"397363"	586.943218	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+Na"	22.989218
"762732"	868.920218	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+Na"	22.989218
"1615937"	304.966218	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Na"	22.989218
"326336"	293.975247	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+H+Na"	23.996494
"711102"	434.963747	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+H+Na"	23.996494
"1470762"	152.986747	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H+Na"	23.996494
"1060360"	102.326923333333	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2H+Na"	25.00377
"1264956"	315.010486	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+CH3OH+H"	33.033486
"386810"	602.917158	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+K"	38.963158
"745984"	884.894158	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+K"	38.963158
"1545850"	320.940158	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+K"	38.963158
"307401"	301.962217	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+H+K"	39.970434
"698728"	442.950717	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+H+K"	39.970434
"1450365"	160.973717	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H+K"	39.970434
"236779"	605.987826	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+ACN+H"	42.033826
"1210099"	324.010826	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+ACN+H"	42.033826
"1194276"	162.509051	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+ACN+2H"	43.041102
"189033"	608.92516	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+2Na-H"	44.97116
"628568"	890.90216	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+2Na-H"	44.97116
"1131369"	326.94816	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2Na-H"	44.97116
"173688"	304.966218	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+2Na"	45.978436
"612851"	445.954718	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+2Na"	45.978436
"1117488"	163.977718	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2Na"	45.978436
"1401741"	109.654237333333	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H+2Na"	46.985712
"1433492"	328.989746	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H+HCOOH"	47.012746
"220634"	309.99924	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+3H2O+2H"	56.04448
"1508814"	343.04179	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+IsoProp+H"	61.06479
"408910"	312.953188	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+Na+K"	61.952376
"770232"	453.941688	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+Na+K"	61.952376
"1667172"	171.964688	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Na+K"	61.952376
"253692"	627.969768	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+ACN+Na"	64.015768
"1226402"	345.992768	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+ACN+Na"	64.015768
"1718572"	346.016293	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+NH4+HCOOH"	64.039293
"1178644"	116.981551333333	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+3Na"	68.967654
"1651509"	350.971688	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Na+HCOOH"	68.994688
"158980"	640.87304	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+2K-H"	76.91904
"597809"	922.85004	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+2K-H"	76.91904
"1084389"	358.89604	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2K-H"	76.91904
"141564"	320.940158	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"2M+2K"	77.926316
"581855"	461.928658	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"3M+2K"	77.926316
"1068601"	179.951658	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2K"	77.926316
"1100177"	360.910592	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2K+H"	78.933592
"1335839"	360.998207	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+DMSO+H"	79.021207
"1005720"	365.037376	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2ACN+H"	83.060376
"1524929"	366.031008	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+IsoProp+Na+H"	84.054008
"991624"	183.022326	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+2ACN+2H"	84.067652
"1588315"	366.945628	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+K+HCOOH"	84.968628
"1415185"	396.977138	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+H+CF3COOH"	115.000138
"1147542"	203.535601	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+3ACN+2H"	125.094202
"1697820"	414.003685	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+NH4+CF3COOH"	132.026685
"1639308"	418.95908	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+Na+CF3COOH"	136.98208
"1572773"	434.93302	"C06637"	"1-Chloro-22-bis(4-chlorophenyl)ethylene;DDMU"	"C14H9Cl3"	"281.977"	"M+K+CF3COOH"	152.95602
"814081"	283.9926	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M"	0
"985429"	264.97421	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-H2O-H"	-19.01839
"71487"	188.321124	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M-3H"	-3.021828
"506672"	282.985324	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M-3H"	-3.021828
"883380"	93.656924	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-3H"	-3.021828
"8517"	282.985324	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M-2H"	-2.014552
"451361"	424.981624	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M-2H"	-2.014552
"824791"	140.989024	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-2H"	-2.014552
"82594"	566.977924	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M-H"	-1.007276
"529808"	850.970524	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M-H"	-1.007276
"905425"	282.985324	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-H"	-1.007276
"56519"	584.004471	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M-2H+NH4"	16.019271
"490247"	867.997071	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M-2H+NH4"	16.019271
"867684"	300.011871	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-2H+NH4"	16.019271
"38501"	588.959866	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M-2H+Na"	20.974666
"475876"	872.952466	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M-2H+Na"	20.974666
"853678"	304.967266	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-2H+Na"	20.974666
"1629771"	304.967266	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Na-2H"	20.974666
"105210"	300.973663	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M-H+Cl"	33.962126
"545863"	442.969963	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M-H+Cl"	33.962126
"939378"	158.977363	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-H+Cl"	33.962126
"279027"	602.954602	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+Cl"	34.969402
"670355"	886.947202	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+Cl"	34.969402
"1281665"	318.962002	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Cl"	34.969402
"19849"	604.933806	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M-2H+K"	36.948606
"463781"	888.926406	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M-2H+K"	36.948606
"841584"	320.941206	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-2H+K"	36.948606
"1561792"	320.941206	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+K-2H"	36.948606
"951862"	328.990794	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-H+HCOOH"	44.998194
"375548"	612.983401	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+HCOOH-H"	44.998201
"357244"	626.999051	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+Hac-H"	59.013851
"1502796"	343.006451	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Hac-H"	59.013851
"969245"	350.972751	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-H+NaCOOH"	66.980151
"122163"	318.962002	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+2Cl"	69.938804
"562817"	460.958302	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+2Cl"	69.938804
"1036720"	176.965702	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2Cl"	69.938804
"1255932"	362.911485	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Br"	78.918885
"1319720"	364.967472	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Cl+HCOOH"	80.974872
"1334907"	386.949429	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Cl+NaCOOH"	102.956829
"921469"	396.978186	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M-H+CF3COOH"	112.985586
"1301457"	432.954864	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Cl+CF3COOH"	148.962264
"1379620"	248.979924	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H-2H2O"	-35.012676
"1389462"	266.9899	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H-H2O"	-17.0027
"290240"	568.992476	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+H"	1.007276
"683756"	852.985076	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+H"	1.007276
"1360104"	284.999876	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H"	1.007276
"134086"	284.999876	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+2H"	2.014552
"578019"	426.996176	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+2H"	2.014552
"1045731"	143.003576	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2H"	2.014552
"215821"	190.335676	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+3H"	3.021828
"651005"	284.999876	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+3H"	3.021828
"1171318"	95.671476	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+3H"	3.021828
"428031"	586.019023	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+NH4"	18.033823
"793400"	870.011623	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+NH4"	18.033823
"1694109"	302.026423	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+NH4"	18.033823
"340203"	293.5131495	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+H+NH4"	19.041099
"734815"	435.5094495	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+H+NH4"	19.041099
"1489729"	151.5168495	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H+NH4"	19.041099
"400753"	590.974418	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+Na"	22.989218
"763938"	874.967018	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+Na"	22.989218
"1614955"	306.981818	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Na"	22.989218
"326451"	295.990847	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+H+Na"	23.996494
"720328"	437.987147	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+H+Na"	23.996494
"1471238"	153.994547	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H+Na"	23.996494
"1059380"	102.99879	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2H+Na"	25.00377
"1264338"	317.026086	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+CH3OH+H"	33.033486
"382914"	606.948358	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+K"	38.963158
"747190"	890.940958	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+K"	38.963158
"1545231"	322.955758	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+K"	38.963158
"305324"	303.977817	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+H+K"	39.970434
"698841"	445.974117	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+H+K"	39.970434
"1452662"	161.981517	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H+K"	39.970434
"240170"	610.019026	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+ACN+H"	42.033826
"1213242"	326.026426	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+ACN+H"	42.033826
"1195422"	163.516851	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+ACN+2H"	43.041102
"190117"	612.95636	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+2Na-H"	44.97116
"631014"	896.94896	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+2Na-H"	44.97116
"1132331"	328.96376	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2Na-H"	44.97116
"173796"	306.981818	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+2Na"	45.978436
"616646"	448.978118	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+2Na"	45.978436
"1119789"	164.985518	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2Na"	45.978436
"1400758"	110.326104	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H+2Na"	46.985712
"1433603"	331.005346	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H+HCOOH"	47.012746
"221473"	312.01484	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+3H2O+2H"	56.04448
"1509899"	345.05739	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+IsoProp+H"	61.06479
"409954"	314.968788	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+Na+K"	61.952376
"770703"	456.965088	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+Na+K"	61.952376
"1665896"	172.972488	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Na+K"	61.952376
"251810"	632.000968	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+ACN+Na"	64.015768
"1226512"	348.008368	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+ACN+Na"	64.015768
"1712958"	348.031893	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+NH4+HCOOH"	64.039293
"1178639"	117.653418	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+3Na"	68.967654
"1650161"	352.987288	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Na+HCOOH"	68.994688
"157135"	644.90424	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+2K-H"	76.91904
"597922"	928.89684	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+2K-H"	76.91904
"1084326"	360.91164	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2K-H"	76.91904
"141442"	322.955758	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"2M+2K"	77.926316
"582563"	464.952058	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"3M+2K"	77.926316
"1069748"	180.959458	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2K"	77.926316
"1100201"	362.926192	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2K+H"	78.933592
"1335858"	363.013807	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+DMSO+H"	79.021207
"1006059"	367.052976	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2ACN+H"	83.060376
"1524254"	368.046608	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+IsoProp+Na+H"	84.054008
"989973"	184.030126	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+2ACN+2H"	84.067652
"1587694"	368.961228	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+K+HCOOH"	84.968628
"1414687"	398.992738	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+H+CF3COOH"	115.000138
"1147409"	204.543401	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+3ACN+2H"	125.094202
"1698297"	416.019285	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+NH4+CF3COOH"	132.026685
"1634233"	420.97468	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+Na+CF3COOH"	136.98208
"1572517"	436.94862	"C06638"	"1-Chloro-22-bis(4-chlorophenyl)ethane;DDMS"	"C14H11Cl3"	"283.9926"	"M+K+CF3COOH"	152.95602
"814190"	266.0265	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M"	0
"986633"	247.00811	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-H2O-H"	-19.01839
"72688"	176.343724	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M-3H"	-3.021828
"506782"	265.019224	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M-3H"	-3.021828
"886770"	87.668224	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-3H"	-3.021828
"5347"	265.019224	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M-2H"	-2.014552
"449282"	398.032474	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M-2H"	-2.014552
"824899"	132.005974	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-2H"	-2.014552
"81246"	531.045724	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M-H"	-1.007276
"525545"	797.072224	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M-H"	-1.007276
"901525"	265.019224	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-H"	-1.007276
"54442"	548.072271	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M-2H+NH4"	16.019271
"488043"	814.098771	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M-2H+NH4"	16.019271
"867063"	282.045771	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-2H+NH4"	16.019271
"35695"	553.027666	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M-2H+Na"	20.974666
"474527"	819.054166	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M-2H+Na"	20.974666
"853059"	287.001166	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-2H+Na"	20.974666
"1626601"	287.001166	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Na-2H"	20.974666
"103131"	283.007563	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M-H+Cl"	33.962126
"544880"	416.020813	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M-H+Cl"	33.962126
"936207"	149.994313	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-H+Cl"	33.962126
"275858"	567.022402	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+Cl"	34.969402
"668277"	833.048902	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+Cl"	34.969402
"1276307"	300.995902	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Cl"	34.969402
"17042"	569.001606	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M-2H+K"	36.948606
"457326"	835.028106	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M-2H+K"	36.948606
"838414"	302.975106	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-2H+K"	36.948606
"1564090"	302.975106	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+K-2H"	36.948606
"951973"	311.024694	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-H+HCOOH"	44.998194
"372375"	577.051201	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+HCOOH-H"	44.998201
"357354"	591.066851	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+Hac-H"	59.013851
"1505097"	325.040351	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Hac-H"	59.013851
"970085"	333.006651	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-H+NaCOOH"	66.980151
"119357"	300.995902	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+2Cl"	69.938804
"564021"	434.009152	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+2Cl"	69.938804
"1035253"	167.982652	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2Cl"	69.938804
"1255318"	344.945385	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Br"	78.918885
"1318617"	347.001372	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Cl+HCOOH"	80.974872
"1333679"	368.983329	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Cl+NaCOOH"	102.956829
"922673"	379.012086	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M-H+CF3COOH"	112.985586
"1297193"	414.988764	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Cl+CF3COOH"	148.962264
"1380823"	231.013824	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H-2H2O"	-35.012676
"1397226"	249.0238	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H-H2O"	-17.0027
"293630"	533.060276	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+H"	1.007276
"683866"	799.086776	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+H"	1.007276
"1363494"	267.033776	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H"	1.007276
"137476"	267.033776	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+2H"	2.014552
"578129"	400.047026	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+2H"	2.014552
"1050944"	134.020526	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2H"	2.014552
"217026"	178.358276	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+3H"	3.021828
"656219"	267.033776	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+3H"	3.021828
"1170335"	89.682776	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+3H"	3.021828
"431418"	550.086823	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+NH4"	18.033823
"794604"	816.113323	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+NH4"	18.033823
"1687655"	284.060323	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+NH4"	18.033823
"343956"	275.5470495	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+H+NH4"	19.041099
"731644"	408.5602995	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+H+NH4"	19.041099
"1487653"	142.5337995	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H+NH4"	19.041099
"403051"	555.042218	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+Na"	22.989218
"766233"	821.068718	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+Na"	22.989218
"1612145"	289.015718	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Na"	22.989218
"323275"	278.024747	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+H+Na"	23.996494
"719708"	411.037997	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+H+Na"	23.996494
"1468430"	145.011497	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H+Na"	23.996494
"1058394"	97.01009	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2H+Na"	25.00377
"1262262"	299.059986	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+CH3OH+H"	33.033486
"385207"	571.016158	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+K"	38.963158
"746201"	837.042658	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+K"	38.963158
"1548259"	304.989658	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+K"	38.963158
"305798"	286.011717	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+H+K"	39.970434
"697857"	419.024967	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+H+K"	39.970434
"1448396"	152.998467	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H+K"	39.970434
"239916"	574.086826	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+ACN+H"	42.033826
"1211163"	308.060326	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+ACN+H"	42.033826
"1194556"	154.533801	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+ACN+2H"	43.041102
"189489"	577.02416	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+2Na-H"	44.97116
"629787"	843.05066	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+2Na-H"	44.97116
"1132805"	310.99766	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2Na-H"	44.97116
"173906"	289.015718	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+2Na"	45.978436
"615297"	422.028968	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+2Na"	45.978436
"1120627"	156.002468	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2Na"	45.978436
"1399892"	104.337404	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H+2Na"	46.985712
"1431887"	313.039246	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H+HCOOH"	47.012746
"221217"	294.04874	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+3H2O+2H"	56.04448
"1510369"	327.09129	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+IsoProp+H"	61.06479
"410421"	297.002688	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+Na+K"	61.952376
"772517"	430.015938	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+Na+K"	61.952376
"1666659"	163.989438	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Na+K"	61.952376
"252209"	596.068768	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+ACN+Na"	64.015768
"1226617"	330.042268	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+ACN+Na"	64.015768
"1713273"	330.065793	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+NH4+HCOOH"	64.039293
"1178867"	111.664718	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+3Na"	68.967654
"1650149"	335.021188	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Na+HCOOH"	68.994688
"157451"	608.97204	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+2K-H"	76.91904
"598396"	874.99854	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+2K-H"	76.91904
"1084437"	342.94554	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2K-H"	76.91904
"141909"	304.989658	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"2M+2K"	77.926316
"582916"	438.002908	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"3M+2K"	77.926316
"1069253"	171.976408	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2K"	77.926316
"1100435"	344.960092	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2K+H"	78.933592
"1336051"	345.047707	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+DMSO+H"	79.021207
"1007026"	349.086876	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2ACN+H"	83.060376
"1524405"	350.080508	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+IsoProp+Na+H"	84.054008
"990259"	175.047076	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+2ACN+2H"	84.067652
"1592909"	350.995128	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+K+HCOOH"	84.968628
"1421848"	381.026638	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+H+CF3COOH"	115.000138
"1148858"	195.560351	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+3ACN+2H"	125.094202
"1699502"	398.053185	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+NH4+CF3COOH"	132.026685
"1634544"	403.00858	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+Na+CF3COOH"	136.98208
"1576273"	418.98252	"C06639"	"22-Bis(4-chlorophenyl)ethanol;DDOH"	"C14H12Cl2O"	"266.0265"	"M+K+CF3COOH"	152.95602
"816494"	280.0058	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M"	0
"989543"	260.98741	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-H2O-H"	-19.01839
"74987"	185.663257333333	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M-3H"	-3.021828
"510179"	278.998524	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M-3H"	-3.021828
"893449"	92.3279906666667	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-3H"	-3.021828
"12751"	278.998524	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M-2H"	-2.014552
"449396"	419.001424	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M-2H"	-2.014552
"822825"	138.995624	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-2H"	-2.014552
"85004"	559.004324	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M-H"	-1.007276
"520064"	839.010124	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M-H"	-1.007276
"900541"	278.998524	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-H"	-1.007276
"50907"	576.030871	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M-2H+NH4"	16.019271
"491926"	856.036671	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M-2H+NH4"	16.019271
"868269"	296.025071	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-2H+NH4"	16.019271
"34713"	580.986266	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M-2H+Na"	20.974666
"479378"	860.992066	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M-2H+Na"	20.974666
"854996"	300.980466	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-2H+Na"	20.974666
"1625624"	300.980466	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Na-2H"	20.974666
"101058"	296.986863	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M-H+Cl"	33.962126
"541712"	436.989763	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M-H+Cl"	33.962126
"939602"	156.983963	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-H+Cl"	33.962126
"278158"	594.981002	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+Cl"	34.969402
"669484"	874.986802	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+Cl"	34.969402
"1282982"	314.975202	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Cl"	34.969402
"23350"	596.960206	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M-2H+K"	36.948606
"469472"	876.966006	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M-2H+K"	36.948606
"846911"	316.954406	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-2H+K"	36.948606
"1571006"	316.954406	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+K-2H"	36.948606
"957962"	325.003994	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-H+HCOOH"	44.998194
"375766"	605.009801	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+HCOOH-H"	44.998201
"360385"	619.025451	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+Hac-H"	59.013851
"1507639"	339.019651	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Hac-H"	59.013851
"968376"	346.985951	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-H+NaCOOH"	66.980151
"124697"	314.975202	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+2Cl"	69.938804
"563770"	454.978102	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+2Cl"	69.938804
"1036217"	174.972302	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2Cl"	69.938804
"1255429"	358.924685	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Br"	78.918885
"1318973"	360.980672	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Cl+HCOOH"	80.974872
"1334156"	382.962629	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Cl+NaCOOH"	102.956829
"923513"	392.991386	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M-H+CF3COOH"	112.985586
"1303381"	428.968064	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Cl+CF3COOH"	148.962264
"1381543"	244.993124	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H-2H2O"	-35.012676
"1396244"	263.0031	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H-H2O"	-17.0027
"297390"	561.018876	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+H"	1.007276
"685069"	841.024676	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+H"	1.007276
"1365671"	281.013076	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H"	1.007276
"137588"	281.013076	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+2H"	2.014552
"578240"	421.015976	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+2H"	2.014552
"1048138"	141.010176	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2H"	2.014552
"217865"	187.677809333333	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+3H"	3.021828
"656330"	281.013076	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+3H"	3.021828
"1171539"	94.3425426666667	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+3H"	3.021828
"432623"	578.045423	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+NH4"	18.033823
"795809"	858.051223	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+NH4"	18.033823
"1692872"	298.039623	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+NH4"	18.033823
"344431"	289.5263495	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+H+NH4"	19.041099
"737222"	429.5292495	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+H+NH4"	19.041099
"1491773"	149.5234495	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H+NH4"	19.041099
"407535"	583.000818	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+Na"	22.989218
"767438"	863.006618	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+Na"	22.989218
"1617359"	302.995018	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Na"	22.989218
"327395"	292.004047	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+H+Na"	23.996494
"719819"	432.006947	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+H+Na"	23.996494
"1474012"	152.001147	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H+Na"	23.996494
"1060696"	101.669856666667	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2H+Na"	25.00377
"1264561"	313.039286	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+CH3OH+H"	33.033486
"389697"	598.974758	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+K"	38.963158
"749598"	878.980558	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+K"	38.963158
"1548372"	318.968958	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+K"	38.963158
"307736"	299.991017	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+H+K"	39.970434
"703435"	439.993917	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+H+K"	39.970434
"1453975"	159.988117	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H+K"	39.970434
"238932"	602.045426	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+ACN+H"	42.033826
"1214558"	322.039626	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+ACN+H"	42.033826
"1197345"	161.523451	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+ACN+2H"	43.041102
"189607"	604.98276	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+2Na-H"	44.97116
"631965"	884.98856	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+2Na-H"	44.97116
"1142762"	324.97696	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2Na-H"	44.97116
"176937"	302.995018	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+2Na"	45.978436
"616134"	442.997918	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+2Na"	45.978436
"1118185"	162.992118	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2Na"	45.978436
"1403168"	108.997170666667	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H+2Na"	46.985712
"1431270"	327.018546	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H+HCOOH"	47.012746
"223883"	308.02804	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+3H2O+2H"	56.04448
"1508782"	341.07059	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+IsoProp+H"	61.06479
"413089"	310.981988	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+Na+K"	61.952376
"773725"	450.984888	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+Na+K"	61.952376
"1669326"	170.979088	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Na+K"	61.952376
"255847"	624.027368	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+ACN+Na"	64.015768
"1229284"	344.021568	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+ACN+Na"	64.015768
"1718903"	344.045093	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+NH4+HCOOH"	64.039293
"1184259"	116.324484666667	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+3Na"	68.967654
"1656340"	349.000488	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Na+HCOOH"	68.994688
"158340"	636.93064	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+2K-H"	76.91904
"603857"	916.93644	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+2K-H"	76.91904
"1085450"	356.92484	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2K-H"	76.91904
"141770"	318.968958	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"2M+2K"	77.926316
"581536"	458.971858	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"3M+2K"	77.926316
"1070229"	178.966058	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2K"	77.926316
"1105750"	358.939392	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2K+H"	78.933592
"1342133"	359.027007	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+DMSO+H"	79.021207
"1008476"	363.066176	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2ACN+H"	83.060376
"1527696"	364.059808	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+IsoProp+Na+H"	84.054008
"990493"	182.036726	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+2ACN+2H"	84.067652
"1588158"	364.974428	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+K+HCOOH"	84.968628
"1415399"	395.005938	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+H+CF3COOH"	115.000138
"1152248"	202.550001	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+3ACN+2H"	125.094202
"1702893"	412.032485	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+NH4+CF3COOH"	132.026685
"1637451"	416.98788	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+Na+CF3COOH"	136.98208
"1576383"	432.96182	"C06640"	"Bis(4-chlorophenyl)acetate;DDA"	"C14H10Cl2O2"	"280.0058"	"M+K+CF3COOH"	152.95602
"814408"	236.016	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M"	0
"986850"	216.99761	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-H2O-H"	-19.01839
"71814"	156.336724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M-3H"	-3.021828
"509189"	235.008724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M-3H"	-3.021828
"895464"	77.664724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-3H"	-3.021828
"15660"	235.008724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M-2H"	-2.014552
"451691"	353.016724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M-2H"	-2.014552
"831320"	117.000724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-2H"	-2.014552
"90583"	471.024724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M-H"	-1.007276
"525769"	707.040724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M-H"	-1.007276
"903572"	235.008724	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-H"	-1.007276
"54665"	488.051271	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M-2H+NH4"	16.019271
"499694"	724.067271	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M-2H+NH4"	16.019271
"874215"	252.035271	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-2H+NH4"	16.019271
"42115"	493.006666	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M-2H+Na"	20.974666
"485930"	729.022666	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M-2H+Na"	20.974666
"859481"	256.990666	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-2H+Na"	20.974666
"1632295"	256.990666	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Na-2H"	20.974666
"104448"	252.997063	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M-H+Cl"	33.962126
"547291"	371.005063	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M-H+Cl"	33.962126
"938619"	134.989063	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-H+Cl"	33.962126
"279362"	507.001402	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+Cl"	34.969402
"672875"	743.017402	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+Cl"	34.969402
"1285279"	270.985402	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Cl"	34.969402
"26741"	508.980606	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M-2H+K"	36.948606
"469582"	744.996606	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M-2H+K"	36.948606
"847021"	272.964606	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-2H+K"	36.948606
"1569778"	272.964606	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+K-2H"	36.948606
"958029"	281.014194	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-H+HCOOH"	44.998194
"375878"	517.030201	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+HCOOH-H"	44.998201
"360624"	531.045851	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+Hac-H"	59.013851
"1508242"	295.029851	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Hac-H"	59.013851
"973225"	302.996151	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-H+NaCOOH"	66.980151
"125538"	270.985402	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+2Cl"	69.938804
"565217"	388.993402	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+2Cl"	69.938804
"1036324"	152.977402	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2Cl"	69.938804
"1256633"	314.934885	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Br"	78.918885
"1317620"	316.990872	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Cl+HCOOH"	80.974872
"1333658"	338.972829	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Cl+NaCOOH"	102.956829
"922530"	349.001586	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M-H+CF3COOH"	112.985586
"1302883"	384.978264	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Cl+CF3COOH"	148.962264
"1381896"	201.003324	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H-2H2O"	-35.012676
"1396354"	219.0133	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H-H2O"	-17.0027
"297990"	473.039276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+H"	1.007276
"686273"	709.055276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+H"	1.007276
"1364809"	237.023276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H"	1.007276
"136605"	237.023276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+2H"	2.014552
"577257"	355.031276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+2H"	2.014552
"1048248"	119.015276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2H"	2.014552
"217247"	158.351276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+3H"	3.021828
"657536"	237.023276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+3H"	3.021828
"1175537"	79.679276	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+3H"	3.021828
"434920"	490.065823	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+NH4"	18.033823
"797742"	726.081823	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+NH4"	18.033823
"1686785"	254.049823	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+NH4"	18.033823
"341989"	245.5365495	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+H+NH4"	19.041099
"737335"	363.5445495	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+H+NH4"	19.041099
"1490791"	127.5285495	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H+NH4"	19.041099
"407648"	495.021218	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+Na"	22.989218
"768643"	731.037218	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+Na"	22.989218
"1618038"	259.005218	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Na"	22.989218
"326412"	248.014247	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+H+Na"	23.996494
"720293"	366.022247	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+H+Na"	23.996494
"1474120"	130.006247	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H+Na"	23.996494
"1065179"	87.00659	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2H+Na"	25.00377
"1270139"	269.049486	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+CH3OH+H"	33.033486
"389806"	510.995158	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+K"	38.963158
"750799"	747.011158	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+K"	38.963158
"1553947"	274.979158	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+K"	38.963158
"309669"	256.001217	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+H+K"	39.970434
"700268"	374.009217	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+H+K"	39.970434
"1455182"	137.993217	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H+K"	39.970434
"243785"	514.065826	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+ACN+H"	42.033826
"1218679"	278.049826	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+ACN+H"	42.033826
"1202561"	139.528551	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+ACN+2H"	43.041102
"193610"	517.00316	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+2Na-H"	44.97116
"630251"	753.01916	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+2Na-H"	44.97116
"1142872"	280.98716	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2Na-H"	44.97116
"175590"	259.005218	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+2Na"	45.978436
"614422"	377.013218	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+2Na"	45.978436
"1118660"	140.997218	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2Na"	45.978436
"1403279"	94.333904	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H+2Na"	46.985712
"1432114"	283.028746	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H+HCOOH"	47.012746
"222539"	264.03824	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+3H2O+2H"	56.04448
"1508648"	297.08079	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+IsoProp+H"	61.06479
"410281"	266.992188	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+Na+K"	61.952376
"774197"	385.000188	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+Na+K"	61.952376
"1668708"	148.984188	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Na+K"	61.952376
"256322"	536.047768	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+ACN+Na"	64.015768
"1231218"	300.031768	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+ACN+Na"	64.015768
"1723388"	300.055293	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+NH4+HCOOH"	64.039293
"1189837"	101.661218	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+3Na"	68.967654
"1659732"	305.010688	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Na+HCOOH"	68.994688
"165502"	548.95104	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+2K-H"	76.91904
"607248"	784.96704	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+2K-H"	76.91904
"1088480"	312.93504	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2K-H"	76.91904
"142741"	274.979158	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"2M+2K"	77.926316
"584856"	392.987158	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"3M+2K"	77.926316
"1071556"	156.971158	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2K"	77.926316
"1108046"	314.949592	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2K+H"	78.933592
"1342245"	315.037207	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+DMSO+H"	79.021207
"1012960"	319.076376	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2ACN+H"	83.060376
"1529993"	320.070008	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+IsoProp+Na+H"	84.054008
"992067"	160.041826	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+2ACN+2H"	84.067652
"1592038"	320.984628	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+K+HCOOH"	84.968628
"1423166"	351.016138	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+H+CF3COOH"	115.000138
"1154545"	180.555101	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+3ACN+2H"	125.094202
"1703003"	368.042685	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+NH4+CF3COOH"	132.026685
"1637561"	372.99808	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+Na+CF3COOH"	136.98208
"1576493"	388.97202	"C06641"	"Bis(4-chlorophenyl)methane;DDM"	"C13H10Cl2"	"236.016"	"M+K+CF3COOH"	152.95602
"814518"	248.016	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M"	0
"984773"	228.99761	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-H2O-H"	-19.01839
"71925"	164.336724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M-3H"	-3.021828
"510393"	247.008724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M-3H"	-3.021828
"891476"	81.664724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-3H"	-3.021828
"11149"	247.008724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M-2H"	-2.014552
"451802"	371.016724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M-2H"	-2.014552
"821952"	123.000724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-2H"	-2.014552
"86318"	495.024724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M-H"	-1.007276
"519194"	743.040724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M-H"	-1.007276
"899306"	247.008724	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-H"	-1.007276
"48942"	512.051271	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M-2H+NH4"	16.019271
"491418"	760.067271	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M-2H+NH4"	16.019271
"871041"	264.035271	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-2H+NH4"	16.019271
"33840"	517.006666	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M-2H+Na"	20.974666
"476681"	765.022666	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M-2H+Na"	20.974666
"860681"	268.990666	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-2H+Na"	20.974666
"1626935"	268.990666	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Na-2H"	20.974666
"97269"	264.997063	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M-H+Cl"	33.962126
"541932"	389.005063	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M-H+Cl"	33.962126
"934354"	140.989063	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-H+Cl"	33.962126
"277283"	531.001402	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+Cl"	34.969402
"666424"	779.017402	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+Cl"	34.969402
"1283201"	282.985402	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Cl"	34.969402
"23570"	532.980606	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M-2H+K"	36.948606
"459849"	780.996606	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M-2H+K"	36.948606
"834370"	284.964606	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-2H+K"	36.948606
"1563326"	284.964606	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+K-2H"	36.948606
"953397"	293.014194	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-H+HCOOH"	44.998194
"369425"	541.030201	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+HCOOH-H"	44.998201
"350028"	555.045851	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+Hac-H"	59.013851
"1507857"	307.029851	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Hac-H"	59.013851
"972970"	314.996151	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-H+NaCOOH"	66.980151
"124187"	282.985402	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+2Cl"	69.938804
"564841"	406.993402	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+2Cl"	69.938804
"1036434"	158.977402	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2Cl"	69.938804
"1256010"	326.934885	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Br"	78.918885
"1316635"	328.990872	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Cl+HCOOH"	80.974872
"1331945"	350.972829	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Cl+NaCOOH"	102.956829
"923003"	361.001586	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M-H+CF3COOH"	112.985586
"1298618"	396.978264	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Cl+CF3COOH"	148.962264
"1382005"	213.003324	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H-2H2O"	-35.012676
"1395369"	231.0133	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H-H2O"	-17.0027
"291775"	497.039276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+H"	1.007276
"683103"	745.055276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+H"	1.007276
"1365893"	249.023276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H"	1.007276
"136715"	249.023276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+2H"	2.014552
"578463"	373.031276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+2H"	2.014552
"1048358"	125.015276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2H"	2.014552
"218448"	166.351276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+3H"	3.021828
"656914"	249.023276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+3H"	3.021828
"1175039"	83.679276	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+3H"	3.021828
"433936"	514.065823	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+NH4"	18.033823
"796759"	762.081823	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+NH4"	18.033823
"1686895"	266.049823	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+NH4"	18.033823
"334079"	257.5365495	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+H+NH4"	19.041099
"736960"	381.5445495	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+H+NH4"	19.041099
"1491630"	133.5285495	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H+NH4"	19.041099
"406665"	519.021218	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+Na"	22.989218
"768754"	767.037218	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+Na"	22.989218
"1615760"	271.005218	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Na"	22.989218
"325795"	260.014247	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+H+Na"	23.996494
"718217"	384.022247	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+H+Na"	23.996494
"1474230"	136.006247	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H+Na"	23.996494
"1066382"	91.00659	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2H+Na"	25.00377
"1270249"	281.049486	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+CH3OH+H"	33.033486
"389916"	534.995158	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+K"	38.963158
"749816"	783.011158	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+K"	38.963158
"1551871"	286.979158	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+K"	38.963158
"310144"	268.001217	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+H+K"	39.970434
"702929"	392.009217	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+H+K"	39.970434
"1456387"	143.993217	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H+K"	39.970434
"242802"	538.065826	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+ACN+H"	42.033826
"1216603"	290.049826	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+ACN+H"	42.033826
"1204858"	145.528551	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+ACN+2H"	43.041102
"193720"	541.00316	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+2Na-H"	44.97116
"636197"	789.01916	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+2Na-H"	44.97116
"1132776"	292.98716	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2Na-H"	44.97116
"174483"	271.005218	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+2Na"	45.978436
"614898"	395.013218	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+2Na"	45.978436
"1118890"	146.997218	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2Na"	45.978436
"1403027"	98.333904	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H+2Na"	46.985712
"1431861"	295.028746	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H+HCOOH"	47.012746
"229211"	276.03824	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+3H2O+2H"	56.04448
"1508838"	309.08079	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+IsoProp+H"	61.06479
"412215"	278.992188	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+Na+K"	61.952376
"773577"	403.000188	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+Na+K"	61.952376
"1671006"	154.984188	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Na+K"	61.952376
"257527"	560.047768	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+ACN+Na"	64.015768
"1231329"	312.031768	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+ACN+Na"	64.015768
"1721311"	312.055293	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+NH4+HCOOH"	64.039293
"1188854"	105.661218	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+3Na"	68.967654
"1660934"	317.010688	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Na+HCOOH"	68.994688
"165611"	572.95104	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+2K-H"	76.91904
"606265"	820.96704	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+2K-H"	76.91904
"1086767"	324.93504	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2K-H"	76.91904
"144311"	286.979158	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"2M+2K"	77.926316
"584966"	410.987158	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"3M+2K"	77.926316
"1074946"	162.971158	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2K"	77.926316
"1107062"	326.949592	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2K+H"	78.933592
"1344540"	327.037207	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+DMSO+H"	79.021207
"1011979"	331.076376	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2ACN+H"	83.060376
"1530104"	332.070008	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+IsoProp+Na+H"	84.054008
"991448"	166.041826	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+2ACN+2H"	84.067652
"1593242"	332.984628	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+K+HCOOH"	84.968628
"1421089"	363.016138	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+H+CF3COOH"	115.000138
"1153564"	186.555101	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+3ACN+2H"	125.094202
"1703113"	380.042685	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+NH4+CF3COOH"	132.026685
"1637671"	384.99808	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+Na+CF3COOH"	136.98208
"1574416"	400.97202	"C06642"	"unsym-Bis(4-chlorophenyl)ethylene;DDNU"	"C14H10Cl2"	"248.016"	"M+K+CF3COOH"	152.95602
"815721"	249.9952	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M"	0
"989259"	230.97681	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-H2O-H"	-19.01839
"73127"	165.656190666667	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M-3H"	-3.021828
"508315"	248.987924	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M-3H"	-3.021828
"891586"	82.3244573333333	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-3H"	-3.021828
"9072"	248.987924	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M-2H"	-2.014552
"449726"	373.985524	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M-2H"	-2.014552
"825342"	123.990324	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-2H"	-2.014552
"82053"	498.983124	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M-H"	-1.007276
"522708"	748.978324	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M-H"	-1.007276
"899416"	248.987924	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-H"	-1.007276
"49780"	516.009671	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M-2H+NH4"	16.019271
"493350"	766.004871	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M-2H+NH4"	16.019271
"868235"	266.014471	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-2H+NH4"	16.019271
"35406"	520.965066	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M-2H+Na"	20.974666
"476428"	770.960266	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M-2H+Na"	20.974666
"858604"	270.969866	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-2H+Na"	20.974666
"1625952"	270.969866	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Na-2H"	20.974666
"100295"	266.976263	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M-H+Cl"	33.962126
"540949"	391.973863	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M-H+Cl"	33.962126
"934464"	141.978663	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-H+Cl"	33.962126
"271926"	534.959802	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+Cl"	34.969402
"665441"	784.955002	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+Cl"	34.969402
"1281125"	284.964602	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Cl"	34.969402
"26960"	536.939006	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M-2H+K"	36.948606
"461053"	786.934206	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M-2H+K"	36.948606
"838853"	286.943806	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-2H+K"	36.948606
"1561249"	286.943806	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+K-2H"	36.948606
"949134"	294.993394	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-H+HCOOH"	44.998194
"365161"	544.988601	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+HCOOH-H"	44.998201
"351230"	559.004251	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+Hac-H"	59.013851
"1508382"	309.009051	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Hac-H"	59.013851
"974016"	316.975351	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-H+NaCOOH"	66.980151
"123081"	284.964602	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+2Cl"	69.938804
"564829"	409.962202	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+2Cl"	69.938804
"1036301"	159.967002	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2Cl"	69.938804
"1255635"	328.914085	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Br"	78.918885
"1314558"	330.970072	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Cl+HCOOH"	80.974872
"1327680"	352.952029	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Cl+NaCOOH"	102.956829
"919832"	362.980786	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M-H+CF3COOH"	112.985586
"1297634"	398.957464	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Cl+CF3COOH"	148.962264
"1381263"	214.982524	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H-2H2O"	-35.012676
"1395478"	232.9925	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H-H2O"	-17.0027
"296258"	500.997676	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+H"	1.007276
"690746"	750.992876	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+H"	1.007276
"1366002"	251.002476	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H"	1.007276
"140471"	251.002476	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+2H"	2.014552
"581295"	376.000076	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+2H"	2.014552
"1050654"	126.004876	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2H"	2.014552
"216370"	167.670742666667	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+3H"	3.021828
"654837"	251.002476	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+3H"	3.021828
"1176243"	84.3390093333333	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+3H"	3.021828
"437325"	518.024223	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+NH4"	18.033823
"796139"	768.019423	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+NH4"	18.033823
"1687368"	268.029023	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+NH4"	18.033823
"335281"	259.5157495	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+H+NH4"	19.041099
"735731"	384.5133495	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+H+NH4"	19.041099
"1486999"	134.5181495	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H+NH4"	19.041099
"406048"	522.979618	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+Na"	22.989218
"764490"	772.974818	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+Na"	22.989218
"1612955"	272.984418	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Na"	22.989218
"324812"	261.993447	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+H+Na"	23.996494
"718327"	386.991047	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+H+Na"	23.996494
"1472157"	136.995847	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H+Na"	23.996494
"1061759"	91.6663233333333	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2H+Na"	25.00377
"1268173"	283.028686	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+CH3OH+H"	33.033486
"385292"	538.953558	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+K"	38.963158
"748833"	788.948758	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+K"	38.963158
"1548339"	288.958358	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+K"	38.963158
"305882"	269.980417	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+H+K"	39.970434
"698303"	394.978017	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+H+K"	39.970434
"1453217"	144.982817	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H+K"	39.970434
"239995"	542.024226	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+ACN+H"	42.033826
"1212702"	292.029026	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+ACN+H"	42.033826
"1200595"	146.518151	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+ACN+2H"	43.041102
"189008"	544.96156	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+2Na-H"	44.97116
"636308"	794.95676	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+2Na-H"	44.97116
"1133366"	294.96636	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2Na-H"	44.97116
"176176"	272.984418	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+2Na"	45.978436
"615368"	397.982018	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+2Na"	45.978436
"1118149"	147.986818	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2Na"	45.978436
"1400218"	98.9936373333333	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H+2Na"	46.985712
"1432330"	297.007946	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H+HCOOH"	47.012746
"230414"	278.01744	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+3H2O+2H"	56.04448
"1512275"	311.05999	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+IsoProp+H"	61.06479
"411229"	280.971388	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+Na+K"	61.952376
"775876"	405.968988	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+Na+K"	61.952376
"1672210"	155.973788	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Na+K"	61.952376
"258730"	564.006168	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+ACN+Na"	64.015768
"1232533"	314.010968	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+ACN+Na"	64.015768
"1718505"	314.034493	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+NH4+HCOOH"	64.039293
"1192002"	106.320951333333	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+3Na"	68.967654
"1657764"	318.989888	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Na+HCOOH"	68.994688
"166814"	576.90944	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+2K-H"	76.91904
"605282"	826.90464	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+2K-H"	76.91904
"1087607"	326.91424	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2K-H"	76.91904
"145516"	288.958358	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"2M+2K"	77.926316
"583253"	413.955958	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"3M+2K"	77.926316
"1071776"	163.960758	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2K"	77.926316
"1104985"	328.928792	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2K+H"	78.933592
"1339183"	329.016407	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+DMSO+H"	79.021207
"1015369"	333.055576	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2ACN+H"	83.060376
"1530214"	334.049208	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+IsoProp+Na+H"	84.054008
"994474"	167.031426	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+2ACN+2H"	84.067652
"1592259"	334.963828	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+K+HCOOH"	84.968628
"1419012"	364.995338	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+H+CF3COOH"	115.000138
"1153674"	187.544701	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+3ACN+2H"	125.094202
"1697756"	382.021885	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+NH4+CF3COOH"	132.026685
"1635228"	386.97728	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+Na+CF3COOH"	136.98208
"1573432"	402.95122	"C06643"	"44-Dichlorobenzophenone;DBP"	"C13H8Cl2O"	"249.9952"	"M+K+CF3COOH"	152.95602
"814738"	347.9278	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M"	0
"988274"	328.90941	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-H2O-H"	-19.01839
"73239"	230.944590666667	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M-3H"	-3.021828
"508426"	346.920524	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M-3H"	-3.021828
"894614"	114.968657333333	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-3H"	-3.021828
"13556"	346.920524	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M-2H"	-2.014552
"453116"	520.884424	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M-2H"	-2.014552
"825452"	172.956624	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-2H"	-2.014552
"85443"	694.848324	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M-H"	-1.007276
"523911"	1042.776124	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M-H"	-1.007276
"900621"	346.920524	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-H"	-1.007276
"51713"	711.874871	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M-2H+NH4"	16.019271
"491273"	1059.802671	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M-2H+NH4"	16.019271
"870169"	363.947071	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-2H+NH4"	16.019271
"35152"	716.830266	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M-2H+Na"	20.974666
"477633"	1064.758066	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M-2H+Na"	20.974666
"857622"	368.902466	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-2H+Na"	20.974666
"1622782"	368.902466	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Na-2H"	20.974666
"97125"	364.908863	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M-H+Cl"	33.962126
"538872"	538.872763	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M-H+Cl"	33.962126
"930200"	190.944963	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-H+Cl"	33.962126
"272036"	730.825002	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+Cl"	34.969402
"665551"	1078.752802	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+Cl"	34.969402
"1281234"	382.897202	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Cl"	34.969402
"24884"	732.804206	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M-2H+K"	36.948606
"461163"	1080.732006	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M-2H+K"	36.948606
"838963"	384.876406	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-2H+K"	36.948606
"1561359"	384.876406	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+K-2H"	36.948606
"949244"	392.925994	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-H+HCOOH"	44.998194
"367457"	740.853801	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+HCOOH-H"	44.998201
"349153"	754.869451	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+Hac-H"	59.013851
"1503458"	406.941651	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Hac-H"	59.013851
"972825"	414.907951	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-H+NaCOOH"	66.980151
"124649"	382.897202	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+2Cl"	69.938804
"563844"	556.861102	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+2Cl"	69.938804
"1035921"	208.933302	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2Cl"	69.938804
"1255868"	426.846685	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Br"	78.918885
"1319042"	428.902672	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Cl+HCOOH"	80.974872
"1333987"	450.884629	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Cl+NaCOOH"	102.956829
"919942"	460.913386	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M-H+CF3COOH"	112.985586
"1297744"	496.890064	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Cl+CF3COOH"	148.962264
"1379186"	312.915124	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H-2H2O"	-35.012676
"1390121"	330.9251	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H-H2O"	-17.0027
"295275"	696.862876	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+H"	1.007276
"690573"	1044.790676	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+H"	1.007276
"1364048"	348.935076	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H"	1.007276
"138395"	348.935076	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+2H"	2.014552
"576494"	522.898976	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+2H"	2.014552
"1049670"	174.971176	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2H"	2.014552
"216480"	232.959142666667	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+3H"	3.021828
"653854"	348.935076	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+3H"	3.021828
"1176231"	116.983209333333	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+3H"	3.021828
"436342"	713.889423	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+NH4"	18.033823
"796248"	1061.817223	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+NH4"	18.033823
"1689300"	365.961623	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+NH4"	18.033823
"337576"	357.4483495	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+H+NH4"	19.041099
"735111"	531.4122495	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+H+NH4"	19.041099
"1489295"	183.4844495	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H+NH4"	19.041099
"405428"	718.844818	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+Na"	22.989218
"764236"	1066.772618	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+Na"	22.989218
"1615616"	370.917018	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Na"	22.989218
"326016"	359.926047	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+H+Na"	23.996494
"717341"	533.889947	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+H+Na"	23.996494
"1472631"	185.962147	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H+Na"	23.996494
"1062234"	124.310523333333	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2H+Na"	25.00377
"1267190"	380.961286	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+CH3OH+H"	33.033486
"385403"	734.818758	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+K"	38.963158
"750036"	1082.746558	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+K"	38.963158
"1547721"	386.890958	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+K"	38.963158
"304898"	367.913017	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+H+K"	39.970434
"699506"	541.876917	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+H+K"	39.970434
"1457701"	193.949117	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H+K"	39.970434
"239741"	737.889426	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+ACN+H"	42.033826
"1214636"	389.961626	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+ACN+H"	42.033826
"1198518"	195.484451	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+ACN+2H"	43.041102
"191388"	740.82676	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+2Na-H"	44.97116
"636417"	1088.75456	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+2Na-H"	44.97116
"1132870"	392.89896	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2Na-H"	44.97116
"175192"	370.917018	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+2Na"	45.978436
"614139"	544.880918	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+2Na"	45.978436
"1117895"	196.953118	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2Na"	45.978436
"1404340"	131.637837333333	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H+2Na"	46.985712
"1436454"	394.940546	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H+HCOOH"	47.012746
"229431"	375.95004	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+3H2O+2H"	56.04448
"1510195"	408.99259	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+IsoProp+H"	61.06479
"409516"	378.903988	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+Na+K"	61.952376
"773434"	552.867888	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+Na+K"	61.952376
"1670130"	204.940088	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Na+K"	61.952376
"261026"	759.871368	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+ACN+Na"	64.015768
"1232643"	411.943568	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+ACN+Na"	64.015768
"1719343"	411.967093	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+NH4+HCOOH"	64.039293
"1185792"	138.965151333333	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+3Na"	68.967654
"1660059"	416.922488	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Na+HCOOH"	68.994688
"169108"	772.77464	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+2K-H"	76.91904
"609763"	1120.70244	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+2K-H"	76.91904
"1089904"	424.84684	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2K-H"	76.91904
"144533"	386.890958	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"2M+2K"	77.926316
"585551"	560.854858	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"3M+2K"	77.926316
"1074074"	212.927058	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2K"	77.926316
"1107284"	426.861392	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2K+H"	78.933592
"1342573"	426.949007	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+DMSO+H"	79.021207
"1010015"	430.988176	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2ACN+H"	83.060376
"1531417"	431.981808	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+IsoProp+Na+H"	84.054008
"994584"	215.997726	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+2ACN+2H"	84.067652
"1594556"	432.896428	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+K+HCOOH"	84.968628
"1420215"	462.927938	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+H+CF3COOH"	115.000138
"1150504"	236.511001	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+3ACN+2H"	125.094202
"1698955"	479.954485	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+NH4+CF3COOH"	132.026685
"1635704"	484.90988	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+Na+CF3COOH"	136.98208
"1573543"	500.88382	"C06644"	"11-Dichloro-2-(dihydroxy-4-chlorophenyl)-2-(4-chlorophenyl)ethylene"	"C14H8Cl4O2"	"347.9278"	"M+K+CF3COOH"	152.95602
"812662"	379.9177	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M"	0
"989476"	360.89931	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-H2O-H"	-19.01839
"71158"	252.271190666667	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M-3H"	-3.021828
"515825"	378.910424	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M-3H"	-3.021828
"893993"	125.631957333333	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-3H"	-3.021828
"15646"	378.910424	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M-2H"	-2.014552
"455338"	568.869274	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M-2H"	-2.014552
"832124"	188.951574	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-2H"	-2.014552
"89929"	758.828124	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M-H"	-1.007276
"520742"	1138.745824	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M-H"	-1.007276
"898545"	378.910424	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-H"	-1.007276
"50002"	775.854671	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M-2H+NH4"	16.019271
"500131"	1155.772371	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M-2H+NH4"	16.019271
"871373"	395.936971	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-2H+NH4"	16.019271
"41459"	780.810066	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M-2H+Na"	20.974666
"485397"	1160.727766	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M-2H+Na"	20.974666
"861743"	400.892366	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-2H+Na"	20.974666
"1631276"	400.892366	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Na-2H"	20.974666
"101609"	396.898763	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M-H+Cl"	33.962126
"544449"	586.857613	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M-H+Cl"	33.962126
"935777"	206.939913	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-H+Cl"	33.962126
"271053"	794.804802	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+Cl"	34.969402
"670034"	1174.722502	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+Cl"	34.969402
"1280251"	414.887102	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Cl"	34.969402
"26087"	796.784006	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M-2H+K"	36.948606
"463459"	1176.701706	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M-2H+K"	36.948606
"841260"	416.866306	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-2H+K"	36.948606
"1564750"	416.866306	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+K-2H"	36.948606
"954821"	424.915894	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-H+HCOOH"	44.998194
"370847"	804.833601	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+HCOOH-H"	44.998201
"352543"	818.849251	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+Hac-H"	59.013851
"1508410"	438.931551	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Hac-H"	59.013851
"972568"	446.897851	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-H+NaCOOH"	66.980151
"125685"	414.887102	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+2Cl"	69.938804
"564197"	604.845952	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+2Cl"	69.938804
"1036763"	224.928252	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2Cl"	69.938804
"1256979"	458.836585	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Br"	78.918885
"1319154"	460.892572	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Cl+HCOOH"	80.974872
"1331181"	482.874529	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Cl+NaCOOH"	102.956829
"920051"	492.903286	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M-H+CF3COOH"	112.985586
"1301134"	528.879964	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Cl+CF3COOH"	148.962264
"1377109"	344.905024	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H-2H2O"	-35.012676
"1394604"	362.915	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H-H2O"	-17.0027
"294291"	760.842676	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+H"	1.007276
"691254"	1140.760376	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+H"	1.007276
"1366589"	380.924976	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H"	1.007276
"140327"	380.924976	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+2H"	2.014552
"580497"	570.883826	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+2H"	2.014552
"1048686"	190.966126	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2H"	2.014552
"216590"	254.285742666667	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+3H"	3.021828
"656152"	380.924976	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+3H"	3.021828
"1175736"	127.646509333333	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+3H"	3.021828
"436452"	777.869223	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+NH4"	18.033823
"793440"	1157.786923	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+NH4"	18.033823
"1688317"	397.951523	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+NH4"	18.033823
"336594"	389.4382495	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+H+NH4"	19.041099
"735950"	579.3970995	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+H+NH4"	19.041099
"1489771"	199.4793995	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H+NH4"	19.041099
"406998"	782.824618	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+Na"	22.989218
"766529"	1162.742318	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+Na"	22.989218
"1617183"	402.906918	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Na"	22.989218
"326854"	391.915947	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+H+Na"	23.996494
"717451"	581.874797	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+H+Na"	23.996494
"1475288"	201.957097	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H+Na"	23.996494
"1067440"	134.973823333333	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2H+Na"	25.00377
"1272158"	412.951186	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+CH3OH+H"	33.033486
"391829"	798.798558	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+K"	38.963158
"750145"	1178.716258	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+K"	38.963158
"1552200"	418.880858	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+K"	38.963158
"312295"	399.902917	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+H+K"	39.970434
"705444"	589.861767	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+H+K"	39.970434
"1457810"	209.944067	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H+K"	39.970434
"247504"	801.869226	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+ACN+H"	42.033826
"1219118"	421.951526	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+ACN+H"	42.033826
"1204096"	211.479401	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+ACN+2H"	43.041102
"195874"	804.80656	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+2Na-H"	44.97116
"631060"	1184.72426	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+2Na-H"	44.97116
"1135293"	424.88886	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2Na-H"	44.97116
"174937"	402.906918	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+2Na"	45.978436
"615591"	592.865768	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+2Na"	45.978436
"1119831"	212.948068	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2Na"	45.978436
"1408825"	142.301137333333	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H+2Na"	46.985712
"1436566"	426.930446	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H+HCOOH"	47.012746
"231727"	407.93994	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+3H2O+2H"	56.04448
"1510307"	440.98249	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+IsoProp+H"	61.06479
"409995"	410.893888	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+Na+K"	61.952376
"772815"	600.852738	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+Na+K"	61.952376
"1670240"	220.935038	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Na+K"	61.952376
"263322"	823.851168	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+ACN+Na"	64.015768
"1233846"	443.933468	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+ACN+Na"	64.015768
"1723827"	443.956993	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+NH4+HCOOH"	64.039293
"1188089"	149.628451333333	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+3Na"	68.967654
"1663328"	448.912388	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Na+HCOOH"	68.994688
"172016"	836.75444	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+2K-H"	76.91904
"610966"	1216.67214	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+2K-H"	76.91904
"1095481"	456.83674	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2K-H"	76.91904
"145737"	418.880858	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"2M+2K"	77.926316
"586391"	608.839708	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"3M+2K"	77.926316
"1075279"	228.922008	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2K"	77.926316
"1109581"	458.851292	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2K+H"	78.933592
"1344871"	458.938907	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+DMSO+H"	79.021207
"1011217"	462.978076	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2ACN+H"	83.060376
"1529341"	463.971708	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+IsoProp+Na+H"	84.054008
"994694"	231.992676	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+2ACN+2H"	84.067652
"1594665"	464.886328	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+K+HCOOH"	84.968628
"1420325"	494.917838	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+H+CF3COOH"	115.000138
"1150614"	252.505951	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+3ACN+2H"	125.094202
"1697731"	511.944385	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+NH4+CF3COOH"	132.026685
"1636907"	516.89978	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+Na+CF3COOH"	136.98208
"1572559"	532.87372	"C06645"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-388-trichloroocta-2E4E7E-trienoate"	"C14H8Cl4O4"	"379.9177"	"M+K+CF3COOH"	152.95602
"814958"	249.9355	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M"	0
"986306"	230.91711	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-H2O-H"	-19.01839
"73455"	165.616390666667	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M-3H"	-3.021828
"514114"	248.928224	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M-3H"	-3.021828
"894469"	82.3045573333333	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-3H"	-3.021828
"15198"	248.928224	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M-2H"	-2.014552
"454716"	373.895974	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M-2H"	-2.014552
"827860"	123.960474	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-2H"	-2.014552
"92227"	498.863724	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M-H"	-1.007276
"526321"	748.799224	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M-H"	-1.007276
"900842"	248.928224	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-H"	-1.007276
"60440"	515.890271	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M-2H+NH4"	16.019271
"502747"	765.825771	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M-2H+NH4"	16.019271
"878044"	265.954771	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-2H+NH4"	16.019271
"45216"	520.845666	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M-2H+Na"	20.974666
"484414"	770.781166	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M-2H+Na"	20.974666
"860030"	270.910166	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-2H+Na"	20.974666
"1634049"	270.910166	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Na-2H"	20.974666
"106093"	266.916563	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M-H+Cl"	33.962126
"543466"	391.884313	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M-H+Cl"	33.962126
"936981"	141.948813	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-H+Cl"	33.962126
"276630"	534.840402	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+Cl"	34.969402
"667958"	784.775902	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+Cl"	34.969402
"1282548"	284.904902	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Cl"	34.969402
"26197"	536.819606	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M-2H+K"	36.948606
"463570"	786.755106	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M-2H+K"	36.948606
"842465"	286.884106	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-2H+K"	36.948606
"1564859"	286.884106	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+K-2H"	36.948606
"954931"	294.933694	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-H+HCOOH"	44.998194
"370959"	544.869201	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+HCOOH-H"	44.998201
"358123"	558.884851	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+Hac-H"	59.013851
"1502583"	308.949351	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Hac-H"	59.013851
"972921"	316.915651	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-H+NaCOOH"	66.980151
"125233"	284.904902	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+2Cl"	69.938804
"564671"	409.872652	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+2Cl"	69.938804
"1036508"	159.937152	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2Cl"	69.938804
"1256943"	328.854385	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Br"	78.918885
"1318169"	330.910372	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Cl+HCOOH"	80.974872
"1328010"	352.892329	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Cl+NaCOOH"	102.956829
"916881"	362.921086	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M-H+CF3COOH"	112.985586
"1301244"	398.897764	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Cl+CF3COOH"	148.962264
"1377219"	214.922824	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H-2H2O"	-35.012676
"1390341"	232.9328	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H-H2O"	-17.0027
"295496"	500.878276	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+H"	1.007276
"690834"	750.813776	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+H"	1.007276
"1366088"	250.942776	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H"	1.007276
"141333"	250.942776	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+2H"	2.014552
"577807"	375.910526	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+2H"	2.014552
"1049888"	125.975026	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2H"	2.014552
"216700"	167.630942666667	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+3H"	3.021828
"654074"	250.942776	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+3H"	3.021828
"1174385"	84.3191093333333	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+3H"	3.021828
"434378"	517.904823	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+NH4"	18.033823
"792457"	767.840323	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+NH4"	18.033823
"1690613"	267.969323	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+NH4"	18.033823
"334517"	259.4560495	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+H+NH4"	19.041099
"734600"	384.4237995	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+H+NH4"	19.041099
"1488422"	134.4882995	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H+NH4"	19.041099
"407104"	522.860218	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+Na"	22.989218
"765912"	772.795718	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+Na"	22.989218
"1611823"	272.924718	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Na"	22.989218
"322955"	261.933747	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+H+Na"	23.996494
"715375"	386.901497	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+H+Na"	23.996494
"1476818"	136.965997	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H+Na"	23.996494
"1066820"	91.6464233333333	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2H+Na"	25.00377
"1271539"	282.968986	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+CH3OH+H"	33.033486
"387801"	538.834158	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+K"	38.963158
"751349"	788.769658	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+K"	38.963158
"1554497"	288.898658	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+K"	38.963158
"313498"	269.920717	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+H+K"	39.970434
"706648"	394.888467	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+H+K"	39.970434
"1460797"	144.952967	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H+K"	39.970434
"247615"	541.904826	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+ACN+H"	42.033826
"1221415"	291.969326	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+ACN+H"	42.033826
"1204207"	146.488301	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+ACN+2H"	43.041102
"197077"	544.84216	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+2Na-H"	44.97116
"635546"	794.77766	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+2Na-H"	44.97116
"1135403"	294.90666	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2Na-H"	44.97116
"177963"	272.924718	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+2Na"	45.978436
"624090"	397.892468	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+2Na"	45.978436
"1123222"	147.956968	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2Na"	45.978436
"1408935"	98.9737373333333	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H+2Na"	46.985712
"1439956"	296.948246	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H+HCOOH"	47.012746
"229652"	277.95774	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+3H2O+2H"	56.04448
"1510785"	311.00029	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+IsoProp+H"	61.06479
"416305"	280.911688	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+Na+K"	61.952376
"772927"	405.879438	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+Na+K"	61.952376
"1671446"	155.943938	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Na+K"	61.952376
"259061"	563.886768	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+ACN+Na"	64.015768
"1232865"	313.951268	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+ACN+Na"	64.015768
"1722845"	313.974793	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+NH4+HCOOH"	64.039293
"1186013"	106.301051333333	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+3Na"	68.967654
"1662466"	318.930188	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Na+HCOOH"	68.994688
"169327"	576.79004	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+2K-H"	76.91904
"610954"	826.72554	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+2K-H"	76.91904
"1094499"	326.85454	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2K-H"	76.91904
"151315"	288.898658	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"2M+2K"	77.926316
"588689"	413.866408	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"3M+2K"	77.926316
"1077574"	163.930908	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2K"	77.926316
"1112970"	328.869092	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2K+H"	78.933592
"1346076"	328.956707	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+DMSO+H"	79.021207
"1012421"	332.995876	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2ACN+H"	83.060376
"1530546"	333.989508	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+IsoProp+Na+H"	84.054008
"1000273"	167.001576	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+2ACN+2H"	84.067652
"1594774"	334.904128	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+K+HCOOH"	84.968628
"1419341"	364.935638	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+H+CF3COOH"	115.000138
"1155098"	187.514851	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+3ACN+2H"	125.094202
"1709022"	381.962185	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+NH4+CF3COOH"	132.026685
"1638110"	386.91758	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+Na+CF3COOH"	136.98208
"1571940"	402.89152	"C06646"	"2-(4-Chlorophenyl)-33-dichloropropenoate"	"C9H5Cl3O2"	"249.9355"	"M+K+CF3COOH"	152.95602
"812882"	154.0185	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M"	0
"989211"	135.00011	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-H2O-H"	-19.01839
"74658"	101.671724	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M-3H"	-3.021828
"516046"	153.011224	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M-3H"	-3.021828
"887651"	50.332224	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-3H"	-3.021828
"8413"	153.011224	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M-2H"	-2.014552
"453443"	230.020474	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M-2H"	-2.014552
"831859"	76.001974	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-2H"	-2.014552
"92337"	307.029724	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M-H"	-1.007276
"529711"	461.048224	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M-H"	-1.007276
"904232"	153.011224	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-H"	-1.007276
"56419"	324.056271	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M-2H+NH4"	16.019271
"502742"	478.074771	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M-2H+NH4"	16.019271
"878033"	170.037771	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-2H+NH4"	16.019271
"46503"	329.011666	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M-2H+Na"	20.974666
"486999"	483.030166	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M-2H+Na"	20.974666
"862327"	174.993166	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-2H+Na"	20.974666
"1633321"	174.993166	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Na-2H"	20.974666
"105110"	170.999563	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M-H+Cl"	33.962126
"547950"	248.008813	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M-H+Cl"	33.962126
"939278"	93.990313	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-H+Cl"	33.962126
"277834"	343.006402	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+Cl"	34.969402
"669162"	497.024902	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+Cl"	34.969402
"1281564"	188.987902	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Cl"	34.969402
"26307"	344.985606	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M-2H+K"	36.948606
"468053"	499.004106	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M-2H+K"	36.948606
"841481"	190.967106	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-2H+K"	36.948606
"1564969"	190.967106	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+K-2H"	36.948606
"954676"	199.016694	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-H+HCOOH"	44.998194
"373256"	353.035201	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+HCOOH-H"	44.998201
"358962"	367.050851	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+Hac-H"	59.013851
"1502693"	213.032351	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Hac-H"	59.013851
"971330"	220.998651	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-H+NaCOOH"	66.980151
"125512"	188.987902	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+2Cl"	69.938804
"562350"	265.997152	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+2Cl"	69.938804
"1036616"	111.978652	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2Cl"	69.938804
"1256972"	232.937385	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Br"	78.918885
"1319539"	234.993372	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Cl+HCOOH"	80.974872
"1328120"	256.975329	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Cl+NaCOOH"	102.956829
"918084"	267.004086	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M-H+CF3COOH"	112.985586
"1294793"	302.980764	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Cl+CF3COOH"	148.962264
"1374048"	119.005824	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H-2H2O"	-35.012676
"1390451"	137.0158	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H-H2O"	-17.0027
"291230"	309.044276	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+H"	1.007276
"691189"	463.062776	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+H"	1.007276
"1364740"	155.025776	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H"	1.007276
"139817"	155.025776	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+2H"	2.014552
"577917"	232.035026	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+2H"	2.014552
"1045625"	78.016526	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2H"	2.014552
"216810"	103.686276	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+3H"	3.021828
"647986"	155.025776	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+3H"	3.021828
"1172309"	52.346776	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+3H"	3.021828
"433395"	326.070823	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+NH4"	18.033823
"792203"	480.089323	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+NH4"	18.033823
"1690723"	172.052323	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+NH4"	18.033823
"332441"	163.5390495	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+H+NH4"	19.041099
"733252"	240.5482995	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+H+NH4"	19.041099
"1488898"	86.5297995	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H+NH4"	19.041099
"407214"	331.026218	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+Na"	22.989218
"764929"	485.044718	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+Na"	22.989218
"1610840"	177.007718	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Na"	22.989218
"321972"	166.016747	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+H+Na"	23.996494
"715850"	243.025997	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+H+Na"	23.996494
"1474777"	89.007497	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H+Na"	23.996494
"1066930"	59.67409	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2H+Na"	25.00377
"1269701"	187.051986	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+CH3OH+H"	33.033486
"388274"	347.000158	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+K"	38.963158
"749268"	501.018658	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+K"	38.963158
"1552418"	192.981658	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+K"	38.963158
"310685"	174.003717	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+H+K"	39.970434
"705294"	251.012967	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+H+K"	39.970434
"1456936"	96.994467	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H+K"	39.970434
"248816"	350.070826	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+ACN+H"	42.033826
"1222619"	196.052326	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+ACN+H"	42.033826
"1203223"	98.529801	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+ACN+2H"	43.041102
"199373"	353.00816	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+2Na-H"	44.97116
"635655"	507.02666	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+2Na-H"	44.97116
"1135150"	198.98966	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2Na-H"	44.97116
"175159"	177.007718	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+2Na"	45.978436
"616543"	254.016968	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+2Na"	45.978436
"1117863"	99.998468	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2Na"	45.978436
"1399197"	67.001404	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H+2Na"	46.985712
"1432409"	201.031246	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H+HCOOH"	47.012746
"227573"	182.04074	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+3H2O+2H"	56.04448
"1511624"	215.08329	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+IsoProp+H"	61.06479
"417508"	184.994688	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+Na+K"	61.952376
"771214"	262.003938	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+Na+K"	61.952376
"1671556"	107.985438	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Na+K"	61.952376
"260265"	372.052768	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+ACN+Na"	64.015768
"1232975"	218.034268	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+ACN+Na"	64.015768
"1722955"	218.057793	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+NH4+HCOOH"	64.039293
"1187216"	74.328718	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+3Na"	68.967654
"1664642"	223.013188	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Na+HCOOH"	68.994688
"169437"	384.95604	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+2K-H"	76.91904
"611185"	538.97454	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+2K-H"	76.91904
"1094609"	230.93754	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2K-H"	76.91904
"149239"	192.981658	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"2M+2K"	77.926316
"590985"	269.990908	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"3M+2K"	77.926316
"1078778"	115.972408	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2K"	77.926316
"1113081"	232.952092	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2K+H"	78.933592
"1346186"	233.039707	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+DMSO+H"	79.021207
"1014716"	237.078876	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2ACN+H"	83.060376
"1533935"	238.072508	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+IsoProp+Na+H"	84.054008
"1000383"	119.043076	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+2ACN+2H"	84.067652
"1597071"	238.987128	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+K+HCOOH"	84.968628
"1420545"	269.018638	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+H+CF3COOH"	115.000138
"1155208"	139.556351	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+3ACN+2H"	125.094202
"1709132"	286.045185	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+NH4+CF3COOH"	132.026685
"1638220"	291.00058	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+Na+CF3COOH"	136.98208
"1573873"	306.97452	"C06647"	"4-Chloroacetophenone;p-Chloroacetophenone"	"C8H7ClO"	"154.0185"	"M+K+CF3COOH"	152.95602
"812992"	140.0029	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M"	0
"988593"	120.98451	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-H2O-H"	-19.01839
"73675"	92.3279906666667	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M-3H"	-3.021828
"516886"	138.995624	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M-3H"	-3.021828
"886668"	45.6603573333333	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-3H"	-3.021828
"7430"	138.995624	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M-2H"	-2.014552
"453919"	208.997074	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M-2H"	-2.014552
"828074"	68.994174	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-2H"	-2.014552
"93049"	278.998524	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M-H"	-1.007276
"533466"	419.001424	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M-H"	-1.007276
"906529"	138.995624	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-H"	-1.007276
"59809"	296.025071	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M-2H+NH4"	16.019271
"501192"	436.027971	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M-2H+NH4"	16.019271
"878751"	156.022171	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-2H+NH4"	16.019271
"45439"	300.980466	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M-2H+Na"	20.974666
"486621"	440.983366	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M-2H+Na"	20.974666
"863288"	160.977566	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-2H+Na"	20.974666
"1633922"	160.977566	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Na-2H"	20.974666
"103033"	156.983963	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M-H+Cl"	33.962126
"548060"	226.985413	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M-H+Cl"	33.962126
"939388"	86.982513	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-H+Cl"	33.962126
"277945"	314.975202	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+Cl"	34.969402
"670366"	454.978102	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+Cl"	34.969402
"1281674"	174.972302	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Cl"	34.969402
"27510"	316.954406	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M-2H+K"	36.948606
"464883"	456.957306	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M-2H+K"	36.948606
"842685"	176.951506	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-2H+K"	36.948606
"1563987"	176.951506	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+K-2H"	36.948606
"955150"	185.001094	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-H+HCOOH"	44.998194
"373366"	325.004001	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+HCOOH-H"	44.998201
"358343"	339.019651	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+Hac-H"	59.013851
"1502803"	199.016751	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Hac-H"	59.013851
"970347"	206.983051	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-H+NaCOOH"	66.980151
"121805"	174.972302	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+2Cl"	69.938804
"562460"	244.973752	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+2Cl"	69.938804
"1036813"	104.970852	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2Cl"	69.938804
"1253388"	218.921785	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Br"	78.918885
"1314014"	220.977772	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Cl+HCOOH"	80.974872
"1328229"	242.959729	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Cl+NaCOOH"	102.956829
"924754"	252.988486	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M-H+CF3COOH"	112.985586
"1291623"	288.965164	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Cl+CF3COOH"	148.962264
"1374158"	104.990224	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H-2H2O"	-35.012676
"1390561"	123.0002	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H-H2O"	-17.0027
"291340"	281.013076	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+H"	1.007276
"684855"	421.015976	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+H"	1.007276
"1362298"	141.010176	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H"	1.007276
"136281"	141.010176	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+2H"	2.014552
"575841"	211.011626	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+2H"	2.014552
"1047923"	71.008726	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2H"	2.014552
"216920"	94.3425426666667	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+3H"	3.021828
"648826"	141.010176	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+3H"	3.021828
"1171326"	47.6749093333333	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+3H"	3.021828
"433505"	298.039623	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+NH4"	18.033823
"792313"	438.042523	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+NH4"	18.033823
"1690833"	158.036723	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+NH4"	18.033823
"332551"	149.5234495	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+H+NH4"	19.041099
"733726"	219.5248995	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+H+NH4"	19.041099
"1489372"	79.5219995	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H+NH4"	19.041099
"404043"	302.995018	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+Na"	22.989218
"766132"	442.997918	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+Na"	22.989218
"1615323"	162.992118	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Na"	22.989218
"323176"	152.001147	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+H+Na"	23.996494
"715595"	222.002597	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+H+Na"	23.996494
"1472700"	81.999697	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H+Na"	23.996494
"1063760"	55.0022233333333	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2H+Na"	25.00377
"1270904"	173.036386	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+CH3OH+H"	33.033486
"385104"	318.968958	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+K"	38.963158
"749378"	458.971858	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+K"	38.963158
"1551435"	178.966058	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+K"	38.963158
"309703"	159.988117	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+H+K"	39.970434
"703219"	229.989567	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+H+K"	39.970434
"1455951"	89.986667	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H+K"	39.970434
"243459"	322.039626	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+ACN+H"	42.033826
"1221636"	182.036726	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+ACN+H"	42.033826
"1200053"	91.522001	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+ACN+2H"	43.041102
"198391"	324.97696	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+2Na-H"	44.97116
"633578"	464.97986	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+2Na-H"	44.97116
"1134897"	184.97406	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2Na-H"	44.97116
"179280"	162.992118	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+2Na"	45.978436
"616652"	232.993568	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+2Na"	45.978436
"1117242"	92.990668	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2Na"	45.978436
"1403682"	62.3295373333333	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H+2Na"	46.985712
"1433611"	187.015646	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H+HCOOH"	47.012746
"220512"	168.02514	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+3H2O+2H"	56.04448
"1509548"	201.06769	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+IsoProp+H"	61.06479
"416525"	170.979088	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+Na+K"	61.952376
"772054"	240.980538	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+Na+K"	61.952376
"1667293"	100.977638	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Na+K"	61.952376
"259281"	344.021568	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+ACN+Na"	64.015768
"1234179"	204.018668	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+ACN+Na"	64.015768
"1725252"	204.042193	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+NH4+HCOOH"	64.039293
"1189513"	69.6568513333333	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+3Na"	68.967654
"1665476"	208.997588	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Na+HCOOH"	68.994688
"172546"	356.92484	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+2K-H"	76.91904
"612594"	496.92774	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+2K-H"	76.91904
"1092534"	216.92194	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2K-H"	76.91904
"152629"	178.966058	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"2M+2K"	77.926316
"594376"	248.967508	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"3M+2K"	77.926316
"1079982"	108.964608	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2K"	77.926316
"1112097"	218.936492	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2K+H"	78.933592
"1343016"	219.024107	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+DMSO+H"	79.021207
"1013731"	223.063276	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2ACN+H"	83.060376
"1536230"	224.056908	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+IsoProp+Na+H"	84.054008
"1000492"	112.035276	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+2ACN+2H"	84.067652
"1596088"	224.971528	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+K+HCOOH"	84.968628
"1418467"	255.003038	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+H+CF3COOH"	115.000138
"1157505"	132.548551	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+3ACN+2H"	125.094202
"1709242"	272.029585	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+NH4+CF3COOH"	132.026685
"1638330"	276.98498	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+Na+CF3COOH"	136.98208
"1573983"	292.95892	"C06648"	"4-Chlorobenzaldehyde"	"C7H5ClO"	"140.0029"	"M+K+CF3COOH"	152.95602
"814195"	385.9202	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M"	0
"986636"	366.90181	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-H2O-H"	-19.01839
"73785"	256.272857333333	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M-3H"	-3.021828
"515902"	384.912924	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M-3H"	-3.021828
"886778"	127.632790666667	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-3H"	-3.021828
"6447"	384.912924	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M-2H"	-2.014552
"451476"	577.873024	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M-2H"	-2.014552
"828184"	191.952824	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-2H"	-2.014552
"92675"	770.833124	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M-H"	-1.007276
"531017"	1156.753324	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M-H"	-1.007276
"910285"	384.912924	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-H"	-1.007276
"58827"	787.859671	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M-2H+NH4"	16.019271
"500210"	1173.779871	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M-2H+NH4"	16.019271
"878619"	401.939471	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-2H+NH4"	16.019271
"44092"	792.815066	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M-2H+Na"	20.974666
"485838"	1178.735266	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M-2H+Na"	20.974666
"861455"	406.894866	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-2H+Na"	20.974666
"1633423"	406.894866	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Na-2H"	20.974666
"103143"	402.901263	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M-H+Cl"	33.962126
"545985"	595.861363	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M-H+Cl"	33.962126
"936218"	209.941163	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-H+Cl"	33.962126
"278054"	806.809802	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+Cl"	34.969402
"671569"	1192.730002	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+Cl"	34.969402
"1282878"	420.889602	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Cl"	34.969402
"24340"	808.789006	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M-2H+K"	36.948606
"461713"	1194.709206	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M-2H+K"	36.948606
"842795"	422.868806	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-2H+K"	36.948606
"1566283"	422.868806	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+K-2H"	36.948606
"955625"	430.918394	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-H+HCOOH"	44.998194
"372382"	816.838601	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+HCOOH-H"	44.998201
"358089"	830.854251	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+Hac-H"	59.013851
"1502913"	444.934051	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Hac-H"	59.013851
"968997"	452.900351	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-H+NaCOOH"	66.980151
"121186"	420.889602	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+2Cl"	69.938804
"562570"	613.849702	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+2Cl"	69.938804
"1036800"	227.929502	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2Cl"	69.938804
"1253498"	464.839085	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Br"	78.918885
"1314124"	466.895072	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Cl+HCOOH"	80.974872
"1328339"	488.877029	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Cl+NaCOOH"	102.956829
"923771"	498.905786	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M-H+CF3COOH"	112.985586
"1292826"	534.882464	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Cl+CF3COOH"	148.962264
"1374268"	350.907524	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H-2H2O"	-35.012676
"1390671"	368.9175	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H-H2O"	-17.0027
"291450"	772.847676	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+H"	1.007276
"684965"	1158.767876	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+H"	1.007276
"1362408"	386.927476	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H"	1.007276
"137484"	386.927476	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+2H"	2.014552
"577044"	579.887576	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+2H"	2.014552
"1049856"	193.967376	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2H"	2.014552
"207189"	258.287409333333	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+3H"	3.021828
"646748"	386.927476	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+3H"	3.021828
"1171436"	129.647342666667	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+3H"	3.021828
"431429"	789.874223	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+NH4"	18.033823
"790237"	1175.794423	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+NH4"	18.033823
"1688756"	403.954023	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+NH4"	18.033823
"331568"	395.4407495	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+H+NH4"	19.041099
"733836"	588.4008495	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+H+NH4"	19.041099
"1489846"	202.4806495	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H+NH4"	19.041099
"404151"	794.829618	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+Na"	22.989218
"762960"	1180.749818	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+Na"	22.989218
"1608871"	408.909418	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Na"	22.989218
"315628"	397.918447	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+H+Na"	23.996494
"708169"	590.878547	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+H+Na"	23.996494
"1472810"	204.958347	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H+Na"	23.996494
"1066055"	136.974656666667	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2H+Na"	25.00377
"1269921"	418.953686	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+CH3OH+H"	33.033486
"385214"	810.803558	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+K"	38.963158
"746209"	1196.723758	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+K"	38.963158
"1551545"	424.883358	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+K"	38.963158
"306533"	405.905417	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+H+K"	39.970434
"700049"	598.865517	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+H+K"	39.970434
"1453873"	212.945317	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H+K"	39.970434
"244662"	813.874226	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+ACN+H"	42.033826
"1220652"	427.954026	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+ACN+H"	42.033826
"1197976"	214.480651	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+ACN+2H"	43.041102
"196313"	816.81156	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+2Na-H"	44.97116
"631134"	1202.73176	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+2Na-H"	44.97116
"1135371"	430.89136	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2Na-H"	44.97116
"179390"	408.909418	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+2Na"	45.978436
"616762"	601.869518	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+2Na"	45.978436
"1118444"	215.949318	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2Na"	45.978436
"1403792"	144.301970666667	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H+2Na"	46.985712
"1433721"	432.932946	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H+HCOOH"	47.012746
"220617"	413.94244	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+3H2O+2H"	56.04448
"1509658"	446.98499	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+IsoProp+H"	61.06479
"413355"	416.896388	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+Na+K"	61.952376
"772527"	609.856488	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+Na+K"	61.952376
"1670682"	223.936288	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Na+K"	61.952376
"258298"	835.856168	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+ACN+Na"	64.015768
"1232101"	449.935968	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+ACN+Na"	64.015768
"1720987"	449.959493	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+NH4+HCOOH"	64.039293
"1189623"	151.629284666667	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+3Na"	68.967654
"1659879"	454.914888	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Na+HCOOH"	68.994688
"168563"	848.75944	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+2K-H"	76.91904
"612136"	1234.67964	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+2K-H"	76.91904
"1097987"	462.83924	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2K-H"	76.91904
"151647"	424.883358	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"2M+2K"	77.926316
"593270"	617.843458	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"3M+2K"	77.926316
"1078998"	231.923258	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2K"	77.926316
"1110019"	464.853792	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2K+H"	78.933592
"1345312"	464.941407	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+DMSO+H"	79.021207
"1012749"	468.980576	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2ACN+H"	83.060376
"1527592"	469.974208	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+IsoProp+Na+H"	84.054008
"997320"	234.993926	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+2ACN+2H"	84.067652
"1591823"	470.888828	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+K+HCOOH"	84.968628
"1415661"	500.920338	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+H+CF3COOH"	115.000138
"1156519"	255.507201	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+3ACN+2H"	125.094202
"1709352"	517.946885	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+NH4+CF3COOH"	132.026685
"1637346"	522.90228	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+Na+CF3COOH"	136.98208
"1574093"	538.87622	"C06649"	"cis-23-Dihydrodiol 111-Trichloro-22-bis(4-chlorophenyl)ethane;cis-23-Dihydrodiol DDT"	"C14H11Cl5O2"	"385.9202"	"M+K+CF3COOH"	152.95602
"815401"	383.9045	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M"	0
"989662"	364.88611	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-H2O-H"	-19.01839
"73895"	254.929057333333	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M-3H"	-3.021828
"513460"	382.897224	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M-3H"	-3.021828
"889077"	126.960890666667	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-3H"	-3.021828
"8744"	382.897224	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M-2H"	-2.014552
"450493"	574.849474	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M-2H"	-2.014552
"822826"	190.944974	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-2H"	-2.014552
"92540"	766.801724	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M-H"	-1.007276
"531127"	1150.706224	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M-H"	-1.007276
"909788"	382.897224	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-H"	-1.007276
"56751"	783.828271	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M-2H+NH4"	16.019271
"498132"	1167.732771	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M-2H+NH4"	16.019271
"877636"	399.923771	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-2H+NH4"	16.019271
"43838"	788.783666	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M-2H+Na"	20.974666
"484855"	1172.688166	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M-2H+Na"	20.974666
"861929"	404.879166	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-2H+Na"	20.974666
"1632196"	404.879166	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Na-2H"	20.974666
"96693"	400.885563	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M-H+Cl"	33.962126
"541720"	592.837813	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M-H+Cl"	33.962126
"933048"	208.933313	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-H+Cl"	33.962126
"275978"	802.778402	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+Cl"	34.969402
"666211"	1186.682902	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+Cl"	34.969402
"1282988"	418.873902	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Cl"	34.969402
"21170"	804.757606	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M-2H+K"	36.948606
"460730"	1188.662106	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M-2H+K"	36.948606
"840718"	420.853106	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-2H+K"	36.948606
"1566393"	420.853106	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+K-2H"	36.948606
"952091"	428.902694	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-H+HCOOH"	44.998194
"372493"	812.807201	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+HCOOH-H"	44.998201
"360631"	826.822851	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+Hac-H"	59.013851
"1503023"	442.918351	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Hac-H"	59.013851
"970201"	450.884651	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-H+NaCOOH"	66.980151
"122754"	418.873902	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+2Cl"	69.938804
"564867"	610.826152	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+2Cl"	69.938804
"1036100"	226.921652	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2Cl"	69.938804
"1254702"	462.823385	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Br"	78.918885
"1314234"	464.879372	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Cl+HCOOH"	80.974872
"1328449"	486.861329	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Cl+NaCOOH"	102.956829
"922788"	496.890086	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M-H+CF3COOH"	112.985586
"1297309"	532.866764	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Cl+CF3COOH"	148.962264
"1372191"	348.891824	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H-2H2O"	-35.012676
"1390781"	366.9018	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H-H2O"	-17.0027
"291560"	768.816276	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+H"	1.007276
"682888"	1152.720776	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+H"	1.007276
"1359237"	384.911776	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H"	1.007276
"139417"	384.911776	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+2H"	2.014552
"579342"	576.864026	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+2H"	2.014552
"1050695"	192.959526	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2H"	2.014552
"208392"	256.943609333333	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+3H"	3.021828
"647223"	384.911776	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+3H"	3.021828
"1171546"	128.975442666667	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+3H"	3.021828
"437006"	785.842823	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+NH4"	18.033823
"791440"	1169.747323	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+NH4"	18.033823
"1688866"	401.938323	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+NH4"	18.033823
"333865"	393.4250495	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+H+NH4"	19.041099
"735039"	585.3772995	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+H+NH4"	19.041099
"1488862"	201.4727995	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H+NH4"	19.041099
"404261"	790.798218	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+Na"	22.989218
"759789"	1174.702718	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+Na"	22.989218
"1607888"	406.893718	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Na"	22.989218
"315128"	395.902747	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+H+Na"	23.996494
"709005"	587.854997	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+H+Na"	23.996494
"1475107"	203.950497	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H+Na"	23.996494
"1067259"	136.302756666667	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2H+Na"	25.00377
"1268937"	416.937986	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+CH3OH+H"	33.033486
"388605"	806.772158	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+K"	38.963158
"745226"	1190.676658	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+K"	38.963158
"1550562"	422.867658	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+K"	38.963158
"306644"	403.889717	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+H+K"	39.970434
"699066"	595.841967	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+H+K"	39.970434
"1457994"	211.937467	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H+K"	39.970434
"248054"	809.842826	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+ACN+H"	42.033826
"1223681"	425.938326	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+ACN+H"	42.033826
"1203553"	213.472801	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+ACN+2H"	43.041102
"196424"	812.78016	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+2Na-H"	44.97116
"637079"	1196.68466	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+2Na-H"	44.97116
"1140588"	428.87566	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2Na-H"	44.97116
"178409"	406.893718	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+2Na"	45.978436
"620154"	598.845968	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+2Na"	45.978436
"1119287"	214.941468	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2Na"	45.978436
"1401718"	143.630070666667	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H+2Na"	46.985712
"1433833"	430.917246	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H+HCOOH"	47.012746
"221703"	411.92674	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+3H2O+2H"	56.04448
"1509158"	444.96929	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+IsoProp+H"	61.06479
"415652"	414.880688	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+Na+K"	61.952376
"774463"	606.832938	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+Na+K"	61.952376
"1670792"	222.928438	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Na+K"	61.952376
"258407"	831.824768	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+ACN+Na"	64.015768
"1236586"	447.920268	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+ACN+Na"	64.015768
"1723285"	447.943793	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+NH4+HCOOH"	64.039293
"1192650"	150.957384666667	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+3Na"	68.967654
"1662906"	452.899188	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Na+HCOOH"	68.994688
"170860"	844.72804	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+2K-H"	76.91904
"612372"	1228.63254	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+2K-H"	76.91904
"1096034"	460.82354	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2K-H"	76.91904
"152850"	422.867658	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"2M+2K"	77.926316
"591317"	614.819908	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"3M+2K"	77.926316
"1080202"	230.915408	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2K"	77.926316
"1113411"	462.838092	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2K+H"	78.933592
"1344330"	462.925707	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+DMSO+H"	79.021207
"1016139"	466.964876	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2ACN+H"	83.060376
"1535356"	467.958508	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+IsoProp+Na+H"	84.054008
"998524"	233.986076	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+2ACN+2H"	84.067652
"1598494"	468.873128	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+K+HCOOH"	84.968628
"1427435"	498.904638	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+H+CF3COOH"	115.000138
"1158816"	254.499351	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+3ACN+2H"	125.094202
"1710556"	515.931185	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+NH4+CF3COOH"	132.026685
"1641831"	520.88658	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+Na+CF3COOH"	136.98208
"1576391"	536.86052	"C06650"	"23-Dihydroxy 111-Trichloro-22-bis(4-chlorophenyl)ethane;23-Dihydroxy DDT"	"C14H9Cl5O2"	"383.9045"	"M+K+CF3COOH"	152.95602
"816837"	415.8943	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M"	0
"989408"	396.87591	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-H2O-H"	-19.01839
"75098"	276.255590666667	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M-3H"	-3.021828
"515753"	414.887024	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M-3H"	-3.021828
"890280"	137.624157333333	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-3H"	-3.021828
"12133"	414.887024	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M-2H"	-2.014552
"450603"	622.834174	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M-2H"	-2.014552
"825122"	206.939874	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-2H"	-2.014552
"93379"	830.781324	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M-H"	-1.007276
"531237"	1246.675624	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M-H"	-1.007276
"909045"	414.887024	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-H"	-1.007276
"60140"	847.807871	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M-2H+NH4"	16.019271
"499699"	1263.702171	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M-2H+NH4"	16.019271
"878597"	431.913571	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-2H+NH4"	16.019271
"44311"	852.763266	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M-2H+Na"	20.974666
"485939"	1268.657566	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M-2H+Na"	20.974666
"862407"	436.868966	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-2H+Na"	20.974666
"1633033"	436.868966	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Na-2H"	20.974666
"103363"	432.875363	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M-H+Cl"	33.962126
"542924"	640.822513	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M-H+Cl"	33.962126
"935345"	224.928213	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-H+Cl"	33.962126
"274994"	866.758002	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+Cl"	34.969402
"670696"	1282.652302	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+Cl"	34.969402
"1275445"	450.863702	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Cl"	34.969402
"19094"	868.737206	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M-2H+K"	36.948606
"465213"	1284.631506	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M-2H+K"	36.948606
"839735"	452.842906	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-2H+K"	36.948606
"1565411"	452.842906	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+K-2H"	36.948606
"948919"	460.892494	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-H+HCOOH"	44.998194
"364948"	876.786801	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+HCOOH-H"	44.998201
"360497"	890.802451	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+Hac-H"	59.013851
"1504227"	474.908151	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Hac-H"	59.013851
"973471"	482.874451	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-H+NaCOOH"	66.980151
"124690"	450.863702	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+2Cl"	69.938804
"564130"	658.810852	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+2Cl"	69.938804
"1035970"	242.916552	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2Cl"	69.938804
"1254448"	494.813185	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Br"	78.918885
"1317990"	496.869172	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Cl+HCOOH"	80.974872
"1330746"	518.851129	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Cl+NaCOOH"	102.956829
"925450"	528.879886	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M-H+CF3COOH"	112.985586
"1297421"	564.856564	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Cl+CF3COOH"	148.962264
"1378499"	380.881624	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H-2H2O"	-35.012676
"1393077"	398.8916	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H-H2O"	-17.0027
"294587"	832.795876	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+H"	1.007276
"685185"	1248.690176	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+H"	1.007276
"1364815"	416.901576	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H"	1.007276
"139527"	416.901576	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+2H"	2.014552
"577997"	624.848726	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+2H"	2.014552
"1049714"	208.954426	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2H"	2.014552
"215794"	278.270142666667	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+3H"	3.021828
"654623"	416.901576	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+3H"	3.021828
"1171656"	139.638709333333	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+3H"	3.021828
"433836"	849.822423	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+NH4"	18.033823
"792644"	1265.716723	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+NH4"	18.033823
"1688249"	433.928123	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+NH4"	18.033823
"337257"	425.4148495	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+H+NH4"	19.041099
"735517"	633.3619995	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+H+NH4"	19.041099
"1489701"	217.4676995	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H+NH4"	19.041099
"406196"	854.777818	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+Na"	22.989218
"764273"	1270.672118	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+Na"	22.989218
"1612373"	438.883518	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Na"	22.989218
"325689"	427.892547	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+H+Na"	23.996494
"710455"	635.839697	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+H+Na"	23.996494
"1475217"	219.945397	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H+Na"	23.996494
"1067370"	146.966023333333	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2H+Na"	25.00377
"1269050"	448.927786	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+CH3OH+H"	33.033486
"386528"	870.751758	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+K"	38.963158
"748618"	1286.646058	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+K"	38.963158
"1549579"	454.857458	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+K"	38.963158
"307846"	435.879517	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+H+K"	39.970434
"702457"	643.826667	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+H+K"	39.970434
"1460292"	227.932367	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H+K"	39.970434
"251127"	873.822426	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+ACN+H"	42.033826
"1220871"	457.928126	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+ACN+H"	42.033826
"1201475"	229.467701	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+ACN+2H"	43.041102
"197627"	876.75976	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+2Na-H"	44.97116
"637189"	1292.65406	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+2Na-H"	44.97116
"1144708"	460.86546	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2Na-H"	44.97116
"185080"	438.883518	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+2Na"	45.978436
"616985"	646.830668	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+2Na"	45.978436
"1125958"	230.936368	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2Na"	45.978436
"1402921"	154.293337333333	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H+2Na"	46.985712
"1433943"	462.907046	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H+HCOOH"	47.012746
"222180"	443.91654	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+3H2O+2H"	56.04448
"1510607"	476.95909	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+IsoProp+H"	61.06479
"408751"	446.870488	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+Na+K"	61.952376
"773475"	654.817638	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+Na+K"	61.952376
"1674183"	238.923338	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Na+K"	61.952376
"260703"	895.804368	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+ACN+Na"	64.015768
"1230134"	479.910068	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+ACN+Na"	64.015768
"1721207"	479.933593	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+NH4+HCOOH"	64.039293
"1187656"	161.620651333333	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+3Na"	68.967654
"1661923"	484.888988	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Na+HCOOH"	68.994688
"169878"	908.70764	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+2K-H"	76.91904
"609438"	1324.60194	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+2K-H"	76.91904
"1098329"	492.81334	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2K-H"	76.91904
"152960"	454.857458	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"2M+2K"	77.926316
"596289"	662.804608	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"3M+2K"	77.926316
"1079219"	246.910308	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2K"	77.926316
"1113521"	494.827892	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2K+H"	78.933592
"1345534"	494.915507	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+DMSO+H"	79.021207
"1014063"	498.954676	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2ACN+H"	83.060376
"1537653"	499.948308	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+IsoProp+Na+H"	84.054008
"1001916"	249.980976	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+2ACN+2H"	84.067652
"1602524"	500.862928	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+K+HCOOH"	84.968628
"1426817"	530.894438	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+H+CF3COOH"	115.000138
"1161844"	270.494251	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+3ACN+2H"	125.094202
"1712372"	547.920985	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+NH4+CF3COOH"	132.026685
"1649597"	552.87638	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+Na+CF3COOH"	136.98208
"1576500"	568.85032	"C06651"	"6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3888-tetrachloroocta-2E4E-dienoate"	"C14H9Cl5O4"	"415.8943"	"M+K+CF3COOH"	152.95602
"813433"	717.4663	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M"	0
"988060"	698.44791	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-H2O-H"	-19.01839
"73025"	477.303590666667	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M-3H"	-3.021828
"513681"	716.459024	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M-3H"	-3.021828
"889297"	238.148157333333	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-3H"	-3.021828
"12245"	716.459024	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M-2H"	-2.014552
"452900"	1075.192174	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M-2H"	-2.014552
"828515"	357.725874	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-2H"	-2.014552
"93368"	1433.925324	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M-H"	-1.007276
"533536"	2151.391624	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M-H"	-1.007276
"909522"	716.459024	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-H"	-1.007276
"56968"	1450.951871	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M-2H+NH4"	16.019271
"499810"	2168.418171	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M-2H+NH4"	16.019271
"875426"	733.485571	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-2H+NH4"	16.019271
"44057"	1455.907266	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M-2H+Na"	20.974666
"484711"	2173.373566	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M-2H+Na"	20.974666
"861422"	738.440966	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-2H+Na"	20.974666
"1626944"	738.440966	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Na-2H"	20.974666
"102380"	734.447363	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M-H+Cl"	33.962126
"540848"	1093.180513	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M-H+Cl"	33.962126
"934362"	375.714213	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-H+Cl"	33.962126
"274012"	1469.902002	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+Cl"	34.969402
"669714"	2187.368302	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+Cl"	34.969402
"1281022"	752.435702	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Cl"	34.969402
"21391"	1471.881206	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M-2H+K"	36.948606
"465323"	2189.347506	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M-2H+K"	36.948606
"837658"	754.414906	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-2H+K"	36.948606
"1568437"	754.414906	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+K-2H"	36.948606
"951216"	762.464494	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-H+HCOOH"	44.998194
"371254"	1479.930801	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+HCOOH-H"	44.998201
"358055"	1493.946451	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+Hac-H"	59.013851
"1506160"	776.480151	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Hac-H"	59.013851
"970787"	784.446451	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-H+NaCOOH"	66.980151
"119693"	752.435702	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+2Cl"	69.938804
"564847"	1111.168852	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+2Cl"	69.938804
"1036317"	393.702552	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2Cl"	69.938804
"1253464"	796.385185	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Br"	78.918885
"1316641"	798.441172	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Cl+HCOOH"	80.974872
"1334501"	820.423129	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Cl+NaCOOH"	102.956829
"920819"	830.451886	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M-H+CF3COOH"	112.985586
"1297528"	866.428564	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Cl+CF3COOH"	148.962264
"1378970"	682.453624	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H-2H2O"	-35.012676
"1396834"	700.4636	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H-H2O"	-17.0027
"295061"	1435.939876	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+H"	1.007276
"690403"	2153.406176	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+H"	1.007276
"1362737"	718.473576	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H"	1.007276
"139273"	718.473576	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+2H"	2.014552
"580421"	1077.206726	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+2H"	2.014552
"1048367"	359.740426	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2H"	2.014552
"211894"	479.318142666667	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+3H"	3.021828
"650360"	718.473576	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+3H"	3.021828
"1171403"	240.162709333333	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+3H"	3.021828
"430666"	1452.966423	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+NH4"	18.033823
"794580"	2170.432723	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+NH4"	18.033823
"1691275"	735.500123	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+NH4"	18.033823
"337365"	726.9868495	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+H+NH4"	19.041099
"727603"	1085.7199995	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+H+NH4"	19.041099
"1484706"	368.2536995	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H+NH4"	19.041099
"405210"	1457.921818	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+Na"	22.989218
"766570"	2175.388118	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+Na"	22.989218
"1613576"	740.455518	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Na"	22.989218
"322519"	729.464547	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+H+Na"	23.996494
"717131"	1088.197697	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+H+Na"	23.996494
"1473142"	370.731397	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H+Na"	23.996494
"1066390"	247.490023333333	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2H+Na"	25.00377
"1270252"	750.499786	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+CH3OH+H"	33.033486
"386644"	1473.895758	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+K"	38.963158
"748733"	2191.362058	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+K"	38.963158
"1547503"	756.429458	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+K"	38.963158
"306867"	737.451517	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+H+K"	39.970434
"699287"	1096.184667	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+H+K"	39.970434
"1455298"	378.718367	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H+K"	39.970434
"243896"	1476.966426	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+ACN+H"	42.033826
"1218794"	759.500126	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+ACN+H"	42.033826
"1202678"	380.253701	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+ACN+2H"	43.041102
"195550"	1479.90376	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+2Na-H"	44.97116
"631468"	2197.37006	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+2Na-H"	44.97116
"1142993"	762.43746	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2Na-H"	44.97116
"176442"	740.455518	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+2Na"	45.978436
"614908"	1099.188668	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+2Na"	45.978436
"1123881"	381.722368	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2Na"	45.978436
"1406312"	254.817337333333	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H+2Na"	46.985712
"1435145"	764.479046	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H+HCOOH"	47.012746
"220831"	745.48854	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+3H2O+2H"	56.04448
"1510353"	778.53109	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+IsoProp+H"	61.06479
"410769"	748.442488	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+Na+K"	61.952376
"774680"	1107.175638	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+Na+K"	61.952376
"1674293"	389.709338	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Na+K"	61.952376
"259721"	1498.948368	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+ACN+Na"	64.015768
"1230244"	781.482068	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+ACN+Na"	64.015768
"1722411"	781.505593	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+NH4+HCOOH"	64.039293
"1186672"	262.144651333333	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+3Na"	68.967654
"1662399"	786.460988	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Na+HCOOH"	68.994688
"171812"	1511.85164	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+2K-H"	76.91904
"612634"	2229.31794	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+2K-H"	76.91904
"1095159"	794.38534	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2K-H"	76.91904
"153070"	756.429458	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"2M+2K"	77.926316
"591536"	1115.162608	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"3M+2K"	77.926316
"1077142"	397.696308	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2K"	77.926316
"1110351"	796.399892	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2K+H"	78.933592
"1343456"	796.487507	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+DMSO+H"	79.021207
"1015266"	800.526676	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2ACN+H"	83.060376
"1536670"	801.520308	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+IsoProp+Na+H"	84.054008
"1002027"	400.766976	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+2ACN+2H"	84.067652
"1602365"	802.434928	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+K+HCOOH"	84.968628
"1426927"	832.466438	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+H+CF3COOH"	115.000138
"1161954"	421.280251	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+3ACN+2H"	125.094202
"1712604"	849.492985	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+NH4+CF3COOH"	132.026685
"1649712"	854.44838	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+Na+CF3COOH"	136.98208
"1576610"	870.42232	"C06653"	"Erythromycin B;Berythromycin"	"C37H67NO12"	"717.4663"	"M+K+CF3COOH"	152.95602
"812452"	398.1114	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M"	0
"985985"	379.09301	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-H2O-H"	-19.01839
"66574"	264.400324	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M-3H"	-3.021828
"509415"	397.104124	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M-3H"	-3.021828
"889407"	131.696524	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-3H"	-3.021828
"10167"	397.104124	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M-2H"	-2.014552
"452646"	596.159824	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M-2H"	-2.014552
"824250"	198.048424	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-2H"	-2.014552
"93440"	795.215524	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M-H"	-1.007276
"530369"	1193.326924	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M-H"	-1.007276
"907808"	397.104124	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-H"	-1.007276
"58173"	812.242071	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M-2H+NH4"	16.019271
"499921"	1210.353471	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M-2H+NH4"	16.019271
"876264"	414.130671	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-2H+NH4"	16.019271
"45258"	817.197466	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M-2H+Na"	20.974666
"483728"	1215.308866	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M-2H+Na"	20.974666
"859708"	419.086066	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-2H+Na"	20.974666
"1631431"	419.086066	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Na-2H"	20.974666
"102491"	415.092463	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M-H+Cl"	33.962126
"544239"	614.148163	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M-H+Cl"	33.962126
"939941"	216.036763	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-H+Cl"	33.962126
"278497"	831.192202	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+Cl"	34.969402
"672739"	1229.303602	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+Cl"	34.969402
"1284413"	433.080802	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Cl"	34.969402
"28793"	833.171406	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M-2H+K"	36.948606
"468713"	1231.282806	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M-2H+K"	36.948606
"845422"	435.060006	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-2H+K"	36.948606
"1570001"	435.060006	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+K-2H"	36.948606
"952419"	443.109594	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-H+HCOOH"	44.998194
"367357"	841.221001	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+HCOOH-H"	44.998201
"355613"	855.236651	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+Hac-H"	59.013851
"1506270"	457.125251	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Hac-H"	59.013851
"966519"	465.091551	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-H+NaCOOH"	66.980151
"123083"	433.080802	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+2Cl"	69.938804
"564467"	632.136502	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+2Cl"	69.938804
"1034359"	234.025102	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2Cl"	69.938804
"1254301"	477.030285	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Br"	78.918885
"1317844"	479.086272	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Cl+HCOOH"	80.974872
"1335341"	501.068229	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Cl+NaCOOH"	102.956829
"923117"	511.096986	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M-H+CF3COOH"	112.985586
"1298731"	547.073664	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Cl+CF3COOH"	148.962264
"1374705"	363.098724	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H-2H2O"	-35.012676
"1394389"	381.1087	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H-H2O"	-17.0027
"295169"	797.230076	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+H"	1.007276
"685403"	1195.341476	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+H"	1.007276
"1365762"	399.118676	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H"	1.007276
"139744"	399.118676	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+2H"	2.014552
"579316"	598.174376	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+2H"	2.014552
"1048115"	200.062976	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2H"	2.014552
"216381"	266.414876	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+3H"	3.021828
"652658"	399.118676	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+3H"	3.021828
"1166411"	133.711076	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+3H"	3.021828
"432964"	814.256623	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+NH4"	18.033823
"795053"	1212.368023	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+NH4"	18.033823
"1688103"	416.145223	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+NH4"	18.033823
"334196"	407.6319495	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+H+NH4"	19.041099
"732087"	606.6876495	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+H+NH4"	19.041099
"1485909"	208.5762495	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H+NH4"	19.041099
"403502"	819.212018	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+Na"	22.989218
"765952"	1217.323418	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+Na"	22.989218
"1614417"	421.100618	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Na"	22.989218
"325181"	410.109647	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+H+Na"	23.996494
"717242"	609.165347	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+H+Na"	23.996494
"1470334"	211.053947	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H+Na"	23.996494
"1058844"	141.03839	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2H+Na"	25.00377
"1264897"	431.144886	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+CH3OH+H"	33.033486
"384565"	835.185958	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+K"	38.963158
"745561"	1233.297358	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+K"	38.963158
"1549801"	437.074558	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+K"	38.963158
"301507"	418.096617	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+H+K"	39.970434
"695024"	617.152317	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+H+K"	39.970434
"1456500"	219.040917	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H+K"	39.970434
"238175"	838.256626	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+ACN+H"	42.033826
"1216718"	440.145226	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+ACN+H"	42.033826
"1201694"	220.576251	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+ACN+2H"	43.041102
"196755"	841.19396	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+2Na-H"	44.97116
"637405"	1239.30536	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+2Na-H"	44.97116
"1137634"	443.08256	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2Na-H"	44.97116
"179831"	421.100618	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+2Na"	45.978436
"620485"	620.156318	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+2Na"	45.978436
"1120712"	222.044918	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2Na"	45.978436
"1402045"	148.365704	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H+2Na"	46.985712
"1435253"	445.124146	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H+HCOOH"	47.012746
"220408"	426.13364	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+3H2O+2H"	56.04448
"1510461"	459.17619	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+IsoProp+H"	61.06479
"410513"	429.087588	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+Na+K"	61.952376
"772966"	628.143288	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+Na+K"	61.952376
"1673309"	230.031888	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Na+K"	61.952376
"259830"	860.238568	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+ACN+Na"	64.015768
"1233635"	462.127168	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+ACN+Na"	64.015768
"1722522"	462.150693	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+NH4+HCOOH"	64.039293
"1190063"	155.693018	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+3Na"	68.967654
"1664333"	467.106088	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Na+HCOOH"	68.994688
"169004"	873.14184	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+2K-H"	76.91904
"603102"	1271.25324	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+2K-H"	76.91904
"1098428"	475.03044	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2K-H"	76.91904
"146618"	437.074558	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"2M+2K"	77.926316
"591646"	636.130258	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"3M+2K"	77.926316
"1075064"	238.018858	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2K"	77.926316
"1108272"	477.044992	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2K+H"	78.933592
"1342469"	477.132607	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+DMSO+H"	79.021207
"1015373"	481.171776	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2ACN+H"	83.060376
"1533501"	482.165408	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+IsoProp+Na+H"	84.054008
"1003230"	241.089526	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+2ACN+2H"	84.067652
"1598827"	483.080028	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+K+HCOOH"	84.968628
"1425578"	513.111538	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+H+CF3COOH"	115.000138
"1160243"	261.602801	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+3ACN+2H"	125.094202
"1708698"	530.138085	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+NH4+CF3COOH"	132.026685
"1642161"	535.09348	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+Na+CF3COOH"	136.98208
"1576720"	551.06742	"C06654"	"4-Amino-anhydrotetracycline;4-Amino-ATC;4-Dedimethyl-6-dehydro-anhydrotetracycline"	"C20H18N2O7"	"398.1114"	"M+K+CF3COOH"	152.95602
"816206"	246.1328	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M"	0
"980630"	227.11441	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-H2O-H"	-19.01839
"73247"	163.081257333333	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M-3H"	-3.021828
"516089"	245.125524	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M-3H"	-3.021828
"891704"	81.0369906666667	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-3H"	-3.021828
"14288"	245.125524	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M-2H"	-2.014552
"452394"	368.191924	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M-2H"	-2.014552
"827641"	122.059124	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-2H"	-2.014552
"91282"	491.258324	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M-H"	-1.007276
"529384"	737.391124	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M-H"	-1.007276
"906460"	245.125524	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-H"	-1.007276
"55004"	508.284871	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M-2H+NH4"	16.019271
"494562"	754.417671	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M-2H+NH4"	16.019271
"872364"	262.152071	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-2H+NH4"	16.019271
"41362"	513.240266	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M-2H+Na"	20.974666
"482745"	759.373066	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M-2H+Na"	20.974666
"857632"	267.107466	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-2H+Na"	20.974666
"1623884"	267.107466	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Na-2H"	20.974666
"102600"	263.113863	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M-H+Cl"	33.962126
"537787"	386.180263	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M-H+Cl"	33.962126
"932396"	140.047463	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-H+Cl"	33.962126
"274233"	527.235002	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+Cl"	34.969402
"667744"	773.367802	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+Cl"	34.969402
"1284520"	281.102202	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Cl"	34.969402
"22701"	529.214206	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M-2H+K"	36.948606
"467728"	775.347006	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M-2H+K"	36.948606
"837876"	283.081406	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-2H+K"	36.948606
"1569019"	283.081406	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+K-2H"	36.948606
"951435"	291.130994	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-H+HCOOH"	44.998194
"371843"	537.263801	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+HCOOH-H"	44.998201
"360951"	551.279451	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+Hac-H"	59.013851
"1506380"	305.146651	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Hac-H"	59.013851
"973801"	313.112951	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-H+NaCOOH"	66.980151
"124656"	281.102202	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+2Cl"	69.938804
"565309"	404.168602	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+2Cl"	69.938804
"1035572"	158.035802	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2Cl"	69.938804
"1255511"	325.051685	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Br"	78.918885
"1319175"	327.107672	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Cl+HCOOH"	80.974872
"1333629"	349.089629	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Cl+NaCOOH"	102.956829
"923957"	359.118386	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M-H+CF3COOH"	112.985586
"1295561"	395.095064	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Cl+CF3COOH"	148.962264
"1381016"	211.120124	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H-2H2O"	-35.012676
"1397785"	229.1301	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H-H2O"	-17.0027
"295281"	493.272876	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+H"	1.007276
"690257"	739.405676	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+H"	1.007276
"1360769"	247.140076	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H"	1.007276
"131470"	247.140076	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+2H"	2.014552
"579909"	370.206476	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+2H"	2.014552
"1048589"	124.073676	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2H"	2.014552
"217957"	165.095809333333	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+3H"	3.021828
"651678"	247.140076	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+3H"	3.021828
"1175636"	83.0515426666667	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+3H"	3.021828
"438180"	510.299423	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+NH4"	18.033823
"791884"	756.432223	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+NH4"	18.033823
"1691495"	264.166623	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+NH4"	18.033823
"337586"	255.6533495	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+H+NH4"	19.041099
"735848"	378.7197495	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+H+NH4"	19.041099
"1487114"	132.5869495	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H+NH4"	19.041099
"404706"	515.254818	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+Na"	22.989218
"768373"	761.387618	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+Na"	22.989218
"1616354"	269.122018	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Na"	22.989218
"328212"	258.131047	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+H+Na"	23.996494
"715170"	381.197447	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+H+Na"	23.996494
"1471171"	135.064647	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H+Na"	23.996494
"1060048"	90.3788566666667	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2H+Na"	25.00377
"1263912"	279.166286	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+CH3OH+H"	33.033486
"384676"	531.228758	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+K"	38.963158
"750046"	777.361558	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+K"	38.963158
"1552098"	285.095958	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+K"	38.963158
"303804"	266.118017	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+H+K"	39.970434
"704615"	389.184417	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+H+K"	39.970434
"1456250"	143.051617	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H+K"	39.970434
"247399"	534.299426	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+ACN+H"	42.033826
"1215734"	288.166626	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+ACN+H"	42.033826
"1200712"	144.586951	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+ACN+2H"	43.041102
"199051"	537.23676	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+2Na-H"	44.97116
"630958"	783.36956	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+2Na-H"	44.97116
"1137745"	291.10396	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2Na-H"	44.97116
"178849"	269.122018	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+2Na"	45.978436
"621692"	392.188418	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+2Na"	45.978436
"1120822"	146.055618	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2Na"	45.978436
"1407624"	97.7061706666667	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H+2Na"	46.985712
"1430342"	293.145546	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H+HCOOH"	47.012746
"220810"	274.15504	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+3H2O+2H"	56.04448
"1512031"	307.19759	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+IsoProp+H"	61.06479
"410623"	277.108988	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+Na+K"	61.952376
"779278"	400.175388	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+Na+K"	61.952376
"1672328"	154.042588	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Na+K"	61.952376
"259941"	556.281368	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+ACN+Na"	64.015768
"1231923"	310.148568	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+ACN+Na"	64.015768
"1725189"	310.172093	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+NH4+HCOOH"	64.039293
"1186894"	105.033484666667	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+3Na"	68.967654
"1662254"	315.127488	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Na+HCOOH"	68.994688
"170207"	569.18464	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+2K-H"	76.91904
"602119"	815.31744	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+2K-H"	76.91904
"1094285"	323.05184	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2K-H"	76.91904
"147823"	285.095958	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"2M+2K"	77.926316
"591757"	408.162358	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"3M+2K"	77.926316
"1079546"	162.029558	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2K"	77.926316
"1108382"	325.066392	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2K+H"	78.933592
"1346955"	325.154007	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+DMSO+H"	79.021207
"1017673"	329.193176	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2ACN+H"	83.060376
"1533612"	330.186808	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+IsoProp+Na+H"	84.054008
"1000059"	165.100226	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+2ACN+2H"	84.067652
"1600031"	331.101428	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+K+HCOOH"	84.968628
"1429702"	361.132938	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+H+CF3COOH"	115.000138
"1161811"	185.613501	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+3ACN+2H"	125.094202
"1707715"	378.159485	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+NH4+CF3COOH"	132.026685
"1645553"	383.11488	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+Na+CF3COOH"	136.98208
"1576830"	399.08882	"C06655"	"L-N2-(2-Carboxyethyl)arginine;N2-(2-Carboxyethyl)-L-arginine"	"C9H18N4O4"	"246.1328"	"M+K+CF3COOH"	152.95602
"816561"	228.1222	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M"	0
"988389"	209.10381	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-H2O-H"	-19.01839
"75538"	151.074190666667	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M-3H"	-3.021828
"512915"	227.114924	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M-3H"	-3.021828
"887439"	75.0334573333333	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-3H"	-3.021828
"10388"	227.114924	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M-2H"	-2.014552
"452138"	341.176024	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M-2H"	-2.014552
"824470"	113.053824	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-2H"	-2.014552
"89932"	455.237124	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M-H"	-1.007276
"529494"	683.359324	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M-H"	-1.007276
"907297"	227.114924	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-H"	-1.007276
"56205"	472.263671	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M-2H+NH4"	16.019271
"493579"	700.385871	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M-2H+NH4"	16.019271
"872474"	244.141471	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-2H+NH4"	16.019271
"43293"	477.219066	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M-2H+Na"	20.974666
"484312"	705.341266	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M-2H+Na"	20.974666
"859564"	249.096866	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-2H+Na"	20.974666
"1623994"	249.096866	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Na-2H"	20.974666
"104898"	245.103263	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M-H+Cl"	33.962126
"537897"	359.164363	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M-H+Cl"	33.962126
"939434"	131.042163	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-H+Cl"	33.962126
"277623"	491.213802	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+Cl"	34.969402
"674049"	719.336002	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+Cl"	34.969402
"1287181"	263.091602	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Cl"	34.969402
"22811"	493.193006	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M-2H+K"	36.948606
"468931"	721.315206	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M-2H+K"	36.948606
"837986"	265.070806	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-2H+K"	36.948606
"1565849"	265.070806	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+K-2H"	36.948606
"951545"	273.120394	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-H+HCOOH"	44.998194
"373046"	501.242601	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+HCOOH-H"	44.998201
"360575"	515.258251	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+Hac-H"	59.013851
"1506854"	287.136051	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Hac-H"	59.013851
"973547"	295.102351	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-H+NaCOOH"	66.980151
"124768"	263.091602	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+2Cl"	69.938804
"564692"	377.152702	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+2Cl"	69.938804
"1035318"	149.030502	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2Cl"	69.938804
"1255989"	307.041085	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Br"	78.918885
"1319164"	309.097072	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Cl+HCOOH"	80.974872
"1335251"	331.079029	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Cl+NaCOOH"	102.956829
"925162"	341.107786	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M-H+CF3COOH"	112.985586
"1301869"	377.084464	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Cl+CF3COOH"	148.962264
"1382303"	193.109524	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H-2H2O"	-35.012676
"1398265"	211.1195	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H-H2O"	-17.0027
"297579"	457.251676	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+H"	1.007276
"690368"	685.373876	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+H"	1.007276
"1365256"	229.129476	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H"	1.007276
"137047"	229.129476	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+2H"	2.014552
"577704"	343.190576	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+2H"	2.014552
"1051617"	115.068376	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2H"	2.014552
"218431"	153.088742666667	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+3H"	3.021828
"654704"	229.129476	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+3H"	3.021828
"1176475"	77.0480093333333	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+3H"	3.021828
"435373"	474.278223	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+NH4"	18.033823
"791994"	702.400423	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+NH4"	18.033823
"1691605"	246.156023	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+NH4"	18.033823
"337696"	237.6427495	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+H+NH4"	19.041099
"729025"	351.7038495	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+H+NH4"	19.041099
"1487224"	123.5816495	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H+NH4"	19.041099
"404813"	479.233618	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+Na"	22.989218
"768361"	707.355818	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+Na"	22.989218
"1613905"	251.111418	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Na"	22.989218
"328561"	240.120447	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+H+Na"	23.996494
"718557"	354.181547	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+H+Na"	23.996494
"1471281"	126.059347	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H+Na"	23.996494
"1063437"	84.3753233333333	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2H+Na"	25.00377
"1269487"	261.155686	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+CH3OH+H"	33.033486
"385879"	495.207558	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+K"	38.963158
"747969"	723.329758	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+K"	38.963158
"1551115"	267.085358	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+K"	38.963158
"308286"	248.107417	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+H+K"	39.970434
"703996"	362.168517	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+H+K"	39.970434
"1457818"	134.046317	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H+K"	39.970434
"246418"	498.278226	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+ACN+H"	42.033826
"1219123"	270.156026	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+ACN+H"	42.033826
"1200822"	135.581651	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+ACN+2H"	43.041102
"195880"	501.21556	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+2Na-H"	44.97116
"629363"	729.33776	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+2Na-H"	44.97116
"1134574"	273.09336	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2Na-H"	44.97116
"184427"	251.111418	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+2Na"	45.978436
"623988"	365.172518	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+2Na"	45.978436
"1120932"	137.050318	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2Na"	45.978436
"1407734"	91.7026373333333	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H+2Na"	46.985712
"1430373"	275.134946	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H+HCOOH"	47.012746
"220920"	256.14444	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+3H2O+2H"	56.04448
"1512141"	289.18699	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+IsoProp+H"	61.06479
"409274"	259.098388	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+Na+K"	61.952376
"781574"	373.159488	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+Na+K"	61.952376
"1674624"	145.037288	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Na+K"	61.952376
"257865"	520.260168	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+ACN+Na"	64.015768
"1232761"	292.137968	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+ACN+Na"	64.015768
"1726023"	292.161493	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+NH4+HCOOH"	64.039293
"1187004"	99.0299513333333	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+3Na"	68.967654
"1659084"	297.116888	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Na+HCOOH"	68.994688
"168130"	533.16344	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+2K-H"	76.91904
"604415"	761.28564	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+2K-H"	76.91904
"1092208"	305.04124	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2K-H"	76.91904
"152304"	267.085358	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"2M+2K"	77.926316
"591864"	381.146458	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"3M+2K"	77.926316
"1077470"	153.024258	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2K"	77.926316
"1107399"	307.055792	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2K+H"	78.933592
"1345971"	307.143407	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+DMSO+H"	79.021207
"1018876"	311.182576	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2ACN+H"	83.060376
"1534815"	312.176208	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+IsoProp+Na+H"	84.054008
"1002355"	156.094926	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+2ACN+2H"	84.067652
"1599046"	313.090828	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+K+HCOOH"	84.968628
"1427622"	343.122338	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+H+CF3COOH"	115.000138
"1162528"	176.608201	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+3ACN+2H"	125.094202
"1707825"	360.148885	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+NH4+CF3COOH"	132.026685
"1646756"	365.10428	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+Na+CF3COOH"	136.98208
"1580220"	381.07822	"C06656"	"Deoxyguanidinoproclavaminic acid;Deoxyguanidinoproclavaminate;Deoxyamidinoproclavaminate"	"C9H16N4O3"	"228.1222"	"M+K+CF3COOH"	152.95602
"816428"	244.1172	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M"	0
"987410"	225.09881	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-H2O-H"	-19.01839
"75651"	161.737524	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M-3H"	-3.021828
"516305"	243.109924	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M-3H"	-3.021828
"886456"	80.365124	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-3H"	-3.021828
"3936"	243.109924	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M-2H"	-2.014552
"447873"	365.168524	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M-2H"	-2.014552
"822394"	121.051324	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-2H"	-2.014552
"90042"	487.227124	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M-H"	-1.007276
"529972"	731.344324	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M-H"	-1.007276
"908136"	243.109924	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-H"	-1.007276
"54128"	504.253671	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M-2H+NH4"	16.019271
"498063"	748.370871	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M-2H+NH4"	16.019271
"875864"	260.136471	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-2H+NH4"	16.019271
"44134"	509.209066	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M-2H+Na"	20.974666
"484422"	753.326266	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M-2H+Na"	20.974666
"861861"	265.091866	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-2H+Na"	20.974666
"1631760"	265.091866	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Na-2H"	20.974666
"107198"	261.098263	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M-H+Cl"	33.962126
"544569"	383.156863	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M-H+Cl"	33.962126
"939544"	139.039663	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-H+Cl"	33.962126
"280408"	523.203802	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+Cl"	34.969402
"673072"	767.321002	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+Cl"	34.969402
"1287657"	279.086602	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Cl"	34.969402
"30214"	525.183006	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M-2H+K"	36.948606
"470136"	769.300206	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M-2H+K"	36.948606
"848309"	281.065806	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-2H+K"	36.948606
"1568146"	281.065806	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+K-2H"	36.948606
"954937"	289.115394	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-H+HCOOH"	44.998194
"373156"	533.232601	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+HCOOH-H"	44.998201
"360564"	547.248251	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+Hac-H"	59.013851
"1506487"	303.131051	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Hac-H"	59.013851
"973298"	311.097351	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-H+NaCOOH"	66.980151
"124759"	279.086602	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+2Cl"	69.938804
"563954"	401.145202	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+2Cl"	69.938804
"1035791"	157.028002	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2Cl"	69.938804
"1256828"	323.036085	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Br"	78.918885
"1319521"	325.092072	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Cl+HCOOH"	80.974872
"1335195"	347.074029	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Cl+NaCOOH"	102.956829
"927057"	357.102786	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M-H+CF3COOH"	112.985586
"1302342"	393.079464	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Cl+CF3COOH"	148.962264
"1381966"	209.104524	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H-2H2O"	-35.012676
"1397643"	227.1145	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H-H2O"	-17.0027
"296599"	489.241676	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+H"	1.007276
"689385"	733.358876	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+H"	1.007276
"1366093"	245.124476	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H"	1.007276
"141360"	245.124476	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+2H"	2.014552
"570523"	367.183076	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+2H"	2.014552
"1052218"	123.065876	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2H"	2.014552
"218903"	163.752076	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+3H"	3.021828
"657730"	245.124476	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+3H"	3.021828
"1176951"	82.379676	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+3H"	3.021828
"436213"	506.268223	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+NH4"	18.033823
"799396"	750.385423	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+NH4"	18.033823
"1695726"	262.151023	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+NH4"	18.033823
"341087"	253.6377495	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+H+NH4"	19.041099
"732414"	375.6963495	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+H+NH4"	19.041099
"1487334"	131.5791495	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H+NH4"	19.041099
"406381"	511.223618	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+Na"	22.989218
"769885"	755.340818	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+Na"	22.989218
"1618289"	267.106418	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Na"	22.989218
"328914"	256.115447	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+H+Na"	23.996494
"721826"	378.174047	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+H+Na"	23.996494
"1474671"	134.056847	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H+Na"	23.996494
"1066464"	89.70699	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2H+Na"	25.00377
"1270329"	277.150686	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+CH3OH+H"	33.033486
"389271"	527.197558	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+K"	38.963158
"751360"	771.314758	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+K"	38.963158
"1549038"	283.080358	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+K"	38.963158
"310583"	264.102417	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+H+K"	39.970434
"706866"	386.161017	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+H+K"	39.970434
"1458658"	142.043817	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H+K"	39.970434
"249448"	530.268226	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+ACN+H"	42.033826
"1219236"	286.151026	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+ACN+H"	42.033826
"1204212"	143.579151	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+ACN+2H"	43.041102
"195991"	533.20556	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+2Na-H"	44.97116
"629595"	777.32276	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+2Na-H"	44.97116
"1137964"	289.08836	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2Na-H"	44.97116
"185630"	267.106418	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+2Na"	45.978436
"625921"	389.165018	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+2Na"	45.978436
"1124323"	145.047818	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2Na"	45.978436
"1402379"	97.034304	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H+2Na"	46.985712
"1436680"	291.129946	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H+HCOOH"	47.012746
"227469"	272.13944	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+3H2O+2H"	56.04448
"1518813"	305.18199	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+IsoProp+H"	61.06479
"420685"	275.093388	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+Na+K"	61.952376
"781322"	397.151988	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+Na+K"	61.952376
"1674734"	153.034788	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Na+K"	61.952376
"261256"	552.250168	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+ACN+Na"	64.015768
"1237977"	308.132968	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+ACN+Na"	64.015768
"1725040"	308.156493	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+NH4+HCOOH"	64.039293
"1189302"	104.361618	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+3Na"	68.967654
"1663814"	313.111888	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Na+HCOOH"	68.994688
"170428"	565.15344	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+2K-H"	76.91904
"604525"	809.27064	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+2K-H"	76.91904
"1093411"	321.03624	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2K-H"	76.91904
"153506"	283.080358	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"2M+2K"	77.926316
"593067"	405.138958	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"3M+2K"	77.926316
"1077581"	161.021758	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2K"	77.926316
"1107510"	323.050792	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2K+H"	78.933592
"1346082"	323.138407	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+DMSO+H"	79.021207
"1017892"	327.177576	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2ACN+H"	83.060376
"1534925"	328.171208	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+IsoProp+Na+H"	84.054008
"1001371"	164.092426	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+2ACN+2H"	84.067652
"1596968"	329.085828	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+K+HCOOH"	84.968628
"1427004"	359.117338	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+H+CF3COOH"	115.000138
"1155102"	184.605701	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+3ACN+2H"	125.094202
"1706841"	376.143885	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+NH4+CF3COOH"	132.026685
"1645772"	381.09928	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+Na+CF3COOH"	136.98208
"1577051"	397.07322	"C06657"	"Guanidinoproclavaminic acid;Guanidinoproclavaminate;Amidinoproclavaminate"	"C9H16N4O4"	"244.1172"	"M+K+CF3COOH"	152.95602
"816914"	202.0954	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M"	0
"989685"	183.07701	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-H2O-H"	-19.01839
"78471"	133.722990666667	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M-3H"	-3.021828
"518462"	201.088124	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M-3H"	-3.021828
"886565"	66.3578573333333	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-3H"	-3.021828
"4046"	201.088124	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M-2H"	-2.014552
"449076"	302.135824	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M-2H"	-2.014552
"824690"	100.040424	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-2H"	-2.014552
"87965"	403.183524	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M-H"	-1.007276
"533480"	605.278924	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M-H"	-1.007276
"910067"	201.088124	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-H"	-1.007276
"59708"	420.210071	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M-2H+NH4"	16.019271
"500725"	622.305471	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M-2H+NH4"	16.019271
"878526"	218.114671	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-2H+NH4"	16.019271
"45580"	425.165466	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M-2H+Na"	20.974666
"485266"	627.260866	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M-2H+Na"	20.974666
"862946"	223.070066	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-2H+Na"	20.974666
"1633214"	223.070066	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Na-2H"	20.974666
"108769"	219.076463	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M-H+Cl"	33.962126
"548329"	320.124163	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M-H+Cl"	33.962126
"940020"	118.028763	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-H+Cl"	33.962126
"280763"	439.160202	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+Cl"	34.969402
"673185"	641.255602	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+Cl"	34.969402
"1288339"	237.064802	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Cl"	34.969402
"30975"	441.139406	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M-2H+K"	36.948606
"470897"	643.234806	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M-2H+K"	36.948606
"848414"	239.044006	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-2H+K"	36.948606
"1570080"	239.044006	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+K-2H"	36.948606
"953589"	247.093594	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-H+HCOOH"	44.998194
"375088"	449.189001	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+HCOOH-H"	44.998201
"360675"	463.204651	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+Hac-H"	59.013851
"1507566"	261.109251	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Hac-H"	59.013851
"973974"	269.075551	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-H+NaCOOH"	66.980151
"124870"	237.064802	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+2Cl"	69.938804
"564550"	338.112502	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+2Cl"	69.938804
"1035901"	136.017102	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2Cl"	69.938804
"1257020"	281.014285	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Br"	78.918885
"1319712"	283.070272	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Cl+HCOOH"	80.974872
"1335388"	305.052229	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Cl+NaCOOH"	102.956829
"926962"	315.080986	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M-H+CF3COOH"	112.985586
"1301724"	351.057664	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Cl+CF3COOH"	148.962264
"1380983"	167.082724	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H-2H2O"	-35.012676
"1398118"	185.0927	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H-H2O"	-17.0027
"295980"	405.198076	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+H"	1.007276
"689126"	607.293476	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+H"	1.007276
"1366327"	203.102676	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H"	1.007276
"137267"	203.102676	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+2H"	2.014552
"570269"	304.150376	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+2H"	2.014552
"1052204"	102.054976	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2H"	2.014552
"219011"	135.737542666667	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+3H"	3.021828
"655288"	203.102676	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+3H"	3.021828
"1175968"	68.3724093333333	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+3H"	3.021828
"435230"	422.224623	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+NH4"	18.033823
"796589"	624.320023	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+NH4"	18.033823
"1692192"	220.129223	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+NH4"	18.033823
"340469"	211.6159495	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+H+NH4"	19.041099
"734347"	312.6636495	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+H+NH4"	19.041099
"1484164"	110.5682495	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H+NH4"	19.041099
"407221"	427.180018	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+Na"	22.989218
"769559"	629.275418	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+Na"	22.989218
"1617407"	225.084618	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Na"	22.989218
"326350"	214.093647	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+H+Na"	23.996494
"720603"	315.141347	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+H+Na"	23.996494
"1476733"	113.045947	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H+Na"	23.996494
"1067671"	75.6997233333333	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2H+Na"	25.00377
"1271172"	235.128886	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+CH3OH+H"	33.033486
"391571"	443.153958	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+K"	38.963158
"753535"	645.249358	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+K"	38.963158
"1553520"	241.058558	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+K"	38.963158
"309600"	222.080617	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+H+K"	39.970434
"707058"	323.128317	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+H+K"	39.970434
"1461245"	121.032917	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H+K"	39.970434
"251255"	446.224626	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+ACN+H"	42.033826
"1221533"	244.129226	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+ACN+H"	42.033826
"1207238"	122.568251	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+ACN+2H"	43.041102
"201933"	449.16196	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+2Na-H"	44.97116
"640765"	651.25736	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+2Na-H"	44.97116
"1138075"	247.06656	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2Na-H"	44.97116
"185740"	225.084618	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+2Na"	45.978436
"624938"	326.132318	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+2Na"	45.978436
"1124433"	124.036918	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2Na"	45.978436
"1407956"	83.0270373333333	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H+2Na"	46.985712
"1444445"	249.108146	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H+HCOOH"	47.012746
"233412"	230.11764	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+3H2O+2H"	56.04448
"1522204"	263.16019	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+IsoProp+H"	61.06479
"422989"	233.071588	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+Na+K"	61.952376
"782891"	334.119288	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+Na+K"	61.952376
"1677763"	132.023888	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Na+K"	61.952376
"264284"	468.206568	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+ACN+Na"	64.015768
"1238454"	266.111168	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+ACN+Na"	64.015768
"1726246"	266.134693	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+NH4+HCOOH"	64.039293
"1191964"	90.3543513333333	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+3Na"	68.967654
"1665017"	271.090088	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Na+HCOOH"	68.994688
"172364"	481.10984	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+2K-H"	76.91904
"607915"	683.20524	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+2K-H"	76.91904
"1097532"	279.01444	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2K-H"	76.91904
"155802"	241.058558	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"2M+2K"	77.926316
"592083"	342.106258	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"3M+2K"	77.926316
"1082795"	140.010858	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2K"	77.926316
"1113087"	281.028992	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2K+H"	78.933592
"1350082"	281.116607	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+DMSO+H"	79.021207
"1020555"	285.155776	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2ACN+H"	83.060376
"1538681"	286.149408	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+IsoProp+Na+H"	84.054008
"1004399"	143.081526	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+2ACN+2H"	84.067652
"1602578"	287.064028	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+K+HCOOH"	84.968628
"1429301"	317.095538	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+H+CF3COOH"	115.000138
"1155212"	163.594801	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+3ACN+2H"	125.094202
"1706951"	334.122085	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+NH4+CF3COOH"	132.026685
"1645882"	339.07748	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+Na+CF3COOH"	136.98208
"1577161"	355.05142	"C06658"	"Proclavaminic acid;Proclavaminate"	"C8H14N2O4"	"202.0954"	"M+K+CF3COOH"	152.95602
"815797"	200.0797	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M"	0
"984346"	181.06131	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-H2O-H"	-19.01839
"72587"	132.379190666667	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M-3H"	-3.021828
"513241"	199.072424	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M-3H"	-3.021828
"887766"	65.6859573333333	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-3H"	-3.021828
"263"	199.072424	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M-2H"	-2.014552
"450274"	299.112274	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M-2H"	-2.014552
"818237"	99.032574	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-2H"	-2.014552
"83698"	399.152124	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M-H"	-1.007276
"522531"	599.231824	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M-H"	-1.007276
"905437"	199.072424	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-H"	-1.007276
"58726"	416.178671	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M-2H+NH4"	16.019271
"500106"	616.258371	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M-2H+NH4"	16.019271
"878517"	216.098971	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-2H+NH4"	16.019271
"45570"	421.134066	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M-2H+Na"	20.974666
"485737"	621.213766	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M-2H+Na"	20.974666
"861355"	221.054366	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-2H+Na"	20.974666
"1632712"	221.054366	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Na-2H"	20.974666
"107418"	217.060763	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M-H+Cl"	33.962126
"548802"	317.100613	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M-H+Cl"	33.962126
"941953"	117.020913	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-H+Cl"	33.962126
"280508"	435.128802	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+Cl"	34.969402
"673655"	635.208502	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+Cl"	34.969402
"1287147"	235.049102	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Cl"	34.969402
"28609"	437.108006	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M-2H+K"	36.948606
"469263"	637.187706	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M-2H+K"	36.948606
"847919"	237.028306	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-2H+K"	36.948606
"1569096"	237.028306	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+K-2H"	36.948606
"954792"	245.077894	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-H+HCOOH"	44.998194
"374834"	445.157601	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+HCOOH-H"	44.998201
"361298"	459.173251	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+Hac-H"	59.013851
"1506091"	259.093551	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Hac-H"	59.013851
"973517"	267.059851	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-H+NaCOOH"	66.980151
"125340"	235.049102	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+2Cl"	69.938804
"565267"	335.088952	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+2Cl"	69.938804
"1036699"	135.009252	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2Cl"	69.938804
"1256927"	278.998585	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Br"	78.918885
"1319493"	281.054572	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Cl+HCOOH"	80.974872
"1335585"	303.036529	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Cl+NaCOOH"	102.956829
"927067"	313.065286	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M-H+CF3COOH"	112.985586
"1303054"	349.041964	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Cl+CF3COOH"	148.962264
"1381215"	165.067024	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H-2H2O"	-35.012676
"1398148"	183.077	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H-H2O"	-17.0027
"296818"	401.166676	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+H"	1.007276
"688872"	601.246376	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+H"	1.007276
"1366638"	201.086976	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H"	1.007276
"137378"	201.086976	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+2H"	2.014552
"574754"	301.126826	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+2H"	2.014552
"1046477"	101.047126	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2H"	2.014552
"216568"	134.393742666667	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+3H"	3.021828
"652117"	201.086976	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+3H"	3.021828
"1172796"	67.7005093333333	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+3H"	3.021828
"436433"	418.193223	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+NH4"	18.033823
"799983"	618.272923	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+NH4"	18.033823
"1692666"	218.113523	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+NH4"	18.033823
"340579"	209.6002495	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+H+NH4"	19.041099
"734093"	309.6400995	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+H+NH4"	19.041099
"1483179"	109.5603995	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H+NH4"	19.041099
"399673"	423.148618	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+Na"	22.989218
"761762"	623.228318	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+Na"	22.989218
"1606580"	223.068918	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Na"	22.989218
"324273"	212.077947	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+H+Na"	23.996494
"722046"	312.117797	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+H+Na"	23.996494
"1475624"	112.038097	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H+Na"	23.996494
"1065591"	75.0278233333333	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2H+Na"	25.00377
"1269820"	233.113186	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+CH3OH+H"	33.033486
"388395"	439.122558	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+K"	38.963158
"751579"	639.202258	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+K"	38.963158
"1553264"	239.042858	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+K"	38.963158
"309709"	220.064917	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+H+K"	39.970434
"703226"	320.104767	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+H+K"	39.970434
"1460859"	120.025067	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H+K"	39.970434
"250395"	442.193226	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+ACN+H"	42.033826
"1222736"	242.113526	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+ACN+H"	42.033826
"1208441"	121.560401	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+ACN+2H"	43.041102
"199493"	445.13056	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+2Na-H"	44.97116
"640145"	645.21026	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+2Na-H"	44.97116
"1144018"	245.05086	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2Na-H"	44.97116
"180382"	223.068918	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+2Na"	45.978436
"623224"	323.108768	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+2Na"	45.978436
"1124543"	123.029068	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2Na"	45.978436
"1405879"	82.3551373333333	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H+2Na"	46.985712
"1442365"	247.092446	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H+HCOOH"	47.012746
"228781"	228.10194	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+3H2O+2H"	56.04448
"1517938"	261.14449	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+IsoProp+H"	61.06479
"418719"	231.055888	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+Na+K"	61.952376
"781906"	331.095738	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+Na+K"	61.952376
"1679330"	131.016038	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Na+K"	61.952376
"265123"	464.175168	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+ACN+Na"	64.015768
"1239293"	264.095468	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+ACN+Na"	64.015768
"1726354"	264.118993	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+NH4+HCOOH"	64.039293
"1189520"	89.6824513333333	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+3Na"	68.967654
"1658319"	269.074388	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Na+HCOOH"	68.994688
"171740"	477.07844	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+2K-H"	76.91904
"606933"	677.15814	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+2K-H"	76.91904
"1096910"	276.99874	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2K-H"	76.91904
"150445"	239.042858	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"2M+2K"	77.926316
"593286"	339.082708	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"3M+2K"	77.926316
"1082174"	139.003008	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2K"	77.926316
"1108822"	279.013292	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2K+H"	78.933592
"1347395"	279.100907	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+DMSO+H"	79.021207
"1018110"	283.140076	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2ACN+H"	83.060376
"1536237"	284.133708	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+IsoProp+Na+H"	84.054008
"999404"	142.073676	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+2ACN+2H"	84.067652
"1595001"	285.048328	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+K+HCOOH"	84.968628
"1426128"	315.079838	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+H+CF3COOH"	115.000138
"1154229"	162.586951	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+3ACN+2H"	125.094202
"1704873"	332.106385	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+NH4+CF3COOH"	132.026685
"1639431"	337.06178	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+Na+CF3COOH"	136.98208
"1573990"	353.03572	"C06659"	"Dihydroclavaminic acid;Dihydroclavaminate"	"C8H12N2O4"	"200.0797"	"M+K+CF3COOH"	152.95602
"814570"	198.0641	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M"	0
"981176"	179.04571	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-H2O-H"	-19.01839
"71604"	131.035457333333	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M-3H"	-3.021828
"513351"	197.056824	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M-3H"	-3.021828
"890062"	65.0140906666667	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-3H"	-3.021828
"8636"	197.056824	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M-2H"	-2.014552
"447104"	296.088874	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M-2H"	-2.014552
"817369"	98.024774	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-2H"	-2.014552
"83808"	395.120924	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M-H"	-1.007276
"523734"	593.185024	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M-H"	-1.007276
"906640"	197.056824	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-H"	-1.007276
"59931"	412.147471	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M-2H+NH4"	16.019271
"499855"	610.211571	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M-2H+NH4"	16.019271
"878020"	214.083371	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-2H+NH4"	16.019271
"45923"	417.102866	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M-2H+Na"	20.974666
"485484"	615.166966	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M-2H+Na"	20.974666
"862194"	219.038766	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-2H+Na"	20.974666
"1631728"	219.038766	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Na-2H"	20.974666
"108258"	215.045163	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M-H+Cl"	33.962126
"549685"	314.077213	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M-H+Cl"	33.962126
"942387"	116.013113	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-H+Cl"	33.962126
"280982"	431.097602	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+Cl"	34.969402
"672672"	629.161702	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+Cl"	34.969402
"1287258"	233.033502	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Cl"	34.969402
"28355"	433.076806	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M-2H+K"	36.948606
"469009"	631.140906	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M-2H+K"	36.948606
"847670"	235.012706	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-2H+K"	36.948606
"1569206"	235.012706	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+K-2H"	36.948606
"953809"	243.062294	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-H+HCOOH"	44.998194
"374580"	441.126401	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+HCOOH-H"	44.998201
"356275"	455.142051	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+Hac-H"	59.013851
"1506930"	257.077951	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Hac-H"	59.013851
"973260"	265.044251	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-H+NaCOOH"	66.980151
"125657"	233.033502	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+2Cl"	69.938804
"564770"	332.065552	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+2Cl"	69.938804
"1036849"	134.001452	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2Cl"	69.938804
"1256919"	276.982985	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Br"	78.918885
"1319360"	279.038972	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Cl+HCOOH"	80.974872
"1335276"	301.020929	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Cl+NaCOOH"	102.956829
"926665"	311.049686	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M-H+CF3COOH"	112.985586
"1303528"	347.026364	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Cl+CF3COOH"	148.962264
"1381446"	163.051424	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H-2H2O"	-35.012676
"1397853"	181.0614	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H-H2O"	-17.0027
"296929"	397.135476	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+H"	1.007276
"687160"	595.199576	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+H"	1.007276
"1366424"	199.071376	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H"	1.007276
"136760"	199.071376	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+2H"	2.014552
"574500"	298.103426	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+2H"	2.014552
"1046588"	100.039326	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2H"	2.014552
"219231"	133.050009333333	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+3H"	3.021828
"655508"	199.071376	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+3H"	3.021828
"1174363"	67.0286426666667	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+3H"	3.021828
"434720"	414.162023	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+NH4"	18.033823
"800700"	612.226123	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+NH4"	18.033823
"1693140"	216.097923	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+NH4"	18.033823
"342148"	207.5846495	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+H+NH4"	19.041099
"728371"	306.6166995	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+H+NH4"	19.041099
"1486568"	108.5525995	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H+NH4"	19.041099
"401971"	419.117418	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+Na"	22.989218
"761871"	617.181518	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+Na"	22.989218
"1607783"	221.053318	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Na"	22.989218
"317822"	210.062347	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+H+Na"	23.996494
"721063"	309.094397	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+H+Na"	23.996494
"1474277"	111.030297	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H+Na"	23.996494
"1065700"	74.3559566666667	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2H+Na"	25.00377
"1267744"	231.097586	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+CH3OH+H"	33.033486
"389601"	435.091358	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+K"	38.963158
"750596"	633.155458	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+K"	38.963158
"1553740"	237.027258	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+K"	38.963158
"306539"	218.049317	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+H+K"	39.970434
"702243"	317.081367	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+H+K"	39.970434
"1460076"	119.017267	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H+K"	39.970434
"245766"	438.162026	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+ACN+H"	42.033826
"1220660"	240.097926	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+ACN+H"	42.033826
"1203446"	120.552601	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+ACN+2H"	43.041102
"201060"	441.09936	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+2Na-H"	44.97116
"630414"	639.16346	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+2Na-H"	44.97116
"1138294"	243.03526	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2Na-H"	44.97116
"177212"	221.053318	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+2Na"	45.978436
"616773"	320.085368	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+2Na"	45.978436
"1119914"	122.021268	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2Na"	45.978436
"1403073"	81.6832706666667	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H+2Na"	46.985712
"1432634"	245.076846	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H+HCOOH"	47.012746
"224517"	226.08634	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+3H2O+2H"	56.04448
"1514767"	259.12889	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+IsoProp+H"	61.06479
"418829"	229.040288	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+Na+K"	61.952376
"780921"	328.072338	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+Na+K"	61.952376
"1676161"	130.008238	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Na+K"	61.952376
"265233"	460.143968	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+ACN+Na"	64.015768
"1238672"	262.079868	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+ACN+Na"	64.015768
"1725371"	262.103393	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+NH4+HCOOH"	64.039293
"1187444"	89.0105846666667	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+3Na"	68.967654
"1657336"	267.058788	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Na+HCOOH"	68.994688
"171850"	473.04724	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+2K-H"	76.91904
"608135"	671.11134	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+2K-H"	76.91904
"1097020"	274.98314	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2K-H"	76.91904
"150555"	237.027258	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"2M+2K"	77.926316
"590116"	336.059308	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"3M+2K"	77.926316
"1081190"	137.995208	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2K"	77.926316
"1111119"	276.997692	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2K+H"	78.933592
"1343130"	277.085307	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+DMSO+H"	79.021207
"1014940"	281.124476	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2ACN+H"	83.060376
"1533065"	282.118108	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+IsoProp+Na+H"	84.054008
"998421"	141.065876	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+2ACN+2H"	84.067652
"1600577"	283.032728	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+K+HCOOH"	84.968628
"1420771"	313.064238	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+H+CF3COOH"	115.000138
"1154339"	161.579151	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+3ACN+2H"	125.094202
"1704982"	330.090785	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+NH4+CF3COOH"	132.026685
"1638446"	335.04618	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+Na+CF3COOH"	136.98208
"1574100"	351.02012	"C06660"	"Clavaminic acid;Clavaminate"	"C8H10N2O4"	"198.0641"	"M+K+CF3COOH"	152.95602
"814681"	197.0324	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M"	0
"981286"	178.01401	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-H2O-H"	-19.01839
"71714"	130.347657333333	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M-3H"	-3.021828
"513461"	196.025124	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M-3H"	-3.021828
"892359"	64.6701906666667	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-3H"	-3.021828
"10933"	196.025124	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M-2H"	-2.014552
"443934"	294.541324	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M-2H"	-2.014552
"817845"	97.508924	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-2H"	-2.014552
"83918"	393.057524	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M-H"	-1.007276
"520200"	590.089924	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M-H"	-1.007276
"903470"	196.025124	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-H"	-1.007276
"57486"	410.084071	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M-2H+NH4"	16.019271
"498868"	607.116471	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M-2H+NH4"	16.019271
"875944"	213.051671	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-2H+NH4"	16.019271
"44209"	415.039466	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M-2H+Na"	20.974666
"482674"	612.071866	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M-2H+Na"	20.974666
"863034"	218.007066	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-2H+Na"	20.974666
"1630743"	218.007066	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Na-2H"	20.974666
"107272"	214.013463	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M-H+Cl"	33.962126
"544280"	312.529663	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M-H+Cl"	33.962126
"940712"	115.497263	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-H+Cl"	33.962126
"279998"	429.034202	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+Cl"	34.969402
"672050"	626.066602	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+Cl"	34.969402
"1286274"	232.001802	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Cl"	34.969402
"24455"	431.013406	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M-2H+K"	36.948606
"468029"	628.045806	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M-2H+K"	36.948606
"846807"	233.981006	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-2H+K"	36.948606
"1565305"	233.981006	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+K-2H"	36.948606
"954283"	242.030594	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-H+HCOOH"	44.998194
"374813"	439.063001	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+HCOOH-H"	44.998201
"356385"	453.078651	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+Hac-H"	59.013851
"1505949"	256.046251	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Hac-H"	59.013851
"971671"	264.012551	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-H+NaCOOH"	66.980151
"124955"	232.001802	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+2Cl"	69.938804
"564150"	330.518002	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+2Cl"	69.938804
"1036758"	133.485602	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2Cl"	69.938804
"1256542"	275.951285	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Br"	78.918885
"1319227"	278.007272	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Cl+HCOOH"	80.974872
"1334902"	299.989229	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Cl+NaCOOH"	102.956829
"925715"	310.017986	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M-H+CF3COOH"	112.985586
"1302788"	345.994664	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Cl+CF3COOH"	148.962264
"1378392"	162.019724	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H-2H2O"	-35.012676
"1396984"	180.0297	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H-H2O"	-17.0027
"296309"	395.072076	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+H"	1.007276
"688728"	592.104476	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+H"	1.007276
"1364346"	198.039676	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H"	1.007276
"137598"	198.039676	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+2H"	2.014552
"574972"	296.555876	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+2H"	2.014552
"1051803"	99.523476	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2H"	2.014552
"218978"	132.362209333333	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+3H"	3.021828
"654525"	198.039676	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+3H"	3.021828
"1174837"	66.6847426666667	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+3H"	3.021828
"438477"	412.098623	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+NH4"	18.033823
"799838"	609.131023	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+NH4"	18.033823
"1693250"	215.066223	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+NH4"	18.033823
"342258"	206.5529495	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+H+NH4"	19.041099
"731762"	305.0691495	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+H+NH4"	19.041099
"1487771"	108.0367495	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H+NH4"	19.041099
"403174"	417.054018	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+Na"	22.989218
"760889"	614.086418	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+Na"	22.989218
"1608988"	220.021618	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Na"	22.989218
"320118"	209.030647	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+H+Na"	23.996494
"722028"	307.546847	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+H+Na"	23.996494
"1474025"	110.514447	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H+Na"	23.996494
"1066177"	74.0120566666667	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2H+Na"	25.00377
"1268948"	230.065886	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+CH3OH+H"	33.033486
"388617"	433.027958	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+K"	38.963158
"752893"	630.060358	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+K"	38.963158
"1552392"	235.995558	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+K"	38.963158
"306649"	217.017617	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+H+K"	39.970434
"701989"	315.533817	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+H+K"	39.970434
"1460066"	118.501417	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H+K"	39.970434
"248792"	436.098626	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+ACN+H"	42.033826
"1221500"	239.066226	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+ACN+H"	42.033826
"1206836"	120.036751	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+ACN+2H"	43.041102
"198618"	439.03596	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+2Na-H"	44.97116
"634898"	636.06836	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+2Na-H"	44.97116
"1138405"	242.00356	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2Na-H"	44.97116
"178416"	220.021618	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+2Na"	45.978436
"620163"	318.537818	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+2Na"	45.978436
"1121847"	121.505418	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2Na"	45.978436
"1408286"	81.3393706666667	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H+2Na"	46.985712
"1433838"	244.045146	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H+HCOOH"	47.012746
"226814"	225.05464	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+3H2O+2H"	56.04448
"1514877"	258.09719	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+IsoProp+H"	61.06479
"418938"	228.008588	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+Na+K"	61.952376
"780303"	326.524788	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+Na+K"	61.952376
"1677000"	129.492388	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Na+K"	61.952376
"262427"	458.080568	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+ACN+Na"	64.015768
"1239510"	261.048168	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+ACN+Na"	64.015768
"1725481"	261.071693	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+NH4+HCOOH"	64.039293
"1188647"	88.6666846666667	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+3Na"	68.967654
"1661819"	266.027088	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Na+HCOOH"	68.994688
"169775"	470.98384	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+2K-H"	76.91904
"608245"	668.01624	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+2K-H"	76.91904
"1097130"	273.95144	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2K-H"	76.91904
"150665"	235.995558	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"2M+2K"	77.926316
"591319"	334.511758	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"3M+2K"	77.926316
"1082031"	137.479358	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2K"	77.926316
"1113415"	275.965992	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2K+H"	78.933592
"1349681"	276.053607	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+DMSO+H"	79.021207
"1019304"	280.092776	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2ACN+H"	83.060376
"1534269"	281.086408	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+IsoProp+Na+H"	84.054008
"997437"	140.550026	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+2ACN+2H"	84.067652
"1599594"	282.001028	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+K+HCOOH"	84.968628
"1425256"	312.032538	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+H+CF3COOH"	115.000138
"1156637"	161.063301	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+3ACN+2H"	125.094202
"1708373"	329.059085	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+NH4+CF3COOH"	132.026685
"1638556"	334.01448	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+Na+CF3COOH"	136.98208
"1573115"	349.98842	"C06661"	"Clavulanate-9-aldehyde"	"C8H7NO5"	"197.0324"	"M+K+CF3COOH"	152.95602
"815520"	199.0481	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M"	0
"987594"	180.02971	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-H2O-H"	-19.01839
"74015"	131.691457333333	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M-3H"	-3.021828
"513570"	198.040824	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M-3H"	-3.021828
"892469"	65.3420906666667	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-3H"	-3.021828
"13231"	198.040824	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M-2H"	-2.014552
"449510"	297.564874	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M-2H"	-2.014552
"827311"	98.516774	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-2H"	-2.014552
"93990"	397.088924	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M-H"	-1.007276
"525777"	596.137024	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M-H"	-1.007276
"903580"	198.040824	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-H"	-1.007276
"58687"	414.115471	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M-2H+NH4"	16.019271
"498612"	613.163571	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M-2H+NH4"	16.019271
"877026"	215.067371	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-2H+NH4"	16.019271
"44197"	419.070866	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M-2H+Na"	20.974666
"484244"	618.118966	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M-2H+Na"	20.974666
"861320"	220.022766	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-2H+Na"	20.974666
"1632312"	220.022766	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Na-2H"	20.974666
"108841"	216.029163	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M-H+Cl"	33.962126
"548524"	315.553213	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M-H+Cl"	33.962126
"940822"	116.505113	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-H+Cl"	33.962126
"280108"	433.065602	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+Cl"	34.969402
"672891"	632.113702	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+Cl"	34.969402
"1286752"	234.017502	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Cl"	34.969402
"27847"	435.044806	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M-2H+K"	36.948606
"469961"	634.092906	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M-2H+K"	36.948606
"847886"	235.996706	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-2H+K"	36.948606
"1570520"	235.996706	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+K-2H"	36.948606
"957311"	244.046294	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-H+HCOOH"	44.998194
"375164"	443.094401	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+HCOOH-H"	44.998201
"357225"	457.110051	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+Hac-H"	59.013851
"1504964"	258.061951	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Hac-H"	59.013851
"971413"	266.028251	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-H+NaCOOH"	66.980151
"124584"	234.017502	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+2Cl"	69.938804
"563164"	333.541552	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+2Cl"	69.938804
"1034514"	134.493452	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2Cl"	69.938804
"1254458"	277.966985	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Br"	78.918885
"1316904"	280.022972	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Cl+HCOOH"	80.974872
"1332577"	302.004929	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Cl+NaCOOH"	102.956829
"923637"	312.033686	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M-H+CF3COOH"	112.985586
"1301437"	348.010364	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Cl+CF3COOH"	148.962264
"1380690"	164.035424	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H-2H2O"	-35.012676
"1393083"	182.0454	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H-H2O"	-17.0027
"287301"	399.103476	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+H"	1.007276
"681909"	598.151576	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+H"	1.007276
"1359352"	200.055376	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H"	1.007276
"132239"	200.055376	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+2H"	2.014552
"569615"	299.579426	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+2H"	2.014552
"1048633"	100.531326	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2H"	2.014552
"219655"	133.706009333333	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+3H"	3.021828
"654635"	200.055376	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+3H"	3.021828
"1171667"	67.3566426666667	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+3H"	3.021828
"434212"	416.130023	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+NH4"	18.033823
"793749"	615.178123	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+NH4"	18.033823
"1690810"	217.081923	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+NH4"	18.033823
"341274"	208.5686495	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+H+NH4"	19.041099
"731872"	308.0926995	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+H+NH4"	19.041099
"1488974"	109.0445995	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H+NH4"	19.041099
"407985"	421.085418	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+Na"	22.989218
"764280"	620.133518	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+Na"	22.989218
"1610192"	222.037318	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Na"	22.989218
"320228"	211.046347	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+H+Na"	23.996494
"722059"	310.570397	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+H+Na"	23.996494
"1476200"	111.522297	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H+Na"	23.996494
"1067708"	74.6839566666667	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2H+Na"	25.00377
"1271245"	232.081586	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+CH3OH+H"	33.033486
"391886"	437.059358	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+K"	38.963158
"753003"	636.107458	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+K"	38.963158
"1554689"	238.011258	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+K"	38.963158
"310039"	219.033317	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+H+K"	39.970434
"704649"	318.557367	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+H+K"	39.970434
"1460296"	119.509267	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H+K"	39.970434
"250119"	440.130026	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+ACN+H"	42.033826
"1220881"	241.081926	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+ACN+H"	42.033826
"1208893"	121.044601	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+ACN+2H"	43.041102
"201643"	443.06736	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+2Na-H"	44.97116
"637198"	642.11546	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+2Na-H"	44.97116
"1141794"	244.01926	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2Na-H"	44.97116
"182898"	222.037318	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+2Na"	45.978436
"623553"	321.561368	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+2Na"	45.978436
"1123414"	122.513268	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2Na"	45.978436
"1408396"	82.0112706666667	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H+2Na"	46.985712
"1437230"	246.060846	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H+HCOOH"	47.012746
"230205"	227.07034	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+3H2O+2H"	56.04448
"1513895"	260.11289	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+IsoProp+H"	61.06479
"418320"	230.024288	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+Na+K"	61.952376
"781872"	329.548338	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+Na+K"	61.952376
"1680270"	130.500238	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Na+K"	61.952376
"266710"	462.111968	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+ACN+Na"	64.015768
"1239865"	263.063868	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+ACN+Na"	64.015768
"1724498"	263.087393	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+NH4+HCOOH"	64.039293
"1192038"	89.3385846666667	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+3Na"	68.967654
"1661929"	268.042788	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Na+HCOOH"	68.994688
"169885"	475.01524	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+2K-H"	76.91904
"609449"	674.06334	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+2K-H"	76.91904
"1097851"	275.96714	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2K-H"	76.91904
"154909"	238.011258	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"2M+2K"	77.926316
"594471"	337.535308	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"3M+2K"	77.926316
"1082264"	138.487208	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2K"	77.926316
"1112435"	277.981692	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2K+H"	78.933592
"1345540"	278.069307	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+DMSO+H"	79.021207
"1019416"	282.108476	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2ACN+H"	83.060376
"1536567"	283.102108	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+IsoProp+Na+H"	84.054008
"996455"	141.557876	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+2ACN+2H"	84.067652
"1598612"	284.016728	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+K+HCOOH"	84.968628
"1425367"	314.048238	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+H+CF3COOH"	115.000138
"1156747"	162.071151	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+3ACN+2H"	125.094202
"1708483"	331.074785	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+NH4+CF3COOH"	132.026685
"1638667"	336.03018	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+Na+CF3COOH"	136.98208
"1574319"	352.00412	"C06662"	"Clavulanic acid;Clavulanate"	"C8H9NO5"	"199.0481"	"M+K+CF3COOH"	152.95602
"815629"	272.0831	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M"	0
"983692"	253.06471	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-H2O-H"	-19.01839
"75947"	180.381457333333	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M-3H"	-3.021828
"514775"	271.075824	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M-3H"	-3.021828
"892213"	89.6870906666667	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-3H"	-3.021828
"13341"	271.075824	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M-2H"	-2.014552
"454360"	407.117374	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M-2H"	-2.014552
"827423"	135.034274	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-2H"	-2.014552
"92517"	543.158924	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M-H"	-1.007276
"531358"	815.242024	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M-H"	-1.007276
"909165"	271.075824	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-H"	-1.007276
"59165"	560.185471	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M-2H+NH4"	16.019271
"498727"	832.268571	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M-2H+NH4"	16.019271
"877622"	288.102371	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-2H+NH4"	16.019271
"44062"	565.140866	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M-2H+Na"	20.974666
"486461"	837.223966	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M-2H+Na"	20.974666
"862159"	293.057766	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-2H+Na"	20.974666
"1632056"	293.057766	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Na-2H"	20.974666
"105667"	289.064163	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M-H+Cl"	33.962126
"548145"	425.105713	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M-H+Cl"	33.962126
"940564"	153.022613	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-H+Cl"	33.962126
"281918"	579.135602	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+Cl"	34.969402
"674094"	851.218702	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+Cl"	34.969402
"1285768"	307.052502	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Cl"	34.969402
"29783"	581.114806	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M-2H+K"	36.948606
"468611"	853.197906	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M-2H+K"	36.948606
"847873"	309.031706	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-2H+K"	36.948606
"1570635"	309.031706	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+K-2H"	36.948606
"955601"	317.081294	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-H+HCOOH"	44.998194
"373818"	589.164401	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+HCOOH-H"	44.998201
"359525"	603.180051	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+Hac-H"	59.013851
"1505438"	331.096951	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Hac-H"	59.013851
"973477"	339.063251	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-H+NaCOOH"	66.980151
"124814"	307.052502	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+2Cl"	69.938804
"564370"	443.094052	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+2Cl"	69.938804
"1036695"	171.010952	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2Cl"	69.938804
"1255662"	351.001985	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Br"	78.918885
"1318839"	353.057972	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Cl+HCOOH"	80.974872
"1333052"	375.039929	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Cl+NaCOOH"	102.956829
"920828"	385.068686	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M-H+CF3COOH"	112.985586
"1301547"	421.045364	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Cl+CF3COOH"	148.962264
"1374604"	237.070424	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H-2H2O"	-35.012676
"1393193"	255.0804	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H-H2O"	-17.0027
"293973"	545.173476	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+H"	1.007276
"684208"	817.256576	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+H"	1.007276
"1356182"	273.090376	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H"	1.007276
"128343"	273.090376	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+2H"	2.014552
"580555"	409.131926	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+2H"	2.014552
"1052026"	137.048826	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2H"	2.014552
"218469"	182.396009333333	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+3H"	3.021828
"658759"	273.090376	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+3H"	3.021828
"1176155"	91.7016426666667	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+3H"	3.021828
"438698"	562.200023	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+NH4"	18.033823
"794953"	834.283123	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+NH4"	18.033823
"1691283"	290.116923	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+NH4"	18.033823
"335188"	281.6036495	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+H+NH4"	19.041099
"735265"	417.6451995	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+H+NH4"	19.041099
"1486898"	145.5620995	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H+NH4"	19.041099
"400112"	567.155418	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+Na"	22.989218
"758923"	839.238518	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+Na"	22.989218
"1610300"	295.072318	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Na"	22.989218
"324714"	284.081347	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+H+Na"	23.996494
"722538"	420.122897	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+H+Na"	23.996494
"1475703"	148.039797	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H+Na"	23.996494
"1067485"	99.0289566666667	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2H+Na"	25.00377
"1272083"	305.116586	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+CH3OH+H"	33.033486
"392113"	583.129358	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+K"	38.963158
"752015"	855.212458	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+K"	38.963158
"1554069"	311.046258	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+K"	38.963158
"307963"	292.068317	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+H+K"	39.970434
"704765"	428.109867	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+H+K"	39.970434
"1459678"	156.026767	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H+K"	39.970434
"247186"	586.200026	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+ACN+H"	42.033826
"1217711"	314.116926	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+ACN+H"	42.033826
"1207789"	157.562101	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+ACN+2H"	43.041102
"199929"	589.13736	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+2Na-H"	44.97116
"635118"	861.22046	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+2Na-H"	44.97116
"1137530"	317.05426	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2Na-H"	44.97116
"183006"	295.072318	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+2Na"	45.978436
"622569"	431.113868	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+2Na"	45.978436
"1125345"	159.030768	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2Na"	45.978436
"1401212"	106.356270666667	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H+2Na"	46.985712
"1433329"	319.095846	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H+HCOOH"	47.012746
"224848"	300.10534	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+3H2O+2H"	56.04448
"1512182"	333.14789	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+IsoProp+H"	61.06479
"418066"	303.059288	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+Na+K"	61.952376
"783805"	439.100838	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+Na+K"	61.952376
"1678313"	167.017738	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Na+K"	61.952376
"266416"	608.181968	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+ACN+Na"	64.015768
"1240218"	336.098868	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+ACN+Na"	64.015768
"1726795"	336.122393	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+NH4+HCOOH"	64.039293
"1193486"	113.683584666667	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+3Na"	68.967654
"1662040"	341.077788	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Na+HCOOH"	68.994688
"167812"	621.08524	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+2K-H"	76.91904
"607373"	893.16834	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+2K-H"	76.91904
"1097352"	349.00214	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2K-H"	76.91904
"151980"	311.046258	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"2M+2K"	77.926316
"593729"	447.087808	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"3M+2K"	77.926316
"1080428"	175.004708	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2K"	77.926316
"1114730"	351.016692	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2K+H"	78.933592
"1347837"	351.104307	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+DMSO+H"	79.021207
"1016365"	355.143476	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2ACN+H"	83.060376
"1530116"	356.137108	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+IsoProp+Na+H"	84.054008
"1000939"	178.075376	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+2ACN+2H"	84.067652
"1598721"	357.051728	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+K+HCOOH"	84.968628
"1428391"	387.083238	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+H+CF3COOH"	115.000138
"1155762"	198.588651	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+3ACN+2H"	125.094202
"1702033"	404.109785	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+NH4+CF3COOH"	132.026685
"1643149"	409.06518	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+Na+CF3COOH"	136.98208
"1574433"	425.03912	"C06664"	"Thienamycin"	"C11H16N2O4S"	"272.0831"	"M+K+CF3COOH"	152.95602
"814643"	299.094	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M"	0
"983802"	280.07561	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-H2O-H"	-19.01839
"74232"	198.388724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M-3H"	-3.021828
"513792"	298.086724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M-3H"	-3.021828
"891230"	98.690724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-3H"	-3.021828
"13452"	298.086724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M-2H"	-2.014552
"453012"	447.633724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M-2H"	-2.014552
"830816"	148.539724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-2H"	-2.014552
"91899"	597.180724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M-H"	-1.007276
"532076"	896.274724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M-H"	-1.007276
"910004"	298.086724	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-H"	-1.007276
"60004"	614.207271	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M-2H+NH4"	16.019271
"502117"	913.301271	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M-2H+NH4"	16.019271
"878095"	315.113271	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-2H+NH4"	16.019271
"40163"	619.162666	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M-2H+Na"	20.974666
"486650"	918.256666	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M-2H+Na"	20.974666
"861904"	320.068666	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-2H+Na"	20.974666
"1633744"	320.068666	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Na-2H"	20.974666
"106872"	316.075063	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M-H+Cl"	33.962126
"548618"	465.622063	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M-H+Cl"	33.962126
"940675"	166.528063	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-H+Cl"	33.962126
"281542"	633.157402	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+Cl"	34.969402
"672380"	932.251402	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+Cl"	34.969402
"1284054"	334.063402	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Cl"	34.969402
"27705"	635.136606	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M-2H+K"	36.948606
"466535"	934.230606	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M-2H+K"	36.948606
"847618"	336.042606	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-2H+K"	36.948606
"1570621"	336.042606	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+K-2H"	36.948606
"951338"	344.092194	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-H+HCOOH"	44.998194
"371741"	643.186201	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+HCOOH-H"	44.998201
"360364"	657.201851	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+Hac-H"	59.013851
"1505548"	358.107851	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Hac-H"	59.013851
"973344"	366.074151	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-H+NaCOOH"	66.980151
"125674"	334.063402	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+2Cl"	69.938804
"563752"	483.610402	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+2Cl"	69.938804
"1036075"	184.516402	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2Cl"	69.938804
"1256749"	378.012885	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Br"	78.918885
"1317854"	380.068872	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Cl+HCOOH"	80.974872
"1334258"	402.050829	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Cl+NaCOOH"	102.956829
"924951"	412.079586	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M-H+CF3COOH"	112.985586
"1302385"	448.056264	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Cl+CF3COOH"	148.962264
"1376534"	264.081324	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H-2H2O"	-35.012676
"1395125"	282.0913	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H-H2O"	-17.0027
"294082"	599.195276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+H"	1.007276
"679212"	898.289276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+H"	1.007276
"1358479"	300.101276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H"	1.007276
"130276"	300.101276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+2H"	2.014552
"578236"	449.648276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+2H"	2.014552
"1049585"	150.554276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2H"	2.014552
"217123"	200.403276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+3H"	3.021828
"654860"	300.101276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+3H"	3.021828
"1173712"	100.705276	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+3H"	3.021828
"430787"	616.221823	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+NH4"	18.033823
"791783"	915.315823	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+NH4"	18.033823
"1685926"	317.127823	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+NH4"	18.033823
"332018"	308.6145495	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+H+NH4"	19.041099
"734282"	458.1615495	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+H+NH4"	19.041099
"1487008"	159.0675495	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H+NH4"	19.041099
"396942"	621.177218	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+Na"	22.989218
"762313"	920.271218	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+Na"	22.989218
"1611503"	322.083218	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Na"	22.989218
"317165"	311.092247	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+H+Na"	23.996494
"715060"	460.639247	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+H+Na"	23.996494
"1473256"	161.545247	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H+Na"	23.996494
"1063220"	108.03259	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2H+Na"	25.00377
"1270367"	332.127486	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+CH3OH+H"	33.033486
"388942"	637.151158	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+K"	38.963158
"740093"	936.245158	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+K"	38.963158
"1553085"	338.057158	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+K"	38.963158
"308074"	319.079217	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+H+K"	39.970434
"706334"	468.626217	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+H+K"	39.970434
"1458694"	169.532217	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H+K"	39.970434
"245108"	640.221826	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+ACN+H"	42.033826
"1222191"	341.127826	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+ACN+H"	42.033826
"1204983"	171.067551	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+ACN+2H"	43.041102
"193846"	643.15916	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+2Na-H"	44.97116
"631948"	942.25316	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+2Na-H"	44.97116
"1140920"	344.06516	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2Na-H"	44.97116
"179836"	322.083218	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+2Na"	45.978436
"622679"	471.630218	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+2Na"	45.978436
"1125455"	172.536218	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2Na"	45.978436
"1399499"	115.359904	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H+2Na"	46.985712
"1431982"	346.106746	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H+HCOOH"	47.012746
"224958"	327.11624	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+3H2O+2H"	56.04448
"1512292"	360.15879	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+IsoProp+H"	61.06479
"414896"	330.070188	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+Na+K"	61.952376
"782822"	479.617188	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+Na+K"	61.952376
"1677330"	180.523188	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Na+K"	61.952376
"265917"	662.203768	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+ACN+Na"	64.015768
"1240570"	363.109768	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+ACN+Na"	64.015768
"1728355"	363.133293	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+NH4+HCOOH"	64.039293
"1191164"	122.687218	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+3Na"	68.967654
"1661057"	368.088688	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Na+HCOOH"	68.994688
"167919"	675.10704	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+2K-H"	76.91904
"609669"	974.20104	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+2K-H"	76.91904
"1097462"	376.01304	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2K-H"	76.91904
"154276"	338.057158	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"2M+2K"	77.926316
"592743"	487.604158	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"3M+2K"	77.926316
"1079445"	188.510158	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2K"	77.926316
"1114476"	378.027592	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2K+H"	78.933592
"1347947"	378.115207	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+DMSO+H"	79.021207
"1015382"	382.154376	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2ACN+H"	83.060376
"1538610"	383.148008	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+IsoProp+Na+H"	84.054008
"1001048"	191.580826	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+2ACN+2H"	84.067652
"1598831"	384.062628	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+K+HCOOH"	84.968628
"1427409"	414.094138	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+H+CF3COOH"	115.000138
"1152592"	212.094101	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+3ACN+2H"	125.094202
"1706516"	431.120685	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+NH4+CF3COOH"	132.026685
"1643259"	436.07608	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+Na+CF3COOH"	136.98208
"1574543"	452.05002	"C06665"	"Imipenem;Imipenem anhydrous"	"C12H17N3O4S"	"299.094"	"M+K+CF3COOH"	152.95602
"815846"	414.1387	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M"	0
"981724"	395.12031	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-H2O-H"	-19.01839
"74342"	275.085190666667	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M-3H"	-3.021828
"511714"	413.131424	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M-3H"	-3.021828
"886236"	137.038957333333	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-3H"	-3.021828
"11742"	413.131424	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M-2H"	-2.014552
"452028"	620.200774	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M-2H"	-2.014552
"829831"	206.062074	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-2H"	-2.014552
"91281"	827.270124	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M-H"	-1.007276
"529392"	1241.408824	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M-H"	-1.007276
"910725"	413.131424	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-H"	-1.007276
"59021"	844.296671	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M-2H+NH4"	16.019271
"501501"	1258.435371	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M-2H+NH4"	16.019271
"878693"	430.157971	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-2H+NH4"	16.019271
"41366"	849.252066	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M-2H+Na"	20.974666
"485911"	1263.390766	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M-2H+Na"	20.974666
"862015"	435.113366	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-2H+Na"	20.974666
"1633005"	435.113366	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Na-2H"	20.974666
"105888"	431.119763	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M-H+Cl"	33.962126
"545082"	638.189113	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M-H+Cl"	33.962126
"940786"	224.050413	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-H+Cl"	33.962126
"281652"	863.246802	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+Cl"	34.969402
"671762"	1277.385502	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+Cl"	34.969402
"1283800"	449.108102	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Cl"	34.969402
"27452"	865.226006	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M-2H+K"	36.948606
"466647"	1279.364706	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M-2H+K"	36.948606
"844448"	451.087306	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-2H+K"	36.948606
"1565750"	451.087306	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+K-2H"	36.948606
"950356"	459.136894	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-H+HCOOH"	44.998194
"373674"	873.275601	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+HCOOH-H"	44.998201
"359747"	887.291251	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+Hac-H"	59.013851
"1505660"	473.152551	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Hac-H"	59.013851
"972843"	481.118851	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-H+NaCOOH"	66.980151
"125279"	449.108102	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+2Cl"	69.938804
"563131"	656.177452	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+2Cl"	69.938804
"1035942"	242.038752	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2Cl"	69.938804
"1255884"	493.057585	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Br"	78.918885
"1318331"	495.113572	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Cl+HCOOH"	80.974872
"1335462"	517.095529	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Cl+NaCOOH"	102.956829
"926154"	527.124286	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M-H+CF3COOH"	112.985586
"1301765"	563.100964	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Cl+CF3COOH"	148.962264
"1375915"	379.126024	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H-2H2O"	-35.012676
"1392319"	397.136	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H-H2O"	-17.0027
"293099"	829.284676	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+H"	1.007276
"678957"	1243.423376	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+H"	1.007276
"1357495"	415.145976	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H"	1.007276
"130386"	415.145976	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+2H"	2.014552
"579439"	622.215326	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+2H"	2.014552
"1049332"	208.076626	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2H"	2.014552
"215411"	277.099742666667	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+3H"	3.021828
"655335"	415.145976	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+3H"	3.021828
"1173458"	139.053509333333	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+3H"	3.021828
"430897"	846.311223	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+NH4"	18.033823
"791893"	1260.449923	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+NH4"	18.033823
"1689316"	432.172523	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+NH4"	18.033823
"335407"	423.6592495	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+H+NH4"	19.041099
"734392"	630.7285995	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+H+NH4"	19.041099
"1487118"	216.5898995	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H+NH4"	19.041099
"400332"	851.266618	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+Na"	22.989218
"762423"	1265.405318	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+Na"	22.989218
"1610520"	437.127918	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Na"	22.989218
"316181"	426.136947	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+H+Na"	23.996494
"711890"	633.206297	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+H+Na"	23.996494
"1472273"	219.067597	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H+Na"	23.996494
"1063330"	146.380823333333	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2H+Na"	25.00377
"1268291"	447.172186	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+CH3OH+H"	33.033486
"390145"	867.240558	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+K"	38.963158
"739111"	1281.379258	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+K"	38.963158
"1552467"	453.101858	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+K"	38.963158
"309277"	434.123917	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+H+K"	39.970434
"700605"	641.193267	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+H+K"	39.970434
"1457711"	227.054567	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H+K"	39.970434
"247407"	870.311226	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+ACN+H"	42.033826
"1220845"	456.172526	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+ACN+H"	42.033826
"1201814"	228.589901	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+ACN+2H"	43.041102
"195050"	873.24856	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+2Na-H"	44.97116
"635339"	1287.38726	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+2Na-H"	44.97116
"1139937"	459.10986	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2Na-H"	44.97116
"179946"	437.127918	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+2Na"	45.978436
"620967"	644.197268	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+2Na"	45.978436
"1121921"	230.058568	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2Na"	45.978436
"1398588"	153.708137333333	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H+2Na"	46.985712
"1431241"	461.151446	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H+HCOOH"	47.012746
"223975"	442.16094	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+3H2O+2H"	56.04448
"1511309"	475.20349	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+IsoProp+H"	61.06479
"418286"	445.114888	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+Na+K"	61.952376
"783296"	652.184238	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+Na+K"	61.952376
"1679263"	238.045538	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Na+K"	61.952376
"266758"	892.293168	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+ACN+Na"	64.015768
"1240682"	478.154468	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+ACN+Na"	64.015768
"1727623"	478.177993	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+NH4+HCOOH"	64.039293
"1191274"	161.035451333333	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+3Na"	68.967654
"1662260"	483.133388	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Na+HCOOH"	68.994688
"166936"	905.19644	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+2K-H"	76.91904
"608685"	1319.33514	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+2K-H"	76.91904
"1095384"	491.05774	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2K-H"	76.91904
"152199"	453.101858	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"2M+2K"	77.926316
"588480"	660.171208	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"3M+2K"	77.926316
"1078461"	246.032508	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2K"	77.926316
"1111670"	493.072292	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2K+H"	78.933592
"1348057"	493.159907	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+DMSO+H"	79.021207
"1015492"	497.199076	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2ACN+H"	83.060376
"1537991"	498.192708	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+IsoProp+Na+H"	84.054008
"1002251"	249.103176	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+2ACN+2H"	84.067652
"1595661"	499.107328	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+K+HCOOH"	84.968628
"1425697"	529.138838	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+H+CF3COOH"	115.000138
"1152701"	269.616451	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+3ACN+2H"	125.094202
"1705532"	546.165385	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+NH4+CF3COOH"	132.026685
"1643369"	551.12078	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+Na+CF3COOH"	136.98208
"1575746"	567.09472	"C06667"	"Clavamycin A"	"C16H22N4O9"	"414.1387"	"M+K+CF3COOH"	152.95602
"816767"	329.1587	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M"	0
"981834"	310.14031	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-H2O-H"	-19.01839
"71170"	218.431857333333	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M-3H"	-3.021828
"510730"	328.151424	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M-3H"	-3.021828
"889624"	108.712290666667	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-3H"	-3.021828
"11482"	328.151424	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M-2H"	-2.014552
"452136"	492.730774	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M-2H"	-2.014552
"827752"	163.572074	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-2H"	-2.014552
"91024"	657.310124	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M-H"	-1.007276
"525125"	986.468824	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M-H"	-1.007276
"908647"	328.151424	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-H"	-1.007276
"59131"	674.336671	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M-2H+NH4"	16.019271
"499786"	1003.495371	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M-2H+NH4"	16.019271
"877830"	345.177971	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-2H+NH4"	16.019271
"45487"	679.292066	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M-2H+Na"	20.974666
"485416"	1008.450766	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M-2H+Na"	20.974666
"861520"	350.133366	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-2H+Na"	20.974666
"1632267"	350.133366	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Na-2H"	20.974666
"108065"	346.139763	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M-H+Cl"	33.962126
"548599"	510.719113	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M-H+Cl"	33.962126
"942116"	181.560413	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-H+Cl"	33.962126
"282580"	693.286802	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+Cl"	34.969402
"675445"	1022.445502	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+Cl"	34.969402
"1287318"	364.128102	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Cl"	34.969402
"30850"	695.266006	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M-2H+K"	36.948606
"470161"	1024.424706	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M-2H+K"	36.948606
"846380"	366.107306	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-2H+K"	36.948606
"1570355"	366.107306	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+K-2H"	36.948606
"952652"	374.156894	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-H+HCOOH"	44.998194
"374878"	703.315601	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+HCOOH-H"	44.998201
"360584"	717.331251	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+Hac-H"	59.013851
"1505040"	388.172551	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Hac-H"	59.013851
"972958"	396.138851	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-H+NaCOOH"	66.980151
"125021"	364.128102	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+2Cl"	69.938804
"563241"	528.707452	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+2Cl"	69.938804
"1035321"	199.548752	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2Cl"	69.938804
"1255629"	408.077585	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Br"	78.918885
"1318074"	410.133572	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Cl+HCOOH"	80.974872
"1333384"	432.115529	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Cl+NaCOOH"	102.956829
"926264"	442.144286	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M-H+CF3COOH"	112.985586
"1298959"	478.120964	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Cl+CF3COOH"	148.962264
"1374931"	294.146024	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H-2H2O"	-35.012676
"1392429"	312.156	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H-H2O"	-17.0027
"287376"	659.324676	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+H"	1.007276
"679432"	988.483376	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+H"	1.007276
"1355417"	330.165976	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H"	1.007276
"130496"	330.165976	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+2H"	2.014552
"580886"	494.745326	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+2H"	2.014552
"1050900"	165.586626	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2H"	2.014552
"217708"	220.446409333333	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+3H"	3.021828
"656903"	330.165976	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+3H"	3.021828
"1173932"	110.726842666667	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+3H"	3.021828
"432101"	676.351223	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+NH4"	18.033823
"793096"	1005.509923	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+NH4"	18.033823
"1689426"	347.192523	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+NH4"	18.033823
"335518"	338.6792495	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+H+NH4"	19.041099
"736689"	503.2585995	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+H+NH4"	19.041099
"1488321"	174.0998995	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H+NH4"	19.041099
"403722"	681.306618	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+Na"	22.989218
"766909"	1010.465318	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+Na"	22.989218
"1611724"	352.147918	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Na"	22.989218
"317386"	341.156947	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+H+Na"	23.996494
"714186"	505.736297	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+H+Na"	23.996494
"1475912"	176.577597	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H+Na"	23.996494
"1065628"	118.054156666667	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2H+Na"	25.00377
"1269494"	362.192186	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+CH3OH+H"	33.033486
"385881"	697.280558	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+K"	38.963158
"740314"	1026.439258	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+K"	38.963158
"1553308"	368.121858	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+K"	38.963158
"310480"	349.143917	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+H+K"	39.970434
"701810"	513.723267	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+H+K"	39.970434
"1457824"	184.564567	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H+K"	39.970434
"248246"	700.351226	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+ACN+H"	42.033826
"1220226"	371.192526	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+ACN+H"	42.033826
"1204110"	186.099901	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+ACN+2H"	43.041102
"193702"	703.28856	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+2Na-H"	44.97116
"634356"	1032.44726	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+2Na-H"	44.97116
"1137860"	374.12986	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2Na-H"	44.97116
"181149"	352.147918	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+2Na"	45.978436
"618524"	516.727268	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+2Na"	45.978436
"1122395"	187.568568	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2Na"	45.978436
"1398481"	125.381470666667	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H+2Na"	46.985712
"1431109"	376.171446	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H+HCOOH"	47.012746
"224085"	357.18094	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+3H2O+2H"	56.04448
"1511419"	390.22349	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+IsoProp+H"	61.06479
"415116"	360.134888	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+Na+K"	61.952376
"784745"	524.714238	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+Na+K"	61.952376
"1680225"	195.555538	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Na+K"	61.952376
"266747"	722.333168	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+ACN+Na"	64.015768
"1240796"	393.174468	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+ACN+Na"	64.015768
"1727249"	393.197993	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+NH4+HCOOH"	64.039293
"1190291"	132.708784666667	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+3Na"	68.967654
"1661277"	398.153388	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Na+HCOOH"	68.994688
"167046"	735.23644	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+2K-H"	76.91904
"609525"	1064.39514	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+2K-H"	76.91904
"1090026"	406.07774	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2K-H"	76.91904
"154496"	368.121858	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"2M+2K"	77.926316
"590776"	532.701208	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"3M+2K"	77.926316
"1078570"	203.542508	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2K"	77.926316
"1111780"	408.092292	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2K+H"	78.933592
"1347070"	408.179907	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+DMSO+H"	79.021207
"1015601"	412.219076	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2ACN+H"	83.060376
"1535914"	413.212708	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+IsoProp+Na+H"	84.054008
"1000176"	206.613176	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+2ACN+2H"	84.067652
"1595773"	414.127328	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+K+HCOOH"	84.968628
"1423619"	444.158838	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+H+CF3COOH"	115.000138
"1151719"	227.126451	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+3ACN+2H"	125.094202
"1700176"	461.185385	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+NH4+CF3COOH"	132.026685
"1643479"	466.14078	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+Na+CF3COOH"	136.98208
"1574763"	482.11472	"C06668"	"Valclavam"	"C14H23N3O6"	"329.1587"	"M+K+CF3COOH"	152.95602
"816066"	153.0426	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M"	0
"979758"	134.02421	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"70187"	101.021124	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"510840"	152.035324	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"888641"	50.006924	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"11592"	152.035324	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"448966"	228.556624	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"827862"	75.514024	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"91134"	305.077924	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"525235"	458.120524	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"909487"	152.035324	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"59605"	322.104471	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"499896"	475.147071	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"878061"	169.061871	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"44869"	327.059866	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"485888"	480.102466	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"862843"	174.017266	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1632987"	174.017266	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"108907"	170.023663	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"548584"	246.544963	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"941978"	93.502363	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"282000"	341.054602	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"674536"	494.097202	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1284385"	188.012002	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"26942"	343.033806	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"469418"	496.076406	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"846490"	189.991206	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1567063"	189.991206	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"952758"	198.040794	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"373895"	351.083401	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"360654"	365.099051	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1505150"	212.056451	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"971965"	220.022751	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"124154"	188.012002	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"564807"	264.533302	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1036159"	111.490702	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1254643"	231.961485	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1317457"	234.017472	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1332766"	255.999429	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"924918"	266.028186	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1299069"	302.004864	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1380146"	118.029924	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1395090"	136.0399	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"286028"	307.092476	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"679177"	460.135076	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1354798"	154.049876	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"130606"	154.049876	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"579658"	230.571176	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1049550"	77.528576	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"215631"	103.035676	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"656284"	154.049876	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1173313"	52.021476	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"434397"	324.119023	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"794300"	477.161623	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1689536"	171.076423	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"332348"	162.5631495	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"732425"	239.0844495	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1489524"	86.0418495	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"397272"	329.074418	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"769652"	482.117018	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1611834"	176.031818	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"318589"	165.040847	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"715389"	241.562147	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1474679"	88.519547	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1065738"	59.34879	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1266321"	186.076086	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"379427"	345.048358	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"740425"	498.090958	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1554511"	192.005758	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"310590"	173.027817	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"703011"	249.549117	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1459026"	96.506517	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"245440"	348.119026	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1219244"	195.076426	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1203127"	98.041851	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"189801"	351.05636	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"638839"	504.09896	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1139062"	198.01376	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"177979"	176.031818	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"620821"	252.553118	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1122505"	99.510518	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1399098"	66.676104	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1433405"	200.055346	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"224195"	181.06484	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1509220"	214.10739	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"415226"	184.018788	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"781694"	260.540088	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1676931"	107.497488	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"265275"	370.100968	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1240541"	217.058368	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1727964"	217.081893	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1191495"	74.003418	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1661387"	222.037288	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"168249"	383.00424	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"602342"	536.04684	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1092322"	229.96164	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"149139"	192.005758	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"587606"	268.527058	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1078678"	115.484458	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1113954"	231.976192	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1347179"	232.063807	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1014617"	236.102976	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1529462"	237.096608	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"999192"	118.555126	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1595883"	238.011228	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1423729"	268.042738	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1150736"	139.068401	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1701379"	285.069285	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1643589"	290.02468	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1574873"	305.99862	"C06669"	"(5R)-Carbapen-2-em-3-carboxylate;1-Carbapen-2-em-3-carboxylic acid;(5R)-Carbapenem-3-carboxylic acid;(5R)-Carbapenem-3-carboxylate;(5R)-7-Oxo-1-azabicyclo320hept-2-ene-2-carboxylate"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"816949"	189.9588	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M"	0
"978774"	170.94041	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-H2O-H"	-19.01839
"68110"	125.631924	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M-3H"	-3.021828
"513137"	188.951524	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M-3H"	-3.021828
"890938"	62.312324	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-3H"	-3.021828
"14861"	188.951524	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M-2H"	-2.014552
"452355"	283.930924	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M-2H"	-2.014552
"826877"	93.972124	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-2H"	-2.014552
"87962"	378.910324	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M-H"	-1.007276
"519261"	568.869124	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M-H"	-1.007276
"896335"	188.951524	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-H"	-1.007276
"58984"	395.936871	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M-2H+NH4"	16.019271
"494898"	585.895671	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M-2H+NH4"	16.019271
"874161"	205.978071	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-2H+NH4"	16.019271
"40601"	400.892266	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M-2H+Na"	20.974666
"486363"	590.851066	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M-2H+Na"	20.974666
"863071"	210.933466	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-2H+Na"	20.974666
"1633213"	210.933466	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Na-2H"	20.974666
"107675"	206.939863	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M-H+Cl"	33.962126
"546870"	301.919263	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M-H+Cl"	33.962126
"940385"	111.960463	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-H+Cl"	33.962126
"280035"	414.887002	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+Cl"	34.969402
"672822"	604.845802	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+Cl"	34.969402
"1284496"	224.928202	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Cl"	34.969402
"27053"	416.866206	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M-2H+K"	36.948606
"471316"	606.825006	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M-2H+K"	36.948606
"846966"	226.907406	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-2H+K"	36.948606
"1567173"	226.907406	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+K-2H"	36.948606
"955783"	234.956994	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-H+HCOOH"	44.998194
"373276"	424.915801	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+HCOOH-H"	44.998201
"360926"	438.931451	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+Hac-H"	59.013851
"1504168"	248.972651	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Hac-H"	59.013851
"972804"	256.938951	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-H+NaCOOH"	66.980151
"123537"	224.928202	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+2Cl"	69.938804
"564189"	319.907602	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+2Cl"	69.938804
"1034081"	129.948802	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2Cl"	69.938804
"1255482"	268.877685	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Br"	78.918885
"1317200"	270.933672	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Cl+HCOOH"	80.974872
"1334576"	292.915629	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Cl+NaCOOH"	102.956829
"926120"	302.944386	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M-H+CF3COOH"	112.985586
"1299179"	338.921064	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Cl+CF3COOH"	148.962264
"1380257"	154.946124	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H-2H2O"	-35.012676
"1391554"	172.9561	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H-H2O"	-17.0027
"287232"	380.924876	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+H"	1.007276
"681839"	570.883676	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+H"	1.007276
"1355639"	190.966076	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H"	1.007276
"131080"	190.966076	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+2H"	2.014552
"573563"	285.945476	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+2H"	2.014552
"1049658"	95.986676	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2H"	2.014552
"214640"	127.646476	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+3H"	3.021828
"656755"	190.966076	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+3H"	3.021828
"1175243"	64.326876	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+3H"	3.021828
"433414"	397.951423	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+NH4"	18.033823
"790035"	587.910223	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+NH4"	18.033823
"1686366"	207.992623	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+NH4"	18.033823
"335738"	199.4793495	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+H+NH4"	19.041099
"730348"	294.4587495	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+H+NH4"	19.041099
"1487447"	104.4999495	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H+NH4"	19.041099
"397382"	402.906818	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+Na"	22.989218
"769682"	592.865618	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+Na"	22.989218
"1611944"	212.948018	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Na"	22.989218
"324165"	201.957047	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+H+Na"	23.996494
"716592"	296.936447	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+H+Na"	23.996494
"1473696"	106.977647	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H+Na"	23.996494
"1065848"	71.65419	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2H+Na"	25.00377
"1266431"	222.992286	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+CH3OH+H"	33.033486
"382816"	418.880758	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+K"	38.963158
"746000"	608.839558	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+K"	38.963158
"1554621"	228.921958	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+K"	38.963158
"310700"	209.944017	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+H+K"	39.970434
"703121"	304.923417	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+H+K"	39.970434
"1458407"	114.964617	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H+K"	39.970434
"244458"	421.951426	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+ACN+H"	42.033826
"1220447"	231.992626	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+ACN+H"	42.033826
"1204329"	116.499951	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+ACN+2H"	43.041102
"196108"	424.88876	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+2Na-H"	44.97116
"637856"	614.84756	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+2Na-H"	44.97116
"1133705"	234.92996	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2Na-H"	44.97116
"178089"	212.948018	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+2Na"	45.978436
"620931"	307.927418	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+2Na"	45.978436
"1123344"	117.968618	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2Na"	45.978436
"1399081"	78.981504	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H+2Na"	46.985712
"1433515"	236.971546	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H+HCOOH"	47.012746
"225398"	217.98104	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+3H2O+2H"	56.04448
"1512367"	251.02359	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+IsoProp+H"	61.06479
"413149"	220.934988	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+Na+K"	61.952376
"782533"	315.914388	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+Na+K"	61.952376
"1678499"	125.955588	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Na+K"	61.952376
"266114"	443.933368	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+ACN+Na"	64.015768
"1241017"	253.974568	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+ACN+Na"	64.015768
"1727915"	253.998093	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+NH4+HCOOH"	64.039293
"1191605"	86.308818	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+3Na"	68.967654
"1661497"	258.953488	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Na+HCOOH"	68.994688
"166173"	456.83664	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+2K-H"	76.91904
"602452"	646.79544	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+2K-H"	76.91904
"1092432"	266.87784	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2K-H"	76.91904
"149249"	228.921958	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"2M+2K"	77.926316
"590996"	323.901358	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"3M+2K"	77.926316
"1078788"	133.942558	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2K"	77.926316
"1114064"	268.892392	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2K+H"	78.933592
"1349476"	268.980007	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+DMSO+H"	79.021207
"1018008"	273.019176	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2ACN+H"	83.060376
"1537227"	274.012808	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+IsoProp+Na+H"	84.054008
"999302"	137.013226	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+2ACN+2H"	84.067652
"1599272"	274.927428	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+K+HCOOH"	84.968628
"1423839"	304.958938	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+H+CF3COOH"	115.000138
"1153032"	157.526501	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+3ACN+2H"	125.094202
"1705863"	321.985485	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+NH4+CF3COOH"	132.026685
"1643699"	326.94088	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+Na+CF3COOH"	136.98208
"1573889"	342.91482	"C06670"	"24-Dichlorobenzoate;24-Dichlorobenzoic acid"	"C7H4Cl2O2"	"189.9588"	"M+K+CF3COOH"	152.95602
"816928"	939.0635	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M"	0
"981071"	920.04511	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-H2O-H"	-19.01839
"71500"	625.035057333333	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M-3H"	-3.021828
"513247"	938.056224	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M-3H"	-3.021828
"888861"	312.013890666667	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-3H"	-3.021828
"13636"	938.056224	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M-2H"	-2.014552
"450279"	1407.587974	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M-2H"	-2.014552
"825894"	468.524474	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-2H"	-2.014552
"88072"	1877.119724	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M-H"	-1.007276
"520350"	2816.183224	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M-H"	-1.007276
"897789"	938.056224	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-H"	-1.007276
"57634"	1894.146271	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M-2H+NH4"	16.019271
"495008"	2833.209771	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M-2H+NH4"	16.019271
"872809"	955.082771	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-2H+NH4"	16.019271
"41805"	1899.101666	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M-2H+Na"	20.974666
"483188"	2838.165166	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M-2H+Na"	20.974666
"863755"	960.038166	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-2H+Na"	20.974666
"1633445"	960.038166	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Na-2H"	20.974666
"106326"	956.044563	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M-H+Cl"	33.962126
"545886"	1425.576313	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M-H+Cl"	33.962126
"941225"	486.512813	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-H+Cl"	33.962126
"280509"	1913.096402	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+Cl"	34.969402
"675526"	2852.159902	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+Cl"	34.969402
"1286064"	974.032902	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Cl"	34.969402
"27890"	1915.075606	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M-2H+K"	36.948606
"470004"	2854.139106	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M-2H+K"	36.948606
"847683"	976.012106	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-2H+K"	36.948606
"1567284"	976.012106	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+K-2H"	36.948606
"955530"	984.061694	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-H+HCOOH"	44.998194
"374479"	1923.125201	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+HCOOH-H"	44.998201
"360959"	1937.140851	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+Hac-H"	59.013851
"1506465"	998.077351	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Hac-H"	59.013851
"971821"	1006.043651	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-H+NaCOOH"	66.980151
"123281"	974.032902	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+2Cl"	69.938804
"565029"	1443.564652	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+2Cl"	69.938804
"1036015"	504.501152	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2Cl"	69.938804
"1256324"	1017.982385	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Br"	78.918885
"1319133"	1020.038372	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Cl+HCOOH"	80.974872
"1334928"	1042.020329	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Cl+NaCOOH"	102.956829
"926111"	1052.049086	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M-H+CF3COOH"	112.985586
"1299289"	1088.025764	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Cl+CF3COOH"	148.962264
"1381461"	904.050824	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H-2H2O"	-35.012676
"1391664"	922.0608	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H-H2O"	-17.0027
"287342"	1879.134276	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+H"	1.007276
"681949"	2818.197776	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+H"	1.007276
"1355019"	940.070776	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H"	1.007276
"130826"	940.070776	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+2H"	2.014552
"572580"	1409.602526	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+2H"	2.014552
"1047946"	470.539026	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2H"	2.014552
"212565"	627.049609333333	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+3H"	3.021828
"656500"	940.070776	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+3H"	3.021828
"1174626"	314.028442666667	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+3H"	3.021828
"435712"	1896.160823	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+NH4"	18.033823
"792332"	2835.224323	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+NH4"	18.033823
"1689756"	957.097323	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+NH4"	18.033823
"335848"	948.5840495	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+H+NH4"	19.041099
"735925"	1418.1157995	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+H+NH4"	19.041099
"1487557"	479.0522995	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H+NH4"	19.041099
"400772"	1901.116218	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+Na"	22.989218
"765050"	2840.179718	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+Na"	22.989218
"1615334"	962.052718	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Na"	22.989218
"317715"	951.061747	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+H+Na"	23.996494
"714515"	1420.593497	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+H+Na"	23.996494
"1469429"	481.529997	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H+Na"	23.996494
"1063771"	321.355756666667	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2H+Na"	25.00377
"1265447"	972.096986	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+CH3OH+H"	33.033486
"379646"	1917.090158	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+K"	38.963158
"746111"	2856.153658	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+K"	38.963158
"1551089"	978.026658	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+K"	38.963158
"311906"	959.048717	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+H+K"	39.970434
"699952"	1428.580467	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+H+K"	39.970434
"1455965"	489.516967	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H+K"	39.970434
"242379"	1920.160826	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+ACN+H"	42.033826
"1217276"	981.097326	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+ACN+H"	42.033826
"1200065"	491.052301	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+ACN+2H"	43.041102
"192938"	1923.09816	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+2Na-H"	44.97116
"636872"	2862.16166	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+2Na-H"	44.97116
"1134179"	984.03466	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2Na-H"	44.97116
"178563"	962.052718	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+2Na"	45.978436
"618124"	1431.584468	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+2Na"	45.978436
"1121267"	492.520968	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2Na"	45.978436
"1399070"	328.683070666667	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H+2Na"	46.985712
"1433625"	986.076246	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H+HCOOH"	47.012746
"226601"	967.08574	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+3H2O+2H"	56.04448
"1509680"	1000.12829	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+IsoProp+H"	61.06479
"415446"	970.039688	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+Na+K"	61.952376
"782643"	1439.571438	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+Na+K"	61.952376
"1677879"	500.507938	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Na+K"	61.952376
"264037"	1942.142768	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+ACN+Na"	64.015768
"1240921"	1003.079268	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+ACN+Na"	64.015768
"1727091"	1003.102793	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+NH4+HCOOH"	64.039293
"1190621"	336.010384666667	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+3Na"	68.967654
"1662700"	1008.058188	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Na+HCOOH"	68.994688
"166283"	1955.04604	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+2K-H"	76.91904
"606937"	2894.10954	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+2K-H"	76.91904
"1095823"	1015.98254	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2K-H"	76.91904
"147173"	978.026658	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"2M+2K"	77.926316
"591106"	1447.558408	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"3M+2K"	77.926316
"1079991"	508.494908	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2K"	77.926316
"1114174"	1017.997092	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2K+H"	78.933592
"1350317"	1018.084707	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+DMSO+H"	79.021207
"1020428"	1022.123876	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2ACN+H"	83.060376
"1539040"	1023.117508	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+IsoProp+Na+H"	84.054008
"1001598"	511.565576	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+2ACN+2H"	84.067652
"1598288"	1024.032128	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+K+HCOOH"	84.968628
"1421762"	1054.063638	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+H+CF3COOH"	115.000138
"1154235"	532.078851	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+3ACN+2H"	125.094202
"1705973"	1071.090185	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+NH4+CF3COOH"	132.026685
"1642716"	1076.04558	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+Na+CF3COOH"	136.98208
"1572906"	1092.01952	"C06671"	"24-Dichlorobenzoyl-CoA"	"C28H38Cl2N7O17P3S"	"939.0635"	"M+K+CF3COOH"	152.95602
"814209"	168.0423	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M"	0
"978994"	149.02391	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"70517"	111.020924	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"511170"	167.035024	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"887878"	55.006824	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"13625"	167.035024	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"448200"	251.056174	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"822722"	83.013874	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"88182"	335.077324	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"518834"	503.119624	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"901177"	167.035024	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"57744"	352.103871	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"498398"	520.146171	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"869639"	184.061571	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"41914"	357.059266	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"483661"	525.101566	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"863293"	189.016966	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1633760"	189.016966	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"105707"	185.023363	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"545631"	269.044513	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"941335"	101.002213	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"280619"	371.054002	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"675435"	539.096302	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1286174"	203.011702	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"28729"	373.033206	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"468655"	541.075506	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"848377"	204.990906	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1569218"	204.990906	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"954547"	213.040494	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"376170"	381.082801	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"359809"	395.098451	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1505846"	227.056151	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"972905"	235.022451	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"121931"	203.011702	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"565021"	287.032852	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1035762"	118.990552	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1256314"	246.961185	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1319692"	249.017172	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1334311"	270.999129	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"926587"	281.027886	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1299399"	317.004564	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1380478"	133.029624	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1391774"	151.0396	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"285995"	337.091876	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"680602"	505.134176	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1355859"	169.049576	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"130936"	169.049576	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"575970"	253.070726	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1045869"	85.028426	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"214863"	113.035476	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"652233"	169.049576	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1174368"	57.021376	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"438005"	354.118423	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"797908"	522.160723	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1686584"	186.076123	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"339238"	177.5628495	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"723396"	261.5839995	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1486574"	93.5416995	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"404162"	359.073818	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"768440"	527.116118	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1616417"	191.031518	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"318919"	180.040547	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"710978"	264.061697	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1469539"	96.019397	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1059503"	64.34869	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1263370"	201.075786	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"379391"	375.047758	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"742940"	543.090058	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1548284"	207.005458	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"309831"	188.027517	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"702249"	272.048667	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1453891"	104.006367	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"242490"	378.118426	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1214104"	210.076126	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1198352"	105.541701	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"194140"	381.05576	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"635887"	549.09806	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1138298"	213.01346	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"177944"	191.031518	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"619692"	275.052668	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1122835"	107.010368	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1402711"	71.676004	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1434828"	215.055046	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"224159"	196.06454	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1512221"	229.10709	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"411544"	199.018488	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"781660"	283.039638	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1679085"	114.997338	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"266984"	400.100368	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1241189"	232.058068	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1728370"	232.081593	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1193853"	79.003318	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1665408"	237.036988	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"172106"	413.00364	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"611057"	581.04594	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1093747"	244.96134	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"152750"	207.005458	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"593403"	291.026608	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1081195"	122.984308	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1114410"	246.975892	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1351037"	247.063507	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1021147"	251.102676	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1539722"	252.096308	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"1003895"	126.054976	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1601679"	253.010928	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1427339"	283.042438	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1155439"	146.568251	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1704990"	300.068985	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1642826"	305.02438	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1573016"	320.99832	"C06672"	"Vanillate;Vanillic acid;4-Hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"814319"	306.031	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M"	0
"976916"	287.01261	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-H2O-H"	-19.01839
"70627"	203.013390666667	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M-3H"	-3.021828
"510186"	305.023724	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M-3H"	-3.021828
"886894"	101.003057333333	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-3H"	-3.021828
"7658"	305.023724	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M-2H"	-2.014552
"448310"	458.039224	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M-2H"	-2.014552
"822832"	152.008224	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-2H"	-2.014552
"88292"	611.054724	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M-H"	-1.007276
"530051"	917.085724	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M-H"	-1.007276
"900194"	305.023724	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-H"	-1.007276
"58948"	628.081271	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M-2H+NH4"	16.019271
"498147"	934.112271	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M-2H+NH4"	16.019271
"873029"	322.050271	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-2H+NH4"	16.019271
"42026"	633.036666	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M-2H+Na"	20.974666
"481951"	939.067666	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M-2H+Na"	20.974666
"862675"	327.005666	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-2H+Na"	20.974666
"1633301"	327.005666	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Na-2H"	20.974666
"108370"	323.012063	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M-H+Cl"	33.962126
"545741"	476.027563	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M-H+Cl"	33.962126
"942382"	169.996563	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-H+Cl"	33.962126
"281824"	647.031402	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+Cl"	34.969402
"674619"	953.062402	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+Cl"	34.969402
"1288198"	341.000402	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Cl"	34.969402
"28842"	649.010606	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M-2H+K"	36.948606
"471080"	955.041606	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M-2H+K"	36.948606
"847428"	342.979606	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-2H+K"	36.948606
"1570549"	342.979606	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+K-2H"	36.948606
"956481"	351.029194	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-H+HCOOH"	44.998194
"373605"	657.060201	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+HCOOH-H"	44.998201
"361094"	671.075851	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+Hac-H"	59.013851
"1506320"	365.044851	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Hac-H"	59.013851
"972772"	373.011151	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-H+NaCOOH"	66.980151
"124231"	341.000402	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+2Cl"	69.938804
"563427"	494.015902	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+2Cl"	69.938804
"1036848"	187.984902	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2Cl"	69.938804
"1256913"	384.949885	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Br"	78.918885
"1319481"	387.005872	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Cl+HCOOH"	80.974872
"1335475"	408.987829	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Cl+NaCOOH"	102.956829
"926863"	419.016586	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M-H+CF3COOH"	112.985586
"1303854"	454.993264	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Cl+CF3COOH"	148.962264
"1379860"	271.018324	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H-2H2O"	-35.012676
"1391887"	289.0283	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H-H2O"	-17.0027
"291572"	613.069276	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+H"	1.007276
"683993"	919.100276	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+H"	1.007276
"1354876"	307.038276	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H"	1.007276
"131046"	307.038276	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+2H"	2.014552
"576080"	460.053776	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+2H"	2.014552
"1047073"	154.022776	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2H"	2.014552
"217159"	205.027942666667	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+3H"	3.021828
"652343"	307.038276	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+3H"	3.021828
"1174842"	103.017609333333	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+3H"	3.021828
"435928"	630.095823	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+NH4"	18.033823
"798018"	936.126823	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+NH4"	18.033823
"1686694"	324.064823	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+NH4"	18.033823
"339348"	315.5515495	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+H+NH4"	19.041099
"723419"	468.5670495	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+H+NH4"	19.041099
"1487777"	162.5360495	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H+NH4"	19.041099
"404272"	635.051218	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+Na"	22.989218
"768429"	941.082218	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+Na"	22.989218
"1615554"	329.020218	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Na"	22.989218
"323402"	318.029247	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+H+Na"	23.996494
"710357"	471.044747	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+H+Na"	23.996494
"1465271"	165.013747	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H+Na"	23.996494
"1057422"	110.344923333333	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2H+Na"	25.00377
"1262384"	339.064486	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+CH3OH+H"	33.033486
"380228"	651.025158	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+K"	38.963158
"745236"	957.056158	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+K"	38.963158
"1550580"	344.994158	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+K"	38.963158
"311034"	326.016217	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+H+K"	39.970434
"703452"	479.031717	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+H+K"	39.970434
"1455093"	173.000717	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H+K"	39.970434
"242600"	654.095826	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+ACN+H"	42.033826
"1214214"	348.064826	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+ACN+H"	42.033826
"1198098"	174.536051	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+ACN+2H"	43.041102
"194250"	657.03316	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+2Na-H"	44.97116
"635997"	963.06416	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+2Na-H"	44.97116
"1133669"	351.00216	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2Na-H"	44.97116
"176231"	329.020218	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+2Na"	45.978436
"619438"	482.035718	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+2Na"	45.978436
"1118569"	176.004718	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2Na"	45.978436
"1399905"	117.672237333333	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H+2Na"	46.985712
"1432387"	353.043746	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H+HCOOH"	47.012746
"223541"	334.05324	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+3H2O+2H"	56.04448
"1510144"	367.09579	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+IsoProp+H"	61.06479
"411290"	337.007188	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+Na+K"	61.952376
"781406"	490.022688	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+Na+K"	61.952376
"1680649"	183.991688	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Na+K"	61.952376
"263891"	676.077768	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+ACN+Na"	64.015768
"1236601"	370.046768	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+ACN+Na"	64.015768
"1727675"	370.070293	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+NH4+HCOOH"	64.039293
"1190842"	124.999551333333	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+3Na"	68.967654
"1662920"	375.025688	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Na+HCOOH"	68.994688
"171970"	688.98104	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+2K-H"	76.91904
"611167"	995.01204	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+2K-H"	76.91904
"1090577"	382.95004	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2K-H"	76.91904
"151767"	344.994158	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"2M+2K"	77.926316
"591326"	498.009658	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"3M+2K"	77.926316
"1081305"	191.978658	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2K"	77.926316
"1113424"	384.964592	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2K+H"	78.933592
"1347621"	385.052207	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+DMSO+H"	79.021207
"1018337"	389.091376	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2ACN+H"	83.060376
"1538531"	390.085008	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+IsoProp+Na+H"	84.054008
"1002912"	195.049326	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+2ACN+2H"	84.067652
"1600694"	390.999628	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+K+HCOOH"	84.968628
"1427449"	421.031138	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+H+CF3COOH"	115.000138
"1160651"	215.562601	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+3ACN+2H"	125.094202
"1704006"	438.057685	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+NH4+CF3COOH"	132.026685
"1642936"	443.01308	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+Na+CF3COOH"	136.98208
"1572397"	458.98702	"C06673"	"4-Carboxy-4-sulfoazobenzene"	"C13H10N2O5S"	"306.031"	"M+K+CF3COOH"	152.95602
"815523"	189.9936	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M"	0
"978120"	170.97521	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-H2O-H"	-19.01839
"69644"	125.655124	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M-3H"	-3.021828
"509203"	188.986324	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M-3H"	-3.021828
"885911"	62.323924	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-3H"	-3.021828
"14330"	188.986324	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M-2H"	-2.014552
"449514"	283.983124	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M-2H"	-2.014552
"819662"	93.989524	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-2H"	-2.014552
"87309"	378.979924	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M-H"	-1.007276
"532103"	568.973524	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M-H"	-1.007276
"898117"	188.986324	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-H"	-1.007276
"57965"	396.006471	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M-2H+NH4"	16.019271
"500444"	586.000071	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M-2H+NH4"	16.019271
"875692"	206.012871	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-2H+NH4"	16.019271
"43594"	400.961866	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M-2H+Na"	20.974666
"485341"	590.955466	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M-2H+Na"	20.974666
"863717"	210.968266	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-2H+Na"	20.974666
"1633904"	210.968266	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Na-2H"	20.974666
"109699"	206.974663	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M-H+Cl"	33.962126
"549856"	301.971463	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M-H+Cl"	33.962126
"942581"	111.977863	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-H+Cl"	33.962126
"282477"	414.956602	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+Cl"	34.969402
"675341"	604.950202	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+Cl"	34.969402
"1288228"	224.963002	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Cl"	34.969402
"30991"	416.935806	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M-2H+K"	36.948606
"470708"	606.929406	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M-2H+K"	36.948606
"847779"	226.942206	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-2H+K"	36.948606
"1570904"	226.942206	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+K-2H"	36.948606
"957935"	234.991794	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-H+HCOOH"	44.998194
"374810"	424.985401	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+HCOOH-H"	44.998201
"360153"	439.001051	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+Hac-H"	59.013851
"1504973"	249.007451	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Hac-H"	59.013851
"973979"	256.973751	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-H+NaCOOH"	66.980151
"125318"	224.963002	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+2Cl"	69.938804
"565491"	319.959802	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+2Cl"	69.938804
"1037006"	129.966202	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2Cl"	69.938804
"1256780"	268.912485	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Br"	78.918885
"1319831"	270.968472	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Cl+HCOOH"	80.974872
"1335140"	292.950429	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Cl+NaCOOH"	102.956829
"926820"	302.979186	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M-H+CF3COOH"	112.985586
"1303274"	338.955864	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Cl+CF3COOH"	148.962264
"1379969"	154.980924	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H-2H2O"	-35.012676
"1393456"	172.9909	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H-H2O"	-17.0027
"295329"	380.994476	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+H"	1.007276
"683740"	570.988076	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+H"	1.007276
"1359359"	191.000876	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H"	1.007276
"133708"	191.000876	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+2H"	2.014552
"579106"	285.997676	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+2H"	2.014552
"1050463"	96.004076	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2H"	2.014552
"218970"	127.669676	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+3H"	3.021828
"652453"	191.000876	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+3H"	3.021828
"1175681"	64.338476	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+3H"	3.021828
"439925"	398.021023	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+NH4"	18.033823
"801213"	588.014623	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+NH4"	18.033823
"1696963"	208.027423	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+NH4"	18.033823
"339458"	199.5141495	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+H+NH4"	19.041099
"724588"	294.5109495	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+H+NH4"	19.041099
"1490803"	104.5173495	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H+NH4"	19.041099
"404382"	402.976418	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+Na"	22.989218
"766473"	592.970018	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+Na"	22.989218
"1612384"	212.982818	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Na"	22.989218
"323512"	201.991847	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+H+Na"	23.996494
"712654"	296.988647	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+H+Na"	23.996494
"1468661"	106.995047	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H+Na"	23.996494
"1056438"	71.66579	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2H+Na"	25.00377
"1262493"	223.027086	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+CH3OH+H"	33.033486
"381066"	418.950358	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+K"	38.963158
"746439"	608.943958	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+K"	38.963158
"1554337"	228.956758	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+K"	38.963158
"312238"	209.978817	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+H+K"	39.970434
"701376"	304.975617	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+H+K"	39.970434
"1457756"	114.982017	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H+K"	39.970434
"245993"	422.021026	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+ACN+H"	42.033826
"1222346"	232.027426	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+ACN+H"	42.033826
"1204406"	116.517351	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+ACN+2H"	43.041102
"200194"	424.95836	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+2Na-H"	44.97116
"638296"	614.95196	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+2Na-H"	44.97116
"1143257"	234.96476	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2Na-H"	44.97116
"183632"	212.982818	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+2Na"	45.978436
"621371"	307.979618	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+2Na"	45.978436
"1122691"	117.986018	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2Na"	45.978436
"1404389"	78.993104	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H+2Na"	46.985712
"1433954"	237.006346	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H+HCOOH"	47.012746
"220609"	218.01584	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+3H2O+2H"	56.04448
"1509160"	251.05839	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+IsoProp+H"	61.06479
"410670"	220.969788	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+Na+K"	61.952376
"775677"	315.966588	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+Na+K"	61.952376
"1678571"	125.972988	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Na+K"	61.952376
"264001"	444.002968	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+ACN+Na"	64.015768
"1237804"	254.009368	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+ACN+Na"	64.015768
"1725965"	254.032893	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+NH4+HCOOH"	64.039293
"1191318"	86.320418	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+3Na"	68.967654
"1663764"	258.988288	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Na+HCOOH"	68.994688
"170990"	456.90624	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+2K-H"	76.91904
"607268"	646.89984	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+2K-H"	76.91904
"1093967"	266.91264	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2K-H"	76.91904
"152970"	228.956758	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"2M+2K"	77.926316
"593623"	323.953558	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"3M+2K"	77.926316
"1081781"	133.959958	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2K"	77.926316
"1113170"	268.927192	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2K+H"	78.933592
"1349312"	269.014807	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+DMSO+H"	79.021207
"1018447"	273.053976	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2ACN+H"	83.060376
"1538395"	274.047608	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+IsoProp+Na+H"	84.054008
"1003022"	137.030626	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+2ACN+2H"	84.067652
"1600805"	274.962228	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+K+HCOOH"	84.968628
"1426468"	304.993738	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+H+CF3COOH"	115.000138
"1161125"	157.543901	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+3ACN+2H"	125.094202
"1705210"	322.020285	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+NH4+CF3COOH"	132.026685
"1639766"	326.97568	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+Na+CF3COOH"	136.98208
"1573236"	342.94962	"C06674"	"4-Sulfocatechol"	"C6H6O5S"	"189.9936"	"M+K+CF3COOH"	152.95602
"812352"	221.9834	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M"	0
"976044"	202.96501	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-H2O-H"	-19.01839
"69754"	146.981657333333	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M-3H"	-3.021828
"508220"	220.976124	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M-3H"	-3.021828
"888207"	72.9871906666667	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-3H"	-3.021828
"5690"	220.976124	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M-2H"	-2.014552
"445250"	331.967824	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M-2H"	-2.014552
"819772"	109.984424	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-2H"	-2.014552
"85233"	442.959524	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M-H"	-1.007276
"529169"	664.942924	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M-H"	-1.007276
"900414"	220.976124	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-H"	-1.007276
"48102"	459.986071	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M-2H+NH4"	16.019271
"488515"	681.969471	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M-2H+NH4"	16.019271
"877259"	238.002671	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-2H+NH4"	16.019271
"44432"	464.941466	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M-2H+Na"	20.974666
"485086"	686.924866	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M-2H+Na"	20.974666
"862525"	242.958066	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-2H+Na"	20.974666
"1633928"	242.958066	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Na-2H"	20.974666
"109691"	238.964463	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M-H+Cl"	33.962126
"549492"	349.956163	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M-H+Cl"	33.962126
"942240"	127.972763	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-H+Cl"	33.962126
"282420"	478.936202	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+Cl"	34.969402
"674963"	700.919602	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+Cl"	34.969402
"1287731"	256.952802	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Cl"	34.969402
"30291"	480.915406	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M-2H+K"	36.948606
"470696"	702.898806	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M-2H+K"	36.948606
"848094"	258.932006	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-2H+K"	36.948606
"1570767"	258.932006	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+K-2H"	36.948606
"957433"	266.981594	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-H+HCOOH"	44.998194
"374554"	488.965001	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+HCOOH-H"	44.998201
"360626"	502.980651	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+Hac-H"	59.013851
"1504718"	280.997251	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Hac-H"	59.013851
"973726"	288.963551	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-H+NaCOOH"	66.980151
"125229"	256.952802	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+2Cl"	69.938804
"565230"	367.944502	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+2Cl"	69.938804
"1036345"	145.961102	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2Cl"	69.938804
"1256521"	300.902285	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Br"	78.918885
"1319417"	302.958272	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Cl+HCOOH"	80.974872
"1335290"	324.940229	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Cl+NaCOOH"	102.956829
"926800"	334.968986	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M-H+CF3COOH"	112.985586
"1303501"	370.945664	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Cl+CF3COOH"	148.962264
"1379715"	186.970724	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H-2H2O"	-35.012676
"1394293"	204.9807	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H-H2O"	-17.0027
"294710"	444.974076	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+H"	1.007276
"686038"	666.957476	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+H"	1.007276
"1360197"	222.990676	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H"	1.007276
"135276"	222.990676	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+2H"	2.014552
"579216"	333.982376	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+2H"	2.014552
"1051666"	111.998976	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2H"	2.014552
"218472"	148.996209333333	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+3H"	3.021828
"652563"	222.990676	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+3H"	3.021828
"1175062"	75.0017426666667	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+3H"	3.021828
"439431"	462.000623	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+NH4"	18.033823
"801158"	683.984023	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+NH4"	18.033823
"1695665"	240.017223	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+NH4"	18.033823
"339568"	231.5039495	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+H+NH4"	19.041099
"723969"	342.4956495	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+H+NH4"	19.041099
"1490913"	120.5122495	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H+NH4"	19.041099
"404492"	466.956018	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+Na"	22.989218
"766583"	688.939418	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+Na"	22.989218
"1610306"	244.972618	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Na"	22.989218
"321435"	233.981647	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+H+Na"	23.996494
"711671"	344.973347	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+H+Na"	23.996494
"1466585"	122.989947	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H+Na"	23.996494
"1054726"	82.3290566666667	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2H+Na"	25.00377
"1260781"	255.016886	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+CH3OH+H"	33.033486
"379354"	482.929958	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+K"	38.963158
"743270"	704.913358	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+K"	38.963158
"1552986"	260.946558	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+K"	38.963158
"310160"	241.968617	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+H+K"	39.970434
"699299"	352.960317	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+H+K"	39.970434
"1458594"	130.976917	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H+K"	39.970434
"247926"	486.000626	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+ACN+H"	42.033826
"1222456"	264.017226	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+ACN+H"	42.033826
"1204880"	132.512251	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+ACN+2H"	43.041102
"200668"	488.93796	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+2Na-H"	44.97116
"638406"	710.92136	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+2Na-H"	44.97116
"1143367"	266.95456	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2Na-H"	44.97116
"184106"	244.972618	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+2Na"	45.978436
"620023"	355.964318	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+2Na"	45.978436
"1120977"	133.980918	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2Na"	45.978436
"1402312"	89.6563706666667	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H+2Na"	46.985712
"1434428"	268.996146	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H+HCOOH"	47.012746
"220717"	250.00564	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+3H2O+2H"	56.04448
"1509269"	283.04819	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+IsoProp+H"	61.06479
"410416"	252.959588	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+Na+K"	61.952376
"774694"	363.951288	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+Na+K"	61.952376
"1671024"	141.967888	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Na+K"	61.952376
"260826"	507.982568	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+ACN+Na"	64.015768
"1238643"	285.999168	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+ACN+Na"	64.015768
"1726676"	286.022693	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+NH4+HCOOH"	64.039293
"1192520"	96.9836846666667	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+3Na"	68.967654
"1663139"	290.978088	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Na+HCOOH"	68.994688
"171464"	520.88584	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+2K-H"	76.91904
"607378"	742.86924	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+2K-H"	76.91904
"1094077"	298.90244	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2K-H"	76.91904
"153080"	260.946558	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"2M+2K"	77.926316
"593733"	371.938258	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"3M+2K"	77.926316
"1082498"	149.954858	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2K"	77.926316
"1113642"	300.916992	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2K+H"	78.933592
"1349906"	301.004607	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+DMSO+H"	79.021207
"1018557"	305.043776	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2ACN+H"	83.060376
"1538869"	306.037408	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+IsoProp+Na+H"	84.054008
"1004225"	153.025526	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+2ACN+2H"	84.067652
"1600915"	306.952028	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+K+HCOOH"	84.968628
"1427671"	336.983538	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+H+CF3COOH"	115.000138
"1156861"	173.538801	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+3ACN+2H"	125.094202
"1705320"	354.010085	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+NH4+CF3COOH"	132.026685
"1639876"	358.96548	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+Na+CF3COOH"	136.98208
"1572253"	374.93942	"C06675"	"3-Sulfomuconate"	"C6H6O7S"	"221.9834"	"M+K+CF3COOH"	152.95602
"801767"	221.9834	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M"	0
"976153"	202.96501	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-H2O-H"	-19.01839
"70957"	146.981657333333	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M-3H"	-3.021828
"509422"	220.976124	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M-3H"	-3.021828
"885035"	72.9871906666667	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-3H"	-3.021828
"2518"	220.976124	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M-2H"	-2.014552
"445356"	331.967824	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M-2H"	-2.014552
"819876"	109.984424	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-2H"	-2.014552
"83149"	442.959524	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M-H"	-1.007276
"522717"	664.942924	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M-H"	-1.007276
"898329"	220.976124	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-H"	-1.007276
"49429"	459.986071	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M-2H+NH4"	16.019271
"490082"	681.969471	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M-2H+NH4"	16.019271
"865203"	238.002671	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-2H+NH4"	16.019271
"39072"	464.941466	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M-2H+Na"	20.974666
"483006"	686.924866	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M-2H+Na"	20.974666
"861902"	242.958066	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-2H+Na"	20.974666
"1627062"	242.958066	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Na-2H"	20.974666
"106871"	238.964463	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M-H+Cl"	33.962126
"547162"	349.956163	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M-H+Cl"	33.962126
"942344"	127.972763	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-H+Cl"	33.962126
"282727"	478.936202	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+Cl"	34.969402
"675476"	700.919602	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+Cl"	34.969402
"1288280"	256.952802	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Cl"	34.969402
"31240"	480.915406	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M-2H+K"	36.948606
"471383"	702.898806	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M-2H+K"	36.948606
"848277"	258.932006	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-2H+K"	36.948606
"1570993"	258.932006	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+K-2H"	36.948606
"957781"	266.981594	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-H+HCOOH"	44.998194
"374300"	488.965001	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+HCOOH-H"	44.998201
"357813"	502.980651	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+Hac-H"	59.013851
"1505555"	280.997251	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Hac-H"	59.013851
"969814"	288.963551	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-H+NaCOOH"	66.980151
"123464"	256.952802	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+2Cl"	69.938804
"565539"	367.944502	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+2Cl"	69.938804
"1036444"	145.961102	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2Cl"	69.938804
"1256145"	300.902285	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Br"	78.918885
"1317494"	302.958272	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Cl+HCOOH"	80.974872
"1334262"	324.940229	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Cl+NaCOOH"	102.956829
"924952"	334.968986	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M-H+CF3COOH"	112.985586
"1300932"	370.945664	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Cl+CF3COOH"	148.962264
"1376904"	186.970724	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H-2H2O"	-35.012676
"1390027"	204.9807	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H-H2O"	-17.0027
"288618"	444.974076	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+H"	1.007276
"685049"	666.957476	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+H"	1.007276
"1358482"	222.990676	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H"	1.007276
"128454"	222.990676	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+2H"	2.014552
"576047"	333.982376	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+2H"	2.014552
"1046307"	111.998976	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2H"	2.014552
"210926"	148.996209333333	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+3H"	3.021828
"650484"	222.990676	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+3H"	3.021828
"1163382"	75.0017426666667	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+3H"	3.021828
"428602"	462.000623	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+NH4"	18.033823
"785828"	683.984023	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+NH4"	18.033823
"1693583"	240.017223	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+NH4"	18.033823
"338585"	231.5039495	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+H+NH4"	19.041099
"726631"	342.4956495	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+H+NH4"	19.041099
"1489201"	120.5122495	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H+NH4"	19.041099
"401319"	466.956018	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+Na"	22.989218
"759038"	688.939418	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+Na"	22.989218
"1607134"	244.972618	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Na"	22.989218
"314532"	233.981647	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+H+Na"	23.996494
"707115"	344.973347	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+H+Na"	23.996494
"1461452"	122.989947	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H+Na"	23.996494
"1052835"	82.3290566666667	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2H+Na"	25.00377
"1257125"	255.016886	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+CH3OH+H"	33.033486
"377171"	482.929958	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+K"	38.963158
"743380"	704.913358	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+K"	38.963158
"1552003"	260.946558	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+K"	38.963158
"310270"	241.968617	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+H+K"	39.970434
"701595"	352.960317	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+H+K"	39.970434
"1459796"	130.976917	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H+K"	39.970434
"250347"	486.000626	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+ACN+H"	42.033826
"1222566"	264.017226	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+ACN+H"	42.033826
"1204990"	132.512251	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+ACN+2H"	43.041102
"197862"	488.93796	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+2Na-H"	44.97116
"636330"	710.92136	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+2Na-H"	44.97116
"1140925"	266.95456	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2Na-H"	44.97116
"186038"	244.972618	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+2Na"	45.978436
"619767"	355.964318	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+2Na"	45.978436
"1123275"	133.980918	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2Na"	45.978436
"1401693"	89.6563706666667	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H+2Na"	46.985712
"1433809"	268.996146	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H+HCOOH"	47.012746
"220952"	250.00564	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+3H2O+2H"	56.04448
"1509015"	283.04819	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+IsoProp+H"	61.06479
"411983"	252.959588	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+Na+K"	61.952376
"776990"	363.951288	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+Na+K"	61.952376
"1672227"	141.967888	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Na+K"	61.952376
"259842"	507.982568	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+ACN+Na"	64.015768
"1236929"	285.999168	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+ACN+Na"	64.015768
"1725814"	286.022693	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+NH4+HCOOH"	64.039293
"1188981"	96.9836846666667	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+3Na"	68.967654
"1661062"	290.978088	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Na+HCOOH"	68.994688
"171938"	520.88584	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+2K-H"	76.91904
"607488"	742.86924	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+2K-H"	76.91904
"1094187"	298.90244	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2K-H"	76.91904
"153190"	260.946558	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"2M+2K"	77.926316
"590563"	371.938258	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"3M+2K"	77.926316
"1082365"	149.954858	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2K"	77.926316
"1110472"	300.916992	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2K+H"	78.933592
"1347949"	301.004607	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+DMSO+H"	79.021207
"1019760"	305.043776	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2ACN+H"	83.060376
"1538980"	306.037408	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+IsoProp+Na+H"	84.054008
"1003241"	153.025526	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+2ACN+2H"	84.067652
"1599929"	306.952028	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+K+HCOOH"	84.968628
"1424498"	336.983538	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+H+CF3COOH"	115.000138
"1156971"	173.538801	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+3ACN+2H"	125.094202
"1705429"	354.010085	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+NH4+CF3COOH"	132.026685
"1643266"	358.96548	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+Na+CF3COOH"	136.98208
"1573456"	374.93942	"C06676"	"4-Sulfolactone;4-Carboxymethyl-4-sulfobut-2-en-4-olide;4-Sulfomuconolactone"	"C6H6O7S"	"221.9834"	"M+K+CF3COOH"	152.95602
"802728"	172.0194	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M"	0
"976263"	153.00101	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-H2O-H"	-19.01839
"71067"	113.672324	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M-3H"	-3.021828
"506252"	171.012124	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M-3H"	-3.021828
"886238"	56.332524	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-3H"	-3.021828
"3720"	171.012124	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M-2H"	-2.014552
"441578"	257.021824	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M-2H"	-2.014552
"821078"	85.002424	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-2H"	-2.014552
"82163"	343.031524	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M-H"	-1.007276
"525013"	515.050924	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M-H"	-1.007276
"896250"	171.012124	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-H"	-1.007276
"47257"	360.058071	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M-2H+NH4"	16.019271
"487638"	532.077471	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M-2H+NH4"	16.019271
"864361"	188.038671	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-2H+NH4"	16.019271
"39182"	365.013466	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M-2H+Na"	20.974666
"483116"	537.032866	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M-2H+Na"	20.974666
"860919"	192.994066	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-2H+Na"	20.974666
"1627172"	192.994066	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Na-2H"	20.974666
"104793"	189.000463	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M-H+Cl"	33.962126
"546907"	275.010163	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M-H+Cl"	33.962126
"942612"	102.990763	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-H+Cl"	33.962126
"282510"	379.008202	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+Cl"	34.969402
"675507"	551.027602	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+Cl"	34.969402
"1288307"	206.988802	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Cl"	34.969402
"31105"	380.987406	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M-2H+K"	36.948606
"471190"	553.006806	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M-2H+K"	36.948606
"848279"	208.968006	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-2H+K"	36.948606
"1570779"	208.968006	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+K-2H"	36.948606
"957526"	217.017594	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-H+HCOOH"	44.998194
"374043"	389.037001	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+HCOOH-H"	44.998201
"356830"	403.052651	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+Hac-H"	59.013851
"1504936"	231.033251	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Hac-H"	59.013851
"969924"	238.999551	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-H+NaCOOH"	66.980151
"122116"	206.988802	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+2Cl"	69.938804
"563865"	292.998502	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+2Cl"	69.938804
"1034486"	120.979102	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2Cl"	69.938804
"1255888"	250.938285	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Br"	78.918885
"1318332"	252.994272	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Cl+HCOOH"	80.974872
"1335100"	274.976229	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Cl+NaCOOH"	102.956829
"926521"	285.004986	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M-H+CF3COOH"	112.985586
"1297761"	320.981664	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Cl+CF3COOH"	148.962264
"1378837"	137.006724	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H-2H2O"	-35.012676
"1389042"	155.0167	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H-H2O"	-17.0027
"292008"	345.046076	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+H"	1.007276
"681148"	517.065476	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+H"	1.007276
"1360778"	173.026676	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H"	1.007276
"132574"	173.026676	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+2H"	2.014552
"577250"	259.036376	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+2H"	2.014552
"1044231"	87.016976	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2H"	2.014552
"211036"	115.686876	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+3H"	3.021828
"650594"	173.026676	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+3H"	3.021828
"1163084"	58.347076	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+3H"	3.021828
"428712"	362.072623	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+NH4"	18.033823
"785893"	534.092023	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+NH4"	18.033823
"1693693"	190.053223	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+NH4"	18.033823
"338696"	181.5399495	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+H+NH4"	19.041099
"726741"	267.5496495	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+H+NH4"	19.041099
"1489311"	95.5302495	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H+NH4"	19.041099
"399242"	367.028018	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+Na"	22.989218
"760605"	539.047418	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+Na"	22.989218
"1607243"	195.008618	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Na"	22.989218
"314643"	184.017647	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+H+Na"	23.996494
"707586"	270.027347	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+H+Na"	23.996494
"1461929"	98.007947	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H+Na"	23.996494
"1052829"	65.67439	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2H+Na"	25.00377
"1257834"	205.052886	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+CH3OH+H"	33.033486
"377241"	383.001958	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+K"	38.963158
"738667"	555.021358	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+K"	38.963158
"1551014"	210.982558	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+K"	38.963158
"307096"	192.004617	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+H+K"	39.970434
"700612"	278.014317	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+H+K"	39.970434
"1454431"	105.994917	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H+K"	39.970434
"250457"	386.072626	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+ACN+H"	42.033826
"1220124"	214.053226	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+ACN+H"	42.033826
"1205100"	107.530251	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+ACN+2H"	43.041102
"199065"	389.00996	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+2Na-H"	44.97116
"638625"	561.02936	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+2Na-H"	44.97116
"1139576"	216.99056	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2Na-H"	44.97116
"186148"	195.008618	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+2Na"	45.978436
"619149"	281.018318	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+2Na"	45.978436
"1121562"	108.998918	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2Na"	45.978436
"1401439"	73.001704	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H+2Na"	46.985712
"1435379"	219.032146	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H+HCOOH"	47.012746
"221792"	200.04164	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+3H2O+2H"	56.04448
"1513134"	233.08419	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+IsoProp+H"	61.06479
"412823"	202.995588	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+Na+K"	61.952376
"777100"	289.005288	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+Na+K"	61.952376
"1672337"	116.985888	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Na+K"	61.952376
"258858"	408.054568	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+ACN+Na"	64.015768
"1235941"	236.035168	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+ACN+Na"	64.015768
"1725924"	236.058693	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+NH4+HCOOH"	64.039293
"1185809"	80.329018	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+3Na"	68.967654
"1662265"	241.014088	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Na+HCOOH"	68.994688
"169129"	420.95784	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+2K-H"	76.91904
"609057"	592.97724	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+2K-H"	76.91904
"1096484"	248.93844	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2K-H"	76.91904
"154393"	210.982558	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"2M+2K"	77.926316
"590673"	296.992258	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"3M+2K"	77.926316
"1078465"	124.972858	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2K"	77.926316
"1111674"	250.952992	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2K+H"	78.933592
"1344779"	251.040607	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+DMSO+H"	79.021207
"1018776"	255.079776	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2ACN+H"	83.060376
"1537996"	256.073408	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+IsoProp+Na+H"	84.054008
"1003351"	128.043526	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+2ACN+2H"	84.067652
"1598582"	256.988028	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+K+HCOOH"	84.968628
"1424608"	287.019538	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+H+CF3COOH"	115.000138
"1154894"	148.556801	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+3ACN+2H"	125.094202
"1704445"	304.046085	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+NH4+CF3COOH"	132.026685
"1640096"	309.00148	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+Na+CF3COOH"	136.98208
"1572473"	324.97542	"C06677"	"Toluene-4-sulfonate;Tosylate"	"C7H8O3S"	"172.0194"	"M+K+CF3COOH"	152.95602
"803932"	188.0143	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M"	0
"978559"	168.99591	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-H2O-H"	-19.01839
"71177"	124.335590666667	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M-3H"	-3.021828
"510736"	187.007024	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M-3H"	-3.021828
"886348"	61.6641573333333	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-3H"	-3.021828
"2738"	187.007024	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M-2H"	-2.014552
"443395"	281.014174	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M-2H"	-2.014552
"818156"	92.999874	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-2H"	-2.014552
"79721"	375.021324	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M-H"	-1.007276
"530592"	563.035624	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M-H"	-1.007276
"900739"	187.007024	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-H"	-1.007276
"47690"	392.047871	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M-2H+NH4"	16.019271
"487498"	580.062171	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M-2H+NH4"	16.019271
"864609"	204.033571	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-2H+NH4"	16.019271
"39292"	397.003266	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M-2H+Na"	20.974666
"482133"	585.017566	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M-2H+Na"	20.974666
"860669"	208.988966	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-2H+Na"	20.974666
"1629471"	208.988966	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Na-2H"	20.974666
"104905"	204.995363	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M-H+Cl"	33.962126
"547749"	299.002513	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M-H+Cl"	33.962126
"940169"	110.988213	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-H+Cl"	33.962126
"282009"	410.998002	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+Cl"	34.969402
"674430"	599.012302	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+Cl"	34.969402
"1288214"	222.983702	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Cl"	34.969402
"30365"	412.977206	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M-2H+K"	36.948606
"470777"	600.991506	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M-2H+K"	36.948606
"846755"	224.962906	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-2H+K"	36.948606
"1570607"	224.962906	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+K-2H"	36.948606
"957757"	233.012494	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-H+HCOOH"	44.998194
"371966"	421.026801	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+HCOOH-H"	44.998201
"357673"	435.042451	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+Hac-H"	59.013851
"1503591"	247.028151	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Hac-H"	59.013851
"971499"	254.994451	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-H+NaCOOH"	66.980151
"123323"	222.983702	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+2Cl"	69.938804
"560694"	316.990852	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+2Cl"	69.938804
"1032047"	128.976552	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2Cl"	69.938804
"1253811"	266.933185	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Br"	78.918885
"1316622"	268.989172	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Cl+HCOOH"	80.974872
"1333389"	290.971129	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Cl+NaCOOH"	102.956829
"925542"	300.999886	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M-H+CF3COOH"	112.985586
"1297874"	336.976564	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Cl+CF3COOH"	148.962264
"1382357"	153.001624	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H-2H2O"	-35.012676
"1394619"	171.0116	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H-H2O"	-17.0027
"291024"	377.035876	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+H"	1.007276
"682354"	565.050176	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+H"	1.007276
"1358703"	189.021576	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H"	1.007276
"131591"	189.021576	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+2H"	2.014552
"578821"	283.028726	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+2H"	2.014552
"1051391"	95.014426	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2H"	2.014552
"217710"	126.350142666667	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+3H"	3.021828
"653989"	189.021576	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+3H"	3.021828
"1175395"	63.6787093333333	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+3H"	3.021828
"436478"	394.062423	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+NH4"	18.033823
"797113"	582.076723	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+NH4"	18.033823
"1694901"	206.048123	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+NH4"	18.033823
"343178"	197.5348495	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+H+NH4"	19.041099
"732321"	291.5419995	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+H+NH4"	19.041099
"1483956"	103.5276995	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H+NH4"	19.041099
"401541"	399.017818	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+Na"	22.989218
"756706"	587.032118	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+Na"	22.989218
"1607720"	211.003518	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Na"	22.989218
"317389"	200.012547	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+H+Na"	23.996494
"707985"	294.019697	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+H+Na"	23.996494
"1462411"	106.005397	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H+Na"	23.996494
"1053227"	71.0060233333333	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2H+Na"	25.00377
"1257817"	221.047786	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+CH3OH+H"	33.033486
"377852"	414.991758	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+K"	38.963158
"739575"	603.006058	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+K"	38.963158
"1553924"	226.977458	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+K"	38.963158
"312920"	207.999517	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+H+K"	39.970434
"700722"	302.006667	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+H+K"	39.970434
"1459772"	113.992367	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H+K"	39.970434
"248984"	418.062426	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+ACN+H"	42.033826
"1221327"	230.048126	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+ACN+H"	42.033826
"1206670"	115.527701	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+ACN+2H"	43.041102
"195896"	420.99976	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+2Na-H"	44.97116
"634726"	609.01406	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+2Na-H"	44.97116
"1140053"	232.98546	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2Na-H"	44.97116
"178605"	211.003518	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+2Na"	45.978436
"619625"	305.010668	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+2Na"	45.978436
"1121672"	116.996368	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2Na"	45.978436
"1403736"	78.3333373333333	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H+2Na"	46.985712
"1435490"	235.027046	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H+HCOOH"	47.012746
"222996"	216.03654	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+3H2O+2H"	56.04448
"1510330"	249.07909	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+IsoProp+H"	61.06479
"411474"	218.990488	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+Na+K"	61.952376
"772834"	312.997638	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+Na+K"	61.952376
"1674635"	124.983338	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Na+K"	61.952376
"257875"	440.044368	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+ACN+Na"	64.015768
"1236051"	252.030068	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+ACN+Na"	64.015768
"1724940"	252.053593	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+NH4+HCOOH"	64.039293
"1189202"	85.6606513333333	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+3Na"	68.967654
"1662376"	257.008988	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Na+HCOOH"	68.994688
"168147"	452.94764	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+2K-H"	76.91904
"608804"	640.96194	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+2K-H"	76.91904
"1092221"	264.93334	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2K-H"	76.91904
"152317"	226.977458	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"2M+2K"	77.926316
"589692"	320.984608	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"3M+2K"	77.926316
"1076390"	132.970308	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2K"	77.926316
"1107413"	266.947892	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2K+H"	78.933592
"1337237"	267.035507	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+DMSO+H"	79.021207
"1006003"	271.074676	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2ACN+H"	83.060376
"1526079"	272.068308	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+IsoProp+Na+H"	84.054008
"995807"	136.040976	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+2ACN+2H"	84.067652
"1592499"	272.982928	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+K+HCOOH"	84.968628
"1423625"	303.014438	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+H+CF3COOH"	115.000138
"1149903"	156.554251	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+3ACN+2H"	125.094202
"1701276"	320.040985	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+NH4+CF3COOH"	132.026685
"1639116"	324.99638	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+Na+CF3COOH"	136.98208
"1574766"	340.97032	"C06678"	"4-Sulfobenzyl alcohol;4-(Hydroxymethyl)benzenesulfonate"	"C7H8O4S"	"188.0143"	"M+K+CF3COOH"	152.95602
"801526"	185.9987	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M"	0
"978669"	166.98031	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-H2O-H"	-19.01839
"73473"	122.991857333333	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M-3H"	-3.021828
"509752"	184.991424	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M-3H"	-3.021828
"886458"	60.9922906666667	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-3H"	-3.021828
"2848"	184.991424	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M-2H"	-2.014552
"445691"	277.990774	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M-2H"	-2.014552
"819238"	91.992074	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-2H"	-2.014552
"79105"	370.990124	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M-H"	-1.007276
"523047"	556.988824	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M-H"	-1.007276
"897689"	184.991424	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-H"	-1.007276
"47436"	388.016671	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M-2H+NH4"	16.019271
"488944"	574.015371	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M-2H+NH4"	16.019271
"864596"	202.017971	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-2H+NH4"	16.019271
"39402"	392.972066	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M-2H+Na"	20.974666
"475681"	578.970766	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M-2H+Na"	20.974666
"861868"	206.973366	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-2H+Na"	20.974666
"1630308"	206.973366	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Na-2H"	20.974666
"107202"	202.979763	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M-H+Cl"	33.962126
"549193"	295.979113	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M-H+Cl"	33.962126
"935903"	109.980413	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-H+Cl"	33.962126
"280656"	406.966802	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+Cl"	34.969402
"671256"	592.965502	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+Cl"	34.969402
"1287554"	220.968102	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Cl"	34.969402
"29988"	408.946006	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M-2H+K"	36.948606
"470645"	594.944706	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M-2H+K"	36.948606
"847712"	222.947306	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-2H+K"	36.948606
"1570836"	222.947306	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+K-2H"	36.948606
"955677"	230.996894	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-H+HCOOH"	44.998194
"373169"	416.995601	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+HCOOH-H"	44.998201
"358875"	431.011251	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+Hac-H"	59.013851
"1499325"	245.012551	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Hac-H"	59.013851
"970147"	252.978851	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-H+NaCOOH"	66.980151
"121974"	220.968102	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+2Cl"	69.938804
"561897"	313.967452	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+2Cl"	69.938804
"1033613"	127.968752	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2Cl"	69.938804
"1255378"	264.917585	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Br"	78.918885
"1318189"	266.973572	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Cl+HCOOH"	80.974872
"1330219"	288.955529	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Cl+NaCOOH"	102.956829
"920182"	298.984286	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M-H+CF3COOH"	112.985586
"1296890"	334.960964	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Cl+CF3COOH"	148.962264
"1381248"	150.986024	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H-2H2O"	-35.012676
"1396190"	168.996	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H-H2O"	-17.0027
"291500"	373.004676	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+H"	1.007276
"682464"	559.003376	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+H"	1.007276
"1354073"	187.005976	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H"	1.007276
"130608"	187.005976	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+2H"	2.014552
"580024"	280.005326	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+2H"	2.014552
"1047732"	94.006626	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2H"	2.014552
"213446"	125.006409333333	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+3H"	3.021828
"654098"	187.005976	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+3H"	3.021828
"1175504"	63.0068426666667	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+3H"	3.021828
"435494"	390.031223	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+NH4"	18.033823
"797584"	576.029923	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+NH4"	18.033823
"1694646"	204.032523	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+NH4"	18.033823
"343290"	195.5192495	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+H+NH4"	19.041099
"733524"	288.5185995	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+H+NH4"	19.041099
"1485159"	102.5198995	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H+NH4"	19.041099
"401651"	394.986618	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+Na"	22.989218
"756816"	580.985318	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+Na"	22.989218
"1608559"	208.987918	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Na"	22.989218
"317499"	197.996947	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+H+Na"	23.996494
"708581"	290.996297	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+H+Na"	23.996494
"1463372"	104.997597	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H+Na"	23.996494
"1053947"	70.3341566666667	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2H+Na"	25.00377
"1258903"	219.032186	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+CH3OH+H"	33.033486
"379785"	410.960558	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+K"	38.963158
"740416"	596.959258	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+K"	38.963158
"1553792"	224.961858	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+K"	38.963158
"313395"	205.983917	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+H+K"	39.970434
"701925"	298.983267	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+H+K"	39.970434
"1455749"	112.984567	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H+K"	39.970434
"249824"	414.031226	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+ACN+H"	42.033826
"1222896"	228.032526	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+ACN+H"	42.033826
"1206780"	114.519901	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+ACN+2H"	43.041102
"196006"	416.96856	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+2Na-H"	44.97116
"633012"	602.96726	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+2Na-H"	44.97116
"1140163"	230.96986	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2Na-H"	44.97116
"178351"	208.987918	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+2Na"	45.978436
"621559"	301.987268	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+2Na"	45.978436
"1121418"	115.988568	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2Na"	45.978436
"1405670"	77.6614706666667	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H+2Na"	46.985712
"1433048"	233.011446	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H+HCOOH"	47.012746
"223835"	214.02094	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+3H2O+2H"	56.04448
"1510076"	247.06349	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+IsoProp+H"	61.06479
"410491"	216.974888	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+Na+K"	61.952376
"772216"	309.974238	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+Na+K"	61.952376
"1671463"	123.975538	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Na+K"	61.952376
"254704"	436.013168	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+ACN+Na"	64.015768
"1235796"	250.014468	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+ACN+Na"	64.015768
"1718488"	250.037993	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+NH4+HCOOH"	64.039293
"1187125"	84.9887846666667	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+3Na"	68.967654
"1663215"	254.993388	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Na+HCOOH"	68.994688
"163880"	448.91644	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+2K-H"	76.91904
"605997"	634.91514	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+2K-H"	76.91904
"1092331"	262.91774	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2K-H"	76.91904
"153522"	224.961858	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"2M+2K"	77.926316
"589802"	317.961208	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"3M+2K"	77.926316
"1078687"	131.962508	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2K"	77.926316
"1110804"	264.932292	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2K+H"	78.933592
"1339534"	265.019907	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+DMSO+H"	79.021207
"1005681"	269.059076	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2ACN+H"	83.060376
"1526190"	270.052708	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+IsoProp+Na+H"	84.054008
"994824"	135.033176	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+2ACN+2H"	84.067652
"1593702"	270.967328	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+K+HCOOH"	84.968628
"1423735"	300.998838	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+H+CF3COOH"	115.000138
"1148920"	155.546451	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+3ACN+2H"	125.094202
"1699200"	318.025385	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+NH4+CF3COOH"	132.026685
"1638133"	322.98078	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+Na+CF3COOH"	136.98208
"1573783"	338.95472	"C06679"	"4-Sulfobenzaldehyde;4-Formylbenzenesulfonate"	"C7H6O4S"	"185.9987"	"M+K+CF3COOH"	152.95602
"809622"	182.0215	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M"	0
"979873"	163.00311	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-H2O-H"	-19.01839
"72491"	120.340390666667	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M-3H"	-3.021828
"508770"	181.014224	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M-3H"	-3.021828
"884386"	59.6665573333333	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-3H"	-3.021828
"6240"	181.014224	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M-2H"	-2.014552
"442522"	272.024974	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M-2H"	-2.014552
"820321"	90.003474	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-2H"	-2.014552
"89062"	363.035724	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M-H"	-1.007276
"519992"	545.057224	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M-H"	-1.007276
"896941"	181.014224	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-H"	-1.007276
"48042"	380.062271	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M-2H+NH4"	16.019271
"487603"	562.083771	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M-2H+NH4"	16.019271
"865398"	198.040771	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-2H+NH4"	16.019271
"41335"	385.017666	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M-2H+Na"	20.974666
"481990"	567.039166	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M-2H+Na"	20.974666
"854687"	202.996166	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-2H+Na"	20.974666
"1631512"	202.996166	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Na-2H"	20.974666
"108043"	199.002563	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M-H+Cl"	33.962126
"548697"	290.013313	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M-H+Cl"	33.962126
"938929"	107.991813	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-H+Cl"	33.962126
"281741"	399.012402	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+Cl"	34.969402
"671367"	581.033902	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+Cl"	34.969402
"1287051"	216.990902	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Cl"	34.969402
"30339"	400.991606	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M-2H+K"	36.948606
"469899"	583.013106	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M-2H+K"	36.948606
"846970"	218.970106	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-2H+K"	36.948606
"1569367"	218.970106	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+K-2H"	36.948606
"957249"	227.019694	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-H+HCOOH"	44.998194
"368907"	409.041201	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+HCOOH-H"	44.998201
"357164"	423.056851	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+Hac-H"	59.013851
"1503809"	241.035351	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Hac-H"	59.013851
"969896"	249.001651	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-H+NaCOOH"	66.980151
"120260"	216.990902	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+2Cl"	69.938804
"557634"	308.001652	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+2Cl"	69.938804
"1030806"	125.980152	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2Cl"	69.938804
"1253667"	260.940385	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Br"	78.918885
"1318302"	262.996372	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Cl+HCOOH"	80.974872
"1333977"	284.978329	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Cl+NaCOOH"	102.956829
"926740"	295.007086	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M-H+CF3COOH"	112.985586
"1302830"	330.983764	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Cl+CF3COOH"	148.962264
"1382209"	147.008824	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H-2H2O"	-35.012676
"1397029"	165.0188	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H-H2O"	-17.0027
"292704"	365.050276	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+H"	1.007276
"680387"	547.071776	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+H"	1.007276
"1353453"	183.028776	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H"	1.007276
"130718"	183.028776	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+2H"	2.014552
"580135"	274.039526	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+2H"	2.014552
"1045656"	92.018026	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2H"	2.014552
"211369"	122.354942666667	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+3H"	3.021828
"653116"	183.028776	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+3H"	3.021828
"1173427"	61.6811093333333	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+3H"	3.021828
"435604"	382.076823	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+NH4"	18.033823
"794412"	564.098323	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+NH4"	18.033823
"1694392"	200.055323	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+NH4"	18.033823
"340118"	191.5420495	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+H+NH4"	19.041099
"733634"	282.5527995	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+H+NH4"	19.041099
"1486363"	100.5312995	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H+NH4"	19.041099
"405041"	387.032218	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+Na"	22.989218
"759478"	569.053718	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+Na"	22.989218
"1610856"	205.010718	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Na"	22.989218
"317611"	194.019747	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+H+Na"	23.996494
"710028"	285.030497	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+H+Na"	23.996494
"1462151"	103.008997	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H+Na"	23.996494
"1054911"	69.0084233333333	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2H+Na"	25.00377
"1258777"	215.054986	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+CH3OH+H"	33.033486
"378447"	403.006158	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+K"	38.963158
"740534"	585.027658	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+K"	38.963158
"1553902"	220.984658	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+K"	38.963158
"311803"	202.006717	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+H+K"	39.970434
"702036"	293.017467	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+H+K"	39.970434
"1460237"	110.995967	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H+K"	39.970434
"244466"	406.076826	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+ACN+H"	42.033826
"1221184"	224.055326	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+ACN+H"	42.033826
"1206892"	112.531301	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+ACN+2H"	43.041102
"198302"	409.01416	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+2Na-H"	44.97116
"634582"	591.03566	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+2Na-H"	44.97116
"1139181"	226.99266	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2Na-H"	44.97116
"180286"	205.010718	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+2Na"	45.978436
"623855"	296.021468	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+2Na"	45.978436
"1123351"	113.999968	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2Na"	45.978436
"1401040"	76.3357373333333	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H+2Na"	46.985712
"1436804"	229.034246	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H+HCOOH"	47.012746
"226497"	210.04374	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+3H2O+2H"	56.04448
"1515655"	243.08629	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+IsoProp+H"	61.06479
"413154"	212.997688	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+Na+K"	61.952376
"777430"	304.008438	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+Na+K"	61.952376
"1673761"	121.986938	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Na+K"	61.952376
"254814"	428.058768	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+ACN+Na"	64.015768
"1232990"	246.037268	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+ACN+Na"	64.015768
"1718598"	246.060793	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+NH4+HCOOH"	64.039293
"1191610"	83.6630513333333	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+3Na"	68.967654
"1663326"	251.016188	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Na+HCOOH"	68.994688
"163990"	440.96204	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+2K-H"	76.91904
"608295"	622.98354	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+2K-H"	76.91904
"1094266"	258.94054	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2K-H"	76.91904
"149988"	220.984658	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"2M+2K"	77.926316
"590643"	311.995408	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"3M+2K"	77.926316
"1078071"	129.973908	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2K"	77.926316
"1109823"	260.955092	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2K+H"	78.933592
"1344019"	261.042707	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+DMSO+H"	79.021207
"1008173"	265.081876	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2ACN+H"	83.060376
"1524595"	266.075508	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+IsoProp+Na+H"	84.054008
"991654"	133.044576	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+2ACN+2H"	84.067652
"1594906"	266.990128	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+K+HCOOH"	84.968628
"1424938"	297.021638	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+H+CF3COOH"	115.000138
"1148667"	153.557851	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+3ACN+2H"	125.094202
"1698582"	314.048185	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+NH4+CF3COOH"	132.026685
"1638243"	319.00358	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+Na+CF3COOH"	136.98208
"1572803"	334.97752	"C06680"	"4-Hydroxyphthalate"	"C8H6O5"	"182.0215"	"M+K+CF3COOH"	152.95602
"809732"	334.1277	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M"	0
"979983"	315.10931	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-H2O-H"	-19.01839
"71508"	221.744524	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M-3H"	-3.021828
"513253"	333.120424	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M-3H"	-3.021828
"886682"	110.368624	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-3H"	-3.021828
"6350"	333.120424	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M-2H"	-2.014552
"442628"	500.184274	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M-2H"	-2.014552
"819702"	166.056574	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-2H"	-2.014552
"82612"	667.248124	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M-H"	-1.007276
"520345"	1001.375824	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M-H"	-1.007276
"897175"	333.120424	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-H"	-1.007276
"48152"	684.274671	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M-2H+NH4"	16.019271
"488813"	1018.402371	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M-2H+NH4"	16.019271
"864661"	350.146971	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-2H+NH4"	16.019271
"41809"	689.230066	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M-2H+Na"	20.974666
"476996"	1023.357766	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M-2H+Na"	20.974666
"852610"	355.102366	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-2H+Na"	20.974666
"1632351"	355.102366	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Na-2H"	20.974666
"109959"	351.108763	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M-H+Cl"	33.962126
"549336"	518.172613	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M-H+Cl"	33.962126
"942079"	184.044913	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-H+Cl"	33.962126
"281972"	703.224802	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+Cl"	34.969402
"674636"	1037.352502	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+Cl"	34.969402
"1287161"	369.097102	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Cl"	34.969402
"30570"	705.204006	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M-2H+K"	36.948606
"471269"	1039.331706	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M-2H+K"	36.948606
"847080"	371.076306	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-2H+K"	36.948606
"1569842"	371.076306	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+K-2H"	36.948606
"956993"	379.125894	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-H+HCOOH"	44.998194
"370110"	713.253601	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+HCOOH-H"	44.998201
"357274"	727.269251	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+Hac-H"	59.013851
"1501731"	393.141551	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Hac-H"	59.013851
"965995"	401.107851	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-H+NaCOOH"	66.980151
"120370"	369.097102	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+2Cl"	69.938804
"561024"	536.160952	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+2Cl"	69.938804
"1033832"	202.033252	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2Cl"	69.938804
"1254872"	413.046585	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Br"	78.918885
"1317684"	415.102572	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Cl+HCOOH"	80.974872
"1335468"	437.084529	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Cl+NaCOOH"	102.956829
"927035"	447.113286	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M-H+CF3COOH"	112.985586
"1303551"	483.089964	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Cl+CF3COOH"	148.962264
"1381467"	299.115024	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H-2H2O"	-35.012676
"1392765"	317.125	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H-H2O"	-17.0027
"291355"	669.262676	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+H"	1.007276
"680497"	1003.390376	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+H"	1.007276
"1353198"	335.134976	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H"	1.007276
"131921"	335.134976	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+2H"	2.014552
"580245"	502.198826	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+2H"	2.014552
"1049047"	168.071126	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2H"	2.014552
"217676"	223.759076	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+3H"	3.021828
"654320"	335.134976	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+3H"	3.021828
"1175724"	112.383176	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+3H"	3.021828
"434621"	686.289223	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+NH4"	18.033823
"797802"	1020.416923	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+NH4"	18.033823
"1695228"	352.161523	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+NH4"	18.033823
"336949"	343.6482495	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+H+NH4"	19.041099
"730464"	510.7120995	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+H+NH4"	19.041099
"1484285"	176.5843995	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H+NH4"	19.041099
"405151"	691.244618	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+Na"	22.989218
"759588"	1025.372318	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+Na"	22.989218
"1613153"	357.116918	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Na"	22.989218
"318085"	346.125947	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+H+Na"	23.996494
"708316"	513.189797	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+H+Na"	23.996494
"1462868"	179.062097	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H+Na"	23.996494
"1053925"	119.71049	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2H+Na"	25.00377
"1258888"	367.161186	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+CH3OH+H"	33.033486
"379650"	707.218558	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+K"	38.963158
"740280"	1041.346258	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+K"	38.963158
"1555108"	373.090858	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+K"	38.963158
"310820"	354.112917	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+H+K"	39.970434
"704701"	521.176767	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+H+K"	39.970434
"1461160"	187.049067	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H+K"	39.970434
"247493"	710.289226	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+ACN+H"	42.033826
"1225064"	376.161526	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+ACN+H"	42.033826
"1208095"	188.584401	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+ACN+2H"	43.041102
"198412"	713.22656	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+2Na-H"	44.97116
"633599"	1047.35426	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+2Na-H"	44.97116
"1140384"	379.09886	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2Na-H"	44.97116
"179302"	357.116918	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+2Na"	45.978436
"619955"	524.180768	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+2Na"	45.978436
"1121274"	190.053068	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2Na"	45.978436
"1400788"	127.037804	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H+2Na"	46.985712
"1432904"	381.140446	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H+HCOOH"	47.012746
"224419"	362.14994	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+3H2O+2H"	56.04448
"1515765"	395.19249	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+IsoProp+H"	61.06479
"413264"	365.103888	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+Na+K"	61.952376
"777540"	532.167738	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+Na+K"	61.952376
"1673871"	198.040038	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Na+K"	61.952376
"254924"	732.271168	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+ACN+Na"	64.015768
"1233100"	398.143468	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+ACN+Na"	64.015768
"1720894"	398.166993	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+NH4+HCOOH"	64.039293
"1192448"	134.365118	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+3Na"	68.967654
"1661612"	403.122388	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Na+HCOOH"	68.994688
"164099"	745.17444	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+2K-H"	76.91904
"608405"	1079.30214	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+2K-H"	76.91904
"1098021"	411.04674	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2K-H"	76.91904
"153379"	373.090858	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"2M+2K"	77.926316
"591116"	540.154708	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"3M+2K"	77.926316
"1079275"	206.027008	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2K"	77.926316
"1110660"	413.061292	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2K+H"	78.933592
"1346316"	413.148907	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+DMSO+H"	79.021207
"1009376"	417.188076	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2ACN+H"	83.060376
"1525312"	418.181708	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+IsoProp+Na+H"	84.054008
"991764"	209.097676	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+2ACN+2H"	84.067652
"1597202"	419.096328	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+K+HCOOH"	84.968628
"1425048"	449.127838	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+H+CF3COOH"	115.000138
"1149870"	229.610951	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+3ACN+2H"	125.094202
"1701608"	466.154385	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+NH4+CF3COOH"	132.026685
"1639446"	471.10978	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+Na+CF3COOH"	136.98208
"1572913"	487.08372	"C06681"	"Mitomycin;Mitomycin C"	"C15H18N4O5"	"334.1277"	"M+K+CF3COOH"	152.95602
"809842"	102.0429	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M"	0
"978271"	83.02451	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H2O-H"	-19.01839
"69431"	67.021324	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-3H"	-3.021828
"513363"	101.035624	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-3H"	-3.021828
"890073"	33.007024	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-3H"	-3.021828
"13020"	101.035624	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H"	-2.014552
"442375"	152.057074	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H"	-2.014552
"821269"	50.014174	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H"	-2.014552
"80534"	203.078524	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-H"	-1.007276
"521915"	305.121424	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-H"	-1.007276
"896558"	101.035624	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H"	-1.007276
"47415"	220.105071	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H+NH4"	16.019271
"491839"	322.147971	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H+NH4"	16.019271
"866360"	118.062171	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H+NH4"	16.019271
"43013"	225.060466	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H+Na"	20.974666
"479293"	327.103366	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H+Na"	20.974666
"856000"	123.017566	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H+Na"	20.974666
"1629179"	123.017566	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na-2H"	20.974666
"107531"	119.023963	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-H+Cl"	33.962126
"547457"	170.045413	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-H+Cl"	33.962126
"938421"	68.002513	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+Cl"	33.962126
"281717"	239.055202	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Cl"	34.969402
"674867"	341.098102	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+Cl"	34.969402
"1287633"	137.012302	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl"	34.969402
"26547"	241.034406	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H+K"	36.948606
"469388"	343.077306	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H+K"	36.948606
"843909"	138.991506	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H+K"	36.948606
"1570438"	138.991506	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K-2H"	36.948606
"953092"	147.041094	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+HCOOH"	44.998194
"372407"	249.084001	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+HCOOH-H"	44.998201
"357382"	263.099651	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Hac-H"	59.013851
"1501842"	161.056751	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Hac-H"	59.013851
"966105"	169.023051	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+NaCOOH"	66.980151
"120481"	137.012302	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2Cl"	69.938804
"560769"	188.033752	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2Cl"	69.938804
"1029932"	85.990852	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2Cl"	69.938804
"1253886"	180.961785	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Br"	78.918885
"1317429"	183.017772	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl+HCOOH"	80.974872
"1334923"	204.999729	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl+NaCOOH"	102.956829
"926345"	215.028486	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+CF3COOH"	112.985586
"1300134"	251.005164	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl+CF3COOH"	148.962264
"1380118"	67.030224	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H-2H2O"	-35.012676
"1393968"	85.0402	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H-H2O"	-17.0027
"291465"	205.093076	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H"	1.007276
"678419"	307.135976	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H"	1.007276
"1352943"	103.050176	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H"	1.007276
"129844"	103.050176	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2H"	2.014552
"578169"	154.071626	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2H"	2.014552
"1049157"	52.028726	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2H"	2.014552
"217057"	69.035876	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+3H"	3.021828
"654430"	103.050176	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+3H"	3.021828
"1175834"	35.021576	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+3H"	3.021828
"434731"	222.119623	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+NH4"	18.033823
"798642"	324.162523	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+NH4"	18.033823
"1695338"	120.076723	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+NH4"	18.033823
"334143"	111.5634495	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H+NH4"	19.041099
"733852"	162.5848995	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H+NH4"	19.041099
"1480749"	60.5419995	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+NH4"	19.041099
"400886"	227.075018	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Na"	22.989218
"759698"	329.117918	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+Na"	22.989218
"1609983"	125.032118	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na"	22.989218
"318559"	114.041147	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H+Na"	23.996494
"708791"	165.062597	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H+Na"	23.996494
"1464436"	63.019697	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+Na"	23.996494
"1053305"	42.34889	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2H+Na"	25.00377
"1258631"	135.076386	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+CH3OH+H"	33.033486
"380487"	243.048958	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+K"	38.963158
"740025"	345.091858	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+K"	38.963158
"1555219"	141.006058	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K"	38.963158
"310930"	122.028117	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H+K"	39.970434
"701165"	173.049567	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H+K"	39.970434
"1460746"	71.006667	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+K"	39.970434
"250398"	246.119626	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+ACN+H"	42.033826
"1225561"	144.076726	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+ACN+H"	42.033826
"1205288"	72.542001	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+ACN+2H"	43.041102
"199982"	249.05696	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2Na-H"	44.97116
"639175"	351.09986	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2Na-H"	44.97116
"1141954"	147.01406	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2Na-H"	44.97116
"179413"	125.032118	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2Na"	45.978436
"618972"	176.053568	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2Na"	45.978436
"1123571"	74.010668	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2Na"	45.978436
"1401626"	49.676204	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+2Na"	46.985712
"1433743"	149.055646	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+HCOOH"	47.012746
"224529"	130.06514	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+3H2O+2H"	56.04448
"1516968"	163.10769	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+IsoProp+H"	61.06479
"413374"	133.019088	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Na+K"	61.952376
"777650"	184.040538	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+Na+K"	61.952376
"1673981"	81.997638	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na+K"	61.952376
"253941"	268.101568	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+ACN+Na"	64.015768
"1233210"	166.058668	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+ACN+Na"	64.015768
"1723192"	166.082193	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+NH4+HCOOH"	64.039293
"1187455"	57.003518	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+3Na"	68.967654
"1659535"	171.037588	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na+HCOOH"	68.994688
"164206"	281.00484	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2K-H"	76.91904
"608516"	383.04774	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2K-H"	76.91904
"1098495"	178.96194	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2K-H"	76.91904
"154948"	141.006058	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2K"	77.926316
"592319"	192.027508	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2K"	77.926316
"1079385"	89.984608	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2K"	77.926316
"1112959"	180.976492	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2K+H"	78.933592
"1346426"	181.064107	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+DMSO+H"	79.021207
"1011673"	185.103276	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2ACN+H"	83.060376
"1524450"	186.096908	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+IsoProp+Na+H"	84.054008
"992967"	93.055276	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2ACN+2H"	84.067652
"1597312"	187.011528	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K+HCOOH"	84.968628
"1427345"	217.043038	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+CF3COOH"	115.000138
"1151075"	113.568551	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+3ACN+2H"	125.094202
"1701718"	234.069585	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+NH4+CF3COOH"	132.026685
"1638463"	239.02498	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na+CF3COOH"	136.98208
"1574116"	254.99892	"C06682"	"DL-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K+CF3COOH"	152.95602
"813232"	554.0461	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M"	0
"979110"	535.02771	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-H2O-H"	-19.01839
"73915"	368.356790666667	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M-3H"	-3.021828
"516753"	553.038824	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M-3H"	-3.021828
"891276"	183.674757333333	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-3H"	-3.021828
"13130"	553.038824	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M-2H"	-2.014552
"446132"	830.061874	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M-2H"	-2.014552
"819193"	276.015774	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-2H"	-2.014552
"82832"	1107.084924	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M-H"	-1.007276
"518621"	1661.131024	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M-H"	-1.007276
"895647"	553.038824	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-H"	-1.007276
"48128"	1124.111471	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M-2H+NH4"	16.019271
"488295"	1678.157571	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M-2H+NH4"	16.019271
"867559"	570.065371	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-2H+NH4"	16.019271
"43123"	1129.066866	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M-2H+Na"	20.974666
"479401"	1683.112966	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M-2H+Na"	20.974666
"856110"	575.020766	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-2H+Na"	20.974666
"1624550"	575.020766	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Na-2H"	20.974666
"107276"	571.027163	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M-H+Cl"	33.962126
"547567"	848.050213	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M-H+Cl"	33.962126
"936343"	294.004113	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-H+Cl"	33.962126
"280734"	1143.061602	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+Cl"	34.969402
"674492"	1697.107702	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+Cl"	34.969402
"1286651"	589.015502	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Cl"	34.969402
"24468"	1145.040806	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M-2H+K"	36.948606
"465853"	1699.086906	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M-2H+K"	36.948606
"838551"	590.994706	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-2H+K"	36.948606
"1566413"	590.994706	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+K-2H"	36.948606
"949922"	599.044294	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-H+HCOOH"	44.998194
"373246"	1153.090401	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+HCOOH-H"	44.998201
"357492"	1167.106051	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+Hac-H"	59.013851
"1504138"	613.059951	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Hac-H"	59.013851
"966215"	621.026251	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-H+NaCOOH"	66.980151
"120591"	589.015502	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+2Cl"	69.938804
"561243"	866.038552	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+2Cl"	69.938804
"1031867"	311.992452	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2Cl"	69.938804
"1253996"	632.964985	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Br"	78.918885
"1316445"	635.020972	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Cl+HCOOH"	80.974872
"1334669"	657.002929	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Cl+NaCOOH"	102.956829
"926457"	667.031686	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M-H+CF3COOH"	112.985586
"1302068"	703.008364	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Cl+CF3COOH"	148.962264
"1381323"	519.033424	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H-2H2O"	-35.012676
"1394078"	537.0434	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H-H2O"	-17.0027
"291575"	1109.099476	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+H"	1.007276
"679623"	1663.145576	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+H"	1.007276
"1353419"	555.053376	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H"	1.007276
"127038"	555.053376	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+2H"	2.014552
"580224"	832.076426	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+2H"	2.014552
"1045987"	278.030326	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2H"	2.014552
"213887"	370.371342666667	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+3H"	3.021828
"654540"	555.053376	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+3H"	3.021828
"1172664"	185.689309333333	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+3H"	3.021828
"432655"	1126.126023	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+NH4"	18.033823
"796929"	1680.172123	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+NH4"	18.033823
"1694355"	572.079923	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+NH4"	18.033823
"342634"	563.5666495	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+H+NH4"	19.041099
"730683"	840.5896995	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+H+NH4"	19.041099
"1485594"	286.5435995	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H+NH4"	19.041099
"402088"	1131.081418	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+Na"	22.989218
"757621"	1685.127518	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+Na"	22.989218
"1606812"	577.035318	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Na"	22.989218
"317941"	566.044347	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+H+Na"	23.996494
"708536"	843.067397	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+H+Na"	23.996494
"1462359"	289.021297	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H+Na"	23.996494
"1053415"	193.016623333333	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2H+Na"	25.00377
"1257525"	587.079586	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+CH3OH+H"	33.033486
"377434"	1147.055358	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+K"	38.963158
"740134"	1701.101458	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+K"	38.963158
"1554478"	593.009258	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+K"	38.963158
"309947"	574.031317	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+H+K"	39.970434
"701275"	851.054367	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+H+K"	39.970434
"1460936"	297.008267	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H+K"	39.970434
"249900"	1150.126026	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+ACN+H"	42.033826
"1225162"	596.079926	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+ACN+H"	42.033826
"1203575"	298.543601	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+ACN+2H"	43.041102
"198633"	1153.06336	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+2Na-H"	44.97116
"639284"	1707.10946	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+2Na-H"	44.97116
"1143157"	599.01726	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2Na-H"	44.97116
"179523"	577.035318	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+2Na"	45.978436
"619082"	854.058368	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+2Na"	45.978436
"1126961"	300.012268	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2Na"	45.978436
"1403924"	200.343937333333	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H+2Na"	46.985712
"1433853"	601.058846	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H+HCOOH"	47.012746
"224640"	582.06834	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+3H2O+2H"	56.04448
"1513798"	615.11089	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+IsoProp+H"	61.06479
"411297"	585.022288	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+Na+K"	61.952376
"776667"	862.045338	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+Na+K"	61.952376
"1670811"	307.999238	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Na+K"	61.952376
"254051"	1172.107968	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+ACN+Na"	64.015768
"1232227"	618.061868	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+ACN+Na"	64.015768
"1722209"	618.085393	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+NH4+HCOOH"	64.039293
"1184282"	207.671251333333	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+3Na"	68.967654
"1656362"	623.040788	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Na+HCOOH"	68.994688
"163224"	1185.01124	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+2K-H"	76.91904
"609719"	1739.05734	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+2K-H"	76.91904
"1097512"	630.96514	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2K-H"	76.91904
"154329"	593.009258	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"2M+2K"	77.926316
"591701"	870.032308	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"3M+2K"	77.926316
"1080224"	315.986208	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2K"	77.926316
"1113436"	632.979692	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2K+H"	78.933592
"1347267"	633.067307	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+DMSO+H"	79.021207
"1015794"	637.106476	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2ACN+H"	83.060376
"1525170"	638.100108	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+IsoProp+Na+H"	84.054008
"995264"	319.056876	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+2ACN+2H"	84.067652
"1598516"	639.014728	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+K+HCOOH"	84.968628
"1428185"	669.046238	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+H+CF3COOH"	115.000138
"1151184"	339.570151	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+3ACN+2H"	125.094202
"1701828"	686.072785	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+NH4+CF3COOH"	132.026685
"1641853"	691.02818	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+Na+CF3COOH"	136.98208
"1572038"	707.00212	"C06683"	"Ceftriaxone"	"C18H18N8O7S3"	"554.0461"	"M+K+CF3COOH"	152.95602
"815288"	1110.6312	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M"	0
"982500"	1091.61281	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-H2O-H"	-19.01839
"75119"	739.413524	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M-3H"	-3.021828
"516864"	1109.623924	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M-3H"	-3.021828
"891387"	369.203124	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-3H"	-3.021828
"12147"	1109.623924	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M-2H"	-2.014552
"446242"	1664.939524	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M-2H"	-2.014552
"820032"	554.308324	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-2H"	-2.014552
"82942"	2220.255124	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M-H"	-1.007276
"519341"	3330.886324	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M-H"	-1.007276
"896537"	1109.623924	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-H"	-1.007276
"50308"	2237.281671	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M-2H+NH4"	16.019271
"489014"	3347.912871	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M-2H+NH4"	16.019271
"866576"	1126.650471	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-2H+NH4"	16.019271
"43233"	2242.237066	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M-2H+Na"	20.974666
"484739"	3352.868266	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M-2H+Na"	20.974666
"862783"	1131.605866	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-2H+Na"	20.974666
"1633167"	1131.605866	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Na-2H"	20.974666
"109580"	1127.612263	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M-H+Cl"	33.962126
"548165"	1682.927863	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M-H+Cl"	33.962126
"942412"	572.296663	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-H+Cl"	33.962126
"282185"	2256.231802	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+Cl"	34.969402
"673873"	3366.863002	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+Cl"	34.969402
"1288333"	1145.600602	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Cl"	34.969402
"29560"	2258.211006	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M-2H+K"	36.948606
"467054"	3368.842206	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M-2H+K"	36.948606
"844129"	1147.579806	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-2H+K"	36.948606
"1566523"	1147.579806	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+K-2H"	36.948606
"955137"	1155.629394	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-H+HCOOH"	44.998194
"369343"	2266.260601	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+HCOOH-H"	44.998201
"351039"	2280.276251	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+Hac-H"	59.013851
"1506071"	1169.645051	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Hac-H"	59.013851
"972763"	1177.611351	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-H+NaCOOH"	66.980151
"123614"	1145.600602	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+2Cl"	69.938804
"564269"	1700.916202	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+2Cl"	69.938804
"1036934"	590.285002	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2Cl"	69.938804
"1256945"	1189.550085	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Br"	78.918885
"1319515"	1191.606072	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Cl+HCOOH"	80.974872
"1335476"	1213.588029	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Cl+NaCOOH"	102.956829
"926917"	1223.616786	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M-H+CF3COOH"	112.985586
"1302422"	1259.593464	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Cl+CF3COOH"	148.962264
"1381679"	1075.618524	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H-2H2O"	-35.012676
"1395646"	1093.6285	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H-H2O"	-17.0027
"290592"	2222.269676	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+H"	1.007276
"677543"	3332.900876	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+H"	1.007276
"1352921"	1111.638476	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H"	1.007276
"127145"	1111.638476	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+2H"	2.014552
"575824"	1666.954076	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+2H"	2.014552
"1050471"	556.322876	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2H"	2.014552
"216185"	741.428076	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+3H"	3.021828
"654650"	1111.638476	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+3H"	3.021828
"1172774"	371.217676	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+3H"	3.021828
"436044"	2239.296223	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+NH4"	18.033823
"794852"	3349.927423	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+NH4"	18.033823
"1695924"	1128.665023	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+NH4"	18.033823
"343836"	1120.1517495	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+H+NH4"	19.041099
"731886"	1675.4673495	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+H+NH4"	19.041099
"1485704"	564.8361495	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H+NH4"	19.041099
"405478"	2244.251618	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+Na"	22.989218
"758819"	3354.882818	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+Na"	22.989218
"1609108"	1133.620418	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Na"	22.989218
"317320"	1122.629447	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+H+Na"	23.996494
"713758"	1677.945047	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+H+Na"	23.996494
"1469763"	567.313847	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H+Na"	23.996494
"1054624"	378.54499	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2H+Na"	25.00377
"1262500"	1143.664686	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+CH3OH+H"	33.033486
"379252"	2260.225558	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+K"	38.963158
"742067"	3370.856758	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+K"	38.963158
"1555367"	1149.594358	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+K"	38.963158
"314116"	1130.616417	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+H+K"	39.970434
"702478"	1685.932017	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+H+K"	39.970434
"1460927"	575.300817	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H+K"	39.970434
"249404"	2263.296226	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+ACN+H"	42.033826
"1223813"	1152.665026	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+ACN+H"	42.033826
"1206967"	576.836151	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+ACN+2H"	43.041102
"199472"	2266.23356	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+2Na-H"	44.97116
"641950"	3376.86476	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+2Na-H"	44.97116
"1144605"	1155.60236	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2Na-H"	44.97116
"184007"	1133.620418	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+2Na"	45.978436
"627578"	1688.936018	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+2Na"	45.978436
"1130353"	578.304818	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2Na"	45.978436
"1402212"	385.872304	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H+2Na"	46.985712
"1438338"	1157.643946	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H+HCOOH"	47.012746
"225845"	1138.65344	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+3H2O+2H"	56.04448
"1521565"	1171.69599	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+IsoProp+H"	61.06479
"419062"	1141.607388	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+Na+K"	61.952376
"774590"	1696.922988	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+Na+K"	61.952376
"1670921"	586.291788	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Na+K"	61.952376
"255254"	2285.278168	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+ACN+Na"	64.015768
"1235617"	1174.646968	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+ACN+Na"	64.015768
"1723412"	1174.670493	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+NH4+HCOOH"	64.039293
"1187672"	393.199618	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+3Na"	68.967654
"1659752"	1179.625888	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Na+HCOOH"	68.994688
"164427"	2298.18144	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+2K-H"	76.91904
"612143"	3408.81264	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+2K-H"	76.91904
"1096533"	1187.55024	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2K-H"	76.91904
"154442"	1149.594358	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"2M+2K"	77.926316
"595458"	1704.909958	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"3M+2K"	77.926316
"1082522"	594.278758	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2K"	77.926316
"1113546"	1189.564792	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2K+H"	78.933592
"1348471"	1189.652407	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+DMSO+H"	79.021207
"1017728"	1193.691576	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2ACN+H"	83.060376
"1534031"	1194.685208	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+IsoProp+Na+H"	84.054008
"1003395"	597.349426	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+2ACN+2H"	84.067652
"1601179"	1195.599828	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+K+HCOOH"	84.968628
"1428658"	1225.631338	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+H+CF3COOH"	115.000138
"1156762"	617.862701	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+3ACN+2H"	125.094202
"1701938"	1242.657885	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+NH4+CF3COOH"	132.026685
"1643056"	1247.61328	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+Na+CF3COOH"	136.98208
"1574336"	1263.58722	"C06684"	"Valinomycin"	"C54H90N6O18"	"1110.6312"	"M+K+CF3COOH"	152.95602
"814546"	281.1627	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M"	0
"980424"	262.14431	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-H2O-H"	-19.01839
"70855"	186.434524	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M-3H"	-3.021828
"516975"	280.155424	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M-3H"	-3.021828
"891494"	92.713624	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-3H"	-3.021828
"8977"	280.155424	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M-2H"	-2.014552
"443072"	420.736774	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M-2H"	-2.014552
"818805"	139.574074	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-2H"	-2.014552
"86332"	561.318124	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M-H"	-1.007276
"518797"	842.480824	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M-H"	-1.007276
"898229"	280.155424	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-H"	-1.007276
"48836"	578.344671	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M-2H+NH4"	16.019271
"487907"	859.507371	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M-2H+NH4"	16.019271
"866686"	297.181971	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-2H+NH4"	16.019271
"43343"	583.300066	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M-2H+Na"	20.974666
"484970"	864.462766	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M-2H+Na"	20.974666
"863706"	302.137366	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-2H+Na"	20.974666
"1633725"	302.137366	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Na-2H"	20.974666
"108476"	298.143763	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M-H+Cl"	33.962126
"548762"	438.725113	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M-H+Cl"	33.962126
"941670"	157.562413	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-H+Cl"	33.962126
"281809"	597.294802	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+Cl"	34.969402
"674468"	878.457502	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+Cl"	34.969402
"1287852"	316.132102	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Cl"	34.969402
"30279"	599.274006	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M-2H+K"	36.948606
"467528"	880.436706	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M-2H+K"	36.948606
"846062"	318.111306	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-2H+K"	36.948606
"1568820"	318.111306	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+K-2H"	36.948606
"955975"	326.160894	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-H+HCOOH"	44.998194
"365080"	607.323601	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+HCOOH-H"	44.998201
"350056"	621.339251	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+Hac-H"	59.013851
"1505452"	340.176551	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Hac-H"	59.013851
"970442"	348.142851	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-H+NaCOOH"	66.980151
"124088"	316.132102	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+2Cl"	69.938804
"563651"	456.713452	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+2Cl"	69.938804
"1036101"	175.550752	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2Cl"	69.938804
"1256042"	360.081585	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Br"	78.918885
"1319344"	362.137572	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Cl+HCOOH"	80.974872
"1334777"	384.119529	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Cl+NaCOOH"	102.956829
"927044"	394.148286	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M-H+CF3COOH"	112.985586
"1303260"	430.124964	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Cl+CF3COOH"	148.962264
"1381542"	246.150024	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H-2H2O"	-35.012676
"1393934"	264.16	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H-H2O"	-17.0027
"290702"	563.332676	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+H"	1.007276
"677655"	844.495376	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+H"	1.007276
"1354004"	282.169976	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H"	1.007276
"127987"	282.169976	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+2H"	2.014552
"570832"	422.751326	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+2H"	2.014552
"1045114"	141.588626	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2H"	2.014552
"215201"	188.449076	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+3H"	3.021828
"654760"	282.169976	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+3H"	3.021828
"1173977"	94.728176	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+3H"	3.021828
"435061"	580.359223	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+NH4"	18.033823
"794962"	861.521923	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+NH4"	18.033823
"1693483"	299.196523	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+NH4"	18.033823
"341759"	290.6832495	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+H+NH4"	19.041099
"733088"	431.2645995	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+H+NH4"	19.041099
"1485815"	150.1018995	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H+NH4"	19.041099
"402308"	585.314618	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+Na"	22.989218
"758565"	866.477318	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+Na"	22.989218
"1604838"	304.151918	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Na"	22.989218
"317430"	293.160947	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+H+Na"	23.996494
"713868"	433.742297	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+H+Na"	23.996494
"1468780"	152.579597	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H+Na"	23.996494
"1054733"	102.05549	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2H+Na"	25.00377
"1259330"	314.196186	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+CH3OH+H"	33.033486
"378267"	601.288558	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+K"	38.963158
"739256"	882.451258	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+K"	38.963158
"1549703"	320.125858	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+K"	38.963158
"306882"	301.147917	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+H+K"	39.970434
"702588"	441.729267	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+H+K"	39.970434
"1460998"	160.566567	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H+K"	39.970434
"248663"	604.359226	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+ACN+H"	42.033826
"1223923"	323.196526	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+ACN+H"	42.033826
"1208656"	162.101901	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+ACN+2H"	43.041102
"199946"	607.29656	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+2Na-H"	44.97116
"642789"	888.45926	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+2Na-H"	44.97116
"1146769"	326.13386	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2Na-H"	44.97116
"183023"	304.151918	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+2Na"	45.978436
"627689"	444.733268	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+2Na"	45.978436
"1130708"	163.570568	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2Na"	45.978436
"1404144"	109.382804	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H+2Na"	46.985712
"1436261"	328.175446	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H+HCOOH"	47.012746
"227049"	309.18494	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+3H2O+2H"	56.04448
"1521675"	342.22749	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+IsoProp+H"	61.06479
"419172"	312.138888	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+Na+K"	61.952376
"774700"	452.720238	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+Na+K"	61.952376
"1671031"	171.557538	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Na+K"	61.952376
"255728"	626.341168	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+ACN+Na"	64.015768
"1235727"	345.178468	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+ACN+Na"	64.015768
"1724615"	345.201993	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+NH4+HCOOH"	64.039293
"1187782"	116.710118	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+3Na"	68.967654
"1662050"	350.157388	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Na+HCOOH"	68.994688
"164537"	639.24444	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+2K-H"	76.91904
"611037"	920.40714	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+2K-H"	76.91904
"1097736"	358.08174	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2K-H"	76.91904
"155524"	320.125858	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"2M+2K"	77.926316
"594839"	460.707208	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"3M+2K"	77.926316
"1082515"	179.544508	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2K"	77.926316
"1112925"	360.096292	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2K+H"	78.933592
"1347120"	360.183907	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+DMSO+H"	79.021207
"1014191"	364.223076	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2ACN+H"	83.060376
"1534869"	365.216708	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+IsoProp+Na+H"	84.054008
"1002410"	182.615176	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+2ACN+2H"	84.067652
"1600196"	366.131328	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+K+HCOOH"	84.968628
"1428768"	396.162838	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+H+CF3COOH"	115.000138
"1156872"	203.128451	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+3ACN+2H"	125.094202
"1700954"	413.189385	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+NH4+CF3COOH"	132.026685
"1639886"	418.14478	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+Na+CF3COOH"	136.98208
"1574446"	434.11872	"C06685"	"Cycloheximide"	"C15H23NO4"	"281.1627"	"M+K+CF3COOH"	152.95602
"815993"	352.0714	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M"	0
"986001"	333.05301	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-H2O-H"	-19.01839
"76432"	233.706990666667	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M-3H"	-3.021828
"517085"	351.064124	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M-3H"	-3.021828
"891604"	116.349857333333	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-3H"	-3.021828
"10180"	351.064124	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M-2H"	-2.014552
"446462"	527.099824	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M-2H"	-2.014552
"820982"	175.028424	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-2H"	-2.014552
"89722"	703.135524	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M-H"	-1.007276
"524912"	1055.206924	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M-H"	-1.007276
"902713"	351.064124	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-H"	-1.007276
"57088"	720.162071	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M-2H+NH4"	16.019271
"488505"	1072.233471	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M-2H+NH4"	16.019271
"871170"	368.090671	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-2H+NH4"	16.019271
"32877"	725.117466	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M-2H+Na"	20.974666
"486662"	1077.188866	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M-2H+Na"	20.974666
"863733"	373.046066	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-2H+Na"	20.974666
"1632536"	373.046066	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Na-2H"	20.974666
"109838"	369.052463	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M-H+Cl"	33.962126
"549403"	545.088163	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M-H+Cl"	33.962126
"942480"	193.016763	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-H+Cl"	33.962126
"282410"	739.112202	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+Cl"	34.969402
"675434"	1091.183602	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+Cl"	34.969402
"1287792"	387.040802	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Cl"	34.969402
"30876"	741.091406	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M-2H+K"	36.948606
"468368"	1093.162806	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M-2H+K"	36.948606
"847632"	389.020006	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-2H+K"	36.948606
"1570755"	389.020006	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+K-2H"	36.948606
"956816"	397.069594	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-H+HCOOH"	44.998194
"369200"	749.141001	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+HCOOH-H"	44.998201
"356728"	763.156651	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+Hac-H"	59.013851
"1505562"	411.085251	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Hac-H"	59.013851
"972739"	419.051551	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-H+NaCOOH"	66.980151
"124930"	387.040802	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+2Cl"	69.938804
"564735"	563.076502	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+2Cl"	69.938804
"1037021"	211.005102	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2Cl"	69.938804
"1256031"	430.990285	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Br"	78.918885
"1318601"	433.046272	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Cl+HCOOH"	80.974872
"1335428"	455.028229	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Cl+NaCOOH"	102.956829
"926672"	465.056986	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M-H+CF3COOH"	112.985586
"1302763"	501.033664	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Cl+CF3COOH"	148.962264
"1380924"	317.058724	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H-2H2O"	-35.012676
"1393680"	335.0687	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H-H2O"	-17.0027
"289719"	705.150076	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+H"	1.007276
"677765"	1057.221476	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+H"	1.007276
"1354114"	353.078676	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H"	1.007276
"129191"	353.078676	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+2H"	2.014552
"569848"	529.114376	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+2H"	2.014552
"1047410"	177.042976	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2H"	2.014552
"212031"	235.721542666667	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+3H"	3.021828
"656693"	353.078676	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+3H"	3.021828
"1174087"	118.364409333333	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+3H"	3.021828
"432984"	722.176623	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+NH4"	18.033823
"791793"	1074.248023	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+NH4"	18.033823
"1685208"	370.105223	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+NH4"	18.033823
"336403"	361.5919495	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+H+NH4"	19.041099
"734292"	537.6276495	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+H+NH4"	19.041099
"1485925"	185.5562495	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H+NH4"	19.041099
"403512"	727.132018	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+Na"	22.989218
"763414"	1079.203418	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+Na"	22.989218
"1607141"	375.060618	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Na"	22.989218
"317178"	364.069647	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+H+Na"	23.996494
"717258"	540.105347	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+H+Na"	23.996494
"1467797"	188.033947	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H+Na"	23.996494
"1055938"	125.691723333333	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2H+Na"	25.00377
"1260532"	385.104886	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+CH3OH+H"	33.033486
"378376"	743.105958	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+K"	38.963158
"741560"	1095.177358	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+K"	38.963158
"1546533"	391.034558	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+K"	38.963158
"300792"	372.056617	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+H+K"	39.970434
"702697"	548.092317	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+H+K"	39.970434
"1458707"	196.020917	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H+K"	39.970434
"246214"	746.176626	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+ACN+H"	42.033826
"1224031"	394.105226	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+ACN+H"	42.033826
"1208765"	197.556251	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+ACN+2H"	43.041102
"201149"	749.11396	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+2Na-H"	44.97116
"640710"	1101.18536	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+2Na-H"	44.97116
"1146523"	397.04256	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2Na-H"	44.97116
"184226"	375.060618	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+2Na"	45.978436
"625971"	551.096318	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+2Na"	45.978436
"1128385"	199.024918	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2Na"	45.978436
"1403160"	133.019037333333	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H+2Na"	46.985712
"1441835"	399.084146	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H+HCOOH"	47.012746
"224242"	380.09364	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+3H2O+2H"	56.04448
"1513033"	413.13619	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+IsoProp+H"	61.06479
"410529"	383.047588	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+Na+K"	61.952376
"772253"	559.083288	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+Na+K"	61.952376
"1668223"	207.011888	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Na+K"	61.952376
"256931"	768.158568	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+ACN+Na"	64.015768
"1238024"	416.087168	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+ACN+Na"	64.015768
"1723631"	416.110693	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+NH4+HCOOH"	64.039293
"1188986"	140.346351333333	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+3Na"	68.967654
"1663983"	421.066088	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Na+HCOOH"	68.994688
"162095"	781.06184	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+2K-H"	76.91904
"612245"	1133.13324	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+2K-H"	76.91904
"1099510"	428.99044	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2K-H"	76.91904
"156001"	391.034558	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"2M+2K"	77.926316
"595678"	567.070258	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"3M+2K"	77.926316
"1083112"	214.998858	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2K"	77.926316
"1112305"	431.004992	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2K+H"	78.933592
"1349415"	431.092607	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+DMSO+H"	79.021207
"1019770"	435.131776	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2ACN+H"	83.060376
"1537165"	436.125408	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+IsoProp+Na+H"	84.054008
"1001061"	218.069526	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+2ACN+2H"	84.067652
"1601764"	437.040028	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+K+HCOOH"	84.968628
"1429122"	467.071538	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+H+CF3COOH"	115.000138
"1156982"	238.582801	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+3ACN+2H"	125.094202
"1701064"	484.098085	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+NH4+CF3COOH"	132.026685
"1643276"	489.05348	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+Na+CF3COOH"	136.98208
"1574556"	505.02742	"C06686"	"Griseofulvin"	"C17H17ClO6"	"352.0714"	"M+K+CF3COOH"	152.95602
"813672"	319.1332	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M"	0
"983924"	300.11481	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-H2O-H"	-19.01839
"69981"	211.748190666667	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M-3H"	-3.021828
"510633"	318.125924	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M-3H"	-3.021828
"888434"	105.370457333333	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-3H"	-3.021828
"2637"	318.125924	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M-2H"	-2.014552
"446570"	477.692524	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M-2H"	-2.014552
"824371"	158.559324	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-2H"	-2.014552
"83271"	637.259124	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M-H"	-1.007276
"523927"	956.392324	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M-H"	-1.007276
"897355"	318.125924	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-H"	-1.007276
"51729"	654.285671	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M-2H+NH4"	16.019271
"488006"	973.418871	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M-2H+NH4"	16.019271
"871280"	335.152471	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-2H+NH4"	16.019271
"32134"	659.241066	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M-2H+Na"	20.974666
"473274"	978.374266	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M-2H+Na"	20.974666
"863481"	340.107866	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-2H+Na"	20.974666
"1634132"	340.107866	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Na-2H"	20.974666
"109661"	336.114263	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M-H+Cl"	33.962126
"549592"	495.680863	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M-H+Cl"	33.962126
"942259"	176.547663	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-H+Cl"	33.962126
"282719"	673.235802	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+Cl"	34.969402
"675055"	992.369002	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+Cl"	34.969402
"1287574"	354.102602	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Cl"	34.969402
"28917"	675.215006	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M-2H+K"	36.948606
"468114"	994.348206	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M-2H+K"	36.948606
"845918"	356.081806	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-2H+K"	36.948606
"1570865"	356.081806	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+K-2H"	36.948606
"957291"	364.131394	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-H+HCOOH"	44.998194
"366394"	683.264601	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+HCOOH-H"	44.998201
"353556"	697.280251	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+Hac-H"	59.013851
"1502391"	378.147051	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Hac-H"	59.013851
"967745"	386.113351	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-H+NaCOOH"	66.980151
"125162"	354.102602	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+2Cl"	69.938804
"565494"	513.669202	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+2Cl"	69.938804
"1036996"	194.536002	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2Cl"	69.938804
"1256628"	398.052085	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Br"	78.918885
"1318346"	400.108072	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Cl+HCOOH"	80.974872
"1335361"	422.090029	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Cl+NaCOOH"	102.956829
"926781"	432.118786	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M-H+CF3COOH"	112.985586
"1302144"	468.095464	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Cl+CF3COOH"	148.962264
"1377751"	284.120524	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H-2H2O"	-35.012676
"1387956"	302.1305	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H-H2O"	-17.0027
"288735"	639.273676	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+H"	1.007276
"684436"	958.406876	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+H"	1.007276
"1354224"	320.140476	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H"	1.007276
"128206"	320.140476	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+2H"	2.014552
"576156"	479.707076	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+2H"	2.014552
"1048613"	160.573876	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2H"	2.014552
"213234"	213.762742666667	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+3H"	3.021828
"656074"	320.140476	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+3H"	3.021828
"1176021"	107.385009333333	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+3H"	3.021828
"432002"	656.300223	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+NH4"	18.033823
"791538"	975.433423	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+NH4"	18.033823
"1686047"	337.167023	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+NH4"	18.033823
"336513"	328.6537495	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+H+NH4"	19.041099
"728570"	488.2203495	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+H+NH4"	19.041099
"1486035"	169.0871495	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H+NH4"	19.041099
"401436"	661.255618	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+Na"	22.989218
"760244"	980.388818	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+Na"	22.989218
"1607251"	342.122418	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Na"	22.989218
"319476"	331.131447	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+H+Na"	23.996494
"718462"	490.698047	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+H+Na"	23.996494
"1467907"	171.564847	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H+Na"	23.996494
"1055684"	114.712323333333	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2H+Na"	25.00377
"1260643"	352.166686	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+CH3OH+H"	33.033486
"378362"	677.229558	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+K"	38.963158
"739117"	996.362758	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+K"	38.963158
"1540445"	358.096358	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+K"	38.963158
"299930"	339.118417	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+H+K"	39.970434
"705358"	498.685017	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+H+K"	39.970434
"1456629"	179.551817	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H+K"	39.970434
"245231"	680.300226	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+ACN+H"	42.033826
"1223778"	361.167026	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+ACN+H"	42.033826
"1208267"	181.087151	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+ACN+2H"	43.041102
"201259"	683.23756	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+2Na-H"	44.97116
"637540"	1002.37076	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+2Na-H"	44.97116
"1145297"	364.10436	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2Na-H"	44.97116
"187493"	342.122418	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+2Na"	45.978436
"626932"	501.689018	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+2Na"	45.978436
"1130077"	182.555818	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2Na"	45.978436
"1402541"	122.039637333333	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H+2Na"	46.985712
"1444132"	366.145946	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H+HCOOH"	47.012746
"223988"	347.15544	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+3H2O+2H"	56.04448
"1513143"	380.19799	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+IsoProp+H"	61.06479
"409061"	350.109388	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+Na+K"	61.952376
"773823"	509.675988	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+Na+K"	61.952376
"1667237"	190.542788	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Na+K"	61.952376
"257041"	702.282168	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+ACN+Na"	64.015768
"1234853"	383.148968	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+ACN+Na"	64.015768
"1720461"	383.172493	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+NH4+HCOOH"	64.039293
"1190189"	129.366951333333	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+3Na"	68.967654
"1658989"	388.127888	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Na+HCOOH"	68.994688
"162569"	715.18544	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+2K-H"	76.91904
"609430"	1034.31864	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+2K-H"	76.91904
"1099536"	396.05224	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2K-H"	76.91904
"156555"	358.096358	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"2M+2K"	77.926316
"593598"	517.662958	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"3M+2K"	77.926316
"1083217"	198.529758	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2K"	77.926316
"1114844"	398.066792	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2K+H"	78.933592
"1344786"	398.154407	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+DMSO+H"	79.021207
"1015503"	402.193576	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2ACN+H"	83.060376
"1531441"	403.187208	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+IsoProp+Na+H"	84.054008
"1000075"	201.600426	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+2ACN+2H"	84.067652
"1597859"	404.101828	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+K+HCOOH"	84.968628
"1427528"	434.133338	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+H+CF3COOH"	115.000138
"1157092"	222.113701	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+3ACN+2H"	125.094202
"1701175"	451.159885	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+NH4+CF3COOH"	132.026685
"1642293"	456.11528	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+Na+CF3COOH"	136.98208
"1573937"	472.08922	"C06687"	"Norfloxacin"	"C16H18FN3O3"	"319.1332"	"M+K+CF3COOH"	152.95602
"813782"	822.4051	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M"	0
"984034"	803.38671	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-H2O-H"	-19.01839
"67904"	547.262790666667	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M-3H"	-3.021828
"510743"	821.397824	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M-3H"	-3.021828
"888544"	273.127757333333	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-3H"	-3.021828
"2747"	821.397824	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M-2H"	-2.014552
"446680"	1232.600374	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M-2H"	-2.014552
"821565"	410.195274	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-2H"	-2.014552
"83381"	1643.802924	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M-H"	-1.007276
"524037"	2466.208024	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M-H"	-1.007276
"898193"	821.397824	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-H"	-1.007276
"50746"	1660.829471	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M-2H+NH4"	16.019271
"487874"	2483.234571	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M-2H+NH4"	16.019271
"871390"	838.424371	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-2H+NH4"	16.019271
"31714"	1665.784866	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M-2H+Na"	20.974666
"472290"	2488.189966	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M-2H+Na"	20.974666
"863107"	843.379766	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-2H+Na"	20.974666
"1631420"	843.379766	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Na-2H"	20.974666
"109043"	839.386163	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M-H+Cl"	33.962126
"549215"	1250.588713	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M-H+Cl"	33.962126
"942681"	428.183613	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-H+Cl"	33.962126
"282462"	1679.779602	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+Cl"	34.969402
"674191"	2502.184702	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+Cl"	34.969402
"1286470"	857.374502	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Cl"	34.969402
"28298"	1681.758806	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M-2H+K"	36.948606
"467495"	2504.163906	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M-2H+K"	36.948606
"846028"	859.353706	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-2H+K"	36.948606
"1569517"	859.353706	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+K-2H"	36.948606
"956672"	867.403294	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-H+HCOOH"	44.998194
"367597"	1689.808401	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+HCOOH-H"	44.998201
"352572"	1703.824051	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+Hac-H"	59.013851
"1502136"	881.418951	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Hac-H"	59.013851
"968220"	889.385251	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-H+NaCOOH"	66.980151
"124908"	857.374502	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+2Cl"	69.938804
"565602"	1268.577052	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+2Cl"	69.938804
"1037049"	446.171952	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2Cl"	69.938804
"1256901"	901.323985	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Br"	78.918885
"1319809"	903.379972	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Cl+HCOOH"	80.974872
"1335507"	925.361929	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Cl+NaCOOH"	102.956829
"925182"	935.390686	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M-H+CF3COOH"	112.985586
"1298972"	971.367364	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Cl+CF3COOH"	148.962264
"1371663"	787.392424	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H-2H2O"	-35.012676
"1387335"	805.4024	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H-H2O"	-17.0027
"286658"	1645.817476	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+H"	1.007276
"683453"	2468.222576	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+H"	1.007276
"1356521"	823.412376	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H"	1.007276
"128316"	823.412376	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+2H"	2.014552
"571161"	1234.614926	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+2H"	2.014552
"1050788"	412.209826	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2H"	2.014552
"217596"	549.277342666667	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+3H"	3.021828
"656182"	823.412376	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+3H"	3.021828
"1176252"	275.142309333333	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+3H"	3.021828
"433204"	1662.844023	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+NH4"	18.033823
"791284"	2485.249123	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+NH4"	18.033823
"1687250"	840.438923	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+NH4"	18.033823
"335164"	831.9256495	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+H+NH4"	19.041099
"730502"	1243.1281995	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+H+NH4"	19.041099
"1487238"	420.7230995	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H+NH4"	19.041099
"402639"	1667.799418	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+Na"	22.989218
"761447"	2490.204518	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+Na"	22.989218
"1607361"	845.394318	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Na"	22.989218
"318491"	834.403347	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+H+Na"	23.996494
"713103"	1245.605897	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+H+Na"	23.996494
"1464736"	423.200797	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H+Na"	23.996494
"1056887"	282.469623333333	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2H+Na"	25.00377
"1258197"	855.438586	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+CH3OH+H"	33.033486
"378957"	1683.773358	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+K"	38.963158
"739346"	2506.178458	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+K"	38.963158
"1541646"	861.368258	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+K"	38.963158
"300280"	842.390317	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+H+K"	39.970434
"695251"	1253.592867	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+H+K"	39.970434
"1457832"	431.187767	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H+K"	39.970434
"248258"	1686.844026	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+ACN+H"	42.033826
"1222794"	864.438926	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+ACN+H"	42.033826
"1209107"	432.723101	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+ACN+2H"	43.041102
"201857"	1689.78136	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+2Na-H"	44.97116
"635463"	2512.18646	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+2Na-H"	44.97116
"1144435"	867.37626	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2Na-H"	44.97116
"187727"	845.394318	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+2Na"	45.978436
"627163"	1256.596868	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+2Na"	45.978436
"1130187"	434.191768	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2Na"	45.978436
"1402651"	289.796937333333	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H+2Na"	46.985712
"1442906"	869.417846	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H+HCOOH"	47.012746
"224098"	850.42734	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+3H2O+2H"	56.04448
"1514346"	883.46989	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+IsoProp+H"	61.06479
"409534"	853.381288	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+Na+K"	61.952376
"773933"	1264.583838	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+Na+K"	61.952376
"1666983"	442.178738	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Na+K"	61.952376
"259337"	1708.825968	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+ACN+Na"	64.015768
"1234963"	886.420868	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+ACN+Na"	64.015768
"1719839"	886.444393	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+NH4+HCOOH"	64.039293
"1182643"	297.124251333333	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+3Na"	68.967654
"1657275"	891.399788	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Na+HCOOH"	68.994688
"164866"	1721.72924	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+2K-H"	76.91904
"610269"	2544.13434	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+2K-H"	76.91904
"1099164"	899.32414	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2K-H"	76.91904
"156343"	861.368258	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"2M+2K"	77.926316
"593709"	1272.570808	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"3M+2K"	77.926316
"1081504"	450.165708	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2K"	77.926316
"1113981"	901.338692	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2K+H"	78.933592
"1344532"	901.426307	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+DMSO+H"	79.021207
"1015613"	905.465476	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2ACN+H"	83.060376
"1531551"	906.459108	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+IsoProp+Na+H"	84.054008
"1000185"	453.236376	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+2ACN+2H"	84.067652
"1597969"	907.373728	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+K+HCOOH"	84.968628
"1425816"	937.405238	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+H+CF3COOH"	115.000138
"1157202"	473.749651	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+3ACN+2H"	125.094202
"1701285"	954.431785	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+NH4+CF3COOH"	132.026685
"1642403"	959.38718	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+Na+CF3COOH"	136.98208
"1574776"	975.36112	"C06688"	"Rifampicin;Rifampin"	"C43H58N4O12"	"822.4051"	"M+K+CF3COOH"	152.95602
"813892"	1447.4302	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M"	0
"983051"	1428.41181	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-H2O-H"	-19.01839
"70201"	963.946190666667	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M-3H"	-3.021828
"514133"	1446.422924	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M-3H"	-3.021828
"890841"	481.469457333333	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-3H"	-3.021828
"9417"	1446.422924	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H"	-2.014552
"446790"	2170.138024	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H"	-2.014552
"821311"	722.707824	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H"	-2.014552
"83491"	2893.853124	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M-H"	-1.007276
"521594"	4341.283324	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M-H"	-1.007276
"899032"	1446.422924	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-H"	-1.007276
"50856"	2910.879671	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H+NH4"	16.019271
"488347"	4358.309871	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H+NH4"	16.019271
"871500"	1463.449471	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H+NH4"	16.019271
"38307"	2915.835066	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H+Na"	20.974666
"476774"	4363.265266	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H+Na"	20.974666
"863218"	1468.404866	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H+Na"	20.974666
"1633112"	1468.404866	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na-2H"	20.974666
"109397"	1464.411263	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M-H+Cl"	33.962126
"548962"	2188.126363	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M-H+Cl"	33.962126
"941389"	740.696163	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+Cl"	33.962126
"281887"	2929.829802	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Cl"	34.969402
"674548"	4377.260002	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+Cl"	34.969402
"1285849"	1482.399602	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl"	34.969402
"29501"	2931.809006	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H+K"	36.948606
"467970"	4379.239206	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H+K"	36.948606
"848083"	1484.378806	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H+K"	36.948606
"1568900"	1484.378806	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+K-2H"	36.948606
"956783"	1492.428394	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+HCOOH"	44.998194
"369894"	2939.858601	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+HCOOH-H"	44.998201
"354869"	2953.874251	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Hac-H"	59.013851
"1502976"	1506.444051	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Hac-H"	59.013851
"970882"	1514.410351	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+NaCOOH"	66.980151
"125015"	1482.399602	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2Cl"	69.938804
"565355"	2206.114702	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2Cl"	69.938804
"1037045"	758.684502	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2Cl"	69.938804
"1256484"	1526.349085	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Br"	78.918885
"1319767"	1528.405072	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl+HCOOH"	80.974872
"1335208"	1550.387029	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl+NaCOOH"	102.956829
"922374"	1560.415786	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+CF3COOH"	112.985586
"1301269"	1596.392464	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl+CF3COOH"	148.962264
"1375054"	1412.417524	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H-2H2O"	-35.012676
"1390362"	1430.4275	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H-H2O"	-17.0027
"287862"	2895.867676	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H"	1.007276
"683563"	4343.297876	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H"	1.007276
"1359911"	1448.437476	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H"	1.007276
"129885"	1448.437476	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2H"	2.014552
"574553"	2172.152576	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2H"	2.014552
"1052116"	724.722376	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2H"	2.014552
"218556"	965.960742666667	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+3H"	3.021828
"658238"	1448.437476	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+3H"	3.021828
"1177335"	483.484009333333	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+3H"	3.021828
"435500"	2912.894223	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+NH4"	18.033823
"793215"	4360.324423	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+NH4"	18.033823
"1690641"	1465.464023	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+NH4"	18.033823
"340013"	1456.9507495	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H+NH4"	19.041099
"734622"	2180.6658495	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H+NH4"	19.041099
"1490630"	733.2356495	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+NH4"	19.041099
"407368"	2917.849618	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Na"	22.989218
"769579"	4365.279818	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+Na"	22.989218
"1610751"	1470.419418	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na"	22.989218
"322975"	1459.428447	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H+Na"	23.996494
"710295"	2183.143547	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H+Na"	23.996494
"1464845"	735.713347	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+Na"	23.996494
"1056997"	490.811323333333	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2H+Na"	25.00377
"1258309"	1480.463686	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+CH3OH+H"	33.033486
"377976"	2933.823558	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+K"	38.963158
"743711"	4381.253758	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+K"	38.963158
"1541391"	1486.393358	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+K"	38.963158
"300758"	1467.415417	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H+K"	39.970434
"693543"	2191.130517	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H+K"	39.970434
"1457942"	743.700317	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+K"	39.970434
"248737"	2936.894226	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+ACN+H"	42.033826
"1224362"	1489.464026	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+ACN+H"	42.033826
"1206421"	745.235651	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+ACN+2H"	43.041102
"201725"	2939.83156	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2Na-H"	44.97116
"636667"	4387.26176	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2Na-H"	44.97116
"1145888"	1492.40136	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2Na-H"	44.97116
"187962"	1470.419418	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2Na"	45.978436
"626910"	2194.134518	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2Na"	45.978436
"1130786"	746.704318	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2Na"	45.978436
"1402032"	498.138637333333	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+2Na"	46.985712
"1444112"	1494.442946	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+HCOOH"	47.012746
"224208"	1475.45244	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+3H2O+2H"	56.04448
"1513726"	1508.49499	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+IsoProp+H"	61.06479
"413413"	1478.406388	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Na+K"	61.952376
"775135"	2202.121488	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+Na+K"	61.952376
"1672561"	754.691288	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na+K"	61.952376
"260177"	2958.876168	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+ACN+Na"	64.015768
"1235437"	1511.445968	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+ACN+Na"	64.015768
"1719949"	1511.469493	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+NH4+HCOOH"	64.039293
"1185669"	505.465951333333	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+3Na"	68.967654
"1658479"	1516.424888	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na+HCOOH"	68.994688
"164976"	2971.77944	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2K-H"	76.91904
"610014"	4419.20964	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2K-H"	76.91904
"1098539"	1524.34924	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2K-H"	76.91904
"154988"	1486.393358	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2K"	77.926316
"594547"	2210.108458	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2K"	77.926316
"1079787"	762.678258	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2K"	77.926316
"1110444"	1526.363792	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2K+H"	78.933592
"1347922"	1526.451407	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+DMSO+H"	79.021207
"1012443"	1530.490576	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2ACN+H"	83.060376
"1535671"	1531.484208	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+IsoProp+Na+H"	84.054008
"1002847"	765.748926	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+2ACN+2H"	84.067652
"1594799"	1532.398828	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+K+HCOOH"	84.968628
"1427748"	1562.430338	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+CF3COOH"	115.000138
"1157312"	786.262201	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+3ACN+2H"	125.094202
"1701395"	1579.456885	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+NH4+CF3COOH"	132.026685
"1642513"	1584.41228	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na+CF3COOH"	136.98208
"1574886"	1600.38622	"C06689"	"Vancomycin"	"C66H75Cl2N9O24"	"1447.4302"	"M+K+CF3COOH"	152.95602
"814002"	1108.5719	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M"	0
"980974"	1089.55351	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-H2O-H"	-19.01839
"70311"	738.040657333333	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M-3H"	-3.021828
"513150"	1107.564624	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M-3H"	-3.021828
"890951"	368.516690666667	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-3H"	-3.021828
"11350"	1107.564624	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M-2H"	-2.014552
"446900"	1661.850574	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M-2H"	-2.014552
"821421"	553.278674	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-2H"	-2.014552
"83601"	2216.136524	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M-H"	-1.007276
"518902"	3324.708424	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M-H"	-1.007276
"896096"	1107.564624	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-H"	-1.007276
"47677"	2233.163071	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M-2H+NH4"	16.019271
"487598"	3341.734971	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M-2H+NH4"	16.019271
"865775"	1124.591171	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-2H+NH4"	16.019271
"31727"	2238.118466	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M-2H+Na"	20.974666
"476884"	3346.690366	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M-2H+Na"	20.974666
"863687"	1129.546566	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-2H+Na"	20.974666
"1631761"	1129.546566	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Na-2H"	20.974666
"109552"	1125.552963	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M-H+Cl"	33.962126
"549517"	1679.838913	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M-H+Cl"	33.962126
"940527"	571.267013	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-H+Cl"	33.962126
"282236"	2252.113202	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+Cl"	34.969402
"673195"	3360.685102	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+Cl"	34.969402
"1284865"	1143.541302	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Cl"	34.969402
"26332"	2254.092406	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M-2H+K"	36.948606
"463706"	3362.664306	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M-2H+K"	36.948606
"841508"	1145.520506	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-2H+K"	36.948606
"1563903"	1145.520506	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+K-2H"	36.948606
"951786"	1153.570094	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-H+HCOOH"	44.998194
"364536"	2262.142001	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+HCOOH-H"	44.998201
"353886"	2276.157651	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+Hac-H"	59.013851
"1501626"	1167.585751	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Hac-H"	59.013851
"968074"	1175.552051	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-H+NaCOOH"	66.980151
"122452"	1143.541302	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+2Cl"	69.938804
"562013"	1697.827252	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+2Cl"	69.938804
"1036279"	589.255352	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2Cl"	69.938804
"1256911"	1187.490785	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Br"	78.918885
"1318671"	1189.546772	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Cl+HCOOH"	80.974872
"1332519"	1211.528729	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Cl+NaCOOH"	102.956829
"918108"	1221.557486	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M-H+CF3COOH"	112.985586
"1295910"	1257.534164	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Cl+CF3COOH"	148.962264
"1371884"	1073.559224	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H-2H2O"	-35.012676
"1391566"	1091.5692	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H-H2O"	-17.0027
"286879"	2218.151076	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+H"	1.007276
"681486"	3326.722976	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+H"	1.007276
"1357104"	1109.579176	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H"	1.007276
"131087"	1109.579176	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+2H"	2.014552
"568102"	1663.865126	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+2H"	2.014552
"1050036"	555.293226	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2H"	2.014552
"216842"	740.055209333333	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+3H"	3.021828
"659809"	1109.579176	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+3H"	3.021828
"1176714"	370.531242666667	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+3H"	3.021828
"434517"	2235.177623	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+NH4"	18.033823
"795510"	3343.749523	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+NH4"	18.033823
"1690751"	1126.605723	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+NH4"	18.033823
"340123"	1118.0924495	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+H+NH4"	19.041099
"735826"	1672.3783995	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+H+NH4"	19.041099
"1492564"	563.8064995	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H+NH4"	19.041099
"408396"	2240.133018	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+Na"	22.989218
"767133"	3348.704918	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+Na"	22.989218
"1610861"	1131.561118	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Na"	22.989218
"326365"	1120.570147	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+H+Na"	23.996494
"710405"	1674.856097	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+H+Na"	23.996494
"1463863"	566.284197	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H+Na"	23.996494
"1057107"	377.858556666667	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2H+Na"	25.00377
"1258295"	1141.605386	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+CH3OH+H"	33.033486
"378572"	2256.106958	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+K"	38.963158
"741635"	3364.678858	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+K"	38.963158
"1540650"	1147.535058	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+K"	38.963158
"300868"	1128.557117	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+H+K"	39.970434
"694382"	1682.843067	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+H+K"	39.970434
"1458052"	574.271167	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H+K"	39.970434
"249940"	2259.177626	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+ACN+H"	42.033826
"1224108"	1150.605726	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+ACN+H"	42.033826
"1207624"	575.806501	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+ACN+2H"	43.041102
"202442"	2262.11496	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+2Na-H"	44.97116
"640058"	3370.68686	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+2Na-H"	44.97116
"1145875"	1153.54306	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2Na-H"	44.97116
"187951"	1131.561118	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+2Na"	45.978436
"627025"	1685.847068	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+2Na"	45.978436
"1130775"	577.275168	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2Na"	45.978436
"1405058"	385.185870666667	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H+2Na"	46.985712
"1443248"	1155.584646	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H+HCOOH"	47.012746
"223224"	1136.59414	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+3H2O+2H"	56.04448
"1512743"	1169.63669	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+IsoProp+H"	61.06479
"413158"	1139.548088	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+Na+K"	61.952376
"774151"	1693.834038	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+Na+K"	61.952376
"1670484"	585.262138	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Na+K"	61.952376
"259193"	2281.159568	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+ACN+Na"	64.015768
"1232995"	1172.587668	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+ACN+Na"	64.015768
"1720059"	1172.611193	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+NH4+HCOOH"	64.039293
"1185779"	392.513184666667	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+3Na"	68.967654
"1656765"	1177.566588	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Na+HCOOH"	68.994688
"159618"	2294.06284	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+2K-H"	76.91904
"607937"	3402.63474	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+2K-H"	76.91904
"1099015"	1185.49094	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2K-H"	76.91904
"155098"	1147.535058	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"2M+2K"	77.926316
"593199"	1701.821008	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"3M+2K"	77.926316
"1079897"	593.249108	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2K"	77.926316
"1108367"	1187.505492	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2K+H"	78.933592
"1340743"	1187.593107	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+DMSO+H"	79.021207
"1009273"	1191.632276	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2ACN+H"	83.060376
"1534687"	1192.625908	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+IsoProp+Na+H"	84.054008
"1000405"	596.319776	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+2ACN+2H"	84.067652
"1594909"	1193.540528	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+K+HCOOH"	84.968628
"1424942"	1223.572038	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+H+CF3COOH"	115.000138
"1153047"	616.833051	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+3ACN+2H"	125.094202
"1699318"	1240.598585	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+NH4+CF3COOH"	132.026685
"1637156"	1245.55398	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+Na+CF3COOH"	136.98208
"1574996"	1261.52792	"C06690"	"Candicidin D;FR-008-III"	"C59H84N2O18"	"1108.5719"	"M+K+CF3COOH"	152.95602
"814112"	634.1323	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M"	0
"977804"	615.11391	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-H2O-H"	-19.01839
"67141"	421.747590666667	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M-3H"	-3.021828
"513260"	633.125024	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M-3H"	-3.021828
"891061"	210.370157333333	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-3H"	-3.021828
"8544"	633.125024	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M-2H"	-2.014552
"445917"	950.191174	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M-2H"	-2.014552
"821531"	316.058874	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-2H"	-2.014552
"83711"	1267.257324	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M-H"	-1.007276
"518726"	1901.389624	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M-H"	-1.007276
"895839"	633.125024	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-H"	-1.007276
"48155"	1284.283871	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M-2H+NH4"	16.019271
"487384"	1918.416171	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M-2H+NH4"	16.019271
"865884"	650.151571	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-2H+NH4"	16.019271
"32690"	1289.239266	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M-2H+Na"	20.974666
"476994"	1923.371566	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M-2H+Na"	20.974666
"863878"	655.106966	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-2H+Na"	20.974666
"1631992"	655.106966	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Na-2H"	20.974666
"109707"	651.113363	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M-H+Cl"	33.962126
"549836"	968.179513	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M-H+Cl"	33.962126
"941608"	334.047213	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-H+Cl"	33.962126
"282467"	1303.234002	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+Cl"	34.969402
"673547"	1937.366302	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+Cl"	34.969402
"1283882"	669.101702	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Cl"	34.969402
"27535"	1305.213206	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M-2H+K"	36.948606
"464909"	1939.345506	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M-2H+K"	36.948606
"841618"	671.080906	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-2H+K"	36.948606
"1564013"	671.080906	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+K-2H"	36.948606
"952989"	679.130494	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-H+HCOOH"	44.998194
"371206"	1313.262801	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+HCOOH-H"	44.998201
"351809"	1327.278451	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+Hac-H"	59.013851
"1499546"	693.146151	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Hac-H"	59.013851
"969277"	701.112451	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-H+NaCOOH"	66.980151
"117093"	669.101702	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+2Cl"	69.938804
"558843"	986.167852	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+2Cl"	69.938804
"1034202"	352.035552	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2Cl"	69.938804
"1254875"	713.051185	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Br"	78.918885
"1317323"	715.107172	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Cl+HCOOH"	80.974872
"1331536"	737.089129	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Cl+NaCOOH"	102.956829
"918218"	747.117886	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M-H+CF3COOH"	112.985586
"1296020"	783.094564	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Cl+CF3COOH"	148.962264
"1371994"	599.119624	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H-2H2O"	-35.012676
"1392769"	617.1296	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H-H2O"	-17.0027
"288081"	1269.271876	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+H"	1.007276
"679407"	1903.404176	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+H"	1.007276
"1357944"	635.139576	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H"	1.007276
"129740"	635.139576	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+2H"	2.014552
"570398"	952.205726	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+2H"	2.014552
"1047959"	318.073426	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2H"	2.014552
"216952"	423.762142666667	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+3H"	3.021828
"656879"	635.139576	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+3H"	3.021828
"1175730"	212.384709333333	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+3H"	3.021828
"434627"	1286.298423	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+NH4"	18.033823
"792340"	1920.430723	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+NH4"	18.033823
"1690861"	652.166123	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+NH4"	18.033823
"340233"	643.6528495	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+H+NH4"	19.041099
"734843"	960.7189995	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+H+NH4"	19.041099
"1490848"	326.5866995	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H+NH4"	19.041099
"408072"	1291.253818	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+Na"	22.989218
"769430"	1925.386118	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+Na"	22.989218
"1610971"	657.121518	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Na"	22.989218
"326475"	646.130547	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+H+Na"	23.996494
"707599"	963.196697	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+H+Na"	23.996494
"1465066"	329.064397	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H+Na"	23.996494
"1054302"	219.712023333333	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2H+Na"	25.00377
"1257554"	667.165786	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+CH3OH+H"	33.033486
"377670"	1307.227758	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+K"	38.963158
"741016"	1941.360058	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+K"	38.963158
"1541977"	673.095458	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+K"	38.963158
"299881"	654.117517	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+H+K"	39.970434
"694492"	971.183667	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+H+K"	39.970434
"1458162"	337.051367	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H+K"	39.970434
"250900"	1310.298426	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+ACN+H"	42.033826
"1224707"	676.166126	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+ACN+H"	42.033826
"1207734"	338.586701	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+ACN+2H"	43.041102
"202793"	1313.23576	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+2Na-H"	44.97116
"640168"	1947.36806	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+2Na-H"	44.97116
"1146353"	679.10346	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2Na-H"	44.97116
"187825"	657.121518	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+2Na"	45.978436
"627865"	974.187668	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+2Na"	45.978436
"1131131"	340.055368	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2Na"	45.978436
"1408083"	227.039337333333	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H+2Na"	46.985712
"1440199"	681.145046	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H+HCOOH"	47.012746
"225519"	662.15454	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+3H2O+2H"	56.04448
"1514675"	695.19709	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+IsoProp+H"	61.06479
"412174"	665.108488	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+Na+K"	61.952376
"774261"	982.174638	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+Na+K"	61.952376
"1668407"	348.042338	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Na+K"	61.952376
"262583"	1332.280368	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+ACN+Na"	64.015768
"1234198"	698.148068	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+ACN+Na"	64.015768
"1717982"	698.171593	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+NH4+HCOOH"	64.039293
"1185525"	234.366651333333	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+3Na"	68.967654
"1656875"	703.126988	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Na+HCOOH"	68.994688
"158267"	1345.18364	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+2K-H"	76.91904
"608047"	1979.31594	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+2K-H"	76.91904
"1099249"	711.05134	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2K-H"	76.91904
"154479"	673.095458	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"2M+2K"	77.926316
"594037"	990.161608	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"3M+2K"	77.926316
"1080007"	356.029308	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2K"	77.926316
"1108477"	713.065892	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2K+H"	78.933592
"1338665"	713.153507	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+DMSO+H"	79.021207
"1009383"	717.192676	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2ACN+H"	83.060376
"1531881"	718.186308	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+IsoProp+Na+H"	84.054008
"995048"	359.099976	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+2ACN+2H"	84.067652
"1595019"	719.100928	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+K+HCOOH"	84.968628
"1425052"	749.132438	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+H+CF3COOH"	115.000138
"1152064"	379.613251	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+3ACN+2H"	125.094202
"1699428"	766.158985	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+NH4+CF3COOH"	132.026685
"1637266"	771.11438	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+Na+CF3COOH"	136.98208
"1575106"	787.08832	"C06691"	"Actinorhodin;Actinorhodine"	"C32H26O14"	"634.1323"	"M+K+CF3COOH"	152.95602
"816985"	507.1449	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M"	0
"984476"	488.12651	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-H2O-H"	-19.01839
"75999"	337.089324	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M-3H"	-3.021828
"516652"	506.137624	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M-3H"	-3.021828
"888986"	168.041024	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-3H"	-3.021828
"10841"	506.137624	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M-2H"	-2.014552
"446027"	759.710074	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M-2H"	-2.014552
"822006"	252.565174	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-2H"	-2.014552
"83092"	1013.282524	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M-H"	-1.007276
"522288"	1520.427424	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M-H"	-1.007276
"896444"	506.137624	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-H"	-1.007276
"49726"	1030.309071	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M-2H+NH4"	16.019271
"487828"	1537.453971	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M-2H+NH4"	16.019271
"864901"	523.164171	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-2H+NH4"	16.019271
"31739"	1035.264466	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M-2H+Na"	20.974666
"475281"	1542.409366	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M-2H+Na"	20.974666
"851623"	528.119566	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-2H+Na"	20.974666
"1621158"	528.119566	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Na-2H"	20.974666
"109820"	524.125963	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M-H+Cl"	33.962126
"549701"	777.698413	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M-H+Cl"	33.962126
"942768"	270.553513	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-H+Cl"	33.962126
"282619"	1049.259202	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+Cl"	34.969402
"672686"	1556.404102	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+Cl"	34.969402
"1285087"	542.114302	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Cl"	34.969402
"27646"	1051.238406	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M-2H+K"	36.948606
"468299"	1558.383306	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M-2H+K"	36.948606
"843916"	544.093506	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-2H+K"	36.948606
"1569590"	544.093506	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+K-2H"	36.948606
"952006"	552.143094	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-H+HCOOH"	44.998194
"370223"	1059.288001	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+HCOOH-H"	44.998201
"353013"	1073.303651	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+Hac-H"	59.013851
"1500750"	566.158751	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Hac-H"	59.013851
"969384"	574.125051	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-H+NaCOOH"	66.980151
"119389"	542.114302	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+2Cl"	69.938804
"558947"	795.686752	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+2Cl"	69.938804
"1036498"	288.541852	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2Cl"	69.938804
"1254982"	586.063785	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Br"	78.918885
"1314149"	588.119772	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Cl+HCOOH"	80.974872
"1328365"	610.101729	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Cl+NaCOOH"	102.956829
"915048"	620.130486	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M-H+CF3COOH"	112.985586
"1296130"	656.107164	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Cl+CF3COOH"	148.962264
"1372104"	472.132224	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H-2H2O"	-35.012676
"1386319"	490.1422	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H-H2O"	-17.0027
"286003"	1015.297076	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+H"	1.007276
"679879"	1522.441976	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+H"	1.007276
"1356959"	508.152176	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H"	1.007276
"128756"	508.152176	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+2H"	2.014552
"568686"	761.724626	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+2H"	2.014552
"1049162"	254.579726	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2H"	2.014552
"218155"	339.103876	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+3H"	3.021828
"658689"	508.152176	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+3H"	3.021828
"1175840"	170.055576	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+3H"	3.021828
"433644"	1032.323623	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+NH4"	18.033823
"792450"	1539.468523	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+NH4"	18.033823
"1688784"	525.178723	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+NH4"	18.033823
"340343"	516.6654495	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+H+NH4"	19.041099
"734953"	770.2378995	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+H+NH4"	19.041099
"1490959"	263.0929995	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H+NH4"	19.041099
"407818"	1037.279018	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+Na"	22.989218
"769298"	1544.423918	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+Na"	22.989218
"1613263"	530.134118	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Na"	22.989218
"327679"	519.143147	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+H+Na"	23.996494
"714632"	772.715597	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+H+Na"	23.996494
"1470639"	265.570697	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H+Na"	23.996494
"1061697"	177.38289	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2H+Na"	25.00377
"1262280"	540.178386	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+CH3OH+H"	33.033486
"383042"	1053.252958	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+K"	38.963158
"741120"	1560.397858	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+K"	38.963158
"1541115"	546.108058	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+K"	38.963158
"301814"	527.130117	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+H+K"	39.970434
"692778"	780.702567	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+H+K"	39.970434
"1461239"	273.557667	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H+K"	39.970434
"251370"	1056.323626	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+ACN+H"	42.033826
"1224813"	549.178726	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+ACN+H"	42.033826
"1209304"	275.093001	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+ACN+2H"	43.041102
"204247"	1059.26096	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+2Na-H"	44.97116
"643924"	1566.40586	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+2Na-H"	44.97116
"1146886"	552.11606	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2Na-H"	44.97116
"188457"	530.134118	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+2Na"	45.978436
"627980"	783.706568	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+2Na"	45.978436
"1131229"	276.561668	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2Na"	45.978436
"1409287"	184.710204	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H+2Na"	46.985712
"1443225"	554.157646	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H+HCOOH"	47.012746
"227818"	535.16714	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+3H2O+2H"	56.04448
"1514785"	568.20969	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+IsoProp+H"	61.06479
"412649"	538.121088	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+Na+K"	61.952376
"777652"	791.693538	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+Na+K"	61.952376
"1669610"	284.548638	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Na+K"	61.952376
"262693"	1078.305568	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+ACN+Na"	64.015768
"1234308"	571.160668	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+ACN+Na"	64.015768
"1718092"	571.184193	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+NH4+HCOOH"	64.039293
"1188552"	192.037518	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+3Na"	68.967654
"1658444"	576.139588	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Na+HCOOH"	68.994688
"159838"	1091.20884	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+2K-H"	76.91904
"609250"	1598.35374	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+2K-H"	76.91904
"1099358"	584.06394	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2K-H"	76.91904
"154953"	546.108058	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"2M+2K"	77.926316
"591232"	799.680508	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"3M+2K"	77.926316
"1081211"	292.535608	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2K"	77.926316
"1108951"	586.078492	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2K+H"	78.933592
"1339139"	586.166107	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+DMSO+H"	79.021207
"1009493"	590.205276	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2ACN+H"	83.060376
"1531991"	591.198908	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+IsoProp+Na+H"	84.054008
"994064"	295.606276	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+2ACN+2H"	84.067652
"1595129"	592.113528	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+K+HCOOH"	84.968628
"1427349"	622.145038	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+H+CF3COOH"	115.000138
"1152174"	316.119551	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+3ACN+2H"	125.094202
"1699538"	639.171585	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+NH4+CF3COOH"	132.026685
"1635189"	644.12698	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+Na+CF3COOH"	136.98208
"1575216"	660.10092	"C06692"	"Polyoxin B"	"C17H25N5O13"	"507.1449"	"M+K+CF3COOH"	152.95602
"804489"	670.4292	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M"	0
"980210"	651.41081	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-H2O-H"	-19.01839
"76836"	445.945524	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M-3H"	-3.021828
"510201"	669.421924	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M-3H"	-3.021828
"890188"	222.469124	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-3H"	-3.021828
"8762"	669.421924	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M-2H"	-2.014552
"440092"	1004.636524	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M-2H"	-2.014552
"817154"	334.207324	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-2H"	-2.014552
"79310"	1339.851124	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M-H"	-1.007276
"521306"	2010.280324	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M-H"	-1.007276
"895722"	669.421924	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-H"	-1.007276
"49108"	1356.877671	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M-2H+NH4"	16.019271
"487196"	2027.306871	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M-2H+NH4"	16.019271
"864349"	686.448471	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-2H+NH4"	16.019271
"31567"	1361.833066	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M-2H+Na"	20.974666
"471904"	2032.262266	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M-2H+Na"	20.974666
"849547"	691.403866	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-2H+Na"	20.974666
"1620173"	691.403866	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Na-2H"	20.974666
"107653"	687.410263	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M-H+Cl"	33.962126
"548995"	1022.624863	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M-H+Cl"	33.962126
"942734"	352.195663	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-H+Cl"	33.962126
"281469"	1375.827802	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+Cl"	34.969402
"670609"	2046.257002	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+Cl"	34.969402
"1285198"	705.398602	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Cl"	34.969402
"27755"	1377.807006	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M-2H+K"	36.948606
"467315"	2048.236206	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M-2H+K"	36.948606
"846214"	707.377806	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-2H+K"	36.948606
"1568606"	707.377806	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+K-2H"	36.948606
"954302"	715.427394	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-H+HCOOH"	44.998194
"370334"	1385.856601	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+HCOOH-H"	44.998201
"354216"	1399.872251	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+Hac-H"	59.013851
"1501953"	729.443051	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Hac-H"	59.013851
"968400"	737.409351	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-H+NaCOOH"	66.980151
"117313"	705.398602	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+2Cl"	69.938804
"559057"	1040.613202	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+2Cl"	69.938804
"1035515"	370.184002	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2Cl"	69.938804
"1255092"	749.348085	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Br"	78.918885
"1313166"	751.404072	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Cl+HCOOH"	80.974872
"1330662"	773.386029	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Cl+NaCOOH"	102.956829
"915158"	783.414786	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M-H+CF3COOH"	112.985586
"1296240"	819.391464	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Cl+CF3COOH"	148.962264
"1375494"	635.416524	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H-2H2O"	-35.012676
"1386429"	653.4265	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H-H2O"	-17.0027
"288301"	1341.865676	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+H"	1.007276
"681812"	2012.294876	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+H"	1.007276
"1357070"	671.436476	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H"	1.007276
"132146"	671.436476	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+2H"	2.014552
"566606"	1006.651076	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+2H"	2.014552
"1045992"	336.221876	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2H"	2.014552
"213893"	447.960076	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+3H"	3.021828
"655637"	671.436476	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+3H"	3.021828
"1173763"	224.483676	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+3H"	3.021828
"430474"	1358.892223	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+NH4"	18.033823
"789644"	2029.321423	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+NH4"	18.033823
"1688894"	688.463023	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+NH4"	18.033823
"342640"	679.9497495	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+H+NH4"	19.041099
"733970"	1015.1643495	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+H+NH4"	19.041099
"1491556"	344.7351495	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H+NH4"	19.041099
"406836"	1363.847618	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+Na"	22.989218
"766370"	2034.276818	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+Na"	22.989218
"1612280"	693.418418	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Na"	22.989218
"326331"	682.427447	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+H+Na"	23.996494
"715836"	1017.642047	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+H+Na"	23.996494
"1471843"	347.212847	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H+Na"	23.996494
"1061807"	231.81099	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2H+Na"	25.00377
"1259110"	703.462686	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+CH3OH+H"	33.033486
"382059"	1379.821558	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+K"	38.963158
"740866"	2050.250758	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+K"	38.963158
"1541833"	709.392358	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+K"	38.963158
"301561"	690.414417	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+H+K"	39.970434
"695807"	1025.629017	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+H+K"	39.970434
"1461107"	355.199817	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H+K"	39.970434
"251130"	1382.892226	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+ACN+H"	42.033826
"1225168"	712.463026	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+ACN+H"	42.033826
"1209294"	356.735151	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+ACN+2H"	43.041102
"204226"	1385.82956	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+2Na-H"	44.97116
"643427"	2056.25876	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+2Na-H"	44.97116
"1147001"	715.40036	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2Na-H"	44.97116
"188553"	693.418418	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+2Na"	45.978436
"628451"	1028.633018	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+2Na"	45.978436
"1131281"	358.203818	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2Na"	45.978436
"1406117"	239.138304	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H+2Na"	46.985712
"1440419"	717.441946	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H+HCOOH"	47.012746
"227928"	698.45144	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+3H2O+2H"	56.04448
"1513802"	731.49399	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+IsoProp+H"	61.06479
"415675"	701.405388	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+Na+K"	61.952376
"776669"	1036.619988	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+Na+K"	61.952376
"1668627"	366.190788	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Na+K"	61.952376
"260617"	1404.874168	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+ACN+Na"	64.015768
"1234419"	734.444968	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+ACN+Na"	64.015768
"1718202"	734.468493	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+NH4+HCOOH"	64.039293
"1187569"	246.465618	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+3Na"	68.967654
"1657461"	739.423888	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Na+HCOOH"	68.994688
"159948"	1417.77744	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+2K-H"	76.91904
"609360"	2088.20664	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+2K-H"	76.91904
"1099908"	747.34824	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2K-H"	76.91904
"155063"	709.392358	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"2M+2K"	77.926316
"592435"	1044.606958	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"3M+2K"	77.926316
"1078770"	374.177758	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2K"	77.926316
"1109791"	749.362792	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2K+H"	78.933592
"1341072"	749.450407	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+DMSO+H"	79.021207
"1012883"	753.489576	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2ACN+H"	83.060376
"1529914"	754.483208	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+IsoProp+Na+H"	84.054008
"996362"	377.248426	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+2ACN+2H"	84.067652
"1595239"	755.397828	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+K+HCOOH"	84.968628
"1427459"	785.429338	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+H+CF3COOH"	115.000138
"1151191"	397.761701	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+3ACN+2H"	125.094202
"1698189"	802.455885	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+NH4+CF3COOH"	132.026685
"1635299"	807.41128	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+Na+CF3COOH"	136.98208
"1575326"	823.38522	"C06693"	"Monensin;Monensin A"	"C36H62O11"	"670.4292"	"M+K+CF3COOH"	152.95602
"803505"	516.3451	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M"	0
"982506"	497.32671	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-H2O-H"	-19.01839
"76216"	343.222790666667	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M-3H"	-3.021828
"509217"	515.337824	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M-3H"	-3.021828
"889204"	171.107757333333	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-3H"	-3.021828
"9965"	515.337824	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M-2H"	-2.014552
"441257"	773.510374	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M-2H"	-2.014552
"817482"	257.165274	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-2H"	-2.014552
"78936"	1031.682924	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M-H"	-1.007276
"519590"	1548.028024	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M-H"	-1.007276
"896542"	515.337824	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-H"	-1.007276
"48124"	1048.709471	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M-2H+NH4"	16.019271
"487428"	1565.054571	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M-2H+NH4"	16.019271
"864868"	532.364371	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-2H+NH4"	16.019271
"32035"	1053.664866	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M-2H+Na"	20.974666
"471974"	1570.009966	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M-2H+Na"	20.974666
"852936"	537.319766	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-2H+Na"	20.974666
"1622469"	537.319766	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Na-2H"	20.974666
"109097"	533.326163	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M-H+Cl"	33.962126
"548777"	791.498713	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M-H+Cl"	33.962126
"940832"	275.153613	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-H+Cl"	33.962126
"280482"	1067.659602	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+Cl"	34.969402
"673511"	1584.004702	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+Cl"	34.969402
"1287861"	551.314502	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Cl"	34.969402
"28957"	1069.638806	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M-2H+K"	36.948606
"469247"	1585.983906	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M-2H+K"	36.948606
"844132"	553.293706	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-2H+K"	36.948606
"1567620"	553.293706	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+K-2H"	36.948606
"956601"	561.343294	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-H+HCOOH"	44.998194
"372630"	1077.688401	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+HCOOH-H"	44.998201
"356512"	1091.704051	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+Hac-H"	59.013851
"1502063"	575.358951	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Hac-H"	59.013851
"970697"	583.325251	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-H+NaCOOH"	66.980151
"112679"	551.314502	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+2Cl"	69.938804
"556980"	809.487052	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+2Cl"	69.938804
"1029060"	293.141952	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2Cl"	69.938804
"1246452"	595.263985	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Br"	78.918885
"1309994"	597.319972	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Cl+HCOOH"	80.974872
"1326397"	619.301929	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Cl+NaCOOH"	102.956829
"914538"	629.330686	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M-H+CF3COOH"	112.985586
"1293070"	665.307364	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Cl+CF3COOH"	148.962264
"1376697"	481.332424	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H-2H2O"	-35.012676
"1389818"	499.3424	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H-H2O"	-17.0027
"288411"	1033.697476	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+H"	1.007276
"683017"	1550.042576	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+H"	1.007276
"1357180"	517.352376	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H"	1.007276
"132255"	517.352376	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+2H"	2.014552
"571085"	775.524926	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+2H"	2.014552
"1049017"	259.179826	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2H"	2.014552
"214002"	345.237342666667	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+3H"	3.021828
"655748"	517.352376	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+3H"	3.021828
"1173875"	173.122309333333	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+3H"	3.021828
"430583"	1050.724023	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+NH4"	18.033823
"787931"	1567.069123	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+NH4"	18.033823
"1690097"	534.378923	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+NH4"	18.033823
"342750"	525.8656495	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+H+NH4"	19.041099
"735173"	784.0381995	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+H+NH4"	19.041099
"1491787"	267.6930995	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H+NH4"	19.041099
"407187"	1055.679418	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+Na"	22.989218
"766479"	1572.024518	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+Na"	22.989218
"1613483"	539.334318	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Na"	22.989218
"320239"	528.343347	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+H+Na"	23.996494
"715946"	786.515897	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+H+Na"	23.996494
"1473046"	270.170797	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H+Na"	23.996494
"1059729"	180.449623333333	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2H+Na"	25.00377
"1258490"	549.378586	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+CH3OH+H"	33.033486
"383262"	1071.653358	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+K"	38.963158
"740976"	1587.998458	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+K"	38.963158
"1541944"	555.308258	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+K"	38.963158
"303494"	536.330317	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+H+K"	39.970434
"697007"	794.502867	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+H+K"	39.970434
"1460931"	278.157767	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H+K"	39.970434
"251320"	1074.724026	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+ACN+H"	42.033826
"1224550"	558.378926	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+ACN+H"	42.033826
"1209652"	279.693101	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+ACN+2H"	43.041102
"203858"	1077.66136	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+2Na-H"	44.97116
"643053"	1594.00646	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+2Na-H"	44.97116
"1146561"	561.31626	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2Na-H"	44.97116
"186201"	539.334318	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+2Na"	45.978436
"627224"	797.506868	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+2Na"	45.978436
"1129636"	281.161768	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2Na"	45.978436
"1406227"	187.776937333333	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H+2Na"	46.985712
"1441989"	563.357846	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H+HCOOH"	47.012746
"230954"	544.36734	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+3H2O+2H"	56.04448
"1517193"	577.40989	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+IsoProp+H"	61.06479
"415785"	547.321288	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+Na+K"	61.952376
"777872"	805.493838	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+Na+K"	61.952376
"1669831"	289.148738	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Na+K"	61.952376
"258541"	1096.705968	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+ACN+Na"	64.015768
"1231250"	580.360868	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+ACN+Na"	64.015768
"1717220"	580.384393	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+NH4+HCOOH"	64.039293
"1183303"	195.104251333333	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+3Na"	68.967654
"1654655"	585.339788	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Na+HCOOH"	68.994688
"157745"	1109.60924	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+2K-H"	76.91904
"610199"	1625.95434	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+2K-H"	76.91904
"1099903"	593.26414	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2K-H"	76.91904
"154080"	555.308258	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"2M+2K"	77.926316
"591452"	813.480808	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"3M+2K"	77.926316
"1079973"	297.135708	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2K"	77.926316
"1110630"	595.278692	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2K+H"	78.933592
"1342275"	595.366307	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+DMSO+H"	79.021207
"1012993"	599.405476	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2ACN+H"	83.060376
"1528930"	600.399108	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+IsoProp+Na+H"	84.054008
"995378"	300.206376	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+2ACN+2H"	84.067652
"1596442"	601.313728	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+K+HCOOH"	84.968628
"1426841"	631.345238	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+H+CF3COOH"	115.000138
"1151301"	320.719651	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+3ACN+2H"	125.094202
"1697935"	648.371785	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+NH4+CF3COOH"	132.026685
"1635409"	653.32718	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+Na+CF3COOH"	136.98208
"1574343"	669.30112	"C06694"	"Fusidic acid"	"C31H48O6"	"516.3451"	"M+K+CF3COOH"	152.95602
"802155"	87.032	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M"	0
"980430"	68.01361	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-H2O-H"	-19.01839
"76327"	57.0140573333333	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M-3H"	-3.021828
"512608"	86.024724	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M-3H"	-3.021828
"894784"	28.0033906666667	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-3H"	-3.021828
"12264"	86.024724	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M-2H"	-2.014552
"444169"	129.540724	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M-2H"	-2.014552
"821971"	42.508724	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-2H"	-2.014552
"81962"	173.056724	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M-H"	-1.007276
"519454"	260.088724	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M-H"	-1.007276
"896894"	86.024724	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-H"	-1.007276
"48355"	190.083271	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M-2H+NH4"	16.019271
"487161"	277.115271	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M-2H+NH4"	16.019271
"864265"	103.051271	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-2H+NH4"	16.019271
"31741"	195.038666	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M-2H+Na"	20.974666
"471835"	282.070666	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M-2H+Na"	20.974666
"851953"	108.006666	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-2H+Na"	20.974666
"1621486"	108.006666	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Na-2H"	20.974666
"104578"	104.013063	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M-H+Cl"	33.962126
"544147"	147.529063	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M-H+Cl"	33.962126
"935473"	60.497063	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-H+Cl"	33.962126
"278404"	209.033402	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+Cl"	34.969402
"664991"	296.065402	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+Cl"	34.969402
"1282136"	122.001402	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Cl"	34.969402
"25787"	211.012606	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M-2H+K"	36.948606
"460972"	298.044606	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M-2H+K"	36.948606
"844242"	123.980606	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-2H+K"	36.948606
"1566636"	123.980606	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+K-2H"	36.948606
"956710"	132.030194	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-H+HCOOH"	44.998194
"370552"	219.062201	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+HCOOH-H"	44.998201
"353342"	233.077851	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+Hac-H"	59.013851
"1501079"	146.045851	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Hac-H"	59.013851
"967527"	154.012151	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-H+NaCOOH"	66.980151
"114248"	122.001402	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+2Cl"	69.938804
"553810"	165.517402	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+2Cl"	69.938804
"1029170"	78.485402	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2Cl"	69.938804
"1246562"	165.950885	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Br"	78.918885
"1313384"	168.006872	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Cl+HCOOH"	80.974872
"1324319"	189.988829	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Cl+NaCOOH"	102.956829
"917564"	200.017586	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M-H+CF3COOH"	112.985586
"1294273"	235.994264	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Cl+CF3COOH"	148.962264
"1374619"	52.019324	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H-2H2O"	-35.012676
"1388835"	70.0293	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H-H2O"	-17.0027
"284511"	175.071276	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+H"	1.007276
"678753"	262.103276	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+H"	1.007276
"1353643"	88.039276	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H"	1.007276
"130179"	88.039276	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+2H"	2.014552
"569008"	131.555276	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+2H"	2.014552
"1044026"	44.523276	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2H"	2.014552
"214114"	59.0286093333333	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+3H"	3.021828
"655857"	88.039276	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+3H"	3.021828
"1173984"	30.0179426666667	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+3H"	3.021828
"432881"	192.097823	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+NH4"	18.033823
"790594"	279.129823	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+NH4"	18.033823
"1690207"	105.065823	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+NH4"	18.033823
"342860"	96.5525495	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+H+NH4"	19.041099
"732005"	140.0685495	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+H+NH4"	19.041099
"1489102"	53.0365495	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H+NH4"	19.041099
"404503"	197.053218	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+Na"	22.989218
"761122"	284.085218	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+Na"	22.989218
"1609220"	110.021218	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Na"	22.989218
"318163"	99.030247	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+H+Na"	23.996494
"710589"	142.546247	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+H+Na"	23.996494
"1468784"	55.514247	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H+Na"	23.996494
"1059841"	37.3452566666667	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2H+Na"	25.00377
"1257545"	120.065486	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+CH3OH+H"	33.033486
"382279"	213.027158	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+K"	38.963158
"741450"	300.059158	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+K"	38.963158
"1543147"	125.995158	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+K"	38.963158
"302510"	107.017217	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+H+K"	39.970434
"698211"	150.533217	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+H+K"	39.970434
"1461290"	63.501217	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H+K"	39.970434
"251307"	216.097826	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+ACN+H"	42.033826
"1224783"	129.065826	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+ACN+H"	42.033826
"1209482"	65.036551	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+ACN+2H"	43.041102
"203894"	219.03516	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+2Na-H"	44.97116
"643049"	306.06716	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+2Na-H"	44.97116
"1145820"	132.00316	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2Na-H"	44.97116
"186313"	110.021218	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+2Na"	45.978436
"626605"	153.537218	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+2Na"	45.978436
"1130354"	66.505218	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2Na"	45.978436
"1407433"	44.6725706666667	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H+2Na"	46.985712
"1441369"	134.044746	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H+HCOOH"	47.012746
"224867"	115.05424	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+3H2O+2H"	56.04448
"1515117"	148.09679	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+IsoProp+H"	61.06479
"418082"	118.008188	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+Na+K"	61.952376
"773609"	161.524188	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+Na+K"	61.952376
"1670308"	74.492188	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Na+K"	61.952376
"261931"	238.079768	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+ACN+Na"	64.015768
"1232452"	151.047768	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+ACN+Na"	64.015768
"1718423"	151.071293	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+NH4+HCOOH"	64.039293
"1183777"	51.9998846666667	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+3Na"	68.967654
"1657681"	156.026688	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Na+HCOOH"	68.994688
"160171"	250.98304	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+2K-H"	76.91904
"610309"	338.01504	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+2K-H"	76.91904
"1099892"	163.95104	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2K-H"	76.91904
"154190"	125.995158	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"2M+2K"	77.926316
"594113"	169.511158	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"3M+2K"	77.926316
"1079719"	82.479158	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2K"	77.926316
"1110376"	165.965592	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2K+H"	78.933592
"1342385"	166.053207	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+DMSO+H"	79.021207
"1013103"	170.092376	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2ACN+H"	83.060376
"1530134"	171.086008	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+IsoProp+Na+H"	84.054008
"995489"	85.549826	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+2ACN+2H"	84.067652
"1598376"	172.000628	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+K+HCOOH"	84.968628
"1425493"	202.032138	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+H+CF3COOH"	115.000138
"1147642"	106.063101	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+3ACN+2H"	125.094202
"1698774"	219.058685	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+NH4+CF3COOH"	132.026685
"1635519"	224.01408	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+Na+CF3COOH"	136.98208
"1574453"	239.98802	"C06695"	"2-Oxazolidinone"	"C3H5NO2"	"87.032"	"M+K+CF3COOH"	152.95602
"802996"	207.9766	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M"	0
"989614"	188.95821	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-H2O-H"	-19.01839
"74251"	137.643790666667	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M-3H"	-3.021828
"515634"	206.969324	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M-3H"	-3.021828
"894894"	68.3182573333333	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-3H"	-3.021828
"13834"	206.969324	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M-2H"	-2.014552
"445372"	310.957624	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M-2H"	-2.014552
"820986"	102.981024	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-2H"	-2.014552
"82072"	414.945924	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M-H"	-1.007276
"520904"	622.922524	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M-H"	-1.007276
"897977"	206.969324	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-H"	-1.007276
"48464"	431.972471	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M-2H+NH4"	16.019271
"489361"	639.949071	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M-2H+NH4"	16.019271
"864850"	223.995871	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-2H+NH4"	16.019271
"32506"	436.927866	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M-2H+Na"	20.974666
"472434"	644.904466	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M-2H+Na"	20.974666
"851334"	228.951266	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-2H+Na"	20.974666
"1620138"	228.951266	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Na-2H"	20.974666
"101408"	224.957663	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M-H+Cl"	33.962126
"540967"	328.945963	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M-H+Cl"	33.962126
"935583"	120.969363	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-H+Cl"	33.962126
"279607"	450.922602	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+Cl"	34.969402
"666560"	658.899202	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+Cl"	34.969402
"1278235"	242.946002	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Cl"	34.969402
"25897"	452.901806	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M-2H+K"	36.948606
"461082"	660.878406	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M-2H+K"	36.948606
"844352"	244.925206	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-2H+K"	36.948606
"1564560"	244.925206	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+K-2H"	36.948606
"957550"	252.974794	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-H+HCOOH"	44.998194
"371756"	460.951401	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+HCOOH-H"	44.998201
"350170"	474.967051	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+Hac-H"	59.013851
"1501189"	266.990451	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Hac-H"	59.013851
"967637"	274.956751	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-H+NaCOOH"	66.980151
"116545"	242.946002	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+2Cl"	69.938804
"553920"	346.934302	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+2Cl"	69.938804
"1026000"	138.957702	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2Cl"	69.938804
"1246672"	286.895485	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Br"	78.918885
"1312401"	288.951472	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Cl+HCOOH"	80.974872
"1324428"	310.933429	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Cl+NaCOOH"	102.956829
"915122"	320.962186	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M-H+CF3COOH"	112.985586
"1291464"	356.938864	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Cl+CF3COOH"	148.962264
"1369627"	172.963924	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H-2H2O"	-35.012676
"1386757"	190.9739	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H-H2O"	-17.0027
"284256"	416.960476	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+H"	1.007276
"679957"	624.937076	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+H"	1.007276
"1354119"	208.983876	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H"	1.007276
"127007"	208.983876	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+2H"	2.014552
"566203"	312.972176	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+2H"	2.014552
"1045227"	104.995576	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2H"	2.014552
"213129"	139.658342666667	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+3H"	3.021828
"651595"	208.983876	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+3H"	3.021828
"1171908"	70.3328093333333	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+3H"	3.021828
"430804"	433.987023	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+NH4"	18.033823
"789245"	641.963623	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+NH4"	18.033823
"1686306"	226.010423	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+NH4"	18.033823
"339689"	217.4971495	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+H+NH4"	19.041099
"731018"	321.4854495	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+H+NH4"	19.041099
"1484837"	113.5088495	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H+NH4"	19.041099
"402425"	438.942418	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+Na"	22.989218
"763419"	646.919018	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+Na"	22.989218
"1611516"	230.965818	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Na"	22.989218
"317180"	219.974847	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+H+Na"	23.996494
"709606"	323.963147	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+H+Na"	23.996494
"1466708"	115.986547	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H+Na"	23.996494
"1061043"	77.6601233333333	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2H+Na"	25.00377
"1257615"	241.010086	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+CH3OH+H"	33.033486
"377648"	454.916358	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+K"	38.963158
"740831"	662.892958	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+K"	38.963158
"1543620"	246.939758	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+K"	38.963158
"303713"	227.961817	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+H+K"	39.970434
"699414"	331.950117	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+H+K"	39.970434
"1461235"	123.973517	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H+K"	39.970434
"251010"	457.987026	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+ACN+H"	42.033826
"1225528"	250.010426	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+ACN+H"	42.033826
"1209432"	125.508851	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+ACN+2H"	43.041102
"204014"	460.92436	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+2Na-H"	44.97116
"643644"	668.90096	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+2Na-H"	44.97116
"1145198"	252.94776	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2Na-H"	44.97116
"184233"	230.965818	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+2Na"	45.978436
"624889"	334.954118	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+2Na"	45.978436
"1128393"	126.977518	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2Na"	45.978436
"1406449"	84.9874373333333	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H+2Na"	46.985712
"1439656"	254.989346	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H+HCOOH"	47.012746
"226069"	235.99884	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+3H2O+2H"	56.04448
"1516320"	269.04139	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+IsoProp+H"	61.06479
"420378"	238.952788	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+Na+K"	61.952376
"774447"	342.941088	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+Na+K"	61.952376
"1670053"	134.964488	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Na+K"	61.952376
"256574"	479.968968	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+ACN+Na"	64.015768
"1228187"	271.992368	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+ACN+Na"	64.015768
"1716709"	272.015893	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+NH4+HCOOH"	64.039293
"1182792"	92.3147513333333	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+3Na"	68.967654
"1654510"	276.971288	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Na+HCOOH"	68.994688
"163561"	492.87224	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+2K-H"	76.91904
"611512"	700.84884	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+2K-H"	76.91904
"1099809"	284.89564	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2K-H"	76.91904
"154300"	246.939758	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"2M+2K"	77.926316
"589119"	350.928058	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"3M+2K"	77.926316
"1080192"	142.951458	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2K"	77.926316
"1109391"	286.910192	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2K+H"	78.933592
"1342495"	286.997807	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+DMSO+H"	79.021207
"1015765"	291.036976	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2ACN+H"	83.060376
"1529151"	292.030608	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+IsoProp+Na+H"	84.054008
"996692"	146.022126	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+2ACN+2H"	84.067652
"1598850"	292.945228	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+K+HCOOH"	84.968628
"1429250"	322.976738	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+H+CF3COOH"	115.000138
"1149334"	166.535401	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+3ACN+2H"	125.094202
"1698155"	340.003285	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+NH4+CF3COOH"	132.026685
"1634778"	344.95868	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+Na+CF3COOH"	136.98208
"1575656"	360.93262	"C06696"	"Lead;Pb;Pb2"	"Pb"	"207.9766"	"M+K+CF3COOH"	152.95602
"804929"	122.9063	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M"	0
"987211"	103.88791	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-H2O-H"	-19.01839
"74361"	80.9302573333333	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M-3H"	-3.021828
"517811"	121.899024	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M-3H"	-3.021828
"894397"	39.9614906666667	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-3H"	-3.021828
"14552"	121.899024	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M-2H"	-2.014552
"444389"	183.352174	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M-2H"	-2.014552
"822190"	60.445874	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-2H"	-2.014552
"85463"	244.805324	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M-H"	-1.007276
"522837"	367.711624	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M-H"	-1.007276
"899546"	121.899024	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-H"	-1.007276
"48453"	261.831871	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M-2H+NH4"	16.019271
"487648"	384.738171	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M-2H+NH4"	16.019271
"864597"	138.925571	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-2H+NH4"	16.019271
"31766"	266.787266	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M-2H+Na"	20.974666
"471545"	389.693566	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M-2H+Na"	20.974666
"848890"	143.880966	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-2H+Na"	20.974666
"1620608"	143.880966	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Na-2H"	20.974666
"94465"	139.887363	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M-H+Cl"	33.962126
"538525"	201.340513	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M-H+Cl"	33.962126
"934597"	78.434213	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-H+Cl"	33.962126
"276437"	280.782002	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+Cl"	34.969402
"666671"	403.688302	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+Cl"	34.969402
"1277981"	157.875702	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Cl"	34.969402
"18352"	282.761206	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M-2H+K"	36.948606
"460097"	405.667506	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M-2H+K"	36.948606
"841182"	159.854906	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-2H+K"	36.948606
"1558109"	159.854906	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+K-2H"	36.948606
"956930"	167.904494	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-H+HCOOH"	44.998194
"372959"	290.810801	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+HCOOH-H"	44.998201
"352468"	304.826451	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+Hac-H"	59.013851
"1503486"	181.920151	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Hac-H"	59.013851
"967748"	189.886451	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-H+NaCOOH"	66.980151
"114468"	157.875702	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+2Cl"	69.938804
"557310"	219.328852	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+2Cl"	69.938804
"1024651"	96.422552	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2Cl"	69.938804
"1246782"	201.825185	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Br"	78.918885
"1314697"	203.881172	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Cl+HCOOH"	80.974872
"1325631"	225.863129	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Cl+NaCOOH"	102.956829
"916691"	235.891886	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M-H+CF3COOH"	112.985586
"1291574"	271.868564	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Cl+CF3COOH"	148.962264
"1371560"	87.893624	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H-2H2O"	-35.012676
"1383587"	105.9036	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H-H2O"	-17.0027
"284366"	246.819876	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+H"	1.007276
"676788"	369.726176	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+H"	1.007276
"1352406"	123.913576	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H"	1.007276
"126266"	123.913576	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+2H"	2.014552
"566067"	185.366726	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+2H"	2.014552
"1046430"	62.460426	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2H"	2.014552
"213239"	82.9448093333333	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+3H"	3.021828
"654985"	123.913576	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+3H"	3.021828
"1173110"	41.9760426666667	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+3H"	3.021828
"435289"	263.846423	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+NH4"	18.033823
"793001"	386.752723	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+NH4"	18.033823
"1686052"	140.940123	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+NH4"	18.033823
"337612"	132.4268495	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+H+NH4"	19.041099
"733316"	193.8799995	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+H+NH4"	19.041099
"1483854"	70.9736995	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H+NH4"	19.041099
"403628"	268.801818	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+Na"	22.989218
"764623"	391.708118	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+Na"	22.989218
"1611626"	145.895518	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Na"	22.989218
"318384"	134.904547	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+H+Na"	23.996494
"710810"	196.357697	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+H+Na"	23.996494
"1469004"	73.451397	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H+Na"	23.996494
"1062247"	49.3033566666667	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2H+Na"	25.00377
"1263924"	155.939786	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+CH3OH+H"	33.033486
"381405"	284.775758	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+K"	38.963158
"740577"	407.682058	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+K"	38.963158
"1545553"	161.869458	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+K"	38.963158
"306008"	142.891517	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+H+K"	39.970434
"698431"	204.344667	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+H+K"	39.970434
"1461186"	81.438367	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H+K"	39.970434
"251170"	287.846426	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+ACN+H"	42.033826
"1225414"	164.940126	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+ACN+H"	42.033826
"1208030"	82.973701	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+ACN+2H"	43.041102
"203942"	290.78376	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+2Na-H"	44.97116
"643746"	413.69006	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+2Na-H"	44.97116
"1146983"	167.87746	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2Na-H"	44.97116
"188198"	145.895518	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+2Na"	45.978436
"627557"	207.348668	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+2Na"	45.978436
"1127407"	84.442368	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2Na"	45.978436
"1409839"	56.6306706666667	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H+2Na"	46.985712
"1439767"	169.919046	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H+HCOOH"	47.012746
"225088"	150.92854	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+3H2O+2H"	56.04448
"1518617"	183.97109	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+IsoProp+H"	61.06479
"416116"	153.882488	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+Na+K"	61.952376
"776016"	215.335638	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+Na+K"	61.952376
"1672351"	92.429338	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Na+K"	61.952376
"257778"	309.828368	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+ACN+Na"	64.015768
"1229391"	186.922068	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+ACN+Na"	64.015768
"1717185"	186.945593	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+NH4+HCOOH"	64.039293
"1182173"	63.9579846666667	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+3Na"	68.967654
"1653527"	191.900988	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Na+HCOOH"	68.994688
"163672"	322.73164	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+2K-H"	76.91904
"609435"	445.63794	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+2K-H"	76.91904
"1099837"	199.82534	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2K-H"	76.91904
"155504"	161.869458	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"2M+2K"	77.926316
"592145"	223.322608	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"3M+2K"	77.926316
"1080666"	100.416308	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2K"	77.926316
"1111688"	201.839892	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2K+H"	78.933592
"1342605"	201.927507	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+DMSO+H"	79.021207
"1014416"	205.966676	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2ACN+H"	83.060376
"1528166"	206.960308	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+IsoProp+Na+H"	84.054008
"995709"	103.486976	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+2ACN+2H"	84.067652
"1593492"	207.874928	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+K+HCOOH"	84.968628
"1426806"	237.906438	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+H+CF3COOH"	115.000138
"1151631"	124.000251	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+3ACN+2H"	125.094202
"1698995"	254.932985	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+NH4+CF3COOH"	132.026685
"1634767"	259.88838	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+Na+CF3COOH"	136.98208
"1575766"	275.86232	"C06697"	"Arsenite;Trisoxylatoarsine"	"AsO3"	"122.9063"	"M+K+CF3COOH"	152.95602
"802852"	81.982	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M"	0
"984041"	62.96361	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-H2O-H"	-19.01839
"71191"	53.6473906666667	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M-3H"	-3.021828
"516218"	80.974724	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M-3H"	-3.021828
"894872"	26.3200573333333	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-3H"	-3.021828
"12594"	80.974724	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M-2H"	-2.014552
"448875"	121.965724	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M-2H"	-2.014552
"819748"	39.983724	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-2H"	-2.014552
"82657"	162.956724	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M-H"	-1.007276
"520393"	244.938724	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M-H"	-1.007276
"900020"	80.974724	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-H"	-1.007276
"47832"	179.983271	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M-2H+NH4"	16.019271
"487594"	261.965271	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M-2H+NH4"	16.019271
"864543"	98.001271	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-2H+NH4"	16.019271
"31466"	184.938666	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M-2H+Na"	20.974666
"471476"	266.920666	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M-2H+Na"	20.974666
"848647"	102.956666	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-2H+Na"	20.974666
"1619989"	102.956666	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Na-2H"	20.974666
"94495"	98.963063	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M-H+Cl"	33.962126
"539000"	139.954063	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M-H+Cl"	33.962126
"932883"	57.972063	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-H+Cl"	33.962126
"273262"	198.933402	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+Cl"	34.969402
"663498"	280.915402	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+Cl"	34.969402
"1274806"	116.951402	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Cl"	34.969402
"17366"	200.912606	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M-2H+K"	36.948606
"460209"	282.894606	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M-2H+K"	36.948606
"833757"	118.930606	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-2H+K"	36.948606
"1556231"	118.930606	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+K-2H"	36.948606
"954852"	126.980194	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-H+HCOOH"	44.998194
"365413"	208.962201	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+HCOOH-H"	44.998201
"354763"	222.977851	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+Hac-H"	59.013851
"1497035"	140.995851	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Hac-H"	59.013851
"964578"	148.962151	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-H+NaCOOH"	66.980151
"114578"	116.951402	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+2Cl"	69.938804
"557420"	157.942402	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+2Cl"	69.938804
"1024397"	75.960402	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2Cl"	69.938804
"1246892"	160.900885	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Br"	78.918885
"1313714"	162.956872	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Cl+HCOOH"	80.974872
"1325741"	184.938829	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Cl+NaCOOH"	102.956829
"915708"	194.967586	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M-H+CF3COOH"	112.985586
"1292413"	230.944264	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Cl+CF3COOH"	148.962264
"1372763"	46.969324	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H-2H2O"	-35.012676
"1384790"	64.9793	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H-H2O"	-17.0027
"285570"	164.971276	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+H"	1.007276
"676898"	246.953276	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+H"	1.007276
"1351906"	82.989276	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H"	1.007276
"129413"	82.989276	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+2H"	2.014552
"565867"	123.980276	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+2H"	2.014552
"1045448"	41.998276	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2H"	2.014552
"214443"	55.6619426666667	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+3H"	3.021828
"656916"	82.989276	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+3H"	3.021828
"1173220"	28.3346093333333	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+3H"	3.021828
"436491"	181.997823	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+NH4"	18.033823
"792018"	263.979823	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+NH4"	18.033823
"1686891"	100.015823	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+NH4"	18.033823
"335535"	91.5025495	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+H+NH4"	19.041099
"729050"	132.4935495	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+H+NH4"	19.041099
"1485057"	50.5115495	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H+NH4"	19.041099
"397177"	186.953218	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+Na"	22.989218
"764733"	268.935218	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+Na"	22.989218
"1610643"	104.971218	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Na"	22.989218
"318494"	93.980247	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+H+Na"	23.996494
"712013"	134.971247	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+H+Na"	23.996494
"1470207"	52.989247	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H+Na"	23.996494
"1060171"	35.6619233333333	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2H+Na"	25.00377
"1264034"	115.015486	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+CH3OH+H"	33.033486
"379692"	202.927158	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+K"	38.963158
"740686"	284.909158	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+K"	38.963158
"1545665"	120.945158	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+K"	38.963158
"303932"	101.967217	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+H+K"	39.970434
"700728"	142.958217	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+H+K"	39.970434
"1461242"	60.976217	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H+K"	39.970434
"251071"	205.997826	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+ACN+H"	42.033826
"1225534"	124.015826	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+ACN+H"	42.033826
"1207047"	62.511551	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+ACN+2H"	43.041102
"202469"	208.93516	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+2Na-H"	44.97116
"644062"	290.91716	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+2Na-H"	44.97116
"1146026"	126.95316	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2Na-H"	44.97116
"187372"	104.971218	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+2Na"	45.978436
"626936"	145.962218	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+2Na"	45.978436
"1123144"	63.980218	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2Na"	45.978436
"1406668"	42.9892373333333	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H+2Na"	46.985712
"1435136"	128.994746	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H+HCOOH"	47.012746
"225199"	110.00424	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+3H2O+2H"	56.04448
"1513988"	143.04679	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+IsoProp+H"	61.06479
"417318"	112.958188	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+Na+K"	61.952376
"772115"	153.949188	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+Na+K"	61.952376
"1672459"	71.967188	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Na+K"	61.952376
"256795"	227.979768	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+ACN+Na"	64.015768
"1230230"	145.997768	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+ACN+Na"	64.015768
"1718021"	146.021293	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+NH4+HCOOH"	64.039293
"1182648"	50.3165513333333	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+3Na"	68.967654
"1654001"	150.976688	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Na+HCOOH"	68.994688
"161595"	240.88304	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+2K-H"	76.91904
"611732"	322.86504	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+2K-H"	76.91904
"1099878"	158.90104	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2K-H"	76.91904
"156224"	120.945158	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"2M+2K"	77.926316
"595171"	161.936158	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"3M+2K"	77.926316
"1080412"	79.954158	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2K"	77.926316
"1111798"	160.915592	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2K+H"	78.933592
"1342715"	161.003207	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+DMSO+H"	79.021207
"1014526"	165.042376	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2ACN+H"	83.060376
"1528276"	166.036008	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+IsoProp+Na+H"	84.054008
"998005"	83.024826	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+2ACN+2H"	84.067652
"1596882"	166.950628	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+K+HCOOH"	84.968628
"1426916"	196.982138	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+H+CF3COOH"	115.000138
"1150647"	103.538101	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+3ACN+2H"	125.094202
"1699105"	214.008685	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+NH4+CF3COOH"	132.026685
"1634877"	218.96408	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+Na+CF3COOH"	136.98208
"1575876"	234.93802	"C06701"	"Phosphonic acid;Phosphonate;Phosphorous acid;Phosphite"	"H3PO3"	"81.982"	"M+K+CF3COOH"	152.95602
"802238"	106.9051	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M"	0
"975408"	87.88671	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-H2O-H"	-19.01839
"71305"	70.2627906666667	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M-3H"	-3.021828
"508678"	105.897824	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M-3H"	-3.021828
"885391"	34.6277573333333	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-3H"	-3.021828
"1778"	105.897824	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M-2H"	-2.014552
"445709"	159.350374	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M-2H"	-2.014552
"824603"	52.445274	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-2H"	-2.014552
"82045"	212.802924	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M-H"	-1.007276
"524157"	319.708024	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M-H"	-1.007276
"903050"	105.897824	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-H"	-1.007276
"56332"	229.829471	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M-2H+NH4"	16.019271
"499173"	336.734571	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M-2H+NH4"	16.019271
"874793"	122.924371	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-2H+NH4"	16.019271
"40505"	234.784866	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M-2H+Na"	20.974666
"482623"	341.689966	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M-2H+Na"	20.974666
"860793"	127.879766	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-2H+Na"	20.974666
"1631542"	127.879766	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Na-2H"	20.974666
"107099"	123.886163	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M-H+Cl"	33.962126
"539125"	177.338713	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M-H+Cl"	33.962126
"929357"	70.433613	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-H+Cl"	33.962126
"277758"	248.779602	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+Cl"	34.969402
"669086"	355.684702	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+Cl"	34.969402
"1278209"	141.874502	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Cl"	34.969402
"22954"	250.758806	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M-2H+K"	36.948606
"460329"	357.663906	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M-2H+K"	36.948606
"838130"	143.853706	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-2H+K"	36.948606
"1558702"	143.853706	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+K-2H"	36.948606
"945491"	151.903294	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-H+HCOOH"	44.998194
"365894"	258.808401	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+HCOOH-H"	44.998201
"349048"	272.824051	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+Hac-H"	59.013851
"1501525"	165.918951	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Hac-H"	59.013851
"970159"	173.885251	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-H+NaCOOH"	66.980151
"115785"	141.874502	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+2Cl"	69.938804
"555345"	195.327052	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+2Cl"	69.938804
"1026330"	88.421952	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2Cl"	69.938804
"1250282"	185.823985	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Br"	78.918885
"1313826"	187.879972	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Cl+HCOOH"	80.974872
"1329136"	209.861929	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Cl+NaCOOH"	102.956829
"915821"	219.890686	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M-H+CF3COOH"	112.985586
"1294717"	255.867364	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Cl+CF3COOH"	148.962264
"1378349"	71.892424	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H-2H2O"	-35.012676
"1393659"	89.9024	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H-H2O"	-17.0027
"291167"	214.817476	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+H"	1.007276
"687234"	321.722576	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+H"	1.007276
"1362123"	107.912376	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H"	1.007276
"133918"	107.912376	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+2H"	2.014552
"569105"	161.364926	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+2H"	2.014552
"1042278"	54.459826	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2H"	2.014552
"207993"	72.2773426666667	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+3H"	3.021828
"653020"	107.912376	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+3H"	3.021828
"1170051"	36.6423093333333	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+3H"	3.021828
"427854"	231.844023	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+NH4"	18.033823
"793227"	338.749123	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+NH4"	18.033823
"1687369"	124.938923	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+NH4"	18.033823
"340021"	116.4256495	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+H+NH4"	19.041099
"730255"	169.8781995	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+H+NH4"	19.041099
"1479340"	62.9730995	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H+NH4"	19.041099
"394131"	236.799418	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+Na"	22.989218
"755004"	343.704518	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+Na"	22.989218
"1604321"	129.894318	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Na"	22.989218
"316425"	118.903347	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+H+Na"	23.996494
"712126"	172.355897	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+H+Na"	23.996494
"1467044"	65.450797	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H+Na"	23.996494
"1061384"	43.9696233333333	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2H+Na"	25.00377
"1266345"	139.938586	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+CH3OH+H"	33.033486
"387107"	252.773358	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+K"	38.963158
"754203"	359.678458	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+K"	38.963158
"1555572"	145.868258	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+K"	38.963158
"310254"	126.890317	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+H+K"	39.970434
"701945"	180.342867	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+H+K"	39.970434
"1457589"	73.437767	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H+K"	39.970434
"251341"	255.844026	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+ACN+H"	42.033826
"1219264"	148.938926	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+ACN+H"	42.033826
"1202054"	74.973101	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+ACN+2H"	43.041102
"198205"	258.78136	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+2Na-H"	44.97116
"641654"	365.68646	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+2Na-H"	44.97116
"1137991"	151.87626	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2Na-H"	44.97116
"181281"	129.894318	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+2Na"	45.978436
"620841"	183.346868	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+2Na"	45.978436
"1121069"	76.441768	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2Na"	45.978436
"1402405"	51.2969373333333	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H+2Na"	46.985712
"1431968"	153.917846	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H+HCOOH"	47.012746
"224212"	134.92734	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+3H2O+2H"	56.04448
"1511911"	167.96989	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+IsoProp+H"	61.06479
"413053"	137.881288	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+Na+K"	61.952376
"778431"	191.333838	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+Na+K"	61.952376
"1672576"	84.428738	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Na+K"	61.952376
"262381"	277.825968	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+ACN+Na"	64.015768
"1238379"	170.920868	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+ACN+Na"	64.015768
"1728409"	170.944393	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+NH4+HCOOH"	64.039293
"1192619"	58.6242513333333	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+3Na"	68.967654
"1663604"	175.899788	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Na+HCOOH"	68.994688
"172170"	290.72924	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+2K-H"	76.91904
"610025"	397.63434	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+2K-H"	76.91904
"1098914"	183.82414	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2K-H"	76.91904
"154513"	145.868258	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"2M+2K"	77.926316
"596505"	199.320808	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"3M+2K"	77.926316
"1081986"	92.415708	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2K"	77.926316
"1107540"	185.838692	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2K+H"	78.933592
"1347207"	185.926307	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+DMSO+H"	79.021207
"1019021"	189.965476	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2ACN+H"	83.060376
"1537146"	190.959108	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+IsoProp+Na+H"	84.054008
"1003229"	95.486376	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+2ACN+2H"	84.067652
"1595910"	191.873728	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+K+HCOOH"	84.968628
"1424851"	221.905238	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+H+CF3COOH"	115.000138
"1160606"	115.999651	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+3ACN+2H"	125.094202
"1709063"	238.931785	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+NH4+CF3COOH"	132.026685
"1640340"	243.88718	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+Na+CF3COOH"	136.98208
"1574897"	259.86112	"C06710"	"Silver;Argentum;Ag;Ag"	"Ag"	"106.9051"	"M+K+CF3COOH"	152.95602
"802347"	182.0732	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M"	0
"976611"	163.05481	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-H2O-H"	-19.01839
"71415"	120.374857333333	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M-3H"	-3.021828
"506601"	181.065924	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M-3H"	-3.021828
"888781"	59.6837906666667	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-3H"	-3.021828
"2981"	181.065924	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M-2H"	-2.014552
"444725"	272.102524	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M-2H"	-2.014552
"825806"	90.029324	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-2H"	-2.014552
"83614"	363.139124	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M-H"	-1.007276
"526455"	545.212324	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M-H"	-1.007276
"904255"	181.065924	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-H"	-1.007276
"58629"	380.165671	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M-2H+NH4"	16.019271
"499283"	562.238871	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M-2H+NH4"	16.019271
"874903"	198.092471	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-2H+NH4"	16.019271
"41709"	385.121066	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M-2H+Na"	20.974666
"480174"	567.194266	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M-2H+Na"	20.974666
"860171"	203.047866	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-2H+Na"	20.974666
"1622052"	203.047866	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Na-2H"	20.974666
"100770"	199.054263	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M-H+Cl"	33.962126
"539235"	290.090863	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M-H+Cl"	33.962126
"927438"	108.017663	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-H+Cl"	33.962126
"272401"	399.115802	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+Cl"	34.969402
"669196"	581.189002	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+Cl"	34.969402
"1278319"	217.042602	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Cl"	34.969402
"23064"	401.095006	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M-2H+K"	36.948606
"459346"	583.168206	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M-2H+K"	36.948606
"836053"	219.021806	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-2H+K"	36.948606
"1556261"	219.021806	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+K-2H"	36.948606
"944144"	227.071394	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-H+HCOOH"	44.998194
"365640"	409.144601	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+HCOOH-H"	44.998201
"350617"	423.160251	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+Hac-H"	59.013851
"1501635"	241.087051	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Hac-H"	59.013851
"968082"	249.053351	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-H+NaCOOH"	66.980151
"115895"	217.042602	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+2Cl"	69.938804
"558735"	308.079202	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+2Cl"	69.938804
"1030815"	126.006002	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2Cl"	69.938804
"1253675"	260.992085	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Br"	78.918885
"1316122"	263.048072	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Cl+HCOOH"	80.974872
"1329246"	285.030029	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Cl+NaCOOH"	102.956829
"919211"	295.058786	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M-H+CF3COOH"	112.985586
"1294827"	331.035464	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Cl+CF3COOH"	148.962264
"1379553"	147.060524	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H-2H2O"	-35.012676
"1394864"	165.0705	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H-H2O"	-17.0027
"290184"	365.153676	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+H"	1.007276
"686979"	547.226876	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+H"	1.007276
"1362233"	183.080476	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H"	1.007276
"130748"	183.080476	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+2H"	2.014552
"568849"	274.117076	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+2H"	2.014552
"1039468"	92.043876	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2H"	2.014552
"207007"	122.389409333333	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+3H"	3.021828
"653130"	183.080476	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+3H"	3.021828
"1170161"	61.6983426666667	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+3H"	3.021828
"429787"	382.180223	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+NH4"	18.033823
"793337"	564.253423	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+NH4"	18.033823
"1688572"	200.107023	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+NH4"	18.033823
"337944"	191.5937495	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+H+NH4"	19.041099
"735833"	282.6303495	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+H+NH4"	19.041099
"1480908"	100.5571495	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H+NH4"	19.041099
"396308"	387.135618	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+Na"	22.989218
"755358"	569.208818	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+Na"	22.989218
"1605403"	205.062418	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Na"	22.989218
"317627"	194.071447	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+H+Na"	23.996494
"710049"	285.108047	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+H+Na"	23.996494
"1472258"	103.034847	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H+Na"	23.996494
"1064411"	69.0256566666667	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2H+Na"	25.00377
"1270465"	215.106686	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+CH3OH+H"	33.033486
"390133"	403.109558	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+K"	38.963158
"749320"	585.182758	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+K"	38.963158
"1554654"	221.036358	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+K"	38.963158
"312800"	202.058417	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+H+K"	39.970434
"706437"	293.095017	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+H+K"	39.970434
"1460251"	111.021817	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H+K"	39.970434
"250562"	406.180226	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+ACN+H"	42.033826
"1218280"	224.107026	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+ACN+H"	42.033826
"1204351"	112.557151	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+ACN+2H"	43.041102
"199774"	409.11756	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+2Na-H"	44.97116
"640791"	591.19076	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+2Na-H"	44.97116
"1141380"	227.04436	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2Na-H"	44.97116
"184306"	205.062418	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+2Na"	45.978436
"624231"	296.099018	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+2Na"	45.978436
"1124455"	114.025818	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2Na"	45.978436
"1403605"	76.3529706666667	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H+2Na"	46.985712
"1435720"	229.085946	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H+HCOOH"	47.012746
"222865"	210.09544	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+3H2O+2H"	56.04448
"1512390"	243.13799	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+IsoProp+H"	61.06479
"413170"	213.049388	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+Na+K"	61.952376
"774167"	304.085988	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+Na+K"	61.952376
"1671593"	122.012788	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Na+K"	61.952376
"262126"	428.162168	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+ACN+Na"	64.015768
"1239341"	246.088968	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+ACN+Na"	64.015768
"1727743"	246.112493	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+NH4+HCOOH"	64.039293
"1191514"	83.6802846666667	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+3Na"	68.967654
"1665053"	251.067888	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Na+HCOOH"	68.994688
"171549"	441.06544	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+2K-H"	76.91904
"609042"	623.13864	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+2K-H"	76.91904
"1097928"	258.99224	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2K-H"	76.91904
"154744"	221.036358	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"2M+2K"	77.926316
"596252"	312.072958	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"3M+2K"	77.926316
"1082096"	129.999758	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2K"	77.926316
"1106557"	261.006792	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2K+H"	78.933592
"1349503"	261.094407	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+DMSO+H"	79.021207
"1018038"	265.133576	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2ACN+H"	83.060376
"1539446"	266.127208	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+IsoProp+Na+H"	84.054008
"1003339"	133.070426	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+2ACN+2H"	84.067652
"1594927"	267.041828	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+K+HCOOH"	84.968628
"1421680"	297.073338	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+H+CF3COOH"	115.000138
"1160716"	153.583701	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+3ACN+2H"	125.094202
"1709173"	314.099885	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+NH4+CF3COOH"	132.026685
"1640449"	319.05528	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+Na+CF3COOH"	136.98208
"1575007"	335.02922	"C06711"	"Fluoren-9-ol;9-Fluorenol;9-Hydroxyfluorene;Diphenylene carbinol"	"C13H10O"	"182.0732"	"M+K+CF3COOH"	152.95602
"802458"	180.0575	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M"	0
"976721"	161.03911	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-H2O-H"	-19.01839
"64595"	119.031057333333	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M-3H"	-3.021828
"508898"	179.050224	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M-3H"	-3.021828
"885611"	59.0118906666667	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-3H"	-3.021828
"4184"	179.050224	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M-2H"	-2.014552
"444836"	269.078974	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M-2H"	-2.014552
"825916"	89.021474	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-2H"	-2.014552
"84817"	359.107724	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M-H"	-1.007276
"526565"	539.165224	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M-H"	-1.007276
"909104"	179.050224	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-H"	-1.007276
"58739"	376.134271	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M-2H+NH4"	16.019271
"499393"	556.191771	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M-2H+NH4"	16.019271
"871733"	196.076771	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-2H+NH4"	16.019271
"41818"	381.089666	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M-2H+Na"	20.974666
"482470"	561.147166	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M-2H+Na"	20.974666
"861010"	201.032166	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-2H+Na"	20.974666
"1623255"	201.032166	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Na-2H"	20.974666
"100880"	197.038563	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M-H+Cl"	33.962126
"537159"	287.067313	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M-H+Cl"	33.962126
"928847"	107.009813	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-H+Cl"	33.962126
"267891"	395.084402	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+Cl"	34.969402
"668213"	575.141902	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+Cl"	34.969402
"1279522"	215.026902	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Cl"	34.969402
"25361"	397.063606	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M-2H+K"	36.948606
"461642"	577.121106	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M-2H+K"	36.948606
"836163"	217.006106	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-2H+K"	36.948606
"1556370"	217.006106	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+K-2H"	36.948606
"944616"	225.055694	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-H+HCOOH"	44.998194
"365750"	405.113201	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+HCOOH-H"	44.998201
"350727"	419.128851	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+Hac-H"	59.013851
"1501745"	239.071351	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Hac-H"	59.013851
"971472"	247.037651	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-H+NaCOOH"	66.980151
"119285"	215.026902	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+2Cl"	69.938804
"554470"	305.055652	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+2Cl"	69.938804
"1026914"	124.998152	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2Cl"	69.938804
"1249410"	258.976385	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Br"	78.918885
"1310764"	261.032372	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Cl+HCOOH"	80.974872
"1329356"	283.014329	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Cl+NaCOOH"	102.956829
"919320"	293.043086	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M-H+CF3COOH"	112.985586
"1294937"	329.019764	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Cl+CF3COOH"	148.962264
"1377475"	145.044824	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H-2H2O"	-35.012676
"1393881"	163.0548	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H-H2O"	-17.0027
"290294"	361.122276	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+H"	1.007276
"685996"	541.179776	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+H"	1.007276
"1355783"	181.064776	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H"	1.007276
"127941"	181.064776	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+2H"	2.014552
"568230"	271.093526	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+2H"	2.014552
"1040306"	91.036026	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2H"	2.014552
"207481"	121.045609333333	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+3H"	3.021828
"645582"	181.064776	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+3H"	3.021828
"1163098"	61.0264426666667	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+3H"	3.021828
"426614"	378.148823	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+NH4"	18.033823
"786879"	558.206323	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+NH4"	18.033823
"1686859"	198.091323	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+NH4"	18.033823
"336960"	189.5780495	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+H+NH4"	19.041099
"726099"	279.6067995	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+H+NH4"	19.041099
"1482111"	99.5492995	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H+NH4"	19.041099
"395324"	383.104218	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+Na"	22.989218
"754491"	563.161718	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+Na"	22.989218
"1604419"	203.046718	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Na"	22.989218
"316643"	192.055747	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+H+Na"	23.996494
"707479"	282.084497	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+H+Na"	23.996494
"1463980"	102.026997	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H+Na"	23.996494
"1061604"	68.3537566666667	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2H+Na"	25.00377
"1266200"	213.090986	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+CH3OH+H"	33.033486
"387327"	399.078158	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+K"	38.963158
"752699"	579.135658	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+K"	38.963158
"1553668"	219.020658	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+K"	38.963158
"311933"	200.042717	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+H+K"	39.970434
"706464"	290.071467	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+H+K"	39.970434
"1460606"	110.013967	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H+K"	39.970434
"250543"	402.148826	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+ACN+H"	42.033826
"1215110"	222.091326	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+ACN+H"	42.033826
"1198993"	111.549301	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+ACN+2H"	43.041102
"194050"	405.08616	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+2Na-H"	44.97116
"635798"	585.14366	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+2Na-H"	44.97116
"1141491"	225.02866	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2Na-H"	44.97116
"182592"	203.046718	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+2Na"	45.978436
"623246"	293.075468	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+2Na"	45.978436
"1124565"	113.017968	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2Na"	45.978436
"1402621"	75.6810706666667	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H+2Na"	46.985712
"1434737"	227.070246	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H+HCOOH"	47.012746
"223342"	208.07974	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+3H2O+2H"	56.04448
"1512500"	241.12229	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+IsoProp+H"	61.06479
"412187"	211.033688	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+Na+K"	61.952376
"776464"	301.062438	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+Na+K"	61.952376
"1672796"	121.004938	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Na+K"	61.952376
"260413"	424.130768	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+ACN+Na"	64.015768
"1237499"	244.073268	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+ACN+Na"	64.015768
"1724199"	244.096793	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+NH4+HCOOH"	64.039293
"1181901"	83.0083846666667	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+3Na"	68.967654
"1652886"	249.052188	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Na+HCOOH"	68.994688
"164121"	437.03404	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+2K-H"	76.91904
"603682"	617.09154	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+2K-H"	76.91904
"1098038"	256.97654	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2K-H"	76.91904
"155462"	219.020658	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"2M+2K"	77.926316
"596241"	309.049408	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"3M+2K"	77.926316
"1082206"	128.991908	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2K"	77.926316
"1106667"	258.991092	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2K+H"	78.933592
"1349613"	259.078707	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+DMSO+H"	79.021207
"1017055"	263.117876	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2ACN+H"	83.060376
"1539069"	264.111508	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+IsoProp+Na+H"	84.054008
"1002720"	132.062576	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+2ACN+2H"	84.067652
"1598317"	265.026128	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+K+HCOOH"	84.968628
"1421790"	295.057638	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+H+CF3COOH"	115.000138
"1158639"	152.575851	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+3ACN+2H"	125.094202
"1706003"	312.084185	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+NH4+CF3COOH"	132.026685
"1640559"	317.03958	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+Na+CF3COOH"	136.98208
"1575117"	333.01352	"C06712"	"Fluoren-9-one;9-Fluorenone"	"C13H8O"	"180.0575"	"M+K+CF3COOH"	152.95602
"805484"	925.1731	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M"	0
"976831"	906.15471	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-H2O-H"	-19.01839
"65435"	615.774790666667	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M-3H"	-3.021828
"512288"	924.165824	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M-3H"	-3.021828
"889001"	307.383757333333	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-3H"	-3.021828
"5388"	924.165824	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M-2H"	-2.014552
"446040"	1386.752374	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M-2H"	-2.014552
"823840"	461.579274	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-2H"	-2.014552
"88209"	1849.338924	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M-H"	-1.007276
"529955"	2774.512024	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M-H"	-1.007276
"909214"	924.165824	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-H"	-1.007276
"58849"	1866.365471	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M-2H+NH4"	16.019271
"499503"	2791.538571	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M-2H+NH4"	16.019271
"871838"	941.192371	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-2H+NH4"	16.019271
"39739"	1871.320866	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M-2H+Na"	20.974666
"477111"	2796.493966	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M-2H+Na"	20.974666
"860389"	946.147766	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-2H+Na"	20.974666
"1629921"	946.147766	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Na-2H"	20.974666
"97704"	942.154163	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M-H+Cl"	33.962126
"539450"	1404.740713	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M-H+Cl"	33.962126
"930050"	479.567613	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-H+Cl"	33.962126
"268486"	1885.315602	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+Cl"	34.969402
"666136"	2810.488702	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+Cl"	34.969402
"1275987"	960.142502	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Cl"	34.969402
"21097"	1887.294806	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M-2H+K"	36.948606
"461750"	2812.467906	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M-2H+K"	36.948606
"835907"	962.121706	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-2H+K"	36.948606
"1558301"	962.121706	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+K-2H"	36.948606
"945819"	970.171294	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-H+HCOOH"	44.998194
"366224"	1895.344401	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+HCOOH-H"	44.998201
"350837"	1909.360051	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+Hac-H"	59.013851
"1502948"	984.186951	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Hac-H"	59.013851
"971582"	992.153251	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-H+NaCOOH"	66.980151
"116114"	960.142502	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+2Cl"	69.938804
"553486"	1422.729052	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+2Cl"	69.938804
"1025930"	497.555952	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2Cl"	69.938804
"1249520"	1004.091985	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Br"	78.918885
"1308687"	1006.147972	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Cl+HCOOH"	80.974872
"1329466"	1028.129929	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Cl+NaCOOH"	102.956829
"919430"	1038.158686	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M-H+CF3COOH"	112.985586
"1291767"	1074.135364	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Cl+CF3COOH"	148.962264
"1377583"	890.160424	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H-2H2O"	-35.012676
"1392896"	908.1704	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H-H2O"	-17.0027
"290399"	1851.353476	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+H"	1.007276
"689380"	2776.526576	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+H"	1.007276
"1352976"	926.180376	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H"	1.007276
"127322"	926.180376	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+2H"	2.014552
"568340"	1388.766926	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+2H"	2.014552
"1038957"	463.593826	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2H"	2.014552
"206498"	617.789342666667	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+3H"	3.021828
"645691"	926.180376	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+3H"	3.021828
"1164910"	309.398309333333	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+3H"	3.021828
"427454"	1868.380023	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+NH4"	18.033823
"788448"	2793.553123	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+NH4"	18.033823
"1686605"	943.206923	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+NH4"	18.033823
"337070"	934.6936495	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+H+NH4"	19.041099
"726209"	1397.2801995	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+H+NH4"	19.041099
"1481128"	472.1070995	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H+NH4"	19.041099
"396527"	1873.335418	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+Na"	22.989218
"754483"	2798.508518	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+Na"	22.989218
"1604894"	948.162318	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Na"	22.989218
"315659"	937.171347	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+H+Na"	23.996494
"709173"	1399.757897	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+H+Na"	23.996494
"1465183"	474.584797	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H+Na"	23.996494
"1059524"	316.725623333333	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2H+Na"	25.00377
"1266674"	958.206586	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+CH3OH+H"	33.033486
"387436"	1889.309358	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+K"	38.963158
"752688"	2814.482458	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+K"	38.963158
"1554503"	964.136258	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+K"	38.963158
"313872"	945.158317	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+H+K"	39.970434
"706288"	1407.744867	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+H+K"	39.970434
"1461282"	482.571767	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H+K"	39.970434
"250895"	1892.380026	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+ACN+H"	42.033826
"1216313"	967.206926	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+ACN+H"	42.033826
"1200197"	484.107101	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+ACN+2H"	43.041102
"199627"	1895.31736	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+2Na-H"	44.97116
"638093"	2820.49046	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+2Na-H"	44.97116
"1141601"	970.14426	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2Na-H"	44.97116
"183796"	948.162318	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+2Na"	45.978436
"626635"	1410.748868	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+2Na"	45.978436
"1124674"	485.575768	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2Na"	45.978436
"1402732"	324.052937333333	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H+2Na"	46.985712
"1435941"	972.185846	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H+HCOOH"	47.012746
"223815"	953.19534	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+3H2O+2H"	56.04448
"1514796"	986.23789	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+IsoProp+H"	61.06479
"412294"	956.149288	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+Na+K"	61.952376
"776574"	1418.735838	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+Na+K"	61.952376
"1675092"	493.562738	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Na+K"	61.952376
"261250"	1914.361968	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+ACN+Na"	64.015768
"1228862"	989.188868	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+ACN+Na"	64.015768
"1716654"	989.212393	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+NH4+HCOOH"	64.039293
"1183104"	331.380251333333	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+3Na"	68.967654
"1655182"	994.167788	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Na+HCOOH"	68.994688
"165324"	1927.26524	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+2K-H"	76.91904
"607072"	2852.43834	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+2K-H"	76.91904
"1097784"	1002.09214	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2K-H"	76.91904
"155936"	964.136258	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"2M+2K"	77.926316
"596842"	1426.722808	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"3M+2K"	77.926316
"1081223"	501.549708	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2K"	77.926316
"1106777"	1004.106692	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2K+H"	78.933592
"1349602"	1004.194307	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+DMSO+H"	79.021207
"1017165"	1008.233476	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2ACN+H"	83.060376
"1536385"	1009.227108	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+IsoProp+Na+H"	84.054008
"1001736"	504.620376	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+2ACN+2H"	84.067652
"1598427"	1010.141728	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+K+HCOOH"	84.968628
"1425180"	1040.173238	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+H+CF3COOH"	115.000138
"1162029"	525.133651	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+3ACN+2H"	125.094202
"1710487"	1057.199785	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+NH4+CF3COOH"	132.026685
"1640669"	1062.15518	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+Na+CF3COOH"	136.98208
"1575227"	1078.12912	"C06714"	"3-Hydroxypimeloyl-CoA;3-Hydroxypimelyl-CoA"	"C28H46N7O20P3S"	"925.1731"	"M+K+CF3COOH"	152.95602
"802435"	923.1575	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M"	0
"976941"	904.13911	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-H2O-H"	-19.01839
"63398"	614.431057333333	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M-3H"	-3.021828
"512398"	922.150224	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M-3H"	-3.021828
"891298"	306.711890666667	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-3H"	-3.021828
"4405"	922.150224	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M-2H"	-2.014552
"445057"	1383.728974	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M-2H"	-2.014552
"825043"	460.571474	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-2H"	-2.014552
"83945"	1845.307724	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M-H"	-1.007276
"526785"	2768.465224	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M-H"	-1.007276
"906772"	922.150224	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-H"	-1.007276
"54585"	1862.334271	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M-2H+NH4"	16.019271
"496333"	2785.491771	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M-2H+NH4"	16.019271
"871949"	939.176771	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-2H+NH4"	16.019271
"39850"	1867.289666	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M-2H+Na"	20.974666
"477221"	2790.447166	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M-2H+Na"	20.974666
"859406"	944.132166	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-2H+Na"	20.974666
"1626751"	944.132166	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Na-2H"	20.974666
"96721"	940.138563	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M-H+Cl"	33.962126
"537373"	1401.717313	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M-H+Cl"	33.962126
"930160"	478.559813	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-H+Cl"	33.962126
"269083"	1881.284402	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+Cl"	34.969402
"666246"	2804.441902	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+Cl"	34.969402
"1274639"	958.126902	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Cl"	34.969402
"16097"	1883.263606	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M-2H+K"	36.948606
"461860"	2806.421106	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M-2H+K"	36.948606
"835653"	960.106106	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-2H+K"	36.948606
"1559505"	960.106106	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+K-2H"	36.948606
"947388"	968.155694	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-H+HCOOH"	44.998194
"363781"	1891.313201	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+HCOOH-H"	44.998201
"350581"	1905.328851	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+Hac-H"	59.013851
"1498682"	982.171351	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Hac-H"	59.013851
"969141"	990.137651	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-H+NaCOOH"	66.980151
"116224"	958.126902	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+2Cl"	69.938804
"552503"	1419.705652	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+2Cl"	69.938804
"1022396"	496.548152	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2Cl"	69.938804
"1247443"	1002.076385	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Br"	78.918885
"1307704"	1004.132372	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Cl+HCOOH"	80.974872
"1327388"	1026.114329	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Cl+NaCOOH"	102.956829
"916260"	1036.143086	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M-H+CF3COOH"	112.985586
"1294063"	1072.119764	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Cl+CF3COOH"	148.962264
"1374414"	888.144824	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H-2H2O"	-35.012676
"1386443"	906.1548	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H-H2O"	-17.0027
"287593"	1847.322276	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+H"	1.007276
"688397"	2770.479776	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+H"	1.007276
"1356001"	924.164776	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H"	1.007276
"129984"	924.164776	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+2H"	2.014552
"569544"	1385.743526	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+2H"	2.014552
"1039797"	462.586026	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2H"	2.014552
"207094"	616.445609333333	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+3H"	3.021828
"645802"	924.164776	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+3H"	3.021828
"1164292"	308.726442666667	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+3H"	3.021828
"427565"	1864.348823	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+NH4"	18.033823
"788194"	2787.506323	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+NH4"	18.033823
"1686715"	941.191323	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+NH4"	18.033823
"337180"	932.6780495	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+H+NH4"	19.041099
"725227"	1394.2567995	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+H+NH4"	19.041099
"1482332"	471.0992995	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H+NH4"	19.041099
"396637"	1869.304218	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+Na"	22.989218
"754754"	2792.461718	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+Na"	22.989218
"1605733"	946.146718	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Na"	22.989218
"315769"	935.155747	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+H+Na"	23.996494
"710377"	1396.734497	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+H+Na"	23.996494
"1462253"	473.576997	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H+Na"	23.996494
"1059633"	316.053756666667	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2H+Na"	25.00377
"1265690"	956.190986	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+CH3OH+H"	33.033486
"386453"	1885.278158	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+K"	38.963158
"751461"	2808.435658	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+K"	38.963158
"1555347"	962.120658	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+K"	38.963158
"313895"	943.142717	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+H+K"	39.970434
"705304"	1404.721467	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+H+K"	39.970434
"1460215"	481.563967	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H+K"	39.970434
"249179"	1888.348826	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+ACN+H"	42.033826
"1216425"	965.191326	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+ACN+H"	42.033826
"1204682"	483.099301	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+ACN+2H"	43.041102
"199739"	1891.28616	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+2Na-H"	44.97116
"640392"	2814.44366	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+2Na-H"	44.97116
"1141711"	968.12866	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2Na-H"	44.97116
"186093"	946.146718	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+2Na"	45.978436
"621278"	1407.725468	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+2Na"	45.978436
"1122598"	484.567968	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2Na"	45.978436
"1402840"	323.381070666667	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H+2Na"	46.985712
"1436050"	970.170246	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H+HCOOH"	47.012746
"223561"	951.17974	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+3H2O+2H"	56.04448
"1513813"	984.22229	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+IsoProp+H"	61.06479
"412404"	954.133688	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+Na+K"	61.952376
"776684"	1415.712438	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+Na+K"	61.952376
"1674109"	492.554938	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Na+K"	61.952376
"264275"	1910.330768	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+ACN+Na"	64.015768
"1234439"	987.173268	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+ACN+Na"	64.015768
"1721138"	987.196793	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+NH4+HCOOH"	64.039293
"1183213"	330.708384666667	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+3Na"	68.967654
"1656386"	992.152188	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Na+HCOOH"	68.994688
"164341"	1923.23404	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+2K-H"	76.91904
"603901"	2846.39154	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+2K-H"	76.91904
"1096070"	1000.07654	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2K-H"	76.91904
"155925"	962.120658	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"2M+2K"	77.926316
"591353"	1423.699408	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"3M+2K"	77.926316
"1078052"	500.541908	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2K"	77.926316
"1106887"	1002.091092	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2K+H"	78.933592
"1346553"	1002.178707	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+DMSO+H"	79.021207
"1017275"	1006.217876	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2ACN+H"	83.060376
"1539046"	1007.211508	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+IsoProp+Na+H"	84.054008
"1001846"	503.612576	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+2ACN+2H"	84.067652
"1596350"	1008.126128	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+K+HCOOH"	84.968628
"1422010"	1038.157638	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+H+CF3COOH"	115.000138
"1161046"	524.125851	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+3ACN+2H"	125.094202
"1709503"	1055.184185	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+NH4+CF3COOH"	132.026685
"1640779"	1060.13958	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+Na+CF3COOH"	136.98208
"1575337"	1076.11352	"C06715"	"3-Oxopimeloyl-CoA;3-Ketopimelyl-CoA"	"C28H44N7O20P3S"	"923.1575"	"M+K+CF3COOH"	152.95602
"805704"	486.1519	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M"	0
"975958"	467.13351	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-H2O-H"	-19.01839
"65291"	323.093990666667	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M-3H"	-3.021828
"512508"	485.144624	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M-3H"	-3.021828
"885941"	161.043357333333	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-3H"	-3.021828
"2328"	485.144624	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M-2H"	-2.014552
"445167"	728.220574	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M-2H"	-2.014552
"827340"	242.068674	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-2H"	-2.014552
"87331"	971.296524	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M-H"	-1.007276
"525802"	1457.448424	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M-H"	-1.007276
"903602"	485.144624	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-H"	-1.007276
"54695"	988.323071	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M-2H+NH4"	16.019271
"496443"	1474.474971	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M-2H+NH4"	16.019271
"870964"	502.171171	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-2H+NH4"	16.019271
"39959"	993.278466	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M-2H+Na"	20.974666
"475508"	1479.430366	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M-2H+Na"	20.974666
"861702"	507.126566	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-2H+Na"	20.974666
"1626862"	507.126566	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Na-2H"	20.974666
"99018"	503.132963	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M-H+Cl"	33.962126
"538577"	746.208913	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M-H+Cl"	33.962126
"929906"	260.057013	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-H+Cl"	33.962126
"268829"	1007.273202	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+Cl"	34.969402
"663440"	1493.425102	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+Cl"	34.969402
"1273656"	521.121302	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Cl"	34.969402
"15811"	1009.252406	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M-2H+K"	36.948606
"461970"	1495.404306	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M-2H+K"	36.948606
"836857"	523.100506	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-2H+K"	36.948606
"1562167"	523.100506	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+K-2H"	36.948606
"946771"	531.150094	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-H+HCOOH"	44.998194
"364621"	1017.302001	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+HCOOH-H"	44.998201
"348870"	1031.317651	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+Hac-H"	59.013851
"1498794"	545.165751	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Hac-H"	59.013851
"968522"	553.132051	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-H+NaCOOH"	66.980151
"117428"	521.121302	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+2Cl"	69.938804
"554800"	764.197252	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+2Cl"	69.938804
"1025786"	278.045352	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2Cl"	69.938804
"1247553"	565.070785	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Br"	78.918885
"1313282"	567.126772	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Cl+HCOOH"	80.974872
"1324217"	589.108729	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Cl+NaCOOH"	102.956829
"916370"	599.137486	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M-H+CF3COOH"	112.985586
"1297453"	635.114164	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Cl+CF3COOH"	148.962264
"1375617"	451.139224	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H-2H2O"	-35.012676
"1385458"	469.1492	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H-H2O"	-17.0027
"292803"	973.311076	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+H"	1.007276
"687414"	1459.462976	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+H"	1.007276
"1356111"	487.159176	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H"	1.007276
"130094"	487.159176	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+2H"	2.014552
"569654"	730.235126	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+2H"	2.014552
"1041731"	244.083226	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2H"	2.014552
"207448"	325.108542666667	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+3H"	3.021828
"648464"	487.159176	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+3H"	3.021828
"1165497"	163.057909333333	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+3H"	3.021828
"429498"	990.337623	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+NH4"	18.033823
"788669"	1476.489523	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+NH4"	18.033823
"1686825"	504.185723	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+NH4"	18.033823
"336197"	495.6724495	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+H+NH4"	19.041099
"727524"	738.7483995	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+H+NH4"	19.041099
"1480255"	252.5964995	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H+NH4"	19.041099
"396747"	995.293018	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+Na"	22.989218
"756647"	1481.444918	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+Na"	22.989218
"1603655"	509.141118	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Na"	22.989218
"319159"	498.150147	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+H+Na"	23.996494
"710487"	741.226097	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+H+Na"	23.996494
"1461632"	255.074197	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H+Na"	23.996494
"1061930"	170.385223333333	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2H+Na"	25.00377
"1266894"	519.185386	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+CH3OH+H"	33.033486
"384376"	1011.266958	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+K"	38.963158
"752908"	1497.418858	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+K"	38.963158
"1553995"	525.115058	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+K"	38.963158
"313844"	506.137117	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+H+K"	39.970434
"704684"	749.213067	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+H+K"	39.970434
"1458501"	263.061167	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H+K"	39.970434
"249289"	1014.337626	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+ACN+H"	42.033826
"1216537"	528.185726	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+ACN+H"	42.033826
"1201512"	264.596501	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+ACN+2H"	43.041102
"193289"	1017.27496	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+2Na-H"	44.97116
"637222"	1503.42686	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+2Na-H"	44.97116
"1138541"	531.12306	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2Na-H"	44.97116
"182923"	509.141118	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+2Na"	45.978436
"622480"	752.217068	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+2Na"	45.978436
"1121613"	266.065168	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2Na"	45.978436
"1400035"	177.712537333333	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H+2Na"	46.985712
"1433974"	533.164646	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H+HCOOH"	47.012746
"223671"	514.17414	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+3H2O+2H"	56.04448
"1509908"	547.21669	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+IsoProp+H"	61.06479
"412514"	517.128088	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+Na+K"	61.952376
"773512"	760.204038	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+Na+K"	61.952376
"1674219"	274.052138	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Na+K"	61.952376
"261469"	1036.319568	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+ACN+Na"	64.015768
"1230176"	550.167668	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+ACN+Na"	64.015768
"1716875"	550.191193	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+NH4+HCOOH"	64.039293
"1181135"	185.039851333333	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+3Na"	68.967654
"1656496"	555.146588	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Na+HCOOH"	68.994688
"162264"	1049.22284	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+2K-H"	76.91904
"600731"	1535.37474	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+2K-H"	76.91904
"1092900"	563.07094	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2K-H"	76.91904
"156277"	525.115058	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"2M+2K"	77.926316
"590370"	768.191008	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"3M+2K"	77.926316
"1074882"	282.039108	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2K"	77.926316
"1103715"	565.085492	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2K+H"	78.933592
"1346663"	565.173107	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+DMSO+H"	79.021207
"1017385"	569.212276	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2ACN+H"	83.060376
"1535508"	570.205908	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+IsoProp+Na+H"	84.054008
"1000863"	285.109776	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+2ACN+2H"	84.067652
"1596460"	571.120528	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+K+HCOOH"	84.968628
"1422120"	601.152038	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+H+CF3COOH"	115.000138
"1160063"	305.623051	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+3ACN+2H"	125.094202
"1709613"	618.178585	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+NH4+CF3COOH"	132.026685
"1637609"	623.13398	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+Na+CF3COOH"	136.98208
"1575447"	639.10792	"C06717"	"Mycothiol"	"C17H30N2O12S"	"486.1519"	"M+K+CF3COOH"	152.95602
"803627"	514.1469	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M"	0
"978254"	495.12851	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-H2O-H"	-19.01839
"65401"	341.757324	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M-3H"	-3.021828
"512618"	513.139624	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M-3H"	-3.021828
"889331"	170.375024	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-3H"	-3.021828
"6811"	513.139624	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M-2H"	-2.014552
"449650"	770.213074	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M-2H"	-2.014552
"828543"	256.066174	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-2H"	-2.014552
"87441"	1027.286524	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M-H"	-1.007276
"528097"	1541.433424	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M-H"	-1.007276
"901523"	513.139624	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-H"	-1.007276
"56992"	1044.313071	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M-2H+NH4"	16.019271
"494364"	1558.459971	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M-2H+NH4"	16.019271
"872167"	530.166171	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-2H+NH4"	16.019271
"40070"	1049.268466	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M-2H+Na"	20.974666
"477441"	1563.415366	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M-2H+Na"	20.974666
"858533"	535.121566	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-2H+Na"	20.974666
"1626972"	535.121566	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Na-2H"	20.974666
"101316"	531.127963	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M-H+Cl"	33.962126
"540874"	788.201413	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M-H+Cl"	33.962126
"931111"	274.054513	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-H+Cl"	33.962126
"269670"	1063.263202	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+Cl"	34.969402
"668653"	1577.410102	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+Cl"	34.969402
"1273765"	549.116302	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Cl"	34.969402
"16521"	1065.242406	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M-2H+K"	36.948606
"462080"	1579.389306	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M-2H+K"	36.948606
"842070"	551.095506	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-2H+K"	36.948606
"1564464"	551.095506	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+K-2H"	36.948606
"950161"	559.145094	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-H+HCOOH"	44.998194
"366190"	1073.292001	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+HCOOH-H"	44.998201
"354447"	1087.307651	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+Hac-H"	59.013851
"1498904"	573.160751	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Hac-H"	59.013851
"970091"	581.127051	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-H+NaCOOH"	66.980151
"117538"	549.116302	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+2Cl"	69.938804
"554910"	806.189752	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+2Cl"	69.938804
"1028083"	292.042852	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2Cl"	69.938804
"1252038"	593.065785	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Br"	78.918885
"1316309"	595.121772	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Cl+HCOOH"	80.974872
"1330889"	617.103729	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Cl+NaCOOH"	102.956829
"920856"	627.132486	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M-H+CF3COOH"	112.985586
"1298658"	663.109164	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Cl+CF3COOH"	148.962264
"1375727"	479.134224	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H-2H2O"	-35.012676
"1389943"	497.1442	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H-H2O"	-17.0027
"294008"	1029.301076	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+H"	1.007276
"683147"	1543.447976	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+H"	1.007276
"1357314"	515.154176	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H"	1.007276
"131298"	515.154176	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+2H"	2.014552
"572680"	772.227626	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+2H"	2.014552
"1044029"	258.080726	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2H"	2.014552
"214115"	343.771876	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+3H"	3.021828
"650398"	515.154176	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+3H"	3.021828
"1167430"	172.389576	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+3H"	3.021828
"427785"	1046.327623	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+NH4"	18.033823
"788416"	1560.474523	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+NH4"	18.033823
"1689122"	532.180723	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+NH4"	18.033823
"337400"	523.6674495	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+H+NH4"	19.041099
"728728"	780.7408995	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+H+NH4"	19.041099
"1480365"	266.5939995	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H+NH4"	19.041099
"395765"	1051.283018	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+Na"	22.989218
"757486"	1565.429918	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+Na"	22.989218
"1605952"	537.136118	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Na"	22.989218
"322551"	526.145147	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+H+Na"	23.996494
"714972"	783.218597	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+H+Na"	23.996494
"1465512"	269.071697	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H+Na"	23.996494
"1057665"	179.71689	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2H+Na"	25.00377
"1264818"	547.180386	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+CH3OH+H"	33.033486
"382299"	1067.256958	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+K"	38.963158
"752045"	1581.403858	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+K"	38.963158
"1554104"	553.110058	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+K"	38.963158
"314132"	534.132117	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+H+K"	39.970434
"705158"	791.205567	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+H+K"	39.970434
"1458611"	277.058667	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H+K"	39.970434
"248671"	1070.327626	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+ACN+H"	42.033826
"1218833"	556.180726	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+ACN+H"	42.033826
"1203810"	278.594001	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+ACN+2H"	43.041102
"195587"	1073.26496	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+2Na-H"	44.97116
"638426"	1587.41186	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+2Na-H"	44.97116
"1142297"	559.11806	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2Na-H"	44.97116
"183401"	537.136118	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+2Na"	45.978436
"623321"	794.209568	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+2Na"	45.978436
"1122817"	280.062668	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2Na"	45.978436
"1403424"	187.044204	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H+2Na"	46.985712
"1435177"	561.159646	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H+HCOOH"	47.012746
"223048"	542.16914	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+3H2O+2H"	56.04448
"1509532"	575.21169	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+IsoProp+H"	61.06479
"414446"	545.123088	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+Na+K"	61.952376
"773623"	802.196538	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+Na+K"	61.952376
"1673965"	288.049638	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Na+K"	61.952376
"259393"	1092.309568	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+ACN+Na"	64.015768
"1229191"	578.162668	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+ACN+Na"	64.015768
"1720265"	578.186193	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+NH4+HCOOH"	64.039293
"1181974"	194.371518	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+3Na"	68.967654
"1658792"	583.141588	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Na+HCOOH"	68.994688
"168934"	1105.21284	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+2K-H"	76.91904
"600841"	1619.35974	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+2K-H"	76.91904
"1093010"	591.06594	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2K-H"	76.91904
"146546"	553.110058	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"2M+2K"	77.926316
"590480"	810.183508	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"3M+2K"	77.926316
"1078271"	296.036608	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2K"	77.926316
"1103096"	593.080492	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2K+H"	78.933592
"1349327"	593.168107	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+DMSO+H"	79.021207
"1019439"	597.207276	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2ACN+H"	83.060376
"1536711"	598.200908	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+IsoProp+Na+H"	84.054008
"1004619"	299.107276	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+2ACN+2H"	84.067652
"1595477"	599.115528	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+K+HCOOH"	84.968628
"1425510"	629.147038	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+H+CF3COOH"	115.000138
"1159079"	319.620551	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+3ACN+2H"	125.094202
"1709723"	646.173585	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+NH4+CF3COOH"	132.026685
"1637719"	651.12898	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+Na+CF3COOH"	136.98208
"1575557"	667.10292	"C06718"	"S-Formylmycothiol"	"C18H30N2O13S"	"514.1469"	"M+K+CF3COOH"	152.95602
"805925"	128.0473	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M"	0
"982739"	109.02891	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-H2O-H"	-19.01839
"66605"	84.3575906666667	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M-3H"	-3.021828
"509447"	127.040024	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M-3H"	-3.021828
"887252"	41.6751573333333	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-3H"	-3.021828
"641"	127.040024	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M-2H"	-2.014552
"443199"	191.063674	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M-2H"	-2.014552
"825373"	63.016374	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-2H"	-2.014552
"88645"	255.087324	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M-H"	-1.007276
"527114"	383.134624	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M-H"	-1.007276
"909289"	127.040024	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-H"	-1.007276
"61964"	272.113871	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M-2H+NH4"	16.019271
"498848"	400.161171	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M-2H+NH4"	16.019271
"873368"	144.066571	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-2H+NH4"	16.019271
"40179"	277.069266	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M-2H+Na"	20.974666
"478645"	405.116566	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M-2H+Na"	20.974666
"857549"	149.021966	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-2H+Na"	20.974666
"1628177"	149.021966	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Na-2H"	20.974666
"101424"	145.028363	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M-H+Cl"	33.962126
"536610"	209.052013	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M-H+Cl"	33.962126
"929397"	81.004713	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-H+Cl"	33.962126
"273061"	291.064002	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+Cl"	34.969402
"664389"	419.111302	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+Cl"	34.969402
"1274605"	163.016702	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Cl"	34.969402
"20442"	293.043206	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M-2H+K"	36.948606
"461097"	421.090506	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M-2H+K"	36.948606
"835621"	164.995906	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-2H+K"	36.948606
"1562387"	164.995906	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+K-2H"	36.948606
"950272"	173.045494	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-H+HCOOH"	44.998194
"366300"	301.092801	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+HCOOH-H"	44.998201
"352370"	315.108451	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+Hac-H"	59.013851
"1501200"	187.061151	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Hac-H"	59.013851
"967649"	195.027451	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-H+NaCOOH"	66.980151
"119835"	163.016702	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+2Cl"	69.938804
"556113"	227.040352	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+2Cl"	69.938804
"1029288"	98.993052	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2Cl"	69.938804
"1251055"	206.966185	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Br"	78.918885
"1314596"	209.022172	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Cl+HCOOH"	80.974872
"1329907"	231.004129	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Cl+NaCOOH"	102.956829
"920965"	241.032886	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M-H+CF3COOH"	112.985586
"1295486"	277.009564	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Cl+CF3COOH"	148.962264
"1374744"	93.034624	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H-2H2O"	-35.012676
"1394427"	111.0446	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H-H2O"	-17.0027
"293023"	257.101876	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+H"	1.007276
"685444"	385.149176	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+H"	1.007276
"1354505"	129.054576	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H"	1.007276
"132500"	129.054576	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+2H"	2.014552
"573153"	193.078226	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+2H"	2.014552
"1046325"	65.030926	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2H"	2.014552
"209851"	86.3721426666667	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+3H"	3.021828
"652696"	129.054576	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+3H"	3.021828
"1167540"	43.6897093333333	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+3H"	3.021828
"430811"	274.128423	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+NH4"	18.033823
"788525"	402.175723	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+NH4"	18.033823
"1689232"	146.081123	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+NH4"	18.033823
"335322"	137.5678495	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+H+NH4"	19.041099
"727014"	201.5914995	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+H+NH4"	19.041099
"1480475"	73.5441995	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H+NH4"	19.041099
"396968"	279.083818	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+Na"	22.989218
"757964"	407.131118	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+Na"	22.989218
"1609344"	151.036518	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Na"	22.989218
"327036"	140.045547	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+H+Na"	23.996494
"717999"	204.069197	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+H+Na"	23.996494
"1469998"	76.021897	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H+Na"	23.996494
"1062149"	51.0170233333333	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2H+Na"	25.00377
"1263831"	161.080786	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+CH3OH+H"	33.033486
"383501"	295.057758	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+K"	38.963158
"752520"	423.105058	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+K"	38.963158
"1555189"	167.010458	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+K"	38.963158
"312969"	148.032517	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+H+K"	39.970434
"704174"	212.056167	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+H+K"	39.970434
"1460913"	84.008867	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H+K"	39.970434
"249509"	298.128426	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+ACN+H"	42.033826
"1217849"	170.081126	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+ACN+H"	42.033826
"1205014"	85.544201	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+ACN+2H"	43.041102
"196790"	301.06576	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+2Na-H"	44.97116
"640724"	429.11306	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+2Na-H"	44.97116
"1144959"	173.01846	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2Na-H"	44.97116
"183876"	151.036518	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+2Na"	45.978436
"624894"	215.060168	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+2Na"	45.978436
"1124022"	87.012868	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2Na"	45.978436
"1405358"	58.3443373333333	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H+2Na"	46.985712
"1436382"	175.060046	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H+HCOOH"	47.012746
"224984"	156.06954	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+3H2O+2H"	56.04448
"1510858"	189.11209	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+IsoProp+H"	61.06479
"416013"	159.023488	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+Na+K"	61.952376
"778473"	223.047138	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+Na+K"	61.952376
"1673711"	94.999838	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Na+K"	61.952376
"257680"	320.110368	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+ACN+Na"	64.015768
"1231486"	192.063068	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+ACN+Na"	64.015768
"1719280"	192.086593	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+NH4+HCOOH"	64.039293
"1182446"	65.6716513333333	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+3Na"	68.967654
"1656714"	197.041988	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Na+HCOOH"	68.994688
"161390"	333.01364	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+2K-H"	76.91904
"600951"	461.06094	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+2K-H"	76.91904
"1089839"	204.96634	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2K-H"	76.91904
"144468"	167.010458	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"2M+2K"	77.926316
"587309"	231.034108	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"3M+2K"	77.926316
"1075101"	102.986808	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2K"	77.926316
"1103935"	206.980892	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2K+H"	78.933592
"1349800"	207.068507	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+DMSO+H"	79.021207
"1017605"	211.107676	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2ACN+H"	83.060376
"1535728"	212.101308	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+IsoProp+Na+H"	84.054008
"1004608"	106.057476	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+2ACN+2H"	84.067652
"1596680"	213.015928	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+K+HCOOH"	84.968628
"1425621"	243.047438	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+H+CF3COOH"	115.000138
"1160283"	126.570751	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+3ACN+2H"	125.094202
"1708740"	260.073985	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+NH4+CF3COOH"	132.026685
"1637829"	265.02938	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+Na+CF3COOH"	136.98208
"1575667"	281.00332	"C06719"	"Dihydrophloroglucinol"	"C6H8O3"	"128.0473"	"M+K+CF3COOH"	152.95602
"803118"	170.0579	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M"	0
"977381"	151.03951	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H2O-H"	-19.01839
"64528"	112.364657333333	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-3H"	-3.021828
"508464"	169.050624	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-3H"	-3.021828
"889549"	55.6786906666667	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-3H"	-3.021828
"1075"	169.050624	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H"	-2.014552
"446589"	254.079574	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H"	-2.014552
"824390"	84.021674	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H"	-2.014552
"85475"	339.108524	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-H"	-1.007276
"523944"	509.166424	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-H"	-1.007276
"905025"	169.050624	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H"	-1.007276
"56118"	356.135071	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H+NH4"	16.019271
"493491"	526.192971	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H+NH4"	16.019271
"866918"	186.077171	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H+NH4"	16.019271
"40289"	361.090466	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H+Na"	20.974666
"479849"	531.148366	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H+Na"	20.974666
"854370"	191.032566	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H+Na"	20.974666
"1620255"	191.032566	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na-2H"	20.974666
"96059"	187.038963	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-H+Cl"	33.962126
"535372"	272.067913	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-H+Cl"	33.962126
"929144"	102.010013	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+Cl"	33.962126
"269891"	375.085202	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Cl"	34.969402
"663406"	545.143102	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+Cl"	34.969402
"1277995"	205.027302	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl"	34.969402
"19458"	377.064406	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H+K"	36.948606
"461207"	547.122306	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H+K"	36.948606
"839011"	207.006506	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H+K"	36.948606
"1561404"	207.006506	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K-2H"	36.948606
"950382"	215.056094	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+HCOOH"	44.998194
"366410"	385.114001	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+HCOOH-H"	44.998201
"347741"	399.129651	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Hac-H"	59.013851
"1500217"	229.071751	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Hac-H"	59.013851
"968851"	237.038051	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+NaCOOH"	66.980151
"117758"	205.027302	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2Cl"	69.938804
"556223"	290.056252	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2Cl"	69.938804
"1029397"	119.998352	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2Cl"	69.938804
"1250069"	248.976785	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Br"	78.918885
"1313612"	251.032772	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl+HCOOH"	80.974872
"1330017"	273.014729	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl+NaCOOH"	102.956829
"919983"	283.043486	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+CF3COOH"	112.985586
"1297785"	319.020164	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl+CF3COOH"	148.962264
"1374854"	135.045224	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H-2H2O"	-35.012676
"1394174"	153.0552	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H-H2O"	-17.0027
"288758"	341.123076	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H"	1.007276
"683367"	511.180976	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H"	1.007276
"1362635"	171.065176	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H"	1.007276
"135524"	171.065176	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2H"	2.014552
"574355"	256.094126	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2H"	2.014552
"1046435"	86.036226	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2H"	2.014552
"209961"	114.379209333333	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+3H"	3.021828
"652806"	171.065176	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+3H"	3.021828
"1168014"	57.6932426666667	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+3H"	3.021828
"428005"	358.149623	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+NH4"	18.033823
"789727"	528.207523	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+NH4"	18.033823
"1689342"	188.091723	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+NH4"	18.033823
"334703"	179.5784495	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H+NH4"	19.041099
"727853"	264.6073995	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H+NH4"	19.041099
"1482773"	94.5494995	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+NH4"	19.041099
"397080"	363.105018	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Na"	22.989218
"760262"	533.162918	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+Na"	22.989218
"1615652"	193.047118	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na"	22.989218
"327876"	182.056147	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H+Na"	23.996494
"719567"	267.085097	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H+Na"	23.996494
"1470109"	97.027197	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+Na"	23.996494
"1058980"	65.0205566666667	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2H+Na"	25.00377
"1265037"	203.091386	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+CH3OH+H"	33.033486
"381424"	379.078958	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+K"	38.963158
"750078"	549.136858	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+K"	38.963158
"1555097"	209.021058	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K"	38.963158
"313685"	190.043117	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H+K"	39.970434
"703555"	275.072067	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H+K"	39.970434
"1461023"	105.014167	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+K"	39.970434
"249619"	382.149626	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+ACN+H"	42.033826
"1223422"	212.091726	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+ACN+H"	42.033826
"1199656"	106.549501	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+ACN+2H"	43.041102
"195805"	385.08696	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2Na-H"	44.97116
"637551"	555.14486	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2Na-H"	44.97116
"1141787"	215.02906	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2Na-H"	44.97116
"183256"	193.047118	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2Na"	45.978436
"625731"	278.076068	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2Na"	45.978436
"1124132"	108.018168	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2Na"	45.978436
"1410572"	72.3478706666667	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+2Na"	46.985712
"1435398"	217.070646	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+HCOOH"	47.012746
"223999"	198.08014	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+3H2O+2H"	56.04448
"1511334"	231.12269	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+IsoProp+H"	61.06479
"412844"	201.034088	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Na+K"	61.952376
"781499"	286.063038	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+Na+K"	61.952376
"1674549"	116.005138	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na+K"	61.952376
"259977"	404.131568	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+ACN+Na"	64.015768
"1229775"	234.073668	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+ACN+Na"	64.015768
"1718297"	234.097193	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+NH4+HCOOH"	64.039293
"1183651"	79.6751846666667	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+3Na"	68.967654
"1659011"	239.052588	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na+HCOOH"	68.994688
"163687"	417.03484	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2K-H"	76.91904
"601425"	587.09274	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2K-H"	76.91904
"1089949"	246.97694	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2K-H"	76.91904
"150045"	209.021058	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2K"	77.926316
"590699"	294.050008	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2K"	77.926316
"1075211"	123.992108	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2K"	77.926316
"1105139"	248.991492	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2K+H"	78.933592
"1350031"	249.079107	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+DMSO+H"	79.021207
"1020389"	253.118276	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2ACN+H"	83.060376
"1539121"	254.111908	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+IsoProp+Na+H"	84.054008
"1004842"	127.062776	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2ACN+2H"	84.067652
"1596790"	255.026528	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K+HCOOH"	84.968628
"1425731"	285.058038	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+CF3COOH"	115.000138
"1160394"	147.576051	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+3ACN+2H"	125.094202
"1708850"	302.084585	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+NH4+CF3COOH"	132.026685
"1637939"	307.03998	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na+CF3COOH"	136.98208
"1575777"	323.01392	"C06720"	"16-Dihydroxy-5-methylcyclohexa-24-dienecarboxylate;12-Dihydroxy-3-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K+CF3COOH"	152.95602
"802864"	218.0402	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M"	0
"977491"	199.02181	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-H2O-H"	-19.01839
"64636"	144.352857333333	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M-3H"	-3.021828
"509667"	217.032924	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M-3H"	-3.021828
"888567"	71.6727906666667	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-3H"	-3.021828
"3859"	217.032924	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M-2H"	-2.014552
"448886"	326.053024	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M-2H"	-2.014552
"826687"	108.012824	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-2H"	-2.014552
"83398"	435.073124	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M-H"	-1.007276
"527334"	653.113324	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M-H"	-1.007276
"909144"	217.032924	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-H"	-1.007276
"54041"	452.099671	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M-2H+NH4"	16.019271
"493601"	670.139871	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M-2H+NH4"	16.019271
"868849"	234.059471	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-2H+NH4"	16.019271
"41493"	457.055066	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M-2H+Na"	20.974666
"478866"	675.095266	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M-2H+Na"	20.974666
"853386"	239.014866	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-2H+Na"	20.974666
"1622188"	239.014866	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Na-2H"	20.974666
"96531"	235.021263	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M-H+Cl"	33.962126
"535362"	344.041363	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M-H+Cl"	33.962126
"931441"	126.001163	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-H+Cl"	33.962126
"270001"	471.049802	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+Cl"	34.969402
"666796"	689.090002	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+Cl"	34.969402
"1278105"	253.009602	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Cl"	34.969402
"20662"	473.029006	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M-2H+K"	36.948606
"461317"	691.069206	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M-2H+K"	36.948606
"834868"	254.988806	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-2H+K"	36.948606
"1561514"	254.988806	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+K-2H"	36.948606
"950491"	263.038394	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-H+HCOOH"	44.998194
"368704"	481.078601	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+HCOOH-H"	44.998201
"352586"	495.094251	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+Hac-H"	59.013851
"1500326"	277.054051	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Hac-H"	59.013851
"961305"	285.020351	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-H+NaCOOH"	66.980151
"118960"	253.009602	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+2Cl"	69.938804
"552323"	362.029702	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+2Cl"	69.938804
"1032789"	143.989502	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2Cl"	69.938804
"1251273"	296.959085	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Br"	78.918885
"1313723"	299.015072	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Cl+HCOOH"	80.974872
"1330127"	320.997029	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Cl+NaCOOH"	102.956829
"920093"	331.025786	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M-H+CF3COOH"	112.985586
"1297895"	367.002464	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Cl+CF3COOH"	148.962264
"1377151"	183.027524	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H-2H2O"	-35.012676
"1395744"	201.0375	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H-H2O"	-17.0027
"288868"	437.087676	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+H"	1.007276
"687853"	655.127876	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+H"	1.007276
"1363475"	219.047476	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H"	1.007276
"133811"	219.047476	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+2H"	2.014552
"577382"	328.067576	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+2H"	2.014552
"1044357"	110.027376	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2H"	2.014552
"211164"	146.367409333333	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+3H"	3.021828
"649632"	219.047476	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+3H"	3.021828
"1166663"	73.6873426666667	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+3H"	3.021828
"432124"	454.114223	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+NH4"	18.033823
"793118"	672.154423	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+NH4"	18.033823
"1687265"	236.074023	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+NH4"	18.033823
"336637"	227.5607495	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+H+NH4"	19.041099
"725776"	336.5808495	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+H+NH4"	19.041099
"1483977"	118.5406495	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H+NH4"	19.041099
"398283"	459.069618	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+Na"	22.989218
"766932"	677.109818	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+Na"	22.989218
"1613938"	241.029418	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Na"	22.989218
"328597"	230.038447	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+H+Na"	23.996494
"719677"	339.058547	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+H+Na"	23.996494
"1468031"	121.018347	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H+Na"	23.996494
"1064557"	81.0146566666667	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2H+Na"	25.00377
"1258581"	251.073686	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+CH3OH+H"	33.033486
"383716"	475.043558	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+K"	38.963158
"748001"	693.083758	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+K"	38.963158
"1555535"	257.003358	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+K"	38.963158
"313429"	238.025417	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+H+K"	39.970434
"705486"	347.045517	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+H+K"	39.970434
"1458576"	129.005317	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H+K"	39.970434
"249974"	478.114226	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+ACN+H"	42.033826
"1223533"	260.074026	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+ACN+H"	42.033826
"1197580"	130.540651	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+ACN+2H"	43.041102
"192638"	481.05156	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+2Na-H"	44.97116
"636571"	699.09176	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+2Na-H"	44.97116
"1140074"	263.01136	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2Na-H"	44.97116
"182272"	241.029418	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+2Na"	45.978436
"621831"	350.049518	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+2Na"	45.978436
"1120963"	132.009318	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2Na"	45.978436
"1405581"	88.3419706666667	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H+2Na"	46.985712
"1439519"	265.052946	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H+HCOOH"	47.012746
"230305"	246.06244	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+3H2O+2H"	56.04448
"1511437"	279.10499	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+IsoProp+H"	61.06479
"411861"	249.016388	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+Na+K"	61.952376
"779421"	358.036488	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+Na+K"	61.952376
"1674659"	139.996288	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Na+K"	61.952376
"256807"	500.096168	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+ACN+Na"	64.015768
"1230249"	282.055968	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+ACN+Na"	64.015768
"1720593"	282.079493	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+NH4+HCOOH"	64.039293
"1182302"	95.6692846666667	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+3Na"	68.967654
"1656934"	287.034888	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Na+HCOOH"	68.994688
"161974"	512.99944	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+2K-H"	76.91904
"604451"	731.03964	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+2K-H"	76.91904
"1093339"	294.95924	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2K-H"	76.91904
"150155"	257.003358	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"2M+2K"	77.926316
"594089"	366.023458	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"3M+2K"	77.926316
"1078601"	147.983258	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2K"	77.926316
"1105249"	296.973792	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2K+H"	78.933592
"1350383"	297.061407	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+DMSO+H"	79.021207
"1019889"	301.100576	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2ACN+H"	83.060376
"1538501"	302.094208	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+IsoProp+Na+H"	84.054008
"1005191"	151.053926	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+2ACN+2H"	84.067652
"1597992"	303.008828	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+K+HCOOH"	84.968628
"1425841"	333.040338	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+H+CF3COOH"	115.000138
"1160504"	171.567201	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+3ACN+2H"	125.094202
"1706772"	350.066885	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+NH4+CF3COOH"	132.026685
"1635862"	355.02228	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+Na+CF3COOH"	136.98208
"1572971"	370.99622	"C06721"	"cis-12-Dihydroxy-12-dihydrodibenzothiophene"	"C12H10O2S"	"218.0402"	"M+K+CF3COOH"	152.95602
"809535"	216.0245	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M"	0
"977601"	197.00611	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-H2O-H"	-19.01839
"64017"	143.009057333333	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M-3H"	-3.021828
"514152"	215.017224	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M-3H"	-3.021828
"889770"	71.0008906666667	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-3H"	-3.021828
"8345"	215.017224	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M-2H"	-2.014552
"450092"	323.029474	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M-2H"	-2.014552
"827893"	107.004974	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-2H"	-2.014552
"86789"	431.041724	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M-H"	-1.007276
"528540"	647.066224	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M-H"	-1.007276
"907432"	215.017224	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-H"	-1.007276
"54151"	448.068271	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M-2H+NH4"	16.019271
"494803"	664.092771	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M-2H+NH4"	16.019271
"870420"	232.043771	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-2H+NH4"	16.019271
"37226"	453.023666	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M-2H+Na"	20.974666
"478976"	669.048166	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M-2H+Na"	20.974666
"854591"	236.999166	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-2H+Na"	20.974666
"1625576"	236.999166	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Na-2H"	20.974666
"96641"	233.005563	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M-H+Cl"	33.962126
"535836"	341.017813	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M-H+Cl"	33.962126
"933739"	124.993313	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-H+Cl"	33.962126
"271200"	467.018402	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+Cl"	34.969402
"663624"	683.042902	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+Cl"	34.969402
"1278215"	250.993902	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Cl"	34.969402
"24052"	468.997606	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M-2H+K"	36.948606
"461427"	685.022106	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M-2H+K"	36.948606
"839232"	252.973106	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-2H+K"	36.948606
"1559438"	252.973106	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+K-2H"	36.948606
"954975"	261.022694	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-H+HCOOH"	44.998194
"373189"	477.047201	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+HCOOH-H"	44.998201
"355977"	491.062851	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+Hac-H"	59.013851
"1500436"	275.038351	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Hac-H"	59.013851
"961415"	283.004651	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-H+NaCOOH"	66.980151
"115790"	250.993902	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+2Cl"	69.938804
"556442"	359.006152	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+2Cl"	69.938804
"1024151"	142.981652	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2Cl"	69.938804
"1248103"	294.943385	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Br"	78.918885
"1314927"	296.999372	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Cl+HCOOH"	80.974872
"1328051"	318.981329	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Cl+NaCOOH"	102.956829
"922390"	329.010086	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M-H+CF3COOH"	112.985586
"1298005"	364.986764	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Cl+CF3COOH"	148.962264
"1376168"	181.011824	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H-2H2O"	-35.012676
"1394760"	199.0218	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H-H2O"	-17.0027
"287885"	433.056276	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+H"	1.007276
"689791"	649.080776	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+H"	1.007276
"1363587"	217.031776	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H"	1.007276
"138299"	217.031776	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+2H"	2.014552
"575305"	325.044026	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+2H"	2.014552
"1046655"	109.019526	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2H"	2.014552
"212367"	145.023609333333	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+3H"	3.021828
"653022"	217.031776	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+3H"	3.021828
"1171148"	73.0154426666667	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+3H"	3.021828
"434420"	450.082823	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+NH4"	18.033823
"793228"	666.107323	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+NH4"	18.033823
"1685189"	234.058323	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+NH4"	18.033823
"336747"	225.5450495	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+H+NH4"	19.041099
"724794"	333.5572995	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+H+NH4"	19.041099
"1482995"	117.5327995	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H+NH4"	19.041099
"400582"	455.038218	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+Na"	22.989218
"767045"	671.062718	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+Na"	22.989218
"1614779"	239.013718	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Na"	22.989218
"327731"	228.022747	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+H+Na"	23.996494
"717601"	336.034997	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+H+Na"	23.996494
"1471422"	120.010497	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H+Na"	23.996494
"1061387"	80.3427566666667	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2H+Na"	25.00377
"1260879"	249.057986	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+CH3OH+H"	33.033486
"381638"	471.012158	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+K"	38.963158
"747018"	687.036658	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+K"	38.963158
"1555272"	254.987658	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+K"	38.963158
"313903"	236.009717	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+H+K"	39.970434
"705596"	344.021967	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+H+K"	39.970434
"1460631"	127.997467	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H+K"	39.970434
"249718"	474.082826	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+ACN+H"	42.033826
"1222547"	258.058326	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+ACN+H"	42.033826
"1197691"	129.532801	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+ACN+2H"	43.041102
"194935"	477.02016	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+2Na-H"	44.97116
"638869"	693.04466	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+2Na-H"	44.97116
"1137999"	260.99566	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2Na-H"	44.97116
"180197"	239.013718	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+2Na"	45.978436
"619756"	347.025968	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+2Na"	45.978436
"1121074"	131.001468	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2Na"	45.978436
"1405690"	87.6700706666667	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H+2Na"	46.985712
"1436715"	263.037246	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H+HCOOH"	47.012746
"225311"	244.04674	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+3H2O+2H"	56.04448
"1510095"	277.08929	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+IsoProp+H"	61.06479
"419265"	247.000688	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+Na+K"	61.952376
"781719"	355.012938	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+Na+K"	61.952376
"1677686"	138.988438	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Na+K"	61.952376
"255824"	496.064768	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+ACN+Na"	64.015768
"1230725"	280.040268	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+ACN+Na"	64.015768
"1717423"	280.063793	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+NH4+HCOOH"	64.039293
"1184963"	94.9973846666667	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+3Na"	68.967654
"1655950"	285.019188	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Na+HCOOH"	68.994688
"162813"	508.96804	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+2K-H"	76.91904
"602374"	724.99254	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+2K-H"	76.91904
"1093449"	292.94354	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2K-H"	76.91904
"150265"	254.987658	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"2M+2K"	77.926316
"594199"	362.999908	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"3M+2K"	77.926316
"1078711"	146.975408	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2K"	77.926316
"1105359"	294.958092	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2K+H"	78.933592
"1341745"	295.045707	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+DMSO+H"	79.021207
"1019756"	299.084876	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2ACN+H"	83.060376
"1537882"	300.078508	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+IsoProp+Na+H"	84.054008
"1004692"	150.046076	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+2ACN+2H"	84.067652
"1594823"	300.993128	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+K+HCOOH"	84.968628
"1427044"	331.024638	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+H+CF3COOH"	115.000138
"1159521"	170.559351	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+3ACN+2H"	125.094202
"1707977"	348.051185	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+NH4+CF3COOH"	132.026685
"1638159"	353.00658	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+Na+CF3COOH"	136.98208
"1575997"	368.98052	"C06722"	"12-Dihydroxydibenzothiophene"	"C12H8O2S"	"216.0245"	"M+K+CF3COOH"	152.95602
"803084"	907.1626	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M"	0
"977711"	888.14421	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H2O-H"	-19.01839
"63884"	603.767790666667	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-3H"	-3.021828
"507699"	906.155324	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-3H"	-3.021828
"889880"	301.380257333333	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-3H"	-3.021828
"6270"	906.155324	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H"	-2.014552
"448016"	1359.736624	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H"	-2.014552
"826909"	452.574024	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H"	-2.014552
"87993"	1813.317924	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-H"	-1.007276
"523183"	2720.480524	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-H"	-1.007276
"903169"	906.155324	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H"	-1.007276
"55354"	1830.344471	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H+NH4"	16.019271
"497101"	2737.507071	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H+NH4"	16.019271
"870530"	923.181871	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H+NH4"	16.019271
"38427"	1835.299866	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H+Na"	20.974666
"479086"	2742.462466	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H+Na"	20.974666
"856883"	928.137266	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H+Na"	20.974666
"1627508"	928.137266	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na-2H"	20.974666
"96023"	924.143663	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-H+Cl"	33.962126
"535221"	1377.724963	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-H+Cl"	33.962126
"932756"	470.562363	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+Cl"	33.962126
"273498"	1849.294602	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Cl"	34.969402
"667014"	2756.457202	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+Cl"	34.969402
"1280512"	942.132002	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl"	34.969402
"23069"	1851.273806	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H+K"	36.948606
"461537"	2758.436406	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H+K"	36.948606
"842619"	944.111206	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H+K"	36.948606
"1559548"	944.111206	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K-2H"	36.948606
"947430"	952.160794	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+HCOOH"	44.998194
"375122"	1859.323401	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+HCOOH-H"	44.998201
"356087"	1873.339051	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Hac-H"	59.013851
"1500546"	966.176451	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Hac-H"	59.013851
"960431"	974.142751	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+NaCOOH"	66.980151
"116994"	942.132002	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2Cl"	69.938804
"558739"	1395.713302	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2Cl"	69.938804
"1025354"	488.550702	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2Cl"	69.938804
"1251494"	986.081485	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Br"	78.918885
"1316862"	988.137472	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl+HCOOH"	80.974872
"1328161"	1010.119429	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl+NaCOOH"	102.956829
"920313"	1020.148186	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+CF3COOH"	112.985586
"1298115"	1056.124864	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl+CF3COOH"	148.962264
"1375185"	872.149924	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H-2H2O"	-35.012676
"1394870"	890.1599	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H-H2O"	-17.0027
"295286"	1815.332476	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H"	1.007276
"689166"	2722.495076	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H"	1.007276
"1364426"	908.169876	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H"	1.007276
"136220"	908.169876	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2H"	2.014552
"578696"	1361.751176	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2H"	2.014552
"1048951"	454.588576	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2H"	2.014552
"216487"	605.782342666667	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+3H"	3.021828
"655686"	908.169876	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+3H"	3.021828
"1171260"	303.394809333333	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+3H"	3.021828
"434531"	1832.359023	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+NH4"	18.033823
"793338"	2739.521623	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+NH4"	18.033823
"1685299"	925.196423	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+NH4"	18.033823
"335764"	916.6831495	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H+NH4"	19.041099
"725997"	1370.2644495	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H+NH4"	19.041099
"1483105"	463.1018495	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+NH4"	19.041099
"403608"	1837.314418	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Na"	22.989218
"768981"	2744.477018	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+Na"	22.989218
"1615982"	930.151818	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na"	22.989218
"328328"	919.160847	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H+Na"	23.996494
"718440"	1372.742147	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H+Na"	23.996494
"1473722"	465.579547	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+Na"	23.996494
"1059311"	310.722123333333	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2H+Na"	25.00377
"1262086"	940.196086	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+CH3OH+H"	33.033486
"385028"	1853.288358	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+K"	38.963158
"747857"	2760.450958	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+K"	38.963158
"1548817"	946.125758	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K"	38.963158
"305992"	927.147817	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H+K"	39.970434
"704247"	1380.729117	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H+K"	39.970434
"1458068"	473.566517	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+K"	39.970434
"246671"	1856.359026	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+ACN+H"	42.033826
"1222658"	949.196426	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+ACN+H"	42.033826
"1198891"	475.101851	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+ACN+2H"	43.041102
"189942"	1859.29636	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2Na-H"	44.97116
"629259"	2766.45896	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2Na-H"	44.97116
"1135922"	952.13376	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2Na-H"	44.97116
"178120"	930.151818	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2Na"	45.978436
"616585"	1383.733118	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2Na"	45.978436
"1118998"	476.570518	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2Na"	45.978436
"1402520"	318.049437333333	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+2Na"	46.985712
"1433545"	954.175346	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+HCOOH"	47.012746
"222141"	935.18484	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+3H2O+2H"	56.04448
"1510204"	968.22739	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+IsoProp+H"	61.06479
"421563"	938.138788	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Na+K"	61.952376
"782560"	1391.720088	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+Na+K"	61.952376
"1674877"	484.557488	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na+K"	61.952376
"258120"	1878.340968	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+ACN+Na"	64.015768
"1231927"	971.178368	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+ACN+Na"	64.015768
"1717533"	971.201893	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+NH4+HCOOH"	64.039293
"1185073"	325.376751333333	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+3Na"	68.967654
"1653873"	976.157288	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na+HCOOH"	68.994688
"161830"	1891.24424	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2K-H"	76.91904
"599568"	2798.40684	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2K-H"	76.91904
"1089185"	984.08164	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2K-H"	76.91904
"147095"	946.125758	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2K"	77.926316
"587749"	1399.707058	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2K"	77.926316
"1078821"	492.544458	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2K"	77.926316
"1104376"	986.096192	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2K+H"	78.933592
"1340762"	986.183807	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+DMSO+H"	79.021207
"1016951"	990.222976	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2ACN+H"	83.060376
"1537262"	991.216608	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+IsoProp+Na+H"	84.054008
"1002615"	495.615126	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2ACN+2H"	84.067652
"1598213"	992.131228	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K+HCOOH"	84.968628
"1423873"	1022.162738	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+CF3COOH"	115.000138
"1159628"	516.128401	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+3ACN+2H"	125.094202
"1708087"	1039.189285	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+NH4+CF3COOH"	132.026685
"1638269"	1044.14468	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na+CF3COOH"	136.98208
"1576107"	1060.11862	"C06723"	"6-Carboxyhex-2-enoyl-CoA;23-Didehydro-pimeloyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K+CF3COOH"	152.95602
"803194"	191.0582	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M"	0
"977821"	172.03981	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-H2O-H"	-19.01839
"64237"	126.364857333333	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M-3H"	-3.021828
"503310"	190.050924	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M-3H"	-3.021828
"891083"	62.6787906666667	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-3H"	-3.021828
"7473"	190.050924	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M-2H"	-2.014552
"449219"	285.580024	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M-2H"	-2.014552
"824832"	94.521824	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-2H"	-2.014552
"88103"	381.109124	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M-H"	-1.007276
"526573"	572.167324	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M-H"	-1.007276
"904372"	190.050924	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-H"	-1.007276
"58744"	398.135671	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M-2H+NH4"	16.019271
"497211"	589.193871	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M-2H+NH4"	16.019271
"870640"	207.077471	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-2H+NH4"	16.019271
"39631"	403.091066	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M-2H+Na"	20.974666
"479196"	594.149266	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M-2H+Na"	20.974666
"855900"	212.032866	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-2H+Na"	20.974666
"1625433"	212.032866	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Na-2H"	20.974666
"100865"	208.039263	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M-H+Cl"	33.962126
"541519"	303.568363	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M-H+Cl"	33.962126
"938330"	112.510163	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-H+Cl"	33.962126
"273608"	417.085802	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+Cl"	34.969402
"670404"	608.144002	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+Cl"	34.969402
"1279529"	226.027602	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Cl"	34.969402
"19898"	419.065006	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M-2H+K"	36.948606
"464927"	610.123206	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M-2H+K"	36.948606
"842729"	228.006806	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-2H+K"	36.948606
"1562938"	228.006806	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+K-2H"	36.948606
"949727"	236.056394	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-H+HCOOH"	44.998194
"375596"	427.114601	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+HCOOH-H"	44.998201
"355104"	441.130251	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+Hac-H"	59.013851
"1500656"	250.072051	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Hac-H"	59.013851
"961998"	258.038351	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-H+NaCOOH"	66.980151
"114917"	226.027602	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+2Cl"	69.938804
"557755"	321.556702	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+2Cl"	69.938804
"1027650"	130.498502	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2Cl"	69.938804
"1250508"	269.977085	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Br"	78.918885
"1315150"	272.033072	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Cl+HCOOH"	80.974872
"1328271"	294.015029	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Cl+NaCOOH"	102.956829
"916413"	304.043786	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M-H+CF3COOH"	112.985586
"1294944"	340.020464	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Cl+CF3COOH"	148.962264
"1376388"	156.045524	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H-2H2O"	-35.012676
"1393887"	174.0555	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H-H2O"	-17.0027
"295396"	383.123676	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+H"	1.007276
"688911"	574.181876	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+H"	1.007276
"1365994"	192.065476	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H"	1.007276
"140341"	192.065476	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+2H"	2.014552
"576254"	287.594576	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+2H"	2.014552
"1047968"	96.536376	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2H"	2.014552
"215869"	128.379409333333	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+3H"	3.021828
"654336"	192.065476	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+3H"	3.021828
"1169181"	64.6933426666667	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+3H"	3.021828
"433547"	400.150223	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+NH4"	18.033823
"793449"	591.208423	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+NH4"	18.033823
"1686503"	209.092023	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+NH4"	18.033823
"335874"	200.5787495	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+H+NH4"	19.041099
"727200"	296.1078495	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+H+NH4"	19.041099
"1488683"	105.0496495	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H+NH4"	19.041099
"404449"	405.105618	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+Na"	22.989218
"768967"	596.163818	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+Na"	22.989218
"1617549"	214.047418	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Na"	22.989218
"327586"	203.056447	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+H+Na"	23.996494
"718548"	298.585547	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+H+Na"	23.996494
"1472735"	107.527347	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H+Na"	23.996494
"1059421"	72.0206566666667	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2H+Na"	25.00377
"1264380"	224.091686	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+CH3OH+H"	33.033486
"378947"	421.079558	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+K"	38.963158
"748331"	612.137758	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+K"	38.963158
"1549291"	230.021358	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+K"	38.963158
"313152"	211.043417	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+H+K"	39.970434
"705452"	306.572517	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+H+K"	39.970434
"1455990"	115.514317	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H+K"	39.970434
"250061"	424.150226	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+ACN+H"	42.033826
"1224469"	233.092026	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+ACN+H"	42.033826
"1202280"	117.049651	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+ACN+2H"	43.041102
"192967"	427.08756	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+2Na-H"	44.97116
"633619"	618.14576	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+2Na-H"	44.97116
"1137125"	236.02936	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2Na-H"	44.97116
"180414"	214.047418	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+2Na"	45.978436
"616695"	309.576518	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+2Na"	45.978436
"1119108"	118.518318	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2Na"	45.978436
"1401537"	79.3479706666667	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H+2Na"	46.985712
"1433655"	238.070946	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H+HCOOH"	47.012746
"224437"	219.08044	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+3H2O+2H"	56.04448
"1509586"	252.12299	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+IsoProp+H"	61.06479
"414380"	222.034388	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+Na+K"	61.952376
"778656"	317.563488	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+Na+K"	61.952376
"1674988"	126.505288	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Na+K"	61.952376
"254951"	446.132168	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+ACN+Na"	64.015768
"1235317"	255.073968	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+ACN+Na"	64.015768
"1722017"	255.097493	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+NH4+HCOOH"	64.039293
"1187370"	86.6752846666667	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+3Na"	68.967654
"1656171"	260.052888	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Na+HCOOH"	68.994688
"160847"	459.03544	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+2K-H"	76.91904
"602593"	650.09364	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+2K-H"	76.91904
"1088198"	267.97724	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2K-H"	76.91904
"153765"	230.021358	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"2M+2K"	77.926316
"594419"	325.550458	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"3M+2K"	77.926316
"1078932"	134.492258	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2K"	77.926316
"1104487"	269.991792	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2K+H"	78.933592
"1340872"	270.079407	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+DMSO+H"	79.021207
"1018153"	274.118576	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2ACN+H"	83.060376
"1534091"	275.112208	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+IsoProp+Na+H"	84.054008
"1001632"	137.562926	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+2ACN+2H"	84.067652
"1593950"	276.026828	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+K+HCOOH"	84.968628
"1426170"	306.058338	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+H+CF3COOH"	115.000138
"1159738"	158.076201	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+3ACN+2H"	125.094202
"1708197"	323.084885	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+NH4+CF3COOH"	132.026685
"1638379"	328.04028	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+Na+CF3COOH"	136.98208
"1572937"	344.01422	"C06725"	"56-Dihydroxy-3-methyl-2-oxo-12-dihydroquinoline"	"C10H9NO3"	"191.0582"	"M+K+CF3COOH"	152.95602
"805490"	193.0739	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M"	0
"979024"	174.05551	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-H2O-H"	-19.01839
"65442"	127.708657333333	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M-3H"	-3.021828
"503543"	192.066624	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M-3H"	-3.021828
"893379"	63.3506906666667	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-3H"	-3.021828
"6490"	192.066624	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M-2H"	-2.014552
"447141"	288.603574	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M-2H"	-2.014552
"824941"	95.529674	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-2H"	-2.014552
"89306"	385.140524	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M-H"	-1.007276
"524490"	578.214424	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M-H"	-1.007276
"906669"	192.066624	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-H"	-1.007276
"54481"	402.167071	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M-2H+NH4"	16.019271
"492947"	595.240971	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M-2H+NH4"	16.019271
"870018"	209.093171	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-2H+NH4"	16.019271
"37189"	407.122466	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M-2H+Na"	20.974666
"481492"	600.196366	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M-2H+Na"	20.974666
"853826"	214.048566	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-2H+Na"	20.974666
"1625542"	214.048566	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Na-2H"	20.974666
"100976"	210.054963	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M-H+Cl"	33.962126
"540536"	306.591913	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M-H+Cl"	33.962126
"938440"	113.518013	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-H+Cl"	33.962126
"273718"	421.117202	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+Cl"	34.969402
"670514"	614.191102	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+Cl"	34.969402
"1276359"	228.043302	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Cl"	34.969402
"22195"	423.096406	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M-2H+K"	36.948606
"465037"	616.170306	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M-2H+K"	36.948606
"842839"	230.022506	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-2H+K"	36.948606
"1563046"	230.022506	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+K-2H"	36.948606
"948740"	238.072094	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-H+HCOOH"	44.998194
"369145"	431.146001	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+HCOOH-H"	44.998201
"349016"	445.161651	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+Hac-H"	59.013851
"1498942"	252.087751	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Hac-H"	59.013851
"962108"	260.054051	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-H+NaCOOH"	66.980151
"112474"	228.043302	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+2Cl"	69.938804
"553126"	324.580252	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+2Cl"	69.938804
"1025573"	131.506352	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2Cl"	69.938804
"1248432"	271.992785	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Br"	78.918885
"1317443"	274.048772	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Cl+HCOOH"	80.974872
"1329474"	296.030729	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Cl+NaCOOH"	102.956829
"920532"	306.059486	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M-H+CF3COOH"	112.985586
"1295054"	342.036164	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Cl+CF3COOH"	148.962264
"1376498"	158.061224	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H-2H2O"	-35.012676
"1393995"	176.0712	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H-H2O"	-17.0027
"295507"	387.155076	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+H"	1.007276
"687929"	580.228976	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+H"	1.007276
"1364279"	194.081176	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H"	1.007276
"138992"	194.081176	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+2H"	2.014552
"575998"	290.618126	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+2H"	2.014552
"1048078"	97.544226	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2H"	2.014552
"216709"	129.723209333333	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+3H"	3.021828
"653352"	194.081176	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+3H"	3.021828
"1169291"	65.3652426666667	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+3H"	3.021828
"434749"	404.181623	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+NH4"	18.033823
"794651"	597.255523	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+NH4"	18.033823
"1684426"	211.107723	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+NH4"	18.033823
"333798"	202.5944495	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+H+NH4"	19.041099
"728403"	299.1313995	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+H+NH4"	19.041099
"1488793"	106.0574995	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H+NH4"	19.041099
"405652"	409.137018	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+Na"	22.989218
"768834"	602.210918	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+Na"	22.989218
"1617781"	216.063118	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Na"	22.989218
"327696"	205.072147	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+H+Na"	23.996494
"716835"	301.609097	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+H+Na"	23.996494
"1472845"	108.535197	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H+Na"	23.996494
"1061718"	72.6925566666667	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2H+Na"	25.00377
"1266677"	226.107386	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+CH3OH+H"	33.033486
"384159"	425.110958	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+K"	38.963158
"747348"	618.184858	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+K"	38.963158
"1549401"	232.037058	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+K"	38.963158
"314152"	213.059117	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+H+K"	39.970434
"706533"	309.596067	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+H+K"	39.970434
"1456100"	116.522167	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H+K"	39.970434
"250899"	428.181626	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+ACN+H"	42.033826
"1221784"	235.107726	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+ACN+H"	42.033826
"1202390"	118.057501	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+ACN+2H"	43.041102
"193076"	431.11896	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+2Na-H"	44.97116
"635915"	624.19286	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+2Na-H"	44.97116
"1137233"	238.04506	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2Na-H"	44.97116
"178337"	216.063118	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+2Na"	45.978436
"617898"	312.600068	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+2Na"	45.978436
"1121404"	119.526168	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2Na"	45.978436
"1401646"	80.0198706666667	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H+2Na"	46.985712
"1434856"	240.086646	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H+HCOOH"	47.012746
"226734"	221.09614	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+3H2O+2H"	56.04448
"1512611"	254.13869	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+IsoProp+H"	61.06479
"412300"	224.050088	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+Na+K"	61.952376
"778766"	320.587038	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+Na+K"	61.952376
"1678748"	127.513138	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Na+K"	61.952376
"252875"	450.163568	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+ACN+Na"	64.015768
"1234334"	257.089668	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+ACN+Na"	64.015768
"1719941"	257.113193	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+NH4+HCOOH"	64.039293
"1184200"	87.3471846666667	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+3Na"	68.967654
"1657374"	262.068588	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Na+HCOOH"	68.994688
"159863"	463.06684	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+2K-H"	76.91904
"600515"	656.14074	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+2K-H"	76.91904
"1087214"	269.99294	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2K-H"	76.91904
"147315"	232.037058	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"2M+2K"	77.926316
"591249"	328.574008	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"3M+2K"	77.926316
"1082322"	135.500108	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2K"	77.926316
"1104597"	272.007492	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2K+H"	78.933592
"1340982"	272.095107	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+DMSO+H"	79.021207
"1018992"	276.134276	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2ACN+H"	83.060376
"1533108"	277.127908	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+IsoProp+Na+H"	84.054008
"1002835"	138.570776	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+2ACN+2H"	84.067652
"1595153"	278.042528	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+K+HCOOH"	84.968628
"1426645"	308.074038	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+H+CF3COOH"	115.000138
"1159848"	159.084051	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+3ACN+2H"	125.094202
"1709400"	325.100585	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+NH4+CF3COOH"	132.026685
"1638489"	330.05598	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+Na+CF3COOH"	136.98208
"1573047"	346.02992	"C06726"	"56-Dihydroxy-3-methyl-2-oxo-1256-tetrahydroquinoline"	"C10H11NO3"	"193.0739"	"M+K+CF3COOH"	152.95602
"805600"	140.0837	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M"	0
"975039"	121.06531	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-H2O-H"	-19.01839
"64458"	92.3818573333333	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M-3H"	-3.021828
"504624"	139.076424	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M-3H"	-3.021828
"894219"	45.6872906666667	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-3H"	-3.021828
"9881"	139.076424	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M-2H"	-2.014552
"451624"	209.118274	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M-2H"	-2.014552
"827238"	69.034574	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-2H"	-2.014552
"89416"	279.160124	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M-H"	-1.007276
"523508"	419.243824	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M-H"	-1.007276
"908967"	139.076424	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-H"	-1.007276
"54592"	296.186671	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M-2H+NH4"	16.019271
"493058"	436.270371	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M-2H+NH4"	16.019271
"869035"	156.102971	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-2H+NH4"	16.019271
"39120"	301.142066	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M-2H+Na"	20.974666
"478315"	441.225766	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M-2H+Na"	20.974666
"852841"	161.058366	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-2H+Na"	20.974666
"1624194"	161.058366	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Na-2H"	20.974666
"98899"	157.064763	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M-H+Cl"	33.962126
"538459"	227.106613	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M-H+Cl"	33.962126
"936363"	87.022913	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-H+Cl"	33.962126
"273828"	315.136802	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+Cl"	34.969402
"670624"	455.220502	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+Cl"	34.969402
"1283030"	175.053102	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Cl"	34.969402
"23398"	317.116006	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M-2H+K"	36.948606
"461867"	457.199706	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M-2H+K"	36.948606
"842949"	177.032306	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-2H+K"	36.948606
"1564249"	177.032306	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+K-2H"	36.948606
"949943"	185.081894	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-H+HCOOH"	44.998194
"369252"	325.165601	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+HCOOH-H"	44.998201
"354231"	339.181251	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+Hac-H"	59.013851
"1496862"	199.097551	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Hac-H"	59.013851
"961489"	207.063851	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-H+NaCOOH"	66.980151
"112948"	175.053102	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+2Cl"	69.938804
"553236"	245.094952	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+2Cl"	69.938804
"1024954"	105.011252	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2Cl"	69.938804
"1248542"	219.002585	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Br"	78.918885
"1318647"	221.058572	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Cl+HCOOH"	80.974872
"1331770"	243.040529	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Cl+NaCOOH"	102.956829
"921372"	253.069286	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M-H+CF3COOH"	112.985586
"1295164"	289.045964	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Cl+CF3COOH"	148.962264
"1375514"	105.071024	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H-2H2O"	-35.012676
"1390824"	123.081	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H-H2O"	-17.0027
"295617"	281.174676	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+H"	1.007276
"688403"	421.258376	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+H"	1.007276
"1366459"	141.090976	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H"	1.007276
"140196"	141.090976	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+2H"	2.014552
"577204"	211.132826	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+2H"	2.014552
"1048920"	71.049126	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2H"	2.014552
"217183"	94.3964093333333	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+3H"	3.021828
"654555"	141.090976	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+3H"	3.021828
"1172681"	47.7018426666667	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+3H"	3.021828
"434859"	298.201223	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+NH4"	18.033823
"795855"	438.284923	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+NH4"	18.033823
"1687815"	158.117523	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+NH4"	18.033823
"336094"	149.6042495	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+H+NH4"	19.041099
"729606"	219.6460995	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+H+NH4"	19.041099
"1487809"	79.5623995	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H+NH4"	19.041099
"403210"	303.156618	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+Na"	22.989218
"768579"	443.240318	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+Na"	22.989218
"1615582"	163.072918	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Na"	22.989218
"328778"	152.081947	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+H+Na"	23.996494
"716945"	222.123797	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+H+Na"	23.996494
"1467487"	82.040097	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H+Na"	23.996494
"1064014"	55.0291566666667	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2H+Na"	25.00377
"1265694"	173.117186	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+CH3OH+H"	33.033486
"384273"	319.130558	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+K"	38.963158
"743084"	459.214258	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+K"	38.963158
"1547324"	179.046858	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+K"	38.963158
"308874"	160.068917	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+H+K"	39.970434
"707018"	230.110767	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+H+K"	39.970434
"1457303"	90.027067	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H+K"	39.970434
"248822"	322.201226	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+ACN+H"	42.033826
"1221893"	182.117526	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+ACN+H"	42.033826
"1203593"	91.562401	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+ACN+2H"	43.041102
"199744"	325.13856	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+2Na-H"	44.97116
"637118"	465.22226	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+2Na-H"	44.97116
"1138437"	185.05486	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2Na-H"	44.97116
"178447"	163.072918	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+2Na"	45.978436
"619101"	233.114768	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+2Na"	45.978436
"1118596"	93.031068	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2Na"	45.978436
"1401756"	62.3564706666667	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H+2Na"	46.985712
"1436059"	187.096446	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H+HCOOH"	47.012746
"224657"	168.10594	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+3H2O+2H"	56.04448
"1512724"	201.14849	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+IsoProp+H"	61.06479
"412774"	171.059888	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+Na+K"	61.952376
"781062"	241.101738	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+Na+K"	61.952376
"1676300"	101.018038	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Na+K"	61.952376
"255172"	344.183168	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+ACN+Na"	64.015768
"1234444"	204.099468	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+ACN+Na"	64.015768
"1721144"	204.122993	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+NH4+HCOOH"	64.039293
"1187591"	69.6837846666667	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+3Na"	68.967654
"1659671"	209.078388	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Na+HCOOH"	68.994688
"161067"	357.08644	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+2K-H"	76.91904
"603906"	497.17014	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+2K-H"	76.91904
"1089510"	217.00274	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2K-H"	76.91904
"148518"	179.046858	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"2M+2K"	77.926316
"591359"	249.088708	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"3M+2K"	77.926316
"1082311"	109.005008	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2K"	77.926316
"1104707"	219.017292	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2K+H"	78.933592
"1341092"	219.104907	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+DMSO+H"	79.021207
"1019467"	223.144076	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2ACN+H"	83.060376
"1537591"	224.137708	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+IsoProp+Na+H"	84.054008
"1002945"	112.075676	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+2ACN+2H"	84.067652
"1598544"	225.052328	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+K+HCOOH"	84.968628
"1427484"	255.083838	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+H+CF3COOH"	115.000138
"1159958"	132.588951	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+3ACN+2H"	125.094202
"1709510"	272.110385	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+NH4+CF3COOH"	132.026685
"1638600"	277.06578	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+Na+CF3COOH"	136.98208
"1582998"	293.03972	"C06727"	"cis-12-Dihydro-3-ethylcatechol;cis-23-Dihydroxy-23-dihydroethylbenzene;cis-3-Ethyl-cyclohexa-35-diene-12-diol"	"C8H12O2"	"140.0837"	"M+K+CF3COOH"	152.95602
"804617"	138.0681	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M"	0
"974337"	119.04971	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-H2O-H"	-19.01839
"62907"	91.038124	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M-3H"	-3.021828
"503884"	137.060824	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M-3H"	-3.021828
"893965"	45.015424	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-3H"	-3.021828
"8895"	137.060824	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H"	-2.014552
"445174"	206.094874	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H"	-2.014552
"821881"	68.026774	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-2H"	-2.014552
"80413"	275.128924	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M-H"	-1.007276
"520335"	413.197024	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M-H"	-1.007276
"906890"	137.060824	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-H"	-1.007276
"52515"	292.155471	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H+NH4"	16.019271
"492075"	430.223571	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H+NH4"	16.019271
"867323"	154.087371	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-2H+NH4"	16.019271
"37772"	297.110866	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H+Na"	20.974666
"477332"	435.178966	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H+Na"	20.974666
"851491"	159.042766	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-2H+Na"	20.974666
"1624667"	159.042766	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Na-2H"	20.974666
"97187"	155.049163	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M-H+Cl"	33.962126
"536384"	224.083213	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M-H+Cl"	33.962126
"936473"	86.015113	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-H+Cl"	33.962126
"273938"	311.105602	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+Cl"	34.969402
"670734"	449.173702	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+Cl"	34.969402
"1279857"	173.037502	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl"	34.969402
"21319"	313.084806	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H+K"	36.948606
"460883"	451.152906	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H+K"	36.948606
"839779"	175.016706	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-2H+K"	36.948606
"1562171"	175.016706	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+K-2H"	36.948606
"950053"	183.066294	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-H+HCOOH"	44.998194
"366081"	321.134401	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+HCOOH-H"	44.998201
"356527"	335.150051	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+Hac-H"	59.013851
"1494786"	197.081951	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Hac-H"	59.013851
"960506"	205.048251	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-H+NaCOOH"	66.980151
"111966"	173.037502	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+2Cl"	69.938804
"552618"	242.071552	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+2Cl"	69.938804
"1027980"	104.003452	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2Cl"	69.938804
"1248652"	216.986985	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Br"	78.918885
"1315475"	219.042972	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl+HCOOH"	80.974872
"1330787"	241.024929	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl+NaCOOH"	102.956829
"923670"	251.053686	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M-H+CF3COOH"	112.985586
"1298554"	287.030364	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl+CF3COOH"	148.962264
"1375624"	103.055424	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H-2H2O"	-35.012676
"1390934"	121.0654	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H-H2O"	-17.0027
"289528"	277.143476	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+H"	1.007276
"687785"	415.211576	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+H"	1.007276
"1360488"	139.075376	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H"	1.007276
"135565"	139.075376	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+2H"	2.014552
"579137"	208.109426	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+2H"	2.014552
"1051217"	70.041326	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2H"	2.014552
"217294"	93.052676	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+3H"	3.021828
"654666"	139.075376	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+3H"	3.021828
"1171699"	47.029976	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+3H"	3.021828
"436064"	294.170023	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+NH4"	18.033823
"795965"	432.238123	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+NH4"	18.033823
"1686830"	156.101923	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+NH4"	18.033823
"332924"	147.5886495	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+H+NH4"	19.041099
"728623"	216.6226995	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+H+NH4"	19.041099
"1485733"	78.5545995	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H+NH4"	19.041099
"403320"	299.125418	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+Na"	22.989218
"767231"	437.193518	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+Na"	22.989218
"1614599"	161.057318	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Na"	22.989218
"323541"	150.066347	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+H+Na"	23.996494
"717784"	219.100397	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+H+Na"	23.996494
"1467597"	81.032297	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H+Na"	23.996494
"1061936"	54.35729	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2H+Na"	25.00377
"1265804"	171.101586	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+CH3OH+H"	33.033486
"383286"	315.099358	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+K"	38.963158
"745380"	453.167458	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+K"	38.963158
"1547434"	177.031258	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+K"	38.963158
"304609"	158.053317	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+H+K"	39.970434
"699219"	227.087367	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+H+K"	39.970434
"1450849"	89.019267	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H+K"	39.970434
"249296"	318.170026	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+ACN+H"	42.033826
"1220910"	180.101926	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+ACN+H"	42.033826
"1208442"	90.554601	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+ACN+2H"	43.041102
"200948"	321.10736	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+2Na-H"	44.97116
"637228"	459.17546	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+2Na-H"	44.97116
"1138546"	183.03926	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2Na-H"	44.97116
"178557"	161.057318	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+2Na"	45.978436
"614838"	230.091368	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+2Na"	45.978436
"1116762"	92.023268	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2Na"	45.978436
"1400773"	61.684604	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H+2Na"	46.985712
"1435076"	185.080846	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H+HCOOH"	47.012746
"223673"	166.09034	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+3H2O+2H"	56.04448
"1512834"	199.13289	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+IsoProp+H"	61.06479
"411427"	169.044288	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+Na+K"	61.952376
"781172"	238.078338	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+Na+K"	61.952376
"1677503"	100.010238	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Na+K"	61.952376
"257468"	340.151968	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+ACN+Na"	64.015768
"1231272"	202.083868	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+ACN+Na"	64.015768
"1722345"	202.107393	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+NH4+HCOOH"	64.039293
"1182233"	69.011918	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+3Na"	68.967654
"1655407"	207.062788	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Na+HCOOH"	68.994688
"168828"	353.05524	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+2K-H"	76.91904
"602923"	491.12334	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+2K-H"	76.91904
"1087434"	214.98714	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2K-H"	76.91904
"148628"	177.031258	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"2M+2K"	77.926316
"591469"	246.065308	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"3M+2K"	77.926316
"1082542"	107.997208	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2K"	77.926316
"1107003"	217.001692	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2K+H"	78.933592
"1339015"	217.089307	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+DMSO+H"	79.021207
"1019458"	221.128476	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2ACN+H"	83.060376
"1537701"	222.122108	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+IsoProp+Na+H"	84.054008
"1000868"	111.067876	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+2ACN+2H"	84.067652
"1601570"	223.036728	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+K+HCOOH"	84.968628
"1428323"	253.068238	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+H+CF3COOH"	115.000138
"1160068"	131.581151	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+3ACN+2H"	125.094202
"1709620"	270.094785	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+NH4+CF3COOH"	132.026685
"1638710"	275.05018	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+Na+CF3COOH"	136.98208
"1583108"	291.02412	"C06728"	"3-Ethylcatechol;23-Dihydroxyethylbenzene;3-Ethyl-benzene-12-diol"	"C8H10O2"	"138.0681"	"M+K+CF3COOH"	152.95602
"803634"	170.0579	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M"	0
"974435"	151.03951	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-H2O-H"	-19.01839
"63260"	112.364657333333	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M-3H"	-3.021828
"506060"	169.050624	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M-3H"	-3.021828
"892253"	55.6786906666667	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-3H"	-3.021828
"5725"	169.050624	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M-2H"	-2.014552
"444191"	254.079574	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M-2H"	-2.014552
"818711"	84.021674	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-2H"	-2.014552
"80280"	339.108524	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M-H"	-1.007276
"521540"	509.166424	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M-H"	-1.007276
"900437"	169.050624	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-H"	-1.007276
"54810"	356.135071	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M-2H+NH4"	16.019271
"493278"	526.192971	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M-2H+NH4"	16.019271
"869619"	186.077171	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-2H+NH4"	16.019271
"39340"	361.090466	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M-2H+Na"	20.974666
"477442"	531.148366	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M-2H+Na"	20.974666
"853060"	191.032566	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-2H+Na"	20.974666
"1623683"	191.032566	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Na-2H"	20.974666
"95839"	187.038963	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M-H+Cl"	33.962126
"536495"	272.067913	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M-H+Cl"	33.962126
"933302"	102.010013	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-H+Cl"	33.962126
"270765"	375.085202	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+Cl"	34.969402
"664281"	545.143102	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+Cl"	34.969402
"1274497"	205.027302	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Cl"	34.969402
"21429"	377.064406	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M-2H+K"	36.948606
"462087"	547.122306	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M-2H+K"	36.948606
"840982"	207.006506	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-2H+K"	36.948606
"1559000"	207.006506	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+K-2H"	36.948606
"945788"	215.056094	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-H+HCOOH"	44.998194
"366191"	385.114001	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+HCOOH-H"	44.998201
"350074"	399.129651	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+Hac-H"	59.013851
"1494897"	229.071751	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Hac-H"	59.013851
"960248"	237.038051	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-H+NaCOOH"	66.980151
"113169"	205.027302	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+2Cl"	69.938804
"551633"	290.056252	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+2Cl"	69.938804
"1028090"	119.998352	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2Cl"	69.938804
"1248762"	248.976785	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Br"	78.918885
"1315585"	251.032772	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Cl+HCOOH"	80.974872
"1330532"	273.014729	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Cl+NaCOOH"	102.956829
"915392"	283.043486	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M-H+CF3COOH"	112.985586
"1298665"	319.020164	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Cl+CF3COOH"	148.962264
"1377919"	135.045224	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H-2H2O"	-35.012676
"1388855"	153.0552	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H-H2O"	-17.0027
"287451"	341.123076	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+H"	1.007276
"687894"	511.180976	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+H"	1.007276
"1358411"	171.065176	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H"	1.007276
"136770"	171.065176	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+2H"	2.014552
"577424"	256.094126	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+2H"	2.014552
"1050234"	86.036226	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2H"	2.014552
"218134"	114.379209333333	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+3H"	3.021828
"659148"	171.065176	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+3H"	3.021828
"1175089"	57.6932426666667	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+3H"	3.021828
"437267"	358.149623	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+NH4"	18.033823
"799356"	528.207523	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+NH4"	18.033823
"1691313"	188.091723	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+NH4"	18.033823
"336315"	179.5784495	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+H+NH4"	19.041099
"727641"	264.6073995	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+H+NH4"	19.041099
"1488031"	94.5494995	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H+NH4"	19.041099
"403432"	363.105018	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+Na"	22.989218
"766611"	533.162918	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+Na"	22.989218
"1615803"	193.047118	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Na"	22.989218
"327661"	182.056147	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+H+Na"	23.996494
"718989"	267.085097	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+H+Na"	23.996494
"1468800"	97.027197	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H+Na"	23.996494
"1062046"	65.0205566666667	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2H+Na"	25.00377
"1268101"	203.091386	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+CH3OH+H"	33.033486
"383396"	379.078958	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+K"	38.963158
"746583"	549.136858	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+K"	38.963158
"1547542"	209.021058	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+K"	38.963158
"307999"	190.043117	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+H+K"	39.970434
"702608"	275.072067	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+H+K"	39.970434
"1450959"	105.014167	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H+K"	39.970434
"248311"	382.149626	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+ACN+H"	42.033826
"1223207"	212.091726	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+ACN+H"	42.033826
"1204907"	106.549501	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+ACN+2H"	43.041102
"199964"	385.08696	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+2Na-H"	44.97116
"639525"	555.14486	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+2Na-H"	44.97116
"1139750"	215.02906	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2Na-H"	44.97116
"175387"	193.047118	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+2Na"	45.978436
"614948"	278.076068	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+2Na"	45.978436
"1117359"	108.018168	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2Na"	45.978436
"1400883"	72.3478706666667	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H+2Na"	46.985712
"1435186"	217.070646	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H+HCOOH"	47.012746
"224876"	198.08014	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+3H2O+2H"	56.04448
"1512943"	231.12269	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+IsoProp+H"	61.06479
"409347"	201.034088	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+Na+K"	61.952376
"780917"	286.063038	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+Na+K"	61.952376
"1677613"	116.005138	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Na+K"	61.952376
"257575"	404.131568	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+ACN+Na"	64.015768
"1232475"	234.073668	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+ACN+Na"	64.015768
"1723548"	234.097193	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+NH4+HCOOH"	64.039293
"1183436"	79.6751846666667	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+3Na"	68.967654
"1658797"	239.052588	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Na+HCOOH"	68.994688
"170032"	417.03484	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+2K-H"	76.91904
"604126"	587.09274	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+2K-H"	76.91904
"1087544"	246.97694	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2K-H"	76.91904
"149831"	209.021058	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"2M+2K"	77.926316
"591579"	294.050008	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"3M+2K"	77.926316
"1082531"	123.992108	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2K"	77.926316
"1105290"	248.991492	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2K+H"	78.933592
"1340218"	249.079107	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+DMSO+H"	79.021207
"1018593"	253.118276	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2ACN+H"	83.060376
"1534531"	254.111908	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+IsoProp+Na+H"	84.054008
"1000978"	127.062776	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+2ACN+2H"	84.067652
"1598764"	255.026528	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+K+HCOOH"	84.968628
"1427704"	285.058038	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+H+CF3COOH"	115.000138
"1159085"	147.576051	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+3ACN+2H"	125.094202
"1707543"	302.084585	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+NH4+CF3COOH"	132.026685
"1639913"	307.03998	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+Na+CF3COOH"	136.98208
"1583218"	323.01392	"C06729"	"cis-12-Dihydroxy-4-methylcyclohexa-35-diene-1-carboxylate;4-Methylcyclohexa-35-diene-12-cis-diol-1-carboxylic acid"	"C8H10O4"	"170.0579"	"M+K+CF3COOH"	152.95602
"803744"	124.0524	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M"	0
"975203"	105.03401	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"63693"	81.694324	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"505078"	123.045124	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"893821"	40.343524	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"9116"	123.045124	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"447581"	185.071324	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"822101"	61.018924	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"82091"	247.097524	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"522744"	371.149924	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"902733"	123.045124	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"56013"	264.124071	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"496670"	388.176471	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"870097"	140.071671	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"39089"	269.079466	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"479743"	393.131866	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"857545"	145.027066	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1625983"	145.027066	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"101420"	141.033463	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"542073"	203.059663	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"933412"	79.007263	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"270875"	283.074202	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"661111"	407.126602	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1273553"	159.021802	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"16149"	285.053406	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"463291"	409.105806	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"841093"	161.001006	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1560205"	161.001006	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"948087"	169.050594	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"366301"	293.103001	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"347996"	307.118651	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1498289"	183.066251	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"960361"	191.032551	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"111578"	159.021802	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"559403"	221.048002	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1031483"	96.995602	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1251062"	202.971285	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1315698"	205.027272	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1331006"	227.009229	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"922062"	237.037986	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1299503"	273.014664	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1376936"	89.039724	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1388965"	107.0497	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"293030"	249.112076	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"686546"	373.164476	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1359981"	125.059676	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"135787"	125.059676	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"578629"	187.085876	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1049615"	63.033476	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"219340"	83.708876	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"658897"	125.059676	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1176658"	42.358076	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"439442"	266.138623	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"801249"	390.191023	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1691422"	142.086223	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"335329"	133.5729495	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"729936"	195.5991495	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1484861"	71.5467495	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"402446"	271.094018	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"765627"	395.146418	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1613725"	147.041618	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"323761"	136.050647	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"716545"	198.076847	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1471099"	74.024447	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1058876"	49.68539	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1266024"	157.085886	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"383506"	287.067958	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"746694"	411.120358	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1547652"	163.015558	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"308109"	144.037617	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"699439"	206.063817	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1457630"	82.011417	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"246234"	290.138626	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1220037"	166.086226	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1201738"	83.546751	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"198981"	293.07596	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"633073"	417.12836	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1136579"	169.02356	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"175497"	147.041618	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"618336"	209.067818	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1120747"	85.015418	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1404270"	57.012704	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1435294"	171.065146	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"224986"	152.07464	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1512319"	185.11719	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"413464"	155.028588	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"781026"	217.054788	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1676267"	93.002388	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"256592"	312.120568	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1227118"	188.068168	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1720378"	188.091693	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1186826"	64.340018	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1656720"	193.047088	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"169049"	325.02384	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"603143"	449.07624	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1087654"	200.97144	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"146661"	163.015558	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"589502"	225.041758	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1078388"	100.989358	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1107222"	202.985992	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1340328"	203.073607	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1016517"	207.112776	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1536828"	208.106408	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"1003275"	104.060026	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1598875"	209.021028	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1426721"	239.052538	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1159195"	124.573301	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1710932"	256.079085	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1637835"	261.03448	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1583328"	277.00842	"C06730"	"4-Methylcatechol;34-Dihydroxytoluene;12-Dihydroxy-4-methylbenzene;4-Methyl-12-benzenediol"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"803854"	170.0579	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M"	0
"975194"	151.03951	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H2O-H"	-19.01839
"63804"	112.364657333333	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-3H"	-3.021828
"503849"	169.050624	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-3H"	-3.021828
"894659"	55.6786906666667	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-3H"	-3.021828
"10319"	169.050624	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H"	-2.014552
"447691"	254.079574	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H"	-2.014552
"827679"	84.021674	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H"	-2.014552
"82203"	339.108524	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-H"	-1.007276
"525041"	509.166424	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-H"	-1.007276
"902843"	169.050624	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H"	-1.007276
"56124"	356.135071	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H+NH4"	16.019271
"494594"	526.192971	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H+NH4"	16.019271
"872395"	186.077171	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H+NH4"	16.019271
"36285"	361.090466	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H+Na"	20.974666
"477666"	531.148366	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H+Na"	20.974666
"855468"	191.032566	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H+Na"	20.974666
"1625000"	191.032566	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na-2H"	20.974666
"99344"	187.038963	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-H+Cl"	33.962126
"535620"	272.067913	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-H+Cl"	33.962126
"933518"	102.010013	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+Cl"	33.962126
"270985"	375.085202	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Cl"	34.969402
"664502"	545.143102	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+Cl"	34.969402
"1273865"	205.027302	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl"	34.969402
"16910"	377.064406	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M-2H+K"	36.948606
"464492"	547.122306	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M-2H+K"	36.948606
"840106"	207.006506	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-2H+K"	36.948606
"1565783"	207.006506	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K-2H"	36.948606
"951478"	215.056094	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+HCOOH"	44.998194
"363495"	385.114001	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+HCOOH-H"	44.998201
"347012"	399.129651	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Hac-H"	59.013851
"1500222"	229.071751	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Hac-H"	59.013851
"961930"	237.038051	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+NaCOOH"	66.980151
"111688"	205.027302	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2Cl"	69.938804
"558419"	290.056252	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2Cl"	69.938804
"1030500"	119.998352	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2Cl"	69.938804
"1252264"	248.976785	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Br"	78.918885
"1312526"	251.032772	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl+HCOOH"	80.974872
"1328930"	273.014729	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl+NaCOOH"	102.956829
"922172"	283.043486	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M-H+CF3COOH"	112.985586
"1299978"	319.020164	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Cl+CF3COOH"	148.962264
"1378139"	135.045224	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H-2H2O"	-35.012676
"1387982"	153.0552	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H-H2O"	-17.0027
"288765"	341.123076	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H"	1.007276
"683739"	511.180976	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H"	1.007276
"1355351"	171.065176	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H"	1.007276
"133343"	171.065176	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2H"	2.014552
"577644"	256.094126	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2H"	2.014552
"1049359"	86.036226	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2H"	2.014552
"216893"	114.379209333333	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+3H"	3.021828
"654994"	171.065176	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+3H"	3.021828
"1169840"	57.6932426666667	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+3H"	3.021828
"433113"	358.149623	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+NH4"	18.033823
"799941"	528.207523	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+NH4"	18.033823
"1689347"	188.091723	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+NH4"	18.033823
"333253"	179.5784495	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H+NH4"	19.041099
"727860"	264.6073995	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H+NH4"	19.041099
"1486065"	94.5494995	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+NH4"	19.041099
"401464"	363.105018	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Na"	22.989218
"764644"	533.162918	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+Na"	22.989218
"1613835"	193.047118	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na"	22.989218
"320591"	182.056147	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H+Na"	23.996494
"716292"	267.085097	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H+Na"	23.996494
"1464647"	97.027197	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+Na"	23.996494
"1056796"	65.0205566666667	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2H+Na"	25.00377
"1265041"	203.091386	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+CH3OH+H"	33.033486
"386898"	379.078958	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+K"	38.963158
"746805"	549.136858	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+K"	38.963158
"1546668"	209.021058	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K"	38.963158
"309312"	190.043117	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+H+K"	39.970434
"698453"	275.072067	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+H+K"	39.970434
"1454460"	105.014167	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+K"	39.970434
"244152"	382.149626	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+ACN+H"	42.033826
"1217959"	212.091726	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+ACN+H"	42.033826
"1204036"	106.549501	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+ACN+2H"	43.041102
"196904"	385.08696	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2Na-H"	44.97116
"632090"	555.14486	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2Na-H"	44.97116
"1135595"	215.02906	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2Na-H"	44.97116
"175607"	193.047118	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2Na"	45.978436
"618449"	278.076068	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2Na"	45.978436
"1118672"	108.018168	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2Na"	45.978436
"1400007"	72.3478706666667	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+2Na"	46.985712
"1433220"	217.070646	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+HCOOH"	47.012746
"225097"	198.08014	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+3H2O+2H"	56.04448
"1513159"	231.12269	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+IsoProp+H"	61.06479
"413939"	201.034088	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+Na+K"	61.952376
"780043"	286.063038	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+Na+K"	61.952376
"1673458"	116.005138	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na+K"	61.952376
"257796"	404.131568	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+ACN+Na"	64.015768
"1230508"	234.073668	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+ACN+Na"	64.015768
"1720488"	234.097193	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+NH4+HCOOH"	64.039293
"1189123"	79.6751846666667	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+3Na"	68.967654
"1659017"	239.052588	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na+HCOOH"	68.994688
"170252"	417.03484	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2K-H"	76.91904
"608720"	587.09274	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2K-H"	76.91904
"1088858"	246.97694	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2K-H"	76.91904
"150050"	209.021058	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"2M+2K"	77.926316
"589611"	294.050008	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"3M+2K"	77.926316
"1077404"	123.992108	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2K"	77.926316
"1107332"	248.991492	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2K+H"	78.933592
"1348093"	249.079107	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+DMSO+H"	79.021207
"1016627"	253.118276	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2ACN+H"	83.060376
"1538030"	254.111908	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+IsoProp+Na+H"	84.054008
"1003384"	127.062776	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+2ACN+2H"	84.067652
"1599714"	255.026528	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K+HCOOH"	84.968628
"1428289"	285.058038	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+H+CF3COOH"	115.000138
"1160398"	147.576051	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+3ACN+2H"	125.094202
"1708855"	302.084585	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+NH4+CF3COOH"	132.026685
"1637945"	307.03998	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+Na+CF3COOH"	136.98208
"1583438"	323.01392	"C06731"	"12-Dihydroxy-6-methylcyclohexa-35-dienecarboxylate"	"C8H10O4"	"170.0579"	"M+K+CF3COOH"	152.95602
"803964"	202.0742	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M"	0
"974331"	183.05581	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-H2O-H"	-19.01839
"63670"	133.708857333333	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M-3H"	-3.021828
"504569"	201.066924	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M-3H"	-3.021828
"892583"	66.3507906666667	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-3H"	-3.021828
"9336"	201.066924	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M-2H"	-2.014552
"449988"	302.104024	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M-2H"	-2.014552
"827789"	100.029824	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-2H"	-2.014552
"82312"	403.141124	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M-H"	-1.007276
"527337"	605.215324	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M-H"	-1.007276
"900768"	201.066924	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-H"	-1.007276
"56234"	420.167671	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M-2H+NH4"	16.019271
"494704"	622.241871	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M-2H+NH4"	16.019271
"870319"	218.093471	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-2H+NH4"	16.019271
"37124"	425.123066	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M-2H+Na"	20.974666
"478869"	627.197266	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M-2H+Na"	20.974666
"856671"	223.048866	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-2H+Na"	20.974666
"1626202"	223.048866	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Na-2H"	20.974666
"99453"	219.055263	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M-H+Cl"	33.962126
"539010"	320.092363	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M-H+Cl"	33.962126
"933628"	118.018163	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-H+Cl"	33.962126
"274375"	439.117802	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+Cl"	34.969402
"664611"	641.192002	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+Cl"	34.969402
"1273854"	237.043602	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Cl"	34.969402
"18475"	441.097006	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M-2H+K"	36.948606
"461322"	643.171206	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M-2H+K"	36.948606
"836936"	239.022806	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-2H+K"	36.948606
"1564800"	239.022806	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+K-2H"	36.948606
"949401"	247.072394	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-H+HCOOH"	44.998194
"364334"	449.146601	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+HCOOH-H"	44.998201
"346394"	463.162251	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+Hac-H"	59.013851
"1500332"	261.088051	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Hac-H"	59.013851
"961676"	269.054351	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-H+NaCOOH"	66.980151
"112770"	237.043602	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+2Cl"	69.938804
"563633"	338.080702	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+2Cl"	69.938804
"1028421"	136.006502	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2Cl"	69.938804
"1252375"	280.993085	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Br"	78.918885
"1317011"	283.049072	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Cl+HCOOH"	80.974872
"1331226"	305.031029	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Cl+NaCOOH"	102.956829
"922283"	315.059786	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M-H+CF3COOH"	112.985586
"1299723"	351.036464	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Cl+CF3COOH"	148.962264
"1378249"	167.061524	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H-2H2O"	-35.012676
"1388091"	185.0715	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H-H2O"	-17.0027
"293250"	405.155676	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+H"	1.007276
"685674"	607.229876	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+H"	1.007276
"1355461"	203.081476	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H"	1.007276
"133816"	203.081476	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+2H"	2.014552
"577025"	304.118576	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+2H"	2.014552
"1046552"	102.044376	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2H"	2.014552
"218100"	135.723409333333	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+3H"	3.021828
"658385"	203.081476	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+3H"	3.021828
"1174324"	68.3653426666667	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+3H"	3.021828
"436504"	422.182223	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+NH4"	18.033823
"795313"	624.256423	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+NH4"	18.033823
"1684353"	220.108023	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+NH4"	18.033823
"337737"	211.5947495	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+H+NH4"	19.041099
"724691"	312.6318495	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+H+NH4"	19.041099
"1487265"	110.5576495	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H+NH4"	19.041099
"400476"	427.137618	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+Na"	22.989218
"759286"	629.211818	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+Na"	22.989218
"1612852"	225.063418	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Na"	22.989218
"323979"	214.072447	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+H+Na"	23.996494
"716402"	315.109547	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+H+Na"	23.996494
"1466578"	113.035347	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H+Na"	23.996494
"1058003"	75.6926566666667	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2H+Na"	25.00377
"1268433"	235.107686	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+CH3OH+H"	33.033486
"387009"	443.111558	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+K"	38.963158
"749101"	645.185758	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+K"	38.963158
"1550060"	241.037358	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+K"	38.963158
"308329"	222.059417	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+H+K"	39.970434
"697470"	323.096517	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+H+K"	39.970434
"1451291"	121.022317	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H+K"	39.970434
"244264"	446.182226	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+ACN+H"	42.033826
"1214791"	244.108026	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+ACN+H"	42.033826
"1206698"	122.557651	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+ACN+2H"	43.041102
"198109"	449.11956	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+2Na-H"	44.97116
"635481"	651.19376	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+2Na-H"	44.97116
"1138987"	247.04536	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2Na-H"	44.97116
"175717"	225.063418	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+2Na"	45.978436
"619652"	326.100518	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+2Na"	45.978436
"1120968"	124.026318	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2Na"	45.978436
"1402304"	83.0199706666667	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H+2Na"	46.985712
"1434423"	249.086946	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H+HCOOH"	47.012746
"224116"	230.09644	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+3H2O+2H"	56.04448
"1509991"	263.13899	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+IsoProp+H"	61.06479
"411867"	233.050388	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+Na+K"	61.952376
"779425"	334.087488	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+Na+K"	61.952376
"1672475"	132.013288	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Na+K"	61.952376
"257906"	468.164168	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+ACN+Na"	64.015768
"1229524"	266.089968	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+ACN+Na"	64.015768
"1719505"	266.113493	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+NH4+HCOOH"	64.039293
"1188140"	90.3472846666667	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+3Na"	68.967654
"1659127"	271.068888	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Na+HCOOH"	68.994688
"164895"	481.06744	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+2K-H"	76.91904
"607736"	683.14164	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+2K-H"	76.91904
"1091155"	278.99324	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2K-H"	76.91904
"149067"	241.037358	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"2M+2K"	77.926316
"589721"	342.074458	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"3M+2K"	77.926316
"1077514"	140.000258	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2K"	77.926316
"1105255"	281.007792	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2K+H"	78.933592
"1346016"	281.095407	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+DMSO+H"	79.021207
"1017830"	285.134576	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2ACN+H"	83.060376
"1537046"	286.128208	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+IsoProp+Na+H"	84.054008
"1003495"	143.070926	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+2ACN+2H"	84.067652
"1599093"	287.042828	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+K+HCOOH"	84.968628
"1428763"	317.074338	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+H+CF3COOH"	115.000138
"1160508"	163.584201	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+3ACN+2H"	125.094202
"1710058"	334.100885	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+NH4+CF3COOH"	132.026685
"1642429"	339.05628	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+Na+CF3COOH"	136.98208
"1583548"	355.03022	"C06732"	"alphabeta-Didehydrotryptophan"	"C11H10N2O2"	"202.0742"	"M+K+CF3COOH"	152.95602
"804074"	418.3236	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M"	0
"974811"	399.30521	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-H2O-H"	-19.01839
"65847"	277.875124	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M-3H"	-3.021828
"507594"	417.316324	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M-3H"	-3.021828
"892693"	138.433924	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-3H"	-3.021828
"9447"	417.316324	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M-2H"	-2.014552
"447911"	626.478124	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M-2H"	-2.014552
"826806"	208.154524	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-2H"	-2.014552
"86797"	835.639924	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M-H"	-1.007276
"528543"	1253.963524	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M-H"	-1.007276
"904158"	417.316324	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-H"	-1.007276
"56346"	852.666471	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M-2H+NH4"	16.019271
"500279"	1270.990071	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M-2H+NH4"	16.019271
"874804"	434.342871	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-2H+NH4"	16.019271
"37238"	857.621866	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M-2H+Na"	20.974666
"473516"	1275.945466	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M-2H+Na"	20.974666
"857872"	439.298266	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-2H+Na"	20.974666
"1621941"	439.298266	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Na-2H"	20.974666
"97377"	435.304663	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M-H+Cl"	33.962126
"535355"	644.466463	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M-H+Cl"	33.962126
"935926"	226.142863	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-H+Cl"	33.962126
"271205"	871.616602	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+Cl"	34.969402
"664721"	1289.940202	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+Cl"	34.969402
"1278217"	453.293002	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Cl"	34.969402
"25146"	873.595806	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M-2H+K"	36.948606
"461432"	1291.919406	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M-2H+K"	36.948606
"839233"	455.272206	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-2H+K"	36.948606
"1564910"	455.272206	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+K-2H"	36.948606
"948417"	463.321794	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-H+HCOOH"	44.998194
"364808"	881.645401	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+HCOOH-H"	44.998201
"347232"	895.661051	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+Hac-H"	59.013851
"1496432"	477.337451	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Hac-H"	59.013851
"963974"	485.303751	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-H+NaCOOH"	66.980151
"119078"	453.293002	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+2Cl"	69.938804
"565200"	662.454802	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+2Cl"	69.938804
"1033999"	244.131202	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2Cl"	69.938804
"1255038"	497.242485	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Br"	78.918885
"1318581"	499.298472	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Cl+HCOOH"	80.974872
"1332429"	521.280429	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Cl+NaCOOH"	102.956829
"920206"	531.309186	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M-H+CF3COOH"	112.985586
"1300926"	567.285864	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Cl+CF3COOH"	148.962264
"1380911"	383.310924	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H-2H2O"	-35.012676
"1391483"	401.3209	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H-H2O"	-17.0027
"292264"	837.654476	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+H"	1.007276
"685055"	1255.978076	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+H"	1.007276
"1355571"	419.330876	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H"	1.007276
"133199"	419.330876	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+2H"	2.014552
"578960"	628.492676	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+2H"	2.014552
"1050673"	210.169076	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2H"	2.014552
"217848"	279.889676	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+3H"	3.021828
"656310"	419.330876	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+3H"	3.021828
"1174434"	140.448476	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+3H"	3.021828
"435886"	854.681023	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+NH4"	18.033823
"795059"	1273.004623	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+NH4"	18.033823
"1687379"	436.357423	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+NH4"	18.033823
"337847"	427.8441495	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+H+NH4"	19.041099
"726258"	637.0059495	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+H+NH4"	19.041099
"1487375"	218.6823495	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H+NH4"	19.041099
"402774"	859.636418	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+Na"	22.989218
"760490"	1277.960018	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+Na"	22.989218
"1608587"	441.312818	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Na"	22.989218
"317532"	430.321847	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+H+Na"	23.996494
"714325"	639.483647	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+H+Na"	23.996494
"1462922"	221.160047	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H+Na"	23.996494
"1058113"	147.77579	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2H+Na"	25.00377
"1269640"	451.357086	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+CH3OH+H"	33.033486
"388211"	875.610358	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+K"	38.963158
"744836"	1293.933958	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+K"	38.963158
"1544702"	457.286758	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+K"	38.963158
"308439"	438.308817	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+H+K"	39.970434
"697580"	647.470617	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+H+K"	39.970434
"1449212"	229.147017	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H+K"	39.970434
"242187"	878.681026	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+ACN+H"	42.033826
"1215994"	460.357426	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+ACN+H"	42.033826
"1204255"	230.682351	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+ACN+2H"	43.041102
"200406"	881.61836	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+2Na-H"	44.97116
"638871"	1299.94196	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+2Na-H"	44.97116
"1141283"	463.29476	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2Na-H"	44.97116
"180201"	441.312818	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+2Na"	45.978436
"619762"	650.474618	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+2Na"	45.978436
"1118041"	232.151018	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2Na"	45.978436
"1401322"	155.103104	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H+2Na"	46.985712
"1433440"	465.336346	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H+HCOOH"	47.012746
"222161"	446.34584	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+3H2O+2H"	56.04448
"1509615"	479.38839	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+IsoProp+H"	61.06479
"409790"	449.299788	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+Na+K"	61.952376
"778442"	658.461588	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+Na+K"	61.952376
"1673678"	240.137988	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Na+K"	61.952376
"259109"	900.662968	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+ACN+Na"	64.015768
"1232915"	482.339368	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+ACN+Na"	64.015768
"1720708"	482.362893	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+NH4+HCOOH"	64.039293
"1190437"	162.430418	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+3Na"	68.967654
"1662517"	487.318288	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Na+HCOOH"	68.994688
"170472"	913.56624	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+2K-H"	76.91904
"607846"	1331.88984	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+2K-H"	76.91904
"1096733"	495.24264	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2K-H"	76.91904
"151364"	457.286758	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"2M+2K"	77.926316
"589831"	666.448558	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"3M+2K"	77.926316
"1076531"	248.124958	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2K"	77.926316
"1108647"	497.257192	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2K+H"	78.933592
"1346126"	497.344807	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+DMSO+H"	79.021207
"1016845"	501.383976	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2ACN+H"	83.060376
"1536063"	502.377608	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+IsoProp+Na+H"	84.054008
"1001417"	251.195626	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+2ACN+2H"	84.067652
"1595921"	503.292228	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+K+HCOOH"	84.968628
"1423768"	533.323738	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+H+CF3COOH"	115.000138
"1161347"	271.708901	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+3ACN+2H"	125.094202
"1707981"	550.350285	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+NH4+CF3COOH"	132.026685
"1643633"	555.30568	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+Na+CF3COOH"	136.98208
"1574910"	571.27962	"C06733"	"8-apo-beta-Carotenol"	"C30H42O"	"418.3236"	"M+K+CF3COOH"	152.95602
"804184"	310.2297	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M"	0
"975891"	291.21131	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-H2O-H"	-19.01839
"63525"	205.812524	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M-3H"	-3.021828
"503490"	309.222424	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M-3H"	-3.021828
"889887"	102.402624	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-3H"	-3.021828
"8464"	309.222424	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M-2H"	-2.014552
"446928"	464.337274	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M-2H"	-2.014552
"821450"	154.107574	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-2H"	-2.014552
"79616"	619.452124	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M-H"	-1.007276
"519906"	929.681824	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M-H"	-1.007276
"898801"	309.222424	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-H"	-1.007276
"57547"	636.478671	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M-2H+NH4"	16.019271
"493826"	946.708371	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M-2H+NH4"	16.019271
"866164"	326.248971	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-2H+NH4"	16.019271
"33334"	641.434066	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M-2H+Na"	20.974666
"472531"	951.663766	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M-2H+Na"	20.974666
"850692"	331.204366	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-2H+Na"	20.974666
"1620227"	331.204366	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Na-2H"	20.974666
"94357"	327.210763	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M-H+Cl"	33.962126
"534731"	482.325613	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M-H+Cl"	33.962126
"933849"	172.095913	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-H+Cl"	33.962126
"274596"	655.428802	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+Cl"	34.969402
"664832"	965.658502	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+Cl"	34.969402
"1278328"	345.199102	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Cl"	34.969402
"21977"	657.408006	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M-2H+K"	36.948606
"456314"	967.637706	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M-2H+K"	36.948606
"837156"	347.178306	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-2H+K"	36.948606
"1560644"	347.178306	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+K-2H"	36.948606
"943785"	355.227894	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-H+HCOOH"	44.998194
"365643"	665.457601	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+HCOOH-H"	44.998201
"348069"	679.473251	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+Hac-H"	59.013851
"1495447"	369.243551	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Hac-H"	59.013851
"963720"	377.209851	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-H+NaCOOH"	66.980151
"115908"	345.199102	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+2Cl"	69.938804
"563126"	500.313952	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+2Cl"	69.938804
"1034109"	190.084252	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2Cl"	69.938804
"1250408"	389.148585	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Br"	78.918885
"1312856"	391.204572	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Cl+HCOOH"	80.974872
"1331446"	413.186529	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Cl+NaCOOH"	102.956829
"919223"	423.215286	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M-H+CF3COOH"	112.985586
"1301036"	459.191964	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Cl+CF3COOH"	148.962264
"1380657"	275.217024	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H-2H2O"	-35.012676
"1389405"	293.227	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H-H2O"	-17.0027
"291280"	621.466676	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+H"	1.007276
"682610"	931.696376	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+H"	1.007276
"1356774"	311.236976	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H"	1.007276
"134037"	311.236976	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+2H"	2.014552
"578341"	466.351826	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+2H"	2.014552
"1050054"	156.122126	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2H"	2.014552
"217956"	207.827076	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+3H"	3.021828
"656784"	311.236976	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+3H"	3.021828
"1174180"	104.417176	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+3H"	3.021828
"436360"	638.493223	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+NH4"	18.033823
"795169"	948.722923	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+NH4"	18.033823
"1688583"	328.263523	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+NH4"	18.033823
"337593"	319.7502495	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+H+NH4"	19.041099
"728191"	474.8650995	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+H+NH4"	19.041099
"1487485"	164.6353995	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H+NH4"	19.041099
"402884"	643.448618	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+Na"	22.989218
"759507"	953.678318	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+Na"	22.989218
"1607604"	333.218918	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Na"	22.989218
"317642"	322.227947	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+H+Na"	23.996494
"715527"	477.342797	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+H+Na"	23.996494
"1461817"	167.113097	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H+Na"	23.996494
"1054940"	111.74449	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2H+Na"	25.00377
"1264280"	343.263186	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+CH3OH+H"	33.033486
"380668"	659.422558	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+K"	38.963158
"740568"	969.652258	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+K"	38.963158
"1541896"	349.192858	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+K"	38.963158
"304176"	330.214917	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+H+K"	39.970434
"697690"	485.329767	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+H+K"	39.970434
"1449322"	175.100067	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H+K"	39.970434
"239017"	662.493226	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+ACN+H"	42.033826
"1216104"	352.263526	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+ACN+H"	42.033826
"1198896"	176.635401	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+ACN+2H"	43.041102
"191768"	665.43056	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+2Na-H"	44.97116
"633516"	975.66026	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+2Na-H"	44.97116
"1137020"	355.20086	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2Na-H"	44.97116
"175937"	333.218918	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+2Na"	45.978436
"614523"	488.333768	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+2Na"	45.978436
"1115878"	178.104068	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2Na"	45.978436
"1399609"	119.071804	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H+2Na"	46.985712
"1433550"	357.242446	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H+HCOOH"	47.012746
"220159"	338.25194	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+3H2O+2H"	56.04448
"1508995"	371.29449	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+IsoProp+H"	61.06479
"408962"	341.205888	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+Na+K"	61.952376
"778552"	496.320738	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+Na+K"	61.952376
"1672695"	186.091038	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Na+K"	61.952376
"255939"	684.475168	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+ACN+Na"	64.015768
"1234117"	374.245468	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+ACN+Na"	64.015768
"1720818"	374.268993	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+NH4+HCOOH"	64.039293
"1183987"	126.399118	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+3Na"	68.967654
"1662627"	379.224388	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Na+HCOOH"	68.994688
"168396"	697.37844	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+2K-H"	76.91904
"599209"	1007.60814	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+2K-H"	76.91904
"1096844"	387.14874	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2K-H"	76.91904
"149287"	349.192858	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"2M+2K"	77.926316
"592128"	504.307708	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"3M+2K"	77.926316
"1076641"	194.078008	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2K"	77.926316
"1102193"	389.163292	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2K+H"	78.933592
"1345143"	389.250907	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+DMSO+H"	79.021207
"1013674"	393.290076	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2ACN+H"	83.060376
"1532893"	394.283708	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+IsoProp+Na+H"	84.054008
"998247"	197.148676	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+2ACN+2H"	84.067652
"1592751"	395.198328	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+K+HCOOH"	84.968628
"1423878"	425.229838	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+H+CF3COOH"	115.000138
"1158541"	217.661951	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+3ACN+2H"	125.094202
"1706998"	442.256385	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+NH4+CF3COOH"	132.026685
"1643745"	447.21178	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+Na+CF3COOH"	136.98208
"1583768"	463.18572	"C06734"	"14-apo-beta-Carotenal"	"C22H30O"	"310.2297"	"M+K+CF3COOH"	152.95602
"805387"	59.0371	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M"	0
"977094"	40.01871	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-H2O-H"	-19.01839
"64974"	38.3507906666667	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M-3H"	-3.021828
"505627"	58.029824	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M-3H"	-3.021828
"889997"	18.6717573333333	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-3H"	-3.021828
"9666"	58.029824	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M-2H"	-2.014552
"443757"	87.548374	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M-2H"	-2.014552
"821558"	28.511274	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-2H"	-2.014552
"79239"	117.066924	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M-H"	-1.007276
"521109"	176.104024	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M-H"	-1.007276
"898911"	58.029824	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-H"	-1.007276
"56564"	134.093471	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M-2H+NH4"	16.019271
"496123"	193.130571	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M-2H+NH4"	16.019271
"866274"	75.056371	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-2H+NH4"	16.019271
"33563"	139.048866	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M-2H+Na"	20.974666
"475185"	198.085966	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M-2H+Na"	20.974666
"851893"	80.011766	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-2H+Na"	20.974666
"1621065"	80.011766	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Na-2H"	20.974666
"94800"	76.018163	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M-H+Cl"	33.962126
"536421"	105.536713	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M-H+Cl"	33.962126
"930678"	46.499613	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-H+Cl"	33.962126
"274706"	153.043602	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+Cl"	34.969402
"664942"	212.080702	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+Cl"	34.969402
"1278438"	94.006502	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Cl"	34.969402
"22087"	155.022806	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M-2H+K"	36.948606
"457275"	214.059906	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M-2H+K"	36.948606
"835443"	95.985706	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-2H+K"	36.948606
"1557106"	95.985706	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+K-2H"	36.948606
"944259"	104.035294	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-H+HCOOH"	44.998194
"365026"	163.072401	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+HCOOH-H"	44.998201
"348179"	177.088051	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+Hac-H"	59.013851
"1495187"	118.050951	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Hac-H"	59.013851
"960541"	126.017251	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-H+NaCOOH"	66.980151
"113464"	94.006502	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+2Cl"	69.938804
"554848"	123.525052	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+2Cl"	69.938804
"1033126"	64.487952	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2Cl"	69.938804
"1249423"	137.955985	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Br"	78.918885
"1312966"	140.011972	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Cl+HCOOH"	80.974872
"1331555"	161.993929	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Cl+NaCOOH"	102.956829
"921520"	172.022686	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M-H+CF3COOH"	112.985586
"1301146"	207.999364	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Cl+CF3COOH"	148.962264
"1380402"	24.024424	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H-2H2O"	-35.012676
"1388422"	42.0344	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H-H2O"	-17.0027
"288109"	119.081476	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+H"	1.007276
"682720"	178.118576	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+H"	1.007276
"1355790"	60.044376	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H"	1.007276
"130866"	60.044376	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+2H"	2.014552
"579178"	89.562926	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+2H"	2.014552
"1047976"	30.525826	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2H"	2.014552
"215877"	40.3653426666667	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+3H"	3.021828
"653978"	60.044376	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+3H"	3.021828
"1172468"	20.6863093333333	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+3H"	3.021828
"434648"	136.108023	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+NH4"	18.033823
"795643"	195.145123	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+NH4"	18.033823
"1689786"	77.070923	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+NH4"	18.033823
"335881"	68.5576495	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+H+NH4"	19.041099
"727208"	98.0761995	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+H+NH4"	19.041099
"1490876"	39.0390995	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H+NH4"	19.041099
"405181"	141.063418	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+Na"	22.989218
"762897"	200.100518	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+Na"	22.989218
"1612088"	82.026318	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Na"	22.989218
"321032"	71.035347	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+H+Na"	23.996494
"717823"	100.553897	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+H+Na"	23.996494
"1463993"	41.516797	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H+Na"	23.996494
"1056143"	28.0136233333333	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2H+Na"	25.00377
"1267670"	92.070586	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+CH3OH+H"	33.033486
"380778"	157.037358	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+K"	38.963158
"739585"	216.074458	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+K"	38.963158
"1540911"	98.000258	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+K"	38.963158
"307566"	79.022317	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+H+K"	39.970434
"701081"	108.540867	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+H+K"	39.970434
"1449432"	49.503767	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H+K"	39.970434
"239491"	160.108026	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+ACN+H"	42.033826
"1217307"	101.070926	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+ACN+H"	42.033826
"1201193"	51.039101	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+ACN+2H"	43.041102
"191877"	163.04536	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+2Na-H"	44.97116
"632532"	222.08246	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+2Na-H"	44.97116
"1134943"	104.00826	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2Na-H"	44.97116
"179326"	82.026318	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+2Na"	45.978436
"614755"	111.544868	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+2Na"	45.978436
"1118020"	52.507768	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2Na"	45.978436
"1399719"	35.3409373333333	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H+2Na"	46.985712
"1433660"	106.049846	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H+HCOOH"	47.012746
"220148"	87.05934	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+3H2O+2H"	56.04448
"1508451"	120.10189	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+IsoProp+H"	61.06479
"408748"	90.013288	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+Na+K"	61.952376
"776476"	119.531838	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+Na+K"	61.952376
"1670619"	60.494738	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Na+K"	61.952376
"261516"	182.089968	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+ACN+Na"	64.015768
"1234227"	123.052868	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+ACN+Na"	64.015768
"1719834"	123.076393	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+NH4+HCOOH"	64.039293
"1186283"	42.6682513333333	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+3Na"	68.967654
"1663830"	128.031788	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Na+HCOOH"	68.994688
"168506"	194.99324	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+2K-H"	76.91904
"602599"	254.03034	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+2K-H"	76.91904
"1097319"	135.95614	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2K-H"	76.91904
"147210"	98.000258	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"2M+2K"	77.926316
"593331"	127.518808	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"3M+2K"	77.926316
"1076751"	68.481708	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2K"	77.926316
"1102305"	137.970692	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2K+H"	78.933592
"1345253"	138.058307	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+DMSO+H"	79.021207
"1013784"	142.097476	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2ACN+H"	83.060376
"1535189"	143.091108	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+IsoProp+Na+H"	84.054008
"998356"	71.552376	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+2ACN+2H"	84.067652
"1592861"	144.005728	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+K+HCOOH"	84.968628
"1423988"	174.037238	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+H+CF3COOH"	115.000138
"1161931"	92.065651	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+3ACN+2H"	125.094202
"1703828"	191.063785	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+NH4+CF3COOH"	132.026685
"1644947"	196.01918	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+Na+CF3COOH"	136.98208
"1583878"	211.99312	"C06735"	"Aminoacetaldehyde;2-Aminoacetaldehyde"	"C2H5NO"	"59.0371"	"M+K+CF3COOH"	152.95602
"810965"	975.2979	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M"	0
"974657"	956.27951	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H2O-H"	-19.01839
"70552"	649.191324	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-3H"	-3.021828
"511206"	974.290624	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-3H"	-3.021828
"889013"	324.092024	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-3H"	-3.021828
"7589"	974.290624	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H"	-2.014552
"443867"	1461.939574	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H"	-2.014552
"818630"	486.641674	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H"	-2.014552
"80808"	1949.588524	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-H"	-1.007276
"523406"	2924.886424	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-H"	-1.007276
"900114"	974.290624	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H"	-1.007276
"57767"	1966.615071	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+NH4"	16.019271
"496234"	2941.912971	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+NH4"	16.019271
"867479"	991.317171	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+NH4"	16.019271
"34768"	1971.570466	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+Na"	20.974666
"473114"	2946.868366	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+Na"	20.974666
"850429"	996.272566	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+Na"	20.974666
"1621176"	996.272566	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na-2H"	20.974666
"96976"	992.278963	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-H+Cl"	33.962126
"536168"	1479.927913	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-H+Cl"	33.962126
"929694"	504.630013	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+Cl"	33.962126
"268977"	1985.565202	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Cl"	34.969402
"665050"	2960.863102	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Cl"	34.969402
"1281827"	1010.267302	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl"	34.969402
"23289"	1987.544406	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+K"	36.948606
"457143"	2962.842306	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+K"	36.948606
"837376"	1012.246506	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+K"	36.948606
"1558311"	1012.246506	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K-2H"	36.948606
"945828"	1020.296094	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+HCOOH"	44.998194
"365866"	1995.594001	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+HCOOH-H"	44.998201
"347317"	2009.609651	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Hac-H"	59.013851
"1495300"	1034.311751	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Hac-H"	59.013851
"961748"	1042.278051	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+NaCOOH"	66.980151
"116128"	1010.267302	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Cl"	69.938804
"553865"	1497.916252	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Cl"	69.938804
"1033236"	522.618352	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Cl"	69.938804
"1255002"	1054.216785	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Br"	78.918885
"1309429"	1056.272772	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+HCOOH"	80.974872
"1326197"	1078.254729	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+NaCOOH"	102.956829
"920537"	1088.283486	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+CF3COOH"	112.985586
"1301620"	1124.260164	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+CF3COOH"	148.962264
"1375409"	940.285224	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H-2H2O"	-35.012676
"1387438"	958.2952	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H-H2O"	-17.0027
"286031"	1951.603076	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H"	1.007276
"680642"	2926.900976	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H"	1.007276
"1352982"	976.305176	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H"	1.007276
"127694"	976.305176	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2H"	2.014552
"576005"	1463.954126	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2H"	2.014552
"1048086"	488.656226	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2H"	2.014552
"215623"	651.205876	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+3H"	3.021828
"654452"	976.305176	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+3H"	3.021828
"1173671"	326.106576	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3H"	3.021828
"435851"	1968.629623	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+NH4"	18.033823
"794660"	2943.927523	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+NH4"	18.033823
"1689896"	993.331723	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4"	18.033823
"334898"	984.8184495	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+NH4"	19.041099
"729504"	1472.4673995	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+NH4"	19.041099
"1489893"	497.1694995	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+NH4"	19.041099
"406387"	1973.585018	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Na"	22.989218
"768474"	2948.882918	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Na"	22.989218
"1613292"	998.287118	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na"	22.989218
"325515"	987.296147	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+Na"	23.996494
"716842"	1474.945097	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+Na"	23.996494
"1465197"	499.647197	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+Na"	23.996494
"1056253"	333.43389	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2H+Na"	25.00377
"1267780"	1008.331386	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+CH3OH+H"	33.033486
"381981"	1989.558958	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+K"	38.963158
"739697"	2964.856858	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+K"	38.963158
"1542846"	1014.261058	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K"	38.963158
"307676"	995.283117	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+K"	39.970434
"703377"	1482.932067	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+K"	39.970434
"1449542"	507.634167	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+K"	39.970434
"242517"	1992.629626	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+ACN+H"	42.033826
"1215233"	1017.331726	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+H"	42.033826
"1195835"	509.169501	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+2H"	43.041102
"189061"	1995.56696	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Na-H"	44.97116
"629238"	2970.86486	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Na-H"	44.97116
"1137239"	1020.26906	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Na-H"	44.97116
"177249"	998.287118	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Na"	45.978436
"615714"	1485.936068	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Na"	45.978436
"1118124"	510.638168	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Na"	45.978436
"1403835"	340.761204	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+2Na"	46.985712
"1434858"	1022.310646	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+HCOOH"	47.012746
"221395"	1003.32014	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+3H2O+2H"	56.04448
"1508849"	1036.36269	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+IsoProp+H"	61.06479
"409148"	1006.274088	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Na+K"	61.952376
"779866"	1493.923038	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Na+K"	61.952376
"1666354"	518.625138	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+K"	61.952376
"262356"	2014.611568	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+ACN+Na"	64.015768
"1228870"	1039.313668	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+Na"	64.015768
"1715568"	1039.337193	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4+HCOOH"	64.039293
"1186393"	348.088518	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3Na"	68.967654
"1663940"	1044.292588	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+HCOOH"	68.994688
"166429"	2027.51484	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2K-H"	76.91904
"607084"	3002.81274	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2K-H"	76.91904
"1097065"	1052.21694	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K-H"	76.91904
"147320"	1014.261058	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2K"	77.926316
"590161"	1501.910008	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2K"	77.926316
"1076861"	526.612108	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K"	77.926316
"1105696"	1054.231492	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K+H"	78.933592
"1344269"	1054.319107	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+DMSO+H"	79.021207
"1011707"	1058.358276	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2ACN+H"	83.060376
"1529833"	1059.351908	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+IsoProp+Na+H"	84.054008
"1000653"	529.682776	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2ACN+2H"	84.067652
"1592970"	1060.266528	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K+HCOOH"	84.968628
"1424098"	1090.298038	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+CF3COOH"	115.000138
"1156573"	550.196051	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3ACN+2H"	125.094202
"1703938"	1107.324585	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4+CF3COOH"	132.026685
"1645057"	1112.27998	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+CF3COOH"	136.98208
"1583988"	1128.25392	"C06736"	"(E)-11-Tetradecenoyl-CoA;(11E)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K+CF3COOH"	152.95602
"804514"	975.2979	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M"	0
"975130"	956.27951	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H2O-H"	-19.01839
"70662"	649.191324	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-3H"	-3.021828
"513502"	974.290624	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-3H"	-3.021828
"889123"	324.092024	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-3H"	-3.021828
"6606"	974.290624	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H"	-2.014552
"442884"	1461.939574	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H"	-2.014552
"822870"	486.641674	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H"	-2.014552
"85048"	1949.588524	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-H"	-1.007276
"528982"	2924.886424	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-H"	-1.007276
"905689"	974.290624	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H"	-1.007276
"60914"	1966.615071	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+NH4"	16.019271
"499626"	2941.912971	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+NH4"	16.019271
"871962"	991.317171	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+NH4"	16.019271
"39859"	1971.570466	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+Na"	20.974666
"477234"	2946.868366	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+Na"	20.974666
"852848"	996.272566	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+Na"	20.974666
"1624568"	996.272566	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na-2H"	20.974666
"102191"	992.278963	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-H+Cl"	33.962126
"538106"	1479.927913	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-H+Cl"	33.962126
"929075"	504.630013	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+Cl"	33.962126
"272734"	1985.565202	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Cl"	34.969402
"662970"	2960.863102	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Cl"	34.969402
"1275372"	1010.267302	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl"	34.969402
"22304"	1987.544406	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M-2H+K"	36.948606
"462964"	2962.842306	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M-2H+K"	36.948606
"837486"	1012.246506	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-2H+K"	36.948606
"1564253"	1012.246506	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K-2H"	36.948606
"955779"	1020.296094	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+HCOOH"	44.998194
"368163"	1995.594001	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+HCOOH-H"	44.998201
"352046"	2009.609651	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Hac-H"	59.013851
"1500881"	1034.311751	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Hac-H"	59.013851
"966234"	1042.278051	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+NaCOOH"	66.980151
"122436"	1010.267302	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Cl"	69.938804
"555796"	1497.916252	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Cl"	69.938804
"1033346"	522.618352	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Cl"	69.938804
"1254019"	1054.216785	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Br"	78.918885
"1316465"	1056.272772	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+HCOOH"	80.974872
"1332869"	1078.254729	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+NaCOOH"	102.956829
"923928"	1088.283486	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M-H+CF3COOH"	112.985586
"1298449"	1124.260164	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Cl+CF3COOH"	148.962264
"1378799"	940.285224	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H-2H2O"	-35.012676
"1391922"	958.2952	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H-H2O"	-17.0027
"291609"	1951.603076	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H"	1.007276
"685490"	2926.900976	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H"	1.007276
"1356008"	976.305176	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H"	1.007276
"130356"	976.305176	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2H"	2.014552
"579762"	1463.954126	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2H"	2.014552
"1047468"	488.656226	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2H"	2.014552
"217920"	651.205876	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+3H"	3.021828
"658939"	976.305176	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+3H"	3.021828
"1173783"	326.106576	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3H"	3.021828
"437057"	1968.629623	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+NH4"	18.033823
"799875"	2943.927523	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+NH4"	18.033823
"1691102"	993.331723	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4"	18.033823
"340477"	984.8184495	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+NH4"	19.041099
"735083"	1472.4673995	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+NH4"	19.041099
"1491099"	497.1694995	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+NH4"	19.041099
"406498"	1973.585018	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Na"	22.989218
"767491"	2948.882918	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Na"	22.989218
"1612310"	998.287118	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na"	22.989218
"328908"	987.296147	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+Na"	23.996494
"721084"	1474.945097	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+Na"	23.996494
"1469679"	499.647197	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+Na"	23.996494
"1062925"	333.43389	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2H+Na"	25.00377
"1266797"	1008.331386	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+CH3OH+H"	33.033486
"378811"	1989.558958	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+K"	38.963158
"740292"	2964.856858	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+K"	38.963158
"1546236"	1014.261058	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K"	38.963158
"305599"	995.283117	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+H+K"	39.970434
"703487"	1482.932067	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+H+K"	39.970434
"1452933"	507.634167	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+K"	39.970434
"243720"	1992.629626	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+ACN+H"	42.033826
"1218623"	1017.331726	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+H"	42.033826
"1195581"	509.169501	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+2H"	43.041102
"189785"	1995.56696	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Na-H"	44.97116
"632752"	2970.86486	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Na-H"	44.97116
"1141721"	1020.26906	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Na-H"	44.97116
"178454"	998.287118	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2Na"	45.978436
"619104"	1485.936068	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2Na"	45.978436
"1120421"	510.638168	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2Na"	45.978436
"1408319"	340.761204	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+2Na"	46.985712
"1439341"	1022.310646	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+HCOOH"	47.012746
"223571"	1003.32014	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+3H2O+2H"	56.04448
"1509691"	1036.36269	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+IsoProp+H"	61.06479
"413509"	1006.274088	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+Na+K"	61.952376
"779976"	1493.923038	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+Na+K"	61.952376
"1668650"	518.625138	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+K"	61.952376
"256270"	2014.611568	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+ACN+Na"	64.015768
"1231165"	1039.313668	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+ACN+Na"	64.015768
"1713492"	1039.337193	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4+HCOOH"	64.039293
"1183223"	348.088518	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3Na"	68.967654
"1655302"	1044.292588	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+HCOOH"	68.994688
"163259"	2027.51484	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2K-H"	76.91904
"600632"	3002.81274	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2K-H"	76.91904
"1088425"	1052.21694	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K-H"	76.91904
"147430"	1014.261058	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"2M+2K"	77.926316
"583710"	1501.910008	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"3M+2K"	77.926316
"1069436"	526.612108	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K"	77.926316
"1105806"	1054.231492	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2K+H"	78.933592
"1343285"	1054.319107	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+DMSO+H"	79.021207
"1011817"	1058.358276	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2ACN+H"	83.060376
"1528849"	1059.351908	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+IsoProp+Na+H"	84.054008
"999670"	529.682776	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+2ACN+2H"	84.067652
"1593080"	1060.266528	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K+HCOOH"	84.968628
"1415459"	1090.298038	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+H+CF3COOH"	115.000138
"1148056"	550.196051	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+3ACN+2H"	125.094202
"1704048"	1107.324585	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+NH4+CF3COOH"	132.026685
"1645166"	1112.27998	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+Na+CF3COOH"	136.98208
"1576443"	1128.25392	"C06737"	"(Z)-11-Tetradecenoyl-CoA;(11Z)-Tetradecenoyl-CoA"	"C35H60N7O17P3S"	"975.2979"	"M+K+CF3COOH"	152.95602
"814465"	164.0473	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M"	0
"984719"	145.02891	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"74054"	108.357590666667	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"517989"	163.040024	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"892509"	53.6751573333333	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"6716"	163.040024	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"445180"	245.063674	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"826260"	81.016374	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"90261"	327.087324	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"530187"	491.134624	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"907990"	163.040024	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"60176"	344.113871	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"502655"	508.161171	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"875356"	180.066571	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"37788"	349.069266	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"475161"	513.116566	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"854051"	185.021966	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1623585"	185.021966	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"99021"	181.028363	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"536028"	263.052013	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"932102"	99.004713	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"275033"	363.064002	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"663444"	527.111302	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1275482"	199.016702	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"22414"	365.043206	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"466356"	529.090506	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"843064"	200.995906	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1564365"	200.995906	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"953340"	209.045494	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"368274"	373.092801	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"349243"	387.108451	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1497712"	223.061151	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"962699"	231.027451	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"122546"	199.016702	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"559189"	281.040352	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1032363"	116.993052	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1254494"	242.966185	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1313295"	245.022172	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1334075"	267.004129	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"924038"	277.032886	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1301842"	313.009564	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1376723"	129.034624	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1390939"	147.0446	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"296095"	329.101876	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"688882"	493.149176	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1359400"	165.054576	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"132289"	165.054576	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"575861"	247.078226	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1047942"	83.030926	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"218394"	110.372142666667	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"658321"	165.054576	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1176080"	55.6897093333333	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"437166"	346.128423	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"799257"	510.175723	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1692306"	182.081123	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"342043"	173.5678495	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"734101"	255.5914995	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1490847"	91.5441995	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"407705"	351.083818	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"769434"	515.131118	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1614610"	187.036518	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"327925"	176.045547	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"719252"	258.069197	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1473071"	94.021897	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1064129"	63.0170233333333	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1264723"	197.080786	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"384389"	367.057758	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"740644"	531.105058	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1543066"	203.010458	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"302429"	184.032517	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"702504"	266.056167	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1453043"	102.008867	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"250878"	370.128426	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1222015"	206.081126	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1199336"	103.544201	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"190019"	373.06576	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"633956"	537.11306	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1139648"	209.01846	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"184031"	187.036518	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"620308"	269.060168	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1128187"	105.012868	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1410620"	70.3443373333333	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1439455"	211.060046	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"228055"	192.06954	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1510654"	225.11209	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"410705"	195.023488	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"781180"	277.047138	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1667668"	112.999838	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"264035"	392.110368	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1235649"	228.063068	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1715789"	228.086593	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1180416"	77.6716513333333	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1655412"	233.041988	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"164462"	405.01364	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"601835"	569.06094	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1092909"	240.96634	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"144259"	203.010458	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"586006"	285.034108	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1075985"	120.986808	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1102635"	242.980892	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1340113"	243.068507	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1008646"	247.107676	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1531146"	248.101308	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"997593"	124.057476	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1593190"	249.015928	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1416663"	279.047438	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1148409"	144.570751	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1704158"	296.073985	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1641996"	301.02938	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1575460"	317.00332	"C06738"	"cis-p-Coumarate"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"811295"	326.1002	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M"	0
"988721"	307.08181	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-H2O-H"	-19.01839
"74165"	216.392857333333	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M-3H"	-3.021828
"515914"	325.092924	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M-3H"	-3.021828
"891528"	107.692790666667	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-3H"	-3.021828
"11201"	325.092924	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M-2H"	-2.014552
"445291"	488.143024	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M-2H"	-2.014552
"824185"	162.042824	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-2H"	-2.014552
"88549"	651.193124	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M-H"	-1.007276
"528112"	977.293324	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M-H"	-1.007276
"909684"	325.092924	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-H"	-1.007276
"61383"	668.219671	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M-2H+NH4"	16.019271
"497660"	994.319871	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M-2H+NH4"	16.019271
"877654"	342.119471	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-2H+NH4"	16.019271
"38991"	673.175066	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M-2H+Na"	20.974666
"475271"	999.275266	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M-2H+Na"	20.974666
"850882"	347.074866	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-2H+Na"	20.974666
"1622603"	347.074866	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Na-2H"	20.974666
"95852"	343.081263	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M-H+Cl"	33.962126
"537598"	506.131363	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M-H+Cl"	33.962126
"932212"	180.031163	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-H+Cl"	33.962126
"275143"	687.169802	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+Cl"	34.969402
"662461"	1013.270002	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+Cl"	34.969402
"1276685"	361.069602	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Cl"	34.969402
"20337"	689.149006	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M-2H+K"	36.948606
"465371"	1015.249206	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M-2H+K"	36.948606
"842079"	363.048806	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-2H+K"	36.948606
"1561922"	363.048806	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+K-2H"	36.948606
"954542"	371.098394	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-H+HCOOH"	44.998194
"370570"	697.198601	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+HCOOH-H"	44.998201
"349717"	711.214251	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+Hac-H"	59.013851
"1501102"	385.114051	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Hac-H"	59.013851
"961714"	393.080351	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-H+NaCOOH"	66.980151
"117186"	361.069602	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+2Cl"	69.938804
"558206"	524.119702	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+2Cl"	69.938804
"1028462"	198.019502	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2Cl"	69.938804
"1249863"	405.019085	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Br"	78.918885
"1311218"	407.075072	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Cl+HCOOH"	80.974872
"1329809"	429.057029	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Cl+NaCOOH"	102.956829
"920867"	439.085786	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M-H+CF3COOH"	112.985586
"1297575"	475.062464	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Cl+CF3COOH"	148.962264
"1374645"	291.087524	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H-2H2O"	-35.012676
"1386673"	309.0975	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H-H2O"	-17.0027
"292925"	653.207676	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+H"	1.007276
"685712"	979.307876	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+H"	1.007276
"1357324"	327.107476	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H"	1.007276
"137503"	327.107476	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+2H"	2.014552
"577064"	490.157576	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+2H"	2.014552
"1050968"	164.057376	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2H"	2.014552
"218874"	218.407409333333	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+3H"	3.021828
"658435"	327.107476	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+3H"	3.021828
"1176196"	109.707342666667	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+3H"	3.021828
"438009"	670.234223	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+NH4"	18.033823
"799004"	996.334423	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+NH4"	18.033823
"1693509"	344.134023	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+NH4"	18.033823
"339604"	335.6207495	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+H+NH4"	19.041099
"734211"	498.6708495	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+H+NH4"	19.041099
"1492056"	172.5706495	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H+NH4"	19.041099
"408304"	675.189618	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+Na"	22.989218
"769669"	1001.289818	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+Na"	22.989218
"1618247"	349.089418	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Na"	22.989218
"329934"	338.098447	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+H+Na"	23.996494
"721918"	501.148547	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+H+Na"	23.996494
"1475006"	175.048347	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H+Na"	23.996494
"1068013"	117.034656666667	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2H+Na"	25.00377
"1270302"	359.133686	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+CH3OH+H"	33.033486
"387783"	691.163558	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+K"	38.963158
"746589"	1017.263758	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+K"	38.963158
"1545363"	365.063358	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+K"	38.963158
"306913"	346.085417	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+H+K"	39.970434
"706262"	509.135517	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+H+K"	39.970434
"1459353"	183.035317	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H+K"	39.970434
"248681"	694.234226	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+ACN+H"	42.033826
"1223951"	368.134026	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+ACN+H"	42.033826
"1206736"	184.570651	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+ACN+2H"	43.041102
"195600"	697.17156	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+2Na-H"	44.97116
"638440"	1023.27176	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+2Na-H"	44.97116
"1144497"	371.07136	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2Na-H"	44.97116
"188150"	349.089418	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+2Na"	45.978436
"621879"	512.139518	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+2Na"	45.978436
"1126112"	186.039318	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2Na"	45.978436
"1410729"	124.361970666667	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H+2Na"	46.985712
"1434102"	373.112946	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H+HCOOH"	47.012746
"229259"	354.12244	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+3H2O+2H"	56.04448
"1516229"	387.16499	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+IsoProp+H"	61.06479
"413731"	357.076388	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+Na+K"	61.952376
"782020"	520.126488	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+Na+K"	61.952376
"1673247"	194.026288	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Na+K"	61.952376
"257586"	716.216168	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+ACN+Na"	64.015768
"1227015"	390.115968	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+ACN+Na"	64.015768
"1717358"	390.139493	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+NH4+HCOOH"	64.039293
"1186723"	131.689284666667	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+3Na"	68.967654
"1658801"	395.094888	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Na+HCOOH"	68.994688
"171984"	729.11944	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+2K-H"	76.91904
"610331"	1055.21964	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+2K-H"	76.91904
"1098366"	403.01924	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2K-H"	76.91904
"149837"	365.063358	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"2M+2K"	77.926316
"585024"	528.113458	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"3M+2K"	77.926316
"1077192"	202.013258	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2K"	77.926316
"1109309"	405.033792	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2K+H"	78.933592
"1344599"	405.121407	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+DMSO+H"	79.021207
"1012037"	409.160576	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2ACN+H"	83.060376
"1532350"	410.154208	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+IsoProp+Na+H"	84.054008
"997703"	205.083926	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+2ACN+2H"	84.067652
"1593300"	411.068828	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+K+HCOOH"	84.968628
"1417866"	441.100338	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+H+CF3COOH"	115.000138
"1148276"	225.597201	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+3ACN+2H"	125.094202
"1704268"	458.126885	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+NH4+CF3COOH"	132.026685
"1638825"	463.08228	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+Na+CF3COOH"	136.98208
"1576663"	479.05622	"C06739"	"4-O-beta-D-Glucosyl-cis-p-coumarate"	"C15H18O8"	"326.1002"	"M+K+CF3COOH"	152.95602
"804844"	650.2575	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M"	0
"981659"	631.23911	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-H2O-H"	-19.01839
"70993"	432.497724	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M-3H"	-3.021828
"516871"	649.250224	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M-3H"	-3.021828
"888356"	215.745224	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-3H"	-3.021828
"3656"	649.250224	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M-2H"	-2.014552
"444307"	974.378974	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M-2H"	-2.014552
"822107"	324.121474	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-2H"	-2.014552
"88660"	1299.507724	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M-H"	-1.007276
"531138"	1949.765224	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M-H"	-1.007276
"907846"	649.250224	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-H"	-1.007276
"58940"	1316.534271	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M-2H+NH4"	16.019271
"500686"	1966.791771	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M-2H+NH4"	16.019271
"875941"	666.276771	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-2H+NH4"	16.019271
"34727"	1321.489666	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M-2H+Na"	20.974666
"471733"	1971.747166	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M-2H+Na"	20.974666
"849898"	671.232166	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-2H+Na"	20.974666
"1620523"	671.232166	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Na-2H"	20.974666
"95960"	667.238563	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M-H+Cl"	33.962126
"536614"	992.367313	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M-H+Cl"	33.962126
"927172"	342.109813	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-H+Cl"	33.962126
"268692"	1335.484402	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+Cl"	34.969402
"662571"	1985.741902	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+Cl"	34.969402
"1273024"	685.226902	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Cl"	34.969402
"15760"	1337.463606	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M-2H+K"	36.948606
"456971"	1987.721106	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M-2H+K"	36.948606
"840365"	687.206106	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-2H+K"	36.948606
"1562396"	687.206106	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+K-2H"	36.948606
"948820"	695.255694	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-H+HCOOH"	44.998194
"367036"	1345.513201	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+HCOOH-H"	44.998201
"350921"	1359.528851	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+Hac-H"	59.013851
"1502306"	709.271351	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Hac-H"	59.013851
"961824"	717.237651	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-H+NaCOOH"	66.980151
"117296"	685.226902	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+2Cl"	69.938804
"557223"	1010.355652	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+2Cl"	69.938804
"1028572"	360.098152	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2Cl"	69.938804
"1243775"	729.176385	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Br"	78.918885
"1306952"	731.232372	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Cl+HCOOH"	80.974872
"1326639"	753.214329	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Cl+NaCOOH"	102.956829
"917698"	763.243086	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M-H+CF3COOH"	112.985586
"1295499"	799.219764	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Cl+CF3COOH"	148.962264
"1375849"	615.244824	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H-2H2O"	-35.012676
"1387876"	633.2548	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H-H2O"	-17.0027
"292671"	1301.522276	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+H"	1.007276
"686550"	1951.779776	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+H"	1.007276
"1356339"	651.264776	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H"	1.007276
"129593"	651.264776	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+2H"	2.014552
"575351"	976.393526	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+2H"	2.014552
"1046338"	326.136026	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2H"	2.014552
"216427"	434.512276	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+3H"	3.021828
"657810"	651.264776	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+3H"	3.021828
"1175211"	217.759776	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+3H"	3.021828
"437027"	1318.548823	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+NH4"	18.033823
"797291"	1968.806323	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+NH4"	18.033823
"1688155"	668.291323	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+NH4"	18.033823
"338619"	659.7780495	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+H+NH4"	19.041099
"731042"	984.9067995	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+H+NH4"	19.041099
"1492485"	334.6492995	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H+NH4"	19.041099
"407802"	1323.504218	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+Na"	22.989218
"769042"	1973.761718	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+Na"	22.989218
"1617625"	673.246718	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Na"	22.989218
"329122"	662.255747	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+H+Na"	23.996494
"722393"	987.384497	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+H+Na"	23.996494
"1472197"	337.126997	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H+Na"	23.996494
"1064351"	225.08709	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2H+Na"	25.00377
"1269311"	683.290986	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+CH3OH+H"	33.033486
"386799"	1339.478158	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+K"	38.963158
"747793"	1989.735658	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+K"	38.963158
"1542193"	689.220658	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+K"	38.963158
"309210"	670.242717	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+H+K"	39.970434
"702725"	995.371467	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+H+K"	39.970434
"1458732"	345.113967	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H+K"	39.970434
"249155"	1342.548826	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+ACN+H"	42.033826
"1223696"	692.291326	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+ACN+H"	42.033826
"1205753"	346.649301	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+ACN+2H"	43.041102
"197897"	1345.48616	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+2Na-H"	44.97116
"641832"	1995.74366	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+2Na-H"	44.97116
"1143879"	695.22866	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2Na-H"	44.97116
"186803"	673.246718	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+2Na"	45.978436
"621626"	998.375468	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+2Na"	45.978436
"1125129"	348.117968	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2Na"	45.978436
"1406466"	232.414404	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H+2Na"	46.985712
"1435306"	697.270246	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H+HCOOH"	47.012746
"227183"	678.27974	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+3H2O+2H"	56.04448
"1512330"	711.32229	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+IsoProp+H"	61.06479
"414934"	681.233688	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+Na+K"	61.952376
"783588"	1006.362438	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+Na+K"	61.952376
"1673357"	356.104938	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Na+K"	61.952376
"257697"	1364.530768	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+ACN+Na"	64.015768
"1240246"	714.273268	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+ACN+Na"	64.015768
"1716010"	714.296793	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+NH4+HCOOH"	64.039293
"1185737"	239.741718	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+3Na"	68.967654
"1656725"	719.252188	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Na+HCOOH"	68.994688
"171971"	1377.43404	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+2K-H"	76.91904
"611173"	2027.69154	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+2K-H"	76.91904
"1096776"	727.17654	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2K-H"	76.91904
"152865"	689.220658	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"2M+2K"	77.926316
"590602"	1014.349408	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"3M+2K"	77.926316
"1076209"	364.091908	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2K"	77.926316
"1109419"	729.191092	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2K+H"	78.933592
"1344710"	729.278707	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+DMSO+H"	79.021207
"1011053"	733.317876	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2ACN+H"	83.060376
"1532460"	734.311508	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+IsoProp+Na+H"	84.054008
"997814"	367.162576	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+2ACN+2H"	84.067652
"1595597"	735.226128	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+K+HCOOH"	84.968628
"1420163"	765.257638	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+H+CF3COOH"	115.000138
"1150452"	387.675851	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+3ACN+2H"	125.094202
"1701097"	782.284185	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+NH4+CF3COOH"	132.026685
"1636748"	787.23958	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+Na+CF3COOH"	136.98208
"1576773"	803.21352	"C06740"	"Glucosyl-limonin;Limonin 17-beta-D-glucoside"	"C32H42O14"	"650.2575"	"M+K+CF3COOH"	152.95602
"812611"	234.0351	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M"	0
"986143"	215.01671	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-H2O-H"	-19.01839
"74386"	155.016124	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M-3H"	-3.021828
"515041"	233.027824	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M-3H"	-3.021828
"886284"	77.004424	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-3H"	-3.021828
"8136"	233.027824	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M-2H"	-2.014552
"447694"	350.045374	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M-2H"	-2.014552
"824404"	116.010274	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-2H"	-2.014552
"86583"	467.062924	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M-H"	-1.007276
"527239"	701.098024	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M-H"	-1.007276
"907227"	233.027824	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-H"	-1.007276
"57227"	484.089471	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M-2H+NH4"	16.019271
"496792"	718.124571	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M-2H+NH4"	16.019271
"874594"	250.054371	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-2H+NH4"	16.019271
"41399"	489.044866	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M-2H+Na"	20.974666
"475492"	723.079966	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M-2H+Na"	20.974666
"849080"	255.009766	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-2H+Na"	20.974666
"1619781"	255.009766	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Na-2H"	20.974666
"95461"	251.016163	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M-H+Cl"	33.962126
"542200"	368.033713	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M-H+Cl"	33.962126
"937900"	133.998613	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-H+Cl"	33.962126
"278283"	503.039602	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+Cl"	34.969402
"662318"	737.074702	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+Cl"	34.969402
"1282376"	269.004502	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Cl"	34.969402
"23839"	505.018806	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M-2H+K"	36.948606
"462308"	739.053906	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M-2H+K"	36.948606
"841202"	270.983706	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-2H+K"	36.948606
"1566886"	270.983706	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+K-2H"	36.948606
"953672"	279.033294	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-H+HCOOH"	44.998194
"370798"	513.068401	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+HCOOH-H"	44.998201
"355411"	527.084051	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+Hac-H"	59.013851
"1501325"	293.048951	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Hac-H"	59.013851
"968870"	301.015251	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-H+NaCOOH"	66.980151
"123974"	269.004502	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+2Cl"	69.938804
"559522"	386.022052	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+2Cl"	69.938804
"1027590"	151.986952	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2Cl"	69.938804
"1245709"	312.953985	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Br"	78.918885
"1315815"	315.009972	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Cl+HCOOH"	80.974872
"1332947"	336.991929	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Cl+NaCOOH"	102.956829
"925100"	347.020686	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M-H+CF3COOH"	112.985586
"1294517"	382.997364	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Cl+CF3COOH"	148.962264
"1375957"	199.022424	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H-2H2O"	-35.012676
"1392366"	217.0324	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H-H2O"	-17.0027
"289866"	469.077476	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+H"	1.007276
"686663"	703.112576	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+H"	1.007276
"1361919"	235.042376	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H"	1.007276
"140764"	235.042376	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+2H"	2.014552
"575462"	352.059926	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+2H"	2.014552
"1050823"	118.024826	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2H"	2.014552
"219923"	157.030676	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+3H"	3.021828
"657920"	235.042376	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+3H"	3.021828
"1175322"	79.018976	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+3H"	3.021828
"437499"	486.104023	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+NH4"	18.033823
"794120"	720.139123	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+NH4"	18.033823
"1692638"	252.068923	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+NH4"	18.033823
"343108"	243.5556495	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+H+NH4"	19.041099
"734436"	360.5731995	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+H+NH4"	19.041099
"1492478"	126.5380995	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H+NH4"	19.041099
"408040"	491.059418	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+Na"	22.989218
"769600"	725.094518	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+Na"	22.989218
"1617491"	257.024318	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Na"	22.989218
"328990"	246.033347	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+H+Na"	23.996494
"722302"	363.050897	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+H+Na"	23.996494
"1476403"	129.015797	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H+Na"	23.996494
"1065556"	86.34629	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2H+Na"	25.00377
"1262867"	267.068586	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+CH3OH+H"	33.033486
"381441"	507.033358	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+K"	38.963158
"744623"	741.068458	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+K"	38.963158
"1546678"	272.998258	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+K"	38.963158
"308227"	254.020317	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+H+K"	39.970434
"701742"	371.037867	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+H+K"	39.970434
"1457749"	137.002767	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H+K"	39.970434
"248178"	510.104026	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+ACN+H"	42.033826
"1219794"	276.068926	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+ACN+H"	42.033826
"1201856"	138.538101	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+ACN+2H"	43.041102
"199099"	513.04136	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+2Na-H"	44.97116
"641575"	747.07646	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+2Na-H"	44.97116
"1145448"	279.00626	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2Na-H"	44.97116
"185091"	257.024318	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+2Na"	45.978436
"625380"	374.041868	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+2Na"	45.978436
"1128521"	140.006768	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2Na"	45.978436
"1411317"	93.673604	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H+2Na"	46.985712
"1434684"	281.047846	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H+HCOOH"	47.012746
"225472"	262.05734	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+3H2O+2H"	56.04448
"1515360"	295.09989	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+IsoProp+H"	61.06479
"418325"	265.011288	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+Na+K"	61.952376
"782605"	382.028838	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+Na+K"	61.952376
"1679308"	147.993738	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Na+K"	61.952376
"265463"	532.085968	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+ACN+Na"	64.015768
"1237073"	298.050868	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+ACN+Na"	64.015768
"1727054"	298.074393	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+NH4+HCOOH"	64.039293
"1185848"	101.000918	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+3Na"	68.967654
"1660115"	303.029788	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Na+HCOOH"	68.994688
"169166"	544.98924	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+2K-H"	76.91904
"605447"	779.02434	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+2K-H"	76.91904
"1088865"	310.95414	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2K-H"	76.91904
"143860"	272.998258	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"2M+2K"	77.926316
"584151"	390.015808	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"3M+2K"	77.926316
"1073036"	155.980708	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2K"	77.926316
"1101874"	312.968692	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2K+H"	78.933592
"1339351"	313.056307	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+DMSO+H"	79.021207
"1008974"	317.095476	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2ACN+H"	83.060376
"1529288"	318.089108	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+IsoProp+Na+H"	84.054008
"996831"	159.051376	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+2ACN+2H"	84.067652
"1593520"	319.003728	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+K+HCOOH"	84.968628
"1415901"	349.035238	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+H+CF3COOH"	115.000138
"1151656"	179.564651	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+3ACN+2H"	125.094202
"1705584"	366.061785	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+NH4+CF3COOH"	132.026685
"1643420"	371.01718	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+Na+CF3COOH"	136.98208
"1584540"	386.99112	"C06742"	"2-Hydroxybiphenyl-2-sulfinate;2-(2-Hydroxyphenyl)benzenesulfinate"	"C12H10O3S"	"234.0351"	"M+K+CF3COOH"	152.95602
"814909"	163.0997	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M"	0
"985161"	144.08131	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-H2O-H"	-19.01839
"78377"	107.725857333333	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M-3H"	-3.021828
"514059"	162.092424	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M-3H"	-3.021828
"884205"	53.3592906666667	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-3H"	-3.021828
"3872"	162.092424	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M-2H"	-2.014552
"444526"	243.642274	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M-2H"	-2.014552
"820145"	80.542574	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-2H"	-2.014552
"83414"	325.192124	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M-H"	-1.007276
"524071"	488.291824	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M-H"	-1.007276
"904057"	162.092424	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-H"	-1.007276
"51872"	342.218671	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M-2H+NH4"	16.019271
"495807"	505.318371	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M-2H+NH4"	16.019271
"871422"	179.118971	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-2H+NH4"	16.019271
"44426"	347.174066	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M-2H+Na"	20.974666
"478883"	510.273766	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M-2H+Na"	20.974666
"851216"	184.074366	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-2H+Na"	20.974666
"1624035"	184.074366	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Na-2H"	20.974666
"103844"	180.080763	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M-H+Cl"	33.962126
"543405"	261.630613	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M-H+Cl"	33.962126
"938012"	98.530913	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-H+Cl"	33.962126
"277666"	361.168802	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+Cl"	34.969402
"672271"	524.268502	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+Cl"	34.969402
"1282490"	198.069102	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Cl"	34.969402
"22496"	363.148006	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M-2H+K"	36.948606
"463518"	526.247706	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M-2H+K"	36.948606
"844602"	200.048306	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-2H+K"	36.948606
"1563717"	200.048306	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+K-2H"	36.948606
"948319"	208.097894	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-H+HCOOH"	44.998194
"368722"	371.197601	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+HCOOH-H"	44.998201
"353698"	385.213251	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+Hac-H"	59.013851
"1507272"	222.113551	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Hac-H"	59.013851
"972262"	230.079851	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-H+NaCOOH"	66.980151
"124937"	198.069102	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+2Cl"	69.938804
"562186"	279.618952	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+2Cl"	69.938804
"1035240"	116.519252	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2Cl"	69.938804
"1255550"	242.018585	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Br"	78.918885
"1315931"	244.074572	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Cl+HCOOH"	80.974872
"1331238"	266.056529	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Cl+NaCOOH"	102.956829
"924119"	276.085286	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M-H+CF3COOH"	112.985586
"1290984"	312.061964	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Cl+CF3COOH"	148.962264
"1370607"	128.087024	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H-2H2O"	-35.012676
"1388106"	146.097	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H-H2O"	-17.0027
"297635"	327.206676	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+H"	1.007276
"687871"	490.306376	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+H"	1.007276
"1365315"	164.106976	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H"	1.007276
"141119"	164.106976	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+2H"	2.014552
"579949"	245.656826	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+2H"	2.014552
"1052743"	82.557126	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2H"	2.014552
"217745"	109.740409333333	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+3H"	3.021828
"655120"	164.106976	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+3H"	3.021828
"1173243"	55.3738426666667	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+3H"	3.021828
"432145"	344.233223	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+NH4"	18.033823
"794233"	507.332923	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+NH4"	18.033823
"1694580"	181.133523	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+NH4"	18.033823
"343954"	172.6202495	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+H+NH4"	19.041099
"737101"	254.1700995	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+H+NH4"	19.041099
"1488367"	91.0703995	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H+NH4"	19.041099
"404860"	349.188618	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+Na"	22.989218
"769503"	512.288318	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+Na"	22.989218
"1615052"	186.088918	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Na"	22.989218
"328369"	175.097947	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+H+Na"	23.996494
"718604"	256.647797	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+H+Na"	23.996494
"1464773"	93.548097	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H+Na"	23.996494
"1058022"	62.7011566666667	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2H+Na"	25.00377
"1259700"	196.133186	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+CH3OH+H"	33.033486
"377460"	365.162558	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+K"	38.963158
"742550"	528.262258	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+K"	38.963158
"1545695"	202.062858	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+K"	38.963158
"302872"	183.084917	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+H+K"	39.970434
"705139"	264.634767	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+H+K"	39.970434
"1458960"	101.535067	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H+K"	39.970434
"245374"	368.233226	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+ACN+H"	42.033826
"1218083"	205.133526	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+ACN+H"	42.033826
"1207070"	103.070401	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+ACN+2H"	43.041102
"199210"	371.17056	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+2Na-H"	44.97116
"636582"	534.27026	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+2Na-H"	44.97116
"1142277"	208.07086	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2Na-H"	44.97116
"185201"	186.088918	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+2Na"	45.978436
"622939"	267.638768	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+2Na"	45.978436
"1119156"	104.539068	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2Na"	45.978436
"1403771"	70.0284706666667	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H+2Na"	46.985712
"1440995"	210.112446	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H+HCOOH"	47.012746
"228503"	191.12194	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+3H2O+2H"	56.04448
"1513282"	224.16449	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+IsoProp+H"	61.06479
"423551"	194.075888	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+Na+K"	61.952376
"781627"	275.625738	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+Na+K"	61.952376
"1673583"	112.526038	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Na+K"	61.952376
"259008"	390.215168	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+ACN+Na"	64.015768
"1234996"	227.115468	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+ACN+Na"	64.015768
"1720605"	227.138993	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+NH4+HCOOH"	64.039293
"1187053"	77.3557846666667	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+3Na"	68.967654
"1655853"	232.094388	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Na+HCOOH"	68.994688
"165997"	403.11844	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+2K-H"	76.91904
"605555"	566.21814	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+2K-H"	76.91904
"1088610"	240.01874	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2K-H"	76.91904
"143605"	202.062858	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"2M+2K"	77.926316
"584262"	283.612708	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"3M+2K"	77.926316
"1070960"	120.513008	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2K"	77.926316
"1102104"	242.033292	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2K+H"	78.933592
"1340553"	242.120907	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+DMSO+H"	79.021207
"1009084"	246.160076	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2ACN+H"	83.060376
"1531587"	247.153708	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+IsoProp+Na+H"	84.054008
"993660"	123.583676	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+2ACN+2H"	84.067652
"1592539"	248.068328	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+K+HCOOH"	84.968628
"1414795"	278.099838	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+H+CF3COOH"	115.000138
"1158330"	144.096951	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+3ACN+2H"	125.094202
"1706787"	295.126385	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+NH4+CF3COOH"	132.026685
"1646815"	300.08178	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+Na+CF3COOH"	136.98208
"1574810"	316.05572	"C06746"	"N-(2-Phenylethyl)-acetamide;N-Acetylphenylethylamine;N-Acetyl-2-phenylethylamine"	"C10H13NO"	"163.0997"	"M+K+CF3COOH"	152.95602
"811739"	174.0151	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M"	0
"985271"	154.99671	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-H2O-H"	-19.01839
"77771"	115.002790666667	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M-3H"	-3.021828
"514169"	173.007824	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M-3H"	-3.021828
"883222"	56.9977573333333	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-3H"	-3.021828
"5076"	173.007824	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M-2H"	-2.014552
"447917"	260.015374	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M-2H"	-2.014552
"822441"	86.000274	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-2H"	-2.014552
"84618"	347.022924	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M-H"	-1.007276
"524181"	521.038024	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M-H"	-1.007276
"900888"	173.007824	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-H"	-1.007276
"54169"	364.049471	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M-2H+NH4"	16.019271
"498105"	538.064571	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M-2H+NH4"	16.019271
"877730"	190.034371	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-2H+NH4"	16.019271
"41256"	369.004866	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M-2H+Na"	20.974666
"478993"	543.019966	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M-2H+Na"	20.974666
"848771"	194.989766	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-2H+Na"	20.974666
"1627425"	194.989766	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Na-2H"	20.974666
"107233"	190.996163	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M-H+Cl"	33.962126
"544607"	278.003713	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M-H+Cl"	33.962126
"938121"	103.988613	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-H+Cl"	33.962126
"276680"	382.999602	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+Cl"	34.969402
"673475"	557.014702	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+Cl"	34.969402
"1284787"	208.984502	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Cl"	34.969402
"27344"	384.978806	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M-2H+K"	36.948606
"464721"	558.993906	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M-2H+K"	36.948606
"845442"	210.963706	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-2H+K"	36.948606
"1564921"	210.963706	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+K-2H"	36.948606
"953896"	219.013294	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-H+HCOOH"	44.998194
"371748"	393.028401	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+HCOOH-H"	44.998201
"353807"	407.044051	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+Hac-H"	59.013851
"1508359"	233.028951	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Hac-H"	59.013851
"972737"	240.995251	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-H+NaCOOH"	66.980151
"125581"	208.984502	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+2Cl"	69.938804
"560836"	295.992052	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+2Cl"	69.938804
"1035958"	121.976952	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2Cl"	69.938804
"1255417"	252.933985	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Br"	78.918885
"1317862"	254.989972	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Cl+HCOOH"	80.974872
"1330985"	276.971929	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Cl+NaCOOH"	102.956829
"924958"	287.000686	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M-H+CF3COOH"	112.985586
"1292556"	322.977364	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Cl+CF3COOH"	148.962264
"1368530"	139.002424	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H-2H2O"	-35.012676
"1388216"	157.0124	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H-H2O"	-17.0027
"297503"	349.037476	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+H"	1.007276
"687982"	523.052576	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+H"	1.007276
"1366872"	175.022376	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H"	1.007276
"139894"	175.022376	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+2H"	2.014552
"580303"	262.029926	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+2H"	2.014552
"1052148"	88.014826	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2H"	2.014552
"216763"	117.017342666667	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+3H"	3.021828
"656323"	175.022376	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+3H"	3.021828
"1171166"	59.0123093333333	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+3H"	3.021828
"431160"	366.064023	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+NH4"	18.033823
"792157"	540.079123	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+NH4"	18.033823
"1696150"	192.048923	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+NH4"	18.033823
"343335"	183.5356495	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+H+NH4"	19.041099
"736484"	270.5431995	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+H+NH4"	19.041099
"1491274"	96.5280995	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H+NH4"	19.041099
"406429"	371.019418	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+Na"	22.989218
"769738"	545.034518	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+Na"	22.989218
"1618074"	197.004318	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Na"	22.989218
"326294"	186.013347	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+H+Na"	23.996494
"719809"	273.020897	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+H+Na"	23.996494
"1467070"	99.005797	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H+Na"	23.996494
"1057039"	66.3396233333333	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2H+Na"	25.00377
"1261997"	207.048586	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+CH3OH+H"	33.033486
"377895"	386.993358	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+K"	38.963158
"742660"	561.008458	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+K"	38.963158
"1549085"	212.978258	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+K"	38.963158
"302982"	194.000317	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+H+K"	39.970434
"698684"	281.007867	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+H+K"	39.970434
"1457975"	106.992767	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H+K"	39.970434
"246577"	390.064026	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+ACN+H"	42.033826
"1218193"	216.048926	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+ACN+H"	42.033826
"1204262"	108.528101	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+ACN+2H"	43.041102
"201143"	393.00136	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+2Na-H"	44.97116
"639970"	567.01646	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+2Na-H"	44.97116
"1141293"	218.98626	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2Na-H"	44.97116
"183488"	197.004318	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+2Na"	45.978436
"624873"	284.011868	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+2Na"	45.978436
"1119994"	109.996768	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2Na"	45.978436
"1405704"	73.6669373333333	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H+2Na"	46.985712
"1437825"	221.027846	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H+HCOOH"	47.012746
"226426"	202.03734	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+3H2O+2H"	56.04448
"1515580"	235.07989	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+IsoProp+H"	61.06479
"423623"	204.991288	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+Na+K"	61.952376
"784412"	291.998838	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+Na+K"	61.952376
"1674786"	117.983738	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Na+K"	61.952376
"262399"	412.045968	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+ACN+Na"	64.015768
"1237293"	238.030868	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+ACN+Na"	64.015768
"1725089"	238.054393	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+NH4+HCOOH"	64.039293
"1190444"	80.9942513333333	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+3Na"	68.967654
"1657059"	243.009788	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Na+HCOOH"	68.994688
"165014"	424.94924	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+2K-H"	76.91904
"604574"	598.96434	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+2K-H"	76.91904
"1088721"	250.93414	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2K-H"	76.91904
"143718"	212.978258	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"2M+2K"	77.926316
"583279"	299.985808	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"3M+2K"	77.926316
"1074348"	125.970708	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2K"	77.926316
"1106465"	252.948692	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2K+H"	78.933592
"1340663"	253.036307	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+DMSO+H"	79.021207
"1011380"	257.075476	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2ACN+H"	83.060376
"1528415"	258.069108	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+IsoProp+Na+H"	84.054008
"994862"	129.041376	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+2ACN+2H"	84.067652
"1589366"	258.983728	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+K+HCOOH"	84.968628
"1416486"	289.015238	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+H+CF3COOH"	115.000138
"1156252"	149.554651	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+3ACN+2H"	125.094202
"1706897"	306.041785	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+NH4+CF3COOH"	132.026685
"1646925"	310.99718	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+Na+CF3COOH"	136.98208
"1574920"	326.97112	"C06747"	"Phenylmethanesulfonyl fluoride;Benzenemethanesulfonyl fluoride;PMSF"	"C7H7FO2S"	"174.0151"	"M+K+CF3COOH"	152.95602
"811849"	59.0735	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M"	0
"985381"	40.05511	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-H2O-H"	-19.01839
"75814"	38.3750573333333	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M-3H"	-3.021828
"513186"	58.066224	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M-3H"	-3.021828
"883332"	18.6838906666667	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-3H"	-3.021828
"5186"	58.066224	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M-2H"	-2.014552
"445840"	87.602974	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M-2H"	-2.014552
"821458"	28.529474	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-2H"	-2.014552
"82542"	117.139724	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M-H"	-1.007276
"525384"	176.213224	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M-H"	-1.007276
"898811"	58.066224	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-H"	-1.007276
"54279"	134.166271	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M-2H+NH4"	16.019271
"495664"	193.239771	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M-2H+NH4"	16.019271
"872737"	75.092771	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-2H+NH4"	16.019271
"45012"	139.121666	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M-2H+Na"	20.974666
"482383"	198.195166	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M-2H+Na"	20.974666
"848881"	80.048166	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-2H+Na"	20.974666
"1625349"	80.048166	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Na-2H"	20.974666
"105157"	76.054563	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M-H+Cl"	33.962126
"547636"	105.591313	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M-H+Cl"	33.962126
"934954"	46.517813	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-H+Cl"	33.962126
"279708"	153.116402	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+Cl"	34.969402
"669213"	212.189902	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+Cl"	34.969402
"1284898"	94.042902	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Cl"	34.969402
"26361"	155.095606	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M-2H+K"	36.948606
"465921"	214.169106	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M-2H+K"	36.948606
"846281"	96.022106	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-2H+K"	36.948606
"1570134"	96.022106	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+K-2H"	36.948606
"956924"	104.071694	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-H+HCOOH"	44.998194
"373315"	163.145201	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+HCOOH-H"	44.998201
"355010"	177.160851	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+Hac-H"	59.013851
"1508190"	118.087351	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Hac-H"	59.013851
"973942"	126.053651	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-H+NaCOOH"	66.980151
"125644"	94.042902	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+2Cl"	69.938804
"560946"	123.579652	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+2Cl"	69.938804
"1035947"	64.506152	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2Cl"	69.938804
"1255161"	137.992385	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Br"	78.918885
"1318334"	140.048372	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Cl+HCOOH"	80.974872
"1331458"	162.030329	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Cl+NaCOOH"	102.956829
"924703"	172.059086	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M-H+CF3COOH"	112.985586
"1290111"	208.035764	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Cl+CF3COOH"	148.962264
"1370096"	24.060824	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H-2H2O"	-35.012676
"1389419"	42.0708	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H-H2O"	-17.0027
"297492"	119.154276	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+H"	1.007276
"691011"	178.227776	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+H"	1.007276
"1366351"	60.080776	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H"	1.007276
"140612"	60.080776	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+2H"	2.014552
"580048"	89.617526	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+2H"	2.014552
"1051891"	30.544026	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2H"	2.014552
"218451"	40.3896093333333	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+3H"	3.021828
"658255"	60.080776	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+3H"	3.021828
"1170186"	20.6984426666667	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+3H"	3.021828
"433459"	136.180823	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+NH4"	18.033823
"798829"	195.254323	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+NH4"	18.033823
"1694437"	77.107323	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+NH4"	18.033823
"343080"	68.5940495	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+H+NH4"	19.041099
"735501"	98.1307995	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+H+NH4"	19.041099
"1490412"	39.0572995	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H+NH4"	19.041099
"406175"	141.136218	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+Na"	22.989218
"769482"	200.209718	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+Na"	22.989218
"1616001"	82.062718	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Na"	22.989218
"324217"	71.071747	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+H+Na"	23.996494
"714453"	100.608497	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+H+Na"	23.996494
"1463896"	41.534997	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H+Na"	23.996494
"1057149"	28.0257566666667	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2H+Na"	25.00377
"1262107"	92.106986	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+CH3OH+H"	33.033486
"378249"	157.110158	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+K"	38.963158
"746052"	216.183658	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+K"	38.963158
"1545916"	98.036658	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+K"	38.963158
"307467"	79.058717	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+H+K"	39.970434
"696608"	108.595467	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+H+K"	39.970434
"1459181"	49.521967	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H+K"	39.970434
"247782"	160.180826	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+ACN+H"	42.033826
"1221584"	101.107326	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+ACN+H"	42.033826
"1204372"	51.057301	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+ACN+2H"	43.041102
"200889"	163.11816	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+2Na-H"	44.97116
"638989"	222.19166	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+2Na-H"	44.97116
"1141402"	104.04466	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2Na-H"	44.97116
"183598"	82.062718	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+2Na"	45.978436
"625347"	111.599468	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+2Na"	45.978436
"1120833"	52.525968	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2Na"	45.978436
"1403628"	35.3530706666667	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H+2Na"	46.985712
"1437935"	106.086246	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H+HCOOH"	47.012746
"226536"	87.09574	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+3H2O+2H"	56.04448
"1515690"	120.13829	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+IsoProp+H"	61.06479
"423413"	90.049688	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+Na+K"	61.952376
"784399"	119.586438	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+Na+K"	61.952376
"1673803"	60.512938	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Na+K"	61.952376
"263603"	182.162768	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+ACN+Na"	64.015768
"1237403"	123.089268	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+ACN+Na"	64.015768
"1726293"	123.112793	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+NH4+HCOOH"	64.039293
"1191283"	42.6803846666667	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+3Na"	68.967654
"1656075"	128.068188	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Na+HCOOH"	68.994688
"162937"	195.06604	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+2K-H"	76.91904
"604683"	254.13954	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+2K-H"	76.91904
"1088467"	135.99254	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2K-H"	76.91904
"144921"	98.036658	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"2M+2K"	77.926316
"583388"	127.573408	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"3M+2K"	77.926316
"1074460"	68.499908	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2K"	77.926316
"1106575"	138.007092	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2K+H"	78.933592
"1341866"	138.094707	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+DMSO+H"	79.021207
"1011490"	142.133876	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2ACN+H"	83.060376
"1531803"	143.127508	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+IsoProp+Na+H"	84.054008
"996065"	71.570576	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+2ACN+2H"	84.067652
"1589111"	144.042128	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+K+HCOOH"	84.968628
"1417325"	174.073638	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+H+CF3COOH"	115.000138
"1153081"	92.083851	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+3ACN+2H"	125.094202
"1707007"	191.100185	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+NH4+CF3COOH"	132.026685
"1647035"	196.05558	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+Na+CF3COOH"	136.98208
"1575030"	212.02952	"C06748"	"Isopropylamine;2-Aminopropane;Monoisopropylamine;2-Propanamine"	"C3H9N"	"59.0735"	"M+K+CF3COOH"	152.95602
"816854"	891.1676	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M"	0
"989138"	872.14921	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H2O-H"	-19.01839
"77384"	593.104457333333	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-3H"	-3.021828
"516578"	890.160324	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-3H"	-3.021828
"891099"	296.048590666667	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-3H"	-3.021828
"7486"	890.160324	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H"	-2.014552
"447045"	1335.744124	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H"	-2.014552
"823755"	444.576524	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H"	-2.014552
"83746"	1781.327924	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-H"	-1.007276
"529141"	2672.495524	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-H"	-1.007276
"906577"	890.160324	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H"	-1.007276
"58765"	1798.354471	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+NH4"	16.019271
"498325"	2689.522071	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+NH4"	16.019271
"876127"	907.186871	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+NH4"	16.019271
"45609"	1803.309866	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+Na"	20.974666
"482493"	2694.477466	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+Na"	20.974666
"850453"	912.142266	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+Na"	20.974666
"1627647"	912.142266	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na-2H"	20.974666
"104176"	908.148663	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-H+Cl"	33.962126
"548112"	1353.732463	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-H+Cl"	33.962126
"932877"	462.564863	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+Cl"	33.962126
"278725"	1817.304602	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Cl"	34.969402
"667137"	2708.472202	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Cl"	34.969402
"1281727"	926.137002	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl"	34.969402
"24284"	1819.283806	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+K"	36.948606
"462751"	2710.451406	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+K"	36.948606
"839465"	928.116206	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+K"	36.948606
"1566232"	928.116206	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K-2H"	36.948606
"950834"	936.165794	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+HCOOH"	44.998194
"372331"	1827.333401	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+HCOOH-H"	44.998201
"354027"	1841.349051	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Hac-H"	59.013851
"1504321"	950.181451	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Hac-H"	59.013851
"970768"	958.147751	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+NaCOOH"	66.980151
"122593"	926.137002	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Cl"	69.938804
"559962"	1371.720802	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Cl"	69.938804
"1032774"	480.553202	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Cl"	69.938804
"1253448"	970.086485	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Br"	78.918885
"1311882"	972.142472	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+HCOOH"	80.974872
"1327193"	994.124429	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+NaCOOH"	102.956829
"917158"	1004.153186	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+CF3COOH"	112.985586
"1289127"	1040.129864	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+CF3COOH"	148.962264
"1368749"	856.154924	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H-2H2O"	-35.012676
"1392810"	874.1649	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H-H2O"	-17.0027
"294685"	1783.342476	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H"	1.007276
"690388"	2674.510076	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H"	1.007276
"1364552"	892.174876	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H"	1.007276
"140606"	892.174876	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2H"	2.014552
"580280"	1337.758676	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2H"	2.014552
"1052248"	446.591076	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2H"	2.014552
"219050"	595.119009333333	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+3H"	3.021828
"657636"	892.174876	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+3H"	3.021828
"1172482"	298.063142666667	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3H"	3.021828
"432476"	1800.369023	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+NH4"	18.033823
"791648"	2691.536623	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+NH4"	18.033823
"1694182"	909.201423	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4"	18.033823
"341365"	900.6881495	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+NH4"	19.041099
"736219"	1346.2719495	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+NH4"	19.041099
"1491133"	455.1043495	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+NH4"	19.041099
"405193"	1805.324418	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Na"	22.989218
"768865"	2696.492018	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Na"	22.989218
"1616962"	914.156818	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na"	22.989218
"328092"	903.165847	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+Na"	23.996494
"718934"	1348.749647	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+Na"	23.996494
"1462915"	457.582047	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+Na"	23.996494
"1056165"	305.390456666667	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2H+Na"	25.00377
"1257965"	924.201086	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+CH3OH+H"	33.033486
"377632"	1821.298358	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+K"	38.963158
"742882"	2712.465958	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+K"	38.963158
"1546026"	930.130758	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K"	38.963158
"307577"	911.152817	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+K"	39.970434
"697812"	1356.736617	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+K"	39.970434
"1452728"	465.569017	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+K"	39.970434
"243517"	1824.369026	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+ACN+H"	42.033826
"1215132"	933.201426	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+H"	42.033826
"1202295"	467.104351	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+2H"	43.041102
"198083"	1827.30636	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Na-H"	44.97116
"638007"	2718.47396	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Na-H"	44.97116
"1137868"	936.13876	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Na-H"	44.97116
"181523"	914.156818	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Na"	45.978436
"625822"	1359.740618	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Na"	45.978436
"1120578"	468.573018	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Na"	45.978436
"1403374"	312.717770666667	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+2Na"	46.985712
"1438045"	938.180346	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+HCOOH"	47.012746
"226646"	919.18984	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+3H2O+2H"	56.04448
"1522728"	952.23239	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+IsoProp+H"	61.06479
"418771"	922.143788	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Na+K"	61.952376
"782686"	1367.727588	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Na+K"	61.952376
"1678287"	476.559988	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+K"	61.952376
"261525"	1846.350968	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+ACN+Na"	64.015768
"1237516"	955.183368	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+Na"	64.015768
"1724220"	955.206893	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4+HCOOH"	64.039293
"1189207"	320.045084666667	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3Na"	68.967654
"1657279"	960.162288	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+HCOOH"	68.994688
"166327"	1859.25424	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2K-H"	76.91904
"607346"	2750.42184	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2K-H"	76.91904
"1088215"	968.08664	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K-H"	76.91904
"150500"	930.130758	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2K"	77.926316
"585687"	1375.714558	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2K"	77.926316
"1076756"	484.546958	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K"	77.926316
"1105594"	970.101192	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K+H"	78.933592
"1343071"	970.188807	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+DMSO+H"	79.021207
"1011600"	974.227976	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2ACN+H"	83.060376
"1529729"	975.221608	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+IsoProp+Na+H"	84.054008
"995081"	487.617626	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2ACN+2H"	84.067652
"1589586"	976.136228	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K+HCOOH"	84.968628
"1417432"	1006.167738	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+CF3COOH"	115.000138
"1149180"	508.130901	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3ACN+2H"	125.094202
"1706024"	1023.194285	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4+CF3COOH"	132.026685
"1643863"	1028.14968	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+CF3COOH"	136.98208
"1575140"	1044.12362	"C06749"	"6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;6-Hydroxycyclohex-1-enecarbonyl-CoA;6-Hydroxycyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K+CF3COOH"	152.95602
"805508"	97.969	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M"	0
"987793"	78.95061	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-H2O-H"	-19.01839
"70567"	64.3053906666667	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M-3H"	-3.021828
"513406"	96.961724	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M-3H"	-3.021828
"889021"	31.6490573333333	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-3H"	-3.021828
"7596"	96.961724	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M-2H"	-2.014552
"451531"	145.946224	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M-2H"	-2.014552
"829333"	47.977224	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-2H"	-2.014552
"87138"	194.930724	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M-H"	-1.007276
"524511"	292.899724	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M-H"	-1.007276
"902312"	96.961724	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-H"	-1.007276
"53404"	211.957271	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M-2H+NH4"	16.019271
"495154"	309.926271	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M-2H+NH4"	16.019271
"872957"	113.988271	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-2H+NH4"	16.019271
"44505"	216.912666	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M-2H+Na"	20.974666
"481513"	314.881666	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M-2H+Na"	20.974666
"863815"	118.943666	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-2H+Na"	20.974666
"1630672"	118.943666	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Na-2H"	20.974666
"104285"	114.950063	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M-H+Cl"	33.962126
"546033"	163.934563	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M-H+Cl"	33.962126
"935174"	65.965563	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-H+Cl"	33.962126
"282369"	230.907402	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+Cl"	34.969402
"667246"	328.876402	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+Cl"	34.969402
"1281837"	132.938402	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Cl"	34.969402
"29862"	232.886606	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M-2H+K"	36.948606
"461771"	330.855606	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M-2H+K"	36.948606
"838481"	134.917606	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-2H+K"	36.948606
"1564157"	134.917606	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+K-2H"	36.948606
"947667"	142.967194	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-H+HCOOH"	44.998194
"366975"	240.936201	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+HCOOH-H"	44.998201
"358149"	254.951851	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+Hac-H"	59.013851
"1502972"	156.982851	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Hac-H"	59.013851
"971244"	164.949151	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-H+NaCOOH"	66.980151
"123067"	132.938402	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+2Cl"	69.938804
"560076"	181.922902	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+2Cl"	69.938804
"1032154"	83.953902	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2Cl"	69.938804
"1248453"	176.887885	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Br"	78.918885
"1314182"	178.943872	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Cl+HCOOH"	80.974872
"1327303"	200.925829	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Cl+NaCOOH"	102.956829
"913985"	210.954586	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M-H+CF3COOH"	112.985586
"1291791"	246.931264	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Cl+CF3COOH"	148.962264
"1373237"	62.956324	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H-2H2O"	-35.012676
"1383927"	80.9663	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H-H2O"	-17.0027
"287140"	196.945276	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+H"	1.007276
"689040"	294.914276	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+H"	1.007276
"1365752"	98.976276	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H"	1.007276
"141310"	98.976276	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+2H"	2.014552
"581252"	147.960776	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+2H"	2.014552
"1052484"	49.991776	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2H"	2.014552
"218188"	66.3199426666667	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+3H"	3.021828
"657749"	98.976276	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+3H"	3.021828
"1176727"	33.6636093333333	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+3H"	3.021828
"432586"	213.971823	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+NH4"	18.033823
"799059"	311.940823	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+NH4"	18.033823
"1695384"	116.002823	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+NH4"	18.033823
"342568"	107.4895495	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+H+NH4"	19.041099
"737422"	156.4740495	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+H+NH4"	19.041099
"1492097"	58.5050495	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H+NH4"	19.041099
"408221"	218.927218	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+Na"	22.989218
"765209"	316.896218	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+Na"	22.989218
"1612213"	120.958218	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Na"	22.989218
"324434"	109.967247	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+H+Na"	23.996494
"712485"	158.951747	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+H+Na"	23.996494
"1462421"	60.982747	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H+Na"	23.996494
"1056276"	40.9909233333333	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2H+Na"	25.00377
"1257304"	131.002486	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+CH3OH+H"	33.033486
"377457"	234.901158	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+K"	38.963158
"740076"	332.870158	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+K"	38.963158
"1540073"	136.932158	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+K"	38.963158
"303315"	117.954217	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+H+K"	39.970434
"694642"	166.938717	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+H+K"	39.970434
"1453930"	68.969717	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H+K"	39.970434
"245811"	237.971826	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+ACN+H"	42.033826
"1218521"	140.002826	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+ACN+H"	42.033826
"1205684"	70.505051	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+ACN+2H"	43.041102
"196368"	240.90916	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+2Na-H"	44.97116
"635929"	338.87816	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+2Na-H"	44.97116
"1140528"	142.94016	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2Na-H"	44.97116
"185766"	120.958218	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+2Na"	45.978436
"619010"	169.942718	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+2Na"	45.978436
"1122516"	71.973718	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2Na"	45.978436
"1413823"	48.3182373333333	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H+2Na"	46.985712
"1440343"	144.981746	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H+HCOOH"	47.012746
"227850"	125.99124	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+3H2O+2H"	56.04448
"1523821"	159.03379	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+IsoProp+H"	61.06479
"416699"	128.945188	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+Na+K"	61.952376
"780973"	177.929688	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+Na+K"	61.952376
"1677304"	79.960688	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Na+K"	61.952376
"262729"	259.953768	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+ACN+Na"	64.015768
"1238357"	161.984768	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+ACN+Na"	64.015768
"1725055"	162.008293	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+NH4+HCOOH"	64.039293
"1184944"	55.6455513333333	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+3Na"	68.967654
"1657388"	166.963688	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Na+HCOOH"	68.994688
"164247"	272.85704	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+2K-H"	76.91904
"603810"	370.82604	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+2K-H"	76.91904
"1089418"	174.88804	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2K-H"	76.91904
"151703"	136.932158	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"2M+2K"	77.926316
"583608"	185.916658	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"3M+2K"	77.926316
"1074682"	87.947658	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2K"	77.926316
"1108982"	176.902592	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2K+H"	78.933592
"1344273"	176.990207	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+DMSO+H"	79.021207
"1015720"	181.029376	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2ACN+H"	83.060376
"1528747"	182.023008	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+IsoProp+Na+H"	84.054008
"995191"	91.018326	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+2ACN+2H"	84.067652
"1592976"	182.937628	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+K+HCOOH"	84.968628
"1417542"	212.969138	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+H+CF3COOH"	115.000138
"1150020"	111.531601	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+3ACN+2H"	125.094202
"1705041"	229.995685	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+NH4+CF3COOH"	132.026685
"1643974"	234.95108	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+Na+CF3COOH"	136.98208
"1575251"	250.92502	"C06752"	"12-Dichloroethane;Ethylene dichloride;Glycol dichloride;Dutch liquid"	"C2H4Cl2"	"97.969"	"M+K+CF3COOH"	152.95602
"805618"	80.0029	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M"	0
"987539"	60.98451	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-H2O-H"	-19.01839
"73957"	52.3279906666667	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M-3H"	-3.021828
"513516"	78.995624	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M-3H"	-3.021828
"891318"	25.6603573333333	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-3H"	-3.021828
"10987"	78.995624	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M-2H"	-2.014552
"450913"	118.997074	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M-2H"	-2.014552
"828715"	38.994174	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-2H"	-2.014552
"89436"	158.998524	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M-H"	-1.007276
"530819"	239.001424	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M-H"	-1.007276
"906797"	78.995624	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-H"	-1.007276
"54610"	176.025071	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M-2H+NH4"	16.019271
"498183"	256.027971	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M-2H+NH4"	16.019271
"873433"	96.022171	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-2H+NH4"	16.019271
"42792"	180.980466	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M-2H+Na"	20.974666
"482352"	260.983366	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M-2H+Na"	20.974666
"862342"	100.977566	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-2H+Na"	20.974666
"1632970"	100.977566	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Na-2H"	20.974666
"103303"	96.983963	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M-H+Cl"	33.962126
"545779"	136.985413	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M-H+Cl"	33.962126
"938565"	56.982513	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-H+Cl"	33.962126
"282440"	194.975202	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+Cl"	34.969402
"674408"	274.978102	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+Cl"	34.969402
"1287784"	114.972302	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Cl"	34.969402
"28879"	196.954406	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M-2H+K"	36.948606
"459694"	276.957306	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M-2H+K"	36.948606
"837498"	116.951506	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-2H+K"	36.948606
"1565361"	116.951506	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+K-2H"	36.948606
"946684"	125.001094	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-H+HCOOH"	44.998194
"369273"	205.004001	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+HCOOH-H"	44.998201
"356437"	219.019651	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+Hac-H"	59.013851
"1501988"	139.016751	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Hac-H"	59.013851
"969530"	146.983051	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-H+NaCOOH"	66.980151
"121353"	114.972302	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+2Cl"	69.938804
"560186"	154.973752	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+2Cl"	69.938804
"1032264"	74.970852	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2Cl"	69.938804
"1251844"	158.921785	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Br"	78.918885
"1313199"	160.977772	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Cl+HCOOH"	80.974872
"1327413"	182.959729	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Cl+NaCOOH"	102.956829
"911582"	192.988486	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M-H+CF3COOH"	112.985586
"1288613"	228.965164	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Cl+CF3COOH"	148.962264
"1367878"	44.990224	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H-2H2O"	-35.012676
"1385003"	63.0002	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H-H2O"	-17.0027
"284331"	161.013076	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+H"	1.007276
"677484"	241.015976	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+H"	1.007276
"1357113"	81.010176	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H"	1.007276
"134377"	81.010176	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+2H"	2.014552
"579406"	121.011626	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+2H"	2.014552
"1052748"	41.008726	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2H"	2.014552
"217201"	54.3425426666667	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+3H"	3.021828
"653484"	81.010176	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+3H"	3.021828
"1171609"	27.6749093333333	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+3H"	3.021828
"431599"	178.039623	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+NH4"	18.033823
"799896"	258.042523	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+NH4"	18.033823
"1696224"	98.036723	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+NH4"	18.033823
"341585"	89.5234495	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+H+NH4"	19.041099
"738260"	129.5248995	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+H+NH4"	19.041099
"1491837"	49.5219995	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H+NH4"	19.041099
"407600"	182.995018	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+Na"	22.989218
"767505"	262.997918	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+Na"	22.989218
"1613416"	102.992118	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Na"	22.989218
"325637"	92.001147	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+H+Na"	23.996494
"712599"	132.002597	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+H+Na"	23.996494
"1464233"	51.999697	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H+Na"	23.996494
"1056386"	35.0022233333333	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2H+Na"	25.00377
"1258064"	113.036386	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+CH3OH+H"	33.033486
"377729"	198.968958	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+K"	38.963158
"739820"	278.971858	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+K"	38.963158
"1541145"	118.966058	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+K"	38.963158
"300508"	99.988117	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+H+K"	39.970434
"693293"	139.989567	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+H+K"	39.970434
"1451853"	59.986667	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H+K"	39.970434
"243736"	202.039626	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+ACN+H"	42.033826
"1217538"	122.036726	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+ACN+H"	42.033826
"1204703"	61.522001	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+ACN+2H"	43.041102
"192102"	204.97696	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+2Na-H"	44.97116
"637129"	284.97986	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+2Na-H"	44.97116
"1140636"	124.97406	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2Na-H"	44.97116
"185021"	102.992118	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+2Na"	45.978436
"615837"	142.993568	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+2Na"	45.978436
"1118975"	62.990668	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2Na"	45.978436
"1411618"	42.3295373333333	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H+2Na"	46.985712
"1438266"	127.015646	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H+HCOOH"	47.012746
"225774"	108.02514	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+3H2O+2H"	56.04448
"1523649"	141.06769	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+IsoProp+H"	61.06479
"416809"	110.979088	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+Na+K"	61.952376
"777074"	150.980538	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+Na+K"	61.952376
"1677415"	70.977638	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Na+K"	61.952376
"263932"	224.021568	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+ACN+Na"	64.015768
"1236640"	144.018668	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+ACN+Na"	64.015768
"1724801"	144.042193	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+NH4+HCOOH"	64.039293
"1189790"	49.6568513333333	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+3Na"	68.967654
"1658591"	148.997588	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Na+HCOOH"	68.994688
"164357"	236.92484	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+2K-H"	76.91904
"606106"	316.92774	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+2K-H"	76.91904
"1089528"	156.92194	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2K-H"	76.91904
"150719"	118.966058	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"2M+2K"	77.926316
"582625"	158.967508	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"3M+2K"	77.926316
"1074791"	78.964608	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2K"	77.926316
"1107998"	158.936492	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2K+H"	78.933592
"1344384"	159.024107	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+DMSO+H"	79.021207
"1010726"	163.063276	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2ACN+H"	83.060376
"1527764"	164.056908	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+IsoProp+Na+H"	84.054008
"992022"	82.035276	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+2ACN+2H"	84.067652
"1590900"	164.971528	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+K+HCOOH"	84.968628
"1416558"	195.003038	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+H+CF3COOH"	115.000138
"1150130"	102.548551	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+3ACN+2H"	125.094202
"1707337"	212.029585	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+NH4+CF3COOH"	132.026685
"1638615"	216.98498	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+Na+CF3COOH"	136.98208
"1575361"	232.95892	"C06753"	"2-Chloroethanol;Ethylene chlorohydrin;Glycol chlorohydrin"	"C2H5ClO"	"80.0029"	"M+K+CF3COOH"	152.95602
"805728"	77.9872	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M"	0
"987649"	58.96881	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-H2O-H"	-19.01839
"76254"	50.9841906666667	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M-3H"	-3.021828
"513626"	76.979924	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M-3H"	-3.021828
"892522"	24.9884573333333	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-3H"	-3.021828
"11097"	76.979924	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M-2H"	-2.014552
"451751"	115.973524	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M-2H"	-2.014552
"829189"	37.986324	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-2H"	-2.014552
"91370"	154.967124	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M-H"	-1.007276
"529107"	232.954324	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M-H"	-1.007276
"908001"	76.979924	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-H"	-1.007276
"53627"	171.993671	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M-2H+NH4"	16.019271
"498293"	249.980871	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M-2H+NH4"	16.019271
"874271"	94.006471	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-2H+NH4"	16.019271
"43995"	176.949066	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M-2H+Na"	20.974666
"483191"	254.936266	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M-2H+Na"	20.974666
"862088"	98.961866	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-2H+Na"	20.974666
"1631987"	98.961866	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Na-2H"	20.974666
"103411"	94.968263	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M-H+Cl"	33.962126
"541878"	133.961863	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M-H+Cl"	33.962126
"933206"	55.974663	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-H+Cl"	33.962126
"279419"	190.943802	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+Cl"	34.969402
"675371"	268.931002	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+Cl"	34.969402
"1286433"	112.956602	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Cl"	34.969402
"28989"	192.923006	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M-2H+K"	36.948606
"457980"	270.910206	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M-2H+K"	36.948606
"839795"	114.935806	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-2H+K"	36.948606
"1564378"	114.935806	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+K-2H"	36.948606
"945701"	122.985394	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-H+HCOOH"	44.998194
"369383"	200.972601	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+HCOOH-H"	44.998201
"357640"	214.988251	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+Hac-H"	59.013851
"1503191"	137.001051	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Hac-H"	59.013851
"969640"	144.967351	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-H+NaCOOH"	66.980151
"121827"	112.956602	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+2Cl"	69.938804
"557016"	151.950202	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+2Cl"	69.938804
"1032374"	73.963002	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2Cl"	69.938804
"1251590"	156.906085	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Br"	78.918885
"1312215"	158.962072	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Cl+HCOOH"	80.974872
"1327523"	180.944029	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Cl+NaCOOH"	102.956829
"912381"	190.972786	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M-H+CF3COOH"	112.985586
"1290185"	226.949464	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Cl+CF3COOH"	148.962264
"1368351"	42.974524	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H-2H2O"	-35.012676
"1384381"	60.9845	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H-H2O"	-17.0027
"284072"	156.981676	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+H"	1.007276
"676618"	234.968876	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+H"	1.007276
"1352966"	78.994476	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H"	1.007276
"129016"	78.994476	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+2H"	2.014552
"574045"	117.988076	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+2H"	2.014552
"1045032"	40.000876	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2H"	2.014552
"214028"	52.9987426666667	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+3H"	3.021828
"652498"	78.994476	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+3H"	3.021828
"1171717"	27.0030093333333	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+3H"	3.021828
"429887"	174.008223	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+NH4"	18.033823
"798181"	251.995423	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+NH4"	18.033823
"1692324"	96.021023	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+NH4"	18.033823
"340602"	87.5077495	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+H+NH4"	19.041099
"735211"	126.5013495	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+H+NH4"	19.041099
"1487938"	48.5141495	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H+NH4"	19.041099
"402242"	178.963618	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+Na"	22.989218
"763241"	256.950818	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+Na"	22.989218
"1608059"	100.976418	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Na"	22.989218
"322467"	89.985447	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+H+Na"	23.996494
"712702"	128.979047	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+H+Na"	23.996494
"1463250"	50.991847	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H+Na"	23.996494
"1053817"	34.3303233333333	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2H+Na"	25.00377
"1259263"	111.020686	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+CH3OH+H"	33.033486
"378083"	194.937558	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+K"	38.963158
"740048"	272.924758	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+K"	38.963158
"1540887"	116.950358	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+K"	38.963158
"300253"	97.972417	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+H+K"	39.970434
"694861"	136.966017	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+H+K"	39.970434
"1449775"	58.978817	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H+K"	39.970434
"242750"	198.008226	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+ACN+H"	42.033826
"1217647"	120.021026	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+ACN+H"	42.033826
"1203716"	60.514151	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+ACN+2H"	43.041102
"190388"	200.94556	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+2Na-H"	44.97116
"635053"	278.93276	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+2Na-H"	44.97116
"1139654"	122.95836	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2Na-H"	44.97116
"186227"	100.976418	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+2Na"	45.978436
"614487"	139.970018	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+2Na"	45.978436
"1117749"	61.982818	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2Na"	45.978436
"1403708"	41.6576373333333	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H+2Na"	46.985712
"1434365"	124.999946	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H+HCOOH"	47.012746
"224790"	106.00944	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+3H2O+2H"	56.04448
"1523843"	139.05199	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+IsoProp+H"	61.06479
"414731"	108.963388	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+Na+K"	61.952376
"776820"	147.956988	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+Na+K"	61.952376
"1675338"	69.969788	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Na+K"	61.952376
"261856"	219.990168	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+ACN+Na"	64.015768
"1240889"	142.002968	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+ACN+Na"	64.015768
"1725274"	142.026493	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+NH4+HCOOH"	64.039293
"1189536"	48.9849513333333	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+3Na"	68.967654
"1657608"	146.981888	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Na+HCOOH"	68.994688
"162644"	232.89344	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+2K-H"	76.91904
"605123"	310.88064	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+2K-H"	76.91904
"1087451"	154.90624	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2K-H"	76.91904
"147549"	116.950358	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"2M+2K"	77.926316
"582367"	155.943958	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"3M+2K"	77.926316
"1074901"	77.956758	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2K"	77.926316
"1109201"	156.920792	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2K+H"	78.933592
"1344493"	157.008407	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+DMSO+H"	79.021207
"1009744"	161.047576	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2ACN+H"	83.060376
"1527874"	162.041208	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+IsoProp+Na+H"	84.054008
"992132"	81.027426	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+2ACN+2H"	84.067652
"1587602"	162.955828	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+K+HCOOH"	84.968628
"1414598"	192.987338	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+H+CF3COOH"	115.000138
"1150240"	101.540701	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+3ACN+2H"	125.094202
"1705261"	210.013885	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+NH4+CF3COOH"	132.026685
"1638725"	214.96928	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+Na+CF3COOH"	136.98208
"1575470"	230.94322	"C06754"	"Chloroacetaldehyde;2-Chloroethanal"	"C2H3ClO"	"77.9872"	"M+K+CF3COOH"	152.95602
"805838"	93.9822	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M"	0
"988123"	74.96381	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-H2O-H"	-19.01839
"77457"	61.647524	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M-3H"	-3.021828
"513736"	92.974924	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M-3H"	-3.021828
"894455"	30.320124	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-3H"	-3.021828
"12300"	92.974924	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M-2H"	-2.014552
"451861"	139.966024	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M-2H"	-2.014552
"828569"	45.983824	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-2H"	-2.014552
"91844"	186.957124	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M-H"	-1.007276
"529946"	280.939324	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M-H"	-1.007276
"907747"	92.974924	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-H"	-1.007276
"54830"	203.983671	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M-2H+NH4"	16.019271
"499132"	297.965871	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M-2H+NH4"	16.019271
"872194"	110.001471	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-2H+NH4"	16.019271
"45928"	208.939066	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M-2H+Na"	20.974666
"481478"	302.921266	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M-2H+Na"	20.974666
"863291"	114.956866	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-2H+Na"	20.974666
"1633884"	114.956866	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Na-2H"	20.974666
"106437"	110.963263	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M-H+Cl"	33.962126
"540894"	157.954363	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M-H+Cl"	33.962126
"937692"	63.972163	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-H+Cl"	33.962126
"277343"	222.933802	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+Cl"	34.969402
"674869"	316.916002	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+Cl"	34.969402
"1287274"	128.951602	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Cl"	34.969402
"29099"	224.913006	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M-2H+K"	36.948606
"464290"	318.895206	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M-2H+K"	36.948606
"841000"	130.930806	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-2H+K"	36.948606
"1567768"	130.930806	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+K-2H"	36.948606
"950184"	138.980394	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-H+HCOOH"	44.998194
"370586"	232.962601	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+HCOOH-H"	44.998201
"357750"	246.978251	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+Hac-H"	59.013851
"1502207"	152.996051	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Hac-H"	59.013851
"972669"	160.962351	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-H+NaCOOH"	66.980151
"121937"	128.951602	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+2Cl"	69.938804
"561866"	175.942702	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+2Cl"	69.938804
"1032851"	81.960502	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2Cl"	69.938804
"1253158"	172.901085	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Br"	78.918885
"1312323"	174.957072	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Cl+HCOOH"	80.974872
"1330913"	196.939029	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Cl+NaCOOH"	102.956829
"912859"	206.967786	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M-H+CF3COOH"	112.985586
"1290297"	242.944464	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Cl+CF3COOH"	148.962264
"1373566"	58.969524	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H-2H2O"	-35.012676
"1384500"	76.9795	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H-H2O"	-17.0027
"286374"	188.971676	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+H"	1.007276
"676971"	282.953876	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+H"	1.007276
"1354048"	94.989476	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H"	1.007276
"128032"	94.989476	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+2H"	2.014552
"574155"	141.980576	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+2H"	2.014552
"1045142"	47.998376	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2H"	2.014552
"214138"	63.662076	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+3H"	3.021828
"658076"	94.989476	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+3H"	3.021828
"1174015"	32.334676	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+3H"	3.021828
"435830"	205.998223	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+NH4"	18.033823
"799992"	299.980423	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+NH4"	18.033823
"1696079"	112.016023	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+NH4"	18.033823
"342899"	103.5027495	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+H+NH4"	19.041099
"736780"	150.4938495	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+H+NH4"	19.041099
"1489141"	56.5116495	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H+NH4"	19.041099
"403446"	210.953618	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+Na"	22.989218
"764445"	304.935818	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+Na"	22.989218
"1611449"	116.971418	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Na"	22.989218
"324763"	105.980447	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+H+Na"	23.996494
"714999"	152.971547	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+H+Na"	23.996494
"1462508"	58.989347	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H+Na"	23.996494
"1055510"	39.66199	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2H+Na"	25.00377
"1261563"	127.015686	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+CH3OH+H"	33.033486
"380140"	226.927558	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+K"	38.963158
"745507"	320.909758	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+K"	38.963158
"1543189"	132.945358	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+K"	38.963158
"302186"	113.967417	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+H+K"	39.970434
"696429"	160.958517	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+H+K"	39.970434
"1449885"	66.976317	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H+K"	39.970434
"246140"	229.998226	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+ACN+H"	42.033826
"1221037"	136.016026	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+ACN+H"	42.033826
"1207839"	68.511651	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+ACN+2H"	43.041102
"192322"	232.93556	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+2Na-H"	44.97116
"638443"	326.91776	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+2Na-H"	44.97116
"1143411"	138.95336	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2Na-H"	44.97116
"184514"	116.971418	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+2Na"	45.978436
"618604"	163.962518	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+2Na"	45.978436
"1117740"	69.980318	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2Na"	45.978436
"1404911"	46.989304	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H+2Na"	46.985712
"1438485"	140.994946	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H+HCOOH"	47.012746
"227087"	122.00444	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+3H2O+2H"	56.04448
"1524117"	155.04699	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+IsoProp+H"	61.06479
"424130"	124.958388	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+Na+K"	61.952376
"777294"	171.949488	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+Na+K"	61.952376
"1677635"	77.967288	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Na+K"	61.952376
"264153"	251.980168	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+ACN+Na"	64.015768
"1241313"	157.997968	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+ACN+Na"	64.015768
"1725750"	158.021493	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+NH4+HCOOH"	64.039293
"1187823"	54.316618	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+3Na"	68.967654
"1658809"	162.976888	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Na+HCOOH"	68.994688
"163483"	264.88344	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+2K-H"	76.91904
"606325"	358.86564	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+2K-H"	76.91904
"1086467"	170.90124	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2K-H"	76.91904
"145470"	132.945358	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"2M+2K"	77.926316
"585032"	179.936458	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"3M+2K"	77.926316
"1075009"	85.954258	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2K"	77.926316
"1107124"	172.915792	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2K+H"	78.933592
"1341323"	173.003407	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+DMSO+H"	79.021207
"1015320"	177.042576	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2ACN+H"	83.060376
"1527983"	178.036208	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+IsoProp+Na+H"	84.054008
"993333"	89.024926	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+2ACN+2H"	84.067652
"1587589"	178.950828	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+K+HCOOH"	84.968628
"1414952"	208.982338	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+H+CF3COOH"	115.000138
"1151443"	109.538201	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+3ACN+2H"	125.094202
"1706464"	226.008885	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+NH4+CF3COOH"	132.026685
"1639928"	230.96428	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+Na+CF3COOH"	136.98208
"1575580"	246.93822	"C06755"	"Chloroacetic acid;Chloroethanoic acid"	"C2H3ClO2"	"93.9822"	"M+K+CF3COOH"	152.95602
"805948"	106.0783	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M"	0
"981673"	87.05991	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-H2O-H"	-19.01839
"76111"	69.7115906666667	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M-3H"	-3.021828
"512752"	105.071024	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M-3H"	-3.021828
"893108"	34.3521573333333	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-3H"	-3.021828
"12776"	105.071024	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H"	-2.014552
"449784"	158.110174	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H"	-2.014552
"826493"	52.031874	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-2H"	-2.014552
"83206"	211.149324	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M-H"	-1.007276
"522766"	317.227624	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M-H"	-1.007276
"897287"	105.071024	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-H"	-1.007276
"57127"	228.175871	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H+NH4"	16.019271
"496326"	334.254171	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H+NH4"	16.019271
"872306"	122.097571	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-2H+NH4"	16.019271
"40935"	233.131266	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H+Na"	20.974666
"477578"	339.209566	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H+Na"	20.974666
"860484"	127.052966	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-2H+Na"	20.974666
"1624915"	127.052966	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Na-2H"	20.974666
"98165"	123.059363	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M-H+Cl"	33.962126
"535538"	176.098513	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M-H+Cl"	33.962126
"938894"	70.020213	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-H+Cl"	33.962126
"276359"	247.126002	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+Cl"	34.969402
"673155"	353.204302	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+Cl"	34.969402
"1282278"	141.047702	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl"	34.969402
"25929"	249.105206	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H+K"	36.948606
"462213"	355.183506	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H+K"	36.948606
"843298"	143.026906	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-2H+K"	36.948606
"1565692"	143.026906	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+K-2H"	36.948606
"951388"	151.076494	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-H+HCOOH"	44.998194
"370696"	257.154801	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+HCOOH-H"	44.998201
"356767"	271.170451	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+Hac-H"	59.013851
"1502317"	165.092151	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Hac-H"	59.013851
"969860"	173.058451	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-H+NaCOOH"	66.980151
"120590"	141.047702	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+2Cl"	69.938804
"561976"	194.086852	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+2Cl"	69.938804
"1030773"	88.008552	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2Cl"	69.938804
"1253632"	184.997185	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Br"	78.918885
"1312433"	187.053172	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl+HCOOH"	80.974872
"1327743"	209.035129	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl+NaCOOH"	102.956829
"912604"	219.063886	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M-H+CF3COOH"	112.985586
"1292230"	255.040564	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl+CF3COOH"	148.962264
"1370397"	71.065624	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H-2H2O"	-35.012676
"1383881"	89.0756	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H-H2O"	-17.0027
"283244"	213.163876	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+H"	1.007276
"675985"	319.242176	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+H"	1.007276
"1352336"	107.085576	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H"	1.007276
"127049"	107.085576	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+2H"	2.014552
"574265"	160.124726	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+2H"	2.014552
"1045253"	54.046426	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2H"	2.014552
"213155"	71.7261426666667	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+3H"	3.021828
"654906"	107.085576	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+3H"	3.021828
"1175219"	36.3667093333333	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+3H"	3.021828
"435211"	230.190423	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+NH4"	18.033823
"799494"	336.268723	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+NH4"	18.033823
"1695095"	124.112123	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+NH4"	18.033823
"342645"	115.5988495	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+H+NH4"	19.041099
"736890"	168.6379995	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+H+NH4"	19.041099
"1489980"	62.5596995	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H+NH4"	19.041099
"405741"	235.145818	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+Na"	22.989218
"764554"	341.224118	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+Na"	22.989218
"1611559"	129.067518	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Na"	22.989218
"322686"	118.076547	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+H+Na"	23.996494
"714016"	171.115697	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+H+Na"	23.996494
"1461681"	65.037397	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H+Na"	23.996494
"1053797"	43.6940233333333	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2H+Na"	25.00377
"1258758"	139.111786	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+CH3OH+H"	33.033486
"377450"	251.119758	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+K"	38.963158
"740150"	357.198058	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+K"	38.963158
"1541110"	145.041458	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+K"	38.963158
"298729"	126.063517	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+H+K"	39.970434
"695446"	179.102667	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+H+K"	39.970434
"1451090"	73.024367	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H+K"	39.970434
"246252"	254.190426	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+ACN+H"	42.033826
"1221877"	148.112126	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+ACN+H"	42.033826
"1207585"	74.559701	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+ACN+2H"	43.041102
"192432"	257.12776	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+2Na-H"	44.97116
"636368"	363.20606	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+2Na-H"	44.97116
"1142061"	151.04946	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2Na-H"	44.97116
"182072"	129.067518	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+2Na"	45.978436
"613612"	182.106668	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+2Na"	45.978436
"1118580"	76.028368	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2Na"	45.978436
"1407574"	51.0213373333333	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H+2Na"	46.985712
"1436408"	153.091046	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H+HCOOH"	47.012746
"229384"	134.10054	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+3H2O+2H"	56.04448
"1524124"	167.14309	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+IsoProp+H"	61.06479
"424231"	137.054488	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+Na+K"	61.952376
"774853"	190.093638	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+Na+K"	61.952376
"1673369"	84.015338	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Na+K"	61.952376
"263168"	276.172368	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+ACN+Na"	64.015768
"1241268"	170.094068	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+ACN+Na"	64.015768
"1722578"	170.117593	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+NH4+HCOOH"	64.039293
"1186841"	58.3486513333333	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+3Na"	68.967654
"1657827"	175.072988	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Na+HCOOH"	68.994688
"163593"	289.07564	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+2K-H"	76.91904
"605345"	395.15394	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+2K-H"	76.91904
"1087670"	182.99734	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2K-H"	76.91904
"145581"	145.041458	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"2M+2K"	77.926316
"588420"	198.080608	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"3M+2K"	77.926316
"1075120"	92.002308	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2K"	77.926316
"1108328"	185.011892	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2K+H"	78.933592
"1341433"	185.099507	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+DMSO+H"	79.021207
"1015430"	189.138676	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2ACN+H"	83.060376
"1528091"	190.132308	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+IsoProp+Na+H"	84.054008
"992351"	95.072976	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+2ACN+2H"	84.067652
"1590132"	191.046928	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+K+HCOOH"	84.968628
"1414941"	221.078438	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+H+CF3COOH"	115.000138
"1152646"	115.586251	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+3ACN+2H"	125.094202
"1698919"	238.104985	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+NH4+CF3COOH"	132.026685
"1638945"	243.06038	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+Na+CF3COOH"	136.98208
"1575690"	259.03432	"C06756"	"p-Xylene;14-Dimethylbenzene;p-Methyltoluene"	"C8H10"	"106.0783"	"M+K+CF3COOH"	152.95602
"813713"	122.0732	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M"	0
"989074"	103.05481	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"77685"	80.3748573333333	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"517487"	121.065924	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"894685"	39.6837906666667	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"13251"	121.065924	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"449894"	182.102524	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"826603"	60.029324	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"90970"	243.139124	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"531504"	365.212324	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"903958"	121.065924	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"55051"	260.165671	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"496436"	382.238871	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"872416"	138.092471	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"40315"	265.121066	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"477688"	387.194266	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"857678"	143.047866	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1631587"	143.047866	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"99367"	139.054263	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"542209"	200.090863	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"939006"	78.017663	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"276468"	279.115802	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"672780"	401.189002	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1284574"	157.042602	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"28227"	281.095006	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"461230"	403.168206	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"845595"	159.021806	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1562521"	159.021806	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"955872"	167.071394	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"372993"	289.144601	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"359064"	303.160251	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1504614"	181.087051	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"972525"	189.053351	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"121064"	157.042602	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"563546"	218.079202	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1033434"	96.006002	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1255929"	200.992085	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1314731"	203.048072	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1327853"	225.030029	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"914903"	235.058786	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1292341"	271.035464	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1371601"	87.060524	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1384723"	105.0705	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"284409"	245.153676	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"678286"	367.226876	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1355363"	123.080476	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"134814"	123.080476	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"573281"	184.117076	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1043176"	62.043876	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"212166"	82.3894093333333	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"655015"	123.080476	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1176058"	41.6983426666667	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"435321"	262.180223	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"799604"	384.253423	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1696299"	140.107023	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"343119"	131.5937495	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"736635"	192.6303495	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1491546"	70.5571495	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"404757"	267.135618	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"764663"	389.208818	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1610575"	145.062418	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"320610"	134.071447	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"715220"	195.108047	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1461877"	73.034847	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1052904"	49.0256566666667	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1257775"	155.106686	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"379267"	283.109558	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"740263"	405.182758	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1543409"	161.036358	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"304960"	142.058417	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"696652"	203.095017	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1453388"	81.021817	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"238709"	286.180226	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1219073"	164.107026	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1204049"	82.557151	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"193642"	289.11756	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"631378"	411.19076	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1136708"	167.04436	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"185465"	145.062418	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"614453"	206.099018	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1119783"	84.025818	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1403673"	56.3529706666667	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1438706"	169.085946	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"229494"	150.09544	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1524128"	183.13799	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"422355"	153.049388	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"783715"	214.085988	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1676759"	92.012788	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"261460"	308.162168	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1238543"	186.088968	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1723784"	186.112493	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1188410"	63.6802846666667	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1657573"	191.067888	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"161518"	321.06544	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"606913"	443.13864	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1089969"	198.99224	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"145693"	161.036358	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"586344"	222.072958	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1070855"	99.999758	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1101027"	201.006792	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1339356"	201.094407	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1008979"	205.133576	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1528201"	206.127208	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"991368"	103.070426	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1588178"	207.041828	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1415051"	237.073338	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1151663"	123.583701	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1699029"	254.099885	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1639055"	259.05528	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1575800"	275.02922	"C06757"	"4-Methylbenzyl alcohol;alpha-Hydroxy-p-xylene;4-Tolylcarbinol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"806168"	120.0575	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M"	0
"981893"	101.03911	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"77790"	79.0310573333333	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"517347"	119.050224	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"894664"	39.0118906666667	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"12631"	119.050224	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"448911"	179.078974	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"826713"	59.021474	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"86706"	239.107724	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"525173"	359.165224	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"899694"	119.050224	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"48722"	256.134271	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"493629"	376.191771	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"874712"	136.076771	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"42612"	261.089666	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"483265"	381.147166	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"857788"	141.032166	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1632790"	141.032166	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"99842"	137.038563	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"542319"	197.067313	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"940209"	77.009813	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"277672"	275.084402	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"673011"	395.141902	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1284684"	155.026902	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"28338"	277.063606	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"461340"	397.121106	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"845341"	157.006106	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1564817"	157.006106	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"957075"	165.055694	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"374196"	285.113201	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"359174"	299.128851	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1504724"	179.071351	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"973001"	187.037651	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"121174"	155.026902	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"564143"	215.055652	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1035978"	94.998152	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1256039"	198.976385	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1317029"	201.032372	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1330152"	223.014329	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"920116"	233.043086	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1295731"	269.019764	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1372802"	85.044824	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1387018"	103.0548	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"285976"	241.122276	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"679489"	361.179776	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1355837"	121.064776	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H"	1.007276
"133830"	121.064776	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"573391"	181.093526	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1044379"	61.036026	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"213370"	81.0456093333333	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"651845"	121.064776	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1174345"	41.0264426666667	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"433245"	258.148823	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"796435"	378.206323	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1691671"	138.091323	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"341044"	129.5780495	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"733465"	189.6067995	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1489470"	69.5492995	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"404869"	263.104218	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"764772"	383.161718	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1606310"	143.046718	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"322908"	132.055747	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"717518"	192.084497	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1463688"	72.026997	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1055843"	48.3537566666667	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1258978"	153.090986	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"380105"	279.078158	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"741101"	399.135658	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1541697"	159.020658	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+K"	38.963158
"305434"	140.042717	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"700770"	200.071467	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1453496"	80.013967	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"246109"	282.148826	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1221004"	162.091326	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1207439"	81.549301	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"192659"	285.08616	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"633311"	405.14366	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1136818"	165.02866	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"182295"	143.046718	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"616021"	203.075468	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1122079"	83.017968	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1403783"	55.6810706666667	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1436629"	167.070246	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"228509"	148.07974	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1520952"	181.12229	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"423194"	151.033688	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"782002"	211.062438	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1672498"	91.004938	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"260478"	304.130768	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1236832"	184.073268	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1720979"	184.096793	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1187429"	63.0083846666667	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1655861"	189.052188	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"160536"	317.03404	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"602284"	437.09154	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1090082"	196.97654	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"147624"	159.020658	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"584267"	219.049408	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1075343"	98.991908	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1103082"	198.991092	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1342748"	199.078707	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1012372"	203.117876	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1525147"	204.111508	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"991478"	102.062576	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1588532"	205.026128	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1414179"	235.057638	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1151775"	122.575851	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1701326"	252.084185	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1641354"	257.03958	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1573723"	273.01352	"C06758"	"p-Tolualdehyde;p-Methylbenzaldehyde;4-Methylbenzaldehyde;4-Toluylaldehyde;p-Formyltoluene"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"806278"	156.0423	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M"	0
"984189"	137.02391	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"77534"	103.020924	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"518310"	155.035024	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"893073"	51.006824	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"13106"	155.035024	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"451208"	233.056174	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"826823"	77.013874	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"86816"	311.077324	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"525283"	467.119624	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"901990"	155.035024	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"49804"	328.103871	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"494832"	484.146171	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"875551"	172.061571	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"42722"	333.059266	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"483375"	489.101566	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"857898"	177.016966	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1633508"	177.016966	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"101775"	173.023363	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"544616"	251.044513	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"939955"	95.002213	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"276688"	347.054002	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"673850"	503.096302	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1287225"	191.011702	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"31125"	349.033206	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"462543"	505.075506	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"845814"	192.990906	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1567113"	192.990906	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"954998"	201.040494	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"375035"	357.082801	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"360378"	371.098451	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1505927"	215.056151	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"972378"	223.022451	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"121283"	191.011702	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"561938"	269.032852	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1032924"	112.990552	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1255056"	234.961185	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1310578"	237.017172	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1332084"	258.999129	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"916946"	269.027886	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1298028"	305.004564	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1374005"	121.029624	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1384212"	139.0396	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"286815"	313.091876	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"676319"	469.134176	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1355947"	157.049576	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"131753"	157.049576	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"574594"	235.070726	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1046674"	79.028426	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"215302"	105.035476	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"651955"	157.049576	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1171174"	53.021376	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"432259"	330.118423	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"796177"	486.160723	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1693967"	174.076123	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"342246"	165.5628495	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"734667"	243.5839995	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1489581"	87.5416995	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"404979"	335.073818	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"761602"	491.116118	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1606420"	179.031518	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"317550"	168.040547	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"719818"	246.061697	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1465984"	90.019397	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1057045"	60.34869	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1260909"	189.075786	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"382766"	351.047758	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"745949"	507.090058	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1544358"	195.005458	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"306636"	176.027517	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"705620"	254.048667	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1459072"	98.006367	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"249501"	354.118426	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1224275"	198.076126	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1207547"	99.541701	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"196046"	357.05576	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"636701"	513.09806	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1138022"	201.01346	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"185685"	179.031518	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"619048"	257.052668	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1123283"	101.010368	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1405715"	67.676004	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1437832"	203.055046	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"230805"	184.06454	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1521790"	217.10709	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"418566"	187.018488	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"784298"	265.039638	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1672973"	108.997338	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"260221"	376.100368	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1236942"	220.058068	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1721817"	220.081593	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1189358"	75.003318	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1655972"	225.036988	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"163927"	389.00364	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"600207"	545.04594	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1092375"	232.96134	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"145913"	195.005458	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"587657"	273.026608	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1077274"	116.984308	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1106472"	234.975892	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1342858"	235.063507	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1015762"	239.102676	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1527326"	240.096308	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"990614"	120.054976	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1588275"	241.010928	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1415758"	271.042438	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1154072"	140.568251	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1700343"	288.068985	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1638182"	293.02438	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1573833"	308.99832	"C06760"	"2-Hydroxy-5-methyl-ciscis-muconic semialdehyde;(2E4Z)-2-Hydroxy-5-methyl-6-oxohexa-24-dienoate"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"806388"	128.0473	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M"	0
"986486"	109.02891	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-H2O-H"	-19.01839
"73635"	84.3575906666667	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M-3H"	-3.021828
"516476"	127.040024	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M-3H"	-3.021828
"893183"	41.6751573333333	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-3H"	-3.021828
"12487"	127.040024	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M-2H"	-2.014552
"449131"	191.063674	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M-2H"	-2.014552
"824745"	63.016374	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-2H"	-2.014552
"86925"	255.087324	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M-H"	-1.007276
"525393"	383.134624	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M-H"	-1.007276
"899913"	127.040024	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-H"	-1.007276
"50278"	272.113871	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M-2H+NH4"	16.019271
"494942"	400.161171	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M-2H+NH4"	16.019271
"872744"	144.066571	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-2H+NH4"	16.019271
"39550"	277.069266	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M-2H+Na"	20.974666
"478016"	405.116566	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M-2H+Na"	20.974666
"858007"	149.021966	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-2H+Na"	20.974666
"1626447"	149.021966	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Na-2H"	20.974666
"101885"	145.028363	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M-H+Cl"	33.962126
"544726"	209.052013	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M-H+Cl"	33.962126
"941887"	81.004713	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-H+Cl"	33.962126
"278621"	291.064002	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+Cl"	34.969402
"673960"	419.111302	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+Cl"	34.969402
"1287335"	163.016702	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Cl"	34.969402
"31293"	293.043206	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M-2H+K"	36.948606
"463747"	421.090506	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M-2H+K"	36.948606
"845924"	164.995906	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-2H+K"	36.948606
"1566131"	164.995906	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+K-2H"	36.948606
"954015"	173.045494	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-H+HCOOH"	44.998194
"375509"	301.092801	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+HCOOH-H"	44.998201
"359393"	315.108451	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+Hac-H"	59.013851
"1506037"	187.061151	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Hac-H"	59.013851
"971394"	195.027451	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-H+NaCOOH"	66.980151
"119206"	163.016702	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+2Cl"	69.938804
"565088"	227.040352	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+2Cl"	69.938804
"1035951"	98.993052	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2Cl"	69.938804
"1255530"	206.966185	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Br"	78.918885
"1316155"	209.022172	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Cl+HCOOH"	80.974872
"1332194"	231.004129	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Cl+NaCOOH"	102.956829
"919244"	241.032886	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M-H+CF3COOH"	112.985586
"1300326"	277.009564	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Cl+CF3COOH"	148.962264
"1374115"	93.034624	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H-2H2O"	-35.012676
"1384322"	111.0446	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H-H2O"	-17.0027
"285832"	257.101876	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+H"	1.007276
"677158"	385.149176	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+H"	1.007276
"1361160"	129.054576	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H"	1.007276
"134050"	129.054576	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+2H"	2.014552
"573611"	193.078226	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+2H"	2.014552
"1046784"	65.030926	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2H"	2.014552
"213590"	86.3721426666667	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+3H"	3.021828
"652065"	129.054576	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+3H"	3.021828
"1170190"	43.6897093333333	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+3H"	3.021828
"430912"	274.128423	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+NH4"	18.033823
"797378"	402.175723	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+NH4"	18.033823
"1690793"	146.081123	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+NH4"	18.033823
"339075"	137.5678495	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+H+NH4"	19.041099
"733684"	201.5914995	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+H+NH4"	19.041099
"1488597"	73.5441995	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H+NH4"	19.041099
"401806"	279.083818	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+Na"	22.989218
"759525"	407.131118	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+Na"	22.989218
"1604342"	151.036518	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Na"	22.989218
"317660"	140.045547	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+H+Na"	23.996494
"714462"	204.069197	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+H+Na"	23.996494
"1462571"	76.021897	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H+Na"	23.996494
"1054603"	51.0170233333333	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2H+Na"	25.00377
"1260290"	161.080786	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+CH3OH+H"	33.033486
"381783"	295.057758	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+K"	38.963158
"743871"	423.105058	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+K"	38.963158
"1542280"	167.010458	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+K"	38.963158
"303466"	148.032517	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+H+K"	39.970434
"702083"	212.056167	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+H+K"	39.970434
"1458089"	84.008867	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H+K"	39.970434
"246692"	298.128426	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+ACN+H"	42.033826
"1219401"	170.081126	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+ACN+H"	42.033826
"1205471"	85.544201	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+ACN+2H"	43.041102
"200529"	301.06576	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+2Na-H"	44.97116
"640090"	429.11306	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+2Na-H"	44.97116
"1143597"	173.01846	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2Na-H"	44.97116
"179235"	151.036518	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+2Na"	45.978436
"616242"	215.060168	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+2Na"	45.978436
"1122300"	87.012868	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2Na"	45.978436
"1404733"	58.3443373333333	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H+2Na"	46.985712
"1439036"	175.060046	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H+HCOOH"	47.012746
"230916"	156.06954	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+3H2O+2H"	56.04448
"1523235"	189.11209	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+IsoProp+H"	61.06479
"421955"	159.023488	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+Na+K"	61.952376
"783675"	223.047138	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+Na+K"	61.952376
"1671626"	94.999838	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Na+K"	61.952376
"259238"	320.110368	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+ACN+Na"	64.015768
"1234134"	192.063068	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+ACN+Na"	64.015768
"1722657"	192.086593	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+NH4+HCOOH"	64.039293
"1188376"	65.6716513333333	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+3Na"	68.967654
"1659363"	197.041988	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Na+HCOOH"	68.994688
"167318"	333.01364	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+2K-H"	76.91904
"602504"	461.06094	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+2K-H"	76.91904
"1090299"	204.96634	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2K-H"	76.91904
"146023"	167.010458	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"2M+2K"	77.926316
"584487"	231.034108	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"3M+2K"	77.926316
"1075560"	102.986808	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2K"	77.926316
"1106586"	206.980892	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2K+H"	78.933592
"1344061"	207.068507	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+DMSO+H"	79.021207
"1015872"	211.107676	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2ACN+H"	83.060376
"1526343"	212.101308	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+IsoProp+Na+H"	84.054008
"991698"	106.057476	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+2ACN+2H"	84.067652
"1588387"	213.015928	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+K+HCOOH"	84.968628
"1422794"	243.047438	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+H+CF3COOH"	115.000138
"1151996"	126.570751	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+3ACN+2H"	125.094202
"1699360"	260.073985	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+NH4+CF3COOH"	132.026685
"1635013"	265.02938	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+Na+CF3COOH"	136.98208
"1572850"	281.00332	"C06761"	"(4E)-2-Oxohexenoic acid;2-Oxohex-trans-4-enoate"	"C6H8O3"	"128.0473"	"M+K+CF3COOH"	152.95602
"806498"	146.0579	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M"	0
"986596"	127.03951	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"77025"	96.3646573333333	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"514400"	145.050624	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"893294"	47.6786906666667	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"11868"	145.050624	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"447054"	218.079574	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"823762"	72.021674	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"80838"	291.108524	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"524408"	437.166424	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"898925"	145.050624	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"49656"	308.135071	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"489582"	454.192971	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"868475"	162.077171	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"34192"	313.090466	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"473750"	459.148366	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"858117"	167.032566	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1625464"	167.032566	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"101995"	163.038963	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"540461"	236.067913	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"940783"	90.010013	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"279095"	327.085202	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"670425"	473.143102	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1286717"	181.027302	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"28667"	329.064406	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"464950"	475.122306	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"848223"	183.006506	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1568792"	183.006506	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"955218"	191.056094	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"374526"	337.114001	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"360801"	351.129651	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1505783"	205.071751	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"973327"	213.038051	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"121502"	181.027302	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"565522"	254.056252	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1034603"	107.998352	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1256005"	224.976785	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1315901"	227.032772	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1334491"	249.014729	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"918260"	259.043486	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1298249"	295.020164	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1374225"	111.045224	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1384068"	129.0552	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"285942"	293.123076	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"677269"	439.180976	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1361270"	147.065176	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"131973"	147.065176	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"573720"	220.094126	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1046894"	74.036226	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"210420"	98.3792093333333	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"655453"	147.065176	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1168475"	49.6932426666667	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"433574"	310.149623	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"796758"	456.207523	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1690903"	164.091723	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"341369"	155.5784495	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"732702"	228.6073995	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1488707"	82.5494995	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"403009"	315.105018	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"757449"	461.162918	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1605546"	169.047118	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"316677"	158.056147	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"714572"	231.085097	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1465114"	85.027197	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1054712"	57.0205566666667	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1259307"	179.091386	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"380070"	331.078958	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"745075"	477.136858	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1543848"	185.021058	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"302482"	166.043117	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"704379"	239.072067	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1458199"	93.014167	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"246801"	334.149626	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1219510"	188.091726	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1204487"	94.549501	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"200639"	337.08696	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"642387"	483.14486	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1143707"	191.02906	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"187734"	169.047118	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"621091"	242.076068	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1122410"	96.018168	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1407030"	64.3478706666667	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1441333"	193.070646	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"233212"	174.08014	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1521282"	207.12269	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"417687"	177.034088	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"780505"	250.063038	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1669914"	104.005138	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"258256"	356.131568	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1235703"	210.073668	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1721674"	210.097193	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1188486"	71.6751846666667	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1660569"	215.052588	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"167431"	369.03484	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"600427"	515.09274	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1090410"	222.97694	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"147228"	185.021058	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"584597"	258.050008	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1073483"	111.992108	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1107790"	224.991492	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1343078"	225.079107	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1017076"	229.118276	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1526453"	230.111908	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"992901"	115.062776	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1587767"	231.026528	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1419624"	261.058038	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1151013"	135.576051	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1699470"	278.084585	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1635487"	283.03998	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1572960"	299.01392	"C06762"	"4-Hydroxy-2-oxohexanoic acid;4-Hydroxy-2-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"806608"	179.0794	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M"	0
"985613"	160.06101	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"73857"	118.378990666667	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"516331"	178.072124	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"891218"	58.6858573333333	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"9791"	178.072124	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"447164"	267.611824	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"823872"	88.532424	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"80584"	357.151524	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"522331"	536.230924	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"899037"	178.072124	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"48308"	374.178071	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"488719"	553.257471	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"865549"	195.098671	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"34301"	379.133466	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"472280"	558.212866	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"854947"	200.054066	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1625574"	200.054066	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"102105"	196.060463	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"539842"	285.600163	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"941379"	106.520763	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"277019"	393.128202	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"670535"	572.207602	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1285126"	214.048802	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"26588"	395.107406	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"463962"	574.186806	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"842857"	216.028006	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1568538"	216.028006	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"954235"	224.077594	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"375001"	403.157001	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"358519"	417.172651	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1502612"	238.093251	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"973071"	246.059551	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"119426"	214.048802	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"565392"	303.588502	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1036661"	124.509102	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1255022"	257.998285	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1316375"	260.054272	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1332778"	282.036229	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"919463"	292.064986	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1296172"	328.041664	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1373242"	144.066724	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1385272"	162.0767	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"289332"	359.166076	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"679565"	538.245476	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1361380"	180.086676	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"132082"	180.086676	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"572736"	269.626376	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1049191"	90.546976	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"213810"	120.393542666667	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"655563"	180.086676	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1169678"	60.7004093333333	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"435869"	376.192623	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"794682"	555.272023	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1692106"	197.113223	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"341479"	188.5999495	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"733906"	278.1396495	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1487724"	99.0602495	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"403119"	381.148018	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"761933"	560.227418	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1608935"	202.068618	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"318974"	191.077647	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"713589"	280.617347	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1464131"	101.537947	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1053365"	68.0277233333333	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1257471"	212.112886	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"379817"	397.121958	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"743000"	576.201358	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1542136"	218.042558	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"304417"	199.064617	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"697930"	288.604317	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1455028"	109.524917	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"246911"	400.192626	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1219620"	221.113226	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1206784"	111.060251	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"199656"	403.12996	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"641407"	582.20936	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1143817"	224.05056	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"187844"	202.068618	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"628133"	291.608318	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1121791"	112.528918	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1410420"	75.3550373333333	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1441443"	226.092146	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"230771"	207.10164	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1522242"	240.14419	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"419984"	210.055588	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"777699"	299.595288	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1669660"	120.515888	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"260553"	422.174568	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1237636"	243.095168	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1722149"	243.118693	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1190783"	82.6823513333333	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1659586"	248.074088	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"167541"	435.07784	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"604915"	614.15724	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1095988"	255.99844	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"148432"	218.042558	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"587989"	307.582258	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1077972"	128.502858	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1110086"	258.012992	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1345378"	258.100607	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1014999"	262.139776	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1525833"	263.133408	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"991918"	131.573526	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1587876"	264.048028	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1416088"	294.079538	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1148935"	152.086801	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1697393"	311.106085	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1635231"	316.06148	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1573070"	332.03542	"C06763"	"Nojirimycin;5-Amino-5-deoxy-D-glucopyranose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"806718"	792.5024	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M"	0
"984629"	773.48401	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-H2O-H"	-19.01839
"75059"	527.327657333333	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M-3H"	-3.021828
"515712"	791.495124	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M-3H"	-3.021828
"890234"	263.160190666667	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-3H"	-3.021828
"7714"	791.495124	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M-2H"	-2.014552
"446181"	1187.746324	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M-2H"	-2.014552
"821793"	395.243924	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-2H"	-2.014552
"82879"	1583.997524	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M-H"	-1.007276
"520254"	2376.499924	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M-H"	-1.007276
"901332"	791.495124	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-H"	-1.007276
"51332"	1601.024071	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M-2H+NH4"	16.019271
"488342"	2393.526471	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M-2H+NH4"	16.019271
"866630"	808.521671	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-2H+NH4"	16.019271
"33558"	1605.979466	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M-2H+Na"	20.974666
"475064"	2398.481866	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M-2H+Na"	20.974666
"858337"	813.477066	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-2H+Na"	20.974666
"1625684"	813.477066	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Na-2H"	20.974666
"103309"	809.483463	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M-H+Cl"	33.962126
"545055"	1205.734663	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M-H+Cl"	33.962126
"941732"	413.232263	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-H+Cl"	33.962126
"280168"	1619.974202	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+Cl"	34.969402
"673562"	2412.476602	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+Cl"	34.969402
"1287301"	827.471802	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Cl"	34.969402
"25604"	1621.953406	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M-2H+K"	36.948606
"464073"	2414.455806	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M-2H+K"	36.948606
"842966"	829.451006	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-2H+K"	36.948606
"1568648"	829.451006	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+K-2H"	36.948606
"953252"	837.500594	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-H+HCOOH"	44.998194
"372196"	1630.003001	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+HCOOH-H"	44.998201
"357901"	1644.018651	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+Hac-H"	59.013851
"1503086"	851.516251	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Hac-H"	59.013851
"973506"	859.482551	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-H+NaCOOH"	66.980151
"123181"	827.471802	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+2Cl"	69.938804
"565255"	1223.723002	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+2Cl"	69.938804
"1036977"	431.220602	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2Cl"	69.938804
"1254036"	871.421285	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Br"	78.918885
"1316485"	873.477272	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Cl+HCOOH"	80.974872
"1329607"	895.459229	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Cl+NaCOOH"	102.956829
"920667"	905.487986	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M-H+CF3COOH"	112.985586
"1296282"	941.464664	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Cl+CF3COOH"	148.962264
"1370071"	757.489724	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H-2H2O"	-35.012676
"1384409"	775.4997	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H-H2O"	-17.0027
"291629"	1586.012076	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+H"	1.007276
"678582"	2378.514476	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+H"	1.007276
"1362584"	793.509676	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H"	1.007276
"133286"	793.509676	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+2H"	2.014552
"571754"	1189.760876	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+2H"	2.014552
"1044926"	397.258476	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2H"	2.014552
"209548"	529.342209333333	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+3H"	3.021828
"645827"	793.509676	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+3H"	3.021828
"1168695"	265.174742666667	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+3H"	3.021828
"434887"	1603.038623	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+NH4"	18.033823
"794791"	2395.541023	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+NH4"	18.033823
"1693309"	810.536223	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+NH4"	18.033823
"342682"	802.0229495	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+H+NH4"	19.041099
"732924"	1198.2741495	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+H+NH4"	19.041099
"1488926"	405.7717495	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H+NH4"	19.041099
"403229"	1607.994018	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+Na"	22.989218
"766419"	2400.496418	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+Na"	22.989218
"1610139"	815.491618	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Na"	22.989218
"321271"	804.500647	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+H+Na"	23.996494
"713699"	1200.751847	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+H+Na"	23.996494
"1467522"	408.249447	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H+Na"	23.996494
"1052987"	272.502056666667	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2H+Na"	25.00377
"1258434"	825.535886	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+CH3OH+H"	33.033486
"381022"	1623.967958	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+K"	38.963158
"744204"	2416.470358	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+K"	38.963158
"1542975"	831.465558	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+K"	38.963158
"306714"	812.487617	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+H+K"	39.970434
"694761"	1208.738817	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+H+K"	39.970434
"1455140"	416.236417	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H+K"	39.970434
"246657"	1627.038626	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+ACN+H"	42.033826
"1223741"	834.536226	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+ACN+H"	42.033826
"1208723"	417.771751	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+ACN+2H"	43.041102
"202688"	1629.97596	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+2Na-H"	44.97116
"642610"	2422.47836	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+2Na-H"	44.97116
"1145267"	837.47356	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2Na-H"	44.97116
"187952"	815.491618	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+2Na"	45.978436
"627759"	1211.742818	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+2Na"	45.978436
"1121537"	419.240418	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2Na"	45.978436
"1412840"	279.829370666667	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H+2Na"	46.985712
"1442646"	839.515146	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H+HCOOH"	47.012746
"230152"	820.52464	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+3H2O+2H"	56.04448
"1522352"	853.56719	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+IsoProp+H"	61.06479
"419001"	823.478588	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+Na+K"	61.952376
"782182"	1219.729788	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+Na+K"	61.952376
"1675237"	427.227388	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Na+K"	61.952376
"258476"	1649.020568	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+ACN+Na"	64.015768
"1237746"	856.518168	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+ACN+Na"	64.015768
"1721166"	856.541693	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+NH4+HCOOH"	64.039293
"1190895"	287.156684666667	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+3Na"	68.967654
"1660790"	861.497088	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Na+HCOOH"	68.994688
"169839"	1661.92384	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+2K-H"	76.91904
"605024"	2454.42624	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+2K-H"	76.91904
"1098651"	869.42144	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2K-H"	76.91904
"150729"	831.465558	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"2M+2K"	77.926316
"585914"	1227.716758	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"3M+2K"	77.926316
"1076987"	435.214358	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2K"	77.926316
"1099913"	871.435992	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2K+H"	78.933592
"1349255"	871.523607	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+DMSO+H"	79.021207
"1015111"	875.562776	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2ACN+H"	83.060376
"1525579"	876.556408	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+IsoProp+Na+H"	84.054008
"990160"	438.285026	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+2ACN+2H"	84.067652
"1588714"	877.471028	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+K+HCOOH"	84.968628
"1417657"	907.502538	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+H+CF3COOH"	115.000138
"1147950"	458.798301	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+3ACN+2H"	125.094202
"1699690"	924.529085	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+NH4+CF3COOH"	132.026685
"1634369"	929.48448	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+Na+CF3COOH"	136.98208
"1576460"	945.45842	"C06764"	"Tetranactin"	"C44H72O12"	"792.5024"	"M+K+CF3COOH"	152.95602
"816631"	1582.6453	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M"	0
"985833"	1563.62691	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-H2O-H"	-19.01839
"77355"	1054.08959066667	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M-3H"	-3.021828
"515822"	1581.638024	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M-3H"	-3.021828
"894232"	526.541157333333	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-3H"	-3.021828
"11105"	1581.638024	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M-2H"	-2.014552
"444470"	2372.960674	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M-2H"	-2.014552
"825187"	790.315374	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-2H"	-2.014552
"81169"	3164.283324	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M-H"	-1.007276
"521459"	4746.928624	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M-H"	-1.007276
"897800"	1581.638024	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-H"	-1.007276
"50351"	3181.309871	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M-2H+NH4"	16.019271
"489911"	4763.955171	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M-2H+NH4"	16.019271
"867713"	1598.664571	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-2H+NH4"	16.019271
"33547"	3186.265266	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M-2H+Na"	20.974666
"474324"	4768.910566	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M-2H+Na"	20.974666
"861727"	1603.619966	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-2H+Na"	20.974666
"1629074"	1603.619966	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Na-2H"	20.974666
"101232"	1599.626363	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M-H+Cl"	33.962126
"545165"	2390.949013	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M-H+Cl"	33.962126
"942210"	808.303713	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-H+Cl"	33.962126
"282304"	3200.260002	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+Cl"	34.969402
"675255"	4782.905302	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+Cl"	34.969402
"1287533"	1617.614702	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Cl"	34.969402
"25716"	3202.239206	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M-2H+K"	36.948606
"465276"	4784.884506	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M-2H+K"	36.948606
"843076"	1619.593906	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-2H+K"	36.948606
"1567666"	1619.593906	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+K-2H"	36.948606
"956647"	1627.643494	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-H+HCOOH"	44.998194
"374858"	3210.288801	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+HCOOH-H"	44.998201
"357283"	3224.304451	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+Hac-H"	59.013851
"1502834"	1641.659151	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Hac-H"	59.013851
"968187"	1649.625451	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-H+NaCOOH"	66.980151
"120738"	1617.614702	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+2Cl"	69.938804
"564310"	2408.937352	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+2Cl"	69.938804
"1037052"	826.292052	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2Cl"	69.938804
"1256333"	1661.564185	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Br"	78.918885
"1316595"	1663.620172	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Cl+HCOOH"	80.974872
"1329717"	1685.602129	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Cl+NaCOOH"	102.956829
"922962"	1695.630886	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M-H+CF3COOH"	112.985586
"1296391"	1731.607564	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Cl+CF3COOH"	148.962264
"1370181"	1547.632624	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H-2H2O"	-35.012676
"1385491"	1565.6426	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H-H2O"	-17.0027
"288461"	3166.297876	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+H"	1.007276
"679787"	4748.943176	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+H"	1.007276
"1362695"	1583.652576	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H"	1.007276
"131210"	1583.652576	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+2H"	2.014552
"571134"	2374.975226	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+2H"	2.014552
"1042120"	792.329926	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2H"	2.014552
"209658"	1056.10414266667	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+3H"	3.021828
"646302"	1583.652576	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+3H"	3.021828
"1168805"	528.555709333333	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+3H"	3.021828
"431353"	3183.324423	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+NH4"	18.033823
"798915"	4765.969723	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+NH4"	18.033823
"1693057"	1600.679123	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+NH4"	18.033823
"342796"	1592.1658495	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+H+NH4"	19.041099
"733029"	2383.4884995	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+H+NH4"	19.041099
"1485755"	800.8431995	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H+NH4"	19.041099
"404436"	3188.279818	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+Na"	22.989218
"763250"	4770.925118	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+Na"	22.989218
"1610250"	1605.634518	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Na"	22.989218
"318102"	1594.643547	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+H+Na"	23.996494
"713808"	2385.966197	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+H+Na"	23.996494
"1462160"	803.320897	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H+Na"	23.996494
"1053095"	535.883023333333	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2H+Na"	25.00377
"1258422"	1615.678786	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+CH3OH+H"	33.033486
"377969"	3204.253758	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+K"	38.963158
"742489"	4786.899058	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+K"	38.963158
"1541991"	1621.608458	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+K"	38.963158
"303540"	1602.630517	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+H+K"	39.970434
"698150"	2393.953167	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+H+K"	39.970434
"1450875"	811.307867	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H+K"	39.970434
"247131"	3207.324426	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+ACN+H"	42.033826
"1220934"	1624.679126	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+ACN+H"	42.033826
"1207004"	812.843201	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+ACN+2H"	43.041102
"203156"	3210.26176	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+2Na-H"	44.97116
"641623"	4792.90706	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+2Na-H"	44.97116
"1141849"	1627.61646	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2Na-H"	44.97116
"187572"	1605.634518	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+2Na"	45.978436
"625794"	2396.957168	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+2Na"	45.978436
"1120188"	814.311868	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2Na"	45.978436
"1411735"	543.210337333333	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H+2Na"	46.985712
"1443486"	1629.658046	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H+HCOOH"	47.012746
"229169"	1610.66754	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+3H2O+2H"	56.04448
"1522220"	1643.71009	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+IsoProp+H"	61.06479
"418018"	1613.621488	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+Na+K"	61.952376
"782293"	2404.944138	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+Na+K"	61.952376
"1675347"	822.298838	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Na+K"	61.952376
"260773"	3229.306368	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+ACN+Na"	64.015768
"1236761"	1646.661068	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+ACN+Na"	64.015768
"1726379"	1646.684593	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+NH4+HCOOH"	64.039293
"1189543"	550.537651333333	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+3Na"	68.967654
"1664057"	1651.639988	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Na+HCOOH"	68.994688
"166668"	3242.20964	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+2K-H"	76.91904
"609508"	4824.85494	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+2K-H"	76.91904
"1092928"	1659.56434	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2K-H"	76.91904
"146463"	1621.608458	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"2M+2K"	77.926316
"588209"	2412.931108	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"3M+2K"	77.926316
"1074910"	830.285808	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2K"	77.926316
"1111401"	1661.578892	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2K+H"	78.933592
"1342315"	1661.666507	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+DMSO+H"	79.021207
"1009752"	1665.705676	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2ACN+H"	83.060376
"1525445"	1666.699308	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+IsoProp+Na+H"	84.054008
"990920"	833.356476	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+2ACN+2H"	84.067652
"1588215"	1667.613928	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+K+HCOOH"	84.968628
"1417769"	1697.645438	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+H+CF3COOH"	115.000138
"1150251"	853.869751	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+3ACN+2H"	125.094202
"1700896"	1714.671985	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+NH4+CF3COOH"	132.026685
"1635452"	1719.62738	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+Na+CF3COOH"	136.98208
"1586413"	1735.60132	"C06765"	"Flavomycin;Bambermycin;Moenomycin A"	"C69H107N4O35P"	"1582.6453"	"M+K+CF3COOH"	152.95602
"816056"	651.1462	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M"	0
"989100"	632.12781	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-H2O-H"	-19.01839
"77468"	433.090190666667	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M-3H"	-3.021828
"515933"	650.138924	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M-3H"	-3.021828
"889361"	216.041457333333	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-3H"	-3.021828
"10122"	650.138924	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M-2H"	-2.014552
"444216"	975.712024	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M-2H"	-2.014552
"825297"	324.565824	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-2H"	-2.014552
"82373"	1301.285124	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M-H"	-1.007276
"521933"	1952.431324	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M-H"	-1.007276
"899368"	650.138924	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-H"	-1.007276
"52648"	1318.311671	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M-2H+NH4"	16.019271
"490021"	1969.457871	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M-2H+NH4"	16.019271
"866730"	667.165471	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-2H+NH4"	16.019271
"34631"	1323.267066	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M-2H+Na"	20.974666
"473461"	1974.413266	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M-2H+Na"	20.974666
"855277"	672.120866	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-2H+Na"	20.974666
"1622624"	672.120866	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Na-2H"	20.974666
"105715"	668.127263	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M-H+Cl"	33.962126
"543088"	993.700363	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M-H+Cl"	33.962126
"942405"	342.554163	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-H+Cl"	33.962126
"280630"	1337.261802	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+Cl"	34.969402
"675449"	1988.408002	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+Cl"	34.969402
"1287643"	686.115602	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Cl"	34.969402
"30199"	1339.241006	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M-2H+K"	36.948606
"467573"	1990.387206	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M-2H+K"	36.948606
"843186"	688.094806	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-2H+K"	36.948606
"1569963"	688.094806	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+K-2H"	36.948606
"956387"	696.144394	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-H+HCOOH"	44.998194
"374237"	1347.290601	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+HCOOH-H"	44.998201
"359579"	1361.306251	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+Hac-H"	59.013851
"1503307"	710.160051	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Hac-H"	59.013851
"966473"	718.126351	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-H+NaCOOH"	66.980151
"119755"	686.115602	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+2Cl"	69.938804
"563326"	1011.688702	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+2Cl"	69.938804
"1036669"	360.542502	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2Cl"	69.938804
"1254255"	730.065085	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Br"	78.918885
"1316704"	732.121072	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Cl+HCOOH"	80.974872
"1332014"	754.103029	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Cl+NaCOOH"	102.956829
"919792"	764.131786	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M-H+CF3COOH"	112.985586
"1299779"	800.108464	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Cl+CF3COOH"	148.962264
"1371384"	616.133524	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H-2H2O"	-35.012676
"1388880"	634.1435	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H-H2O"	-17.0027
"295131"	1303.299676	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+H"	1.007276
"683178"	1954.445876	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+H"	1.007276
"1359525"	652.153476	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H"	1.007276
"136788"	652.153476	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+2H"	2.014552
"570881"	977.726576	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+2H"	2.014552
"1046239"	326.580376	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2H"	2.014552
"210130"	435.104742666667	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+3H"	3.021828
"648236"	652.153476	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+3H"	3.021828
"1169645"	218.056009333333	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+3H"	3.021828
"434015"	1320.326223	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+NH4"	18.033823
"795012"	1971.472423	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+NH4"	18.033823
"1691343"	669.180023	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+NH4"	18.033823
"343634"	660.6667495	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+H+NH4"	19.041099
"736421"	986.2398495	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+H+NH4"	19.041099
"1490969"	335.0936495	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H+NH4"	19.041099
"405639"	1325.281618	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+Na"	22.989218
"768463"	1976.427818	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+Na"	22.989218
"1612548"	674.135418	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Na"	22.989218
"320398"	663.144447	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+H+Na"	23.996494
"716104"	988.717547	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+H+Na"	23.996494
"1463730"	337.571347	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H+Na"	23.996494
"1053692"	225.383323333333	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2H+Na"	25.00377
"1258291"	684.179686	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+CH3OH+H"	33.033486
"378200"	1341.255558	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+K"	38.963158
"740046"	1992.401758	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+K"	38.963158
"1544288"	690.109358	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+K"	38.963158
"303650"	671.131417	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+H+K"	39.970434
"698260"	996.704517	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+H+K"	39.970434
"1452079"	345.558317	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H+K"	39.970434
"246148"	1344.326226	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+ACN+H"	42.033826
"1221045"	693.180026	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+ACN+H"	42.033826
"1207114"	347.093651	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+ACN+2H"	43.041102
"199986"	1347.26356	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+2Na-H"	44.97116
"642828"	1998.40976	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+2Na-H"	44.97116
"1138679"	696.11736	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2Na-H"	44.97116
"183062"	674.135418	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+2Na"	45.978436
"623716"	999.708518	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+2Na"	45.978436
"1121390"	348.562318	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2Na"	45.978436
"1413790"	232.710637333333	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H+2Na"	46.985712
"1442865"	698.158946	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H+HCOOH"	47.012746
"228186"	679.16844	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+3H2O+2H"	56.04448
"1523743"	712.21099	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+IsoProp+H"	61.06479
"422504"	682.122388	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+Na+K"	61.952376
"782404"	1007.695488	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+Na+K"	61.952376
"1672181"	356.549288	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Na+K"	61.952376
"263074"	1366.308168	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+ACN+Na"	64.015768
"1239061"	715.161968	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+ACN+Na"	64.015768
"1725759"	715.185493	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+NH4+HCOOH"	64.039293
"1193182"	240.037951333333	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+3Na"	68.967654
"1659917"	720.140888	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Na+HCOOH"	68.994688
"163498"	1379.21144	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+2K-H"	76.91904
"606340"	2030.35764	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+2K-H"	76.91904
"1089028"	728.06524	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2K-H"	76.91904
"146571"	690.109358	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"2M+2K"	77.926316
"585037"	1015.682458	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"3M+2K"	77.926316
"1078297"	364.536258	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2K"	77.926316
"1110415"	730.079792	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2K+H"	78.933592
"1341332"	730.167407	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+DMSO+H"	79.021207
"1009860"	734.206576	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2ACN+H"	83.060376
"1526405"	735.200208	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+IsoProp+Na+H"	84.054008
"991395"	367.606926	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+2ACN+2H"	84.067652
"1588573"	736.114828	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+K+HCOOH"	84.968628
"1417880"	766.146338	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+H+CF3COOH"	115.000138
"1150725"	388.120201	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+3ACN+2H"	125.094202
"1704286"	783.172885	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+NH4+CF3COOH"	132.026685
"1638843"	788.12828	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+Na+CF3COOH"	136.98208
"1586523"	804.10222	"C06767"	"Hemine;Hemin"	"C34H32ClFeN4O4"	"651.1462"	"M+K+CF3COOH"	152.95602
"813614"	705.2646	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M"	0
"988239"	686.24621	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-H2O-H"	-19.01839
"77453"	469.169124	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M-3H"	-3.021828
"514587"	704.257324	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M-3H"	-3.021828
"893844"	234.080924	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-3H"	-3.021828
"12419"	704.257324	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M-2H"	-2.014552
"444326"	1056.889624	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M-2H"	-2.014552
"826501"	351.625024	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-2H"	-2.014552
"83213"	1409.521924	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M-H"	-1.007276
"522772"	2114.786524	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M-H"	-1.007276
"898384"	704.257324	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-H"	-1.007276
"52757"	1426.548471	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M-2H+NH4"	16.019271
"491224"	2131.813071	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M-2H+NH4"	16.019271
"867934"	721.283871	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-2H+NH4"	16.019271
"38021"	1431.503866	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M-2H+Na"	20.974666
"475394"	2136.768466	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M-2H+Na"	20.974666
"855387"	726.239266	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-2H+Na"	20.974666
"1622734"	726.239266	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Na-2H"	20.974666
"99261"	722.245663	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M-H+Cl"	33.962126
"543198"	1074.877963	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M-H+Cl"	33.962126
"942719"	369.613363	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-H+Cl"	33.962126
"279647"	1445.498602	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+Cl"	34.969402
"675577"	2150.763202	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+Cl"	34.969402
"1285566"	740.234002	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Cl"	34.969402
"30188"	1447.477806	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M-2H+K"	36.948606
"466225"	2152.742406	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M-2H+K"	36.948606
"843296"	742.213206	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-2H+K"	36.948606
"1567884"	742.213206	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+K-2H"	36.948606
"956132"	750.262794	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-H+HCOOH"	44.998194
"368513"	1455.527401	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+HCOOH-H"	44.998201
"349116"	1469.543051	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+Hac-H"	59.013851
"1497947"	764.278451	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Hac-H"	59.013851
"960142"	772.244751	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-H+NaCOOH"	66.980151
"119865"	740.234002	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+2Cl"	69.938804
"558333"	1092.866302	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+2Cl"	69.938804
"1036937"	387.601702	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2Cl"	69.938804
"1249992"	784.183485	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Br"	78.918885
"1311346"	786.239472	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Cl+HCOOH"	80.974872
"1329936"	808.221429	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Cl+NaCOOH"	102.956829
"915528"	818.250186	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M-H+CF3COOH"	112.985586
"1291505"	854.226864	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Cl+CF3COOH"	148.962264
"1367364"	670.251924	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H-2H2O"	-35.012676
"1385712"	688.2619	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H-H2O"	-17.0027
"294148"	1411.536476	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+H"	1.007276
"687663"	2116.801076	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+H"	1.007276
"1357449"	706.271876	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H"	1.007276
"132525"	706.271876	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+2H"	2.014552
"570990"	1058.904176	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+2H"	2.014552
"1041976"	353.639576	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2H"	2.014552
"208054"	471.183676	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+3H"	3.021828
"648346"	706.271876	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+3H"	3.021828
"1170848"	236.095476	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+3H"	3.021828
"430840"	1428.563023	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+NH4"	18.033823
"796214"	2133.827623	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+NH4"	18.033823
"1694737"	723.298423	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+NH4"	18.033823
"341919"	714.7851495	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+H+NH4"	19.041099
"732888"	1067.4174495	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+H+NH4"	19.041099
"1488164"	362.1528495	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H+NH4"	19.041099
"403563"	1433.518418	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+Na"	22.989218
"764563"	2138.783018	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+Na"	22.989218
"1610472"	728.253818	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Na"	22.989218
"321600"	717.262847	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+H+Na"	23.996494
"710743"	1069.895147	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+H+Na"	23.996494
"1464570"	364.630547	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H+Na"	23.996494
"1054898"	243.42279	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2H+Na"	25.00377
"1259495"	738.298086	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+CH3OH+H"	33.033486
"383536"	1449.492358	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+K"	38.963158
"743438"	2154.756958	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+K"	38.963158
"1545492"	744.227758	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+K"	38.963158
"302666"	725.249817	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+H+K"	39.970434
"694360"	1077.882117	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+H+K"	39.970434
"1451096"	372.617517	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H+K"	39.970434
"242979"	1452.563026	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+ACN+H"	42.033826
"1218968"	747.298426	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+ACN+H"	42.033826
"1206131"	374.152851	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+ACN+2H"	43.041102
"197909"	1455.50036	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+2Na-H"	44.97116
"640751"	2160.76496	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+2Na-H"	44.97116
"1137697"	750.23576	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2Na-H"	44.97116
"186453"	728.253818	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+2Na"	45.978436
"626014"	1080.886118	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+2Na"	45.978436
"1118586"	375.621518	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2Na"	45.978436
"1412319"	250.750104	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H+2Na"	46.985712
"1441882"	752.277346	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H+HCOOH"	47.012746
"232671"	733.28684	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+3H2O+2H"	56.04448
"1522557"	766.32939	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+IsoProp+H"	61.06479
"422616"	736.240788	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+Na+K"	61.952376
"780329"	1088.873088	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+Na+K"	61.952376
"1676666"	383.608488	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Na+K"	61.952376
"261001"	1474.544968	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+ACN+Na"	64.015768
"1238080"	769.280368	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+ACN+Na"	64.015768
"1725872"	769.303893	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+NH4+HCOOH"	64.039293
"1193413"	258.077418	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+3Na"	68.967654
"1664404"	774.259288	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Na+HCOOH"	68.994688
"167984"	1487.44824	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+2K-H"	76.91904
"612043"	2192.71284	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+2K-H"	76.91904
"1099427"	782.18364	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2K-H"	76.91904
"146682"	744.227758	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"2M+2K"	77.926316
"582230"	1096.860058	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"3M+2K"	77.926316
"1075128"	391.595458	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2K"	77.926316
"1110528"	784.198192	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2K+H"	78.933592
"1344724"	784.285807	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+DMSO+H"	79.021207
"1012159"	788.324976	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2ACN+H"	83.060376
"1527369"	789.318608	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+IsoProp+Na+H"	84.054008
"992720"	394.666126	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+2ACN+2H"	84.067652
"1591236"	790.233228	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+K+HCOOH"	84.968628
"1417993"	820.264738	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+H+CF3COOH"	115.000138
"1150835"	415.179401	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+3ACN+2H"	125.094202
"1704396"	837.291285	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+NH4+CF3COOH"	132.026685
"1645514"	842.24668	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+Na+CF3COOH"	136.98208
"1586633"	858.22062	"C06769"	"Vibriobactin"	"C35H39N5O11"	"705.2646"	"M+K+CF3COOH"	152.95602
"816274"	1254.6285	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M"	0
"983973"	1235.61011	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-H2O-H"	-19.01839
"77563"	835.411724	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M-3H"	-3.021828
"515789"	1253.621224	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M-3H"	-3.021828
"892860"	417.202224	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-3H"	-3.021828
"14353"	1253.621224	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M-2H"	-2.014552
"445530"	1880.935474	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M-2H"	-2.014552
"826611"	626.306974	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-2H"	-2.014552
"86603"	2508.249724	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M-H"	-1.007276
"521788"	3762.878224	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M-H"	-1.007276
"899953"	1253.621224	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-H"	-1.007276
"52868"	2525.276271	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M-2H+NH4"	16.019271
"491334"	3779.904771	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M-2H+NH4"	16.019271
"868772"	1270.647771	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-2H+NH4"	16.019271
"38131"	2530.231666	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M-2H+Na"	20.974666
"474045"	3784.860166	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M-2H+Na"	20.974666
"855497"	1275.603166	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-2H+Na"	20.974666
"1622844"	1275.603166	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Na-2H"	20.974666
"98641"	1271.609563	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M-H+Cl"	33.962126
"540028"	1898.923813	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M-H+Cl"	33.962126
"942177"	644.295313	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-H+Cl"	33.962126
"277570"	2544.226402	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+Cl"	34.969402
"673273"	3798.854902	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+Cl"	34.969402
"1284582"	1289.597902	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Cl"	34.969402
"24950"	2546.205606	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M-2H+K"	36.948606
"466698"	3800.834106	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M-2H+K"	36.948606
"842313"	1291.577106	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-2H+K"	36.948606
"1563618"	1291.577106	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+K-2H"	36.948606
"954054"	1299.626694	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-H+HCOOH"	44.998194
"367530"	2554.255201	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+HCOOH-H"	44.998201
"352506"	2568.270851	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+Hac-H"	59.013851
"1498057"	1313.642351	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Hac-H"	59.013851
"962317"	1321.608651	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-H+NaCOOH"	66.980151
"119975"	1289.597902	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+2Cl"	69.938804
"559536"	1916.912152	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+2Cl"	69.938804
"1036357"	662.283652	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2Cl"	69.938804
"1250102"	1333.547385	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Br"	78.918885
"1311456"	1335.603372	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Cl+HCOOH"	80.974872
"1330046"	1357.585329	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Cl+NaCOOH"	102.956829
"916731"	1367.614086	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M-H+CF3COOH"	112.985586
"1293437"	1403.590764	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Cl+CF3COOH"	148.962264
"1367473"	1219.615824	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H-2H2O"	-35.012676
"1384729"	1237.6258	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H-H2O"	-17.0027
"290978"	2510.264276	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+H"	1.007276
"687409"	3764.892776	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+H"	1.007276
"1356466"	1255.635776	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H"	1.007276
"131542"	1255.635776	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+2H"	2.014552
"567456"	1882.950026	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+2H"	2.014552
"1040993"	628.321526	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2H"	2.014552
"208162"	837.426276	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+3H"	3.021828
"648456"	1255.635776	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+3H"	3.021828
"1169864"	419.216776	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+3H"	3.021828
"432043"	2527.290823	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+NH4"	18.033823
"795230"	3781.919323	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+NH4"	18.033823
"1689378"	1272.662323	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+NH4"	18.033823
"343491"	1264.1490495	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+H+NH4"	19.041099
"735913"	1891.4632995	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+H+NH4"	19.041099
"1489364"	636.8347995	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H+NH4"	19.041099
"402579"	2532.246218	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+Na"	22.989218
"766860"	3786.874718	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+Na"	22.989218
"1610583"	1277.617718	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Na"	22.989218
"320618"	1266.626747	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+H+Na"	23.996494
"714135"	1893.940997	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+H+Na"	23.996494
"1463587"	639.312497	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H+Na"	23.996494
"1055374"	426.54409	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2H+Na"	25.00377
"1265072"	1287.661986	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+CH3OH+H"	33.033486
"386927"	2548.220158	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+K"	38.963158
"746828"	3802.848658	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+K"	38.963158
"1547789"	1293.591658	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+K"	38.963158
"302776"	1274.613717	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+H+K"	39.970434
"697386"	1901.927967	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+H+K"	39.970434
"1453393"	647.299467	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H+K"	39.970434
"240173"	2551.290826	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+ACN+H"	42.033826
"1220172"	1296.662326	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+ACN+H"	42.033826
"1205878"	648.834801	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+ACN+2H"	43.041102
"198019"	2554.22816	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+2Na-H"	44.97116
"637581"	3808.85666	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+2Na-H"	44.97116
"1141088"	1299.59966	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2Na-H"	44.97116
"187905"	1277.617718	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+2Na"	45.978436
"625760"	1904.931968	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+2Na"	45.978436
"1119790"	650.303468	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2Na"	45.978436
"1409515"	433.871404	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H+2Na"	46.985712
"1441265"	1301.641246	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H+HCOOH"	47.012746
"232054"	1282.65074	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+3H2O+2H"	56.04448
"1521575"	1315.69329	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+IsoProp+H"	61.06479
"420539"	1285.604688	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+Na+K"	61.952376
"781168"	1912.918938	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+Na+K"	61.952376
"1677869"	658.290438	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Na+K"	61.952376
"265118"	2573.272768	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+ACN+Na"	64.015768
"1238190"	1318.644268	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+ACN+Na"	64.015768
"1723795"	1318.667793	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+NH4+HCOOH"	64.039293
"1194014"	441.198718	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+3Na"	68.967654
"1665244"	1323.623188	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Na+HCOOH"	68.994688
"170281"	2586.17604	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+2K-H"	76.91904
"610935"	3840.80454	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+2K-H"	76.91904
"1099537"	1331.54754	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2K-H"	76.91904
"148979"	1293.591658	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"2M+2K"	77.926316
"583435"	1920.905908	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"3M+2K"	77.926316
"1079613"	666.277408	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2K"	77.926316
"1112825"	1333.562092	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2K+H"	78.933592
"1347020"	1333.649707	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+DMSO+H"	79.021207
"1014456"	1337.688876	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2ACN+H"	83.060376
"1526022"	1338.682508	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+IsoProp+Na+H"	84.054008
"994652"	669.348076	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+2ACN+2H"	84.067652
"1591346"	1339.597128	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+K+HCOOH"	84.968628
"1419196"	1369.628638	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+H+CF3COOH"	115.000138
"1150945"	689.861351	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+3ACN+2H"	125.094202
"1704506"	1386.655185	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+NH4+CF3COOH"	132.026685
"1645624"	1391.61058	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+Na+CF3COOH"	136.98208
"1586743"	1407.58452	"C06770"	"Actinomycin D;Dactinomycin"	"C62H86N12O16"	"1254.6285"	"M+K+CF3COOH"	152.95602
"816383"	149.1052	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M"	0
"986270"	130.08681	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-H2O-H"	-19.01839
"76702"	98.3961906666667	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M-3H"	-3.021828
"515536"	148.097924	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M-3H"	-3.021828
"893334"	48.6944573333333	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-3H"	-3.021828
"12275"	148.097924	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M-2H"	-2.014552
"442359"	222.650524	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M-2H"	-2.014552
"823441"	73.545324	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-2H"	-2.014552
"83432"	297.203124	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M-H"	-1.007276
"523356"	446.308324	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M-H"	-1.007276
"899333"	148.097924	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-H"	-1.007276
"54072"	314.229671	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M-2H+NH4"	16.019271
"491808"	463.334871	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M-2H+NH4"	16.019271
"865844"	165.124471	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-2H+NH4"	16.019271
"36418"	319.185066	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M-2H+Na"	20.974666
"473547"	468.290266	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M-2H+Na"	20.974666
"850868"	170.079866	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-2H+Na"	20.974666
"1622954"	170.079866	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Na-2H"	20.974666
"97291"	166.086263	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M-H+Cl"	33.962126
"540138"	240.638863	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M-H+Cl"	33.962126
"941679"	91.533663	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-H+Cl"	33.962126
"279866"	333.179802	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+Cl"	34.969402
"673749"	482.285002	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+Cl"	34.969402
"1284692"	184.074602	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Cl"	34.969402
"28341"	335.159006	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M-2H+K"	36.948606
"468630"	484.264206	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M-2H+K"	36.948606
"844974"	186.053806	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-2H+K"	36.948606
"1563727"	186.053806	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+K-2H"	36.948606
"952704"	194.103394	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-H+HCOOH"	44.998194
"365452"	343.208601	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+HCOOH-H"	44.998201
"355896"	357.224251	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+Hac-H"	59.013851
"1499261"	208.119051	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Hac-H"	59.013851
"961332"	216.085351	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-H+NaCOOH"	66.980151
"118990"	184.074602	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+2Cl"	69.938804
"562198"	258.627202	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+2Cl"	69.938804
"1034278"	109.522002	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2Cl"	69.938804
"1251305"	228.024085	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Br"	78.918885
"1314845"	230.080072	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Cl+HCOOH"	80.974872
"1332343"	252.062029	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Cl+NaCOOH"	102.956829
"917934"	262.090786	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M-H+CF3COOH"	112.985586
"1294640"	298.067464	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Cl+CF3COOH"	148.962264
"1370624"	114.092524	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H-2H2O"	-35.012676
"1388119"	132.1025	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H-H2O"	-17.0027
"285621"	299.217676	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+H"	1.007276
"684603"	448.322876	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+H"	1.007276
"1355483"	150.112476	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H"	1.007276
"128736"	150.112476	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+2H"	2.014552
"567930"	224.665076	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+2H"	2.014552
"1042196"	75.559876	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2H"	2.014552
"210094"	100.410742666667	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+3H"	3.021828
"650753"	150.112476	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+3H"	3.021828
"1169975"	50.7090093333333	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+3H"	3.021828
"429237"	316.244223	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+NH4"	18.033823
"790964"	465.349423	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+NH4"	18.033823
"1687298"	167.139023	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+NH4"	18.033823
"344573"	158.6257495	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+H+NH4"	19.041099
"736386"	233.1783495	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+H+NH4"	19.041099
"1487288"	84.0731495	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H+NH4"	19.041099
"403782"	321.199618	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+Na"	22.989218
"767699"	470.304818	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+Na"	22.989218
"1611786"	172.094418	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Na"	22.989218
"321824"	161.103447	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+H+Na"	23.996494
"714245"	235.656047	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+H+Na"	23.996494
"1466977"	86.550847	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H+Na"	23.996494
"1056943"	58.0363233333333	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2H+Na"	25.00377
"1265182"	182.138686	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+CH3OH+H"	33.033486
"389224"	337.173558	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+K"	38.963158
"749125"	486.278758	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+K"	38.963158
"1551179"	188.068358	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+K"	38.963158
"307260"	169.090417	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+H+K"	39.970434
"701506"	243.643017	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+H+K"	39.970434
"1458242"	94.537817	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H+K"	39.970434
"241376"	340.244226	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+ACN+H"	42.033826
"1223564"	191.139026	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+ACN+H"	42.033826
"1205988"	96.073151	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+ACN+2H"	43.041102
"200681"	343.18156	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+2Na-H"	44.97116
"639878"	492.28676	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+2Na-H"	44.97116
"1141198"	194.07636	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2Na-H"	44.97116
"187772"	172.094418	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+2Na"	45.978436
"626236"	246.647018	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+2Na"	45.978436
"1118440"	97.541818	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2Na"	45.978436
"1408532"	65.3636373333333	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H+2Na"	46.985712
"1439187"	196.117946	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H+HCOOH"	47.012746
"229612"	177.12744	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+3H2O+2H"	56.04448
"1522414"	210.16999	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+IsoProp+H"	61.06479
"422472"	180.081388	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+Na+K"	61.952376
"779092"	254.633988	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+Na+K"	61.952376
"1676886"	105.528788	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Na+K"	61.952376
"264499"	362.226168	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+ACN+Na"	64.015768
"1239393"	213.120968	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+ACN+Na"	64.015768
"1722813"	213.144493	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+NH4+HCOOH"	64.039293
"1193270"	72.6909513333333	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+3Na"	68.967654
"1663407"	218.099888	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Na+HCOOH"	68.994688
"168203"	375.12944	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+2K-H"	76.91904
"611045"	524.23464	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+2K-H"	76.91904
"1098472"	226.02424	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2K-H"	76.91904
"147267"	188.068358	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"2M+2K"	77.926316
"582448"	262.620958	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"3M+2K"	77.926316
"1077537"	113.515758	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2K"	77.926316
"1108561"	228.038792	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2K+H"	78.933592
"1344946"	228.126407	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+DMSO+H"	79.021207
"1014566"	232.165576	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2ACN+H"	83.060376
"1527225"	233.159208	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+IsoProp+Na+H"	84.054008
"991117"	116.586426	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+2ACN+2H"	84.067652
"1591456"	234.073828	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+K+HCOOH"	84.968628
"1418213"	264.105338	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+H+CF3COOH"	115.000138
"1153972"	137.099701	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+3ACN+2H"	125.094202
"1704617"	281.131885	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+NH4+CF3COOH"	132.026685
"1649014"	286.08728	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+Na+CF3COOH"	136.98208
"1586853"	302.06122	"C06771"	"Triethanolamine;Trolamine"	"C6H15NO3"	"149.1052"	"M+K+CF3COOH"	152.95602
"816945"	105.079	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M"	0
"987473"	86.06061	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-H2O-H"	-19.01839
"76813"	69.0453906666667	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M-3H"	-3.021828
"517105"	104.071724	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M-3H"	-3.021828
"895107"	34.0190573333333	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-3H"	-3.021828
"9466"	104.071724	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M-2H"	-2.014552
"453402"	156.611224	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M-2H"	-2.014552
"830111"	51.532224	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-2H"	-2.014552
"85730"	209.150724	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M-H"	-1.007276
"526382"	314.229724	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M-H"	-1.007276
"909649"	104.071724	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-H"	-1.007276
"58555"	226.177271	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M-2H+NH4"	16.019271
"495929"	331.256271	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M-2H+NH4"	16.019271
"872638"	121.098271	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-2H+NH4"	16.019271
"38351"	231.132666	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M-2H+Na"	20.974666
"476086"	336.211666	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M-2H+Na"	20.974666
"852437"	126.053666	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-2H+Na"	20.974666
"1623064"	126.053666	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Na-2H"	20.974666
"98494"	122.060063	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M-H+Cl"	33.962126
"540248"	174.599563	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M-H+Cl"	33.962126
"941790"	69.520563	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-H+Cl"	33.962126
"278883"	245.127402	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+Cl"	34.969402
"674222"	350.206402	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+Cl"	34.969402
"1284802"	140.048402	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Cl"	34.969402
"29544"	247.106606	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M-2H+K"	36.948606
"469104"	352.185606	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M-2H+K"	36.948606
"843625"	142.027606	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-2H+K"	36.948606
"1566024"	142.027606	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+K-2H"	36.948606
"950627"	150.077194	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-H+HCOOH"	44.998194
"372122"	255.156201	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+HCOOH-H"	44.998201
"354912"	269.171851	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+Hac-H"	59.013851
"1497184"	164.092851	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Hac-H"	59.013851
"960349"	172.059151	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-H+NaCOOH"	66.980151
"114724"	140.048402	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+2Cl"	69.938804
"562672"	192.587902	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+2Cl"	69.938804
"1032929"	87.508902	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2Cl"	69.938804
"1253602"	183.997885	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Br"	78.918885
"1316048"	186.053872	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Cl+HCOOH"	80.974872
"1332450"	208.035829	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Cl+NaCOOH"	102.956829
"919138"	218.064586	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M-H+CF3COOH"	112.985586
"1299126"	254.041264	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Cl+CF3COOH"	148.962264
"1370000"	70.066324	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H-2H2O"	-35.012676
"1391509"	88.0763	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H-H2O"	-17.0027
"291198"	211.165276	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+H"	1.007276
"686536"	316.244276	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+H"	1.007276
"1358873"	106.086276	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H"	1.007276
"131033"	106.086276	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+2H"	2.014552
"571686"	158.625776	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+2H"	2.014552
"1043398"	53.546776	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2H"	2.014552
"209110"	71.0599426666667	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+3H"	3.021828
"649770"	106.086276	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+3H"	3.021828
"1171178"	36.0336093333333	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+3H"	3.021828
"433358"	228.191823	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+NH4"	18.033823
"793262"	333.270823	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+NH4"	18.033823
"1688498"	123.112823	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+NH4"	18.033823
"337870"	114.5995495	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+H+NH4"	19.041099
"727379"	167.1390495	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+H+NH4"	19.041099
"1492683"	62.0600495	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H+NH4"	19.041099
"403892"	233.147218	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+Na"	22.989218
"766715"	338.226218	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+Na"	22.989218
"1615175"	128.068218	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Na"	22.989218
"323027"	117.077247	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+H+Na"	23.996494
"717271"	169.616747	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+H+Na"	23.996494
"1464900"	64.537747	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H+Na"	23.996494
"1062520"	43.3609233333333	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2H+Na"	25.00377
"1267479"	138.112486	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+CH3OH+H"	33.033486
"389334"	249.121158	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+K"	38.963158
"751422"	354.200158	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+K"	38.963158
"1550196"	144.042158	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+K"	38.963158
"307370"	125.064217	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+H+K"	39.970434
"698698"	177.603717	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+H+K"	39.970434
"1456165"	72.524717	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H+K"	39.970434
"242578"	252.191826	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+ACN+H"	42.033826
"1222215"	147.112826	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+ACN+H"	42.033826
"1205005"	74.060051	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+ACN+2H"	43.041102
"202979"	255.12916	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+2Na-H"	44.97116
"639988"	360.20816	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+2Na-H"	44.97116
"1143495"	150.05016	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2Na-H"	44.97116
"184239"	128.068218	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+2Na"	45.978436
"626713"	180.607718	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+2Na"	45.978436
"1127302"	75.528718	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2Na"	45.978436
"1409008"	50.6882373333333	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H+2Na"	46.985712
"1441485"	152.091746	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H+HCOOH"	47.012746
"231181"	133.10124	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+3H2O+2H"	56.04448
"1517058"	166.14379	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+IsoProp+H"	61.06479
"418206"	136.055188	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+Na+K"	61.952376
"779567"	188.594688	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+Na+K"	61.952376
"1671531"	83.515688	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Na+K"	61.952376
"260237"	274.173768	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+ACN+Na"	64.015768
"1236223"	169.094768	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+ACN+Na"	64.015768
"1720737"	169.118293	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+NH4+HCOOH"	64.039293
"1189371"	58.0155513333333	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+3Na"	68.967654
"1660359"	174.073688	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Na+HCOOH"	68.994688
"168314"	287.07704	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+2K-H"	76.91904
"608968"	392.15604	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+2K-H"	76.91904
"1097611"	181.99804	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2K-H"	76.91904
"143003"	144.042158	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"2M+2K"	77.926316
"587665"	196.581658	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"3M+2K"	77.926316
"1075458"	91.502658	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2K"	77.926316
"1110854"	184.012592	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2K+H"	78.933592
"1343961"	184.100207	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+DMSO+H"	79.021207
"1014676"	188.139376	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2ACN+H"	83.060376
"1527335"	189.133008	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+IsoProp+Na+H"	84.054008
"990498"	94.573326	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+2ACN+2H"	84.067652
"1589380"	190.047628	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+K+HCOOH"	84.968628
"1418323"	220.079138	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+H+CF3COOH"	115.000138
"1154082"	115.086601	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+3ACN+2H"	125.094202
"1704727"	237.105685	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+NH4+CF3COOH"	132.026685
"1649003"	242.06108	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+Na+CF3COOH"	136.98208
"1586963"	258.03502	"C06772"	"Diethanolamine"	"C4H11NO2"	"105.079"	"M+K+CF3COOH"	152.95602
"814051"	480.0693	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M"	0
"983210"	461.05091	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-H2O-H"	-19.01839
"78317"	319.038924	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M-3H"	-3.021828
"516481"	479.062024	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M-3H"	-3.021828
"895641"	159.015824	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-3H"	-3.021828
"8483"	479.062024	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M-2H"	-2.014552
"450232"	719.096674	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M-2H"	-2.014552
"826941"	239.027374	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-2H"	-2.014552
"85840"	959.131324	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M-H"	-1.007276
"525399"	1439.200624	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M-H"	-1.007276
"899919"	479.062024	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-H"	-1.007276
"59759"	976.157871	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M-2H+NH4"	16.019271
"489843"	1456.227171	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M-2H+NH4"	16.019271
"872748"	496.088571	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-2H+NH4"	16.019271
"36274"	981.113266	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M-2H+Na"	20.974666
"475467"	1461.182566	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M-2H+Na"	20.974666
"852547"	501.043966	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-2H+Na"	20.974666
"1620258"	501.043966	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Na-2H"	20.974666
"97145"	497.050363	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M-H+Cl"	33.962126
"540358"	737.085013	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M-H+Cl"	33.962126
"942223"	257.015713	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-H+Cl"	33.962126
"276806"	995.108002	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+Cl"	34.969402
"672510"	1475.177302	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+Cl"	34.969402
"1283819"	515.038702	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Cl"	34.969402
"29654"	997.087206	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M-2H+K"	36.948606
"469214"	1477.156506	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M-2H+K"	36.948606
"842642"	517.017906	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-2H+K"	36.948606
"1566134"	517.017906	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+K-2H"	36.948606
"951831"	525.067494	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-H+HCOOH"	44.998194
"370046"	1005.136801	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+HCOOH-H"	44.998201
"355022"	1019.152451	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+Hac-H"	59.013851
"1497294"	539.083151	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Hac-H"	59.013851
"960459"	547.049451	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-H+NaCOOH"	66.980151
"111549"	515.038702	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+2Cl"	69.938804
"562053"	755.073352	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+2Cl"	69.938804
"1033039"	275.004052	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2Cl"	69.938804
"1252619"	558.988185	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Br"	78.918885
"1316158"	561.044172	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Cl+HCOOH"	80.974872
"1331467"	583.026129	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Cl+NaCOOH"	102.956829
"920341"	593.054886	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M-H+CF3COOH"	112.985586
"1299236"	629.031564	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Cl+CF3COOH"	148.962264
"1369745"	445.056624	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H-2H2O"	-35.012676
"1391619"	463.0666	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H-H2O"	-17.0027
"290215"	961.145876	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+H"	1.007276
"685917"	1441.215176	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+H"	1.007276
"1358983"	481.076576	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H"	1.007276
"130779"	481.076576	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+2H"	2.014552
"571796"	721.111226	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+2H"	2.014552
"1043508"	241.041926	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2H"	2.014552
"208491"	321.053476	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+3H"	3.021828
"648783"	481.076576	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+3H"	3.021828
"1169102"	161.030376	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+3H"	3.021828
"432374"	978.172423	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+NH4"	18.033823
"791183"	1458.241723	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+NH4"	18.033823
"1688605"	498.103123	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+NH4"	18.033823
"334700"	489.5898495	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+H+NH4"	19.041099
"727488"	729.6244995	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+H+NH4"	19.041099
"1480944"	249.5551995	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H+NH4"	19.041099
"404002"	983.127818	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+Na"	22.989218
"762809"	1463.197118	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+Na"	22.989218
"1615284"	503.058518	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Na"	22.989218
"320951"	492.067547	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+H+Na"	23.996494
"710090"	732.102197	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+H+Na"	23.996494
"1463061"	252.032897	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H+Na"	23.996494
"1060441"	168.35769	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2H+Na"	25.00377
"1267589"	513.102786	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+CH3OH+H"	33.033486
"383977"	999.101758	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+K"	38.963158
"751531"	1479.171058	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+K"	38.963158
"1549211"	519.032458	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+K"	38.963158
"306387"	500.054517	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+H+K"	39.970434
"698808"	740.089167	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+H+K"	39.970434
"1453722"	260.019867	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H+K"	39.970434
"241230"	1002.172426	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+ACN+H"	42.033826
"1216128"	522.103126	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+ACN+H"	42.033826
"1202196"	261.555201	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+ACN+2H"	43.041102
"198351"	1005.10976	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+2Na-H"	44.97116
"639003"	1485.17906	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+2Na-H"	44.97116
"1143602"	525.04046	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2Na-H"	44.97116
"186527"	503.058518	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+2Na"	45.978436
"627059"	743.093168	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+2Na"	45.978436
"1124493"	263.023868	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2Na"	45.978436
"1411302"	175.685004	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H+2Na"	46.985712
"1436854"	527.082046	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H+HCOOH"	47.012746
"225455"	508.09154	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+3H2O+2H"	56.04448
"1520077"	541.13409	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+IsoProp+H"	61.06479
"419045"	511.045488	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+Na+K"	61.952376
"781132"	751.080138	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+Na+K"	61.952376
"1671638"	271.010838	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Na+K"	61.952376
"258158"	1024.154368	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+ACN+Na"	64.015768
"1234511"	544.085068	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+ACN+Na"	64.015768
"1720846"	544.108593	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+NH4+HCOOH"	64.039293
"1187291"	183.012318	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+3Na"	68.967654
"1659371"	549.063988	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Na+HCOOH"	68.994688
"167329"	1037.05764	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+2K-H"	76.91904
"607984"	1517.12694	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+2K-H"	76.91904
"1094682"	556.98834	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2K-H"	76.91904
"154780"	519.032458	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"2M+2K"	77.926316
"583766"	759.067108	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"3M+2K"	77.926316
"1076664"	278.997808	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2K"	77.926316
"1103674"	559.002892	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2K+H"	78.933592
"1342979"	559.090507	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+DMSO+H"	79.021207
"1012599"	563.129676	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2ACN+H"	83.060376
"1524207"	564.123308	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+IsoProp+Na+H"	84.054008
"990729"	282.068476	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+2ACN+2H"	84.067652
"1587176"	565.037928	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+K+HCOOH"	84.968628
"1418433"	595.069438	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+H+CF3COOH"	115.000138
"1150910"	302.581751	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+3ACN+2H"	125.094202
"1702648"	612.095985	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+NH4+CF3COOH"	132.026685
"1639393"	617.05138	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+Na+CF3COOH"	136.98208
"1577232"	633.02532	"C06773"	"11-O-Demethylpradinone II"	"C24H16O11"	"480.0693"	"M+K+CF3COOH"	152.95602
"814161"	494.0849	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M"	0
"983320"	475.06651	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-H2O-H"	-19.01839
"78086"	328.382657333333	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M-3H"	-3.021828
"516591"	493.077624	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M-3H"	-3.021828
"895126"	163.687690666667	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-3H"	-3.021828
"9686"	493.077624	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M-2H"	-2.014552
"450343"	740.120074	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M-2H"	-2.014552
"827051"	246.035174	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-2H"	-2.014552
"87042"	987.162524	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M-H"	-1.007276
"526603"	1481.247424	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M-H"	-1.007276
"901122"	493.077624	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-H"	-1.007276
"58777"	1004.189071	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M-2H+NH4"	16.019271
"490317"	1498.273971	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M-2H+NH4"	16.019271
"875045"	510.104171	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-2H+NH4"	16.019271
"37842"	1009.144466	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M-2H+Na"	20.974666
"473268"	1503.229366	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M-2H+Na"	20.974666
"852657"	515.059566	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-2H+Na"	20.974666
"1620368"	515.059566	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Na-2H"	20.974666
"95799"	511.065963	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M-H+Cl"	33.962126
"539375"	758.108413	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M-H+Cl"	33.962126
"942007"	264.023513	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-H+Cl"	33.962126
"279102"	1023.139202	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+Cl"	34.969402
"672620"	1517.224102	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+Cl"	34.969402
"1283929"	529.054302	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Cl"	34.969402
"27577"	1025.118406	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M-2H+K"	36.948606
"466044"	1519.203306	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M-2H+K"	36.948606
"840565"	531.033506	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-2H+K"	36.948606
"1566244"	531.033506	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+K-2H"	36.948606
"954129"	539.083094	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-H+HCOOH"	44.998194
"373802"	1033.168001	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+HCOOH-H"	44.998201
"356225"	1047.183651	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+Hac-H"	59.013851
"1497404"	553.098751	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Hac-H"	59.013851
"961662"	561.065051	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-H+NaCOOH"	66.980151
"112754"	529.054302	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+2Cl"	69.938804
"564350"	776.096752	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+2Cl"	69.938804
"1033149"	282.011852	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2Cl"	69.938804
"1255890"	573.003785	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Br"	78.918885
"1317363"	575.059772	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Cl+HCOOH"	80.974872
"1331577"	597.041729	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Cl+NaCOOH"	102.956829
"922637"	607.070486	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M-H+CF3COOH"	112.985586
"1300439"	643.047164	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Cl+CF3COOH"	148.962264
"1372042"	459.072224	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H-2H2O"	-35.012676
"1390636"	477.0822	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H-H2O"	-17.0027
"291418"	989.177076	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+H"	1.007276
"686027"	1483.261976	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+H"	1.007276
"1359093"	495.092176	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H"	1.007276
"130889"	495.092176	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+2H"	2.014552
"571542"	742.134626	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+2H"	2.014552
"1044711"	248.049726	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2H"	2.014552
"210423"	330.397209333333	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+3H"	3.021828
"649622"	495.092176	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+3H"	3.021828
"1167387"	165.702242666667	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+3H"	3.021828
"428837"	1006.203623	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+NH4"	18.033823
"790200"	1500.288523	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+NH4"	18.033823
"1689808"	512.118723	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+NH4"	18.033823
"335903"	503.6054495	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+H+NH4"	19.041099
"726139"	750.6478995	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+H+NH4"	19.041099
"1479961"	256.5629995	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H+NH4"	19.041099
"404112"	1011.159018	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+Na"	22.989218
"764012"	1505.243918	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+Na"	22.989218
"1613209"	517.074118	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Na"	22.989218
"321061"	506.083147	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+H+Na"	23.996494
"712386"	753.125597	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+H+Na"	23.996494
"1463171"	259.040697	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H+Na"	23.996494
"1056173"	173.029556666667	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2H+Na"	25.00377
"1268786"	527.118386	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+CH3OH+H"	33.033486
"386274"	1027.132958	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+K"	38.963158
"751641"	1521.217858	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+K"	38.963158
"1551145"	533.048058	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+K"	38.963158
"308684"	514.070117	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+H+K"	39.970434
"701105"	761.112567	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+H+K"	39.970434
"1452740"	267.027667	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H+K"	39.970434
"242433"	1030.203626	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+ACN+H"	42.033826
"1214415"	536.118726	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+ACN+H"	42.033826
"1200120"	268.563001	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+ACN+2H"	43.041102
"197003"	1033.14096	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+2Na-H"	44.97116
"639113"	1527.22586	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+2Na-H"	44.97116
"1142620"	539.05606	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2Na-H"	44.97116
"183721"	517.074118	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+2Na"	45.978436
"625834"	764.116568	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+2Na"	45.978436
"1124603"	270.031668	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2Na"	45.978436
"1410683"	180.356870666667	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H+2Na"	46.985712
"1436964"	541.097646	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H+HCOOH"	47.012746
"224106"	522.10714	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+3H2O+2H"	56.04448
"1519823"	555.14969	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+IsoProp+H"	61.06479
"417696"	525.061088	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+Na+K"	61.952376
"780514"	772.103538	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+Na+K"	61.952376
"1671748"	278.018638	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Na+K"	61.952376
"256444"	1052.185568	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+ACN+Na"	64.015768
"1235715"	558.100668	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+ACN+Na"	64.015768
"1722050"	558.124193	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+NH4+HCOOH"	64.039293
"1187401"	187.684184666667	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+3Na"	68.967654
"1659481"	563.079588	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Na+HCOOH"	68.994688
"167439"	1065.08884	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+2K-H"	76.91904
"608094"	1559.17374	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+2K-H"	76.91904
"1092603"	571.00394	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2K-H"	76.91904
"150512"	533.048058	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"2M+2K"	77.926316
"587887"	780.090508	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"3M+2K"	77.926316
"1075682"	286.005608	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2K"	77.926316
"1106701"	573.018492	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2K+H"	78.933592
"1343088"	573.106107	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+DMSO+H"	79.021207
"1012710"	577.145276	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2ACN+H"	83.060376
"1524998"	578.138908	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+IsoProp+Na+H"	84.054008
"991813"	289.076276	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+2ACN+2H"	84.067652
"1587777"	579.053528	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+K+HCOOH"	84.968628
"1416720"	609.085038	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+H+CF3COOH"	115.000138
"1149926"	309.589551	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+3ACN+2H"	125.094202
"1700571"	626.111585	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+NH4+CF3COOH"	132.026685
"1640596"	631.06698	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+Na+CF3COOH"	136.98208
"1577342"	647.04092	"C06774"	"11-O-Demethyl-7-methoxypradinone II"	"C25H18O11"	"494.0849"	"M+K+CF3COOH"	152.95602
"816786"	464.0743	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M"	0
"986710"	445.05591	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-H2O-H"	-19.01839
"78115"	308.375590666667	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M-3H"	-3.021828
"517796"	463.067024	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M-3H"	-3.021828
"894384"	153.684157333333	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-3H"	-3.021828
"11982"	463.067024	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M-2H"	-2.014552
"453734"	695.104174	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M-2H"	-2.014552
"830079"	231.029874	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-2H"	-2.014552
"88245"	927.141324	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M-H"	-1.007276
"526713"	1391.215624	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M-H"	-1.007276
"901232"	463.067024	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-H"	-1.007276
"59980"	944.167871	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M-2H+NH4"	16.019271
"491886"	1408.242171	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M-2H+NH4"	16.019271
"872967"	480.093571	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-2H+NH4"	16.019271
"37588"	949.123266	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M-2H+Na"	20.974666
"473866"	1413.197566	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M-2H+Na"	20.974666
"850211"	485.048966	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-2H+Na"	20.974666
"1623394"	485.048966	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Na-2H"	20.974666
"95908"	481.055363	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M-H+Cl"	33.962126
"537292"	713.092513	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M-H+Cl"	33.962126
"940051"	249.018213	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-H+Cl"	33.962126
"273745"	963.118002	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+Cl"	34.969402
"674311"	1427.192302	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+Cl"	34.969402
"1284039"	499.043702	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Cl"	34.969402
"22220"	965.097206	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M-2H+K"	36.948606
"460687"	1429.171506	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M-2H+K"	36.948606
"835208"	501.022906	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-2H+K"	36.948606
"1566354"	501.022906	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+K-2H"	36.948606
"955332"	509.072494	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-H+HCOOH"	44.998194
"372453"	973.146801	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+HCOOH-H"	44.998201
"353055"	987.162451	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+Hac-H"	59.013851
"1495326"	523.088151	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Hac-H"	59.013851
"961043"	531.054451	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-H+NaCOOH"	66.980151
"110799"	499.043702	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+2Cl"	69.938804
"561178"	731.080852	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+2Cl"	69.938804
"1033259"	267.006552	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2Cl"	69.938804
"1255392"	542.993185	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Br"	78.918885
"1317473"	545.049172	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Cl+HCOOH"	80.974872
"1328406"	567.031129	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Cl+NaCOOH"	102.956829
"918375"	577.059886	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M-H+CF3COOH"	112.985586
"1295081"	613.036564	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Cl+CF3COOH"	148.962264
"1369965"	429.061624	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H-2H2O"	-35.012676
"1391839"	447.0716	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H-H2O"	-17.0027
"291528"	929.155876	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+H"	1.007276
"687230"	1393.230176	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+H"	1.007276
"1359203"	465.081576	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H"	1.007276
"130999"	465.081576	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+2H"	2.014552
"571652"	697.118726	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+2H"	2.014552
"1043728"	233.044426	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2H"	2.014552
"210533"	310.390142666667	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+3H"	3.021828
"650825"	465.081576	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+3H"	3.021828
"1168589"	155.698709333333	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+3H"	3.021828
"430769"	946.182423	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+NH4"	18.033823
"790310"	1410.256723	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+NH4"	18.033823
"1688825"	482.108123	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+NH4"	18.033823
"337106"	473.5948495	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+H+NH4"	19.041099
"725520"	705.6319995	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+H+NH4"	19.041099
"1480071"	241.5576995	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H+NH4"	19.041099
"404222"	951.137818	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+Na"	22.989218
"764122"	1415.212118	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+Na"	22.989218
"1610037"	487.063518	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Na"	22.989218
"318984"	476.072547	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+H+Na"	23.996494
"709217"	708.109697	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+H+Na"	23.996494
"1466319"	244.035397	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H+Na"	23.996494
"1054096"	163.026023333333	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2H+Na"	25.00377
"1261242"	497.107786	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+CH3OH+H"	33.033486
"387842"	967.111758	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+K"	38.963158
"748107"	1431.186058	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+K"	38.963158
"1546151"	503.037458	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+K"	38.963158
"306606"	484.059517	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+H+K"	39.970434
"697935"	716.096667	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+H+K"	39.970434
"1449568"	252.022367	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H+K"	39.970434
"237077"	970.182426	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+ACN+H"	42.033826
"1213066"	506.108126	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+ACN+H"	42.033826
"1201322"	253.557701	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+ACN+2H"	43.041102
"192372"	973.11976	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+2Na-H"	44.97116
"638130"	1437.19406	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+2Na-H"	44.97116
"1140541"	509.04546	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2Na-H"	44.97116
"183831"	487.063518	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+2Na"	45.978436
"617923"	719.100668	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+2Na"	45.978436
"1118880"	255.026368	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2Na"	45.978436
"1410794"	170.353337333333	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H+2Na"	46.985712
"1437074"	511.087046	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H+HCOOH"	47.012746
"223488"	492.09654	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+3H2O+2H"	56.04448
"1517017"	525.13909	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+IsoProp+H"	61.06479
"418536"	495.050488	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+Na+K"	61.952376
"779895"	727.087638	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+Na+K"	61.952376
"1670765"	263.013338	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Na+K"	61.952376
"258377"	992.164368	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+ACN+Na"	64.015768
"1237283"	528.090068	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+ACN+Na"	64.015768
"1725076"	528.113593	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+NH4+HCOOH"	64.039293
"1187511"	177.680651333333	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+3Na"	68.967654
"1659591"	533.068988	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Na+HCOOH"	68.994688
"171192"	1005.06764	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+2K-H"	76.91904
"607110"	1469.14194	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+2K-H"	76.91904
"1093806"	540.99334	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2K-H"	76.91904
"149528"	503.037458	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"2M+2K"	77.926316
"586907"	735.074608	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"3M+2K"	77.926316
"1077978"	271.000308	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2K"	77.926316
"1107905"	543.007892	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2K+H"	78.933592
"1342104"	543.095507	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+DMSO+H"	79.021207
"1015008"	547.134676	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2ACN+H"	83.060376
"1525841"	548.128308	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+IsoProp+Na+H"	84.054008
"991196"	274.070976	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+2ACN+2H"	84.067652
"1587887"	549.042928	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+K+HCOOH"	84.968628
"1416466"	579.074438	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+H+CF3COOH"	115.000138
"1150036"	294.584251	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+3ACN+2H"	125.094202
"1699588"	596.100985	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+NH4+CF3COOH"	132.026685
"1640706"	601.05638	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+Na+CF3COOH"	136.98208
"1577452"	617.03032	"C06775"	"11-O-Demethylpradinone I"	"C24H16O10"	"464.0743"	"M+K+CF3COOH"	152.95602
"816572"	535.1115	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M"	0
"987913"	516.09311	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-H2O-H"	-19.01839
"78102"	355.733724	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M-3H"	-3.021828
"514622"	534.104224	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M-3H"	-3.021828
"891330"	177.363224	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-3H"	-3.021828
"8811"	534.104224	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M-2H"	-2.014552
"455183"	801.659974	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M-2H"	-2.014552
"830552"	266.548474	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-2H"	-2.014552
"89449"	1069.215724	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M-H"	-1.007276
"529010"	1604.327224	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M-H"	-1.007276
"903529"	534.104224	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-H"	-1.007276
"57903"	1086.242271	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M-2H+NH4"	16.019271
"492360"	1621.353771	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M-2H+NH4"	16.019271
"873077"	551.130771	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-2H+NH4"	16.019271
"38062"	1091.197666	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M-2H+Na"	20.974666
"475799"	1626.309166	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M-2H+Na"	20.974666
"850686"	556.086166	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-2H+Na"	20.974666
"1621678"	556.086166	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Na-2H"	20.974666
"96019"	552.092563	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M-H+Cl"	33.962126
"538495"	819.648313	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M-H+Cl"	33.962126
"929821"	284.536813	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-H+Cl"	33.962126
"271668"	1105.192402	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+Cl"	34.969402
"662627"	1640.303902	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+Cl"	34.969402
"1284149"	570.080902	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Cl"	34.969402
"24517"	1107.171606	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M-2H+K"	36.948606
"464077"	1642.283106	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M-2H+K"	36.948606
"838598"	572.060106	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-2H+K"	36.948606
"1565371"	572.060106	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+K-2H"	36.948606
"953255"	580.109694	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-H+HCOOH"	44.998194
"370376"	1115.221201	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+HCOOH-H"	44.998201
"353165"	1129.236851	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+Hac-H"	59.013851
"1497623"	594.125351	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Hac-H"	59.013851
"960789"	602.091651	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-H+NaCOOH"	66.980151
"111881"	570.080902	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+2Cl"	69.938804
"563474"	837.636652	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+2Cl"	69.938804
"1034462"	302.525152	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2Cl"	69.938804
"1255137"	614.030385	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Br"	78.918885
"1317583"	616.086372	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Cl+HCOOH"	80.974872
"1328518"	638.068329	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Cl+NaCOOH"	102.956829
"920672"	648.097086	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M-H+CF3COOH"	112.985586
"1295191"	684.073764	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Cl+CF3COOH"	148.962264
"1370076"	500.098824	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H-2H2O"	-35.012676
"1391949"	518.1088	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H-H2O"	-17.0027
"290545"	1071.230276	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+H"	1.007276
"685154"	1606.341776	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+H"	1.007276
"1359313"	536.118776	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H"	1.007276
"136576"	536.118776	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+2H"	2.014552
"571762"	803.674526	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+2H"	2.014552
"1042745"	268.563026	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2H"	2.014552
"206635"	357.748276	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+3H"	3.021828
"646927"	536.118776	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+3H"	3.021828
"1167967"	179.377776	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+3H"	3.021828
"430875"	1088.256823	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+NH4"	18.033823
"792605"	1623.368323	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+NH4"	18.033823
"1688934"	553.145323	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+NH4"	18.033823
"336121"	544.6320495	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+H+NH4"	19.041099
"728544"	812.1877995	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+H+NH4"	19.041099
"1484554"	277.0762995	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H+NH4"	19.041099
"403969"	1093.212218	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+Na"	22.989218
"764964"	1628.323718	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+Na"	22.989218
"1611241"	558.100718	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Na"	22.989218
"316906"	547.109747	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+H+Na"	23.996494
"709691"	814.665497	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+H+Na"	23.996494
"1467523"	279.553997	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H+Na"	23.996494
"1054933"	186.70509	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2H+Na"	25.00377
"1263537"	568.144986	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+CH3OH+H"	33.033486
"386493"	1109.186158	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+K"	38.963158
"744207"	1644.297658	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+K"	38.963158
"1546261"	574.074658	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+K"	38.963158
"303436"	555.096717	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+H+K"	39.970434
"693305"	822.652467	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+H+K"	39.970434
"1449678"	287.540967	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H+K"	39.970434
"237916"	1112.256826	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+ACN+H"	42.033826
"1212447"	577.145326	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+ACN+H"	42.033826
"1198516"	289.076301	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+ACN+2H"	43.041102
"194305"	1115.19416	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+2Na-H"	44.97116
"637146"	1650.30566	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+2Na-H"	44.97116
"1136641"	580.08266	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2Na-H"	44.97116
"180661"	558.100718	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+2Na"	45.978436
"618033"	825.656468	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+2Na"	45.978436
"1119715"	290.544968	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2Na"	45.978436
"1410538"	194.032404	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H+2Na"	46.985712
"1437184"	582.124246	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H+HCOOH"	47.012746
"223598"	563.13374	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+3H2O+2H"	56.04448
"1511294"	596.17629	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+IsoProp+H"	61.06479
"417917"	566.087688	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+Na+K"	61.952376
"780005"	833.643438	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+Na+K"	61.952376
"1670875"	298.531938	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Na+K"	61.952376
"259580"	1134.238768	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+ACN+Na"	64.015768
"1237755"	599.127268	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+ACN+Na"	64.015768
"1724821"	599.150793	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+NH4+HCOOH"	64.039293
"1187621"	201.359718	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+3Na"	68.967654
"1659701"	604.106188	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Na+HCOOH"	68.994688
"169844"	1147.14204	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+2K-H"	76.91904
"606127"	1682.25354	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+2K-H"	76.91904
"1095009"	612.03054	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2K-H"	76.91904
"149638"	574.074658	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"2M+2K"	77.926316
"589202"	841.630408	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"3M+2K"	77.926316
"1078087"	306.518908	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2K"	77.926316
"1105828"	614.045092	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2K+H"	78.933592
"1343307"	614.132707	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+DMSO+H"	79.021207
"1012931"	618.171876	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2ACN+H"	83.060376
"1526315"	619.165508	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+IsoProp+Na+H"	84.054008
"993492"	309.589576	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+2ACN+2H"	84.067652
"1587996"	620.080128	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+K+HCOOH"	84.968628
"1416576"	650.111638	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+H+CF3COOH"	115.000138
"1150146"	330.102851	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+3ACN+2H"	125.094202
"1699698"	667.138185	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+NH4+CF3COOH"	132.026685
"1640816"	672.09358	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+Na+CF3COOH"	136.98208
"1577562"	688.06752	"C06776"	"11-O-Demethylpradimicinone I"	"C27H21NO11"	"535.1115"	"M+K+CF3COOH"	152.95602
"816959"	549.1271	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M"	0
"988996"	530.10871	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-H2O-H"	-19.01839
"78093"	365.077457333333	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M-3H"	-3.021828
"514733"	548.119824	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M-3H"	-3.021828
"890347"	182.035090666667	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-3H"	-3.021828
"8921"	548.119824	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M-2H"	-2.014552
"454562"	822.683374	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M-2H"	-2.014552
"831514"	273.556274	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-2H"	-2.014552
"90652"	1097.246924	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M-H"	-1.007276
"530212"	1646.374024	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M-H"	-1.007276
"904735"	548.119824	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-H"	-1.007276
"58015"	1114.273471	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M-2H+NH4"	16.019271
"492108"	1663.400571	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M-2H+NH4"	16.019271
"869178"	565.146371	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-2H+NH4"	16.019271
"35257"	1119.228866	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M-2H+Na"	20.974666
"473476"	1668.355966	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M-2H+Na"	20.974666
"858455"	570.101766	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-2H+Na"	20.974666
"1630175"	570.101766	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Na-2H"	20.974666
"102331"	566.108163	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M-H+Cl"	33.962126
"541891"	840.671713	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M-H+Cl"	33.962126
"934309"	291.544613	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-H+Cl"	33.962126
"278340"	1133.223602	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+Cl"	34.969402
"662740"	1682.350702	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+Cl"	34.969402
"1283895"	584.096502	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Cl"	34.969402
"22440"	1135.202806	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M-2H+K"	36.948606
"466374"	1684.329906	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M-2H+K"	36.948606
"840895"	586.075706	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-2H+K"	36.948606
"1564388"	586.075706	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+K-2H"	36.948606
"953364"	594.125294	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-H+HCOOH"	44.998194
"370486"	1143.252401	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+HCOOH-H"	44.998201
"350359"	1157.268051	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+Hac-H"	59.013851
"1499922"	608.140951	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Hac-H"	59.013851
"964181"	616.107251	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-H+NaCOOH"	66.980151
"111991"	584.096502	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+2Cl"	69.938804
"563584"	858.660052	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+2Cl"	69.938804
"1035665"	309.532952	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2Cl"	69.938804
"1253063"	628.045985	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Br"	78.918885
"1317693"	630.101972	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Cl+HCOOH"	80.974872
"1329721"	652.083929	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Cl+NaCOOH"	102.956829
"922968"	662.112686	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M-H+CF3COOH"	112.985586
"1297488"	698.089364	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Cl+CF3COOH"	148.962264
"1372741"	514.114424	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H-2H2O"	-35.012676
"1389873"	532.1244	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H-H2O"	-17.0027
"293936"	1099.261476	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+H"	1.007276
"687451"	1648.388576	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+H"	1.007276
"1361612"	550.134376	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H"	1.007276
"134500"	550.134376	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+2H"	2.014552
"577341"	824.697926	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+2H"	2.014552
"1045046"	275.570826	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2H"	2.014552
"209663"	367.092009333333	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+3H"	3.021828
"650683"	550.134376	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+3H"	3.021828
"1164433"	184.049642666667	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+3H"	3.021828
"427705"	1116.288023	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+NH4"	18.033823
"794904"	1665.415123	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+NH4"	18.033823
"1689049"	567.160923	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+NH4"	18.033823
"338421"	558.6476495	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+H+NH4"	19.041099
"726834"	833.2111995	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+H+NH4"	19.041099
"1482477"	284.0840995	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H+NH4"	19.041099
"406631"	1121.243418	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+Na"	22.989218
"765438"	1670.370518	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+Na"	22.989218
"1613541"	572.116318	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Na"	22.989218
"320297"	561.125347	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+H+Na"	23.996494
"714905"	835.688897	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+H+Na"	23.996494
"1468727"	286.561797	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H+Na"	23.996494
"1060879"	191.376956666667	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2H+Na"	25.00377
"1268025"	582.160586	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+CH3OH+H"	33.033486
"389885"	1137.217358	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+K"	38.963158
"747598"	1686.344458	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+K"	38.963158
"1546371"	588.090258	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+K"	38.963158
"304640"	569.112317	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+H+K"	39.970434
"702528"	843.675867	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+H+K"	39.970434
"1449789"	294.548767	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H+K"	39.970434
"241672"	1140.288026	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+ACN+H"	42.033826
"1214381"	591.160926	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+ACN+H"	42.033826
"1197170"	296.084101	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+ACN+2H"	43.041102
"192228"	1143.22536	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+2Na-H"	44.97116
"631788"	1692.35246	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+2Na-H"	44.97116
"1142949"	594.09826	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2Na-H"	44.97116
"186238"	572.116318	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+2Na"	45.978436
"625799"	846.679868	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+2Na"	45.978436
"1119463"	297.552768	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2Na"	45.978436
"1401163"	198.704270666667	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H+2Na"	46.985712
"1432919"	596.139846	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H+HCOOH"	47.012746
"222613"	577.14934	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+3H2O+2H"	56.04448
"1513956"	610.19189	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+IsoProp+H"	61.06479
"411817"	580.103288	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+Na+K"	61.952376
"782301"	854.666838	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+Na+K"	61.952376
"1678275"	305.539738	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Na+K"	61.952376
"265159"	1162.269968	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+ACN+Na"	64.015768
"1238958"	613.142868	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+ACN+Na"	64.015768
"1726392"	613.166393	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+NH4+HCOOH"	64.039293
"1193199"	206.031584666667	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+3Na"	68.967654
"1664065"	618.121788	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Na+HCOOH"	68.994688
"171534"	1175.17324	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+2K-H"	76.91904
"611460"	1724.30034	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+2K-H"	76.91904
"1096212"	626.04614	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2K-H"	76.91904
"149748"	588.090258	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"2M+2K"	77.926316
"596362"	862.653808	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"3M+2K"	77.926316
"1072729"	313.526708	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2K"	77.926316
"1103753"	628.060692	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2K+H"	78.933592
"1346697"	628.148307	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+DMSO+H"	79.021207
"1011947"	632.187476	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2ACN+H"	83.060376
"1526792"	633.181108	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+IsoProp+Na+H"	84.054008
"991781"	316.597376	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+2ACN+2H"	84.067652
"1588839"	634.095728	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+K+HCOOH"	84.968628
"1421060"	664.127238	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+H+CF3COOH"	115.000138
"1151350"	337.110651	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+3ACN+2H"	125.094202
"1701996"	681.153785	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+NH4+CF3COOH"	132.026685
"1639833"	686.10918	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+Na+CF3COOH"	136.98208
"1577672"	702.08312	"C06777"	"Pradimicinone I"	"C28H23NO11"	"549.1271"	"M+K+CF3COOH"	152.95602
"814601"	551.1064	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M"	0
"988133"	532.08801	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-H2O-H"	-19.01839
"73095"	366.396990666667	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M-3H"	-3.021828
"511561"	550.099124	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M-3H"	-3.021828
"888270"	182.694857333333	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-3H"	-3.021828
"7937"	550.099124	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M-2H"	-2.014552
"454063"	825.652324	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M-2H"	-2.014552
"831261"	274.545924	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-2H"	-2.014552
"87482"	1101.205524	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M-H"	-1.007276
"527041"	1652.311924	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M-H"	-1.007276
"903751"	550.099124	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-H"	-1.007276
"53750"	1118.232071	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M-2H+NH4"	16.019271
"498777"	1669.338471	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M-2H+NH4"	16.019271
"867831"	567.125671	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-2H+NH4"	16.019271
"34273"	1123.187466	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M-2H+Na"	20.974666
"474561"	1674.293866	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M-2H+Na"	20.974666
"859658"	572.081066	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-2H+Na"	20.974666
"1631380"	572.081066	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Na-2H"	20.974666
"104628"	568.087463	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M-H+Cl"	33.962126
"539811"	843.640663	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M-H+Cl"	33.962126
"931867"	292.534263	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-H+Cl"	33.962126
"277356"	1137.182202	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+Cl"	34.969402
"663579"	1688.288602	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+Cl"	34.969402
"1279263"	586.075802	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Cl"	34.969402
"18540"	1139.161406	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M-2H+K"	36.948606
"463204"	1690.267806	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M-2H+K"	36.948606
"841005"	588.055006	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-2H+K"	36.948606
"1567778"	588.055006	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+K-2H"	36.948606
"952381"	596.104594	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-H+HCOOH"	44.998194
"371689"	1147.211001	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+HCOOH-H"	44.998201
"357760"	1161.226651	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+Hac-H"	59.013851
"1500032"	610.120251	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Hac-H"	59.013851
"965019"	618.086551	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-H+NaCOOH"	66.980151
"112223"	586.075802	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+2Cl"	69.938804
"563694"	861.629002	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+2Cl"	69.938804
"1036833"	310.522602	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2Cl"	69.938804
"1256983"	630.025285	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Br"	78.918885
"1318896"	632.081272	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Cl+HCOOH"	80.974872
"1333111"	654.063229	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Cl+NaCOOH"	102.956829
"924172"	664.091986	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M-H+CF3COOH"	112.985586
"1299785"	700.068664	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Cl+CF3COOH"	148.962264
"1375766"	516.093724	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H-2H2O"	-35.012676
"1387794"	534.1037	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H-H2O"	-17.0027
"291857"	1103.220076	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+H"	1.007276
"687927"	1654.326476	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+H"	1.007276
"1363908"	552.113676	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H"	1.007276
"137889"	552.113676	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+2H"	2.014552
"571982"	827.666876	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+2H"	2.014552
"1046249"	276.560476	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2H"	2.014552
"210867"	368.411542666667	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+3H"	3.021828
"648240"	552.113676	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+3H"	3.021828
"1166001"	184.709409333333	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+3H"	3.021828
"430367"	1120.246623	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+NH4"	18.033823
"796107"	1671.353023	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+NH4"	18.033823
"1688066"	569.140223	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+NH4"	18.033823
"340719"	560.6269495	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+H+NH4"	19.041099
"730954"	836.1801495	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+H+NH4"	19.041099
"1484775"	285.0737495	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H+NH4"	19.041099
"406742"	1125.202018	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+Na"	22.989218
"766641"	1676.308418	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+Na"	22.989218
"1614744"	574.095618	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Na"	22.989218
"321500"	563.104647	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+H+Na"	23.996494
"715015"	838.657847	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+H+Na"	23.996494
"1472118"	287.551447	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H+Na"	23.996494
"1064271"	192.036723333333	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2H+Na"	25.00377
"1271416"	584.139886	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+CH3OH+H"	33.033486
"388901"	1141.175958	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+K"	38.963158
"746615"	1692.282358	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+K"	38.963158
"1546481"	590.069558	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+K"	38.963158
"306937"	571.091617	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+H+K"	39.970434
"702640"	846.644817	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+H+K"	39.970434
"1448806"	295.538417	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H+K"	39.970434
"241782"	1144.246626	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+ACN+H"	42.033826
"1214491"	593.140226	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+ACN+H"	42.033826
"1197280"	297.073751	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+ACN+2H"	43.041102
"191608"	1147.18396	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+2Na-H"	44.97116
"636272"	1698.29036	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+2Na-H"	44.97116
"1135406"	596.07756	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2Na-H"	44.97116
"176871"	574.095618	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+2Na"	45.978436
"626638"	849.648818	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+2Na"	45.978436
"1119937"	298.542418	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2Na"	45.978436
"1402002"	199.364037333333	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H+2Na"	46.985712
"1432662"	598.119146	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H+HCOOH"	47.012746
"223817"	579.12864	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+3H2O+2H"	56.04448
"1512973"	612.17119	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+IsoProp+H"	61.06479
"412291"	582.082588	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+Na+K"	61.952376
"782411"	857.635788	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+Na+K"	61.952376
"1675469"	306.529388	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Na+K"	61.952376
"260894"	1166.228568	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+ACN+Na"	64.015768
"1235788"	615.122168	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+ACN+Na"	64.015768
"1725406"	615.145693	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+NH4+HCOOH"	64.039293
"1190029"	206.691351333333	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+3Na"	68.967654
"1661016"	620.101088	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Na+HCOOH"	68.994688
"168970"	1179.13184	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+2K-H"	76.91904
"609626"	1730.23824	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+2K-H"	76.91904
"1097416"	628.02544	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2K-H"	76.91904
"149858"	590.069558	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"2M+2K"	77.926316
"590514"	865.622758	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"3M+2K"	77.926316
"1073932"	314.516358	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2K"	77.926316
"1107141"	630.039992	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2K+H"	78.933592
"1340245"	630.127607	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+DMSO+H"	79.021207
"1013149"	634.166776	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2ACN+H"	83.060376
"1526535"	635.160408	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+IsoProp+Na+H"	84.054008
"992619"	317.587026	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+2ACN+2H"	84.067652
"1588945"	636.075028	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+K+HCOOH"	84.968628
"1415336"	666.106538	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+H+CF3COOH"	115.000138
"1152553"	338.100301	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+3ACN+2H"	125.094202
"1705386"	683.133085	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+NH4+CF3COOH"	132.026685
"1643223"	688.08848	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+Na+CF3COOH"	136.98208
"1577782"	704.06242	"C06778"	"11-O-Demethylpradimicinone II;Benamicin C"	"C27H21NO12"	"551.1064"	"M+K+CF3COOH"	152.95602
"816617"	565.122	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M"	0
"987150"	546.10361	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-H2O-H"	-19.01839
"72112"	375.740724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M-3H"	-3.021828
"511671"	564.114724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M-3H"	-3.021828
"888380"	187.366724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-3H"	-3.021828
"6954"	564.114724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H"	-2.014552
"453080"	846.675724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H"	-2.014552
"829790"	281.553724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-2H"	-2.014552
"89779"	1129.236724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M-H"	-1.007276
"524965"	1694.358724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M-H"	-1.007276
"902768"	564.114724	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-H"	-1.007276
"53860"	1146.263271	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H+NH4"	16.019271
"496701"	1711.385271	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H+NH4"	16.019271
"868669"	581.141271	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-2H+NH4"	16.019271
"32559"	1151.218666	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H+Na"	20.974666
"473213"	1716.340666	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H+Na"	20.974666
"859768"	586.096666	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-2H+Na"	20.974666
"1630397"	586.096666	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Na-2H"	20.974666
"104738"	582.103063	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M-H+Cl"	33.962126
"538828"	864.664063	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M-H+Cl"	33.962126
"931249"	299.542063	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-H+Cl"	33.962126
"272726"	1165.213402	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+Cl"	34.969402
"664782"	1730.335402	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+Cl"	34.969402
"1281195"	600.091402	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl"	34.969402
"18286"	1167.192606	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H+K"	36.948606
"463314"	1732.314606	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H+K"	36.948606
"841115"	602.070606	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-2H+K"	36.948606
"1567888"	602.070606	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+K-2H"	36.948606
"952491"	610.120194	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-H+HCOOH"	44.998194
"370706"	1175.242201	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+HCOOH-H"	44.998201
"354590"	1189.257851	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+Hac-H"	59.013851
"1501236"	624.135851	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Hac-H"	59.013851
"964401"	632.102151	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-H+NaCOOH"	66.980151
"112332"	600.091402	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+2Cl"	69.938804
"562711"	882.652402	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+2Cl"	69.938804
"1031512"	317.530402	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2Cl"	69.938804
"1255102"	644.040885	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Br"	78.918885
"1316820"	646.096872	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl+HCOOH"	80.974872
"1329941"	668.078829	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl+NaCOOH"	102.956829
"924282"	678.107586	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M-H+CF3COOH"	112.985586
"1294428"	714.084264	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl+CF3COOH"	148.962264
"1375876"	530.109324	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H-2H2O"	-35.012676
"1388999"	548.1193	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H-H2O"	-17.0027
"289779"	1131.251276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+H"	1.007276
"687669"	1696.373276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+H"	1.007276
"1356362"	566.129276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H"	1.007276
"133625"	566.129276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+2H"	2.014552
"572092"	848.690276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+2H"	2.014552
"1046359"	283.568276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2H"	2.014552
"209884"	377.755276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+3H"	3.021828
"647622"	566.129276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+3H"	3.021828
"1165745"	189.381276	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+3H"	3.021828
"425733"	1148.277823	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+NH4"	18.033823
"794031"	1713.399823	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+NH4"	18.033823
"1684895"	583.155823	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+NH4"	18.033823
"336453"	574.6425495	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+H+NH4"	19.041099
"732155"	857.2035495	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+H+NH4"	19.041099
"1483788"	292.0815495	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H+NH4"	19.041099
"405757"	1153.233218	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+Na"	22.989218
"763471"	1718.355218	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+Na"	22.989218
"1612668"	588.111218	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Na"	22.989218
"323797"	577.120247	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+H+Na"	23.996494
"717312"	859.681247	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+H+Na"	23.996494
"1473322"	294.559247	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H+Na"	23.996494
"1065474"	196.70859	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2H+Na"	25.00377
"1269339"	598.155486	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+CH3OH+H"	33.033486
"389011"	1169.207158	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+K"	38.963158
"746725"	1734.329158	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+K"	38.963158
"1549871"	604.085158	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+K"	38.963158
"308141"	585.107217	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+H+K"	39.970434
"699470"	867.668217	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+H+K"	39.970434
"1447093"	302.546217	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H+K"	39.970434
"240799"	1172.277826	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+ACN+H"	42.033826
"1213508"	607.155826	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+ACN+H"	42.033826
"1195686"	304.081551	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+ACN+2H"	43.041102
"191718"	1175.21516	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+2Na-H"	44.97116
"630186"	1740.33716	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+2Na-H"	44.97116
"1134056"	610.09316	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2Na-H"	44.97116
"177713"	588.111218	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+2Na"	45.978436
"622739"	870.672218	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+2Na"	45.978436
"1118952"	305.550218	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2Na"	45.978436
"1401382"	204.035904	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H+2Na"	46.985712
"1431679"	612.134746	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H+HCOOH"	47.012746
"226113"	593.14424	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+3H2O+2H"	56.04448
"1513083"	626.18679	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+IsoProp+H"	61.06479
"410214"	596.098188	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+Na+K"	61.952376
"774858"	878.659188	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+Na+K"	61.952376
"1671560"	313.537188	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Na+K"	61.952376
"262096"	1194.259768	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+ACN+Na"	64.015768
"1235899"	629.137768	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+ACN+Na"	64.015768
"1726609"	629.161293	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+NH4+HCOOH"	64.039293
"1192326"	211.363218	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+3Na"	68.967654
"1664285"	634.116688	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Na+HCOOH"	68.994688
"171148"	1207.16304	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+2K-H"	76.91904
"610828"	1772.28504	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+2K-H"	76.91904
"1098620"	642.04104	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2K-H"	76.91904
"155315"	604.085158	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"2M+2K"	77.926316
"588437"	886.646158	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"3M+2K"	77.926316
"1072221"	321.524158	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2K"	77.926316
"1105065"	644.055592	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2K+H"	78.933592
"1340719"	644.143207	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+DMSO+H"	79.021207
"1013259"	648.182376	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2ACN+H"	83.060376
"1527739"	649.176008	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+IsoProp+Na+H"	84.054008
"993458"	324.594826	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+2ACN+2H"	84.067652
"1588691"	650.090628	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+K+HCOOH"	84.968628
"1415446"	680.122138	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+H+CF3COOH"	115.000138
"1152664"	345.108101	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+3ACN+2H"	125.094202
"1705497"	697.148685	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+NH4+CF3COOH"	132.026685
"1646614"	702.10408	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+Na+CF3COOH"	136.98208
"1577892"	718.07802	"C06779"	"11-O-Demethyl-7-methoxypradimicinone II"	"C28H23NO12"	"565.122"	"M+K+CF3COOH"	152.95602
"816039"	565.122	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M"	0
"986167"	546.10361	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-H2O-H"	-19.01839
"73317"	375.740724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M-3H"	-3.021828
"508501"	564.114724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M-3H"	-3.021828
"883022"	187.366724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-3H"	-3.021828
"3784"	564.114724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H"	-2.014552
"452097"	846.675724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H"	-2.014552
"829536"	281.553724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-2H"	-2.014552
"89889"	1129.236724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M-H"	-1.007276
"529448"	1694.358724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M-H"	-1.007276
"901784"	564.114724	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-H"	-1.007276
"53970"	1146.263271	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H+NH4"	16.019271
"494624"	1711.385271	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H+NH4"	16.019271
"869145"	581.141271	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-2H+NH4"	16.019271
"33033"	1151.218666	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H+Na"	20.974666
"471945"	1716.340666	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H+Na"	20.974666
"859878"	586.096666	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-2H+Na"	20.974666
"1630506"	586.096666	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Na-2H"	20.974666
"102661"	582.103063	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M-H+Cl"	33.962126
"538938"	864.664063	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M-H+Cl"	33.962126
"929171"	299.542063	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-H+Cl"	33.962126
"272108"	1165.213402	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+Cl"	34.969402
"662342"	1730.335402	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+Cl"	34.969402
"1274742"	600.091402	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl"	34.969402
"17295"	1167.192606	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M-2H+K"	36.948606
"460143"	1732.314606	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M-2H+K"	36.948606
"837945"	602.070606	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-2H+K"	36.948606
"1567998"	602.070606	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+K-2H"	36.948606
"950414"	610.120194	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-H+HCOOH"	44.998194
"365711"	1175.242201	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+HCOOH-H"	44.998201
"354700"	1189.257851	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+Hac-H"	59.013851
"1502439"	624.135851	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Hac-H"	59.013851
"964511"	632.102151	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-H+NaCOOH"	66.980151
"111228"	600.091402	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+2Cl"	69.938804
"562821"	882.652402	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+2Cl"	69.938804
"1032715"	317.530402	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2Cl"	69.938804
"1253389"	644.040885	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Br"	78.918885
"1314743"	646.096872	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl+HCOOH"	80.974872
"1326771"	668.078829	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl+NaCOOH"	102.956829
"918925"	678.107586	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M-H+CF3COOH"	112.985586
"1288705"	714.084264	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Cl+CF3COOH"	148.962264
"1375986"	530.109324	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H-2H2O"	-35.012676
"1389109"	548.1193	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H-H2O"	-17.0027
"289889"	1131.251276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+H"	1.007276
"683404"	1696.373276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+H"	1.007276
"1351346"	566.129276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H"	1.007276
"131547"	566.129276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+2H"	2.014552
"568191"	848.690276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+2H"	2.014552
"1040632"	283.568276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2H"	2.014552
"207805"	377.755276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+3H"	3.021828
"645175"	566.129276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+3H"	3.021828
"1165855"	189.381276	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+3H"	3.021828
"425474"	1148.277823	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+NH4"	18.033823
"789766"	1713.399823	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+NH4"	18.033823
"1685002"	583.155823	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+NH4"	18.033823
"333277"	574.6425495	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+H+NH4"	19.041099
"726792"	857.2035495	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+H+NH4"	19.041099
"1480614"	292.0815495	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H+NH4"	19.041099
"394921"	1153.233218	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+Na"	22.989218
"761394"	1718.355218	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+Na"	22.989218
"1614964"	588.111218	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Na"	22.989218
"323907"	577.120247	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+H+Na"	23.996494
"717422"	859.681247	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+H+Na"	23.996494
"1473797"	294.559247	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H+Na"	23.996494
"1064490"	196.70859	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2H+Na"	25.00377
"1269449"	598.155486	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+CH3OH+H"	33.033486
"390213"	1169.207158	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+K"	38.963158
"747928"	1734.329158	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+K"	38.963158
"1548888"	604.085158	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+K"	38.963158
"308251"	585.107217	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+H+K"	39.970434
"702858"	867.668217	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+H+K"	39.970434
"1450119"	302.546217	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H+K"	39.970434
"238722"	1172.277826	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+ACN+H"	42.033826
"1211430"	607.155826	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+ACN+H"	42.033826
"1197862"	304.081551	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+ACN+2H"	43.041102
"191464"	1175.21516	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+2Na-H"	44.97116
"631025"	1740.33716	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+2Na-H"	44.97116
"1133801"	610.09316	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2Na-H"	44.97116
"176729"	588.111218	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+2Na"	45.978436
"621756"	870.672218	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+2Na"	45.978436
"1117968"	305.550218	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2Na"	45.978436
"1401126"	204.035904	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H+2Na"	46.985712
"1431061"	612.134746	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H+HCOOH"	47.012746
"222943"	593.14424	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+3H2O+2H"	56.04448
"1513193"	626.18679	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+IsoProp+H"	61.06479
"410688"	596.098188	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+Na+K"	61.952376
"772781"	878.659188	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+Na+K"	61.952376
"1671306"	313.537188	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Na+K"	61.952376
"261113"	1194.259768	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+ACN+Na"	64.015768
"1236009"	629.137768	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+ACN+Na"	64.015768
"1726719"	629.161293	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+NH4+HCOOH"	64.039293
"1191343"	211.363218	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+3Na"	68.967654
"1664516"	634.116688	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Na+HCOOH"	68.994688
"169189"	1207.16304	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+2K-H"	76.91904
"611910"	1772.28504	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+2K-H"	76.91904
"1097636"	642.04104	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2K-H"	76.91904
"155182"	604.085158	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"2M+2K"	77.926316
"590734"	886.646158	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"3M+2K"	77.926316
"1071602"	321.524158	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2K"	77.926316
"1102990"	644.055592	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2K+H"	78.933592
"1343747"	644.143207	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+DMSO+H"	79.021207
"1015555"	648.182376	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2ACN+H"	83.060376
"1527486"	649.176008	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+IsoProp+Na+H"	84.054008
"992839"	324.594826	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+2ACN+2H"	84.067652
"1588440"	650.090628	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+K+HCOOH"	84.968628
"1415923"	680.122138	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+H+CF3COOH"	115.000138
"1153868"	345.108101	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+3ACN+2H"	125.094202
"1705607"	697.148685	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+NH4+CF3COOH"	132.026685
"1643444"	702.10408	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+Na+CF3COOH"	136.98208
"1578002"	718.07802	"C06780"	"Pradimicinone II"	"C28H23NO12"	"565.122"	"M+K+CF3COOH"	152.95602
"815662"	579.1377	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M"	0
"988102"	560.11931	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-H2O-H"	-19.01839
"76345"	385.084524	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M-3H"	-3.021828
"512987"	578.130424	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M-3H"	-3.021828
"888600"	192.038624	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-3H"	-3.021828
"4258"	578.130424	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M-2H"	-2.014552
"453425"	867.699274	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M-2H"	-2.014552
"830133"	288.561574	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-2H"	-2.014552
"92065"	1157.268124	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M-H"	-1.007276
"526278"	1736.405824	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M-H"	-1.007276
"901894"	578.130424	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-H"	-1.007276
"52987"	1174.294671	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M-2H+NH4"	16.019271
"493640"	1753.432371	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M-2H+NH4"	16.019271
"869254"	595.156971	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-2H+NH4"	16.019271
"32778"	1179.250066	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M-2H+Na"	20.974666
"475986"	1758.387766	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M-2H+Na"	20.974666
"859624"	600.112366	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-2H+Na"	20.974666
"1630618"	600.112366	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Na-2H"	20.974666
"104958"	596.118763	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M-H+Cl"	33.962126
"540142"	885.687613	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M-H+Cl"	33.962126
"927459"	306.549913	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-H+Cl"	33.962126
"272218"	1193.244802	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+Cl"	34.969402
"663545"	1772.382502	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+Cl"	34.969402
"1274124"	614.107102	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Cl"	34.969402
"18501"	1195.224006	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M-2H+K"	36.948606
"456645"	1774.361706	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M-2H+K"	36.948606
"843522"	616.086306	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-2H+K"	36.948606
"1562642"	616.086306	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+K-2H"	36.948606
"943962"	624.135894	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-H+HCOOH"	44.998194
"365821"	1203.273601	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+HCOOH-H"	44.998201
"347518"	1217.289251	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+Hac-H"	59.013851
"1495255"	638.151551	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Hac-H"	59.013851
"962435"	646.117851	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-H+NaCOOH"	66.980151
"112432"	614.107102	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+2Cl"	69.938804
"557466"	903.675952	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+2Cl"	69.938804
"1027360"	324.538252	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2Cl"	69.938804
"1248033"	658.056585	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Br"	78.918885
"1309388"	660.112572	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Cl+HCOOH"	80.974872
"1326880"	682.094529	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Cl+NaCOOH"	102.956829
"917942"	692.123286	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M-H+CF3COOH"	112.985586
"1291368"	728.099964	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Cl+CF3COOH"	148.962264
"1372817"	544.125024	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H-2H2O"	-35.012676
"1386302"	562.135	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H-H2O"	-17.0027
"287083"	1159.282676	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+H"	1.007276
"680234"	1738.420376	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+H"	1.007276
"1351509"	580.144976	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H"	1.007276
"127646"	580.144976	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+2H"	2.014552
"566233"	869.713826	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+2H"	2.014552
"1038430"	290.576126	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2H"	2.014552
"206091"	387.099076	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+3H"	3.021828
"644797"	580.144976	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+3H"	3.021828
"1165234"	194.053176	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+3H"	3.021828
"425707"	1176.309223	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+NH4"	18.033823
"789876"	1755.446923	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+NH4"	18.033823
"1685111"	597.171523	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+NH4"	18.033823
"332658"	588.6582495	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+H+NH4"	19.041099
"725809"	878.2270995	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+H+NH4"	19.041099
"1479631"	299.0893995	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H+NH4"	19.041099
"395031"	1181.264618	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+Na"	22.989218
"761504"	1760.402318	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+Na"	22.989218
"1617385"	602.126918	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Na"	22.989218
"327299"	591.135947	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+H+Na"	23.996494
"719718"	880.704797	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+H+Na"	23.996494
"1473179"	301.567097	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H+Na"	23.996494
"1065695"	201.38049	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2H+Na"	25.00377
"1268465"	612.171186	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+CH3OH+H"	33.033486
"389231"	1197.238558	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+K"	38.963158
"748038"	1776.376258	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+K"	38.963158
"1548998"	618.100858	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+K"	38.963158
"309455"	599.122917	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+H+K"	39.970434
"699690"	888.691767	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+H+K"	39.970434
"1450229"	309.554067	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H+K"	39.970434
"238829"	1200.309226	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+ACN+H"	42.033826
"1212389"	621.171526	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+ACN+H"	42.033826
"1197971"	311.089401	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+ACN+2H"	43.041102
"192670"	1203.24656	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+2Na-H"	44.97116
"630039"	1782.38426	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+2Na-H"	44.97116
"1134640"	624.10886	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2Na-H"	44.97116
"175379"	602.126918	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+2Na"	45.978436
"622233"	891.695768	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+2Na"	45.978436
"1118078"	312.558068	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2Na"	45.978436
"1400145"	208.707804	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H+2Na"	46.985712
"1434451"	626.150446	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H+HCOOH"	47.012746
"225240"	607.15994	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+3H2O+2H"	56.04448
"1511480"	640.20249	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+IsoProp+H"	61.06479
"410072"	610.113888	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+Na+K"	61.952376
"771431"	899.682738	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+Na+K"	61.952376
"1670323"	320.545038	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Na+K"	61.952376
"262312"	1222.291168	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+ACN+Na"	64.015768
"1232468"	643.153468	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+ACN+Na"	64.015768
"1723912"	643.176993	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+NH4+HCOOH"	64.039293
"1190358"	216.035118	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+3Na"	68.967654
"1664261"	648.132388	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Na+HCOOH"	68.994688
"166019"	1235.19444	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+2K-H"	76.91904
"611656"	1814.33214	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+2K-H"	76.91904
"1098840"	656.05674	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2K-H"	76.91904
"150189"	618.100858	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"2M+2K"	77.926316
"587564"	907.669708	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"3M+2K"	77.926316
"1073169"	328.532008	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2K"	77.926316
"1106380"	658.071292	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2K+H"	78.933592
"1346044"	658.158907	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+DMSO+H"	79.021207
"1013480"	662.198076	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2ACN+H"	83.060376
"1531603"	663.191708	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+IsoProp+Na+H"	84.054008
"991858"	331.602676	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+2ACN+2H"	84.067652
"1590371"	664.106328	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+K+HCOOH"	84.968628
"1420407"	694.137838	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+H+CF3COOH"	115.000138
"1149603"	352.115951	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+3ACN+2H"	125.094202
"1703529"	711.164385	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+NH4+CF3COOH"	132.026685
"1640273"	716.11978	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+Na+CF3COOH"	136.98208
"1578112"	732.09372	"C06781"	"7-Methoxypradimicinone II"	"C29H25NO12"	"579.1377"	"M+K+CF3COOH"	152.95602
"815530"	856.2538	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M"	0
"986389"	837.23541	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-H2O-H"	-19.01839
"76699"	569.828590666667	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M-3H"	-3.021828
"513097"	855.246524	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M-3H"	-3.021828
"883242"	284.410657333333	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-3H"	-3.021828
"4004"	855.246524	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M-2H"	-2.014552
"454627"	1283.373424	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M-2H"	-2.014552
"830973"	427.119624	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-2H"	-2.014552
"92175"	1711.500324	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M-H"	-1.007276
"526388"	2567.754124	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M-H"	-1.007276
"902004"	855.246524	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-H"	-1.007276
"55284"	1728.526871	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M-2H+NH4"	16.019271
"493750"	2584.780671	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M-2H+NH4"	16.019271
"869729"	872.273071	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-2H+NH4"	16.019271
"33615"	1733.482266	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M-2H+Na"	20.974666
"475731"	2589.736066	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M-2H+Na"	20.974666
"860098"	877.228466	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-2H+Na"	20.974666
"1632913"	877.228466	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Na-2H"	20.974666
"106161"	873.234863	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M-H+Cl"	33.962126
"541345"	1301.361763	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M-H+Cl"	33.962126
"928661"	445.107963	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-H+Cl"	33.962126
"275608"	1747.477002	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+Cl"	34.969402
"666935"	2603.730802	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+Cl"	34.969402
"1274964"	891.223202	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Cl"	34.969402
"18611"	1749.456206	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M-2H+K"	36.948606
"456593"	2605.710006	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M-2H+K"	36.948606
"838165"	893.202406	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-2H+K"	36.948606
"1562752"	893.202406	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+K-2H"	36.948606
"944072"	901.251994	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-H+HCOOH"	44.998194
"365567"	1757.505801	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+HCOOH-H"	44.998201
"348721"	1771.521451	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+Hac-H"	59.013851
"1495000"	915.267651	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Hac-H"	59.013851
"962909"	923.233951	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-H+NaCOOH"	66.980151
"111325"	891.223202	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+2Cl"	69.938804
"557576"	1319.350102	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+2Cl"	69.938804
"1028563"	463.096302	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2Cl"	69.938804
"1245956"	935.172685	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Br"	78.918885
"1312777"	937.228672	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Cl+HCOOH"	80.974872
"1326990"	959.210629	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Cl+NaCOOH"	102.956829
"919145"	969.239386	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M-H+CF3COOH"	112.985586
"1291478"	1005.216064	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Cl+CF3COOH"	148.962264
"1371834"	821.241124	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H-2H2O"	-35.012676
"1388234"	839.2511	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H-H2O"	-17.0027
"287922"	1713.514876	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+H"	1.007276
"680344"	2569.768676	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+H"	1.007276
"1352435"	857.261076	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H"	1.007276
"127147"	857.261076	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+2H"	2.014552
"567072"	1285.387976	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+2H"	2.014552
"1039027"	429.134176	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2H"	2.014552
"206564"	571.843142666667	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+3H"	3.021828
"646487"	857.261076	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+3H"	3.021828
"1164974"	286.425209333333	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+3H"	3.021828
"427518"	1730.541423	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+NH4"	18.033823
"788889"	2586.795223	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+NH4"	18.033823
"1684851"	874.287623	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+NH4"	18.033823
"334217"	865.7743495	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+H+NH4"	19.041099
"726274"	1293.9012495	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+H+NH4"	19.041099
"1480834"	437.6474495	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H+NH4"	19.041099
"396234"	1735.496818	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+Na"	22.989218
"762707"	2591.750618	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+Na"	22.989218
"1617249"	879.243018	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Na"	22.989218
"324853"	868.252047	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+H+Na"	23.996494
"721287"	1296.378947	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+H+Na"	23.996494
"1469278"	440.125147	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H+Na"	23.996494
"1063618"	293.752523333333	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2H+Na"	25.00377
"1267482"	889.287286	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+CH3OH+H"	33.033486
"387155"	1751.470758	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+K"	38.963158
"748148"	2607.724558	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+K"	38.963158
"1549109"	895.216958	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+K"	38.963158
"309203"	876.239017	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+H+K"	39.970434
"701988"	1304.365917	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+H+K"	39.970434
"1449246"	448.112117	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H+K"	39.970434
"239669"	1754.541426	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+ACN+H"	42.033826
"1212376"	898.287626	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+ACN+H"	42.033826
"1197718"	449.647451	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+ACN+2H"	43.041102
"194966"	1757.47876	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+2Na-H"	44.97116
"630514"	2613.73256	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+2Na-H"	44.97116
"1132440"	901.22496	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2Na-H"	44.97116
"174394"	879.243018	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+2Na"	45.978436
"616506"	1307.369918	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+2Na"	45.978436
"1117455"	451.116118	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2Na"	45.978436
"1401348"	301.079837333333	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H+2Na"	46.985712
"1430912"	903.266546	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H+HCOOH"	47.012746
"222430"	884.27604	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+3H2O+2H"	56.04448
"1509400"	917.31859	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+IsoProp+H"	61.06479
"409452"	887.229988	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+Na+K"	61.952376
"770689"	1315.356888	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+Na+K"	61.952376
"1670433"	459.103088	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Na+K"	61.952376
"255131"	1776.523368	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+ACN+Na"	64.015768
"1230026"	920.269568	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+ACN+Na"	64.015768
"1718545"	920.293093	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+NH4+HCOOH"	64.039293
"1187188"	308.407151333333	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+3Na"	68.967654
"1654893"	925.248488	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Na+HCOOH"	68.994688
"163942"	1789.42664	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+2K-H"	76.91904
"610064"	2645.68044	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+2K-H"	76.91904
"1096763"	933.17284	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2K-H"	76.91904
"149206"	895.216958	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"2M+2K"	77.926316
"593141"	1323.343858	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"3M+2K"	77.926316
"1070365"	467.090058	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2K"	77.926316
"1104303"	935.187392	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2K+H"	78.933592
"1345061"	935.275007	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+DMSO+H"	79.021207
"1013590"	939.314176	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2ACN+H"	83.060376
"1530620"	940.307808	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+IsoProp+Na+H"	84.054008
"992697"	470.160726	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+2ACN+2H"	84.067652
"1589752"	941.222428	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+K+HCOOH"	84.968628
"1420517"	971.253938	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+H+CF3COOH"	115.000138
"1150806"	490.674001	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+3ACN+2H"	125.094202
"1702546"	988.280485	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+NH4+CF3COOH"	132.026685
"1640383"	993.23588	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+Na+CF3COOH"	136.98208
"1578222"	1009.20982	"C06782"	"7-Hydroxylpradimicin A"	"C40H44N2O19"	"856.2538"	"M+K+CF3COOH"	152.95602
"816818"	708.2167	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M"	0
"988687"	689.19831	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-H2O-H"	-19.01839
"77660"	471.137190666667	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M-3H"	-3.021828
"513206"	707.209424	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M-3H"	-3.021828
"886632"	235.064957333333	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-3H"	-3.021828
"7394"	707.209424	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M-2H"	-2.014552
"455386"	1061.317774	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M-2H"	-2.014552
"832417"	353.101074	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-2H"	-2.014552
"91312"	1415.426124	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M-H"	-1.007276
"527592"	2123.642824	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M-H"	-1.007276
"903207"	707.209424	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-H"	-1.007276
"53207"	1432.452671	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M-2H+NH4"	16.019271
"493860"	2140.669371	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M-2H+NH4"	16.019271
"869839"	724.235971	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-2H+NH4"	16.019271
"32997"	1437.408066	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M-2H+Na"	20.974666
"472797"	2145.624766	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M-2H+Na"	20.974666
"856928"	729.191366	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-2H+Na"	20.974666
"1634042"	729.191366	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Na-2H"	20.974666
"104084"	725.197763	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M-H+Cl"	33.962126
"539268"	1079.306113	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M-H+Cl"	33.962126
"927799"	371.089413	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-H+Cl"	33.962126
"275718"	1451.402802	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+Cl"	34.969402
"664858"	2159.619502	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+Cl"	34.969402
"1274465"	743.186102	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Cl"	34.969402
"18721"	1453.382006	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M-2H+K"	36.948606
"456095"	2161.598706	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M-2H+K"	36.948606
"836088"	745.165306	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-2H+K"	36.948606
"1562862"	745.165306	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+K-2H"	36.948606
"945275"	753.214894	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-H+HCOOH"	44.998194
"364217"	1461.431601	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+HCOOH-H"	44.998201
"349195"	1475.447251	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+Hac-H"	59.013851
"1494746"	767.230551	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Hac-H"	59.013851
"962655"	775.196851	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-H+NaCOOH"	66.980151
"111193"	743.186102	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+2Cl"	69.938804
"558779"	1097.294452	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+2Cl"	69.938804
"1028673"	389.077752	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2Cl"	69.938804
"1249346"	787.135585	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Br"	78.918885
"1311794"	789.191572	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Cl+HCOOH"	80.974872
"1327100"	811.173529	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Cl+NaCOOH"	102.956829
"919255"	821.202286	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M-H+CF3COOH"	112.985586
"1291588"	857.178964	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Cl+CF3COOH"	148.962264
"1371944"	673.204024	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H-2H2O"	-35.012676
"1386522"	691.214	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H-H2O"	-17.0027
"287303"	1417.440676	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+H"	1.007276
"680454"	2125.657376	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+H"	1.007276
"1351338"	709.223976	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H"	1.007276
"128959"	709.223976	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+2H"	2.014552
"567061"	1063.332326	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+2H"	2.014552
"1038772"	355.115626	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2H"	2.014552
"205698"	473.151742666667	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+3H"	3.021828
"646960"	709.223976	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+3H"	3.021828
"1166907"	237.079509333333	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+3H"	3.021828
"426534"	1434.467223	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+NH4"	18.033823
"788625"	2142.683923	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+NH4"	18.033823
"1685686"	726.250523	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+NH4"	18.033823
"333233"	717.7372495	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+H+NH4"	19.041099
"725655"	1071.8455995	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+H+NH4"	19.041099
"1478392"	363.6288995	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H+NH4"	19.041099
"393101"	1439.422618	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+Na"	22.989218
"761724"	2147.639318	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+Na"	22.989218
"1618207"	731.205918	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Na"	22.989218
"325327"	720.214947	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+H+Na"	23.996494
"722494"	1074.323297	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+H+Na"	23.996494
"1475586"	366.106597	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H+Na"	23.996494
"1068313"	244.406823333333	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2H+Na"	25.00377
"1266499"	741.250186	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+CH3OH+H"	33.033486
"392248"	1455.396558	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+K"	38.963158
"753732"	2163.613258	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+K"	38.963158
"1554935"	747.179858	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+K"	38.963158
"313687"	728.201917	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+H+K"	39.970434
"706434"	1082.310267	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+H+K"	39.970434
"1457013"	374.093567	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H+K"	39.970434
"242333"	1458.467226	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+ACN+H"	42.033826
"1213949"	750.250526	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+ACN+H"	42.033826
"1198924"	375.628901	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+ACN+2H"	43.041102
"196169"	1461.40456	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+2Na-H"	44.97116
"632085"	2169.62126	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+2Na-H"	44.97116
"1134131"	753.18786	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2Na-H"	44.97116
"175236"	731.205918	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+2Na"	45.978436
"616621"	1085.314268	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+2Na"	45.978436
"1119028"	377.097568	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2Na"	45.978436
"1400243"	251.734137333333	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H+2Na"	46.985712
"1430899"	755.229446	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H+HCOOH"	47.012746
"220838"	736.23894	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+3H2O+2H"	56.04448
"1509265"	769.28149	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+IsoProp+H"	61.06479
"409924"	739.192888	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+Na+K"	61.952376
"770150"	1093.301238	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+Na+K"	61.952376
"1670543"	385.084538	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Na+K"	61.952376
"257064"	1480.449168	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+ACN+Na"	64.015768
"1230136"	772.232468	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+ACN+Na"	64.015768
"1716469"	772.255993	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+NH4+HCOOH"	64.039293
"1187298"	259.061451333333	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+3Na"	68.967654
"1656097"	777.211388	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Na+HCOOH"	68.994688
"168426"	1493.35244	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+2K-H"	76.91904
"609080"	2201.56914	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+2K-H"	76.91904
"1099757"	785.13574	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2K-H"	76.91904
"149316"	747.179858	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"2M+2K"	77.926316
"593251"	1101.288208	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"3M+2K"	77.926316
"1070475"	393.071508	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2K"	77.926316
"1105507"	787.150292	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2K+H"	78.933592
"1345171"	787.237907	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+DMSO+H"	79.021207
"1012607"	791.277076	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2ACN+H"	83.060376
"1530731"	792.270708	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+IsoProp+Na+H"	84.054008
"992806"	396.142176	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+2ACN+2H"	84.067652
"1590225"	793.185328	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+K+HCOOH"	84.968628
"1417347"	823.216838	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+H+CF3COOH"	115.000138
"1152010"	416.655451	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+3ACN+2H"	125.094202
"1702656"	840.243385	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+NH4+CF3COOH"	132.026685
"1640493"	845.19878	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+Na+CF3COOH"	136.98208
"1578332"	861.17272	"C06783"	"Pradimicin B"	"C35H36N2O14"	"708.2167"	"M+K+CF3COOH"	152.95602
"815992"	840.2589	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M"	0
"988310"	821.24051	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-H2O-H"	-19.01839
"76677"	559.165324	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M-3H"	-3.021828
"513316"	839.251624	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M-3H"	-3.021828
"883462"	279.079024	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-3H"	-3.021828
"4224"	839.251624	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M-2H"	-2.014552
"453997"	1259.381074	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M-2H"	-2.014552
"831072"	419.122174	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-2H"	-2.014552
"92518"	1679.510524	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M-H"	-1.007276
"528796"	2519.769424	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M-H"	-1.007276
"903317"	839.251624	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-H"	-1.007276
"54411"	1696.537071	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M-2H+NH4"	16.019271
"492876"	2536.795971	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M-2H+NH4"	16.019271
"869585"	856.278171	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-2H+NH4"	16.019271
"32131"	1701.492466	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M-2H+Na"	20.974666
"471932"	2541.751366	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M-2H+Na"	20.974666
"857038"	861.233566	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-2H+Na"	20.974666
"1632040"	861.233566	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Na-2H"	20.974666
"107474"	857.239963	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M-H+Cl"	33.962126
"539378"	1277.369413	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M-H+Cl"	33.962126
"927504"	437.110513	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-H+Cl"	33.962126
"270725"	1715.487202	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+Cl"	34.969402
"664968"	2555.746102	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+Cl"	34.969402
"1274332"	875.228302	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Cl"	34.969402
"18831"	1717.466406	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M-2H+K"	36.948606
"456119"	2557.725306	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M-2H+K"	36.948606
"833645"	877.207506	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-2H+K"	36.948606
"1561879"	877.207506	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+K-2H"	36.948606
"946479"	885.257094	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-H+HCOOH"	44.998194
"363598"	1725.516001	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+HCOOH-H"	44.998201
"346385"	1739.531651	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+Hac-H"	59.013851
"1494491"	899.272751	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Hac-H"	59.013851
"961668"	907.239051	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-H+NaCOOH"	66.980151
"113125"	875.228302	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+2Cl"	69.938804
"558889"	1295.357752	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+2Cl"	69.938804
"1028783"	455.098852	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2Cl"	69.938804
"1250550"	919.177785	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Br"	78.918885
"1310810"	921.233772	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Cl+HCOOH"	80.974872
"1323930"	943.215729	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Cl+NaCOOH"	102.956829
"919366"	953.244486	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M-H+CF3COOH"	112.985586
"1292792"	989.221164	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Cl+CF3COOH"	148.962264
"1372054"	805.246224	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H-2H2O"	-35.012676
"1385537"	823.2562	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H-H2O"	-17.0027
"289236"	1681.525076	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+H"	1.007276
"678740"	2521.783976	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+H"	1.007276
"1352291"	841.266176	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H"	1.007276
"127977"	841.266176	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+2H"	2.014552
"566928"	1261.395626	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+2H"	2.014552
"1038881"	421.136726	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2H"	2.014552
"205687"	561.179876	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+3H"	3.021828
"648163"	841.266176	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+3H"	3.021828
"1167016"	281.093576	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+3H"	3.021828
"427008"	1698.551623	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+NH4"	18.033823
"787642"	2538.810523	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+NH4"	18.033823
"1684338"	858.292723	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+NH4"	18.033823
"332250"	849.7794495	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+H+NH4"	19.041099
"727588"	1269.9088995	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+H+NH4"	19.041099
"1479954"	429.6499995	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H+NH4"	19.041099
"393897"	1703.507018	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+Na"	22.989218
"759643"	2543.765918	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+Na"	22.989218
"1609930"	863.248118	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Na"	22.989218
"324343"	852.257147	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+H+Na"	23.996494
"722279"	1272.386597	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+H+Na"	23.996494
"1475696"	432.127697	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H+Na"	23.996494
"1068472"	288.42089	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2H+Na"	25.00377
"1267702"	873.292386	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+CH3OH+H"	33.033486
"391750"	1719.480958	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+K"	38.963158
"753801"	2559.739858	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+K"	38.963158
"1553705"	879.222058	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+K"	38.963158
"312704"	860.244117	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+H+K"	39.970434
"706183"	1280.373567	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+H+K"	39.970434
"1452747"	440.114667	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H+K"	39.970434
"242445"	1722.551626	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+ACN+H"	42.033826
"1214057"	882.292726	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+ACN+H"	42.033826
"1197941"	441.650001	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+ACN+2H"	43.041102
"196279"	1725.48896	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+2Na-H"	44.97116
"633654"	2565.74786	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+2Na-H"	44.97116
"1133880"	885.23006	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2Na-H"	44.97116
"174132"	863.248118	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+2Na"	45.978436
"616731"	1283.377568	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+2Na"	45.978436
"1119140"	443.118668	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2Na"	45.978436
"1398503"	295.748204	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H+2Na"	46.985712
"1431866"	887.271646	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H+HCOOH"	47.012746
"220706"	868.28114	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+3H2O+2H"	56.04448
"1508894"	901.32369	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+IsoProp+H"	61.06479
"409305"	871.235088	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+Na+K"	61.952376
"772119"	1291.364538	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+Na+K"	61.952376
"1670653"	451.105638	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Na+K"	61.952376
"254257"	1744.533568	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+ACN+Na"	64.015768
"1229152"	904.274668	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+ACN+Na"	64.015768
"1715485"	904.298193	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+NH4+HCOOH"	64.039293
"1179749"	303.075518	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+3Na"	68.967654
"1658394"	909.253588	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Na+HCOOH"	68.994688
"163069"	1757.43684	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+2K-H"	76.91904
"609190"	2597.69574	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+2K-H"	76.91904
"1089328"	917.17794	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2K-H"	76.91904
"155988"	879.222058	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"2M+2K"	77.926316
"592268"	1299.351508	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"3M+2K"	77.926316
"1070221"	459.092608	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2K"	77.926316
"1105617"	919.192492	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2K+H"	78.933592
"1344188"	919.280107	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+DMSO+H"	79.021207
"1017092"	923.319276	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2ACN+H"	83.060376
"1530840"	924.312908	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+IsoProp+Na+H"	84.054008
"994008"	462.163276	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+2ACN+2H"	84.067652
"1590700"	925.227528	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+K+HCOOH"	84.968628
"1417087"	955.259038	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+H+CF3COOH"	115.000138
"1148110"	482.676551	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+3ACN+2H"	125.094202
"1701671"	972.285585	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+NH4+CF3COOH"	132.026685
"1638416"	977.24098	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+Na+CF3COOH"	136.98208
"1578442"	993.21492	"C06784"	"Pradimicin A"	"C40H44N2O18"	"840.2589"	"M+K+CF3COOH"	152.95602
"815373"	694.201	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M"	0
"984532"	675.18261	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-H2O-H"	-19.01839
"73866"	461.793390666667	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M-3H"	-3.021828
"510146"	693.193724	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M-3H"	-3.021828
"887947"	230.393057333333	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-3H"	-3.021828
"2148"	693.193724	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M-2H"	-2.014552
"453377"	1040.294224	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M-2H"	-2.014552
"829360"	346.093224	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-2H"	-2.014552
"92628"	1387.394724	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M-H"	-1.007276
"526720"	2081.595724	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M-H"	-1.007276
"903427"	693.193724	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-H"	-1.007276
"54521"	1404.421271	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M-2H+NH4"	16.019271
"494080"	2098.622271	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M-2H+NH4"	16.019271
"866411"	710.220271	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-2H+NH4"	16.019271
"33944"	1409.376666	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M-2H+Na"	20.974666
"472406"	2103.577666	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M-2H+Na"	20.974666
"857148"	715.175666	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-2H+Na"	20.974666
"1627775"	715.175666	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Na-2H"	20.974666
"108193"	711.182063	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M-H+Cl"	33.962126
"538396"	1058.282563	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M-H+Cl"	33.962126
"928628"	364.081563	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-H+Cl"	33.962126
"275938"	1423.371402	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+Cl"	34.969402
"665078"	2117.572402	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+Cl"	34.969402
"1278574"	729.170402	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Cl"	34.969402
"16389"	1425.350606	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M-2H+K"	36.948606
"455783"	2119.551606	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M-2H+K"	36.948606
"834849"	731.149606	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-2H+K"	36.948606
"1561989"	731.149606	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+K-2H"	36.948606
"946589"	739.199194	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-H+HCOOH"	44.998194
"364436"	1433.400201	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+HCOOH-H"	44.998201
"345886"	1447.415851	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+Hac-H"	59.013851
"1494965"	753.214851	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Hac-H"	59.013851
"960318"	761.181151	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-H+NaCOOH"	66.980151
"110802"	729.170402	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+2Cl"	69.938804
"560092"	1076.270902	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+2Cl"	69.938804
"1029983"	382.069902	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2Cl"	69.938804
"1251753"	773.119885	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Br"	78.918885
"1310920"	775.175872	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Cl+HCOOH"	80.974872
"1322217"	797.157829	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Cl+NaCOOH"	102.956829
"919476"	807.186586	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M-H+CF3COOH"	112.985586
"1291079"	843.163264	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Cl+CF3COOH"	148.962264
"1372164"	659.188324	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H-2H2O"	-35.012676
"1387105"	677.1983	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H-H2O"	-17.0027
"286066"	1389.409276	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+H"	1.007276
"678850"	2083.610276	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+H"	1.007276
"1351833"	695.208276	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H"	1.007276
"128087"	695.208276	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+2H"	2.014552
"566917"	1042.308776	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+2H"	2.014552
"1040085"	348.107776	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2H"	2.014552
"206890"	463.807942666667	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+3H"	3.021828
"648273"	695.208276	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+3H"	3.021828
"1166397"	232.407609333333	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+3H"	3.021828
"425780"	1406.435823	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+NH4"	18.033823
"787022"	2100.636823	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+NH4"	18.033823
"1683717"	712.234823	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+NH4"	18.033823
"332361"	703.7215495	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+H+NH4"	19.041099
"726969"	1050.8220495	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+H+NH4"	19.041099
"1480793"	356.6210495	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H+NH4"	19.041099
"394732"	1411.391218	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+Na"	22.989218
"756473"	2105.592218	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+Na"	22.989218
"1605668"	717.190218	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Na"	22.989218
"321173"	706.199247	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+H+Na"	23.996494
"717971"	1053.299747	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+H+Na"	23.996494
"1474349"	359.098747	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H+Na"	23.996494
"1068459"	239.734923333333	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2H+Na"	25.00377
"1267448"	727.234486	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+CH3OH+H"	33.033486
"392224"	1427.365158	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+K"	38.963158
"753585"	2121.566158	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+K"	38.963158
"1551629"	733.164158	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+K"	38.963158
"310991"	714.186217	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+H+K"	39.970434
"705966"	1061.286717	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+H+K"	39.970434
"1456140"	367.085717	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H+K"	39.970434
"243647"	1430.435826	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+ACN+H"	42.033826
"1210889"	736.234826	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+ACN+H"	42.033826
"1198050"	368.621051	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+ACN+2H"	43.041102
"194202"	1433.37316	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+2Na-H"	44.97116
"635951"	2127.57416	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+2Na-H"	44.97116
"1137270"	739.17216	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2Na-H"	44.97116
"179467"	717.190218	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+2Na"	45.978436
"617934"	1064.290718	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+2Na"	45.978436
"1118157"	370.089718	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2Na"	45.978436
"1402777"	247.062237333333	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H+2Na"	46.985712
"1430315"	741.213746	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H+HCOOH"	47.012746
"220817"	722.22324	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+3H2O+2H"	56.04448
"1511922"	755.26579	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+IsoProp+H"	61.06479
"409054"	725.177188	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+Na+K"	61.952376
"772596"	1072.277688	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+Na+K"	61.952376
"1670034"	378.076688	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Na+K"	61.952376
"255461"	1452.417768	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+ACN+Na"	64.015768
"1230356"	758.216768	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+ACN+Na"	64.015768
"1715960"	758.240293	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+NH4+HCOOH"	64.039293
"1185328"	254.389551333333	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+3Na"	68.967654
"1658504"	763.195688	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Na+HCOOH"	68.994688
"171562"	1465.32104	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+2K-H"	76.91904
"603832"	2159.52204	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+2K-H"	76.91904
"1098186"	771.12004	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2K-H"	76.91904
"155978"	733.164158	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"2M+2K"	77.926316
"591285"	1080.264658	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"3M+2K"	77.926316
"1080171"	386.063658	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2K"	77.926316
"1105727"	773.134592	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2K+H"	78.933592
"1339924"	773.222207	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+DMSO+H"	79.021207
"1010642"	777.261376	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2ACN+H"	83.060376
"1529857"	778.255008	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+IsoProp+Na+H"	84.054008
"993025"	389.134326	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+2ACN+2H"	84.067652
"1588624"	779.169628	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+K+HCOOH"	84.968628
"1415015"	809.201138	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+H+CF3COOH"	115.000138
"1148949"	409.647601	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+3ACN+2H"	125.094202
"1700689"	826.227685	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+NH4+CF3COOH"	132.026685
"1635245"	831.18308	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+Na+CF3COOH"	136.98208
"1578552"	847.15702	"C06785"	"Dexylosylpradimicin C"	"C34H34N2O14"	"694.201"	"M+K+CF3COOH"	152.95602
"815120"	826.2433	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M"	0
"986464"	807.22491	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-H2O-H"	-19.01839
"73976"	549.821590666667	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M-3H"	-3.021828
"510256"	825.236024	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M-3H"	-3.021828
"888057"	274.407157333333	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-3H"	-3.021828
"6631"	825.236024	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M-2H"	-2.014552
"452759"	1238.357674	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M-2H"	-2.014552
"829833"	412.114374	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-2H"	-2.014552
"91285"	1651.479324	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M-H"	-1.007276
"531936"	2477.722624	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M-H"	-1.007276
"904631"	825.236024	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-H"	-1.007276
"55724"	1668.505871	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M-2H+NH4"	16.019271
"494190"	2494.749171	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M-2H+NH4"	16.019271
"866521"	842.262571	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-2H+NH4"	16.019271
"33326"	1673.461266	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M-2H+Na"	20.974666
"473125"	2499.704566	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M-2H+Na"	20.974666
"857258"	847.217966	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-2H+Na"	20.974666
"1627885"	847.217966	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Na-2H"	20.974666
"106237"	843.224363	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M-H+Cl"	33.962126
"538506"	1256.346013	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M-H+Cl"	33.962126
"927887"	430.102713	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-H+Cl"	33.962126
"279328"	1687.456002	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+Cl"	34.969402
"665188"	2513.699302	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+Cl"	34.969402
"1278684"	861.212702	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Cl"	34.969402
"17105"	1689.435206	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M-2H+K"	36.948606
"456018"	2515.678506	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M-2H+K"	36.948606
"834231"	863.191906	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-2H+K"	36.948606
"1561005"	863.191906	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+K-2H"	36.948606
"944510"	871.241494	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-H+HCOOH"	44.998194
"362966"	1697.484801	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+HCOOH-H"	44.998201
"346360"	1711.500451	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+Hac-H"	59.013851
"1493613"	885.257151	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Hac-H"	59.013851
"959701"	893.223451	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-H+NaCOOH"	66.980151
"111275"	861.212702	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+2Cl"	69.938804
"556922"	1274.334352	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+2Cl"	69.938804
"1027906"	448.091052	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2Cl"	69.938804
"1252956"	905.162185	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Br"	78.918885
"1311029"	907.218172	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Cl+HCOOH"	80.974872
"1321963"	929.200129	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Cl+NaCOOH"	102.956829
"918492"	939.228886	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M-H+CF3COOH"	112.985586
"1290094"	975.205564	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Cl+CF3COOH"	148.962264
"1374458"	791.230624	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H-2H2O"	-35.012676
"1385394"	809.2406	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H-H2O"	-17.0027
"287269"	1653.493876	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+H"	1.007276
"678596"	2479.737176	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+H"	1.007276
"1353120"	827.250576	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H"	1.007276
"127832"	827.250576	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+2H"	2.014552
"566783"	1240.372226	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+2H"	2.014552
"1038010"	414.128926	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2H"	2.014552
"205542"	551.836142666667	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+3H"	3.021828
"645831"	827.250576	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+3H"	3.021828
"1164685"	276.421709333333	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+3H"	3.021828
"424349"	1670.520423	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+NH4"	18.033823
"786525"	2496.763723	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+NH4"	18.033823
"1683099"	844.277123	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+NH4"	18.033823
"332471"	835.7638495	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+H+NH4"	19.041099
"724894"	1248.8854995	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+H+NH4"	19.041099
"1480903"	422.6421995	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H+NH4"	19.041099
"394842"	1675.475818	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+Na"	22.989218
"760955"	2501.719118	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+Na"	22.989218
"1606870"	849.232518	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Na"	22.989218
"319096"	838.241547	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+H+Na"	23.996494
"718079"	1251.363197	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+H+Na"	23.996494
"1475552"	425.119897	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H+Na"	23.996494
"1067587"	283.749023333333	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2H+Na"	25.00377
"1270839"	859.276786	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+CH3OH+H"	33.033486
"391973"	1691.449758	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+K"	38.963158
"752602"	2517.693058	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+K"	38.963158
"1552469"	865.206458	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+K"	38.963158
"309644"	846.228517	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+H+K"	39.970434
"705594"	1259.350167	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+H+K"	39.970434
"1455886"	433.106867	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H+K"	39.970434
"247038"	1694.520426	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+ACN+H"	42.033826
"1215373"	868.277126	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+ACN+H"	42.033826
"1201442"	434.642201	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+ACN+2H"	43.041102
"196499"	1697.45776	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+2Na-H"	44.97116
"636061"	2523.70106	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+2Na-H"	44.97116
"1141754"	871.21446	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2Na-H"	44.97116
"181764"	849.232518	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+2Na"	45.978436
"618045"	1262.354168	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+2Na"	45.978436
"1121547"	436.110868	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2Na"	45.978436
"1406165"	291.076337333333	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H+2Na"	46.985712
"1431722"	873.256046	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H+HCOOH"	47.012746
"220072"	854.26554	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+3H2O+2H"	56.04448
"1511667"	887.30809	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+IsoProp+H"	61.06479
"409160"	857.219488	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+Na+K"	61.952376
"772707"	1270.341138	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+Na+K"	61.952376
"1670144"	444.097838	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Na+K"	61.952376
"257394"	1716.502368	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+ACN+Na"	64.015768
"1230466"	890.259068	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+ACN+Na"	64.015768
"1715706"	890.282593	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+NH4+HCOOH"	64.039293
"1184346"	298.403651333333	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+3Na"	68.967654
"1660801"	895.237988	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Na+HCOOH"	68.994688
"168756"	1729.40564	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+2K-H"	76.91904
"603942"	2555.64894	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+2K-H"	76.91904
"1097203"	903.16234	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2K-H"	76.91904
"156575"	865.206458	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"2M+2K"	77.926316
"591395"	1278.328108	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"3M+2K"	77.926316
"1083319"	452.084808	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2K"	77.926316
"1105837"	905.176892	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2K+H"	78.933592
"1340034"	905.264507	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+DMSO+H"	79.021207
"1011845"	909.303676	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2ACN+H"	83.060376
"1531060"	910.297308	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+IsoProp+Na+H"	84.054008
"995321"	455.155476	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+2ACN+2H"	84.067652
"1588736"	911.211928	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+K+HCOOH"	84.968628
"1414518"	941.243438	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+H+CF3COOH"	115.000138
"1147476"	475.668751	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+3ACN+2H"	125.094202
"1700799"	958.269985	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+NH4+CF3COOH"	132.026685
"1635355"	963.22538	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+Na+CF3COOH"	136.98208
"1578662"	979.19932	"C06786"	"Pradimicin C;Benanomicin B"	"C39H42N2O18"	"826.2433"	"M+K+CF3COOH"	152.95602
"816934"	695.185	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M"	0
"986938"	676.16661	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-H2O-H"	-19.01839
"75179"	462.449390666667	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M-3H"	-3.021828
"511459"	694.177724	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M-3H"	-3.021828
"890353"	230.721057333333	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-3H"	-3.021828
"7834"	694.177724	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M-2H"	-2.014552
"453235"	1041.770224	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M-2H"	-2.014552
"830672"	346.585224	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-2H"	-2.014552
"91761"	1389.362724	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M-H"	-1.007276
"532411"	2084.547724	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M-H"	-1.007276
"905834"	694.177724	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-H"	-1.007276
"54741"	1406.389271	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M-2H+NH4"	16.019271
"494300"	2101.574271	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M-2H+NH4"	16.019271
"868815"	711.204271	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-2H+NH4"	16.019271
"35627"	1411.344666	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M-2H+Na"	20.974666
"475912"	2106.529666	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M-2H+Na"	20.974666
"857368"	716.159666	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-2H+Na"	20.974666
"1627995"	716.159666	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Na-2H"	20.974666
"107076"	712.166063	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M-H+Cl"	33.962126
"541896"	1059.758563	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M-H+Cl"	33.962126
"931036"	364.573563	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-H+Cl"	33.962126
"279438"	1425.339402	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+Cl"	34.969402
"669672"	2120.524402	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+Cl"	34.969402
"1279887"	730.154402	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Cl"	34.969402
"16969"	1427.318606	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M-2H+K"	36.948606
"457022"	2122.503606	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M-2H+K"	36.948606
"835798"	732.133606	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-2H+K"	36.948606
"1563300"	732.133606	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+K-2H"	36.948606
"944620"	740.183194	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-H+HCOOH"	44.998194
"363196"	1435.368201	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+HCOOH-H"	44.998201
"347807"	1449.383851	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+Hac-H"	59.013851
"1494818"	754.198851	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Hac-H"	59.013851
"959927"	762.165151	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-H+NaCOOH"	66.980151
"111142"	730.154402	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+2Cl"	69.938804
"557031"	1077.746902	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+2Cl"	69.938804
"1023639"	382.561902	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2Cl"	69.938804
"1250879"	774.103885	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Br"	78.918885
"1311139"	776.159872	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Cl+HCOOH"	80.974872
"1322437"	798.141829	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Cl+NaCOOH"	102.956829
"917509"	808.170586	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M-H+CF3COOH"	112.985586
"1289111"	844.147264	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Cl+CF3COOH"	148.962264
"1373475"	660.172324	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H-2H2O"	-35.012676
"1385868"	678.1823	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H-H2O"	-17.0027
"289566"	1391.377276	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+H"	1.007276
"676514"	2086.562276	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+H"	1.007276
"1352866"	696.192276	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H"	1.007276
"126118"	696.192276	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+2H"	2.014552
"567135"	1043.784776	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+2H"	2.014552
"1038120"	348.599776	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2H"	2.014552
"204561"	464.463942666667	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+3H"	3.021828
"644848"	696.192276	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+3H"	3.021828
"1163013"	232.735609333333	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+3H"	3.021828
"424376"	1408.403823	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+NH4"	18.033823
"785896"	2103.588823	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+NH4"	18.033823
"1682356"	713.218823	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+NH4"	18.033823
"330429"	704.7055495	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+H+NH4"	19.041099
"723783"	1052.2980495	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+H+NH4"	19.041099
"1478821"	357.1130495	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H+NH4"	19.041099
"393376"	1413.359218	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+Na"	22.989218
"759972"	2108.544218	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+Na"	22.989218
"1609166"	718.174218	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Na"	22.989218
"319205"	707.183247	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+H+Na"	23.996494
"717095"	1054.775747	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+H+Na"	23.996494
"1476152"	359.590747	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H+Na"	23.996494
"1067451"	240.062923333333	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2H+Na"	25.00377
"1270950"	728.218486	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+CH3OH+H"	33.033486
"392083"	1429.333158	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+K"	38.963158
"753078"	2124.518158	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+K"	38.963158
"1553551"	734.148158	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+K"	38.963158
"310484"	715.170217	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+H+K"	39.970434
"704363"	1062.762717	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+H+K"	39.970434
"1456360"	367.577717	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H+K"	39.970434
"246053"	1432.403826	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+ACN+H"	42.033826
"1218761"	737.218826	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+ACN+H"	42.033826
"1202645"	369.113051	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+ACN+2H"	43.041102
"196610"	1435.34116	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+2Na-H"	44.97116
"636171"	2130.52616	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+2Na-H"	44.97116
"1141864"	740.15616	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2Na-H"	44.97116
"181875"	718.174218	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+2Na"	45.978436
"621435"	1065.766718	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+2Na"	45.978436
"1122751"	370.581718	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2Na"	45.978436
"1406275"	247.390237333333	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H+2Na"	46.985712
"1435112"	742.197746	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H+HCOOH"	47.012746
"222619"	723.20724	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+3H2O+2H"	56.04448
"1510684"	756.24979	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+IsoProp+H"	61.06479
"409272"	726.161188	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+Na+K"	61.952376
"775732"	1073.753688	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+Na+K"	61.952376
"1670983"	378.568688	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Na+K"	61.952376
"257504"	1454.385768	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+ACN+Na"	64.015768
"1233492"	759.200768	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+ACN+Na"	64.015768
"1719096"	759.224293	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+NH4+HCOOH"	64.039293
"1188828"	254.717551333333	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+3Na"	68.967654
"1663097"	764.179688	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Na+HCOOH"	68.994688
"168866"	1467.28904	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+2K-H"	76.91904
"609517"	2162.47404	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+2K-H"	76.91904
"1096215"	772.10404	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2K-H"	76.91904
"155222"	734.148158	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"2M+2K"	77.926316
"595878"	1081.740658	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"3M+2K"	77.926316
"1083799"	386.555658	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2K"	77.926316
"1103761"	774.118592	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2K+H"	78.933592
"1340145"	774.206207	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+DMSO+H"	79.021207
"1014142"	778.245376	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2ACN+H"	83.060376
"1531171"	779.239008	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+IsoProp+Na+H"	84.054008
"993245"	389.626326	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+2ACN+2H"	84.067652
"1588479"	780.153628	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+K+HCOOH"	84.968628
"1414625"	810.185138	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+H+CF3COOH"	115.000138
"1149169"	410.139601	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+3ACN+2H"	125.094202
"1703096"	827.211685	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+NH4+CF3COOH"	132.026685
"1634533"	832.16708	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+Na+CF3COOH"	136.98208
"1578772"	848.14102	"C06787"	"Dexylosylbenanomicin A"	"C34H33NO15"	"695.185"	"M+K+CF3COOH"	152.95602
"815702"	827.2273	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M"	0
"979393"	808.20891	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-H2O-H"	-19.01839
"76383"	550.477590666667	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M-3H"	-3.021828
"513756"	826.220024	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M-3H"	-3.021828
"891557"	274.735157333333	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-3H"	-3.021828
"9038"	826.220024	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M-2H"	-2.014552
"452854"	1239.833674	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M-2H"	-2.014552
"830784"	412.606374	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-2H"	-2.014552
"91863"	1653.447324	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M-H"	-1.007276
"532401"	2480.674624	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M-H"	-1.007276
"908131"	826.220024	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-H"	-1.007276
"58131"	1670.473871	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M-2H+NH4"	16.019271
"491492"	2497.701171	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M-2H+NH4"	16.019271
"867469"	843.246571	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-2H+NH4"	16.019271
"39017"	1675.429266	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M-2H+Na"	20.974666
"475658"	2502.656566	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M-2H+Na"	20.974666
"857478"	848.201966	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-2H+Na"	20.974666
"1628105"	848.201966	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Na-2H"	20.974666
"107550"	844.208363	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M-H+Cl"	33.962126
"542006"	1257.822013	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M-H+Cl"	33.962126
"932603"	430.594713	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-H+Cl"	33.962126
"279548"	1689.424002	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+Cl"	34.969402
"669781"	2516.651302	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+Cl"	34.969402
"1278904"	862.196702	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Cl"	34.969402
"18173"	1691.403206	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M-2H+K"	36.948606
"457375"	2518.630506	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M-2H+K"	36.948606
"837001"	864.175906	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-2H+K"	36.948606
"1562315"	864.175906	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+K-2H"	36.948606
"948010"	872.225494	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-H+HCOOH"	44.998194
"365129"	1699.452801	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+HCOOH-H"	44.998201
"347917"	1713.468451	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+Hac-H"	59.013851
"1496750"	886.241151	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Hac-H"	59.013851
"960282"	894.207451	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-H+NaCOOH"	66.980151
"111617"	862.196702	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+2Cl"	69.938804
"557138"	1275.810352	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+2Cl"	69.938804
"1024844"	448.583052	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2Cl"	69.938804
"1252082"	906.146185	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Br"	78.918885
"1311249"	908.202172	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Cl+HCOOH"	80.974872
"1324733"	930.184129	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Cl+NaCOOH"	102.956829
"913972"	940.212886	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M-H+CF3COOH"	112.985586
"1289585"	976.189564	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Cl+CF3COOH"	148.962264
"1370302"	792.214624	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H-2H2O"	-35.012676
"1386704"	810.2246	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H-H2O"	-17.0027
"283839"	1655.461876	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+H"	1.007276
"676744"	2482.689176	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+H"	1.007276
"1354066"	828.234576	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H"	1.007276
"128414"	828.234576	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+2H"	2.014552
"567248"	1241.848226	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+2H"	2.014552
"1038593"	414.620926	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2H"	2.014552
"205884"	552.492142666667	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+3H"	3.021828
"646174"	828.234576	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+3H"	3.021828
"1164178"	276.749709333333	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+3H"	3.021828
"426354"	1672.488423	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+NH4"	18.033823
"787715"	2499.715723	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+NH4"	18.033823
"1683320"	845.261123	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+NH4"	18.033823
"331596"	836.7478495	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+H+NH4"	19.041099
"725474"	1250.3614995	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+H+NH4"	19.041099
"1478689"	423.1341995	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H+NH4"	19.041099
"393365"	1677.443818	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+Na"	22.989218
"758985"	2504.671118	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+Na"	22.989218
"1609273"	850.216518	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Na"	22.989218
"320404"	839.225547	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+H+Na"	23.996494
"713922"	1252.839197	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+H+Na"	23.996494
"1471025"	425.611897	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H+Na"	23.996494
"1067961"	284.077023333333	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2H+Na"	25.00377
"1267045"	860.260786	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+CH3OH+H"	33.033486
"386723"	1693.417758	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+K"	38.963158
"749905"	2520.645058	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+K"	38.963158
"1553047"	866.190458	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+K"	38.963158
"312413"	847.212517	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+H+K"	39.970434
"706494"	1260.826167	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+H+K"	39.970434
"1452094"	433.598867	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H+K"	39.970434
"246163"	1696.488426	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+ACN+H"	42.033826
"1214498"	869.261126	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+ACN+H"	42.033826
"1201661"	435.134201	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+ACN+2H"	43.041102
"192344"	1699.42576	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+2Na-H"	44.97116
"631906"	2526.65306	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+2Na-H"	44.97116
"1136505"	872.19846	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2Na-H"	44.97116
"174450"	850.216518	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+2Na"	45.978436
"620450"	1263.830168	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+2Na"	45.978436
"1117390"	436.602868	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2Na"	45.978436
"1403102"	291.404337333333	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H+2Na"	46.985712
"1430964"	874.240046	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H+HCOOH"	47.012746
"222726"	855.24954	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+3H2O+2H"	56.04448
"1511153"	888.29209	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+IsoProp+H"	61.06479
"411202"	858.203488	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+Na+K"	61.952376
"772925"	1271.817138	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+Na+K"	61.952376
"1673280"	444.589838	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Na+K"	61.952376
"258707"	1718.470368	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+ACN+Na"	64.015768
"1232509"	891.243068	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+ACN+Na"	64.015768
"1715925"	891.266593	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+NH4+HCOOH"	64.039293
"1186751"	298.731651333333	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+3Na"	68.967654
"1662113"	896.221988	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Na+HCOOH"	68.994688
"165695"	1731.37364	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+2K-H"	76.91904
"604162"	2558.60094	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+2K-H"	76.91904
"1094140"	904.14634	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2K-H"	76.91904
"152048"	866.190458	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"2M+2K"	77.926316
"591612"	1279.804108	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"3M+2K"	77.926316
"1079406"	452.576808	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2K"	77.926316
"1110429"	906.160892	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2K+H"	78.933592
"1345720"	906.248507	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+DMSO+H"	79.021207
"1019355"	910.287676	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2ACN+H"	83.060376
"1529094"	911.281308	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+IsoProp+Na+H"	84.054008
"995544"	455.647476	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+2ACN+2H"	84.067652
"1590048"	912.195928	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+K+HCOOH"	84.968628
"1416800"	942.227438	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+H+CF3COOH"	115.000138
"1148185"	476.160751	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+3ACN+2H"	125.094202
"1699925"	959.253985	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+NH4+CF3COOH"	132.026685
"1634153"	964.20938	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+Na+CF3COOH"	136.98208
"1578882"	980.18332	"C06788"	"Benanomicin A"	"C39H41NO19"	"827.2273"	"M+K+CF3COOH"	152.95602
"815086"	163.8754	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M"	0
"984970"	144.85701	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-H2O-H"	-19.01839
"74306"	108.242990666667	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M-3H"	-3.021828
"510586"	162.868124	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M-3H"	-3.021828
"888387"	53.6178573333333	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-3H"	-3.021828
"9148"	162.868124	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M-2H"	-2.014552
"450899"	244.805824	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M-2H"	-2.014552
"832350"	80.930424	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-2H"	-2.014552
"91973"	326.743524	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M-H"	-1.007276
"533603"	490.618924	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M-H"	-1.007276
"907148"	162.868124	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-H"	-1.007276
"58241"	343.770071	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M-2H+NH4"	16.019271
"490874"	507.645471	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M-2H+NH4"	16.019271
"866852"	179.894671	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-2H+NH4"	16.019271
"39127"	348.725466	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M-2H+Na"	20.974666
"474676"	512.600866	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M-2H+Na"	20.974666
"857588"	184.850066	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-2H+Na"	20.974666
"1628215"	184.850066	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Na-2H"	20.974666
"101464"	180.856463	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M-H+Cl"	33.962126
"539929"	262.794163	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M-H+Cl"	33.962126
"929796"	98.918763	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-H+Cl"	33.962126
"276378"	362.720202	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+Cl"	34.969402
"667705"	526.595602	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+Cl"	34.969402
"1275734"	198.844802	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Cl"	34.969402
"17311"	364.699406	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M-2H+K"	36.948606
"455916"	528.574806	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M-2H+K"	36.948606
"836382"	200.824006	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-2H+K"	36.948606
"1559509"	200.824006	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+K-2H"	36.948606
"945567"	208.873594	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-H+HCOOH"	44.998194
"361954"	372.749001	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+HCOOH-H"	44.998201
"346078"	386.764651	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+Hac-H"	59.013851
"1493005"	222.889251	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Hac-H"	59.013851
"959415"	230.855551	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-H+NaCOOH"	66.980151
"110022"	198.844802	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+2Cl"	69.938804
"554332"	280.782502	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+2Cl"	69.938804
"1023495"	116.907102	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2Cl"	69.938804
"1251098"	242.794285	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Br"	78.918885
"1312087"	244.850272	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Cl+HCOOH"	80.974872
"1323750"	266.832229	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Cl+NaCOOH"	102.956829
"914446"	276.860986	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M-H+CF3COOH"	112.985586
"1289084"	312.837664	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Cl+CF3COOH"	148.962264
"1368711"	128.862724	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H-2H2O"	-35.012676
"1384019"	146.8727	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H-H2O"	-17.0027
"282975"	328.758076	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+H"	1.007276
"676002"	492.633476	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+H"	1.007276
"1352109"	164.882676	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H"	1.007276
"127550"	164.882676	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+2H"	2.014552
"568451"	246.820376	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+2H"	2.014552
"1038338"	82.944976	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2H"	2.014552
"204537"	110.257542666667	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+3H"	3.021828
"645067"	164.882676	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+3H"	3.021828
"1163193"	55.6324093333333	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+3H"	3.021828
"425371"	345.784623	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+NH4"	18.033823
"787460"	509.660023	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+NH4"	18.033823
"1682336"	181.909223	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+NH4"	18.033823
"330977"	173.3959495	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+H+NH4"	19.041099
"723764"	255.3336495	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+H+NH4"	19.041099
"1477948"	91.4582495	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H+NH4"	19.041099
"393961"	350.740018	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+Na"	22.989218
"756179"	514.615418	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+Na"	22.989218
"1608290"	186.864618	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Na"	22.989218
"319420"	175.873647	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+H+Na"	23.996494
"712938"	257.811347	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+H+Na"	23.996494
"1473323"	93.935947	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H+Na"	23.996494
"1065477"	62.9597233333333	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2H+Na"	25.00377
"1267154"	196.908886	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+CH3OH+H"	33.033486
"387926"	366.713958	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+K"	38.963158
"751109"	530.589358	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+K"	38.963158
"1553161"	202.838558	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+K"	38.963158
"310337"	183.860617	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+H+K"	39.970434
"702755"	265.798317	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+H+K"	39.970434
"1454391"	101.922917	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H+K"	39.970434
"247366"	369.784626	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+ACN+H"	42.033826
"1221165"	205.909226	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+ACN+H"	42.033826
"1199584"	103.458251	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+ACN+2H"	43.041102
"191362"	372.72196	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+2Na-H"	44.97116
"633110"	536.59736	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+2Na-H"	44.97116
"1137709"	208.84656	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2Na-H"	44.97116
"180999"	186.864618	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+2Na"	45.978436
"620560"	268.802318	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+2Na"	45.978436
"1122968"	104.926918	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2Na"	45.978436
"1404305"	70.2870373333333	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H+2Na"	46.985712
"1432169"	210.888146	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H+HCOOH"	47.012746
"222472"	191.89764	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+3H2O+2H"	56.04448
"1510897"	224.94019	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+IsoProp+H"	61.06479
"410583"	194.851588	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+Na+K"	61.952376
"772670"	276.789288	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+Na+K"	61.952376
"1673390"	112.913888	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Na+K"	61.952376
"256630"	391.766568	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+ACN+Na"	64.015768
"1231526"	227.891168	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+ACN+Na"	64.015768
"1717127"	227.914693	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+NH4+HCOOH"	64.039293
"1182116"	77.6143513333333	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+3Na"	68.967654
"1664410"	232.870088	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Na+HCOOH"	68.994688
"167991"	404.66984	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+2K-H"	76.91904
"608643"	568.54524	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+2K-H"	76.91904
"1095343"	240.79444	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2K-H"	76.91904
"151064"	202.838558	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"2M+2K"	77.926316
"592815"	284.776258	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"3M+2K"	77.926316
"1081703"	120.900858	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2K"	77.926316
"1113697"	242.808992	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2K+H"	78.933592
"1349846"	242.896607	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+DMSO+H"	79.021207
"1017643"	246.935776	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2ACN+H"	83.060376
"1532484"	247.929408	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+IsoProp+Na+H"	84.054008
"995653"	123.971526	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+2ACN+2H"	84.067652
"1591250"	248.844028	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+K+HCOOH"	84.968628
"1415817"	278.875538	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+H+CF3COOH"	115.000138
"1147202"	144.484801	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+3ACN+2H"	125.094202
"1701128"	295.902085	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+NH4+CF3COOH"	132.026685
"1634591"	300.85748	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+Na+CF3COOH"	136.98208
"1578992"	316.83142	"C06789"	"Tetrachloroethene;Perchloroethylene;PCE"	"C2Cl4"	"163.8754"	"M+K+CF3COOH"	152.95602
"812640"	129.9144	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M"	0
"985080"	110.89601	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-H2O-H"	-19.01839
"68948"	85.602324	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M-3H"	-3.021828
"507414"	128.907124	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M-3H"	-3.021828
"883028"	42.297524	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-3H"	-3.021828
"2696"	128.907124	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M-2H"	-2.014552
"452102"	193.864324	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M-2H"	-2.014552
"832093"	63.949924	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-2H"	-2.014552
"85521"	258.821524	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M-H"	-1.007276
"527269"	388.735924	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M-H"	-1.007276
"908351"	128.907124	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-H"	-1.007276
"55071"	275.848071	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M-2H+NH4"	16.019271
"492443"	405.762471	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M-2H+NH4"	16.019271
"866964"	145.933671	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-2H+NH4"	16.019271
"39237"	280.803466	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M-2H+Na"	20.974666
"473694"	410.717866	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M-2H+Na"	20.974666
"857698"	150.889066	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-2H+Na"	20.974666
"1628325"	150.889066	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Na-2H"	20.974666
"104854"	146.895463	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M-H+Cl"	33.962126
"545506"	211.852663	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M-H+Cl"	33.962126
"932460"	81.938263	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-H+Cl"	33.962126
"275393"	294.798202	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+Cl"	34.969402
"668908"	424.712602	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+Cl"	34.969402
"1274750"	164.883802	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Cl"	34.969402
"16324"	296.777406	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M-2H+K"	36.948606
"456050"	426.691806	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M-2H+K"	36.948606
"836128"	166.863006	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-2H+K"	36.948606
"1555739"	166.863006	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+K-2H"	36.948606
"944582"	174.912594	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-H+HCOOH"	44.998194
"362065"	304.827001	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+HCOOH-H"	44.998201
"346190"	318.842651	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+Hac-H"	59.013851
"1493201"	188.928251	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Hac-H"	59.013851
"959772"	196.894551	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-H+NaCOOH"	66.980151
"110255"	164.883802	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+2Cl"	69.938804
"551526"	229.841002	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+2Cl"	69.938804
"1021821"	99.926602	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2Cl"	69.938804
"1255582"	208.833285	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Br"	78.918885
"1311469"	210.889272	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Cl+HCOOH"	80.974872
"1321674"	232.871229	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Cl+NaCOOH"	102.956829
"917108"	242.899986	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M-H+CF3COOH"	112.985586
"1288708"	278.876664	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Cl+CF3COOH"	148.962264
"1369064"	94.901724	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H-2H2O"	-35.012676
"1384008"	112.9117	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H-H2O"	-17.0027
"282929"	260.836076	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+H"	1.007276
"675679"	390.750476	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+H"	1.007276
"1351854"	130.921676	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H"	1.007276
"126566"	130.921676	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+2H"	2.014552
"567103"	195.878876	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+2H"	2.014552
"1037476"	65.964476	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2H"	2.014552
"204527"	87.616876	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+3H"	3.021828
"644815"	130.921676	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+3H"	3.021828
"1163304"	44.312076	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+3H"	3.021828
"424510"	277.862623	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+NH4"	18.033823
"786353"	407.777023	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+NH4"	18.033823
"1683537"	147.948223	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+NH4"	18.033823
"331450"	139.4349495	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+H+NH4"	19.041099
"724601"	204.3921495	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+H+NH4"	19.041099
"1479151"	74.4777495	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H+NH4"	19.041099
"392879"	282.818018	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+Na"	22.989218
"754951"	412.732418	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+Na"	22.989218
"1610586"	152.903618	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Na"	22.989218
"320623"	141.912647	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+H+Na"	23.996494
"713048"	206.869847	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+H+Na"	23.996494
"1474162"	76.955447	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H+Na"	23.996494
"1065584"	51.63939	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2H+Na"	25.00377
"1267265"	162.947886	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+CH3OH+H"	33.033486
"390227"	298.791958	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+K"	38.963158
"751948"	428.706358	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+K"	38.963158
"1553636"	168.877558	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+K"	38.963158
"313605"	149.899617	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+H+K"	39.970434
"702865"	214.856817	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+H+K"	39.970434
"1460860"	84.942417	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H+K"	39.970434
"249662"	301.862626	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+ACN+H"	42.033826
"1219088"	171.948226	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+ACN+H"	42.033826
"1204067"	86.477751	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+ACN+2H"	43.041102
"195845"	304.79996	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+2Na-H"	44.97116
"637594"	434.71436	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+2Na-H"	44.97116
"1137819"	174.88556	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2Na-H"	44.97116
"183297"	152.903618	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+2Na"	45.978436
"620671"	217.860818	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+2Na"	45.978436
"1121985"	87.946418	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2Na"	45.978436
"1403322"	58.966704	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H+2Na"	46.985712
"1433252"	176.927146	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H+HCOOH"	47.012746
"226228"	157.93664	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+3H2O+2H"	56.04448
"1510281"	190.97919	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+IsoProp+H"	61.06479
"410693"	160.890588	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+Na+K"	61.952376
"771686"	225.847788	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+Na+K"	61.952376
"1675686"	95.933388	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Na+K"	61.952376
"257834"	323.844568	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+ACN+Na"	64.015768
"1232729"	193.930168	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+ACN+Na"	64.015768
"1717602"	193.953693	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+NH4+HCOOH"	64.039293
"1181862"	66.294018	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+3Na"	68.967654
"1663426"	198.909088	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Na+HCOOH"	68.994688
"168101"	336.74784	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+2K-H"	76.91904
"607661"	466.66224	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+2K-H"	76.91904
"1096546"	206.83344	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2K-H"	76.91904
"151175"	168.877558	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"2M+2K"	77.926316
"592924"	233.834758	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"3M+2K"	77.926316
"1080720"	103.920358	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2K"	77.926316
"1109555"	208.847992	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2K+H"	78.933592
"1350194"	208.935607	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+DMSO+H"	79.021207
"1014471"	212.974776	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2ACN+H"	83.060376
"1533689"	213.968408	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+IsoProp+Na+H"	84.054008
"992846"	106.991026	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+2ACN+2H"	84.067652
"1589173"	214.883028	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+K+HCOOH"	84.968628
"1415927"	244.914538	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+H+CF3COOH"	115.000138
"1147310"	127.504301	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+3ACN+2H"	125.094202
"1700145"	261.941085	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+NH4+CF3COOH"	132.026685
"1635794"	266.89648	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+Na+CF3COOH"	136.98208
"1579102"	282.87042	"C06790"	"Trichloroethene;Trichloroethylene;TCE"	"C2HCl3"	"129.9144"	"M+K+CF3COOH"	152.95602
"812750"	95.9534	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M"	0
"981910"	76.93501	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H2O-H"	-19.01839
"67964"	62.9616573333333	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-3H"	-3.021828
"508617"	94.946124	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-3H"	-3.021828
"883138"	30.9771906666667	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-3H"	-3.021828
"3899"	94.946124	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H"	-2.014552
"446744"	142.922824	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H"	-2.014552
"831111"	46.969424	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H"	-2.014552
"85631"	190.899524	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-H"	-1.007276
"523004"	286.852924	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-H"	-1.007276
"906274"	94.946124	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H"	-1.007276
"49713"	207.926071	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H+NH4"	16.019271
"489632"	303.879471	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H+NH4"	16.019271
"867069"	111.972671	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H+NH4"	16.019271
"39347"	212.881466	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H+Na"	20.974666
"474532"	308.834866	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H+Na"	20.974666
"857808"	116.928066	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H+Na"	20.974666
"1628435"	116.928066	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na-2H"	20.974666
"101683"	112.934463	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-H+Cl"	33.962126
"539056"	160.911163	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-H+Cl"	33.962126
"932570"	64.957763	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+Cl"	33.962126
"269061"	226.876202	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Cl"	34.969402
"662457"	322.829602	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+Cl"	34.969402
"1274008"	130.922802	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl"	34.969402
"16193"	228.855406	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H+K"	36.948606
"455818"	324.808806	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H+K"	36.948606
"833235"	132.902006	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H+K"	36.948606
"1555655"	132.902006	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K-2H"	36.948606
"942844"	140.951594	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+HCOOH"	44.998194
"361477"	236.905001	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+HCOOH-H"	44.998201
"346179"	250.920651	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Hac-H"	59.013851
"1492749"	154.967251	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Hac-H"	59.013851
"958561"	162.933551	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+NaCOOH"	66.980151
"110101"	130.922802	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2Cl"	69.938804
"551636"	178.899502	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2Cl"	69.938804
"1022012"	82.946102	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2Cl"	69.938804
"1253505"	174.872285	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Br"	78.918885
"1313766"	176.928272	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl+HCOOH"	80.974872
"1321784"	198.910229	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl+NaCOOH"	102.956829
"911498"	208.938986	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+CF3COOH"	112.985586
"1288772"	244.915664	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl+CF3COOH"	148.962264
"1370998"	60.940724	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H-2H2O"	-35.012676
"1383146"	78.9507	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H-H2O"	-17.0027
"283556"	192.914076	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H"	1.007276
"675777"	288.867476	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H"	1.007276
"1351707"	96.960676	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H"	1.007276
"126056"	96.960676	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2H"	2.014552
"566271"	144.937376	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2H"	2.014552
"1037215"	48.983976	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2H"	2.014552
"204755"	64.9762093333333	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+3H"	3.021828
"644595"	96.960676	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+3H"	3.021828
"1163651"	32.9917426666667	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+3H"	3.021828
"425102"	209.940623	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+NH4"	18.033823
"786825"	305.894023	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+NH4"	18.033823
"1682428"	113.987223	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+NH4"	18.033823
"331560"	105.4739495	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H+NH4"	19.041099
"724098"	153.4506495	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H+NH4"	19.041099
"1478892"	57.4972495	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+NH4"	19.041099
"393086"	214.896018	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Na"	22.989218
"757126"	310.849418	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+Na"	22.989218
"1603524"	118.942618	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na"	22.989218
"318546"	107.951647	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H+Na"	23.996494
"712063"	155.928347	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H+Na"	23.996494
"1473908"	59.974947	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+Na"	23.996494
"1062413"	40.3190566666667	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2H+Na"	25.00377
"1265185"	128.986886	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+CH3OH+H"	33.033486
"390702"	230.869958	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+K"	38.963158
"750236"	326.823358	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+K"	38.963158
"1552653"	134.916558	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K"	38.963158
"312743"	115.938617	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H+K"	39.970434
"704068"	163.915317	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H+K"	39.970434
"1456796"	67.961917	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+K"	39.970434
"245397"	233.940626	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+ACN+H"	42.033826
"1214824"	137.987226	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+ACN+H"	42.033826
"1204175"	69.497251	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+ACN+2H"	43.041102
"195955"	236.87796	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2Na-H"	44.97116
"634423"	332.83136	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2Na-H"	44.97116
"1132461"	140.92456	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2Na-H"	44.97116
"182313"	118.942618	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2Na"	45.978436
"621873"	166.919318	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2Na"	45.978436
"1122824"	70.965918	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2Na"	45.978436
"1404525"	47.6463706666667	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+2Na"	46.985712
"1432267"	142.966146	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+HCOOH"	47.012746
"225243"	123.97564	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+3H2O+2H"	56.04448
"1513304"	157.01819	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+IsoProp+H"	61.06479
"415177"	126.929588	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Na+K"	61.952376
"773986"	174.906288	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+Na+K"	61.952376
"1667033"	78.952888	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na+K"	61.952376
"257944"	255.922568	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+ACN+Na"	64.015768
"1231746"	159.969168	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+ACN+Na"	64.015768
"1716983"	159.992693	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+NH4+HCOOH"	64.039293
"1181243"	54.9736846666667	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+3Na"	68.967654
"1660255"	164.948088	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na+HCOOH"	68.994688
"168211"	268.82584	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2K-H"	76.91904
"608863"	364.77924	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2K-H"	76.91904
"1093375"	172.87244	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2K-H"	76.91904
"148004"	134.916558	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2K"	77.926316
"591941"	182.893258	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2K"	77.926316
"1081802"	86.939858	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2K"	77.926316
"1111851"	174.886992	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2K+H"	78.933592
"1346051"	174.974607	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+DMSO+H"	79.021207
"1015675"	179.013776	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2ACN+H"	83.060376
"1535986"	180.007408	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+IsoProp+Na+H"	84.054008
"991862"	90.010526	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2ACN+2H"	84.067652
"1589283"	180.922028	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K+HCOOH"	84.968628
"1414698"	210.953538	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+CF3COOH"	115.000138
"1147907"	110.523801	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+3ACN+2H"	125.094202
"1701348"	227.980085	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+NH4+CF3COOH"	132.026685
"1635904"	232.93548	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na+CF3COOH"	136.98208
"1579212"	248.90942	"C06791"	"trans-12-Dichloroethene;trans-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K+CF3COOH"	152.95602
"812860"	95.9534	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M"	0
"983113"	76.93501	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H2O-H"	-19.01839
"66981"	62.9616573333333	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-3H"	-3.021828
"505447"	94.946124	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-3H"	-3.021828
"883248"	30.9771906666667	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-3H"	-3.021828
"4009"	94.946124	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H"	-2.014552
"446853"	142.922824	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H"	-2.014552
"829031"	46.969424	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H"	-2.014552
"85741"	190.899524	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-H"	-1.007276
"523114"	286.852924	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-H"	-1.007276
"900916"	94.946124	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H"	-1.007276
"48240"	207.926071	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H+NH4"	16.019271
"490468"	303.879471	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H+NH4"	16.019271
"868274"	111.972671	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H+NH4"	16.019271
"39457"	212.881466	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H+Na"	20.974666
"476100"	308.834866	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H+Na"	20.974666
"857918"	116.928066	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H+Na"	20.974666
"1628545"	116.928066	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na-2H"	20.974666
"101793"	112.934463	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-H+Cl"	33.962126
"539166"	160.911163	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-H+Cl"	33.962126
"932680"	64.957763	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+Cl"	33.962126
"269050"	226.876202	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Cl"	34.969402
"660499"	322.829602	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+Cl"	34.969402
"1273873"	130.922802	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl"	34.969402
"16911"	228.855406	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M-2H+K"	36.948606
"456839"	324.808806	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M-2H+K"	36.948606
"833335"	132.902006	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-2H+K"	36.948606
"1555832"	132.902006	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K-2H"	36.948606
"943011"	140.951594	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+HCOOH"	44.998194
"363010"	236.905001	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+HCOOH-H"	44.998201
"347017"	250.920651	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Hac-H"	59.013851
"1494996"	154.967251	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Hac-H"	59.013851
"958896"	162.933551	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+NaCOOH"	66.980151
"110173"	130.922802	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2Cl"	69.938804
"552110"	178.899502	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2Cl"	69.938804
"1022366"	82.946102	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2Cl"	69.938804
"1251428"	174.872285	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Br"	78.918885
"1309137"	176.928272	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl+HCOOH"	80.974872
"1321164"	198.910229	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl+NaCOOH"	102.956829
"911734"	208.938986	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M-H+CF3COOH"	112.985586
"1289170"	244.915664	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Cl+CF3COOH"	148.962264
"1371108"	60.940724	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H-2H2O"	-35.012676
"1383619"	78.9507	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H-H2O"	-17.0027
"283793"	192.914076	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H"	1.007276
"677058"	288.867476	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H"	1.007276
"1351500"	96.960676	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H"	1.007276
"126904"	96.960676	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2H"	2.014552
"566831"	144.937376	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2H"	2.014552
"1038304"	48.983976	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2H"	2.014552
"205597"	64.9762093333333	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+3H"	3.021828
"645762"	96.960676	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+3H"	3.021828
"1163761"	32.9917426666667	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+3H"	3.021828
"425699"	209.940623	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+NH4"	18.033823
"787425"	305.894023	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+NH4"	18.033823
"1683753"	113.987223	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+NH4"	18.033823
"331305"	105.4739495	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H+NH4"	19.041099
"727004"	153.4506495	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H+NH4"	19.041099
"1478644"	57.4972495	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+NH4"	19.041099
"394168"	214.896018	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Na"	22.989218
"756143"	310.849418	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+Na"	22.989218
"1605335"	118.942618	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na"	22.989218
"321936"	107.951647	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H+Na"	23.996494
"714360"	155.928347	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H+Na"	23.996494
"1472560"	59.974947	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+Na"	23.996494
"1065804"	40.3190566666667	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2H+Na"	25.00377
"1266389"	128.986886	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+CH3OH+H"	33.033486
"389343"	230.869958	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+K"	38.963158
"750342"	326.823358	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+K"	38.963158
"1551671"	134.916558	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K"	38.963158
"311758"	115.938617	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+H+K"	39.970434
"699804"	163.915317	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+H+K"	39.970434
"1453626"	67.961917	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+K"	39.970434
"244414"	233.940626	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+ACN+H"	42.033826
"1214935"	137.987226	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+ACN+H"	42.033826
"1201005"	69.497251	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+ACN+2H"	43.041102
"194972"	236.87796	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2Na-H"	44.97116
"634534"	332.83136	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2Na-H"	44.97116
"1133665"	140.92456	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2Na-H"	44.97116
"183152"	118.942618	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2Na"	45.978436
"620890"	166.919318	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2Na"	45.978436
"1121841"	70.965918	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2Na"	45.978436
"1403543"	47.6463706666667	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+2Na"	46.985712
"1431649"	142.966146	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+HCOOH"	47.012746
"223167"	123.97564	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+3H2O+2H"	56.04448
"1512685"	157.01819	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+IsoProp+H"	61.06479
"415288"	126.929588	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+Na+K"	61.952376
"776645"	174.906288	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+Na+K"	61.952376
"1669695"	78.952888	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na+K"	61.952376
"256961"	255.922568	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+ACN+Na"	64.015768
"1232949"	159.969168	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+ACN+Na"	64.015768
"1715271"	159.992693	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+NH4+HCOOH"	64.039293
"1180260"	54.9736846666667	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+3Na"	68.967654
"1658179"	164.948088	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na+HCOOH"	68.994688
"169414"	268.82584	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2K-H"	76.91904
"610067"	364.77924	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2K-H"	76.91904
"1094579"	172.87244	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2K-H"	76.91904
"148114"	134.916558	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"2M+2K"	77.926316
"592051"	182.893258	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"3M+2K"	77.926316
"1083494"	86.939858	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2K"	77.926316
"1114637"	174.886992	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2K+H"	78.933592
"1350414"	174.974607	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+DMSO+H"	79.021207
"1015785"	179.013776	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2ACN+H"	83.060376
"1538162"	180.007408	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+IsoProp+Na+H"	84.054008
"990875"	90.010526	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+2ACN+2H"	84.067652
"1587690"	180.922028	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K+HCOOH"	84.968628
"1414566"	210.953538	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+H+CF3COOH"	115.000138
"1147653"	110.523801	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+3ACN+2H"	125.094202
"1700365"	227.980085	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+NH4+CF3COOH"	132.026685
"1634920"	232.93548	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+Na+CF3COOH"	136.98208
"1579322"	248.90942	"C06792"	"cis-12-Dichloroethene;cis-Acetylene dichloride"	"C2H2Cl2"	"95.9534"	"M+K+CF3COOH"	152.95602
"812970"	61.9923	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M"	0
"979943"	42.97391	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-H2O-H"	-19.01839
"68184"	40.320924	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M-3H"	-3.021828
"506650"	60.985024	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M-3H"	-3.021828
"883358"	19.656824	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-3H"	-3.021828
"5212"	60.985024	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M-2H"	-2.014552
"448056"	91.981174	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M-2H"	-2.014552
"831328"	29.988874	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-2H"	-2.014552
"89131"	122.977324	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M-H"	-1.007276
"524317"	184.969624	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M-H"	-1.007276
"904306"	60.985024	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-H"	-1.007276
"51026"	140.003871	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M-2H+NH4"	16.019271
"490583"	201.996171	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M-2H+NH4"	16.019271
"868020"	78.011571	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-2H+NH4"	16.019271
"35919"	144.959266	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M-2H+Na"	20.974666
"475846"	206.951566	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M-2H+Na"	20.974666
"863374"	82.966966	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-2H+Na"	20.974666
"1630842"	82.966966	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Na-2H"	20.974666
"101903"	78.973363	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M-H+Cl"	33.962126
"539276"	109.969513	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M-H+Cl"	33.962126
"936070"	47.977213	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-H+Cl"	33.962126
"268431"	158.954002	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+Cl"	34.969402
"660973"	220.946302	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+Cl"	34.969402
"1274710"	96.961702	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Cl"	34.969402
"16292"	160.933206	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M-2H+K"	36.948606
"457313"	222.925506	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M-2H+K"	36.948606
"832883"	98.940906	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-2H+K"	36.948606
"1557391"	98.940906	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+K-2H"	36.948606
"942880"	106.990494	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-H+HCOOH"	44.998194
"362027"	168.982801	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+HCOOH-H"	44.998201
"345740"	182.998451	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+Hac-H"	59.013851
"1493648"	121.006151	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Hac-H"	59.013851
"958636"	128.972451	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-H+NaCOOH"	66.980151
"110050"	96.961702	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+2Cl"	69.938804
"551613"	127.957852	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+2Cl"	69.938804
"1023205"	65.965552	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2Cl"	69.938804
"1247529"	140.911185	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Br"	78.918885
"1308883"	142.967172	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Cl+HCOOH"	80.974872
"1325285"	164.949129	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Cl+NaCOOH"	102.956829
"911369"	174.977886	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M-H+CF3COOH"	112.985586
"1289040"	210.954564	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Cl+CF3COOH"	148.962264
"1369395"	26.979624	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H-2H2O"	-35.012676
"1384338"	44.9896	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H-H2O"	-17.0027
"283539"	124.991876	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+H"	1.007276
"675728"	186.984176	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+H"	1.007276
"1351361"	62.999576	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H"	1.007276
"125849"	62.999576	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+2H"	2.014552
"565693"	93.995726	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+2H"	2.014552
"1037441"	32.003426	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2H"	2.014552
"205098"	42.335476	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+3H"	3.021828
"644651"	62.999576	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+3H"	3.021828
"1163386"	21.671376	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+3H"	3.021828
"425444"	142.018423	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+NH4"	18.033823
"787899"	204.010723	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+NH4"	18.033823
"1683498"	80.026123	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+NH4"	18.033823
"331049"	71.5128495	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+H+NH4"	19.041099
"724563"	102.5089995	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+H+NH4"	19.041099
"1478022"	40.5166995	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H+NH4"	19.041099
"394151"	146.973818	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+Na"	22.989218
"755888"	208.966118	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+Na"	22.989218
"1603739"	84.981518	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Na"	22.989218
"322046"	73.990547	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+H+Na"	23.996494
"708999"	104.986697	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+H+Na"	23.996494
"1476599"	42.994397	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H+Na"	23.996494
"1065914"	28.99869	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2H+Na"	25.00377
"1267593"	95.025786	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+CH3OH+H"	33.033486
"388358"	162.947758	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+K"	38.963158
"751539"	224.940058	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+K"	38.963158
"1554209"	100.955458	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+K"	38.963158
"313326"	81.977517	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+H+K"	39.970434
"699913"	112.973667	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+H+K"	39.970434
"1458110"	50.981367	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H+K"	39.970434
"243430"	166.018426	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+ACN+H"	42.033826
"1216138"	104.026126	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+ACN+H"	42.033826
"1202208"	52.516701	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+ACN+2H"	43.041102
"198362"	168.95576	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+2Na-H"	44.97116
"636830"	230.94806	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+2Na-H"	44.97116
"1137055"	106.96346	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2Na-H"	44.97116
"185085"	84.981518	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+2Na"	45.978436
"623187"	115.977668	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+2Na"	45.978436
"1122315"	53.985368	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2Na"	45.978436
"1406932"	36.326004	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H+2Na"	46.985712
"1434675"	109.005046	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H+HCOOH"	47.012746
"225464"	90.01454	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+3H2O+2H"	56.04448
"1512433"	123.05709	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+IsoProp+H"	61.06479
"415398"	92.968488	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+Na+K"	61.952376
"775299"	123.964638	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+Na+K"	61.952376
"1671264"	61.972338	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Na+K"	61.952376
"258164"	188.000368	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+ACN+Na"	64.015768
"1233059"	126.008068	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+ACN+Na"	64.015768
"1713557"	126.031593	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+NH4+HCOOH"	64.039293
"1180369"	43.653318	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+3Na"	68.967654
"1662662"	130.986988	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Na+HCOOH"	68.994688
"168430"	200.90364	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+2K-H"	76.91904
"610178"	262.89594	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+2K-H"	76.91904
"1094689"	138.91134	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2K-H"	76.91904
"148224"	100.955458	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"2M+2K"	77.926316
"596539"	131.951608	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"3M+2K"	77.926316
"1083359"	69.959308	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2K"	77.926316
"1114506"	140.925892	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2K+H"	78.933592
"1348101"	141.013507	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+DMSO+H"	79.021207
"1019176"	145.052676	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2ACN+H"	83.060376
"1539002"	146.046308	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+IsoProp+Na+H"	84.054008
"991719"	73.029976	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+2ACN+2H"	84.067652
"1587800"	146.960928	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+K+HCOOH"	84.968628
"1414472"	176.992438	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+H+CF3COOH"	115.000138
"1148736"	93.543251	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+3ACN+2H"	125.094202
"1700475"	194.018985	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+NH4+CF3COOH"	132.026685
"1634503"	198.97438	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+Na+CF3COOH"	136.98208
"1579432"	214.94832	"C06793"	"Vinyl chloride;Chloroethylene"	"C2H3Cl"	"61.9923"	"M+K+CF3COOH"	152.95602
"813080"	444.1056	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M"	0
"982239"	425.08721	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-H2O-H"	-19.01839
"68294"	295.063124	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M-3H"	-3.021828
"505667"	443.098324	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M-3H"	-3.021828
"883468"	147.027924	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-3H"	-3.021828
"3136"	443.098324	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M-2H"	-2.014552
"447073"	665.151124	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M-2H"	-2.014552
"829251"	221.045524	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-2H"	-2.014552
"88148"	887.203924	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M-H"	-1.007276
"523334"	1331.309524	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M-H"	-1.007276
"901136"	443.098324	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-H"	-1.007276
"51136"	904.230471	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M-2H+NH4"	16.019271
"490327"	1348.336071	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M-2H+NH4"	16.019271
"868859"	460.124871	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-2H+NH4"	16.019271
"35300"	909.185866	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M-2H+Na"	20.974666
"477049"	1353.291466	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M-2H+Na"	20.974666
"854857"	465.080266	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-2H+Na"	20.974666
"1628764"	465.080266	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Na-2H"	20.974666
"95452"	461.086663	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M-H+Cl"	33.962126
"539386"	683.139463	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M-H+Cl"	33.962126
"932900"	239.033863	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-H+Cl"	33.962126
"268541"	923.180602	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+Cl"	34.969402
"661203"	1367.286202	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+Cl"	34.969402
"1273726"	479.075002	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Cl"	34.969402
"16276"	925.159806	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M-2H+K"	36.948606
"455921"	1369.265406	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M-2H+K"	36.948606
"833436"	481.054206	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-2H+K"	36.948606
"1557859"	481.054206	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+K-2H"	36.948606
"943111"	489.103794	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-H+HCOOH"	44.998194
"361604"	933.209401	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+HCOOH-H"	44.998201
"346337"	947.225051	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+Hac-H"	59.013851
"1493391"	503.119451	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Hac-H"	59.013851
"961661"	511.085751	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-H+NaCOOH"	66.980151
"110691"	479.075002	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+2Cl"	69.938804
"552695"	701.127802	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+2Cl"	69.938804
"1023315"	257.022202	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2Cl"	69.938804
"1248732"	523.024485	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Br"	78.918885
"1309357"	525.080472	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Cl+HCOOH"	80.974872
"1322840"	547.062429	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Cl+NaCOOH"	102.956829
"911630"	557.091186	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M-H+CF3COOH"	112.985586
"1290243"	593.067864	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Cl+CF3COOH"	148.962264
"1368776"	409.092924	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H-2H2O"	-35.012676
"1384084"	427.1029	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H-H2O"	-17.0027
"283042"	889.218476	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+H"	1.007276
"675783"	1333.324076	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+H"	1.007276
"1351471"	445.112876	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H"	1.007276
"125836"	445.112876	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+2H"	2.014552
"565957"	667.165676	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+2H"	2.014552
"1037430"	223.060076	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2H"	2.014552
"204844"	297.077676	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+3H"	3.021828
"645004"	445.112876	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+3H"	3.021828
"1163253"	149.042476	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+3H"	3.021828
"426286"	906.245023	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+NH4"	18.033823
"789102"	1350.350623	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+NH4"	18.033823
"1685432"	462.139423	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+NH4"	18.033823
"331887"	453.6261495	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+H+NH4"	19.041099
"725767"	675.6789495	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+H+NH4"	19.041099
"1477890"	231.5733495	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H+NH4"	19.041099
"393003"	911.200418	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+Na"	22.989218
"754701"	1355.306018	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+Na"	22.989218
"1604094"	467.094818	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Na"	22.989218
"324344"	456.103847	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+H+Na"	23.996494
"711297"	678.156647	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+H+Na"	23.996494
"1476629"	234.051047	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H+Na"	23.996494
"1066024"	156.36979	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2H+Na"	25.00377
"1267703"	477.139086	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+CH3OH+H"	33.033486
"390289"	927.174358	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+K"	38.963158
"752378"	1371.279958	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+K"	38.963158
"1553711"	483.068758	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+K"	38.963158
"313436"	464.090817	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+H+K"	39.970434
"698930"	686.143617	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+H+K"	39.970434
"1456033"	242.038017	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H+K"	39.970434
"243540"	930.245026	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+ACN+H"	42.033826
"1214061"	486.139426	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+ACN+H"	42.033826
"1199038"	243.573351	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+ACN+2H"	43.041102
"198472"	933.18236	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+2Na-H"	44.97116
"636940"	1377.28796	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+2Na-H"	44.97116
"1137165"	489.07676	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2Na-H"	44.97116
"184468"	467.094818	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+2Na"	45.978436
"622205"	689.147618	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+2Na"	45.978436
"1126435"	245.042018	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2Na"	45.978436
"1403762"	163.697104	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H+2Na"	46.985712
"1433691"	491.118346	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H+HCOOH"	47.012746
"223751"	472.12784	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+3H2O+2H"	56.04448
"1511448"	505.17039	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+IsoProp+H"	61.06479
"413322"	475.081788	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+Na+K"	61.952376
"774316"	697.134588	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+Na+K"	61.952376
"1669553"	253.028988	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Na+K"	61.952376
"259367"	952.226968	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+ACN+Na"	64.015768
"1233169"	508.121368	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+ACN+Na"	64.015768
"1715125"	508.144893	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+NH4+HCOOH"	64.039293
"1180480"	171.024418	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+3Na"	68.967654
"1663865"	513.100288	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Na+HCOOH"	68.994688
"169633"	965.13024	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+2K-H"	76.91904
"612521"	1409.23584	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+2K-H"	76.91904
"1096985"	521.02464	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2K-H"	76.91904
"148334"	483.068758	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"2M+2K"	77.926316
"592270"	705.121558	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"3M+2K"	77.926316
"1078970"	261.015958	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2K"	77.926316
"1114004"	523.039192	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2K+H"	78.933592
"1347474"	523.126807	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+DMSO+H"	79.021207
"1016004"	527.165976	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2ACN+H"	83.060376
"1536315"	528.159608	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+IsoProp+Na+H"	84.054008
"992923"	264.086626	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+2ACN+2H"	84.067652
"1587178"	529.074228	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+K+HCOOH"	84.968628
"1414459"	559.105738	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+H+CF3COOH"	115.000138
"1147508"	284.599901	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+3ACN+2H"	125.094202
"1701678"	576.132285	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+NH4+CF3COOH"	132.026685
"1635505"	581.08768	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+Na+CF3COOH"	136.98208
"1579542"	597.06162	"C06799"	"Granaticin"	"C22H20O10"	"444.1056"	"M+K+CF3COOH"	152.95602
"814285"	312.0634	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M"	0
"980163"	293.04501	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-H2O-H"	-19.01839
"67311"	207.034990666667	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M-3H"	-3.021828
"503955"	311.056124	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M-3H"	-3.021828
"882485"	103.013857333333	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-3H"	-3.021828
"2153"	311.056124	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M-2H"	-2.014552
"450465"	467.087824	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M-2H"	-2.014552
"828268"	155.024424	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-2H"	-2.014552
"87165"	623.119524	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M-H"	-1.007276
"521257"	935.182924	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M-H"	-1.007276
"897966"	311.056124	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-H"	-1.007276
"48691"	640.146071	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M-2H+NH4"	16.019271
"490436"	952.209471	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M-2H+NH4"	16.019271
"867874"	328.082671	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-2H+NH4"	16.019271
"34683"	645.101466	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M-2H+Na"	20.974666
"474973"	957.164866	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M-2H+Na"	20.974666
"851686"	333.038066	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-2H+Na"	20.974666
"1627781"	333.038066	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Na-2H"	20.974666
"96655"	329.044463	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M-H+Cl"	33.962126
"539496"	485.076163	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M-H+Cl"	33.962126
"933010"	173.012763	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-H+Cl"	33.962126
"268408"	659.096202	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+Cl"	34.969402
"660175"	971.159602	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+Cl"	34.969402
"1273591"	347.032802	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Cl"	34.969402
"15939"	661.075406	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M-2H+K"	36.948606
"455702"	973.138806	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M-2H+K"	36.948606
"832897"	349.012006	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-2H+K"	36.948606
"1555943"	349.012006	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+K-2H"	36.948606
"946947"	357.061594	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-H+HCOOH"	44.998194
"361882"	669.125001	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+HCOOH-H"	44.998201
"345883"	683.140651	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+Hac-H"	59.013851
"1493987"	371.077251	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Hac-H"	59.013851
"958976"	379.043551	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-H+NaCOOH"	66.980151
"111408"	347.032802	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+2Cl"	69.938804
"552441"	503.064502	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+2Cl"	69.938804
"1022696"	191.001102	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2Cl"	69.938804
"1243737"	390.982285	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Br"	78.918885
"1308739"	393.038272	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Cl+HCOOH"	80.974872
"1324047"	415.020229	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Cl+NaCOOH"	102.956829
"911943"	425.048986	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M-H+CF3COOH"	112.985586
"1290353"	461.025664	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Cl+CF3COOH"	148.962264
"1368522"	277.050724	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H-2H2O"	-35.012676
"1383102"	295.0607	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H-H2O"	-17.0027
"283315"	625.134076	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+H"	1.007276
"675736"	937.197476	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+H"	1.007276
"1352152"	313.070676	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H"	1.007276
"126623"	313.070676	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+2H"	2.014552
"566791"	469.102376	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+2H"	2.014552
"1037333"	157.038976	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2H"	2.014552
"205919"	209.049542666667	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+3H"	3.021828
"647177"	313.070676	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+3H"	3.021828
"1164819"	105.028409333333	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+3H"	3.021828
"425667"	642.160623	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+NH4"	18.033823
"788119"	954.224023	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+NH4"	18.033823
"1683356"	330.097223	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+NH4"	18.033823
"331270"	321.5839495	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+H+NH4"	19.041099
"726241"	477.6156495	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+H+NH4"	19.041099
"1478000"	165.5522495	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H+NH4"	19.041099
"393074"	647.116018	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+Na"	22.989218
"754436"	959.179418	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+Na"	22.989218
"1602895"	335.052618	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Na"	22.989218
"315336"	324.061647	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+H+Na"	23.996494
"711407"	480.093347	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+H+Na"	23.996494
"1475442"	168.029947	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H+Na"	23.996494
"1064676"	112.355723333333	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2H+Na"	25.00377
"1268906"	345.096886	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+CH3OH+H"	33.033486
"390763"	663.089958	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+K"	38.963158
"749572"	975.153358	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+K"	38.963158
"1553819"	351.026558	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+K"	38.963158
"312087"	332.048617	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+H+K"	39.970434
"699040"	488.080317	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+H+K"	39.970434
"1459059"	176.016917	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H+K"	39.970434
"243650"	666.160626	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+ACN+H"	42.033826
"1214171"	354.097226	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+ACN+H"	42.033826
"1201335"	177.552251	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+ACN+2H"	43.041102
"199677"	669.09796	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+2Na-H"	44.97116
"635956"	981.16136	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+2Na-H"	44.97116
"1142378"	357.03456	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2Na-H"	44.97116
"182755"	335.052618	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+2Na"	45.978436
"624502"	491.084318	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+2Na"	45.978436
"1125453"	179.020918	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2Na"	45.978436
"1406788"	119.683037333333	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H+2Na"	46.985712
"1432708"	359.076146	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H+HCOOH"	47.012746
"225684"	340.08564	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+3H2O+2H"	56.04448
"1511557"	373.12819	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+IsoProp+H"	61.06479
"414525"	343.039588	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+Na+K"	61.952376
"773332"	499.071288	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+Na+K"	61.952376
"1667475"	187.007888	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Na+K"	61.952376
"259477"	688.142568	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+ACN+Na"	64.015768
"1232185"	376.079168	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+ACN+Na"	64.015768
"1714507"	376.102693	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+NH4+HCOOH"	64.039293
"1180591"	127.010351333333	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+3Na"	68.967654
"1660694"	381.058088	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Na+HCOOH"	68.994688
"168649"	701.04584	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+2K-H"	76.91904
"609302"	1013.10924	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+2K-H"	76.91904
"1097095"	388.98244	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2K-H"	76.91904
"148444"	351.026558	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"2M+2K"	77.926316
"591287"	507.058258	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"3M+2K"	77.926316
"1083213"	194.994858	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2K"	77.926316
"1114480"	390.996992	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2K+H"	78.933592
"1346489"	391.084607	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+DMSO+H"	79.021207
"1019394"	395.123776	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2ACN+H"	83.060376
"1535332"	396.117408	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+IsoProp+Na+H"	84.054008
"993033"	198.065526	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+2ACN+2H"	84.067652
"1587535"	397.032028	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+K+HCOOH"	84.968628
"1415385"	427.063538	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+H+CF3COOH"	115.000138
"1147498"	218.578801	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+3ACN+2H"	125.094202
"1701789"	444.090085	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+NH4+CF3COOH"	132.026685
"1639626"	449.04548	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+Na+CF3COOH"	136.98208
"1579652"	465.01942	"C06800"	"Aflatoxin B1"	"C17H12O6"	"312.0634"	"M+K+CF3COOH"	152.95602
"814761"	472.1006	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M"	0
"983553"	453.08221	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-H2O-H"	-19.01839
"69608"	313.726457333333	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M-3H"	-3.021828
"513542"	471.093324	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M-3H"	-3.021828
"885876"	156.359590666667	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-3H"	-3.021828
"2263"	471.093324	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M-2H"	-2.014552
"453129"	707.143624	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M-2H"	-2.014552
"830931"	235.043024	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-2H"	-2.014552
"87275"	943.193924	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M-H"	-1.007276
"525742"	1415.294524	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M-H"	-1.007276
"898076"	471.093324	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-H"	-1.007276
"47628"	960.220471	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M-2H+NH4"	16.019271
"490913"	1432.321071	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M-2H+NH4"	16.019271
"867622"	488.119871	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-2H+NH4"	16.019271
"34429"	965.175866	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M-2H+Na"	20.974666
"475083"	1437.276466	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M-2H+Na"	20.974666
"851796"	493.075266	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-2H+Na"	20.974666
"1628984"	493.075266	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Na-2H"	20.974666
"96765"	489.081663	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M-H+Cl"	33.962126
"539606"	725.131963	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M-H+Cl"	33.962126
"933120"	253.031363	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-H+Cl"	33.962126
"268518"	979.170602	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+Cl"	34.969402
"660939"	1451.271202	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+Cl"	34.969402
"1274311"	507.070002	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Cl"	34.969402
"16621"	981.149806	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M-2H+K"	36.948606
"456429"	1453.250406	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M-2H+K"	36.948606
"834229"	509.049206	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-2H+K"	36.948606
"1556986"	509.049206	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+K-2H"	36.948606
"948880"	517.098794	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-H+HCOOH"	44.998194
"361475"	989.199401	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+HCOOH-H"	44.998201
"346114"	1003.215051	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+Hac-H"	59.013851
"1494710"	531.114451	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Hac-H"	59.013851
"960427"	539.080751	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-H+NaCOOH"	66.980151
"112612"	507.070002	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+2Cl"	69.938804
"552551"	743.120302	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+2Cl"	69.938804
"1022927"	271.019702	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2Cl"	69.938804
"1242754"	551.019485	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Br"	78.918885
"1308849"	553.075472	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Cl+HCOOH"	80.974872
"1324157"	575.057429	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Cl+NaCOOH"	102.956829
"913392"	585.086186	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M-H+CF3COOH"	112.985586
"1289736"	621.062864	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Cl+CF3COOH"	148.962264
"1368632"	437.087924	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H-2H2O"	-35.012676
"1382885"	455.0979	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H-H2O"	-17.0027
"283381"	945.208476	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+H"	1.007276
"676772"	1417.309076	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+H"	1.007276
"1351359"	473.107876	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H"	1.007276
"125843"	473.107876	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+2H"	2.014552
"565933"	709.158176	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+2H"	2.014552
"1037772"	237.057576	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2H"	2.014552
"204698"	315.741009333333	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+3H"	3.021828
"645594"	473.107876	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+3H"	3.021828
"1163352"	158.374142666667	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+3H"	3.021828
"425778"	962.235023	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+NH4"	18.033823
"787136"	1434.335623	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+NH4"	18.033823
"1683102"	490.134423	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+NH4"	18.033823
"330769"	481.6211495	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+H+NH4"	19.041099
"724895"	717.6714495	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+H+NH4"	19.041099
"1477988"	245.5708495	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H+NH4"	19.041099
"395583"	967.190418	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+Na"	22.989218
"756216"	1439.291018	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+Na"	22.989218
"1603340"	495.089818	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Na"	22.989218
"315446"	484.098847	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+H+Na"	23.996494
"711517"	720.149147	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+H+Na"	23.996494
"1470810"	248.048547	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H+Na"	23.996494
"1065152"	165.701456666667	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2H+Na"	25.00377
"1269746"	505.134086	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+CH3OH+H"	33.033486
"389780"	983.164358	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+K"	38.963158
"751503"	1455.264958	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+K"	38.963158
"1547366"	511.063758	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+K"	38.963158
"308916"	492.085817	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+H+K"	39.970434
"700239"	728.136117	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+H+K"	39.970434
"1458440"	256.035517	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H+K"	39.970434
"244853"	986.235026	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+ACN+H"	42.033826
"1217561"	514.134426	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+ACN+H"	42.033826
"1204725"	257.570851	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+ACN+2H"	43.041102
"199786"	989.17236	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+2Na-H"	44.97116
"639346"	1461.27296	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+2Na-H"	44.97116
"1136291"	517.07176	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2Na-H"	44.97116
"182136"	495.089818	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+2Na"	45.978436
"620237"	731.140118	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+2Na"	45.978436
"1122645"	259.039518	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2Na"	45.978436
"1405077"	173.028770666667	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H+2Na"	46.985712
"1435005"	519.113346	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H+HCOOH"	47.012746
"223607"	500.12284	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+3H2O+2H"	56.04448
"1509724"	533.16539	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+IsoProp+H"	61.06479
"412447"	503.076788	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+Na+K"	61.952376
"773442"	739.127088	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+Na+K"	61.952376
"1667586"	267.026488	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Na+K"	61.952376
"260681"	1008.216968	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+ACN+Na"	64.015768
"1233389"	536.116368	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+ACN+Na"	64.015768
"1713887"	536.139893	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+NH4+HCOOH"	64.039293
"1181068"	180.356084666667	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+3Na"	68.967654
"1665179"	541.095288	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Na+HCOOH"	68.994688
"166573"	1021.12024	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+2K-H"	76.91904
"609412"	1493.22084	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+2K-H"	76.91904
"1095018"	549.01964	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2K-H"	76.91904
"148554"	511.063758	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"2M+2K"	77.926316
"590303"	747.114058	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"3M+2K"	77.926316
"1075909"	275.013458	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2K"	77.926316
"1110213"	551.034192	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2K+H"	78.933592
"1344411"	551.121807	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+DMSO+H"	79.021207
"1017317"	555.160976	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2ACN+H"	83.060376
"1532163"	556.154608	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+IsoProp+Na+H"	84.054008
"990593"	278.084126	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+2ACN+2H"	84.067652
"1587198"	557.069228	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+K+HCOOH"	84.968628
"1415495"	587.100738	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+H+CF3COOH"	115.000138
"1149795"	298.597401	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+3ACN+2H"	125.094202
"1704086"	604.127285	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+NH4+CF3COOH"	132.026685
"1639736"	609.08268	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+Na+CF3COOH"	136.98208
"1579762"	625.05662	"C06801"	"Tetracenomycin C"	"C23H20O11"	"472.1006"	"M+K+CF3COOH"	152.95602
"815963"	645.248	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M"	0
"985486"	626.22961	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-H2O-H"	-19.01839
"69718"	429.158057333333	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M-3H"	-3.021828
"513652"	644.240724	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M-3H"	-3.021828
"885986"	214.075390666667	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-3H"	-3.021828
"2373"	644.240724	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M-2H"	-2.014552
"453603"	966.864724	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M-2H"	-2.014552
"830312"	321.616724	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-2H"	-2.014552
"87385"	1289.488724	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M-H"	-1.007276
"526946"	1934.736724	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M-H"	-1.007276
"901466"	644.240724	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-H"	-1.007276
"51464"	1306.515271	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M-2H+NH4"	16.019271
"493210"	1951.763271	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M-2H+NH4"	16.019271
"871012"	661.267271	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-2H+NH4"	16.019271
"40006"	1311.470666	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M-2H+Na"	20.974666
"477380"	1956.718666	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M-2H+Na"	20.974666
"855187"	666.222666	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-2H+Na"	20.974666
"1631282"	666.222666	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Na-2H"	20.974666
"102343"	662.229063	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M-H+Cl"	33.962126
"542996"	984.853063	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M-H+Cl"	33.962126
"932136"	339.605063	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-H+Cl"	33.962126
"269235"	1325.465402	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+Cl"	34.969402
"662144"	1970.713402	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+Cl"	34.969402
"1273691"	680.217402	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Cl"	34.969402
"18069"	1327.444606	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M-2H+K"	36.948606
"457633"	1972.692606	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M-2H+K"	36.948606
"834704"	682.196606	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-2H+K"	36.948606
"1561108"	682.196606	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+K-2H"	36.948606
"948991"	690.246194	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-H+HCOOH"	44.998194
"362343"	1335.494201	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+HCOOH-H"	44.998201
"346224"	1349.509851	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+Hac-H"	59.013851
"1494453"	704.261851	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Hac-H"	59.013851
"961265"	712.228151	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-H+NaCOOH"	66.980151
"111385"	680.217402	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+2Cl"	69.938804
"551931"	1002.841402	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+2Cl"	69.938804
"1023280"	357.593402	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2Cl"	69.938804
"1248698"	724.166885	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Br"	78.918885
"1305676"	726.222872	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Cl+HCOOH"	80.974872
"1321711"	748.204829	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Cl+NaCOOH"	102.956829
"913865"	758.233586	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M-H+CF3COOH"	112.985586
"1292031"	794.210264	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Cl+CF3COOH"	148.962264
"1373482"	610.235324	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H-2H2O"	-35.012676
"1385509"	628.2453	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H-H2O"	-17.0027
"284101"	1291.503276	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+H"	1.007276
"677610"	1936.751276	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+H"	1.007276
"1352134"	646.255276	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H"	1.007276
"125750"	646.255276	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+2H"	2.014552
"567144"	968.879276	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+2H"	2.014552
"1037881"	323.631276	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2H"	2.014552
"205537"	431.172609333333	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+3H"	3.021828
"645583"	646.255276	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+3H"	3.021828
"1164803"	216.089942666667	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+3H"	3.021828
"426981"	1308.529823	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+NH4"	18.033823
"787249"	1953.777823	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+NH4"	18.033823
"1683214"	663.281823	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+NH4"	18.033823
"330882"	654.7685495	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+H+NH4"	19.041099
"723301"	977.3925495	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+H+NH4"	19.041099
"1477140"	332.1445495	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H+NH4"	19.041099
"393253"	1313.485218	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+Na"	22.989218
"755721"	1958.733218	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+Na"	22.989218
"1603696"	668.237218	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Na"	22.989218
"315559"	657.246247	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+H+Na"	23.996494
"713815"	979.870247	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+H+Na"	23.996494
"1476026"	334.622247	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H+Na"	23.996494
"1066721"	223.417256666667	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2H+Na"	25.00377
"1269856"	678.281486	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+CH3OH+H"	33.033486
"387706"	1329.459158	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+K"	38.963158
"752709"	1974.707158	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+K"	38.963158
"1551853"	684.211158	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+K"	38.963158
"312798"	665.233217	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+H+K"	39.970434
"702177"	987.857217	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+H+K"	39.970434
"1458186"	342.609217	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H+K"	39.970434
"241683"	1332.529826	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+ACN+H"	42.033826
"1216578"	687.281826	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+ACN+H"	42.033826
"1204835"	344.144551	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+ACN+2H"	43.041102
"198802"	1335.46716	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+2Na-H"	44.97116
"640551"	1980.71516	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+2Na-H"	44.97116
"1144057"	690.21916	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2Na-H"	44.97116
"184433"	668.237218	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+2Na"	45.978436
"623264"	990.861218	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+2Na"	45.978436
"1123852"	345.613218	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2Na"	45.978436
"1403001"	230.744570666667	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H+2Na"	46.985712
"1435116"	692.260746	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H+HCOOH"	47.012746
"230644"	673.27024	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+3H2O+2H"	56.04448
"1512872"	706.31279	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+IsoProp+H"	61.06479
"411465"	676.224188	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+Na+K"	61.952376
"770515"	998.848188	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+Na+K"	61.952376
"1667699"	353.600188	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Na+K"	61.952376
"260791"	1354.511768	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+ACN+Na"	64.015768
"1232405"	709.263768	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+ACN+Na"	64.015768
"1712822"	709.287293	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+NH4+HCOOH"	64.039293
"1183364"	238.071884666667	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+3Na"	68.967654
"1664194"	714.242688	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Na+HCOOH"	68.994688
"169963"	1367.41504	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+2K-H"	76.91904
"606242"	2012.66304	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+2K-H"	76.91904
"1092941"	722.16704	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2K-H"	76.91904
"149757"	684.211158	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"2M+2K"	77.926316
"586037"	1006.835158	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"3M+2K"	77.926316
"1076020"	361.587158	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2K"	77.926316
"1109228"	724.181592	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2K+H"	78.933592
"1343427"	724.269207	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+DMSO+H"	79.021207
"1019250"	728.308376	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2ACN+H"	83.060376
"1527900"	729.302008	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+IsoProp+Na+H"	84.054008
"990460"	364.657826	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+2ACN+2H"	84.067652
"1587758"	730.216628	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+K+HCOOH"	84.968628
"1416702"	760.248138	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+H+CF3COOH"	115.000138
"1149177"	385.171101	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+3ACN+2H"	125.094202
"1710757"	777.274685	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+NH4+CF3COOH"	132.026685
"1642033"	782.23008	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+Na+CF3COOH"	136.98208
"1579872"	798.20402	"C06802"	"Acarbose"	"C25H43NO18"	"645.248"	"M+K+CF3COOH"	152.95602
"814615"	336.2049	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M"	0
"985960"	317.18651	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-H2O-H"	-19.01839
"63388"	223.129324	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M-3H"	-3.021828
"503921"	335.197624	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M-3H"	-3.021828
"880383"	111.061024	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-3H"	-3.021828
"1024"	335.197624	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M-2H"	-2.014552
"450798"	503.300074	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M-2H"	-2.014552
"826412"	167.095174	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-2H"	-2.014552
"88588"	671.402524	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M-H"	-1.007276
"527054"	1007.607424	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M-H"	-1.007276
"899388"	335.197624	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-H"	-1.007276
"52667"	688.429071	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M-2H+NH4"	16.019271
"494413"	1024.633971	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M-2H+NH4"	16.019271
"873309"	352.224171	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-2H+NH4"	16.019271
"40116"	693.384466	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M-2H+Na"	20.974666
"478584"	1029.589366	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M-2H+Na"	20.974666
"858577"	357.179566	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-2H+Na"	20.974666
"1630297"	357.179566	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Na-2H"	20.974666
"104640"	353.185963	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M-H+Cl"	33.962126
"543106"	521.288413	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M-H+Cl"	33.962126
"932246"	185.083513	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-H+Cl"	33.962126
"270074"	707.379202	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+Cl"	34.969402
"663227"	1043.584102	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+Cl"	34.969402
"1275626"	371.174302	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Cl"	34.969402
"18180"	709.358406	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M-2H+K"	36.948606
"459930"	1045.563306	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M-2H+K"	36.948606
"836636"	373.153506	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-2H+K"	36.948606
"1563405"	373.153506	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+K-2H"	36.948606
"950195"	381.203094	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-H+HCOOH"	44.998194
"363062"	717.408001	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+HCOOH-H"	44.998201
"349011"	731.423651	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+Hac-H"	59.013851
"1499303"	395.218751	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Hac-H"	59.013851
"960646"	403.185051	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-H+NaCOOH"	66.980151
"112104"	371.174302	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+2Cl"	69.938804
"551312"	539.276752	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+2Cl"	69.938804
"1023025"	203.071852	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2Cl"	69.938804
"1241877"	415.123785	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Br"	78.918885
"1306515"	417.179772	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Cl+HCOOH"	80.974872
"1321093"	439.161729	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Cl+NaCOOH"	102.956829
"914703"	449.190486	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M-H+CF3COOH"	112.985586
"1291412"	485.167164	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Cl+CF3COOH"	148.962264
"1372863"	301.192224	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H-2H2O"	-35.012676
"1383067"	319.2022	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H-H2O"	-17.0027
"283483"	673.417076	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+H"	1.007276
"676742"	1009.621976	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+H"	1.007276
"1352241"	337.212176	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H"	1.007276
"127193"	337.212176	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+2H"	2.014552
"567983"	505.314626	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+2H"	2.014552
"1037750"	169.109726	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2H"	2.014552
"205405"	225.143876	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+3H"	3.021828
"646788"	337.212176	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+3H"	3.021828
"1165642"	113.075576	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+3H"	3.021828
"427091"	690.443623	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+NH4"	18.033823
"788088"	1026.648523	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+NH4"	18.033823
"1684055"	354.238723	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+NH4"	18.033823
"332331"	345.7254495	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+H+NH4"	19.041099
"725117"	513.8278995	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+H+NH4"	19.041099
"1477357"	177.6229995	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H+NH4"	19.041099
"393246"	695.399018	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+Na"	22.989218
"754494"	1031.603918	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+Na"	22.989218
"1603805"	359.194118	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Na"	22.989218
"316393"	348.203147	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+H+Na"	23.996494
"709550"	516.305597	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+H+Na"	23.996494
"1473216"	180.100697	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H+Na"	23.996494
"1064280"	120.40289	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2H+Na"	25.00377
"1270328"	369.238386	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+CH3OH+H"	33.033486
"385630"	711.372958	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+K"	38.963158
"749903"	1047.577858	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+K"	38.963158
"1554149"	375.168058	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+K"	38.963158
"312912"	356.190117	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+H+K"	39.970434
"703744"	524.292567	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+H+K"	39.970434
"1456838"	188.087667	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H+K"	39.970434
"241793"	714.443626	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+ACN+H"	42.033826
"1215594"	378.238726	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+ACN+H"	42.033826
"1201665"	189.623001	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+ACN+2H"	43.041102
"201098"	717.38096	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+2Na-H"	44.97116
"641754"	1053.58586	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+2Na-H"	44.97116
"1144896"	381.17606	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2Na-H"	44.97116
"183084"	359.194118	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+2Na"	45.978436
"625925"	527.296568	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+2Na"	45.978436
"1129065"	191.091668	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2Na"	45.978436
"1404204"	127.730204	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H+2Na"	46.985712
"1438506"	383.217646	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H+HCOOH"	47.012746
"232577"	364.22714	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+3H2O+2H"	56.04448
"1515170"	397.26969	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+IsoProp+H"	61.06479
"412668"	367.181088	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+Na+K"	61.952376
"774757"	535.283538	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+Na+K"	61.952376
"1668171"	199.078638	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Na+K"	61.952376
"252513"	736.425568	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+ACN+Na"	64.015768
"1226314"	400.220668	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+ACN+Na"	64.015768
"1713368"	400.244193	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+NH4+HCOOH"	64.039293
"1182381"	135.057518	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+3Na"	68.967654
"1654463"	405.199588	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Na+HCOOH"	68.994688
"162417"	749.32884	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+2K-H"	76.91904
"604165"	1085.53374	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+2K-H"	76.91904
"1090865"	413.12394	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2K-H"	76.91904
"152054"	375.168058	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"2M+2K"	77.926316
"585418"	543.270508	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"3M+2K"	77.926316
"1077223"	207.065608	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2K"	77.926316
"1106058"	415.138492	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2K+H"	78.933592
"1340256"	415.226107	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+DMSO+H"	79.021207
"1013161"	419.265276	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2ACN+H"	83.060376
"1528009"	420.258908	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+IsoProp+Na+H"	84.054008
"990811"	210.136276	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+2ACN+2H"	84.067652
"1588965"	421.173528	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+K+HCOOH"	84.968628
"1416082"	451.205038	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+H+CF3COOH"	115.000138
"1153662"	230.649551	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+3ACN+2H"	125.094202
"1710867"	468.231585	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+NH4+CF3COOH"	132.026685
"1642143"	473.18698	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+Na+CF3COOH"	136.98208
"1579982"	489.16092	"C06803"	"Acebutolol"	"C18H28N2O4"	"336.2049"	"M+K+CF3COOH"	152.95602
"810350"	151.0633	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M"	0
"984977"	132.04491	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"65562"	99.7015906666667	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"505124"	150.056024	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"881829"	49.3471573333333	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"2591"	150.056024	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"450905"	225.587674	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"826521"	74.524374	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"83229"	301.119324	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"521697"	452.182624	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"899495"	150.056024	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"50954"	318.145871	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"489418"	469.209171	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"869045"	167.082571	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"34390"	323.101266	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"475048"	474.164566	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"855407"	172.037966	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1629314"	172.037966	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"97095"	168.044363	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"537018"	243.576013	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"929071"	92.512713	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"269817"	337.096002	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"662727"	488.159302	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1273911"	186.032702	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"16950"	339.075206	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"455980"	490.138506	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"833458"	188.011906	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1555854"	188.011906	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"944472"	196.061494	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"361641"	347.124801	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"346119"	361.140451	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1495401"	210.077151	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"959051"	218.043451	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"110633"	186.032702	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"552879"	261.564352	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1022771"	110.501052	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1242595"	229.982185	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1305772"	232.038172	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1323027"	254.020129	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"915912"	264.048886	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1291523"	300.025564	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1368598"	116.050624	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1383779"	134.0606	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"283953"	303.133876	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"675770"	454.197176	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1351660"	152.070576	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"126335"	152.070576	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"565936"	227.602226	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1037160"	76.538926	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"204541"	101.716142666667	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"645072"	152.070576	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1163441"	51.3617093333333	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"426836"	320.160423	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"786375"	471.223723	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1683069"	169.097123	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"332078"	160.5838495	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"724865"	236.1154995	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1477590"	85.0521995	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"392907"	325.115818	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"755575"	476.179118	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1603915"	174.052518	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"314387"	163.061547	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"708931"	238.593197	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1466766"	87.529897	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1062200"	58.6890233333333	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1269344"	184.096786	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"389018"	341.089758	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"747826"	492.153058	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1549883"	190.026458	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"313870"	171.048517	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"703854"	246.580167	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1452206"	95.516867	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"242994"	344.160426	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1213882"	193.097126	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1201775"	97.052201	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"200114"	347.09776	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"642592"	498.16106	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1142089"	196.03446	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"183194"	174.052518	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"626036"	249.584168	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1129175"	98.520868	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1403221"	66.0163373333333	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1438616"	198.076046	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"230500"	179.08554	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1515280"	212.12809	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"412778"	182.039488	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"772679"	257.571138	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1669009"	106.507838	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"252258"	366.142368	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1227151"	215.079068	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1713236"	215.102593	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1182491"	73.3436513333333	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1657853"	220.057988	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"161433"	379.04564	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"605368"	530.10894	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1094256"	227.98234	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"149977"	190.026458	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"584433"	265.558108	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1078427"	114.494808	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1109448"	229.996892	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1346927"	230.084507	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1015459"	234.123676	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1528120"	235.117308	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"990556"	117.565476	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1587250"	236.031928	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1416922"	266.063438	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1154864"	138.078751	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1710977"	283.089985	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1645533"	288.04538	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1580092"	304.01932	"C06804"	"Acetaminophen;Paracetamol"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"810460"	221.9881	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M"	0
"985087"	202.96971	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-H2O-H"	-19.01839
"66765"	146.984790666667	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M-3H"	-3.021828
"506327"	220.980824	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M-3H"	-3.021828
"882303"	72.9887573333333	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-3H"	-3.021828
"4887"	220.980824	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M-2H"	-2.014552
"447732"	331.974874	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M-2H"	-2.014552
"824442"	109.986774	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-2H"	-2.014552
"82246"	442.968924	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M-H"	-1.007276
"525087"	664.957024	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M-H"	-1.007276
"898876"	220.980824	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-H"	-1.007276
"49606"	459.995471	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M-2H+NH4"	16.019271
"489165"	681.983571	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M-2H+NH4"	16.019271
"866603"	238.007371	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-2H+NH4"	16.019271
"32317"	464.950866	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M-2H+Na"	20.974666
"478804"	686.938966	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M-2H+Na"	20.974666
"855517"	242.962766	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-2H+Na"	20.974666
"1629424"	242.962766	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Na-2H"	20.974666
"97205"	238.969163	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M-H+Cl"	33.962126
"536035"	349.963213	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M-H+Cl"	33.962126
"929184"	127.975113	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-H+Cl"	33.962126
"271020"	478.945602	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+Cl"	34.969402
"663809"	700.933702	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+Cl"	34.969402
"1273658"	256.957502	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Cl"	34.969402
"17672"	480.924806	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M-2H+K"	36.948606
"458327"	702.912906	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M-2H+K"	36.948606
"837954"	258.936706	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-2H+K"	36.948606
"1561440"	258.936706	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+K-2H"	36.948606
"944341"	266.986294	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-H+HCOOH"	44.998194
"361481"	488.974401	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+HCOOH-H"	44.998201
"345801"	502.990051	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+Hac-H"	59.013851
"1494783"	281.001951	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Hac-H"	59.013851
"959408"	288.968251	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-H+NaCOOH"	66.980151
"110622"	256.957502	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+2Cl"	69.938804
"551888"	367.951552	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+2Cl"	69.938804
"1021858"	145.963452	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2Cl"	69.938804
"1243920"	300.906985	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Br"	78.918885
"1304301"	302.962972	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Cl+HCOOH"	80.974872
"1323503"	324.944929	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Cl+NaCOOH"	102.956829
"915290"	334.973686	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M-H+CF3COOH"	112.985586
"1290539"	370.950364	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Cl+CF3COOH"	148.962264
"1370165"	186.975424	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H-2H2O"	-35.012676
"1382954"	204.9854	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H-H2O"	-17.0027
"283452"	444.983476	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+H"	1.007276
"676234"	666.971576	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+H"	1.007276
"1351340"	222.995376	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H"	1.007276
"126201"	222.995376	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+2H"	2.014552
"566250"	333.989426	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+2H"	2.014552
"1037477"	112.001326	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2H"	2.014552
"204529"	148.999342666667	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+3H"	3.021828
"644942"	222.995376	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+3H"	3.021828
"1163314"	75.0033093333333	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+3H"	3.021828
"426584"	462.010023	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+NH4"	18.033823
"786852"	683.998123	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+NH4"	18.033823
"1682817"	240.021923	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+NH4"	18.033823
"331096"	231.5086495	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+H+NH4"	19.041099
"723072"	342.5026995	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+H+NH4"	19.041099
"1477334"	120.5145995	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H+NH4"	19.041099
"392944"	466.965418	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+Na"	22.989218
"756171"	688.953518	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+Na"	22.989218
"1604026"	244.977318	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Na"	22.989218
"314306"	233.986347	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+H+Na"	23.996494
"709041"	344.980397	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+H+Na"	23.996494
"1470156"	122.992297	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H+Na"	23.996494
"1062310"	82.3306233333333	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2H+Na"	25.00377
"1268361"	255.021586	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+CH3OH+H"	33.033486
"390221"	482.939358	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+K"	38.963158
"750122"	704.927458	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+K"	38.963158
"1546714"	260.951258	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+K"	38.963158
"307168"	241.973317	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+H+K"	39.970434
"702871"	352.967367	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+H+K"	39.970434
"1451223"	130.979267	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H+K"	39.970434
"244197"	486.010026	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+ACN+H"	42.033826
"1214721"	264.021926	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+ACN+H"	42.033826
"1201885"	132.514601	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+ACN+2H"	43.041102
"201683"	488.94736	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+2Na-H"	44.97116
"641244"	710.93546	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+2Na-H"	44.97116
"1142564"	266.95926	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2Na-H"	44.97116
"182212"	244.977318	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+2Na"	45.978436
"622865"	355.971368	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+2Na"	45.978436
"1129649"	133.983268	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2Na"	45.978436
"1404425"	89.6579373333333	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H+2Na"	46.985712
"1440914"	269.000846	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H+HCOOH"	47.012746
"225143"	250.01034	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+3H2O+2H"	56.04448
"1513203"	283.05289	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+IsoProp+H"	61.06479
"413983"	252.964288	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+Na+K"	61.952376
"774249"	363.958338	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+Na+K"	61.952376
"1668394"	141.970238	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Na+K"	61.952376
"252847"	507.991968	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+ACN+Na"	64.015768
"1227989"	286.003868	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+ACN+Na"	64.015768
"1713224"	286.027393	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+NH4+HCOOH"	64.039293
"1183694"	96.9852513333333	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+3Na"	68.967654
"1655776"	290.982788	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Na+HCOOH"	68.994688
"160449"	520.89524	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+2K-H"	76.91904
"603291"	742.88334	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+2K-H"	76.91904
"1097646"	298.90714	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2K-H"	76.91904
"146807"	260.951258	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"2M+2K"	77.926316
"586368"	371.945308	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"3M+2K"	77.926316
"1074161"	149.957208	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2K"	77.926316
"1109560"	300.921692	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2K+H"	78.933592
"1343756"	301.009307	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+DMSO+H"	79.021207
"1011191"	305.048476	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2ACN+H"	83.060376
"1533696"	306.042108	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+IsoProp+Na+H"	84.054008
"990178"	153.027876	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+2ACN+2H"	84.067652
"1588210"	306.956728	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+K+HCOOH"	84.968628
"1417030"	336.988238	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+H+CF3COOH"	115.000138
"1149505"	173.541151	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+3ACN+2H"	125.094202
"1711088"	354.014785	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+NH4+CF3COOH"	132.026685
"1642363"	358.97018	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+Na+CF3COOH"	136.98208
"1580202"	374.94412	"C06805"	"Acetazolamide"	"C4H6N4O3S2"	"221.9881"	"M+K+CF3COOH"	152.95602
"810570"	324.1144	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M"	0
"984103"	305.09601	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-H2O-H"	-19.01839
"65053"	215.068990666667	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M-3H"	-3.021828
"506437"	323.107124	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M-3H"	-3.021828
"880590"	107.030857333333	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-3H"	-3.021828
"3175"	323.107124	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M-2H"	-2.014552
"447842"	485.164324	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M-2H"	-2.014552
"823457"	161.049924	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-2H"	-2.014552
"81262"	647.221524	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M-H"	-1.007276
"523010"	971.335924	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M-H"	-1.007276
"896230"	323.107124	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-H"	-1.007276
"48622"	664.248071	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M-2H+NH4"	16.019271
"487450"	988.362471	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M-2H+NH4"	16.019271
"865619"	340.133671	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-2H+NH4"	16.019271
"32792"	669.203466	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M-2H+Na"	20.974666
"475634"	993.317866	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M-2H+Na"	20.974666
"853441"	345.089066	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-2H+Na"	20.974666
"1624068"	345.089066	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Na-2H"	20.974666
"98408"	341.095463	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M-H+Cl"	33.962126
"536509"	503.152663	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M-H+Cl"	33.962126
"927835"	179.038263	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-H+Cl"	33.962126
"267398"	683.198202	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+Cl"	34.969402
"662097"	1007.312602	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+Cl"	34.969402
"1273403"	359.083802	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Cl"	34.969402
"16688"	685.177406	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M-2H+K"	36.948606
"456491"	1009.291806	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M-2H+K"	36.948606
"834053"	361.063006	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-2H+K"	36.948606
"1558635"	361.063006	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+K-2H"	36.948606
"947248"	369.112594	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-H+HCOOH"	44.998194
"362055"	693.227001	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+HCOOH-H"	44.998201
"345934"	707.242651	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+Hac-H"	59.013851
"1494163"	383.128251	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Hac-H"	59.013851
"958564"	391.094551	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-H+NaCOOH"	66.980151
"112437"	359.083802	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+2Cl"	69.938804
"553091"	521.141002	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+2Cl"	69.938804
"1021848"	197.026602	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2Cl"	69.938804
"1243301"	403.033285	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Br"	78.918885
"1304685"	405.089272	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Cl+HCOOH"	80.974872
"1323613"	427.071229	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Cl+NaCOOH"	102.956829
"913944"	437.099986	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M-H+CF3COOH"	112.985586
"1290649"	473.076664	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Cl+CF3COOH"	148.962264
"1369547"	289.101724	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H-2H2O"	-35.012676
"1382944"	307.1117	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H-H2O"	-17.0027
"283806"	649.236076	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+H"	1.007276
"676099"	973.350476	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+H"	1.007276
"1352083"	325.121676	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H"	1.007276
"125950"	325.121676	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+2H"	2.014552
"566115"	487.178876	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+2H"	2.014552
"1037118"	163.064476	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2H"	2.014552
"204647"	217.083542666667	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+3H"	3.021828
"644934"	325.121676	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+3H"	3.021828
"1164882"	109.045409333333	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+3H"	3.021828
"425603"	666.262623	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+NH4"	18.033823
"786961"	990.377023	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+NH4"	18.033823
"1683291"	342.148223	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+NH4"	18.033823
"335579"	333.6349495	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+H+NH4"	19.041099
"725816"	495.6921495	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+H+NH4"	19.041099
"1477361"	171.5777495	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H+NH4"	19.041099
"393210"	671.218018	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+Na"	22.989218
"757496"	995.332418	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+Na"	22.989218
"1604501"	347.103618	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Na"	22.989218
"314530"	336.112647	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+H+Na"	23.996494
"708057"	498.169847	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+H+Na"	23.996494
"1469173"	174.055447	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H+Na"	23.996494
"1061327"	116.372723333333	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2H+Na"	25.00377
"1265190"	357.147886	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+CH3OH+H"	33.033486
"389238"	687.191958	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+K"	38.963158
"750235"	1011.306358	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+K"	38.963158
"1546823"	363.077558	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+K"	38.963158
"305091"	344.099617	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+H+K"	39.970434
"698605"	506.156817	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+H+K"	39.970434
"1451333"	182.042417	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H+K"	39.970434
"243213"	690.262626	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+ACN+H"	42.033826
"1215924"	366.148226	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+ACN+H"	42.033826
"1201995"	183.577751	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+ACN+2H"	43.041102
"201793"	693.19996	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+2Na-H"	44.97116
"643058"	1017.31436	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+2Na-H"	44.97116
"1141946"	369.08556	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2Na-H"	44.97116
"180499"	347.103618	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+2Na"	45.978436
"622975"	509.160818	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+2Na"	45.978436
"1127571"	185.046418	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2Na"	45.978436
"1407814"	123.700037333333	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H+2Na"	46.985712
"1436650"	371.127146	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H+HCOOH"	47.012746
"227439"	352.13664	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+3H2O+2H"	56.04448
"1517687"	385.17919	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+IsoProp+H"	61.06479
"412270"	355.090588	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+Na+K"	61.952376
"770389"	517.147788	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+Na+K"	61.952376
"1667045"	193.033388	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Na+K"	61.952376
"251415"	712.244568	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+ACN+Na"	64.015768
"1227733"	388.130168	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+ACN+Na"	64.015768
"1712970"	388.153693	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+NH4+HCOOH"	64.039293
"1178697"	131.027351333333	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+3Na"	68.967654
"1654793"	393.109088	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Na+HCOOH"	68.994688
"159951"	725.14784	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+2K-H"	76.91904
"602308"	1049.26224	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+2K-H"	76.91904
"1093382"	401.03344	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2K-H"	76.91904
"145457"	363.077558	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"2M+2K"	77.926316
"585384"	525.134758	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"3M+2K"	77.926316
"1077551"	201.020358	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2K"	77.926316
"1106388"	403.047992	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2K+H"	78.933592
"1340585"	403.135607	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+DMSO+H"	79.021207
"1009115"	407.174776	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2ACN+H"	83.060376
"1534898"	408.168408	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+IsoProp+Na+H"	84.054008
"994787"	204.091026	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+2ACN+2H"	84.067652
"1587832"	409.083028	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+K+HCOOH"	84.968628
"1417140"	439.114538	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+H+CF3COOH"	115.000138
"1149615"	224.604301	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+3ACN+2H"	125.094202
"1710105"	456.141085	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+NH4+CF3COOH"	132.026685
"1642473"	461.09648	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+Na+CF3COOH"	136.98208
"1580312"	477.07042	"C06806"	"Acetohexamide"	"C15H20N2O4S"	"324.1144"	"M+K+CF3COOH"	152.95602
"810680"	411.198	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M"	0
"982026"	392.17961	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-H2O-H"	-19.01839
"64434"	273.124724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M-3H"	-3.021828
"505454"	410.190724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M-3H"	-3.021828
"880699"	136.058724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-3H"	-3.021828
"1461"	410.190724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M-2H"	-2.014552
"446859"	615.789724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M-2H"	-2.014552
"820284"	204.591724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-2H"	-2.014552
"80401"	821.388724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M-H"	-1.007276
"522027"	1232.586724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M-H"	-1.007276
"895930"	410.190724	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-H"	-1.007276
"47758"	838.415271	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M-2H+NH4"	16.019271
"488167"	1249.613271	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M-2H+NH4"	16.019271
"864876"	427.217271	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-2H+NH4"	16.019271
"31930"	843.370666	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M-2H+Na"	20.974666
"473558"	1254.568666	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M-2H+Na"	20.974666
"850633"	432.172666	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-2H+Na"	20.974666
"1625271"	432.172666	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Na-2H"	20.974666
"97058"	428.179063	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M-H+Cl"	33.962126
"535160"	633.778063	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M-H+Cl"	33.962126
"931591"	222.580063	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-H+Cl"	33.962126
"269055"	857.365402	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+Cl"	34.969402
"660504"	1268.563402	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+Cl"	34.969402
"1273920"	446.167402	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Cl"	34.969402
"18622"	859.344606	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M-2H+K"	36.948606
"458182"	1270.542606	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M-2H+K"	36.948606
"833677"	448.146606	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-2H+K"	36.948606
"1558379"	448.146606	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+K-2H"	36.948606
"942794"	456.196194	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-H+HCOOH"	44.998194
"366665"	867.394201	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+HCOOH-H"	44.998201
"352736"	881.409851	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+Hac-H"	59.013851
"1500474"	470.211851	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Hac-H"	59.013851
"963640"	478.178151	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-H+NaCOOH"	66.980151
"114007"	446.167402	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+2Cl"	69.938804
"556483"	651.766402	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+2Cl"	69.938804
"1024190"	240.568402	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2Cl"	69.938804
"1245233"	490.116885	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Br"	78.918885
"1304396"	492.172872	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Cl+HCOOH"	80.974872
"1320349"	514.154829	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Cl+NaCOOH"	102.956829
"913323"	524.183586	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M-H+CF3COOH"	112.985586
"1288970"	560.160264	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Cl+CF3COOH"	148.962264
"1368803"	376.185324	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H-2H2O"	-35.012676
"1383171"	394.1953	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H-H2O"	-17.0027
"283309"	823.403276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+H"	1.007276
"676371"	1234.601276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+H"	1.007276
"1351501"	412.205276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H"	1.007276
"126060"	412.205276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+2H"	2.014552
"566144"	617.804276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+2H"	2.014552
"1037257"	206.606276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2H"	2.014552
"205000"	275.139276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+3H"	3.021828
"646135"	412.205276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+3H"	3.021828
"1164626"	138.073276	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+3H"	3.021828
"426806"	840.429823	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+NH4"	18.033823
"787434"	1251.627823	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+NH4"	18.033823
"1684129"	429.231823	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+NH4"	18.033823
"334600"	420.7185495	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+H+NH4"	19.041099
"728115"	626.3175495	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+H+NH4"	19.041099
"1479017"	215.1195495	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H+NH4"	19.041099
"395508"	845.385218	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+Na"	22.989218
"756391"	1256.583218	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+Na"	22.989218
"1604610"	434.187218	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Na"	22.989218
"315859"	423.196247	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+H+Na"	23.996494
"708890"	628.795247	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+H+Na"	23.996494
"1469283"	217.597247	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H+Na"	23.996494
"1060342"	145.40059	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2H+Na"	25.00377
"1260924"	444.231486	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+CH3OH+H"	33.033486
"380230"	861.359158	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+K"	38.963158
"744875"	1272.557158	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+K"	38.963158
"1548021"	450.161158	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+K"	38.963158
"307384"	431.183217	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+H+K"	39.970434
"698715"	636.782217	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+H+K"	39.970434
"1451443"	225.584217	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H+K"	39.970434
"244417"	864.429826	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+ACN+H"	42.033826
"1219311"	453.231826	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+ACN+H"	42.033826
"1202105"	227.119551	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+ACN+2H"	43.041102
"199352"	867.36716	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+2Na-H"	44.97116
"637818"	1278.56516	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+2Na-H"	44.97116
"1141328"	456.16916	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2Na-H"	44.97116
"174411"	434.187218	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+2Na"	45.978436
"613971"	639.786218	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+2Na"	45.978436
"1118932"	228.588218	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2Na"	45.978436
"1407923"	152.727904	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H+2Na"	46.985712
"1432749"	458.210746	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H+HCOOH"	47.012746
"220493"	439.22024	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+3H2O+2H"	56.04448
"1508675"	472.26279	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+IsoProp+H"	61.06479
"409336"	442.174188	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+Na+K"	61.952376
"770736"	647.773188	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+Na+K"	61.952376
"1666221"	236.575188	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Na+K"	61.952376
"251558"	886.411768	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+ACN+Na"	64.015768
"1227114"	475.213768	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+ACN+Na"	64.015768
"1713320"	475.237293	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+NH4+HCOOH"	64.039293
"1179245"	160.055218	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+3Na"	68.967654
"1650554"	480.192688	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Na+HCOOH"	68.994688
"158835"	899.31504	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+2K-H"	76.91904
"602418"	1310.51304	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+2K-H"	76.91904
"1094585"	488.11704	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2K-H"	76.91904
"144840"	450.161158	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"2M+2K"	77.926316
"585495"	655.760158	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"3M+2K"	77.926316
"1074380"	244.562158	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2K"	77.926316
"1108684"	490.131592	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2K+H"	78.933592
"1340693"	490.219207	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+DMSO+H"	79.021207
"1009224"	494.258376	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2ACN+H"	83.060376
"1528448"	495.252008	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+IsoProp+Na+H"	84.054008
"993804"	247.632826	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+2ACN+2H"	84.067652
"1587334"	496.166628	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+K+HCOOH"	84.968628
"1416157"	526.198138	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+H+CF3COOH"	115.000138
"1149725"	268.146101	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+3ACN+2H"	125.094202
"1710215"	543.224685	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+NH4+CF3COOH"	132.026685
"1642583"	548.18008	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+Na+CF3COOH"	136.98208
"1580422"	564.15402	"C06807"	"Acetophenazine"	"C23H29N3O2S"	"411.198"	"M+K+CF3COOH"	152.95602
"810790"	75.032	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M"	0
"981043"	56.01361	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-H2O-H"	-19.01839
"68190"	49.0140573333333	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M-3H"	-3.021828
"505564"	74.024724	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M-3H"	-3.021828
"881173"	24.0033906666667	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-3H"	-3.021828
"1207"	74.024724	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M-2H"	-2.014552
"446969"	111.540724	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M-2H"	-2.014552
"820030"	36.508724	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-2H"	-2.014552
"81483"	149.056724	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M-H"	-1.007276
"522137"	224.088724	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M-H"	-1.007276
"897017"	74.024724	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-H"	-1.007276
"48231"	166.083271	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M-2H+NH4"	16.019271
"488154"	241.115271	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M-2H+NH4"	16.019271
"865956"	91.051271	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-2H+NH4"	16.019271
"33011"	171.038666	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M-2H+Na"	20.974666
"473668"	246.070666	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M-2H+Na"	20.974666
"850500"	96.006666	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-2H+Na"	20.974666
"1623195"	96.006666	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Na-2H"	20.974666
"98626"	92.013063	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M-H+Cl"	33.962126
"537092"	129.529063	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M-H+Cl"	33.962126
"932794"	54.497063	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-H+Cl"	33.962126
"272445"	185.033402	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+Cl"	34.969402
"661586"	260.065402	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+Cl"	34.969402
"1273989"	110.001402	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Cl"	34.969402
"17637"	187.012606	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M-2H+K"	36.948606
"458294"	262.044606	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M-2H+K"	36.948606
"833787"	111.980606	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-2H+K"	36.948606
"1557761"	111.980606	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+K-2H"	36.948606
"945645"	120.030194	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-H+HCOOH"	44.998194
"365680"	195.062201	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+HCOOH-H"	44.998201
"351752"	209.077851	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+Hac-H"	59.013851
"1498396"	134.045851	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Hac-H"	59.013851
"961563"	142.012151	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-H+NaCOOH"	66.980151
"115939"	110.001402	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+2Cl"	69.938804
"553310"	147.517402	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+2Cl"	69.938804
"1024299"	72.485402	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2Cl"	69.938804
"1241487"	153.950885	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Br"	78.918885
"1304504"	156.006872	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Cl+HCOOH"	80.974872
"1321272"	177.988829	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Cl+NaCOOH"	102.956829
"911357"	188.017586	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M-H+CF3COOH"	112.985586
"1289045"	223.994264	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Cl+CF3COOH"	148.962264
"1369401"	40.019324	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H-2H2O"	-35.012676
"1383369"	58.0293	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H-H2O"	-17.0027
"283784"	151.071276	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+H"	1.007276
"675674"	226.103276	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+H"	1.007276
"1351323"	76.039276	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H"	1.007276
"126046"	76.039276	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+2H"	2.014552
"565973"	113.555276	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+2H"	2.014552
"1037693"	38.523276	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2H"	2.014552
"207056"	51.0286093333333	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+3H"	3.021828
"645517"	76.039276	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+3H"	3.021828
"1164009"	26.0179426666667	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+3H"	3.021828
"426183"	168.097823	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+NH4"	18.033823
"787908"	243.129823	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+NH4"	18.033823
"1683145"	93.065823	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+NH4"	18.033823
"333977"	84.5525495	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+H+NH4"	19.041099
"724577"	122.0685495	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+H+NH4"	19.041099
"1477542"	47.0365495	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H+NH4"	19.041099
"393307"	173.053218	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+Na"	22.989218
"755649"	248.085218	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+Na"	22.989218
"1603260"	98.021218	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Na"	22.989218
"314791"	87.030247	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+H+Na"	23.996494
"708028"	124.546247	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+H+Na"	23.996494
"1468299"	49.514247	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H+Na"	23.996494
"1060452"	33.3452566666667	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2H+Na"	25.00377
"1262129"	108.065486	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+CH3OH+H"	33.033486
"381798"	189.027158	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+K"	38.963158
"744982"	264.059158	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+K"	38.963158
"1548131"	113.995158	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+K"	38.963158
"305307"	95.017217	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+H+K"	39.970434
"699917"	132.533217	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+H+K"	39.970434
"1448270"	57.501217	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H+K"	39.970434
"247807"	192.097826	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+ACN+H"	42.033826
"1219421"	117.065826	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+ACN+H"	42.033826
"1200393"	59.036551	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+ACN+2H"	43.041102
"197274"	195.03516	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+2Na-H"	44.97116
"635741"	270.06716	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+2Na-H"	44.97116
"1139249"	120.00316	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2Na-H"	44.97116
"177073"	98.021218	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+2Na"	45.978436
"616268"	135.537218	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+2Na"	45.978436
"1119042"	60.505218	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2Na"	45.978436
"1404023"	40.6725706666667	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H+2Na"	46.985712
"1434316"	122.044746	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H+HCOOH"	47.012746
"220731"	103.05424	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+3H2O+2H"	56.04448
"1509275"	136.09679	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+IsoProp+H"	61.06479
"408675"	106.008188	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+Na+K"	61.952376
"770483"	143.524188	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+Na+K"	61.952376
"1666535"	68.492188	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Na+K"	61.952376
"251704"	214.079768	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+ACN+Na"	64.015768
"1227953"	139.047768	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+ACN+Na"	64.015768
"1712785"	139.071293	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+NH4+HCOOH"	64.039293
"1178985"	47.9998846666667	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+3Na"	68.967654
"1649965"	144.026688	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Na+HCOOH"	68.994688
"158945"	226.98304	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+2K-H"	76.91904
"602528"	302.01504	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+2K-H"	76.91904
"1090321"	151.95104	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2K-H"	76.91904
"144584"	113.995158	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"2M+2K"	77.926316
"586698"	151.511158	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"3M+2K"	77.926316
"1070843"	76.479158	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2K"	77.926316
"1106607"	153.965592	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2K+H"	78.933592
"1341899"	154.053207	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+DMSO+H"	79.021207
"1009336"	158.092376	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2ACN+H"	83.060376
"1529651"	159.086008	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+IsoProp+Na+H"	84.054008
"990140"	79.549826	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+2ACN+2H"	84.067652
"1587085"	160.000628	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+K+HCOOH"	84.968628
"1414323"	190.032138	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+H+CF3COOH"	115.000138
"1148741"	100.063101	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+3ACN+2H"	125.094202
"1708136"	207.058685	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+NH4+CF3COOH"	132.026685
"1639413"	212.01408	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+Na+CF3COOH"	136.98208
"1580532"	227.98802	"C06808"	"Acetohydroxamic acid"	"C2H5NO2"	"75.032"	"M+K+CF3COOH"	152.95602
"816004"	163.0303	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M"	0
"987713"	144.01191	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-H2O-H"	-19.01839
"73769"	107.679590666667	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M-3H"	-3.021828
"508954"	162.023024	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M-3H"	-3.021828
"881651"	53.3361573333333	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-3H"	-3.021828
"2046"	162.023024	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M-2H"	-2.014552
"447079"	243.538174	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M-2H"	-2.014552
"823787"	80.507874	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-2H"	-2.014552
"83780"	325.053324	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M-H"	-1.007276
"525527"	488.083624	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M-H"	-1.007276
"897860"	162.023024	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-H"	-1.007276
"49318"	342.079871	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M-2H+NH4"	16.019271
"489729"	505.110171	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M-2H+NH4"	16.019271
"864610"	179.049571	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-2H+NH4"	16.019271
"33122"	347.035266	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M-2H+Na"	20.974666
"472319"	510.065566	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M-2H+Na"	20.974666
"852676"	184.004966	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-2H+Na"	20.974666
"1626585"	184.004966	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Na-2H"	20.974666
"99831"	180.011363	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M-H+Cl"	33.962126
"536110"	261.526513	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M-H+Cl"	33.962126
"933998"	98.496213	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-H+Cl"	33.962126
"269275"	361.030002	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+Cl"	34.969402
"663155"	524.060302	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+Cl"	34.969402
"1274586"	197.999702	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Cl"	34.969402
"17747"	363.009206	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M-2H+K"	36.948606
"458403"	526.039506	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M-2H+K"	36.948606
"833290"	199.978906	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-2H+K"	36.948606
"1557507"	199.978906	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+K-2H"	36.948606
"945026"	208.028494	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-H+HCOOH"	44.998194
"366884"	371.058801	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+HCOOH-H"	44.998201
"355142"	385.074451	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+Hac-H"	59.013851
"1502881"	222.044151	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Hac-H"	59.013851
"961673"	230.010451	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-H+NaCOOH"	66.980151
"116049"	197.999702	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+2Cl"	69.938804
"554515"	279.514852	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+2Cl"	69.938804
"1024774"	116.484552	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2Cl"	69.938804
"1241681"	241.949185	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Br"	78.918885
"1304327"	244.005172	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Cl+HCOOH"	80.974872
"1320773"	265.987129	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Cl+NaCOOH"	102.956829
"911548"	276.015886	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M-H+CF3COOH"	112.985586
"1288670"	311.992564	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Cl+CF3COOH"	148.962264
"1367080"	128.017624	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H-2H2O"	-35.012676
"1382786"	146.0276	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H-H2O"	-17.0027
"283124"	327.067876	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+H"	1.007276
"675765"	490.098176	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+H"	1.007276
"1351363"	164.037576	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H"	1.007276
"125864"	164.037576	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+2H"	2.014552
"566456"	245.552726	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+2H"	2.014552
"1037929"	82.522426	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2H"	2.014552
"205709"	109.694142666667	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+3H"	3.021828
"644290"	164.037576	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+3H"	3.021828
"1163025"	55.3507093333333	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+3H"	3.021828
"425567"	344.094423	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+NH4"	18.033823
"785955"	507.124723	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+NH4"	18.033823
"1682162"	181.064123	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+NH4"	18.033823
"332265"	172.5508495	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+H+NH4"	19.041099
"725781"	254.0659995	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+H+NH4"	19.041099
"1477070"	91.0356995	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H+NH4"	19.041099
"393420"	349.049818	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+Na"	22.989218
"756368"	512.080118	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+Na"	22.989218
"1605560"	186.019518	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Na"	22.989218
"314577"	175.028547	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+H+Na"	23.996494
"708138"	256.543697	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+H+Na"	23.996494
"1468409"	93.513397	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H+Na"	23.996494
"1060562"	62.6780233333333	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2H+Na"	25.00377
"1263332"	196.063786	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+CH3OH+H"	33.033486
"383001"	365.023758	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+K"	38.963158
"748375"	528.054058	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+K"	38.963158
"1546050"	201.993458	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+K"	38.963158
"309794"	183.015517	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+H+K"	39.970434
"702217"	264.530667	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+H+K"	39.970434
"1456036"	101.500367	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H+K"	39.970434
"247553"	368.094426	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+ACN+H"	42.033826
"1220626"	205.064126	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+ACN+H"	42.033826
"1203419"	103.035701	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+ACN+2H"	43.041102
"198477"	371.03176	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+2Na-H"	44.97116
"638038"	534.06206	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+2Na-H"	44.97116
"1143733"	208.00146	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2Na-H"	44.97116
"186660"	186.019518	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+2Na"	45.978436
"615649"	267.534668	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+2Na"	45.978436
"1116968"	104.504368	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2Na"	45.978436
"1400855"	70.0053373333333	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H+2Na"	46.985712
"1439169"	210.043046	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H+HCOOH"	47.012746
"220844"	191.05254	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+3H2O+2H"	56.04448
"1512553"	224.09509	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+IsoProp+H"	61.06479
"411873"	194.006488	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+Na+K"	61.952376
"776514"	275.521638	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+Na+K"	61.952376
"1670658"	112.491338	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Na+K"	61.952376
"251649"	390.076368	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+ACN+Na"	64.015768
"1228794"	227.046068	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+ACN+Na"	64.015768
"1720962"	227.069593	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+NH4+HCOOH"	64.039293
"1181942"	77.3326513333333	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+3Na"	68.967654
"1651836"	232.024988	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Na+HCOOH"	68.994688
"160518"	402.97964	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+2K-H"	76.91904
"598865"	566.00994	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+2K-H"	76.91904
"1096993"	239.94934	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2K-H"	76.91904
"145788"	201.993458	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"2M+2K"	77.926316
"593736"	283.508608	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"3M+2K"	77.926316
"1077883"	120.478308	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2K"	77.926316
"1112186"	241.963892	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2K+H"	78.933592
"1346386"	242.051507	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+DMSO+H"	79.021207
"1013821"	246.090676	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2ACN+H"	83.060376
"1528667"	247.084308	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+IsoProp+Na+H"	84.054008
"992928"	123.548976	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+2ACN+2H"	84.067652
"1587348"	247.998928	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+K+HCOOH"	84.968628
"1414303"	278.030438	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+H+CF3COOH"	115.000138
"1147185"	144.062251	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+3ACN+2H"	125.094202
"1697672"	295.056985	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+NH4+CF3COOH"	132.026685
"1639523"	300.01238	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+Na+CF3COOH"	136.98208
"1580642"	315.98632	"C06809"	"Acetylcysteine;N-Acetyl-L-cysteine"	"C5H9NO3S"	"163.0303"	"M+K+CF3COOH"	152.95602
"816235"	225.0862	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M"	0
"989001"	206.06781	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-H2O-H"	-19.01839
"70597"	149.050190666667	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M-3H"	-3.021828
"507971"	224.078924	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M-3H"	-3.021828
"880423"	74.0214573333333	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-3H"	-3.021828
"699"	224.078924	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M-2H"	-2.014552
"443909"	336.622024	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M-2H"	-2.014552
"823897"	111.535824	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-2H"	-2.014552
"83890"	449.165124	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M-H"	-1.007276
"525637"	674.251324	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M-H"	-1.007276
"897119"	224.078924	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-H"	-1.007276
"49063"	466.191671	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M-2H+NH4"	16.019271
"488746"	691.277871	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M-2H+NH4"	16.019271
"864444"	241.105471	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-2H+NH4"	16.019271
"33232"	471.147066	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M-2H+Na"	20.974666
"474981"	696.233266	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M-2H+Na"	20.974666
"849869"	246.060866	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-2H+Na"	20.974666
"1622320"	246.060866	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Na-2H"	20.974666
"97755"	242.067263	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M-H+Cl"	33.962126
"535490"	354.610363	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M-H+Cl"	33.962126
"931922"	129.524163	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-H+Cl"	33.962126
"269385"	485.141802	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+Cl"	34.969402
"660712"	710.228002	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+Cl"	34.969402
"1273232"	260.055602	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Cl"	34.969402
"16762"	487.121006	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M-2H+K"	36.948606
"457419"	712.207206	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M-2H+K"	36.948606
"833198"	262.034806	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-2H+K"	36.948606
"1556887"	262.034806	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+K-2H"	36.948606
"945865"	270.084394	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-H+HCOOH"	44.998194
"368086"	495.170601	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+HCOOH-H"	44.998201
"356346"	509.186251	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+Hac-H"	59.013851
"1501898"	284.100051	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Hac-H"	59.013851
"963970"	292.066351	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-H+NaCOOH"	66.980151
"117252"	260.055602	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+2Cl"	69.938804
"556811"	372.598702	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+2Cl"	69.938804
"1024884"	147.512502	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2Cl"	69.938804
"1241872"	304.005085	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Br"	78.918885
"1304565"	306.061072	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Cl+HCOOH"	80.974872
"1321004"	328.043029	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Cl+NaCOOH"	102.956829
"911868"	338.071786	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M-H+CF3COOH"	112.985586
"1289268"	374.048464	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Cl+CF3COOH"	148.962264
"1367178"	190.073524	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H-2H2O"	-35.012676
"1382894"	208.0835	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H-H2O"	-17.0027
"283513"	451.179676	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+H"	1.007276
"675727"	676.265876	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+H"	1.007276
"1351505"	226.093476	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H"	1.007276
"125879"	226.093476	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+2H"	2.014552
"566024"	338.636576	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+2H"	2.014552
"1037422"	113.550376	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2H"	2.014552
"204455"	151.064742666667	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+3H"	3.021828
"644561"	226.093476	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+3H"	3.021828
"1163371"	76.0360093333333	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+3H"	3.021828
"425188"	468.206223	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+NH4"	18.033823
"786263"	693.292423	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+NH4"	18.033823
"1682027"	243.120023	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+NH4"	18.033823
"330428"	234.6067495	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+H+NH4"	19.041099
"725891"	347.1498495	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+H+NH4"	19.041099
"1477311"	122.0636495	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H+NH4"	19.041099
"392994"	473.161618	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+Na"	22.989218
"754280"	698.247818	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+Na"	22.989218
"1602842"	248.075418	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Na"	22.989218
"314489"	237.084447	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+H+Na"	23.996494
"709220"	349.627547	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+H+Na"	23.996494
"1464869"	124.541347	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H+Na"	23.996494
"1057386"	83.3633233333333	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2H+Na"	25.00377
"1261256"	258.119686	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+CH3OH+H"	33.033486
"383111"	489.135558	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+K"	38.963158
"748485"	714.221758	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+K"	38.963158
"1546160"	264.049358	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+K"	38.963158
"308811"	245.071417	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+H+K"	39.970434
"702327"	357.614517	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+H+K"	39.970434
"1453959"	132.528317	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H+K"	39.970434
"245841"	492.206226	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+ACN+H"	42.033826
"1219642"	267.120026	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+ACN+H"	42.033826
"1202800"	134.063651	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+ACN+2H"	43.041102
"197494"	495.14356	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+2Na-H"	44.97116
"638148"	720.22976	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+2Na-H"	44.97116
"1143479"	270.05736	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2Na-H"	44.97116
"185677"	248.075418	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+2Na"	45.978436
"616852"	360.618518	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+2Na"	45.978436
"1124004"	135.532318	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2Na"	45.978436
"1403884"	90.6906373333333	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H+2Na"	46.985712
"1439280"	272.098946	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H+HCOOH"	47.012746
"220954"	253.10844	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+3H2O+2H"	56.04448
"1513027"	286.15099	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+IsoProp+H"	61.06479
"412347"	256.062388	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+Na+K"	61.952376
"775531"	368.605488	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+Na+K"	61.952376
"1671861"	143.519288	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Na+K"	61.952376
"251426"	514.188168	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+ACN+Na"	64.015768
"1227812"	289.101968	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+ACN+Na"	64.015768
"1719979"	289.125493	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+NH4+HCOOH"	64.039293
"1182052"	98.0179513333333	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+3Na"	68.967654
"1651946"	294.080888	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Na+HCOOH"	68.994688
"158807"	527.09144	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+2K-H"	76.91904
"600555"	752.17764	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+2K-H"	76.91904
"1096009"	302.00524	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2K-H"	76.91904
"145170"	264.049358	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"2M+2K"	77.926316
"592386"	376.592458	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"3M+2K"	77.926316
"1077993"	151.506258	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2K"	77.926316
"1111203"	304.019792	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2K+H"	78.933592
"1347589"	304.107407	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+DMSO+H"	79.021207
"1011744"	308.146576	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2ACN+H"	83.060376
"1528049"	309.140208	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+IsoProp+Na+H"	84.054008
"994133"	154.576926	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+2ACN+2H"	84.067652
"1587174"	310.054828	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+K+HCOOH"	84.968628
"1414210"	340.086338	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+H+CF3COOH"	115.000138
"1147062"	175.090201	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+3ACN+2H"	125.094202
"1698876"	357.112885	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+NH4+CF3COOH"	132.026685
"1642913"	362.06828	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+Na+CF3COOH"	136.98208
"1580752"	378.04222	"C06810"	"Acyclovir;Aciclovir"	"C8H11N5O3"	"225.0862"	"M+K+CF3COOH"	152.95602
"814400"	406.2138	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M"	0
"987933"	387.19541	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-H2O-H"	-19.01839
"70707"	269.801924	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M-3H"	-3.021828
"508081"	405.206524	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M-3H"	-3.021828
"880042"	134.397324	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-3H"	-3.021828
"282"	405.206524	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M-2H"	-2.014552
"446205"	608.313424	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M-2H"	-2.014552
"824007"	202.099624	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-2H"	-2.014552
"84000"	811.420324	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M-H"	-1.007276
"525747"	1217.634124	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M-H"	-1.007276
"900267"	405.206524	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-H"	-1.007276
"49173"	828.446871	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M-2H+NH4"	16.019271
"488856"	1234.660671	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M-2H+NH4"	16.019271
"869817"	422.233071	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-2H+NH4"	16.019271
"34437"	833.402266	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M-2H+Na"	20.974666
"475093"	1239.616066	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M-2H+Na"	20.974666
"849616"	427.188466	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-2H+Na"	20.974666
"1622430"	427.188466	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Na-2H"	20.974666
"100052"	423.194863	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M-H+Cl"	33.962126
"537424"	626.301763	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M-H+Cl"	33.962126
"933126"	220.087963	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-H+Cl"	33.962126
"268403"	847.397002	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+Cl"	34.969402
"661189"	1253.610802	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+Cl"	34.969402
"1273059"	441.183202	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Cl"	34.969402
"21250"	849.376206	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M-2H+K"	36.948606
"456801"	1255.590006	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M-2H+K"	36.948606
"840802"	443.162406	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-2H+K"	36.948606
"1558822"	443.162406	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+K-2H"	36.948606
"947798"	451.211994	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-H+HCOOH"	44.998194
"366011"	857.425801	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+HCOOH-H"	44.998201
"349529"	871.441451	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+Hac-H"	59.013851
"1498727"	465.227651	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Hac-H"	59.013851
"965174"	473.193951	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-H+NaCOOH"	66.980151
"116269"	441.183202	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+2Cl"	69.938804
"554737"	644.290102	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+2Cl"	69.938804
"1026816"	238.076302	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2Cl"	69.938804
"1241700"	485.132685	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Br"	78.918885
"1304216"	487.188672	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Cl+HCOOH"	80.974872
"1320265"	509.170629	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Cl+NaCOOH"	102.956829
"912304"	519.199386	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M-H+CF3COOH"	112.985586
"1290107"	555.176064	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Cl+CF3COOH"	148.962264
"1367376"	371.201124	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H-2H2O"	-35.012676
"1382810"	389.2111	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H-H2O"	-17.0027
"282930"	813.434876	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+H"	1.007276
"676086"	1219.648676	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+H"	1.007276
"1351543"	407.221076	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H"	1.007276
"126624"	407.221076	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+2H"	2.014552
"566061"	610.327976	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+2H"	2.014552
"1037412"	204.114176	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2H"	2.014552
"204461"	271.816476	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+3H"	3.021828
"644671"	407.221076	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+3H"	3.021828
"1164574"	136.411876	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+3H"	3.021828
"425179"	830.461423	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+NH4"	18.033823
"786173"	1236.675223	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+NH4"	18.033823
"1683108"	424.247623	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+NH4"	18.033823
"331509"	415.7343495	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+H+NH4"	19.041099
"723691"	618.8412495	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+H+NH4"	19.041099
"1477630"	212.6274495	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H+NH4"	19.041099
"393039"	835.416818	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+Na"	22.989218
"754389"	1241.630618	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+Na"	22.989218
"1603208"	429.203018	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Na"	22.989218
"315203"	418.212047	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+H+Na"	23.996494
"708601"	621.318947	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+H+Na"	23.996494
"1465346"	215.105147	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H+Na"	23.996494
"1060777"	143.73919	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2H+Na"	25.00377
"1263552"	439.247286	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+CH3OH+H"	33.033486
"384314"	851.390758	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+K"	38.963158
"744220"	1257.604558	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+K"	38.963158
"1545176"	445.176958	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+K"	38.963158
"306734"	426.199017	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+H+K"	39.970434
"700251"	629.305917	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+H+K"	39.970434
"1452975"	223.092117	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H+K"	39.970434
"242669"	854.461426	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+ACN+H"	42.033826
"1217564"	448.247626	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+ACN+H"	42.033826
"1196712"	224.627451	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+ACN+2H"	43.041102
"190311"	857.39876	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+2Na-H"	44.97116
"634247"	1263.61256	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+2Na-H"	44.97116
"1141766"	451.18496	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2Na-H"	44.97116
"183600"	429.203018	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+2Na"	45.978436
"616598"	632.309918	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+2Na"	45.978436
"1121197"	226.096118	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2Na"	45.978436
"1403992"	151.066504	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H+2Na"	46.985712
"1443398"	453.226546	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H+HCOOH"	47.012746
"221793"	434.23604	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+3H2O+2H"	56.04448
"1516053"	467.27859	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+IsoProp+H"	61.06479
"411363"	437.189988	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+Na+K"	61.952376
"774549"	640.296888	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+Na+K"	61.952376
"1671971"	234.083088	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Na+K"	61.952376
"251410"	876.443368	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+ACN+Na"	64.015768
"1229015"	470.229568	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+ACN+Na"	64.015768
"1718996"	470.253093	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+NH4+HCOOH"	64.039293
"1182163"	158.393818	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+3Na"	68.967654
"1652057"	475.208488	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Na+HCOOH"	68.994688
"158917"	889.34664	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+2K-H"	76.91904
"598115"	1295.56044	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+2K-H"	76.91904
"1087734"	483.13284	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2K-H"	76.91904
"151841"	445.176958	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"2M+2K"	77.926316
"591403"	648.283858	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"3M+2K"	77.926316
"1078103"	242.070058	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2K"	77.926316
"1108031"	485.147392	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2K+H"	78.933592
"1345512"	485.235007	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+DMSO+H"	79.021207
"1014042"	489.274176	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2ACN+H"	83.060376
"1528885"	490.267808	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+IsoProp+Na+H"	84.054008
"997523"	245.140726	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+2ACN+2H"	84.067652
"1587162"	491.182428	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+K+HCOOH"	84.968628
"1415498"	521.213938	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+H+CF3COOH"	115.000138
"1147972"	265.654001	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+3ACN+2H"	125.094202
"1698622"	538.240485	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+NH4+CF3COOH"	132.026685
"1643023"	543.19588	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+Na+CF3COOH"	136.98208
"1580862"	559.16982	"C06812"	"Lincomycin"	"C18H34N2O6S"	"406.2138"	"M+K+CF3COOH"	152.95602
"816213"	123.032	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M"	0
"986950"	104.01361	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-H2O-H"	-19.01839
"70817"	81.0140573333333	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M-3H"	-3.021828
"508191"	122.024724	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M-3H"	-3.021828
"880521"	40.0033906666667	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-3H"	-3.021828
"2378"	122.024724	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M-2H"	-2.014552
"445222"	183.540724	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M-2H"	-2.014552
"824117"	60.508724	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-2H"	-2.014552
"84110"	245.056724	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M-H"	-1.007276
"525857"	368.088724	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M-H"	-1.007276
"899648"	122.024724	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-H"	-1.007276
"47373"	262.083271	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M-2H+NH4"	16.019271
"487164"	385.115271	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M-2H+NH4"	16.019271
"868834"	139.051271	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-2H+NH4"	16.019271
"34547"	267.038666	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M-2H+Na"	20.974666
"476296"	390.070666	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M-2H+Na"	20.974666
"849726"	144.006666	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-2H+Na"	20.974666
"1623633"	144.006666	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Na-2H"	20.974666
"101255"	140.013063	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M-H+Cl"	33.962126
"544093"	201.529063	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M-H+Cl"	33.962126
"933236"	78.497063	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-H+Cl"	33.962126
"272886"	281.033402	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+Cl"	34.969402
"661054"	404.065402	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+Cl"	34.969402
"1275523"	158.001402	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Cl"	34.969402
"18444"	283.012606	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M-2H+K"	36.948606
"458368"	406.044606	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M-2H+K"	36.948606
"835079"	159.980606	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-2H+K"	36.948606
"1557839"	159.980606	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+K-2H"	36.948606
"947177"	168.030194	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-H+HCOOH"	44.998194
"365394"	291.062201	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+HCOOH-H"	44.998201
"350005"	305.077851	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+Hac-H"	59.013851
"1497744"	182.045851	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Hac-H"	59.013851
"965284"	190.012151	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-H+NaCOOH"	66.980151
"119659"	158.001402	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+2Cl"	69.938804
"555938"	219.517402	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+2Cl"	69.938804
"1025833"	96.485402	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2Cl"	69.938804
"1244318"	201.950885	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Br"	78.918885
"1307502"	204.006872	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Cl+HCOOH"	80.974872
"1320983"	225.988829	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Cl+NaCOOH"	102.956829
"913508"	236.017586	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M-H+CF3COOH"	112.985586
"1290947"	271.994264	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Cl+CF3COOH"	148.962264
"1372393"	88.019324	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H-2H2O"	-35.012676
"1384055"	106.0293	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H-H2O"	-17.0027
"283496"	247.071276	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+H"	1.007276
"677620"	370.103276	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+H"	1.007276
"1352633"	124.039276	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H"	1.007276
"134515"	124.039276	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+2H"	2.014552
"566050"	185.555276	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+2H"	2.014552
"1037281"	62.523276	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2H"	2.014552
"205673"	83.0286093333333	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+3H"	3.021828
"645232"	124.039276	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+3H"	3.021828
"1165179"	42.0179426666667	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+3H"	3.021828
"425655"	264.097823	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+NH4"	18.033823
"786895"	387.129823	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+NH4"	18.033823
"1682856"	141.065823	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+NH4"	18.033823
"335147"	132.5525495	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+H+NH4"	19.041099
"727569"	194.0685495	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+H+NH4"	19.041099
"1479566"	71.0365495	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H+NH4"	19.041099
"393506"	269.053218	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+Na"	22.989218
"754987"	392.085218	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+Na"	22.989218
"1603366"	146.021218	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Na"	22.989218
"315315"	135.030247	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+H+Na"	23.996494
"708469"	196.546247	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+H+Na"	23.996494
"1466549"	73.514247	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H+Na"	23.996494
"1059793"	49.3452566666667	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2H+Na"	25.00377
"1263658"	156.065486	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+CH3OH+H"	33.033486
"385514"	285.027158	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+K"	38.963158
"747606"	408.059158	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+K"	38.963158
"1548564"	161.995158	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+K"	38.963158
"307935"	143.017217	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+H+K"	39.970434
"698172"	204.533217	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+H+K"	39.970434
"1451991"	81.501217	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H+K"	39.970434
"242779"	288.097826	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+ACN+H"	42.033826
"1214394"	165.065826	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+ACN+H"	42.033826
"1195729"	83.036551	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+ACN+2H"	43.041102
"189691"	291.03516	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+2Na-H"	44.97116
"634357"	414.06716	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+2Na-H"	44.97116
"1139687"	168.00316	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2Na-H"	44.97116
"184074"	146.021218	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+2Na"	45.978436
"617438"	207.537218	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+2Na"	45.978436
"1122766"	84.505218	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2Na"	45.978436
"1403007"	56.6725706666667	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H+2Na"	46.985712
"1438403"	170.044746	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H+HCOOH"	47.012746
"220931"	151.05424	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+3H2O+2H"	56.04448
"1511788"	184.09679	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+IsoProp+H"	61.06479
"412203"	154.008188	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+Na+K"	61.952376
"772470"	215.524188	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+Na+K"	61.952376
"1668801"	92.492188	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Na+K"	61.952376
"251430"	310.079768	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+ACN+Na"	64.015768
"1227667"	187.047768	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+ACN+Na"	64.015768
"1718013"	187.071293	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+NH4+HCOOH"	64.039293
"1182272"	63.9998846666667	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+3Na"	68.967654
"1654353"	192.026688	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Na+HCOOH"	68.994688
"159026"	322.98304	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+2K-H"	76.91904
"598224"	446.01504	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+2K-H"	76.91904
"1085292"	199.95104	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2K-H"	76.91904
"148671"	161.995158	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"2M+2K"	77.926316
"583494"	223.511158	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"3M+2K"	77.926316
"1072746"	100.479158	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2K"	77.926316
"1104861"	201.965592	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2K+H"	78.933592
"1341250"	202.053207	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+DMSO+H"	79.021207
"1014151"	206.092376	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2ACN+H"	83.060376
"1525713"	207.086008	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+IsoProp+Na+H"	84.054008
"996540"	103.549826	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+2ACN+2H"	84.067652
"1587102"	208.000628	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+K+HCOOH"	84.968628
"1414632"	238.032138	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+H+CF3COOH"	115.000138
"1147839"	124.063101	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+3ACN+2H"	125.094202
"1698732"	255.058685	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+NH4+CF3COOH"	132.026685
"1643133"	260.01408	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+Na+CF3COOH"	136.98208
"1580972"	275.98802	"C06813"	"Nitrobenzene;Nitrobenzol"	"C6H5NO2"	"123.032"	"M+K+CF3COOH"	152.95602
"814620"	230.0192	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M"	0
"987060"	211.00081	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-H2O-H"	-19.01839
"70927"	152.338857333333	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M-3H"	-3.021828
"508301"	229.011924	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M-3H"	-3.021828
"880875"	75.6657906666667	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-3H"	-3.021828
"1395"	229.011924	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H"	-2.014552
"443146"	344.021524	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H"	-2.014552
"821312"	114.002324	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H"	-2.014552
"83127"	459.031124	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H"	-1.007276
"523781"	689.050324	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H"	-1.007276
"902675"	229.011924	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-H"	-1.007276
"47439"	476.057671	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+NH4"	16.019271
"487409"	706.076871	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+NH4"	16.019271
"871131"	246.038471	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+NH4"	16.019271
"35750"	481.013066	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+Na"	20.974666
"476406"	711.032266	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+Na"	20.974666
"855301"	250.993866	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+Na"	20.974666
"1623743"	250.993866	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na-2H"	20.974666
"101363"	247.000263	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M-H+Cl"	33.962126
"544203"	362.009863	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M-H+Cl"	33.962126
"932253"	131.990663	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+Cl"	33.962126
"272996"	495.007802	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Cl"	34.969402
"660434"	725.027002	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Cl"	34.969402
"1275634"	264.988602	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl"	34.969402
"17825"	496.987006	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M-2H+K"	36.948606
"456898"	727.006206	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M-2H+K"	36.948606
"835918"	266.967806	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-2H+K"	36.948606
"1557949"	266.967806	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+K-2H"	36.948606
"945465"	275.017394	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+HCOOH"	44.998194
"364775"	505.036601	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+HCOOH-H"	44.998201
"349023"	519.052251	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Hac-H"	59.013851
"1495667"	289.033051	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Hac-H"	59.013851
"967582"	296.999351	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+NaCOOH"	66.980151
"121956"	264.988602	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Cl"	69.938804
"559329"	379.998202	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Cl"	69.938804
"1026307"	149.979002	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Cl"	69.938804
"1242605"	308.938085	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Br"	78.918885
"1309436"	310.994072	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+HCOOH"	80.974872
"1320364"	332.976029	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+NaCOOH"	102.956829
"912033"	343.004786	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M-H+CF3COOH"	112.985586
"1289469"	378.981464	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Cl+CF3COOH"	148.962264
"1372502"	195.006524	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-2H2O"	-35.012676
"1385623"	213.0165	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H-H2O"	-17.0027
"285309"	461.045676	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H"	1.007276
"678095"	691.064876	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H"	1.007276
"1358455"	231.026476	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H"	1.007276
"134625"	231.026476	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2H"	2.014552
"565796"	346.036076	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2H"	2.014552
"1038002"	116.016876	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H"	2.014552
"205541"	154.353409333333	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H"	3.021828
"645217"	231.026476	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+3H"	3.021828
"1164924"	77.6803426666667	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+3H"	3.021828
"426373"	478.072223	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+NH4"	18.033823
"787246"	708.091423	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+NH4"	18.033823
"1682605"	248.053023	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4"	18.033823
"334164"	239.5397495	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+NH4"	19.041099
"727678"	354.5493495	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+NH4"	19.041099
"1480040"	124.5301495	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+NH4"	19.041099
"394712"	483.027618	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na"	22.989218
"755339"	713.046818	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na"	22.989218
"1603069"	253.008418	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na"	22.989218
"316034"	242.017447	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+Na"	23.996494
"708214"	357.027047	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+Na"	23.996494
"1466659"	127.007847	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+Na"	23.996494
"1058809"	85.0076566666667	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2H+Na"	25.00377
"1261582"	263.052686	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+CH3OH+H"	33.033486
"379064"	499.001558	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+K"	38.963158
"744436"	729.020758	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+K"	38.963158
"1545393"	268.982358	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+K"	38.963158
"305857"	250.004417	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+H+K"	39.970434
"697188"	365.014017	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+H+K"	39.970434
"1452101"	134.994817	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+K"	39.970434
"241796"	502.072226	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+H"	42.033826
"1216691"	272.053026	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+H"	42.033826
"1198387"	136.530151	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+2H"	43.041102
"189557"	505.00956	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na-H"	44.97116
"630089"	735.02876	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na-H"	44.97116
"1139067"	274.99036	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na-H"	44.97116
"182727"	253.008418	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2Na"	45.978436
"617548"	368.018018	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2Na"	45.978436
"1120687"	137.998818	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2Na"	45.978436
"1405306"	92.3349706666667	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+2Na"	46.985712
"1438513"	277.031946	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+HCOOH"	47.012746
"220555"	258.04144	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+3H2O+2H"	56.04448
"1508734"	291.08399	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+H"	61.06479
"408663"	260.995388	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+Na+K"	61.952376
"771123"	376.004988	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+Na+K"	61.952376
"1665994"	145.985788	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+K"	61.952376
"251775"	524.054168	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+ACN+Na"	64.015768
"1226684"	294.034968	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+ACN+Na"	64.015768
"1714235"	294.058493	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+HCOOH"	64.039293
"1180196"	99.6622846666667	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+3Na"	68.967654
"1651182"	299.013888	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+HCOOH"	68.994688
"157434"	536.95744	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K-H"	76.91904
"597159"	766.97664	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K-H"	76.91904
"1085037"	306.93824	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K-H"	76.91904
"148781"	268.982358	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"2M+2K"	77.926316
"586153"	383.991958	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"3M+2K"	77.926316
"1070669"	153.972758	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K"	77.926316
"1102784"	308.952792	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2K+H"	78.933592
"1345731"	309.040407	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+DMSO+H"	79.021207
"1012074"	313.079576	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+H"	83.060376
"1525823"	314.073208	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+IsoProp+Na+H"	84.054008
"998836"	157.043426	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+2ACN+2H"	84.067652
"1587259"	314.987828	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+HCOOH"	84.968628
"1414376"	345.019338	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+H+CF3COOH"	115.000138
"1147585"	177.556701	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+3ACN+2H"	125.094202
"1698842"	362.045885	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+NH4+CF3COOH"	132.026685
"1643243"	367.00128	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+Na+CF3COOH"	136.98208
"1581082"	382.97522	"C06814"	"D-Xylose-5-phosphate"	"C5H11O8P"	"230.0192"	"M+K+CF3COOH"	152.95602
"814730"	308.0829	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M"	0
"986077"	289.06451	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-H2O-H"	-19.01839
"67757"	204.381324	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M-3H"	-3.021828
"507318"	307.075624	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M-3H"	-3.021828
"882200"	101.687024	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-3H"	-3.021828
"774"	307.075624	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M-2H"	-2.014552
"442163"	461.117074	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M-2H"	-2.014552
"819236"	153.034174	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-2H"	-2.014552
"81536"	615.158524	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M-H"	-1.007276
"523891"	923.241424	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M-H"	-1.007276
"899869"	307.075624	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-H"	-1.007276
"47551"	632.185071	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M-2H+NH4"	16.019271
"487967"	940.267971	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M-2H+NH4"	16.019271
"867960"	324.102171	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-2H+NH4"	16.019271
"35861"	637.140466	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M-2H+Na"	20.974666
"478704"	945.223366	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M-2H+Na"	20.974666
"853225"	329.057566	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-2H+Na"	20.974666
"1623853"	329.057566	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Na-2H"	20.974666
"98193"	325.063963	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M-H+Cl"	33.962126
"541033"	479.105413	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M-H+Cl"	33.962126
"933457"	171.022513	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-H+Cl"	33.962126
"272014"	651.135202	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+Cl"	34.969402
"665893"	959.218102	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+Cl"	34.969402
"1273065"	343.052302	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Cl"	34.969402
"17078"	653.114406	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M-2H+K"	36.948606
"457004"	961.197306	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M-2H+K"	36.948606
"833961"	345.031506	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-2H+K"	36.948606
"1558053"	345.031506	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+K-2H"	36.948606
"945210"	353.081094	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-H+HCOOH"	44.998194
"364887"	661.164001	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+HCOOH-H"	44.998201
"348765"	675.179651	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+Hac-H"	59.013851
"1497232"	367.096751	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Hac-H"	59.013851
"967692"	375.063051	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-H+NaCOOH"	66.980151
"118786"	343.052302	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+2Cl"	69.938804
"554700"	497.093752	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+2Cl"	69.938804
"1026780"	189.010852	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2Cl"	69.938804
"1242715"	387.001785	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Br"	78.918885
"1305898"	389.057772	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Cl+HCOOH"	80.974872
"1321569"	411.039729	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Cl+NaCOOH"	102.956829
"912991"	421.068486	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M-H+CF3COOH"	112.985586
"1289700"	457.045164	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Cl+CF3COOH"	148.962264
"1370423"	273.070224	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H-2H2O"	-35.012676
"1389014"	291.0802	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H-H2O"	-17.0027
"285423"	617.173076	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+H"	1.007276
"678936"	925.255976	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+H"	1.007276
"1357472"	309.090176	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H"	1.007276
"131455"	309.090176	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+2H"	2.014552
"566070"	463.131626	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+2H"	2.014552
"1037506"	155.048726	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2H"	2.014552
"204921"	206.395876	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+3H"	3.021828
"645088"	309.090176	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+3H"	3.021828
"1166128"	103.701576	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+3H"	3.021828
"425147"	634.199623	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+NH4"	18.033823
"787845"	942.282523	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+NH4"	18.033823
"1683808"	326.116723	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+NH4"	18.033823
"336462"	317.6034495	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+H+NH4"	19.041099
"727790"	471.6448995	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+H+NH4"	19.041099
"1480880"	163.5619995	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H+NH4"	19.041099
"395186"	639.155018	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+Na"	22.989218
"754719"	947.237918	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+Na"	22.989218
"1603222"	331.072118	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Na"	22.989218
"316875"	320.081147	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+H+Na"	23.996494
"711119"	474.122597	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+H+Na"	23.996494
"1464576"	166.039697	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H+Na"	23.996494
"1056001"	111.02889	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2H+Na"	25.00377
"1260594"	341.116386	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+CH3OH+H"	33.033486
"378081"	655.128958	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+K"	38.963158
"743455"	963.211858	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+K"	38.963158
"1544411"	347.046058	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+K"	38.963158
"308155"	328.068117	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+H+K"	39.970434
"698392"	482.109567	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+H+K"	39.970434
"1452211"	174.026667	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H+K"	39.970434
"249560"	658.199626	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+ACN+H"	42.033826
"1222268"	350.116726	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+ACN+H"	42.033826
"1200684"	175.562001	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+ACN+2H"	43.041102
"191371"	661.13696	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+2Na-H"	44.97116
"630931"	969.21986	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+2Na-H"	44.97116
"1136990"	353.05406	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2Na-H"	44.97116
"181012"	331.072118	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+2Na"	45.978436
"619112"	485.113568	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+2Na"	45.978436
"1122255"	177.030668	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2Na"	45.978436
"1403592"	118.356204	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H+2Na"	46.985712
"1430602"	355.095646	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H+HCOOH"	47.012746
"220784"	336.10514	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+3H2O+2H"	56.04448
"1509328"	369.14769	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+IsoProp+H"	61.06479
"409015"	339.059088	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+Na+K"	61.952376
"770984"	493.100538	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+Na+K"	61.952376
"1666104"	185.017638	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Na+K"	61.952376
"252856"	680.181568	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+ACN+Na"	64.015768
"1226672"	372.098668	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+ACN+Na"	64.015768
"1714953"	372.122193	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+NH4+HCOOH"	64.039293
"1180306"	125.683518	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+3Na"	68.967654
"1650441"	377.077588	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Na+HCOOH"	68.994688
"158882"	693.08484	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+2K-H"	76.91904
"597715"	1001.16774	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+2K-H"	76.91904
"1084658"	385.00194	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2K-H"	76.91904
"148891"	347.046058	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"2M+2K"	77.926316
"583347"	501.087508	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"3M+2K"	77.926316
"1074059"	193.004608	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2K"	77.926316
"1105081"	387.016492	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2K+H"	78.933592
"1341468"	387.104107	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+DMSO+H"	79.021207
"1009997"	391.143276	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2ACN+H"	83.060376
"1524321"	392.136908	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+IsoProp+Na+H"	84.054008
"995666"	196.075276	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+2ACN+2H"	84.067652
"1587367"	393.051528	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+K+HCOOH"	84.968628
"1414282"	423.083038	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+H+CF3COOH"	115.000138
"1147450"	216.588551	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+3ACN+2H"	125.094202
"1697493"	440.109585	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+NH4+CF3COOH"	132.026685
"1643353"	445.06498	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+Na+CF3COOH"	136.98208
"1581192"	461.03892	"C06817"	"Alprazolam"	"C17H13ClN4"	"308.0829"	"M+K+CF3COOH"	152.95602
"811560"	151.1361	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M"	0
"987280"	132.11771	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-H2O-H"	-19.01839
"67867"	99.750124	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M-3H"	-3.021828
"505241"	150.128824	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M-3H"	-3.021828
"881213"	49.371424	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-3H"	-3.021828
"2707"	150.128824	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M-2H"	-2.014552
"442273"	225.696874	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M-2H"	-2.014552
"818982"	74.560774	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-2H"	-2.014552
"81161"	301.264924	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M-H"	-1.007276
"521449"	452.401024	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M-H"	-1.007276
"900708"	150.128824	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-H"	-1.007276
"47786"	318.291471	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M-2H+NH4"	16.019271
"489176"	469.427571	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M-2H+NH4"	16.019271
"870258"	167.155371	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-2H+NH4"	16.019271
"37065"	323.246866	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M-2H+Na"	20.974666
"478815"	474.382966	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M-2H+Na"	20.974666
"852242"	172.110766	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-2H+Na"	20.974666
"1620682"	172.110766	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Na-2H"	20.974666
"95387"	168.117163	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M-H+Cl"	33.962126
"537861"	243.685213	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M-H+Cl"	33.962126
"932474"	92.549113	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-H+Cl"	33.962126
"268842"	337.241602	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+Cl"	34.969402
"660655"	488.377702	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+Cl"	34.969402
"1273417"	186.105502	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Cl"	34.969402
"15889"	339.220806	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M-2H+K"	36.948606
"456180"	490.356906	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M-2H+K"	36.948606
"834068"	188.084706	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-2H+K"	36.948606
"1557070"	188.084706	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+K-2H"	36.948606
"944590"	196.134294	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-H+HCOOH"	44.998194
"362805"	347.270401	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+HCOOH-H"	44.998201
"348146"	361.286051	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+Hac-H"	59.013851
"1496616"	210.149951	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Hac-H"	59.013851
"967802"	218.116251	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-H+NaCOOH"	66.980151
"119989"	186.105502	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+2Cl"	69.938804
"555905"	261.673552	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+2Cl"	69.938804
"1026526"	110.537452	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2Cl"	69.938804
"1245377"	230.054985	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Br"	78.918885
"1308554"	232.110972	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Cl+HCOOH"	80.974872
"1322773"	254.092929	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Cl+NaCOOH"	102.956829
"913102"	264.121686	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M-H+CF3COOH"	112.985586
"1290904"	300.098364	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Cl+CF3COOH"	148.962264
"1369074"	116.123424	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H-2H2O"	-35.012676
"1389124"	134.1334	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H-H2O"	-17.0027
"285653"	303.279476	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+H"	1.007276
"679046"	454.415576	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+H"	1.007276
"1354301"	152.143376	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H"	1.007276
"129378"	152.143376	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+2H"	2.014552
"566020"	227.711426	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+2H"	2.014552
"1037614"	76.575326	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2H"	2.014552
"204463"	101.764676	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+3H"	3.021828
"644711"	152.143376	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+3H"	3.021828
"1165510"	51.385976	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+3H"	3.021828
"425623"	320.306023	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+NH4"	18.033823
"786496"	471.442123	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+NH4"	18.033823
"1687200"	169.169923	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+NH4"	18.033823
"334385"	160.6566495	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+H+NH4"	19.041099
"728263"	236.2246995	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+H+NH4"	19.041099
"1482083"	85.0885995	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H+NH4"	19.041099
"395297"	325.261418	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+Na"	22.989218
"754305"	476.397518	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+Na"	22.989218
"1602829"	174.125318	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Na"	22.989218
"315892"	163.134347	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+H+Na"	23.996494
"709772"	238.702397	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+H+Na"	23.996494
"1465780"	87.566297	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H+Na"	23.996494
"1054287"	58.71329	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2H+Na"	25.00377
"1258151"	184.169586	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+CH3OH+H"	33.033486
"380010"	341.235358	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+K"	38.963158
"743559"	492.371458	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+K"	38.963158
"1544519"	190.099258	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+K"	38.963158
"304983"	171.121317	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+H+K"	39.970434
"703968"	246.689367	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+H+K"	39.970434
"1457059"	95.553267	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H+K"	39.970434
"247847"	344.306026	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+ACN+H"	42.033826
"1219098"	193.169926	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+ACN+H"	42.033826
"1201888"	97.088601	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+ACN+2H"	43.041102
"191481"	347.24336	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+2Na-H"	44.97116
"635414"	498.37946	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+2Na-H"	44.97116
"1135641"	196.10726	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2Na-H"	44.97116
"182215"	174.125318	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+2Na"	45.978436
"619588"	249.693368	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+2Na"	45.978436
"1118721"	98.557268	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2Na"	45.978436
"1403338"	66.040604	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H+2Na"	46.985712
"1431806"	198.148846	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H+HCOOH"	47.012746
"220771"	179.15834	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+3H2O+2H"	56.04448
"1509195"	212.20089	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+IsoProp+H"	61.06479
"409125"	182.112288	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+Na+K"	61.952376
"771584"	257.680338	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+Na+K"	61.952376
"1667550"	106.544238	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Na+K"	61.952376
"252967"	366.287968	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+ACN+Na"	64.015768
"1226903"	215.151868	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+ACN+Na"	64.015768
"1713115"	215.175393	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+NH4+HCOOH"	64.039293
"1180537"	73.367918	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+3Na"	68.967654
"1651523"	220.130788	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Na+HCOOH"	68.994688
"158991"	379.19124	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+2K-H"	76.91904
"597825"	530.32734	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+2K-H"	76.91904
"1086587"	228.05514	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2K-H"	76.91904
"143892"	190.099258	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"2M+2K"	77.926316
"582603"	265.667308	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"3M+2K"	77.926316
"1070889"	114.531208	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2K"	77.926316
"1103004"	230.069692	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2K+H"	78.933592
"1341578"	230.157307	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+DMSO+H"	79.021207
"1012293"	234.196476	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2ACN+H"	83.060376
"1525556"	235.190108	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+IsoProp+Na+H"	84.054008
"994683"	117.601876	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+2ACN+2H"	84.067652
"1587964"	236.104728	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+K+HCOOH"	84.968628
"1414477"	266.136238	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+H+CF3COOH"	115.000138
"1147194"	138.115151	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+3ACN+2H"	125.094202
"1697603"	283.162785	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+NH4+CF3COOH"	132.026685
"1643463"	288.11818	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+Na+CF3COOH"	136.98208
"1581302"	304.09212	"C06818"	"Amantadine"	"C10H17N"	"151.1361"	"M+K+CF3COOH"	152.95602
"808390"	214.0541	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M"	0
"985204"	195.03571	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-H2O-H"	-19.01839
"72351"	141.695457333333	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M-3H"	-3.021828
"511913"	213.046824	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M-3H"	-3.021828
"885339"	70.3440906666667	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-3H"	-3.021828
"2820"	213.046824	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M-2H"	-2.014552
"447850"	320.073874	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M-2H"	-2.014552
"825653"	106.019774	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-2H"	-2.014552
"87832"	427.100924	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M-H"	-1.007276
"522653"	641.155024	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M-H"	-1.007276
"898996"	213.046824	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-H"	-1.007276
"47902"	444.127471	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M-2H+NH4"	16.019271
"490379"	658.181571	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M-2H+NH4"	16.019271
"865993"	230.073371	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-2H+NH4"	16.019271
"32802"	449.082866	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M-2H+Na"	20.974666
"476735"	663.136966	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M-2H+Na"	20.974666
"853445"	235.028766	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-2H+Na"	20.974666
"1618846"	235.028766	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Na-2H"	20.974666
"98415"	231.035163	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M-H+Cl"	33.962126
"534692"	338.062213	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M-H+Cl"	33.962126
"929668"	124.008113	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-H+Cl"	33.962126
"271505"	463.077602	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+Cl"	34.969402
"662102"	677.131702	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+Cl"	34.969402
"1272902"	249.023502	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Cl"	34.969402
"15971"	465.056806	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M-2H+K"	36.948606
"455885"	679.110906	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M-2H+K"	36.948606
"834060"	251.002706	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-2H+K"	36.948606
"1555844"	251.002706	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+K-2H"	36.948606
"943120"	259.052294	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-H+HCOOH"	44.998194
"362186"	473.106401	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+HCOOH-H"	44.998201
"346551"	487.122051	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+Hac-H"	59.013851
"1495996"	273.067951	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Hac-H"	59.013851
"961349"	281.034251	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-H+NaCOOH"	66.980151
"112443"	249.023502	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+2Cl"	69.938804
"552007"	356.050552	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+2Cl"	69.938804
"1023722"	141.996452	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2Cl"	69.938804
"1249498"	292.972985	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Br"	78.918885
"1310855"	295.028972	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Cl+HCOOH"	80.974872
"1332369"	317.010929	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Cl+NaCOOH"	102.956829
"915773"	327.039686	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M-H+CF3COOH"	112.985586
"1293575"	363.016364	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Cl+CF3COOH"	148.962264
"1369915"	179.041424	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H-2H2O"	-35.012676
"1389234"	197.0514	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H-H2O"	-17.0027
"283133"	429.115476	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+H"	1.007276
"678066"	643.169576	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+H"	1.007276
"1354413"	215.061376	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H"	1.007276
"126937"	215.061376	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+2H"	2.014552
"566372"	322.088426	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+2H"	2.014552
"1038943"	108.034326	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2H"	2.014552
"205751"	143.710009333333	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+3H"	3.021828
"648592"	215.061376	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+3H"	3.021828
"1168905"	72.3586426666667	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+3H"	3.021828
"426709"	446.142023	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+NH4"	18.033823
"787701"	660.196123	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+NH4"	18.033823
"1681841"	232.087923	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+NH4"	18.033823
"333402"	223.5746495	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+H+NH4"	19.041099
"725093"	330.6016995	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+H+NH4"	19.041099
"1488390"	116.5475995	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H+NH4"	19.041099
"393184"	451.097418	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+Na"	22.989218
"756045"	665.151518	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+Na"	22.989218
"1604508"	237.043318	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Na"	22.989218
"316002"	226.052347	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+H+Na"	23.996494
"710976"	333.079397	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+H+Na"	23.996494
"1464435"	119.025297	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H+Na"	23.996494
"1053670"	79.6859566666667	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2H+Na"	25.00377
"1258260"	247.087586	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+CH3OH+H"	33.033486
"378298"	467.071358	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+K"	38.963158
"744767"	681.125458	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+K"	38.963158
"1545723"	253.017258	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+K"	38.963158
"305093"	234.039317	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+H+K"	39.970434
"698611"	341.066367	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+H+K"	39.970434
"1454617"	127.012267	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H+K"	39.970434
"239937"	470.142026	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+ACN+H"	42.033826
"1220301"	256.087926	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+ACN+H"	42.033826
"1202001"	128.547601	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+ACN+2H"	43.041102
"192319"	473.07936	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+2Na-H"	44.97116
"632607"	687.13346	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+2Na-H"	44.97116
"1135386"	259.02526	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2Na-H"	44.97116
"182325"	237.043318	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+2Na"	45.978436
"618603"	344.070368	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+2Na"	45.978436
"1118832"	130.016268	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2Na"	45.978436
"1405636"	87.0132706666667	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H+2Na"	46.985712
"1432647"	261.066846	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H+HCOOH"	47.012746
"221247"	242.07634	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+3H2O+2H"	56.04448
"1509065"	275.11889	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+IsoProp+H"	61.06479
"411549"	245.030288	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+Na+K"	61.952376
"771448"	352.057338	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+Na+K"	61.952376
"1668146"	138.003238	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Na+K"	61.952376
"251627"	492.123968	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+ACN+Na"	64.015768
"1227014"	278.069868	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+ACN+Na"	64.015768
"1713347"	278.093393	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+NH4+HCOOH"	64.039293
"1185997"	94.3405846666667	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+3Na"	68.967654
"1651880"	283.048788	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Na+HCOOH"	68.994688
"160316"	505.02724	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+2K-H"	76.91904
"598788"	719.08134	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+2K-H"	76.91904
"1085733"	290.97314	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2K-H"	76.91904
"151299"	253.017258	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"2M+2K"	77.926316
"583326"	360.044308	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"3M+2K"	77.926316
"1074280"	145.990208	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2K"	77.926316
"1103115"	292.987692	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2K+H"	78.933592
"1342783"	293.075307	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+DMSO+H"	79.021207
"1011311"	297.114476	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2ACN+H"	83.060376
"1529437"	298.108108	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+IsoProp+Na+H"	84.054008
"992605"	149.060876	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+2ACN+2H"	84.067652
"1589298"	299.022728	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+K+HCOOH"	84.968628
"1414832"	329.054238	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+H+CF3COOH"	115.000138
"1148162"	169.574151	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+3ACN+2H"	125.094202
"1701361"	346.080785	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+NH4+CF3COOH"	132.026685
"1643573"	351.03618	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+Na+CF3COOH"	136.98208
"1581412"	367.01012	"C06819"	"Amifostine"	"C5H15N2O3PS"	"214.0541"	"M+K+CF3COOH"	152.95602
"808500"	585.2857	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M"	0
"985314"	566.26731	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-H2O-H"	-19.01839
"72462"	389.183190666667	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M-3H"	-3.021828
"512023"	584.278424	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M-3H"	-3.021828
"889824"	194.087957333333	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-3H"	-3.021828
"10587"	584.278424	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M-2H"	-2.014552
"444680"	876.921274	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M-2H"	-2.014552
"826857"	291.635574	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-2H"	-2.014552
"87944"	1169.564124	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M-H"	-1.007276
"525315"	1754.849824	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M-H"	-1.007276
"900929"	584.278424	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-H"	-1.007276
"53117"	1186.590671	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M-2H+NH4"	16.019271
"491584"	1771.876371	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M-2H+NH4"	16.019271
"870479"	601.304971	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-2H+NH4"	16.019271
"37287"	1191.546066	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M-2H+Na"	20.974666
"475752"	1776.831766	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M-2H+Na"	20.974666
"857929"	606.260366	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-2H+Na"	20.974666
"1624181"	606.260366	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Na-2H"	20.974666
"98525"	602.266763	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M-H+Cl"	33.962126
"539181"	894.909613	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M-H+Cl"	33.962126
"930873"	309.623913	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-H+Cl"	33.962126
"268212"	1205.540802	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+Cl"	34.969402
"663672"	1790.826502	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+Cl"	34.969402
"1277901"	620.255102	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Cl"	34.969402
"16809"	1207.520006	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M-2H+K"	36.948606
"455747"	1792.805706	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M-2H+K"	36.948606
"833443"	622.234306	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-2H+K"	36.948606
"1556930"	622.234306	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+K-2H"	36.948606
"944085"	630.283894	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-H+HCOOH"	44.998194
"363028"	1215.569601	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+HCOOH-H"	44.998201
"349826"	1229.585251	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+Hac-H"	59.013851
"1496473"	644.299551	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Hac-H"	59.013851
"962193"	652.265851	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-H+NaCOOH"	66.980151
"115110"	620.255102	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+2Cl"	69.938804
"553941"	912.897952	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+2Cl"	69.938804
"1027115"	327.612252	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2Cl"	69.938804
"1245235"	664.204585	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Br"	78.918885
"1308413"	666.260572	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Cl+HCOOH"	80.974872
"1330293"	688.242529	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Cl+NaCOOH"	102.956829
"919165"	698.271286	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M-H+CF3COOH"	112.985586
"1302435"	734.247964	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Cl+CF3COOH"	148.962264
"1372941"	550.273024	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H-2H2O"	-35.012676
"1397971"	568.283	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H-H2O"	-17.0027
"283568"	1171.578676	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+H"	1.007276
"680362"	1756.864376	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+H"	1.007276
"1352700"	586.292976	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H"	1.007276
"125762"	586.292976	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+2H"	2.014552
"566244"	878.935826	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+2H"	2.014552
"1038081"	293.650126	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2H"	2.014552
"204768"	391.197742666667	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+3H"	3.021828
"645420"	586.292976	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+3H"	3.021828
"1163910"	196.102509333333	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+3H"	3.021828
"424632"	1188.605223	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+NH4"	18.033823
"789267"	1773.890923	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+NH4"	18.033823
"1684140"	603.319523	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+NH4"	18.033823
"330716"	594.8062495	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+H+NH4"	19.041099
"723254"	887.4490995	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+H+NH4"	19.041099
"1481940"	302.1633995	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H+NH4"	19.041099
"394063"	1193.560618	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+Na"	22.989218
"754445"	1778.846318	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+Na"	22.989218
"1604982"	608.274918	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Na"	22.989218
"318665"	597.283947	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+H+Na"	23.996494
"715460"	889.926797	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+H+Na"	23.996494
"1462719"	304.641097	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H+Na"	23.996494
"1054142"	203.429823333333	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2H+Na"	25.00377
"1258007"	618.319186	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+CH3OH+H"	33.033486
"379867"	1209.534558	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+K"	38.963158
"740136"	1794.820258	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+K"	38.963158
"1542554"	624.248858	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+K"	38.963158
"298923"	605.270917	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+H+K"	39.970434
"700909"	897.913767	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+H+K"	39.970434
"1450354"	312.628067	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H+K"	39.970434
"243331"	1212.605226	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+ACN+H"	42.033826
"1218225"	627.319526	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+ACN+H"	42.033826
"1196644"	314.163401	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+ACN+2H"	43.041102
"192797"	1215.54256	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+2Na-H"	44.97116
"632358"	1800.82826	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+2Na-H"	44.97116
"1132944"	630.25686	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2Na-H"	44.97116
"182435"	608.274918	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+2Na"	45.978436
"616892"	900.917768	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+2Na"	45.978436
"1121129"	315.632068	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2Na"	45.978436
"1402466"	210.757137333333	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H+2Na"	46.985712
"1430936"	632.298446	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H+HCOOH"	47.012746
"220305"	613.30794	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+3H2O+2H"	56.04448
"1509058"	646.35049	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+IsoProp+H"	61.06479
"410563"	616.261888	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+Na+K"	61.952376
"771198"	908.904738	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+Na+K"	61.952376
"1668620"	323.619038	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Na+K"	61.952376
"251496"	1234.587168	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+ACN+Na"	64.015768
"1229678"	649.301468	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+ACN+Na"	64.015768
"1719658"	649.324993	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+NH4+HCOOH"	64.039293
"1186108"	218.084451333333	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+3Na"	68.967654
"1658188"	654.280388	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Na+HCOOH"	68.994688
"162862"	1247.49044	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+2K-H"	76.91904
"600600"	1832.77614	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+2K-H"	76.91904
"1092406"	662.20474	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2K-H"	76.91904
"142904"	624.248858	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"2M+2K"	77.926316
"588783"	916.891708	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"3M+2K"	77.926316
"1072200"	331.606008	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2K"	77.926316
"1107598"	664.219292	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2K+H"	78.933592
"1345075"	664.306907	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+DMSO+H"	79.021207
"1009234"	668.346076	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2ACN+H"	83.060376
"1526266"	669.339708	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+IsoProp+Na+H"	84.054008
"990279"	334.676676	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+2ACN+2H"	84.067652
"1587580"	670.254328	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+K+HCOOH"	84.968628
"1415063"	700.285838	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+H+CF3COOH"	115.000138
"1147541"	355.189951	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+3ACN+2H"	125.094202
"1701470"	717.312385	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+NH4+CF3COOH"	132.026685
"1640402"	722.26778	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+Na+CF3COOH"	136.98208
"1581522"	738.24172	"C06820"	"Amikacin"	"C22H43N5O13"	"585.2857"	"M+K+CF3COOH"	152.95602
"815172"	229.0479	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M"	0
"986517"	210.02951	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-H2O-H"	-19.01839
"70385"	151.691324	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M-3H"	-3.021828
"513226"	228.040624	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M-3H"	-3.021828
"892122"	75.342024	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-3H"	-3.021828
"12886"	228.040624	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M-2H"	-2.014552
"448070"	342.564574	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M-2H"	-2.014552
"826970"	113.516674	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-2H"	-2.014552
"88055"	457.088524	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M-H"	-1.007276
"530897"	686.136424	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M-H"	-1.007276
"901044"	228.040624	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-H"	-1.007276
"54324"	474.115071	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M-2H+NH4"	16.019271
"494980"	703.162971	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M-2H+NH4"	16.019271
"871688"	245.067171	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-2H+NH4"	16.019271
"44813"	479.070466	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M-2H+Na"	20.974666
"484496"	708.118366	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M-2H+Na"	20.974666
"860231"	250.022566	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-2H+Na"	20.974666
"1622472"	250.022566	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Na-2H"	20.974666
"106293"	246.028963	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M-H+Cl"	33.962126
"545854"	360.552913	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M-H+Cl"	33.962126
"938275"	131.505013	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-H+Cl"	33.962126
"275738"	493.065202	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+Cl"	34.969402
"667428"	722.113102	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+Cl"	34.969402
"1279103"	264.017302	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Cl"	34.969402
"23118"	495.044406	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M-2H+K"	36.948606
"463406"	724.092306	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M-2H+K"	36.948606
"834281"	265.996506	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-2H+K"	36.948606
"1560323"	265.996506	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+K-2H"	36.948606
"948207"	274.046094	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-H+HCOOH"	44.998194
"366788"	503.094001	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+HCOOH-H"	44.998201
"349214"	517.109651	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+Hac-H"	59.013851
"1498412"	288.061751	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Hac-H"	59.013851
"963398"	296.028051	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-H+NaCOOH"	66.980151
"115586"	264.017302	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+2Cl"	69.938804
"555874"	378.541252	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+2Cl"	69.938804
"1028685"	149.493352	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2Cl"	69.938804
"1245345"	307.966785	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Br"	78.918885
"1308159"	310.022772	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Cl+HCOOH"	80.974872
"1331497"	332.004729	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Cl+NaCOOH"	102.956829
"923649"	342.033486	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M-H+CF3COOH"	112.985586
"1302545"	378.010164	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Cl+CF3COOH"	148.962264
"1379613"	194.035224	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H-2H2O"	-35.012676
"1396869"	212.0452	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H-H2O"	-17.0027
"295704"	459.103076	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+H"	1.007276
"683752"	688.150976	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+H"	1.007276
"1357915"	230.055176	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H"	1.007276
"130804"	230.055176	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+2H"	2.014552
"571458"	344.579126	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+2H"	2.014552
"1044632"	115.531226	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2H"	2.014552
"211437"	153.705876	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+3H"	3.021828
"649903"	230.055176	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+3H"	3.021828
"1166934"	77.356576	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+3H"	3.021828
"429114"	476.129623	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+NH4"	18.033823
"792294"	705.177523	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+NH4"	18.033823
"1688624"	247.081723	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+NH4"	18.033823
"335811"	238.5684495	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+H+NH4"	19.041099
"733697"	353.0923995	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+H+NH4"	19.041099
"1488613"	124.0444995	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H+NH4"	19.041099
"397454"	481.085018	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+Na"	22.989218
"755654"	710.132918	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+Na"	22.989218
"1605821"	252.037118	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Na"	22.989218
"322055"	241.046147	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+H+Na"	23.996494
"718850"	355.570097	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+H+Na"	23.996494
"1466476"	126.522197	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H+Na"	23.996494
"1056076"	84.68389	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2H+Na"	25.00377
"1262127"	262.081386	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+CH3OH+H"	33.033486
"379613"	497.058958	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+K"	38.963158
"740975"	726.106858	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+K"	38.963158
"1541573"	268.011058	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+K"	38.963158
"300938"	249.033117	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+H+K"	39.970434
"698830"	363.557067	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+H+K"	39.970434
"1454837"	134.509167	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H+K"	39.970434
"243442"	500.129626	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+ACN+H"	42.033826
"1217242"	271.081726	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+ACN+H"	42.033826
"1196025"	136.044501	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+ACN+2H"	43.041102
"197281"	503.06696	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+2Na-H"	44.97116
"632832"	732.11486	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+2Na-H"	44.97116
"1135973"	274.01906	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2Na-H"	44.97116
"181452"	252.037118	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+2Na"	45.978436
"615545"	366.561068	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+2Na"	45.978436
"1123427"	137.513168	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2Na"	45.978436
"1404764"	92.011204	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H+2Na"	46.985712
"1431776"	276.060646	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H+HCOOH"	47.012746
"225848"	257.07014	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+3H2O+2H"	56.04448
"1510264"	290.11269	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+IsoProp+H"	61.06479
"416511"	260.024088	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+Na+K"	61.952376
"773133"	374.548038	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+Na+K"	61.952376
"1668733"	145.500138	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Na+K"	61.952376
"253799"	522.111568	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+ACN+Na"	64.015768
"1230882"	293.063668	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+ACN+Na"	64.015768
"1719770"	293.087193	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+NH4+HCOOH"	64.039293
"1186218"	99.338518	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+3Na"	68.967654
"1657206"	298.042588	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Na+HCOOH"	68.994688
"165160"	535.01484	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+2K-H"	76.91904
"600710"	764.06274	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+2K-H"	76.91904
"1088138"	305.96694	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2K-H"	76.91904
"142769"	268.011058	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"2M+2K"	77.926316
"586704"	382.535008	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"3M+2K"	77.926316
"1073403"	153.487108	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2K"	77.926316
"1106610"	307.981492	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2K+H"	78.933592
"1341905"	308.069107	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+DMSO+H"	79.021207
"1007030"	312.108276	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2ACN+H"	83.060376
"1525522"	313.101908	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+IsoProp+Na+H"	84.054008
"996107"	156.557776	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+2ACN+2H"	84.067652
"1592795"	314.016528	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+K+HCOOH"	84.968628
"1415052"	344.048038	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+H+CF3COOH"	115.000138
"1147529"	177.071051	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+3ACN+2H"	125.094202
"1700488"	361.074585	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+NH4+CF3COOH"	132.026685
"1643793"	366.02998	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+Na+CF3COOH"	136.98208
"1581632"	382.00392	"C06821"	"Amiloride"	"C6H8ClN7O"	"229.0479"	"M+K+CF3COOH"	152.95602
"815892"	645.0237	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M"	0
"984442"	626.00531	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-H2O-H"	-19.01839
"77059"	429.008524	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M-3H"	-3.021828
"513340"	644.016424	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M-3H"	-3.021828
"891141"	214.000624	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-3H"	-3.021828
"10811"	644.016424	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M-2H"	-2.014552
"450372"	966.528274	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M-2H"	-2.014552
"825987"	321.504574	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-2H"	-2.014552
"90352"	1289.040124	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M-H"	-1.007276
"529914"	1934.063824	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M-H"	-1.007276
"905527"	644.016424	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-H"	-1.007276
"55530"	1306.066671	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M-2H+NH4"	16.019271
"495089"	1951.090371	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M-2H+NH4"	16.019271
"872892"	661.042971	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-2H+NH4"	16.019271
"45044"	1311.022066	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M-2H+Na"	20.974666
"484726"	1956.045766	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M-2H+Na"	20.974666
"858153"	665.998366	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-2H+Na"	20.974666
"1628777"	665.998366	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Na-2H"	20.974666
"104213"	662.004763	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M-H+Cl"	33.962126
"543776"	984.516613	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M-H+Cl"	33.962126
"935104"	339.492913	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-H+Cl"	33.962126
"276939"	1325.016802	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+Cl"	34.969402
"670816"	1970.040502	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+Cl"	34.969402
"1279942"	679.993102	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Cl"	34.969402
"23957"	1326.996006	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M-2H+K"	36.948606
"464974"	1972.019706	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M-2H+K"	36.948606
"836943"	681.972306	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-2H+K"	36.948606
"1561893"	681.972306	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+K-2H"	36.948606
"951963"	690.021894	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-H+HCOOH"	44.998194
"370178"	1335.045601	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+HCOOH-H"	44.998201
"349687"	1349.061251	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+Hac-H"	59.013851
"1500708"	704.037551	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Hac-H"	59.013851
"963507"	712.003851	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-H+NaCOOH"	66.980151
"116789"	679.993102	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+2Cl"	69.938804
"556714"	1002.504952	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+2Cl"	69.938804
"1024417"	357.481252	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2Cl"	69.938804
"1244360"	723.942585	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Br"	78.918885
"1306444"	725.998572	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Cl+HCOOH"	80.974872
"1333793"	747.980529	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Cl+NaCOOH"	102.956829
"919385"	758.009286	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M-H+CF3COOH"	112.985586
"1302655"	793.985964	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Cl+CF3COOH"	148.962264
"1378630"	610.011024	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H-2H2O"	-35.012676
"1391752"	628.021	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H-H2O"	-17.0027
"296906"	1291.054676	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+H"	1.007276
"687142"	1936.078376	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+H"	1.007276
"1359118"	646.030976	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H"	1.007276
"130914"	646.030976	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+2H"	2.014552
"571569"	968.542826	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+2H"	2.014552
"1044742"	323.519126	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2H"	2.014552
"211547"	431.023076	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+3H"	3.021828
"650017"	646.030976	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+3H"	3.021828
"1168142"	216.015176	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+3H"	3.021828
"429228"	1308.081223	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+NH4"	18.033823
"794591"	1953.104923	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+NH4"	18.033823
"1689829"	663.057523	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+NH4"	18.033823
"337016"	654.5442495	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+H+NH4"	19.041099
"728342"	977.0560995	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+H+NH4"	19.041099
"1482161"	332.0323995	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H+NH4"	19.041099
"396471"	1313.036618	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+Na"	22.989218
"762938"	1958.060318	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+Na"	22.989218
"1611037"	668.012918	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Na"	22.989218
"323261"	657.021947	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+H+Na"	23.996494
"712766"	979.533797	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+H+Na"	23.996494
"1465127"	334.510097	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H+Na"	23.996494
"1055825"	223.34249	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2H+Na"	25.00377
"1260417"	678.057186	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+CH3OH+H"	33.033486
"378269"	1329.010558	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+K"	38.963158
"740720"	1974.034258	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+K"	38.963158
"1541679"	683.986858	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+K"	38.963158
"308707"	665.008917	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+H+K"	39.970434
"698939"	987.520767	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+H+K"	39.970434
"1454947"	342.497067	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H+K"	39.970434
"242459"	1332.081226	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+ACN+H"	42.033826
"1217352"	687.057526	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+ACN+H"	42.033826
"1198684"	344.032401	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+ACN+2H"	43.041102
"191193"	1335.01856	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+2Na-H"	44.97116
"632578"	1980.04226	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+2Na-H"	44.97116
"1135352"	689.99486	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2Na-H"	44.97116
"181562"	668.012918	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+2Na"	45.978436
"618935"	990.524768	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+2Na"	45.978436
"1123538"	345.501068	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2Na"	45.978436
"1405967"	230.669804	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H+2Na"	46.985712
"1435167"	692.036446	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H+HCOOH"	47.012746
"224497"	673.04594	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+3H2O+2H"	56.04448
"1512925"	706.08849	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+IsoProp+H"	61.06479
"415528"	675.999888	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+Na+K"	61.952376
"773243"	998.511738	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+Na+K"	61.952376
"1669573"	353.488038	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Na+K"	61.952376
"254276"	1354.063168	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+ACN+Na"	64.015768
"1226986"	709.039468	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+ACN+Na"	64.015768
"1719881"	709.062993	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+NH4+HCOOH"	64.039293
"1183413"	237.997118	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+3Na"	68.967654
"1655133"	714.018388	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Na+HCOOH"	68.994688
"165271"	1366.96644	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+2K-H"	76.91904
"600459"	2011.99014	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+2K-H"	76.91904
"1089345"	721.94274	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2K-H"	76.91904
"142880"	683.986858	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"2M+2K"	77.926316
"585721"	1006.498708	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"3M+2K"	77.926316
"1071327"	361.475008	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2K"	77.926316
"1104537"	723.957292	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2K+H"	78.933592
"1343108"	724.044907	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+DMSO+H"	79.021207
"1012737"	728.084076	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2ACN+H"	83.060376
"1530862"	729.077708	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+IsoProp+Na+H"	84.054008
"997311"	364.545676	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+2ACN+2H"	84.067652
"1594004"	729.992328	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+K+HCOOH"	84.968628
"1414801"	760.023838	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+H+CF3COOH"	115.000138
"1147104"	385.058951	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+3ACN+2H"	125.094202
"1700599"	777.050385	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+NH4+CF3COOH"	132.026685
"1643904"	782.00578	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+Na+CF3COOH"	136.98208
"1581742"	797.97972	"C06823"	"Amiodarone"	"C25H29I2NO3"	"645.0237"	"M+K+CF3COOH"	152.95602
"816947"	277.1831	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M"	0
"986740"	258.16471	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-H2O-H"	-19.01839
"76077"	183.781457333333	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M-3H"	-3.021828
"516732"	276.175824	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M-3H"	-3.021828
"894533"	91.3870906666667	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-3H"	-3.021828
"9828"	276.175824	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M-2H"	-2.014552
"450482"	414.767374	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M-2H"	-2.014552
"828284"	137.584274	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-2H"	-2.014552
"90462"	553.358924	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M-H"	-1.007276
"531117"	830.542024	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M-H"	-1.007276
"904544"	276.175824	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-H"	-1.007276
"60014"	570.385471	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M-2H+NH4"	16.019271
"494106"	847.568571	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M-2H+NH4"	16.019271
"870815"	293.202371	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-2H+NH4"	16.019271
"45275"	575.340866	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M-2H+Na"	20.974666
"484833"	852.523966	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M-2H+Na"	20.974666
"861540"	298.157766	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-2H+Na"	20.974666
"1628886"	298.157766	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Na-2H"	20.974666
"105416"	294.164163	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M-H+Cl"	33.962126
"546071"	432.755713	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M-H+Cl"	33.962126
"937400"	155.572613	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-H+Cl"	33.962126
"277049"	589.335602	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+Cl"	34.969402
"668375"	866.518702	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+Cl"	34.969402
"1279689"	312.152502	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Cl"	34.969402
"21151"	591.314806	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M-2H+K"	36.948606
"461804"	868.497906	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M-2H+K"	36.948606
"834256"	314.131706	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-2H+K"	36.948606
"1559087"	314.131706	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+K-2H"	36.948606
"944418"	322.181294	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-H+HCOOH"	44.998194
"367006"	599.364401	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+HCOOH-H"	44.998201
"351985"	613.380051	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+Hac-H"	59.013851
"1499725"	336.196951	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Hac-H"	59.013851
"967264"	344.163251	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-H+NaCOOH"	66.980151
"117265"	312.152502	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+2Cl"	69.938804
"559012"	450.744052	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+2Cl"	69.938804
"1022340"	173.560952	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2Cl"	69.938804
"1244834"	356.101985	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Br"	78.918885
"1309837"	358.157972	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Cl+HCOOH"	80.974872
"1329530"	380.139929	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Cl+NaCOOH"	102.956829
"916215"	390.168686	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M-H+CF3COOH"	112.985586
"1298392"	426.145364	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Cl+CF3COOH"	148.962264
"1378740"	242.170424	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H-2H2O"	-35.012676
"1390769"	260.1804	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H-H2O"	-17.0027
"290456"	555.373476	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+H"	1.007276
"682878"	832.556576	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+H"	1.007276
"1355948"	278.190376	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H"	1.007276
"131025"	278.190376	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+2H"	2.014552
"574959"	416.781926	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+2H"	2.014552
"1044852"	139.598826	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2H"	2.014552
"210565"	185.796009333333	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+3H"	3.021828
"651221"	278.190376	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+3H"	3.021828
"1170439"	93.4016426666667	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+3H"	3.021828
"429338"	572.400023	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+NH4"	18.033823
"793608"	849.583123	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+NH4"	18.033823
"1691032"	295.216923	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+NH4"	18.033823
"337126"	286.7036495	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+H+NH4"	19.041099
"728452"	425.2951995	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+H+NH4"	19.041099
"1483365"	148.1120995	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H+NH4"	19.041099
"396581"	577.355418	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+Na"	22.989218
"760862"	854.538518	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+Na"	22.989218
"1608231"	300.172318	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Na"	22.989218
"321185"	289.181347	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+H+Na"	23.996494
"712147"	427.772897	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+H+Na"	23.996494
"1466330"	150.589797	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H+Na"	23.996494
"1055206"	100.728956666667	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2H+Na"	25.00377
"1259797"	310.216586	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+CH3OH+H"	33.033486
"378743"	593.329358	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+K"	38.963158
"739373"	870.512458	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+K"	38.963158
"1541424"	316.146258	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+K"	38.963158
"308817"	297.168317	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+H+K"	39.970434
"699049"	435.759867	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+H+K"	39.970434
"1455057"	158.576767	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H+K"	39.970434
"245848"	596.400026	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+ACN+H"	42.033826
"1219649"	319.216926	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+ACN+H"	42.033826
"1200253"	160.112101	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+ACN+2H"	43.041102
"193124"	599.33736	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+2Na-H"	44.97116
"632320"	876.52046	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+2Na-H"	44.97116
"1135461"	322.15426	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2Na-H"	44.97116
"175106"	300.172318	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+2Na"	45.978436
"616493"	438.763868	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+2Na"	45.978436
"1124740"	161.580768	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2Na"	45.978436
"1407170"	108.056270666667	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H+2Na"	46.985712
"1434184"	324.195846	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H+HCOOH"	47.012746
"228982"	305.20534	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+3H2O+2H"	56.04448
"1511577"	338.24789	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+IsoProp+H"	61.06479
"412721"	308.159288	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+Na+K"	61.952376
"774080"	446.750838	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+Na+K"	61.952376
"1668952"	169.567738	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Na+K"	61.952376
"257302"	618.381968	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+ACN+Na"	64.015768
"1233294"	341.198868	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+ACN+Na"	64.015768
"1717076"	341.222393	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+NH4+HCOOH"	64.039293
"1187533"	115.383584666667	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+3Na"	68.967654
"1658521"	346.177788	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Na+HCOOH"	68.994688
"165381"	631.28524	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+2K-H"	76.91904
"601663"	908.46834	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+2K-H"	76.91904
"1087269"	354.10214	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2K-H"	76.91904
"147365"	316.146258	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"2M+2K"	77.926316
"585832"	454.737808	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"3M+2K"	77.926316
"1070467"	177.554708	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2K"	77.926316
"1102825"	356.116692	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2K+H"	78.933592
"1342125"	356.204307	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+DMSO+H"	79.021207
"1016126"	360.243476	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2ACN+H"	83.060376
"1533158"	361.237108	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+IsoProp+Na+H"	84.054008
"999607"	180.625376	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+2ACN+2H"	84.067652
"1597393"	362.151728	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+K+HCOOH"	84.968628
"1414588"	392.183238	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+H+CF3COOH"	115.000138
"1151157"	201.138651	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+3ACN+2H"	125.094202
"1700709"	409.209785	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+NH4+CF3COOH"	132.026685
"1647294"	414.16518	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+Na+CF3COOH"	136.98208
"1581852"	430.13912	"C06824"	"Amitriptyline"	"C20H23N"	"277.1831"	"M+K+CF3COOH"	152.95602
"814412"	408.1452	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M"	0
"987580"	389.12681	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-H2O-H"	-19.01839
"76917"	271.089524	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M-3H"	-3.021828
"515749"	407.137924	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M-3H"	-3.021828
"893549"	135.041124	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-3H"	-3.021828
"13218"	407.137924	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M-2H"	-2.014552
"450592"	611.210524	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M-2H"	-2.014552
"831674"	203.065324	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-2H"	-2.014552
"90572"	815.283124	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M-H"	-1.007276
"529039"	1223.428324	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M-H"	-1.007276
"905747"	407.137924	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-H"	-1.007276
"59031"	832.309671	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M-2H+NH4"	16.019271
"497497"	1240.454871	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M-2H+NH4"	16.019271
"872018"	424.164471	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-2H+NH4"	16.019271
"44291"	837.265066	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M-2H+Na"	20.974666
"483851"	1245.410266	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M-2H+Na"	20.974666
"858368"	429.119866	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-2H+Na"	20.974666
"1631183"	429.119866	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Na-2H"	20.974666
"107715"	425.126263	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M-H+Cl"	33.962126
"546181"	629.198863	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M-H+Cl"	33.962126
"937510"	221.053663	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-H+Cl"	33.962126
"274972"	851.259802	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+Cl"	34.969402
"667392"	1259.405002	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+Cl"	34.969402
"1279799"	443.114602	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Cl"	34.969402
"22355"	853.239006	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M-2H+K"	36.948606
"468474"	1261.384206	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M-2H+K"	36.948606
"835345"	445.093806	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-2H+K"	36.948606
"1562114"	445.093806	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+K-2H"	36.948606
"945621"	453.143394	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-H+HCOOH"	44.998194
"367116"	861.288601	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+HCOOH-H"	44.998201
"354282"	875.304251	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+Hac-H"	59.013851
"1500928"	467.159051	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Hac-H"	59.013851
"969561"	475.125351	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-H+NaCOOH"	66.980151
"114096"	443.114602	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+2Cl"	69.938804
"559122"	647.187202	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+2Cl"	69.938804
"1030107"	239.042002	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2Cl"	69.938804
"1249686"	487.064085	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Br"	78.918885
"1315415"	489.120072	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Cl+HCOOH"	80.974872
"1326349"	511.102029	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Cl+NaCOOH"	102.956829
"916325"	521.130786	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M-H+CF3COOH"	112.985586
"1298502"	557.107464	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Cl+CF3COOH"	148.962264
"1375570"	373.132524	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H-2H2O"	-35.012676
"1393066"	391.1425	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H-H2O"	-17.0027
"288379"	817.297676	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+H"	1.007276
"679708"	1225.442876	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+H"	1.007276
"1356058"	409.152476	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H"	1.007276
"130405"	409.152476	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+2H"	2.014552
"573976"	613.225076	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+2H"	2.014552
"1044962"	205.079876	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2H"	2.014552
"209582"	273.104076	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+3H"	3.021828
"651331"	409.152476	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+3H"	3.021828
"1168362"	137.055676	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+3H"	3.021828
"430541"	834.324223	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+NH4"	18.033823
"791533"	1242.469423	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+NH4"	18.033823
"1693329"	426.179023	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+NH4"	18.033823
"339422"	417.6657495	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+H+NH4"	19.041099
"730749"	621.7383495	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+H+NH4"	19.041099
"1484569"	213.5931495	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H+NH4"	19.041099
"397784"	839.279618	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+Na"	22.989218
"763159"	1247.424818	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+Na"	22.989218
"1610164"	431.134418	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Na"	22.989218
"321295"	420.143447	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+H+Na"	23.996494
"714808"	624.216047	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+H+Na"	23.996494
"1466440"	216.070847	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H+Na"	23.996494
"1056041"	144.38299	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2H+Na"	25.00377
"1264642"	441.178686	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+CH3OH+H"	33.033486
"381041"	855.253558	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+K"	38.963158
"739483"	1263.398758	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+K"	38.963158
"1541899"	447.108358	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+K"	38.963158
"307834"	428.130417	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+H+K"	39.970434
"695879"	632.203017	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+H+K"	39.970434
"1455167"	224.057817	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H+K"	39.970434
"245960"	858.324226	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+ACN+H"	42.033826
"1220852"	450.179026	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+ACN+H"	42.033826
"1200363"	225.593151	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+ACN+2H"	43.041102
"193599"	861.26156	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+2Na-H"	44.97116
"633161"	1269.40676	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+2Na-H"	44.97116
"1135574"	453.11636	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2Na-H"	44.97116
"174851"	431.134418	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+2Na"	45.978436
"619155"	635.207018	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+2Na"	45.978436
"1127036"	227.061818	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2Na"	45.978436
"1407280"	151.710304	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H+2Na"	46.985712
"1436116"	455.157946	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H+HCOOH"	47.012746
"222530"	436.16744	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+3H2O+2H"	56.04448
"1510592"	469.20999	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+IsoProp+H"	61.06479
"413561"	439.121388	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+Na+K"	61.952376
"777836"	643.193988	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+Na+K"	61.952376
"1676352"	235.048788	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Na+K"	61.952376
"254856"	880.306168	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+ACN+Na"	64.015768
"1230118"	472.160968	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+ACN+Na"	64.015768
"1716823"	472.184493	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+NH4+HCOOH"	64.039293
"1185455"	159.037618	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+3Na"	68.967654
"1656444"	477.139888	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Na+HCOOH"	68.994688
"161117"	893.20944	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+2K-H"	76.91904
"601773"	1301.35464	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+2K-H"	76.91904
"1090660"	485.06424	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2K-H"	76.91904
"146382"	447.108358	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"2M+2K"	77.926316
"588130"	651.180958	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"3M+2K"	77.926316
"1074830"	243.035758	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2K"	77.926316
"1105850"	487.078792	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2K+H"	78.933592
"1342235"	487.166407	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+DMSO+H"	79.021207
"1015143"	491.205576	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2ACN+H"	83.060376
"1533268"	492.199208	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+IsoProp+Na+H"	84.054008
"1002997"	246.106426	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+2ACN+2H"	84.067652
"1600419"	493.113828	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+K+HCOOH"	84.968628
"1420974"	523.145338	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+H+CF3COOH"	115.000138
"1149080"	266.619701	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+3ACN+2H"	125.094202
"1700819"	540.171885	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+NH4+CF3COOH"	132.026685
"1647404"	545.12728	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+Na+CF3COOH"	136.98208
"1581962"	561.10122	"C06825"	"Amlodipine"	"C20H25ClN2O5"	"408.1452"	"M+K+CF3COOH"	152.95602
"815614"	365.1045	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M"	0
"988054"	346.08611	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-H2O-H"	-19.01839
"75205"	242.395724	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M-3H"	-3.021828
"513672"	364.097224	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M-3H"	-3.021828
"891472"	120.694224	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-3H"	-3.021828
"10048"	364.097224	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M-2H"	-2.014552
"449608"	546.649474	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M-2H"	-2.014552
"828504"	181.544974	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-2H"	-2.014552
"94246"	729.201724	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M-H"	-1.007276
"529149"	1094.306224	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M-H"	-1.007276
"905857"	364.097224	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-H"	-1.007276
"60234"	746.228271	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M-2H+NH4"	16.019271
"497607"	1111.332771	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M-2H+NH4"	16.019271
"874314"	381.123771	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-2H+NH4"	16.019271
"42213"	751.183666	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M-2H+Na"	20.974666
"482867"	1116.288166	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M-2H+Na"	20.974666
"857386"	386.079166	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-2H+Na"	20.974666
"1631293"	386.079166	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Na-2H"	20.974666
"105637"	382.085563	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M-H+Cl"	33.962126
"548237"	564.637813	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M-H+Cl"	33.962126
"935433"	199.533313	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-H+Cl"	33.962126
"276175"	765.178402	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+Cl"	34.969402
"667502"	1130.282902	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+Cl"	34.969402
"1277722"	400.073902	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Cl"	34.969402
"23558"	767.157606	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M-2H+K"	36.948606
"460930"	1132.262106	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M-2H+K"	36.948606
"835454"	402.053106	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-2H+K"	36.948606
"1558944"	402.053106	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+K-2H"	36.948606
"946825"	410.102694	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-H+HCOOH"	44.998194
"363946"	775.207201	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+HCOOH-H"	44.998201
"353299"	789.222851	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+Hac-H"	59.013851
"1498850"	424.118351	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Hac-H"	59.013851
"963111"	432.084651	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-H+NaCOOH"	66.980151
"110678"	400.073902	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+2Cl"	69.938804
"560326"	582.626152	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+2Cl"	69.938804
"1026939"	217.521652	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2Cl"	69.938804
"1247610"	444.023385	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Br"	78.918885
"1312243"	446.079372	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Cl+HCOOH"	80.974872
"1326458"	468.061329	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Cl+NaCOOH"	102.956829
"916435"	478.090086	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M-H+CF3COOH"	112.985586
"1297519"	514.066764	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Cl+CF3COOH"	148.962264
"1372400"	330.091824	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H-2H2O"	-35.012676
"1389896"	348.1018	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H-H2O"	-17.0027
"283749"	731.216276	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+H"	1.007276
"676902"	1096.320776	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+H"	1.007276
"1355075"	366.111776	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H"	1.007276
"131244"	366.111776	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+2H"	2.014552
"572993"	548.664026	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+2H"	2.014552
"1045072"	183.559526	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2H"	2.014552
"209692"	244.410276	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+3H"	3.021828
"651441"	366.111776	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+3H"	3.021828
"1170659"	122.708776	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+3H"	3.021828
"429558"	748.242823	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+NH4"	18.033823
"792736"	1113.347323	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+NH4"	18.033823
"1689065"	383.138323	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+NH4"	18.033823
"339531"	374.6250495	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+H+NH4"	19.041099
"730859"	557.1772995	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+H+NH4"	19.041099
"1485772"	192.0727995	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H+NH4"	19.041099
"396801"	753.198218	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+Na"	22.989218
"761082"	1118.302718	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+Na"	22.989218
"1611367"	388.093718	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Na"	22.989218
"324684"	377.102747	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+H+Na"	23.996494
"717104"	559.654997	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+H+Na"	23.996494
"1464364"	194.550497	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H+Na"	23.996494
"1056151"	130.03609	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2H+Na"	25.00377
"1263659"	398.137986	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+CH3OH+H"	33.033486
"381151"	769.172158	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+K"	38.963158
"741415"	1134.276658	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+K"	38.963158
"1540551"	404.067658	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+K"	38.963158
"310130"	385.089717	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+H+K"	39.970434
"695989"	567.641967	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+H+K"	39.970434
"1455277"	202.537467	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H+K"	39.970434
"247163"	772.242826	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+ACN+H"	42.033826
"1220962"	407.138326	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+ACN+H"	42.033826
"1199380"	204.072801	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+ACN+2H"	43.041102
"193345"	775.18016	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+2Na-H"	44.97116
"632541"	1140.28466	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+2Na-H"	44.97116
"1136048"	410.07566	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2Na-H"	44.97116
"176054"	388.093718	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+2Na"	45.978436
"619265"	570.645968	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+2Na"	45.978436
"1120950"	205.541468	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2Na"	45.978436
"1404474"	137.363404	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H+2Na"	46.985712
"1435497"	412.117246	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H+HCOOH"	47.012746
"222640"	393.12674	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+3H2O+2H"	56.04448
"1509608"	426.16929	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+IsoProp+H"	61.06479
"412211"	396.080688	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+Na+K"	61.952376
"773572"	578.632938	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+Na+K"	61.952376
"1669172"	213.528438	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Na+K"	61.952376
"255696"	794.224768	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+ACN+Na"	64.015768
"1230227"	429.120268	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+ACN+Na"	64.015768
"1719119"	429.143793	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+NH4+HCOOH"	64.039293
"1183741"	144.690718	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+3Na"	68.967654
"1654730"	434.099188	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Na+HCOOH"	68.994688
"158673"	807.12804	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+2K-H"	76.91904
"601883"	1172.23254	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+2K-H"	76.91904
"1088583"	442.02354	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2K-H"	76.91904
"145399"	404.067658	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"2M+2K"	77.926316
"588240"	586.619908	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"3M+2K"	77.926316
"1074940"	221.515408	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2K"	77.926316
"1104867"	444.038092	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2K+H"	78.933592
"1341252"	444.125707	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+DMSO+H"	79.021207
"1015253"	448.164876	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2ACN+H"	83.060376
"1531191"	449.158508	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+IsoProp+Na+H"	84.054008
"1003107"	224.586076	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+2ACN+2H"	84.067652
"1596518"	450.073128	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+K+HCOOH"	84.968628
"1421084"	480.104638	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+H+CF3COOH"	115.000138
"1149190"	245.099351	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+3ACN+2H"	125.094202
"1700929"	497.131185	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+NH4+CF3COOH"	132.026685
"1647514"	502.08658	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+Na+CF3COOH"	136.98208
"1582072"	518.06052	"C06827"	"Amoxicillin;Amoxicillin anhydrous"	"C16H19N3O5S"	"365.1045"	"M+K+CF3COOH"	152.95602
"815727"	361.1616	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M"	0
"987801"	342.14321	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-H2O-H"	-19.01839
"72035"	239.767124	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M-3H"	-3.021828
"517063"	360.154324	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M-3H"	-3.021828
"893771"	119.379924	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-3H"	-3.021828
"14658"	360.154324	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M-2H"	-2.014552
"450814"	540.735124	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M-2H"	-2.014552
"832263"	179.573524	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-2H"	-2.014552
"90795"	721.315924	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M-H"	-1.007276
"533029"	1082.477524	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M-H"	-1.007276
"905970"	360.154324	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-H"	-1.007276
"60343"	738.342471	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M-2H+NH4"	16.019271
"500996"	1099.504071	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M-2H+NH4"	16.019271
"876610"	377.180871	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-2H+NH4"	16.019271
"41228"	743.297866	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M-2H+Na"	20.974666
"479695"	1104.459466	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M-2H+Na"	20.974666
"857497"	382.136266	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-2H+Na"	20.974666
"1632137"	382.136266	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Na-2H"	20.974666
"107935"	378.142663	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M-H+Cl"	33.962126
"548958"	558.723463	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M-H+Cl"	33.962126
"935544"	197.561863	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-H+Cl"	33.962126
"279566"	757.292602	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+Cl"	34.969402
"664335"	1118.454202	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+Cl"	34.969402
"1280020"	396.131002	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Cl"	34.969402
"19298"	759.271806	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M-2H+K"	36.948606
"461044"	1120.433406	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M-2H+K"	36.948606
"835565"	398.110206	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-2H+K"	36.948606
"1560144"	398.110206	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+K-2H"	36.948606
"950215"	406.159794	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-H+HCOOH"	44.998194
"369524"	767.321401	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+HCOOH-H"	44.998201
"347941"	781.337051	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+Hac-H"	59.013851
"1495681"	420.175451	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Hac-H"	59.013851
"959695"	428.141751	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-H+NaCOOH"	66.980151
"111517"	396.131002	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+2Cl"	69.938804
"556062"	576.711802	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+2Cl"	69.938804
"1030328"	215.550202	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2Cl"	69.938804
"1248083"	440.080485	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Br"	78.918885
"1309803"	442.136472	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Cl+HCOOH"	80.974872
"1323654"	464.118429	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Cl+NaCOOH"	102.956829
"915078"	474.147186	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M-H+CF3COOH"	112.985586
"1290699"	510.123864	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Cl+CF3COOH"	148.962264
"1376883"	326.148924	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H-2H2O"	-35.012676
"1386728"	344.1589	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H-H2O"	-17.0027
"284590"	723.330476	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+H"	1.007276
"681023"	1084.492076	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+H"	1.007276
"1359558"	362.168876	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H"	1.007276
"132448"	362.168876	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+2H"	2.014552
"580516"	542.749676	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+2H"	2.014552
"1050651"	181.588076	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2H"	2.014552
"214178"	241.781676	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+3H"	3.021828
"651551"	362.168876	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+3H"	3.021828
"1171863"	121.394476	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+3H"	3.021828
"429668"	740.357023	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+NH4"	18.033823
"793940"	1101.518623	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+NH4"	18.033823
"1689178"	379.195423	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+NH4"	18.033823
"339642"	370.6821495	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+H+NH4"	19.041099
"729878"	551.2629495	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+H+NH4"	19.041099
"1484791"	190.1013495	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H+NH4"	19.041099
"399096"	745.312418	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+Na"	22.989218
"757910"	1106.474018	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+Na"	22.989218
"1607104"	384.150818	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Na"	22.989218
"315317"	373.159847	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+H+Na"	23.996494
"710655"	553.740647	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+H+Na"	23.996494
"1462287"	192.579047	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H+Na"	23.996494
"1053827"	128.72179	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2H+Na"	25.00377
"1258543"	394.195086	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+CH3OH+H"	33.033486
"377844"	761.286358	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+K"	38.963158
"738885"	1122.447958	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+K"	38.963158
"1542119"	400.124758	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+K"	38.963158
"301488"	381.146817	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+H+K"	39.970434
"693912"	561.727617	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+H+K"	39.970434
"1455387"	200.566017	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H+K"	39.970434
"245086"	764.357026	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+ACN+H"	42.033826
"1215606"	403.195426	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+ACN+H"	42.033826
"1199494"	202.101351	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+ACN+2H"	43.041102
"194551"	767.29436	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+2Na-H"	44.97116
"634111"	1128.45596	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+2Na-H"	44.97116
"1135791"	406.13276	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2Na-H"	44.97116
"180909"	384.150818	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+2Na"	45.978436
"618281"	564.731618	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+2Na"	45.978436
"1122154"	203.570018	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2Na"	45.978436
"1401668"	136.049104	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H+2Na"	46.985712
"1433055"	408.174346	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H+HCOOH"	47.012746
"224209"	389.18384	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+3H2O+2H"	56.04448
"1509351"	422.22639	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+IsoProp+H"	61.06479
"413416"	392.137788	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+Na+K"	61.952376
"771495"	572.718588	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+Na+K"	61.952376
"1667460"	211.556988	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Na+K"	61.952376
"251669"	786.338968	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+ACN+Na"	64.015768
"1226078"	425.177368	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+ACN+Na"	64.015768
"1713023"	425.200893	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+NH4+HCOOH"	64.039293
"1178740"	143.376418	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+3Na"	68.967654
"1657758"	430.156288	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Na+HCOOH"	68.994688
"162432"	799.24224	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+2K-H"	76.91904
"606367"	1160.40384	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+2K-H"	76.91904
"1091973"	438.08064	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2K-H"	76.91904
"147696"	400.124758	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"2M+2K"	77.926316
"588351"	580.705558	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"3M+2K"	77.926316
"1078330"	219.543958	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2K"	77.926316
"1108260"	440.095192	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2K+H"	78.933592
"1345739"	440.182807	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+DMSO+H"	79.021207
"1014269"	444.221976	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2ACN+H"	83.060376
"1530207"	445.215608	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+IsoProp+Na+H"	84.054008
"1001030"	222.614626	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+2ACN+2H"	84.067652
"1593347"	446.130228	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+K+HCOOH"	84.968628
"1416819"	476.161738	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+H+CF3COOH"	115.000138
"1150389"	243.127901	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+3ACN+2H"	125.094202
"1706504"	493.188285	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+NH4+CF3COOH"	132.026685
"1645436"	498.14368	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+Na+CF3COOH"	136.98208
"1578898"	514.11762	"C06830"	"Anisotropine methylbromide;Methyloctatropine bromide"	"C17H32NO2Br"	"361.1616"	"M+K+CF3COOH"	152.95602
"815835"	226.063	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M"	0
"984991"	207.04461	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-H2O-H"	-19.01839
"75425"	149.701390666667	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M-3H"	-3.021828
"513891"	225.055724	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M-3H"	-3.021828
"889502"	74.3470573333333	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-3H"	-3.021828
"12453"	225.055724	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M-2H"	-2.014552
"452016"	338.087224	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M-2H"	-2.014552
"832375"	112.024224	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-2H"	-2.014552
"91998"	451.118724	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M-H"	-1.007276
"528277"	677.181724	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M-H"	-1.007276
"907172"	225.055724	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-H"	-1.007276
"57173"	468.145271	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M-2H+NH4"	16.019271
"500014"	694.208271	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M-2H+NH4"	16.019271
"879476"	242.082271	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-2H+NH4"	16.019271
"45351"	473.100666	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M-2H+Na"	20.974666
"477617"	699.163666	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M-2H+Na"	20.974666
"863688"	247.037666	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-2H+Na"	20.974666
"1629329"	247.037666	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Na-2H"	20.974666
"106952"	243.044063	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M-H+Cl"	33.962126
"549558"	356.075563	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M-H+Cl"	33.962126
"935654"	130.012563	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-H+Cl"	33.962126
"276398"	487.095402	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+Cl"	34.969402
"669913"	713.158402	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+Cl"	34.969402
"1277945"	261.032402	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Cl"	34.969402
"19769"	489.074606	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M-2H+K"	36.948606
"458965"	715.137606	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M-2H+K"	36.948606
"837858"	263.011606	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-2H+K"	36.948606
"1560617"	263.011606	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+K-2H"	36.948606
"950326"	271.061194	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-H+HCOOH"	44.998194
"369635"	497.124201	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+HCOOH-H"	44.998201
"351331"	511.139851	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+Hac-H"	59.013851
"1500164"	285.076851	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Hac-H"	59.013851
"967703"	293.043151	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-H+NaCOOH"	66.980151
"120256"	261.032402	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+2Cl"	69.938804
"562733"	374.063902	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+2Cl"	69.938804
"1023511"	148.000902	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2Cl"	69.938804
"1244184"	304.981885	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Br"	78.918885
"1308090"	307.037872	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Cl+HCOOH"	80.974872
"1320848"	329.019829	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Cl+NaCOOH"	102.956829
"911909"	339.048586	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M-H+CF3COOH"	112.985586
"1291174"	375.025264	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Cl+CF3COOH"	148.962264
"1371528"	191.050324	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H-2H2O"	-35.012676
"1386836"	209.0603	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H-H2O"	-17.0027
"284337"	453.133276	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+H"	1.007276
"677853"	679.196276	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+H"	1.007276
"1356389"	227.070276	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H"	1.007276
"134746"	227.070276	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+2H"	2.014552
"569933"	340.101776	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+2H"	2.014552
"1040920"	114.038776	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2H"	2.014552
"209911"	151.715942666667	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+3H"	3.021828
"647287"	227.070276	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+3H"	3.021828
"1169786"	76.3616093333333	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+3H"	3.021828
"430868"	470.159823	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+NH4"	18.033823
"794052"	696.222823	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+NH4"	18.033823
"1690380"	244.096823	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+NH4"	18.033823
"336471"	235.5835495	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+H+NH4"	19.041099
"726708"	348.6150495	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+H+NH4"	19.041099
"1481985"	122.5520495	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H+NH4"	19.041099
"395197"	475.115218	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+Na"	22.989218
"759115"	701.178218	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+Na"	22.989218
"1606120"	249.052218	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Na"	22.989218
"317249"	238.061247	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+H+Na"	23.996494
"707482"	351.092747	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+H+Na"	23.996494
"1461786"	125.029747	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H+Na"	23.996494
"1055640"	83.6889233333333	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2H+Na"	25.00377
"1259505"	259.096486	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+CH3OH+H"	33.033486
"377834"	491.089158	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+K"	38.963158
"741261"	717.152158	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+K"	38.963158
"1540523"	265.026158	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+K"	38.963158
"299402"	246.048217	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+H+K"	39.970434
"694750"	359.079717	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+H+K"	39.970434
"1452217"	133.016717	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H+K"	39.970434
"246289"	494.159826	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+ACN+H"	42.033826
"1213894"	268.096826	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+ACN+H"	42.033826
"1205072"	134.552051	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+ACN+2H"	43.041102
"197942"	497.09716	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+2Na-H"	44.97116
"633492"	723.16016	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+2Na-H"	44.97116
"1135539"	271.03416	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2Na-H"	44.97116
"186853"	249.052218	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+2Na"	45.978436
"624953"	362.083718	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+2Na"	45.978436
"1119348"	136.020718	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2Na"	45.978436
"1404332"	91.0162373333333	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H+2Na"	46.985712
"1434623"	273.075746	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H+HCOOH"	47.012746
"221034"	254.08524	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+3H2O+2H"	56.04448
"1512381"	287.12779	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+IsoProp+H"	61.06479
"413526"	257.039188	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+Na+K"	61.952376
"774520"	370.070688	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+Na+K"	61.952376
"1665747"	144.007688	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Na+K"	61.952376
"253360"	516.141768	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+ACN+Na"	64.015768
"1226189"	290.078768	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+ACN+Na"	64.015768
"1713739"	290.102293	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+NH4+HCOOH"	64.039293
"1183600"	98.3435513333333	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+3Na"	68.967654
"1656775"	295.057688	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Na+HCOOH"	68.994688
"163635"	529.04504	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+2K-H"	76.91904
"608667"	755.10804	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+2K-H"	76.91904
"1093178"	302.98204	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2K-H"	76.91904
"149995"	265.026158	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"2M+2K"	77.926316
"594295"	378.057658	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"3M+2K"	77.926316
"1079535"	151.994658	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2K"	77.926316
"1109463"	304.996592	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2K+H"	78.933592
"1342568"	305.084207	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+DMSO+H"	79.021207
"1017659"	309.123376	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2ACN+H"	83.060376
"1534692"	310.117008	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+IsoProp+Na+H"	84.054008
"993485"	155.065326	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+2ACN+2H"	84.067652
"1595644"	311.031628	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+K+HCOOH"	84.968628
"1420211"	341.063138	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+H+CF3COOH"	115.000138
"1147343"	175.578601	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+3ACN+2H"	125.094202
"1707709"	358.089685	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+NH4+CF3COOH"	132.026685
"1641172"	363.04508	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+Na+CF3COOH"	136.98208
"1582292"	379.01902	"C06831"	"Dithranol;Anthralin"	"C14H10O3"	"226.063"	"M+K+CF3COOH"	152.95602
"814851"	458.2482	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M"	0
"987288"	439.22981	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-H2O-H"	-19.01839
"76624"	304.491524	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M-3H"	-3.021828
"517646"	457.240924	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M-3H"	-3.021828
"895083"	151.742124	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-3H"	-3.021828
"13538"	457.240924	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M-2H"	-2.014552
"452855"	686.365024	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M-2H"	-2.014552
"832727"	228.116824	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-2H"	-2.014552
"93204"	915.489124	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M-H"	-1.007276
"531668"	1373.737324	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M-H"	-1.007276
"909349"	457.240924	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-H"	-1.007276
"62024"	932.515671	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M-2H+NH4"	16.019271
"496844"	1390.763871	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M-2H+NH4"	16.019271
"879738"	474.267471	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-2H+NH4"	16.019271
"46560"	937.471066	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M-2H+Na"	20.974666
"477727"	1395.719266	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M-2H+Na"	20.974666
"863552"	479.222866	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-2H+Na"	20.974666
"1634091"	479.222866	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Na-2H"	20.974666
"109916"	475.229263	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M-H+Cl"	33.962126
"544435"	704.353363	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M-H+Cl"	33.962126
"939044"	246.105163	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-H+Cl"	33.962126
"279787"	951.465802	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+Cl"	34.969402
"670023"	1409.714002	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+Cl"	34.969402
"1278055"	493.217602	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Cl"	34.969402
"18785"	953.445006	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M-2H+K"	36.948606
"462355"	1411.693206	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M-2H+K"	36.948606
"847934"	495.196806	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-2H+K"	36.948606
"1560366"	495.196806	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+K-2H"	36.948606
"948248"	503.246394	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-H+HCOOH"	44.998194
"369745"	961.494601	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+HCOOH-H"	44.998201
"356908"	975.510251	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+Hac-H"	59.013851
"1502462"	517.262051	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Hac-H"	59.013851
"968908"	525.228351	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-H+NaCOOH"	66.980151
"114536"	493.217602	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+2Cl"	69.938804
"561385"	722.341702	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+2Cl"	69.938804
"1024351"	264.093502	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2Cl"	69.938804
"1244659"	537.167085	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Br"	78.918885
"1308566"	539.223072	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Cl+HCOOH"	80.974872
"1320715"	561.205029	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Cl+NaCOOH"	102.956829
"912505"	571.233786	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M-H+CF3COOH"	112.985586
"1290555"	607.210464	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Cl+CF3COOH"	148.962264
"1371638"	423.235524	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H-2H2O"	-35.012676
"1386946"	441.2455	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H-H2O"	-17.0027
"287727"	917.503676	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+H"	1.007276
"676869"	1375.751876	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+H"	1.007276
"1356499"	459.255476	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H"	1.007276
"134856"	459.255476	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+2H"	2.014552
"579520"	688.379576	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+2H"	2.014552
"1046497"	230.131376	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2H"	2.014552
"210021"	306.506076	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+3H"	3.021828
"650676"	459.255476	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+3H"	3.021828
"1172083"	153.756676	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+3H"	3.021828
"432074"	934.530223	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+NH4"	18.033823
"794163"	1392.778423	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+NH4"	18.033823
"1690493"	476.282023	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+NH4"	18.033823
"339861"	467.7687495	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+H+NH4"	19.041099
"730100"	696.8928495	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+H+NH4"	19.041099
"1482827"	238.6446495	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H+NH4"	19.041099
"397496"	939.485618	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+Na"	22.989218
"758132"	1397.733818	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+Na"	22.989218
"1605499"	481.237418	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Na"	22.989218
"316265"	470.246447	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+H+Na"	23.996494
"709780"	699.370547	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+H+Na"	23.996494
"1464692"	241.122347	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H+Na"	23.996494
"1056843"	161.08399	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2H+Na"	25.00377
"1258524"	491.281686	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+CH3OH+H"	33.033486
"378554"	955.459558	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+K"	38.963158
"740277"	1413.707758	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+K"	38.963158
"1540509"	497.211358	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+K"	38.963158
"298619"	478.233417	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+H+K"	39.970434
"694860"	707.357517	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+H+K"	39.970434
"1452327"	249.109317	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H+K"	39.970434
"245306"	958.530226	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+ACN+H"	42.033826
"1213640"	500.282026	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+ACN+H"	42.033826
"1197526"	250.644651	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+ACN+2H"	43.041102
"193678"	961.46756	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+2Na-H"	44.97116
"632145"	1419.71576	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+2Na-H"	44.97116
"1133462"	503.21936	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2Na-H"	44.97116
"180035"	481.237418	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+2Na"	45.978436
"616677"	710.361518	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+2Na"	45.978436
"1122010"	252.113318	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2Na"	45.978436
"1402251"	168.411304	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H+2Na"	46.985712
"1432547"	505.260946	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H+HCOOH"	47.012746
"224065"	486.27044	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+3H2O+2H"	56.04448
"1514315"	519.31299	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+IsoProp+H"	61.06479
"412908"	489.224388	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+Na+K"	61.952376
"773537"	718.348488	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+Na+K"	61.952376
"1667316"	260.100288	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Na+K"	61.952376
"252373"	980.512168	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+ACN+Na"	64.015768
"1226541"	522.263968	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+ACN+Na"	64.015768
"1712996"	522.287493	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+NH4+HCOOH"	64.039293
"1179246"	175.738618	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+3Na"	68.967654
"1650918"	527.242888	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Na+HCOOH"	68.994688
"158027"	993.41544	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+2K-H"	76.91904
"603305"	1451.66364	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+2K-H"	76.91904
"1091098"	535.16724	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2K-H"	76.91904
"150101"	497.211358	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"2M+2K"	77.926316
"592945"	726.335458	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"3M+2K"	77.926316
"1075269"	268.087258	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2K"	77.926316
"1109572"	537.181792	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2K+H"	78.933592
"1345959"	537.269407	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+DMSO+H"	79.021207
"1012301"	541.308576	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2ACN+H"	83.060376
"1534802"	542.302208	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+IsoProp+Na+H"	84.054008
"999064"	271.157926	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+2ACN+2H"	84.067652
"1601830"	543.216828	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+K+HCOOH"	84.968628
"1426881"	573.248338	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+H+CF3COOH"	115.000138
"1156080"	291.671201	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+3ACN+2H"	125.094202
"1708912"	590.274885	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+NH4+CF3COOH"	132.026685
"1641282"	595.23028	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+Na+CF3COOH"	136.98208
"1582402"	611.20422	"C06832"	"Astemizole"	"C28H31FN4O"	"458.2482"	"M+K+CF3COOH"	152.95602
"815930"	558.253	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M"	0
"979744"	539.23461	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-H2O-H"	-19.01839
"70174"	371.161390666667	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M-3H"	-3.021828
"515203"	557.245724	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M-3H"	-3.021828
"888629"	185.077057333333	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-3H"	-3.021828
"14863"	557.245724	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M-2H"	-2.014552
"452236"	836.372224	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M-2H"	-2.014552
"825665"	278.119224	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-2H"	-2.014552
"83469"	1115.498724	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M-H"	-1.007276
"524121"	1673.751724	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M-H"	-1.007276
"905204"	557.245724	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-H"	-1.007276
"57392"	1132.525271	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M-2H+NH4"	16.019271
"495859"	1690.778271	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M-2H+NH4"	16.019271
"874754"	574.272271	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-2H+NH4"	16.019271
"44839"	1137.480666	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M-2H+Na"	20.974666
"480027"	1695.733666	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M-2H+Na"	20.974666
"862202"	579.227666	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-2H+Na"	20.974666
"1630642"	579.227666	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Na-2H"	20.974666
"102796"	575.234063	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M-H+Cl"	33.962126
"541265"	854.360563	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M-H+Cl"	33.962126
"935873"	296.107563	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-H+Cl"	33.962126
"270421"	1151.475402	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+Cl"	34.969402
"666853"	1709.728402	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+Cl"	34.969402
"1277070"	593.222402	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Cl"	34.969402
"17074"	1153.454606	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M-2H+K"	36.948606
"458456"	1711.707606	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M-2H+K"	36.948606
"839173"	595.201606	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-2H+K"	36.948606
"1559383"	595.201606	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+K-2H"	36.948606
"950546"	603.251194	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-H+HCOOH"	44.998194
"372043"	1161.504201	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+HCOOH-H"	44.998201
"358113"	1175.519851	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+Hac-H"	59.013851
"1500386"	617.266851	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Hac-H"	59.013851
"970112"	625.233151	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-H+NaCOOH"	66.980151
"121207"	593.222402	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+2Cl"	69.938804
"558579"	872.348902	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+2Cl"	69.938804
"1022272"	314.095902	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2Cl"	69.938804
"1244771"	637.171885	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Br"	78.918885
"1307582"	639.227872	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Cl+HCOOH"	80.974872
"1321067"	661.209829	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Cl+NaCOOH"	102.956829
"913223"	671.238586	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M-H+CF3COOH"	112.985586
"1289570"	707.215264	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Cl+CF3COOH"	148.962264
"1368464"	523.240324	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H-2H2O"	-35.012676
"1383531"	541.2503	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H-H2O"	-17.0027
"288931"	1117.513276	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+H"	1.007276
"679167"	1675.766276	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+H"	1.007276
"1356611"	559.260276	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H"	1.007276
"137156"	559.260276	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+2H"	2.014552
"576714"	838.386776	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+2H"	2.014552
"1045512"	280.133776	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2H"	2.014552
"214507"	373.175942666667	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+3H"	3.021828
"650787"	559.260276	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+3H"	3.021828
"1170006"	187.091609333333	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+3H"	3.021828
"432182"	1134.539823	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+NH4"	18.033823
"795367"	1692.792823	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+NH4"	18.033823
"1689510"	576.286823	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+NH4"	18.033823
"341065"	567.7735495	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+H+NH4"	19.041099
"729117"	846.9000495	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+H+NH4"	19.041099
"1482207"	288.6470495	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H+NH4"	19.041099
"396152"	1139.495218	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+Na"	22.989218
"756781"	1697.748218	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+Na"	22.989218
"1605248"	581.242218	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Na"	22.989218
"316739"	570.251247	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+H+Na"	23.996494
"710254"	849.377747	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+H+Na"	23.996494
"1464073"	291.124747	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H+Na"	23.996494
"1055859"	194.418923333333	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2H+Na"	25.00377
"1259000"	591.286486	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+CH3OH+H"	33.033486
"377570"	1155.469158	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+K"	38.963158
"741480"	1713.722158	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+K"	38.963158
"1541713"	597.216158	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+K"	38.963158
"298895"	578.238217	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+H+K"	39.970434
"695699"	857.364717	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+H+K"	39.970434
"1450250"	299.111717	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H+K"	39.970434
"237392"	1158.539826	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+ACN+H"	42.033826
"1214115"	600.286826	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+ACN+H"	42.033826
"1196903"	300.647051	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+ACN+2H"	43.041102
"195976"	1161.47716	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+2Na-H"	44.97116
"635537"	1719.73016	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+2Na-H"	44.97116
"1139043"	603.22416	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2Na-H"	44.97116
"178686"	581.242218	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+2Na"	45.978436
"621528"	860.368718	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+2Na"	45.978436
"1124307"	302.115718	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2Na"	45.978436
"1405645"	201.746237333333	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H+2Na"	46.985712
"1434846"	605.265746	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H+HCOOH"	47.012746
"223811"	586.27524	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+3H2O+2H"	56.04448
"1512238"	619.31779	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+IsoProp+H"	61.06479
"410831"	589.229188	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+Na+K"	61.952376
"772920"	868.355688	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+Na+K"	61.952376
"1667426"	310.102688	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Na+K"	61.952376
"253582"	1180.521768	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+ACN+Na"	64.015768
"1229938"	622.268768	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+ACN+Na"	64.015768
"1715909"	622.292293	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+NH4+HCOOH"	64.039293
"1179431"	209.073551333333	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+3Na"	68.967654
"1652615"	627.247688	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Na+HCOOH"	68.994688
"163855"	1193.42504	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+2K-H"	76.91904
"608884"	1751.67804	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+2K-H"	76.91904
"1095586"	635.17204	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2K-H"	76.91904
"153495"	597.216158	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"2M+2K"	77.926316
"595610"	876.342658	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"3M+2K"	77.926316
"1075380"	318.089658	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2K"	77.926316
"1109684"	637.186592	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2K+H"	78.933592
"1343883"	637.274207	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+DMSO+H"	79.021207
"1016785"	641.313376	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2ACN+H"	83.060376
"1529444"	642.307008	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+IsoProp+Na+H"	84.054008
"998080"	321.160326	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+2ACN+2H"	84.067652
"1602183"	643.221628	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+K+HCOOH"	84.968628
"1428086"	673.253138	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+H+CF3COOH"	115.000138
"1152909"	341.673601	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+3ACN+2H"	125.094202
"1704649"	690.279685	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+NH4+CF3COOH"	132.026685
"1641392"	695.23508	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+Na+CF3COOH"	136.98208
"1582512"	711.20902	"C06834"	"Atorvastatin"	"C33H35FN2O5"	"558.253"	"M+K+CF3COOH"	152.95602
"813974"	366.1023	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M"	0
"985326"	347.08391	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-H2O-H"	-19.01839
"74659"	243.060924	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M-3H"	-3.021828
"514220"	365.095024	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M-3H"	-3.021828
"888739"	121.026824	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-3H"	-3.021828
"13879"	365.095024	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M-2H"	-2.014552
"453439"	548.146174	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M-2H"	-2.014552
"825775"	182.043874	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-2H"	-2.014552
"85766"	731.197324	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M-H"	-1.007276
"523138"	1097.299624	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M-H"	-1.007276
"902034"	365.095024	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-H"	-1.007276
"56408"	748.223871	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M-2H+NH4"	16.019271
"498154"	1114.326171	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M-2H+NH4"	16.019271
"873770"	382.121571	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-2H+NH4"	16.019271
"43856"	753.179266	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M-2H+Na"	20.974666
"482324"	1119.281566	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M-2H+Na"	20.974666
"860125"	387.076966	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-2H+Na"	20.974666
"1628565"	387.076966	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Na-2H"	20.974666
"102906"	383.083363	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M-H+Cl"	33.962126
"535907"	566.134513	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M-H+Cl"	33.962126
"932702"	200.032213	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-H+Cl"	33.962126
"269437"	767.174002	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+Cl"	34.969402
"666963"	1133.276302	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+Cl"	34.969402
"1277180"	401.071702	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Cl"	34.969402
"20830"	769.153206	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M-2H+K"	36.948606
"457471"	1135.255506	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M-2H+K"	36.948606
"839283"	403.050906	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-2H+K"	36.948606
"1557306"	403.050906	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+K-2H"	36.948606
"947376"	411.100494	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-H+HCOOH"	44.998194
"369966"	777.202801	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+HCOOH-H"	44.998201
"356035"	791.218451	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+Hac-H"	59.013851
"1496122"	425.116151	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Hac-H"	59.013851
"969129"	433.082451	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-H+NaCOOH"	66.980151
"119132"	401.071702	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+2Cl"	69.938804
"556502"	584.122852	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+2Cl"	69.938804
"1023475"	218.020552	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2Cl"	69.938804
"1245609"	445.021185	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Br"	78.918885
"1308422"	447.077172	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Cl+HCOOH"	80.974872
"1322635"	469.059129	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Cl+NaCOOH"	102.956829
"912239"	479.087886	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M-H+CF3COOH"	112.985586
"1289193"	515.064564	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Cl+CF3COOH"	148.962264
"1367477"	331.089624	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H-2H2O"	-35.012676
"1383879"	349.0996	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H-H2O"	-17.0027
"282997"	733.211876	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+H"	1.007276
"676277"	1099.314176	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+H"	1.007276
"1351421"	367.109576	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H"	1.007276
"128513"	367.109576	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+2H"	2.014552
"575729"	550.160726	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+2H"	2.014552
"1045622"	184.058426	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2H"	2.014552
"210245"	245.075476	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+3H"	3.021828
"651990"	367.109576	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+3H"	3.021828
"1169023"	123.041376	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+3H"	3.021828
"433389"	750.238423	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+NH4"	18.033823
"791103"	1116.340723	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+NH4"	18.033823
"1689619"	384.136123	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+NH4"	18.033823
"340082"	375.6228495	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+H+NH4"	19.041099
"729225"	558.6739995	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+H+NH4"	19.041099
"1481224"	192.5716995	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H+NH4"	19.041099
"394074"	755.193818	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+Na"	22.989218
"756161"	1121.296118	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+Na"	22.989218
"1603006"	389.091518	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Na"	22.989218
"315269"	378.100547	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+H+Na"	23.996494
"707690"	561.151697	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+H+Na"	23.996494
"1462727"	195.049397	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H+Na"	23.996494
"1053096"	130.36869	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2H+Na"	25.00377
"1257203"	399.135786	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+CH3OH+H"	33.033486
"377272"	771.167758	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+K"	38.963158
"739161"	1137.270058	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+K"	38.963158
"1540728"	405.065458	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+K"	38.963158
"298713"	386.087517	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+H+K"	39.970434
"695445"	569.138667	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+H+K"	39.970434
"1450360"	203.036367	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H+K"	39.970434
"237138"	774.238426	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+ACN+H"	42.033826
"1212038"	408.136126	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+ACN+H"	42.033826
"1196648"	204.571701	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+ACN+2H"	43.041102
"194992"	777.17576	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+2Na-H"	44.97116
"632729"	1143.27806	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+2Na-H"	44.97116
"1136966"	411.07346	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2Na-H"	44.97116
"177338"	389.091518	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+2Na"	45.978436
"622003"	572.142668	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+2Na"	45.978436
"1124417"	206.040368	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2Na"	45.978436
"1402472"	137.696004	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H+2Na"	46.985712
"1433861"	413.115046	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H+HCOOH"	47.012746
"223922"	394.12454	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+3H2O+2H"	56.04448
"1512348"	427.16709	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+IsoProp+H"	61.06479
"411670"	397.078488	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+Na+K"	61.952376
"773030"	580.129638	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+Na+K"	61.952376
"1670090"	214.027338	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Na+K"	61.952376
"252599"	796.220368	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+ACN+Na"	64.015768
"1225720"	430.118068	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+ACN+Na"	64.015768
"1714926"	430.141593	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+NH4+HCOOH"	64.039293
"1178812"	145.023318	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+3Na"	68.967654
"1654915"	435.096988	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Na+HCOOH"	68.994688
"163965"	809.12364	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+2K-H"	76.91904
"607901"	1175.22594	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+2K-H"	76.91904
"1096788"	443.02134	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2K-H"	76.91904
"153605"	405.065458	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"2M+2K"	77.926316
"596450"	588.116608	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"3M+2K"	77.926316
"1076583"	222.014308	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2K"	77.926316
"1114170"	445.035892	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2K+H"	78.933592
"1347273"	445.123507	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+DMSO+H"	79.021207
"1016895"	449.162676	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2ACN+H"	83.060376
"1528461"	450.156308	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+IsoProp+Na+H"	84.054008
"998190"	225.084976	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+2ACN+2H"	84.067652
"1602050"	451.070928	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+K+HCOOH"	84.968628
"1427103"	481.102438	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+H+CF3COOH"	115.000138
"1153019"	245.598251	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+3ACN+2H"	125.094202
"1709133"	498.128985	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+NH4+CF3COOH"	132.026685
"1641502"	503.08438	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+Na+CF3COOH"	136.98208
"1582622"	519.05832	"C06835"	"Atovaquone;Acuvel;Wellvone;Mepron"	"C22H19ClO3"	"366.1023"	"M+K+CF3COOH"	152.95602
"815547"	277.0382	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M"	0
"986528"	258.01981	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-H2O-H"	-19.01839
"73676"	183.684857333333	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M-3H"	-3.021828
"515792"	276.030924	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M-3H"	-3.021828
"892135"	91.3387906666667	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-3H"	-3.021828
"10709"	276.030924	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M-2H"	-2.014552
"450270"	414.550024	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M-2H"	-2.014552
"829165"	137.511824	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-2H"	-2.014552
"86971"	553.069124	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M-H"	-1.007276
"525436"	830.107324	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M-H"	-1.007276
"902145"	276.030924	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-H"	-1.007276
"55426"	570.095671	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M-2H+NH4"	16.019271
"497172"	847.133871	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M-2H+NH4"	16.019271
"873880"	293.057471	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-2H+NH4"	16.019271
"36314"	575.051066	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M-2H+Na"	20.974666
"480246"	852.089266	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M-2H+Na"	20.974666
"854768"	298.012866	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-2H+Na"	20.974666
"1625395"	298.012866	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Na-2H"	20.974666
"101925"	294.019263	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M-H+Cl"	33.962126
"539298"	432.538363	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M-H+Cl"	33.962126
"932812"	155.500163	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-H+Cl"	33.962126
"269912"	589.045802	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+Cl"	34.969402
"665979"	866.084002	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+Cl"	34.969402
"1278383"	312.007602	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Cl"	34.969402
"17415"	591.025006	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M-2H+K"	36.948606
"456733"	868.063206	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M-2H+K"	36.948606
"834655"	313.986806	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-2H+K"	36.948606
"1556561"	313.986806	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+K-2H"	36.948606
"947486"	322.036394	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-H+HCOOH"	44.998194
"370076"	599.074601	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+HCOOH-H"	44.998201
"357241"	613.090251	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+Hac-H"	59.013851
"1506072"	336.052051	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Hac-H"	59.013851
"965960"	344.018351	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-H+NaCOOH"	66.980151
"121428"	312.007602	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+2Cl"	69.938804
"555519"	450.526702	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+2Cl"	69.938804
"1023952"	173.488502	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2Cl"	69.938804
"1250458"	355.957085	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Br"	78.918885
"1310719"	358.013072	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Cl+HCOOH"	80.974872
"1322017"	379.995029	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Cl+NaCOOH"	102.956829
"912223"	390.023786	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M-H+CF3COOH"	112.985586
"1290276"	426.000464	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Cl+CF3COOH"	148.962264
"1368323"	242.025524	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H-2H2O"	-35.012676
"1383997"	260.0355	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H-H2O"	-17.0027
"288058"	555.083676	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+H"	1.007276
"678293"	832.121876	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+H"	1.007276
"1352813"	278.045476	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H"	1.007276
"127894"	278.045476	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+2H"	2.014552
"572558"	416.564576	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+2H"	2.014552
"1047919"	139.526376	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2H"	2.014552
"209259"	185.699409333333	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+3H"	3.021828
"653196"	278.045476	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+3H"	3.021828
"1172414"	93.3533426666667	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+3H"	3.021828
"434592"	572.110223	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+NH4"	18.033823
"790119"	849.148423	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+NH4"	18.033823
"1686453"	295.072023	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+NH4"	18.033823
"336915"	286.5587495	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+H+NH4"	19.041099
"729338"	425.0778495	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+H+NH4"	19.041099
"1479883"	148.0396495	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H+NH4"	19.041099
"394549"	577.065618	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+Na"	22.989218
"754451"	854.103818	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+Na"	22.989218
"1602999"	300.027418	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Na"	22.989218
"315507"	289.036447	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+H+Na"	23.996494
"708289"	427.555547	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+H+Na"	23.996494
"1462349"	150.517347	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H+Na"	23.996494
"1054630"	100.680656666667	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2H+Na"	25.00377
"1257516"	310.071686	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+CH3OH+H"	33.033486
"380720"	593.039558	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+K"	38.963158
"739446"	870.077758	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+K"	38.963158
"1549240"	316.001358	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+K"	38.963158
"307510"	297.023417	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+H+K"	39.970434
"694826"	435.542517	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+H+K"	39.970434
"1455943"	158.504317	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H+K"	39.970434
"242358"	596.110226	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+ACN+H"	42.033826
"1216525"	319.072026	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+ACN+H"	42.033826
"1208064"	160.039651	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+ACN+2H"	43.041102
"196197"	599.04756	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+2Na-H"	44.97116
"636850"	876.08576	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+2Na-H"	44.97116
"1137805"	322.00936	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2Na-H"	44.97116
"178907"	300.027418	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+2Na"	45.978436
"618467"	438.546518	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+2Na"	45.978436
"1124527"	161.508318	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2Na"	45.978436
"1405865"	108.007970666667	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H+2Na"	46.985712
"1436889"	324.050946	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H+HCOOH"	47.012746
"222206"	305.06044	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+3H2O+2H"	56.04448
"1509173"	338.10299	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+IsoProp+H"	61.06479
"409590"	308.014388	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+Na+K"	61.952376
"770221"	446.533488	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+Na+K"	61.952376
"1666065"	169.495288	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Na+K"	61.952376
"251610"	618.092168	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+ACN+Na"	64.015768
"1226514"	341.053968	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+ACN+Na"	64.015768
"1715404"	341.077493	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+NH4+HCOOH"	64.039293
"1185133"	115.335284666667	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+3Na"	68.967654
"1658307"	346.032888	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Na+HCOOH"	68.994688
"164078"	630.99544	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+2K-H"	76.91904
"612592"	908.03364	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+2K-H"	76.91904
"1094712"	353.95724	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2K-H"	76.91904
"154809"	316.001358	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"2M+2K"	77.926316
"596804"	454.520458	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"3M+2K"	77.926316
"1081921"	177.482258	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2K"	77.926316
"1110999"	355.971792	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2K+H"	78.933592
"1345197"	356.059407	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+DMSO+H"	79.021207
"1020289"	360.098576	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2ACN+H"	83.060376
"1539266"	361.092208	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+IsoProp+Na+H"	84.054008
"1001583"	180.552926	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+2ACN+2H"	84.067652
"1593900"	362.006828	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+K+HCOOH"	84.968628
"1429037"	392.038338	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+H+CF3COOH"	115.000138
"1156411"	201.066201	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+3ACN+2H"	125.094202
"1704871"	409.064885	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+NH4+CF3COOH"	132.026685
"1648174"	414.02028	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+Na+CF3COOH"	136.98208
"1582732"	429.99422	"C06837"	"Azathioprine"	"C9H7N7O2S"	"277.0382"	"M+K+CF3COOH"	152.95602
"814196"	748.5085	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M"	0
"987003"	729.49011	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-H2O-H"	-19.01839
"74518"	497.998390666667	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M-3H"	-3.021828
"514442"	747.501224	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M-3H"	-3.021828
"892245"	248.495557333333	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-3H"	-3.021828
"10819"	747.501224	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M-2H"	-2.014552
"449286"	1121.755474	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M-2H"	-2.014552
"825995"	373.246974	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-2H"	-2.014552
"83799"	1496.009724	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M-H"	-1.007276
"522265"	2244.518224	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M-H"	-1.007276
"898244"	747.501224	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-H"	-1.007276
"54441"	1513.036271	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M-2H+NH4"	16.019271
"491085"	2261.544771	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M-2H+NH4"	16.019271
"870708"	764.527771	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-2H+NH4"	16.019271
"36422"	1517.991666	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M-2H+Na"	20.974666
"477076"	2266.500166	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M-2H+Na"	20.974666
"850623"	769.483166	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-2H+Na"	20.974666
"1626599"	769.483166	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Na-2H"	20.974666
"102034"	765.489563	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M-H+Cl"	33.962126
"536856"	1139.743813	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M-H+Cl"	33.962126
"929642"	391.235313	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-H+Cl"	33.962126
"268929"	1531.986402	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+Cl"	34.969402
"663535"	2280.494902	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+Cl"	34.969402
"1276305"	783.477902	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Cl"	34.969402
"17161"	1533.965606	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M-2H+K"	36.948606
"456517"	2282.474106	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M-2H+K"	36.948606
"836224"	785.457106	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-2H+K"	36.948606
"1556472"	785.457106	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+K-2H"	36.948606
"947596"	793.506694	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-H+HCOOH"	44.998194
"371280"	1542.015201	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+HCOOH-H"	44.998201
"357350"	1556.030851	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+Hac-H"	59.013851
"1506912"	807.522351	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Hac-H"	59.013851
"964977"	815.488651	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-H+NaCOOH"	66.980151
"122631"	783.477902	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+2Cl"	69.938804
"561097"	1157.732152	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+2Cl"	69.938804
"1028803"	409.223652	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2Cl"	69.938804
"1250568"	827.427385	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Br"	78.918885
"1306454"	829.483372	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Cl+HCOOH"	80.974872
"1321399"	851.465329	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Cl+NaCOOH"	102.956829
"911770"	861.494086	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M-H+CF3COOH"	112.985586
"1295004"	897.470764	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Cl+CF3COOH"	148.962264
"1368918"	713.495824	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H-2H2O"	-35.012676
"1384107"	731.5058	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H-H2O"	-17.0027
"288168"	1498.024276	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+H"	1.007276
"678403"	2246.532776	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+H"	1.007276
"1354018"	749.515776	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H"	1.007276
"128004"	749.515776	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+2H"	2.014552
"572668"	1123.770026	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+2H"	2.014552
"1046936"	375.261526	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2H"	2.014552
"211556"	500.012942666667	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+3H"	3.021828
"652207"	749.515776	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+3H"	3.021828
"1171430"	250.510109333333	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+3H"	3.021828
"434702"	1515.050823	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+NH4"	18.033823
"790230"	2263.559323	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+NH4"	18.033823
"1686562"	766.542323	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+NH4"	18.033823
"337025"	758.0290495	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+H+NH4"	19.041099
"729450"	1132.2832995	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+H+NH4"	19.041099
"1482179"	383.7747995	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H+NH4"	19.041099
"398671"	1520.006218	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+Na"	22.989218
"755537"	2268.514718	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+Na"	22.989218
"1603146"	771.497718	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Na"	22.989218
"314563"	760.506747	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+H+Na"	23.996494
"709130"	1134.760997	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+H+Na"	23.996494
"1462586"	386.252497	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H+Na"	23.996494
"1055225"	257.837423333333	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2H+Na"	25.00377
"1258601"	781.541986	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+CH3OH+H"	33.033486
"379737"	1535.980158	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+K"	38.963158
"739637"	2284.488658	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+K"	38.963158
"1548257"	787.471658	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+K"	38.963158
"308713"	768.493717	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+H+K"	39.970434
"694936"	1142.747967	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+H+K"	39.970434
"1453137"	394.239467	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H+K"	39.970434
"242468"	1539.050826	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+ACN+H"	42.033826
"1215541"	790.542326	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+ACN+H"	42.033826
"1205622"	395.774801	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+ACN+2H"	43.041102
"190473"	1541.98816	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+2Na-H"	44.97116
"630398"	2290.49666	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+2Na-H"	44.97116
"1137915"	793.47966	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2Na-H"	44.97116
"177924"	771.497718	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+2Na"	45.978436
"616390"	1145.751968	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+2Na"	45.978436
"1118071"	397.243468	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2Na"	45.978436
"1404882"	265.164737333333	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H+2Na"	46.985712
"1436999"	795.521246	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H+HCOOH"	47.012746
"222680"	776.53074	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+3H2O+2H"	56.04448
"1510740"	809.57329	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+IsoProp+H"	61.06479
"410427"	779.484688	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+Na+K"	61.952376
"770128"	1153.738938	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+Na+K"	61.952376
"1666294"	405.230438	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Na+K"	61.952376
"251599"	1561.032768	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+ACN+Na"	64.015768
"1226624"	812.524268	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+ACN+Na"	64.015768
"1715875"	812.547793	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+NH4+HCOOH"	64.039293
"1185243"	272.492051333333	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+3Na"	68.967654
"1658417"	817.503188	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Na+HCOOH"	68.994688
"164188"	1573.93604	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+2K-H"	76.91904
"611039"	2322.44454	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+2K-H"	76.91904
"1094822"	825.42754	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2K-H"	76.91904
"154919"	787.471658	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"2M+2K"	77.926316
"596183"	1161.725908	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"3M+2K"	77.926316
"1076803"	413.217408	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2K"	77.926316
"1106736"	827.442092	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2K+H"	78.933592
"1344214"	827.529707	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+DMSO+H"	79.021207
"1019548"	831.568876	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2ACN+H"	83.060376
"1534151"	832.562508	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+IsoProp+Na+H"	84.054008
"1001693"	416.288076	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+2ACN+2H"	84.067652
"1594010"	833.477128	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+K+HCOOH"	84.968628
"1424043"	863.508638	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+H+CF3COOH"	115.000138
"1155428"	436.801351	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+3ACN+2H"	125.094202
"1703888"	880.535185	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+NH4+CF3COOH"	132.026685
"1648284"	885.49058	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+Na+CF3COOH"	136.98208
"1582842"	901.46452	"C06838"	"Azithromycin"	"C38H72N2O12"	"748.5085"	"M+K+CF3COOH"	152.95602
"816492"	461.1369	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M"	0
"986750"	442.11851	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-H2O-H"	-19.01839
"77060"	306.417324	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M-3H"	-3.021828
"516013"	460.129624	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M-3H"	-3.021828
"891993"	152.705024	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-3H"	-3.021828
"11660"	460.129624	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M-2H"	-2.014552
"450489"	690.698074	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M-2H"	-2.014552
"829385"	229.561174	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-2H"	-2.014552
"88284"	921.266524	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M-H"	-1.007276
"523469"	1382.403424	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M-H"	-1.007276
"901998"	460.129624	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-H"	-1.007276
"53458"	938.293071	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M-2H+NH4"	16.019271
"494475"	1399.429971	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M-2H+NH4"	16.019271
"870453"	477.156171	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-2H+NH4"	16.019271
"37990"	943.248466	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M-2H+Na"	20.974666
"474633"	1404.385366	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M-2H+Na"	20.974666
"850613"	482.111566	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-2H+Na"	20.974666
"1625614"	482.111566	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Na-2H"	20.974666
"102144"	478.117963	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M-H+Cl"	33.962126
"535871"	708.686413	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M-H+Cl"	33.962126
"930116"	247.549513	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-H+Cl"	33.962126
"271591"	957.243202	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+Cl"	34.969402
"665105"	1418.380102	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+Cl"	34.969402
"1276779"	496.106302	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Cl"	34.969402
"17881"	959.222406	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M-2H+K"	36.948606
"458894"	1420.359306	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M-2H+K"	36.948606
"834875"	498.085506	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-2H+K"	36.948606
"1557999"	498.085506	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+K-2H"	36.948606
"944426"	506.135094	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-H+HCOOH"	44.998194
"371390"	967.272001	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+HCOOH-H"	44.998201
"353087"	981.287651	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+Hac-H"	59.013851
"1501918"	520.150751	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Hac-H"	59.013851
"968367"	528.117051	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-H+NaCOOH"	66.980151
"122741"	496.106302	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+2Cl"	69.938804
"559021"	726.674752	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+2Cl"	69.938804
"1028914"	265.537852	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2Cl"	69.938804
"1250679"	540.055785	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Br"	78.918885
"1309846"	542.111772	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Cl+HCOOH"	80.974872
"1320052"	564.093729	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Cl+NaCOOH"	102.956829
"911454"	574.122486	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M-H+CF3COOH"	112.985586
"1291834"	610.099164	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Cl+CF3COOH"	148.962264
"1371095"	426.124224	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H-2H2O"	-35.012676
"1387497"	444.1342	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H-H2O"	-17.0027
"288278"	923.281076	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+H"	1.007276
"678513"	1384.417976	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+H"	1.007276
"1353765"	462.144176	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H"	1.007276
"129571"	462.144176	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+2H"	2.014552
"574965"	692.712626	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+2H"	2.014552
"1048869"	231.575726	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2H"	2.014552
"211666"	308.431876	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+3H"	3.021828
"652318"	462.144176	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+3H"	3.021828
"1173726"	154.719576	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+3H"	3.021828
"435541"	940.307623	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+NH4"	18.033823
"791433"	1401.444523	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+NH4"	18.033823
"1688857"	479.170723	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+NH4"	18.033823
"335315"	470.6574495	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+H+NH4"	19.041099
"727738"	701.2258995	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+H+NH4"	19.041099
"1481196"	240.0889995	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H+NH4"	19.041099
"399875"	945.263018	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+Na"	22.989218
"755770"	1406.399918	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+Na"	22.989218
"1603258"	484.126118	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Na"	22.989218
"315848"	473.135147	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+H+Na"	23.996494
"708268"	703.703597	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+H+Na"	23.996494
"1462211"	242.566697	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H+Na"	23.996494
"1053511"	162.04689	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2H+Na"	25.00377
"1258346"	494.170386	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+CH3OH+H"	33.033486
"379847"	961.236958	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+K"	38.963158
"739748"	1422.373858	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+K"	38.963158
"1549460"	500.100058	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+K"	38.963158
"307727"	481.122117	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+H+K"	39.970434
"696867"	711.690567	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+H+K"	39.970434
"1453977"	250.553667	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H+K"	39.970434
"242942"	964.307626	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+ACN+H"	42.033826
"1215287"	503.170726	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+ACN+H"	42.033826
"1202452"	252.089001	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+ACN+2H"	43.041102
"193863"	967.24496	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+2Na-H"	44.97116
"632328"	1428.38186	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+2Na-H"	44.97116
"1139848"	506.10806	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2Na-H"	44.97116
"181679"	484.126118	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+2Na"	45.978436
"619416"	714.694568	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+2Na"	45.978436
"1120004"	253.557668	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2Na"	45.978436
"1407179"	169.374204	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H+2Na"	46.985712
"1439661"	508.149646	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H+HCOOH"	47.012746
"224250"	489.15914	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+3H2O+2H"	56.04448
"1512679"	522.20169	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+IsoProp+H"	61.06479
"411999"	492.113088	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+Na+K"	61.952376
"772265"	722.681538	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+Na+K"	61.952376
"1668592"	261.544638	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Na+K"	61.952376
"252924"	986.289568	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+ACN+Na"	64.015768
"1228920"	525.152668	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+ACN+Na"	64.015768
"1717810"	525.176193	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+NH4+HCOOH"	64.039293
"1187176"	176.701518	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+3Na"	68.967654
"1657434"	530.131588	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Na+HCOOH"	68.994688
"166485"	999.19284	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+2K-H"	76.91904
"610785"	1460.32974	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+2K-H"	76.91904
"1094932"	538.05594	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2K-H"	76.91904
"153936"	500.100058	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"2M+2K"	77.926316
"595686"	730.668508	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"3M+2K"	77.926316
"1078735"	269.531608	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2K"	77.926316
"1113164"	540.070492	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2K+H"	78.933592
"1346511"	540.158107	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+DMSO+H"	79.021207
"1018686"	544.197276	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2ACN+H"	83.060376
"1539573"	545.190908	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+IsoProp+Na+H"	84.054008
"1003870"	272.602276	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+2ACN+2H"	84.067652
"1600682"	546.105528	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+K+HCOOH"	84.968628
"1428892"	576.137038	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+H+CF3COOH"	115.000138
"1158819"	293.115551	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+3ACN+2H"	125.094202
"1703998"	593.163585	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+NH4+CF3COOH"	132.026685
"1648394"	598.11898	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+Na+CF3COOH"	136.98208
"1582952"	614.09292	"C06839"	"Azlocillin"	"C20H23N5O6S"	"461.1369"	"M+K+CF3COOH"	152.95602
"816241"	435.0519	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M"	0
"989415"	416.03351	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-H2O-H"	-19.01839
"78020"	289.027324	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M-3H"	-3.021828
"517943"	434.044624	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M-3H"	-3.021828
"892465"	144.010024	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-3H"	-3.021828
"12135"	434.044624	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M-2H"	-2.014552
"453879"	651.570574	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M-2H"	-2.014552
"828402"	216.518674	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-2H"	-2.014552
"84020"	869.096524	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M-H"	-1.007276
"521392"	1304.148424	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M-H"	-1.007276
"902474"	434.044624	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-H"	-1.007276
"53569"	886.123071	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M-2H+NH4"	16.019271
"497502"	1321.174971	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M-2H+NH4"	16.019271
"869107"	451.071171	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-2H+NH4"	16.019271
"35550"	891.078466	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M-2H+Na"	20.974666
"476203"	1326.130366	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M-2H+Na"	20.974666
"852912"	456.026566	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-2H+Na"	20.974666
"1630099"	456.026566	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Na-2H"	20.974666
"96787"	452.032963	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M-H+Cl"	33.962126
"536347"	669.558913	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M-H+Cl"	33.962126
"929493"	234.507013	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-H+Cl"	33.962126
"273888"	905.073202	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+Cl"	34.969402
"665216"	1340.125102	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+Cl"	34.969402
"1280900"	470.021302	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Cl"	34.969402
"24553"	907.052406	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M-2H+K"	36.948606
"464112"	1342.104306	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M-2H+K"	36.948606
"843006"	472.000506	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-2H+K"	36.948606
"1566494"	472.000506	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+K-2H"	36.948606
"956566"	480.050094	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-H+HCOOH"	44.998194
"376608"	915.102001	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+HCOOH-H"	44.998201
"356477"	929.117651	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+Hac-H"	59.013851
"1502028"	494.065751	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Hac-H"	59.013851
"971757"	502.032051	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-H+NaCOOH"	66.980151
"125488"	470.021302	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+2Cl"	69.938804
"562411"	687.547252	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+2Cl"	69.938804
"1031211"	252.495352	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2Cl"	69.938804
"1252976"	513.970785	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Br"	78.918885
"1306311"	516.026772	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Cl+HCOOH"	80.974872
"1320074"	538.008729	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Cl+NaCOOH"	102.956829
"911658"	548.037486	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M-H+CF3COOH"	112.985586
"1292309"	584.014164	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Cl+CF3COOH"	148.962264
"1373394"	400.039224	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H-2H2O"	-35.012676
"1391982"	418.0492	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H-H2O"	-17.0027
"289481"	871.111076	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+H"	1.007276
"681903"	1306.162976	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+H"	1.007276
"1356062"	436.059176	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H"	1.007276
"130046"	436.059176	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+2H"	2.014552
"571795"	653.585126	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+2H"	2.014552
"1043874"	218.533226	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2H"	2.014552
"211775"	291.041876	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+3H"	3.021828
"652429"	436.059176	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+3H"	3.021828
"1170559"	146.024576	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+3H"	3.021828
"432738"	888.137623	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+NH4"	18.033823
"792638"	1323.189523	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+NH4"	18.033823
"1689331"	453.085723	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+NH4"	18.033823
"332875"	444.5724495	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+H+NH4"	19.041099
"727117"	662.0983995	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+H+NH4"	19.041099
"1480578"	227.0464995	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H+NH4"	19.041099
"397803"	893.093018	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+Na"	22.989218
"757705"	1328.144918	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+Na"	22.989218
"1602750"	458.041118	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Na"	22.989218
"314986"	447.050147	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+H+Na"	23.996494
"707648"	664.576097	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+H+Na"	23.996494
"1462562"	229.524197	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H+Na"	23.996494
"1053497"	153.35189	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2H+Na"	25.00377
"1257729"	468.085386	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+CH3OH+H"	33.033486
"378004"	909.066958	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+K"	38.963158
"739858"	1344.118858	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+K"	38.963158
"1550662"	474.015058	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+K"	38.963158
"308930"	455.037117	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+H+K"	39.970434
"699166"	672.563067	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+H+K"	39.970434
"1456273"	237.511167	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H+K"	39.970434
"242687"	912.137626	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+ACN+H"	42.033826
"1216491"	477.085726	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+ACN+H"	42.033826
"1203654"	239.046501	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+ACN+2H"	43.041102
"199804"	915.07496	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+2Na-H"	44.97116
"630979"	1350.12686	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+2Na-H"	44.97116
"1133757"	480.02306	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2Na-H"	44.97116
"175952"	458.041118	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+2Na"	45.978436
"616606"	675.567068	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+2Na"	45.978436
"1119022"	240.515168	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2Na"	45.978436
"1407289"	160.679204	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H+2Na"	46.985712
"1438311"	482.064646	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H+HCOOH"	47.012746
"228009"	463.07414	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+3H2O+2H"	56.04448
"1514976"	496.11669	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+IsoProp+H"	61.06479
"413570"	466.028088	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+Na+K"	61.952376
"771647"	683.554038	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+Na+K"	61.952376
"1674178"	248.502138	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Na+K"	61.952376
"252792"	934.119568	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+ACN+Na"	64.015768
"1227570"	499.067668	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+ACN+Na"	64.015768
"1723390"	499.091193	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+NH4+HCOOH"	64.039293
"1191297"	168.006518	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+3Na"	68.967654
"1660823"	504.046588	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Na+HCOOH"	68.994688
"166594"	947.02284	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+2K-H"	76.91904
"609073"	1382.07474	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+2K-H"	76.91904
"1092851"	511.97094	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2K-H"	76.91904
"152952"	474.015058	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"2M+2K"	77.926316
"595796"	691.541008	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"3M+2K"	77.926316
"1080305"	256.489108	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2K"	77.926316
"1114247"	513.985492	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2K+H"	78.933592
"1346621"	514.073107	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+DMSO+H"	79.021207
"1020749"	518.112276	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2ACN+H"	83.060376
"1539478"	519.105908	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+IsoProp+Na+H"	84.054008
"1005075"	259.559776	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+2ACN+2H"	84.067652
"1602694"	520.020528	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+K+HCOOH"	84.968628
"1425358"	550.052038	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+H+CF3COOH"	115.000138
"1160023"	280.073051	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+3ACN+2H"	125.094202
"1707388"	567.078585	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+NH4+CF3COOH"	132.026685
"1648504"	572.03398	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+Na+CF3COOH"	136.98208
"1583062"	588.00792	"C06840"	"Aztreonam;Monobactam"	"C13H17N5O8S2"	"435.0519"	"M+K+CF3COOH"	152.95602
"814524"	408.1704	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M"	0
"988790"	389.15201	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-H2O-H"	-19.01839
"76304"	271.106324	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M-3H"	-3.021828
"515865"	407.163124	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M-3H"	-3.021828
"887109"	135.049524	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-3H"	-3.021828
"11151"	407.163124	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M-2H"	-2.014552
"449617"	611.248324	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M-2H"	-2.014552
"828513"	203.077924	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-2H"	-2.014552
"86319"	815.333524	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M-H"	-1.007276
"526970"	1223.503924	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M-H"	-1.007276
"902585"	407.163124	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-H"	-1.007276
"53678"	832.360071	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M-2H+NH4"	16.019271
"494331"	1240.530471	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M-2H+NH4"	16.019271
"867759"	424.189671	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-2H+NH4"	16.019271
"37117"	837.315466	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M-2H+Na"	20.974666
"474488"	1245.485866	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M-2H+Na"	20.974666
"850834"	429.145066	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-2H+Na"	20.974666
"1629115"	429.145066	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Na-2H"	20.974666
"99084"	425.151463	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M-H+Cl"	33.962126
"537185"	629.236663	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M-H+Cl"	33.962126
"927375"	221.066263	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-H+Cl"	33.962126
"272905"	851.310202	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+Cl"	34.969402
"666420"	1259.480602	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+Cl"	34.969402
"1281010"	443.139802	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Cl"	34.969402
"25757"	853.289406	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M-2H+K"	36.948606
"462036"	1261.459806	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M-2H+K"	36.948606
"839837"	445.119006	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-2H+K"	36.948606
"1565511"	445.119006	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+K-2H"	36.948606
"956676"	453.168594	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-H+HCOOH"	44.998194
"369424"	861.339001	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+HCOOH-H"	44.998201
"353307"	875.354651	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+Hac-H"	59.013851
"1499951"	467.184251	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Hac-H"	59.013851
"966400"	475.150551	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-H+NaCOOH"	66.980151
"121868"	443.139802	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+2Cl"	69.938804
"559241"	647.225002	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+2Cl"	69.938804
"1026946"	239.054602	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2Cl"	69.938804
"1246525"	487.089285	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Br"	78.918885
"1312254"	489.145272	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Cl+HCOOH"	80.974872
"1320008"	511.127229	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Cl+NaCOOH"	102.956829
"911520"	521.155986	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M-H+CF3COOH"	112.985586
"1289503"	557.132664	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Cl+CF3COOH"	148.962264
"1373504"	373.157724	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H-2H2O"	-35.012676
"1388812"	391.1677	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H-H2O"	-17.0027
"286311"	817.348076	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+H"	1.007276
"685293"	1225.518476	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+H"	1.007276
"1354350"	409.177676	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H"	1.007276
"129062"	409.177676	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+2H"	2.014552
"571905"	613.262876	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+2H"	2.014552
"1041798"	205.092476	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2H"	2.014552
"211885"	273.120876	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+3H"	3.021828
"652539"	409.177676	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+3H"	3.021828
"1173945"	137.064076	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+3H"	3.021828
"436128"	834.374623	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+NH4"	18.033823
"792752"	1242.545023	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+NH4"	18.033823
"1687990"	426.204223	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+NH4"	18.033823
"339549"	417.6909495	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+H+NH4"	19.041099
"728690"	621.7761495	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+H+NH4"	19.041099
"1482511"	213.6057495	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H+NH4"	19.041099
"397912"	839.330018	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+Na"	22.989218
"758907"	1247.500418	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+Na"	22.989218
"1605911"	431.159618	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Na"	22.989218
"314974"	420.168647	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+H+Na"	23.996494
"707185"	624.253847	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+H+Na"	23.996494
"1463641"	216.083447	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H+Na"	23.996494
"1053607"	144.39139	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2H+Na"	25.00377
"1258565"	441.203886	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+CH3OH+H"	33.033486
"378236"	855.303958	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+K"	38.963158
"739604"	1263.474358	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+K"	38.963158
"1550772"	447.133558	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+K"	38.963158
"309040"	428.155617	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+H+K"	39.970434
"698183"	632.240817	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+H+K"	39.970434
"1450915"	224.070417	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H+K"	39.970434
"241703"	858.374626	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+ACN+H"	42.033826
"1215508"	450.204226	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+ACN+H"	42.033826
"1203764"	225.605751	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+ACN+2H"	43.041102
"198821"	861.31196	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+2Na-H"	44.97116
"630726"	1269.48236	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+2Na-H"	44.97116
"1133500"	453.14156	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2Na-H"	44.97116
"176058"	431.159618	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+2Na"	45.978436
"614894"	635.244818	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+2Na"	45.978436
"1117672"	227.074418	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2Na"	45.978436
"1401202"	151.718704	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H+2Na"	46.985712
"1435141"	455.183146	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H+HCOOH"	47.012746
"223745"	436.19264	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+3H2O+2H"	56.04448
"1509982"	469.23519	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+IsoProp+H"	61.06479
"413681"	439.146588	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+Na+K"	61.952376
"772485"	643.231788	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+Na+K"	61.952376
"1672102"	235.061388	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Na+K"	61.952376
"258623"	880.356568	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+ACN+Na"	64.015768
"1229508"	472.186168	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+ACN+Na"	64.015768
"1724593"	472.209693	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+NH4+HCOOH"	64.039293
"1192500"	159.046018	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+3Na"	68.967654
"1658747"	477.165088	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Na+HCOOH"	68.994688
"167796"	893.25984	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+2K-H"	76.91904
"610640"	1301.43024	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+2K-H"	76.91904
"1091868"	485.08944	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2K-H"	76.91904
"153062"	447.133558	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"2M+2K"	77.926316
"595542"	651.218758	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"3M+2K"	77.926316
"1081507"	243.048358	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2K"	77.926316
"1114600"	487.103992	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2K+H"	78.933592
"1347824"	487.191607	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+DMSO+H"	79.021207
"1020859"	491.230776	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2ACN+H"	83.060376
"1539222"	492.224408	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+IsoProp+Na+H"	84.054008
"1003119"	246.119026	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+2ACN+2H"	84.067652
"1602366"	493.139028	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+K+HCOOH"	84.968628
"1426197"	523.170538	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+H+CF3COOH"	115.000138
"1161226"	266.632301	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+3ACN+2H"	125.094202
"1704218"	540.197085	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+NH4+CF3COOH"	132.026685
"1648614"	545.15248	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+Na+CF3COOH"	136.98208
"1583172"	561.12642	"C06842"	"Beclomethasone"	"C22H29ClO5"	"408.1704"	"M+K+CF3COOH"	152.95602
"814635"	424.1998	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M"	0
"989022"	405.18141	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-H2O-H"	-19.01839
"77508"	281.792590666667	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M-3H"	-3.021828
"515977"	423.192524	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M-3H"	-3.021828
"888313"	140.392657333333	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-3H"	-3.021828
"11626"	423.192524	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M-2H"	-2.014552
"451914"	635.292424	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M-2H"	-2.014552
"832068"	211.092624	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-2H"	-2.014552
"91168"	847.392324	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M-H"	-1.007276
"530361"	1271.592124	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M-H"	-1.007276
"904883"	423.192524	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-H"	-1.007276
"59255"	864.418871	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M-2H+NH4"	16.019271
"494441"	1288.618671	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M-2H+NH4"	16.019271
"872244"	440.219071	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-2H+NH4"	16.019271
"40143"	869.374266	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M-2H+Na"	20.974666
"477516"	1293.574066	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M-2H+Na"	20.974666
"855319"	445.174466	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-2H+Na"	20.974666
"1629225"	445.174466	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Na-2H"	20.974666
"102476"	441.180863	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M-H+Cl"	33.962126
"539847"	653.280763	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M-H+Cl"	33.962126
"932270"	229.080963	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-H+Cl"	33.962126
"273015"	883.369002	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+Cl"	34.969402
"671998"	1307.568802	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+Cl"	34.969402
"1285495"	459.169202	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Cl"	34.969402
"25867"	885.348206	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M-2H+K"	36.948606
"465428"	1309.548006	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M-2H+K"	36.948606
"842136"	461.148406	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-2H+K"	36.948606
"1566717"	461.148406	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+K-2H"	36.948606
"957152"	469.197994	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-H+HCOOH"	44.998194
"375002"	893.397801	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+HCOOH-H"	44.998201
"355604"	907.413451	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+Hac-H"	59.013851
"1505166"	483.213651	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Hac-H"	59.013851
"973680"	491.179951	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-H+NaCOOH"	66.980151
"121980"	459.169202	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+2Cl"	69.938804
"564820"	671.269102	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+2Cl"	69.938804
"1034713"	247.069302	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2Cl"	69.938804
"1256477"	503.118685	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Br"	78.918885
"1313458"	505.174672	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Cl+HCOOH"	80.974872
"1322572"	527.156629	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Cl+NaCOOH"	102.956829
"911804"	537.185386	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M-H+CF3COOH"	112.985586
"1289249"	573.162064	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Cl+CF3COOH"	148.962264
"1377988"	389.187124	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H-2H2O"	-35.012676
"1388922"	407.1971	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H-H2O"	-17.0027
"286421"	849.406876	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+H"	1.007276
"679936"	1273.606676	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+H"	1.007276
"1357376"	425.207076	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H"	1.007276
"132452"	425.207076	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+2H"	2.014552
"571285"	637.306976	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+2H"	2.014552
"1045187"	213.107176	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2H"	2.014552
"213089"	283.807142666667	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+3H"	3.021828
"655929"	425.207076	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+3H"	3.021828
"1177094"	142.407209333333	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+3H"	3.021828
"438425"	866.433423	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+NH4"	18.033823
"789582"	1290.633223	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+NH4"	18.033823
"1689194"	442.233623	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+NH4"	18.033823
"340753"	433.7203495	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+H+NH4"	19.041099
"733174"	645.8202495	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+H+NH4"	19.041099
"1488088"	221.6204495	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H+NH4"	19.041099
"399116"	871.388818	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+Na"	22.989218
"762299"	1295.588618	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+Na"	22.989218
"1610395"	447.189018	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Na"	22.989218
"320432"	436.198047	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+H+Na"	23.996494
"708600"	648.297947	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+H+Na"	23.996494
"1463389"	224.098147	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H+Na"	23.996494
"1058820"	149.734523333333	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2H+Na"	25.00377
"1260863"	457.233286	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+CH3OH+H"	33.033486
"381262"	887.362758	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+K"	38.963158
"745546"	1311.562558	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+K"	38.963158
"1548695"	463.162958	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+K"	38.963158
"306963"	444.185017	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+H+K"	39.970434
"699386"	656.284917	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+H+K"	39.970434
"1449930"	232.085117	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H+K"	39.970434
"241812"	890.433426	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+ACN+H"	42.033826
"1215983"	466.233626	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+ACN+H"	42.033826
"1201688"	233.620451	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+ACN+2H"	43.041102
"196746"	893.37076	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+2Na-H"	44.97116
"634117"	1317.57056	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+2Na-H"	44.97116
"1133613"	469.17096	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2Na-H"	44.97116
"175803"	447.189018	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+2Na"	45.978436
"615729"	659.288918	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+2Na"	45.978436
"1119607"	235.089118	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2Na"	45.978436
"1404228"	157.061837333333	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H+2Na"	46.985712
"1432328"	471.212546	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H+HCOOH"	47.012746
"223855"	452.22204	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+3H2O+2H"	56.04448
"1510822"	485.26459	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+IsoProp+H"	61.06479
"415977"	455.175988	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+Na+K"	61.952376
"775878"	667.275888	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+Na+K"	61.952376
"1668930"	243.076088	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Na+K"	61.952376
"258734"	912.415368	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+ACN+Na"	64.015768
"1231441"	488.215568	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+ACN+Na"	64.015768
"1724703"	488.239093	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+NH4+HCOOH"	64.039293
"1191518"	164.389151333333	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+3Na"	68.967654
"1655575"	493.194488	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Na+HCOOH"	68.994688
"169001"	925.31864	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+2K-H"	76.91904
"606375"	1349.51844	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+2K-H"	76.91904
"1090885"	501.11884	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2K-H"	76.91904
"153172"	463.162958	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"2M+2K"	77.926316
"595286"	675.262858	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"3M+2K"	77.926316
"1081617"	251.063058	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2K"	77.926316
"1111548"	503.133392	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2K+H"	78.933592
"1347930"	503.221007	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+DMSO+H"	79.021207
"1020226"	507.260176	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2ACN+H"	83.060376
"1533490"	508.253808	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+IsoProp+Na+H"	84.054008
"998848"	254.133726	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+2ACN+2H"	84.067652
"1592258"	509.168428	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+K+HCOOH"	84.968628
"1420103"	539.199938	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+H+CF3COOH"	115.000138
"1161337"	274.647001	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+3ACN+2H"	125.094202
"1708702"	556.226485	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+NH4+CF3COOH"	132.026685
"1649698"	561.18188	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+Na+CF3COOH"	136.98208
"1583282"	577.15582	"C06843"	"Benazepril"	"C24H28N2O5"	"424.1998"	"M+K+CF3COOH"	152.95602
"816207"	307.1936	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M"	0
"981723"	288.17521	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-H2O-H"	-19.01839
"74337"	203.788457333333	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M-3H"	-3.021828
"513898"	306.186324	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M-3H"	-3.021828
"890609"	101.390590666667	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-3H"	-3.021828
"11367"	306.186324	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M-2H"	-2.014552
"452021"	459.783124	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M-2H"	-2.014552
"827635"	152.589524	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-2H"	-2.014552
"92002"	613.379924	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M-H"	-1.007276
"531560"	920.573524	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M-H"	-1.007276
"904988"	306.186324	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-H"	-1.007276
"57175"	630.406471	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M-2H+NH4"	16.019271
"495643"	937.600071	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M-2H+NH4"	16.019271
"874538"	323.212871	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-2H+NH4"	16.019271
"35877"	635.361866	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M-2H+Na"	20.974666
"479812"	942.555466	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M-2H+Na"	20.974666
"857615"	328.168266	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-2H+Na"	20.974666
"1629335"	328.168266	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Na-2H"	20.974666
"104772"	324.174663	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M-H+Cl"	33.962126
"537771"	477.771463	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M-H+Cl"	33.962126
"936757"	170.577863	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-H+Cl"	33.962126
"274221"	649.356602	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+Cl"	34.969402
"667736"	956.550202	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+Cl"	34.969402
"1277952"	342.163002	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Cl"	34.969402
"21601"	651.335806	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M-2H+K"	36.948606
"465536"	958.529406	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M-2H+K"	36.948606
"842243"	344.142206	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-2H+K"	36.948606
"1564639"	344.142206	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+K-2H"	36.948606
"952522"	352.191794	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-H+HCOOH"	44.998194
"371832"	659.385401	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+HCOOH-H"	44.998201
"355714"	673.401051	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+Hac-H"	59.013851
"1500171"	366.207451	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Hac-H"	59.013851
"971724"	374.173751	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-H+NaCOOH"	66.980151
"122087"	342.163002	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+2Cl"	69.938804
"559462"	495.759802	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+2Cl"	69.938804
"1032635"	188.566202	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2Cl"	69.938804
"1247840"	386.112485	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Br"	78.918885
"1308101"	388.168472	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Cl+HCOOH"	80.974872
"1319924"	410.150429	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Cl+NaCOOH"	102.956829
"924320"	420.179186	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M-H+CF3COOH"	112.985586
"1298842"	456.155864	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Cl+CF3COOH"	148.962264
"1371535"	272.180924	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H-2H2O"	-35.012676
"1387937"	290.1909	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H-H2O"	-17.0027
"291999"	615.394476	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+H"	1.007276
"677859"	922.588076	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+H"	1.007276
"1352019"	308.200876	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H"	1.007276
"138034"	308.200876	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+2H"	2.014552
"577594"	461.797676	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+2H"	2.014552
"1050408"	154.604076	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2H"	2.014552
"218306"	205.803009333333	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+3H"	3.021828
"657867"	308.200876	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+3H"	3.021828
"1176356"	103.405142666667	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+3H"	3.021828
"430883"	632.421023	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+NH4"	18.033823
"794062"	939.614623	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+NH4"	18.033823
"1691488"	325.227423	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+NH4"	18.033823
"335396"	316.7141495	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+H+NH4"	19.041099
"727818"	470.3109495	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+H+NH4"	19.041099
"1482734"	163.1173495	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H+NH4"	19.041099
"399224"	637.376418	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+Na"	22.989218
"762405"	944.570018	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+Na"	22.989218
"1610503"	330.182818	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Na"	22.989218
"321634"	319.191847	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+H+Na"	23.996494
"710776"	472.788647	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+H+Na"	23.996494
"1465689"	165.595047	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H+Na"	23.996494
"1057837"	110.732456666667	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2H+Na"	25.00377
"1258181"	340.227086	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+CH3OH+H"	33.033486
"380287"	653.350358	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+K"	38.963158
"743470"	960.543958	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+K"	38.963158
"1548804"	346.156758	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+K"	38.963158
"303794"	327.178817	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+H+K"	39.970434
"697311"	480.775617	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+H+K"	39.970434
"1450035"	173.582017	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H+K"	39.970434
"238640"	656.421026	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+ACN+H"	42.033826
"1211711"	349.227426	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+ACN+H"	42.033826
"1198513"	175.117351	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+ACN+2H"	43.041102
"196853"	659.35836	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+2Na-H"	44.97116
"633135"	966.55196	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+2Na-H"	44.97116
"1136639"	352.16476	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2Na-H"	44.97116
"177747"	330.182818	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+2Na"	45.978436
"615485"	483.779618	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+2Na"	45.978436
"1120813"	176.586018	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2Na"	45.978436
"1404337"	118.059770666667	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H+2Na"	46.985712
"1432806"	354.206346	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H+HCOOH"	47.012746
"228338"	335.21584	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+3H2O+2H"	56.04448
"1516400"	368.25839	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+IsoProp+H"	61.06479
"413899"	338.169788	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+Na+K"	61.952376
"771251"	491.766588	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+Na+K"	61.952376
"1671230"	184.572988	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Na+K"	61.952376
"257750"	678.402968	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+ACN+Na"	64.015768
"1236657"	371.209368	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+ACN+Na"	64.015768
"1726274"	371.232893	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+NH4+HCOOH"	64.039293
"1191991"	125.387084666667	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+3Na"	68.967654
"1660060"	376.188288	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Na+HCOOH"	68.994688
"166925"	691.30624	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+2K-H"	76.91904
"607579"	998.49984	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+2K-H"	76.91904
"1095372"	384.11264	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2K-H"	76.91904
"154375"	346.156758	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"2M+2K"	77.926316
"593936"	499.753558	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"3M+2K"	77.926316
"1082823"	192.559958	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2K"	77.926316
"1115188"	386.127192	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2K+H"	78.933592
"1348043"	386.214807	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+DMSO+H"	79.021207
"1015482"	390.253976	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2ACN+H"	83.060376
"1534700"	391.247608	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+IsoProp+Na+H"	84.054008
"1000054"	195.630626	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+2ACN+2H"	84.067652
"1592370"	392.162228	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+K+HCOOH"	84.968628
"1426780"	422.193738	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+H+CF3COOH"	115.000138
"1158165"	216.143901	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+3ACN+2H"	125.094202
"1710633"	439.220285	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+NH4+CF3COOH"	132.026685
"1649808"	444.17568	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+Na+CF3COOH"	136.98208
"1583392"	460.14962	"C06846"	"Benztropine;Benzatropine"	"C21H25NO"	"307.1936"	"M+K+CF3COOH"	152.95602
"816438"	366.2671	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M"	0
"988393"	347.24871	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-H2O-H"	-19.01839
"74446"	243.170790666667	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M-3H"	-3.021828
"517288"	365.259824	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M-3H"	-3.021828
"890718"	121.081757333333	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-3H"	-3.021828
"15487"	365.259824	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M-2H"	-2.014552
"454075"	548.393374	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M-2H"	-2.014552
"827745"	182.126274	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-2H"	-2.014552
"91990"	731.526924	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M-H"	-1.007276
"531670"	1097.794024	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M-H"	-1.007276
"906191"	365.259824	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-H"	-1.007276
"57285"	748.553471	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M-2H+NH4"	16.019271
"495752"	1114.820571	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M-2H+NH4"	16.019271
"871368"	382.286371	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-2H+NH4"	16.019271
"37809"	753.508866	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M-2H+Na"	20.974666
"479921"	1119.775966	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M-2H+Na"	20.974666
"857725"	387.241766	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-2H+Na"	20.974666
"1623978"	387.241766	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Na-2H"	20.974666
"99415"	383.248163	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M-H+Cl"	33.962126
"540069"	566.381713	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M-H+Cl"	33.962126
"936867"	200.114613	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-H+Cl"	33.962126
"274331"	767.503602	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+Cl"	34.969402
"664566"	1133.770702	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+Cl"	34.969402
"1280248"	401.236502	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Cl"	34.969402
"24991"	769.482806	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M-2H+K"	36.948606
"468925"	1135.749906	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M-2H+K"	36.948606
"841259"	403.215706	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-2H+K"	36.948606
"1566935"	403.215706	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+K-2H"	36.948606
"953725"	411.265294	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-H+HCOOH"	44.998194
"374129"	777.532401	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+HCOOH-H"	44.998201
"355460"	791.548051	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+Hac-H"	59.013851
"1506114"	425.280951	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Hac-H"	59.013851
"973418"	433.247251	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-H+NaCOOH"	66.980151
"123292"	401.236502	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+2Cl"	69.938804
"563946"	584.370052	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+2Cl"	69.938804
"1033838"	218.102952	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2Cl"	69.938804
"1249043"	445.185985	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Br"	78.918885
"1308212"	447.241972	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Cl+HCOOH"	80.974872
"1321700"	469.223929	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Cl+NaCOOH"	102.956829
"926868"	479.252686	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M-H+CF3COOH"	112.985586
"1301139"	515.229364	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Cl+CF3COOH"	148.962264
"1374925"	331.254424	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H-2H2O"	-35.012676
"1391327"	349.2644	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H-H2O"	-17.0027
"295390"	733.541476	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+H"	1.007276
"684529"	1099.808576	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+H"	1.007276
"1359785"	367.274376	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H"	1.007276
"134864"	367.274376	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+2H"	2.014552
"572237"	550.407926	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+2H"	2.014552
"1050154"	184.140826	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2H"	2.014552
"219389"	245.185342666667	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+3H"	3.021828
"658708"	367.274376	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+3H"	3.021828
"1177197"	123.096309333333	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+3H"	3.021828
"434273"	750.568023	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+NH4"	18.033823
"796359"	1116.835123	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+NH4"	18.033823
"1692691"	384.300923	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+NH4"	18.033823
"338786"	375.7876495	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+H+NH4"	19.041099
"734488"	558.9211995	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+H+NH4"	19.041099
"1483936"	192.6540995	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H+NH4"	19.041099
"398240"	755.523418	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+Na"	22.989218
"766525"	1121.790518	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+Na"	22.989218
"1615353"	389.256318	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Na"	22.989218
"325025"	378.265347	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+H+Na"	23.996494
"718539"	561.398897	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+H+Na"	23.996494
"1465799"	195.131797	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H+Na"	23.996494
"1056857"	130.423623333333	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2H+Na"	25.00377
"1259628"	399.300586	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+CH3OH+H"	33.033486
"380754"	771.497358	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+K"	38.963158
"744673"	1137.764458	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+K"	38.963158
"1544539"	405.230258	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+K"	38.963158
"304999"	386.252317	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+H+K"	39.970434
"697418"	569.385867	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+H+K"	39.970434
"1449416"	203.118767	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H+K"	39.970434
"237652"	774.568026	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+ACN+H"	42.033826
"1215834"	408.300926	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+ACN+H"	42.033826
"1200810"	204.654101	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+ACN+2H"	43.041102
"194775"	777.50536	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+2Na-H"	44.97116
"631058"	1143.77246	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+2Na-H"	44.97116
"1136749"	411.23826	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2Na-H"	44.97116
"180043"	389.256318	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+2Na"	45.978436
"617417"	572.389868	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+2Na"	45.978436
"1117642"	206.122768	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2Na"	45.978436
"1400072"	137.750937333333	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H+2Na"	46.985712
"1431577"	413.279846	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H+HCOOH"	47.012746
"227353"	394.28934	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+3H2O+2H"	56.04448
"1511042"	427.33189	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+IsoProp+H"	61.06479
"411457"	397.243288	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+Na+K"	61.952376
"770387"	580.376838	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+Na+K"	61.952376
"1671340"	214.109738	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Na+K"	61.952376
"257859"	796.549968	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+ACN+Na"	64.015768
"1238954"	430.282868	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+ACN+Na"	64.015768
"1727477"	430.306393	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+NH4+HCOOH"	64.039293
"1192344"	145.078251333333	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+3Na"	68.967654
"1661263"	435.261788	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Na+HCOOH"	68.994688
"170314"	809.45324	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+2K-H"	76.91904
"605501"	1175.72034	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+2K-H"	76.91904
"1095482"	443.18614	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2K-H"	76.91904
"153390"	405.230258	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"2M+2K"	77.926316
"592951"	588.363808	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"3M+2K"	77.926316
"1082932"	222.096708	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2K"	77.926316
"1114685"	445.200692	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2K+H"	78.933592
"1350218"	445.288307	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+DMSO+H"	79.021207
"1016684"	449.327476	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2ACN+H"	83.060376
"1532621"	450.321108	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+IsoProp+Na+H"	84.054008
"995789"	225.167376	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+2ACN+2H"	84.067652
"1593573"	451.235728	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+K+HCOOH"	84.968628
"1424701"	481.267238	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+H+CF3COOH"	115.000138
"1156086"	245.680651	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+3ACN+2H"	125.094202
"1711836"	498.293785	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+NH4+CF3COOH"	132.026685
"1649433"	503.24918	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+Na+CF3COOH"	136.98208
"1583502"	519.22312	"C06847"	"Bepridil"	"C24H34N2O"	"366.2671"	"M+K+CF3COOH"	152.95602
"816709"	392.1999	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M"	0
"985222"	373.18151	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-H2O-H"	-19.01839
"70186"	260.459324	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M-3H"	-3.021828
"511932"	391.192624	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M-3H"	-3.021828
"889734"	129.726024	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-3H"	-3.021828
"14503"	391.192624	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M-2H"	-2.014552
"454306"	587.292574	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M-2H"	-2.014552
"827855"	195.092674	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-2H"	-2.014552
"92221"	783.392524	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M-H"	-1.007276
"530687"	1175.592424	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M-H"	-1.007276
"909582"	391.192624	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-H"	-1.007276
"61769"	800.419071	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M-2H+NH4"	16.019271
"494769"	1192.618971	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M-2H+NH4"	16.019271
"871478"	408.219171	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-2H+NH4"	16.019271
"40472"	805.374466	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M-2H+Na"	20.974666
"482219"	1197.574366	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M-2H+Na"	20.974666
"863954"	413.174566	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-2H+Na"	20.974666
"1626275"	413.174566	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Na-2H"	20.974666
"102805"	409.180963	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M-H+Cl"	33.962126
"542366"	605.280913	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M-H+Cl"	33.962126
"941474"	213.081013	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-H+Cl"	33.962126
"277722"	819.369202	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+Cl"	34.969402
"670873"	1211.569102	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+Cl"	34.969402
"1286193"	427.169302	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Cl"	34.969402
"25103"	821.348406	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M-2H+K"	36.948606
"466849"	1213.548306	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M-2H+K"	36.948606
"843558"	429.148506	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-2H+K"	36.948606
"1569233"	429.148506	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+K-2H"	36.948606
"957686"	437.198094	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-H+HCOOH"	44.998194
"374238"	829.398001	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+HCOOH-H"	44.998201
"358122"	843.413651	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+Hac-H"	59.013851
"1505496"	451.213751	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Hac-H"	59.013851
"974127"	459.180051	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-H+NaCOOH"	66.980151
"125390"	427.169302	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+2Cl"	69.938804
"559681"	623.269252	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+2Cl"	69.938804
"1034679"	231.069352	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2Cl"	69.938804
"1254620"	471.118785	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Br"	78.918885
"1305770"	473.174772	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Cl+HCOOH"	80.974872
"1322174"	495.156729	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Cl+NaCOOH"	102.956829
"915788"	505.185486	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M-H+CF3COOH"	112.985586
"1301249"	541.162164	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Cl+CF3COOH"	148.962264
"1376129"	357.187224	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H-2H2O"	-35.012676
"1390345"	375.1972	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H-H2O"	-17.0027
"292218"	785.407076	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+H"	1.007276
"690106"	1177.606976	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+H"	1.007276
"1359895"	393.207176	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H"	1.007276
"132787"	393.207176	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+2H"	2.014552
"579275"	589.307126	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+2H"	2.014552
"1051727"	197.107226	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2H"	2.014552
"218532"	262.473876	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+3H"	3.021828
"659184"	393.207176	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+3H"	3.021828
"1178244"	131.740576	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+3H"	3.021828
"439846"	802.433623	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+NH4"	18.033823
"798656"	1194.633523	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+NH4"	18.033823
"1693894"	410.233723	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+NH4"	18.033823
"341083"	401.7204495	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+H+NH4"	19.041099
"736785"	597.8203995	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+H+NH4"	19.041099
"1491700"	205.6204995	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H+NH4"	19.041099
"396163"	807.389018	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+Na"	22.989218
"769186"	1199.588918	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+Na"	22.989218
"1617286"	415.189118	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Na"	22.989218
"327321"	404.198147	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+H+Na"	23.996494
"716462"	600.298097	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+H+Na"	23.996494
"1467002"	208.098197	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H+Na"	23.996494
"1055144"	139.06789	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2H+Na"	25.00377
"1261923"	425.233386	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+CH3OH+H"	33.033486
"377831"	823.362958	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+K"	38.963158
"741867"	1215.562858	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+K"	38.963158
"1546839"	431.163058	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+K"	38.963158
"305109"	412.185117	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+H+K"	39.970434
"695707"	608.285067	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+H+K"	39.970434
"1451353"	216.085167	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H+K"	39.970434
"243235"	826.433626	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+ACN+H"	42.033826
"1213754"	434.233726	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+ACN+H"	42.033826
"1202016"	217.620501	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+ACN+2H"	43.041102
"198168"	829.37096	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+2Na-H"	44.97116
"636636"	1221.57086	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+2Na-H"	44.97116
"1140142"	437.17106	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2Na-H"	44.97116
"183435"	415.189118	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+2Na"	45.978436
"620808"	611.289068	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+2Na"	45.978436
"1118846"	219.089168	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2Na"	45.978436
"1402370"	146.395204	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H+2Na"	46.985712
"1438861"	439.212646	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H+HCOOH"	47.012746
"226371"	420.22214	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+3H2O+2H"	56.04448
"1518808"	453.26469	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+IsoProp+H"	61.06479
"416308"	423.176088	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+Na+K"	61.952376
"776212"	619.276038	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+Na+K"	61.952376
"1676919"	227.076138	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Na+K"	61.952376
"265264"	848.415568	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+ACN+Na"	64.015768
"1235056"	456.215668	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+ACN+Na"	64.015768
"1727952"	456.239193	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+NH4+HCOOH"	64.039293
"1190389"	153.722518	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+3Na"	68.967654
"1664658"	461.194588	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Na+HCOOH"	68.994688
"171519"	861.31884	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+2K-H"	76.91904
"607801"	1253.51874	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+2K-H"	76.91904
"1095589"	469.11894	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2K-H"	76.91904
"155567"	431.163058	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"2M+2K"	77.926316
"595250"	627.263008	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"3M+2K"	77.926316
"1080855"	235.063108	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2K"	77.926316
"1110784"	471.133492	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2K+H"	78.933592
"1347169"	471.221107	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+DMSO+H"	79.021207
"1016793"	475.260276	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2ACN+H"	83.060376
"1533826"	476.253908	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+IsoProp+Na+H"	84.054008
"998087"	238.133776	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+2ACN+2H"	84.067652
"1596965"	477.168528	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+K+HCOOH"	84.968628
"1427000"	507.200038	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+H+CF3COOH"	115.000138
"1160573"	258.647051	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+3ACN+2H"	125.094202
"1705751"	524.226585	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+NH4+CF3COOH"	132.026685
"1649543"	529.18198	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+Na+CF3COOH"	136.98208
"1583612"	545.15592	"C06848"	"Betamethasone"	"C22H29FO5"	"392.1999"	"M+K+CF3COOH"	152.95602
"816860"	307.2147	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M"	0
"989686"	288.19631	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-H2O-H"	-19.01839
"72480"	203.802524	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M-3H"	-3.021828
"517143"	306.207424	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M-3H"	-3.021828
"890937"	101.397624	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-3H"	-3.021828
"14978"	306.207424	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M-2H"	-2.014552
"450164"	459.814774	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M-2H"	-2.014552
"824684"	152.600074	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-2H"	-2.014552
"86863"	613.422124	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M-H"	-1.007276
"530798"	920.636824	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M-H"	-1.007276
"908600"	306.207424	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-H"	-1.007276
"59693"	630.448671	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M-2H+NH4"	16.019271
"492692"	937.663371	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M-2H+NH4"	16.019271
"871589"	323.233971	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-2H+NH4"	16.019271
"44593"	635.404066	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M-2H+Na"	20.974666
"482331"	942.618766	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M-2H+Na"	20.974666
"857947"	328.189366	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-2H+Na"	20.974666
"1628574"	328.189366	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Na-2H"	20.974666
"107290"	324.195763	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M-H+Cl"	33.962126
"542477"	477.803113	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M-H+Cl"	33.962126
"938181"	170.588413	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-H+Cl"	33.962126
"280021"	649.398802	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+Cl"	34.969402
"674997"	956.613502	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+Cl"	34.969402
"1286304"	342.184102	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Cl"	34.969402
"27400"	651.378006	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M-2H+K"	36.948606
"469147"	958.592706	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M-2H+K"	36.948606
"844762"	344.163306	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-2H+K"	36.948606
"1567157"	344.163306	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+K-2H"	36.948606
"958007"	352.212894	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-H+HCOOH"	44.998194
"377110"	659.427601	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+HCOOH-H"	44.998201
"360790"	673.443251	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+Hac-H"	59.013851
"1506337"	366.228551	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Hac-H"	59.013851
"973964"	374.194851	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-H+NaCOOH"	66.980151
"122420"	342.184102	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+2Cl"	69.938804
"559792"	495.791452	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+2Cl"	69.938804
"1035883"	188.576752	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2Cl"	69.938804
"1255823"	386.133585	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Br"	78.918885
"1306609"	388.189572	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Cl+HCOOH"	80.974872
"1321191"	410.171529	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Cl+NaCOOH"	102.956829
"916991"	420.200286	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M-H+CF3COOH"	112.985586
"1299172"	456.176964	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Cl+CF3COOH"	148.962264
"1376239"	272.202024	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H-2H2O"	-35.012676
"1394829"	290.212	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H-H2O"	-17.0027
"292328"	615.436676	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+H"	1.007276
"682563"	922.651376	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+H"	1.007276
"1357817"	308.221976	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H"	1.007276
"136179"	308.221976	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+2H"	2.014552
"578294"	461.829326	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+2H"	2.014552
"1051837"	154.614626	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2H"	2.014552
"218275"	205.817076	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+3H"	3.021828
"659053"	308.221976	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+3H"	3.021828
"1174501"	103.412176	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+3H"	3.021828
"436679"	632.463223	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+NH4"	18.033823
"795490"	939.677923	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+NH4"	18.033823
"1688541"	325.248523	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+NH4"	18.033823
"341194"	316.7352495	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+H+NH4"	19.041099
"728151"	470.3425995	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+H+NH4"	19.041099
"1487435"	163.1278995	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H+NH4"	19.041099
"406116"	637.418618	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+Na"	22.989218
"767110"	944.633318	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+Na"	22.989218
"1611926"	330.203918	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Na"	22.989218
"327067"	319.212947	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+H+Na"	23.996494
"707457"	472.820297	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+H+Na"	23.996494
"1464924"	165.605597	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H+Na"	23.996494
"1054890"	110.73949	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2H+Na"	25.00377
"1257287"	340.248186	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+CH3OH+H"	33.033486
"379888"	653.392558	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+K"	38.963158
"741980"	960.607258	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+K"	38.963158
"1541118"	346.177858	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+K"	38.963158
"302303"	327.199917	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+H+K"	39.970434
"692901"	480.807267	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+H+K"	39.970434
"1450371"	173.592567	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H+K"	39.970434
"240066"	656.463226	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+ACN+H"	42.033826
"1213868"	349.248526	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+ACN+H"	42.033826
"1199940"	175.127901	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+ACN+2H"	43.041102
"190989"	659.40056	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+2Na-H"	44.97116
"633464"	966.61526	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+2Na-H"	44.97116
"1135148"	352.18586	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2Na-H"	44.97116
"176984"	330.203918	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+2Na"	45.978436
"619825"	483.811268	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+2Na"	45.978436
"1121144"	176.596568	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2Na"	45.978436
"1409043"	118.066804	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H+2Na"	46.985712
"1443348"	354.227446	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H+HCOOH"	47.012746
"227576"	335.23694	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+3H2O+2H"	56.04448
"1518918"	368.27949	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+IsoProp+H"	61.06479
"417511"	338.190888	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+Na+K"	61.952376
"776686"	491.798238	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+Na+K"	61.952376
"1679584"	184.583538	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Na+K"	61.952376
"266716"	678.445168	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+ACN+Na"	64.015768
"1240270"	371.230468	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+ACN+Na"	64.015768
"1727096"	371.253993	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+NH4+HCOOH"	64.039293
"1192686"	125.394118	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+3Na"	68.967654
"1665342"	376.209388	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Na+HCOOH"	68.994688
"172239"	691.34844	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+2K-H"	76.91904
"610096"	998.56314	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+2K-H"	76.91904
"1094611"	384.13374	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2K-H"	76.91904
"153614"	346.177858	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"2M+2K"	77.926316
"595239"	499.785208	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"3M+2K"	77.926316
"1083031"	192.570508	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2K"	77.926316
"1108709"	386.148292	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2K+H"	78.933592
"1348374"	386.235907	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+DMSO+H"	79.021207
"1016905"	390.275076	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2ACN+H"	83.060376
"1532844"	391.268708	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+IsoProp+Na+H"	84.054008
"1004759"	195.641176	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+2ACN+2H"	84.067652
"1597075"	392.183328	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+K+HCOOH"	84.968628
"1427110"	422.214838	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+H+CF3COOH"	115.000138
"1162384"	216.154451	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+3ACN+2H"	125.094202
"1712717"	439.241385	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+NH4+CF3COOH"	132.026685
"1649733"	444.19678	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+Na+CF3COOH"	136.98208
"1583722"	460.17072	"C06849"	"Betaxolol"	"C18H29NO3"	"307.2147"	"M+K+CF3COOH"	152.95602
"812998"	161.129	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M"	0
"988599"	142.11061	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-H2O-H"	-19.01839
"75141"	106.412057333333	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M-3H"	-3.021828
"513244"	160.121724	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M-3H"	-3.021828
"887768"	52.7023906666667	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-3H"	-3.021828
"9621"	160.121724	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M-2H"	-2.014552
"446994"	240.686224	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M-2H"	-2.014552
"823701"	79.557224	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-2H"	-2.014552
"85880"	321.250724	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M-H"	-1.007276
"530908"	482.379724	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M-H"	-1.007276
"905430"	160.121724	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-H"	-1.007276
"56523"	338.277271	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M-2H+NH4"	16.019271
"490616"	499.406271	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M-2H+NH4"	16.019271
"870606"	177.148271	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-2H+NH4"	16.019271
"42880"	343.232666	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M-2H+Na"	20.974666
"482441"	504.361666	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M-2H+Na"	20.974666
"853683"	182.103666	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-2H+Na"	20.974666
"1622123"	182.103666	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Na-2H"	20.974666
"99745"	178.110063	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M-H+Cl"	33.962126
"538213"	258.674563	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M-H+Cl"	33.962126
"933916"	97.545563	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-H+Cl"	33.962126
"277944"	357.227402	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+Cl"	34.969402
"675391"	518.356402	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+Cl"	34.969402
"1286050"	196.098402	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Cl"	34.969402
"28603"	359.206606	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M-2H+K"	36.948606
"468163"	520.335606	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M-2H+K"	36.948606
"842686"	198.077606	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-2H+K"	36.948606
"1567266"	198.077606	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+K-2H"	36.948606
"957337"	206.127194	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-H+HCOOH"	44.998194
"376653"	367.256201	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+HCOOH-H"	44.998201
"359071"	381.271851	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+Hac-H"	59.013851
"1504623"	220.142851	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Hac-H"	59.013851
"973139"	228.109151	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-H+NaCOOH"	66.980151
"121436"	196.098402	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+2Cl"	69.938804
"559901"	276.662902	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+2Cl"	69.938804
"1031982"	115.533902	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2Cl"	69.938804
"1255569"	240.047885	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Br"	78.918885
"1306353"	242.103872	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Cl+HCOOH"	80.974872
"1320571"	264.085829	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Cl+NaCOOH"	102.956829
"912728"	274.114586	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M-H+CF3COOH"	112.985586
"1301106"	310.091264	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Cl+CF3COOH"	148.962264
"1378536"	126.116324	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H-2H2O"	-35.012676
"1394939"	144.1263	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H-H2O"	-17.0027
"292438"	323.265276	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+H"	1.007276
"681580"	484.394276	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+H"	1.007276
"1355741"	162.136276	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H"	1.007276
"136289"	162.136276	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+2H"	2.014552
"579132"	242.700776	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+2H"	2.014552
"1048661"	81.571776	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2H"	2.014552
"219114"	108.426609333333	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+3H"	3.021828
"659286"	162.136276	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+3H"	3.021828
"1169144"	54.7169426666667	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+3H"	3.021828
"433509"	340.291823	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+NH4"	18.033823
"789038"	501.420823	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+NH4"	18.033823
"1688652"	179.162823	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+NH4"	18.033823
"338024"	170.6495495	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+H+NH4"	19.041099
"731541"	251.2140495	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+H+NH4"	19.041099
"1479891"	90.0850495	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H+NH4"	19.041099
"395290"	345.247218	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+Na"	22.989218
"760658"	506.376218	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+Na"	22.989218
"1605476"	184.118218	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Na"	22.989218
"317699"	173.127247	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+H+Na"	23.996494
"707931"	253.691747	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+H+Na"	23.996494
"1466126"	92.562747	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H+Na"	23.996494
"1054997"	62.0442566666667	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2H+Na"	25.00377
"1257646"	194.162486	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+CH3OH+H"	33.033486
"377174"	361.221158	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+K"	38.963158
"739171"	522.350158	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+K"	38.963158
"1544871"	200.092158	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+K"	38.963158
"300590"	181.114217	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+H+K"	39.970434
"693010"	261.678717	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+H+K"	39.970434
"1449019"	100.549717	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H+K"	39.970434
"237621"	364.291826	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+ACN+H"	42.033826
"1212150"	203.162826	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+ACN+H"	42.033826
"1198957"	102.085051	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+ACN+2H"	43.041102
"188949"	367.22916	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+2Na-H"	44.97116
"628750"	528.35816	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+2Na-H"	44.97116
"1133434"	206.10016	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2Na-H"	44.97116
"177094"	184.118218	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+2Na"	45.978436
"618842"	264.682718	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+2Na"	45.978436
"1119068"	103.553718	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2Na"	45.978436
"1403687"	69.3715706666667	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H+2Na"	46.985712
"1440178"	208.141746	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H+HCOOH"	47.012746
"227686"	189.15124	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+3H2O+2H"	56.04448
"1516842"	222.19379	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+IsoProp+H"	61.06479
"412155"	192.105188	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+Na+K"	61.952376
"771328"	272.669688	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+Na+K"	61.952376
"1679327"	111.540688	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Na+K"	61.952376
"266581"	386.273768	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+ACN+Na"	64.015768
"1238556"	225.144768	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+ACN+Na"	64.015768
"1727082"	225.168293	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+NH4+HCOOH"	64.039293
"1191703"	76.6988846666667	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+3Na"	68.967654
"1665406"	230.123688	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Na+HCOOH"	68.994688
"169553"	399.17704	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+2K-H"	76.91904
"609112"	560.30604	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+2K-H"	76.91904
"1094721"	238.04804	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2K-H"	76.91904
"151537"	200.092158	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"2M+2K"	77.926316
"594377"	280.656658	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"3M+2K"	77.926316
"1083871"	119.527658	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2K"	77.926316
"1108819"	240.062592	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2K+H"	78.933592
"1348484"	240.150207	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+DMSO+H"	79.021207
"1018108"	244.189376	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2ACN+H"	83.060376
"1532954"	245.183008	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+IsoProp+Na+H"	84.054008
"1004869"	122.598326	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+2ACN+2H"	84.067652
"1598278"	246.097628	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+K+HCOOH"	84.968628
"1427220"	276.129138	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+H+CF3COOH"	115.000138
"1155325"	143.111601	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+3ACN+2H"	125.094202
"1708155"	293.155685	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+NH4+CF3COOH"	132.026685
"1648181"	298.11108	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+Na+CF3COOH"	136.98208
"1583832"	314.08502	"C06850"	"Bethanechol"	"C7H17N2O2"	"161.129"	"M+K+CF3COOH"	152.95602
"814201"	325.2253	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M"	0
"988831"	306.20691	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-H2O-H"	-19.01839
"73792"	215.809590666667	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M-3H"	-3.021828
"508980"	324.218024	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M-3H"	-3.021828
"886785"	107.401157333333	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-3H"	-3.021828
"9731"	324.218024	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M-2H"	-2.014552
"443823"	486.830674	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M-2H"	-2.014552
"821623"	161.605374	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-2H"	-2.014552
"83801"	649.443324	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M-H"	-1.007276
"525550"	974.668624	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M-H"	-1.007276
"909308"	324.218024	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-H"	-1.007276
"56633"	666.469871	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M-2H+NH4"	16.019271
"496194"	991.695171	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M-2H+NH4"	16.019271
"868528"	341.244571	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-2H+NH4"	16.019271
"41896"	671.425266	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M-2H+Na"	20.974666
"478176"	996.650566	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M-2H+Na"	20.974666
"853793"	346.199966	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-2H+Na"	20.974666
"1623326"	346.199966	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Na-2H"	20.974666
"102042"	342.206363	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M-H+Cl"	33.962126
"538323"	504.819013	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M-H+Cl"	33.962126
"934026"	179.593713	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-H+Cl"	33.962126
"279147"	685.420002	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+Cl"	34.969402
"674852"	1010.645302	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+Cl"	34.969402
"1284702"	360.194702	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Cl"	34.969402
"26527"	687.399206	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M-2H+K"	36.948606
"468273"	1012.624506	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M-2H+K"	36.948606
"843890"	362.173906	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-2H+K"	36.948606
"1567377"	362.173906	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+K-2H"	36.948606
"957815"	370.223494	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-H+HCOOH"	44.998194
"376762"	695.448801	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+HCOOH-H"	44.998201
"358817"	709.464451	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+Hac-H"	59.013851
"1504369"	384.239151	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Hac-H"	59.013851
"973370"	392.205451	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-H+NaCOOH"	66.980151
"123369"	360.194702	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+2Cl"	69.938804
"560012"	522.807352	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+2Cl"	69.938804
"1035496"	197.582052	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2Cl"	69.938804
"1255315"	404.144185	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Br"	78.918885
"1306099"	406.200172	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Cl+HCOOH"	80.974872
"1321044"	428.182129	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Cl+NaCOOH"	102.956829
"911659"	438.210886	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M-H+CF3COOH"	112.985586
"1301581"	474.187564	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Cl+CF3COOH"	148.962264
"1377918"	290.212624	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H-2H2O"	-35.012676
"1392862"	308.2226	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H-H2O"	-17.0027
"292548"	651.457876	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+H"	1.007276
"683877"	976.683176	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+H"	1.007276
"1356943"	326.232576	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H"	1.007276
"137128"	326.232576	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+2H"	2.014552
"579970"	488.845226	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+2H"	2.014552
"1048771"	163.619926	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2H"	2.014552
"219468"	217.824142666667	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+3H"	3.021828
"659149"	326.232576	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+3H"	3.021828
"1171441"	109.415709333333	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+3H"	3.021828
"435806"	668.484423	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+NH4"	18.033823
"791334"	993.709723	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+NH4"	18.033823
"1687669"	343.259123	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+NH4"	18.033823
"335947"	334.7458495	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+H+NH4"	19.041099
"726184"	497.3584995	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+H+NH4"	19.041099
"1477569"	172.1331995	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H+NH4"	19.041099
"393575"	673.439818	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+Na"	22.989218
"762954"	998.665118	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+Na"	22.989218
"1605586"	348.214518	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Na"	22.989218
"315377"	337.223547	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+H+Na"	23.996494
"707674"	499.836197	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+H+Na"	23.996494
"1465143"	174.610897	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H+Na"	23.996494
"1053647"	116.743023333333	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2H+Na"	25.00377
"1257389"	358.258786	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+CH3OH+H"	33.033486
"378394"	689.413758	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+K"	38.963158
"739023"	1014.639058	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+K"	38.963158
"1540234"	364.188458	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+K"	38.963158
"301427"	345.210517	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+H+K"	39.970434
"693848"	507.823167	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+H+K"	39.970434
"1448034"	182.597867	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H+K"	39.970434
"239918"	692.484426	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+ACN+H"	42.033826
"1212260"	367.259126	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+ACN+H"	42.033826
"1199067"	184.133201	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+ACN+2H"	43.041102
"189019"	695.42176	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+2Na-H"	44.97116
"629103"	1020.64706	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+2Na-H"	44.97116
"1133544"	370.19646	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2Na-H"	44.97116
"177204"	348.214518	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+2Na"	45.978436
"620045"	510.827168	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+2Na"	45.978436
"1117715"	185.601868	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2Na"	45.978436
"1399414"	124.070337333333	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H+2Na"	46.985712
"1430809"	372.238046	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H+HCOOH"	47.012746
"221962"	353.24754	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+3H2O+2H"	56.04448
"1510754"	386.29009	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+IsoProp+H"	61.06479
"409710"	356.201488	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+Na+K"	61.952376
"770823"	518.814138	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+Na+K"	61.952376
"1677250"	193.588838	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Na+K"	61.952376
"264502"	714.466368	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+ACN+Na"	64.015768
"1238666"	389.241068	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+ACN+Na"	64.015768
"1725369"	389.264593	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+NH4+HCOOH"	64.039293
"1191813"	131.397651333333	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+3Na"	68.967654
"1664865"	394.219988	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Na+HCOOH"	68.994688
"168568"	727.36964	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+2K-H"	76.91904
"605942"	1052.59494	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+2K-H"	76.91904
"1094831"	402.14434	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2K-H"	76.91904
"150554"	364.188458	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"2M+2K"	77.926316
"591207"	526.801108	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"3M+2K"	77.926316
"1083620"	201.575808	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2K"	77.926316
"1107836"	404.158892	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2K+H"	78.933592
"1345314"	404.246507	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+DMSO+H"	79.021207
"1013845"	408.285676	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2ACN+H"	83.060376
"1533063"	409.279308	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+IsoProp+Na+H"	84.054008
"1001699"	204.646476	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+2ACN+2H"	84.067652
"1599481"	410.193928	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+K+HCOOH"	84.968628
"1422956"	440.225438	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+H+CF3COOH"	115.000138
"1155435"	225.159751	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+3ACN+2H"	125.094202
"1704985"	457.251985	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+NH4+CF3COOH"	132.026685
"1648291"	462.20738	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+Na+CF3COOH"	136.98208
"1583942"	478.18132	"C06852"	"Bisoprolol"	"C18H31NO4"	"325.2253"	"M+K+CF3COOH"	152.95602
"814311"	461.2202	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M"	0
"988578"	442.20181	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-H2O-H"	-19.01839
"73902"	306.472857333333	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M-3H"	-3.021828
"507997"	460.212924	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M-3H"	-3.021828
"886895"	152.732790666667	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-3H"	-3.021828
"9841"	460.212924	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M-2H"	-2.014552
"441747"	690.823024	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M-2H"	-2.014552
"822827"	229.602824	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-2H"	-2.014552
"86098"	921.433124	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M-H"	-1.007276
"523474"	1382.653324	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M-H"	-1.007276
"905650"	460.212924	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-H"	-1.007276
"60024"	938.459671	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M-2H+NH4"	16.019271
"496304"	1399.679871	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M-2H+NH4"	16.019271
"874106"	477.239471	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-2H+NH4"	16.019271
"45166"	943.415066	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M-2H+Na"	20.974666
"478286"	1404.635266	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M-2H+Na"	20.974666
"853902"	482.194866	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-2H+Na"	20.974666
"1626716"	482.194866	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Na-2H"	20.974666
"101059"	478.201263	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M-H+Cl"	33.962126
"539527"	708.811363	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M-H+Cl"	33.962126
"936323"	247.591163	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-H+Cl"	33.962126
"278163"	957.409802	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+Cl"	34.969402
"670587"	1418.630002	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+Cl"	34.969402
"1281893"	496.189602	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Cl"	34.969402
"25543"	959.389006	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M-2H+K"	36.948606
"466195"	1420.609206	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M-2H+K"	36.948606
"846184"	498.168806	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-2H+K"	36.948606
"1569674"	498.168806	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+K-2H"	36.948606
"957925"	506.218394	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-H+HCOOH"	44.998194
"374678"	967.438601	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+HCOOH-H"	44.998201
"356373"	981.454251	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+Hac-H"	59.013851
"1499738"	520.234051	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Hac-H"	59.013851
"971654"	528.200351	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-H+NaCOOH"	66.980151
"122384"	496.189602	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+2Cl"	69.938804
"559027"	726.799702	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+2Cl"	69.938804
"1032201"	265.579502	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2Cl"	69.938804
"1255059"	540.139085	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Br"	78.918885
"1307666"	542.195072	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Cl+HCOOH"	80.974872
"1322611"	564.177029	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Cl+NaCOOH"	102.956829
"912947"	574.205786	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M-H+CF3COOH"	112.985586
"1300960"	610.182464	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Cl+CF3COOH"	148.962264
"1372195"	426.207524	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H-2H2O"	-35.012676
"1390785"	444.2175	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H-H2O"	-17.0027
"292658"	923.447676	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+H"	1.007276
"681800"	1384.667876	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+H"	1.007276
"1354503"	462.227476	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H"	1.007276
"133221"	462.227476	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+2H"	2.014552
"567315"	692.837576	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+2H"	2.014552
"1050338"	231.617376	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2H"	2.014552
"218605"	308.487409333333	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+3H"	3.021828
"659708"	462.227476	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+3H"	3.021828
"1168271"	154.747342666667	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+3H"	3.021828
"434823"	940.474223	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+NH4"	18.033823
"788893"	1401.694423	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+NH4"	18.033823
"1687779"	479.254023	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+NH4"	18.033823
"336057"	470.7407495	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+H+NH4"	19.041099
"728481"	701.3508495	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+H+NH4"	19.041099
"1478408"	240.1306495	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H+NH4"	19.041099
"394292"	945.429618	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+Na"	22.989218
"759784"	1406.649818	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+Na"	22.989218
"1605695"	484.209418	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Na"	22.989218
"317919"	473.218447	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+H+Na"	23.996494
"707664"	703.828547	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+H+Na"	23.996494
"1466346"	242.608347	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H+Na"	23.996494
"1053879"	162.074656666667	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2H+Na"	25.00377
"1257621"	494.253686	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+CH3OH+H"	33.033486
"378625"	961.403558	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+K"	38.963158
"739497"	1422.623758	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+K"	38.963158
"1540955"	500.183358	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+K"	38.963158
"301902"	481.205417	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+H+K"	39.970434
"694322"	711.815517	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+H+K"	39.970434
"1448872"	250.595317	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H+K"	39.970434
"238935"	964.474226	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+ACN+H"	42.033826
"1212006"	503.254026	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+ACN+H"	42.033826
"1197715"	252.130651	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+ACN+2H"	43.041102
"191679"	967.41156	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+2Na-H"	44.97116
"631238"	1428.63176	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+2Na-H"	44.97116
"1132553"	506.19136	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2Na-H"	44.97116
"177314"	484.209418	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+2Na"	45.978436
"621248"	714.819518	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+2Na"	45.978436
"1117825"	253.599318	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2Na"	45.978436
"1399646"	169.401970666667	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H+2Na"	46.985712
"1431040"	508.232946	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H+HCOOH"	47.012746
"222801"	489.24244	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+3H2O+2H"	56.04448
"1509768"	522.28499	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+IsoProp+H"	61.06479
"409820"	492.196388	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+Na+K"	61.952376
"770323"	722.806488	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+Na+K"	61.952376
"1675904"	261.586288	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Na+K"	61.952376
"265705"	986.456168	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+ACN+Na"	64.015768
"1237684"	525.235968	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+ACN+Na"	64.015768
"1723657"	525.259493	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+NH4+HCOOH"	64.039293
"1191558"	176.729284666667	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+3Na"	68.967654
"1662910"	530.214888	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Na+HCOOH"	68.994688
"165398"	999.35944	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+2K-H"	76.91904
"609333"	1460.57964	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+2K-H"	76.91904
"1097128"	538.13924	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2K-H"	76.91904
"152851"	500.183358	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"2M+2K"	77.926316
"592411"	730.793458	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"3M+2K"	77.926316
"1084100"	269.573258	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2K"	77.926316
"1111226"	540.153792	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2K+H"	78.933592
"1349314"	540.241407	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+DMSO+H"	79.021207
"1018328"	544.280576	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2ACN+H"	83.060376
"1532081"	545.274208	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+IsoProp+Na+H"	84.054008
"1003754"	272.643926	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+2ACN+2H"	84.067652
"1599593"	546.188828	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+K+HCOOH"	84.968628
"1425254"	576.220338	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+H+CF3COOH"	115.000138
"1155545"	293.157201	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+3ACN+2H"	125.094202
"1701815"	593.246885	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+NH4+CF3COOH"	132.026685
"1645121"	598.20228	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+Na+CF3COOH"	136.98208
"1584052"	614.17622	"C06853"	"Bitolterol"	"C28H31NO5"	"461.2202"	"M+K+CF3COOH"	152.95602
"816244"	1414.519	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M"	0
"989417"	1395.50061	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-H2O-H"	-19.01839
"75471"	942.005390666667	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M-3H"	-3.021828
"514667"	1413.511724	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M-3H"	-3.021828
"884817"	470.499057333333	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-3H"	-3.021828
"7765"	1413.511724	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M-2H"	-2.014552
"442950"	2120.771224	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M-2H"	-2.014552
"826216"	706.252224	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-2H"	-2.014552
"89488"	2828.030724	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M-H"	-1.007276
"525770"	4242.549724	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M-H"	-1.007276
"910985"	1413.511724	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-H"	-1.007276
"54668"	2845.057271	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M-2H+NH4"	16.019271
"497509"	4259.576271	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M-2H+NH4"	16.019271
"873122"	1430.538271	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-2H+NH4"	16.019271
"44303"	2850.012666	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M-2H+Na"	20.974666
"481676"	4264.531666	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M-2H+Na"	20.974666
"852919"	1435.493666	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-2H+Na"	20.974666
"1624639"	1435.493666	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Na-2H"	20.974666
"98979"	1431.500063	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M-H+Cl"	33.962126
"537448"	2138.759563	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M-H+Cl"	33.962126
"939713"	724.240563	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-H+Cl"	33.962126
"279366"	2864.007402	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+Cl"	34.969402
"669603"	4278.526402	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+Cl"	34.969402
"1282003"	1449.488402	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Cl"	34.969402
"24560"	2865.986606	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M-2H+K"	36.948606
"459745"	4280.505606	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M-2H+K"	36.948606
"844107"	1451.467606	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-2H+K"	36.948606
"1567596"	1451.467606	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+K-2H"	36.948606
"956937"	1459.517194	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-H+HCOOH"	44.998194
"376247"	2874.036201	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+HCOOH-H"	44.998201
"356483"	2888.051851	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+Hac-H"	59.013851
"1500941"	1473.532851	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Hac-H"	59.013851
"970670"	1481.499151	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-H+NaCOOH"	66.980151
"118483"	1449.488402	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+2Cl"	69.938804
"556949"	2156.747902	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+2Cl"	69.938804
"1030124"	742.228902	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2Cl"	69.938804
"1250794"	1493.437885	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Br"	78.918885
"1305955"	1495.493872	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Cl+HCOOH"	80.974872
"1320534"	1517.475829	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Cl+NaCOOH"	102.956829
"912326"	1527.504586	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M-H+CF3COOH"	112.985586
"1301070"	1563.481264	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Cl+CF3COOH"	148.962264
"1375585"	1379.506324	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H-2H2O"	-35.012676
"1389802"	1397.5163	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H-H2O"	-17.0027
"287300"	2830.045276	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+H"	1.007276
"683003"	4244.564276	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+H"	1.007276
"1357163"	1415.526276	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H"	1.007276
"131144"	1415.526276	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+2H"	2.014552
"571068"	2122.785776	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+2H"	2.014552
"1044978"	708.266776	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2H"	2.014552
"219080"	944.019942666667	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+3H"	3.021828
"659327"	1415.526276	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+3H"	3.021828
"1169474"	472.513609333333	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+3H"	3.021828
"432745"	2847.071823	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+NH4"	18.033823
"789731"	4261.590823	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+NH4"	18.033823
"1686065"	1432.552823	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+NH4"	18.033823
"333251"	1424.0395495	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+H+NH4"	19.041099
"725311"	2131.2990495	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+H+NH4"	19.041099
"1479123"	716.7800495	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H+NH4"	19.041099
"394161"	2852.027218	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+Na"	22.989218
"760987"	4266.546218	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+Na"	22.989218
"1606899"	1437.508218	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Na"	22.989218
"319122"	1426.517247	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+H+Na"	23.996494
"709112"	2133.776747	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+H+Na"	23.996494
"1464635"	719.257747	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H+Na"	23.996494
"1053990"	479.840923333333	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2H+Na"	25.00377
"1257365"	1447.552486	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+CH3OH+H"	33.033486
"377763"	2868.001158	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+K"	38.963158
"738879"	4282.520158	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+K"	38.963158
"1541063"	1453.482158	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+K"	38.963158
"301648"	1434.504217	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+H+K"	39.970434
"693340"	2141.763717	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+H+K"	39.970434
"1446061"	727.244717	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H+K"	39.970434
"239410"	2871.071826	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+ACN+H"	42.033826
"1213576"	1456.552826	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+ACN+H"	42.033826
"1197825"	728.780051	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+ACN+2H"	43.041102
"191791"	2874.00916	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+2Na-H"	44.97116
"631714"	4288.52816	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+2Na-H"	44.97116
"1132424"	1459.49016	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2Na-H"	44.97116
"177424"	1437.508218	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+2Na"	45.978436
"621358"	2144.767718	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+2Na"	45.978436
"1117327"	730.248718	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2Na"	45.978436
"1399635"	487.168237333333	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H+2Na"	46.985712
"1431150"	1461.531746	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H+HCOOH"	47.012746
"222911"	1442.54124	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+3H2O+2H"	56.04448
"1509514"	1475.58379	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+IsoProp+H"	61.06479
"409566"	1445.495188	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+Na+K"	61.952376
"770311"	2152.754688	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+Na+K"	61.952376
"1674556"	738.235688	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Na+K"	61.952376
"264721"	2893.053768	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+ACN+Na"	64.015768
"1236701"	1478.534768	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+ACN+Na"	64.015768
"1728102"	1478.558293	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+NH4+HCOOH"	64.039293
"1189483"	494.495551333333	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+3Na"	68.967654
"1662657"	1483.513688	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Na+HCOOH"	68.994688
"169517"	2905.95704	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+2K-H"	76.91904
"610171"	4320.47604	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+2K-H"	76.91904
"1096142"	1491.43804	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2K-H"	76.91904
"152961"	1453.482158	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"2M+2K"	77.926316
"596657"	2160.741658	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"3M+2K"	77.926316
"1082868"	746.222658	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2K"	77.926316
"1114863"	1493.452592	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2K+H"	78.933592
"1348814"	1493.540207	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+DMSO+H"	79.021207
"1019532"	1497.579376	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2ACN+H"	83.060376
"1538389"	1498.573008	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+IsoProp+Na+H"	84.054008
"1004106"	749.293326	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+2ACN+2H"	84.067652
"1597517"	1499.487628	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+K+HCOOH"	84.968628
"1425364"	1529.519138	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+H+CF3COOH"	115.000138
"1157841"	769.806601	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+3ACN+2H"	125.094202
"1710672"	1546.545685	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+NH4+CF3COOH"	132.026685
"1645231"	1551.50108	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+Na+CF3COOH"	136.98208
"1584162"	1567.47502	"C06854"	"Bleomycin A2"	"C55H84N17O21S3"	"1414.519"	"M+K+CF3COOH"	152.95602
"816354"	242.0544	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M"	0
"988433"	223.03601	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-H2O-H"	-19.01839
"74122"	160.362324	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M-3H"	-3.021828
"514777"	241.047124	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M-3H"	-3.021828
"881647"	79.677524	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-3H"	-3.021828
"6782"	241.047124	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M-2H"	-2.014552
"444153"	362.074324	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M-2H"	-2.014552
"826327"	120.019924	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-2H"	-2.014552
"87412"	483.101524	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M-H"	-1.007276
"528067"	725.155924	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M-H"	-1.007276
"911136"	241.047124	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-H"	-1.007276
"61337"	500.128071	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M-2H+NH4"	16.019271
"495432"	742.182471	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M-2H+NH4"	16.019271
"869952"	258.073671	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-2H+NH4"	16.019271
"43320"	505.083466	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M-2H+Na"	20.974666
"480693"	747.137866	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M-2H+Na"	20.974666
"852664"	263.029066	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-2H+Na"	20.974666
"1622563"	263.029066	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Na-2H"	20.974666
"99089"	259.035463	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M-H+Cl"	33.962126
"536465"	380.062663	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M-H+Cl"	33.962126
"937637"	138.008263	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-H+Cl"	33.962126
"278383"	519.078202	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+Cl"	34.969402
"667527"	761.132602	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+Cl"	34.969402
"1282113"	277.023802	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Cl"	34.969402
"25763"	521.057406	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M-2H+K"	36.948606
"459855"	763.111806	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M-2H+K"	36.948606
"844217"	279.003006	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-2H+K"	36.948606
"1567706"	279.003006	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+K-2H"	36.948606
"956683"	287.052594	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-H+HCOOH"	44.998194
"376851"	529.107001	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+HCOOH-H"	44.998201
"356593"	543.122651	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+Hac-H"	59.013851
"1502145"	301.068251	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Hac-H"	59.013851
"972968"	309.034551	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-H+NaCOOH"	66.980151
"120781"	277.023802	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+2Cl"	69.938804
"559247"	398.051002	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+2Cl"	69.938804
"1029141"	155.996602	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2Cl"	69.938804
"1251998"	320.973285	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Br"	78.918885
"1307888"	323.029272	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Cl+HCOOH"	80.974872
"1320356"	345.011229	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Cl+NaCOOH"	102.956829
"912436"	355.039986	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M-H+CF3COOH"	112.985586
"1301544"	391.016664	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Cl+CF3COOH"	148.962264
"1374601"	207.041724	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H-2H2O"	-35.012676
"1389911"	225.0517	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H-H2O"	-17.0027
"288504"	485.116076	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+H"	1.007276
"682018"	727.170476	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+H"	1.007276
"1357273"	243.061676	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H"	1.007276
"129431"	243.061676	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+2H"	2.014552
"568264"	364.088876	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+2H"	2.014552
"1046181"	122.034476	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2H"	2.014552
"214084"	162.376876	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+3H"	3.021828
"658627"	243.061676	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+3H"	3.021828
"1167396"	81.692076	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+3H"	3.021828
"430668"	502.142623	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+NH4"	18.033823
"789477"	744.197023	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+NH4"	18.033823
"1685811"	260.088223	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+NH4"	18.033823
"332997"	251.5749495	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+H+NH4"	19.041099
"725421"	372.6021495	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+H+NH4"	19.041099
"1477654"	130.5477495	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H+NH4"	19.041099
"393093"	507.098018	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+Na"	22.989218
"755993"	749.152418	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+Na"	22.989218
"1603239"	265.043618	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Na"	22.989218
"314978"	254.052647	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+H+Na"	23.996494
"711653"	375.079847	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+H+Na"	23.996494
"1461311"	133.025447	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H+Na"	23.996494
"1052796"	89.01939	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2H+Na"	25.00377
"1257183"	275.087886	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+CH3OH+H"	33.033486
"377262"	523.071958	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+K"	38.963158
"738536"	765.126358	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+K"	38.963158
"1541053"	281.017558	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+K"	38.963158
"300660"	262.039617	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+H+K"	39.970434
"693080"	383.066817	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+H+K"	39.970434
"1447996"	141.012417	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H+K"	39.970434
"237698"	526.142626	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+ACN+H"	42.033826
"1211862"	284.088226	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+ACN+H"	42.033826
"1197208"	142.547751	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+ACN+2H"	43.041102
"191900"	529.07996	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+2Na-H"	44.97116
"630244"	771.13436	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+2Na-H"	44.97116
"1132899"	287.02556	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2Na-H"	44.97116
"173513"	265.043618	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+2Na"	45.978436
"613320"	386.070818	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+2Na"	45.978436
"1116827"	144.016418	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2Na"	45.978436
"1398608"	96.346704	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H+2Na"	46.985712
"1429938"	289.067146	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H+HCOOH"	47.012746
"220337"	270.07664	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+3H2O+2H"	56.04448
"1509260"	303.11919	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+IsoProp+H"	61.06479
"408567"	273.030588	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+Na+K"	61.952376
"770904"	394.057788	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+Na+K"	61.952376
"1674300"	152.003388	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Na+K"	61.952376
"262279"	548.124568	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+ACN+Na"	64.015768
"1236811"	306.070168	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+ACN+Na"	64.015768
"1727038"	306.093693	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+NH4+HCOOH"	64.039293
"1189228"	103.674018	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+3Na"	68.967654
"1663496"	311.049088	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Na+HCOOH"	68.994688
"169627"	561.02784	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+2K-H"	76.91904
"611374"	803.08224	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+2K-H"	76.91904
"1094066"	318.97344	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2K-H"	76.91904
"151977"	281.017558	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"2M+2K"	77.926316
"594817"	402.044758	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"3M+2K"	77.926316
"1083422"	159.990358	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2K"	77.926316
"1115215"	320.987992	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2K+H"	78.933592
"1347831"	321.075607	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+DMSO+H"	79.021207
"1019642"	325.114776	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2ACN+H"	83.060376
"1535582"	326.108408	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+IsoProp+Na+H"	84.054008
"1000936"	163.061026	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+2ACN+2H"	84.067652
"1597627"	327.023028	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+K+HCOOH"	84.968628
"1425474"	357.054538	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+H+CF3COOH"	115.000138
"1157951"	183.574301	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+3ACN+2H"	125.094202
"1710782"	374.081085	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+NH4+CF3COOH"	132.026685
"1646435"	379.03648	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+Na+CF3COOH"	136.98208
"1584272"	395.01042	"C06855"	"Bretylium"	"C11H17BrN"	"242.0544"	"M+K+CF3COOH"	152.95602
"815735"	653.2213	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M"	0
"988180"	634.20291	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-H2O-H"	-19.01839
"72045"	434.473590666667	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M-3H"	-3.021828
"514887"	652.214024	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M-3H"	-3.021828
"885038"	216.733157333333	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-3H"	-3.021828
"10173"	652.214024	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M-2H"	-2.014552
"444265"	978.824674	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M-2H"	-2.014552
"826438"	325.603374	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-2H"	-2.014552
"90439"	1305.435324	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M-H"	-1.007276
"528179"	1958.656624	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M-H"	-1.007276
"909998"	652.214024	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-H"	-1.007276
"61449"	1322.461871	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M-2H+NH4"	16.019271
"495544"	1975.683171	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M-2H+NH4"	16.019271
"872252"	669.240571	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-2H+NH4"	16.019271
"39059"	1327.417266	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M-2H+Na"	20.974666
"476434"	1980.638566	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M-2H+Na"	20.974666
"860795"	674.195966	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-2H+Na"	20.974666
"1628141"	674.195966	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Na-2H"	20.974666
"104669"	670.202363	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M-H+Cl"	33.962126
"540950"	996.813013	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M-H+Cl"	33.962126
"935563"	343.591713	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-H+Cl"	33.962126
"275216"	1341.412002	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+Cl"	34.969402
"669824"	1994.633302	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+Cl"	34.969402
"1283318"	688.190702	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Cl"	34.969402
"29155"	1343.391206	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M-2H+K"	36.948606
"468714"	1996.612506	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M-2H+K"	36.948606
"846879"	690.169906	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-2H+K"	36.948606
"1567816"	690.169906	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+K-2H"	36.948606
"956794"	698.219494	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-H+HCOOH"	44.998194
"376798"	1351.440801	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+HCOOH-H"	44.998201
"356703"	1365.456451	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+Hac-H"	59.013851
"1502255"	712.235151	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Hac-H"	59.013851
"971984"	720.201451	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-H+NaCOOH"	66.980151
"117611"	688.190702	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+2Cl"	69.938804
"557170"	1014.801352	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+2Cl"	69.938804
"1029251"	361.580052	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2Cl"	69.938804
"1253201"	732.140185	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Br"	78.918885
"1310185"	734.196172	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Cl+HCOOH"	80.974872
"1320429"	756.178129	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Cl+NaCOOH"	102.956829
"912180"	766.206886	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M-H+CF3COOH"	112.985586
"1300925"	802.183564	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Cl+CF3COOH"	148.962264
"1377994"	618.208624	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H-2H2O"	-35.012676
"1386377"	636.2186	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H-H2O"	-17.0027
"286429"	1307.449876	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+H"	1.007276
"679943"	1960.671176	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+H"	1.007276
"1356293"	654.228576	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H"	1.007276
"127357"	654.228576	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+2H"	2.014552
"569833"	980.839226	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+2H"	2.014552
"1040823"	327.617926	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2H"	2.014552
"212007"	436.488142666667	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+3H"	3.021828
"652296"	654.228576	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+3H"	3.021828
"1169694"	218.747709333333	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+3H"	3.021828
"431872"	1324.476423	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+NH4"	18.033823
"791776"	1977.697723	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+NH4"	18.033823
"1684096"	671.255123	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+NH4"	18.033823
"335292"	662.7418495	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+H+NH4"	19.041099
"723706"	989.3524995	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+H+NH4"	19.041099
"1477521"	336.1311995	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H+NH4"	19.041099
"394381"	1329.431818	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+Na"	22.989218
"759019"	1982.653118	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+Na"	22.989218
"1608211"	676.210518	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Na"	22.989218
"317520"	665.219547	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+H+Na"	23.996494
"708847"	991.830197	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+H+Na"	23.996494
"1462180"	338.608897	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H+Na"	23.996494
"1053072"	226.075023333333	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2H+Na"	25.00377
"1257504"	686.254786	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+CH3OH+H"	33.033486
"377615"	1345.405758	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+K"	38.963158
"738732"	1998.627058	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+K"	38.963158
"1542501"	692.184458	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+K"	38.963158
"298635"	673.206517	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+H+K"	39.970434
"691472"	999.817167	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+H+K"	39.970434
"1445752"	346.595867	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H+K"	39.970434
"238537"	1348.476426	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+ACN+H"	42.033826
"1210880"	695.255126	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+ACN+H"	42.033826
"1199869"	348.131201	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+ACN+2H"	43.041102
"191645"	1351.41376	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+2Na-H"	44.97116
"631208"	2004.63506	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+2Na-H"	44.97116
"1133985"	698.19246	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2Na-H"	44.97116
"173540"	676.210518	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+2Na"	45.978436
"613795"	1002.821168	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+2Na"	45.978436
"1116210"	349.599868	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2Na"	45.978436
"1399369"	233.402337333333	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H+2Na"	46.985712
"1430226"	700.234046	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H+HCOOH"	47.012746
"220446"	681.24354	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+3H2O+2H"	56.04448
"1509370"	714.28609	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+IsoProp+H"	61.06479
"408729"	684.197488	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+Na+K"	61.952376
"770774"	1010.808138	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+Na+K"	61.952376
"1675504"	357.586838	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Na+K"	61.952376
"262390"	1370.458368	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+ACN+Na"	64.015768
"1235099"	717.237068	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+ACN+Na"	64.015768
"1722892"	717.260593	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+NH4+HCOOH"	64.039293
"1187882"	240.729651333333	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+3Na"	68.967654
"1659961"	722.215988	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Na+HCOOH"	68.994688
"169012"	1383.36164	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+2K-H"	76.91904
"605291"	2036.58294	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+2K-H"	76.91904
"1094177"	730.14034	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2K-H"	76.91904
"150994"	692.184458	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"2M+2K"	77.926316
"592741"	1018.795108	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"3M+2K"	77.926316
"1080533"	365.573808	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2K"	77.926316
"1115448"	732.154892	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2K+H"	78.933592
"1346847"	732.242507	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+DMSO+H"	79.021207
"1018660"	736.281676	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2ACN+H"	83.060376
"1533506"	737.275308	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+IsoProp+Na+H"	84.054008
"1004328"	368.644476	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+2ACN+2H"	84.067652
"1598830"	738.189928	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+K+HCOOH"	84.968628
"1425584"	768.221438	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+H+CF3COOH"	115.000138
"1158062"	389.157751	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+3ACN+2H"	125.094202
"1709800"	785.247985	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+NH4+CF3COOH"	132.026685
"1646545"	790.20338	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+Na+CF3COOH"	136.98208
"1584382"	806.17732	"C06856"	"Bromocriptine"	"C32H40BrN5O5"	"653.2213"	"M+K+CF3COOH"	152.95602
"815845"	318.0732	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M"	0
"989263"	299.05481	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-H2O-H"	-19.01839
"75438"	211.041524	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M-3H"	-3.021828
"513906"	317.065924	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M-3H"	-3.021828
"893167"	105.017124	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-3H"	-3.021828
"10284"	317.065924	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M-2H"	-2.014552
"444377"	476.102524	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M-2H"	-2.014552
"826549"	158.029324	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-2H"	-2.014552
"85448"	635.139124	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M-H"	-1.007276
"530474"	953.212324	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M-H"	-1.007276
"902811"	317.065924	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-H"	-1.007276
"59740"	652.165671	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M-2H+NH4"	16.019271
"500878"	970.238871	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M-2H+NH4"	16.019271
"873455"	334.092471	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-2H+NH4"	16.019271
"38076"	657.121066	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M-2H+Na"	20.974666
"475448"	975.194266	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M-2H+Na"	20.974666
"855438"	339.047866	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-2H+Na"	20.974666
"1626065"	339.047866	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Na-2H"	20.974666
"103686"	335.054263	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M-H+Cl"	33.962126
"541061"	494.090863	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M-H+Cl"	33.962126
"935675"	176.017663	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-H+Cl"	33.962126
"275326"	671.115802	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+Cl"	34.969402
"669934"	989.189002	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+Cl"	34.969402
"1281245"	353.042602	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Cl"	34.969402
"28177"	673.095006	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M-2H+K"	36.948606
"467369"	991.168206	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M-2H+K"	36.948606
"844442"	355.021806	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-2H+K"	36.948606
"1565741"	355.021806	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+K-2H"	36.948606
"955811"	363.071394	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-H+HCOOH"	44.998194
"373297"	681.144601	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+HCOOH-H"	44.998201
"358275"	695.160251	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+Hac-H"	59.013851
"1503460"	377.087051	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Hac-H"	59.013851
"970273"	385.053351	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-H+NaCOOH"	66.980151
"114441"	353.042602	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+2Cl"	69.938804
"557282"	512.079202	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+2Cl"	69.938804
"1032642"	194.006002	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2Cl"	69.938804
"1246752"	396.992085	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Br"	78.918885
"1306285"	399.048072	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Cl+HCOOH"	80.974872
"1320742"	421.030029	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Cl+NaCOOH"	102.956829
"912290"	431.058786	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M-H+CF3COOH"	112.985586
"1300670"	467.035464	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Cl+CF3COOH"	148.962264
"1379198"	283.060524	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H-2H2O"	-35.012676
"1387946"	301.0705	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H-H2O"	-17.0027
"288727"	637.153676	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+H"	1.007276
"685522"	955.226876	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+H"	1.007276
"1359684"	319.080476	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H"	1.007276
"131480"	319.080476	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+2H"	2.014552
"567758"	478.117076	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+2H"	2.014552
"1040934"	160.043876	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2H"	2.014552
"214669"	213.056076	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+3H"	3.021828
"655322"	319.080476	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+3H"	3.021828
"1169804"	107.031676	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+3H"	3.021828
"430889"	654.180223	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+NH4"	18.033823
"789696"	972.253423	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+NH4"	18.033823
"1687124"	336.107023	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+NH4"	18.033823
"331754"	327.5937495	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+H+NH4"	19.041099
"726365"	486.6303495	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+H+NH4"	19.041099
"1487117"	168.5571495	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H+NH4"	19.041099
"400329"	659.135618	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+Na"	22.989218
"758033"	977.208818	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+Na"	22.989218
"1603458"	341.062418	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Na"	22.989218
"320547"	330.071447	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+H+Na"	23.996494
"707863"	489.108047	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+H+Na"	23.996494
"1461683"	171.034847	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H+Na"	23.996494
"1053583"	114.35899	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2H+Na"	25.00377
"1257408"	351.106686	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+CH3OH+H"	33.033486
"377654"	675.109558	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+K"	38.963158
"741285"	993.182758	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+K"	38.963158
"1541150"	357.036358	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+K"	38.963158
"299424"	338.058417	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+H+K"	39.970434
"692573"	497.095017	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+H+K"	39.970434
"1446756"	179.021817	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H+K"	39.970434
"240839"	678.180226	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+ACN+H"	42.033826
"1216828"	360.107026	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+ACN+H"	42.033826
"1200711"	180.557151	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+ACN+2H"	43.041102
"195771"	681.11756	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+2Na-H"	44.97116
"635330"	999.19076	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+2Na-H"	44.97116
"1132518"	363.04436	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2Na-H"	44.97116
"174473"	341.062418	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+2Na"	45.978436
"613542"	500.099018	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+2Na"	45.978436
"1116281"	182.025818	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2Na"	45.978436
"1398518"	121.686304	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H+2Na"	46.985712
"1430052"	365.085946	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H+HCOOH"	47.012746
"220361"	346.09544	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+3H2O+2H"	56.04448
"1508744"	379.13799	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+IsoProp+H"	61.06479
"410615"	349.049388	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+Na+K"	61.952376
"770520"	508.085988	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+Na+K"	61.952376
"1675615"	190.012788	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Na+K"	61.952376
"263594"	700.162168	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+ACN+Na"	64.015768
"1238128"	382.088968	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+ACN+Na"	64.015768
"1723733"	382.112493	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+NH4+HCOOH"	64.039293
"1190181"	129.013618	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+3Na"	68.967654
"1660074"	387.067888	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Na+HCOOH"	68.994688
"172282"	713.06544	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+2K-H"	76.91904
"609776"	1031.13864	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+2K-H"	76.91904
"1098787"	394.99224	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2K-H"	76.91904
"155478"	357.036358	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"2M+2K"	77.926316
"596260"	516.072958	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"3M+2K"	77.926316
"1078456"	197.999758	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2K"	77.926316
"1114704"	397.006792	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2K+H"	78.933592
"1346957"	397.094407	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+DMSO+H"	79.021207
"1020231"	401.133576	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2ACN+H"	83.060376
"1536897"	402.127208	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+IsoProp+Na+H"	84.054008
"1001160"	201.070426	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+2ACN+2H"	84.067652
"1597848"	403.041828	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+K+HCOOH"	84.968628
"1425695"	433.073338	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+H+CF3COOH"	115.000138
"1159997"	221.583701	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+3ACN+2H"	125.094202
"1709911"	450.099885	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+NH4+CF3COOH"	132.026685
"1648113"	455.05528	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+Na+CF3COOH"	136.98208
"1584492"	471.02922	"C06857"	"Brompheniramine"	"C16H19BrN2"	"318.0732"	"M+K+CF3COOH"	152.95602
"815954"	239.1077	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M"	0
"988641"	220.08931	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-H2O-H"	-19.01839
"75547"	158.397857333333	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M-3H"	-3.021828
"516201"	238.100424	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M-3H"	-3.021828
"895095"	78.6952906666667	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-3H"	-3.021828
"12946"	238.100424	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M-2H"	-2.014552
"451049"	357.654274	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M-2H"	-2.014552
"824478"	118.546574	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-2H"	-2.014552
"86654"	477.208124	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M-H"	-1.007276
"527304"	716.315824	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M-H"	-1.007276
"897454"	238.100424	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-H"	-1.007276
"61304"	494.234671	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M-2H+NH4"	16.019271
"499041"	733.342371	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M-2H+NH4"	16.019271
"865543"	255.126971	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-2H+NH4"	16.019271
"32469"	499.190066	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M-2H+Na"	20.974666
"473007"	738.297766	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M-2H+Na"	20.974666
"851538"	260.082366	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-2H+Na"	20.974666
"1623987"	260.082366	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Na-2H"	20.974666
"102702"	256.088763	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M-H+Cl"	33.962126
"538984"	375.642613	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M-H+Cl"	33.962126
"936878"	136.534913	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-H+Cl"	33.962126
"279808"	513.184802	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+Cl"	34.969402
"668950"	752.292502	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+Cl"	34.969402
"1281355"	274.077102	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Cl"	34.969402
"28651"	515.164006	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M-2H+K"	36.948606
"469666"	754.271706	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M-2H+K"	36.948606
"845645"	276.056306	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-2H+K"	36.948606
"1568403"	276.056306	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+K-2H"	36.948606
"955921"	284.105894	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-H+HCOOH"	44.998194
"373771"	523.213601	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+HCOOH-H"	44.998201
"359357"	537.229251	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+Hac-H"	59.013851
"1506122"	298.121551	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Hac-H"	59.013851
"970383"	306.087851	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-H+NaCOOH"	66.980151
"117832"	274.077102	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+2Cl"	69.938804
"559580"	393.630952	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+2Cl"	69.938804
"1030566"	154.523252	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2Cl"	69.938804
"1249050"	318.026585	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Br"	78.918885
"1307489"	320.082572	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Cl+HCOOH"	80.974872
"1320368"	342.064529	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Cl+NaCOOH"	102.956829
"912036"	352.093286	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M-H+CF3COOH"	112.985586
"1299684"	388.069964	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Cl+CF3COOH"	148.962264
"1376022"	204.095024	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H-2H2O"	-35.012676
"1391330"	222.105	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H-H2O"	-17.0027
"289922"	479.222676	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+H"	1.007276
"680159"	718.330376	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+H"	1.007276
"1364170"	240.114976	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H"	1.007276
"132683"	240.114976	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+2H"	2.014552
"570055"	359.668826	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+2H"	2.014552
"1043229"	120.561126	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2H"	2.014552
"215143"	160.412409333333	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+3H"	3.021828
"652880"	240.114976	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+3H"	3.021828
"1173925"	80.7098426666667	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+3H"	3.021828
"430999"	496.249223	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+NH4"	18.033823
"789437"	735.356923	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+NH4"	18.033823
"1690514"	257.141523	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+NH4"	18.033823
"335511"	248.6282495	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+H+NH4"	19.041099
"725746"	368.1820995	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+H+NH4"	19.041099
"1487227"	129.0743995	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H+NH4"	19.041099
"398252"	501.204618	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+Na"	22.989218
"759238"	740.312318	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+Na"	22.989218
"1605151"	262.096918	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Na"	22.989218
"318106"	251.105947	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+H+Na"	23.996494
"708947"	370.659797	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+H+Na"	23.996494
"1461790"	131.552097	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H+Na"	23.996494
"1053337"	88.0371566666667	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2H+Na"	25.00377
"1257159"	272.141186	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+CH3OH+H"	33.033486
"378941"	517.178558	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+K"	38.963158
"739572"	756.286258	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+K"	38.963158
"1541624"	278.070858	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+K"	38.963158
"299896"	259.092917	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+H+K"	39.970434
"692073"	378.646767	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+H+K"	39.970434
"1446135"	139.539067	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H+K"	39.970434
"244229"	520.249226	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+ACN+H"	42.033826
"1219125"	281.141526	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+ACN+H"	42.033826
"1201915"	141.074401	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+ACN+2H"	43.041102
"195881"	523.18656	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+2Na-H"	44.97116
"636534"	762.29426	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+2Na-H"	44.97116
"1135666"	284.07886	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2Na-H"	44.97116
"174583"	262.096918	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+2Na"	45.978436
"613774"	381.650768	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+2Na"	45.978436
"1118744"	142.543068	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2Na"	45.978436
"1398659"	95.3644706666667	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H+2Na"	46.985712
"1430614"	286.120446	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H+HCOOH"	47.012746
"222984"	267.12994	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+3H2O+2H"	56.04448
"1508816"	300.17249	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+IsoProp+H"	61.06479
"409271"	270.083888	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+Na+K"	61.952376
"770021"	389.637738	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+Na+K"	61.952376
"1672441"	150.530038	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Na+K"	61.952376
"262246"	542.231168	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+ACN+Na"	64.015768
"1240062"	303.123468	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+ACN+Na"	64.015768
"1724937"	303.146993	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+NH4+HCOOH"	64.039293
"1189198"	102.691784666667	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+3Na"	68.967654
"1660184"	308.102388	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Na+HCOOH"	68.994688
"171420"	555.13444	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+2K-H"	76.91904
"609886"	794.24214	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+2K-H"	76.91904
"1099503"	316.02674	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2K-H"	76.91904
"155588"	278.070858	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"2M+2K"	77.926316
"596127"	397.624708	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"3M+2K"	77.926316
"1084105"	158.517008	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2K"	77.926316
"1114935"	318.041292	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2K+H"	78.933592
"1348161"	318.128907	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+DMSO+H"	79.021207
"1020099"	322.168076	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2ACN+H"	83.060376
"1531539"	323.161708	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+IsoProp+Na+H"	84.054008
"1001271"	161.587676	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+2ACN+2H"	84.067652
"1599054"	324.076328	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+K+HCOOH"	84.968628
"1426900"	354.107838	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+H+CF3COOH"	115.000138
"1159376"	182.100951	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+3ACN+2H"	125.094202
"1707831"	371.134385	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+NH4+CF3COOH"	132.026685
"1647493"	376.08978	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+Na+CF3COOH"	136.98208
"1584602"	392.06372	"C06860"	"Bupropion"	"C13H18ClNO"	"239.1077"	"M+K+CF3COOH"	152.95602
"813878"	385.2478	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M"	0
"988511"	366.22941	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-H2O-H"	-19.01839
"77843"	255.824590666667	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M-3H"	-3.021828
"517283"	384.240524	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M-3H"	-3.021828
"895371"	127.408657333333	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-3H"	-3.021828
"13422"	384.240524	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M-2H"	-2.014552
"451888"	576.864424	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M-2H"	-2.014552
"827868"	191.616624	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-2H"	-2.014552
"86764"	769.488324	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M-H"	-1.007276
"528507"	1154.736124	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M-H"	-1.007276
"897806"	384.240524	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-H"	-1.007276
"61658"	786.514871	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M-2H+NH4"	16.019271
"495872"	1171.762671	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M-2H+NH4"	16.019271
"866747"	401.267071	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-2H+NH4"	16.019271
"35018"	791.470266	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M-2H+Na"	20.974666
"474211"	1176.718066	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M-2H+Na"	20.974666
"854564"	406.222466	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-2H+Na"	20.974666
"1624097"	406.222466	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Na-2H"	20.974666
"103905"	402.228863	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M-H+Cl"	33.962126
"540187"	594.852763	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M-H+Cl"	33.962126
"933702"	209.604963	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-H+Cl"	33.962126
"279559"	805.465002	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+Cl"	34.969402
"673070"	1190.712802	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+Cl"	34.969402
"1284748"	420.217202	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Cl"	34.969402
"30221"	807.444206	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M-2H+K"	36.948606
"469412"	1192.692006	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M-2H+K"	36.948606
"846120"	422.196406	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-2H+K"	36.948606
"1569241"	422.196406	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+K-2H"	36.948606
"956759"	430.245994	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-H+HCOOH"	44.998194
"374245"	815.493801	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+HCOOH-H"	44.998201
"355942"	829.509451	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+Hac-H"	59.013851
"1505867"	444.261651	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Hac-H"	59.013851
"969035"	452.227951	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-H+NaCOOH"	66.980151
"117942"	420.217202	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+2Cl"	69.938804
"556410"	612.841102	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+2Cl"	69.938804
"1026301"	227.593302	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2Cl"	69.938804
"1251346"	464.166685	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Br"	78.918885
"1309421"	466.222672	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Cl+HCOOH"	80.974872
"1321812"	488.204629	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Cl+NaCOOH"	102.956829
"912875"	498.233386	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M-H+CF3COOH"	112.985586
"1294688"	534.210064	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Cl+CF3COOH"	148.962264
"1376131"	350.235124	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H-2H2O"	-35.012676
"1390346"	368.2451	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H-H2O"	-17.0027
"290032"	771.502876	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+H"	1.007276
"679176"	1156.750676	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+H"	1.007276
"1361000"	386.255076	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H"	1.007276
"131700"	386.255076	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+2H"	2.014552
"567614"	578.878976	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+2H"	2.014552
"1042246"	193.631176	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2H"	2.014552
"206501"	257.839142666667	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+3H"	3.021828
"654083"	386.255076	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+3H"	3.021828
"1168931"	129.423209333333	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+3H"	3.021828
"430015"	788.529423	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+NH4"	18.033823
"790276"	1173.777223	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+NH4"	18.033823
"1687344"	403.281623	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+NH4"	18.033823
"332705"	394.7683495	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+H+NH4"	19.041099
"724761"	587.3922495	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+H+NH4"	19.041099
"1480778"	202.1444495	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H+NH4"	19.041099
"395081"	793.484818	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+Na"	22.989218
"757162"	1178.732618	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+Na"	22.989218
"1603194"	408.237018	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Na"	22.989218
"314932"	397.246047	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+H+Na"	23.996494
"707719"	589.869947	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+H+Na"	23.996494
"1461904"	204.622147	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H+Na"	23.996494
"1055880"	136.750523333333	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2H+Na"	25.00377
"1259017"	418.281286	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+CH3OH+H"	33.033486
"379051"	809.458758	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+K"	38.963158
"740411"	1194.706558	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+K"	38.963158
"1542464"	424.210958	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+K"	38.963158
"299639"	405.233017	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+H+K"	39.970434
"693517"	597.856917	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+H+K"	39.970434
"1447339"	212.609117	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H+K"	39.970434
"241056"	812.529426	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+ACN+H"	42.033826
"1222514"	427.281626	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+ACN+H"	42.033826
"1204211"	214.144451	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+ACN+2H"	43.041102
"197084"	815.46676	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+2Na-H"	44.97116
"636644"	1200.71456	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+2Na-H"	44.97116
"1132859"	430.21896	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2Na-H"	44.97116
"174568"	408.237018	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+2Na"	45.978436
"615457"	600.860918	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+2Na"	45.978436
"1116908"	215.613118	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2Na"	45.978436
"1399580"	144.077837333333	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H+2Na"	46.985712
"1431332"	432.260546	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H+HCOOH"	47.012746
"222725"	413.27004	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+3H2O+2H"	56.04448
"1509695"	446.31259	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+IsoProp+H"	61.06479
"411205"	416.223988	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+Na+K"	61.952376
"771470"	608.847888	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+Na+K"	61.952376
"1668176"	223.600088	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Na+K"	61.952376
"261262"	834.511368	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+ACN+Na"	64.015768
"1240535"	449.263568	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+ACN+Na"	64.015768
"1725047"	449.287093	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+NH4+HCOOH"	64.039293
"1192587"	151.405151333333	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+3Na"	68.967654
"1663575"	454.242488	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Na+HCOOH"	68.994688
"171775"	847.41464	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+2K-H"	76.91904
"609996"	1232.66244	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+2K-H"	76.91904
"1098883"	462.16684	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2K-H"	76.91904
"155698"	424.210958	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"2M+2K"	77.926316
"596235"	616.834858	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"3M+2K"	77.926316
"1081958"	231.587058	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2K"	77.926316
"1115290"	464.181392	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2K+H"	78.933592
"1349607"	464.269007	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+DMSO+H"	79.021207
"1018996"	468.308176	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2ACN+H"	83.060376
"1526546"	469.301808	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+IsoProp+Na+H"	84.054008
"1001380"	234.657726	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+2ACN+2H"	84.067652
"1599164"	470.216428	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+K+HCOOH"	84.968628
"1427010"	500.247938	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+H+CF3COOH"	115.000138
"1159850"	255.171001	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+3ACN+2H"	125.094202
"1707941"	517.274485	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+NH4+CF3COOH"	132.026685
"1647603"	522.22988	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+Na+CF3COOH"	136.98208
"1584712"	538.20382	"C06861"	"Buspirone"	"C21H31N5O2"	"385.2478"	"M+K+CF3COOH"	152.95602
"816923"	246.0232	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M"	0
"989550"	227.00481	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-H2O-H"	-19.01839
"78118"	163.008190666667	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M-3H"	-3.021828
"514235"	245.015924	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M-3H"	-3.021828
"894954"	81.0004573333333	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-3H"	-3.021828
"15433"	245.015924	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M-2H"	-2.014552
"453093"	368.027524	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M-2H"	-2.014552
"829070"	122.004324	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-2H"	-2.014552
"90154"	491.039124	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M-H"	-1.007276
"531897"	737.062324	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M-H"	-1.007276
"909701"	245.015924	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-H"	-1.007276
"62132"	508.065671	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M-2H+NH4"	16.019271
"502262"	754.088871	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M-2H+NH4"	16.019271
"867222"	262.042471	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-2H+NH4"	16.019271
"39501"	513.021066	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M-2H+Na"	20.974666
"473708"	759.044266	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M-2H+Na"	20.974666
"855768"	266.997866	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-2H+Na"	20.974666
"1625301"	266.997866	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Na-2H"	20.974666
"102925"	263.004263	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M-H+Cl"	33.962126
"546861"	386.015863	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M-H+Cl"	33.962126
"938190"	139.992663	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-H+Cl"	33.962126
"280033"	527.015802	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+Cl"	34.969402
"672457"	773.039002	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+Cl"	34.969402
"1284855"	280.992602	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Cl"	34.969402
"29967"	528.995006	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M-2H+K"	36.948606
"471064"	775.018206	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M-2H+K"	36.948606
"844771"	282.971806	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-2H+K"	36.948606
"1566800"	282.971806	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+K-2H"	36.948606
"955777"	291.021394	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-H+HCOOH"	44.998194
"376998"	537.044601	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+HCOOH-H"	44.998201
"359577"	551.060251	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+Hac-H"	59.013851
"1501605"	305.037051	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Hac-H"	59.013851
"965864"	313.003351	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-H+NaCOOH"	66.980151
"116960"	280.992602	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+2Cl"	69.938804
"556518"	404.004202	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+2Cl"	69.938804
"1027504"	157.981002	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2Cl"	69.938804
"1244896"	324.942085	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Br"	78.918885
"1305888"	326.998072	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Cl+HCOOH"	80.974872
"1321562"	348.980029	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Cl+NaCOOH"	102.956829
"919184"	359.008786	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M-H+CF3COOH"	112.985586
"1302460"	394.985464	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Cl+CF3COOH"	148.962264
"1377336"	211.010524	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H-2H2O"	-35.012676
"1390457"	229.0205	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H-H2O"	-17.0027
"290143"	493.053676	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+H"	1.007276
"679286"	739.076876	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+H"	1.007276
"1356735"	247.030476	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H"	1.007276
"131810"	247.030476	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+2H"	2.014552
"570275"	370.042076	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+2H"	2.014552
"1041263"	124.018876	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2H"	2.014552
"208433"	165.022742666667	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+3H"	3.021828
"650913"	247.030476	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+3H"	3.021828
"1166854"	83.0150093333333	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+3H"	3.021828
"427938"	510.080223	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+NH4"	18.033823
"790385"	756.103423	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+NH4"	18.033823
"1686361"	264.057023	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+NH4"	18.033823
"333909"	255.5437495	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+H+NH4"	19.041099
"723777"	378.5553495	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+H+NH4"	19.041099
"1480887"	132.5321495	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H+NH4"	19.041099
"398471"	515.035618	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+Na"	22.989218
"755202"	761.058818	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+Na"	22.989218
"1603302"	269.012418	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Na"	22.989218
"314552"	258.021447	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+H+Na"	23.996494
"707705"	381.033047	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+H+Na"	23.996494
"1461433"	135.009847	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H+Na"	23.996494
"1056720"	90.3423233333333	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2H+Na"	25.00377
"1258763"	279.056686	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+CH3OH+H"	33.033486
"378797"	531.009558	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+K"	38.963158
"739670"	777.032758	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+K"	38.963158
"1541237"	284.986358	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+K"	38.963158
"298899"	266.008417	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+H+K"	39.970434
"691926"	389.020017	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+H+K"	39.970434
"1446355"	142.996817	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H+K"	39.970434
"244446"	534.080226	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+ACN+H"	42.033826
"1224205"	288.057026	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+ACN+H"	42.033826
"1205415"	144.532151	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+ACN+2H"	43.041102
"198287"	537.01756	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+2Na-H"	44.97116
"637847"	783.04076	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+2Na-H"	44.97116
"1133090"	290.99436	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2Na-H"	44.97116
"174191"	269.012418	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+2Na"	45.978436
"614113"	392.024018	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+2Na"	45.978436
"1120056"	146.000818	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2Na"	45.978436
"1402485"	97.6696373333333	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H+2Na"	46.985712
"1430829"	293.035946	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H+HCOOH"	47.012746
"221498"	274.04544	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+3H2O+2H"	56.04448
"1512358"	307.08799	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+IsoProp+H"	61.06479
"412044"	276.999388	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+Na+K"	61.952376
"771095"	400.010988	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+Na+K"	61.952376
"1669379"	153.987788	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Na+K"	61.952376
"262463"	556.062168	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+ACN+Na"	64.015768
"1240768"	310.038968	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+ACN+Na"	64.015768
"1726250"	310.062493	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+NH4+HCOOH"	64.039293
"1190511"	104.996951333333	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+3Na"	68.967654
"1663685"	315.017888	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Na+HCOOH"	68.994688
"171887"	568.96544	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+2K-H"	76.91904
"611929"	814.98864	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+2K-H"	76.91904
"1095711"	322.94224	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2K-H"	76.91904
"155693"	284.986358	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"2M+2K"	77.926316
"596341"	407.997958	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"3M+2K"	77.926316
"1083651"	161.974758	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2K"	77.926316
"1113340"	324.956792	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2K+H"	78.933592
"1350697"	325.044407	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+DMSO+H"	79.021207
"1020074"	329.083576	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2ACN+H"	83.060376
"1538319"	330.077208	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+IsoProp+Na+H"	84.054008
"1002580"	165.045426	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+2ACN+2H"	84.067652
"1595992"	330.991828	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+K+HCOOH"	84.968628
"1427119"	361.023338	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+H+CF3COOH"	115.000138
"1155223"	185.558701	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+3ACN+2H"	125.094202
"1705867"	378.049885	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+NH4+CF3COOH"	132.026685
"1646984"	383.00528	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+Na+CF3COOH"	136.98208
"1584822"	398.97922	"C06862"	"Busulfan"	"C6H14O6S2"	"246.0232"	"M+K+CF3COOH"	152.95602
"817006"	327.2198	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M"	0
"989767"	308.20141	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-H2O-H"	-19.01839
"78279"	217.139257333333	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M-3H"	-3.021828
"517627"	326.212524	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M-3H"	-3.021828
"895421"	108.065990666667	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-3H"	-3.021828
"15543"	326.212524	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M-2H"	-2.014552
"450288"	489.822424	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M-2H"	-2.014552
"829912"	162.602624	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-2H"	-2.014552
"91725"	653.432324	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M-H"	-1.007276
"532009"	980.652124	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M-H"	-1.007276
"909454"	326.212524	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-H"	-1.007276
"61279"	670.458871	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M-2H+NH4"	16.019271
"496094"	997.678671	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M-2H+NH4"	16.019271
"878998"	343.239071	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-2H+NH4"	16.019271
"38518"	675.414266	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M-2H+Na"	20.974666
"480263"	1002.634066	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M-2H+Na"	20.974666
"855878"	348.194466	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-2H+Na"	20.974666
"1625411"	348.194466	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Na-2H"	20.974666
"107409"	344.200863	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M-H+Cl"	33.962126
"548430"	507.810763	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M-H+Cl"	33.962126
"938300"	180.590963	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-H+Cl"	33.962126
"278685"	689.409002	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+Cl"	34.969402
"673661"	1016.628802	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+Cl"	34.969402
"1286062"	362.189202	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Cl"	34.969402
"29712"	691.388206	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M-2H+K"	36.948606
"469267"	1018.608006	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M-2H+K"	36.948606
"846706"	364.168406	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-2H+K"	36.948606
"1569827"	364.168406	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+K-2H"	36.948606
"957225"	372.217994	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-H+HCOOH"	44.998194
"375926"	699.437801	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+HCOOH-H"	44.998201
"359079"	713.453451	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+Hac-H"	59.013851
"1501715"	386.233651	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Hac-H"	59.013851
"965974"	394.199951	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-H+NaCOOH"	66.980151
"119257"	362.189202	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+2Cl"	69.938804
"555536"	525.799102	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+2Cl"	69.938804
"1025428"	198.579302	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2Cl"	69.938804
"1245008"	406.138685	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Br"	78.918885
"1316208"	408.194672	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Cl+HCOOH"	80.974872
"1334802"	430.176629	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Cl+NaCOOH"	102.956829
"924766"	440.205386	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M-H+CF3COOH"	112.985586
"1298922"	476.182064	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Cl+CF3COOH"	148.962264
"1375259"	292.207124	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H-2H2O"	-35.012676
"1394943"	310.2171	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H-H2O"	-17.0027
"294267"	655.446876	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+H"	1.007276
"687050"	982.666676	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+H"	1.007276
"1361584"	328.227076	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H"	1.007276
"131920"	328.227076	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+2H"	2.014552
"570020"	491.836976	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+2H"	2.014552
"1040279"	164.617176	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2H"	2.014552
"208543"	219.153809333333	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+3H"	3.021828
"649930"	328.227076	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+3H"	3.021828
"1166964"	110.080542666667	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+3H"	3.021828
"426955"	672.473423	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+NH4"	18.033823
"786851"	999.693223	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+NH4"	18.033823
"1686471"	345.253623	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+NH4"	18.033823
"333655"	336.7403495	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+H+NH4"	19.041099
"723887"	500.3502495	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+H+NH4"	19.041099
"1480998"	173.1304495	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H+NH4"	19.041099
"395302"	677.428818	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+Na"	22.989218
"755683"	1004.648618	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+Na"	22.989218
"1604876"	350.209018	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Na"	22.989218
"314584"	339.218047	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+H+Na"	23.996494
"707114"	502.827947	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+H+Na"	23.996494
"1461749"	175.608147	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H+Na"	23.996494
"1053914"	117.407856666667	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2H+Na"	25.00377
"1257286"	360.253286	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+CH3OH+H"	33.033486
"377448"	693.402758	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+K"	38.963158
"738645"	1020.622558	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+K"	38.963158
"1540171"	366.182958	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+K"	38.963158
"299616"	347.205017	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+H+K"	39.970434
"692280"	510.814917	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+H+K"	39.970434
"1446464"	183.595117	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H+K"	39.970434
"242370"	696.473426	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+ACN+H"	42.033826
"1219453"	369.253626	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+ACN+H"	42.033826
"1200056"	185.130451	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+ACN+2H"	43.041102
"198396"	699.41076	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+2Na-H"	44.97116
"635768"	1026.63056	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+2Na-H"	44.97116
"1133807"	372.19096	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2Na-H"	44.97116
"173446"	350.209018	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+2Na"	45.978436
"612840"	513.818918	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+2Na"	45.978436
"1116396"	186.599118	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2Na"	45.978436
"1398940"	124.735170666667	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H+2Na"	46.985712
"1430319"	374.232546	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H+HCOOH"	47.012746
"220118"	355.24204	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+3H2O+2H"	56.04448
"1510645"	388.28459	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+IsoProp+H"	61.06479
"409964"	358.195988	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+Na+K"	61.952376
"770056"	521.805888	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+Na+K"	61.952376
"1669489"	194.586088	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Na+K"	61.952376
"258196"	718.455368	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+ACN+Na"	64.015768
"1240756"	391.235568	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+ACN+Na"	64.015768
"1727089"	391.259093	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+NH4+HCOOH"	64.039293
"1189528"	132.062484666667	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+3Na"	68.967654
"1661607"	396.214488	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Na+HCOOH"	68.994688
"172319"	731.35864	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+2K-H"	76.91904
"612287"	1058.57844	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+2K-H"	76.91904
"1099101"	404.13884	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2K-H"	76.91904
"156527"	366.182958	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"2M+2K"	77.926316
"596209"	529.792858	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"3M+2K"	77.926316
"1083636"	202.573058	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2K"	77.926316
"1114664"	406.153392	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2K+H"	78.933592
"1349585"	406.241007	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+DMSO+H"	79.021207
"1019944"	410.280176	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2ACN+H"	83.060376
"1536242"	411.273808	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+IsoProp+Na+H"	84.054008
"999409"	205.643726	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+2ACN+2H"	84.067652
"1596101"	412.188428	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+K+HCOOH"	84.968628
"1427229"	442.219938	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+H+CF3COOH"	115.000138
"1157518"	226.157001	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+3ACN+2H"	125.094202
"1704884"	459.246485	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+NH4+CF3COOH"	132.026685
"1647824"	464.20188	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+Na+CF3COOH"	136.98208
"1579463"	480.17582	"C06863"	"Butorphanol"	"C21H29NO2"	"327.2198"	"M+K+CF3COOH"	152.95602
"816160"	3429.7133	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M"	0
"987744"	3410.69491	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-H2O-H"	-19.01839
"76958"	2285.46825733333	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M-3H"	-3.021828
"517862"	3428.706024	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M-3H"	-3.021828
"895180"	1142.23049066667	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-3H"	-3.021828
"12296"	3428.706024	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M-2H"	-2.014552
"452220"	5143.562674	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M-2H"	-2.014552
"830021"	1713.849374	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-2H"	-2.014552
"88189"	6858.419324	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M-H"	-1.007276
"532125"	10288.132624	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M-H"	-1.007276
"907738"	3428.706024	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-H"	-1.007276
"59923"	6875.445871	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M-2H+NH4"	16.019271
"500579"	10305.159171	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M-2H+NH4"	16.019271
"870725"	3445.732571	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-2H+NH4"	16.019271
"38628"	6880.401266	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M-2H+Na"	20.974666
"475999"	10310.114566	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M-2H+Na"	20.974666
"851614"	3450.687966	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-2H+Na"	20.974666
"1622241"	3450.687966	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Na-2H"	20.974666
"106425"	3446.694363	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M-H+Cl"	33.962126
"546356"	5161.551013	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M-H+Cl"	33.962126
"940236"	1731.837713	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-H+Cl"	33.962126
"282769"	6894.396002	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+Cl"	34.969402
"675578"	10324.109302	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+Cl"	34.969402
"1288420"	3464.682702	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Cl"	34.969402
"31229"	6896.375206	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M-2H+K"	36.948606
"470963"	10326.088506	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M-2H+K"	36.948606
"847180"	3466.661906	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-2H+K"	36.948606
"1570548"	3466.661906	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+K-2H"	36.948606
"957456"	3474.711494	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-H+HCOOH"	44.998194
"376765"	6904.424801	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+HCOOH-H"	44.998201
"358460"	6918.440451	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+Hac-H"	59.013851
"1504741"	3488.727151	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Hac-H"	59.013851
"966085"	3496.693451	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-H+NaCOOH"	66.980151
"118273"	3464.682702	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+2Cl"	69.938804
"554554"	5179.539352	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+2Cl"	69.938804
"1025538"	1749.826052	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2Cl"	69.938804
"1243660"	3508.632185	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Br"	78.918885
"1315954"	3510.688172	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Cl+HCOOH"	80.974872
"1330170"	3532.670129	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Cl+NaCOOH"	102.956829
"925604"	3542.698886	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M-H+CF3COOH"	112.985586
"1297573"	3578.675564	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Cl+CF3COOH"	148.962264
"1376462"	3394.700624	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H-2H2O"	-35.012676
"1395419"	3412.7106	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H-H2O"	-17.0027
"294013"	6860.433876	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+H"	1.007276
"687890"	10290.147176	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+H"	1.007276
"1362058"	3430.720576	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H"	1.007276
"127290"	3430.720576	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+2H"	2.014552
"570494"	5145.577226	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+2H"	2.014552
"1039661"	1715.863926	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2H"	2.014552
"206467"	2287.48280933333	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+3H"	3.021828
"648575"	3430.720576	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+3H"	3.021828
"1167075"	1144.24504266667	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+3H"	3.021828
"425972"	6877.460423	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+NH4"	18.033823
"788055"	10307.173723	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+NH4"	18.033823
"1684394"	3447.747123	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+NH4"	18.033823
"331942"	3439.2338495	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+H+NH4"	19.041099
"724364"	5154.0904995	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+H+NH4"	19.041099
"1484388"	1724.3771995	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H+NH4"	19.041099
"393467"	6882.415818	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+Na"	22.989218
"757860"	10312.129118	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+Na"	22.989218
"1604502"	3452.702518	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Na"	22.989218
"314358"	3441.711547	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+H+Na"	23.996494
"707136"	5156.568197	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+H+Na"	23.996494
"1461975"	1726.854897	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H+Na"	23.996494
"1054389"	1151.57235666667	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2H+Na"	25.00377
"1258378"	3462.746786	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+CH3OH+H"	33.033486
"379020"	6898.389758	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+K"	38.963158
"740377"	10328.103058	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+K"	38.963158
"1541700"	3468.676458	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+K"	38.963158
"299847"	3449.698517	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+H+K"	39.970434
"692754"	5164.555167	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+H+K"	39.970434
"1447304"	1734.841867	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H+K"	39.970434
"246857"	6901.460426	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+ACN+H"	42.033826
"1221751"	3471.747126	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+ACN+H"	42.033826
"1205636"	1736.377201	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+ACN+2H"	43.041102
"198508"	6904.39776	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+2Na-H"	44.97116
"633692"	10334.11106	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+2Na-H"	44.97116
"1133918"	3474.68446	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2Na-H"	44.97116
"174287"	3452.702518	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+2Na"	45.978436
"613483"	5167.559168	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+2Na"	45.978436
"1115678"	1737.845868	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2Na"	45.978436
"1399052"	1158.89967066667	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H+2Na"	46.985712
"1430386"	3476.726046	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H+HCOOH"	47.012746
"220333"	3457.73554	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+3H2O+2H"	56.04448
"1509295"	3490.77809	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+IsoProp+H"	61.06479
"409017"	3460.689488	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+Na+K"	61.952376
"770057"	5175.546138	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+Na+K"	61.952376
"1669963"	1745.832838	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Na+K"	61.952376
"256119"	6923.442368	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+ACN+Na"	64.015768
"1237944"	3493.729068	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+ACN+Na"	64.015768
"1720997"	3493.752593	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+NH4+HCOOH"	64.039293
"1192188"	1166.22698466667	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+3Na"	68.967654
"1665248"	3498.707988	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Na+HCOOH"	68.994688
"172784"	6936.34564	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+2K-H"	76.91904
"612517"	10366.05894	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+2K-H"	76.91904
"1099341"	3506.63234	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2K-H"	76.91904
"157010"	3468.676458	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"2M+2K"	77.926316
"596975"	5183.533108	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"3M+2K"	77.926316
"1084191"	1753.819808	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2K"	77.926316
"1114775"	3508.646892	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2K+H"	78.933592
"1349695"	3508.734507	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+DMSO+H"	79.021207
"1020540"	3512.773676	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2ACN+H"	83.060376
"1531978"	3513.767308	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+IsoProp+Na+H"	84.054008
"1005595"	1756.890476	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+2ACN+2H"	84.067652
"1600585"	3514.681928	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+K+HCOOH"	84.968628
"1428069"	3544.713438	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+H+CF3COOH"	115.000138
"1159815"	1777.403751	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+3ACN+2H"	125.094202
"1709368"	3561.739985	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+NH4+CF3COOH"	132.026685
"1649027"	3566.69538	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+Na+CF3COOH"	136.98208
"1579573"	3582.66932	"C06865"	"Calcitonin;Cibacalcin"	"C145H240N44O48S2"	"3429.7133"	"M+K+CF3COOH"	152.95602
"816505"	305.1991	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M"	0
"985667"	286.18071	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-H2O-H"	-19.01839
"75001"	202.458790666667	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M-3H"	-3.021828
"517601"	304.191824	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M-3H"	-3.021828
"889084"	100.725757333333	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-3H"	-3.021828
"10938"	304.191824	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M-2H"	-2.014552
"452687"	456.791374	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M-2H"	-2.014552
"830495"	151.592274	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-2H"	-2.014552
"90854"	609.390924	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M-H"	-1.007276
"529685"	914.590024	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M-H"	-1.007276
"906755"	304.191824	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-H"	-1.007276
"58576"	626.417471	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M-2H+NH4"	16.019271
"498137"	931.616571	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M-2H+NH4"	16.019271
"867555"	321.218371	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-2H+NH4"	16.019271
"35458"	631.372866	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M-2H+Na"	20.974666
"472829"	936.571966	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M-2H+Na"	20.974666
"850631"	326.173766	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-2H+Na"	20.974666
"1624538"	326.173766	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Na-2H"	20.974666
"105442"	322.180163	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M-H+Cl"	33.962126
"546831"	474.779713	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M-H+Cl"	33.962126
"939981"	169.580613	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-H+Cl"	33.962126
"281947"	645.367602	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+Cl"	34.969402
"674377"	950.566702	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+Cl"	34.969402
"1288159"	340.168502	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Cl"	34.969402
"30664"	647.346806	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M-2H+K"	36.948606
"469859"	952.545906	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M-2H+K"	36.948606
"846562"	342.147706	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-2H+K"	36.948606
"1568959"	342.147706	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+K-2H"	36.948606
"956716"	350.197294	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-H+HCOOH"	44.998194
"375417"	655.396401	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+HCOOH-H"	44.998201
"358936"	669.412051	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+Hac-H"	59.013851
"1503029"	364.212951	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Hac-H"	59.013851
"971663"	372.179251	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-H+NaCOOH"	66.980151
"119476"	340.168502	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+2Cl"	69.938804
"556850"	492.768052	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+2Cl"	69.938804
"1027836"	187.568952	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2Cl"	69.938804
"1245228"	384.117985	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Br"	78.918885
"1316428"	386.173972	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Cl+HCOOH"	80.974872
"1330644"	408.155929	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Cl+NaCOOH"	102.956829
"923894"	418.184686	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M-H+CF3COOH"	112.985586
"1298411"	454.161364	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Cl+CF3COOH"	148.962264
"1376572"	270.186424	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H-2H2O"	-35.012676
"1392977"	288.1964	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H-H2O"	-17.0027
"294488"	611.405476	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+H"	1.007276
"686177"	916.604576	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+H"	1.007276
"1361804"	306.206376	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H"	1.007276
"127642"	306.206376	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+2H"	2.014552
"570604"	458.805926	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+2H"	2.014552
"1038677"	153.606826	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2H"	2.014552
"208399"	204.473342666667	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+3H"	3.021828
"647592"	306.206376	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+3H"	3.021828
"1163901"	102.740309333333	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+3H"	3.021828
"427175"	628.432023	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+NH4"	18.033823
"788164"	933.631123	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+NH4"	18.033823
"1685597"	323.232923	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+NH4"	18.033823
"331323"	314.7196495	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+H+NH4"	19.041099
"726297"	467.3191995	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+H+NH4"	19.041099
"1484498"	162.1200995	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H+NH4"	19.041099
"395521"	633.387418	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+Na"	22.989218
"756026"	938.586518	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+Na"	22.989218
"1607892"	328.188318	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Na"	22.989218
"315740"	317.197347	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+H+Na"	23.996494
"707796"	469.796897	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+H+Na"	23.996494
"1461482"	164.597797	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H+Na"	23.996494
"1054258"	110.067623333333	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2H+Na"	25.00377
"1258367"	338.232586	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+CH3OH+H"	33.033486
"378397"	649.361358	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+K"	38.963158
"739881"	954.560458	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+K"	38.963158
"1541445"	344.162258	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+K"	38.963158
"300077"	325.184317	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+H+K"	39.970434
"692499"	477.783867	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+H+K"	39.970434
"1448508"	172.584767	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H+K"	39.970434
"244780"	652.432026	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+ACN+H"	42.033826
"1221861"	347.232926	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+ACN+H"	42.033826
"1203559"	174.120101	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+ACN+2H"	43.041102
"197524"	655.36936	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+2Na-H"	44.97116
"633803"	960.56846	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+2Na-H"	44.97116
"1136215"	350.17026	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2Na-H"	44.97116
"176226"	328.188318	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+2Na"	45.978436
"613394"	480.787868	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+2Na"	45.978436
"1116170"	175.588768	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2Na"	45.978436
"1398753"	117.394937333333	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H+2Na"	46.985712
"1430418"	352.211846	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H+HCOOH"	47.012746
"221083"	333.22134	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+3H2O+2H"	56.04448
"1510133"	366.26389	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+IsoProp+H"	61.06479
"409205"	336.175288	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+Na+K"	61.952376
"770561"	488.774838	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+Na+K"	61.952376
"1668250"	183.575738	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Na+K"	61.952376
"254768"	674.413968	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+ACN+Na"	64.015768
"1237688"	369.214868	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+ACN+Na"	64.015768
"1718918"	369.238393	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+NH4+HCOOH"	64.039293
"1189743"	124.722251333333	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+3Na"	68.967654
"1656353"	374.193788	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Na+HCOOH"	68.994688
"167590"	687.31724	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+2K-H"	76.91904
"608247"	992.51634	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+2K-H"	76.91904
"1097132"	382.11814	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2K-H"	76.91904
"154680"	344.162258	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"2M+2K"	77.926316
"596676"	496.761808	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"3M+2K"	77.926316
"1083618"	191.562708	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2K"	77.926316
"1114880"	384.132692	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2K+H"	78.933592
"1350781"	384.220307	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+DMSO+H"	79.021207
"1019677"	388.259476	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2ACN+H"	83.060376
"1529901"	389.253108	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+IsoProp+Na+H"	84.054008
"1000723"	194.633376	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+2ACN+2H"	84.067652
"1599601"	390.167728	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+K+HCOOH"	84.968628
"1427448"	420.199238	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+H+CF3COOH"	115.000138
"1155551"	215.146651	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+3ACN+2H"	125.094202
"1708384"	437.225785	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+NH4+CF3COOH"	132.026685
"1647314"	442.18118	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+Na+CF3COOH"	136.98208
"1578590"	458.15512	"C06866"	"Capsaicin"	"C18H27NO3"	"305.1991"	"M+K+CF3COOH"	152.95602
"816883"	236.095	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M"	0
"987964"	217.07661	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-H2O-H"	-19.01839
"77299"	156.389390666667	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M-3H"	-3.021828
"517921"	235.087724	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M-3H"	-3.021828
"895158"	77.6910573333333	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-3H"	-3.021828
"12142"	235.087724	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M-2H"	-2.014552
"455189"	353.135224	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M-2H"	-2.014552
"830967"	117.040224	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-2H"	-2.014552
"92660"	471.182724	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M-H"	-1.007276
"530888"	707.277724	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M-H"	-1.007276
"909052"	235.087724	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-H"	-1.007276
"59417"	488.209271	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M-2H+NH4"	16.019271
"496426"	724.304271	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M-2H+NH4"	16.019271
"874227"	252.114271	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-2H+NH4"	16.019271
"42127"	493.164666	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M-2H+Na"	20.974666
"472939"	729.259666	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M-2H+Na"	20.974666
"856209"	257.069666	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-2H+Na"	20.974666
"1623555"	257.069666	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Na-2H"	20.974666
"105552"	253.076063	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M-H+Cl"	33.962126
"547305"	371.123563	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M-H+Cl"	33.962126
"941554"	135.028563	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-H+Cl"	33.962126
"282301"	507.159402	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+Cl"	34.969402
"675385"	743.254402	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+Cl"	34.969402
"1287747"	271.064402	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Cl"	34.969402
"31232"	509.138606	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M-2H+K"	36.948606
"471069"	745.233606	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M-2H+K"	36.948606
"847734"	273.043606	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-2H+K"	36.948606
"1570770"	273.043606	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+K-2H"	36.948606
"957313"	281.093194	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-H+HCOOH"	44.998194
"376254"	517.188201	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+HCOOH-H"	44.998201
"359411"	531.203851	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+Hac-H"	59.013851
"1505328"	295.108851	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Hac-H"	59.013851
"970678"	303.075151	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-H+NaCOOH"	66.980151
"119586"	271.064402	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+2Cl"	69.938804
"556959"	389.111902	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+2Cl"	69.938804
"1026853"	153.016902	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2Cl"	69.938804
"1248617"	315.013885	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Br"	78.918885
"1318001"	317.069872	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Cl+HCOOH"	80.974872
"1332216"	339.051829	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Cl+NaCOOH"	102.956829
"922181"	349.080586	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M-H+CF3COOH"	112.985586
"1297427"	385.057264	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Cl+CF3COOH"	148.962264
"1373402"	201.082324	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H-2H2O"	-35.012676
"1393088"	219.0923	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H-H2O"	-17.0027
"294601"	473.197276	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+H"	1.007276
"684833"	709.292276	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+H"	1.007276
"1363739"	237.102276	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H"	1.007276
"131886"	237.102276	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+2H"	2.014552
"571811"	355.149776	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+2H"	2.014552
"1039880"	119.054776	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2H"	2.014552
"209601"	158.403942666667	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+3H"	3.021828
"647702"	237.102276	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+3H"	3.021828
"1166199"	79.7056093333333	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+3H"	3.021828
"428378"	490.223823	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+NH4"	18.033823
"787909"	726.318823	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+NH4"	18.033823
"1690082"	254.128823	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+NH4"	18.033823
"333986"	245.6155495	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+H+NH4"	19.041099
"726407"	363.6630495	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+H+NH4"	19.041099
"1485702"	127.5680495	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H+NH4"	19.041099
"401100"	495.179218	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+Na"	22.989218
"756625"	731.274218	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+Na"	22.989218
"1605816"	259.084218	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Na"	22.989218
"318040"	248.093247	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+H+Na"	23.996494
"710095"	366.140747	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+H+Na"	23.996494
"1462084"	130.045747	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H+Na"	23.996494
"1053760"	87.0329233333333	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2H+Na"	25.00377
"1257749"	269.128486	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+CH3OH+H"	33.033486
"377497"	511.153158	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+K"	38.963158
"739140"	747.248158	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+K"	38.963158
"1541066"	275.058158	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+K"	38.963158
"299578"	256.080217	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+H+K"	39.970434
"692247"	374.127717	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+H+K"	39.970434
"1446433"	138.032717	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H+K"	39.970434
"244890"	514.223826	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+ACN+H"	42.033826
"1221973"	278.128826	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+ACN+H"	42.033826
"1205857"	139.568051	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+ACN+2H"	43.041102
"198727"	517.16116	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+2Na-H"	44.97116
"639382"	753.25616	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+2Na-H"	44.97116
"1136326"	281.06616	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2Na-H"	44.97116
"175608"	259.084218	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+2Na"	45.978436
"616989"	377.131718	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+2Na"	45.978436
"1117580"	141.036718	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2Na"	45.978436
"1404020"	94.3602373333333	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H+2Na"	46.985712
"1430334"	283.107746	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H+HCOOH"	47.012746
"220235"	264.11724	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+3H2O+2H"	56.04448
"1510612"	297.15979	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+IsoProp+H"	61.06479
"410299"	267.071188	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+Na+K"	61.952376
"771291"	385.118688	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+Na+K"	61.952376
"1666903"	149.023688	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Na+K"	61.952376
"255245"	536.205768	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+ACN+Na"	64.015768
"1237798"	300.110768	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+ACN+Na"	64.015768
"1722310"	300.134293	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+NH4+HCOOH"	64.039293
"1184385"	101.687551333333	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+3Na"	68.967654
"1655370"	305.089688	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Na+HCOOH"	68.994688
"165512"	549.10904	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+2K-H"	76.91904
"610547"	785.20404	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+2K-H"	76.91904
"1096150"	313.01404	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2K-H"	76.91904
"152967"	275.058158	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"2M+2K"	77.926316
"594594"	393.105658	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"3M+2K"	77.926316
"1083236"	157.010658	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2K"	77.926316
"1113286"	315.028592	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2K+H"	78.933592
"1349793"	315.116207	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+DMSO+H"	79.021207
"1018446"	319.155376	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2ACN+H"	83.060376
"1530012"	320.149008	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+IsoProp+Na+H"	84.054008
"1005089"	160.081326	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+2ACN+2H"	84.067652
"1597524"	321.063628	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+K+HCOOH"	84.968628
"1426466"	351.095138	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+H+CF3COOH"	115.000138
"1152381"	180.594601	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+3ACN+2H"	125.094202
"1706306"	368.121685	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+NH4+CF3COOH"	132.026685
"1648517"	373.07708	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+Na+CF3COOH"	136.98208
"1578700"	389.05102	"C06868"	"Carbamazepine"	"C15H12N2O"	"236.095"	"M+K+CF3COOH"	152.95602
"816685"	378.0886	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M"	0
"985887"	359.07021	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-H2O-H"	-19.01839
"74128"	251.051790666667	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M-3H"	-3.021828
"518063"	377.081324	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M-3H"	-3.021828
"886024"	125.022257333333	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-3H"	-3.021828
"7879"	377.081324	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M-2H"	-2.014552
"450720"	566.125624	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M-2H"	-2.014552
"830711"	188.037024	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-2H"	-2.014552
"90707"	755.169924	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M-H"	-1.007276
"532452"	1133.258524	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M-H"	-1.007276
"907706"	377.081324	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-H"	-1.007276
"56976"	772.196471	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M-2H+NH4"	16.019271
"497629"	1150.285071	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M-2H+NH4"	16.019271
"871056"	394.107871	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-2H+NH4"	16.019271
"41144"	777.151866	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M-2H+Na"	20.974666
"478517"	1155.240466	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M-2H+Na"	20.974666
"853039"	399.063266	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-2H+Na"	20.974666
"1620505"	399.063266	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Na-2H"	20.974666
"106756"	395.069663	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M-H+Cl"	33.962126
"548142"	584.113963	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M-H+Cl"	33.962126
"942039"	206.025363	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-H+Cl"	33.962126
"282253"	791.146602	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+Cl"	34.969402
"674598"	1169.235202	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+Cl"	34.969402
"1287613"	413.058002	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Cl"	34.969402
"29806"	793.125806	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M-2H+K"	36.948606
"471060"	1171.214406	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M-2H+K"	36.948606
"848207"	415.037206	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-2H+K"	36.948606
"1571226"	415.037206	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+K-2H"	36.948606
"958399"	423.086794	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-H+HCOOH"	44.998194
"375880"	801.175401	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+HCOOH-H"	44.998201
"360493"	815.191051	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+Hac-H"	59.013851
"1505802"	437.102451	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Hac-H"	59.013851
"970788"	445.068751	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-H+NaCOOH"	66.980151
"124069"	413.058002	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+2Cl"	69.938804
"560351"	602.102302	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+2Cl"	69.938804
"1031340"	224.013702	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2Cl"	69.938804
"1251286"	457.007485	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Br"	78.918885
"1319206"	459.063472	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Cl+HCOOH"	80.974872
"1333786"	481.045429	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Cl+NaCOOH"	102.956829
"923019"	491.074186	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M-H+CF3COOH"	112.985586
"1295353"	527.050864	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Cl+CF3COOH"	148.962264
"1376430"	343.075924	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H-2H2O"	-35.012676
"1392103"	361.0859	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H-H2O"	-17.0027
"295440"	757.184476	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+H"	1.007276
"686766"	1135.273076	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+H"	1.007276
"1364213"	379.095876	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H"	1.007276
"131267"	379.095876	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+2H"	2.014552
"570828"	568.140176	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+2H"	2.014552
"1041814"	190.051576	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2H"	2.014552
"206798"	253.066342666667	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+3H"	3.021828
"645629"	379.095876	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+3H"	3.021828
"1166309"	127.036809333333	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+3H"	3.021828
"428488"	774.211023	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+NH4"	18.033823
"786563"	1152.299623	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+NH4"	18.033823
"1683631"	396.122423	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+NH4"	18.033823
"334096"	387.6091495	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+H+NH4"	19.041099
"726517"	576.6534495	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+H+NH4"	19.041099
"1484719"	198.5648495	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H+NH4"	19.041099
"402303"	779.166418	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+Na"	22.989218
"755398"	1157.255018	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+Na"	22.989218
"1604346"	401.077818	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Na"	22.989218
"318150"	390.086847	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+H+Na"	23.996494
"710205"	579.131147	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+H+Na"	23.996494
"1462196"	201.042547	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H+Na"	23.996494
"1053503"	134.364123333333	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2H+Na"	25.00377
"1258951"	411.122086	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+CH3OH+H"	33.033486
"377566"	795.140358	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+K"	38.963158
"739367"	1173.228958	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+K"	38.963158
"1540446"	417.051758	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+K"	38.963158
"299322"	398.073817	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+H+K"	39.970434
"691704"	587.118117	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+H+K"	39.970434
"1446177"	209.029517	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H+K"	39.970434
"242813"	798.211026	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+ACN+H"	42.033826
"1221718"	420.122426	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+ACN+H"	42.033826
"1203780"	210.564851	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+ACN+2H"	43.041102
"197744"	801.14836	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+2Na-H"	44.97116
"638398"	1179.23696	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+2Na-H"	44.97116
"1135343"	423.05976	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2Na-H"	44.97116
"175718"	401.077818	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+2Na"	45.978436
"616006"	590.122118	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+2Na"	45.978436
"1118175"	212.033518	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2Na"	45.978436
"1403037"	141.691437333333	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H+2Na"	46.985712
"1429913"	425.101346	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H+HCOOH"	47.012746
"220469"	406.11084	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+3H2O+2H"	56.04448
"1511086"	439.15339	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+IsoProp+H"	61.06479
"408586"	409.064788	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+Na+K"	61.952376
"771157"	598.109088	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+Na+K"	61.952376
"1667377"	220.020488	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Na+K"	61.952376
"255719"	820.192968	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+ACN+Na"	64.015768
"1237908"	442.104368	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+ACN+Na"	64.015768
"1720233"	442.127893	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+NH4+HCOOH"	64.039293
"1185588"	149.018751333333	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+3Na"	68.967654
"1655480"	447.083288	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Na+HCOOH"	68.994688
"165621"	833.09624	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+2K-H"	76.91904
"611625"	1211.18484	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+2K-H"	76.91904
"1094071"	455.00764	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2K-H"	76.91904
"154168"	417.051758	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"2M+2K"	77.926316
"592636"	606.096058	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"3M+2K"	77.926316
"1081524"	228.007458	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2K"	77.926316
"1114613"	457.022192	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2K+H"	78.933592
"1348932"	457.109807	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+DMSO+H"	79.021207
"1018556"	461.148976	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2ACN+H"	83.060376
"1529029"	462.142608	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+IsoProp+Na+H"	84.054008
"1003129"	231.078126	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+2ACN+2H"	84.067652
"1597633"	463.057228	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+K+HCOOH"	84.968628
"1424388"	493.088738	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+H+CF3COOH"	115.000138
"1152491"	251.591401	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+3ACN+2H"	125.094202
"1703136"	510.115285	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+NH4+CF3COOH"	132.026685
"1648627"	515.07068	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+Na+CF3COOH"	136.98208
"1585372"	531.04462	"C06869"	"Carbenicillin"	"C17H18N2O6S"	"378.0886"	"M+K+CF3COOH"	152.95602
"812463"	423.1642	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M"	0
"985997"	404.14581	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-H2O-H"	-19.01839
"72051"	281.102190666667	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M-3H"	-3.021828
"509426"	422.156924	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M-3H"	-3.021828
"882854"	140.047457333333	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-3H"	-3.021828
"7989"	422.156924	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M-2H"	-2.014552
"448643"	633.739024	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M-2H"	-2.014552
"830092"	210.574824	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-2H"	-2.014552
"92638"	845.321124	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M-H"	-1.007276
"529279"	1268.485324	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M-H"	-1.007276
"903805"	422.156924	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-H"	-1.007276
"48459"	862.347671	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M-2H+NH4"	16.019271
"494459"	1285.511871	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M-2H+NH4"	16.019271
"865211"	439.183471	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-2H+NH4"	16.019271
"37973"	867.303066	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M-2H+Na"	20.974666
"477534"	1290.467266	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M-2H+Na"	20.974666
"850111"	444.138866	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-2H+Na"	20.974666
"1618444"	444.138866	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Na-2H"	20.974666
"102492"	440.145263	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M-H+Cl"	33.962126
"548981"	651.727363	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M-H+Cl"	33.962126
"942504"	228.563163	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-H+Cl"	33.962126
"282801"	881.297802	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+Cl"	34.969402
"675604"	1304.462002	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+Cl"	34.969402
"1288251"	458.133602	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Cl"	34.969402
"31208"	883.277006	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M-2H+K"	36.948606
"471289"	1306.441206	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M-2H+K"	36.948606
"848320"	460.112806	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-2H+K"	36.948606
"1571271"	460.112806	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+K-2H"	36.948606
"958362"	468.162394	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-H+HCOOH"	44.998194
"376355"	891.326601	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+HCOOH-H"	44.998201
"360116"	905.342251	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+Hac-H"	59.013851
"1505546"	482.178051	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Hac-H"	59.013851
"968712"	490.144351	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-H+NaCOOH"	66.980151
"120899"	458.133602	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+2Cl"	69.938804
"556088"	669.715702	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+2Cl"	69.938804
"1029263"	246.551502	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2Cl"	69.938804
"1253217"	502.083085	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Br"	78.918885
"1319076"	504.139072	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Cl+HCOOH"	80.974872
"1333896"	526.121029	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Cl+NaCOOH"	102.956829
"919849"	536.149786	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M-H+CF3COOH"	112.985586
"1297651"	572.126464	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Cl+CF3COOH"	148.962264
"1373624"	388.151524	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H-2H2O"	-35.012676
"1386747"	406.1615	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H-H2O"	-17.0027
"290809"	847.335676	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+H"	1.007276
"685414"	1270.499876	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+H"	1.007276
"1361400"	424.171476	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H"	1.007276
"128097"	424.171476	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+2H"	2.014552
"567658"	635.753576	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+2H"	2.014552
"1039736"	212.589376	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2H"	2.014552
"206906"	283.116742666667	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+3H"	3.021828
"645374"	424.171476	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+3H"	3.021828
"1163866"	142.062009333333	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+3H"	3.021828
"426411"	864.362223	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+NH4"	18.033823
"786308"	1287.526423	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+NH4"	18.033823
"1681796"	441.198023	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+NH4"	18.033823
"333113"	432.6847495	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+H+NH4"	19.041099
"723711"	644.2668495	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+H+NH4"	19.041099
"1483006"	221.1026495	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H+NH4"	19.041099
"401320"	869.317618	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+Na"	22.989218
"755021"	1292.481818	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+Na"	22.989218
"1602746"	446.153418	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Na"	22.989218
"314734"	435.162447	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+H+Na"	23.996494
"707398"	646.744547	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+H+Na"	23.996494
"1463403"	223.580347	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H+Na"	23.996494
"1053001"	149.389323333333	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2H+Na"	25.00377
"1257272"	456.197686	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+CH3OH+H"	33.033486
"377306"	885.291558	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+K"	38.963158
"738826"	1308.455758	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+K"	38.963158
"1539938"	462.127358	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+K"	38.963158
"298720"	443.149417	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+H+K"	39.970434
"691452"	654.731517	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+H+K"	39.970434
"1445618"	231.567317	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H+K"	39.970434
"242923"	888.362226	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+ACN+H"	42.033826
"1217820"	465.198026	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+ACN+H"	42.033826
"1203890"	233.102651	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+ACN+2H"	43.041102
"197854"	891.29956	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+2Na-H"	44.97116
"636321"	1314.46376	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+2Na-H"	44.97116
"1135453"	468.13536	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2Na-H"	44.97116
"175949"	446.153418	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+2Na"	45.978436
"616116"	657.735518	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+2Na"	45.978436
"1117070"	234.571318	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2Na"	45.978436
"1403147"	156.716637333333	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H+2Na"	46.985712
"1430022"	470.176946	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H+HCOOH"	47.012746
"220086"	451.18644	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+3H2O+2H"	56.04448
"1508760"	484.22899	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+IsoProp+H"	61.06479
"408696"	454.140388	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+Na+K"	61.952376
"770579"	665.722488	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+Na+K"	61.952376
"1667487"	242.558288	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Na+K"	61.952376
"255465"	910.344168	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+ACN+Na"	64.015768
"1238018"	487.179968	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+ACN+Na"	64.015768
"1721436"	487.203493	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+NH4+HCOOH"	64.039293
"1186791"	164.043951333333	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+3Na"	68.967654
"1654497"	492.158888	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Na+HCOOH"	68.994688
"164638"	923.24744	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+2K-H"	76.91904
"608575"	1346.41164	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+2K-H"	76.91904
"1091993"	500.08324	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2K-H"	76.91904
"152089"	462.127358	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"2M+2K"	77.926316
"594932"	673.709458	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"3M+2K"	77.926316
"1084107"	250.545258	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2K"	77.926316
"1114481"	502.097792	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2K+H"	78.933592
"1350135"	502.185407	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+DMSO+H"	79.021207
"1019758"	506.224576	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2ACN+H"	83.060376
"1532418"	507.218208	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+IsoProp+Na+H"	84.054008
"999959"	253.615926	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+2ACN+2H"	84.067652
"1597743"	508.132828	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+K+HCOOH"	84.968628
"1422311"	538.164338	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+H+CF3COOH"	115.000138
"1152601"	274.129201	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+3ACN+2H"	125.094202
"1703246"	555.190885	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+NH4+CF3COOH"	132.026685
"1646550"	560.14628	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+Na+CF3COOH"	136.98208
"1585482"	576.12022	"C06870"	"Carbidopa-levodopa"	"C10H14N2O4C9H11NO4"	"423.1642"	"M+K+CF3COOH"	152.95602
"813302"	290.1186	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M"	0
"985014"	271.10021	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-H2O-H"	-19.01839
"72161"	192.405124	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M-3H"	-3.021828
"509536"	289.111324	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M-3H"	-3.021828
"882964"	95.698924	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-3H"	-3.021828
"4819"	289.111324	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M-2H"	-2.014552
"447660"	434.170624	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M-2H"	-2.014552
"831295"	144.052024	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-2H"	-2.014552
"89829"	579.229924	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M-H"	-1.007276
"529389"	869.348524	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M-H"	-1.007276
"902819"	289.111324	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-H"	-1.007276
"51728"	596.256471	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M-2H+NH4"	16.019271
"494569"	886.375071	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M-2H+NH4"	16.019271
"871277"	306.137871	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-2H+NH4"	16.019271
"35897"	601.211866	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M-2H+Na"	20.974666
"475457"	891.330466	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M-2H+Na"	20.974666
"849979"	311.093266	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-2H+Na"	20.974666
"1618649"	311.093266	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Na-2H"	20.974666
"102602"	307.099663	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M-H+Cl"	33.962126
"547635"	452.158963	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M-H+Cl"	33.962126
"942616"	162.040363	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-H+Cl"	33.962126
"282262"	615.206602	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+Cl"	34.969402
"675508"	905.325202	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+Cl"	34.969402
"1288187"	325.088002	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Cl"	34.969402
"30819"	617.185806	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M-2H+K"	36.948606
"471270"	907.304406	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M-2H+K"	36.948606
"844814"	327.067206	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-2H+K"	36.948606
"1566844"	327.067206	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+K-2H"	36.948606
"951444"	335.116794	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-H+HCOOH"	44.998194
"369659"	625.235401	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+HCOOH-H"	44.998201
"354636"	639.251051	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+Hac-H"	59.013851
"1498002"	349.132451	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Hac-H"	59.013851
"962261"	357.098751	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-H+NaCOOH"	66.980151
"113353"	325.088002	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+2Cl"	69.938804
"552918"	470.147302	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+2Cl"	69.938804
"1029373"	180.028702	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2Cl"	69.938804
"1253328"	369.037485	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Br"	78.918885
"1319427"	371.093472	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Cl+HCOOH"	80.974872
"1335345"	393.075429	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Cl+NaCOOH"	102.956829
"922146"	403.104186	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M-H+CF3COOH"	112.985586
"1295573"	439.080864	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Cl+CF3COOH"	148.962264
"1374827"	255.105924	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H-2H2O"	-35.012676
"1389043"	273.1159	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H-H2O"	-17.0027
"290916"	581.244476	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+H"	1.007276
"685524"	871.363076	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+H"	1.007276
"1361874"	291.125876	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H"	1.007276
"128207"	291.125876	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+2H"	2.014552
"567768"	436.185176	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+2H"	2.014552
"1038874"	146.066576	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2H"	2.014552
"205191"	194.419676	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+3H"	3.021828
"645969"	291.125876	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+3H"	3.021828
"1165434"	97.713476	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+3H"	3.021828
"427614"	598.271023	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+NH4"	18.033823
"787025"	888.389623	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+NH4"	18.033823
"1681905"	308.152423	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+NH4"	18.033823
"333223"	299.6391495	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+H+NH4"	19.041099
"724185"	444.6984495	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+H+NH4"	19.041099
"1482023"	154.5798495	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H+NH4"	19.041099
"401430"	603.226418	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+Na"	22.989218
"756226"	893.345018	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+Na"	22.989218
"1603226"	313.107818	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Na"	22.989218
"314844"	302.116847	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+H+Na"	23.996494
"708114"	447.176147	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+H+Na"	23.996494
"1466793"	157.057547	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H+Na"	23.996494
"1053964"	105.04079	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2H+Na"	25.00377
"1257953"	323.152086	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+CH3OH+H"	33.033486
"377578"	619.200358	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+K"	38.963158
"739828"	909.318958	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+K"	38.963158
"1540786"	329.081758	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+K"	38.963158
"300148"	310.103817	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+H+K"	39.970434
"691879"	455.163117	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+H+K"	39.970434
"1446026"	165.044517	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H+K"	39.970434
"241940"	622.271026	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+ACN+H"	42.033826
"1217929"	332.152426	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+ACN+H"	42.033826
"1200721"	166.579851	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+ACN+2H"	43.041102
"189458"	625.20836	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+2Na-H"	44.97116
"633150"	915.32696	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+2Na-H"	44.97116
"1136656"	335.08976	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2Na-H"	44.97116
"175938"	313.107818	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+2Na"	45.978436
"613349"	458.167118	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+2Na"	45.978436
"1117909"	168.048518	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2Na"	45.978436
"1404350"	112.368104	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H+2Na"	46.985712
"1429953"	337.131346	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H+HCOOH"	47.012746
"220082"	318.14084	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+3H2O+2H"	56.04448
"1508471"	351.18339	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+IsoProp+H"	61.06479
"408640"	321.094788	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+Na+K"	61.952376
"770036"	466.154088	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+Na+K"	61.952376
"1667962"	176.035488	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Na+K"	61.952376
"254482"	644.252968	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+ACN+Na"	64.015768
"1234847"	354.134368	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+ACN+Na"	64.015768
"1718266"	354.157893	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+NH4+HCOOH"	64.039293
"1181434"	119.695418	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+3Na"	68.967654
"1651327"	359.113288	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Na+HCOOH"	68.994688
"158915"	657.15624	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+2K-H"	76.91904
"606498"	947.27484	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+2K-H"	76.91904
"1086997"	367.03764	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2K-H"	76.91904
"147825"	329.081758	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"2M+2K"	77.926316
"592854"	474.141058	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"3M+2K"	77.926316
"1076274"	184.022458	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2K"	77.926316
"1111308"	369.052192	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2K+H"	78.933592
"1349152"	369.139807	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+DMSO+H"	79.021207
"1018775"	373.178976	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2ACN+H"	83.060376
"1530341"	374.172608	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+IsoProp+Na+H"	84.054008
"1002256"	187.093126	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+2ACN+2H"	84.067652
"1596760"	375.087228	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+K+HCOOH"	84.968628
"1422421"	405.118738	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+H+CF3COOH"	115.000138
"1154897"	207.606401	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+3ACN+2H"	125.094202
"1704449"	422.145285	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+NH4+CF3COOH"	132.026685
"1646660"	427.10068	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+Na+CF3COOH"	136.98208
"1585592"	443.07462	"C06871"	"Carbinoxamine"	"C16H19ClN2O"	"290.1186"	"M+K+CF3COOH"	152.95602
"811590"	368.2563	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M"	0
"979655"	349.23791	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-H2O-H"	-19.01839
"67898"	244.496924	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M-3H"	-3.021828
"509646"	367.249024	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M-3H"	-3.021828
"881251"	121.744824	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-3H"	-3.021828
"4929"	367.249024	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M-2H"	-2.014552
"447770"	551.377174	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M-2H"	-2.014552
"829948"	183.120874	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-2H"	-2.014552
"88846"	735.505324	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M-H"	-1.007276
"529501"	1103.761624	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M-H"	-1.007276
"905116"	367.249024	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-H"	-1.007276
"50745"	752.531871	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M-2H+NH4"	16.019271
"495772"	1120.788171	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M-2H+NH4"	16.019271
"873573"	384.275571	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-2H+NH4"	16.019271
"40379"	757.487266	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M-2H+Na"	20.974666
"479940"	1125.743566	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M-2H+Na"	20.974666
"856650"	389.230966	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-2H+Na"	20.974666
"1625088"	389.230966	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Na-2H"	20.974666
"99432"	385.237363	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M-H+Cl"	33.962126
"547381"	569.365513	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M-H+Cl"	33.962126
"942443"	201.109213	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-H+Cl"	33.962126
"282459"	771.482002	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+Cl"	34.969402
"675370"	1139.738302	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+Cl"	34.969402
"1288218"	403.225702	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Cl"	34.969402
"30363"	773.461206	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M-2H+K"	36.948606
"470652"	1141.717506	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M-2H+K"	36.948606
"847849"	405.204906	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-2H+K"	36.948606
"1570113"	405.204906	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+K-2H"	36.948606
"954835"	413.254494	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-H+HCOOH"	44.998194
"373050"	781.510801	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+HCOOH-H"	44.998201
"359486"	795.526451	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+Hac-H"	59.013851
"1503577"	427.270151	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Hac-H"	59.013851
"970024"	435.236451	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-H+NaCOOH"	66.980151
"122212"	403.225702	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+2Cl"	69.938804
"556308"	587.353852	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+2Cl"	69.938804
"1029483"	219.097552	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2Cl"	69.938804
"1253074"	447.175185	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Br"	78.918885
"1316615"	449.231172	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Cl+HCOOH"	80.974872
"1333392"	471.213129	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Cl+NaCOOH"	102.956829
"925541"	481.241886	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M-H+CF3COOH"	112.985586
"1302612"	517.218564	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Cl+CF3COOH"	148.962264
"1380041"	333.243624	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H-2H2O"	-35.012676
"1394988"	351.2536	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H-H2O"	-17.0027
"295768"	737.519876	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+H"	1.007276
"688918"	1105.776176	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+H"	1.007276
"1361620"	369.263576	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H"	1.007276
"134880"	369.263576	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+2H"	2.014552
"571159"	553.391726	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+2H"	2.014552
"1039953"	185.135426	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2H"	2.014552
"206399"	246.511476	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+3H"	3.021828
"646325"	369.263576	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+3H"	3.021828
"1164573"	123.759376	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+3H"	3.021828
"427724"	754.546423	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+NH4"	18.033823
"790905"	1122.802723	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+NH4"	18.033823
"1683961"	386.290123	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+NH4"	18.033823
"333332"	377.7768495	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+H+NH4"	19.041099
"730127"	561.9049995	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+H+NH4"	19.041099
"1481769"	193.6486995	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H+NH4"	19.041099
"404820"	759.501818	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+Na"	22.989218
"756700"	1127.758118	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+Na"	22.989218
"1603825"	391.245518	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Na"	22.989218
"321761"	380.254547	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+H+Na"	23.996494
"716369"	564.382697	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+H+Na"	23.996494
"1470188"	196.126397	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H+Na"	23.996494
"1055779"	131.08669	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2H+Na"	25.00377
"1259278"	401.289786	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+CH3OH+H"	33.033486
"377610"	775.475758	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+K"	38.963158
"741398"	1143.732058	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+K"	38.963158
"1541629"	407.219458	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+K"	38.963158
"299169"	388.241517	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+H+K"	39.970434
"691591"	572.369667	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+H+K"	39.970434
"1446623"	204.113367	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H+K"	39.970434
"238767"	778.546426	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+ACN+H"	42.033826
"1211478"	410.290126	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+ACN+H"	42.033826
"1198644"	205.648701	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+ACN+2H"	43.041102
"188627"	781.48376	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+2Na-H"	44.97116
"630101"	1149.74006	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+2Na-H"	44.97116
"1133486"	413.22746	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2Na-H"	44.97116
"173495"	391.245518	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+2Na"	45.978436
"616336"	575.373668	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+2Na"	45.978436
"1115770"	207.117368	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2Na"	45.978436
"1398507"	138.414004	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H+2Na"	46.985712
"1430121"	415.269046	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H+HCOOH"	47.012746
"220549"	396.27854	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+3H2O+2H"	56.04448
"1508638"	429.32109	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+IsoProp+H"	61.06479
"408547"	399.232488	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+Na+K"	61.952376
"770393"	583.360638	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+Na+K"	61.952376
"1667706"	215.104338	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Na+K"	61.952376
"257872"	800.528368	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+ACN+Na"	64.015768
"1235686"	432.272068	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+ACN+Na"	64.015768
"1718376"	432.295593	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+NH4+HCOOH"	64.039293
"1183731"	145.741318	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+3Na"	68.967654
"1653624"	437.250988	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Na+HCOOH"	68.994688
"168141"	813.43164	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+2K-H"	76.91904
"609888"	1181.68794	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+2K-H"	76.91904
"1088932"	445.17534	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2K-H"	76.91904
"151217"	407.219458	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"2M+2K"	77.926316
"588590"	591.347608	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"3M+2K"	77.926316
"1079665"	223.091308	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2K"	77.926316
"1111782"	447.189892	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2K+H"	78.933592
"1347077"	447.277507	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+DMSO+H"	79.021207
"1018887"	451.316676	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2ACN+H"	83.060376
"1531546"	452.310308	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+IsoProp+Na+H"	84.054008
"997992"	226.161976	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+2ACN+2H"	84.067652
"1596871"	453.224928	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+K+HCOOH"	84.968628
"1426905"	483.256438	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+H+CF3COOH"	115.000138
"1158289"	246.675251	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+3ACN+2H"	125.094202
"1703466"	500.282985	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+NH4+CF3COOH"	132.026685
"1646770"	505.23838	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+Na+CF3COOH"	136.98208
"1585702"	521.21232	"C06872"	"Carboprost"	"C21H36O5"	"368.2563"	"M+K+CF3COOH"	152.95602
"812788"	213.0072	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M"	0
"983045"	193.98881	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-H2O-H"	-19.01839
"66914"	140.997524	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M-3H"	-3.021828
"509756"	211.999924	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M-3H"	-3.021828
"881239"	69.995124	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-3H"	-3.021828
"5039"	211.999924	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M-2H"	-2.014552
"447880"	318.503524	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M-2H"	-2.014552
"826777"	105.496324	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-2H"	-2.014552
"87862"	425.007124	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M-H"	-1.007276
"526328"	638.014324	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M-H"	-1.007276
"903038"	211.999924	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-H"	-1.007276
"50124"	442.033671	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M-2H+NH4"	16.019271
"493692"	655.040871	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M-2H+NH4"	16.019271
"868213"	229.026471	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-2H+NH4"	16.019271
"32217"	446.989066	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M-2H+Na"	20.974666
"472876"	659.996266	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M-2H+Na"	20.974666
"851287"	233.981866	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-2H+Na"	20.974666
"1621916"	233.981866	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Na-2H"	20.974666
"99542"	229.988263	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M-H+Cl"	33.962126
"546395"	336.491863	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M-H+Cl"	33.962126
"942228"	123.484663	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-H+Cl"	33.962126
"280655"	460.983802	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+Cl"	34.969402
"674172"	673.991002	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+Cl"	34.969402
"1287548"	247.976602	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Cl"	34.969402
"31247"	462.963006	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M-2H+K"	36.948606
"469784"	675.970206	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M-2H+K"	36.948606
"841387"	249.955806	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-2H+K"	36.948606
"1568156"	249.955806	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+K-2H"	36.948606
"950572"	258.005394	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-H+HCOOH"	44.998194
"369880"	471.012601	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+HCOOH-H"	44.998201
"357044"	485.028251	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+Hac-H"	59.013851
"1502594"	272.021051	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Hac-H"	59.013851
"970134"	279.987351	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-H+NaCOOH"	66.980151
"122322"	247.976602	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+2Cl"	69.938804
"554594"	354.480202	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+2Cl"	69.938804
"1028500"	141.473002	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2Cl"	69.938804
"1252091"	291.926085	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Br"	78.918885
"1315996"	293.982072	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Cl+HCOOH"	80.974872
"1332038"	315.964029	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Cl+NaCOOH"	102.956829
"923096"	325.992786	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M-H+CF3COOH"	112.985586
"1294697"	361.969464	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Cl+CF3COOH"	148.962264
"1378692"	177.994524	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H-2H2O"	-35.012676
"1395827"	196.0045	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H-H2O"	-17.0027
"295877"	427.021676	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+H"	1.007276
"688662"	640.028876	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+H"	1.007276
"1360271"	214.014476	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H"	1.007276
"133890"	214.014476	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+2H"	2.014552
"571269"	320.518076	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+2H"	2.014552
"1041156"	107.510876	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2H"	2.014552
"206143"	143.012076	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+3H"	3.021828
"645341"	214.014476	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+3H"	3.021828
"1166748"	72.009676	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+3H"	3.021828
"427834"	444.048223	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+NH4"	18.033823
"791014"	657.055423	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+NH4"	18.033823
"1687351"	231.041023	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+NH4"	18.033823
"333442"	222.5277495	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+H+NH4"	19.041099
"729144"	329.0313495	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+H+NH4"	19.041099
"1482972"	116.0241495	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H+NH4"	19.041099
"407118"	449.003618	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+Na"	22.989218
"757540"	662.010818	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+Na"	22.989218
"1604545"	235.996418	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Na"	22.989218
"326245"	225.005447	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+H+Na"	23.996494
"716479"	331.509047	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+H+Na"	23.996494
"1469206"	118.501847	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H+Na"	23.996494
"1059171"	79.33699	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2H+Na"	25.00377
"1259756"	246.040686	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+CH3OH+H"	33.033486
"379422"	464.977558	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+K"	38.963158
"741509"	677.984758	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+K"	38.963158
"1541376"	251.970358	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+K"	38.963158
"300010"	232.992417	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+H+K"	39.970434
"692434"	339.496017	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+H+K"	39.970434
"1446374"	126.488817	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H+K"	39.970434
"239241"	468.048226	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+ACN+H"	42.033826
"1212315"	255.041026	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+ACN+H"	42.033826
"1198754"	128.024151	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+ACN+2H"	43.041102
"189027"	470.98556	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+2Na-H"	44.97116
"630209"	683.99276	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+2Na-H"	44.97116
"1136875"	257.97836	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2Na-H"	44.97116
"174091"	235.996418	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+2Na"	45.978436
"616446"	342.500018	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+2Na"	45.978436
"1117766"	129.492818	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2Na"	45.978436
"1401290"	86.664304	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H+2Na"	46.985712
"1430595"	260.019946	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H+HCOOH"	47.012746
"221388"	241.02944	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+3H2O+2H"	56.04448
"1509211"	274.07199	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+IsoProp+H"	61.06479
"409262"	243.983388	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+Na+K"	61.952376
"770863"	350.486988	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+Na+K"	61.952376
"1666601"	137.479788	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Na+K"	61.952376
"255795"	490.030168	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+ACN+Na"	64.015768
"1232880"	277.022968	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+ACN+Na"	64.015768
"1719579"	277.046493	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+NH4+HCOOH"	64.039293
"1179829"	93.991618	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+3Na"	68.967654
"1650815"	282.001888	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Na+HCOOH"	68.994688
"160594"	502.93344	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+2K-H"	76.91904
"606717"	715.94064	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+2K-H"	76.91904
"1091230"	289.92624	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2K-H"	76.91904
"148045"	251.970358	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"2M+2K"	77.926316
"586513"	358.473958	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"3M+2K"	77.926316
"1079775"	145.466758	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2K"	77.926316
"1110796"	291.940792	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2K+H"	78.933592
"1346822"	292.028407	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+DMSO+H"	79.021207
"1015715"	296.067576	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2ACN+H"	83.060376
"1529469"	297.061208	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+IsoProp+Na+H"	84.054008
"998102"	148.537426	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+2ACN+2H"	84.067652
"1598074"	297.975828	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+K+HCOOH"	84.968628
"1424828"	328.007338	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+H+CF3COOH"	115.000138
"1158399"	169.050701	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+3ACN+2H"	125.094202
"1704669"	345.033885	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+NH4+CF3COOH"	132.026685
"1646880"	349.98928	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+Na+CF3COOH"	136.98208
"1585812"	365.96322	"C06873"	"Carmustine;Bischloroethyl nitrosourea;BCNU"	"C5H9Cl2N3O2"	"213.0072"	"M+K+CF3COOH"	152.95602
"813992"	292.1787	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M"	0
"984249"	273.16031	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-H2O-H"	-19.01839
"72492"	193.778524	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M-3H"	-3.021828
"509866"	291.171424	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M-3H"	-3.021828
"893133"	96.385624	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-3H"	-3.021828
"7336"	291.171424	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M-2H"	-2.014552
"449083"	437.260774	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M-2H"	-2.014552
"823607"	145.082074	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-2H"	-2.014552
"88338"	583.350124	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M-H"	-1.007276
"525344"	875.528824	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M-H"	-1.007276
"904241"	291.171424	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-H"	-1.007276
"52055"	600.376671	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M-2H+NH4"	16.019271
"495989"	892.555371	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M-2H+NH4"	16.019271
"868323"	308.197971	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-2H+NH4"	16.019271
"33062"	605.332066	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M-2H+Na"	20.974666
"474688"	897.510766	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M-2H+Na"	20.974666
"850424"	313.153366	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-2H+Na"	20.974666
"1628585"	313.153366	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Na-2H"	20.974666
"99650"	309.159763	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M-H+Cl"	33.962126
"546141"	455.249113	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M-H+Cl"	33.962126
"942537"	163.070413	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-H+Cl"	33.962126
"282104"	619.326802	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+Cl"	34.969402
"674648"	911.505502	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+Cl"	34.969402
"1288304"	327.148102	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Cl"	34.969402
"30592"	621.306006	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M-2H+K"	36.948606
"470258"	913.484706	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M-2H+K"	36.948606
"845870"	329.127306	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-2H+K"	36.948606
"1567902"	329.127306	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+K-2H"	36.948606
"955782"	337.176894	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-H+HCOOH"	44.998194
"371082"	629.355601	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+HCOOH-H"	44.998201
"355697"	643.371251	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+Hac-H"	59.013851
"1503798"	351.192551	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Hac-H"	59.013851
"972559"	359.158851	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-H+NaCOOH"	66.980151
"119152"	327.148102	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+2Cl"	69.938804
"556529"	473.237452	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+2Cl"	69.938804
"1030797"	181.058752	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2Cl"	69.938804
"1252929"	371.097585	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Br"	78.918885
"1319352"	373.153572	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Cl+HCOOH"	80.974872
"1335068"	395.135529	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Cl+NaCOOH"	102.956829
"924663"	405.164286	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M-H+CF3COOH"	112.985586
"1299911"	441.140964	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Cl+CF3COOH"	148.962264
"1379166"	257.166024	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H-2H2O"	-35.012676
"1398169"	275.176	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H-H2O"	-17.0027
"296716"	585.364676	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+H"	1.007276
"685856"	877.543376	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+H"	1.007276
"1357829"	293.185976	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H"	1.007276
"136190"	293.185976	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+2H"	2.014552
"569192"	439.275326	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+2H"	2.014552
"1040539"	147.096626	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2H"	2.014552
"208075"	195.793076	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+3H"	3.021828
"649826"	293.185976	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+3H"	3.021828
"1167952"	98.400176	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+3H"	3.021828
"429037"	602.391223	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+NH4"	18.033823
"791125"	894.569923	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+NH4"	18.033823
"1687461"	310.212523	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+NH4"	18.033823
"330757"	301.6992495	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+H+NH4"	19.041099
"730347"	447.7885995	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+H+NH4"	19.041099
"1485268"	155.6098995	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H+NH4"	19.041099
"401760"	607.346618	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+Na"	22.989218
"757284"	899.525318	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+Na"	22.989218
"1610850"	315.167918	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Na"	22.989218
"318702"	304.176947	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+H+Na"	23.996494
"721814"	450.266297	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+H+Na"	23.996494
"1469316"	158.087597	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H+Na"	23.996494
"1061468"	105.72749	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2H+Na"	25.00377
"1260960"	325.212186	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+CH3OH+H"	33.033486
"379900"	623.320558	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+K"	38.963158
"739312"	915.499258	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+K"	38.963158
"1541853"	331.141858	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+K"	38.963158
"301216"	312.163917	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+H+K"	39.970434
"693273"	458.253267	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+H+K"	39.970434
"1446120"	166.074567	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H+K"	39.970434
"241175"	626.391226	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+ACN+H"	42.033826
"1216074"	334.212526	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+ACN+H"	42.033826
"1201051"	167.609901	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+ACN+2H"	43.041102
"191734"	629.32856	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+2Na-H"	44.97116
"630928"	921.50726	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+2Na-H"	44.97116
"1136986"	337.14986	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2Na-H"	44.97116
"180279"	315.167918	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+2Na"	45.978436
"614367"	461.257268	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+2Na"	45.978436
"1118969"	169.078568	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2Na"	45.978436
"1402857"	113.054804	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H+2Na"	46.985712
"1430225"	339.191446	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H+HCOOH"	47.012746
"220650"	320.20094	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+3H2O+2H"	56.04448
"1510051"	353.24349	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+IsoProp+H"	61.06479
"409496"	323.154888	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+Na+K"	61.952376
"773044"	469.244238	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+Na+K"	61.952376
"1666468"	177.065538	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Na+K"	61.952376
"255905"	648.373168	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+ACN+Na"	64.015768
"1229709"	356.194468	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+ACN+Na"	64.015768
"1721877"	356.217993	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+NH4+HCOOH"	64.039293
"1180669"	120.382118	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+3Na"	68.967654
"1652020"	361.173388	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Na+HCOOH"	68.994688
"158637"	661.27644	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+2K-H"	76.91904
"606827"	953.45514	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+2K-H"	76.91904
"1091340"	369.09774	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2K-H"	76.91904
"148155"	331.141858	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"2M+2K"	77.926316
"586623"	477.231208	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"3M+2K"	77.926316
"1074417"	185.052508	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2K"	77.926316
"1107626"	371.112292	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2K+H"	78.933592
"1339642"	371.199907	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+DMSO+H"	79.021207
"1013637"	375.239076	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2ACN+H"	83.060376
"1530671"	376.232708	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+IsoProp+Na+H"	84.054008
"999306"	188.123176	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+2ACN+2H"	84.067652
"1594904"	377.147328	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+K+HCOOH"	84.968628
"1427124"	407.178838	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+H+CF3COOH"	115.000138
"1156320"	208.636451	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+3ACN+2H"	125.094202
"1706965"	424.205385	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+NH4+CF3COOH"	132.026685
"1644802"	429.16078	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+Na+CF3COOH"	136.98208
"1585922"	445.13472	"C06874"	"Carteolol"	"C16H24N2O3"	"292.1787"	"M+K+CF3COOH"	152.95602
"809728"	406.1893	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M"	0
"979986"	387.17091	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-H2O-H"	-19.01839
"73696"	269.785590666667	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M-3H"	-3.021828
"511070"	405.182024	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M-3H"	-3.021828
"891057"	134.389157333333	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-3H"	-3.021828
"7446"	405.182024	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M-2H"	-2.014552
"448100"	608.276674	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M-2H"	-2.014552
"823717"	202.087374	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-2H"	-2.014552
"89174"	811.371324	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M-H"	-1.007276
"526547"	1217.560624	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M-H"	-1.007276
"904349"	405.182024	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-H"	-1.007276
"53256"	828.397871	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M-2H+NH4"	16.019271
"492819"	1234.587171	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M-2H+NH4"	16.019271
"867338"	422.208571	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-2H+NH4"	16.019271
"34144"	833.353266	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M-2H+Na"	20.974666
"474797"	1239.542566	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M-2H+Na"	20.974666
"851506"	427.163966	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-2H+Na"	20.974666
"1623227"	427.163966	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Na-2H"	20.974666
"97572"	423.170363	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M-H+Cl"	33.962126
"540413"	626.265013	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M-H+Cl"	33.962126
"940130"	220.075713	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-H+Cl"	33.962126
"282211"	847.348002	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+Cl"	34.969402
"675203"	1253.537302	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+Cl"	34.969402
"1288379"	441.158702	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Cl"	34.969402
"30892"	849.327206	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M-2H+K"	36.948606
"470734"	1255.516506	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M-2H+K"	36.948606
"843794"	443.137906	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-2H+K"	36.948606
"1566189"	443.137906	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+K-2H"	36.948606
"954071"	451.187494	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-H+HCOOH"	44.998194
"369006"	857.376801	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+HCOOH-H"	44.998201
"356538"	871.392451	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+Hac-H"	59.013851
"1502816"	465.203151	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Hac-H"	59.013851
"972542"	473.169451	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-H+NaCOOH"	66.980151
"119264"	441.158702	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+2Cl"	69.938804
"556640"	644.253352	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+2Cl"	69.938804
"1030907"	238.064052	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2Cl"	69.938804
"1254133"	485.108185	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Br"	78.918885
"1319422"	487.164172	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Cl+HCOOH"	80.974872
"1335575"	509.146129	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Cl+NaCOOH"	102.956829
"924772"	519.174886	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M-H+CF3COOH"	112.985586
"1302209"	555.151564	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Cl+CF3COOH"	148.962264
"1381466"	371.176624	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H-2H2O"	-35.012676
"1394953"	389.1866	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H-H2O"	-17.0027
"295004"	813.385876	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+H"	1.007276
"684508"	1219.575176	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+H"	1.007276
"1357939"	407.196576	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H"	1.007276
"139584"	407.196576	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+2H"	2.014552
"568209"	610.291226	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+2H"	2.014552
"1038827"	204.101926	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2H"	2.014552
"207092"	271.800142666667	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+3H"	3.021828
"647020"	407.196576	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+3H"	3.021828
"1165875"	136.403709333333	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+3H"	3.021828
"426961"	830.412423	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+NH4"	18.033823
"790142"	1236.601723	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+NH4"	18.033823
"1690851"	424.223123	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+NH4"	18.033823
"333662"	415.7098495	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+H+NH4"	19.041099
"730457"	618.8044995	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+H+NH4"	19.041099
"1482824"	212.6151995	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H+NH4"	19.041099
"395673"	835.367818	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+Na"	22.989218
"763955"	1241.557118	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+Na"	22.989218
"1613146"	429.178518	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Na"	22.989218
"324277"	418.187547	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+H+Na"	23.996494
"716697"	621.282197	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+H+Na"	23.996494
"1470518"	215.092897	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H+Na"	23.996494
"1055380"	143.731023333333	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2H+Na"	25.00377
"1258518"	439.222786	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+CH3OH+H"	33.033486
"378551"	851.341758	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+K"	38.963158
"739304"	1257.531058	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+K"	38.963158
"1541964"	445.152458	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+K"	38.963158
"299871"	426.174517	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+H+K"	39.970434
"691683"	629.269167	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+H+K"	39.970434
"1445739"	223.079867	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H+K"	39.970434
"245659"	854.412426	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+ACN+H"	42.033826
"1218371"	448.223126	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+ACN+H"	42.033826
"1201161"	224.615201	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+ACN+2H"	43.041102
"194031"	857.34976	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+2Na-H"	44.97116
"633590"	1263.53906	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+2Na-H"	44.97116
"1137096"	451.16046	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2Na-H"	44.97116
"178566"	429.178518	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+2Na"	45.978436
"614232"	632.273168	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+2Na"	45.978436
"1119807"	226.083868	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2Na"	45.978436
"1402967"	151.058337333333	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H+2Na"	46.985712
"1430578"	453.202046	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H+HCOOH"	47.012746
"220881"	434.21154	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+3H2O+2H"	56.04448
"1508990"	467.25409	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+IsoProp+H"	61.06479
"409972"	437.165488	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+Na+K"	61.952376
"772425"	640.260138	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+Na+K"	61.952376
"1665969"	234.070838	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Na+K"	61.952376
"256015"	876.394368	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+ACN+Na"	64.015768
"1229819"	470.205068	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+ACN+Na"	64.015768
"1723080"	470.228593	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+NH4+HCOOH"	64.039293
"1182966"	158.385651333333	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+3Na"	68.967654
"1652860"	475.183988	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Na+HCOOH"	68.994688
"159840"	889.29764	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+2K-H"	76.91904
"605844"	1295.48694	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+2K-H"	76.91904
"1092543"	483.10834	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2K-H"	76.91904
"148265"	445.152458	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"2M+2K"	77.926316
"587825"	648.247108	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"3M+2K"	77.926316
"1074526"	242.057808	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2K"	77.926316
"1106641"	485.122892	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2K+H"	78.933592
"1343031"	485.210507	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+DMSO+H"	79.021207
"1015933"	489.249676	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2ACN+H"	83.060376
"1530781"	490.243308	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+IsoProp+Na+H"	84.054008
"999416"	245.128476	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+2ACN+2H"	84.067652
"1595014"	491.157928	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+K+HCOOH"	84.968628
"1427234"	521.189438	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+H+CF3COOH"	115.000138
"1158617"	265.641751	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+3ACN+2H"	125.094202
"1709262"	538.215985	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+NH4+CF3COOH"	132.026685
"1644912"	543.17138	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+Na+CF3COOH"	136.98208
"1586032"	559.14532	"C06875"	"Carvedilol"	"C24H26N2O4"	"406.1893"	"M+K+CF3COOH"	152.95602
"809838"	107.0371	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M"	0
"983376"	88.01871	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-H2O-H"	-19.01839
"72713"	70.3507906666667	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M-3H"	-3.021828
"510086"	106.029824	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M-3H"	-3.021828
"892261"	34.6717573333333	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-3H"	-3.021828
"7558"	106.029824	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M-2H"	-2.014552
"449303"	159.548374	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M-2H"	-2.014552
"820546"	52.511274	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-2H"	-2.014552
"88193"	213.066924	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M-H"	-1.007276
"526657"	320.104024	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M-H"	-1.007276
"900086"	106.029824	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-H"	-1.007276
"53366"	230.093471	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M-2H+NH4"	16.019271
"492929"	337.130571	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M-2H+NH4"	16.019271
"870728"	123.056371	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-2H+NH4"	16.019271
"33161"	235.048866	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M-2H+Na"	20.974666
"473084"	342.085966	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M-2H+Na"	20.974666
"852709"	128.011766	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-2H+Na"	20.974666
"1623337"	128.011766	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Na-2H"	20.974666
"98775"	124.018163	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M-H+Cl"	33.962126
"540523"	177.536713	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M-H+Cl"	33.962126
"940240"	70.499613	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-H+Cl"	33.962126
"281714"	249.043602	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+Cl"	34.969402
"675594"	356.080702	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+Cl"	34.969402
"1288005"	142.006502	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Cl"	34.969402
"31174"	251.022806	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M-2H+K"	36.948606
"470844"	358.059906	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M-2H+K"	36.948606
"844999"	143.985706	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-2H+K"	36.948606
"1566299"	143.985706	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+K-2H"	36.948606
"953818"	152.035294	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-H+HCOOH"	44.998194
"371303"	259.072401	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+HCOOH-H"	44.998201
"357012"	273.088051	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+Hac-H"	59.013851
"1500739"	166.050951	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Hac-H"	59.013851
"968278"	174.017251	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-H+NaCOOH"	66.980151
"117551"	142.006502	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+2Cl"	69.938804
"557842"	195.525052	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+2Cl"	69.938804
"1029921"	88.487952	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2Cl"	69.938804
"1250596"	185.955985	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Br"	78.918885
"1313045"	188.011972	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Cl+HCOOH"	80.974872
"1332732"	209.993929	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Cl+NaCOOH"	102.956829
"921600"	220.022686	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M-H+CF3COOH"	112.985586
"1295027"	255.999364	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Cl+CF3COOH"	148.962264
"1374282"	72.024424	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H-2H2O"	-35.012676
"1387404"	90.0344	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H-H2O"	-17.0027
"292560"	215.081476	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+H"	1.007276
"683888"	322.118576	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+H"	1.007276
"1352216"	108.044376	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H"	1.007276
"139326"	108.044376	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+2H"	2.014552
"568318"	161.562926	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+2H"	2.014552
"1038939"	54.525826	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2H"	2.014552
"208299"	72.3653426666667	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+3H"	3.021828
"647860"	108.044376	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+3H"	3.021828
"1168175"	36.6863093333333	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+3H"	3.021828
"428164"	232.108023	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+NH4"	18.033823
"790254"	339.145123	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+NH4"	18.033823
"1690961"	125.070923	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+NH4"	18.033823
"333772"	116.5576495	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+H+NH4"	19.041099
"730567"	170.0761995	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+H+NH4"	19.041099
"1477466"	63.0390995	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H+NH4"	19.041099
"395781"	237.063418	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+Na"	22.989218
"767345"	344.100518	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+Na"	22.989218
"1609976"	130.026318	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Na"	22.989218
"322200"	119.035347	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+H+Na"	23.996494
"717900"	172.553897	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+H+Na"	23.996494
"1470628"	65.516797	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H+Na"	23.996494
"1058406"	44.0136233333333	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2H+Na"	25.00377
"1260085"	140.070586	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+CH3OH+H"	33.033486
"379025"	253.037358	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+K"	38.963158
"740016"	360.074458	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+K"	38.963158
"1542075"	146.000258	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+K"	38.963158
"302167"	127.022317	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+H+K"	39.970434
"692397"	180.540867	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+H+K"	39.970434
"1446258"	73.503767	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H+K"	39.970434
"245771"	256.108026	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+ACN+H"	42.033826
"1215199"	149.070926	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+ACN+H"	42.033826
"1201271"	75.039101	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+ACN+2H"	43.041102
"195235"	259.04536	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+2Na-H"	44.97116
"632604"	366.08246	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+2Na-H"	44.97116
"1135747"	152.00826	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2Na-H"	44.97116
"179040"	130.026318	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+2Na"	45.978436
"613859"	183.544868	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+2Na"	45.978436
"1115876"	76.507768	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2Na"	45.978436
"1403441"	51.3409373333333	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H+2Na"	46.985712
"1429929"	154.049846	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H+HCOOH"	47.012746
"219991"	135.05934	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+3H2O+2H"	56.04448
"1508937"	168.10189	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+IsoProp+H"	61.06479
"408867"	138.013288	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+Na+K"	61.952376
"771807"	191.531838	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+Na+K"	61.952376
"1667783"	84.494738	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Na+K"	61.952376
"255396"	278.089968	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+ACN+Na"	64.015768
"1229929"	171.052868	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+ACN+Na"	64.015768
"1719908"	171.076393	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+NH4+HCOOH"	64.039293
"1185262"	58.6682513333333	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+3Na"	68.967654
"1654064"	176.031788	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Na+HCOOH"	68.994688
"163110"	290.99324	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+2K-H"	76.91904
"607048"	398.03034	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+2K-H"	76.91904
"1094840"	183.95614	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2K-H"	76.91904
"149468"	146.000258	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"2M+2K"	77.926316
"590120"	199.518808	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"3M+2K"	77.926316
"1075728"	92.481708	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2K"	77.926316
"1110030"	185.970692	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2K+H"	78.933592
"1337673"	186.058307	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+DMSO+H"	79.021207
"1011669"	190.097476	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2ACN+H"	83.060376
"1533077"	191.091108	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+IsoProp+Na+H"	84.054008
"996246"	95.552376	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+2ACN+2H"	84.067652
"1597311"	192.005728	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+K+HCOOH"	84.968628
"1427344"	222.037238	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+H+CF3COOH"	115.000138
"1158727"	116.065651	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+3ACN+2H"	125.094202
"1709372"	239.063785	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+NH4+CF3COOH"	132.026685
"1645022"	244.01918	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+Na+CF3COOH"	136.98208
"1586142"	259.99312	"C06876"	"Nitrosobenzene"	"C6H5NO"	"107.0371"	"M+K+CF3COOH"	152.95602
"816270"	367.0394	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M"	0
"981301"	348.02101	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-H2O-H"	-19.01839
"72824"	243.685657333333	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M-3H"	-3.021828
"506919"	366.032124	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M-3H"	-3.021828
"888000"	121.339190666667	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-3H"	-3.021828
"7669"	366.032124	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M-2H"	-2.014552
"446136"	549.551824	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M-2H"	-2.014552
"823938"	182.512424	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-2H"	-2.014552
"83929"	733.071524	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M-H"	-1.007276
"523490"	1100.110924	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M-H"	-1.007276
"900197"	366.032124	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-H"	-1.007276
"49103"	750.098071	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M-2H+NH4"	16.019271
"497413"	1117.137471	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M-2H+NH4"	16.019271
"873027"	383.058671	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-2H+NH4"	16.019271
"34367"	755.053466	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M-2H+Na"	20.974666
"478301"	1122.092866	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M-2H+Na"	20.974666
"856103"	388.014066	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-2H+Na"	20.974666
"1624541"	388.014066	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Na-2H"	20.974666
"99983"	384.020463	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M-H+Cl"	33.962126
"543918"	567.540163	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M-H+Cl"	33.962126
"934880"	200.500763	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-H+Cl"	33.962126
"280001"	769.048202	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+Cl"	34.969402
"674616"	1136.087602	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+Cl"	34.969402
"1286652"	402.008802	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Cl"	34.969402
"29573"	771.027406	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M-2H+K"	36.948606
"467674"	1138.066806	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M-2H+K"	36.948606
"842925"	403.988006	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-2H+K"	36.948606
"1567506"	403.988006	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+K-2H"	36.948606
"956117"	412.037594	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-H+HCOOH"	44.998194
"374334"	779.077001	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+HCOOH-H"	44.998201
"356391"	793.092651	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+Hac-H"	59.013851
"1503036"	426.053251	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Hac-H"	59.013851
"970579"	434.019551	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-H+NaCOOH"	66.980151
"117298"	402.008802	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+2Cl"	69.938804
"557951"	585.528502	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+2Cl"	69.938804
"1030034"	218.489102	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2Cl"	69.938804
"1251435"	445.958285	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Br"	78.918885
"1312060"	448.014272	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Cl+HCOOH"	80.974872
"1331746"	469.996229	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Cl+NaCOOH"	102.956829
"923534"	480.024986	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M-H+CF3COOH"	112.985586
"1298420"	516.001664	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Cl+CF3COOH"	148.962264
"1378404"	332.026724	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H-2H2O"	-35.012676
"1392984"	350.0367	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H-H2O"	-17.0027
"291212"	735.086076	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+H"	1.007276
"679624"	1102.125476	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+H"	1.007276
"1355973"	368.046676	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H"	1.007276
"139438"	368.046676	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+2H"	2.014552
"570616"	551.566376	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+2H"	2.014552
"1042697"	184.526976	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2H"	2.014552
"214973"	245.700209333333	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+3H"	3.021828
"655626"	368.046676	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+3H"	3.021828
"1171566"	123.353742666667	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+3H"	3.021828
"433745"	752.112623	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+NH4"	18.033823
"789272"	1119.152023	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+NH4"	18.033823
"1694354"	385.073223	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+NH4"	18.033823
"344576"	376.5599495	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+H+NH4"	19.041099
"736147"	560.0796495	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+H+NH4"	19.041099
"1491061"	193.0402495	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H+NH4"	19.041099
"393457"	757.068018	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+Na"	22.989218
"760895"	1124.107418	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+Na"	22.989218
"1611179"	390.028618	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Na"	22.989218
"322310"	379.037647	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+H+Na"	23.996494
"718011"	562.557347	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+H+Na"	23.996494
"1474018"	195.517947	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H+Na"	23.996494
"1059609"	130.681056666667	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2H+Na"	25.00377
"1262382"	400.072886	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+CH3OH+H"	33.033486
"379135"	773.041958	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+K"	38.963158
"738914"	1140.081358	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+K"	38.963158
"1544008"	406.002558	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+K"	38.963158
"302277"	387.024617	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+H+K"	39.970434
"693602"	570.544317	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+H+K"	39.970434
"1447059"	203.504917	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H+K"	39.970434
"246610"	776.112626	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+ACN+H"	42.033826
"1216402"	409.073226	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+ACN+H"	42.033826
"1201381"	205.040251	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+ACN+2H"	43.041102
"194252"	779.04996	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+2Na-H"	44.97116
"632714"	1146.08936	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+2Na-H"	44.97116
"1137680"	412.01056	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2Na-H"	44.97116
"175503"	390.028618	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+2Na"	45.978436
"613969"	573.548318	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+2Na"	45.978436
"1116620"	206.508918	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2Na"	45.978436
"1399904"	138.008370666667	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H+2Na"	46.985712
"1430924"	414.052146	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H+HCOOH"	47.012746
"222076"	395.06164	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+3H2O+2H"	56.04448
"1510143"	428.10419	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+IsoProp+H"	61.06479
"410921"	398.015588	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+Na+K"	61.952376
"771308"	581.535288	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+Na+K"	61.952376
"1668984"	214.495888	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Na+K"	61.952376
"252955"	798.094568	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+ACN+Na"	64.015768
"1228946"	431.055168	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+ACN+Na"	64.015768
"1716739"	431.078693	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+NH4+HCOOH"	64.039293
"1182092"	145.335684666667	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+3Na"	68.967654
"1654174"	436.034088	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Na+HCOOH"	68.994688
"165410"	810.99784	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+2K-H"	76.91904
"603878"	1178.03724	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+2K-H"	76.91904
"1089484"	443.95844	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2K-H"	76.91904
"147394"	406.002558	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"2M+2K"	77.926316
"585857"	589.522258	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"3M+2K"	77.926316
"1071830"	222.482858	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2K"	77.926316
"1105770"	445.972992	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2K+H"	78.933592
"1346532"	446.060607	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+DMSO+H"	79.021207
"1017252"	450.099776	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2ACN+H"	83.060376
"1535742"	451.093408	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+IsoProp+Na+H"	84.054008
"994171"	225.553526	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+2ACN+2H"	84.067652
"1596329"	452.008028	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+K+HCOOH"	84.968628
"1427456"	482.039538	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+H+CF3COOH"	115.000138
"1156651"	246.066801	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+3ACN+2H"	125.094202
"1709482"	499.066085	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+NH4+CF3COOH"	132.026685
"1645132"	504.02148	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+Na+CF3COOH"	136.98208
"1586252"	519.99542	"C06877"	"Cefaclor"	"C15H14ClN3O4S"	"367.0394"	"M+K+CF3COOH"	152.95602
"810058"	363.0889	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M"	0
"989311"	344.07051	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-H2O-H"	-19.01839
"78325"	241.051990666667	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M-3H"	-3.021828
"509215"	362.081624	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M-3H"	-3.021828
"893214"	120.022357333333	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-3H"	-3.021828
"11059"	362.081624	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M-2H"	-2.014552
"449525"	543.626074	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M-2H"	-2.014552
"829151"	180.537174	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-2H"	-2.014552
"86226"	725.170524	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M-H"	-1.007276
"524693"	1088.259424	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M-H"	-1.007276
"902494"	362.081624	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-H"	-1.007276
"53587"	742.197071	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M-2H+NH4"	16.019271
"498253"	1105.285971	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M-2H+NH4"	16.019271
"875323"	379.108171	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-2H+NH4"	16.019271
"32039"	747.152466	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M-2H+Na"	20.974666
"473063"	1110.241366	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M-2H+Na"	20.974666
"856213"	384.063566	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-2H+Na"	20.974666
"1623557"	384.063566	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Na-2H"	20.974666
"104103"	380.069963	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M-H+Cl"	33.962126
"547308"	561.614413	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M-H+Cl"	33.962126
"936812"	198.525513	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-H+Cl"	33.962126
"280718"	761.147202	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+Cl"	34.969402
"674605"	1124.236102	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+Cl"	34.969402
"1287253"	398.058302	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Cl"	34.969402
"30052"	763.126406	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M-2H+K"	36.948606
"467421"	1126.215306	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M-2H+K"	36.948606
"845952"	400.037506	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-2H+K"	36.948606
"1569803"	400.037506	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+K-2H"	36.948606
"956227"	408.087094	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-H+HCOOH"	44.998194
"375297"	771.176001	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+HCOOH-H"	44.998201
"355407"	785.191651	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+Hac-H"	59.013851
"1503146"	422.102751	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Hac-H"	59.013851
"970688"	430.069051	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-H+NaCOOH"	66.980151
"117407"	398.058302	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+2Cl"	69.938804
"556969"	579.602752	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+2Cl"	69.938804
"1031237"	216.513852	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2Cl"	69.938804
"1250815"	442.007785	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Br"	78.918885
"1312534"	444.063772	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Cl+HCOOH"	80.974872
"1331856"	466.045729	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Cl+NaCOOH"	102.956829
"921821"	476.074486	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M-H+CF3COOH"	112.985586
"1298530"	512.051164	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Cl+CF3COOH"	148.962264
"1377785"	328.076224	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H-2H2O"	-35.012676
"1393823"	346.0862	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H-H2O"	-17.0027
"289499"	727.185076	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+H"	1.007276
"679733"	1090.273976	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+H"	1.007276
"1356812"	364.096176	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H"	1.007276
"137726"	364.096176	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+2H"	2.014552
"570726"	545.640626	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+2H"	2.014552
"1047182"	182.551726	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2H"	2.014552
"217271"	243.066542666667	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+3H"	3.021828
"655736"	364.096176	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+3H"	3.021828
"1170580"	122.036909333333	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+3H"	3.021828
"438229"	744.211623	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+NH4"	18.033823
"791569"	1107.300523	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+NH4"	18.033823
"1695557"	381.122723	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+NH4"	18.033823
"341649"	372.6094495	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+H+NH4"	19.041099
"734074"	554.1538995	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+H+NH4"	19.041099
"1485707"	191.0649995	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H+NH4"	19.041099
"393812"	749.167018	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+Na"	22.989218
"764285"	1112.255918	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+Na"	22.989218
"1609103"	386.078118	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Na"	22.989218
"319140"	375.087147	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+H+Na"	23.996494
"711563"	556.631597	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+H+Na"	23.996494
"1473034"	193.542697	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H+Na"	23.996494
"1060812"	129.364223333333	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2H+Na"	25.00377
"1262492"	396.122386	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+CH3OH+H"	33.033486
"382161"	765.140958	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+K"	38.963158
"741336"	1128.229858	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+K"	38.963158
"1544118"	402.052058	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+K"	38.963158
"303480"	383.074117	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+H+K"	39.970434
"692620"	564.618567	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+H+K"	39.970434
"1447165"	201.529667	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H+K"	39.970434
"237956"	768.211626	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+ACN+H"	42.033826
"1218697"	405.122726	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+ACN+H"	42.033826
"1195409"	203.065001	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+ACN+2H"	43.041102
"195454"	771.14896	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+2Na-H"	44.97116
"633921"	1134.23786	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+2Na-H"	44.97116
"1137426"	408.06006	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2Na-H"	44.97116
"178167"	386.078118	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+2Na"	45.978436
"618088"	567.622568	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+2Na"	45.978436
"1117585"	204.533668	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2Na"	45.978436
"1407309"	136.691537333333	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H+2Na"	46.985712
"1438332"	410.101646	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H+HCOOH"	47.012746
"224746"	391.11114	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+3H2O+2H"	56.04448
"1516089"	424.15369	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+IsoProp+H"	61.06479
"410305"	394.065088	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+Na+K"	61.952376
"773124"	575.609538	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+Na+K"	61.952376
"1667635"	212.520638	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Na+K"	61.952376
"253064"	790.193568	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+ACN+Na"	64.015768
"1232337"	427.104668	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+ACN+Na"	64.015768
"1723410"	427.128193	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+NH4+HCOOH"	64.039293
"1181473"	144.018851333333	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+3Na"	68.967654
"1658658"	432.083588	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Na+HCOOH"	68.994688
"166615"	803.09684	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+2K-H"	76.91904
"608365"	1166.18574	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+2K-H"	76.91904
"1090687"	440.00794	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2K-H"	76.91904
"148597"	402.052058	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"2M+2K"	77.926316
"584875"	583.596508	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"3M+2K"	77.926316
"1070604"	220.507608	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2K"	77.926316
"1105880"	442.022492	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2K+H"	78.933592
"1347739"	442.110107	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+DMSO+H"	79.021207
"1019186"	446.149276	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2ACN+H"	83.060376
"1536946"	447.142908	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+IsoProp+Na+H"	84.054008
"1001936"	223.578276	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+2ACN+2H"	84.067652
"1600449"	448.057528	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+K+HCOOH"	84.968628
"1429856"	478.089038	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+H+CF3COOH"	115.000138
"1156761"	244.091551	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+3ACN+2H"	125.094202
"1709592"	495.115585	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+NH4+CF3COOH"	132.026685
"1641962"	500.07098	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+Na+CF3COOH"	136.98208
"1586362"	516.04492	"C06878"	"Cefadroxil"	"C16H17N3O5S"	"363.0889"	"M+K+CF3COOH"	152.95602
"810168"	462.078	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M"	0
"982614"	443.05961	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-H2O-H"	-19.01839
"77418"	307.044724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M-3H"	-3.021828
"516978"	461.070724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M-3H"	-3.021828
"892592"	153.018724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-3H"	-3.021828
"5700"	461.070724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M-2H"	-2.014552
"451822"	692.109724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M-2H"	-2.014552
"827438"	230.031724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-2H"	-2.014552
"83056"	923.148724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M-H"	-1.007276
"524803"	1385.226724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M-H"	-1.007276
"901510"	461.070724	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-H"	-1.007276
"55884"	940.175271	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M-2H+NH4"	16.019271
"496539"	1402.253271	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M-2H+NH4"	16.019271
"875434"	478.097271	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-2H+NH4"	16.019271
"36774"	945.130666	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M-2H+Na"	20.974666
"474146"	1407.208666	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M-2H+Na"	20.974666
"859605"	483.052666	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-2H+Na"	20.974666
"1625855"	483.052666	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Na-2H"	20.974666
"103483"	479.059063	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M-H+Cl"	33.962126
"545959"	710.098063	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M-H+Cl"	33.962126
"938743"	248.020063	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-H+Cl"	33.962126
"280584"	959.125402	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+Cl"	34.969402
"674717"	1421.203402	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+Cl"	34.969402
"1286996"	497.047402	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Cl"	34.969402
"30284"	961.104606	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M-2H+K"	36.948606
"467532"	1423.182606	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M-2H+K"	36.948606
"846792"	499.026606	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-2H+K"	36.948606
"1568455"	499.026606	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+K-2H"	36.948606
"955976"	507.076194	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-H+HCOOH"	44.998194
"376665"	969.154201	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+HCOOH-H"	44.998201
"360872"	983.169851	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+Hac-H"	59.013851
"1503257"	521.091851	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Hac-H"	59.013851
"967516"	529.058151	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-H+NaCOOH"	66.980151
"116062"	497.047402	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+2Cl"	69.938804
"555986"	728.086402	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+2Cl"	69.938804
"1030983"	266.008402	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2Cl"	69.938804
"1248739"	540.996885	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Br"	78.918885
"1313375"	543.052872	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Cl+HCOOH"	80.974872
"1331966"	565.034829	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Cl+NaCOOH"	102.956829
"920838"	575.063586	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M-H+CF3COOH"	112.985586
"1298276"	611.040264	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Cl+CF3COOH"	148.962264
"1377167"	427.065324	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H-2H2O"	-35.012676
"1391018"	445.0753	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H-H2O"	-17.0027
"288516"	925.163276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+H"	1.007276
"678750"	1387.241276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+H"	1.007276
"1356193"	463.085276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H"	1.007276
"135650"	463.085276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+2H"	2.014552
"570836"	694.124276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+2H"	2.014552
"1049479"	232.046276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2H"	2.014552
"218475"	309.059276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+3H"	3.021828
"655846"	463.085276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+3H"	3.021828
"1169597"	155.033276	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+3H"	3.021828
"437975"	942.189823	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+NH4"	18.033823
"794959"	1404.267823	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+NH4"	18.033823
"1685095"	480.111823	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+NH4"	18.033823
"343946"	471.5985495	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+H+NH4"	19.041099
"733086"	702.6375495	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+H+NH4"	19.041099
"1483263"	240.5595495	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H+NH4"	19.041099
"397203"	947.145218	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+Na"	22.989218
"761479"	1409.223218	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+Na"	22.989218
"1606297"	485.067218	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Na"	22.989218
"316335"	474.076247	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+H+Na"	23.996494
"712402"	705.115247	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+H+Na"	23.996494
"1470958"	243.037247	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H+Na"	23.996494
"1060925"	162.36059	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2H+Na"	25.00377
"1260416"	495.111486	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+CH3OH+H"	33.033486
"381178"	963.119158	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+K"	38.963158
"740714"	1425.197158	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+K"	38.963158
"1546415"	501.041158	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+K"	38.963158
"302497"	482.063217	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+H+K"	39.970434
"692366"	713.102217	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+H+K"	39.970434
"1446547"	251.024217	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H+K"	39.970434
"236366"	966.189826	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+ACN+H"	42.033826
"1217714"	504.111826	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+ACN+H"	42.033826
"1195273"	252.559551	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+ACN+2H"	43.041102
"195566"	969.12716	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+2Na-H"	44.97116
"635123"	1431.20516	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+2Na-H"	44.97116
"1138628"	507.04916	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2Na-H"	44.97116
"180096"	485.067218	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+2Na"	45.978436
"615282"	716.106218	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+2Na"	45.978436
"1117695"	254.028218	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2Na"	45.978436
"1407419"	169.687904	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H+2Na"	46.985712
"1439535"	509.090746	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H+HCOOH"	47.012746
"224491"	490.10024	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+3H2O+2H"	56.04448
"1514013"	523.14279	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+IsoProp+H"	61.06479
"413698"	493.054188	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+Na+K"	61.952376
"772870"	724.093188	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+Na+K"	61.952376
"1668475"	262.015188	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Na+K"	61.952376
"257550"	988.171768	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+ACN+Na"	64.015768
"1232447"	526.093768	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+ACN+Na"	64.015768
"1723520"	526.117293	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+NH4+HCOOH"	64.039293
"1185594"	177.015218	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+3Na"	68.967654
"1658768"	531.072688	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Na+HCOOH"	68.994688
"164538"	1001.07504	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+2K-H"	76.91904
"609930"	1463.15304	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+2K-H"	76.91904
"1090797"	538.99704	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2K-H"	76.91904
"146520"	501.041158	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"2M+2K"	77.926316
"586080"	732.080158	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"3M+2K"	77.926316
"1079341"	270.002158	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2K"	77.926316
"1109272"	541.011592	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2K+H"	78.933592
"1348214"	541.099207	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+DMSO+H"	79.021207
"1019541"	545.138376	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2ACN+H"	83.060376
"1536328"	546.132008	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+IsoProp+Na+H"	84.054008
"999858"	273.072826	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+2ACN+2H"	84.067652
"1596548"	547.046628	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+K+HCOOH"	84.968628
"1429134"	577.078138	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+H+CF3COOH"	115.000138
"1156871"	293.586101	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+3ACN+2H"	125.094202
"1707515"	594.104685	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+NH4+CF3COOH"	132.026685
"1647540"	599.06008	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+Na+CF3COOH"	136.98208
"1586472"	615.03402	"C06879"	"Cefamandole"	"C18H18N6O5S2"	"462.078"	"M+K+CF3COOH"	152.95602
"814653"	454.03	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M"	0
"989912"	435.01161	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-H2O-H"	-19.01839
"78560"	301.679390666667	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M-3H"	-3.021828
"518515"	453.022724	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M-3H"	-3.021828
"895215"	150.336057333333	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-3H"	-3.021828
"14924"	453.022724	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M-2H"	-2.014552
"454851"	680.037724	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M-2H"	-2.014552
"831922"	226.007724	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-2H"	-2.014552
"92279"	907.052724	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M-H"	-1.007276
"527101"	1361.082724	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M-H"	-1.007276
"905994"	453.022724	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-H"	-1.007276
"58182"	924.079271	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M-2H+NH4"	16.019271
"499565"	1378.109271	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M-2H+NH4"	16.019271
"878099"	470.049271	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-2H+NH4"	16.019271
"44540"	929.034666	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M-2H+Na"	20.974666
"475350"	1383.064666	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M-2H+Na"	20.974666
"855340"	475.004666	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-2H+Na"	20.974666
"1623779"	475.004666	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Na-2H"	20.974666
"103590"	471.011063	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M-H+Cl"	33.962126
"542057"	698.026063	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M-H+Cl"	33.962126
"939949"	243.996063	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-H+Cl"	33.962126
"282735"	943.029402	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+Cl"	34.969402
"675481"	1397.059402	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+Cl"	34.969402
"1287966"	488.999402	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Cl"	34.969402
"31275"	945.008606	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M-2H+K"	36.948606
"470687"	1399.038606	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M-2H+K"	36.948606
"848449"	490.978606	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-2H+K"	36.948606
"1570393"	490.978606	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+K-2H"	36.948606
"955722"	499.028194	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-H+HCOOH"	44.998194
"376842"	953.058201	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+HCOOH-H"	44.998201
"360615"	967.073851	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+Hac-H"	59.013851
"1503370"	513.043851	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Hac-H"	59.013851
"968722"	521.010151	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-H+NaCOOH"	66.980151
"120184"	488.999402	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+2Cl"	69.938804
"556098"	716.014402	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+2Cl"	69.938804
"1031095"	261.984402	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2Cl"	69.938804
"1253226"	532.948885	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Br"	78.918885
"1312392"	535.004872	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Cl+HCOOH"	80.974872
"1334266"	556.986829	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Cl+NaCOOH"	102.956829
"924233"	567.015586	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M-H+CF3COOH"	112.985586
"1301303"	602.992264	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Cl+CF3COOH"	148.962264
"1380558"	419.017324	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H-2H2O"	-35.012676
"1390764"	437.0273	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H-H2O"	-17.0027
"286440"	909.067276	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+H"	1.007276
"679954"	1363.097276	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+H"	1.007276
"1354117"	455.037276	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H"	1.007276
"135759"	455.037276	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+2H"	2.014552
"570947"	682.052276	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+2H"	2.014552
"1039744"	228.022276	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2H"	2.014552
"204728"	303.693942666667	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+3H"	3.021828
"645258"	455.037276	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+3H"	3.021828
"1163506"	152.350609333333	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+3H"	3.021828
"434073"	926.093823	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+NH4"	18.033823
"786440"	1380.123823	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+NH4"	18.033823
"1688123"	472.063823	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+NH4"	18.033823
"337495"	463.5505495	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+H+NH4"	19.041099
"728823"	690.5655495	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+H+NH4"	19.041099
"1483375"	236.5355495	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H+NH4"	19.041099
"400232"	931.049218	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+Na"	22.989218
"755392"	1385.079218	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+Na"	22.989218
"1603492"	477.019218	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Na"	22.989218
"319363"	466.028247	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+H+Na"	23.996494
"709960"	693.043247	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+H+Na"	23.996494
"1469977"	239.013247	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H+Na"	23.996494
"1059942"	159.677923333333	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2H+Na"	25.00377
"1259070"	487.063486	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+CH3OH+H"	33.033486
"378372"	947.023158	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+K"	38.963158
"741187"	1401.053158	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+K"	38.963158
"1542151"	492.993158	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+K"	38.963158
"299810"	474.015217	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+H+K"	39.970434
"692845"	701.030217	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+H+K"	39.970434
"1447028"	247.000217	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H+K"	39.970434
"237456"	950.093826	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+ACN+H"	42.033826
"1217824"	496.063826	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+ACN+H"	42.033826
"1194533"	248.535551	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+ACN+2H"	43.041102
"196767"	953.03116	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+2Na-H"	44.97116
"631222"	1407.06116	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+2Na-H"	44.97116
"1133390"	499.00116	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2Na-H"	44.97116
"174859"	477.019218	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+2Na"	45.978436
"614416"	704.034218	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+2Na"	45.978436
"1115736"	250.004218	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2Na"	45.978436
"1406437"	167.005237333333	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H+2Na"	46.985712
"1440740"	501.042746	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H+HCOOH"	47.012746
"227154"	482.05224	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+3H2O+2H"	56.04448
"1511937"	515.09479	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+IsoProp+H"	61.06479
"411622"	485.006188	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+Na+K"	61.952376
"776991"	712.021188	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+Na+K"	61.952376
"1666763"	257.991188	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Na+K"	61.952376
"255109"	972.075768	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+ACN+Na"	64.015768
"1230005"	518.045768	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+ACN+Na"	64.015768
"1721444"	518.069293	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+NH4+HCOOH"	64.039293
"1187892"	174.332551333333	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+3Na"	68.967654
"1662160"	523.024688	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Na+HCOOH"	68.994688
"167930"	984.97904	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+2K-H"	76.91904
"610408"	1439.00904	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+2K-H"	76.91904
"1095650"	530.94904	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2K-H"	76.91904
"154656"	492.993158	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"2M+2K"	77.926316
"594943"	720.008158	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"3M+2K"	77.926316
"1079089"	265.978158	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2K"	77.926316
"1109382"	532.963592	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2K+H"	78.933592
"1350273"	533.051207	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+DMSO+H"	79.021207
"1019772"	537.090376	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2ACN+H"	83.060376
"1537167"	538.084008	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+IsoProp+Na+H"	84.054008
"998876"	269.048826	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+2ACN+2H"	84.067652
"1598846"	538.998628	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+K+HCOOH"	84.968628
"1428152"	569.030138	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+H+CF3COOH"	115.000138
"1160262"	289.562101	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+3ACN+2H"	125.094202
"1705439"	586.056685	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+NH4+CF3COOH"	132.026685
"1645462"	591.01208	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+Na+CF3COOH"	136.98208
"1586582"	606.98602	"C06880"	"Cefazolin"	"C14H14N8O4S3"	"454.03"	"M+K+CF3COOH"	152.95602
"810388"	453.0413	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M"	0
"987207"	434.02291	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-H2O-H"	-19.01839
"72168"	301.020257333333	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M-3H"	-3.021828
"510635"	452.034024	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M-3H"	-3.021828
"885157"	150.006490666667	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-3H"	-3.021828
"10294"	452.034024	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M-2H"	-2.014552
"455204"	678.554674	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M-2H"	-2.014552
"830573"	225.513374	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-2H"	-2.014552
"89836"	905.075324	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M-H"	-1.007276
"527211"	1358.116624	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M-H"	-1.007276
"905011"	452.034024	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-H"	-1.007276
"53918"	922.101871	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M-2H+NH4"	16.019271
"499675"	1375.143171	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M-2H+NH4"	16.019271
"875657"	469.060571	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-2H+NH4"	16.019271
"41370"	927.057266	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M-2H+Na"	20.974666
"476553"	1380.098566	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M-2H+Na"	20.974666
"855450"	474.015966	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-2H+Na"	20.974666
"1624982"	474.015966	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Na-2H"	20.974666
"102607"	470.022363	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M-H+Cl"	33.962126
"542167"	696.543013	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M-H+Cl"	33.962126
"938964"	243.501713	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-H+Cl"	33.962126
"279344"	941.052002	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+Cl"	34.969402
"674684"	1394.093302	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+Cl"	34.969402
"1287949"	488.010702	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Cl"	34.969402
"31108"	943.031206	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M-2H+K"	36.948606
"470791"	1396.072506	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M-2H+K"	36.948606
"848105"	489.989906	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-2H+K"	36.948606
"1571219"	489.989906	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+K-2H"	36.948606
"958427"	498.039494	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-H+HCOOH"	44.998194
"376601"	951.080801	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+HCOOH-H"	44.998201
"360725"	965.096451	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+Hac-H"	59.013851
"1502385"	512.055151	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Hac-H"	59.013851
"966645"	520.021451	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-H+NaCOOH"	66.980151
"118834"	488.010702	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+2Cl"	69.938804
"556208"	714.531352	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+2Cl"	69.938804
"1031569"	261.490052	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2Cl"	69.938804
"1252242"	531.960185	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Br"	78.918885
"1309222"	534.016172	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Cl+HCOOH"	80.974872
"1334011"	555.998129	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Cl+NaCOOH"	102.956829
"925436"	566.026886	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M-H+CF3COOH"	112.985586
"1301777"	602.003564	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Cl+CF3COOH"	148.962264
"1379939"	418.028624	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H-2H2O"	-35.012676
"1391238"	436.0386	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H-H2O"	-17.0027
"287641"	907.089876	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+H"	1.007276
"681156"	1360.131176	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+H"	1.007276
"1355319"	454.048576	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H"	1.007276
"133680"	454.048576	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+2H"	2.014552
"572150"	680.569226	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+2H"	2.014552
"1039854"	227.527926	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2H"	2.014552
"206662"	303.034809333333	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+3H"	3.021828
"644880"	454.048576	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+3H"	3.021828
"1164349"	152.021042666667	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+3H"	3.021828
"434183"	924.116423	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+NH4"	18.033823
"786429"	1377.157723	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+NH4"	18.033823
"1688233"	471.075123	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+NH4"	18.033823
"337605"	462.5618495	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+H+NH4"	19.041099
"728568"	689.0824995	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+H+NH4"	19.041099
"1487130"	236.0411995	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H+NH4"	19.041099
"400342"	929.071818	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+Na"	22.989218
"756962"	1382.113118	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+Na"	22.989218
"1603601"	476.030518	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Na"	22.989218
"319474"	465.039547	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+H+Na"	23.996494
"707881"	691.560197	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+H+Na"	23.996494
"1468264"	238.518897	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H+Na"	23.996494
"1057866"	159.348356666667	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2H+Na"	25.00377
"1259541"	486.074786	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+CH3OH+H"	33.033486
"379576"	945.045758	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+K"	38.963158
"739476"	1398.087058	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+K"	38.963158
"1541532"	492.004458	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+K"	38.963158
"299437"	473.026517	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+H+K"	39.970434
"692955"	699.547167	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+H+K"	39.970434
"1447138"	246.505867	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H+K"	39.970434
"239755"	948.116426	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+ACN+H"	42.033826
"1212829"	495.075126	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+ACN+H"	42.033826
"1194210"	248.041201	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+ACN+2H"	43.041102
"195054"	951.05376	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+2Na-H"	44.97116
"630968"	1404.09506	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+2Na-H"	44.97116
"1132649"	498.01246	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2Na-H"	44.97116
"174848"	476.030518	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+2Na"	45.978436
"614162"	702.551168	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+2Na"	45.978436
"1115966"	249.509868	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2Na"	45.978436
"1406547"	166.675670666667	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H+2Na"	46.985712
"1440850"	500.054046	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H+HCOOH"	47.012746
"227264"	481.06354	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+3H2O+2H"	56.04448
"1512047"	514.10609	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+IsoProp+H"	61.06479
"413918"	484.017488	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+Na+K"	61.952376
"778194"	710.538138	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+Na+K"	61.952376
"1668331"	257.496838	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Na+K"	61.952376
"252301"	970.098368	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+ACN+Na"	64.015768
"1226834"	517.057068	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+ACN+Na"	64.015768
"1719002"	517.080593	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+NH4+HCOOH"	64.039293
"1188002"	174.002984666667	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+3Na"	68.967654
"1661177"	522.035988	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Na+HCOOH"	68.994688
"164757"	983.00164	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+2K-H"	76.91904
"609789"	1436.04294	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+2K-H"	76.91904
"1095760"	529.96034	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2K-H"	76.91904
"153305"	492.004458	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"2M+2K"	77.926316
"595539"	718.525108	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"3M+2K"	77.926316
"1080294"	265.483808	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2K"	77.926316
"1108398"	531.974892	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2K+H"	78.933592
"1347339"	532.062507	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+DMSO+H"	79.021207
"1018055"	536.101676	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2ACN+H"	83.060376
"1535453"	537.095308	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+IsoProp+Na+H"	84.054008
"1001172"	268.554476	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+2ACN+2H"	84.067652
"1595675"	538.009928	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+K+HCOOH"	84.968628
"1426803"	568.041438	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+H+CF3COOH"	115.000138
"1160372"	289.067751	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+3ACN+2H"	125.094202
"1708829"	585.067985	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+NH4+CF3COOH"	132.026685
"1645572"	590.02338	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+Na+CF3COOH"	136.98208
"1586692"	605.99732	"C06881"	"Cefixime"	"C16H15N5O7S2"	"453.0413"	"M+K+CF3COOH"	152.95602
"810498"	542.0348	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M"	0
"986224"	523.01641	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-H2O-H"	-19.01839
"70091"	360.349257333333	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M-3H"	-3.021828
"509652"	541.027524	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M-3H"	-3.021828
"885267"	179.670990666667	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-3H"	-3.021828
"8217"	541.027524	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M-2H"	-2.014552
"454220"	812.044924	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M-2H"	-2.014552
"829590"	270.010124	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-2H"	-2.014552
"88853"	1083.062324	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M-H"	-1.007276
"527321"	1625.097124	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M-H"	-1.007276
"905121"	541.027524	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-H"	-1.007276
"54028"	1100.088871	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M-2H+NH4"	16.019271
"499056"	1642.123671	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M-2H+NH4"	16.019271
"873580"	558.054071	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-2H+NH4"	16.019271
"39293"	1105.044266	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M-2H+Na"	20.974666
"476663"	1647.079066	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M-2H+Na"	20.974666
"855560"	563.009466	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-2H+Na"	20.974666
"1625092"	563.009466	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Na-2H"	20.974666
"103810"	559.015863	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M-H+Cl"	33.962126
"542277"	830.033263	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M-H+Cl"	33.962126
"937981"	287.998463	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-H+Cl"	33.962126
"278361"	1119.039002	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+Cl"	34.969402
"674552"	1661.073802	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+Cl"	34.969402
"1284643"	577.004202	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Cl"	34.969402
"29759"	1121.018206	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M-2H+K"	36.948606
"468957"	1663.053006	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M-2H+K"	36.948606
"846393"	578.983406	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-2H+K"	36.948606
"1569516"	578.983406	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+K-2H"	36.948606
"957035"	587.032994	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-H+HCOOH"	44.998194
"374889"	1129.067801	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+HCOOH-H"	44.998201
"359499"	1143.083451	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+Hac-H"	59.013851
"1503588"	601.048651	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Hac-H"	59.013851
"966755"	609.014951	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-H+NaCOOH"	66.980151
"118944"	577.004202	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+2Cl"	69.938804
"558505"	848.021602	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+2Cl"	69.938804
"1031679"	305.986802	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2Cl"	69.938804
"1249071"	620.953685	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Br"	78.918885
"1309332"	623.009672	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Cl+HCOOH"	80.974872
"1331203"	644.991629	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Cl+NaCOOH"	102.956829
"923359"	655.020386	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M-H+CF3COOH"	112.985586
"1298971"	690.997064	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Cl+CF3COOH"	148.962264
"1374946"	507.022124	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H-2H2O"	-35.012676
"1388068"	525.0321	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H-H2O"	-17.0027
"284471"	1085.076876	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+H"	1.007276
"679081"	1627.111676	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+H"	1.007276
"1352755"	543.042076	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H"	1.007276
"133790"	543.042076	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+2H"	2.014552
"574447"	814.059476	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+2H"	2.014552
"1042151"	272.024676	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2H"	2.014552
"207136"	362.363809333333	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+3H"	3.021828
"645599"	543.042076	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+3H"	3.021828
"1164459"	181.685542666667	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+3H"	3.021828
"437573"	1102.103423	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+NH4"	18.033823
"786660"	1644.138223	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+NH4"	18.033823
"1689432"	560.068623	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+NH4"	18.033823
"337715"	551.5553495	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+H+NH4"	19.041099
"732323"	822.5727495	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+H+NH4"	19.041099
"1482862"	280.5379495	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H+NH4"	19.041099
"401545"	1107.058818	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+Na"	22.989218
"757072"	1649.093618	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+Na"	22.989218
"1604439"	565.024018	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Na"	22.989218
"319584"	554.033047	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+H+Na"	23.996494
"710909"	825.050447	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+H+Na"	23.996494
"1467281"	283.015647	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H+Na"	23.996494
"1058340"	189.012856666667	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2H+Na"	25.00377
"1260746"	575.068286	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+CH3OH+H"	33.033486
"379320"	1123.032758	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+K"	38.963158
"739135"	1665.067558	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+K"	38.963158
"1541640"	580.997958	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+K"	38.963158
"299054"	562.020017	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+H+K"	39.970434
"693425"	833.037417	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+H+K"	39.970434
"1445786"	291.002617	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H+K"	39.970434
"235928"	1126.103426	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+ACN+H"	42.033826
"1209931"	584.068626	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+ACN+H"	42.033826
"1194314"	292.537951	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+ACN+2H"	43.041102
"188746"	1129.04076	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+2Na-H"	44.97116
"629492"	1671.07556	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+2Na-H"	44.97116
"1131824"	587.00596	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2Na-H"	44.97116
"172903"	565.024018	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+2Na"	45.978436
"615246"	836.041418	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+2Na"	45.978436
"1115914"	294.006618	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2Na"	45.978436
"1408842"	196.340170666667	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H+2Na"	46.985712
"1438773"	589.047546	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H+HCOOH"	47.012746
"226280"	570.05704	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+3H2O+2H"	56.04448
"1513250"	603.09959	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+IsoProp+H"	61.06479
"412935"	573.010988	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+Na+K"	61.952376
"777211"	844.028388	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+Na+K"	61.952376
"1667348"	301.993588	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Na+K"	61.952376
"252776"	1148.085368	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+ACN+Na"	64.015768
"1226092"	606.050568	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+ACN+Na"	64.015768
"1719112"	606.074093	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+NH4+HCOOH"	64.039293
"1187383"	203.667484666667	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+3Na"	68.967654
"1659100"	611.029488	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Na+HCOOH"	68.994688
"164867"	1160.98864	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+2K-H"	76.91904
"608442"	1703.02344	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+2K-H"	76.91904
"1092953"	618.95384	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2K-H"	76.91904
"151957"	580.997958	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"2M+2K"	77.926316
"592976"	852.015358	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"3M+2K"	77.926316
"1077853"	309.980558	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2K"	77.926316
"1105229"	620.968392	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2K+H"	78.933592
"1348542"	621.056007	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+DMSO+H"	79.021207
"1019258"	625.095176	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2ACN+H"	83.060376
"1536656"	626.088808	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+IsoProp+Na+H"	84.054008
"1001282"	313.051226	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+2ACN+2H"	84.067652
"1595785"	627.003428	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+K+HCOOH"	84.968628
"1426913"	657.034938	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+H+CF3COOH"	115.000138
"1160482"	333.564501	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+3ACN+2H"	125.094202
"1708939"	674.061485	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+NH4+CF3COOH"	132.026685
"1645682"	679.01688	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+Na+CF3COOH"	136.98208
"1586802"	694.99082	"C06882"	"Cefonicid"	"C18H18N6O8S3"	"542.0348"	"M+K+CF3COOH"	152.95602
"810608"	645.1424	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M"	0
"989754"	626.12401	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-H2O-H"	-19.01839
"76762"	429.087657333333	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M-3H"	-3.021828
"513042"	644.135124	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M-3H"	-3.021828
"890845"	214.040190666667	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-3H"	-3.021828
"8327"	644.135124	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M-2H"	-2.014552
"455061"	966.706324	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M-2H"	-2.014552
"832012"	321.563924	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-2H"	-2.014552
"90057"	1289.277524	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M-H"	-1.007276
"527431"	1934.419924	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M-H"	-1.007276
"908149"	644.135124	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-H"	-1.007276
"54138"	1306.304071	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M-2H+NH4"	16.019271
"498802"	1951.446471	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M-2H+NH4"	16.019271
"874783"	661.161671	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-2H+NH4"	16.019271
"39404"	1311.259466	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M-2H+Na"	20.974666
"482973"	1956.401866	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M-2H+Na"	20.974666
"854574"	666.117066	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-2H+Na"	20.974666
"1625201"	666.117066	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Na-2H"	20.974666
"105015"	662.123463	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M-H+Cl"	33.962126
"545669"	984.694663	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M-H+Cl"	33.962126
"936998"	339.552263	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-H+Cl"	33.962126
"277741"	1325.254202	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+Cl"	34.969402
"666883"	1970.396602	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+Cl"	34.969402
"1282566"	680.111802	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Cl"	34.969402
"29498"	1327.233406	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M-2H+K"	36.948606
"469799"	1972.375806	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M-2H+K"	36.948606
"846504"	682.091006	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-2H+K"	36.948606
"1569626"	682.091006	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+K-2H"	36.948606
"957390"	690.140594	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-H+HCOOH"	44.998194
"375364"	1335.283001	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+HCOOH-H"	44.998201
"358151"	1349.298651	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+Hac-H"	59.013851
"1505159"	704.156251	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Hac-H"	59.013851
"970145"	712.122551	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-H+NaCOOH"	66.980151
"121970"	680.111802	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+2Cl"	69.938804
"561895"	1002.683002	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+2Cl"	69.938804
"1031789"	357.540602	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2Cl"	69.938804
"1249181"	724.061285	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Br"	78.918885
"1312722"	726.117272	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Cl+HCOOH"	80.974872
"1331313"	748.099229	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Cl+NaCOOH"	102.956829
"924561"	758.127986	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M-H+CF3COOH"	112.985586
"1300175"	794.104664	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Cl+CF3COOH"	148.962264
"1378336"	610.129724	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H-2H2O"	-35.012676
"1391458"	628.1397	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H-H2O"	-17.0027
"288225"	1291.292076	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+H"	1.007276
"681377"	1936.434476	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+H"	1.007276
"1357724"	646.149676	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H"	1.007276
"133900"	646.149676	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+2H"	2.014552
"578931"	968.720876	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+2H"	2.014552
"1044448"	323.578476	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2H"	2.014552
"207975"	431.102209333333	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+3H"	3.021828
"644737"	646.149676	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+3H"	3.021828
"1164569"	216.054742666667	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+3H"	3.021828
"434403"	1308.318623	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+NH4"	18.033823
"786770"	1953.461023	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+NH4"	18.033823
"1691731"	663.176223	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+NH4"	18.033823
"338918"	654.6629495	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+H+NH4"	19.041099
"732433"	977.2341495	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+H+NH4"	19.041099
"1486252"	332.0917495	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H+NH4"	19.041099
"407488"	1313.274018	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+Na"	22.989218
"765929"	1958.416418	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+Na"	22.989218
"1607469"	668.131618	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Na"	22.989218
"324066"	657.140647	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+H+Na"	23.996494
"720861"	979.711847	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+H+Na"	23.996494
"1472495"	334.569447	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H+Na"	23.996494
"1061366"	223.382056666667	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2H+Na"	25.00377
"1261952"	678.175886	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+CH3OH+H"	33.033486
"379434"	1329.247958	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+K"	38.963158
"742615"	1974.390358	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+K"	38.963158
"1541390"	684.105558	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+K"	38.963158
"300752"	665.127617	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+H+K"	39.970434
"694267"	987.698817	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+H+K"	39.970434
"1448090"	342.556417	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H+K"	39.970434
"236695"	1332.318626	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+ACN+H"	42.033826
"1211591"	687.176226	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+ACN+H"	42.033826
"1194289"	344.091751	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+ACN+2H"	43.041102
"191262"	1335.25596	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+2Na-H"	44.97116
"630823"	1980.39836	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+2Na-H"	44.97116
"1132625"	690.11356	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2Na-H"	44.97116
"176524"	668.131618	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+2Na"	45.978436
"613655"	990.702818	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+2Na"	45.978436
"1116796"	345.560418	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2Na"	45.978436
"1400566"	230.709370666667	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H+2Na"	46.985712
"1431955"	692.155146	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H+HCOOH"	47.012746
"221041"	673.16464	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+3H2O+2H"	56.04448
"1515546"	706.20719	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+IsoProp+H"	61.06479
"417421"	676.118588	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+Na+K"	61.952376
"774408"	998.689788	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+Na+K"	61.952376
"1667458"	353.547388	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Na+K"	61.952376
"257625"	1354.300568	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+ACN+Na"	64.015768
"1234345"	709.158168	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+ACN+Na"	64.015768
"1719222"	709.181693	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+NH4+HCOOH"	64.039293
"1187493"	238.036684666667	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+3Na"	68.967654
"1654834"	714.137088	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Na+HCOOH"	68.994688
"167163"	1367.20384	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+2K-H"	76.91904
"605268"	2012.34624	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+2K-H"	76.91904
"1095613"	722.06144	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2K-H"	76.91904
"150607"	684.105558	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"2M+2K"	77.926316
"591989"	1006.676758	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"3M+2K"	77.926316
"1081239"	361.534358	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2K"	77.926316
"1110077"	724.075992	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2K+H"	78.933592
"1349993"	724.163607	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+DMSO+H"	79.021207
"1017181"	728.202776	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2ACN+H"	83.060376
"1537131"	729.196408	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+IsoProp+Na+H"	84.054008
"1001394"	364.605026	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+2ACN+2H"	84.067652
"1601363"	730.111028	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+K+HCOOH"	84.968628
"1427023"	760.142538	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+H+CF3COOH"	115.000138
"1160592"	385.118301	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+3ACN+2H"	125.094202
"1707956"	777.169085	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+NH4+CF3COOH"	132.026685
"1642512"	782.12448	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+Na+CF3COOH"	136.98208
"1586912"	798.09842	"C06883"	"Cefoperazone"	"C25H27N9O8S2"	"645.1424"	"M+K+CF3COOH"	152.95602
"810718"	519.0995	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M"	0
"986443"	500.08111	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-H2O-H"	-19.01839
"74686"	345.059057333333	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M-3H"	-3.021828
"513152"	518.092224	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M-3H"	-3.021828
"890955"	172.025890666667	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-3H"	-3.021828
"6249"	518.092224	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M-2H"	-2.014552
"441312"	777.641974	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M-2H"	-2.014552
"826892"	258.542474	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-2H"	-2.014552
"89803"	1037.191724	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M-H"	-1.007276
"532159"	1556.291224	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M-H"	-1.007276
"898780"	518.092224	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-H"	-1.007276
"54248"	1054.218271	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M-2H+NH4"	16.019271
"496361"	1573.317771	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M-2H+NH4"	16.019271
"875621"	535.118771	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-2H+NH4"	16.019271
"39514"	1059.173666	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M-2H+Na"	20.974666
"481625"	1578.273166	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M-2H+Na"	20.974666
"853591"	540.074166	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-2H+Na"	20.974666
"1623125"	540.074166	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Na-2H"	20.974666
"105125"	536.080563	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M-H+Cl"	33.962126
"545415"	795.630313	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M-H+Cl"	33.962126
"939295"	276.530813	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-H+Cl"	33.962126
"281131"	1073.168402	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+Cl"	34.969402
"669180"	1592.267902	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+Cl"	34.969402
"1284864"	554.068902	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Cl"	34.969402
"30340"	1075.147606	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M-2H+K"	36.948606
"470261"	1594.247106	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M-2H+K"	36.948606
"845519"	556.048106	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-2H+K"	36.948606
"1567183"	556.048106	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+K-2H"	36.948606
"955066"	564.097694	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-H+HCOOH"	44.998194
"375107"	1083.197201	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+HCOOH-H"	44.998201
"357165"	1097.212851	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+Hac-H"	59.013851
"1504902"	578.113351	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Hac-H"	59.013851
"972078"	586.079651	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-H+NaCOOH"	66.980151
"119164"	554.068902	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+2Cl"	69.938804
"561641"	813.618652	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+2Cl"	69.938804
"1029713"	294.519152	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2Cl"	69.938804
"1249292"	598.018385	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Br"	78.918885
"1312832"	600.074372	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Cl+HCOOH"	80.974872
"1331423"	622.056329	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Cl+NaCOOH"	102.956829
"922484"	632.085086	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M-H+CF3COOH"	112.985586
"1299192"	668.061764	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Cl+CF3COOH"	148.962264
"1375166"	484.086824	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H-2H2O"	-35.012676
"1388288"	502.0968	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H-H2O"	-17.0027
"286513"	1039.206276	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+H"	1.007276
"679302"	1558.305776	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+H"	1.007276
"1353463"	520.106776	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H"	1.007276
"130730"	520.106776	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+2H"	2.014552
"573574"	779.656526	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+2H"	2.014552
"1042370"	260.557026	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2H"	2.014552
"210271"	347.073609333333	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+3H"	3.021828
"646549"	520.106776	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+3H"	3.021828
"1164679"	174.040442666667	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+3H"	3.021828
"434513"	1056.232823	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+NH4"	18.033823
"787852"	1575.332323	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+NH4"	18.033823
"1683457"	537.133323	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+NH4"	18.033823
"340121"	528.6200495	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+H+NH4"	19.041099
"732543"	788.1697995	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+H+NH4"	19.041099
"1483082"	269.0702995	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H+NH4"	19.041099
"407235"	1061.188218	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+Na"	22.989218
"767132"	1580.287718	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+Na"	22.989218
"1605391"	542.088718	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Na"	22.989218
"319801"	531.097747	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+H+Na"	23.996494
"712588"	790.647497	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+H+Na"	23.996494
"1467502"	271.547997	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H+Na"	23.996494
"1061477"	181.367756666667	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2H+Na"	25.00377
"1264250"	552.132986	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+CH3OH+H"	33.033486
"379179"	1077.162158	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+K"	38.963158
"740539"	1596.261658	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+K"	38.963158
"1541500"	558.062658	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+K"	38.963158
"301956"	539.084717	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+H+K"	39.970434
"695471"	798.634467	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+H+K"	39.970434
"1448200"	279.534967	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H+K"	39.970434
"236318"	1080.232826	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+ACN+H"	42.033826
"1210972"	561.133326	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+ACN+H"	42.033826
"1195208"	281.070301	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+ACN+2H"	43.041102
"192465"	1083.17016	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+2Na-H"	44.97116
"634213"	1602.26966	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+2Na-H"	44.97116
"1132858"	564.07066	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2Na-H"	44.97116
"176634"	542.088718	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+2Na"	45.978436
"615101"	801.638468	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+2Na"	45.978436
"1116906"	282.538968	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2Na"	45.978436
"1399818"	188.695070666667	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H+2Na"	46.985712
"1433523"	566.112246	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H+HCOOH"	47.012746
"224674"	547.12174	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+3H2O+2H"	56.04448
"1515656"	580.16429	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+IsoProp+H"	61.06479
"417531"	550.075688	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+Na+K"	61.952376
"776339"	809.625438	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+Na+K"	61.952376
"1670485"	290.525938	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Na+K"	61.952376
"257735"	1102.214768	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+ACN+Na"	64.015768
"1227164"	583.115268	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+ACN+Na"	64.015768
"1712889"	583.138793	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+NH4+HCOOH"	64.039293
"1183957"	196.022384666667	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+3Na"	68.967654
"1649878"	588.094188	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Na+HCOOH"	68.994688
"162170"	1115.11804	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+2K-H"	76.91904
"601366"	1634.21754	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+2K-H"	76.91904
"1089888"	596.01854	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2K-H"	76.91904
"152538"	558.062658	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"2M+2K"	77.926316
"587722"	817.612408	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"3M+2K"	77.926316
"1071142"	298.512908	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2K"	77.926316
"1100461"	598.033092	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2K+H"	78.933592
"1346574"	598.120707	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+DMSO+H"	79.021207
"1017291"	602.159876	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2ACN+H"	83.060376
"1527400"	603.153508	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+IsoProp+Na+H"	84.054008
"994941"	301.583576	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+2ACN+2H"	84.067652
"1593818"	604.068128	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+K+HCOOH"	84.968628
"1420570"	634.099638	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+H+CF3COOH"	115.000138
"1153048"	322.096851	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+3ACN+2H"	125.094202
"1703692"	651.126185	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+NH4+CF3COOH"	132.026685
"1639342"	656.08158	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+Na+CF3COOH"	136.98208
"1573899"	672.05552	"C06884"	"Ceforanide"	"C20H21N7O6S2"	"519.0995"	"M+K+CF3COOH"	152.95602
"810828"	455.0569	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M"	0
"984366"	436.03851	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-H2O-H"	-19.01839
"74796"	302.363990666667	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M-3H"	-3.021828
"513262"	454.049624	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M-3H"	-3.021828
"887785"	150.678357333333	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-3H"	-3.021828
"5266"	454.049624	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M-2H"	-2.014552
"441666"	681.578074	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M-2H"	-2.014552
"828095"	226.521174	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-2H"	-2.014552
"92100"	909.106524	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M-H"	-1.007276
"530931"	1364.163424	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M-H"	-1.007276
"899983"	454.049624	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-H"	-1.007276
"54358"	926.133071	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M-2H+NH4"	16.019271
"490637"	1381.189971	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M-2H+NH4"	16.019271
"872814"	471.076171	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-2H+NH4"	16.019271
"39624"	931.088466	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M-2H+Na"	20.974666
"482099"	1386.145366	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M-2H+Na"	20.974666
"851878"	476.031566	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-2H+Na"	20.974666
"1624328"	476.031566	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Na-2H"	20.974666
"105600"	472.037963	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M-H+Cl"	33.962126
"545525"	699.566413	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M-H+Cl"	33.962126
"940498"	244.509513	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-H+Cl"	33.962126
"281241"	945.083202	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+Cl"	34.969402
"670383"	1400.140102	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+Cl"	34.969402
"1287770"	490.026302	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Cl"	34.969402
"29720"	947.062406	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M-2H+K"	36.948606
"467819"	1402.119306	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M-2H+K"	36.948606
"845629"	492.005506	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-2H+K"	36.948606
"1567293"	492.005506	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+K-2H"	36.948606
"956269"	500.055094	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-H+HCOOH"	44.998194
"375217"	955.112001	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+HCOOH-H"	44.998201
"357275"	969.127651	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+Hac-H"	59.013851
"1505377"	514.070751	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Hac-H"	59.013851
"969272"	522.037051	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-H+NaCOOH"	66.980151
"119274"	490.026302	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+2Cl"	69.938804
"562480"	717.554752	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+2Cl"	69.938804
"1028729"	262.497852	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2Cl"	69.938804
"1251588"	533.975785	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Br"	78.918885
"1309662"	536.031772	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Cl+HCOOH"	80.974872
"1332626"	558.013729	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Cl+NaCOOH"	102.956829
"922594"	568.042486	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M-H+CF3COOH"	112.985586
"1301124"	604.019164	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Cl+CF3COOH"	148.962264
"1371996"	420.044224	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H-2H2O"	-35.012676
"1384387"	438.0542	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H-H2O"	-17.0027
"286259"	911.121076	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+H"	1.007276
"680503"	1366.177976	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+H"	1.007276
"1354665"	456.064176	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H"	1.007276
"130840"	456.064176	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+2H"	2.014552
"573684"	683.592626	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+2H"	2.014552
"1042480"	228.535726	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2H"	2.014552
"210381"	304.378542666667	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+3H"	3.021828
"646659"	456.064176	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+3H"	3.021828
"1163696"	152.692909333333	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+3H"	3.021828
"432436"	928.147623	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+NH4"	18.033823
"787962"	1383.204523	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+NH4"	18.033823
"1685753"	473.090723	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+NH4"	18.033823
"341324"	464.5774495	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+H+NH4"	19.041099
"733746"	692.1058995	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+H+NH4"	19.041099
"1486472"	237.0489995	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H+NH4"	19.041099
"400777"	933.103018	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+Na"	22.989218
"765055"	1388.159918	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+Na"	22.989218
"1607689"	478.046118	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Na"	22.989218
"319912"	467.055147	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+H+Na"	23.996494
"715614"	694.583597	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+H+Na"	23.996494
"1469435"	239.526697	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H+Na"	23.996494
"1060494"	160.020223333333	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2H+Na"	25.00377
"1263266"	488.090386	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+CH3OH+H"	33.033486
"380747"	949.076958	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+K"	38.963158
"739677"	1404.133858	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+K"	38.963158
"1540151"	494.020058	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+K"	38.963158
"299880"	475.042117	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+H+K"	39.970434
"693029"	702.570567	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+H+K"	39.970434
"1445878"	247.513667	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H+K"	39.970434
"236063"	952.147626	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+ACN+H"	42.033826
"1211932"	497.090726	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+ACN+H"	42.033826
"1194961"	249.049001	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+ACN+2H"	43.041102
"191847"	955.08496	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+2Na-H"	44.97116
"634689"	1410.14186	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+2Na-H"	44.97116
"1134306"	500.02806	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2Na-H"	44.97116
"178204"	478.046118	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+2Na"	45.978436
"615211"	705.574568	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+2Na"	45.978436
"1117987"	250.517668	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2Na"	45.978436
"1400415"	167.347537333333	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H+2Na"	46.985712
"1432539"	502.069646	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H+HCOOH"	47.012746
"223691"	483.07914	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+3H2O+2H"	56.04448
"1516859"	516.12169	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+IsoProp+H"	61.06479
"417641"	486.033088	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+Na+K"	61.952376
"776448"	713.561538	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+Na+K"	61.952376
"1667312"	258.504638	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Na+K"	61.952376
"256387"	974.129568	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+ACN+Na"	64.015768
"1229826"	519.072668	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+ACN+Na"	64.015768
"1713974"	519.096193	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+NH4+HCOOH"	64.039293
"1179449"	174.674851333333	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+3Na"	68.967654
"1650349"	524.051588	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Na+HCOOH"	68.994688
"157658"	987.03284	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+2K-H"	76.91904
"600018"	1442.08974	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+2K-H"	76.91904
"1085988"	531.97594	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2K-H"	76.91904
"151553"	494.020058	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"2M+2K"	77.926316
"590019"	721.548508	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"3M+2K"	77.926316
"1070278"	266.491608	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2K"	77.926316
"1100931"	533.990492	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2K+H"	78.933592
"1346684"	534.078107	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+DMSO+H"	79.021207
"1018130"	538.117276	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2ACN+H"	83.060376
"1525688"	539.110908	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+IsoProp+Na+H"	84.054008
"993958"	269.562276	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+2ACN+2H"	84.067652
"1592835"	540.025528	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+K+HCOOH"	84.968628
"1420680"	570.057038	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+H+CF3COOH"	115.000138
"1152065"	290.075551	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+3ACN+2H"	125.094202
"1702709"	587.083585	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+NH4+CF3COOH"	132.026685
"1639452"	592.03898	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+Na+CF3COOH"	136.98208
"1574009"	608.01292	"C06885"	"Cefotaxime"	"C16H17N5O7S2"	"455.0569"	"M+K+CF3COOH"	152.95602
"809845"	575.0021	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M"	0
"989757"	555.98371	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-H2O-H"	-19.01839
"78186"	382.327457333333	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M-3H"	-3.021828
"518357"	573.994824	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M-3H"	-3.021828
"892269"	190.660090666667	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-3H"	-3.021828
"8656"	573.994824	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M-2H"	-2.014552
"449309"	861.495874	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M-2H"	-2.014552
"830028"	286.493774	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-2H"	-2.014552
"91846"	1148.996924	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M-H"	-1.007276
"532864"	1723.999024	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M-H"	-1.007276
"903373"	573.994824	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-H"	-1.007276
"54468"	1166.023471	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M-2H+NH4"	16.019271
"496214"	1741.025571	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M-2H+NH4"	16.019271
"874747"	591.021371	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-2H+NH4"	16.019271
"39733"	1170.978866	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M-2H+Na"	20.974666
"480384"	1745.980966	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M-2H+Na"	20.974666
"851624"	595.976766	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-2H+Na"	20.974666
"1624438"	595.976766	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Na-2H"	20.974666
"105710"	591.983163	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M-H+Cl"	33.962126
"545635"	879.484213	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M-H+Cl"	33.962126
"938422"	304.482113	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-H+Cl"	33.962126
"280258"	1184.973602	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+Cl"	34.969402
"673773"	1759.975702	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+Cl"	34.969402
"1286907"	609.971502	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Cl"	34.969402
"28736"	1186.952806	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M-2H+K"	36.948606
"465742"	1761.954906	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M-2H+K"	36.948606
"845003"	611.950706	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-2H+K"	36.948606
"1570563"	611.950706	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+K-2H"	36.948606
"956380"	620.000294	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-H+HCOOH"	44.998194
"374598"	1195.002401	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+HCOOH-H"	44.998201
"356292"	1209.018051	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+Hac-H"	59.013851
"1505851"	634.015951	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Hac-H"	59.013851
"969382"	641.982251	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-H+NaCOOH"	66.980151
"122300"	609.971502	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+2Cl"	69.938804
"562590"	897.472552	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+2Cl"	69.938804
"1027746"	322.470452	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2Cl"	69.938804
"1249512"	653.920985	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Br"	78.918885
"1309772"	655.976972	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Cl+HCOOH"	80.974872
"1331643"	677.958929	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Cl+NaCOOH"	102.956829
"918328"	687.987686	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M-H+CF3COOH"	112.985586
"1298318"	723.964364	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Cl+CF3COOH"	148.962264
"1372106"	539.989424	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H-2H2O"	-35.012676
"1384133"	557.9994	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H-H2O"	-17.0027
"284911"	1151.011476	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+H"	1.007276
"680612"	1726.013576	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+H"	1.007276
"1352587"	576.009376	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H"	1.007276
"130950"	576.009376	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+2H"	2.014552
"571607"	863.510426	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+2H"	2.014552
"1041497"	288.508326	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2H"	2.014552
"209398"	384.342009333333	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+3H"	3.021828
"645676"	576.009376	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+3H"	3.021828
"1163806"	192.674642666667	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+3H"	3.021828
"431453"	1168.038023	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+NH4"	18.033823
"788436"	1743.040123	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+NH4"	18.033823
"1685863"	593.035923	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+NH4"	18.033823
"338154"	584.5226495	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+H+NH4"	19.041099
"733856"	872.0236995	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+H+NH4"	19.041099
"1484396"	297.0215995	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H+NH4"	19.041099
"400887"	1172.993418	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+Na"	22.989218
"767352"	1747.995518	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+Na"	22.989218
"1607799"	597.991318	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Na"	22.989218
"318927"	587.000347	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+H+Na"	23.996494
"717911"	874.501397	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+H+Na"	23.996494
"1468451"	299.499297	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H+Na"	23.996494
"1056593"	200.001956666667	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2H+Na"	25.00377
"1261553"	608.035586	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+CH3OH+H"	33.033486
"379765"	1188.967358	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+K"	38.963158
"739666"	1763.969458	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+K"	38.963158
"1540071"	613.965258	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+K"	38.963158
"300354"	594.987317	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+H+K"	39.970434
"692774"	882.488367	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+H+K"	39.970434
"1446960"	307.486267	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H+K"	39.970434
"237020"	1192.038026	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+ACN+H"	42.033826
"1210825"	617.035926	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+ACN+H"	42.033826
"1195801"	309.021601	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+ACN+2H"	43.041102
"190864"	1194.97536	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+2Na-H"	44.97116
"636986"	1769.97746	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+2Na-H"	44.97116
"1132834"	619.97326	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2Na-H"	44.97116
"178677"	597.991318	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+2Na"	45.978436
"615320"	885.492368	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+2Na"	45.978436
"1116272"	310.490268	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2Na"	45.978436
"1399310"	207.329270666667	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H+2Na"	46.985712
"1433009"	622.014846	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H+HCOOH"	47.012746
"222704"	603.02434	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+3H2O+2H"	56.04448
"1513686"	636.06689	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+IsoProp+H"	61.06479
"411185"	605.978288	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+Na+K"	61.952376
"771452"	893.479338	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+Na+K"	61.952376
"1669609"	318.477238	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Na+K"	61.952376
"257955"	1214.019968	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+ACN+Na"	64.015768
"1231029"	639.017868	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+ACN+Na"	64.015768
"1716271"	639.041393	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+NH4+HCOOH"	64.039293
"1182355"	214.656584666667	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+3Na"	68.967654
"1650703"	643.996788	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Na+HCOOH"	68.994688
"158132"	1226.92324	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+2K-H"	76.91904
"600492"	1801.92534	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+2K-H"	76.91904
"1086828"	651.92114	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2K-H"	76.91904
"151663"	613.965258	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"2M+2K"	77.926316
"591223"	901.466308	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"3M+2K"	77.926316
"1076827"	326.464208	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2K"	77.926316
"1100921"	653.935692	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2K+H"	78.933592
"1347888"	654.023307	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+DMSO+H"	79.021207
"1018604"	658.062476	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2ACN+H"	83.060376
"1527012"	659.056108	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+IsoProp+Na+H"	84.054008
"996255"	329.534876	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+2ACN+2H"	84.067652
"1592945"	659.970728	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+K+HCOOH"	84.968628
"1420790"	690.002238	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+H+CF3COOH"	115.000138
"1154362"	350.048151	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+3ACN+2H"	125.094202
"1702819"	707.028785	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+NH4+CF3COOH"	132.026685
"1639562"	711.98418	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+Na+CF3COOH"	136.98208
"1572296"	727.95812	"C06886"	"Cefotetan"	"C17H17N7O8S4"	"575.0021"	"M+K+CF3COOH"	152.95602
"811048"	427.0508	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M"	0
"986773"	408.03241	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-H2O-H"	-19.01839
"73923"	283.693257333333	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M-3H"	-3.021828
"512389"	426.043524	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M-3H"	-3.021828
"893838"	141.342990666667	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-3H"	-3.021828
"11319"	426.043524	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M-2H"	-2.014552
"450513"	639.568924	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M-2H"	-2.014552
"830139"	212.518124	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-2H"	-2.014552
"93050"	853.094324	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M-H"	-1.007276
"531151"	1280.145124	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M-H"	-1.007276
"907859"	426.043524	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-H"	-1.007276
"59318"	870.120871	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M-2H+NH4"	16.019271
"490857"	1297.171671	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M-2H+NH4"	16.019271
"872670"	443.070071	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-2H+NH4"	16.019271
"39843"	875.076266	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M-2H+Na"	20.974666
"480494"	1302.127066	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M-2H+Na"	20.974666
"853922"	448.025466	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-2H+Na"	20.974666
"1623455"	448.025466	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Na-2H"	20.974666
"105455"	444.031863	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M-H+Cl"	33.962126
"543922"	657.557263	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M-H+Cl"	33.962126
"939262"	230.506463	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-H+Cl"	33.962126
"281342"	889.071002	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+Cl"	34.969402
"672790"	1316.121802	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+Cl"	34.969402
"1286288"	462.020202	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Cl"	34.969402
"27753"	891.050206	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M-2H+K"	36.948606
"465852"	1318.101006	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M-2H+K"	36.948606
"844020"	463.999406	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-2H+K"	36.948606
"1567508"	463.999406	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+K-2H"	36.948606
"957221"	472.048994	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-H+HCOOH"	44.998194
"375436"	899.099801	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+HCOOH-H"	44.998201
"359322"	913.115451	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+Hac-H"	59.013851
"1504871"	486.064651	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Hac-H"	59.013851
"967305"	494.030951	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-H+NaCOOH"	66.980151
"122049"	462.020202	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+2Cl"	69.938804
"561242"	675.545602	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+2Cl"	69.938804
"1030043"	248.494802	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2Cl"	69.938804
"1254727"	505.969685	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Br"	78.918885
"1310975"	508.025672	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Cl+HCOOH"	80.974872
"1331753"	530.007629	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Cl+NaCOOH"	102.956829
"918438"	540.036386	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M-H+CF3COOH"	112.985586
"1300616"	576.013064	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Cl+CF3COOH"	148.962264
"1374405"	392.038124	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H-2H2O"	-35.012676
"1388619"	410.0481	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H-H2O"	-17.0027
"285387"	855.108876	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+H"	1.007276
"680723"	1282.159676	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+H"	1.007276
"1354519"	428.058076	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H"	1.007276
"134345"	428.058076	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+2H"	2.014552
"573905"	641.583476	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+2H"	2.014552
"1042704"	214.532676	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2H"	2.014552
"210601"	285.707809333333	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+3H"	3.021828
"644693"	428.058076	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+3H"	3.021828
"1169384"	143.357542666667	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+3H"	3.021828
"431563"	872.135423	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+NH4"	18.033823
"788546"	1299.186223	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+NH4"	18.033823
"1682693"	445.084623	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+NH4"	18.033823
"340453"	436.5713495	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+H+NH4"	19.041099
"732873"	650.0967495	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+H+NH4"	19.041099
"1483413"	223.0459495	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H+NH4"	19.041099
"399904"	877.090818	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+Na"	22.989218
"766369"	1304.141618	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+Na"	22.989218
"1607909"	450.040018	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Na"	22.989218
"319038"	439.049047	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+H+Na"	23.996494
"712554"	652.574447	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+H+Na"	23.996494
"1467467"	225.523647	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H+Na"	23.996494
"1057432"	150.684856666667	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2H+Na"	25.00377
"1262392"	460.084286	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+CH3OH+H"	33.033486
"379873"	893.064758	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+K"	38.963158
"741963"	1320.115558	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+K"	38.963158
"1541102"	466.013958	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+K"	38.963158
"298840"	447.036017	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+H+K"	39.970434
"692520"	660.561417	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+H+K"	39.970434
"1446099"	233.510617	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H+K"	39.970434
"236400"	896.135426	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+ACN+H"	42.033826
"1210571"	469.084626	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+ACN+H"	42.033826
"1195549"	235.045951	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+ACN+2H"	43.041102
"196444"	899.07276	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+2Na-H"	44.97116
"630535"	1326.12356	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+2Na-H"	44.97116
"1132580"	472.02196	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2Na-H"	44.97116
"178425"	450.040018	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+2Na"	45.978436
"615801"	663.565418	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+2Na"	45.978436
"1118573"	236.514618	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2Na"	45.978436
"1399298"	158.012170666667	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H+2Na"	46.985712
"1432758"	474.063546	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H+HCOOH"	47.012746
"225734"	455.07304	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+3H2O+2H"	56.04448
"1515984"	488.11559	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+IsoProp+H"	61.06479
"410203"	458.026988	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+Na+K"	61.952376
"770510"	671.552388	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+Na+K"	61.952376
"1667533"	244.501588	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Na+K"	61.952376
"255513"	918.117368	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+ACN+Na"	64.015768
"1228589"	491.066568	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+ACN+Na"	64.015768
"1716746"	491.090093	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+NH4+HCOOH"	64.039293
"1181007"	165.339484666667	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+3Na"	68.967654
"1654546"	496.045488	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Na+HCOOH"	68.994688
"162864"	931.02064	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+2K-H"	76.91904
"602791"	1358.07144	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+2K-H"	76.91904
"1089490"	503.96984	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2K-H"	76.91904
"152867"	466.013958	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"2M+2K"	77.926316
"591333"	679.539358	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"3M+2K"	77.926316
"1076937"	252.488558	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2K"	77.926316
"1100544"	505.984392	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2K+H"	78.933592
"1343254"	506.072007	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+DMSO+H"	79.021207
"1019443"	510.111176	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2ACN+H"	83.060376
"1531010"	511.104808	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+IsoProp+Na+H"	84.054008
"998552"	255.559226	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+2ACN+2H"	84.067652
"1599615"	512.019428	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+K+HCOOH"	84.968628
"1420900"	542.050938	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+H+CF3COOH"	115.000138
"1158845"	276.072501	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+3ACN+2H"	125.094202
"1702929"	559.077485	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+NH4+CF3COOH"	132.026685
"1639672"	564.03288	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+Na+CF3COOH"	136.98208
"1572770"	580.00682	"C06887"	"Cefoxitin"	"C16H17N3O7S2"	"427.0508"	"M+K+CF3COOH"	152.95602
"811158"	389.1045	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M"	0
"979221"	370.08611	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-H2O-H"	-19.01839
"75122"	258.395724	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M-3H"	-3.021828
"514685"	388.097224	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M-3H"	-3.021828
"891394"	128.694224	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-3H"	-3.021828
"9970"	388.097224	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M-2H"	-2.014552
"450623"	582.649474	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M-2H"	-2.014552
"828061"	193.544974	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-2H"	-2.014552
"93283"	777.201724	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M-H"	-1.007276
"531871"	1166.306224	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M-H"	-1.007276
"907604"	388.097224	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-H"	-1.007276
"59792"	794.228271	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M-2H+NH4"	16.019271
"494246"	1183.332771	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M-2H+NH4"	16.019271
"874237"	405.123771	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-2H+NH4"	16.019271
"42139"	799.183666	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M-2H+Na"	20.974666
"481697"	1188.288166	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M-2H+Na"	20.974666
"854031"	410.079166	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-2H+Na"	20.974666
"1624657"	410.079166	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Na-2H"	20.974666
"108723"	406.085563	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M-H+Cl"	33.962126
"546218"	600.637813	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M-H+Cl"	33.962126
"941560"	211.533313	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-H+Cl"	33.962126
"278291"	813.178402	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+Cl"	34.969402
"668526"	1202.282902	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+Cl"	34.969402
"1284939"	424.073902	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Cl"	34.969402
"24580"	815.157606	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M-2H+K"	36.948606
"465232"	1204.262106	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M-2H+K"	36.948606
"843036"	426.053106	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-2H+K"	36.948606
"1569440"	426.053106	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+K-2H"	36.948606
"957697"	434.102694	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-H+HCOOH"	44.998194
"375788"	823.207201	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+HCOOH-H"	44.998201
"358702"	837.222851	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+Hac-H"	59.013851
"1506803"	448.118351	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Hac-H"	59.013851
"968144"	456.084651	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-H+NaCOOH"	66.980151
"124224"	424.073902	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+2Cl"	69.938804
"562810"	618.626152	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+2Cl"	69.938804
"1032339"	229.521652	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2Cl"	69.938804
"1252647"	468.023385	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Br"	78.918885
"1309992"	470.079372	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Cl+HCOOH"	80.974872
"1329676"	492.061329	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Cl+NaCOOH"	102.956829
"915268"	502.090086	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M-H+CF3COOH"	112.985586
"1300726"	538.066764	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Cl+CF3COOH"	148.962264
"1376701"	354.091824	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H-2H2O"	-35.012676
"1388729"	372.1018	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H-H2O"	-17.0027
"288412"	779.216276	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+H"	1.007276
"680833"	1168.320776	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+H"	1.007276
"1354994"	390.111776	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H"	1.007276
"136641"	390.111776	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+2H"	2.014552
"575108"	584.664026	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+2H"	2.014552
"1045000"	195.559526	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2H"	2.014552
"209618"	260.410276	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+3H"	3.021828
"647353"	390.111776	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+3H"	3.021828
"1170587"	130.708776	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+3H"	3.021828
"430579"	796.242823	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+NH4"	18.033823
"788655"	1185.347323	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+NH4"	18.033823
"1682803"	407.138323	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+NH4"	18.033823
"340563"	398.6250495	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+H+NH4"	19.041099
"735171"	593.1772995	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+H+NH4"	19.041099
"1484616"	204.0727995	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H+NH4"	19.041099
"400014"	801.198218	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+Na"	22.989218
"765385"	1190.302718	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+Na"	22.989218
"1611302"	412.093718	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Na"	22.989218
"319148"	401.102747	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+H+Na"	23.996494
"714851"	595.654997	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+H+Na"	23.996494
"1470856"	206.550497	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H+Na"	23.996494
"1057542"	138.03609	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2H+Na"	25.00377
"1265782"	422.137986	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+CH3OH+H"	33.033486
"382170"	817.172158	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+K"	38.963158
"742073"	1206.276658	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+K"	38.963158
"1544127"	428.067658	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+K"	38.963158
"302396"	409.089717	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+H+K"	39.970434
"694816"	603.641967	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+H+K"	39.970434
"1447547"	214.537467	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H+K"	39.970434
"238697"	820.242826	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+ACN+H"	42.033826
"1212136"	431.138326	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+ACN+H"	42.033826
"1195293"	216.072801	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+ACN+2H"	43.041102
"198740"	823.18016	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+2Na-H"	44.97116
"631373"	1212.28466	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+2Na-H"	44.97116
"1132690"	434.07566	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2Na-H"	44.97116
"177442"	412.093718	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+2Na"	45.978436
"617004"	606.645968	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+2Na"	45.978436
"1118681"	217.541468	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2Na"	45.978436
"1400383"	145.363404	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H+2Na"	46.985712
"1433961"	436.117246	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H+HCOOH"	47.012746
"226939"	417.12674	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+3H2O+2H"	56.04448
"1520469"	450.16929	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+IsoProp+H"	61.06479
"416875"	420.080688	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+Na+K"	61.952376
"771673"	614.632938	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+Na+K"	61.952376
"1670923"	225.528438	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Na+K"	61.952376
"255257"	842.224768	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+ACN+Na"	64.015768
"1229062"	453.120268	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+ACN+Na"	64.015768
"1713573"	453.143793	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+NH4+HCOOH"	64.039293
"1180385"	152.690718	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+3Na"	68.967654
"1651737"	458.099188	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Na+HCOOH"	68.994688
"161879"	855.12804	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+2K-H"	76.91904
"601806"	1244.23254	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+2K-H"	76.91904
"1086320"	466.02354	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2K-H"	76.91904
"149332"	428.067658	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"2M+2K"	77.926316
"591806"	622.619908	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"3M+2K"	77.926316
"1073766"	233.515408	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2K"	77.926316
"1100775"	468.038092	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2K+H"	78.933592
"1341177"	468.125707	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+DMSO+H"	79.021207
"1016272"	472.164876	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2ACN+H"	83.060376
"1531120"	473.158508	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+IsoProp+Na+H"	84.054008
"998662"	236.586076	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+2ACN+2H"	84.067652
"1598631"	474.073128	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+K+HCOOH"	84.968628
"1421010"	504.104638	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+H+CF3COOH"	115.000138
"1158955"	257.099351	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+3ACN+2H"	125.094202
"1701946"	521.131185	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+NH4+CF3COOH"	132.026685
"1639782"	526.08658	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+Na+CF3COOH"	136.98208
"1571787"	542.06052	"C06888"	"Cefprozil;Cefprozil anhydrous"	"C18H19N3O5S"	"389.1045"	"M+K+CF3COOH"	152.95602
"810175"	546.0991	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M"	0
"976052"	527.08071	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-H2O-H"	-19.01839
"75232"	363.058790666667	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M-3H"	-3.021828
"514796"	545.091824	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M-3H"	-3.021828
"891504"	181.025757333333	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-3H"	-3.021828
"8987"	545.091824	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M-2H"	-2.014552
"451463"	818.141374	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M-2H"	-2.014552
"827442"	272.042274	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-2H"	-2.014552
"92542"	1091.190924	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M-H"	-1.007276
"532831"	1637.290024	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M-H"	-1.007276
"905891"	545.091824	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-H"	-1.007276
"60995"	1108.217471	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M-2H+NH4"	16.019271
"493263"	1654.316571	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M-2H+NH4"	16.019271
"875439"	562.118371	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-2H+NH4"	16.019271
"42249"	1113.172866	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M-2H+Na"	20.974666
"481807"	1659.271966	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M-2H+Na"	20.974666
"854141"	567.073766	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-2H+Na"	20.974666
"1623674"	567.073766	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Na-2H"	20.974666
"107496"	563.080163	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M-H+Cl"	33.962126
"548029"	836.129713	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M-H+Cl"	33.962126
"937658"	290.030613	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-H+Cl"	33.962126
"277307"	1127.167602	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+Cl"	34.969402
"668636"	1673.266702	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+Cl"	34.969402
"1282133"	581.068502	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Cl"	34.969402
"23596"	1129.146806	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M-2H+K"	36.948606
"460968"	1675.245906	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M-2H+K"	36.948606
"840959"	583.047706	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-2H+K"	36.948606
"1561167"	583.047706	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+K-2H"	36.948606
"954527"	591.097294	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-H+HCOOH"	44.998194
"373465"	1137.196401	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+HCOOH-H"	44.998201
"359539"	1151.212051	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+Hac-H"	59.013851
"1506181"	605.112951	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Hac-H"	59.013851
"960964"	613.079251	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-H+NaCOOH"	66.980151
"119714"	581.068502	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+2Cl"	69.938804
"560368"	854.118052	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+2Cl"	69.938804
"1025888"	308.018952	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2Cl"	69.938804
"1253121"	625.017985	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Br"	78.918885
"1312288"	627.073972	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Cl+HCOOH"	80.974872
"1333066"	649.055929	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Cl+NaCOOH"	102.956829
"916833"	659.084686	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M-H+CF3COOH"	112.985586
"1299741"	695.061364	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Cl+CF3COOH"	148.962264
"1376811"	511.086424	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H-2H2O"	-35.012676
"1387014"	529.0964	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H-H2O"	-17.0027
"283903"	1093.205476	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+H"	1.007276
"678756"	1639.304576	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+H"	1.007276
"1352188"	547.106376	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H"	1.007276
"138937"	547.106376	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+2H"	2.014552
"577405"	820.155926	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+2H"	2.014552
"1045110"	274.056826	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2H"	2.014552
"209728"	365.073342666667	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+3H"	3.021828
"646369"	547.106376	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+3H"	3.021828
"1169604"	183.040309333333	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+3H"	3.021828
"427772"	1110.232023	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+NH4"	18.033823
"787672"	1656.331123	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+NH4"	18.033823
"1684007"	564.132923	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+NH4"	18.033823
"339580"	555.6196495	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+H+NH4"	19.041099
"732001"	828.6691995	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+H+NH4"	19.041099
"1484726"	282.5700995	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H+NH4"	19.041099
"399031"	1115.187418	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+Na"	22.989218
"760028"	1661.286518	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+Na"	22.989218
"1611411"	569.088318	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Na"	22.989218
"319263"	558.097347	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+H+Na"	23.996494
"714963"	831.146897	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+H+Na"	23.996494
"1464407"	285.047797	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H+Na"	23.996494
"1054371"	190.367623333333	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2H+Na"	25.00377
"1262612"	579.132586	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+CH3OH+H"	33.033486
"383374"	1131.161358	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+K"	38.963158
"738694"	1677.260458	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+K"	38.963158
"1543143"	585.062258	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+K"	38.963158
"300320"	566.084317	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+H+K"	39.970434
"694929"	839.133867	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+H+K"	39.970434
"1447774"	293.034767	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H+K"	39.970434
"239171"	1134.232026	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+ACN+H"	42.033826
"1211638"	588.132926	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+ACN+H"	42.033826
"1195767"	294.570101	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+ACN+2H"	43.041102
"191199"	1137.16936	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+2Na-H"	44.97116
"631484"	1683.26846	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+2Na-H"	44.97116
"1135720"	591.07026	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2Na-H"	44.97116
"178645"	569.088318	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+2Na"	45.978436
"618207"	842.137868	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+2Na"	45.978436
"1124995"	296.038768	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2Na"	45.978436
"1409612"	197.694937333333	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H+2Na"	46.985712
"1438447"	593.111846	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H+HCOOH"	47.012746
"225956"	574.12134	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+3H2O+2H"	56.04448
"1521672"	607.16389	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+IsoProp+H"	61.06479
"414798"	577.075288	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+Na+K"	61.952376
"772147"	850.124838	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+Na+K"	61.952376
"1667752"	304.025738	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Na+K"	61.952376
"254636"	1156.213968	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+ACN+Na"	64.015768
"1232451"	610.114868	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+ACN+Na"	64.015768
"1718058"	610.138393	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+NH4+HCOOH"	64.039293
"1181589"	205.022251333333	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+3Na"	68.967654
"1652941"	615.093788	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Na+HCOOH"	68.994688
"160895"	1169.11724	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+2K-H"	76.91904
"601916"	1715.21634	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+2K-H"	76.91904
"1089710"	623.01814	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2K-H"	76.91904
"150899"	585.062258	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"2M+2K"	77.926316
"591916"	858.111808	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"3M+2K"	77.926316
"1073876"	312.012708	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2K"	77.926316
"1101614"	625.032692	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2K+H"	78.933592
"1342381"	625.120307	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+DMSO+H"	79.021207
"1019544"	629.159476	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2ACN+H"	83.060376
"1532323"	630.153108	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+IsoProp+Na+H"	84.054008
"1000959"	315.083376	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+2ACN+2H"	84.067652
"1598741"	631.067728	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+K+HCOOH"	84.968628
"1425494"	661.099238	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+H+CF3COOH"	115.000138
"1154691"	335.596651	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+3ACN+2H"	125.094202
"1705336"	678.125785	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+NH4+CF3COOH"	132.026685
"1639892"	683.08118	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+Na+CF3COOH"	136.98208
"1571448"	699.05512	"C06889"	"Ceftazidime"	"C22H22N6O7S2"	"546.0991"	"M+K+CF3COOH"	152.95602
"811378"	383.0358	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M"	0
"980535"	364.01741	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-H2O-H"	-19.01839
"76435"	254.349924	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M-3H"	-3.021828
"514906"	382.028524	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M-3H"	-3.021828
"893802"	126.671324	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-3H"	-3.021828
"15671"	382.028524	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M-2H"	-2.014552
"452666"	573.546424	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M-2H"	-2.014552
"828645"	190.510624	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-2H"	-2.014552
"90825"	765.064324	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M-H"	-1.007276
"531480"	1148.100124	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M-H"	-1.007276
"906001"	382.028524	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-H"	-1.007276
"54908"	782.090871	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M-2H+NH4"	16.019271
"492280"	1165.126671	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M-2H+NH4"	16.019271
"872270"	399.055071	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-2H+NH4"	16.019271
"43453"	787.046266	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M-2H+Na"	20.974666
"480825"	1170.082066	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M-2H+Na"	20.974666
"858626"	404.010466	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-2H+Na"	20.974666
"1628160"	404.010466	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Na-2H"	20.974666
"104691"	400.016863	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M-H+Cl"	33.962126
"544252"	591.534763	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M-H+Cl"	33.962126
"939953"	208.498963	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-H+Cl"	33.962126
"279602"	801.041002	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+Cl"	34.969402
"669839"	1184.076802	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+Cl"	34.969402
"1280054"	418.005202	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Cl"	34.969402
"24799"	803.020206	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M-2H+K"	36.948606
"461078"	1186.056006	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M-2H+K"	36.948606
"838882"	419.984406	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-2H+K"	36.948606
"1561277"	419.984406	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+K-2H"	36.948606
"957551"	428.033994	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-H+HCOOH"	44.998194
"370659"	811.069801	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+HCOOH-H"	44.998201
"360501"	825.085451	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+Hac-H"	59.013851
"1504104"	442.049651	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Hac-H"	59.013851
"962894"	450.015951	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-H+NaCOOH"	66.980151
"111440"	418.005202	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+2Cl"	69.938804
"563759"	609.523102	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+2Cl"	69.938804
"1032559"	226.487302	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2Cl"	69.938804
"1249951"	461.954685	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Br"	78.918885
"1311304"	464.010672	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Cl+HCOOH"	80.974872
"1333907"	485.992629	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Cl+NaCOOH"	102.956829
"918767"	496.021386	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M-H+CF3COOH"	112.985586
"1293291"	531.998064	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Cl+CF3COOH"	148.962264
"1372547"	348.023124	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H-2H2O"	-35.012676
"1383479"	366.0331	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H-H2O"	-17.0027
"284625"	767.078876	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+H"	1.007276
"678137"	1150.114676	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+H"	1.007276
"1353025"	384.043076	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H"	1.007276
"132485"	384.043076	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+2H"	2.014552
"574235"	575.560976	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+2H"	2.014552
"1048502"	192.525176	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2H"	2.014552
"212026"	256.364476	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+3H"	3.021828
"650492"	384.043076	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+3H"	3.021828
"1169714"	128.685876	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+3H"	3.021828
"429341"	784.105423	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+NH4"	18.033823
"791065"	1167.141223	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+NH4"	18.033823
"1683388"	401.069623	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+NH4"	18.033823
"336409"	392.5563495	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+H+NH4"	19.041099
"732840"	584.0742495	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+H+NH4"	19.041099
"1483742"	201.0384495	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H+NH4"	19.041099
"398047"	789.060818	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+Na"	22.989218
"763418"	1172.096618	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+Na"	22.989218
"1612613"	406.025018	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Na"	22.989218
"321559"	395.034047	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+H+Na"	23.996494
"716166"	586.551947	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+H+Na"	23.996494
"1462695"	203.516147	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H+Na"	23.996494
"1053754"	136.01319	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2H+Na"	25.00377
"1258713"	416.069286	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+CH3OH+H"	33.033486
"382391"	805.034758	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+K"	38.963158
"739008"	1188.070558	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+K"	38.963158
"1541431"	421.998958	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+K"	38.963158
"301523"	403.021017	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+H+K"	39.970434
"696132"	594.538917	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+H+K"	39.970434
"1446669"	211.503117	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H+K"	39.970434
"236731"	808.105426	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+ACN+H"	42.033826
"1212722"	425.069626	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+ACN+H"	42.033826
"1198429"	213.038451	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+ACN+2H"	43.041102
"192402"	811.04276	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+2Na-H"	44.97116
"632687"	1194.07856	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+2Na-H"	44.97116
"1135466"	428.00696	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2Na-H"	44.97116
"178755"	406.025018	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+2Na"	45.978436
"616495"	597.542918	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+2Na"	45.978436
"1119270"	214.507118	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2Na"	45.978436
"1405712"	143.340504	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H+2Na"	46.985712
"1435641"	430.048546	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H+HCOOH"	47.012746
"226430"	411.05804	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+3H2O+2H"	56.04448
"1513763"	444.10059	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+IsoProp+H"	61.06479
"411991"	414.011988	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+Na+K"	61.952376
"770434"	605.529888	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+Na+K"	61.952376
"1665708"	222.494088	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Na+K"	61.952376
"255474"	830.087368	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+ACN+Na"	64.015768
"1229645"	447.051568	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+ACN+Na"	64.015768
"1717072"	447.075093	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+NH4+HCOOH"	64.039293
"1180967"	150.667818	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+3Na"	68.967654
"1653778"	452.030488	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Na+HCOOH"	68.994688
"159909"	842.99064	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+2K-H"	76.91904
"600201"	1226.02644	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+2K-H"	76.91904
"1089820"	459.95484	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2K-H"	76.91904
"143355"	421.998958	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"2M+2K"	77.926316
"589475"	613.516858	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"3M+2K"	77.926316
"1077267"	230.481058	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2K"	77.926316
"1105005"	461.969392	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2K+H"	78.933592
"1343583"	462.057007	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+DMSO+H"	79.021207
"1013207"	466.096176	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2ACN+H"	83.060376
"1529153"	467.089808	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+IsoProp+Na+H"	84.054008
"1001069"	233.551726	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+2ACN+2H"	84.067652
"1599582"	468.004428	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+K+HCOOH"	84.968628
"1426697"	498.035938	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+H+CF3COOH"	115.000138
"1156988"	254.065001	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+3ACN+2H"	125.094202
"1704354"	515.062485	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+NH4+CF3COOH"	132.026685
"1643283"	520.01788	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+Na+CF3COOH"	136.98208
"1577840"	535.99182	"C06890"	"Ceftizoxime"	"C13H13N5O5S2"	"383.0358"	"M+K+CF3COOH"	152.95602
"810395"	160.0372	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M"	0
"978459"	141.01881	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-H2O-H"	-19.01839
"76424"	105.684190666667	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M-3H"	-3.021828
"515016"	159.029924	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M-3H"	-3.021828
"893912"	52.3384573333333	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-3H"	-3.021828
"15244"	159.029924	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M-2H"	-2.014552
"453140"	239.048524	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M-2H"	-2.014552
"827662"	79.011324	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-2H"	-2.014552
"90935"	319.067124	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M-H"	-1.007276
"533535"	479.104324	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M-H"	-1.007276
"902831"	159.029924	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-H"	-1.007276
"55018"	336.093671	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M-2H+NH4"	16.019271
"494578"	496.130871	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M-2H+NH4"	16.019271
"870192"	176.056471	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-2H+NH4"	16.019271
"41376"	341.049066	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M-2H+Na"	20.974666
"478748"	501.086266	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M-2H+Na"	20.974666
"856550"	181.011866	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-2H+Na"	20.974666
"1630459"	181.011866	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Na-2H"	20.974666
"102614"	177.018263	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M-H+Cl"	33.962126
"547643"	257.036863	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M-H+Cl"	33.962126
"937880"	96.999663	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-H+Cl"	33.962126
"280081"	355.043802	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+Cl"	34.969402
"672869"	515.081002	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+Cl"	34.969402
"1282353"	195.006602	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Cl"	34.969402
"31196"	357.023006	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M-2H+K"	36.948606
"466659"	517.060206	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M-2H+K"	36.948606
"838992"	196.985806	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-2H+K"	36.948606
"1569771"	196.985806	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+K-2H"	36.948606
"952550"	205.035394	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-H+HCOOH"	44.998194
"367484"	365.072601	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+HCOOH-H"	44.998201
"359029"	379.088251	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+Hac-H"	59.013851
"1507860"	219.051051	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Hac-H"	59.013851
"964465"	227.017351	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-H+NaCOOH"	66.980151
"116655"	195.006602	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+2Cl"	69.938804
"563869"	275.025202	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+2Cl"	69.938804
"1035587"	114.988002	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2Cl"	69.938804
"1255165"	238.956085	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Br"	78.918885
"1309228"	241.012072	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Cl+HCOOH"	80.974872
"1331830"	262.994029	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Cl+NaCOOH"	102.956829
"919970"	273.022786	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M-H+CF3COOH"	112.985586
"1296682"	308.999464	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Cl+CF3COOH"	148.962264
"1374844"	125.024524	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H-2H2O"	-35.012676
"1389059"	143.0345	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H-H2O"	-17.0027
"287651"	321.081676	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+H"	1.007276
"677154"	481.118876	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+H"	1.007276
"1351516"	161.044476	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H"	1.007276
"132595"	161.044476	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+2H"	2.014552
"578359"	241.063076	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+2H"	2.014552
"1048614"	81.025876	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2H"	2.014552
"211045"	107.698742666667	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+3H"	3.021828
"650968"	161.044476	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+3H"	3.021828
"1173108"	54.3530093333333	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+3H"	3.021828
"432367"	338.108223	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+NH4"	18.033823
"791175"	498.145423	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+NH4"	18.033823
"1691521"	178.071023	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+NH4"	18.033823
"338708"	169.5577495	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+H+NH4"	19.041099
"734410"	249.5763495	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+H+NH4"	19.041099
"1488228"	89.5391495	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H+NH4"	19.041099
"400345"	343.063618	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+Na"	22.989218
"765717"	503.100818	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+Na"	22.989218
"1611632"	183.026418	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Na"	22.989218
"318389"	172.035447	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+H+Na"	23.996494
"714091"	252.054047	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+H+Na"	23.996494
"1462805"	92.016847	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H+Na"	23.996494
"1054715"	61.6803233333333	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2H+Na"	25.00377
"1261741"	193.070686	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+CH3OH+H"	33.033486
"381408"	359.037558	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+K"	38.963158
"743498"	519.074758	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+K"	38.963158
"1541177"	199.000358	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+K"	38.963158
"304916"	180.022417	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+H+K"	39.970434
"696245"	260.041017	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+H+K"	39.970434
"1449333"	100.003817	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H+K"	39.970434
"239030"	362.108226	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+ACN+H"	42.033826
"1214657"	202.071026	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+ACN+H"	42.033826
"1198542"	101.539151	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+ACN+2H"	43.041102
"199074"	365.04556	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+2Na-H"	44.97116
"634259"	525.08276	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+2Na-H"	44.97116
"1135577"	205.00836	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2Na-H"	44.97116
"179959"	183.026418	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+2Na"	45.978436
"616605"	263.045018	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+2Na"	45.978436
"1119016"	103.007818	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2Na"	45.978436
"1406552"	69.0076373333333	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H+2Na"	46.985712
"1440855"	207.049946	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H+HCOOH"	47.012746
"228365"	188.05944	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+3H2O+2H"	56.04448
"1514239"	221.10199	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+IsoProp+H"	61.06479
"412101"	191.013388	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+Na+K"	61.952376
"770417"	271.031988	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+Na+K"	61.952376
"1670525"	110.994788	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Na+K"	61.952376
"255950"	384.090168	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+ACN+Na"	64.015768
"1230119"	224.052968	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+ACN+Na"	64.015768
"1716453"	224.076493	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+NH4+HCOOH"	64.039293
"1182900"	76.3349513333333	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+3Na"	68.967654
"1654251"	229.031888	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Na+HCOOH"	68.994688
"159655"	396.99344	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+2K-H"	76.91904
"599946"	557.03064	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+2K-H"	76.91904
"1085190"	236.95624	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2K-H"	76.91904
"142493"	199.000358	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"2M+2K"	77.926316
"581929"	279.018958	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"3M+2K"	77.926316
"1074097"	118.981758	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2K"	77.926316
"1100500"	238.970792	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2K+H"	78.933592
"1338222"	239.058407	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+DMSO+H"	79.021207
"1006995"	243.097576	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2ACN+H"	83.060376
"1534729"	244.091208	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+IsoProp+Na+H"	84.054008
"998990"	122.052426	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+2ACN+2H"	84.067652
"1596773"	245.005828	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+K+HCOOH"	84.968628
"1421340"	275.037338	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+H+CF3COOH"	115.000138
"1151628"	142.565701	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+3ACN+2H"	125.094202
"1702276"	292.063885	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+NH4+CF3COOH"	132.026685
"1636832"	297.01928	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+Na+CF3COOH"	136.98208
"1577950"	312.99322	"C06891"	"D-23-Diketo 4-deoxy-epi-inositol;DKDI"	"C6H8O5"	"160.0372"	"M+K+CF3COOH"	152.95602
"810505"	178.0477	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M"	0
"978569"	159.02931	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"73374"	117.691190666667	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"514032"	177.040424	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"888554"	58.3419573333333	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"9315"	177.040424	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"453250"	266.064274	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"827772"	88.016574	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"92138"	355.088124	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"527324"	533.135824	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"905127"	177.040424	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"59500"	372.114671	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"493593"	550.162371	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"870302"	194.066971	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"43672"	377.070066	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"481044"	555.117766	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"857753"	199.022366	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1629475"	199.022366	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"104910"	195.028763	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"544473"	284.052613	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"937626"	106.004913	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"273265"	391.064802	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"670061"	569.112502	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1281369"	213.017102	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"28668"	393.044006	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"467862"	571.091706	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"839102"	214.996306	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1566965"	214.996306	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"949380"	223.045894	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"367594"	401.093601	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"360800"	415.109251	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1504690"	237.061551	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"964575"	245.027851	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"116765"	213.017102	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"560699"	302.040952	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1033874"	123.993252	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1252359"	256.966585	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1309338"	259.022572	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1331940"	281.004529	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"918987"	291.033286	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1296792"	327.009964	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1376047"	143.035024	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1389169"	161.045	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"286668"	357.102676	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"680180"	535.150376	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1351435"	179.054976	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"131612"	179.054976	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"578471"	268.078826	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1046535"	90.031126	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"212247"	119.705742666667	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"652900"	179.054976	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1173218"	60.3565093333333	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"434300"	374.129223	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"791649"	552.176923	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1691631"	196.081523	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"341004"	187.5682495	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"734520"	276.5920995	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1488338"	98.5443995	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"400455"	379.084618	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"765827"	557.132318	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1610649"	201.036918	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"319593"	190.045947	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"713108"	279.069797	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1463644"	101.022097	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1053733"	67.6838233333333	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1260759"	211.081186	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"380428"	395.058558	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"743608"	573.106258	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1540195"	217.010858	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"305027"	198.032917	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"696357"	287.056767	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1449081"	109.009067	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"239142"	398.129226	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1213676"	220.081526	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1200839"	110.544401	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"192622"	401.06656	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"631816"	579.11426	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1137873"	223.01886	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"177882"	201.036918	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"619628"	290.060768	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1123138"	112.013068	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1411405"	75.0111373333333	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1439871"	225.060446	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"233944"	206.06994	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1519817"	239.11249	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"410753"	209.023888	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"770655"	298.047738	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1672458"	120.000038	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"257886"	420.111168	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1228407"	242.063468	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1717294"	242.086993	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1182282"	82.3384513333333	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1651447"	247.042388	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"160130"	433.01444	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"600060"	611.06214	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1087854"	254.96674	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"141792"	217.010858	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"581916"	306.034708	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1070196"	127.987008	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1099998"	256.981292	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1336512"	257.068907	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1007958"	261.108076	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1534839"	262.101708	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1004812"	131.057676	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1600530"	263.016328	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1423637"	293.047838	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1155020"	151.570951	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1700199"	310.074385	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1636942"	315.02978	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1578060"	331.00372	"C06892"	"2-Deoxy-5-keto-D-gluconic acid;DKH;5-Dehydro-2-deoxy-D-gluconate;2-Deoxy-D-threo-hex-5-ulosonic acid"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"810615"	258.0141	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M"	0
"984148"	238.99571	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-H2O-H"	-19.01839
"73484"	171.002124	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M-3H"	-3.021828
"517420"	257.006824	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M-3H"	-3.021828
"891945"	84.997424	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-3H"	-3.021828
"11613"	257.006824	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M-2H"	-2.014552
"452996"	386.013874	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M-2H"	-2.014552
"827882"	127.999774	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-2H"	-2.014552
"92979"	515.020924	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M-H"	-1.007276
"533965"	773.035024	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M-H"	-1.007276
"905237"	257.006824	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-H"	-1.007276
"62499"	532.047471	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M-2H+NH4"	16.019271
"498078"	790.061571	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M-2H+NH4"	16.019271
"879292"	274.033371	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-2H+NH4"	16.019271
"45607"	537.002866	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M-2H+Na"	20.974666
"481156"	795.016966	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M-2H+Na"	20.974666
"858958"	278.988766	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-2H+Na"	20.974666
"1630678"	278.988766	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Na-2H"	20.974666
"107942"	274.995163	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M-H+Cl"	33.962126
"541303"	404.002213	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M-H+Cl"	33.962126
"942114"	145.988113	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-H+Cl"	33.962126
"273375"	550.997602	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+Cl"	34.969402
"674551"	809.011702	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+Cl"	34.969402
"1286950"	292.983502	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Cl"	34.969402
"29871"	552.976806	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M-2H+K"	36.948606
"467972"	810.990906	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M-2H+K"	36.948606
"844682"	294.962706	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-2H+K"	36.948606
"1567075"	294.962706	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+K-2H"	36.948606
"954594"	303.012294	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-H+HCOOH"	44.998194
"369891"	561.026401	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+HCOOH-H"	44.998201
"355964"	575.042051	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+Hac-H"	59.013851
"1503700"	317.027951	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Hac-H"	59.013851
"964680"	324.994251	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-H+NaCOOH"	66.980151
"124409"	292.983502	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+2Cl"	69.938804
"560809"	421.990552	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+2Cl"	69.938804
"1033984"	163.976452	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2Cl"	69.938804
"1255998"	336.932985	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Br"	78.918885
"1314916"	338.988972	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Cl+HCOOH"	80.974872
"1331321"	360.970929	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Cl+NaCOOH"	102.956829
"922378"	370.999686	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M-H+CF3COOH"	112.985586
"1296902"	406.976364	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Cl+CF3COOH"	148.962264
"1376158"	223.001424	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H-2H2O"	-35.012676
"1385999"	241.0114	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H-H2O"	-17.0027
"285684"	517.035476	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+H"	1.007276
"679197"	775.049576	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+H"	1.007276
"1351533"	259.021376	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H"	1.007276
"139985"	259.021376	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+2H"	2.014552
"577847"	388.028426	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+2H"	2.014552
"1046645"	130.014326	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2H"	2.014552
"210535"	173.016676	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+3H"	3.021828
"656289"	259.021376	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+3H"	3.021828
"1173328"	87.011976	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+3H"	3.021828
"434410"	534.062023	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+NH4"	18.033823
"794311"	792.076123	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+NH4"	18.033823
"1691741"	276.047923	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+NH4"	18.033823
"338925"	267.5346495	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+H+NH4"	19.041099
"735721"	396.5416995	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+H+NH4"	19.041099
"1488448"	138.5275995	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H+NH4"	19.041099
"400565"	539.017418	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+Na"	22.989218
"765937"	797.031518	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+Na"	22.989218
"1610761"	281.003318	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Na"	22.989218
"324077"	270.012347	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+H+Na"	23.996494
"719413"	399.019397	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+H+Na"	23.996494
"1464851"	141.005297	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H+Na"	23.996494
"1060286"	94.33929	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2H+Na"	25.00377
"1260871"	291.047586	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+CH3OH+H"	33.033486
"388922"	554.991358	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+K"	38.963158
"747000"	813.005458	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+K"	38.963158
"1543588"	296.977258	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+K"	38.963158
"307326"	277.999317	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+H+K"	39.970434
"703031"	407.006367	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+H+K"	39.970434
"1455755"	148.992267	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H+K"	39.970434
"248369"	558.062026	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+ACN+H"	42.033826
"1222534"	300.047926	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+ACN+H"	42.033826
"1207513"	150.527601	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+ACN+2H"	43.041102
"192730"	560.99936	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+2Na-H"	44.97116
"635571"	819.01346	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+2Na-H"	44.97116
"1139076"	302.98526	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2Na-H"	44.97116
"181274"	281.003318	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+2Na"	45.978436
"620833"	410.010368	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+2Na"	45.978436
"1120696"	151.996268	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2Na"	45.978436
"1412366"	101.666604	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H+2Na"	46.985712
"1441077"	305.026846	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H+HCOOH"	47.012746
"234178"	286.03634	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+3H2O+2H"	56.04448
"1519928"	319.07889	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+IsoProp+H"	61.06479
"414146"	288.990288	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+Na+K"	61.952376
"776598"	417.997338	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+Na+K"	61.952376
"1674757"	159.983238	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Na+K"	61.952376
"257996"	580.043968	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+ACN+Na"	64.015768
"1229248"	322.029868	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+ACN+Na"	64.015768
"1717407"	322.053393	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+NH4+HCOOH"	64.039293
"1184949"	108.993918	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+3Na"	68.967654
"1652656"	327.008788	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Na+HCOOH"	68.994688
"160611"	592.94724	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+2K-H"	76.91904
"603452"	850.96134	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+2K-H"	76.91904
"1090151"	334.93314	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2K-H"	76.91904
"152070"	296.977258	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"2M+2K"	77.926316
"584339"	425.984308	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"3M+2K"	77.926316
"1071037"	167.970208	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2K"	77.926316
"1100312"	336.947692	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2K+H"	78.933592
"1343915"	337.035307	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+DMSO+H"	79.021207
"1018641"	341.074476	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2ACN+H"	83.060376
"1526199"	342.068108	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+IsoProp+Na+H"	84.054008
"998115"	171.040876	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+2ACN+2H"	84.067652
"1593713"	342.982728	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+K+HCOOH"	84.968628
"1421560"	373.014238	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+H+CF3COOH"	115.000138
"1152943"	191.554151	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+3ACN+2H"	125.094202
"1702496"	390.040785	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+NH4+CF3COOH"	132.026685
"1637052"	394.99618	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+Na+CF3COOH"	136.98208
"1578170"	410.97012	"C06893"	"2-Deoxy-5-keto-D-gluconic acid 6-phosphate;6-Phospho-5-dehydro-2-deoxy-D-gluconate;DKHP"	"C6H11O9P"	"258.0141"	"M+K+CF3COOH"	152.95602
"811818"	424.0689	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M"	0
"979882"	405.05051	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-H2O-H"	-19.01839
"76510"	281.705324	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M-3H"	-3.021828
"515345"	423.061624	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M-3H"	-3.021828
"890961"	140.349024	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-3H"	-3.021828
"14882"	423.061624	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M-2H"	-2.014552
"454566"	635.096074	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M-2H"	-2.014552
"832496"	211.027174	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-2H"	-2.014552
"92967"	847.130524	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M-H"	-1.007276
"533952"	1271.199424	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M-H"	-1.007276
"906438"	423.061624	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-H"	-1.007276
"62693"	864.157071	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M-2H+NH4"	16.019271
"498188"	1288.225971	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M-2H+NH4"	16.019271
"879277"	440.088171	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-2H+NH4"	16.019271
"46203"	869.112466	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M-2H+Na"	20.974666
"481266"	1293.181366	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M-2H+Na"	20.974666
"853598"	445.043566	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-2H+Na"	20.974666
"1625319"	445.043566	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Na-2H"	20.974666
"108780"	441.049963	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M-H+Cl"	33.962126
"542506"	653.084413	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M-H+Cl"	33.962126
"941490"	229.015513	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-H+Cl"	33.962126
"273485"	883.107202	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+Cl"	34.969402
"674538"	1307.176102	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+Cl"	34.969402
"1281591"	459.038302	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Cl"	34.969402
"26335"	885.086406	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M-2H+K"	36.948606
"465895"	1309.155306	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M-2H+K"	36.948606
"844791"	461.017506	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-2H+K"	36.948606
"1567185"	461.017506	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+K-2H"	36.948606
"947413"	469.067094	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-H+HCOOH"	44.998194
"366721"	893.136001	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+HCOOH-H"	44.998201
"351698"	907.151651	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+Hac-H"	59.013851
"1497248"	483.082751	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Hac-H"	59.013851
"962601"	491.049051	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-H+NaCOOH"	66.980151
"114787"	459.038302	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+2Cl"	69.938804
"556533"	671.072752	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+2Cl"	69.938804
"1026427"	247.003852	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2Cl"	69.938804
"1256715"	502.987785	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Br"	78.918885
"1313933"	505.043772	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Cl+HCOOH"	80.974872
"1332160"	527.025729	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Cl+NaCOOH"	102.956829
"922488"	537.054486	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M-H+CF3COOH"	112.985586
"1297012"	573.031164	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Cl+CF3COOH"	148.962264
"1376267"	389.056224	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H-2H2O"	-35.012676
"1386109"	407.0662	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H-H2O"	-17.0027
"286886"	849.145076	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+H"	1.007276
"677120"	1273.213976	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+H"	1.007276
"1351886"	425.076176	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H"	1.007276
"138394"	425.076176	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+2H"	2.014552
"577957"	637.110626	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+2H"	2.014552
"1046755"	213.041726	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2H"	2.014552
"211374"	283.719876	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+3H"	3.021828
"653121"	425.076176	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+3H"	3.021828
"1174531"	142.363576	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+3H"	3.021828
"434520"	866.171623	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+NH4"	18.033823
"794421"	1290.240523	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+NH4"	18.033823
"1691851"	442.102723	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+NH4"	18.033823
"339035"	433.5894495	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+H+NH4"	19.041099
"730364"	645.6238995	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+H+NH4"	19.041099
"1488558"	221.5549995	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H+NH4"	19.041099
"396665"	871.127018	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+Na"	22.989218
"766047"	1295.195918	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+Na"	22.989218
"1608682"	447.058118	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Na"	22.989218
"325280"	436.067147	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+H+Na"	23.996494
"715512"	648.101597	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+H+Na"	23.996494
"1466055"	224.032697	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H+Na"	23.996494
"1064771"	149.69089	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2H+Na"	25.00377
"1264262"	457.102386	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+CH3OH+H"	33.033486
"388307"	887.100958	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+K"	38.963158
"749298"	1311.169858	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+K"	38.963158
"1551352"	463.032058	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+K"	38.963158
"309988"	444.054117	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+H+K"	39.970434
"703141"	656.088567	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+H+K"	39.970434
"1459512"	232.019667	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H+K"	39.970434
"248481"	890.171626	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+ACN+H"	42.033826
"1222647"	466.102726	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+ACN+H"	42.033826
"1206530"	233.555001	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+ACN+2H"	43.041102
"196122"	893.10896	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+2Na-H"	44.97116
"634589"	1317.17786	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+2Na-H"	44.97116
"1137001"	469.04006	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2Na-H"	44.97116
"184664"	447.058118	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+2Na"	45.978436
"622037"	659.092568	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+2Na"	45.978436
"1126640"	235.023668	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2Na"	45.978436
"1411624"	157.018204	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H+2Na"	46.985712
"1442280"	471.081646	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H+HCOOH"	47.012746
"231977"	452.09114	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+3H2O+2H"	56.04448
"1518945"	485.13369	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+IsoProp+H"	61.06479
"414620"	455.045088	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+Na+K"	61.952376
"775979"	667.079538	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+Na+K"	61.952376
"1669764"	243.010638	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Na+K"	61.952376
"256283"	912.153568	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+ACN+Na"	64.015768
"1228992"	488.084668	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+ACN+Na"	64.015768
"1720797"	488.108193	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+NH4+HCOOH"	64.039293
"1185060"	164.345518	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+3Na"	68.967654
"1651673"	493.063588	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Na+HCOOH"	68.994688
"162908"	925.05684	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+2K-H"	76.91904
"603562"	1349.12574	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+2K-H"	76.91904
"1086981"	500.98794	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2K-H"	76.91904
"147077"	463.032058	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"2M+2K"	77.926316
"584449"	675.066508	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"3M+2K"	77.926316
"1071148"	250.997608	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2K"	77.926316
"1099988"	503.002492	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2K+H"	78.933592
"1348399"	503.090107	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+DMSO+H"	79.021207
"1020091"	507.129276	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2ACN+H"	83.060376
"1526309"	508.122908	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+IsoProp+Na+H"	84.054008
"992756"	254.068276	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+2ACN+2H"	84.067652
"1594916"	509.037528	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+K+HCOOH"	84.968628
"1421668"	539.069038	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+H+CF3COOH"	115.000138
"1151958"	274.581551	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+3ACN+2H"	125.094202
"1702606"	556.095585	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+NH4+CF3COOH"	132.026685
"1637162"	561.05098	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+Na+CF3COOH"	136.98208
"1578280"	577.02492	"C06894"	"Cefuroxime"	"C16H16N4O8S"	"424.0689"	"M+K+CF3COOH"	152.95602
"811928"	347.094	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M"	0
"976712"	328.07561	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-H2O-H"	-19.01839
"76984"	230.388724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M-3H"	-3.021828
"515455"	346.086724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M-3H"	-3.021828
"889978"	114.690724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-3H"	-3.021828
"9646"	346.086724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M-2H"	-2.014552
"454555"	519.633724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M-2H"	-2.014552
"832785"	172.539724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-2H"	-2.014552
"92713"	693.180724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M-H"	-1.007276
"534239"	1040.274724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M-H"	-1.007276
"905455"	346.086724	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-H"	-1.007276
"55456"	710.207271	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M-2H+NH4"	16.019271
"496112"	1057.301271	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M-2H+NH4"	16.019271
"879387"	363.113271	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-2H+NH4"	16.019271
"39628"	715.162666	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M-2H+Na"	20.974666
"479189"	1062.256666	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M-2H+Na"	20.974666
"852615"	368.068666	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-2H+Na"	20.974666
"1619595"	368.068666	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Na-2H"	20.974666
"108402"	364.075063	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M-H+Cl"	33.962126
"542616"	537.622063	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M-H+Cl"	33.962126
"941600"	190.528063	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-H+Cl"	33.962126
"273595"	729.157402	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+Cl"	34.969402
"675133"	1076.251402	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+Cl"	34.969402
"1284981"	382.063402	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Cl"	34.969402
"26445"	731.136606	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M-2H+K"	36.948606
"463818"	1078.230606	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M-2H+K"	36.948606
"844901"	384.042606	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-2H+K"	36.948606
"1567295"	384.042606	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+K-2H"	36.948606
"947523"	392.092194	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-H+HCOOH"	44.998194
"366831"	739.186201	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+HCOOH-H"	44.998201
"350715"	753.201851	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+Hac-H"	59.013851
"1498452"	406.107851	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Hac-H"	59.013851
"964899"	414.074151	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-H+NaCOOH"	66.980151
"114897"	382.063402	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+2Cl"	69.938804
"555554"	555.610402	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+2Cl"	69.938804
"1029817"	208.516402	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2Cl"	69.938804
"1256907"	426.012885	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Br"	78.918885
"1314043"	428.068872	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Cl+HCOOH"	80.974872
"1332270"	450.050829	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Cl+NaCOOH"	102.956829
"922598"	460.079586	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M-H+CF3COOH"	112.985586
"1297122"	496.056264	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Cl+CF3COOH"	148.962264
"1376377"	312.081324	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H-2H2O"	-35.012676
"1386219"	330.0913	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H-H2O"	-17.0027
"286996"	695.195276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+H"	1.007276
"676499"	1042.289276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+H"	1.007276
"1355765"	348.101276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H"	1.007276
"133029"	348.101276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+2H"	2.014552
"578067"	521.648276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+2H"	2.014552
"1046866"	174.554276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2H"	2.014552
"210755"	232.403276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+3H"	3.021828
"653231"	348.101276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+3H"	3.021828
"1175734"	116.705276	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+3H"	3.021828
"435724"	712.221823	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+NH4"	18.033823
"796718"	1059.315823	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+NH4"	18.033823
"1687222"	365.127823	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+NH4"	18.033823
"335499"	356.6145495	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+H+NH4"	19.041099
"732661"	530.1615495	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+H+NH4"	19.041099
"1482107"	183.0675495	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H+NH4"	19.041099
"395682"	717.177218	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+Na"	22.989218
"759595"	1064.271218	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+Na"	22.989218
"1606606"	370.083218	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Na"	22.989218
"325389"	359.092247	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+H+Na"	23.996494
"710155"	532.639247	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+H+Na"	23.996494
"1471633"	185.545247	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H+Na"	23.996494
"1064881"	124.03259	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2H+Na"	25.00377
"1264372"	380.127486	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+CH3OH+H"	33.033486
"389144"	733.151158	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+K"	38.963158
"749408"	1080.245158	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+K"	38.963158
"1549275"	386.057158	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+K"	38.963158
"310462"	367.079217	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+H+K"	39.970434
"705803"	540.626217	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+H+K"	39.970434
"1458166"	193.532217	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H+K"	39.970434
"243490"	736.221826	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+ACN+H"	42.033826
"1223488"	389.127826	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+ACN+H"	42.033826
"1203364"	195.067551	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+ACN+2H"	43.041102
"198419"	739.15916	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+2Na-H"	44.97116
"636886"	1086.25316	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+2Na-H"	44.97116
"1142577"	392.06516	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2Na-H"	44.97116
"181495"	370.083218	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+2Na"	45.978436
"627861"	543.630218	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+2Na"	45.978436
"1126749"	196.536218	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2Na"	45.978436
"1412341"	131.359904	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H+2Na"	46.985712
"1441297"	394.106746	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H+HCOOH"	47.012746
"230993"	375.11624	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+3H2O+2H"	56.04448
"1517961"	408.15879	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+IsoProp+H"	61.06479
"416553"	378.070188	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+Na+K"	61.952376
"779735"	551.617188	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+Na+K"	61.952376
"1668781"	204.523188	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Na+K"	61.952376
"259311"	758.203768	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+ACN+Na"	64.015768
"1228376"	411.109768	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+ACN+Na"	64.015768
"1722001"	411.133293	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+NH4+HCOOH"	64.039293
"1185168"	138.687218	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+3Na"	68.967654
"1658344"	416.088688	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Na+HCOOH"	68.994688
"169215"	771.10704	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+2K-H"	76.91904
"605860"	1118.20104	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+2K-H"	76.91904
"1090371"	424.01304	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2K-H"	76.91904
"147187"	386.057158	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"2M+2K"	77.926316
"584559"	559.604158	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"3M+2K"	77.926316
"1069556"	212.510158	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2K"	77.926316
"1101061"	426.027592	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2K+H"	78.933592
"1343039"	426.115207	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+DMSO+H"	79.021207
"1012666"	430.154376	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2ACN+H"	83.060376
"1531887"	431.148008	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+IsoProp+Na+H"	84.054008
"992868"	215.580826	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+2ACN+2H"	84.067652
"1596120"	432.062628	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+K+HCOOH"	84.968628
"1420685"	462.094138	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+H+CF3COOH"	115.000138
"1150975"	236.094101	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+3ACN+2H"	125.094202
"1704903"	479.120685	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+NH4+CF3COOH"	132.026685
"1637272"	484.07608	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+Na+CF3COOH"	136.98208
"1578390"	500.05002	"C06895"	"Cephalexin;Cefalexin"	"C16H17N3O4S"	"347.094"	"M+K+CF3COOH"	152.95602
"812038"	423.0559	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M"	0
"977915"	404.03751	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-H2O-H"	-19.01839
"77823"	281.029990666667	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M-3H"	-3.021828
"514472"	422.048624	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M-3H"	-3.021828
"892274"	140.011357333333	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-3H"	-3.021828
"11942"	422.048624	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M-2H"	-2.014552
"450410"	633.576574	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M-2H"	-2.014552
"832553"	210.520674	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-2H"	-2.014552
"93917"	845.104524	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M-H"	-1.007276
"534097"	1268.160424	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M-H"	-1.007276
"905565"	422.048624	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-H"	-1.007276
"55566"	862.131071	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M-2H+NH4"	16.019271
"498408"	1285.186971	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M-2H+NH4"	16.019271
"879130"	439.075171	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-2H+NH4"	16.019271
"39737"	867.086466	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M-2H+Na"	20.974666
"481485"	1290.142366	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M-2H+Na"	20.974666
"853818"	444.030566	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-2H+Na"	20.974666
"1620799"	444.030566	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Na-2H"	20.974666
"107539"	440.036963	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M-H+Cl"	33.962126
"542724"	651.564913	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M-H+Cl"	33.962126
"942075"	228.509013	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-H+Cl"	33.962126
"274798"	881.081202	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+Cl"	34.969402
"675080"	1304.137102	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+Cl"	34.969402
"1282904"	458.025302	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Cl"	34.969402
"23275"	883.060406	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M-2H+K"	36.948606
"463928"	1306.116306	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M-2H+K"	36.948606
"843918"	460.004506	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-2H+K"	36.948606
"1564125"	460.004506	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+K-2H"	36.948606
"949819"	468.054094	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-H+HCOOH"	44.998194
"366940"	891.110001	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+HCOOH-H"	44.998201
"353011"	905.125651	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+Hac-H"	59.013851
"1499655"	482.069751	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Hac-H"	59.013851
"960269"	490.036051	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-H+NaCOOH"	66.980151
"112821"	458.025302	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+2Cl"	69.938804
"553477"	669.553252	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+2Cl"	69.938804
"1025555"	246.497352	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2Cl"	69.938804
"1253893"	501.974785	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Br"	78.918885
"1316340"	504.030772	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Cl+HCOOH"	80.974872
"1327276"	526.012729	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Cl+NaCOOH"	102.956829
"922708"	536.041486	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M-H+CF3COOH"	112.985586
"1297232"	572.018164	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Cl+CF3COOH"	148.962264
"1376487"	388.043224	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H-2H2O"	-35.012676
"1389609"	406.0532	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H-H2O"	-17.0027
"284920"	847.119076	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+H"	1.007276
"676366"	1270.174976	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+H"	1.007276
"1354782"	424.063176	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H"	1.007276
"126941"	424.063176	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+2H"	2.014552
"580362"	635.591126	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+2H"	2.014552
"1048068"	212.535226	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2H"	2.014552
"211594"	283.044542666667	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+3H"	3.021828
"651154"	424.063176	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+3H"	3.021828
"1175843"	142.025909333333	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+3H"	3.021828
"438020"	864.145623	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+NH4"	18.033823
"796828"	1287.201523	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+NH4"	18.033823
"1687697"	441.089723	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+NH4"	18.033823
"339255"	432.5764495	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+H+NH4"	19.041099
"732771"	644.1043995	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+H+NH4"	19.041099
"1483310"	221.0484995	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H+NH4"	19.041099
"398708"	869.101018	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+Na"	22.989218
"761892"	1292.156918	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+Na"	22.989218
"1607804"	446.045118	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Na"	22.989218
"324406"	435.054147	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+H+Na"	23.996494
"710265"	646.582097	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+H+Na"	23.996494
"1471744"	223.526197	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H+Na"	23.996494
"1063898"	149.353223333333	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2H+Na"	25.00377
"1267397"	456.089386	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+CH3OH+H"	33.033486
"388159"	885.074958	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+K"	38.963158
"749883"	1308.130858	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+K"	38.963158
"1550114"	462.019058	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+K"	38.963158
"310936"	443.041117	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+H+K"	39.970434
"700074"	654.569067	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+H+K"	39.970434
"1457913"	231.513167	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H+K"	39.970434
"246881"	888.145626	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+ACN+H"	42.033826
"1223478"	465.089726	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+ACN+H"	42.033826
"1206754"	233.048501	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+ACN+2H"	43.041102
"197436"	891.08296	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+2Na-H"	44.97116
"642463"	1314.13886	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+2Na-H"	44.97116
"1145603"	468.02706	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2Na-H"	44.97116
"188464"	446.045118	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+2Na"	45.978436
"628403"	657.573068	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+2Na"	45.978436
"1130992"	234.517168	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2Na"	45.978436
"1411478"	156.680537333333	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H+2Na"	46.985712
"1442500"	470.068646	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H+HCOOH"	47.012746
"231104"	451.07814	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+3H2O+2H"	56.04448
"1516978"	484.12069	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+IsoProp+H"	61.06479
"416663"	454.032088	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+Na+K"	61.952376
"775105"	665.560038	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+Na+K"	61.952376
"1671808"	242.504138	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Na+K"	61.952376
"259421"	910.127568	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+ACN+Na"	64.015768
"1231038"	487.071668	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+ACN+Na"	64.015768
"1721019"	487.095193	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+NH4+HCOOH"	64.039293
"1183089"	164.007851333333	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+3Na"	68.967654
"1660641"	492.050588	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Na+HCOOH"	68.994688
"169325"	923.03084	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+2K-H"	76.91904
"608157"	1346.08674	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+2K-H"	76.91904
"1087201"	499.97494	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2K-H"	76.91904
"145110"	462.019058	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"2M+2K"	77.926316
"586856"	673.547008	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"3M+2K"	77.926316
"1071368"	250.491108	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2K"	77.926316
"1101170"	501.989492	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2K+H"	78.933592
"1337559"	502.077107	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+DMSO+H"	79.021207
"1013869"	506.116276	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2ACN+H"	83.060376
"1531997"	507.109908	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+IsoProp+Na+H"	84.054008
"998446"	253.561776	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+2ACN+2H"	84.067652
"1595136"	508.024528	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+K+HCOOH"	84.968628
"1421888"	538.056038	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+H+CF3COOH"	115.000138
"1152178"	274.075051	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+3ACN+2H"	125.094202
"1705013"	555.082585	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+NH4+CF3COOH"	132.026685
"1637382"	560.03798	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+Na+CF3COOH"	136.98208
"1578500"	576.01192	"C06896"	"Cephapirin"	"C17H17N3O6S2"	"423.0559"	"M+K+CF3COOH"	152.95602
"812148"	349.1096	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M"	0
"975839"	330.09121	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-H2O-H"	-19.01839
"75747"	231.732457333333	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M-3H"	-3.021828
"514582"	348.102324	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M-3H"	-3.021828
"892384"	115.362590666667	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-3H"	-3.021828
"13145"	348.102324	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M-2H"	-2.014552
"450518"	522.657124	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M-2H"	-2.014552
"832578"	173.547524	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-2H"	-2.014552
"93419"	697.211924	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M-H"	-1.007276
"533756"	1046.321524	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M-H"	-1.007276
"904582"	348.102324	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-H"	-1.007276
"52395"	714.238471	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M-2H+NH4"	16.019271
"498518"	1063.348071	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M-2H+NH4"	16.019271
"873038"	365.128871	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-2H+NH4"	16.019271
"38753"	719.193866	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M-2H+Na"	20.974666
"481593"	1068.303466	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M-2H+Na"	20.974666
"853928"	370.084266	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-2H+Na"	20.974666
"1622368"	370.084266	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Na-2H"	20.974666
"107285"	366.090663	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M-H+Cl"	33.962126
"540648"	540.645463	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M-H+Cl"	33.962126
"939634"	191.535863	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-H+Cl"	33.962126
"274908"	733.188602	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+Cl"	34.969402
"672799"	1082.298202	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+Cl"	34.969402
"1280827"	384.079002	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Cl"	34.969402
"18282"	735.167806	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M-2H+K"	36.948606
"464038"	1084.277406	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M-2H+K"	36.948606
"844028"	386.058206	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-2H+K"	36.948606
"1565328"	386.058206	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+K-2H"	36.948606
"948836"	394.107794	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-H+HCOOH"	44.998194
"367050"	743.217401	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+HCOOH-H"	44.998201
"352028"	757.233051	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+Hac-H"	59.013851
"1499765"	408.123451	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Hac-H"	59.013851
"962930"	416.089751	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-H+NaCOOH"	66.980151
"111839"	384.079002	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+2Cl"	69.938804
"553587"	558.633802	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+2Cl"	69.938804
"1025667"	209.524202	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2Cl"	69.938804
"1244160"	428.028485	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Br"	78.918885
"1316450"	430.084472	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Cl+HCOOH"	80.974872
"1327386"	452.066429	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Cl+NaCOOH"	102.956829
"922818"	462.095186	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M-H+CF3COOH"	112.985586
"1297342"	498.071864	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Cl+CF3COOH"	148.962264
"1376597"	314.096924	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H-2H2O"	-35.012676
"1386439"	332.1069	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H-H2O"	-17.0027
"284058"	699.226476	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+H"	1.007276
"676152"	1048.336076	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+H"	1.007276
"1353069"	350.116876	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H"	1.007276
"128144"	350.116876	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+2H"	2.014552
"578286"	524.671676	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+2H"	2.014552
"1044899"	175.562076	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2H"	2.014552
"211704"	233.747009333333	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+3H"	3.021828
"646523"	350.116876	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+3H"	3.021828
"1174860"	117.377142666667	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+3H"	3.021828
"438130"	716.253023	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+NH4"	18.033823
"793658"	1065.362623	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+NH4"	18.033823
"1687807"	367.143423	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+NH4"	18.033823
"338272"	358.6301495	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+H+NH4"	19.041099
"728504"	533.1849495	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+H+NH4"	19.041099
"1487792"	184.0753495	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H+NH4"	19.041099
"398818"	721.208418	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+Na"	22.989218
"762002"	1070.318018	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+Na"	22.989218
"1609007"	372.098818	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Na"	22.989218
"324516"	361.107847	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+H+Na"	23.996494
"713655"	535.662647	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+H+Na"	23.996494
"1468573"	186.553047	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H+Na"	23.996494
"1063279"	124.704456666667	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2H+Na"	25.00377
"1267872"	382.143086	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+CH3OH+H"	33.033486
"388635"	737.182358	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+K"	38.963158
"747441"	1086.291958	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+K"	38.963158
"1550224"	388.072758	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+K"	38.963158
"309587"	369.094817	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+H+K"	39.970434
"697996"	543.649617	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+H+K"	39.970434
"1446349"	194.540017	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H+K"	39.970434
"236284"	740.253026	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+ACN+H"	42.033826
"1219693"	391.143426	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+ACN+H"	42.033826
"1208688"	196.075351	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+ACN+2H"	43.041102
"198641"	743.19036	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+2Na-H"	44.97116
"634920"	1092.29996	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+2Na-H"	44.97116
"1142798"	394.08076	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2Na-H"	44.97116
"188556"	372.098818	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+2Na"	45.978436
"628459"	546.653618	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+2Na"	45.978436
"1128064"	197.544018	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2Na"	45.978436
"1409400"	132.031770666667	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H+2Na"	46.985712
"1438235"	396.122346	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H+HCOOH"	47.012746
"229025"	377.13184	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+3H2O+2H"	56.04448
"1517088"	410.17439	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+IsoProp+H"	61.06479
"413857"	380.085788	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+Na+K"	61.952376
"775582"	554.640588	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+Na+K"	61.952376
"1674105"	205.530988	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Na+K"	61.952376
"259531"	762.234968	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+ACN+Na"	64.015768
"1232241"	413.125368	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+ACN+Na"	64.015768
"1723316"	413.148893	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+NH4+HCOOH"	64.039293
"1184293"	139.359084666667	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+3Na"	68.967654
"1659658"	418.104288	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Na+HCOOH"	68.994688
"169435"	775.13824	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+2K-H"	76.91904
"608267"	1124.24784	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+2K-H"	76.91904
"1090591"	426.02864	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2K-H"	76.91904
"148500"	388.072758	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"2M+2K"	77.926316
"586966"	562.627558	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"3M+2K"	77.926316
"1071478"	213.517958	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2K"	77.926316
"1103592"	428.043192	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2K+H"	78.933592
"1337548"	428.130807	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+DMSO+H"	79.021207
"1010699"	432.169976	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2ACN+H"	83.060376
"1527734"	433.163608	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+IsoProp+Na+H"	84.054008
"995276"	216.588626	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+2ACN+2H"	84.067652
"1593059"	434.078228	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+K+HCOOH"	84.968628
"1418718"	464.109738	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+H+CF3COOH"	115.000138
"1151195"	237.101901	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+3ACN+2H"	125.094202
"1706216"	481.136285	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+NH4+CF3COOH"	132.026685
"1637492"	486.09168	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+Na+CF3COOH"	136.98208
"1578610"	502.06562	"C06897"	"Cephradine;Cefradine"	"C16H19N3O4S"	"349.1096"	"M+K+CF3COOH"	152.95602
"812258"	163.9199	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M"	0
"982509"	144.90151	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-H2O-H"	-19.01839
"75128"	108.272657333333	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M-3H"	-3.021828
"512504"	162.912624	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M-3H"	-3.021828
"894681"	53.6326906666667	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-3H"	-3.021828
"12162"	162.912624	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M-2H"	-2.014552
"451721"	244.872574	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M-2H"	-2.014552
"831959"	80.952674	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-2H"	-2.014552
"93779"	326.832524	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M-H"	-1.007276
"533214"	490.752424	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M-H"	-1.007276
"908703"	162.912624	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-H"	-1.007276
"56879"	343.859071	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M-2H+NH4"	16.019271
"498628"	507.778971	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M-2H+NH4"	16.019271
"872055"	179.939171	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-2H+NH4"	16.019271
"42143"	348.814466	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M-2H+Na"	20.974666
"482796"	512.734366	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M-2H+Na"	20.974666
"852945"	184.894566	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-2H+Na"	20.974666
"1624665"	184.894566	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Na-2H"	20.974666
"101192"	180.900963	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M-H+Cl"	33.962126
"542943"	262.860913	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M-H+Cl"	33.962126
"939744"	98.941013	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-H+Cl"	33.962126
"273925"	362.809202	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+Cl"	34.969402
"669629"	526.729102	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+Cl"	34.969402
"1283125"	198.889302	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Cl"	34.969402
"23493"	364.788406	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M-2H+K"	36.948606
"460867"	528.708306	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M-2H+K"	36.948606
"844138"	200.868506	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-2H+K"	36.948606
"1565438"	200.868506	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+K-2H"	36.948606
"946760"	208.918094	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-H+HCOOH"	44.998194
"369348"	372.838001	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+HCOOH-H"	44.998201
"354325"	386.853651	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+Hac-H"	59.013851
"1504250"	222.933751	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Hac-H"	59.013851
"965230"	230.900051	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-H+NaCOOH"	66.980151
"115230"	198.889302	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+2Cl"	69.938804
"554791"	280.849252	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+2Cl"	69.938804
"1026871"	116.929352	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2Cl"	69.938804
"1244270"	242.838785	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Br"	78.918885
"1315467"	244.894772	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Cl+HCOOH"	80.974872
"1329683"	266.876729	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Cl+NaCOOH"	102.956829
"922929"	276.905486	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M-H+CF3COOH"	112.985586
"1301098"	312.882164	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Cl+CF3COOH"	148.962264
"1380353"	128.907224	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H-2H2O"	-35.012676
"1393109"	146.9172	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H-H2O"	-17.0027
"290607"	328.847076	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+H"	1.007276
"678655"	492.766976	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+H"	1.007276
"1355004"	164.927176	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H"	1.007276
"131171"	164.927176	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+2H"	2.014552
"578396"	246.887126	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+2H"	2.014552
"1045008"	82.967226	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2H"	2.014552
"212907"	110.287209333333	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+3H"	3.021828
"650279"	164.927176	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+3H"	3.021828
"1176793"	55.6472426666667	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+3H"	3.021828
"436053"	345.873623	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+NH4"	18.033823
"795954"	509.793523	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+NH4"	18.033823
"1692291"	181.953723	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+NH4"	18.033823
"341662"	173.4404495	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+H+NH4"	19.041099
"730800"	255.4003995	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+H+NH4"	19.041099
"1483528"	91.4804995	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H+NH4"	19.041099
"397836"	350.829018	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+Na"	22.989218
"767216"	514.748918	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+Na"	22.989218
"1615314"	186.909118	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Na"	22.989218
"326086"	175.918147	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+H+Na"	23.996494
"718139"	257.878097	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+H+Na"	23.996494
"1467591"	93.958197	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H+Na"	23.996494
"1061929"	62.9745566666667	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2H+Na"	25.00377
"1267253"	196.953386	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+CH3OH+H"	33.033486
"386555"	366.802958	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+K"	38.963158
"747551"	530.722858	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+K"	38.963158
"1547415"	202.883058	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+K"	38.963158
"300214"	183.905117	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+H+K"	39.970434
"692267"	265.865067	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+H+K"	39.970434
"1449739"	101.945167	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H+K"	39.970434
"236352"	369.873626	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+ACN+H"	42.033826
"1219803"	205.953726	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+ACN+H"	42.033826
"1207705"	103.480501	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+ACN+2H"	43.041102
"200574"	372.81096	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+2Na-H"	44.97116
"637217"	536.73086	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+2Na-H"	44.97116
"1145096"	208.89106	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2Na-H"	44.97116
"187540"	186.909118	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+2Na"	45.978436
"627828"	268.869068	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+2Na"	45.978436
"1127083"	104.949168	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2Na"	45.978436
"1408416"	70.3018706666667	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H+2Na"	46.985712
"1436158"	210.932646	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H+HCOOH"	47.012746
"228040"	191.94214	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+3H2O+2H"	56.04448
"1513916"	224.98469	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+IsoProp+H"	61.06479
"413603"	194.896088	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+Na+K"	61.952376
"775692"	276.856038	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+Na+K"	61.952376
"1674215"	112.936138	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Na+K"	61.952376
"260734"	391.855568	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+ACN+Na"	64.015768
"1232351"	227.935668	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+ACN+Na"	64.015768
"1720145"	227.959193	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+NH4+HCOOH"	64.039293
"1185495"	77.6291846666667	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+3Na"	68.967654
"1658310"	232.914588	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Na+HCOOH"	68.994688
"166265"	404.75884	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+2K-H"	76.91904
"609106"	568.67874	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+2K-H"	76.91904
"1091795"	240.83894	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2K-H"	76.91904
"148610"	202.883058	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"2M+2K"	77.926316
"586712"	284.843008	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"3M+2K"	77.926316
"1071588"	120.923108	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2K"	77.926316
"1100905"	242.853492	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2K+H"	78.933592
"1336556"	242.941107	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+DMSO+H"	79.021207
"1010809"	246.980276	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2ACN+H"	83.060376
"1525410"	247.973908	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+IsoProp+Na+H"	84.054008
"992469"	123.993776	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+2ACN+2H"	84.067652
"1593170"	248.888528	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+K+HCOOH"	84.968628
"1418099"	278.920038	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+H+CF3COOH"	115.000138
"1148386"	144.507051	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+3ACN+2H"	125.094202
"1703046"	295.946585	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+NH4+CF3COOH"	132.026685
"1637602"	300.90198	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+Na+CF3COOH"	136.98208
"1571346"	316.87592	"C06899"	"Chloral hydrate"	"C2H3Cl3O2"	"163.9199"	"M+K+CF3COOH"	152.95602
"815649"	303.0793	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M"	0
"980432"	284.06091	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-H2O-H"	-19.01839
"75238"	201.045590666667	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M-3H"	-3.021828
"515894"	302.072024	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M-3H"	-3.021828
"894791"	100.019157333333	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-3H"	-3.021828
"11179"	302.072024	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M-2H"	-2.014552
"452925"	453.611674	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M-2H"	-2.014552
"831947"	150.532374	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-2H"	-2.014552
"93891"	605.151324	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M-H"	-1.007276
"532232"	908.230624	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M-H"	-1.007276
"908082"	302.072024	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-H"	-1.007276
"59176"	622.177871	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M-2H+NH4"	16.019271
"501777"	925.257171	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M-2H+NH4"	16.019271
"877269"	319.098571	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-2H+NH4"	16.019271
"42253"	627.133266	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M-2H+Na"	20.974666
"479626"	930.212566	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M-2H+Na"	20.974666
"854148"	324.053966	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-2H+Na"	20.974666
"1626962"	324.053966	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Na-2H"	20.974666
"104583"	320.060363	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M-H+Cl"	33.962126
"545239"	471.600013	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M-H+Cl"	33.962126
"940219"	168.520713	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-H+Cl"	33.962126
"275129"	641.128002	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+Cl"	34.969402
"673019"	944.207302	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+Cl"	34.969402
"1282141"	338.048702	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Cl"	34.969402
"26883"	643.107206	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M-2H+K"	36.948606
"460977"	946.186506	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M-2H+K"	36.948606
"844248"	340.027906	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-2H+K"	36.948606
"1565548"	340.027906	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+K-2H"	36.948606
"946870"	348.077494	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-H+HCOOH"	44.998194
"371645"	651.156801	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+HCOOH-H"	44.998201
"354435"	665.172451	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+Hac-H"	59.013851
"1504360"	362.093151	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Hac-H"	59.013851
"965340"	370.059451	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-H+NaCOOH"	66.980151
"115341"	338.048702	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+2Cl"	69.938804
"558182"	489.588352	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+2Cl"	69.938804
"1026982"	186.509052	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2Cl"	69.938804
"1247660"	381.998185	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Br"	78.918885
"1312298"	384.054172	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Cl+HCOOH"	80.974872
"1329793"	406.036129	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Cl+NaCOOH"	102.956829
"921946"	416.064886	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M-H+CF3COOH"	112.985586
"1301208"	452.041564	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Cl+CF3COOH"	148.962264
"1380099"	268.066624	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H-2H2O"	-35.012676
"1393219"	286.0766	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H-H2O"	-17.0027
"290717"	607.165876	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+H"	1.007276
"677672"	910.245176	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+H"	1.007276
"1357301"	304.086576	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H"	1.007276
"131281"	304.086576	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+2H"	2.014552
"577049"	455.626226	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+2H"	2.014552
"1044025"	152.546926	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2H"	2.014552
"210831"	203.060142666667	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+3H"	3.021828
"650389"	304.086576	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+3H"	3.021828
"1175811"	102.033709333333	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+3H"	3.021828
"433977"	624.192423	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+NH4"	18.033823
"792784"	927.271723	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+NH4"	18.033823
"1695317"	321.113123	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+NH4"	18.033823
"341772"	312.5998495	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+H+NH4"	19.041099
"729817"	464.1394995	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+H+NH4"	19.041099
"1482545"	161.0601995	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H+NH4"	19.041099
"397942"	629.147818	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+Na"	22.989218
"767692"	932.227118	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+Na"	22.989218
"1614695"	326.068518	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Na"	22.989218
"326563"	315.077547	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+H+Na"	23.996494
"718979"	466.617197	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+H+Na"	23.996494
"1470983"	163.537897	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H+Na"	23.996494
"1066051"	109.361023333333	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2H+Na"	25.00377
"1268822"	336.112786	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+CH3OH+H"	33.033486
"385937"	645.121758	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+K"	38.963158
"746565"	948.201058	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+K"	38.963158
"1545338"	342.042458	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+K"	38.963158
"298984"	323.064517	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+H+K"	39.970434
"691469"	474.604167	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+H+K"	39.970434
"1450942"	171.524867	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H+K"	39.970434
"237721"	648.192426	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+ACN+H"	42.033826
"1219549"	345.113126	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+ACN+H"	42.033826
"1199421"	173.060201	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+ACN+2H"	43.041102
"203931"	651.12976	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+2Na-H"	44.97116
"640611"	954.20906	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+2Na-H"	44.97116
"1145698"	348.05046	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2Na-H"	44.97116
"186310"	326.068518	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+2Na"	45.978436
"625871"	477.608168	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+2Na"	45.978436
"1127193"	174.528868	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2Na"	45.978436
"1409622"	116.688337333333	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H+2Na"	46.985712
"1438458"	350.092046	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H+HCOOH"	47.012746
"229244"	331.10154	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+3H2O+2H"	56.04448
"1518769"	364.14409	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+IsoProp+H"	61.06479
"417360"	334.055488	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+Na+K"	61.952376
"779082"	485.595138	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+Na+K"	61.952376
"1676151"	182.515838	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Na+K"	61.952376
"264492"	670.174368	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+ACN+Na"	64.015768
"1235743"	367.095068	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+ACN+Na"	64.015768
"1720255"	367.118593	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+NH4+HCOOH"	64.039293
"1186336"	124.015651333333	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+3Na"	68.967654
"1659514"	372.073988	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Na+HCOOH"	68.994688
"170021"	683.07764	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+2K-H"	76.91904
"609580"	986.15694	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+2K-H"	76.91904
"1095186"	379.99834	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2K-H"	76.91904
"153824"	342.042458	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"2M+2K"	77.926316
"586822"	493.582108	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"3M+2K"	77.926316
"1074614"	190.502808	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2K"	77.926316
"1102717"	382.012892	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2K+H"	78.933592
"1337155"	382.100507	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+DMSO+H"	79.021207
"1010919"	386.139676	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2ACN+H"	83.060376
"1530139"	387.133308	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+IsoProp+Na+H"	84.054008
"993310"	193.573476	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+2ACN+2H"	84.067652
"1592186"	388.047928	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+K+HCOOH"	84.968628
"1415657"	418.079438	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+H+CF3COOH"	115.000138
"1147319"	214.086751	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+3ACN+2H"	125.094202
"1703156"	435.105985	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+NH4+CF3COOH"	132.026685
"1637712"	440.06138	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+Na+CF3COOH"	136.98208
"1578830"	456.03532	"C06900"	"Chlorambucil"	"C14H19Cl2NO2"	"303.0793"	"M+K+CF3COOH"	152.95602
"809197"	504.2032	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M"	0
"979449"	485.18481	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-H2O-H"	-19.01839
"70973"	335.128190666667	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M-3H"	-3.021828
"509441"	503.195924	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M-3H"	-3.021828
"893803"	167.060457333333	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-3H"	-3.021828
"14568"	503.195924	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M-2H"	-2.014552
"455223"	755.297524	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M-2H"	-2.014552
"830836"	251.094324	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-2H"	-2.014552
"94198"	1007.399124	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M-H"	-1.007276
"534041"	1511.602324	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M-H"	-1.007276
"903815"	503.195924	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-H"	-1.007276
"59286"	1024.425671	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M-2H+NH4"	16.019271
"497752"	1528.628871	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M-2H+NH4"	16.019271
"879378"	520.222471	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-2H+NH4"	16.019271
"45643"	1029.381066	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M-2H+Na"	20.974666
"483015"	1533.584266	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M-2H+Na"	20.974666
"863252"	525.177866	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-2H+Na"	20.974666
"1632905"	525.177866	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Na-2H"	20.974666
"105786"	521.184263	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M-H+Cl"	33.962126
"546441"	773.285863	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M-H+Cl"	33.962126
"935589"	269.082663	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-H+Cl"	33.962126
"273051"	1043.375802	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+Cl"	34.969402
"669848"	1547.579002	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+Cl"	34.969402
"1284438"	539.172602	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Cl"	34.969402
"26992"	1045.355006	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M-2H+K"	36.948606
"466554"	1549.558206	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M-2H+K"	36.948606
"836702"	541.151806	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-2H+K"	36.948606
"1561284"	541.151806	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+K-2H"	36.948606
"955729"	549.201394	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-H+HCOOH"	44.998194
"370663"	1053.404601	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+HCOOH-H"	44.998201
"357828"	1067.420251	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+Hac-H"	59.013851
"1504475"	563.217051	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Hac-H"	59.013851
"965452"	571.183351	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-H+NaCOOH"	66.980151
"120920"	539.172602	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+2Cl"	69.938804
"558294"	791.274202	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+2Cl"	69.938804
"1032560"	287.071002	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2Cl"	69.938804
"1245574"	583.122085	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Br"	78.918885
"1312408"	585.178072	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Cl+HCOOH"	80.974872
"1332091"	607.160029	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Cl+NaCOOH"	102.956829
"923150"	617.188786	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M-H+CF3COOH"	112.985586
"1299860"	653.165464	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Cl+CF3COOH"	148.962264
"1380936"	469.190524	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H-2H2O"	-35.012676
"1393329"	487.2005	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H-H2O"	-17.0027
"290827"	1009.413676	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+H"	1.007276
"687261"	1513.616876	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+H"	1.007276
"1360693"	505.210476	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H"	1.007276
"132486"	505.210476	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+2H"	2.014552
"573148"	757.312076	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+2H"	2.014552
"1043042"	253.108876	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2H"	2.014552
"209846"	337.142742666667	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+3H"	3.021828
"649407"	505.210476	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+3H"	3.021828
"1178191"	169.075009333333	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+3H"	3.021828
"434088"	1026.440223	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+NH4"	18.033823
"793989"	1530.643423	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+NH4"	18.033823
"1695791"	522.237023	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+NH4"	18.033823
"341882"	513.7237495	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+H+NH4"	19.041099
"732114"	765.8253495	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+H+NH4"	19.041099
"1484842"	261.6221495	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H+NH4"	19.041099
"401333"	1031.395618	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+Na"	22.989218
"765614"	1535.598818	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+Na"	22.989218
"1613712"	527.192418	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Na"	22.989218
"327764"	516.201447	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+H+Na"	23.996494
"720546"	768.303047	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+H+Na"	23.996494
"1474373"	264.099847	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H+Na"	23.996494
"1066525"	176.402323333333	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2H+Na"	25.00377
"1269660"	537.236686	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+CH3OH+H"	33.033486
"387504"	1047.369558	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+K"	38.963158
"745582"	1551.572758	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+K"	38.963158
"1544355"	543.166358	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+K"	38.963158
"298975"	524.188417	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+H+K"	39.970434
"694310"	776.290017	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+H+K"	39.970434
"1449960"	272.086817	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H+K"	39.970434
"240748"	1050.440226	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+ACN+H"	42.033826
"1218930"	546.237026	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+ACN+H"	42.033826
"1200625"	273.622151	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+ACN+2H"	43.041102
"200424"	1053.37756	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+2Na-H"	44.97116
"639255"	1557.58076	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+2Na-H"	44.97116
"1145320"	549.17436	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2Na-H"	44.97116
"185692"	527.192418	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+2Na"	45.978436
"625985"	779.294018	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+2Na"	45.978436
"1127300"	275.090818	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2Na"	45.978436
"1409731"	183.729637333333	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H+2Na"	46.985712
"1441487"	551.215946	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H+HCOOH"	47.012746
"231545"	532.22544	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+3H2O+2H"	56.04448
"1523499"	565.26799	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+IsoProp+H"	61.06479
"420753"	535.179388	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+Na+K"	61.952376
"779192"	787.280988	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+Na+K"	61.952376
"1679178"	283.077788	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Na+K"	61.952376
"264238"	1072.422168	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+ACN+Na"	64.015768
"1237311"	568.218968	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+ACN+Na"	64.015768
"1722188"	568.242493	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+NH4+HCOOH"	64.039293
"1188633"	191.056951333333	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+3Na"	68.967654
"1663270"	573.197888	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Na+HCOOH"	68.994688
"169037"	1085.32544	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+2K-H"	76.91904
"608597"	1589.52864	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+2K-H"	76.91904
"1097483"	581.12224	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2K-H"	76.91904
"153569"	543.166358	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"2M+2K"	77.926316
"587296"	795.267958	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"3M+2K"	77.926316
"1078368"	291.064758	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2K"	77.926316
"1103920"	583.136792	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2K+H"	78.933592
"1338119"	583.224407	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+DMSO+H"	79.021207
"1014309"	587.263576	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2ACN+H"	83.060376
"1529154"	588.257208	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+IsoProp+Na+H"	84.054008
"993417"	294.135426	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+2ACN+2H"	84.067652
"1590109"	589.171828	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+K+HCOOH"	84.968628
"1414792"	619.203338	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+H+CF3COOH"	115.000138
"1147268"	314.648701	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+3ACN+2H"	125.094202
"1703266"	636.229885	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+NH4+CF3COOH"	132.026685
"1637822"	641.18528	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+Na+CF3COOH"	136.98208
"1578940"	657.15922	"C06902"	"Chlorhexidine"	"C22H30Cl2N10"	"504.2032"	"M+K+CF3COOH"	152.95602
"809307"	274.1237	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M"	0
"979559"	255.10531	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-H2O-H"	-19.01839
"68896"	181.741857333333	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M-3H"	-3.021828
"509551"	273.116424	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M-3H"	-3.021828
"884072"	90.3672906666666	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-3H"	-3.021828
"10304"	273.116424	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M-2H"	-2.014552
"450959"	410.178274	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M-2H"	-2.014552
"829852"	136.054574	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-2H"	-2.014552
"94018"	547.240124	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M-H"	-1.007276
"530499"	821.363824	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M-H"	-1.007276
"901738"	273.116424	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-H"	-1.007276
"59396"	564.266671	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M-2H+NH4"	16.019271
"498955"	838.390371	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M-2H+NH4"	16.019271
"877485"	290.142971	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-2H+NH4"	16.019271
"45631"	569.222066	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M-2H+Na"	20.974666
"486933"	843.345766	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M-2H+Na"	20.974666
"862753"	295.098366	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-2H+Na"	20.974666
"1631555"	295.098366	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Na-2H"	20.974666
"105896"	291.104763	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M-H+Cl"	33.962126
"544364"	428.166613	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M-H+Cl"	33.962126
"940067"	154.042913	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-H+Cl"	33.962126
"277531"	583.216802	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+Cl"	34.969402
"665585"	857.340502	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+Cl"	34.969402
"1280174"	309.093102	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Cl"	34.969402
"27102"	585.196006	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M-2H+K"	36.948606
"464477"	859.319706	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M-2H+K"	36.948606
"835719"	311.072306	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-2H+K"	36.948606
"1561394"	311.072306	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+K-2H"	36.948606
"955839"	319.121894	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-H+HCOOH"	44.998194
"372960"	593.245601	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+HCOOH-H"	44.998201
"360126"	607.261251	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+Hac-H"	59.013851
"1506408"	333.137551	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Hac-H"	59.013851
"972122"	341.103851	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-H+NaCOOH"	66.980151
"124189"	309.093102	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+2Cl"	69.938804
"561684"	446.154952	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+2Cl"	69.938804
"1033763"	172.031252	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2Cl"	69.938804
"1247871"	353.042585	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Br"	78.918885
"1313600"	355.098572	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Cl+HCOOH"	80.974872
"1332930"	377.080529	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Cl+NaCOOH"	102.956829
"923260"	387.109286	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M-H+CF3COOH"	112.985586
"1298875"	423.085964	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Cl+CF3COOH"	148.962264
"1379225"	239.111024	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H-2H2O"	-35.012676
"1395625"	257.121	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H-H2O"	-17.0027
"294217"	549.254676	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+H"	1.007276
"686642"	823.378376	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+H"	1.007276
"1360802"	275.130976	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H"	1.007276
"132596"	275.130976	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+2H"	2.014552
"574351"	412.192826	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+2H"	2.014552
"1040232"	138.069126	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2H"	2.014552
"208496"	183.756409333333	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+3H"	3.021828
"649881"	275.130976	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+3H"	3.021828
"1177369"	92.3818426666667	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+3H"	3.021828
"434198"	566.281223	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+NH4"	18.033823
"797013"	840.404923	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+NH4"	18.033823
"1695173"	292.157523	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+NH4"	18.033823
"341992"	283.6442495	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+H+NH4"	19.041099
"732225"	420.7060995	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+H+NH4"	19.041099
"1487139"	146.5823995	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H+NH4"	19.041099
"402538"	571.236618	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+Na"	22.989218
"763537"	845.360318	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+Na"	22.989218
"1610541"	297.112918	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Na"	22.989218
"329333"	286.121947	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+H+Na"	23.996494
"721022"	423.183797	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+H+Na"	23.996494
"1475577"	149.060097	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H+Na"	23.996494
"1067728"	99.7091566666667	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2H+Na"	25.00377
"1270134"	307.157186	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+CH3OH+H"	33.033486
"388707"	587.210558	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+K"	38.963158
"744599"	861.334258	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+K"	38.963158
"1544465"	313.086858	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+K"	38.963158
"300908"	294.108917	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+H+K"	39.970434
"695152"	431.170767	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+H+K"	39.970434
"1448240"	157.047067	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H+K"	39.970434
"241951"	590.281226	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+ACN+H"	42.033826
"1223779"	316.157526	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+ACN+H"	42.033826
"1207296"	158.582401	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+ACN+2H"	43.041102
"203087"	593.21856	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+2Na-H"	44.97116
"642281"	867.34226	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+2Na-H"	44.97116
"1145065"	319.09486	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2Na-H"	44.97116
"186169"	297.112918	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+2Na"	45.978436
"625728"	434.174768	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+2Na"	45.978436
"1126318"	160.051068	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2Na"	45.978436
"1412762"	107.036470666667	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H+2Na"	46.985712
"1443785"	321.136446	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H+HCOOH"	47.012746
"233112"	302.14594	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+3H2O+2H"	56.04448
"1523001"	335.18849	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+IsoProp+H"	61.06479
"420131"	305.099888	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+Na+K"	61.952376
"780395"	442.161738	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+Na+K"	61.952376
"1677100"	168.038038	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Na+K"	61.952376
"263984"	612.263168	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+ACN+Na"	64.015768
"1238152"	338.139468	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+ACN+Na"	64.015768
"1723756"	338.162993	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+NH4+HCOOH"	64.039293
"1188013"	114.363784666667	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+3Na"	68.967654
"1662287"	343.118388	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Na+HCOOH"	68.994688
"169147"	625.16644	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+2K-H"	76.91904
"608707"	899.29014	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+2K-H"	76.91904
"1098567"	351.04274	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2K-H"	76.91904
"153679"	313.086858	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"2M+2K"	77.926316
"585219"	450.148708	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"3M+2K"	77.926316
"1075198"	176.025008	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2K"	77.926316
"1102208"	353.057292	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2K+H"	78.933592
"1336039"	353.144907	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+DMSO+H"	79.021207
"1015513"	357.184076	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2ACN+H"	83.060376
"1533637"	358.177708	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+IsoProp+Na+H"	84.054008
"995715"	179.095676	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+2ACN+2H"	84.067652
"1592406"	359.092328	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+K+HCOOH"	84.968628
"1414906"	389.123838	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+H+CF3COOH"	115.000138
"1147336"	199.608951	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+3ACN+2H"	125.094202
"1703376"	406.150385	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+NH4+CF3COOH"	132.026685
"1637932"	411.10578	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+Na+CF3COOH"	136.98208
"1579050"	427.07972	"C06905"	"Chlorpheniramine;Chlorphenamine"	"C16H19ClN2"	"274.1237"	"M+K+CF3COOH"	152.95602
"809417"	318.0957	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M"	0
"978575"	299.07731	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-H2O-H"	-19.01839
"72286"	211.056524	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M-3H"	-3.021828
"512941"	317.088424	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M-3H"	-3.021828
"892930"	105.024624	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-3H"	-3.021828
"13696"	317.088424	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M-2H"	-2.014552
"455203"	476.136274	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M-2H"	-2.014552
"831913"	158.040574	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-2H"	-2.014552
"93483"	635.184124	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M-H"	-1.007276
"533445"	953.279824	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M-H"	-1.007276
"907315"	317.088424	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-H"	-1.007276
"59502"	652.210671	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M-2H+NH4"	16.019271
"499063"	970.306371	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M-2H+NH4"	16.019271
"878207"	334.114971	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-2H+NH4"	16.019271
"44160"	657.166066	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M-2H+Na"	20.974666
"485910"	975.261766	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M-2H+Na"	20.974666
"862744"	339.070366	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-2H+Na"	20.974666
"1630937"	339.070366	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Na-2H"	20.974666
"106006"	335.076763	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M-H+Cl"	33.962126
"544474"	494.124613	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M-H+Cl"	33.962126
"937991"	176.028913	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-H+Cl"	33.962126
"277641"	671.160802	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+Cl"	34.969402
"664594"	989.256502	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+Cl"	34.969402
"1277004"	353.065102	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Cl"	34.969402
"29399"	673.140006	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M-2H+K"	36.948606
"464584"	991.235706	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M-2H+K"	36.948606
"835829"	355.044306	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-2H+K"	36.948606
"1561504"	355.044306	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+K-2H"	36.948606
"950480"	363.093894	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-H+HCOOH"	44.998194
"371976"	681.189601	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+HCOOH-H"	44.998201
"359142"	695.205251	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+Hac-H"	59.013851
"1502505"	377.109551	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Hac-H"	59.013851
"968952"	385.075851	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-H+NaCOOH"	66.980151
"125152"	353.065102	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+2Cl"	69.938804
"560702"	512.112952	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+2Cl"	69.938804
"1032781"	194.017252	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2Cl"	69.938804
"1250169"	397.014585	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Br"	78.918885
"1310431"	399.070572	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Cl+HCOOH"	80.974872
"1330125"	421.052529	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Cl+NaCOOH"	102.956829
"924099"	431.081286	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M-H+CF3COOH"	112.985586
"1300078"	467.057964	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Cl+CF3COOH"	148.962264
"1380427"	283.083024	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H-2H2O"	-35.012676
"1392455"	301.093	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H-H2O"	-17.0027
"291047"	637.198676	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+H"	1.007276
"687845"	955.294376	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+H"	1.007276
"1362005"	319.102976	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H"	1.007276
"132706"	319.102976	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+2H"	2.014552
"574461"	478.150826	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+2H"	2.014552
"1042530"	160.055126	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2H"	2.014552
"208606"	213.071076	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+3H"	3.021828
"650720"	319.102976	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+3H"	3.021828
"1176386"	107.039176	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+3H"	3.021828
"435401"	654.225223	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+NH4"	18.033823
"794207"	972.320923	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+NH4"	18.033823
"1696788"	336.129523	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+NH4"	18.033823
"343195"	327.6162495	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+H+NH4"	19.041099
"731242"	486.6640995	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+H+NH4"	19.041099
"1486156"	168.5683995	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H+NH4"	19.041099
"402648"	659.180618	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+Na"	22.989218
"763647"	977.276318	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+Na"	22.989218
"1609558"	341.084918	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Na"	22.989218
"328839"	330.093947	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+H+Na"	23.996494
"720038"	489.141797	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+H+Na"	23.996494
"1474592"	171.046097	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H+Na"	23.996494
"1067473"	114.36649	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2H+Na"	25.00377
"1267328"	351.129186	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+CH3OH+H"	33.033486
"387724"	675.154558	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+K"	38.963158
"746897"	993.250258	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+K"	38.963158
"1544576"	357.058858	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+K"	38.963158
"299562"	338.080917	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+H+K"	39.970434
"693074"	497.128767	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+H+K"	39.970434
"1450174"	179.033067	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H+K"	39.970434
"237686"	678.225226	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+ACN+H"	42.033826
"1221702"	360.129526	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+ACN+H"	42.033826
"1198657"	180.568401	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+ACN+2H"	43.041102
"203323"	681.16256	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+2Na-H"	44.97116
"642758"	999.25826	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+2Na-H"	44.97116
"1142990"	363.06686	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2Na-H"	44.97116
"185552"	341.084918	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+2Na"	45.978436
"623287"	500.132768	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+2Na"	45.978436
"1123148"	182.037068	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2Na"	45.978436
"1407403"	121.693804	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H+2Na"	46.985712
"1438789"	365.108446	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H+HCOOH"	47.012746
"232133"	346.11794	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+3H2O+2H"	56.04448
"1520921"	379.16049	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+IsoProp+H"	61.06479
"418418"	349.071888	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+Na+K"	61.952376
"778320"	508.119738	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+Na+K"	61.952376
"1677575"	190.024038	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Na+K"	61.952376
"263729"	700.207168	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+ACN+Na"	64.015768
"1238263"	382.111468	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+ACN+Na"	64.015768
"1725690"	382.134993	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+NH4+HCOOH"	64.039293
"1191405"	129.021118	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+3Na"	68.967654
"1662764"	387.090388	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Na+HCOOH"	68.994688
"171446"	713.11044	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+2K-H"	76.91904
"610277"	1031.20614	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+2K-H"	76.91904
"1099614"	395.01474	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2K-H"	76.91904
"156101"	357.058858	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"2M+2K"	77.926316
"590796"	516.106708	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"3M+2K"	77.926316
"1075308"	198.011008	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2K"	77.926316
"1103048"	397.029292	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2K+H"	78.933592
"1338339"	397.116907	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+DMSO+H"	79.021207
"1019996"	401.156076	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2ACN+H"	83.060376
"1533747"	402.149708	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+IsoProp+Na+H"	84.054008
"994732"	201.081676	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+2ACN+2H"	84.067652
"1590332"	403.064328	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+K+HCOOH"	84.968628
"1417083"	433.095838	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+H+CF3COOH"	115.000138
"1148098"	221.594951	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+3ACN+2H"	125.094202
"1706767"	450.122385	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+NH4+CF3COOH"	132.026685
"1641323"	455.07778	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+Na+CF3COOH"	136.98208
"1579160"	471.05172	"C06906"	"Chlorpromazine"	"C17H19ClN2S"	"318.0957"	"M+K+CF3COOH"	152.95602
"809527"	279.062	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M"	0
"980872"	260.04361	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-H2O-H"	-19.01839
"75676"	185.034057333333	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M-3H"	-3.021828
"513051"	278.054724	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M-3H"	-3.021828
"893040"	92.0133906666667	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-3H"	-3.021828
"13805"	278.054724	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M-2H"	-2.014552
"454583"	417.585724	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M-2H"	-2.014552
"832265"	138.523724	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-2H"	-2.014552
"93920"	557.116724	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M-H"	-1.007276
"533030"	836.178724	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M-H"	-1.007276
"907425"	278.054724	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-H"	-1.007276
"57425"	574.143271	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M-2H+NH4"	16.019271
"500145"	853.205271	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M-2H+NH4"	16.019271
"875879"	295.081271	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-2H+NH4"	16.019271
"42689"	579.098666	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M-2H+Na"	20.974666
"485537"	858.160666	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M-2H+Na"	20.974666
"862854"	300.036666	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-2H+Na"	20.974666
"1631773"	300.036666	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Na-2H"	20.974666
"106116"	296.043063	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M-H+Cl"	33.962126
"544584"	435.574063	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M-H+Cl"	33.962126
"940166"	156.512063	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-H+Cl"	33.962126
"280673"	593.093402	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+Cl"	34.969402
"672361"	872.155402	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+Cl"	34.969402
"1280394"	314.031402	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Cl"	34.969402
"26230"	595.072606	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M-2H+K"	36.948606
"467977"	874.134606	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M-2H+K"	36.948606
"835939"	316.010606	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-2H+K"	36.948606
"1561614"	316.010606	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+K-2H"	36.948606
"954965"	324.060194	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-H+HCOOH"	44.998194
"370993"	603.122201	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+HCOOH-H"	44.998201
"359250"	617.137851	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+Hac-H"	59.013851
"1503708"	338.075851	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Hac-H"	59.013851
"969063"	346.042151	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-H+NaCOOH"	66.980151
"123439"	314.031402	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+2Cl"	69.938804
"562999"	453.562402	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+2Cl"	69.938804
"1035078"	174.500402	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2Cl"	69.938804
"1250279"	357.980885	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Br"	78.918885
"1310542"	360.036872	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Cl+HCOOH"	80.974872
"1332422"	382.018829	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Cl+NaCOOH"	102.956829
"923480"	392.047586	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M-H+CF3COOH"	112.985586
"1300188"	428.024264	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Cl+CF3COOH"	148.962264
"1378350"	244.049324	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H-2H2O"	-35.012676
"1392565"	262.0593	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H-H2O"	-17.0027
"295532"	559.131276	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+H"	1.007276
"689049"	838.193276	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+H"	1.007276
"1362115"	280.069276	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H"	1.007276
"132816"	280.069276	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+2H"	2.014552
"575664"	419.600276	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+2H"	2.014552
"1042276"	140.538276	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2H"	2.014552
"210173"	187.048609333333	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+3H"	3.021828
"650830"	280.069276	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+3H"	3.021828
"1177835"	94.0279426666667	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+3H"	3.021828
"437697"	576.157823	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+NH4"	18.033823
"794317"	855.219823	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+NH4"	18.033823
"1695029"	297.095823	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+NH4"	18.033823
"340025"	288.5825495	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+H+NH4"	19.041099
"733537"	428.1135495	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+H+NH4"	19.041099
"1488452"	149.0515495	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H+NH4"	19.041099
"404579"	581.113218	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+Na"	22.989218
"764845"	860.175218	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+Na"	22.989218
"1609668"	302.051218	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Na"	22.989218
"328339"	291.060247	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+H+Na"	23.996494
"719786"	430.591247	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+H+Na"	23.996494
"1471425"	151.529247	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H+Na"	23.996494
"1066249"	101.355256666667	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2H+Na"	25.00377
"1267438"	312.095486	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+CH3OH+H"	33.033486
"386012"	597.087158	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+K"	38.963158
"747007"	876.149158	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+K"	38.963158
"1544686"	318.025158	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+K"	38.963158
"300400"	299.047217	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+H+K"	39.970434
"693549"	438.578217	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+H+K"	39.970434
"1449190"	159.516217	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H+K"	39.970434
"237794"	600.157826	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+ACN+H"	42.033826
"1220719"	321.095826	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+ACN+H"	42.033826
"1198767"	161.051551	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+ACN+2H"	43.041102
"200386"	603.09516	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+2Na-H"	44.97116
"639945"	882.15716	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+2Na-H"	44.97116
"1144194"	324.03316	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2Na-H"	44.97116
"184567"	302.051218	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+2Na"	45.978436
"624493"	441.582218	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+2Na"	45.978436
"1123260"	162.520218	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2Na"	45.978436
"1408971"	108.682570666667	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H+2Na"	46.985712
"1439992"	326.074746	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H+HCOOH"	47.012746
"231875"	307.08424	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+3H2O+2H"	56.04448
"1518842"	340.12679	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+IsoProp+H"	61.06479
"418528"	310.038188	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+Na+K"	61.952376
"777337"	449.569188	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+Na+K"	61.952376
"1677685"	170.507188	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Na+K"	61.952376
"264568"	622.139768	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+ACN+Na"	64.015768
"1239102"	343.077768	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+ACN+Na"	64.015768
"1726406"	343.101293	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+NH4+HCOOH"	64.039293
"1190422"	116.009884666667	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+3Na"	68.967654
"1664940"	348.056688	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Na+HCOOH"	68.994688
"172046"	635.04304	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+2K-H"	76.91904
"611481"	914.10504	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+2K-H"	76.91904
"1099764"	355.98104	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2K-H"	76.91904
"156211"	318.025158	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"2M+2K"	77.926316
"590906"	457.556158	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"3M+2K"	77.926316
"1075418"	178.494158	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2K"	77.926316
"1102065"	357.995592	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2K+H"	78.933592
"1341729"	358.083207	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+DMSO+H"	79.021207
"1019012"	362.122376	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2ACN+H"	83.060376
"1532764"	363.116008	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+IsoProp+Na+H"	84.054008
"995936"	181.564826	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+2ACN+2H"	84.067652
"1593722"	364.030628	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+K+HCOOH"	84.968628
"1419380"	394.062138	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+H+CF3COOH"	115.000138
"1149667"	202.078101	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+3ACN+2H"	125.094202
"1706877"	411.088685	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+NH4+CF3COOH"	132.026685
"1641433"	416.04408	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+Na+CF3COOH"	136.98208
"1579270"	432.01802	"C06909"	"Cidofovir;Cidofovir anhydrous"	"C8H14N3O6P"	"279.062"	"M+K+CF3COOH"	152.95602
"813649"	465.1831	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M"	0
"986449"	446.16471	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-H2O-H"	-19.01839
"77855"	309.114790666667	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M-3H"	-3.021828
"509881"	464.175824	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M-3H"	-3.021828
"892786"	154.053757333333	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-3H"	-3.021828
"13915"	464.175824	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M-2H"	-2.014552
"454206"	696.767374	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M-2H"	-2.014552
"831277"	231.584274	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-2H"	-2.014552
"94068"	929.358924	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M-H"	-1.007276
"533626"	1394.542024	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M-H"	-1.007276
"910822"	464.175824	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-H"	-1.007276
"62034"	946.385471	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M-2H+NH4"	16.019271
"500255"	1411.568571	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M-2H+NH4"	16.019271
"875990"	481.202371	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-2H+NH4"	16.019271
"45961"	951.340866	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M-2H+Na"	20.974666
"486500"	1416.523966	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M-2H+Na"	20.974666
"863324"	486.157766	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-2H+Na"	20.974666
"1631762"	486.157766	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Na-2H"	20.974666
"102945"	482.164163	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M-H+Cl"	33.962126
"541413"	714.755713	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M-H+Cl"	33.962126
"933834"	249.572613	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-H+Cl"	33.962126
"278958"	965.335602	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+Cl"	34.969402
"673565"	1430.518702	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+Cl"	34.969402
"1283781"	500.152502	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Cl"	34.969402
"28163"	967.314806	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M-2H+K"	36.948606
"461524"	1432.497906	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M-2H+K"	36.948606
"837142"	502.131706	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-2H+K"	36.948606
"1563911"	502.131706	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+K-2H"	36.948606
"955076"	510.181294	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-H+HCOOH"	44.998194
"373293"	975.364401	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+HCOOH-H"	44.998201
"359002"	989.380051	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+Hac-H"	59.013851
"1501632"	524.196951	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Hac-H"	59.013851
"968080"	532.163251	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-H+NaCOOH"	66.980151
"122455"	500.152502	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+2Cl"	69.938804
"559828"	732.744052	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+2Cl"	69.938804
"1027534"	267.560952	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2Cl"	69.938804
"1243100"	544.101985	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Br"	78.918885
"1307372"	546.157972	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Cl+HCOOH"	80.974872
"1322682"	568.139929	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Cl+NaCOOH"	102.956829
"924684"	578.168686	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M-H+CF3COOH"	112.985586
"1300298"	614.145364	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Cl+CF3COOH"	148.962264
"1378460"	430.170424	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H-2H2O"	-35.012676
"1394862"	448.1804	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H-H2O"	-17.0027
"295642"	931.373476	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+H"	1.007276
"690254"	1396.556576	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+H"	1.007276
"1358945"	466.190376	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H"	1.007276
"129646"	466.190376	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+2H"	2.014552
"575774"	698.781926	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+2H"	2.014552
"1048946"	233.598826	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2H"	2.014552
"209919"	311.129342666667	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+3H"	3.021828
"650940"	466.190376	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+3H"	3.021828
"1177214"	156.068309333333	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+3H"	3.021828
"439144"	948.400023	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+NH4"	18.033823
"791147"	1413.583123	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+NH4"	18.033823
"1695867"	483.216923	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+NH4"	18.033823
"343781"	474.7036495	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+H+NH4"	19.041099
"734740"	707.2951995	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+H+NH4"	19.041099
"1489653"	242.1120995	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H+NH4"	19.041099
"403960"	953.355418	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+Na"	22.989218
"764955"	1418.538518	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+Na"	22.989218
"1609778"	488.172318	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Na"	22.989218
"328090"	477.181347	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+H+Na"	23.996494
"720625"	709.772897	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+H+Na"	23.996494
"1474812"	244.589797	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H+Na"	23.996494
"1066236"	163.395623333333	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2H+Na"	25.00377
"1267548"	498.216586	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+CH3OH+H"	33.033486
"386122"	969.329358	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+K"	38.963158
"747117"	1434.512458	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+K"	38.963158
"1544796"	504.146258	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+K"	38.963158
"301604"	485.168317	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+H+K"	39.970434
"696576"	717.759867	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+H+K"	39.970434
"1449300"	252.576767	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H+K"	39.970434
"240092"	972.400026	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+ACN+H"	42.033826
"1221557"	507.216926	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+ACN+H"	42.033826
"1204344"	254.112101	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+ACN+2H"	43.041102
"201589"	975.33736	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+2Na-H"	44.97116
"640055"	1440.52046	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+2Na-H"	44.97116
"1142480"	510.15426	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2Na-H"	44.97116
"182489"	488.172318	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+2Na"	45.978436
"625330"	720.763868	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+2Na"	45.978436
"1120090"	255.580768	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2Na"	45.978436
"1403614"	170.722937333333	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H+2Na"	46.985712
"1441196"	512.195846	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H+HCOOH"	47.012746
"228703"	493.20534	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+3H2O+2H"	56.04448
"1516765"	526.24789	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+IsoProp+H"	61.06479
"418638"	496.159288	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+Na+K"	61.952376
"777447"	728.750838	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+Na+K"	61.952376
"1678159"	263.567738	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Na+K"	61.952376
"262489"	994.381968	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+ACN+Na"	64.015768
"1234106"	529.198868	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+ACN+Na"	64.015768
"1725179"	529.222393	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+NH4+HCOOH"	64.039293
"1186159"	178.050251333333	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+3Na"	68.967654
"1664444"	534.177788	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Na+HCOOH"	68.994688
"171544"	1007.28524	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+2K-H"	76.91904
"610132"	1472.46834	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+2K-H"	76.91904
"1098900"	542.10214	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2K-H"	76.91904
"156568"	504.146258	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"2M+2K"	77.926316
"593203"	736.737808	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"3M+2K"	77.926316
"1075528"	271.554708	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2K"	77.926316
"1104362"	544.116692	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2K+H"	78.933592
"1340746"	544.204307	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+DMSO+H"	79.021207
"1015843"	548.243476	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2ACN+H"	83.060376
"1531781"	549.237108	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+IsoProp+Na+H"	84.054008
"998233"	274.625376	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+2ACN+2H"	84.067652
"1591646"	550.151728	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+K+HCOOH"	84.968628
"1419491"	580.183238	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+H+CF3COOH"	115.000138
"1149778"	295.138651	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+3ACN+2H"	125.094202
"1710267"	597.209785	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+NH4+CF3COOH"	132.026685
"1647010"	602.16518	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+Na+CF3COOH"	136.98208
"1579380"	618.13912	"C06910"	"Cisapride"	"C23H29ClFN3O4"	"465.1831"	"M+K+CF3COOH"	152.95602
"814852"	298.9556	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M"	0
"984372"	279.93721	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-H2O-H"	-19.01839
"78084"	198.296457333333	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M-3H"	-3.021828
"517162"	297.948324	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M-3H"	-3.021828
"893260"	98.6445906666667	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-3H"	-3.021828
"13901"	297.948324	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M-2H"	-2.014552
"455659"	447.426124	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M-2H"	-2.014552
"832484"	148.470524	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-2H"	-2.014552
"92840"	596.903924	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M-H"	-1.007276
"533493"	895.859524	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M-H"	-1.007276
"911331"	297.948324	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-H"	-1.007276
"54365"	613.930471	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M-2H+NH4"	16.019271
"497205"	912.886071	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M-2H+NH4"	16.019271
"875007"	314.974871	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-2H+NH4"	16.019271
"45828"	618.885866	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M-2H+Na"	20.974666
"486899"	917.841466	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M-2H+Na"	20.974666
"863310"	319.930266	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-2H+Na"	20.974666
"1630900"	319.930266	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Na-2H"	20.974666
"109374"	315.936663	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M-H+Cl"	33.962126
"541524"	465.414463	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M-H+Cl"	33.962126
"937226"	166.458863	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-H+Cl"	33.962126
"279434"	632.880602	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+Cl"	34.969402
"672220"	931.836202	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+Cl"	34.969402
"1283891"	333.925002	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Cl"	34.969402
"29366"	634.859806	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M-2H+K"	36.948606
"467108"	933.815406	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M-2H+K"	36.948606
"841627"	335.904206	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-2H+K"	36.948606
"1562927"	335.904206	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+K-2H"	36.948606
"957372"	343.953794	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-H+HCOOH"	44.998194
"374861"	642.909401	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+HCOOH-H"	44.998201
"360206"	656.925051	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+Hac-H"	59.013851
"1500649"	357.969451	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Hac-H"	59.013851
"973296"	365.935751	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-H+NaCOOH"	66.980151
"125361"	333.925002	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+2Cl"	69.938804
"559937"	483.402802	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+2Cl"	69.938804
"1029830"	184.447202	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2Cl"	69.938804
"1242359"	377.874485	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Br"	78.918885
"1306389"	379.930472	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Cl+HCOOH"	80.974872
"1322792"	401.912429	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Cl+NaCOOH"	102.956829
"912263"	411.941186	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M-H+CF3COOH"	112.985586
"1302595"	447.917864	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Cl+CF3COOH"	148.962264
"1381732"	263.942924	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H-2H2O"	-35.012676
"1397526"	281.9529	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H-H2O"	-17.0027
"297214"	598.918476	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+H"	1.007276
"690000"	897.874076	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+H"	1.007276
"1364523"	299.962876	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H"	1.007276
"137411"	299.962876	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+2H"	2.014552
"572604"	449.440676	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+2H"	2.014552
"1047963"	150.485076	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2H"	2.014552
"209664"	200.311009333333	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+3H"	3.021828
"649957"	299.962876	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+3H"	3.021828
"1174646"	100.659142666667	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+3H"	3.021828
"434640"	615.945023	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+NH4"	18.033823
"795633"	914.900623	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+NH4"	18.033823
"1694520"	316.989423	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+NH4"	18.033823
"341339"	308.4761495	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+H+NH4"	19.041099
"732666"	457.9539495	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+H+NH4"	19.041099
"1486486"	158.9983495	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H+NH4"	19.041099
"402976"	620.900418	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+Na"	22.989218
"762879"	919.856018	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+Na"	22.989218
"1617546"	321.944818	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Na"	22.989218
"329863"	310.953847	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+H+Na"	23.996494
"720734"	460.431647	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+H+Na"	23.996494
"1470546"	161.476047	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H+Na"	23.996494
"1064888"	107.986456666667	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2H+Na"	25.00377
"1267658"	331.989086	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+CH3OH+H"	33.033486
"384775"	636.874358	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+K"	38.963158
"745040"	935.829958	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+K"	38.963158
"1545997"	337.918758	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+K"	38.963158
"304265"	318.940817	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+H+K"	39.970434
"698870"	468.418617	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+H+K"	39.970434
"1449410"	169.463017	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H+K"	39.970434
"240202"	639.945026	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+ACN+H"	42.033826
"1220573"	340.989426	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+ACN+H"	42.033826
"1201173"	170.998351	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+ACN+2H"	43.041102
"200606"	642.88236	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+2Na-H"	44.97116
"639071"	941.83796	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+2Na-H"	44.97116
"1146351"	343.92676	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2Na-H"	44.97116
"185518"	321.944818	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+2Na"	45.978436
"624347"	471.422618	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+2Na"	45.978436
"1120200"	172.467018	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2Na"	45.978436
"1404817"	115.313770666667	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H+2Na"	46.985712
"1442400"	345.968346	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H+HCOOH"	47.012746
"231001"	326.97784	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+3H2O+2H"	56.04448
"1516875"	360.02039	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+IsoProp+H"	61.06479
"418748"	329.931788	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+Na+K"	61.952376
"777557"	479.409588	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+Na+K"	61.952376
"1680453"	180.453988	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Na+K"	61.952376
"264423"	661.926968	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+ACN+Na"	64.015768
"1240658"	362.971368	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+ACN+Na"	64.015768
"1725289"	362.994893	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+NH4+HCOOH"	64.039293
"1186269"	122.641084666667	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+3Na"	68.967654
"1659445"	367.950288	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Na+HCOOH"	68.994688
"168495"	674.83024	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+2K-H"	76.91904
"612313"	973.78584	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+2K-H"	76.91904
"1098766"	375.87464	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2K-H"	76.91904
"155821"	337.918758	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"2M+2K"	77.926316
"594408"	487.396558	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"3M+2K"	77.926316
"1077826"	188.440958	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2K"	77.926316
"1104473"	377.889192	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2K+H"	78.933592
"1338669"	377.976807	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+DMSO+H"	79.021207
"1019233"	382.015976	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2ACN+H"	83.060376
"1534078"	383.009608	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+IsoProp+Na+H"	84.054008
"1001623"	191.511626	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+2ACN+2H"	84.067652
"1595036"	383.924228	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+K+HCOOH"	84.968628
"1419601"	413.955738	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+H+CF3COOH"	115.000138
"1150252"	212.024901	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+3ACN+2H"	125.094202
"1710377"	430.982285	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+NH4+CF3COOH"	132.026685
"1647120"	435.93768	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+Na+CF3COOH"	136.98208
"1579490"	451.91162	"C06911"	"Cisplatin;cis-Diamminedichloroplatinum(II);PtCl2(NH3)2;CDDP"	"PtCl2(NH3)2"	"298.9556"	"M+K+CF3COOH"	152.95602
"809857"	747.4769	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M"	0
"984482"	728.45851	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-H2O-H"	-19.01839
"69446"	497.310657333333	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M-3H"	-3.021828
"517757"	746.469624	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M-3H"	-3.021828
"891183"	248.151690666667	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-3H"	-3.021828
"14132"	746.469624	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M-2H"	-2.014552
"455240"	1120.208074	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M-2H"	-2.014552
"832628"	372.731174	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-2H"	-2.014552
"93555"	1493.946524	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M-H"	-1.007276
"533605"	2241.423424	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M-H"	-1.007276
"911251"	746.469624	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-H"	-1.007276
"55568"	1510.973071	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M-2H+NH4"	16.019271
"500839"	2258.449971	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M-2H+NH4"	16.019271
"878763"	763.496171	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-2H+NH4"	16.019271
"44842"	1515.928466	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M-2H+Na"	20.974666
"486757"	2263.405366	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M-2H+Na"	20.974666
"860382"	768.451566	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-2H+Na"	20.974666
"1631739"	768.451566	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Na-2H"	20.974666
"105352"	764.457963	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M-H+Cl"	33.962126
"542727"	1138.196413	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M-H+Cl"	33.962126
"936242"	390.719513	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-H+Cl"	33.962126
"279177"	1529.923202	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+Cl"	34.969402
"674274"	2277.400102	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+Cl"	34.969402
"1284001"	782.446302	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Cl"	34.969402
"29839"	1531.902406	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M-2H+K"	36.948606
"467946"	2279.379306	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M-2H+K"	36.948606
"841733"	784.425506	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-2H+K"	36.948606
"1563036"	784.425506	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+K-2H"	36.948606
"954201"	792.475094	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-H+HCOOH"	44.998194
"376918"	1539.952001	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+HCOOH-H"	44.998201
"359581"	1553.967651	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+Hac-H"	59.013851
"1502945"	806.490751	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Hac-H"	59.013851
"973284"	814.457051	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-H+NaCOOH"	66.980151
"125149"	782.446302	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+2Cl"	69.938804
"558954"	1156.184752	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+2Cl"	69.938804
"1031033"	408.707852	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2Cl"	69.938804
"1248425"	826.395785	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Br"	78.918885
"1309779"	828.451772	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Cl+HCOOH"	80.974872
"1325453"	850.433729	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Cl+NaCOOH"	102.956829
"913594"	860.462486	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M-H+CF3COOH"	112.985586
"1301612"	896.439164	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Cl+CF3COOH"	148.962264
"1381357"	712.464224	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H-2H2O"	-35.012676
"1398002"	730.4742	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H-H2O"	-17.0027
"297325"	1495.961076	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+H"	1.007276
"689746"	2243.437976	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+H"	1.007276
"1365726"	748.484176	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H"	1.007276
"138614"	748.484176	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+2H"	2.014552
"570527"	1122.222626	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+2H"	2.014552
"1045887"	374.745726	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2H"	2.014552
"213786"	499.325209333333	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+3H"	3.021828
"653347"	748.484176	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+3H"	3.021828
"1173663"	250.166242666667	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+3H"	3.021828
"434750"	1512.987623	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+NH4"	18.033823
"799022"	2260.464523	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+NH4"	18.033823
"1696455"	765.510723	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+NH4"	18.033823
"343636"	756.9974495	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+H+NH4"	19.041099
"733869"	1130.7358995	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+H+NH4"	19.041099
"1487690"	383.2589995	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H+NH4"	19.041099
"404181"	1517.943018	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+Na"	22.989218
"765175"	2265.419918	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+Na"	22.989218
"1616926"	770.466118	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Na"	22.989218
"329821"	759.475147	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+H+Na"	23.996494
"722185"	1133.213597	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+H+Na"	23.996494
"1472843"	385.736697	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H+Na"	23.996494
"1064998"	257.493556666667	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2H+Na"	25.00377
"1268497"	780.510386	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+CH3OH+H"	33.033486
"388528"	1533.916958	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+K"	38.963158
"747336"	2281.393858	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+K"	38.963158
"1550481"	786.440058	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+K"	38.963158
"305469"	767.462117	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+H+K"	39.970434
"696796"	1141.200567	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+H+K"	39.970434
"1449520"	393.723667	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H+K"	39.970434
"240312"	1536.987626	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+ACN+H"	42.033826
"1220683"	789.510726	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+ACN+H"	42.033826
"1203470"	395.259001	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+ACN+2H"	43.041102
"202902"	1539.92496	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+2Na-H"	44.97116
"639181"	2287.40186	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+2Na-H"	44.97116
"1146943"	792.44806	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2Na-H"	44.97116
"186357"	770.466118	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+2Na"	45.978436
"624456"	1144.204568	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+2Na"	45.978436
"1121403"	396.727668	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2Na"	45.978436
"1403833"	264.820870666667	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H+2Na"	46.985712
"1441416"	794.489646	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H+HCOOH"	47.012746
"234029"	775.49914	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+3H2O+2H"	56.04448
"1518078"	808.54169	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+IsoProp+H"	61.06479
"418858"	778.453088	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+Na+K"	61.952376
"775480"	1152.191538	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+Na+K"	61.952376
"1678377"	404.714638	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Na+K"	61.952376
"263440"	1558.969568	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+ACN+Na"	64.015768
"1237608"	811.492668	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+ACN+Na"	64.015768
"1723213"	811.516193	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+NH4+HCOOH"	64.039293
"1192941"	272.148184666667	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+3Na"	68.967654
"1665147"	816.471588	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Na+HCOOH"	68.994688
"172132"	1571.87284	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+2K-H"	76.91904
"611572"	2319.34974	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+2K-H"	76.91904
"1099485"	824.39594	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2K-H"	76.91904
"154959"	786.440058	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"2M+2K"	77.926316
"594518"	1160.178508	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"3M+2K"	77.926316
"1077936"	412.701608	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2K"	77.926316
"1106770"	826.410492	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2K+H"	78.933592
"1338779"	826.498107	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+DMSO+H"	79.021207
"1019342"	830.537276	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2ACN+H"	83.060376
"1535281"	831.530908	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+IsoProp+Na+H"	84.054008
"1000640"	415.772276	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+2ACN+2H"	84.067652
"1595145"	832.445528	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+K+HCOOH"	84.968628
"1418616"	862.477038	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+H+CF3COOH"	115.000138
"1150361"	436.285551	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+3ACN+2H"	125.094202
"1707206"	879.503585	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+NH4+CF3COOH"	132.026685
"1647230"	884.45898	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+Na+CF3COOH"	136.98208
"1579600"	900.43292	"C06912"	"Clarithromycin"	"C38H69NO13"	"747.4769"	"M+K+CF3COOH"	152.95602
"809967"	343.1703	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M"	0
"981312"	324.15191	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-H2O-H"	-19.01839
"72836"	227.772924	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M-3H"	-3.021828
"516045"	342.163024	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M-3H"	-3.021828
"891293"	113.382824	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-3H"	-3.021828
"14242"	342.163024	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M-2H"	-2.014552
"455145"	513.748174	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M-2H"	-2.014552
"832652"	170.577874	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-2H"	-2.014552
"92693"	685.333324	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M-H"	-1.007276
"533954"	1028.503624	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M-H"	-1.007276
"911197"	342.163024	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-H"	-1.007276
"60052"	702.359871	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M-2H+NH4"	16.019271
"500584"	1045.530171	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M-2H+NH4"	16.019271
"878630"	359.189571	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-2H+NH4"	16.019271
"44588"	707.315266	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M-2H+Na"	20.974666
"482689"	1050.485566	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M-2H+Na"	20.974666
"859398"	364.144966	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-2H+Na"	20.974666
"1630026"	364.144966	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Na-2H"	20.974666
"103275"	360.151363	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M-H+Cl"	33.962126
"542837"	531.736513	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M-H+Cl"	33.962126
"933072"	188.566213	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-H+Cl"	33.962126
"277100"	721.310002	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+Cl"	34.969402
"670615"	1064.480302	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+Cl"	34.969402
"1284111"	378.139702	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Cl"	34.969402
"29949"	723.289206	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M-2H+K"	36.948606
"468784"	1066.459506	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M-2H+K"	36.948606
"841843"	380.118906	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-2H+K"	36.948606
"1559866"	380.118906	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+K-2H"	36.948606
"952124"	388.168494	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-H+HCOOH"	44.998194
"375083"	731.338801	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+HCOOH-H"	44.998201
"358599"	745.354451	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+Hac-H"	59.013851
"1503055"	402.184151	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Hac-H"	59.013851
"972422"	410.150451	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-H+NaCOOH"	66.980151
"123153"	378.139702	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+2Cl"	69.938804
"559064"	549.724852	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+2Cl"	69.938804
"1032237"	206.554552	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2Cl"	69.938804
"1248535"	422.089185	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Br"	78.918885
"1309889"	424.145172	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Cl+HCOOH"	80.974872
"1323012"	446.127129	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Cl+NaCOOH"	102.956829
"912609"	456.155886	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M-H+CF3COOH"	112.985586
"1300628"	492.132564	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Cl+CF3COOH"	148.962264
"1382239"	308.157624	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H-2H2O"	-35.012676
"1396287"	326.1676	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H-H2O"	-17.0027
"296705"	687.347876	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+H"	1.007276
"689493"	1030.518176	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+H"	1.007276
"1365473"	344.177576	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H"	1.007276
"137631"	344.177576	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+2H"	2.014552
"570637"	515.762726	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+2H"	2.014552
"1045997"	172.592426	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2H"	2.014552
"213896"	229.787476	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+3H"	3.021828
"654550"	344.177576	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+3H"	3.021828
"1174866"	115.397376	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+3H"	3.021828
"435953"	704.374423	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+NH4"	18.033823
"799132"	1047.544723	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+NH4"	18.033823
"1694378"	361.204123	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+NH4"	18.033823
"342654"	352.6908495	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+H+NH4"	19.041099
"733979"	524.2759995	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+H+NH4"	19.041099
"1488529"	181.1056995	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H+NH4"	19.041099
"405384"	709.329818	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+Na"	22.989218
"765285"	1052.500118	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+Na"	22.989218
"1615944"	366.159518	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Na"	22.989218
"329676"	355.168547	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+H+Na"	23.996494
"722704"	526.753697	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+H+Na"	23.996494
"1471860"	183.583397	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H+Na"	23.996494
"1066201"	122.72469	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2H+Na"	25.00377
"1268971"	376.203786	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+CH3OH+H"	33.033486
"385358"	725.303758	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+K"	38.963158
"746352"	1068.474058	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+K"	38.963158
"1551685"	382.133458	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+K"	38.963158
"305579"	363.155517	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+H+K"	39.970434
"695813"	534.740667	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+H+K"	39.970434
"1450723"	191.570367	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H+K"	39.970434
"239328"	728.374426	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+ACN+H"	42.033826
"1220793"	385.204126	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+ACN+H"	42.033826
"1201394"	193.105701	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+ACN+2H"	43.041102
"203012"	731.31176	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+2Na-H"	44.97116
"638198"	1074.48206	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+2Na-H"	44.97116
"1146406"	388.14146	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2Na-H"	44.97116
"187192"	366.159518	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+2Na"	45.978436
"623474"	537.744668	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+2Na"	45.978436
"1121513"	194.574368	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2Na"	45.978436
"1405037"	130.052004	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H+2Na"	46.985712
"1442620"	390.183046	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H+HCOOH"	47.012746
"234139"	371.19254	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+3H2O+2H"	56.04448
"1518188"	404.23509	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+IsoProp+H"	61.06479
"415688"	374.146488	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+Na+K"	61.952376
"775590"	545.731638	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+Na+K"	61.952376
"1679945"	202.561338	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Na+K"	61.952376
"266465"	750.356368	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+ACN+Na"	64.015768
"1239906"	407.186068	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+ACN+Na"	64.015768
"1727331"	407.209593	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+NH4+HCOOH"	64.039293
"1194033"	137.379318	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+3Na"	68.967654
"1665011"	412.164988	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Na+HCOOH"	68.994688
"172562"	763.25964	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+2K-H"	76.91904
"611682"	1106.42994	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+2K-H"	76.91904
"1098253"	420.08934	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2K-H"	76.91904
"156966"	382.133458	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"2M+2K"	77.926316
"595479"	553.718608	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"3M+2K"	77.926316
"1076953"	210.548308	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2K"	77.926316
"1104693"	422.103892	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2K+H"	78.933592
"1337796"	422.191507	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+DMSO+H"	79.021207
"1018359"	426.230676	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2ACN+H"	83.060376
"1537579"	427.224308	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+IsoProp+Na+H"	84.054008
"1000750"	213.618976	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+2ACN+2H"	84.067652
"1595255"	428.138928	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+K+HCOOH"	84.968628
"1417633"	458.170438	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+H+CF3COOH"	115.000138
"1150471"	234.132251	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+3ACN+2H"	125.094202
"1707316"	475.196985	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+NH4+CF3COOH"	132.026685
"1647340"	480.15238	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+Na+CF3COOH"	136.98208
"1579710"	496.12632	"C06913"	"Clemastine"	"C21H26ClNO"	"343.1703"	"M+K+CF3COOH"	152.95602
"810077"	424.1799	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M"	0
"981422"	405.16151	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-H2O-H"	-19.01839
"72946"	281.779324	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M-3H"	-3.021828
"515427"	423.172624	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M-3H"	-3.021828
"892497"	140.386024	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-3H"	-3.021828
"13990"	423.172624	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M-2H"	-2.014552
"454282"	635.262574	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M-2H"	-2.014552
"832207"	211.082674	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-2H"	-2.014552
"91710"	847.352524	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M-H"	-1.007276
"533458"	1271.532424	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M-H"	-1.007276
"910655"	423.172624	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-H"	-1.007276
"61258"	864.379071	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M-2H+NH4"	16.019271
"499480"	1288.558971	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M-2H+NH4"	16.019271
"877891"	440.199171	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-2H+NH4"	16.019271
"44818"	869.334466	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M-2H+Na"	20.974666
"481705"	1293.514366	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M-2H+Na"	20.974666
"857322"	445.154566	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-2H+Na"	20.974666
"1625762"	445.154566	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Na-2H"	20.974666
"101199"	441.160963	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M-H+Cl"	33.962126
"544041"	653.250913	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M-H+Cl"	33.962126
"932089"	229.071013	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-H+Cl"	33.962126
"271743"	883.329202	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+Cl"	34.969402
"667445"	1307.509102	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+Cl"	34.969402
"1286408"	459.149302	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Cl"	34.969402
"24592"	885.308406	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M-2H+K"	36.948606
"468527"	1309.488306	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M-2H+K"	36.948606
"839766"	461.128506	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-2H+K"	36.948606
"1556696"	461.128506	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+K-2H"	36.948606
"951141"	469.178094	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-H+HCOOH"	44.998194
"375558"	893.358001	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+HCOOH-H"	44.998201
"358708"	907.373651	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+Hac-H"	59.013851
"1502072"	483.193751	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Hac-H"	59.013851
"972531"	491.160051	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-H+NaCOOH"	66.980151
"123261"	459.149302	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+2Cl"	69.938804
"555894"	671.239252	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+2Cl"	69.938804
"1033440"	247.059352	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2Cl"	69.938804
"1248645"	503.098785	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Br"	78.918885
"1306719"	505.154772	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Cl+HCOOH"	80.974872
"1323122"	527.136729	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Cl+NaCOOH"	102.956829
"913082"	537.165486	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M-H+CF3COOH"	112.985586
"1298552"	573.142164	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Cl+CF3COOH"	148.962264
"1379993"	389.167224	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H-2H2O"	-35.012676
"1397126"	407.1772	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H-H2O"	-17.0027
"297179"	849.367076	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+H"	1.007276
"689603"	1273.546976	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+H"	1.007276
"1366977"	425.187176	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H"	1.007276
"137741"	425.187176	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+2H"	2.014552
"570745"	637.277126	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+2H"	2.014552
"1039546"	213.097226	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2H"	2.014552
"208539"	283.793876	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+3H"	3.021828
"651380"	425.187176	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+3H"	3.021828
"1168411"	142.400576	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+3H"	3.021828
"433871"	866.393623	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+NH4"	18.033823
"800335"	1290.573523	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+NH4"	18.033823
"1694487"	442.213723	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+NH4"	18.033823
"341671"	433.7004495	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+H+NH4"	19.041099
"732996"	645.7903995	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+H+NH4"	19.041099
"1490462"	221.6104995	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H+NH4"	19.041099
"405495"	871.349018	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+Na"	22.989218
"766488"	1295.528918	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+Na"	22.989218
"1616054"	447.169118	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Na"	22.989218
"329257"	436.178147	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+H+Na"	23.996494
"722405"	648.268097	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+H+Na"	23.996494
"1471970"	224.088197	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H+Na"	23.996494
"1065218"	149.72789	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2H+Na"	25.00377
"1267988"	457.213386	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+CH3OH+H"	33.033486
"385468"	887.322958	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+K"	38.963158
"747557"	1311.502858	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+K"	38.963158
"1552524"	463.143058	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+K"	38.963158
"306784"	444.165117	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+H+K"	39.970434
"703213"	656.255067	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+H+K"	39.970434
"1449740"	232.075167	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H+K"	39.970434
"239438"	890.393626	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+ACN+H"	42.033826
"1223091"	466.213726	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+ACN+H"	42.033826
"1201504"	233.610501	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+ACN+2H"	43.041102
"203127"	893.33096	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+2Na-H"	44.97116
"639037"	1317.51086	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+2Na-H"	44.97116
"1145827"	469.15106	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2Na-H"	44.97116
"185481"	447.169118	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+2Na"	45.978436
"621398"	659.259068	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+2Na"	45.978436
"1121623"	235.079168	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2Na"	45.978436
"1405147"	157.055204	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H+2Na"	46.985712
"1442730"	471.192646	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H+HCOOH"	47.012746
"234249"	452.20214	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+3H2O+2H"	56.04448
"1517934"	485.24469	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+IsoProp+H"	61.06479
"415798"	455.156088	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+Na+K"	61.952376
"775700"	667.246038	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+Na+K"	61.952376
"1675314"	243.066138	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Na+K"	61.952376
"265846"	912.375568	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+ACN+Na"	64.015768
"1241116"	488.195668	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+ACN+Na"	64.015768
"1722338"	488.219193	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+NH4+HCOOH"	64.039293
"1192065"	164.382518	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+3Na"	68.967654
"1664148"	493.174588	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Na+HCOOH"	68.994688
"172591"	925.27884	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+2K-H"	76.91904
"610574"	1349.45874	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+2K-H"	76.91904
"1099335"	501.09894	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2K-H"	76.91904
"155908"	463.143058	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"2M+2K"	77.926316
"585989"	675.233008	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"3M+2K"	77.926316
"1077063"	251.053108	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2K"	77.926316
"1102615"	503.113492	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2K+H"	78.933592
"1338999"	503.201107	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+DMSO+H"	79.021207
"1017376"	507.240276	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2ACN+H"	83.060376
"1537688"	508.233908	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+IsoProp+Na+H"	84.054008
"1001954"	254.123776	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+2ACN+2H"	84.067652
"1592085"	509.148528	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+K+HCOOH"	84.968628
"1418836"	539.180038	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+H+CF3COOH"	115.000138
"1150581"	274.637051	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+3ACN+2H"	125.094202
"1704146"	556.206585	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+NH4+CF3COOH"	132.026685
"1647450"	561.16198	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+Na+CF3COOH"	136.98208
"1579820"	577.13592	"C06914"	"Clindamycin"	"C18H33ClN2O5S"	"424.1799"	"M+K+CF3COOH"	152.95602
"810187"	472.1222	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M"	0
"980439"	453.10381	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-H2O-H"	-19.01839
"71963"	313.740857333333	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M-3H"	-3.021828
"517969"	471.114924	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M-3H"	-3.021828
"892973"	156.366790666667	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-3H"	-3.021828
"13371"	471.114924	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M-2H"	-2.014552
"453911"	707.176024	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M-2H"	-2.014552
"831833"	235.053824	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-2H"	-2.014552
"93649"	943.237124	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M-H"	-1.007276
"534185"	1415.359324	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M-H"	-1.007276
"911008"	471.114924	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-H"	-1.007276
"61125"	960.263671	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M-2H+NH4"	16.019271
"499590"	1432.385871	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M-2H+NH4"	16.019271
"877757"	488.141471	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-2H+NH4"	16.019271
"44806"	965.219066	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M-2H+Na"	20.974666
"484001"	1437.341266	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M-2H+Na"	20.974666
"857432"	493.096866	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-2H+Na"	20.974666
"1624779"	493.096866	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Na-2H"	20.974666
"103496"	489.103263	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M-H+Cl"	33.962126
"540871"	725.164363	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M-H+Cl"	33.962126
"931104"	253.042163	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-H+Cl"	33.962126
"277318"	979.213802	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+Cl"	34.969402
"667555"	1451.336002	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+Cl"	34.969402
"1286276"	507.091602	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Cl"	34.969402
"27981"	981.193006	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M-2H+K"	36.948606
"467542"	1453.315206	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M-2H+K"	36.948606
"843156"	509.070806	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-2H+K"	36.948606
"1560086"	509.070806	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+K-2H"	36.948606
"953438"	517.120394	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-H+HCOOH"	44.998194
"372747"	989.242601	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+HCOOH-H"	44.998201
"358819"	1003.258251	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+Hac-H"	59.013851
"1503275"	531.136051	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Hac-H"	59.013851
"971545"	539.102351	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-H+NaCOOH"	66.980151
"122641"	507.091602	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+2Cl"	69.938804
"554911"	743.152702	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+2Cl"	69.938804
"1030270"	271.030502	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2Cl"	69.938804
"1243288"	551.041085	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Br"	78.918885
"1307923"	553.097072	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Cl+HCOOH"	80.974872
"1321046"	575.079029	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Cl+NaCOOH"	102.956829
"913919"	585.107786	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M-H+CF3COOH"	112.985586
"1289897"	621.084464	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Cl+CF3COOH"	148.962264
"1378645"	437.109524	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H-2H2O"	-35.012676
"1395048"	455.1195	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H-H2O"	-17.0027
"291818"	945.251676	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+H"	1.007276
"686793"	1417.373876	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+H"	1.007276
"1358401"	473.129476	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H"	1.007276
"130196"	473.129476	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+2H"	2.014552
"569761"	709.190576	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+2H"	2.014552
"1040018"	237.068376	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2H"	2.014552
"209742"	315.755409333333	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+3H"	3.021828
"651490"	473.129476	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+3H"	3.021828
"1169614"	158.381342666667	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+3H"	3.021828
"433981"	962.278223	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+NH4"	18.033823
"800973"	1434.400423	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+NH4"	18.033823
"1695327"	490.156023	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+NH4"	18.033823
"343238"	481.6427495	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+H+NH4"	19.041099
"736385"	717.7038495	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+H+NH4"	19.041099
"1491663"	245.5816495	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H+NH4"	19.041099
"406699"	967.233618	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+Na"	22.989218
"762225"	1439.355818	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+Na"	22.989218
"1616528"	495.111418	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Na"	22.989218
"329733"	484.120447	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+H+Na"	23.996494
"721907"	720.181547	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+H+Na"	23.996494
"1475972"	248.059347	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H+Na"	23.996494
"1066418"	165.708656666667	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2H+Na"	25.00377
"1270286"	505.155686	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+CH3OH+H"	33.033486
"387766"	983.207558	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+K"	38.963158
"751679"	1455.329758	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+K"	38.963158
"1555072"	511.085358	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+K"	38.963158
"310177"	492.107417	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+H+K"	39.970434
"700407"	728.168517	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+H+K"	39.970434
"1450945"	256.046317	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H+K"	39.970434
"239548"	986.278226	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+ACN+H"	42.033826
"1224905"	514.156026	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+ACN+H"	42.033826
"1205623"	257.581651	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+ACN+2H"	43.041102
"203237"	989.21556	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+2Na-H"	44.97116
"638783"	1461.33776	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+2Na-H"	44.97116
"1145451"	517.09336	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2Na-H"	44.97116
"185229"	495.111418	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+2Na"	45.978436
"621508"	731.172518	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+2Na"	45.978436
"1123919"	259.050318	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2Na"	45.978436
"1406351"	173.035970666667	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H+2Na"	46.985712
"1438466"	519.134946	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H+HCOOH"	47.012746
"232902"	500.14444	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+3H2O+2H"	56.04448
"1518410"	533.18699	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+IsoProp+H"	61.06479
"412628"	503.098388	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+Na+K"	61.952376
"775810"	739.159488	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+Na+K"	61.952376
"1675060"	267.037288	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Na+K"	61.952376
"264860"	1008.260168	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+ACN+Na"	64.015768
"1241066"	536.137968	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+ACN+Na"	64.015768
"1726822"	536.161493	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+NH4+HCOOH"	64.039293
"1192906"	180.363284666667	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+3Na"	68.967654
"1664989"	541.116888	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Na+HCOOH"	68.994688
"172383"	1021.16344	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+2K-H"	76.91904
"609590"	1493.28564	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+2K-H"	76.91904
"1099654"	549.04124	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2K-H"	76.91904
"156139"	511.085358	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"2M+2K"	77.926316
"590473"	747.146458	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"3M+2K"	77.926316
"1074986"	275.024258	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2K"	77.926316
"1103090"	551.055792	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2K+H"	78.933592
"1336922"	551.143407	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+DMSO+H"	79.021207
"1019672"	555.182576	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2ACN+H"	83.060376
"1535611"	556.176208	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+IsoProp+Na+H"	84.054008
"1004008"	278.094926	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+2ACN+2H"	84.067652
"1598756"	557.090828	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+K+HCOOH"	84.968628
"1423320"	587.122338	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+H+CF3COOH"	115.000138
"1156887"	298.608201	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+3ACN+2H"	125.094202
"1710816"	604.148885	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+NH4+CF3COOH"	132.026685
"1647560"	609.10428	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+Na+CF3COOH"	136.98208
"1574461"	625.07822	"C06915"	"Clofazimine"	"C27H22Cl2N4"	"472.1222"	"M+K+CF3COOH"	152.95602
"816699"	242.071	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M"	0
"988208"	223.05261	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-H2O-H"	-19.01839
"76817"	160.373390666667	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M-3H"	-3.021828
"513823"	241.063724	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M-3H"	-3.021828
"894176"	79.6830573333333	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-3H"	-3.021828
"11291"	241.063724	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M-2H"	-2.014552
"454262"	362.099224	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M-2H"	-2.014552
"831096"	120.028224	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-2H"	-2.014552
"92903"	483.134724	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M-H"	-1.007276
"532952"	725.205724	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M-H"	-1.007276
"910278"	241.063724	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-H"	-1.007276
"62097"	500.161271	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M-2H+NH4"	16.019271
"502137"	742.232271	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M-2H+NH4"	16.019271
"879096"	258.090271	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-2H+NH4"	16.019271
"46590"	505.116666	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M-2H+Na"	20.974666
"485208"	747.187666	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M-2H+Na"	20.974666
"861552"	263.045666	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-2H+Na"	20.974666
"1633273"	263.045666	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Na-2H"	20.974666
"109241"	259.052063	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M-H+Cl"	33.962126
"545355"	380.087563	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M-H+Cl"	33.962126
"931216"	138.016563	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-H+Cl"	33.962126
"276335"	519.111402	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+Cl"	34.969402
"673983"	761.182402	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+Cl"	34.969402
"1284441"	277.040402	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Cl"	34.969402
"29185"	521.090606	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M-2H+K"	36.948606
"467652"	763.161606	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M-2H+K"	36.948606
"843268"	279.019606	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-2H+K"	36.948606
"1568224"	279.019606	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+K-2H"	36.948606
"956101"	287.069194	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-H+HCOOH"	44.998194
"372856"	529.140201	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+HCOOH-H"	44.998201
"360634"	543.155851	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+Hac-H"	59.013851
"1506666"	301.084851	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Hac-H"	59.013851
"973244"	309.051151	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-H+NaCOOH"	66.980151
"120929"	277.040402	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+2Cl"	69.938804
"561582"	398.075902	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+2Cl"	69.938804
"1026008"	156.004902	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2Cl"	69.938804
"1247774"	320.989885	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Br"	78.918885
"1308034"	323.045872	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Cl+HCOOH"	80.974872
"1320784"	345.027829	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Cl+NaCOOH"	102.956829
"913665"	355.056586	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M-H+CF3COOH"	112.985586
"1288996"	391.033264	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Cl+CF3COOH"	148.962264
"1380578"	207.058324	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H-2H2O"	-35.012676
"1397348"	225.0683	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H-H2O"	-17.0027
"296302"	485.149276	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+H"	1.007276
"689820"	727.220276	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+H"	1.007276
"1362886"	243.078276	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H"	1.007276
"134681"	243.078276	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+2H"	2.014552
"574249"	364.113776	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+2H"	2.014552
"1040131"	122.042776	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2H"	2.014552
"207667"	162.387942666667	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+3H"	3.021828
"651602"	243.078276	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+3H"	3.021828
"1177754"	81.6976093333333	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+3H"	3.021828
"438473"	502.175823	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+NH4"	18.033823
"800199"	744.246823	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+NH4"	18.033823
"1695800"	260.104823	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+NH4"	18.033823
"342980"	251.5915495	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+H+NH4"	19.041099
"737468"	372.6270495	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+H+NH4"	19.041099
"1492425"	130.5560495	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H+NH4"	19.041099
"407175"	507.131218	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+Na"	22.989218
"767801"	749.202218	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+Na"	22.989218
"1617003"	265.060218	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Na"	22.989218
"328385"	254.069247	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+H+Na"	23.996494
"722264"	375.104747	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+H+Na"	23.996494
"1470004"	133.033747	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H+Na"	23.996494
"1067500"	89.0249233333333	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2H+Na"	25.00377
"1266021"	275.104486	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+CH3OH+H"	33.033486
"387877"	523.105158	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+K"	38.963158
"751058"	765.176158	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+K"	38.963158
"1554205"	281.034158	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+K"	38.963158
"308098"	262.056217	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+H+K"	39.970434
"700518"	383.091717	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+H+K"	39.970434
"1451055"	141.020717	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H+K"	39.970434
"244030"	526.175826	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+ACN+H"	42.033826
"1211753"	284.104826	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+ACN+H"	42.033826
"1208285"	142.556051	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+ACN+2H"	43.041102
"202983"	529.11316	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+2Na-H"	44.97116
"641080"	771.18416	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+2Na-H"	44.97116
"1145318"	287.04216	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2Na-H"	44.97116
"186437"	265.060218	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+2Na"	45.978436
"620525"	386.095718	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+2Na"	45.978436
"1124029"	144.024718	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2Na"	45.978436
"1403178"	96.3522373333333	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H+2Na"	46.985712
"1438577"	289.083746	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H+HCOOH"	47.012746
"231556"	270.09324	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+3H2O+2H"	56.04448
"1520343"	303.13579	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+IsoProp+H"	61.06479
"417477"	273.047188	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+Na+K"	61.952376
"778108"	394.082688	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+Na+K"	61.952376
"1676263"	152.011688	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Na+K"	61.952376
"262783"	548.157768	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+ACN+Na"	64.015768
"1240722"	306.086768	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+ACN+Na"	64.015768
"1724747"	306.110293	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+NH4+HCOOH"	64.039293
"1189005"	103.679551333333	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+3Na"	68.967654
"1664496"	311.065688	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Na+HCOOH"	68.994688
"171838"	561.06104	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+2K-H"	76.91904
"608608"	803.13204	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+2K-H"	76.91904
"1099804"	318.99004	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2K-H"	76.91904
"155156"	281.034158	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"2M+2K"	77.926316
"589490"	402.069658	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"3M+2K"	77.926316
"1076188"	159.998658	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2K"	77.926316
"1100198"	321.004592	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2K+H"	78.933592
"1335890"	321.092207	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+DMSO+H"	79.021207
"1019782"	325.131376	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2ACN+H"	83.060376
"1533534"	326.125008	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+IsoProp+Na+H"	84.054008
"1001077"	163.069326	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+2ACN+2H"	84.067652
"1601050"	327.039628	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+K+HCOOH"	84.968628
"1428897"	357.071138	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+H+CF3COOH"	115.000138
"1159184"	183.582601	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+3ACN+2H"	125.094202
"1709833"	374.097685	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+NH4+CF3COOH"	132.026685
"1638922"	379.05308	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+Na+CF3COOH"	136.98208
"1580040"	395.02702	"C06916"	"Clofibrate"	"C12H15ClO3"	"242.071"	"M+K+CF3COOH"	152.95602
"812597"	405.1859	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M"	0
"988317"	386.16751	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-H2O-H"	-19.01839
"76926"	269.116657333333	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M-3H"	-3.021828
"513933"	404.178624	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M-3H"	-3.021828
"893921"	134.054690666667	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-3H"	-3.021828
"11401"	404.178624	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M-2H"	-2.014552
"454245"	606.771574	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M-2H"	-2.014552
"832049"	201.585674	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-2H"	-2.014552
"92041"	809.364524	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M-H"	-1.007276
"531602"	1214.550424	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M-H"	-1.007276
"911323"	404.178624	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-H"	-1.007276
"61955"	826.391071	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M-2H+NH4"	16.019271
"500784"	1231.576971	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M-2H+NH4"	16.019271
"879772"	421.205171	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-2H+NH4"	16.019271
"46941"	831.346466	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M-2H+Na"	20.974666
"485318"	1236.532366	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M-2H+Na"	20.974666
"860933"	426.160566	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-2H+Na"	20.974666
"1629374"	426.160566	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Na-2H"	20.974666
"105904"	422.166963	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M-H+Cl"	33.962126
"544371"	624.759913	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M-H+Cl"	33.962126
"931326"	219.574013	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-H+Cl"	33.962126
"274257"	845.341202	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+Cl"	34.969402
"671054"	1250.527102	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+Cl"	34.969402
"1284551"	440.155302	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Cl"	34.969402
"21640"	847.320406	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M-2H+K"	36.948606
"462294"	1252.506306	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M-2H+K"	36.948606
"843378"	442.134506	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-2H+K"	36.948606
"1570153"	442.134506	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+K-2H"	36.948606
"956575"	450.184094	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-H+HCOOH"	44.998194
"372966"	855.370001	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+HCOOH-H"	44.998201
"360985"	869.385651	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+Hac-H"	59.013851
"1505683"	464.199751	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Hac-H"	59.013851
"973228"	472.166051	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-H+NaCOOH"	66.980151
"118852"	440.155302	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+2Cl"	69.938804
"559505"	642.748252	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+2Cl"	69.938804
"1025025"	237.562352	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2Cl"	69.938804
"1245697"	484.104785	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Br"	78.918885
"1308144"	486.160772	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Cl+HCOOH"	80.974872
"1321259"	508.142729	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Cl+NaCOOH"	102.956829
"913411"	518.171486	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M-H+CF3COOH"	112.985586
"1289390"	554.148164	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Cl+CF3COOH"	148.962264
"1380324"	370.173224	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H-2H2O"	-35.012676
"1397095"	388.1832	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H-H2O"	-17.0027
"295319"	811.379076	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+H"	1.007276
"688473"	1216.564976	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+H"	1.007276
"1361902"	406.193176	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H"	1.007276
"135884"	406.193176	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+2H"	2.014552
"574359"	608.786126	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+2H"	2.014552
"1040604"	203.600226	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2H"	2.014552
"208140"	271.131209333333	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+3H"	3.021828
"648432"	406.193176	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+3H"	3.021828
"1177130"	136.069242666667	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+3H"	3.021828
"437857"	828.405623	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+NH4"	18.033823
"800432"	1233.591523	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+NH4"	18.033823
"1693351"	423.219723	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+NH4"	18.033823
"339810"	414.7064495	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+H+NH4"	19.041099
"736604"	617.2993995	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+H+NH4"	19.041099
"1491885"	212.1134995	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H+NH4"	19.041099
"407891"	833.361018	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+Na"	22.989218
"767911"	1238.546918	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+Na"	22.989218
"1616749"	428.175118	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Na"	22.989218
"328613"	417.184147	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+H+Na"	23.996494
"722371"	619.777097	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+H+Na"	23.996494
"1474488"	214.591197	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H+Na"	23.996494
"1066637"	143.396556666667	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2H+Na"	25.00377
"1267226"	438.219386	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+CH3OH+H"	33.033486
"391265"	849.334958	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+K"	38.963158
"751167"	1254.520858	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+K"	38.963158
"1554315"	444.149058	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+K"	38.963158
"311853"	425.171117	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+H+K"	39.970434
"700627"	627.764067	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+H+K"	39.970434
"1450072"	222.578167	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H+K"	39.970434
"239766"	852.405626	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+ACN+H"	42.033826
"1211620"	447.219726	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+ACN+H"	42.033826
"1208395"	224.113501	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+ACN+2H"	43.041102
"204024"	855.34296	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+2Na-H"	44.97116
"641919"	1260.52886	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+2Na-H"	44.97116
"1145426"	450.15706	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2Na-H"	44.97116
"187149"	428.175118	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+2Na"	45.978436
"620633"	630.768068	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+2Na"	45.978436
"1124139"	225.582168	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2Na"	45.978436
"1405478"	150.723870666667	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H+2Na"	46.985712
"1438686"	452.198646	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H+HCOOH"	47.012746
"232756"	433.20814	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+3H2O+2H"	56.04448
"1520088"	466.25069	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+IsoProp+H"	61.06479
"416127"	436.162088	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+Na+K"	61.952376
"776027"	638.755038	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+Na+K"	61.952376
"1674551"	233.569138	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Na+K"	61.952376
"260706"	874.387568	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+ACN+Na"	64.015768
"1237794"	469.201668	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+ACN+Na"	64.015768
"1725586"	469.225193	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+NH4+HCOOH"	64.039293
"1190574"	158.051184666667	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+3Na"	68.967654
"1664970"	474.180588	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Na+HCOOH"	68.994688
"172435"	887.29084	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+2K-H"	76.91904
"611633"	1292.47674	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+2K-H"	76.91904
"1099754"	482.10494	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2K-H"	76.91904
"155266"	444.149058	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"2M+2K"	77.926316
"589600"	646.742008	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"3M+2K"	77.926316
"1075205"	241.556108	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2K"	77.926316
"1100267"	484.119492	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2K+H"	78.933592
"1336288"	484.207107	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+DMSO+H"	79.021207
"1012238"	488.246276	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2ACN+H"	83.060376
"1532551"	489.239908	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+IsoProp+Na+H"	84.054008
"1000094"	244.626776	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+2ACN+2H"	84.067652
"1602253"	490.154528	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+K+HCOOH"	84.968628
"1429007"	520.186038	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+H+CF3COOH"	115.000138
"1159294"	265.140051	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+3ACN+2H"	125.094202
"1709943"	537.212585	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+NH4+CF3COOH"	132.026685
"1639032"	542.16798	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+Na+CF3COOH"	136.98208
"1580150"	558.14192	"C06917"	"Clomiphene"	"C26H28ClNO"	"405.1859"	"M+K+CF3COOH"	152.95602
"813800"	314.155	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M"	0
"988793"	295.13661	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-H2O-H"	-19.01839
"77399"	208.429390666667	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M-3H"	-3.021828
"515136"	313.147724	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M-3H"	-3.021828
"893667"	103.711057333333	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-3H"	-3.021828
"13334"	313.147724	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M-2H"	-2.014552
"454357"	470.225224	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M-2H"	-2.014552
"832733"	156.070224	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-2H"	-2.014552
"91058"	627.302724	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M-H"	-1.007276
"532563"	941.457724	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M-H"	-1.007276
"911332"	313.147724	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-H"	-1.007276
"62661"	644.329271	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M-2H+NH4"	16.019271
"502355"	958.484271	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M-2H+NH4"	16.019271
"879551"	330.174271	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-2H+NH4"	16.019271
"46974"	649.284666	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M-2H+Na"	20.974666
"485187"	963.439666	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M-2H+Na"	20.974666
"861773"	335.129666	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-2H+Na"	20.974666
"1632280"	335.129666	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Na-2H"	20.974666
"104918"	331.136063	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M-H+Cl"	33.962126
"537920"	488.213563	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M-H+Cl"	33.962126
"930341"	174.058563	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-H+Cl"	33.962126
"271087"	663.279402	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+Cl"	34.969402
"660507"	977.434402	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+Cl"	34.969402
"1281381"	349.124402	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Cl"	34.969402
"21750"	665.258606	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M-2H+K"	36.948606
"462404"	979.413606	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M-2H+K"	36.948606
"842395"	351.103606	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-2H+K"	36.948606
"1569171"	351.103606	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+K-2H"	36.948606
"957050"	359.153194	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-H+HCOOH"	44.998194
"372348"	673.308201	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+HCOOH-H"	44.998201
"361217"	687.323851	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+Hac-H"	59.013851
"1506522"	373.168851	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Hac-H"	59.013851
"972243"	381.135151	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-H+NaCOOH"	66.980151
"118962"	349.124402	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+2Cl"	69.938804
"556335"	506.201902	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+2Cl"	69.938804
"1025135"	192.046902	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2Cl"	69.938804
"1245807"	393.073885	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Br"	78.918885
"1308254"	395.129872	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Cl+HCOOH"	80.974872
"1320398"	417.111829	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Cl+NaCOOH"	102.956829
"912065"	427.140586	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M-H+CF3COOH"	112.985586
"1289174"	463.117264	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Cl+CF3COOH"	148.962264
"1380434"	279.142324	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H-2H2O"	-35.012676
"1397691"	297.1523	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H-H2O"	-17.0027
"295429"	629.317276	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+H"	1.007276
"688582"	943.472276	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+H"	1.007276
"1364568"	315.162276	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H"	1.007276
"137817"	315.162276	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+2H"	2.014552
"571188"	472.239776	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+2H"	2.014552
"1040351"	158.084776	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2H"	2.014552
"205576"	210.443942666667	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+3H"	3.021828
"651822"	315.162276	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+3H"	3.021828
"1177483"	105.725609333333	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+3H"	3.021828
"439302"	646.343823	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+NH4"	18.033823
"800055"	960.498823	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+NH4"	18.033823
"1692004"	332.188823	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+NH4"	18.033823
"338826"	323.6755495	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+H+NH4"	19.041099
"736473"	480.7530495	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+H+NH4"	19.041099
"1492116"	166.5980495	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H+NH4"	19.041099
"406663"	651.299218	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+Na"	22.989218
"762554"	965.454218	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+Na"	22.989218
"1616494"	337.144218	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Na"	22.989218
"327267"	326.153247	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+H+Na"	23.996494
"722483"	483.230747	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+H+Na"	23.996494
"1475694"	169.075747	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H+Na"	23.996494
"1064561"	113.052923333333	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2H+Na"	25.00377
"1270616"	347.188486	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+CH3OH+H"	33.033486
"390648"	667.273158	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+K"	38.963158
"749091"	981.428158	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+K"	38.963158
"1552969"	353.118158	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+K"	38.963158
"311234"	334.140217	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+H+K"	39.970434
"701831"	491.217717	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+H+K"	39.970434
"1450183"	177.062717	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H+K"	39.970434
"237689"	670.343826	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+ACN+H"	42.033826
"1211489"	356.188826	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+ACN+H"	42.033826
"1207412"	178.598051	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+ACN+2H"	43.041102
"203567"	673.28116	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+2Na-H"	44.97116
"641300"	987.43616	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+2Na-H"	44.97116
"1143714"	359.12616	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2Na-H"	44.97116
"187012"	337.144218	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+2Na"	45.978436
"622931"	494.221718	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+2Na"	45.978436
"1126072"	180.066718	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2Na"	45.978436
"1405588"	120.380237333333	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H+2Na"	46.985712
"1439889"	361.167746	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H+HCOOH"	47.012746
"233960"	342.17724	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+3H2O+2H"	56.04448
"1520198"	375.21979	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+IsoProp+H"	61.06479
"416237"	345.131188	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+Na+K"	61.952376
"777230"	502.208688	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+Na+K"	61.952376
"1673568"	188.053688	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Na+K"	61.952376
"260087"	692.325768	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+ACN+Na"	64.015768
"1238997"	378.170768	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+ACN+Na"	64.015768
"1724967"	378.194293	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+NH4+HCOOH"	64.039293
"1189591"	127.707551333333	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+3Na"	68.967654
"1665365"	383.149688	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Na+HCOOH"	68.994688
"171814"	705.22904	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+2K-H"	76.91904
"611014"	1019.38404	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+2K-H"	76.91904
"1099667"	391.07404	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2K-H"	76.91904
"156470"	353.118158	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"2M+2K"	77.926316
"595057"	510.195658	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"3M+2K"	77.926316
"1080784"	196.040658	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2K"	77.926316
"1108525"	393.088592	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2K+H"	78.933592
"1341626"	393.176207	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+DMSO+H"	79.021207
"1018909"	397.215376	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2ACN+H"	83.060376
"1533754"	398.209008	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+IsoProp+Na+H"	84.054008
"1002391"	199.111326	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+2ACN+2H"	84.067652
"1601149"	399.123628	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+K+HCOOH"	84.968628
"1428754"	429.155138	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+H+CF3COOH"	115.000138
"1159405"	219.624601	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+3ACN+2H"	125.094202
"1704585"	446.181685	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+NH4+CF3COOH"	132.026685
"1639142"	451.13708	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+Na+CF3COOH"	136.98208
"1574792"	467.11102	"C06918"	"Clomipramine"	"C19H23ClN2"	"314.155"	"M+K+CF3COOH"	152.95602
"813910"	314.0458	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M"	0
"987080"	295.02741	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-H2O-H"	-19.01839
"76780"	208.356590666667	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M-3H"	-3.021828
"516340"	313.038524	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M-3H"	-3.021828
"893047"	103.674657333333	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-3H"	-3.021828
"12715"	313.038524	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M-2H"	-2.014552
"455159"	470.061424	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M-2H"	-2.014552
"831828"	156.015624	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-2H"	-2.014552
"92992"	627.084324	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M-H"	-1.007276
"532429"	941.130124	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M-H"	-1.007276
"910965"	313.038524	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-H"	-1.007276
"62381"	644.110871	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M-2H+NH4"	16.019271
"501736"	958.156671	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M-2H+NH4"	16.019271
"879384"	330.065071	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-2H+NH4"	16.019271
"46834"	649.066266	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M-2H+Na"	20.974666
"485176"	963.112066	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M-2H+Na"	20.974666
"860425"	335.020466	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-2H+Na"	20.974666
"1632148"	335.020466	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Na-2H"	20.974666
"105758"	331.026863	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M-H+Cl"	33.962126
"538031"	488.049763	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M-H+Cl"	33.962126
"930451"	174.003963	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-H+Cl"	33.962126
"271197"	663.061002	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+Cl"	34.969402
"660012"	977.106802	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+Cl"	34.969402
"1281490"	349.015202	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Cl"	34.969402
"16225"	665.040206	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M-2H+K"	36.948606
"456113"	979.086006	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M-2H+K"	36.948606
"844692"	350.994406	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-2H+K"	36.948606
"1561619"	350.994406	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+K-2H"	36.948606
"956431"	359.043994	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-H+HCOOH"	44.998194
"372093"	673.089801	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+HCOOH-H"	44.998201
"354882"	687.105451	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+Hac-H"	59.013851
"1504445"	373.059651	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Hac-H"	59.013851
"970166"	381.025951	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-H+NaCOOH"	66.980151
"119072"	349.015202	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+2Cl"	69.938804
"553165"	506.038102	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+2Cl"	69.938804
"1022327"	191.992302	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2Cl"	69.938804
"1245917"	392.964685	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Br"	78.918885
"1309457"	395.020672	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Cl+HCOOH"	80.974872
"1320185"	417.002629	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Cl+NaCOOH"	102.956829
"911811"	427.031386	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M-H+CF3COOH"	112.985586
"1288883"	463.008064	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Cl+CF3COOH"	148.962264
"1375074"	279.033124	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H-2H2O"	-35.012676
"1394394"	297.0431	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H-H2O"	-17.0027
"295539"	629.098876	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+H"	1.007276
"689057"	943.144676	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+H"	1.007276
"1363949"	315.053076	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H"	1.007276
"136834"	315.053076	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+2H"	2.014552
"571298"	472.075976	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+2H"	2.014552
"1038272"	158.030176	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2H"	2.014552
"206171"	210.371142666667	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+3H"	3.021828
"651932"	315.053076	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+3H"	3.021828
"1175892"	105.689209333333	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+3H"	3.021828
"437707"	646.125423	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+NH4"	18.033823
"798338"	960.171223	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+NH4"	18.033823
"1695031"	332.079623	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+NH4"	18.033823
"342943"	323.5663495	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+H+NH4"	19.041099
"733543"	480.5892495	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+H+NH4"	19.041099
"1490647"	166.5434495	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H+NH4"	19.041099
"405679"	651.080818	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+Na"	22.989218
"759384"	965.126618	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+Na"	22.989218
"1616239"	337.035018	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Na"	22.989218
"326644"	326.044047	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+H+Na"	23.996494
"722227"	483.066947	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+H+Na"	23.996494
"1471429"	169.021147	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H+Na"	23.996494
"1062484"	113.016523333333	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2H+Na"	25.00377
"1268536"	347.079286	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+CH3OH+H"	33.033486
"388570"	667.054758	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+K"	38.963158
"749203"	981.100558	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+K"	38.963158
"1553080"	353.008958	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+K"	38.963158
"309888"	334.031017	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+H+K"	39.970434
"698661"	491.053917	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+H+K"	39.970434
"1447377"	177.008117	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H+K"	39.970434
"239985"	670.125426	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+ACN+H"	42.033826
"1212326"	356.079626	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+ACN+H"	42.033826
"1207765"	178.543451	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+ACN+2H"	43.041102
"203920"	673.06276	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+2Na-H"	44.97116
"641653"	987.10856	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+2Na-H"	44.97116
"1144917"	359.01696	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2Na-H"	44.97116
"186029"	337.035018	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+2Na"	45.978436
"624495"	494.057918	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+2Na"	45.978436
"1125451"	180.012118	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2Na"	45.978436
"1410430"	120.343837333333	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H+2Na"	46.985712
"1443645"	361.058546	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H+HCOOH"	47.012746
"234311"	342.06804	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+3H2O+2H"	56.04448
"1522861"	375.11059	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+IsoProp+H"	61.06479
"417441"	345.021988	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+Na+K"	61.952376
"774061"	502.044888	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+Na+K"	61.952376
"1675863"	187.999088	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Na+K"	61.952376
"260198"	692.107368	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+ACN+Na"	64.015768
"1234002"	378.061568	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+ACN+Na"	64.015768
"1724349"	378.085093	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+NH4+HCOOH"	64.039293
"1188242"	127.671151333333	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+3Na"	68.967654
"1665433"	383.040488	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Na+HCOOH"	68.994688
"171804"	705.01064	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+2K-H"	76.91904
"612709"	1019.05644	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+2K-H"	76.91904
"1099571"	390.96484	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2K-H"	76.91904
"156337"	353.008958	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"2M+2K"	77.926316
"594924"	510.031858	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"3M+2K"	77.926316
"1080894"	195.986058	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2K"	77.926316
"1109728"	392.979392	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2K+H"	78.933592
"1342829"	393.067007	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+DMSO+H"	79.021207
"1020602"	397.106176	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2ACN+H"	83.060376
"1537144"	398.099808	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+IsoProp+Na+H"	84.054008
"1000314"	199.056726	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+2ACN+2H"	84.067652
"1600286"	399.014428	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+K+HCOOH"	84.968628
"1429864"	429.045938	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+H+CF3COOH"	115.000138
"1158421"	219.570001	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+3ACN+2H"	125.094202
"1707975"	446.072485	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+NH4+CF3COOH"	132.026685
"1639252"	451.02788	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+Na+CF3COOH"	136.98208
"1574902"	467.00182	"C06921"	"Clorazepate;Clorazepic acid"	"C16H11ClN2O3"	"314.0458"	"M+K+CF3COOH"	152.95602
"811834"	344.108	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M"	0
"987554"	325.08961	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-H2O-H"	-19.01839
"76890"	228.398057333333	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M-3H"	-3.021828
"513169"	343.100724	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M-3H"	-3.021828
"893157"	113.695390666667	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-3H"	-3.021828
"11731"	343.100724	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M-2H"	-2.014552
"452755"	515.154724	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M-2H"	-2.014552
"830924"	171.046724	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-2H"	-2.014552
"91279"	687.208724	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M-H"	-1.007276
"531810"	1031.316724	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M-H"	-1.007276
"909369"	343.100724	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-H"	-1.007276
"61312"	704.235271	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M-2H+NH4"	16.019271
"499657"	1048.343271	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M-2H+NH4"	16.019271
"877460"	360.127271	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-2H+NH4"	16.019271
"45366"	709.190666	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M-2H+Na"	20.974666
"484557"	1053.298666	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M-2H+Na"	20.974666
"861992"	365.082666	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-2H+Na"	20.974666
"1630797"	365.082666	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Na-2H"	20.974666
"106230"	361.089063	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M-H+Cl"	33.962126
"537046"	533.143063	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M-H+Cl"	33.962126
"928373"	189.035063	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-H+Cl"	33.962126
"267653"	723.185402	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+Cl"	34.969402
"660116"	1067.293402	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+Cl"	34.969402
"1272913"	379.077402	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Cl"	34.969402
"16372"	725.164606	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M-2H+K"	36.948606
"456091"	1069.272606	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M-2H+K"	36.948606
"837147"	381.056606	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-2H+K"	36.948606
"1560634"	381.056606	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+K-2H"	36.948606
"956541"	389.106194	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-H+HCOOH"	44.998194
"371839"	733.214201	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+HCOOH-H"	44.998201
"356084"	747.229851	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+Hac-H"	59.013851
"1504555"	403.121851	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Hac-H"	59.013851
"973557"	411.088151	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-H+NaCOOH"	66.980151
"115902"	379.077402	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+2Cl"	69.938804
"553273"	551.131402	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+2Cl"	69.938804
"1023166"	207.023402	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2Cl"	69.938804
"1242744"	423.026885	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Br"	78.918885
"1306286"	425.082872	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Cl+HCOOH"	80.974872
"1319898"	447.064829	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Cl+NaCOOH"	102.956829
"911483"	457.093586	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M-H+CF3COOH"	112.985586
"1288523"	493.070264	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Cl+CF3COOH"	148.962264
"1374091"	309.095324	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H-2H2O"	-35.012676
"1391587"	327.1053	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H-H2O"	-17.0027
"290180"	689.223276	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+H"	1.007276
"690259"	1033.331276	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+H"	1.007276
"1362232"	345.115276	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H"	1.007276
"136214"	345.115276	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+2H"	2.014552
"571408"	517.169276	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+2H"	2.014552
"1038503"	173.061276	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2H"	2.014552
"206281"	230.412609333333	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+3H"	3.021828
"652042"	345.115276	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+3H"	3.021828
"1176366"	115.709942666667	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+3H"	3.021828
"437817"	706.249823	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+NH4"	18.033823
"798448"	1050.357823	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+NH4"	18.033823
"1695869"	362.141823	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+NH4"	18.033823
"343053"	353.6285495	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+H+NH4"	19.041099
"734746"	525.6825495	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+H+NH4"	19.041099
"1491122"	181.5745495	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H+NH4"	19.041099
"405789"	711.205218	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+Na"	22.989218
"759494"	1055.313218	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+Na"	22.989218
"1615985"	367.097218	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Na"	22.989218
"327484"	356.106247	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+H+Na"	23.996494
"721244"	528.160247	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+H+Na"	23.996494
"1471903"	184.052247	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H+Na"	23.996494
"1063687"	123.037256666667	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2H+Na"	25.00377
"1268646"	377.141486	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+CH3OH+H"	33.033486
"389775"	727.179158	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+K"	38.963158
"749678"	1071.287158	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+K"	38.963158
"1551001"	383.071158	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+K"	38.963158
"309269"	364.093217	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+H+K"	39.970434
"698771"	536.147217	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+H+K"	39.970434
"1449309"	192.039217	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H+K"	39.970434
"241188"	730.249826	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+ACN+H"	42.033826
"1212071"	386.141826	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+ACN+H"	42.033826
"1197056"	193.574551	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+ACN+2H"	43.041102
"193937"	733.18716	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+2Na-H"	44.97116
"641520"	1077.29516	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+2Na-H"	44.97116
"1141379"	389.07916	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2Na-H"	44.97116
"185405"	367.097218	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+2Na"	45.978436
"624239"	539.151218	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+2Na"	45.978436
"1125560"	195.043218	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2Na"	45.978436
"1408717"	130.364570666667	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H+2Na"	46.985712
"1441569"	391.120746	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H+HCOOH"	47.012746
"230896"	372.13024	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+3H2O+2H"	56.04448
"1520054"	405.17279	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+IsoProp+H"	61.06479
"415364"	375.084188	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+Na+K"	61.952376
"773077"	547.138188	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+Na+K"	61.952376
"1673786"	203.030188	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Na+K"	61.952376
"259215"	752.231768	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+ACN+Na"	64.015768
"1236664"	408.123768	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+ACN+Na"	64.015768
"1724457"	408.147293	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+NH4+HCOOH"	64.039293
"1188352"	137.691884666667	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+3Na"	68.967654
"1664568"	413.102688	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Na+HCOOH"	68.994688
"168387"	765.13504	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+2K-H"	76.91904
"612451"	1109.24304	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+2K-H"	76.91904
"1099273"	421.02704	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2K-H"	76.91904
"156449"	383.071158	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"2M+2K"	77.926316
"595398"	555.125158	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"3M+2K"	77.926316
"1081004"	211.017158	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2K"	77.926316
"1109838"	423.041592	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2K+H"	78.933592
"1339659"	423.129207	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+DMSO+H"	79.021207
"1019129"	427.168376	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2ACN+H"	83.060376
"1535067"	428.162008	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+IsoProp+Na+H"	84.054008
"994957"	214.087826	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+2ACN+2H"	84.067652
"1598209"	429.076628	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+K+HCOOH"	84.968628
"1429784"	459.108138	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+H+CF3COOH"	115.000138
"1160718"	234.601101	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+3ACN+2H"	125.094202
"1708085"	476.134685	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+NH4+CF3COOH"	132.026685
"1642641"	481.09008	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+Na+CF3COOH"	136.98208
"1573919"	497.06402	"C06922"	"Clotrimazole"	"C22H17ClN2"	"344.108"	"M+K+CF3COOH"	152.95602
"816278"	435.0656	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M"	0
"988758"	416.04721	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-H2O-H"	-19.01839
"78099"	289.036457333333	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M-3H"	-3.021828
"516561"	434.058324	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M-3H"	-3.021828
"893273"	144.014590666667	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-3H"	-3.021828
"15492"	434.058324	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M-2H"	-2.014552
"453598"	651.591124	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M-2H"	-2.014552
"831398"	216.525524	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-2H"	-2.014552
"90296"	869.123924	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M-H"	-1.007276
"532043"	1304.189524	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M-H"	-1.007276
"909116"	434.058324	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-H"	-1.007276
"60936"	886.150471	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M-2H+NH4"	16.019271
"502402"	1321.216071	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M-2H+NH4"	16.019271
"877933"	451.084871	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-2H+NH4"	16.019271
"46325"	891.105866	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M-2H+Na"	20.974666
"484301"	1326.171466	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M-2H+Na"	20.974666
"862104"	456.040266	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-2H+Na"	20.974666
"1632733"	456.040266	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Na-2H"	20.974666
"109259"	452.046663	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M-H+Cl"	33.962126
"537156"	669.579463	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M-H+Cl"	33.962126
"930305"	234.513863	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-H+Cl"	33.962126
"268865"	905.100602	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+Cl"	34.969402
"662008"	1340.166202	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+Cl"	34.969402
"1273930"	470.035002	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Cl"	34.969402
"16967"	907.079806	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M-2H+K"	36.948606
"456771"	1342.145406	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M-2H+K"	36.948606
"837257"	472.014206	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-2H+K"	36.948606
"1557828"	472.014206	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+K-2H"	36.948606
"957015"	480.063794	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-H+HCOOH"	44.998194
"371220"	915.129401	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+HCOOH-H"	44.998201
"356194"	929.145051	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+Hac-H"	59.013851
"1504665"	494.079451	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Hac-H"	59.013851
"972575"	502.045751	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-H+NaCOOH"	66.980151
"119292"	470.035002	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+2Cl"	69.938804
"554477"	687.567802	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+2Cl"	69.938804
"1024732"	252.502202	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2Cl"	69.938804
"1243583"	513.984485	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Br"	78.918885
"1307853"	516.040472	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Cl+HCOOH"	80.974872
"1321336"	538.022429	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Cl+NaCOOH"	102.956829
"911664"	548.051186	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M-H+CF3COOH"	112.985586
"1289102"	584.027864	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Cl+CF3COOH"	148.962264
"1382632"	400.052924	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H-2H2O"	-35.012676
"1394978"	418.0629	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H-H2O"	-17.0027
"290290"	871.138476	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+H"	1.007276
"688912"	1306.204076	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+H"	1.007276
"1359063"	436.072876	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H"	1.007276
"135231"	436.072876	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+2H"	2.014552
"572611"	653.605676	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+2H"	2.014552
"1038613"	218.540076	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2H"	2.014552
"206392"	291.051009333333	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+3H"	3.021828
"656893"	436.072876	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+3H"	3.021828
"1177332"	146.029142666667	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+3H"	3.021828
"436834"	888.165023	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+NH4"	18.033823
"798558"	1323.230623	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+NH4"	18.033823
"1695250"	453.099423	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+NH4"	18.033823
"340247"	444.5861495	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+H+NH4"	19.041099
"734492"	662.1189495	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+H+NH4"	19.041099
"1491959"	227.0533495	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H+NH4"	19.041099
"405899"	893.120418	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+Na"	22.989218
"760697"	1328.186018	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+Na"	22.989218
"1616459"	458.054818	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Na"	22.989218
"328321"	447.063847	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+H+Na"	23.996494
"721839"	664.596647	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+H+Na"	23.996494
"1474929"	229.531047	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H+Na"	23.996494
"1066473"	153.356456666667	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2H+Na"	25.00377
"1271794"	468.099086	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+CH3OH+H"	33.033486
"390611"	909.094358	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+K"	38.963158
"751610"	1344.159958	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+K"	38.963158
"1553298"	474.028758	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+K"	38.963158
"309741"	455.050817	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+H+K"	39.970434
"695600"	672.583617	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+H+K"	39.970434
"1450511"	237.518017	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H+K"	39.970434
"242392"	912.165026	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+ACN+H"	42.033826
"1211816"	477.099426	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+ACN+H"	42.033826
"1197897"	239.053351	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+ACN+2H"	43.041102
"192954"	915.10236	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+2Na-H"	44.97116
"641265"	1350.16796	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+2Na-H"	44.97116
"1140396"	480.03676	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2Na-H"	44.97116
"185515"	458.054818	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+2Na"	45.978436
"624349"	675.587618	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+2Na"	45.978436
"1126762"	240.522018	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2Na"	45.978436
"1408098"	160.683770666667	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H+2Na"	46.985712
"1442774"	482.078346	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H+HCOOH"	47.012746
"232830"	463.08784	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+3H2O+2H"	56.04448
"1513599"	496.13039	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+IsoProp+H"	61.06479
"417661"	466.041788	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+Na+K"	61.952376
"773188"	683.574588	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+Na+K"	61.952376
"1671710"	248.508988	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Na+K"	61.952376
"258232"	934.146968	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+ACN+Na"	64.015768
"1236409"	499.081368	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+ACN+Na"	64.015768
"1725295"	499.104893	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+NH4+HCOOH"	64.039293
"1188462"	168.011084666667	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+3Na"	68.967654
"1664801"	504.060288	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Na+HCOOH"	68.994688
"172391"	947.05024	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+2K-H"	76.91904
"610987"	1382.11584	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+2K-H"	76.91904
"1098536"	511.98464	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2K-H"	76.91904
"157013"	474.028758	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"2M+2K"	77.926316
"595508"	691.561558	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"3M+2K"	77.926316
"1081114"	256.495958	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2K"	77.926316
"1112134"	513.999192	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2K+H"	78.933592
"1339769"	514.086807	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+DMSO+H"	79.021207
"1019969"	518.125976	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2ACN+H"	83.060376
"1534085"	519.119608	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+IsoProp+Na+H"	84.054008
"995067"	259.566626	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+2ACN+2H"	84.067652
"1601966"	520.034228	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+K+HCOOH"	84.968628
"1427267"	550.065738	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+H+CF3COOH"	115.000138
"1157548"	280.079901	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+3ACN+2H"	125.094202
"1709290"	567.092285	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+NH4+CF3COOH"	132.026685
"1642752"	572.04768	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+Na+CF3COOH"	136.98208
"1574029"	588.02162	"C06923"	"Cloxacillin"	"C19H18ClN3O5S"	"435.0656"	"M+K+CF3COOH"	152.95602
"815335"	326.1298	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M"	0
"989323"	307.11141	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-H2O-H"	-19.01839
"78052"	216.412590666667	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M-3H"	-3.021828
"517643"	325.122524	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M-3H"	-3.021828
"894476"	107.702657333333	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-3H"	-3.021828
"14022"	325.122524	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M-2H"	-2.014552
"454559"	488.187424	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M-2H"	-2.014552
"831147"	162.057624	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-2H"	-2.014552
"90776"	651.252324	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M-H"	-1.007276
"531063"	977.382124	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M-H"	-1.007276
"908861"	325.122524	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-H"	-1.007276
"60684"	668.278871	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M-2H+NH4"	16.019271
"502193"	994.408671	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M-2H+NH4"	16.019271
"879587"	342.149071	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-2H+NH4"	16.019271
"46923"	673.234266	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M-2H+Na"	20.974666
"486724"	999.364066	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M-2H+Na"	20.974666
"862942"	347.104466	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-2H+Na"	20.974666
"1632840"	347.104466	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Na-2H"	20.974666
"105357"	343.110863	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M-H+Cl"	33.962126
"542731"	506.175763	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M-H+Cl"	33.962126
"934061"	180.045963	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-H+Cl"	33.962126
"268608"	687.229002	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+Cl"	34.969402
"662117"	1013.358802	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+Cl"	34.969402
"1275132"	361.099202	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Cl"	34.969402
"19629"	689.208206	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M-2H+K"	36.948606
"457732"	1015.338006	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M-2H+K"	36.948606
"838824"	363.078406	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-2H+K"	36.948606
"1558302"	363.078406	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+K-2H"	36.948606
"957733"	371.127994	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-H+HCOOH"	44.998194
"370236"	697.257801	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+HCOOH-H"	44.998201
"355211"	711.273451	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+Hac-H"	59.013851
"1504046"	385.143651	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Hac-H"	59.013851
"973783"	393.109951	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-H+NaCOOH"	66.980151
"123776"	361.099202	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+2Cl"	69.938804
"554587"	524.164102	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+2Cl"	69.938804
"1023387"	198.034302	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2Cl"	69.938804
"1245152"	405.048685	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Br"	78.918885
"1308694"	407.104672	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Cl+HCOOH"	80.974872
"1322904"	429.086629	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Cl+NaCOOH"	102.956829
"913966"	439.115386	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M-H+CF3COOH"	112.985586
"1291764"	475.092064	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Cl+CF3COOH"	148.962264
"1380510"	291.117124	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H-2H2O"	-35.012676
"1393994"	309.1271	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H-H2O"	-17.0027
"294774"	653.266876	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+H"	1.007276
"685010"	979.396676	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+H"	1.007276
"1359172"	327.137076	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H"	1.007276
"133154"	327.137076	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+2H"	2.014552
"567973"	490.201976	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+2H"	2.014552
"1038960"	164.072176	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2H"	2.014552
"206867"	218.427142666667	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+3H"	3.021828
"648982"	327.137076	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+3H"	3.021828
"1175494"	109.717209333333	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+3H"	3.021828
"435849"	670.293423	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+NH4"	18.033823
"794657"	996.423223	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+NH4"	18.033823
"1686612"	344.163623	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+NH4"	18.033823
"335984"	335.6503495	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+H+NH4"	19.041099
"730593"	498.7152495	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+H+NH4"	19.041099
"1482226"	172.5854495	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H+NH4"	19.041099
"397624"	675.248818	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+Na"	22.989218
"758620"	1001.378618	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+Na"	22.989218
"1613283"	349.119018	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Na"	22.989218
"328794"	338.128047	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+H+Na"	23.996494
"722434"	501.192947	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+H+Na"	23.996494
"1475039"	175.063147	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H+Na"	23.996494
"1068330"	117.044523333333	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2H+Na"	25.00377
"1271053"	359.163286	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+CH3OH+H"	33.033486
"389626"	691.222758	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+K"	38.963158
"752811"	1017.352558	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+K"	38.963158
"1555575"	365.092958	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+K"	38.963158
"312646"	346.115017	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+H+K"	39.970434
"696804"	509.179917	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+H+K"	39.970434
"1450623"	183.050117	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H+K"	39.970434
"240317"	694.293426	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+ACN+H"	42.033826
"1214844"	368.163626	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+ACN+H"	42.033826
"1200194"	184.585451	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+ACN+2H"	43.041102
"191971"	697.23076	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+2Na-H"	44.97116
"641375"	1023.36056	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+2Na-H"	44.97116
"1140506"	371.10096	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2Na-H"	44.97116
"184896"	349.119018	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+2Na"	45.978436
"624460"	512.183918	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+2Na"	45.978436
"1125780"	186.054118	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2Na"	45.978436
"1411488"	124.371837333333	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H+2Na"	46.985712
"1443247"	373.142546	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H+HCOOH"	47.012746
"231118"	354.15204	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+3H2O+2H"	56.04448
"1518082"	387.19459	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+IsoProp+H"	61.06479
"417771"	357.105988	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+Na+K"	61.952376
"778764"	520.170888	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+Na+K"	61.952376
"1669634"	194.041088	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Na+K"	61.952376
"258342"	716.275368	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+ACN+Na"	64.015768
"1235426"	390.145568	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+ACN+Na"	64.015768
"1724312"	390.169093	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+NH4+HCOOH"	64.039293
"1188572"	131.699151333333	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+3Na"	68.967654
"1664913"	395.124488	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Na+HCOOH"	68.994688
"172019"	729.17864	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+2K-H"	76.91904
"610975"	1055.30844	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+2K-H"	76.91904
"1098645"	403.04884	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2K-H"	76.91904
"156430"	365.092958	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"2M+2K"	77.926316
"596230"	528.157858	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"3M+2K"	77.926316
"1076850"	202.028058	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2K"	77.926316
"1105684"	405.063392	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2K+H"	78.933592
"1342070"	405.151007	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+DMSO+H"	79.021207
"1019715"	409.190176	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2ACN+H"	83.060376
"1534194"	410.183808	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+IsoProp+Na+H"	84.054008
"991529"	205.098726	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+2ACN+2H"	84.067652
"1602077"	411.098428	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+K+HCOOH"	84.968628
"1428468"	441.129938	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+H+CF3COOH"	115.000138
"1157658"	225.612001	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+3ACN+2H"	125.094202
"1709401"	458.156485	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+NH4+CF3COOH"	132.026685
"1648695"	463.11188	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+Na+CF3COOH"	136.98208
"1577419"	479.08582	"C06924"	"Clozapine"	"C18H19ClN4"	"326.1298"	"M+K+CF3COOH"	152.95602
"816181"	2931.5806	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M"	0
"989512"	2912.56221	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-H2O-H"	-19.01839
"73940"	1953.37979066667	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M-3H"	-3.021828
"518202"	2930.573324	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M-3H"	-3.021828
"895522"	976.186257333333	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-3H"	-3.021828
"14862"	2930.573324	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M-2H"	-2.014552
"453817"	4396.363624	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M-2H"	-2.014552
"830167"	1464.783024	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-2H"	-2.014552
"93310"	5862.153924	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M-H"	-1.007276
"533721"	8793.734524	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M-H"	-1.007276
"910551"	2930.573324	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-H"	-1.007276
"62016"	5879.180471	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M-2H+NH4"	16.019271
"502265"	8810.761071	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M-2H+NH4"	16.019271
"879131"	2947.599871	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-2H+NH4"	16.019271
"46788"	5884.135866	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M-2H+Na"	20.974666
"482702"	8815.716466	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M-2H+Na"	20.974666
"860503"	2952.555266	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-2H+Na"	20.974666
"1630034"	2952.555266	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Na-2H"	20.974666
"105472"	2948.561663	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M-H+Cl"	33.962126
"545033"	4414.351963	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M-H+Cl"	33.962126
"937456"	1482.771363	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-H+Cl"	33.962126
"274918"	5898.130602	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+Cl"	34.969402
"662236"	8829.711202	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+Cl"	34.969402
"1276463"	2966.550002	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Cl"	34.969402
"16951"	5900.109806	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M-2H+K"	36.948606
"469885"	8831.690406	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M-2H+K"	36.948606
"841853"	2968.529206	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-2H+K"	36.948606
"1570576"	2968.529206	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+K-2H"	36.948606
"957523"	2976.578794	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-H+HCOOH"	44.998194
"373994"	5908.159401	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+HCOOH-H"	44.998201
"360679"	5922.175051	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+Hac-H"	59.013851
"1506353"	2990.594451	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Hac-H"	59.013851
"973044"	2998.560751	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-H+NaCOOH"	66.980151
"123888"	2966.550002	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+2Cl"	69.938804
"557979"	4432.340302	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+2Cl"	69.938804
"1026049"	1500.759702	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2Cl"	69.938804
"1244169"	3010.499485	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Br"	78.918885
"1307712"	3012.555472	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Cl+HCOOH"	80.974872
"1325206"	3034.537429	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Cl+NaCOOH"	102.956829
"915173"	3044.566186	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M-H+CF3COOH"	112.985586
"1303920"	3080.542864	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Cl+CF3COOH"	148.962264
"1382625"	2896.567924	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H-2H2O"	-35.012676
"1397999"	2914.5779	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H-H2O"	-17.0027
"297806"	5864.168476	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+H"	1.007276
"688404"	8795.749076	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+H"	1.007276
"1360376"	2932.587876	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H"	1.007276
"134359"	2932.587876	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+2H"	2.014552
"577932"	4398.378176	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+2H"	2.014552
"1047097"	1466.797576	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2H"	2.014552
"213905"	1955.39434266667	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+3H"	3.021828
"656382"	2932.587876	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+3H"	3.021828
"1177427"	978.200809333333	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+3H"	3.021828
"436325"	5881.195023	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+NH4"	18.033823
"796587"	8812.775623	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+NH4"	18.033823
"1694379"	2949.614423	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+NH4"	18.033823
"344480"	2941.1011495	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+H+NH4"	19.041099
"736535"	4406.8914495	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+H+NH4"	19.041099
"1489627"	1475.3108495	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H+NH4"	19.041099
"406485"	5886.150418	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+Na"	22.989218
"763105"	8817.731018	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+Na"	22.989218
"1615595"	2954.569818	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Na"	22.989218
"326363"	2943.578847	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+H+Na"	23.996494
"718049"	4409.369147	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+H+Na"	23.996494
"1476920"	1477.788547	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H+Na"	23.996494
"1067302"	985.528123333333	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2H+Na"	25.00377
"1271938"	2964.614086	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+CH3OH+H"	33.033486
"391564"	5902.124358	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+K"	38.963158
"753653"	8833.704958	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+K"	38.963158
"1553879"	2970.543758	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+K"	38.963158
"312150"	2951.565817	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+H+K"	39.970434
"698008"	4417.356117	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+H+K"	39.970434
"1450733"	1485.775517	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H+K"	39.970434
"241525"	5905.195026	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+ACN+H"	42.033826
"1224566"	2973.614426	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+ACN+H"	42.033826
"1207597"	1487.310851	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+ACN+2H"	43.041102
"203999"	5908.13236	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+2Na-H"	44.97116
"642585"	8839.71296	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+2Na-H"	44.97116
"1146587"	2976.55176	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2Na-H"	44.97116
"187451"	2954.569818	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+2Na"	45.978436
"627127"	4420.360118	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+2Na"	45.978436
"1130268"	1488.779518	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2Na"	45.978436
"1410148"	992.855437333333	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H+2Na"	46.985712
"1443722"	2978.593346	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H+HCOOH"	47.012746
"232324"	2959.60284	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+3H2O+2H"	56.04448
"1517106"	2992.64539	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+IsoProp+H"	61.06479
"416789"	2962.556788	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+Na+K"	61.952376
"774506"	4428.347088	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+Na+K"	61.952376
"1676307"	1496.766488	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Na+K"	61.952376
"265749"	5927.176968	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+ACN+Na"	64.015768
"1240643"	2995.596368	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+ACN+Na"	64.015768
"1727951"	2995.619893	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+NH4+HCOOH"	64.039293
"1193552"	1000.18275133333	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+3Na"	68.967654
"1664419"	3000.575288	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Na+HCOOH"	68.994688
"171039"	5940.08024	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+2K-H"	76.91904
"611085"	8871.66084	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+2K-H"	76.91904
"1097905"	3008.49964	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2K-H"	76.91904
"156299"	2970.543758	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"2M+2K"	77.926316
"596348"	4436.334058	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"3M+2K"	77.926316
"1083647"	1504.753458	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2K"	77.926316
"1105795"	3010.514192	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2K+H"	78.933592
"1350569"	3010.601807	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+DMSO+H"	79.021207
"1018369"	3014.640976	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2ACN+H"	83.060376
"1535401"	3015.634608	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+IsoProp+Na+H"	84.054008
"1004649"	1507.824126	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+2ACN+2H"	84.067652
"1596356"	3016.549228	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+K+HCOOH"	84.968628
"1428578"	3046.580738	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+H+CF3COOH"	115.000138
"1152306"	1528.337401	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+3ACN+2H"	125.094202
"1710603"	3063.607285	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+NH4+CF3COOH"	132.026685
"1642972"	3068.56268	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+Na+CF3COOH"	136.98208
"1574249"	3084.53662	"C06926"	"Cosyntropin"	"C136H210N40O31S"	"2931.5806"	"M+K+CF3COOH"	152.95602
"817004"	468.0693	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M"	0
"989857"	449.05091	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-H2O-H"	-19.01839
"78490"	311.038924	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M-3H"	-3.021828
"517622"	467.062024	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M-3H"	-3.021828
"893601"	155.015824	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-3H"	-3.021828
"15093"	467.062024	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M-2H"	-2.014552
"454301"	701.096674	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M-2H"	-2.014552
"830643"	233.027374	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-2H"	-2.014552
"92820"	935.131324	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M-H"	-1.007276
"532987"	1403.200624	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M-H"	-1.007276
"910175"	467.062024	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-H"	-1.007276
"61642"	952.157871	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M-2H+NH4"	16.019271
"502701"	1420.227171	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M-2H+NH4"	16.019271
"878997"	484.088571	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-2H+NH4"	16.019271
"46290"	957.113266	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M-2H+Na"	20.974666
"483905"	1425.182566	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M-2H+Na"	20.974666
"861705"	489.043966	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-2H+Na"	20.974666
"1629780"	489.043966	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Na-2H"	20.974666
"102300"	485.050363	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M-H+Cl"	33.962126
"545143"	719.085013	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M-H+Cl"	33.962126
"934286"	251.015713	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-H+Cl"	33.962126
"275028"	971.108002	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+Cl"	34.969402
"665263"	1439.177302	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+Cl"	34.969402
"1273290"	503.038702	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Cl"	34.969402
"16083"	973.087206	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M-2H+K"	36.948606
"468902"	1441.156506	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M-2H+K"	36.948606
"841963"	505.017906	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-2H+K"	36.948606
"1570684"	505.017906	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+K-2H"	36.948606
"957349"	513.067494	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-H+HCOOH"	44.998194
"374468"	981.136801	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+HCOOH-H"	44.998201
"361080"	995.152451	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+Hac-H"	59.013851
"1505362"	527.083151	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Hac-H"	59.013851
"972910"	535.049451	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-H+NaCOOH"	66.980151
"123998"	503.038702	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+2Cl"	69.938804
"555902"	737.073352	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+2Cl"	69.938804
"1025795"	269.004052	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2Cl"	69.938804
"1243914"	546.988185	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Br"	78.918885
"1310009"	549.044172	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Cl+HCOOH"	80.974872
"1324222"	571.026129	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Cl+NaCOOH"	102.956829
"915283"	581.054886	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M-H+CF3COOH"	112.985586
"1301841"	617.031564	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Cl+CF3COOH"	148.962264
"1382479"	433.056624	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H-2H2O"	-35.012676
"1397500"	451.0666	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H-H2O"	-17.0027
"297186"	937.145876	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+H"	1.007276
"688878"	1405.215176	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+H"	1.007276
"1361579"	469.076576	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H"	1.007276
"138115"	469.076576	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+2H"	2.014552
"578042"	703.111226	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+2H"	2.014552
"1046843"	235.041926	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2H"	2.014552
"218755"	313.053476	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+3H"	3.021828
"659411"	469.076576	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+3H"	3.021828
"1177536"	157.030376	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+3H"	3.021828
"436799"	954.172423	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+NH4"	18.033823
"795968"	1422.241723	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+NH4"	18.033823
"1691935"	486.103123	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+NH4"	18.033823
"339485"	477.5898495	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+H+NH4"	19.041099
"734458"	711.6244995	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+H+NH4"	19.041099
"1489737"	243.5551995	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H+NH4"	19.041099
"405502"	959.127818	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+Na"	22.989218
"761030"	1427.197118	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+Na"	22.989218
"1618018"	491.058518	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Na"	22.989218
"329557"	480.067547	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+H+Na"	23.996494
"719985"	714.102197	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+H+Na"	23.996494
"1476645"	246.032897	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H+Na"	23.996494
"1068227"	164.35769	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2H+Na"	25.00377
"1271276"	501.102786	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+CH3OH+H"	33.033486
"392655"	975.101758	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+K"	38.963158
"754083"	1443.171058	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+K"	38.963158
"1555337"	507.032458	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+K"	38.963158
"311896"	488.054517	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+H+K"	39.970434
"698119"	722.089167	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+H+K"	39.970434
"1451937"	254.019867	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H+K"	39.970434
"241635"	978.172426	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+ACN+H"	42.033826
"1224918"	510.103126	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+ACN+H"	42.033826
"1207707"	255.555201	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+ACN+2H"	43.041102
"197661"	981.10976	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+2Na-H"	44.97116
"642937"	1449.17906	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+2Na-H"	44.97116
"1146579"	513.04046	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2Na-H"	44.97116
"188485"	491.058518	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+2Na"	45.978436
"628090"	725.093168	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+2Na"	45.978436
"1131075"	257.023868	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2Na"	45.978436
"1412444"	171.685004	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H+2Na"	46.985712
"1444200"	515.082046	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H+HCOOH"	47.012746
"234619"	496.09154	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+3H2O+2H"	56.04448
"1518308"	529.13409	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+IsoProp+H"	61.06479
"423097"	499.045488	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+Na+K"	61.952376
"773524"	733.080138	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+Na+K"	61.952376
"1676418"	265.010838	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Na+K"	61.952376
"266467"	1000.154368	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+ACN+Na"	64.015768
"1240390"	532.085068	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+ACN+Na"	64.015768
"1727087"	532.108593	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+NH4+HCOOH"	64.039293
"1192450"	179.012318	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+3Na"	68.967654
"1663437"	537.063988	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Na+HCOOH"	68.994688
"171513"	1013.05764	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+2K-H"	76.91904
"612045"	1481.12694	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+2K-H"	76.91904
"1098014"	544.98834	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2K-H"	76.91904
"157008"	507.032458	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"2M+2K"	77.926316
"596947"	741.067108	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"3M+2K"	77.926316
"1084004"	272.997808	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2K"	77.926316
"1109185"	547.002892	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2K+H"	78.933592
"1349828"	547.090507	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+DMSO+H"	79.021207
"1021157"	551.129676	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2ACN+H"	83.060376
"1539162"	552.123308	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+IsoProp+Na+H"	84.054008
"1003789"	276.068476	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+2ACN+2H"	84.067652
"1601207"	553.037928	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+K+HCOOH"	84.968628
"1429053"	583.069438	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+H+CF3COOH"	115.000138
"1154603"	296.581751	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+3ACN+2H"	125.094202
"1708527"	600.095985	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+NH4+CF3COOH"	132.026685
"1646363"	605.05138	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+Na+CF3COOH"	136.98208
"1575453"	621.02532	"C06928"	"Cromolyn;Cromoglicic acid"	"C23H16O11"	"468.0693"	"M+K+CF3COOH"	152.95602
"814936"	266.1783	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M"	0
"987741"	247.15991	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-H2O-H"	-19.01839
"75254"	176.444924	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M-3H"	-3.021828
"517490"	265.171024	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M-3H"	-3.021828
"892981"	87.718824	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-3H"	-3.021828
"13013"	265.171024	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M-2H"	-2.014552
"454774"	398.260174	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M-2H"	-2.014552
"831716"	132.081874	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-2H"	-2.014552
"93295"	531.349324	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M-H"	-1.007276
"532371"	797.527624	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M-H"	-1.007276
"910290"	265.171024	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-H"	-1.007276
"60043"	548.375871	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M-2H+NH4"	16.019271
"501789"	814.554171	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M-2H+NH4"	16.019271
"879350"	282.197571	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-2H+NH4"	16.019271
"46765"	553.331266	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M-2H+Na"	20.974666
"486570"	819.509566	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M-2H+Na"	20.974666
"859628"	287.152966	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-2H+Na"	20.974666
"1629159"	287.152966	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Na-2H"	20.974666
"102410"	283.159363	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M-H+Cl"	33.962126
"541968"	416.248513	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M-H+Cl"	33.962126
"937675"	150.070213	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-H+Cl"	33.962126
"278418"	567.326002	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+Cl"	34.969402
"667561"	833.504302	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+Cl"	34.969402
"1273154"	301.147702	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Cl"	34.969402
"15829"	569.305206	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M-2H+K"	36.948606
"470105"	835.483506	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M-2H+K"	36.948606
"840979"	303.126906	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-2H+K"	36.948606
"1568849"	303.126906	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+K-2H"	36.948606
"956366"	311.176494	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-H+HCOOH"	44.998194
"374943"	577.354801	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+HCOOH-H"	44.998201
"359561"	591.370451	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+Hac-H"	59.013851
"1505472"	325.192151	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Hac-H"	59.013851
"969731"	333.158451	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-H+NaCOOH"	66.980151
"124475"	301.147702	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+2Cl"	69.938804
"557106"	434.236852	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+2Cl"	69.938804
"1025905"	168.058552	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2Cl"	69.938804
"1245117"	345.097185	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Br"	78.918885
"1305745"	347.153172	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Cl+HCOOH"	80.974872
"1322146"	369.135129	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Cl+NaCOOH"	102.956829
"913571"	379.163886	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M-H+CF3COOH"	112.985586
"1303820"	415.140564	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Cl+CF3COOH"	148.962264
"1381572"	231.165624	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H-2H2O"	-35.012676
"1395786"	249.1756	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H-H2O"	-17.0027
"293649"	533.363876	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+H"	1.007276
"688987"	799.542176	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+H"	1.007276
"1361689"	267.185576	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H"	1.007276
"135673"	267.185576	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+2H"	2.014552
"574141"	400.274726	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+2H"	2.014552
"1044037"	134.096426	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2H"	2.014552
"214125"	178.459476	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+3H"	3.021828
"655146"	267.185576	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+3H"	3.021828
"1172906"	89.733376	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+3H"	3.021828
"435086"	550.390423	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+NH4"	18.033823
"792796"	816.568723	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+NH4"	18.033823
"1691314"	284.212123	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+NH4"	18.033823
"340687"	275.6988495	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+H+NH4"	19.041099
"735296"	408.7879995	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+H+NH4"	19.041099
"1486931"	142.6096995	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H+NH4"	19.041099
"403425"	555.345818	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+Na"	22.989218
"761139"	821.524118	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+Na"	22.989218
"1618291"	289.167518	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Na"	22.989218
"329747"	278.176547	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+H+Na"	23.996494
"722658"	411.265697	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+H+Na"	23.996494
"1476796"	145.087397	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H+Na"	23.996494
"1068136"	97.06069	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2H+Na"	25.00377
"1271996"	299.211786	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+CH3OH+H"	33.033486
"392276"	571.319758	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+K"	38.963158
"752658"	837.498058	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+K"	38.963158
"1554711"	305.141458	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+K"	38.963158
"312613"	286.163517	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+H+K"	39.970434
"700415"	419.252667	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+H+K"	39.970434
"1451317"	153.074367	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H+K"	39.970434
"242838"	574.390426	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+ACN+H"	42.033826
"1223935"	308.212126	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+ACN+H"	42.033826
"1208425"	154.609701	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+ACN+2H"	43.041102
"197771"	577.32776	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+2Na-H"	44.97116
"641346"	843.50606	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+2Na-H"	44.97116
"1145961"	311.14946	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2Na-H"	44.97116
"188510"	289.167518	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+2Na"	45.978436
"628517"	422.256668	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+2Na"	45.978436
"1131296"	156.078368	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2Na"	45.978436
"1413168"	104.388004	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H+2Na"	46.985712
"1445409"	313.191046	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H+HCOOH"	47.012746
"235419"	294.20054	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+3H2O+2H"	56.04448
"1522794"	327.24309	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+IsoProp+H"	61.06479
"423902"	297.154488	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+Na+K"	61.952376
"776184"	430.243638	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+Na+K"	61.952376
"1674339"	164.065338	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Na+K"	61.952376
"267045"	596.372368	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+ACN+Na"	64.015768
"1241323"	330.194068	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+ACN+Na"	64.015768
"1728397"	330.217593	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+NH4+HCOOH"	64.039293
"1193859"	111.715318	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+3Na"	68.967654
"1665126"	335.172988	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Na+HCOOH"	68.994688
"171746"	609.27564	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+2K-H"	76.91904
"612693"	875.45394	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+2K-H"	76.91904
"1099831"	343.09734	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2K-H"	76.91904
"157103"	305.141458	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"2M+2K"	77.926316
"595952"	438.230608	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"3M+2K"	77.926316
"1083015"	172.052308	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2K"	77.926316
"1106015"	345.111892	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2K+H"	78.933592
"1349938"	345.199507	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+DMSO+H"	79.021207
"1019683"	349.238676	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2ACN+H"	83.060376
"1539512"	350.232308	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+IsoProp+Na+H"	84.054008
"1003900"	175.122976	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+2ACN+2H"	84.067652
"1598767"	351.146928	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+K+HCOOH"	84.968628
"1429162"	381.178438	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+H+CF3COOH"	115.000138
"1157993"	195.636251	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+3ACN+2H"	125.094202
"1711555"	398.204985	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+NH4+CF3COOH"	132.026685
"1646473"	403.16038	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+Na+CF3COOH"	136.98208
"1575563"	419.13432	"C06930"	"Cyclizine"	"C18H22N2"	"266.1783"	"M+K+CF3COOH"	152.95602
"813589"	275.1674	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M"	0
"987851"	256.14901	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-H2O-H"	-19.01839
"70989"	182.437657333333	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M-3H"	-3.021828
"512736"	274.160124	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M-3H"	-3.021828
"894308"	90.7151906666667	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-3H"	-3.021828
"13123"	274.160124	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M-2H"	-2.014552
"451967"	411.743824	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M-2H"	-2.014552
"830617"	136.576424	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-2H"	-2.014552
"90125"	549.327524	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M-H"	-1.007276
"529686"	824.494924	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M-H"	-1.007276
"907120"	274.160124	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-H"	-1.007276
"59307"	566.354071	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M-2H+NH4"	16.019271
"500687"	841.521471	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M-2H+NH4"	16.019271
"877881"	291.186671	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-2H+NH4"	16.019271
"44568"	571.309466	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M-2H+Na"	20.974666
"484126"	846.476866	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M-2H+Na"	20.974666
"859740"	296.142066	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-2H+Na"	20.974666
"1631458"	296.142066	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Na-2H"	20.974666
"102519"	292.148463	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M-H+Cl"	33.962126
"538799"	429.732163	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M-H+Cl"	33.962126
"932316"	154.564763	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-H+Cl"	33.962126
"275248"	585.304202	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+Cl"	34.969402
"667671"	860.471602	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+Cl"	34.969402
"1275700"	310.136802	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Cl"	34.969402
"15727"	587.283406	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M-2H+K"	36.948606
"463289"	862.450806	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M-2H+K"	36.948606
"837809"	312.116006	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-2H+K"	36.948606
"1566772"	312.116006	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+K-2H"	36.948606
"955381"	320.165594	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-H+HCOOH"	44.998194
"373231"	595.333001	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+HCOOH-H"	44.998201
"354563"	609.348651	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+Hac-H"	59.013851
"1505584"	334.181251	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Hac-H"	59.013851
"967655"	342.147551	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-H+NaCOOH"	66.980151
"122034"	310.136802	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+2Cl"	69.938804
"559404"	447.720502	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+2Cl"	69.938804
"1032578"	172.553102	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2Cl"	69.938804
"1245959"	354.086285	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Br"	78.918885
"1311323"	356.142272	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Cl+HCOOH"	80.974872
"1323351"	378.124229	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Cl+NaCOOH"	102.956829
"917690"	388.152986	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M-H+CF3COOH"	112.985586
"1302432"	424.129664	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Cl+CF3COOH"	148.962264
"1382333"	240.154724	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H-2H2O"	-35.012676
"1396750"	258.1647	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H-H2O"	-17.0027
"294123"	551.342076	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+H"	1.007276
"687275"	826.509476	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+H"	1.007276
"1365327"	276.174676	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H"	1.007276
"134689"	276.174676	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+2H"	2.014552
"575344"	413.758376	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+2H"	2.014552
"1044147"	138.590976	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2H"	2.014552
"214235"	184.452209333333	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+3H"	3.021828
"656350"	276.174676	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+3H"	3.021828
"1173746"	92.7297426666667	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+3H"	3.021828
"436655"	568.368623	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+NH4"	18.033823
"791816"	843.536023	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+NH4"	18.033823
"1689239"	293.201223	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+NH4"	18.033823
"342621"	284.6879495	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+H+NH4"	19.041099
"731033"	422.2716495	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+H+NH4"	19.041099
"1488137"	147.1042495	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H+NH4"	19.041099
"401349"	573.324018	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+Na"	22.989218
"768425"	848.491418	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+Na"	22.989218
"1617993"	298.156618	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Na"	22.989218
"328396"	287.165647	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+H+Na"	23.996494
"720570"	424.749347	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+H+Na"	23.996494
"1475605"	149.581947	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H+Na"	23.996494
"1066542"	100.057056666667	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2H+Na"	25.00377
"1268216"	308.200886	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+CH3OH+H"	33.033486
"391898"	589.297958	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+K"	38.963158
"753253"	864.465358	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+K"	38.963158
"1555192"	314.130558	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+K"	38.963158
"311753"	295.152617	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+H+K"	39.970434
"703806"	432.736317	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+H+K"	39.970434
"1451064"	157.568917	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H+K"	39.970434
"245134"	592.368626	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+ACN+H"	42.033826
"1222222"	317.201226	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+ACN+H"	42.033826
"1208171"	159.104251	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+ACN+2H"	43.041102
"200796"	595.30596	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+2Na-H"	44.97116
"641819"	870.47336	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+2Na-H"	44.97116
"1146192"	320.13856	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2Na-H"	44.97116
"188353"	298.156618	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+2Na"	45.978436
"628234"	435.740318	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+2Na"	45.978436
"1131212"	160.572918	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2Na"	45.978436
"1413639"	107.384370666667	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H+2Na"	46.985712
"1444052"	322.180146	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H+HCOOH"	47.012746
"233382"	303.18964	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+3H2O+2H"	56.04448
"1523148"	336.23219	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+IsoProp+H"	61.06479
"423850"	306.143588	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+Na+K"	61.952376
"778119"	443.727288	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+Na+K"	61.952376
"1674450"	168.559888	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Na+K"	61.952376
"266975"	614.350568	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+ACN+Na"	64.015768
"1240614"	339.183168	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+ACN+Na"	64.015768
"1728391"	339.206693	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+NH4+HCOOH"	64.039293
"1192550"	114.711684666667	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+3Na"	68.967654
"1664022"	344.162088	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Na+HCOOH"	68.994688
"171246"	627.25384	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+2K-H"	76.91904
"610807"	902.42124	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+2K-H"	76.91904
"1099203"	352.08644	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2K-H"	76.91904
"154932"	314.130558	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"2M+2K"	77.926316
"596312"	451.714258	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"3M+2K"	77.926316
"1081545"	176.546858	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2K"	77.926316
"1115249"	354.100992	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2K+H"	78.933592
"1350052"	354.188607	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+DMSO+H"	79.021207
"1019793"	358.227776	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2ACN+H"	83.060376
"1538773"	359.221408	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+IsoProp+Na+H"	84.054008
"1002186"	179.617526	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+2ACN+2H"	84.067652
"1598878"	360.136028	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+K+HCOOH"	84.968628
"1428787"	390.167538	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+H+CF3COOH"	115.000138
"1159198"	200.130801	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+3ACN+2H"	125.094202
"1708748"	407.194085	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+NH4+CF3COOH"	132.026685
"1647678"	412.14948	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+Na+CF3COOH"	136.98208
"1577860"	428.12342	"C06931"	"Cyclobenzaprine"	"C20H21N"	"275.1674"	"M+K+CF3COOH"	152.95602
"810415"	291.1834	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M"	0
"989524"	272.16501	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-H2O-H"	-19.01839
"78078"	193.114990666667	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M-3H"	-3.021828
"518163"	290.176124	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M-3H"	-3.021828
"895024"	96.0538573333333	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-3H"	-3.021828
"13597"	290.176124	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M-2H"	-2.014552
"453171"	435.767824	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M-2H"	-2.014552
"830488"	144.584424	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-2H"	-2.014552
"92541"	581.359524	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M-H"	-1.007276
"531976"	872.542924	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M-H"	-1.007276
"908326"	290.176124	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-H"	-1.007276
"60514"	598.386071	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M-2H+NH4"	16.019271
"500796"	889.569471	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M-2H+NH4"	16.019271
"877503"	307.202671	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-2H+NH4"	16.019271
"46135"	603.341466	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M-2H+Na"	20.974666
"485328"	894.524866	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M-2H+Na"	20.974666
"860943"	312.158066	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-2H+Na"	20.974666
"1630474"	312.158066	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Na-2H"	20.974666
"102629"	308.164463	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M-H+Cl"	33.962126
"538909"	453.756163	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M-H+Cl"	33.962126
"932426"	162.572763	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-H+Cl"	33.962126
"275358"	617.336202	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+Cl"	34.969402
"668874"	908.519602	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+Cl"	34.969402
"1275810"	326.152802	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Cl"	34.969402
"16174"	619.315406	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M-2H+K"	36.948606
"463399"	910.498806	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M-2H+K"	36.948606
"837919"	328.132006	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-2H+K"	36.948606
"1568704"	328.132006	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+K-2H"	36.948606
"955127"	336.181594	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-H+HCOOH"	44.998194
"371882"	627.365001	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+HCOOH-H"	44.998201
"354673"	641.380651	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+Hac-H"	59.013851
"1505694"	350.197251	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Hac-H"	59.013851
"969951"	358.163551	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-H+NaCOOH"	66.980151
"119956"	326.152802	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+2Cl"	69.938804
"559514"	471.744502	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+2Cl"	69.938804
"1031594"	180.561102	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2Cl"	69.938804
"1245705"	370.102285	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Br"	78.918885
"1311433"	372.158272	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Cl+HCOOH"	80.974872
"1324554"	394.140229	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Cl+NaCOOH"	102.956829
"917800"	404.168986	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M-H+CF3COOH"	112.985586
"1303509"	440.145664	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Cl+CF3COOH"	148.962264
"1382035"	256.170724	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H-2H2O"	-35.012676
"1394548"	274.1807	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H-H2O"	-17.0027
"292777"	583.374076	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+H"	1.007276
"687385"	874.557476	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+H"	1.007276
"1365923"	292.190676	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H"	1.007276
"134071"	292.190676	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+2H"	2.014552
"574727"	437.782376	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+2H"	2.014552
"1039883"	146.598976	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2H"	2.014552
"207784"	195.129542666667	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+3H"	3.021828
"651719"	292.190676	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+3H"	3.021828
"1176774"	98.0684093333333	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+3H"	3.021828
"436765"	600.400623	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+NH4"	18.033823
"793020"	891.584023	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+NH4"	18.033823
"1689349"	309.217223	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+NH4"	18.033823
"342002"	300.7039495	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+H+NH4"	19.041099
"732239"	446.2956495	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+H+NH4"	19.041099
"1487154"	155.1122495	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H+NH4"	19.041099
"400367"	605.356018	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+Na"	22.989218
"768656"	896.539418	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+Na"	22.989218
"1617732"	314.172618	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Na"	22.989218
"329559"	303.181647	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+H+Na"	23.996494
"722144"	448.773347	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+H+Na"	23.996494
"1475477"	157.589947	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H+Na"	23.996494
"1067264"	105.395723333333	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2H+Na"	25.00377
"1271608"	324.216886	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+CH3OH+H"	33.033486
"391648"	621.329958	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+K"	38.963158
"753373"	912.513358	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+K"	38.963158
"1553232"	330.146558	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+K"	38.963158
"313892"	311.168617	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+H+K"	39.970434
"703918"	456.760317	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+H+K"	39.970434
"1458831"	165.576917	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H+K"	39.970434
"248529"	624.400626	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+ACN+H"	42.033826
"1222337"	333.217226	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+ACN+H"	42.033826
"1208406"	167.112251	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+ACN+2H"	43.041102
"202004"	627.33796	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+2Na-H"	44.97116
"641571"	918.52136	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+2Na-H"	44.97116
"1146303"	336.15456	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2Na-H"	44.97116
"188260"	314.172618	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+2Na"	45.978436
"628060"	459.764318	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+2Na"	45.978436
"1130838"	168.580918	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2Na"	45.978436
"1413752"	112.723037333333	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H+2Na"	46.985712
"1444162"	338.196146	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H+HCOOH"	47.012746
"235661"	319.20564	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+3H2O+2H"	56.04448
"1523744"	352.24819	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+IsoProp+H"	61.06479
"424150"	322.159588	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+Na+K"	61.952376
"784791"	467.751288	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+Na+K"	61.952376
"1680883"	176.567888	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Na+K"	61.952376
"265828"	646.382568	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+ACN+Na"	64.015768
"1239995"	355.199168	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+ACN+Na"	64.015768
"1726700"	355.222693	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+NH4+HCOOH"	64.039293
"1191690"	120.050351333333	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+3Na"	68.967654
"1662676"	360.178088	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Na+HCOOH"	68.994688
"171727"	659.28584	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+2K-H"	76.91904
"610919"	950.46924	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+2K-H"	76.91904
"1096529"	368.10244	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2K-H"	76.91904
"154073"	330.146558	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"2M+2K"	77.926316
"594844"	475.738258	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"3M+2K"	77.926316
"1083116"	184.554858	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2K"	77.926316
"1112799"	370.116992	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2K+H"	78.933592
"1346279"	370.204607	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+DMSO+H"	79.021207
"1018810"	374.243776	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2ACN+H"	83.060376
"1538040"	375.237408	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+IsoProp+Na+H"	84.054008
"1003029"	187.625526	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+2ACN+2H"	84.067652
"1601543"	376.152028	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+K+HCOOH"	84.968628
"1428290"	406.183538	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+H+CF3COOH"	115.000138
"1157125"	208.138801	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+3ACN+2H"	125.094202
"1712141"	423.210085	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+NH4+CF3COOH"	132.026685
"1647788"	428.16548	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+Na+CF3COOH"	136.98208
"1577970"	444.13942	"C06932"	"Cyclopentolate"	"C17H25NO3"	"291.1834"	"M+K+CF3COOH"	152.95602
"810525"	278.0354	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M"	0
"978590"	259.01701	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-H2O-H"	-19.01839
"72303"	184.349657333333	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M-3H"	-3.021828
"512956"	277.028124	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M-3H"	-3.021828
"892581"	91.6711906666666	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-3H"	-3.021828
"12613"	277.028124	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M-2H"	-2.014552
"455094"	416.045824	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M-2H"	-2.014552
"831805"	138.010424	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-2H"	-2.014552
"91066"	555.063524	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M-H"	-1.007276
"531721"	833.098924	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M-H"	-1.007276
"909530"	277.028124	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-H"	-1.007276
"60988"	572.090071	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M-2H+NH4"	16.019271
"497990"	850.125471	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M-2H+NH4"	16.019271
"876882"	294.054671	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-2H+NH4"	16.019271
"38221"	577.045466	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M-2H+Na"	20.974666
"483981"	855.080866	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M-2H+Na"	20.974666
"857771"	299.010066	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-2H+Na"	20.974666
"1628397"	299.010066	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Na-2H"	20.974666
"101645"	295.016463	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M-H+Cl"	33.962126
"539018"	434.034163	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M-H+Cl"	33.962126
"932536"	155.998763	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-H+Cl"	33.962126
"275468"	591.040202	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+Cl"	34.969402
"668984"	869.075602	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+Cl"	34.969402
"1275920"	313.004802	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Cl"	34.969402
"16893"	593.019406	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M-2H+K"	36.948606
"467883"	871.054806	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M-2H+K"	36.948606
"843496"	314.984006	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-2H+K"	36.948606
"1566984"	314.984006	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+K-2H"	36.948606
"955966"	323.033594	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-H+HCOOH"	44.998194
"374908"	601.069001	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+HCOOH-H"	44.998201
"358063"	615.084651	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+Hac-H"	59.013851
"1506169"	337.049251	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Hac-H"	59.013851
"968968"	345.015551	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-H+NaCOOH"	66.980151
"121525"	313.004802	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+2Cl"	69.938804
"560717"	452.022502	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+2Cl"	69.938804
"1031704"	173.987102	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2Cl"	69.938804
"1246908"	356.954285	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Br"	78.918885
"1311543"	359.010272	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Cl+HCOOH"	80.974872
"1325758"	380.992229	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Cl+NaCOOH"	102.956829
"920096"	391.020986	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M-H+CF3COOH"	112.985586
"1301919"	426.997664	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Cl+CF3COOH"	148.962264
"1381903"	243.022724	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H-2H2O"	-35.012676
"1396484"	261.0327	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H-H2O"	-17.0027
"295076"	557.078076	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+H"	1.007276
"684945"	835.113476	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+H"	1.007276
"1365304"	279.042676	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H"	1.007276
"134181"	279.042676	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+2H"	2.014552
"574837"	418.060376	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+2H"	2.014552
"1038171"	140.024976	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2H"	2.014552
"208988"	186.364209333333	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+3H"	3.021828
"652922"	279.042676	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+3H"	3.021828
"1177251"	93.6857426666667	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+3H"	3.021828
"436510"	574.104623	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+NH4"	18.033823
"794223"	852.140023	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+NH4"	18.033823
"1691646"	296.069223	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+NH4"	18.033823
"342841"	287.5559495	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+H+NH4"	19.041099
"732350"	426.5736495	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+H+NH4"	19.041099
"1487264"	148.5382495	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H+NH4"	19.041099
"401571"	579.060018	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+Na"	22.989218
"768037"	857.095418	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+Na"	22.989218
"1613951"	301.024618	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Na"	22.989218
"329472"	290.033647	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+H+Na"	23.996494
"722176"	429.051347	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+H+Na"	23.996494
"1476640"	151.015947	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H+Na"	23.996494
"1068104"	101.013056666667	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2H+Na"	25.00377
"1271718"	311.068886	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+CH3OH+H"	33.033486
"391754"	595.033958	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+K"	38.963158
"753108"	873.069358	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+K"	38.963158
"1555461"	316.998558	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+K"	38.963158
"311610"	298.020617	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+H+K"	39.970434
"702571"	437.038317	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+H+K"	39.970434
"1457848"	159.002917	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H+K"	39.970434
"246453"	598.104626	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+ACN+H"	42.033826
"1221346"	320.069226	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+ACN+H"	42.033826
"1208518"	160.538251	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+ACN+2H"	43.041102
"201021"	601.04196	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+2Na-H"	44.97116
"641681"	879.07736	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+2Na-H"	44.97116
"1146930"	323.00656	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2Na-H"	44.97116
"188160"	301.024618	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+2Na"	45.978436
"628295"	440.042318	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+2Na"	45.978436
"1130944"	162.006918	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2Na"	45.978436
"1413985"	108.340370666667	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H+2Na"	46.985712
"1444921"	325.048146	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H+HCOOH"	47.012746
"235553"	306.05764	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+3H2O+2H"	56.04448
"1523818"	339.10019	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+IsoProp+H"	61.06479
"424216"	309.011588	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+Na+K"	61.952376
"784780"	448.029288	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+Na+K"	61.952376
"1681171"	169.993888	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Na+K"	61.952376
"266541"	620.086568	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+ACN+Na"	64.015768
"1240467"	342.051168	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+ACN+Na"	64.015768
"1727419"	342.074693	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+NH4+HCOOH"	64.039293
"1191435"	115.667684666667	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+3Na"	68.967654
"1663516"	347.030088	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Na+HCOOH"	68.994688
"171108"	632.98984	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+2K-H"	76.91904
"611029"	911.02524	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+2K-H"	76.91904
"1096275"	354.95444	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2K-H"	76.91904
"154183"	316.998558	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"2M+2K"	77.926316
"595317"	456.016258	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"3M+2K"	77.926316
"1082740"	177.980858	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2K"	77.926316
"1111816"	356.968992	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2K+H"	78.933592
"1348940"	357.056607	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+DMSO+H"	79.021207
"1020504"	361.095776	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2ACN+H"	83.060376
"1537420"	362.089408	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+IsoProp+Na+H"	84.054008
"1003139"	181.051526	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+2ACN+2H"	84.067652
"1599467"	363.004028	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+K+HCOOH"	84.968628
"1429130"	393.035538	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+H+CF3COOH"	115.000138
"1160514"	201.564801	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+3ACN+2H"	125.094202
"1710793"	410.062085	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+NH4+CF3COOH"	132.026685
"1648991"	415.01748	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+Na+CF3COOH"	136.98208
"1578080"	430.99142	"C06933"	"Cyclophosphamide;Cyclophosphamide hydrate"	"C7H15Cl2N2O2PH2O"	"278.0354"	"M+K+CF3COOH"	152.95602
"811728"	287.1674	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M"	0
"978700"	268.14901	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-H2O-H"	-19.01839
"73507"	190.437657333333	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M-3H"	-3.021828
"513066"	286.160124	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M-3H"	-3.021828
"893055"	94.7151906666667	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-3H"	-3.021828
"10537"	286.160124	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M-2H"	-2.014552
"455450"	429.743824	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M-2H"	-2.014552
"829364"	142.576424	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-2H"	-2.014552
"91905"	573.327524	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M-H"	-1.007276
"528544"	860.494924	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M-H"	-1.007276
"910121"	286.160124	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-H"	-1.007276
"57443"	590.354071	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M-2H+NH4"	16.019271
"497735"	877.521471	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M-2H+NH4"	16.019271
"874805"	303.186671	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-2H+NH4"	16.019271
"38331"	595.309466	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M-2H+Na"	20.974666
"482269"	882.476866	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M-2H+Na"	20.974666
"854601"	308.142066	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-2H+Na"	20.974666
"1628507"	308.142066	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Na-2H"	20.974666
"101755"	304.148463	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M-H+Cl"	33.962126
"538035"	447.732163	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M-H+Cl"	33.962126
"932646"	160.564763	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-H+Cl"	33.962126
"272298"	609.304202	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+Cl"	34.969402
"660051"	896.471602	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+Cl"	34.969402
"1272940"	322.136802	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Cl"	34.969402
"16025"	611.283406	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M-2H+K"	36.948606
"465806"	898.450806	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M-2H+K"	36.948606
"845794"	324.116006	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-2H+K"	36.948606
"1568187"	324.116006	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+K-2H"	36.948606
"957169"	332.165594	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-H+HCOOH"	44.998194
"374289"	619.333001	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+HCOOH-H"	44.998201
"357809"	633.348651	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+Hac-H"	59.013851
"1506278"	346.181251	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Hac-H"	59.013851
"971264"	354.147551	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-H+NaCOOH"	66.980151
"119082"	322.136802	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+2Cl"	69.938804
"560827"	465.720502	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+2Cl"	69.938804
"1032907"	178.553102	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2Cl"	69.938804
"1248111"	366.086285	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Br"	78.918885
"1306913"	368.142272	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Cl+HCOOH"	80.974872
"1321855"	390.124229	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Cl+NaCOOH"	102.956829
"918019"	400.152986	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M-H+CF3COOH"	112.985586
"1303123"	436.129664	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Cl+CF3COOH"	148.962264
"1380190"	252.154724	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H-2H2O"	-35.012676
"1396594"	270.1647	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H-H2O"	-17.0027
"294093"	575.342076	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+H"	1.007276
"690038"	862.509476	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+H"	1.007276
"1366510"	288.174676	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H"	1.007276
"134291"	288.174676	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+2H"	2.014552
"574583"	431.758376	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+2H"	2.014552
"1039010"	144.590976	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2H"	2.014552
"209098"	192.452209333333	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+3H"	3.021828
"653032"	288.174676	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+3H"	3.021828
"1177360"	96.7297426666667	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+3H"	3.021828
"436256"	592.368623	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+NH4"	18.033823
"796522"	879.536023	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+NH4"	18.033823
"1690301"	305.201223	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+NH4"	18.033823
"341858"	296.6879495	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+H+NH4"	19.041099
"732460"	440.2716495	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+H+NH4"	19.041099
"1486280"	153.1042495	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H+NH4"	19.041099
"400585"	597.324018	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+Na"	22.989218
"765961"	884.491418	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+Na"	22.989218
"1614787"	310.156618	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Na"	22.989218
"329914"	299.165647	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+H+Na"	23.996494
"722241"	442.749347	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+H+Na"	23.996494
"1476184"	155.581947	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H+Na"	23.996494
"1067972"	104.057056666667	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2H+Na"	25.00377
"1270735"	320.200886	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+CH3OH+H"	33.033486
"392229"	613.297958	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+K"	38.963158
"753746"	900.465358	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+K"	38.963158
"1555558"	326.130558	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+K"	38.963158
"311356"	307.152617	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+H+K"	39.970434
"703045"	450.736317	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+H+K"	39.970434
"1455771"	163.568917	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H+K"	39.970434
"247656"	616.368626	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+ACN+H"	42.033826
"1219270"	329.201226	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+ACN+H"	42.033826
"1204978"	165.104251	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+ACN+2H"	43.041102
"199303"	619.30596	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+2Na-H"	44.97116
"641062"	906.47336	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+2Na-H"	44.97116
"1146845"	332.13856	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2Na-H"	44.97116
"187257"	310.156618	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+2Na"	45.978436
"628491"	453.740318	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+2Na"	45.978436
"1130322"	166.572918	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2Na"	45.978436
"1413898"	111.384370666667	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H+2Na"	46.985712
"1445438"	334.180146	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H+HCOOH"	47.012746
"235344"	315.18964	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+3H2O+2H"	56.04448
"1523809"	348.23219	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+IsoProp+H"	61.06479
"424104"	318.143588	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+Na+K"	61.952376
"782455"	461.727288	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+Na+K"	61.952376
"1681024"	174.559888	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Na+K"	61.952376
"266861"	638.350568	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+ACN+Na"	64.015768
"1240703"	351.183168	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+ACN+Na"	64.015768
"1728060"	351.206693	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+NH4+HCOOH"	64.039293
"1193370"	118.711684666667	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+3Na"	68.967654
"1664354"	356.162088	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Na+HCOOH"	68.994688
"172066"	651.25384	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+2K-H"	76.91904
"612554"	938.42124	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+2K-H"	76.91904
"1099497"	364.08644	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2K-H"	76.91904
"156878"	326.130558	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"2M+2K"	77.926316
"596396"	469.714258	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"3M+2K"	77.926316
"1081997"	182.546858	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2K"	77.926316
"1110833"	366.100992	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2K+H"	78.933592
"1349048"	366.188607	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+DMSO+H"	79.021207
"1020858"	370.227776	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2ACN+H"	83.060376
"1538987"	371.221408	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+IsoProp+Na+H"	84.054008
"1004706"	185.617526	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+2ACN+2H"	84.067652
"1602493"	372.136028	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+K+HCOOH"	84.968628
"1429240"	402.167538	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+H+CF3COOH"	115.000138
"1160625"	206.130801	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+3ACN+2H"	125.094202
"1711875"	419.194085	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+NH4+CF3COOH"	132.026685
"1648008"	424.14948	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+Na+CF3COOH"	136.98208
"1578190"	440.12342	"C06935"	"Cyproheptadine"	"C21H21N"	"287.1674"	"M+K+CF3COOH"	152.95602
"811838"	182.0916	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M"	0
"978810"	163.07321	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-H2O-H"	-19.01839
"73617"	120.387124	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M-3H"	-3.021828
"509896"	181.084324	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M-3H"	-3.021828
"881135"	59.689924	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-3H"	-3.021828
"9553"	181.084324	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M-2H"	-2.014552
"446925"	272.130124	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M-2H"	-2.014552
"828007"	90.038524	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-2H"	-2.014552
"85818"	363.175924	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M-H"	-1.007276
"526468"	545.267524	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M-H"	-1.007276
"906464"	181.084324	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-H"	-1.007276
"54274"	380.202471	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M-2H+NH4"	16.019271
"496023"	562.294071	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M-2H+NH4"	16.019271
"872729"	198.110871	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-2H+NH4"	16.019271
"38441"	385.157866	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M-2H+Na"	20.974666
"480192"	567.249466	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M-2H+Na"	20.974666
"852524"	203.066266	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-2H+Na"	20.974666
"1623150"	203.066266	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Na-2H"	20.974666
"99679"	199.072663	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M-H+Cl"	33.962126
"537052"	290.118463	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M-H+Cl"	33.962126
"931663"	108.026863	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-H+Cl"	33.962126
"272408"	399.152602	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+Cl"	34.969402
"660692"	581.244202	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+Cl"	34.969402
"1272759"	217.061002	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Cl"	34.969402
"15718"	401.131806	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M-2H+K"	36.948606
"463729"	583.223406	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M-2H+K"	36.948606
"843719"	219.040206	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-2H+K"	36.948606
"1567204"	219.040206	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+K-2H"	36.948606
"954000"	227.089794	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-H+HCOOH"	44.998194
"372213"	409.181401	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+HCOOH-H"	44.998201
"356096"	423.197051	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+Hac-H"	59.013851
"1502743"	241.105451	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Hac-H"	59.013851
"970281"	249.071751	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-H+NaCOOH"	66.980151
"119192"	217.061002	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+2Cl"	69.938804
"560937"	308.106802	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+2Cl"	69.938804
"1033017"	126.015202	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2Cl"	69.938804
"1247128"	261.010485	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Br"	78.918885
"1306659"	263.066472	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Cl+HCOOH"	80.974872
"1320872"	285.048429	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Cl+NaCOOH"	102.956829
"917037"	295.077186	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M-H+CF3COOH"	112.985586
"1303597"	331.053864	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Cl+CF3COOH"	148.962264
"1378476"	147.078924	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H-2H2O"	-35.012676
"1394879"	165.0889	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H-H2O"	-17.0027
"296024"	365.190476	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+H"	1.007276
"687353"	547.282076	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+H"	1.007276
"1364429"	183.098876	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H"	1.007276
"132941"	183.098876	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+2H"	2.014552
"576877"	274.144676	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+2H"	2.014552
"1039120"	92.053076	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2H"	2.014552
"206049"	122.401676	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+3H"	3.021828
"652778"	183.098876	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+3H"	3.021828
"1173094"	61.704476	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+3H"	3.021828
"436367"	382.217023	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+NH4"	18.033823
"795539"	564.308623	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+NH4"	18.033823
"1691504"	200.125423	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+NH4"	18.033823
"341238"	191.6121495	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+H+NH4"	19.041099
"732568"	282.6579495	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+H+NH4"	19.041099
"1486389"	100.5663495	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H+NH4"	19.041099
"399602"	387.172418	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+Na"	22.989218
"766071"	569.264018	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+Na"	22.989218
"1614897"	205.080818	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Na"	22.989218
"329879"	194.089847	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+H+Na"	23.996494
"719918"	285.135647	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+H+Na"	23.996494
"1475563"	103.044047	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H+Na"	23.996494
"1068080"	69.03179	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2H+Na"	25.00377
"1272185"	215.125086	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+CH3OH+H"	33.033486
"387233"	403.146358	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+K"	38.963158
"746041"	585.237958	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+K"	38.963158
"1552830"	221.054758	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+K"	38.963158
"311099"	202.076817	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+H+K"	39.970434
"703884"	293.122617	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+H+K"	39.970434
"1449320"	111.031017	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H+K"	39.970434
"245580"	406.217026	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+ACN+H"	42.033826
"1218284"	224.125426	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+ACN+H"	42.033826
"1201077"	112.566351	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+ACN+2H"	43.041102
"198320"	409.15436	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+2Na-H"	44.97116
"640078"	591.24596	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+2Na-H"	44.97116
"1146022"	227.06276	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2Na-H"	44.97116
"187242"	205.080818	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+2Na"	45.978436
"628350"	296.126618	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+2Na"	45.978436
"1130064"	114.035018	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2Na"	45.978436
"1414092"	76.359104	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H+2Na"	46.985712
"1444125"	229.104346	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H+HCOOH"	47.012746
"235169"	210.11384	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+3H2O+2H"	56.04448
"1523832"	243.15639	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+IsoProp+H"	61.06479
"424088"	213.067788	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+Na+K"	61.952376
"783657"	304.113588	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+Na+K"	61.952376
"1680966"	122.021988	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Na+K"	61.952376
"267088"	428.198968	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+ACN+Na"	64.015768
"1240446"	246.107368	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+ACN+Na"	64.015768
"1727885"	246.130893	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+NH4+HCOOH"	64.039293
"1193842"	83.686418	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+3Na"	68.967654
"1665194"	251.086288	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Na+HCOOH"	68.994688
"172620"	441.10224	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+2K-H"	76.91904
"611851"	623.19384	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+2K-H"	76.91904
"1098549"	259.01064	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2K-H"	76.91904
"155484"	221.054758	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"2M+2K"	77.926316
"595406"	312.100558	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"3M+2K"	77.926316
"1081014"	130.008958	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2K"	77.926316
"1109849"	261.025192	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2K+H"	78.933592
"1348065"	261.112807	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+DMSO+H"	79.021207
"1019871"	265.151976	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2ACN+H"	83.060376
"1539709"	266.145608	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+IsoProp+Na+H"	84.054008
"1005179"	133.079626	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+2ACN+2H"	84.067652
"1602440"	267.060228	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+K+HCOOH"	84.968628
"1429827"	297.091738	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+H+CF3COOH"	115.000138
"1161828"	153.592901	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+3ACN+2H"	125.094202
"1711377"	314.118285	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+NH4+CF3COOH"	132.026685
"1647025"	319.07368	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+Na+CF3COOH"	136.98208
"1578300"	335.04762	"C06936"	"Dacarbazine"	"C6H10N6O"	"182.0916"	"M+K+CF3COOH"	152.95602
"811948"	337.2042	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M"	0
"988640"	318.18581	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-H2O-H"	-19.01839
"75549"	223.795524	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M-3H"	-3.021828
"512192"	336.196924	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M-3H"	-3.021828
"888900"	111.394124	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-3H"	-3.021828
"12583"	336.196924	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M-2H"	-2.014552
"449225"	504.799024	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M-2H"	-2.014552
"828848"	167.594824	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-2H"	-2.014552
"85928"	673.401124	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M-H"	-1.007276
"527671"	1010.605324	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M-H"	-1.007276
"906938"	336.196924	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-H"	-1.007276
"56570"	690.427671	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M-2H+NH4"	16.019271
"499050"	1027.631871	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M-2H+NH4"	16.019271
"872839"	353.223471	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-2H+NH4"	16.019271
"35270"	695.383066	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M-2H+Na"	20.974666
"481393"	1032.587266	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M-2H+Na"	20.974666
"853727"	358.178866	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-2H+Na"	20.974666
"1620706"	358.178866	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Na-2H"	20.974666
"100882"	354.185263	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M-H+Cl"	33.962126
"538255"	522.787363	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M-H+Cl"	33.962126
"932866"	185.583163	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-H+Cl"	33.962126
"275798"	709.377802	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+Cl"	34.969402
"663846"	1046.582002	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+Cl"	34.969402
"1273814"	372.173602	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Cl"	34.969402
"16487"	711.357006	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M-2H+K"	36.948606
"466754"	1048.561206	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M-2H+K"	36.948606
"842372"	374.152806	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-2H+K"	36.948606
"1568043"	374.152806	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+K-2H"	36.948606
"953017"	382.202394	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-H+HCOOH"	44.998194
"371229"	719.406601	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+HCOOH-H"	44.998201
"357299"	733.422251	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+Hac-H"	59.013851
"1503945"	396.218051	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Hac-H"	59.013851
"969298"	404.184351	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-H+NaCOOH"	66.980151
"119302"	372.173602	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+2Cl"	69.938804
"561047"	540.775702	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+2Cl"	69.938804
"1033127"	203.571502	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2Cl"	69.938804
"1247238"	416.123085	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Br"	78.918885
"1307497"	418.179072	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Cl+HCOOH"	80.974872
"1320617"	440.161029	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Cl+NaCOOH"	102.956829
"916054"	450.189786	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M-H+CF3COOH"	112.985586
"1300789"	486.166464	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Cl+CF3COOH"	148.962264
"1373115"	302.191524	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H-2H2O"	-35.012676
"1392799"	320.2015	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H-H2O"	-17.0027
"293216"	675.415676	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+H"	1.007276
"688554"	1012.619876	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+H"	1.007276
"1363443"	338.211476	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H"	1.007276
"130863"	338.211476	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+2H"	2.014552
"571520"	506.813576	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+2H"	2.014552
"1039349"	169.609376	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2H"	2.014552
"209318"	225.810076	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+3H"	3.021828
"646690"	338.211476	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+3H"	3.021828
"1172471"	113.408676	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+3H"	3.021828
"430273"	692.442223	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+NH4"	18.033823
"795649"	1029.646423	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+NH4"	18.033823
"1687603"	355.238023	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+NH4"	18.033823
"339161"	346.7247495	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+H+NH4"	19.041099
"732679"	515.3268495	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+H+NH4"	19.041099
"1485405"	178.1226495	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H+NH4"	19.041099
"401901"	697.397618	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+Na"	22.989218
"767277"	1034.601818	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+Na"	22.989218
"1614281"	360.193418	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Na"	22.989218
"327611"	349.202447	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+H+Na"	23.996494
"719666"	517.804547	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+H+Na"	23.996494
"1474219"	180.600347	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H+Na"	23.996494
"1066128"	120.73599	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2H+Na"	25.00377
"1271976"	370.237686	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+CH3OH+H"	33.033486
"390625"	713.371558	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+K"	38.963158
"751251"	1050.575758	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+K"	38.963158
"1553302"	376.167358	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+K"	38.963158
"305374"	357.189417	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+H+K"	39.970434
"694514"	525.791517	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+H+K"	39.970434
"1449426"	188.587317	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H+K"	39.970434
"244596"	716.442226	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+ACN+H"	42.033826
"1216208"	379.238026	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+ACN+H"	42.033826
"1203373"	190.122651	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+ACN+2H"	43.041102
"198429"	719.37956	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+2Na-H"	44.97116
"638729"	1056.58376	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+2Na-H"	44.97116
"1146132"	382.17536	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2Na-H"	44.97116
"187112"	360.193418	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+2Na"	45.978436
"628220"	528.795518	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+2Na"	45.978436
"1129690"	191.591318	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2Na"	45.978436
"1412483"	128.063304	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H+2Na"	46.985712
"1440952"	384.216946	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H+HCOOH"	47.012746
"228826"	365.22644	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+3H2O+2H"	56.04448
"1515793"	398.26899	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+IsoProp+H"	61.06479
"417666"	368.180388	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+Na+K"	61.952376
"777567"	536.782488	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+Na+K"	61.952376
"1680349"	199.578288	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Na+K"	61.952376
"266158"	738.424168	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+ACN+Na"	64.015768
"1241178"	401.219968	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+ACN+Na"	64.015768
"1727147"	401.243493	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+NH4+HCOOH"	64.039293
"1193713"	135.390618	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+3Na"	68.967654
"1664819"	406.198888	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Na+HCOOH"	68.994688
"171924"	751.32744	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+2K-H"	76.91904
"610992"	1088.53164	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+2K-H"	76.91904
"1098910"	414.12324	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2K-H"	76.91904
"154864"	376.167358	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"2M+2K"	77.926316
"594791"	544.769458	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"3M+2K"	77.926316
"1083313"	207.565258	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2K"	77.926316
"1112145"	416.137792	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2K+H"	78.933592
"1349634"	416.225407	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+DMSO+H"	79.021207
"1018889"	420.264576	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2ACN+H"	83.060376
"1539212"	421.258208	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+IsoProp+Na+H"	84.054008
"1005172"	210.635926	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+2ACN+2H"	84.067652
"1602579"	422.172828	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+K+HCOOH"	84.968628
"1429345"	452.204338	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+H+CF3COOH"	115.000138
"1161819"	231.149201	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+3ACN+2H"	125.094202
"1711611"	469.230885	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+NH4+CF3COOH"	132.026685
"1649824"	474.18628	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+Na+CF3COOH"	136.98208
"1578410"	490.16022	"C06938"	"Danazol"	"C22H27NO2"	"337.2042"	"M+K+CF3COOH"	152.95602
"812058"	314.0651	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M"	0
"979030"	295.04671	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-H2O-H"	-19.01839
"74930"	208.369457333333	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M-3H"	-3.021828
"511209"	313.057824	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M-3H"	-3.021828
"886821"	103.681090666667	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-3H"	-3.021828
"13053"	313.057824	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M-2H"	-2.014552
"448238"	470.090374	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M-2H"	-2.014552
"823853"	156.025274	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-2H"	-2.014552
"90410"	627.122924	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M-H"	-1.007276
"525594"	941.188024	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M-H"	-1.007276
"906684"	313.057824	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-H"	-1.007276
"57773"	644.149471	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M-2H+NH4"	16.019271
"499522"	958.214571	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M-2H+NH4"	16.019271
"872949"	330.084371	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-2H+NH4"	16.019271
"36473"	649.104866	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M-2H+Na"	20.974666
"481503"	963.169966	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M-2H+Na"	20.974666
"853837"	335.039766	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-2H+Na"	20.974666
"1620086"	335.039766	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Na-2H"	20.974666
"100992"	331.046163	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M-H+Cl"	33.962126
"537271"	488.078713	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M-H+Cl"	33.962126
"932976"	174.013613	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-H+Cl"	33.962126
"275908"	663.099602	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+Cl"	34.969402
"663956"	977.164702	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+Cl"	34.969402
"1274287"	349.034502	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Cl"	34.969402
"16844"	665.078806	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M-2H+K"	36.948606
"463946"	979.143906	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M-2H+K"	36.948606
"846125"	351.013706	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-2H+K"	36.948606
"1565237"	351.013706	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+K-2H"	36.948606
"953127"	359.063294	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-H+HCOOH"	44.998194
"374254"	673.128401	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+HCOOH-H"	44.998201
"351213"	687.144051	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+Hac-H"	59.013851
"1501868"	373.078951	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Hac-H"	59.013851
"968314"	381.045251	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-H+NaCOOH"	66.980151
"119409"	349.034502	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+2Cl"	69.938804
"551313"	506.067052	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+2Cl"	69.938804
"1024488"	192.001952	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2Cl"	69.938804
"1244429"	392.983985	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Br"	78.918885
"1305297"	395.039972	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Cl+HCOOH"	80.974872
"1320727"	417.021929	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Cl+NaCOOH"	102.956829
"916162"	427.050686	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M-H+CF3COOH"	112.985586
"1300899"	463.027364	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Cl+CF3COOH"	148.962264
"1373225"	279.052424	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H-2H2O"	-35.012676
"1395461"	297.0624	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H-H2O"	-17.0027
"292597"	629.137476	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+H"	1.007276
"687205"	943.202576	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+H"	1.007276
"1363553"	315.072376	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H"	1.007276
"129150"	315.072376	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+2H"	2.014552
"569444"	472.104926	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+2H"	2.014552
"1040796"	158.039826	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2H"	2.014552
"206148"	210.384009333333	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+3H"	3.021828
"653362"	315.072376	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+3H"	3.021828
"1168206"	105.695642666667	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+3H"	3.021828
"429290"	646.164023	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+NH4"	18.033823
"795758"	960.229123	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+NH4"	18.033823
"1687713"	332.098923	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+NH4"	18.033823
"338178"	323.5856495	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+H+NH4"	19.041099
"726226"	480.6181995	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+H+NH4"	19.041099
"1482232"	166.5530995	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H+NH4"	19.041099
"400915"	651.119418	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+Na"	22.989218
"768480"	965.184518	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+Na"	22.989218
"1614391"	337.054318	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Na"	22.989218
"325516"	326.063347	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+H+Na"	23.996494
"720140"	483.095897	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+H+Na"	23.996494
"1476391"	169.030797	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H+Na"	23.996494
"1068178"	113.022956666667	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2H+Na"	25.00377
"1272634"	347.098586	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+CH3OH+H"	33.033486
"389640"	667.093358	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+K"	38.963158
"751725"	981.158458	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+K"	38.963158
"1548309"	353.028258	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+K"	38.963158
"307670"	334.050317	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+H+K"	39.970434
"694987"	491.082867	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+H+K"	39.970434
"1449536"	177.017767	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H+K"	39.970434
"246892"	670.164026	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+ACN+H"	42.033826
"1217411"	356.098926	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+ACN+H"	42.033826
"1203483"	178.553101	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+ACN+2H"	43.041102
"199632"	673.10136	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+2Na-H"	44.97116
"637005"	987.16646	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+2Na-H"	44.97116
"1140521"	359.03626	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2Na-H"	44.97116
"187101"	337.054318	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+2Na"	45.978436
"627636"	494.086868	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+2Na"	45.978436
"1127977"	180.021768	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2Na"	45.978436
"1411133"	120.350270666667	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H+2Na"	46.985712
"1439238"	361.077846	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H+HCOOH"	47.012746
"228936"	342.08734	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+3H2O+2H"	56.04448
"1514810"	375.12989	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+IsoProp+H"	61.06479
"414496"	345.041288	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+Na+K"	61.952376
"773304"	502.073838	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+Na+K"	61.952376
"1680782"	188.008738	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Na+K"	61.952376
"266389"	692.145968	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+ACN+Na"	64.015768
"1240802"	378.080868	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+ACN+Na"	64.015768
"1728226"	378.104393	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+NH4+HCOOH"	64.039293
"1193215"	127.677584666667	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+3Na"	68.967654
"1664809"	383.059788	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Na+HCOOH"	68.994688
"172277"	705.04924	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+2K-H"	76.91904
"612626"	1019.11434	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+2K-H"	76.91904
"1099139"	390.98414	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2K-H"	76.91904
"154611"	353.028258	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"2M+2K"	77.926316
"595266"	510.060808	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"3M+2K"	77.926316
"1082691"	195.995708	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2K"	77.926316
"1112255"	392.998692	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2K+H"	78.933592
"1350597"	393.086307	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+DMSO+H"	79.021207
"1018635"	397.125476	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2ACN+H"	83.060376
"1539443"	398.119108	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+IsoProp+Na+H"	84.054008
"1003945"	199.066376	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+2ACN+2H"	84.067652
"1602338"	399.033728	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+K+HCOOH"	84.968628
"1429331"	429.065238	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+H+CF3COOH"	115.000138
"1161929"	219.579651	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+3ACN+2H"	125.094202
"1712207"	446.091785	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+NH4+CF3COOH"	132.026685
"1649069"	451.04718	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+Na+CF3COOH"	136.98208
"1578520"	467.02112	"C06939"	"Dantrolene"	"C14H10N4O5"	"314.0651"	"M+K+CF3COOH"	152.95602
"812168"	560.3534	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M"	0
"986795"	541.33501	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-H2O-H"	-19.01839
"73947"	372.561657333333	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M-3H"	-3.021828
"511320"	559.346124	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M-3H"	-3.021828
"888026"	185.777190666667	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-3H"	-3.021828
"14257"	559.346124	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M-2H"	-2.014552
"449443"	839.522824	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M-2H"	-2.014552
"827242"	279.169424	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-2H"	-2.014552
"88702"	1119.699524	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M-H"	-1.007276
"527891"	1680.052924	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M-H"	-1.007276
"907521"	559.346124	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-H"	-1.007276
"58976"	1136.726071	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M-2H+NH4"	16.019271
"499632"	1697.079471	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M-2H+NH4"	16.019271
"873059"	576.372671	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-2H+NH4"	16.019271
"36583"	1141.681466	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M-2H+Na"	20.974666
"477239"	1702.034866	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M-2H+Na"	20.974666
"855040"	581.328066	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-2H+Na"	20.974666
"1622383"	581.328066	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Na-2H"	20.974666
"101103"	577.334463	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M-H+Cl"	33.962126
"539569"	857.511163	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M-H+Cl"	33.962126
"938553"	297.157763	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-H+Cl"	33.962126
"276017"	1155.676202	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+Cl"	34.969402
"664430"	1716.029602	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+Cl"	34.969402
"1275008"	595.322802	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Cl"	34.969402
"17928"	1157.655406	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M-2H+K"	36.948606
"458585"	1718.008806	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M-2H+K"	36.948606
"834925"	597.302006	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-2H+K"	36.948606
"1565347"	597.302006	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+K-2H"	36.948606
"953964"	605.351594	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-H+HCOOH"	44.998194
"374365"	1165.705001	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+HCOOH-H"	44.998201
"356062"	1179.720651	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+Hac-H"	59.013851
"1501978"	619.367251	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Hac-H"	59.013851
"968424"	627.333551	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-H+NaCOOH"	66.980151
"120612"	595.322802	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+2Cl"	69.938804
"552882"	875.499502	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+2Cl"	69.938804
"1030067"	315.146102	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2Cl"	69.938804
"1245268"	639.272285	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Br"	78.918885
"1312093"	641.328272	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Cl+HCOOH"	80.974872
"1322296"	663.310229	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Cl+NaCOOH"	102.956829
"916273"	673.338986	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M-H+CF3COOH"	112.985586
"1302101"	709.315664	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Cl+CF3COOH"	148.962264
"1376615"	525.340724	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H-2H2O"	-35.012676
"1395207"	543.3507	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H-H2O"	-17.0027
"295623"	1121.714076	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+H"	1.007276
"689503"	1682.067476	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+H"	1.007276
"1362935"	561.360676	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H"	1.007276
"132175"	561.360676	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+2H"	2.014552
"572834"	841.537376	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+2H"	2.014552
"1043824"	281.183976	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2H"	2.014552
"209538"	374.576209333333	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+3H"	3.021828
"653472"	561.360676	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+3H"	3.021828
"1171598"	187.791742666667	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+3H"	3.021828
"429398"	1138.740623	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+NH4"	18.033823
"793681"	1699.094023	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+NH4"	18.033823
"1688916"	578.387223	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+NH4"	18.033823
"338288"	569.8739495	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+H+NH4"	19.041099
"728522"	850.0506495	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+H+NH4"	19.041099
"1482342"	289.6972495	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H+NH4"	19.041099
"401025"	1143.696018	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+Na"	22.989218
"767497"	1704.049418	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+Na"	22.989218
"1613407"	583.342618	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Na"	22.989218
"325625"	572.351647	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+H+Na"	23.996494
"722194"	852.528347	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+H+Na"	23.996494
"1476140"	292.174947	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H+Na"	23.996494
"1068212"	195.119056666667	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2H+Na"	25.00377
"1272556"	593.386886	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+CH3OH+H"	33.033486
"387563"	1159.669958	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+K"	38.963158
"750742"	1720.023358	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+K"	38.963158
"1544045"	599.316558	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+K"	38.963158
"307780"	580.338617	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+H+K"	39.970434
"694732"	860.515317	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+H+K"	39.970434
"1447460"	300.161917	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H+K"	39.970434
"248095"	1162.740626	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+ACN+H"	42.033826
"1218614"	602.387226	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+ACN+H"	42.033826
"1205779"	301.697251	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+ACN+2H"	43.041102
"198649"	1165.67796	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+2Na-H"	44.97116
"637115"	1726.03136	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+2Na-H"	44.97116
"1141724"	605.32456	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2Na-H"	44.97116
"186967"	583.342618	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+2Na"	45.978436
"627867"	863.519318	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+2Na"	45.978436
"1128816"	303.165918	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2Na"	45.978436
"1411972"	202.446370666667	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H+2Na"	46.985712
"1440441"	607.366146	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H+HCOOH"	47.012746
"232326"	588.37564	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+3H2O+2H"	56.04448
"1516013"	621.41819	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+IsoProp+H"	61.06479
"416792"	591.329588	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+Na+K"	61.952376
"775600"	871.506288	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+Na+K"	61.952376
"1677402"	311.152888	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Na+K"	61.952376
"265769"	1184.722568	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+ACN+Na"	64.015768
"1240545"	624.369168	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+ACN+Na"	64.015768
"1727730"	624.392693	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+NH4+HCOOH"	64.039293
"1193083"	209.773684666667	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+3Na"	68.967654
"1664797"	629.348088	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Na+HCOOH"	68.994688
"169833"	1197.62584	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+2K-H"	76.91904
"611580"	1757.97924	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+2K-H"	76.91904
"1098276"	637.27244	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2K-H"	76.91904
"155820"	599.316558	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"2M+2K"	77.926316
"593918"	879.493258	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"3M+2K"	77.926316
"1081708"	319.139858	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2K"	77.926316
"1113095"	639.286992	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2K+H"	78.933592
"1349855"	639.374607	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+DMSO+H"	79.021207
"1017651"	643.413776	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2ACN+H"	83.060376
"1538577"	644.407408	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+IsoProp+Na+H"	84.054008
"1005028"	322.210526	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+2ACN+2H"	84.067652
"1601959"	645.322028	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+K+HCOOH"	84.968628
"1429315"	675.353538	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+H+CF3COOH"	115.000138
"1162718"	342.723801	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+3ACN+2H"	125.094202
"1711344"	692.380085	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+NH4+CF3COOH"	132.026685
"1648814"	697.33548	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+Na+CF3COOH"	136.98208
"1578630"	713.30942	"C06940"	"Deferoxamine"	"C25H48N6O8"	"560.3534"	"M+K+CF3COOH"	152.95602
"812278"	456.1944	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M"	0
"988970"	437.17601	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-H2O-H"	-19.01839
"74057"	303.122324	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M-3H"	-3.021828
"514709"	455.187124	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M-3H"	-3.021828
"889229"	151.057524	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-3H"	-3.021828
"14366"	455.187124	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M-2H"	-2.014552
"450646"	683.284324	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M-2H"	-2.014552
"827352"	227.089924	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-2H"	-2.014552
"89176"	911.381524	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M-H"	-1.007276
"529094"	1367.575924	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M-H"	-1.007276
"904715"	455.187124	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-H"	-1.007276
"60179"	928.408071	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M-2H+NH4"	16.019271
"500471"	1384.602471	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M-2H+NH4"	16.019271
"876448"	472.213671	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-2H+NH4"	16.019271
"37786"	933.363466	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M-2H+Na"	20.974666
"476255"	1389.557866	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M-2H+Na"	20.974666
"855150"	477.169066	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-2H+Na"	20.974666
"1621034"	477.169066	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Na-2H"	20.974666
"101213"	473.175463	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M-H+Cl"	33.962126
"539679"	701.272663	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M-H+Cl"	33.962126
"938663"	245.078263	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-H+Cl"	33.962126
"276127"	947.358202	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+Cl"	34.969402
"666363"	1403.552602	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+Cl"	34.969402
"1278767"	491.163802	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Cl"	34.969402
"18042"	949.337406	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M-2H+K"	36.948606
"461978"	1405.531806	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M-2H+K"	36.948606
"835404"	493.143006	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-2H+K"	36.948606
"1566550"	493.143006	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+K-2H"	36.948606
"954073"	501.192594	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-H+HCOOH"	44.998194
"369371"	957.387001	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+HCOOH-H"	44.998201
"354349"	971.402651	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+Hac-H"	59.013851
"1502087"	515.208251	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Hac-H"	59.013851
"967442"	523.174551	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-H+NaCOOH"	66.980151
"120722"	491.163802	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+2Cl"	69.938804
"555543"	719.261002	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+2Cl"	69.938804
"1029082"	263.066602	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2Cl"	69.938804
"1246838"	535.113285	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Br"	78.918885
"1314391"	537.169272	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Cl+HCOOH"	80.974872
"1324595"	559.151229	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Cl+NaCOOH"	102.956829
"912371"	569.179986	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M-H+CF3COOH"	112.985586
"1302212"	605.156664	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Cl+CF3COOH"	148.962264
"1376725"	421.181724	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H-2H2O"	-35.012676
"1395317"	439.1917	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H-H2O"	-17.0027
"296099"	913.396076	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+H"	1.007276
"691194"	1369.590476	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+H"	1.007276
"1363409"	457.201676	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H"	1.007276
"130103"	457.201676	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+2H"	2.014552
"574037"	685.298876	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+2H"	2.014552
"1041747"	229.104476	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2H"	2.014552
"208554"	305.136876	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+3H"	3.021828
"655770"	457.201676	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+3H"	3.021828
"1171708"	153.072076	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+3H"	3.021828
"428416"	930.422623	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+NH4"	18.033823
"790509"	1386.617023	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+NH4"	18.033823
"1692304"	474.228223	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+NH4"	18.033823
"338397"	465.7149495	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+H+NH4"	19.041099
"729724"	693.8121495	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+H+NH4"	19.041099
"1481358"	237.6177495	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H+NH4"	19.041099
"400041"	935.378018	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+Na"	22.989218
"769387"	1391.572418	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+Na"	22.989218
"1614609"	479.183618	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Na"	22.989218
"323548"	468.192647	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+H+Na"	23.996494
"718171"	696.289847	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+H+Na"	23.996494
"1470899"	240.095447	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H+Na"	23.996494
"1065963"	160.39939	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2H+Na"	25.00377
"1269098"	489.227886	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+CH3OH+H"	33.033486
"385485"	951.351958	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+K"	38.963158
"749758"	1407.546358	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+K"	38.963158
"1544154"	495.157558	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+K"	38.963158
"303516"	476.179617	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+H+K"	39.970434
"694843"	704.276817	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+H+K"	39.970434
"1446108"	248.082417	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H+K"	39.970434
"246017"	954.422626	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+ACN+H"	42.033826
"1215444"	498.228226	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+ACN+H"	42.033826
"1206982"	249.617751	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+ACN+2H"	43.041102
"197666"	957.35996	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+2Na-H"	44.97116
"635038"	1413.55436	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+2Na-H"	44.97116
"1139641"	501.16556	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2Na-H"	44.97116
"174179"	479.183618	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+2Na"	45.978436
"626510"	707.280818	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+2Na"	45.978436
"1129285"	251.086418	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2Na"	45.978436
"1404062"	167.726704	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H+2Na"	46.985712
"1436175"	503.207146	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H+HCOOH"	47.012746
"232436"	484.21664	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+3H2O+2H"	56.04448
"1511749"	517.25919	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+IsoProp+H"	61.06479
"412528"	487.170588	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+Na+K"	61.952376
"774617"	715.267788	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+Na+K"	61.952376
"1677512"	259.073388	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Na+K"	61.952376
"267050"	976.404568	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+ACN+Na"	64.015768
"1241018"	520.210168	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+ACN+Na"	64.015768
"1727840"	520.233693	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+NH4+HCOOH"	64.039293
"1193192"	175.054018	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+3Na"	68.967654
"1664299"	525.189088	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Na+HCOOH"	68.994688
"170673"	989.30784	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+2K-H"	76.91904
"611567"	1445.50224	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+2K-H"	76.91904
"1098873"	533.11344	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2K-H"	76.91904
"155564"	495.157558	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"2M+2K"	77.926316
"594394"	723.254758	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"3M+2K"	77.926316
"1083397"	267.060358	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2K"	77.926316
"1113568"	535.127992	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2K+H"	78.933592
"1349599"	535.215607	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+DMSO+H"	79.021207
"1017761"	539.254776	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2ACN+H"	83.060376
"1538079"	540.248408	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+IsoProp+Na+H"	84.054008
"1004162"	270.131026	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+2ACN+2H"	84.067652
"1601218"	541.163028	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+K+HCOOH"	84.968628
"1428696"	571.194538	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+H+CF3COOH"	115.000138
"1161663"	290.644301	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+3ACN+2H"	125.094202
"1711455"	588.221085	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+NH4+CF3COOH"	132.026685
"1646371"	593.17648	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+Na+CF3COOH"	136.98208
"1576553"	609.15042	"C06941"	"Delavirdine"	"C22H28N6O3S"	"456.1944"	"M+K+CF3COOH"	152.95602
"812391"	266.1783	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M"	0
"983737"	247.15991	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-H2O-H"	-19.01839
"75260"	176.444924	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M-3H"	-3.021828
"515912"	265.171024	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M-3H"	-3.021828
"889340"	87.718824	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-3H"	-3.021828
"13383"	265.171024	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M-2H"	-2.014552
"450756"	398.260174	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M-2H"	-2.014552
"829285"	132.081874	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-2H"	-2.014552
"89651"	531.349324	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M-H"	-1.007276
"530668"	797.527624	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M-H"	-1.007276
"905918"	265.171024	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-H"	-1.007276
"59932"	548.375871	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M-2H+NH4"	16.019271
"499127"	814.554171	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M-2H+NH4"	16.019271
"876927"	282.197571	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-2H+NH4"	16.019271
"44827"	553.331266	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M-2H+Na"	20.974666
"485846"	819.509566	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M-2H+Na"	20.974666
"859636"	287.152966	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-2H+Na"	20.974666
"1633180"	287.152966	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Na-2H"	20.974666
"103510"	283.159363	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M-H+Cl"	33.962126
"545259"	416.248513	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M-H+Cl"	33.962126
"938773"	150.070213	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-H+Cl"	33.962126
"276970"	567.326002	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+Cl"	34.969402
"667566"	833.504302	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+Cl"	34.969402
"1281064"	301.147702	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Cl"	34.969402
"18152"	569.305206	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M-2H+K"	36.948606
"462088"	835.483506	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M-2H+K"	36.948606
"833813"	303.126906	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-2H+K"	36.948606
"1561920"	303.126906	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+K-2H"	36.948606
"955645"	311.176494	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-H+HCOOH"	44.998194
"369484"	577.354801	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+HCOOH-H"	44.998201
"357375"	591.370451	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+Hac-H"	59.013851
"1501104"	325.192151	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Hac-H"	59.013851
"965367"	333.158451	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-H+NaCOOH"	66.980151
"116461"	301.147702	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+2Cl"	69.938804
"554195"	434.236852	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+2Cl"	69.938804
"1028827"	168.058552	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2Cl"	69.938804
"1245489"	345.097185	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Br"	78.918885
"1317054"	347.153172	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Cl+HCOOH"	80.974872
"1326529"	369.135129	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Cl+NaCOOH"	102.956829
"912481"	379.163886	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M-H+CF3COOH"	112.985586
"1301594"	415.140564	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Cl+CF3COOH"	148.962264
"1381699"	231.165624	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H-2H2O"	-35.012676
"1387770"	249.1756	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H-H2O"	-17.0027
"293654"	533.363876	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+H"	1.007276
"690696"	799.542176	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+H"	1.007276
"1363155"	267.185576	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H"	1.007276
"130213"	267.185576	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+2H"	2.014552
"574147"	400.274726	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+2H"	2.014552
"1044043"	134.096426	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2H"	2.014552
"211945"	178.459476	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+3H"	3.021828
"654786"	267.185576	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+3H"	3.021828
"1172912"	89.733376	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+3H"	3.021828
"433995"	550.390423	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+NH4"	18.033823
"790621"	816.568723	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+NH4"	18.033823
"1688046"	284.212123	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+NH4"	18.033823
"338508"	275.6988495	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+H+NH4"	19.041099
"735307"	408.7879995	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+H+NH4"	19.041099
"1484751"	142.6096995	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H+NH4"	19.041099
"406716"	555.345818	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+Na"	22.989218
"769539"	821.524118	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+Na"	22.989218
"1617882"	289.167518	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Na"	22.989218
"326947"	278.176547	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+H+Na"	23.996494
"721926"	411.265697	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+H+Na"	23.996494
"1473925"	145.087397	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H+Na"	23.996494
"1067168"	97.06069	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2H+Na"	25.00377
"1271397"	299.211786	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+CH3OH+H"	33.033486
"391063"	571.319758	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+K"	38.963158
"752786"	837.498058	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+K"	38.963158
"1546452"	305.141458	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+K"	38.963158
"306906"	286.163517	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+H+K"	39.970434
"696046"	419.252667	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+H+K"	39.970434
"1448772"	153.074367	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H+K"	39.970434
"237376"	574.390426	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+ACN+H"	42.033826
"1211662"	308.212126	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+ACN+H"	42.033826
"1198341"	154.609701	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+ACN+2H"	43.041102
"195589"	577.32776	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+2Na-H"	44.97116
"632961"	843.50606	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+2Na-H"	44.97116
"1140844"	311.14946	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2Na-H"	44.97116
"176476"	289.167518	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+2Na"	45.978436
"628501"	422.256668	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+2Na"	45.978436
"1130494"	156.078368	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2Na"	45.978436
"1411828"	104.388004	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H+2Na"	46.985712
"1440660"	313.191046	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H+HCOOH"	47.012746
"235102"	294.20054	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+3H2O+2H"	56.04448
"1522069"	327.24309	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+IsoProp+H"	61.06479
"422481"	297.154488	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+Na+K"	61.952376
"778009"	430.243638	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+Na+K"	61.952376
"1680175"	164.065338	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Na+K"	61.952376
"266980"	596.372368	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+ACN+Na"	64.015768
"1240954"	330.194068	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+ACN+Na"	64.015768
"1728302"	330.217593	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+NH4+HCOOH"	64.039293
"1193911"	111.715318	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+3Na"	68.967654
"1663801"	335.172988	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Na+HCOOH"	68.994688
"170052"	609.27564	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+2K-H"	76.91904
"612040"	875.45394	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+2K-H"	76.91904
"1098859"	343.09734	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2K-H"	76.91904
"156281"	305.141458	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"2M+2K"	77.926316
"594508"	438.230608	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"3M+2K"	77.926316
"1082910"	172.052308	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2K"	77.926316
"1113324"	345.111892	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2K+H"	78.933592
"1349590"	345.199507	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+DMSO+H"	79.021207
"1018603"	349.238676	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2ACN+H"	83.060376
"1539409"	350.232308	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+IsoProp+Na+H"	84.054008
"1005551"	175.122976	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+2ACN+2H"	84.067652
"1602590"	351.146928	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+K+HCOOH"	84.968628
"1429713"	381.178438	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+H+CF3COOH"	115.000138
"1162016"	195.636251	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+3ACN+2H"	125.094202
"1712173"	398.204985	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+NH4+CF3COOH"	132.026685
"1649685"	403.16038	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+Na+CF3COOH"	136.98208
"1578850"	419.13432	"C06943"	"Desipramine"	"C18H22N2"	"266.1783"	"M+K+CF3COOH"	152.95602
"811408"	1068.427	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M"	0
"984941"	1049.40861	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-H2O-H"	-19.01839
"73183"	711.277390666667	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M-3H"	-3.021828
"510554"	1067.419724	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M-3H"	-3.021828
"886167"	355.135057333333	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-3H"	-3.021828
"6931"	1067.419724	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M-2H"	-2.014552
"449773"	1601.633224	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M-2H"	-2.014552
"825386"	533.206224	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-2H"	-2.014552
"89391"	2135.846724	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M-H"	-1.007276
"528956"	3204.273724	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M-H"	-1.007276
"904935"	1067.419724	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-H"	-1.007276
"58217"	2152.873271	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M-2H+NH4"	16.019271
"497777"	3221.300271	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M-2H+NH4"	16.019271
"875576"	1084.446271	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-2H+NH4"	16.019271
"43477"	2157.828666	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M-2H+Na"	20.974666
"478664"	3226.255666	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M-2H+Na"	20.974666
"859746"	1089.401666	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-2H+Na"	20.974666
"1627092"	1089.401666	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Na-2H"	20.974666
"101433"	1085.408063	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M-H+Cl"	33.962126
"538806"	1619.621563	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M-H+Cl"	33.962126
"927418"	551.194563	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-H+Cl"	33.962126
"267225"	2171.823402	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+Cl"	34.969402
"663301"	3240.250402	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+Cl"	34.969402
"1272844"	1103.396402	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Cl"	34.969402
"15989"	2173.802606	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M-2H+K"	36.948606
"457825"	3242.229606	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M-2H+K"	36.948606
"833393"	1105.375606	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-2H+K"	36.948606
"1557657"	1105.375606	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+K-2H"	36.948606
"950281"	1113.425194	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-H+HCOOH"	44.998194
"369589"	2181.852201	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+HCOOH-H"	44.998201
"353476"	2195.867851	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+Hac-H"	59.013851
"1498298"	1127.440851	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Hac-H"	59.013851
"967300"	1135.407151	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-H+NaCOOH"	66.980151
"116570"	1103.396402	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+2Cl"	69.938804
"553577"	1637.609902	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+2Cl"	69.938804
"1021642"	569.182902	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2Cl"	69.938804
"1242314"	1147.345885	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Br"	78.918885
"1304882"	1149.401872	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Cl+HCOOH"	80.974872
"1320268"	1171.383829	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Cl+NaCOOH"	102.956829
"913681"	1181.412586	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M-H+CF3COOH"	112.985586
"1301338"	1217.389264	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Cl+CF3COOH"	148.962264
"1381321"	1033.414324	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H-2H2O"	-35.012676
"1387151"	1051.4243	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H-H2O"	-17.0027
"290846"	2137.861276	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+H"	1.007276
"683998"	3206.288276	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+H"	1.007276
"1363265"	1069.434276	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H"	1.007276
"129958"	1069.434276	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+2H"	2.014552
"571340"	1603.647776	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+2H"	2.014552
"1043060"	535.220776	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2H"	2.014552
"212054"	713.291942666667	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+3H"	3.021828
"654897"	1069.434276	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+3H"	3.021828
"1169742"	357.149609333333	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+3H"	3.021828
"433012"	2154.887823	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+NH4"	18.033823
"786469"	3223.314823	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+NH4"	18.033823
"1688149"	1086.460823	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+NH4"	18.033823
"337524"	1077.9475495	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+H+NH4"	19.041099
"728856"	1612.1610495	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+H+NH4"	19.041099
"1481582"	543.7340495	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H+NH4"	19.041099
"403546"	2159.843218	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+Na"	22.989218
"762354"	3228.270218	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+Na"	22.989218
"1611546"	1091.416218	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Na"	22.989218
"328147"	1080.425247	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+H+Na"	23.996494
"721432"	1614.638747	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+H+Na"	23.996494
"1476101"	546.211747	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H+Na"	23.996494
"1067281"	364.476923333333	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2H+Na"	25.00377
"1271143"	1101.460486	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+CH3OH+H"	33.033486
"389351"	2175.817158	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+K"	38.963158
"752167"	3244.244158	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+K"	38.963158
"1545469"	1107.390158	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+K"	38.963158
"303736"	1088.412217	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+H+K"	39.970434
"693967"	1622.625717	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+H+K"	39.970434
"1449974"	554.198717	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H+K"	39.970434
"241854"	2178.887826	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+ACN+H"	42.033826
"1214566"	1110.460826	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+ACN+H"	42.033826
"1200637"	555.734051	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+ACN+2H"	43.041102
"195699"	2181.82516	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+2Na-H"	44.97116
"634164"	3250.25216	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+2Na-H"	44.97116
"1140954"	1113.39816	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2Na-H"	44.97116
"178772"	1091.416218	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+2Na"	45.978436
"626005"	1625.629718	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+2Na"	45.978436
"1127323"	557.202718	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2Na"	45.978436
"1409750"	371.804237333333	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H+2Na"	46.985712
"1442590"	1115.439746	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H+HCOOH"	47.012746
"227185"	1096.44924	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+3H2O+2H"	56.04448
"1513059"	1129.49179	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+IsoProp+H"	61.06479
"417118"	1099.403188	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+Na+K"	61.952376
"777026"	1633.616688	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+Na+K"	61.952376
"1668982"	565.189688	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Na+K"	61.952376
"265351"	2200.869768	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+ACN+Na"	64.015768
"1240611"	1132.442768	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+ACN+Na"	64.015768
"1724756"	1132.466293	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+NH4+HCOOH"	64.039293
"1193037"	379.131551333333	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+3Na"	68.967654
"1664639"	1137.421688	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Na+HCOOH"	68.994688
"171253"	2213.77304	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+2K-H"	76.91904
"612271"	3282.20004	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+2K-H"	76.91904
"1097511"	1145.34604	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2K-H"	76.91904
"153954"	1107.390158	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"2M+2K"	77.926316
"587317"	1641.603658	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"3M+2K"	77.926316
"1077296"	573.176658	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2K"	77.926316
"1103944"	1147.360592	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2K+H"	78.933592
"1346897"	1147.448207	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+DMSO+H"	79.021207
"1018223"	1151.487376	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2ACN+H"	83.060376
"1539031"	1152.481008	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+IsoProp+Na+H"	84.054008
"1005622"	576.247326	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+2ACN+2H"	84.067652
"1602693"	1153.395628	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+K+HCOOH"	84.968628
"1429880"	1183.427138	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+H+CF3COOH"	115.000138
"1162123"	596.760601	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+3ACN+2H"	125.094202
"1711312"	1200.453685	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+NH4+CF3COOH"	132.026685
"1649795"	1205.40908	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+Na+CF3COOH"	136.98208
"1578960"	1221.38302	"C06944"	"Desmopressin"	"C46H64N14O12S2"	"1068.427"	"M+K+CF3COOH"	152.95602
"812610"	274.1237	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M"	0
"985049"	255.10531	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-H2O-H"	-19.01839
"68918"	181.741857333333	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M-3H"	-3.021828
"509569"	273.116424	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M-3H"	-3.021828
"882629"	90.3672906666666	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-3H"	-3.021828
"5946"	273.116424	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M-2H"	-2.014552
"446600"	410.178274	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M-2H"	-2.014552
"825496"	136.054574	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-2H"	-2.014552
"87676"	547.240124	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M-H"	-1.007276
"528702"	821.363824	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M-H"	-1.007276
"906867"	273.116424	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-H"	-1.007276
"59420"	564.266671	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M-2H+NH4"	16.019271
"498980"	838.390371	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M-2H+NH4"	16.019271
"876779"	290.142971	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-2H+NH4"	16.019271
"43953"	569.222066	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M-2H+Na"	20.974666
"479867"	843.345766	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M-2H+Na"	20.974666
"857668"	295.098366	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-2H+Na"	20.974666
"1628295"	295.098366	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Na-2H"	20.974666
"101543"	291.104763	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M-H+Cl"	33.962126
"537822"	428.166613	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M-H+Cl"	33.962126
"927688"	154.042913	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-H+Cl"	33.962126
"267582"	583.216802	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+Cl"	34.969402
"663411"	857.340502	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+Cl"	34.969402
"1272901"	309.093102	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Cl"	34.969402
"16223"	585.196006	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M-2H+K"	36.948606
"456463"	859.319706	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M-2H+K"	36.948606
"832948"	311.072306	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-2H+K"	36.948606
"1558495"	311.072306	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+K-2H"	36.948606
"950755"	319.121894	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-H+HCOOH"	44.998194
"370063"	593.245601	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+HCOOH-H"	44.998201
"354679"	607.261251	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+Hac-H"	59.013851
"1501323"	333.137551	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Hac-H"	59.013851
"964129"	341.103851	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-H+NaCOOH"	66.980151
"116678"	309.093102	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+2Cl"	69.938804
"553686"	446.154952	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+2Cl"	69.938804
"1022482"	172.031252	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2Cl"	69.938804
"1242177"	353.042585	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Br"	78.918885
"1304624"	355.098572	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Cl+HCOOH"	80.974872
"1320419"	377.080529	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Cl+NaCOOH"	102.956829
"911964"	387.109286	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M-H+CF3COOH"	112.985586
"1299988"	423.085964	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Cl+CF3COOH"	148.962264
"1379243"	239.111024	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H-2H2O"	-35.012676
"1387990"	257.121	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H-H2O"	-17.0027
"287676"	549.254676	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+H"	1.007276
"684108"	823.378376	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+H"	1.007276
"1363375"	275.130976	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H"	1.007276
"130068"	275.130976	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+2H"	2.014552
"570356"	412.192826	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+2H"	2.014552
"1044263"	138.069126	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2H"	2.014552
"213257"	183.756409333333	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+3H"	3.021828
"656100"	275.130976	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+3H"	3.021828
"1172038"	92.3818426666667	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+3H"	3.021828
"432029"	566.281223	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+NH4"	18.033823
"785971"	840.404923	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+NH4"	18.033823
"1686073"	292.157523	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+NH4"	18.033823
"336540"	283.6442495	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+H+NH4"	19.041099
"728966"	420.7060995	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+H+NH4"	19.041099
"1482785"	146.5823995	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H+NH4"	19.041099
"404749"	571.236618	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+Na"	22.989218
"762463"	845.360318	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+Na"	22.989218
"1610561"	297.112918	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Na"	22.989218
"328743"	286.121947	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+H+Na"	23.996494
"721663"	423.183797	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+H+Na"	23.996494
"1476577"	149.060097	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H+Na"	23.996494
"1066292"	99.7091566666667	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2H+Na"	25.00377
"1269429"	307.157186	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+CH3OH+H"	33.033486
"389095"	587.210558	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+K"	38.963158
"747902"	861.334258	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+K"	38.963158
"1545578"	313.086858	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+K"	38.963158
"302752"	294.108917	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+H+K"	39.970434
"693349"	431.170767	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+H+K"	39.970434
"1450083"	157.047067	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H+K"	39.970434
"241597"	590.281226	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+ACN+H"	42.033826
"1213579"	316.157526	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+ACN+H"	42.033826
"1200741"	158.582401	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+ACN+2H"	43.041102
"195801"	593.21856	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+2Na-H"	44.97116
"635361"	867.34226	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+2Na-H"	44.97116
"1136683"	319.09486	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2Na-H"	44.97116
"175603"	297.112918	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+2Na"	45.978436
"627451"	434.174768	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+2Na"	45.978436
"1127433"	160.051068	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2Na"	45.978436
"1410224"	107.036470666667	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H+2Na"	46.985712
"1442335"	321.136446	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H+HCOOH"	47.012746
"229117"	302.14594	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+3H2O+2H"	56.04448
"1513169"	335.18849	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+IsoProp+H"	61.06479
"415771"	305.099888	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+Na+K"	61.952376
"777136"	442.161738	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+Na+K"	61.952376
"1673465"	168.038038	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Na+K"	61.952376
"264365"	612.263168	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+ACN+Na"	64.015768
"1239260"	338.139468	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+ACN+Na"	64.015768
"1723771"	338.162993	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+NH4+HCOOH"	64.039293
"1190597"	114.363784666667	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+3Na"	68.967654
"1665230"	343.118388	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Na+HCOOH"	68.994688
"170271"	625.16644	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+2K-H"	76.91904
"610923"	899.29014	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+2K-H"	76.91904
"1096161"	351.04274	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2K-H"	76.91904
"154064"	313.086858	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"2M+2K"	77.926316
"591799"	450.148708	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"3M+2K"	77.926316
"1076312"	176.025008	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2K"	77.926316
"1106240"	353.057292	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2K+H"	78.933592
"1345551"	353.144907	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+DMSO+H"	79.021207
"1016266"	357.184076	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2ACN+H"	83.060376
"1538289"	358.177708	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+IsoProp+Na+H"	84.054008
"1005617"	179.095676	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+2ACN+2H"	84.067652
"1602484"	359.092328	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+K+HCOOH"	84.968628
"1429839"	389.123838	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+H+CF3COOH"	115.000138
"1161748"	199.608951	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+3ACN+2H"	125.094202
"1711057"	406.150385	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+NH4+CF3COOH"	132.026685
"1648889"	411.10578	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+Na+CF3COOH"	136.98208
"1579070"	427.07972	"C06946"	"Dexchlorpheniramine"	"C16H19ClN2"	"274.1237"	"M+K+CF3COOH"	152.95602
"814908"	271.1936	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M"	0
"988440"	252.17521	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-H2O-H"	-19.01839
"69028"	179.788457333333	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M-3H"	-3.021828
"509680"	270.186324	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M-3H"	-3.021828
"884200"	89.3905906666667	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-3H"	-3.021828
"10431"	270.186324	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M-2H"	-2.014552
"447803"	405.783124	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M-2H"	-2.014552
"824512"	134.589524	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-2H"	-2.014552
"86693"	541.379924	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M-H"	-1.007276
"530634"	812.573524	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M-H"	-1.007276
"906977"	270.186324	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-H"	-1.007276
"59166"	558.406471	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M-2H+NH4"	16.019271
"499455"	829.600071	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M-2H+NH4"	16.019271
"875796"	287.212871	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-2H+NH4"	16.019271
"44791"	563.361866	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M-2H+Na"	20.974666
"479977"	834.555466	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M-2H+Na"	20.974666
"854498"	292.168266	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-2H+Na"	20.974666
"1625125"	292.168266	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Na-2H"	20.974666
"101653"	288.174663	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M-H+Cl"	33.962126
"536839"	423.771463	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M-H+Cl"	33.962126
"927474"	152.577863	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-H+Cl"	33.962126
"267361"	577.356602	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+Cl"	34.969402
"660078"	848.550202	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+Cl"	34.969402
"1273075"	306.163002	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Cl"	34.969402
"16077"	579.335806	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M-2H+K"	36.948606
"455890"	850.529406	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M-2H+K"	36.948606
"833167"	308.142206	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-2H+K"	36.948606
"1561157"	308.142206	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+K-2H"	36.948606
"953782"	316.191794	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-H+HCOOH"	44.998194
"369809"	587.385401	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+HCOOH-H"	44.998201
"354789"	601.401051	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+Hac-H"	59.013851
"1498151"	330.207451	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Hac-H"	59.013851
"966790"	338.173751	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-H+NaCOOH"	66.980151
"117519"	306.163002	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+2Cl"	69.938804
"555619"	441.759802	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+2Cl"	69.938804
"1021861"	170.566202	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2Cl"	69.938804
"1242288"	350.112485	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Br"	78.918885
"1304736"	352.168472	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Cl+HCOOH"	80.974872
"1321018"	374.150429	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Cl+NaCOOH"	102.956829
"912560"	384.179186	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M-H+CF3COOH"	112.985586
"1294628"	420.155864	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Cl+CF3COOH"	148.962264
"1372791"	236.180924	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H-2H2O"	-35.012676
"1388100"	254.1909	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H-H2O"	-17.0027
"288879"	543.394476	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+H"	1.007276
"679113"	814.588076	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+H"	1.007276
"1353274"	272.200876	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H"	1.007276
"128353"	272.200876	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+2H"	2.014552
"567180"	407.797676	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+2H"	2.014552
"1038529"	136.604076	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2H"	2.014552
"206432"	181.803009333333	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+3H"	3.021828
"645992"	272.200876	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+3H"	3.021828
"1165580"	91.4051426666667	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+3H"	3.021828
"425204"	560.421023	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+NH4"	18.033823
"792039"	831.614623	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+NH4"	18.033823
"1681928"	289.227423	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+NH4"	18.033823
"330811"	280.7141495	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+H+NH4"	19.041099
"725054"	416.3109495	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+H+NH4"	19.041099
"1479605"	145.1173495	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H+NH4"	19.041099
"393910"	565.376418	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+Na"	22.989218
"754498"	836.570018	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+Na"	22.989218
"1606281"	294.182818	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Na"	22.989218
"315956"	283.191847	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+H+Na"	23.996494
"722378"	418.788647	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+H+Na"	23.996494
"1471327"	147.595047	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H+Na"	23.996494
"1066400"	98.7324566666667	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2H+Na"	25.00377
"1271727"	304.227086	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+CH3OH+H"	33.033486
"389936"	581.350358	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+K"	38.963158
"748012"	852.543958	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+K"	38.963158
"1543501"	310.156758	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+K"	38.963158
"299217"	291.178817	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+H+K"	39.970434
"692364"	426.775617	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+H+K"	39.970434
"1449100"	155.582017	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H+K"	39.970434
"240980"	584.421026	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+ACN+H"	42.033826
"1215875"	313.227426	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+ACN+H"	42.033826
"1199758"	157.117351	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+ACN+2H"	43.041102
"190445"	587.35836	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+2Na-H"	44.97116
"632191"	858.55196	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+2Na-H"	44.97116
"1135698"	316.16476	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2Na-H"	44.97116
"177900"	294.182818	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+2Na"	45.978436
"628362"	429.779618	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+2Na"	45.978436
"1129363"	158.586018	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2Na"	45.978436
"1412520"	106.059770666667	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H+2Na"	46.985712
"1443174"	318.206346	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H+HCOOH"	47.012746
"226311"	299.21584	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+3H2O+2H"	56.04448
"1513278"	332.25839	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+IsoProp+H"	61.06479
"417339"	302.169788	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+Na+K"	61.952376
"778338"	437.766588	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+Na+K"	61.952376
"1673574"	166.572988	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Na+K"	61.952376
"265204"	606.402968	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+ACN+Na"	64.015768
"1239370"	335.209368	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+ACN+Na"	64.015768
"1723881"	335.232893	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+NH4+HCOOH"	64.039293
"1191071"	113.387084666667	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+3Na"	68.967654
"1662419"	340.188288	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Na+HCOOH"	68.994688
"169647"	619.30624	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+2K-H"	76.91904
"609573"	890.49984	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+2K-H"	76.91904
"1097721"	348.11264	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2K-H"	76.91904
"154537"	310.156758	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"2M+2K"	77.926316
"591910"	445.753558	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"3M+2K"	77.926316
"1074235"	174.559958	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2K"	77.926316
"1104163"	350.127192	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2K+H"	78.933592
"1347482"	350.214807	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+DMSO+H"	79.021207
"1016740"	354.253976	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2ACN+H"	83.060376
"1538400"	355.247608	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+IsoProp+Na+H"	84.054008
"1005335"	177.630626	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+2ACN+2H"	84.067652
"1601659"	356.162228	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+K+HCOOH"	84.968628
"1429859"	386.193738	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+H+CF3COOH"	115.000138
"1160158"	198.143901	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+3ACN+2H"	125.094202
"1711168"	403.220285	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+NH4+CF3COOH"	132.026685
"1649570"	408.17568	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+Na+CF3COOH"	136.98208
"1579180"	424.14962	"C06947"	"Dextromethorphan"	"C18H25NO"	"271.1936"	"M+K+CF3COOH"	152.95602
"816439"	284.0716	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M"	0
"989240"	265.05321	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-H2O-H"	-19.01839
"68042"	188.373790666667	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M-3H"	-3.021828
"508696"	283.064324	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M-3H"	-3.021828
"884314"	93.6832573333333	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-3H"	-3.021828
"6169"	283.064324	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M-2H"	-2.014552
"449010"	425.100124	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M-2H"	-2.014552
"826812"	141.028524	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-2H"	-2.014552
"87896"	567.135924	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M-H"	-1.007276
"531837"	851.207524	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M-H"	-1.007276
"907084"	283.064324	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-H"	-1.007276
"60733"	584.162471	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M-2H+NH4"	16.019271
"499929"	868.234071	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M-2H+NH4"	16.019271
"876271"	300.090871	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-2H+NH4"	16.019271
"39432"	589.117866	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M-2H+Na"	20.974666
"482275"	873.189466	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M-2H+Na"	20.974666
"855701"	305.046266	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-2H+Na"	20.974666
"1625235"	305.046266	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Na-2H"	20.974666
"101763"	301.052663	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M-H+Cl"	33.962126
"536949"	443.088463	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M-H+Cl"	33.962126
"927463"	159.016863	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-H+Cl"	33.962126
"267598"	603.112602	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+Cl"	34.969402
"660830"	887.184202	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+Cl"	34.969402
"1272947"	319.041002	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Cl"	34.969402
"16111"	605.091806	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M-2H+K"	36.948606
"456481"	889.163406	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M-2H+K"	36.948606
"833762"	321.020206	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-2H+K"	36.948606
"1560903"	321.020206	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+K-2H"	36.948606
"943681"	329.069794	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-H+HCOOH"	44.998194
"369919"	613.141401	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+HCOOH-H"	44.998201
"355992"	627.157051	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+Hac-H"	59.013851
"1497169"	343.085451	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Hac-H"	59.013851
"967993"	351.051751	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-H+NaCOOH"	66.980151
"117993"	319.041002	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+2Cl"	69.938804
"554637"	461.076802	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+2Cl"	69.938804
"1021973"	177.005202	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2Cl"	69.938804
"1243007"	362.990485	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Br"	78.918885
"1306185"	365.046472	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Cl+HCOOH"	80.974872
"1321858"	387.028429	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Cl+NaCOOH"	102.956829
"915103"	397.057186	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M-H+CF3COOH"	112.985586
"1292551"	433.033864	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Cl+CF3COOH"	148.962264
"1371808"	249.058924	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H-2H2O"	-35.012676
"1387117"	267.0689	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H-H2O"	-17.0027
"286802"	569.150476	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+H"	1.007276
"679223"	853.222076	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+H"	1.007276
"1354479"	285.078876	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H"	1.007276
"126398"	285.078876	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+2H"	2.014552
"568021"	427.114676	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+2H"	2.014552
"1040097"	143.043076	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2H"	2.014552
"209094"	190.388342666667	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+3H"	3.021828
"646469"	285.078876	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+3H"	3.021828
"1163625"	95.6978093333333	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+3H"	3.021828
"426774"	586.177023	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+NH4"	18.033823
"786680"	870.248623	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+NH4"	18.033823
"1681917"	302.105423	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+NH4"	18.033823
"330921"	293.5921495	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+H+NH4"	19.041099
"724070"	435.6279495	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+H+NH4"	19.041099
"1479715"	151.5563495	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H+NH4"	19.041099
"395478"	591.132418	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+Na"	22.989218
"756110"	875.204018	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+Na"	22.989218
"1606392"	307.060818	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Na"	22.989218
"317525"	296.069847	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+H+Na"	23.996494
"721748"	438.105647	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+H+Na"	23.996494
"1473623"	154.034047	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H+Na"	23.996494
"1063600"	103.025123333333	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2H+Na"	25.00377
"1270380"	317.105086	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+CH3OH+H"	33.033486
"390409"	607.106358	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+K"	38.963158
"748122"	891.177958	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+K"	38.963158
"1549080"	323.034758	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+K"	38.963158
"307347"	304.056817	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+H+K"	39.970434
"692842"	446.092617	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+H+K"	39.970434
"1447023"	162.021017	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H+K"	39.970434
"241089"	610.177026	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+ACN+H"	42.033826
"1215987"	326.105426	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+ACN+H"	42.033826
"1200961"	163.556351	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+ACN+2H"	43.041102
"192011"	613.11436	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+2Na-H"	44.97116
"632300"	897.18596	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+2Na-H"	44.97116
"1134717"	329.04276	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2Na-H"	44.97116
"175945"	307.060818	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+2Na"	45.978436
"628482"	449.096618	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+2Na"	45.978436
"1128377"	165.025018	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2Na"	45.978436
"1410807"	110.352437333333	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H+2Na"	46.985712
"1442921"	331.084346	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H+HCOOH"	47.012746
"226421"	312.09384	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+3H2O+2H"	56.04448
"1514481"	345.13639	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+IsoProp+H"	61.06479
"416356"	315.047788	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+Na+K"	61.952376
"778448"	457.083588	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+Na+K"	61.952376
"1673685"	173.011988	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Na+K"	61.952376
"255830"	632.158968	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+ACN+Na"	64.015768
"1239977"	348.087368	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+ACN+Na"	64.015768
"1726187"	348.110893	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+NH4+HCOOH"	64.039293
"1191545"	117.679751333333	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+3Na"	68.967654
"1663987"	353.066288	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Na+HCOOH"	68.994688
"171214"	645.06224	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+2K-H"	76.91904
"611866"	929.13384	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+2K-H"	76.91904
"1097710"	360.99064	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2K-H"	76.91904
"151365"	323.034758	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"2M+2K"	77.926316
"585456"	465.070558	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"3M+2K"	77.926316
"1073252"	180.998958	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2K"	77.926316
"1103180"	363.005192	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2K+H"	78.933592
"1346134"	363.092807	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+DMSO+H"	79.021207
"1014658"	367.131976	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2ACN+H"	83.060376
"1538265"	368.125608	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+IsoProp+Na+H"	84.054008
"1003987"	184.069626	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+2ACN+2H"	84.067652
"1601769"	369.040228	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+K+HCOOH"	84.968628
"1428889"	399.071738	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+H+CF3COOH"	115.000138
"1161726"	204.582901	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+3ACN+2H"	125.094202
"1711642"	416.098285	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+NH4+CF3COOH"	132.026685
"1649638"	421.05368	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+Na+CF3COOH"	136.98208
"1579290"	437.02762	"C06948"	"Diazepam"	"C16H13ClN2O"	"284.0716"	"M+K+CF3COOH"	152.95602
"809658"	229.9917	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M"	0
"985380"	210.97331	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-H2O-H"	-19.01839
"63020"	152.320524	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M-3H"	-3.021828
"504434"	228.984424	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M-3H"	-3.021828
"884424"	75.656624	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-3H"	-3.021828
"6279"	228.984424	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M-2H"	-2.014552
"449120"	343.980274	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M-2H"	-2.014552
"825829"	113.988574	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-2H"	-2.014552
"86913"	458.976124	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M-H"	-1.007276
"531582"	688.967824	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M-H"	-1.007276
"906830"	228.984424	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-H"	-1.007276
"60843"	476.002671	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M-2H+NH4"	16.019271
"498945"	705.994371	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M-2H+NH4"	16.019271
"875652"	246.010971	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-2H+NH4"	16.019271
"31640"	480.958066	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M-2H+Na"	20.974666
"481292"	710.949766	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M-2H+Na"	20.974666
"852531"	250.966366	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-2H+Na"	20.974666
"1619026"	250.966366	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Na-2H"	20.974666
"98593"	246.972763	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M-H+Cl"	33.962126
"534254"	361.968613	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M-H+Cl"	33.962126
"927162"	131.976913	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-H+Cl"	33.962126
"267178"	494.952802	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+Cl"	34.969402
"660331"	724.944502	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+Cl"	34.969402
"1272934"	264.961102	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Cl"	34.969402
"15895"	496.932006	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M-2H+K"	36.948606
"456020"	726.923706	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M-2H+K"	36.948606
"833005"	266.940306	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-2H+K"	36.948606
"1556267"	266.940306	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+K-2H"	36.948606
"942978"	274.989894	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-H+HCOOH"	44.998194
"366749"	504.981601	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+HCOOH-H"	44.998201
"356102"	518.997251	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+Hac-H"	59.013851
"1497279"	289.005551	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Hac-H"	59.013851
"968103"	296.971851	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-H+NaCOOH"	66.980151
"119197"	264.961102	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+2Cl"	69.938804
"556570"	379.956952	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+2Cl"	69.938804
"1021407"	149.965252	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2Cl"	69.938804
"1242390"	308.910585	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Br"	78.918885
"1304553"	310.966572	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Cl+HCOOH"	80.974872
"1321606"	332.948529	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Cl+NaCOOH"	102.956829
"914122"	342.977286	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M-H+CF3COOH"	112.985586
"1291568"	378.953964	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Cl+CF3COOH"	148.962264
"1371918"	194.979024	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H-2H2O"	-35.012676
"1387227"	212.989	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H-H2O"	-17.0027
"286912"	460.990676	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+H"	1.007276
"679333"	690.982376	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+H"	1.007276
"1354589"	230.998976	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H"	1.007276
"129667"	230.998976	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+2H"	2.014552
"568495"	345.994826	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+2H"	2.014552
"1039114"	116.003126	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2H"	2.014552
"207017"	154.335076	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+3H"	3.021828
"646579"	230.998976	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+3H"	3.021828
"1170174"	77.671176	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+3H"	3.021828
"426885"	478.017223	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+NH4"	18.033823
"786181"	708.008923	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+NH4"	18.033823
"1682148"	248.025523	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+NH4"	18.033823
"332124"	239.5122495	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+H+NH4"	19.041099
"726367"	354.5080995	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+H+NH4"	19.041099
"1480918"	124.5163995	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H+NH4"	19.041099
"398503"	482.972618	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+Na"	22.989218
"756220"	712.964318	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+Na"	22.989218
"1608688"	252.980918	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Na"	22.989218
"316542"	241.989947	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+H+Na"	23.996494
"722471"	356.985797	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+H+Na"	23.996494
"1472639"	126.994097	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H+Na"	23.996494
"1064801"	84.99849	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2H+Na"	25.00377
"1271946"	263.025186	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+CH3OH+H"	33.033486
"391611"	498.946558	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+K"	38.963158
"748232"	728.938258	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+K"	38.963158
"1548097"	268.954858	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+K"	38.963158
"305271"	249.976917	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+H+K"	39.970434
"692225"	364.972767	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+H+K"	39.970434
"1445726"	134.981067	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H+K"	39.970434
"238284"	502.017226	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+ACN+H"	42.033826
"1213908"	272.025526	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+ACN+H"	42.033826
"1198883"	136.516401	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+ACN+2H"	43.041102
"193211"	504.95456	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+2Na-H"	44.97116
"631315"	734.94626	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+2Na-H"	44.97116
"1132879"	274.96286	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2Na-H"	44.97116
"173861"	252.980918	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+2Na"	45.978436
"626801"	367.976768	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+2Na"	45.978436
"1127755"	137.985068	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2Na"	45.978436
"1413106"	92.325804	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H+2Na"	46.985712
"1443395"	277.004446	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H+HCOOH"	47.012746
"227624"	258.01394	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+3H2O+2H"	56.04448
"1514591"	291.05649	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+IsoProp+H"	61.06479
"415372"	260.967888	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+Na+K"	61.952376
"775278"	375.963738	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+Na+K"	61.952376
"1671608"	145.972038	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Na+K"	61.952376
"253024"	523.999168	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+ACN+Na"	64.015768
"1231924"	294.007468	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+ACN+Na"	64.015768
"1726661"	294.030993	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+NH4+HCOOH"	64.039293
"1193468"	99.653118	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+3Na"	68.967654
"1664705"	298.986388	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Na+HCOOH"	68.994688
"171323"	536.90244	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+2K-H"	76.91904
"610516"	766.89414	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+2K-H"	76.91904
"1097456"	306.91074	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2K-H"	76.91904
"150382"	268.954858	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"2M+2K"	77.926316
"583380"	383.950708	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"3M+2K"	77.926316
"1073362"	153.959008	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2K"	77.926316
"1103290"	308.925292	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2K+H"	78.933592
"1348426"	309.012907	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+DMSO+H"	79.021207
"1013675"	313.052076	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2ACN+H"	83.060376
"1538009"	314.045708	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+IsoProp+Na+H"	84.054008
"1003733"	157.029676	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+2ACN+2H"	84.067652
"1600785"	314.960328	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+K+HCOOH"	84.968628
"1428270"	344.991838	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+H+CF3COOH"	115.000138
"1160014"	177.542951	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+3ACN+2H"	125.094202
"1710659"	362.018385	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+NH4+CF3COOH"	132.026685
"1648855"	366.97378	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+Na+CF3COOH"	136.98208
"1579400"	382.94772	"C06949"	"Diazoxide"	"C8H7ClN2O2S"	"229.9917"	"M+K+CF3COOH"	152.95602
"809768"	469.0266	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M"	0
"980023"	450.00821	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-H2O-H"	-19.01839
"63887"	311.677124	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M-3H"	-3.021828
"504544"	468.019324	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M-3H"	-3.021828
"885627"	155.334924	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-3H"	-3.021828
"6389"	468.019324	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M-2H"	-2.014552
"450323"	702.532624	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M-2H"	-2.014552
"825939"	233.506024	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-2H"	-2.014552
"88116"	937.045924	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M-H"	-1.007276
"532057"	1406.072524	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M-H"	-1.007276
"906940"	468.019324	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-H"	-1.007276
"61078"	954.072471	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M-2H+NH4"	16.019271
"500759"	1423.099071	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M-2H+NH4"	16.019271
"876855"	485.045871	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-2H+NH4"	16.019271
"35276"	959.027866	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M-2H+Na"	20.974666
"483588"	1428.054466	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M-2H+Na"	20.974666
"852641"	490.001266	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-2H+Na"	20.974666
"1619258"	490.001266	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Na-2H"	20.974666
"94689"	486.007663	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M-H+Cl"	33.962126
"536077"	720.520963	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M-H+Cl"	33.962126
"927764"	251.494363	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-H+Cl"	33.962126
"268388"	973.022602	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+Cl"	34.969402
"661172"	1442.049202	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+Cl"	34.969402
"1274062"	503.996002	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Cl"	34.969402
"17713"	975.001806	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M-2H+K"	36.948606
"456301"	1444.028406	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M-2H+K"	36.948606
"832966"	505.975206	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-2H+K"	36.948606
"1556378"	505.975206	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+K-2H"	36.948606
"944993"	514.024794	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-H+HCOOH"	44.998194
"363211"	983.051401	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+HCOOH-H"	44.998201
"347459"	997.067051	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+Hac-H"	59.013851
"1502857"	528.040451	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Hac-H"	59.013851
"968211"	536.006751	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-H+NaCOOH"	66.980151
"114934"	503.996002	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+2Cl"	69.938804
"555587"	738.509302	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+2Cl"	69.938804
"1022195"	269.482702	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2Cl"	69.938804
"1242137"	547.945485	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Br"	78.918885
"1306041"	550.001472	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Cl+HCOOH"	80.974872
"1322080"	571.983429	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Cl+NaCOOH"	102.956829
"914232"	582.012186	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M-H+CF3COOH"	112.985586
"1290585"	617.988864	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Cl+CF3COOH"	148.962264
"1372028"	434.013924	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H-2H2O"	-35.012676
"1388430"	452.0239	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H-H2O"	-17.0027
"285929"	939.060476	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+H"	1.007276
"681630"	1408.087076	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+H"	1.007276
"1353237"	470.033876	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H"	1.007276
"127588"	470.033876	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+2H"	2.014552
"566662"	704.547176	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+2H"	2.014552
"1040319"	235.520576	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2H"	2.014552
"209315"	313.691676	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+3H"	3.021828
"651064"	470.033876	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+3H"	3.021828
"1170285"	157.349476	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+3H"	3.021828
"426996"	956.087023	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+NH4"	18.033823
"786412"	1425.113623	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+NH4"	18.033823
"1684320"	487.060423	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+NH4"	18.033823
"333688"	478.5471495	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+H+NH4"	19.041099
"726113"	713.0604495	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+H+NH4"	19.041099
"1481028"	244.0338495	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H+NH4"	19.041099
"396431"	961.042418	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+Na"	22.989218
"755844"	1430.069018	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+Na"	22.989218
"1605884"	492.015818	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Na"	22.989218
"318836"	481.024847	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+H+Na"	23.996494
"721612"	715.538147	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+H+Na"	23.996494
"1474935"	246.511547	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H+Na"	23.996494
"1065641"	164.67679	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2H+Na"	25.00377
"1271450"	502.060086	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+CH3OH+H"	33.033486
"388440"	977.016358	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+K"	38.963158
"748342"	1446.042958	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+K"	38.963158
"1550395"	507.989758	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+K"	38.963158
"308662"	489.011817	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+H+K"	39.970434
"693429"	723.525117	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+H+K"	39.970434
"1446518"	254.498517	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H+K"	39.970434
"238031"	980.087026	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+ACN+H"	42.033826
"1214018"	511.060426	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+ACN+H"	42.033826
"1197902"	256.033851	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+ACN+2H"	43.041102
"191868"	983.02436	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+2Na-H"	44.97116
"631427"	1452.05096	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+2Na-H"	44.97116
"1132750"	513.99776	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2Na-H"	44.97116
"174096"	492.015818	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+2Na"	45.978436
"626185"	726.529118	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+2Na"	45.978436
"1127499"	257.502518	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2Na"	45.978436
"1407014"	172.004104	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H+2Na"	46.985712
"1443386"	516.039346	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H+HCOOH"	47.012746
"229922"	497.04884	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+3H2O+2H"	56.04448
"1520170"	530.09139	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+IsoProp+H"	61.06479
"416576"	500.002788	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+Na+K"	61.952376
"776481"	734.516088	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+Na+K"	61.952376
"1671718"	265.489488	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Na+K"	61.952376
"257142"	1002.068968	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+ACN+Na"	64.015768
"1228757"	533.042368	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+ACN+Na"	64.015768
"1727500"	533.065893	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+NH4+HCOOH"	64.039293
"1191030"	179.331418	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+3Na"	68.967654
"1663481"	538.021288	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Na+HCOOH"	68.994688
"169612"	1014.97224	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+2K-H"	76.91904
"611358"	1483.99884	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+2K-H"	76.91904
"1095501"	545.94564	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2K-H"	76.91904
"154505"	507.989758	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"2M+2K"	77.926316
"588958"	742.503058	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"3M+2K"	77.926316
"1073472"	273.476458	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2K"	77.926316
"1103400"	547.960192	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2K+H"	78.933592
"1336504"	548.047807	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+DMSO+H"	79.021207
"1013785"	552.086976	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2ACN+H"	83.060376
"1529722"	553.080608	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+IsoProp+Na+H"	84.054008
"1003843"	276.547126	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+2ACN+2H"	84.067652
"1602353"	553.995228	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+K+HCOOH"	84.968628
"1428015"	584.026738	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+H+CF3COOH"	115.000138
"1159760"	297.060401	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+3ACN+2H"	125.094202
"1709310"	601.053285	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+NH4+CF3COOH"	132.026685
"1647874"	606.00868	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+Na+CF3COOH"	136.98208
"1582791"	621.98262	"C06950"	"Dicloxacillin"	"C19H17Cl2N3O5S"	"469.0266"	"M+K+CF3COOH"	152.95602
"809878"	309.2668	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M"	0
"985600"	290.24841	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-H2O-H"	-19.01839
"66188"	205.170590666667	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M-3H"	-3.021828
"507935"	308.259524	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M-3H"	-3.021828
"887924"	102.081657333333	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-3H"	-3.021828
"10875"	308.259524	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M-2H"	-2.014552
"450435"	462.892924	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M-2H"	-2.014552
"826049"	153.626124	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-2H"	-2.014552
"84946"	617.526324	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M-H"	-1.007276
"533259"	926.793124	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M-H"	-1.007276
"906321"	308.259524	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-H"	-1.007276
"61064"	634.552871	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M-2H+NH4"	16.019271
"500988"	943.819671	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M-2H+NH4"	16.019271
"875143"	325.286071	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-2H+NH4"	16.019271
"34293"	639.508266	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M-2H+Na"	20.974666
"478230"	948.775066	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M-2H+Na"	20.974666
"849712"	330.241466	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-2H+Na"	20.974666
"1619004"	330.241466	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Na-2H"	20.974666
"95651"	326.247863	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M-H+Cl"	33.962126
"536187"	480.881263	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M-H+Cl"	33.962126
"927995"	171.614463	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-H+Cl"	33.962126
"268378"	653.503002	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+Cl"	34.969402
"662494"	962.769802	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+Cl"	34.969402
"1274416"	344.236202	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Cl"	34.969402
"16162"	655.482206	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M-2H+K"	36.948606
"456899"	964.749006	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M-2H+K"	36.948606
"834095"	346.215406	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-2H+K"	36.948606
"1557219"	346.215406	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+K-2H"	36.948606
"943645"	354.264994	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-H+HCOOH"	44.998194
"363320"	663.531801	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+HCOOH-H"	44.998201
"351945"	677.547451	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+Hac-H"	59.013851
"1500780"	368.280651	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Hac-H"	59.013851
"967227"	376.246951	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-H+NaCOOH"	66.980151
"117229"	344.236202	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+2Cl"	69.938804
"555331"	498.869602	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+2Cl"	69.938804
"1028139"	189.602802	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2Cl"	69.938804
"1246988"	388.185685	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Br"	78.918885
"1305423"	390.241672	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Cl+HCOOH"	80.974872
"1321462"	412.223629	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Cl+NaCOOH"	102.956829
"913614"	422.252386	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M-H+CF3COOH"	112.985586
"1291058"	458.229064	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Cl+CF3COOH"	148.962264
"1369949"	274.254124	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H-2H2O"	-35.012676
"1386352"	292.2641	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H-H2O"	-17.0027
"286767"	619.540876	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+H"	1.007276
"681740"	928.807676	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+H"	1.007276
"1353349"	310.274076	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H"	1.007276
"128790"	310.274076	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+2H"	2.014552
"567623"	464.907476	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+2H"	2.014552
"1041523"	155.640676	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2H"	2.014552
"211612"	207.185142666667	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+3H"	3.021828
"656642"	310.274076	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+3H"	3.021828
"1170395"	104.096209333333	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+3H"	3.021828
"431481"	636.567423	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+NH4"	18.033823
"786280"	945.834223	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+NH4"	18.033823
"1685524"	327.300623	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+NH4"	18.033823
"331976"	318.7873495	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+H+NH4"	19.041099
"726587"	473.4207495	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+H+NH4"	19.041099
"1479680"	164.1539495	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H+NH4"	19.041099
"396541"	641.522818	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+Na"	22.989218
"755713"	950.789618	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+Na"	22.989218
"1605266"	332.256018	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Na"	22.989218
"316396"	321.265047	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+H+Na"	23.996494
"722448"	475.898447	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+H+Na"	23.996494
"1475045"	166.631647	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H+Na"	23.996494
"1067208"	111.423523333333	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2H+Na"	25.00377
"1271922"	342.300286	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+CH3OH+H"	33.033486
"392201"	657.496758	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+K"	38.963158
"751733"	966.763558	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+K"	38.963158
"1551598"	348.229958	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+K"	38.963158
"305493"	329.252017	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+H+K"	39.970434
"693903"	483.885417	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+H+K"	39.970434
"1446263"	174.618617	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H+K"	39.970434
"239236"	660.567426	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+ACN+H"	42.033826
"1214130"	351.300626	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+ACN+H"	42.033826
"1197284"	176.153951	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+ACN+2H"	43.041102
"190883"	663.50476	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+2Na-H"	44.97116
"632266"	972.77156	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+2Na-H"	44.97116
"1136140"	354.23796	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2Na-H"	44.97116
"173355"	332.256018	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+2Na"	45.978436
"624469"	486.889418	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+2Na"	45.978436
"1126880"	177.622618	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2Na"	45.978436
"1406031"	118.750837333333	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H+2Na"	46.985712
"1434866"	356.279546	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H+HCOOH"	47.012746
"226752"	337.28904	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+3H2O+2H"	56.04448
"1518823"	370.33159	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+IsoProp+H"	61.06479
"419239"	340.242988	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+Na+K"	61.952376
"778778"	494.876388	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+Na+K"	61.952376
"1671828"	185.609588	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Na+K"	61.952376
"257253"	682.549368	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+ACN+Na"	64.015768
"1231054"	373.282568	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+ACN+Na"	64.015768
"1727490"	373.306093	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+NH4+HCOOH"	64.039293
"1192599"	126.078151333333	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+3Na"	68.967654
"1663470"	378.261488	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Na+HCOOH"	68.994688
"171543"	695.45264	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+2K-H"	76.91904
"611469"	1004.71944	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+2K-H"	76.91904
"1096705"	386.18584	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2K-H"	76.91904
"153156"	348.229958	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"2M+2K"	77.926316
"589068"	502.863358	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"3M+2K"	77.926316
"1076862"	193.596558	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2K"	77.926316
"1102417"	388.200392	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2K+H"	78.933592
"1338801"	388.288007	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+DMSO+H"	79.021207
"1017175"	392.327176	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2ACN+H"	83.060376
"1530926"	393.320808	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+IsoProp+Na+H"	84.054008
"1005046"	196.667226	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+2ACN+2H"	84.067652
"1602546"	394.235428	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+K+HCOOH"	84.968628
"1428489"	424.266938	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+H+CF3COOH"	115.000138
"1160599"	217.180501	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+3ACN+2H"	125.094202
"1711244"	441.293485	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+NH4+CF3COOH"	132.026685
"1649078"	446.24888	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+Na+CF3COOH"	136.98208
"1582901"	462.22282	"C06951"	"Dicyclomine;Dicycloverin"	"C19H35NO2"	"309.2668"	"M+K+CF3COOH"	152.95602
"809988"	252.1157	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M"	0
"976960"	233.09731	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-H2O-H"	-19.01839
"66298"	167.069857333333	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M-3H"	-3.021828
"506952"	251.108424	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M-3H"	-3.021828
"888034"	83.0312906666667	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-3H"	-3.021828
"10621"	251.108424	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M-2H"	-2.014552
"450546"	377.166274	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M-2H"	-2.014552
"825065"	125.050574	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-2H"	-2.014552
"86149"	503.224124	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M-H"	-1.007276
"532522"	755.339824	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M-H"	-1.007276
"906431"	251.108424	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-H"	-1.007276
"58982"	520.250671	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M-2H+NH4"	16.019271
"500006"	772.366371	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M-2H+NH4"	16.019271
"875254"	268.134971	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-2H+NH4"	16.019271
"34524"	525.206066	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M-2H+Na"	20.974666
"478340"	777.321766	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M-2H+Na"	20.974666
"850794"	273.090366	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-2H+Na"	20.974666
"1620325"	273.090366	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Na-2H"	20.974666
"95639"	269.096763	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M-H+Cl"	33.962126
"535562"	395.154613	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M-H+Cl"	33.962126
"928106"	143.038913	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-H+Cl"	33.962126
"269824"	539.200802	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+Cl"	34.969402
"661145"	791.316502	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+Cl"	34.969402
"1274889"	287.085102	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Cl"	34.969402
"16961"	541.180006	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M-2H+K"	36.948606
"457860"	793.295706	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M-2H+K"	36.948606
"833595"	289.064306	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-2H+K"	36.948606
"1559881"	289.064306	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+K-2H"	36.948606
"944121"	297.113894	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-H+HCOOH"	44.998194
"363431"	549.229601	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+HCOOH-H"	44.998201
"349503"	563.245251	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+Hac-H"	59.013851
"1497610"	311.129551	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Hac-H"	59.013851
"965151"	319.095851	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-H+NaCOOH"	66.980151
"116246"	287.085102	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+2Cl"	69.938804
"555807"	413.142952	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+2Cl"	69.938804
"1026792"	161.027252	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2Cl"	69.938804
"1244911"	331.034585	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Br"	78.918885
"1306625"	333.090572	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Cl+HCOOH"	80.974872
"1323395"	355.072529	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Cl+NaCOOH"	102.956829
"914455"	365.101286	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M-H+CF3COOH"	112.985586
"1290439"	401.077964	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Cl+CF3COOH"	148.962264
"1370059"	217.103024	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H-2H2O"	-35.012676
"1387190"	235.113	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H-H2O"	-17.0027
"286877"	505.238676	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+H"	1.007276
"681850"	757.354376	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+H"	1.007276
"1353823"	253.122976	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H"	1.007276
"128900"	253.122976	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+2H"	2.014552
"567733"	379.180826	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+2H"	2.014552
"1042726"	127.065126	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2H"	2.014552
"212815"	169.084409333333	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+3H"	3.021828
"656752"	253.122976	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+3H"	3.021828
"1169412"	85.0458426666667	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+3H"	3.021828
"432684"	522.265223	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+NH4"	18.033823
"786753"	774.380923	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+NH4"	18.033823
"1684904"	270.149523	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+NH4"	18.033823
"333908"	261.6362495	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+H+NH4"	19.041099
"726697"	387.6940995	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+H+NH4"	19.041099
"1477968"	135.5783995	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H+NH4"	19.041099
"396651"	527.220618	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+Na"	22.989218
"755459"	779.336318	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+Na"	22.989218
"1603795"	275.104918	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Na"	22.989218
"316871"	264.113947	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+H+Na"	23.996494
"722555"	390.171797	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+H+Na"	23.996494
"1471876"	138.056097	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H+Na"	23.996494
"1068210"	92.3731566666667	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2H+Na"	25.00377
"1272397"	285.149186	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+CH3OH+H"	33.033486
"391940"	543.194558	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+K"	38.963158
"748561"	795.310258	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+K"	38.963158
"1551708"	291.078858	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+K"	38.963158
"305603"	272.100917	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+H+K"	39.970434
"693649"	398.158767	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+H+K"	39.970434
"1447465"	146.043067	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H+K"	39.970434
"239711"	546.265226	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+ACN+H"	42.033826
"1214240"	294.149526	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+ACN+H"	42.033826
"1197394"	147.578401	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+ACN+2H"	43.041102
"192088"	549.20256	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+2Na-H"	44.97116
"632012"	801.31826	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+2Na-H"	44.97116
"1137344"	297.08686	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2Na-H"	44.97116
"176261"	275.104918	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+2Na"	45.978436
"625672"	401.162768	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+2Na"	45.978436
"1125897"	149.047068	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2Na"	45.978436
"1407234"	99.7004706666667	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H+2Na"	46.985712
"1433882"	299.128446	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H+HCOOH"	47.012746
"225769"	280.13794	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+3H2O+2H"	56.04448
"1516017"	313.18049	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+IsoProp+H"	61.06479
"417890"	283.091888	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+Na+K"	61.952376
"777795"	409.149738	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+Na+K"	61.952376
"1671938"	157.034038	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Na+K"	61.952376
"257363"	568.247168	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+ACN+Na"	64.015768
"1230071"	316.131468	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+ACN+Na"	64.015768
"1727356"	316.154993	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+NH4+HCOOH"	64.039293
"1193073"	107.027784666667	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+3Na"	68.967654
"1662243"	321.110388	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Na+HCOOH"	68.994688
"170198"	581.15044	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+2K-H"	76.91904
"610850"	833.26614	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+2K-H"	76.91904
"1095722"	329.03474	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2K-H"	76.91904
"152901"	291.078858	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"2M+2K"	77.926316
"589178"	417.136708	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"3M+2K"	77.926316
"1069435"	165.021008	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2K"	77.926316
"1102527"	331.049292	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2K+H"	78.933592
"1338911"	331.136907	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+DMSO+H"	79.021207
"1014005"	335.176076	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2ACN+H"	83.060376
"1529943"	336.169708	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+IsoProp+Na+H"	84.054008
"1001865"	168.091676	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+2ACN+2H"	84.067652
"1602453"	337.084328	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+K+HCOOH"	84.968628
"1427506"	367.115838	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+H+CF3COOH"	115.000138
"1161683"	188.604951	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+3ACN+2H"	125.094202
"1711354"	384.142385	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+NH4+CF3COOH"	132.026685
"1649553"	389.09778	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+Na+CF3COOH"	136.98208
"1583011"	405.07172	"C06952"	"Cimetidine"	"C10H16N6S"	"252.1157"	"M+K+CF3COOH"	152.95602
"810098"	236.0909	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M"	0
"977070"	217.07251	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-H2O-H"	-19.01839
"66408"	156.386657333333	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M-3H"	-3.021828
"504873"	235.083624	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M-3H"	-3.021828
"883397"	77.6896906666667	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-3H"	-3.021828
"10001"	235.083624	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M-2H"	-2.014552
"450655"	353.129074	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M-2H"	-2.014552
"824082"	117.038174	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-2H"	-2.014552
"85166"	471.174524	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M-H"	-1.007276
"531656"	707.265424	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M-H"	-1.007276
"903624"	235.083624	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-H"	-1.007276
"55810"	488.201071	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M-2H+NH4"	16.019271
"500480"	724.291971	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M-2H+NH4"	16.019271
"875362"	252.110171	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-2H+NH4"	16.019271
"39982"	493.156466	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M-2H+Na"	20.974666
"482826"	729.247366	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M-2H+Na"	20.974666
"855157"	257.065566	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-2H+Na"	20.974666
"1621410"	257.065566	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Na-2H"	20.974666
"95749"	253.071963	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M-H+Cl"	33.962126
"535065"	371.117413	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M-H+Cl"	33.962126
"927363"	135.026513	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-H+Cl"	33.962126
"269205"	507.151202	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+Cl"	34.969402
"664179"	743.242102	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+Cl"	34.969402
"1275854"	271.060302	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Cl"	34.969402
"21327"	509.130406	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M-2H+K"	36.948606
"457970"	745.221306	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M-2H+K"	36.948606
"836137"	273.039506	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-2H+K"	36.948606
"1564364"	273.039506	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+K-2H"	36.948606
"947879"	281.089094	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-H+HCOOH"	44.998194
"363177"	517.180001	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+HCOOH-H"	44.998201
"347424"	531.195651	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+Hac-H"	59.013851
"1494430"	295.104751	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Hac-H"	59.013851
"961611"	303.071051	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-H+NaCOOH"	66.980151
"117450"	271.060302	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+2Cl"	69.938804
"555916"	389.105752	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+2Cl"	69.938804
"1027997"	153.014852	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2Cl"	69.938804
"1247208"	315.009785	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Br"	78.918885
"1306373"	317.065772	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Cl+HCOOH"	80.974872
"1322048"	339.047729	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Cl+NaCOOH"	102.956829
"913836"	349.076486	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M-H+CF3COOH"	112.985586
"1290549"	385.053164	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Cl+CF3COOH"	148.962264
"1371265"	201.078224	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H-2H2O"	-35.012676
"1384748"	219.0882	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H-H2O"	-17.0027
"288447"	473.189076	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+H"	1.007276
"685241"	709.279976	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+H"	1.007276
"1358308"	237.098176	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H"	1.007276
"127918"	237.098176	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+2H"	2.014552
"569666"	355.143626	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+2H"	2.014552
"1042837"	119.052726	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2H"	2.014552
"211833"	158.401209333333	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+3H"	3.021828
"656863"	237.098176	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+3H"	3.021828
"1170615"	79.7042426666667	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+3H"	3.021828
"428421"	490.215623	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+NH4"	18.033823
"787590"	726.306523	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+NH4"	18.033823
"1683555"	254.124723	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+NH4"	18.033823
"334019"	245.6114495	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+H+NH4"	19.041099
"726806"	363.6568995	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+H+NH4"	19.041099
"1477156"	127.5659995	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H+NH4"	19.041099
"393354"	495.171018	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+Na"	22.989218
"756663"	731.261918	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+Na"	22.989218
"1604150"	259.080118	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Na"	22.989218
"315890"	248.089147	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+H+Na"	23.996494
"718167"	366.134597	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+H+Na"	23.996494
"1468705"	130.043697	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H+Na"	23.996494
"1064875"	87.0315566666667	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2H+Na"	25.00377
"1269105"	269.124386	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+CH3OH+H"	33.033486
"392051"	511.144958	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+K"	38.963158
"748671"	747.235858	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+K"	38.963158
"1553277"	275.054058	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+K"	38.963158
"302434"	256.076117	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+H+K"	39.970434
"693759"	374.121567	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+H+K"	39.970434
"1447577"	138.030667	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H+K"	39.970434
"238728"	514.215626	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+ACN+H"	42.033826
"1212528"	278.124726	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+ACN+H"	42.033826
"1195683"	139.566001	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+ACN+2H"	43.041102
"191106"	517.15296	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+2Na-H"	44.97116
"629938"	753.24386	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+2Na-H"	44.97116
"1139643"	281.06206	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2Na-H"	44.97116
"176371"	259.080118	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+2Na"	45.978436
"618128"	377.125568	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+2Na"	45.978436
"1124913"	141.034668	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2Na"	45.978436
"1406251"	94.3588706666667	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H+2Na"	46.985712
"1435086"	283.103646	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H+HCOOH"	47.012746
"226971"	264.11314	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+3H2O+2H"	56.04448
"1513939"	297.15569	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+IsoProp+H"	61.06479
"411439"	267.067088	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+Na+K"	61.952376
"779730"	385.112538	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+Na+K"	61.952376
"1674237"	149.021638	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Na+K"	61.952376
"255286"	536.197568	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+ACN+Na"	64.015768
"1231273"	300.106668	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+ACN+Na"	64.015768
"1727464"	300.130193	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+NH4+HCOOH"	64.039293
"1193548"	101.686184666667	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+3Na"	68.967654
"1661623"	305.085588	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Na+HCOOH"	68.994688
"170669"	549.10084	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+2K-H"	76.91904
"611685"	785.19174	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+2K-H"	76.91904
"1095103"	313.00994	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2K-H"	76.91904
"152283"	275.054058	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"2M+2K"	77.926316
"589288"	393.099508	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"3M+2K"	77.926316
"1070883"	157.008608	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2K"	77.926316
"1104824"	315.024492	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2K+H"	78.933592
"1337928"	315.112107	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+DMSO+H"	79.021207
"1013022"	319.151276	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2ACN+H"	83.060376
"1530053"	320.144908	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+IsoProp+Na+H"	84.054008
"1000882"	160.079276	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+2ACN+2H"	84.067652
"1602704"	321.059528	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+K+HCOOH"	84.968628
"1428705"	351.091038	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+H+CF3COOH"	115.000138
"1161184"	180.592551	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+3ACN+2H"	125.094202
"1711462"	368.117585	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+NH4+CF3COOH"	132.026685
"1649658"	373.07298	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+Na+CF3COOH"	136.98208
"1583121"	389.04692	"C06953"	"Didanosine"	"C10H12N4O3"	"236.0909"	"M+K+CF3COOH"	152.95602
"806928"	205.1467	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M"	0
"981552"	186.12831	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-H2O-H"	-19.01839
"66518"	135.757190666667	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M-3H"	-3.021828
"507169"	204.139424	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M-3H"	-3.021828
"882050"	67.3749573333333	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-3H"	-3.021828
"10111"	204.139424	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M-2H"	-2.014552
"450401"	306.712774	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M-2H"	-2.014552
"827473"	101.566074	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-2H"	-2.014552
"87463"	409.286124	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M-H"	-1.007276
"529213"	614.432824	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M-H"	-1.007276
"903732"	204.139424	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-H"	-1.007276
"53733"	426.312671	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M-2H+NH4"	16.019271
"500225"	631.459371	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M-2H+NH4"	16.019271
"875472"	221.165971	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-2H+NH4"	16.019271
"32437"	431.268066	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M-2H+Na"	20.974666
"482571"	636.414766	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M-2H+Na"	20.974666
"851988"	226.121366	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-2H+Na"	20.974666
"1618643"	226.121366	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Na-2H"	20.974666
"95129"	222.127763	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M-H+Cl"	33.962126
"535053"	324.701113	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M-H+Cl"	33.962126
"927839"	119.554413	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-H+Cl"	33.962126
"268585"	445.262802	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+Cl"	34.969402
"661373"	650.409502	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+Cl"	34.969402
"1275964"	240.116102	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Cl"	34.969402
"22165"	447.242006	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M-2H+K"	36.948606
"458445"	652.388706	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M-2H+K"	36.948606
"833451"	242.095306	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-2H+K"	36.948606
"1557182"	242.095306	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+K-2H"	36.948606
"946896"	250.144894	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-H+HCOOH"	44.998194
"364014"	455.291601	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+HCOOH-H"	44.998201
"346312"	469.307251	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+Hac-H"	59.013851
"1492836"	264.160551	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Hac-H"	59.013851
"962086"	272.126851	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-H+NaCOOH"	66.980151
"110991"	240.116102	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+2Cl"	69.938804
"559306"	342.689452	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+2Cl"	69.938804
"1029200"	137.542752	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2Cl"	69.938804
"1246590"	284.065585	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Br"	78.918885
"1306118"	286.121572	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Cl+HCOOH"	80.974872
"1321430"	308.103529	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Cl+NaCOOH"	102.956829
"913581"	318.132286	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M-H+CF3COOH"	112.985586
"1289931"	354.108964	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Cl+CF3COOH"	148.962264
"1371375"	170.134024	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H-2H2O"	-35.012676
"1384130"	188.144	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H-H2O"	-17.0027
"285277"	411.300676	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+H"	1.007276
"683164"	616.447376	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+H"	1.007276
"1358418"	206.153976	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H"	1.007276
"129121"	206.153976	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+2H"	2.014552
"569776"	308.727326	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+2H"	2.014552
"1042947"	103.580626	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2H"	2.014552
"210849"	137.771742666667	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+3H"	3.021828
"655879"	206.153976	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+3H"	3.021828
"1171817"	69.3895093333333	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+3H"	3.021828
"428530"	428.327223	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+NH4"	18.033823
"786243"	633.473923	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+NH4"	18.033823
"1681964"	223.180523	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+NH4"	18.033823
"331944"	214.6672495	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+H+NH4"	19.041099
"725459"	317.2405995	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+H+NH4"	19.041099
"1477701"	112.0938995	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H+NH4"	19.041099
"394681"	433.282618	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+Na"	22.989218
"756773"	638.429318	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+Na"	22.989218
"1604869"	228.135918	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Na"	22.989218
"317093"	217.144947	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+H+Na"	23.996494
"720340"	319.718297	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+H+Na"	23.996494
"1474280"	114.571597	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H+Na"	23.996494
"1065349"	76.7168233333333	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2H+Na"	25.00377
"1271402"	238.180186	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+CH3OH+H"	33.033486
"392161"	449.256558	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+K"	38.963158
"749510"	654.403258	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+K"	38.963158
"1554480"	244.109858	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+K"	38.963158
"304730"	225.131917	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+H+K"	39.970434
"693869"	327.705267	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+H+K"	39.970434
"1449873"	122.558567	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H+K"	39.970434
"240660"	452.327226	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+ACN+H"	42.033826
"1211423"	247.180526	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+ACN+H"	42.033826
"1194700"	124.093901	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+ACN+2H"	43.041102
"191216"	455.26456	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+2Na-H"	44.97116
"629318"	660.41126	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+2Na-H"	44.97116
"1140846"	250.11786	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2Na-H"	44.97116
"176481"	228.135918	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+2Na"	45.978436
"621517"	330.709268	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+2Na"	45.978436
"1123929"	125.562568	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2Na"	45.978436
"1410728"	84.0441373333333	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H+2Na"	46.985712
"1436289"	252.159446	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H+HCOOH"	47.012746
"227080"	233.16894	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+3H2O+2H"	56.04448
"1515141"	266.21149	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+IsoProp+H"	61.06479
"414098"	236.122888	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+Na+K"	61.952376
"780569"	338.696238	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+Na+K"	61.952376
"1674347"	133.549538	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Na+K"	61.952376
"255760"	474.309168	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+ACN+Na"	64.015768
"1231383"	269.162468	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+ACN+Na"	64.015768
"1727574"	269.185993	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+NH4+HCOOH"	64.039293
"1192928"	91.3714513333333	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+3Na"	68.967654
"1662826"	274.141388	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Na+HCOOH"	68.994688
"167863"	487.21244	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+2K-H"	76.91904
"609608"	692.35914	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+2K-H"	76.91904
"1095210"	282.06574	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2K-H"	76.91904
"150934"	244.109858	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"2M+2K"	77.926316
"588305"	346.683208	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"3M+2K"	77.926316
"1071355"	141.536508	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2K"	77.926316
"1106027"	284.080292	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2K+H"	78.933592
"1337065"	284.167907	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+DMSO+H"	79.021207
"1014225"	288.207076	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2ACN+H"	83.060376
"1530163"	289.200708	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+IsoProp+Na+H"	84.054008
"1003179"	144.607176	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+2ACN+2H"	84.067652
"1602539"	290.115328	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+K+HCOOH"	84.968628
"1429427"	320.146838	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+H+CF3COOH"	115.000138
"1161294"	165.120451	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+3ACN+2H"	125.094202
"1710843"	337.173385	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+NH4+CF3COOH"	132.026685
"1649813"	342.12878	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+Na+CF3COOH"	136.98208
"1583231"	358.10272	"C06954"	"Diethylpropion;Amfepramone"	"C13H19NO"	"205.1467"	"M+K+CF3COOH"	152.95602
"807038"	764.4347	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M"	0
"976196"	745.41631	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-H2O-H"	-19.01839
"66628"	508.615857333333	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M-3H"	-3.021828
"504364"	763.427424	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M-3H"	-3.021828
"880579"	253.804290666667	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-3H"	-3.021828
"8034"	763.427424	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M-2H"	-2.014552
"450511"	1145.644774	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M-2H"	-2.014552
"825396"	381.210074	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-2H"	-2.014552
"82106"	1527.862124	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M-H"	-1.007276
"523856"	2292.296824	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M-H"	-1.007276
"896793"	763.427424	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-H"	-1.007276
"50563"	1544.888671	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M-2H+NH4"	16.019271
"501063"	2309.323371	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M-2H+NH4"	16.019271
"874489"	780.453971	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-2H+NH4"	16.019271
"32547"	1549.844066	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M-2H+Na"	20.974666
"483774"	2314.278766	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M-2H+Na"	20.974666
"852098"	785.409366	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-2H+Na"	20.974666
"1619443"	785.409366	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Na-2H"	20.974666
"94874"	781.415763	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M-H+Cl"	33.962126
"534634"	1163.633113	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M-H+Cl"	33.962126
"927170"	399.198413	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-H+Cl"	33.962126
"267153"	1563.838802	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+Cl"	34.969402
"661846"	2328.273502	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+Cl"	34.969402
"1275346"	799.404102	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Cl"	34.969402
"21182"	1565.818006	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M-2H+K"	36.948606
"457462"	2330.252706	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M-2H+K"	36.948606
"833356"	801.383306	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-2H+K"	36.948606
"1556564"	801.383306	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+K-2H"	36.948606
"945545"	809.432894	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-H+HCOOH"	44.998194
"361547"	1573.867601	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+HCOOH-H"	44.998201
"345756"	1587.883251	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+Hac-H"	59.013851
"1492985"	823.448551	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Hac-H"	59.013851
"962560"	831.414851	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-H+NaCOOH"	66.980151
"111101"	799.404102	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+2Cl"	69.938804
"557230"	1181.621452	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+2Cl"	69.938804
"1028215"	417.186752	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2Cl"	69.938804
"1246335"	843.353585	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Br"	78.918885
"1307322"	845.409572	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Cl+HCOOH"	80.974872
"1324456"	867.391529	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Cl+NaCOOH"	102.956829
"913326"	877.420286	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M-H+CF3COOH"	112.985586
"1289675"	913.396964	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Cl+CF3COOH"	148.962264
"1368199"	729.422024	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H-2H2O"	-35.012676
"1385695"	747.432	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H-H2O"	-17.0027
"284654"	1529.876676	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+H"	1.007276
"678168"	2294.311376	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+H"	1.007276
"1352695"	765.441976	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H"	1.007276
"127770"	765.441976	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+2H"	2.014552
"568062"	1147.659326	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+2H"	2.014552
"1044151"	383.224626	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2H"	2.014552
"206219"	510.630409333333	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+3H"	3.021828
"650520"	765.441976	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+3H"	3.021828
"1171928"	255.818842666667	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+3H"	3.021828
"431919"	1546.903223	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+NH4"	18.033823
"786105"	2311.337923	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+NH4"	18.033823
"1682067"	782.468523	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+NH4"	18.033823
"330960"	773.9552495	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+H+NH4"	19.041099
"723661"	1156.1725995	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+H+NH4"	19.041099
"1477810"	391.7378995	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H+NH4"	19.041099
"392967"	1551.858618	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+Na"	22.989218
"757247"	2316.293318	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+Na"	22.989218
"1602911"	787.423918	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Na"	22.989218
"315621"	776.432947	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+H+Na"	23.996494
"715104"	1158.650297	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+H+Na"	23.996494
"1470016"	394.215597	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H+Na"	23.996494
"1065459"	263.146156666667	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2H+Na"	25.00377
"1269693"	797.468186	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+CH3OH+H"	33.033486
"391179"	1567.832558	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+K"	38.963158
"749620"	2332.267258	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+K"	38.963158
"1553133"	803.397858	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+K"	38.963158
"304840"	784.419917	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+H+K"	39.970434
"691665"	1166.637267	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+H+K"	39.970434
"1445973"	402.202567	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H+K"	39.970434
"236760"	1570.903226	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+ACN+H"	42.033826
"1212382"	806.468526	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+ACN+H"	42.033826
"1198450"	403.737901	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+ACN+2H"	43.041102
"193873"	1573.84056	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+2Na-H"	44.97116
"634161"	2338.27526	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+2Na-H"	44.97116
"1134753"	809.40586	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2Na-H"	44.97116
"177684"	787.423918	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+2Na"	45.978436
"622715"	1169.641268	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+2Na"	45.978436
"1124037"	405.206568	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2Na"	45.978436
"1406463"	270.473470666667	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H+2Na"	46.985712
"1433480"	811.447446	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H+HCOOH"	47.012746
"223909"	792.45694	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+3H2O+2H"	56.04448
"1511970"	825.49949	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+IsoProp+H"	61.06479
"413842"	795.410888	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+Na+K"	61.952376
"779220"	1177.628238	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+Na+K"	61.952376
"1667165"	413.193538	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Na+K"	61.952376
"254413"	1592.885168	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+ACN+Na"	64.015768
"1230399"	828.450468	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+ACN+Na"	64.015768
"1727968"	828.473993	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+NH4+HCOOH"	64.039293
"1192673"	277.800784666667	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+3Na"	68.967654
"1661842"	833.429388	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Na+HCOOH"	68.994688
"170159"	1605.78844	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+2K-H"	76.91904
"610445"	2370.22314	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+2K-H"	76.91904
"1093131"	841.35374	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2K-H"	76.91904
"149586"	803.397858	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"2M+2K"	77.926316
"585135"	1185.615208	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"3M+2K"	77.926316
"1070736"	421.180508	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2K"	77.926316
"1106137"	843.368292	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2K+H"	78.933592
"1336566"	843.455907	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+DMSO+H"	79.021207
"1014335"	847.495076	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2ACN+H"	83.060376
"1532459"	848.488708	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+IsoProp+Na+H"	84.054008
"1001103"	424.251176	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+2ACN+2H"	84.067652
"1602668"	849.403328	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+K+HCOOH"	84.968628
"1429781"	879.434838	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+H+CF3COOH"	115.000138
"1162497"	444.764451	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+3ACN+2H"	125.094202
"1710953"	896.461385	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+NH4+CF3COOH"	132.026685
"1649717"	901.41678	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+Na+CF3COOH"	136.98208
"1583341"	917.39072	"C06955"	"Digitoxin"	"C41H64O13"	"764.4347"	"M+K+CF3COOH"	152.95602
"807148"	780.4296	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M"	0
"975577"	761.41121	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-H2O-H"	-19.01839
"67102"	519.279124	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M-3H"	-3.021828
"505567"	779.422324	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M-3H"	-3.021828
"884092"	259.135924	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-3H"	-3.021828
"8144"	779.422324	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M-2H"	-2.014552
"448798"	1169.637124	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M-2H"	-2.014552
"825506"	389.207524	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-2H"	-2.014552
"83308"	1559.851924	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M-H"	-1.007276
"522871"	2340.281524	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M-H"	-1.007276
"897391"	779.422324	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-H"	-1.007276
"47986"	1576.878471	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M-2H+NH4"	16.019271
"496434"	2357.308071	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M-2H+NH4"	16.019271
"866944"	796.448871	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-2H+NH4"	16.019271
"32169"	1581.833866	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M-2H+Na"	20.974666
"480967"	2362.263466	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M-2H+Na"	20.974666
"851112"	801.404266	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-2H+Na"	20.974666
"1626113"	801.404266	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Na-2H"	20.974666
"94617"	797.410663	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M-H+Cl"	33.962126
"535639"	1187.625463	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M-H+Cl"	33.962126
"927691"	407.195863	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-H+Cl"	33.962126
"269171"	1595.828602	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+Cl"	34.969402
"663050"	2376.258202	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+Cl"	34.969402
"1279829"	815.399002	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Cl"	34.969402
"21292"	1597.807806	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M-2H+K"	36.948606
"457571"	2378.237406	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M-2H+K"	36.948606
"835373"	817.378206	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-2H+K"	36.948606
"1555671"	817.378206	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+K-2H"	36.948606
"946019"	825.427794	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-H+HCOOH"	44.998194
"361609"	1605.857401	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+HCOOH-H"	44.998201
"347021"	1619.873051	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+Hac-H"	59.013851
"1495853"	839.443451	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Hac-H"	59.013851
"958774"	847.409751	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-H+NaCOOH"	66.980151
"110042"	815.399002	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+2Cl"	69.938804
"550123"	1205.613802	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+2Cl"	69.938804
"1021428"	425.184202	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2Cl"	69.938804
"1241389"	859.348485	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Br"	78.918885
"1304382"	861.404472	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Cl+HCOOH"	80.974872
"1324566"	883.386429	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Cl+NaCOOH"	102.956829
"915258"	893.415186	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M-H+CF3COOH"	112.985586
"1291607"	929.391864	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Cl+CF3COOH"	148.962264
"1368309"	745.416924	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H-2H2O"	-35.012676
"1384347"	763.4269	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H-H2O"	-17.0027
"285128"	1561.866476	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+H"	1.007276
"677184"	2342.296076	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+H"	1.007276
"1353898"	781.436876	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H"	1.007276
"131527"	781.436876	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+2H"	2.014552
"568900"	1171.651676	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+2H"	2.014552
"1042074"	391.222076	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2H"	2.014552
"208151"	521.293676	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+3H"	3.021828
"653910"	781.436876	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+3H"	3.021828
"1170942"	261.150476	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+3H"	3.021828
"432028"	1578.893023	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+NH4"	18.033823
"785766"	2359.322623	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+NH4"	18.033823
"1681408"	798.463423	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+NH4"	18.033823
"330066"	789.9501495	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+H+NH4"	19.041099
"723975"	1180.1649495	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+H+NH4"	19.041099
"1479498"	399.7353495	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H+NH4"	19.041099
"393438"	1583.848418	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+Na"	22.989218
"756993"	2364.278018	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+Na"	22.989218
"1603752"	803.418818	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Na"	22.989218
"315003"	792.427847	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+H+Na"	23.996494
"715212"	1182.642647	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+H+Na"	23.996494
"1469033"	402.213047	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H+Na"	23.996494
"1066907"	268.47779	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2H+Na"	25.00377
"1270895"	813.463086	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+CH3OH+H"	33.033486
"390193"	1599.822358	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+K"	38.963158
"747907"	2380.251958	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+K"	38.963158
"1548868"	819.392758	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+K"	38.963158
"303857"	800.414817	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+H+K"	39.970434
"691980"	1190.629617	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+H+K"	39.970434
"1446567"	410.200017	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H+K"	39.970434
"236626"	1602.893026	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+ACN+H"	42.033826
"1211275"	822.463426	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+ACN+H"	42.033826
"1197467"	411.735351	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+ACN+2H"	43.041102
"193619"	1605.83036	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+2Na-H"	44.97116
"633178"	2386.25996	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+2Na-H"	44.97116
"1134500"	825.40076	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2Na-H"	44.97116
"174508"	803.418818	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+2Na"	45.978436
"625011"	1193.633618	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+2Na"	45.978436
"1121961"	413.204018	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2Na"	45.978436
"1409489"	275.805104	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H+2Na"	46.985712
"1435047"	827.442346	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H+HCOOH"	47.012746
"224019"	808.45184	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+3H2O+2H"	56.04448
"1514266"	841.49439	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+IsoProp+H"	61.06479
"415045"	811.405788	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+Na+K"	61.952376
"778236"	1201.620588	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+Na+K"	61.952376
"1671283"	421.190988	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Na+K"	61.952376
"255616"	1624.874968	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+ACN+Na"	64.015768
"1230873"	844.445368	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+ACN+Na"	64.015768
"1727796"	844.468893	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+NH4+HCOOH"	64.039293
"1190962"	283.132418	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+3Na"	68.967654
"1663045"	849.424288	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Na+HCOOH"	68.994688
"168812"	1637.77824	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+2K-H"	76.91904
"607276"	2418.20784	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+2K-H"	76.91904
"1093241"	857.34864	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2K-H"	76.91904
"145687"	819.392758	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"2M+2K"	77.926316
"584150"	1209.607558	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"3M+2K"	77.926316
"1071939"	429.177958	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2K"	77.926316
"1106242"	859.363192	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2K+H"	78.933592
"1341536"	859.450807	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+DMSO+H"	79.021207
"1012259"	863.489976	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2ACN+H"	83.060376
"1527103"	864.483608	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+IsoProp+Na+H"	84.054008
"996832"	432.248626	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+2ACN+2H"	84.067652
"1602630"	865.398228	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+K+HCOOH"	84.968628
"1429647"	895.429738	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+H+CF3COOH"	115.000138
"1162609"	452.761901	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+3ACN+2H"	125.094202
"1711063"	912.456285	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+NH4+CF3COOH"	132.026685
"1649260"	917.41168	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+Na+CF3COOH"	136.98208
"1583451"	933.38562	"C06956"	"Digoxin"	"C41H64O14"	"780.4296"	"M+K+CF3COOH"	152.95602
"807258"	398.3549	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M"	0
"979696"	379.33651	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"67941"	264.562657333333	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"506406"	397.347624	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"881288"	131.777690666667	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"9347"	397.347624	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"450001"	596.525074	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"825614"	198.170174	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"83418"	795.702524	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"524074"	1194.057424	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"897501"	397.347624	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"49076"	812.729071	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"496908"	1211.083971	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"865961"	414.374171	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"31595"	817.684466	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"474516"	1216.039366	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"849516"	419.329566	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1619778"	419.329566	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"95091"	415.335963	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"534448"	614.513413	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"927437"	216.158513	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"273656"	831.679202	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"662796"	1230.034102	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1279939"	433.324302	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"16295"	833.658406	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"458775"	1232.013306	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"833170"	435.303506	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1557877"	435.303506	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"947953"	443.353094	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"364343"	841.708001	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"346522"	855.723651	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1493653"	457.368751	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"958595"	465.335051	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"112050"	433.324302	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"550056"	632.501752	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1021411"	234.146852	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1241436"	477.273785	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1304371"	479.329772	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1325770"	501.311729	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"917921"	511.340486	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1289531"	547.317164	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1367691"	363.342224	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1384094"	381.3522	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"284875"	797.717076	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"676566"	1196.071976	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1353280"	399.362176	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H"	1.007276
"127262"	399.362176	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"570105"	598.539626	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1042184"	200.184726	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"210084"	266.577209333333	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"655113"	399.362176	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1165585"	133.792242666667	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"434326"	814.743623	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"786084"	1213.098523	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1681442"	416.388723	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"331180"	407.8754495	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"723964"	607.0528995	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1479608"	208.6979995	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"392941"	819.699018	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"757102"	1218.053918	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1604590"	421.344118	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"315966"	410.353147	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"713135"	609.530597	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1469143"	211.175697	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1066414"	141.119556666667	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1270640"	431.388386	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"390672"	835.672958	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"748017"	1234.027858	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1546792"	437.318058	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+K"	38.963158
"302875"	418.340117	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"696387"	617.517567	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1446924"	219.162667	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"236494"	838.743626	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1211632"	440.388726	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1194907"	220.698001	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"193729"	841.68096	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"634383"	1240.03586	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1135703"	443.32606	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"176806"	421.344118	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"621846"	620.521568	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1123892"	222.166668	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1406688"	148.446870666667	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1434794"	445.367646	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"224130"	426.37714	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1514376"	459.41969	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"414062"	429.331088	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"778344"	628.508538	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1670300"	230.153638	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"255723"	860.725568	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1232076"	462.370668	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1714768"	462.394193	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1183768"	155.774184666667	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1660239"	467.349588	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"168556"	873.62884	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"607751"	1271.98374	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1094445"	475.27394	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"145797"	437.318058	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"583168"	636.495508	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1074239"	238.140608	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1105259"	477.288492	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1341646"	477.376107	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1011273"	481.415276	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1527213"	482.408908	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"996942"	241.211276	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1602279"	483.323528	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1429638"	513.355038	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1162682"	261.724551	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1712625"	530.381585	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1649856"	535.33698	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1580280"	551.31092	"C06957"	"Dihydrotachysterol"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"810649"	414.1613	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M"	0
"980903"	395.14291	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-H2O-H"	-19.01839
"70238"	275.100257333333	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M-3H"	-3.021828
"514174"	413.154024	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M-3H"	-3.021828
"891978"	137.046490666667	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-3H"	-3.021828
"9459"	413.154024	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M-2H"	-2.014552
"453760"	620.234674	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M-2H"	-2.014552
"822447"	206.073374	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-2H"	-2.014552
"90094"	827.315324	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M-H"	-1.007276
"530748"	1241.476624	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M-H"	-1.007276
"911106"	413.154024	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-H"	-1.007276
"59281"	844.341871	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M-2H+NH4"	16.019271
"502577"	1258.503171	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M-2H+NH4"	16.019271
"875913"	430.180571	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-2H+NH4"	16.019271
"47109"	849.297266	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M-2H+Na"	20.974666
"479001"	1263.458566	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M-2H+Na"	20.974666
"855708"	435.135966	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-2H+Na"	20.974666
"1625242"	435.135966	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Na-2H"	20.974666
"103958"	431.142363	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M-H+Cl"	33.962126
"544611"	638.223013	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M-H+Cl"	33.962126
"933023"	224.061713	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-H+Cl"	33.962126
"273402"	863.292002	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+Cl"	34.969402
"664001"	1277.453302	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+Cl"	34.969402
"1278955"	449.130702	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Cl"	34.969402
"20419"	865.271206	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M-2H+K"	36.948606
"460344"	1279.432506	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M-2H+K"	36.948606
"837780"	451.109906	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-2H+K"	36.948606
"1557259"	451.109906	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+K-2H"	36.948606
"943438"	459.159494	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-H+HCOOH"	44.998194
"363364"	873.320801	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+HCOOH-H"	44.998201
"350528"	887.336451	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+Hac-H"	59.013851
"1494255"	473.175151	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Hac-H"	59.013851
"960339"	481.141451	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-H+NaCOOH"	66.980151
"116903"	449.130702	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+2Cl"	69.938804
"561934"	656.211352	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+2Cl"	69.938804
"1031461"	242.050052	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2Cl"	69.938804
"1253956"	493.080185	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Br"	78.918885
"1311665"	495.136172	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Cl+HCOOH"	80.974872
"1322600"	517.118129	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Cl+NaCOOH"	102.956829
"913298"	527.146886	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M-H+CF3COOH"	112.985586
"1299121"	563.123564	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Cl+CF3COOH"	148.962264
"1377283"	379.148624	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H-2H2O"	-35.012676
"1395873"	397.1586	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H-H2O"	-17.0027
"294466"	829.329876	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+H"	1.007276
"684699"	1243.491176	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+H"	1.007276
"1358861"	415.168576	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H"	1.007276
"130656"	415.168576	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+2H"	2.014552
"571310"	622.249226	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+2H"	2.014552
"1046670"	208.087926	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2H"	2.014552
"209469"	277.114809333333	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+3H"	3.021828
"645749"	415.168576	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+3H"	3.021828
"1163147"	139.061042666667	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+3H"	3.021828
"426053"	846.356423	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+NH4"	18.033823
"785781"	1260.517723	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+NH4"	18.033823
"1681676"	432.195123	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+NH4"	18.033823
"330682"	423.6818495	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+H+NH4"	19.041099
"724806"	630.7624995	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+H+NH4"	19.041099
"1477114"	216.6011995	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H+NH4"	19.041099
"392973"	851.311818	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+Na"	22.989218
"757209"	1265.473118	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+Na"	22.989218
"1604946"	437.150518	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Na"	22.989218
"315709"	426.159547	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+H+Na"	23.996494
"716525"	633.240197	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+H+Na"	23.996494
"1471436"	219.078897	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H+Na"	23.996494
"1067616"	146.388356666667	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2H+Na"	25.00377
"1272207"	447.194786	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+CH3OH+H"	33.033486
"392523"	867.285758	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+K"	38.963158
"753598"	1281.447058	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+K"	38.963158
"1553463"	453.124458	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+K"	38.963158
"304076"	434.146517	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+H+K"	39.970434
"694308"	641.227167	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+H+K"	39.970434
"1449219"	227.065867	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H+K"	39.970434
"236726"	870.356426	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+ACN+H"	42.033826
"1210240"	456.195126	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+ACN+H"	42.033826
"1194568"	228.601201	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+ACN+2H"	43.041102
"190193"	873.29376	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+2Na-H"	44.97116
"631219"	1287.45506	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+2Na-H"	44.97116
"1136912"	459.13246	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2Na-H"	44.97116
"182395"	437.150518	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+2Na"	45.978436
"620867"	644.231168	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+2Na"	45.978436
"1124373"	230.069868	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2Na"	45.978436
"1408991"	153.715670666667	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H+2Na"	46.985712
"1436733"	461.174046	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H+HCOOH"	47.012746
"229711"	442.18354	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+3H2O+2H"	56.04448
"1518867"	475.22609	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+IsoProp+H"	61.06479
"419645"	445.137488	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+Na+K"	61.952376
"778453"	652.218138	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+Na+K"	61.952376
"1679163"	238.056838	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Na+K"	61.952376
"265806"	892.338368	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+ACN+Na"	64.015768
"1239124"	478.177068	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+ACN+Na"	64.015768
"1725825"	478.200593	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+NH4+HCOOH"	64.039293
"1190816"	161.042984666667	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+3Na"	68.967654
"1659245"	483.155988	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Na+HCOOH"	68.994688
"167571"	905.24164	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+2K-H"	76.91904
"604579"	1319.40294	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+2K-H"	76.91904
"1090183"	491.08034	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2K-H"	76.91904
"150282"	453.124458	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"2M+2K"	77.926316
"590936"	660.205108	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"3M+2K"	77.926316
"1076543"	246.043808	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2K"	77.926316
"1109753"	493.094892	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2K+H"	78.933592
"1342856"	493.182507	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+DMSO+H"	79.021207
"1017590"	497.221676	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2ACN+H"	83.060376
"1538270"	498.215308	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+IsoProp+Na+H"	84.054008
"1000339"	249.114476	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+2ACN+2H"	84.067652
"1602605"	499.129928	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+K+HCOOH"	84.968628
"1428890"	529.161438	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+H+CF3COOH"	115.000138
"1162341"	269.627751	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+3ACN+2H"	125.094202
"1710919"	546.187985	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+NH4+CF3COOH"	132.026685
"1649481"	551.14338	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+Na+CF3COOH"	136.98208
"1580390"	567.11732	"C06958"	"Diltiazem"	"C22H26N2O4S"	"414.1613"	"M+K+CF3COOH"	152.95602
"810759"	255.1623	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M"	0
"977732"	236.14391	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-H2O-H"	-19.01839
"67068"	169.100924	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M-3H"	-3.021828
"514284"	254.155024	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M-3H"	-3.021828
"888808"	84.046824	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-3H"	-3.021828
"9569"	254.155024	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M-2H"	-2.014552
"455167"	381.736174	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M-2H"	-2.014552
"822557"	126.573874	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-2H"	-2.014552
"90204"	509.317324	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M-H"	-1.007276
"530858"	764.479624	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M-H"	-1.007276
"911217"	254.155024	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-H"	-1.007276
"57568"	526.343871	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M-2H+NH4"	16.019271
"502755"	781.506171	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M-2H+NH4"	16.019271
"872743"	271.181571	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-2H+NH4"	16.019271
"46114"	531.299266	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M-2H+Na"	20.974666
"481298"	786.461566	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M-2H+Na"	20.974666
"854725"	276.136966	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-2H+Na"	20.974666
"1623164"	276.136966	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Na-2H"	20.974666
"104068"	272.143363	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M-H+Cl"	33.962126
"543628"	399.724513	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M-H+Cl"	33.962126
"932040"	144.562213	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-H+Cl"	33.962126
"273513"	545.294002	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+Cl"	34.969402
"664840"	800.456302	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+Cl"	34.969402
"1282713"	290.131702	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Cl"	34.969402
"24175"	547.273206	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M-2H+K"	36.948606
"461549"	802.435506	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M-2H+K"	36.948606
"838257"	292.110906	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-2H+K"	36.948606
"1558098"	292.110906	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+K-2H"	36.948606
"943793"	300.160494	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-H+HCOOH"	44.998194
"365660"	555.322801	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+HCOOH-H"	44.998201
"351731"	569.338451	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+Hac-H"	59.013851
"1496189"	314.176151	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Hac-H"	59.013851
"960449"	322.142451	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-H+NaCOOH"	66.980151
"120661"	290.131702	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+2Cl"	69.938804
"562409"	417.712852	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+2Cl"	69.938804
"1032665"	162.550552	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2Cl"	69.938804
"1252609"	334.081185	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Br"	78.918885
"1315057"	336.137172	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Cl+HCOOH"	80.974872
"1321983"	358.119129	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Cl+NaCOOH"	102.956829
"914137"	368.147886	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M-H+CF3COOH"	112.985586
"1299231"	404.124564	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Cl+CF3COOH"	148.962264
"1376300"	220.149624	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H-2H2O"	-35.012676
"1395983"	238.1596	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H-H2O"	-17.0027
"296763"	511.331876	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+H"	1.007276
"684809"	766.494176	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+H"	1.007276
"1361158"	256.169576	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H"	1.007276
"130766"	256.169576	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+2H"	2.014552
"576888"	383.750726	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+2H"	2.014552
"1046780"	128.588426	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2H"	2.014552
"213589"	171.115476	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+3H"	3.021828
"649869"	256.169576	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+3H"	3.021828
"1165808"	86.061376	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+3H"	3.021828
"429079"	528.358423	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+NH4"	18.033823
"786016"	783.520723	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+NH4"	18.033823
"1681703"	273.196123	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+NH4"	18.033823
"331401"	264.6828495	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+H+NH4"	19.041099
"723008"	392.2639995	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+H+NH4"	19.041099
"1477395"	137.1016995	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H+NH4"	19.041099
"393165"	533.313818	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+Na"	22.989218
"755496"	788.476118	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+Na"	22.989218
"1603353"	278.151518	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Na"	22.989218
"315819"	267.160547	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+H+Na"	23.996494
"716632"	394.741697	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+H+Na"	23.996494
"1470452"	139.579397	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H+Na"	23.996494
"1063706"	93.38869	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2H+Na"	25.00377
"1262102"	288.195786	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+CH3OH+H"	33.033486
"391251"	549.287758	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+K"	38.963158
"744956"	804.450058	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+K"	38.963158
"1544821"	294.125458	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+K"	38.963158
"301998"	275.147517	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+H+K"	39.970434
"694418"	402.728667	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+H+K"	39.970434
"1446089"	147.566367	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H+K"	39.970434
"235757"	552.358426	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+ACN+H"	42.033826
"1210061"	297.196126	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+ACN+H"	42.033826
"1194201"	149.101701	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+ACN+2H"	43.041102
"188962"	555.29576	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+2Na-H"	44.97116
"630236"	810.45806	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+2Na-H"	44.97116
"1135929"	300.13346	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2Na-H"	44.97116
"185788"	278.151518	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+2Na"	45.978436
"617697"	405.732668	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+2Na"	45.978436
"1121203"	150.570368	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2Na"	45.978436
"1404726"	100.716004	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H+2Na"	46.985712
"1433561"	302.175046	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H+HCOOH"	47.012746
"228727"	283.18454	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+3H2O+2H"	56.04448
"1521163"	316.22709	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+IsoProp+H"	61.06479
"417568"	286.138488	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+Na+K"	61.952376
"776376"	413.719638	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+Na+K"	61.952376
"1678180"	158.557338	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Na+K"	61.952376
"265794"	574.340368	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+ACN+Na"	64.015768
"1238502"	319.178068	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+ACN+Na"	64.015768
"1725569"	319.201593	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+NH4+HCOOH"	64.039293
"1190925"	108.043318	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+3Na"	68.967654
"1662272"	324.156988	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Na+HCOOH"	68.994688
"166952"	587.24364	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+2K-H"	76.91904
"603593"	842.40594	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+2K-H"	76.91904
"1088107"	332.08134	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2K-H"	76.91904
"144922"	294.125458	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"2M+2K"	77.926316
"588859"	421.706608	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"3M+2K"	77.926316
"1078840"	166.544308	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2K"	77.926316
"1108770"	334.095892	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2K+H"	78.933592
"1341872"	334.183507	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+DMSO+H"	79.021207
"1016970"	338.222676	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2ACN+H"	83.060376
"1537649"	339.216308	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+IsoProp+Na+H"	84.054008
"999356"	169.614976	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+2ACN+2H"	84.067652
"1601883"	340.130928	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+K+HCOOH"	84.968628
"1426082"	370.162438	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+H+CF3COOH"	115.000138
"1160383"	190.128251	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+3ACN+2H"	125.094202
"1711025"	387.188985	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+NH4+CF3COOH"	132.026685
"1648860"	392.14438	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+Na+CF3COOH"	136.98208
"1577220"	408.11832	"C06960"	"Diphenhydramine"	"C17H21NO"	"255.1623"	"M+K+CF3COOH"	152.95602
"810869"	309.2093	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M"	0
"977842"	290.19091	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-H2O-H"	-19.01839
"67178"	205.132257333333	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M-3H"	-3.021828
"508926"	308.202024	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M-3H"	-3.021828
"890010"	102.062490666667	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-3H"	-3.021828
"10772"	308.202024	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M-2H"	-2.014552
"453980"	462.806674	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M-2H"	-2.014552
"823760"	153.597374	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-2H"	-2.014552
"90314"	617.411324	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M-H"	-1.007276
"529875"	926.620624	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M-H"	-1.007276
"910596"	308.202024	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-H"	-1.007276
"52210"	634.437871	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M-2H+NH4"	16.019271
"500277"	943.647171	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M-2H+NH4"	16.019271
"872853"	325.228571	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-2H+NH4"	16.019271
"37474"	639.393266	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M-2H+Na"	20.974666
"473752"	948.602566	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M-2H+Na"	20.974666
"853742"	330.183966	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-2H+Na"	20.974666
"1622181"	330.183966	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Na-2H"	20.974666
"104179"	326.190363	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M-H+Cl"	33.962126
"541551"	480.795013	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M-H+Cl"	33.962126
"931787"	171.585713	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-H+Cl"	33.962126
"274718"	653.388002	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+Cl"	34.969402
"665315"	962.597302	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+Cl"	34.969402
"1281730"	344.178702	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Cl"	34.969402
"24285"	655.367206	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M-2H+K"	36.948606
"461659"	964.576506	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M-2H+K"	36.948606
"838367"	346.157906	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-2H+K"	36.948606
"1557843"	346.157906	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+K-2H"	36.948606
"944997"	354.207494	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-H+HCOOH"	44.998194
"362489"	663.416801	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+HCOOH-H"	44.998201
"350747"	677.432451	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+Hac-H"	59.013851
"1497393"	368.223151	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Hac-H"	59.013851
"963841"	376.189451	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-H+NaCOOH"	66.980151
"111653"	344.178702	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+2Cl"	69.938804
"563249"	498.783352	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+2Cl"	69.938804
"1032411"	189.574052	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2Cl"	69.938804
"1252355"	388.128185	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Br"	78.918885
"1316626"	390.184172	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Cl+HCOOH"	80.974872
"1328291"	412.166129	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Cl+NaCOOH"	102.956829
"912789"	422.194886	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M-H+CF3COOH"	112.985586
"1298248"	458.171564	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Cl+CF3COOH"	148.962264
"1374223"	274.196624	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H-2H2O"	-35.012676
"1395729"	292.2066	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H-H2O"	-17.0027
"296873"	619.425876	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+H"	1.007276
"687106"	928.635176	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+H"	1.007276
"1361268"	310.216576	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H"	1.007276
"130876"	310.216576	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+2H"	2.014552
"580157"	464.821226	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+2H"	2.014552
"1046891"	155.611926	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2H"	2.014552
"210419"	207.146809333333	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+3H"	3.021828
"648885"	310.216576	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+3H"	3.021828
"1167012"	104.077042666667	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+3H"	3.021828
"425909"	636.452423	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+NH4"	18.033823
"786046"	945.661723	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+NH4"	18.033823
"1682262"	327.243123	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+NH4"	18.033823
"330781"	318.7298495	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+H+NH4"	19.041099
"724785"	473.3344995	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+H+NH4"	19.041099
"1478240"	164.1251995	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H+NH4"	19.041099
"393642"	641.407818	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+Na"	22.989218
"757429"	950.617118	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+Na"	22.989218
"1604436"	332.198518	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Na"	22.989218
"318115"	321.207547	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+H+Na"	23.996494
"717835"	475.812197	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+H+Na"	23.996494
"1469469"	166.602897	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H+Na"	23.996494
"1062723"	111.404356666667	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2H+Na"	25.00377
"1260026"	342.242786	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+CH3OH+H"	33.033486
"389539"	657.381758	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+K"	38.963158
"745066"	966.591058	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+K"	38.963158
"1543838"	348.172458	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+K"	38.963158
"299556"	329.194517	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+H+K"	39.970434
"694527"	483.799167	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+H+K"	39.970434
"1446522"	174.589867	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H+K"	39.970434
"235891"	660.452426	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+ACN+H"	42.033826
"1210132"	351.243126	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+ACN+H"	42.033826
"1194343"	176.125201	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+ACN+2H"	43.041102
"189438"	663.38976	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+2Na-H"	44.97116
"631439"	972.59906	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+2Na-H"	44.97116
"1137132"	354.18046	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2Na-H"	44.97116
"184805"	332.198518	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+2Na"	45.978436
"617807"	486.803168	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+2Na"	45.978436
"1121313"	177.593868	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2Na"	45.978436
"1404836"	118.731670666667	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H+2Na"	46.985712
"1435128"	356.222046	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H+HCOOH"	47.012746
"223000"	337.23154	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+3H2O+2H"	56.04448
"1520180"	370.27409	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+IsoProp+H"	61.06479
"419865"	340.185488	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+Na+K"	61.952376
"778673"	494.790138	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+Na+K"	61.952376
"1679627"	185.580838	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Na+K"	61.952376
"265176"	682.434368	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+ACN+Na"	64.015768
"1239344"	373.225068	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+ACN+Na"	64.015768
"1726408"	373.248593	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+NH4+HCOOH"	64.039293
"1190671"	126.058984666667	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+3Na"	68.967654
"1659467"	378.203988	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Na+HCOOH"	68.994688
"167062"	695.33764	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+2K-H"	76.91904
"602610"	1004.54694	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+2K-H"	76.91904
"1088217"	386.12834	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2K-H"	76.91904
"143938"	348.172458	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"2M+2K"	77.926316
"587876"	502.777108	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"3M+2K"	77.926316
"1077857"	193.567808	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2K"	77.926316
"1107787"	388.142892	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2K+H"	78.933592
"1343076"	388.230507	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+DMSO+H"	79.021207
"1019267"	392.269676	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2ACN+H"	83.060376
"1538487"	393.263308	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+IsoProp+Na+H"	84.054008
"1002746"	196.638476	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+2ACN+2H"	84.067652
"1600898"	394.177928	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+K+HCOOH"	84.968628
"1424005"	424.209438	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+H+CF3COOH"	115.000138
"1162314"	217.151751	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+3ACN+2H"	125.094202
"1710407"	441.235985	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+NH4+CF3COOH"	132.026685
"1647148"	446.19138	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+Na+CF3COOH"	136.98208
"1577330"	462.16532	"C06961"	"Diphenidol"	"C21H27NO"	"309.2093"	"M+K+CF3COOH"	152.95602
"810979"	351.2046	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M"	0
"976493"	332.18621	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-H2O-H"	-19.01839
"67287"	233.129124	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M-3H"	-3.021828
"509036"	350.197324	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M-3H"	-3.021828
"889026"	116.060924	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-3H"	-3.021828
"9787"	350.197324	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M-2H"	-2.014552
"447160"	525.799624	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M-2H"	-2.014552
"822777"	174.595024	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-2H"	-2.014552
"90424"	701.401924	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M-H"	-1.007276
"531078"	1052.606524	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M-H"	-1.007276
"910832"	350.197324	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-H"	-1.007276
"51227"	718.428471	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M-2H+NH4"	16.019271
"499536"	1069.633071	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M-2H+NH4"	16.019271
"872963"	367.223871	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-2H+NH4"	16.019271
"37584"	723.383866	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M-2H+Na"	20.974666
"473011"	1074.588466	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M-2H+Na"	20.974666
"852759"	372.179266	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-2H+Na"	20.974666
"1622291"	372.179266	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Na-2H"	20.974666
"103196"	368.185663	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M-H+Cl"	33.962126
"541661"	543.787963	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M-H+Cl"	33.962126
"931897"	192.583363	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-H+Cl"	33.962126
"274827"	737.378602	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+Cl"	34.969402
"661413"	1088.583202	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+Cl"	34.969402
"1280746"	386.174002	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Cl"	34.969402
"21114"	739.357806	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M-2H+K"	36.948606
"461767"	1090.562406	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M-2H+K"	36.948606
"837383"	388.153206	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-2H+K"	36.948606
"1557952"	388.153206	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+K-2H"	36.948606
"943402"	396.202794	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-H+HCOOH"	44.998194
"362591"	747.407401	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+HCOOH-H"	44.998201
"346834"	761.423051	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+Hac-H"	59.013851
"1494585"	410.218451	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Hac-H"	59.013851
"960302"	418.184751	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-H+NaCOOH"	66.980151
"111273"	386.174002	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+2Cl"	69.938804
"551321"	561.776302	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+2Cl"	69.938804
"1033614"	210.571702	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2Cl"	69.938804
"1251733"	430.123485	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Br"	78.918885
"1317464"	432.179472	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Cl+HCOOH"	80.974872
"1329494"	454.161429	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Cl+NaCOOH"	102.956829
"912291"	464.190186	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M-H+CF3COOH"	112.985586
"1297265"	500.166864	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Cl+CF3COOH"	148.962264
"1373240"	316.191924	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H-2H2O"	-35.012676
"1395110"	334.2019	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H-H2O"	-17.0027
"293703"	703.416476	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+H"	1.007276
"683936"	1054.621076	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+H"	1.007276
"1361378"	352.211876	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H"	1.007276
"132080"	352.211876	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+2H"	2.014552
"580388"	527.814176	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+2H"	2.014552
"1050281"	176.609576	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2H"	2.014552
"215996"	235.143676	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+3H"	3.021828
"651183"	352.211876	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+3H"	3.021828
"1165664"	118.075476	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+3H"	3.021828
"426019"	720.443023	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+NH4"	18.033823
"787013"	1071.647623	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+NH4"	18.033823
"1681883"	369.238423	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+NH4"	18.033823
"333808"	360.7251495	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+H+NH4"	19.041099
"724410"	536.3274495	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+H+NH4"	19.041099
"1478958"	185.1228495	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H+NH4"	19.041099
"395088"	725.398418	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+Na"	22.989218
"758269"	1076.603018	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+Na"	22.989218
"1605639"	374.193818	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Na"	22.989218
"318591"	363.202847	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+H+Na"	23.996494
"716852"	538.805147	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+H+Na"	23.996494
"1467393"	187.600547	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H+Na"	23.996494
"1063926"	125.40279	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2H+Na"	25.00377
"1263415"	384.238086	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+CH3OH+H"	33.033486
"389285"	741.372358	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+K"	38.963158
"745176"	1092.576958	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+K"	38.963158
"1547228"	390.167758	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+K"	38.963158
"302214"	371.189817	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+H+K"	39.970434
"693545"	546.792117	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+H+K"	39.970434
"1448457"	195.587517	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H+K"	39.970434
"236326"	744.443026	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+ACN+H"	42.033826
"1211942"	393.238426	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+ACN+H"	42.033826
"1195462"	197.122851	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+ACN+2H"	43.041102
"191980"	747.38036	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+2Na-H"	44.97116
"632632"	1098.58496	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+2Na-H"	44.97116
"1135048"	396.17576	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2Na-H"	44.97116
"175055"	374.193818	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+2Na"	45.978436
"614245"	549.796118	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+2Na"	45.978436
"1121423"	198.591518	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2Na"	45.978436
"1402030"	132.730104	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H+2Na"	46.985712
"1434873"	398.217346	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H+HCOOH"	47.012746
"223841"	379.22684	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+3H2O+2H"	56.04448
"1520290"	412.26939	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+IsoProp+H"	61.06479
"418882"	382.180788	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+Na+K"	61.952376
"778783"	557.783088	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+Na+K"	61.952376
"1679980"	206.578488	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Na+K"	61.952376
"262730"	766.424968	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+ACN+Na"	64.015768
"1239454"	415.220368	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+ACN+Na"	64.015768
"1726882"	415.243893	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+NH4+HCOOH"	64.039293
"1189320"	140.057418	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+3Na"	68.967654
"1662127"	420.199288	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Na+HCOOH"	68.994688
"168625"	779.32824	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+2K-H"	76.91904
"600533"	1130.53284	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+2K-H"	76.91904
"1089420"	428.12364	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2K-H"	76.91904
"144048"	390.167758	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"2M+2K"	77.926316
"587986"	565.770058	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"3M+2K"	77.926316
"1080153"	214.565458	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2K"	77.926316
"1108990"	430.138192	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2K+H"	78.933592
"1340999"	430.225807	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+DMSO+H"	79.021207
"1018280"	434.264976	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2ACN+H"	83.060376
"1537504"	435.258608	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+IsoProp+Na+H"	84.054008
"1002856"	217.636126	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+2ACN+2H"	84.067652
"1601736"	436.173228	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+K+HCOOH"	84.968628
"1425208"	466.204738	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+H+CF3COOH"	115.000138
"1162182"	238.149401	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+3ACN+2H"	125.094202
"1710517"	483.231285	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+NH4+CF3COOH"	132.026685
"1647258"	488.18668	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+Na+CF3COOH"	136.98208
"1577440"	504.16062	"C06963"	"Dipivefrin;Dipivefrine"	"C19H29NO5"	"351.2046"	"M+K+CF3COOH"	152.95602
"811089"	339.2311	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M"	0
"975875"	320.21271	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-H2O-H"	-19.01839
"67397"	225.146790666667	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M-3H"	-3.021828
"508053"	338.223824	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M-3H"	-3.021828
"889136"	112.069757333333	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-3H"	-3.021828
"9897"	338.223824	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M-2H"	-2.014552
"447270"	507.839374	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M-2H"	-2.014552
"822887"	168.608274	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-2H"	-2.014552
"85065"	677.454924	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M-H"	-1.007276
"531067"	1016.686024	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M-H"	-1.007276
"907897"	338.223824	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-H"	-1.007276
"54617"	694.481471	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M-2H+NH4"	16.019271
"501712"	1033.712571	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M-2H+NH4"	16.019271
"876353"	355.250371	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-2H+NH4"	16.019271
"43161"	699.436866	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M-2H+Na"	20.974666
"472513"	1038.667966	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M-2H+Na"	20.974666
"852869"	360.205766	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-2H+Na"	20.974666
"1622401"	360.205766	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Na-2H"	20.974666
"101119"	356.212163	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M-H+Cl"	33.962126
"546146"	525.827713	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M-H+Cl"	33.962126
"930913"	186.596613	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-H+Cl"	33.962126
"276031"	713.431602	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+Cl"	34.969402
"668451"	1052.662702	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+Cl"	34.969402
"1278669"	374.200502	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Cl"	34.969402
"20130"	715.410806	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M-2H+K"	36.948606
"458597"	1054.641906	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M-2H+K"	36.948606
"841868"	376.179706	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-2H+K"	36.948606
"1557697"	376.179706	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+K-2H"	36.948606
"944480"	384.229294	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-H+HCOOH"	44.998194
"362337"	723.460401	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+HCOOH-H"	44.998201
"347185"	737.476051	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+Hac-H"	59.013851
"1494436"	398.244951	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Hac-H"	59.013851
"960049"	406.211251	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-H+NaCOOH"	66.980151
"110769"	374.200502	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+2Cl"	69.938804
"551430"	543.816052	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+2Cl"	69.938804
"1023147"	204.584952	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2Cl"	69.938804
"1242841"	418.149985	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Br"	78.918885
"1318303"	420.205972	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Cl+HCOOH"	80.974872
"1329605"	442.187929	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Cl+NaCOOH"	102.956829
"914102"	452.216686	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M-H+CF3COOH"	112.985586
"1297375"	488.193364	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Cl+CF3COOH"	148.962264
"1374443"	304.218424	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H-2H2O"	-35.012676
"1394127"	322.2284	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H-H2O"	-17.0027
"293813"	679.469476	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+H"	1.007276
"684046"	1018.700576	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+H"	1.007276
"1360395"	340.238376	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H"	1.007276
"133284"	340.238376	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+2H"	2.014552
"577219"	509.853926	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+2H"	2.014552
"1052498"	170.622826	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2H"	2.014552
"213922"	227.161342666667	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+3H"	3.021828
"651294"	340.238376	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+3H"	3.021828
"1165410"	114.084309333333	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+3H"	3.021828
"427222"	696.496023	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+NH4"	18.033823
"788216"	1035.727123	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+NH4"	18.033823
"1681633"	357.264923	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+NH4"	18.033823
"333919"	348.7516495	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+H+NH4"	19.041099
"724885"	518.3671995	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+H+NH4"	19.041099
"1480162"	179.1360995	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H+NH4"	19.041099
"395927"	701.451418	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+Na"	22.989218
"758014"	1040.682518	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+Na"	22.989218
"1607206"	362.220318	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Na"	22.989218
"318336"	351.229347	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+H+Na"	23.996494
"716961"	520.844897	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+H+Na"	23.996494
"1466774"	181.613797	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H+Na"	23.996494
"1064036"	121.411623333333	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2H+Na"	25.00377
"1263525"	372.264586	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+CH3OH+H"	33.033486
"390490"	717.425358	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+K"	38.963158
"748566"	1056.656458	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+K"	38.963158
"1550618"	378.194258	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+K"	38.963158
"304512"	359.216317	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+H+K"	39.970434
"692925"	528.831867	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+H+K"	39.970434
"1448567"	189.600767	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H+K"	39.970434
"237526"	720.496026	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+ACN+H"	42.033826
"1211691"	381.264926	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+ACN+H"	42.033826
"1197034"	191.136101	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+ACN+2H"	43.041102
"190751"	723.43336	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+2Na-H"	44.97116
"630918"	1062.66446	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+2Na-H"	44.97116
"1133332"	384.20226	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2Na-H"	44.97116
"173382"	362.220318	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+2Na"	45.978436
"613752"	531.835868	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+2Na"	45.978436
"1127361"	192.604768	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2Na"	45.978436
"1405051"	128.738937333333	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H+2Na"	46.985712
"1439354"	386.243846	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H+HCOOH"	47.012746
"226863"	367.25334	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+3H2O+2H"	56.04448
"1517113"	400.29589	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+IsoProp+H"	61.06479
"411331"	370.207288	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+Na+K"	61.952376
"771475"	539.822838	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+Na+K"	61.952376
"1665982"	200.591738	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Na+K"	61.952376
"254086"	742.477968	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+ACN+Na"	64.015768
"1239565"	403.246868	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+ACN+Na"	64.015768
"1726262"	403.270393	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+NH4+HCOOH"	64.039293
"1189430"	136.066251333333	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+3Na"	68.967654
"1661873"	408.225788	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Na+HCOOH"	68.994688
"168735"	755.38124	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+2K-H"	76.91904
"601007"	1094.61234	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+2K-H"	76.91904
"1088437"	416.15014	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2K-H"	76.91904
"147438"	378.194258	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"2M+2K"	77.926316
"583718"	547.809808	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"3M+2K"	77.926316
"1072605"	208.578708	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2K"	77.926316
"1112380"	418.164692	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2K+H"	78.933592
"1343296"	418.252307	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+DMSO+H"	79.021207
"1016204"	422.291476	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2ACN+H"	83.060376
"1536521"	423.285108	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+IsoProp+Na+H"	84.054008
"1003695"	211.649376	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+2ACN+2H"	84.067652
"1596378"	424.199728	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+K+HCOOH"	84.968628
"1424224"	454.231238	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+H+CF3COOH"	115.000138
"1161075"	232.162651	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+3ACN+2H"	125.094202
"1710991"	471.257785	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+NH4+CF3COOH"	132.026685
"1647368"	476.21318	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+Na+CF3COOH"	136.98208
"1577550"	492.18712	"C06965"	"Disopyramide"	"C21H29N3O"	"339.2311"	"M+K+CF3COOH"	152.95602
"811199"	301.1678	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M"	0
"975985"	282.14941	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-H2O-H"	-19.01839
"67507"	199.771257333333	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M-3H"	-3.021828
"511443"	300.160524	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M-3H"	-3.021828
"892526"	99.3819906666667	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-3H"	-3.021828
"7820"	300.160524	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M-2H"	-2.014552
"447380"	450.744424	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M-2H"	-2.014552
"825184"	149.576624	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-2H"	-2.014552
"84083"	601.328324	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M-H"	-1.007276
"531298"	902.496124	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M-H"	-1.007276
"909100"	300.160524	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-H"	-1.007276
"51447"	618.354871	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M-2H+NH4"	16.019271
"498663"	919.522671	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M-2H+NH4"	16.019271
"873183"	317.187071	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-2H+NH4"	16.019271
"44364"	623.310266	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M-2H+Na"	20.974666
"472502"	924.478066	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M-2H+Na"	20.974666
"852979"	322.142466	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-2H+Na"	20.974666
"1620566"	322.142466	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Na-2H"	20.974666
"100135"	318.148863	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M-H+Cl"	33.962126
"545162"	468.732763	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M-H+Cl"	33.962126
"929200"	167.564963	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-H+Cl"	33.962126
"276141"	637.305002	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+Cl"	34.969402
"665281"	938.472802	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+Cl"	34.969402
"1280966"	336.137202	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Cl"	34.969402
"19144"	639.284206	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M-2H+K"	36.948606
"459435"	940.452006	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M-2H+K"	36.948606
"838698"	338.116406	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-2H+K"	36.948606
"1558904"	338.116406	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+K-2H"	36.948606
"945326"	346.165994	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-H+HCOOH"	44.998194
"363544"	647.333801	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+HCOOH-H"	44.998201
"346696"	661.349451	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+Hac-H"	59.013851
"1496259"	360.181651	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Hac-H"	59.013851
"960037"	368.147951	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-H+NaCOOH"	66.980151
"112099"	336.137202	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+2Cl"	69.938804
"550078"	486.721102	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+2Cl"	69.938804
"1023621"	185.553302	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2Cl"	69.938804
"1242835"	380.086685	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Br"	78.918885
"1304913"	382.142672	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Cl+HCOOH"	80.974872
"1334089"	404.124629	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Cl+NaCOOH"	102.956829
"916400"	414.153386	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M-H+CF3COOH"	112.985586
"1296392"	450.130064	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Cl+CF3COOH"	148.962264
"1374553"	266.155124	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H-2H2O"	-35.012676
"1392050"	284.1651	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H-H2O"	-17.0027
"288455"	603.342876	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+H"	1.007276
"683063"	904.510676	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+H"	1.007276
"1357225"	302.175076	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H"	1.007276
"131207"	302.175076	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+2H"	2.014552
"576236"	452.758976	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+2H"	2.014552
"1051231"	151.591176	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2H"	2.014552
"215125"	201.785809333333	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+3H"	3.021828
"650311"	302.175076	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+3H"	3.021828
"1165519"	101.396542666667	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+3H"	3.021828
"427334"	620.369423	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+NH4"	18.033823
"786381"	921.537223	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+NH4"	18.033823
"1682108"	319.201623	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+NH4"	18.033823
"331479"	310.6883495	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+H+NH4"	19.041099
"727545"	461.2722495	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+H+NH4"	19.041099
"1484645"	160.1044495	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H+NH4"	19.041099
"399317"	625.324818	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+Na"	22.989218
"762134"	926.492618	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+Na"	22.989218
"1611326"	324.157018	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Na"	22.989218
"320270"	313.166047	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+H+Na"	23.996494
"713791"	463.749947	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+H+Na"	23.996494
"1463605"	162.582147	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H+Na"	23.996494
"1060867"	108.723856666667	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2H+Na"	25.00377
"1261449"	334.201286	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+CH3OH+H"	33.033486
"388413"	641.298758	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+K"	38.963158
"747583"	942.466558	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+K"	38.963158
"1550728"	340.130958	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+K"	38.963158
"306809"	321.153017	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+H+K"	39.970434
"691943"	471.736917	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+H+K"	39.970434
"1446612"	170.569117	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H+K"	39.970434
"236542"	644.369426	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+ACN+H"	42.033826
"1211075"	343.201626	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+ACN+H"	42.033826
"1196053"	172.104451	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+ACN+2H"	43.041102
"190016"	647.30676	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+2Na-H"	44.97116
"629087"	948.47456	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+2Na-H"	44.97116
"1132229"	346.13896	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2Na-H"	44.97116
"172974"	324.157018	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+2Na"	45.978436
"612872"	474.740918	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+2Na"	45.978436
"1129294"	173.573118	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2Na"	45.978436
"1406255"	116.051170666667	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H+2Na"	46.985712
"1441651"	348.180546	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H+HCOOH"	47.012746
"229160"	329.19004	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+3H2O+2H"	56.04448
"1513941"	362.23259	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+IsoProp+H"	61.06479
"412533"	332.143988	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+Na+K"	61.952376
"771341"	482.727888	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+Na+K"	61.952376
"1668766"	181.560088	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Na+K"	61.952376
"252736"	666.351368	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+ACN+Na"	64.015768
"1226781"	365.183568	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+ACN+Na"	64.015768
"1714089"	365.207093	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+NH4+HCOOH"	64.039293
"1180175"	123.378484666667	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+3Na"	68.967654
"1652252"	370.162488	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Na+HCOOH"	68.994688
"161179"	679.25464	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+2K-H"	76.91904
"604031"	980.42244	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+2K-H"	76.91904
"1086358"	378.08684	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2K-H"	76.91904
"143296"	340.130958	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"2M+2K"	77.926316
"584920"	490.714858	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"3M+2K"	77.926316
"1072715"	189.547058	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2K"	77.926316
"1113098"	380.101392	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2K+H"	78.933592
"1341219"	380.189007	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+DMSO+H"	79.021207
"1018136"	384.228176	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2ACN+H"	83.060376
"1537724"	385.221808	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+IsoProp+Na+H"	84.054008
"1003805"	192.617726	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+2ACN+2H"	84.067652
"1602201"	386.136428	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+K+HCOOH"	84.968628
"1426521"	416.167938	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+H+CF3COOH"	115.000138
"1162525"	213.131001	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+3ACN+2H"	125.094202
"1711708"	433.194485	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+NH4+CF3COOH"	132.026685
"1647478"	438.14988	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+Na+CF3COOH"	136.98208
"1577660"	454.12382	"C06967"	"Dobutamine"	"C18H23NO3"	"301.1678"	"M+K+CF3COOH"	152.95602
"816990"	324.0272	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M"	0
"989772"	305.00881	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-H2O-H"	-19.01839
"74189"	215.010857333333	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M-3H"	-3.021828
"518395"	323.019924	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M-3H"	-3.021828
"894951"	107.001790666667	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-3H"	-3.021828
"12309"	323.019924	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M-2H"	-2.014552
"454059"	485.033524	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M-2H"	-2.014552
"831738"	161.006324	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-2H"	-2.014552
"91849"	647.047124	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M-H"	-1.007276
"528128"	971.074324	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M-H"	-1.007276
"902649"	323.019924	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-H"	-1.007276
"51557"	664.073671	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M-2H+NH4"	16.019271
"493305"	988.100871	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M-2H+NH4"	16.019271
"875480"	340.046471	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-2H+NH4"	16.019271
"41194"	669.029066	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M-2H+Na"	20.974666
"476381"	993.056266	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M-2H+Na"	20.974666
"859653"	345.001866	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-2H+Na"	20.974666
"1624083"	345.001866	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Na-2H"	20.974666
"100247"	341.008263	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M-H+Cl"	33.962126
"538711"	503.021863	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M-H+Cl"	33.962126
"927974"	178.994663	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-H+Cl"	33.962126
"274062"	683.023802	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+Cl"	34.969402
"665390"	1007.051002	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+Cl"	34.969402
"1278887"	358.996602	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Cl"	34.969402
"20351"	685.003006	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M-2H+K"	36.948606
"458821"	1009.030206	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M-2H+K"	36.948606
"839906"	360.975806	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-2H+K"	36.948606
"1560114"	360.975806	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+K-2H"	36.948606
"943498"	369.025394	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-H+HCOOH"	44.998194
"362931"	693.052601	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+HCOOH-H"	44.998201
"347906"	707.068251	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+Hac-H"	59.013851
"1496742"	383.041051	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Hac-H"	59.013851
"961002"	391.007351	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-H+NaCOOH"	66.980151
"117565"	358.996602	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+2Cl"	69.938804
"557125"	521.010202	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+2Cl"	69.938804
"1027018"	196.983002	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2Cl"	69.938804
"1252067"	402.946085	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Br"	78.918885
"1319844"	405.002072	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Cl+HCOOH"	80.974872
"1329830"	426.984029	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Cl+NaCOOH"	102.956829
"926243"	437.012786	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M-H+CF3COOH"	112.985586
"1304046"	472.989464	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Cl+CF3COOH"	148.962264
"1377948"	289.014524	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H-2H2O"	-35.012676
"1391071"	307.0245	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H-H2O"	-17.0027
"286379"	649.061676	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+H"	1.007276
"686459"	973.088876	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+H"	1.007276
"1361713"	325.034476	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H"	1.007276
"135695"	325.034476	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+2H"	2.014552
"569423"	487.048076	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+2H"	2.014552
"1041870"	163.020876	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2H"	2.014552
"210864"	217.025409333333	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+3H"	3.021828
"648237"	325.034476	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+3H"	3.021828
"1168549"	109.016342666667	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+3H"	3.021828
"430725"	666.088223	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+NH4"	18.033823
"791723"	990.115423	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+NH4"	18.033823
"1689144"	342.061023	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+NH4"	18.033823
"337424"	333.5477495	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+H+NH4"	19.041099
"726931"	495.5613495	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+H+NH4"	19.041099
"1484761"	171.5341495	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H+NH4"	19.041099
"400158"	671.043618	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+Na"	22.989218
"763339"	995.070818	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+Na"	22.989218
"1610349"	347.016418	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Na"	22.989218
"319290"	336.025447	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+H+Na"	23.996494
"717188"	498.039047	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+H+Na"	23.996494
"1474659"	174.011847	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H+Na"	23.996494
"1063171"	116.343656666667	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2H+Na"	25.00377
"1268131"	357.060686	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+CH3OH+H"	33.033486
"386701"	687.017558	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+K"	38.963158
"748792"	1011.044758	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+K"	38.963158
"1549749"	362.990358	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+K"	38.963158
"302548"	344.012417	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+H+K"	39.970434
"694968"	506.026017	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+H+K"	39.970434
"1449878"	181.998817	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H+K"	39.970434
"237752"	690.088226	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+ACN+H"	42.033826
"1213736"	366.061026	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+ACN+H"	42.033826
"1199808"	183.534151	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+ACN+2H"	43.041102
"194499"	693.02556	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+2Na-H"	44.97116
"635159"	1017.05276	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+2Na-H"	44.97116
"1139758"	368.99836	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2Na-H"	44.97116
"188163"	347.016418	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+2Na"	45.978436
"618975"	509.030018	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+2Na"	45.978436
"1125032"	185.002818	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2Na"	45.978436
"1403453"	123.670970666667	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H+2Na"	46.985712
"1434474"	371.039946	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H+HCOOH"	47.012746
"222710"	352.04944	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+3H2O+2H"	56.04448
"1512964"	385.09199	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+IsoProp+H"	61.06479
"419212"	355.003388	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+Na+K"	61.952376
"779113"	517.016988	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+Na+K"	61.952376
"1680674"	192.989788	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Na+K"	61.952376
"264884"	712.070168	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+ACN+Na"	64.015768
"1237593"	388.042968	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+ACN+Na"	64.015768
"1724657"	388.066493	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+NH4+HCOOH"	64.039293
"1190740"	130.998284666667	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+3Na"	68.967654
"1661728"	393.021888	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Na+HCOOH"	68.994688
"168953"	724.97344	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+2K-H"	76.91904
"604870"	1049.00064	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+2K-H"	76.91904
"1090836"	400.94624	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2K-H"	76.91904
"145471"	362.990358	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"2M+2K"	77.926316
"586123"	525.003958	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"3M+2K"	77.926316
"1073918"	200.976758	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2K"	77.926316
"1112600"	402.960792	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2K+H"	78.933592
"1341329"	403.048407	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+DMSO+H"	79.021207
"1018489"	407.087576	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2ACN+H"	83.060376
"1535646"	408.081208	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+IsoProp+Na+H"	84.054008
"1003186"	204.047426	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+2ACN+2H"	84.067652
"1602434"	408.995828	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+K+HCOOH"	84.968628
"1426631"	439.027338	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+H+CF3COOH"	115.000138
"1161783"	224.560701	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+3ACN+2H"	125.094202
"1711575"	456.053885	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+NH4+CF3COOH"	132.026685
"1647588"	461.00928	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+Na+CF3COOH"	136.98208
"1577770"	476.98322	"C06969"	"Dorzolamide"	"C10H16N2O4S3"	"324.0272"	"M+K+CF3COOH"	152.95602
"810326"	451.1856	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M"	0
"974213"	432.16721	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-H2O-H"	-19.01839
"64447"	299.783124	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M-3H"	-3.021828
"510570"	450.178324	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M-3H"	-3.021828
"887279"	149.387924	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-3H"	-3.021828
"4760"	450.178324	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M-2H"	-2.014552
"446507"	675.771124	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M-2H"	-2.014552
"825404"	224.585524	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-2H"	-2.014552
"87584"	901.363924	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M-H"	-1.007276
"526051"	1352.549524	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M-H"	-1.007276
"899113"	450.178324	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-H"	-1.007276
"51667"	918.390471	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M-2H+NH4"	16.019271
"493415"	1369.576071	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M-2H+NH4"	16.019271
"875590"	467.204871	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-2H+NH4"	16.019271
"41304"	923.345866	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M-2H+Na"	20.974666
"476491"	1374.531466	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M-2H+Na"	20.974666
"859763"	472.160266	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-2H+Na"	20.974666
"1621277"	472.160266	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Na-2H"	20.974666
"103638"	468.166663	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M-H+Cl"	33.962126
"537730"	693.759463	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M-H+Cl"	33.962126
"928329"	242.573863	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-H+Cl"	33.962126
"273081"	937.340602	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+Cl"	34.969402
"662220"	1388.526202	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+Cl"	34.969402
"1277904"	486.155002	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Cl"	34.969402
"18638"	939.319806	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M-2H+K"	36.948606
"457838"	1390.505406	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M-2H+K"	36.948606
"835639"	488.134206	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-2H+K"	36.948606
"1558037"	488.134206	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+K-2H"	36.948606
"945918"	496.183794	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-H+HCOOH"	44.998194
"369604"	947.369401	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+HCOOH-H"	44.998201
"350207"	961.385051	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+Hac-H"	59.013851
"1495759"	510.199451	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Hac-H"	59.013851
"960019"	518.165751	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-H+NaCOOH"	66.980151
"122050"	486.155002	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+2Cl"	69.938804
"557235"	711.747802	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+2Cl"	69.938804
"1026035"	260.562202	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2Cl"	69.938804
"1253270"	530.104485	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Br"	78.918885
"1315725"	532.160472	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Cl+HCOOH"	80.974872
"1332127"	554.142429	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Cl+NaCOOH"	102.956829
"922092"	564.171186	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M-H+CF3COOH"	112.985586
"1300989"	600.147864	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Cl+CF3COOH"	148.962264
"1372589"	416.172924	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H-2H2O"	-35.012676
"1382833"	434.1829	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H-H2O"	-17.0027
"287586"	903.378476	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+H"	1.007276
"677817"	1354.564076	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+H"	1.007276
"1356355"	452.192876	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H"	1.007276
"130338"	452.192876	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+2H"	2.014552
"568436"	677.785676	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+2H"	2.014552
"1040881"	226.600076	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2H"	2.014552
"206600"	301.797676	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+3H"	3.021828
"646886"	452.192876	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+3H"	3.021828
"1167566"	151.402476	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+3H"	3.021828
"428650"	920.405023	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+NH4"	18.033823
"789646"	1371.590623	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+NH4"	18.033823
"1685974"	469.219423	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+NH4"	18.033823
"333888"	460.7061495	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+H+NH4"	19.041099
"725581"	686.2989495	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+H+NH4"	19.041099
"1482684"	235.1133495	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H+NH4"	19.041099
"394436"	925.360418	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+Na"	22.989218
"757983"	1376.546018	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+Na"	22.989218
"1607178"	474.174818	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Na"	22.989218
"315392"	463.183847	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+H+Na"	23.996494
"717298"	688.776647	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+H+Na"	23.996494
"1468938"	237.591047	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H+Na"	23.996494
"1062188"	158.72979	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2H+Na"	25.00377
"1269334"	484.219086	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+CH3OH+H"	33.033486
"384625"	941.334358	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+K"	38.963158
"749997"	1392.519958	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+K"	38.963158
"1550953"	490.148758	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+K"	38.963158
"303755"	471.170817	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+H+K"	39.970434
"692283"	696.763617	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+H+K"	39.970434
"1448897"	245.578017	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H+K"	39.970434
"239682"	944.405026	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+ACN+H"	42.033826
"1214575"	493.219426	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+ACN+H"	42.033826
"1199189"	247.113351	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+ACN+2H"	43.041102
"194609"	947.34236	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+2Na-H"	44.97116
"631990"	1398.52796	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+2Na-H"	44.97116
"1136224"	496.15676	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2Na-H"	44.97116
"188470"	474.174818	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+2Na"	45.978436
"627835"	699.767618	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+2Na"	45.978436
"1126237"	248.582018	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2Na"	45.978436
"1403563"	166.057104	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H+2Na"	46.985712
"1433491"	498.198346	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H+HCOOH"	47.012746
"221726"	479.20784	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+3H2O+2H"	56.04448
"1511980"	512.25039	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+IsoProp+H"	61.06479
"419322"	482.161788	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+Na+K"	61.952376
"779223"	707.754588	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+Na+K"	61.952376
"1678476"	256.568988	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Na+K"	61.952376
"260984"	966.386968	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+ACN+Na"	64.015768
"1235879"	515.201368	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+ACN+Na"	64.015768
"1723310"	515.224893	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+NH4+HCOOH"	64.039293
"1189027"	173.384418	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+3Na"	68.967654
"1661109"	520.180288	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Na+HCOOH"	68.994688
"167605"	979.29024	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+2K-H"	76.91904
"605344"	1430.47584	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+2K-H"	76.91904
"1090946"	528.10464	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2K-H"	76.91904
"144488"	490.148758	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"2M+2K"	77.926316
"586233"	715.741558	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"3M+2K"	77.926316
"1074028"	264.555958	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2K"	77.926316
"1110522"	530.119192	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2K+H"	78.933592
"1340346"	530.206807	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+DMSO+H"	79.021207
"1019448"	534.245976	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2ACN+H"	83.060376
"1535756"	535.239608	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+IsoProp+Na+H"	84.054008
"1005527"	267.626626	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+2ACN+2H"	84.067652
"1602176"	536.154228	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+K+HCOOH"	84.968628
"1427834"	566.185738	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+H+CF3COOH"	115.000138
"1162137"	288.139901	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+3ACN+2H"	125.094202
"1710954"	583.212285	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+NH4+CF3COOH"	132.026685
"1648427"	588.16768	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+Na+CF3COOH"	136.98208
"1577880"	604.14162	"C06970"	"Doxazosin"	"C23H25N5O5"	"451.1856"	"M+K+CF3COOH"	152.95602
"810437"	279.1623	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M"	0
"975222"	260.14391	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-H2O-H"	-19.01839
"67837"	185.100924	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M-3H"	-3.021828
"516877"	278.155024	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M-3H"	-3.021828
"887389"	92.046824	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-3H"	-3.021828
"11431"	278.155024	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M-2H"	-2.014552
"447710"	417.736174	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M-2H"	-2.014552
"826607"	138.573874	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-2H"	-2.014552
"92801"	557.317324	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M-H"	-1.007276
"525069"	836.479624	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M-H"	-1.007276
"898860"	278.155024	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-H"	-1.007276
"59433"	574.343871	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M-2H+NH4"	16.019271
"494621"	853.506171	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M-2H+NH4"	16.019271
"870235"	295.181571	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-2H+NH4"	16.019271
"40323"	579.299266	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M-2H+Na"	20.974666
"478791"	858.461566	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M-2H+Na"	20.974666
"854408"	300.136966	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-2H+Na"	20.974666
"1621387"	300.136966	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Na-2H"	20.974666
"100467"	296.143363	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M-H+Cl"	33.962126
"536381"	435.724513	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M-H+Cl"	33.962126
"929164"	156.562213	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-H+Cl"	33.962126
"270639"	593.294002	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+Cl"	34.969402
"664515"	872.456302	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+Cl"	34.969402
"1276190"	314.131702	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Cl"	34.969402
"19111"	595.273206	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M-2H+K"	36.948606
"458312"	874.435506	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M-2H+K"	36.948606
"834654"	316.110906	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-2H+K"	36.948606
"1556687"	316.110906	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+K-2H"	36.948606
"943841"	324.160494	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-H+HCOOH"	44.998194
"363148"	603.322801	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+HCOOH-H"	44.998201
"347758"	617.338451	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+Hac-H"	59.013851
"1496962"	338.176151	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Hac-H"	59.013851
"963410"	346.142451	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-H+NaCOOH"	66.980151
"122160"	314.131702	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+2Cl"	69.938804
"557346"	453.712852	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+2Cl"	69.938804
"1029425"	174.550552	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2Cl"	69.938804
"1254473"	358.081185	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Br"	78.918885
"1316928"	360.137172	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Cl+HCOOH"	80.974872
"1331144"	382.119129	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Cl+NaCOOH"	102.956829
"922202"	392.147886	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M-H+CF3COOH"	112.985586
"1296724"	428.124564	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Cl+CF3COOH"	148.962264
"1369420"	244.149624	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H-2H2O"	-35.012676
"1382849"	262.1596	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H-H2O"	-17.0027
"284414"	559.331876	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+H"	1.007276
"677930"	838.494176	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+H"	1.007276
"1358653"	280.169576	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H"	1.007276
"130449"	280.169576	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+2H"	2.014552
"568911"	419.750726	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+2H"	2.014552
"1038197"	140.588426	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2H"	2.014552
"206710"	187.115476	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+3H"	3.021828
"645903"	280.169576	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+3H"	3.021828
"1163665"	94.061376	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+3H"	3.021828
"426208"	576.358423	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+NH4"	18.033823
"793030"	855.520723	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+NH4"	18.033823
"1686080"	297.196123	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+NH4"	18.033823
"333632"	288.6828495	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+H+NH4"	19.041099
"726053"	428.2639995	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+H+NH4"	19.041099
"1480967"	149.1016995	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H+NH4"	19.041099
"396367"	581.313818	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+Na"	22.989218
"758094"	860.476118	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+Na"	22.989218
"1605466"	302.151518	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Na"	22.989218
"317685"	291.160547	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+H+Na"	23.996494
"717412"	430.741697	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+H+Na"	23.996494
"1469042"	151.579397	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H+Na"	23.996494
"1067401"	101.38869	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2H+Na"	25.00377
"1267986"	312.195786	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+CH3OH+H"	33.033486
"387654"	597.287758	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+K"	38.963158
"751927"	876.450058	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+K"	38.963158
"1549969"	318.125458	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+K"	38.963158
"304593"	299.147517	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+H+K"	39.970434
"692637"	438.728667	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+H+K"	39.970434
"1447185"	159.566367	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H+K"	39.970434
"238700"	600.358426	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+ACN+H"	42.033826
"1213593"	321.196126	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+ACN+H"	42.033826
"1201121"	161.101701	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+ACN+2H"	43.041102
"193994"	603.29576	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+2Na-H"	44.97116
"635382"	882.45806	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+2Na-H"	44.97116
"1135971"	324.13346	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2Na-H"	44.97116
"187660"	302.151518	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+2Na"	45.978436
"625028"	441.732668	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+2Na"	45.978436
"1126347"	162.570368	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2Na"	45.978436
"1404038"	108.716004	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H+2Na"	46.985712
"1435422"	326.175046	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H+HCOOH"	47.012746
"223293"	307.18454	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+3H2O+2H"	56.04448
"1512090"	340.22709	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+IsoProp+H"	61.06479
"418339"	310.138488	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+Na+K"	61.952376
"779333"	449.719638	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+Na+K"	61.952376
"1676396"	170.557338	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Na+K"	61.952376
"260000"	622.340368	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+ACN+Na"	64.015768
"1235260"	343.178068	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+ACN+Na"	64.015768
"1721593"	343.201593	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+NH4+HCOOH"	64.039293
"1188040"	116.043318	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+3Na"	68.967654
"1656839"	348.156988	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Na+HCOOH"	68.994688
"160781"	635.24364	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+2K-H"	76.91904
"603264"	914.40594	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+2K-H"	76.91904
"1086317"	356.08134	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2K-H"	76.91904
"149335"	318.125458	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"2M+2K"	77.926316
"587074"	457.706608	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"3M+2K"	77.926316
"1071951"	178.544308	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2K"	77.926316
"1106258"	358.095892	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2K+H"	78.933592
"1341548"	358.183507	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+DMSO+H"	79.021207
"1019560"	362.222676	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2ACN+H"	83.060376
"1536959"	363.216308	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+IsoProp+Na+H"	84.054008
"1004622"	181.614976	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+2ACN+2H"	84.067652
"1602413"	364.130928	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+K+HCOOH"	84.968628
"1426851"	394.162438	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+H+CF3COOH"	115.000138
"1162568"	202.128251	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+3ACN+2H"	125.094202
"1712594"	411.188985	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+NH4+CF3COOH"	132.026685
"1648537"	416.14438	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+Na+CF3COOH"	136.98208
"1577990"	432.11832	"C06971"	"Doxepin"	"C19H21NO"	"279.1623"	"M+K+CF3COOH"	152.95602
"814918"	314.2246	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M"	0
"975332"	295.20621	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"67947"	208.475790666667	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"516989"	313.217324	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"889686"	103.734257333333	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"13728"	313.217324	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"447820"	470.329624	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"825624"	156.105024	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"88897"	627.441924	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"525179"	941.666524	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"898605"	313.217324	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"51888"	644.468471	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"496918"	958.693071	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"872532"	330.243871	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"40434"	649.423866	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"478172"	963.648466	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"855611"	335.199266	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1620767"	335.199266	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"100577"	331.205663	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"541231"	488.317963	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"930731"	174.093363	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"271114"	663.418602	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"665355"	977.643202	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1277033"	349.194002	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"19587"	665.397806	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"458058"	979.622406	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"835860"	351.173206	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1559349"	351.173206	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"948325"	359.222794	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"365446"	673.447401	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"348235"	687.463051	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1499259"	373.238451	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"964614"	381.204751	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"121906"	349.194002	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"560736"	506.306302	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1029534"	192.081702	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1254583"	393.143485	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1313759"	395.199472	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1330161"	417.181429	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"915752"	427.210186	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1300114"	463.186864	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1367701"	279.211924	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1384102"	297.2219	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"284766"	629.456476	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"678040"	943.681076	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1356577"	315.231876	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"127643"	315.231876	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"568291"	472.344176	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1039641"	158.119576	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"206088"	210.490342666667	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"646374"	315.231876	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1166322"	105.748809333333	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"429233"	646.483023	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"790225"	960.707623	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1683642"	332.258423	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"333013"	323.7451495	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"725797"	480.8574495	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1482534"	166.6328495	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"397205"	651.438418	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"759296"	965.663018	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1604484"	337.213818	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"318528"	326.222847	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"717522"	483.335147	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1469152"	169.110547	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1067511"	113.076123333333	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1268096"	347.258086	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"389951"	667.412358	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"750580"	981.636958	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1550079"	353.187758	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"305432"	334.209817	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"694206"	491.322117	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1449118"	177.097517	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"238446"	670.483026	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1218076"	356.258426	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1203054"	178.632851	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"192648"	673.42036	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"634398"	987.64496	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1136081"	359.19576	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"188008"	337.213818	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"624774"	494.326118	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1126457"	180.101518	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1403784"	120.403437333333	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1436625"	361.237346	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"227413"	342.24684	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1513656"	375.28939	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"411516"	345.200788	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"775064"	502.313088	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1677597"	188.088488	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"262297"	692.464968	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1233909"	378.240368	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1721703"	378.263893	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1184870"	127.730751333333	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1655856"	383.219288	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"160528"	705.36824	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"601183"	1019.59284	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1085334"	391.14364	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"145799"	353.187758	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"587913"	510.300058	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1073154"	196.075458	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1106364"	393.158192	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1341654"	393.245807	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1017845"	397.284976	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1538038"	398.278608	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"1003999"	199.146126	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1602485"	399.193228	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1426961"	429.224738	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1162520"	219.659401	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1712394"	446.251285	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1649011"	451.20668	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1578100"	467.18062	"C06972"	"Dronabinol;delta9-Tetrahydrocannabinol;Tetrahydrocannabinol;THC"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"815028"	444.1533	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M"	0
"978722"	425.13491	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-H2O-H"	-19.01839
"68057"	295.094924	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M-3H"	-3.021828
"518403"	443.146024	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M-3H"	-3.021828
"887609"	147.043824	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-3H"	-3.021828
"11651"	443.146024	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M-2H"	-2.014552
"449023"	665.222674	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M-2H"	-2.014552
"826827"	221.069374	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-2H"	-2.014552
"84631"	887.299324	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M-H"	-1.007276
"525292"	1331.452624	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M-H"	-1.007276
"906372"	443.146024	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-H"	-1.007276
"54187"	904.325871	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M-2H+NH4"	16.019271
"497028"	1348.479171	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M-2H+NH4"	16.019271
"877993"	460.172571	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-2H+NH4"	16.019271
"38357"	909.281266	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M-2H+Na"	20.974666
"477921"	1353.434566	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M-2H+Na"	20.974666
"857909"	465.127966	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-2H+Na"	20.974666
"1625254"	465.127966	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Na-2H"	20.974666
"95950"	461.134363	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M-H+Cl"	33.962126
"535145"	683.211013	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M-H+Cl"	33.962126
"929023"	239.057713	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-H+Cl"	33.962126
"269763"	923.276002	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+Cl"	34.969402
"664737"	1367.429302	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+Cl"	34.969402
"1275684"	479.122702	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Cl"	34.969402
"19334"	925.255206	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M-2H+K"	36.948606
"460353"	1369.408506	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M-2H+K"	36.948606
"835240"	481.101906	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-2H+K"	36.948606
"1562740"	481.101906	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+K-2H"	36.948606
"949529"	489.151494	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-H+HCOOH"	44.998194
"366650"	933.304801	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+HCOOH-H"	44.998201
"351625"	947.320451	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+Hac-H"	59.013851
"1498270"	503.167151	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Hac-H"	59.013851
"964724"	511.133451	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-H+NaCOOH"	66.980151
"118007"	479.122702	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+2Cl"	69.938804
"563762"	701.199352	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+2Cl"	69.938804
"1029644"	257.046052	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2Cl"	69.938804
"1255788"	523.072185	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Br"	78.918885
"1314962"	525.128172	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Cl+HCOOH"	80.974872
"1330271"	547.110129	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Cl+NaCOOH"	102.956829
"919143"	557.138886	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M-H+CF3COOH"	112.985586
"1300225"	593.115564	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Cl+CF3COOH"	148.962264
"1368302"	409.140624	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H-2H2O"	-35.012676
"1383247"	427.1506	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H-H2O"	-17.0027
"286823"	889.313876	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+H"	1.007276
"679243"	1333.467176	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+H"	1.007276
"1356687"	445.160576	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H"	1.007276
"128847"	445.160576	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+2H"	2.014552
"568765"	667.237226	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+2H"	2.014552
"1040483"	223.083926	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2H"	2.014552
"208021"	297.109476	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+3H"	3.021828
"647215"	445.160576	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+3H"	3.021828
"1167892"	149.058376	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+3H"	3.021828
"434446"	906.340423	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+NH4"	18.033823
"789244"	1350.493723	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+NH4"	18.033823
"1683025"	462.187123	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+NH4"	18.033823
"335310"	453.6738495	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+H+NH4"	19.041099
"727732"	675.7504995	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+H+NH4"	19.041099
"1483738"	231.5971995	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H+NH4"	19.041099
"398044"	911.295818	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+Na"	22.989218
"759405"	1355.449118	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+Na"	22.989218
"1604107"	467.142518	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Na"	22.989218
"317545"	456.151547	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+H+Na"	23.996494
"721276"	678.228197	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+H+Na"	23.996494
"1469262"	234.074897	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H+Na"	23.996494
"1068070"	156.38569	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2H+Na"	25.00377
"1271973"	477.186786	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+CH3OH+H"	33.033486
"392576"	927.269758	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+K"	38.963158
"750324"	1371.423058	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+K"	38.963158
"1550188"	483.116458	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+K"	38.963158
"307365"	464.138517	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+H+K"	39.970434
"696504"	686.215167	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+H+K"	39.970434
"1451416"	242.061867	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H+K"	39.970434
"239287"	930.340426	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+ACN+H"	42.033826
"1216366"	486.187126	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+ACN+H"	42.033826
"1201707"	243.597201	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+ACN+2H"	43.041102
"193851"	933.27776	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+2Na-H"	44.97116
"633413"	1377.43106	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+2Na-H"	44.97116
"1139469"	489.12446	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2Na-H"	44.97116
"188412"	467.142518	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+2Na"	45.978436
"626712"	689.219168	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+2Na"	45.978436
"1129483"	245.065868	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2Na"	45.978436
"1405716"	163.713004	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H+2Na"	46.985712
"1442203"	491.166046	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H+HCOOH"	47.012746
"227525"	472.17554	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+3H2O+2H"	56.04448
"1514859"	505.21809	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+IsoProp+H"	61.06479
"415271"	475.129488	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+Na+K"	61.952376
"777361"	697.206138	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+Na+K"	61.952376
"1675885"	253.052838	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Na+K"	61.952376
"261313"	952.322368	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+ACN+Na"	64.015768
"1235112"	508.169068	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+ACN+Na"	64.015768
"1721813"	508.192593	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+NH4+HCOOH"	64.039293
"1183886"	171.040318	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+3Na"	68.967654
"1657057"	513.147988	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Na+HCOOH"	68.994688
"163918"	965.22564	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+2K-H"	76.91904
"600564"	1409.37894	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+2K-H"	76.91904
"1086537"	521.07234	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2K-H"	76.91904
"142865"	483.116458	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"2M+2K"	77.926316
"584733"	705.193108	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"3M+2K"	77.926316
"1072169"	261.039808	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2K"	77.926316
"1105379"	523.086892	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2K+H"	78.933592
"1339578"	523.174507	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+DMSO+H"	79.021207
"1017591"	527.213676	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2ACN+H"	83.060376
"1536811"	528.207308	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+IsoProp+Na+H"	84.054008
"1002894"	264.110476	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+2ACN+2H"	84.067652
"1602638"	529.121928	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+K+HCOOH"	84.968628
"1428894"	559.153438	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+H+CF3COOH"	115.000138
"1162424"	284.623751	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+3ACN+2H"	125.094202
"1712693"	576.179985	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+NH4+CF3COOH"	132.026685
"1648757"	581.13538	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+Na+CF3COOH"	136.98208
"1578210"	597.10932	"C06973"	"Doxycycline"	"C22H24N2O8"	"444.1533"	"M+K+CF3COOH"	152.95602
"814045"	256.1136	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M"	0
"982110"	237.09521	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-H2O-H"	-19.01839
"68167"	169.735124	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M-3H"	-3.021828
"517817"	255.106324	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M-3H"	-3.021828
"888813"	84.363924	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-3H"	-3.021828
"10668"	255.106324	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M-2H"	-2.014552
"448040"	383.163124	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M-2H"	-2.014552
"824751"	127.049524	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-2H"	-2.014552
"82555"	511.219924	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M-H"	-1.007276
"526495"	767.333524	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M-H"	-1.007276
"905389"	255.106324	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-H"	-1.007276
"54297"	528.246471	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M-2H+NH4"	16.019271
"492033"	784.360071	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M-2H+NH4"	16.019271
"878224"	272.132871	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-2H+NH4"	16.019271
"38467"	533.201866	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M-2H+Na"	20.974666
"480218"	789.315466	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M-2H+Na"	20.974666
"855832"	277.088266	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-2H+Na"	20.974666
"1622812"	277.088266	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Na-2H"	20.974666
"95696"	273.094663	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M-H+Cl"	33.962126
"535984"	401.151463	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M-H+Cl"	33.962126
"929130"	145.037863	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-H+Cl"	33.962126
"270237"	547.196602	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+Cl"	34.969402
"663025"	803.310202	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+Cl"	34.969402
"1276523"	291.083002	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Cl"	34.969402
"19809"	549.175806	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M-2H+K"	36.948606
"461555"	805.289406	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M-2H+K"	36.948606
"836078"	293.062206	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-2H+K"	36.948606
"1557015"	293.062206	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+K-2H"	36.948606
"946359"	301.111794	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-H+HCOOH"	44.998194
"365667"	557.225401	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+HCOOH-H"	44.998201
"348455"	571.241051	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+Hac-H"	59.013851
"1496193"	315.127451	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Hac-H"	59.013851
"964831"	323.093751	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-H+NaCOOH"	66.980151
"114832"	291.083002	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+2Cl"	69.938804
"560956"	419.139802	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+2Cl"	69.938804
"1027567"	163.026202	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2Cl"	69.938804
"1255534"	335.032485	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Br"	78.918885
"1315072"	337.088472	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Cl+HCOOH"	80.974872
"1329288"	359.070429	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Cl+NaCOOH"	102.956829
"918160"	369.099186	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M-H+CF3COOH"	112.985586
"1295963"	405.075864	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Cl+CF3COOH"	148.962264
"1368048"	221.100924	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H-2H2O"	-35.012676
"1383033"	239.1109	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H-H2O"	-17.0027
"286933"	513.234476	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+H"	1.007276
"677167"	769.348076	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+H"	1.007276
"1356797"	257.120876	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H"	1.007276
"129321"	257.120876	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+2H"	2.014552
"569604"	385.177676	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+2H"	2.014552
"1039137"	129.064076	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2H"	2.014552
"207402"	171.749676	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+3H"	3.021828
"647690"	257.120876	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+3H"	3.021828
"1168002"	86.378476	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+3H"	3.021828
"431641"	530.261023	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+NH4"	18.033823
"788624"	786.374623	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+NH4"	18.033823
"1683499"	274.147423	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+NH4"	18.033823
"334327"	265.6341495	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+H+NH4"	19.041099
"730029"	393.6909495	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+H+NH4"	19.041099
"1483484"	137.5773495	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H+NH4"	19.041099
"397425"	535.216418	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+Na"	22.989218
"759150"	791.330018	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+Na"	22.989218
"1605794"	279.102818	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Na"	22.989218
"316193"	268.111847	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+H+Na"	23.996494
"717742"	396.168647	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+H+Na"	23.996494
"1468279"	140.055047	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H+Na"	23.996494
"1068094"	93.70579	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2H+Na"	25.00377
"1271839"	289.147086	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+CH3OH+H"	33.033486
"392605"	551.190358	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+K"	38.963158
"751528"	807.303958	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+K"	38.963158
"1551392"	295.076758	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+K"	38.963158
"306381"	276.098817	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+H+K"	39.970434
"696614"	404.155617	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+H+K"	39.970434
"1448246"	148.042017	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H+K"	39.970434
"241218"	554.261026	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+ACN+H"	42.033826
"1215382"	298.147426	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+ACN+H"	42.033826
"1199631"	149.577351	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+ACN+2H"	43.041102
"194326"	557.19836	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+2Na-H"	44.97116
"634252"	813.31196	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+2Na-H"	44.97116
"1136299"	301.08476	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2Na-H"	44.97116
"187986"	279.102818	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+2Na"	45.978436
"627306"	407.159618	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+2Na"	45.978436
"1127771"	151.046018	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2Na"	45.978436
"1403640"	101.033104	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H+2Na"	46.985712
"1440127"	303.126346	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H+HCOOH"	47.012746
"228728"	284.13584	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+3H2O+2H"	56.04448
"1517884"	317.17839	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+IsoProp+H"	61.06479
"415381"	287.089788	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+Na+K"	61.952376
"777472"	415.146588	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+Na+K"	61.952376
"1674902"	159.032988	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Na+K"	61.952376
"258144"	576.242968	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+ACN+Na"	64.015768
"1233036"	320.129368	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+ACN+Na"	64.015768
"1718644"	320.152893	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+NH4+HCOOH"	64.039293
"1183996"	108.360418	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+3Na"	68.967654
"1656074"	325.108288	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Na+HCOOH"	68.994688
"163298"	589.14624	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+2K-H"	76.91904
"601767"	845.25984	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+2K-H"	76.91904
"1087737"	333.03264	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2K-H"	76.91904
"143094"	295.076758	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"2M+2K"	77.926316
"583751"	423.133558	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"3M+2K"	77.926316
"1071186"	167.019958	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2K"	77.926316
"1104396"	335.047192	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2K+H"	78.933592
"1339688"	335.134807	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+DMSO+H"	79.021207
"1015879"	339.173976	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2ACN+H"	83.060376
"1535098"	340.167608	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+IsoProp+Na+H"	84.054008
"1001546"	170.090626	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+2ACN+2H"	84.067652
"1602383"	341.082228	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+K+HCOOH"	84.968628
"1428640"	371.113738	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+H+CF3COOH"	115.000138
"1160752"	190.603901	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+3ACN+2H"	125.094202
"1711395"	388.140285	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+NH4+CF3COOH"	132.026685
"1647044"	393.09568	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+Na+CF3COOH"	136.98208
"1578320"	409.06962	"C06975"	"Echothiophate"	"C9H23NO3PS"	"256.1136"	"M+K+CF3COOH"	152.95602
"814155"	166.1232	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M"	0
"982220"	147.10481	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-H2O-H"	-19.01839
"68277"	109.741524	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M-3H"	-3.021828
"516588"	165.115924	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M-3H"	-3.021828
"892204"	54.367124	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-3H"	-3.021828
"11871"	165.115924	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M-2H"	-2.014552
"444870"	248.177524	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M-2H"	-2.014552
"825954"	82.054324	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-2H"	-2.014552
"82665"	331.239124	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M-H"	-1.007276
"521494"	497.362324	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M-H"	-1.007276
"902213"	165.115924	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-H"	-1.007276
"53309"	348.265671	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M-2H+NH4"	16.019271
"492870"	514.388871	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M-2H+NH4"	16.019271
"871764"	182.142471	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-2H+NH4"	16.019271
"33223"	353.221066	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M-2H+Na"	20.974666
"472052"	519.344266	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M-2H+Na"	20.974666
"851192"	187.097866	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-2H+Na"	20.974666
"1627656"	187.097866	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Na-2H"	20.974666
"99814"	183.104263	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M-H+Cl"	33.962126
"541560"	266.165863	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M-H+Cl"	33.962126
"933979"	100.042663	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-H+Cl"	33.962126
"278003"	367.215802	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+Cl"	34.969402
"662036"	533.339002	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+Cl"	34.969402
"1279547"	201.092602	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Cl"	34.969402
"19915"	369.195006	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M-2H+K"	36.948606
"458377"	535.318206	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M-2H+K"	36.948606
"835087"	203.071806	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-2H+K"	36.948606
"1556752"	203.071806	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+K-2H"	36.948606
"944632"	211.121394	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-H+HCOOH"	44.998194
"369057"	377.244601	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+HCOOH-H"	44.998201
"348565"	391.260251	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+Hac-H"	59.013851
"1495210"	225.137051	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Hac-H"	59.013851
"966035"	233.103351	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-H+NaCOOH"	66.980151
"114942"	201.092602	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+2Cl"	69.938804
"561066"	284.154202	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+2Cl"	69.938804
"1026584"	118.031002	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2Cl"	69.938804
"1252725"	245.042085	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Br"	78.918885
"1318827"	247.098072	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Cl+HCOOH"	80.974872
"1328304"	269.080029	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Cl+NaCOOH"	102.956829
"918269"	279.108786	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M-H+CF3COOH"	112.985586
"1297165"	315.085464	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Cl+CF3COOH"	148.962264
"1369131"	131.110524	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H-2H2O"	-35.012676
"1389543"	149.1205	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H-H2O"	-17.0027
"292510"	333.253676	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+H"	1.007276
"677277"	499.376876	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+H"	1.007276
"1353261"	167.130476	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H"	1.007276
"126515"	167.130476	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+2H"	2.014552
"566803"	250.192076	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+2H"	2.014552
"1039611"	84.068876	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2H"	2.014552
"208972"	111.756076	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+3H"	3.021828
"648894"	167.130476	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+3H"	3.021828
"1170301"	56.381676	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+3H"	3.021828
"434667"	350.280223	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+NH4"	18.033823
"789830"	516.403423	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+NH4"	18.033823
"1687620"	184.157023	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+NH4"	18.033823
"333343"	175.6437495	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+H+NH4"	19.041099
"729409"	258.7053495	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+H+NH4"	19.041099
"1481407"	92.5821495	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H+NH4"	19.041099
"400087"	355.235618	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+Na"	22.989218
"760720"	521.358818	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+Na"	22.989218
"1605543"	189.112418	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Na"	22.989218
"317397"	178.121447	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+H+Na"	23.996494
"714570"	261.183047	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+H+Na"	23.996494
"1466203"	95.059847	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H+Na"	23.996494
"1068484"	63.70899	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2H+Na"	25.00377
"1272316"	199.156686	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+CH3OH+H"	33.033486
"392427"	371.209558	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+K"	38.963158
"751638"	537.332758	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+K"	38.963158
"1550409"	205.086358	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+K"	38.963158
"307588"	186.108417	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+H+K"	39.970434
"701100"	269.170017	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+H+K"	39.970434
"1453825"	103.046817	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H+K"	39.970434
"243521"	374.280226	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+ACN+H"	42.033826
"1215134"	208.157026	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+ACN+H"	42.033826
"1199379"	104.582151	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+ACN+2H"	43.041102
"194070"	377.21756	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+2Na-H"	44.97116
"633998"	543.34076	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+2Na-H"	44.97116
"1139325"	211.09436	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2Na-H"	44.97116
"184810"	189.112418	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+2Na"	45.978436
"622923"	272.174018	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+2Na"	45.978436
"1130313"	106.050818	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2Na"	45.978436
"1405938"	71.036304	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H+2Na"	46.985712
"1441332"	213.135946	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H+HCOOH"	47.012746
"232118"	194.14544	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+3H2O+2H"	56.04448
"1523220"	227.18799	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+IsoProp+H"	61.06479
"418772"	197.099388	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+Na+K"	61.952376
"778311"	280.160988	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+Na+K"	61.952376
"1675013"	114.037788	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Na+K"	61.952376
"254975"	396.262168	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+ACN+Na"	64.015768
"1232417"	230.138968	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+ACN+Na"	64.015768
"1723121"	230.162493	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+NH4+HCOOH"	64.039293
"1189569"	78.363618	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+3Na"	68.967654
"1661648"	235.117888	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Na+HCOOH"	68.994688
"164139"	409.16544	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+2K-H"	76.91904
"602970"	575.28864	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+2K-H"	76.91904
"1090033"	243.04224	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2K-H"	76.91904
"146120"	205.086358	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"2M+2K"	77.926316
"582405"	288.147958	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"3M+2K"	77.926316
"1070194"	122.024758	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2K"	77.926316
"1102310"	245.056792	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2K+H"	78.933592
"1338705"	245.144407	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+DMSO+H"	79.021207
"1014895"	249.183576	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2ACN+H"	83.060376
"1534115"	250.177208	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+IsoProp+Na+H"	84.054008
"999469"	125.095426	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+2ACN+2H"	84.067652
"1601268"	251.091828	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+K+HCOOH"	84.968628
"1428385"	281.123338	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+H+CF3COOH"	115.000138
"1162607"	145.608701	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+3ACN+2H"	125.094202
"1712439"	298.149885	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+NH4+CF3COOH"	132.026685
"1647154"	303.10528	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+Na+CF3COOH"	136.98208
"1578430"	319.07922	"C06976"	"Edrophonium"	"C10H16NO"	"166.1232"	"M+K+CF3COOH"	152.95602
"814265"	376.1998	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M"	0
"982330"	357.18141	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-H2O-H"	-19.01839
"65107"	249.792590666667	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M-3H"	-3.021828
"504663"	375.192524	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M-3H"	-3.021828
"881369"	124.392657333333	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-3H"	-3.021828
"1043"	375.192524	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M-2H"	-2.014552
"442790"	563.292424	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M-2H"	-2.014552
"826064"	187.092624	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-2H"	-2.014552
"82775"	751.392324	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M-H"	-1.007276
"521604"	1127.592124	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M-H"	-1.007276
"902323"	375.192524	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-H"	-1.007276
"53419"	768.418871	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M-2H+NH4"	16.019271
"490426"	1144.618671	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M-2H+NH4"	16.019271
"869322"	392.219071	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-2H+NH4"	16.019271
"35034"	773.374266	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M-2H+Na"	20.974666
"472772"	1149.574066	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M-2H+Na"	20.974666
"851303"	397.174466	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-2H+Na"	20.974666
"1626673"	397.174466	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Na-2H"	20.974666
"98831"	393.180863	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M-H+Cl"	33.962126
"541670"	581.280763	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M-H+Cl"	33.962126
"934089"	205.080963	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-H+Cl"	33.962126
"277020"	787.369002	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+Cl"	34.969402
"662877"	1163.568802	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+Cl"	34.969402
"1279657"	411.169202	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Cl"	34.969402
"19295"	789.348206	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M-2H+K"	36.948606
"458852"	1165.548006	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M-2H+K"	36.948606
"835560"	413.148406	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-2H+K"	36.948606
"1557228"	413.148406	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+K-2H"	36.948606
"944016"	421.197994	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-H+HCOOH"	44.998194
"369167"	797.397801	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+HCOOH-H"	44.998201
"351955"	811.413451	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+Hac-H"	59.013851
"1496413"	435.213651	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Hac-H"	59.013851
"963958"	443.179951	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-H+NaCOOH"	66.980151
"115052"	411.169202	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+2Cl"	69.938804
"561176"	599.269102	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+2Cl"	69.938804
"1026693"	223.069302	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2Cl"	69.938804
"1252835"	455.118685	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Br"	78.918885
"1318566"	457.174672	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Cl+HCOOH"	80.974872
"1327320"	479.156629	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Cl+NaCOOH"	102.956829
"919473"	489.185386	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M-H+CF3COOH"	112.985586
"1296181"	525.162064	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Cl+CF3COOH"	148.962264
"1373250"	341.187124	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H-2H2O"	-35.012676
"1392933"	359.1971	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H-H2O"	-17.0027
"290433"	753.406876	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+H"	1.007276
"683947"	1129.606676	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+H"	1.007276
"1352278"	377.207076	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H"	1.007276
"127718"	377.207076	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+2H"	2.014552
"568005"	565.306976	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+2H"	2.014552
"1039720"	189.107176	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2H"	2.014552
"208717"	251.807142666667	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+3H"	3.021828
"650097"	377.207076	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+3H"	3.021828
"1171504"	126.407209333333	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+3H"	3.021828
"435870"	770.433423	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+NH4"	18.033823
"788845"	1146.633223	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+NH4"	18.033823
"1686270"	394.233623	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+NH4"	18.033823
"332726"	385.7203495	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+H+NH4"	19.041099
"729520"	573.8202495	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+H+NH4"	19.041099
"1481518"	197.6204495	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H+NH4"	19.041099
"398741"	775.388818	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+Na"	22.989218
"759736"	1151.588618	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+Na"	22.989218
"1604560"	399.189018	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Na"	22.989218
"317873"	388.198047	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+H+Na"	23.996494
"711401"	576.297947	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+H+Na"	23.996494
"1465220"	200.098147	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H+Na"	23.996494
"1063937"	133.734523333333	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2H+Na"	25.00377
"1270604"	409.233286	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+CH3OH+H"	33.033486
"389297"	791.362758	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+K"	38.963158
"751020"	1167.562558	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+K"	38.963158
"1548333"	415.162958	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+K"	38.963158
"309159"	396.185017	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+H+K"	39.970434
"697932"	584.284917	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+H+K"	39.970434
"1453935"	208.085117	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H+K"	39.970434
"242538"	794.433426	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+ACN+H"	42.033826
"1215244"	418.233626	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+ACN+H"	42.033826
"1198396"	209.620451	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+ACN+2H"	43.041102
"195274"	797.37076	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+2Na-H"	44.97116
"634837"	1173.57056	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+2Na-H"	44.97116
"1137977"	421.17096	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2Na-H"	44.97116
"184920"	399.189018	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+2Na"	45.978436
"623761"	587.288918	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+2Na"	45.978436
"1129573"	211.089118	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2Na"	45.978436
"1406049"	141.061837333333	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H+2Na"	46.985712
"1435976"	423.212546	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H+HCOOH"	47.012746
"227855"	404.22204	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+3H2O+2H"	56.04448
"1522113"	437.26459	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+IsoProp+H"	61.06479
"416694"	407.175988	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+Na+K"	61.952376
"776597"	595.275888	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+Na+K"	61.952376
"1674027"	219.076088	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Na+K"	61.952376
"257271"	816.415368	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+ACN+Na"	64.015768
"1231434"	440.215568	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+ACN+Na"	64.015768
"1722138"	440.239093	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+NH4+HCOOH"	64.039293
"1189679"	148.389151333333	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+3Na"	68.967654
"1660304"	445.194488	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Na+HCOOH"	68.994688
"167527"	829.31864	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+2K-H"	76.91904
"603080"	1205.51844	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+2K-H"	76.91904
"1088321"	453.11884	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2K-H"	76.91904
"145501"	415.162958	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"2M+2K"	77.926316
"587980"	603.262858	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"3M+2K"	77.926316
"1071397"	227.063058	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2K"	77.926316
"1106794"	455.133392	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2K+H"	78.933592
"1339908"	455.221007	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+DMSO+H"	79.021207
"1015005"	459.260176	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2ACN+H"	83.060376
"1535319"	460.253808	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+IsoProp+Na+H"	84.054008
"1000673"	230.133726	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+2ACN+2H"	84.067652
"1601740"	461.168428	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+K+HCOOH"	84.968628
"1427037"	491.199938	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+H+CF3COOH"	115.000138
"1161703"	250.647001	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+3ACN+2H"	125.094202
"1711252"	508.226485	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+NH4+CF3COOH"	132.026685
"1647264"	513.18188	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+Na+CF3COOH"	136.98208
"1578540"	529.15582	"C06977"	"Enalapril"	"C20H28N2O5"	"376.1998"	"M+K+CF3COOH"	152.95602
"812188"	352.2151	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M"	0
"982440"	333.19671	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-H2O-H"	-19.01839
"65217"	233.802790666667	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M-3H"	-3.021828
"504044"	351.207824	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M-3H"	-3.021828
"880508"	116.397757333333	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-3H"	-3.021828
"1153"	351.207824	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M-2H"	-2.014552
"442898"	527.315374	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M-2H"	-2.014552
"826174"	175.100274	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-2H"	-2.014552
"82885"	703.422924	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M-H"	-1.007276
"519889"	1055.638024	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M-H"	-1.007276
"901340"	351.207824	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-H"	-1.007276
"53529"	720.449471	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M-2H+NH4"	16.019271
"490172"	1072.664571	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M-2H+NH4"	16.019271
"869796"	368.234371	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-2H+NH4"	16.019271
"34050"	725.404866	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M-2H+Na"	20.974666
"474340"	1077.619966	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M-2H+Na"	20.974666
"851413"	373.189766	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-2H+Na"	20.974666
"1627876"	373.189766	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Na-2H"	20.974666
"100034"	369.196163	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M-H+Cl"	33.962126
"541780"	545.303713	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M-H+Cl"	33.962126
"935292"	193.088613	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-H+Cl"	33.962126
"278223"	739.399602	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+Cl"	34.969402
"662987"	1091.614702	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+Cl"	34.969402
"1279767"	387.184502	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Cl"	34.969402
"20134"	741.378806	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M-2H+K"	36.948606
"458962"	1093.593906	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M-2H+K"	36.948606
"835671"	389.163706	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-2H+K"	36.948606
"1558434"	389.163706	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+K-2H"	36.948606
"945586"	397.213294	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-H+HCOOH"	44.998194
"364896"	749.428401	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+HCOOH-H"	44.998201
"354246"	763.444051	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+Hac-H"	59.013851
"1498705"	411.228951	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Hac-H"	59.013851
"964058"	419.195251	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-H+NaCOOH"	66.980151
"110539"	387.184502	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+2Cl"	69.938804
"550464"	563.292052	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+2Cl"	69.938804
"1022782"	211.076952	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2Cl"	69.938804
"1243455"	431.133985	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Br"	78.918885
"1306636"	433.189972	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Cl+HCOOH"	80.974872
"1327429"	455.171929	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Cl+NaCOOH"	102.956829
"921769"	465.200686	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M-H+CF3COOH"	112.985586
"1295198"	501.177364	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Cl+CF3COOH"	148.962264
"1375546"	317.202424	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H-2H2O"	-35.012676
"1386483"	335.2124	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H-H2O"	-17.0027
"286170"	705.437476	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+H"	1.007276
"676766"	1057.652576	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+H"	1.007276
"1353117"	353.222376	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H"	1.007276
"128193"	353.222376	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+2H"	2.014552
"567024"	529.329926	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+2H"	2.014552
"1038373"	177.114826	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2H"	2.014552
"205545"	235.817342666667	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+3H"	3.021828
"647292"	353.222376	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+3H"	3.021828
"1171249"	118.412309333333	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+3H"	3.021828
"435980"	722.464023	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+NH4"	18.033823
"788591"	1074.679123	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+NH4"	18.033823
"1686380"	370.248923	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+NH4"	18.033823
"332472"	361.7356495	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+H+NH4"	19.041099
"727444"	537.8431995	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+H+NH4"	19.041099
"1481264"	185.6280995	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H+NH4"	19.041099
"397759"	727.419418	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+Na"	22.989218
"763125"	1079.634518	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+Na"	22.989218
"1605764"	375.204318	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Na"	22.989218
"317983"	364.213347	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+H+Na"	23.996494
"713697"	540.320897	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+H+Na"	23.996494
"1464600"	188.105797	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H+Na"	23.996494
"1061860"	125.739623333333	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2H+Na"	25.00377
"1265729"	385.248586	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+CH3OH+H"	33.033486
"387583"	743.393358	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+K"	38.963158
"746390"	1095.608458	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+K"	38.963158
"1552814"	391.178258	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+K"	38.963158
"307808"	372.200317	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+H+K"	39.970434
"699133"	548.307867	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+H+K"	39.970434
"1451858"	196.092767	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H+K"	39.970434
"240822"	746.464026	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+ACN+H"	42.033826
"1216447"	394.248926	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+ACN+H"	42.033826
"1198506"	197.628101	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+ACN+2H"	43.041102
"196477"	749.40136	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+2Na-H"	44.97116
"633854"	1101.61646	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+2Na-H"	44.97116
"1137359"	397.18626	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2Na-H"	44.97116
"185030"	375.204318	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+2Na"	45.978436
"625692"	551.311868	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+2Na"	45.978436
"1129074"	199.096768	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2Na"	45.978436
"1409440"	133.066937333333	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H+2Na"	46.985712
"1434994"	399.227846	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H+HCOOH"	47.012746
"229057"	380.23734	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+3H2O+2H"	56.04448
"1520400"	413.27989	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+IsoProp+H"	61.06479
"414983"	383.191288	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+Na+K"	61.952376
"777071"	559.298838	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+Na+K"	61.952376
"1670857"	207.083738	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Na+K"	61.952376
"257379"	768.445968	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+ACN+Na"	64.015768
"1231180"	416.230868	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+ACN+Na"	64.015768
"1719334"	416.254393	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+NH4+HCOOH"	64.039293
"1187603"	140.394251333333	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+3Na"	68.967654
"1658589"	421.209788	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Na+HCOOH"	68.994688
"166544"	781.34924	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+2K-H"	76.91904
"600639"	1133.56434	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+2K-H"	76.91904
"1086976"	429.13414	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2K-H"	76.91904
"143428"	391.178258	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"2M+2K"	77.926316
"585901"	567.285808	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"3M+2K"	77.926316
"1073696"	215.070708	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2K"	77.926316
"1104718"	431.148692	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2K+H"	78.933592
"1340017"	431.236307	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+DMSO+H"	79.021207
"1012929"	435.275476	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2ACN+H"	83.060376
"1534336"	436.269108	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+IsoProp+Na+H"	84.054008
"1000783"	218.141376	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+2ACN+2H"	84.067652
"1600757"	437.183728	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+K+HCOOH"	84.968628
"1427147"	467.215238	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+H+CF3COOH"	115.000138
"1162177"	238.654651	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+3ACN+2H"	125.094202
"1711362"	484.241785	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+NH4+CF3COOH"	132.026685
"1647374"	489.19718	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+Na+CF3COOH"	136.98208
"1578650"	505.17112	"C06978"	"Encainide"	"C22H28N2O2"	"352.2151"	"M+K+CF3COOH"	152.95602
"812298"	320.1285	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M"	0
"982550"	301.11011	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-H2O-H"	-19.01839
"65327"	212.411724	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M-3H"	-3.021828
"504155"	319.121224	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M-3H"	-3.021828
"883778"	105.702224	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-3H"	-3.021828
"1627"	319.121224	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M-2H"	-2.014552
"443008"	479.185474	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M-2H"	-2.014552
"821180"	159.056974	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-2H"	-2.014552
"79712"	639.249724	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M-H"	-1.007276
"520360"	959.378224	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M-H"	-1.007276
"896950"	319.121224	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-H"	-1.007276
"52543"	656.276271	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M-2H+NH4"	16.019271
"488823"	976.404771	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M-2H+NH4"	16.019271
"866990"	336.147771	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-2H+NH4"	16.019271
"34646"	661.231666	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M-2H+Na"	20.974666
"473963"	981.360166	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M-2H+Na"	20.974666
"848806"	341.103166	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-2H+Na"	20.974666
"1627986"	341.103166	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Na-2H"	20.974666
"103424"	337.109563	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M-H+Cl"	33.962126
"541890"	497.173813	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M-H+Cl"	33.962126
"935402"	177.045313	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-H+Cl"	33.962126
"278333"	675.226402	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+Cl"	34.969402
"662004"	995.354902	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+Cl"	34.969402
"1279877"	355.097902	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Cl"	34.969402
"18422"	677.205606	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M-2H+K"	36.948606
"458341"	997.334106	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M-2H+K"	36.948606
"835052"	357.077106	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-2H+K"	36.948606
"1558180"	357.077106	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+K-2H"	36.948606
"946425"	365.126694	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-H+HCOOH"	44.998194
"365006"	685.255201	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+HCOOH-H"	44.998201
"355449"	699.270851	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+Hac-H"	59.013851
"1498815"	379.142351	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Hac-H"	59.013851
"965261"	387.108651	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-H+NaCOOH"	66.980151
"110887"	355.097902	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+2Cl"	69.938804
"550939"	515.162152	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+2Cl"	69.938804
"1023256"	195.033652	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2Cl"	69.938804
"1243929"	399.047385	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Br"	78.918885
"1306135"	401.103372	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Cl+HCOOH"	80.974872
"1320711"	423.085329	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Cl+NaCOOH"	102.956829
"919683"	433.114086	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M-H+CF3COOH"	112.985586
"1299673"	469.090764	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Cl+CF3COOH"	148.962264
"1381848"	285.115824	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H-2H2O"	-35.012676
"1392055"	303.1258	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H-H2O"	-17.0027
"296479"	641.264276	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+H"	1.007276
"687808"	961.392776	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+H"	1.007276
"1360512"	321.135776	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H"	1.007276
"139595"	321.135776	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+2H"	2.014552
"577336"	481.200026	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+2H"	2.014552
"1050510"	161.071526	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2H"	2.014552
"210028"	214.426276	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+3H"	3.021828
"649224"	321.135776	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+3H"	3.021828
"1168078"	107.716776	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+3H"	3.021828
"430258"	658.290823	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+NH4"	18.033823
"791251"	978.419323	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+NH4"	18.033823
"1691227"	338.162323	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+NH4"	18.033823
"334768"	329.6490495	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+H+NH4"	19.041099
"728648"	489.7132995	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+H+NH4"	19.041099
"1483561"	169.5847995	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H+NH4"	19.041099
"397139"	663.246218	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+Na"	22.989218
"759956"	983.374718	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+Na"	22.989218
"1608056"	343.117718	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Na"	22.989218
"318090"	332.126747	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+H+Na"	23.996494
"710518"	492.190997	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+H+Na"	23.996494
"1462152"	172.062497	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H+Na"	23.996494
"1053335"	115.04409	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2H+Na"	25.00377
"1258659"	353.161986	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+CH3OH+H"	33.033486
"377599"	679.220158	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+K"	38.963158
"747593"	999.348658	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+K"	38.963158
"1546363"	359.091658	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+K"	38.963158
"305729"	340.113717	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+H+K"	39.970434
"698149"	500.177967	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+H+K"	39.970434
"1448686"	180.049467	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H+K"	39.970434
"238746"	682.290826	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+ACN+H"	42.033826
"1211817"	362.162326	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+ACN+H"	42.033826
"1196066"	181.584801	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+ACN+2H"	43.041102
"189901"	685.22816	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+2Na-H"	44.97116
"631778"	1005.35666	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+2Na-H"	44.97116
"1134189"	365.09966	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2Na-H"	44.97116
"184047"	343.117718	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+2Na"	45.978436
"625800"	503.181968	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+2Na"	45.978436
"1127118"	183.053468	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2Na"	45.978436
"1408457"	122.371404	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H+2Na"	46.985712
"1437290"	367.141246	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H+HCOOH"	47.012746
"226980"	348.15074	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+3H2O+2H"	56.04448
"1519417"	381.19329	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+IsoProp+H"	61.06479
"413635"	351.104688	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+Na+K"	61.952376
"776819"	511.168938	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+Na+K"	61.952376
"1670238"	191.040438	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Na+K"	61.952376
"257489"	704.272768	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+ACN+Na"	64.015768
"1232384"	384.144268	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+ACN+Na"	64.015768
"1719080"	384.167793	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+NH4+HCOOH"	64.039293
"1185527"	129.698718	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+3Na"	68.967654
"1657606"	389.123188	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Na+HCOOH"	68.994688
"166655"	717.17604	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+2K-H"	76.91904
"599776"	1037.30454	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+2K-H"	76.91904
"1086357"	397.04754	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2K-H"	76.91904
"142808"	359.091658	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"2M+2K"	77.926316
"584918"	519.155908	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"3M+2K"	77.926316
"1071620"	199.027408	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2K"	77.926316
"1102642"	399.062092	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2K+H"	78.933592
"1339027"	399.149707	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+DMSO+H"	79.021207
"1013039"	403.188876	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2ACN+H"	83.060376
"1537726"	404.182508	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+IsoProp+Na+H"	84.054008
"1000893"	202.098076	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+2ACN+2H"	84.067652
"1600867"	405.097128	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+K+HCOOH"	84.968628
"1427986"	435.128638	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+H+CF3COOH"	115.000138
"1162170"	222.611351	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+3ACN+2H"	125.094202
"1712445"	452.155185	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+NH4+CF3COOH"	132.026685
"1647484"	457.11058	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+Na+CF3COOH"	136.98208
"1578760"	473.08452	"C06979"	"Enoxacin"	"C15H17FN4O3"	"320.1285"	"M+K+CF3COOH"	152.95602
"812408"	295.1784	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M"	0
"985940"	276.16001	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-H2O-H"	-19.01839
"66530"	195.778324	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M-3H"	-3.021828
"504994"	294.171124	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M-3H"	-3.021828
"882795"	97.385524	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-3H"	-3.021828
"4652"	294.171124	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M-2H"	-2.014552
"444211"	441.760324	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M-2H"	-2.014552
"823113"	146.581924	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-2H"	-2.014552
"81645"	589.349524	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M-H"	-1.007276
"520231"	884.527924	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M-H"	-1.007276
"897303"	294.171124	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-H"	-1.007276
"53748"	606.376071	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M-2H+NH4"	16.019271
"490392"	901.554471	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M-2H+NH4"	16.019271
"866371"	311.197671	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-2H+NH4"	16.019271
"37187"	611.331466	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M-2H+Na"	20.974666
"473833"	906.509866	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M-2H+Na"	20.974666
"851633"	316.153066	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-2H+Na"	20.974666
"1623722"	316.153066	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Na-2H"	20.974666
"105721"	312.159463	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M-H+Cl"	33.962126
"544186"	459.748663	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M-H+Cl"	33.962126
"935512"	164.570263	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-H+Cl"	33.962126
"277349"	625.326202	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+Cl"	34.969402
"662478"	920.504602	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+Cl"	34.969402
"1279987"	330.147802	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Cl"	34.969402
"18532"	627.305406	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M-2H+K"	36.948606
"458087"	922.483806	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M-2H+K"	36.948606
"836621"	332.127006	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-2H+K"	36.948606
"1558290"	332.127006	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+K-2H"	36.948606
"952367"	340.176594	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-H+HCOOH"	44.998194
"368397"	635.355001	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+HCOOH-H"	44.998201
"357746"	649.370651	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+Hac-H"	59.013851
"1501111"	354.192251	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Hac-H"	59.013851
"968653"	362.158551	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-H+NaCOOH"	66.980151
"110759"	330.147802	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+2Cl"	69.938804
"553844"	477.737002	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+2Cl"	69.938804
"1023735"	182.558602	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2Cl"	69.938804
"1244408"	374.097285	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Br"	78.918885
"1306126"	376.153272	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Cl+HCOOH"	80.974872
"1320254"	398.135229	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Cl+NaCOOH"	102.956829
"920886"	408.163986	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M-H+CF3COOH"	112.985586
"1300876"	444.140664	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Cl+CF3COOH"	148.962264
"1381228"	260.165724	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H-2H2O"	-35.012676
"1398280"	278.1757	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H-H2O"	-17.0027
"298046"	591.364076	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+H"	1.007276
"688646"	886.542476	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+H"	1.007276
"1366756"	296.185676	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H"	1.007276
"140069"	296.185676	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+2H"	2.014552
"577445"	443.774876	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+2H"	2.014552
"1051836"	148.596476	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2H"	2.014552
"215244"	197.792876	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+3H"	3.021828
"653712"	296.185676	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+3H"	3.021828
"1171835"	99.400076	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+3H"	3.021828
"431098"	608.390623	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+NH4"	18.033823
"792819"	903.569023	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+NH4"	18.033823
"1692431"	313.212223	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+NH4"	18.033823
"336337"	304.6989495	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+H+NH4"	19.041099
"730945"	452.2881495	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+H+NH4"	19.041099
"1485858"	157.1097495	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H+NH4"	19.041099
"402351"	613.346018	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+Na"	22.989218
"763346"	908.524418	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+Na"	22.989218
"1610353"	318.167618	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Na"	22.989218
"321481"	307.176647	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+H+Na"	23.996494
"709536"	454.765847	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+H+Na"	23.996494
"1464452"	159.587447	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H+Na"	23.996494
"1053443"	106.72739	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2H+Na"	25.00377
"1262657"	328.211886	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+CH3OH+H"	33.033486
"378195"	629.319958	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+K"	38.963158
"741498"	924.498358	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+K"	38.963158
"1542821"	334.141558	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+K"	38.963158
"305841"	315.163617	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+H+K"	39.970434
"698259"	462.752817	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+H+K"	39.970434
"1452440"	167.574417	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H+K"	39.970434
"243957"	632.390626	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+ACN+H"	42.033826
"1214478"	337.212226	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+ACN+H"	42.033826
"1198726"	169.109751	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+ACN+2H"	43.041102
"190255"	635.32796	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+2Na-H"	44.97116
"632981"	930.50636	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+2Na-H"	44.97116
"1137576"	340.14956	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2Na-H"	44.97116
"185250"	318.167618	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+2Na"	45.978436
"622628"	465.756818	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+2Na"	45.978436
"1130387"	170.578418	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2Na"	45.978436
"1408567"	114.054704	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H+2Na"	46.985712
"1437400"	342.191146	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H+HCOOH"	47.012746
"227090"	323.20064	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+3H2O+2H"	56.04448
"1519527"	356.24319	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+IsoProp+H"	61.06479
"414838"	326.154588	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+Na+K"	61.952376
"778386"	473.743788	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+Na+K"	61.952376
"1670348"	178.565388	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Na+K"	61.952376
"254319"	654.372568	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+ACN+Na"	64.015768
"1228484"	359.194168	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+ACN+Na"	64.015768
"1720281"	359.217693	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+NH4+HCOOH"	64.039293
"1185634"	121.382018	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+3Na"	68.967654
"1657714"	364.173088	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Na+HCOOH"	68.994688
"165669"	667.27584	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+2K-H"	76.91904
"600130"	962.45424	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+2K-H"	76.91904
"1087558"	372.09744	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2K-H"	76.91904
"146561"	334.141558	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"2M+2K"	77.926316
"585031"	481.730758	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"3M+2K"	77.926316
"1071731"	186.552358	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2K"	77.926316
"1101656"	374.111992	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2K+H"	78.933592
"1338044"	374.199607	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+DMSO+H"	79.021207
"1014242"	378.238776	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2ACN+H"	83.060376
"1536743"	379.232408	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+IsoProp+Na+H"	84.054008
"998817"	189.623026	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+2ACN+2H"	84.067652
"1598791"	380.147028	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+K+HCOOH"	84.968628
"1426639"	410.178538	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+H+CF3COOH"	115.000138
"1162275"	210.136301	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+3ACN+2H"	125.094202
"1712311"	427.205085	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+NH4+CF3COOH"	132.026685
"1647594"	432.16048	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+Na+CF3COOH"	136.98208
"1578870"	448.13442	"C06980"	"Esmolol"	"C16H25NO4"	"295.1784"	"M+K+CF3COOH"	152.95602
"812518"	294.0672	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M"	0
"979490"	275.04881	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-H2O-H"	-19.01839
"64450"	195.037524	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M-3H"	-3.021828
"503319"	293.059924	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M-3H"	-3.021828
"880719"	97.015124	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-3H"	-3.021828
"2575"	293.059924	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M-2H"	-2.014552
"441042"	440.093524	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M-2H"	-2.014552
"823223"	146.026324	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-2H"	-2.014552
"80294"	587.127124	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M-H"	-1.007276
"520948"	881.194324	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M-H"	-1.007276
"896928"	293.059924	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-H"	-1.007276
"47660"	604.153671	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M-2H+NH4"	16.019271
"490137"	898.220871	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M-2H+NH4"	16.019271
"864533"	310.086471	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-2H+NH4"	16.019271
"33650"	609.109066	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M-2H+Na"	20.974666
"471706"	903.176266	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M-2H+Na"	20.974666
"848861"	315.041866	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-2H+Na"	20.974666
"1623832"	315.041866	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Na-2H"	20.974666
"105831"	311.048263	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M-H+Cl"	33.962126
"543203"	458.081863	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M-H+Cl"	33.962126
"932342"	164.014663	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-H+Cl"	33.962126
"276366"	623.103802	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+Cl"	34.969402
"660401"	917.171002	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+Cl"	34.969402
"1280097"	329.036602	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Cl"	34.969402
"16455"	625.083006	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M-2H+K"	36.948606
"458197"	919.150206	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M-2H+K"	36.948606
"834546"	331.015806	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-2H+K"	36.948606
"1555849"	331.015806	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+K-2H"	36.948606
"944823"	339.065394	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-H+HCOOH"	44.998194
"365227"	633.132601	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+HCOOH-H"	44.998201
"354576"	647.148251	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+Hac-H"	59.013851
"1502315"	353.081051	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Hac-H"	59.013851
"968763"	361.047351	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-H+NaCOOH"	66.980151
"110028"	329.036602	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+2Cl"	69.938804
"552861"	476.070202	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+2Cl"	69.938804
"1023848"	182.003002	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2Cl"	69.938804
"1244519"	372.986085	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Br"	78.918885
"1306600"	375.042072	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Cl+HCOOH"	80.974872
"1320443"	397.024029	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Cl+NaCOOH"	102.956829
"916623"	407.052786	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M-H+CF3COOH"	112.985586
"1300986"	443.029464	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Cl+CF3COOH"	148.962264
"1379880"	259.054524	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H-2H2O"	-35.012676
"1396647"	277.0645	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H-H2O"	-17.0027
"290863"	589.141676	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+H"	1.007276
"687661"	883.208876	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+H"	1.007276
"1364011"	295.074476	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H"	1.007276
"134712"	295.074476	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+2H"	2.014552
"576462"	442.108076	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+2H"	2.014552
"1051459"	148.040876	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2H"	2.014552
"213168"	197.052076	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+3H"	3.021828
"652729"	295.074476	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+3H"	3.021828
"1169759"	99.029676	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+3H"	3.021828
"431936"	606.168223	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+NH4"	18.033823
"792929"	900.235423	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+NH4"	18.033823
"1691447"	312.101023	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+NH4"	18.033823
"336447"	303.5877495	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+H+NH4"	19.041099
"731055"	450.6213495	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+H+NH4"	19.041099
"1484877"	156.5541495	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H+NH4"	19.041099
"402461"	611.123618	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+Na"	22.989218
"762363"	905.190818	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+Na"	22.989218
"1610463"	317.056418	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Na"	22.989218
"321591"	306.065447	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+H+Na"	23.996494
"711833"	453.099047	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+H+Na"	23.996494
"1464562"	159.031847	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H+Na"	23.996494
"1052858"	106.35699	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2H+Na"	25.00377
"1257456"	327.100686	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+CH3OH+H"	33.033486
"377246"	627.097558	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+K"	38.963158
"738850"	921.164758	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+K"	38.963158
"1540744"	333.030358	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+K"	38.963158
"307044"	314.052417	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+H+K"	39.970434
"698369"	461.086017	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+H+K"	39.970434
"1447813"	167.018817	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H+K"	39.970434
"237873"	630.168226	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+ACN+H"	42.033826
"1210944"	336.101026	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+ACN+H"	42.033826
"1196285"	168.554151	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+ACN+2H"	43.041102
"191339"	633.10556	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+2Na-H"	44.97116
"630904"	927.17276	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+2Na-H"	44.97116
"1133677"	339.03836	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2Na-H"	44.97116
"185360"	317.056418	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+2Na"	45.978436
"626018"	464.090018	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+2Na"	45.978436
"1128431"	170.022818	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2Na"	45.978436
"1408677"	113.684304	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H+2Na"	46.985712
"1434230"	341.079946	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H+HCOOH"	47.012746
"225012"	322.08944	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+3H2O+2H"	56.04448
"1516356"	355.13199	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+IsoProp+H"	61.06479
"414948"	325.043388	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+Na+K"	61.952376
"778130"	472.076988	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+Na+K"	61.952376
"1670094"	178.009788	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Na+K"	61.952376
"257709"	652.150168	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+ACN+Na"	64.015768
"1228594"	358.082968	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+ACN+Na"	64.015768
"1717477"	358.106493	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+NH4+HCOOH"	64.039293
"1186837"	121.011618	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+3Na"	68.967654
"1657825"	363.061888	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Na+HCOOH"	68.994688
"165780"	665.05344	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+2K-H"	76.91904
"600240"	959.12064	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+2K-H"	76.91904
"1086575"	370.98624	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2K-H"	76.91904
"144484"	333.030358	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"2M+2K"	77.926316
"585140"	480.063958	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"3M+2K"	77.926316
"1069286"	185.996758	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2K"	77.926316
"1100304"	373.000792	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2K+H"	78.933592
"1337424"	373.088407	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+DMSO+H"	79.021207
"1014352"	377.127576	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2ACN+H"	83.060376
"1533573"	378.121208	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+IsoProp+Na+H"	84.054008
"998926"	189.067426	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+2ACN+2H"	84.067652
"1599993"	379.035828	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+K+HCOOH"	84.968628
"1425656"	409.067338	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+H+CF3COOH"	115.000138
"1162551"	209.580701	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+3ACN+2H"	125.094202
"1712381"	426.093885	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+NH4+CF3COOH"	132.026685
"1647704"	431.04928	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+Na+CF3COOH"	136.98208
"1578980"	447.02322	"C06981"	"Estazolam"	"C16H11ClN4"	"294.0672"	"M+K+CF3COOH"	152.95602
"812628"	204.1838	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M"	0
"979600"	185.16541	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-H2O-H"	-19.01839
"67840"	135.115257333333	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M-3H"	-3.021828
"504120"	203.176524	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M-3H"	-3.021828
"881556"	67.0539906666667	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-3H"	-3.021828
"1593"	203.176524	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M-2H"	-2.014552
"441029"	305.268424	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M-2H"	-2.014552
"822240"	101.084624	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-2H"	-2.014552
"80405"	407.360324	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M-H"	-1.007276
"520695"	611.544124	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M-H"	-1.007276
"897767"	203.176524	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-H"	-1.007276
"49953"	424.386871	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M-2H+NH4"	16.019271
"488784"	628.570671	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M-2H+NH4"	16.019271
"866588"	220.203071	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-2H+NH4"	16.019271
"32906"	429.342266	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M-2H+Na"	20.974666
"472592"	633.526066	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M-2H+Na"	20.974666
"849782"	225.158466	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-2H+Na"	20.974666
"1621756"	225.158466	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Na-2H"	20.974666
"103753"	221.164863	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M-H+Cl"	33.962126
"542220"	323.256763	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M-H+Cl"	33.962126
"932453"	119.072963	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-H+Cl"	33.962126
"276478"	443.337002	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+Cl"	34.969402
"666710"	647.520802	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+Cl"	34.969402
"1279114"	239.153202	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Cl"	34.969402
"19485"	445.316206	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M-2H+K"	36.948606
"461231"	649.500006	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M-2H+K"	36.948606
"834657"	241.132406	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-2H+K"	36.948606
"1558146"	241.132406	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+K-2H"	36.948606
"943028"	249.181994	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-H+HCOOH"	44.998194
"367527"	453.365801	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+HCOOH-H"	44.998201
"352505"	467.381451	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+Hac-H"	59.013851
"1500243"	263.197651	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Hac-H"	59.013851
"967780"	271.163951	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-H+NaCOOH"	66.980151
"114503"	239.153202	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+2Cl"	69.938804
"556250"	341.245102	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+2Cl"	69.938804
"1025050"	137.061302	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2Cl"	69.938804
"1246086"	283.102685	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Br"	78.918885
"1307440"	285.158672	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Cl+HCOOH"	80.974872
"1322754"	307.140629	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Cl+NaCOOH"	102.956829
"916732"	317.169386	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M-H+CF3COOH"	112.985586
"1301096"	353.146064	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Cl+CF3COOH"	148.962264
"1377074"	169.171124	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H-2H2O"	-35.012676
"1395300"	187.1811	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H-H2O"	-17.0027
"293165"	409.374876	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+H"	1.007276
"684491"	613.558676	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+H"	1.007276
"1360843"	205.191076	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H"	1.007276
"134828"	205.191076	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+2H"	2.014552
"574388"	307.282976	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+2H"	2.014552
"1047561"	103.099176	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2H"	2.014552
"206350"	137.129809333333	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+3H"	3.021828
"646638"	205.191076	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+3H"	3.021828
"1168776"	69.0685426666667	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+3H"	3.021828
"428770"	426.401423	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+NH4"	18.033823
"789398"	630.585223	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+NH4"	18.033823
"1682815"	222.217623	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+NH4"	18.033823
"332549"	213.7043495	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+H+NH4"	19.041099
"728981"	315.7962495	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+H+NH4"	19.041099
"1478428"	111.6124495	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H+NH4"	19.041099
"397109"	431.356818	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+Na"	22.989218
"758105"	635.540618	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+Na"	22.989218
"1603407"	227.173018	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Na"	22.989218
"315871"	216.182047	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+H+Na"	23.996494
"710849"	318.273947	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+H+Na"	23.996494
"1463579"	114.090147	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H+Na"	23.996494
"1055005"	76.3958566666667	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2H+Na"	25.00377
"1257169"	237.217286	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+CH3OH+H"	33.033486
"377480"	447.330758	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+K"	38.963158
"740626"	651.514558	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+K"	38.963158
"1540732"	243.146958	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+K"	38.963158
"309340"	224.169017	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+H+K"	39.970434
"698479"	326.260917	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+H+K"	39.970434
"1448287"	122.077117	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H+K"	39.970434
"237981"	450.401426	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+ACN+H"	42.033826
"1212267"	246.217626	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+ACN+H"	42.033826
"1198583"	123.612451	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+ACN+2H"	43.041102
"192907"	453.33876	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+2Na-H"	44.97116
"631015"	657.52256	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+2Na-H"	44.97116
"1133790"	249.15496	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2Na-H"	44.97116
"187176"	227.173018	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+2Na"	45.978436
"621755"	329.264918	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+2Na"	45.978436
"1120886"	125.081118	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2Na"	45.978436
"1410246"	83.7231706666667	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H+2Na"	46.985712
"1437620"	251.196546	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H+HCOOH"	47.012746
"226217"	232.20604	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+3H2O+2H"	56.04448
"1519746"	265.24859	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+IsoProp+H"	61.06479
"415058"	235.159988	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+Na+K"	61.952376
"779334"	337.251888	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+Na+K"	61.952376
"1671297"	133.068088	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Na+K"	61.952376
"260008"	472.383368	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+ACN+Na"	64.015768
"1231621"	268.199568	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+ACN+Na"	64.015768
"1717224"	268.223093	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+NH4+HCOOH"	64.039293
"1186586"	91.0504846666667	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+3Na"	68.967654
"1657572"	273.178488	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Na+HCOOH"	68.994688
"164797"	485.28664	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+2K-H"	76.91904
"599987"	689.47044	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+2K-H"	76.91904
"1090695"	281.10284	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2K-H"	76.91904
"141799"	243.146958	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"2M+2K"	77.926316
"587804"	345.238858	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"3M+2K"	77.926316
"1079242"	141.055058	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2K"	77.926316
"1109169"	283.117392	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2K+H"	78.933592
"1340449"	283.205007	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+DMSO+H"	79.021207
"1015550"	287.244176	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2ACN+H"	83.060376
"1534772"	288.237808	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+IsoProp+Na+H"	84.054008
"999032"	144.125726	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+2ACN+2H"	84.067652
"1600832"	289.152428	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+K+HCOOH"	84.968628
"1426855"	319.183938	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+H+CF3COOH"	115.000138
"1161519"	164.639001	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+3ACN+2H"	125.094202
"1711802"	336.210485	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+NH4+CF3COOH"	132.026685
"1647812"	341.16588	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+Na+CF3COOH"	136.98208
"1575810"	357.13982	"C06984"	"Ethambutol"	"C10H24N2O2"	"204.1838"	"M+K+CF3COOH"	152.95602
"812738"	204.0423	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M"	0
"979710"	185.02391	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-H2O-H"	-19.01839
"69043"	135.020924	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M-3H"	-3.021828
"503500"	203.035024	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M-3H"	-3.021828
"880490"	67.006824	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-3H"	-3.021828
"2797"	203.035024	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M-2H"	-2.014552
"441262"	305.056174	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M-2H"	-2.014552
"823443"	101.013874	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-2H"	-2.014552
"82704"	407.077324	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M-H"	-1.007276
"520805"	611.119624	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M-H"	-1.007276
"896295"	203.035024	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-H"	-1.007276
"48482"	424.103871	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M-2H+NH4"	16.019271
"488041"	628.146171	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M-2H+NH4"	16.019271
"867427"	220.061571	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-2H+NH4"	16.019271
"33258"	429.059266	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M-2H+Na"	20.974666
"473066"	633.101566	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M-2H+Na"	20.974666
"849405"	225.016966	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-2H+Na"	20.974666
"1622959"	225.016966	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Na-2H"	20.974666
"98396"	221.023363	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M-H+Cl"	33.962126
"543423"	323.044513	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M-H+Cl"	33.962126
"932563"	119.002213	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-H+Cl"	33.962126
"275494"	443.054002	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+Cl"	34.969402
"663540"	647.096302	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+Cl"	34.969402
"1278131"	239.011702	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Cl"	34.969402
"19595"	445.033206	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M-2H+K"	36.948606
"462434"	649.075506	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M-2H+K"	36.948606
"840235"	240.990906	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-2H+K"	36.948606
"1558259"	240.990906	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+K-2H"	36.948606
"955621"	249.040494	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-H+HCOOH"	44.998194
"373834"	453.082801	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+HCOOH-H"	44.998201
"355895"	467.098451	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+Hac-H"	59.013851
"1503633"	263.056151	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Hac-H"	59.013851
"966798"	271.022451	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-H+NaCOOH"	66.980151
"110728"	239.011702	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+2Cl"	69.938804
"555269"	341.032852	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+2Cl"	69.938804
"1021883"	136.990552	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2Cl"	69.938804
"1245834"	282.961185	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Br"	78.918885
"1306096"	285.017172	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Cl+HCOOH"	80.974872
"1323592"	306.999129	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Cl+NaCOOH"	102.956829
"916842"	317.027886	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M-H+CF3COOH"	112.985586
"1301206"	353.004564	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Cl+CF3COOH"	148.962264
"1374997"	169.029624	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H-2H2O"	-35.012676
"1393587"	187.0396	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H-H2O"	-17.0027
"286715"	409.091876	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+H"	1.007276
"682415"	613.134176	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+H"	1.007276
"1356578"	205.049576	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H"	1.007276
"132746"	205.049576	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+2H"	2.014552
"568303"	307.070726	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+2H"	2.014552
"1040383"	103.028426	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2H"	2.014552
"205609"	137.035476	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+3H"	3.021828
"645412"	205.049576	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+3H"	3.021828
"1164875"	69.021376	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+3H"	3.021828
"426327"	426.118423	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+NH4"	18.033823
"788782"	630.160723	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+NH4"	18.033823
"1684017"	222.076123	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+NH4"	18.033823
"337765"	213.5628495	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+H+NH4"	19.041099
"726905"	315.5839995	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+H+NH4"	19.041099
"1477808"	111.5416995	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H+NH4"	19.041099
"399407"	431.073818	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+Na"	22.989218
"761495"	635.116118	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+Na"	22.989218
"1602988"	227.031518	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Na"	22.989218
"317444"	216.040547	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+H+Na"	23.996494
"712052"	318.061697	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+H+Na"	23.996494
"1468063"	114.019397	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H+Na"	23.996494
"1053283"	76.34869	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2H+Na"	25.00377
"1257881"	237.075786	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+CH3OH+H"	33.033486
"378158"	447.047758	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+K"	38.963158
"740734"	651.090058	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+K"	38.963158
"1542058"	243.005458	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+K"	38.963158
"306898"	224.027517	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+H+K"	39.970434
"698588"	326.048667	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+H+K"	39.970434
"1451313"	122.006367	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H+K"	39.970434
"238820"	450.118426	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+ACN+H"	42.033826
"1211892"	246.076126	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+ACN+H"	42.033826
"1197596"	123.541701	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+ACN+2H"	43.041102
"192653"	453.05576	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+2Na-H"	44.97116
"630395"	657.09806	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+2Na-H"	44.97116
"1132442"	249.01346	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2Na-H"	44.97116
"185580"	227.031518	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+2Na"	45.978436
"622594"	329.052668	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+2Na"	45.978436
"1120995"	125.010368	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2Na"	45.978436
"1407439"	83.676004	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H+2Na"	46.985712
"1434449"	251.055046	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H+HCOOH"	47.012746
"223047"	232.06454	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+3H2O+2H"	56.04448
"1514389"	265.10709	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+IsoProp+H"	61.06479
"415169"	235.018488	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+Na+K"	61.952376
"778351"	337.039638	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+Na+K"	61.952376
"1669218"	132.997338	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Na+K"	61.952376
"256835"	472.100368	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+ACN+Na"	64.015768
"1233918"	268.058068	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+ACN+Na"	64.015768
"1719523"	268.081593	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+NH4+HCOOH"	64.039293
"1187061"	91.003318	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+3Na"	68.967654
"1655860"	273.036988	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Na+HCOOH"	68.994688
"164180"	485.00364	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+2K-H"	76.91904
"600098"	689.04594	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+2K-H"	76.91904
"1091903"	280.96134	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2K-H"	76.91904
"146893"	243.005458	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"2M+2K"	77.926316
"588276"	345.026608	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"3M+2K"	77.926316
"1077529"	140.984308	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2K"	77.926316
"1108185"	282.975892	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2K+H"	78.933592
"1336424"	283.063507	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+DMSO+H"	79.021207
"1013473"	287.102676	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2ACN+H"	83.060376
"1532696"	288.096308	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+IsoProp+Na+H"	84.054008
"1000235"	144.054976	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+2ACN+2H"	84.067652
"1600213"	289.010928	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+K+HCOOH"	84.968628
"1425872"	319.042438	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+H+CF3COOH"	115.000138
"1160536"	164.568251	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+3ACN+2H"	125.094202
"1711790"	336.068985	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+NH4+CF3COOH"	132.026685
"1647922"	341.02438	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+Na+CF3COOH"	136.98208
"1575920"	356.99832	"C06986"	"Spirodilactone"	"C11H8O4"	"204.0423"	"M+K+CF3COOH"	152.95602
"813944"	287.8601	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M"	0
"988569"	268.84171	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-H2O-H"	-19.01839
"71342"	190.899457333333	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M-3H"	-3.021828
"508715"	286.852824	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M-3H"	-3.021828
"886519"	94.9460906666666	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-3H"	-3.021828
"12387"	286.852824	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H"	-2.014552
"445749"	430.782874	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H"	-2.014552
"823553"	142.922774	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H"	-2.014552
"82453"	574.712924	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M-H"	-1.007276
"522375"	862.573024	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M-H"	-1.007276
"899445"	286.852824	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-H"	-1.007276
"48959"	591.739471	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H+NH4"	16.019271
"491556"	879.599571	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H+NH4"	16.019271
"866201"	303.879371	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H+NH4"	16.019271
"34342"	596.694866	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H+Na"	20.974666
"472930"	884.554966	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H+Na"	20.974666
"850365"	308.834766	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H+Na"	20.974666
"1624162"	308.834766	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na-2H"	20.974666
"101785"	304.841163	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M-H+Cl"	33.962126
"543533"	448.771213	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M-H+Cl"	33.962126
"928296"	160.911113	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+Cl"	33.962126
"271229"	610.689602	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Cl"	34.969402
"666933"	898.549702	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+Cl"	34.969402
"1277147"	322.829502	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl"	34.969402
"20798"	612.668806	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H+K"	36.948606
"457441"	900.528906	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H+K"	36.948606
"837066"	324.808706	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H+K"	36.948606
"1561649"	324.808706	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+K-2H"	36.948606
"955730"	332.858294	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+HCOOH"	44.998194
"374308"	620.718401	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+HCOOH-H"	44.998201
"353818"	634.734051	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Hac-H"	59.013851
"1502650"	346.873951	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Hac-H"	59.013851
"969097"	354.840251	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+NaCOOH"	66.980151
"112540"	322.829502	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2Cl"	69.938804
"555379"	466.759552	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2Cl"	69.938804
"1025272"	178.899452	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2Cl"	69.938804
"1244849"	366.778985	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Br"	78.918885
"1306205"	368.834972	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl+HCOOH"	80.974872
"1322608"	390.816929	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl+NaCOOH"	102.956829
"916952"	400.845686	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+CF3COOH"	112.985586
"1294756"	436.822364	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl+CF3COOH"	148.962264
"1371820"	252.847424	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H-2H2O"	-35.012676
"1384947"	270.8574	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H-H2O"	-17.0027
"286825"	576.727476	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H"	1.007276
"681431"	864.587576	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H"	1.007276
"1355593"	288.867376	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H"	1.007276
"129940"	288.867376	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2H"	2.014552
"569506"	432.797426	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2H"	2.014552
"1039399"	144.937326	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2H"	2.014552
"206571"	192.914009333333	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+3H"	3.021828
"646128"	288.867376	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+3H"	3.021828
"1166440"	96.9606426666667	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+3H"	3.021828
"427164"	593.754023	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+NH4"	18.033823
"788163"	881.614123	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+NH4"	18.033823
"1683397"	305.893923	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+NH4"	18.033823
"336782"	297.3806495	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H+NH4"	19.041099
"728109"	441.3106995	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H+NH4"	19.041099
"1479010"	153.4505995	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+NH4"	19.041099
"400610"	598.709418	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Na"	22.989218
"761605"	886.569518	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+Na"	22.989218
"1605329"	310.849318	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na"	22.989218
"318647"	299.858347	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H+Na"	23.996494
"712162"	443.788397	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H+Na"	23.996494
"1469265"	155.928297	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+Na"	23.996494
"1055586"	104.287956666667	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2H+Na"	25.00377
"1259449"	320.893586	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+CH3OH+H"	33.033486
"380944"	614.683358	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+K"	38.963158
"740114"	902.543458	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+K"	38.963158
"1541803"	326.823258	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+K"	38.963158
"306276"	307.845317	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H+K"	39.970434
"703076"	451.775367	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H+K"	39.970434
"1456896"	163.915267	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+K"	39.970434
"243310"	617.754026	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+ACN+H"	42.033826
"1219297"	329.893926	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+ACN+H"	42.033826
"1203179"	165.450601	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+ACN+2H"	43.041102
"197141"	620.69136	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2Na-H"	44.97116
"634514"	908.55146	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2Na-H"	44.97116
"1139111"	332.83126	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2Na-H"	44.97116
"182410"	310.849318	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2Na"	45.978436
"620882"	454.779368	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2Na"	45.978436
"1123294"	166.919268	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2Na"	45.978436
"1407911"	111.615270666667	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+2Na"	46.985712
"1433829"	334.872846	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+HCOOH"	47.012746
"222427"	315.88234	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+3H2O+2H"	56.04448
"1511581"	348.92489	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+IsoProp+H"	61.06479
"412725"	318.836288	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Na+K"	61.952376
"773723"	462.766338	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+Na+K"	61.952376
"1671517"	174.906238	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na+K"	61.952376
"257309"	639.735968	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+ACN+Na"	64.015768
"1228195"	351.875868	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+ACN+Na"	64.015768
"1716350"	351.899393	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+NH4+HCOOH"	64.039293
"1181707"	118.942584666667	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+3Na"	68.967654
"1651598"	356.854788	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na+HCOOH"	68.994688
"158459"	652.63924	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2K-H"	76.91904
"599114"	940.49934	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2K-H"	76.91904
"1093466"	364.77914	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2K-H"	76.91904
"145909"	326.823258	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2K"	77.926316
"582226"	470.753308	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2K"	77.926316
"1071441"	182.893208	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2K"	77.926316
"1101002"	366.793692	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2K+H"	78.933592
"1337753"	366.881307	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+DMSO+H"	79.021207
"1013583"	370.920476	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2ACN+H"	83.060376
"1536090"	371.914108	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+IsoProp+Na+H"	84.054008
"1000349"	185.963876	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+2ACN+2H"	84.067652
"1600323"	372.828728	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+K+HCOOH"	84.968628
"1427076"	402.860238	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+CF3COOH"	115.000138
"1162601"	206.477151	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+3ACN+2H"	125.094202
"1712023"	419.886785	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+NH4+CF3COOH"	132.026685
"1648034"	424.84218	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na+CF3COOH"	136.98208
"1579310"	440.81612	"C06988"	"beta-123456-Hexachlorocyclohexane;beta-Hexachlorocyclohexane;beta-BHC;beta-Lindane"	"C6H6Cl6"	"287.8601"	"M+K+CF3COOH"	152.95602
"806397"	217.9224	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M"	0
"975554"	198.90401	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-H2O-H"	-19.01839
"65983"	144.274324	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M-3H"	-3.021828
"503105"	216.915124	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M-3H"	-3.021828
"887722"	71.633524	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-3H"	-3.021828
"12861"	216.915124	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M-2H"	-2.014552
"445859"	325.876324	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M-2H"	-2.014552
"823663"	107.953924	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-2H"	-2.014552
"83656"	434.837524	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M-H"	-1.007276
"521029"	652.759924	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M-H"	-1.007276
"897734"	216.915124	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-H"	-1.007276
"48827"	451.864071	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M-2H+NH4"	16.019271
"488751"	669.786471	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M-2H+NH4"	16.019271
"868742"	233.941671	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-2H+NH4"	16.019271
"33359"	456.819466	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M-2H+Na"	20.974666
"472917"	674.741866	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M-2H+Na"	20.974666
"850112"	238.897066	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-2H+Na"	20.974666
"1624272"	238.897066	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Na-2H"	20.974666
"101895"	234.903463	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M-H+Cl"	33.962126
"543643"	343.864663	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M-H+Cl"	33.962126
"927555"	125.942263	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-H+Cl"	33.962126
"271339"	470.814202	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+Cl"	34.969402
"667043"	688.736602	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+Cl"	34.969402
"1277257"	252.891802	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Cl"	34.969402
"20908"	472.793406	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M-2H+K"	36.948606
"457187"	690.715806	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M-2H+K"	36.948606
"837176"	254.871006	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-2H+K"	36.948606
"1560666"	254.871006	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+K-2H"	36.948606
"955111"	262.920594	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-H+HCOOH"	44.998194
"368949"	480.843001	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+HCOOH-H"	44.998201
"353928"	494.858651	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+Hac-H"	59.013851
"1502759"	276.936251	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Hac-H"	59.013851
"962646"	284.902551	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-H+NaCOOH"	66.980151
"112649"	252.891802	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+2Cl"	69.938804
"553302"	361.853002	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+2Cl"	69.938804
"1025382"	143.930602	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2Cl"	69.938804
"1244959"	296.841285	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Br"	78.918885
"1306679"	298.897272	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Cl+HCOOH"	80.974872
"1323811"	320.879229	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Cl+NaCOOH"	102.956829
"918155"	330.907986	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M-H+CF3COOH"	112.985586
"1294866"	366.884664	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Cl+CF3COOH"	148.962264
"1371930"	182.909724	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H-2H2O"	-35.012676
"1383963"	200.9197	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H-H2O"	-17.0027
"288024"	436.852076	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+H"	1.007276
"679712"	654.774476	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+H"	1.007276
"1354607"	218.929676	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H"	1.007276
"130774"	218.929676	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+2H"	2.014552
"571797"	327.890876	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+2H"	2.014552
"1043517"	109.968476	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2H"	2.014552
"213602"	146.288876	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+3H"	3.021828
"646238"	218.929676	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+3H"	3.021828
"1163998"	73.648076	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+3H"	3.021828
"426909"	453.878623	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+NH4"	18.033823
"786812"	671.801023	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+NH4"	18.033823
"1681451"	235.956223	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+NH4"	18.033823
"335799"	227.4429495	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+H+NH4"	19.041099
"726398"	336.4041495	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+H+NH4"	19.041099
"1477540"	118.4817495	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H+NH4"	19.041099
"397440"	458.834018	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+Na"	22.989218
"761715"	676.756418	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+Na"	22.989218
"1605439"	240.911618	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Na"	22.989218
"320945"	229.920647	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+H+Na"	23.996494
"709356"	338.881847	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+H+Na"	23.996494
"1464636"	120.959447	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H+Na"	23.996494
"1053873"	80.97539	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2H+Na"	25.00377
"1257737"	250.955886	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+CH3OH+H"	33.033486
"377769"	474.807958	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+K"	38.963158
"741316"	692.730358	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+K"	38.963158
"1540452"	256.885558	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+K"	38.963158
"304200"	237.907617	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+H+K"	39.970434
"695532"	346.868817	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+H+K"	39.970434
"1452632"	128.946417	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H+K"	39.970434
"242327"	477.878626	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+ACN+H"	42.033826
"1215398"	259.956226	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+ACN+H"	42.033826
"1200373"	130.481751	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+ACN+2H"	43.041102
"193971"	480.81596	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+2Na-H"	44.97116
"633531"	698.73836	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+2Na-H"	44.97116
"1135941"	262.89356	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2Na-H"	44.97116
"182520"	240.911618	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+2Na"	45.978436
"618075"	349.872818	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+2Na"	45.978436
"1124497"	131.950418	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2Na"	45.978436
"1406928"	88.302704	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H+2Na"	46.985712
"1432846"	264.935146	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H+HCOOH"	47.012746
"221566"	245.94464	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+3H2O+2H"	56.04448
"1510965"	278.98719	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+IsoProp+H"	61.06479
"414293"	248.898588	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+Na+K"	61.952376
"773833"	357.859788	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+Na+K"	61.952376
"1671263"	139.937388	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Na+K"	61.952376
"257419"	499.860568	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+ACN+Na"	64.015768
"1228305"	281.938168	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+ACN+Na"	64.015768
"1715733"	281.961693	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+NH4+HCOOH"	64.039293
"1181817"	95.630018	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+3Na"	68.967654
"1652801"	286.917088	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Na+HCOOH"	68.994688
"159662"	512.76384	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+2K-H"	76.91904
"600318"	730.68624	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+2K-H"	76.91904
"1093576"	294.84144	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2K-H"	76.91904
"147113"	256.885558	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"2M+2K"	77.926316
"589953"	365.846758	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"3M+2K"	77.926316
"1069849"	147.924358	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2K"	77.926316
"1100869"	296.855992	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2K+H"	78.933592
"1337499"	296.943607	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+DMSO+H"	79.021207
"1009684"	300.982776	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2ACN+H"	83.060376
"1536200"	301.976408	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+IsoProp+Na+H"	84.054008
"1001553"	150.995026	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+2ACN+2H"	84.067652
"1599339"	302.891028	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+K+HCOOH"	84.968628
"1426093"	332.922538	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+H+CF3COOH"	115.000138
"1161855"	171.508301	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+3ACN+2H"	125.094202
"1712498"	349.949085	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+NH4+CF3COOH"	132.026685
"1648144"	354.90448	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+Na+CF3COOH"	136.98208
"1579420"	370.87842	"C06989"	"delta-3456-Tetrachlorocyclohexene;3456-Tetrachlorocyclohexene"	"C6H6Cl4"	"217.9224"	"M+K+CF3COOH"	152.95602
"806507"	112.008	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M"	0
"975664"	92.98961	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-H2O-H"	-19.01839
"63903"	73.664724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M-3H"	-3.021828
"504188"	111.000724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M-3H"	-3.021828
"880175"	36.328724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-3H"	-3.021828
"8596"	111.000724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M-2H"	-2.014552
"442689"	167.004724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M-2H"	-2.014552
"823773"	54.996724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-2H"	-2.014552
"82673"	223.008724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M-H"	-1.007276
"520046"	335.016724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M-H"	-1.007276
"896262"	111.000724	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-H"	-1.007276
"47480"	240.035271	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M-2H+NH4"	16.019271
"489227"	352.043271	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M-2H+NH4"	16.019271
"866662"	128.027271	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-2H+NH4"	16.019271
"32495"	244.990666	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M-2H+Na"	20.974666
"472177"	356.998666	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M-2H+Na"	20.974666
"849491"	132.982666	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-2H+Na"	20.974666
"1622559"	132.982666	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Na-2H"	20.974666
"103099"	128.989063	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M-H+Cl"	33.962126
"543753"	184.993063	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M-H+Cl"	33.962126
"927910"	72.985063	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-H+Cl"	33.962126
"271449"	258.985402	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+Cl"	34.969402
"667153"	370.993402	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+Cl"	34.969402
"1276274"	146.977402	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Cl"	34.969402
"19925"	260.964606	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M-2H+K"	36.948606
"458390"	372.972606	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M-2H+K"	36.948606
"837287"	148.956606	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-2H+K"	36.948606
"1561870"	148.956606	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+K-2H"	36.948606
"947564"	157.006194	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-H+HCOOH"	44.998194
"367966"	269.014201	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+HCOOH-H"	44.998201
"358410"	283.029851	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+Hac-H"	59.013851
"1499588"	171.021851	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Hac-H"	59.013851
"971502"	178.988151	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-H+NaCOOH"	66.980151
"110814"	146.977402	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+2Cl"	69.938804
"554506"	202.981402	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+2Cl"	69.938804
"1022940"	90.973402	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2Cl"	69.938804
"1242517"	190.926885	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Br"	78.918885
"1305333"	192.982872	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Cl+HCOOH"	80.974872
"1321736"	214.964829	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Cl+NaCOOH"	102.956829
"920451"	224.993586	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M-H+CF3COOH"	112.985586
"1292789"	260.970264	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Cl+CF3COOH"	148.962264
"1370947"	76.995324	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H-2H2O"	-35.012676
"1387352"	95.0053	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H-H2O"	-17.0027
"285947"	225.023276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+H"	1.007276
"679458"	337.031276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+H"	1.007276
"1355809"	113.015276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H"	1.007276
"129788"	113.015276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+2H"	2.014552
"569713"	169.019276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+2H"	2.014552
"1046905"	57.011276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2H"	2.014552
"213711"	75.679276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+3H"	3.021828
"645012"	113.015276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+3H"	3.021828
"1164837"	38.343276	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+3H"	3.021828
"425193"	242.049823	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+NH4"	18.033823
"787289"	354.057823	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+NH4"	18.033823
"1681543"	130.041823	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+NH4"	18.033823
"332264"	121.5285495	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+H+NH4"	19.041099
"726143"	177.5325495	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+H+NH4"	19.041099
"1477163"	65.5245495	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H+NH4"	19.041099
"397187"	247.005218	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+Na"	22.989218
"758545"	359.013218	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+Na"	22.989218
"1606643"	134.997218	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Na"	22.989218
"318868"	124.006247	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+H+Na"	23.996494
"710196"	180.010247	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+H+Na"	23.996494
"1464382"	68.002247	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H+Na"	23.996494
"1053984"	45.67059	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2H+Na"	25.00377
"1258942"	145.041486	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+CH3OH+H"	33.033486
"378974"	262.979158	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+K"	38.963158
"741064"	374.987158	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+K"	38.963158
"1539924"	150.971158	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+K"	38.963158
"305403"	131.993217	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+H+K"	39.970434
"696735"	187.997217	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+H+K"	39.970434
"1452742"	75.989217	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H+K"	39.970434
"243530"	266.049826	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+ACN+H"	42.033826
"1215144"	154.041826	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+ACN+H"	42.033826
"1201212"	77.524551	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+ACN+2H"	43.041102
"194081"	268.98716	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+2Na-H"	44.97116
"634734"	380.99516	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+2Na-H"	44.97116
"1136051"	156.97916	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2Na-H"	44.97116
"184818"	134.997218	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+2Na"	45.978436
"615634"	191.001218	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+2Na"	45.978436
"1122420"	78.993218	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2Na"	45.978436
"1404851"	52.997904	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H+2Na"	46.985712
"1432592"	159.020746	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H+HCOOH"	47.012746
"221917"	140.03024	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+3H2O+2H"	56.04448
"1510465"	173.07279	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+IsoProp+H"	61.06479
"414405"	142.984188	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+Na+K"	61.952376
"773942"	198.988188	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+Na+K"	61.952376
"1669187"	86.980188	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Na+K"	61.952376
"255707"	288.031768	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+ACN+Na"	64.015768
"1227687"	176.023768	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+ACN+Na"	64.015768
"1714749"	176.047293	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+NH4+HCOOH"	64.039293
"1181192"	60.325218	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+3Na"	68.967654
"1651813"	181.002688	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Na+HCOOH"	68.994688
"158679"	300.93504	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+2K-H"	76.91904
"598240"	412.94304	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+2K-H"	76.91904
"1091499"	188.92704	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2K-H"	76.91904
"143943"	150.971158	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"2M+2K"	77.926316
"588970"	206.975158	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"3M+2K"	77.926316
"1068866"	94.967158	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2K"	77.926316
"1100291"	190.941592	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2K+H"	78.933592
"1336515"	191.029207	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+DMSO+H"	79.021207
"1009794"	195.068376	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2ACN+H"	83.060376
"1537403"	196.062008	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+IsoProp+Na+H"	84.054008
"1001663"	98.037826	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+2ACN+2H"	84.067652
"1599449"	196.976628	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+K+HCOOH"	84.968628
"1428389"	227.008138	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+H+CF3COOH"	115.000138
"1161965"	118.551101	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+3ACN+2H"	125.094202
"1711757"	244.034685	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+NH4+CF3COOH"	132.026685
"1649228"	248.99008	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+Na+CF3COOH"	136.98208
"1579530"	264.96402	"C06990"	"Chlorobenzene;Monochlorobenzene;Benzene chloride;Phenyl chloride"	"C6H5Cl"	"112.008"	"M+K+CF3COOH"	152.95602
"806617"	287.1521	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M"	0
"976867"	268.13371	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-H2O-H"	-19.01839
"66203"	190.427457333333	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M-3H"	-3.021828
"503692"	286.144824	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M-3H"	-3.021828
"881379"	94.7100906666667	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-3H"	-3.021828
"8708"	286.144824	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M-2H"	-2.014552
"449361"	429.720874	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M-2H"	-2.014552
"822790"	142.568774	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-2H"	-2.014552
"79258"	573.296924	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M-H"	-1.007276
"521250"	860.449024	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M-H"	-1.007276
"897226"	286.144824	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-H"	-1.007276
"49414"	590.323471	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M-2H+NH4"	16.019271
"488971"	877.475571	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M-2H+NH4"	16.019271
"867503"	303.171371	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-2H+NH4"	16.019271
"34308"	595.278866	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M-2H+Na"	20.974666
"472774"	882.430966	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M-2H+Na"	20.974666
"849842"	308.126766	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-2H+Na"	20.974666
"1618695"	308.126766	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Na-2H"	20.974666
"102116"	304.133163	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M-H+Cl"	33.962126
"546050"	447.709213	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M-H+Cl"	33.962126
"929722"	160.557113	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-H+Cl"	33.962126
"268279"	609.273602	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+Cl"	34.969402
"668356"	896.425702	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+Cl"	34.969402
"1274198"	322.121502	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Cl"	34.969402
"18942"	611.252806	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M-2H+K"	36.948606
"456436"	898.404906	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M-2H+K"	36.948606
"838492"	324.100706	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-2H+K"	36.948606
"1560887"	324.100706	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+K-2H"	36.948606
"947674"	332.150294	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-H+HCOOH"	44.998194
"373545"	619.302401	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+HCOOH-H"	44.998201
"358520"	633.318051	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+Hac-H"	59.013851
"1499699"	346.165951	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Hac-H"	59.013851
"968332"	354.132251	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-H+NaCOOH"	66.980151
"114328"	322.121502	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+2Cl"	69.938804
"552428"	465.697552	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+2Cl"	69.938804
"1024511"	178.545452	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2Cl"	69.938804
"1243115"	366.070985	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Br"	78.918885
"1309818"	368.126972	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Cl+HCOOH"	80.974872
"1321845"	390.108929	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Cl+NaCOOH"	102.956829
"920564"	400.137686	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M-H+CF3COOH"	112.985586
"1291805"	436.114364	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Cl+CF3COOH"	148.962264
"1373244"	252.139424	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H-2H2O"	-35.012676
"1387462"	270.1494	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H-H2O"	-17.0027
"286057"	575.311476	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+H"	1.007276
"679205"	862.463576	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+H"	1.007276
"1354097"	288.159376	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H"	1.007276
"130991"	288.159376	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+2H"	2.014552
"571280"	431.735426	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+2H"	2.014552
"1047015"	144.583326	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2H"	2.014552
"210541"	192.442009333333	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+3H"	3.021828
"646096"	288.159376	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+3H"	3.021828
"1165676"	96.7246426666667	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+3H"	3.021828
"427490"	592.338023	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+NH4"	18.033823
"786427"	879.490123	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+NH4"	18.033823
"1682265"	305.185923	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+NH4"	18.033823
"330916"	296.6726495	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+H+NH4"	19.041099
"724431"	440.2486995	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+H+NH4"	19.041099
"1477474"	153.0965995	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H+NH4"	19.041099
"396568"	597.293418	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+Na"	22.989218
"756469"	884.445518	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+Na"	22.989218
"1606753"	310.141318	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Na"	22.989218
"317156"	299.150347	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+H+Na"	23.996494
"708484"	442.726397	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+H+Na"	23.996494
"1461446"	155.574297	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H+Na"	23.996494
"1053730"	104.051956666667	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2H+Na"	25.00377
"1257176"	320.185586	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+CH3OH+H"	33.033486
"377505"	613.267358	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+K"	38.963158
"740445"	900.419458	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+K"	38.963158
"1539893"	326.115258	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+K"	38.963158
"305513"	307.137317	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+H+K"	39.970434
"699760"	450.713367	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+H+K"	39.970434
"1450663"	163.561267	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H+K"	39.970434
"244733"	616.338026	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+ACN+H"	42.033826
"1215254"	329.185926	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+ACN+H"	42.033826
"1200229"	165.096601	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+ACN+2H"	43.041102
"190911"	619.27536	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+2Na-H"	44.97116
"630835"	906.42746	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+2Na-H"	44.97116
"1136161"	332.12326	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2Na-H"	44.97116
"182740"	310.141318	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+2Na"	45.978436
"622306"	453.717368	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+2Na"	45.978436
"1127636"	166.565268	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2Na"	45.978436
"1407148"	111.379270666667	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H+2Na"	46.985712
"1433796"	334.164846	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H+HCOOH"	47.012746
"222514"	315.17434	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+3H2O+2H"	56.04448
"1511550"	348.21689	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+IsoProp+H"	61.06479
"414515"	318.128288	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+Na+K"	61.952376
"772961"	461.704338	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+Na+K"	61.952376
"1668933"	174.552238	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Na+K"	61.952376
"252897"	638.319968	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+ACN+Na"	64.015768
"1226704"	351.167868	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+ACN+Na"	64.015768
"1716680"	351.191393	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+NH4+HCOOH"	64.039293
"1182395"	118.706584666667	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+3Na"	68.967654
"1653744"	356.146788	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Na+HCOOH"	68.994688
"158789"	651.22324	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+2K-H"	76.91904
"601630"	938.37534	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+2K-H"	76.91904
"1090516"	364.07114	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2K-H"	76.91904
"141456"	326.115258	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"2M+2K"	77.926316
"586893"	469.691308	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"3M+2K"	77.926316
"1068935"	182.539208	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2K"	77.926316
"1100605"	366.085692	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2K+H"	78.933592
"1336138"	366.173307	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+DMSO+H"	79.021207
"1008447"	370.212476	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2ACN+H"	83.060376
"1537513"	371.206108	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+IsoProp+Na+H"	84.054008
"1001773"	185.609876	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+2ACN+2H"	84.067652
"1600652"	372.120728	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+K+HCOOH"	84.968628
"1429228"	402.152238	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+H+CF3COOH"	115.000138
"1159884"	206.123151	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+3ACN+2H"	125.094202
"1711259"	419.178785	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+NH4+CF3COOH"	132.026685
"1647270"	424.13418	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+Na+CF3COOH"	136.98208
"1576360"	440.10812	"C06991"	"Etodolac"	"C17H21NO3"	"287.1521"	"M+K+CF3COOH"	152.95602
"806727"	231.1235	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M"	0
"978071"	212.10511	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-H2O-H"	-19.01839
"65220"	153.075057333333	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M-3H"	-3.021828
"503196"	230.116224	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M-3H"	-3.021828
"881489"	76.0338906666667	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-3H"	-3.021828
"8818"	230.116224	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M-2H"	-2.014552
"449471"	345.677974	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M-2H"	-2.014552
"820713"	114.554474	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-2H"	-2.014552
"79612"	461.239724	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M-H"	-1.007276
"521360"	692.363224	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M-H"	-1.007276
"896364"	230.116224	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-H"	-1.007276
"49156"	478.266271	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M-2H+NH4"	16.019271
"489810"	709.389771	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M-2H+NH4"	16.019271
"870895"	247.142771	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-2H+NH4"	16.019271
"33690"	483.221666	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M-2H+Na"	20.974666
"473250"	714.345166	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M-2H+Na"	20.974666
"849589"	252.098166	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-2H+Na"	20.974666
"1618683"	252.098166	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Na-2H"	20.974666
"102226"	248.104563	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M-H+Cl"	33.962126
"545432"	363.666313	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M-H+Cl"	33.962126
"929832"	132.542813	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-H+Cl"	33.962126
"271669"	497.216402	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+Cl"	34.969402
"662997"	728.339902	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+Cl"	34.969402
"1280869"	266.092902	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Cl"	34.969402
"21240"	499.195606	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M-2H+K"	36.948606
"461893"	730.319106	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M-2H+K"	36.948606
"836414"	268.072106	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-2H+K"	36.948606
"1563184"	268.072106	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+K-2H"	36.948606
"951064"	276.121694	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-H+HCOOH"	44.998194
"370374"	507.245201	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+HCOOH-H"	44.998201
"356080"	521.260851	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+Hac-H"	59.013851
"1504912"	290.137351	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Hac-H"	59.013851
"968442"	298.103651	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-H+NaCOOH"	66.980151
"116262"	266.092902	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+2Cl"	69.938804
"554728"	381.654652	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+2Cl"	69.938804
"1028996"	150.531152	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2Cl"	69.938804
"1244198"	310.042385	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Br"	78.918885
"1309929"	312.098372	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Cl+HCOOH"	80.974872
"1321953"	334.080329	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Cl+NaCOOH"	102.956829
"917394"	344.109086	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M-H+CF3COOH"	112.985586
"1293009"	380.085764	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Cl+CF3COOH"	148.962264
"1372262"	196.110824	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H-2H2O"	-35.012676
"1386478"	214.1208	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H-H2O"	-17.0027
"285074"	463.254276	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+H"	1.007276
"677493"	694.377776	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+H"	1.007276
"1351654"	232.130776	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H"	1.007276
"128186"	232.130776	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+2H"	2.014552
"569571"	347.692526	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+2H"	2.014552
"1043846"	116.569026	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2H"	2.014552
"209558"	155.089609333333	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+3H"	3.021828
"647302"	232.130776	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+3H"	3.021828
"1166151"	78.0484426666667	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+3H"	3.021828
"428693"	480.280823	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+NH4"	18.033823
"786416"	711.404323	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+NH4"	18.033823
"1682740"	249.157323	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+NH4"	18.033823
"332119"	240.6440495	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+H+NH4"	19.041099
"724662"	356.2057995	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+H+NH4"	19.041099
"1478357"	125.0822995	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H+NH4"	19.041099
"398865"	485.236218	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+Na"	22.989218
"758036"	716.359718	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+Na"	22.989218
"1606863"	254.112718	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Na"	22.989218
"319087"	243.121747	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+H+Na"	23.996494
"709322"	358.683497	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+H+Na"	23.996494
"1462413"	127.559997	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H+Na"	23.996494
"1053961"	85.3757566666667	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2H+Na"	25.00377
"1257253"	264.156986	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+CH3OH+H"	33.033486
"378019"	501.210158	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+K"	38.963158
"740555"	732.333658	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+K"	38.963158
"1540215"	270.086658	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+K"	38.963158
"302343"	251.108717	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+H+K"	39.970434
"694033"	366.670467	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+H+K"	39.970434
"1448950"	135.546967	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H+K"	39.970434
"243750"	504.280826	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+ACN+H"	42.033826
"1214635"	273.157326	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+ACN+H"	42.033826
"1198517"	137.082301	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+ACN+2H"	43.041102
"191386"	507.21816	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+2Na-H"	44.97116
"630581"	738.34166	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+2Na-H"	44.97116
"1135179"	276.09466	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2Na-H"	44.97116
"180665"	254.112718	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+2Na"	45.978436
"623511"	369.674468	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+2Na"	45.978436
"1127016"	138.550968	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2Na"	45.978436
"1408719"	92.7030706666667	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H+2Na"	46.985712
"1432815"	278.136246	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H+HCOOH"	47.012746
"220562"	259.14574	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+3H2O+2H"	56.04448
"1510931"	292.18829	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+IsoProp+H"	61.06479
"414628"	262.099688	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+Na+K"	61.952376
"771613"	377.661438	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+Na+K"	61.952376
"1669772"	146.537938	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Na+K"	61.952376
"252402"	526.262768	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+ACN+Na"	64.015768
"1229004"	295.139268	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+ACN+Na"	64.015768
"1713551"	295.162793	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+NH4+HCOOH"	64.039293
"1181413"	100.030384666667	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+3Na"	68.967654
"1651671"	300.118188	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Na+HCOOH"	68.994688
"158899"	539.16604	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+2K-H"	76.91904
"598460"	770.28954	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+2K-H"	76.91904
"1090626"	308.04254	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2K-H"	76.91904
"145256"	270.086658	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"2M+2K"	77.926316
"587004"	385.648408	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"3M+2K"	77.926316
"1069085"	154.524908	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2K"	77.926316
"1100146"	310.057092	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2K+H"	78.933592
"1343297"	310.144707	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+DMSO+H"	79.021207
"1008558"	314.183876	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2ACN+H"	83.060376
"1538355"	315.177508	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+IsoProp+Na+H"	84.054008
"1005490"	157.595576	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+2ACN+2H"	84.067652
"1600765"	316.092128	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+K+HCOOH"	84.968628
"1427516"	346.123638	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+H+CF3COOH"	115.000138
"1158902"	178.108851	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+3ACN+2H"	125.094202
"1711612"	363.150185	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+NH4+CF3COOH"	132.026685
"1647380"	368.10558	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+Na+CF3COOH"	136.98208
"1576469"	384.07952	"C06996"	"Fenfluramine"	"C12H16F3N"	"231.1235"	"M+K+CF3COOH"	152.95602
"813398"	242.0943	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M"	0
"981462"	223.07591	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"68610"	160.388924	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"510357"	241.087024	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"880622"	79.690824	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"1262"	241.087024	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"454807"	362.134174	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"825198"	120.039874	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"81179"	483.181324	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"521470"	725.275624	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"897686"	241.087024	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"51091"	500.207871	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"489918"	742.302171	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"868818"	258.113571	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"33311"	505.163266	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"473480"	747.257566	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"851159"	263.068966	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1620330"	263.068966	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"102336"	259.075363	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"538615"	380.122513	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"930306"	138.028213	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"271779"	519.158002	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"661281"	761.252302	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1275509"	277.063702	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"20255"	521.137206	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"458111"	763.231506	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"838708"	279.042906	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1561106"	279.042906	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"951173"	287.092494	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"371576"	529.186801	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"352179"	543.202451	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1502106"	301.108151	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"965271"	309.074451	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"114545"	277.063702	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"554106"	398.110852	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1026918"	156.016552	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1244306"	321.013185	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1305784"	323.069172	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1323160"	345.051129	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"924065"	355.079886	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1295306"	391.056564	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1374560"	207.081624	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1385130"	225.0916	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"284818"	485.195876	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"677602"	727.290176	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1352857"	243.101576	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"127932"	243.101576	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"570045"	364.148726	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1043955"	122.054426	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"210762"	162.403476	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"649235"	243.101576	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1165900"	81.705376	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"428804"	502.222423	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"786890"	744.316723	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1683947"	260.128123	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"335146"	251.6148495	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"725013"	372.6619995	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1477247"	130.5676995	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"398974"	507.177818	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"758875"	749.272118	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1606972"	265.083518	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"314944"	254.092547	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"708824"	375.139697	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1461464"	133.045397	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1053093"	89.03269	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1257939"	275.127786	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"377966"	523.151758	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"741029"	765.246058	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1540895"	281.057458	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"299039"	262.079517	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"699248"	383.126667	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1448696"	141.032367	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"244953"	526.222426	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1215474"	284.128126	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1200451"	142.567701	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"191496"	529.15976	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"630694"	771.25406	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1135291"	287.06546	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"184055"	265.083518	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"624714"	386.130668	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1128219"	144.036368	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1411018"	96.360004	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1437300"	289.107046	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"221888"	270.11654	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1512865"	303.15909	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"416924"	273.070488	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"780105"	394.117638	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1669882"	152.023338	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"254578"	548.204368	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1230207"	306.110068	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1713621"	306.133593	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1183348"	103.687318	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1650446"	311.088988	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"159010"	561.10764	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"599665"	803.20194	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1089643"	319.01334	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"145366"	281.057458	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"588207"	402.104608	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1068831"	160.010308	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1100824"	321.027892	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1344500"	321.115507	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1013043"	325.154676	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1538953"	326.148308	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"1004790"	163.080976	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1600875"	327.062928	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1426535"	357.094438	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1156821"	183.594251	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1711112"	374.120985	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1639835"	379.07638	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1574392"	395.05032	"C06997"	"Fenoprofen"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"813508"	501.2879	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M"	0
"978292"	482.26951	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-H2O-H"	-19.01839
"67627"	333.184657333333	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M-3H"	-3.021828
"507187"	500.280624	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M-3H"	-3.021828
"881340"	166.088690666667	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-3H"	-3.021828
"6106"	500.280624	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M-2H"	-2.014552
"453944"	750.924574	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M-2H"	-2.014552
"826401"	249.636674	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-2H"	-2.014552
"81289"	1001.568524	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M-H"	-1.007276
"521580"	1502.856424	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M-H"	-1.007276
"897312"	500.280624	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-H"	-1.007276
"48892"	1018.595071	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M-2H+NH4"	16.019271
"489299"	1519.882971	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M-2H+NH4"	16.019271
"869292"	517.307171	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-2H+NH4"	16.019271
"33545"	1023.550466	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M-2H+Na"	20.974666
"473227"	1524.838366	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M-2H+Na"	20.974666
"850544"	522.262566	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-2H+Na"	20.974666
"1620805"	522.262566	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Na-2H"	20.974666
"102446"	518.268963	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M-H+Cl"	33.962126
"548812"	768.912913	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M-H+Cl"	33.962126
"936615"	267.625013	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-H+Cl"	33.962126
"270795"	1037.545202	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+Cl"	34.969402
"662848"	1538.833102	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+Cl"	34.969402
"1278902"	536.257302	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Cl"	34.969402
"21458"	1039.524406	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M-2H+K"	36.948606
"457738"	1540.812306	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M-2H+K"	36.948606
"838818"	538.236506	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-2H+K"	36.948606
"1562308"	538.236506	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+K-2H"	36.948606
"949096"	546.286094	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-H+HCOOH"	44.998194
"365125"	1047.574001	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+HCOOH-H"	44.998201
"350102"	1061.589651	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+Hac-H"	59.013851
"1504039"	560.301751	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Hac-H"	59.013851
"967568"	568.268051	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-H+NaCOOH"	66.980151
"115019"	536.257302	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+2Cl"	69.938804
"557132"	786.901252	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+2Cl"	69.938804
"1027027"	285.613352	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2Cl"	69.938804
"1244781"	580.206785	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Br"	78.918885
"1309051"	582.262772	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Cl+HCOOH"	80.974872
"1324726"	604.244729	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Cl+NaCOOH"	102.956829
"926608"	614.273486	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M-H+CF3COOH"	112.985586
"1295417"	650.250164	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Cl+CF3COOH"	148.962264
"1377950"	466.275224	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H-2H2O"	-35.012676
"1387795"	484.2852	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H-H2O"	-17.0027
"287483"	1003.583076	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+H"	1.007276
"678076"	1504.870976	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+H"	1.007276
"1354794"	502.295176	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H"	1.007276
"129869"	502.295176	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+2H"	2.014552
"571981"	752.939126	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+2H"	2.014552
"1045161"	251.651226	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2H"	2.014552
"214152"	335.199209333333	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+3H"	3.021828
"654807"	502.295176	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+3H"	3.021828
"1168564"	168.103242666667	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+3H"	3.021828
"428555"	1020.609623	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+NH4"	18.033823
"787364"	1521.897523	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+NH4"	18.033823
"1682237"	519.321723	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+NH4"	18.033823
"333070"	510.8084495	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+H+NH4"	19.041099
"726584"	761.4523995	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+H+NH4"	19.041099
"1479673"	260.1644995	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H+NH4"	19.041099
"400179"	1025.565018	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+Na"	22.989218
"760080"	1526.852918	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+Na"	22.989218
"1607082"	524.277118	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Na"	22.989218
"319308"	513.286147	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+H+Na"	23.996494
"708447"	763.930097	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+H+Na"	23.996494
"1461613"	262.642197	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H+Na"	23.996494
"1057710"	175.430556666667	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2H+Na"	25.00377
"1262670"	534.321386	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+CH3OH+H"	33.033486
"380514"	1041.538958	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+K"	38.963158
"740047"	1542.826858	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+K"	38.963158
"1543559"	540.251058	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+K"	38.963158
"300365"	521.273117	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+H+K"	39.970434
"693888"	771.917067	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+H+K"	39.970434
"1447341"	270.629167	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H+K"	39.970434
"238491"	1044.609626	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+ACN+H"	42.033826
"1214116"	543.321726	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+ACN+H"	42.033826
"1200561"	272.164501	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+ACN+2H"	43.041102
"192336"	1047.54696	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+2Na-H"	44.97116
"635180"	1548.83486	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+2Na-H"	44.97116
"1138683"	546.25906	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2Na-H"	44.97116
"184164"	524.277118	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+2Na"	45.978436
"624824"	774.921068	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+2Na"	45.978436
"1129059"	273.633168	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2Na"	45.978436
"1411128"	182.757870666667	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H+2Na"	46.985712
"1439597"	548.300646	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H+HCOOH"	47.012746
"223822"	529.31014	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+3H2O+2H"	56.04448
"1512977"	562.35269	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+IsoProp+H"	61.06479
"414118"	532.264088	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+Na+K"	61.952376
"779124"	782.908038	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+Na+K"	61.952376
"1667434"	281.620138	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Na+K"	61.952376
"255417"	1066.591568	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+ACN+Na"	64.015768
"1231411"	565.303668	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+ACN+Na"	64.015768
"1713733"	565.327193	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+NH4+HCOOH"	64.039293
"1183461"	190.085184666667	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+3Na"	68.967654
"1655538"	570.282588	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Na+HCOOH"	68.994688
"161307"	1079.49484	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+2K-H"	76.91904
"604147"	1580.78274	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+2K-H"	76.91904
"1093036"	578.20694	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2K-H"	76.91904
"152039"	540.251058	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"2M+2K"	77.926316
"591601"	790.895008	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"3M+2K"	77.926316
"1069787"	289.607108	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2K"	77.926316
"1103853"	580.221492	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2K+H"	78.933592
"1344612"	580.309107	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+DMSO+H"	79.021207
"1016422"	584.348276	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2ACN+H"	83.060376
"1538336"	585.341908	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+IsoProp+Na+H"	84.054008
"1002103"	292.677776	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+2ACN+2H"	84.067652
"1600257"	586.256528	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+K+HCOOH"	84.968628
"1427736"	616.288038	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+H+CF3COOH"	115.000138
"1158025"	313.191051	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+3ACN+2H"	125.094202
"1711586"	633.314585	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+NH4+CF3COOH"	132.026685
"1638852"	638.26998	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+Na+CF3COOH"	136.98208
"1574502"	654.24392	"C06999"	"Fexofenadine;4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alphaalpha-dimethylbenzeneacetic acid"	"C32H39NO4"	"501.2879"	"M+K+CF3COOH"	152.95602
"813618"	414.1378	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M"	0
"978402"	395.11941	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-H2O-H"	-19.01839
"67737"	275.084590666667	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M-3H"	-3.021828
"506204"	413.130524	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M-3H"	-3.021828
"880273"	137.038657333333	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-3H"	-3.021828
"994"	413.130524	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M-2H"	-2.014552
"454176"	620.199424	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M-2H"	-2.014552
"826511"	206.061624	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-2H"	-2.014552
"85409"	827.268324	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M-H"	-1.007276
"523877"	1241.406124	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M-H"	-1.007276
"897301"	413.130524	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-H"	-1.007276
"49125"	844.294871	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M-2H+NH4"	16.019271
"489413"	1258.432671	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M-2H+NH4"	16.019271
"870131"	430.157071	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-2H+NH4"	16.019271
"31710"	849.250266	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M-2H+Na"	20.974666
"474309"	1263.388066	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M-2H+Na"	20.974666
"849560"	435.112466	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-2H+Na"	20.974666
"1619459"	435.112466	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Na-2H"	20.974666
"100369"	431.118863	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M-H+Cl"	33.962126
"546491"	638.187763	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M-H+Cl"	33.962126
"936725"	224.049963	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-H+Cl"	33.962126
"269082"	863.245002	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+Cl"	34.969402
"662230"	1277.382802	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+Cl"	34.969402
"1274511"	449.107202	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Cl"	34.969402
"17434"	865.224206	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M-2H+K"	36.948606
"457236"	1279.362006	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M-2H+K"	36.948606
"836741"	451.086406	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-2H+K"	36.948606
"1560231"	451.086406	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+K-2H"	36.948606
"948112"	459.135994	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-H+HCOOH"	44.998194
"367422"	873.273801	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+HCOOH-H"	44.998201
"355679"	887.289451	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+Hac-H"	59.013851
"1503419"	473.151651	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Hac-H"	59.013851
"967678"	481.117951	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-H+NaCOOH"	66.980151
"115859"	449.107202	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+2Cl"	69.938804
"551410"	656.176102	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+2Cl"	69.938804
"1024949"	242.038302	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2Cl"	69.938804
"1243798"	493.056685	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Br"	78.918885
"1305153"	495.112672	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Cl+HCOOH"	80.974872
"1321554"	517.094629	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Cl+NaCOOH"	102.956829
"917723"	527.123386	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M-H+CF3COOH"	112.985586
"1295527"	563.100064	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Cl+CF3COOH"	148.962264
"1374780"	379.125124	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H-2H2O"	-35.012676
"1387905"	397.1351	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H-H2O"	-17.0027
"285405"	829.282876	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+H"	1.007276
"677825"	1243.420676	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+H"	1.007276
"1354175"	415.145076	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H"	1.007276
"130344"	415.145076	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+2H"	2.014552
"574278"	622.213976	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+2H"	2.014552
"1046364"	208.076176	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2H"	2.014552
"213170"	277.099142666667	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+3H"	3.021828
"651636"	415.145076	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+3H"	3.021828
"1171950"	139.053209333333	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+3H"	3.021828
"436316"	846.309423	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+NH4"	18.033823
"786379"	1260.447223	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+NH4"	18.033823
"1682468"	432.171623	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+NH4"	18.033823
"331353"	423.6583495	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+H+NH4"	19.041099
"723042"	630.7272495	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+H+NH4"	19.041099
"1477178"	216.5894495	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H+NH4"	19.041099
"395181"	851.264818	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+Na"	22.989218
"754277"	1265.402618	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+Na"	22.989218
"1603666"	437.127018	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Na"	22.989218
"316502"	426.136047	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+H+Na"	23.996494
"707247"	633.204947	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+H+Na"	23.996494
"1461555"	219.067147	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H+Na"	23.996494
"1061100"	146.380523333333	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2H+Na"	25.00377
"1261686"	447.171286	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+CH3OH+H"	33.033486
"381353"	867.238758	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+K"	38.963158
"739793"	1281.376558	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+K"	38.963158
"1543306"	453.100958	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+K"	38.963158
"298894"	434.123017	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+H+K"	39.970434
"693998"	641.191917	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+H+K"	39.970434
"1449275"	227.054117	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H+K"	39.970434
"238604"	870.309426	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+ACN+H"	42.033826
"1212406"	456.171626	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+ACN+H"	42.033826
"1199578"	228.589451	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+ACN+2H"	43.041102
"194633"	873.24676	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+2Na-H"	44.97116
"635290"	1287.38456	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+2Na-H"	44.97116
"1140980"	459.10896	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2Na-H"	44.97116
"180994"	437.127018	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+2Na"	45.978436
"622747"	644.195918	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+2Na"	45.978436
"1126252"	230.058118	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2Na"	45.978436
"1408686"	153.707837333333	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H+2Na"	46.985712
"1442987"	461.150546	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H+HCOOH"	47.012746
"227212"	442.16004	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+3H2O+2H"	56.04448
"1513087"	475.20259	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+IsoProp+H"	61.06479
"416051"	445.113988	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+Na+K"	61.952376
"779234"	652.182888	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+Na+K"	61.952376
"1671192"	238.045088	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Na+K"	61.952376
"256257"	892.291368	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+ACN+Na"	64.015768
"1231154"	478.153568	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+ACN+Na"	64.015768
"1717488"	478.177093	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+NH4+HCOOH"	64.039293
"1187944"	161.035151333333	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+3Na"	68.967654
"1655650"	483.132488	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Na+HCOOH"	68.994688
"165792"	905.19464	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+2K-H"	76.91904
"602071"	1319.33244	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+2K-H"	76.91904
"1093144"	491.05684	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2K-H"	76.91904
"153242"	453.100958	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"2M+2K"	77.926316
"594991"	660.169858	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"3M+2K"	77.926316
"1072940"	246.032058	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2K"	77.926316
"1107244"	493.071392	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2K+H"	78.933592
"1344722"	493.159007	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+DMSO+H"	79.021207
"1019085"	497.198176	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2ACN+H"	83.060376
"1526637"	498.191808	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+IsoProp+Na+H"	84.054008
"991994"	249.102726	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+2ACN+2H"	84.067652
"1601094"	499.106428	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+K+HCOOH"	84.968628
"1427845"	529.137938	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+H+CF3COOH"	115.000138
"1158135"	269.616001	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+3ACN+2H"	125.094202
"1710967"	546.164485	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+NH4+CF3COOH"	132.026685
"1642242"	551.11988	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+Na+CF3COOH"	136.98208
"1574612"	567.09382	"C07001"	"Flecainide"	"C17H20F6N2O3"	"414.1378"	"M+K+CF3COOH"	152.95602
"813728"	380.1999	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M"	0
"980700"	361.18151	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-H2O-H"	-19.01839
"65660"	252.459324	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M-3H"	-3.021828
"504004"	379.192624	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M-3H"	-3.021828
"880008"	125.726024	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-3H"	-3.021828
"1590"	379.192624	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M-2H"	-2.014552
"453193"	569.292574	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M-2H"	-2.014552
"826621"	189.092674	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-2H"	-2.014552
"86612"	759.392524	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M-H"	-1.007276
"527267"	1139.592424	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M-H"	-1.007276
"896319"	379.192624	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-H"	-1.007276
"50695"	776.419071	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M-2H+NH4"	16.019271
"490255"	1156.618971	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M-2H+NH4"	16.019271
"868055"	396.219171	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-2H+NH4"	16.019271
"31982"	781.374466	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M-2H+Na"	20.974666
"472961"	1161.574366	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M-2H+Na"	20.974666
"850034"	401.174566	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-2H+Na"	20.974666
"1626137"	401.174566	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Na-2H"	20.974666
"105947"	397.180963	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M-H+Cl"	33.962126
"543320"	587.280913	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M-H+Cl"	33.962126
"936835"	207.081013	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-H+Cl"	33.962126
"269923"	795.369202	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+Cl"	34.969402
"660880"	1175.569102	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+Cl"	34.969402
"1273042"	415.169302	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Cl"	34.969402
"17058"	797.348406	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M-2H+K"	36.948606
"456861"	1177.548306	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M-2H+K"	36.948606
"835758"	417.148506	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-2H+K"	36.948606
"1563621"	417.148506	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+K-2H"	36.948606
"948222"	425.198094	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-H+HCOOH"	44.998194
"367532"	805.398001	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+HCOOH-H"	44.998201
"355789"	819.413651	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+Hac-H"	59.013851
"1502436"	439.213751	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Hac-H"	59.013851
"968518"	447.180051	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-H+NaCOOH"	66.980151
"115605"	415.169302	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+2Cl"	69.938804
"552249"	605.269252	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+2Cl"	69.938804
"1022143"	225.069352	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2Cl"	69.938804
"1242451"	459.118785	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Br"	78.918885
"1304654"	461.174772	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Cl+HCOOH"	80.974872
"1320327"	483.156729	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Cl+NaCOOH"	102.956829
"911480"	493.185486	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M-H+CF3COOH"	112.985586
"1298916"	529.162164	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Cl+CF3COOH"	148.962264
"1371609"	345.187224	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H-2H2O"	-35.012676
"1388015"	363.1972	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H-H2O"	-17.0027
"283123"	761.407076	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+H"	1.007276
"676151"	1141.606976	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+H"	1.007276
"1359753"	381.207176	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H"	1.007276
"130455"	381.207176	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+2H"	2.014552
"571108"	571.307126	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+2H"	2.014552
"1044285"	191.107226	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2H"	2.014552
"211093"	254.473876	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+3H"	3.021828
"651744"	381.207176	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+3H"	3.021828
"1172060"	127.740576	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+3H"	3.021828
"439223"	778.433623	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+NH4"	18.033823
"787951"	1158.633523	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+NH4"	18.033823
"1687196"	398.233723	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+NH4"	18.033823
"332195"	389.7204495	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+H+NH4"	19.041099
"725709"	579.8203995	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+H+NH4"	19.041099
"1478435"	199.6204995	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H+NH4"	19.041099
"397114"	783.389018	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+Na"	22.989218
"755920"	1163.588918	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+Na"	22.989218
"1603170"	403.189118	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Na"	22.989218
"318434"	392.198147	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+H+Na"	23.996494
"707320"	582.298097	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+H+Na"	23.996494
"1461424"	202.098197	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H+Na"	23.996494
"1062304"	135.06789	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2H+Na"	25.00377
"1261796"	413.233386	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+CH3OH+H"	33.033486
"382556"	799.362958	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+K"	38.963158
"741362"	1179.562858	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+K"	38.963158
"1547790"	419.163058	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+K"	38.963158
"302044"	400.185117	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+H+K"	39.970434
"693012"	590.285067	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+H+K"	39.970434
"1447930"	210.085167	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H+K"	39.970434
"239810"	802.433626	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+ACN+H"	42.033826
"1212516"	422.233726	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+ACN+H"	42.033826
"1201877"	211.620501	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+ACN+2H"	43.041102
"193652"	805.37096	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+2Na-H"	44.97116
"634307"	1185.57086	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+2Na-H"	44.97116
"1141090"	425.17106	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2Na-H"	44.97116
"184750"	403.189118	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+2Na"	45.978436
"621764"	593.289068	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+2Na"	45.978436
"1127456"	213.089168	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2Na"	45.978436
"1412807"	142.395204	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H+2Na"	46.985712
"1443827"	427.212646	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H+HCOOH"	47.012746
"229509"	408.22214	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+3H2O+2H"	56.04448
"1516477"	441.26469	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+IsoProp+H"	61.06479
"413974"	411.176088	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+Na+K"	61.952376
"777157"	601.276038	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+Na+K"	61.952376
"1672396"	221.076138	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Na+K"	61.952376
"258916"	824.415568	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+ACN+Na"	64.015768
"1230171"	444.215668	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+ACN+Na"	64.015768
"1718692"	444.239193	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+NH4+HCOOH"	64.039293
"1185869"	149.722518	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+3Na"	68.967654
"1656855"	449.194588	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Na+HCOOH"	68.994688
"164809"	837.31884	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+2K-H"	76.91904
"604369"	1217.51874	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+2K-H"	76.91904
"1093255"	457.11894	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2K-H"	76.91904
"153353"	419.163058	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"2M+2K"	77.926316
"595954"	609.263008	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"3M+2K"	77.926316
"1073051"	229.063108	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2K"	77.926316
"1108447"	459.133492	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2K+H"	78.933592
"1347019"	459.221107	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+DMSO+H"	79.021207
"1018952"	463.260276	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2ACN+H"	83.060376
"1526383"	464.253908	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+IsoProp+Na+H"	84.054008
"992835"	232.133776	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+2ACN+2H"	84.067652
"1600844"	465.168528	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+K+HCOOH"	84.968628
"1428688"	495.200038	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+H+CF3COOH"	115.000138
"1159338"	252.647051	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+3ACN+2H"	125.094202
"1709983"	512.226585	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+NH4+CF3COOH"	132.026685
"1642353"	517.18198	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+Na+CF3COOH"	136.98208
"1573629"	533.15592	"C07004"	"Fludrocortisone"	"C21H29FO5"	"380.1999"	"M+K+CF3COOH"	152.95602
"810558"	434.2105	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M"	0
"981903"	415.19211	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-H2O-H"	-19.01839
"64677"	288.466390666667	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M-3H"	-3.021828
"503872"	433.203224	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M-3H"	-3.021828
"882034"	143.729557333333	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-3H"	-3.021828
"1701"	433.203224	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H"	-2.014552
"452210"	650.308474	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H"	-2.014552
"826731"	216.097974	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-2H"	-2.014552
"83442"	867.413724	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M-H"	-1.007276
"524097"	1301.624224	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M-H"	-1.007276
"897033"	433.203224	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-H"	-1.007276
"48618"	884.440271	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H+NH4"	16.019271
"489268"	1318.650771	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H+NH4"	16.019271
"866344"	450.229771	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-2H+NH4"	16.019271
"33875"	889.395666	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H+Na"	20.974666
"472707"	1323.606166	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H+Na"	20.974666
"850873"	455.185166	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-2H+Na"	20.974666
"1626247"	455.185166	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Na-2H"	20.974666
"99496"	451.191563	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M-H+Cl"	33.962126
"537962"	668.296813	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M-H+Cl"	33.962126
"936945"	234.086313	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-H+Cl"	33.962126
"270033"	903.390402	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+Cl"	34.969402
"660626"	1337.600902	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+Cl"	34.969402
"1273395"	469.179902	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl"	34.969402
"16272"	905.369606	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H+K"	36.948606
"457092"	1339.580106	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H+K"	36.948606
"838055"	471.159106	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-2H+K"	36.948606
"1558262"	471.159106	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+K-2H"	36.948606
"948331"	479.208694	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-H+HCOOH"	44.998194
"366549"	913.419201	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+HCOOH-H"	44.998201
"353713"	927.434851	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+Hac-H"	59.013851
"1500357"	493.224351	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Hac-H"	59.013851
"969721"	501.190651	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-H+NaCOOH"	66.980151
"113163"	469.179902	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+2Cl"	69.938804
"550332"	686.285152	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+2Cl"	69.938804
"1023347"	252.074652	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2Cl"	69.938804
"1241668"	513.129385	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Br"	78.918885
"1307194"	515.185372	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl+HCOOH"	80.974872
"1321043"	537.167329	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl+NaCOOH"	102.956829
"912834"	547.196086	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M-H+CF3COOH"	112.985586
"1290031"	583.172764	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl+CF3COOH"	148.962264
"1371719"	399.197824	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H-2H2O"	-35.012676
"1392497"	417.2078	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H-H2O"	-17.0027
"283311"	869.428276	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+H"	1.007276
"675885"	1303.638776	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+H"	1.007276
"1358770"	435.217776	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H"	1.007276
"130565"	435.217776	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+2H"	2.014552
"571218"	652.323026	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+2H"	2.014552
"1043303"	218.112526	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2H"	2.014552
"211203"	290.480942666667	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+3H"	3.021828
"650762"	435.217776	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+3H"	3.021828
"1177638"	145.744109333333	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+3H"	3.021828
"439334"	886.454823	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+NH4"	18.033823
"790977"	1320.665323	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+NH4"	18.033823
"1687306"	452.244323	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+NH4"	18.033823
"333398"	443.7310495	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+H+NH4"	19.041099
"726913"	660.8362995	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+H+NH4"	19.041099
"1484013"	226.6257995	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H+NH4"	19.041099
"397225"	891.410218	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+Na"	22.989218
"758217"	1325.620718	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+Na"	22.989218
"1603522"	457.199718	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Na"	22.989218
"317451"	446.208747	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+H+Na"	23.996494
"707229"	663.313997	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+H+Na"	23.996494
"1461496"	229.103497	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H+Na"	23.996494
"1062415"	153.071423333333	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2H+Na"	25.00377
"1263000"	467.243986	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+CH3OH+H"	33.033486
"382666"	907.384158	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+K"	38.963158
"741836"	1341.594658	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+K"	38.963158
"1547900"	473.173658	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+K"	38.963158
"300332"	454.195717	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+H+K"	39.970434
"693484"	671.300967	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+H+K"	39.970434
"1450588"	237.090467	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H+K"	39.970434
"241377"	910.454826	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+ACN+H"	42.033826
"1213354"	476.244326	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+ACN+H"	42.033826
"1197613"	238.625801	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+ACN+2H"	43.041102
"195948"	913.39216	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+2Na-H"	44.97116
"633323"	1347.60266	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+2Na-H"	44.97116
"1140107"	479.18166	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2Na-H"	44.97116
"184860"	457.199718	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+2Na"	45.978436
"620781"	674.304968	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+2Na"	45.978436
"1123192"	240.094468	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2Na"	45.978436
"1411094"	160.398737333333	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H+2Na"	46.985712
"1440657"	481.223246	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H+HCOOH"	47.012746
"229623"	462.23274	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+3H2O+2H"	56.04448
"1515494"	495.27529	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+IsoProp+H"	61.06479
"416271"	465.186688	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+Na+K"	61.952376
"779455"	682.291938	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+Na+K"	61.952376
"1671412"	248.081438	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Na+K"	61.952376
"260119"	932.436768	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+ACN+Na"	64.015768
"1228459"	498.226268	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+ACN+Na"	64.015768
"1718073"	498.249793	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+NH4+HCOOH"	64.039293
"1185979"	167.726051333333	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+3Na"	68.967654
"1656235"	503.205188	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Na+HCOOH"	68.994688
"163824"	945.34004	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+2K-H"	76.91904
"603386"	1379.55054	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+2K-H"	76.91904
"1092271"	511.12954	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2K-H"	76.91904
"152371"	473.173658	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"2M+2K"	77.926316
"593876"	690.278908	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"3M+2K"	77.926316
"1073161"	256.068408	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2K"	77.926316
"1110744"	513.144092	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2K+H"	78.933592
"1347129"	513.231707	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+DMSO+H"	79.021207
"1016755"	517.270876	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2ACN+H"	83.060376
"1524790"	518.264508	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+IsoProp+Na+H"	84.054008
"992581"	259.139076	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+2ACN+2H"	84.067652
"1591462"	519.179128	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+K+HCOOH"	84.968628
"1428797"	549.210638	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+H+CF3COOH"	115.000138
"1161635"	279.652351	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+3ACN+2H"	125.094202
"1711186"	566.237185	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+NH4+CF3COOH"	132.026685
"1642463"	571.19258	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+Na+CF3COOH"	136.98208
"1577019"	587.16652	"C07005"	"Flunisolide;Flunisolide anhydrous"	"C24H31FO6"	"434.2105"	"M+K+CF3COOH"	152.95602
"813948"	412.1697	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M"	0
"980920"	393.15131	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-H2O-H"	-19.01839
"64787"	273.772524	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M-3H"	-3.021828
"503657"	411.162424	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M-3H"	-3.021828
"882508"	136.382624	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-3H"	-3.021828
"3998"	411.162424	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M-2H"	-2.014552
"452320"	617.247274	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M-2H"	-2.014552
"827935"	205.077574	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-2H"	-2.014552
"85739"	823.332124	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M-H"	-1.007276
"527487"	1235.501824	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M-H"	-1.007276
"897147"	411.162424	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-H"	-1.007276
"54195"	840.358671	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M-2H+NH4"	16.019271
"491569"	1252.528371	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M-2H+NH4"	16.019271
"871557"	428.188971	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-2H+NH4"	16.019271
"35079"	845.314066	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M-2H+Na"	20.974666
"475005"	1257.483766	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M-2H+Na"	20.974666
"851715"	433.144366	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-2H+Na"	20.974666
"1626357"	433.144366	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Na-2H"	20.974666
"99606"	429.150763	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M-H+Cl"	33.962126
"539165"	635.235613	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M-H+Cl"	33.962126
"937055"	223.065913	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-H+Cl"	33.962126
"270143"	859.308802	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+Cl"	34.969402
"662562"	1271.478502	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+Cl"	34.969402
"1277153"	447.139102	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Cl"	34.969402
"19709"	861.288006	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M-2H+K"	36.948606
"460362"	1273.457706	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M-2H+K"	36.948606
"837072"	449.118306	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-2H+K"	36.948606
"1560560"	449.118306	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+K-2H"	36.948606
"948442"	457.167894	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-H+HCOOH"	44.998194
"371033"	869.337601	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+HCOOH-H"	44.998201
"352730"	883.353251	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+Hac-H"	59.013851
"1500467"	471.183551	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Hac-H"	59.013851
"968008"	479.149851	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-H+NaCOOH"	66.980151
"114732"	447.139102	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+2Cl"	69.938804
"553561"	653.223952	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+2Cl"	69.938804
"1024911"	241.054252	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2Cl"	69.938804
"1244128"	491.088585	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Br"	78.918885
"1309492"	493.144572	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Cl+HCOOH"	80.974872
"1323707"	515.126529	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Cl+NaCOOH"	102.956829
"912945"	525.155286	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M-H+CF3COOH"	112.985586
"1290386"	561.131964	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Cl+CF3COOH"	148.962264
"1371829"	377.157024	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H-2H2O"	-35.012676
"1393701"	395.167	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H-H2O"	-17.0027
"286829"	825.346676	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+H"	1.007276
"682529"	1237.516376	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+H"	1.007276
"1354506"	413.176976	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H"	1.007276
"132861"	413.176976	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+2H"	2.014552
"573514"	619.261826	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+2H"	2.014552
"1044507"	207.092126	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2H"	2.014552
"206940"	275.787076	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+3H"	3.021828
"649048"	413.176976	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+3H"	3.021828
"1177627"	138.397176	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+3H"	3.021828
"433365"	842.373223	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+NH4"	18.033823
"791087"	1254.542923	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+NH4"	18.033823
"1688511"	430.203523	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+NH4"	18.033823
"336788"	421.6902495	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+H+NH4"	19.041099
"728116"	627.7750995	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+H+NH4"	19.041099
"1486309"	215.6053995	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H+NH4"	19.041099
"402801"	847.328618	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+Na"	22.989218
"759420"	1259.498318	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+Na"	22.989218
"1608618"	435.158918	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Na"	22.989218
"318654"	424.167947	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+H+Na"	23.996494
"708156"	630.252797	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+H+Na"	23.996494
"1463803"	218.083097	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H+Na"	23.996494
"1057056"	145.72449	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2H+Na"	25.00377
"1263110"	445.203186	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+CH3OH+H"	33.033486
"382775"	863.302558	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+K"	38.963158
"741582"	1275.472258	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+K"	38.963158
"1543633"	451.132858	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+K"	38.963158
"303357"	432.154917	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+H+K"	39.970434
"695782"	638.239767	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+H+K"	39.970434
"1451061"	226.070067	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H+K"	39.970434
"242580"	866.373226	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+ACN+H"	42.033826
"1217109"	454.203526	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+ACN+H"	42.033826
"1198814"	227.605401	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+ACN+2H"	43.041102
"192413"	869.31056	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+2Na-H"	44.97116
"633433"	1281.48026	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+2Na-H"	44.97116
"1140217"	457.14086	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2Na-H"	44.97116
"180231"	435.158918	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+2Na"	45.978436
"620891"	641.243768	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+2Na"	45.978436
"1123302"	229.074068	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2Na"	45.978436
"1408290"	153.051804	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H+2Na"	46.985712
"1440037"	459.182446	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H+HCOOH"	47.012746
"230826"	440.19194	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+3H2O+2H"	56.04448
"1513417"	473.23449	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+IsoProp+H"	61.06479
"413102"	443.145888	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+Na+K"	61.952376
"775552"	649.230738	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+Na+K"	61.952376
"1670429"	237.061038	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Na+K"	61.952376
"260229"	888.355168	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+ACN+Na"	64.015768
"1226380"	476.185468	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+ACN+Na"	64.015768
"1715267"	476.208993	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+NH4+HCOOH"	64.039293
"1184994"	160.379118	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+3Na"	68.967654
"1656346"	481.164388	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Na+HCOOH"	68.994688
"166121"	901.25844	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+2K-H"	76.91904
"604589"	1313.42814	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+2K-H"	76.91904
"1091291"	489.08874	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2K-H"	76.91904
"153572"	451.132858	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"2M+2K"	77.926316
"592040"	657.217708	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"3M+2K"	77.926316
"1070111"	245.048008	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2K"	77.926316
"1102470"	491.103292	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2K+H"	78.933592
"1346146"	491.190907	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+DMSO+H"	79.021207
"1018321"	495.230076	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2ACN+H"	83.060376
"1525265"	496.223708	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+IsoProp+Na+H"	84.054008
"992691"	248.118676	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+2ACN+2H"	84.067652
"1594853"	497.138328	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+K+HCOOH"	84.968628
"1428177"	527.169838	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+H+CF3COOH"	115.000138
"1159558"	268.631951	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+3ACN+2H"	125.094202
"1711296"	544.196385	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+NH4+CF3COOH"	132.026685
"1642573"	549.15178	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+Na+CF3COOH"	136.98208
"1571498"	565.12572	"C07006"	"Fluocinolone"	"C21H26F2O6"	"412.1697"	"M+K+CF3COOH"	152.95602
"814058"	494.2116	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M"	0
"986864"	475.19321	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-H2O-H"	-19.01839
"65991"	328.467124	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M-3H"	-3.021828
"504457"	493.204324	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M-3H"	-3.021828
"881889"	163.729924	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-3H"	-3.021828
"2651"	493.204324	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M-2H"	-2.014552
"454983"	740.310124	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M-2H"	-2.014552
"830962"	246.098524	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-2H"	-2.014552
"93139"	987.415924	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M-H"	-1.007276
"527597"	1481.627524	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M-H"	-1.007276
"898839"	493.204324	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-H"	-1.007276
"61718"	1004.442471	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M-2H+NH4"	16.019271
"501277"	1498.654071	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M-2H+NH4"	16.019271
"878836"	510.230871	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-2H+NH4"	16.019271
"37381"	1009.397866	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M-2H+Na"	20.974666
"475847"	1503.609466	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M-2H+Na"	20.974666
"853648"	515.186266	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-2H+Na"	20.974666
"1629747"	515.186266	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Na-2H"	20.974666
"106277"	511.192663	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M-H+Cl"	33.962126
"543650"	758.298463	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M-H+Cl"	33.962126
"937165"	264.086863	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-H+Cl"	33.962126
"271347"	1023.392602	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+Cl"	34.969402
"667046"	1517.604202	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+Cl"	34.969402
"1280543"	529.181002	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Cl"	34.969402
"19819"	1025.371806	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M-2H+K"	36.948606
"460472"	1519.583406	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M-2H+K"	36.948606
"840462"	531.160206	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-2H+K"	36.948606
"1560670"	531.160206	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+K-2H"	36.948606
"948552"	539.209794	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-H+HCOOH"	44.998194
"367861"	1033.421401	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+HCOOH-H"	44.998201
"352839"	1047.437051	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+Hac-H"	59.013851
"1500577"	553.225451	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Hac-H"	59.013851
"969211"	561.191751	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-H+NaCOOH"	66.980151
"114842"	529.181002	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+2Cl"	69.938804
"553307"	776.286802	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+2Cl"	69.938804
"1024294"	282.075202	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2Cl"	69.938804
"1244967"	573.130485	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Br"	78.918885
"1310694"	575.186472	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Cl+HCOOH"	80.974872
"1323817"	597.168429	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Cl+NaCOOH"	102.956829
"913056"	607.197186	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M-H+CF3COOH"	112.985586
"1290131"	643.173864	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Cl+CF3COOH"	148.962264
"1372302"	459.198924	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H-2H2O"	-35.012676
"1391624"	477.2089	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H-H2O"	-17.0027
"294590"	989.430476	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+H"	1.007276
"683733"	1483.642076	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+H"	1.007276
"1354248"	495.218876	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H"	1.007276
"134064"	495.218876	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+2H"	2.014552
"570344"	742.324676	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+2H"	2.014552
"1038780"	248.113076	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2H"	2.014552
"210324"	330.481676	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+3H"	3.021828
"646967"	495.218876	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+3H"	3.021828
"1165097"	165.744476	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+3H"	3.021828
"426544"	1006.457023	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+NH4"	18.033823
"786335"	1500.668623	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+NH4"	18.033823
"1686433"	512.245423	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+NH4"	18.033823
"336897"	503.7321495	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+H+NH4"	19.041099
"726039"	750.8379495	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+H+NH4"	19.041099
"1483139"	256.6263495	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H+NH4"	19.041099
"398537"	1011.412418	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+Na"	22.989218
"758071"	1505.624018	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+Na"	22.989218
"1608728"	517.200818	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Na"	22.989218
"315967"	506.209847	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+H+Na"	23.996494
"708751"	753.315647	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+H+Na"	23.996494
"1463913"	259.104047	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H+Na"	23.996494
"1056070"	173.07179	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2H+Na"	25.00377
"1258478"	527.245086	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+CH3OH+H"	33.033486
"378508"	1027.386358	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+K"	38.963158
"741692"	1521.597958	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+K"	38.963158
"1543379"	533.174758	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+K"	38.963158
"301644"	514.196817	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+H+K"	39.970434
"694796"	761.302617	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+H+K"	39.970434
"1448252"	267.091017	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H+K"	39.970434
"237947"	1030.457026	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+ACN+H"	42.033826
"1215396"	536.245426	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+ACN+H"	42.033826
"1202201"	268.626351	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+ACN+2H"	43.041102
"192159"	1033.39436	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+2Na-H"	44.97116
"632811"	1527.60596	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+2Na-H"	44.97116
"1141420"	539.18276	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2Na-H"	44.97116
"178149"	517.200818	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+2Na"	45.978436
"615530"	764.306618	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+2Na"	45.978436
"1116970"	270.095018	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2Na"	45.978436
"1406935"	180.399104	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H+2Na"	46.985712
"1436863"	541.224346	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H+HCOOH"	47.012746
"221576"	522.23384	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+3H2O+2H"	56.04448
"1511339"	555.27639	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+IsoProp+H"	61.06479
"411751"	525.187788	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+Na+K"	61.952376
"776393"	772.293588	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+Na+K"	61.952376
"1667988"	278.081988	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Na+K"	61.952376
"257057"	1052.438968	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+ACN+Na"	64.015768
"1227949"	558.227368	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+ACN+Na"	64.015768
"1715376"	558.250893	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+NH4+HCOOH"	64.039293
"1181824"	187.726418	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+3Na"	68.967654
"1654633"	563.206288	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Na+HCOOH"	68.994688
"164045"	1065.34224	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+2K-H"	76.91904
"600324"	1559.55384	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+2K-H"	76.91904
"1088117"	571.13064	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2K-H"	76.91904
"151495"	533.174758	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"2M+2K"	77.926316
"589965"	780.280558	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"3M+2K"	77.926316
"1073379"	286.068958	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2K"	77.926316
"1102215"	573.145192	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2K+H"	78.933592
"1342974"	573.232807	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+DMSO+H"	79.021207
"1014786"	577.271976	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2ACN+H"	83.060376
"1525497"	578.265608	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+IsoProp+Na+H"	84.054008
"990243"	289.139626	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+2ACN+2H"	84.067652
"1593870"	579.180228	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+K+HCOOH"	84.968628
"1428285"	609.211738	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+H+CF3COOH"	115.000138
"1154199"	309.652901	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+3ACN+2H"	125.094202
"1704845"	626.238285	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+NH4+CF3COOH"	132.026685
"1635392"	631.19368	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+Na+CF3COOH"	136.98208
"1571323"	647.16762	"C07007"	"Fluocinonide"	"C26H32F2O7"	"494.2116"	"M+K+CF3COOH"	152.95602
"814168"	437.1749	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M"	0
"981140"	418.15651	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-H2O-H"	-19.01839
"65008"	290.442657333333	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M-3H"	-3.021828
"503228"	436.167624	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M-3H"	-3.021828
"881999"	144.717690666667	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-3H"	-3.021828
"1668"	436.167624	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M-2H"	-2.014552
"452176"	654.755074	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M-2H"	-2.014552
"830709"	217.580174	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-2H"	-2.014552
"90335"	873.342524	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M-H"	-1.007276
"530625"	1310.517424	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M-H"	-1.007276
"902229"	436.167624	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-H"	-1.007276
"57696"	890.369071	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M-2H+NH4"	16.019271
"498349"	1327.543971	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M-2H+NH4"	16.019271
"876150"	453.194171	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-2H+NH4"	16.019271
"35304"	895.324466	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M-2H+Na"	20.974666
"474864"	1332.499366	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M-2H+Na"	20.974666
"855945"	458.149566	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-2H+Na"	20.974666
"1629857"	458.149566	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Na-2H"	20.974666
"106387"	454.155963	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M-H+Cl"	33.962126
"543760"	672.743413	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M-H+Cl"	33.962126
"937275"	235.568513	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-H+Cl"	33.962126
"271457"	909.319202	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+Cl"	34.969402
"667156"	1346.494102	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+Cl"	34.969402
"1281747"	472.144302	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Cl"	34.969402
"21022"	911.298406	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M-2H+K"	36.948606
"461675"	1348.473306	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M-2H+K"	36.948606
"842759"	474.123506	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-2H+K"	36.948606
"1562966"	474.123506	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+K-2H"	36.948606
"950849"	482.173094	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-H+HCOOH"	44.998194
"372343"	919.348001	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+HCOOH-H"	44.998201
"351854"	933.363651	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+Hac-H"	59.013851
"1497407"	496.188751	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Hac-H"	59.013851
"967134"	504.155051	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-H+NaCOOH"	66.980151
"113859"	472.144302	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+2Cl"	69.938804
"552688"	690.731752	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+2Cl"	69.938804
"1024404"	253.556852	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2Cl"	69.938804
"1247264"	516.093785	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Br"	78.918885
"1308618"	518.149772	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Cl+HCOOH"	80.974872
"1323927"	540.131729	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Cl+NaCOOH"	102.956829
"912802"	550.160486	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M-H+CF3COOH"	112.985586
"1289876"	586.137164	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Cl+CF3COOH"	148.962264
"1372412"	402.162224	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H-2H2O"	-35.012676
"1382858"	420.1722	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H-H2O"	-17.0027
"293607"	875.357076	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+H"	1.007276
"684934"	1312.531976	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+H"	1.007276
"1355819"	438.182176	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H"	1.007276
"135267"	438.182176	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+2H"	2.014552
"571546"	656.769626	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+2H"	2.014552
"1040348"	219.594726	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2H"	2.014552
"208247"	292.457209333333	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+3H"	3.021828
"646350"	438.182176	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+3H"	3.021828
"1164114"	146.732242666667	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+3H"	3.021828
"425563"	892.383623	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+NH4"	18.033823
"791306"	1329.558523	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+NH4"	18.033823
"1689823"	455.208723	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+NH4"	18.033823
"338102"	446.6954495	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+H+NH4"	19.041099
"729431"	665.2828995	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+H+NH4"	19.041099
"1482156"	228.1079995	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H+NH4"	19.041099
"399741"	897.339018	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+Na"	22.989218
"758548"	1334.513918	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+Na"	22.989218
"1607745"	460.164118	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Na"	22.989218
"315593"	449.173147	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+H+Na"	23.996494
"708497"	667.760597	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+H+Na"	23.996494
"1464023"	230.585697	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H+Na"	23.996494
"1058367"	154.059556666667	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2H+Na"	25.00377
"1264421"	470.208386	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+CH3OH+H"	33.033486
"381900"	913.312958	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+K"	38.963158
"741802"	1350.487858	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+K"	38.963158
"1543854"	476.138058	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+K"	38.963158
"302483"	457.160117	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+H+K"	39.970434
"696729"	675.747567	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+H+K"	39.970434
"1448727"	238.572667	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H+K"	39.970434
"238058"	916.383626	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+ACN+H"	42.033826
"1216234"	479.208726	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+ACN+H"	42.033826
"1202311"	240.108001	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+ACN+2H"	43.041102
"194092"	919.32096	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+2Na-H"	44.97116
"634745"	1356.49586	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+2Na-H"	44.97116
"1138250"	482.14606	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2Na-H"	44.97116
"174856"	460.164118	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+2Na"	45.978436
"620014"	678.751568	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+2Na"	45.978436
"1121334"	241.576668	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2Na"	45.978436
"1404859"	161.386870666667	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H+2Na"	46.985712
"1433694"	484.187646	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H+HCOOH"	47.012746
"220227"	465.19714	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+3H2O+2H"	56.04448
"1511083"	498.23969	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+IsoProp+H"	61.06479
"412593"	468.151088	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+Na+K"	61.952376
"776503"	686.738538	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+Na+K"	61.952376
"1669557"	249.563638	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Na+K"	61.952376
"257169"	938.365568	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+ACN+Na"	64.015768
"1228785"	501.190668	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+ACN+Na"	64.015768
"1720225"	501.214193	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+NH4+HCOOH"	64.039293
"1184486"	168.714184666667	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+3Na"	68.967654
"1654378"	506.169588	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Na+HCOOH"	68.994688
"160147"	951.26884	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+2K-H"	76.91904
"602622"	1388.44374	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+2K-H"	76.91904
"1090414"	514.09394	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2K-H"	76.91904
"149419"	476.138058	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"2M+2K"	77.926316
"592260"	694.725508	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"3M+2K"	77.926316
"1073490"	257.550608	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2K"	77.926316
"1102325"	516.108492	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2K+H"	78.933592
"1343086"	516.196107	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+DMSO+H"	79.021207
"1014896"	520.235276	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2ACN+H"	83.060376
"1525121"	521.228908	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+IsoProp+Na+H"	84.054008
"990477"	260.621276	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+2ACN+2H"	84.067652
"1593979"	522.143528	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+K+HCOOH"	84.968628
"1429490"	552.175038	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+H+CF3COOH"	115.000138
"1151029"	281.134551	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+3ACN+2H"	125.094202
"1699487"	569.201585	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+NH4+CF3COOH"	132.026685
"1635138"	574.15698	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+Na+CF3COOH"	136.98208
"1571393"	590.13092	"C07010"	"Fluphenazine"	"C22H26F3N3OS"	"437.1749"	"M+K+CF3COOH"	152.95602
"814278"	411.1846	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M"	0
"977969"	392.16621	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-H2O-H"	-19.01839
"63129"	273.115790666667	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M-3H"	-3.021828
"503134"	410.177324	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M-3H"	-3.021828
"883566"	136.054257333333	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-3H"	-3.021828
"3235"	410.177324	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M-2H"	-2.014552
"449368"	615.769624	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M-2H"	-2.014552
"830090"	204.585024	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-2H"	-2.014552
"90445"	821.361924	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M-H"	-1.007276
"528913"	1232.546524	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M-H"	-1.007276
"899059"	410.177324	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-H"	-1.007276
"57806"	838.388471	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M-2H+NH4"	16.019271
"498460"	1249.573071	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M-2H+NH4"	16.019271
"878084"	427.203871	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-2H+NH4"	16.019271
"40882"	843.343866	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M-2H+Na"	20.974666
"478255"	1254.528466	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M-2H+Na"	20.974666
"853869"	432.159266	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-2H+Na"	20.974666
"1628874"	432.159266	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Na-2H"	20.974666
"107594"	428.165663	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M-H+Cl"	33.962126
"548854"	633.757963	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M-H+Cl"	33.962126
"940665"	222.573363	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-H+Cl"	33.962126
"274848"	857.338602	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+Cl"	34.969402
"668361"	1268.523202	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+Cl"	34.969402
"1279672"	446.154002	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Cl"	34.969402
"23320"	859.317806	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M-2H+K"	36.948606
"463974"	1270.502406	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M-2H+K"	36.948606
"846515"	448.133206	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-2H+K"	36.948606
"1566357"	448.133206	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+K-2H"	36.948606
"953146"	456.182794	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-H+HCOOH"	44.998194
"370267"	867.367401	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+HCOOH-H"	44.998201
"354150"	881.383051	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+Hac-H"	59.013851
"1497517"	470.198451	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Hac-H"	59.013851
"967245"	478.164751	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-H+NaCOOH"	66.980151
"120531"	446.154002	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+2Cl"	69.938804
"556809"	651.746302	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+2Cl"	69.938804
"1031076"	240.561702	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2Cl"	69.938804
"1244093"	490.103485	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Br"	78.918885
"1308727"	492.159472	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Cl+HCOOH"	80.974872
"1320110"	514.141429	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Cl+NaCOOH"	102.956829
"912912"	524.170186	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M-H+CF3COOH"	112.985586
"1290350"	560.146864	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Cl+CF3COOH"	148.962264
"1372158"	376.171924	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H-2H2O"	-35.012676
"1383457"	394.1819	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H-H2O"	-17.0027
"293720"	823.376476	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+H"	1.007276
"685044"	1234.561076	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+H"	1.007276
"1355929"	412.191876	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H"	1.007276
"136106"	412.191876	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+2H"	2.014552
"571656"	617.784176	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+2H"	2.014552
"1041551"	206.599576	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2H"	2.014552
"209450"	275.130342666667	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+3H"	3.021828
"648282"	412.191876	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+3H"	3.021828
"1164224"	138.068809333333	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+3H"	3.021828
"427130"	840.403023	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+NH4"	18.033823
"786070"	1251.587623	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+NH4"	18.033823
"1684466"	429.218423	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+NH4"	18.033823
"332744"	420.7051495	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+H+NH4"	19.041099
"724437"	626.2974495	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+H+NH4"	19.041099
"1478986"	215.1128495	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H+NH4"	19.041099
"395475"	845.358418	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+Na"	22.989218
"755739"	1256.543018	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+Na"	22.989218
"1604574"	434.173818	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Na"	22.989218
"314344"	423.182847	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+H+Na"	23.996494
"707293"	628.775147	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+H+Na"	23.996494
"1464133"	217.590547	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H+Na"	23.996494
"1058478"	145.396123333333	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2H+Na"	25.00377
"1266718"	444.218086	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+CH3OH+H"	33.033486
"380917"	861.332358	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+K"	38.963158
"744099"	1272.516958	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+K"	38.963158
"1543965"	450.147758	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+K"	38.963158
"301140"	431.169817	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+H+K"	39.970434
"692101"	636.762117	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+H+K"	39.970434
"1445676"	225.577517	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H+K"	39.970434
"236346"	864.403026	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+ACN+H"	42.033826
"1211242"	453.218426	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+ACN+H"	42.033826
"1197313"	227.112851	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+ACN+2H"	43.041102
"197482"	867.34036	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+2Na-H"	44.97116
"632303"	1278.52496	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+2Na-H"	44.97116
"1135080"	456.15576	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2Na-H"	44.97116
"184568"	434.173818	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+2Na"	45.978436
"614778"	639.766118	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+2Na"	45.978436
"1121444"	228.581518	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2Na"	45.978436
"1404969"	152.723437333333	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H+2Na"	46.985712
"1440364"	458.197346	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H+HCOOH"	47.012746
"220823"	439.20684	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+3H2O+2H"	56.04448
"1512652"	472.24939	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+IsoProp+H"	61.06479
"413433"	442.160788	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+Na+K"	61.952376
"775521"	647.753088	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+Na+K"	61.952376
"1666388"	236.568488	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Na+K"	61.952376
"257278"	886.384968	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+ACN+Na"	64.015768
"1229990"	475.200368	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+ACN+Na"	64.015768
"1717784"	475.223893	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+NH4+HCOOH"	64.039293
"1184232"	160.050751333333	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+3Na"	68.967654
"1654488"	480.179288	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Na+HCOOH"	68.994688
"162444"	899.28824	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+2K-H"	76.91904
"603825"	1310.47284	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+2K-H"	76.91904
"1089432"	488.10364	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2K-H"	76.91904
"149529"	450.147758	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"2M+2K"	77.926316
"593463"	655.740058	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"3M+2K"	77.926316
"1072507"	244.555458	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2K"	77.926316
"1103529"	490.118192	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2K+H"	78.933592
"1345383"	490.205807	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+DMSO+H"	79.021207
"1013912"	494.244976	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2ACN+H"	83.060376
"1525111"	495.238608	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+IsoProp+Na+H"	84.054008
"991197"	247.626126	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+2ACN+2H"	84.067652
"1595182"	496.153228	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+K+HCOOH"	84.968628
"1429234"	526.184738	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+H+CF3COOH"	115.000138
"1154420"	268.139401	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+3ACN+2H"	125.094202
"1699597"	543.211285	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+NH4+CF3COOH"	132.026685
"1636342"	548.16668	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+Na+CF3COOH"	136.98208
"1571422"	564.14062	"C07014"	"Fluvastatin"	"C24H26FNO4"	"411.1846"	"M+K+CF3COOH"	152.95602
"814388"	563.3012	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M"	0
"976985"	544.28281	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-H2O-H"	-19.01839
"64133"	374.526857333333	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M-3H"	-3.021828
"505148"	562.293924	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M-3H"	-3.021828
"882583"	186.759790666667	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-3H"	-3.021828
"4439"	562.293924	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M-2H"	-2.014552
"449478"	843.944524	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M-2H"	-2.014552
"827282"	280.643324	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-2H"	-2.014552
"87276"	1125.595124	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M-H"	-1.007276
"529388"	1688.896324	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M-H"	-1.007276
"902449"	562.293924	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-H"	-1.007276
"58284"	1142.621671	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M-2H+NH4"	16.019271
"498569"	1705.922871	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M-2H+NH4"	16.019271
"873091"	579.320471	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-2H+NH4"	16.019271
"39898"	1147.577066	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M-2H+Na"	20.974666
"478365"	1710.878266	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M-2H+Na"	20.974666
"851792"	584.275866	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-2H+Na"	20.974666
"1630077"	584.275866	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Na-2H"	20.974666
"106612"	580.282263	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M-H+Cl"	33.962126
"546173"	861.932863	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M-H+Cl"	33.962126
"940047"	298.631663	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-H+Cl"	33.962126
"274958"	1161.571802	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+Cl"	34.969402
"667378"	1724.873002	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+Cl"	34.969402
"1279782"	598.270602	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Cl"	34.969402
"23430"	1163.551006	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M-2H+K"	36.948606
"465177"	1726.852206	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M-2H+K"	36.948606
"844074"	600.249806	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-2H+K"	36.948606
"1565373"	600.249806	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+K-2H"	36.948606
"953256"	608.299394	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-H+HCOOH"	44.998194
"370377"	1171.600601	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+HCOOH-H"	44.998201
"352074"	1185.616251	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+Hac-H"	59.013851
"1497627"	622.315051	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Hac-H"	59.013851
"965167"	630.281351	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-H+NaCOOH"	66.980151
"119548"	598.270602	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+2Cl"	69.938804
"556919"	879.921202	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+2Cl"	69.938804
"1030093"	316.620002	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2Cl"	69.938804
"1246390"	642.220085	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Br"	78.918885
"1313212"	644.276072	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Cl+HCOOH"	80.974872
"1320260"	666.258029	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Cl+NaCOOH"	102.956829
"913386"	676.286786	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M-H+CF3COOH"	112.985586
"1290097"	712.263464	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Cl+CF3COOH"	148.962264
"1372268"	528.288524	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H-2H2O"	-35.012676
"1383931"	546.2985	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H-H2O"	-17.0027
"291639"	1127.609676	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+H"	1.007276
"681873"	1690.910876	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+H"	1.007276
"1353847"	564.308476	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H"	1.007276
"128924"	564.308476	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+2H"	2.014552
"571766"	845.959076	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+2H"	2.014552
"1039833"	282.657876	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2H"	2.014552
"209561"	376.541409333333	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+3H"	3.021828
"647057"	564.308476	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+3H"	3.021828
"1167250"	188.774342666667	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+3H"	3.021828
"427605"	1144.636223	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+NH4"	18.033823
"788243"	1707.937423	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+NH4"	18.033823
"1685669"	581.335023	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+NH4"	18.033823
"331392"	572.8217495	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+H+NH4"	19.041099
"725640"	854.4723495	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+H+NH4"	19.041099
"1481282"	291.1711495	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H+NH4"	19.041099
"398136"	1149.591618	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+Na"	22.989218
"754632"	1712.892818	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+Na"	22.989218
"1605047"	586.290418	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Na"	22.989218
"315810"	575.299447	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+H+Na"	23.996494
"707416"	856.950047	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+H+Na"	23.996494
"1463755"	293.648847	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H+Na"	23.996494
"1058588"	196.101656666667	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2H+Na"	25.00377
"1265734"	596.334686	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+CH3OH+H"	33.033486
"381027"	1165.565558	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+K"	38.963158
"744209"	1728.866758	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+K"	38.963158
"1540224"	602.264358	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+K"	38.963158
"299013"	583.286417	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+H+K"	39.970434
"691450"	864.937017	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+H+K"	39.970434
"1452959"	301.635817	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H+K"	39.970434
"235848"	1168.636226	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+ACN+H"	42.033826
"1210623"	605.335026	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+ACN+H"	42.033826
"1195601"	303.171151	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+ACN+2H"	43.041102
"194312"	1171.57356	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+2Na-H"	44.97116
"634965"	1734.87476	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+2Na-H"	44.97116
"1134096"	608.27236	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2Na-H"	44.97116
"182855"	586.290418	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+2Na"	45.978436
"616953"	867.941018	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+2Na"	45.978436
"1121554"	304.639818	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2Na"	45.978436
"1401798"	203.428970666667	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H+2Na"	46.985712
"1433914"	610.313946	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H+HCOOH"	47.012746
"221785"	591.32344	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+3H2O+2H"	56.04448
"1510575"	624.36599	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+IsoProp+H"	61.06479
"410263"	594.277388	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+Na+K"	61.952376
"775632"	875.927988	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+Na+K"	61.952376
"1666498"	312.626788	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Na+K"	61.952376
"256296"	1190.618168	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+ACN+Na"	64.015768
"1230100"	627.316968	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+ACN+Na"	64.015768
"1717894"	627.340493	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+NH4+HCOOH"	64.039293
"1183612"	210.756284666667	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+3Na"	68.967654
"1653869"	632.295888	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Na+HCOOH"	68.994688
"160366"	1203.52144	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+2K-H"	76.91904
"601750"	1766.82264	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+2K-H"	76.91904
"1090635"	640.22024	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2K-H"	76.91904
"146357"	602.264358	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"2M+2K"	77.926316
"591385"	883.914958	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"3M+2K"	77.926316
"1072617"	320.613758	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2K"	77.926316
"1102547"	642.234792	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2K+H"	78.933592
"1342211"	642.322407	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+DMSO+H"	79.021207
"1010742"	646.361576	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2ACN+H"	83.060376
"1525585"	647.355208	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+IsoProp+Na+H"	84.054008
"991305"	323.684426	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+2ACN+2H"	84.067652
"1594198"	648.269828	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+K+HCOOH"	84.968628
"1428617"	678.301338	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+H+CF3COOH"	115.000138
"1157811"	344.197701	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+3ACN+2H"	125.094202
"1702988"	695.327885	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+NH4+CF3COOH"	132.026685
"1643013"	700.28328	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+Na+CF3COOH"	136.98208
"1571494"	716.25722	"C07016"	"Fosinopril"	"C30H46NO7P"	"563.3012"	"M+K+CF3COOH"	152.95602
"807937"	330.0077	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M"	0
"978189"	310.98931	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-H2O-H"	-19.01839
"67522"	218.997857333333	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M-3H"	-3.021828
"505989"	329.000424	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M-3H"	-3.021828
"884881"	108.995290666667	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-3H"	-3.021828
"3091"	329.000424	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M-2H"	-2.014552
"449588"	494.004274	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M-2H"	-2.014552
"829214"	163.996574	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-2H"	-2.014552
"89574"	659.008124	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M-H"	-1.007276
"530956"	989.015824	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M-H"	-1.007276
"907664"	329.000424	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-H"	-1.007276
"59486"	676.034671	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M-2H+NH4"	16.019271
"498679"	1006.042371	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M-2H+NH4"	16.019271
"877941"	346.026971	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-2H+NH4"	16.019271
"44382"	680.990066	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M-2H+Na"	20.974666
"481755"	1010.997766	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M-2H+Na"	20.974666
"855182"	350.982366	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-2H+Na"	20.974666
"1632374"	350.982366	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Na-2H"	20.974666
"108663"	346.988763	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M-H+Cl"	33.962126
"548346"	511.992613	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M-H+Cl"	33.962126
"937605"	181.984913	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-H+Cl"	33.962126
"278347"	694.984802	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+Cl"	34.969402
"668581"	1024.992502	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+Cl"	34.969402
"1283172"	364.977102	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Cl"	34.969402
"25727"	696.964006	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M-2H+K"	36.948606
"467474"	1026.971706	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M-2H+K"	36.948606
"844913"	366.956306	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-2H+K"	36.948606
"1565487"	366.956306	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+K-2H"	36.948606
"953369"	375.005894	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-H+HCOOH"	44.998194
"374134"	705.013601	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+HCOOH-H"	44.998201
"354371"	719.029251	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+Hac-H"	59.013851
"1500289"	389.021551	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Hac-H"	59.013851
"969652"	396.987851	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-H+NaCOOH"	66.980151
"116375"	364.977102	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+2Cl"	69.938804
"557027"	529.980952	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+2Cl"	69.938804
"1029109"	199.973252	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2Cl"	69.938804
"1247593"	408.926585	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Br"	78.918885
"1311136"	410.982572	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Cl+HCOOH"	80.974872
"1324623"	432.964529	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Cl+NaCOOH"	102.956829
"913496"	442.993286	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M-H+CF3COOH"	112.985586
"1293487"	478.969964	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Cl+CF3COOH"	148.962264
"1373471"	294.995024	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H-2H2O"	-35.012676
"1386957"	313.005	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H-H2O"	-17.0027
"291749"	661.022676	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+H"	1.007276
"683077"	991.030376	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+H"	1.007276
"1357238"	331.014976	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H"	1.007276
"129034"	331.014976	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+2H"	2.014552
"568596"	496.018826	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+2H"	2.014552
"1040307"	166.011126	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2H"	2.014552
"206020"	221.012409333333	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+3H"	3.021828
"647410"	331.014976	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+3H"	3.021828
"1166994"	111.009842666667	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+3H"	3.021828
"428077"	678.049223	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+NH4"	18.033823
"790544"	1008.056923	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+NH4"	18.033823
"1687966"	348.041523	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+NH4"	18.033823
"334058"	339.5282495	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+H+NH4"	19.041099
"725387"	504.5320995	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+H+NH4"	19.041099
"1482486"	174.5243995	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H+NH4"	19.041099
"397154"	683.004618	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+Na"	22.989218
"756695"	1013.012318	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+Na"	22.989218
"1609167"	352.996918	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Na"	22.989218
"317017"	342.005947	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+H+Na"	23.996494
"708341"	507.009797	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+H+Na"	23.996494
"1464353"	177.002097	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H+Na"	23.996494
"1066354"	118.337156666667	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2H+Na"	25.00377
"1269853"	363.041186	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+CH3OH+H"	33.033486
"387697"	698.978558	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+K"	38.963158
"744319"	1028.986258	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+K"	38.963158
"1541998"	368.970858	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+K"	38.963158
"302454"	349.992917	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+H+K"	39.970434
"694875"	514.996767	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+H+K"	39.970434
"1449788"	184.989067	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H+K"	39.970434
"238389"	702.049226	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+ACN+H"	42.033826
"1212192"	372.041526	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+ACN+H"	42.033826
"1196438"	186.524401	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+ACN+2H"	43.041102
"195515"	704.98656	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+2Na-H"	44.97116
"631792"	1034.99426	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+2Na-H"	44.97116
"1133838"	374.97886	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2Na-H"	44.97116
"177498"	352.996918	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+2Na"	45.978436
"623991"	518.000768	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+2Na"	45.978436
"1123851"	187.993068	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2Na"	45.978436
"1410656"	125.664470666667	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H+2Na"	46.985712
"1441316"	377.020446	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H+HCOOH"	47.012746
"231374"	358.02994	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+3H2O+2H"	56.04448
"1516154"	391.07249	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+IsoProp+H"	61.06479
"416933"	360.983888	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+Na+K"	61.952376
"777928"	525.987738	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+Na+K"	61.952376
"1669890"	195.980038	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Na+K"	61.952376
"260783"	724.031168	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+ACN+Na"	64.015768
"1232398"	394.023468	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+ACN+Na"	64.015768
"1722375"	394.046993	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+NH4+HCOOH"	64.039293
"1185543"	132.991784666667	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+3Na"	68.967654
"1656532"	399.002388	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Na+HCOOH"	68.994688
"161206"	736.93444	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+2K-H"	76.91904
"605139"	1066.94214	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+2K-H"	76.91904
"1091839"	406.92674	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2K-H"	76.91904
"148653"	368.970858	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"2M+2K"	77.926316
"590401"	533.974708	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"3M+2K"	77.926316
"1076007"	203.967008	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2K"	77.926316
"1111404"	408.941292	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2K+H"	78.933592
"1339039"	409.028907	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+DMSO+H"	79.021207
"1010850"	413.068076	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2ACN+H"	83.060376
"1527883"	414.061708	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+IsoProp+Na+H"	84.054008
"991780"	207.037676	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+2ACN+2H"	84.067652
"1589199"	414.976328	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+K+HCOOH"	84.968628
"1417784"	445.007838	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+H+CF3COOH"	115.000138
"1150257"	227.550951	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+3ACN+2H"	125.094202
"1711846"	462.034385	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+NH4+CF3COOH"	132.026685
"1643123"	466.98978	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+Na+CF3COOH"	136.98208
"1574399"	482.96372	"C07017"	"Furosemide"	"C12H11ClN2O5S"	"330.0077"	"M+K+CF3COOH"	152.95602
"808047"	250.1569	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M"	0
"977204"	231.13851	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"64353"	165.763990666667	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"503184"	249.149624	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"880859"	82.3783573333333	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"529"	249.149624	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"449698"	374.228074	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"830418"	124.071174	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"83125"	499.306524	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"523779"	749.463424	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"902672"	249.149624	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"57044"	516.333071	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"496605"	766.489971	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"876594"	266.176171	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"36839"	521.288466	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"478587"	771.445366	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"856388"	271.131566	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1632485"	271.131566	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"107199"	267.137963	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"547849"	392.216413	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"939903"	142.059513	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"275179"	535.283202	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"670879"	785.440102	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1281097"	285.126302	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"26932"	537.262406	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"468678"	787.419306	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"847209"	287.105506	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1564504"	287.105506	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"952386"	295.155094	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"374972"	545.312001	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"356671"	559.327651	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1503314"	309.170751	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"967579"	317.137051	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"121954"	285.126302	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"562608"	410.204752	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1033593"	160.047852	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1252077"	329.075785	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1308332"	331.131772	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1324368"	353.113729	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"912878"	363.142486	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1299799"	399.119164	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1375771"	215.144224	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1394360"	233.1542	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"292955"	501.321076	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"683188"	751.477976	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1359536"	251.164176	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"132427"	251.164176	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"567250"	376.242626	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1045162"	126.085726	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"213062"	167.778542666667	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"651531"	251.164176	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1172943"	84.3929093333333	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"431839"	518.347623	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"791747"	768.504523	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1688076"	268.190723	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"333077"	259.6774495	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"725498"	384.7558995	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1482598"	134.5989995	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"399090"	523.303018	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"758993"	773.459918	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1609279"	273.146118	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"320408"	262.155147	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"710276"	387.233597	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1466650"	137.076697	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1065369"	91.7202233333333	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1271299"	283.190386	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"386714"	539.276958	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"742241"	789.433858	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1548670"	289.120058	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"299647"	270.142117	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"696079"	395.220567	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1450991"	145.063667	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"242874"	542.347626	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1218862"	292.190726	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1197276"	146.599001	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"193439"	545.28496	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"637375"	795.44186	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1135411"	295.12806	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"179796"	273.146118	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"621549"	398.224568	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1126520"	148.067668	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1406397"	99.0475373333333	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1442521"	297.169646	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"230392"	278.17914	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1519546"	311.22169	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"415953"	281.133088	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"775854"	406.211538	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1672187"	156.054638	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"258708"	564.329568	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1231417"	314.172668	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1718116"	314.196193	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1185656"	106.374851333333	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1654458"	319.151588	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"166788"	577.23284	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"605251"	827.38974	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1088670"	327.07594	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"148763"	289.120058	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"588324"	414.198508	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1076117"	164.041608	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1110421"	329.090492	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1340248"	329.178107	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1008778"	333.217276	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1526534"	334.210908	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"991282"	167.112276	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1592232"	335.125528	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1415343"	365.157038	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1155841"	187.625551	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1698829"	382.183585	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1647606"	387.13898	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1571957"	403.11292	"C07020"	"Gemfibrozil"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"808157"	493.1438	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M"	0
"976220"	474.12541	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-H2O-H"	-19.01839
"65921"	327.755257333333	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M-3H"	-3.021828
"504751"	492.136524	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M-3H"	-3.021828
"880725"	163.373990666667	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-3H"	-3.021828
"759"	492.136524	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M-2H"	-2.014552
"445434"	738.708424	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M-2H"	-2.014552
"830891"	245.564624	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-2H"	-2.014552
"83235"	985.280324	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M-H"	-1.007276
"528263"	1478.424124	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M-H"	-1.007276
"902783"	492.136524	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-H"	-1.007276
"54968"	1002.306871	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M-2H+NH4"	16.019271
"493436"	1495.450671	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M-2H+NH4"	16.019271
"873425"	509.163071	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-2H+NH4"	16.019271
"38042"	1007.262266	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M-2H+Na"	20.974666
"478697"	1500.406066	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M-2H+Na"	20.974666
"852124"	514.118466	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-2H+Na"	20.974666
"1632594"	514.118466	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Na-2H"	20.974666
"105849"	510.124863	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M-H+Cl"	33.962126
"547592"	756.696763	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M-H+Cl"	33.962126
"940013"	263.552963	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-H+Cl"	33.962126
"278569"	1021.257002	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+Cl"	34.969402
"667709"	1514.400802	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+Cl"	34.969402
"1277927"	528.113202	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Cl"	34.969402
"27043"	1023.236206	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M-2H+K"	36.948606
"465509"	1516.380006	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M-2H+K"	36.948606
"843311"	530.092406	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-2H+K"	36.948606
"1565705"	530.092406	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+K-2H"	36.948606
"948124"	538.141994	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-H+HCOOH"	44.998194
"368889"	1031.285801	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+HCOOH-H"	44.998201
"351312"	1045.301451	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+Hac-H"	59.013851
"1496865"	552.157651	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Hac-H"	59.013851
"964773"	560.123951	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-H+NaCOOH"	66.980151
"118784"	528.113202	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+2Cl"	69.938804
"557251"	774.685102	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+2Cl"	69.938804
"1032610"	281.541302	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2Cl"	69.938804
"1247814"	572.062685	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Br"	78.918885
"1311722"	574.118672	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Cl+HCOOH"	80.974872
"1320834"	596.100629	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Cl+NaCOOH"	102.956829
"912988"	606.129386	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M-H+CF3COOH"	112.985586
"1295533"	642.106064	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Cl+CF3COOH"	148.962264
"1374788"	458.131124	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H-2H2O"	-35.012676
"1392284"	476.1411	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H-H2O"	-17.0027
"293066"	987.294876	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+H"	1.007276
"683298"	1480.438676	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+H"	1.007276
"1359646"	494.151076	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H"	1.007276
"129621"	494.151076	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+2H"	2.014552
"571004"	740.722976	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+2H"	2.014552
"1043086"	247.579176	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2H"	2.014552
"213172"	329.769809333333	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+3H"	3.021828
"647632"	494.151076	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+3H"	3.021828
"1170864"	165.388542666667	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+3H"	3.021828
"429763"	1004.321423	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+NH4"	18.033823
"791856"	1497.465223	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+NH4"	18.033823
"1686001"	511.177623	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+NH4"	18.033823
"330635"	502.6643495	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+H+NH4"	19.041099
"726701"	749.2362495	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+H+NH4"	19.041099
"1479794"	256.0924495	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H+NH4"	19.041099
"398108"	1009.276818	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+Na"	22.989218
"755336"	1502.420618	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+Na"	22.989218
"1608296"	516.133018	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Na"	22.989218
"321612"	505.142047	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+H+Na"	23.996494
"709659"	751.713947	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+H+Na"	23.996494
"1470040"	258.570147	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H+Na"	23.996494
"1064386"	172.715856666667	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2H+Na"	25.00377
"1270437"	526.177286	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+CH3OH+H"	33.033486
"383544"	1025.250758	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+K"	38.963158
"743444"	1518.394558	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+K"	38.963158
"1547686"	532.106958	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+K"	38.963158
"299756"	513.129017	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+H+K"	39.970434
"693270"	759.700917	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+H+K"	39.970434
"1447454"	266.557117	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H+K"	39.970434
"238972"	1028.321426	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+ACN+H"	42.033826
"1214597"	535.177626	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+ACN+H"	42.033826
"1197385"	268.092451	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+ACN+2H"	43.041102
"193549"	1031.25876	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+2Na-H"	44.97116
"638578"	1524.40256	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+2Na-H"	44.97116
"1132847"	538.11496	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2Na-H"	44.97116
"176626"	516.133018	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+2Na"	45.978436
"619470"	762.704918	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+2Na"	45.978436
"1126259"	269.561118	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2Na"	45.978436
"1410153"	180.043170666667	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H+2Na"	46.985712
"1443725"	540.156546	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H+HCOOH"	47.012746
"229409"	521.16604	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+3H2O+2H"	56.04448
"1518562"	554.20859	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+IsoProp+H"	61.06479
"417156"	524.119988	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+Na+K"	61.952376
"777057"	770.691888	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+Na+K"	61.952376
"1672297"	277.548088	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Na+K"	61.952376
"256631"	1050.303368	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+ACN+Na"	64.015768
"1230434"	557.159568	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+ACN+Na"	64.015768
"1716039"	557.183093	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+NH4+HCOOH"	64.039293
"1182486"	187.370484666667	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+3Na"	68.967654
"1655661"	562.138488	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Na+HCOOH"	68.994688
"169084"	1063.20664	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+2K-H"	76.91904
"604268"	1556.35044	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+2K-H"	76.91904
"1088780"	570.06284	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2K-H"	76.91904
"148872"	532.106958	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"2M+2K"	77.926316
"588433"	778.678858	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"3M+2K"	77.926316
"1075134"	285.535058	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2K"	77.926316
"1113811"	572.077392	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2K+H"	78.933592
"1340358"	572.165007	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+DMSO+H"	79.021207
"1009615"	576.204176	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2ACN+H"	83.060376
"1527010"	577.197808	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+IsoProp+Na+H"	84.054008
"991999"	288.605726	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+2ACN+2H"	84.067652
"1593435"	578.112428	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+K+HCOOH"	84.968628
"1416910"	608.143938	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+H+CF3COOH"	115.000138
"1151577"	309.119001	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+3ACN+2H"	125.094202
"1697846"	625.170485	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+NH4+CF3COOH"	132.026685
"1648809"	630.12588	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+Na+CF3COOH"	136.98208
"1571621"	646.09982	"C07022"	"Glyburide;Glibenclamide"	"C23H28ClN3O5S"	"493.1438"	"M+K+CF3COOH"	152.95602
"808267"	312.195	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M"	0
"977424"	293.17661	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-H2O-H"	-19.01839
"64938"	207.122724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M-3H"	-3.021828
"503321"	311.187724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M-3H"	-3.021828
"880594"	103.057724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-3H"	-3.021828
"385"	311.187724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M-2H"	-2.014552
"444814"	467.285224	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M-2H"	-2.014552
"831001"	155.090224	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-2H"	-2.014552
"86624"	623.382724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M-H"	-1.007276
"527279"	935.577724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M-H"	-1.007276
"903986"	311.187724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-H"	-1.007276
"57264"	640.409271	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M-2H+NH4"	16.019271
"493543"	952.604271	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M-2H+NH4"	16.019271
"874625"	328.214271	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-2H+NH4"	16.019271
"38152"	645.364666	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M-2H+Na"	20.974666
"474066"	957.559666	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M-2H+Na"	20.974666
"852234"	333.169666	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-2H+Na"	20.974666
"1632704"	333.169666	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Na-2H"	20.974666
"104866"	329.176063	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M-H+Cl"	33.962126
"545516"	485.273563	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M-H+Cl"	33.962126
"940123"	173.078563	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-H+Cl"	33.962126
"276491"	659.359402	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+Cl"	34.969402
"668912"	971.554402	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+Cl"	34.969402
"1280224"	347.164402	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Cl"	34.969402
"27153"	661.338606	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M-2H+K"	36.948606
"466712"	973.533606	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M-2H+K"	36.948606
"843422"	349.143606	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-2H+K"	36.948606
"1566907"	349.143606	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+K-2H"	36.948606
"949327"	357.193194	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-H+HCOOH"	44.998194
"366448"	669.388201	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+HCOOH-H"	44.998201
"354701"	683.403851	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+Hac-H"	59.013851
"1496247"	371.208851	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Hac-H"	59.013851
"965612"	379.175151	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-H+NaCOOH"	66.980151
"118894"	347.164402	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+2Cl"	69.938804
"560642"	503.261902	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+2Cl"	69.938804
"1029439"	191.066902	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2Cl"	69.938804
"1246832"	391.113885	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Br"	78.918885
"1308917"	393.169872	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Cl+HCOOH"	80.974872
"1320945"	415.151829	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Cl+NaCOOH"	102.956829
"913463"	425.180586	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M-H+CF3COOH"	112.985586
"1296736"	461.157264	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Cl+CF3COOH"	148.962264
"1372709"	277.182324	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H-2H2O"	-35.012676
"1392394"	295.1923	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H-H2O"	-17.0027
"289893"	625.397276	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+H"	1.007276
"686688"	937.592276	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+H"	1.007276
"1358663"	313.202276	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H"	1.007276
"131554"	313.202276	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+2H"	2.014552
"568197"	469.299776	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+2H"	2.014552
"1042463"	157.104776	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2H"	2.014552
"211095"	209.137276	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+3H"	3.021828
"648469"	313.202276	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+3H"	3.021828
"1170974"	105.072276	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+3H"	3.021828
"426589"	642.423823	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+NH4"	18.033823
"791967"	954.618823	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+NH4"	18.033823
"1686109"	330.228823	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+NH4"	18.033823
"330379"	321.7155495	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+H+NH4"	19.041099
"725718"	477.8130495	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+H+NH4"	19.041099
"1482820"	165.6180495	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H+NH4"	19.041099
"400405"	647.379218	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+Na"	22.989218
"757027"	959.574218	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+Na"	22.989218
"1608406"	335.184218	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Na"	22.989218
"322815"	324.193247	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+H+Na"	23.996494
"709770"	480.290747	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+H+Na"	23.996494
"1467964"	168.095747	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H+Na"	23.996494
"1064495"	112.39959	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2H+Na"	25.00377
"1267266"	345.228486	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+CH3OH+H"	33.033486
"384747"	663.353158	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+K"	38.963158
"742826"	975.548158	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+K"	38.963158
"1542328"	351.158158	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+K"	38.963158
"298893"	332.180217	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+H+K"	39.970434
"692286"	488.277717	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+H+K"	39.970434
"1446471"	176.082717	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H+K"	39.970434
"238718"	666.423826	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+ACN+H"	42.033826
"1214706"	354.228826	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+ACN+H"	42.033826
"1195673"	177.618051	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+ACN+2H"	43.041102
"194752"	669.36116	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+2Na-H"	44.97116
"635407"	981.55616	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+2Na-H"	44.97116
"1133442"	357.16616	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2Na-H"	44.97116
"175642"	335.184218	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+2Na"	45.978436
"618487"	491.281718	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+2Na"	45.978436
"1121995"	179.086718	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2Na"	45.978436
"1410992"	119.726904	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H+2Na"	46.985712
"1443106"	359.207746	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H+HCOOH"	47.012746
"229519"	340.21724	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+3H2O+2H"	56.04448
"1523045"	373.25979	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+IsoProp+H"	61.06479
"420546"	343.171188	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+Na+K"	61.952376
"777167"	499.268688	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+Na+K"	61.952376
"1672405"	187.073688	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Na+K"	61.952376
"260022"	688.405768	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+ACN+Na"	64.015768
"1230544"	376.210768	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+ACN+Na"	64.015768
"1718335"	376.234293	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+NH4+HCOOH"	64.039293
"1182595"	127.054218	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+3Na"	68.967654
"1659051"	381.189688	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Na+HCOOH"	68.994688
"170288"	701.30904	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+2K-H"	76.91904
"604378"	1013.50404	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+2K-H"	76.91904
"1088890"	389.11404	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2K-H"	76.91904
"146796"	351.158158	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"2M+2K"	77.926316
"588544"	507.255658	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"3M+2K"	77.926316
"1074152"	195.060658	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2K"	77.926316
"1110641"	391.128592	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2K+H"	78.933592
"1341562"	391.216207	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+DMSO+H"	79.021207
"1011184"	395.255376	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2ACN+H"	83.060376
"1526757"	396.249008	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+IsoProp+Na+H"	84.054008
"992112"	198.131326	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+2ACN+2H"	84.067652
"1589530"	397.163628	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+K+HCOOH"	84.968628
"1417020"	427.195138	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+H+CF3COOH"	115.000138
"1152780"	218.644601	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+3ACN+2H"	125.094202
"1698319"	444.221685	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+NH4+CF3COOH"	132.026685
"1648919"	449.17708	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+Na+CF3COOH"	136.98208
"1571691"	465.15102	"C07023"	"Granisetron"	"C18H24N4O"	"312.195"	"M+K+CF3COOH"	152.95602
"808377"	504.9801	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M"	0
"975348"	485.96171	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-H2O-H"	-19.01839
"63955"	335.646124	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M-3H"	-3.021828
"502922"	503.972824	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M-3H"	-3.021828
"880948"	167.319424	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-3H"	-3.021828
"249"	503.972824	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M-2H"	-2.014552
"444195"	756.462874	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M-2H"	-2.014552
"830019"	251.482774	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-2H"	-2.014552
"87830"	1008.952924	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M-H"	-1.007276
"527390"	1513.933024	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M-H"	-1.007276
"903003"	503.972824	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-H"	-1.007276
"55187"	1025.979471	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M-2H+NH4"	16.019271
"492560"	1530.959571	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M-2H+NH4"	16.019271
"873642"	520.999371	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-2H+NH4"	16.019271
"41544"	1030.934866	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M-2H+Na"	20.974666
"473812"	1535.914966	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M-2H+Na"	20.974666
"849143"	525.954766	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-2H+Na"	20.974666
"1629535"	525.954766	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Na-2H"	20.974666
"103520"	521.961163	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M-H+Cl"	33.962126
"541256"	774.451213	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M-H+Cl"	33.962126
"938048"	269.471113	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-H+Cl"	33.962126
"270405"	1044.929602	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+Cl"	34.969402
"667928"	1549.909702	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+Cl"	34.969402
"1283611"	539.949502	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Cl"	34.969402
"26170"	1046.908806	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M-2H+K"	36.948606
"464635"	1551.888906	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M-2H+K"	36.948606
"840619"	541.928706	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-2H+K"	36.948606
"1562647"	541.928706	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+K-2H"	36.948606
"952717"	549.978294	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-H+HCOOH"	44.998194
"366559"	1054.958401	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+HCOOH-H"	44.998201
"352628"	1068.974051	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+Hac-H"	59.013851
"1497450"	563.993951	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Hac-H"	59.013851
"966817"	571.960251	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-H+NaCOOH"	66.980151
"119004"	539.949502	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+2Cl"	69.938804
"560752"	792.439552	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+2Cl"	69.938804
"1028456"	287.459452	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2Cl"	69.938804
"1248036"	583.898985	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Br"	78.918885
"1307934"	585.954972	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Cl+HCOOH"	80.974872
"1320200"	607.936929	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Cl+NaCOOH"	102.956829
"914666"	617.965686	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M-H+CF3COOH"	112.985586
"1293566"	653.942364	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Cl+CF3COOH"	148.962264
"1375006"	469.967424	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H-2H2O"	-35.012676
"1393597"	487.9774	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H-H2O"	-17.0027
"291097"	1010.967476	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+H"	1.007276
"680238"	1515.947576	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+H"	1.007276
"1356587"	505.987376	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H"	1.007276
"130571"	505.987376	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+2H"	2.014552
"568307"	758.477426	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+2H"	2.014552
"1041480"	253.497326	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2H"	2.014552
"207925"	337.660676	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+3H"	3.021828
"650765"	505.987376	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+3H"	3.021828
"1172178"	169.333976	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+3H"	3.021828
"427792"	1027.994023	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+NH4"	18.033823
"795357"	1532.974123	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+NH4"	18.033823
"1687315"	523.013923	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+NH4"	18.033823
"332314"	514.5006495	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+H+NH4"	19.041099
"729109"	766.9906995	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+H+NH4"	19.041099
"1484023"	262.0105995	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H+NH4"	19.041099
"402701"	1032.949418	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+Na"	22.989218
"757138"	1537.929518	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+Na"	22.989218
"1610702"	527.969318	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Na"	22.989218
"321832"	516.978347	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+H+Na"	23.996494
"713160"	769.468397	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+H+Na"	23.996494
"1468074"	264.488297	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H+Na"	23.996494
"1061326"	176.66129	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2H+Na"	25.00377
"1267378"	538.013586	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+CH3OH+H"	33.033486
"382670"	1048.923358	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+K"	38.963158
"745853"	1553.903458	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+K"	38.963158
"1542802"	543.943258	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+K"	38.963158
"300340"	524.965317	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+H+K"	39.970434
"692761"	777.455367	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+H+K"	39.970434
"1449132"	272.475267	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H+K"	39.970434
"239191"	1051.994026	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+ACN+H"	42.033826
"1215910"	547.013926	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+ACN+H"	42.033826
"1196147"	274.010601	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+ACN+2H"	43.041102
"194862"	1054.93136	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+2Na-H"	44.97116
"633330"	1559.91146	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+2Na-H"	44.97116
"1132094"	549.95126	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2Na-H"	44.97116
"176846"	527.969318	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+2Na"	45.978436
"616409"	780.459368	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+2Na"	45.978436
"1122833"	275.479268	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2Na"	45.978436
"1408911"	183.988604	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H+2Na"	46.985712
"1437745"	551.992846	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H+HCOOH"	47.012746
"227438"	533.00234	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+3H2O+2H"	56.04448
"1519875"	566.04489	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+IsoProp+H"	61.06479
"416283"	535.956288	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+Na+K"	61.952376
"777277"	788.446338	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+Na+K"	61.952376
"1669599"	283.466238	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Na+K"	61.952376
"259038"	1073.975968	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+ACN+Na"	64.015768
"1230654"	568.995868	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+ACN+Na"	64.015768
"1718445"	569.019393	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+NH4+HCOOH"	64.039293
"1182705"	191.315918	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+3Na"	68.967654
"1659161"	573.974788	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Na+HCOOH"	68.994688
"169304"	1086.87924	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+2K-H"	76.91904
"604488"	1591.85934	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+2K-H"	76.91904
"1089000"	581.89914	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2K-H"	76.91904
"145813"	543.943258	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"2M+2K"	77.926316
"588655"	796.433308	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"3M+2K"	77.926316
"1074261"	291.453208	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2K"	77.926316
"1109657"	583.913692	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2K+H"	78.933592
"1344949"	584.001307	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+DMSO+H"	79.021207
"1013477"	588.040476	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2ACN+H"	83.060376
"1526505"	589.034108	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+IsoProp+Na+H"	84.054008
"992589"	294.523876	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+2ACN+2H"	84.067652
"1589639"	589.948728	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+K+HCOOH"	84.968628
"1416037"	619.980238	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+H+CF3COOH"	115.000138
"1152890"	315.037151	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+3ACN+2H"	125.094202
"1698065"	637.006785	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+NH4+CF3COOH"	132.026685
"1643561"	641.96218	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+Na+CF3COOH"	136.98208
"1571680"	657.93612	"C07024"	"3-Keto-3-deoxy-ATP"	"C10H14N5O13P3"	"504.9801"	"M+K+CF3COOH"	152.95602
"808488"	345.0474	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M"	0
"975824"	326.02901	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-H2O-H"	-19.01839
"64429"	229.024324	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M-3H"	-3.021828
"503065"	344.040124	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M-3H"	-3.021828
"880610"	114.008524	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-3H"	-3.021828
"13497"	344.040124	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M-2H"	-2.014552
"451968"	516.563824	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M-2H"	-2.014552
"826854"	171.516424	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-2H"	-2.014552
"83566"	689.087524	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M-H"	-1.007276
"527499"	1034.134924	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M-H"	-1.007276
"904207"	344.040124	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-H"	-1.007276
"53111"	706.114071	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+NH4"	16.019271
"492670"	1051.161471	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+NH4"	16.019271
"872660"	361.066671	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-2H+NH4"	16.019271
"40562"	711.069466	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+Na"	20.974666
"472465"	1056.116866	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+Na"	20.974666
"853549"	366.022066	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-2H+Na"	20.974666
"1626371"	366.022066	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Na-2H"	20.974666
"103629"	362.028463	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M-H+Cl"	33.962126
"541366"	534.552163	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M-H+Cl"	33.962126
"933057"	189.504763	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-H+Cl"	33.962126
"276711"	725.064202	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+Cl"	34.969402
"668038"	1070.111602	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+Cl"	34.969402
"1283721"	380.016802	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Cl"	34.969402
"25184"	727.043406	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M-2H+K"	36.948606
"462558"	1072.090806	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M-2H+K"	36.948606
"840729"	381.996006	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-2H+K"	36.948606
"1564216"	381.996006	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+K-2H"	36.948606
"953920"	390.045594	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-H+HCOOH"	44.998194
"369947"	735.093001	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+HCOOH-H"	44.998201
"353830"	749.108651	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+Hac-H"	59.013851
"1498288"	404.061251	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Hac-H"	59.013851
"965835"	412.027551	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-H+NaCOOH"	66.980151
"118021"	380.016802	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+2Cl"	69.938804
"560862"	552.540502	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+2Cl"	69.938804
"1027473"	207.493102	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2Cl"	69.938804
"1249239"	423.966285	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Br"	78.918885
"1308044"	426.022272	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+HCOOH"	80.974872
"1327000"	448.004229	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+NaCOOH"	102.956829
"919154"	458.032986	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M-H+CF3COOH"	112.985586
"1293676"	494.009664	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Cl+CF3COOH"	148.962264
"1369526"	310.034724	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H-2H2O"	-35.012676
"1388240"	328.0447	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H-H2O"	-17.0027
"287926"	691.102076	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+H"	1.007276
"677915"	1036.149476	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+H"	1.007276
"1352802"	346.054676	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H"	1.007276
"128122"	346.054676	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+2H"	2.014552
"567324"	518.578376	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+2H"	2.014552
"1039400"	173.530976	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2H"	2.014552
"205120"	231.038876	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+3H"	3.021828
"645166"	346.054676	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+3H"	3.021828
"1171191"	116.023076	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+3H"	3.021828
"432284"	708.128623	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+NH4"	18.033823
"793280"	1053.176023	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+NH4"	18.033823
"1690704"	363.081223	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+NH4"	18.033823
"338979"	354.5679495	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+H+NH4"	19.041099
"728125"	527.0916495	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+H+NH4"	19.041099
"1483038"	182.0442495	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H+NH4"	19.041099
"399531"	713.084018	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+Na"	22.989218
"761620"	1058.131418	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+Na"	22.989218
"1609717"	368.036618	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Na"	22.989218
"318660"	357.045647	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+H+Na"	23.996494
"708531"	529.569347	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+H+Na"	23.996494
"1465274"	184.521947	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H+Na"	23.996494
"1057424"	123.35039	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2H+Na"	25.00377
"1262019"	378.080886	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+CH3OH+H"	33.033486
"380958"	729.057958	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+K"	38.963158
"745963"	1074.105358	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+K"	38.963158
"1542909"	384.010558	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+K"	38.963158
"299355"	365.032617	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+H+K"	39.970434
"693236"	537.556317	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+H+K"	39.970434
"1449971"	192.508917	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H+K"	39.970434
"240396"	732.128626	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+ACN+H"	42.033826
"1212737"	387.081226	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+H"	42.033826
"1196258"	194.044251	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+2H"	43.041102
"190589"	735.06596	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+2Na-H"	44.97116
"629782"	1080.11336	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+2Na-H"	44.97116
"1132921"	390.01856	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2Na-H"	44.97116
"179144"	368.036618	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+2Na"	45.978436
"619800"	540.560318	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+2Na"	45.978436
"1123306"	195.512918	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2Na"	45.978436
"1402819"	130.677704	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H+2Na"	46.985712
"1436760"	392.060146	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H+HCOOH"	47.012746
"223178"	373.06964	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+3H2O+2H"	56.04448
"1515613"	406.11219	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+IsoProp+H"	61.06479
"416394"	376.023588	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+Na+K"	61.952376
"776298"	548.547288	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+Na+K"	61.952376
"1679190"	203.499888	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Na+K"	61.952376
"260242"	754.110568	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+ACN+Na"	64.015768
"1231857"	409.063168	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+ACN+Na"	64.015768
"1718556"	409.086693	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+NH4+HCOOH"	64.039293
"1188285"	138.005018	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+3Na"	68.967654
"1659272"	414.042088	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Na+HCOOH"	68.994688
"170507"	767.01384	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+2K-H"	76.91904
"605692"	1112.06124	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+2K-H"	76.91904
"1091297"	421.96644	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2K-H"	76.91904
"144831"	384.010558	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"2M+2K"	77.926316
"588765"	556.534258	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"3M+2K"	77.926316
"1075464"	211.486858	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2K"	77.926316
"1105393"	423.980992	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2K+H"	78.933592
"1342872"	424.068607	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+DMSO+H"	79.021207
"1007879"	428.107776	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2ACN+H"	83.060376
"1525886"	429.101408	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+IsoProp+Na+H"	84.054008
"992699"	214.557526	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+2ACN+2H"	84.067652
"1592679"	430.016028	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+K+HCOOH"	84.968628
"1414689"	460.047538	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+H+CF3COOH"	115.000138
"1154094"	235.070801	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+3ACN+2H"	125.094202
"1705834"	477.074085	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+NH4+CF3COOH"	132.026685
"1643671"	482.02948	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+Na+CF3COOH"	136.98208
"1574949"	498.00342	"C07025"	"3-Keto-3-deoxy-AMP"	"C10H12N5O7P"	"345.0474"	"M+K+CF3COOH"	152.95602
"811878"	346.0791	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M"	0
"978850"	327.06071	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-H2O-H"	-19.01839
"65268"	229.712124	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M-3H"	-3.021828
"505556"	345.071824	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M-3H"	-3.021828
"884451"	114.352424	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-3H"	-3.021828
"14701"	345.071824	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M-2H"	-2.014552
"452442"	518.111374	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M-2H"	-2.014552
"824776"	172.032274	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-2H"	-2.014552
"86956"	691.150924	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M-H"	-1.007276
"526515"	1037.230024	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M-H"	-1.007276
"904315"	345.071824	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-H"	-1.007276
"54314"	708.177471	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M-2H+NH4"	16.019271
"492780"	1054.256571	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M-2H+NH4"	16.019271
"872771"	362.098371	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-2H+NH4"	16.019271
"41765"	713.132866	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M-2H+Na"	20.974666
"474762"	1059.211966	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M-2H+Na"	20.974666
"853659"	367.053766	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-2H+Na"	20.974666
"1626481"	367.053766	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Na-2H"	20.974666
"101187"	363.060163	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M-H+Cl"	33.962126
"540746"	536.099713	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M-H+Cl"	33.962126
"936081"	190.020613	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-H+Cl"	33.962126
"279010"	727.127602	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+Cl"	34.969402
"670335"	1073.206702	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+Cl"	34.969402
"1287111"	381.048502	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Cl"	34.969402
"28210"	729.106806	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M-2H+K"	36.948606
"465946"	1075.185906	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M-2H+K"	36.948606
"841932"	383.027706	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-2H+K"	36.948606
"1563961"	383.027706	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+K-2H"	36.948606
"952937"	391.077294	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-H+HCOOH"	44.998194
"371154"	737.156401	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+HCOOH-H"	44.998201
"356129"	751.172051	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+Hac-H"	59.013851
"1504960"	405.092951	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Hac-H"	59.013851
"968133"	413.059251	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-H+NaCOOH"	66.980151
"118132"	381.048502	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+2Cl"	69.938804
"558788"	554.088052	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+2Cl"	69.938804
"1030864"	208.008952	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2Cl"	69.938804
"1252629"	424.997985	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Br"	78.918885
"1312893"	427.053972	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Cl+HCOOH"	80.974872
"1326018"	449.035929	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Cl+NaCOOH"	102.956829
"917078"	459.064686	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M-H+CF3COOH"	112.985586
"1292693"	495.041364	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Cl+CF3COOH"	148.962264
"1371946"	311.066424	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H-2H2O"	-35.012676
"1386163"	329.0764	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H-H2O"	-17.0027
"290224"	693.165476	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+H"	1.007276
"678998"	1039.244576	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+H"	1.007276
"1353520"	347.086376	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H"	1.007276
"127501"	347.086376	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+2H"	2.014552
"566092"	520.125926	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+2H"	2.014552
"1038048"	174.046826	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2H"	2.014552
"205350"	231.726676	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+3H"	3.021828
"647707"	347.086376	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+3H"	3.021828
"1170208"	116.366976	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+3H"	3.021828
"439853"	710.192023	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+NH4"	18.033823
"799586"	1056.271123	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+NH4"	18.033823
"1696949"	364.112923	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+NH4"	18.033823
"343103"	355.5996495	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+H+NH4"	19.041099
"736254"	528.6391995	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+H+NH4"	19.041099
"1486429"	182.5600995	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H+NH4"	19.041099
"404017"	715.147418	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+Na"	22.989218
"761732"	1061.226518	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+Na"	22.989218
"1612015"	369.068318	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Na"	22.989218
"323142"	358.077347	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+H+Na"	23.996494
"714473"	531.116897	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+H+Na"	23.996494
"1466115"	185.037797	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H+Na"	23.996494
"1059357"	123.69429	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2H+Na"	25.00377
"1268690"	379.112586	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+CH3OH+H"	33.033486
"387264"	731.121358	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+K"	38.963158
"748261"	1077.200458	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+K"	38.963158
"1550311"	385.042258	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+K"	38.963158
"308582"	366.064317	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+H+K"	39.970434
"704286"	539.103867	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+H+K"	39.970434
"1454821"	193.024767	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H+K"	39.970434
"245609"	734.192026	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+ACN+H"	42.033826
"1212855"	388.112926	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+ACN+H"	42.033826
"1196740"	194.560101	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+ACN+2H"	43.041102
"190700"	737.12936	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+2Na-H"	44.97116
"629896"	1083.20846	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+2Na-H"	44.97116
"1131939"	391.05026	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2Na-H"	44.97116
"179620"	369.068318	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+2Na"	45.978436
"619181"	542.107868	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+2Na"	45.978436
"1124511"	196.028768	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2Na"	45.978436
"1408033"	131.021604	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H+2Na"	46.985712
"1438327"	393.091846	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H+HCOOH"	47.012746
"226569"	374.10134	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+3H2O+2H"	56.04448
"1516818"	407.14389	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+IsoProp+H"	61.06479
"418691"	377.055288	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+Na+K"	61.952376
"780781"	550.094838	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+Na+K"	61.952376
"1679299"	204.015738	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Na+K"	61.952376
"265819"	756.173968	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+ACN+Na"	64.015768
"1236341"	410.094868	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+ACN+Na"	64.015768
"1718666"	410.118393	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+NH4+HCOOH"	64.039293
"1188395"	138.348918	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+3Na"	68.967654
"1657195"	415.073788	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Na+HCOOH"	68.994688
"166243"	769.07724	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+2K-H"	76.91904
"605802"	1115.15634	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+2K-H"	76.91904
"1090314"	422.99814	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2K-H"	76.91904
"144211"	385.042258	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"2M+2K"	77.926316
"585595"	558.081808	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"3M+2K"	77.926316
"1075576"	212.002708	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2K"	77.926316
"1109877"	425.012692	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2K+H"	78.933592
"1337514"	425.100307	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+DMSO+H"	79.021207
"1011517"	429.139476	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2ACN+H"	83.060376
"1529643"	430.133108	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+IsoProp+Na+H"	84.054008
"992810"	215.073376	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+2ACN+2H"	84.067652
"1596069"	431.047728	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+K+HCOOH"	84.968628
"1414392"	461.079238	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+H+CF3COOH"	115.000138
"1156391"	235.586651	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+3ACN+2H"	125.094202
"1705944"	478.105785	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+NH4+CF3COOH"	132.026685
"1643781"	483.06118	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+Na+CF3COOH"	136.98208
"1571779"	499.03512	"C07026"	"3-Amino-3-deoxy-AMP"	"C10H15N6O6P"	"346.0791"	"M+K+CF3COOH"	152.95602
"814177"	509.1424	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M"	0
"978960"	490.12401	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-H2O-H"	-19.01839
"66108"	338.420990666667	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M-3H"	-3.021828
"502841"	508.135124	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M-3H"	-3.021828
"895391"	168.706857333333	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-3H"	-3.021828
"14452"	508.135124	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M-2H"	-2.014552
"449272"	762.706324	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M-2H"	-2.014552
"829262"	253.563924	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-2H"	-2.014552
"89252"	1017.277524	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M-H"	-1.007276
"527718"	1526.419924	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M-H"	-1.007276
"905155"	508.135124	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-H"	-1.007276
"57706"	1034.304071	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M-2H+NH4"	16.019271
"495079"	1543.446471	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M-2H+NH4"	16.019271
"873973"	525.161671	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-2H+NH4"	16.019271
"33368"	1039.259466	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M-2H+Na"	20.974666
"473051"	1548.401866	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M-2H+Na"	20.974666
"862523"	530.117066	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-2H+Na"	20.974666
"1633149"	530.117066	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Na-2H"	20.974666
"105301"	526.123463	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M-H+Cl"	33.962126
"543766"	780.694663	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M-H+Cl"	33.962126
"935094"	271.552263	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-H+Cl"	33.962126
"279117"	1053.254202	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+Cl"	34.969402
"669351"	1562.396602	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+Cl"	34.969402
"1283941"	544.111802	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Cl"	34.969402
"24312"	1055.233406	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M-2H+K"	36.948606
"462779"	1564.375806	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M-2H+K"	36.948606
"842771"	546.091006	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-2H+K"	36.948606
"1566258"	546.091006	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+K-2H"	36.948606
"954140"	554.140594	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-H+HCOOH"	44.998194
"371263"	1063.283001	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+HCOOH-H"	44.998201
"359517"	1077.298651	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+Hac-H"	59.013851
"1501795"	568.156251	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Hac-H"	59.013851
"968241"	576.122551	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-H+NaCOOH"	66.980151
"120427"	544.111802	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+2Cl"	69.938804
"556344"	798.683002	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+2Cl"	69.938804
"1026601"	289.540602	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2Cl"	69.938804
"1247639"	588.061285	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Br"	78.918885
"1310818"	590.117272	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Cl+HCOOH"	80.974872
"1325401"	612.099229	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Cl+NaCOOH"	102.956829
"916094"	622.127986	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M-H+CF3COOH"	112.985586
"1296084"	658.104664	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Cl+CF3COOH"	148.962264
"1376432"	474.129724	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H-2H2O"	-35.012676
"1388460"	492.1397	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H-H2O"	-17.0027
"291427"	1019.292076	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+H"	1.007276
"680567"	1528.434476	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+H"	1.007276
"1353634"	510.149676	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H"	1.007276
"129803"	510.149676	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+2H"	2.014552
"566201"	764.720876	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+2H"	2.014552
"1037314"	255.578476	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2H"	2.014552
"204730"	340.435542666667	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+3H"	3.021828
"658758"	510.149676	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+3H"	3.021828
"1174698"	170.721409333333	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+3H"	3.021828
"437969"	1036.318623	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+NH4"	18.033823
"800424"	1545.461023	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+NH4"	18.033823
"1696764"	527.176223	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+NH4"	18.033823
"342483"	518.6629495	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+H+NH4"	19.041099
"734906"	773.2341495	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+H+NH4"	19.041099
"1486540"	264.0917495	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H+NH4"	19.041099
"403034"	1041.274018	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+Na"	22.989218
"768039"	1550.416418	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+Na"	22.989218
"1612124"	532.131618	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Na"	22.989218
"323253"	521.140647	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+H+Na"	23.996494
"713496"	775.711847	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+H+Na"	23.996494
"1465859"	266.569447	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H+Na"	23.996494
"1056917"	178.048723333333	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2H+Na"	25.00377
"1260054"	542.175886	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+CH3OH+H"	33.033486
"387374"	1057.247958	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+K"	38.963158
"748368"	1566.390358	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+K"	38.963158
"1550422"	548.105558	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+K"	38.963158
"310880"	529.127617	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+H+K"	39.970434
"695644"	783.698817	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+H+K"	39.970434
"1454933"	274.556417	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H+K"	39.970434
"236611"	1060.318626	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+ACN+H"	42.033826
"1210415"	551.176226	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+ACN+H"	42.033826
"1194661"	276.091751	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+ACN+2H"	43.041102
"190450"	1063.25596	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+2Na-H"	44.97116
"630008"	1572.39836	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+2Na-H"	44.97116
"1141540"	554.11356	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2Na-H"	44.97116
"178637"	532.131618	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+2Na"	45.978436
"622935"	786.702818	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+2Na"	45.978436
"1122432"	277.560418	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2Na"	45.978436
"1407051"	185.376037333333	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H+2Na"	46.985712
"1438072"	556.155146	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H+HCOOH"	47.012746
"225580"	537.16464	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+3H2O+2H"	56.04448
"1519843"	570.20719	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+IsoProp+H"	61.06479
"415522"	540.118588	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+Na+K"	61.952376
"779799"	794.689788	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+Na+K"	61.952376
"1679168"	285.547388	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Na+K"	61.952376
"265688"	1082.300568	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+ACN+Na"	64.015768
"1235358"	573.158168	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+ACN+Na"	64.015768
"1723152"	573.181693	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+NH4+HCOOH"	64.039293
"1190693"	192.703351333333	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+3Na"	68.967654
"1662773"	578.137088	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Na+HCOOH"	68.994688
"165259"	1095.20384	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+2K-H"	76.91904
"601538"	1604.34624	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+2K-H"	76.91904
"1088598"	586.06144	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2K-H"	76.91904
"146144"	548.105558	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"2M+2K"	77.926316
"583517"	802.676758	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"3M+2K"	77.926316
"1073497"	293.534358	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2K"	77.926316
"1108894"	588.075992	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2K+H"	78.933592
"1345284"	588.163607	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+DMSO+H"	79.021207
"1008348"	592.202776	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2ACN+H"	83.060376
"1526473"	593.196408	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+IsoProp+Na+H"	84.054008
"995114"	296.605026	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+2ACN+2H"	84.067652
"1596180"	594.111028	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+K+HCOOH"	84.968628
"1426214"	624.142538	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+H+CF3COOH"	115.000138
"1158693"	317.118301	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+3ACN+2H"	125.094202
"1710429"	641.169085	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+NH4+CF3COOH"	132.026685
"1643893"	646.12448	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+Na+CF3COOH"	136.98208
"1575169"	662.09842	"C07027"	"N6N6O-Tridemethylpuromycin-5-phosphate"	"C19H24N7O8P"	"509.1424"	"M+K+CF3COOH"	152.95602
"815015"	551.153	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M"	0
"976155"	532.13461	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-H2O-H"	-19.01839
"63303"	366.428057333333	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M-3H"	-3.021828
"503128"	550.145724	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M-3H"	-3.021828
"895213"	182.710390666667	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-3H"	-3.021828
"14195"	550.145724	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M-2H"	-2.014552
"449381"	825.722224	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M-2H"	-2.014552
"827184"	274.569224	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-2H"	-2.014552
"84988"	1101.298724	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M-H"	-1.007276
"527826"	1652.451724	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M-H"	-1.007276
"906720"	550.145724	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-H"	-1.007276
"52347"	1118.325271	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M-2H+NH4"	16.019271
"496282"	1669.478271	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M-2H+NH4"	16.019271
"867523"	567.172271	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-2H+NH4"	16.019271
"31514"	1123.280666	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M-2H+Na"	20.974666
"479360"	1674.433666	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M-2H+Na"	20.974666
"861542"	572.127666	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-2H+Na"	20.974666
"1632167"	572.127666	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Na-2H"	20.974666
"107600"	568.134063	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M-H+Cl"	33.962126
"546064"	843.710563	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M-H+Cl"	33.962126
"930830"	292.557563	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-H+Cl"	33.962126
"279227"	1137.275402	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+Cl"	34.969402
"669461"	1688.428402	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+Cl"	34.969402
"1285144"	586.122402	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Cl"	34.969402
"23329"	1139.254606	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M-2H+K"	36.948606
"461796"	1690.407606	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M-2H+K"	36.948606
"843975"	588.101606	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-2H+K"	36.948606
"1565275"	588.101606	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+K-2H"	36.948606
"953157"	596.151194	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-H+HCOOH"	44.998194
"370283"	1147.304201	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+HCOOH-H"	44.998201
"357442"	1161.319851	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+Hac-H"	59.013851
"1501905"	610.166851	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Hac-H"	59.013851
"969444"	618.133151	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-H+NaCOOH"	66.980151
"120537"	586.122402	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+2Cl"	69.938804
"557548"	861.698902	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+2Cl"	69.938804
"1025254"	310.545902	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2Cl"	69.938804
"1247749"	630.071885	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Br"	78.918885
"1310927"	632.127872	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Cl+HCOOH"	80.974872
"1325147"	654.109829	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Cl+NaCOOH"	102.956829
"913286"	664.138586	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M-H+CF3COOH"	112.985586
"1291087"	700.115264	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Cl+CF3COOH"	148.962264
"1373262"	516.140324	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H-2H2O"	-35.012676
"1389663"	534.1503	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H-H2O"	-17.0027
"290443"	1103.313276	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+H"	1.007276
"676303"	1654.466276	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+H"	1.007276
"1352650"	552.160276	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H"	1.007276
"126386"	552.160276	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+2H"	2.014552
"566919"	827.736776	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+2H"	2.014552
"1038269"	276.583776	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2H"	2.014552
"204595"	368.442609333333	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+3H"	3.021828
"654496"	552.160276	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+3H"	3.021828
"1173350"	184.724942666667	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+3H"	3.021828
"437719"	1120.339823	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+NH4"	18.033823
"798712"	1671.492823	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+NH4"	18.033823
"1696388"	569.186823	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+NH4"	18.033823
"342596"	560.6735495	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+H+NH4"	19.041099
"733922"	836.2500495	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+H+NH4"	19.041099
"1490663"	285.0970495	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H+NH4"	19.041099
"402050"	1125.295218	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+Na"	22.989218
"764139"	1676.448218	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+Na"	22.989218
"1611141"	574.142218	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Na"	22.989218
"324096"	563.151247	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+H+Na"	23.996494
"716888"	838.727747	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+H+Na"	23.996494
"1465969"	287.574747	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H+Na"	23.996494
"1055934"	192.052256666667	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2H+Na"	25.00377
"1260164"	584.186486	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+CH3OH+H"	33.033486
"386391"	1141.269158	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+K"	38.963158
"748480"	1692.422158	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+K"	38.963158
"1550531"	590.116158	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+K"	38.963158
"307710"	571.138217	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+H+K"	39.970434
"695754"	846.714717	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+H+K"	39.970434
"1453949"	295.561717	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H+K"	39.970434
"237085"	1144.339826	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+ACN+H"	42.033826
"1211983"	593.186826	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+ACN+H"	42.033826
"1196593"	297.097051	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+ACN+2H"	43.041102
"192018"	1147.27716	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+2Na-H"	44.97116
"631575"	1698.43016	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+2Na-H"	44.97116
"1136549"	596.12416	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2Na-H"	44.97116
"179112"	574.142218	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+2Na"	45.978436
"619765"	849.718718	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+2Na"	45.978436
"1124001"	298.565718	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2Na"	45.978436
"1407161"	199.379570666667	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H+2Na"	46.985712
"1439276"	598.165746	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H+HCOOH"	47.012746
"225325"	579.17524	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+3H2O+2H"	56.04448
"1519223"	612.21779	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+IsoProp+H"	61.06479
"414538"	582.129188	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+Na+K"	61.952376
"776629"	857.705688	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+Na+K"	61.952376
"1674053"	306.552688	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Na+K"	61.952376
"262760"	1166.321768	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+ACN+Na"	64.015768
"1237655"	615.168768	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+ACN+Na"	64.015768
"1721075"	615.192293	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+NH4+HCOOH"	64.039293
"1185336"	206.706884666667	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+3Na"	68.967654
"1657415"	620.147688	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Na+HCOOH"	68.994688
"168650"	1179.22504	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+2K-H"	76.91904
"603836"	1730.37804	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+2K-H"	76.91904
"1086521"	628.07204	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2K-H"	76.91904
"144070"	590.116158	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"2M+2K"	77.926316
"583262"	865.692658	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"3M+2K"	77.926316
"1071784"	314.539658	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2K"	77.926316
"1110098"	630.086592	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2K+H"	78.933592
"1338832"	630.174207	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+DMSO+H"	79.021207
"1009553"	634.213376	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2ACN+H"	83.060376
"1527678"	635.207008	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+IsoProp+Na+H"	84.054008
"995224"	317.610326	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+2ACN+2H"	84.067652
"1596290"	636.121628	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+K+HCOOH"	84.968628
"1427417"	666.153138	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+H+CF3COOH"	115.000138
"1157709"	338.123601	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+3ACN+2H"	125.094202
"1709445"	683.179685	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+NH4+CF3COOH"	132.026685
"1640722"	688.13508	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+Na+CF3COOH"	136.98208
"1571999"	704.10902	"C07028"	"N-Acetyl-N6N6O-tridemethylpuromycin-5-phosphate"	"C21H26N7O9P"	"551.153"	"M+K+CF3COOH"	152.95602
"815490"	565.1686	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M"	0
"975901"	546.15021	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-H2O-H"	-19.01839
"63122"	375.771790666667	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M-3H"	-3.021828
"503699"	564.161324	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M-3H"	-3.021828
"893539"	187.382257333333	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-3H"	-3.021828
"6651"	564.161324	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M-2H"	-2.014552
"445117"	846.745624	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M-2H"	-2.014552
"827294"	281.577024	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-2H"	-2.014552
"87284"	1129.329924	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M-H"	-1.007276
"529028"	1694.498524	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M-H"	-1.007276
"900269"	564.161324	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-H"	-1.007276
"51362"	1146.356471	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M-2H+NH4"	16.019271
"496028"	1711.525071	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M-2H+NH4"	16.019271
"864630"	581.187871	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-2H+NH4"	16.019271
"31500"	1151.311866	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M-2H+Na"	20.974666
"472908"	1716.480466	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M-2H+Na"	20.974666
"863111"	586.143266	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-2H+Na"	20.974666
"1632641"	586.143266	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Na-2H"	20.974666
"106617"	582.149663	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M-H+Cl"	33.962126
"540707"	864.733963	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M-H+Cl"	33.962126
"927659"	299.565363	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-H+Cl"	33.962126
"272777"	1165.306602	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+Cl"	34.969402
"664104"	1730.475202	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+Cl"	34.969402
"1283067"	600.138002	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Cl"	34.969402
"24534"	1167.285806	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M-2H+K"	36.948606
"463000"	1732.454406	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M-2H+K"	36.948606
"838614"	602.117206	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-2H+K"	36.948606
"1565382"	602.117206	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+K-2H"	36.948606
"952173"	610.166794	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-H+HCOOH"	44.998194
"371481"	1175.335401	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+HCOOH-H"	44.998201
"358645"	1189.351051	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+Hac-H"	59.013851
"1500921"	624.182451	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Hac-H"	59.013851
"967368"	632.148751	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-H+NaCOOH"	66.980151
"119554"	600.138002	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+2Cl"	69.938804
"558022"	882.722302	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+2Cl"	69.938804
"1027187"	317.553702	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2Cl"	69.938804
"1247495"	644.087485	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Br"	78.918885
"1309945"	646.143472	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Cl+HCOOH"	80.974872
"1327444"	668.125429	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Cl+NaCOOH"	102.956829
"915584"	678.154186	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M-H+CF3COOH"	112.985586
"1291197"	714.130864	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Cl+CF3COOH"	148.962264
"1373372"	530.155924	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H-2H2O"	-35.012676
"1390866"	548.1659	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H-H2O"	-17.0027
"291646"	1131.344476	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+H"	1.007276
"677507"	1696.513076	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+H"	1.007276
"1353489"	566.175876	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H"	1.007276
"126860"	566.175876	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+2H"	2.014552
"566542"	848.760176	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+2H"	2.014552
"1037531"	283.591576	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2H"	2.014552
"204826"	377.786342666667	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+3H"	3.021828
"654606"	566.175876	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+3H"	3.021828
"1171637"	189.396809333333	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+3H"	3.021828
"438193"	1148.371023	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+NH4"	18.033823
"796999"	1713.539623	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+NH4"	18.033823
"1696743"	583.202423	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+NH4"	18.033823
"344531"	574.6891495	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+H+NH4"	19.041099
"736222"	857.2734495	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+H+NH4"	19.041099
"1490042"	292.1048495	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H+NH4"	19.041099
"403984"	1153.326418	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+Na"	22.989218
"764249"	1718.495018	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+Na"	22.989218
"1613437"	588.157818	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Na"	22.989218
"323478"	577.166847	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+H+Na"	23.996494
"716998"	859.751147	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+H+Na"	23.996494
"1468632"	294.582547	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H+Na"	23.996494
"1054950"	196.724123333333	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2H+Na"	25.00377
"1260273"	598.202086	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+CH3OH+H"	33.033486
"386502"	1169.300358	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+K"	38.963158
"747498"	1734.468958	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+K"	38.963158
"1550642"	604.131758	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+K"	38.963158
"310372"	585.153817	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+H+K"	39.970434
"698049"	867.738117	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+H+K"	39.970434
"1454060"	302.569517	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H+K"	39.970434
"240472"	1172.371026	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+ACN+H"	42.033826
"1213184"	607.202426	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+ACN+H"	42.033826
"1197068"	304.104851	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+ACN+2H"	43.041102
"193220"	1175.30836	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+2Na-H"	44.97116
"629616"	1740.47696	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+2Na-H"	44.97116
"1137753"	610.13976	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2Na-H"	44.97116
"179222"	588.157818	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+2Na"	45.978436
"620605"	870.742118	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+2Na"	45.978436
"1122289"	305.573518	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2Na"	45.978436
"1407271"	204.051437333333	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H+2Na"	46.985712
"1441573"	612.181346	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H+HCOOH"	47.012746
"224707"	593.19084	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+3H2O+2H"	56.04448
"1520426"	626.23339	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+IsoProp+H"	61.06479
"419022"	596.144788	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+Na+K"	61.952376
"783299"	878.729088	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+Na+K"	61.952376
"1671976"	313.560488	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Na+K"	61.952376
"262870"	1194.352968	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+ACN+Na"	64.015768
"1237765"	629.184368	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+ACN+Na"	64.015768
"1726288"	629.207893	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+NH4+HCOOH"	64.039293
"1190913"	211.378751333333	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+3Na"	68.967654
"1660805"	634.163288	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Na+HCOOH"	68.994688
"165480"	1207.25624	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+2K-H"	76.91904
"606133"	1772.42484	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+2K-H"	76.91904
"1086633"	642.08764	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2K-H"	76.91904
"143451"	604.131758	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"2M+2K"	77.926316
"584832"	886.716058	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"3M+2K"	77.926316
"1074811"	321.547458	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2K"	77.926316
"1109114"	644.102192	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2K+H"	78.933592
"1340036"	644.189807	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+DMSO+H"	79.021207
"1010756"	648.228976	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2ACN+H"	83.060376
"1529975"	649.222608	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+IsoProp+Na+H"	84.054008
"996427"	324.618126	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+2ACN+2H"	84.067652
"1596400"	650.137228	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+K+HCOOH"	84.968628
"1425341"	680.168738	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+H+CF3COOH"	115.000138
"1160005"	345.131401	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+3ACN+2H"	125.094202
"1709555"	697.195285	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+NH4+CF3COOH"	132.026685
"1640832"	702.15068	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+Na+CF3COOH"	136.98208
"1572109"	718.12462	"C07029"	"N-Acetyl-N6O-didemethylpuromycin-5-phosphate"	"C22H28N7O9P"	"565.1686"	"M+K+CF3COOH"	152.95602
"815964"	579.1843	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M"	0
"976011"	560.16591	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-H2O-H"	-19.01839
"63401"	385.115590666667	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M-3H"	-3.021828
"505998"	578.177024	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M-3H"	-3.021828
"889277"	192.054157333333	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-3H"	-3.021828
"8946"	578.177024	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M-2H"	-2.014552
"446319"	867.769174	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M-2H"	-2.014552
"823024"	288.584874	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-2H"	-2.014552
"85206"	1157.361324	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M-H"	-1.007276
"521848"	1736.545624	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M-H"	-1.007276
"897461"	578.177024	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-H"	-1.007276
"48556"	1174.387871	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M-2H+NH4"	16.019271
"496502"	1753.572171	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M-2H+NH4"	16.019271
"867743"	595.203571	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-2H+NH4"	16.019271
"31996"	1179.343266	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M-2H+Na"	20.974666
"473018"	1758.527566	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M-2H+Na"	20.974666
"862856"	600.158966	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-2H+Na"	20.974666
"1632385"	600.158966	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Na-2H"	20.974666
"105634"	596.165363	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M-H+Cl"	33.962126
"539724"	885.757513	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M-H+Cl"	33.962126
"927080"	306.573213	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-H+Cl"	33.962126
"270700"	1193.338002	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+Cl"	34.969402
"663119"	1772.522302	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+Cl"	34.969402
"1279897"	614.153702	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Cl"	34.969402
"22456"	1195.317206	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M-2H+K"	36.948606
"463110"	1774.501506	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M-2H+K"	36.948606
"838724"	616.132906	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-2H+K"	36.948606
"1565492"	616.132906	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+K-2H"	36.948606
"951190"	624.182494	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-H+HCOOH"	44.998194
"370497"	1203.366801	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+HCOOH-H"	44.998201
"355474"	1217.382451	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+Hac-H"	59.013851
"1504309"	638.198151	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Hac-H"	59.013851
"964560"	646.164451	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-H+NaCOOH"	66.980151
"119664"	614.153702	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+2Cl"	69.938804
"556309"	903.745852	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+2Cl"	69.938804
"1026568"	324.561552	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2Cl"	69.938804
"1247605"	658.103185	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Br"	78.918885
"1308959"	660.159172	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Cl+HCOOH"	80.974872
"1327554"	682.141129	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Cl+NaCOOH"	102.956829
"916058"	692.169886	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M-H+CF3COOH"	112.985586
"1290578"	728.146564	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Cl+CF3COOH"	148.962264
"1369833"	544.171624	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H-2H2O"	-35.012676
"1388789"	562.1816	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H-H2O"	-17.0027
"287381"	1159.375876	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+H"	1.007276
"679437"	1738.560176	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+H"	1.007276
"1357245"	580.191576	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H"	1.007276
"127579"	580.191576	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+2H"	2.014552
"566165"	869.783726	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+2H"	2.014552
"1037133"	290.599426	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2H"	2.014552
"205789"	387.130142666667	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+3H"	3.021828
"649240"	580.191576	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+3H"	3.021828
"1168463"	194.068709333333	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+3H"	3.021828
"436112"	1176.402423	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+NH4"	18.033823
"798200"	1755.586723	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+NH4"	18.033823
"1696115"	597.218123	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+NH4"	18.033823
"344641"	588.7048495	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+H+NH4"	19.041099
"736333"	878.2969995	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+H+NH4"	19.041099
"1490516"	299.1126995	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H+NH4"	19.041099
"407737"	1181.357818	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+Na"	22.989218
"767638"	1760.542118	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+Na"	22.989218
"1612455"	602.173518	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Na"	22.989218
"324681"	591.182547	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+H+Na"	23.996494
"717108"	880.774697	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+H+Na"	23.996494
"1470927"	301.590397	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H+Na"	23.996494
"1055424"	201.396023333333	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2H+Na"	25.00377
"1260383"	612.217786	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+CH3OH+H"	33.033486
"387703"	1197.331758	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+K"	38.963158
"748702"	1776.516058	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+K"	38.963158
"1551844"	618.147458	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+K"	38.963158
"311207"	599.169517	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+H+K"	39.970434
"698160"	888.761667	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+H+K"	39.970434
"1456355"	309.577367	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H+K"	39.970434
"241676"	1200.402426	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+ACN+H"	42.033826
"1215480"	621.218126	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+ACN+H"	42.033826
"1198270"	311.112701	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+ACN+2H"	43.041102
"191144"	1203.33976	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+2Na-H"	44.97116
"630212"	1782.52406	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+2Na-H"	44.97116
"1141872"	624.15546	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2Na-H"	44.97116
"180790"	602.173518	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+2Na"	45.978436
"624725"	891.765668	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+2Na"	45.978436
"1126046"	312.581368	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2Na"	45.978436
"1409571"	208.723337333333	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H+2Na"	46.985712
"1438404"	626.197046	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H+HCOOH"	47.012746
"228099"	607.20654	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+3H2O+2H"	56.04448
"1518349"	640.24909	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+IsoProp+H"	61.06479
"416946"	610.160488	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+Na+K"	61.952376
"781221"	899.752638	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+Na+K"	61.952376
"1673180"	320.568338	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Na+K"	61.952376
"262980"	1222.384368	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+ACN+Na"	64.015768
"1234594"	643.200068	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+ACN+Na"	64.015768
"1726398"	643.223593	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+NH4+HCOOH"	64.039293
"1185555"	216.050651333333	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+3Na"	68.967654
"1660915"	648.178988	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Na+HCOOH"	68.994688
"169964"	1235.28764	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+2K-H"	76.91904
"607337"	1814.47194	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+2K-H"	76.91904
"1088568"	656.10334	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2K-H"	76.91904
"145383"	618.147458	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"2M+2K"	77.926316
"586035"	907.739608	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"3M+2K"	77.926316
"1077107"	328.555308	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2K"	77.926316
"1111412"	658.117892	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2K+H"	78.933592
"1340146"	658.205507	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+DMSO+H"	79.021207
"1008680"	662.244676	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2ACN+H"	83.060376
"1530084"	663.238308	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+IsoProp+Na+H"	84.054008
"996537"	331.625976	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+2ACN+2H"	84.067652
"1600521"	664.152928	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+K+HCOOH"	84.968628
"1425451"	694.184438	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+H+CF3COOH"	115.000138
"1157929"	352.139251	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+3ACN+2H"	125.094202
"1711488"	711.210985	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+NH4+CF3COOH"	132.026685
"1644223"	716.16638	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+Na+CF3COOH"	136.98208
"1575499"	732.14032	"C07030"	"N-Acetyl-O-demethylpuromycin-5-phosphate"	"C23H30N7O9P"	"579.1843"	"M+K+CF3COOH"	152.95602
"801623"	499.2179	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M"	0
"976117"	480.19951	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-H2O-H"	-19.01839
"63629"	331.804657333333	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M-3H"	-3.021828
"506104"	498.210624	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M-3H"	-3.021828
"880629"	165.398690666667	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-3H"	-3.021828
"1397"	498.210624	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M-2H"	-2.014552
"442050"	747.819574	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M-2H"	-2.014552
"818268"	248.601674	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-2H"	-2.014552
"78592"	997.428524	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M-H"	-1.007276
"519275"	1496.646424	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M-H"	-1.007276
"896348"	498.210624	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-H"	-1.007276
"48537"	1014.455071	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M-2H+NH4"	16.019271
"489310"	1513.672971	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M-2H+NH4"	16.019271
"866750"	515.237171	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-2H+NH4"	16.019271
"33069"	1019.410466	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M-2H+Na"	20.974666
"473119"	1518.628366	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M-2H+Na"	20.974666
"850918"	520.192566	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-2H+Na"	20.974666
"1621557"	520.192566	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Na-2H"	20.974666
"96989"	516.198963	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M-H+Cl"	33.962126
"537639"	765.807913	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M-H+Cl"	33.962126
"930063"	266.590013	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-H+Cl"	33.962126
"272991"	1033.405202	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+Cl"	34.969402
"665409"	1532.623102	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+Cl"	34.969402
"1276721"	534.187302	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Cl"	34.969402
"17453"	1035.384406	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M-2H+K"	36.948606
"459932"	1534.602306	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M-2H+K"	36.948606
"838097"	536.166506	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-2H+K"	36.948606
"1556844"	536.166506	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+K-2H"	36.948606
"945821"	544.216094	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-H+HCOOH"	44.998194
"362214"	1043.434001	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+HCOOH-H"	44.998201
"346826"	1057.449651	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+Hac-H"	59.013851
"1495297"	558.231751	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Hac-H"	59.013851
"966491"	566.198051	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-H+NaCOOH"	66.980151
"114668"	534.187302	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+2Cl"	69.938804
"555319"	783.796252	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+2Cl"	69.938804
"1023148"	284.578352	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2Cl"	69.938804
"1243700"	578.136785	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Br"	78.918885
"1309067"	580.192772	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Cl+HCOOH"	80.974872
"1321458"	602.174729	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Cl+NaCOOH"	102.956829
"917623"	612.203486	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M-H+CF3COOH"	112.985586
"1296519"	648.180164	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Cl+CF3COOH"	148.962264
"1372495"	464.205224	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H-2H2O"	-35.012676
"1384523"	482.2152	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H-H2O"	-17.0027
"284207"	999.443076	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+H"	1.007276
"677359"	1498.660976	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+H"	1.007276
"1352242"	500.225176	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H"	1.007276
"126957"	500.225176	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+2H"	2.014552
"567609"	749.834126	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+2H"	2.014552
"1037986"	250.616226	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2H"	2.014552
"205401"	333.819209333333	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+3H"	3.021828
"644960"	500.225176	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+3H"	3.021828
"1168570"	167.413242666667	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+3H"	3.021828
"429653"	1016.469623	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+NH4"	18.033823
"798312"	1515.687523	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+NH4"	18.033823
"1695736"	517.251723	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+NH4"	18.033823
"342920"	508.7384495	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+H+NH4"	19.041099
"735342"	758.3473995	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+H+NH4"	19.041099
"1492612"	259.1294995	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H+NH4"	19.041099
"407843"	1021.425018	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+Na"	22.989218
"767746"	1520.642918	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+Na"	22.989218
"1617914"	522.207118	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Na"	22.989218
"329835"	511.216147	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+H+Na"	23.996494
"719396"	760.825097	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+H+Na"	23.996494
"1473222"	261.607197	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H+Na"	23.996494
"1061000"	174.740556666667	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2H+Na"	25.00377
"1268147"	532.251386	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+CH3OH+H"	33.033486
"390000"	1037.398958	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+K"	38.963158
"752088"	1536.616858	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+K"	38.963158
"1554143"	538.181058	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+K"	38.963158
"313504"	519.203117	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+H+K"	39.970434
"703738"	768.812067	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+H+K"	39.970434
"1457560"	269.594167	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H+K"	39.970434
"246161"	1040.469626	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+ACN+H"	42.033826
"1219963"	541.251726	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+ACN+H"	42.033826
"1202753"	271.129501	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+ACN+2H"	43.041102
"198902"	1043.40696	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+2Na-H"	44.97116
"633356"	1542.62486	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+2Na-H"	44.97116
"1137602"	544.18906	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2Na-H"	44.97116
"176522"	522.207118	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+2Na"	45.978436
"617177"	771.816068	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+2Na"	45.978436
"1118493"	272.598168	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2Na"	45.978436
"1400926"	182.067870666667	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H+2Na"	46.985712
"1436325"	546.230646	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H+HCOOH"	47.012746
"228207"	527.24014	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+3H2O+2H"	56.04448
"1510803"	560.28269	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+IsoProp+H"	61.06479
"415959"	530.194088	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+Na+K"	61.952376
"775861"	779.803038	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+Na+K"	61.952376
"1668911"	280.585138	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Na+K"	61.952376
"253246"	1062.451568	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+ACN+Na"	64.015768
"1227048"	563.233668	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+ACN+Na"	64.015768
"1718121"	563.257193	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+NH4+HCOOH"	64.039293
"1184569"	189.395184666667	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+3Na"	68.967654
"1658835"	568.212588	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Na+HCOOH"	68.994688
"162413"	1075.35484	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+2K-H"	76.91904
"600883"	1574.57274	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+2K-H"	76.91904
"1089768"	576.13694	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2K-H"	76.91904
"146584"	538.181058	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"2M+2K"	77.926316
"588332"	787.790008	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"3M+2K"	77.926316
"1071023"	288.572108	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2K"	77.926316
"1106052"	578.151492	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2K+H"	78.933592
"1339162"	578.239107	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+DMSO+H"	79.021207
"1007087"	582.278276	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2ACN+H"	83.060376
"1530194"	583.271908	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+IsoProp+Na+H"	84.054008
"993367"	291.642776	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+2ACN+2H"	84.067652
"1599902"	584.186528	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+K+HCOOH"	84.968628
"1425561"	614.218038	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+H+CF3COOH"	115.000138
"1158039"	312.156051	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+3ACN+2H"	125.094202
"1709776"	631.244585	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+NH4+CF3COOH"	132.026685
"1644333"	636.19998	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+Na+CF3COOH"	136.98208
"1575609"	652.17392	"C07031"	"N-Acetyl-O-demethylpuromycin"	"C23H29N7O6"	"499.2179"	"M+K+CF3COOH"	152.95602
"801961"	513.2336	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M"	0
"976227"	494.21521	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-H2O-H"	-19.01839
"68842"	341.148457333333	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M-3H"	-3.021828
"504390"	512.226324	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M-3H"	-3.021828
"881832"	170.070590666667	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-3H"	-3.021828
"779"	512.226324	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M-2H"	-2.014552
"442161"	768.843124	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M-2H"	-2.014552
"817403"	255.609524	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-2H"	-2.014552
"79826"	1025.459924	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M-H"	-1.007276
"520236"	1538.693524	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M-H"	-1.007276
"897671"	512.226324	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-H"	-1.007276
"49009"	1042.486471	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M-2H+NH4"	16.019271
"489054"	1555.720071	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M-2H+NH4"	16.019271
"866612"	529.252871	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-2H+NH4"	16.019271
"34027"	1047.441866	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M-2H+Na"	20.974666
"473348"	1560.675466	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M-2H+Na"	20.974666
"850418"	534.208266	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-2H+Na"	20.974666
"1621667"	534.208266	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Na-2H"	20.974666
"95034"	530.214663	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M-H+Cl"	33.962126
"535317"	786.831463	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M-H+Cl"	33.962126
"930172"	273.597863	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-H+Cl"	33.962126
"270183"	1061.436602	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+Cl"	34.969402
"661512"	1574.670202	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+Cl"	34.969402
"1277925"	548.203002	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Cl"	34.969402
"18294"	1063.415806	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M-2H+K"	36.948606
"462229"	1576.649406	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M-2H+K"	36.948606
"833263"	550.182206	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-2H+K"	36.948606
"1556226"	550.182206	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+K-2H"	36.948606
"943254"	558.231794	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-H+HCOOH"	44.998194
"364512"	1071.465401	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+HCOOH-H"	44.998201
"346039"	1085.481051	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+Hac-H"	59.013851
"1495770"	572.247451	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Hac-H"	59.013851
"964414"	580.213751	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-H+NaCOOH"	66.980151
"115507"	548.203002	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+2Cl"	69.938804
"555430"	804.819802	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+2Cl"	69.938804
"1025689"	291.586202	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2Cl"	69.938804
"1251107"	592.152485	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Br"	78.918885
"1311366"	594.208472	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Cl+HCOOH"	80.974872
"1323392"	616.190429	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Cl+NaCOOH"	102.956829
"917734"	626.219186	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M-H+CF3COOH"	112.985586
"1295538"	662.195864	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Cl+CF3COOH"	148.962264
"1374064"	478.220924	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H-2H2O"	-35.012676
"1386457"	496.2309	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H-H2O"	-17.0027
"286142"	1027.474476	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+H"	1.007276
"677833"	1540.708076	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+H"	1.007276
"1351538"	514.240876	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H"	1.007276
"126946"	514.240876	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+2H"	2.014552
"566383"	770.857676	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+2H"	2.014552
"1037974"	257.624076	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2H"	2.014552
"206731"	343.163009333333	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+3H"	3.021828
"645435"	514.240876	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+3H"	3.021828
"1163939"	172.085142666667	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+3H"	3.021828
"427941"	1044.501023	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+NH4"	18.033823
"797327"	1557.734623	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+NH4"	18.033823
"1694752"	531.267423	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+NH4"	18.033823
"340843"	522.7541495	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+H+NH4"	19.041099
"733265"	779.3709495	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+H+NH4"	19.041099
"1492522"	266.1373495	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H+NH4"	19.041099
"407711"	1049.456418	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+Na"	22.989218
"769839"	1562.690018	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+Na"	22.989218
"1610488"	536.222818	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Na"	22.989218
"327087"	525.231847	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+H+Na"	23.996494
"712948"	781.848647	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+H+Na"	23.996494
"1471146"	268.615047	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H+Na"	23.996494
"1063300"	179.412456666667	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2H+Na"	25.00377
"1262790"	546.267086	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+CH3OH+H"	33.033486
"385738"	1065.430358	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+K"	38.963158
"745641"	1578.663958	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+K"	38.963158
"1548784"	552.196758	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+K"	38.963158
"311425"	533.218817	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+H+K"	39.970434
"699475"	789.835617	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+H+K"	39.970434
"1455483"	276.602017	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H+K"	39.970434
"241898"	1068.501026	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+ACN+H"	42.033826
"1216793"	555.267426	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+ACN+H"	42.033826
"1203955"	278.137351	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+ACN+2H"	43.041102
"201199"	1071.43836	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+2Na-H"	44.97116
"629458"	1584.67196	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+2Na-H"	44.97116
"1138806"	558.20476	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2Na-H"	44.97116
"174201"	536.222818	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+2Na"	45.978436
"616921"	792.839618	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+2Na"	45.978436
"1120790"	279.606018	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2Na"	45.978436
"1400670"	186.739770666667	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H+2Na"	46.985712
"1433519"	560.246346	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H+HCOOH"	47.012746
"225037"	541.25584	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+3H2O+2H"	56.04448
"1512369"	574.29839	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+IsoProp+H"	61.06479
"416068"	544.209788	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+Na+K"	61.952376
"778157"	800.826588	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+Na+K"	61.952376
"1670114"	287.592988	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Na+K"	61.952376
"256634"	1090.482968	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+ACN+Na"	64.015768
"1230437"	577.249368	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+ACN+Na"	64.015768
"1720418"	577.272893	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+NH4+HCOOH"	64.039293
"1185773"	194.067084666667	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+3Na"	68.967654
"1658944"	582.228288	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Na+HCOOH"	68.994688
"162523"	1103.38624	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+2K-H"	76.91904
"600993"	1616.61984	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+2K-H"	76.91904
"1090971"	590.15264	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2K-H"	76.91904
"148880"	552.196758	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"2M+2K"	77.926316
"590628"	808.813558	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"3M+2K"	77.926316
"1072955"	295.579958	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2K"	77.926316
"1108349"	592.167192	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2K+H"	78.933592
"1338178"	592.254807	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+DMSO+H"	79.021207
"1007074"	596.293976	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2ACN+H"	83.060376
"1528118"	597.287608	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+IsoProp+Na+H"	84.054008
"991286"	298.650626	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+2ACN+2H"	84.067652
"1597826"	598.202228	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+K+HCOOH"	84.968628
"1426764"	628.233738	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+H+CF3COOH"	115.000138
"1158149"	319.163901	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+3ACN+2H"	125.094202
"1709885"	645.260285	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+NH4+CF3COOH"	132.026685
"1644443"	650.21568	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+Na+CF3COOH"	136.98208
"1575719"	666.18962	"C07032"	"N-Acetylpuromycin"	"C24H31N7O6"	"513.2336"	"M+K+CF3COOH"	152.95602
"806084"	230.0126	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M"	0
"979617"	210.99421	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-H2O-H"	-19.01839
"77700"	152.334457333333	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M-3H"	-3.021828
"511792"	229.005324	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M-3H"	-3.021828
"886315"	75.6635906666667	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-3H"	-3.021828
"8176"	229.005324	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M-2H"	-2.014552
"448831"	344.011624	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M-2H"	-2.014552
"820073"	113.999024	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-2H"	-2.014552
"80788"	459.017924	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M-H"	-1.007276
"521441"	689.030524	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M-H"	-1.007276
"896690"	229.005324	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-H"	-1.007276
"47785"	476.044471	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M-2H+NH4"	16.019271
"488437"	706.057071	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M-2H+NH4"	16.019271
"866238"	246.031871	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-2H+NH4"	16.019271
"32433"	480.999866	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M-2H+Na"	20.974666
"473340"	711.012466	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M-2H+Na"	20.974666
"850409"	250.987266	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-2H+Na"	20.974666
"1619463"	250.987266	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Na-2H"	20.974666
"95501"	246.993663	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M-H+Cl"	33.962126
"535064"	361.999963	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M-H+Cl"	33.962126
"927604"	131.987363	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-H+Cl"	33.962126
"268350"	494.994602	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+Cl"	34.969402
"661135"	725.007202	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+Cl"	34.969402
"1274390"	264.982002	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Cl"	34.969402
"18407"	496.973806	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M-2H+K"	36.948606
"459059"	726.986406	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M-2H+K"	36.948606
"833700"	266.961206	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-2H+K"	36.948606
"1556012"	266.961206	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+K-2H"	36.948606
"944706"	275.010794	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-H+HCOOH"	44.998194
"363897"	505.023401	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+HCOOH-H"	44.998201
"347050"	519.039051	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+Hac-H"	59.013851
"1495155"	289.026451	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Hac-H"	59.013851
"964159"	296.992751	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-H+NaCOOH"	66.980151
"115982"	264.982002	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+2Cl"	69.938804
"557367"	379.988302	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+2Cl"	69.938804
"1025799"	149.975702	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2Cl"	69.938804
"1253042"	308.931485	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Br"	78.918885
"1311477"	310.987472	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Cl+HCOOH"	80.974872
"1328975"	332.969429	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Cl+NaCOOH"	102.956829
"916752"	342.998186	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M-H+CF3COOH"	112.985586
"1295648"	378.974864	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Cl+CF3COOH"	148.962264
"1374903"	194.999924	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H-2H2O"	-35.012676
"1386931"	213.0099	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H-H2O"	-17.0027
"286252"	461.032476	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+H"	1.007276
"677578"	691.045076	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+H"	1.007276
"1351490"	231.019876	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H"	1.007276
"126451"	231.019876	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+2H"	2.014552
"566493"	346.026176	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+2H"	2.014552
"1037720"	116.013576	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2H"	2.014552
"204367"	154.349009333333	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+3H"	3.021828
"645910"	231.019876	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+3H"	3.021828
"1164778"	77.6781426666667	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+3H"	3.021828
"428780"	478.059023	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+NH4"	18.033823
"793063"	708.071623	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+NH4"	18.033823
"1696321"	248.046423	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+NH4"	18.033823
"340953"	239.5331495	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+H+NH4"	19.041099
"734469"	354.5394495	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+H+NH4"	19.041099
"1492634"	124.5268495	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H+NH4"	19.041099
"407699"	483.014418	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+Na"	22.989218
"769714"	713.027018	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+Na"	22.989218
"1614970"	253.001818	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Na"	22.989218
"328290"	242.010847	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+H+Na"	23.996494
"720718"	357.017147	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+H+Na"	23.996494
"1474540"	127.004547	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H+Na"	23.996494
"1061222"	85.0054566666667	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2H+Na"	25.00377
"1259619"	263.046086	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+CH3OH+H"	33.033486
"385849"	498.988358	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+K"	38.963158
"749030"	729.000958	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+K"	38.963158
"1551081"	268.975758	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+K"	38.963158
"309351"	249.997817	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+H+K"	39.970434
"701771"	365.004117	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+H+K"	39.970434
"1457779"	134.991517	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H+K"	39.970434
"242006"	502.059026	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+ACN+H"	42.033826
"1217995"	272.046426	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+ACN+H"	42.033826
"1200784"	136.526851	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+ACN+2H"	43.041102
"193656"	504.99636	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+2Na-H"	44.97116
"632121"	735.00896	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+2Na-H"	44.97116
"1135634"	274.98376	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2Na-H"	44.97116
"177470"	253.001818	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+2Na"	45.978436
"617031"	368.008118	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+2Na"	45.978436
"1119811"	137.995518	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2Na"	45.978436
"1408804"	92.3327706666667	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H+2Na"	46.985712
"1438736"	277.025346	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H+HCOOH"	47.012746
"225147"	258.03484	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+3H2O+2H"	56.04448
"1511023"	291.07739	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+IsoProp+H"	61.06479
"418365"	260.988788	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+Na+K"	61.952376
"772435"	375.995088	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+Na+K"	61.952376
"1669130"	145.982488	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Na+K"	61.952376
"256744"	524.040968	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+ACN+Na"	64.015768
"1228360"	294.028368	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+ACN+Na"	64.015768
"1719435"	294.051893	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+NH4+HCOOH"	64.039293
"1186976"	99.6600846666667	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+3Na"	68.967654
"1655774"	299.007288	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Na+HCOOH"	68.994688
"164821"	536.94424	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+2K-H"	76.91904
"602196"	766.95684	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+2K-H"	76.91904
"1088895"	306.93164	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2K-H"	76.91904
"147898"	268.975758	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"2M+2K"	77.926316
"590738"	383.982058	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"3M+2K"	77.926316
"1075252"	153.969458	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2K"	77.926316
"1109553"	308.946192	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2K+H"	78.933592
"1339383"	309.033807	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+DMSO+H"	79.021207
"1007063"	313.072976	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2ACN+H"	83.060376
"1527135"	314.066608	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+IsoProp+Na+H"	84.054008
"991151"	157.040126	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+2ACN+2H"	84.067652
"1597935"	314.981228	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+K+HCOOH"	84.968628
"1426874"	345.012738	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+H+CF3COOH"	115.000138
"1157165"	177.553401	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+3ACN+2H"	125.094202
"1710725"	362.039285	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+NH4+CF3COOH"	132.026685
"1641271"	366.99468	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+Na+CF3COOH"	136.98208
"1579109"	382.96862	"C07034"	"Guanabenz"	"C8H8Cl2N4"	"230.0126"	"M+K+CF3COOH"	152.95602
"802914"	213.1477	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M"	0
"980821"	194.12931	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-H2O-H"	-19.01839
"70156"	141.091190666667	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M-3H"	-3.021828
"506069"	212.140424	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M-3H"	-3.021828
"880954"	70.0419573333333	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-3H"	-3.021828
"2815"	212.140424	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M-2H"	-2.014552
"447843"	318.714274	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M-2H"	-2.014552
"819814"	105.566574	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-2H"	-2.014552
"79199"	425.288124	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M-H"	-1.007276
"519361"	638.435824	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M-H"	-1.007276
"896028"	212.140424	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-H"	-1.007276
"47445"	442.314671	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M-2H+NH4"	16.019271
"487492"	655.462371	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M-2H+NH4"	16.019271
"864687"	229.166971	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-2H+NH4"	16.019271
"32101"	447.270066	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M-2H+Na"	20.974666
"472068"	660.417766	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M-2H+Na"	20.974666
"849180"	234.122366	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-2H+Na"	20.974666
"1618570"	234.122366	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Na-2H"	20.974666
"94765"	230.128763	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M-H+Cl"	33.962126
"535417"	336.702613	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M-H+Cl"	33.962126
"927346"	123.554913	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-H+Cl"	33.962126
"267366"	461.264802	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+Cl"	34.969402
"660392"	674.412502	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+Cl"	34.969402
"1273164"	248.117102	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Cl"	34.969402
"16572"	463.244006	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M-2H+K"	36.948606
"458075"	676.391706	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M-2H+K"	36.948606
"833810"	250.096306	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-2H+K"	36.948606
"1555764"	250.096306	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+K-2H"	36.948606
"945059"	258.145894	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-H+HCOOH"	44.998194
"364736"	471.293601	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+HCOOH-H"	44.998201
"346061"	485.309251	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+Hac-H"	59.013851
"1494166"	272.161551	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Hac-H"	59.013851
"960253"	280.127851	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-H+NaCOOH"	66.980151
"113172"	248.117102	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+2Cl"	69.938804
"552366"	354.690952	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+2Cl"	69.938804
"1024450"	141.543252	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2Cl"	69.938804
"1242572"	292.066585	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Br"	78.918885
"1306847"	294.122572	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Cl+HCOOH"	80.974872
"1327990"	316.104529	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Cl+NaCOOH"	102.956829
"917226"	326.133286	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M-H+CF3COOH"	112.985586
"1291744"	362.109964	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Cl+CF3COOH"	148.962264
"1371003"	178.135024	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H-2H2O"	-35.012676
"1384485"	196.145	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H-H2O"	-17.0027
"285634"	427.302676	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+H"	1.007276
"676959"	640.450376	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+H"	1.007276
"1351843"	214.154976	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H"	1.007276
"126559"	214.154976	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+2H"	2.014552
"566846"	320.728826	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+2H"	2.014552
"1037376"	107.581126	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2H"	2.014552
"205123"	143.105742666667	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+3H"	3.021828
"644556"	214.154976	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+3H"	3.021828
"1164524"	72.0565093333333	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+3H"	3.021828
"424588"	444.329223	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+NH4"	18.033823
"794266"	657.476923	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+NH4"	18.033823
"1689504"	231.181523	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+NH4"	18.033823
"341063"	222.6682495	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+H+NH4"	19.041099
"733485"	329.2420995	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+H+NH4"	19.041099
"1492293"	116.0943995	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H+NH4"	19.041099
"407933"	449.284618	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+Na"	22.989218
"769829"	662.432318	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+Na"	22.989218
"1617633"	236.136918	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Na"	22.989218
"328155"	225.145947	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+H+Na"	23.996494
"721558"	331.719797	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+H+Na"	23.996494
"1473556"	118.572097	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H+Na"	23.996494
"1058053"	79.3838233333333	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2H+Na"	25.00377
"1261917"	246.181186	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+CH3OH+H"	33.033486
"385959"	465.258558	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+K"	38.963158
"746950"	678.406258	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+K"	38.963158
"1550098"	252.110858	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+K"	38.963158
"310554"	233.132917	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+H+K"	39.970434
"699693"	339.706767	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+H+K"	39.970434
"1453512"	126.559067	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H+K"	39.970434
"239928"	468.329226	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+ACN+H"	42.033826
"1215919"	255.181526	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+ACN+H"	42.033826
"1196154"	128.094401	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+ACN+2H"	43.041102
"191580"	471.26656	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+2Na-H"	44.97116
"631866"	684.41426	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+2Na-H"	44.97116
"1134651"	258.11886	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2Na-H"	44.97116
"177578"	236.136918	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+2Na"	45.978436
"617505"	342.710768	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+2Na"	45.978436
"1123202"	129.563068	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2Na"	45.978436
"1406727"	86.7111373333333	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H+2Na"	46.985712
"1442856"	260.160446	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H+HCOOH"	47.012746
"228538"	241.16994	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+3H2O+2H"	56.04448
"1511861"	274.21249	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+IsoProp+H"	61.06479
"416288"	244.123888	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+Na+K"	61.952376
"775097"	350.697738	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+Na+K"	61.952376
"1668147"	137.550038	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Na+K"	61.952376
"256854"	490.311168	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+ACN+Na"	64.015768
"1228834"	277.163468	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+ACN+Na"	64.015768
"1715535"	277.186993	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+NH4+HCOOH"	64.039293
"1184899"	94.0384513333333	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+3Na"	68.967654
"1653697"	282.142388	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Na+HCOOH"	68.994688
"162745"	503.21444	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+2K-H"	76.91904
"603399"	716.36214	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+2K-H"	76.91904
"1089005"	290.06674	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2K-H"	76.91904
"146186"	252.110858	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"2M+2K"	77.926316
"589755"	358.684708	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"3M+2K"	77.926316
"1074267"	145.537008	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2K"	77.926316
"1110756"	292.081292	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2K+H"	78.933592
"1339493"	292.168907	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+DMSO+H"	79.021207
"1008025"	296.208076	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2ACN+H"	83.060376
"1526152"	297.201708	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+IsoProp+Na+H"	84.054008
"993694"	148.607676	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+2ACN+2H"	84.067652
"1596952"	298.116328	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+K+HCOOH"	84.968628
"1428077"	328.147838	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+H+CF3COOH"	115.000138
"1155088"	169.120951	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+3ACN+2H"	125.094202
"1710106"	345.174385	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+NH4+CF3COOH"	132.026685
"1641382"	350.12978	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+Na+CF3COOH"	136.98208
"1579219"	366.10372	"C07035"	"Guanadrel"	"C10H19N3O2"	"213.1477"	"M+K+CF3COOH"	152.95602
"801685"	198.1844	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M"	0
"979838"	179.16601	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-H2O-H"	-19.01839
"70266"	131.115657333333	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M-3H"	-3.021828
"504358"	197.177124	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M-3H"	-3.021828
"882523"	65.0541906666667	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-3H"	-3.021828
"4018"	197.177124	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M-2H"	-2.014552
"443578"	296.269324	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M-2H"	-2.014552
"819195"	98.084924	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-2H"	-2.014552
"78643"	395.361524	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M-H"	-1.007276
"518977"	593.545924	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M-H"	-1.007276
"895675"	197.177124	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-H"	-1.007276
"47199"	412.388071	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M-2H+NH4"	16.019271
"487356"	610.572471	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M-2H+NH4"	16.019271
"865119"	214.203671	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-2H+NH4"	16.019271
"32170"	417.343466	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M-2H+Na"	20.974666
"471649"	615.527866	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M-2H+Na"	20.974666
"848637"	219.159066	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-2H+Na"	20.974666
"1618834"	219.159066	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Na-2H"	20.974666
"94673"	215.165463	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M-H+Cl"	33.962126
"534371"	314.257663	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M-H+Cl"	33.962126
"927141"	116.073263	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-H+Cl"	33.962126
"267234"	431.338202	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+Cl"	34.969402
"660039"	629.522602	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+Cl"	34.969402
"1272946"	233.153802	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Cl"	34.969402
"16151"	433.317406	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M-2H+K"	36.948606
"456483"	631.501806	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M-2H+K"	36.948606
"832946"	235.133006	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-2H+K"	36.948606
"1555597"	235.133006	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+K-2H"	36.948606
"943713"	243.182594	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-H+HCOOH"	44.998194
"361724"	441.367001	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+HCOOH-H"	44.998201
"346254"	455.382651	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+Hac-H"	59.013851
"1493102"	257.198251	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Hac-H"	59.013851
"958738"	265.164551	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-H+NaCOOH"	66.980151
"112310"	233.153802	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+2Cl"	69.938804
"550533"	332.246002	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+2Cl"	69.938804
"1023466"	134.061602	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2Cl"	69.938804
"1244140"	277.103285	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Br"	78.918885
"1306957"	279.159272	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Cl+HCOOH"	80.974872
"1327007"	301.141229	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Cl+NaCOOH"	102.956829
"919159"	311.169986	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M-H+CF3COOH"	112.985586
"1292950"	347.146664	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Cl+CF3COOH"	148.962264
"1372207"	163.171724	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H-2H2O"	-35.012676
"1387515"	181.1817	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H-H2O"	-17.0027
"286109"	397.376076	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+H"	1.007276
"677798"	595.560476	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+H"	1.007276
"1351545"	199.191676	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H"	1.007276
"126785"	199.191676	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+2H"	2.014552
"566832"	298.283876	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+2H"	2.014552
"1037695"	100.099476	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2H"	2.014552
"205229"	133.130209333333	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+3H"	3.021828
"645764"	199.191676	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+3H"	3.021828
"1164998"	67.0687426666667	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+3H"	3.021828
"425104"	414.402623	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+NH4"	18.033823
"792189"	612.587023	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+NH4"	18.033823
"1689614"	216.218223	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+NH4"	18.033823
"341173"	207.7049495	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+H+NH4"	19.041099
"735782"	306.7971495	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+H+NH4"	19.041099
"1492409"	108.6127495	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H+NH4"	19.041099
"408286"	419.358018	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+Na"	22.989218
"769693"	617.542418	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+Na"	22.989218
"1617743"	221.173618	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Na"	22.989218
"329361"	210.182647	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+H+Na"	23.996494
"719845"	309.274847	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+H+Na"	23.996494
"1469293"	111.090447	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H+Na"	23.996494
"1057070"	74.3960566666667	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2H+Na"	25.00377
"1259111"	231.217886	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+CH3OH+H"	33.033486
"383884"	435.331958	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+K"	38.963158
"742689"	633.516358	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+K"	38.963158
"1551302"	237.147558	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+K"	38.963158
"309571"	218.169617	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+H+K"	39.970434
"695431"	317.261817	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+H+K"	39.970434
"1447065"	119.077417	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H+K"	39.970434
"237852"	438.402626	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+ACN+H"	42.033826
"1212749"	240.218226	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+ACN+H"	42.033826
"1196996"	120.612751	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+ACN+2H"	43.041102
"190232"	441.33996	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+2Na-H"	44.97116
"630152"	639.52436	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+2Na-H"	44.97116
"1134032"	243.15556	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2Na-H"	44.97116
"174406"	221.173618	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+2Na"	45.978436
"615429"	320.265818	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+2Na"	45.978436
"1123312"	122.081418	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2Na"	45.978436
"1403557"	81.7233706666667	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H+2Na"	46.985712
"1441143"	245.197146	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H+HCOOH"	47.012746
"222088"	226.20664	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+3H2O+2H"	56.04448
"1510514"	259.24919	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+IsoProp+H"	61.06479
"419680"	229.160588	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+Na+K"	61.952376
"775207"	328.252788	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+Na+K"	61.952376
"1671538"	130.068388	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Na+K"	61.952376
"253683"	460.384568	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+ACN+Na"	64.015768
"1232957"	262.200168	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+ACN+Na"	64.015768
"1724030"	262.223693	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+NH4+HCOOH"	64.039293
"1181730"	89.0506846666667	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+3Na"	68.967654
"1653444"	267.179088	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Na+HCOOH"	68.994688
"162856"	473.28784	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+2K-H"	76.91904
"604605"	671.47224	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+2K-H"	76.91904
"1089117"	275.10344	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2K-H"	76.91904
"144474"	237.147558	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"2M+2K"	77.926316
"584399"	336.239758	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"3M+2K"	77.926316
"1072191"	138.055358	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2K"	77.926316
"1108680"	277.117992	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2K+H"	78.933592
"1337416"	277.205607	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+DMSO+H"	79.021207
"1007284"	281.244776	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2ACN+H"	83.060376
"1525653"	282.238408	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+IsoProp+Na+H"	84.054008
"992711"	141.126026	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+2ACN+2H"	84.067652
"1597062"	283.153028	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+K+HCOOH"	84.968628
"1428187"	313.184538	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+H+CF3COOH"	115.000138
"1162006"	161.639301	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+3ACN+2H"	125.094202
"1710216"	330.211085	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+NH4+CF3COOH"	132.026685
"1644773"	335.16648	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+Na+CF3COOH"	136.98208
"1576049"	351.14042	"C07036"	"Guanethidine"	"C10H22N4"	"198.1844"	"M+K+CF3COOH"	152.95602
"804227"	245.0123	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M"	0
"979948"	225.99391	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-H2O-H"	-19.01839
"71469"	162.334257333333	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M-3H"	-3.021828
"505196"	244.005024	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M-3H"	-3.021828
"882633"	80.6634906666667	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-3H"	-3.021828
"5221"	244.005024	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M-2H"	-2.014552
"443688"	366.511174	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M-2H"	-2.014552
"820398"	121.498874	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-2H"	-2.014552
"79658"	489.017324	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M-H"	-1.007276
"519457"	734.029624	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M-H"	-1.007276
"896655"	244.005024	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-H"	-1.007276
"47989"	506.043871	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M-2H+NH4"	16.019271
"487793"	751.056171	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M-2H+NH4"	16.019271
"865591"	261.031571	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-2H+NH4"	16.019271
"33613"	510.999266	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M-2H+Na"	20.974666
"472566"	756.011566	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M-2H+Na"	20.974666
"849156"	265.986966	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-2H+Na"	20.974666
"1618741"	265.986966	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Na-2H"	20.974666
"94702"	261.993363	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M-H+Cl"	33.962126
"534456"	384.499513	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M-H+Cl"	33.962126
"927482"	139.487213	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-H+Cl"	33.962126
"267702"	524.994002	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+Cl"	34.969402
"660364"	770.006302	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+Cl"	34.969402
"1273382"	279.981702	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Cl"	34.969402
"17397"	526.973206	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M-2H+K"	36.948606
"457200"	771.985506	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M-2H+K"	36.948606
"835005"	281.960906	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-2H+K"	36.948606
"1558856"	281.960906	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+K-2H"	36.948606
"948562"	290.010494	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-H+HCOOH"	44.998194
"364956"	535.022801	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+HCOOH-H"	44.998201
"347137"	549.038451	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+Hac-H"	59.013851
"1493657"	304.026151	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Hac-H"	59.013851
"960473"	311.992451	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-H+NaCOOH"	66.980151
"111933"	279.981702	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+2Cl"	69.938804
"551979"	402.487852	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+2Cl"	69.938804
"1022843"	157.475552	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2Cl"	69.938804
"1244615"	323.931185	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Br"	78.918885
"1309255"	325.987172	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Cl+HCOOH"	80.974872
"1328575"	347.969129	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Cl+NaCOOH"	102.956829
"916716"	357.997886	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M-H+CF3COOH"	112.985586
"1294155"	393.974564	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Cl+CF3COOH"	148.962264
"1370857"	209.999624	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H-2H2O"	-35.012676
"1387625"	228.0096	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H-H2O"	-17.0027
"286948"	491.031876	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+H"	1.007276
"677302"	736.044176	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+H"	1.007276
"1351325"	246.019576	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H"	1.007276
"126411"	246.019576	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+2H"	2.014552
"565694"	368.525726	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+2H"	2.014552
"1037092"	123.513426	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2H"	2.014552
"204407"	164.348809333333	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+3H"	3.021828
"644410"	246.019576	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+3H"	3.021828
"1164744"	82.6780426666667	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+3H"	3.021828
"424529"	508.058423	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+NH4"	18.033823
"797766"	753.070723	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+NH4"	18.033823
"1693003"	263.046123	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+NH4"	18.033823
"341282"	254.5328495	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+H+NH4"	19.041099
"730422"	377.0389995	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+H+NH4"	19.041099
"1492561"	132.0266995	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H+NH4"	19.041099
"401832"	513.013818	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+Na"	22.989218
"769522"	758.026118	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+Na"	22.989218
"1618268"	268.001518	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Na"	22.989218
"328866"	257.010547	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+H+Na"	23.996494
"718858"	379.516697	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+H+Na"	23.996494
"1471589"	134.504397	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H+Na"	23.996494
"1060460"	90.0053566666667	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2H+Na"	25.00377
"1259950"	278.045786	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+CH3OH+H"	33.033486
"386180"	528.987758	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+K"	38.963158
"750453"	774.000058	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+K"	38.963158
"1547038"	283.975458	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+K"	38.963158
"310774"	264.997517	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+H+K"	39.970434
"697728"	387.503667	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+H+K"	39.970434
"1448267"	142.491367	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H+K"	39.970434
"237962"	532.058426	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+ACN+H"	42.033826
"1213952"	287.046126	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+ACN+H"	42.033826
"1200022"	144.026701	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+ACN+2H"	43.041102
"193987"	534.99576	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+2Na-H"	44.97116
"629415"	780.00806	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+2Na-H"	44.97116
"1133413"	289.98346	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2Na-H"	44.97116
"173665"	268.001518	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+2Na"	45.978436
"616996"	390.507668	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+2Na"	45.978436
"1125609"	145.495368	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2Na"	45.978436
"1406947"	97.3326706666667	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H+2Na"	46.985712
"1443438"	292.025046	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H+HCOOH"	47.012746
"225478"	273.03454	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+3H2O+2H"	56.04448
"1512809"	306.07709	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+IsoProp+H"	61.06479
"419790"	275.988488	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+Na+K"	61.952376
"775317"	398.494638	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+Na+K"	61.952376
"1671646"	153.482338	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Na+K"	61.952376
"258166"	554.040368	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+ACN+Na"	64.015768
"1235253"	309.028068	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+ACN+Na"	64.015768
"1720858"	309.051593	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+NH4+HCOOH"	64.039293
"1187306"	104.659984666667	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+3Na"	68.967654
"1659385"	314.006988	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Na+HCOOH"	68.994688
"165152"	566.94364	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+2K-H"	76.91904
"604715"	811.95594	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+2K-H"	76.91904
"1089227"	321.93134	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2K-H"	76.91904
"144219"	283.975458	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"2M+2K"	77.926316
"584509"	406.481608	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"3M+2K"	77.926316
"1074488"	161.469308	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2K"	77.926316
"1110976"	323.945892	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2K+H"	78.933592
"1339711"	324.033507	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+DMSO+H"	79.021207
"1005931"	328.072676	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2ACN+H"	83.060376
"1524344"	329.066308	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+IsoProp+Na+H"	84.054008
"992092"	164.539976	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+2ACN+2H"	84.067652
"1593892"	329.980928	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+K+HCOOH"	84.968628
"1426110"	360.012438	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+H+CF3COOH"	115.000138
"1160778"	185.053251	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+3ACN+2H"	125.094202
"1709962"	377.038985	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+NH4+CF3COOH"	132.026685
"1644883"	381.99438	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+Na+CF3COOH"	136.98208
"1576159"	397.96832	"C07037"	"Guanfacine"	"C9H9Cl2N3O"	"245.0123"	"M+K+CF3COOH"	152.95602
"816369"	160.0749	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M"	0
"978965"	141.05651	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-H2O-H"	-19.01839
"72674"	105.709324	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M-3H"	-3.021828
"510047"	159.067624	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M-3H"	-3.021828
"887849"	52.351024	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-3H"	-3.021828
"8612"	159.067624	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M-2H"	-2.014552
"447078"	239.105074	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M-2H"	-2.014552
"823790"	79.030174	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-2H"	-2.014552
"79894"	319.142524	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M-H"	-1.007276
"519078"	479.217424	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M-H"	-1.007276
"896647"	159.067624	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-H"	-1.007276
"47290"	336.169071	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M-2H+NH4"	16.019271
"487418"	496.243971	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M-2H+NH4"	16.019271
"864407"	176.094171	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-2H+NH4"	16.019271
"31742"	341.124466	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M-2H+Na"	20.974666
"472432"	501.199366	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M-2H+Na"	20.974666
"849505"	181.049566	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-2H+Na"	20.974666
"1624402"	181.049566	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Na-2H"	20.974666
"96557"	177.055963	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M-H+Cl"	33.962126
"536116"	257.093413	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M-H+Cl"	33.962126
"927925"	97.018513	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-H+Cl"	33.962126
"268425"	355.119202	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+Cl"	34.969402
"660723"	515.194102	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+Cl"	34.969402
"1273125"	195.044302	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Cl"	34.969402
"16413"	357.098406	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M-2H+K"	36.948606
"456458"	517.173306	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M-2H+K"	36.948606
"834386"	197.023506	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-2H+K"	36.948606
"1556777"	197.023506	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+K-2H"	36.948606
"947579"	205.073094	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-H+HCOOH"	44.998194
"363971"	365.148001	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+HCOOH-H"	44.998201
"346032"	379.163651	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+Hac-H"	59.013851
"1493405"	219.088751	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Hac-H"	59.013851
"959851"	227.055051	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-H+NaCOOH"	66.980151
"113865"	195.044302	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+2Cl"	69.938804
"553061"	275.081752	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+2Cl"	69.938804
"1021980"	115.006852	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2Cl"	69.938804
"1245454"	238.993785	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Br"	78.918885
"1309365"	241.049772	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Cl+HCOOH"	80.974872
"1330507"	263.031729	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Cl+NaCOOH"	102.956829
"917191"	273.060486	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M-H+CF3COOH"	112.985586
"1298273"	309.037164	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Cl+CF3COOH"	148.962264
"1371331"	125.062224	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H-2H2O"	-35.012676
"1382910"	143.0722	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H-H2O"	-17.0027
"285235"	321.157076	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+H"	1.007276
"676561"	481.231976	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+H"	1.007276
"1351397"	161.082176	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H"	1.007276
"126034"	161.082176	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+2H"	2.014552
"565908"	241.119626	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+2H"	2.014552
"1037260"	81.044726	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2H"	2.014552
"204717"	107.723876	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+3H"	3.021828
"644437"	161.082176	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+3H"	3.021828
"1165947"	54.365576	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+3H"	3.021828
"424437"	338.183623	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+NH4"	18.033823
"798969"	498.258523	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+NH4"	18.033823
"1693113"	178.108723	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+NH4"	18.033823
"342121"	169.5954495	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+H+NH4"	19.041099
"730532"	249.6328995	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+H+NH4"	19.041099
"1492622"	89.5579995	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H+NH4"	19.041099
"403035"	343.139018	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+Na"	22.989218
"769510"	503.213918	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+Na"	22.989218
"1618214"	183.064118	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Na"	22.989218
"328608"	172.073147	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+H+Na"	23.996494
"718968"	252.110597	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+H+Na"	23.996494
"1472792"	92.035697	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H+Na"	23.996494
"1063850"	61.69289	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2H+Na"	25.00377
"1261153"	193.108386	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+CH3OH+H"	33.033486
"388475"	359.112958	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+K"	38.963158
"747283"	519.187858	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+K"	38.963158
"1547148"	199.038058	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+K"	38.963158
"308697"	180.060117	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+H+K"	39.970434
"693464"	260.097567	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+H+K"	39.970434
"1448377"	100.022667	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H+K"	39.970434
"236978"	362.183626	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+ACN+H"	42.033826
"1214062"	202.108726	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+ACN+H"	42.033826
"1197945"	101.558001	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+ACN+2H"	43.041102
"195190"	365.12096	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+2Na-H"	44.97116
"628957"	525.19586	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+2Na-H"	44.97116
"1133523"	205.04606	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2Na-H"	44.97116
"174017"	183.064118	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+2Na"	45.978436
"619292"	263.101568	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+2Na"	45.978436
"1120613"	103.026668	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2Na"	45.978436
"1404870"	69.020204	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H+2Na"	46.985712
"1442455"	207.087646	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H+HCOOH"	47.012746
"223402"	188.09714	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+3H2O+2H"	56.04448
"1512191"	221.13969	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+IsoProp+H"	61.06479
"418807"	191.051088	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+Na+K"	61.952376
"774698"	271.088538	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+Na+K"	61.952376
"1669570"	111.013638	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Na+K"	61.952376
"258276"	384.165568	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+ACN+Na"	64.015768
"1234264"	224.090668	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+ACN+Na"	64.015768
"1718778"	224.114193	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+NH4+HCOOH"	64.039293
"1187415"	76.347518	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+3Na"	68.967654
"1659495"	229.069588	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Na+HCOOH"	68.994688
"164169"	397.06884	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+2K-H"	76.91904
"604825"	557.14374	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+2K-H"	76.91904
"1089701"	236.99394	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2K-H"	76.91904
"144329"	199.038058	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"2M+2K"	77.926316
"585714"	279.075508	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"3M+2K"	77.926316
"1072413"	119.000608	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2K"	77.926316
"1103433"	239.008492	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2K+H"	78.933592
"1338732"	239.096107	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+DMSO+H"	79.021207
"1007383"	243.135276	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2ACN+H"	83.060376
"1527579"	244.128908	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+IsoProp+Na+H"	84.054008
"995121"	122.071276	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+2ACN+2H"	84.067652
"1596189"	245.043528	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+K+HCOOH"	84.968628
"1425127"	275.075038	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+H+CF3COOH"	115.000138
"1157608"	142.584551	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+3ACN+2H"	125.094202
"1710072"	292.101585	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+NH4+CF3COOH"	132.026685
"1644993"	297.05698	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+Na+CF3COOH"	136.98208
"1576269"	313.03092	"C07040"	"Hydralazine"	"C8H8N4"	"160.0749"	"M+K+CF3COOH"	152.95602
"801895"	296.9645	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M"	0
"976159"	277.94611	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-H2O-H"	-19.01839
"69504"	196.969057333333	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M-3H"	-3.021828
"506877"	295.957224	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M-3H"	-3.021828
"887959"	97.9808906666667	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-3H"	-3.021828
"8722"	295.957224	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M-2H"	-2.014552
"446095"	444.439474	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M-2H"	-2.014552
"822807"	147.474974	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-2H"	-2.014552
"79882"	592.921724	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M-H"	-1.007276
"518587"	889.886224	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M-H"	-1.007276
"896515"	295.957224	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-H"	-1.007276
"47362"	609.948271	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M-2H+NH4"	16.019271
"487284"	906.912771	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M-2H+NH4"	16.019271
"864603"	312.983771	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-2H+NH4"	16.019271
"32505"	614.903666	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M-2H+Na"	20.974666
"471473"	911.868166	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M-2H+Na"	20.974666
"848804"	317.939166	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-2H+Na"	20.974666
"1624512"	317.939166	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Na-2H"	20.974666
"96667"	313.945563	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M-H+Cl"	33.962126
"536226"	462.427813	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M-H+Cl"	33.962126
"928158"	165.463313	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-H+Cl"	33.962126
"268170"	628.898402	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+Cl"	34.969402
"660592"	925.862902	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+Cl"	34.969402
"1272850"	331.933902	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Cl"	34.969402
"16767"	630.877606	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M-2H+K"	36.948606
"456329"	927.842106	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M-2H+K"	36.948606
"834496"	333.913106	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-2H+K"	36.948606
"1558712"	333.913106	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+K-2H"	36.948606
"946596"	341.962694	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-H+HCOOH"	44.998194
"363718"	638.927201	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+HCOOH-H"	44.998201
"347964"	652.942851	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+Hac-H"	59.013851
"1493880"	355.978351	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Hac-H"	59.013851
"959961"	363.944651	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-H+NaCOOH"	66.980151
"111788"	331.933902	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+2Cl"	69.938804
"554265"	480.416152	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+2Cl"	69.938804
"1022332"	183.451652	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2Cl"	69.938804
"1244107"	375.883385	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Br"	78.918885
"1308747"	377.939372	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Cl+HCOOH"	80.974872
"1328430"	399.921329	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Cl+NaCOOH"	102.956829
"914021"	409.950086	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M-H+CF3COOH"	112.985586
"1296198"	445.926764	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Cl+CF3COOH"	148.962264
"1371078"	261.951824	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H-2H2O"	-35.012676
"1383225"	279.9618	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H-H2O"	-17.0027
"288262"	594.936276	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+H"	1.007276
"675772"	891.900776	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+H"	1.007276
"1351424"	297.971776	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H"	1.007276
"126145"	297.971776	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+2H"	2.014552
"567276"	446.454026	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+2H"	2.014552
"1037655"	149.489526	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2H"	2.014552
"205676"	198.983609333333	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+3H"	3.021828
"644509"	297.971776	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+3H"	3.021828
"1163859"	99.9954426666667	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+3H"	3.021828
"426399"	611.962823	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+NH4"	18.033823
"800662"	908.927323	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+NH4"	18.033823
"1696753"	314.998323	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+NH4"	18.033823
"341503"	306.4850495	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+H+NH4"	19.041099
"738507"	454.9672995	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+H+NH4"	19.041099
"1490297"	158.0027995	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H+NH4"	19.041099
"403145"	616.918218	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+Na"	22.989218
"769933"	913.882718	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+Na"	22.989218
"1618369"	319.953718	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Na"	22.989218
"328718"	308.962747	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+H+Na"	23.996494
"716891"	457.444997	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+H+Na"	23.996494
"1470715"	160.480497	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H+Na"	23.996494
"1065782"	107.322756666667	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2H+Na"	25.00377
"1260170"	329.997986	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+CH3OH+H"	33.033486
"388585"	632.892158	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+K"	38.963158
"747394"	929.856658	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+K"	38.963158
"1549446"	335.927658	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+K"	38.963158
"306621"	316.949717	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+H+K"	39.970434
"701230"	465.431967	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+H+K"	39.970434
"1451769"	168.467467	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H+K"	39.970434
"241464"	635.962826	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+ACN+H"	42.033826
"1219640"	338.998326	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+ACN+H"	42.033826
"1199148"	170.002801	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+ACN+2H"	43.041102
"193113"	638.90016	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+2Na-H"	44.97116
"629149"	935.86466	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+2Na-H"	44.97116
"1131464"	341.93566	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2Na-H"	44.97116
"173059"	319.953718	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+2Na"	45.978436
"616121"	468.435968	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+2Na"	45.978436
"1118171"	171.471468	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2Na"	45.978436
"1407167"	114.650070666667	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H+2Na"	46.985712
"1433086"	343.977246	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H+HCOOH"	47.012746
"224238"	324.98674	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+3H2O+2H"	56.04448
"1513028"	358.02929	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+IsoProp+H"	61.06479
"411256"	327.940688	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+Na+K"	61.952376
"774808"	476.422938	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+Na+K"	61.952376
"1668222"	179.458438	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Na+K"	61.952376
"255106"	657.944768	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+ACN+Na"	64.015768
"1232188"	360.980268	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+ACN+Na"	64.015768
"1718888"	361.003793	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+NH4+HCOOH"	64.039293
"1187525"	121.977384666667	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+3Na"	68.967654
"1653042"	365.959188	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Na+HCOOH"	68.994688
"164279"	670.84804	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+2K-H"	76.91904
"604935"	967.81254	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+2K-H"	76.91904
"1087988"	373.88354	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2K-H"	76.91904
"143710"	335.927658	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"2M+2K"	77.926316
"583029"	484.409908	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"3M+2K"	77.926316
"1071430"	187.445408	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2K"	77.926316
"1102450"	375.898092	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2K+H"	78.933592
"1339206"	375.985707	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+DMSO+H"	79.021207
"1007006"	380.024876	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2ACN+H"	83.060376
"1525984"	381.018508	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+IsoProp+Na+H"	84.054008
"996323"	190.516076	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+2ACN+2H"	84.067652
"1599578"	381.933128	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+K+HCOOH"	84.968628
"1425237"	411.964638	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+H+CF3COOH"	115.000138
"1158811"	211.029351	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+3ACN+2H"	125.094202
"1709453"	428.991185	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+NH4+CF3COOH"	132.026685
"1645103"	433.94658	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+Na+CF3COOH"	136.98208
"1576379"	449.92052	"C07041"	"Hydrochlorothiazide"	"C7H8ClN3O4S2"	"296.9645"	"M+K+CF3COOH"	152.95602
"806744"	285.1365	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M"	0
"978092"	266.11811	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"69614"	189.083724	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"506987"	284.129224	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"891349"	94.038224	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"11019"	284.129224	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"449485"	426.697474	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"824010"	141.560974	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"84002"	569.265724	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"526842"	854.402224	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"896865"	284.129224	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"50272"	586.292271	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"487184"	871.428771	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"864440"	301.155771	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"31442"	591.247666	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"471415"	876.384166	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"848626"	306.111166	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1622435"	306.111166	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"95683"	302.117563	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"537430"	444.685813	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"928392"	159.549313	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"267260"	605.242402	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"660700"	890.378902	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1273056"	320.105902	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"16142"	607.221606	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"456192"	892.358106	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"832903"	322.085106	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1556675"	322.085106	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"944883"	330.134694	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"364194"	615.271201	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"347709"	629.286851	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1495082"	344.150351	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"960800"	352.116651	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"112263"	320.105902	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"553648"	462.674152	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1022929"	177.537652	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1244946"	364.055385	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1305577"	366.111372	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1325260"	388.093329	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"914131"	398.122086	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1298494"	434.098764	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1371552"	250.123824	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1384307"	268.1338	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"288372"	571.280276	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"677148"	856.416776	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1352402"	286.143776	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"125807"	286.143776	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"566910"	428.712026	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1037522"	143.575526	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"204576"	191.098276	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"644864"	286.143776	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1164939"	96.052776	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"426144"	588.306823	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"800902"	873.443323	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1696131"	303.170323	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"341977"	294.6570495	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"738055"	437.2252995	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1490407"	152.0887995	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"405438"	593.262218	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"769366"	878.398718	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1618070"	308.125718	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"328221"	297.134747	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"718088"	439.702997	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1475069"	154.566497	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1064070"	103.38009	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1258457"	318.169986	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"387603"	609.236158	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"749692"	894.372658	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1546276"	324.099658	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"305638"	305.121717	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"700249"	447.689967	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1456256"	162.553467	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"248864"	612.306826	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1215377"	327.170326	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1201445"	164.088801	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"195410"	615.24416	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"628693"	900.38066	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1132037"	330.10766	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"175088"	308.125718	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"614287"	450.693968	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1118646"	165.557468	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1407277"	110.707404	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1441580"	332.149246	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"225807"	313.15874	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1514962"	346.20129	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"411366"	316.112688	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"770545"	458.680938	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1668697"	173.544438	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"254122"	634.288768	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1231205"	349.152268	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1721184"	349.175793	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1183256"	118.034718	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1652059"	354.131188	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"161473"	647.19204	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"605045"	932.32854	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1087369"	362.05554	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"147467"	324.099658	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"584840"	466.667908	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1072633"	181.531408	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1100738"	364.070092	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1337129"	364.157707	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1006752"	368.196876	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1527796"	369.190508	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"996433"	184.602076	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1596407"	370.105128	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1424254"	400.136638	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1158921"	205.115351	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1709563"	417.163185	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1641933"	422.11858	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1573573"	438.09252	"C07042"	"Hydromorphone"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"801789"	335.1764	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M"	0
"976015"	316.15801	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-H2O-H"	-19.01839
"66444"	222.443657333333	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M-3H"	-3.021828
"504910"	334.169124	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M-3H"	-3.021828
"891459"	110.718190666667	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-3H"	-3.021828
"10036"	334.169124	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M-2H"	-2.014552
"450691"	501.757324	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M-2H"	-2.014552
"823026"	166.580924	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-2H"	-2.014552
"86299"	669.345524	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M-H"	-1.007276
"523672"	1004.521924	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M-H"	-1.007276
"901475"	334.169124	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-H"	-1.007276
"50382"	686.372071	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M-2H+NH4"	16.019271
"487302"	1021.548471	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M-2H+NH4"	16.019271
"865191"	351.195671	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-2H+NH4"	16.019271
"31491"	691.327466	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M-2H+Na"	20.974666
"471481"	1026.503866	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M-2H+Na"	20.974666
"850088"	356.151066	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-2H+Na"	20.974666
"1623639"	356.151066	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Na-2H"	20.974666
"98346"	352.157463	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M-H+Cl"	33.962126
"535718"	519.745663	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M-H+Cl"	33.962126
"928867"	184.569263	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-H+Cl"	33.962126
"267256"	705.322202	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+Cl"	34.969402
"660275"	1040.498602	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+Cl"	34.969402
"1274305"	370.145802	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Cl"	34.969402
"16373"	707.301406	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M-2H+K"	36.948606
"455782"	1042.477806	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M-2H+K"	36.948606
"835812"	372.125006	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-2H+K"	36.948606
"1560027"	372.125006	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+K-2H"	36.948606
"944629"	380.174594	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-H+HCOOH"	44.998194
"365397"	715.351001	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+HCOOH-H"	44.998201
"348183"	729.366651	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+Hac-H"	59.013851
"1495560"	394.190251	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Hac-H"	59.013851
"960549"	402.156551	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-H+NaCOOH"	66.980151
"114563"	370.145802	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+2Cl"	69.938804
"550355"	537.734002	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+2Cl"	69.938804
"1022065"	202.557602	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2Cl"	69.938804
"1245785"	414.095285	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Br"	78.918885
"1308963"	416.151272	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Cl+HCOOH"	80.974872
"1323177"	438.133229	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Cl+NaCOOH"	102.956829
"916426"	448.161986	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M-H+CF3COOH"	112.985586
"1299698"	484.138664	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Cl+CF3COOH"	148.962264
"1374578"	300.163724	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H-2H2O"	-35.012676
"1385512"	318.1737	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H-H2O"	-17.0027
"295043"	671.360076	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+H"	1.007276
"680903"	1006.536476	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+H"	1.007276
"1355064"	336.183676	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H"	1.007276
"126856"	336.183676	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+2H"	2.014552
"565925"	503.771876	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+2H"	2.014552
"1037274"	168.595476	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2H"	2.014552
"205052"	224.458209333333	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+3H"	3.021828
"644853"	336.183676	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+3H"	3.021828
"1163716"	112.732742666667	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+3H"	3.021828
"425532"	688.386623	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+NH4"	18.033823
"800650"	1023.563023	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+NH4"	18.033823
"1696614"	353.210223	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+NH4"	18.033823
"345305"	344.6969495	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+H+NH4"	19.041099
"737676"	512.2851495	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+H+NH4"	19.041099
"1492347"	177.1087495	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H+NH4"	19.041099
"407375"	693.342018	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+Na"	22.989218
"769113"	1028.518418	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+Na"	22.989218
"1617572"	358.165618	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Na"	22.989218
"328333"	347.174647	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+H+Na"	23.996494
"721604"	514.762847	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+H+Na"	23.996494
"1473115"	179.586447	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H+Na"	23.996494
"1063088"	120.060056666667	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2H+Na"	25.00377
"1260390"	368.209886	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+CH3OH+H"	33.033486
"385527"	709.315958	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+K"	38.963158
"749802"	1044.492358	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+K"	38.963158
"1546386"	374.139558	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+K"	38.963158
"306842"	355.161617	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+H+K"	39.970434
"700359"	522.749817	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+H+K"	39.970434
"1451992"	187.573417	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H+K"	39.970434
"247883"	712.386626	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+ACN+H"	42.033826
"1220591"	377.210226	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+ACN+H"	42.033826
"1201555"	189.108751	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+ACN+2H"	43.041102
"195519"	715.32396	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+2Na-H"	44.97116
"630709"	1050.50036	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+2Na-H"	44.97116
"1132187"	380.14756	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2Na-H"	44.97116
"174713"	358.165618	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+2Na"	45.978436
"616342"	525.753818	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+2Na"	45.978436
"1119120"	190.577418	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2Na"	45.978436
"1406294"	127.387370666667	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H+2Na"	46.985712
"1436223"	382.189146	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H+HCOOH"	47.012746
"224824"	363.19864	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+3H2O+2H"	56.04448
"1512886"	396.24119	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+IsoProp+H"	61.06479
"411477"	366.152588	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+Na+K"	61.952376
"771019"	533.740788	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+Na+K"	61.952376
"1667712"	198.564388	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Na+K"	61.952376
"255325"	734.368568	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+ACN+Na"	64.015768
"1231314"	399.192168	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+ACN+Na"	64.015768
"1720201"	399.215693	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+NH4+HCOOH"	64.039293
"1185554"	134.714684666667	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+3Na"	68.967654
"1651075"	404.171088	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Na+HCOOH"	68.994688
"161583"	747.27184	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+2K-H"	76.91904
"597455"	1082.44824	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+2K-H"	76.91904
"1084927"	412.09544	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2K-H"	76.91904
"144659"	374.139558	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"2M+2K"	77.926316
"582763"	541.727758	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"3M+2K"	77.926316
"1069098"	206.551358	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2K"	77.926316
"1100850"	414.109992	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2K+H"	78.933592
"1337239"	414.197607	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+DMSO+H"	79.021207
"1006620"	418.236776	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2ACN+H"	83.060376
"1524988"	419.230408	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+IsoProp+Na+H"	84.054008
"993261"	209.622026	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+2ACN+2H"	84.067652
"1596517"	420.145028	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+K+HCOOH"	84.968628
"1427644"	450.176538	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+H+CF3COOH"	115.000138
"1157936"	230.135301	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+3ACN+2H"	125.094202
"1708580"	467.203085	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+NH4+CF3COOH"	132.026685
"1642043"	472.15848	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+Na+CF3COOH"	136.98208
"1573683"	488.13242	"C07043"	"Hydroxychloroquine"	"C18H26ClN3O"	"335.1764"	"M+K+CF3COOH"	152.95602
"816983"	76.0273	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M"	0
"989577"	57.00891	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-H2O-H"	-19.01839
"73118"	49.6775906666667	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M-3H"	-3.021828
"517051"	75.020024	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M-3H"	-3.021828
"892666"	24.3351573333333	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-3H"	-3.021828
"11242"	75.020024	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M-2H"	-2.014552
"448615"	113.033674	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M-2H"	-2.014552
"824231"	37.006374	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-2H"	-2.014552
"82036"	151.047324	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M-H"	-1.007276
"519529"	227.074624	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M-H"	-1.007276
"899399"	75.020024	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-H"	-1.007276
"51586"	168.073871	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M-2H+NH4"	16.019271
"489081"	244.101171	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M-2H+NH4"	16.019271
"868947"	92.046571	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-2H+NH4"	16.019271
"32958"	173.029266	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M-2H+Na"	20.974666
"472523"	249.056566	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M-2H+Na"	20.974666
"848855"	97.001966	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-2H+Na"	20.974666
"1619738"	97.001966	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Na-2H"	20.974666
"98092"	93.008363	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M-H+Cl"	33.962126
"535099"	131.022013	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M-H+Cl"	33.962126
"928614"	54.994713	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-H+Cl"	33.962126
"267326"	187.024002	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+Cl"	34.969402
"663236"	263.051302	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+Cl"	34.969402
"1277828"	110.996702	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Cl"	34.969402
"19290"	189.003206	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M-2H+K"	36.948606
"459215"	265.030506	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M-2H+K"	36.948606
"838839"	112.975906	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-2H+K"	36.948606
"1562327"	112.975906	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+K-2H"	36.948606
"946928"	121.025494	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-H+HCOOH"	44.998194
"365142"	197.052801	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+HCOOH-H"	44.998201
"350485"	211.068451	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+Hac-H"	59.013851
"1498224"	135.041151	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Hac-H"	59.013851
"960293"	143.007451	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-H+NaCOOH"	66.980151
"117589"	110.996702	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+2Cl"	69.938804
"550581"	149.010352	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+2Cl"	69.938804
"1027773"	72.983052	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2Cl"	69.938804
"1245536"	154.946185	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Br"	78.918885
"1306888"	157.002172	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Cl+HCOOH"	80.974872
"1326573"	178.984129	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Cl+NaCOOH"	102.956829
"920912"	189.012886	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M-H+CF3COOH"	112.985586
"1298714"	224.989564	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Cl+CF3COOH"	148.962264
"1377970"	41.014624	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H-2H2O"	-35.012676
"1394373"	59.0246	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H-H2O"	-17.0027
"295153"	153.061876	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+H"	1.007276
"682107"	229.089176	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+H"	1.007276
"1355538"	77.034576	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H"	1.007276
"126966"	77.034576	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+2H"	2.014552
"565766"	115.048226	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+2H"	2.014552
"1037305"	39.020926	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2H"	2.014552
"204556"	51.6921426666667	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+3H"	3.021828
"644967"	77.034576	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+3H"	3.021828
"1163015"	26.3497093333333	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+3H"	3.021828
"424792"	170.088423	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+NH4"	18.033823
"801003"	246.115723	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+NH4"	18.033823
"1696721"	94.061123	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+NH4"	18.033823
"345401"	85.5478495	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+H+NH4"	19.041099
"738063"	123.5614995	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+H+NH4"	19.041099
"1492085"	47.5341995	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H+NH4"	19.041099
"408256"	175.043818	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+Na"	22.989218
"769213"	251.071118	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+Na"	22.989218
"1615853"	99.016518	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Na"	22.989218
"326985"	88.025547	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+H+Na"	23.996494
"716125"	126.039197	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+H+Na"	23.996494
"1468853"	50.011897	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H+Na"	23.996494
"1066114"	33.6770233333333	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2H+Na"	25.00377
"1270343"	109.060786	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+CH3OH+H"	33.033486
"384544"	191.017758	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+K"	38.963158
"746631"	267.045058	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+K"	38.963158
"1547590"	114.990458	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+K"	38.963158
"305860"	96.012517	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+H+K"	39.970434
"698281"	134.026167	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+H+K"	39.970434
"1458662"	57.998867	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H+K"	39.970434
"243983"	194.088426	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+ACN+H"	42.033826
"1216690"	118.061126	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+ACN+H"	42.033826
"1197295"	59.534201	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+ACN+2H"	43.041102
"193442"	197.02576	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+2Na-H"	44.97116
"632646"	273.05306	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+2Na-H"	44.97116
"1131812"	120.99846	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2Na-H"	44.97116
"173358"	99.016518	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+2Na"	45.978436
"615358"	137.030168	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+2Na"	45.978436
"1120324"	61.002868	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2Na"	45.978436
"1408593"	41.0043373333333	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H+2Na"	46.985712
"1434510"	123.040046	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H+HCOOH"	47.012746
"227124"	104.04954	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+3H2O+2H"	56.04448
"1509229"	137.09209	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+IsoProp+H"	61.06479
"410008"	107.003488	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+Na+K"	61.952376
"777328"	145.017138	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+Na+K"	61.952376
"1670742"	68.989838	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Na+K"	61.952376
"255803"	216.070368	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+ACN+Na"	64.015768
"1230333"	140.043068	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+ACN+Na"	64.015768
"1722498"	140.066593	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+NH4+HCOOH"	64.039293
"1184572"	48.3316513333333	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+3Na"	68.967654
"1653739"	145.021988	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Na+HCOOH"	68.994688
"161693"	228.97364	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+2K-H"	76.91904
"599432"	305.00094	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+2K-H"	76.91904
"1084224"	152.94634	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2K-H"	76.91904
"141568"	114.990458	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"2M+2K"	77.926316
"587251"	153.004108	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"3M+2K"	77.926316
"1077231"	76.976808	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2K"	77.926316
"1104972"	154.960892	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2K+H"	78.933592
"1336985"	155.048507	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+DMSO+H"	79.021207
"1012080"	159.087676	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2ACN+H"	83.060376
"1533485"	160.081308	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+IsoProp+Na+H"	84.054008
"995560"	80.047476	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+2ACN+2H"	84.067652
"1596627"	160.995928	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+K+HCOOH"	84.968628
"1428726"	191.027438	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+H+CF3COOH"	115.000138
"1159139"	100.560751	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+3ACN+2H"	125.094202
"1711242"	208.053985	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+NH4+CF3COOH"	132.026685
"1642153"	213.00938	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+Na+CF3COOH"	136.98208
"1573429"	228.98332	"C07044"	"Hydroxyurea;Hydroxycarbamide"	"CH4N2O2"	"76.0273"	"M+K+CF3COOH"	152.95602
"810355"	374.1761	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M"	0
"977693"	355.15771	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-H2O-H"	-19.01839
"64841"	248.443457333333	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M-3H"	-3.021828
"506223"	373.168824	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M-3H"	-3.021828
"886213"	123.718090666667	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-3H"	-3.021828
"8071"	373.168824	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M-2H"	-2.014552
"446537"	560.256874	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M-2H"	-2.014552
"824340"	186.080774	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-2H"	-2.014552
"85426"	747.344924	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M-H"	-1.007276
"522799"	1121.521024	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M-H"	-1.007276
"899262"	373.168824	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-H"	-1.007276
"48534"	764.371471	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M-2H+NH4"	16.019271
"487847"	1138.547571	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M-2H+NH4"	16.019271
"865287"	390.195371	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-2H+NH4"	16.019271
"32208"	769.326866	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M-2H+Na"	20.974666
"471929"	1143.502966	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M-2H+Na"	20.974666
"849007"	395.150766	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-2H+Na"	20.974666
"1620090"	395.150766	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Na-2H"	20.974666
"97472"	391.157163	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M-H+Cl"	33.962126
"535572"	578.245213	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M-H+Cl"	33.962126
"929090"	204.069113	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-H+Cl"	33.962126
"268250"	783.321602	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+Cl"	34.969402
"662618"	1157.497702	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+Cl"	34.969402
"1276844"	409.145502	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Cl"	34.969402
"19400"	785.300806	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M-2H+K"	36.948606
"458961"	1159.476906	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M-2H+K"	36.948606
"841136"	411.124706	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-2H+K"	36.948606
"1562437"	411.124706	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+K-2H"	36.948606
"947766"	419.174294	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-H+HCOOH"	44.998194
"364521"	793.350401	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+HCOOH-H"	44.998201
"350230"	807.366051	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+Hac-H"	59.013851
"1496146"	433.189951	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Hac-H"	59.013851
"961492"	441.156251	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-H+NaCOOH"	66.980151
"115147"	409.145502	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+2Cl"	69.938804
"551790"	596.233552	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+2Cl"	69.938804
"1024967"	222.057452	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2Cl"	69.938804
"1245646"	453.094985	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Br"	78.918885
"1305903"	455.150972	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Cl+HCOOH"	80.974872
"1322672"	477.132929	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Cl+NaCOOH"	102.956829
"917742"	487.161686	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M-H+CF3COOH"	112.985586
"1298824"	523.138364	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Cl+CF3COOH"	148.962264
"1380267"	339.163424	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H-2H2O"	-35.012676
"1391203"	357.1734	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H-H2O"	-17.0027
"291983"	749.359476	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+H"	1.007276
"678937"	1123.535576	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+H"	1.007276
"1353093"	375.183376	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H"	1.007276
"127803"	375.183376	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+2H"	2.014552
"566142"	562.271426	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+2H"	2.014552
"1037363"	188.095326	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2H"	2.014552
"204539"	250.458009333333	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+3H"	3.021828
"644590"	375.183376	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+3H"	3.021828
"1163571"	125.732642666667	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+3H"	3.021828
"424537"	766.386023	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+NH4"	18.033823
"795142"	1140.562123	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+NH4"	18.033823
"1693666"	392.209923	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+NH4"	18.033823
"342673"	383.6966495	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+H+NH4"	19.041099
"735456"	570.7846995	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+H+NH4"	19.041099
"1487088"	196.6085995	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H+NH4"	19.041099
"400301"	771.341418	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+Na"	22.989218
"767864"	1145.517518	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+Na"	22.989218
"1617056"	397.165318	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Na"	22.989218
"326001"	386.174347	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+H+Na"	23.996494
"718420"	573.262397	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+H+Na"	23.996494
"1468962"	199.086297	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H+Na"	23.996494
"1066226"	133.059956666667	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2H+Na"	25.00377
"1271546"	407.209586	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+CH3OH+H"	33.033486
"389029"	787.315358	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+K"	38.963158
"746741"	1161.491458	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+K"	38.963158
"1545514"	413.139258	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+K"	38.963158
"304877"	394.161317	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+H+K"	39.970434
"701671"	581.249367	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+H+K"	39.970434
"1458772"	207.073267	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H+K"	39.970434
"248466"	790.386026	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+ACN+H"	42.033826
"1216800"	416.209926	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+ACN+H"	42.033826
"1199591"	208.608601	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+ACN+2H"	43.041102
"192459"	793.32336	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+2Na-H"	44.97116
"632756"	1167.49946	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+2Na-H"	44.97116
"1132126"	419.14726	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2Na-H"	44.97116
"173955"	397.165318	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+2Na"	45.978436
"616560"	584.253368	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+2Na"	45.978436
"1118976"	210.077268	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2Na"	45.978436
"1409798"	140.387270666667	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H+2Na"	46.985712
"1434257"	421.188846	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H+HCOOH"	47.012746
"227234"	402.19834	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+3H2O+2H"	56.04448
"1510557"	435.24089	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+IsoProp+H"	61.06479
"409511"	405.152288	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+Na+K"	61.952376
"777438"	592.240338	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+Na+K"	61.952376
"1673404"	218.064238	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Na+K"	61.952376
"257736"	812.367968	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+ACN+Na"	64.015768
"1229714"	438.191868	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+ACN+Na"	64.015768
"1720421"	438.215393	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+NH4+HCOOH"	64.039293
"1184682"	147.714584666667	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+3Na"	68.967654
"1653849"	443.170788	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Na+HCOOH"	68.994688
"161803"	825.27124	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+2K-H"	76.91904
"604646"	1199.44734	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+2K-H"	76.91904
"1084541"	451.09514	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2K-H"	76.91904
"141838"	413.139258	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"2M+2K"	77.926316
"582619"	600.227308	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"3M+2K"	77.926316
"1071872"	226.051208	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2K"	77.926316
"1102166"	453.109692	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2K+H"	78.933592
"1341471"	453.197307	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+DMSO+H"	79.021207
"1017658"	457.236476	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2ACN+H"	83.060376
"1531408"	458.230108	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+IsoProp+Na+H"	84.054008
"995670"	229.121876	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+2ACN+2H"	84.067652
"1596737"	459.144728	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+K+HCOOH"	84.968628
"1420209"	489.176238	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+H+CF3COOH"	115.000138
"1160342"	249.635151	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+3ACN+2H"	125.094202
"1711351"	506.202785	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+NH4+CF3COOH"	132.026685
"1644451"	511.15818	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+Na+CF3COOH"	136.98208
"1580100"	527.13212	"C07045"	"Hydroxyzine"	"C21H27ClN2O2"	"374.1761"	"M+K+CF3COOH"	152.95602
"803904"	260.0248	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M"	0
"980719"	241.00641	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H2O-H"	-19.01839
"70054"	172.342590666667	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-3H"	-3.021828
"505240"	259.017524	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-3H"	-3.021828
"885229"	85.6676573333333	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-3H"	-3.021828
"9274"	259.017524	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H"	-2.014552
"446647"	389.029924	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H"	-2.014552
"824450"	129.005124	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H"	-2.014552
"82620"	519.042324	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-H"	-1.007276
"521814"	779.067124	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-H"	-1.007276
"898157"	259.017524	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H"	-1.007276
"49373"	536.068871	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H+NH4"	16.019271
"492457"	796.093671	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H+NH4"	16.019271
"864787"	276.044071	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H+NH4"	16.019271
"32202"	541.024266	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H+Na"	20.974666
"472123"	801.049066	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H+Na"	20.974666
"848830"	280.999466	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H+Na"	20.974666
"1620201"	280.999466	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na-2H"	20.974666
"100498"	277.005863	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-H+Cl"	33.962126
"535561"	407.018263	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-H+Cl"	33.962126
"931387"	146.993463	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+Cl"	33.962126
"268360"	555.019002	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Cl"	34.969402
"661143"	815.043802	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+Cl"	34.969402
"1276224"	294.994202	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl"	34.969402
"22791"	556.998206	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H+K"	36.948606
"463445"	817.023006	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H+K"	36.948606
"839060"	296.973406	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H+K"	36.948606
"1559630"	296.973406	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K-2H"	36.948606
"946783"	305.022994	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+HCOOH"	44.998194
"364630"	565.047801	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+HCOOH-H"	44.998201
"350339"	579.063451	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Hac-H"	59.013851
"1495892"	319.038651	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Hac-H"	59.013851
"959902"	327.004951	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+NaCOOH"	66.980151
"115256"	294.994202	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2Cl"	69.938804
"551892"	425.006602	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2Cl"	69.938804
"1023982"	164.981802	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2Cl"	69.938804
"1245756"	338.943685	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Br"	78.918885
"1306011"	340.999672	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl+HCOOH"	80.974872
"1322421"	362.981629	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl+NaCOOH"	102.956829
"917852"	373.010386	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+CF3COOH"	112.985586
"1295655"	408.987064	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl+CF3COOH"	148.962264
"1380742"	225.012124	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H-2H2O"	-35.012676
"1391314"	243.0221	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H-H2O"	-17.0027
"292093"	521.056876	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H"	1.007276
"677953"	781.081676	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H"	1.007276
"1353205"	261.032076	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H"	1.007276
"126454"	261.032076	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2H"	2.014552
"565746"	391.044476	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2H"	2.014552
"1037234"	131.019676	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2H"	2.014552
"204448"	174.357142666667	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+3H"	3.021828
"644825"	261.032076	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+3H"	3.021828
"1165514"	87.6822093333333	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+3H"	3.021828
"425500"	538.083423	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+NH4"	18.033823
"800691"	798.108223	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+NH4"	18.033823
"1695234"	278.058623	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+NH4"	18.033823
"345296"	269.5453495	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H+NH4"	19.041099
"738039"	399.5577495	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H+NH4"	19.041099
"1489385"	139.5329495	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+NH4"	19.041099
"401504"	543.038818	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Na"	22.989218
"769068"	803.063618	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+Na"	22.989218
"1613888"	283.014018	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na"	22.989218
"323925"	272.023047	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H+Na"	23.996494
"718530"	402.035447	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H+Na"	23.996494
"1470165"	142.010647	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+Na"	23.996494
"1066338"	95.0095233333333	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2H+Na"	25.00377
"1270931"	293.058286	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+CH3OH+H"	33.033486
"390598"	559.012758	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+K"	38.963158
"745760"	819.037558	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+K"	38.963158
"1547810"	298.987958	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K"	38.963158
"307174"	280.010017	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H+K"	39.970434
"701781"	410.022417	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H+K"	39.970434
"1456693"	149.997617	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+K"	39.970434
"249308"	562.083426	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+ACN+H"	42.033826
"1219097"	302.058626	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+ACN+H"	42.033826
"1199701"	151.532951	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+ACN+2H"	43.041102
"198037"	565.02076	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2Na-H"	44.97116
"632138"	825.04556	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2Na-H"	44.97116
"1132724"	304.99596	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2Na-H"	44.97116
"174067"	283.014018	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2Na"	45.978436
"614969"	413.026418	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2Na"	45.978436
"1117872"	153.001618	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2Na"	45.978436
"1411001"	102.336837333333	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+2Na"	46.985712
"1436554"	307.037546	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+HCOOH"	47.012746
"227344"	288.04704	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+3H2O+2H"	56.04448
"1511031"	321.08959	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+IsoProp+H"	61.06479
"409500"	291.000988	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Na+K"	61.952376
"779371"	421.013388	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+Na+K"	61.952376
"1671691"	160.988588	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na+K"	61.952376
"257846"	584.065368	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+ACN+Na"	64.015768
"1231646"	324.040568	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+ACN+Na"	64.015768
"1715064"	324.064093	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+NH4+HCOOH"	64.039293
"1183698"	109.664151333333	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+3Na"	68.967654
"1653594"	329.019488	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na+HCOOH"	68.994688
"158507"	596.96864	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2K-H"	76.91904
"599652"	856.99344	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2K-H"	76.91904
"1085379"	336.94384	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2K-H"	76.91904
"142433"	298.987958	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2K"	77.926316
"585280"	429.000358	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2K"	77.926316
"1071982"	168.975558	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2K"	77.926316
"1101912"	338.958392	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2K+H"	78.933592
"1341581"	339.046007	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+DMSO+H"	79.021207
"1013393"	343.085176	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2ACN+H"	83.060376
"1531518"	344.078808	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+IsoProp+Na+H"	84.054008
"996874"	172.046226	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2ACN+2H"	84.067652
"1591377"	344.993428	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K+HCOOH"	84.968628
"1421413"	375.024938	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+CF3COOH"	115.000138
"1160452"	192.559501	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+3ACN+2H"	125.094202
"1711825"	392.051485	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+NH4+CF3COOH"	132.026685
"1645654"	397.00688	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na+CF3COOH"	136.98208
"1580210"	412.98082	"C07047"	"Ifosfamide;Isophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K+CF3COOH"	152.95602
"810575"	280.1939	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M"	0
"976454"	261.17551	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-H2O-H"	-19.01839
"65790"	185.788657333333	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M-3H"	-3.021828
"505350"	279.186624	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M-3H"	-3.021828
"883152"	92.3906906666667	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-3H"	-3.021828
"6104"	279.186624	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M-2H"	-2.014552
"441775"	419.283574	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M-2H"	-2.014552
"822737"	139.089674	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-2H"	-2.014552
"84186"	559.380524	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M-H"	-1.007276
"523746"	839.574424	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M-H"	-1.007276
"898995"	279.186624	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-H"	-1.007276
"48268"	576.407071	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M-2H+NH4"	16.019271
"488192"	856.600971	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M-2H+NH4"	16.019271
"864339"	296.213171	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-2H+NH4"	16.019271
"31630"	581.362466	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M-2H+Na"	20.974666
"471744"	861.556366	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M-2H+Na"	20.974666
"848697"	301.168566	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-2H+Na"	20.974666
"1620069"	301.168566	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Na-2H"	20.974666
"97692"	297.174963	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M-H+Cl"	33.962126
"535793"	437.271913	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M-H+Cl"	33.962126
"932590"	157.078013	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-H+Cl"	33.962126
"268225"	595.357202	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+Cl"	34.969402
"661376"	875.551102	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+Cl"	34.969402
"1272904"	315.163302	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Cl"	34.969402
"17430"	597.336406	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M-2H+K"	36.948606
"460275"	877.530306	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M-2H+K"	36.948606
"839170"	317.142506	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-2H+K"	36.948606
"1559010"	317.142506	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+K-2H"	36.948606
"946893"	325.192094	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-H+HCOOH"	44.998194
"362553"	605.386001	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+HCOOH-H"	44.998201
"349720"	619.401651	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+Hac-H"	59.013851
"1494544"	339.207751	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Hac-H"	59.013851
"959889"	347.174051	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-H+NaCOOH"	66.980151
"114637"	315.163302	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+2Cl"	69.938804
"550546"	455.260252	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+2Cl"	69.938804
"1023727"	175.066352	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2Cl"	69.938804
"1245866"	359.112785	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Br"	78.918885
"1305028"	361.168772	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Cl+HCOOH"	80.974872
"1322531"	383.150729	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Cl+NaCOOH"	102.956829
"917962"	393.179486	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M-H+CF3COOH"	112.985586
"1295765"	429.156164	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Cl+CF3COOH"	148.962264
"1380488"	245.181224	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H-2H2O"	-35.012676
"1391424"	263.1912	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H-H2O"	-17.0027
"292203"	561.395076	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+H"	1.007276
"679156"	841.588976	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+H"	1.007276
"1352948"	281.201176	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H"	1.007276
"125705"	281.201176	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+2H"	2.014552
"566479"	421.298126	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+2H"	2.014552
"1037508"	141.104226	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2H"	2.014552
"206100"	187.803209333333	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+3H"	3.021828
"644249"	281.201176	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+3H"	3.021828
"1162780"	94.4052426666667	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+3H"	3.021828
"425612"	578.421623	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+NH4"	18.033823
"794269"	858.615523	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+NH4"	18.033823
"1696315"	298.227723	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+NH4"	18.033823
"339975"	289.7144495	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+H+NH4"	19.041099
"734584"	429.8113995	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+H+NH4"	19.041099
"1487308"	149.6174995	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H+NH4"	19.041099
"403800"	583.377018	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+Na"	22.989218
"769543"	863.570918	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+Na"	22.989218
"1610718"	303.183118	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Na"	22.989218
"324034"	292.192147	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+H+Na"	23.996494
"716453"	432.289097	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+H+Na"	23.996494
"1469181"	152.095197	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H+Na"	23.996494
"1062440"	101.732556666667	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2H+Na"	25.00377
"1272133"	313.227386	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+CH3OH+H"	33.033486
"388887"	599.350958	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+K"	38.963158
"748056"	879.544858	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+K"	38.963158
"1544641"	319.157058	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+K"	38.963158
"306190"	300.179117	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+H+K"	39.970434
"702984"	440.276067	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+H+K"	39.970434
"1455710"	160.082167	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H+K"	39.970434
"250147"	602.421626	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+ACN+H"	42.033826
"1219207"	322.227726	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+ACN+H"	42.033826
"1199811"	161.617501	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+ACN+2H"	43.041102
"199240"	605.35896	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+2Na-H"	44.97116
"630054"	885.55286	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+2Na-H"	44.97116
"1132590"	325.16506	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2Na-H"	44.97116
"173935"	303.183118	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+2Na"	45.978436
"616415"	443.280068	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+2Na"	45.978436
"1118100"	163.086168	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2Na"	45.978436
"1401629"	109.059870666667	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H+2Na"	46.985712
"1436664"	327.206646	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H+HCOOH"	47.012746
"229641"	308.21614	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+3H2O+2H"	56.04448
"1523902"	341.25869	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+IsoProp+H"	61.06479
"416297"	311.170088	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+Na+K"	61.952376
"778750"	451.267038	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+Na+K"	61.952376
"1676904"	171.073138	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Na+K"	61.952376
"258685"	624.403568	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+ACN+Na"	64.015768
"1236133"	344.209668	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+ACN+Na"	64.015768
"1718821"	344.233193	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+NH4+HCOOH"	64.039293
"1181987"	116.387184666667	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+3Na"	68.967654
"1652974"	349.188588	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Na+HCOOH"	68.994688
"158982"	637.30684	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+2K-H"	76.91904
"599762"	917.50074	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+2K-H"	76.91904
"1087189"	357.11294	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2K-H"	76.91904
"148018"	319.157058	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"2M+2K"	77.926316
"583198"	459.254008	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"3M+2K"	77.926316
"1073185"	179.060108	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2K"	77.926316
"1101411"	359.127492	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2K+H"	78.933592
"1340598"	359.215107	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+DMSO+H"	79.021207
"1011317"	363.254276	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2ACN+H"	83.060376
"1530535"	364.247908	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+IsoProp+Na+H"	84.054008
"1004276"	182.130776	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+2ACN+2H"	84.067652
"1599143"	365.162528	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+K+HCOOH"	84.968628
"1429177"	395.194038	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+H+CF3COOH"	115.000138
"1157281"	202.644051	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+3ACN+2H"	125.094202
"1711205"	412.220585	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+NH4+CF3COOH"	132.026685
"1645764"	417.17598	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+Na+CF3COOH"	136.98208
"1580320"	433.14992	"C07049"	"Imipramine"	"C19H24N2"	"280.1939"	"M+K+CF3COOH"	152.95602
"801937"	613.3628	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M"	0
"975835"	594.34441	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-H2O-H"	-19.01839
"68087"	407.901257333333	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M-3H"	-3.021828
"504731"	612.355524	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M-3H"	-3.021828
"882169"	203.446990666667	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-3H"	-3.021828
"1961"	612.355524	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M-2H"	-2.014552
"440305"	919.036924	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M-2H"	-2.014552
"823576"	305.674124	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-2H"	-2.014552
"83568"	1225.718324	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M-H"	-1.007276
"523127"	1839.081124	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M-H"	-1.007276
"897649"	612.355524	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-H"	-1.007276
"47890"	1242.744871	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M-2H+NH4"	16.019271
"489396"	1856.107671	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M-2H+NH4"	16.019271
"864328"	629.382071	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-2H+NH4"	16.019271
"31535"	1247.700266	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M-2H+Na"	20.974666
"471572"	1861.063066	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M-2H+Na"	20.974666
"848525"	634.337466	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-2H+Na"	20.974666
"1618595"	634.337466	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Na-2H"	20.974666
"94550"	630.343863	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M-H+Cl"	33.962126
"534600"	937.025263	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M-H+Cl"	33.962126
"929420"	323.662463	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-H+Cl"	33.962126
"267397"	1261.695002	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+Cl"	34.969402
"660142"	1875.057802	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+Cl"	34.969402
"1272811"	648.332202	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Cl"	34.969402
"16568"	1263.674206	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M-2H+K"	36.948606
"456247"	1877.037006	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M-2H+K"	36.948606
"834174"	650.311406	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-2H+K"	36.948606
"1555676"	650.311406	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+K-2H"	36.948606
"943112"	658.360994	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-H+HCOOH"	44.998194
"361464"	1271.723801	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+HCOOH-H"	44.998201
"346912"	1285.739451	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+Hac-H"	59.013851
"1493027"	672.376651	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Hac-H"	59.013851
"958702"	680.342951	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-H+NaCOOH"	66.980151
"112192"	648.332202	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+2Cl"	69.938804
"550212"	955.013602	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+2Cl"	69.938804
"1021767"	341.650802	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2Cl"	69.938804
"1243424"	692.281685	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Br"	78.918885
"1305139"	694.337672	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Cl+HCOOH"	80.974872
"1323734"	716.319629	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Cl+NaCOOH"	102.956829
"914792"	726.348386	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M-H+CF3COOH"	112.985586
"1295875"	762.325064	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Cl+CF3COOH"	148.962264
"1380597"	578.350124	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H-2H2O"	-35.012676
"1391534"	596.3601	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H-H2O"	-17.0027
"293406"	1227.732876	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+H"	1.007276
"678173"	1841.095676	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+H"	1.007276
"1351966"	614.370076	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H"	1.007276
"126553"	614.370076	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+2H"	2.014552
"565858"	921.051476	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+2H"	2.014552
"1037373"	307.688676	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2H"	2.014552
"205841"	409.915809333333	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+3H"	3.021828
"645898"	614.370076	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+3H"	3.021828
"1163292"	205.461542666667	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+3H"	3.021828
"426438"	1244.759423	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+NH4"	18.033823
"787083"	1858.122223	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+NH4"	18.033823
"1696182"	631.396623	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+NH4"	18.033823
"341178"	622.8833495	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+H+NH4"	19.041099
"734694"	929.5647495	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+H+NH4"	19.041099
"1487418"	316.2019495	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H+NH4"	19.041099
"402817"	1249.714818	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+Na"	22.989218
"766005"	1863.077618	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+Na"	22.989218
"1613013"	636.352018	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Na"	22.989218
"323048"	625.361047	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+H+Na"	23.996494
"714374"	932.042447	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+H+Na"	23.996494
"1467101"	318.679647	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H+Na"	23.996494
"1061455"	212.788856666667	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2H+Na"	25.00377
"1270054"	646.396286	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+CH3OH+H"	33.033486
"387172"	1265.688758	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+K"	38.963158
"741605"	1879.051558	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+K"	38.963158
"1543655"	652.325958	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+K"	38.963158
"301924"	633.348017	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+H+K"	39.970434
"697627"	940.029417	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+H+K"	39.970434
"1452539"	326.666617	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H+K"	39.970434
"243328"	1268.759426	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+ACN+H"	42.033826
"1213850"	655.396626	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+ACN+H"	42.033826
"1195910"	328.201951	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+ACN+2H"	43.041102
"188809"	1271.69676	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+2Na-H"	44.97116
"628658"	1885.05956	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+2Na-H"	44.97116
"1131596"	658.33396	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2Na-H"	44.97116
"173074"	636.352018	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+2Na"	45.978436
"613607"	943.033418	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+2Na"	45.978436
"1117117"	329.670618	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2Na"	45.978436
"1400646"	220.116170666667	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H+2Na"	46.985712
"1436774"	660.375546	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H+HCOOH"	47.012746
"223190"	641.38504	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+3H2O+2H"	56.04448
"1518907"	674.42759	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+IsoProp+H"	61.06479
"412396"	644.338988	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+Na+K"	61.952376
"778496"	951.020388	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+Na+K"	61.952376
"1673735"	337.657588	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Na+K"	61.952376
"259160"	1290.741368	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+ACN+Na"	64.015768
"1232963"	677.378568	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+ACN+Na"	64.015768
"1715651"	677.402093	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+NH4+HCOOH"	64.039293
"1181732"	227.443484666667	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+3Na"	68.967654
"1651262"	682.357488	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Na+HCOOH"	68.994688
"158241"	1303.64464	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+2K-H"	76.91904
"599872"	1917.00744	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+2K-H"	76.91904
"1085477"	690.28184	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2K-H"	76.91904
"148128"	652.325958	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"2M+2K"	77.926316
"581970"	959.007358	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"3M+2K"	77.926316
"1072202"	345.644558	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2K"	77.926316
"1100913"	692.296392	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2K+H"	78.933592
"1342894"	692.384007	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+DMSO+H"	79.021207
"1012520"	696.423176	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2ACN+H"	83.060376
"1530645"	697.416808	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+IsoProp+Na+H"	84.054008
"1004749"	348.715226	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+2ACN+2H"	84.067652
"1599253"	698.331428	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+K+HCOOH"	84.968628
"1428194"	728.362938	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+H+CF3COOH"	115.000138
"1157391"	369.228501	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+3ACN+2H"	125.094202
"1710222"	745.389485	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+NH4+CF3COOH"	132.026685
"1645874"	750.34488	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+Na+CF3COOH"	136.98208
"1580430"	766.31882	"C07051"	"Indinavir"	"C36H47N5O4"	"613.3628"	"M+K+CF3COOH"	152.95602
"802775"	332.2226	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M"	0
"975945"	313.20421	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-H2O-H"	-19.01839
"67468"	220.474457333333	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M-3H"	-3.021828
"505204"	331.215324	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M-3H"	-3.021828
"883372"	109.733590666667	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-3H"	-3.021828
"3043"	331.215324	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M-2H"	-2.014552
"440778"	497.326624	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M-2H"	-2.014552
"824779"	165.104024	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-2H"	-2.014552
"83677"	663.437924	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M-H"	-1.007276
"523237"	995.660524	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M-H"	-1.007276
"897758"	331.215324	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-H"	-1.007276
"48852"	680.464471	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M-2H+NH4"	16.019271
"489505"	1012.687071	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M-2H+NH4"	16.019271
"864627"	348.241871	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-2H+NH4"	16.019271
"31919"	685.419866	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M-2H+Na"	20.974666
"472323"	1017.642466	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M-2H+Na"	20.974666
"848916"	353.197266	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-2H+Na"	20.974666
"1620287"	353.197266	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Na-2H"	20.974666
"94992"	349.203663	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M-H+Cl"	33.962126
"535646"	515.314963	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M-H+Cl"	33.962126
"928067"	183.092363	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-H+Cl"	33.962126
"268809"	699.414602	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+Cl"	34.969402
"661230"	1031.637202	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+Cl"	34.969402
"1273390"	367.192002	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Cl"	34.969402
"17285"	701.393806	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M-2H+K"	36.948606
"455725"	1033.616406	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M-2H+K"	36.948606
"834647"	369.171206	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-2H+K"	36.948606
"1556025"	369.171206	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+K-2H"	36.948606
"944922"	377.220794	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-H+HCOOH"	44.998194
"363139"	709.443401	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+HCOOH-H"	44.998201
"349575"	723.459051	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+Hac-H"	59.013851
"1493668"	391.236451	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Hac-H"	59.013851
"958808"	399.202751	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-H+NaCOOH"	66.980151
"110095"	367.192002	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+2Cl"	69.938804
"551130"	533.303302	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+2Cl"	69.938804
"1021525"	201.080702	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2Cl"	69.938804
"1245355"	411.141485	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Br"	78.918885
"1305612"	413.197472	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Cl+HCOOH"	80.974872
"1323113"	435.179429	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Cl+NaCOOH"	102.956829
"913807"	445.208186	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M-H+CF3COOH"	112.985586
"1295985"	481.184864	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Cl+CF3COOH"	148.962264
"1380586"	297.209924	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H-2H2O"	-35.012676
"1390550"	315.2199	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H-H2O"	-17.0027
"293516"	665.452476	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+H"	1.007276
"679011"	997.675076	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+H"	1.007276
"1352560"	333.229876	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H"	1.007276
"126419"	333.229876	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+2H"	2.014552
"565974"	499.341176	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+2H"	2.014552
"1037157"	167.118576	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2H"	2.014552
"204857"	222.489009333333	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+3H"	3.021828
"644385"	333.229876	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+3H"	3.021828
"1164004"	111.748142666667	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+3H"	3.021828
"425817"	682.479023	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+NH4"	18.033823
"789015"	1014.701623	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+NH4"	18.033823
"1694469"	350.256423	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+NH4"	18.033823
"342380"	341.7431495	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+H+NH4"	19.041099
"736626"	507.8544495	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+H+NH4"	19.041099
"1487528"	175.6318495	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H+NH4"	19.041099
"404020"	687.434418	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+Na"	22.989218
"768298"	1019.657018	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+Na"	22.989218
"1612027"	355.211818	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Na"	22.989218
"324251"	344.220847	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+H+Na"	23.996494
"710110"	510.332147	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+H+Na"	23.996494
"1462838"	178.109547	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H+Na"	23.996494
"1058277"	119.075456666667	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2H+Na"	25.00377
"1266518"	365.256086	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+CH3OH+H"	33.033486
"382906"	703.408358	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+K"	38.963158
"739889"	1035.630958	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+K"	38.963158
"1541943"	371.185758	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+K"	38.963158
"299604"	352.207817	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+H+K"	39.970434
"694457"	518.319117	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+H+K"	39.970434
"1449368"	186.096517	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H+K"	39.970434
"243438"	706.479026	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+ACN+H"	42.033826
"1211407"	374.256426	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+ACN+H"	42.033826
"1196020"	187.631851	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+ACN+2H"	43.041102
"188882"	709.41636	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+2Na-H"	44.97116
"629176"	1041.63896	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+2Na-H"	44.97116
"1131986"	377.19376	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2Na-H"	44.97116
"173666"	355.211818	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+2Na"	45.978436
"613348"	521.323118	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+2Na"	45.978436
"1117954"	189.100518	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2Na"	45.978436
"1401119"	126.402770666667	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H+2Na"	46.985712
"1439070"	379.235346	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H+HCOOH"	47.012746
"223662"	360.24484	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+3H2O+2H"	56.04448
"1519017"	393.28739	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+IsoProp+H"	61.06479
"413235"	363.198788	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+Na+K"	61.952376
"775324"	529.310088	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+Na+K"	61.952376
"1672752"	197.087488	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Na+K"	61.952376
"254532"	728.460968	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+ACN+Na"	64.015768
"1230158"	396.238368	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+ACN+Na"	64.015768
"1713574"	396.261893	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+NH4+HCOOH"	64.039293
"1180018"	133.730084666667	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+3Na"	68.967654
"1651370"	401.217288	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Na+HCOOH"	68.994688
"157986"	741.36424	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+2K-H"	76.91904
"599982"	1073.58684	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+2K-H"	76.91904
"1085338"	409.14164	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2K-H"	76.91904
"147145"	371.185758	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"2M+2K"	77.926316
"581794"	537.297058	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"3M+2K"	77.926316
"1070236"	205.074458	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2K"	77.926316
"1100072"	411.156192	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2K+H"	78.933592
"1341911"	411.243807	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+DMSO+H"	79.021207
"1012630"	415.282976	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2ACN+H"	83.060376
"1526381"	416.276608	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+IsoProp+Na+H"	84.054008
"996112"	208.145126	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+2ACN+2H"	84.067652
"1593896"	417.191228	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+K+HCOOH"	84.968628
"1427940"	447.222738	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+H+CF3COOH"	115.000138
"1158594"	228.658401	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+3ACN+2H"	125.094202
"1708145"	464.249285	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+NH4+CF3COOH"	132.026685
"1639424"	469.20468	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+Na+CF3COOH"	136.98208
"1580540"	485.17862	"C07052"	"Ipratropium"	"C20H30NO3"	"332.2226"	"M+K+CF3COOH"	152.95602
"803250"	239.1521	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M"	0
"976788"	220.13371	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-H2O-H"	-19.01839
"67216"	158.427457333333	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M-3H"	-3.021828
"506776"	238.144824	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M-3H"	-3.021828
"885671"	78.7100906666667	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-3H"	-3.021828
"6434"	238.144824	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M-2H"	-2.014552
"441620"	357.720874	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M-2H"	-2.014552
"825984"	118.568774	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-2H"	-2.014552
"80140"	477.296924	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M-H"	-1.007276
"525534"	716.449024	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M-H"	-1.007276
"897868"	238.144824	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-H"	-1.007276
"48962"	494.323471	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M-2H+NH4"	16.019271
"490710"	733.475571	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M-2H+NH4"	16.019271
"865717"	255.171371	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-2H+NH4"	16.019271
"34227"	499.278866	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M-2H+Na"	20.974666
"475972"	738.430966	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M-2H+Na"	20.974666
"849397"	260.126766	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-2H+Na"	20.974666
"1620035"	260.126766	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Na-2H"	20.974666
"99847"	256.133163	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M-H+Cl"	33.962126
"535758"	375.709213	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M-H+Cl"	33.962126
"928544"	136.557113	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-H+Cl"	33.962126
"268920"	513.273602	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+Cl"	34.969402
"662799"	752.425702	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+Cl"	34.969402
"1274837"	274.121502	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Cl"	34.969402
"17395"	515.252806	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M-2H+K"	36.948606
"456953"	754.404906	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M-2H+K"	36.948606
"833782"	276.100706	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-2H+K"	36.948606
"1556423"	276.100706	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+K-2H"	36.948606
"946858"	284.150294	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-H+HCOOH"	44.998194
"365439"	523.302401	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+HCOOH-H"	44.998201
"347499"	537.318051	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+Hac-H"	59.013851
"1494144"	298.165951	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Hac-H"	59.013851
"960590"	306.132251	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-H+NaCOOH"	66.980151
"112780"	274.121502	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+2Cl"	69.938804
"551247"	393.697552	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+2Cl"	69.938804
"1024786"	154.545452	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2Cl"	69.938804
"1244737"	318.070985	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Br"	78.918885
"1310833"	320.126972	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Cl+HCOOH"	80.974872
"1327235"	342.108929	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Cl+NaCOOH"	102.956829
"926194"	352.137686	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M-H+CF3COOH"	112.985586
"1302657"	388.114364	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Cl+CF3COOH"	148.962264
"1380820"	204.139424	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H-2H2O"	-35.012676
"1391753"	222.1494	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H-H2O"	-17.0027
"295814"	479.311476	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+H"	1.007276
"681676"	718.463576	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+H"	1.007276
"1353648"	240.159376	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H"	1.007276
"125963"	240.159376	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+2H"	2.014552
"567310"	359.735426	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+2H"	2.014552
"1038539"	120.583326	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2H"	2.014552
"204368"	160.442009333333	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+3H"	3.021828
"644661"	240.159376	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+3H"	3.021828
"1164858"	80.7246426666667	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+3H"	3.021828
"424967"	496.338023	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+NH4"	18.033823
"785840"	735.490123	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+NH4"	18.033823
"1685457"	257.185923	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+NH4"	18.033823
"343220"	248.6726495	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+H+NH4"	19.041099
"737465"	368.2486995	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+H+NH4"	19.041099
"1489463"	129.0965995	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H+NH4"	19.041099
"407415"	501.293418	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+Na"	22.989218
"766224"	740.445518	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+Na"	22.989218
"1611046"	262.141318	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Na"	22.989218
"325455"	251.150347	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+H+Na"	23.996494
"716782"	370.726397	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+H+Na"	23.996494
"1470604"	131.574297	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H+Na"	23.996494
"1061663"	88.0519566666667	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2H+Na"	25.00377
"1264440"	272.185586	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+CH3OH+H"	33.033486
"384108"	517.267358	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+K"	38.963158
"739634"	756.419458	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+K"	38.963158
"1544970"	278.115258	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+K"	38.963158
"300079"	259.137317	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+H+K"	39.970434
"696751"	378.713367	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+H+K"	39.970434
"1448750"	139.561267	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H+K"	39.970434
"239538"	520.338026	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+ACN+H"	42.033826
"1212248"	281.185926	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+ACN+H"	42.033826
"1197591"	141.096601	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+ACN+2H"	43.041102
"195200"	523.27536	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+2Na-H"	44.97116
"628921"	762.42746	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+2Na-H"	44.97116
"1132920"	284.12326	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2Na-H"	44.97116
"176091"	262.141318	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+2Na"	45.978436
"616750"	381.717368	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+2Na"	45.978436
"1122811"	142.565268	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2Na"	45.978436
"1405971"	95.3792706666667	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H+2Na"	46.985712
"1440276"	286.164846	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H+HCOOH"	47.012746
"228881"	267.17434	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+3H2O+2H"	56.04448
"1519127"	300.21689	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+IsoProp+H"	61.06479
"416627"	270.128288	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+Na+K"	61.952376
"775438"	389.704338	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+Na+K"	61.952376
"1671769"	150.552238	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Na+K"	61.952376
"255370"	542.319968	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+ACN+Na"	64.015768
"1228806"	303.167868	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+ACN+Na"	64.015768
"1716236"	303.191393	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+NH4+HCOOH"	64.039293
"1179644"	102.706584666667	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+3Na"	68.967654
"1651600"	308.146788	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Na+HCOOH"	68.994688
"157853"	555.22324	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+2K-H"	76.91904
"599722"	794.37534	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+2K-H"	76.91904
"1086786"	316.07114	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2K-H"	76.91904
"142873"	278.115258	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"2M+2K"	77.926316
"583527"	397.691308	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"3M+2K"	77.926316
"1070953"	158.539208	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2K"	77.926316
"1103436"	318.085692	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2K+H"	78.933592
"1335766"	318.173307	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+DMSO+H"	79.021207
"1009459"	322.212476	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2ACN+H"	83.060376
"1530866"	323.206108	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+IsoProp+Na+H"	84.054008
"995129"	161.609876	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+2ACN+2H"	84.067652
"1602027"	324.120728	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+K+HCOOH"	84.968628
"1429512"	354.152238	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+H+CF3COOH"	115.000138
"1155424"	182.123151	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+3ACN+2H"	125.094202
"1704976"	371.178785	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+NH4+CF3COOH"	132.026685
"1646094"	376.13418	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+Na+CF3COOH"	136.98208
"1580650"	392.10812	"C07053"	"Isoetharine"	"C13H21NO3"	"239.1521"	"M+K+CF3COOH"	152.95602
"803723"	137.0589	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M"	0
"982360"	118.04051	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-H2O-H"	-19.01839
"64041"	90.365324	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M-3H"	-3.021828
"509072"	136.051624	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M-3H"	-3.021828
"885781"	44.679024	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-3H"	-3.021828
"7637"	136.051624	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M-2H"	-2.014552
"442823"	204.581074	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M-2H"	-2.014552
"823908"	67.522174	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-2H"	-2.014552
"79764"	273.110524	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M-H"	-1.007276
"526737"	410.169424	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M-H"	-1.007276
"898342"	136.051624	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-H"	-1.007276
"49436"	290.137071	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M-2H+NH4"	16.019271
"491913"	427.195971	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M-2H+NH4"	16.019271
"864976"	153.078171	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-2H+NH4"	16.019271
"34337"	295.092466	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M-2H+Na"	20.974666
"476083"	432.151366	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M-2H+Na"	20.974666
"849025"	158.033566	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-2H+Na"	20.974666
"1620629"	158.033566	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Na-2H"	20.974666
"99957"	154.039963	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M-H+Cl"	33.962126
"537325"	222.569413	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M-H+Cl"	33.962126
"930111"	85.510513	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-H+Cl"	33.962126
"268299"	309.087202	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+Cl"	34.969402
"662180"	446.146102	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+Cl"	34.969402
"1274947"	172.028302	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Cl"	34.969402
"18234"	311.066406	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M-2H+K"	36.948606
"457185"	448.125306	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M-2H+K"	36.948606
"833892"	174.007506	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-2H+K"	36.948606
"1556895"	174.007506	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+K-2H"	36.948606
"944055"	182.057094	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-H+HCOOH"	44.998194
"364093"	319.116001	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+HCOOH-H"	44.998201
"347613"	333.131651	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+Hac-H"	59.013851
"1493283"	196.072751	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Hac-H"	59.013851
"959610"	204.039051	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-H+NaCOOH"	66.980151
"111798"	172.028302	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+2Cl"	69.938804
"553180"	240.557752	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+2Cl"	69.938804
"1023440"	103.498852	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2Cl"	69.938804
"1241358"	215.977785	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Br"	78.918885
"1304743"	218.033772	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Cl+HCOOH"	80.974872
"1320410"	240.015729	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Cl+NaCOOH"	102.956829
"914028"	250.044486	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M-H+CF3COOH"	112.985586
"1300580"	286.021164	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Cl+CF3COOH"	148.962264
"1369995"	102.046224	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H-2H2O"	-35.012676
"1385305"	120.0562	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H-H2O"	-17.0027
"289363"	275.125076	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+H"	1.007276
"678138"	412.183976	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+H"	1.007276
"1353756"	138.066176	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H"	1.007276
"125890"	138.066176	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+2H"	2.014552
"567299"	206.595626	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+2H"	2.014552
"1037348"	69.536726	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2H"	2.014552
"204376"	92.379876	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+3H"	3.021828
"644243"	138.066176	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+3H"	3.021828
"1166060"	46.693576	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+3H"	3.021828
"424261"	292.151623	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+NH4"	18.033823
"785739"	429.210523	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+NH4"	18.033823
"1685567"	155.092723	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+NH4"	18.033823
"341505"	146.5794495	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+H+NH4"	19.041099
"737211"	215.1088995	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+H+NH4"	19.041099
"1490304"	78.0499995	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H+NH4"	19.041099
"402055"	297.107018	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+Na"	22.989218
"766333"	434.165918	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+Na"	22.989218
"1607876"	160.048118	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Na"	22.989218
"329212"	149.057147	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+H+Na"	23.996494
"721266"	217.586597	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+H+Na"	23.996494
"1473994"	80.527697	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H+Na"	23.996494
"1065053"	54.02089	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2H+Na"	25.00377
"1264550"	170.092386	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+CH3OH+H"	33.033486
"384218"	313.080958	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+K"	38.963158
"739746"	450.139858	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+K"	38.963158
"1545081"	176.022058	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+K"	38.963158
"301526"	157.044117	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+H+K"	39.970434
"694675"	225.573567	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+H+K"	39.970434
"1447767"	88.514667	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H+K"	39.970434
"238919"	316.151626	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+ACN+H"	42.033826
"1214910"	179.092726	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+ACN+H"	42.033826
"1199158"	90.050001	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+ACN+2H"	43.041102
"193852"	319.08896	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+2Na-H"	44.97116
"628910"	456.14786	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+2Na-H"	44.97116
"1133273"	182.03006	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2Na-H"	44.97116
"177295"	160.048118	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+2Na"	45.978436
"617953"	228.577568	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+2Na"	45.978436
"1122557"	91.518668	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2Na"	45.978436
"1404256"	61.348204	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H+2Na"	46.985712
"1437467"	184.071646	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H+HCOOH"	47.012746
"231907"	165.08114	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+3H2O+2H"	56.04448
"1520330"	198.12369	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+IsoProp+H"	61.06479
"420016"	168.035088	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+Na+K"	61.952376
"777734"	236.564538	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+Na+K"	61.952376
"1675158"	99.505638	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Na+K"	61.952376
"256209"	338.133568	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+ACN+Na"	64.015768
"1230373"	201.074668	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+ACN+Na"	64.015768
"1716710"	201.098193	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+NH4+HCOOH"	64.039293
"1180968"	68.675518	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+3Na"	68.967654
"1650980"	206.053588	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Na+HCOOH"	68.994688
"158327"	351.03684	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+2K-H"	76.91904
"598494"	488.09574	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+2K-H"	76.91904
"1085193"	213.97794	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2K-H"	76.91904
"143713"	176.022058	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"2M+2K"	77.926316
"582665"	244.551508	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"3M+2K"	77.926316
"1070698"	107.492608	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2K"	77.926316
"1102817"	215.992492	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2K+H"	78.933592
"1335801"	216.080107	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+DMSO+H"	79.021207
"1011755"	220.119276	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2ACN+H"	83.060376
"1530976"	221.112908	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+IsoProp+Na+H"	84.054008
"995239"	110.563276	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+2ACN+2H"	84.067652
"1601166"	222.027528	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+K+HCOOH"	84.968628
"1429625"	252.059038	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+H+CF3COOH"	115.000138
"1156627"	131.076551	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+3ACN+2H"	125.094202
"1705086"	269.085585	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+NH4+CF3COOH"	132.026685
"1646204"	274.04098	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+Na+CF3COOH"	136.98208
"1580760"	290.01492	"C07054"	"Isoniazid"	"C6H7N3O"	"137.0589"	"M+K+CF3COOH"	152.95602
"802377"	353.2593	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M"	0
"981377"	334.24091	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-H2O-H"	-19.01839
"64153"	234.498924	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M-3H"	-3.021828
"508089"	352.252024	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M-3H"	-3.021828
"885891"	116.745824	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-3H"	-3.021828
"8841"	352.252024	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M-2H"	-2.014552
"444027"	528.881674	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M-2H"	-2.014552
"824018"	175.622374	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-2H"	-2.014552
"79632"	705.511324	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M-H"	-1.007276
"529035"	1058.770624	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M-H"	-1.007276
"897723"	352.252024	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-H"	-1.007276
"52462"	722.537871	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M-2H+NH4"	16.019271
"493116"	1075.797171	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M-2H+NH4"	16.019271
"865816"	369.278571	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-2H+NH4"	16.019271
"33353"	727.493266	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M-2H+Na"	20.974666
"479474"	1080.752566	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M-2H+Na"	20.974666
"848972"	374.233966	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-2H+Na"	20.974666
"1620982"	374.233966	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Na-2H"	20.974666
"101160"	370.240363	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M-H+Cl"	33.962126
"537439"	546.870013	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M-H+Cl"	33.962126
"929126"	193.610713	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-H+Cl"	33.962126
"268166"	741.488002	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+Cl"	34.969402
"661558"	1094.747302	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+Cl"	34.969402
"1276150"	388.228702	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Cl"	34.969402
"17979"	743.467206	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M-2H+K"	36.948606
"457173"	1096.726506	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M-2H+K"	36.948606
"834248"	390.207906	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-2H+K"	36.948606
"1556278"	390.207906	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+K-2H"	36.948606
"943798"	398.257494	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-H+HCOOH"	44.998194
"363473"	751.516801	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+HCOOH-H"	44.998201
"348087"	765.532451	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+Hac-H"	59.013851
"1494003"	412.273151	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Hac-H"	59.013851
"960813"	420.239451	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-H+NaCOOH"	66.980151
"113004"	388.228702	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+2Cl"	69.938804
"552929"	564.858352	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+2Cl"	69.938804
"1023551"	211.599052	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2Cl"	69.938804
"1242153"	432.178185	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Br"	78.918885
"1305946"	434.234172	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Cl+HCOOH"	80.974872
"1320037"	456.216129	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Cl+NaCOOH"	102.956829
"913774"	466.244886	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M-H+CF3COOH"	112.985586
"1297409"	502.221564	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Cl+CF3COOH"	148.962264
"1371197"	318.246624	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H-2H2O"	-35.012676
"1385779"	336.2566	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H-H2O"	-17.0027
"284369"	707.525876	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+H"	1.007276
"675858"	1060.785176	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+H"	1.007276
"1356057"	354.266576	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H"	1.007276
"126258"	354.266576	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+2H"	2.014552
"566436"	530.896226	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+2H"	2.014552
"1037253"	177.636926	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2H"	2.014552
"204544"	236.513476	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+3H"	3.021828
"644314"	354.266576	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+3H"	3.021828
"1163983"	118.760376	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+3H"	3.021828
"424451"	724.552423	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+NH4"	18.033823
"785931"	1077.811723	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+NH4"	18.033823
"1687863"	371.293123	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+NH4"	18.033823
"342708"	362.7798495	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+H+NH4"	19.041099
"736958"	539.4094995	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+H+NH4"	19.041099
"1489683"	186.1501995	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H+NH4"	19.041099
"403258"	729.507818	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+Na"	22.989218
"764257"	1082.767118	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+Na"	22.989218
"1615638"	376.248518	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Na"	22.989218
"324580"	365.257547	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+H+Na"	23.996494
"711535"	541.887197	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+H+Na"	23.996494
"1471916"	188.627897	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H+Na"	23.996494
"1062976"	126.08769	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2H+Na"	25.00377
"1267936"	386.292786	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+CH3OH+H"	33.033486
"386513"	745.481758	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+K"	38.963158
"739249"	1098.741058	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+K"	38.963158
"1546284"	392.222458	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+K"	38.963158
"300177"	373.244517	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+H+K"	39.970434
"692597"	549.874167	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+H+K"	39.970434
"1450064"	196.614867	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H+K"	39.970434
"239395"	748.552426	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+ACN+H"	42.033826
"1216479"	395.293126	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+ACN+H"	42.033826
"1198904"	198.150201	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+ACN+2H"	43.041102
"193961"	751.48976	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+2Na-H"	44.97116
"628652"	1104.74906	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+2Na-H"	44.97116
"1131585"	398.23046	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2Na-H"	44.97116
"177407"	376.248518	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+2Na"	45.978436
"618063"	552.878168	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+2Na"	45.978436
"1127039"	199.618868	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2Na"	45.978436
"1405096"	133.415004	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H+2Na"	46.985712
"1437213"	400.272046	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H+HCOOH"	47.012746
"234203"	381.28154	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+3H2O+2H"	56.04448
"1519347"	414.32409	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+IsoProp+H"	61.06479
"419033"	384.235488	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+Na+K"	61.952376
"780029"	560.865138	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+Na+K"	61.952376
"1677454"	207.605838	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Na+K"	61.952376
"256318"	770.534368	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+ACN+Na"	64.015768
"1229025"	417.275068	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+ACN+Na"	64.015768
"1715725"	417.298593	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+NH4+HCOOH"	64.039293
"1179253"	140.742318	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+3Na"	68.967654
"1650483"	422.253988	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Na+HCOOH"	68.994688
"157179"	783.43764	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+2K-H"	76.91904
"597877"	1136.69694	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+2K-H"	76.91904
"1084327"	430.17834	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2K-H"	76.91904
"143821"	392.222458	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"2M+2K"	77.926316
"581926"	568.852108	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"3M+2K"	77.926316
"1068594"	215.592808	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2K"	77.926316
"1101469"	432.192892	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2K+H"	78.933592
"1336402"	432.280507	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+DMSO+H"	79.021207
"1011865"	436.319676	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2ACN+H"	83.060376
"1534365"	437.313308	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+IsoProp+Na+H"	84.054008
"996442"	218.663476	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+2ACN+2H"	84.067652
"1598602"	438.227928	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+K+HCOOH"	84.968628
"1429817"	468.259438	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+H+CF3COOH"	115.000138
"1157831"	239.176751	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+3ACN+2H"	125.094202
"1705196"	485.285985	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+NH4+CF3COOH"	132.026685
"1646314"	490.24138	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+Na+CF3COOH"	136.98208
"1580870"	506.21532	"C07055"	"Isopropamide"	"C23H33N2O"	"353.2593"	"M+K+CF3COOH"	152.95602
"801838"	211.1208	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M"	0
"982580"	192.10241	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-H2O-H"	-19.01839
"71921"	139.739924	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M-3H"	-3.021828
"509293"	210.113524	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M-3H"	-3.021828
"886001"	69.366324	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-3H"	-3.021828
"6767"	210.113524	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H"	-2.014552
"443043"	315.673924	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H"	-2.014552
"820848"	104.553124	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-2H"	-2.014552
"83025"	421.234324	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M-H"	-1.007276
"528054"	632.355124	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M-H"	-1.007276
"898198"	210.113524	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-H"	-1.007276
"51480"	438.260871	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+NH4"	16.019271
"495415"	649.381671	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+NH4"	16.019271
"866655"	227.140071	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-2H+NH4"	16.019271
"36743"	443.216266	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+Na"	20.974666
"476304"	654.337066	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+Na"	20.974666
"849731"	232.095466	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-2H+Na"	20.974666
"1620000"	232.095466	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Na-2H"	20.974666
"97991"	228.101863	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M-H+Cl"	33.962126
"540831"	333.662263	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M-H+Cl"	33.962126
"928873"	122.541463	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-H+Cl"	33.962126
"268888"	457.211002	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+Cl"	34.969402
"662034"	668.331802	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+Cl"	34.969402
"1275531"	246.090202	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl"	34.969402
"18090"	459.190206	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+K"	36.948606
"458015"	670.311006	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+K"	36.948606
"834720"	248.069406	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-2H+K"	36.948606
"1556389"	248.069406	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+K-2H"	36.948606
"942937"	256.118994	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-H+HCOOH"	44.998194
"361883"	467.239801	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+HCOOH-H"	44.998201
"346741"	481.255451	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+Hac-H"	59.013851
"1496667"	270.134651	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Hac-H"	59.013851
"960922"	278.100951	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-H+NaCOOH"	66.980151
"113115"	246.090202	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+2Cl"	69.938804
"553770"	351.650602	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+2Cl"	69.938804
"1029129"	140.529802	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2Cl"	69.938804
"1241349"	290.039685	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Br"	78.918885
"1304963"	292.095672	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+HCOOH"	80.974872
"1319951"	314.077629	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+NaCOOH"	102.956829
"915344"	324.106386	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M-H+CF3COOH"	112.985586
"1298613"	360.083064	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+CF3COOH"	148.962264
"1370215"	176.108124	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H-2H2O"	-35.012676
"1385525"	194.1181	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H-H2O"	-17.0027
"284480"	423.248876	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+H"	1.007276
"676536"	634.369676	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+H"	1.007276
"1355074"	212.128076	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H"	1.007276
"126134"	212.128076	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+2H"	2.014552
"566057"	317.688476	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+2H"	2.014552
"1037890"	106.567676	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2H"	2.014552
"204370"	141.754476	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+3H"	3.021828
"648155"	212.128076	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+3H"	3.021828
"1163849"	71.380876	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+3H"	3.021828
"424683"	440.275423	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+NH4"	18.033823
"785719"	651.396223	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+NH4"	18.033823
"1686880"	229.154623	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+NH4"	18.033823
"336253"	220.6413495	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+H+NH4"	19.041099
"734149"	326.2017495	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+H+NH4"	19.041099
"1487970"	115.0809495	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H+NH4"	19.041099
"404461"	445.230818	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+Na"	22.989218
"765094"	656.351618	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+Na"	22.989218
"1613560"	234.110018	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Na"	22.989218
"326755"	223.119047	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+H+Na"	23.996494
"716019"	328.679447	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+H+Na"	23.996494
"1468746"	117.558647	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H+Na"	23.996494
"1063085"	78.70819	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2H+Na"	25.00377
"1266951"	244.154286	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+CH3OH+H"	33.033486
"385529"	461.204758	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+K"	38.963158
"741060"	672.325558	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+K"	38.963158
"1540017"	250.083958	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+K"	38.963158
"299195"	231.106017	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+H+K"	39.970434
"691417"	336.666417	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+H+K"	39.970434
"1448717"	125.545617	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H+K"	39.970434
"239504"	464.275426	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+ACN+H"	42.033826
"1216589"	253.154626	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+H"	42.033826
"1198651"	127.080951	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+2H"	43.041102
"195530"	467.21276	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+2Na-H"	44.97116
"628654"	678.33356	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+2Na-H"	44.97116
"1131622"	256.09196	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2Na-H"	44.97116
"176419"	234.110018	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+2Na"	45.978436
"615257"	339.670418	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+2Na"	45.978436
"1124962"	128.549618	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2Na"	45.978436
"1408487"	86.035504	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H+2Na"	46.985712
"1440603"	258.133546	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H+HCOOH"	47.012746
"229941"	239.14304	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+3H2O+2H"	56.04448
"1517270"	272.18559	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+H"	61.06479
"419143"	242.096988	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+Na+K"	61.952376
"774671"	347.657388	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+Na+K"	61.952376
"1671002"	136.536588	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Na+K"	61.952376
"253146"	486.257368	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+ACN+Na"	64.015768
"1229865"	275.136568	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+Na"	64.015768
"1712917"	275.160093	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+NH4+HCOOH"	64.039293
"1178664"	93.362818	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+3Na"	68.967654
"1649892"	280.115488	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Na+HCOOH"	68.994688
"157402"	499.16064	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+2K-H"	76.91904
"597169"	710.28144	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+2K-H"	76.91904
"1084482"	288.03984	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2K-H"	76.91904
"142588"	250.083958	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"2M+2K"	77.926316
"581945"	355.644358	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"3M+2K"	77.926316
"1068969"	144.523558	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2K"	77.926316
"1100479"	290.054392	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2K+H"	78.933592
"1335903"	290.142007	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+DMSO+H"	79.021207
"1015256"	294.181176	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2ACN+H"	83.060376
"1534475"	295.174808	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+Na+H"	84.054008
"997645"	147.594226	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+2ACN+2H"	84.067652
"1599805"	296.089428	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+K+HCOOH"	84.968628
"1429440"	326.120938	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+H+CF3COOH"	115.000138
"1158672"	168.107501	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+3ACN+2H"	125.094202
"1705306"	343.147485	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+NH4+CF3COOH"	132.026685
"1645331"	348.10288	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+Na+CF3COOH"	136.98208
"1580980"	364.07682	"C07056"	"Isoproterenol;Isoprenaline"	"C11H17NO3"	"211.1208"	"M+K+CF3COOH"	152.95602
"808064"	300.2089	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M"	0
"981597"	281.19051	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"70932"	199.131990666667	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"510496"	299.201624	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"888297"	99.0623573333333	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"10156"	299.201624	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"444246"	449.306074	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"823146"	149.097174	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"86416"	599.410524	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"529256"	899.619424	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"901590"	299.201624	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"55236"	616.437071	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"496619"	916.645971	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"870413"	316.228171	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"40135"	621.392466	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"481881"	921.601366	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"850207"	321.183566	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1620839"	321.183566	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"97372"	317.189963	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"543128"	467.294413	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"929711"	167.085513	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"268635"	635.387202	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"662150"	935.596102	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1275646"	335.178302	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"19659"	637.366406	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"456910"	937.575306	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"835564"	337.157506	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1558325"	337.157506	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"943655"	345.207094	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"362601"	645.416001	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"351225"	659.431651	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1497871"	359.222751	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"960668"	367.189051	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"114317"	335.178302	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"552053"	485.282752	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1025228"	185.073852	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1242985"	379.127785	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1307990"	381.183772	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1320138"	403.165729	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"916547"	413.194486	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1296536"	449.171164	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1370325"	265.196224	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1385634"	283.2062	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"287506"	601.425076	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"677011"	901.633976	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1357371"	301.216176	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"126124"	301.216176	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"565829"	451.320626	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1038250"	151.111726	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"204691"	201.146542666667	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"649359"	301.216176	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1163026"	101.076909333333	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"424427"	618.451623	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"785745"	918.660523	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1684804"	318.242723	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"336363"	309.7294495	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"737537"	459.8338995	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1491359"	159.6249995	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"403478"	623.407018	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"764475"	923.615918	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1614764"	323.198118	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"325893"	312.207147	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"713942"	462.311597	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1466669"	162.102697	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1064288"	108.404223333333	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1269247"	333.242386	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"385637"	639.380958	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"740440"	939.589858	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1541036"	339.172058	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"298706"	320.194117	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"691726"	470.298567	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1447004"	170.089667	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"241802"	642.451626	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1214513"	342.242726	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1199852"	171.625001	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"193818"	645.38896	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"629118"	945.59786	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1131613"	345.18006	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"175436"	323.198118	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"616093"	473.302568	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1121792"	173.093668	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1407504"	115.731537333333	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1438527"	347.221646	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"232237"	328.23114	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1518473"	361.27369	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"419253"	331.185088	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"774417"	481.289538	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1675487"	181.080638	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"256171"	664.433568	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1231069"	364.224668	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1714487"	364.248193	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1179475"	123.058851333333	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1650502"	369.203588	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"157175"	677.33684	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"597140"	977.54574	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1084198"	377.12794	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"141566"	339.172058	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"581732"	489.276508	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1068500"	189.067608	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1100023"	379.142492	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1335805"	379.230107	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1014273"	383.269276	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1534586"	384.262908	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"997755"	192.138276	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1601008"	385.177528	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1428858"	415.209038	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1159146"	212.651551	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1705416"	432.235585	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1646534"	437.19098	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1581090"	453.16492	"C07058"	"13-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"801735"	255.0895	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M"	0
"981707"	236.07111	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-H2O-H"	-19.01839
"65575"	169.052390666667	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M-3H"	-3.021828
"507327"	254.082224	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M-3H"	-3.021828
"884034"	84.0225573333333	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-3H"	-3.021828
"9173"	254.082224	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M-2H"	-2.014552
"443263"	381.626974	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M-2H"	-2.014552
"824349"	126.537474	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-2H"	-2.014552
"84337"	509.171724	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M-H"	-1.007276
"527179"	764.261224	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M-H"	-1.007276
"900971"	254.082224	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-H"	-1.007276
"53888"	526.198271	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M-2H+NH4"	16.019271
"497822"	781.287771	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M-2H+NH4"	16.019271
"871250"	271.108771	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-2H+NH4"	16.019271
"38058"	531.153666	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M-2H+Na"	20.974666
"477618"	786.243166	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M-2H+Na"	20.974666
"850558"	276.064166	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-2H+Na"	20.974666
"1619126"	276.064166	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Na-2H"	20.974666
"100398"	272.070563	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M-H+Cl"	33.962126
"541051"	399.615313	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M-H+Cl"	33.962126
"928729"	144.525813	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-H+Cl"	33.962126
"268745"	545.148402	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+Cl"	34.969402
"662624"	800.237902	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+Cl"	34.969402
"1274539"	290.058902	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Cl"	34.969402
"19404"	547.127606	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M-2H+K"	36.948606
"460057"	802.217106	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M-2H+K"	36.948606
"836766"	292.038106	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-2H+K"	36.948606
"1556611"	292.038106	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+K-2H"	36.948606
"943766"	300.087694	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-H+HCOOH"	44.998194
"361979"	555.177201	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+HCOOH-H"	44.998201
"350242"	569.192851	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+Hac-H"	59.013851
"1495794"	314.103351	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Hac-H"	59.013851
"961144"	322.069651	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-H+NaCOOH"	66.980151
"113333"	290.058902	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+2Cl"	69.938804
"551436"	417.603652	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+2Cl"	69.938804
"1022787"	162.514152	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2Cl"	69.938804
"1243460"	334.008385	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Br"	78.918885
"1309193"	336.064372	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Cl+HCOOH"	80.974872
"1319950"	358.046329	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Cl+NaCOOH"	102.956829
"915564"	368.075086	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M-H+CF3COOH"	112.985586
"1295553"	404.051764	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Cl+CF3COOH"	148.962264
"1370435"	220.076824	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H-2H2O"	-35.012676
"1385744"	238.0868	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H-H2O"	-17.0027
"286523"	511.186276	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+H"	1.007276
"675711"	766.275776	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+H"	1.007276
"1357481"	256.096776	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H"	1.007276
"125992"	256.096776	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+2H"	2.014552
"565832"	383.641526	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+2H"	2.014552
"1037997"	128.552026	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2H"	2.014552
"209178"	171.066942666667	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+3H"	3.021828
"651656"	256.096776	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+3H"	3.021828
"1162933"	86.0371093333333	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+3H"	3.021828
"424377"	528.212823	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+NH4"	18.033823
"785983"	783.302323	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+NH4"	18.033823
"1684914"	273.123323	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+NH4"	18.033823
"335380"	264.6100495	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+H+NH4"	19.041099
"737648"	392.1547995	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+H+NH4"	19.041099
"1490374"	137.0652995	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H+NH4"	19.041099
"398118"	533.168218	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+Na"	22.989218
"756924"	788.257718	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+Na"	22.989218
"1617060"	278.078718	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Na"	22.989218
"324910"	267.087747	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+H+Na"	23.996494
"711865"	394.632497	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+H+Na"	23.996494
"1466779"	139.542997	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H+Na"	23.996494
"1065492"	93.3644233333333	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2H+Na"	25.00377
"1268264"	288.122986	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+CH3OH+H"	33.033486
"386841"	549.142158	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+K"	38.963158
"740550"	804.231658	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+K"	38.963158
"1544424"	294.052658	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+K"	38.963158
"298842"	275.074717	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+H+K"	39.970434
"691834"	402.619467	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+H+K"	39.970434
"1450030"	147.529967	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H+K"	39.970434
"236808"	552.212826	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+ACN+H"	42.033826
"1215714"	297.123326	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+ACN+H"	42.033826
"1200693"	149.065301	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+ACN+2H"	43.041102
"194658"	555.15016	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+2Na-H"	44.97116
"628866"	810.23966	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+2Na-H"	44.97116
"1131841"	300.06066	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2Na-H"	44.97116
"175547"	278.078718	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+2Na"	45.978436
"616205"	405.623468	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+2Na"	45.978436
"1121902"	150.533968	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2Na"	45.978436
"1407614"	100.691737333333	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H+2Na"	46.985712
"1438637"	302.102246	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H+HCOOH"	47.012746
"231617"	283.11174	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+3H2O+2H"	56.04448
"1518583"	316.15429	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+IsoProp+H"	61.06479
"413896"	286.065688	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+Na+K"	61.952376
"777079"	413.610438	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+Na+K"	61.952376
"1676690"	158.520938	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Na+K"	61.952376
"256651"	574.194768	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+ACN+Na"	64.015768
"1229356"	319.105268	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+ACN+Na"	64.015768
"1713868"	319.128793	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+NH4+HCOOH"	64.039293
"1179949"	108.019051333333	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+3Na"	68.967654
"1650936"	324.084188	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Na+HCOOH"	68.994688
"157744"	587.09804	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+2K-H"	76.91904
"597466"	842.18754	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+2K-H"	76.91904
"1085019"	332.00854	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2K-H"	76.91904
"142564"	294.052658	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"2M+2K"	77.926316
"582246"	421.597408	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"3M+2K"	77.926316
"1068512"	166.507908	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2K"	77.926316
"1100012"	334.023092	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2K+H"	78.933592
"1335626"	334.110707	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+DMSO+H"	79.021207
"1015476"	338.149876	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2ACN+H"	83.060376
"1535789"	339.143508	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+IsoProp+Na+H"	84.054008
"1000051"	169.578576	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+2ACN+2H"	84.067652
"1601727"	340.058128	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+K+HCOOH"	84.968628
"1428241"	370.089638	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+H+CF3COOH"	115.000138
"1154883"	190.091851	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+3ACN+2H"	125.094202
"1707714"	387.116185	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+NH4+CF3COOH"	132.026685
"1646644"	392.07158	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+Na+CF3COOH"	136.98208
"1581200"	408.04552	"C07062"	"Ketorolac"	"C15H13NO3"	"255.0895"	"M+K+CF3COOH"	152.95602
"802817"	328.1787	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M"	0
"982910"	309.16031	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-H2O-H"	-19.01839
"65685"	217.778524	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M-3H"	-3.021828
"503073"	327.171424	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M-3H"	-3.021828
"883048"	108.385624	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-3H"	-3.021828
"10375"	327.171424	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M-2H"	-2.014552
"443373"	491.260774	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M-2H"	-2.014552
"821174"	163.082074	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-2H"	-2.014552
"82262"	655.350124	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M-H"	-1.007276
"528382"	983.528824	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M-H"	-1.007276
"901810"	327.171424	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-H"	-1.007276
"56185"	672.376671	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M-2H+NH4"	16.019271
"499025"	1000.555371	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M-2H+NH4"	16.019271
"869174"	344.197971	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-2H+NH4"	16.019271
"38168"	677.332066	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M-2H+Na"	20.974666
"476634"	1005.510766	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M-2H+Na"	20.974666
"849333"	349.153366	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-2H+Na"	20.974666
"1623609"	349.153366	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Na-2H"	20.974666
"103788"	345.159763	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M-H+Cl"	33.962126
"538974"	509.249113	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M-H+Cl"	33.962126
"931755"	181.070413	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-H+Cl"	33.962126
"268975"	691.326802	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+Cl"	34.969402
"662369"	1019.505502	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+Cl"	34.969402
"1274773"	363.148102	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Cl"	34.969402
"19878"	693.306006	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M-2H+K"	36.948606
"460165"	1021.484706	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M-2H+K"	36.948606
"835782"	365.127306	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-2H+K"	36.948606
"1558542"	365.127306	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+K-2H"	36.948606
"943873"	373.176894	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-H+HCOOH"	44.998194
"362091"	701.355601	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+HCOOH-H"	44.998201
"351444"	715.371251	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+Hac-H"	59.013851
"1496997"	387.192551	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Hac-H"	59.013851
"960887"	395.158851	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-H+NaCOOH"	66.980151
"113443"	363.148102	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+2Cl"	69.938804
"551182"	527.237452	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+2Cl"	69.938804
"1022651"	199.058752	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2Cl"	69.938804
"1241745"	407.097585	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Br"	78.918885
"1309303"	409.153572	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Cl+HCOOH"	80.974872
"1320475"	431.135529	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Cl+NaCOOH"	102.956829
"915674"	441.164286	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M-H+CF3COOH"	112.985586
"1298943"	477.140964	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Cl+CF3COOH"	148.962264
"1372732"	293.166024	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H-2H2O"	-35.012676
"1383057"	311.176	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H-H2O"	-17.0027
"284445"	657.364676	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+H"	1.007276
"676867"	985.543376	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+H"	1.007276
"1357591"	329.185976	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H"	1.007276
"126465"	329.185976	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+2H"	2.014552
"566386"	493.275326	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+2H"	2.014552
"1039200"	165.096626	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2H"	2.014552
"208924"	219.793076	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+3H"	3.021828
"650673"	329.185976	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+3H"	3.021828
"1163126"	110.400176	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+3H"	3.021828
"424327"	674.391223	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+NH4"	18.033823
"785813"	1002.569923	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+NH4"	18.033823
"1688304"	346.212523	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+NH4"	18.033823
"337677"	337.6992495	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+H+NH4"	19.041099
"732289"	501.7885995	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+H+NH4"	19.041099
"1490484"	173.6098995	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H+NH4"	19.041099
"398228"	679.346618	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+Na"	22.989218
"759221"	1007.525318	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+Na"	22.989218
"1606234"	351.167918	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Na"	22.989218
"318458"	340.176947	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+H+Na"	23.996494
"711970"	504.266297	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+H+Na"	23.996494
"1463608"	176.087597	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H+Na"	23.996494
"1059041"	117.72749	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2H+Na"	25.00377
"1262906"	361.212186	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+CH3OH+H"	33.033486
"389135"	695.320558	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+K"	38.963158
"744668"	1023.499258	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+K"	38.963158
"1545626"	367.141858	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+K"	38.963158
"298952"	348.163917	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+H+K"	39.970434
"691658"	512.253267	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+H+K"	39.970434
"1451234"	184.074567	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H+K"	39.970434
"238742"	698.391226	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+ACN+H"	42.033826
"1212908"	370.212526	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+ACN+H"	42.033826
"1201896"	185.609901	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+ACN+2H"	43.041102
"196954"	701.32856	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+2Na-H"	44.97116
"629217"	1029.50726	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+2Na-H"	44.97116
"1131870"	373.14986	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2Na-H"	44.97116
"174079"	351.167918	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+2Na"	45.978436
"615586"	515.257268	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+2Na"	45.978436
"1125292"	187.078568	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2Na"	45.978436
"1407724"	125.054804	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H+2Na"	46.985712
"1437652"	375.191446	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H+HCOOH"	47.012746
"234522"	356.20094	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+3H2O+2H"	56.04448
"1521973"	389.24349	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+IsoProp+H"	61.06479
"414006"	359.154888	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+Na+K"	61.952376
"783749"	523.244238	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+Na+K"	61.952376
"1676800"	195.065538	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Na+K"	61.952376
"256761"	720.373168	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+ACN+Na"	64.015768
"1228741"	392.194468	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+ACN+Na"	64.015768
"1715801"	392.217993	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+NH4+HCOOH"	64.039293
"1182248"	132.382118	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+3Na"	68.967654
"1652504"	397.173388	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Na+HCOOH"	68.994688
"158025"	733.27644	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+2K-H"	76.91904
"597698"	1061.45514	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+2K-H"	76.91904
"1084559"	405.09774	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2K-H"	76.91904
"141745"	367.141858	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"2M+2K"	77.926316
"581992"	531.231208	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"3M+2K"	77.926316
"1069550"	203.052508	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2K"	77.926316
"1100567"	407.112292	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2K+H"	78.933592
"1336352"	407.199907	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+DMSO+H"	79.021207
"1017773"	411.239076	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2ACN+H"	83.060376
"1535899"	412.232708	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+IsoProp+Na+H"	84.054008
"1000162"	206.123176	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+2ACN+2H"	84.067652
"1602080"	413.147328	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+K+HCOOH"	84.968628
"1429445"	443.178838	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+H+CF3COOH"	115.000138
"1157180"	226.636451	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+3ACN+2H"	125.094202
"1708917"	460.205385	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+NH4+CF3COOH"	132.026685
"1648577"	465.16078	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+Na+CF3COOH"	136.98208
"1581310"	481.13472	"C07063"	"Labetalol"	"C19H24N2O3"	"328.1787"	"M+K+CF3COOH"	152.95602
"802927"	342.1162	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M"	0
"981927"	323.09781	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"65066"	227.070190666667	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"504867"	341.108924	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"885344"	113.031457333333	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"9392"	341.108924	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443483"	512.167024	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"820555"	170.050824	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"82733"	683.225124	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"528492"	1025.341324	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"902284"	341.108924	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"49368"	700.251671	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"494762"	1042.367871	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"868191"	358.135471	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"35362"	705.207066	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"475651"	1047.323266	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"850291"	363.090866	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1619827"	363.090866	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"98430"	359.097263	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"537259"	530.155363	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"928462"	188.039163	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"268356"	719.201802	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"661506"	1061.318002	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1273664"	377.085602	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"17435"	721.181006	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"457725"	1063.297206	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"833465"	379.064806	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1555979"	379.064806	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"944352"	387.114394	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"369858"	729.230601	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"351556"	743.246251	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1498201"	401.130051	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"962458"	409.096351	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"116833"	377.085602	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"557491"	548.143702	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1025197"	206.027502	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1242221"	421.035085	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1309777"	423.091072	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1321808"	445.073029	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"916148"	455.101786	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1301970"	491.078464	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1376123"	307.103524	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1387059"	325.1135	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"293303"	685.239676	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"679164"	1027.355876	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1357701"	343.123476	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"129492"	343.123476	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"570146"	514.181576	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1042228"	172.065376	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"209034"	229.084742666667	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"651877"	343.123476	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1166721"	115.046009333333	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"428898"	702.266223	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"786006"	1044.382423	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1687322"	360.150023	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"335604"	351.6367495	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"733493"	522.6948495	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1488407"	180.5786495	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"398338"	707.221618	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"757145"	1049.337818	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1606347"	365.105418	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"320757"	354.114447	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"708803"	525.172547	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1465905"	183.056347	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1060245"	122.373323333333	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1271767"	375.149686	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"387059"	723.195558	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"744778"	1065.311758	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1545736"	381.079358	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"301090"	362.101417	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"697521"	533.159517	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1450248"	191.043317	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"236903"	726.266226	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1211925"	384.150026	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1199818"	192.578651	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"195241"	729.20356	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"628883"	1071.31976	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1131739"	387.08736	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"175402"	365.105418	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"616789"	536.163518	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1122122"	194.047318	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1405647"	129.700637333333	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1433751"	389.128946	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"228552"	370.13844	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1513697"	403.18099	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"415209"	373.092388	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"783858"	544.150488	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1673630"	202.034288	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"254684"	748.248168	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1228487"	406.131968	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1714816"	406.155493	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1181994"	137.027951333333	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1650701"	411.110888	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"158503"	761.15144	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"598298"	1103.26764	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1085487"	419.03524	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"142303"	381.079358	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"582469"	552.137458	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1068930"	210.021258	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1100560"	421.049792	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1335852"	421.137407	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1011322"	425.176576	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1536981"	426.170208	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1005254"	213.091926	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1601705"	427.084828	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1428825"	457.116338	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1160813"	233.605201	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1711213"	474.142885	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1649052"	479.09828	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1581420"	495.07222	"C07064"	"Lactulose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"801944"	229.0521	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M"	0
"982037"	210.03371	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-H2O-H"	-19.01839
"65905"	151.694124	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M-3H"	-3.021828
"503561"	228.044824	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M-3H"	-3.021828
"885454"	75.343424	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-3H"	-3.021828
"10595"	228.044824	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M-2H"	-2.014552
"442500"	342.570874	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M-2H"	-2.014552
"820666"	113.518774	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-2H"	-2.014552
"83573"	457.096924	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M-H"	-1.007276
"529696"	686.149024	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M-H"	-1.007276
"903124"	228.044824	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-H"	-1.007276
"50209"	474.123471	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M-2H+NH4"	16.019271
"495966"	703.175571	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M-2H+NH4"	16.019271
"869395"	245.071371	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-2H+NH4"	16.019271
"40575"	479.078866	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M-2H+Na"	20.974666
"475761"	708.130966	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M-2H+Na"	20.974666
"849555"	250.026766	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-2H+Na"	20.974666
"1618578"	250.026766	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Na-2H"	20.974666
"94371"	246.033163	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M-H+Cl"	33.962126
"535545"	360.559213	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M-H+Cl"	33.962126
"928087"	131.507113	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-H+Cl"	33.962126
"267169"	493.073602	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+Cl"	34.969402
"660197"	722.125702	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+Cl"	34.969402
"1274994"	264.021502	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Cl"	34.969402
"16008"	495.052806	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M-2H+K"	36.948606
"456017"	724.104906	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M-2H+K"	36.948606
"833090"	266.000706	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-2H+K"	36.948606
"1556579"	266.000706	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+K-2H"	36.948606
"944220"	274.050294	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-H+HCOOH"	44.998194
"368876"	503.102401	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+HCOOH-H"	44.998201
"349480"	517.118051	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+Hac-H"	59.013851
"1493938"	288.065951	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Hac-H"	59.013851
"960016"	296.032251	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-H+NaCOOH"	66.980151
"113663"	264.021502	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+2Cl"	69.938804
"553227"	378.547552	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+2Cl"	69.938804
"1021455"	149.495452	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2Cl"	69.938804
"1242689"	307.970985	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Br"	78.918885
"1306242"	310.026972	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Cl+HCOOH"	80.974872
"1323738"	332.008929	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Cl+NaCOOH"	102.956829
"913703"	342.037686	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M-H+CF3COOH"	112.985586
"1290409"	378.014364	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Cl+CF3COOH"	148.962264
"1370030"	194.039424	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H-2H2O"	-35.012676
"1384974"	212.0494	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H-H2O"	-17.0027
"286853"	459.111476	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+H"	1.007276
"679274"	688.163576	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+H"	1.007276
"1353437"	230.059376	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H"	1.007276
"125757"	230.059376	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+2H"	2.014552
"566246"	344.585426	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+2H"	2.014552
"1041245"	115.533326	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2H"	2.014552
"210238"	153.708676	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+3H"	3.021828
"649802"	230.059376	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+3H"	3.021828
"1164644"	77.357976	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+3H"	3.021828
"427916"	476.138023	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+NH4"	18.033823
"787089"	705.190123	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+NH4"	18.033823
"1687430"	247.085923	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+NH4"	18.033823
"334618"	238.5726495	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+H+NH4"	19.041099
"726312"	353.0986995	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+H+NH4"	19.041099
"1483049"	124.0465995	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H+NH4"	19.041099
"397354"	481.093418	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+Na"	22.989218
"757254"	710.145518	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+Na"	22.989218
"1606454"	252.041318	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Na"	22.989218
"315154"	241.050347	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+H+Na"	23.996494
"708302"	355.576397	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+H+Na"	23.996494
"1462731"	126.524297	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H+Na"	23.996494
"1058168"	84.68529	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2H+Na"	25.00377
"1270057"	262.085586	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+CH3OH+H"	33.033486
"386076"	497.067358	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+K"	38.963158
"741972"	726.119458	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+K"	38.963158
"1541471"	268.015258	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+K"	38.963158
"303387"	249.037317	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+H+K"	39.970434
"694715"	363.563367	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+H+K"	39.970434
"1451451"	134.511267	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H+K"	39.970434
"236283"	500.138026	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+ACN+H"	42.033826
"1210367"	271.085926	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+ACN+H"	42.033826
"1198835"	136.046601	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+ACN+2H"	43.041102
"193893"	503.07536	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+2Na-H"	44.97116
"628565"	732.12746	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+2Na-H"	44.97116
"1131387"	274.02326	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2Na-H"	44.97116
"173449"	252.041318	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+2Na"	45.978436
"615806"	366.567368	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+2Na"	45.978436
"1122232"	137.515268	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2Na"	45.978436
"1405757"	92.012604	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H+2Na"	46.985712
"1433862"	276.064846	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H+HCOOH"	47.012746
"226476"	257.07434	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+3H2O+2H"	56.04448
"1512714"	290.11689	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+IsoProp+H"	61.06479
"414226"	260.028288	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+Na+K"	61.952376
"783968"	374.554338	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+Na+K"	61.952376
"1669726"	145.502238	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Na+K"	61.952376
"254791"	522.119968	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+ACN+Na"	64.015768
"1230780"	293.067868	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+ACN+Na"	64.015768
"1713225"	293.091393	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+NH4+HCOOH"	64.039293
"1179672"	99.339918	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+3Na"	68.967654
"1650288"	298.046788	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Na+HCOOH"	68.994688
"157214"	535.02324	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+2K-H"	76.91904
"597274"	764.07534	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+2K-H"	76.91904
"1084503"	305.97114	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2K-H"	76.91904
"143148"	268.015258	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"2M+2K"	77.926316
"581975"	382.541308	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"3M+2K"	77.926316
"1069040"	153.489208	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2K"	77.926316
"1100417"	307.985692	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2K+H"	78.933592
"1335608"	308.073307	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+DMSO+H"	79.021207
"1005648"	312.112476	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2ACN+H"	83.060376
"1537212"	313.106108	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+IsoProp+Na+H"	84.054008
"1005485"	156.559876	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+2ACN+2H"	84.067652
"1601814"	314.020728	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+K+HCOOH"	84.968628
"1429300"	344.052238	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+H+CF3COOH"	115.000138
"1161044"	177.073151	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+3ACN+2H"	125.094202
"1710230"	361.078785	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+NH4+CF3COOH"	132.026685
"1649526"	366.03418	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+Na+CF3COOH"	136.98208
"1581530"	382.00812	"C07065"	"Lamivudine;3TC;23-Dideoxy-3-thiacytidine"	"C8H11N3O3S"	"229.0521"	"M+K+CF3COOH"	152.95602
"802054"	283.1936	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M"	0
"984335"	264.17521	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-H2O-H"	-19.01839
"71483"	187.788457333333	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M-3H"	-3.021828
"503509"	282.186324	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M-3H"	-3.021828
"889938"	93.3905906666667	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-3H"	-3.021828
"3048"	282.186324	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M-2H"	-2.014552
"443701"	423.783124	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M-2H"	-2.014552
"819317"	140.589524	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-2H"	-2.014552
"82587"	565.379924	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M-H"	-1.007276
"522150"	848.573524	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M-H"	-1.007276
"902140"	282.186324	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-H"	-1.007276
"53235"	582.406471	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M-2H+NH4"	16.019271
"496076"	865.600071	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M-2H+NH4"	16.019271
"872785"	299.212871	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-2H+NH4"	16.019271
"40685"	587.361866	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M-2H+Na"	20.974666
"475871"	870.555466	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M-2H+Na"	20.974666
"854039"	304.168266	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-2H+Na"	20.974666
"1619198"	304.168266	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Na-2H"	20.974666
"94798"	300.174663	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M-H+Cl"	33.962126
"537118"	441.771463	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M-H+Cl"	33.962126
"928803"	158.577863	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-H+Cl"	33.962126
"268333"	601.356602	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+Cl"	34.969402
"662333"	884.550202	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+Cl"	34.969402
"1275107"	318.163002	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Cl"	34.969402
"19850"	603.335806	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M-2H+K"	36.948606
"456856"	886.529406	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M-2H+K"	36.948606
"836117"	320.142206	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-2H+K"	36.948606
"1562886"	320.142206	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+K-2H"	36.948606
"952958"	328.191794	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-H+HCOOH"	44.998194
"371175"	611.385401	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+HCOOH-H"	44.998201
"351777"	625.401051	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+Hac-H"	59.013851
"1503526"	342.207451	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Hac-H"	59.013851
"970337"	350.173751	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-H+NaCOOH"	66.980151
"114867"	318.163002	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+2Cl"	69.938804
"557712"	459.759802	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+2Cl"	69.938804
"1024324"	176.566202	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2Cl"	69.938804
"1246087"	362.112485	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Br"	78.918885
"1314005"	364.168472	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Cl+HCOOH"	80.974872
"1329315"	386.150429	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Cl+NaCOOH"	102.956829
"917094"	396.179186	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M-H+CF3COOH"	112.985586
"1297083"	432.155864	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Cl+CF3COOH"	148.962264
"1370871"	248.180924	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H-2H2O"	-35.012676
"1385814"	266.1909	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H-H2O"	-17.0027
"286963"	567.394476	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+H"	1.007276
"680477"	850.588076	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+H"	1.007276
"1356827"	284.200876	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H"	1.007276
"129349"	284.200876	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+2H"	2.014552
"568179"	425.797676	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+2H"	2.014552
"1041357"	142.604076	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2H"	2.014552
"210349"	189.803009333333	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+3H"	3.021828
"654286"	284.200876	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+3H"	3.021828
"1168036"	95.4051426666667	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+3H"	3.021828
"431307"	584.421023	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+NH4"	18.033823
"789385"	867.614623	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+NH4"	18.033823
"1690827"	301.227423	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+NH4"	18.033823
"342387"	292.7141495	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+H+NH4"	19.041099
"729342"	434.3109495	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+H+NH4"	19.041099
"1483161"	151.1173495	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H+NH4"	19.041099
"396372"	589.376418	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+Na"	22.989218
"757365"	872.570018	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+Na"	22.989218
"1608750"	306.182818	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Na"	22.989218
"317697"	295.191847	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+H+Na"	23.996494
"710481"	436.788647	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+H+Na"	23.996494
"1466125"	153.595047	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H+Na"	23.996494
"1058278"	102.732456666667	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2H+Na"	25.00377
"1266522"	316.227086	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+CH3OH+H"	33.033486
"386189"	605.350358	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+K"	38.963158
"744997"	888.543958	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+K"	38.963158
"1544864"	322.156758	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+K"	38.963158
"302404"	303.178817	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+H+K"	39.970434
"694825"	444.775617	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+H+K"	39.970434
"1454843"	161.582017	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H+K"	39.970434
"241258"	608.421026	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+ACN+H"	42.033826
"1217248"	325.227426	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+ACN+H"	42.033826
"1198944"	163.117351	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+ACN+2H"	43.041102
"192909"	611.35836	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+2Na-H"	44.97116
"629552"	894.55196	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+2Na-H"	44.97116
"1131718"	328.16476	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2Na-H"	44.97116
"174163"	306.182818	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+2Na"	45.978436
"613728"	447.779618	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+2Na"	45.978436
"1122342"	164.586018	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2Na"	45.978436
"1405867"	110.059770666667	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H+2Na"	46.985712
"1432514"	330.206346	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H+HCOOH"	47.012746
"224400"	311.21584	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+3H2O+2H"	56.04448
"1508549"	344.25839	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+IsoProp+H"	61.06479
"409960"	314.169788	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+Na+K"	61.952376
"770589"	455.766588	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+Na+K"	61.952376
"1666057"	172.572988	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Na+K"	61.952376
"252092"	630.402968	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+ACN+Na"	64.015768
"1226055"	347.209368	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+ACN+Na"	64.015768
"1712839"	347.232893	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+NH4+HCOOH"	64.039293
"1178527"	117.387084666667	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+3Na"	68.967654
"1650026"	352.188288	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Na+HCOOH"	68.994688
"157454"	643.30624	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+2K-H"	76.91904
"597191"	926.49984	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+2K-H"	76.91904
"1084405"	360.11264	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2K-H"	76.91904
"142515"	322.156758	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"2M+2K"	77.926316
"582928"	463.753558	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"3M+2K"	77.926316
"1069020"	180.559958	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2K"	77.926316
"1101256"	362.127192	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2K+H"	78.933592
"1336427"	362.214807	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+DMSO+H"	79.021207
"1005683"	366.253976	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2ACN+H"	83.060376
"1534041"	367.247608	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+IsoProp+Na+H"	84.054008
"1004744"	183.630626	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+2ACN+2H"	84.067652
"1602046"	368.162228	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+K+HCOOH"	84.968628
"1428318"	398.193738	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+H+CF3COOH"	115.000138
"1158602"	204.143901	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+3ACN+2H"	125.094202
"1705966"	415.220285	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+NH4+CF3COOH"	132.026685
"1649148"	420.17568	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+Na+CF3COOH"	136.98208
"1581640"	436.14962	"C07069"	"Levallorphan"	"C19H25NO"	"283.1936"	"M+K+CF3COOH"	152.95602
"813102"	204.0721	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M"	0
"981166"	185.05371	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-H2O-H"	-19.01839
"66127"	135.040790666667	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M-3H"	-3.021828
"506779"	203.064824	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M-3H"	-3.021828
"888954"	67.0167573333333	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-3H"	-3.021828
"9721"	203.064824	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M-2H"	-2.014552
"443080"	305.100874	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M-2H"	-2.014552
"820520"	101.028774	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-2H"	-2.014552
"84883"	407.136924	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M-H"	-1.007276
"522260"	611.209024	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M-H"	-1.007276
"902250"	203.064824	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-H"	-1.007276
"53345"	424.163471	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M-2H+NH4"	16.019271
"491446"	628.235571	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M-2H+NH4"	16.019271
"866698"	220.091371	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-2H+NH4"	16.019271
"38608"	429.118866	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M-2H+Na"	20.974666
"474888"	633.190966	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M-2H+Na"	20.974666
"853784"	225.046766	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-2H+Na"	20.974666
"1620763"	225.046766	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Na-2H"	20.974666
"98388"	221.053163	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M-H+Cl"	33.962126
"535034"	323.089213	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M-H+Cl"	33.962126
"927583"	119.017113	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-H+Cl"	33.962126
"269300"	443.113602	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+Cl"	34.969402
"660991"	647.185702	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+Cl"	34.969402
"1274486"	239.041502	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Cl"	34.969402
"16798"	445.092806	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M-2H+K"	36.948606
"460614"	649.164906	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M-2H+K"	36.948606
"836229"	241.020706	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-2H+K"	36.948606
"1555983"	241.020706	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+K-2H"	36.948606
"945411"	249.070294	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-H+HCOOH"	44.998194
"365815"	453.142401	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+HCOOH-H"	44.998201
"352981"	467.158051	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+Hac-H"	59.013851
"1501813"	263.085951	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Hac-H"	59.013851
"972515"	271.052251	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-H+NaCOOH"	66.980151
"114975"	239.041502	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+2Cl"	69.938804
"555635"	341.077552	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+2Cl"	69.938804
"1025526"	137.005452	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2Cl"	69.938804
"1250570"	282.990985	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Br"	78.918885
"1314115"	285.046972	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Cl+HCOOH"	80.974872
"1332705"	307.028929	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Cl+NaCOOH"	102.956829
"919391"	317.057686	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M-H+CF3COOH"	112.985586
"1294277"	353.034364	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Cl+CF3COOH"	148.962264
"1370617"	169.059424	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H-2H2O"	-35.012676
"1386291"	187.0694	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H-H2O"	-17.0027
"287073"	409.151476	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+H"	1.007276
"683867"	613.223576	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+H"	1.007276
"1362404"	205.079376	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H"	1.007276
"130917"	205.079376	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+2H"	2.014552
"568653"	307.115426	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+2H"	2.014552
"1044747"	103.043326	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2H"	2.014552
"210461"	137.055342666667	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+3H"	3.021828
"651116"	205.079376	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+3H"	3.021828
"1168510"	69.0313093333333	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+3H"	3.021828
"431416"	426.178023	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+NH4"	18.033823
"791318"	630.250123	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+NH4"	18.033823
"1690937"	222.105923	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+NH4"	18.033823
"342497"	213.5926495	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+H+NH4"	19.041099
"730544"	315.6286995	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+H+NH4"	19.041099
"1485457"	111.5565995	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H+NH4"	19.041099
"400855"	431.133418	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+Na"	22.989218
"759662"	635.205518	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+Na"	22.989218
"1608856"	227.061318	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Na"	22.989218
"321084"	216.070347	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+H+Na"	23.996494
"712415"	318.106397	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+H+Na"	23.996494
"1465141"	114.034297	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H+Na"	23.996494
"1058388"	76.3586233333333	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2H+Na"	25.00377
"1265534"	237.105586	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+CH3OH+H"	33.033486
"385203"	447.107358	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+K"	38.963158
"742193"	651.179458	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+K"	38.963158
"1547162"	243.035258	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+K"	38.963158
"304701"	224.057317	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+H+K"	39.970434
"698947"	326.093367	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+H+K"	39.970434
"1452766"	122.021267	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H+K"	39.970434
"240274"	450.178026	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+ACN+H"	42.033826
"1216265"	246.105926	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+ACN+H"	42.033826
"1199058"	123.556601	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+ACN+2H"	43.041102
"197395"	453.11536	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+2Na-H"	44.97116
"631117"	657.18746	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+2Na-H"	44.97116
"1132801"	249.04326	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2Na-H"	44.97116
"174634"	227.061318	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+2Na"	45.978436
"614565"	329.097368	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+2Na"	45.978436
"1117215"	125.025268	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2Na"	45.978436
"1402697"	83.6859373333333	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H+2Na"	46.985712
"1432628"	251.084846	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H+HCOOH"	47.012746
"224511"	232.09434	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+3H2O+2H"	56.04448
"1512573"	265.13689	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+IsoProp+H"	61.06479
"410070"	235.048288	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+Na+K"	61.952376
"770241"	337.084338	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+Na+K"	61.952376
"1666459"	133.012238	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Na+K"	61.952376
"253913"	472.159968	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+ACN+Na"	64.015768
"1226371"	268.087868	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+ACN+Na"	64.015768
"1713110"	268.111393	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+NH4+HCOOH"	64.039293
"1178825"	91.0132513333333	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+3Na"	68.967654
"1650336"	273.066788	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Na+HCOOH"	68.994688
"157242"	485.06324	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+2K-H"	76.91904
"597533"	689.13534	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+2K-H"	76.91904
"1084676"	280.99114	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2K-H"	76.91904
"142264"	243.035258	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"2M+2K"	77.926316
"581946"	345.071308	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"3M+2K"	77.926316
"1069739"	140.999208	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2K"	77.926316
"1100237"	283.005692	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2K+H"	78.933592
"1336660"	283.093307	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+DMSO+H"	79.021207
"1006160"	287.132476	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2ACN+H"	83.060376
"1524653"	288.126108	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+IsoProp+Na+H"	84.054008
"991852"	144.069876	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+2ACN+2H"	84.067652
"1601310"	289.040728	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+K+HCOOH"	84.968628
"1428425"	319.072238	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+H+CF3COOH"	115.000138
"1158712"	164.583151	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+3ACN+2H"	125.094202
"1711544"	336.098785	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+NH4+CF3COOH"	132.026685
"1647194"	341.05418	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+Na+CF3COOH"	136.98208
"1581750"	357.02812	"C07070"	"Levamisole"	"C11H12N2S"	"204.0721"	"M+K+CF3COOH"	152.95602
"812114"	422.1622	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M"	0
"988928"	403.14381	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-H2O-H"	-19.01839
"68424"	280.434190666667	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M-3H"	-3.021828
"511264"	421.154924	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M-3H"	-3.021828
"892345"	139.713457333333	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-3H"	-3.021828
"13112"	421.154924	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M-2H"	-2.014552
"448298"	632.236024	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M-2H"	-2.014552
"826099"	210.073824	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-2H"	-2.014552
"87183"	843.317124	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M-H"	-1.007276
"524557"	1265.479324	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M-H"	-1.007276
"906735"	421.154924	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-H"	-1.007276
"58922"	860.343671	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M-2H+NH4"	16.019271
"493379"	1282.505871	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M-2H+NH4"	16.019271
"876286"	438.181471	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-2H+NH4"	16.019271
"40905"	865.299066	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M-2H+Na"	20.974666
"481560"	1287.461266	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M-2H+Na"	20.974666
"853893"	443.136866	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-2H+Na"	20.974666
"1620993"	443.136866	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Na-2H"	20.974666
"96062"	439.143263	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M-H+Cl"	33.962126
"540614"	650.224363	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M-H+Cl"	33.962126
"928420"	228.062163	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-H+Cl"	33.962126
"271597"	879.293802	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+Cl"	34.969402
"662559"	1301.456002	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+Cl"	34.969402
"1274596"	457.131602	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Cl"	34.969402
"17882"	881.273006	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M-2H+K"	36.948606
"461817"	1303.435206	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M-2H+K"	36.948606
"839619"	459.110806	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-2H+K"	36.948606
"1557639"	459.110806	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+K-2H"	36.948606
"946615"	467.160394	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-H+HCOOH"	44.998194
"369206"	889.322601	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+HCOOH-H"	44.998201
"356371"	903.338251	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+Hac-H"	59.013851
"1505933"	481.176051	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Hac-H"	59.013851
"972016"	489.142351	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-H+NaCOOH"	66.980151
"113992"	457.131602	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+2Cl"	69.938804
"557932"	668.212702	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+2Cl"	69.938804
"1028917"	246.050502	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2Cl"	69.938804
"1246307"	501.081085	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Br"	78.918885
"1310945"	503.137072	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Cl+HCOOH"	80.974872
"1332815"	525.119029	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Cl+NaCOOH"	102.956829
"922781"	535.147786	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M-H+CF3COOH"	112.985586
"1297303"	571.124464	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Cl+CF3COOH"	148.962264
"1376559"	387.149524	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H-2H2O"	-35.012676
"1388588"	405.1595	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H-H2O"	-17.0027
"295931"	845.331676	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+H"	1.007276
"683978"	1267.493876	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+H"	1.007276
"1363607"	423.169476	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H"	1.007276
"131391"	423.169476	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+2H"	2.014552
"569492"	634.250576	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+2H"	2.014552
"1042670"	212.088376	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2H"	2.014552
"213851"	282.448742666667	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+3H"	3.021828
"656329"	423.169476	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+3H"	3.021828
"1170445"	141.728009333333	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+3H"	3.021828
"430799"	862.358223	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+NH4"	18.033823
"792522"	1284.520423	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+NH4"	18.033823
"1691047"	440.196023	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+NH4"	18.033823
"342243"	431.6827495	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+H+NH4"	19.041099
"729562"	642.7638495	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+H+NH4"	19.041099
"1485568"	220.6016495	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H+NH4"	19.041099
"398778"	867.313618	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+Na"	22.989218
"756857"	1289.475818	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+Na"	22.989218
"1604957"	445.151418	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Na"	22.989218
"324475"	434.160447	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+H+Na"	23.996494
"715806"	645.241547	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+H+Na"	23.996494
"1467438"	223.079347	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H+Na"	23.996494
"1059591"	149.055323333333	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2H+Na"	25.00377
"1262363"	455.195686	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+CH3OH+H"	33.033486
"380938"	883.287558	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+K"	38.963158
"745219"	1305.449758	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+K"	38.963158
"1549459"	461.125358	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+K"	38.963158
"308820"	442.147417	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+H+K"	39.970434
"703431"	653.228517	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+H+K"	39.970434
"1453970"	231.066317	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H+K"	39.970434
"241479"	886.358226	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+ACN+H"	42.033826
"1213094"	464.196026	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+ACN+H"	42.033826
"1198071"	232.601651	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+ACN+2H"	43.041102
"193131"	889.29556	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+2Na-H"	44.97116
"638159"	1311.45776	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+2Na-H"	44.97116
"1136199"	467.13336	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2Na-H"	44.97116
"174750"	445.151418	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+2Na"	45.978436
"614429"	656.232518	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+2Na"	45.978436
"1117933"	234.070318	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2Na"	45.978436
"1403171"	156.382637333333	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H+2Na"	46.985712
"1438207"	469.174946	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H+HCOOH"	47.012746
"226811"	450.18444	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+3H2O+2H"	56.04448
"1514869"	483.22699	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+IsoProp+H"	61.06479
"409816"	453.138388	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+Na+K"	61.952376
"775185"	664.219488	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+Na+K"	61.952376
"1668600"	242.057288	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Na+K"	61.952376
"253659"	908.340168	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+ACN+Na"	64.015768
"1226365"	486.177968	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+ACN+Na"	64.015768
"1715627"	486.201493	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+NH4+HCOOH"	64.039293
"1180615"	163.709951333333	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+3Na"	68.967654
"1650423"	491.156888	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Na+HCOOH"	68.994688
"157248"	921.24344	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+2K-H"	76.91904
"597410"	1343.40564	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+2K-H"	76.91904
"1084963"	499.08124	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2K-H"	76.91904
"141689"	461.125358	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"2M+2K"	77.926316
"582104"	672.206458	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"3M+2K"	77.926316
"1068597"	250.044258	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2K"	77.926316
"1100024"	501.095792	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2K+H"	78.933592
"1336295"	501.183407	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+DMSO+H"	79.021207
"1006038"	505.222576	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2ACN+H"	83.060376
"1524172"	506.216208	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+IsoProp+Na+H"	84.054008
"995241"	253.114926	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+2ACN+2H"	84.067652
"1601783"	507.130828	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+K+HCOOH"	84.968628
"1429264"	537.162338	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+H+CF3COOH"	115.000138
"1157729"	273.628201	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+3ACN+2H"	125.094202
"1710561"	554.188885	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+NH4+CF3COOH"	132.026685
"1648764"	559.14428	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+Na+CF3COOH"	136.98208
"1581860"	575.11822	"C07072"	"Losartan"	"C22H23ClN6O"	"422.1622"	"M+K+CF3COOH"	152.95602
"802384"	234.1732	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M"	0
"981384"	215.15481	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-H2O-H"	-19.01839
"68531"	155.108190666667	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M-3H"	-3.021828
"510279"	233.165924	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M-3H"	-3.021828
"892454"	77.0504573333333	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-3H"	-3.021828
"9941"	233.165924	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M-2H"	-2.014552
"447314"	350.252524	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M-2H"	-2.014552
"820742"	116.079324	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-2H"	-2.014552
"84012"	467.339124	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M-H"	-1.007276
"522479"	701.512324	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M-H"	-1.007276
"902471"	233.165924	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-H"	-1.007276
"53565"	484.365671	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M-2H+NH4"	16.019271
"493125"	718.538871	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M-2H+NH4"	16.019271
"876396"	250.192471	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-2H+NH4"	16.019271
"41015"	489.321066	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M-2H+Na"	20.974666
"481670"	723.494266	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M-2H+Na"	20.974666
"854003"	255.147866	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-2H+Na"	20.974666
"1622075"	255.147866	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Na-2H"	20.974666
"97879"	251.154263	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M-H+Cl"	33.962126
"542911"	368.240863	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M-H+Cl"	33.962126
"937518"	134.067663	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-H+Cl"	33.962126
"273894"	503.315802	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+Cl"	34.969402
"664128"	737.489002	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+Cl"	34.969402
"1279810"	269.142602	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Cl"	34.969402
"23459"	505.295006	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M-2H+K"	36.948606
"461927"	739.468206	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M-2H+K"	36.948606
"840821"	271.121806	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-2H+K"	36.948606
"1557749"	271.121806	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+K-2H"	36.948606
"944538"	279.171394	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-H+HCOOH"	44.998194
"370408"	513.344601	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+HCOOH-H"	44.998201
"358667"	527.360251	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+Hac-H"	59.013851
"1506044"	293.187051	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Hac-H"	59.013851
"972126"	301.153351	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-H+NaCOOH"	66.980151
"111915"	269.142602	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+2Cl"	69.938804
"560229"	386.229202	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+2Cl"	69.938804
"1029027"	152.056002	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2Cl"	69.938804
"1248604"	313.092085	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Br"	78.918885
"1311055"	315.148072	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Cl+HCOOH"	80.974872
"1330738"	337.130029	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Cl+NaCOOH"	102.956829
"919611"	347.158786	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M-H+CF3COOH"	112.985586
"1293040"	383.135464	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Cl+CF3COOH"	148.962264
"1377762"	199.160524	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H-2H2O"	-35.012676
"1391978"	217.1705	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H-H2O"	-17.0027
"296041"	469.353676	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+H"	1.007276
"684088"	703.526876	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+H"	1.007276
"1360437"	235.180476	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H"	1.007276
"131137"	235.180476	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+2H"	2.014552
"569601"	352.267076	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+2H"	2.014552
"1044966"	118.093876	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2H"	2.014552
"213961"	157.122742666667	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+3H"	3.021828
"656803"	235.180476	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+3H"	3.021828
"1171648"	79.0650093333333	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+3H"	3.021828
"434919"	486.380223	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+NH4"	18.033823
"792631"	720.553423	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+NH4"	18.033823
"1688964"	252.207023	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+NH4"	18.033823
"336517"	243.6937495	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+H+NH4"	19.041099
"729671"	360.7803495	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+H+NH4"	19.041099
"1485678"	126.6071495	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H+NH4"	19.041099
"395242"	491.335618	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+Na"	22.989218
"759880"	725.508818	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+Na"	22.989218
"1604337"	257.162418	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Na"	22.989218
"322398"	246.171447	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+H+Na"	23.996494
"714822"	363.258047	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+H+Na"	23.996494
"1467548"	129.084847	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H+Na"	23.996494
"1061888"	86.3923233333333	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2H+Na"	25.00377
"1263566"	267.206686	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+CH3OH+H"	33.033486
"383234"	507.309558	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+K"	38.963158
"747519"	741.482758	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+K"	38.963158
"1549570"	273.136358	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+K"	38.963158
"308932"	254.158417	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+H+K"	39.970434
"703542"	371.245017	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+H+K"	39.970434
"1455174"	137.071817	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H+K"	39.970434
"241589"	510.380226	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+ACN+H"	42.033826
"1213204"	276.207026	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+ACN+H"	42.033826
"1199274"	138.607151	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+ACN+2H"	43.041102
"196519"	513.31756	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+2Na-H"	44.97116
"641794"	747.49076	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+2Na-H"	44.97116
"1140683"	279.14436	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2Na-H"	44.97116
"180691"	257.162418	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+2Na"	45.978436
"619157"	374.249018	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+2Na"	45.978436
"1118527"	140.075818	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2Na"	45.978436
"1406197"	93.7196373333333	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H+2Na"	46.985712
"1441596"	281.185946	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H+HCOOH"	47.012746
"226918"	262.19544	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+3H2O+2H"	56.04448
"1516073"	295.23799	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+IsoProp+H"	61.06479
"412842"	265.149388	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+Na+K"	61.952376
"774931"	382.235988	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+Na+K"	61.952376
"1671262"	148.062788	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Na+K"	61.952376
"253041"	532.362168	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+ACN+Na"	64.015768
"1229397"	298.188968	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+ACN+Na"	64.015768
"1715738"	298.212493	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+NH4+HCOOH"	64.039293
"1180726"	101.046951333333	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+3Na"	68.967654
"1653170"	303.167888	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Na+HCOOH"	68.994688
"162216"	545.26544	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+2K-H"	76.91904
"598861"	779.43864	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+2K-H"	76.91904
"1089570"	311.09224	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2K-H"	76.91904
"143105"	273.136358	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"2M+2K"	77.926316
"582419"	390.222958	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"3M+2K"	77.926316
"1069851"	156.049758	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2K"	77.926316
"1104761"	313.106792	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2K+H"	78.933592
"1342240"	313.194407	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+DMSO+H"	79.021207
"1006066"	317.233576	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2ACN+H"	83.060376
"1524880"	318.227208	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+IsoProp+Na+H"	84.054008
"995351"	159.120426	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+2ACN+2H"	84.067652
"1601770"	319.141828	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+K+HCOOH"	84.968628
"1428643"	349.173338	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+H+CF3COOH"	115.000138
"1161120"	179.633701	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+3ACN+2H"	125.094202
"1710673"	366.199885	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+NH4+CF3COOH"	132.026685
"1647415"	371.15528	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+Na+CF3COOH"	136.98208
"1581970"	387.12922	"C07073"	"Lidocaine"	"C14H22N2O"	"234.1732"	"M+K+CF3COOH"	152.95602
"802858"	404.2563	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M"	0
"981494"	385.23791	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-H2O-H"	-19.01839
"68642"	268.496924	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M-3H"	-3.021828
"510389"	403.249024	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M-3H"	-3.021828
"889283"	133.744824	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-3H"	-3.021828
"8958"	403.249024	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M-2H"	-2.014552
"444144"	605.377174	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M-2H"	-2.014552
"820852"	201.120874	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-2H"	-2.014552
"81936"	807.505324	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M-H"	-1.007276
"523682"	1211.761624	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M-H"	-1.007276
"902581"	403.249024	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-H"	-1.007276
"51487"	824.531871	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M-2H+NH4"	16.019271
"491047"	1228.788171	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M-2H+NH4"	16.019271
"868486"	420.275571	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-2H+NH4"	16.019271
"40032"	829.487266	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M-2H+Na"	20.974666
"483969"	1233.743566	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M-2H+Na"	20.974666
"854113"	425.230966	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-2H+Na"	20.974666
"1619632"	425.230966	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Na-2H"	20.974666
"96894"	421.237363	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M-H+Cl"	33.962126
"539741"	623.365513	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M-H+Cl"	33.962126
"937628"	219.109213	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-H+Cl"	33.962126
"269629"	843.482002	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+Cl"	34.969402
"660710"	1247.738302	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+Cl"	34.969402
"1273965"	439.225702	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Cl"	34.969402
"18102"	845.461206	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M-2H+K"	36.948606
"457662"	1249.717506	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M-2H+K"	36.948606
"832901"	441.204906	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-2H+K"	36.948606
"1556400"	441.204906	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+K-2H"	36.948606
"942806"	449.254494	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-H+HCOOH"	44.998194
"365051"	853.510801	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+HCOOH-H"	44.998201
"351122"	867.526451	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+Hac-H"	59.013851
"1497769"	463.270151	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Hac-H"	59.013851
"969684"	471.236451	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-H+NaCOOH"	66.980151
"111174"	439.225702	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+2Cl"	69.938804
"553777"	641.353852	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+2Cl"	69.938804
"1026950"	237.097552	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2Cl"	69.938804
"1246527"	483.175185	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Br"	78.918885
"1311165"	485.231172	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Cl+HCOOH"	80.974872
"1322101"	507.213129	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Cl+NaCOOH"	102.956829
"916441"	517.241886	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M-H+CF3COOH"	112.985586
"1291691"	553.218564	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Cl+CF3COOH"	148.962264
"1376779"	369.243624	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H-2H2O"	-35.012676
"1388808"	387.2536	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H-H2O"	-17.0027
"296151"	809.519876	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+H"	1.007276
"684198"	1213.776176	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+H"	1.007276
"1360547"	405.263576	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H"	1.007276
"129425"	405.263576	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+2H"	2.014552
"568618"	607.391726	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+2H"	2.014552
"1043983"	203.135426	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2H"	2.014552
"215165"	270.511476	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+3H"	3.021828
"658737"	405.263576	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+3H"	3.021828
"1170665"	135.759376	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+3H"	3.021828
"435029"	826.546423	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+NH4"	18.033823
"793834"	1230.802723	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+NH4"	18.033823
"1687980"	422.290123	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+NH4"	18.033823
"337356"	413.7768495	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+H+NH4"	19.041099
"727955"	615.9049995	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+H+NH4"	19.041099
"1480321"	211.6486995	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H+NH4"	19.041099
"397175"	831.501818	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+Na"	22.989218
"758168"	1235.758118	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+Na"	22.989218
"1603476"	427.245518	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Na"	22.989218
"323601"	416.254547	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+H+Na"	23.996494
"716026"	618.382697	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+H+Na"	23.996494
"1468752"	214.126397	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H+Na"	23.996494
"1061998"	143.08669	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2H+Na"	25.00377
"1263676"	437.289786	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+CH3OH+H"	33.033486
"385531"	847.475758	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+K"	38.963158
"747629"	1251.732058	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+K"	38.963158
"1550774"	443.219458	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+K"	38.963158
"309042"	424.241517	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+H+K"	39.970434
"703653"	626.369667	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+H+K"	39.970434
"1454191"	222.113367	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H+K"	39.970434
"241700"	850.546426	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+ACN+H"	42.033826
"1214408"	446.290126	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+ACN+H"	42.033826
"1198291"	223.648701	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+ACN+2H"	43.041102
"195536"	853.48376	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+2Na-H"	44.97116
"640567"	1257.74006	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+2Na-H"	44.97116
"1141886"	449.22746	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2Na-H"	44.97116
"179708"	427.245518	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+2Na"	45.978436
"616351"	629.373668	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+2Na"	45.978436
"1119123"	225.117368	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2Na"	45.978436
"1400833"	150.414004	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H+2Na"	46.985712
"1437329"	451.269046	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H+HCOOH"	47.012746
"224838"	432.27854	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+3H2O+2H"	56.04448
"1509976"	465.32109	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+IsoProp+H"	61.06479
"413682"	435.232488	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+Na+K"	61.952376
"772124"	637.360638	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+Na+K"	61.952376
"1668088"	233.104338	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Na+K"	61.952376
"254611"	872.528368	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+ACN+Na"	64.015768
"1228779"	468.272068	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+ACN+Na"	64.015768
"1719128"	468.295593	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+NH4+HCOOH"	64.039293
"1181929"	157.741318	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+3Na"	68.967654
"1652551"	473.250988	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Na+HCOOH"	68.994688
"163420"	885.43164	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+2K-H"	76.91904
"597756"	1289.68794	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+2K-H"	76.91904
"1092960"	481.17534	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2K-H"	76.91904
"146495"	443.219458	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"2M+2K"	77.926316
"581678"	645.347608	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"3M+2K"	77.926316
"1073850"	241.091308	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2K"	77.926316
"1104871"	483.189892	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2K+H"	78.933592
"1342350"	483.277507	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+DMSO+H"	79.021207
"1005706"	487.316676	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2ACN+H"	83.060376
"1524226"	488.310308	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+IsoProp+Na+H"	84.054008
"996556"	244.161976	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+2ACN+2H"	84.067652
"1601759"	489.224928	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+K+HCOOH"	84.968628
"1429120"	519.256438	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+H+CF3COOH"	115.000138
"1157950"	264.675251	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+3ACN+2H"	125.094202
"1711511"	536.282985	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+NH4+CF3COOH"	132.026685
"1648618"	541.23838	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+Na+CF3COOH"	136.98208
"1582080"	557.21232	"C07074"	"Lovastatin"	"C24H36O5"	"404.2563"	"M+K+CF3COOH"	152.95602
"804790"	287.8601	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M"	0
"977230"	268.84171	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-H2O-H"	-19.01839
"68752"	190.899457333333	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M-3H"	-3.021828
"510499"	286.852824	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M-3H"	-3.021828
"893768"	94.9460906666666	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-3H"	-3.021828
"9068"	286.852824	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M-2H"	-2.014552
"445347"	430.782874	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M-2H"	-2.014552
"824242"	142.922774	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-2H"	-2.014552
"81681"	574.712924	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M-H"	-1.007276
"523794"	862.573024	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M-H"	-1.007276
"904879"	286.852824	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-H"	-1.007276
"57067"	591.739471	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M-2H+NH4"	16.019271
"497720"	879.599571	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M-2H+NH4"	16.019271
"870056"	303.879371	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-2H+NH4"	16.019271
"41236"	596.694866	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M-2H+Na"	20.974666
"481526"	884.554966	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M-2H+Na"	20.974666
"854221"	308.834766	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-2H+Na"	20.974666
"1623388"	308.834766	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Na-2H"	20.974666
"99193"	304.841163	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M-H+Cl"	33.962126
"540945"	448.771213	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M-H+Cl"	33.962126
"936645"	160.911113	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-H+Cl"	33.962126
"267794"	610.689602	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+Cl"	34.969402
"661065"	898.549702	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+Cl"	34.969402
"1274317"	322.829502	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Cl"	34.969402
"19305"	612.668806	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M-2H+K"	36.948606
"457773"	900.528906	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M-2H+K"	36.948606
"834480"	324.808706	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-2H+K"	36.948606
"1556146"	324.808706	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+K-2H"	36.948606
"949132"	332.858294	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-H+HCOOH"	44.998194
"364067"	620.718401	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+HCOOH-H"	44.998201
"354513"	634.734051	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+Hac-H"	59.013851
"1500066"	346.873951	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Hac-H"	59.013851
"971980"	354.840251	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-H+NaCOOH"	66.980151
"118696"	322.829502	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+2Cl"	69.938804
"554981"	466.759552	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+2Cl"	69.938804
"1027060"	178.899452	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2Cl"	69.938804
"1245544"	366.778985	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Br"	78.918885
"1311276"	368.834972	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Cl+HCOOH"	80.974872
"1323303"	390.816929	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Cl+NaCOOH"	102.956829
"913999"	400.845686	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M-H+CF3COOH"	112.985586
"1291073"	436.822364	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Cl+CF3COOH"	148.962264
"1373609"	252.847424	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H-2H2O"	-35.012676
"1385637"	270.8574	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H-H2O"	-17.0027
"298331"	576.727476	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+H"	1.007276
"684308"	864.587576	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+H"	1.007276
"1362845"	288.867376	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H"	1.007276
"135731"	288.867376	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+2H"	2.014552
"567634"	432.797426	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+2H"	2.014552
"1044092"	144.937326	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2H"	2.014552
"216367"	192.914009333333	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+3H"	3.021828
"657874"	288.867376	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+3H"	3.021828
"1175149"	96.9606426666667	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+3H"	3.021828
"433316"	593.754023	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+NH4"	18.033823
"792851"	881.614123	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+NH4"	18.033823
"1686995"	305.893923	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+NH4"	18.033823
"336371"	297.3806495	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+H+NH4"	19.041099
"730979"	441.3106995	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+H+NH4"	19.041099
"1482611"	153.4505995	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H+NH4"	19.041099
"396186"	598.709418	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+Na"	22.989218
"755361"	886.569518	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+Na"	22.989218
"1604193"	310.849318	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Na"	22.989218
"318242"	299.858347	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+H+Na"	23.996494
"717229"	443.788397	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+H+Na"	23.996494
"1471048"	155.928297	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H+Na"	23.996494
"1061015"	104.287956666667	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2H+Na"	25.00377
"1265972"	320.893586	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+CH3OH+H"	33.033486
"384547"	614.683358	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+K"	38.963158
"745554"	902.543458	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+K"	38.963158
"1550885"	326.823258	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+K"	38.963158
"310247"	307.845317	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+H+K"	39.970434
"702306"	451.775367	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+H+K"	39.970434
"1454301"	163.915267	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H+K"	39.970434
"239623"	617.754026	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+ACN+H"	42.033826
"1214518"	329.893926	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+ACN+H"	42.033826
"1197308"	165.450601	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+ACN+2H"	43.041102
"192366"	620.69136	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+2Na-H"	44.97116
"637397"	908.55146	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+2Na-H"	44.97116
"1140906"	332.83126	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2Na-H"	44.97116
"183099"	310.849318	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+2Na"	45.978436
"619379"	454.779368	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+2Na"	45.978436
"1118508"	166.919268	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2Na"	45.978436
"1400572"	111.615270666667	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H+2Na"	46.985712
"1436346"	334.872846	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H+HCOOH"	47.012746
"224948"	315.88234	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+3H2O+2H"	56.04448
"1510093"	348.92489	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+IsoProp+H"	61.06479
"411604"	318.836288	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+Na+K"	61.952376
"772594"	462.766338	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+Na+K"	61.952376
"1667101"	174.906238	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Na+K"	61.952376
"254721"	639.735968	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+ACN+Na"	64.015768
"1229618"	351.875868	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+ACN+Na"	64.015768
"1719238"	351.899393	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+NH4+HCOOH"	64.039293
"1181675"	118.942584666667	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+3Na"	68.967654
"1652660"	356.854788	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Na+HCOOH"	68.994688
"166810"	652.63924	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+2K-H"	76.91904
"600904"	940.49934	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+2K-H"	76.91904
"1091977"	364.77914	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2K-H"	76.91904
"147699"	326.823258	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"2M+2K"	77.926316
"582882"	470.753308	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"3M+2K"	77.926316
"1075053"	182.893208	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2K"	77.926316
"1102794"	366.793692	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2K+H"	78.933592
"1340272"	366.881307	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+DMSO+H"	79.021207
"1007713"	370.920476	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2ACN+H"	83.060376
"1526931"	371.914108	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+IsoProp+Na+H"	84.054008
"995572"	185.963876	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+2ACN+2H"	84.067652
"1597737"	372.828728	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+K+HCOOH"	84.968628
"1428500"	402.860238	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+H+CF3COOH"	115.000138
"1154780"	206.477151	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+3ACN+2H"	125.094202
"1705424"	419.886785	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+NH4+CF3COOH"	132.026685
"1648728"	424.84218	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+Na+CF3COOH"	136.98208
"1582190"	440.81612	"C07075"	"Lindane;gamma-Hexachlorocyclohexane;123456-Hexachlorocyclohexane;Benzene hexachloride;gamma-BHC"	"C6H6Cl6"	"287.8601"	"M+K+CF3COOH"	152.95602
"805994"	351.1394	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M"	0
"977340"	332.12101	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-H2O-H"	-19.01839
"65582"	233.085657333333	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M-3H"	-3.021828
"509516"	350.132124	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M-3H"	-3.021828
"888410"	116.039190666667	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-3H"	-3.021828
"9178"	350.132124	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M-2H"	-2.014552
"443269"	525.701824	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M-2H"	-2.014552
"821072"	174.562424	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-2H"	-2.014552
"84341"	701.271524	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M-H"	-1.007276
"521351"	1052.410924	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M-H"	-1.007276
"909244"	350.132124	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-H"	-1.007276
"59363"	718.298071	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M-2H+NH4"	16.019271
"500017"	1069.437471	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M-2H+NH4"	16.019271
"869073"	367.158671	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-2H+NH4"	16.019271
"40983"	723.253466	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M-2H+Na"	20.974666
"478720"	1074.392866	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M-2H+Na"	20.974666
"851415"	372.114066	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-2H+Na"	20.974666
"1619489"	372.114066	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Na-2H"	20.974666
"99303"	368.120463	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M-H+Cl"	33.962126
"541055"	543.690163	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M-H+Cl"	33.962126
"940035"	192.550763	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-H+Cl"	33.962126
"267294"	737.248202	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+Cl"	34.969402
"660445"	1088.387602	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+Cl"	34.969402
"1273942"	386.108802	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Cl"	34.969402
"21602"	739.227406	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M-2H+K"	36.948606
"458977"	1090.366806	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M-2H+K"	36.948606
"834711"	388.088006	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-2H+K"	36.948606
"1556985"	388.088006	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+K-2H"	36.948606
"944868"	396.137594	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-H+HCOOH"	44.998194
"364177"	747.277001	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+HCOOH-H"	44.998201
"351343"	761.292651	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+Hac-H"	59.013851
"1500175"	410.153251	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Hac-H"	59.013851
"968809"	418.119551	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-H+NaCOOH"	66.980151
"115526"	386.108802	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+2Cl"	69.938804
"556183"	561.678502	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+2Cl"	69.938804
"1027170"	210.539102	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2Cl"	69.938804
"1246745"	430.058285	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Br"	78.918885
"1311386"	432.114272	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Cl+HCOOH"	80.974872
"1324508"	454.096229	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Cl+NaCOOH"	102.956829
"912164"	464.124986	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M-H+CF3COOH"	112.985586
"1288491"	500.101664	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Cl+CF3COOH"	148.962264
"1374812"	316.126724	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H-2H2O"	-35.012676
"1385747"	334.1367	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H-H2O"	-17.0027
"289810"	703.286076	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+H"	1.007276
"682230"	1054.425476	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+H"	1.007276
"1354205"	352.146676	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H"	1.007276
"131465"	352.146676	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+2H"	2.014552
"567743"	527.716376	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+2H"	2.014552
"1043109"	176.576976	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2H"	2.014552
"213195"	235.100209333333	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+3H"	3.021828
"653852"	352.146676	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+3H"	3.021828
"1174165"	118.053742666667	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+3H"	3.021828
"435249"	720.312623	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+NH4"	18.033823
"794056"	1071.452023	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+NH4"	18.033823
"1683826"	369.173223	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+NH4"	18.033823
"337574"	360.6599495	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+H+NH4"	19.041099
"726715"	536.2296495	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+H+NH4"	19.041099
"1479805"	185.0902495	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H+NH4"	19.041099
"394110"	725.268018	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+Na"	22.989218
"755471"	1076.407418	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+Na"	22.989218
"1603934"	374.128618	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Na"	22.989218
"314940"	363.137647	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+H+Na"	23.996494
"709678"	538.707347	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+H+Na"	23.996494
"1466783"	187.567947	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H+Na"	23.996494
"1056748"	125.381056666667	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2H+Na"	25.00377
"1261707"	384.172886	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+CH3OH+H"	33.033486
"381374"	741.241958	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+K"	38.963158
"746757"	1092.381358	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+K"	38.963158
"1553181"	390.102558	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+K"	38.963158
"311450"	371.124617	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+H+K"	39.970434
"703145"	546.694317	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+H+K"	39.970434
"1454411"	195.554917	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H+K"	39.970434
"240825"	744.312626	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+ACN+H"	42.033826
"1212075"	393.173226	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+ACN+H"	42.033826
"1198511"	197.090251	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+ACN+2H"	43.041102
"192840"	747.24996	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+2Na-H"	44.97116
"636414"	1098.38936	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+2Na-H"	44.97116
"1142106"	396.11056	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2Na-H"	44.97116
"182116"	374.128618	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+2Na"	45.978436
"616573"	549.698318	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+2Na"	45.978436
"1117522"	198.558918	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2Na"	45.978436
"1401775"	132.708370666667	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H+2Na"	46.985712
"1431702"	398.152146	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H+HCOOH"	47.012746
"226152"	379.16164	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+3H2O+2H"	56.04448
"1515307"	412.20419	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+IsoProp+H"	61.06479
"411714"	382.115588	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+Na+K"	61.952376
"772341"	557.685288	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+Na+K"	61.952376
"1667941"	206.545888	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Na+K"	61.952376
"252644"	766.294568	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+ACN+Na"	64.015768
"1229364"	415.155168	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+ACN+Na"	64.015768
"1721535"	415.178693	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+NH4+HCOOH"	64.039293
"1185794"	140.035684666667	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+3Na"	68.967654
"1656780"	420.134088	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Na+HCOOH"	68.994688
"162547"	779.19784	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+2K-H"	76.91904
"598827"	1130.33724	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+2K-H"	76.91904
"1086983"	428.05844	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2K-H"	76.91904
"143799"	390.102558	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"2M+2K"	77.926316
"581530"	565.672258	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"3M+2K"	77.926316
"1069083"	214.532858	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2K"	77.926316
"1101810"	430.072992	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2K+H"	78.933592
"1339289"	430.160607	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+DMSO+H"	79.021207
"1010010"	434.199776	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2ACN+H"	83.060376
"1529229"	435.193408	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+IsoProp+Na+H"	84.054008
"995681"	217.603526	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+2ACN+2H"	84.067652
"1595660"	436.108028	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+K+HCOOH"	84.968628
"1427880"	466.139538	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+H+CF3COOH"	115.000138
"1155982"	238.116801	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+3ACN+2H"	125.094202
"1708814"	483.166085	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+NH4+CF3COOH"	132.026685
"1647743"	488.12148	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+Na+CF3COOH"	136.98208
"1582300"	504.09542	"C07078"	"Lomefloxacin"	"C17H19F2N3O3"	"351.1394"	"M+K+CF3COOH"	152.95602
"812666"	233.0931	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M"	0
"978543"	214.07471	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-H2O-H"	-19.01839
"66786"	154.388124	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M-3H"	-3.021828
"516188"	232.085824	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M-3H"	-3.021828
"890707"	76.690424	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-3H"	-3.021828
"14392"	232.085824	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M-2H"	-2.014552
"452129"	348.632374	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M-2H"	-2.014552
"826650"	115.539274	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-2H"	-2.014552
"83723"	465.178924	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M-H"	-1.007276
"526201"	698.272024	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M-H"	-1.007276
"905098"	232.085824	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-H"	-1.007276
"54004"	482.205471	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M-2H+NH4"	16.019271
"500856"	715.298571	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M-2H+NH4"	16.019271
"878177"	249.112371	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-2H+NH4"	16.019271
"44375"	487.160866	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M-2H+Na"	20.974666
"476646"	720.253966	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M-2H+Na"	20.974666
"858819"	254.067766	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-2H+Na"	20.974666
"1630539"	254.067766	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Na-2H"	20.974666
"99777"	250.074163	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M-H+Cl"	33.962126
"544446"	366.620713	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M-H+Cl"	33.962126
"940511"	133.527613	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-H+Cl"	33.962126
"276522"	501.155602	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+Cl"	34.969402
"666756"	734.248702	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+Cl"	34.969402
"1275149"	268.062502	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Cl"	34.969402
"21714"	503.134806	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M-2H+K"	36.948606
"466741"	736.227906	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M-2H+K"	36.948606
"837982"	270.041706	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-2H+K"	36.948606
"1560375"	270.041706	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+K-2H"	36.948606
"949351"	278.091294	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-H+HCOOH"	44.998194
"368662"	511.184401	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+HCOOH-H"	44.998201
"354734"	525.200051	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+Hac-H"	59.013851
"1500286"	292.106951	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Hac-H"	59.013851
"971106"	300.073251	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-H+NaCOOH"	66.980151
"118916"	268.062502	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+2Cl"	69.938804
"555201"	384.609052	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+2Cl"	69.938804
"1029467"	151.515952	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2Cl"	69.938804
"1247951"	312.011985	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Br"	78.918885
"1311496"	314.067972	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Cl+HCOOH"	80.974872
"1322431"	336.049929	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Cl+NaCOOH"	102.956829
"913491"	346.078686	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M-H+CF3COOH"	112.985586
"1292386"	382.055364	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Cl+CF3COOH"	148.962264
"1374922"	198.080424	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H-2H2O"	-35.012676
"1388045"	216.0904	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H-H2O"	-17.0027
"298192"	467.193476	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+H"	1.007276
"687444"	700.286576	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+H"	1.007276
"1361970"	234.100376	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H"	1.007276
"132670"	234.100376	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+2H"	2.014552
"572231"	350.646926	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+2H"	2.014552
"1045405"	117.553826	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2H"	2.014552
"214401"	156.402676	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+3H"	3.021828
"652870"	234.100376	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+3H"	3.021828
"1175005"	78.704976	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+3H"	3.021828
"435360"	484.220023	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+NH4"	18.033823
"797447"	717.313123	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+NH4"	18.033823
"1686122"	251.126923	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+NH4"	18.033823
"337684"	242.6136495	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+H+NH4"	19.041099
"730107"	359.1601995	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+H+NH4"	19.041099
"1480647"	126.0670995	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H+NH4"	19.041099
"394222"	489.175418	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+Na"	22.989218
"755338"	722.268518	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+Na"	22.989218
"1603073"	256.082318	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Na"	22.989218
"317363"	245.091347	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+H+Na"	23.996494
"707597"	361.637897	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+H+Na"	23.996494
"1470174"	128.544797	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H+Na"	23.996494
"1056858"	86.03229	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2H+Na"	25.00377
"1264005"	266.126586	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+CH3OH+H"	33.033486
"381484"	505.149358	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+K"	38.963158
"749047"	738.242458	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+K"	38.963158
"1552195"	272.056258	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+K"	38.963158
"310465"	253.078317	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+H+K"	39.970434
"701793"	369.624867	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+H+K"	39.970434
"1453425"	136.531767	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H+K"	39.970434
"240204"	508.220026	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+ACN+H"	42.033826
"1218019"	275.126926	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+ACN+H"	42.033826
"1197892"	138.067101	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+ACN+2H"	43.041102
"191492"	511.15736	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+2Na-H"	44.97116
"637617"	744.25046	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+2Na-H"	44.97116
"1142216"	278.06426	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2Na-H"	44.97116
"181132"	256.082318	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+2Na"	45.978436
"617411"	372.628868	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+2Na"	45.978436
"1117634"	139.535768	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2Na"	45.978436
"1400793"	93.359604	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H+2Na"	46.985712
"1431450"	280.105846	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H+HCOOH"	47.012746
"226262"	261.11534	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+3H2O+2H"	56.04448
"1517604"	294.15789	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+IsoProp+H"	61.06479
"416197"	264.069288	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+Na+K"	61.952376
"777195"	380.615838	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+Na+K"	61.952376
"1671337"	147.522738	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Na+K"	61.952376
"257857"	530.201968	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+ACN+Na"	64.015768
"1227649"	297.108868	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+ACN+Na"	64.015768
"1721645"	297.132393	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+NH4+HCOOH"	64.039293
"1192831"	100.686918	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+3Na"	68.967654
"1662358"	302.087788	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Na+HCOOH"	68.994688
"170312"	543.10524	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+2K-H"	76.91904
"603313"	776.19834	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+2K-H"	76.91904
"1095480"	310.01214	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2K-H"	76.91904
"149014"	272.056258	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"2M+2K"	77.926316
"591854"	388.602808	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"3M+2K"	77.926316
"1069803"	155.509708	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2K"	77.926316
"1106295"	312.026692	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2K+H"	78.933592
"1340494"	312.114307	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+DMSO+H"	79.021207
"1011215"	316.153476	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2ACN+H"	83.060376
"1527152"	317.147108	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+IsoProp+Na+H"	84.054008
"995791"	158.580376	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+2ACN+2H"	84.067652
"1597957"	318.061728	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+K+HCOOH"	84.968628
"1427990"	348.093238	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+H+CF3COOH"	115.000138
"1156092"	179.093651	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+3ACN+2H"	125.094202
"1705643"	365.119785	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+NH4+CF3COOH"	132.026685
"1646760"	370.07518	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+Na+CF3COOH"	136.98208
"1575849"	386.04912	"C07079"	"Lomustine;1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea"	"C9H16ClN3O2"	"233.0931"	"M+K+CF3COOH"	152.95602
"806214"	476.2231	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M"	0
"983027"	457.20471	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-H2O-H"	-19.01839
"69082"	316.474790666667	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M-3H"	-3.021828
"508642"	475.215824	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M-3H"	-3.021828
"891910"	157.733757333333	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-3H"	-3.021828
"11578"	475.215824	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M-2H"	-2.014552
"450049"	713.327374	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M-2H"	-2.014552
"823476"	237.104274	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-2H"	-2.014552
"87840"	951.438924	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M-H"	-1.007276
"527399"	1427.662024	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M-H"	-1.007276
"901919"	475.215824	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-H"	-1.007276
"50467"	968.465471	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M-2H+NH4"	16.019271
"493675"	1444.688571	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M-2H+NH4"	16.019271
"873665"	492.242371	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-2H+NH4"	16.019271
"45213"	973.420866	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M-2H+Na"	20.974666
"480036"	1449.643966	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M-2H+Na"	20.974666
"860022"	497.197766	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-2H+Na"	20.974666
"1625182"	497.197766	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Na-2H"	20.974666
"98431"	493.204163	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M-H+Cl"	33.962126
"544556"	731.315713	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M-H+Cl"	33.962126
"942699"	255.092613	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-H+Cl"	33.962126
"274445"	987.415602	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+Cl"	34.969402
"665772"	1463.638702	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+Cl"	34.969402
"1278175"	511.192502	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Cl"	34.969402
"25104"	989.394806	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M-2H+K"	36.948606
"464664"	1465.617906	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M-2H+K"	36.948606
"838091"	513.171706	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-2H+K"	36.948606
"1558298"	513.171706	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+K-2H"	36.948606
"949461"	521.221294	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-H+HCOOH"	44.998194
"372051"	997.444401	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+HCOOH-H"	44.998201
"353750"	1011.460051	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+Hac-H"	59.013851
"1498937"	535.236951	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Hac-H"	59.013851
"971215"	543.203251	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-H+NaCOOH"	66.980151
"119026"	511.192502	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+2Cl"	69.938804
"556404"	749.304052	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+2Cl"	69.938804
"1025201"	273.080952	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2Cl"	69.938804
"1242956"	555.141985	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Br"	78.918885
"1309419"	557.197972	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Cl+HCOOH"	80.974872
"1322906"	579.179929	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Cl+NaCOOH"	102.956829
"914694"	589.208686	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M-H+CF3COOH"	112.985586
"1291403"	625.185364	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Cl+CF3COOH"	148.962264
"1373939"	441.210424	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H-2H2O"	-35.012676
"1390342"	459.2204	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H-H2O"	-17.0027
"297688"	953.453476	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+H"	1.007276
"684638"	1429.676576	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+H"	1.007276
"1363173"	477.230376	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H"	1.007276
"129134"	477.230376	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+2H"	2.014552
"571248"	715.341926	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+2H"	2.014552
"1042235"	239.118826	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2H"	2.014552
"210136"	318.489342666667	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+3H"	3.021828
"651886"	477.230376	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+3H"	3.021828
"1171105"	159.748309333333	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+3H"	3.021828
"432190"	970.480023	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+NH4"	18.033823
"795370"	1446.703123	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+NH4"	18.033823
"1683680"	494.256923	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+NH4"	18.033823
"332325"	485.7436495	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+H+NH4"	19.041099
"728028"	723.8551995	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+H+NH4"	19.041099
"1480756"	247.6320995	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H+NH4"	19.041099
"394210"	975.435418	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+Na"	22.989218
"756420"	1451.658518	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+Na"	22.989218
"1603425"	499.212318	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Na"	22.989218
"315650"	488.221347	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+H+Na"	23.996494
"707832"	726.332897	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+H+Na"	23.996494
"1464817"	250.109797	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H+Na"	23.996494
"1056967"	167.075623333333	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2H+Na"	25.00377
"1264115"	509.256586	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+CH3OH+H"	33.033486
"380501"	991.409358	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+K"	38.963158
"744781"	1467.632458	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+K"	38.963158
"1551209"	515.186258	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+K"	38.963158
"307293"	496.208317	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+H+K"	39.970434
"695705"	734.319867	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+H+K"	39.970434
"1453535"	258.096767	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H+K"	39.970434
"239220"	994.480026	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+ACN+H"	42.033826
"1211564"	518.256926	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+ACN+H"	42.033826
"1198366"	259.632101	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+ACN+2H"	43.041102
"191599"	997.41736	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+2Na-H"	44.97116
"639914"	1473.64046	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+2Na-H"	44.97116
"1142326"	521.19426	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2Na-H"	44.97116
"181242"	499.212318	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+2Na"	45.978436
"618614"	737.323868	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+2Na"	45.978436
"1120296"	261.100768	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2Na"	45.978436
"1401997"	174.402937333333	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H+2Na"	46.985712
"1433748"	523.235846	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H+HCOOH"	47.012746
"227466"	504.24534	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+3H2O+2H"	56.04448
"1517714"	537.28789	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+IsoProp+H"	61.06479
"417402"	507.199288	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+Na+K"	61.952376
"777305"	745.310838	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+Na+K"	61.952376
"1671447"	269.087738	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Na+K"	61.952376
"256874"	1016.461968	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+ACN+Na"	64.015768
"1231771"	540.238868	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+ACN+Na"	64.015768
"1725035"	540.262393	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+NH4+HCOOH"	64.039293
"1192576"	181.730251333333	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+3Na"	68.967654
"1663562"	545.217788	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Na+HCOOH"	68.994688
"167142"	1029.36524	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+2K-H"	76.91904
"604517"	1505.58834	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+2K-H"	76.91904
"1094496"	553.14214	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2K-H"	76.91904
"149124"	515.186258	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"2M+2K"	77.926316
"591964"	753.297808	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"3M+2K"	77.926316
"1072099"	277.074708	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2K"	77.926316
"1107499"	555.156692	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2K+H"	78.933592
"1340604"	555.244307	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+DMSO+H"	79.021207
"1011325"	559.283476	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2ACN+H"	83.060376
"1532730"	560.277108	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+IsoProp+Na+H"	84.054008
"993712"	280.145376	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+2ACN+2H"	84.067652
"1601834"	561.191728	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+K+HCOOH"	84.968628
"1427007"	591.223238	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+H+CF3COOH"	115.000138
"1158758"	300.658651	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+3ACN+2H"	125.094202
"1710495"	608.249785	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+NH4+CF3COOH"	132.026685
"1646872"	613.20518	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+Na+CF3COOH"	136.98208
"1582520"	629.17912	"C07080"	"Loperamide"	"C29H33ClN2O2"	"476.2231"	"M+K+CF3COOH"	152.95602
"801906"	104.0626	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M"	0
"980950"	85.04421	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-H2O-H"	-19.01839
"65912"	68.3677906666667	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M-3H"	-3.021828
"512032"	103.055324	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M-3H"	-3.021828
"888740"	33.6802573333333	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-3H"	-3.021828
"11688"	103.055324	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M-2H"	-2.014552
"446878"	155.086624	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M-2H"	-2.014552
"825773"	51.024024	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-2H"	-2.014552
"85764"	207.117924	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M-H"	-1.007276
"530790"	311.180524	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M-H"	-1.007276
"904217"	103.055324	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-H"	-1.007276
"50577"	224.144471	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M-2H+NH4"	16.019271
"491598"	328.207071	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M-2H+NH4"	16.019271
"873775"	120.081871	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-2H+NH4"	16.019271
"40582"	229.099866	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M-2H+Na"	20.974666
"482333"	333.162466	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M-2H+Na"	20.974666
"856853"	125.037266	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-2H+Na"	20.974666
"1624199"	125.037266	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Na-2H"	20.974666
"98541"	121.043663	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M-H+Cl"	33.962126
"547946"	173.074963	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M-H+Cl"	33.962126
"942689"	69.012363	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-H+Cl"	33.962126
"273459"	243.094602	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+Cl"	34.969402
"664788"	347.157202	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+Cl"	34.969402
"1281565"	139.032002	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Cl"	34.969402
"21932"	245.073806	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M-2H+K"	36.948606
"459306"	349.136406	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M-2H+K"	36.948606
"837107"	141.011206	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-2H+K"	36.948606
"1557315"	141.011206	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+K-2H"	36.948606
"948478"	149.060794	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-H+HCOOH"	44.998194
"374718"	253.123401	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+HCOOH-H"	44.998201
"354955"	267.139051	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+Hac-H"	59.013851
"1502694"	163.076451	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Hac-H"	59.013851
"968046"	171.042751	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-H+NaCOOH"	66.980151
"121325"	139.032002	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+2Cl"	69.938804
"555420"	191.063302	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+2Cl"	69.938804
"1030778"	87.000702	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2Cl"	69.938804
"1244889"	182.981485	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Br"	78.918885
"1304789"	185.037472	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Cl+HCOOH"	80.974872
"1321558"	207.019429	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Cl+NaCOOH"	102.956829
"912614"	217.048186	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M-H+CF3COOH"	112.985586
"1291513"	253.024864	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Cl+CF3COOH"	148.962264
"1374049"	69.049924	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H-2H2O"	-35.012676
"1392639"	87.0599	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H-H2O"	-17.0027
"297070"	209.132476	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+H"	1.007276
"684748"	313.195076	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+H"	1.007276
"1362190"	105.069876	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H"	1.007276
"128880"	105.069876	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+2H"	2.014552
"571358"	157.101176	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+2H"	2.014552
"1041250"	53.038576	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2H"	2.014552
"208059"	70.3823426666667	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+3H"	3.021828
"647987"	105.069876	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+3H"	3.021828
"1170122"	35.6948093333333	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+3H"	3.021828
"433394"	226.159023	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+NH4"	18.033823
"791108"	330.221623	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+NH4"	18.033823
"1684156"	122.096423	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+NH4"	18.033823
"331342"	113.5831495	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+H+NH4"	19.041099
"724858"	165.6144495	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+H+NH4"	19.041099
"1479772"	61.5518495	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H+NH4"	19.041099
"393065"	231.114418	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+Na"	22.989218
"754501"	335.177018	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+Na"	22.989218
"1603168"	127.051818	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Na"	22.989218
"314661"	116.060847	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+H+Na"	23.996494
"707534"	168.092147	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+H+Na"	23.996494
"1464927"	64.029547	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H+Na"	23.996494
"1054161"	43.0221233333333	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2H+Na"	25.00377
"1264225"	137.096086	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+CH3OH+H"	33.033486
"378179"	247.088358	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+K"	38.963158
"747077"	351.150958	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+K"	38.963158
"1552412"	143.025758	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+K"	38.963158
"309588"	124.047817	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+H+K"	39.970434
"698731"	176.079117	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+H+K"	39.970434
"1453645"	72.016517	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H+K"	39.970434
"243339"	250.159026	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+ACN+H"	42.033826
"1213498"	146.096426	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+ACN+H"	42.033826
"1201028"	73.551851	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+ACN+2H"	43.041102
"191346"	253.09636	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+2Na-H"	44.97116
"640024"	357.15896	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+2Na-H"	44.97116
"1142436"	149.03376	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2Na-H"	44.97116
"177706"	127.051818	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+2Na"	45.978436
"616536"	179.083118	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+2Na"	45.978436
"1119677"	75.020518	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2Na"	45.978436
"1401378"	50.3494373333333	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H+2Na"	46.985712
"1432036"	151.075346	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H+HCOOH"	47.012746
"220758"	132.08484	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+3H2O+2H"	56.04448
"1511262"	165.12739	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+IsoProp+H"	61.06479
"416418"	135.038788	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+Na+K"	61.952376
"777415"	187.070088	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+Na+K"	61.952376
"1670464"	83.007488	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Na+K"	61.952376
"258078"	272.140968	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+ACN+Na"	64.015768
"1232974"	168.078368	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+ACN+Na"	64.015768
"1728271"	168.101893	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+NH4+HCOOH"	64.039293
"1194066"	57.6767513333333	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+3Na"	68.967654
"1665430"	173.057288	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Na+HCOOH"	68.994688
"170532"	285.04424	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+2K-H"	76.91904
"612281"	389.10684	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+2K-H"	76.91904
"1094606"	180.98164	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2K-H"	76.91904
"149234"	143.025758	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"2M+2K"	77.926316
"592074"	195.057058	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"3M+2K"	77.926316
"1072209"	90.994458	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2K"	77.926316
"1104329"	182.996192	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2K+H"	78.933592
"1341807"	183.083807	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+DMSO+H"	79.021207
"1010705"	187.122976	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2ACN+H"	83.060376
"1531746"	188.116608	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+IsoProp+Na+H"	84.054008
"994915"	94.065126	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+2ACN+2H"	84.067652
"1592699"	189.031228	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+K+HCOOH"	84.968628
"1422738"	219.062738	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+H+CF3COOH"	115.000138
"1160689"	114.578401	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+3ACN+2H"	125.094202
"1710238"	236.089285	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+NH4+CF3COOH"	132.026685
"1648804"	241.04468	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+Na+CF3COOH"	136.98208
"1582630"	257.01862	"C07083"	"Styrene;Phenylethylene"	"C8H8"	"104.0626"	"M+K+CF3COOH"	152.95602
"803154"	138.0681	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M"	0
"979967"	119.04971	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-H2O-H"	-19.01839
"69302"	91.038124	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M-3H"	-3.021828
"508861"	137.060824	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M-3H"	-3.021828
"885569"	45.015424	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-3H"	-3.021828
"9613"	137.060824	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H"	-2.014552
"446984"	206.094874	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H"	-2.014552
"825883"	68.026774	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-2H"	-2.014552
"90247"	275.128924	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M-H"	-1.007276
"527620"	413.197024	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M-H"	-1.007276
"904328"	137.060824	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-H"	-1.007276
"54330"	292.155471	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H+NH4"	16.019271
"490973"	430.223571	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H+NH4"	16.019271
"871693"	154.087371	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-2H+NH4"	16.019271
"38505"	297.110866	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H+Na"	20.974666
"480256"	435.178966	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H+Na"	20.974666
"858057"	159.042766	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-2H+Na"	20.974666
"1624309"	159.042766	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Na-2H"	20.974666
"97558"	155.049163	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M-H+Cl"	33.962126
"548788"	224.083213	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M-H+Cl"	33.962126
"942671"	86.015113	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-H+Cl"	33.962126
"276849"	311.105602	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+Cl"	34.969402
"673278"	449.173702	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+Cl"	34.969402
"1273291"	173.037502	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl"	34.969402
"18762"	313.084806	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M-2H+K"	36.948606
"460509"	451.152906	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M-2H+K"	36.948606
"836123"	175.016706	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-2H+K"	36.948606
"1556815"	175.016706	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+K-2H"	36.948606
"945308"	183.066294	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-H+HCOOH"	44.998194
"370086"	321.134401	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+HCOOH-H"	44.998201
"355065"	335.150051	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+Hac-H"	59.013851
"1501711"	197.081951	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Hac-H"	59.013851
"967063"	205.048251	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-H+NaCOOH"	66.980151
"120343"	173.037502	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+2Cl"	69.938804
"553344"	242.071552	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+2Cl"	69.938804
"1028702"	104.003452	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2Cl"	69.938804
"1244999"	216.986985	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Br"	78.918885
"1305264"	219.042972	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl+HCOOH"	80.974872
"1322761"	241.024929	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl+NaCOOH"	102.956829
"912727"	251.053686	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M-H+CF3COOH"	112.985586
"1289023"	287.030364	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Cl+CF3COOH"	148.962264
"1374159"	103.055424	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H-2H2O"	-35.012676
"1384122"	121.0654	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H-H2O"	-17.0027
"296811"	277.143476	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+H"	1.007276
"690327"	415.211576	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+H"	1.007276
"1366921"	139.075376	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H"	1.007276
"139563"	139.075376	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+2H"	2.014552
"568554"	208.109426	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+2H"	2.014552
"1043547"	70.041326	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2H"	2.014552
"208169"	93.052676	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+3H"	3.021828
"647004"	139.075376	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+3H"	3.021828
"1169139"	47.029976	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+3H"	3.021828
"433504"	294.170023	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+NH4"	18.033823
"789031"	432.238123	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+NH4"	18.033823
"1685722"	156.101923	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+NH4"	18.033823
"331814"	147.5886495	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+H+NH4"	19.041099
"726425"	216.6226995	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+H+NH4"	19.041099
"1478545"	78.5545995	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H+NH4"	19.041099
"394185"	299.125418	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+Na"	22.989218
"755543"	437.193518	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+Na"	22.989218
"1604490"	161.057318	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Na"	22.989218
"315865"	150.066347	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+H+Na"	23.996494
"709015"	219.100397	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+H+Na"	23.996494
"1461987"	81.032297	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H+Na"	23.996494
"1055725"	54.35729	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2H+Na"	25.00377
"1258255"	171.101586	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+CH3OH+H"	33.033486
"380721"	315.099358	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+K"	38.963158
"742813"	453.167458	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+K"	38.963158
"1549243"	177.031258	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+K"	38.963158
"309698"	158.053317	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+H+K"	39.970434
"699933"	227.087367	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+H+K"	39.970434
"1453756"	89.019267	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H+K"	39.970434
"243449"	318.170026	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+ACN+H"	42.033826
"1215431"	180.101926	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+ACN+H"	42.033826
"1200042"	90.554601	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+ACN+2H"	43.041102
"195466"	321.10736	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+2Na-H"	44.97116
"637948"	459.17546	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+2Na-H"	44.97116
"1139266"	183.03926	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2Na-H"	44.97116
"177451"	161.057318	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+2Na"	45.978436
"617014"	230.091368	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+2Na"	45.978436
"1116508"	92.023268	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2Na"	45.978436
"1400031"	61.684604	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H+2Na"	46.985712
"1430321"	185.080846	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H+HCOOH"	47.012746
"220500"	166.09034	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+3H2O+2H"	56.04448
"1510643"	199.13289	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+IsoProp+H"	61.06479
"413248"	169.044288	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+Na+K"	61.952376
"770596"	238.078338	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+Na+K"	61.952376
"1670575"	100.010238	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Na+K"	61.952376
"253813"	340.151968	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+ACN+Na"	64.015768
"1231263"	202.083868	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+ACN+Na"	64.015768
"1728387"	202.107393	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+NH4+HCOOH"	64.039293
"1194100"	69.011918	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+3Na"	68.967654
"1665251"	207.062788	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Na+HCOOH"	68.994688
"171736"	353.05524	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+2K-H"	76.91904
"605830"	491.12334	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+2K-H"	76.91904
"1094716"	214.98714	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2K-H"	76.91904
"149344"	177.031258	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"2M+2K"	77.926316
"592184"	246.065308	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"3M+2K"	77.926316
"1071227"	107.997208	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2K"	77.926316
"1103710"	217.001692	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2K+H"	78.933592
"1341915"	217.089307	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+DMSO+H"	79.021207
"1009721"	221.128476	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2ACN+H"	83.060376
"1530763"	222.122108	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+IsoProp+Na+H"	84.054008
"994296"	111.067876	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+2ACN+2H"	84.067652
"1591715"	223.036728	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+K+HCOOH"	84.968628
"1422848"	253.068238	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+H+CF3COOH"	115.000138
"1160799"	131.581151	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+3ACN+2H"	125.094202
"1711443"	270.094785	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+NH4+CF3COOH"	132.026685
"1648185"	275.05018	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+Na+CF3COOH"	136.98208
"1582740"	291.02412	"C07084"	"Styrene-cis-23-dihydrodiol;cis-3-Ethenylcyclohexa-35-diene-12-diol"	"C8H10O2"	"138.0681"	"M+K+CF3COOH"	152.95602
"803264"	136.0524	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M"	0
"980077"	117.03401	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"63337"	89.694324	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"507877"	135.045124	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"887865"	44.343524	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"8628"	135.045124	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"447094"	203.071324	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"823806"	67.018924	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"85983"	271.097524	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"527730"	407.149924	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"903344"	135.045124	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"51884"	288.124071	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"489985"	424.176471	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"871803"	152.071671	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"37522"	293.079466	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"479273"	429.131866	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"857074"	157.027066	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1625512"	157.027066	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"96575"	153.033463	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"549148"	221.059663	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"941565"	85.007263	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"280723"	307.074202	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"672538"	443.126602	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1273440"	171.021802	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"23245"	309.053406	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"460619"	445.105806	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"836233"	173.001006	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1557532"	173.001006	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"945418"	181.050594	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"370195"	317.103001	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"355175"	331.118651	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1500726"	195.066251	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"963892"	203.032551	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"120452"	171.021802	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"553454"	239.048002	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1028812"	102.995602	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1246202"	214.971285	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1305495"	217.027272	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1322871"	239.009229	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"912228"	249.037986	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1289660"	285.014664	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1374269"	101.039724	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1384353"	119.0497	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"295830"	273.112076	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"682781"	409.164476	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1363507"	137.059676	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"134206"	137.059676	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"568299"	205.085876	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1040376"	69.033476	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"208279"	91.708876	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"647476"	137.059676	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1169249"	46.358076	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"429239"	290.138623	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"790233"	426.191023	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1687654"	154.086223	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"335202"	145.5729495	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"726170"	213.5991495	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1478899"	77.5467495	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"393811"	295.094018	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"757479"	431.146418	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1606669"	159.041618	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"315008"	148.050647	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"708640"	216.076847	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1462101"	80.024447	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1054863"	53.68539	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1258361"	169.085886	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"379009"	311.067958	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"743651"	447.120358	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1546074"	175.015558	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"305800"	156.037617	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"698949"	224.063817	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1452043"	88.011417	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"240643"	314.138626	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1212986"	178.086226	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1196140"	89.546751	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"190471"	317.07596	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"638058"	453.12836	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1137188"	181.02356	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"176468"	159.041618	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"618214"	227.067818	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1116618"	91.015418	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1400140"	61.012704	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1430431"	183.065146	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"221215"	164.07464	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1510752"	197.11719	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"413358"	167.028588	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"770705"	235.054788	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1666672"	99.002388	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"252945"	336.120568	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1233559"	200.068168	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1726824"	200.091693	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1192907"	68.340018	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1665504"	205.047088	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"171604"	349.02384	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"603753"	485.07624	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1091546"	212.97144	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"149454"	175.015558	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"589013"	243.041758	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1070244"	106.989358	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1103456"	214.985992	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1339839"	215.073607	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1010925"	219.112776	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1530873"	220.106408	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"993313"	110.060026	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1590732"	221.021028	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1422958"	251.052538	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1160908"	130.573301	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1711918"	268.079085	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1648294"	273.03448	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1582850"	289.00842	"C07085"	"3-Vinylcatechol"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"803374"	136.0524	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M"	0
"980187"	117.03401	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"66241"	89.694324	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"509080"	135.045124	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"892351"	44.343524	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"10927"	135.045124	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"452672"	203.071324	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"829382"	67.018924	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"86094"	271.097524	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"526747"	407.149924	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"907828"	135.045124	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"54548"	288.124071	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"490828"	424.176471	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"868994"	152.071671	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"39818"	293.079466	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"481568"	429.131866	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"859371"	157.027066	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1628904"	157.027066	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"102151"	153.033463	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"548767"	221.059663	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"940824"	85.007263	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"280713"	307.074202	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"671676"	443.126602	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1277520"	171.021802	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"17888"	309.053406	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"458543"	445.105806	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"835250"	173.001006	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1559832"	173.001006	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"948810"	181.050594	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"368120"	317.103001	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"352005"	331.118651	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1499743"	195.066251	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"969471"	203.032551	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"121658"	171.021802	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"555751"	239.048002	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1025643"	102.995602	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1250690"	214.971285	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1305483"	217.027272	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1322981"	239.009229	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"914040"	249.037986	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1288922"	285.014664	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1375472"	101.039724	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1387500"	119.0497	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"294844"	273.112076	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"681798"	409.164476	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1365440"	137.059676	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"133223"	137.059676	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"568047"	205.085876	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1043038"	69.033476	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"207659"	91.708876	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"647586"	137.059676	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1169359"	46.358076	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"427527"	290.138623	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"791438"	426.191023	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1685944"	154.086223	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"332765"	145.5729495	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"725552"	213.5991495	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1480103"	77.5467495	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"397688"	295.094018	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"757589"	431.146418	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1604594"	159.041618	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"315235"	148.050647	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"708508"	216.076847	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1465252"	80.024447	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1054244"	53.68539	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1257990"	169.085886	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"383129"	311.067958	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"746314"	447.120358	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1546186"	175.015558	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"306640"	156.037617	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"699063"	224.063817	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1455068"	88.011417	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"240753"	314.138626	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1214191"	178.086226	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1201355"	89.546751	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"190945"	317.07596	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"637075"	453.12836	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1138393"	181.02356	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"178401"	159.041618	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"617231"	227.067818	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1117213"	91.015418	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1401349"	61.012704	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1432729"	183.065146	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"221329"	164.07464	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1513781"	197.11719	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"412375"	167.028588	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"771179"	235.054788	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1667510"	99.002388	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"252205"	336.120568	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1233305"	200.068168	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1727788"	200.091693	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1191923"	68.340018	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1664739"	205.047088	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"171961"	349.02384	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"604957"	485.07624	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1092749"	212.97144	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"155762"	175.015558	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"593498"	243.041758	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1075821"	106.989358	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1107940"	214.985992	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1339950"	215.073607	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1012858"	219.112776	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1530983"	220.106408	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"991964"	110.060026	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1590842"	221.021028	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1416499"	251.052538	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1158830"	130.573301	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1709474"	268.079085	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1648404"	273.03448	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1582960"	289.00842	"C07086"	"Phenylacetic acid;Benzylformic acid;Phenylacetate;Benzeneacetic acid"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"804577"	168.0423	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M"	0
"982483"	149.02391	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"69633"	111.020924	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"513564"	167.035024	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"892460"	55.006824	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"15047"	167.035024	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"452782"	251.056174	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"831678"	83.013874	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"91670"	335.077324	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"524670"	503.119624	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"905751"	167.035024	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"54658"	352.103871	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"490938"	520.146171	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"870927"	184.061571	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"39928"	357.059266	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"483864"	525.101566	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"855104"	189.016966	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1631200"	189.016966	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"98981"	185.023363	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"549527"	269.044513	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"940813"	101.002213	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"282200"	371.054002	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"673972"	539.096302	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1282000"	203.011702	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"18119"	373.033206	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"459746"	541.075506	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"834630"	204.990906	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1559944"	204.990906	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"945640"	213.040494	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"370417"	381.082801	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"355394"	395.098451	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1500946"	227.056151	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"971404"	235.022451	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"118488"	203.011702	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"555861"	287.032852	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1029033"	118.990552	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1251894"	246.961185	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1307782"	249.017172	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1326371"	270.999129	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"917430"	281.027886	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1290126"	317.004564	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1376675"	133.029624	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1387610"	151.0396	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"294954"	337.091876	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"684094"	505.134176	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1363000"	169.049576	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"136613"	169.049576	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"568886"	253.070726	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1044971"	85.028426	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"207772"	113.035476	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"650249"	169.049576	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1168376"	57.021376	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"429460"	354.118423	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"791548"	522.160723	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1685689"	186.076123	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"331052"	177.5628495	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"726027"	261.5839995	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1481305"	93.5416995	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"395612"	359.073818	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"754500"	527.116118	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1603971"	191.031518	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"314740"	180.040547	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"708496"	264.061697	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1464268"	96.019397	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1054597"	64.34869	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1258100"	201.075786	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"385426"	375.047758	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"747517"	543.090058	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1548481"	207.005458	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"310028"	188.027517	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"700263"	272.048667	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1452991"	104.006367	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"243778"	378.118426	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1214666"	210.076126	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1202558"	105.541701	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"192149"	381.05576	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"637185"	549.09806	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1138503"	213.01346	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"178511"	191.031518	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"617341"	275.052668	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1117568"	107.010368	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1401823"	71.676004	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1431021"	215.055046	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"220588"	196.06454	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1516077"	229.10709	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"416857"	199.018488	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"771289"	283.039638	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1666158"	114.997338	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"253045"	400.100368	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1227943"	232.058068	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1725588"	232.081593	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1190941"	79.003318	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1664603"	237.036988	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"172069"	413.00364	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"606160"	581.04594	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1095045"	244.96134	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"153684"	207.005458	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"593608"	291.026608	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1075931"	122.984308	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1108050"	246.975892	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1340059"	247.063507	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1010781"	251.102676	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1531093"	252.096308	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"991710"	126.054976	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1593139"	253.010928	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1416609"	283.042438	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1149088"	146.568251	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1704113"	300.068985	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1648150"	305.02438	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1583070"	320.99832	"C07087"	"2-Hydroxy-6-oxoocta-247-trienoate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"803594"	186.0084	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M"	0
"980407"	166.99001	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-H2O-H"	-19.01839
"69743"	122.998324	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M-3H"	-3.021828
"509301"	185.001124	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M-3H"	-3.021828
"890383"	60.995524	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-3H"	-3.021828
"6771"	185.001124	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M-2H"	-2.014552
"450706"	278.005324	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M-2H"	-2.014552
"831424"	91.996924	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-2H"	-2.014552
"88500"	371.009524	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M-H"	-1.007276
"524779"	557.017924	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M-H"	-1.007276
"904768"	185.001124	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-H"	-1.007276
"51852"	388.036071	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M-2H+NH4"	16.019271
"489953"	574.044471	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M-2H+NH4"	16.019271
"873224"	202.027671	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-2H+NH4"	16.019271
"34925"	392.991466	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M-2H+Na"	20.974666
"472786"	578.999866	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M-2H+Na"	20.974666
"851196"	206.983066	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-2H+Na"	20.974666
"1626937"	206.983066	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Na-2H"	20.974666
"97998"	202.989463	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M-H+Cl"	33.962126
"543027"	295.993663	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M-H+Cl"	33.962126
"933260"	109.985263	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-H+Cl"	33.962126
"278378"	406.986202	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+Cl"	34.969402
"668614"	592.994602	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+Cl"	34.969402
"1281017"	220.977802	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Cl"	34.969402
"18106"	408.965406	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M-2H+K"	36.948606
"458759"	594.973806	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M-2H+K"	36.948606
"834375"	222.957006	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-2H+K"	36.948606
"1556769"	222.957006	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+K-2H"	36.948606
"944655"	231.006594	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-H+HCOOH"	44.998194
"365059"	417.015001	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+HCOOH-H"	44.998201
"351130"	431.030651	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+Hac-H"	59.013851
"1496682"	245.022251	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Hac-H"	59.013851
"966410"	252.988551	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-H+NaCOOH"	66.980151
"116411"	220.977802	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+2Cl"	69.938804
"555971"	313.982002	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+2Cl"	69.938804
"1028050"	127.973602	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2Cl"	69.938804
"1247630"	264.927285	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Br"	78.918885
"1308985"	266.983272	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Cl+HCOOH"	80.974872
"1324294"	288.965229	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Cl+NaCOOH"	102.956829
"917540"	298.993986	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M-H+CF3COOH"	112.985586
"1288819"	334.970664	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Cl+CF3COOH"	148.962264
"1376785"	150.995724	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H-2H2O"	-35.012676
"1387720"	169.0057	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H-H2O"	-17.0027
"296524"	373.024076	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+H"	1.007276
"686391"	559.032476	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+H"	1.007276
"1364205"	187.015676	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H"	1.007276
"138183"	187.015676	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+2H"	2.014552
"568632"	280.019876	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+2H"	2.014552
"1045081"	94.011476	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2H"	2.014552
"208611"	125.012876	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+3H"	3.021828
"652546"	187.015676	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+3H"	3.021828
"1171766"	63.010076	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+3H"	3.021828
"426290"	390.050623	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+NH4"	18.033823
"787645"	576.059023	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+NH4"	18.033823
"1682519"	204.042223	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+NH4"	18.033823
"334441"	195.5289495	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+H+NH4"	19.041099
"725773"	288.5331495	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+H+NH4"	19.041099
"1481416"	102.5247495	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H+NH4"	19.041099
"396815"	395.006018	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+Na"	22.989218
"754296"	581.014418	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+Na"	22.989218
"1603110"	208.997618	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Na"	22.989218
"314288"	198.006647	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+H+Na"	23.996494
"708364"	291.010847	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+H+Na"	23.996494
"1461825"	105.002447	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H+Na"	23.996494
"1053856"	70.33739	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2H+Na"	25.00377
"1257481"	219.041886	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+CH3OH+H"	33.033486
"386629"	410.979958	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+K"	38.963158
"746534"	596.988358	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+K"	38.963158
"1548586"	224.971558	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+K"	38.963158
"306855"	205.993617	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+H+K"	39.970434
"699277"	298.997817	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+H+K"	39.970434
"1452007"	112.989417	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H+K"	39.970434
"240608"	414.050626	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+ACN+H"	42.033826
"1215505"	228.042226	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+ACN+H"	42.033826
"1201575"	114.524751	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+ACN+2H"	43.041102
"193352"	416.98796	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+2Na-H"	44.97116
"631818"	602.99636	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+2Na-H"	44.97116
"1140796"	230.97956	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2Na-H"	44.97116
"175699"	208.997618	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+2Na"	45.978436
"615263"	302.001818	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+2Na"	45.978436
"1116218"	115.993418	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2Na"	45.978436
"1399623"	77.664704	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H+2Na"	46.985712
"1434050"	233.021146	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H+HCOOH"	47.012746
"220415"	214.03064	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+3H2O+2H"	56.04448
"1513271"	247.07319	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+IsoProp+H"	61.06479
"413687"	216.984588	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+Na+K"	61.952376
"770913"	309.988788	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+Na+K"	61.952376
"1665904"	123.980388	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Na+K"	61.952376
"252548"	436.032568	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+ACN+Na"	64.015768
"1228417"	250.024168	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+ACN+Na"	64.015768
"1723875"	250.047693	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+NH4+HCOOH"	64.039293
"1188135"	84.992018	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+3Na"	68.967654
"1664224"	255.003088	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Na+HCOOH"	68.994688
"172178"	448.93584	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+2K-H"	76.91904
"604083"	634.94424	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+2K-H"	76.91904
"1091875"	262.92744	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2K-H"	76.91904
"154158"	224.971558	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"2M+2K"	77.926316
"593718"	317.975758	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"3M+2K"	77.926316
"1077134"	131.967358	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2K"	77.926316
"1109253"	264.941992	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2K+H"	78.933592
"1341262"	265.029607	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+DMSO+H"	79.021207
"1010891"	269.068776	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2ACN+H"	83.060376
"1530109"	270.062408	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+IsoProp+Na+H"	84.054008
"991820"	135.038026	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+2ACN+2H"	84.067652
"1588873"	270.977028	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+K+HCOOH"	84.968628
"1416719"	301.008538	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+H+CF3COOH"	115.000138
"1149195"	155.551301	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+3ACN+2H"	125.094202
"1704223"	318.035085	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+NH4+CF3COOH"	132.026685
"1648260"	322.99048	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+Na+CF3COOH"	136.98208
"1583180"	338.96442	"C07088"	"4-Chlorophenoxyacetate;4-CPA"	"C8H7ClO3"	"186.0084"	"M+K+CF3COOH"	152.95602
"803704"	175.9876	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M"	0
"978330"	156.96921	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H2O-H"	-19.01839
"64386"	116.317790666667	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-3H"	-3.021828
"511598"	174.980324	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-3H"	-3.021828
"890493"	57.6552573333333	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-3H"	-3.021828
"6881"	174.980324	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H"	-2.014552
"450816"	262.974124	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H"	-2.014552
"830685"	86.986524	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H"	-2.014552
"90797"	350.967924	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-H"	-1.007276
"524889"	526.955524	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-H"	-1.007276
"904878"	174.980324	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H"	-1.007276
"57065"	367.994471	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H+NH4"	16.019271
"492251"	543.982071	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H+NH4"	16.019271
"873334"	192.006871	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H+NH4"	16.019271
"37223"	372.949866	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H+Na"	20.974666
"478608"	548.937466	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H+Na"	20.974666
"852035"	196.962266	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H+Na"	20.974666
"1630328"	196.962266	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na-2H"	20.974666
"101388"	192.968663	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-H+Cl"	33.962126
"543137"	280.962463	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-H+Cl"	33.962126
"935557"	104.974863	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+Cl"	33.962126
"277395"	386.944602	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Cl"	34.969402
"669818"	562.932202	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+Cl"	34.969402
"1282221"	210.957002	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl"	34.969402
"25871"	388.923806	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H+K"	36.948606
"465429"	564.911406	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H+K"	36.948606
"838859"	212.936206	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H+K"	36.948606
"1562347"	212.936206	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K-2H"	36.948606
"946952"	220.985794	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+HCOOH"	44.998194
"369541"	396.973401	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+HCOOH-H"	44.998201
"349418"	410.989051	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Hac-H"	59.013851
"1496792"	235.001451	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Hac-H"	59.013851
"967613"	242.967751	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+NaCOOH"	66.980151
"118708"	210.957002	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2Cl"	69.938804
"559361"	298.950802	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2Cl"	69.938804
"1028160"	122.963202	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2Cl"	69.938804
"1247740"	254.906485	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Br"	78.918885
"1309095"	256.962472	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl+HCOOH"	80.974872
"1324404"	278.944429	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl+NaCOOH"	102.956829
"915463"	288.973186	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+CF3COOH"	112.985586
"1289619"	324.949864	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl+CF3COOH"	148.962264
"1372521"	140.974924	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H-2H2O"	-35.012676
"1384914"	158.9849	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H-H2O"	-17.0027
"296998"	352.982476	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H"	1.007276
"686501"	528.970076	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H"	1.007276
"1364316"	176.994876	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H"	1.007276
"137567"	176.994876	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2H"	2.014552
"577125"	264.988676	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2H"	2.014552
"1046285"	89.001076	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2H"	2.014552
"212001"	118.332342666667	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+3H"	3.021828
"651563"	176.994876	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+3H"	3.021828
"1170783"	59.6698093333333	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+3H"	3.021828
"430771"	370.009023	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+NH4"	18.033823
"791768"	545.996623	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+NH4"	18.033823
"1686276"	194.021423	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+NH4"	18.033823
"334552"	185.5081495	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H+NH4"	19.041099
"728800"	273.5019495	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H+NH4"	19.041099
"1485900"	97.5143495	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+NH4"	19.041099
"398019"	374.964418	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Na"	22.989218
"761201"	550.952018	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+Na"	22.989218
"1603834"	198.976818	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na"	22.989218
"317151"	187.985847	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H+Na"	23.996494
"708840"	275.979647	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H+Na"	23.996494
"1462178"	99.992047	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+Na"	23.996494
"1053359"	66.9971233333333	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2H+Na"	25.00377
"1259051"	209.021086	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+CH3OH+H"	33.033486
"383459"	390.938358	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+K"	38.963158
"747737"	566.925958	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+K"	38.963158
"1547602"	214.950758	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K"	38.963158
"302591"	195.972817	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H+K"	39.970434
"696105"	283.966617	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H+K"	39.970434
"1452116"	107.979017	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+K"	39.970434
"238531"	394.009026	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+ACN+H"	42.033826
"1216709"	218.021426	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+ACN+H"	42.033826
"1199499"	109.514351	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+ACN+2H"	43.041102
"194556"	396.94636	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2Na-H"	44.97116
"631199"	572.93396	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2Na-H"	44.97116
"1137627"	220.95876	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2Na-H"	44.97116
"177269"	198.976818	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2Na"	45.978436
"616468"	286.970618	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2Na"	45.978436
"1120703"	110.983018	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2Na"	45.978436
"1406418"	74.3244373333333	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+2Na"	46.985712
"1433067"	223.000346	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+HCOOH"	47.012746
"221178"	204.00984	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+3H2O+2H"	56.04448
"1513017"	237.05239	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+IsoProp+H"	61.06479
"413797"	206.963788	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Na+K"	61.952376
"771876"	294.957588	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+Na+K"	61.952376
"1666137"	118.969988	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na+K"	61.952376
"253266"	415.990968	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+ACN+Na"	64.015768
"1229256"	240.003368	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+ACN+Na"	64.015768
"1720334"	240.026893	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+NH4+HCOOH"	64.039293
"1188609"	81.6517513333333	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+3Na"	68.967654
"1659958"	244.982288	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na+HCOOH"	68.994688
"164632"	428.89424	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2K-H"	76.91904
"606380"	604.88184	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2K-H"	76.91904
"1093079"	252.90664	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2K-H"	76.91904
"153175"	214.950758	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2K"	77.926316
"593828"	302.944558	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2K"	77.926316
"1077244"	126.956958	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2K"	77.926316
"1103896"	254.921192	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2K+H"	78.933592
"1343559"	255.008807	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+DMSO+H"	79.021207
"1006138"	259.047976	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2ACN+H"	83.060376
"1525843"	260.041608	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+IsoProp+Na+H"	84.054008
"991566"	130.027626	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2ACN+2H"	84.067652
"1587278"	260.956228	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K+HCOOH"	84.968628
"1414763"	290.987738	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+CF3COOH"	115.000138
"1147279"	150.540901	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+3ACN+2H"	125.094202
"1704333"	308.014285	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+NH4+CF3COOH"	132.026685
"1648370"	312.96968	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na+CF3COOH"	136.98208
"1583290"	328.94362	"C07089"	"5-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K+CF3COOH"	152.95602
"803814"	96.0211	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M"	0
"978440"	77.00271	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-H2O-H"	-19.01839
"67776"	63.0067906666667	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M-3H"	-3.021828
"514990"	95.013824	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M-3H"	-3.021828
"891697"	30.9997573333333	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-3H"	-3.021828
"10271"	95.013824	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M-2H"	-2.014552
"454698"	143.024374	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M-2H"	-2.014552
"829823"	47.003274	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-2H"	-2.014552
"92614"	191.034924	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M-H"	-1.007276
"532290"	287.056024	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M-H"	-1.007276
"908516"	95.013824	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-H"	-1.007276
"60702"	208.061471	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M-2H+NH4"	16.019271
"502208"	304.082571	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M-2H+NH4"	16.019271
"878429"	112.040371	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-2H+NH4"	16.019271
"45358"	213.016866	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M-2H+Na"	20.974666
"477626"	309.037966	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M-2H+Na"	20.974666
"853603"	116.995766	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-2H+Na"	20.974666
"1626063"	116.995766	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Na-2H"	20.974666
"98217"	113.002163	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M-H+Cl"	33.962126
"543247"	161.012713	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M-H+Cl"	33.962126
"928376"	64.991613	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-H+Cl"	33.962126
"272037"	227.011602	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+Cl"	34.969402
"668835"	323.032702	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+Cl"	34.969402
"1277957"	130.990502	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Cl"	34.969402
"23793"	228.990806	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M-2H+K"	36.948606
"461166"	325.011906	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M-2H+K"	36.948606
"833624"	132.969706	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-2H+K"	36.948606
"1560271"	132.969706	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+K-2H"	36.948606
"945968"	141.019294	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-H+HCOOH"	44.998194
"370744"	237.040401	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+HCOOH-H"	44.998201
"356454"	251.056051	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+Hac-H"	59.013851
"1505650"	155.034951	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Hac-H"	59.013851
"968817"	163.001251	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-H+NaCOOH"	66.980151
"121006"	130.990502	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+2Cl"	69.938804
"558378"	179.001052	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+2Cl"	69.938804
"1029363"	82.979952	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2Cl"	69.938804
"1252224"	174.939985	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Br"	78.918885
"1312485"	176.995972	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Cl+HCOOH"	80.974872
"1325608"	198.977929	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Cl+NaCOOH"	102.956829
"916665"	209.006686	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M-H+CF3COOH"	112.985586
"1291187"	244.983364	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Cl+CF3COOH"	148.962264
"1371538"	61.008424	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H-2H2O"	-35.012676
"1385754"	79.0184	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H-H2O"	-17.0027
"295284"	193.049476	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+H"	1.007276
"686611"	289.070576	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+H"	1.007276
"1365885"	97.028376	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H"	1.007276
"138768"	97.028376	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+2H"	2.014552
"577600"	145.038926	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+2H"	2.014552
"1046395"	49.017826	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2H"	2.014552
"211018"	65.0213426666667	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+3H"	3.021828
"651673"	97.028376	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+3H"	3.021828
"1167613"	33.0143093333333	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+3H"	3.021828
"429792"	210.076023	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+NH4"	18.033823
"794064"	306.097123	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+NH4"	18.033823
"1688208"	114.054923	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+NH4"	18.033823
"333205"	105.5416495	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+H+NH4"	19.041099
"731097"	153.5521995	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+H+NH4"	19.041099
"1488197"	57.5310995	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H+NH4"	19.041099
"402503"	215.031418	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+Na"	22.989218
"766778"	311.052518	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+Na"	22.989218
"1605039"	119.010318	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Na"	22.989218
"319449"	108.019347	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+H+Na"	23.996494
"710774"	156.029897	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+H+Na"	23.996494
"1461678"	60.008797	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H+Na"	23.996494
"1053062"	40.3416233333333	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2H+Na"	25.00377
"1259161"	129.054586	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+CH3OH+H"	33.033486
"383569"	231.005358	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+K"	38.963158
"750033"	327.026458	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+K"	38.963158
"1548805"	134.984258	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+K"	38.963158
"304888"	116.006317	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+H+K"	39.970434
"699498"	164.016867	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+H+K"	39.970434
"1451132"	67.995767	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H+K"	39.970434
"244109"	234.076026	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+ACN+H"	42.033826
"1217911"	138.054926	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+ACN+H"	42.033826
"1202889"	69.531101	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+ACN+2H"	43.041102
"194666"	237.01336	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+2Na-H"	44.97116
"632039"	333.03446	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+2Na-H"	44.97116
"1137737"	140.99226	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2Na-H"	44.97116
"176285"	119.010318	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+2Na"	45.978436
"615847"	167.020868	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+2Na"	45.978436
"1119719"	70.999768	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2Na"	45.978436
"1401059"	47.6689373333333	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H+2Na"	46.985712
"1433175"	143.033846	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H+HCOOH"	47.012746
"220479"	124.04334	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+3H2O+2H"	56.04448
"1513127"	157.08589	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+IsoProp+H"	61.06479
"416094"	126.997288	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+Na+K"	61.952376
"774902"	175.007838	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+Na+K"	61.952376
"1666735"	78.986738	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Na+K"	61.952376
"252649"	256.057968	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+ACN+Na"	64.015768
"1227545"	160.036868	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+ACN+Na"	64.015768
"1720444"	160.060393	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+NH4+HCOOH"	64.039293
"1188719"	54.9962513333333	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+3Na"	68.967654
"1656787"	165.015788	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Na+HCOOH"	68.994688
"168021"	268.96124	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+2K-H"	76.91904
"608677"	364.98234	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+2K-H"	76.91904
"1093190"	172.94014	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2K-H"	76.91904
"153285"	134.984258	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"2M+2K"	77.926316
"591750"	182.994808	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"3M+2K"	77.926316
"1080634"	86.973708	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2K"	77.926316
"1109472"	174.954692	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2K+H"	78.933592
"1341483"	175.042307	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+DMSO+H"	79.021207
"1011111"	179.081476	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2ACN+H"	83.060376
"1527413"	180.075108	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+IsoProp+Na+H"	84.054008
"992405"	90.044376	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+2ACN+2H"	84.067652
"1589093"	180.989728	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+K+HCOOH"	84.968628
"1415845"	211.021238	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+H+CF3COOH"	115.000138
"1148323"	110.557651	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+3ACN+2H"	125.094202
"1707723"	228.047785	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+NH4+CF3COOH"	132.026685
"1642280"	233.00318	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+Na+CF3COOH"	136.98208
"1583400"	248.97712	"C07090"	"Protoanemonin;4-Methylenebut-2-en-4-olide;cis-4-Methylenebut-2-en-4-olide"	"C5H4O2"	"96.0211"	"M+K+CF3COOH"	152.95602
"810485"	114.0317	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M"	0
"978550"	95.01331	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-H2O-H"	-19.01839
"65334"	75.0138573333333	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M-3H"	-3.021828
"518138"	113.024424	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M-3H"	-3.021828
"895374"	37.0032906666667	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-3H"	-3.021828
"7101"	113.024424	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M-2H"	-2.014552
"455049"	170.040274	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M-2H"	-2.014552
"831634"	56.008574	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-2H"	-2.014552
"93460"	227.056124	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M-H"	-1.007276
"532280"	341.087824	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M-H"	-1.007276
"911301"	113.024424	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-H"	-1.007276
"60933"	244.082671	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M-2H+NH4"	16.019271
"500127"	358.114371	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M-2H+NH4"	16.019271
"875378"	130.050971	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-2H+NH4"	16.019271
"43645"	249.038066	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M-2H+Na"	20.974666
"481015"	363.069766	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M-2H+Na"	20.974666
"854442"	135.006366	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-2H+Na"	20.974666
"1628359"	135.006366	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Na-2H"	20.974666
"99420"	131.012763	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M-H+Cl"	33.962126
"545543"	188.028613	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M-H+Cl"	33.962126
"928850"	73.996913	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-H+Cl"	33.962126
"274333"	263.032802	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+Cl"	34.969402
"668944"	377.064502	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+Cl"	34.969402
"1281347"	149.001102	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Cl"	34.969402
"24996"	265.012006	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M-2H+K"	36.948606
"464555"	379.043706	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M-2H+K"	36.948606
"835800"	150.980306	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-2H+K"	36.948606
"1559288"	150.980306	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+K-2H"	36.948606
"947171"	159.029894	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-H+HCOOH"	44.998194
"370854"	273.061601	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+HCOOH-H"	44.998201
"358751"	287.077251	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+Hac-H"	59.013851
"1507908"	173.045551	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Hac-H"	59.013851
"971113"	181.011851	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-H+NaCOOH"	66.980151
"122209"	149.001102	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+2Cl"	69.938804
"559581"	206.016952	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+2Cl"	69.938804
"1029473"	91.985252	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2Cl"	69.938804
"1252334"	192.950585	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Br"	78.918885
"1315875"	195.006572	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Cl+HCOOH"	80.974872
"1330091"	216.988529	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Cl+NaCOOH"	102.956829
"918963"	227.017286	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M-H+CF3COOH"	112.985586
"1297857"	262.993964	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Cl+CF3COOH"	148.962264
"1377115"	79.019024	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H-2H2O"	-35.012676
"1393517"	97.029	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H-H2O"	-17.0027
"295394"	229.070676	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+H"	1.007276
"686721"	343.102376	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+H"	1.007276
"1364167"	115.038976	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H"	1.007276
"137053"	115.038976	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+2H"	2.014552
"578076"	172.054826	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+2H"	2.014552
"1044318"	58.023126	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2H"	2.014552
"214408"	77.0284093333333	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+3H"	3.021828
"655063"	115.038976	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+3H"	3.021828
"1173190"	39.0178426666667	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+3H"	3.021828
"436462"	246.097223	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+NH4"	18.033823
"794174"	360.128923	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+NH4"	18.033823
"1691600"	132.065523	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+NH4"	18.033823
"338784"	123.5522495	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+H+NH4"	19.041099
"733393"	180.5680995	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+H+NH4"	19.041099
"1490496"	66.5363995	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H+NH4"	19.041099
"406260"	251.052618	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+Na"	22.989218
"768713"	365.084318	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+Na"	22.989218
"1613895"	137.020918	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Na"	22.989218
"320652"	126.029947	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+H+Na"	23.996494
"710886"	183.045797	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+H+Na"	23.996494
"1463981"	69.014097	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H+Na"	23.996494
"1052846"	46.3451566666667	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2H+Na"	25.00377
"1260730"	147.065186	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+CH3OH+H"	33.033486
"385866"	267.026558	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+K"	38.963158
"742487"	381.058258	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+K"	38.963158
"1545636"	152.994858	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+K"	38.963158
"303905"	134.016917	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+H+K"	39.970434
"698514"	191.032767	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+H+K"	39.970434
"1450147"	77.001067	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H+K"	39.970434
"238020"	270.097226	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+ACN+H"	42.033826
"1216927"	156.065526	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+ACN+H"	42.033826
"1200812"	78.536401	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+ACN+2H"	43.041102
"192589"	273.03456	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+2Na-H"	44.97116
"635429"	387.06626	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+2Na-H"	44.97116
"1140033"	159.00286	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2Na-H"	44.97116
"176030"	137.020918	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+2Na"	45.978436
"617415"	194.036768	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+2Na"	45.978436
"1118365"	80.005068	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2Na"	45.978436
"1399101"	53.6724706666667	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H+2Na"	46.985712
"1433285"	161.044446	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H+HCOOH"	47.012746
"221158"	142.05394	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+3H2O+2H"	56.04448
"1513237"	175.09649	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+IsoProp+H"	61.06479
"416204"	145.007888	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+Na+K"	61.952376
"775012"	202.023738	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+Na+K"	61.952376
"1668788"	87.992038	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Na+K"	61.952376
"254580"	292.079168	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+ACN+Na"	64.015768
"1231664"	178.047468	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+ACN+Na"	64.015768
"1721647"	178.070993	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+NH4+HCOOH"	64.039293
"1188093"	60.9997846666667	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+3Na"	68.967654
"1659079"	183.026388	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Na+HCOOH"	68.994688
"159013"	304.98244	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+2K-H"	76.91904
"607692"	419.01414	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+2K-H"	76.91904
"1094392"	190.95074	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2K-H"	76.91904
"149020"	152.994858	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"2M+2K"	77.926316
"589673"	210.010708	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"3M+2K"	77.926316
"1076370"	95.979008	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2K"	77.926316
"1108488"	192.965292	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2K+H"	78.933592
"1341592"	193.052907	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+DMSO+H"	79.021207
"1007941"	197.092076	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2ACN+H"	83.060376
"1529346"	198.085708	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+IsoProp+Na+H"	84.054008
"993611"	99.049676	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+2ACN+2H"	84.067652
"1589205"	199.000328	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+K+HCOOH"	84.968628
"1415959"	229.031838	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+H+CF3COOH"	115.000138
"1147297"	119.562951	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+3ACN+2H"	125.094202
"1709658"	246.058385	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+NH4+CF3COOH"	132.026685
"1647858"	251.01378	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+Na+CF3COOH"	136.98208
"1583510"	266.98772	"C07091"	"cis-Acetylacrylate"	"C5H6O3"	"114.0317"	"M+K+CF3COOH"	152.95602
"807314"	145.969	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M"	0
"978660"	126.95061	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H2O-H"	-19.01839
"67996"	96.3053906666667	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-3H"	-3.021828
"516302"	144.961724	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-3H"	-3.021828
"894713"	47.6490573333333	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-3H"	-3.021828
"13772"	144.961724	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H"	-2.014552
"455242"	217.946224	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H"	-2.014552
"831503"	71.977224	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H"	-2.014552
"93929"	290.930724	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-H"	-1.007276
"532632"	436.899724	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-H"	-1.007276
"910193"	144.961724	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H"	-1.007276
"62817"	307.957271	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+NH4"	16.019271
"502595"	453.926271	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+NH4"	16.019271
"877676"	161.988271	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+NH4"	16.019271
"47130"	312.912666	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+Na"	20.974666
"481125"	458.881666	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+Na"	20.974666
"855647"	166.943666	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+Na"	20.974666
"1629562"	166.943666	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na-2H"	20.974666
"106090"	162.950063	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-H+Cl"	33.962126
"547476"	235.934563	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-H+Cl"	33.962126
"933698"	89.965563	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+Cl"	33.962126
"274443"	326.907402	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Cl"	34.969402
"673429"	472.876402	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Cl"	34.969402
"1286196"	180.938402	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl"	34.969402
"26929"	328.886606	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+K"	36.948606
"466852"	474.855606	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+K"	36.948606
"840283"	182.917606	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+K"	36.948606
"1564864"	182.917606	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K-2H"	36.948606
"948375"	190.967194	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+HCOOH"	44.998194
"373151"	336.936201	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+HCOOH-H"	44.998201
"360932"	350.951851	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Hac-H"	59.013851
"1508422"	204.982851	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Hac-H"	59.013851
"974019"	212.949151	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+NaCOOH"	66.980151
"120133"	180.938402	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Cl"	69.938804
"560785"	253.922902	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Cl"	69.938804
"1031770"	107.953902	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Cl"	69.938804
"1252444"	224.887885	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Br"	78.918885
"1314893"	226.943872	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+HCOOH"	80.974872
"1326920"	248.925829	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+NaCOOH"	102.956829
"922353"	258.954586	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+CF3COOH"	112.985586
"1296874"	294.931264	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+CF3COOH"	148.962264
"1379412"	110.956324	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H-2H2O"	-35.012676
"1396907"	128.9663	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H-H2O"	-17.0027
"294776"	292.945276	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H"	1.007276
"680269"	438.914276	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H"	1.007276
"1362087"	146.976276	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H"	1.007276
"136070"	146.976276	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2H"	2.014552
"579281"	219.960776	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2H"	2.014552
"1042241"	73.991776	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2H"	2.014552
"211238"	98.3199426666667	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+3H"	3.021828
"655173"	146.976276	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+3H"	3.021828
"1173300"	49.6636093333333	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3H"	3.021828
"436572"	309.971823	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+NH4"	18.033823
"798658"	455.940823	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+NH4"	18.033823
"1688428"	164.002823	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4"	18.033823
"341081"	155.4895495	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+NH4"	19.041099
"735691"	228.4740495	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+NH4"	19.041099
"1492598"	82.5050495	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+NH4"	19.041099
"408444"	314.927218	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Na"	22.989218
"769188"	460.896218	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Na"	22.989218
"1611818"	168.958218	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na"	22.989218
"322949"	157.967247	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+Na"	23.996494
"709902"	230.951747	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+Na"	23.996494
"1464091"	84.982747	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+Na"	23.996494
"1053440"	56.9909233333333	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2H+Na"	25.00377
"1263027"	179.002486	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+CH3OH+H"	33.033486
"387070"	330.901158	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+K"	38.963158
"742961"	476.870158	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+K"	38.963158
"1549026"	184.932158	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K"	38.963158
"302921"	165.954217	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+K"	39.970434
"697530"	238.938717	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+K"	39.970434
"1451351"	92.969717	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+K"	39.970434
"239222"	333.971826	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+ACN+H"	42.033826
"1220317"	188.002826	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+H"	42.033826
"1206389"	94.505051	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+2H"	43.041102
"193792"	336.90916	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Na-H"	44.97116
"634446"	482.87816	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Na-H"	44.97116
"1141236"	190.94016	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Na-H"	44.97116
"180151"	168.958218	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Na"	45.978436
"616430"	241.942718	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Na"	45.978436
"1119203"	95.973718	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Na"	45.978436
"1400060"	64.3182373333333	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+2Na"	46.985712
"1435583"	192.981746	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+HCOOH"	47.012746
"225279"	173.99124	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+3H2O+2H"	56.04448
"1516627"	207.03379	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+IsoProp+H"	61.06479
"419594"	176.945188	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Na+K"	61.952376
"775122"	249.929688	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Na+K"	61.952376
"1668534"	103.960688	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+K"	61.952376
"257971"	355.953768	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+ACN+Na"	64.015768
"1235054"	209.984768	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+Na"	64.015768
"1721757"	210.008293	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4+HCOOH"	64.039293
"1188203"	71.6455513333333	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3Na"	68.967654
"1662469"	214.963688	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+HCOOH"	68.994688
"166049"	368.85704	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2K-H"	76.91904
"604516"	514.82604	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2K-H"	76.91904
"1093409"	222.88804	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K-H"	76.91904
"151318"	184.932158	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2K"	77.926316
"589783"	257.916658	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2K"	77.926316
"1073200"	111.947658	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K"	77.926316
"1110785"	224.902592	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K+H"	78.933592
"1341703"	224.990207	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+DMSO+H"	79.021207
"1008051"	229.029376	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2ACN+H"	83.060376
"1527633"	230.023008	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+IsoProp+Na+H"	84.054008
"992993"	115.018326	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2ACN+2H"	84.067652
"1589315"	230.937628	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K+HCOOH"	84.968628
"1416069"	260.969138	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+CF3COOH"	115.000138
"1147569"	135.531601	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3ACN+2H"	125.094202
"1709768"	277.995685	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4+CF3COOH"	132.026685
"1647968"	282.95108	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+CF3COOH"	136.98208
"1583620"	298.92502	"C07092"	"14-Dichlorobenzene;p-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K+CF3COOH"	152.95602
"807424"	179.9745	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M"	0
"979863"	160.95611	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-H2O-H"	-19.01839
"71385"	118.975724	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M-3H"	-3.021828
"514226"	178.967224	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M-3H"	-3.021828
"893120"	58.984224	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-3H"	-3.021828
"15102"	178.967224	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M-2H"	-2.014552
"451261"	268.954474	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M-2H"	-2.014552
"832589"	88.979974	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-2H"	-2.014552
"94037"	358.941724	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M-H"	-1.007276
"534045"	538.916224	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M-H"	-1.007276
"910303"	178.967224	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-H"	-1.007276
"62707"	375.968271	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M-2H+NH4"	16.019271
"502256"	555.942771	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M-2H+NH4"	16.019271
"879533"	195.993771	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-2H+NH4"	16.019271
"46920"	380.923666	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M-2H+Na"	20.974666
"479050"	560.898166	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M-2H+Na"	20.974666
"857945"	200.949166	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-2H+Na"	20.974666
"1629672"	200.949166	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Na-2H"	20.974666
"100733"	196.955563	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M-H+Cl"	33.962126
"549043"	286.942813	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M-H+Cl"	33.962126
"933808"	106.968313	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-H+Cl"	33.962126
"274553"	394.918402	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+Cl"	34.969402
"675201"	574.892902	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+Cl"	34.969402
"1287035"	214.943902	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Cl"	34.969402
"27039"	396.897606	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M-2H+K"	36.948606
"468058"	576.872106	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M-2H+K"	36.948606
"842580"	216.923106	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-2H+K"	36.948606
"1567891"	216.923106	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+K-2H"	36.948606
"950670"	224.972694	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-H+HCOOH"	44.998194
"371805"	404.947201	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+HCOOH-H"	44.998201
"360795"	418.962851	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+Hac-H"	59.013851
"1507889"	238.988351	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Hac-H"	59.013851
"974054"	246.954651	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-H+NaCOOH"	66.980151
"123523"	214.943902	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+2Cl"	69.938804
"561989"	304.931152	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+2Cl"	69.938804
"1031882"	124.956652	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2Cl"	69.938804
"1254740"	258.893385	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Br"	78.918885
"1317189"	260.949372	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Cl+HCOOH"	80.974872
"1329217"	282.931329	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Cl+NaCOOH"	102.956829
"923192"	292.960086	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M-H+CF3COOH"	112.985586
"1294797"	328.936764	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Cl+CF3COOH"	148.962264
"1377334"	144.961824	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H-2H2O"	-35.012676
"1393737"	162.9718	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H-H2O"	-17.0027
"294519"	360.956276	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+H"	1.007276
"680379"	540.930776	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+H"	1.007276
"1362197"	180.981776	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H"	1.007276
"136180"	180.981776	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+2H"	2.014552
"575741"	270.969026	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+2H"	2.014552
"1044538"	90.994526	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2H"	2.014552
"213534"	120.990276	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+3H"	3.021828
"649816"	180.981776	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+3H"	3.021828
"1171223"	60.998776	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+3H"	3.021828
"432308"	377.982823	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+NH4"	18.033823
"794394"	557.957323	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+NH4"	18.033823
"1686351"	198.008323	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+NH4"	18.033823
"337911"	189.4950495	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+H+NH4"	19.041099
"736168"	279.4822995	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+H+NH4"	19.041099
"1488165"	99.5077995	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H+NH4"	19.041099
"407575"	382.938218	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+Na"	22.989218
"761643"	562.912718	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+Na"	22.989218
"1608647"	202.963718	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Na"	22.989218
"320871"	191.972747	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+H+Na"	23.996494
"709037"	281.959997	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+H+Na"	23.996494
"1461376"	101.985497	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H+Na"	23.996494
"1052936"	68.32609	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2H+Na"	25.00377
"1262044"	213.007986	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+CH3OH+H"	33.033486
"383899"	398.912158	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+K"	38.963158
"740155"	578.886658	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+K"	38.963158
"1545856"	218.937658	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+K"	38.963158
"300477"	199.959717	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+H+K"	39.970434
"698005"	289.946967	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+H+K"	39.970434
"1452557"	109.972467	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H+K"	39.970434
"242251"	401.982826	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+ACN+H"	42.033826
"1220427"	222.008326	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+ACN+H"	42.033826
"1206499"	111.507801	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+ACN+2H"	43.041102
"194995"	404.92016	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+2Na-H"	44.97116
"632366"	584.89466	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+2Na-H"	44.97116
"1141346"	224.94566	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2Na-H"	44.97116
"177346"	202.963718	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+2Na"	45.978436
"616537"	292.950968	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+2Na"	45.978436
"1117251"	112.976468	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2Na"	45.978436
"1402481"	75.653404	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H+2Na"	46.985712
"1440067"	226.987246	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H+HCOOH"	47.012746
"228670"	207.99674	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+3H2O+2H"	56.04448
"1516737"	241.03929	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+IsoProp+H"	61.06479
"419704"	210.950688	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+Na+K"	61.952376
"776325"	300.937938	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+Na+K"	61.952376
"1672655"	120.963438	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Na+K"	61.952376
"263915"	423.964768	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+ACN+Na"	64.015768
"1236258"	243.990268	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+ACN+Na"	64.015768
"1725147"	244.013793	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+NH4+HCOOH"	64.039293
"1190500"	82.980718	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+3Na"	68.967654
"1665568"	248.969188	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Na+HCOOH"	68.994688
"169439"	436.86804	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+2K-H"	76.91904
"607906"	616.84254	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+2K-H"	76.91904
"1097892"	256.89354	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2K-H"	76.91904
"156859"	218.937658	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"2M+2K"	77.926316
"590986"	308.924908	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"3M+2K"	77.926316
"1074403"	128.950408	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2K"	77.926316
"1109802"	258.908092	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2K+H"	78.933592
"1342906"	258.995707	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+DMSO+H"	79.021207
"1015815"	263.034876	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2ACN+H"	83.060376
"1531752"	264.028508	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+IsoProp+Na+H"	84.054008
"997107"	132.021076	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+2ACN+2H"	84.067652
"1590517"	264.943128	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+K+HCOOH"	84.968628
"1416179"	294.974638	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+H+CF3COOH"	115.000138
"1147679"	152.534351	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+3ACN+2H"	125.094202
"1709147"	312.001185	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+NH4+CF3COOH"	132.026685
"1639330"	316.95658	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+Na+CF3COOH"	136.98208
"1583730"	332.93052	"C07093"	"36-Dichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H6Cl2O2"	"179.9745"	"M+K+CF3COOH"	152.95602
"804254"	177.9588	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M"	0
"978880"	158.94041	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H2O-H"	-19.01839
"64935"	117.631924	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-3H"	-3.021828
"508869"	176.951524	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-3H"	-3.021828
"889950"	58.312324	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-3H"	-3.021828
"11806"	176.951524	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H"	-2.014552
"453557"	265.930924	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H"	-2.014552
"830995"	87.972124	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H"	-2.014552
"90256"	354.910324	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-H"	-1.007276
"532975"	532.869124	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-H"	-1.007276
"908711"	176.951524	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H"	-1.007276
"61266"	371.936871	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+NH4"	16.019271
"498272"	549.895671	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+NH4"	16.019271
"878261"	193.978071	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H+NH4"	16.019271
"42882"	376.892266	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+Na"	20.974666
"478066"	554.851066	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+Na"	20.974666
"854773"	198.933466	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H+Na"	20.974666
"1620298"	198.933466	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na-2H"	20.974666
"95007"	194.939863	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-H+Cl"	33.962126
"549032"	283.919263	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-H+Cl"	33.962126
"933918"	105.960463	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+Cl"	33.962126
"274663"	390.887002	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Cl"	34.969402
"673649"	568.845802	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+Cl"	34.969402
"1287023"	212.928202	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl"	34.969402
"24233"	392.866206	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M-2H+K"	36.948606
"465979"	570.825006	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M-2H+K"	36.948606
"840504"	214.907406	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-2H+K"	36.948606
"1562898"	214.907406	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K-2H"	36.948606
"947501"	222.956994	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+HCOOH"	44.998194
"371185"	400.915801	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+HCOOH-H"	44.998201
"356164"	414.931451	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Hac-H"	59.013851
"1508280"	236.972651	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Hac-H"	59.013851
"972173"	244.938951	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+NaCOOH"	66.980151
"123632"	212.928202	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2Cl"	69.938804
"562099"	301.907602	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2Cl"	69.938804
"1031992"	123.948802	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2Cl"	69.938804
"1254850"	256.877685	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Br"	78.918885
"1318392"	258.933672	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+HCOOH"	80.974872
"1329327"	280.915629	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+NaCOOH"	102.956829
"922573"	290.944386	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M-H+CF3COOH"	112.985586
"1296001"	326.921064	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Cl+CF3COOH"	148.962264
"1375257"	142.946124	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H-2H2O"	-35.012676
"1393847"	160.9561	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H-H2O"	-17.0027
"292442"	356.924876	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H"	1.007276
"679394"	534.883676	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H"	1.007276
"1362307"	178.966076	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H"	1.007276
"137383"	178.966076	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2H"	2.014552
"578402"	267.945476	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2H"	2.014552
"1042461"	89.986676	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2H"	2.014552
"212551"	119.646476	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+3H"	3.021828
"648103"	178.966076	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+3H"	3.021828
"1166959"	60.326876	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+3H"	3.021828
"429138"	373.951423	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+NH4"	18.033823
"791224"	551.910223	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+NH4"	18.033823
"1682450"	195.992623	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+NH4"	18.033823
"332917"	187.4793495	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H+NH4"	19.041099
"731537"	276.4587495	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H+NH4"	19.041099
"1483171"	98.4999495	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+NH4"	19.041099
"401849"	378.906818	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Na"	22.989218
"754947"	556.865618	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+Na"	22.989218
"1602919"	200.948018	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na"	22.989218
"315025"	189.957047	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H+Na"	23.996494
"708049"	278.936447	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H+Na"	23.996494
"1461505"	100.977647	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+Na"	23.996494
"1052889"	67.65419	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2H+Na"	25.00377
"1257281"	210.992286	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+CH3OH+H"	33.033486
"380729"	394.880758	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+K"	38.963158
"738841"	572.839558	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+K"	38.963158
"1542685"	216.921958	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K"	38.963158
"299857"	197.944017	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+H+K"	39.970434
"694104"	286.923417	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+H+K"	39.970434
"1449749"	108.964617	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+K"	39.970434
"239442"	397.951426	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+H"	42.033826
"1212152"	219.992626	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+H"	42.033826
"1202235"	110.499951	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+2H"	43.041102
"189630"	400.88876	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2Na-H"	44.97116
"631383"	578.84756	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2Na-H"	44.97116
"1138176"	222.92996	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2Na-H"	44.97116
"174904"	200.948018	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2Na"	45.978436
"615555"	289.927418	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2Na"	45.978436
"1117239"	111.968618	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2Na"	45.978436
"1398824"	74.981504	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+2Na"	46.985712
"1431428"	224.971546	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+HCOOH"	47.012746
"225500"	205.98104	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+3H2O+2H"	56.04448
"1513567"	239.02359	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+H"	61.06479
"411430"	208.934988	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+Na+K"	61.952376
"775340"	297.914388	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+Na+K"	61.952376
"1672764"	119.955588	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na+K"	61.952376
"261472"	419.933368	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+Na"	64.015768
"1237461"	241.974568	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+ACN+Na"	64.015768
"1725257"	241.998093	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+NH4+HCOOH"	64.039293
"1188423"	82.308818	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+3Na"	68.967654
"1661596"	246.953488	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na+HCOOH"	68.994688
"168456"	432.83664	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2K-H"	76.91904
"604736"	610.79544	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2K-H"	76.91904
"1092535"	254.87784	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2K-H"	76.91904
"150444"	216.921958	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"2M+2K"	77.926316
"591096"	305.901358	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"3M+2K"	77.926316
"1074513"	127.942558	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2K"	77.926316
"1107723"	256.892392	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2K+H"	78.933592
"1341923"	256.980007	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+DMSO+H"	79.021207
"1014832"	261.019176	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+H"	83.060376
"1529676"	262.012808	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+Na+H"	84.054008
"995030"	131.013226	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+2H"	84.067652
"1588805"	262.927428	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K+HCOOH"	84.968628
"1415073"	292.958938	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+H+CF3COOH"	115.000138
"1147666"	151.526501	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+3ACN+2H"	125.094202
"1710350"	309.985485	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+NH4+CF3COOH"	132.026685
"1639440"	314.94088	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+Na+CF3COOH"	136.98208
"1583840"	330.91482	"C07094"	"36-Dichlorocatechol"	"C6H4Cl2O2"	"177.9588"	"M+K+CF3COOH"	152.95602
"804364"	209.9487	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M"	0
"978990"	190.93031	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H2O-H"	-19.01839
"65045"	138.958524	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-3H"	-3.021828
"506792"	208.941424	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-3H"	-3.021828
"888966"	68.975624	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-3H"	-3.021828
"6449"	208.941424	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H"	-2.014552
"453666"	313.915774	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H"	-2.014552
"830372"	103.967074	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H"	-2.014552
"92068"	418.890124	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-H"	-1.007276
"532600"	628.838824	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-H"	-1.007276
"907727"	208.941424	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H"	-1.007276
"57728"	435.916671	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+NH4"	16.019271
"500205"	645.865371	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+NH4"	16.019271
"877280"	225.967971	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H+NH4"	16.019271
"40805"	440.872066	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+Na"	20.974666
"477082"	650.820766	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+Na"	20.974666
"852331"	230.923366	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H+Na"	20.974666
"1620043"	230.923366	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na-2H"	20.974666
"96576"	226.929763	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-H+Cl"	33.962126
"548170"	331.904113	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-H+Cl"	33.962126
"932935"	121.955413	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+Cl"	33.962126
"273680"	454.866802	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Cl"	34.969402
"674853"	664.815502	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+Cl"	34.969402
"1287984"	244.918102	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl"	34.969402
"27623"	456.846006	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M-2H+K"	36.948606
"467183"	666.794706	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M-2H+K"	36.948606
"840614"	246.897306	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-2H+K"	36.948606
"1563008"	246.897306	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K-2H"	36.948606
"948704"	254.946894	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+HCOOH"	44.998194
"373118"	464.895601	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+HCOOH-H"	44.998201
"357731"	478.911251	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Hac-H"	59.013851
"1507785"	268.962551	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Hac-H"	59.013851
"970460"	276.928851	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+NaCOOH"	66.980151
"123742"	244.918102	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2Cl"	69.938804
"562209"	349.892452	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2Cl"	69.938804
"1029915"	139.943752	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2Cl"	69.938804
"1253867"	288.867585	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Br"	78.918885
"1317045"	290.923572	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+HCOOH"	80.974872
"1331260"	312.905529	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+NaCOOH"	102.956829
"922685"	322.934286	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M-H+CF3COOH"	112.985586
"1298663"	358.910964	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Cl+CF3COOH"	148.962264
"1374273"	174.936024	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H-2H2O"	-35.012676
"1395052"	192.946	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H-H2O"	-17.0027
"292188"	420.904676	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H"	1.007276
"679504"	630.853376	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H"	1.007276
"1362053"	210.955976	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H"	1.007276
"136400"	210.955976	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2H"	2.014552
"577783"	315.930326	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2H"	2.014552
"1042571"	105.981626	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2H"	2.014552
"208652"	140.973076	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+3H"	3.021828
"647483"	210.955976	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+3H"	3.021828
"1165976"	70.990176	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+3H"	3.021828
"428155"	437.931223	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+NH4"	18.033823
"792427"	647.879923	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+NH4"	18.033823
"1682800"	227.982523	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+NH4"	18.033823
"333757"	219.4692495	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H+NH4"	19.041099
"728367"	324.4435995	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H+NH4"	19.041099
"1480001"	114.4948995	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+NH4"	19.041099
"398679"	442.886618	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Na"	22.989218
"754681"	652.835318	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+Na"	22.989218
"1602864"	232.937918	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na"	22.989218
"316716"	221.946947	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H+Na"	23.996494
"707546"	326.921297	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H+Na"	23.996494
"1461412"	116.972597	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+Na"	23.996494
"1053160"	78.31749	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2H+Na"	25.00377
"1257347"	242.982186	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+CH3OH+H"	33.033486
"380839"	458.860558	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+K"	38.963158
"738793"	668.809258	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+K"	38.963158
"1542429"	248.911858	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K"	38.963158
"299359"	229.933917	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+H+K"	39.970434
"691859"	334.908267	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+H+K"	39.970434
"1449493"	124.959567	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+K"	39.970434
"236511"	461.931226	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+ACN+H"	42.033826
"1214084"	251.982526	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+ACN+H"	42.033826
"1200521"	126.494901	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+ACN+2H"	43.041102
"190839"	464.86856	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2Na-H"	44.97116
"630400"	674.81726	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2Na-H"	44.97116
"1135734"	254.91986	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2Na-H"	44.97116
"176106"	232.937918	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2Na"	45.978436
"615665"	337.912268	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2Na"	45.978436
"1117346"	127.963568	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2Na"	45.978436
"1399530"	85.644804	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+2Na"	46.985712
"1430355"	256.961446	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+HCOOH"	47.012746
"220255"	237.97094	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+3H2O+2H"	56.04448
"1511125"	271.01349	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+IsoProp+H"	61.06479
"410446"	240.924888	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+Na+K"	61.952376
"771441"	345.899238	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+Na+K"	61.952376
"1671781"	135.950538	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na+K"	61.952376
"262675"	483.913168	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+ACN+Na"	64.015768
"1237571"	273.964468	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+ACN+Na"	64.015768
"1722087"	273.987993	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+NH4+HCOOH"	64.039293
"1188532"	92.972118	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+3Na"	68.967654
"1661706"	278.943388	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na+HCOOH"	68.994688
"167473"	496.81644	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2K-H"	76.91904
"604846"	706.76514	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2K-H"	76.91904
"1090087"	286.86774	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2K-H"	76.91904
"148368"	248.911858	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"2M+2K"	77.926316
"591206"	353.886208	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"3M+2K"	77.926316
"1075716"	143.937508	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2K"	77.926316
"1107833"	288.882292	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2K+H"	78.933592
"1344219"	288.969907	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+DMSO+H"	79.021207
"1014941"	293.009076	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2ACN+H"	83.060376
"1529786"	294.002708	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+IsoProp+Na+H"	84.054008
"995140"	147.008176	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+2ACN+2H"	84.067652
"1589644"	294.917328	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K+HCOOH"	84.968628
"1415548"	324.948838	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+H+CF3COOH"	115.000138
"1148504"	167.521451	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+3ACN+2H"	125.094202
"1709367"	341.975385	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+NH4+CF3COOH"	132.026685
"1639550"	346.93078	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+Na+CF3COOH"	136.98208
"1583950"	362.90472	"C07095"	"25-Dichloro-ciscis-muconate"	"C6H4Cl2O4"	"209.9487"	"M+K+CF3COOH"	152.95602
"804474"	161.9639	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M"	0
"979100"	142.94551	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H2O-H"	-19.01839
"65155"	106.968657333333	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-3H"	-3.021828
"506902"	160.956624	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-3H"	-3.021828
"889076"	52.9806906666667	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-3H"	-3.021828
"8382"	160.956624	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H"	-2.014552
"452682"	241.938574	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H"	-2.014552
"827203"	79.974674	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H"	-2.014552
"83916"	322.920524	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-H"	-1.007276
"532832"	484.884424	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-H"	-1.007276
"905651"	160.956624	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H"	-1.007276
"60756"	339.947071	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+NH4"	16.019271
"497399"	501.910971	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+NH4"	16.019271
"877997"	177.983171	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+NH4"	16.019271
"46142"	344.902466	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+Na"	20.974666
"477556"	506.866366	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+Na"	20.974666
"856086"	182.938566	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+Na"	20.974666
"1621245"	182.938566	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na-2H"	20.974666
"99966"	178.944963	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-H+Cl"	33.962126
"535151"	259.926913	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-H+Cl"	33.962126
"928059"	97.963013	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+Cl"	33.962126
"272695"	358.897202	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Cl"	34.969402
"671681"	520.861102	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Cl"	34.969402
"1280802"	196.933302	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl"	34.969402
"22265"	360.876406	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+K"	36.948606
"460732"	522.840306	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+K"	36.948606
"837443"	198.912506	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+K"	36.948606
"1564211"	198.912506	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K-2H"	36.948606
"947721"	206.962094	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+HCOOH"	44.998194
"367030"	368.926001	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+HCOOH-H"	44.998201
"356381"	382.941651	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Hac-H"	59.013851
"1505951"	220.977751	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Hac-H"	59.013851
"970570"	228.944051	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+NaCOOH"	66.980151
"123488"	196.933302	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Cl"	69.938804
"563415"	277.915252	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Cl"	69.938804
"1033306"	115.951352	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Cl"	69.938804
"1252885"	240.882785	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Br"	78.918885
"1317518"	242.938772	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+HCOOH"	80.974872
"1329548"	264.920729	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+NaCOOH"	102.956829
"918420"	274.949486	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+CF3COOH"	112.985586
"1299500"	310.926164	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+CF3COOH"	148.962264
"1370008"	126.951224	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H-2H2O"	-35.012676
"1388599"	144.9612	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H-H2O"	-17.0027
"292662"	324.935076	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H"	1.007276
"678521"	486.898976	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H"	1.007276
"1359247"	162.971176	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H"	1.007276
"137239"	162.971176	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2H"	2.014552
"576799"	243.953126	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2H"	2.014552
"1044868"	81.989226	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2H"	2.014552
"210584"	108.983209333333	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+3H"	3.021828
"647229"	162.971176	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+3H"	3.021828
"1168273"	54.9952426666667	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3H"	3.021828
"429358"	341.961623	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+NH4"	18.033823
"789258"	503.925523	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+NH4"	18.033823
"1684127"	179.997723	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4"	18.033823
"332406"	171.4844495	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+NH4"	19.041099
"724101"	252.4663995	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+NH4"	19.041099
"1478042"	90.5024995	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+NH4"	19.041099
"396966"	346.917018	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Na"	22.989218
"754676"	508.880918	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Na"	22.989218
"1604600"	184.953118	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na"	22.989218
"319011"	173.962147	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+Na"	23.996494
"713622"	254.944097	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+Na"	23.996494
"1461963"	92.980197	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+Na"	23.996494
"1053514"	62.3225566666667	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2H+Na"	25.00377
"1257620"	194.997386	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+CH3OH+H"	33.033486
"379490"	362.890958	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+K"	38.963158
"739266"	524.854858	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+K"	38.963158
"1540345"	200.927058	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K"	38.963158
"300076"	181.949117	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+K"	39.970434
"692253"	262.931067	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+K"	39.970434
"1450696"	100.967167	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+K"	39.970434
"236378"	365.961626	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+ACN+H"	42.033826
"1213100"	203.997726	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+H"	42.033826
"1199173"	102.502501	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+2H"	43.041102
"192405"	368.89896	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Na-H"	44.97116
"632331"	530.86286	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Na-H"	44.97116
"1135480"	206.93506	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Na-H"	44.97116
"174754"	184.953118	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Na"	45.978436
"614437"	265.935068	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Na"	45.978436
"1117452"	103.971168	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Na"	45.978436
"1399882"	69.6498706666667	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+2Na"	46.985712
"1430551"	208.976646	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+HCOOH"	47.012746
"220528"	189.98614	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+3H2O+2H"	56.04448
"1511598"	223.02869	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+H"	61.06479
"410556"	192.940088	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Na+K"	61.952376
"774467"	273.922038	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Na+K"	61.952376
"1671891"	111.958138	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+K"	61.952376
"261691"	387.943568	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+ACN+Na"	64.015768
"1236224"	225.979668	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+Na"	64.015768
"1722197"	226.003193	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4+HCOOH"	64.039293
"1187549"	76.9771846666667	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3Na"	68.967654
"1661816"	230.958588	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+HCOOH"	68.994688
"170863"	400.84684	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2K-H"	76.91904
"604955"	562.81074	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2K-H"	76.91904
"1093842"	238.88294	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K-H"	76.91904
"151758"	200.927058	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2K"	77.926316
"592409"	281.909008	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2K"	77.926316
"1076919"	119.945108	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K"	77.926316
"1107944"	240.897492	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K+H"	78.933592
"1345423"	240.985107	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+DMSO+H"	79.021207
"1010672"	245.024276	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2ACN+H"	83.060376
"1527709"	246.017908	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+Na+H"	84.054008
"995250"	123.015776	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2ACN+2H"	84.067652
"1588661"	246.932528	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K+HCOOH"	84.968628
"1414807"	276.964038	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+CF3COOH"	115.000138
"1148249"	143.529051	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3ACN+2H"	125.094202
"1709477"	293.990585	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4+CF3COOH"	132.026685
"1639660"	298.94598	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+CF3COOH"	136.98208
"1584060"	314.91992	"C07096"	"26-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K+CF3COOH"	152.95602
"804584"	177.9588	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M"	0
"976294"	158.94041	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-H2O-H"	-19.01839
"66359"	117.631924	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M-3H"	-3.021828
"509200"	176.951524	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M-3H"	-3.021828
"891374"	58.312324	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-3H"	-3.021828
"12137"	176.951524	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M-2H"	-2.014552
"452794"	265.930924	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M-2H"	-2.014552
"825126"	87.972124	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-2H"	-2.014552
"84026"	354.910324	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M-H"	-1.007276
"531243"	532.869124	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M-H"	-1.007276
"909042"	176.951524	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-H"	-1.007276
"61229"	371.936871	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M-2H+NH4"	16.019271
"498603"	549.895671	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M-2H+NH4"	16.019271
"879201"	193.978071	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-2H+NH4"	16.019271
"46739"	376.892266	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M-2H+Na"	20.974666
"478395"	554.851066	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M-2H+Na"	20.974666
"851457"	198.933466	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-2H+Na"	20.974666
"1622082"	198.933466	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Na-2H"	20.974666
"101169"	194.939863	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M-H+Cl"	33.962126
"536358"	283.919263	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M-H+Cl"	33.962126
"928898"	105.960463	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-H+Cl"	33.962126
"273898"	390.887002	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+Cl"	34.969402
"671791"	568.845802	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+Cl"	34.969402
"1279819"	212.928202	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Cl"	34.969402
"22375"	392.866206	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M-2H+K"	36.948606
"460842"	570.825006	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M-2H+K"	36.948606
"838647"	214.907406	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-2H+K"	36.948606
"1565416"	214.907406	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+K-2H"	36.948606
"950018"	222.956994	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-H+HCOOH"	44.998194
"368233"	400.915801	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+HCOOH-H"	44.998201
"356491"	414.931451	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+Hac-H"	59.013851
"1505325"	236.972651	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Hac-H"	59.013851
"971412"	244.938951	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-H+NaCOOH"	66.980151
"119587"	212.928202	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+2Cl"	69.938804
"553678"	301.907602	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+2Cl"	69.938804
"1030132"	123.948802	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2Cl"	69.938804
"1248619"	256.877685	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Br"	78.918885
"1317994"	258.933672	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Cl+HCOOH"	80.974872
"1326376"	280.915629	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Cl+NaCOOH"	102.956829
"922903"	290.944386	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M-H+CF3COOH"	112.985586
"1299246"	326.921064	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Cl+CF3COOH"	148.962264
"1373398"	142.946124	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H-2H2O"	-35.012676
"1387977"	160.9561	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H-H2O"	-17.0027
"292772"	356.924876	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+H"	1.007276
"680819"	534.883676	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+H"	1.007276
"1356076"	178.966076	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H"	1.007276
"136258"	178.966076	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+2H"	2.014552
"573992"	267.945476	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+2H"	2.014552
"1042790"	89.986676	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2H"	2.014552
"211787"	119.646476	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+3H"	3.021828
"646975"	178.966076	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+3H"	3.021828
"1171663"	60.326876	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+3H"	3.021828
"427280"	373.951423	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+NH4"	18.033823
"790824"	551.910223	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+NH4"	18.033823
"1687883"	195.992623	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+NH4"	18.033823
"335432"	187.4793495	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+H+NH4"	19.041099
"723845"	276.4587495	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+H+NH4"	19.041099
"1478520"	98.4999495	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H+NH4"	19.041099
"398169"	378.906818	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+Na"	22.989218
"755277"	556.865618	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+Na"	22.989218
"1604467"	200.948018	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Na"	22.989218
"316934"	189.957047	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+H+Na"	23.996494
"713731"	278.936447	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+H+Na"	23.996494
"1461467"	100.977647	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H+Na"	23.996494
"1053299"	67.65419	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2H+Na"	25.00377
"1257121"	210.992286	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+CH3OH+H"	33.033486
"381058"	394.880758	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+K"	38.963158
"740105"	572.839558	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+K"	38.963158
"1540334"	216.921958	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+K"	38.963158
"300185"	197.944017	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+H+K"	39.970434
"692241"	286.923417	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+H+K"	39.970434
"1447161"	108.964617	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H+K"	39.970434
"236127"	397.951426	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+H"	42.033826
"1213210"	219.992626	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+ACN+H"	42.033826
"1197823"	110.499951	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+ACN+2H"	43.041102
"191787"	400.88876	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+2Na-H"	44.97116
"634996"	578.84756	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+2Na-H"	44.97116
"1135226"	222.92996	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2Na-H"	44.97116
"174013"	200.948018	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+2Na"	45.978436
"613693"	289.927418	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+2Na"	45.978436
"1117074"	111.968618	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2Na"	45.978436
"1399628"	74.981504	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H+2Na"	46.985712
"1430335"	224.971546	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H+HCOOH"	47.012746
"220232"	205.98104	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+3H2O+2H"	56.04448
"1510616"	239.02359	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+H"	61.06479
"412489"	208.934988	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+Na+K"	61.952376
"776765"	297.914388	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+Na+K"	61.952376
"1673095"	119.955588	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Na+K"	61.952376
"255239"	419.933368	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+ACN+Na"	64.015768
"1231228"	241.974568	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+ACN+Na"	64.015768
"1723037"	241.998093	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+NH4+HCOOH"	64.039293
"1189848"	82.308818	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+3Na"	68.967654
"1661562"	246.953488	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Na+HCOOH"	68.994688
"167693"	432.83664	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+2K-H"	76.91904
"604337"	610.79544	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+2K-H"	76.91904
"1093952"	254.87784	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2K-H"	76.91904
"155394"	216.921958	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"2M+2K"	77.926316
"591426"	305.901358	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"3M+2K"	77.926316
"1077029"	127.942558	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2K"	77.926316
"1108054"	256.892392	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2K+H"	78.933592
"1344439"	256.980007	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+DMSO+H"	79.021207
"1011878"	261.019176	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+H"	83.060376
"1528913"	262.012808	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+IsoProp+Na+H"	84.054008
"994267"	131.013226	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+2ACN+2H"	84.067652
"1588768"	262.927428	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+K+HCOOH"	84.968628
"1414388"	292.958938	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+H+CF3COOH"	115.000138
"1147387"	151.526501	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+3ACN+2H"	125.094202
"1708496"	309.985485	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+NH4+CF3COOH"	132.026685
"1648885"	314.94088	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+Na+CF3COOH"	136.98208
"1584169"	330.91482	"C07097"	"26-Dichlorohydroquinone"	"C6H4Cl2O2"	"177.9588"	"M+K+CF3COOH"	152.95602
"804694"	195.9249	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M"	0
"977133"	176.90651	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H2O-H"	-19.01839
"65376"	129.609324	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-3H"	-3.021828
"509310"	194.917624	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-3H"	-3.021828
"893307"	64.301024	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-3H"	-3.021828
"5686"	194.917624	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H"	-2.014552
"449623"	292.880074	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H"	-2.014552
"824142"	96.955174	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H"	-2.014552
"84136"	390.842524	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-H"	-1.007276
"530260"	586.767424	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-H"	-1.007276
"909151"	194.917624	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H"	-1.007276
"61339"	407.869071	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H+NH4"	16.019271
"502603"	603.793971	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H+NH4"	16.019271
"878702"	211.944171	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H+NH4"	16.019271
"45509"	412.824466	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H+Na"	20.974666
"478505"	608.749366	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H+Na"	20.974666
"849379"	216.899566	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H+Na"	20.974666
"1618668"	216.899566	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na-2H"	20.974666
"100186"	212.905963	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-H+Cl"	33.962126
"536468"	310.868413	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-H+Cl"	33.962126
"928887"	114.943513	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+Cl"	33.962126
"271822"	426.819202	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Cl"	34.969402
"670808"	622.744102	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+Cl"	34.969402
"1278835"	230.894302	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl"	34.969402
"22485"	428.798406	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H+K"	36.948606
"459859"	624.723306	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H+K"	36.948606
"838756"	232.873506	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H+K"	36.948606
"1565526"	232.873506	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K-2H"	36.948606
"951221"	240.923094	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+HCOOH"	44.998194
"363969"	436.848001	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+HCOOH-H"	44.998201
"356601"	450.863651	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Hac-H"	59.013851
"1507501"	254.938751	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Hac-H"	59.013851
"972980"	262.905051	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+NaCOOH"	66.980151
"120790"	230.894302	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2Cl"	69.938804
"553788"	328.856752	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2Cl"	69.938804
"1030242"	132.931852	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2Cl"	69.938804
"1248729"	274.843785	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Br"	78.918885
"1318104"	276.899772	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl+HCOOH"	80.974872
"1327579"	298.881729	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl+NaCOOH"	102.956829
"922649"	308.910486	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+CF3COOH"	112.985586
"1299356"	344.887164	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl+CF3COOH"	148.962264
"1373507"	160.912224	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H-2H2O"	-35.012676
"1387359"	178.9222	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H-H2O"	-17.0027
"289601"	392.857076	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H"	1.007276
"680929"	588.781976	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H"	1.007276
"1355091"	196.932176	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H"	1.007276
"136732"	196.932176	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2H"	2.014552
"573008"	294.894626	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2H"	2.014552
"1039620"	98.969726	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2H"	2.014552
"210074"	131.623876	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+3H"	3.021828
"646720"	196.932176	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+3H"	3.021828
"1168493"	66.315576	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+3H"	3.021828
"426661"	409.883623	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+NH4"	18.033823
"788746"	605.808523	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+NH4"	18.033823
"1685078"	213.958723	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+NH4"	18.033823
"332627"	205.4454495	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H+NH4"	19.041099
"723468"	303.4078995	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H+NH4"	19.041099
"1477536"	107.4829995	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+NH4"	19.041099
"399006"	414.839018	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Na"	22.989218
"755749"	610.763918	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+Na"	22.989218
"1607008"	218.914118	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na"	22.989218
"314290"	207.923147	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H+Na"	23.996494
"708372"	305.885597	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H+Na"	23.996494
"1461407"	109.960697	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+Na"	23.996494
"1052874"	73.64289	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2H+Na"	25.00377
"1257267"	228.958386	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+CH3OH+H"	33.033486
"379344"	430.812958	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+K"	38.963158
"740337"	626.737858	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+K"	38.963158
"1540323"	234.888058	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K"	38.963158
"300051"	215.910117	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H+K"	39.970434
"692716"	313.872567	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H+K"	39.970434
"1447267"	117.947667	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+K"	39.970434
"237330"	433.883626	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+ACN+H"	42.033826
"1210519"	237.958726	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+ACN+H"	42.033826
"1196838"	119.483001	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+ACN+2H"	43.041102
"189015"	436.82096	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2Na-H"	44.97116
"630730"	632.74586	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2Na-H"	44.97116
"1132168"	240.89606	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2Na-H"	44.97116
"174359"	218.914118	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2Na"	45.978436
"615133"	316.876568	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2Na"	45.978436
"1116454"	120.951668	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2Na"	45.978436
"1399491"	80.970204	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+2Na"	46.985712
"1430886"	242.937646	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+HCOOH"	47.012746
"220217"	223.94714	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+3H2O+2H"	56.04448
"1511090"	256.98969	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+IsoProp+H"	61.06479
"412598"	226.901088	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Na+K"	61.952376
"774687"	324.863538	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+Na+K"	61.952376
"1672112"	128.938638	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na+K"	61.952376
"253526"	455.865568	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+ACN+Na"	64.015768
"1231338"	259.940668	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+ACN+Na"	64.015768
"1724240"	259.964193	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+NH4+HCOOH"	64.039293
"1189958"	88.297518	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+3Na"	68.967654
"1661308"	264.919588	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na+HCOOH"	68.994688
"166710"	468.76884	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2K-H"	76.91904
"605176"	664.69374	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2K-H"	76.91904
"1092969"	272.84394	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2K-H"	76.91904
"155259"	234.888058	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2K"	77.926316
"589350"	332.850508	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2K"	77.926316
"1076046"	136.925608	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2K"	77.926316
"1107071"	274.858492	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2K+H"	78.933592
"1344549"	274.946107	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+DMSO+H"	79.021207
"1011988"	278.985276	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2ACN+H"	83.060376
"1531210"	279.978908	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+IsoProp+Na+H"	84.054008
"994377"	139.996276	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2ACN+2H"	84.067652
"1589243"	280.893528	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K+HCOOH"	84.968628
"1414664"	310.925038	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+CF3COOH"	115.000138
"1148470"	160.509551	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+3ACN+2H"	125.094202
"1707513"	327.951585	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+NH4+CF3COOH"	132.026685
"1648266"	332.90698	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na+CF3COOH"	136.98208
"1584279"	348.88092	"C07098"	"246-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K+CF3COOH"	152.95602
"804804"	211.9199	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M"	0
"983805"	192.90151	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-H2O-H"	-19.01839
"67673"	140.272657333333	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M-3H"	-3.021828
"509420"	210.912624	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M-3H"	-3.021828
"893782"	69.6326906666667	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-3H"	-3.021828
"13089"	210.912624	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M-2H"	-2.014552
"449735"	316.872574	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M-2H"	-2.014552
"824255"	104.952674	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-2H"	-2.014552
"89715"	422.832524	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M-H"	-1.007276
"528184"	634.752424	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M-H"	-1.007276
"908899"	210.912624	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-H"	-1.007276
"60362"	439.859071	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M-2H+NH4"	16.019271
"500893"	651.778971	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M-2H+NH4"	16.019271
"877356"	227.939171	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-2H+NH4"	16.019271
"42340"	444.814466	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M-2H+Na"	20.974666
"480802"	656.734366	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M-2H+Na"	20.974666
"850948"	232.894566	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-2H+Na"	20.974666
"1619387"	232.894566	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Na-2H"	20.974666
"100296"	228.900963	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M-H+Cl"	33.962126
"535849"	334.860913	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M-H+Cl"	33.962126
"933377"	122.941013	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-H+Cl"	33.962126
"271931"	458.809202	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+Cl"	34.969402
"666543"	670.729102	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+Cl"	34.969402
"1281134"	246.889302	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Cl"	34.969402
"25877"	460.788406	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M-2H+K"	36.948606
"461063"	672.708306	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M-2H+K"	36.948606
"841052"	248.868506	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-2H+K"	36.948606
"1563449"	248.868506	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+K-2H"	36.948606
"950237"	256.918094	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-H+HCOOH"	44.998194
"373921"	468.838001	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+HCOOH-H"	44.998201
"360362"	482.853651	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+Hac-H"	59.013851
"1504452"	270.933751	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Hac-H"	59.013851
"972724"	278.900051	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-H+NaCOOH"	66.980151
"120902"	246.889302	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+2Cl"	69.938804
"561554"	352.849252	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+2Cl"	69.938804
"1036189"	140.929352	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2Cl"	69.938804
"1253215"	290.838785	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Br"	78.918885
"1316754"	292.894772	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Cl+HCOOH"	80.974872
"1329877"	314.876729	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Cl+NaCOOH"	102.956829
"918750"	324.905486	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M-H+CF3COOH"	112.985586
"1296551"	360.882164	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Cl+CF3COOH"	148.962264
"1374712"	176.907224	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H-2H2O"	-35.012676
"1387835"	194.9172	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H-H2O"	-17.0027
"289711"	424.847076	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+H"	1.007276
"678123"	636.766976	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+H"	1.007276
"1357389"	212.927176	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H"	1.007276
"132466"	212.927176	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+2H"	2.014552
"570932"	318.887126	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+2H"	2.014552
"1040825"	106.967226	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2H"	2.014552
"205810"	142.287209333333	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+3H"	3.021828
"646102"	212.927176	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+3H"	3.021828
"1167509"	71.6472426666667	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+3H"	3.021828
"426771"	441.873623	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+NH4"	18.033823
"788129"	653.793523	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+NH4"	18.033823
"1684462"	229.953723	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+NH4"	18.033823
"332012"	221.4404495	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+H+NH4"	19.041099
"722815"	327.4003995	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+H+NH4"	19.041099
"1477888"	115.4804995	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H+NH4"	19.041099
"393526"	446.829018	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+Na"	22.989218
"756105"	658.748918	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+Na"	22.989218
"1606023"	234.909118	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Na"	22.989218
"316061"	223.918147	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+H+Na"	23.996494
"707873"	329.878097	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+H+Na"	23.996494
"1461772"	117.958197	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H+Na"	23.996494
"1053029"	78.9745566666667	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2H+Na"	25.00377
"1257421"	244.953386	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+CH3OH+H"	33.033486
"378357"	462.802958	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+K"	38.963158
"738986"	674.722858	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+K"	38.963158
"1539968"	250.883058	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+K"	38.963158
"298823"	231.905117	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+H+K"	39.970434
"691513"	337.865067	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+H+K"	39.970434
"1445919"	125.945167	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H+K"	39.970434
"237441"	465.873626	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+ACN+H"	42.033826
"1211607"	253.953726	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+ACN+H"	42.033826
"1196585"	127.480501	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+ACN+2H"	43.041102
"189455"	468.81096	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+2Na-H"	44.97116
"629056"	680.73086	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+2Na-H"	44.97116
"1132280"	256.89106	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2Na-H"	44.97116
"173421"	234.909118	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+2Na"	45.978436
"614276"	340.869068	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+2Na"	45.978436
"1117052"	128.949168	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2Na"	45.978436
"1399847"	86.3018706666667	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H+2Na"	46.985712
"1430632"	258.932646	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H+HCOOH"	47.012746
"220813"	239.94214	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+3H2O+2H"	56.04448
"1511564"	272.98469	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+IsoProp+H"	61.06479
"411979"	242.896088	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+Na+K"	61.952376
"774068"	348.856038	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+Na+K"	61.952376
"1666264"	136.936138	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Na+K"	61.952376
"252906"	487.855568	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+ACN+Na"	64.015768
"1229261"	275.935668	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+ACN+Na"	64.015768
"1724352"	275.959193	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+NH4+HCOOH"	64.039293
"1186788"	93.6291846666667	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+3Na"	68.967654
"1657773"	280.914588	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Na+HCOOH"	68.994688
"164633"	500.75884	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+2K-H"	76.91904
"604192"	712.67874	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+2K-H"	76.91904
"1089799"	288.83894	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2K-H"	76.91904
"149895"	250.883058	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"2M+2K"	77.926316
"589457"	356.843008	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"3M+2K"	77.926316
"1075061"	144.923108	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2K"	77.926316
"1104989"	290.853492	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2K+H"	78.933592
"1341380"	290.941107	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+DMSO+H"	79.021207
"1009911"	294.980276	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2ACN+H"	83.060376
"1531321"	295.973908	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+IsoProp+Na+H"	84.054008
"993394"	147.993776	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+2ACN+2H"	84.067652
"1587532"	296.888528	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+K+HCOOH"	84.968628
"1415017"	326.920038	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+H+CF3COOH"	115.000138
"1147492"	168.507051	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+3ACN+2H"	125.094202
"1709807"	343.946585	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+NH4+CF3COOH"	132.026685
"1647647"	348.90198	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+Na+CF3COOH"	136.98208
"1577828"	364.87592	"C07099"	"236-Trichlorohydroquinone"	"C6H3Cl3O2"	"211.9199"	"M+K+CF3COOH"	152.95602
"808195"	253.9304	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M"	0
"984644"	234.91201	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-H2O-H"	-19.01839
"67783"	168.279657333333	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M-3H"	-3.021828
"512811"	252.923124	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M-3H"	-3.021828
"889521"	83.6361906666667	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-3H"	-3.021828
"12835"	252.923124	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M-2H"	-2.014552
"450940"	379.888324	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M-2H"	-2.014552
"822179"	125.957924	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-2H"	-2.014552
"84359"	506.853524	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M-H"	-1.007276
"526107"	760.783924	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M-H"	-1.007276
"905731"	252.923124	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-H"	-1.007276
"57917"	523.880071	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M-2H+NH4"	16.019271
"498936"	777.810471	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M-2H+NH4"	16.019271
"876010"	269.949671	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-2H+NH4"	16.019271
"43910"	528.835466	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M-2H+Na"	20.974666
"476540"	782.765866	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M-2H+Na"	20.974666
"851061"	274.905066	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-2H+Na"	20.974666
"1620593"	274.905066	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Na-2H"	20.974666
"101500"	270.911463	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M-H+Cl"	33.962126
"537782"	397.876663	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M-H+Cl"	33.962126
"933487"	143.946263	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-H+Cl"	33.962126
"273135"	542.830202	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+Cl"	34.969402
"665557"	796.760602	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+Cl"	34.969402
"1276866"	288.899802	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Cl"	34.969402
"24890"	544.809406	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M-2H+K"	36.948606
"463358"	798.739806	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M-2H+K"	36.948606
"837880"	290.879006	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-2H+K"	36.948606
"1564652"	290.879006	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+K-2H"	36.948606
"953627"	298.928594	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-H+HCOOH"	44.998194
"374761"	552.859001	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+HCOOH-H"	44.998201
"354635"	566.874651	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+Hac-H"	59.013851
"1503468"	312.944251	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Hac-H"	59.013851
"972104"	320.910551	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-H+NaCOOH"	66.980151
"123813"	288.899802	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+2Cl"	69.938804
"560571"	415.865002	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+2Cl"	69.938804
"1029370"	161.934602	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2Cl"	69.938804
"1252232"	332.849285	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Br"	78.918885
"1316868"	334.905272	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Cl+HCOOH"	80.974872
"1334244"	356.887229	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Cl+NaCOOH"	102.956829
"917767"	366.915986	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M-H+CF3COOH"	112.985586
"1294475"	402.892664	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Cl+CF3COOH"	148.962264
"1367896"	218.917724	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H-2H2O"	-35.012676
"1387945"	236.9277	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H-H2O"	-17.0027
"286541"	508.868076	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+H"	1.007276
"681149"	762.798476	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+H"	1.007276
"1359686"	254.937676	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H"	1.007276
"134762"	254.937676	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+2H"	2.014552
"574324"	381.902876	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+2H"	2.014552
"1047133"	127.972476	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2H"	2.014552
"207743"	170.294209333333	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+3H"	3.021828
"648400"	254.937676	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+3H"	3.021828
"1166526"	85.6507426666667	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+3H"	3.021828
"428706"	525.894623	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+NH4"	18.033823
"791888"	779.825023	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+NH4"	18.033823
"1682145"	271.964223	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+NH4"	18.033823
"330708"	263.4509495	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+H+NH4"	19.041099
"725643"	390.4161495	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+H+NH4"	19.041099
"1483836"	136.4857495	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H+NH4"	19.041099
"396315"	530.850018	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+Na"	22.989218
"756949"	784.780418	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+Na"	22.989218
"1604311"	276.919618	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Na"	22.989218
"314868"	265.928647	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+H+Na"	23.996494
"707733"	392.893847	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+H+Na"	23.996494
"1462162"	138.963447	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H+Na"	23.996494
"1053221"	92.9780566666667	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2H+Na"	25.00377
"1258798"	286.963886	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+CH3OH+H"	33.033486
"377206"	546.823958	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+K"	38.963158
"739257"	800.754358	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+K"	38.963158
"1540458"	292.893558	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+K"	38.963158
"300267"	273.915617	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+H+K"	39.970434
"693301"	400.880817	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+H+K"	39.970434
"1447123"	146.950417	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H+K"	39.970434
"235792"	549.894626	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+ACN+H"	42.033826
"1210984"	295.964226	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+ACN+H"	42.033826
"1195963"	148.485751	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+ACN+2H"	43.041102
"189565"	552.83196	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+2Na-H"	44.97116
"629365"	806.76236	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+2Na-H"	44.97116
"1134094"	298.90156	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2Na-H"	44.97116
"173858"	276.919618	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+2Na"	45.978436
"613781"	403.884818	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+2Na"	45.978436
"1115953"	149.954418	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2Na"	45.978436
"1400686"	100.305370666667	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H+2Na"	46.985712
"1430981"	300.943146	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H+HCOOH"	47.012746
"220680"	281.95264	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+3H2O+2H"	56.04448
"1509244"	314.99519	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+IsoProp+H"	61.06479
"410267"	284.906588	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+Na+K"	61.952376
"777094"	411.871788	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+Na+K"	61.952376
"1666129"	157.941388	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Na+K"	61.952376
"254840"	571.876568	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+ACN+Na"	64.015768
"1232653"	317.946168	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+ACN+Na"	64.015768
"1720446"	317.969693	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+NH4+HCOOH"	64.039293
"1187991"	107.632684666667	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+3Na"	68.967654
"1658976"	322.925088	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Na+HCOOH"	68.994688
"169116"	584.77984	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+2K-H"	76.91904
"607582"	838.71024	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+2K-H"	76.91904
"1092096"	330.84944	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2K-H"	76.91904
"151099"	292.893558	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"2M+2K"	77.926316
"592844"	419.858758	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"3M+2K"	77.926316
"1078451"	165.928358	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2K"	77.926316
"1105100"	332.863992	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2K+H"	78.933592
"1342582"	332.951607	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+DMSO+H"	79.021207
"1012208"	336.990776	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2ACN+H"	83.060376
"1532524"	337.984408	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+IsoProp+Na+H"	84.054008
"996785"	168.999026	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+2ACN+2H"	84.067652
"1588008"	338.899028	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+K+HCOOH"	84.968628
"1414884"	368.930538	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+H+CF3COOH"	115.000138
"1148083"	189.512301	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+3ACN+2H"	125.094202
"1711010"	385.957085	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+NH4+CF3COOH"	132.026685
"1648122"	390.91248	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+Na+CF3COOH"	136.98208
"1584499"	406.88642	"C07100"	"245-Trichlorophenoxyacetic acid;245-T"	"C8H5Cl3O3"	"253.9304"	"M+K+CF3COOH"	152.95602
"806117"	195.9249	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M"	0
"979650"	176.90651	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H2O-H"	-19.01839
"73360"	129.609324	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-3H"	-3.021828
"510733"	194.917624	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-3H"	-3.021828
"890722"	64.301024	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-3H"	-3.021828
"11485"	194.917624	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H"	-2.014552
"448860"	292.880074	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H"	-2.014552
"825569"	96.955174	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H"	-2.014552
"90665"	390.842524	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-H"	-1.007276
"529498"	586.767424	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-H"	-1.007276
"904017"	194.917624	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H"	-1.007276
"58389"	407.869071	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H+NH4"	16.019271
"495767"	603.793971	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H+NH4"	16.019271
"875753"	211.944171	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H+NH4"	16.019271
"43653"	412.824466	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H+Na"	20.974666
"474462"	608.749366	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H+Na"	20.974666
"851170"	216.899566	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H+Na"	20.974666
"1620092"	216.899566	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na-2H"	20.974666
"96142"	212.905963	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-H+Cl"	33.962126
"537892"	310.868413	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-H+Cl"	33.962126
"934690"	114.943513	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+Cl"	33.962126
"272151"	426.819202	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Cl"	34.969402
"665667"	622.744102	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+Cl"	34.969402
"1274789"	230.894302	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl"	34.969402
"27187"	428.798406	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M-2H+K"	36.948606
"466748"	624.723306	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M-2H+K"	36.948606
"837990"	232.873506	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-2H+K"	36.948606
"1568042"	232.873506	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K-2H"	36.948606
"957747"	240.923094	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+HCOOH"	44.998194
"375234"	436.848001	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+HCOOH-H"	44.998201
"359118"	450.863651	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Hac-H"	59.013851
"1505764"	254.938751	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Hac-H"	59.013851
"972578"	262.905051	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+NaCOOH"	66.980151
"122215"	230.894302	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2Cl"	69.938804
"559587"	328.856752	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2Cl"	69.938804
"1032759"	132.931852	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2Cl"	69.938804
"1253435"	274.843785	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Br"	78.918885
"1318071"	276.899772	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl+HCOOH"	80.974872
"1334474"	298.881729	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl+NaCOOH"	102.956829
"921157"	308.910486	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M-H+CF3COOH"	112.985586
"1297864"	344.887164	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Cl+CF3COOH"	148.962264
"1378212"	160.912224	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H-2H2O"	-35.012676
"1388054"	178.9222	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H-H2O"	-17.0027
"285188"	392.857076	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H"	1.007276
"682352"	588.781976	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H"	1.007276
"1354690"	196.932176	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H"	1.007276
"134871"	196.932176	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2H"	2.014552
"572247"	294.894626	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2H"	2.014552
"1041410"	98.969726	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2H"	2.014552
"206759"	131.623876	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+3H"	3.021828
"646323"	196.932176	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+3H"	3.021828
"1167728"	66.315576	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+3H"	3.021828
"431003"	409.883623	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+NH4"	18.033823
"793091"	605.808523	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+NH4"	18.033823
"1682865"	213.958723	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+NH4"	18.033823
"335517"	205.4454495	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H+NH4"	19.041099
"725753"	303.4078995	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H+NH4"	19.041099
"1483946"	107.4829995	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+NH4"	19.041099
"393874"	414.839018	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Na"	22.989218
"756207"	610.763918	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+Na"	22.989218
"1607337"	218.914118	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na"	22.989218
"314701"	207.923147	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H+Na"	23.996494
"708094"	305.885597	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H+Na"	23.996494
"1461384"	109.960697	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+Na"	23.996494
"1054067"	73.64289	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2H+Na"	25.00377
"1258544"	228.958386	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+CH3OH+H"	33.033486
"378212"	430.812958	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+K"	38.963158
"739445"	626.737858	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+K"	38.963158
"1541013"	234.888058	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K"	38.963158
"300256"	215.910117	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+H+K"	39.970434
"693046"	313.872567	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+H+K"	39.970434
"1447597"	117.947667	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+K"	39.970434
"236561"	433.883626	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+ACN+H"	42.033826
"1210730"	237.958726	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+ACN+H"	42.033826
"1195708"	119.483001	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+ACN+2H"	43.041102
"191859"	436.82096	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2Na-H"	44.97116
"631424"	632.74586	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2Na-H"	44.97116
"1133476"	240.89606	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2Na-H"	44.97116
"175673"	218.914118	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2Na"	45.978436
"614376"	316.876568	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2Na"	45.978436
"1117033"	120.951668	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2Na"	45.978436
"1401524"	80.970204	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+2Na"	46.985712
"1430970"	242.937646	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+HCOOH"	47.012746
"220426"	223.94714	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+3H2O+2H"	56.04448
"1509597"	256.98969	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+IsoProp+H"	61.06479
"410377"	226.901088	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+Na+K"	61.952376
"777204"	324.863538	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+Na+K"	61.952376
"1666364"	128.938638	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na+K"	61.952376
"254586"	455.865568	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+ACN+Na"	64.015768
"1233856"	259.940668	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+ACN+Na"	64.015768
"1721649"	259.964193	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+NH4+HCOOH"	64.039293
"1188102"	88.297518	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+3Na"	68.967654
"1657993"	264.919588	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na+HCOOH"	68.994688
"169226"	468.76884	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2K-H"	76.91904
"608786"	664.69374	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2K-H"	76.91904
"1092206"	272.84394	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2K-H"	76.91904
"151209"	234.888058	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"2M+2K"	77.926316
"591861"	332.850508	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"3M+2K"	77.926316
"1077468"	136.925608	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2K"	77.926316
"1107396"	274.858492	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2K+H"	78.933592
"1342693"	274.946107	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+DMSO+H"	79.021207
"1016692"	278.985276	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2ACN+H"	83.060376
"1530447"	279.978908	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+IsoProp+Na+H"	84.054008
"992520"	139.996276	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+2ACN+2H"	84.067652
"1590300"	280.893528	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K+HCOOH"	84.968628
"1415116"	310.925038	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+H+CF3COOH"	115.000138
"1148072"	160.509551	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+3ACN+2H"	125.094202
"1710027"	327.951585	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+NH4+CF3COOH"	132.026685
"1648596"	332.90698	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+Na+CF3COOH"	136.98208
"1584609"	348.88092	"C07101"	"245-Trichlorophenol"	"C6H3Cl3O"	"195.9249"	"M+K+CF3COOH"	152.95602
"805135"	159.9927	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M"	0
"974453"	140.97431	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-H2O-H"	-19.01839
"68003"	105.654524	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M-3H"	-3.021828
"507561"	158.985424	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M-3H"	-3.021828
"886457"	52.323624	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-3H"	-3.021828
"12687"	158.985424	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M-2H"	-2.014552
"447872"	238.981774	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M-2H"	-2.014552
"826769"	78.989074	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-2H"	-2.014552
"86761"	318.978124	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M-H"	-1.007276
"530700"	478.970824	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M-H"	-1.007276
"903027"	158.985424	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-H"	-1.007276
"55219"	336.004671	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M-2H+NH4"	16.019271
"498059"	495.997371	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M-2H+NH4"	16.019271
"874768"	176.011971	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-2H+NH4"	16.019271
"41573"	340.960066	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M-2H+Na"	20.974666
"474934"	500.952766	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M-2H+Na"	20.974666
"853470"	180.967366	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-2H+Na"	20.974666
"1624098"	180.967366	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Na-2H"	20.974666
"100632"	176.973763	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M-H+Cl"	33.962126
"538002"	256.970113	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M-H+Cl"	33.962126
"933707"	96.977413	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-H+Cl"	33.962126
"274450"	354.954802	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+Cl"	34.969402
"666871"	514.947502	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+Cl"	34.969402
"1279274"	194.962102	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Cl"	34.969402
"26204"	356.934006	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M-2H+K"	36.948606
"461393"	516.926706	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M-2H+K"	36.948606
"838100"	196.941306	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-2H+K"	36.948606
"1567059"	196.941306	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+K-2H"	36.948606
"957127"	204.990894	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-H+HCOOH"	44.998194
"372063"	364.983601	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+HCOOH-H"	44.998201
"355949"	378.999251	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+Hac-H"	59.013851
"1504781"	219.006551	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Hac-H"	59.013851
"971228"	226.972851	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-H+NaCOOH"	66.980151
"121231"	194.962102	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+2Cl"	69.938804
"558604"	274.958452	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+2Cl"	69.938804
"1032872"	114.965752	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2Cl"	69.938804
"1253547"	238.911585	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Br"	78.918885
"1317816"	240.967572	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Cl+HCOOH"	80.974872
"1330208"	262.949529	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Cl+NaCOOH"	102.956829
"921992"	272.978286	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M-H+CF3COOH"	112.985586
"1292871"	308.954964	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Cl+CF3COOH"	148.962264
"1371763"	124.980024	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H-2H2O"	-35.012676
"1387070"	142.99	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H-H2O"	-17.0027
"285299"	320.992676	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+H"	1.007276
"678085"	480.985376	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+H"	1.007276
"1356625"	160.999976	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H"	1.007276
"129515"	160.999976	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+2H"	2.014552
"567980"	240.996326	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+2H"	2.014552
"1042251"	81.003626	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2H"	2.014552
"212342"	107.669076	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+3H"	3.021828
"652996"	160.999976	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+3H"	3.021828
"1167840"	54.338176	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+3H"	3.021828
"430020"	338.019223	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+NH4"	18.033823
"788829"	498.011923	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+NH4"	18.033823
"1682976"	178.026523	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+NH4"	18.033823
"332711"	169.5132495	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+H+NH4"	19.041099
"725863"	249.5095995	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+H+NH4"	19.041099
"1480776"	89.5168995	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H+NH4"	19.041099
"398360"	342.974618	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+Na"	22.989218
"754858"	502.967318	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+Na"	22.989218
"1603802"	182.981918	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Na"	22.989218
"315172"	171.990947	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+H+Na"	23.996494
"707958"	251.987297	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+H+Na"	23.996494
"1462013"	91.994597	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H+Na"	23.996494
"1053935"	61.66549	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2H+Na"	25.00377
"1258655"	193.026186	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+CH3OH+H"	33.033486
"378564"	358.948558	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+K"	38.963158
"739072"	518.941258	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+K"	38.963158
"1541004"	198.955858	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+K"	38.963158
"299759"	179.977917	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+H+K"	39.970434
"692428"	259.974267	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+H+K"	39.970434
"1447710"	99.981567	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H+K"	39.970434
"237036"	362.019226	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+ACN+H"	42.033826
"1213026"	202.026526	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+ACN+H"	42.033826
"1196914"	101.516901	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+ACN+2H"	43.041102
"190879"	364.95656	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+2Na-H"	44.97116
"631534"	524.94926	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+2Na-H"	44.97116
"1133586"	204.96386	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2Na-H"	44.97116
"175783"	182.981918	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+2Na"	45.978436
"615094"	262.978268	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+2Na"	45.978436
"1119567"	102.985568	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2Na"	45.978436
"1401634"	68.992804	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H+2Na"	46.985712
"1431565"	207.005446	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H+HCOOH"	47.012746
"220782"	188.01494	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+3H2O+2H"	56.04448
"1511166"	221.05749	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+IsoProp+H"	61.06479
"411945"	190.968888	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+Na+K"	61.952376
"777314"	270.965238	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+Na+K"	61.952376
"1666592"	110.972538	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Na+K"	61.952376
"255789"	384.001168	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+ACN+Na"	64.015768
"1233966"	224.008468	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+ACN+Na"	64.015768
"1723947"	224.031993	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+NH4+HCOOH"	64.039293
"1186025"	76.320118	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+3Na"	68.967654
"1659196"	228.987388	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Na+HCOOH"	68.994688
"169336"	396.90444	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+2K-H"	76.91904
"607803"	556.89714	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+2K-H"	76.91904
"1094503"	236.91174	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2K-H"	76.91904
"154478"	198.955858	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"2M+2K"	77.926316
"594161"	278.952208	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"3M+2K"	77.926316
"1078672"	118.959508	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2K"	77.926316
"1113827"	238.926292	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2K+H"	78.933592
"1348879"	239.013907	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+DMSO+H"	79.021207
"1014615"	243.053076	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2ACN+H"	83.060376
"1530557"	244.046708	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+IsoProp+Na+H"	84.054008
"993720"	122.030176	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+2ACN+2H"	84.067652
"1587621"	244.961328	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+K+HCOOH"	84.968628
"1415105"	274.992838	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+H+CF3COOH"	115.000138
"1161928"	142.543451	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+3ACN+2H"	125.094202
"1710140"	292.019385	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+NH4+CF3COOH"	132.026685
"1646884"	296.97478	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+Na+CF3COOH"	136.98208
"1584720"	312.94872	"C07102"	"5-Chloro-124-trihydroxybenzene"	"C6H5ClO3"	"159.9927"	"M+K+CF3COOH"	152.95602
"805245"	124.016	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M"	0
"974766"	104.99761	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-H2O-H"	-19.01839
"69206"	81.6700573333333	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M-3H"	-3.021828
"508764"	123.008724	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M-3H"	-3.021828
"890940"	40.3313906666667	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-3H"	-3.021828
"12796"	123.008724	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M-2H"	-2.014552
"449075"	185.016724	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M-2H"	-2.014552
"824692"	61.000724	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-2H"	-2.014552
"89058"	247.024724	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M-H"	-1.007276
"531541"	371.040724	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M-H"	-1.007276
"903137"	123.008724	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-H"	-1.007276
"61652"	264.051271	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M-2H+NH4"	16.019271
"501939"	388.067271	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M-2H+NH4"	16.019271
"869412"	140.035271	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-2H+NH4"	16.019271
"43870"	269.006666	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M-2H+Na"	20.974666
"476869"	393.022666	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M-2H+Na"	20.974666
"851028"	144.990666	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-2H+Na"	20.974666
"1619955"	144.990666	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Na-2H"	20.974666
"102928"	140.997063	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M-H+Cl"	33.962126
"537382"	203.005063	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M-H+Cl"	33.962126
"937096"	78.989063	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-H+Cl"	33.962126
"277839"	283.001402	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+Cl"	34.969402
"670261"	407.017402	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+Cl"	34.969402
"1280477"	158.985402	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Cl"	34.969402
"27407"	284.980606	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M-2H+K"	36.948606
"461503"	408.996606	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M-2H+K"	36.948606
"836023"	160.964606	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-2H+K"	36.948606
"1569355"	160.964606	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+K-2H"	36.948606
"956873"	169.014194	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-H+HCOOH"	44.998194
"372173"	293.030201	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+HCOOH-H"	44.998201
"358611"	307.045851	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+Hac-H"	59.013851
"1506713"	183.029851	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Hac-H"	59.013851
"972431"	190.996151	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-H+NaCOOH"	66.980151
"123164"	158.985402	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+2Cl"	69.938804
"557621"	220.993402	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+2Cl"	69.938804
"1032982"	96.977402	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2Cl"	69.938804
"1255113"	202.934885	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Br"	78.918885
"1317926"	204.990872	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Cl+HCOOH"	80.974872
"1328131"	226.972829	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Cl+NaCOOH"	102.956829
"919186"	237.001586	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M-H+CF3COOH"	112.985586
"1292981"	272.978264	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Cl+CF3COOH"	148.962264
"1371873"	89.003324	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H-2H2O"	-35.012676
"1387180"	107.0133	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H-H2O"	-17.0027
"286865"	249.039276	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+H"	1.007276
"678194"	373.055276	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+H"	1.007276
"1353088"	125.023276	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H"	1.007276
"133634"	125.023276	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+2H"	2.014552
"568453"	187.031276	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+2H"	2.014552
"1040173"	63.015276	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2H"	2.014552
"210265"	83.6846093333333	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+3H"	3.021828
"652012"	125.023276	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+3H"	3.021828
"1169043"	42.3459426666667	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+3H"	3.021828
"431223"	266.065823	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+NH4"	18.033823
"790032"	390.081823	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+NH4"	18.033823
"1683086"	142.049823	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+NH4"	18.033823
"335737"	133.5365495	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+H+NH4"	19.041099
"727066"	195.5445495	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+H+NH4"	19.041099
"1483072"	71.5285495	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H+NH4"	19.041099
"397377"	271.021218	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+Na"	22.989218
"756549"	395.037218	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+Na"	22.989218
"1602974"	147.005218	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Na"	22.989218
"314509"	136.014247	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+H+Na"	23.996494
"707335"	198.022247	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+H+Na"	23.996494
"1461472"	74.006247	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H+Na"	23.996494
"1055990"	49.6732566666667	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2H+Na"	25.00377
"1258157"	157.049486	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+CH3OH+H"	33.033486
"378068"	286.995158	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+K"	38.963158
"738669"	411.011158	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+K"	38.963158
"1540750"	162.979158	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+K"	38.963158
"299751"	144.001217	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+H+K"	39.970434
"692659"	206.009217	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+H+K"	39.970434
"1446483"	81.993217	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H+K"	39.970434
"237880"	290.065826	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+ACN+H"	42.033826
"1213136"	166.049826	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+ACN+H"	42.033826
"1197749"	83.528551	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+ACN+2H"	43.041102
"190259"	293.00316	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+2Na-H"	44.97116
"630548"	417.01916	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+2Na-H"	44.97116
"1134060"	168.98716	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2Na-H"	44.97116
"179173"	147.005218	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+2Na"	45.978436
"613990"	209.013218	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+2Na"	45.978436
"1117252"	84.997218	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2Na"	45.978436
"1399198"	57.0005706666667	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H+2Na"	46.985712
"1430825"	171.028746	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H+HCOOH"	47.012746
"221016"	152.03824	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+3H2O+2H"	56.04448
"1512733"	185.08079	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+IsoProp+H"	61.06479
"412055"	154.992188	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+Na+K"	61.952376
"772321"	217.000188	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+Na+K"	61.952376
"1667917"	92.984188	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Na+K"	61.952376
"255899"	312.047768	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+ACN+Na"	64.015768
"1234075"	188.031768	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+ACN+Na"	64.015768
"1725150"	188.055293	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+NH4+HCOOH"	64.039293
"1187227"	64.3278846666667	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+3Na"	68.967654
"1659306"	193.010688	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Na+HCOOH"	68.994688
"167258"	324.95104	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+2K-H"	76.91904
"607914"	448.96704	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+2K-H"	76.91904
"1095707"	200.93504	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2K-H"	76.91904
"156412"	162.979158	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"2M+2K"	77.926316
"595973"	224.987158	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"3M+2K"	77.926316
"1079875"	100.971158	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2K"	77.926316
"1114788"	202.949592	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2K+H"	78.933592
"1351097"	203.037207	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+DMSO+H"	79.021207
"1013632"	207.076376	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2ACN+H"	83.060376
"1530663"	208.070008	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+IsoProp+Na+H"	84.054008
"993830"	104.041826	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+2ACN+2H"	84.067652
"1588092"	208.984628	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+K+HCOOH"	84.968628
"1414400"	239.016138	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+H+CF3COOH"	115.000138
"1158879"	124.555101	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+3ACN+2H"	125.094202
"1710250"	256.042685	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+NH4+CF3COOH"	132.026685
"1646994"	260.99808	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+Na+CF3COOH"	136.98208
"1584830"	276.97202	"C07103"	"2-Hydroxy-14-benzoquinone;Hydroxybenzoquinone"	"C6H4O3"	"124.016"	"M+K+CF3COOH"	152.95602
"811917"	327.1138	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M"	0
"979982"	308.09541	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-H2O-H"	-19.01839
"69316"	217.068590666667	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M-3H"	-3.021828
"512157"	326.106524	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M-3H"	-3.021828
"889959"	108.030657333333	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-3H"	-3.021828
"11813"	326.106524	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M-2H"	-2.014552
"448093"	489.663424	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M-2H"	-2.014552
"822613"	162.549624	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-2H"	-2.014552
"81511"	653.220324	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M-H"	-1.007276
"523258"	980.334124	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M-H"	-1.007276
"909810"	326.106524	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-H"	-1.007276
"58715"	670.246871	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M-2H+NH4"	16.019271
"500708"	997.360671	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M-2H+NH4"	16.019271
"868428"	343.133071	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-2H+NH4"	16.019271
"42887"	675.202266	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M-2H+Na"	20.974666
"473335"	1002.316066	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M-2H+Na"	20.974666
"856973"	348.088466	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-2H+Na"	20.974666
"1627601"	348.088466	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Na-2H"	20.974666
"105225"	344.094863	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M-H+Cl"	33.962126
"540411"	507.651763	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M-H+Cl"	33.962126
"936113"	180.537963	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-H+Cl"	33.962126
"274671"	689.197002	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+Cl"	34.969402
"667090"	1016.310802	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+Cl"	34.969402
"1282774"	362.083202	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Cl"	34.969402
"24239"	691.176206	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M-2H+K"	36.948606
"468171"	1018.290006	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M-2H+K"	36.948606
"839415"	364.062406	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-2H+K"	36.948606
"1561808"	364.062406	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+K-2H"	36.948606
"957351"	372.111994	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-H+HCOOH"	44.998194
"369003"	699.225801	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+HCOOH-H"	44.998201
"359449"	713.241451	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+Hac-H"	59.013851
"1505733"	386.127651	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Hac-H"	59.013851
"968168"	394.093951	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-H+NaCOOH"	66.980151
"118167"	362.083202	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+2Cl"	69.938804
"561012"	525.640102	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+2Cl"	69.938804
"1033091"	198.526302	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2Cl"	69.938804
"1254860"	406.032685	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Br"	78.918885
"1315120"	408.088672	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Cl+HCOOH"	80.974872
"1330428"	430.070629	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Cl+NaCOOH"	102.956829
"918206"	440.099386	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M-H+CF3COOH"	112.985586
"1292730"	476.076064	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Cl+CF3COOH"	148.962264
"1374172"	292.101124	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H-2H2O"	-35.012676
"1386562"	310.1111	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H-H2O"	-17.0027
"285886"	655.234876	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+H"	1.007276
"682684"	982.348676	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+H"	1.007276
"1359763"	328.121076	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H"	1.007276
"134474"	328.121076	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+2H"	2.014552
"568201"	491.677976	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+2H"	2.014552
"1046849"	164.564176	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2H"	2.014552
"209284"	219.083142666667	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+3H"	3.021828
"649937"	328.121076	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+3H"	3.021828
"1170249"	110.045209333333	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+3H"	3.021828
"431334"	672.261423	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+NH4"	18.033823
"790143"	999.375223	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+NH4"	18.033823
"1686475"	345.147623	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+NH4"	18.033823
"335847"	336.6343495	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+H+NH4"	19.041099
"726080"	500.1912495	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+H+NH4"	19.041099
"1477344"	173.0774495	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H+NH4"	19.041099
"393836"	677.216818	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+Na"	22.989218
"754308"	1004.330618	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+Na"	22.989218
"1603008"	350.103018	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Na"	22.989218
"314417"	339.112047	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+H+Na"	23.996494
"707147"	502.668947	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+H+Na"	23.996494
"1461502"	175.555147	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H+Na"	23.996494
"1053018"	117.372523333333	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2H+Na"	25.00377
"1257660"	360.147286	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+CH3OH+H"	33.033486
"379272"	693.190758	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+K"	38.963158
"740632"	1020.304558	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+K"	38.963158
"1540860"	366.076958	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+K"	38.963158
"300592"	347.099017	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+H+K"	39.970434
"694475"	510.655917	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+H+K"	39.970434
"1446470"	183.542117	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H+K"	39.970434
"236167"	696.261426	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+ACN+H"	42.033826
"1211788"	369.147626	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+ACN+H"	42.033826
"1194820"	185.077451	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+ACN+2H"	43.041102
"189274"	699.19876	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+2Na-H"	44.97116
"630657"	1026.31256	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+2Na-H"	44.97116
"1132707"	372.08496	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2Na-H"	44.97116
"173121"	350.103018	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+2Na"	45.978436
"613001"	513.659918	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+2Na"	45.978436
"1115779"	186.546118	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2Na"	45.978436
"1399062"	124.699837333333	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H+2Na"	46.985712
"1430690"	374.126546	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H+HCOOH"	47.012746
"220117"	355.13604	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+3H2O+2H"	56.04448
"1512479"	388.17859	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+IsoProp+H"	61.06479
"410100"	358.089988	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+Na+K"	61.952376
"774254"	521.646888	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+Na+K"	61.952376
"1671678"	194.533088	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Na+K"	61.952376
"260385"	718.243368	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+ACN+Na"	64.015768
"1233093"	391.129568	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+ACN+Na"	64.015768
"1717607"	391.153093	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+NH4+HCOOH"	64.039293
"1187337"	132.027151333333	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+3Na"	68.967654
"1659415"	396.108488	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Na+HCOOH"	68.994688
"167371"	731.14664	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+2K-H"	76.91904
"609120"	1058.26044	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+2K-H"	76.91904
"1096913"	404.03284	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2K-H"	76.91904
"152636"	366.076958	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"2M+2K"	77.926316
"596087"	529.633858	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"3M+2K"	77.926316
"1082662"	202.520058	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2K"	77.926316
"1115474"	406.047392	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2K+H"	78.933592
"1350925"	406.135007	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+DMSO+H"	79.021207
"1013742"	410.174176	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2ACN+H"	83.060376
"1527495"	411.167808	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+IsoProp+Na+H"	84.054008
"991272"	205.590726	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+2ACN+2H"	84.067652
"1587838"	412.082428	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+K+HCOOH"	84.968628
"1414713"	442.113938	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+H+CF3COOH"	115.000138
"1160446"	226.104001	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+3ACN+2H"	125.094202
"1709268"	459.140485	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+NH4+CF3COOH"	132.026685
"1647103"	464.09588	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+Na+CF3COOH"	136.98208
"1578379"	480.06982	"C07104"	"Loxapine"	"C18H18ClN3O"	"327.1138"	"M+K+CF3COOH"	152.95602
"815306"	1055.4317	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M"	0
"986657"	1036.41331	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-H2O-H"	-19.01839
"75990"	702.613857333333	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M-3H"	-3.021828
"513364"	1054.424424	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M-3H"	-3.021828
"888977"	350.803290666667	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-3H"	-3.021828
"14111"	1054.424424	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M-2H"	-2.014552
"448208"	1582.140274	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M-2H"	-2.014552
"826009"	526.708574	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-2H"	-2.014552
"92567"	2109.856124	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M-H"	-1.007276
"531998"	3165.287824	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M-H"	-1.007276
"909558"	1054.424424	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-H"	-1.007276
"60781"	2126.882671	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M-2H+NH4"	16.019271
"500454"	3182.314371	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M-2H+NH4"	16.019271
"870726"	1071.450971	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-2H+NH4"	16.019271
"37530"	2131.838066	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M-2H+Na"	20.974666
"472717"	3187.269766	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M-2H+Na"	20.974666
"849424"	1076.406366	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-2H+Na"	20.974666
"1620419"	1076.406366	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Na-2H"	20.974666
"108621"	1072.412763	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M-H+Cl"	33.962126
"547088"	1600.128613	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M-H+Cl"	33.962126
"936592"	544.696913	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-H+Cl"	33.962126
"275877"	2145.832802	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+Cl"	34.969402
"669390"	3201.264502	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+Cl"	34.969402
"1281794"	1090.401102	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Cl"	34.969402
"25443"	2147.812006	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M-2H+K"	36.948606
"468285"	3203.243706	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M-2H+K"	36.948606
"841713"	1092.380306	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-2H+K"	36.948606
"1566294"	1092.380306	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+K-2H"	36.948606
"956731"	1100.429894	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-H+HCOOH"	44.998194
"369112"	2155.861601	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+HCOOH-H"	44.998201
"354089"	2169.877251	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+Hac-H"	59.013851
"1505840"	1114.445551	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Hac-H"	59.013851
"967185"	1122.411851	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-H+NaCOOH"	66.980151
"121560"	1090.401102	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+2Cl"	69.938804
"561123"	1618.116952	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+2Cl"	69.938804
"1032110"	562.685252	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2Cl"	69.938804
"1254971"	1134.350585	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Br"	78.918885
"1319242"	1136.406572	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Cl+HCOOH"	80.974872
"1329447"	1158.388529	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Cl+NaCOOH"	102.956829
"923057"	1168.417286	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M-H+CF3COOH"	112.985586
"1293935"	1204.393964	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Cl+CF3COOH"	148.962264
"1373189"	1020.419024	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H-2H2O"	-35.012676
"1386674"	1038.429	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H-H2O"	-17.0027
"290372"	2111.870676	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+H"	1.007276
"679512"	3167.302376	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+H"	1.007276
"1360236"	1056.438976	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H"	1.007276
"134218"	1056.438976	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+2H"	2.014552
"578887"	1584.154826	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+2H"	2.014552
"1045866"	528.723126	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2H"	2.014552
"210490"	704.628409333333	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+3H"	3.021828
"654424"	1056.438976	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+3H"	3.021828
"1169268"	352.817842666667	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+3H"	3.021828
"435818"	2128.897223	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+NH4"	18.033823
"793531"	3184.328923	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+NH4"	18.033823
"1681845"	1073.465523	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+NH4"	18.033823
"332679"	1064.9522495	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+H+NH4"	19.041099
"723638"	1592.6680995	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+H+NH4"	19.041099
"1477054"	537.2363995	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H+NH4"	19.041099
"392888"	2133.852618	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+Na"	22.989218
"754487"	3189.284318	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+Na"	22.989218
"1603155"	1078.420918	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Na"	22.989218
"314299"	1067.429947	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+H+Na"	23.996494
"709512"	1595.145797	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+H+Na"	23.996494
"1465156"	539.714097	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H+Na"	23.996494
"1053659"	360.145156666667	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2H+Na"	25.00377
"1258983"	1088.465186	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+CH3OH+H"	33.033486
"377473"	2149.826558	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+K"	38.963158
"739030"	3205.258258	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+K"	38.963158
"1540479"	1094.394858	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+K"	38.963158
"300699"	1075.416917	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+H+K"	39.970434
"693120"	1603.132767	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+H+K"	39.970434
"1446581"	547.701067	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H+K"	39.970434
"236641"	2152.897226	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+ACN+H"	42.033826
"1210801"	1097.465526	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+ACN+H"	42.033826
"1195053"	549.236401	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+ACN+2H"	43.041102
"188854"	2155.83456	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+2Na-H"	44.97116
"631133"	3211.26626	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+2Na-H"	44.97116
"1135010"	1100.40286	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2Na-H"	44.97116
"173921"	1078.420918	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+2Na"	45.978436
"613193"	1606.136768	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+2Na"	45.978436
"1115963"	550.705068	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2Na"	45.978436
"1398962"	367.472470666667	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H+2Na"	46.985712
"1430105"	1102.444446	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H+HCOOH"	47.012746
"220294"	1083.45394	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+3H2O+2H"	56.04448
"1510397"	1116.49649	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+IsoProp+H"	61.06479
"410816"	1086.407888	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+Na+K"	61.952376
"780926"	1614.123738	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+Na+K"	61.952376
"1677259"	558.692038	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Na+K"	61.952376
"262686"	2174.879168	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+ACN+Na"	64.015768
"1238674"	1119.447468	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+ACN+Na"	64.015768
"1721002"	1119.470993	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+NH4+HCOOH"	64.039293
"1186356"	374.799784666667	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+3Na"	68.967654
"1660620"	1124.426388	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Na+HCOOH"	68.994688
"169668"	2187.78244	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+2K-H"	76.91904
"609232"	3243.21414	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+2K-H"	76.91904
"1099457"	1132.35074	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2K-H"	76.91904
"153841"	1094.394858	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"2M+2K"	77.926316
"596967"	1622.110708	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"3M+2K"	77.926316
"1083585"	566.679008	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2K"	77.926316
"1113795"	1134.365292	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2K+H"	78.933592
"1347509"	1134.452907	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+DMSO+H"	79.021207
"1014946"	1138.492076	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2ACN+H"	83.060376
"1527604"	1139.485708	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+IsoProp+Na+H"	84.054008
"991140"	569.749676	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+2ACN+2H"	84.067652
"1588312"	1140.400328	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+K+HCOOH"	84.968628
"1414704"	1170.431838	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+H+CF3COOH"	115.000138
"1162259"	590.262951	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+3ACN+2H"	125.094202
"1708282"	1187.458385	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+NH4+CF3COOH"	132.026685
"1643932"	1192.41378	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+Na+CF3COOH"	136.98208
"1585050"	1208.38772	"C07105"	"Lys-vasopressin;Lypressin;8-L-Lysine vasopressin;LVP"	"C46H65N13O12S2"	"1055.4317"	"M+K+CF3COOH"	152.95602
"805574"	186.0463	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M"	0
"979107"	167.02791	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-H2O-H"	-19.01839
"72818"	123.023590666667	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M-3H"	-3.021828
"515659"	185.039024	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M-3H"	-3.021828
"891274"	61.0081573333333	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-3H"	-3.021828
"10941"	185.039024	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M-2H"	-2.014552
"451597"	278.062174	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M-2H"	-2.014552
"829400"	92.015874	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-2H"	-2.014552
"91214"	371.085324	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M-H"	-1.007276
"531501"	557.131624	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M-H"	-1.007276
"908816"	185.039024	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-H"	-1.007276
"58938"	388.111871	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M-2H+NH4"	16.019271
"495217"	574.158171	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M-2H+NH4"	16.019271
"875209"	202.065571	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-2H+NH4"	16.019271
"36547"	393.067266	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M-2H+Na"	20.974666
"471850"	579.113566	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M-2H+Na"	20.974666
"855007"	207.020966	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-2H+Na"	20.974666
"1621258"	207.020966	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Na-2H"	20.974666
"106544"	203.027363	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M-H+Cl"	33.962126
"548909"	296.050513	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M-H+Cl"	33.962126
"941689"	110.004213	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-H+Cl"	33.962126
"275625"	407.062002	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+Cl"	34.969402
"671690"	593.108302	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+Cl"	34.969402
"1285188"	221.015702	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Cl"	34.969402
"28111"	409.041206	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M-2H+K"	36.948606
"467666"	595.087506	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M-2H+K"	36.948606
"844011"	222.994906	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-2H+K"	36.948606
"1568228"	222.994906	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+K-2H"	36.948606
"956116"	231.044494	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-H+HCOOH"	44.998194
"373964"	417.090801	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+HCOOH-H"	44.998201
"358574"	431.106451	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+Hac-H"	59.013851
"1501943"	245.060151	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Hac-H"	59.013851
"972038"	253.026451	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-H+NaCOOH"	66.980151
"120942"	221.015702	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+2Cl"	69.938804
"563057"	314.038852	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+2Cl"	69.938804
"1032220"	127.992552	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2Cl"	69.938804
"1254717"	264.965185	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Br"	78.918885
"1316070"	267.021172	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Cl+HCOOH"	80.974872
"1331014"	289.003129	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Cl+NaCOOH"	102.956829
"918425"	299.031886	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M-H+CF3COOH"	112.985586
"1296232"	335.008564	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Cl+CF3COOH"	148.962264
"1373299"	151.033624	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H-2H2O"	-35.012676
"1386419"	169.0436	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H-H2O"	-17.0027
"287198"	373.099876	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+H"	1.007276
"678893"	559.146176	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+H"	1.007276
"1355972"	187.053576	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H"	1.007276
"128860"	187.053576	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+2H"	2.014552
"578997"	280.076726	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+2H"	2.014552
"1048162"	94.030426	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2H"	2.014552
"213880"	125.038142666667	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+3H"	3.021828
"655627"	187.053576	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+3H"	3.021828
"1172658"	63.0227093333333	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+3H"	3.021828
"434834"	390.126423	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+NH4"	18.033823
"796922"	576.172723	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+NH4"	18.033823
"1684507"	204.080123	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+NH4"	18.033823
"333882"	195.5668495	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+H+NH4"	19.041099
"723380"	288.5899995	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+H+NH4"	19.041099
"1477518"	102.5436995	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H+NH4"	19.041099
"393404"	395.081818	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+Na"	22.989218
"755049"	581.128118	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+Na"	22.989218
"1603266"	209.035518	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Na"	22.989218
"315006"	198.044547	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+H+Na"	23.996494
"708405"	291.067697	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+H+Na"	23.996494
"1465268"	105.021397	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H+Na"	23.996494
"1055231"	70.3500233333333	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2H+Na"	25.00377
"1258001"	219.079786	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+CH3OH+H"	33.033486
"378156"	411.055758	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+K"	38.963158
"740485"	597.102058	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+K"	38.963158
"1541199"	225.009458	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+K"	38.963158
"300807"	206.031517	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+H+K"	39.970434
"693228"	299.054667	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+H+K"	39.970434
"1447055"	113.008367	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H+K"	39.970434
"238209"	414.126426	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+ACN+H"	42.033826
"1212493"	228.080126	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+ACN+H"	42.033826
"1196984"	114.543701	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+ACN+2H"	43.041102
"191313"	417.06376	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+2Na-H"	44.97116
"630150"	603.11006	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+2Na-H"	44.97116
"1133296"	231.01746	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2Na-H"	44.97116
"174396"	209.035518	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+2Na"	45.978436
"613956"	302.058668	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+2Na"	45.978436
"1116321"	116.012368	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2Na"	45.978436
"1399521"	77.6773373333333	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H+2Na"	46.985712
"1430297"	233.059046	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H+HCOOH"	47.012746
"220406"	214.06854	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+3H2O+2H"	56.04448
"1510872"	247.11109	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+IsoProp+H"	61.06479
"411286"	217.022488	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+Na+K"	61.952376
"770825"	310.045638	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+Na+K"	61.952376
"1670803"	123.999338	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Na+K"	61.952376
"257325"	436.108368	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+ACN+Na"	64.015768
"1236596"	250.062068	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+ACN+Na"	64.015768
"1721109"	250.085593	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+NH4+HCOOH"	64.039293
"1187556"	85.0046513333333	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+3Na"	68.967654
"1660730"	255.040988	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Na+HCOOH"	68.994688
"166499"	449.01164	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+2K-H"	76.91904
"608249"	635.05794	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+2K-H"	76.91904
"1094948"	262.96534	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2K-H"	76.91904
"151764"	225.009458	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"2M+2K"	77.926316
"596428"	318.032608	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"3M+2K"	77.926316
"1082155"	131.986308	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2K"	77.926316
"1111232"	264.979892	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2K+H"	78.933592
"1348712"	265.067507	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+DMSO+H"	79.021207
"1013963"	269.106676	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2ACN+H"	83.060376
"1525526"	270.100308	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+IsoProp+Na+H"	84.054008
"991250"	135.056976	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+2ACN+2H"	84.067652
"1587208"	271.014928	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+K+HCOOH"	84.968628
"1414572"	301.046438	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+H+CF3COOH"	115.000138
"1161759"	155.570251	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+3ACN+2H"	125.094202
"1710582"	318.072985	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+NH4+CF3COOH"	132.026685
"1647323"	323.02838	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+Na+CF3COOH"	136.98208
"1585160"	339.00232	"C07106"	"Mafenide"	"C7H10N2O2S"	"186.0463"	"M+K+CF3COOH"	152.95602
"815525"	277.1831	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M"	0
"979217"	258.16471	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-H2O-H"	-19.01839
"75117"	183.781457333333	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M-3H"	-3.021828
"517595"	276.175824	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M-3H"	-3.021828
"893572"	91.3870906666667	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-3H"	-3.021828
"11052"	276.175824	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M-2H"	-2.014552
"454985"	414.767374	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M-2H"	-2.014552
"828413"	137.584274	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-2H"	-2.014552
"86217"	553.358924	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M-H"	-1.007276
"524683"	830.542024	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M-H"	-1.007276
"905767"	276.175824	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-H"	-1.007276
"60142"	570.385471	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M-2H+NH4"	16.019271
"501283"	847.568571	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M-2H+NH4"	16.019271
"872037"	293.202371	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-2H+NH4"	16.019271
"36657"	575.340866	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M-2H+Na"	20.974666
"472088"	852.523966	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M-2H+Na"	20.974666
"855117"	298.157766	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-2H+Na"	20.974666
"1618935"	298.157766	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Na-2H"	20.974666
"106652"	294.164163	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M-H+Cl"	33.962126
"549257"	432.755713	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M-H+Cl"	33.962126
"942166"	155.572613	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-H+Cl"	33.962126
"277923"	589.335602	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+Cl"	34.969402
"672894"	866.518702	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+Cl"	34.969402
"1287614"	312.152502	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Cl"	34.969402
"29679"	591.314806	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M-2H+K"	36.948606
"469965"	868.497906	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M-2H+K"	36.948606
"847285"	314.131706	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-2H+K"	36.948606
"1569796"	314.131706	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+K-2H"	36.948606
"956957"	322.181294	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-H+HCOOH"	44.998194
"374804"	599.364401	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+HCOOH-H"	44.998201
"358322"	613.380051	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+Hac-H"	59.013851
"1503147"	336.196951	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Hac-H"	59.013851
"967408"	344.163251	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-H+NaCOOH"	66.980151
"121052"	312.152502	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+2Cl"	69.938804
"562802"	450.744052	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+2Cl"	69.938804
"1033787"	173.560952	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2Cl"	69.938804
"1255192"	356.101985	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Br"	78.918885
"1318732"	358.157972	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Cl+HCOOH"	80.974872
"1332217"	380.139929	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Cl+NaCOOH"	102.956829
"923277"	390.168686	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M-H+CF3COOH"	112.985586
"1303148"	426.145364	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Cl+CF3COOH"	148.962264
"1382044"	242.170424	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H-2H2O"	-35.012676
"1392000"	260.1804	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H-H2O"	-17.0027
"285852"	555.373476	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+H"	1.007276
"682649"	832.556576	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+H"	1.007276
"1352922"	278.190376	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H"	1.007276
"131158"	278.190376	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+2H"	2.014552
"579107"	416.781926	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+2H"	2.014552
"1050459"	139.598826	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2H"	2.014552
"216177"	185.796009333333	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+3H"	3.021828
"657924"	278.190376	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+3H"	3.021828
"1176049"	93.4016426666667	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+3H"	3.021828
"436039"	572.400023	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+NH4"	18.033823
"798492"	849.583123	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+NH4"	18.033823
"1694459"	295.216923	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+NH4"	18.033823
"333992"	286.7036495	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+H+NH4"	19.041099
"732973"	425.2951995	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+H+NH4"	19.041099
"1478404"	148.1120995	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H+NH4"	19.041099
"393440"	577.355418	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+Na"	22.989218
"757717"	854.538518	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+Na"	22.989218
"1603256"	300.172318	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Na"	22.989218
"314551"	289.181347	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+H+Na"	23.996494
"708030"	427.772897	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+H+Na"	23.996494
"1467565"	150.589797	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H+Na"	23.996494
"1053518"	100.728956666667	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2H+Na"	25.00377
"1257424"	310.216586	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+CH3OH+H"	33.033486
"379239"	593.329358	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+K"	38.963158
"739867"	870.512458	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+K"	38.963158
"1541190"	316.146258	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+K"	38.963158
"300917"	297.168317	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+H+K"	39.970434
"691881"	435.759867	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+H+K"	39.970434
"1447163"	158.576767	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H+K"	39.970434
"241603"	596.400026	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+ACN+H"	42.033826
"1213582"	319.216926	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+ACN+H"	42.033826
"1200382"	160.112101	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+ACN+2H"	43.041102
"190697"	599.33736	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+2Na-H"	44.97116
"631719"	876.52046	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+2Na-H"	44.97116
"1136325"	322.15426	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2Na-H"	44.97116
"174873"	300.172318	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+2Na"	45.978436
"614067"	438.763868	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+2Na"	45.978436
"1116480"	161.580768	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2Na"	45.978436
"1398901"	108.056270666667	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H+2Na"	46.985712
"1431505"	324.195846	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H+HCOOH"	47.012746
"221821"	305.20534	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+3H2O+2H"	56.04448
"1512805"	338.24789	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+IsoProp+H"	61.06479
"410667"	308.159288	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+Na+K"	61.952376
"770935"	446.750838	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+Na+K"	61.952376
"1667627"	169.567738	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Na+K"	61.952376
"254149"	618.381968	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+ACN+Na"	64.015768
"1228318"	341.198868	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+ACN+Na"	64.015768
"1717937"	341.222393	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+NH4+HCOOH"	64.039293
"1183292"	115.383584666667	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+3Na"	68.967654
"1660840"	346.177788	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Na+HCOOH"	68.994688
"167703"	631.28524	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+2K-H"	76.91904
"606173"	908.46834	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+2K-H"	76.91904
"1095058"	354.10214	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2K-H"	76.91904
"151874"	316.146258	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"2M+2K"	77.926316
"593621"	454.737808	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"3M+2K"	77.926316
"1081413"	177.554708	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2K"	77.926316
"1110247"	356.116692	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2K+H"	78.933592
"1348818"	356.204307	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+DMSO+H"	79.021207
"1012980"	360.243476	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2ACN+H"	83.060376
"1524904"	361.237108	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+IsoProp+Na+H"	84.054008
"993184"	180.625376	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+2ACN+2H"	84.067652
"1587441"	362.151728	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+K+HCOOH"	84.968628
"1414436"	392.183238	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+H+CF3COOH"	115.000138
"1161384"	201.138651	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+3ACN+2H"	125.094202
"1709963"	409.209785	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+NH4+CF3COOH"	132.026685
"1647433"	414.16518	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+Na+CF3COOH"	136.98208
"1585270"	430.13912	"C07107"	"Maprotiline"	"C20H23N"	"277.1831"	"M+K+CF3COOH"	152.95602
"805794"	371.2249	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M"	0
"979327"	352.20651	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-H2O-H"	-19.01839
"74132"	246.475990666667	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M-3H"	-3.021828
"512599"	370.217624	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M-3H"	-3.021828
"888214"	122.734357333333	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-3H"	-3.021828
"5694"	370.217624	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M-2H"	-2.014552
"448535"	555.830074	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M-2H"	-2.014552
"828523"	184.605174	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-2H"	-2.014552
"83047"	741.442524	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M-H"	-1.007276
"522605"	1112.667424	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M-H"	-1.007276
"900409"	370.217624	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-H"	-1.007276
"52595"	758.469071	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M-2H+NH4"	16.019271
"498718"	1129.693971	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M-2H+NH4"	16.019271
"868867"	387.244171	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-2H+NH4"	16.019271
"33487"	763.424466	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M-2H+Na"	20.974666
"472309"	1134.649366	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M-2H+Na"	20.974666
"855227"	392.199566	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-2H+Na"	20.974666
"1618925"	392.199566	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Na-2H"	20.974666
"106758"	388.205963	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M-H+Cl"	33.962126
"549650"	573.818413	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M-H+Cl"	33.962126
"942397"	202.593513	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-H+Cl"	33.962126
"282411"	777.419202	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+Cl"	34.969402
"674825"	1148.644102	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+Cl"	34.969402
"1287603"	406.194302	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Cl"	34.969402
"30759"	779.398406	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M-2H+K"	36.948606
"469345"	1150.623306	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M-2H+K"	36.948606
"847877"	408.173506	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-2H+K"	36.948606
"1570269"	408.173506	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+K-2H"	36.948606
"958038"	416.223094	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-H+HCOOH"	44.998194
"374185"	787.448001	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+HCOOH-H"	44.998201
"358432"	801.463651	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+Hac-H"	59.013851
"1504717"	430.238751	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Hac-H"	59.013851
"966425"	438.205051	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-H+NaCOOH"	66.980151
"121161"	406.194302	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+2Cl"	69.938804
"562912"	591.806752	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+2Cl"	69.938804
"1033897"	220.581852	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2Cl"	69.938804
"1254207"	450.143785	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Br"	78.918885
"1317749"	452.199772	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Cl+HCOOH"	80.974872
"1328683"	474.181729	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Cl+NaCOOH"	102.956829
"924844"	484.210486	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M-H+CF3COOH"	112.985586
"1302530"	520.187164	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Cl+CF3COOH"	148.962264
"1381788"	336.212224	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H-2H2O"	-35.012676
"1389924"	354.2222	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H-H2O"	-17.0027
"285234"	743.457076	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+H"	1.007276
"682759"	1114.681976	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+H"	1.007276
"1352911"	372.232176	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H"	1.007276
"130175"	372.232176	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+2H"	2.014552
"578488"	557.844626	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+2H"	2.014552
"1048383"	186.619726	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2H"	2.014552
"214100"	248.490542666667	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+3H"	3.021828
"657670"	372.232176	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+3H"	3.021828
"1175065"	124.748909333333	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+3H"	3.021828
"435055"	760.483623	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+NH4"	18.033823
"796050"	1131.708523	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+NH4"	18.033823
"1696391"	389.258723	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+NH4"	18.033823
"333009"	380.7454495	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+H+NH4"	19.041099
"733083"	566.3578995	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+H+NH4"	19.041099
"1477908"	195.1329995	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H+NH4"	19.041099
"393672"	765.439018	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+Na"	22.989218
"757827"	1136.663918	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+Na"	22.989218
"1603128"	394.214118	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Na"	22.989218
"314376"	383.223147	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+H+Na"	23.996494
"708140"	568.835597	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+H+Na"	23.996494
"1465852"	197.610697	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H+Na"	23.996494
"1052935"	132.076223333333	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2H+Na"	25.00377
"1257857"	404.258386	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+CH3OH+H"	33.033486
"377527"	781.412958	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+K"	38.963158
"739127"	1152.637858	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+K"	38.963158
"1541663"	410.188058	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+K"	38.963158
"300298"	391.210117	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+H+K"	39.970434
"691784"	576.822567	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+H+K"	39.970434
"1445854"	205.597667	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H+K"	39.970434
"238433"	784.483626	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+ACN+H"	42.033826
"1211140"	413.258726	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+ACN+H"	42.033826
"1197576"	207.133001	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+ACN+2H"	43.041102
"190562"	787.42096	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+2Na-H"	44.97116
"629765"	1158.64586	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+2Na-H"	44.97116
"1133155"	416.19606	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2Na-H"	44.97116
"173766"	394.214118	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+2Na"	45.978436
"612861"	579.826568	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+2Na"	45.978436
"1116591"	208.601668	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2Na"	45.978436
"1399255"	139.403537333333	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H+2Na"	46.985712
"1431493"	418.237646	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H+HCOOH"	47.012746
"221687"	399.24714	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+3H2O+2H"	56.04448
"1510727"	432.28969	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+IsoProp+H"	61.06479
"411141"	402.201088	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+Na+K"	61.952376
"771773"	587.813538	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+Na+K"	61.952376
"1666644"	216.588638	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Na+K"	61.952376
"254259"	806.465568	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+ACN+Na"	64.015768
"1228426"	435.240668	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+ACN+Na"	64.015768
"1718045"	435.264193	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+NH4+HCOOH"	64.039293
"1183402"	146.730851333333	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+3Na"	68.967654
"1658763"	440.219588	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Na+HCOOH"	68.994688
"167813"	819.36884	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+2K-H"	76.91904
"605189"	1190.59374	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+2K-H"	76.91904
"1095168"	448.14394	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2K-H"	76.91904
"151984"	410.188058	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"2M+2K"	77.926316
"591544"	595.800508	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"3M+2K"	77.926316
"1078243"	224.575608	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2K"	77.926316
"1110357"	450.158492	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2K+H"	78.933592
"1347835"	450.246107	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+DMSO+H"	79.021207
"1011997"	454.285276	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2ACN+H"	83.060376
"1525017"	455.278908	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+IsoProp+Na+H"	84.054008
"993294"	227.646276	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+2ACN+2H"	84.067652
"1588890"	456.193528	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+K+HCOOH"	84.968628
"1415521"	486.225038	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+H+CF3COOH"	115.000138
"1161253"	248.159551	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+3ACN+2H"	125.094202
"1710802"	503.251585	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+NH4+CF3COOH"	132.026685
"1647543"	508.20698	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+Na+CF3COOH"	136.98208
"1585380"	524.18092	"C07108"	"Tamoxifen"	"C26H29NO"	"371.2249"	"M+K+CF3COOH"	152.95602
"802988"	106.0783	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M"	0
"979437"	87.05991	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-H2O-H"	-19.01839
"70961"	69.7115906666667	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M-3H"	-3.021828
"512709"	105.071024	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M-3H"	-3.021828
"890511"	34.3521573333333	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-3H"	-3.021828
"5804"	105.071024	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M-2H"	-2.014552
"444271"	158.110174	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M-2H"	-2.014552
"826446"	52.031874	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-2H"	-2.014552
"80970"	211.149324	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M-H"	-1.007276
"518943"	317.227624	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M-H"	-1.007276
"895731"	105.071024	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-H"	-1.007276
"48204"	228.175871	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M-2H+NH4"	16.019271
"498464"	334.254171	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M-2H+NH4"	16.019271
"868977"	122.097571	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-2H+NH4"	16.019271
"31662"	233.131266	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M-2H+Na"	20.974666
"471530"	339.209566	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M-2H+Na"	20.974666
"849991"	127.052966	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-2H+Na"	20.974666
"1618526"	127.052966	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Na-2H"	20.974666
"101399"	123.059363	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M-H+Cl"	33.962126
"547159"	176.098513	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M-H+Cl"	33.962126
"939947"	70.020213	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-H+Cl"	33.962126
"281056"	247.126002	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+Cl"	34.969402
"673840"	353.204302	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+Cl"	34.969402
"1282236"	141.047702	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Cl"	34.969402
"26977"	249.105206	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M-2H+K"	36.948606
"466537"	355.183506	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M-2H+K"	36.948606
"842153"	143.026906	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-2H+K"	36.948606
"1568920"	143.026906	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+K-2H"	36.948606
"952432"	151.076494	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-H+HCOOH"	44.998194
"372836"	257.154801	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+HCOOH-H"	44.998201
"351252"	271.170451	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+Hac-H"	59.013851
"1500086"	165.092151	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Hac-H"	59.013851
"963255"	173.058451	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-H+NaCOOH"	66.980151
"120179"	141.047702	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+2Cl"	69.938804
"561562"	194.086852	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+2Cl"	69.938804
"1029268"	88.008552	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2Cl"	69.938804
"1246663"	184.997185	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Br"	78.918885
"1311296"	187.053172	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Cl+HCOOH"	80.974872
"1324052"	209.035129	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Cl+NaCOOH"	102.956829
"914018"	219.063886	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M-H+CF3COOH"	112.985586
"1298750"	255.040564	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Cl+CF3COOH"	148.962264
"1379828"	71.065624	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H-2H2O"	-35.012676
"1386754"	89.0756	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H-H2O"	-17.0027
"286437"	213.163876	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+H"	1.007276
"682505"	319.242176	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+H"	1.007276
"1353021"	107.085576	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H"	1.007276
"127368"	107.085576	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+2H"	2.014552
"573132"	160.124726	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+2H"	2.014552
"1039746"	54.046426	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2H"	2.014552
"216397"	71.7261426666667	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+3H"	3.021828
"657052"	107.085576	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+3H"	3.021828
"1174082"	36.3667093333333	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+3H"	3.021828
"435165"	230.190423	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+NH4"	18.033823
"792880"	336.268723	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+NH4"	18.033823
"1693586"	124.112123	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+NH4"	18.033823
"333119"	115.5988495	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+H+NH4"	19.041099
"732100"	168.6379995	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+H+NH4"	19.041099
"1477068"	62.5596995	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H+NH4"	19.041099
"392984"	235.145818	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+Na"	22.989218
"757937"	341.224118	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+Na"	22.989218
"1603847"	129.067518	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Na"	22.989218
"314612"	118.076547	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+H+Na"	23.996494
"707157"	171.115697	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+H+Na"	23.996494
"1461530"	65.037397	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H+Na"	23.996494
"1053124"	43.6940233333333	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2H+Na"	25.00377
"1257108"	139.111786	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+CH3OH+H"	33.033486
"377164"	251.119758	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+K"	38.963158
"738703"	357.198058	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+K"	38.963158
"1541043"	145.041458	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+K"	38.963158
"298609"	126.063517	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+H+K"	39.970434
"691425"	179.102667	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+H+K"	39.970434
"1446046"	73.024367	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H+K"	39.970434
"237084"	254.190426	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+ACN+H"	42.033826
"1211248"	148.112126	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+ACN+H"	42.033826
"1195253"	74.559701	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+ACN+2H"	43.041102
"190554"	257.12776	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+2Na-H"	44.97116
"629389"	363.20606	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+2Na-H"	44.97116
"1133507"	151.04946	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2Na-H"	44.97116
"173268"	129.067518	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+2Na"	45.978436
"613063"	182.106668	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+2Na"	45.978436
"1115722"	76.028368	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2Na"	45.978436
"1398838"	51.0213373333333	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H+2Na"	46.985712
"1430630"	153.091046	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H+HCOOH"	47.012746
"220459"	134.10054	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+3H2O+2H"	56.04448
"1511930"	167.14309	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+IsoProp+H"	61.06479
"409429"	137.054488	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+Na+K"	61.952376
"771883"	190.093638	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+Na+K"	61.952376
"1665854"	84.015338	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Na+K"	61.952376
"251611"	276.172368	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+ACN+Na"	64.015768
"1226714"	170.094068	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+ACN+Na"	64.015768
"1717062"	170.117593	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+NH4+HCOOH"	64.039293
"1184605"	58.3486513333333	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+3Na"	68.967654
"1651580"	175.072988	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Na+HCOOH"	68.994688
"161360"	289.07564	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+2K-H"	76.91904
"606392"	395.15394	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+2K-H"	76.91904
"1095277"	182.99734	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2K-H"	76.91904
"151000"	145.041458	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"2M+2K"	77.926316
"592746"	198.080608	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"3M+2K"	77.926316
"1076166"	92.002308	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2K"	77.926316
"1110467"	185.011892	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2K+H"	78.933592
"1347945"	185.099507	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+DMSO+H"	79.021207
"1013199"	189.138676	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2ACN+H"	83.060376
"1526949"	190.132308	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+IsoProp+Na+H"	84.054008
"996684"	95.072976	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+2ACN+2H"	84.067652
"1589000"	191.046928	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+K+HCOOH"	84.968628
"1415267"	221.078438	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+H+CF3COOH"	115.000138
"1160270"	115.586251	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+3ACN+2H"	125.094202
"1711643"	238.104985	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+NH4+CF3COOH"	132.026685
"1647653"	243.06038	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+Na+CF3COOH"	136.98208
"1585490"	259.03432	"C07111"	"Ethylbenzene;Phenylethane;Ethylbenzol;Ethylenzene"	"C8H10"	"106.0783"	"M+K+CF3COOH"	152.95602
"802734"	122.0732	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M"	0
"980640"	103.05481	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"68883"	80.3748573333333	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"508444"	121.065924	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"889526"	39.6837906666667	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"1539"	121.065924	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"443288"	182.102524	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"826556"	60.029324	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"81080"	243.139124	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"518546"	365.212324	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"895716"	121.065924	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"47340"	260.165671	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"490190"	382.238871	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"865198"	138.092471	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"31452"	265.121066	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"471427"	387.194266	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"849980"	143.047866	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1618450"	143.047866	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"103696"	139.054263	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"547271"	200.090863	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"940422"	78.017663	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"282017"	279.115802	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"674679"	401.189002	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1281254"	157.042602	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"24537"	281.095006	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"467378"	403.168206	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"838984"	159.021806	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1565752"	159.021806	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"953635"	167.071394	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"370759"	289.144601	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"350269"	303.160251	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1503476"	181.087051	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"963365"	189.053351	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"122111"	157.042602	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"561308"	218.079202	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1028285"	96.006002	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1247866"	200.992085	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1310313"	203.048072	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1323433"	225.030029	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"914491"	235.058786	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1298860"	271.035464	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1377022"	87.060524	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1387957"	105.0705	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"285818"	245.153676	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"683343"	367.226876	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1353131"	123.080476	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"126749"	123.080476	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"574335"	184.117076	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1039126"	62.043876	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"216507"	82.3894093333333	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"657162"	123.080476	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1174192"	41.6983426666667	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"433089"	262.180223	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"792990"	384.253423	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1692603"	140.107023	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"334322"	131.5937495	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"732210"	192.6303495	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1477189"	70.5571495	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"393158"	267.135618	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"758047"	389.208818	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1604199"	145.062418	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"315087"	134.071447	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"707545"	195.108047	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1461686"	73.034847	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1053516"	49.0256566666667	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1257384"	155.106686	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"377818"	283.109558	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"739100"	405.182758	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1542611"	161.036358	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"298936"	142.058417	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"691963"	203.095017	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1445613"	81.021817	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"238285"	286.180226	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1210995"	164.107026	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1195606"	82.557151	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"189570"	289.11756	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"628811"	411.19076	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1133617"	167.04436	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"172877"	145.062418	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"612943"	206.099018	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1115679"	84.025818	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1398909"	56.3529706666667	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1430416"	169.085946	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"220041"	150.09544	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1512040"	183.13799	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"411726"	153.049388	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"771993"	214.085988	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1666048"	92.012788	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"253750"	308.162168	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1229377"	186.088968	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1714983"	186.112493	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1178833"	63.6802846666667	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1650595"	191.067888	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"162563"	321.06544	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"604314"	443.13864	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1095386"	198.99224	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"148923"	161.036358	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"590669"	222.072958	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1076276"	99.999758	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1110577"	201.006792	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1343681"	201.094407	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1010028"	205.133576	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1524508"	206.127208	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"996794"	103.070426	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1592390"	207.041828	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1421331"	237.073338	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1161473"	123.583701	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1711753"	254.099885	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1647763"	259.05528	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1585600"	275.02922	"C07112"	"1-Phenylethanol;Methylphenyl carbinol;alpha-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"802844"	120.0575	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M"	0
"979657"	101.03911	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"70088"	79.0310573333333	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"512929"	119.050224	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"886356"	39.0118906666667	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"919"	119.050224	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"445586"	179.078974	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"823386"	59.021474	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"83377"	239.107724	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"522935"	359.165224	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"895953"	119.050224	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"49645"	256.134271	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"487261"	376.191771	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"874664"	136.076771	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"32845"	261.089666	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"471747"	381.147166	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"850090"	141.032166	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1618760"	141.032166	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"103806"	137.038563	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"548355"	197.067313	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"939439"	77.009813	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"280671"	275.084402	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"674672"	395.141902	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1285736"	155.026902	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"26106"	277.063606	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"467853"	397.121106	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"844561"	157.006106	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1565861"	157.006106	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"952651"	165.055694	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"370869"	285.113201	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"353659"	299.128851	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1505775"	179.071351	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"968942"	187.037651	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"117846"	155.026902	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"561418"	215.055652	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1028395"	94.998152	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1251256"	198.976385	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1314797"	201.032372	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1323909"	223.014329	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"915697"	233.043086	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1294595"	269.019764	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1373849"	85.044824	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1386242"	103.0548	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"285925"	241.122276	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"677985"	361.179776	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1354334"	121.064776	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H"	1.007276
"128318"	121.064776	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"574445"	181.093526	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1044341"	61.036026	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"213336"	81.0456093333333	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"653990"	121.064776	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1171021"	41.0264426666667	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"435384"	258.148823	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"794192"	378.206323	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1692712"	138.091323	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"339899"	129.5780495	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"730133"	189.6067995	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1482856"	69.5492995	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"398256"	263.104218	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"765811"	383.161718	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1611721"	143.046718	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"321759"	132.055747	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"708955"	192.084497	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1463626"	72.026997	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1054684"	48.3537566666667	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1258913"	153.090986	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"377732"	279.078158	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"740306"	399.135658	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1541996"	159.020658	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+K"	38.963158
"299172"	140.042717	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"693783"	200.071467	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1446266"	80.013967	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"237304"	282.148826	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1215844"	162.091326	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1196447"	81.549301	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"190414"	285.08616	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"629001"	405.14366	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1136765"	165.02866	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"173124"	143.046718	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"612837"	203.075468	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1115636"	83.017968	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1398857"	55.6810706666667	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1430285"	167.070246	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"220004"	148.07974	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1509963"	181.12229	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"414024"	151.033688	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"770767"	211.062438	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1665593"	91.004938	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"253132"	304.130768	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1227664"	184.073268	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1715093"	184.096793	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1178588"	63.0083846666667	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1650499"	189.052188	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"162673"	317.03404	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"607708"	437.09154	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1091123"	196.97654	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"146846"	159.020658	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"587499"	219.049408	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1077479"	98.991908	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1110687"	198.991092	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1344885"	199.078707	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1012325"	203.117876	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1524288"	204.111508	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"995811"	102.062576	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1591407"	205.026128	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1414878"	235.057638	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1161584"	122.575851	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1712106"	252.084185	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1648970"	257.03958	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1585710"	273.01352	"C07113"	"Acetophenone;1-Phenylethanone;Phenyl methyl ketone;Acetylbenzene;Methyl phenyl ketone"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"802954"	164.0473	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M"	0
"980860"	145.02891	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"64242"	108.357590666667	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"502908"	163.040024	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"880075"	53.6751573333333	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"781"	163.040024	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"440222"	245.063674	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"817411"	81.016374	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"78618"	327.087324	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"521098"	491.134624	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"897195"	163.040024	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"47930"	344.113871	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"488340"	508.161171	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"865167"	180.066571	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"32459"	349.069266	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"471944"	513.116566	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"850199"	185.021966	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1619114"	185.021966	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"103916"	181.028363	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"547491"	263.052013	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"938453"	99.004713	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"278466"	363.064002	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"674170"	527.111302	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1284752"	199.016702	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"26217"	365.043206	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"465776"	529.090506	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"839204"	200.995906	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1564879"	200.995906	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"949481"	209.045494	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"371344"	373.092801	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"351581"	387.108451	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1504426"	223.061151	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"969052"	231.027451	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"119049"	199.016702	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"560434"	281.040352	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1031422"	116.993052	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1254646"	242.966185	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1314907"	245.022172	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1329120"	267.004129	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"917992"	277.032886	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1295799"	313.009564	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1376146"	129.034624	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1387083"	147.0446	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"289317"	329.101876	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"678459"	493.149176	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1357723"	165.054576	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"130977"	165.054576	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"574555"	247.078226	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1041171"	83.030926	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"211259"	110.372142666667	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"654099"	165.054576	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1168215"	55.6897093333333	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"432214"	346.128423	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"791023"	510.175723	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1690635"	182.081123	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"340009"	173.5678495	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"726964"	255.5914995	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1478594"	91.5441995	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"397273"	351.083818	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"758268"	515.131118	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1611831"	187.036518	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"321869"	176.045547	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"709918"	258.069197	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1464102"	94.021897	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1055158"	63.0170233333333	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1260846"	197.080786	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"379788"	367.057758	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"741147"	531.105058	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1542107"	203.010458	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"303294"	184.032517	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"696445"	266.056167	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1446013"	102.008867	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"239964"	370.128426	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1214861"	206.081126	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1198013"	103.544201	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"191617"	373.06576	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"628705"	537.11306	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1132255"	209.01846	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"173472"	187.036518	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"613157"	269.060168	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1115933"	105.012868	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1399210"	70.3443373333333	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1430596"	211.060046	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"220788"	192.06954	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1511532"	225.11209	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"414134"	195.023488	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"769946"	277.047138	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1665620"	112.999838	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"251536"	392.110368	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1227410"	228.063068	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1714110"	228.086593	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1178481"	77.6716513333333	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1650816"	233.041988	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"162783"	405.01364	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"604534"	569.06094	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1094514"	240.96634	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"146956"	203.010458	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"587609"	285.034108	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1075402"	120.986808	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1107517"	242.980892	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1340620"	243.068507	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1013528"	247.107676	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1524441"	248.101308	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"997014"	124.057476	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1589330"	249.015928	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1415353"	279.047438	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1161693"	144.570751	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1711608"	296.073985	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1647620"	301.02938	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1585820"	317.00332	"C07114"	"3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"803064"	155.0269	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M"	0
"974894"	136.00851	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-H2O-H"	-19.01839
"65933"	102.343990666667	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M-3H"	-3.021828
"505493"	154.019624	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M-3H"	-3.021828
"880497"	50.6683573333333	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-3H"	-3.021828
"2593"	154.019624	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M-2H"	-2.014552
"440816"	231.533074	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M-2H"	-2.014552
"818131"	76.506174	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-2H"	-2.014552
"79827"	309.046524	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M-H"	-1.007276
"524245"	464.073424	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M-H"	-1.007276
"896456"	154.019624	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-H"	-1.007276
"52050"	326.073071	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M-2H+NH4"	16.019271
"492704"	481.099971	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M-2H+NH4"	16.019271
"865523"	171.046171	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-2H+NH4"	16.019271
"32091"	331.028466	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M-2H+Na"	20.974666
"472867"	486.055366	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M-2H+Na"	20.974666
"849698"	176.001566	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-2H+Na"	20.974666
"1620934"	176.001566	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Na-2H"	20.974666
"101839"	172.007963	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M-H+Cl"	33.962126
"549667"	249.521413	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M-H+Cl"	33.962126
"941845"	94.494513	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-H+Cl"	33.962126
"278577"	345.023202	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+Cl"	34.969402
"673916"	500.050102	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+Cl"	34.969402
"1282311"	189.996302	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Cl"	34.969402
"28514"	347.002406	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M-2H+K"	36.948606
"468802"	502.029306	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M-2H+K"	36.948606
"842594"	191.975506	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-2H+K"	36.948606
"1565718"	191.975506	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+K-2H"	36.948606
"952507"	200.025094	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-H+HCOOH"	44.998194
"367807"	355.052001	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+HCOOH-H"	44.998201
"350597"	369.067651	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+Hac-H"	59.013851
"1503442"	214.040751	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Hac-H"	59.013851
"971349"	222.007051	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-H+NaCOOH"	66.980151
"121713"	189.996302	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+2Cl"	69.938804
"560908"	267.509752	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+2Cl"	69.938804
"1029709"	112.482852	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2Cl"	69.938804
"1252568"	233.945785	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Br"	78.918885
"1315017"	236.001772	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Cl+HCOOH"	80.974872
"1324860"	257.983729	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Cl+NaCOOH"	102.956829
"918467"	268.012486	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M-H+CF3COOH"	112.985586
"1294817"	303.989164	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Cl+CF3COOH"	148.962264
"1374070"	120.014224	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H-2H2O"	-35.012676
"1384640"	138.0242	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H-H2O"	-17.0027
"287971"	311.061076	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+H"	1.007276
"684765"	466.087976	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+H"	1.007276
"1356375"	156.034176	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H"	1.007276
"131086"	156.034176	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+2H"	2.014552
"573573"	233.547626	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+2H"	2.014552
"1041280"	78.520726	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2H"	2.014552
"206992"	104.358542666667	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+3H"	3.021828
"646187"	156.034176	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+3H"	3.021828
"1165773"	52.6829093333333	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+3H"	3.021828
"429044"	328.087623	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+NH4"	18.033823
"798062"	483.114523	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+NH4"	18.033823
"1690749"	173.060723	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+NH4"	18.033823
"333558"	164.5474495	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+H+NH4"	19.041099
"727073"	242.0608995	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+H+NH4"	19.041099
"1482349"	87.0339995	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H+NH4"	19.041099
"401757"	333.043018	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+Na"	22.989218
"768218"	488.069918	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+Na"	22.989218
"1615223"	178.016118	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Na"	22.989218
"329027"	167.025147	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+H+Na"	23.996494
"713307"	244.538597	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+H+Na"	23.996494
"1467127"	89.511697	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H+Na"	23.996494
"1057093"	60.0102233333333	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2H+Na"	25.00377
"1260958"	188.060386	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+CH3OH+H"	33.033486
"380628"	349.016958	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+K"	38.963158
"741259"	504.043858	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+K"	38.963158
"1542947"	193.990058	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+K"	38.963158
"304134"	175.012117	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+H+K"	39.970434
"697649"	252.525567	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+H+K"	39.970434
"1447461"	97.498667	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H+K"	39.970434
"242261"	352.087626	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+ACN+H"	42.033826
"1216064"	197.060726	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+ACN+H"	42.033826
"1197759"	99.034001	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+ACN+2H"	43.041102
"191727"	355.02496	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+2Na-H"	44.97116
"629342"	510.05186	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+2Na-H"	44.97116
"1136985"	199.99806	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2Na-H"	44.97116
"175173"	178.016118	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+2Na"	45.978436
"614732"	255.529568	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+2Na"	45.978436
"1116289"	100.502668	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2Na"	45.978436
"1399812"	67.3375373333333	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H+2Na"	46.985712
"1431445"	202.039646	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H+HCOOH"	47.012746
"221019"	183.04914	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+3H2O+2H"	56.04448
"1515652"	216.09169	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+IsoProp+H"	61.06479
"413151"	186.003088	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+Na+K"	61.952376
"770986"	263.516538	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+Na+K"	61.952376
"1667439"	108.489638	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Na+K"	61.952376
"253109"	374.069568	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+ACN+Na"	64.015768
"1227520"	219.042668	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+ACN+Na"	64.015768
"1717500"	219.066193	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+NH4+HCOOH"	64.039293
"1181756"	74.6648513333333	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+3Na"	68.967654
"1650319"	224.021588	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Na+HCOOH"	68.994688
"162893"	386.97284	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+2K-H"	76.91904
"602822"	541.99974	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+2K-H"	76.91904
"1089156"	231.94594	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2K-H"	76.91904
"144877"	193.990058	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"2M+2K"	77.926316
"583708"	271.503508	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"3M+2K"	77.926316
"1072232"	116.476608	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2K"	77.926316
"1106531"	233.960492	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2K+H"	78.933592
"1341821"	234.048107	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+DMSO+H"	79.021207
"1008169"	238.087276	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2ACN+H"	83.060376
"1524589"	239.080908	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+IsoProp+Na+H"	84.054008
"991050"	119.547276	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+2ACN+2H"	84.067652
"1587616"	239.995528	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+K+HCOOH"	84.968628
"1414260"	270.027038	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+H+CF3COOH"	115.000138
"1161319"	140.060551	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+3ACN+2H"	125.094202
"1709167"	287.053585	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+NH4+CF3COOH"	132.026685
"1648094"	292.00898	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+Na+CF3COOH"	136.98208
"1585930"	307.98292	"C07115"	"Nitrogen mustard;Mechlorethamine;Chlormethine"	"C5H11Cl2N"	"155.0269"	"M+K+CF3COOH"	152.95602
"804267"	390.1863	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M"	0
"974796"	371.16791	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-H2O-H"	-19.01839
"66043"	259.116924	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M-3H"	-3.021828
"503779"	389.179024	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M-3H"	-3.021828
"881944"	129.054824	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-3H"	-3.021828
"3430"	389.179024	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M-2H"	-2.014552
"440930"	584.272174	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M-2H"	-2.014552
"818245"	194.085874	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-2H"	-2.014552
"80056"	779.365324	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M-H"	-1.007276
"522897"	1169.551624	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M-H"	-1.007276
"897786"	389.179024	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-H"	-1.007276
"51066"	796.391871	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M-2H+NH4"	16.019271
"490260"	1186.578171	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M-2H+NH4"	16.019271
"866243"	406.205571	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-2H+NH4"	16.019271
"34143"	801.347266	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M-2H+Na"	20.974666
"473828"	1191.533566	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M-2H+Na"	20.974666
"849931"	411.160966	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-2H+Na"	20.974666
"1622138"	411.160966	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Na-2H"	20.974666
"99763"	407.167363	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M-H+Cl"	33.962126
"549538"	602.260513	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M-H+Cl"	33.962126
"940496"	212.074213	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-H+Cl"	33.962126
"275770"	815.342002	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+Cl"	34.969402
"670744"	1205.528302	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+Cl"	34.969402
"1279504"	425.155702	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Cl"	34.969402
"28624"	817.321206	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M-2H+K"	36.948606
"468912"	1207.507506	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M-2H+K"	36.948606
"839423"	427.134906	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-2H+K"	36.948606
"1566192"	427.134906	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+K-2H"	36.948606
"954804"	435.184494	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-H+HCOOH"	44.998194
"369012"	825.370801	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+HCOOH-H"	44.998201
"351802"	839.386451	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+Hac-H"	59.013851
"1506102"	449.200151	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Hac-H"	59.013851
"968179"	457.166451	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-H+NaCOOH"	66.980151
"121094"	425.155702	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+2Cl"	69.938804
"561384"	620.248852	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+2Cl"	69.938804
"1033464"	230.062552	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2Cl"	69.938804
"1251585"	469.105185	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Br"	78.918885
"1311847"	471.161172	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Cl+HCOOH"	80.974872
"1327156"	493.143129	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Cl+NaCOOH"	102.956829
"917120"	503.171886	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M-H+CF3COOH"	112.985586
"1294927"	539.148564	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Cl+CF3COOH"	148.962264
"1374180"	355.173624	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H-2H2O"	-35.012676
"1386209"	373.1836	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H-H2O"	-17.0027
"290268"	781.379876	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+H"	1.007276
"682689"	1171.566176	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+H"	1.007276
"1359038"	391.193576	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H"	1.007276
"133021"	391.193576	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+2H"	2.014552
"573682"	586.286726	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+2H"	2.014552
"1041754"	196.100426	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2H"	2.014552
"207103"	261.131476	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+3H"	3.021828
"645689"	391.193576	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+3H"	3.021828
"1163695"	131.069376	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+3H"	3.021828
"429152"	798.406423	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+NH4"	18.033823
"787963"	1188.592723	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+NH4"	18.033823
"1689762"	408.220123	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+NH4"	18.033823
"333665"	399.7068495	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+H+NH4"	19.041099
"731554"	594.7999995	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+H+NH4"	19.041099
"1482459"	204.6136995	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H+NH4"	19.041099
"398588"	803.361818	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+Na"	22.989218
"758855"	1193.548118	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+Na"	22.989218
"1610958"	413.175518	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Na"	22.989218
"320995"	402.184547	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+H+Na"	23.996494
"709043"	597.277697	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+H+Na"	23.996494
"1463594"	207.091397	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H+Na"	23.996494
"1053680"	138.39669	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2H+Na"	25.00377
"1259610"	423.219786	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+CH3OH+H"	33.033486
"378916"	819.335758	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+K"	38.963158
"740640"	1209.522058	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+K"	38.963158
"1542329"	429.149458	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+K"	38.963158
"302058"	410.171517	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+H+K"	39.970434
"696666"	605.264667	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+H+K"	39.970434
"1446478"	215.078367	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H+K"	39.970434
"240186"	822.406426	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+ACN+H"	42.033826
"1215080"	432.220126	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+ACN+H"	42.033826
"1196776"	216.613701	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+ACN+2H"	43.041102
"189771"	825.34376	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+2Na-H"	44.97116
"633587"	1215.53006	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+2Na-H"	44.97116
"1137095"	435.15746	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2Na-H"	44.97116
"176011"	413.175518	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+2Na"	45.978436
"614842"	608.268668	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+2Na"	45.978436
"1116156"	218.082368	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2Na"	45.978436
"1398948"	145.724004	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H+2Na"	46.985712
"1431435"	437.199046	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H+HCOOH"	47.012746
"221009"	418.20854	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+3H2O+2H"	56.04448
"1513575"	451.25109	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+IsoProp+H"	61.06479
"413261"	421.162488	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+Na+K"	61.952376
"771461"	616.255638	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+Na+K"	61.952376
"1667792"	226.069338	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Na+K"	61.952376
"253948"	844.388368	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+ACN+Na"	64.015768
"1227630"	454.202068	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+ACN+Na"	64.015768
"1717610"	454.225593	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+NH4+HCOOH"	64.039293
"1180045"	153.051318	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+3Na"	68.967654
"1652856"	459.180988	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Na+HCOOH"	68.994688
"160816"	857.29164	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+2K-H"	76.91904
"604754"	1247.47794	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+2K-H"	76.91904
"1089266"	467.10534	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2K-H"	76.91904
"146077"	429.149458	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"2M+2K"	77.926316
"584547"	624.242608	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"3M+2K"	77.926316
"1072341"	234.056308	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2K"	77.926316
"1104455"	469.119892	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2K+H"	78.933592
"1340837"	469.207507	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+DMSO+H"	79.021207
"1008279"	473.246676	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2ACN+H"	83.060376
"1525555"	474.240308	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+IsoProp+Na+H"	84.054008
"990917"	237.126976	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+2ACN+2H"	84.067652
"1587847"	475.154928	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+K+HCOOH"	84.968628
"1415329"	505.186438	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+H+CF3COOH"	115.000138
"1153155"	257.640251	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+3ACN+2H"	125.094202
"1711099"	522.212985	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+NH4+CF3COOH"	132.026685
"1648204"	527.16838	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+Na+CF3COOH"	136.98208
"1586040"	543.14232	"C07116"	"Meclizine;Meclozine"	"C25H27ClN2"	"390.1863"	"M+K+CF3COOH"	152.95602
"803648"	295.0167	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M"	0
"975355"	275.99831	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-H2O-H"	-19.01839
"64330"	195.670524	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M-3H"	-3.021828
"506076"	294.009424	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M-3H"	-3.021828
"882419"	97.331624	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-3H"	-3.021828
"5363"	294.009424	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M-2H"	-2.014552
"441648"	441.517774	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M-2H"	-2.014552
"819082"	146.501074	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-2H"	-2.014552
"82353"	589.026124	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M-H"	-1.007276
"521913"	884.042824	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M-H"	-1.007276
"898989"	294.009424	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-H"	-1.007276
"49354"	606.052671	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M-2H+NH4"	16.019271
"490736"	901.069371	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M-2H+NH4"	16.019271
"865623"	311.035971	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-2H+NH4"	16.019271
"33524"	611.008066	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M-2H+Na"	20.974666
"474910"	906.024766	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M-2H+Na"	20.974666
"849435"	315.991366	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-2H+Na"	20.974666
"1623341"	315.991366	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Na-2H"	20.974666
"99873"	311.997763	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M-H+Cl"	33.962126
"548914"	459.506113	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M-H+Cl"	33.962126
"940242"	164.489413	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-H+Cl"	33.962126
"274786"	625.002802	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+Cl"	34.969402
"669761"	920.019502	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+Cl"	34.969402
"1282164"	329.986102	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Cl"	34.969402
"29096"	626.982006	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M-2H+K"	36.948606
"466104"	921.998706	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M-2H+K"	36.948606
"843904"	331.965306	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-2H+K"	36.948606
"1564114"	331.965306	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+K-2H"	36.948606
"948717"	340.014894	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-H+HCOOH"	44.998194
"366932"	635.031601	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+HCOOH-H"	44.998201
"348631"	649.047251	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+Hac-H"	59.013851
"1505118"	354.030551	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Hac-H"	59.013851
"968289"	361.996851	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-H+NaCOOH"	66.980151
"120475"	329.986102	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+2Cl"	69.938804
"558940"	477.494452	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+2Cl"	69.938804
"1028834"	182.477752	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2Cl"	69.938804
"1251695"	373.935585	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Br"	78.918885
"1317424"	375.991572	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Cl+HCOOH"	80.974872
"1323986"	397.973529	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Cl+NaCOOH"	102.956829
"915042"	408.002286	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M-H+CF3COOH"	112.985586
"1295037"	443.978964	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Cl+CF3COOH"	148.962264
"1374290"	260.004024	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H-2H2O"	-35.012676
"1383403"	278.014	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H-H2O"	-17.0027
"289285"	591.040676	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+H"	1.007276
"682799"	886.057376	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+H"	1.007276
"1363887"	296.023976	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H"	1.007276
"133131"	296.023976	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+2H"	2.014552
"572699"	443.532326	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+2H"	2.014552
"1042958"	148.515626	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2H"	2.014552
"207577"	197.685076	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+3H"	3.021828
"647866"	296.023976	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+3H"	3.021828
"1164169"	99.346176	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+3H"	3.021828
"432542"	608.067223	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+NH4"	18.033823
"789166"	903.083923	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+NH4"	18.033823
"1690965"	313.050523	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+NH4"	18.033823
"334869"	304.5372495	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+H+NH4"	19.041099
"731664"	452.0455995	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+H+NH4"	19.041099
"1482205"	157.0288995	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H+NH4"	19.041099
"398698"	613.022618	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+Na"	22.989218
"757141"	908.039318	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+Na"	22.989218
"1612161"	318.005918	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Na"	22.989218
"322198"	307.014947	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+H+Na"	23.996494
"708181"	454.523297	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+H+Na"	23.996494
"1463704"	159.506597	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H+Na"	23.996494
"1054034"	106.67349	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2H+Na"	25.00377
"1259356"	328.050186	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+CH3OH+H"	33.033486
"377364"	628.996558	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+K"	38.963158
"738927"	924.013258	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+K"	38.963158
"1541710"	333.979858	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+K"	38.963158
"300101"	315.001917	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+H+K"	39.970434
"694589"	462.510267	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+H+K"	39.970434
"1446583"	167.493567	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H+K"	39.970434
"237012"	632.067226	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+ACN+H"	42.033826
"1211909"	337.050526	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+ACN+H"	42.033826
"1195794"	169.028901	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+ACN+2H"	43.041102
"191945"	635.00456	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+2Na-H"	44.97116
"628997"	930.02126	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+2Na-H"	44.97116
"1136475"	339.98786	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2Na-H"	44.97116
"175028"	318.005918	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+2Na"	45.978436
"614587"	465.514268	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+2Na"	45.978436
"1116066"	170.497568	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2Na"	45.978436
"1399061"	114.000804	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H+2Na"	46.985712
"1430044"	342.029446	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H+HCOOH"	47.012746
"221970"	323.03894	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+3H2O+2H"	56.04448
"1519152"	356.08149	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+IsoProp+H"	61.06479
"416651"	325.992888	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+Na+K"	61.952376
"773271"	473.501238	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+Na+K"	61.952376
"1668510"	178.484538	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Na+K"	61.952376
"254665"	654.049168	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+ACN+Na"	64.015768
"1228104"	359.032468	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+ACN+Na"	64.015768
"1718813"	359.055993	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+NH4+HCOOH"	64.039293
"1179789"	121.328118	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+3Na"	68.967654
"1651994"	364.011388	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Na+HCOOH"	68.994688
"160193"	666.95244	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+2K-H"	76.91904
"603765"	961.96914	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+2K-H"	76.91904
"1090469"	371.93574	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2K-H"	76.91904
"148373"	333.979858	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"2M+2K"	77.926316
"586842"	481.488208	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"3M+2K"	77.926316
"1071722"	186.471508	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2K"	77.926316
"1107844"	373.950292	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2K+H"	78.933592
"1343134"	374.037907	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+DMSO+H"	79.021207
"1007416"	378.077076	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2ACN+H"	83.060376
"1524935"	379.070708	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+IsoProp+Na+H"	84.054008
"992971"	189.542176	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+2ACN+2H"	84.067652
"1587590"	379.985328	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+K+HCOOH"	84.968628
"1414222"	410.016838	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+H+CF3COOH"	115.000138
"1147794"	210.055451	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+3ACN+2H"	125.094202
"1711939"	427.043385	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+NH4+CF3COOH"	132.026685
"1647951"	431.99878	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+Na+CF3COOH"	136.98208
"1586150"	447.97272	"C07117"	"Meclofenamate;Meclofenamic acid"	"C14H11Cl2NO2"	"295.0167"	"M+K+CF3COOH"	152.95602
"803394"	913.152	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M"	0
"975831"	894.13361	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-H2O-H"	-19.01839
"66263"	607.760724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M-3H"	-3.021828
"504729"	912.144724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M-3H"	-3.021828
"883623"	303.376724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-3H"	-3.021828
"493"	912.144724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M-2H"	-2.014552
"439980"	1368.720724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M-2H"	-2.014552
"817733"	455.568724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-2H"	-2.014552
"80277"	1825.296724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M-H"	-1.007276
"521659"	2738.448724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M-H"	-1.007276
"898007"	912.144724	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-H"	-1.007276
"50192"	1842.323271	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M-2H+NH4"	16.019271
"487276"	2755.475271	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M-2H+NH4"	16.019271
"865492"	929.171271	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-2H+NH4"	16.019271
"33270"	1847.278666	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M-2H+Na"	20.974666
"472103"	2760.430666	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M-2H+Na"	20.974666
"849905"	934.126666	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-2H+Na"	20.974666
"1619442"	934.126666	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Na-2H"	20.974666
"101075"	930.133063	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M-H+Cl"	33.962126
"548905"	1386.709063	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M-H+Cl"	33.962126
"940352"	473.557063	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-H+Cl"	33.962126
"275990"	1861.273402	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+Cl"	34.969402
"672058"	2774.425402	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+Cl"	34.969402
"1283730"	948.121402	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Cl"	34.969402
"29936"	1863.252606	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M-2H+K"	36.948606
"462933"	2776.404606	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M-2H+K"	36.948606
"844014"	950.100606	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-2H+K"	36.948606
"1562037"	950.100606	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+K-2H"	36.948606
"951013"	958.150194	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-H+HCOOH"	44.998194
"374333"	1871.302201	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+HCOOH-H"	44.998201
"354204"	1885.317851	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+Hac-H"	59.013851
"1501942"	972.165851	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Hac-H"	59.013851
"969492"	980.132151	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-H+NaCOOH"	66.980151
"120220"	948.121402	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+2Cl"	69.938804
"556864"	1404.697402	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+2Cl"	69.938804
"1026757"	491.545402	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2Cl"	69.938804
"1248525"	992.070885	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Br"	78.918885
"1313158"	994.126872	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Cl+HCOOH"	80.974872
"1323003"	1016.108829	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Cl+NaCOOH"	102.956829
"916974"	1026.137586	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M-H+CF3COOH"	112.985586
"1295147"	1062.114264	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Cl+CF3COOH"	148.962264
"1371483"	878.139324	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H-2H2O"	-35.012676
"1384970"	896.1493	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H-H2O"	-17.0027
"289395"	1827.311276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+H"	1.007276
"686189"	2740.463276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+H"	1.007276
"1361445"	914.159276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H"	1.007276
"134334"	914.159276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+2H"	2.014552
"571715"	1370.735276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+2H"	2.014552
"1040517"	457.583276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2H"	2.014552
"205499"	609.775276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+3H"	3.021828
"647976"	914.159276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+3H"	3.021828
"1164279"	305.391276	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+3H"	3.021828
"432652"	1844.337823	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+NH4"	18.033823
"788183"	2757.489823	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+NH4"	18.033823
"1687795"	931.185823	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+NH4"	18.033823
"334979"	922.6725495	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+H+NH4"	19.041099
"733961"	1379.2485495	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+H+NH4"	19.041099
"1482315"	466.0965495	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H+NH4"	19.041099
"402087"	1849.293218	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+Na"	22.989218
"755428"	2762.445218	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+Na"	22.989218
"1613364"	936.141218	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Na"	22.989218
"322308"	925.150247	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+H+Na"	23.996494
"709264"	1381.726247	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+H+Na"	23.996494
"1466365"	468.574247	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H+Na"	23.996494
"1054143"	312.71859	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2H+Na"	25.00377
"1259102"	946.185486	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+CH3OH+H"	33.033486
"379500"	1865.267158	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+K"	38.963158
"739037"	2778.419158	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+K"	38.963158
"1542915"	952.115158	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+K"	38.963158
"303371"	933.137217	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+H+K"	39.970434
"695793"	1389.713217	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+H+K"	39.970434
"1446818"	476.561217	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H+K"	39.970434
"238215"	1868.337826	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+ACN+H"	42.033826
"1215299"	955.185826	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+ACN+H"	42.033826
"1196998"	478.096551	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+ACN+2H"	43.041102
"193148"	1871.27516	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+2Na-H"	44.97116
"628862"	2784.42716	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+2Na-H"	44.97116
"1136585"	958.12316	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2Na-H"	44.97116
"175137"	936.141218	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+2Na"	45.978436
"614697"	1392.717218	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+2Na"	45.978436
"1117838"	479.565218	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2Na"	45.978436
"1400021"	320.045904	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H+2Na"	46.985712
"1432383"	960.164746	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H+HCOOH"	47.012746
"222081"	941.17424	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+3H2O+2H"	56.04448
"1510505"	974.21679	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+IsoProp+H"	61.06479
"416761"	944.128188	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+Na+K"	61.952376
"774475"	1400.704188	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+Na+K"	61.952376
"1668619"	487.552188	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Na+K"	61.952376
"252954"	1890.319768	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+ACN+Na"	64.015768
"1227850"	977.167768	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+ACN+Na"	64.015768
"1716737"	977.191293	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+NH4+HCOOH"	64.039293
"1185373"	327.373218	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+3Na"	68.967654
"1651255"	982.146688	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Na+HCOOH"	68.994688
"159210"	1903.22304	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+2K-H"	76.91904
"599865"	2816.37504	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+2K-H"	76.91904
"1087663"	990.07104	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2K-H"	76.91904
"145204"	952.115158	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"2M+2K"	77.926316
"585859"	1408.691158	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"3M+2K"	77.926316
"1070375"	495.539158	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2K"	77.926316
"1103582"	992.085592	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2K+H"	78.933592
"1341057"	992.173207	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+DMSO+H"	79.021207
"1008499"	996.212376	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2ACN+H"	83.060376
"1528813"	997.206008	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+IsoProp+Na+H"	84.054008
"993079"	498.609826	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+2ACN+2H"	84.067652
"1587946"	998.120628	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+K+HCOOH"	84.968628
"1416521"	1028.152138	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+H+CF3COOH"	115.000138
"1148999"	519.123101	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+3ACN+2H"	125.094202
"1712658"	1045.178685	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+NH4+CF3COOH"	132.026685
"1649154"	1050.13408	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+Na+CF3COOH"	136.98208
"1586260"	1066.10802	"C07118"	"Benzoyl acetyl-CoA;Benzoyl acetyl coenzyme A"	"C30H42N7O18P3S"	"913.152"	"M+K+CF3COOH"	152.95602
"806784"	344.2351	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M"	0
"979222"	325.21671	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"68559"	228.482790666667	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"510305"	343.227824	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"883733"	113.737757333333	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"3400"	343.227824	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"440777"	515.345374	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"818941"	171.110274	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"79902"	687.462924	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"520676"	1031.698024	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"898119"	343.227824	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"49454"	704.489471	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"487957"	1048.724571	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"864871"	360.254371	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"32529"	709.444866	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"479507"	1053.679966	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"855121"	365.209766	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1624656"	365.209766	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"109456"	361.216163	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"549503"	533.333713	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"941316"	189.098613	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"282676"	723.439602	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"674847"	1067.674702	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1286640"	379.204502	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"30538"	725.418806	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"464136"	1069.653906	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"845947"	381.183706	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1563241"	381.183706	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"954403"	389.233294	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"373712"	733.468401	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"359786"	747.484051	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1499867"	403.248951	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"966315"	411.215251	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"115227"	379.204502	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"559891"	551.322052	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1031971"	207.086952	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1251915"	423.153985	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1318740"	425.209972	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1327485"	447.191929	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"920730"	457.220686	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1295257"	493.197364	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1375603"	309.222424	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1386173"	327.2324	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"292785"	689.477476	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"686299"	1033.712576	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1361554"	345.242376	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"135537"	345.242376	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"577292"	517.359926	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1043906"	173.124826	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"207432"	230.497342666667	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"653553"	345.242376	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1167305"	115.752309333333	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"432762"	706.504023	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"794853"	1050.739123	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1693372"	362.268923	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"335089"	353.7556495	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"734072"	525.8731995	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1482425"	181.6380995	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"398918"	711.459418	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"757729"	1055.694518	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1614567"	367.224318	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"328615"	356.233347	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"710833"	528.350897	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1467568"	184.115797	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1056805"	123.079623333333	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1260306"	377.268586	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"379975"	727.433358	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"740971"	1071.668458	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1546305"	383.198258	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"301294"	364.220317	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"695903"	536.337867	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1446685"	192.102767	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"240512"	730.504026	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1212250"	386.268926	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1198200"	193.638101	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"192164"	733.44136	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"629536"	1077.67646	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1138517"	389.20626	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"178528"	367.224318	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"619182"	539.341868	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1122324"	195.106768	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1405117"	130.406937333333	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1432858"	391.247846	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"222191"	372.25734	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1509525"	405.29989	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"411400"	375.211288	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"775679"	547.328838	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1669821"	203.093738	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"253427"	752.485968	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1227229"	408.250868	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1714048"	408.274393	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1181108"	137.734251333333	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1655377"	413.229788	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"159320"	765.38924	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"601069"	1109.62434	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1087044"	421.15414	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"143857"	383.198258	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"588159"	555.315808	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1075953"	211.080708	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1102600"	423.168692	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1336675"	423.256307	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1010797"	427.295476	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1528925"	428.289108	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"990637"	214.151376	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1589880"	429.203728	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1418818"	459.235238	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1149109"	234.664651	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1711791"	476.261785	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1649265"	481.21718	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1586370"	497.19112	"C07119"	"Medroxyprogesterone"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"803614"	342.2195	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M"	0
"975444"	323.20111	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-H2O-H"	-19.01839
"64660"	227.139057333333	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M-3H"	-3.021828
"504949"	341.212224	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M-3H"	-3.021828
"882750"	113.065890666667	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-3H"	-3.021828
"1076"	341.212224	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M-2H"	-2.014552
"441251"	512.321974	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M-2H"	-2.014552
"819781"	170.102474	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-2H"	-2.014552
"83052"	683.431724	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M-H"	-1.007276
"519448"	1025.651224	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M-H"	-1.007276
"900416"	341.212224	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-H"	-1.007276
"49323"	700.458271	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M-2H+NH4"	16.019271
"487336"	1042.677771	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M-2H+NH4"	16.019271
"867778"	358.238771	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-2H+NH4"	16.019271
"35678"	705.413666	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M-2H+Na"	20.974666
"479617"	1047.633166	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M-2H+Na"	20.974666
"855231"	363.194166	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-2H+Na"	20.974666
"1623672"	363.194166	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Na-2H"	20.974666
"109649"	359.200563	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M-H+Cl"	33.962126
"549251"	530.310313	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M-H+Cl"	33.962126
"942034"	188.090813	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-H+Cl"	33.962126
"282176"	719.408402	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+Cl"	34.969402
"674835"	1061.627902	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+Cl"	34.969402
"1287604"	377.188902	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Cl"	34.969402
"30770"	721.387606	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M-2H+K"	36.948606
"466432"	1063.607106	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M-2H+K"	36.948606
"846421"	379.168106	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-2H+K"	36.948606
"1566631"	379.168106	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+K-2H"	36.948606
"956701"	387.217694	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-H+HCOOH"	44.998194
"374919"	729.437201	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+HCOOH-H"	44.998201
"359896"	743.452851	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+Hac-H"	59.013851
"1499979"	401.233351	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Hac-H"	59.013851
"966426"	409.199651	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-H+NaCOOH"	66.980151
"114244"	377.188902	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+2Cl"	69.938804
"559272"	548.298652	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+2Cl"	69.938804
"1031352"	206.079152	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2Cl"	69.938804
"1254212"	421.138385	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Br"	78.918885
"1318483"	423.194372	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Cl+HCOOH"	80.974872
"1328689"	445.176329	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Cl+NaCOOH"	102.956829
"921934"	455.205086	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M-H+CF3COOH"	112.985586
"1295367"	491.181764	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Cl+CF3COOH"	148.962264
"1375713"	307.206824	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H-2H2O"	-35.012676
"1386649"	325.2168	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H-H2O"	-17.0027
"296175"	685.446276	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+H"	1.007276
"687504"	1027.665776	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+H"	1.007276
"1363852"	343.226776	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H"	1.007276
"133464"	343.226776	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+2H"	2.014552
"571930"	514.336526	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+2H"	2.014552
"1038542"	172.117026	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2H"	2.014552
"207542"	229.153609333333	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+3H"	3.021828
"653663"	343.226776	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+3H"	3.021828
"1167415"	115.080442666667	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+3H"	3.021828
"426677"	702.472823	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+NH4"	18.033823
"792779"	1044.692323	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+NH4"	18.033823
"1687287"	360.253323	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+NH4"	18.033823
"335564"	351.7400495	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+H+NH4"	19.041099
"725435"	522.8497995	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+H+NH4"	19.041099
"1481807"	180.6302995	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H+NH4"	19.041099
"396841"	707.428218	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+Na"	22.989218
"757837"	1049.647718	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+Na"	22.989218
"1612491"	365.208718	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Na"	22.989218
"323622"	354.217747	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+H+Na"	23.996494
"712037"	525.327497	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+H+Na"	23.996494
"1465491"	183.107997	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H+Na"	23.996494
"1056184"	122.407756666667	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2H+Na"	25.00377
"1259321"	375.252986	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+CH3OH+H"	33.033486
"380449"	723.402158	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+K"	38.963158
"743269"	1065.621658	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+K"	38.963158
"1541312"	381.182658	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+K"	38.963158
"299582"	362.204717	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+H+K"	39.970434
"693097"	533.314467	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+H+K"	39.970434
"1445945"	191.094967	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H+K"	39.970434
"238436"	726.472826	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+ACN+H"	42.033826
"1212239"	384.253326	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+ACN+H"	42.033826
"1194786"	192.630301	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+ACN+2H"	43.041102
"188993"	729.41016	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+2Na-H"	44.97116
"628956"	1071.62966	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+2Na-H"	44.97116
"1136075"	387.19066	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2Na-H"	44.97116
"177908"	365.208718	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+2Na"	45.978436
"618562"	536.318468	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+2Na"	45.978436
"1119881"	194.098968	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2Na"	45.978436
"1403040"	129.735070666667	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H+2Na"	46.985712
"1431020"	389.232246	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H+HCOOH"	47.012746
"222665"	370.24174	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+3H2O+2H"	56.04448
"1508906"	403.28429	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+IsoProp+H"	61.06479
"411510"	373.195688	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+Na+K"	61.952376
"771776"	544.305438	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+Na+K"	61.952376
"1668837"	202.085938	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Na+K"	61.952376
"254630"	748.454768	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+ACN+Na"	64.015768
"1228068"	406.235268	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+ACN+Na"	64.015768
"1715132"	406.258793	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+NH4+HCOOH"	64.039293
"1185593"	137.062384666667	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+3Na"	68.967654
"1655851"	411.214188	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Na+HCOOH"	68.994688
"161617"	761.35804	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+2K-H"	76.91904
"601179"	1103.57754	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+2K-H"	76.91904
"1088246"	419.13854	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2K-H"	76.91904
"146154"	381.182658	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"2M+2K"	77.926316
"584989"	552.292408	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"3M+2K"	77.926316
"1076063"	210.072908	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2K"	77.926316
"1105990"	421.153092	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2K+H"	78.933592
"1339096"	421.240707	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+DMSO+H"	79.021207
"1014187"	425.279876	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2ACN+H"	83.060376
"1534500"	426.273508	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+IsoProp+Na+H"	84.054008
"992205"	213.143576	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+2ACN+2H"	84.067652
"1589990"	427.188128	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+K+HCOOH"	84.968628
"1418928"	457.219638	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+H+CF3COOH"	115.000138
"1149219"	233.656851	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+3ACN+2H"	125.094202
"1700961"	474.246185	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+NH4+CF3COOH"	132.026685
"1649374"	479.20158	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+Na+CF3COOH"	136.98208
"1586480"	495.17552	"C07120"	"Megestrol"	"C22H30O3"	"342.2195"	"M+K+CF3COOH"	152.95602
"813565"	304.0745	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M"	0
"982723"	285.05611	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H2O-H"	-19.01839
"70968"	201.709057333333	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-3H"	-3.021828
"510528"	303.067224	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-3H"	-3.021828
"887234"	100.350890666667	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-3H"	-3.021828
"10184"	303.067224	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H"	-2.014552
"447558"	455.104474	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H"	-2.014552
"824268"	151.029974	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H"	-2.014552
"85352"	607.141724	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-H"	-1.007276
"523818"	911.216224	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-H"	-1.007276
"902714"	303.067224	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H"	-1.007276
"53809"	624.168271	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+NH4"	16.019271
"491181"	928.242771	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+NH4"	16.019271
"868983"	320.093771	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+NH4"	16.019271
"40165"	629.123666	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+Na"	20.974666
"477539"	933.198166	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+Na"	20.974666
"852061"	325.049166	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+Na"	20.974666
"1624878"	325.049166	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na-2H"	20.974666
"109843"	321.055563	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-H+Cl"	33.962126
"549767"	473.092813	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-H+Cl"	33.962126
"942472"	169.018313	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+Cl"	33.962126
"282693"	643.118402	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Cl"	34.969402
"675268"	947.192902	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+Cl"	34.969402
"1285521"	339.043902	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl"	34.969402
"29174"	645.097606	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+K"	36.948606
"466548"	949.172106	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+K"	36.948606
"838883"	341.023106	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+K"	36.948606
"1564558"	341.023106	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K-2H"	36.948606
"958236"	349.072694	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+HCOOH"	44.998194
"376127"	653.147201	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+HCOOH-H"	44.998201
"361321"	667.162851	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Hac-H"	59.013851
"1505925"	363.088351	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Hac-H"	59.013851
"973102"	371.054651	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+NaCOOH"	66.980151
"122009"	339.043902	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Cl"	69.938804
"558289"	491.081152	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Cl"	69.938804
"1035108"	187.006652	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2Cl"	69.938804
"1255053"	382.993385	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Br"	78.918885
"1319689"	385.049372	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+HCOOH"	80.974872
"1326614"	407.031329	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+NaCOOH"	102.956829
"918766"	417.060086	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+CF3COOH"	112.985586
"1298757"	453.036764	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+CF3COOH"	148.962264
"1371453"	269.061824	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H-2H2O"	-35.012676
"1387856"	287.0718	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H-H2O"	-17.0027
"288636"	609.156276	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H"	1.007276
"678870"	913.230776	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H"	1.007276
"1359592"	305.081776	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H"	1.007276
"126649"	305.081776	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2H"	2.014552
"579336"	457.119026	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2H"	2.014552
"1047404"	153.044526	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2H"	2.014552
"208746"	203.723609333333	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+3H"	3.021828
"651587"	305.081776	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+3H"	3.021828
"1166067"	102.365442666667	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+3H"	3.021828
"429343"	626.182823	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+NH4"	18.033823
"791432"	930.257323	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+NH4"	18.033823
"1683389"	322.108323	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4"	18.033823
"332397"	313.5950495	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+NH4"	19.041099
"725180"	465.6322995	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+NH4"	19.041099
"1479729"	161.5577995	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+NH4"	19.041099
"396956"	631.138218	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Na"	22.989218
"762324"	935.212718	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+Na"	22.989218
"1613697"	327.063718	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na"	22.989218
"328108"	316.072747	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+Na"	23.996494
"715064"	468.109997	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+Na"	23.996494
"1465602"	164.035497	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+Na"	23.996494
"1055201"	109.692756666667	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2H+Na"	25.00377
"1260890"	337.107986	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+CH3OH+H"	33.033486
"379827"	647.112158	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+K"	38.963158
"741920"	951.186658	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+K"	38.963158
"1542516"	343.037658	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K"	38.963158
"301514"	324.059717	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+K"	39.970434
"695029"	476.096967	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+K"	39.970434
"1446659"	172.022467	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+K"	39.970434
"238546"	650.182826	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+ACN+H"	42.033826
"1214538"	346.108326	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+H"	42.033826
"1195506"	173.557801	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+2H"	43.041102
"192753"	653.12016	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Na-H"	44.97116
"639605"	957.19466	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Na-H"	44.97116
"1135092"	349.04566	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2Na-H"	44.97116
"177653"	327.063718	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Na"	45.978436
"618307"	479.100968	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Na"	45.978436
"1117557"	175.026468	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2Na"	45.978436
"1399380"	117.020070666667	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+2Na"	46.985712
"1431985"	351.087246	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+HCOOH"	47.012746
"221681"	332.09674	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+3H2O+2H"	56.04448
"1513392"	365.13929	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+IsoProp+H"	61.06479
"410889"	335.050688	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Na+K"	61.952376
"774804"	487.087938	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+Na+K"	61.952376
"1667853"	183.013438	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+K"	61.952376
"252916"	672.164768	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+ACN+Na"	64.015768
"1230733"	368.090268	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+Na"	64.015768
"1719619"	368.113793	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4+HCOOH"	64.039293
"1185703"	124.347384666667	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+3Na"	68.967654
"1657783"	373.069188	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+HCOOH"	68.994688
"170843"	685.06804	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2K-H"	76.91904
"610407"	989.14254	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2K-H"	76.91904
"1091270"	380.99354	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2K-H"	76.91904
"145537"	343.037658	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2K"	77.926316
"585099"	495.074908	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2K"	77.926316
"1072891"	191.000408	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2K"	77.926316
"1109380"	383.008092	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2K+H"	78.933592
"1341393"	383.095707	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+DMSO+H"	79.021207
"1014297"	387.134876	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2ACN+H"	83.060376
"1531330"	388.128508	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+IsoProp+Na+H"	84.054008
"997779"	194.071076	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2ACN+2H"	84.067652
"1595564"	389.043128	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K+HCOOH"	84.968628
"1424503"	419.074638	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+CF3COOH"	115.000138
"1156979"	214.584351	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+3ACN+2H"	125.094202
"1704351"	436.101185	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4+CF3COOH"	132.026685
"1638903"	441.05658	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+CF3COOH"	136.98208
"1586590"	457.03052	"C07122"	"Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K+CF3COOH"	152.95602
"807114"	170.0579	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M"	0
"974569"	151.03951	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-H2O-H"	-19.01839
"64517"	112.364657333333	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M-3H"	-3.021828
"505170"	169.050624	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M-3H"	-3.021828
"885158"	55.6786906666667	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-3H"	-3.021828
"5920"	169.050624	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M-2H"	-2.014552
"446575"	254.079574	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M-2H"	-2.014552
"818911"	84.021674	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-2H"	-2.014552
"81452"	339.108524	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M-H"	-1.007276
"519552"	509.166424	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M-H"	-1.007276
"902824"	169.050624	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-H"	-1.007276
"53919"	356.135071	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M-2H+NH4"	16.019271
"491291"	526.192971	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M-2H+NH4"	16.019271
"874561"	186.077171	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-2H+NH4"	16.019271
"34808"	361.090466	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M-2H+Na"	20.974666
"474368"	531.148366	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M-2H+Na"	20.974666
"852169"	191.032566	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-2H+Na"	20.974666
"1619883"	191.032566	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Na-2H"	20.974666
"106986"	187.038963	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M-H+Cl"	33.962126
"548734"	272.067913	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M-H+Cl"	33.962126
"941158"	102.010013	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-H+Cl"	33.962126
"282722"	375.085202	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+Cl"	34.969402
"674079"	545.143102	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+Cl"	34.969402
"1283445"	205.027302	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Cl"	34.969402
"26004"	377.064406	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M-2H+K"	36.948606
"464472"	547.122306	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M-2H+K"	36.948606
"841180"	207.006506	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-2H+K"	36.948606
"1565762"	207.006506	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+K-2H"	36.948606
"956563"	215.056094	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-H+HCOOH"	44.998194
"375871"	385.114001	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+HCOOH-H"	44.998201
"359755"	399.129651	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+Hac-H"	59.013851
"1503119"	229.071751	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Hac-H"	59.013851
"974026"	237.038051	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-H+NaCOOH"	66.980151
"123578"	205.027302	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+2Cl"	69.938804
"565328"	290.056252	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+2Cl"	69.938804
"1034489"	119.998352	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2Cl"	69.938804
"1255891"	248.976785	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Br"	78.918885
"1317974"	251.032772	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Cl+HCOOH"	80.974872
"1324538"	273.014729	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Cl+NaCOOH"	102.956829
"919968"	283.043486	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M-H+CF3COOH"	112.985586
"1295587"	319.020164	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Cl+CF3COOH"	148.962264
"1374843"	135.045224	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H-2H2O"	-35.012676
"1387966"	153.0552	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H-H2O"	-17.0027
"285466"	341.123076	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+H"	1.007276
"677886"	511.180976	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+H"	1.007276
"1358609"	171.065176	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H"	1.007276
"127123"	171.065176	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+2H"	2.014552
"579447"	256.094126	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+2H"	2.014552
"1052134"	86.036226	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2H"	2.014552
"212135"	114.379209333333	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+3H"	3.021828
"652790"	171.065176	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+3H"	3.021828
"1166177"	57.6932426666667	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+3H"	3.021828
"430547"	358.149623	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+NH4"	18.033823
"790447"	528.207523	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+NH4"	18.033823
"1687508"	188.091723	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+NH4"	18.033823
"333235"	179.5784495	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+H+NH4"	19.041099
"726384"	264.6073995	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+H+NH4"	19.041099
"1482392"	94.5494995	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H+NH4"	19.041099
"400346"	363.105018	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+Na"	22.989218
"761341"	533.162918	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+Na"	22.989218
"1611621"	193.047118	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Na"	22.989218
"320565"	182.056147	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+H+Na"	23.996494
"711528"	267.085097	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+H+Na"	23.996494
"1464619"	97.027197	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H+Na"	23.996494
"1053040"	65.0205566666667	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2H+Na"	25.00377
"1257393"	203.091386	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+CH3OH+H"	33.033486
"377183"	379.078958	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+K"	38.963158
"739841"	549.136858	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+K"	38.963158
"1542262"	209.021058	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+K"	38.963158
"302719"	190.043117	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+H+K"	39.970434
"694047"	275.072067	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+H+K"	39.970434
"1445728"	105.014167	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H+K"	39.970434
"238656"	382.149626	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+ACN+H"	42.033826
"1212462"	212.091726	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+ACN+H"	42.033826
"1196346"	106.549501	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+ACN+2H"	43.041102
"189093"	385.08696	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+2Na-H"	44.97116
"632424"	555.14486	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+2Na-H"	44.97116
"1142127"	215.02906	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2Na-H"	44.97116
"177399"	193.047118	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+2Na"	45.978436
"620239"	278.076068	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+2Na"	45.978436
"1117546"	108.018168	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2Na"	45.978436
"1399490"	72.3478706666667	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H+2Na"	46.985712
"1430385"	217.070646	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H+HCOOH"	47.012746
"222520"	198.08014	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+3H2O+2H"	56.04448
"1514231"	231.12269	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+IsoProp+H"	61.06479
"412092"	201.034088	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+Na+K"	61.952376
"774914"	286.063038	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+Na+K"	61.952376
"1669057"	116.005138	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Na+K"	61.952376
"253756"	404.131568	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+ACN+Na"	64.015768
"1228290"	234.073668	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+ACN+Na"	64.015768
"1719365"	234.097193	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+NH4+HCOOH"	64.039293
"1183261"	79.6751846666667	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+3Na"	68.967654
"1657893"	239.052588	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Na+HCOOH"	68.994688
"162202"	417.03484	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+2K-H"	76.91904
"611245"	587.09274	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+2K-H"	76.91904
"1097213"	246.97694	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2K-H"	76.91904
"145646"	209.021058	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"2M+2K"	77.926316
"588489"	294.050008	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"3M+2K"	77.926316
"1071908"	123.992108	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2K"	77.926316
"1110584"	248.991492	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2K+H"	78.933592
"1339316"	249.079107	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+DMSO+H"	79.021207
"1013313"	253.118276	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2ACN+H"	83.060376
"1528159"	254.111908	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+IsoProp+Na+H"	84.054008
"993516"	127.062776	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+2ACN+2H"	84.067652
"1589113"	255.026528	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+K+HCOOH"	84.968628
"1418052"	285.058038	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+H+CF3COOH"	115.000138
"1149799"	147.576051	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+3ACN+2H"	125.094202
"1704461"	302.084585	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+NH4+CF3COOH"	132.026685
"1639013"	307.03998	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+Na+CF3COOH"	136.98208
"1586700"	323.01392	"C07123"	"2-Hydroxy-6-oxo-octa-24-dienoate"	"C8H10O4"	"170.0579"	"M+K+CF3COOH"	152.95602
"803944"	408.1719	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M"	0
"974638"	389.15351	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-H2O-H"	-19.01839
"65720"	271.107324	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M-3H"	-3.021828
"505280"	407.164624	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M-3H"	-3.021828
"885268"	135.050024	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-3H"	-3.021828
"3843"	407.164624	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M-2H"	-2.014552
"446685"	611.250574	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M-2H"	-2.014552
"819385"	203.078674	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-2H"	-2.014552
"79980"	815.336524	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M-H"	-1.007276
"518767"	1223.508424	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M-H"	-1.007276
"900747"	407.164624	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-H"	-1.007276
"51112"	832.363071	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M-2H+NH4"	16.019271
"492497"	1240.534971	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M-2H+NH4"	16.019271
"869205"	424.191171	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-2H+NH4"	16.019271
"33824"	837.318466	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M-2H+Na"	20.974666
"472291"	1245.490366	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M-2H+Na"	20.974666
"855558"	429.146566	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-2H+Na"	20.974666
"1622904"	429.146566	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Na-2H"	20.974666
"106731"	425.152963	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M-H+Cl"	33.962126
"549293"	629.238913	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M-H+Cl"	33.962126
"941147"	221.067013	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-H+Cl"	33.962126
"280676"	851.313202	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+Cl"	34.969402
"673704"	1259.485102	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+Cl"	34.969402
"1283555"	443.141302	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Cl"	34.969402
"26114"	853.292406	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M-2H+K"	36.948606
"463489"	1261.464306	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M-2H+K"	36.948606
"839103"	445.120506	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-2H+K"	36.948606
"1563685"	445.120506	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+K-2H"	36.948606
"953393"	453.170094	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-H+HCOOH"	44.998194
"373795"	861.342001	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+HCOOH-H"	44.998201
"358408"	875.357651	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+Hac-H"	59.013851
"1502864"	467.185751	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Hac-H"	59.013851
"970407"	475.152051	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-H+NaCOOH"	66.980151
"120772"	443.141302	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+2Cl"	69.938804
"564587"	647.227252	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+2Cl"	69.938804
"1030590"	239.055352	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2Cl"	69.938804
"1254180"	487.090785	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Br"	78.918885
"1315534"	489.146772	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Cl+HCOOH"	80.974872
"1324648"	511.128729	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Cl+NaCOOH"	102.956829
"917891"	521.157486	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M-H+CF3COOH"	112.985586
"1295697"	557.134164	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Cl+CF3COOH"	148.962264
"1374953"	373.159224	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H-2H2O"	-35.012676
"1388076"	391.1692	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H-H2O"	-17.0027
"285576"	817.351076	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+H"	1.007276
"677996"	1225.522976	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+H"	1.007276
"1358719"	409.179176	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H"	1.007276
"128326"	409.179176	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+2H"	2.014552
"579557"	613.265126	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+2H"	2.014552
"1044343"	205.093226	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2H"	2.014552
"207142"	273.121876	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+3H"	3.021828
"655086"	409.179176	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+3H"	3.021828
"1166287"	137.064576	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+3H"	3.021828
"431022"	834.377623	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+NH4"	18.033823
"790921"	1242.549523	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+NH4"	18.033823
"1686889"	426.205723	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+NH4"	18.033823
"333345"	417.6924495	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+H+NH4"	19.041099
"726131"	621.7783995	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+H+NH4"	19.041099
"1480315"	213.6064995	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H+NH4"	19.041099
"397176"	839.333018	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+Na"	22.989218
"760357"	1247.504918	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+Na"	22.989218
"1610638"	431.161118	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Na"	22.989218
"319582"	420.170147	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+H+Na"	23.996494
"710910"	624.256097	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+H+Na"	23.996494
"1465095"	216.084197	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H+Na"	23.996494
"1054326"	144.39189	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2H+Na"	25.00377
"1257828"	441.205386	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+CH3OH+H"	33.033486
"377899"	855.306958	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+K"	38.963158
"741776"	1263.478858	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+K"	38.963158
"1540423"	447.135058	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+K"	38.963158
"299911"	428.157117	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+H+K"	39.970434
"691516"	632.243067	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+H+K"	39.970434
"1446877"	224.071167	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H+K"	39.970434
"238766"	858.377626	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+ACN+H"	42.033826
"1210507"	450.205726	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+ACN+H"	42.033826
"1196456"	225.606501	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+ACN+2H"	43.041102
"188918"	861.31496	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+2Na-H"	44.97116
"632534"	1269.48686	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+2Na-H"	44.97116
"1136040"	453.14306	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2Na-H"	44.97116
"172865"	431.161118	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+2Na"	45.978436
"612869"	635.247068	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+2Na"	45.978436
"1115747"	227.075168	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2Na"	45.978436
"1398868"	151.719204	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H+2Na"	46.985712
"1430294"	455.184646	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H+HCOOH"	47.012746
"222630"	436.19414	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+3H2O+2H"	56.04448
"1512881"	469.23669	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+IsoProp+H"	61.06479
"410745"	439.148088	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+Na+K"	61.952376
"776117"	643.234038	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+Na+K"	61.952376
"1670260"	235.062138	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Na+K"	61.952376
"252773"	880.359568	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+ACN+Na"	64.015768
"1229493"	472.187668	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+ACN+Na"	64.015768
"1716559"	472.211193	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+NH4+HCOOH"	64.039293
"1183371"	159.046518	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+3Na"	68.967654
"1658003"	477.166588	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Na+HCOOH"	68.994688
"160854"	893.26284	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+2K-H"	76.91904
"606616"	1301.43474	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+2K-H"	76.91904
"1094772"	485.09094	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2K-H"	76.91904
"145756"	447.135058	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"2M+2K"	77.926316
"588599"	651.221008	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"3M+2K"	77.926316
"1070924"	243.049108	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2K"	77.926316
"1106322"	487.105492	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2K+H"	78.933592
"1338333"	487.193107	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+DMSO+H"	79.021207
"1011237"	491.232276	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2ACN+H"	83.060376
"1527176"	492.225908	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+IsoProp+Na+H"	84.054008
"992533"	246.119776	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+2ACN+2H"	84.067652
"1589587"	493.140528	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+K+HCOOH"	84.968628
"1417433"	523.172038	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+H+CF3COOH"	115.000138
"1148816"	266.633051	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+3ACN+2H"	125.094202
"1704571"	540.198585	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+NH4+CF3COOH"	132.026685
"1639123"	545.15398	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+Na+CF3COOH"	136.98208
"1586810"	561.12792	"C07124"	"Tamsulosin"	"C20H28N2O5S"	"408.1719"	"M+K+CF3COOH"	152.95602
"807334"	300.0666	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M"	0
"980868"	281.04821	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-H2O-H"	-19.01839
"65101"	199.037124	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M-3H"	-3.021828
"508670"	299.059324	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M-3H"	-3.021828
"888659"	99.014924	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-3H"	-3.021828
"9421"	299.059324	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M-2H"	-2.014552
"446795"	449.092624	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M-2H"	-2.014552
"827878"	149.026024	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-2H"	-2.014552
"86776"	599.125924	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M-H"	-1.007276
"526336"	899.192524	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M-H"	-1.007276
"908147"	299.059324	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-H"	-1.007276
"54140"	616.152471	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M-2H+NH4"	16.019271
"490421"	916.219071	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M-2H+NH4"	16.019271
"870409"	316.085871	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-2H+NH4"	16.019271
"37215"	621.107866	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M-2H+Na"	20.974666
"475683"	921.174466	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M-2H+Na"	20.974666
"849349"	321.041266	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-2H+Na"	20.974666
"1624110"	321.041266	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Na-2H"	20.974666
"105018"	317.047663	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M-H+Cl"	33.962126
"548959"	467.080963	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M-H+Cl"	33.962126
"937004"	167.014363	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-H+Cl"	33.962126
"279934"	635.102602	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+Cl"	34.969402
"674178"	935.169202	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+Cl"	34.969402
"1284758"	335.036002	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Cl"	34.969402
"27318"	637.081806	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M-2H+K"	36.948606
"467973"	937.148406	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M-2H+K"	36.948606
"842494"	337.015206	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-2H+K"	36.948606
"1565985"	337.015206	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+K-2H"	36.948606
"951682"	345.064794	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-H+HCOOH"	44.998194
"373177"	645.131401	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+HCOOH-H"	44.998201
"360341"	659.147051	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+Hac-H"	59.013851
"1503706"	359.080451	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Hac-H"	59.013851
"971976"	367.046751	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-H+NaCOOH"	66.980151
"125588"	335.036002	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+2Cl"	69.938804
"565062"	485.069302	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+2Cl"	69.938804
"1024507"	185.002702	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2Cl"	69.938804
"1248095"	378.985485	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Br"	78.918885
"1309449"	381.041472	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Cl+HCOOH"	80.974872
"1332415"	403.023429	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Cl+NaCOOH"	102.956829
"921284"	413.052186	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M-H+CF3COOH"	112.985586
"1302367"	449.028864	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Cl+CF3COOH"	148.962264
"1368504"	265.053924	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H-2H2O"	-35.012676
"1390373"	283.0639	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H-H2O"	-17.0027
"293338"	601.140476	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+H"	1.007276
"684666"	901.207076	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+H"	1.007276
"1356643"	301.073876	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H"	1.007276
"132813"	301.073876	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+2H"	2.014552
"575654"	451.107176	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+2H"	2.014552
"1051745"	151.040576	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2H"	2.014552
"211262"	201.051676	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+3H"	3.021828
"647543"	301.073876	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+3H"	3.021828
"1166761"	101.029476	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+3H"	3.021828
"429673"	618.167023	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+NH4"	18.033823
"789940"	918.233623	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+NH4"	18.033823
"1686999"	318.100423	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+NH4"	18.033823
"332362"	309.5871495	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+H+NH4"	19.041099
"725512"	459.6204495	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+H+NH4"	19.041099
"1479695"	159.5538495	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H+NH4"	19.041099
"397286"	623.122418	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+Na"	22.989218
"762656"	923.189018	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+Na"	22.989218
"1609655"	323.055818	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Na"	22.989218
"322972"	312.064847	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+H+Na"	23.996494
"711018"	462.098147	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+H+Na"	23.996494
"1468484"	162.031547	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H+Na"	23.996494
"1056628"	108.35679	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2H+Na"	25.00377
"1259034"	333.100086	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+CH3OH+H"	33.033486
"379431"	639.096358	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+K"	38.963158
"739088"	939.162958	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+K"	38.963158
"1541389"	339.029758	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+K"	38.963158
"300750"	320.051817	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+H+K"	39.970434
"691509"	470.085117	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+H+K"	39.970434
"1450276"	170.018517	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H+K"	39.970434
"236694"	642.167026	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+ACN+H"	42.033826
"1218154"	342.100426	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+ACN+H"	42.033826
"1205317"	171.553851	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+ACN+2H"	43.041102
"189924"	645.10436	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+2Na-H"	44.97116
"638842"	945.17096	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+2Na-H"	44.97116
"1136515"	345.03776	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2Na-H"	44.97116
"177619"	323.055818	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+2Na"	45.978436
"620095"	473.089118	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+2Na"	45.978436
"1117403"	173.022518	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2Na"	45.978436
"1399224"	115.684104	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H+2Na"	46.985712
"1430366"	347.079346	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H+HCOOH"	47.012746
"223470"	328.08884	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+3H2O+2H"	56.04448
"1515543"	361.13139	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+IsoProp+H"	61.06479
"410131"	331.042788	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+Na+K"	61.952376
"772948"	481.076088	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+Na+K"	61.952376
"1667092"	181.009488	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Na+K"	61.952376
"258353"	664.148968	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+ACN+Na"	64.015768
"1233250"	364.082368	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+ACN+Na"	64.015768
"1716669"	364.105893	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+NH4+HCOOH"	64.039293
"1187492"	123.011418	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+3Na"	68.967654
"1661031"	369.061288	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Na+HCOOH"	68.994688
"158414"	677.05224	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+2K-H"	76.91904
"598338"	977.11884	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+2K-H"	76.91904
"1087590"	376.98564	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2K-H"	76.91904
"145866"	339.029758	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"2M+2K"	77.926316
"584698"	489.063058	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"3M+2K"	77.926316
"1076503"	188.996458	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2K"	77.926316
"1104245"	379.000192	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2K+H"	78.933592
"1344640"	379.087807	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+DMSO+H"	79.021207
"1014264"	383.126976	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2ACN+H"	83.060376
"1533847"	384.120608	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+IsoProp+Na+H"	84.054008
"994829"	192.067126	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+2ACN+2H"	84.067652
"1589697"	385.035228	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+K+HCOOH"	84.968628
"1421553"	415.066738	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+H+CF3COOH"	115.000138
"1151843"	212.580401	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+3ACN+2H"	125.094202
"1704681"	432.093285	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+NH4+CF3COOH"	132.026685
"1639239"	437.04868	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+Na+CF3COOH"	136.98208
"1586920"	453.02262	"C07125"	"Temazepam"	"C16H13ClN2O2"	"300.0666"	"M+K+CF3COOH"	152.95602
"809634"	174.0681	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M"	0
"982071"	155.04971	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-H2O-H"	-19.01839
"67035"	115.038124	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M-3H"	-3.021828
"503435"	173.060824	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M-3H"	-3.021828
"882209"	57.015424	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-3H"	-3.021828
"12812"	173.060824	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M-2H"	-2.014552
"446906"	260.094874	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M-2H"	-2.014552
"819603"	86.026774	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-2H"	-2.014552
"80565"	347.128924	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M-H"	-1.007276
"521706"	521.197024	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M-H"	-1.007276
"897805"	173.060824	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-H"	-1.007276
"52061"	364.155471	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M-2H+NH4"	16.019271
"491622"	538.223571	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M-2H+NH4"	16.019271
"872341"	190.087371	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-2H+NH4"	16.019271
"38418"	369.110866	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M-2H+Na"	20.974666
"475793"	543.178966	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M-2H+Na"	20.974666
"849701"	195.042766	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-2H+Na"	20.974666
"1624220"	195.042766	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Na-2H"	20.974666
"105128"	191.049163	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M-H+Cl"	33.962126
"549235"	278.083213	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M-H+Cl"	33.962126
"942425"	104.015113	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-H+Cl"	33.962126
"276764"	383.105602	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+Cl"	34.969402
"670278"	557.173702	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+Cl"	34.969402
"1280496"	209.037502	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Cl"	34.969402
"24147"	385.084806	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M-2H+K"	36.948606
"468082"	559.152906	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M-2H+K"	36.948606
"845520"	211.016706	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-2H+K"	36.948606
"1567188"	211.016706	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+K-2H"	36.948606
"952885"	219.066294	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-H+HCOOH"	44.998194
"371099"	393.134401	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+HCOOH-H"	44.998201
"356077"	407.150051	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+Hac-H"	59.013851
"1501629"	233.081951	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Hac-H"	59.013851
"970629"	241.048251	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-H+NaCOOH"	66.980151
"121360"	209.037502	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+2Cl"	69.938804
"560919"	296.071552	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+2Cl"	69.938804
"1025346"	122.003452	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2Cl"	69.938804
"1242737"	252.986985	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Br"	78.918885
"1308466"	255.042972	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Cl+HCOOH"	80.974872
"1331067"	277.024929	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Cl+NaCOOH"	102.956829
"918114"	287.053686	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M-H+CF3COOH"	112.985586
"1295917"	323.030364	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Cl+CF3COOH"	148.962264
"1368978"	139.055424	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H-2H2O"	-35.012676
"1388296"	157.0654	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H-H2O"	-17.0027
"290168"	349.143476	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+H"	1.007276
"686963"	523.211576	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+H"	1.007276
"1356753"	175.075376	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H"	1.007276
"136203"	175.075376	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+2H"	2.014552
"571390"	262.109426	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+2H"	2.014552
"1044564"	88.041326	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2H"	2.014552
"208092"	117.052676	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+3H"	3.021828
"648019"	175.075376	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+3H"	3.021828
"1167603"	59.029976	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+3H"	3.021828
"430148"	366.170023	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+NH4"	18.033823
"788592"	540.238123	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+NH4"	18.033823
"1686745"	192.101923	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+NH4"	18.033823
"332107"	183.5886495	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+H+NH4"	19.041099
"724165"	270.6226995	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+H+NH4"	19.041099
"1479077"	96.5545995	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H+NH4"	19.041099
"400676"	371.125418	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+Na"	22.989218
"763859"	545.193518	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+Na"	22.989218
"1610858"	197.057318	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Na"	22.989218
"320895"	186.066347	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+H+Na"	23.996494
"710036"	273.100397	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+H+Na"	23.996494
"1466043"	99.032297	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H+Na"	23.996494
"1056373"	66.35729	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2H+Na"	25.00377
"1262060"	207.101586	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+CH3OH+H"	33.033486
"378569"	387.099358	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+K"	38.963158
"739078"	561.167458	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+K"	38.963158
"1542593"	213.031258	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+K"	38.963158
"300862"	194.053317	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+H+K"	39.970434
"693282"	281.087367	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+H+K"	39.970434
"1450386"	107.019267	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H+K"	39.970434
"238990"	390.170026	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+ACN+H"	42.033826
"1219357"	216.101926	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+ACN+H"	42.033826
"1205427"	108.554601	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+ACN+2H"	43.041102
"189913"	393.10736	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+2Na-H"	44.97116
"638952"	567.17546	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+2Na-H"	44.97116
"1136625"	219.03926	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2Na-H"	44.97116
"173959"	197.057318	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+2Na"	45.978436
"616557"	284.091368	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+2Na"	45.978436
"1120793"	110.023268	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2Na"	45.978436
"1401038"	73.684604	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H+2Na"	46.985712
"1432059"	221.080846	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H+HCOOH"	47.012746
"224309"	202.09034	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+3H2O+2H"	56.04448
"1514560"	235.13289	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+IsoProp+H"	61.06479
"409269"	205.044288	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+Na+K"	61.952376
"774152"	292.078338	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+Na+K"	61.952376
"1669390"	118.010238	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Na+K"	61.952376
"257370"	412.151968	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+ACN+Na"	64.015768
"1233360"	238.083868	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+ACN+Na"	64.015768
"1717143"	238.107393	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+NH4+HCOOH"	64.039293
"1184685"	81.011918	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+3Na"	68.967654
"1656766"	243.062788	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Na+HCOOH"	68.994688
"157277"	425.05524	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+2K-H"	76.91904
"599907"	599.12334	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+2K-H"	76.91904
"1085512"	250.98714	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2K-H"	76.91904
"141718"	213.031258	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"2M+2K"	77.926316
"581646"	300.065308	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"3M+2K"	77.926316
"1068747"	125.997208	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2K"	77.926316
"1100464"	253.001692	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2K+H"	78.933592
"1336607"	253.089307	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+DMSO+H"	79.021207
"1010363"	257.128476	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2ACN+H"	83.060376
"1524844"	258.122108	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+IsoProp+Na+H"	84.054008
"991049"	129.067876	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+2ACN+2H"	84.067652
"1589441"	259.036728	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+K+HCOOH"	84.968628
"1415223"	289.068238	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+H+CF3COOH"	115.000138
"1147334"	149.581151	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+3ACN+2H"	125.094202
"1706980"	306.094785	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+NH4+CF3COOH"	132.026685
"1636069"	311.05018	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+Na+CF3COOH"	136.98208
"1577189"	327.02412	"C07126"	"Menadiol"	"C11H10O2"	"174.0681"	"M+K+CF3COOH"	152.95602
"804274"	387.1907	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M"	0
"975621"	368.17231	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-H2O-H"	-19.01839
"75530"	257.119857333333	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M-3H"	-3.021828
"514360"	386.183424	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M-3H"	-3.021828
"885601"	128.056290666667	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-3H"	-3.021828
"9642"	386.183424	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M-2H"	-2.014552
"447017"	579.778774	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M-2H"	-2.014552
"819715"	192.588074	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-2H"	-2.014552
"83716"	773.374124	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M-H"	-1.007276
"524369"	1160.564824	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M-H"	-1.007276
"900348"	386.183424	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-H"	-1.007276
"54359"	790.400671	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M-2H+NH4"	16.019271
"494649"	1177.591371	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M-2H+NH4"	16.019271
"872815"	403.209971	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-2H+NH4"	16.019271
"34153"	795.356066	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M-2H+Na"	20.974666
"474931"	1182.546766	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M-2H+Na"	20.974666
"851638"	408.165366	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-2H+Na"	20.974666
"1623235"	408.165366	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Na-2H"	20.974666
"104145"	404.171763	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M-H+Cl"	33.962126
"549953"	597.767113	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M-H+Cl"	33.962126
"942409"	210.576413	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-H+Cl"	33.962126
"276874"	809.350802	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+Cl"	34.969402
"669295"	1196.541502	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+Cl"	34.969402
"1281699"	422.160102	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Cl"	34.969402
"24257"	811.330006	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M-2H+K"	36.948606
"468192"	1198.520706	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M-2H+K"	36.948606
"847089"	424.139306	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-2H+K"	36.948606
"1566205"	424.139306	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+K-2H"	36.948606
"953724"	432.188894	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-H+HCOOH"	44.998194
"371209"	819.379601	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+HCOOH-H"	44.998201
"353999"	833.395251	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+Hac-H"	59.013851
"1499552"	446.204551	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Hac-H"	59.013851
"966001"	454.170851	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-H+NaCOOH"	66.980151
"118187"	422.160102	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+2Cl"	69.938804
"559935"	615.755452	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+2Cl"	69.938804
"1021638"	228.564752	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2Cl"	69.938804
"1243210"	466.109585	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Br"	78.918885
"1308576"	468.165572	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Cl+HCOOH"	80.974872
"1326073"	490.147529	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Cl+NaCOOH"	102.956829
"914944"	500.176286	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M-H+CF3COOH"	112.985586
"1292747"	536.152964	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Cl+CF3COOH"	148.962264
"1369452"	352.178024	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H-2H2O"	-35.012676
"1388406"	370.188	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H-H2O"	-17.0027
"290278"	775.388676	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+H"	1.007276
"685980"	1162.579376	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+H"	1.007276
"1357956"	388.197976	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H"	1.007276
"133033"	388.197976	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+2H"	2.014552
"570407"	581.793326	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+2H"	2.014552
"1047953"	194.602626	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2H"	2.014552
"207473"	259.134409333333	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+3H"	3.021828
"648128"	388.197976	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+3H"	3.021828
"1167713"	130.070842666667	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+3H"	3.021828
"430257"	792.415223	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+NH4"	18.033823
"790160"	1179.605923	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+NH4"	18.033823
"1686854"	405.224523	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+NH4"	18.033823
"331244"	396.7112495	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+H+NH4"	19.041099
"723911"	590.3065995	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+H+NH4"	19.041099
"1479553"	203.1158995	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H+NH4"	19.041099
"400787"	797.370618	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+Na"	22.989218
"762876"	1184.561318	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+Na"	22.989218
"1607688"	410.179918	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Na"	22.989218
"321005"	399.188947	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+H+Na"	23.996494
"711240"	592.784297	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+H+Na"	23.996494
"1463965"	205.593597	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H+Na"	23.996494
"1056120"	137.398156666667	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2H+Na"	25.00377
"1259985"	420.224186	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+CH3OH+H"	33.033486
"378558"	813.344558	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+K"	38.963158
"739797"	1200.535258	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+K"	38.963158
"1541611"	426.153858	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+K"	38.963158
"299879"	407.175917	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+H+K"	39.970434
"694485"	600.771267	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+H+K"	39.970434
"1448310"	213.580567	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H+K"	39.970434
"238007"	816.415226	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+ACN+H"	42.033826
"1219467"	429.224526	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+ACN+H"	42.033826
"1204444"	215.115901	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+ACN+2H"	43.041102
"190873"	819.35256	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+2Na-H"	44.97116
"639062"	1206.54326	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+2Na-H"	44.97116
"1136007"	432.16186	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2Na-H"	44.97116
"175284"	410.179918	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+2Na"	45.978436
"616667"	603.775268	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+2Na"	45.978436
"1121269"	216.584568	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2Na"	45.978436
"1401513"	144.725470666667	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H+2Na"	46.985712
"1432655"	434.203446	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H+HCOOH"	47.012746
"225512"	415.21294	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+3H2O+2H"	56.04448
"1514670"	448.25549	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+IsoProp+H"	61.06479
"414360"	418.166888	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+Na+K"	61.952376
"771223"	611.762238	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+Na+K"	61.952376
"1668406"	224.571538	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Na+K"	61.952376
"259303"	838.397168	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+ACN+Na"	64.015768
"1232376"	451.206468	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+ACN+Na"	64.015768
"1717617"	451.229993	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+NH4+HCOOH"	64.039293
"1184431"	152.052784666667	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+3Na"	68.967654
"1653595"	456.185388	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Na+HCOOH"	68.994688
"157778"	851.30044	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+2K-H"	76.91904
"598068"	1238.49114	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+2K-H"	76.91904
"1085622"	464.10974	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2K-H"	76.91904
"142803"	426.153858	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"2M+2K"	77.926316
"581876"	619.749208	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"3M+2K"	77.926316
"1069062"	232.558508	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2K"	77.926316
"1100938"	466.124292	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2K+H"	78.933592
"1337080"	466.211907	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+DMSO+H"	79.021207
"1010473"	470.251076	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2ACN+H"	83.060376
"1525071"	471.244708	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+IsoProp+Na+H"	84.054008
"990792"	235.629176	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+2ACN+2H"	84.067652
"1588579"	472.159328	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+K+HCOOH"	84.968628
"1415576"	502.190838	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+H+CF3COOH"	115.000138
"1147323"	256.142451	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+3ACN+2H"	125.094202
"1708184"	519.217385	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+NH4+CF3COOH"	132.026685
"1636179"	524.17278	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+Na+CF3COOH"	136.98208
"1577299"	540.14672	"C07127"	"Terazosin;Terazosine"	"C19H25N5O4"	"387.1907"	"M+K+CF3COOH"	152.95602
"807664"	247.1572	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M"	0
"986664"	228.13881	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-H2O-H"	-19.01839
"75640"	163.764190666667	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M-3H"	-3.021828
"511190"	246.149924	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M-3H"	-3.021828
"885711"	81.3784573333333	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-3H"	-3.021828
"9752"	246.149924	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M-2H"	-2.014552
"447127"	369.728524	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M-2H"	-2.014552
"822741"	122.571324	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-2H"	-2.014552
"84190"	493.307124	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M-H"	-1.007276
"523384"	740.464324	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M-H"	-1.007276
"903374"	246.149924	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-H"	-1.007276
"52646"	510.333671	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M-2H+NH4"	16.019271
"495123"	757.490871	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M-2H+NH4"	16.019271
"869645"	263.176471	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-2H+NH4"	16.019271
"37543"	515.289066	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M-2H+Na"	20.974666
"476013"	762.446266	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M-2H+Na"	20.974666
"854906"	268.131866	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-2H+Na"	20.974666
"1620429"	268.131866	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Na-2H"	20.974666
"106442"	264.138263	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M-H+Cl"	33.962126
"549163"	387.716863	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M-H+Cl"	33.962126
"942073"	140.559663	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-H+Cl"	33.962126
"282660"	529.283802	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+Cl"	34.969402
"669404"	776.441002	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+Cl"	34.969402
"1281810"	282.126602	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Cl"	34.969402
"28741"	531.263006	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M-2H+K"	36.948606
"468303"	778.420206	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M-2H+K"	36.948606
"841730"	284.105806	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-2H+K"	36.948606
"1565219"	284.105806	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+K-2H"	36.948606
"954927"	292.155394	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-H+HCOOH"	44.998194
"372413"	539.312601	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+HCOOH-H"	44.998201
"358482"	553.328251	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+Hac-H"	59.013851
"1501847"	306.171051	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Hac-H"	59.013851
"968295"	314.137351	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-H+NaCOOH"	66.980151
"119390"	282.126602	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+2Cl"	69.938804
"563325"	405.705202	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+2Cl"	69.938804
"1026656"	158.548002	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2Cl"	69.938804
"1243320"	326.076085	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Br"	78.918885
"1306862"	328.132072	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Cl+HCOOH"	80.974872
"1322172"	350.114029	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Cl+NaCOOH"	102.956829
"915418"	360.142786	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M-H+CF3COOH"	112.985586
"1299417"	396.119464	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Cl+CF3COOH"	148.962264
"1369198"	212.144524	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H-2H2O"	-35.012676
"1390703"	230.1545	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H-H2O"	-17.0027
"291481"	495.321676	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+H"	1.007276
"686090"	742.478876	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+H"	1.007276
"1356973"	248.164476	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H"	1.007276
"135330"	248.164476	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+2H"	2.014552
"571610"	371.743076	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+2H"	2.014552
"1046970"	124.585876	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2H"	2.014552
"209406"	165.778742666667	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+3H"	3.021828
"648238"	248.164476	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+3H"	3.021828
"1166730"	83.3930093333333	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+3H"	3.021828
"432555"	512.348223	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+NH4"	18.033823
"790999"	759.505423	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+NH4"	18.033823
"1685871"	265.191023	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+NH4"	18.033823
"332328"	256.6777495	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+H+NH4"	19.041099
"724018"	380.2563495	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+H+NH4"	19.041099
"1479663"	133.0991495	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H+NH4"	19.041099
"397616"	517.303618	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+Na"	22.989218
"760798"	764.460818	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+Na"	22.989218
"1608891"	270.146418	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Na"	22.989218
"323301"	259.155447	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+H+Na"	23.996494
"710253"	382.734047	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+H+Na"	23.996494
"1465170"	135.576847	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H+Na"	23.996494
"1056958"	90.7203233333333	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2H+Na"	25.00377
"1259727"	280.190686	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+CH3OH+H"	33.033486
"378669"	533.277558	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+K"	38.963158
"740027"	780.434758	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+K"	38.963158
"1541720"	286.120358	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+K"	38.963158
"299259"	267.142417	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+H+K"	39.970434
"694596"	390.721017	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+H+K"	39.970434
"1447324"	143.563817	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H+K"	39.970434
"237022"	536.348226	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+ACN+H"	42.033826
"1216295"	289.191026	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+ACN+H"	42.033826
"1206742"	145.099151	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+ACN+2H"	43.041102
"191956"	539.28556	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+2Na-H"	44.97116
"636985"	786.44276	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+2Na-H"	44.97116
"1137209"	292.12836	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2Na-H"	44.97116
"175758"	270.146418	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+2Na"	45.978436
"617141"	393.725018	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+2Na"	45.978436
"1120647"	146.567818	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2Na"	45.978436
"1400161"	98.0476373333333	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H+2Na"	46.985712
"1434831"	294.169946	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H+HCOOH"	47.012746
"221974"	275.17944	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+3H2O+2H"	56.04448
"1509672"	308.22199	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+IsoProp+H"	61.06479
"413377"	278.133388	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+Na+K"	61.952376
"773278"	401.711988	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+Na+K"	61.952376
"1668516"	154.554788	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Na+K"	61.952376
"259777"	558.330168	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+ACN+Na"	64.015768
"1234309"	311.172968	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+ACN+Na"	64.015768
"1716269"	311.196493	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+NH4+HCOOH"	64.039293
"1184541"	105.374951333333	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+3Na"	68.967654
"1656257"	316.151888	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Na+HCOOH"	68.994688
"158864"	571.23344	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+2K-H"	76.91904
"599031"	818.39064	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+2K-H"	76.91904
"1086825"	324.07624	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2K-H"	76.91904
"149473"	286.120358	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"2M+2K"	77.926316
"582349"	409.698958	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"3M+2K"	77.926316
"1069051"	162.541758	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2K"	77.926316
"1101169"	326.090792	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2K+H"	78.933592
"1337678"	326.178407	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+DMSO+H"	79.021207
"1012769"	330.217576	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2ACN+H"	83.060376
"1524939"	331.211208	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+IsoProp+Na+H"	84.054008
"991024"	165.612426	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+2ACN+2H"	84.067652
"1589661"	332.125828	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+K+HCOOH"	84.968628
"1418602"	362.157338	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+H+CF3COOH"	115.000138
"1147799"	186.125701	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+3ACN+2H"	125.094202
"1709387"	379.183885	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+NH4+CF3COOH"	132.026685
"1642849"	384.13928	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+Na+CF3COOH"	136.98208
"1577409"	400.11322	"C07128"	"Meperidine;Pethidine"	"C15H21NO2"	"247.1572"	"M+K+CF3COOH"	152.95602
"804494"	225.1365	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M"	0
"981307"	206.11811	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-H2O-H"	-19.01839
"72834"	149.083724	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M-3H"	-3.021828
"508020"	224.129224	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M-3H"	-3.021828
"885821"	74.038224	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-3H"	-3.021828
"6582"	224.129224	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M-2H"	-2.014552
"447237"	336.697474	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M-2H"	-2.014552
"821758"	111.560974	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-2H"	-2.014552
"89403"	449.265724	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M-H"	-1.007276
"527869"	674.402224	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M-H"	-1.007276
"905671"	224.129224	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-H"	-1.007276
"51298"	466.292271	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M-2H+NH4"	16.019271
"495233"	691.428771	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M-2H+NH4"	16.019271
"869755"	241.155771	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-2H+NH4"	16.019271
"35466"	471.247666	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M-2H+Na"	20.974666
"473936"	696.384166	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M-2H+Na"	20.974666
"853923"	246.111166	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-2H+Na"	20.974666
"1621268"	246.111166	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Na-2H"	20.974666
"106552"	242.117563	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M-H+Cl"	33.962126
"547206"	354.685813	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M-H+Cl"	33.962126
"940725"	129.549313	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-H+Cl"	33.962126
"280741"	485.242402	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+Cl"	34.969402
"669514"	710.378902	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+Cl"	34.969402
"1281920"	260.105902	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Cl"	34.969402
"27758"	487.221606	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M-2H+K"	36.948606
"469142"	712.358106	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M-2H+K"	36.948606
"842933"	262.085106	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-2H+K"	36.948606
"1566423"	262.085106	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+K-2H"	36.948606
"955401"	270.134694	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-H+HCOOH"	44.998194
"372523"	495.271201	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+HCOOH-H"	44.998201
"358592"	509.286851	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+Hac-H"	59.013851
"1500863"	284.150351	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Hac-H"	59.013851
"966219"	292.116651	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-H+NaCOOH"	66.980151
"119500"	260.105902	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+2Cl"	69.938804
"563435"	372.674152	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+2Cl"	69.938804
"1027859"	147.537652	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2Cl"	69.938804
"1241972"	304.055385	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Br"	78.918885
"1306972"	306.111372	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Cl+HCOOH"	80.974872
"1321553"	328.093329	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Cl+NaCOOH"	102.956829
"915164"	338.122086	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M-H+CF3COOH"	112.985586
"1298434"	374.098764	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Cl+CF3COOH"	148.962264
"1368944"	190.123824	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H-2H2O"	-35.012676
"1390813"	208.1338	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H-H2O"	-17.0027
"291591"	451.280276	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+H"	1.007276
"682920"	676.416776	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+H"	1.007276
"1360363"	226.143776	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H"	1.007276
"135440"	226.143776	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+2H"	2.014552
"568075"	338.712026	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+2H"	2.014552
"1044893"	113.575526	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2H"	2.014552
"206235"	151.098276	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+3H"	3.021828
"650168"	226.143776	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+3H"	3.021828
"1164284"	76.052776	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+3H"	3.021828
"428653"	468.306823	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+NH4"	18.033823
"791473"	693.443323	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+NH4"	18.033823
"1685614"	243.170323	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+NH4"	18.033823
"331708"	234.6570495	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+H+NH4"	19.041099
"723194"	347.2252995	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+H+NH4"	19.041099
"1477950"	122.0887995	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H+NH4"	19.041099
"399912"	473.262218	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+Na"	22.989218
"764187"	698.398718	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+Na"	22.989218
"1606815"	248.125718	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Na"	22.989218
"322318"	237.134747	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+H+Na"	23.996494
"711460"	349.702997	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+H+Na"	23.996494
"1466373"	124.566497	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H+Na"	23.996494
"1055244"	83.38009	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2H+Na"	25.00377
"1259475"	258.169986	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+CH3OH+H"	33.033486
"378779"	489.236158	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+K"	38.963158
"739287"	714.372658	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+K"	38.963158
"1540736"	264.099658	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+K"	38.963158
"299127"	245.121717	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+H+K"	39.970434
"693614"	357.689967	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+H+K"	39.970434
"1448527"	132.553467	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H+K"	39.970434
"239322"	492.306826	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+ACN+H"	42.033826
"1216405"	267.170326	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+ACN+H"	42.033826
"1202476"	134.088801	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+ACN+2H"	43.041102
"190973"	495.24416	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+2Na-H"	44.97116
"633085"	720.38066	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+2Na-H"	44.97116
"1134404"	270.10766	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2Na-H"	44.97116
"177693"	248.125718	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+2Na"	45.978436
"620171"	360.693968	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+2Na"	45.978436
"1120393"	135.557468	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2Na"	45.978436
"1400638"	90.707404	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H+2Na"	46.985712
"1434942"	272.149246	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H+HCOOH"	47.012746
"224639"	253.15874	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+3H2O+2H"	56.04448
"1513795"	286.20129	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+IsoProp+H"	61.06479
"412395"	256.112688	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+Na+K"	61.952376
"779949"	368.680938	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+Na+K"	61.952376
"1667895"	143.544438	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Na+K"	61.952376
"258429"	514.288768	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+ACN+Na"	64.015768
"1231139"	289.152268	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+ACN+Na"	64.015768
"1717836"	289.175793	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+NH4+HCOOH"	64.039293
"1187568"	98.034718	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+3Na"	68.967654
"1656367"	294.131188	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Na+HCOOH"	68.994688
"158121"	527.19204	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+2K-H"	76.91904
"602787"	752.32854	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+2K-H"	76.91904
"1087665"	302.05554	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2K-H"	76.91904
"150677"	264.099658	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"2M+2K"	77.926316
"582707"	376.667908	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"3M+2K"	77.926316
"1069079"	151.531408	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2K"	77.926316
"1100795"	304.070092	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2K+H"	78.933592
"1341070"	304.157707	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+DMSO+H"	79.021207
"1010693"	308.196876	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2ACN+H"	83.060376
"1526631"	309.190508	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+IsoProp+Na+H"	84.054008
"991378"	154.602076	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+2ACN+2H"	84.067652
"1590865"	310.105128	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+K+HCOOH"	84.968628
"1421992"	340.136638	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+H+CF3COOH"	115.000138
"1147782"	175.115351	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+3ACN+2H"	125.094202
"1709497"	357.163185	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+NH4+CF3COOH"	132.026685
"1642959"	362.11858	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+Na+CF3COOH"	136.98208
"1577519"	378.09252	"C07129"	"Terbutaline"	"C12H19NO3"	"225.1365"	"M+K+CF3COOH"	152.95602
"804604"	180.0647	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M"	0
"981417"	161.04631	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H2O-H"	-19.01839
"72944"	119.035857333333	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-3H"	-3.021828
"508130"	179.057424	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-3H"	-3.021828
"885931"	59.0142906666667	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-3H"	-3.021828
"9972"	179.057424	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H"	-2.014552
"447347"	269.089774	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H"	-2.014552
"825148"	89.025074	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H"	-2.014552
"90606"	359.122124	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-H"	-1.007276
"527979"	539.186824	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-H"	-1.007276
"900313"	179.057424	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H"	-1.007276
"53596"	376.148671	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+NH4"	16.019271
"496801"	556.213371	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+NH4"	16.019271
"874602"	196.083971	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+NH4"	16.019271
"38855"	381.104066	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+Na"	20.974666
"478417"	561.168766	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+Na"	20.974666
"856218"	201.039366	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+Na"	20.974666
"1623564"	201.039366	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na-2H"	20.974666
"102287"	197.045763	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-H+Cl"	33.962126
"541849"	287.078113	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-H+Cl"	33.962126
"940834"	107.013413	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+Cl"	33.962126
"279391"	395.098802	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Cl"	34.969402
"667439"	575.163502	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+Cl"	34.969402
"1282029"	215.034102	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl"	34.969402
"25679"	397.078006	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+K"	36.948606
"469616"	577.142706	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+K"	36.948606
"843043"	217.013306	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+K"	36.948606
"1568721"	217.013306	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K-2H"	36.948606
"954416"	225.062894	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+HCOOH"	44.998194
"370446"	405.127601	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+HCOOH-H"	44.998201
"356516"	419.143251	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Hac-H"	59.013851
"1500973"	239.078551	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Hac-H"	59.013851
"967423"	247.044851	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+NaCOOH"	66.980151
"120703"	215.034102	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Cl"	69.938804
"562452"	305.066452	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Cl"	69.938804
"1025782"	125.001752	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2Cl"	69.938804
"1242081"	258.983585	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Br"	78.918885
"1307082"	261.039572	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+HCOOH"	80.974872
"1322392"	283.021529	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+NaCOOH"	102.956829
"916367"	293.050286	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+CF3COOH"	112.985586
"1296357"	329.026964	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+CF3COOH"	148.962264
"1370146"	145.052024	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H-2H2O"	-35.012676
"1392016"	163.062	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H-H2O"	-17.0027
"292794"	361.136676	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H"	1.007276
"686309"	541.201376	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H"	1.007276
"1361566"	181.071976	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H"	1.007276
"135550"	181.071976	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2H"	2.014552
"570737"	271.104326	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2H"	2.014552
"1048283"	91.039626	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2H"	2.014552
"205616"	121.050409333333	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+3H"	3.021828
"650278"	181.071976	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+3H"	3.021828
"1167310"	61.0288426666667	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+3H"	3.021828
"429492"	378.163223	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+NH4"	18.033823
"792676"	558.227923	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+NH4"	18.033823
"1684995"	198.098523	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4"	18.033823
"334005"	189.5852495	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+NH4"	19.041099
"725331"	279.6175995	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+NH4"	19.041099
"1481340"	99.5528995	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+NH4"	19.041099
"396741"	383.118618	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Na"	22.989218
"758830"	563.183318	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+Na"	22.989218
"1609111"	203.053918	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na"	22.989218
"317321"	192.062947	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+Na"	23.996494
"713755"	282.095297	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+Na"	23.996494
"1463200"	102.030597	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+Na"	23.996494
"1054262"	68.3561566666667	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2H+Na"	25.00377
"1259221"	213.098186	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+CH3OH+H"	33.033486
"379983"	399.092558	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+K"	38.963158
"739885"	579.157258	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+K"	38.963158
"1541939"	219.027858	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K"	38.963158
"302395"	200.049917	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+K"	39.970434
"697004"	290.082267	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+K"	39.970434
"1449730"	110.017567	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+K"	39.970434
"239432"	402.163226	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+ACN+H"	42.033826
"1215422"	222.098526	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+H"	42.033826
"1202586"	111.552901	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+2H"	43.041102
"191083"	405.10056	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Na-H"	44.97116
"636111"	585.16526	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Na-H"	44.97116
"1134514"	225.03586	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2Na-H"	44.97116
"177441"	203.053918	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Na"	45.978436
"621375"	293.086268	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Na"	45.978436
"1119410"	113.021568	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2Na"	45.978436
"1401842"	75.6834706666667	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+2Na"	46.985712
"1432134"	227.077446	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+HCOOH"	47.012746
"226937"	208.08694	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+3H2O+2H"	56.04448
"1512812"	241.12949	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+IsoProp+H"	61.06479
"414688"	211.040888	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Na+K"	61.952376
"776777"	301.073238	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+Na+K"	61.952376
"1670922"	121.008538	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+K"	61.952376
"256347"	424.145168	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+ACN+Na"	64.015768
"1230150"	244.080468	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+Na"	64.015768
"1716850"	244.103993	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4+HCOOH"	64.039293
"1180016"	83.0107846666667	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+3Na"	68.967654
"1654286"	249.059388	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+HCOOH"	68.994688
"160055"	437.04844	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2K-H"	76.91904
"601074"	617.11314	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2K-H"	76.91904
"1085706"	256.98374	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2K-H"	76.91904
"148600"	219.027858	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2K"	77.926316
"582207"	309.060208	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2K"	77.926316
"1069392"	128.995508	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2K"	77.926316
"1102606"	258.998292	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2K+H"	78.933592
"1338993"	259.085907	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+DMSO+H"	79.021207
"1008617"	263.125076	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2ACN+H"	83.060376
"1524677"	264.118708	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+IsoProp+Na+H"	84.054008
"991004"	132.066176	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2ACN+2H"	84.067652
"1590247"	265.033328	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K+HCOOH"	84.968628
"1424288"	295.064838	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+CF3COOH"	115.000138
"1148017"	152.579451	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+3ACN+2H"	125.094202
"1709607"	312.091385	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4+CF3COOH"	132.026685
"1643069"	317.04678	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+CF3COOH"	136.98208
"1577629"	333.02072	"C07130"	"Theophylline;13-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K+CF3COOH"	152.95602
"811275"	201.0361	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M"	0
"984808"	182.01771	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-H2O-H"	-19.01839
"75242"	133.016790666667	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M-3H"	-3.021828
"508240"	200.028824	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M-3H"	-3.021828
"889321"	66.0047573333333	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-3H"	-3.021828
"10083"	200.028824	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M-2H"	-2.014552
"450736"	300.546874	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M-2H"	-2.014552
"823070"	99.510774	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-2H"	-2.014552
"87436"	401.064924	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M-H"	-1.007276
"528089"	602.101024	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M-H"	-1.007276
"901517"	200.028824	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-H"	-1.007276
"54799"	418.091471	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M-2H+NH4"	16.019271
"497639"	619.127571	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M-2H+NH4"	16.019271
"875440"	217.055371	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-2H+NH4"	16.019271
"35685"	423.046866	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M-2H+Na"	20.974666
"477433"	624.082966	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M-2H+Na"	20.974666
"856328"	222.010766	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-2H+Na"	20.974666
"1620394"	222.010766	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Na-2H"	20.974666
"101297"	218.017163	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M-H+Cl"	33.962126
"544146"	318.535213	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M-H+Cl"	33.962126
"938756"	117.499113	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-H+Cl"	33.962126
"271846"	437.041602	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+Cl"	34.969402
"665360"	638.077702	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+Cl"	34.969402
"1282138"	236.005502	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Cl"	34.969402
"29069"	439.020806	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M-2H+K"	36.948606
"470089"	640.056906	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M-2H+K"	36.948606
"847163"	237.984706	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-2H+K"	36.948606
"1567736"	237.984706	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+K-2H"	36.948606
"955620"	246.034294	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-H+HCOOH"	44.998194
"368367"	447.070401	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+HCOOH-H"	44.998201
"357717"	461.086051	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+Hac-H"	59.013851
"1501082"	260.049951	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Hac-H"	59.013851
"967530"	268.016251	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-H+NaCOOH"	66.980151
"119719"	236.005502	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+2Cl"	69.938804
"560376"	336.523552	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+2Cl"	69.938804
"1029172"	135.487452	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2Cl"	69.938804
"1246563"	279.954985	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Br"	78.918885
"1307191"	282.010972	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Cl+HCOOH"	80.974872
"1321406"	303.992929	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Cl+NaCOOH"	102.956829
"916477"	314.021686	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M-H+CF3COOH"	112.985586
"1296468"	349.998364	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Cl+CF3COOH"	148.962264
"1373538"	166.023424	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H-2H2O"	-35.012676
"1388846"	184.0334	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H-H2O"	-17.0027
"292904"	403.079476	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+H"	1.007276
"683139"	604.115576	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+H"	1.007276
"1361676"	202.043376	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H"	1.007276
"134567"	202.043376	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+2H"	2.014552
"570847"	302.561426	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+2H"	2.014552
"1046206"	101.525326	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2H"	2.014552
"211922"	135.031342666667	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+3H"	3.021828
"650388"	202.043376	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+3H"	3.021828
"1167419"	68.0193093333333	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+3H"	3.021828
"426686"	420.106023	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+NH4"	18.033823
"788776"	621.142123	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+NH4"	18.033823
"1682672"	219.069923	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+NH4"	18.033823
"334116"	210.5566495	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+H+NH4"	19.041099
"724347"	311.0746995	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+H+NH4"	19.041099
"1481450"	110.0385995	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H+NH4"	19.041099
"395756"	425.061418	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+Na"	22.989218
"758939"	626.097518	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+Na"	22.989218
"1605207"	224.025318	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Na"	22.989218
"316703"	213.034347	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+H+Na"	23.996494
"710585"	313.552397	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+H+Na"	23.996494
"1463311"	112.516297	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H+Na"	23.996494
"1053758"	75.3466233333333	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2H+Na"	25.00377
"1257507"	234.069586	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+CH3OH+H"	33.033486
"379000"	441.035358	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+K"	38.963158
"739261"	642.071458	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+K"	38.963158
"1540099"	239.999258	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+K"	38.963158
"300319"	221.021317	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+H+K"	39.970434
"693834"	321.539367	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+H+K"	39.970434
"1447654"	120.503267	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H+K"	39.970434
"239542"	444.106026	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+ACN+H"	42.033826
"1215532"	243.069926	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+ACN+H"	42.033826
"1199416"	122.038601	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+ACN+2H"	43.041102
"193014"	447.04336	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+2Na-H"	44.97116
"636221"	648.07946	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+2Na-H"	44.97116
"1135719"	246.00726	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2Na-H"	44.97116
"180832"	224.025318	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+2Na"	45.978436
"621485"	324.543368	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+2Na"	45.978436
"1118792"	123.507268	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2Na"	45.978436
"1402316"	82.6739373333333	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H+2Na"	46.985712
"1431514"	248.048846	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H+HCOOH"	47.012746
"228140"	229.05834	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+3H2O+2H"	56.04448
"1512922"	262.10089	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+IsoProp+H"	61.06479
"411882"	232.012288	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+Na+K"	61.952376
"776887"	332.530338	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+Na+K"	61.952376
"1671032"	131.494238	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Na+K"	61.952376
"254634"	466.087968	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+ACN+Na"	64.015768
"1227704"	265.051868	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+ACN+Na"	64.015768
"1716960"	265.075393	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+NH4+HCOOH"	64.039293
"1180126"	90.0012513333333	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+3Na"	68.967654
"1656586"	270.030788	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Na+HCOOH"	68.994688
"163444"	478.99124	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+2K-H"	76.91904
"606287"	680.02734	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+2K-H"	76.91904
"1090800"	277.95514	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2K-H"	76.91904
"145430"	239.999258	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"2M+2K"	77.926316
"582929"	340.517308	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"3M+2K"	77.926316
"1070601"	139.481208	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2K"	77.926316
"1103811"	279.969692	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2K+H"	78.933592
"1339103"	280.057307	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+DMSO+H"	79.021207
"1009820"	284.096476	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2ACN+H"	83.060376
"1526123"	285.090108	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+IsoProp+Na+H"	84.054008
"993300"	142.551876	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+2ACN+2H"	84.067652
"1588412"	286.004728	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+K+HCOOH"	84.968628
"1424398"	316.036238	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+H+CF3COOH"	115.000138
"1150313"	163.065151	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+3ACN+2H"	125.094202
"1711904"	333.062785	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+NH4+CF3COOH"	132.026685
"1643179"	338.01818	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+Na+CF3COOH"	136.98208
"1577739"	353.99212	"C07131"	"Thiabendazole"	"C10H7N3S"	"201.0361"	"M+K+CF3COOH"	152.95602
"808104"	399.1803	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M"	0
"981637"	380.16191	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-H2O-H"	-19.01839
"76445"	265.112924	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M-3H"	-3.021828
"509443"	398.173024	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M-3H"	-3.021828
"889431"	132.052824	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-3H"	-3.021828
"11286"	398.173024	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M-2H"	-2.014552
"448659"	597.763174	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M-2H"	-2.014552
"823180"	198.582874	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-2H"	-2.014552
"84266"	797.353324	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M-H"	-1.007276
"524919"	1196.533624	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M-H"	-1.007276
"900535"	398.173024	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-H"	-1.007276
"53816"	814.379871	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M-2H+NH4"	16.019271
"496656"	1213.560171	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M-2H+NH4"	16.019271
"872271"	415.199571	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-2H+NH4"	16.019271
"36891"	819.335266	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M-2H+Na"	20.974666
"479731"	1218.515566	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M-2H+Na"	20.974666
"856439"	420.154966	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-2H+Na"	20.974666
"1627067"	420.154966	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Na-2H"	20.974666
"99220"	416.161363	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M-H+Cl"	33.962126
"545349"	615.751513	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M-H+Cl"	33.962126
"937772"	216.571213	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-H+Cl"	33.962126
"273048"	833.330002	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+Cl"	34.969402
"665470"	1232.510302	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+Cl"	34.969402
"1282248"	434.149702	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Cl"	34.969402
"29179"	835.309206	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M-2H+K"	36.948606
"470442"	1234.489506	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M-2H+K"	36.948606
"845450"	436.128906	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-2H+K"	36.948606
"1568939"	436.128906	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+K-2H"	36.948606
"950263"	444.178494	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-H+HCOOH"	44.998194
"370664"	843.358801	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+HCOOH-H"	44.998201
"357826"	857.374451	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+Hac-H"	59.013851
"1504472"	458.194151	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Hac-H"	59.013851
"967642"	466.160451	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-H+NaCOOH"	66.980151
"119829"	434.149702	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+2Cl"	69.938804
"562307"	633.739852	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+2Cl"	69.938804
"1022844"	234.559552	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2Cl"	69.938804
"1246673"	478.099185	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Br"	78.918885
"1306207"	480.155172	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Cl+HCOOH"	80.974872
"1320787"	502.137129	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Cl+NaCOOH"	102.956829
"917680"	512.165886	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M-H+CF3COOH"	112.985586
"1296577"	548.142564	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Cl+CF3COOH"	148.962264
"1371459"	364.167624	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H-2H2O"	-35.012676
"1384944"	382.1776	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H-H2O"	-17.0027
"284630"	799.367876	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+H"	1.007276
"677417"	1198.548176	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+H"	1.007276
"1356319"	400.187576	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H"	1.007276
"134677"	400.187576	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+2H"	2.014552
"574602"	599.777726	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+2H"	2.014552
"1041214"	200.597426	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2H"	2.014552
"206929"	267.127476	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+3H"	3.021828
"650500"	400.187576	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+3H"	3.021828
"1165343"	134.067376	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+3H"	3.021828
"428254"	816.394423	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+NH4"	18.033823
"791802"	1215.574723	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+NH4"	18.033823
"1683392"	417.214123	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+NH4"	18.033823
"334225"	408.7008495	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+H+NH4"	19.041099
"727740"	608.2909995	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+H+NH4"	19.041099
"1482653"	209.1106995	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H+NH4"	19.041099
"396959"	821.349818	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+Na"	22.989218
"761235"	1220.530118	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+Na"	22.989218
"1604223"	422.169518	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Na"	22.989218
"316450"	411.178547	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+H+Na"	23.996494
"710695"	610.768697	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+H+Na"	23.996494
"1463055"	211.588397	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H+Na"	23.996494
"1053868"	141.39469	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2H+Na"	25.00377
"1257981"	432.213786	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+CH3OH+H"	33.033486
"378379"	837.323758	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+K"	38.963158
"739371"	1236.504058	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+K"	38.963158
"1542161"	438.143458	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+K"	38.963158
"298725"	419.165517	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+H+K"	39.970434
"692485"	618.755667	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+H+K"	39.970434
"1446305"	219.575367	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H+K"	39.970434
"239652"	840.394426	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+ACN+H"	42.033826
"1215642"	441.214126	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+ACN+H"	42.033826
"1199526"	221.110701	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+ACN+2H"	43.041102
"193488"	843.33176	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+2Na-H"	44.97116
"640706"	1242.51206	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+2Na-H"	44.97116
"1138745"	444.15146	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2Na-H"	44.97116
"182035"	422.169518	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+2Na"	45.978436
"619408"	621.759668	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+2Na"	45.978436
"1121089"	222.579368	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2Na"	45.978436
"1402428"	148.722004	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H+2Na"	46.985712
"1433812"	446.193046	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H+HCOOH"	47.012746
"222417"	427.20254	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+3H2O+2H"	56.04448
"1510845"	460.24509	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+IsoProp+H"	61.06479
"410167"	430.156488	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+Na+K"	61.952376
"773716"	629.746638	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+Na+K"	61.952376
"1670776"	230.566338	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Na+K"	61.952376
"252555"	862.376368	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+ACN+Na"	64.015768
"1227447"	463.196068	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+ACN+Na"	64.015768
"1714153"	463.219593	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+NH4+HCOOH"	64.039293
"1181695"	156.049318	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+3Na"	68.967654
"1656696"	468.174988	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Na+HCOOH"	68.994688
"164649"	875.27964	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+2K-H"	76.91904
"602026"	1274.45994	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+2K-H"	76.91904
"1088725"	476.09934	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2K-H"	76.91904
"146630"	438.143458	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"2M+2K"	77.926316
"585100"	637.733608	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"3M+2K"	77.926316
"1071799"	238.553308	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2K"	77.926316
"1105012"	478.113892	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2K+H"	78.933592
"1340306"	478.201507	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+DMSO+H"	79.021207
"1007379"	482.240676	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2ACN+H"	83.060376
"1527083"	483.234308	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+IsoProp+Na+H"	84.054008
"992679"	241.623976	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+2ACN+2H"	84.067652
"1587428"	484.148928	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+K+HCOOH"	84.968628
"1422321"	514.180438	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+H+CF3COOH"	115.000138
"1151516"	262.137251	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+3ACN+2H"	125.094202
"1712014"	531.206985	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+NH4+CF3COOH"	132.026685
"1642196"	536.16238	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+Na+CF3COOH"	136.98208
"1577849"	552.13632	"C07132"	"Thiethylperazine;Ethylthioperazine"	"C22H29N3S2"	"399.1803"	"M+K+CF3COOH"	152.95602
"808214"	384.045	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M"	0
"981747"	365.02661	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-H2O-H"	-19.01839
"75462"	255.022724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M-3H"	-3.021828
"511740"	383.037724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M-3H"	-3.021828
"889541"	127.007724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-3H"	-3.021828
"9210"	383.037724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M-2H"	-2.014552
"449863"	575.060224	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M-2H"	-2.014552
"823290"	191.015224	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-2H"	-2.014552
"87656"	767.082724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M-H"	-1.007276
"531589"	1151.127724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M-H"	-1.007276
"902832"	383.037724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-H"	-1.007276
"53927"	784.109271	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M-2H+NH4"	16.019271
"492394"	1168.154271	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M-2H+NH4"	16.019271
"873477"	400.064271	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-2H+NH4"	16.019271
"42470"	789.064666	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M-2H+Na"	20.974666
"480938"	1173.109666	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M-2H+Na"	20.974666
"857646"	405.019666	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-2H+Na"	20.974666
"1628273"	405.019666	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Na-2H"	20.974666
"103705"	401.026063	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M-H+Cl"	33.962126
"544365"	593.048563	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M-H+Cl"	33.962126
"933510"	209.003563	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-H+Cl"	33.962126
"272065"	803.059402	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+Cl"	34.969402
"665582"	1187.104402	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+Cl"	34.969402
"1275798"	419.014402	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Cl"	34.969402
"22729"	805.038606	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M-2H+K"	36.948606
"467757"	1189.083606	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M-2H+K"	36.948606
"845560"	420.993606	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-2H+K"	36.948606
"1570508"	420.993606	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+K-2H"	36.948606
"954748"	429.043194	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-H+HCOOH"	44.998194
"370775"	813.088201	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+HCOOH-H"	44.998201
"355752"	827.103851	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+Hac-H"	59.013851
"1501302"	443.058851	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Hac-H"	59.013851
"968847"	451.025151	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-H+NaCOOH"	66.980151
"122126"	419.014402	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+2Cl"	69.938804
"560592"	611.036902	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+2Cl"	69.938804
"1026114"	226.991902	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2Cl"	69.938804
"1250064"	462.963885	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Br"	78.918885
"1307046"	465.019872	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Cl+HCOOH"	80.974872
"1323452"	487.001829	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Cl+NaCOOH"	102.956829
"921074"	497.030586	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M-H+CF3COOH"	112.985586
"1297780"	533.007264	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Cl+CF3COOH"	148.962264
"1371570"	349.032324	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H-2H2O"	-35.012676
"1383600"	367.0423	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H-H2O"	-17.0027
"286567"	769.097276	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+H"	1.007276
"677896"	1153.142276	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+H"	1.007276
"1351693"	385.052276	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H"	1.007276
"134788"	385.052276	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+2H"	2.014552
"572526"	577.074776	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+2H"	2.014552
"1043147"	193.029776	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2H"	2.014552
"207767"	257.037276	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+3H"	3.021828
"649880"	385.052276	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+3H"	3.021828
"1164359"	129.022276	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+3H"	3.021828
"428730"	786.123823	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+NH4"	18.033823
"791915"	1170.168823	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+NH4"	18.033823
"1685690"	402.078823	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+NH4"	18.033823
"334335"	393.5655495	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+H+NH4"	19.041099
"727850"	585.5880495	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+H+NH4"	19.041099
"1484951"	201.5430495	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H+NH4"	19.041099
"400350"	791.079218	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+Na"	22.989218
"760255"	1175.124218	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+Na"	22.989218
"1605063"	407.034218	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Na"	22.989218
"315104"	396.043247	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+H+Na"	23.996494
"714086"	588.065747	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+H+Na"	23.996494
"1461955"	204.020747	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H+Na"	23.996494
"1053252"	136.34959	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2H+Na"	25.00377
"1257360"	417.078486	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+CH3OH+H"	33.033486
"383594"	807.053158	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+K"	38.963158
"739120"	1191.098158	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+K"	38.963158
"1539887"	423.008158	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+K"	38.963158
"298553"	404.030217	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+H+K"	39.970434
"695148"	596.052717	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+H+K"	39.970434
"1448974"	212.007717	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H+K"	39.970434
"241950"	810.123826	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+ACN+H"	42.033826
"1221221"	426.078826	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+ACN+H"	42.033826
"1208628"	213.543051	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+ACN+2H"	43.041102
"202959"	813.06116	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+2Na-H"	44.97116
"643575"	1197.10616	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+2Na-H"	44.97116
"1141042"	429.01616	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2Na-H"	44.97116
"183238"	407.034218	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+2Na"	45.978436
"623893"	599.056718	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+2Na"	45.978436
"1125212"	215.011718	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2Na"	45.978436
"1404360"	143.676904	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H+2Na"	46.985712
"1434289"	431.057746	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H+HCOOH"	47.012746
"223987"	412.06724	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+3H2O+2H"	56.04448
"1512050"	445.10979	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+IsoProp+H"	61.06479
"417208"	415.021188	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+Na+K"	61.952376
"775650"	607.043688	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+Na+K"	61.952376
"1669429"	222.998688	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Na+K"	61.952376
"258136"	832.105768	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+ACN+Na"	64.015768
"1226106"	448.060768	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+ACN+Na"	64.015768
"1717910"	448.084293	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+NH4+HCOOH"	64.039293
"1183995"	151.004218	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+3Na"	68.967654
"1654981"	453.039688	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Na+HCOOH"	68.994688
"162573"	845.00904	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+2K-H"	76.91904
"599219"	1229.05404	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+2K-H"	76.91904
"1085673"	460.96404	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2K-H"	76.91904
"145652"	423.008158	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"2M+2K"	77.926316
"592499"	615.030658	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"3M+2K"	77.926316
"1075187"	230.985658	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2K"	77.926316
"1101110"	462.978592	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2K+H"	78.933592
"1336286"	463.066207	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+DMSO+H"	79.021207
"1011135"	467.105376	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2ACN+H"	83.060376
"1526223"	468.099008	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+IsoProp+Na+H"	84.054008
"990727"	234.056326	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+2ACN+2H"	84.067652
"1590214"	469.013628	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+K+HCOOH"	84.968628
"1415992"	499.045138	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+H+CF3COOH"	115.000138
"1148346"	254.569601	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+3ACN+2H"	125.094202
"1707748"	516.071685	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+NH4+CF3COOH"	132.026685
"1640118"	521.02708	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+Na+CF3COOH"	136.98208
"1577959"	537.00102	"C07139"	"Ticarcillin"	"C15H16N2O6S2"	"384.045"	"M+K+CF3COOH"	152.95602
"805044"	263.0535	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M"	0
"976388"	244.03511	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-H2O-H"	-19.01839
"76301"	174.361724	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M-3H"	-3.021828
"512944"	262.046224	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M-3H"	-3.021828
"890745"	86.677224	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-3H"	-3.021828
"13694"	262.046224	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M-2H"	-2.014552
"445599"	393.572974	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M-2H"	-2.014552
"822308"	130.519474	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-2H"	-2.014552
"84486"	525.099724	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M-H"	-1.007276
"529513"	788.153224	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M-H"	-1.007276
"906223"	262.046224	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-H"	-1.007276
"57318"	542.126271	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M-2H+NH4"	16.019271
"495784"	805.179771	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M-2H+NH4"	16.019271
"874680"	279.072771	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-2H+NH4"	16.019271
"43674"	547.081666	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M-2H+Na"	20.974666
"483234"	810.135166	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M-2H+Na"	20.974666
"859942"	284.028166	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-2H+Na"	20.974666
"1627289"	284.028166	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Na-2H"	20.974666
"101628"	280.034563	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M-H+Cl"	33.962126
"541195"	411.561313	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M-H+Cl"	33.962126
"937993"	148.507813	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-H+Cl"	33.962126
"269990"	561.076402	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+Cl"	34.969402
"662412"	824.129902	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+Cl"	34.969402
"1279189"	298.022902	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Cl"	34.969402
"22839"	563.055606	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M-2H+K"	36.948606
"466773"	826.109106	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M-2H+K"	36.948606
"845670"	300.002106	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-2H+K"	36.948606
"1568064"	300.002106	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+K-2H"	36.948606
"957410"	308.051694	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-H+HCOOH"	44.998194
"373071"	571.105201	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+HCOOH-H"	44.998201
"358048"	585.120851	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+Hac-H"	59.013851
"1498132"	322.067351	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Hac-H"	59.013851
"972237"	330.033651	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-H+NaCOOH"	66.980151
"122236"	298.022902	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+2Cl"	69.938804
"559609"	429.549652	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+2Cl"	69.938804
"1026224"	166.496152	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2Cl"	69.938804
"1251269"	341.972385	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Br"	78.918885
"1307156"	344.028372	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Cl+HCOOH"	80.974872
"1323562"	366.010329	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Cl+NaCOOH"	102.956829
"923370"	376.039086	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M-H+CF3COOH"	112.985586
"1298985"	412.015764	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Cl+CF3COOH"	148.962264
"1373868"	228.040824	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H-2H2O"	-35.012676
"1385898"	246.0508	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H-H2O"	-17.0027
"288865"	527.114276	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+H"	1.007276
"683474"	790.167776	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+H"	1.007276
"1358731"	264.060776	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H"	1.007276
"128703"	264.060776	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+2H"	2.014552
"572275"	395.587526	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+2H"	2.014552
"1041436"	132.534026	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2H"	2.014552
"212251"	176.376276	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+3H"	3.021828
"647439"	264.060776	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+3H"	3.021828
"1166657"	88.691776	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+3H"	3.021828
"429936"	544.140823	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+NH4"	18.033823
"790930"	807.194323	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+NH4"	18.033823
"1689446"	281.087323	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+NH4"	18.033823
"334444"	272.5740495	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+H+NH4"	19.041099
"729054"	404.1007995	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+H+NH4"	19.041099
"1480690"	141.0472995	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H+NH4"	19.041099
"401554"	549.096218	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+Na"	22.989218
"759272"	812.149718	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+Na"	22.989218
"1605179"	286.042718	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Na"	22.989218
"320682"	275.051747	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+H+Na"	23.996494
"708725"	406.578497	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+H+Na"	23.996494
"1461336"	143.524997	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H+Na"	23.996494
"1053000"	96.01909	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2H+Na"	25.00377
"1258931"	296.086986	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+CH3OH+H"	33.033486
"377870"	565.070158	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+K"	38.963158
"740327"	828.123658	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+K"	38.963158
"1540189"	302.016658	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+K"	38.963158
"300284"	283.038717	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+H+K"	39.970434
"695260"	414.565467	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+H+K"	39.970434
"1453459"	151.511967	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H+K"	39.970434
"243153"	568.140826	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+ACN+H"	42.033826
"1219143"	305.087326	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+ACN+H"	42.033826
"1209348"	153.047301	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+ACN+2H"	43.041102
"202099"	571.07816	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+2Na-H"	44.97116
"642024"	834.13166	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+2Na-H"	44.97116
"1145648"	308.02466	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2Na-H"	44.97116
"183348"	286.042718	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+2Na"	45.978436
"623638"	417.569468	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+2Na"	45.978436
"1126413"	154.515968	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2Na"	45.978436
"1403377"	103.346404	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H+2Na"	46.985712
"1436589"	310.066246	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H+HCOOH"	47.012746
"230660"	291.07574	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+3H2O+2H"	56.04448
"1511065"	324.11829	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+IsoProp+H"	61.06479
"416224"	294.029688	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+Na+K"	61.952376
"773937"	425.556438	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+Na+K"	61.952376
"1665933"	162.502938	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Na+K"	61.952376
"252410"	590.122768	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+ACN+Na"	64.015768
"1228403"	327.069268	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+ACN+Na"	64.015768
"1715103"	327.092793	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+NH4+HCOOH"	64.039293
"1180822"	110.673718	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+3Na"	68.967654
"1655089"	332.048188	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Na+HCOOH"	68.994688
"159402"	603.02604	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+2K-H"	76.91904
"597990"	866.07954	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+2K-H"	76.91904
"1084930"	339.97254	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2K-H"	76.91904
"143936"	302.016658	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"2M+2K"	77.926316
"584586"	433.543408	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"3M+2K"	77.926316
"1069829"	170.489908	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2K"	77.926316
"1100491"	341.987092	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2K+H"	78.933592
"1339435"	342.074707	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+DMSO+H"	79.021207
"1016713"	346.113876	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2ACN+H"	83.060376
"1529374"	347.107508	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+IsoProp+Na+H"	84.054008
"992542"	173.560576	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+2ACN+2H"	84.067652
"1591418"	348.022128	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+K+HCOOH"	84.968628
"1418169"	378.053638	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+H+CF3COOH"	115.000138
"1151738"	194.073851	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+3ACN+2H"	125.094202
"1707858"	395.080185	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+NH4+CF3COOH"	132.026685
"1634311"	400.03558	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+Na+CF3COOH"	136.98208
"1578069"	416.00952	"C07140"	"Ticlopidine"	"C14H14ClNS"	"263.0535"	"M+K+CF3COOH"	152.95602
"808434"	316.1569	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M"	0
"977592"	297.13851	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-H2O-H"	-19.01839
"64742"	209.763990666667	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M-3H"	-3.021828
"513054"	315.149624	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M-3H"	-3.021828
"886481"	104.378357333333	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-3H"	-3.021828
"14900"	315.149624	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M-2H"	-2.014552
"454215"	473.228074	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M-2H"	-2.014552
"823512"	157.071174	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-2H"	-2.014552
"91157"	631.306524	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M-H"	-1.007276
"528531"	947.463424	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M-H"	-1.007276
"905241"	315.149624	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-H"	-1.007276
"55243"	648.333071	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M-2H+NH4"	16.019271
"495897"	964.489971	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M-2H+NH4"	16.019271
"877225"	332.176171	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-2H+NH4"	16.019271
"46466"	653.288466	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M-2H+Na"	20.974666
"485051"	969.445366	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M-2H+Na"	20.974666
"862240"	337.131566	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-2H+Na"	20.974666
"1628494"	337.131566	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Na-2H"	20.974666
"105019"	333.137963	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M-H+Cl"	33.962126
"544586"	491.216413	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M-H+Cl"	33.962126
"934823"	175.059513	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-H+Cl"	33.962126
"269008"	667.283202	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+Cl"	34.969402
"669084"	983.440102	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+Cl"	34.969402
"1282580"	351.126302	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Cl"	34.969402
"28419"	669.262406	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M-2H+K"	36.948606
"465790"	985.419306	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M-2H+K"	36.948606
"844686"	353.105506	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-2H+K"	36.948606
"1567081"	353.105506	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+K-2H"	36.948606
"949495"	361.155094	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-H+HCOOH"	44.998194
"369900"	677.312001	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+HCOOH-H"	44.998201
"355970"	691.327651	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+Hac-H"	59.013851
"1506262"	375.170751	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Hac-H"	59.013851
"971620"	383.137051	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-H+NaCOOH"	66.980151
"123806"	351.126302	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+2Cl"	69.938804
"565065"	509.204752	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+2Cl"	69.938804
"1035080"	193.047852	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2Cl"	69.938804
"1253565"	395.075785	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Br"	78.918885
"1306538"	397.131772	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Cl+HCOOH"	80.974872
"1328046"	419.113729	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Cl+NaCOOH"	102.956829
"922387"	429.142486	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M-H+CF3COOH"	112.985586
"1293629"	465.119164	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Cl+CF3COOH"	148.962264
"1371793"	281.144224	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H-2H2O"	-35.012676
"1387102"	299.1542	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H-H2O"	-17.0027
"288975"	633.321076	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+H"	1.007276
"684678"	949.477976	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+H"	1.007276
"1356652"	317.164176	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H"	1.007276
"138288"	317.164176	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+2H"	2.014552
"569829"	475.242626	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+2H"	2.014552
"1039723"	159.085726	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2H"	2.014552
"210178"	211.778542666667	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+3H"	3.021828
"650831"	317.164176	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+3H"	3.021828
"1173332"	106.392909333333	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+3H"	3.021828
"432233"	650.347623	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+NH4"	18.033823
"791041"	966.504523	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+NH4"	18.033823
"1689556"	334.190723	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+NH4"	18.033823
"334554"	325.6774495	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+H+NH4"	19.041099
"726981"	483.7558995	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+H+NH4"	19.041099
"1481892"	167.5989995	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H+NH4"	19.041099
"398388"	655.303018	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+Na"	22.989218
"763755"	971.459918	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+Na"	22.989218
"1605290"	339.146118	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Na"	22.989218
"319700"	328.155147	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+H+Na"	23.996494
"709204"	486.233597	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+H+Na"	23.996494
"1462904"	170.076697	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H+Na"	23.996494
"1053965"	113.720223333333	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2H+Na"	25.00377
"1259408"	349.190386	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+CH3OH+H"	33.033486
"379443"	671.276958	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+K"	38.963158
"739103"	987.433858	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+K"	38.963158
"1543584"	355.120058	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+K"	38.963158
"304044"	336.142117	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+H+K"	39.970434
"697561"	494.220567	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+H+K"	39.970434
"1456849"	178.063667	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H+K"	39.970434
"244358"	674.347626	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+ACN+H"	42.033826
"1222535"	358.190726	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+ACN+H"	42.033826
"1204235"	179.599001	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+ACN+2H"	43.041102
"198201"	677.28496	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+2Na-H"	44.97116
"641772"	993.44186	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+2Na-H"	44.97116
"1145280"	361.12806	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2Na-H"	44.97116
"183458"	339.146118	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+2Na"	45.978436
"626786"	497.224568	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+2Na"	45.978436
"1125432"	181.067668	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2Na"	45.978436
"1408958"	121.047537333333	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H+2Na"	46.985712
"1438889"	363.169646	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H+HCOOH"	47.012746
"229677"	344.17914	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+3H2O+2H"	56.04448
"1518833"	377.22169	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+IsoProp+H"	61.06479
"419615"	347.133088	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+Na+K"	61.952376
"779516"	505.211538	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+Na+K"	61.952376
"1668555"	189.054638	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Na+K"	61.952376
"257991"	696.329568	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+ACN+Na"	64.015768
"1231066"	380.172668	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+ACN+Na"	64.015768
"1716672"	380.196193	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+NH4+HCOOH"	64.039293
"1187134"	128.374851333333	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+3Na"	68.967654
"1657028"	385.151588	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Na+HCOOH"	68.994688
"163889"	709.23284	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+2K-H"	76.91904
"602357"	1025.38974	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+2K-H"	76.91904
"1089056"	393.07594	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2K-H"	76.91904
"142709"	355.120058	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"2M+2K"	77.926316
"585060"	513.198508	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"3M+2K"	77.926316
"1071035"	197.041608	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2K"	77.926316
"1105340"	395.090492	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2K+H"	78.933592
"1336507"	395.178107	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+DMSO+H"	79.021207
"1011355"	399.217276	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2ACN+H"	83.060376
"1528387"	400.210908	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+IsoProp+Na+H"	84.054008
"994836"	200.112276	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+2ACN+2H"	84.067652
"1589705"	401.125528	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+K+HCOOH"	84.968628
"1417185"	431.157038	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+H+CF3COOH"	115.000138
"1148565"	220.625551	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+3ACN+2H"	125.094202
"1705783"	448.183585	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+NH4+CF3COOH"	132.026685
"1643619"	453.13898	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+Na+CF3COOH"	136.98208
"1572709"	469.11292	"C07141"	"Timolol"	"C13H24N4O3S"	"316.1569"	"M+K+CF3COOH"	152.95602
"808544"	192.1263	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M"	0
"976608"	173.10791	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-H2O-H"	-19.01839
"65945"	127.076924	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M-3H"	-3.021828
"513164"	191.119024	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M-3H"	-3.021828
"886591"	63.034824	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-3H"	-3.021828
"12819"	191.119024	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M-2H"	-2.014552
"453474"	287.182174	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M-2H"	-2.014552
"822528"	95.055874	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-2H"	-2.014552
"91267"	383.245324	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M-H"	-1.007276
"528641"	575.371624	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M-H"	-1.007276
"905351"	191.119024	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-H"	-1.007276
"59727"	400.271871	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M-2H+NH4"	16.019271
"500381"	592.398171	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M-2H+NH4"	16.019271
"877089"	208.145571	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-2H+NH4"	16.019271
"46211"	405.227266	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M-2H+Na"	20.974666
"485407"	597.353566	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M-2H+Na"	20.974666
"862717"	213.100966	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-2H+Na"	20.974666
"1631763"	213.100966	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Na-2H"	20.974666
"105132"	209.107363	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M-H+Cl"	33.962126
"542509"	305.170513	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M-H+Cl"	33.962126
"932746"	113.044213	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-H+Cl"	33.962126
"267455"	419.222002	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+Cl"	34.969402
"665914"	611.348302	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+Cl"	34.969402
"1279410"	227.095702	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Cl"	34.969402
"23060"	421.201206	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M-2H+K"	36.948606
"463713"	613.327506	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M-2H+K"	36.948606
"842607"	229.074906	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-2H+K"	36.948606
"1565003"	229.074906	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+K-2H"	36.948606
"951791"	237.124494	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-H+HCOOH"	44.998194
"371102"	429.250801	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+HCOOH-H"	44.998201
"358268"	443.266451	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+Hac-H"	59.013851
"1506007"	251.140151	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Hac-H"	59.013851
"971730"	259.106451	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-H+NaCOOH"	66.980151
"124647"	227.095702	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+2Cl"	69.938804
"564933"	323.158852	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+2Cl"	69.938804
"1035190"	131.032552	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2Cl"	69.938804
"1256471"	271.045185	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Br"	78.918885
"1311752"	273.101172	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Cl+HCOOH"	80.974872
"1327063"	295.083129	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Cl+NaCOOH"	102.956829
"923590"	305.111886	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M-H+CF3COOH"	112.985586
"1293740"	341.088564	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Cl+CF3COOH"	148.962264
"1370810"	157.113624	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H-2H2O"	-35.012676
"1383932"	175.1236	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H-H2O"	-17.0027
"291272"	385.259876	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+H"	1.007276
"682602"	577.386176	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+H"	1.007276
"1357857"	193.133576	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H"	1.007276
"131839"	193.133576	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+2H"	2.014552
"572493"	289.196726	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+2H"	2.014552
"1040562"	97.070426	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2H"	2.014552
"210288"	129.091476	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+3H"	3.021828
"649848"	193.133576	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+3H"	3.021828
"1173442"	65.049376	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+3H"	3.021828
"430156"	402.286423	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+NH4"	18.033823
"791150"	594.412723	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+NH4"	18.033823
"1687479"	210.160123	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+NH4"	18.033823
"335758"	201.6468495	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+H+NH4"	19.041099
"727090"	297.7099995	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+H+NH4"	19.041099
"1484189"	105.5836995	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H+NH4"	19.041099
"395216"	407.241818	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+Na"	22.989218
"757305"	599.368118	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+Na"	22.989218
"1603575"	215.115518	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Na"	22.989218
"315799"	204.124547	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+H+Na"	23.996494
"710403"	300.187697	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+H+Na"	23.996494
"1462771"	108.061397	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H+Na"	23.996494
"1053829"	72.37669	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2H+Na"	25.00377
"1259881"	225.159786	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+CH3OH+H"	33.033486
"379187"	423.215758	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+K"	38.963158
"740549"	615.342058	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+K"	38.963158
"1542966"	231.089458	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+K"	38.963158
"303062"	212.111517	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+H+K"	39.970434
"697672"	308.174667	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+H+K"	39.970434
"1456959"	116.048367	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H+K"	39.970434
"246655"	426.286426	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+ACN+H"	42.033826
"1221552"	234.160126	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+ACN+H"	42.033826
"1208113"	117.583701	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+ACN+2H"	43.041102
"201229"	429.22376	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+2Na-H"	44.97116
"642612"	621.35006	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+2Na-H"	44.97116
"1145996"	237.09746	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2Na-H"	44.97116
"184663"	215.115518	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+2Na"	45.978436
"627141"	311.178668	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+2Na"	45.978436
"1125543"	119.052368	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2Na"	45.978436
"1409068"	79.704004	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H+2Na"	46.985712
"1440092"	239.139046	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H+HCOOH"	47.012746
"228694"	220.14854	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+3H2O+2H"	56.04448
"1518943"	253.19109	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+IsoProp+H"	61.06479
"417538"	223.102488	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+Na+K"	61.952376
"778533"	319.165638	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+Na+K"	61.952376
"1668301"	127.039338	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Na+K"	61.952376
"254456"	448.268368	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+ACN+Na"	64.015768
"1230082"	256.142068	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+ACN+Na"	64.015768
"1715688"	256.165593	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+NH4+HCOOH"	64.039293
"1182504"	87.031318	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+3Na"	68.967654
"1658232"	261.120988	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Na+HCOOH"	68.994688
"160719"	461.17164	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+2K-H"	76.91904
"599551"	653.29794	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+2K-H"	76.91904
"1089166"	269.04534	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2K-H"	76.91904
"147076"	231.089458	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"2M+2K"	77.926316
"586635"	327.152608	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"3M+2K"	77.926316
"1069080"	135.026308	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2K"	77.926316
"1104357"	271.059892	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2K+H"	78.933592
"1336855"	271.147507	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+DMSO+H"	79.021207
"1012558"	275.186676	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2ACN+H"	83.060376
"1524970"	276.180308	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+IsoProp+Na+H"	84.054008
"990813"	138.096976	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+2ACN+2H"	84.067652
"1591636"	277.094928	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+K+HCOOH"	84.968628
"1416202"	307.126438	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+H+CF3COOH"	115.000138
"1149040"	158.610251	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+3ACN+2H"	125.094202
"1705893"	324.152985	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+NH4+CF3COOH"	132.026685
"1643729"	329.10838	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+Na+CF3COOH"	136.98208
"1572455"	345.08232	"C07142"	"Tocainide"	"C11H16N2O"	"192.1263"	"M+K+CF3COOH"	152.95602
"808654"	386.1487	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M"	0
"977811"	367.13031	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-H2O-H"	-19.01839
"66055"	256.425190666667	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M-3H"	-3.021828
"514367"	385.141424	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M-3H"	-3.021828
"891075"	127.708957333333	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-3H"	-3.021828
"15446"	385.141424	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M-2H"	-2.014552
"453586"	578.215774	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M-2H"	-2.014552
"830900"	192.067074	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-2H"	-2.014552
"93081"	771.290124	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M-H"	-1.007276
"529846"	1157.438824	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M-H"	-1.007276
"907648"	385.141424	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-H"	-1.007276
"56555"	788.316671	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M-2H+NH4"	16.019271
"500128"	1174.465371	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M-2H+NH4"	16.019271
"878419"	402.167971	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-2H+NH4"	16.019271
"47082"	793.272066	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M-2H+Na"	20.974666
"487062"	1179.420766	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M-2H+Na"	20.974666
"861370"	407.123366	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-2H+Na"	20.974666
"1629808"	407.123366	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Na-2H"	20.974666
"105244"	403.129763	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M-H+Cl"	33.962126
"545900"	596.204113	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M-H+Cl"	33.962126
"937231"	210.055413	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-H+Cl"	33.962126
"274695"	807.266802	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+Cl"	34.969402
"660796"	1193.415502	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+Cl"	34.969402
"1274294"	421.118102	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Cl"	34.969402
"19890"	809.246006	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M-2H+K"	36.948606
"464920"	1195.394706	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M-2H+K"	36.948606
"845638"	423.097306	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-2H+K"	36.948606
"1568396"	423.097306	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+K-2H"	36.948606
"956279"	431.146894	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-H+HCOOH"	44.998194
"373404"	817.295601	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+HCOOH-H"	44.998201
"359473"	831.311251	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+Hac-H"	59.013851
"1506365"	445.162551	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Hac-H"	59.013851
"966007"	453.128851	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-H+NaCOOH"	66.980151
"122568"	421.118102	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+2Cl"	69.938804
"562127"	614.192452	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+2Cl"	69.938804
"1035305"	228.043752	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2Cl"	69.938804
"1253788"	465.067585	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Br"	78.918885
"1315142"	467.123572	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Cl+HCOOH"	80.974872
"1328270"	489.105529	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Cl+NaCOOH"	102.956829
"921515"	499.134286	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M-H+CF3COOH"	112.985586
"1290571"	535.110964	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Cl+CF3COOH"	148.962264
"1371284"	351.136024	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H-2H2O"	-35.012676
"1384041"	369.146	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H-H2O"	-17.0027
"291383"	773.304676	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+H"	1.007276
"682712"	1159.453376	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+H"	1.007276
"1359061"	387.155976	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H"	1.007276
"127940"	387.155976	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+2H"	2.014552
"569322"	580.230326	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+2H"	2.014552
"1038850"	194.081626	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2H"	2.014552
"210399"	258.439742666667	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+3H"	3.021828
"647769"	387.155976	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+3H"	3.021828
"1171367"	129.723509333333	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+3H"	3.021828
"430267"	790.331223	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+NH4"	18.033823
"790168"	1176.479923	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+NH4"	18.033823
"1688683"	404.182523	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+NH4"	18.033823
"333681"	395.6692495	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+H+NH4"	19.041099
"729385"	588.7435995	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+H+NH4"	19.041099
"1481017"	202.5948995	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H+NH4"	19.041099
"397511"	795.286618	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+Na"	22.989218
"754981"	1181.435318	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+Na"	22.989218
"1603198"	409.137918	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Na"	22.989218
"315421"	398.146947	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+H+Na"	23.996494
"707235"	591.221297	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+H+Na"	23.996494
"1462277"	205.072597	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H+Na"	23.996494
"1053211"	137.050823333333	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2H+Na"	25.00377
"1259992"	419.182186	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+CH3OH+H"	33.033486
"380026"	811.260558	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+K"	38.963158
"741754"	1197.409258	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+K"	38.963158
"1545995"	425.111858	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+K"	38.963158
"307547"	406.133917	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+H+K"	39.970434
"702157"	599.208267	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+H+K"	39.970434
"1457799"	213.059567	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H+K"	39.970434
"250414"	814.331226	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+ACN+H"	42.033826
"1224950"	428.182526	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+ACN+H"	42.033826
"1207736"	214.594901	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+ACN+2H"	43.041102
"203282"	817.26856	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+2Na-H"	44.97116
"643450"	1203.41726	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+2Na-H"	44.97116
"1146634"	431.11986	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2Na-H"	44.97116
"186960"	409.137918	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+2Na"	45.978436
"627614"	602.212268	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+2Na"	45.978436
"1129297"	216.063568	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2Na"	45.978436
"1409178"	144.378137333333	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H+2Na"	46.985712
"1440202"	433.161446	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H+HCOOH"	47.012746
"228804"	414.17094	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+3H2O+2H"	56.04448
"1519054"	447.21349	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+IsoProp+H"	61.06479
"416554"	417.124888	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+Na+K"	61.952376
"772080"	610.199238	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+Na+K"	61.952376
"1668775"	224.050538	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Na+K"	61.952376
"254931"	836.313168	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+ACN+Na"	64.015768
"1231288"	450.164468	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+ACN+Na"	64.015768
"1717627"	450.187993	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+NH4+HCOOH"	64.039293
"1181519"	151.705451333333	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+3Na"	68.967654
"1653968"	455.143388	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Na+HCOOH"	68.994688
"158517"	849.21644	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+2K-H"	76.91904
"604763"	1235.36514	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+2K-H"	76.91904
"1091463"	463.06774	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2K-H"	76.91904
"149372"	425.111858	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"2M+2K"	77.926316
"584558"	618.186208	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"3M+2K"	77.926316
"1070286"	232.037508	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2K"	77.926316
"1103375"	465.082292	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2K+H"	78.933592
"1336843"	465.169907	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+DMSO+H"	79.021207
"1009388"	469.209076	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2ACN+H"	83.060376
"1528607"	470.202708	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+IsoProp+Na+H"	84.054008
"991044"	235.108176	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+2ACN+2H"	84.067652
"1590652"	471.117328	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+K+HCOOH"	84.968628
"1417407"	501.148838	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+H+CF3COOH"	115.000138
"1148419"	255.621451	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+3ACN+2H"	125.094202
"1709281"	518.175385	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+NH4+CF3COOH"	132.026685
"1643839"	523.13078	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+Na+CF3COOH"	136.98208
"1572565"	539.10472	"C07143"	"Mesoridazine"	"C21H26N2OS2"	"386.1487"	"M+K+CF3COOH"	152.95602
"808764"	211.1208	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M"	0
"980110"	192.10241	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-H2O-H"	-19.01839
"74914"	139.739924	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M-3H"	-3.021828
"513384"	210.113524	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M-3H"	-3.021828
"893371"	69.366324	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-3H"	-3.021828
"14135"	210.113524	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M-2H"	-2.014552
"451508"	315.673924	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M-2H"	-2.014552
"821655"	104.553124	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-2H"	-2.014552
"88207"	421.234324	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M-H"	-1.007276
"528861"	632.355124	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M-H"	-1.007276
"905571"	210.113524	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-H"	-1.007276
"54478"	438.260871	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+NH4"	16.019271
"497318"	649.381671	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+NH4"	16.019271
"874026"	227.140071	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-2H+NH4"	16.019271
"41926"	443.216266	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+Na"	20.974666
"481488"	654.337066	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+Na"	20.974666
"858194"	232.095466	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-2H+Na"	20.974666
"1626637"	232.095466	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Na-2H"	20.974666
"105355"	228.101863	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M-H+Cl"	33.962126
"546010"	333.662263	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M-H+Cl"	33.962126
"935154"	122.541463	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-H+Cl"	33.962126
"271888"	457.211002	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+Cl"	34.969402
"663945"	668.331802	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+Cl"	34.969402
"1275616"	246.090202	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Cl"	34.969402
"18172"	459.190206	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+K"	36.948606
"463936"	670.311006	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+K"	36.948606
"845020"	248.069406	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-2H+K"	36.948606
"1566319"	248.069406	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+K-2H"	36.948606
"954203"	256.118994	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-H+HCOOH"	44.998194
"371328"	467.239801	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+HCOOH-H"	44.998201
"360315"	481.255451	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+Hac-H"	59.013851
"1507325"	270.134651	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Hac-H"	59.013851
"969396"	278.100951	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-H+NaCOOH"	66.980151
"116116"	246.090202	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+2Cl"	69.938804
"562237"	351.650602	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+2Cl"	69.938804
"1029946"	140.529802	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2Cl"	69.938804
"1250619"	290.039685	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Br"	78.918885
"1313068"	292.095672	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+HCOOH"	80.974872
"1327651"	314.077629	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+NaCOOH"	102.956829
"919437"	324.106386	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M-H+CF3COOH"	112.985586
"1295058"	360.083064	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+CF3COOH"	148.962264
"1376500"	176.108124	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H-2H2O"	-35.012676
"1389621"	194.1181	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H-H2O"	-17.0027
"286392"	423.248876	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+H"	1.007276
"681731"	634.369676	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+H"	1.007276
"1354796"	212.128076	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H"	1.007276
"127684"	212.128076	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+2H"	2.014552
"566880"	317.688476	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+2H"	2.014552
"1038595"	106.567676	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2H"	2.014552
"208687"	141.754476	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+3H"	3.021828
"651165"	212.128076	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+3H"	3.021828
"1168200"	71.380876	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+3H"	3.021828
"429284"	440.275423	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+NH4"	18.033823
"791371"	651.396223	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+NH4"	18.033823
"1685515"	229.154623	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+NH4"	18.033823
"334887"	220.6413495	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+H+NH4"	19.041099
"727306"	326.2017495	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+H+NH4"	19.041099
"1480034"	115.0809495	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H+NH4"	19.041099
"397620"	445.230818	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+Na"	22.989218
"757525"	656.351618	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+Na"	22.989218
"1607807"	234.110018	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Na"	22.989218
"314920"	223.119047	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+H+Na"	23.996494
"707468"	328.679447	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+H+Na"	23.996494
"1462145"	117.558647	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H+Na"	23.996494
"1054050"	78.70819	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2H+Na"	25.00377
"1260104"	244.154286	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+CH3OH+H"	33.033486
"380866"	461.204758	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+K"	38.963158
"741134"	672.325558	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+K"	38.963158
"1551575"	250.083958	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+K"	38.963158
"313125"	231.106017	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+H+K"	39.970434
"706277"	336.666417	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+H+K"	39.970434
"1460586"	125.545617	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H+K"	39.970434
"251304"	464.275426	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+ACN+H"	42.033826
"1225541"	253.154626	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+H"	42.033826
"1209828"	127.080951	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+2H"	43.041102
"204167"	467.21276	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+2Na-H"	44.97116
"643978"	678.33356	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+2Na-H"	44.97116
"1146830"	256.09196	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2Na-H"	44.97116
"188466"	234.110018	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+2Na"	45.978436
"627847"	339.670418	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+2Na"	45.978436
"1126856"	128.549618	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2Na"	45.978436
"1410381"	86.035504	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H+2Na"	46.985712
"1440312"	258.133546	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H+HCOOH"	47.012746
"228914"	239.14304	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+3H2O+2H"	56.04448
"1516974"	272.18559	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+H"	61.06479
"414112"	242.096988	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+Na+K"	61.952376
"773284"	347.657388	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+Na+K"	61.952376
"1671801"	136.536588	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Na+K"	61.952376
"257230"	486.257368	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+ACN+Na"	64.015768
"1229212"	275.136568	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+Na"	64.015768
"1721017"	275.160093	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+NH4+HCOOH"	64.039293
"1184184"	93.362818	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+3Na"	68.967654
"1654078"	280.115488	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Na+HCOOH"	68.994688
"158995"	499.16064	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+2K-H"	76.91904
"601593"	710.28144	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+2K-H"	76.91904
"1091573"	288.03984	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2K-H"	76.91904
"149482"	250.083958	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"2M+2K"	77.926316
"583574"	355.644358	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"3M+2K"	77.926316
"1070152"	144.523558	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2K"	77.926316
"1100277"	290.054392	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2K+H"	78.933592
"1336708"	290.142007	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+DMSO+H"	79.021207
"1007307"	294.181176	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2ACN+H"	83.060376
"1529810"	295.174808	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+Na+H"	84.054008
"992246"	147.594226	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+2ACN+2H"	84.067652
"1590761"	296.089428	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+K+HCOOH"	84.968628
"1416423"	326.120938	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+H+CF3COOH"	115.000138
"1148897"	168.107501	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+3ACN+2H"	125.094202
"1709391"	343.147485	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+NH4+CF3COOH"	132.026685
"1643950"	348.10288	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+Na+CF3COOH"	136.98208
"1578508"	364.07682	"C07144"	"Metaproterenol;Orciprenaline"	"C11H17NO3"	"211.1208"	"M+K+CF3COOH"	152.95602
"805594"	167.0946	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M"	0
"980220"	148.07621	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"68462"	110.389124	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"512399"	166.087324	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"886920"	54.690924	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"10964"	166.087324	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"452710"	249.634624	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"822859"	82.540024	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"88317"	333.181924	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"526784"	500.276524	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"906776"	166.087324	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"56775"	350.208471	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"500709"	517.303071	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"871951"	183.113871	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"42036"	355.163866	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"481600"	522.258466	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"859399"	188.069266	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1625654"	188.069266	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"104372"	184.075663	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"543934"	267.622963	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"933077"	100.528363	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"269811"	369.158602	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"666243"	536.253202	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1273905"	202.064002	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"17195"	371.137806	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"466235"	538.232406	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"844037"	204.043206	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1565335"	204.043206	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"955408"	212.092794	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"369250"	379.187401	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"358966"	393.203051	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1504518"	226.108451	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"968778"	234.074751	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"115133"	202.064002	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"562347"	285.611302	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1026777"	118.516702	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1249636"	246.013485	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1315363"	248.069472	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1326299"	270.051429	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"918452"	280.080186	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1295166"	316.056864	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1377339"	132.081924	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1388637"	150.0919	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"288324"	335.196476	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"681841"	502.291076	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1356000"	168.101876	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"128888"	168.101876	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"569543"	251.649176	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1039799"	84.554576	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"208797"	112.403676	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"651275"	168.101876	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1171590"	56.705476	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"432672"	352.223023	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"791481"	519.317623	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1683800"	185.128423	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"331106"	176.6151495	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"726321"	260.1624495	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1482329"	93.0678495	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"397729"	357.178418	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"758726"	524.273018	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1607917"	190.083818	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"316130"	179.092847	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"707458"	262.640147	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1461886"	95.545547	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1053674"	64.03279	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1258512"	200.128086	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"380976"	373.152358	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"741244"	540.246958	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1550590"	206.057758	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"311049"	187.079817	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"703470"	270.627117	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1460207"	103.532517	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"251167"	376.223026	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1225255"	209.128426	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1209296"	105.067851	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"203989"	379.16036	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"642333"	546.25496	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1146935"	212.06576	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"188522"	190.083818	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"627713"	273.631118	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1125873"	106.536518	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1406118"	71.360104	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1433495"	214.107346	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"225742"	195.11684	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1518177"	228.15939	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"412765"	198.070788	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"774491"	281.618088	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1669725"	114.523488	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"255882"	398.204968	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1227864"	231.110368	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1720034"	231.133893	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1185388"	78.687418	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1654188"	236.089288	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"159957"	411.10824	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"604984"	578.20284	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1091683"	244.01364	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"149592"	206.057758	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"583684"	289.605058	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1069898"	122.510458	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1100431"	246.028192	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1337306"	246.115807	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1007417"	250.154976	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1526638"	251.148608	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"990771"	125.581126	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1590142"	252.063228	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1415799"	282.094738	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1149372"	146.094401	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1699660"	299.121285	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1644059"	304.07668	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1578618"	320.05062	"C07146"	"Metaraminol"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"812265"	160.1	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M"	0
"985798"	141.08161	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-H2O-H"	-19.01839
"68573"	105.726057333333	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M-3H"	-3.021828
"510324"	159.092724	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M-3H"	-3.021828
"888124"	52.3593906666667	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-3H"	-3.021828
"6701"	159.092724	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M-2H"	-2.014552
"449540"	239.142724	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M-2H"	-2.014552
"821875"	79.042724	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-2H"	-2.014552
"88427"	319.192724	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M-H"	-1.007276
"526893"	479.292724	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M-H"	-1.007276
"907978"	159.092724	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-H"	-1.007276
"55791"	336.219271	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M-2H+NH4"	16.019271
"496445"	496.319271	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M-2H+NH4"	16.019271
"876435"	176.119271	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-2H+NH4"	16.019271
"39958"	341.174666	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M-2H+Na"	20.974666
"481710"	501.274666	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M-2H+Na"	20.974666
"858416"	181.074666	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-2H+Na"	20.974666
"1624671"	181.074666	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Na-2H"	20.974666
"104483"	177.081063	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M-H+Cl"	33.962126
"544044"	257.131063	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M-H+Cl"	33.962126
"935374"	97.031063	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-H+Cl"	33.962126
"267409"	355.169402	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+Cl"	34.969402
"663073"	515.269402	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+Cl"	34.969402
"1273045"	195.069402	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Cl"	34.969402
"20221"	357.148606	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M-2H+K"	36.948606
"466345"	517.248606	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M-2H+K"	36.948606
"844148"	197.048606	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-2H+K"	36.948606
"1564352"	197.048606	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+K-2H"	36.948606
"956611"	205.098194	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-H+HCOOH"	44.998194
"372640"	365.198201	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+HCOOH-H"	44.998201
"358712"	379.213851	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+Hac-H"	59.013851
"1506086"	219.113851	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Hac-H"	59.013851
"966337"	227.080151	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-H+NaCOOH"	66.980151
"112327"	195.069402	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+2Cl"	69.938804
"558084"	275.119402	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+2Cl"	69.938804
"1032354"	115.019402	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2Cl"	69.938804
"1254849"	239.018885	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Br"	78.918885
"1315473"	241.074872	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Cl+HCOOH"	80.974872
"1325316"	263.056829	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Cl+NaCOOH"	102.956829
"918562"	273.085586	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M-H+CF3COOH"	112.985586
"1293453"	309.062264	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Cl+CF3COOH"	148.962264
"1375626"	125.087324	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H-2H2O"	-35.012676
"1389841"	143.0973	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H-H2O"	-17.0027
"288435"	321.207276	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+H"	1.007276
"684138"	481.307276	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+H"	1.007276
"1357205"	161.107276	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H"	1.007276
"128999"	161.107276	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+2H"	2.014552
"569653"	241.157276	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+2H"	2.014552
"1038209"	81.057276	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2H"	2.014552
"211823"	107.740609333333	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+3H"	3.021828
"652479"	161.107276	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+3H"	3.021828
"1171700"	54.3739426666667	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+3H"	3.021828
"431690"	338.233823	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+NH4"	18.033823
"790496"	498.333823	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+NH4"	18.033823
"1683546"	178.133823	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+NH4"	18.033823
"332189"	169.6205495	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+H+NH4"	19.041099
"728619"	249.6705495	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+H+NH4"	19.041099
"1480253"	89.5705495	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H+NH4"	19.041099
"400027"	343.189218	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+Na"	22.989218
"755558"	503.289218	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+Na"	22.989218
"1610213"	183.089218	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Na"	22.989218
"320249"	172.098247	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+H+Na"	23.996494
"707812"	252.148247	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+H+Na"	23.996494
"1461792"	92.048247	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H+Na"	23.996494
"1053259"	61.7012566666667	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2H+Na"	25.00377
"1257446"	193.133486	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+CH3OH+H"	33.033486
"377804"	359.163158	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+K"	38.963158
"744271"	519.263158	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+K"	38.963158
"1549606"	199.063158	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+K"	38.963158
"310066"	180.085217	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+H+K"	39.970434
"702487"	260.135217	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+H+K"	39.970434
"1460321"	100.035217	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H+K"	39.970434
"251238"	362.233826	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+ACN+H"	42.033826
"1225553"	202.133826	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+ACN+H"	42.033826
"1209407"	101.570551	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+ACN+2H"	43.041102
"203736"	365.17116	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+2Na-H"	44.97116
"642566"	525.27116	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+2Na-H"	44.97116
"1146559"	205.07116	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2Na-H"	44.97116
"188408"	183.089218	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+2Na"	45.978436
"626974"	263.139218	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+2Na"	45.978436
"1125983"	103.039218	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2Na"	45.978436
"1409508"	69.0285706666667	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H+2Na"	46.985712
"1436157"	207.112746	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H+HCOOH"	47.012746
"225852"	188.12224	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+3H2O+2H"	56.04448
"1513913"	221.16479	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+IsoProp+H"	61.06479
"412511"	191.076188	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+Na+K"	61.952376
"775694"	271.126188	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+Na+K"	61.952376
"1670930"	111.026188	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Na+K"	61.952376
"256357"	384.215768	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+ACN+Na"	64.015768
"1230162"	224.115768	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+ACN+Na"	64.015768
"1720873"	224.139293	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+NH4+HCOOH"	64.039293
"1185498"	76.3558846666667	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+3Na"	68.967654
"1657576"	229.094688	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Na+HCOOH"	68.994688
"160067"	397.11904	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+2K-H"	76.91904
"599627"	557.21904	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+2K-H"	76.91904
"1091429"	237.01904	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2K-H"	76.91904
"149338"	199.063158	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"2M+2K"	77.926316
"584887"	279.113158	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"3M+2K"	77.926316
"1072684"	119.013158	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2K"	77.926316
"1101030"	239.033592	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2K+H"	78.933592
"1340091"	239.121207	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+DMSO+H"	79.021207
"1007527"	243.160376	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2ACN+H"	83.060376
"1524679"	244.154008	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+IsoProp+Na+H"	84.054008
"991736"	122.083826	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+2ACN+2H"	84.067652
"1587940"	245.068628	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+K+HCOOH"	84.968628
"1414450"	275.100138	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+H+CF3COOH"	115.000138
"1149116"	142.597101	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+3ACN+2H"	125.094202
"1709611"	292.126685	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+NH4+CF3COOH"	132.026685
"1640889"	297.08208	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+Na+CF3COOH"	136.98208
"1578728"	313.05602	"C07147"	"Tolazoline;45-Dihydro-2-(phenylmethyl)-1H-imidazole"	"C10H12N2"	"160.1"	"M+K+CF3COOH"	152.95602
"809094"	270.1038	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M"	0
"985908"	251.08541	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-H2O-H"	-19.01839
"74882"	179.061924	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M-3H"	-3.021828
"515172"	269.096524	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M-3H"	-3.021828
"889327"	89.027324	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-3H"	-3.021828
"10092"	269.096524	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M-2H"	-2.014552
"451839"	404.148424	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M-2H"	-2.014552
"825265"	134.044624	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-2H"	-2.014552
"92429"	539.200324	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M-H"	-1.007276
"528098"	809.304124	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M-H"	-1.007276
"903714"	269.096524	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-H"	-1.007276
"54808"	556.226871	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M-2H+NH4"	16.019271
"497648"	826.330671	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M-2H+NH4"	16.019271
"872173"	286.123071	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-2H+NH4"	16.019271
"38980"	561.182266	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M-2H+Na"	20.974666
"478539"	831.286066	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M-2H+Na"	20.974666
"855250"	291.078466	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-2H+Na"	20.974666
"1625878"	291.078466	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Na-2H"	20.974666
"105687"	287.084863	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M-H+Cl"	33.962126
"549016"	422.136763	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M-H+Cl"	33.962126
"940954"	152.032963	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-H+Cl"	33.962126
"272950"	575.177002	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+Cl"	34.969402
"666465"	845.280802	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+Cl"	34.969402
"1274496"	305.073202	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Cl"	34.969402
"23615"	577.156206	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M-2H+K"	36.948606
"462083"	847.260006	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M-2H+K"	36.948606
"838793"	307.052406	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-2H+K"	36.948606
"1567018"	307.052406	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+K-2H"	36.948606
"954901"	315.101994	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-H+HCOOH"	44.998194
"368375"	585.205801	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+HCOOH-H"	44.998201
"348977"	599.221451	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+Hac-H"	59.013851
"1498906"	329.117651	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Hac-H"	59.013851
"967539"	337.083951	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-H+NaCOOH"	66.980151
"117541"	305.073202	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+2Cl"	69.938804
"561476"	440.125102	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+2Cl"	69.938804
"1030277"	170.021302	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2Cl"	69.938804
"1244390"	349.022685	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Br"	78.918885
"1309023"	351.078672	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Cl+HCOOH"	80.974872
"1327614"	373.060629	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Cl+NaCOOH"	102.956829
"919768"	383.089386	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M-H+CF3COOH"	112.985586
"1295386"	419.066064	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Cl+CF3COOH"	148.962264
"1370266"	235.091124	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H-2H2O"	-35.012676
"1388859"	253.1011	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H-H2O"	-17.0027
"286359"	541.214876	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+H"	1.007276
"679871"	811.318676	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+H"	1.007276
"1352939"	271.111076	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H"	1.007276
"130203"	271.111076	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+2H"	2.014552
"571953"	406.162976	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+2H"	2.014552
"1046951"	136.059176	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2H"	2.014552
"213029"	181.076476	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+3H"	3.021828
"652590"	271.111076	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+3H"	3.021828
"1166346"	91.041876	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+3H"	3.021828
"427431"	558.241423	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+NH4"	18.033823
"788424"	828.345223	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+NH4"	18.033823
"1686940"	288.137623	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+NH4"	18.033823
"340683"	279.6243495	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+H+NH4"	19.041099
"727638"	414.6762495	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+H+NH4"	19.041099
"1481458"	144.5724495	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H+NH4"	19.041099
"394671"	563.196818	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+Na"	22.989218
"754938"	833.300618	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+Na"	22.989218
"1610325"	293.093018	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Na"	22.989218
"322549"	282.102047	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+H+Na"	23.996494
"711690"	417.153947	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+H+Na"	23.996494
"1463324"	147.050147	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H+Na"	23.996494
"1056570"	98.36919	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2H+Na"	25.00377
"1262622"	303.137286	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+CH3OH+H"	33.033486
"386304"	579.170758	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+K"	38.963158
"746570"	849.274558	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+K"	38.963158
"1548625"	309.066958	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+K"	38.963158
"313459"	290.089017	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+H+K"	39.970434
"701140"	425.140917	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+H+K"	39.970434
"1460554"	155.037117	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H+K"	39.970434
"250861"	582.241426	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+ACN+H"	42.033826
"1224548"	312.137626	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+ACN+H"	42.033826
"1208797"	156.572451	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+ACN+2H"	43.041102
"202754"	585.17876	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+2Na-H"	44.97116
"642322"	855.28256	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+2Na-H"	44.97116
"1146066"	315.07496	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2Na-H"	44.97116
"186311"	293.093018	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+2Na"	45.978436
"627090"	428.144918	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+2Na"	45.978436
"1128649"	158.041118	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2Na"	45.978436
"1411080"	105.696504	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H+2Na"	46.985712
"1440642"	317.116546	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H+HCOOH"	47.012746
"230704"	298.12604	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+3H2O+2H"	56.04448
"1517306"	331.16859	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+IsoProp+H"	61.06479
"413714"	301.079988	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+Na+K"	61.952376
"776897"	436.131888	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+Na+K"	61.952376
"1669581"	166.028088	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Na+K"	61.952376
"258655"	604.223368	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+ACN+Na"	64.015768
"1231366"	334.119568	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+ACN+Na"	64.015768
"1722077"	334.143093	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+NH4+HCOOH"	64.039293
"1188162"	113.023818	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+3Na"	68.967654
"1656594"	339.098488	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Na+HCOOH"	68.994688
"166374"	617.12664	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+2K-H"	76.91904
"608486"	887.23044	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+2K-H"	76.91904
"1091174"	347.02284	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2K-H"	76.91904
"150178"	309.066958	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"2M+2K"	77.926316
"584999"	444.118858	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"3M+2K"	77.926316
"1074981"	174.015058	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2K"	77.926316
"1103816"	349.037392	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2K+H"	78.933592
"1338380"	349.125007	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+DMSO+H"	79.021207
"1006300"	353.164176	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2ACN+H"	83.060376
"1524342"	354.157808	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+IsoProp+Na+H"	84.054008
"991483"	177.085726	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+2ACN+2H"	84.067652
"1588170"	355.072428	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+K+HCOOH"	84.968628
"1416022"	385.103938	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+H+CF3COOH"	115.000138
"1147769"	197.599001	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+3ACN+2H"	125.094202
"1698783"	402.130485	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+NH4+CF3COOH"	132.026685
"1642090"	407.08588	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+Na+CF3COOH"	136.98208
"1573368"	423.05982	"C07148"	"Tolbutamide"	"C12H18N2O3S"	"270.1038"	"M+K+CF3COOH"	152.95602
"809204"	257.1052	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M"	0
"979457"	238.08681	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-H2O-H"	-19.01839
"69886"	170.396190666667	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M-3H"	-3.021828
"512729"	256.097924	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M-3H"	-3.021828
"892718"	84.6944573333333	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-3H"	-3.021828
"9107"	256.097924	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M-2H"	-2.014552
"445389"	384.650524	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M-2H"	-2.014552
"822095"	127.545324	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-2H"	-2.014552
"85367"	513.203124	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M-H"	-1.007276
"527111"	770.308324	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M-H"	-1.007276
"902729"	256.097924	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-H"	-1.007276
"58195"	530.229671	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M-2H+NH4"	16.019271
"499942"	787.334871	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M-2H+NH4"	16.019271
"874467"	273.124471	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-2H+NH4"	16.019271
"43460"	535.185066	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M-2H+Na"	20.974666
"480833"	792.290266	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M-2H+Na"	20.974666
"856450"	278.079866	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-2H+Na"	20.974666
"1623433"	278.079866	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Na-2H"	20.974666
"107984"	274.086263	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M-H+Cl"	33.962126
"543170"	402.638863	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M-H+Cl"	33.962126
"938875"	145.533663	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-H+Cl"	33.962126
"276338"	549.179802	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+Cl"	34.969402
"661227"	806.285002	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+Cl"	34.969402
"1272937"	292.074602	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Cl"	34.969402
"20444"	551.159006	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M-2H+K"	36.948606
"466566"	808.264206	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M-2H+K"	36.948606
"846554"	294.053806	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-2H+K"	36.948606
"1564574"	294.053806	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+K-2H"	36.948606
"950269"	302.103394	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-H+HCOOH"	44.998194
"368484"	559.208601	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+HCOOH-H"	44.998201
"354555"	573.224251	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+Hac-H"	59.013851
"1502296"	316.119051	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Hac-H"	59.013851
"965463"	324.085351	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-H+NaCOOH"	66.980151
"123121"	292.074602	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+2Cl"	69.938804
"564503"	420.627202	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+2Cl"	69.938804
"1030386"	163.522002	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2Cl"	69.938804
"1245592"	336.024085	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Br"	78.918885
"1316787"	338.080072	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Cl+HCOOH"	80.974872
"1323348"	360.062029	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Cl+NaCOOH"	102.956829
"919875"	370.090786	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M-H+CF3COOH"	112.985586
"1293309"	406.067464	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Cl+CF3COOH"	148.962264
"1374751"	222.092524	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H-2H2O"	-35.012676
"1386782"	240.1025	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H-H2O"	-17.0027
"287564"	515.217676	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+H"	1.007276
"677551"	772.322876	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+H"	1.007276
"1353779"	258.112476	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H"	1.007276
"127395"	258.112476	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+2H"	2.014552
"570970"	386.665076	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+2H"	2.014552
"1047424"	129.559876	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2H"	2.014552
"212047"	172.410742666667	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+3H"	3.021828
"654889"	258.112476	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+3H"	3.021828
"1165363"	86.7090093333334	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+3H"	3.021828
"428632"	532.244223	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+NH4"	18.033823
"789627"	789.349423	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+NH4"	18.033823
"1684865"	275.139023	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+NH4"	18.033823
"338608"	266.6257495	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+H+NH4"	19.041099
"729935"	395.1783495	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+H+NH4"	19.041099
"1483755"	138.0731495	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H+NH4"	19.041099
"398062"	537.199618	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+Na"	22.989218
"761248"	794.304818	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+Na"	22.989218
"1614811"	280.094418	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Na"	22.989218
"327767"	269.103447	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+H+Na"	23.996494
"715082"	397.656047	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+H+Na"	23.996494
"1465622"	140.550847	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H+Na"	23.996494
"1062150"	94.0363233333333	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2H+Na"	25.00377
"1267109"	290.138686	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+CH3OH+H"	33.033486
"386778"	553.173558	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+K"	38.963158
"752514"	810.278758	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+K"	38.963158
"1553476"	296.068358	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+K"	38.963158
"310652"	277.090417	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+H+K"	39.970434
"701251"	405.643017	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+H+K"	39.970434
"1461120"	148.537817	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H+K"	39.970434
"251216"	556.244226	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+ACN+H"	42.033826
"1225143"	299.139026	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+ACN+H"	42.033826
"1209264"	150.073151	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+ACN+2H"	43.041102
"203472"	559.18156	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+2Na-H"	44.97116
"642545"	816.28676	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+2Na-H"	44.97116
"1146294"	302.07636	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2Na-H"	44.97116
"186059"	280.094418	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+2Na"	45.978436
"625982"	408.647018	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+2Na"	45.978436
"1128759"	151.541818	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2Na"	45.978436
"1408634"	101.363637333333	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H+2Na"	46.985712
"1440388"	304.117946	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H+HCOOH"	47.012746
"230814"	285.12744	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+3H2O+2H"	56.04448
"1515230"	318.16999	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+IsoProp+H"	61.06479
"421118"	288.081388	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+Na+K"	61.952376
"782478"	416.633988	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+Na+K"	61.952376
"1674432"	159.528788	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Na+K"	61.952376
"263508"	578.226168	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+ACN+Na"	64.015768
"1235852"	321.120968	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+ACN+Na"	64.015768
"1722916"	321.144493	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+NH4+HCOOH"	64.039293
"1188273"	108.690951333333	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+3Na"	68.967654
"1661810"	326.099888	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Na+HCOOH"	68.994688
"165751"	591.12944	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+2K-H"	76.91904
"606405"	848.23464	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+2K-H"	76.91904
"1087636"	334.02424	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2K-H"	76.91904
"149920"	296.068358	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"2M+2K"	77.926316
"585111"	424.620958	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"3M+2K"	77.926316
"1076185"	167.515758	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2K"	77.926316
"1103926"	336.038792	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2K+H"	78.933592
"1338489"	336.126407	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+DMSO+H"	79.021207
"1006289"	340.165576	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2ACN+H"	83.060376
"1525752"	341.159208	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+IsoProp+Na+H"	84.054008
"990618"	170.586426	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+2ACN+2H"	84.067652
"1587184"	342.073828	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+K+HCOOH"	84.968628
"1414790"	372.105338	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+H+CF3COOH"	115.000138
"1147878"	191.099701	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+3ACN+2H"	125.094202
"1698893"	389.131885	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+NH4+CF3COOH"	132.026685
"1642200"	394.08728	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+Na+CF3COOH"	136.98208
"1572020"	410.06122	"C07149"	"Tolmetin"	"C15H15NO3"	"257.1052"	"M+K+CF3COOH"	152.95602
"801576"	129.1014	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M"	0
"976649"	110.08301	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-H2O-H"	-19.01839
"64893"	85.060324	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M-3H"	-3.021828
"515029"	128.094124	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M-3H"	-3.021828
"889550"	42.026524	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-3H"	-3.021828
"3749"	128.094124	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M-2H"	-2.014552
"444402"	192.644824	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M-2H"	-2.014552
"819651"	63.543424	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-2H"	-2.014552
"81100"	257.195524	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M-H"	-1.007276
"523940"	386.296924	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M-H"	-1.007276
"900648"	128.094124	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-H"	-1.007276
"56117"	274.222071	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M-2H+NH4"	16.019271
"493493"	403.323471	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M-2H+NH4"	16.019271
"868010"	145.120671	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-2H+NH4"	16.019271
"40290"	279.177466	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M-2H+Na"	20.974666
"478759"	408.278866	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M-2H+Na"	20.974666
"856562"	150.076066	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-2H+Na"	20.974666
"1627190"	150.076066	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Na-2H"	20.974666
"105907"	146.082463	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M-H+Cl"	33.962126
"542191"	210.633163	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M-H+Cl"	33.962126
"931331"	81.531763	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-H+Cl"	33.962126
"269159"	293.172202	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+Cl"	34.969402
"661090"	422.273602	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+Cl"	34.969402
"1274590"	164.070802	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Cl"	34.969402
"18364"	295.151406	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M-2H+K"	36.948606
"458285"	424.252806	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M-2H+K"	36.948606
"836818"	166.050006	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-2H+K"	36.948606
"1566871"	166.050006	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+K-2H"	36.948606
"956941"	174.099594	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-H+HCOOH"	44.998194
"375156"	303.201001	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+HCOOH-H"	44.998201
"356853"	317.216651	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+Hac-H"	59.013851
"1502407"	188.115251	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Hac-H"	59.013851
"968854"	196.081551	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-H+NaCOOH"	66.980151
"124324"	164.070802	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+2Cl"	69.938804
"562793"	228.621502	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+2Cl"	69.938804
"1033778"	99.520102	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2Cl"	69.938804
"1248984"	208.020285	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Br"	78.918885
"1312522"	210.076272	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Cl+HCOOH"	80.974872
"1325648"	232.058229	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Cl+NaCOOH"	102.956829
"914521"	242.086986	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M-H+CF3COOH"	112.985586
"1293420"	278.063664	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Cl+CF3COOH"	148.962264
"1367815"	94.088724	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H-2H2O"	-35.012676
"1390175"	112.0987	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H-H2O"	-17.0027
"284754"	259.210076	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+H"	1.007276
"678999"	388.311476	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+H"	1.007276
"1354254"	130.108676	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H"	1.007276
"129329"	130.108676	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+2H"	2.014552
"572905"	194.659376	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+2H"	2.014552
"1043161"	65.557976	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2H"	2.014552
"214345"	87.074876	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+3H"	3.021828
"650627"	130.108676	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+3H"	3.021828
"1164377"	44.041076	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+3H"	3.021828
"429833"	276.236623	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+NH4"	18.033823
"789736"	405.338023	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+NH4"	18.033823
"1691533"	147.135223	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+NH4"	18.033823
"334346"	138.6219495	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+H+NH4"	19.041099
"726766"	203.1726495	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+H+NH4"	19.041099
"1483868"	74.0712495	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H+NH4"	19.041099
"401457"	281.192018	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+Na"	22.989218
"762452"	410.293418	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+Na"	22.989218
"1615651"	152.090618	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Na"	22.989218
"320585"	141.099647	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+H+Na"	23.996494
"714101"	205.650347	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+H+Na"	23.996494
"1464640"	76.548947	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H+Na"	23.996494
"1061167"	51.36839	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2H+Na"	25.00377
"1266126"	162.134886	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+CH3OH+H"	33.033486
"391262"	297.165958	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+K"	38.963158
"746794"	426.267358	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+K"	38.963158
"1552127"	168.064558	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+K"	38.963158
"311125"	149.086617	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+H+K"	39.970434
"706099"	213.637317	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+H+K"	39.970434
"1460737"	84.535917	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H+K"	39.970434
"251168"	300.236626	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+ACN+H"	42.033826
"1225012"	171.135226	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+ACN+H"	42.033826
"1209380"	86.071251	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+ACN+2H"	43.041102
"203711"	303.17396	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+2Na-H"	44.97116
"642656"	432.27536	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+2Na-H"	44.97116
"1145432"	174.07256	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2Na-H"	44.97116
"186168"	152.090618	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+2Na"	45.978436
"627917"	216.641318	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+2Na"	45.978436
"1128504"	87.539918	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2Na"	45.978436
"1410931"	58.695704	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H+2Na"	46.985712
"1444879"	176.114146	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H+HCOOH"	47.012746
"234209"	157.12364	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+3H2O+2H"	56.04448
"1515340"	190.16619	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+IsoProp+H"	61.06479
"419038"	160.077588	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+Na+K"	61.952376
"780034"	224.628288	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+Na+K"	61.952376
"1673450"	95.526888	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Na+K"	61.952376
"261794"	322.218568	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+ACN+Na"	64.015768
"1235962"	193.117168	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+ACN+Na"	64.015768
"1723755"	193.140693	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+NH4+HCOOH"	64.039293
"1190935"	66.023018	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+3Na"	68.967654
"1659005"	198.096088	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Na+HCOOH"	68.994688
"166957"	335.12184	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+2K-H"	76.91904
"608704"	464.22324	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+2K-H"	76.91904
"1092123"	206.02044	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2K-H"	76.91904
"143473"	168.064558	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"2M+2K"	77.926316
"591783"	232.615258	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"3M+2K"	77.926316
"1075203"	103.513858	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2K"	77.926316
"1104037"	208.034992	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2K+H"	78.933592
"1342611"	208.122607	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+DMSO+H"	79.021207
"1008590"	212.161776	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2ACN+H"	83.060376
"1531454"	213.155408	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+IsoProp+Na+H"	84.054008
"989971"	106.584526	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+2ACN+2H"	84.067652
"1587135"	214.070028	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+K+HCOOH"	84.968628
"1414207"	244.101538	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+H+CF3COOH"	115.000138
"1147087"	127.097801	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+3ACN+2H"	125.094202
"1699003"	261.128085	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+NH4+CF3COOH"	132.026685
"1644497"	266.08348	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+Na+CF3COOH"	136.98208
"1572497"	282.05742	"C07151"	"Metformin"	"C4H11N5"	"129.1014"	"M+K+CF3COOH"	152.95602
"801398"	263.1885	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M"	0
"975299"	244.17011	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-H2O-H"	-19.01839
"70108"	174.451724	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M-3H"	-3.021828
"515138"	262.181224	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M-3H"	-3.021828
"887475"	86.722224	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-3H"	-3.021828
"3860"	262.181224	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M-2H"	-2.014552
"443419"	393.775474	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M-2H"	-2.014552
"820126"	130.586974	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-2H"	-2.014552
"85584"	525.369724	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M-H"	-1.007276
"525144"	788.558224	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M-H"	-1.007276
"902945"	262.181224	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-H"	-1.007276
"57322"	542.396271	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M-2H+NH4"	16.019271
"492509"	805.584771	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M-2H+NH4"	16.019271
"873592"	279.207771	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-2H+NH4"	16.019271
"39309"	547.351666	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M-2H+Na"	20.974666
"479962"	810.540166	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M-2H+Na"	20.974666
"856675"	284.163166	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-2H+Na"	20.974666
"1624022"	284.163166	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Na-2H"	20.974666
"103832"	280.169563	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M-H+Cl"	33.962126
"536834"	411.763813	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M-H+Cl"	33.962126
"929253"	148.575313	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-H+Cl"	33.962126
"270361"	561.346402	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+Cl"	34.969402
"663513"	824.534902	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+Cl"	34.969402
"1274824"	298.157902	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Cl"	34.969402
"19566"	563.325606	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M-2H+K"	36.948606
"469699"	826.514106	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M-2H+K"	36.948606
"842398"	300.137106	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-2H+K"	36.948606
"1564793"	300.137106	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+K-2H"	36.948606
"955594"	308.186694	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-H+HCOOH"	44.998194
"373080"	571.375201	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+HCOOH-H"	44.998201
"358060"	585.390851	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+Hac-H"	59.013851
"1507623"	322.202351	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Hac-H"	59.013851
"971150"	330.168651	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-H+NaCOOH"	66.980151
"124438"	298.157902	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+2Cl"	69.938804
"565171"	429.752152	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+2Cl"	69.938804
"1032794"	166.563652	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2Cl"	69.938804
"1246176"	342.107385	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Br"	78.918885
"1312633"	344.163372	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Cl+HCOOH"	80.974872
"1323571"	366.145329	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Cl+NaCOOH"	102.956829
"915725"	376.174086	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M-H+CF3COOH"	112.985586
"1292801"	412.150764	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Cl+CF3COOH"	148.962264
"1369871"	228.175824	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H-2H2O"	-35.012676
"1385908"	246.1858	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H-H2O"	-17.0027
"284500"	527.384276	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+H"	1.007276
"677647"	790.572776	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+H"	1.007276
"1353266"	264.195776	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H"	1.007276
"130535"	264.195776	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+2H"	2.014552
"575930"	395.790026	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+2H"	2.014552
"1042178"	132.601526	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2H"	2.014552
"213361"	176.466276	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+3H"	3.021828
"654014"	264.195776	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+3H"	3.021828
"1167766"	88.736776	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+3H"	3.021828
"431040"	544.410823	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+NH4"	18.033823
"797499"	807.599323	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+NH4"	18.033823
"1688363"	281.222323	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+NH4"	18.033823
"337739"	272.7090495	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+H+NH4"	19.041099
"732346"	404.3032995	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+H+NH4"	19.041099
"1483981"	141.1147995	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H+NH4"	19.041099
"398286"	549.366218	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+Na"	22.989218
"763654"	812.554718	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+Na"	22.989218
"1609565"	286.177718	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Na"	22.989218
"320695"	275.186747	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+H+Na"	23.996494
"712024"	406.780997	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+H+Na"	23.996494
"1465844"	143.592497	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H+Na"	23.996494
"1054837"	96.06409	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2H+Na"	25.00377
"1259309"	296.221986	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+CH3OH+H"	33.033486
"382626"	565.340158	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+K"	38.963158
"745810"	828.528658	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+K"	38.963158
"1545676"	302.151658	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+K"	38.963158
"303578"	283.173717	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+H+K"	39.970434
"698554"	414.767967	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+H+K"	39.970434
"1460645"	151.579467	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H+K"	39.970434
"250825"	568.410826	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+ACN+H"	42.033826
"1225116"	305.222326	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+ACN+H"	42.033826
"1209242"	153.114801	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+ACN+2H"	43.041102
"200654"	571.34816	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+2Na-H"	44.97116
"640214"	834.53666	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+2Na-H"	44.97116
"1145908"	308.15966	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2Na-H"	44.97116
"186282"	286.177718	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+2Na"	45.978436
"625477"	417.771968	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+2Na"	45.978436
"1127521"	154.583468	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2Na"	45.978436
"1411775"	103.391404	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H+2Na"	46.985712
"1441705"	310.201246	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H+HCOOH"	47.012746
"229575"	291.21074	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+3H2O+2H"	56.04448
"1519462"	324.25329	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+IsoProp+H"	61.06479
"411857"	294.164688	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+Na+K"	61.952376
"778323"	425.758938	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+Na+K"	61.952376
"1677208"	162.570438	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Na+K"	61.952376
"261904"	590.392768	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+ACN+Na"	64.015768
"1236072"	327.204268	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+ACN+Na"	64.015768
"1723865"	327.227793	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+NH4+HCOOH"	64.039293
"1192143"	110.718718	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+3Na"	68.967654
"1660209"	332.183188	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Na+HCOOH"	68.994688
"164881"	603.29604	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+2K-H"	76.91904
"609545"	866.48454	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+2K-H"	76.91904
"1096973"	340.10754	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2K-H"	76.91904
"149050"	302.151658	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"2M+2K"	77.926316
"594080"	433.745908	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"3M+2K"	77.926316
"1078594"	170.557408	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2K"	77.926316
"1102327"	342.122092	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2K+H"	78.933592
"1347094"	342.209707	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+DMSO+H"	79.021207
"1012345"	346.248876	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2ACN+H"	83.060376
"1531564"	347.242508	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+IsoProp+Na+H"	84.054008
"993638"	173.628076	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+2ACN+2H"	84.067652
"1588503"	348.157128	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+K+HCOOH"	84.968628
"1414404"	378.188638	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+H+CF3COOH"	115.000138
"1147367"	194.141351	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+3ACN+2H"	125.094202
"1697403"	395.215185	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+NH4+CF3COOH"	132.026685
"1644607"	400.17058	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+Na+CF3COOH"	136.98208
"1572604"	416.14452	"C07153"	"Tramadol"	"C16H25NO2"	"263.1885"	"M+K+CF3COOH"	152.95602
"809536"	133.0891	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M"	0
"988177"	114.07071	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-H2O-H"	-19.01839
"74597"	87.7187906666667	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M-3H"	-3.021828
"514155"	132.081824	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M-3H"	-3.021828
"886492"	43.3557573333333	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-3H"	-3.021828
"6157"	132.081824	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M-2H"	-2.014552
"448998"	198.626374	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M-2H"	-2.014552
"818412"	65.537274	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-2H"	-2.014552
"83508"	265.170924	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M-H"	-1.007276
"524164"	398.260024	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M-H"	-1.007276
"899777"	132.081824	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-H"	-1.007276
"56341"	282.197471	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M-2H+NH4"	16.019271
"499426"	415.286571	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M-2H+NH4"	16.019271
"872612"	149.108371	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-2H+NH4"	16.019271
"41241"	287.152866	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M-2H+Na"	20.974666
"475701"	420.241966	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M-2H+Na"	20.974666
"854597"	154.063766	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-2H+Na"	20.974666
"1625224"	154.063766	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Na-2H"	20.974666
"102847"	150.070163	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M-H+Cl"	33.962126
"542411"	216.614713	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M-H+Cl"	33.962126
"929365"	83.525613	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-H+Cl"	33.962126
"268045"	301.147602	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+Cl"	34.969402
"661559"	434.236702	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+Cl"	34.969402
"1274935"	168.058502	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Cl"	34.969402
"20772"	303.126806	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M-2H+K"	36.948606
"464706"	436.215906	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M-2H+K"	36.948606
"848304"	170.037706	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-2H+K"	36.948606
"1565996"	170.037706	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+K-2H"	36.948606
"958015"	178.087294	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-H+HCOOH"	44.998194
"373191"	311.176401	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+HCOOH-H"	44.998201
"358168"	325.192051	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+Hac-H"	59.013851
"1507853"	192.102951	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Hac-H"	59.013851
"973090"	200.069251	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-H+NaCOOH"	66.980151
"122728"	168.058502	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+2Cl"	69.938804
"564109"	234.603052	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+2Cl"	69.938804
"1035092"	101.513952	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2Cl"	69.938804
"1252483"	212.007985	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Br"	78.918885
"1317487"	214.063972	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Cl+HCOOH"	80.974872
"1328055"	236.045929	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Cl+NaCOOH"	102.956829
"915835"	246.074686	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M-H+CF3COOH"	112.985586
"1291818"	282.051364	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Cl+CF3COOH"	148.962264
"1368886"	98.076424	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H-2H2O"	-35.012676
"1383464"	116.0864	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H-H2O"	-17.0027
"285702"	267.185476	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+H"	1.007276
"678124"	400.274576	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+H"	1.007276
"1355566"	134.096376	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H"	1.007276
"129556"	134.096376	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+2H"	2.014552
"572395"	200.640926	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+2H"	2.014552
"1045207"	67.551826	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2H"	2.014552
"210192"	89.7333426666667	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+3H"	3.021828
"647566"	134.096376	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+3H"	3.021828
"1173344"	45.3703093333333	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+3H"	3.021828
"427870"	284.212023	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+NH4"	18.033823
"795061"	417.301123	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+NH4"	18.033823
"1687383"	151.122923	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+NH4"	18.033823
"332381"	142.6096495	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+H+NH4"	19.041099
"731363"	209.1541995	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+H+NH4"	19.041099
"1481906"	76.0650995	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H+NH4"	19.041099
"399491"	289.167418	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+Na"	22.989218
"761578"	422.256518	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+Na"	22.989218
"1608581"	156.078318	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Na"	22.989218
"319713"	145.087347	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+H+Na"	23.996494
"708850"	211.631897	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+H+Na"	23.996494
"1464857"	78.542797	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H+Na"	23.996494
"1053853"	52.6976233333333	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2H+Na"	25.00377
"1258326"	166.122586	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+CH3OH+H"	33.033486
"382732"	305.141358	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+K"	38.963158
"743733"	438.230458	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+K"	38.963158
"1546875"	172.052258	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+K"	38.963158
"301502"	153.074317	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+H+K"	39.970434
"696478"	219.618867	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+H+K"	39.970434
"1461121"	86.529767	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H+K"	39.970434
"249960"	308.212026	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+ACN+H"	42.033826
"1224015"	175.122926	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+ACN+H"	42.033826
"1209477"	88.065101	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+ACN+2H"	43.041102
"203561"	311.14936	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+2Na-H"	44.97116
"639594"	444.23846	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+2Na-H"	44.97116
"1144922"	178.06026	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2Na-H"	44.97116
"185298"	156.078318	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+2Na"	45.978436
"625095"	222.622868	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+2Na"	45.978436
"1126537"	89.533768	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2Na"	45.978436
"1407873"	60.0249373333333	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H+2Na"	46.985712
"1441814"	180.101846	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H+HCOOH"	47.012746
"227499"	161.11134	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+3H2O+2H"	56.04448
"1511188"	194.15389	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+IsoProp+H"	61.06479
"413065"	164.065288	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+Na+K"	61.952376
"772967"	230.609838	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+Na+K"	61.952376
"1679878"	97.520738	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Na+K"	61.952376
"264934"	330.193968	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+ACN+Na"	64.015768
"1238012"	197.104868	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+ACN+Na"	64.015768
"1727265"	197.128393	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+NH4+HCOOH"	64.039293
"1193919"	67.3522513333333	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+3Na"	68.967654
"1657032"	202.083788	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Na+HCOOH"	68.994688
"162801"	343.09724	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+2K-H"	76.91904
"611114"	476.18634	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+2K-H"	76.91904
"1095623"	210.00814	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2K-H"	76.91904
"153533"	172.052258	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"2M+2K"	77.926316
"588722"	238.596808	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"3M+2K"	77.926316
"1072144"	105.507708	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2K"	77.926316
"1106444"	212.022692	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2K+H"	78.933592
"1339550"	212.110307	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+DMSO+H"	79.021207
"1014642"	216.149476	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2ACN+H"	83.060376
"1528393"	217.143108	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+IsoProp+Na+H"	84.054008
"997026"	108.578376	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+2ACN+2H"	84.067652
"1587523"	218.057728	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+K+HCOOH"	84.968628
"1415003"	248.089238	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+H+CF3COOH"	115.000138
"1147114"	129.091651	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+3ACN+2H"	125.094202
"1698130"	265.115785	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+NH4+CF3COOH"	132.026685
"1638157"	270.07118	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+Na+CF3COOH"	136.98208
"1573081"	286.04512	"C07155"	"Tranylcypromine"	"C9H11N"	"133.0891"	"M+K+CF3COOH"	152.95602
"801823"	371.1513	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M"	0
"974502"	352.13291	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-H2O-H"	-19.01839
"63517"	246.426924	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M-3H"	-3.021828
"509889"	370.144024	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M-3H"	-3.021828
"889882"	122.709824	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-3H"	-3.021828
"10640"	370.144024	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M-2H"	-2.014552
"446922"	555.719674	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M-2H"	-2.014552
"824721"	184.568374	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-2H"	-2.014552
"83619"	741.295324	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M-H"	-1.007276
"522087"	1112.446624	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M-H"	-1.007276
"902076"	370.144024	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-H"	-1.007276
"53171"	758.321871	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M-2H+NH4"	16.019271
"494918"	1129.473171	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M-2H+NH4"	16.019271
"872722"	387.170571	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-2H+NH4"	16.019271
"35157"	763.277266	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M-2H+Na"	20.974666
"473624"	1134.428566	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M-2H+Na"	20.974666
"849240"	392.125966	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-2H+Na"	20.974666
"1625335"	392.125966	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Na-2H"	20.974666
"105145"	388.132363	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M-H+Cl"	33.962126
"544709"	573.708013	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M-H+Cl"	33.962126
"932758"	202.556713	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-H+Cl"	33.962126
"273502"	777.272002	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+Cl"	34.969402
"667016"	1148.423302	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+Cl"	34.969402
"1279420"	406.120702	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Cl"	34.969402
"20882"	779.251206	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M-2H+K"	36.948606
"467003"	1150.402506	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M-2H+K"	36.948606
"847722"	408.099906	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-2H+K"	36.948606
"1567929"	408.099906	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+K-2H"	36.948606
"955817"	416.149494	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-H+HCOOH"	44.998194
"374394"	787.300801	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+HCOOH-H"	44.998201
"357185"	801.316451	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+Hac-H"	59.013851
"1502739"	430.165151	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Hac-H"	59.013851
"971376"	438.131451	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-H+NaCOOH"	66.980151
"120281"	406.120702	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+2Cl"	69.938804
"562029"	591.696352	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+2Cl"	69.938804
"1027549"	220.545052	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2Cl"	69.938804
"1250407"	450.070185	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Br"	78.918885
"1315045"	452.126172	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Cl+HCOOH"	80.974872
"1328166"	474.108129	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Cl+NaCOOH"	102.956829
"923604"	484.136886	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M-H+CF3COOH"	112.985586
"1298127"	520.113564	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Cl+CF3COOH"	148.962264
"1370092"	336.138624	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H-2H2O"	-35.012676
"1385399"	354.1486	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H-H2O"	-17.0027
"283098"	743.309876	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+H"	1.007276
"676778"	1114.461176	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+H"	1.007276
"1354584"	372.158576	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H"	1.007276
"132945"	372.158576	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+2H"	2.014552
"573599"	557.734226	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+2H"	2.014552
"1048233"	186.582926	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2H"	2.014552
"210302"	248.441476	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+3H"	3.021828
"647676"	372.158576	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+3H"	3.021828
"1173820"	124.724376	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+3H"	3.021828
"430168"	760.336423	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+NH4"	18.033823
"797357"	1131.487723	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+NH4"	18.033823
"1689680"	389.185123	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+NH4"	18.033823
"333584"	380.6718495	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+H+NH4"	19.041099
"729286"	566.2474995	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+H+NH4"	19.041099
"1483109"	195.0961995	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H+NH4"	19.041099
"398508"	765.291818	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+Na"	22.989218
"761687"	1136.443118	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+Na"	22.989218
"1609783"	394.140518	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Na"	22.989218
"318729"	383.149547	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+H+Na"	23.996494
"710055"	568.725197	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+H+Na"	23.996494
"1463997"	197.573897	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H+Na"	23.996494
"1056027"	132.05169	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2H+Na"	25.00377
"1260621"	404.184786	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+CH3OH+H"	33.033486
"382843"	781.265758	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+K"	38.963158
"743842"	1152.417058	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+K"	38.963158
"1544799"	410.114458	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+K"	38.963158
"300885"	391.136517	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+H+K"	39.970434
"706193"	576.712167	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+H+K"	39.970434
"1459769"	205.560867	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H+K"	39.970434
"248857"	784.336426	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+ACN+H"	42.033826
"1223638"	413.185126	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+ACN+H"	42.033826
"1206911"	207.096201	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+ACN+2H"	43.041102
"200515"	787.27376	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+2Na-H"	44.97116
"638976"	1158.42506	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+2Na-H"	44.97116
"1145034"	416.12246	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2Na-H"	44.97116
"185771"	394.140518	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+2Na"	45.978436
"625328"	579.716168	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+2Na"	45.978436
"1125554"	208.564868	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2Na"	45.978436
"1404705"	139.379004	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H+2Na"	46.985712
"1441193"	418.164046	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H+HCOOH"	47.012746
"222145"	399.17354	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+3H2O+2H"	56.04448
"1510086"	432.21609	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+IsoProp+H"	61.06479
"409895"	402.127488	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+Na+K"	61.952376
"776359"	587.703138	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+Na+K"	61.952376
"1678529"	216.551838	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Na+K"	61.952376
"261034"	806.318368	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+ACN+Na"	64.015768
"1239217"	435.167068	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+ACN+Na"	64.015768
"1723724"	435.190593	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+NH4+HCOOH"	64.039293
"1191266"	146.706318	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+3Na"	68.967654
"1657144"	440.145988	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Na+HCOOH"	68.994688
"166195"	819.22164	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+2K-H"	76.91904
"606849"	1190.37294	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+2K-H"	76.91904
"1093549"	448.07034	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2K-H"	76.91904
"153646"	410.114458	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"2M+2K"	77.926316
"587742"	595.690108	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"3M+2K"	77.926316
"1078812"	224.538808	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2K"	77.926316
"1105464"	450.084892	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2K+H"	78.933592
"1347317"	450.172507	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+DMSO+H"	79.021207
"1015848"	454.211676	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2ACN+H"	83.060376
"1531783"	455.205308	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+IsoProp+Na+H"	84.054008
"992399"	227.609476	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+2ACN+2H"	84.067652
"1588723"	456.119928	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+K+HCOOH"	84.968628
"1414751"	486.151438	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+H+CF3COOH"	115.000138
"1153063"	248.122751	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+3ACN+2H"	125.094202
"1700427"	503.177985	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+NH4+CF3COOH"	132.026685
"1638270"	508.13338	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+Na+CF3COOH"	136.98208
"1579389"	524.10732	"C07156"	"Trazodone"	"C19H22ClN5O"	"371.1513"	"M+K+CF3COOH"	152.95602
"802099"	182.0943	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M"	0
"975994"	163.07591	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"62963"	120.388924	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"503187"	181.087024	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"891085"	59.690824	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"10750"	181.087024	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"447032"	272.134174	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"823737"	90.039874	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"82270"	363.181324	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"523290"	545.275624	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"903279"	181.087024	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"54374"	380.207871	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"497215"	562.302171	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"870645"	198.113571	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"35630"	385.163266	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"473734"	567.257566	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"850807"	203.068966	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1625445"	203.068966	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"105255"	199.075363	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"548709"	290.122513	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"932868"	108.028213	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"273612"	399.158002	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"667126"	581.252302	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1279530"	217.063702	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"23179"	401.137206	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"467113"	583.231506	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"847226"	219.042906	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1568039"	219.042906	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"956290"	227.092494	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"373411"	409.186801	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"358389"	423.202451	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1506130"	241.108151	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"970029"	249.074451	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"121485"	217.063702	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"562139"	308.110852	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1034220"	126.016552	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1248330"	261.013185	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1311872"	263.069172	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1326089"	285.051129	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"924444"	295.079886	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1298237"	331.056564	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1374212"	147.081624	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1387697"	165.0916	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"288113"	365.195876	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"676888"	547.290176	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1354696"	183.101576	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"135242"	183.101576	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"576990"	274.148726	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1047978"	92.054426	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"215879"	122.403476	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"653253"	183.101576	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1174659"	61.705376	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"433558"	382.222423	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"797468"	564.316723	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1687605"	200.128123	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"333695"	191.6148495	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"726117"	282.6619995	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1482126"	100.5676995	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"399713"	387.177818	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"762891"	569.272118	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1609892"	205.083518	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"317746"	194.092547	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"710164"	285.139697	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1462893"	103.045397	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1054680"	69.03269	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1258910"	215.127786	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"379673"	403.151758	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"742858"	585.246058	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1544912"	221.057458	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"300023"	202.079517	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"698886"	293.126667	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1460363"	111.032367	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"250058"	406.222426	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1225202"	224.128126	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1207751"	112.567701	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"201718"	409.15976	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"641639"	591.25406	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1144049"	227.06546	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"185514"	205.083518	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"625438"	296.130668	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1122384"	114.036368	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1404814"	76.360004	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1440210"	229.107046	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"223348"	210.11654	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1512506"	243.15909	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"411098"	213.070488	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"777562"	304.117638	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1678269"	122.023338	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"261508"	428.204368	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1238592"	246.110068	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1727114"	246.133593	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1188460"	83.687318	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1657254"	251.088988	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"165212"	441.10764	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"603680"	623.20194	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1094752"	259.01334	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"152663"	221.057458	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"587852"	312.104608	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1078922"	130.010308	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1107759"	261.027892	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1349494"	261.115507	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1015957"	265.154676	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1535174"	266.148308	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"992509"	133.080976	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1588469"	267.062928	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1414416"	297.094438	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1147188"	153.594251	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1697742"	314.120985	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1638380"	319.07638	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1579499"	335.05032	"C07159"	"2-Oxo-delta3-455-trimethylcyclopentenylacetate;2-Oxo-delta3-455-trimethylcyclopentenylacetic acid"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"803304"	931.1989	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M"	0
"976837"	912.18051	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-H2O-H"	-19.01839
"63985"	619.791990666667	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M-3H"	-3.021828
"503911"	930.191624	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M-3H"	-3.021828
"890101"	309.392357333333	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-3H"	-3.021828
"9767"	930.191624	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M-2H"	-2.014552
"444954"	1395.791074	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M-2H"	-2.014552
"820930"	464.592174	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-2H"	-2.014552
"82016"	1861.390524	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M-H"	-1.007276
"521578"	2792.589424	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M-H"	-1.007276
"903389"	930.191624	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-H"	-1.007276
"52297"	1878.417071	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M-2H+NH4"	16.019271
"498418"	2809.615971	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M-2H+NH4"	16.019271
"872941"	947.218171	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-2H+NH4"	16.019271
"37563"	1883.372466	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M-2H+Na"	20.974666
"476033"	2814.571366	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M-2H+Na"	20.974666
"853834"	952.173566	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-2H+Na"	20.974666
"1624463"	952.173566	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Na-2H"	20.974666
"105365"	948.179963	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M-H+Cl"	33.962126
"548939"	1413.779413	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M-H+Cl"	33.962126
"932978"	482.580513	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-H+Cl"	33.962126
"273722"	1897.367202	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+Cl"	34.969402
"666144"	2828.566102	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+Cl"	34.969402
"1279640"	966.168302	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Cl"	34.969402
"24383"	1899.346406	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M-2H+K"	36.948606
"468317"	2830.545306	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M-2H+K"	36.948606
"845025"	968.147506	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-2H+K"	36.948606
"1566326"	968.147506	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+K-2H"	36.948606
"949837"	976.197094	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-H+HCOOH"	44.998194
"374614"	1907.396001	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+HCOOH-H"	44.998201
"357045"	1921.411651	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+Hac-H"	59.013851
"1504053"	990.212751	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Hac-H"	59.013851
"970868"	998.179051	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-H+NaCOOH"	66.980151
"117223"	966.168302	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+2Cl"	69.938804
"557877"	1431.767752	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+2Cl"	69.938804
"1027768"	500.568852	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2Cl"	69.938804
"1246252"	1010.117785	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Br"	78.918885
"1310523"	1012.173772	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Cl+HCOOH"	80.974872
"1324376"	1034.155729	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Cl+NaCOOH"	102.956829
"921639"	1044.184486	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M-H+CF3COOH"	112.985586
"1292152"	1080.161164	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Cl+CF3COOH"	148.962264
"1371771"	896.186224	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H-2H2O"	-35.012676
"1394003"	914.1962	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H-H2O"	-17.0027
"285308"	1863.405076	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+H"	1.007276
"678822"	2794.603976	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+H"	1.007276
"1358086"	932.206176	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H"	1.007276
"133165"	932.206176	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+2H"	2.014552
"579652"	1397.805626	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+2H"	2.014552
"1049182"	466.606726	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2H"	2.014552
"216358"	621.806542666667	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+3H"	3.021828
"653365"	932.206176	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+3H"	3.021828
"1173676"	311.406909333333	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+3H"	3.021828
"435855"	1880.431623	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+NH4"	18.033823
"797943"	2811.630523	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+NH4"	18.033823
"1690995"	949.232723	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+NH4"	18.033823
"337086"	940.7194495	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+H+NH4"	19.041099
"728414"	1406.3188995	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+H+NH4"	19.041099
"1483329"	475.1199995	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H+NH4"	19.041099
"400916"	1885.387018	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+Na"	22.989218
"761908"	2816.585918	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+Na"	22.989218
"1606726"	954.188118	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Na"	22.989218
"316763"	943.197147	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+H+Na"	23.996494
"710278"	1408.796597	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+H+Na"	23.996494
"1465190"	477.597697	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H+Na"	23.996494
"1054790"	318.734223333333	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2H+Na"	25.00377
"1260112"	964.232386	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+CH3OH+H"	33.033486
"383063"	1901.360958	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+K"	38.963158
"742969"	2832.559858	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+K"	38.963158
"1543929"	970.162058	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+K"	38.963158
"302198"	951.184117	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+H+K"	39.970434
"698996"	1416.783567	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+H+K"	39.970434
"1456097"	485.584667	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H+K"	39.970434
"247979"	1904.431626	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+ACN+H"	42.033826
"1224705"	973.232726	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+ACN+H"	42.033826
"1207860"	487.120001	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+ACN+2H"	43.041102
"201459"	1907.36896	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+2Na-H"	44.97116
"640656"	2838.56786	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+2Na-H"	44.97116
"1143794"	976.17006	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2Na-H"	44.97116
"185988"	954.188118	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+2Na"	45.978436
"622268"	1419.787568	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+2Na"	45.978436
"1123585"	488.588668	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2Na"	45.978436
"1404923"	326.061537333333	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H+2Na"	46.985712
"1442143"	978.211646	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H+HCOOH"	47.012746
"223457"	959.22114	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+3H2O+2H"	56.04448
"1512615"	992.26369	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+IsoProp+H"	61.06479
"413394"	962.175088	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+Na+K"	61.952376
"782047"	1427.774538	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+Na+K"	61.952376
"1677286"	496.575638	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Na+K"	61.952376
"264172"	1926.413568	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+ACN+Na"	64.015768
"1237979"	995.214668	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+ACN+Na"	64.015768
"1726497"	995.238193	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+NH4+HCOOH"	64.039293
"1192580"	333.388851333333	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+3Na"	68.967654
"1658457"	1000.193588	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Na+HCOOH"	68.994688
"162042"	1939.31684	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+2K-H"	76.91904
"603790"	2870.51574	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+2K-H"	76.91904
"1094863"	1008.11794	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2K-H"	76.91904
"152774"	970.162058	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"2M+2K"	77.926316
"591242"	1435.761508	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"3M+2K"	77.926316
"1070284"	504.562608	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2K"	77.926316
"1107870"	1010.132492	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2K+H"	78.933592
"1345352"	1010.220107	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+DMSO+H"	79.021207
"1016068"	1014.259276	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2ACN+H"	83.060376
"1534191"	1015.252908	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+IsoProp+Na+H"	84.054008
"994078"	507.633276	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+2ACN+2H"	84.067652
"1590038"	1016.167528	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+K+HCOOH"	84.968628
"1414336"	1046.199038	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+H+CF3COOH"	115.000138
"1148057"	528.146551	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+3ACN+2H"	125.094202
"1703927"	1063.225585	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+NH4+CF3COOH"	132.026685
"1637393"	1068.18098	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+Na+CF3COOH"	136.98208
"1579609"	1084.15492	"C07160"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl-CoA;2-Oxo-delta3-455-trimethylcyclopentenylacetyl coenzyme A"	"C31H48N7O18P3S"	"931.1989"	"M+K+CF3COOH"	152.95602
"804509"	309.2093	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M"	0
"975125"	290.19091	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-H2O-H"	-19.01839
"71751"	205.132257333333	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M-3H"	-3.021828
"504021"	308.202024	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M-3H"	-3.021828
"890212"	102.062490666667	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-3H"	-3.021828
"10973"	308.202024	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M-2H"	-2.014552
"448344"	462.806674	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M-2H"	-2.014552
"819585"	153.597374	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-2H"	-2.014552
"82856"	617.411324	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M-H"	-1.007276
"524606"	926.620624	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M-H"	-1.007276
"902406"	308.202024	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-H"	-1.007276
"54594"	634.437871	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M-2H+NH4"	16.019271
"493062"	943.647171	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M-2H+NH4"	16.019271
"874143"	325.228571	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-2H+NH4"	16.019271
"39860"	639.393266	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M-2H+Na"	20.974666
"477236"	948.602566	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M-2H+Na"	20.974666
"855037"	330.183966	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-2H+Na"	20.974666
"1626759"	330.183966	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Na-2H"	20.974666
"107661"	326.190363	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M-H+Cl"	33.962126
"549171"	480.795013	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M-H+Cl"	33.962126
"936369"	171.585713	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-H+Cl"	33.962126
"277112"	653.388002	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+Cl"	34.969402
"667347"	962.597302	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+Cl"	34.969402
"1280844"	344.178702	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Cl"	34.969402
"26680"	655.367206	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M-2H+K"	36.948606
"467334"	964.576506	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M-2H+K"	36.948606
"845135"	346.157906	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-2H+K"	36.948606
"1565343"	346.157906	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+K-2H"	36.948606
"951040"	354.207494	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-H+HCOOH"	44.998194
"374724"	663.416801	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+HCOOH-H"	44.998201
"358859"	677.432451	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+Hac-H"	59.013851
"1507326"	368.223151	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Hac-H"	59.013851
"971952"	376.189451	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-H+NaCOOH"	66.980151
"124621"	344.178702	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+2Cl"	69.938804
"560173"	498.783352	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+2Cl"	69.938804
"1027512"	189.574052	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2Cl"	69.938804
"1249643"	388.128185	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Br"	78.918885
"1312092"	390.184172	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Cl+HCOOH"	80.974872
"1325942"	412.166129	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Cl+NaCOOH"	102.956829
"924299"	422.194886	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M-H+CF3COOH"	112.985586
"1295178"	458.171564	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Cl+CF3COOH"	148.962264
"1371881"	274.196624	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H-2H2O"	-35.012676
"1394113"	292.2066	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H-H2O"	-17.0027
"286146"	619.425876	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+H"	1.007276
"678932"	928.635176	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+H"	1.007276
"1358196"	310.216576	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H"	1.007276
"134368"	310.216576	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+2H"	2.014552
"578669"	464.821226	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+2H"	2.014552
"1050021"	155.611926	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2H"	2.014552
"218289"	207.146809333333	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+3H"	3.021828
"656027"	310.216576	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+3H"	3.021828
"1174515"	104.077042666667	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+3H"	3.021828
"436695"	636.452423	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+NH4"	18.033823
"799147"	945.661723	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+NH4"	18.033823
"1691105"	327.243123	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+NH4"	18.033823
"338290"	318.7298495	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+H+NH4"	19.041099
"727431"	473.3344995	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+H+NH4"	19.041099
"1481252"	164.1251995	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H+NH4"	19.041099
"403212"	641.407818	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+Na"	22.989218
"764205"	950.617118	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+Na"	22.989218
"1604649"	332.198518	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Na"	22.989218
"316873"	321.207547	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+H+Na"	23.996494
"710387"	475.812197	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+H+Na"	23.996494
"1465301"	166.602897	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H+Na"	23.996494
"1056359"	111.404356666667	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2H+Na"	25.00377
"1260222"	342.242786	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+CH3OH+H"	33.033486
"382080"	657.381758	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+K"	38.963158
"746357"	966.591058	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+K"	38.963158
"1550597"	348.172458	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+K"	38.963158
"305586"	329.194517	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+H+K"	39.970434
"699106"	483.799167	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+H+K"	39.970434
"1455112"	174.589867	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H+K"	39.970434
"242621"	660.452426	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+ACN+H"	42.033826
"1221892"	351.243126	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+ACN+H"	42.033826
"1206876"	176.125201	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+ACN+2H"	43.041102
"202297"	663.38976	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+2Na-H"	44.97116
"642222"	972.59906	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+2Na-H"	44.97116
"1145360"	354.18046	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2Na-H"	44.97116
"185005"	332.198518	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+2Na"	45.978436
"622378"	486.803168	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+2Na"	45.978436
"1122602"	177.593868	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2Na"	45.978436
"1405033"	118.731670666667	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H+2Na"	46.985712
"1440430"	356.222046	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H+HCOOH"	47.012746
"224660"	337.23154	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+3H2O+2H"	56.04448
"1513818"	370.27409	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+IsoProp+H"	61.06479
"411681"	340.185488	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+Na+K"	61.952376
"782157"	494.790138	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+Na+K"	61.952376
"1679583"	185.580838	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Na+K"	61.952376
"266471"	682.434368	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+ACN+Na"	64.015768
"1239913"	373.225068	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+ACN+Na"	64.015768
"1728313"	373.248593	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+NH4+HCOOH"	64.039293
"1191961"	126.058984666667	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+3Na"	68.967654
"1658567"	378.203988	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Na+HCOOH"	68.994688
"162151"	695.33764	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+2K-H"	76.91904
"607180"	1004.54694	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+2K-H"	76.91904
"1094973"	386.12834	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2K-H"	76.91904
"150697"	348.172458	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"2M+2K"	77.926316
"590259"	502.777108	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"3M+2K"	77.926316
"1071123"	193.567808	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2K"	77.926316
"1107980"	388.142892	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2K+H"	78.933592
"1344369"	388.230507	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+DMSO+H"	79.021207
"1016178"	392.269676	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2ACN+H"	83.060376
"1534301"	393.263308	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+IsoProp+Na+H"	84.054008
"994552"	196.638476	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+2ACN+2H"	84.067652
"1589419"	394.177928	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+K+HCOOH"	84.968628
"1414957"	424.209438	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+H+CF3COOH"	115.000138
"1148045"	217.151751	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+3ACN+2H"	125.094202
"1704037"	441.235985	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+NH4+CF3COOH"	132.026685
"1637503"	446.19138	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+Na+CF3COOH"	136.98208
"1579719"	462.16532	"C07163"	"Methadone"	"C21H27NO"	"309.2093"	"M+K+CF3COOH"	152.95602
"801604"	149.1204	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M"	0
"975231"	130.10201	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-H2O-H"	-19.01839
"71861"	98.406324	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M-3H"	-3.021828
"503198"	148.113124	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M-3H"	-3.021828
"890321"	48.699524	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-3H"	-3.021828
"7800"	148.113124	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M-2H"	-2.014552
"444080"	222.673324	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M-2H"	-2.014552
"817381"	73.552924	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-2H"	-2.014552
"79442"	297.233524	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M-H"	-1.007276
"523622"	446.353924	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M-H"	-1.007276
"897050"	148.113124	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-H"	-1.007276
"48869"	314.260071	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M-2H+NH4"	16.019271
"492079"	463.380471	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M-2H+NH4"	16.019271
"872067"	165.139671	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-2H+NH4"	16.019271
"38875"	319.215466	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M-2H+Na"	20.974666
"477345"	468.335866	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M-2H+Na"	20.974666
"856239"	170.095066	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-2H+Na"	20.974666
"1626869"	170.095066	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Na-2H"	20.974666
"104491"	166.101463	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M-H+Cl"	33.962126
"548429"	240.661663	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M-H+Cl"	33.962126
"935386"	91.541263	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-H+Cl"	33.962126
"275035"	333.210202	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+Cl"	34.969402
"665270"	482.330602	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+Cl"	34.969402
"1282047"	184.089802	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Cl"	34.969402
"24603"	335.189406	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M-2H+K"	36.948606
"465257"	484.309806	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M-2H+K"	36.948606
"843058"	186.069006	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-2H+K"	36.948606
"1565453"	186.069006	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+K-2H"	36.948606
"951150"	194.118594	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-H+HCOOH"	44.998194
"374470"	343.239001	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+HCOOH-H"	44.998201
"356903"	357.254651	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+Hac-H"	59.013851
"1506462"	208.134251	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Hac-H"	59.013851
"971088"	216.100551	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-H+NaCOOH"	66.980151
"121815"	184.089802	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+2Cl"	69.938804
"559190"	258.650002	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+2Cl"	69.938804
"1027258"	109.529602	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2Cl"	69.938804
"1243555"	228.039285	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Br"	78.918885
"1312202"	230.095272	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Cl+HCOOH"	80.974872
"1321313"	252.077229	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Cl+NaCOOH"	102.956829
"925501"	262.105986	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M-H+CF3COOH"	112.985586
"1300391"	298.082664	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Cl+CF3COOH"	148.962264
"1379644"	114.107724	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H-2H2O"	-35.012676
"1390944"	132.1177	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H-H2O"	-17.0027
"287349"	299.248076	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+H"	1.007276
"679771"	448.368476	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+H"	1.007276
"1358306"	150.127676	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H"	1.007276
"133385"	150.127676	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+2H"	2.014552
"576226"	224.687876	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+2H"	2.014552
"1050497"	75.567476	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2H"	2.014552
"217306"	100.420876	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+3H"	3.021828
"656501"	150.127676	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+3H"	3.021828
"1174990"	50.714076	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+3H"	3.021828
"433890"	316.274623	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+NH4"	18.033823
"795978"	465.395023	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+NH4"	18.033823
"1685748"	167.154223	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+NH4"	18.033823
"335119"	158.6409495	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+H+NH4"	19.041099
"727541"	233.2011495	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+H+NH4"	19.041099
"1481362"	84.0807495	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H+NH4"	19.041099
"401135"	321.230018	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+Na"	22.989218
"763222"	470.350418	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+Na"	22.989218
"1606945"	172.109618	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Na"	22.989218
"320262"	161.118647	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+H+Na"	23.996494
"708674"	235.678847	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+H+Na"	23.996494
"1464316"	86.558447	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H+Na"	23.996494
"1053672"	58.04139	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2H+Na"	25.00377
"1259966"	182.153886	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+CH3OH+H"	33.033486
"380004"	337.203958	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+K"	38.963158
"743187"	486.324358	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+K"	38.963158
"1547427"	188.083558	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+K"	38.963158
"304603"	169.105617	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+H+K"	39.970434
"700309"	243.665817	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+H+K"	39.970434
"1453035"	94.545417	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H+K"	39.970434
"242731"	340.274626	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+ACN+H"	42.033826
"1220909"	191.154226	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+ACN+H"	42.033826
"1207716"	96.080751	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+ACN+2H"	43.041102
"201318"	343.21196	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+2Na-H"	44.97116
"641967"	492.33236	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+2Na-H"	44.97116
"1144377"	194.09156	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2Na-H"	44.97116
"184751"	172.109618	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+2Na"	45.978436
"621031"	246.669818	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+2Na"	45.978436
"1122712"	97.549418	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2Na"	45.978436
"1402957"	65.368704	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H+2Na"	46.985712
"1438354"	196.133146	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H+HCOOH"	47.012746
"223674"	177.14264	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+3H2O+2H"	56.04448
"1513928"	210.18519	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+IsoProp+H"	61.06479
"409239"	180.096588	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+Na+K"	61.952376
"781173"	254.656788	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+Na+K"	61.952376
"1676409"	105.536388	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Na+K"	61.952376
"265486"	362.256568	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+ACN+Na"	64.015768
"1240746"	213.136168	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+ACN+Na"	64.015768
"1727807"	213.159693	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+NH4+HCOOH"	64.039293
"1184417"	72.696018	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+3Na"	68.967654
"1658676"	218.115088	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Na+HCOOH"	68.994688
"162260"	375.15984	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+2K-H"	76.91904
"605103"	524.28024	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+2K-H"	76.91904
"1092896"	226.03944	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2K-H"	76.91904
"144247"	188.083558	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"2M+2K"	77.926316
"591462"	262.643758	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"3M+2K"	77.926316
"1070503"	113.523358	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2K"	77.926316
"1104810"	228.053992	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2K+H"	78.933592
"1345572"	228.141607	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+DMSO+H"	79.021207
"1017381"	232.180776	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2ACN+H"	83.060376
"1533318"	233.174408	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+IsoProp+Na+H"	84.054008
"993205"	116.594026	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+2ACN+2H"	84.067652
"1589166"	234.089028	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+K+HCOOH"	84.968628
"1414463"	264.120538	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+H+CF3COOH"	115.000138
"1147181"	137.107301	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+3ACN+2H"	125.094202
"1704147"	281.147085	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+NH4+CF3COOH"	132.026685
"1637613"	286.10248	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+Na+CF3COOH"	136.98208
"1579829"	302.07642	"C07164"	"Methamphetamine"	"C10H15N"	"149.1204"	"M+K+CF3COOH"	152.95602
"802540"	227.8913	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M"	0
"974978"	208.87291	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-H2O-H"	-19.01839
"70878"	150.920257333333	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M-3H"	-3.021828
"502915"	226.884024	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M-3H"	-3.021828
"889337"	74.9564906666667	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-3H"	-3.021828
"6817"	226.884024	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M-2H"	-2.014552
"444190"	340.829674	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M-2H"	-2.014552
"818463"	112.938374	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-2H"	-2.014552
"80890"	454.775324	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M-H"	-1.007276
"520451"	682.666624	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M-H"	-1.007276
"897160"	226.884024	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-H"	-1.007276
"48617"	471.801871	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M-2H+NH4"	16.019271
"491096"	699.693171	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M-2H+NH4"	16.019271
"871085"	243.910571	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-2H+NH4"	16.019271
"37894"	476.757266	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M-2H+Na"	20.974666
"476362"	704.648566	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M-2H+Na"	20.974666
"854163"	248.865966	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-2H+Na"	20.974666
"1630259"	248.865966	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Na-2H"	20.974666
"108612"	244.872363	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M-H+Cl"	33.962126
"547085"	358.818013	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M-H+Cl"	33.962126
"932215"	130.926713	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-H+Cl"	33.962126
"275145"	490.752002	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+Cl"	34.969402
"666473"	718.643302	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+Cl"	34.969402
"1282157"	262.860702	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Cl"	34.969402
"25807"	492.731206	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M-2H+K"	36.948606
"465368"	720.622506	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M-2H+K"	36.948606
"844991"	264.839906	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-2H+K"	36.948606
"1565563"	264.839906	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+K-2H"	36.948606
"951260"	272.889494	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-H+HCOOH"	44.998194
"373486"	500.780801	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+HCOOH-H"	44.998201
"358829"	514.796451	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+Hac-H"	59.013851
"1500373"	286.905151	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Hac-H"	59.013851
"969738"	294.871451	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-H+NaCOOH"	66.980151
"118645"	262.860702	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+2Cl"	69.938804
"562580"	376.806352	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+2Cl"	69.938804
"1027003"	148.915052	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2Cl"	69.938804
"1244760"	306.810185	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Br"	78.918885
"1308667"	308.866172	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Cl+HCOOH"	80.974872
"1323610"	330.848129	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Cl+NaCOOH"	102.956829
"920869"	340.876886	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M-H+CF3COOH"	112.985586
"1300500"	376.853564	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Cl+CF3COOH"	148.962264
"1377567"	192.878624	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H-2H2O"	-35.012676
"1391054"	210.8886	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H-H2O"	-17.0027
"285274"	456.789876	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+H"	1.007276
"683160"	684.681176	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+H"	1.007276
"1356229"	228.898576	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H"	1.007276
"136775"	228.898576	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+2H"	2.014552
"579983"	342.844226	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+2H"	2.014552
"1050242"	114.952926	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2H"	2.014552
"216323"	152.934809333333	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+3H"	3.021828
"656975"	228.898576	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+3H"	3.021828
"1176922"	76.9710426666667	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+3H"	3.021828
"432906"	473.816423	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+NH4"	18.033823
"790620"	701.707723	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+NH4"	18.033823
"1685857"	245.925123	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+NH4"	18.033823
"334136"	237.4118495	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+H+NH4"	19.041099
"728744"	351.3574995	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+H+NH4"	19.041099
"1482565"	123.4661995	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H+NH4"	19.041099
"402338"	478.771818	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+Na"	22.989218
"760052"	706.663118	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+Na"	22.989218
"1608148"	250.880518	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Na"	22.989218
"320373"	239.889547	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+H+Na"	23.996494
"708421"	353.835197	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+H+Na"	23.996494
"1465519"	125.943897	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H+Na"	23.996494
"1055485"	84.2983566666667	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2H+Na"	25.00377
"1260442"	260.924786	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+CH3OH+H"	33.033486
"380114"	494.745758	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+K"	38.963158
"745485"	722.637058	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+K"	38.963158
"1545350"	266.854458	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+K"	38.963158
"303620"	247.876517	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+H+K"	39.970434
"703336"	361.822167	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+H+K"	39.970434
"1457156"	133.930867	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H+K"	39.970434
"242841"	497.816426	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+ACN+H"	42.033826
"1219925"	269.925126	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+ACN+H"	42.033826
"1207098"	135.466201	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+ACN+2H"	43.041102
"201424"	500.75376	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+2Na-H"	44.97116
"641351"	728.64506	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+2Na-H"	44.97116
"1143029"	272.86246	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2Na-H"	44.97116
"184863"	250.880518	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+2Na"	45.978436
"622598"	364.826168	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+2Na"	45.978436
"1123553"	136.934868	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2Na"	45.978436
"1407805"	91.6256706666667	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H+2Na"	46.985712
"1438462"	274.904046	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H+HCOOH"	47.012746
"226699"	255.91354	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+3H2O+2H"	56.04448
"1512944"	288.95609	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+IsoProp+H"	61.06479
"409713"	258.867488	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+Na+K"	61.952376
"783469"	372.813138	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+Na+K"	61.952376
"1677248"	144.921838	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Na+K"	61.952376
"265231"	519.798368	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+ACN+Na"	64.015768
"1238307"	291.907068	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+ACN+Na"	64.015768
"1727190"	291.930593	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+NH4+HCOOH"	64.039293
"1191088"	98.9529846666667	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+3Na"	68.967654
"1658059"	296.885988	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Na+HCOOH"	68.994688
"165653"	532.70164	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+2K-H"	76.91904
"605213"	760.59294	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+2K-H"	76.91904
"1089726"	304.81034	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2K-H"	76.91904
"144357"	266.854458	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"2M+2K"	77.926316
"594852"	380.800108	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"3M+2K"	77.926316
"1070616"	152.908808	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2K"	77.926316
"1106014"	306.824892	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2K+H"	78.933592
"1344589"	306.912507	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+DMSO+H"	79.021207
"1017491"	310.951676	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2ACN+H"	83.060376
"1533428"	311.945308	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+IsoProp+Na+H"	84.054008
"993677"	155.979476	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+2ACN+2H"	84.067652
"1592191"	312.859928	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+K+HCOOH"	84.968628
"1420037"	342.891438	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+H+CF3COOH"	115.000138
"1147176"	176.492751	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+3ACN+2H"	125.094202
"1697012"	359.917985	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+NH4+CF3COOH"	132.026685
"1635900"	364.87338	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+Na+CF3COOH"	136.98208
"1579939"	380.84732	"C07165"	"Triclofos"	"C2H4Cl3O4P"	"227.8913"	"M+K+CF3COOH"	152.95602
"803746"	146.1531	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M"	0
"975091"	127.13471	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-H2O-H"	-19.01839
"70988"	96.428124	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M-3H"	-3.021828
"503379"	145.145824	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M-3H"	-3.021828
"889449"	47.710424	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-3H"	-3.021828
"9114"	145.145824	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M-2H"	-2.014552
"445394"	218.222374	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M-2H"	-2.014552
"823197"	72.069274	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-2H"	-2.014552
"85376"	291.298924	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M-H"	-1.007276
"529310"	437.452024	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M-H"	-1.007276
"899459"	145.145824	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-H"	-1.007276
"56020"	308.325471	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M-2H+NH4"	16.019271
"493393"	454.478571	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M-2H+NH4"	16.019271
"869008"	162.172371	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-2H+NH4"	16.019271
"36912"	313.280866	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M-2H+Na"	20.974666
"473194"	459.433966	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M-2H+Na"	20.974666
"853180"	167.127766	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-2H+Na"	20.974666
"1628183"	167.127766	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Na-2H"	20.974666
"105807"	163.134163	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M-H+Cl"	33.962126
"539900"	236.210713	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M-H+Cl"	33.962126
"939248"	90.057613	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-H+Cl"	33.962126
"274161"	327.275602	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+Cl"	34.969402
"670594"	473.428702	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+Cl"	34.969402
"1280081"	181.122502	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Cl"	34.969402
"24825"	329.254806	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M-2H+K"	36.948606
"467667"	475.407906	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M-2H+K"	36.948606
"845467"	183.101706	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-2H+K"	36.948606
"1566769"	183.101706	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+K-2H"	36.948606
"952465"	191.151294	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-H+HCOOH"	44.998194
"371774"	337.304401	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+HCOOH-H"	44.998201
"357846"	351.320051	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+Hac-H"	59.013851
"1504490"	205.166951	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Hac-H"	59.013851
"967659"	213.133251	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-H+NaCOOH"	66.980151
"116203"	181.122502	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+2Cl"	69.938804
"557224"	254.199052	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+2Cl"	69.938804
"1026020"	108.045952	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2Cl"	69.938804
"1242438"	225.071985	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Br"	78.918885
"1311331"	227.127972	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Cl+HCOOH"	80.974872
"1322383"	249.109929	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Cl+NaCOOH"	102.956829
"917699"	259.138686	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M-H+CF3COOH"	112.985586
"1295506"	295.115364	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Cl+CF3COOH"	148.962264
"1376948"	111.140424	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H-2H2O"	-35.012676
"1391165"	129.1504	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H-H2O"	-17.0027
"291945"	293.313476	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+H"	1.007276
"682179"	439.466576	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+H"	1.007276
"1364359"	147.160376	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H"	1.007276
"134699"	147.160376	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+2H"	2.014552
"579001"	220.236926	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+2H"	2.014552
"1047436"	74.083826	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2H"	2.014552
"213152"	98.442676	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+3H"	3.021828
"651617"	147.160376	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+3H"	3.021828
"1166462"	49.724976	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+3H"	3.021828
"426454"	310.340023	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+NH4"	18.033823
"786351"	456.493123	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+NH4"	18.033823
"1685969"	164.186923	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+NH4"	18.033823
"333153"	155.6736495	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+H+NH4"	19.041099
"727760"	228.7501995	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+H+NH4"	19.041099
"1479395"	82.5970995	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H+NH4"	19.041099
"399168"	315.295418	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+Na"	22.989218
"763443"	461.448518	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+Na"	22.989218
"1611542"	169.142318	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Na"	22.989218
"321578"	158.151347	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+H+Na"	23.996494
"709261"	231.227897	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+H+Na"	23.996494
"1461988"	85.074797	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H+Na"	23.996494
"1053527"	57.05229	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2H+Na"	25.00377
"1264934"	179.186586	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+CH3OH+H"	33.033486
"384600"	331.269358	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+K"	38.963158
"746692"	477.422458	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+K"	38.963158
"1549840"	185.116258	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+K"	38.963158
"313092"	166.138317	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+H+K"	39.970434
"702720"	239.214867	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+H+K"	39.970434
"1454353"	93.061767	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H+K"	39.970434
"245144"	334.340026	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+ACN+H"	42.033826
"1222593"	188.186926	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+ACN+H"	42.033826
"1206480"	94.597101	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+ACN+2H"	43.041102
"201537"	337.27736	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+2Na-H"	44.97116
"640729"	483.43046	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+2Na-H"	44.97116
"1142778"	191.12426	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2Na-H"	44.97116
"184971"	169.142318	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+2Na"	45.978436
"624167"	242.218868	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+2Na"	45.978436
"1124757"	96.065768	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2Na"	45.978436
"1407916"	64.379604	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H+2Na"	46.985712
"1440396"	193.165846	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H+HCOOH"	47.012746
"228633"	174.17534	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+3H2O+2H"	56.04448
"1514871"	207.21789	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+IsoProp+H"	61.06479
"416023"	177.129288	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+Na+K"	61.952376
"778113"	250.205838	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+Na+K"	61.952376
"1673349"	104.052738	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Na+K"	61.952376
"258777"	356.321968	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+ACN+Na"	64.015768
"1236954"	210.168868	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+ACN+Na"	64.015768
"1720371"	210.192393	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+NH4+HCOOH"	64.039293
"1186819"	71.706918	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+3Na"	68.967654
"1655984"	215.147788	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Na+HCOOH"	68.994688
"166853"	369.22524	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+2K-H"	76.91904
"601678"	515.37834	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+2K-H"	76.91904
"1094213"	223.07214	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2K-H"	76.91904
"151028"	185.116258	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"2M+2K"	77.926316
"596303"	258.192808	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"3M+2K"	77.926316
"1081663"	112.039708	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2K"	77.926316
"1111592"	225.086692	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2K+H"	78.933592
"1348830"	225.174307	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+DMSO+H"	79.021207
"1021087"	229.213476	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2ACN+H"	83.060376
"1536818"	230.207108	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+IsoProp+Na+H"	84.054008
"993424"	115.110376	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+2ACN+2H"	84.067652
"1590114"	231.121728	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+K+HCOOH"	84.968628
"1420148"	261.153238	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+H+CF3COOH"	115.000138
"1149342"	135.623651	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+3ACN+2H"	125.094202
"1699264"	278.179785	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+NH4+CF3COOH"	132.026685
"1636740"	283.13518	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+Na+CF3COOH"	136.98208
"1580049"	299.10912	"C07166"	"Trientine;Triethylenetetramine"	"C6H18N4"	"146.1531"	"M+K+CF3COOH"	152.95602
"810414"	407.1643	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M"	0
"977751"	388.14591	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-H2O-H"	-19.01839
"72188"	270.435590666667	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M-3H"	-3.021828
"503852"	406.157024	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M-3H"	-3.021828
"882263"	134.714157333333	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-3H"	-3.021828
"4848"	406.157024	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M-2H"	-2.014552
"446597"	609.739174	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M-2H"	-2.014552
"825495"	202.574874	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-2H"	-2.014552
"82206"	813.321324	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M-H"	-1.007276
"525046"	1220.485624	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M-H"	-1.007276
"896774"	406.157024	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-H"	-1.007276
"51756"	830.347871	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M-2H+NH4"	16.019271
"489129"	1237.512171	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M-2H+NH4"	16.019271
"869117"	423.183571	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-2H+NH4"	16.019271
"33739"	835.303266	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M-2H+Na"	20.974666
"473425"	1242.467566	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M-2H+Na"	20.974666
"852197"	428.138966	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-2H+Na"	20.974666
"1625011"	428.138966	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Na-2H"	20.974666
"105917"	424.145363	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M-H+Cl"	33.962126
"545477"	627.727513	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M-H+Cl"	33.962126
"940088"	220.563213	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-H+Cl"	33.962126
"277551"	849.298002	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+Cl"	34.969402
"671799"	1256.462302	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+Cl"	34.969402
"1283836"	442.133702	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Cl"	34.969402
"26028"	851.277206	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M-2H+K"	36.948606
"467777"	1258.441506	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M-2H+K"	36.948606
"845577"	444.112906	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-2H+K"	36.948606
"1569067"	444.112906	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+K-2H"	36.948606
"954398"	452.162494	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-H+HCOOH"	44.998194
"374800"	859.326801	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+HCOOH-H"	44.998201
"358321"	873.342451	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+Hac-H"	59.013851
"1504600"	466.178151	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Hac-H"	59.013851
"967769"	474.144451	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-H+NaCOOH"	66.980151
"118865"	442.133702	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+2Cl"	69.938804
"560614"	645.715852	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+2Cl"	69.938804
"1026860"	238.551552	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2Cl"	69.938804
"1243521"	486.083185	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Br"	78.918885
"1310347"	488.139172	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Cl+HCOOH"	80.974872
"1321278"	510.121129	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Cl+NaCOOH"	102.956829
"918902"	520.149886	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M-H+CF3COOH"	112.985586
"1297803"	556.126564	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Cl+CF3COOH"	148.962264
"1377057"	372.151624	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H-2H2O"	-35.012676
"1388359"	390.1616	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H-H2O"	-17.0027
"290962"	815.335876	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+H"	1.007276
"685570"	1222.500176	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+H"	1.007276
"1364106"	408.171576	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H"	1.007276
"134809"	408.171576	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+2H"	2.014552
"578745"	611.753726	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+2H"	2.014552
"1046455"	204.589426	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2H"	2.014552
"209982"	272.450142666667	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+3H"	3.021828
"651728"	408.171576	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+3H"	3.021828
"1163896"	136.728709333333	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+3H"	3.021828
"427658"	832.362423	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+NH4"	18.033823
"787192"	1239.526723	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+NH4"	18.033823
"1686442"	425.198123	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+NH4"	18.033823
"333627"	416.6848495	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+H+NH4"	19.041099
"727871"	620.2669995	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+H+NH4"	19.041099
"1486066"	213.1026995	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H+NH4"	19.041099
"397091"	837.317818	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+Na"	22.989218
"762461"	1244.482118	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+Na"	22.989218
"1609463"	430.153518	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Na"	22.989218
"320595"	419.162547	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+H+Na"	23.996494
"710467"	622.744697	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+H+Na"	23.996494
"1462098"	215.580397	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H+Na"	23.996494
"1052948"	144.056023333333	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2H+Na"	25.00377
"1263950"	440.197786	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+CH3OH+H"	33.033486
"384710"	853.291758	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+K"	38.963158
"748988"	1260.456058	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+K"	38.963158
"1552136"	446.127458	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+K"	38.963158
"312594"	427.149517	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+H+K"	39.970434
"700642"	630.731667	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+H+K"	39.970434
"1452275"	223.567367	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H+K"	39.970434
"246346"	856.362426	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+ACN+H"	42.033826
"1220151"	449.198126	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+ACN+H"	42.033826
"1207314"	225.102701	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+ACN+2H"	43.041102
"200186"	859.29976	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+2Na-H"	44.97116
"641569"	1266.46406	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+2Na-H"	44.97116
"1142157"	452.13546	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2Na-H"	44.97116
"186173"	430.153518	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+2Na"	45.978436
"624639"	633.735668	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+2Na"	45.978436
"1127052"	226.571368	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2Na"	45.978436
"1407660"	151.383337333333	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H+2Na"	46.985712
"1442327"	454.177046	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H+HCOOH"	47.012746
"227284"	435.18654	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+3H2O+2H"	56.04448
"1513160"	468.22909	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+IsoProp+H"	61.06479
"415042"	438.140488	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+Na+K"	61.952376
"774944"	641.722638	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+Na+K"	61.952376
"1671275"	234.558338	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Na+K"	61.952376
"257793"	878.344368	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+ACN+Na"	64.015768
"1233055"	471.180068	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+ACN+Na"	64.015768
"1723033"	471.203593	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+NH4+HCOOH"	64.039293
"1183649"	158.710651333333	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+3Na"	68.967654
"1655001"	476.158988	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Na+HCOOH"	68.994688
"165870"	891.24764	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+2K-H"	76.91904
"600331"	1298.41194	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+2K-H"	76.91904
"1094323"	484.08334	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2K-H"	76.91904
"151138"	446.127458	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"2M+2K"	77.926316
"595683"	649.709608	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"3M+2K"	77.926316
"1080680"	242.545308	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2K"	77.926316
"1111702"	486.097892	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2K+H"	78.933592
"1350034"	486.185507	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+DMSO+H"	79.021207
"1020955"	490.224676	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2ACN+H"	83.060376
"1538021"	491.218308	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+IsoProp+Na+H"	84.054008
"992805"	245.615976	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+2ACN+2H"	84.067652
"1590224"	492.132928	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+K+HCOOH"	84.968628
"1420258"	522.164438	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+H+CF3COOH"	115.000138
"1149452"	266.129251	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+3ACN+2H"	125.094202
"1699374"	539.190985	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+NH4+CF3COOH"	132.026685
"1637943"	544.14638	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+Na+CF3COOH"	136.98208
"1580159"	560.12032	"C07168"	"Trifluoperazine"	"C21H24F3N3S"	"407.1643"	"M+K+CF3COOH"	152.95602
"810524"	301.2406	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M"	0
"980777"	282.22221	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-H2O-H"	-19.01839
"73391"	199.819790666667	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M-3H"	-3.021828
"509671"	300.233324	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M-3H"	-3.021828
"882009"	99.4062573333333	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-3H"	-3.021828
"2769"	300.233324	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M-2H"	-2.014552
"446707"	450.853624	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M-2H"	-2.014552
"826697"	149.613024	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-2H"	-2.014552
"82315"	601.473924	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M-H"	-1.007276
"524063"	902.714524	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M-H"	-1.007276
"902959"	300.233324	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-H"	-1.007276
"48707"	618.500471	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M-2H+NH4"	16.019271
"487901"	919.741071	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M-2H+NH4"	16.019271
"865946"	317.259871	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-2H+NH4"	16.019271
"32508"	623.455866	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M-2H+Na"	20.974666
"474507"	924.696466	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M-2H+Na"	20.974666
"852307"	322.215266	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-2H+Na"	20.974666
"1625121"	322.215266	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Na-2H"	20.974666
"106027"	318.221663	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M-H+Cl"	33.962126
"545587"	468.841963	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M-H+Cl"	33.962126
"938010"	167.601363	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-H+Cl"	33.962126
"277662"	637.450602	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+Cl"	34.969402
"671178"	938.691202	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+Cl"	34.969402
"1282487"	336.210002	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Cl"	34.969402
"26138"	639.429806	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M-2H+K"	36.948606
"465700"	940.670406	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M-2H+K"	36.948606
"844594"	338.189206	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-2H+K"	36.948606
"1568082"	338.189206	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+K-2H"	36.948606
"949404"	346.238794	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-H+HCOOH"	44.998194
"374181"	647.479401	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+HCOOH-H"	44.998201
"358065"	661.495051	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+Hac-H"	59.013851
"1505440"	360.254451	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Hac-H"	59.013851
"967879"	368.220751	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-H+NaCOOH"	66.980151
"119704"	336.210002	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+2Cl"	69.938804
"559629"	486.830302	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+2Cl"	69.938804
"1026607"	185.589702	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2Cl"	69.938804
"1246914"	380.159485	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Br"	78.918885
"1304455"	382.215472	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Cl+HCOOH"	80.974872
"1324305"	404.197429	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Cl+NaCOOH"	102.956829
"912449"	414.226186	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M-H+CF3COOH"	112.985586
"1299007"	450.202864	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Cl+CF3COOH"	148.962264
"1374980"	266.227924	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H-2H2O"	-35.012676
"1390292"	284.2379	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H-H2O"	-17.0027
"288886"	603.488476	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+H"	1.007276
"681307"	904.729076	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+H"	1.007276
"1359842"	302.247876	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H"	1.007276
"129816"	302.247876	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+2H"	2.014552
"579948"	452.868176	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+2H"	2.014552
"1045472"	151.627576	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2H"	2.014552
"213371"	201.834342666667	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+3H"	3.021828
"650747"	302.247876	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+3H"	3.021828
"1166682"	101.420809333333	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+3H"	3.021828
"429955"	620.515023	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+NH4"	18.033823
"786329"	921.755623	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+NH4"	18.033823
"1685459"	319.274423	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+NH4"	18.033823
"332643"	310.7611495	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+H+NH4"	19.041099
"730170"	461.3814495	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+H+NH4"	19.041099
"1487270"	160.1408495	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H+NH4"	19.041099
"400482"	625.470418	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+Na"	22.989218
"762571"	926.711018	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+Na"	22.989218
"1608480"	324.229818	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Na"	22.989218
"320705"	313.238847	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+H+Na"	23.996494
"712036"	463.859147	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+H+Na"	23.996494
"1465854"	162.618547	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H+Na"	23.996494
"1053505"	108.748123333333	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2H+Na"	25.00377
"1260049"	334.274086	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+CH3OH+H"	33.033486
"382634"	641.444358	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+K"	38.963158
"744726"	942.684958	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+K"	38.963158
"1554432"	340.203758	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+K"	38.963158
"307235"	321.225817	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+H+K"	39.970434
"698566"	471.846117	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+H+K"	39.970434
"1455667"	170.605517	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H+K"	39.970434
"247551"	644.515026	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+ACN+H"	42.033826
"1220261"	343.274426	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+ACN+H"	42.033826
"1207788"	172.140851	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+ACN+2H"	43.041102
"199932"	647.45236	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+2Na-H"	44.97116
"642043"	948.69296	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+2Na-H"	44.97116
"1143361"	346.21176	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2Na-H"	44.97116
"185920"	324.229818	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+2Na"	45.978436
"622200"	474.850118	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+2Na"	45.978436
"1125705"	173.609518	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2Na"	45.978436
"1406678"	116.075437333333	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H+2Na"	46.985712
"1440252"	348.253346	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H+HCOOH"	47.012746
"229580"	329.26284	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+3H2O+2H"	56.04448
"1513272"	362.30539	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+IsoProp+H"	61.06479
"417340"	332.216788	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+Na+K"	61.952376
"777241"	482.837088	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+Na+K"	61.952376
"1672479"	181.596488	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Na+K"	61.952376
"257175"	666.496968	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+ACN+Na"	64.015768
"1236446"	365.256368	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+ACN+Na"	64.015768
"1723144"	365.279893	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+NH4+HCOOH"	64.039293
"1187040"	123.402751333333	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+3Na"	68.967654
"1655841"	370.235288	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Na+HCOOH"	68.994688
"168168"	679.40024	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+2K-H"	76.91904
"601171"	980.64084	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+2K-H"	76.91904
"1094433"	378.15964	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2K-H"	76.91904
"151249"	340.203758	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"2M+2K"	77.926316
"591904"	490.824058	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"3M+2K"	77.926316
"1084117"	189.583458	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2K"	77.926316
"1114971"	380.174192	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2K+H"	78.933592
"1350754"	380.261807	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+DMSO+H"	79.021207
"1020739"	384.300976	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2ACN+H"	83.060376
"1539592"	385.294608	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+IsoProp+Na+H"	84.054008
"993644"	192.654126	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+2ACN+2H"	84.067652
"1597988"	386.209228	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+K+HCOOH"	84.968628
"1422555"	416.240738	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+H+CF3COOH"	115.000138
"1155029"	213.167401	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+3ACN+2H"	125.094202
"1698027"	433.267285	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+NH4+CF3COOH"	132.026685
"1638053"	438.22268	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+Na+CF3COOH"	136.98208
"1580269"	454.19662	"C07171"	"Trihexyphenidyl"	"C20H31NO"	"301.2406"	"M+K+CF3COOH"	152.95602
"810634"	298.1504	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M"	0
"987447"	279.13201	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-H2O-H"	-19.01839
"74596"	197.759657333333	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M-3H"	-3.021828
"514154"	297.143124	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M-3H"	-3.021828
"890863"	98.3761906666667	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-3H"	-3.021828
"2879"	297.143124	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M-2H"	-2.014552
"446817"	446.218324	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M-2H"	-2.014552
"826807"	148.067924	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-2H"	-2.014552
"82425"	595.293524	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M-H"	-1.007276
"520161"	893.443924	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M-H"	-1.007276
"898696"	297.143124	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-H"	-1.007276
"48329"	612.320071	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M-2H+NH4"	16.019271
"488618"	910.470471	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M-2H+NH4"	16.019271
"866418"	314.169671	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-2H+NH4"	16.019271
"33952"	617.275466	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M-2H+Na"	20.974666
"476804"	915.425866	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M-2H+Na"	20.974666
"853512"	319.125066	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-2H+Na"	20.974666
"1628513"	319.125066	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Na-2H"	20.974666
"106136"	315.131463	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M-H+Cl"	33.962126
"541325"	464.206663	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M-H+Cl"	33.962126
"938120"	166.056263	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-H+Cl"	33.962126
"279595"	631.270202	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+Cl"	34.969402
"671288"	929.420602	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+Cl"	34.969402
"1282598"	333.119802	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Cl"	34.969402
"24061"	633.249406	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M-2H+K"	36.948606
"466901"	931.399806	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M-2H+K"	36.948606
"841426"	335.099006	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-2H+K"	36.948606
"1567099"	335.099006	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+K-2H"	36.948606
"952794"	343.148594	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-H+HCOOH"	44.998194
"375384"	641.299001	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+HCOOH-H"	44.998201
"357084"	655.314651	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+Hac-H"	59.013851
"1503728"	357.164251	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Hac-H"	59.013851
"969082"	365.130551	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-H+NaCOOH"	66.980151
"120177"	333.119802	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+2Cl"	69.938804
"560831"	482.195002	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+2Cl"	69.938804
"1026716"	184.044602	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2Cl"	69.938804
"1252489"	377.069285	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Br"	78.918885
"1306556"	379.125272	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Cl+HCOOH"	80.974872
"1323321"	401.107229	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Cl+NaCOOH"	102.956829
"915475"	411.135986	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M-H+CF3COOH"	112.985586
"1299847"	447.112664	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Cl+CF3COOH"	148.962264
"1376913"	263.137724	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H-2H2O"	-35.012676
"1384935"	281.1477	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H-H2O"	-17.0027
"288993"	597.308076	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+H"	1.007276
"683603"	895.458476	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+H"	1.007276
"1359951"	299.157676	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H"	1.007276
"139768"	299.157676	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+2H"	2.014552
"579331"	448.232876	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+2H"	2.014552
"1046675"	150.082476	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2H"	2.014552
"213481"	199.774209333333	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+3H"	3.021828
"651947"	299.157676	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+3H"	3.021828
"1165699"	100.390742666667	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+3H"	3.021828
"425326"	614.334623	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+NH4"	18.033823
"789601"	912.485023	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+NH4"	18.033823
"1684475"	316.184223	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+NH4"	18.033823
"331295"	307.6709495	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+H+NH4"	19.041099
"729187"	456.7461495	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+H+NH4"	19.041099
"1486287"	158.5957495	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H+NH4"	19.041099
"400591"	619.290018	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+Na"	22.989218
"761586"	917.440418	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+Na"	22.989218
"1607497"	321.139618	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Na"	22.989218
"319722"	310.148647	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+H+Na"	23.996494
"713239"	459.223847	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+H+Na"	23.996494
"1467058"	161.073447	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H+Na"	23.996494
"1058115"	107.718056666667	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2H+Na"	25.00377
"1263076"	331.183886	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+CH3OH+H"	33.033486
"380558"	635.263958	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+K"	38.963158
"748117"	933.414358	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+K"	38.963158
"1549076"	337.113558	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+K"	38.963158
"310627"	318.135617	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+H+K"	39.970434
"700862"	467.210817	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+H+K"	39.970434
"1459787"	169.060417	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H+K"	39.970434
"245473"	638.334626	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+ACN+H"	42.033826
"1222556"	340.184226	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+ACN+H"	42.033826
"1204981"	170.595751	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+ACN+2H"	43.041102
"200769"	641.27196	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+2Na-H"	44.97116
"641422"	939.42236	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+2Na-H"	44.97116
"1141279"	343.12156	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2Na-H"	44.97116
"183113"	321.139618	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+2Na"	45.978436
"621580"	470.214818	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+2Na"	45.978436
"1125449"	172.064418	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2Na"	45.978436
"1405693"	115.045370666667	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H+2Na"	46.985712
"1440359"	345.163146	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H+HCOOH"	47.012746
"223131"	326.17264	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+3H2O+2H"	56.04448
"1514475"	359.21519	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+IsoProp+H"	61.06479
"420732"	329.126588	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+Na+K"	61.952376
"781363"	478.201788	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+Na+K"	61.952376
"1674777"	180.051388	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Na+K"	61.952376
"260932"	660.316568	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+ACN+Na"	64.015768
"1234004"	362.166168	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+ACN+Na"	64.015768
"1723619"	362.189693	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+NH4+HCOOH"	64.039293
"1187150"	122.372684666667	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+3Na"	68.967654
"1655951"	367.145088	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Na+HCOOH"	68.994688
"171194"	673.21984	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+2K-H"	76.91904
"605656"	971.37024	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+2K-H"	76.91904
"1097824"	375.06944	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2K-H"	76.91904
"148078"	337.113558	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"2M+2K"	77.926316
"595294"	486.188758	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"3M+2K"	77.926316
"1082965"	188.038358	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2K"	77.926316
"1113988"	377.083992	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2K+H"	78.933592
"1351226"	377.171607	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+DMSO+H"	79.021207
"1020727"	381.210776	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2ACN+H"	83.060376
"1539093"	382.204408	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+IsoProp+Na+H"	84.054008
"994848"	191.109026	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+2ACN+2H"	84.067652
"1600285"	383.119028	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+K+HCOOH"	84.968628
"1422665"	413.150538	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+H+CF3COOH"	115.000138
"1155142"	211.622301	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+3ACN+2H"	125.094202
"1703606"	430.177085	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+NH4+CF3COOH"	132.026685
"1635976"	435.13248	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+Na+CF3COOH"	136.98208
"1573816"	451.10642	"C07172"	"Trimeprazine;Methylpromazine;Alimemazine"	"C18H22N2S"	"298.1504"	"M+K+CF3COOH"	152.95602
"810744"	365.1688	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M"	0
"980997"	346.15041	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-H2O-H"	-19.01839
"73613"	242.438590666667	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M-3H"	-3.021828
"513172"	364.161524	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M-3H"	-3.021828
"888786"	120.715657333333	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-3H"	-3.021828
"1893"	364.161524	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M-2H"	-2.014552
"445834"	546.745924	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M-2H"	-2.014552
"819261"	181.577124	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-2H"	-2.014552
"80350"	729.330324	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M-H"	-1.007276
"518970"	1094.499124	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M-H"	-1.007276
"897339"	364.161524	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-H"	-1.007276
"48066"	746.356871	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M-2H+NH4"	16.019271
"488721"	1111.525671	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M-2H+NH4"	16.019271
"864420"	381.188071	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-2H+NH4"	16.019271
"32239"	751.312266	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M-2H+Na"	20.974666
"472537"	1116.481066	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M-2H+Na"	20.974666
"848641"	386.143466	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-2H+Na"	20.974666
"1619874"	386.143466	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Na-2H"	20.974666
"99683"	382.149863	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M-H+Cl"	33.962126
"543619"	564.734263	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M-H+Cl"	33.962126
"933855"	199.565463	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-H+Cl"	33.962126
"274598"	765.307002	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+Cl"	34.969402
"668114"	1130.475802	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+Cl"	34.969402
"1276148"	400.138202	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Cl"	34.969402
"21984"	767.286206	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M-2H+K"	36.948606
"462637"	1132.455006	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M-2H+K"	36.948606
"842625"	402.117406	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-2H+K"	36.948606
"1563924"	402.117406	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+K-2H"	36.948606
"944516"	410.166994	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-H+HCOOH"	44.998194
"362734"	775.335801	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+HCOOH-H"	44.998201
"349898"	789.351451	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+Hac-H"	59.013851
"1503833"	424.182651	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Hac-H"	59.013851
"965910"	432.148951	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-H+NaCOOH"	66.980151
"117005"	400.138202	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+2Cl"	69.938804
"560939"	582.722602	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+2Cl"	69.938804
"1034843"	217.553802	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2Cl"	69.938804
"1253692"	444.087685	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Br"	78.918885
"1307758"	446.143672	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Cl+HCOOH"	80.974872
"1326347"	468.125629	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Cl+NaCOOH"	102.956829
"915221"	478.154386	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M-H+CF3COOH"	112.985586
"1301416"	514.131064	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Cl+CF3COOH"	148.962264
"1381396"	330.156124	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H-2H2O"	-35.012676
"1394885"	348.1661	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H-H2O"	-17.0027
"295665"	731.344876	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+H"	1.007276
"689180"	1096.513676	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+H"	1.007276
"1361884"	366.176076	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H"	1.007276
"140730"	366.176076	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+2H"	2.014552
"580783"	548.760476	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+2H"	2.014552
"1050066"	183.591676	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2H"	2.014552
"214687"	244.453142666667	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+3H"	3.021828
"652057"	366.176076	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+3H"	3.021828
"1167995"	122.730209333333	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+3H"	3.021828
"430174"	748.371423	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+NH4"	18.033823
"791170"	1113.540223	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+NH4"	18.033823
"1686042"	383.202623	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+NH4"	18.033823
"332864"	374.6893495	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+H+NH4"	19.041099
"729662"	557.2737495	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+H+NH4"	19.041099
"1486397"	192.1049495	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H+NH4"	19.041099
"400701"	753.326818	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+Na"	22.989218
"761696"	1118.495618	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+Na"	22.989218
"1607607"	388.158018	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Na"	22.989218
"320925"	377.167047	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+H+Na"	23.996494
"711162"	559.751447	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+H+Na"	23.996494
"1464252"	194.582647	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H+Na"	23.996494
"1053241"	130.057523333333	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2H+Na"	25.00377
"1260634"	398.202286	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+CH3OH+H"	33.033486
"380669"	769.300758	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+K"	38.963158
"742394"	1134.469558	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+K"	38.963158
"1545906"	404.131958	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+K"	38.963158
"307457"	385.154017	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+H+K"	39.970434
"693319"	567.738417	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+H+K"	39.970434
"1450420"	202.569617	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H+K"	39.970434
"243395"	772.371426	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+ACN+H"	42.033826
"1217200"	407.202626	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+ACN+H"	42.033826
"1202177"	204.104951	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+ACN+2H"	43.041102
"196140"	775.30876	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+2Na-H"	44.97116
"639709"	1140.47756	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+2Na-H"	44.97116
"1138109"	410.13996	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2Na-H"	44.97116
"182493"	388.158018	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+2Na"	45.978436
"617680"	570.742418	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+2Na"	45.978436
"1121185"	205.573618	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2Na"	45.978436
"1404710"	137.384837333333	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H+2Na"	46.985712
"1437917"	412.181546	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H+HCOOH"	47.012746
"221054"	393.19104	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+3H2O+2H"	56.04448
"1511304"	426.23359	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+IsoProp+H"	61.06479
"420478"	396.144988	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+Na+K"	61.952376
"780744"	578.729388	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+Na+K"	61.952376
"1674887"	213.560588	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Na+K"	61.952376
"259219"	794.353368	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+ACN+Na"	64.015768
"1233021"	429.184568	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+ACN+Na"	64.015768
"1723729"	429.208093	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+NH4+HCOOH"	64.039293
"1190907"	144.712151333333	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+3Na"	68.967654
"1660436"	434.163488	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Na+HCOOH"	68.994688
"168389"	807.25664	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+2K-H"	76.91904
"603579"	1172.42544	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+2K-H"	76.91904
"1095747"	442.08784	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2K-H"	76.91904
"149282"	404.131958	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"2M+2K"	77.926316
"591031"	586.716358	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"3M+2K"	77.926316
"1079915"	221.547558	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2K"	77.926316
"1107658"	444.102392	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2K+H"	78.933592
"1348418"	444.190007	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+DMSO+H"	79.021207
"1019133"	448.229176	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2ACN+H"	83.060376
"1535071"	449.222808	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+IsoProp+Na+H"	84.054008
"991311"	224.618226	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+2ACN+2H"	84.067652
"1592741"	450.137428	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+K+HCOOH"	84.968628
"1420589"	480.168938	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+H+CF3COOH"	115.000138
"1153065"	245.131501	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+3ACN+2H"	125.094202
"1700436"	497.195485	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+NH4+CF3COOH"	132.026685
"1634416"	502.15088	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+Na+CF3COOH"	136.98208
"1575020"	518.12482	"C07174"	"Trimethaphan"	"C22H25N2OS"	"365.1688"	"M+K+CF3COOH"	152.95602
"813042"	296.1347	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M"	0
"984388"	277.11631	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-H2O-H"	-19.01839
"75910"	196.415857333333	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M-3H"	-3.021828
"514377"	295.127424	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M-3H"	-3.021828
"891086"	97.7042906666667	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-3H"	-3.021828
"4191"	295.127424	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M-2H"	-2.014552
"444844"	443.194774	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M-2H"	-2.014552
"819371"	147.060074	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-2H"	-2.014552
"79397"	591.262124	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M-H"	-1.007276
"519646"	887.396824	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M-H"	-1.007276
"896477"	295.127424	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-H"	-1.007276
"50367"	608.288671	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M-2H+NH4"	16.019271
"489197"	904.423371	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M-2H+NH4"	16.019271
"865179"	312.153971	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-2H+NH4"	16.019271
"33081"	613.244066	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M-2H+Na"	20.974666
"472037"	909.378766	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M-2H+Na"	20.974666
"849228"	317.109366	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-2H+Na"	20.974666
"1619984"	317.109366	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Na-2H"	20.974666
"97606"	313.115763	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M-H+Cl"	33.962126
"543729"	461.183113	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M-H+Cl"	33.962126
"936152"	165.048413	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-H+Cl"	33.962126
"274708"	627.238802	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+Cl"	34.969402
"670410"	923.373502	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+Cl"	34.969402
"1275529"	331.104102	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Cl"	34.969402
"18814"	629.218006	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M-2H+K"	36.948606
"460560"	925.352706	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M-2H+K"	36.948606
"838361"	333.083306	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-2H+K"	36.948606
"1558567"	333.083306	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+K-2H"	36.948606
"946085"	341.132894	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-H+HCOOH"	44.998194
"364665"	637.267601	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+HCOOH-H"	44.998201
"351101"	651.283251	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+Hac-H"	59.013851
"1501027"	355.148551	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Hac-H"	59.013851
"966020"	363.114851	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-H+NaCOOH"	66.980151
"118208"	331.104102	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+2Cl"	69.938804
"559955"	479.171452	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+2Cl"	69.938804
"1032034"	183.036752	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2Cl"	69.938804
"1253438"	375.053585	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Br"	78.918885
"1308232"	377.109572	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Cl+HCOOH"	80.974872
"1326093"	399.091529	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Cl+NaCOOH"	102.956829
"914966"	409.120286	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M-H+CF3COOH"	112.985586
"1300797"	445.096964	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Cl+CF3COOH"	148.962264
"1381145"	261.122024	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H-2H2O"	-35.012676
"1397185"	279.132	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H-H2O"	-17.0027
"296506"	593.276676	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+H"	1.007276
"689657"	889.411376	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+H"	1.007276
"1364181"	297.141976	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H"	1.007276
"140927"	297.141976	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+2H"	2.014552
"581184"	445.209326	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+2H"	2.014552
"1051148"	149.074626	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2H"	2.014552
"212609"	198.430409333333	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+3H"	3.021828
"653261"	297.141976	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+3H"	3.021828
"1171387"	99.7188426666667	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+3H"	3.021828
"429193"	610.303223	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+NH4"	18.033823
"792374"	906.437923	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+NH4"	18.033823
"1685061"	314.168523	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+NH4"	18.033823
"335527"	305.6552495	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+H+NH4"	19.041099
"728678"	453.7225995	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+H+NH4"	19.041099
"1485413"	157.5878995	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H+NH4"	19.041099
"401178"	615.258618	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+Na"	22.989218
"761806"	911.393318	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+Na"	22.989218
"1608081"	319.123918	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Na"	22.989218
"322128"	308.132947	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+H+Na"	23.996494
"713459"	456.200297	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+H+Na"	23.996494
"1467280"	160.065597	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H+Na"	23.996494
"1059431"	107.046156666667	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2H+Na"	25.00377
"1261110"	329.168186	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+CH3OH+H"	33.033486
"384061"	631.232558	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+K"	38.963158
"745057"	927.367258	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+K"	38.963158
"1544924"	335.097858	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+K"	38.963158
"308660"	316.119917	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+H+K"	39.970434
"692336"	464.187267	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+H+K"	39.970434
"1453811"	168.052567	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H+K"	39.970434
"243506"	634.303226	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+ACN+H"	42.033826
"1216218"	338.168526	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+ACN+H"	42.033826
"1202287"	169.587901	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+ACN+2H"	43.041102
"198439"	637.24056	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+2Na-H"	44.97116
"638727"	933.37526	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+2Na-H"	44.97116
"1139313"	341.10586	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2Na-H"	44.97116
"180418"	319.123918	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+2Na"	45.978436
"622163"	467.191268	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+2Na"	45.978436
"1122389"	171.056568	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2Na"	45.978436
"1404820"	114.373470666667	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H+2Na"	46.985712
"1436934"	343.147446	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H+HCOOH"	47.012746
"225538"	324.15694	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+3H2O+2H"	56.04448
"1511414"	357.19949	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+IsoProp+H"	61.06479
"422898"	327.110888	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+Na+K"	61.952376
"784259"	475.178238	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+Na+K"	61.952376
"1676092"	179.043538	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Na+K"	61.952376
"264068"	656.285168	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+ACN+Na"	64.015768
"1234226"	360.150468	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+ACN+Na"	64.015768
"1727611"	360.173993	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+NH4+HCOOH"	64.039293
"1192476"	121.700784666667	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+3Na"	68.967654
"1656173"	365.129388	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Na+HCOOH"	68.994688
"163034"	669.18844	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+2K-H"	76.91904
"604782"	965.32314	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+2K-H"	76.91904
"1099383"	373.05374	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2K-H"	76.91904
"151579"	335.097858	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"2M+2K"	77.926316
"595514"	483.165208	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"3M+2K"	77.926316
"1080025"	187.030508	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2K"	77.926316
"1111049"	375.068292	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2K+H"	78.933592
"1347434"	375.155907	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+DMSO+H"	79.021207
"1015963"	379.195076	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2ACN+H"	83.060376
"1528620"	380.188708	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+IsoProp+Na+H"	84.054008
"990571"	190.101176	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+2ACN+2H"	84.067652
"1587383"	381.103328	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+K+HCOOH"	84.968628
"1417418"	411.134838	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+H+CF3COOH"	115.000138
"1150987"	210.614451	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+3ACN+2H"	125.094202
"1706014"	428.161385	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+NH4+CF3COOH"	132.026685
"1634228"	433.11678	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+Na+CF3COOH"	136.98208
"1576223"	449.09072	"C07175"	"Methdilazine"	"C18H20N2S"	"296.1347"	"M+K+CF3COOH"	152.95602
"810964"	380.1042	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M"	0
"984497"	361.08581	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-H2O-H"	-19.01839
"72741"	252.395524	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M-3H"	-3.021828
"512303"	379.096924	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M-3H"	-3.021828
"892290"	125.694124	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-3H"	-3.021828
"13051"	379.096924	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M-2H"	-2.014552
"448237"	569.149024	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M-2H"	-2.014552
"819478"	189.044824	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-2H"	-2.014552
"80686"	759.201124	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M-H"	-1.007276
"521218"	1139.305324	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M-H"	-1.007276
"902298"	379.096924	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-H"	-1.007276
"52299"	776.227671	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M-2H+NH4"	16.019271
"489671"	1156.331871	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M-2H+NH4"	16.019271
"867110"	396.123471	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-2H+NH4"	16.019271
"32463"	781.183066	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M-2H+Na"	20.974666
"473122"	1161.287266	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M-2H+Na"	20.974666
"849461"	401.078866	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-2H+Na"	20.974666
"1626655"	401.078866	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Na-2H"	20.974666
"97716"	397.085263	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M-H+Cl"	33.962126
"545664"	587.137363	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M-H+Cl"	33.962126
"938450"	207.033163	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-H+Cl"	33.962126
"275915"	795.177802	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+Cl"	34.969402
"668335"	1175.282002	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+Cl"	34.969402
"1278554"	415.073602	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Cl"	34.969402
"21111"	797.157006	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M-2H+K"	36.948606
"463953"	1177.261206	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M-2H+K"	36.948606
"843575"	417.052806	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-2H+K"	36.948606
"1560865"	417.052806	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+K-2H"	36.948606
"948749"	425.102394	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-H+HCOOH"	44.998194
"365506"	805.206601	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+HCOOH-H"	44.998201
"355223"	819.222251	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+Hac-H"	59.013851
"1497860"	439.118051	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Hac-H"	59.013851
"963945"	447.084351	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-H+NaCOOH"	66.980151
"113944"	415.073602	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+2Cl"	69.938804
"555693"	605.125702	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+2Cl"	69.938804
"1027044"	225.021502	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2Cl"	69.938804
"1247717"	459.023085	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Br"	78.918885
"1306151"	461.079072	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Cl+HCOOH"	80.974872
"1321827"	483.061029	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Cl+NaCOOH"	102.956829
"915072"	493.089786	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M-H+CF3COOH"	112.985586
"1304149"	529.066464	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Cl+CF3COOH"	148.962264
"1382649"	345.091524	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H-2H2O"	-35.012676
"1398024"	363.1015	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H-H2O"	-17.0027
"296616"	761.215676	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+H"	1.007276
"689403"	1141.319876	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+H"	1.007276
"1366481"	381.111476	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H"	1.007276
"139736"	381.111476	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+2H"	2.014552
"579298"	571.163576	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+2H"	2.014552
"1044818"	191.059376	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2H"	2.014552
"211626"	254.410076	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+3H"	3.021828
"649362"	381.111476	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+3H"	3.021828
"1167487"	127.708676	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+3H"	3.021828
"427482"	778.242223	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+NH4"	18.033823
"789570"	1158.346423	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+NH4"	18.033823
"1684078"	398.138023	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+NH4"	18.033823
"337096"	389.6247495	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+H+NH4"	19.041099
"731704"	579.6768495	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+H+NH4"	19.041099
"1484431"	199.5726495	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H+NH4"	19.041099
"400923"	783.197618	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+Na"	22.989218
"760826"	1163.301818	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+Na"	22.989218
"1612202"	403.093418	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Na"	22.989218
"324427"	392.102447	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+H+Na"	23.996494
"715756"	582.154547	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+H+Na"	23.996494
"1468483"	202.050347	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H+Na"	23.996494
"1060637"	135.03599	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2H+Na"	25.00377
"1265596"	413.137686	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+CH3OH+H"	33.033486
"383080"	799.171558	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+K"	38.963158
"745169"	1179.275758	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+K"	38.963158
"1551596"	419.067358	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+K"	38.963158
"309865"	400.089417	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+H+K"	39.970434
"700101"	590.141517	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+H+K"	39.970434
"1451737"	210.037317	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H+K"	39.970434
"240338"	802.242226	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+ACN+H"	42.033826
"1217422"	422.138026	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+ACN+H"	42.033826
"1202398"	211.572651	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+ACN+2H"	43.041102
"201101"	805.17956	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+2Na-H"	44.97116
"637015"	1185.28376	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+2Na-H"	44.97116
"1139427"	425.07536	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2Na-H"	44.97116
"181624"	403.093418	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+2Na"	45.978436
"622274"	593.145518	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+2Na"	45.978436
"1123592"	213.041318	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2Na"	45.978436
"1407116"	142.363304	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H+2Na"	46.985712
"1438139"	427.116946	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H+HCOOH"	47.012746
"224552"	408.12644	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+3H2O+2H"	56.04448
"1510064"	441.16899	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+IsoProp+H"	61.06479
"421792"	411.080388	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+Na+K"	61.952376
"776590"	601.132488	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+Na+K"	61.952376
"1674013"	221.028288	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Na+K"	61.952376
"258346"	824.224168	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+ACN+Na"	64.015768
"1236522"	444.119968	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+ACN+Na"	64.015768
"1725409"	444.143493	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+NH4+HCOOH"	64.039293
"1189305"	149.690618	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+3Na"	68.967654
"1654097"	449.098888	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Na+HCOOH"	68.994688
"165333"	837.12744	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+2K-H"	76.91904
"605987"	1217.23164	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+2K-H"	76.91904
"1095966"	457.02324	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2K-H"	76.91904
"151690"	419.067358	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"2M+2K"	77.926316
"595261"	609.119458	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"3M+2K"	77.926316
"1081960"	229.015258	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2K"	77.926316
"1105690"	459.037792	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2K+H"	78.933592
"1347543"	459.125407	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+DMSO+H"	79.021207
"1011699"	463.164576	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2ACN+H"	83.060376
"1525814"	464.158208	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+IsoProp+Na+H"	84.054008
"995180"	232.085926	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+2ACN+2H"	84.067652
"1596243"	465.072828	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+K+HCOOH"	84.968628
"1424089"	495.104338	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+H+CF3COOH"	115.000138
"1157657"	252.599201	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+3ACN+2H"	125.094202
"1708303"	512.130885	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+NH4+CF3COOH"	132.026685
"1640681"	517.08628	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+Na+CF3COOH"	136.98208
"1576333"	533.06022	"C07177"	"Methicillin"	"C17H20N2O6S"	"380.1042"	"M+K+CF3COOH"	152.95602
"811074"	388.1998	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M"	0
"984607"	369.18141	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-H2O-H"	-19.01839
"71758"	257.792590666667	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M-3H"	-3.021828
"513506"	387.192524	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M-3H"	-3.021828
"892399"	128.392657333333	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-3H"	-3.021828
"14254"	387.192524	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M-2H"	-2.014552
"451630"	581.292424	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M-2H"	-2.014552
"819588"	193.092624	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-2H"	-2.014552
"85047"	775.392324	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M-H"	-1.007276
"523515"	1163.592124	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M-H"	-1.007276
"902411"	387.192524	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-H"	-1.007276
"54597"	792.418871	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M-2H+NH4"	16.019271
"490151"	1180.618671	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M-2H+NH4"	16.019271
"867951"	404.219071	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-2H+NH4"	16.019271
"32451"	797.374266	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M-2H+Na"	20.974666
"474083"	1185.574066	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M-2H+Na"	20.974666
"850788"	409.174466	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-2H+Na"	20.974666
"1624578"	409.174466	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Na-2H"	20.974666
"100013"	405.180863	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M-H+Cl"	33.962126
"545774"	599.280763	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M-H+Cl"	33.962126
"938560"	211.080963	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-H+Cl"	33.962126
"274932"	811.369002	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+Cl"	34.969402
"667352"	1199.568802	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+Cl"	34.969402
"1277570"	423.169202	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Cl"	34.969402
"21221"	813.348206	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M-2H+K"	36.948606
"461876"	1201.548006	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M-2H+K"	36.948606
"842956"	425.148406	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-2H+K"	36.948606
"1566443"	425.148406	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+K-2H"	36.948606
"948859"	433.197994	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-H+HCOOH"	44.998194
"365616"	821.397801	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+HCOOH-H"	44.998201
"357521"	835.413451	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+Hac-H"	59.013851
"1500886"	447.213651	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Hac-H"	59.013851
"964055"	455.179951	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-H+NaCOOH"	66.980151
"114054"	423.169202	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+2Cl"	69.938804
"554711"	617.269102	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+2Cl"	69.938804
"1025696"	229.069302	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2Cl"	69.938804
"1245273"	467.118685	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Br"	78.918885
"1307353"	469.174672	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Cl+HCOOH"	80.974872
"1321326"	491.156629	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Cl+NaCOOH"	102.956829
"919555"	501.185386	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M-H+CF3COOH"	112.985586
"1301743"	537.162064	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Cl+CF3COOH"	148.962264
"1380633"	353.187124	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H-2H2O"	-35.012676
"1397040"	371.1971	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H-H2O"	-17.0027
"296726"	777.406876	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+H"	1.007276
"689514"	1165.606676	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+H"	1.007276
"1365862"	389.207076	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H"	1.007276
"136566"	389.207076	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+2H"	2.014552
"579408"	583.306976	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+2H"	2.014552
"1042743"	195.107176	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2H"	2.014552
"208821"	259.807142666667	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+3H"	3.021828
"646193"	389.207076	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+3H"	3.021828
"1166140"	130.407209333333	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+3H"	3.021828
"427228"	794.433423	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+NH4"	18.033823
"787858"	1182.633223	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+NH4"	18.033823
"1682002"	406.233623	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+NH4"	18.033823
"336113"	397.7203495	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+H+NH4"	19.041099
"731814"	591.8202495	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+H+NH4"	19.041099
"1483446"	203.6204495	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H+NH4"	19.041099
"398847"	799.388818	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+Na"	22.989218
"764216"	1187.588618	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+Na"	22.989218
"1611219"	411.189018	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Na"	22.989218
"324537"	400.198047	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+H+Na"	23.996494
"713680"	594.297947	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+H+Na"	23.996494
"1468593"	206.098147	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H+Na"	23.996494
"1059653"	137.734523333333	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2H+Na"	25.00377
"1264612"	421.233286	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+CH3OH+H"	33.033486
"383189"	815.362758	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+K"	38.963158
"744185"	1203.562558	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+K"	38.963158
"1549519"	427.162958	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+K"	38.963158
"308881"	408.185017	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+H+K"	39.970434
"699119"	602.284917	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+H+K"	39.970434
"1455129"	214.085117	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H+K"	39.970434
"241541"	818.433426	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+ACN+H"	42.033826
"1216438"	430.233626	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+ACN+H"	42.033826
"1201415"	215.620451	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+ACN+2H"	43.041102
"200483"	821.37076	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+2Na-H"	44.97116
"642233"	1209.57056	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+2Na-H"	44.97116
"1140630"	433.17096	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2Na-H"	44.97116
"183557"	411.189018	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+2Na"	45.978436
"627489"	605.288918	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+2Na"	45.978436
"1128806"	217.089118	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2Na"	45.978436
"1411599"	145.061837333333	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H+2Na"	46.985712
"1442260"	435.212546	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H+HCOOH"	47.012746
"229037"	416.22204	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+3H2O+2H"	56.04448
"1514913"	449.26459	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+IsoProp+H"	61.06479
"420078"	419.175988	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+Na+K"	61.952376
"776700"	613.275888	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+Na+K"	61.952376
"1671937"	225.076088	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Na+K"	61.952376
"258456"	840.415368	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+ACN+Na"	64.015768
"1233352"	452.215568	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+ACN+Na"	64.015768
"1724061"	452.239093	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+NH4+HCOOH"	64.039293
"1188686"	152.389151333333	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+3Na"	68.967654
"1654206"	457.194488	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Na+HCOOH"	68.994688
"165443"	853.31864	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+2K-H"	76.91904
"606097"	1241.51844	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+2K-H"	76.91904
"1098263"	465.11884	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2K-H"	76.91904
"151800"	427.162958	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"2M+2K"	77.926316
"595372"	621.262858	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"3M+2K"	77.926316
"1082434"	233.063058	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2K"	77.926316
"1109080"	467.133392	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2K+H"	78.933592
"1345465"	467.221007	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+DMSO+H"	79.021207
"1015089"	471.260176	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2ACN+H"	83.060376
"1527016"	472.253808	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+IsoProp+Na+H"	84.054008
"993103"	236.133726	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+2ACN+2H"	84.067652
"1591980"	473.168428	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+K+HCOOH"	84.968628
"1424199"	503.199938	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+H+CF3COOH"	115.000138
"1154487"	256.647001	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+3ACN+2H"	125.094202
"1710600"	520.226485	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+NH4+CF3COOH"	132.026685
"1635323"	525.18188	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+Na+CF3COOH"	136.98208
"1573163"	541.15582	"C07178"	"Trimethobenzamide"	"C21H28N2O5"	"388.1998"	"M+K+CF3COOH"	152.95602
"816972"	255.1735	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M"	0
"989581"	236.15511	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-H2O-H"	-19.01839
"76245"	169.108390666667	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M-3H"	-3.021828
"516896"	254.166224	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M-3H"	-3.021828
"893603"	84.0505573333333	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-3H"	-3.021828
"15561"	254.166224	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M-2H"	-2.014552
"454658"	381.752974	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M-2H"	-2.014552
"822980"	126.579474	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-2H"	-2.014552
"89167"	509.339724	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M-H"	-1.007276
"525813"	764.513224	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M-H"	-1.007276
"906894"	254.166224	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-H"	-1.007276
"53617"	526.366271	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M-2H+NH4"	16.019271
"489897"	781.539771	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M-2H+NH4"	16.019271
"865636"	271.192771	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-2H+NH4"	16.019271
"37790"	531.321666	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M-2H+Na"	20.974666
"474193"	786.495166	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M-2H+Na"	20.974666
"850780"	276.148166	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-2H+Na"	20.974666
"1630157"	276.148166	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Na-2H"	20.974666
"105591"	272.154563	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M-H+Cl"	33.962126
"547344"	399.741313	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M-H+Cl"	33.962126
"940131"	144.567813	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-H+Cl"	33.962126
"279053"	545.316402	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+Cl"	34.969402
"669285"	800.489902	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+Cl"	34.969402
"1283150"	290.142902	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Cl"	34.969402
"27892"	547.295606	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M-2H+K"	36.948606
"466361"	802.469106	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M-2H+K"	36.948606
"843068"	292.122106	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-2H+K"	36.948606
"1565464"	292.122106	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+K-2H"	36.948606
"952249"	300.171694	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-H+HCOOH"	44.998194
"368279"	555.345201	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+HCOOH-H"	44.998201
"356902"	569.360851	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+Hac-H"	59.013851
"1500994"	314.187351	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Hac-H"	59.013851
"968539"	322.153651	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-H+NaCOOH"	66.980151
"123278"	290.142902	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+2Cl"	69.938804
"562474"	417.729652	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+2Cl"	69.938804
"1030182"	162.556152	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2Cl"	69.938804
"1248666"	334.092385	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Br"	78.918885
"1307466"	336.148372	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Cl+HCOOH"	80.974872
"1322779"	358.130329	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Cl+NaCOOH"	102.956829
"924040"	368.159086	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M-H+CF3COOH"	112.985586
"1296385"	404.135764	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Cl+CF3COOH"	148.962264
"1380015"	220.160824	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H-2H2O"	-35.012676
"1397394"	238.1708	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H-H2O"	-17.0027
"297569"	511.354276	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+H"	1.007276
"681971"	766.527776	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+H"	1.007276
"1358319"	256.180776	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H"	1.007276
"137772"	256.180776	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+2H"	2.014552
"572959"	383.767526	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+2H"	2.014552
"1043947"	128.594026	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2H"	2.014552
"209661"	171.122942666667	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+3H"	3.021828
"649221"	256.180776	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+3H"	3.021828
"1165524"	86.0651093333333	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+3H"	3.021828
"430255"	528.380823	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+NH4"	18.033823
"787967"	783.554323	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+NH4"	18.033823
"1683933"	273.207323	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+NH4"	18.033823
"333306"	264.6940495	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+H+NH4"	19.041099
"734112"	392.2807995	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+H+NH4"	19.041099
"1482464"	137.1072995	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H+NH4"	19.041099
"396403"	533.336218	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+Na"	22.989218
"757398"	788.509718	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+Na"	22.989218
"1608051"	278.162718	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Na"	22.989218
"322461"	267.171747	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+H+Na"	23.996494
"717067"	394.758497	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+H+Na"	23.996494
"1466516"	139.584997	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H+Na"	23.996494
"1056484"	93.3924233333333	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2H+Na"	25.00377
"1261441"	288.206986	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+CH3OH+H"	33.033486
"383297"	549.310158	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+K"	38.963158
"743200"	804.483658	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+K"	38.963158
"1545254"	294.136658	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+K"	38.963158
"306805"	275.158717	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+H+K"	39.970434
"700320"	402.745467	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+H+K"	39.970434
"1455234"	147.571967	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H+K"	39.970434
"241652"	552.380826	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+ACN+H"	42.033826
"1216548"	297.207326	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+ACN+H"	42.033826
"1205899"	149.107301	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+ACN+2H"	43.041102
"201687"	555.31816	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+2Na-H"	44.97116
"642704"	810.49166	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+2Na-H"	44.97116
"1146574"	300.14466	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2Na-H"	44.97116
"185854"	278.162718	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+2Na"	45.978436
"627966"	405.749468	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+2Na"	45.978436
"1130011"	150.575968	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2Na"	45.978436
"1413132"	100.719737333333	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H+2Na"	46.985712
"1443100"	302.186246	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H+HCOOH"	47.012746
"229150"	283.19574	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+3H2O+2H"	56.04448
"1520492"	316.23829	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+IsoProp+H"	61.06479
"421285"	286.149688	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+Na+K"	61.952376
"781914"	413.736438	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+Na+K"	61.952376
"1675329"	158.562938	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Na+K"	61.952376
"265494"	574.362768	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+ACN+Na"	64.015768
"1232370"	319.189268	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+ACN+Na"	64.015768
"1726724"	319.212793	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+NH4+HCOOH"	64.039293
"1187704"	108.047051333333	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+3Na"	68.967654
"1659785"	324.168188	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Na+HCOOH"	68.994688
"172115"	587.26604	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+2K-H"	76.91904
"611800"	842.43954	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+2K-H"	76.91904
"1098373"	332.09254	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2K-H"	76.91904
"155190"	294.136658	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"2M+2K"	77.926316
"595725"	421.723408	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"3M+2K"	77.926316
"1083763"	166.549908	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2K"	77.926316
"1111378"	334.107092	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2K+H"	78.933592
"1345576"	334.194707	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+DMSO+H"	79.021207
"1018480"	338.233876	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2ACN+H"	83.060376
"1532230"	339.227508	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+IsoProp+Na+H"	84.054008
"998680"	169.620576	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+2ACN+2H"	84.067652
"1596465"	340.142128	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+K+HCOOH"	84.968628
"1427590"	370.173638	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+H+CF3COOH"	115.000138
"1161158"	190.133851	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+3ACN+2H"	125.094202
"1708523"	387.200185	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+NH4+CF3COOH"	132.026685
"1635797"	392.15558	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+Na+CF3COOH"	136.98208
"1573273"	408.12952	"C07180"	"Tripelennamine"	"C16H21N3"	"255.1735"	"M+K+CF3COOH"	152.95602
"811294"	121.0739	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M"	0
"989327"	102.05551	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-H2O-H"	-19.01839
"77204"	79.7086573333333	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M-3H"	-3.021828
"517861"	120.066624	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M-3H"	-3.021828
"894564"	39.3506906666667	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-3H"	-3.021828
"13989"	120.066624	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M-2H"	-2.014552
"454038"	180.603574	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M-2H"	-2.014552
"825276"	59.529674	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-2H"	-2.014552
"89642"	241.140524	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M-H"	-1.007276
"525923"	362.214424	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M-H"	-1.007276
"903723"	120.066624	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-H"	-1.007276
"57009"	258.167071	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M-2H+NH4"	16.019271
"491103"	379.240971	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M-2H+NH4"	16.019271
"868905"	137.093171	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-2H+NH4"	16.019271
"37900"	263.122466	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M-2H+Na"	20.974666
"478556"	384.196366	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M-2H+Na"	20.974666
"854170"	142.048566	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-2H+Na"	20.974666
"1625893"	142.048566	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Na-2H"	20.974666
"100234"	138.054963	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M-H+Cl"	33.962126
"547090"	198.591913	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M-H+Cl"	33.962126
"940971"	77.518013	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-H+Cl"	33.962126
"279891"	277.117202	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+Cl"	34.969402
"668666"	398.191102	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+Cl"	34.969402
"1283260"	156.043302	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Cl"	34.969402
"25451"	279.096406	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M-2H+K"	36.948606
"465375"	400.170306	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M-2H+K"	36.948606
"843175"	158.022506	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-2H+K"	36.948606
"1566666"	158.022506	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+K-2H"	36.948606
"949079"	166.072094	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-H+HCOOH"	44.998194
"366202"	287.146001	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+HCOOH-H"	44.998201
"357376"	301.161651	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+Hac-H"	59.013851
"1500011"	180.087751	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Hac-H"	59.013851
"971567"	188.054051	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-H+NaCOOH"	66.980151
"122295"	156.043302	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+2Cl"	69.938804
"564043"	216.580252	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+2Cl"	69.938804
"1033938"	95.506352	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2Cl"	69.938804
"1252056"	199.992785	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Br"	78.918885
"1308670"	202.048772	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Cl+HCOOH"	80.974872
"1327628"	224.030729	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Cl+NaCOOH"	102.956829
"921962"	234.059486	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M-H+CF3COOH"	112.985586
"1297588"	270.036164	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Cl+CF3COOH"	148.962264
"1380854"	86.061224	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H-2H2O"	-35.012676
"1393246"	104.0712	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H-H2O"	-17.0027
"298413"	243.155076	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+H"	1.007276
"688642"	364.228976	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+H"	1.007276
"1365719"	122.081176	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H"	1.007276
"140920"	122.081176	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+2H"	2.014552
"581294"	182.618126	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+2H"	2.014552
"1046245"	61.544226	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2H"	2.014552
"214145"	81.7232093333333	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+3H"	3.021828
"652612"	122.081176	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+3H"	3.021828
"1168550"	41.3652426666667	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+3H"	3.021828
"432917"	260.181623	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+NH4"	18.033823
"788078"	381.255523	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+NH4"	18.033823
"1685867"	139.107723	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+NH4"	18.033823
"339614"	130.5944495	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+H+NH4"	19.041099
"735316"	191.1313995	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+H+NH4"	19.041099
"1486947"	70.0574995	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H+NH4"	19.041099
"402346"	265.137018	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+Na"	22.989218
"764437"	386.210918	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+Na"	22.989218
"1615814"	144.063118	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Na"	22.989218
"326943"	133.072147	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+H+Na"	23.996494
"719364"	193.609097	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+H+Na"	23.996494
"1471001"	72.535197	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H+Na"	23.996494
"1060966"	48.6925566666667	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2H+Na"	25.00377
"1262645"	154.107386	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+CH3OH+H"	33.033486
"385595"	281.110958	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+K"	38.963158
"748778"	402.184858	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+K"	38.963158
"1550831"	160.037058	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+K"	38.963158
"310926"	141.059117	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+H+K"	39.970434
"702618"	201.596067	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+H+K"	39.970434
"1458260"	80.522167	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H+K"	39.970434
"245041"	284.181626	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+ACN+H"	42.033826
"1223583"	163.107726	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+ACN+H"	42.033826
"1208197"	82.057501	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+ACN+2H"	43.041102
"202408"	287.11896	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+2Na-H"	44.97116
"644139"	408.19286	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+2Na-H"	44.97116
"1146084"	166.04506	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2Na-H"	44.97116
"188034"	144.063118	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+2Na"	45.978436
"628162"	204.600068	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+2Na"	45.978436
"1130609"	83.526168	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2Na"	45.978436
"1413933"	56.0198706666667	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H+2Na"	46.985712
"1444994"	168.086646	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H+HCOOH"	47.012746
"234001"	149.09614	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+3H2O+2H"	56.04448
"1523160"	182.13869	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+IsoProp+H"	61.06479
"423542"	152.050088	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+Na+K"	61.952376
"783118"	212.587038	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+Na+K"	61.952376
"1676532"	91.513138	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Na+K"	61.952376
"265968"	306.163568	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+ACN+Na"	64.015768
"1236854"	185.089668	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+ACN+Na"	64.015768
"1724646"	185.113193	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+NH4+HCOOH"	64.039293
"1191096"	63.3471846666667	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+3Na"	68.967654
"1657709"	190.068588	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Na+HCOOH"	68.994688
"171983"	319.06684	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+2K-H"	76.91904
"611421"	440.14074	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+2K-H"	76.91904
"1099458"	197.99294	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2K-H"	76.91904
"155300"	160.037058	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"2M+2K"	77.926316
"596447"	220.574008	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"3M+2K"	77.926316
"1084077"	99.500108	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2K"	77.926316
"1110395"	200.007492	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2K+H"	78.933592
"1350061"	200.095107	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+DMSO+H"	79.021207
"1020055"	204.134276	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2ACN+H"	83.060376
"1535621"	205.127908	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+IsoProp+Na+H"	84.054008
"1002070"	102.570776	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+2ACN+2H"	84.067652
"1599855"	206.042528	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+K+HCOOH"	84.968628
"1429767"	236.074038	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+H+CF3COOH"	115.000138
"1160175"	123.084051	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+3ACN+2H"	125.094202
"1708633"	253.100585	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+NH4+CF3COOH"	132.026685
"1635907"	258.05598	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+Na+CF3COOH"	136.98208
"1573383"	274.02992	"C07182"	"Tromethamine;2-Amino-2-(hydroxymethyl)-13-propanediol;Trometamol"	"C4H11NO3"	"121.0739"	"M+K+CF3COOH"	152.95602
"811404"	360.1313	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M"	0
"988220"	341.11291	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-H2O-H"	-19.01839
"74277"	239.080257333333	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M-3H"	-3.021828
"513839"	359.124024	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M-3H"	-3.021828
"893826"	119.036490666667	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-3H"	-3.021828
"14831"	359.124024	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M-2H"	-2.014552
"448681"	539.189674	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M-2H"	-2.014552
"830129"	179.058374	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-2H"	-2.014552
"86473"	719.255324	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M-H"	-1.007276
"520568"	1079.386624	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M-H"	-1.007276
"902742"	359.124024	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-H"	-1.007276
"52745"	736.281871	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M-2H+NH4"	16.019271
"488176"	1096.413171	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M-2H+NH4"	16.019271
"865737"	376.150571	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-2H+NH4"	16.019271
"32785"	741.237266	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M-2H+Na"	20.974666
"476481"	1101.368566	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M-2H+Na"	20.974666
"854281"	381.105966	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-2H+Na"	20.974666
"1631474"	381.105966	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Na-2H"	20.974666
"105815"	377.112363	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M-H+Cl"	33.962126
"545012"	557.178013	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M-H+Cl"	33.962126
"939988"	197.046713	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-H+Cl"	33.962126
"278543"	755.232002	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+Cl"	34.969402
"670965"	1115.363302	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+Cl"	34.969402
"1282273"	395.100702	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Cl"	34.969402
"23738"	757.211206	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M-2H+K"	36.948606
"466217"	1117.342506	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M-2H+K"	36.948606
"839639"	397.079906	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-2H+K"	36.948606
"1563496"	397.079906	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+K-2H"	36.948606
"948097"	405.129494	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-H+HCOOH"	44.998194
"368500"	765.260801	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+HCOOH-H"	44.998201
"355663"	779.276451	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+Hac-H"	59.013851
"1503403"	419.145151	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Hac-H"	59.013851
"970948"	427.111451	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-H+NaCOOH"	66.980151
"123503"	395.100702	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+2Cl"	69.938804
"563424"	575.166352	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+2Cl"	69.938804
"1031498"	215.035052	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2Cl"	69.938804
"1252168"	439.050185	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Br"	78.918885
"1316438"	441.106172	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Cl+HCOOH"	80.974872
"1329923"	463.088129	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Cl+NaCOOH"	102.956829
"921345"	473.116886	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M-H+CF3COOH"	112.985586
"1299885"	509.093564	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Cl+CF3COOH"	148.962264
"1382058"	325.118624	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H-2H2O"	-35.012676
"1394449"	343.1286	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H-H2O"	-17.0027
"297426"	721.269876	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+H"	1.007276
"688752"	1081.401176	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+H"	1.007276
"1366317"	361.138576	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H"	1.007276
"139816"	361.138576	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+2H"	2.014552
"579376"	541.204226	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+2H"	2.014552
"1046356"	181.072926	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2H"	2.014552
"212069"	241.094809333333	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+3H"	3.021828
"651629"	361.138576	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+3H"	3.021828
"1167567"	121.051042666667	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+3H"	3.021828
"429017"	738.296423	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+NH4"	18.033823
"788552"	1098.427723	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+NH4"	18.033823
"1691446"	378.165123	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+NH4"	18.033823
"335350"	369.6518495	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+H+NH4"	19.041099
"735425"	549.7174995	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+H+NH4"	19.041099
"1487059"	189.5861995	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H+NH4"	19.041099
"402459"	743.251818	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+Na"	22.989218
"766732"	1103.383118	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+Na"	22.989218
"1613737"	383.120518	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Na"	22.989218
"326691"	372.129547	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+H+Na"	23.996494
"719473"	552.195197	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+H+Na"	23.996494
"1467831"	192.063897	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H+Na"	23.996494
"1057795"	128.378356666667	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2H+Na"	25.00377
"1260567"	393.164786	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+CH3OH+H"	33.033486
"381331"	759.225758	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+K"	38.963158
"744514"	1119.357058	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+K"	38.963158
"1545477"	399.094458	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+K"	38.963158
"305933"	380.116517	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+H+K"	39.970434
"701636"	560.182167	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+H+K"	39.970434
"1459105"	200.050867	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H+K"	39.970434
"245151"	762.296426	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+ACN+H"	42.033826
"1219683"	402.165126	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+ACN+H"	42.033826
"1208306"	201.586201	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+ACN+2H"	43.041102
"201908"	765.23376	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+2Na-H"	44.97116
"642323"	1125.36506	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+2Na-H"	44.97116
"1145100"	405.10246	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2Na-H"	44.97116
"187657"	383.120518	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+2Na"	45.978436
"627217"	563.186168	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+2Na"	45.978436
"1129506"	203.054868	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2Na"	45.978436
"1410114"	135.705670666667	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H+2Na"	46.985712
"1442594"	407.144046	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H+HCOOH"	47.012746
"232289"	388.15354	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+3H2O+2H"	56.04448
"1523026"	421.19609	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+IsoProp+H"	61.06479
"423328"	391.107488	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+Na+K"	61.952376
"783228"	571.173138	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+Na+K"	61.952376
"1678103"	211.041838	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Na+K"	61.952376
"265349"	784.278368	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+ACN+Na"	64.015768
"1233684"	424.147068	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+ACN+Na"	64.015768
"1722571"	424.170593	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+NH4+HCOOH"	64.039293
"1184646"	143.032984666667	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+3Na"	68.967654
"1661099"	429.125988	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Na+HCOOH"	68.994688
"170148"	797.18164	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+2K-H"	76.91904
"609708"	1157.31294	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+2K-H"	76.91904
"1097258"	437.05034	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2K-H"	76.91904
"155777"	399.094458	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"2M+2K"	77.926316
"594611"	579.160108	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"3M+2K"	77.926316
"1082402"	219.028808	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2K"	77.926316
"1112692"	439.064892	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2K+H"	78.933592
"1349078"	439.152507	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+DMSO+H"	79.021207
"1019678"	443.191676	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2ACN+H"	83.060376
"1538896"	444.185308	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+IsoProp+Na+H"	84.054008
"1001086"	222.099476	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+2ACN+2H"	84.067652
"1602150"	445.099928	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+K+HCOOH"	84.968628
"1429513"	475.131438	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+H+CF3COOH"	115.000138
"1161378"	242.612751	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+3ACN+2H"	125.094202
"1702186"	492.157985	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+NH4+CF3COOH"	132.026685
"1638934"	497.11338	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+Na+CF3COOH"	136.98208
"1574584"	513.08732	"C07184"	"Valacyclovir;Valacyclovir hydrochloride;BW 256U87"	"C13H20N6O4HCl"	"360.1313"	"M+K+CF3COOH"	152.95602
"813706"	144.115	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M"	0
"986145"	125.09661	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-H2O-H"	-19.01839
"76575"	95.0693906666667	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M-3H"	-3.021828
"517837"	143.107724	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M-3H"	-3.021828
"893936"	47.0310573333333	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-3H"	-3.021828
"9232"	143.107724	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M-2H"	-2.014552
"447698"	215.165224	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M-2H"	-2.014552
"825500"	71.050224	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-2H"	-2.014552
"84395"	287.222724	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M-H"	-1.007276
"526145"	431.337724	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M-H"	-1.007276
"898480"	143.107724	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-H"	-1.007276
"48847"	304.249271	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M-2H+NH4"	16.019271
"494609"	448.364271	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M-2H+NH4"	16.019271
"869130"	160.134271	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-2H+NH4"	16.019271
"40313"	309.204666	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M-2H+Na"	20.974666
"474404"	453.319666	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M-2H+Na"	20.974666
"860228"	165.089666	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-2H+Na"	20.974666
"1628304"	165.089666	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Na-2H"	20.974666
"104834"	161.096063	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M-H+Cl"	33.962126
"545488"	233.153563	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M-H+Cl"	33.962126
"940097"	89.038563	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-H+Cl"	33.962126
"276467"	323.199402	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+Cl"	34.969402
"668891"	467.314402	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+Cl"	34.969402
"1281294"	179.084402	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Cl"	34.969402
"29930"	325.178606	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M-2H+K"	36.948606
"465599"	469.293606	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M-2H+K"	36.948606
"842307"	181.063606	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-2H+K"	36.948606
"1565793"	181.063606	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+K-2H"	36.948606
"949302"	189.113194	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-H+HCOOH"	44.998194
"371889"	333.228201	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+HCOOH-H"	44.998201
"354682"	347.243851	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+Hac-H"	59.013851
"1504611"	203.128851	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Hac-H"	59.013851
"971061"	211.095151	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-H+NaCOOH"	66.980151
"121062"	179.084402	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+2Cl"	69.938804
"561716"	251.141902	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+2Cl"	69.938804
"1032701"	107.026902	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2Cl"	69.938804
"1247906"	223.033885	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Br"	78.918885
"1310353"	225.089872	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Cl+HCOOH"	80.974872
"1330037"	247.071829	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Cl+NaCOOH"	102.956829
"924739"	257.100586	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M-H+CF3COOH"	112.985586
"1301088"	293.077264	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Cl+CF3COOH"	148.962264
"1380716"	109.102324	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H-2H2O"	-35.012676
"1397122"	127.1123	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H-H2O"	-17.0027
"294254"	289.237276	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+H"	1.007276
"683396"	433.352276	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+H"	1.007276
"1363027"	145.122276	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H"	1.007276
"135917"	145.122276	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+2H"	2.014552
"571467"	217.179776	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+2H"	2.014552
"1047557"	73.064776	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2H"	2.014552
"213271"	97.0839426666667	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+3H"	3.021828
"648094"	145.122276	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+3H"	3.021828
"1168771"	49.0456093333333	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+3H"	3.021828
"428763"	306.263823	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+NH4"	18.033823
"787205"	450.378823	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+NH4"	18.033823
"1684264"	162.148823	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+NH4"	18.033823
"334365"	153.6355495	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+H+NH4"	19.041099
"728974"	225.6930495	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+H+NH4"	19.041099
"1488261"	81.5780495	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H+NH4"	19.041099
"405847"	311.219218	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+Na"	22.989218
"765749"	455.334218	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+Na"	22.989218
"1610567"	167.104218	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Na"	22.989218
"326072"	156.113247	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+H+Na"	23.996494
"714121"	228.170747	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+H+Na"	23.996494
"1462835"	84.055747	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H+Na"	23.996494
"1055716"	56.3729233333333	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2H+Na"	25.00377
"1261773"	177.148486	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+CH3OH+H"	33.033486
"380349"	327.193158	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+K"	38.963158
"746813"	471.308158	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+K"	38.963158
"1551785"	183.078158	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+K"	38.963158
"311513"	164.100217	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+H+K"	39.970434
"701746"	236.157717	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+H+K"	39.970434
"1458486"	92.042717	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H+K"	39.970434
"247084"	330.263826	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+ACN+H"	42.033826
"1222711"	186.148826	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+ACN+H"	42.033826
"1206596"	93.578051	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+ACN+2H"	43.041102
"202018"	333.20116	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+2Na-H"	44.97116
"643041"	477.31616	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+2Na-H"	44.97116
"1145811"	189.08616	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2Na-H"	44.97116
"185458"	167.104218	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+2Na"	45.978436
"626840"	239.161718	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+2Na"	45.978436
"1126332"	95.046718	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2Na"	45.978436
"1408762"	63.7002373333333	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H+2Na"	46.985712
"1433592"	191.127746	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H+HCOOH"	47.012746
"228025"	172.13724	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+3H2O+2H"	56.04448
"1516452"	205.17979	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+IsoProp+H"	61.06479
"419428"	175.091188	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+Na+K"	61.952376
"782609"	247.148688	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+Na+K"	61.952376
"1671287"	103.033688	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Na+K"	61.952376
"256713"	352.245768	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+ACN+Na"	64.015768
"1234887"	208.130768	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+ACN+Na"	64.015768
"1721588"	208.154293	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+NH4+HCOOH"	64.039293
"1192410"	71.0275513333333	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+3Na"	68.967654
"1663761"	213.109688	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Na+HCOOH"	68.994688
"168803"	365.14904	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+2K-H"	76.91904
"609459"	509.26404	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+2K-H"	76.91904
"1094702"	221.03404	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2K-H"	76.91904
"149695"	183.078158	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"2M+2K"	77.926316
"592174"	255.135658	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"3M+2K"	77.926316
"1078873"	111.020658	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2K"	77.926316
"1111353"	223.048592	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2K+H"	78.933592
"1345914"	223.136207	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+DMSO+H"	79.021207
"1017724"	227.175376	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2ACN+H"	83.060376
"1537671"	228.169008	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+IsoProp+Na+H"	84.054008
"1004116"	114.091326	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+2ACN+2H"	84.067652
"1601534"	229.083628	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+K+HCOOH"	84.968628
"1428652"	259.115138	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+H+CF3COOH"	115.000138
"1153839"	134.604601	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+3ACN+2H"	125.094202
"1701206"	276.141685	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+NH4+CF3COOH"	132.026685
"1642326"	281.09708	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+Na+CF3COOH"	136.98208
"1581259"	297.07102	"C07185"	"Valproic acid"	"C8H16O2"	"144.115"	"M+K+CF3COOH"	152.95602
"811624"	277.2042	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M"	0
"987345"	258.18581	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-H2O-H"	-19.01839
"75589"	183.795524	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M-3H"	-3.021828
"517335"	276.196924	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M-3H"	-3.021828
"888577"	91.394124	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-3H"	-3.021828
"14809"	276.196924	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M-2H"	-2.014552
"446716"	414.799024	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M-2H"	-2.014552
"824516"	137.594824	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-2H"	-2.014552
"83412"	553.401124	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M-H"	-1.007276
"527348"	830.605324	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M-H"	-1.007276
"900776"	276.196924	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-H"	-1.007276
"49688"	570.427671	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M-2H+NH4"	16.019271
"494719"	847.631871	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M-2H+NH4"	16.019271
"870333"	293.223471	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-2H+NH4"	16.019271
"40423"	575.383066	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M-2H+Na"	20.974666
"472812"	852.587266	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M-2H+Na"	20.974666
"861066"	298.178866	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-2H+Na"	20.974666
"1626227"	298.178866	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Na-2H"	20.974666
"102756"	294.185263	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M-H+Cl"	33.962126
"545598"	432.787363	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M-H+Cl"	33.962126
"941059"	155.583163	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-H+Cl"	33.962126
"278765"	589.377802	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+Cl"	34.969402
"673498"	866.582002	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+Cl"	34.969402
"1285414"	312.173602	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Cl"	34.969402
"30527"	591.357006	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M-2H+K"	36.948606
"465709"	868.561206	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M-2H+K"	36.948606
"844604"	314.152806	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-2H+K"	36.948606
"1568819"	314.152806	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+K-2H"	36.948606
"951599"	322.202394	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-H+HCOOH"	44.998194
"370907"	599.406601	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+HCOOH-H"	44.998201
"354791"	613.422251	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+Hac-H"	59.013851
"1505085"	336.218051	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Hac-H"	59.013851
"973237"	344.184351	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-H+NaCOOH"	66.980151
"124452"	312.173602	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+2Cl"	69.938804
"564012"	450.775702	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+2Cl"	69.938804
"1032811"	173.571502	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2Cl"	69.938804
"1254577"	356.123085	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Br"	78.918885
"1313745"	358.179072	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Cl+HCOOH"	80.974872
"1330148"	380.161029	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Cl+NaCOOH"	102.956829
"923392"	390.189786	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M-H+CF3COOH"	112.985586
"1301198"	426.166464	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Cl+CF3COOH"	148.962264
"1381070"	242.191524	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H-2H2O"	-35.012676
"1394680"	260.2015	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H-H2O"	-17.0027
"289992"	555.415676	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+H"	1.007276
"687881"	832.619876	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+H"	1.007276
"1359856"	278.211476	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H"	1.007276
"127157"	278.211476	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+2H"	2.014552
"571214"	416.813576	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+2H"	2.014552
"1046575"	139.609376	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2H"	2.014552
"213382"	185.810076	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+3H"	3.021828
"647111"	278.211476	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+3H"	3.021828
"1166695"	93.408676	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+3H"	3.021828
"427050"	572.442223	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+NH4"	18.033823
"789136"	849.646423	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+NH4"	18.033823
"1685469"	295.238023	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+NH4"	18.033823
"333018"	286.7247495	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+H+NH4"	19.041099
"730179"	425.3268495	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+H+NH4"	19.041099
"1486185"	148.1226495	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H+NH4"	19.041099
"404866"	577.397618	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+Na"	22.989218
"765859"	854.601818	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+Na"	22.989218
"1613957"	300.193418	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Na"	22.989218
"326181"	289.202447	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+H+Na"	23.996494
"710583"	427.804547	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+H+Na"	23.996494
"1464770"	150.600347	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H+Na"	23.996494
"1054736"	100.73599	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2H+Na"	25.00377
"1258482"	310.237686	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+CH3OH+H"	33.033486
"378028"	593.371558	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+K"	38.963158
"745832"	870.575758	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+K"	38.963158
"1552259"	316.167358	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+K"	38.963158
"313081"	297.189417	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+H+K"	39.970434
"701856"	435.791517	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+H+K"	39.970434
"1458963"	158.587317	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H+K"	39.970434
"250112"	596.442226	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+ACN+H"	42.033826
"1223188"	319.238026	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+ACN+H"	42.033826
"1208164"	160.122651	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+ACN+2H"	43.041102
"203104"	599.37956	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+2Na-H"	44.97116
"644032"	876.58376	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+2Na-H"	44.97116
"1146246"	322.17536	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2Na-H"	44.97116
"187516"	300.193418	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+2Na"	45.978436
"627438"	438.795518	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+2Na"	45.978436
"1123166"	161.591318	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2Na"	45.978436
"1406322"	108.063304	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H+2Na"	46.985712
"1437711"	324.216946	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H+HCOOH"	47.012746
"228500"	305.22644	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+3H2O+2H"	56.04448
"1516562"	338.26899	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+IsoProp+H"	61.06479
"421364"	308.180388	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+Na+K"	61.952376
"783817"	446.782488	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+Na+K"	61.952376
"1673585"	169.578288	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Na+K"	61.952376
"260104"	618.424168	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+ACN+Na"	64.015768
"1231719"	341.219968	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+ACN+Na"	64.015768
"1721699"	341.243493	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+NH4+HCOOH"	64.039293
"1191064"	115.390618	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+3Na"	68.967654
"1661321"	346.198888	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Na+HCOOH"	68.994688
"168182"	631.32744	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+2K-H"	76.91904
"609935"	908.53164	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+2K-H"	76.91904
"1094813"	354.12324	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2K-H"	76.91904
"152355"	316.167358	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"2M+2K"	77.926316
"591919"	454.769458	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"3M+2K"	77.926316
"1079347"	177.565258	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2K"	77.926316
"1112920"	356.137792	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2K+H"	78.933592
"1348575"	356.225407	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+DMSO+H"	79.021207
"1018926"	360.264576	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2ACN+H"	83.060376
"1538145"	361.258208	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+IsoProp+Na+H"	84.054008
"1005196"	180.635926	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+2ACN+2H"	84.067652
"1602007"	362.172828	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+K+HCOOH"	84.968628
"1428031"	392.204338	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+H+CF3COOH"	115.000138
"1151763"	201.149201	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+3ACN+2H"	125.094202
"1701316"	409.230885	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+NH4+CF3COOH"	132.026685
"1642436"	414.18628	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+Na+CF3COOH"	136.98208
"1581369"	430.16022	"C07187"	"Venlafaxine"	"C17H27NO2"	"277.2042"	"M+K+CF3COOH"	152.95602
"811734"	454.2832	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M"	0
"989865"	435.26481	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-H2O-H"	-19.01839
"68043"	301.848190666667	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M-3H"	-3.021828
"511976"	453.275924	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M-3H"	-3.021828
"894521"	150.420457333333	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-3H"	-3.021828
"11639"	453.275924	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M-2H"	-2.014552
"453385"	680.417524	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M-2H"	-2.014552
"822440"	226.134324	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-2H"	-2.014552
"85710"	907.559124	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M-H"	-1.007276
"530736"	1361.842324	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M-H"	-1.007276
"899794"	453.275924	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-H"	-1.007276
"57455"	924.585671	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M-2H+NH4"	16.019271
"500296"	1378.868871	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M-2H+NH4"	16.019271
"878830"	470.302471	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-2H+NH4"	16.019271
"47107"	929.541066	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M-2H+Na"	20.974666
"486506"	1383.824266	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M-2H+Na"	20.974666
"863821"	475.257866	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-2H+Na"	20.974666
"1632778"	475.257866	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Na-2H"	20.974666
"108945"	471.264263	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M-H+Cl"	33.962126
"547898"	698.405863	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M-H+Cl"	33.962126
"939225"	244.122663	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-H+Cl"	33.962126
"279970"	943.535802	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+Cl"	34.969402
"670204"	1397.819002	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+Cl"	34.969402
"1284793"	489.252602	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Cl"	34.969402
"30145"	945.515006	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M-2H+K"	36.948606
"471128"	1399.798206	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M-2H+K"	36.948606
"847266"	491.231806	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-2H+K"	36.948606
"1568201"	491.231806	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+K-2H"	36.948606
"952800"	499.281394	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-H+HCOOH"	44.998194
"374302"	953.564601	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+HCOOH-H"	44.998201
"361266"	967.580251	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+Hac-H"	59.013851
"1503736"	513.297051	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Hac-H"	59.013851
"970184"	521.263351	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-H+NaCOOH"	66.980151
"116906"	489.252602	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+2Cl"	69.938804
"560111"	716.394202	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+2Cl"	69.938804
"1029638"	262.111002	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2Cl"	69.938804
"1253590"	533.202085	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Br"	78.918885
"1314945"	535.258072	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Cl+HCOOH"	80.974872
"1330258"	557.240029	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Cl+NaCOOH"	102.956829
"922406"	567.268786	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M-H+CF3COOH"	112.985586
"1301308"	603.245464	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Cl+CF3COOH"	148.962264
"1380941"	419.270524	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H-2H2O"	-35.012676
"1395876"	437.2805	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H-H2O"	-17.0027
"297029"	909.573676	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+H"	1.007276
"687262"	1363.856876	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+H"	1.007276
"1359966"	455.290476	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H"	1.007276
"133949"	455.290476	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+2H"	2.014552
"571688"	682.432076	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+2H"	2.014552
"1043406"	228.148876	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2H"	2.014552
"208752"	303.862742666667	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+3H"	3.021828
"647222"	455.290476	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+3H"	3.021828
"1166807"	152.435009333333	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+3H"	3.021828
"430078"	926.600223	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+NH4"	18.033823
"788887"	1380.883423	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+NH4"	18.033823
"1686672"	472.317023	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+NH4"	18.033823
"336773"	463.8037495	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+H+NH4"	19.041099
"728826"	690.9453495	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+H+NH4"	19.041099
"1486296"	236.6621495	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H+NH4"	19.041099
"396227"	931.555618	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+Na"	22.989218
"763784"	1385.838818	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+Na"	22.989218
"1609698"	477.272418	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Na"	22.989218
"325198"	466.281447	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+H+Na"	23.996494
"710329"	693.423047	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+H+Na"	23.996494
"1462328"	239.139847	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H+Na"	23.996494
"1053510"	159.762323333333	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2H+Na"	25.00377
"1257497"	487.316686	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+CH3OH+H"	33.033486
"378384"	947.529558	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+K"	38.963158
"741563"	1401.812758	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+K"	38.963158
"1547990"	493.246358	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+K"	38.963158
"310637"	474.268417	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+H+K"	39.970434
"701966"	701.410017	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+H+K"	39.970434
"1457972"	247.126817	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H+K"	39.970434
"251241"	950.600226	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+ACN+H"	42.033826
"1224024"	496.317026	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+ACN+H"	42.033826
"1209702"	248.662151	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+ACN+2H"	43.041102
"203455"	953.53756	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+2Na-H"	44.97116
"643990"	1407.82076	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+2Na-H"	44.97116
"1146642"	499.25436	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2Na-H"	44.97116
"188276"	477.272418	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+2Na"	45.978436
"628245"	704.414018	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+2Na"	45.978436
"1128743"	250.130818	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2Na"	45.978436
"1411175"	167.089637333333	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H+2Na"	46.985712
"1443292"	501.295946	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H+HCOOH"	47.012746
"231893"	482.30544	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+3H2O+2H"	56.04448
"1523486"	515.34799	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+IsoProp+H"	61.06479
"423298"	485.259388	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+Na+K"	61.952376
"785228"	712.400988	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+Na+K"	61.952376
"1680137"	258.117788	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Na+K"	61.952376
"262401"	972.582168	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+ACN+Na"	64.015768
"1234016"	518.298968	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+ACN+Na"	64.015768
"1723995"	518.322493	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+NH4+HCOOH"	64.039293
"1192269"	174.416951333333	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+3Na"	68.967654
"1662524"	523.277888	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Na+HCOOH"	68.994688
"169387"	985.48544	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+2K-H"	76.91904
"611501"	1439.76864	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+2K-H"	76.91904
"1097470"	531.20224	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2K-H"	76.91904
"153926"	493.246358	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"2M+2K"	77.926316
"594578"	720.387958	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"3M+2K"	77.926316
"1081642"	266.104758	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2K"	77.926316
"1112299"	533.216792	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2K+H"	78.933592
"1349782"	533.304407	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+DMSO+H"	79.021207
"1019038"	537.343576	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2ACN+H"	83.060376
"1537161"	538.337208	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+IsoProp+Na+H"	84.054008
"1000323"	269.175426	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+2ACN+2H"	84.067652
"1601390"	539.251828	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+K+HCOOH"	84.968628
"1428511"	569.283338	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+H+CF3COOH"	115.000138
"1162724"	289.688701	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+3ACN+2H"	125.094202
"1707983"	586.309885	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+NH4+CF3COOH"	132.026685
"1639264"	591.26528	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+Na+CF3COOH"	136.98208
"1571996"	607.23922	"C07188"	"Verapamil"	"C27H38N2O4"	"454.2832"	"M+K+CF3COOH"	152.95602
"808564"	136.0524	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M"	0
"982097"	117.03401	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"68154"	89.694324	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"505526"	135.045124	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"894144"	44.343524	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"13937"	135.045124	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"451308"	203.071324	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"822550"	67.018924	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"83633"	271.097524	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"526473"	407.149924	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"898810"	135.045124	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"57565"	288.124071	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"500406"	424.176471	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"878577"	152.071671	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"47042"	293.079466	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"486534"	429.131866	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"863119"	157.027066	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1633743"	157.027066	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"109786"	153.033463	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"548738"	221.059663	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"942376"	85.007263	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"282148"	307.074202	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"671407"	443.126602	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1286726"	171.021802	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"31263"	309.053406	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"470305"	445.105806	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"848231"	173.001006	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1571163"	173.001006	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"955099"	181.050594	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"375505"	317.103001	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"358295"	331.118651	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1504211"	195.066251	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"970294"	203.032551	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"125525"	171.021802	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"564838"	239.048002	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1033027"	102.995602	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1254431"	214.971285	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1316150"	217.027272	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1329270"	239.009229	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"921422"	249.037986	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1293031"	285.014664	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1378484"	101.039724	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1397080"	119.0497	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"297138"	273.112076	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"688467"	409.164476	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1362263"	137.059676	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"135152"	137.059676	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"569612"	205.085876	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1040601"	69.033476	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"208498"	91.708876	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"646236"	137.059676	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1163633"	46.358076	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"426542"	290.138623	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"788266"	426.191023	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1686420"	154.086223	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"333965"	145.5729495	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"728573"	213.5991495	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1483126"	77.5467495	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"399618"	295.094018	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"759520"	431.146418	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1610901"	159.041618	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"324216"	148.050647	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"707526"	216.076847	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1462079"	80.024447	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1053501"	53.68539	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1261013"	169.085886	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"381776"	311.067958	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"742771"	447.120358	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1551384"	175.015558	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"313301"	156.037617	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"705357"	224.063817	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1460840"	88.011417	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"249966"	314.138626	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1225109"	178.086226	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1209877"	89.546751	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"203935"	317.07596	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"644175"	453.12836	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1145412"	181.02356	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"188022"	159.041618	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"627784"	227.067818	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1123385"	91.015418	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1412869"	61.012704	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1442309"	183.065146	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"229817"	164.07464	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1522255"	197.11719	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"424140"	167.028588	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"784894"	235.054788	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1674898"	99.002388	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"265792"	336.120568	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1239594"	200.068168	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1726298"	200.091693	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1189462"	68.340018	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1659355"	205.047088	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"168770"	349.02384	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"611611"	485.07624	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1094665"	212.97144	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"153671"	175.015558	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"594813"	243.041758	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1083335"	106.989358	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1114116"	214.985992	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1350256"	215.073607	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1019148"	219.112776	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1537272"	220.106408	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"1002622"	110.060026	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1602231"	221.021028	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1429762"	251.052538	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1162511"	130.573301	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1709187"	268.079085	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1640467"	273.03448	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1572469"	289.00842	"C07189"	"2-Hydroxyacetophenone;omega-Hydroxyacetophenone"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"808674"	114.0252	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M"	0
"982207"	95.00681	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-H2O-H"	-19.01839
"64982"	75.009524	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M-3H"	-3.021828
"505636"	113.017924	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M-3H"	-3.021828
"892186"	37.001124	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-3H"	-3.021828
"13684"	113.017924	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M-2H"	-2.014552
"452512"	170.030524	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M-2H"	-2.014552
"824847"	56.005324	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-2H"	-2.014552
"89212"	227.043124	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M-H"	-1.007276
"528771"	341.068324	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M-H"	-1.007276
"905479"	113.017924	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-H"	-1.007276
"56939"	244.069671	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M-2H+NH4"	16.019271
"495045"	358.094871	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M-2H+NH4"	16.019271
"876860"	130.044471	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-2H+NH4"	16.019271
"45860"	249.025066	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M-2H+Na"	20.974666
"486519"	363.050266	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M-2H+Na"	20.974666
"863224"	134.999866	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-2H+Na"	20.974666
"1631667"	134.999866	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Na-2H"	20.974666
"105276"	131.006263	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M-H+Cl"	33.962126
"547754"	188.018863	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M-H+Cl"	33.962126
"936165"	73.993663	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-H+Cl"	33.962126
"271804"	263.019802	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+Cl"	34.969402
"667142"	377.045002	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+Cl"	34.969402
"1285014"	148.994602	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Cl"	34.969402
"27569"	264.999006	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M-2H+K"	36.948606
"464944"	379.024206	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M-2H+K"	36.948606
"843839"	150.973806	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-2H+K"	36.948606
"1565141"	150.973806	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+K-2H"	36.948606
"953024"	159.023394	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-H+HCOOH"	44.998194
"371968"	273.048601	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+HCOOH-H"	44.998201
"358040"	287.064251	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+Hac-H"	59.013851
"1501765"	173.039051	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Hac-H"	59.013851
"971133"	181.005351	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-H+NaCOOH"	66.980151
"122958"	148.994602	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+2Cl"	69.938804
"562152"	206.007202	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+2Cl"	69.938804
"1030949"	91.982002	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2Cl"	69.938804
"1253083"	192.944085	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Br"	78.918885
"1316986"	195.000072	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Cl+HCOOH"	80.974872
"1329380"	216.982029	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Cl+NaCOOH"	102.956829
"918250"	227.010786	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M-H+CF3COOH"	112.985586
"1291680"	262.987464	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Cl+CF3COOH"	148.962264
"1370936"	79.012524	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H-2H2O"	-35.012676
"1397920"	97.0225	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H-H2O"	-17.0027
"297857"	229.057676	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+H"	1.007276
"688212"	343.082876	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+H"	1.007276
"1360186"	115.032476	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H"	1.007276
"138542"	115.032476	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+2H"	2.014552
"569358"	172.045076	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+2H"	2.014552
"1041441"	58.019876	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2H"	2.014552
"207151"	77.024076	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+3H"	3.021828
"646105"	115.032476	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+3H"	3.021828
"1163053"	39.015676	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+3H"	3.021828
"426287"	246.084223	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+NH4"	18.033823
"787283"	360.109423	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+NH4"	18.033823
"1687622"	132.059023	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+NH4"	18.033823
"335900"	123.5457495	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+H+NH4"	19.041099
"730508"	180.5583495	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+H+NH4"	19.041099
"1486516"	66.5331495	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H+NH4"	19.041099
"400823"	251.039618	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+Na"	22.989218
"762911"	365.064818	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+Na"	22.989218
"1614288"	137.014418	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Na"	22.989218
"326147"	126.023447	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+H+Na"	23.996494
"707151"	183.036047	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+H+Na"	23.996494
"1461337"	69.010847	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H+Na"	23.996494
"1053034"	46.34299	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2H+Na"	25.00377
"1260030"	147.058686	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+CH3OH+H"	33.033486
"378606"	267.013558	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+K"	38.963158
"742881"	381.038758	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+K"	38.963158
"1548214"	152.988358	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+K"	38.963158
"308672"	134.010417	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+H+K"	39.970434
"705833"	191.023017	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+H+K"	39.970434
"1458197"	76.997817	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H+K"	39.970434
"250080"	270.084226	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+ACN+H"	42.033826
"1224492"	156.059026	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+ACN+H"	42.033826
"1209837"	78.533151	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+ACN+2H"	43.041102
"204208"	273.02156	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+2Na-H"	44.97116
"644054"	387.04676	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+2Na-H"	44.97116
"1146913"	158.99636	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2Na-H"	44.97116
"183711"	137.014418	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+2Na"	45.978436
"627283"	194.027018	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+2Na"	45.978436
"1128479"	80.001818	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2Na"	45.978436
"1413102"	53.670304	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H+2Na"	46.985712
"1444486"	161.037946	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H+HCOOH"	47.012746
"234060"	142.04744	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+3H2O+2H"	56.04448
"1521272"	175.08999	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+IsoProp+H"	61.06479
"423400"	145.001388	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+Na+K"	61.952376
"784155"	202.013988	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+Na+K"	61.952376
"1679018"	87.988788	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Na+K"	61.952376
"265174"	292.066168	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+ACN+Na"	64.015768
"1239708"	178.040968	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+ACN+Na"	64.015768
"1727137"	178.064493	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+NH4+HCOOH"	64.039293
"1189939"	60.997618	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+3Na"	68.967654
"1660198"	183.019888	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Na+HCOOH"	68.994688
"166330"	304.96944	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+2K-H"	76.91904
"609535"	418.99464	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+2K-H"	76.91904
"1093319"	190.94424	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2K-H"	76.91904
"152688"	152.988358	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"2M+2K"	77.926316
"592616"	210.000958	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"3M+2K"	77.926316
"1081864"	95.975758	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2K"	77.926316
"1114345"	192.958792	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2K+H"	78.933592
"1350367"	193.046407	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+DMSO+H"	79.021207
"1020963"	197.085576	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2ACN+H"	83.060376
"1538842"	198.079208	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+IsoProp+Na+H"	84.054008
"1002372"	99.046426	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+2ACN+2H"	84.067652
"1601614"	198.993828	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+K+HCOOH"	84.968628
"1429585"	229.025338	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+H+CF3COOH"	115.000138
"1162180"	119.559701	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+3ACN+2H"	125.094202
"1711483"	246.051885	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+NH4+CF3COOH"	132.026685
"1640577"	251.00728	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+Na+CF3COOH"	136.98208
"1571854"	266.98122	"C07190"	"Thiamazole;Methimazole"	"C4H6N2S"	"114.0252"	"M+K+CF3COOH"	152.95602
"812064"	328.1609	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M"	0
"985597"	309.14251	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-H2O-H"	-19.01839
"68372"	217.766657333333	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M-3H"	-3.021828
"505746"	327.153624	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M-3H"	-3.021828
"889016"	108.379690666667	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-3H"	-3.021828
"15551"	327.153624	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M-2H"	-2.014552
"454445"	491.234074	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M-2H"	-2.014552
"827144"	163.073174	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-2H"	-2.014552
"89322"	655.314524	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M-H"	-1.007276
"528881"	983.475424	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M-H"	-1.007276
"901216"	327.153624	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-H"	-1.007276
"58142"	672.341071	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M-2H+NH4"	16.019271
"494062"	1000.501971	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M-2H+NH4"	16.019271
"874054"	344.180171	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-2H+NH4"	16.019271
"45968"	677.296466	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M-2H+Na"	20.974666
"485780"	1005.457366	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M-2H+Na"	20.974666
"863416"	349.135566	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-2H+Na"	20.974666
"1631895"	349.135566	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Na-2H"	20.974666
"105386"	345.141963	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M-H+Cl"	33.962126
"547135"	509.222413	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M-H+Cl"	33.962126
"934088"	181.061513	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-H+Cl"	33.962126
"274831"	691.291202	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+Cl"	34.969402
"670533"	1019.452102	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+Cl"	34.969402
"1284030"	363.130302	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Cl"	34.969402
"27681"	693.270406	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M-2H+K"	36.948606
"462869"	1021.431306	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M-2H+K"	36.948606
"841763"	365.109506	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-2H+K"	36.948606
"1567439"	365.109506	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+K-2H"	36.948606
"956051"	373.159094	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-H+HCOOH"	44.998194
"376940"	701.320001	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+HCOOH-H"	44.998201
"360337"	715.335651	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+Hac-H"	59.013851
"1501876"	387.174751	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Hac-H"	59.013851
"971243"	395.141051	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-H+NaCOOH"	66.980151
"124770"	363.130302	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+2Cl"	69.938804
"562626"	527.210752	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+2Cl"	69.938804
"1031059"	199.049852	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2Cl"	69.938804
"1254286"	407.079785	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Br"	78.918885
"1316368"	409.135772	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Cl+HCOOH"	80.974872
"1329490"	431.117729	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Cl+NaCOOH"	102.956829
"916174"	441.146486	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M-H+CF3COOH"	112.985586
"1293977"	477.123164	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Cl+CF3COOH"	148.962264
"1369587"	293.148224	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H-2H2O"	-35.012676
"1398218"	311.1582	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H-H2O"	-17.0027
"297718"	657.329076	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+H"	1.007276
"689418"	985.489976	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+H"	1.007276
"1361389"	329.168176	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H"	1.007276
"135372"	329.168176	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+2H"	2.014552
"576026"	493.248626	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+2H"	2.014552
"1042643"	165.087726	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2H"	2.014552
"207625"	219.781209333333	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+3H"	3.021828
"647188"	329.168176	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+3H"	3.021828
"1163853"	110.394242666667	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+3H"	3.021828
"426397"	674.355623	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+NH4"	18.033823
"789943"	1002.516523	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+NH4"	18.033823
"1687004"	346.194723	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+NH4"	18.033823
"338198"	337.6814495	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+H+NH4"	19.041099
"731713"	501.7618995	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+H+NH4"	19.041099
"1484439"	173.6009995	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H+NH4"	19.041099
"403120"	679.311018	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+Na"	22.989218
"763020"	1007.471918	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+Na"	22.989218
"1614397"	351.150118	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Na"	22.989218
"327594"	340.159147	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+H+Na"	23.996494
"708234"	504.239597	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+H+Na"	23.996494
"1463752"	176.078697	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H+Na"	23.996494
"1057362"	117.721556666667	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2H+Na"	25.00377
"1261233"	361.194386	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+CH3OH+H"	33.033486
"379078"	695.284958	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+K"	38.963158
"740075"	1023.445858	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+K"	38.963158
"1548324"	367.124058	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+K"	38.963158
"311333"	348.146117	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+H+K"	39.970434
"705822"	512.226567	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+H+K"	39.970434
"1460494"	184.065667	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H+K"	39.970434
"250435"	698.355626	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+ACN+H"	42.033826
"1224847"	370.194726	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+ACN+H"	42.033826
"1208856"	185.601001	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+ACN+2H"	43.041102
"203910"	701.29296	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+2Na-H"	44.97116
"643351"	1029.45386	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+2Na-H"	44.97116
"1145269"	373.13206	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2Na-H"	44.97116
"187227"	351.150118	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+2Na"	45.978436
"627277"	515.230568	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+2Na"	45.978436
"1128710"	187.069668	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2Na"	45.978436
"1412480"	125.048870666667	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H+2Na"	46.985712
"1444481"	375.173646	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H+HCOOH"	47.012746
"234172"	356.18314	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+3H2O+2H"	56.04448
"1521382"	389.22569	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+IsoProp+H"	61.06479
"423753"	359.137088	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+Na+K"	61.952376
"784507"	523.217538	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+Na+K"	61.952376
"1678401"	195.056638	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Na+K"	61.952376
"264924"	720.337568	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+ACN+Na"	64.015768
"1240431"	392.176668	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+ACN+Na"	64.015768
"1725423"	392.200193	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+NH4+HCOOH"	64.039293
"1190411"	132.376184666667	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+3Na"	68.967654
"1658485"	397.155588	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Na+HCOOH"	68.994688
"167168"	733.24084	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+2K-H"	76.91904
"610737"	1061.40174	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+2K-H"	76.91904
"1091607"	405.07994	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2K-H"	76.91904
"152795"	367.124058	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"2M+2K"	77.926316
"594911"	531.204508	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"3M+2K"	77.926316
"1083193"	203.043608	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2K"	77.926316
"1114090"	407.094492	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2K+H"	78.933592
"1349750"	407.182107	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+DMSO+H"	79.021207
"1020100"	411.221276	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2ACN+H"	83.060376
"1539074"	412.214908	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+IsoProp+Na+H"	84.054008
"1001389"	206.114276	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+2ACN+2H"	84.067652
"1601725"	413.129528	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+K+HCOOH"	84.968628
"1429205"	443.161038	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+H+CF3COOH"	115.000138
"1162049"	226.627551	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+3ACN+2H"	125.094202
"1712326"	460.187585	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+NH4+CF3COOH"	132.026685
"1639594"	465.14298	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+Na+CF3COOH"	136.98208
"1571599"	481.11692	"C07192"	"Methotrimeprazine;Levomepromazine"	"C19H24N2OS"	"328.1609"	"M+K+CF3COOH"	152.95602
"812174"	211.0845	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M"	0
"985707"	192.06611	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-H2O-H"	-19.01839
"70669"	139.715724	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M-3H"	-3.021828
"505856"	210.077224	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M-3H"	-3.021828
"890219"	69.354224	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-3H"	-3.021828
"13903"	210.077224	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M-2H"	-2.014552
"452368"	315.619474	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M-2H"	-2.014552
"829076"	104.534974	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-2H"	-2.014552
"86152"	421.161724	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M-H"	-1.007276
"527899"	632.246224	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M-H"	-1.007276
"906793"	210.077224	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-H"	-1.007276
"56793"	438.188271	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M-2H+NH4"	16.019271
"495264"	649.272771	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M-2H+NH4"	16.019271
"875986"	227.103771	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-2H+NH4"	16.019271
"42065"	443.143666	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M-2H+Na"	20.974666
"482720"	654.228166	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M-2H+Na"	20.974666
"863322"	232.059166	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-2H+Na"	20.974666
"1630061"	232.059166	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Na-2H"	20.974666
"105496"	228.065563	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M-H+Cl"	33.962126
"547245"	333.607813	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M-H+Cl"	33.962126
"934198"	122.523313	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-H+Cl"	33.962126
"274941"	457.138402	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+Cl"	34.969402
"672830"	668.222902	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+Cl"	34.969402
"1283047"	246.053902	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Cl"	34.969402
"27791"	459.117606	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M-2H+K"	36.948606
"464071"	670.202106	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M-2H+K"	36.948606
"841873"	248.033106	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-2H+K"	36.948606
"1569008"	248.033106	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+K-2H"	36.948606
"955799"	256.082694	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-H+HCOOH"	44.998194
"374744"	467.167201	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+HCOOH-H"	44.998201
"358869"	481.182851	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+Hac-H"	59.013851
"1503079"	270.098351	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Hac-H"	59.013851
"971353"	278.064651	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-H+NaCOOH"	66.980151
"122450"	246.053902	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+2Cl"	69.938804
"562371"	351.596152	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+2Cl"	69.938804
"1031169"	140.511652	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2Cl"	69.938804
"1254032"	290.003385	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Br"	78.918885
"1315385"	292.059372	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Cl+HCOOH"	80.974872
"1330693"	314.041329	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Cl+NaCOOH"	102.956829
"917377"	324.070086	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M-H+CF3COOH"	112.985586
"1294087"	360.046764	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Cl+CF3COOH"	148.962264
"1368968"	176.071824	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H-2H2O"	-35.012676
"1390844"	194.0818	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H-H2O"	-17.0027
"298069"	423.176276	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+H"	1.007276
"689893"	634.260776	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+H"	1.007276
"1366603"	212.091776	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H"	1.007276
"136575"	212.091776	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+2H"	2.014552
"573950"	317.634026	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+2H"	2.014552
"1043844"	106.549526	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2H"	2.014552
"206277"	141.730276	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+3H"	3.021828
"648025"	212.091776	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+3H"	3.021828
"1165421"	71.368776	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+3H"	3.021828
"427600"	440.202823	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+NH4"	18.033823
"790418"	651.287323	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+NH4"	18.033823
"1686751"	229.118323	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+NH4"	18.033823
"339401"	220.6050495	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+H+NH4"	19.041099
"734008"	326.1472995	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+H+NH4"	19.041099
"1485642"	115.0627995	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H+NH4"	19.041099
"403230"	445.158218	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+Na"	22.989218
"763130"	656.242718	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+Na"	22.989218
"1613414"	234.073718	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Na"	22.989218
"327824"	223.082747	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+H+Na"	23.996494
"708344"	328.624997	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+H+Na"	23.996494
"1463497"	117.540497	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H+Na"	23.996494
"1057473"	78.69609	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2H+Na"	25.00377
"1262436"	244.117986	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+CH3OH+H"	33.033486
"381010"	461.132158	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+K"	38.963158
"741278"	672.216658	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+K"	38.963158
"1548434"	250.047658	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+K"	38.963158
"311079"	231.069717	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+H+K"	39.970434
"706417"	336.611967	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+H+K"	39.970434
"1459873"	125.527467	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H+K"	39.970434
"250666"	464.202826	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+ACN+H"	42.033826
"1225166"	253.118326	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+ACN+H"	42.033826
"1209405"	127.062801	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+ACN+2H"	43.041102
"203408"	467.14016	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+2Na-H"	44.97116
"643581"	678.22466	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+2Na-H"	44.97116
"1145014"	256.05566	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2Na-H"	44.97116
"187827"	234.073718	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+2Na"	45.978436
"627385"	339.615968	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+2Na"	45.978436
"1122624"	128.531468	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2Na"	45.978436
"1412348"	86.023404	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H+2Na"	46.985712
"1444589"	258.097246	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H+HCOOH"	47.012746
"233431"	239.10674	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+3H2O+2H"	56.04448
"1521492"	272.14929	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+IsoProp+H"	61.06479
"423703"	242.060688	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+Na+K"	61.952376
"784859"	347.602938	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+Na+K"	61.952376
"1679604"	136.518438	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Na+K"	61.952376
"265397"	486.184768	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+ACN+Na"	64.015768
"1239930"	275.100268	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+ACN+Na"	64.015768
"1725531"	275.123793	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+NH4+HCOOH"	64.039293
"1190522"	93.350718	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+3Na"	68.967654
"1661144"	280.079188	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Na+HCOOH"	68.994688
"167278"	499.08804	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+2K-H"	76.91904
"609025"	710.17254	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+2K-H"	76.91904
"1092810"	288.00354	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2K-H"	76.91904
"152905"	250.047658	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"2M+2K"	77.926316
"594290"	355.589908	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"3M+2K"	77.926316
"1083057"	144.505408	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2K"	77.926316
"1114202"	290.018092	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2K+H"	78.933592
"1350712"	290.105707	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+DMSO+H"	79.021207
"1020333"	294.144876	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2ACN+H"	83.060376
"1537603"	295.138508	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+IsoProp+Na+H"	84.054008
"1003321"	147.576076	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+2ACN+2H"	84.067652
"1601835"	296.053128	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+K+HCOOH"	84.968628
"1428949"	326.084638	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+H+CF3COOH"	115.000138
"1162157"	168.089351	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+3ACN+2H"	125.094202
"1711704"	343.111185	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+NH4+CF3COOH"	132.026685
"1639704"	348.06658	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+Na+CF3COOH"	136.98208
"1571345"	364.04052	"C07194"	"Methyldopa anhydrous;Methyldopa"	"C10H13NO4"	"211.0845"	"M+K+CF3COOH"	152.95602
"812284"	285.1073	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M"	0
"984724"	266.08891	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-H2O-H"	-19.01839
"70779"	189.064257333333	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M-3H"	-3.021828
"503900"	284.100024	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M-3H"	-3.021828
"890329"	94.0284906666667	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-3H"	-3.021828
"14013"	284.100024	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M-2H"	-2.014552
"451748"	426.653674	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M-2H"	-2.014552
"830279"	141.546374	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-2H"	-2.014552
"86262"	569.207324	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M-H"	-1.007276
"528009"	854.314624	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M-H"	-1.007276
"906539"	284.100024	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-H"	-1.007276
"56903"	586.233871	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M-2H+NH4"	16.019271
"495374"	871.341171	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M-2H+NH4"	16.019271
"872085"	301.126571	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-2H+NH4"	16.019271
"41081"	591.189266	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M-2H+Na"	20.974666
"476269"	876.296566	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M-2H+Na"	20.974666
"861728"	306.081966	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-2H+Na"	20.974666
"1630171"	306.081966	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Na-2H"	20.974666
"105606"	302.088363	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M-H+Cl"	33.962126
"546261"	444.642013	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M-H+Cl"	33.962126
"935401"	159.534713	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-H+Cl"	33.962126
"271770"	605.184002	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+Cl"	34.969402
"669660"	890.291302	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+Cl"	34.969402
"1283156"	320.076702	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Cl"	34.969402
"26808"	607.163206	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M-2H+K"	36.948606
"467459"	892.270506	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M-2H+K"	36.948606
"844169"	322.055906	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-2H+K"	36.948606
"1567659"	322.055906	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+K-2H"	36.948606
"956634"	330.105494	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-H+HCOOH"	44.998194
"375825"	615.212801	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+HCOOH-H"	44.998201
"359584"	629.228451	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+Hac-H"	59.013851
"1503189"	344.121151	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Hac-H"	59.013851
"970367"	352.087451	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-H+NaCOOH"	66.980151
"122560"	320.076702	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+2Cl"	69.938804
"560294"	462.630352	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+2Cl"	69.938804
"1030185"	177.523052	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2Cl"	69.938804
"1253777"	364.026185	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Br"	78.918885
"1314402"	366.082172	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Cl+HCOOH"	80.974872
"1329710"	388.064129	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Cl+NaCOOH"	102.956829
"917487"	398.092886	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M-H+CF3COOH"	112.985586
"1294197"	434.069564	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Cl+CF3COOH"	148.962264
"1369440"	250.094624	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H-2H2O"	-35.012676
"1387674"	268.1046	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H-H2O"	-17.0027
"297204"	571.221876	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+H"	1.007276
"687449"	856.329176	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+H"	1.007276
"1364527"	286.114576	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H"	1.007276
"132311"	286.114576	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+2H"	2.014552
"567861"	428.668226	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+2H"	2.014552
"1039942"	143.560926	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2H"	2.014552
"207845"	191.078809333333	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+3H"	3.021828
"648133"	286.114576	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+3H"	3.021828
"1167354"	96.0430426666667	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+3H"	3.021828
"428803"	588.248423	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+NH4"	18.033823
"790528"	873.355723	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+NH4"	18.033823
"1686856"	303.141123	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+NH4"	18.033823
"334408"	294.6278495	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+H+NH4"	19.041099
"729745"	437.1814995	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+H+NH4"	19.041099
"1481378"	152.0741995	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H+NH4"	19.041099
"396778"	593.203818	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+Na"	22.989218
"759960"	878.311118	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+Na"	22.989218
"1611335"	308.096518	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Na"	22.989218
"321373"	297.105547	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+H+Na"	23.996494
"708083"	439.659197	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+H+Na"	23.996494
"1461901"	154.551897	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H+Na"	23.996494
"1053326"	103.370356666667	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2H+Na"	25.00377
"1259629"	318.140786	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+CH3OH+H"	33.033486
"378078"	609.177758	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+K"	38.963158
"742114"	894.285058	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+K"	38.963158
"1541980"	324.070458	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+K"	38.963158
"307906"	305.092517	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+H+K"	39.970434
"701421"	447.646167	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+H+K"	39.970434
"1457429"	162.538867	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H+K"	39.970434
"248220"	612.248426	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+ACN+H"	42.033826
"1224574"	327.141126	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+ACN+H"	42.033826
"1209758"	164.074201	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+ACN+2H"	43.041102
"203760"	615.18576	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+2Na-H"	44.97116
"643441"	900.29306	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+2Na-H"	44.97116
"1145124"	330.07846	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2Na-H"	44.97116
"187323"	308.096518	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+2Na"	45.978436
"625424"	450.650168	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+2Na"	45.978436
"1122734"	165.542868	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2Na"	45.978436
"1413550"	110.697670666667	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H+2Na"	46.985712
"1443844"	332.120046	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H+HCOOH"	47.012746
"232081"	313.12954	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+3H2O+2H"	56.04448
"1515041"	346.17209	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+IsoProp+H"	61.06479
"423975"	316.083488	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+Na+K"	61.952376
"785211"	458.637138	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+Na+K"	61.952376
"1678620"	173.529838	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Na+K"	61.952376
"266478"	634.230368	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+ACN+Na"	64.015768
"1238943"	349.123068	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+ACN+Na"	64.015768
"1724546"	349.146593	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+NH4+HCOOH"	64.039293
"1190632"	118.024984666667	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+3Na"	68.967654
"1660525"	354.101988	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Na+HCOOH"	68.994688
"163379"	647.13364	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+2K-H"	76.91904
"607313"	932.24094	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+2K-H"	76.91904
"1092919"	362.02634	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2K-H"	76.91904
"151922"	324.070458	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"2M+2K"	77.926316
"593307"	466.624108	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"3M+2K"	77.926316
"1082437"	181.516808	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2K"	77.926316
"1114069"	364.040892	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2K+H"	78.933592
"1350092"	364.128507	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+DMSO+H"	79.021207
"1019712"	368.167676	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2ACN+H"	83.060376
"1534797"	369.161308	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+IsoProp+Na+H"	84.054008
"1003066"	184.587476	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+2ACN+2H"	84.067652
"1600847"	370.075928	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+K+HCOOH"	84.968628
"1427600"	400.107438	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+H+CF3COOH"	115.000138
"1162267"	205.100751	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+3ACN+2H"	125.094202
"1709626"	417.133985	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+NH4+CF3COOH"	132.026685
"1637628"	422.08938	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+Na+CF3COOH"	136.98208
"1571814"	438.06332	"C07195"	"Vidarabine;9-beta-D-Arabino furanosyl adenine monohydrate"	"C10H13N5O4H2O"	"285.1073"	"M+K+CF3COOH"	152.95602
"805836"	233.1416	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M"	0
"981556"	214.12321	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-H2O-H"	-19.01839
"77332"	154.420457333333	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M-3H"	-3.021828
"518109"	232.134324	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M-3H"	-3.021828
"895562"	76.7065906666667	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-3H"	-3.021828
"14852"	232.134324	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M-2H"	-2.014552
"454777"	348.705124	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M-2H"	-2.014552
"823465"	115.563524	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-2H"	-2.014552
"88559"	465.275924	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M-H"	-1.007276
"528848"	698.417524	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M-H"	-1.007276
"901547"	232.134324	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-H"	-1.007276
"57747"	482.302471	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M-2H+NH4"	16.019271
"499497"	715.444071	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M-2H+NH4"	16.019271
"874386"	249.160871	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-2H+NH4"	16.019271
"42288"	487.257866	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M-2H+Na"	20.974666
"485131"	720.399466	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M-2H+Na"	20.974666
"862812"	254.116266	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-2H+Na"	20.974666
"1630281"	254.116266	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Na-2H"	20.974666
"102436"	250.122663	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M-H+Cl"	33.962126
"548558"	366.693463	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M-H+Cl"	33.962126
"936604"	133.551863	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-H+Cl"	33.962126
"272973"	501.252602	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+Cl"	34.969402
"669770"	734.394202	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+Cl"	34.969402
"1281078"	268.111002	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Cl"	34.969402
"29711"	503.231806	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M-2H+K"	36.948606
"470609"	736.373406	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M-2H+K"	36.948606
"846102"	270.090206	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-2H+K"	36.948606
"1570896"	270.090206	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+K-2H"	36.948606
"957595"	278.139794	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-H+HCOOH"	44.998194
"376660"	511.281401	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+HCOOH-H"	44.998201
"360906"	525.297051	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+Hac-H"	59.013851
"1504392"	292.155451	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Hac-H"	59.013851
"972913"	300.121751	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-H+NaCOOH"	66.980151
"123761"	268.111002	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+2Cl"	69.938804
"558216"	384.681802	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+2Cl"	69.938804
"1033578"	151.540202	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2Cl"	69.938804
"1253520"	312.060485	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Br"	78.918885
"1316698"	314.116472	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Cl+HCOOH"	80.974872
"1325446"	336.098429	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Cl+NaCOOH"	102.956829
"913226"	346.127186	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M-H+CF3COOH"	112.985586
"1293216"	382.103864	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Cl+CF3COOH"	148.962264
"1369553"	198.128924	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H-2H2O"	-35.012676
"1394345"	216.1389	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H-H2O"	-17.0027
"297922"	467.290476	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+H"	1.007276
"691163"	700.432076	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+H"	1.007276
"1366919"	234.148876	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H"	1.007276
"133518"	234.148876	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+2H"	2.014552
"569800"	350.719676	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+2H"	2.014552
"1038720"	117.578076	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2H"	2.014552
"209779"	156.435009333333	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+3H"	3.021828
"646422"	234.148876	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+3H"	3.021828
"1166738"	78.7211426666667	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+3H"	3.021828
"428186"	484.317023	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+NH4"	18.033823
"789907"	717.458623	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+NH4"	18.033823
"1684780"	251.175423	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+NH4"	18.033823
"331964"	242.6621495	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+H+NH4"	19.041099
"726208"	359.2329495	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+H+NH4"	19.041099
"1480394"	126.0913495	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H+NH4"	19.041099
"402356"	489.272418	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+Na"	22.989218
"761164"	722.414018	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+Na"	22.989218
"1605010"	256.130818	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Na"	22.989218
"323670"	245.139847	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+H+Na"	23.996494
"707469"	361.710647	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+H+Na"	23.996494
"1462506"	128.569047	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H+Na"	23.996494
"1053688"	86.0484566666667	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2H+Na"	25.00377
"1260469"	266.175086	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+CH3OH+H"	33.033486
"381229"	505.246358	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+K"	38.963158
"743318"	738.387958	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+K"	38.963158
"1547560"	272.104758	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+K"	38.963158
"306923"	253.126817	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+H+K"	39.970434
"702625"	369.697617	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+H+K"	39.970434
"1456446"	136.556017	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H+K"	39.970434
"250641"	508.317026	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+ACN+H"	42.033826
"1223592"	275.175426	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+ACN+H"	42.033826
"1206382"	138.091351	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+ACN+2H"	43.041102
"199617"	511.25436	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+2Na-H"	44.97116
"644081"	744.39596	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+2Na-H"	44.97116
"1145235"	278.11276	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2Na-H"	44.97116
"178683"	256.130818	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+2Na"	45.978436
"624440"	372.701618	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+2Na"	45.978436
"1131189"	139.560018	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2Na"	45.978436
"1414103"	93.3757706666667	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H+2Na"	46.985712
"1445482"	280.154346	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H+HCOOH"	47.012746
"235695"	261.16384	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+3H2O+2H"	56.04448
"1517338"	294.20639	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+IsoProp+H"	61.06479
"419218"	264.117788	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+Na+K"	61.952376
"784466"	380.688588	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+Na+K"	61.952376
"1676543"	147.546988	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Na+K"	61.952376
"265251"	530.298968	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+ACN+Na"	64.015768
"1236866"	297.157368	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+ACN+Na"	64.015768
"1723562"	297.180893	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+NH4+HCOOH"	64.039293
"1190010"	100.703084666667	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+3Na"	68.967654
"1660999"	302.136288	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Na+HCOOH"	68.994688
"164580"	543.20224	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+2K-H"	76.91904
"604142"	776.34384	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+2K-H"	76.91904
"1093028"	310.06064	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2K-H"	76.91904
"150938"	272.104758	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"2M+2K"	77.926316
"589408"	388.675558	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"3M+2K"	77.926316
"1079023"	155.533958	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2K"	77.926316
"1108223"	312.075192	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2K+H"	78.933592
"1346795"	312.162807	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+DMSO+H"	79.021207
"1017512"	316.201976	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2ACN+H"	83.060376
"1537824"	317.195608	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+IsoProp+Na+H"	84.054008
"1005005"	158.604626	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+2ACN+2H"	84.067652
"1602054"	318.110228	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+K+HCOOH"	84.968628
"1429414"	348.141738	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+H+CF3COOH"	115.000138
"1155813"	179.117901	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+3ACN+2H"	125.094202
"1705368"	365.168285	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+NH4+CF3COOH"	132.026685
"1637738"	370.12368	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+Na+CF3COOH"	136.98208
"1577762"	386.09762	"C07196"	"Methylphenidate"	"C14H19NO2"	"233.1416"	"M+K+CF3COOH"	152.95602
"812504"	302.2246	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M"	0
"984944"	283.20621	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"74280"	200.475790666667	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"509468"	301.217324	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"889456"	99.7342573333333	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"14967"	301.217324	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"455135"	452.329624	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"828317"	150.105024	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"88670"	603.441924	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"527135"	905.666524	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"897282"	301.217324	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"51661"	620.468471	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"491223"	922.693071	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"870122"	318.243871	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"39118"	625.423866	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"479773"	927.648466	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"860490"	323.199266	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1628204"	323.199266	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"104733"	319.205663	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"543200"	470.317963	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"932339"	168.093363	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"279645"	639.418602	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"668785"	941.643202	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1284469"	337.194002	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"24838"	641.397806	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"467678"	943.622406	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"846209"	339.173206	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1567877"	339.173206	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"952477"	347.222794	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"371787"	649.447401	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"358950"	663.463051	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1506330"	361.238451	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"971684"	369.204751	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"123872"	337.194002	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"564162"	488.306302	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1034783"	186.081702	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1253633"	381.143485	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1317175"	383.199472	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1332117"	405.181429	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"924270"	415.210186	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1300978"	451.186864	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1378048"	267.211924	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1385336"	285.2219	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"295238"	605.456476	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"689484"	907.681076	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1364007"	303.231876	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"140181"	303.231876	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"579745"	454.344176	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1047452"	152.119576	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"208067"	202.490342666667	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"645803"	303.231876	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1166117"	101.748809333333	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"428294"	622.483023	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"788560"	924.707623	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1684526"	320.258423	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"330331"	311.7451495	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"725589"	462.8574495	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1483783"	160.6328495	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"400279"	627.438418	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"760179"	929.663018	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1609370"	325.213818	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"322688"	314.222847	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"707250"	465.335147	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1461644"	163.110547	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1053067"	109.076123333333	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1258393"	335.258086	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"378424"	643.412358	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"741606"	945.636958	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1543294"	341.187758	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"310679"	322.209817	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"702737"	473.322117	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1456558"	171.097517	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"248442"	646.483026	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1222608"	344.258426	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1205033"	172.632851	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"200092"	649.42036	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"642205"	951.64496	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1141701"	347.19576	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"179160"	325.213818	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"621635"	476.326118	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1129152"	174.101518	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1413042"	116.403437333333	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1442972"	349.237346	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"233396"	330.24684	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1519635"	363.28939	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"417140"	333.200788	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"781416"	484.313088	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1674466"	182.088488	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"262080"	668.464968	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1233694"	366.240368	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1723672"	366.263893	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1185750"	123.730751333333	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1653457"	371.219288	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"159348"	681.36824	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"600975"	983.59284	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1089860"	379.14364	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"148863"	341.187758	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"587332"	492.300058	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1076218"	190.075458	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1112344"	381.158192	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1350065"	381.245807	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1013248"	385.284976	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1532467"	386.278608	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1005627"	193.146126	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1602551"	387.193228	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1427822"	417.224738	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1154831"	213.659401	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1708759"	434.251285	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1643316"	439.20668	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1578966"	455.18062	"C07198"	"Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"812614"	353.2103	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M"	0
"985054"	334.19191	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-H2O-H"	-19.01839
"73296"	234.466257333333	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M-3H"	-3.021828
"509578"	352.203024	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M-3H"	-3.021828
"889566"	116.729490666667	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-3H"	-3.021828
"15081"	352.203024	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M-2H"	-2.014552
"455372"	528.808174	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M-2H"	-2.014552
"831221"	175.597874	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-2H"	-2.014552
"87687"	705.413324	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M-H"	-1.007276
"523964"	1058.623624	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M-H"	-1.007276
"898485"	352.203024	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-H"	-1.007276
"52860"	722.439871	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M-2H+NH4"	16.019271
"491330"	1075.650171	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M-2H+NH4"	16.019271
"868040"	369.229571	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-2H+NH4"	16.019271
"39225"	727.395266	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M-2H+Na"	20.974666
"479883"	1080.605566	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M-2H+Na"	20.974666
"857684"	374.184966	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-2H+Na"	20.974666
"1626127"	374.184966	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Na-2H"	20.974666
"103749"	370.191363	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M-H+Cl"	33.962126
"543310"	546.796513	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M-H+Cl"	33.962126
"937916"	193.586213	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-H+Cl"	33.962126
"278661"	741.390002	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+Cl"	34.969402
"668895"	1094.600302	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+Cl"	34.969402
"1283486"	388.179702	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Cl"	34.969402
"22761"	743.369206	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M-2H+K"	36.948606
"466695"	1096.579506	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M-2H+K"	36.948606
"843403"	390.158906	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-2H+K"	36.948606
"1565799"	390.158906	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+K-2H"	36.948606
"948215"	398.208494	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-H+HCOOH"	44.998194
"371897"	751.418801	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+HCOOH-H"	44.998201
"350312"	765.434451	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+Hac-H"	59.013851
"1505708"	412.224151	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Hac-H"	59.013851
"972889"	420.190451	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-H+NaCOOH"	66.980151
"124346"	388.179702	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+2Cl"	69.938804
"564270"	564.784852	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+2Cl"	69.938804
"1033433"	211.574552	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2Cl"	69.938804
"1255564"	432.129185	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Br"	78.918885
"1319434"	434.185172	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Cl+HCOOH"	80.974872
"1332227"	456.167129	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Cl+NaCOOH"	102.956829
"924379"	466.195886	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M-H+CF3COOH"	112.985586
"1302181"	502.172564	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Cl+CF3COOH"	148.962264
"1381196"	318.197624	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H-2H2O"	-35.012676
"1385082"	336.2076	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H-H2O"	-17.0027
"296076"	707.427876	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+H"	1.007276
"689958"	1060.638176	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+H"	1.007276
"1357557"	354.217576	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H"	1.007276
"139561"	354.217576	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+2H"	2.014552
"577672"	530.822726	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+2H"	2.014552
"1048660"	177.612426	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2H"	2.014552
"210000"	236.480809333333	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+3H"	3.021828
"645549"	354.217576	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+3H"	3.021828
"1164401"	118.744042666667	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+3H"	3.021828
"425486"	724.454423	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+NH4"	18.033823
"787212"	1077.664723	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+NH4"	18.033823
"1686096"	371.244123	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+NH4"	18.033823
"332186"	362.7308495	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+H+NH4"	19.041099
"731167"	539.3359995	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+H+NH4"	19.041099
"1482800"	186.1256995	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H+NH4"	19.041099
"398201"	729.409818	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+Na"	22.989218
"759195"	1082.620118	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+Na"	22.989218
"1608387"	376.199518	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Na"	22.989218
"318423"	365.208547	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+H+Na"	23.996494
"707144"	541.813697	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+H+Na"	23.996494
"1461635"	188.603397	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H+Na"	23.996494
"1052971"	126.071356666667	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2H+Na"	25.00377
"1257163"	386.243786	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+CH3OH+H"	33.033486
"378047"	745.383758	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+K"	38.963158
"741352"	1098.594058	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+K"	38.963158
"1541339"	392.173458	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+K"	38.963158
"310424"	373.195517	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+H+K"	39.970434
"704669"	549.800667	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+H+K"	39.970434
"1458127"	196.590367	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H+K"	39.970434
"250498"	748.454426	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+ACN+H"	42.033826
"1222353"	395.244126	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+ACN+H"	42.033826
"1207329"	198.125701	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+ACN+2H"	43.041102
"202632"	751.39176	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+2Na-H"	44.97116
"643536"	1104.60206	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+2Na-H"	44.97116
"1146308"	398.18146	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2Na-H"	44.97116
"182186"	376.199518	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+2Na"	45.978436
"628068"	552.804668	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+2Na"	45.978436
"1129629"	199.594368	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2Na"	45.978436
"1412427"	133.398670666667	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H+2Na"	46.985712
"1442721"	400.223046	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H+HCOOH"	47.012746
"232414"	381.23254	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+3H2O+2H"	56.04448
"1519745"	414.27509	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+IsoProp+H"	61.06479
"417980"	384.186488	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+Na+K"	61.952376
"781166"	560.791638	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+Na+K"	61.952376
"1675306"	207.581338	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Na+K"	61.952376
"262919"	770.436368	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+ACN+Na"	64.015768
"1234533"	417.226068	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+ACN+Na"	64.015768
"1721596"	417.249593	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+NH4+HCOOH"	64.039293
"1187685"	140.725984666667	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+3Na"	68.967654
"1656848"	422.204988	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Na+HCOOH"	68.994688
"162617"	783.33964	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+2K-H"	76.91904
"604367"	1136.54994	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+2K-H"	76.91904
"1093252"	430.12934	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2K-H"	76.91904
"150069"	392.173458	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"2M+2K"	77.926316
"589630"	568.778608	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"3M+2K"	77.926316
"1080704"	215.568308	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2K"	77.926316
"1113183"	432.143892	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2K+H"	78.933592
"1349085"	432.231507	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+DMSO+H"	79.021207
"1013359"	436.270676	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2ACN+H"	83.060376
"1532577"	437.264308	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+IsoProp+Na+H"	84.054008
"1003765"	218.638976	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+2ACN+2H"	84.067652
"1601673"	438.178928	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+K+HCOOH"	84.968628
"1427205"	468.210438	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+H+CF3COOH"	115.000138
"1154941"	239.152251	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+3ACN+2H"	125.094202
"1708869"	485.236985	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+NH4+CF3COOH"	132.026685
"1643426"	490.19238	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+Na+CF3COOH"	136.98208
"1579076"	506.16632	"C07199"	"Methysergide"	"C21H27N3O2"	"353.2103"	"M+K+CF3COOH"	152.95602
"811631"	810.4204	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M"	0
"986987"	791.40201	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-H2O-H"	-19.01839
"70126"	539.272990666667	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M-3H"	-3.021828
"515155"	809.413124	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M-3H"	-3.021828
"892956"	269.132857333333	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-3H"	-3.021828
"15269"	809.413124	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M-2H"	-2.014552
"455355"	1214.623324	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M-2H"	-2.014552
"828899"	404.202924	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-2H"	-2.014552
"85609"	1619.833524	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M-H"	-1.007276
"527354"	2430.253924	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M-H"	-1.007276
"900783"	809.413124	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-H"	-1.007276
"50783"	1636.860071	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M-2H+NH4"	16.019271
"490347"	2447.280471	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M-2H+NH4"	16.019271
"869244"	826.439671	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-2H+NH4"	16.019271
"39335"	1641.815466	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M-2H+Na"	20.974666
"478900"	2452.235866	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M-2H+Na"	20.974666
"859981"	831.395066	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-2H+Na"	20.974666
"1625144"	831.395066	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Na-2H"	20.974666
"103859"	827.401463	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M-H+Cl"	33.962126
"544513"	1232.611663	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M-H+Cl"	33.962126
"933653"	422.191263	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-H+Cl"	33.962126
"274396"	1655.810202	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+Cl"	34.969402
"666816"	2466.230602	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+Cl"	34.969402
"1285416"	845.389802	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Cl"	34.969402
"26149"	1657.789406	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M-2H+K"	36.948606
"460242"	2468.209806	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M-2H+K"	36.948606
"841325"	847.369006	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-2H+K"	36.948606
"1561532"	847.369006	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+K-2H"	36.948606
"954520"	855.418594	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-H+HCOOH"	44.998194
"366537"	1665.839001	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+HCOOH-H"	44.998201
"354797"	1679.854651	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+Hac-H"	59.013851
"1504723"	869.434251	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Hac-H"	59.013851
"970077"	877.400551	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-H+NaCOOH"	66.980151
"120080"	845.389802	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+2Cl"	69.938804
"562557"	1250.600002	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+2Cl"	69.938804
"1035731"	440.179602	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2Cl"	69.938804
"1252392"	889.339285	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Br"	78.918885
"1318851"	891.395272	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Cl+HCOOH"	80.974872
"1332337"	913.377229	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Cl+NaCOOH"	102.956829
"919022"	923.405986	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M-H+CF3COOH"	112.985586
"1295730"	959.382664	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Cl+CF3COOH"	148.962264
"1382621"	775.407724	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H-2H2O"	-35.012676
"1390295"	793.4177	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H-H2O"	-17.0027
"288895"	1621.848076	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+H"	1.007276
"687516"	2432.268476	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+H"	1.007276
"1360947"	811.427676	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H"	1.007276
"136024"	811.427676	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+2H"	2.014552
"577778"	1216.637876	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+2H"	2.014552
"1045489"	406.217476	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2H"	2.014552
"209380"	541.287542666667	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+3H"	3.021828
"647117"	811.427676	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+3H"	3.021828
"1164876"	271.147409333333	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+3H"	3.021828
"424864"	1638.874623	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+NH4"	18.033823
"786955"	2449.295023	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+NH4"	18.033823
"1685110"	828.454223	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+NH4"	18.033823
"332659"	819.9409495	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+H+NH4"	19.041099
"729089"	1225.1511495	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+H+NH4"	19.041099
"1487284"	414.7307495	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H+NH4"	19.041099
"399402"	1643.830018	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+Na"	22.989218
"762584"	2454.250418	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+Na"	22.989218
"1608495"	833.409618	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Na"	22.989218
"318533"	822.418647	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+H+Na"	23.996494
"707438"	1227.628847	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+H+Na"	23.996494
"1461747"	417.208447	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H+Na"	23.996494
"1052926"	278.474723333333	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2H+Na"	25.00377
"1257884"	843.453886	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+CH3OH+H"	33.033486
"381926"	1659.803958	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+K"	38.963158
"744744"	2470.224358	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+K"	38.963158
"1546797"	849.383558	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+K"	38.963158
"309808"	830.405617	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+H+K"	39.970434
"698584"	1235.615817	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+H+K"	39.970434
"1457509"	425.195417	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H+K"	39.970434
"250121"	1662.874626	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+ACN+H"	42.033826
"1222828"	852.454226	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+ACN+H"	42.033826
"1205981"	426.730751	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+ACN+2H"	43.041102
"200310"	1665.81196	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+2Na-H"	44.97116
"642426"	2476.23236	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+2Na-H"	44.97116
"1145566"	855.39156	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2Na-H"	44.97116
"182296"	833.409618	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+2Na"	45.978436
"627572"	1238.619818	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+2Na"	45.978436
"1127920"	428.199418	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2Na"	45.978436
"1411444"	285.802037333333	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H+2Na"	46.985712
"1438817"	857.433146	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H+HCOOH"	47.012746
"231798"	838.44264	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+3H2O+2H"	56.04448
"1521682"	871.48519	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+IsoProp+H"	61.06479
"417727"	841.396588	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+Na+K"	61.952376
"782735"	1246.606788	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+Na+K"	61.952376
"1678700"	436.186388	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Na+K"	61.952376
"263032"	1684.856568	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+ACN+Na"	64.015768
"1234645"	874.436168	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+ACN+Na"	64.015768
"1718793"	874.459693	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+NH4+HCOOH"	64.039293
"1186702"	293.129351333333	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+3Na"	68.967654
"1657686"	879.415088	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Na+HCOOH"	68.994688
"161634"	1697.75984	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+2K-H"	76.91904
"600101"	2508.18024	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+2K-H"	76.91904
"1087892"	887.33944	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2K-H"	76.91904
"146895"	849.383558	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"2M+2K"	77.926316
"586457"	1254.593758	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"3M+2K"	77.926316
"1082274"	444.173358	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2K"	77.926316
"1112565"	889.353992	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2K+H"	78.933592
"1348709"	889.441607	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+DMSO+H"	79.021207
"1015657"	893.480776	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2ACN+H"	83.060376
"1535969"	894.474408	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+IsoProp+Na+H"	84.054008
"1002052"	447.244026	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+2ACN+2H"	84.067652
"1601781"	895.389028	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+K+HCOOH"	84.968628
"1428044"	925.420538	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+H+CF3COOH"	115.000138
"1155051"	467.757301	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+3ACN+2H"	125.094202
"1710073"	942.447085	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+NH4+CF3COOH"	132.026685
"1643536"	947.40248	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+Na+CF3COOH"	136.98208
"1576999"	963.37642	"C07201"	"Vinblastine"	"C46H58N4O9"	"810.4204"	"M+K+CF3COOH"	152.95602
"812834"	267.1834	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M"	0
"988554"	248.16501	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-H2O-H"	-19.01839
"74609"	177.114990666667	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M-3H"	-3.021828
"513077"	266.176124	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M-3H"	-3.021828
"893066"	88.0538573333333	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-3H"	-3.021828
"15704"	266.176124	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M-2H"	-2.014552
"455670"	399.767824	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M-2H"	-2.014552
"826821"	132.584424	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-2H"	-2.014552
"85719"	533.359524	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M-H"	-1.007276
"529286"	800.542924	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M-H"	-1.007276
"901986"	266.176124	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-H"	-1.007276
"53079"	550.386071	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M-2H+NH4"	16.019271
"489363"	817.569471	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M-2H+NH4"	16.019271
"870447"	283.202671	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-2H+NH4"	16.019271
"42725"	555.341466	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M-2H+Na"	20.974666
"479010"	822.524866	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M-2H+Na"	20.974666
"858997"	288.158066	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-2H+Na"	20.974666
"1621243"	288.158066	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Na-2H"	20.974666
"105063"	284.164463	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M-H+Cl"	33.962126
"545717"	417.756163	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M-H+Cl"	33.962126
"934857"	150.572763	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-H+Cl"	33.962126
"276693"	569.336202	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+Cl"	34.969402
"673123"	836.519602	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+Cl"	34.969402
"1287835"	302.152802	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Cl"	34.969402
"26259"	571.315406	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M-2H+K"	36.948606
"464727"	838.498806	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M-2H+K"	36.948606
"842529"	304.132006	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-2H+K"	36.948606
"1564922"	304.132006	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+K-2H"	36.948606
"952807"	312.181594	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-H+HCOOH"	44.998194
"368834"	579.365001	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+HCOOH-H"	44.998201
"361104"	593.380651	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+Hac-H"	59.013851
"1505926"	326.197251	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Hac-H"	59.013851
"969094"	334.163551	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-H+NaCOOH"	66.980151
"122376"	302.152802	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+2Cl"	69.938804
"565098"	435.744502	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+2Cl"	69.938804
"1036449"	168.561102	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2Cl"	69.938804
"1253961"	346.102285	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Br"	78.918885
"1318597"	348.158272	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Cl+HCOOH"	80.974872
"1332083"	370.140229	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Cl+NaCOOH"	102.956829
"925328"	380.168986	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M-H+CF3COOH"	112.985586
"1296933"	416.145664	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Cl+CF3COOH"	148.962264
"1382148"	232.170724	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H-2H2O"	-35.012676
"1393685"	250.1807	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H-H2O"	-17.0027
"291188"	535.374076	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+H"	1.007276
"685797"	802.557476	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+H"	1.007276
"1363609"	268.190676	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H"	1.007276
"136132"	268.190676	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+2H"	2.014552
"578250"	401.782376	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+2H"	2.014552
"1048879"	134.598976	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2H"	2.014552
"215686"	179.129542666667	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+3H"	3.021828
"647226"	268.190676	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+3H"	3.021828
"1166809"	90.0684093333333	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+3H"	3.021828
"427897"	552.400623	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+NH4"	18.033823
"789985"	819.584023	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+NH4"	18.033823
"1685587"	285.217223	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+NH4"	18.033823
"332404"	276.7039495	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+H+NH4"	19.041099
"728106"	410.2956495	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+H+NH4"	19.041099
"1485207"	143.1122495	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H+NH4"	19.041099
"399511"	557.356018	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+Na"	22.989218
"761599"	824.539418	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+Na"	22.989218
"1605326"	290.172618	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Na"	22.989218
"319735"	279.181647	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+H+Na"	23.996494
"708400"	412.773347	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+H+Na"	23.996494
"1463923"	145.589947	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H+Na"	23.996494
"1055951"	97.3957233333333	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2H+Na"	25.00377
"1259815"	300.216886	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+CH3OH+H"	33.033486
"381671"	573.329958	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+K"	38.963158
"748134"	840.513358	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+K"	38.963158
"1548000"	306.146558	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+K"	38.963158
"309552"	287.168617	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+H+K"	39.970434
"699787"	420.760317	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+H+K"	39.970434
"1457982"	153.576917	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H+K"	39.970434
"251085"	576.400626	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+ACN+H"	42.033826
"1224395"	309.217226	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+ACN+H"	42.033826
"1208643"	155.112251	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+ACN+2H"	43.041102
"202729"	579.33796	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+2Na-H"	44.97116
"639978"	846.52136	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+2Na-H"	44.97116
"1146491"	312.15456	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2Na-H"	44.97116
"182406"	290.172618	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+2Na"	45.978436
"628049"	423.764318	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+2Na"	45.978436
"1130097"	156.580918	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2Na"	45.978436
"1412648"	104.723037333333	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H+2Na"	46.985712
"1440020"	314.196146	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H+HCOOH"	47.012746
"233730"	295.20564	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+3H2O+2H"	56.04448
"1522885"	328.24819	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+IsoProp+H"	61.06479
"418204"	298.159588	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+Na+K"	61.952376
"781021"	431.751288	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+Na+K"	61.952376
"1676624"	164.567888	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Na+K"	61.952376
"261684"	598.382568	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+ACN+Na"	64.015768
"1234392"	331.199168	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+ACN+Na"	64.015768
"1719631"	331.222693	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+NH4+HCOOH"	64.039293
"1186082"	112.050351333333	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+3Na"	68.967654
"1657067"	336.178088	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Na+HCOOH"	68.994688
"163930"	611.28584	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+2K-H"	76.91904
"599846"	878.46924	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+2K-H"	76.91904
"1087274"	344.10244	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2K-H"	76.91904
"144821"	306.146558	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"2M+2K"	77.926316
"586569"	439.738258	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"3M+2K"	77.926316
"1082262"	172.554858	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2K"	77.926316
"1113650"	346.116992	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2K+H"	78.933592
"1349427"	346.204607	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+DMSO+H"	79.021207
"1014673"	350.243776	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2ACN+H"	83.060376
"1536809"	351.237408	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+IsoProp+Na+H"	84.054008
"1003621"	175.625526	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+2ACN+2H"	84.067652
"1601404"	352.152028	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+K+HCOOH"	84.968628
"1428153"	382.183538	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+H+CF3COOH"	115.000138
"1156255"	196.138801	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+3ACN+2H"	125.094202
"1710183"	399.210085	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+NH4+CF3COOH"	132.026685
"1643646"	404.16548	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+Na+CF3COOH"	136.98208
"1577109"	420.13942	"C07202"	"Metoprolol"	"C15H25NO3"	"267.1834"	"M+K+CF3COOH"	152.95602
"812944"	171.0644	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M"	0
"986477"	152.04601	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-H2O-H"	-19.01839
"71439"	113.035657333333	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M-3H"	-3.021828
"514281"	170.057124	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M-3H"	-3.021828
"892082"	56.0141906666667	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-3H"	-3.021828
"15408"	170.057124	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M-2H"	-2.014552
"454235"	255.589324	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M-2H"	-2.014552
"826931"	84.524924	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-2H"	-2.014552
"85830"	341.121524	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M-H"	-1.007276
"527575"	512.185924	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M-H"	-1.007276
"901002"	170.057124	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-H"	-1.007276
"54283"	358.148071	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M-2H+NH4"	16.019271
"490565"	529.212471	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M-2H+NH4"	16.019271
"867276"	187.083671	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-2H+NH4"	16.019271
"39554"	363.103466	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M-2H+Na"	20.974666
"483492"	534.167866	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M-2H+Na"	20.974666
"860200"	192.039066	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-2H+Na"	20.974666
"1622447"	192.039066	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Na-2H"	20.974666
"107360"	188.045463	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M-H+Cl"	33.962126
"547284"	273.577663	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M-H+Cl"	33.962126
"938248"	102.513263	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-H+Cl"	33.962126
"280083"	377.098202	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+Cl"	34.969402
"673233"	548.162602	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+Cl"	34.969402
"1288068"	206.033802	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Cl"	34.969402
"28557"	379.077406	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M-2H+K"	36.948606
"468119"	550.141806	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M-2H+K"	36.948606
"842640"	208.013006	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-2H+K"	36.948606
"1562846"	208.013006	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+K-2H"	36.948606
"955833"	216.062594	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-H+HCOOH"	44.998194
"372590"	387.127001	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+HCOOH-H"	44.998201
"360486"	401.142651	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+Hac-H"	59.013851
"1507134"	230.078251	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Hac-H"	59.013851
"973545"	238.044551	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-H+NaCOOH"	66.980151
"124553"	206.033802	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+2Cl"	69.938804
"565090"	291.566002	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+2Cl"	69.938804
"1036561"	120.501602	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2Cl"	69.938804
"1256746"	249.983285	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Br"	78.918885
"1319071"	252.039272	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Cl+HCOOH"	80.974872
"1332193"	274.021229	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Cl+NaCOOH"	102.956829
"923251"	284.049986	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M-H+CF3COOH"	112.985586
"1298136"	320.026664	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Cl+CF3COOH"	148.962264
"1382342"	136.051724	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H-2H2O"	-35.012676
"1392703"	154.0617	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H-H2O"	-17.0027
"291298"	343.136076	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+H"	1.007276
"685907"	514.200476	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+H"	1.007276
"1363354"	172.071676	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H"	1.007276
"135150"	172.071676	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+2H"	2.014552
"577632"	257.603876	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+2H"	2.014552
"1048620"	86.539476	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2H"	2.014552
"212515"	115.050209333333	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+3H"	3.021828
"646240"	172.071676	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+3H"	3.021828
"1164369"	58.0287426666667	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+3H"	3.021828
"427642"	360.162623	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+NH4"	18.033823
"787907"	531.227023	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+NH4"	18.033823
"1683873"	189.098223	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+NH4"	18.033823
"331784"	180.5849495	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+H+NH4"	19.041099
"726028"	266.1171495	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+H+NH4"	19.041099
"1482034"	95.0527495	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H+NH4"	19.041099
"396341"	365.118018	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+Na"	22.989218
"761711"	536.182418	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+Na"	22.989218
"1602825"	194.053618	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Na"	22.989218
"318752"	183.062647	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+H+Na"	23.996494
"708262"	268.594847	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+H+Na"	23.996494
"1463912"	97.530447	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H+Na"	23.996494
"1054966"	65.3560566666667	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2H+Na"	25.00377
"1259196"	204.097886	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+CH3OH+H"	33.033486
"378865"	381.091958	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+K"	38.963158
"744964"	552.156358	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+K"	38.963158
"1551391"	210.027558	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+K"	38.963158
"307475"	191.049617	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+H+K"	39.970434
"702084"	276.581817	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+H+K"	39.970434
"1460280"	105.517417	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H+K"	39.970434
"250341"	384.162626	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+ACN+H"	42.033826
"1223653"	213.098226	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+ACN+H"	42.033826
"1207658"	107.052751	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+ACN+2H"	43.041102
"200528"	387.09996	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+2Na-H"	44.97116
"641181"	558.16436	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+2Na-H"	44.97116
"1146398"	216.03556	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2Na-H"	44.97116
"187378"	194.053618	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+2Na"	45.978436
"628036"	279.585818	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+2Na"	45.978436
"1130324"	108.521418	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2Na"	45.978436
"1411297"	72.6833706666667	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H+2Na"	46.985712
"1444508"	218.077146	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H+HCOOH"	47.012746
"233477"	199.08664	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+3H2O+2H"	56.04448
"1521907"	232.12919	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+IsoProp+H"	61.06479
"417583"	202.040588	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+Na+K"	61.952376
"780765"	287.572788	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+Na+K"	61.952376
"1677826"	116.508388	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Na+K"	61.952376
"263251"	406.144568	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+ACN+Na"	64.015768
"1235230"	235.080168	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+ACN+Na"	64.015768
"1723751"	235.103693	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+NH4+HCOOH"	64.039293
"1187285"	80.0106846666667	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+3Na"	68.967654
"1656086"	240.059088	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Na+HCOOH"	68.994688
"162947"	419.04784	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+2K-H"	76.91904
"601417"	590.11224	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+2K-H"	76.91904
"1085682"	247.98344	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2K-H"	76.91904
"143837"	210.027558	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"2M+2K"	77.926316
"588864"	295.559758	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"3M+2K"	77.926316
"1081399"	124.495358	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2K"	77.926316
"1114976"	249.997992	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2K+H"	78.933592
"1350264"	250.085607	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+DMSO+H"	79.021207
"1016971"	254.124776	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2ACN+H"	83.060376
"1536190"	255.118408	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+IsoProp+Na+H"	84.054008
"1003368"	127.566026	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+2ACN+2H"	84.067652
"1599692"	256.033028	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+K+HCOOH"	84.968628
"1429601"	286.064538	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+H+CF3COOH"	115.000138
"1156366"	148.079301	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+3ACN+2H"	125.094202
"1705920"	303.091085	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+NH4+CF3COOH"	132.026685
"1642663"	308.04648	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+Na+CF3COOH"	136.98208
"1576126"	324.02042	"C07203"	"Metronidazole"	"C6H9N3O3"	"171.0644"	"M+K+CF3COOH"	152.95602
"813054"	824.3996	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M"	0
"986587"	805.38121	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-H2O-H"	-19.01839
"72642"	548.592457333333	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M-3H"	-3.021828
"515484"	823.392324	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M-3H"	-3.021828
"893286"	273.792590666667	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-3H"	-3.021828
"10766"	823.392324	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M-2H"	-2.014552
"455036"	1235.592124	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M-2H"	-2.014552
"830324"	411.192524	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-2H"	-2.014552
"85940"	1647.791924	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M-H"	-1.007276
"524404"	2472.191524	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M-H"	-1.007276
"900018"	823.392324	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-H"	-1.007276
"56580"	1664.818471	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M-2H+NH4"	16.019271
"489584"	2489.218071	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M-2H+NH4"	16.019271
"866293"	840.418871	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-2H+NH4"	16.019271
"39664"	1669.773866	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M-2H+Na"	20.974666
"477036"	2494.173466	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M-2H+Na"	20.974666
"859216"	845.374266	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-2H+Na"	20.974666
"1623287"	845.374266	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Na-2H"	20.974666
"99816"	841.380663	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M-H+Cl"	33.962126
"547030"	1253.580463	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M-H+Cl"	33.962126
"933984"	429.180863	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-H+Cl"	33.962126
"276912"	1683.768602	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+Cl"	34.969402
"674437"	2508.168202	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+Cl"	34.969402
"1282830"	859.369002	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Cl"	34.969402
"27574"	1685.747806	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M-2H+K"	36.948606
"462760"	2510.147406	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M-2H+K"	36.948606
"842750"	861.348206	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-2H+K"	36.948606
"1564050"	861.348206	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+K-2H"	36.948606
"953027"	869.397794	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-H+HCOOH"	44.998194
"372700"	1693.797401	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+HCOOH-H"	44.998201
"355127"	1707.813051	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+Hac-H"	59.013851
"1507245"	883.413451	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Hac-H"	59.013851
"972232"	891.379751	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-H+NaCOOH"	66.980151
"124542"	859.369002	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+2Cl"	69.938804
"565565"	1271.568802	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+2Cl"	69.938804
"1036061"	447.169202	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2Cl"	69.938804
"1257006"	903.318485	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Br"	78.918885
"1314077"	905.374472	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Cl+HCOOH"	80.974872
"1330846"	927.356429	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Cl+NaCOOH"	102.956829
"920445"	937.385186	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M-H+CF3COOH"	112.985586
"1298246"	973.361864	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Cl+CF3COOH"	148.962264
"1381879"	789.386924	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H-2H2O"	-35.012676
"1395730"	807.3969	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H-H2O"	-17.0027
"293594"	1649.806476	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+H"	1.007276
"688202"	2474.206076	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+H"	1.007276
"1363459"	825.406876	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H"	1.007276
"131980"	825.406876	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+2H"	2.014552
"576287"	1237.606676	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+2H"	2.014552
"1049819"	413.207076	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2H"	2.014552
"212627"	550.607009333333	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+3H"	3.021828
"645259"	825.406876	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+3H"	3.021828
"1169217"	275.807142666667	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+3H"	3.021828
"425564"	1666.833023	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+NH4"	18.033823
"790204"	2491.232623	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+NH4"	18.033823
"1685442"	842.433423	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+NH4"	18.033823
"330799"	833.9201495	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+H+NH4"	19.041099
"726138"	1246.1199495	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+H+NH4"	19.041099
"1482144"	421.7203495	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H+NH4"	19.041099
"396451"	1671.788418	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+Na"	22.989218
"759635"	2496.188018	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+Na"	22.989218
"1604451"	847.388818	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Na"	22.989218
"316676"	836.397847	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+H+Na"	23.996494
"707237"	1248.597647	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+H+Na"	23.996494
"1464022"	424.198047	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H+Na"	23.996494
"1055440"	283.134456666667	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2H+Na"	25.00377
"1260035"	857.433086	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+CH3OH+H"	33.033486
"379097"	1687.762358	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+K"	38.963158
"745074"	2512.161958	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+K"	38.963158
"1550408"	863.362758	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+K"	38.963158
"309774"	844.384817	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+H+K"	39.970434
"703287"	1256.584617	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+H+K"	39.970434
"1458931"	432.185017	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H+K"	39.970434
"249963"	1690.833026	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+ACN+H"	42.033826
"1224007"	866.433426	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+ACN+H"	42.033826
"1207525"	433.720351	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+ACN+2H"	43.041102
"201731"	1693.77036	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+2Na-H"	44.97116
"640198"	2518.16996	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+2Na-H"	44.97116
"1146144"	869.37076	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2Na-H"	44.97116
"185905"	847.388818	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+2Na"	45.978436
"627421"	1259.588618	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+2Na"	45.978436
"1130436"	435.189018	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2Na"	45.978436
"1410679"	290.461770666667	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H+2Na"	46.985712
"1442067"	871.412346	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H+HCOOH"	47.012746
"232493"	852.42184	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+3H2O+2H"	56.04448
"1520559"	885.46439	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+IsoProp+H"	61.06479
"418055"	855.375788	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+Na+K"	61.952376
"781603"	1267.575588	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+Na+K"	61.952376
"1675748"	443.175988	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Na+K"	61.952376
"260445"	1712.814968	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+ACN+Na"	64.015768
"1232062"	888.415368	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+ACN+Na"	64.015768
"1720947"	888.438893	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+NH4+HCOOH"	64.039293
"1182293"	297.789084666667	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+3Na"	68.967654
"1654009"	893.394288	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Na+HCOOH"	68.994688
"159778"	1725.71824	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+2K-H"	76.91904
"601526"	2550.11784	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+2K-H"	76.91904
"1086157"	901.31864	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2K-H"	76.91904
"143582"	863.362758	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"2M+2K"	77.926316
"586786"	1275.562558	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"3M+2K"	77.926316
"1081143"	451.162958	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2K"	77.926316
"1114353"	903.333192	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2K+H"	78.933592
"1349279"	903.420807	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+DMSO+H"	79.021207
"1019269"	907.459976	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2ACN+H"	83.060376
"1538489"	908.453608	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+IsoProp+Na+H"	84.054008
"1005461"	454.233626	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+2ACN+2H"	84.067652
"1600527"	909.368228	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+K+HCOOH"	84.968628
"1427281"	939.399738	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+H+CF3COOH"	115.000138
"1155383"	474.746901	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+3ACN+2H"	125.094202
"1704937"	956.426285	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+NH4+CF3COOH"	132.026685
"1642773"	961.38168	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+Na+CF3COOH"	136.98208
"1576236"	977.35562	"C07204"	"Vincristine;22-Oxovincaleukoblastine"	"C46H56N4O10"	"824.3996"	"M+K+CF3COOH"	152.95602
"813164"	226.1106	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M"	0
"986697"	207.09221	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-H2O-H"	-19.01839
"72752"	149.733124	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M-3H"	-3.021828
"515594"	225.103324	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M-3H"	-3.021828
"893395"	74.362924	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-3H"	-3.021828
"8689"	225.103324	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M-2H"	-2.014552
"455066"	338.158624	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M-2H"	-2.014552
"829340"	112.048024	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-2H"	-2.014552
"88234"	451.213924	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M-H"	-1.007276
"526701"	677.324524	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M-H"	-1.007276
"900128"	225.103324	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-H"	-1.007276
"56690"	468.240471	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M-2H+NH4"	16.019271
"488110"	694.351071	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M-2H+NH4"	16.019271
"864819"	242.129871	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-2H+NH4"	16.019271
"39774"	473.195866	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M-2H+Na"	20.974666
"475324"	699.306466	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M-2H+Na"	20.974666
"860419"	247.085266	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-2H+Na"	20.974666
"1622667"	247.085266	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Na-2H"	20.974666
"99926"	243.091663	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M-H+Cl"	33.962126
"542766"	356.146963	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M-H+Cl"	33.962126
"928383"	130.036363	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-H+Cl"	33.962126
"277022"	487.190602	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+Cl"	34.969402
"670537"	713.301202	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+Cl"	34.969402
"1281846"	261.080002	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Cl"	34.969402
"23310"	489.169806	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M-2H+K"	36.948606
"462870"	715.280406	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M-2H+K"	36.948606
"836300"	263.059206	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-2H+K"	36.948606
"1561973"	263.059206	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+K-2H"	36.948606
"953137"	271.108794	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-H+HCOOH"	44.998194
"370258"	497.219401	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+HCOOH-H"	44.998201
"357059"	511.235051	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+Hac-H"	59.013851
"1508082"	285.124451	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Hac-H"	59.013851
"973679"	293.090751	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-H+NaCOOH"	66.980151
"124778"	261.080002	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+2Cl"	69.938804
"562267"	374.135302	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+2Cl"	69.938804
"1036421"	148.024702	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2Cl"	69.938804
"1256240"	305.029485	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Br"	78.918885
"1317468"	307.085472	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Cl+HCOOH"	80.974872
"1331684"	329.067429	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Cl+NaCOOH"	102.956829
"924930"	339.096186	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M-H+CF3COOH"	112.985586
"1301638"	375.072864	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Cl+CF3COOH"	148.962264
"1382353"	191.097924	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H-2H2O"	-35.012676
"1396204"	209.1079	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H-H2O"	-17.0027
"292611"	453.228476	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+H"	1.007276
"688312"	679.339076	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+H"	1.007276
"1366366"	227.117876	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H"	1.007276
"133184"	227.117876	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+2H"	2.014552
"576032"	340.173176	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+2H"	2.014552
"1050293"	114.062576	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2H"	2.014552
"212737"	151.747676	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+3H"	3.021828
"646827"	227.117876	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+3H"	3.021828
"1169329"	76.377476	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+3H"	3.021828
"426037"	470.255023	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+NH4"	18.033823
"791408"	696.365623	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+NH4"	18.033823
"1685553"	244.144423	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+NH4"	18.033823
"332003"	235.6311495	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+H+NH4"	19.041099
"727343"	348.6864495	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+H+NH4"	19.041099
"1481164"	122.5758495	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H+NH4"	19.041099
"399843"	475.210418	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+Na"	22.989218
"761931"	701.321018	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+Na"	22.989218
"1604561"	249.099818	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Na"	22.989218
"318973"	238.108847	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+H+Na"	23.996494
"707259"	351.164147	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+H+Na"	23.996494
"1461943"	125.053547	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H+Na"	23.996494
"1052852"	83.70479	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2H+Na"	25.00377
"1259418"	259.144086	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+CH3OH+H"	33.033486
"378356"	491.184358	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+K"	38.963158
"742999"	717.294958	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+K"	38.963158
"1547238"	265.073758	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+K"	38.963158
"307697"	246.095817	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+H+K"	39.970434
"699025"	359.151117	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+H+K"	39.970434
"1456123"	133.040517	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H+K"	39.970434
"246913"	494.255026	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+ACN+H"	42.033826
"1221807"	268.144426	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+ACN+H"	42.033826
"1207756"	134.575851	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+ACN+2H"	43.041102
"200749"	497.19236	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+2Na-H"	44.97116
"639215"	723.30296	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+2Na-H"	44.97116
"1145282"	271.08176	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2Na-H"	44.97116
"185288"	249.099818	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+2Na"	45.978436
"627526"	362.155118	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+2Na"	45.978436
"1129454"	136.044518	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2Na"	45.978436
"1412126"	91.032104	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H+2Na"	46.985712
"1444001"	273.123346	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H+HCOOH"	47.012746
"232968"	254.13284	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+3H2O+2H"	56.04448
"1521033"	287.17539	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+IsoProp+H"	61.06479
"421081"	257.086788	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+Na+K"	61.952376
"782807"	370.142088	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+Na+K"	61.952376
"1676951"	144.031488	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Na+K"	61.952376
"263473"	516.236968	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+ACN+Na"	64.015768
"1232172"	290.126368	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+ACN+Na"	64.015768
"1719966"	290.149893	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+NH4+HCOOH"	64.039293
"1181311"	98.359418	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+3Na"	68.967654
"1654119"	295.105288	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Na+HCOOH"	68.994688
"160251"	529.14024	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+2K-H"	76.91904
"598356"	755.25084	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+2K-H"	76.91904
"1085174"	303.02964	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2K-H"	76.91904
"144056"	265.073758	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"2M+2K"	77.926316
"585075"	378.129058	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"3M+2K"	77.926316
"1079067"	152.018458	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2K"	77.926316
"1115194"	305.044192	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2K+H"	78.933592
"1351136"	305.131807	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+DMSO+H"	79.021207
"1021124"	309.170976	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2ACN+H"	83.060376
"1537503"	310.164608	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+IsoProp+Na+H"	84.054008
"1005412"	155.089126	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+2ACN+2H"	84.067652
"1602463"	311.079228	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+K+HCOOH"	84.968628
"1427393"	341.110738	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+H+CF3COOH"	115.000138
"1154398"	175.602401	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+3ACN+2H"	125.094202
"1700670"	358.137285	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+NH4+CF3COOH"	132.026685
"1642883"	363.09268	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+Na+CF3COOH"	136.98208
"1574159"	379.06662	"C07205"	"Metyrapone"	"C14H14N2O"	"226.1106"	"M+K+CF3COOH"	152.95602
"809994"	575.209	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M"	0
"985715"	556.19061	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-H2O-H"	-19.01839
"76873"	382.465390666667	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M-3H"	-3.021828
"518099"	574.201724	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M-3H"	-3.021828
"893141"	190.729057333333	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-3H"	-3.021828
"8800"	574.201724	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M-2H"	-2.014552
"454443"	861.806224	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M-2H"	-2.014552
"830423"	286.597224	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-2H"	-2.014552
"86160"	1149.410724	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M-H"	-1.007276
"527905"	1724.619724	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M-H"	-1.007276
"902425"	574.201724	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-H"	-1.007276
"56800"	1166.437271	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M-2H+NH4"	16.019271
"487613"	1741.646271	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M-2H+NH4"	16.019271
"865293"	591.228271	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-2H+NH4"	16.019271
"45962"	1171.392666	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M-2H+Na"	20.974666
"480538"	1746.601666	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M-2H+Na"	20.974666
"859436"	596.183666	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-2H+Na"	20.974666
"1625693"	596.183666	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Na-2H"	20.974666
"102223"	592.190063	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M-H+Cl"	33.962126
"545063"	879.794563	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M-H+Cl"	33.962126
"933112"	304.585563	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-H+Cl"	33.962126
"277132"	1185.387402	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+Cl"	34.969402
"672837"	1760.596402	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+Cl"	34.969402
"1285243"	610.178402	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Cl"	34.969402
"30109"	1187.366606	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M-2H+K"	36.948606
"469910"	1762.575606	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M-2H+K"	36.948606
"844795"	612.157606	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-2H+K"	36.948606
"1569376"	612.157606	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+K-2H"	36.948606
"956896"	620.207194	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-H+HCOOH"	44.998194
"373652"	1195.416201	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+HCOOH-H"	44.998201
"357536"	1209.431851	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+Hac-H"	59.013851
"1507466"	634.222851	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Hac-H"	59.013851
"973186"	642.189151	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-H+NaCOOH"	66.980151
"125615"	610.178402	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+2Cl"	69.938804
"565422"	897.782902	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+2Cl"	69.938804
"1036528"	322.573902	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2Cl"	69.938804
"1256226"	654.127885	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Br"	78.918885
"1319813"	656.183872	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Cl+HCOOH"	80.974872
"1335567"	678.165829	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Cl+NaCOOH"	102.956829
"925040"	688.194586	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M-H+CF3COOH"	112.985586
"1301748"	724.171264	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Cl+CF3COOH"	148.962264
"1382591"	540.196324	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H-2H2O"	-35.012676
"1396680"	558.2063	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H-H2O"	-17.0027
"298455"	1151.425276	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+H"	1.007276
"690939"	1726.634276	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+H"	1.007276
"1364775"	576.216276	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H"	1.007276
"135483"	576.216276	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+2H"	2.014552
"578327"	863.820776	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+2H"	2.014552
"1044939"	288.611776	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2H"	2.014552
"215396"	384.479942666667	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+3H"	3.021828
"654588"	576.216276	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+3H"	3.021828
"1170531"	192.743609333333	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+3H"	3.021828
"427242"	1168.451823	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+NH4"	18.033823
"793706"	1743.660823	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+NH4"	18.033823
"1685663"	593.242823	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+NH4"	18.033823
"332479"	584.7295495	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+H+NH4"	19.041099
"726360"	872.3340495	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+H+NH4"	19.041099
"1485648"	297.1250495	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H+NH4"	19.041099
"399955"	1173.407218	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+Na"	22.989218
"762042"	1748.616218	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+Na"	22.989218
"1606858"	598.198218	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Na"	22.989218
"321268"	587.207247	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+H+Na"	23.996494
"707575"	874.811747	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+H+Na"	23.996494
"1463874"	299.602747	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H+Na"	23.996494
"1053341"	200.070923333333	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2H+Na"	25.00377
"1257703"	608.242486	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+CH3OH+H"	33.033486
"380292"	1189.381158	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+K"	38.963158
"740556"	1764.590158	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+K"	38.963158
"1547350"	614.172158	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+K"	38.963158
"309994"	595.194217	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+H+K"	39.970434
"701320"	882.798717	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+H+K"	39.970434
"1455139"	307.589717	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H+K"	39.970434
"249211"	1192.451826	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+ACN+H"	42.033826
"1223742"	617.242826	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+ACN+H"	42.033826
"1206894"	309.125051	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+ACN+2H"	43.041102
"200859"	1195.38916	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+2Na-H"	44.97116
"639325"	1770.59816	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+2Na-H"	44.97116
"1145514"	620.18016	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2Na-H"	44.97116
"187103"	598.198218	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+2Na"	45.978436
"627147"	885.802718	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+2Na"	45.978436
"1129805"	310.593718	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2Na"	45.978436
"1411992"	207.398237333333	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H+2Na"	46.985712
"1443385"	622.221746	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H+HCOOH"	47.012746
"232715"	603.23124	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+3H2O+2H"	56.04448
"1521142"	636.27379	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+IsoProp+H"	61.06479
"421191"	606.185188	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+Na+K"	61.952376
"782551"	893.789688	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+Na+K"	61.952376
"1678883"	318.580688	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Na+K"	61.952376
"263218"	1214.433768	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+ACN+Na"	64.015768
"1231190"	639.224768	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+ACN+Na"	64.015768
"1713107"	639.248293	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+NH4+HCOOH"	64.039293
"1178826"	214.725551333333	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+3Na"	68.967654
"1652043"	644.203688	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Na+HCOOH"	68.994688
"159998"	1227.33704	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+2K-H"	76.91904
"598830"	1802.54604	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+2K-H"	76.91904
"1085284"	652.12804	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2K-H"	76.91904
"142587"	614.172158	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"2M+2K"	77.926316
"584822"	901.776658	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"3M+2K"	77.926316
"1082458"	326.567658	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2K"	77.926316
"1114573"	654.142592	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2K+H"	78.933592
"1350842"	654.230207	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+DMSO+H"	79.021207
"1021330"	658.269376	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2ACN+H"	83.060376
"1539438"	659.263008	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+IsoProp+Na+H"	84.054008
"1005241"	329.638326	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+2ACN+2H"	84.067652
"1601845"	660.177628	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+K+HCOOH"	84.968628
"1422034"	690.209138	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+H+CF3COOH"	115.000138
"1154509"	350.151601	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+3ACN+2H"	125.094202
"1700784"	707.235685	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+NH4+CF3COOH"	132.026685
"1641901"	712.19108	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+Na+CF3COOH"	136.98208
"1583018"	728.16502	"C07206"	"Zafirlukast"	"C31H33N3O6S"	"575.209"	"M+K+CF3COOH"	152.95602
"810104"	211.0957	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M"	0
"983638"	192.07731	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-H2O-H"	-19.01839
"77347"	139.723190666667	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M-3H"	-3.021828
"515814"	210.088424	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M-3H"	-3.021828
"895361"	69.3579573333333	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-3H"	-3.021828
"12190"	210.088424	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M-2H"	-2.014552
"449565"	315.636274	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M-2H"	-2.014552
"829919"	104.540574	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-2H"	-2.014552
"93441"	421.184124	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M-H"	-1.007276
"523644"	632.279824	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M-H"	-1.007276
"899258"	210.088424	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-H"	-1.007276
"53631"	438.210671	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M-2H+NH4"	16.019271
"488941"	649.306371	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M-2H+NH4"	16.019271
"865766"	227.114971	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-2H+NH4"	16.019271
"45341"	443.166066	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M-2H+Na"	20.974666
"485024"	654.261766	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M-2H+Na"	20.974666
"860640"	232.070366	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-2H+Na"	20.974666
"1629812"	232.070366	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Na-2H"	20.974666
"96500"	228.076763	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M-H+Cl"	33.962126
"541893"	333.624613	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M-H+Cl"	33.962126
"934315"	122.528913	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-H+Cl"	33.962126
"279432"	457.160802	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+Cl"	34.969402
"671854"	668.256502	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+Cl"	34.969402
"1286081"	246.065102	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Cl"	34.969402
"30341"	459.140006	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M-2H+K"	36.948606
"470383"	670.235706	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M-2H+K"	36.948606
"845998"	248.044306	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-2H+K"	36.948606
"1570216"	248.044306	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+K-2H"	36.948606
"958099"	256.093894	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-H+HCOOH"	44.998194
"374490"	467.189601	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+HCOOH-H"	44.998201
"357646"	481.205251	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+Hac-H"	59.013851
"1507820"	270.109551	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Hac-H"	59.013851
"972565"	278.075851	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-H+NaCOOH"	66.980151
"125362"	246.065102	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+2Cl"	69.938804
"565640"	351.612952	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+2Cl"	69.938804
"1037042"	140.517252	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2Cl"	69.938804
"1256338"	290.014585	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Br"	78.918885
"1319602"	292.070572	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Cl+HCOOH"	80.974872
"1335358"	314.052529	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Cl+NaCOOH"	102.956829
"924786"	324.081286	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M-H+CF3COOH"	112.985586
"1300765"	360.057964	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Cl+CF3COOH"	148.962264
"1381117"	176.083024	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H-2H2O"	-35.012676
"1395332"	194.093	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H-H2O"	-17.0027
"297939"	423.198676	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+H"	1.007276
"690725"	634.294376	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+H"	1.007276
"1364521"	212.102976	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H"	1.007276
"135594"	212.102976	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+2H"	2.014552
"577347"	317.650826	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+2H"	2.014552
"1049061"	106.555126	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2H"	2.014552
"215142"	141.737742666667	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+3H"	3.021828
"658345"	212.102976	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+3H"	3.021828
"1171735"	71.3725093333333	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+3H"	3.021828
"428446"	440.225223	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+NH4"	18.033823
"791630"	651.320923	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+NH4"	18.033823
"1684679"	229.129523	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+NH4"	18.033823
"332589"	220.6162495	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+H+NH4"	19.041099
"725377"	326.1640995	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+H+NH4"	19.041099
"1485757"	115.0683995	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H+NH4"	19.041099
"402251"	445.180618	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+Na"	22.989218
"764339"	656.276318	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+Na"	22.989218
"1606969"	234.084918	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Na"	22.989218
"318099"	223.093947	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+H+Na"	23.996494
"708339"	328.641797	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+H+Na"	23.996494
"1462159"	117.546097	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H+Na"	23.996494
"1055041"	78.6998233333333	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2H+Na"	25.00377
"1258664"	244.129186	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+CH3OH+H"	33.033486
"377721"	461.154558	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+K"	38.963158
"742490"	672.250258	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+K"	38.963158
"1546364"	250.058858	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+K"	38.963158
"306820"	231.080917	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+H+K"	39.970434
"695961"	336.628767	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+H+K"	39.970434
"1451968"	125.533067	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H+K"	39.970434
"250047"	464.225226	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+ACN+H"	42.033826
"1218746"	253.129526	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+ACN+H"	42.033826
"1207003"	127.068401	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+ACN+2H"	43.041102
"203726"	467.16256	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+2Na-H"	44.97116
"637247"	678.25826	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+2Na-H"	44.97116
"1145621"	256.06686	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2Na-H"	44.97116
"179676"	234.084918	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+2Na"	45.978436
"627744"	339.632768	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+2Na"	45.978436
"1129915"	128.537068	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2Na"	45.978436
"1412466"	86.0271373333333	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H+2Na"	46.985712
"1444345"	258.108446	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H+HCOOH"	47.012746
"233555"	239.11794	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+3H2O+2H"	56.04448
"1520525"	272.16049	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+IsoProp+H"	61.06479
"422518"	242.071888	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+Na+K"	61.952376
"784606"	347.619738	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+Na+K"	61.952376
"1679237"	136.524038	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Na+K"	61.952376
"262965"	486.207168	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+ACN+Na"	64.015768
"1232394"	275.111468	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+ACN+Na"	64.015768
"1715812"	275.134993	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+NH4+HCOOH"	64.039293
"1180072"	93.3544513333333	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+3Na"	68.967654
"1653247"	280.090388	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Na+HCOOH"	68.994688
"160110"	499.11044	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+2K-H"	76.91904
"601856"	710.20614	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+2K-H"	76.91904
"1084586"	288.01474	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2K-H"	76.91904
"142576"	250.058858	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"2M+2K"	77.926316
"587120"	355.606708	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"3M+2K"	77.926316
"1082567"	144.511008	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2K"	77.926316
"1114929"	290.029292	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2K+H"	78.933592
"1351203"	290.116907	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+DMSO+H"	79.021207
"1021190"	294.156076	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2ACN+H"	83.060376
"1539185"	295.149708	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+IsoProp+Na+H"	84.054008
"1005593"	147.581676	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+2ACN+2H"	84.067652
"1602282"	296.064328	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+K+HCOOH"	84.968628
"1423237"	326.095838	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+H+CF3COOH"	115.000138
"1155712"	168.094951	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+3ACN+2H"	125.094202
"1700894"	343.122385	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+NH4+CF3COOH"	132.026685
"1642011"	348.07778	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+Na+CF3COOH"	136.98208
"1583128"	364.05172	"C07207"	"Zalcitabine;23-Dideoxycytidine"	"C9H13N3O3"	"211.0957"	"M+K+CF3COOH"	152.95602
"810214"	106.0783	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M"	0
"989215"	87.05991	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-H2O-H"	-19.01839
"78404"	69.7115906666667	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M-3H"	-3.021828
"518366"	105.071024	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M-3H"	-3.021828
"895428"	34.3521573333333	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-3H"	-3.021828
"15586"	105.071024	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M-2H"	-2.014552
"455143"	158.110174	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M-2H"	-2.014552
"831852"	52.031874	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-2H"	-2.014552
"93922"	211.149324	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M-H"	-1.007276
"527034"	317.227624	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M-H"	-1.007276
"901555"	105.071024	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-H"	-1.007276
"57021"	228.175871	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M-2H+NH4"	16.019271
"491113"	334.254171	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M-2H+NH4"	16.019271
"867092"	122.097571	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-2H+NH4"	16.019271
"38281"	233.131266	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M-2H+Na"	20.974666
"482945"	339.209566	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M-2H+Na"	20.974666
"859655"	127.052966	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-2H+Na"	20.974666
"1631381"	127.052966	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Na-2H"	20.974666
"98069"	123.059363	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M-H+Cl"	33.962126
"545283"	176.098513	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M-H+Cl"	33.962126
"935518"	70.020213	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-H+Cl"	33.962126
"279542"	247.126002	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+Cl"	34.969402
"673060"	353.204302	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+Cl"	34.969402
"1285829"	141.047702	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Cl"	34.969402
"31224"	249.105206	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M-2H+K"	36.948606
"470857"	355.183506	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M-2H+K"	36.948606
"847202"	143.026906	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-2H+K"	36.948606
"1570326"	143.026906	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+K-2H"	36.948606
"958293"	151.076494	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-H+HCOOH"	44.998194
"376056"	257.154801	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+HCOOH-H"	44.998201
"358484"	271.170451	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+Hac-H"	59.013851
"1507319"	165.092151	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Hac-H"	59.013851
"974043"	173.058451	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-H+NaCOOH"	66.980151
"125613"	141.047702	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+2Cl"	69.938804
"565647"	194.086852	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+2Cl"	69.938804
"1036907"	88.008552	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2Cl"	69.938804
"1257022"	184.997185	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Br"	78.918885
"1319630"	187.053172	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Cl+HCOOH"	80.974872
"1335184"	209.035129	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Cl+NaCOOH"	102.956829
"927028"	219.063886	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M-H+CF3COOH"	112.985586
"1303428"	255.040564	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Cl+CF3COOH"	148.962264
"1381592"	71.065624	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H-2H2O"	-35.012676
"1397264"	89.0756	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H-H2O"	-17.0027
"298297"	213.163876	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+H"	1.007276
"691193"	319.242176	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+H"	1.007276
"1365724"	107.085576	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H"	1.007276
"137891"	107.085576	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+2H"	2.014552
"576729"	160.124726	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+2H"	2.014552
"1050631"	54.046426	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2H"	2.014552
"217803"	71.7261426666667	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+3H"	3.021828
"656631"	107.085576	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+3H"	3.021828
"1176217"	36.3667093333333	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+3H"	3.021828
"435118"	230.190423	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+NH4"	18.033823
"795020"	336.268723	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+NH4"	18.033823
"1686976"	124.112123	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+NH4"	18.033823
"333428"	115.5988495	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+H+NH4"	19.041099
"727676"	168.6379995	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+H+NH4"	19.041099
"1489148"	62.5596995	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H+NH4"	19.041099
"402362"	235.145818	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+Na"	22.989218
"766636"	341.224118	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+Na"	22.989218
"1610359"	129.067518	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Na"	22.989218
"322582"	118.076547	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+H+Na"	23.996494
"707962"	171.115697	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+H+Na"	23.996494
"1462022"	65.037397	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H+Na"	23.996494
"1053320"	43.6940233333333	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2H+Na"	25.00377
"1258044"	139.111786	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+CH3OH+H"	33.033486
"377301"	251.119758	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+K"	38.963158
"744422"	357.198058	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+K"	38.963158
"1542099"	145.041458	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+K"	38.963158
"306930"	126.063517	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+H+K"	39.970434
"699351"	179.102667	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+H+K"	39.970434
"1456452"	73.024367	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H+K"	39.970434
"250401"	254.190426	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+ACN+H"	42.033826
"1219949"	148.112126	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+ACN+H"	42.033826
"1206020"	74.559701	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+ACN+2H"	43.041102
"202171"	257.12776	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+2Na-H"	44.97116
"636264"	363.20606	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+2Na-H"	44.97116
"1146218"	151.04946	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2Na-H"	44.97116
"188252"	129.067518	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+2Na"	45.978436
"628300"	182.106668	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+2Na"	45.978436
"1129418"	76.028368	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2Na"	45.978436
"1412576"	51.0213373333333	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H+2Na"	46.985712
"1444700"	153.091046	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H+HCOOH"	47.012746
"235124"	134.10054	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+3H2O+2H"	56.04448
"1521728"	167.14309	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+IsoProp+H"	61.06479
"422506"	137.054488	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+Na+K"	61.952376
"780221"	190.093638	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+Na+K"	61.952376
"1678743"	84.015338	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Na+K"	61.952376
"260890"	276.172368	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+ACN+Na"	64.015768
"1232505"	170.094068	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+ACN+Na"	64.015768
"1719204"	170.117593	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+NH4+HCOOH"	64.039293
"1183464"	58.3486513333333	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+3Na"	68.967654
"1655544"	175.072988	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Na+HCOOH"	68.994688
"161675"	289.07564	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+2K-H"	76.91904
"599775"	395.15394	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+2K-H"	76.91904
"1086842"	182.99734	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2K-H"	76.91904
"144386"	145.041458	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"2M+2K"	77.926316
"589417"	198.080608	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"3M+2K"	77.926316
"1083290"	92.002308	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2K"	77.926316
"1114922"	185.011892	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2K+H"	78.933592
"1351028"	185.099507	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+DMSO+H"	79.021207
"1021054"	189.138676	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2ACN+H"	83.060376
"1534553"	190.132308	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+IsoProp+Na+H"	84.054008
"1004282"	95.072976	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+2ACN+2H"	84.067652
"1602190"	191.046928	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+K+HCOOH"	84.968628
"1424441"	221.078438	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+H+CF3COOH"	115.000138
"1155823"	115.586251	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+3ACN+2H"	125.094202
"1703189"	238.104985	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+NH4+CF3COOH"	132.026685
"1643214"	243.06038	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+Na+CF3COOH"	136.98208
"1583238"	259.03432	"C07208"	"m-Xylene;13-Dimethylbenzene;13-Xylene"	"C8H10"	"106.0783"	"M+K+CF3COOH"	152.95602
"809234"	120.0575	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M"	0
"986046"	101.03911	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"74289"	79.0310573333333	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"513848"	119.050224	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"893473"	39.0118906666667	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"5852"	119.050224	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"450881"	179.078974	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"831968"	59.021474	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"94148"	239.107724	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"527144"	359.165224	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"899843"	119.050224	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"51664"	256.134271	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"489037"	376.191771	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"867936"	136.076771	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"43498"	261.089666	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"485249"	381.147166	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"856486"	141.032166	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1628212"	141.032166	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"103647"	137.038563	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"538468"	197.067313	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"937815"	77.009813	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"278562"	275.084402	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"673170"	395.141902	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1286302"	155.026902	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"28496"	277.063606	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"470240"	397.121106	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"846708"	157.006106	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1570436"	157.006106	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"957226"	165.055694	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"373979"	285.113201	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"357863"	299.128851	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1504509"	179.071351	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"970593"	187.037651	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"113302"	155.026902	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"563436"	215.055652	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1033694"	94.998152	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1255458"	198.976385	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1318637"	201.032372	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1334920"	223.014329	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"922087"	233.043086	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1300982"	269.019764	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1374773"	85.044824	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1391178"	103.0548	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"298162"	241.122276	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"689849"	361.179776	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1365470"	121.064776	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H"	1.007276
"136908"	121.064776	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"573196"	181.093526	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1048191"	61.036026	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"216455"	81.0456093333333	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"656012"	121.064776	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1170861"	41.0264426666667	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"433040"	258.148823	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"789299"	378.206323	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1685994"	138.091323	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"332450"	129.5780495	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"723773"	189.6067995	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1484885"	69.5492995	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"401378"	263.104218	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"762373"	383.161718	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1608282"	143.046718	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"325972"	132.055747	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"708566"	192.084497	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1463113"	72.026997	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1054536"	48.3537566666667	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1260590"	153.090986	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"381350"	279.078158	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"743441"	399.135658	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1546586"	159.020658	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K"	38.963158
"301574"	140.042717	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"700555"	200.071467	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1455469"	80.013967	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"246987"	282.148826	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1218966"	162.091326	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1200663"	81.549301	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"201188"	285.08616	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"639654"	405.14366	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1144263"	165.02866	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"187431"	143.046718	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"627110"	203.075468	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1128433"	83.017968	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1411957"	55.6810706666667	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1445050"	167.070246	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"233411"	148.07974	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1522929"	181.12229	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"423468"	151.033688	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"784345"	211.062438	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1679217"	91.004938	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"263188"	304.130768	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1234803"	184.073268	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1717855"	184.096793	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1185762"	63.0083846666667	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1653469"	189.052188	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"162514"	317.03404	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"602076"	437.09154	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1088044"	196.97654	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"145591"	159.020658	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"590620"	219.049408	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1080601"	98.991908	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1115522"	198.991092	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1351262"	199.078707	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1021266"	203.117876	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1536851"	204.111508	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"1004271"	102.062576	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1596704"	205.026128	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1423458"	235.057638	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1155933"	122.575851	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1704393"	252.084185	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1643324"	257.03958	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1583348"	273.01352	"C07209"	"3-Methylbenzaldehyde;m-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"807156"	267.0968	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M"	0
"980689"	248.07841	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-H2O-H"	-19.01839
"77561"	177.057257333333	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M-3H"	-3.021828
"516876"	266.089524	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M-3H"	-3.021828
"891760"	88.0249906666667	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-3H"	-3.021828
"12523"	266.089524	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M-2H"	-2.014552
"454276"	399.637924	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M-2H"	-2.014552
"832079"	132.541124	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-2H"	-2.014552
"93652"	533.186324	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M-H"	-1.007276
"527254"	800.283124	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M-H"	-1.007276
"901776"	266.089524	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-H"	-1.007276
"50682"	550.212871	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M-2H+NH4"	16.019271
"490971"	817.309671	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M-2H+NH4"	16.019271
"866950"	283.116071	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-2H+NH4"	16.019271
"44335"	555.168266	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M-2H+Na"	20.974666
"485843"	822.265066	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M-2H+Na"	20.974666
"857689"	288.071466	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-2H+Na"	20.974666
"1632329"	288.071466	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Na-2H"	20.974666
"105943"	284.077863	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M-H+Cl"	33.962126
"545504"	417.626263	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M-H+Cl"	33.962126
"936832"	150.529463	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-H+Cl"	33.962126
"278669"	569.163002	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+Cl"	34.969402
"669995"	836.259802	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+Cl"	34.969402
"1286412"	302.066202	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Cl"	34.969402
"28239"	571.142206	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M-2H+K"	36.948606
"466702"	838.239006	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M-2H+K"	36.948606
"847421"	304.045406	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-2H+K"	36.948606
"1570427"	304.045406	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+K-2H"	36.948606
"955513"	312.094994	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-H+HCOOH"	44.998194
"372998"	579.191801	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+HCOOH-H"	44.998201
"355787"	593.207451	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+Hac-H"	59.013851
"1503162"	326.110651	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Hac-H"	59.013851
"966693"	334.076951	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-H+NaCOOH"	66.980151
"124843"	302.066202	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+2Cl"	69.938804
"565329"	435.614602	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+2Cl"	69.938804
"1036603"	168.517802	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2Cl"	69.938804
"1256422"	346.015685	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Br"	78.918885
"1319233"	348.071672	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Cl+HCOOH"	80.974872
"1335394"	370.053629	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Cl+NaCOOH"	102.956829
"922197"	380.082386	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M-H+CF3COOH"	112.985586
"1301092"	416.059064	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Cl+CF3COOH"	148.962264
"1374880"	232.084124	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H-2H2O"	-35.012676
"1395298"	250.0941	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H-H2O"	-17.0027
"293161"	535.200876	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+H"	1.007276
"689230"	802.297676	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+H"	1.007276
"1364850"	268.104076	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H"	1.007276
"134831"	268.104076	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+2H"	2.014552
"574763"	401.652476	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+2H"	2.014552
"1047207"	134.555676	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2H"	2.014552
"217658"	179.071809333333	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+3H"	3.021828
"657215"	268.104076	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+3H"	3.021828
"1173157"	90.0395426666667	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+3H"	3.021828
"437158"	552.227423	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+NH4"	18.033823
"791960"	819.324223	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+NH4"	18.033823
"1690476"	285.130623	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+NH4"	18.033823
"331103"	276.6173495	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+H+NH4"	19.041099
"726803"	410.1657495	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+H+NH4"	19.041099
"1482806"	143.0689495	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H+NH4"	19.041099
"400392"	557.182818	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+Na"	22.989218
"759200"	824.279618	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+Na"	22.989218
"1609487"	290.086018	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Na"	22.989218
"323895"	279.095047	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+H+Na"	23.996494
"717424"	412.643447	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+H+Na"	23.996494
"1466870"	145.546647	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H+Na"	23.996494
"1057929"	97.3668566666666	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2H+Na"	25.00377
"1260700"	300.130286	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+CH3OH+H"	33.033486
"383648"	573.156758	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+K"	38.963158
"747924"	840.253558	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+K"	38.963158
"1551069"	306.059958	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+K"	38.963158
"307151"	287.082017	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+H+K"	39.970434
"701759"	420.630417	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+H+K"	39.970434
"1454486"	153.533617	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H+K"	39.970434
"246733"	576.227426	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+ACN+H"	42.033826
"1220899"	309.130626	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+ACN+H"	42.033826
"1200773"	155.068951	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+ACN+2H"	43.041102
"200934"	579.16476	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+2Na-H"	44.97116
"638671"	846.26156	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+2Na-H"	44.97116
"1143281"	312.06796	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2Na-H"	44.97116
"185111"	290.086018	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+2Na"	45.978436
"624306"	423.634418	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+2Na"	45.978436
"1126722"	156.537618	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2Na"	45.978436
"1412068"	104.694170666667	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H+2Na"	46.985712
"1445161"	314.109546	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H+HCOOH"	47.012746
"234613"	295.11904	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+3H2O+2H"	56.04448
"1522675"	328.16159	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+IsoProp+H"	61.06479
"422726"	298.072988	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+Na+K"	61.952376
"783724"	431.621388	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+Na+K"	61.952376
"1678961"	164.524588	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Na+K"	61.952376
"264755"	598.209368	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+ACN+Na"	64.015768
"1237099"	331.112568	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+ACN+Na"	64.015768
"1719424"	331.136093	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+NH4+HCOOH"	64.039293
"1184778"	112.021484666667	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+3Na"	68.967654
"1657954"	336.091488	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Na+HCOOH"	68.994688
"162626"	611.11264	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+2K-H"	76.91904
"600364"	878.20944	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+2K-H"	76.91904
"1087060"	344.01584	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2K-H"	76.91904
"147886"	306.059958	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"2M+2K"	77.926316
"590730"	439.608358	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"3M+2K"	77.926316
"1084048"	172.511558	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2K"	77.926316
"1115594"	346.030392	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2K+H"	78.933592
"1349946"	346.118007	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+DMSO+H"	79.021207
"1020418"	350.157176	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2ACN+H"	83.060376
"1538907"	351.150808	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+IsoProp+Na+H"	84.054008
"1004993"	175.582226	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+2ACN+2H"	84.067652
"1596814"	352.065428	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+K+HCOOH"	84.968628
"1424661"	382.096938	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+H+CF3COOH"	115.000138
"1156043"	196.095501	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+3ACN+2H"	125.094202
"1704504"	399.123485	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+NH4+CF3COOH"	132.026685
"1645621"	404.07888	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+Na+CF3COOH"	136.98208
"1583458"	420.05282	"C07210"	"Zidovudine;Azidothymidine;3-Azido-3-deoxythymidine;AZT"	"C10H13N5O4"	"267.0968"	"M+K+CF3COOH"	152.95602
"812735"	136.0524	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M"	0
"984080"	117.03401	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"66855"	89.694324	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"512977"	135.045124	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"891872"	44.343524	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"10447"	135.045124	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"453290"	203.071324	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"830000"	67.018924	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"91573"	271.097524	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"526273"	407.149924	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"900064"	135.045124	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"50791"	288.124071	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"488772"	424.176471	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"869252"	152.071671	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"44690"	293.079466	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"484375"	429.131866	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"859991"	157.027066	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1628431"	157.027066	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"107145"	153.033463	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"544521"	221.059663	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"939130"	85.007263	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"277686"	307.074202	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"673264"	443.126602	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1286157"	171.021802	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"28349"	309.053406	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"469002"	445.105806	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"845708"	173.001006	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1567012"	173.001006	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"952706"	181.050594	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"373839"	317.103001	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"354805"	331.118651	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1502546"	195.066251	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"969355"	203.032551	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"120816"	171.021802	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"560744"	239.048002	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1033552"	102.995602	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1254952"	214.971285	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1318859"	217.027272	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1333074"	239.009229	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"922309"	249.037986	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1295738"	285.014664	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1374992"	101.039724	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1387023"	119.0497	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"292180"	273.112076	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"687518"	409.164476	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1363138"	137.059676	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"132753"	137.059676	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"574509"	205.085876	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1048047"	69.033476	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"218375"	91.708876	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"656232"	137.059676	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1172907"	46.358076	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"434356"	290.138623	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"792070"	426.191023	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1688401"	154.086223	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"331941"	145.5729495	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"725820"	213.5991495	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1485102"	77.5467495	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"402688"	295.094018	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"762591"	431.146418	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1610691"	159.041618	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"325098"	148.050647	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"720452"	216.076847	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1472448"	80.024447	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1062414"	53.68539	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1262998"	169.085886	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"385946"	311.067958	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"742568"	447.120358	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1547902"	175.015558	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"307263"	156.037617	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"701505"	224.063817	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1457514"	88.011417	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"247938"	314.138626	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1222103"	178.086226	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1206716"	89.546751	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"198128"	317.07596	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"638781"	453.12836	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1141202"	181.02356	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"181211"	159.041618	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"625883"	227.067818	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1125739"	91.015418	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1410726"	61.012704	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1441018"	183.065146	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"231808"	164.07464	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1519872"	197.11719	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"423445"	167.028588	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"782739"	235.054788	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1676885"	99.002388	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"264498"	336.120568	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1236118"	200.068168	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1722815"	200.091693	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1181975"	68.340018	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1652231"	205.047088	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"159093"	349.02384	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"600476"	485.07624	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1087170"	212.97144	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"147268"	175.015558	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"588654"	243.041758	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1083134"	106.989358	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1115128"	214.985992	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1351308"	215.073607	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1014570"	219.112776	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1539262"	220.106408	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"1003514"	110.060026	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1593646"	221.021028	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1425866"	251.052538	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1151781"	130.573301	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1710082"	268.079085	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1645732"	273.03448	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1583569"	289.00842	"C07211"	"m-Methylbenzoate;m-Toluic Acid;beta-Bethylbenzoic acid;m-Toluylic acid"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"810654"	106.0783	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M"	0
"983097"	87.05991	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-H2O-H"	-19.01839
"66965"	69.7115906666667	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M-3H"	-3.021828
"516367"	105.071024	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M-3H"	-3.021828
"895141"	34.3521573333333	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-3H"	-3.021828
"14930"	105.071024	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H"	-2.014552
"455578"	158.110174	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H"	-2.014552
"832548"	52.031874	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-2H"	-2.014552
"93019"	211.149324	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M-H"	-1.007276
"532944"	317.227624	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M-H"	-1.007276
"901996"	105.071024	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-H"	-1.007276
"51997"	228.175871	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H+NH4"	16.019271
"492649"	334.254171	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H+NH4"	16.019271
"870090"	122.097571	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-2H+NH4"	16.019271
"38359"	233.131266	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H+Na"	20.974666
"485902"	339.209566	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H+Na"	20.974666
"862289"	127.052966	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-2H+Na"	20.974666
"1631821"	127.052966	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Na-2H"	20.974666
"109323"	123.059363	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M-H+Cl"	33.962126
"548884"	176.098513	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M-H+Cl"	33.962126
"940944"	70.020213	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-H+Cl"	33.962126
"279621"	247.126002	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+Cl"	34.969402
"674956"	353.204302	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+Cl"	34.969402
"1286875"	141.047702	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl"	34.969402
"28458"	249.105206	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M-2H+K"	36.948606
"469478"	355.183506	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M-2H+K"	36.948606
"846547"	143.026906	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-2H+K"	36.948606
"1567123"	143.026906	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+K-2H"	36.948606
"951723"	151.076494	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-H+HCOOH"	44.998194
"373221"	257.154801	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+HCOOH-H"	44.998201
"356008"	271.170451	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+Hac-H"	59.013851
"1502656"	165.092151	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Hac-H"	59.013851
"969100"	173.058451	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-H+NaCOOH"	66.980151
"122748"	141.047702	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+2Cl"	69.938804
"561947"	194.086852	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+2Cl"	69.938804
"1032933"	88.008552	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2Cl"	69.938804
"1255062"	184.997185	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Br"	78.918885
"1319538"	187.053172	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl+HCOOH"	80.974872
"1335009"	209.035129	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl+NaCOOH"	102.956829
"922055"	219.063886	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M-H+CF3COOH"	112.985586
"1296941"	255.040564	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Cl+CF3COOH"	148.962264
"1372913"	71.065624	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H-2H2O"	-35.012676
"1388227"	89.0756	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H-H2O"	-17.0027
"292290"	213.163876	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+H"	1.007276
"689087"	319.242176	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+H"	1.007276
"1364707"	107.085576	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H"	1.007276
"136143"	107.085576	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+2H"	2.014552
"576439"	160.124726	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+2H"	2.014552
"1043413"	54.046426	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2H"	2.014552
"214594"	71.7261426666667	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+3H"	3.021828
"653062"	107.085576	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+3H"	3.021828
"1176296"	36.3667093333333	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+3H"	3.021828
"434468"	230.190423	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+NH4"	18.033823
"794367"	336.268723	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+NH4"	18.033823
"1692885"	124.112123	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+NH4"	18.033823
"332416"	115.5988495	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+H+NH4"	19.041099
"728117"	168.6379995	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+H+NH4"	19.041099
"1485213"	62.5596995	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H+NH4"	19.041099
"400613"	235.145818	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+Na"	22.989218
"767076"	341.224118	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+Na"	22.989218
"1612987"	129.067518	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Na"	22.989218
"325209"	118.076547	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+H+Na"	23.996494
"719832"	171.115697	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+H+Na"	23.996494
"1471466"	65.037397	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H+Na"	23.996494
"1059243"	43.6940233333333	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2H+Na"	25.00377
"1259827"	139.111786	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+CH3OH+H"	33.033486
"387150"	251.119758	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+K"	38.963158
"745958"	357.198058	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+K"	38.963158
"1549104"	145.041458	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+K"	38.963158
"309558"	126.063517	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+H+K"	39.970434
"701615"	179.102667	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+H+K"	39.970434
"1456531"	73.024367	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H+K"	39.970434
"247319"	254.190426	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+ACN+H"	42.033826
"1221850"	148.112126	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+ACN+H"	42.033826
"1206463"	74.559701	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+ACN+2H"	43.041102
"203710"	257.12776	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+2Na-H"	44.97116
"643145"	363.20606	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+2Na-H"	44.97116
"1138032"	151.04946	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2Na-H"	44.97116
"181321"	129.067518	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+2Na"	45.978436
"623076"	182.106668	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+2Na"	45.978436
"1128037"	76.028368	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2Na"	45.978436
"1408647"	51.0213373333333	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H+2Na"	46.985712
"1442587"	153.091046	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H+HCOOH"	47.012746
"233374"	134.10054	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+3H2O+2H"	56.04448
"1521803"	167.14309	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+IsoProp+H"	61.06479
"420396"	137.054488	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+Na+K"	61.952376
"780298"	190.093638	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+Na+K"	61.952376
"1674807"	84.015338	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Na+K"	61.952376
"256957"	276.172368	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+ACN+Na"	64.015768
"1231855"	170.094068	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+ACN+Na"	64.015768
"1719645"	170.117593	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+NH4+HCOOH"	64.039293
"1181718"	58.3486513333333	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+3Na"	68.967654
"1651244"	175.072988	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Na+HCOOH"	68.994688
"159927"	289.07564	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+2K-H"	76.91904
"600216"	395.15394	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+2K-H"	76.91904
"1086916"	182.99734	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2K-H"	76.91904
"148110"	145.041458	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"2M+2K"	77.926316
"593139"	198.080608	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"3M+2K"	77.926316
"1078745"	92.002308	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2K"	77.926316
"1110860"	185.011892	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2K+H"	78.933592
"1350943"	185.099507	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+DMSO+H"	79.021207
"1016868"	189.138676	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2ACN+H"	83.060376
"1537179"	190.132308	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+IsoProp+Na+H"	84.054008
"1002167"	95.072976	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+2ACN+2H"	84.067652
"1593756"	191.046928	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+K+HCOOH"	84.968628
"1424883"	221.078438	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+H+CF3COOH"	115.000138
"1152984"	115.586251	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+3ACN+2H"	125.094202
"1705817"	238.104985	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+NH4+CF3COOH"	132.026685
"1645842"	243.06038	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+Na+CF3COOH"	136.98208
"1583679"	259.03432	"C07212"	"o-Xylene;o-Dimethylbenzene;o-Methyltoluene"	"C8H10"	"106.0783"	"M+K+CF3COOH"	152.95602
"811860"	122.0732	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M"	0
"979927"	103.05481	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"64888"	80.3748573333333	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"513197"	121.065924	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"889906"	39.6837906666667	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"10667"	121.065924	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"454603"	182.102524	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"831313"	60.029324	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"92398"	243.139124	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"529774"	365.212324	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"899920"	121.065924	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"51014"	260.165671	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"488383"	382.238871	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"869472"	138.092471	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"37374"	265.121066	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"475111"	387.194266	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"863981"	143.047866	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1633836"	143.047866	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"109188"	139.054263	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"549441"	200.090863	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"941177"	78.017663	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"281797"	279.115802	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"673606"	401.189002	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1286741"	157.042602	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"29663"	281.095006	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"470194"	403.168206	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"845929"	159.021806	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1566141"	159.021806	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"955115"	167.071394	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"373331"	289.144601	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"355025"	303.160251	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1503859"	181.087051	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"970303"	189.053351	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"123223"	157.042602	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"562057"	218.079202	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1033043"	96.006002	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1256144"	200.992085	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1319647"	203.048072	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1333662"	225.030029	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"923258"	235.058786	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1295958"	271.035464	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1373023"	87.060524	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1388337"	105.0705	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"292400"	245.153676	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"687739"	367.226876	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1363356"	123.080476	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"134066"	123.080476	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"572536"	184.117076	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1043524"	62.043876	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"210330"	82.3894093333333	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"652078"	123.080476	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1174948"	41.6983426666667	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"437491"	262.180223	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"793384"	384.253423	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1690807"	140.107023	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"334713"	131.5937495	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"726040"	192.6303495	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1484229"	70.5571495	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"400723"	267.135618	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"762813"	389.208818	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1610911"	145.062418	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"323132"	134.071447	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"715568"	195.108047	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1468295"	73.034847	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1059352"	49.0256566666667	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1259937"	155.106686	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"383980"	283.109558	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"744973"	405.182758	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1545934"	161.036358	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"303108"	142.058417	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"698811"	203.095017	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1454819"	81.021817	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"246699"	286.180226	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1222324"	164.107026	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1205115"	82.557151	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"197254"	289.11756	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"640824"	411.19076	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1141424"	167.04436	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"184713"	145.062418	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"626100"	206.099018	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1127782"	84.025818	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1411673"	56.3529706666667	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1441966"	169.085946	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"233120"	150.09544	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1520089"	183.13799	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"417590"	153.049388	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"776396"	214.085988	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1669450"	92.012788	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"257065"	308.162168	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1228684"	186.088968	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1719756"	186.112493	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1179640"	63.6802846666667	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1650011"	191.067888	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"158944"	321.06544	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"599234"	443.13864	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1084714"	198.99224	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"143842"	161.036358	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"589968"	222.072958	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1075573"	99.999758	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1107689"	201.006792	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1348448"	201.094407	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1015885"	205.133576	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1534007"	206.127208	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"999361"	103.070426	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1593866"	207.041828	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1422806"	237.073338	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1148720"	123.583701	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1702647"	254.099885	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1645952"	259.05528	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1583789"	275.02922	"C07213"	"2-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"810874"	120.0575	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M"	0
"989399"	101.03911	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"72653"	79.0310573333333	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"504559"	119.050224	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"890016"	39.0118906666667	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"7496"	119.050224	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"451431"	179.078974	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"830327"	59.021474	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"92146"	239.107724	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"532071"	359.165224	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"898936"	119.050224	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"51123"	256.134271	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"488859"	376.191771	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"869582"	136.076771	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"36755"	261.089666	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"475949"	381.147166	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"863970"	141.032166	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1629855"	141.032166	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"108570"	137.038563	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"549227"	197.067313	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"940559"	77.009813	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"280571"	275.084402	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"673721"	395.141902	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1286854"	155.026902	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"30141"	277.063606	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"468239"	397.121106	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"842760"	157.006106	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1566252"	157.006106	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"954133"	165.055694	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"370163"	285.113201	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"355135"	299.128851	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1502876"	179.071351	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"970413"	187.037651	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"121510"	155.026902	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"559981"	215.055652	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1033153"	94.998152	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1253825"	198.976385	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1318460"	201.032372	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1332677"	223.014329	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"922639"	233.043086	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1297161"	269.019764	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1375320"	85.044824	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1391727"	103.0548	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"293603"	241.122276	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"688216"	361.179776	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1364559"	121.064776	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H"	1.007276
"134176"	121.064776	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"573740"	181.093526	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1043634"	61.036026	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"210440"	81.0456093333333	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"652188"	121.064776	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1174329"	41.0264426666667	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"434685"	258.148823	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"795682"	378.206323	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1690917"	138.091323	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"334824"	129.5780495	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"730525"	189.6067995	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1487626"	69.5492995	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"399745"	263.104218	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"764017"	383.161718	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1608836"	143.046718	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"323243"	132.055747	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"717865"	192.084497	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1470592"	72.026997	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1060555"	48.3537566666667	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1263327"	153.090986	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"384090"	279.078158	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"747271"	399.135658	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1543857"	159.020658	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K"	38.963158
"306498"	140.042717	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"697828"	200.071467	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1450553"	80.013967	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"245716"	282.148826	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1221705"	162.091326	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1205589"	81.549301	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"199550"	285.08616	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"641297"	405.14366	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1141534"	165.02866	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"184459"	143.046718	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"622199"	203.075468	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1128622"	83.017968	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1408505"	55.6810706666667	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1442442"	167.070246	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"232138"	148.07974	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1519835"	181.12229	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"416607"	151.033688	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"771402"	211.062438	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1669560"	91.004938	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"258268"	304.130768	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1230981"	184.073268	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1716219"	184.096793	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1179142"	63.0083846666667	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1651829"	189.052188	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"160513"	317.03404	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"600074"	437.09154	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1086773"	196.97654	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"143226"	159.020658	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"585701"	219.049408	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1072037"	98.991908	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1106704"	198.991092	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1348558"	199.078707	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1017088"	203.117876	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1534118"	204.111508	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"998380"	102.062576	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1591789"	205.026128	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1422916"	235.057638	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1155393"	122.575851	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1708225"	252.084185	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1648249"	257.03958	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1583899"	273.01352	"C07214"	"2-Methylbenzaldehyde;o-Toluic aldehyde;2-Formyltoluene;o-Tolualdehyde"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"810984"	136.0524	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M"	0
"985614"	117.03401	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"71670"	89.694324	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"504669"	135.045124	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"890126"	44.343524	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"5419"	135.045124	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"451541"	203.071324	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"830437"	67.018924	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"92136"	271.097524	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"531088"	407.149924	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"899410"	135.045124	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"49774"	288.124071	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"487994"	424.176471	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"867504"	152.071671	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"33215"	293.079466	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"472409"	429.131866	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"856049"	157.027066	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1633244"	157.027066	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"109044"	153.033463	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"548240"	221.059663	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"940304"	85.007263	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"281412"	307.074202	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"674560"	443.126602	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1288058"	171.021802	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"29882"	309.053406	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"468349"	445.105806	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"843961"	173.001006	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1568549"	173.001006	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"953150"	181.050594	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"371365"	317.103001	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"355245"	331.118651	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1502985"	195.066251	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"970523"	203.032551	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"122349"	171.021802	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"560091"	239.048002	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1033262"	102.995602	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1253934"	214.971285	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1318814"	217.027272	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1333515"	239.009229	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"922749"	249.037986	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1296177"	285.014664	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1372150"	101.039724	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1391837"	119.0497	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"293713"	273.112076	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"688324"	409.164476	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1362483"	137.059676	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"134286"	137.059676	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"573850"	205.085876	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1044837"	69.033476	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"210550"	91.708876	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"651205"	137.059676	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1172617"	46.358076	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"432608"	290.138623	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"791418"	426.191023	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1688839"	154.086223	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"333841"	145.5729495	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"726261"	213.5991495	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1481175"	77.5467495	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"395842"	295.094018	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"757568"	431.146418	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1606759"	159.041618	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"320073"	148.050647	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"717611"	216.076847	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1472525"	80.024447	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1060667"	53.68539	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1266717"	169.085886	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"386021"	311.067958	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"748839"	447.120358	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1549069"	175.015558	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"306244"	156.037617	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"699759"	224.063817	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1447747"	88.011417	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"244732"	314.138626	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1219628"	178.086226	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1201325"	89.546751	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"196380"	317.07596	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"640313"	453.12836	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1140547"	181.02356	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"184205"	159.041618	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"624497"	227.067818	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1128004"	91.015418	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1411165"	61.012704	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1443281"	183.065146	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"228969"	164.07464	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1519216"	197.11719	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"418905"	167.028588	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"776620"	235.054788	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1672952"	99.002388	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"261658"	336.120568	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1232183"	200.068168	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1721070"	200.091693	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1183142"	68.340018	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1651578"	205.047088	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"160625"	349.02384	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"600184"	485.07624	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1086155"	212.97144	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"146253"	175.015558	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"585812"	243.041758	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1074699"	106.989358	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1109001"	214.985992	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1347576"	215.073607	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1015011"	219.112776	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1534228"	220.106408	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"999583"	110.060026	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1592993"	221.021028	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1425214"	251.052538	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1157691"	130.573301	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1710522"	268.079085	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1649088"	273.03448	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1584009"	289.00842	"C07215"	"o-Toluate;o-Methylbenzoate;o-Toluic Acid;2-Methylbenzoic acid"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"811094"	122.0732	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M"	0
"984630"	103.05481	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"71780"	80.3748573333333	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"504779"	121.065924	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"888049"	39.6837906666667	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"3342"	121.065924	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"446183"	182.102524	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"825080"	60.029324	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"92734"	243.139124	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"531199"	365.212324	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"904626"	121.065924	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"51346"	260.165671	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"488470"	382.238871	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"865788"	138.092471	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"33325"	265.121066	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"472762"	387.194266	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"852879"	143.047866	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1631896"	143.047866	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"108303"	139.054263	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"548839"	200.090863	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"939322"	78.017663	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"278973"	279.115802	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"672849"	401.189002	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1286346"	157.042602	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"30357"	281.095006	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"469915"	403.168206	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"845164"	159.021806	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1565377"	159.021806	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"952167"	167.071394	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"368196"	289.144601	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"353169"	303.160251	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1503096"	181.087051	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"971363"	189.053351	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"118451"	157.042602	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"559107"	218.079202	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1033373"	96.006002	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1254045"	200.992085	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1318680"	203.048072	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1334356"	225.030029	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"922859"	235.058786	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1294101"	271.035464	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1371167"	87.060524	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1391947"	105.0705	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"292730"	245.153676	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"689892"	367.226876	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1361500"	123.080476	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"135488"	123.080476	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"574689"	184.117076	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1044947"	62.043876	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"211753"	82.3894093333333	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"651315"	123.080476	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1171635"	41.6983426666667	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"432718"	262.180223	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"792621"	384.253423	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1687856"	140.107023	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"331764"	131.5937495	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"725641"	192.6303495	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1480192"	70.5571495	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"394859"	267.135618	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"756585"	389.208818	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1609053"	145.062418	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"320185"	134.071447	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"714805"	195.108047	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1468625"	73.034847	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1061870"	49.0256566666667	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1265733"	155.106686	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"386131"	283.109558	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"748220"	405.182758	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1542982"	161.036358	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"304532"	142.058417	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"698045"	203.095017	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1452960"	81.021817	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"242655"	286.180226	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1217551"	164.107026	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1203619"	82.557151	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"199768"	289.11756	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"636049"	411.19076	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1136282"	167.04436	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"183949"	145.062418	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"624973"	206.099018	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1128113"	84.025818	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1409454"	56.3529706666667	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1441205"	169.085946	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"231629"	150.09544	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1518231"	183.13799	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"416827"	153.049388	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"780011"	214.085988	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1673062"	92.012788	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"259582"	308.162168	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1234478"	186.088968	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1721179"	186.112493	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1183252"	63.6802846666667	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1654241"	191.067888	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"160008"	321.06544	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"600660"	443.13864	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1090639"	198.99224	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"145269"	161.036358	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"584829"	222.072958	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1075901"	99.999758	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1106924"	201.006792	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1345498"	201.094407	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1018401"	205.133576	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1534338"	206.127208	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"998600"	103.070426	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1594196"	207.041828	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1425324"	237.073338	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1157801"	123.583701	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1709539"	254.099885	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1648834"	259.05528	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1584119"	275.02922	"C07216"	"3-Methylbenzyl alcohol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"811204"	287.1634	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M"	0
"988751"	268.14501	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-H2O-H"	-19.01839
"72983"	190.434990666667	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M-3H"	-3.021828
"504886"	286.156124	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M-3H"	-3.021828
"887065"	94.7138573333333	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-3H"	-3.021828
"7827"	286.156124	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M-2H"	-2.014552
"447387"	429.737824	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M-2H"	-2.014552
"827377"	142.574424	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-2H"	-2.014552
"94144"	573.319524	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M-H"	-1.007276
"533132"	860.482924	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M-H"	-1.007276
"905829"	286.156124	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-H"	-1.007276
"52549"	590.346071	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M-2H+NH4"	16.019271
"490649"	877.509471	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M-2H+NH4"	16.019271
"866627"	303.182671	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-2H+NH4"	16.019271
"36721"	595.301466	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M-2H+Na"	20.974666
"473237"	882.464866	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M-2H+Na"	20.974666
"855176"	308.138066	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-2H+Na"	20.974666
"1633106"	308.138066	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Na-2H"	20.974666
"109673"	304.144463	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M-H+Cl"	33.962126
"549191"	447.726163	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M-H+Cl"	33.962126
"940405"	160.562763	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-H+Cl"	33.962126
"280418"	609.296202	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+Cl"	34.969402
"672960"	896.459602	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+Cl"	34.969402
"1286816"	322.132802	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Cl"	34.969402
"30349"	611.275406	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M-2H+K"	36.948606
"471120"	898.438806	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M-2H+K"	36.948606
"846369"	324.112006	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-2H+K"	36.948606
"1568399"	324.112006	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+K-2H"	36.948606
"954459"	332.161594	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-H+HCOOH"	44.998194
"372679"	619.325001	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+HCOOH-H"	44.998201
"356559"	633.340651	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+Hac-H"	59.013851
"1504300"	346.177251	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Hac-H"	59.013851
"971111"	354.143551	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-H+NaCOOH"	66.980151
"120748"	322.132802	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+2Cl"	69.938804
"562496"	465.714502	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+2Cl"	69.938804
"1035306"	178.551102	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2Cl"	69.938804
"1251970"	366.082285	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Br"	78.918885
"1318789"	368.138272	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Cl+HCOOH"	80.974872
"1332644"	390.120229	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Cl+NaCOOH"	102.956829
"926249"	400.148986	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M-H+CF3COOH"	112.985586
"1293117"	436.125664	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Cl+CF3COOH"	148.962264
"1369091"	252.150724	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H-2H2O"	-35.012676
"1392057"	270.1607	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H-H2O"	-17.0027
"289561"	575.334076	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+H"	1.007276
"689273"	862.497476	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+H"	1.007276
"1360517"	288.170676	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H"	1.007276
"136692"	288.170676	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+2H"	2.014552
"573706"	431.752376	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+2H"	2.014552
"1045422"	144.588976	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2H"	2.014552
"210770"	192.449542666667	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+3H"	3.021828
"652518"	288.170676	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+3H"	3.021828
"1175389"	96.7284093333333	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+3H"	3.021828
"436108"	592.360623	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+NH4"	18.033823
"799292"	879.524023	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+NH4"	18.033823
"1687969"	305.197223	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+NH4"	18.033823
"336248"	296.6839495	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+H+NH4"	19.041099
"728669"	440.2656495	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+H+NH4"	19.041099
"1484675"	153.1022495	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H+NH4"	19.041099
"398980"	597.316018	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+Na"	22.989218
"759975"	884.479418	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+Na"	22.989218
"1613539"	310.152618	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Na"	22.989218
"322484"	299.161647	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+H+Na"	23.996494
"719290"	442.743347	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+H+Na"	23.996494
"1468736"	155.579947	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H+Na"	23.996494
"1061980"	104.055723333333	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2H+Na"	25.00377
"1269490"	320.196886	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+CH3OH+H"	33.033486
"388065"	613.289958	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+K"	38.963158
"748693"	900.453358	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+K"	38.963158
"1550746"	326.126558	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+K"	38.963158
"309015"	307.148617	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+H+K"	39.970434
"700344"	450.730317	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+H+K"	39.970434
"1451977"	163.566917	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H+K"	39.970434
"243858"	616.360626	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+ACN+H"	42.033826
"1217659"	329.197226	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+ACN+H"	42.033826
"1207010"	165.102251	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+ACN+2H"	43.041102
"200972"	619.29796	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+2Na-H"	44.97116
"636159"	906.46136	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+2Na-H"	44.97116
"1137484"	332.13456	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2Na-H"	44.97116
"177497"	310.152618	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+2Na"	45.978436
"621431"	453.734318	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+2Na"	45.978436
"1127856"	166.570918	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2Na"	45.978436
"1411752"	111.383037333333	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H+2Na"	46.985712
"1442409"	334.176146	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H+HCOOH"	47.012746
"232466"	315.18564	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+3H2O+2H"	56.04448
"1521622"	348.22819	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+IsoProp+H"	61.06479
"423135"	318.139588	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+Na+K"	61.952376
"781214"	461.721288	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+Na+K"	61.952376
"1679006"	174.557888	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Na+K"	61.952376
"262976"	638.342568	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+ACN+Na"	64.015768
"1237142"	351.179168	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+ACN+Na"	64.015768
"1725662"	351.202693	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+NH4+HCOOH"	64.039293
"1188830"	118.710351333333	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+3Na"	68.967654
"1656538"	356.158088	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Na+HCOOH"	68.994688
"164492"	651.24584	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+2K-H"	76.91904
"607332"	938.40924	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+2K-H"	76.91904
"1094030"	364.08244	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2K-H"	76.91904
"153033"	326.126558	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"2M+2K"	77.926316
"591499"	469.708258	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"3M+2K"	77.926316
"1076011"	182.544858	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2K"	77.926316
"1110314"	366.096992	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2K+H"	78.933592
"1349617"	366.184607	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+DMSO+H"	79.021207
"1017417"	370.223776	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2ACN+H"	83.060376
"1534447"	371.217408	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+IsoProp+Na+H"	84.054008
"1001990"	185.615526	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+2ACN+2H"	84.067652
"1597589"	372.132028	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+K+HCOOH"	84.968628
"1426527"	402.163538	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+H+CF3COOH"	115.000138
"1161192"	206.128801	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+3ACN+2H"	125.094202
"1711472"	419.190085	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+NH4+CF3COOH"	132.026685
"1649310"	424.14548	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+Na+CF3COOH"	136.98208
"1584229"	440.11942	"C07218"	"Zolmitriptan;311C90"	"C16H21N3O2"	"287.1634"	"M+K+CF3COOH"	152.95602
"816422"	307.1685	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M"	0
"988130"	288.15011	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-H2O-H"	-19.01839
"76376"	203.771724	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M-3H"	-3.021828
"513747"	306.161224	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M-3H"	-3.021828
"886080"	101.382224	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-3H"	-3.021828
"10124"	306.161224	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M-2H"	-2.014552
"448590"	459.745474	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M-2H"	-2.014552
"829673"	152.576974	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-2H"	-2.014552
"92828"	613.329724	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M-H"	-1.007276
"533568"	920.498224	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M-H"	-1.007276
"902659"	306.161224	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-H"	-1.007276
"51929"	630.356271	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M-2H+NH4"	16.019271
"492218"	937.524771	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M-2H+NH4"	16.019271
"868927"	323.187771	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-2H+NH4"	16.019271
"34640"	635.311666	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M-2H+Na"	20.974666
"476021"	942.480166	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M-2H+Na"	20.974666
"853095"	328.143166	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-2H+Na"	20.974666
"1633575"	328.143166	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Na-2H"	20.974666
"109624"	324.149563	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M-H+Cl"	33.962126
"549300"	477.733813	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M-H+Cl"	33.962126
"940638"	170.565313	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-H+Cl"	33.962126
"279560"	649.306402	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+Cl"	34.969402
"675376"	956.474902	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+Cl"	34.969402
"1285466"	342.137902	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Cl"	34.969402
"30096"	651.285606	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M-2H+K"	36.948606
"471265"	958.454106	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M-2H+K"	36.948606
"847816"	344.117106	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-2H+K"	36.948606
"1570941"	344.117106	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+K-2H"	36.948606
"956756"	352.166694	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-H+HCOOH"	44.998194
"372789"	659.335201	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+HCOOH-H"	44.998201
"357763"	673.350851	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+Hac-H"	59.013851
"1504410"	366.182351	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Hac-H"	59.013851
"971949"	374.148651	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-H+NaCOOH"	66.980151
"123044"	342.137902	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+2Cl"	69.938804
"564551"	495.722152	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+2Cl"	69.938804
"1036753"	188.553652	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2Cl"	69.938804
"1256453"	386.087385	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Br"	78.918885
"1319264"	388.143372	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Cl+HCOOH"	80.974872
"1335186"	410.125329	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Cl+NaCOOH"	102.956829
"925995"	420.154086	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M-H+CF3COOH"	112.985586
"1294321"	456.130764	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Cl+CF3COOH"	148.962264
"1370295"	272.155824	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H-2H2O"	-35.012676
"1392167"	290.1658	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H-H2O"	-17.0027
"295136"	615.344276	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+H"	1.007276
"688656"	922.512776	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+H"	1.007276
"1362813"	308.175776	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H"	1.007276
"134617"	308.175776	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+2H"	2.014552
"576004"	461.760026	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+2H"	2.014552
"1044074"	154.591526	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2H"	2.014552
"213067"	205.786276	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+3H"	3.021828
"652629"	308.175776	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+3H"	3.021828
"1174040"	103.396776	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+3H"	3.021828
"436219"	632.370823	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+NH4"	18.033823
"796122"	939.539323	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+NH4"	18.033823
"1688080"	325.202323	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+NH4"	18.033823
"335265"	316.6890495	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+H+NH4"	19.041099
"726593"	470.2732995	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+H+NH4"	19.041099
"1484786"	163.1047995	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H+NH4"	19.041099
"401276"	637.326218	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+Na"	22.989218
"761179"	944.494718	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+Na"	22.989218
"1614742"	330.157718	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Na"	22.989218
"325874"	319.166747	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+H+Na"	23.996494
"716120"	472.750997	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+H+Na"	23.996494
"1468846"	165.582497	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H+Na"	23.996494
"1060997"	110.72409	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2H+Na"	25.00377
"1268142"	340.201986	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+CH3OH+H"	33.033486
"390362"	653.300158	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+K"	38.963158
"745523"	960.468658	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+K"	38.963158
"1552681"	346.131658	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+K"	38.963158
"304752"	327.153717	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+H+K"	39.970434
"702641"	480.737967	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+H+K"	39.970434
"1454274"	173.569467	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H+K"	39.970434
"246155"	656.370826	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+ACN+H"	42.033826
"1217771"	349.202326	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+ACN+H"	42.033826
"1204934"	175.104801	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+ACN+2H"	43.041102
"201083"	659.30816	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+2Na-H"	44.97116
"639549"	966.47666	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+2Na-H"	44.97116
"1134315"	352.13966	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2Na-H"	44.97116
"177607"	330.157718	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+2Na"	45.978436
"621541"	483.741968	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+2Na"	45.978436
"1129421"	176.573468	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2Na"	45.978436
"1409671"	118.051404	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H+2Na"	46.985712
"1442883"	354.181246	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H+HCOOH"	47.012746
"233304"	335.19074	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+3H2O+2H"	56.04448
"1521367"	368.23329	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+IsoProp+H"	61.06479
"421424"	338.144688	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+Na+K"	61.952376
"783146"	491.728938	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+Na+K"	61.952376
"1678021"	184.560438	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Na+K"	61.952376
"263816"	678.352768	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+ACN+Na"	64.015768
"1233607"	371.184268	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+ACN+Na"	64.015768
"1723221"	371.207793	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+NH4+HCOOH"	64.039293
"1185661"	125.378718	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+3Na"	68.967654
"1662114"	376.163188	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Na+HCOOH"	68.994688
"158041"	691.25604	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+2K-H"	76.91904
"601975"	998.42454	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+2K-H"	76.91904
"1091952"	384.08754	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2K-H"	76.91904
"146582"	346.131658	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"2M+2K"	77.926316
"587236"	499.715908	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"3M+2K"	77.926316
"1075028"	192.547408	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2K"	77.926316
"1109330"	386.102092	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2K+H"	78.933592
"1348995"	386.189707	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+DMSO+H"	79.021207
"1013153"	390.228876	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2ACN+H"	83.060376
"1535651"	391.222508	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+IsoProp+Na+H"	84.054008
"998820"	195.618076	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+2ACN+2H"	84.067652
"1594417"	392.137128	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+K+HCOOH"	84.968628
"1423357"	422.168638	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+H+CF3COOH"	115.000138
"1156927"	216.131351	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+3ACN+2H"	125.094202
"1707572"	439.195185	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+NH4+CF3COOH"	132.026685
"1648326"	444.15058	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+Na+CF3COOH"	136.98208
"1584339"	460.12452	"C07219"	"Zolpidem"	"C19H21N3O"	"307.1685"	"M+K+CF3COOH"	152.95602
"811424"	179.131	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M"	0
"986053"	160.11261	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-H2O-H"	-19.01839
"71016"	118.413390666667	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M-3H"	-3.021828
"505473"	178.123724	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M-3H"	-3.021828
"882910"	58.7030573333333	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-3H"	-3.021828
"9140"	178.123724	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M-2H"	-2.014552
"448700"	267.689224	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M-2H"	-2.014552
"826502"	88.558224	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-2H"	-2.014552
"93059"	357.254724	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M-H"	-1.007276
"532622"	536.385724	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M-H"	-1.007276
"900582"	178.123724	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-H"	-1.007276
"54955"	374.281271	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M-2H+NH4"	16.019271
"492328"	553.412271	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M-2H+NH4"	16.019271
"866847"	195.150271	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-2H+NH4"	16.019271
"35115"	379.236666	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M-2H+Na"	20.974666
"475039"	558.367666	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M-2H+Na"	20.974666
"851749"	200.105666	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-2H+Na"	20.974666
"1633894"	200.105666	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Na-2H"	20.974666
"108027"	196.112063	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M-H+Cl"	33.962126
"549288"	285.677563	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M-H+Cl"	33.962126
"942241"	106.546563	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-H+Cl"	33.962126
"281851"	393.231402	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+Cl"	34.969402
"674875"	572.362402	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+Cl"	34.969402
"1284482"	214.100402	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Cl"	34.969402
"31054"	395.210606	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M-2H+K"	36.948606
"468789"	574.341606	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M-2H+K"	36.948606
"844403"	216.079606	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-2H+K"	36.948606
"1566798"	216.079606	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+K-2H"	36.948606
"953221"	224.129194	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-H+HCOOH"	44.998194
"371806"	403.260201	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+HCOOH-H"	44.998201
"353865"	417.275851	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+Hac-H"	59.013851
"1501240"	238.144851	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Hac-H"	59.013851
"967687"	246.111151	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-H+NaCOOH"	66.980151
"117689"	214.100402	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+2Cl"	69.938804
"560530"	303.665902	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+2Cl"	69.938804
"1031516"	124.534902	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2Cl"	69.938804
"1254375"	258.049885	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Br"	78.918885
"1315729"	260.105872	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Cl+HCOOH"	80.974872
"1333957"	282.087829	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Cl+NaCOOH"	102.956829
"922094"	292.116586	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M-H+CF3COOH"	112.985586
"1293338"	328.093264	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Cl+CF3COOH"	148.962264
"1369311"	144.118324	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H-2H2O"	-35.012676
"1392277"	162.1283	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H-H2O"	-17.0027
"295245"	359.269276	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+H"	1.007276
"685481"	538.400276	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+H"	1.007276
"1356360"	180.138276	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H"	1.007276
"133270"	180.138276	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+2H"	2.014552
"573198"	269.703776	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+2H"	2.014552
"1044184"	90.572776	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2H"	2.014552
"210991"	120.427942666667	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+3H"	3.021828
"649459"	180.138276	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+3H"	3.021828
"1174879"	60.7176093333333	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+3H"	3.021828
"438516"	376.295823	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+NH4"	18.033823
"797325"	555.426823	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+NH4"	18.033823
"1694383"	197.164823	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+NH4"	18.033823
"337562"	188.6515495	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+H+NH4"	19.041099
"726703"	278.2170495	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+H+NH4"	19.041099
"1485991"	99.0860495	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H+NH4"	19.041099
"402480"	381.251218	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+Na"	22.989218
"762382"	560.382218	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+Na"	22.989218
"1615581"	202.120218	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Na"	22.989218
"325984"	191.129247	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+H+Na"	23.996494
"710763"	280.694747	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+H+Na"	23.996494
"1466769"	101.563747	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H+Na"	23.996494
"1056735"	68.0449233333333	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2H+Na"	25.00377
"1266064"	212.164486	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+CH3OH+H"	33.033486
"385734"	397.225158	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+K"	38.963158
"745633"	576.356158	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+K"	38.963158
"1552061"	218.094158	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+K"	38.963158
"301582"	199.116217	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+H+K"	39.970434
"698378"	288.681717	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+H+K"	39.970434
"1450009"	109.550717	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H+K"	39.970434
"245172"	400.295826	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+ACN+H"	42.033826
"1218974"	221.164826	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+ACN+H"	42.033826
"1205044"	111.086051	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+ACN+2H"	43.041102
"199007"	403.23316	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+2Na-H"	44.97116
"638565"	582.36416	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+2Na-H"	44.97116
"1134789"	224.10216	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2Na-H"	44.97116
"177717"	202.120218	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+2Na"	45.978436
"621651"	291.685718	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+2Na"	45.978436
"1128437"	112.554718	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2Na"	45.978436
"1409781"	75.3722373333333	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H+2Na"	46.985712
"1443358"	226.143746	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H+HCOOH"	47.012746
"230497"	207.15324	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+3H2O+2H"	56.04448
"1521841"	240.19579	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+IsoProp+H"	61.06479
"420438"	210.107188	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+Na+K"	61.952376
"782527"	299.672688	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+Na+K"	61.952376
"1676672"	120.541688	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Na+K"	61.952376
"262103"	422.277768	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+ACN+Na"	64.015768
"1235903"	243.146768	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+ACN+Na"	64.015768
"1724788"	243.170293	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+NH4+HCOOH"	64.039293
"1191234"	82.6995513333333	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+3Na"	68.967654
"1663317"	248.125688	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Na+HCOOH"	68.994688
"161432"	435.18104	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+2K-H"	76.91904
"605364"	614.31204	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+2K-H"	76.91904
"1092062"	256.05004	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2K-H"	76.91904
"147784"	218.094158	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"2M+2K"	77.926316
"588439"	307.659658	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"3M+2K"	77.926316
"1077325"	128.528658	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2K"	77.926316
"1110534"	258.064592	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2K+H"	78.933592
"1346918"	258.152207	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+DMSO+H"	79.021207
"1014356"	262.191376	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2ACN+H"	83.060376
"1535761"	263.185008	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+IsoProp+Na+H"	84.054008
"1000023"	131.599326	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+2ACN+2H"	84.067652
"1593434"	264.099628	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+K+HCOOH"	84.968628
"1423467"	294.131138	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+H+CF3COOH"	115.000138
"1155944"	152.112601	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+3ACN+2H"	125.094202
"1708775"	311.157685	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+NH4+CF3COOH"	132.026685
"1649489"	316.11308	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+Na+CF3COOH"	136.98208
"1584449"	332.08702	"C07220"	"Mexiletine"	"C11H17NO"	"179.131"	"M+K+CF3COOH"	152.95602
"811534"	539.1145	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M"	0
"987256"	520.09611	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-H2O-H"	-19.01839
"71126"	358.402390666667	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M-3H"	-3.021828
"508499"	538.107224	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M-3H"	-3.021828
"883020"	178.697557333333	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-3H"	-3.021828
"12530"	538.107224	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M-2H"	-2.014552
"448810"	807.664474	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M-2H"	-2.014552
"825519"	268.549974	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-2H"	-2.014552
"89888"	1077.221724	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M-H"	-1.007276
"532856"	1616.336224	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M-H"	-1.007276
"900692"	538.107224	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-H"	-1.007276
"55065"	1094.248271	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M-2H+NH4"	16.019271
"492438"	1633.362771	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M-2H+NH4"	16.019271
"866228"	555.133771	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-2H+NH4"	16.019271
"37049"	1099.203666	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M-2H+Na"	20.974666
"474057"	1638.318166	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M-2H+Na"	20.974666
"851495"	560.089166	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-2H+Na"	20.974666
"1627227"	560.089166	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Na-2H"	20.974666
"101571"	556.095563	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M-H+Cl"	33.962126
"537850"	825.652813	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M-H+Cl"	33.962126
"936833"	286.538313	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-H+Cl"	33.962126
"281232"	1113.198402	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+Cl"	34.969402
"675475"	1652.312902	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+Cl"	34.969402
"1284592"	574.083902	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Cl"	34.969402
"30433"	1115.177606	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M-2H+K"	36.948606
"469992"	1654.292106	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M-2H+K"	36.948606
"845606"	576.063106	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-2H+K"	36.948606
"1567636"	576.063106	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+K-2H"	36.948606
"953695"	584.112694	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-H+HCOOH"	44.998194
"372645"	1123.227201	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+HCOOH-H"	44.998201
"353611"	1137.242851	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+Hac-H"	59.013851
"1501349"	598.128351	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Hac-H"	59.013851
"968887"	606.094651	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-H+NaCOOH"	66.980151
"120714"	574.083902	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+2Cl"	69.938804
"560640"	843.641152	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+2Cl"	69.938804
"1031626"	304.526652	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2Cl"	69.938804
"1255576"	618.033385	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Br"	78.918885
"1318025"	620.089372	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Cl+HCOOH"	80.974872
"1333703"	642.071329	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Cl+NaCOOH"	102.956829
"918924"	652.100086	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M-H+CF3COOH"	112.985586
"1293448"	688.076764	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Cl+CF3COOH"	148.962264
"1369422"	504.101824	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H-2H2O"	-35.012676
"1392387"	522.1118	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H-H2O"	-17.0027
"294262"	1079.236276	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+H"	1.007276
"685591"	1618.350776	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+H"	1.007276
"1356470"	540.121776	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H"	1.007276
"137387"	540.121776	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+2H"	2.014552
"574395"	809.679026	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+2H"	2.014552
"1043200"	270.564526	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2H"	2.014552
"215470"	360.416942666667	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+3H"	3.021828
"652847"	540.121776	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+3H"	3.021828
"1175353"	180.712109333333	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+3H"	3.021828
"438260"	1096.262823	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+NH4"	18.033823
"798164"	1635.377323	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+NH4"	18.033823
"1693399"	557.148323	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+NH4"	18.033823
"338763"	548.6350495	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+H+NH4"	19.041099
"734468"	818.1922995	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+H+NH4"	19.041099
"1488287"	279.0777995	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H+NH4"	19.041099
"402592"	1101.218218	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+Na"	22.989218
"761399"	1640.332718	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+Na"	22.989218
"1614961"	562.103718	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Na"	22.989218
"326822"	551.112747	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+H+Na"	23.996494
"710873"	820.669997	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+H+Na"	23.996494
"1467972"	281.555497	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H+Na"	23.996494
"1056477"	188.039423333333	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2H+Na"	25.00377
"1265082"	572.147986	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+CH3OH+H"	33.033486
"383657"	1117.192158	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+K"	38.963158
"746838"	1656.306658	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+K"	38.963158
"1541235"	578.077658	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+K"	38.963158
"303879"	559.099717	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+H+K"	39.970434
"697394"	828.656967	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+H+K"	39.970434
"1449025"	289.542467	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H+K"	39.970434
"245282"	1120.262826	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+ACN+H"	42.033826
"1217990"	581.148326	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+ACN+H"	42.033826
"1205153"	291.077801	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+ACN+2H"	43.041102
"199116"	1123.20016	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+2Na-H"	44.97116
"638675"	1662.31466	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+2Na-H"	44.97116
"1134534"	584.08566	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2Na-H"	44.97116
"174177"	562.103718	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+2Na"	45.978436
"614104"	831.660968	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+2Na"	45.978436
"1125267"	292.546468	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2Na"	45.978436
"1406609"	195.366737333333	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H+2Na"	46.985712
"1438724"	586.127246	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H+HCOOH"	47.012746
"230607"	567.13674	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+3H2O+2H"	56.04448
"1515389"	600.17929	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+IsoProp+H"	61.06479
"422734"	570.090688	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+Na+K"	61.952376
"782637"	839.647938	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+Na+K"	61.952376
"1676782"	300.533438	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Na+K"	61.952376
"263306"	1142.244768	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+ACN+Na"	64.015768
"1238200"	603.130268	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+ACN+Na"	64.015768
"1725991"	603.153793	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+NH4+HCOOH"	64.039293
"1191344"	202.694051333333	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+3Na"	68.967654
"1663427"	608.109188	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Na+HCOOH"	68.994688
"163728"	1155.14804	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+2K-H"	76.91904
"606567"	1694.26254	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+2K-H"	76.91904
"1093265"	616.03354	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2K-H"	76.91904
"147894"	578.077658	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"2M+2K"	77.926316
"590736"	847.634908	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"3M+2K"	77.926316
"1077435"	308.520408	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2K"	77.926316
"1112831"	618.048092	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2K+H"	78.933592
"1349215"	618.135707	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+DMSO+H"	79.021207
"1015561"	622.174876	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2ACN+H"	83.060376
"1536965"	623.168508	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+IsoProp+Na+H"	84.054008
"999039"	311.591076	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+2ACN+2H"	84.067652
"1594638"	624.083128	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+K+HCOOH"	84.968628
"1423577"	654.114638	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+H+CF3COOH"	115.000138
"1157147"	332.104351	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+3ACN+2H"	125.094202
"1708885"	671.141185	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+NH4+CF3COOH"	132.026685
"1647817"	676.09658	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+Na+CF3COOH"	136.98208
"1584559"	692.07052	"C07221"	"Mezlin;Mezlocillin"	"C21H25N5O8S2"	"539.1145"	"M+K+CF3COOH"	152.95602
"814924"	495.2897	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M"	0
"987731"	476.27131	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-H2O-H"	-19.01839
"74516"	329.185857333333	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M-3H"	-3.021828
"508609"	494.282424	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M-3H"	-3.021828
"883130"	164.089290666667	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-3H"	-3.021828
"4986"	494.282424	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M-2H"	-2.014552
"448920"	741.927274	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M-2H"	-2.014552
"827816"	246.637574	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-2H"	-2.014552
"92674"	989.572124	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M-H"	-1.007276
"532359"	1484.861824	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M-H"	-1.007276
"902989"	494.282424	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-H"	-1.007276
"55175"	1006.598671	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M-2H+NH4"	16.019271
"494735"	1501.888371	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M-2H+NH4"	16.019271
"867068"	511.308971	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-2H+NH4"	16.019271
"38253"	1011.554066	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M-2H+Na"	20.974666
"475626"	1506.843766	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M-2H+Na"	20.974666
"853428"	516.264366	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-2H+Na"	20.974666
"1627338"	516.264366	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Na-2H"	20.974666
"101681"	512.270763	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M-H+Cl"	33.962126
"540147"	759.915613	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M-H+Cl"	33.962126
"935850"	264.625913	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-H+Cl"	33.962126
"281580"	1025.548802	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+Cl"	34.969402
"672299"	1520.838502	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+Cl"	34.969402
"1282515"	530.259102	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Cl"	34.969402
"28357"	1027.528006	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M-2H+K"	36.948606
"468645"	1522.817706	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M-2H+K"	36.948606
"843528"	532.238306	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-2H+K"	36.948606
"1564831"	532.238306	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+K-2H"	36.948606
"948339"	540.287894	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-H+HCOOH"	44.998194
"372026"	1035.577601	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+HCOOH-H"	44.998201
"354814"	1049.593251	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+Hac-H"	59.013851
"1500365"	554.303551	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Hac-H"	59.013851
"965718"	562.269851	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-H+NaCOOH"	66.980151
"121188"	530.259102	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+2Cl"	69.938804
"564031"	777.903952	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+2Cl"	69.938804
"1031735"	282.614252	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2Cl"	69.938804
"1251313"	574.208585	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Br"	78.918885
"1313762"	576.264572	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Cl+HCOOH"	80.974872
"1331259"	598.246529	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Cl+NaCOOH"	102.956829
"920128"	608.275286	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M-H+CF3COOH"	112.985586
"1293558"	644.251964	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Cl+CF3COOH"	148.962264
"1368801"	460.277024	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H-2H2O"	-35.012676
"1391404"	478.287	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H-H2O"	-17.0027
"292185"	991.586676	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+H"	1.007276
"680232"	1486.876376	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+H"	1.007276
"1351873"	496.296976	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H"	1.007276
"137132"	496.296976	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+2H"	2.014552
"576693"	743.941826	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+2H"	2.014552
"1045132"	248.652126	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2H"	2.014552
"214487"	331.200409333333	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+3H"	3.021828
"651865"	496.296976	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+3H"	3.021828
"1176921"	166.103842666667	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+3H"	3.021828
"439342"	1008.613223	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+NH4"	18.033823
"800585"	1503.902923	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+NH4"	18.033823
"1692780"	513.323523	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+NH4"	18.033823
"341061"	504.8102495	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+H+NH4"	19.041099
"737495"	752.4550995	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+H+NH4"	19.041099
"1486210"	257.1653995	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H+NH4"	19.041099
"401611"	1013.568618	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+Na"	22.989218
"763696"	1508.858318	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+Na"	22.989218
"1617019"	518.278918	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Na"	22.989218
"328391"	507.287947	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+H+Na"	23.996494
"718635"	754.932797	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+H+Na"	23.996494
"1468082"	259.643097	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H+Na"	23.996494
"1059139"	173.431156666667	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2H+Na"	25.00377
"1263004"	528.323186	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+CH3OH+H"	33.033486
"382673"	1029.542558	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+K"	38.963158
"745854"	1524.832258	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+K"	38.963158
"1541345"	534.252858	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+K"	38.963158
"303989"	515.274917	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+H+K"	39.970434
"697504"	762.919767	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+H+K"	39.970434
"1452415"	267.630067	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H+K"	39.970434
"243206"	1032.613226	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+ACN+H"	42.033826
"1218100"	537.323526	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+ACN+H"	42.033826
"1203078"	269.165401	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+ACN+2H"	43.041102
"200685"	1035.55056	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+2Na-H"	44.97116
"636598"	1530.84026	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+2Na-H"	44.97116
"1134639"	540.26086	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2Na-H"	44.97116
"175017"	518.278918	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+2Na"	45.978436
"614573"	765.923768	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+2Na"	45.978436
"1120638"	270.634068	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2Na"	45.978436
"1405625"	180.758470666667	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H+2Na"	46.985712
"1437741"	542.302446	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H+HCOOH"	47.012746
"230717"	523.31194	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+3H2O+2H"	56.04448
"1515499"	556.35449	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+IsoProp+H"	61.06479
"420657"	526.265888	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+Na+K"	61.952376
"780560"	773.910738	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+Na+K"	61.952376
"1674704"	278.621038	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Na+K"	61.952376
"260132"	1054.595168	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+ACN+Na"	64.015768
"1236123"	559.305468	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+ACN+Na"	64.015768
"1721726"	559.328993	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+NH4+HCOOH"	64.039293
"1190360"	188.085784666667	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+3Na"	68.967654
"1663173"	564.284388	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Na+HCOOH"	68.994688
"170398"	1067.49844	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+2K-H"	76.91904
"606677"	1562.78814	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+2K-H"	76.91904
"1094469"	572.20874	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2K-H"	76.91904
"145818"	534.252858	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"2M+2K"	77.926316
"590846"	781.897708	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"3M+2K"	77.926316
"1078639"	286.608008	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2K"	77.926316
"1112821"	574.223292	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2K+H"	78.933592
"1347138"	574.310907	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+DMSO+H"	79.021207
"1014577"	578.350076	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2ACN+H"	83.060376
"1533796"	579.343708	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+IsoProp+Na+H"	84.054008
"1002429"	289.678676	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+2ACN+2H"	84.067652
"1595841"	580.258328	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+K+HCOOH"	84.968628
"1423687"	610.289838	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+H+CF3COOH"	115.000138
"1157258"	310.191951	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+3ACN+2H"	125.094202
"1708996"	627.316385	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+NH4+CF3COOH"	132.026685
"1646469"	632.27178	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+Na+CF3COOH"	136.98208
"1584669"	648.24572	"C07222"	"Mibefradil"	"C29H38FN3O3"	"495.2897"	"M+K+CF3COOH"	152.95602
"815034"	211.0746	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M"	0
"985288"	192.05621	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-H2O-H"	-19.01839
"68065"	139.709124	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M-3H"	-3.021828
"508719"	210.067324	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M-3H"	-3.021828
"885426"	69.350924	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-3H"	-3.021828
"7282"	210.067324	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M-2H"	-2.014552
"447936"	315.604624	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M-2H"	-2.014552
"829019"	104.530024	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-2H"	-2.014552
"92905"	421.141924	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M-H"	-1.007276
"532959"	632.216524	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M-H"	-1.007276
"906379"	210.067324	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-H"	-1.007276
"55285"	438.168471	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M-2H+NH4"	16.019271
"494845"	649.243071	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M-2H+NH4"	16.019271
"866812"	227.093871	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-2H+NH4"	16.019271
"41643"	443.123866	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M-2H+Na"	20.974666
"479016"	654.198466	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M-2H+Na"	20.974666
"854631"	232.049266	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-2H+Na"	20.974666
"1627445"	232.049266	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Na-2H"	20.974666
"103976"	228.055663	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M-H+Cl"	33.962126
"543537"	333.592963	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M-H+Cl"	33.962126
"937052"	122.518363	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-H+Cl"	33.962126
"280962"	457.118602	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+Cl"	34.969402
"670222"	668.193202	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+Cl"	34.969402
"1282625"	246.044002	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Cl"	34.969402
"29199"	459.097806	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M-2H+K"	36.948606
"469487"	670.172406	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M-2H+K"	36.948606
"842545"	248.023206	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-2H+K"	36.948606
"1566034"	248.023206	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+K-2H"	36.948606
"948449"	256.072794	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-H+HCOOH"	44.998194
"369950"	467.147401	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+HCOOH-H"	44.998201
"359296"	481.163051	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+Hac-H"	59.013851
"1502661"	270.088451	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Hac-H"	59.013851
"965828"	278.054751	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-H+NaCOOH"	66.980151
"122391"	246.044002	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+2Cl"	69.938804
"562684"	351.581302	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+2Cl"	69.938804
"1028565"	140.506702	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2Cl"	69.938804
"1249236"	289.993485	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Br"	78.918885
"1316058"	292.049472	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Cl+HCOOH"	80.974872
"1331368"	314.031429	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Cl+NaCOOH"	102.956829
"921331"	324.060186	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M-H+CF3COOH"	112.985586
"1293668"	360.036864	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Cl+CF3COOH"	148.962264
"1368912"	176.061924	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H-2H2O"	-35.012676
"1390421"	194.0719	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H-H2O"	-17.0027
"290109"	423.156476	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+H"	1.007276
"682528"	634.231076	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+H"	1.007276
"1351582"	212.081876	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H"	1.007276
"132869"	212.081876	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+2H"	2.014552
"574615"	317.619176	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+2H"	2.014552
"1045605"	106.544576	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2H"	2.014552
"213503"	141.723676	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+3H"	3.021828
"654161"	212.081876	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+3H"	3.021828
"1175572"	71.365476	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+3H"	3.021828
"438480"	440.183023	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+NH4"	18.033823
"800088"	651.257623	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+NH4"	18.033823
"1693983"	229.108423	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+NH4"	18.033823
"342267"	220.5951495	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+H+NH4"	19.041099
"735781"	326.1324495	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+H+NH4"	19.041099
"1485225"	115.0578495	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H+NH4"	19.041099
"406095"	445.138418	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+Na"	22.989218
"761621"	656.213018	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+Na"	22.989218
"1617007"	234.063818	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Na"	22.989218
"328625"	223.072847	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+H+Na"	23.996494
"721298"	328.610147	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+H+Na"	23.996494
"1463820"	117.535547	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H+Na"	23.996494
"1054875"	78.69279	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2H+Na"	25.00377
"1259835"	244.108086	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+CH3OH+H"	33.033486
"380960"	461.112358	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+K"	38.963158
"741225"	672.186958	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+K"	38.963158
"1541457"	250.037758	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+K"	38.963158
"304099"	231.059817	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+H+K"	39.970434
"697614"	336.597117	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+H+K"	39.970434
"1451432"	125.522517	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H+K"	39.970434
"242222"	464.183026	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+ACN+H"	42.033826
"1219305"	253.108426	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+ACN+H"	42.033826
"1205373"	127.057851	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+ACN+2H"	43.041102
"201160"	467.12036	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+2Na-H"	44.97116
"638895"	678.19496	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+2Na-H"	44.97116
"1131911"	256.04576	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2Na-H"	44.97116
"175123"	234.063818	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+2Na"	45.978436
"613832"	339.601118	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+2Na"	45.978436
"1117103"	128.526518	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2Na"	45.978436
"1409017"	86.020104	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H+2Na"	46.985712
"1437849"	258.087346	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H+HCOOH"	47.012746
"229733"	239.09684	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+3H2O+2H"	56.04448
"1518889"	272.13939	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+IsoProp+H"	61.06479
"415300"	242.050788	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+Na+K"	61.952376
"782857"	347.588088	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+Na+K"	61.952376
"1674814"	136.513488	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Na+K"	61.952376
"264616"	486.164968	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+ACN+Na"	64.015768
"1239512"	275.090368	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+ACN+Na"	64.015768
"1726576"	275.113893	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+NH4+HCOOH"	64.039293
"1189377"	93.347418	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+3Na"	68.967654
"1663648"	280.069288	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Na+HCOOH"	68.994688
"170508"	499.06824	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+2K-H"	76.91904
"607881"	710.14284	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+2K-H"	76.91904
"1092393"	287.99364	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2K-H"	76.91904
"145928"	250.037758	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"2M+2K"	77.926316
"589863"	355.575058	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"3M+2K"	77.926316
"1076562"	144.500458	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2K"	77.926316
"1113051"	290.008192	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2K+H"	78.933592
"1348343"	290.095807	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+DMSO+H"	79.021207
"1015779"	294.134976	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2ACN+H"	83.060376
"1537186"	295.128608	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+IsoProp+Na+H"	84.054008
"1001446"	147.571126	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+2ACN+2H"	84.067652
"1595951"	296.043228	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+K+HCOOH"	84.968628
"1423797"	326.074738	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+H+CF3COOH"	115.000138
"1156275"	168.084401	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+3ACN+2H"	125.094202
"1709106"	343.101285	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+NH4+CF3COOH"	132.026685
"1646579"	348.05668	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+Na+CF3COOH"	136.98208
"1584779"	364.03062	"C07224"	"Milrinone"	"C12H9N3O"	"211.0746"	"M+K+CF3COOH"	152.95602
"815144"	457.1849	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M"	0
"985398"	438.16651	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-H2O-H"	-19.01839
"68175"	303.782657333333	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M-3H"	-3.021828
"508829"	456.177624	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M-3H"	-3.021828
"886629"	151.387690666667	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-3H"	-3.021828
"7392"	456.177624	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M-2H"	-2.014552
"448046"	684.770074	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M-2H"	-2.014552
"831315"	227.585174	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-2H"	-2.014552
"93257"	913.362524	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M-H"	-1.007276
"534149"	1370.547424	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M-H"	-1.007276
"902115"	456.177624	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-H"	-1.007276
"58676"	930.389071	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M-2H+NH4"	16.019271
"498236"	1387.573971	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M-2H+NH4"	16.019271
"870570"	473.204171	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-2H+NH4"	16.019271
"41754"	935.344466	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M-2H+Na"	20.974666
"479127"	1392.529366	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M-2H+Na"	20.974666
"854741"	478.159566	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-2H+Na"	20.974666
"1627556"	478.159566	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Na-2H"	20.974666
"98618"	474.165963	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M-H+Cl"	33.962126
"541460"	702.758413	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M-H+Cl"	33.962126
"940443"	245.573513	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-H+Cl"	33.962126
"275719"	949.339202	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+Cl"	34.969402
"673247"	1406.524102	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+Cl"	34.969402
"1282734"	492.154302	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Cl"	34.969402
"27123"	951.318406	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M-2H+K"	36.948606
"469595"	1408.503306	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M-2H+K"	36.948606
"843748"	494.133506	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-2H+K"	36.948606
"1567240"	494.133506	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+K-2H"	36.948606
"951839"	502.183094	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-H+HCOOH"	44.998194
"375890"	959.368001	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+HCOOH-H"	44.998201
"360499"	973.383651	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+Hac-H"	59.013851
"1502771"	516.198751	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Hac-H"	59.013851
"965938"	524.165051	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-H+NaCOOH"	66.980151
"123594"	492.154302	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+2Cl"	69.938804
"562430"	720.746752	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+2Cl"	69.938804
"1033779"	263.561852	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2Cl"	69.938804
"1251534"	536.103785	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Br"	78.918885
"1316168"	538.159772	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Cl+HCOOH"	80.974872
"1332576"	560.141729	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Cl+NaCOOH"	102.956829
"920349"	570.170486	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M-H+CF3COOH"	112.985586
"1298153"	606.147164	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Cl+CF3COOH"	148.962264
"1367685"	422.172224	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H-2H2O"	-35.012676
"1393449"	440.1822	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H-H2O"	-17.0027
"291312"	915.377076	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+H"	1.007276
"680452"	1372.561976	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+H"	1.007276
"1351330"	458.192176	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H"	1.007276
"129697"	458.192176	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+2H"	2.014552
"568165"	686.784626	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+2H"	2.014552
"1043525"	229.599726	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2H"	2.014552
"215076"	305.797209333333	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+3H"	3.021828
"655729"	458.192176	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+3H"	3.021828
"1178472"	153.402242666667	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+3H"	3.021828
"438590"	932.403623	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+NH4"	18.033823
"801315"	1389.588523	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+NH4"	18.033823
"1694093"	475.218723	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+NH4"	18.033823
"345541"	466.7054495	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+H+NH4"	19.041099
"737675"	695.2978995	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+H+NH4"	19.041099
"1491534"	238.1129995	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H+NH4"	19.041099
"408314"	937.359018	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+Na"	22.989218
"767928"	1394.543918	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+Na"	22.989218
"1615299"	480.174118	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Na"	22.989218
"326427"	469.183147	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+H+Na"	23.996494
"721042"	697.775597	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+H+Na"	23.996494
"1467211"	240.590697	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H+Na"	23.996494
"1059363"	160.729556666667	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2H+Na"	25.00377
"1262134"	490.218386	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+CH3OH+H"	33.033486
"380707"	953.332958	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+K"	38.963158
"746077"	1410.517858	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+K"	38.963158
"1548128"	496.148058	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+K"	38.963158
"305304"	477.170117	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+H+K"	39.970434
"702100"	705.762567	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+H+K"	39.970434
"1460294"	248.577667	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H+K"	39.970434
"247801"	956.403626	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+ACN+H"	42.033826
"1221602"	499.218726	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+ACN+H"	42.033826
"1207672"	250.113001	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+ACN+2H"	43.041102
"202606"	959.34096	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+2Na-H"	44.97116
"637912"	1416.52586	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+2Na-H"	44.97116
"1133766"	502.15606	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2Na-H"	44.97116
"174262"	480.174118	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+2Na"	45.978436
"614431"	708.766568	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+2Na"	45.978436
"1125598"	251.581668	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2Na"	45.978436
"1408030"	168.056870666667	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H+2Na"	46.985712
"1441607"	504.197646	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H+HCOOH"	47.012746
"229844"	485.20714	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+3H2O+2H"	56.04448
"1517544"	518.24969	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+IsoProp+H"	61.06479
"417597"	488.161088	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+Na+K"	61.952376
"785360"	716.753538	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+Na+K"	61.952376
"1680881"	259.568638	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Na+K"	61.952376
"266190"	978.385568	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+ACN+Na"	64.015768
"1241085"	521.200668	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+ACN+Na"	64.015768
"1727172"	521.224193	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+NH4+HCOOH"	64.039293
"1192404"	175.384184666667	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+3Na"	68.967654
"1665219"	526.179588	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Na+HCOOH"	68.994688
"169523"	991.28884	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+2K-H"	76.91904
"610179"	1448.47374	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+2K-H"	76.91904
"1094690"	534.10394	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2K-H"	76.91904
"148226"	496.148058	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"2M+2K"	77.926316
"588879"	724.740508	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"3M+2K"	77.926316
"1076672"	267.555608	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2K"	77.926316
"1113162"	536.118492	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2K+H"	78.933592
"1348452"	536.206107	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+DMSO+H"	79.021207
"1015889"	540.245276	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2ACN+H"	83.060376
"1536202"	541.238908	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+IsoProp+Na+H"	84.054008
"1001556"	270.626276	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+2ACN+2H"	84.067652
"1598248"	542.153528	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+K+HCOOH"	84.968628
"1425001"	572.185038	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+H+CF3COOH"	115.000138
"1154197"	291.139551	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+3ACN+2H"	125.094202
"1710309"	589.211585	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+NH4+CF3COOH"	132.026685
"1647783"	594.16698	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+Na+CF3COOH"	136.98208
"1584889"	610.14092	"C07225"	"Minocycline"	"C23H27N3O7"	"457.1849"	"M+K+CF3COOH"	152.95602
"811974"	473.1661	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M"	0
"988426"	454.14771	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-H2O-H"	-19.01839
"71565"	314.436790666667	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M-3H"	-3.021828
"508939"	472.158824	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M-3H"	-3.021828
"883458"	156.714757333333	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-3H"	-3.021828
"4220"	472.158824	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M-2H"	-2.014552
"444875"	708.741874	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M-2H"	-2.014552
"822676"	235.575774	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-2H"	-2.014552
"87047"	945.324924	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M-H"	-1.007276
"534065"	1418.491024	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M-H"	-1.007276
"909758"	472.158824	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-H"	-1.007276
"57692"	962.351471	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M-2H+NH4"	16.019271
"492878"	1435.517571	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M-2H+NH4"	16.019271
"868857"	489.185371	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-2H+NH4"	16.019271
"37489"	967.306866	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M-2H+Na"	20.974666
"475590"	1440.472966	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M-2H+Na"	20.974666
"853759"	494.140766	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-2H+Na"	20.974666
"1629854"	494.140766	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Na-2H"	20.974666
"100916"	490.147163	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M-H+Cl"	33.962126
"541571"	726.730213	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M-H+Cl"	33.962126
"938366"	253.564113	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-H+Cl"	33.962126
"272549"	981.301602	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+Cl"	34.969402
"672264"	1454.467702	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+Cl"	34.969402
"1278470"	508.135502	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Cl"	34.969402
"30148"	983.280806	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M-2H+K"	36.948606
"470434"	1456.446906	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M-2H+K"	36.948606
"847952"	510.114706	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-2H+K"	36.948606
"1569535"	510.114706	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+K-2H"	36.948606
"951950"	518.164294	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-H+HCOOH"	44.998194
"376244"	991.330401	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+HCOOH-H"	44.998201
"360371"	1005.346051	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+Hac-H"	59.013851
"1507255"	532.179951	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Hac-H"	59.013851
"966048"	540.146251	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-H+NaCOOH"	66.980151
"119329"	508.135502	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+2Cl"	69.938804
"561082"	744.718552	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+2Cl"	69.938804
"1034253"	271.552452	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2Cl"	69.938804
"1252737"	552.084985	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Br"	78.918885
"1315185"	554.140972	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Cl+HCOOH"	80.974872
"1333779"	576.122929	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Cl+NaCOOH"	102.956829
"922646"	586.151686	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M-H+CF3COOH"	112.985586
"1296076"	622.128364	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Cl+CF3COOH"	148.962264
"1368402"	438.153424	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H-2H2O"	-35.012676
"1391736"	456.1634	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H-H2O"	-17.0027
"291422"	947.339476	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+H"	1.007276
"680562"	1420.505576	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+H"	1.007276
"1351558"	474.173376	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H"	1.007276
"133087"	474.173376	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+2H"	2.014552
"570461"	710.756426	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+2H"	2.014552
"1041810"	237.590326	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2H"	2.014552
"208255"	316.451342666667	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+3H"	3.021828
"651098"	474.173376	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+3H"	3.021828
"1172503"	158.729309333333	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+3H"	3.021828
"434683"	964.366023	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+NH4"	18.033823
"800795"	1437.532123	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+NH4"	18.033823
"1694202"	491.199923	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+NH4"	18.033823
"345407"	482.6866495	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+H+NH4"	19.041099
"738495"	719.2696995	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+H+NH4"	19.041099
"1492610"	246.1035995	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H+NH4"	19.041099
"408473"	969.321418	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+Na"	22.989218
"769133"	1442.487518	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+Na"	22.989218
"1618329"	496.155318	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Na"	22.989218
"329946"	485.164347	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+H+Na"	23.996494
"722124"	721.747397	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+H+Na"	23.996494
"1469508"	248.581297	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H+Na"	23.996494
"1060565"	166.056623333333	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2H+Na"	25.00377
"1261150"	506.199586	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+CH3OH+H"	33.033486
"380816"	985.295358	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+K"	38.963158
"742907"	1458.461458	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+K"	38.963158
"1550424"	512.129258	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+K"	38.963158
"304322"	493.151317	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+H+K"	39.970434
"703303"	729.734367	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+H+K"	39.970434
"1458218"	256.568267	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H+K"	39.970434
"247911"	988.366026	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+ACN+H"	42.033826
"1223169"	515.199926	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+ACN+H"	42.033826
"1207054"	258.103601	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+ACN+2H"	43.041102
"203650"	991.30336	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+2Na-H"	44.97116
"639845"	1464.46946	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+2Na-H"	44.97116
"1133515"	518.13726	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2Na-H"	44.97116
"173886"	496.155318	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+2Na"	45.978436
"614909"	732.738368	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+2Na"	45.978436
"1127895"	259.572268	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2Na"	45.978436
"1408140"	173.383937333333	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H+2Na"	46.985712
"1438069"	520.178846	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H+HCOOH"	47.012746
"227764"	501.18834	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+3H2O+2H"	56.04448
"1520203"	534.23089	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+IsoProp+H"	61.06479
"420622"	504.142288	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+Na+K"	61.952376
"785451"	740.725338	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+Na+K"	61.952376
"1679409"	267.559238	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Na+K"	61.952376
"266301"	1010.347968	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+ACN+Na"	64.015768
"1240469"	537.181868	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+ACN+Na"	64.015768
"1727282"	537.205393	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+NH4+HCOOH"	64.039293
"1193653"	180.711251333333	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+3Na"	68.967654
"1665286"	542.160788	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Na+HCOOH"	68.994688
"172311"	1023.25124	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+2K-H"	76.91904
"610286"	1496.41734	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+2K-H"	76.91904
"1095892"	550.08514	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2K-H"	76.91904
"148336"	512.129258	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"2M+2K"	77.926316
"591177"	748.712308	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"3M+2K"	77.926316
"1078969"	275.546208	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2K"	77.926316
"1112179"	552.099692	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2K+H"	78.933592
"1350996"	552.187307	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+DMSO+H"	79.021207
"1015999"	556.226476	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2ACN+H"	83.060376
"1538499"	557.220108	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+IsoProp+Na+H"	84.054008
"1000572"	278.616876	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+2ACN+2H"	84.067652
"1596172"	558.134728	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+K+HCOOH"	84.968628
"1422924"	588.166238	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+H+CF3COOH"	115.000138
"1154307"	299.130151	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+3ACN+2H"	125.094202
"1711393"	605.192785	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+NH4+CF3COOH"	132.026685
"1647162"	610.14818	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+Na+CF3COOH"	136.98208
"1584999"	626.12212	"C07228"	"Raloxifene;LY 139481"	"C28H27NO4S"	"473.1661"	"M+K+CF3COOH"	152.95602
"815364"	276.1838	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M"	0
"985618"	257.16541	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-H2O-H"	-19.01839
"71675"	183.115257333333	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M-3H"	-3.021828
"509049"	275.176524	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M-3H"	-3.021828
"884661"	91.0539906666667	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-3H"	-3.021828
"6516"	275.176524	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M-2H"	-2.014552
"446078"	413.268424	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M-2H"	-2.014552
"823879"	137.084624	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-2H"	-2.014552
"88251"	551.360324	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M-H"	-1.007276
"533285"	827.544124	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M-H"	-1.007276
"909989"	275.176524	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-H"	-1.007276
"57802"	568.386871	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M-2H+NH4"	16.019271
"490800"	844.570671	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M-2H+NH4"	16.019271
"868602"	292.203071	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-2H+NH4"	16.019271
"38693"	573.342266	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M-2H+Na"	20.974666
"476066"	849.526066	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M-2H+Na"	20.974666
"857149"	297.158466	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-2H+Na"	20.974666
"1631057"	297.158466	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Na-2H"	20.974666
"106493"	293.164863	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M-H+Cl"	33.962126
"544961"	431.256763	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M-H+Cl"	33.962126
"935196"	155.072963	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-H+Cl"	33.962126
"275939"	587.337002	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+Cl"	34.969402
"670551"	863.520802	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+Cl"	34.969402
"1277486"	311.153202	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Cl"	34.969402
"22229"	589.316206	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M-2H+K"	36.948606
"465071"	865.500006	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M-2H+K"	36.948606
"840685"	313.132406	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-2H+K"	36.948606
"1568552"	313.132406	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+K-2H"	36.948606
"950967"	321.181994	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-H+HCOOH"	44.998194
"374287"	597.365801	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+HCOOH-H"	44.998201
"360598"	611.381451	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+Hac-H"	59.013851
"1507365"	335.197651	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Hac-H"	59.013851
"967251"	343.163951	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-H+NaCOOH"	66.980151
"119439"	311.153202	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+2Cl"	69.938804
"562285"	449.245102	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+2Cl"	69.938804
"1034363"	173.061302	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2Cl"	69.938804
"1252847"	355.102685	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Br"	78.918885
"1313108"	357.158672	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Cl+HCOOH"	80.974872
"1333888"	379.140629	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Cl+NaCOOH"	102.956829
"922756"	389.169386	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M-H+CF3COOH"	112.985586
"1297280"	425.146064	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Cl+CF3COOH"	148.962264
"1368877"	241.171124	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H-2H2O"	-35.012676
"1392940"	259.1811	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H-H2O"	-17.0027
"292625"	553.374876	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+H"	1.007276
"680672"	829.558676	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+H"	1.007276
"1352277"	277.191076	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H"	1.007276
"132096"	277.191076	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+2H"	2.014552
"567647"	415.282976	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+2H"	2.014552
"1038639"	139.099176	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2H"	2.014552
"207272"	185.129809333333	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+3H"	3.021828
"653394"	277.191076	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+3H"	3.021828
"1171518"	93.0685426666667	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+3H"	3.021828
"427136"	570.401423	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+NH4"	18.033823
"789224"	846.585223	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+NH4"	18.033823
"1694312"	294.217623	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+NH4"	18.033823
"342589"	285.7043495	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+H+NH4"	19.041099
"738348"	423.7962495	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+H+NH4"	19.041099
"1492287"	147.6124495	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H+NH4"	19.041099
"408527"	575.356818	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+Na"	22.989218
"769891"	851.540618	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+Na"	22.989218
"1618426"	299.173018	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Na"	22.989218
"329938"	288.182047	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+H+Na"	23.996494
"722234"	426.273947	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+H+Na"	23.996494
"1467430"	150.090147	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H+Na"	23.996494
"1058489"	100.395856666667	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2H+Na"	25.00377
"1261988"	309.217286	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+CH3OH+H"	33.033486
"379833"	591.330758	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+K"	38.963158
"744109"	867.514558	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+K"	38.963158
"1550534"	315.146958	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+K"	38.963158
"303338"	296.169017	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+H+K"	39.970434
"700133"	434.260917	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+H+K"	39.970434
"1459056"	158.077117	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H+K"	39.970434
"246928"	594.401426	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+ACN+H"	42.033826
"1223887"	318.217626	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+ACN+H"	42.033826
"1207164"	159.612451	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+ACN+2H"	43.041102
"203314"	597.33876	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+2Na-H"	44.97116
"640319"	873.52256	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+2Na-H"	44.97116
"1135084"	321.15496	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2Na-H"	44.97116
"176551"	299.173018	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+2Na"	45.978436
"615748"	437.264918	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+2Na"	45.978436
"1122537"	161.081118	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2Na"	45.978436
"1407157"	107.723170666667	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H+2Na"	46.985712
"1437086"	323.196546	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H+HCOOH"	47.012746
"227874"	304.20604	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+3H2O+2H"	56.04448
"1521406"	337.24859	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+IsoProp+H"	61.06479
"416720"	307.159988	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+Na+K"	61.952376
"785135"	445.251888	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+Na+K"	61.952376
"1679519"	169.068088	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Na+K"	61.952376
"266044"	616.383368	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+ACN+Na"	64.015768
"1240693"	340.199568	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+ACN+Na"	64.015768
"1727392"	340.223093	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+NH4+HCOOH"	64.039293
"1192870"	115.050484666667	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+3Na"	68.967654
"1662882"	345.178488	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Na+HCOOH"	68.994688
"171566"	629.28664	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+2K-H"	76.91904
"608209"	905.47044	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+2K-H"	76.91904
"1096002"	353.10284	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2K-H"	76.91904
"157093"	315.146958	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"2M+2K"	77.926316
"588006"	453.238858	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"3M+2K"	77.926316
"1077986"	177.055058	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2K"	77.926316
"1113383"	355.117392	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2K+H"	78.933592
"1349767"	355.205007	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+DMSO+H"	79.021207
"1011736"	359.244176	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2ACN+H"	83.060376
"1535328"	360.237808	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+IsoProp+Na+H"	84.054008
"998495"	180.125726	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+2ACN+2H"	84.067652
"1596282"	361.152428	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+K+HCOOH"	84.968628
"1424127"	391.183938	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+H+CF3COOH"	115.000138
"1151137"	200.639001	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+3ACN+2H"	125.094202
"1708343"	408.210485	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+NH4+CF3COOH"	132.026685
"1647272"	413.16588	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+Na+CF3COOH"	136.98208
"1585109"	429.13982	"C07230"	"Molindone"	"C16H24N2O2"	"276.1838"	"M+K+CF3COOH"	152.95602
"815474"	520.1012	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M"	0
"985728"	501.08281	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-H2O-H"	-19.01839
"75065"	345.726857333333	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M-3H"	-3.021828
"514626"	519.093924	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M-3H"	-3.021828
"883680"	172.359790666667	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-3H"	-3.021828
"4440"	519.093924	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M-2H"	-2.014552
"445095"	779.144524	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M-2H"	-2.014552
"825082"	259.043324	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-2H"	-2.014552
"88361"	1039.195124	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M-H"	-1.007276
"531212"	1559.296324	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M-H"	-1.007276
"908646"	519.093924	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-H"	-1.007276
"59005"	1056.221671	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M-2H+NH4"	16.019271
"490182"	1576.322871	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M-2H+NH4"	16.019271
"866891"	536.120471	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-2H+NH4"	16.019271
"38803"	1061.177066	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M-2H+Na"	20.974666
"476176"	1581.278266	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M-2H+Na"	20.974666
"857259"	541.075866	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-2H+Na"	20.974666
"1630802"	541.075866	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Na-2H"	20.974666
"106603"	537.082263	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M-H+Cl"	33.962126
"548354"	797.132863	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M-H+Cl"	33.962126
"941380"	277.031663	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-H+Cl"	33.962126
"276048"	1075.171802	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+Cl"	34.969402
"670660"	1595.273002	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+Cl"	34.969402
"1276499"	555.070602	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Cl"	34.969402
"17963"	1077.151006	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M-2H+K"	36.948606
"458619"	1597.252206	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M-2H+K"	36.948606
"837513"	557.049806	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-2H+K"	36.948606
"1561001"	557.049806	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+K-2H"	36.948606
"953263"	565.099394	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-H+HCOOH"	44.998194
"374762"	1085.200601	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+HCOOH-H"	44.998201
"359736"	1099.216251	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+Hac-H"	59.013851
"1502007"	579.115051	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Hac-H"	59.013851
"966267"	587.081351	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-H+NaCOOH"	66.980151
"117361"	555.070602	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+2Cl"	69.938804
"564217"	815.121202	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+2Cl"	69.938804
"1034473"	295.020002	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2Cl"	69.938804
"1254050"	599.020085	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Br"	78.918885
"1312123"	601.076072	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Cl+HCOOH"	80.974872
"1330715"	623.058029	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Cl+NaCOOH"	102.956829
"917398"	633.086786	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M-H+CF3COOH"	112.985586
"1296296"	669.063464	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Cl+CF3COOH"	148.962264
"1369352"	485.088524	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H-2H2O"	-35.012676
"1393049"	503.0985	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H-H2O"	-17.0027
"290548"	1041.209676	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+H"	1.007276
"680782"	1561.310876	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+H"	1.007276
"1351578"	521.108476	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H"	1.007276
"128926"	521.108476	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+2H"	2.014552
"567757"	781.159076	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+2H"	2.014552
"1042757"	261.057876	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2H"	2.014552
"207382"	347.741409333333	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+3H"	3.021828
"653504"	521.108476	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+3H"	3.021828
"1172721"	174.374342666667	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+3H"	3.021828
"428339"	1058.236223	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+NH4"	18.033823
"790427"	1578.337423	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+NH4"	18.033823
"1694058"	538.135023	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+NH4"	18.033823
"340512"	529.6217495	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+H+NH4"	19.041099
"738297"	789.6723495	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+H+NH4"	19.041099
"1491501"	269.5711495	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H+NH4"	19.041099
"407508"	1063.191618	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+Na"	22.989218
"769116"	1583.292818	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+Na"	22.989218
"1618108"	543.090418	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Na"	22.989218
"329681"	532.099447	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+H+Na"	23.996494
"721496"	792.150047	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+H+Na"	23.996494
"1465354"	272.048847	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H+Na"	23.996494
"1057504"	181.701656666667	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2H+Na"	25.00377
"1264651"	553.134686	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+CH3OH+H"	33.033486
"381035"	1079.165558	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+K"	38.963158
"742033"	1599.266758	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+K"	38.963158
"1546273"	559.064358	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+K"	38.963158
"311832"	540.086417	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+H+K"	39.970434
"700972"	800.137017	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+H+K"	39.970434
"1457709"	280.035817	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H+K"	39.970434
"248863"	1082.236226	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+ACN+H"	42.033826
"1223997"	562.135026	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+ACN+H"	42.033826
"1207274"	281.571151	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+ACN+2H"	43.041102
"202692"	1085.17356	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+2Na-H"	44.97116
"640429"	1605.27476	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+2Na-H"	44.97116
"1135193"	565.07236	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2Na-H"	44.97116
"178484"	543.090418	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+2Na"	45.978436
"614764"	803.141018	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+2Na"	45.978436
"1120459"	283.039818	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2Na"	45.978436
"1406174"	189.028970666667	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H+2Na"	46.985712
"1436103"	567.113946	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H+HCOOH"	47.012746
"229078"	548.12344	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+3H2O+2H"	56.04448
"1520423"	581.16599	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+IsoProp+H"	61.06479
"416830"	551.077388	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+Na+K"	61.952376
"785248"	811.127988	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+Na+K"	61.952376
"1681088"	291.026788	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Na+K"	61.952376
"266521"	1104.218168	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+ACN+Na"	64.015768
"1240926"	584.116968	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+ACN+Na"	64.015768
"1727746"	584.140493	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+NH4+HCOOH"	64.039293
"1193099"	196.356284666667	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+3Na"	68.967654
"1664085"	589.095888	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Na+HCOOH"	68.994688
"172528"	1117.12144	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+2K-H"	76.91904
"611235"	1637.22264	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+2K-H"	76.91904
"1098909"	597.02024	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2K-H"	76.91904
"155848"	559.064358	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"2M+2K"	77.926316
"595649"	819.114958	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"3M+2K"	77.926316
"1079190"	299.013758	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2K"	77.926316
"1112765"	599.034792	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2K+H"	78.933592
"1350242"	599.122407	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+DMSO+H"	79.021207
"1015127"	603.161576	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2ACN+H"	83.060376
"1537625"	604.155208	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+IsoProp+Na+H"	84.054008
"1002858"	302.084426	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+2ACN+2H"	84.067652
"1597486"	605.069828	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+K+HCOOH"	84.968628
"1424237"	635.101338	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+H+CF3COOH"	115.000138
"1151247"	322.597701	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+3ACN+2H"	125.094202
"1706266"	652.127885	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+NH4+CF3COOH"	132.026685
"1647382"	657.08328	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+Na+CF3COOH"	136.98208
"1585219"	673.05722	"C07231"	"Moxalactam;Latamoxef"	"C20H20N6O9S"	"520.1012"	"M+K+CF3COOH"	152.95602
"815584"	846.4415	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M"	0
"982558"	827.42311	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-H2O-H"	-19.01839
"75173"	563.287057333333	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M-3H"	-3.021828
"511452"	845.434224	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M-3H"	-3.021828
"881234"	281.139890666667	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-3H"	-3.021828
"7830"	845.434224	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M-2H"	-2.014552
"445205"	1268.654974	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M-2H"	-2.014552
"824099"	422.213474	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-2H"	-2.014552
"88471"	1691.875724	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M-H"	-1.007276
"531686"	2538.317224	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M-H"	-1.007276
"909363"	845.434224	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-H"	-1.007276
"59115"	1708.902271	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M-2H+NH4"	16.019271
"489928"	2555.343771	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M-2H+NH4"	16.019271
"867730"	862.460771	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-2H+NH4"	16.019271
"38913"	1713.857666	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M-2H+Na"	20.974666
"475192"	2560.299166	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M-2H+Na"	20.974666
"857369"	867.416166	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-2H+Na"	20.974666
"1630912"	867.416166	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Na-2H"	20.974666
"107442"	863.422563	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M-H+Cl"	33.962126
"548096"	1286.643313	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M-H+Cl"	33.962126
"940882"	440.201813	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-H+Cl"	33.962126
"276158"	1727.852402	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+Cl"	34.969402
"669676"	2574.293902	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+Cl"	34.969402
"1274058"	881.410902	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Cl"	34.969402
"20259"	1729.831606	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M-2H+K"	36.948606
"459822"	2576.273106	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M-2H+K"	36.948606
"833611"	883.390106	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-2H+K"	36.948606
"1562204"	883.390106	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+K-2H"	36.948606
"947902"	891.439694	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-H+HCOOH"	44.998194
"366117"	1737.881201	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+HCOOH-H"	44.998201
"351825"	1751.896851	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+Hac-H"	59.013851
"1498835"	905.455351	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Hac-H"	59.013851
"960538"	913.421651	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-H+NaCOOH"	66.980151
"111266"	881.410902	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+2Cl"	69.938804
"560314"	1304.631652	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+2Cl"	69.938804
"1030208"	458.190152	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2Cl"	69.938804
"1253066"	925.360385	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Br"	78.918885
"1312233"	927.416372	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Cl+HCOOH"	80.974872
"1328637"	949.398329	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Cl+NaCOOH"	102.956829
"911482"	959.427086	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M-H+CF3COOH"	112.985586
"1292758"	995.403764	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Cl+CF3COOH"	148.962264
"1369826"	811.428824	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H-2H2O"	-35.012676
"1389877"	829.4388	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H-H2O"	-17.0027
"290658"	1693.890276	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+H"	1.007276
"680892"	2540.331776	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+H"	1.007276
"1353956"	847.448776	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H"	1.007276
"128305"	847.448776	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+2H"	2.014552
"566774"	1270.669526	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+2H"	2.014552
"1037639"	424.228026	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2H"	2.014552
"209678"	565.301609333333	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+3H"	3.021828
"649238"	847.448776	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+3H"	3.021828
"1165539"	283.154442666667	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+3H"	3.021828
"427355"	1710.916823	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+NH4"	18.033823
"787614"	2557.358323	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+NH4"	18.033823
"1694532"	864.475323	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+NH4"	18.033823
"340622"	855.9620495	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+H+NH4"	19.041099
"737546"	1279.1827995	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+H+NH4"	19.041099
"1491973"	432.7412995	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H+NH4"	19.041099
"405545"	1715.872218	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+Na"	22.989218
"769470"	2562.313718	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+Na"	22.989218
"1615732"	869.430718	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Na"	22.989218
"329391"	858.439747	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+H+Na"	23.996494
"721970"	1281.660497	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+H+Na"	23.996494
"1465464"	435.218997	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H+Na"	23.996494
"1057977"	290.481756666667	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2H+Na"	25.00377
"1263666"	879.474986	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+CH3OH+H"	33.033486
"382239"	1731.846158	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+K"	38.963158
"743235"	2578.287658	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+K"	38.963158
"1549660"	885.404658	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+K"	38.963158
"309026"	866.426717	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+H+K"	39.970434
"701447"	1289.647467	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+H+K"	39.970434
"1458548"	443.205967	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H+K"	39.970434
"248607"	1734.916826	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+ACN+H"	42.033826
"1223864"	888.475326	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+ACN+H"	42.033826
"1208356"	444.741301	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+ACN+2H"	43.041102
"203045"	1737.85416	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+2Na-H"	44.97116
"640539"	2584.29566	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+2Na-H"	44.97116
"1137490"	891.41266	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2Na-H"	44.97116
"181874"	869.430718	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+2Na"	45.978436
"613902"	1292.651468	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+2Na"	45.978436
"1122755"	446.209968	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2Na"	45.978436
"1408470"	297.809070666667	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H+2Na"	46.985712
"1438399"	893.454246	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H+HCOOH"	47.012746
"229188"	874.46374	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+3H2O+2H"	56.04448
"1521262"	907.50629	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+IsoProp+H"	61.06479
"416940"	877.417688	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+Na+K"	61.952376
"781220"	1300.638438	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+Na+K"	61.952376
"1679619"	454.196938	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Na+K"	61.952376
"266506"	1756.898768	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+ACN+Na"	64.015768
"1240795"	910.457268	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+ACN+Na"	64.015768
"1727127"	910.480793	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+NH4+HCOOH"	64.039293
"1191029"	305.136384666667	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+3Na"	68.967654
"1663102"	915.436188	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Na+HCOOH"	68.994688
"171789"	1769.80204	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+2K-H"	76.91904
"611345"	2616.24354	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+2K-H"	76.91904
"1097685"	923.36054	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2K-H"	76.91904
"156320"	885.404658	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"2M+2K"	77.926316
"595517"	1308.625408	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"3M+2K"	77.926316
"1080393"	462.183908	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2K"	77.926316
"1113604"	925.375092	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2K+H"	78.933592
"1350476"	925.462707	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+DMSO+H"	79.021207
"1018518"	929.501876	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2ACN+H"	83.060376
"1537735"	930.495508	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+IsoProp+Na+H"	84.054008
"998715"	465.254576	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+2ACN+2H"	84.067652
"1597596"	931.410128	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+K+HCOOH"	84.968628
"1421067"	961.441638	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+H+CF3COOH"	115.000138
"1151357"	485.767851	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+3ACN+2H"	125.094202
"1708563"	978.468185	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+NH4+CF3COOH"	132.026685
"1647128"	983.42358	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+Na+CF3COOH"	136.98208
"1585329"	999.39752	"C07235"	"Rifabutin"	"C46H62N4O11"	"846.4415"	"M+K+CF3COOH"	152.95602
"815694"	179.1674	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M"	0
"982668"	160.14901	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-H2O-H"	-19.01839
"74190"	118.437657333333	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M-3H"	-3.021828
"515937"	178.160124	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M-3H"	-3.021828
"882803"	58.7151906666667	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-3H"	-3.021828
"7941"	178.160124	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M-2H"	-2.014552
"445315"	267.743824	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M-2H"	-2.014552
"820929"	88.576424	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-2H"	-2.014552
"89674"	357.327524	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M-H"	-1.007276
"530702"	536.494924	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M-H"	-1.007276
"909956"	178.160124	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-H"	-1.007276
"59225"	374.354071	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M-2H+NH4"	16.019271
"490038"	553.521471	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M-2H+NH4"	16.019271
"868934"	195.186671	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-2H+NH4"	16.019271
"39023"	379.309466	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M-2H+Na"	20.974666
"475302"	558.476866	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M-2H+Na"	20.974666
"856385"	200.142066	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-2H+Na"	20.974666
"1631022"	200.142066	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Na-2H"	20.974666
"109497"	196.148463	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M-H+Cl"	33.962126
"548206"	285.732163	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M-H+Cl"	33.962126
"938805"	106.564763	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-H+Cl"	33.962126
"276268"	393.304202	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+Cl"	34.969402
"667599"	572.471602	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+Cl"	34.969402
"1277812"	214.136802	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Cl"	34.969402
"20369"	395.283406	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M-2H+K"	36.948606
"464305"	574.450806	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M-2H+K"	36.948606
"835543"	216.116006	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-2H+K"	36.948606
"1562314"	216.116006	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+K-2H"	36.948606
"950198"	224.165594	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-H+HCOOH"	44.998194
"367684"	403.333001	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+HCOOH-H"	44.998201
"349381"	417.348651	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+Hac-H"	59.013851
"1495295"	238.181251	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Hac-H"	59.013851
"960284"	246.147551	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-H+NaCOOH"	66.980151
"111740"	214.136802	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+2Cl"	69.938804
"560424"	303.720502	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+2Cl"	69.938804
"1032504"	124.553102	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2Cl"	69.938804
"1252083"	258.086285	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Br"	78.918885
"1313436"	260.142272	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Cl+HCOOH"	80.974872
"1330933"	282.124229	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Cl+NaCOOH"	102.956829
"914334"	292.152986	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M-H+CF3COOH"	112.985586
"1291775"	328.129664	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Cl+CF3COOH"	148.962264
"1369936"	144.154724	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H-2H2O"	-35.012676
"1389987"	162.1647	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H-H2O"	-17.0027
"290768"	359.342076	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+H"	1.007276
"681002"	538.509476	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+H"	1.007276
"1354431"	180.174676	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H"	1.007276
"131330"	180.174676	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+2H"	2.014552
"567976"	269.758376	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+2H"	2.014552
"1038114"	90.590976	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2H"	2.014552
"206870"	120.452209333333	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+3H"	3.021828
"646793"	180.174676	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+3H"	3.021828
"1165649"	60.7297426666667	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+3H"	3.021828
"426371"	376.368623	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+NH4"	18.033823
"787729"	555.536023	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+NH4"	18.033823
"1694278"	197.201223	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+NH4"	18.033823
"337452"	188.6879495	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+H+NH4"	19.041099
"737898"	278.2716495	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+H+NH4"	19.041099
"1492489"	99.1042495	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H+NH4"	19.041099
"404561"	381.324018	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+Na"	22.989218
"769614"	560.491418	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+Na"	22.989218
"1616935"	202.156618	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Na"	22.989218
"329412"	191.165647	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+H+Na"	23.996494
"721339"	280.749347	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+H+Na"	23.996494
"1465206"	101.581947	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H+Na"	23.996494
"1055171"	68.0570566666667	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2H+Na"	25.00377
"1261586"	212.200886	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+CH3OH+H"	33.033486
"380162"	397.297958	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+K"	38.963158
"742251"	576.465358	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+K"	38.963158
"1546488"	218.130558	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+K"	38.963158
"305851"	199.152617	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+H+K"	39.970434
"697180"	288.736317	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+H+K"	39.970434
"1453185"	109.568917	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H+K"	39.970434
"247257"	400.368626	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+ACN+H"	42.033826
"1222153"	221.201226	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+ACN+H"	42.033826
"1203848"	111.104251	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+ACN+2H"	43.041102
"199996"	403.30596	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+2Na-H"	44.97116
"640649"	582.47336	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+2Na-H"	44.97116
"1135413"	224.13856	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2Na-H"	44.97116
"175423"	202.156618	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+2Na"	45.978436
"618265"	291.740318	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+2Na"	45.978436
"1121772"	112.572918	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2Na"	45.978436
"1407486"	75.3843706666667	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H+2Na"	46.985712
"1438507"	226.180146	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H+HCOOH"	47.012746
"229298"	207.18964	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+3H2O+2H"	56.04448
"1521374"	240.23219	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+IsoProp+H"	61.06479
"420330"	210.143588	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+Na+K"	61.952376
"780237"	299.727288	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+Na+K"	61.952376
"1676569"	120.559888	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Na+K"	61.952376
"264183"	422.350568	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+ACN+Na"	64.015768
"1239078"	243.183168	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+ACN+Na"	64.015768
"1726871"	243.206693	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+NH4+HCOOH"	64.039293
"1191862"	82.7116846666667	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+3Na"	68.967654
"1663213"	248.162088	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Na+HCOOH"	68.994688
"171167"	435.25384	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+2K-H"	76.91904
"610726"	614.42124	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+2K-H"	76.91904
"1098522"	256.08644	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2K-H"	76.91904
"153147"	218.130558	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"2M+2K"	77.926316
"592710"	307.714258	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"3M+2K"	77.926316
"1083055"	128.546858	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2K"	77.926316
"1112622"	258.100992	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2K+H"	78.933592
"1349002"	258.188607	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+DMSO+H"	79.021207
"1017534"	262.227776	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2ACN+H"	83.060376
"1538938"	263.221408	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+IsoProp+Na+H"	84.054008
"1004293"	131.617526	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+2ACN+2H"	84.067652
"1593331"	264.136028	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+K+HCOOH"	84.968628
"1422271"	294.167538	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+H+CF3COOH"	115.000138
"1148186"	152.130801	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+3ACN+2H"	125.094202
"1705393"	311.194085	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+NH4+CF3COOH"	132.026685
"1649062"	316.14948	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+Na+CF3COOH"	136.98208
"1585439"	332.12342	"C07236"	"Rimantadine"	"C12H21N"	"179.1674"	"M+K+CF3COOH"	152.95602
"815804"	287.1521	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M"	0
"979498"	268.13371	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-H2O-H"	-19.01839
"66646"	190.427457333333	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M-3H"	-3.021828
"508393"	286.144824	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M-3H"	-3.021828
"881331"	94.7100906666667	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-3H"	-3.021828
"350"	286.144824	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M-2H"	-2.014552
"442873"	429.720874	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M-2H"	-2.014552
"818486"	142.568774	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-2H"	-2.014552
"88691"	573.296924	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M-H"	-1.007276
"532391"	860.449024	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M-H"	-1.007276
"909343"	286.144824	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-H"	-1.007276
"59335"	590.323471	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M-2H+NH4"	16.019271
"490876"	877.475571	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M-2H+NH4"	16.019271
"867949"	303.171371	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-2H+NH4"	16.019271
"39133"	595.278866	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M-2H+Na"	20.974666
"475776"	882.430966	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M-2H+Na"	20.974666
"857589"	308.126766	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-2H+Na"	20.974666
"1628216"	308.126766	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Na-2H"	20.974666
"105840"	304.133163	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M-H+Cl"	33.962126
"545400"	447.709213	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M-H+Cl"	33.962126
"936729"	160.557113	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-H+Cl"	33.962126
"274191"	609.273602	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+Cl"	34.969402
"665523"	896.425702	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+Cl"	34.969402
"1274643"	322.121502	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Cl"	34.969402
"17562"	611.252806	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M-2H+K"	36.948606
"461135"	898.404906	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M-2H+K"	36.948606
"833462"	324.100706	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-2H+K"	36.948606
"1560237"	324.100706	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+K-2H"	36.948606
"947392"	332.150294	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-H+HCOOH"	44.998194
"365607"	619.302401	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+HCOOH-H"	44.998201
"348761"	633.318051	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+Hac-H"	59.013851
"1492908"	346.165951	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Hac-H"	59.013851
"959294"	354.132251	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-H+NaCOOH"	66.980151
"110027"	322.121502	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+2Cl"	69.938804
"561627"	465.697552	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+2Cl"	69.938804
"1033707"	178.545452	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2Cl"	69.938804
"1253285"	366.070985	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Br"	78.918885
"1314639"	368.126972	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Cl+HCOOH"	80.974872
"1324846"	390.108929	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Cl+NaCOOH"	102.956829
"912136"	400.137686	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M-H+CF3COOH"	112.985586
"1290426"	436.114364	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Cl+CF3COOH"	148.962264
"1367979"	252.139424	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H-2H2O"	-35.012676
"1390097"	270.1494	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H-H2O"	-17.0027
"289785"	575.311476	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+H"	1.007276
"681476"	862.463576	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+H"	1.007276
"1353447"	288.159376	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H"	1.007276
"129254"	288.159376	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+2H"	2.014552
"568086"	431.735426	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+2H"	2.014552
"1038709"	144.583326	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2H"	2.014552
"205642"	192.442009333333	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+3H"	3.021828
"646658"	288.159376	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+3H"	3.021828
"1164302"	96.7246426666667	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+3H"	3.021828
"425752"	592.338023	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+NH4"	18.033823
"786502"	879.490123	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+NH4"	18.033823
"1692565"	305.185923	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+NH4"	18.033823
"337561"	296.6726495	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+H+NH4"	19.041099
"734358"	440.2486995	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+H+NH4"	19.041099
"1483803"	153.0965995	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H+NH4"	19.041099
"404671"	597.293418	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+Na"	22.989218
"769914"	884.445518	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+Na"	22.989218
"1615951"	310.141318	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Na"	22.989218
"329279"	299.150347	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+H+Na"	23.996494
"722504"	442.726397	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+H+Na"	23.996494
"1465317"	155.574297	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H+Na"	23.996494
"1055281"	104.051956666667	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2H+Na"	25.00377
"1258902"	320.185586	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+CH3OH+H"	33.033486
"379181"	613.267358	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+K"	38.963158
"740175"	900.419458	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+K"	38.963158
"1543320"	326.115258	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+K"	38.963158
"304869"	307.137317	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+H+K"	39.970434
"698384"	450.713367	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+H+K"	39.970434
"1451111"	163.561267	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H+K"	39.970434
"245180"	616.338026	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+ACN+H"	42.033826
"1222262"	329.185926	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+ACN+H"	42.033826
"1205052"	165.096601	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+ACN+2H"	43.041102
"199013"	619.27536	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+2Na-H"	44.97116
"637479"	906.42746	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+2Na-H"	44.97116
"1135523"	332.12326	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2Na-H"	44.97116
"178813"	310.141318	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+2Na"	45.978436
"616188"	453.717368	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+2Na"	45.978436
"1119695"	166.565268	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2Na"	45.978436
"1407596"	111.379270666667	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H+2Na"	46.985712
"1436430"	334.164846	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H+HCOOH"	47.012746
"226127"	315.17434	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+3H2O+2H"	56.04448
"1513094"	348.21689	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+IsoProp+H"	61.06479
"418254"	318.128288	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+Na+K"	61.952376
"780347"	461.704338	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+Na+K"	61.952376
"1675585"	174.552238	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Na+K"	61.952376
"265387"	638.319968	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+ACN+Na"	64.015768
"1240529"	351.167868	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+ACN+Na"	64.015768
"1725887"	351.191393	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+NH4+HCOOH"	64.039293
"1192334"	118.706584666667	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+3Na"	68.967654
"1664052"	356.146788	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Na+HCOOH"	68.994688
"171886"	651.22324	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+2K-H"	76.91904
"610836"	938.37534	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+2K-H"	76.91904
"1098633"	364.07114	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2K-H"	76.91904
"155444"	326.115258	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"2M+2K"	77.926316
"593914"	469.691308	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"3M+2K"	77.926316
"1081706"	182.539208	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2K"	77.926316
"1112732"	366.085692	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2K+H"	78.933592
"1350210"	366.173307	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+DMSO+H"	79.021207
"1019831"	370.212476	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2ACN+H"	83.060376
"1538809"	371.206108	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+IsoProp+Na+H"	84.054008
"1002947"	185.609876	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+2ACN+2H"	84.067652
"1591254"	372.120728	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+K+HCOOH"	84.968628
"1423476"	402.152238	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+H+CF3COOH"	115.000138
"1149390"	206.123151	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+3ACN+2H"	125.094202
"1708783"	419.178785	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+NH4+CF3COOH"	132.026685
"1649537"	424.13418	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+Na+CF3COOH"	136.98208
"1585549"	440.10812	"C07239"	"Ritodrine"	"C17H21NO3"	"287.1521"	"M+K+CF3COOH"	152.95602
"815672"	720.3128	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M"	0
"979608"	701.29441	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-H2O-H"	-19.01839
"65663"	479.201257333333	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M-3H"	-3.021828
"510690"	719.305524	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M-3H"	-3.021828
"880049"	239.096990666667	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-3H"	-3.021828
"3054"	719.305524	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M-2H"	-2.014552
"439988"	1079.461924	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M-2H"	-2.014552
"818594"	359.149124	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-2H"	-2.014552
"85519"	1439.618324	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M-H"	-1.007276
"534119"	2159.931124	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M-H"	-1.007276
"911232"	719.305524	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-H"	-1.007276
"58352"	1456.644871	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M-2H+NH4"	16.019271
"492444"	2176.957671	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M-2H+NH4"	16.019271
"868424"	736.332071	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-2H+NH4"	16.019271
"39243"	1461.600266	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M-2H+Na"	20.974666
"474064"	2181.913066	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M-2H+Na"	20.974666
"857699"	741.287466	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-2H+Na"	20.974666
"1628326"	741.287466	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Na-2H"	20.974666
"108136"	737.293863	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M-H+Cl"	33.962126
"545510"	1097.450263	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M-H+Cl"	33.962126
"935745"	377.137463	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-H+Cl"	33.962126
"273208"	1475.595002	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+Cl"	34.969402
"664539"	2195.907802	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+Cl"	34.969402
"1278033"	755.282202	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Cl"	34.969402
"18402"	1477.574206	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M-2H+K"	36.948606
"459058"	2197.887006	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M-2H+K"	36.948606
"833252"	757.261406	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-2H+K"	36.948606
"1558524"	757.261406	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+K-2H"	36.948606
"944951"	765.310994	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-H+HCOOH"	44.998194
"366447"	1485.623801	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+HCOOH-H"	44.998201
"347777"	1499.639451	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+Hac-H"	59.013851
"1492914"	779.326651	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Hac-H"	59.013851
"958676"	787.292951	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-H+NaCOOH"	66.980151
"110130"	755.282202	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+2Cl"	69.938804
"561737"	1115.438602	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+2Cl"	69.938804
"1033817"	395.125802	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2Cl"	69.938804
"1254490"	799.231685	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Br"	78.918885
"1314749"	801.287672	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Cl+HCOOH"	80.974872
"1324956"	823.269629	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Cl+NaCOOH"	102.956829
"912004"	833.298386	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M-H+CF3COOH"	112.985586
"1290536"	869.275064	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Cl+CF3COOH"	148.962264
"1367683"	685.300124	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H-2H2O"	-35.012676
"1390207"	703.3101	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H-H2O"	-17.0027
"288072"	1441.632876	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+H"	1.007276
"678670"	2161.945676	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+H"	1.007276
"1351855"	721.320076	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H"	1.007276
"127541"	721.320076	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+2H"	2.014552
"568196"	1081.476476	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+2H"	2.014552
"1037361"	361.163676	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2H"	2.014552
"206727"	481.215809333333	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+3H"	3.021828
"645553"	721.320076	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+3H"	3.021828
"1166599"	241.111542666667	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+3H"	3.021828
"429872"	1458.659423	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+NH4"	18.033823
"785733"	2178.972223	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+NH4"	18.033823
"1692675"	738.346623	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+NH4"	18.033823
"336578"	729.8333495	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+H+NH4"	19.041099
"728999"	1089.9897495	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+H+NH4"	19.041099
"1486100"	369.6769495	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H+NH4"	19.041099
"401497"	1463.614818	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+Na"	22.989218
"769596"	2183.927618	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+Na"	22.989218
"1616061"	743.302018	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Na"	22.989218
"323910"	732.311047	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+H+Na"	23.996494
"721682"	1092.467447	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+H+Na"	23.996494
"1464699"	372.154647	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H+Na"	23.996494
"1056850"	248.438856666667	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2H+Na"	25.00377
"1261810"	753.346286	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+CH3OH+H"	33.033486
"381478"	1479.588758	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+K"	38.963158
"743566"	2199.901558	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+K"	38.963158
"1548898"	759.275958	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+K"	38.963158
"306075"	740.298017	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+H+K"	39.970434
"701777"	1100.454417	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+H+K"	39.970434
"1456689"	380.141617	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H+K"	39.970434
"245289"	1482.659426	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+ACN+H"	42.033826
"1222372"	762.346626	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+ACN+H"	42.033826
"1207346"	381.676951	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+ACN+2H"	43.041102
"200216"	1485.59676	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+2Na-H"	44.97116
"634309"	2205.90956	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+2Na-H"	44.97116
"1138914"	765.28396	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2Na-H"	44.97116
"180016"	743.302018	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+2Na"	45.978436
"617392"	1103.458418	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+2Na"	45.978436
"1123086"	383.145618	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2Na"	45.978436
"1409893"	255.766170666667	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H+2Na"	46.985712
"1438727"	767.325546	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H+HCOOH"	47.012746
"231704"	748.33504	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+3H2O+2H"	56.04448
"1514297"	781.37759	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+IsoProp+H"	61.06479
"421282"	751.288988	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+Na+K"	61.952376
"780457"	1111.445388	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+Na+K"	61.952376
"1674600"	391.132588	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Na+K"	61.952376
"265133"	1504.641368	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+ACN+Na"	64.015768
"1236017"	784.328568	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+ACN+Na"	64.015768
"1727090"	784.352093	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+NH4+HCOOH"	64.039293
"1192935"	263.093484666667	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+3Na"	68.967654
"1664043"	789.307488	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Na+HCOOH"	68.994688
"172237"	1517.54464	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+2K-H"	76.91904
"610946"	2237.85744	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+2K-H"	76.91904
"1099348"	797.23184	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2K-H"	76.91904
"156163"	759.275958	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"2M+2K"	77.926316
"595117"	1119.432358	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"3M+2K"	77.926316
"1081816"	399.119558	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2K"	77.926316
"1112838"	799.246392	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2K+H"	78.933592
"1350199"	799.334007	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+DMSO+H"	79.021207
"1019577"	803.373176	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2ACN+H"	83.060376
"1538920"	804.366808	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+IsoProp+Na+H"	84.054008
"1002327"	402.190226	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+2ACN+2H"	84.067652
"1593551"	805.281428	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+K+HCOOH"	84.968628
"1426865"	835.312938	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+H+CF3COOH"	115.000138
"1153874"	422.703501	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+3ACN+2H"	125.094202
"1708894"	852.339485	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+NH4+CF3COOH"	132.026685
"1648918"	857.29488	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+Na+CF3COOH"	136.98208
"1585659"	873.26882	"C07240"	"Ritonavir"	"C37H48N6O5S2"	"720.3128"	"M+K+CF3COOH"	152.95602
"814931"	415.2723	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M"	0
"979718"	396.25391	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-H2O-H"	-19.01839
"67959"	275.840924	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M-3H"	-3.021828
"507520"	414.265024	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M-3H"	-3.021828
"880945"	137.416824	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-3H"	-3.021828
"2071"	414.265024	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M-2H"	-2.014552
"440160"	621.901174	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M-2H"	-2.014552
"817976"	206.628874	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-2H"	-2.014552
"84536"	829.537324	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M-H"	-1.007276
"532605"	1244.809624	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M-H"	-1.007276
"907369"	414.265024	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-H"	-1.007276
"55182"	846.563871	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M-2H+NH4"	16.019271
"488301"	1261.836171	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M-2H+NH4"	16.019271
"867077"	431.291571	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-2H+NH4"	16.019271
"39353"	851.519266	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M-2H+Na"	20.974666
"473810"	1266.791566	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M-2H+Na"	20.974666
"857809"	436.246966	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-2H+Na"	20.974666
"1628436"	436.246966	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Na-2H"	20.974666
"106060"	432.253363	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M-H+Cl"	33.962126
"536873"	639.889513	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M-H+Cl"	33.962126
"928201"	224.617213	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-H+Cl"	33.962126
"272224"	865.514002	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+Cl"	34.969402
"664649"	1280.786302	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+Cl"	34.969402
"1275227"	450.241702	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Cl"	34.969402
"17051"	867.493206	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M-2H+K"	36.948606
"456079"	1282.765506	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M-2H+K"	36.948606
"832803"	452.220906	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-2H+K"	36.948606
"1556162"	452.220906	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+K-2H"	36.948606
"945061"	460.270494	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-H+HCOOH"	44.998194
"366557"	875.542801	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+HCOOH-H"	44.998201
"347888"	889.558451	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+Hac-H"	59.013851
"1492752"	474.286151	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Hac-H"	59.013851
"958541"	482.252451	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-H+NaCOOH"	66.980151
"110140"	450.241702	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+2Cl"	69.938804
"553462"	657.877852	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+2Cl"	69.938804
"1022990"	242.605552	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2Cl"	69.938804
"1252414"	494.191185	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Br"	78.918885
"1309392"	496.247172	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Cl+HCOOH"	80.974872
"1322150"	518.229129	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Cl+NaCOOH"	102.956829
"912479"	528.257886	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M-H+CF3COOH"	112.985586
"1288937"	564.234564	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Cl+CF3COOH"	148.962264
"1367466"	380.259624	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H-2H2O"	-35.012676
"1389226"	398.2696	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H-H2O"	-17.0027
"286726"	831.551876	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+H"	1.007276
"676713"	1246.824176	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+H"	1.007276
"1351846"	416.279576	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H"	1.007276
"126918"	416.279576	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+2H"	2.014552
"567575"	623.915726	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+2H"	2.014552
"1038937"	208.643426	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2H"	2.014552
"205376"	277.855476	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+3H"	3.021828
"646027"	416.279576	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+3H"	3.021828
"1167802"	139.431376	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+3H"	3.021828
"425241"	848.578423	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+NH4"	18.033823
"786236"	1263.850723	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+NH4"	18.033823
"1690598"	433.306123	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+NH4"	18.033823
"337780"	424.7928495	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+H+NH4"	19.041099
"731292"	632.4289995	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+H+NH4"	19.041099
"1487296"	217.1566995	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H+NH4"	19.041099
"397228"	853.533818	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+Na"	22.989218
"758222"	1268.806118	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+Na"	22.989218
"1610698"	438.261518	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Na"	22.989218
"322923"	427.270547	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+H+Na"	23.996494
"722162"	634.906697	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+H+Na"	23.996494
"1475380"	219.634397	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H+Na"	23.996494
"1065709"	146.75869	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2H+Na"	25.00377
"1267388"	448.305786	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+CH3OH+H"	33.033486
"387055"	869.507758	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+K"	38.963158
"746957"	1284.780058	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+K"	38.963158
"1551195"	454.235458	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+K"	38.963158
"309465"	435.257517	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+H+K"	39.970434
"701887"	642.893667	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+H+K"	39.970434
"1456799"	227.621367	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H+K"	39.970434
"246492"	872.578426	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+ACN+H"	42.033826
"1221388"	457.306126	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+ACN+H"	42.033826
"1204176"	229.156701	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+ACN+2H"	43.041102
"199233"	875.51576	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+2Na-H"	44.97116
"631503"	1290.78806	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+2Na-H"	44.97116
"1137931"	460.24346	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2Na-H"	44.97116
"175753"	438.261518	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+2Na"	45.978436
"614585"	645.897668	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+2Na"	45.978436
"1120280"	230.625368	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2Na"	45.978436
"1408910"	154.086004	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H+2Na"	46.985712
"1437744"	462.285046	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H+HCOOH"	47.012746
"230721"	443.29454	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+3H2O+2H"	56.04448
"1511127"	476.33709	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+IsoProp+H"	61.06479
"420661"	446.248488	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+Na+K"	61.952376
"782754"	653.884638	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+Na+K"	61.952376
"1675802"	238.612338	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Na+K"	61.952376
"260138"	894.560368	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+ACN+Na"	64.015768
"1233940"	479.288068	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+ACN+Na"	64.015768
"1722825"	479.311593	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+NH4+HCOOH"	64.039293
"1193648"	161.413318	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+3Na"	68.967654
"1664881"	484.266988	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Na+HCOOH"	68.994688
"170403"	907.46364	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+2K-H"	76.91904
"611056"	1322.73594	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+2K-H"	76.91904
"1097755"	492.19134	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2K-H"	76.91904
"155664"	454.235458	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"2M+2K"	77.926316
"594134"	661.871608	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"3M+2K"	77.926316
"1082898"	246.599308	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2K"	77.926316
"1111855"	494.205892	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2K+H"	78.933592
"1351297"	494.293507	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+DMSO+H"	79.021207
"1019326"	498.332676	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2ACN+H"	83.060376
"1539776"	499.326308	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+IsoProp+Na+H"	84.054008
"1001344"	249.669976	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+2ACN+2H"	84.067652
"1594754"	500.240928	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+K+HCOOH"	84.968628
"1425882"	530.272438	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+H+CF3COOH"	115.000138
"1157265"	270.183251	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+3ACN+2H"	125.094202
"1709004"	547.298985	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+NH4+CF3COOH"	132.026685
"1649759"	552.25438	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+Na+CF3COOH"	136.98208
"1585769"	568.22832	"C07241"	"Salmeterol"	"C25H37NO4"	"415.2723"	"M+K+CF3COOH"	152.95602
"815406"	187.1361	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M"	0
"979828"	168.11771	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-H2O-H"	-19.01839
"68070"	123.750124	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M-3H"	-3.021828
"508723"	186.128824	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M-3H"	-3.021828
"880605"	61.371424	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-3H"	-3.021828
"1939"	186.128824	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M-2H"	-2.014552
"441373"	279.696874	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M-2H"	-2.014552
"818810"	92.560774	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-2H"	-2.014552
"84646"	373.264924	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M-H"	-1.007276
"531864"	560.401024	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M-H"	-1.007276
"900918"	186.128824	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-H"	-1.007276
"48000"	390.291471	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M-2H+NH4"	16.019271
"489136"	577.427571	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M-2H+NH4"	16.019271
"867187"	203.155371	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-2H+NH4"	16.019271
"39463"	395.246866	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M-2H+Na"	20.974666
"473556"	582.382966	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M-2H+Na"	20.974666
"857919"	208.110766	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-2H+Na"	20.974666
"1629640"	208.110766	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Na-2H"	20.974666
"106170"	204.117163	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M-H+Cl"	33.962126
"536983"	297.685213	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M-H+Cl"	33.962126
"927702"	110.549113	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-H+Cl"	33.962126
"267276"	409.241602	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+Cl"	34.969402
"664759"	596.377702	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+Cl"	34.969402
"1274973"	222.105502	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Cl"	34.969402
"18621"	411.220806	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M-2H+K"	36.948606
"456395"	598.356906	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M-2H+K"	36.948606
"832844"	224.084706	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-2H+K"	36.948606
"1559472"	224.084706	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+K-2H"	36.948606
"945171"	232.134294	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-H+HCOOH"	44.998194
"366667"	419.270401	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+HCOOH-H"	44.998201
"348729"	433.286051	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+Hac-H"	59.013851
"1495372"	246.149951	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Hac-H"	59.013851
"960725"	254.116251	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-H+NaCOOH"	66.980151
"110057"	222.105502	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+2Cl"	69.938804
"551013"	315.673552	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+2Cl"	69.938804
"1027839"	128.537452	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2Cl"	69.938804
"1253615"	266.054985	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Br"	78.918885
"1311689"	268.110972	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Cl+HCOOH"	80.974872
"1325542"	290.092929	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Cl+NaCOOH"	102.956829
"914777"	300.121686	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M-H+CF3COOH"	112.985586
"1288643"	336.098364	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Cl+CF3COOH"	148.962264
"1367575"	152.123424	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H-2H2O"	-35.012676
"1391524"	170.1334	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H-H2O"	-17.0027
"290118"	375.279476	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+H"	1.007276
"680352"	562.415576	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+H"	1.007276
"1353417"	188.143376	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H"	1.007276
"126541"	188.143376	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+2H"	2.014552
"566511"	281.711426	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+2H"	2.014552
"1040504"	94.575326	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2H"	2.014552
"211322"	125.764676	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+3H"	3.021828
"646870"	188.143376	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+3H"	3.021828
"1171193"	63.385976	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+3H"	3.021828
"425715"	392.306023	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+NH4"	18.033823
"793275"	579.442123	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+NH4"	18.033823
"1691801"	205.169923	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+NH4"	18.033823
"336797"	196.6566495	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+H+NH4"	19.041099
"732495"	290.2246995	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+H+NH4"	19.041099
"1486313"	103.0885995	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H+NH4"	19.041099
"398431"	397.261418	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+Na"	22.989218
"760520"	584.397518	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+Na"	22.989218
"1609713"	210.125318	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Na"	22.989218
"323034"	199.134347	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+H+Na"	23.996494
"721299"	292.702397	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+H+Na"	23.996494
"1474762"	105.566297	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H+Na"	23.996494
"1063633"	70.71329	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2H+Na"	25.00377
"1265311"	220.169586	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+CH3OH+H"	33.033486
"387166"	413.235358	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+K"	38.963158
"750345"	600.371458	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+K"	38.963158
"1550211"	226.099258	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+K"	38.963158
"309573"	207.121317	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+H+K"	39.970434
"705273"	300.689367	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+H+K"	39.970434
"1455816"	113.553267	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H+K"	39.970434
"244415"	416.306026	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+ACN+H"	42.033826
"1223320"	229.169926	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+ACN+H"	42.033826
"1207932"	115.088601	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+ACN+2H"	43.041102
"201530"	419.24336	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+2Na-H"	44.97116
"636716"	606.37946	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+2Na-H"	44.97116
"1138041"	232.10726	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2Na-H"	44.97116
"179143"	210.125318	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+2Na"	45.978436
"615789"	303.693368	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+2Na"	45.978436
"1118567"	116.557268	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2Na"	45.978436
"1401364"	78.040604	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H+2Na"	46.985712
"1434938"	234.148846	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H+HCOOH"	47.012746
"230833"	215.15834	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+3H2O+2H"	56.04448
"1516706"	248.20089	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+IsoProp+H"	61.06479
"420771"	218.112288	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+Na+K"	61.952376
"781768"	311.680338	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+Na+K"	61.952376
"1677005"	124.544238	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Na+K"	61.952376
"261342"	438.287968	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+ACN+Na"	64.015768
"1234050"	251.151868	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+ACN+Na"	64.015768
"1722935"	251.175393	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+NH4+HCOOH"	64.039293
"1193394"	85.367918	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+3Na"	68.967654
"1663290"	256.130788	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Na+HCOOH"	68.994688
"171608"	451.19124	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+2K-H"	76.91904
"610075"	638.32734	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+2K-H"	76.91904
"1097866"	264.05514	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2K-H"	76.91904
"154438"	226.099258	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"2M+2K"	77.926316
"594975"	319.667308	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"3M+2K"	77.926316
"1083008"	132.531208	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2K"	77.926316
"1114154"	266.069692	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2K+H"	78.933592
"1348719"	266.157307	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+DMSO+H"	79.021207
"1018706"	270.196476	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2ACN+H"	83.060376
"1537805"	271.190108	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+IsoProp+Na+H"	84.054008
"1003639"	135.601876	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+2ACN+2H"	84.067652
"1589397"	272.104728	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+K+HCOOH"	84.968628
"1425992"	302.136238	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+H+CF3COOH"	115.000138
"1158465"	156.115151	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+3ACN+2H"	125.094202
"1708020"	319.162785	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+NH4+CF3COOH"	132.026685
"1649503"	324.11818	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+Na+CF3COOH"	136.98208
"1585879"	340.09212	"C07245"	"Selegiline"	"C13H17N"	"187.1361"	"M+K+CF3COOH"	152.95602
"815880"	305.0738	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M"	0
"985406"	286.05541	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-H2O-H"	-19.01839
"72555"	202.375257333333	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M-3H"	-3.021828
"513207"	304.066524	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M-3H"	-3.021828
"888824"	100.683990666667	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-3H"	-3.021828
"5210"	304.066524	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M-2H"	-2.014552
"440756"	456.603424	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M-2H"	-2.014552
"817951"	151.529624	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-2H"	-2.014552
"92414"	609.140324	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M-H"	-1.007276
"532703"	914.214124	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M-H"	-1.007276
"904308"	304.066524	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-H"	-1.007276
"56495"	626.166871	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M-2H+NH4"	16.019271
"497149"	931.240671	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M-2H+NH4"	16.019271
"868391"	321.093071	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-2H+NH4"	16.019271
"45042"	631.122266	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M-2H+Na"	20.974666
"476947"	936.196066	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M-2H+Na"	20.974666
"858029"	326.048466	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-2H+Na"	20.974666
"1630843"	326.048466	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Na-2H"	20.974666
"107375"	322.054863	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M-H+Cl"	33.962126
"542561"	474.591763	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M-H+Cl"	33.962126
"933890"	169.517963	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-H+Cl"	33.962126
"277914"	645.117002	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+Cl"	34.969402
"670337"	950.190802	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+Cl"	34.969402
"1278366"	340.043202	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Cl"	34.969402
"17638"	647.096206	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M-2H+K"	36.948606
"457561"	952.170006	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M-2H+K"	36.948606
"836094"	342.022406	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-2H+K"	36.948606
"1559582"	342.022406	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+K-2H"	36.948606
"949656"	350.071994	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-H+HCOOH"	44.998194
"366777"	655.145801	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+HCOOH-H"	44.998201
"352849"	669.161451	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+Hac-H"	59.013851
"1495118"	364.087651	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Hac-H"	59.013851
"960836"	372.053951	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-H+NaCOOH"	66.980151
"112291"	340.043202	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+2Cl"	69.938804
"553679"	492.580102	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+2Cl"	69.938804
"1026854"	187.506302	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2Cl"	69.938804
"1248257"	383.992685	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Br"	78.918885
"1305600"	386.048672	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Cl+HCOOH"	80.974872
"1325287"	408.030629	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Cl+NaCOOH"	102.956829
"912210"	418.059386	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M-H+CF3COOH"	112.985586
"1289407"	454.036064	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Cl+CF3COOH"	148.962264
"1367362"	270.061124	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H-2H2O"	-35.012676
"1391634"	288.0711	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H-H2O"	-17.0027
"288407"	611.154876	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+H"	1.007276
"679369"	916.228676	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+H"	1.007276
"1353527"	306.081076	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H"	1.007276
"126531"	306.081076	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+2H"	2.014552
"565971"	458.617976	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+2H"	2.014552
"1041707"	153.544176	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2H"	2.014552
"212525"	204.389809333333	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+3H"	3.021828
"644548"	306.081076	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+3H"	3.021828
"1171303"	102.698542666667	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+3H"	3.021828
"425218"	628.181423	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+NH4"	18.033823
"786945"	933.255223	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+NH4"	18.033823
"1694826"	323.107623	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+NH4"	18.033823
"340186"	314.5943495	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+H+NH4"	19.041099
"734791"	467.1312495	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+H+NH4"	19.041099
"1486423"	162.0574495	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H+NH4"	19.041099
"398541"	633.136818	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+Na"	22.989218
"759535"	938.210618	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+Na"	22.989218
"1610916"	328.063018	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Na"	22.989218
"317671"	317.072047	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+H+Na"	23.996494
"722465"	469.608947	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+H+Na"	23.996494
"1465392"	164.535147	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H+Na"	23.996494
"1060461"	110.025856666667	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2H+Na"	25.00377
"1265421"	338.107286	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+CH3OH+H"	33.033486
"383996"	649.110758	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+K"	38.963158
"750455"	954.184558	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+K"	38.963158
"1553601"	344.036958	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+K"	38.963158
"311868"	325.059017	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+H+K"	39.970434
"706112"	477.595917	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+H+K"	39.970434
"1459207"	172.522117	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H+K"	39.970434
"249875"	652.181426	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+ACN+H"	42.033826
"1224648"	347.107626	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+ACN+H"	42.033826
"1209016"	174.057451	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+ACN+2H"	43.041102
"202734"	655.11876	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+2Na-H"	44.97116
"637920"	960.19256	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+2Na-H"	44.97116
"1139244"	350.04496	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2Na-H"	44.97116
"175244"	328.063018	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+2Na"	45.978436
"614076"	480.599918	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+2Na"	45.978436
"1118677"	175.526118	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2Na"	45.978436
"1402567"	117.353170666667	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H+2Na"	46.985712
"1436141"	352.086546	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H+HCOOH"	47.012746
"225476"	333.09604	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+3H2O+2H"	56.04448
"1513536"	366.13859	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+IsoProp+H"	61.06479
"423677"	336.049988	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+Na+K"	61.952376
"780784"	488.586888	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+Na+K"	61.952376
"1679302"	183.513088	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Na+K"	61.952376
"261452"	674.163368	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+ACN+Na"	64.015768
"1237808"	369.089568	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+ACN+Na"	64.015768
"1726328"	369.113093	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+NH4+HCOOH"	64.039293
"1191685"	124.680484666667	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+3Na"	68.967654
"1659758"	374.068488	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Na+HCOOH"	68.994688
"169534"	687.06664	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+2K-H"	76.91904
"609093"	992.14044	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+2K-H"	76.91904
"1097978"	381.99284	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2K-H"	76.91904
"155399"	344.036958	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"2M+2K"	77.926316
"594718"	496.573858	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"3M+2K"	77.926316
"1079233"	191.500058	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2K"	77.926316
"1110984"	384.007392	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2K+H"	78.933592
"1348827"	384.095007	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+DMSO+H"	79.021207
"1015538"	388.134176	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2ACN+H"	83.060376
"1535847"	389.127808	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+IsoProp+Na+H"	84.054008
"1002657"	194.570726	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+2ACN+2H"	84.067652
"1590602"	390.042428	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+K+HCOOH"	84.968628
"1421728"	420.073938	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+H+CF3COOH"	115.000138
"1159670"	215.084001	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+3ACN+2H"	125.094202
"1710314"	437.100485	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+NH4+CF3COOH"	132.026685
"1649613"	442.05588	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+Na+CF3COOH"	136.98208
"1585989"	458.02982	"C07246"	"Sertraline"	"C17H17Cl2N"	"305.0738"	"M+K+CF3COOH"	152.95602
"815990"	279.1754	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M"	0
"986609"	260.15701	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-H2O-H"	-19.01839
"72664"	185.109657333333	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M-3H"	-3.021828
"510037"	278.168124	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M-3H"	-3.021828
"888934"	92.0511906666667	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-3H"	-3.021828
"5320"	278.168124	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M-2H"	-2.014552
"439999"	417.755824	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M-2H"	-2.014552
"817179"	138.580424	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-2H"	-2.014552
"91794"	557.343524	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M-H"	-1.007276
"531720"	836.518924	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M-H"	-1.007276
"904418"	278.168124	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-H"	-1.007276
"56605"	574.370071	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M-2H+NH4"	16.019271
"493979"	853.545471	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M-2H+NH4"	16.019271
"868501"	295.194671	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-2H+NH4"	16.019271
"45152"	579.325466	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M-2H+Na"	20.974666
"477057"	858.500866	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M-2H+Na"	20.974666
"854859"	300.150066	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-2H+Na"	20.974666
"1628766"	300.150066	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Na-2H"	20.974666
"103111"	296.156463	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M-H+Cl"	33.962126
"540485"	435.744163	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M-H+Cl"	33.962126
"934000"	156.568763	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-H+Cl"	33.962126
"276931"	593.320202	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+Cl"	34.969402
"669354"	872.495602	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+Cl"	34.969402
"1279569"	314.144802	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Cl"	34.969402
"16410"	595.299406	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M-2H+K"	36.948606
"456698"	874.474806	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M-2H+K"	36.948606
"837297"	316.124006	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-2H+K"	36.948606
"1558599"	316.124006	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+K-2H"	36.948606
"950859"	324.173594	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-H+HCOOH"	44.998194
"367980"	603.349001	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+HCOOH-H"	44.998201
"355145"	617.364651	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+Hac-H"	59.013851
"1496321"	338.189251	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Hac-H"	59.013851
"961675"	346.155551	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-H+NaCOOH"	66.980151
"110945"	314.144802	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+2Cl"	69.938804
"554518"	453.732502	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+2Cl"	69.938804
"1024411"	174.557102	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2Cl"	69.938804
"1245083"	358.094285	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Br"	78.918885
"1305710"	360.150272	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Cl+HCOOH"	80.974872
"1326126"	382.132229	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Cl+NaCOOH"	102.956829
"912443"	392.160986	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M-H+CF3COOH"	112.985586
"1290246"	428.137664	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Cl+CF3COOH"	148.962264
"1368406"	244.162724	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H-2H2O"	-35.012676
"1393566"	262.1727	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H-H2O"	-17.0027
"290704"	559.358076	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+H"	1.007276
"680572"	838.533476	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+H"	1.007276
"1353273"	280.182676	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H"	1.007276
"126277"	280.182676	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+2H"	2.014552
"565749"	419.770376	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+2H"	2.014552
"1041453"	140.594976	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2H"	2.014552
"213728"	187.124209333333	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+3H"	3.021828
"644496"	280.182676	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+3H"	3.021828
"1170320"	94.0657426666667	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+3H"	3.021828
"425203"	576.384623	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+NH4"	18.033823
"786082"	855.560023	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+NH4"	18.033823
"1694572"	297.209223	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+NH4"	18.033823
"340296"	288.6959495	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+H+NH4"	19.041099
"732714"	428.2836495	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+H+NH4"	19.041099
"1486533"	149.1082495	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H+NH4"	19.041099
"397558"	581.340018	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+Na"	22.989218
"757459"	860.515418	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+Na"	22.989218
"1603371"	302.164618	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Na"	22.989218
"314743"	291.173647	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+H+Na"	23.996494
"722339"	430.761347	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+H+Na"	23.996494
"1476071"	151.585947	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H+Na"	23.996494
"1067133"	101.393056666667	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2H+Na"	25.00377
"1263344"	312.208886	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+CH3OH+H"	33.033486
"383013"	597.313958	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+K"	38.963158
"748380"	876.489358	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+K"	38.963158
"1552619"	318.138558	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+K"	38.963158
"310885"	299.160617	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+H+K"	39.970434
"705493"	438.748317	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+H+K"	39.970434
"1459317"	159.572917	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H+K"	39.970434
"247919"	600.384626	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+ACN+H"	42.033826
"1222083"	321.209226	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+ACN+H"	42.033826
"1207062"	161.108251	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+ACN+2H"	43.041102
"202480"	603.32196	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+2Na-H"	44.97116
"638030"	882.49736	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+2Na-H"	44.97116
"1137533"	324.14656	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2Na-H"	44.97116
"182645"	302.164618	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+2Na"	45.978436
"618196"	441.752318	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+2Na"	45.978436
"1122067"	162.576918	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2Na"	45.978436
"1403041"	108.720370666667	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H+2Na"	46.985712
"1438074"	326.188146	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H+HCOOH"	47.012746
"228864"	307.19764	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+3H2O+2H"	56.04448
"1512550"	340.24019	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+IsoProp+H"	61.06479
"422815"	310.151588	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+Na+K"	61.952376
"780894"	449.739288	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+Na+K"	61.952376
"1677225"	170.563888	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Na+K"	61.952376
"262654"	622.366568	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+ACN+Na"	64.015768
"1239011"	343.191168	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+ACN+Na"	64.015768
"1726801"	343.214693	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+NH4+HCOOH"	64.039293
"1192525"	116.047684666667	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+3Na"	68.967654
"1659141"	348.170088	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Na+HCOOH"	68.994688
"169641"	635.26984	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+2K-H"	76.91904
"610296"	914.44524	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+2K-H"	76.91904
"1098087"	356.09444	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2K-H"	76.91904
"153807"	318.138558	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"2M+2K"	77.926316
"594830"	457.726258	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"3M+2K"	77.926316
"1082258"	178.550858	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2K"	77.926316
"1114133"	358.108992	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2K+H"	78.933592
"1349301"	358.196607	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+DMSO+H"	79.021207
"1019897"	362.235776	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2ACN+H"	83.060376
"1535227"	363.229408	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+IsoProp+Na+H"	84.054008
"1000581"	181.621526	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+2ACN+2H"	84.067652
"1590712"	364.144028	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+K+HCOOH"	84.968628
"1421838"	394.175538	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+H+CF3COOH"	115.000138
"1158687"	202.134801	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+3ACN+2H"	125.094202
"1710424"	411.202085	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+NH4+CF3COOH"	132.026685
"1649723"	416.15748	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+Na+CF3COOH"	136.98208
"1586099"	432.13142	"C07247"	"Sibutramine"	"C17H26ClN"	"279.1754"	"M+K+CF3COOH"	152.95602
"815736"	414.1249	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M"	0
"985626"	395.10651	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-H2O-H"	-19.01839
"72774"	275.075990666667	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M-3H"	-3.021828
"510147"	413.117624	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M-3H"	-3.021828
"884670"	137.034357333333	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-3H"	-3.021828
"3243"	413.117624	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M-2H"	-2.014552
"440129"	620.180074	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M-2H"	-2.014552
"817232"	206.055174	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-2H"	-2.014552
"88257"	827.242524	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M-H"	-1.007276
"528914"	1241.367424	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M-H"	-1.007276
"903434"	413.117624	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-H"	-1.007276
"47291"	844.269071	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M-2H+NH4"	16.019271
"490808"	1258.393971	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M-2H+NH4"	16.019271
"868610"	430.144171	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-2H+NH4"	16.019271
"43805"	849.224466	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M-2H+Na"	20.974666
"477167"	1263.349366	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M-2H+Na"	20.974666
"851689"	435.099566	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-2H+Na"	20.974666
"1625595"	435.099566	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Na-2H"	20.974666
"103221"	431.105963	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M-H+Cl"	33.962126
"539500"	638.168413	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M-H+Cl"	33.962126
"934110"	224.043513	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-H+Cl"	33.962126
"277041"	863.219202	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+Cl"	34.969402
"668371"	1277.344102	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+Cl"	34.969402
"1278586"	449.094302	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Cl"	34.969402
"16194"	865.198406	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M-2H+K"	36.948606
"456564"	1279.323306	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M-2H+K"	36.948606
"836314"	451.073506	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-2H+K"	36.948606
"1557616"	451.073506	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+K-2H"	36.948606
"949876"	459.123094	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-H+HCOOH"	44.998194
"368090"	873.248001	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+HCOOH-H"	44.998201
"355255"	887.263651	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+Hac-H"	59.013851
"1496431"	473.138751	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Hac-H"	59.013851
"960692"	481.105051	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-H+NaCOOH"	66.980151
"111419"	449.094302	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+2Cl"	69.938804
"554628"	656.156752	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+2Cl"	69.938804
"1023793"	242.031852	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2Cl"	69.938804
"1245559"	493.043785	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Br"	78.918885
"1306549"	495.099772	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Cl+HCOOH"	80.974872
"1324413"	517.081729	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Cl+NaCOOH"	102.956829
"913281"	527.110486	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M-H+CF3COOH"	112.985586
"1290720"	563.087164	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Cl+CF3COOH"	148.962264
"1367785"	379.112224	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H-2H2O"	-35.012676
"1392947"	397.1222	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H-H2O"	-17.0027
"289357"	829.257076	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+H"	1.007276
"680682"	1243.381976	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+H"	1.007276
"1351923"	415.132176	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H"	1.007276
"125901"	415.132176	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+2H"	2.014552
"566347"	622.194626	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+2H"	2.014552
"1039377"	208.069726	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2H"	2.014552
"212381"	277.090542666667	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+3H"	3.021828
"644403"	415.132176	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+3H"	3.021828
"1167151"	139.048909333333	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+3H"	3.021828
"424420"	846.283623	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+NH4"	18.033823
"785822"	1260.408523	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+NH4"	18.033823
"1693954"	432.158723	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+NH4"	18.033823
"340405"	423.6454495	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+H+NH4"	19.041099
"732824"	630.7078995	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+H+NH4"	19.041099
"1484457"	216.5829995	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H+NH4"	19.041099
"396575"	851.239018	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+Na"	22.989218
"756476"	1265.363918	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+Na"	22.989218
"1603602"	437.114118	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Na"	22.989218
"315460"	426.123147	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+H+Na"	23.996494
"722790"	633.185597	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+H+Na"	23.996494
"1475817"	219.060697	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H+Na"	23.996494
"1067975"	146.376223333333	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2H+Na"	25.00377
"1266733"	447.158386	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+CH3OH+H"	33.033486
"384216"	867.212958	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+K"	38.963158
"747398"	1281.337858	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+K"	38.963158
"1552728"	453.088058	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+K"	38.963158
"310996"	434.110117	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+H+K"	39.970434
"704146"	641.172567	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+H+K"	39.970434
"1457240"	227.047667	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H+K"	39.970434
"248029"	870.283626	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+ACN+H"	42.033826
"1222558"	456.158726	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+ACN+H"	42.033826
"1206807"	228.583001	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+ACN+2H"	43.041102
"202226"	873.22096	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+2Na-H"	44.97116
"638140"	1287.34586	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+2Na-H"	44.97116
"1135455"	459.09606	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2Na-H"	44.97116
"182754"	437.114118	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+2Na"	45.978436
"615390"	644.176568	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+2Na"	45.978436
"1117803"	230.051668	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2Na"	45.978436
"1403151"	153.703537333333	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H+2Na"	46.985712
"1435630"	461.137646	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H+HCOOH"	47.012746
"224235"	442.14714	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+3H2O+2H"	56.04448
"1512295"	475.18969	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+IsoProp+H"	61.06479
"420009"	445.101088	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+Na+K"	61.952376
"781004"	652.163538	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+Na+K"	61.952376
"1674055"	238.038638	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Na+K"	61.952376
"259485"	892.265568	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+ACN+Na"	64.015768
"1237661"	478.140668	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+ACN+Na"	64.015768
"1724360"	478.164193	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+NH4+HCOOH"	64.039293
"1192995"	161.030851333333	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+3Na"	68.967654
"1659979"	483.119588	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Na+HCOOH"	68.994688
"170479"	905.16884	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+2K-H"	76.91904
"609311"	1319.29374	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+2K-H"	76.91904
"1098074"	491.04394	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2K-H"	76.91904
"153917"	453.088058	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"2M+2K"	77.926316
"596150"	660.150508	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"3M+2K"	77.926316
"1080180"	246.025608	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2K"	77.926316
"1112661"	493.058492	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2K+H"	78.933592
"1350140"	493.146107	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+DMSO+H"	79.021207
"1018304"	497.185276	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2ACN+H"	83.060376
"1534244"	498.178908	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+IsoProp+Na+H"	84.054008
"1000691"	249.096276	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+2ACN+2H"	84.067652
"1590822"	499.093528	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+K+HCOOH"	84.968628
"1421948"	529.125038	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+H+CF3COOH"	115.000138
"1158797"	269.609551	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+3ACN+2H"	125.094202
"1710534"	546.151585	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+NH4+CF3COOH"	132.026685
"1649591"	551.10698	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+Na+CF3COOH"	136.98208
"1586209"	567.08092	"C07250"	"Nafcillin"	"C21H22N2O5S"	"414.1249"	"M+K+CF3COOH"	152.95602
"816453"	357.194	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M"	0
"988655"	338.17561	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-H2O-H"	-19.01839
"71792"	237.122057333333	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M-3H"	-3.021828
"512445"	356.186724	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M-3H"	-3.021828
"886967"	118.057390666667	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-3H"	-3.021828
"5540"	356.186724	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M-2H"	-2.014552
"440475"	534.783724	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M-2H"	-2.014552
"821809"	177.589724	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-2H"	-2.014552
"88367"	713.380724	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M-H"	-1.007276
"529024"	1070.574724	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M-H"	-1.007276
"900264"	356.186724	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-H"	-1.007276
"47467"	730.407271	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M-2H+NH4"	16.019271
"487879"	1087.601271	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M-2H+NH4"	16.019271
"868720"	373.213271	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-2H+NH4"	16.019271
"43186"	735.362666	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M-2H+Na"	20.974666
"477277"	1092.556666	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M-2H+Na"	20.974666
"851799"	378.168666	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-2H+Na"	20.974666
"1625705"	378.168666	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Na-2H"	20.974666
"98957"	374.175063	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M-H+Cl"	33.962126
"539610"	552.772063	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M-H+Cl"	33.962126
"930939"	195.578063	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-H+Cl"	33.962126
"276058"	749.357402	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+Cl"	34.969402
"664108"	1106.551402	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+Cl"	34.969402
"1278696"	392.163402	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Cl"	34.969402
"20155"	751.336606	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M-2H+K"	36.948606
"457527"	1108.530606	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M-2H+K"	36.948606
"834599"	394.142606	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-2H+K"	36.948606
"1558089"	394.142606	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+K-2H"	36.948606
"948892"	402.192194	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-H+HCOOH"	44.998194
"363459"	759.386201	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+HCOOH-H"	44.998201
"350988"	773.401851	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+Hac-H"	59.013851
"1498726"	416.207851	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Hac-H"	59.013851
"960069"	424.174151	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-H+NaCOOH"	66.980151
"111893"	392.163402	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+2Cl"	69.938804
"553645"	570.760402	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+2Cl"	69.938804
"1023539"	213.566402	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2Cl"	69.938804
"1244576"	436.112885	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Br"	78.918885
"1305202"	438.168872	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Cl+HCOOH"	80.974872
"1322335"	460.150829	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Cl+NaCOOH"	102.956829
"913029"	470.179586	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M-H+CF3COOH"	112.985586
"1289374"	506.156264	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Cl+CF3COOH"	148.962264
"1367897"	322.181324	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H-2H2O"	-35.012676
"1390870"	340.1913	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H-H2O"	-17.0027
"291289"	715.395276	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+H"	1.007276
"678605"	1072.589276	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+H"	1.007276
"1352761"	358.201276	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H"	1.007276
"126985"	358.201276	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+2H"	2.014552
"566423"	536.798276	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+2H"	2.014552
"1042767"	179.604276	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2H"	2.014552
"213220"	239.136609333333	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+3H"	3.021828
"644348"	358.201276	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+3H"	3.021828
"1163365"	120.071942666667	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+3H"	3.021828
"424938"	732.421823	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+NH4"	18.033823
"786785"	1089.615823	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+NH4"	18.033823
"1687860"	375.227823	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+NH4"	18.033823
"337232"	366.7145495	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+H+NH4"	19.041099
"730748"	545.3115495	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+H+NH4"	19.041099
"1486754"	188.1175495	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H+NH4"	19.041099
"399967"	737.377218	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+Na"	22.989218
"765336"	1094.571218	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+Na"	22.989218
"1614528"	380.183218	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Na"	22.989218
"320190"	369.192247	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+H+Na"	23.996494
"722596"	547.789247	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+H+Na"	23.996494
"1475200"	190.595247	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H+Na"	23.996494
"1067234"	127.399256666667	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2H+Na"	25.00377
"1266843"	390.227486	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+CH3OH+H"	33.033486
"388699"	753.351158	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+K"	38.963158
"750788"	1110.545158	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+K"	38.963158
"1552841"	396.157158	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+K"	38.963158
"312930"	377.179217	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+H+K"	39.970434
"703527"	555.776217	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+H+K"	39.970434
"1455164"	198.582217	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H+K"	39.970434
"244859"	756.421826	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+ACN+H"	42.033826
"1221939"	399.227826	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+ACN+H"	42.033826
"1204367"	200.117551	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+ACN+2H"	43.041102
"201247"	759.35916	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+2Na-H"	44.97116
"640805"	1116.55316	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+2Na-H"	44.97116
"1134472"	402.16516	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2Na-H"	44.97116
"182864"	380.183218	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+2Na"	45.978436
"614526"	558.780218	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+2Na"	45.978436
"1117913"	201.586218	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2Na"	45.978436
"1403263"	134.726570666667	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H+2Na"	46.985712
"1432460"	404.206746	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H+HCOOH"	47.012746
"226897"	385.21624	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+3H2O+2H"	56.04448
"1510583"	418.25879	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+IsoProp+H"	61.06479
"420120"	388.170188	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+Na+K"	61.952376
"780021"	566.767188	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+Na+K"	61.952376
"1674165"	209.573188	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Na+K"	61.952376
"262872"	778.403768	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+ACN+Na"	64.015768
"1233396"	421.209768	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+ACN+Na"	64.015768
"1724469"	421.233293	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+NH4+HCOOH"	64.039293
"1192377"	142.053884666667	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+3Na"	68.967654
"1660089"	426.188688	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Na+HCOOH"	68.994688
"169496"	791.30704	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+2K-H"	76.91904
"608693"	1148.50104	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+2K-H"	76.91904
"1097091"	434.11304	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2K-H"	76.91904
"155972"	396.157158	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"2M+2K"	77.926316
"593586"	574.754158	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"3M+2K"	77.926316
"1082475"	217.560158	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2K"	77.926316
"1113503"	436.127592	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2K+H"	78.933592
"1349517"	436.215207	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+DMSO+H"	79.021207
"1018416"	440.254376	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2ACN+H"	83.060376
"1534353"	441.248008	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+IsoProp+Na+H"	84.054008
"1004081"	220.630826	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+2ACN+2H"	84.067652
"1595304"	442.162628	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+K+HCOOH"	84.968628
"1428616"	472.194138	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+H+CF3COOH"	115.000138
"1162186"	241.144101	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+3ACN+2H"	125.094202
"1709551"	489.220685	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+NH4+CF3COOH"	132.026685
"1649702"	494.17608	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+Na+CF3COOH"	136.98208
"1586319"	510.15002	"C07251"	"Nalbuphine"	"C21H27NO4"	"357.194"	"M+K+CF3COOH"	152.95602
"816483"	327.1471	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M"	0
"987306"	308.12871	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"66435"	217.090790666667	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"507088"	326.139824	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"883797"	108.041757333333	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"7837"	326.139824	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"441927"	489.713374	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"820096"	162.566274	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"80447"	653.286924	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"519406"	980.434024	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"901467"	326.139824	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"51467"	670.313471	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"492119"	997.460571	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"868830"	343.166371	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"43295"	675.268866	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"476294"	1002.415966	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"855189"	348.121766	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1625815"	348.121766	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"102348"	344.128163	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"539719"	507.701713	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"934330"	180.554613	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"273981"	689.263602	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"664580"	1016.410702	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1274796"	362.116502	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"20265"	691.242806	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"457757"	1018.389906	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"835439"	364.095706	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1558564"	364.095706	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"946452"	372.145294	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"363933"	699.292401	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"350006"	713.308051	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1497014"	386.160951	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"962366"	394.127251	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"111516"	362.116502	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"554119"	525.690052	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1023285"	198.542952	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1242497"	406.065985	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1307134"	408.121972	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1322079"	430.103929	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"915324"	440.132686	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1291307"	476.109364	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1369464"	292.134424	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1393167"	310.1444	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"295044"	655.301476	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"681995"	982.448576	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1352871"	328.154376	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"128678"	328.154376	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"565922"	491.727926	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1041784"	164.580826	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"205674"	219.105342666667	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"644745"	328.154376	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1164450"	110.056309333333	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"426628"	672.328023	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"786649"	999.475123	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1682499"	345.180923	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"335155"	336.6676495	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"723564"	500.2411995	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1477623"	173.0940995	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"396795"	677.283418	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"754749"	1004.430518	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1609170"	350.136318	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"318113"	339.145347	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"721484"	502.718897	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1475310"	175.571797	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1065277"	117.383623333333	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1264766"	360.180586	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"388809"	693.257358	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"749804"	1020.404458	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1550763"	366.110258	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"312311"	347.132317	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"703638"	510.705867	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1455274"	183.558767	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"246062"	696.328026	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1221321"	369.180926	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1208122"	185.094101	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"202937"	699.26536	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"641643"	1026.41246	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1136403"	372.11826	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"182246"	350.136318	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"615973"	513.709868	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1118023"	186.562768	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1404830"	124.710937333333	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1433663"	374.159846	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"227007"	355.16934	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1510450"	388.21189	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"420230"	358.123288	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"776851"	521.696838	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1671359"	194.549738	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"259702"	718.309968	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1233141"	391.162868	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1718382"	391.186393	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1189570"	132.038251333333	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1656914"	396.141788	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"164502"	731.21324	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"604064"	1058.36034	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1094042"	404.06614	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"155594"	366.110258	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"592602"	529.683808	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1081127"	202.536708	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1111424"	406.080692	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1347807"	406.168307	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1015246"	410.207476	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1535924"	411.201108	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"998725"	205.607376	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1594321"	412.115728	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1425446"	442.147238	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1161203"	226.120651	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1707474"	459.173785	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1648592"	464.12918	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1586429"	480.10312	"C07252"	"Naloxone"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"816714"	341.1627	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M"	0
"987780"	322.14431	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-H2O-H"	-19.01839
"72012"	226.434524	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M-3H"	-3.021828
"510478"	340.155424	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M-3H"	-3.021828
"889374"	112.713624	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-3H"	-3.021828
"14387"	340.155424	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M-2H"	-2.014552
"441308"	510.736774	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M-2H"	-2.014552
"822029"	169.574074	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-2H"	-2.014552
"80195"	681.318124	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M-H"	-1.007276
"521582"	1022.480824	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M-H"	-1.007276
"901576"	340.155424	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-H"	-1.007276
"49510"	698.344671	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M-2H+NH4"	16.019271
"491136"	1039.507371	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M-2H+NH4"	16.019271
"868938"	357.181971	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-2H+NH4"	16.019271
"39030"	703.300066	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M-2H+Na"	20.974666
"482966"	1044.462766	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M-2H+Na"	20.974666
"853112"	362.137366	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-2H+Na"	20.974666
"1629205"	362.137366	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Na-2H"	20.974666
"103551"	358.143763	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M-H+Cl"	33.962126
"543109"	528.725113	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M-H+Cl"	33.962126
"936628"	187.562413	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-H+Cl"	33.962126
"268988"	717.294802	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+Cl"	34.969402
"661409"	1058.457502	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+Cl"	34.969402
"1274904"	376.132102	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Cl"	34.969402
"17092"	719.274006	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M-2H+K"	36.948606
"457381"	1060.436706	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M-2H+K"	36.948606
"834819"	378.111306	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-2H+K"	36.948606
"1557945"	378.111306	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+K-2H"	36.948606
"949113"	386.160894	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-H+HCOOH"	44.998194
"363677"	727.323601	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+HCOOH-H"	44.998201
"350116"	741.339251	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+Hac-H"	59.013851
"1495665"	400.176551	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Hac-H"	59.013851
"961383"	408.142851	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-H+NaCOOH"	66.980151
"112477"	376.132102	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+2Cl"	69.938804
"552042"	546.713452	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+2Cl"	69.938804
"1023394"	205.550752	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2Cl"	69.938804
"1242363"	420.081585	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Br"	78.918885
"1305785"	422.137572	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Cl+HCOOH"	80.974872
"1321460"	444.119529	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Cl+NaCOOH"	102.956829
"915435"	454.148286	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M-H+CF3COOH"	112.985586
"1290323"	490.124964	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Cl+CF3COOH"	148.962264
"1368845"	306.150024	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H-2H2O"	-35.012676
"1393277"	324.16	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H-H2O"	-17.0027
"298505"	683.332676	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+H"	1.007276
"682105"	1024.495376	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+H"	1.007276
"1351889"	342.169976	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H"	1.007276
"127695"	342.169976	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+2H"	2.014552
"565915"	512.751326	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+2H"	2.014552
"1038005"	171.588626	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2H"	2.014552
"204932"	228.449076	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+3H"	3.021828
"644614"	342.169976	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+3H"	3.021828
"1164561"	114.728176	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+3H"	3.021828
"425644"	700.359223	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+NH4"	18.033823
"786395"	1041.521923	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+NH4"	18.033823
"1682244"	359.196523	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+NH4"	18.033823
"331376"	350.6832495	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+H+NH4"	19.041099
"724039"	521.2645995	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+H+NH4"	19.041099
"1477858"	180.1018995	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H+NH4"	19.041099
"395812"	705.314618	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+Na"	22.989218
"755710"	1046.477318	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+Na"	22.989218
"1609280"	364.151918	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Na"	22.989218
"318223"	353.160947	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+H+Na"	23.996494
"722073"	523.742297	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+H+Na"	23.996494
"1476155"	182.579597	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H+Na"	23.996494
"1066120"	122.05549	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2H+Na"	25.00377
"1268891"	374.196186	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+CH3OH+H"	33.033486
"388558"	721.288558	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+K"	38.963158
"750283"	1062.451258	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+K"	38.963158
"1553060"	380.125858	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+K"	38.963158
"313033"	361.147917	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+H+K"	39.970434
"705205"	531.729267	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+H+K"	39.970434
"1458301"	190.566567	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H+K"	39.970434
"247997"	724.359226	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+ACN+H"	42.033826
"1223255"	383.196526	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+ACN+H"	42.033826
"1207869"	192.101901	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+ACN+2H"	43.041102
"202438"	727.29656	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+2Na-H"	44.97116
"642482"	1068.45926	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+2Na-H"	44.97116
"1138701"	386.13386	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2Na-H"	44.97116
"183082"	364.151918	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+2Na"	45.978436
"615720"	534.733268	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+2Na"	45.978436
"1116430"	193.570568	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2Na"	45.978436
"1402024"	129.382804	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H+2Na"	46.985712
"1431587"	388.175446	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H+HCOOH"	47.012746
"226024"	369.18494	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+3H2O+2H"	56.04448
"1508680"	402.22749	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+IsoProp+H"	61.06479
"414869"	372.138888	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+Na+K"	61.952376
"782427"	542.720238	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+Na+K"	61.952376
"1678760"	201.557538	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Na+K"	61.952376
"262002"	746.341168	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+ACN+Na"	64.015768
"1235806"	405.178468	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+ACN+Na"	64.015768
"1724691"	405.201993	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+NH4+HCOOH"	64.039293
"1190045"	136.710118	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+3Na"	68.967654
"1660667"	410.157388	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Na+HCOOH"	68.994688
"167893"	759.24444	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+2K-H"	76.91904
"604904"	1100.40714	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+2K-H"	76.91904
"1093060"	418.08174	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2K-H"	76.91904
"153153"	380.125858	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"2M+2K"	77.926316
"591619"	550.707208	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"3M+2K"	77.926316
"1082209"	209.544508	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2K"	77.926316
"1112993"	420.096292	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2K+H"	78.933592
"1346821"	420.183907	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+DMSO+H"	79.021207
"1016085"	424.223076	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2ACN+H"	83.060376
"1535305"	425.216708	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+IsoProp+Na+H"	84.054008
"999931"	212.615176	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+2ACN+2H"	84.067652
"1594431"	426.131328	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+K+HCOOH"	84.968628
"1427744"	456.162838	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+H+CF3COOH"	115.000138
"1161313"	233.128451	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+3ACN+2H"	125.094202
"1705398"	473.189385	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+NH4+CF3COOH"	132.026685
"1648702"	478.14478	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+Na+CF3COOH"	136.98208
"1586539"	494.11872	"C07253"	"Naltrexone"	"C20H23NO4"	"341.1627"	"M+K+CF3COOH"	152.95602
"815811"	274.1933	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M"	0
"987160"	255.17491	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-H2O-H"	-19.01839
"71029"	181.788257333333	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M-3H"	-3.021828
"511682"	273.186024	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M-3H"	-3.021828
"890576"	90.3904906666667	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-3H"	-3.021828
"11338"	273.186024	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M-2H"	-2.014552
"441175"	410.282674	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M-2H"	-2.014552
"822139"	136.089374	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-2H"	-2.014552
"79452"	547.379324	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M-H"	-1.007276
"520233"	821.572624	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M-H"	-1.007276
"897433"	273.186024	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-H"	-1.007276
"50225"	564.405871	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M-2H+NH4"	16.019271
"490878"	838.599171	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M-2H+NH4"	16.019271
"866855"	290.212571	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-2H+NH4"	16.019271
"36954"	569.361266	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M-2H+Na"	20.974666
"476514"	843.554566	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M-2H+Na"	20.974666
"853222"	295.167966	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-2H+Na"	20.974666
"1623848"	295.167966	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Na-2H"	20.974666
"98194"	291.174363	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M-H+Cl"	33.962126
"536659"	428.271013	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M-H+Cl"	33.962126
"931269"	154.077713	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-H+Cl"	33.962126
"268124"	583.356002	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+Cl"	34.969402
"667714"	857.549302	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+Cl"	34.969402
"1274526"	309.162702	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Cl"	34.969402
"17323"	585.335206	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M-2H+K"	36.948606
"457734"	859.528506	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M-2H+K"	36.948606
"834684"	311.141906	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-2H+K"	36.948606
"1558416"	311.141906	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+K-2H"	36.948606
"948494"	319.191494	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-H+HCOOH"	44.998194
"364516"	593.384801	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+HCOOH-H"	44.998201
"348762"	607.400451	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+Hac-H"	59.013851
"1496139"	333.207151	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Hac-H"	59.013851
"961856"	341.173451	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-H+NaCOOH"	66.980151
"112222"	309.162702	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+2Cl"	69.938804
"552516"	446.259352	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+2Cl"	69.938804
"1023989"	172.066052	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2Cl"	69.938804
"1242108"	353.112185	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Br"	78.918885
"1308082"	355.168172	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Cl+HCOOH"	80.974872
"1321206"	377.150129	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Cl+NaCOOH"	102.956829
"914813"	387.178886	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M-H+CF3COOH"	112.985586
"1291162"	423.155564	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Cl+CF3COOH"	148.962264
"1369320"	239.180624	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H-2H2O"	-35.012676
"1388647"	257.1906	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H-H2O"	-17.0027
"291981"	549.393876	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+H"	1.007276
"679662"	823.587176	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+H"	1.007276
"1352234"	275.200576	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H"	1.007276
"126096"	275.200576	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+2H"	2.014552
"566507"	412.297226	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+2H"	2.014552
"1037872"	138.103926	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2H"	2.014552
"204679"	183.802809333333	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+3H"	3.021828
"645090"	275.200576	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+3H"	3.021828
"1166492"	92.4050426666667	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+3H"	3.021828
"426240"	566.420423	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+NH4"	18.033823
"787478"	840.613723	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+NH4"	18.033823
"1683080"	292.227123	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+NH4"	18.033823
"330266"	283.7138495	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+H+NH4"	19.041099
"723212"	420.8104995	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+H+NH4"	19.041099
"1479425"	146.6171995	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H+NH4"	19.041099
"394099"	571.375818	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+Na"	22.989218
"755823"	845.569118	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+Na"	22.989218
"1609390"	297.182518	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Na"	22.989218
"319790"	286.191547	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+H+Na"	23.996494
"719508"	423.288197	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+H+Na"	23.996494
"1476546"	149.094897	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H+Na"	23.996494
"1065866"	99.7323566666667	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2H+Na"	25.00377
"1267543"	307.226786	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+CH3OH+H"	33.033486
"390492"	587.349758	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+K"	38.963158
"751849"	861.543058	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+K"	38.963158
"1554992"	313.156458	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+K"	38.963158
"314232"	294.178517	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+H+K"	39.970434
"705679"	431.275167	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+H+K"	39.970434
"1458777"	157.081867	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H+K"	39.970434
"249564"	590.420426	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+ACN+H"	42.033826
"1223728"	316.227126	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+ACN+H"	42.033826
"1208344"	158.617201	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+ACN+2H"	43.041102
"203398"	593.35776	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+2Na-H"	44.97116
"642590"	867.55106	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+2Na-H"	44.97116
"1138811"	319.16446	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2Na-H"	44.97116
"182099"	297.182518	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+2Na"	45.978436
"616923"	434.279168	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+2Na"	45.978436
"1116784"	160.085868	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2Na"	45.978436
"1400673"	107.059670666667	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H+2Na"	46.985712
"1430844"	321.206046	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H+HCOOH"	47.012746
"226134"	302.21554	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+3H2O+2H"	56.04448
"1510548"	335.25809	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+IsoProp+H"	61.06479
"417164"	305.169488	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+Na+K"	61.952376
"779255"	442.266138	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+Na+K"	61.952376
"1674495"	168.072838	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Na+K"	61.952376
"264298"	612.402368	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+ACN+Na"	64.015768
"1238829"	338.209068	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+ACN+Na"	64.015768
"1726622"	338.232593	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+NH4+HCOOH"	64.039293
"1189792"	114.386984666667	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+3Na"	68.967654
"1660047"	343.187988	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Na+HCOOH"	68.994688
"168004"	625.30564	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+2K-H"	76.91904
"605015"	899.49894	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+2K-H"	76.91904
"1094262"	351.11234	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2K-H"	76.91904
"153265"	313.156458	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"2M+2K"	77.926316
"594645"	450.253108	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"3M+2K"	77.926316
"1080617"	176.059808	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2K"	77.926316
"1113102"	353.126892	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2K+H"	78.933592
"1346931"	353.214507	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+DMSO+H"	79.021207
"1016923"	357.253676	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2ACN+H"	83.060376
"1534684"	358.247308	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+IsoProp+Na+H"	84.054008
"1001132"	179.130476	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+2ACN+2H"	84.067652
"1595635"	359.161928	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+K+HCOOH"	84.968628
"1425667"	389.193438	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+H+CF3COOH"	115.000138
"1160330"	199.643751	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+3ACN+2H"	125.094202
"1705508"	406.219985	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+NH4+CF3COOH"	132.026685
"1648812"	411.17538	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+Na+CF3COOH"	136.98208
"1586649"	427.14932	"C07254"	"Nandrolone"	"C18H26O2"	"274.1933"	"M+K+CF3COOH"	152.95602
"815921"	371.1005	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M"	0
"987270"	352.08211	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-H2O-H"	-19.01839
"76606"	246.393057333333	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M-3H"	-3.021828
"516166"	370.093224	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M-3H"	-3.021828
"893968"	122.692890666667	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-3H"	-3.021828
"11449"	370.093224	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M-2H"	-2.014552
"443352"	555.643474	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M-2H"	-2.014552
"825529"	184.542974	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-2H"	-2.014552
"79323"	741.193724	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M-H"	-1.007276
"519980"	1112.294224	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M-H"	-1.007276
"899609"	370.093224	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-H"	-1.007276
"48634"	758.220271	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M-2H+NH4"	16.019271
"497915"	1129.320771	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M-2H+NH4"	16.019271
"866605"	387.119771	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-2H+NH4"	16.019271
"38157"	763.175666	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M-2H+Na"	20.974666
"477718"	1134.276166	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M-2H+Na"	20.974666
"854426"	392.075166	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-2H+Na"	20.974666
"1626145"	392.075166	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Na-2H"	20.974666
"96117"	388.081563	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M-H+Cl"	33.962126
"536769"	573.631813	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M-H+Cl"	33.962126
"931379"	202.531313	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-H+Cl"	33.962126
"268235"	777.170402	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+Cl"	34.969402
"664544"	1148.270902	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+Cl"	34.969402
"1273540"	406.069902	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Cl"	34.969402
"16460"	779.149606	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M-2H+K"	36.948606
"456506"	1150.250106	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M-2H+K"	36.948606
"835041"	408.049106	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-2H+K"	36.948606
"1556582"	408.049106	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+K-2H"	36.948606
"946782"	416.098694	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-H+HCOOH"	44.998194
"362802"	787.199201	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+HCOOH-H"	44.998201
"345903"	801.214851	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+Hac-H"	59.013851
"1492789"	430.114351	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Hac-H"	59.013851
"959048"	438.080651	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-H+NaCOOH"	66.980151
"113425"	406.069902	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+2Cl"	69.938804
"551896"	591.620152	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+2Cl"	69.938804
"1023614"	220.519652	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2Cl"	69.938804
"1243192"	450.019385	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Br"	78.918885
"1306005"	452.075372	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Cl+HCOOH"	80.974872
"1322774"	474.057329	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Cl+NaCOOH"	102.956829
"913830"	484.086086	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M-H+CF3COOH"	112.985586
"1292366"	520.062764	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Cl+CF3COOH"	148.962264
"1368336"	336.087824	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H-2H2O"	-35.012676
"1388029"	354.0978	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H-H2O"	-17.0027
"292091"	743.208276	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+H"	1.007276
"680137"	1114.308776	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+H"	1.007276
"1351862"	372.107776	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H"	1.007276
"126453"	372.107776	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+2H"	2.014552
"566134"	557.658026	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+2H"	2.014552
"1038954"	186.557526	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2H"	2.014552
"205516"	248.407609333333	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+3H"	3.021828
"645685"	372.107776	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+3H"	3.021828
"1165509"	124.707442666667	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+3H"	3.021828
"426595"	760.234823	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+NH4"	18.033823
"789777"	1131.335323	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+NH4"	18.033823
"1682585"	389.134323	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+NH4"	18.033823
"330377"	380.6210495	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+H+NH4"	19.041099
"722932"	566.1712995	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+H+NH4"	19.041099
"1478567"	195.0707995	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H+NH4"	19.041099
"396032"	765.190218	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+Na"	22.989218
"767964"	1136.290718	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+Na"	22.989218
"1612781"	394.089718	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Na"	22.989218
"318443"	383.098747	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+H+Na"	23.996494
"720714"	568.648997	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+H+Na"	23.996494
"1474915"	197.548497	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H+Na"	23.996494
"1065977"	132.034756666667	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2H+Na"	25.00377
"1268017"	404.133986	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+CH3OH+H"	33.033486
"388415"	781.164158	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+K"	38.963158
"750503"	1152.264658	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+K"	38.963158
"1554009"	410.063658	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+K"	38.963158
"313008"	391.085717	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+H+K"	39.970434
"703238"	576.635967	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+H+K"	39.970434
"1459613"	205.535467	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H+K"	39.970434
"249918"	784.234826	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+ACN+H"	42.033826
"1223838"	413.134326	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+ACN+H"	42.033826
"1208816"	207.070801	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+ACN+2H"	43.041102
"203507"	787.17216	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+2Na-H"	44.97116
"641972"	1158.27266	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+2Na-H"	44.97116
"1142201"	416.07166	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2Na-H"	44.97116
"185125"	394.089718	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+2Na"	45.978436
"623959"	579.639968	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+2Na"	45.978436
"1118352"	208.539468	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2Na"	45.978436
"1400905"	139.362070666667	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H+2Na"	46.985712
"1432413"	418.113246	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H+HCOOH"	47.012746
"227337"	399.12274	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+3H2O+2H"	56.04448
"1509564"	432.16529	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+IsoProp+H"	61.06479
"416180"	402.076688	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+Na+K"	61.952376
"776085"	587.626938	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+Na+K"	61.952376
"1673512"	216.526438	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Na+K"	61.952376
"263315"	806.216768	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+ACN+Na"	64.015768
"1234931"	435.116268	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+ACN+Na"	64.015768
"1724544"	435.139793	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+NH4+HCOOH"	64.039293
"1188078"	146.689384666667	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+3Na"	68.967654
"1659063"	440.095188	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Na+HCOOH"	68.994688
"168840"	819.12004	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+2K-H"	76.91904
"606581"	1190.22054	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+2K-H"	76.91904
"1094009"	448.01954	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2K-H"	76.91904
"154469"	410.063658	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"2M+2K"	77.926316
"594025"	595.613908	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"3M+2K"	77.926316
"1079633"	224.513408	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2K"	77.926316
"1113211"	450.034092	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2K+H"	78.933592
"1346677"	450.121707	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+DMSO+H"	79.021207
"1016668"	454.160876	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2ACN+H"	83.060376
"1535886"	455.154508	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+IsoProp+Na+H"	84.054008
"1002701"	227.584076	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+2ACN+2H"	84.067652
"1595744"	456.069128	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+K+HCOOH"	84.968628
"1429057"	486.100638	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+H+CF3COOH"	115.000138
"1161533"	248.097351	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+3ACN+2H"	125.094202
"1707804"	503.127185	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+NH4+CF3COOH"	132.026685
"1648922"	508.08258	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+Na+CF3COOH"	136.98208
"1586759"	524.05652	"C07255"	"Nedocromil"	"C19H17NO7"	"371.1005"	"M+K+CF3COOH"	152.95602
"814938"	469.2245	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M"	0
"984100"	450.20611	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-H2O-H"	-19.01839
"74529"	311.809057333333	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M-3H"	-3.021828
"516276"	468.217224	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M-3H"	-3.021828
"893957"	155.400890666667	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-3H"	-3.021828
"10465"	468.217224	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M-2H"	-2.014552
"442368"	702.829474	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M-2H"	-2.014552
"822359"	233.604974	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-2H"	-2.014552
"78824"	937.441724	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M-H"	-1.007276
"518989"	1406.666224	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M-H"	-1.007276
"900811"	468.217224	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-H"	-1.007276
"54091"	954.468271	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M-2H+NH4"	16.019271
"495838"	1423.692771	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M-2H+NH4"	16.019271
"868172"	485.243771	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-2H+NH4"	16.019271
"37172"	959.423666	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M-2H+Na"	20.974666
"474545"	1428.648166	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M-2H+Na"	20.974666
"853443"	490.199166	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-2H+Na"	20.974666
"1622974"	490.199166	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Na-2H"	20.974666
"96227"	486.205563	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M-H+Cl"	33.962126
"537972"	720.817813	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M-H+Cl"	33.962126
"929665"	251.593313	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-H+Cl"	33.962126
"270045"	973.418402	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+Cl"	34.969402
"663925"	1442.642902	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+Cl"	34.969402
"1274505"	504.193902	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Cl"	34.969402
"16005"	975.397606	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M-2H+K"	36.948606
"456497"	1444.622106	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M-2H+K"	36.948606
"835516"	506.173106	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-2H+K"	36.948606
"1556573"	506.173106	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+K-2H"	36.948606
"946891"	514.222694	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-H+HCOOH"	44.998194
"362548"	983.447201	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+HCOOH-H"	44.998201
"345770"	997.462851	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+Hac-H"	59.013851
"1493437"	528.238351	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Hac-H"	59.013851
"958873"	536.204651	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-H+NaCOOH"	66.980151
"111713"	504.193902	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+2Cl"	69.938804
"551278"	738.806152	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+2Cl"	69.938804
"1023724"	269.581652	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2Cl"	69.938804
"1242573"	548.143385	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Br"	78.918885
"1306115"	550.199372	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Cl+HCOOH"	80.974872
"1323247"	572.181329	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Cl+NaCOOH"	102.956829
"913211"	582.210086	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M-H+CF3COOH"	112.985586
"1292476"	618.186764	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Cl+CF3COOH"	148.962264
"1368447"	434.211824	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H-2H2O"	-35.012676
"1388139"	452.2218	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H-H2O"	-17.0027
"292201"	939.456276	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+H"	1.007276
"680247"	1408.680776	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+H"	1.007276
"1353312"	470.231776	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H"	1.007276
"127658"	470.231776	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+2H"	2.014552
"566853"	704.844026	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+2H"	2.014552
"1038213"	235.619526	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2H"	2.014552
"205750"	313.823609333333	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+3H"	3.021828
"646767"	470.231776	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+3H"	3.021828
"1166712"	157.415442666667	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+3H"	3.021828
"427798"	956.482823	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+NH4"	18.033823
"792073"	1425.707323	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+NH4"	18.033823
"1684031"	487.258323	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+NH4"	18.033823
"330163"	478.7450495	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+H+NH4"	19.041099
"723512"	713.3572995	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+H+NH4"	19.041099
"1480742"	244.1327995	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H+NH4"	19.041099
"396142"	961.438218	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+Na"	22.989218
"764793"	1430.662718	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+Na"	22.989218
"1612891"	492.213718	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Na"	22.989218
"318553"	481.222747	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+H+Na"	23.996494
"721433"	715.834997	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+H+Na"	23.996494
"1476480"	246.610497	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H+Na"	23.996494
"1066450"	164.742756666667	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2H+Na"	25.00377
"1265941"	502.257986	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+CH3OH+H"	33.033486
"387795"	977.412158	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+K"	38.963158
"745876"	1446.636658	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+K"	38.963158
"1555211"	508.187658	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+K"	38.963158
"313482"	489.209717	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+H+K"	39.970434
"702982"	723.821967	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+H+K"	39.970434
"1458629"	254.597467	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H+K"	39.970434
"248326"	980.482826	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+ACN+H"	42.033826
"1224676"	511.258326	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+ACN+H"	42.033826
"1207832"	256.132801	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+ACN+2H"	43.041102
"200335"	983.42016	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+2Na-H"	44.97116
"639530"	1452.64466	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+2Na-H"	44.97116
"1141218"	514.19566	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2Na-H"	44.97116
"185236"	492.213718	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+2Na"	45.978436
"620789"	726.825968	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+2Na"	45.978436
"1119555"	257.601468	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2Na"	45.978436
"1402715"	172.070070666667	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H+2Na"	46.985712
"1432278"	516.237246	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H+HCOOH"	47.012746
"224167"	497.24674	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+3H2O+2H"	56.04448
"1510039"	530.28929	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+IsoProp+H"	61.06479
"417383"	500.200688	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+Na+K"	61.952376
"777288"	734.812938	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+Na+K"	61.952376
"1672893"	265.588438	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Na+K"	61.952376
"265611"	1002.464768	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+ACN+Na"	64.015768
"1236864"	533.240268	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+ACN+Na"	64.015768
"1726111"	533.263793	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+NH4+HCOOH"	64.039293
"1191104"	179.397384666667	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+3Na"	68.967654
"1660266"	538.219188	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Na+HCOOH"	68.994688
"169314"	1015.36804	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+2K-H"	76.91904
"606326"	1484.59254	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+2K-H"	76.91904
"1096304"	546.14354	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2K-H"	76.91904
"155305"	508.187658	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"2M+2K"	77.926316
"594135"	742.799908	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"3M+2K"	77.926316
"1081929"	273.575408	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2K"	77.926316
"1112593"	548.158092	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2K+H"	78.933592
"1346056"	548.245707	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+DMSO+H"	79.021207
"1014591"	552.284876	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2ACN+H"	83.060376
"1535996"	553.278508	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+IsoProp+Na+H"	84.054008
"1001352"	276.646076	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+2ACN+2H"	84.067652
"1592573"	554.193128	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+K+HCOOH"	84.968628
"1428073"	584.224638	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+H+CF3COOH"	115.000138
"1160549"	297.159351	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+3ACN+2H"	125.094202
"1707914"	601.251185	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+NH4+CF3COOH"	132.026685
"1649032"	606.20658	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+Na+CF3COOH"	136.98208
"1586869"	622.18052	"C07256"	"Nefazodone"	"C25H32ClN5O2"	"469.2245"	"M+K+CF3COOH"	152.95602
"815048"	567.3131	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M"	0
"984210"	548.29471	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-H2O-H"	-19.01839
"71359"	377.201457333333	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M-3H"	-3.021828
"516386"	566.305824	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M-3H"	-3.021828
"894066"	188.097090666667	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-3H"	-3.021828
"9482"	566.305824	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M-2H"	-2.014552
"442478"	849.962374	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M-2H"	-2.014552
"824656"	282.649274	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-2H"	-2.014552
"80272"	1133.618924	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M-H"	-1.007276
"519833"	1700.932024	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M-H"	-1.007276
"897762"	566.305824	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-H"	-1.007276
"50921"	1150.645471	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M-2H+NH4"	16.019271
"489388"	1717.958571	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M-2H+NH4"	16.019271
"865244"	583.332371	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-2H+NH4"	16.019271
"35096"	1155.600866	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M-2H+Na"	20.974666
"473562"	1722.913966	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M-2H+Na"	20.974666
"853553"	588.287766	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-2H+Na"	20.974666
"1621991"	588.287766	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Na-2H"	20.974666
"97426"	584.294163	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M-H+Cl"	33.962126
"540267"	867.950713	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M-H+Cl"	33.962126
"929775"	300.637613	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-H+Cl"	33.962126
"270156"	1169.595602	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+Cl"	34.969402
"662212"	1736.908702	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+Cl"	34.969402
"1272890"	602.282502	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Cl"	34.969402
"16195"	1171.574806	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M-2H+K"	36.948606
"456444"	1738.887906	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M-2H+K"	36.948606
"832826"	604.261706	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-2H+K"	36.948606
"1556926"	604.261706	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+K-2H"	36.948606
"945176"	612.311294	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-H+HCOOH"	44.998194
"361417"	1179.624401	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+HCOOH-H"	44.998201
"345968"	1193.640051	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+Hac-H"	59.013851
"1493182"	626.326951	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Hac-H"	59.013851
"959266"	634.293251	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-H+NaCOOH"	66.980151
"111091"	602.282502	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+2Cl"	69.938804
"551016"	885.939052	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+2Cl"	69.938804
"1021603"	318.625952	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2Cl"	69.938804
"1243046"	646.231985	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Br"	78.918885
"1305252"	648.287972	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Cl+HCOOH"	80.974872
"1320683"	670.269929	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Cl+NaCOOH"	102.956829
"911738"	680.298686	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M-H+CF3COOH"	112.985586
"1290637"	716.275364	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Cl+CF3COOH"	148.962264
"1371109"	532.300424	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H-2H2O"	-35.012676
"1383989"	550.3104	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H-H2O"	-17.0027
"287936"	1135.633476	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+H"	1.007276
"679264"	1702.946576	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+H"	1.007276
"1354152"	568.320376	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H"	1.007276
"128497"	568.320376	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+2H"	2.014552
"567328"	851.976926	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+2H"	2.014552
"1039053"	284.663826	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2H"	2.014552
"206954"	379.216009333333	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+3H"	3.021828
"646512"	568.320376	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+3H"	3.021828
"1169008"	190.111642666667	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+3H"	3.021828
"427908"	1152.660023	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+NH4"	18.033823
"793276"	1719.973123	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+NH4"	18.033823
"1683048"	585.346923	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+NH4"	18.033823
"330232"	576.8336495	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+H+NH4"	19.041099
"723503"	860.4901995	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+H+NH4"	19.041099
"1479759"	293.1770995	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H+NH4"	19.041099
"394065"	1157.615418	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+Na"	22.989218
"755542"	1724.928518	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+Na"	22.989218
"1606438"	590.302318	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Na"	22.989218
"316840"	579.311347	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+H+Na"	23.996494
"719841"	862.967897	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+H+Na"	23.996494
"1474769"	295.654797	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H+Na"	23.996494
"1065465"	197.438956666667	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2H+Na"	25.00377
"1267508"	600.346586	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+CH3OH+H"	33.033486
"389362"	1173.589358	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+K"	38.963158
"751450"	1740.902458	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+K"	38.963158
"1553499"	606.276258	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+K"	38.963158
"311405"	587.298317	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+H+K"	39.970434
"699812"	870.954867	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+H+K"	39.970434
"1456912"	303.641767	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H+K"	39.970434
"246247"	1176.660026	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+ACN+H"	42.033826
"1221870"	609.346926	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+ACN+H"	42.033826
"1205391"	305.177101	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+ACN+2H"	43.041102
"200445"	1179.59736	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+2Na-H"	44.97116
"639640"	1746.91046	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+2Na-H"	44.97116
"1134037"	612.28426	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2Na-H"	44.97116
"181337"	590.302318	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+2Na"	45.978436
"612996"	873.958868	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+2Na"	45.978436
"1116748"	306.645768	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2Na"	45.978436
"1400273"	204.766270666667	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H+2Na"	46.985712
"1430565"	614.325846	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H+HCOOH"	47.012746
"222090"	595.33534	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+3H2O+2H"	56.04448
"1509784"	628.37789	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+IsoProp+H"	61.06479
"414213"	598.289288	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+Na+K"	61.952376
"774118"	881.945838	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+Na+K"	61.952376
"1672639"	314.632738	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Na+K"	61.952376
"263171"	1198.641968	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+ACN+Na"	64.015768
"1235152"	631.328868	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+ACN+Na"	64.015768
"1725127"	631.352393	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+NH4+HCOOH"	64.039293
"1188298"	212.093584666667	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+3Na"	68.967654
"1659283"	636.307788	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Na+HCOOH"	68.994688
"167967"	1211.54524	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+2K-H"	76.91904
"605707"	1778.85834	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+2K-H"	76.91904
"1091311"	644.23214	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2K-H"	76.91904
"153594"	606.276258	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"2M+2K"	77.926316
"594245"	889.932808	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"3M+2K"	77.926316
"1077667"	322.619708	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2K"	77.926316
"1110877"	646.246692	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2K+H"	78.933592
"1343980"	646.334307	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+DMSO+H"	79.021207
"1014700"	650.373476	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2ACN+H"	83.060376
"1535011"	651.367108	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+IsoProp+Na+H"	84.054008
"1002191"	325.690376	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+2ACN+2H"	84.067652
"1590497"	652.281728	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+K+HCOOH"	84.968628
"1428183"	682.313238	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+H+CF3COOH"	115.000138
"1160295"	346.203651	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+3ACN+2H"	125.094202
"1708024"	699.339785	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+NH4+CF3COOH"	132.026685
"1649142"	704.29518	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+Na+CF3COOH"	136.98208
"1586979"	720.26912	"C07257"	"Nelfinavir"	"C32H45N3O4S"	"567.3131"	"M+K+CF3COOH"	152.95602
"815158"	223.1447	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M"	0
"984320"	204.12631	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-H2O-H"	-19.01839
"72562"	147.755857333333	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M-3H"	-3.021828
"516496"	222.137424	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M-3H"	-3.021828
"894297"	73.3742906666667	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-3H"	-3.021828
"10685"	222.137424	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M-2H"	-2.014552
"444775"	333.709774	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M-2H"	-2.014552
"824766"	110.565074	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-2H"	-2.014552
"81475"	445.282124	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M-H"	-1.007276
"521400"	668.426824	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M-H"	-1.007276
"898844"	222.137424	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-H"	-1.007276
"51031"	462.308671	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M-2H+NH4"	16.019271
"489619"	685.453371	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M-2H+NH4"	16.019271
"865354"	239.163971	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-2H+NH4"	16.019271
"37387"	467.264066	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M-2H+Na"	20.974666
"474765"	690.408766	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M-2H+Na"	20.974666
"853663"	244.119366	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-2H+Na"	20.974666
"1622101"	244.119366	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Na-2H"	20.974666
"98629"	240.125763	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M-H+Cl"	33.962126
"541470"	351.698113	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M-H+Cl"	33.962126
"928062"	128.553413	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-H+Cl"	33.962126
"271360"	481.258802	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+Cl"	34.969402
"663415"	704.403502	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+Cl"	34.969402
"1273262"	258.114102	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Cl"	34.969402
"18738"	483.238006	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M-2H+K"	36.948606
"458298"	706.382706	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M-2H+K"	36.948606
"832922"	260.093306	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-2H+K"	36.948606
"1555666"	260.093306	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+K-2H"	36.948606
"946379"	268.142894	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-H+HCOOH"	44.998194
"362037"	491.287601	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+HCOOH-H"	44.998201
"346649"	505.303251	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+Hac-H"	59.013851
"1494387"	282.158551	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Hac-H"	59.013851
"960833"	290.124851	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-H+NaCOOH"	66.980151
"110592"	258.114102	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+2Cl"	69.938804
"552220"	369.686452	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+2Cl"	69.938804
"1021387"	146.541752	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2Cl"	69.938804
"1241817"	302.063585	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Br"	78.918885
"1305962"	304.119572	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Cl+HCOOH"	80.974872
"1320790"	326.101529	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Cl+NaCOOH"	102.956829
"911845"	336.130286	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M-H+CF3COOH"	112.985586
"1288633"	372.106964	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Cl+CF3COOH"	148.962264
"1368668"	188.132024	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H-2H2O"	-35.012676
"1383077"	206.142	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H-H2O"	-17.0027
"282965"	447.296676	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+H"	1.007276
"675695"	670.441376	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+H"	1.007276
"1352191"	224.151976	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H"	1.007276
"128972"	224.151976	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+2H"	2.014552
"566952"	335.724326	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+2H"	2.014552
"1040978"	112.579626	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2H"	2.014552
"210339"	149.770409333333	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+3H"	3.021828
"649900"	224.151976	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+3H"	3.021828
"1165838"	75.3888426666667	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+3H"	3.021828
"425342"	464.323223	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+NH4"	18.033823
"791199"	687.467923	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+NH4"	18.033823
"1684614"	241.178523	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+NH4"	18.033823
"336903"	232.6652495	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+H+NH4"	19.041099
"724220"	344.2375995	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+H+NH4"	19.041099
"1482052"	121.0928995	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H+NH4"	19.041099
"397450"	469.278618	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+Na"	22.989218
"758448"	692.423318	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+Na"	22.989218
"1606548"	246.133918	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Na"	22.989218
"318767"	235.142947	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+H+Na"	23.996494
"721650"	346.715297	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+H+Na"	23.996494
"1469404"	123.570597	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H+Na"	23.996494
"1067029"	82.7161566666667	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2H+Na"	25.00377
"1271983"	256.178186	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+CH3OH+H"	33.033486
"386184"	485.252558	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+K"	38.963158
"750460"	708.397258	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+K"	38.963158
"1550326"	262.107858	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+K"	38.963158
"309687"	243.129917	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+H+K"	39.970434
"704661"	354.702267	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+H+K"	39.970434
"1458113"	131.557567	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H+K"	39.970434
"240156"	488.323226	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+ACN+H"	42.033826
"1217239"	265.178526	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+ACN+H"	42.033826
"1200392"	133.092901	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+ACN+2H"	43.041102
"195085"	491.26056	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+2Na-H"	44.97116
"629660"	714.40526	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+2Na-H"	44.97116
"1132324"	268.11586	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2Na-H"	44.97116
"177801"	246.133918	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+2Na"	45.978436
"618818"	357.706268	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+2Na"	45.978436
"1117221"	134.561568	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2Na"	45.978436
"1398629"	90.0434706666667	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H+2Na"	46.985712
"1430179"	270.157446	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H+HCOOH"	47.012746
"224016"	251.16694	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+3H2O+2H"	56.04448
"1508911"	284.20949	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+IsoProp+H"	61.06479
"414323"	254.120888	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+Na+K"	61.952376
"776414"	365.693238	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+Na+K"	61.952376
"1673842"	142.548538	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Na+K"	61.952376
"258172"	510.305168	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+ACN+Na"	64.015768
"1235257"	287.160468	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+ACN+Na"	64.015768
"1724144"	287.183993	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+NH4+HCOOH"	64.039293
"1188404"	97.3707846666667	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+3Na"	68.967654
"1660482"	292.139388	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Na+HCOOH"	68.994688
"168441"	523.20844	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+2K-H"	76.91904
"604723"	746.35314	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+2K-H"	76.91904
"1093971"	300.06374	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2K-H"	76.91904
"151151"	262.107858	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"2M+2K"	77.926316
"592167"	373.680208	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"3M+2K"	77.926316
"1077773"	150.535508	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2K"	77.926316
"1109890"	302.078292	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2K+H"	78.933592
"1344089"	302.165907	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+DMSO+H"	79.021207
"1013714"	306.205076	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2ACN+H"	83.060376
"1532930"	307.198708	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+IsoProp+Na+H"	84.054008
"1000473"	153.606176	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+2ACN+2H"	84.067652
"1593886"	308.113328	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+K+HCOOH"	84.968628
"1425013"	338.144838	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+H+CF3COOH"	115.000138
"1157489"	174.119451	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+3ACN+2H"	125.094202
"1708133"	355.171385	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+NH4+CF3COOH"	132.026685
"1642690"	360.12678	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+Na+CF3COOH"	136.98208
"1571372"	376.10072	"C07258"	"Neostigmine"	"C12H19N2O2"	"223.1447"	"M+K+CF3COOH"	152.95602
"816852"	474.2049	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M"	0
"989883"	455.18651	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-H2O-H"	-19.01839
"78494"	315.129324	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M-3H"	-3.021828
"518189"	473.197624	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M-3H"	-3.021828
"895138"	157.061024	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-3H"	-3.021828
"15651"	473.197624	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M-2H"	-2.014552
"448166"	710.300074	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M-2H"	-2.014552
"825970"	236.095174	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-2H"	-2.014552
"79520"	947.402524	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M-H"	-1.007276
"520053"	1421.607424	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M-H"	-1.007276
"902235"	473.197624	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-H"	-1.007276
"54421"	964.429071	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M-2H+NH4"	16.019271
"491795"	1438.633971	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M-2H+NH4"	16.019271
"866436"	490.224171	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-2H+NH4"	16.019271
"37497"	969.384466	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M-2H+Na"	20.974666
"474875"	1443.589366	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M-2H+Na"	20.974666
"851585"	495.179566	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-2H+Na"	20.974666
"1623305"	495.179566	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Na-2H"	20.974666
"99832"	491.185963	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M-H+Cl"	33.962126
"541580"	728.288413	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M-H+Cl"	33.962126
"931817"	254.083513	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-H+Cl"	33.962126
"274749"	983.379202	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+Cl"	34.969402
"664254"	1457.584102	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+Cl"	34.969402
"1274831"	509.174302	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Cl"	34.969402
"20306"	985.358406	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M-2H+K"	36.948606
"458772"	1459.563306	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M-2H+K"	36.948606
"834751"	511.153506	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-2H+K"	36.948606
"1558969"	511.153506	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+K-2H"	36.948606
"947947"	519.203094	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-H+HCOOH"	44.998194
"365067"	993.408001	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+HCOOH-H"	44.998201
"346398"	1007.423651	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+Hac-H"	59.013851
"1493161"	533.218751	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Hac-H"	59.013851
"960945"	541.185051	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-H+NaCOOH"	66.980151
"111313"	509.174302	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+2Cl"	69.938804
"551601"	746.276752	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+2Cl"	69.938804
"1023680"	272.071852	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2Cl"	69.938804
"1241922"	553.123785	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Br"	78.918885
"1304978"	555.179772	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Cl+HCOOH"	80.974872
"1320293"	577.161729	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Cl+NaCOOH"	102.956829
"911379"	587.190486	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M-H+CF3COOH"	112.985586
"1289519"	623.167164	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Cl+CF3COOH"	148.962264
"1369872"	439.192224	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H-2H2O"	-35.012676
"1383154"	457.2022	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H-H2O"	-17.0027
"282966"	949.417076	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+H"	1.007276
"676276"	1423.621976	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+H"	1.007276
"1351815"	475.212176	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H"	1.007276
"127260"	475.212176	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+2H"	2.014552
"565846"	712.314626	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+2H"	2.014552
"1040360"	238.109726	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2H"	2.014552
"214822"	317.143876	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+3H"	3.021828
"652196"	475.212176	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+3H"	3.021828
"1169229"	159.075576	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+3H"	3.021828
"430313"	966.443623	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+NH4"	18.033823
"795683"	1440.648523	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+NH4"	18.033823
"1688734"	492.238723	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+NH4"	18.033823
"338106"	483.7254495	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+H+NH4"	19.041099
"727249"	720.8278995	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+H+NH4"	19.041099
"1482162"	246.6229995	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H+NH4"	19.041099
"397561"	971.399018	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+Na"	22.989218
"758558"	1445.603918	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+Na"	22.989218
"1607752"	497.194118	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Na"	22.989218
"318878"	486.203147	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+H+Na"	23.996494
"718964"	723.305597	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+H+Na"	23.996494
"1473888"	249.100697	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H+Na"	23.996494
"1063852"	166.40289	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2H+Na"	25.00377
"1270274"	507.238386	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+CH3OH+H"	33.033486
"389575"	987.372958	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+K"	38.963158
"752757"	1461.577858	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+K"	38.963158
"1554084"	513.168058	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+K"	38.963158
"312716"	494.190117	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+H+K"	39.970434
"706230"	731.292567	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+H+K"	39.970434
"1458223"	257.087667	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H+K"	39.970434
"249379"	990.443626	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+ACN+H"	42.033826
"1222452"	516.238726	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+ACN+H"	42.033826
"1202689"	258.623001	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+ACN+2H"	43.041102
"194101"	993.38096	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+2Na-H"	44.97116
"634753"	1467.58586	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+2Na-H"	44.97116
"1141549"	519.17606	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2Na-H"	44.97116
"183744"	497.194118	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+2Na"	45.978436
"623303"	734.296568	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+2Na"	45.978436
"1124623"	260.091668	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2Na"	45.978436
"1400126"	173.730204	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H+2Na"	46.985712
"1434795"	521.217646	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H+HCOOH"	47.012746
"223034"	502.22714	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+3H2O+2H"	56.04448
"1511094"	535.26969	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+IsoProp+H"	61.06479
"414433"	505.181088	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+Na+K"	61.952376
"773608"	742.283538	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+Na+K"	61.952376
"1671766"	268.078638	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Na+K"	61.952376
"260469"	1012.425568	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+ACN+Na"	64.015768
"1236827"	538.220668	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+ACN+Na"	64.015768
"1724984"	538.244193	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+NH4+HCOOH"	64.039293
"1189610"	181.057518	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+3Na"	68.967654
"1662417"	543.199588	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Na+HCOOH"	68.994688
"170372"	1025.32884	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+2K-H"	76.91904
"604469"	1499.53374	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+2K-H"	76.91904
"1092625"	551.12394	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2K-H"	76.91904
"153449"	513.168058	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"2M+2K"	77.926316
"591189"	750.270508	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"3M+2K"	77.926316
"1081167"	276.065608	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2K"	77.926316
"1108910"	553.138492	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2K+H"	78.933592
"1346389"	553.226107	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+DMSO+H"	79.021207
"1016012"	557.265276	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2ACN+H"	83.060376
"1533041"	558.258908	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+IsoProp+Na+H"	84.054008
"1002771"	279.136276	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+2ACN+2H"	84.067652
"1592903"	559.173528	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+K+HCOOH"	84.968628
"1427310"	589.205038	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+H+CF3COOH"	115.000138
"1154319"	299.649551	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+3ACN+2H"	125.094202
"1707150"	606.231585	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+NH4+CF3COOH"	132.026685
"1642800"	611.18698	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+Na+CF3COOH"	136.98208
"1571478"	627.16092	"C07259"	"Sildenafil"	"C22H30N6O4S"	"474.2049"	"M+K+CF3COOH"	152.95602
"815014"	236.1084	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M"	0
"986727"	217.09001	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-H2O-H"	-19.01839
"76062"	156.398324	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M-3H"	-3.021828
"517568"	235.101124	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M-3H"	-3.021828
"894276"	77.695524	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-3H"	-3.021828
"9810"	235.101124	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M-2H"	-2.014552
"442809"	353.155324	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M-2H"	-2.014552
"824986"	117.046924	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-2H"	-2.014552
"79630"	471.209524	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M-H"	-1.007276
"520163"	707.317924	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M-H"	-1.007276
"900158"	235.101124	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-H"	-1.007276
"51251"	488.236071	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M-2H+NH4"	16.019271
"491905"	724.344471	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M-2H+NH4"	16.019271
"865453"	252.127671	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-2H+NH4"	16.019271
"37607"	493.191466	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M-2H+Na"	20.974666
"471699"	729.299866	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M-2H+Na"	20.974666
"850600"	257.083066	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-2H+Na"	20.974666
"1622321"	257.083066	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Na-2H"	20.974666
"98849"	253.089463	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M-H+Cl"	33.962126
"540597"	371.143663	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M-H+Cl"	33.962126
"930104"	135.035263	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-H+Cl"	33.962126
"268294"	507.186202	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+Cl"	34.969402
"660427"	743.294602	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+Cl"	34.969402
"1274091"	271.077802	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Cl"	34.969402
"19323"	509.165406	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M-2H+K"	36.948606
"458882"	745.273806	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M-2H+K"	36.948606
"834497"	273.057006	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-2H+K"	36.948606
"1559079"	273.057006	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+K-2H"	36.948606
"946236"	281.106594	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-H+HCOOH"	44.998194
"364449"	517.215001	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+HCOOH-H"	44.998201
"346021"	531.230651	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+Hac-H"	59.013851
"1494243"	295.122251	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Hac-H"	59.013851
"961419"	303.088551	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-H+NaCOOH"	66.980151
"111786"	271.077802	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+2Cl"	69.938804
"551711"	389.132002	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+2Cl"	69.938804
"1023062"	153.023602	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2Cl"	69.938804
"1242644"	315.027285	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Br"	78.918885
"1305453"	317.083272	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Cl+HCOOH"	80.974872
"1321134"	339.065229	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Cl+NaCOOH"	102.956829
"912924"	349.093986	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M-H+CF3COOH"	112.985586
"1289264"	385.070664	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Cl+CF3COOH"	148.962264
"1372170"	201.095724	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H-2H2O"	-35.012676
"1383469"	219.1057	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H-H2O"	-17.0027
"282916"	473.224076	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+H"	1.007276
"676429"	709.332476	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+H"	1.007276
"1351682"	237.115676	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H"	1.007276
"127006"	237.115676	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+2H"	2.014552
"566078"	355.169876	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+2H"	2.014552
"1037087"	119.061476	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2H"	2.014552
"208372"	158.412876	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+3H"	3.021828
"650119"	237.115676	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+3H"	3.021828
"1168245"	79.710076	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+3H"	3.021828
"426049"	490.250623	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+NH4"	18.033823
"790326"	726.359023	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+NH4"	18.033823
"1684470"	254.142223	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+NH4"	18.033823
"332749"	245.6289495	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+H+NH4"	19.041099
"725171"	363.6831495	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+H+NH4"	19.041099
"1480086"	127.5747495	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H+NH4"	19.041099
"397671"	495.206018	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+Na"	22.989218
"761950"	731.314418	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+Na"	22.989218
"1610048"	259.097618	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Na"	22.989218
"320082"	248.106647	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+H+Na"	23.996494
"716887"	366.160847	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+H+Na"	23.996494
"1473998"	130.052447	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H+Na"	23.996494
"1065421"	87.03739	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2H+Na"	25.00377
"1268920"	269.141886	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+CH3OH+H"	33.033486
"389685"	511.179958	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+K"	38.963158
"751774"	747.288358	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+K"	38.963158
"1554557"	275.071558	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+K"	38.963158
"312823"	256.093617	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+H+K"	39.970434
"706338"	374.147817	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+H+K"	39.970434
"1455053"	138.039417	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H+K"	39.970434
"246937"	514.250626	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+ACN+H"	42.033826
"1219647"	278.142226	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+ACN+H"	42.033826
"1201706"	139.574751	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+ACN+2H"	43.041102
"191660"	517.18796	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+2Na-H"	44.97116
"631583"	753.29636	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+2Na-H"	44.97116
"1140566"	281.07956	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2Na-H"	44.97116
"183854"	259.097618	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+2Na"	45.978436
"623413"	377.151818	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+2Na"	45.978436
"1123274"	141.043418	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2Na"	45.978436
"1400965"	94.364704	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H+2Na"	46.985712
"1434904"	283.121146	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H+HCOOH"	47.012746
"223145"	264.13064	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+3H2O+2H"	56.04448
"1511205"	297.17319	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+IsoProp+H"	61.06479
"411627"	267.084588	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+Na+K"	61.952376
"771530"	385.138788	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+Na+K"	61.952376
"1676248"	149.030388	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Na+K"	61.952376
"260579"	536.232568	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+ACN+Na"	64.015768
"1239486"	300.124168	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+ACN+Na"	64.015768
"1726549"	300.147693	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+NH4+HCOOH"	64.039293
"1190811"	101.692018	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+3Na"	68.967654
"1663257"	305.103088	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Na+HCOOH"	68.994688
"170845"	549.13584	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+2K-H"	76.91904
"607127"	785.24424	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+2K-H"	76.91904
"1093826"	313.02744	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2K-H"	76.91904
"154287"	275.071558	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"2M+2K"	77.926316
"593847"	393.125758	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"3M+2K"	77.926316
"1082005"	157.017358	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2K"	77.926316
"1110477"	315.041992	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2K+H"	78.933592
"1344313"	315.129607	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+DMSO+H"	79.021207
"1016851"	319.168776	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2ACN+H"	83.060376
"1532058"	320.162408	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+IsoProp+Na+H"	84.054008
"1001788"	160.088026	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+2ACN+2H"	84.067652
"1596293"	321.077028	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+K+HCOOH"	84.968628
"1426326"	351.108538	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+H+CF3COOH"	115.000138
"1154429"	180.601301	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+3ACN+2H"	125.094202
"1708353"	368.135085	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+NH4+CF3COOH"	132.026685
"1642910"	373.09048	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+Na+CF3COOH"	136.98208
"1571995"	389.06442	"C07261"	"Octamethyltrisiloxane"	"C8H24O2Si3"	"236.1084"	"M+K+CF3COOH"	152.95602
"815125"	266.1168	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M"	0
"984650"	247.09841	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-H2O-H"	-19.01839
"70705"	176.403924	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M-3H"	-3.021828
"516826"	265.109524	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M-3H"	-3.021828
"895196"	87.698324	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-3H"	-3.021828
"10649"	265.109524	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M-2H"	-2.014552
"444013"	398.167924	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M-2H"	-2.014552
"824003"	132.051124	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-2H"	-2.014552
"81805"	531.226324	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M-H"	-1.007276
"519421"	797.343124	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M-H"	-1.007276
"900268"	265.109524	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-H"	-1.007276
"54641"	548.252871	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M-2H+NH4"	16.019271
"492015"	814.369671	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M-2H+NH4"	16.019271
"867629"	282.136071	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-2H+NH4"	16.019271
"37717"	553.208266	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M-2H+Na"	20.974666
"475090"	819.325066	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M-2H+Na"	20.974666
"850710"	287.091466	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-2H+Na"	20.974666
"1621338"	287.091466	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Na-2H"	20.974666
"96773"	283.097863	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M-H+Cl"	33.962126
"541801"	416.156263	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M-H+Cl"	33.962126
"928755"	150.039463	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-H+Cl"	33.962126
"267182"	567.203002	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+Cl"	34.969402
"660167"	833.319802	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+Cl"	34.969402
"1272995"	301.086202	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Cl"	34.969402
"19433"	569.182206	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M-2H+K"	36.948606
"457899"	835.299006	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M-2H+K"	36.948606
"833878"	303.065406	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-2H+K"	36.948606
"1558460"	303.065406	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+K-2H"	36.948606
"947804"	311.114994	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-H+HCOOH"	44.998194
"363831"	577.231801	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+HCOOH-H"	44.998201
"346252"	591.247451	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+Hac-H"	59.013851
"1494353"	325.130651	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Hac-H"	59.013851
"959709"	333.096951	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-H+NaCOOH"	66.980151
"111532"	301.086202	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+2Cl"	69.938804
"552185"	434.144602	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+2Cl"	69.938804
"1024998"	168.027802	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2Cl"	69.938804
"1245303"	345.035685	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Br"	78.918885
"1305075"	347.091672	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Cl+HCOOH"	80.974872
"1320880"	369.073629	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Cl+NaCOOH"	102.956829
"913034"	379.102386	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M-H+CF3COOH"	112.985586
"1290837"	415.079064	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Cl+CF3COOH"	148.962264
"1368633"	231.104124	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H-2H2O"	-35.012676
"1388684"	249.1141	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H-H2O"	-17.0027
"289465"	533.240876	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+H"	1.007276
"679699"	799.357676	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+H"	1.007276
"1353863"	267.124076	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H"	1.007276
"126142"	267.124076	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+2H"	2.014552
"566351"	400.182476	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+2H"	2.014552
"1037578"	134.065676	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2H"	2.014552
"211762"	178.418476	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+3H"	3.021828
"651324"	267.124076	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+3H"	3.021828
"1170542"	89.712876	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+3H"	3.021828
"427253"	550.267423	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+NH4"	18.033823
"790436"	816.384223	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+NH4"	18.033823
"1682394"	284.150623	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+NH4"	18.033823
"336139"	275.6373495	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+H+NH4"	19.041099
"726375"	408.6957495	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+H+NH4"	19.041099
"1481289"	142.5789495	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H+NH4"	19.041099
"395594"	555.222818	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+Na"	22.989218
"760967"	821.339618	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+Na"	22.989218
"1612344"	289.106018	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Na"	22.989218
"318005"	278.115047	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+H+Na"	23.996494
"718089"	411.173447	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+H+Na"	23.996494
"1473744"	145.056647	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H+Na"	23.996494
"1066626"	97.04019	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2H+Na"	25.00377
"1267938"	299.150286	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+CH3OH+H"	33.033486
"389795"	571.196758	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+K"	38.963158
"751884"	837.313558	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+K"	38.963158
"1552847"	305.079958	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+K"	38.963158
"313299"	286.102017	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+H+K"	39.970434
"703532"	419.160417	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+H+K"	39.970434
"1459538"	153.043617	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H+K"	39.970434
"243767"	574.267426	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+ACN+H"	42.033826
"1216476"	308.150626	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+ACN+H"	42.033826
"1200723"	154.578951	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+ACN+2H"	43.041102
"194686"	577.20476	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+2Na-H"	44.97116
"629869"	843.32156	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+2Na-H"	44.97116
"1138488"	311.08796	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2Na-H"	44.97116
"183963"	289.106018	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+2Na"	45.978436
"622429"	422.164418	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+2Na"	45.978436
"1123749"	156.047618	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2Na"	45.978436
"1402171"	104.367504	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H+2Na"	46.985712
"1432827"	313.129546	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H+HCOOH"	47.012746
"224714"	294.13904	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+3H2O+2H"	56.04448
"1512042"	327.18159	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+IsoProp+H"	61.06479
"412830"	297.092988	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+Na+K"	61.952376
"774192"	430.151388	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+Na+K"	61.952376
"1677451"	164.034588	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Na+K"	61.952376
"261783"	596.249368	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+ACN+Na"	64.015768
"1238867"	330.132568	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+ACN+Na"	64.015768
"1725566"	330.156093	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+NH4+HCOOH"	64.039293
"1190193"	111.694818	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+3Na"	68.967654
"1660813"	335.111488	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Na+HCOOH"	68.994688
"169863"	609.15264	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+2K-H"	76.91904
"605050"	875.26944	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+2K-H"	76.91904
"1091749"	343.03584	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2K-H"	76.91904
"154031"	305.079958	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"2M+2K"	77.926316
"592497"	438.138358	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"3M+2K"	77.926316
"1079928"	172.021558	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2K"	77.926316
"1111316"	345.050392	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2K+H"	78.933592
"1345515"	345.138007	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+DMSO+H"	79.021207
"1018414"	349.177176	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2ACN+H"	83.060376
"1535448"	350.170808	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+IsoProp+Na+H"	84.054008
"1000805"	175.092226	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+2ACN+2H"	84.067652
"1596403"	351.085428	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+K+HCOOH"	84.968628
"1426436"	381.116938	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+H+CF3COOH"	115.000138
"1154539"	195.605501	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+3ACN+2H"	125.094202
"1708463"	398.143485	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+NH4+CF3COOH"	132.026685
"1643020"	403.09888	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+Na+CF3COOH"	136.98208
"1571862"	419.07282	"C07263"	"Nevirapine"	"C15H14N4O"	"266.1168"	"M+K+CF3COOH"	152.95602
"816328"	479.2056	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M"	0
"988040"	460.18721	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-H2O-H"	-19.01839
"73002"	318.463124	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M-3H"	-3.021828
"516935"	478.198324	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M-3H"	-3.021828
"894982"	158.727924	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-3H"	-3.021828
"14650"	478.198324	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M-2H"	-2.014552
"447403"	717.801124	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M-2H"	-2.014552
"825206"	238.595524	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-2H"	-2.014552
"83009"	957.403924	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M-H"	-1.007276
"522569"	1436.609524	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M-H"	-1.007276
"902564"	478.198324	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-H"	-1.007276
"53658"	974.430471	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M-2H+NH4"	16.019271
"488236"	1453.636071	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M-2H+NH4"	16.019271
"869925"	495.224871	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-2H+NH4"	16.019271
"37827"	979.385866	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M-2H+Na"	20.974666
"475200"	1458.591466	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M-2H+Na"	20.974666
"849727"	500.180266	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-2H+Na"	20.974666
"1621447"	500.180266	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Na-2H"	20.974666
"96883"	496.186663	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M-H+Cl"	33.962126
"538631"	735.789463	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M-H+Cl"	33.962126
"931051"	256.583863	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-H+Cl"	33.962126
"269243"	993.380602	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+Cl"	34.969402
"660202"	1472.586202	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+Cl"	34.969402
"1272871"	514.175002	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Cl"	34.969402
"18077"	995.359806	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M-2H+K"	36.948606
"455770"	1474.565406	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M-2H+K"	36.948606
"834716"	516.154206	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-2H+K"	36.948606
"1559300"	516.154206	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+K-2H"	36.948606
"954476"	524.203794	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-H+HCOOH"	44.998194
"366492"	1003.409401	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+HCOOH-H"	44.998201
"347455"	1017.425051	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+Hac-H"	59.013851
"1495191"	538.219451	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Hac-H"	59.013851
"962737"	546.185751	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-H+NaCOOH"	66.980151
"113833"	514.175002	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+2Cl"	69.938804
"551207"	753.777802	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+2Cl"	69.938804
"1021828"	274.572202	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2Cl"	69.938804
"1242861"	558.124485	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Br"	78.918885
"1304255"	560.180472	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Cl+HCOOH"	80.974872
"1320863"	582.162429	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Cl+NaCOOH"	102.956829
"915696"	592.191186	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M-H+CF3COOH"	112.985586
"1296414"	628.167864	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Cl+CF3COOH"	148.962264
"1368742"	444.192924	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H-2H2O"	-35.012676
"1392074"	462.2029	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H-H2O"	-17.0027
"295772"	959.418476	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+H"	1.007276
"685276"	1438.624076	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+H"	1.007276
"1360534"	480.212876	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H"	1.007276
"131237"	480.212876	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+2H"	2.014552
"568609"	719.815676	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+2H"	2.014552
"1037893"	240.610076	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2H"	2.014552
"209686"	320.477676	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+3H"	3.021828
"650340"	480.212876	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+3H"	3.021828
"1169559"	160.742476	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+3H"	3.021828
"433925"	976.445023	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+NH4"	18.033823
"791640"	1455.650623	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+NH4"	18.033823
"1684691"	497.239423	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+NH4"	18.033823
"337343"	488.7261495	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+H+NH4"	19.041099
"727578"	728.3289495	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+H+NH4"	19.041099
"1482493"	249.1233495	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H+NH4"	19.041099
"395706"	981.400418	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+Na"	22.989218
"761077"	1460.606018	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+Na"	22.989218
"1613549"	502.194818	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Na"	22.989218
"324677"	491.203847	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+H+Na"	23.996494
"718198"	730.806647	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+H+Na"	23.996494
"1472396"	251.601047	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H+Na"	23.996494
"1064181"	168.06979	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2H+Na"	25.00377
"1268048"	512.239086	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+CH3OH+H"	33.033486
"388812"	997.374358	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+K"	38.963158
"747619"	1476.579958	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+K"	38.963158
"1550765"	518.168758	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+K"	38.963158
"306845"	499.190817	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+H+K"	39.970434
"699267"	738.793617	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+H+K"	39.970434
"1455273"	259.588017	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H+K"	39.970434
"243877"	1000.445026	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+ACN+H"	42.033826
"1217678"	521.239426	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+ACN+H"	42.033826
"1199374"	261.123351	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+ACN+2H"	43.041102
"195525"	1003.38236	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+2Na-H"	44.97116
"635083"	1482.58796	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+2Na-H"	44.97116
"1137505"	524.17676	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2Na-H"	44.97116
"183709"	502.194818	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+2Na"	45.978436
"622540"	741.797618	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+2Na"	45.978436
"1124953"	262.592018	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2Na"	45.978436
"1401915"	175.397104	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H+2Na"	46.985712
"1432207"	526.218346	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H+HCOOH"	47.012746
"220444"	507.22784	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+3H2O+2H"	56.04448
"1511425"	540.27039	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+IsoProp+H"	61.06479
"409658"	510.181788	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+Na+K"	61.952376
"770007"	749.784588	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+Na+K"	61.952376
"1673188"	270.578988	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Na+K"	61.952376
"257518"	1022.426968	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+ACN+Na"	64.015768
"1233144"	543.221368	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+ACN+Na"	64.015768
"1722762"	543.244893	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+NH4+HCOOH"	64.039293
"1184835"	182.724418	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+3Na"	68.967654
"1657645"	548.200288	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Na+HCOOH"	68.994688
"166328"	1035.33024	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+2K-H"	76.91904
"601150"	1514.53584	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+2K-H"	76.91904
"1090765"	556.12464	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2K-H"	76.91904
"151953"	518.168758	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"2M+2K"	77.926316
"589325"	757.771558	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"3M+2K"	77.926316
"1077119"	278.565958	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2K"	77.926316
"1109967"	558.139192	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2K+H"	78.933592
"1343438"	558.226807	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+DMSO+H"	79.021207
"1015242"	562.265976	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2ACN+H"	83.060376
"1531183"	563.259608	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+IsoProp+Na+H"	84.054008
"999819"	281.636626	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+2ACN+2H"	84.067652
"1594325"	564.174228	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+K+HCOOH"	84.968628
"1424359"	594.205738	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+H+CF3COOH"	115.000138
"1157927"	302.149901	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+3ACN+2H"	125.094202
"1708573"	611.232285	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+NH4+CF3COOH"	132.026685
"1643130"	616.18768	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+Na+CF3COOH"	136.98208
"1571487"	632.16162	"C07264"	"Nicardipine"	"C26H29N3O6"	"479.2056"	"M+K+CF3COOH"	152.95602
"815708"	346.1165	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M"	0
"988150"	327.09811	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-H2O-H"	-19.01839
"76028"	229.737057333333	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M-3H"	-3.021828
"514859"	345.109224	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M-3H"	-3.021828
"892661"	114.364890666667	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-3H"	-3.021828
"12330"	345.109224	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M-2H"	-2.014552
"447513"	518.167474	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M-2H"	-2.014552
"825316"	172.050974	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-2H"	-2.014552
"82027"	691.225724	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M-H"	-1.007276
"521587"	1037.342224	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M-H"	-1.007276
"904862"	345.109224	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-H"	-1.007276
"51582"	708.252271	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M-2H+NH4"	16.019271
"487979"	1054.368771	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M-2H+NH4"	16.019271
"866756"	362.135771	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-2H+NH4"	16.019271
"36844"	713.207666	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M-2H+Na"	20.974666
"474217"	1059.324166	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M-2H+Na"	20.974666
"849837"	367.091166	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-2H+Na"	20.974666
"1620828"	367.091166	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Na-2H"	20.974666
"97357"	363.097563	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M-H+Cl"	33.962126
"538741"	536.155813	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M-H+Cl"	33.962126
"928609"	190.039313	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-H+Cl"	33.962126
"269353"	727.202402	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+Cl"	34.969402
"661041"	1073.318902	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+Cl"	34.969402
"1273923"	381.085902	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Cl"	34.969402
"16728"	729.181606	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M-2H+K"	36.948606
"456287"	1075.298106	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M-2H+K"	36.948606
"834461"	383.065106	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-2H+K"	36.948606
"1560139"	383.065106	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+K-2H"	36.948606
"954587"	391.114694	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-H+HCOOH"	44.998194
"366238"	737.231201	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+HCOOH-H"	44.998201
"347928"	751.246851	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+Hac-H"	59.013851
"1495304"	405.130351	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Hac-H"	59.013851
"962848"	413.096651	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-H+NaCOOH"	66.980151
"115037"	381.085902	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+2Cl"	69.938804
"553869"	554.144152	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+2Cl"	69.938804
"1023761"	208.027652	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2Cl"	69.938804
"1243337"	425.035385	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Br"	78.918885
"1304488"	427.091372	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Cl+HCOOH"	80.974872
"1322919"	449.073329	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Cl+NaCOOH"	102.956829
"913254"	459.102086	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M-H+CF3COOH"	112.985586
"1293608"	495.078764	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Cl+CF3COOH"	148.962264
"1367349"	311.103824	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H-2H2O"	-35.012676
"1392184"	329.1138	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H-H2O"	-17.0027
"295881"	693.240276	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+H"	1.007276
"686479"	1039.356776	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+H"	1.007276
"1361738"	347.123776	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H"	1.007276
"133534"	347.123776	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+2H"	2.014552
"569813"	520.182026	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+2H"	2.014552
"1041895"	174.065526	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2H"	2.014552
"215264"	231.751609333333	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+3H"	3.021828
"651543"	347.123776	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+3H"	3.021828
"1166389"	116.379442666667	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+3H"	3.021828
"432942"	710.266823	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+NH4"	18.033823
"790657"	1056.383323	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+NH4"	18.033823
"1683708"	364.150323	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+NH4"	18.033823
"336360"	355.6370495	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+H+NH4"	19.041099
"728782"	528.6952995	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+H+NH4"	19.041099
"1485884"	182.5787995	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H+NH4"	19.041099
"396909"	715.222218	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+Na"	22.989218
"763372"	1061.338718	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+Na"	22.989218
"1610380"	369.105718	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Na"	22.989218
"322600"	358.114747	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+H+Na"	23.996494
"716122"	531.172997	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+H+Na"	23.996494
"1475908"	185.056497	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H+Na"	23.996494
"1067935"	123.706756666667	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2H+Na"	25.00377
"1271436"	379.149986	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+CH3OH+H"	33.033486
"387465"	731.196158	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+K"	38.963158
"749914"	1077.312658	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+K"	38.963158
"1551968"	385.079658	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+K"	38.963158
"310234"	366.101717	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+H+K"	39.970434
"701563"	539.159967	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+H+K"	39.970434
"1457569"	193.043467	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H+K"	39.970434
"245079"	734.266826	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+ACN+H"	42.033826
"1214507"	388.150326	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+ACN+H"	42.033826
"1203857"	194.578801	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+ACN+2H"	43.041102
"192719"	737.20416	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+2Na-H"	44.97116
"631912"	1083.32066	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+2Na-H"	44.97116
"1135420"	391.08766	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2Na-H"	44.97116
"183090"	369.105718	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+2Na"	45.978436
"620461"	542.163968	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+2Na"	45.978436
"1122146"	196.047468	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2Na"	45.978436
"1399715"	131.034070666667	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H+2Na"	46.985712
"1431224"	393.129246	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H+HCOOH"	47.012746
"220157"	374.13874	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+3H2O+2H"	56.04448
"1508586"	407.18129	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+IsoProp+H"	61.06479
"410133"	377.092688	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+Na+K"	61.952376
"771130"	550.150938	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+Na+K"	61.952376
"1675485"	204.034438	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Na+K"	61.952376
"257628"	756.248768	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+ACN+Na"	64.015768
"1233620"	410.132268	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+ACN+Na"	64.015768
"1723599"	410.155793	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+NH4+HCOOH"	64.039293
"1188954"	138.361384666667	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+3Na"	68.967654
"1658847"	415.111188	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Na+HCOOH"	68.994688
"166802"	769.15204	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+2K-H"	76.91904
"607458"	1115.26854	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+2K-H"	76.91904
"1090876"	423.03554	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2K-H"	76.91904
"151335"	385.079658	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"2M+2K"	77.926316
"583238"	558.137908	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"3M+2K"	77.926316
"1070667"	212.021408	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2K"	77.926316
"1104970"	425.050092	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2K+H"	78.933592
"1346823"	425.137707	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+DMSO+H"	79.021207
"1015351"	429.176876	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2ACN+H"	83.060376
"1530200"	430.170508	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+IsoProp+Na+H"	84.054008
"999928"	215.092076	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+2ACN+2H"	84.067652
"1596621"	431.085128	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+K+HCOOH"	84.968628
"1425562"	461.116638	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+H+CF3COOH"	115.000138
"1156944"	235.605351	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+3ACN+2H"	125.094202
"1702121"	478.143185	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+NH4+CF3COOH"	132.026685
"1643240"	483.09858	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+Na+CF3COOH"	136.98208
"1571963"	499.07252	"C07266"	"Nifedipine"	"C17H18N2O6"	"346.1165"	"M+K+CF3COOH"	152.95602
"816551"	418.174	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M"	0
"988260"	399.15561	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-H2O-H"	-19.01839
"74317"	277.775390666667	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M-3H"	-3.021828
"514972"	417.166724	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M-3H"	-3.021828
"891681"	138.384057333333	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-3H"	-3.021828
"12440"	417.166724	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M-2H"	-2.014552
"449812"	626.253724	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M-2H"	-2.014552
"825425"	208.079724	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-2H"	-2.014552
"79706"	835.340724	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M-H"	-1.007276
"519879"	1253.514724	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M-H"	-1.007276
"898047"	417.166724	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-H"	-1.007276
"53880"	852.367271	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M-2H+NH4"	16.019271
"491255"	1270.541271	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M-2H+NH4"	16.019271
"866869"	434.193271	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-2H+NH4"	16.019271
"34889"	857.322666	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M-2H+Na"	20.974666
"475422"	1275.496666	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M-2H+Na"	20.974666
"856511"	439.148666	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-2H+Na"	20.974666
"1622763"	439.148666	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Na-2H"	20.974666
"100385"	435.155063	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M-H+Cl"	33.962126
"535690"	644.242063	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M-H+Cl"	33.962126
"929448"	226.068063	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-H+Cl"	33.962126
"268000"	871.317402	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+Cl"	34.969402
"661399"	1289.491402	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+Cl"	34.969402
"1273185"	453.143402	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Cl"	34.969402
"18303"	873.296606	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M-2H+K"	36.948606
"464428"	1291.470606	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M-2H+K"	36.948606
"842230"	455.122606	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-2H+K"	36.948606
"1567544"	455.122606	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+K-2H"	36.948606
"951415"	463.172194	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-H+HCOOH"	44.998194
"367442"	881.346201	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+HCOOH-H"	44.998201
"347678"	895.361851	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+Hac-H"	59.013851
"1495049"	477.187851	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Hac-H"	59.013851
"960403"	485.154151	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-H+NaCOOH"	66.980151
"115146"	453.143402	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+2Cl"	69.938804
"553250"	662.230402	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+2Cl"	69.938804
"1027154"	244.056402	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2Cl"	69.938804
"1246002"	497.092885	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Br"	78.918885
"1309541"	499.148872	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Cl+HCOOH"	80.974872
"1320393"	521.130829	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Cl+NaCOOH"	102.956829
"918835"	531.159586	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M-H+CF3COOH"	112.985586
"1296636"	567.136264	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Cl+CF3COOH"	148.962264
"1378079"	383.161324	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H-2H2O"	-35.012676
"1397766"	401.1713	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H-H2O"	-17.0027
"294169"	837.355276	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+H"	1.007276
"685496"	1255.529276	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+H"	1.007276
"1360755"	419.181276	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H"	1.007276
"127084"	419.181276	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+2H"	2.014552
"568831"	628.268276	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+2H"	2.014552
"1045286"	210.094276	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2H"	2.014552
"215374"	279.789942666667	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+3H"	3.021828
"651654"	419.181276	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+3H"	3.021828
"1170876"	140.398609333333	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+3H"	3.021828
"433057"	854.381823	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+NH4"	18.033823
"794050"	1272.555823	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+NH4"	18.033823
"1689287"	436.207823	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+NH4"	18.033823
"334286"	427.6945495	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+H+NH4"	19.041099
"732178"	636.7815495	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+H+NH4"	19.041099
"1482718"	218.6075495	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H+NH4"	19.041099
"402491"	859.337218	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+Na"	22.989218
"766766"	1277.511218	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+Na"	22.989218
"1611584"	441.163218	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Na"	22.989218
"318341"	430.172247	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+H+Na"	23.996494
"716237"	639.259247	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+H+Na"	23.996494
"1475532"	221.085247	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H+Na"	23.996494
"1067926"	147.725923333333	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2H+Na"	25.00377
"1272037"	451.207486	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+CH3OH+H"	33.033486
"391581"	875.311158	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+K"	38.963158
"750022"	1293.485158	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+K"	38.963158
"1548795"	457.137158	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+K"	38.963158
"307063"	438.159217	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+H+K"	39.970434
"704952"	647.246217	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+H+K"	39.970434
"1457313"	229.072217	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H+K"	39.970434
"245189"	878.381826	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+ACN+H"	42.033826
"1214617"	460.207826	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+ACN+H"	42.033826
"1202873"	230.607551	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+ACN+2H"	43.041102
"197933"	881.31916	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+2Na-H"	44.97116
"637493"	1299.49316	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+2Na-H"	44.97116
"1135530"	463.14516	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2Na-H"	44.97116
"182107"	441.163218	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+2Na"	45.978436
"619479"	650.250218	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+2Na"	45.978436
"1122986"	232.076218	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2Na"	45.978436
"1400432"	155.053237333333	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H+2Na"	46.985712
"1431576"	465.186746	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H+HCOOH"	47.012746
"221393"	446.19624	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+3H2O+2H"	56.04448
"1509332"	479.23879	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+IsoProp+H"	61.06479
"410972"	449.150188	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+Na+K"	61.952376
"770875"	658.237188	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+Na+K"	61.952376
"1675595"	240.063188	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Na+K"	61.952376
"257738"	900.363768	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+ACN+Na"	64.015768
"1233730"	482.189768	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+ACN+Na"	64.015768
"1720429"	482.213293	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+NH4+HCOOH"	64.039293
"1187608"	162.380551333333	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+3Na"	68.967654
"1655677"	487.168688	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Na+HCOOH"	68.994688
"166912"	913.26704	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+2K-H"	76.91904
"603193"	1331.44104	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+2K-H"	76.91904
"1090986"	495.09304	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2K-H"	76.91904
"150715"	457.137158	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"2M+2K"	77.926316
"583348"	666.224158	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"3M+2K"	77.926316
"1071870"	248.050158	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2K"	77.926316
"1108359"	497.107592	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2K+H"	78.933592
"1345840"	497.195207	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+DMSO+H"	79.021207
"1016555"	501.234376	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2ACN+H"	83.060376
"1533589"	502.228008	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+IsoProp+Na+H"	84.054008
"1000040"	251.120826	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+2ACN+2H"	84.067652
"1594544"	503.142628	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+K+HCOOH"	84.968628
"1423485"	533.174138	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+H+CF3COOH"	115.000138
"1150493"	271.634101	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+3ACN+2H"	125.094202
"1697127"	550.200685	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+NH4+CF3COOH"	132.026685
"1636789"	555.15608	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+Na+CF3COOH"	136.98208
"1573531"	571.13002	"C07267"	"Nimodipine"	"C21H26N2O7"	"418.174"	"M+K+CF3COOH"	152.95602
"814835"	238.0338	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M"	0
"987277"	219.01541	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-H2O-H"	-19.01839
"75520"	157.681924	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M-3H"	-3.021828
"513988"	237.026524	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M-3H"	-3.021828
"889601"	78.337324	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-3H"	-3.021828
"13279"	237.026524	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M-2H"	-2.014552
"449922"	356.043424	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M-2H"	-2.014552
"822255"	118.009624	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-2H"	-2.014552
"82249"	475.060324	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M-H"	-1.007276
"521811"	713.094124	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M-H"	-1.007276
"898886"	237.026524	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-H"	-1.007276
"52897"	492.086871	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M-2H+NH4"	16.019271
"491365"	730.120671	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M-2H+NH4"	16.019271
"868072"	254.053071	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-2H+NH4"	16.019271
"34877"	497.042266	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M-2H+Na"	20.974666
"474438"	735.076066	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M-2H+Na"	20.974666
"856621"	259.008466	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-2H+Na"	20.974666
"1620686"	259.008466	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Na-2H"	20.974666
"97215"	255.014863	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M-H+Cl"	33.962126
"535316"	374.031763	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M-H+Cl"	33.962126
"928219"	135.997963	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-H+Cl"	33.962126
"267627"	511.037002	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+Cl"	34.969402
"661509"	749.070802	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+Cl"	34.969402
"1273053"	273.003202	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Cl"	34.969402
"16587"	513.016206	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M-2H+K"	36.948606
"464538"	751.050006	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M-2H+K"	36.948606
"843433"	274.982406	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-2H+K"	36.948606
"1562550"	274.982406	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+K-2H"	36.948606
"948244"	283.031994	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-H+HCOOH"	44.998194
"363905"	521.065801	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+HCOOH-H"	44.998201
"347788"	535.081451	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+Hac-H"	59.013851
"1494797"	297.047651	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Hac-H"	59.013851
"960148"	305.013951	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-H+NaCOOH"	66.980151
"112704"	273.003202	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+2Cl"	69.938804
"551899"	392.020102	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+2Cl"	69.938804
"1023250"	153.986302	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2Cl"	69.938804
"1242464"	316.952685	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Br"	78.918885
"1310380"	319.008672	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Cl+HCOOH"	80.974872
"1321679"	340.990629	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Cl+NaCOOH"	102.956829
"915664"	351.019386	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M-H+CF3COOH"	112.985586
"1299663"	386.996064	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Cl+CF3COOH"	148.962264
"1370896"	203.021124	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H-2H2O"	-35.012676
"1389127"	221.0311	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H-H2O"	-17.0027
"295009"	477.074876	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+H"	1.007276
"682327"	715.108676	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+H"	1.007276
"1356492"	239.041076	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H"	1.007276
"129380"	239.041076	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+2H"	2.014552
"568941"	358.057976	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+2H"	2.014552
"1046490"	120.024176	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2H"	2.014552
"215485"	159.696476	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+3H"	3.021828
"650672"	239.041076	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+3H"	3.021828
"1172081"	80.351876	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+3H"	3.021828
"433167"	494.101423	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+NH4"	18.033823
"795253"	732.135223	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+NH4"	18.033823
"1689397"	256.067623	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+NH4"	18.033823
"337675"	247.5543495	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+H+NH4"	19.041099
"732282"	366.5712495	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+H+NH4"	19.041099
"1482098"	128.5374495	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H+NH4"	19.041099
"402600"	499.056818	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+Na"	22.989218
"765783"	737.090618	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+Na"	22.989218
"1610600"	261.023018	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Na"	22.989218
"320636"	250.032047	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+H+Na"	23.996494
"715254"	369.048947	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+H+Na"	23.996494
"1473452"	131.015147	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H+Na"	23.996494
"1067063"	87.67919	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2H+Na"	25.00377
"1269476"	271.067286	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+CH3OH+H"	33.033486
"387686"	515.030758	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+K"	38.963158
"750133"	753.064558	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+K"	38.963158
"1551092"	276.996958	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+K"	38.963158
"312641"	258.019017	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+H+K"	39.970434
"705428"	377.035917	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+H+K"	39.970434
"1457061"	139.002117	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H+K"	39.970434
"243112"	518.101426	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+ACN+H"	42.033826
"1214727"	280.067626	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+ACN+H"	42.033826
"1201890"	140.537451	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+ACN+2H"	43.041102
"195856"	521.03876	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+2Na-H"	44.97116
"638696"	759.07256	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+2Na-H"	44.97116
"1135640"	283.00496	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2Na-H"	44.97116
"183310"	261.023018	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+2Na"	45.978436
"619589"	380.039918	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+2Na"	45.978436
"1120908"	142.006118	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2Na"	45.978436
"1399449"	95.006504	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H+2Na"	46.985712
"1431564"	285.046546	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H+HCOOH"	47.012746
"221503"	266.05604	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+3H2O+2H"	56.04448
"1509199"	299.09859	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+IsoProp+H"	61.06479
"411811"	269.009988	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+Na+K"	61.952376
"772079"	388.026888	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+Na+K"	61.952376
"1675705"	149.993088	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Na+K"	61.952376
"254932"	540.083368	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+ACN+Na"	64.015768
"1232747"	302.049568	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+ACN+Na"	64.015768
"1720539"	302.073093	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+NH4+HCOOH"	64.039293
"1185893"	102.333818	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+3Na"	68.967654
"1659066"	307.028488	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Na+HCOOH"	68.994688
"167750"	552.98664	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+2K-H"	76.91904
"605489"	791.02044	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+2K-H"	76.91904
"1091095"	314.95284	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2K-H"	76.91904
"147909"	276.996958	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"2M+2K"	77.926316
"583094"	396.013858	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"3M+2K"	77.926316
"1070887"	157.980058	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2K"	77.926316
"1108469"	316.967392	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2K+H"	78.933592
"1344857"	317.055007	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+DMSO+H"	79.021207
"1015571"	321.094176	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2ACN+H"	83.060376
"1531514"	322.087808	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+IsoProp+Na+H"	84.054008
"1000150"	161.050726	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+2ACN+2H"	84.067652
"1593560"	323.002428	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+K+HCOOH"	84.968628
"1423596"	353.033938	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+H+CF3COOH"	115.000138
"1149510"	181.564001	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+3ACN+2H"	125.094202
"1697722"	370.060485	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+NH4+CF3COOH"	132.026685
"1636899"	375.01588	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+Na+CF3COOH"	136.98208
"1571492"	390.98982	"C07268"	"Nitrofurantoin"	"C8H6N4O5"	"238.0338"	"M+K+CF3COOH"	152.95602
"813852"	215.9483	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M"	0
"988118"	196.92991	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-H2O-H"	-19.01839
"75631"	142.958257333333	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M-3H"	-3.021828
"513006"	214.941024	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M-3H"	-3.021828
"888619"	70.9754906666667	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-3H"	-3.021828
"11567"	214.941024	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M-2H"	-2.014552
"450032"	322.915174	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M-2H"	-2.014552
"822365"	106.966874	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-2H"	-2.014552
"81266"	430.889324	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M-H"	-1.007276
"519730"	646.837624	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M-H"	-1.007276
"901182"	214.941024	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-H"	-1.007276
"55194"	447.915871	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M-2H+NH4"	16.019271
"487464"	663.864171	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M-2H+NH4"	16.019271
"869276"	231.967571	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-2H+NH4"	16.019271
"34988"	452.871266	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M-2H+Na"	20.974666
"473455"	668.819566	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M-2H+Na"	20.974666
"856731"	236.922966	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-2H+Na"	20.974666
"1621160"	236.922966	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Na-2H"	20.974666
"97325"	232.929363	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M-H+Cl"	33.962126
"535668"	340.903513	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M-H+Cl"	33.962126
"930398"	124.955213	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-H+Cl"	33.962126
"267247"	466.866002	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+Cl"	34.969402
"661741"	682.814302	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+Cl"	34.969402
"1273414"	250.917702	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Cl"	34.969402
"18158"	468.845206	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M-2H+K"	36.948606
"455808"	684.793506	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M-2H+K"	36.948606
"833697"	252.896906	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-2H+K"	36.948606
"1557558"	252.896906	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+K-2H"	36.948606
"945076"	260.946494	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-H+HCOOH"	44.998194
"365479"	476.894801	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+HCOOH-H"	44.998201
"347169"	490.910451	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+Hac-H"	59.013851
"1493447"	274.962151	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Hac-H"	59.013851
"958800"	282.928451	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-H+NaCOOH"	66.980151
"110380"	250.917702	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+2Cl"	69.938804
"550304"	358.891852	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+2Cl"	69.938804
"1025183"	142.943552	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2Cl"	69.938804
"1241844"	294.867185	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Br"	78.918885
"1307208"	296.923172	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Cl+HCOOH"	80.974872
"1324348"	318.905129	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Cl+NaCOOH"	102.956829
"915774"	328.933886	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M-H+CF3COOH"	112.985586
"1301960"	364.910564	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Cl+CF3COOH"	148.962264
"1372830"	180.935624	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H-2H2O"	-35.012676
"1385959"	198.9456	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H-H2O"	-17.0027
"288925"	432.903876	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+H"	1.007276
"687907"	648.852176	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+H"	1.007276
"1359883"	216.955576	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H"	1.007276
"131677"	216.955576	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+2H"	2.014552
"569051"	324.929726	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+2H"	2.014552
"1044417"	108.981426	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2H"	2.014552
"214505"	144.972809333333	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+3H"	3.021828
"655158"	216.955576	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+3H"	3.021828
"1173284"	72.9900426666667	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+3H"	3.021828
"434370"	449.930423	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+NH4"	18.033823
"794270"	665.878723	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+NH4"	18.033823
"1687321"	233.982123	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+NH4"	18.033823
"335597"	225.4688495	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+H+NH4"	19.041099
"731299"	333.4429995	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+H+NH4"	19.041099
"1482936"	117.4946995	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H+NH4"	19.041099
"400523"	454.885818	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+Na"	22.989218
"762612"	670.834118	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+Na"	22.989218
"1611803"	238.937518	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Na"	22.989218
"320745"	227.946547	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+H+Na"	23.996494
"709896"	335.920697	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+H+Na"	23.996494
"1471379"	119.972397	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H+Na"	23.996494
"1062437"	80.3173566666667	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2H+Na"	25.00377
"1267033"	248.981786	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+CH3OH+H"	33.033486
"385975"	470.859758	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+K"	38.963158
"749882"	686.808058	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+K"	38.963158
"1550110"	254.911458	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+K"	38.963158
"313726"	235.933517	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+H+K"	39.970434
"705174"	343.907667	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+H+K"	39.970434
"1455713"	127.959367	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H+K"	39.970434
"243222"	473.930426	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+ACN+H"	42.033826
"1218118"	257.982126	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+ACN+H"	42.033826
"1202003"	129.494701	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+ACN+2H"	43.041102
"198154"	476.86776	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+2Na-H"	44.97116
"637714"	692.81606	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+2Na-H"	44.97116
"1134655"	260.91946	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2Na-H"	44.97116
"180142"	238.937518	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+2Na"	45.978436
"623710"	346.911668	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+2Na"	45.978436
"1118466"	130.963368	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2Na"	45.978436
"1400895"	87.6446706666667	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H+2Na"	46.985712
"1431554"	262.961046	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H+HCOOH"	47.012746
"223073"	243.97054	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+3H2O+2H"	56.04448
"1511502"	277.01309	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+IsoProp+H"	61.06479
"409726"	246.924488	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+Na+K"	61.952376
"771823"	354.898638	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+Na+K"	61.952376
"1670711"	138.950338	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Na+K"	61.952376
"255770"	495.912368	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+ACN+Na"	64.015768
"1229939"	279.964068	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+ACN+Na"	64.015768
"1718462"	279.987593	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+NH4+HCOOH"	64.039293
"1190013"	94.9719846666667	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+3Na"	68.967654
"1659176"	284.942988	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Na+HCOOH"	68.994688
"169319"	508.81564	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+2K-H"	76.91904
"605596"	724.76394	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+2K-H"	76.91904
"1093392"	292.86734	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2K-H"	76.91904
"153122"	254.911458	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"2M+2K"	77.926316
"586484"	362.885608	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"3M+2K"	77.926316
"1072090"	146.937308	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2K"	77.926316
"1108579"	294.881892	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2K+H"	78.933592
"1346061"	294.969507	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+DMSO+H"	79.021207
"1015681"	299.008676	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2ACN+H"	83.060376
"1533809"	300.002308	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+IsoProp+Na+H"	84.054008
"1001355"	150.007976	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+2ACN+2H"	84.067652
"1596951"	300.916928	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+K+HCOOH"	84.968628
"1424799"	330.948438	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+H+CF3COOH"	115.000138
"1151806"	170.521251	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+3ACN+2H"	125.094202
"1699535"	347.974985	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+NH4+CF3COOH"	132.026685
"1637009"	352.93038	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+Na+CF3COOH"	136.98208
"1571805"	368.90432	"C07269"	"Nitroprusside;Pentacyanidonitrosylferrate(2-)"	"C5FeN6O"	"215.9483"	"M+K+CF3COOH"	152.95602
"813962"	331.1137	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M"	0
"986405"	312.09531	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-H2O-H"	-19.01839
"75741"	219.735190666667	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M-3H"	-3.021828
"509836"	330.106424	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M-3H"	-3.021828
"888730"	109.363957333333	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-3H"	-3.021828
"10583"	330.106424	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M-2H"	-2.014552
"449050"	495.663274	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M-2H"	-2.014552
"825755"	164.549574	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-2H"	-2.014552
"80283"	661.220124	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M-H"	-1.007276
"518866"	992.333824	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M-H"	-1.007276
"906396"	330.106424	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-H"	-1.007276
"55305"	678.246671	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M-2H+NH4"	16.019271
"491583"	1009.360371	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M-2H+NH4"	16.019271
"869385"	347.132971	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-2H+NH4"	16.019271
"34003"	683.202066	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M-2H+Na"	20.974666
"472472"	1014.315766	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M-2H+Na"	20.974666
"855748"	352.088366	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-2H+Na"	20.974666
"1624187"	352.088366	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Na-2H"	20.974666
"100716"	348.094763	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M-H+Cl"	33.962126
"535901"	513.651613	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M-H+Cl"	33.962126
"931602"	182.537913	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-H+Cl"	33.962126
"271619"	697.196802	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+Cl"	34.969402
"663309"	1028.310502	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+Cl"	34.969402
"1274982"	366.083102	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Cl"	34.969402
"18268"	699.176006	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M-2H+K"	36.948606
"455998"	1030.289706	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M-2H+K"	36.948606
"835630"	368.062306	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-2H+K"	36.948606
"1557304"	368.062306	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+K-2H"	36.948606
"945187"	376.111894	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-H+HCOOH"	44.998194
"361943"	707.225601	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+HCOOH-H"	44.998201
"345940"	721.241251	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+Hac-H"	59.013851
"1492988"	390.127551	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Hac-H"	59.013851
"958494"	398.093851	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-H+NaCOOH"	66.980151
"110002"	366.083102	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+2Cl"	69.938804
"550002"	531.639952	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+2Cl"	69.938804
"1025293"	200.526252	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2Cl"	69.938804
"1242684"	410.032585	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Br"	78.918885
"1304927"	412.088572	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Cl+HCOOH"	80.974872
"1321050"	434.070529	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Cl+NaCOOH"	102.956829
"918070"	444.099286	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M-H+CF3COOH"	112.985586
"1291497"	480.075964	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Cl+CF3COOH"	148.962264
"1372211"	296.101024	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H-2H2O"	-35.012676
"1389349"	314.111	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H-H2O"	-17.0027
"292315"	663.234676	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+H"	1.007276
"682548"	994.348376	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+H"	1.007276
"1359993"	332.120976	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H"	1.007276
"129600"	332.120976	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+2H"	2.014552
"569161"	497.677826	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+2H"	2.014552
"1044525"	166.564126	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2H"	2.014552
"213522"	221.749742666667	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+3H"	3.021828
"655268"	332.120976	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+3H"	3.021828
"1173394"	111.378509333333	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+3H"	3.021828
"434480"	680.261223	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+NH4"	18.033823
"795473"	1011.374923	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+NH4"	18.033823
"1688526"	349.147523	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+NH4"	18.033823
"335707"	340.6342495	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+H+NH4"	19.041099
"732502"	506.1910995	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+H+NH4"	19.041099
"1481953"	175.0773995	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H+NH4"	19.041099
"399540"	685.216618	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+Na"	22.989218
"761629"	1016.330318	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+Na"	22.989218
"1610820"	354.102918	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Na"	22.989218
"320856"	343.111947	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+H+Na"	23.996494
"710730"	508.668797	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+H+Na"	23.996494
"1471489"	177.555097	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H+Na"	23.996494
"1062547"	118.705823333333	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2H+Na"	25.00377
"1262043"	364.147186	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+CH3OH+H"	33.033486
"383897"	701.190558	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+K"	38.963158
"749627"	1032.304258	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+K"	38.963158
"1550220"	370.076858	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+K"	38.963158
"310675"	351.098917	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+H+K"	39.970434
"702000"	516.655767	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+H+K"	39.970434
"1457279"	185.542067	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H+K"	39.970434
"245516"	704.261226	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+ACN+H"	42.033826
"1219321"	373.147526	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+ACN+H"	42.033826
"1202112"	187.077401	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+ACN+2H"	43.041102
"198263"	707.19856	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+2Na-H"	44.97116
"632354"	1038.31226	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+2Na-H"	44.97116
"1131476"	376.08486	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2Na-H"	44.97116
"182440"	354.102918	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+2Na"	45.978436
"623092"	519.659768	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+2Na"	45.978436
"1116392"	188.546068	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2Na"	45.978436
"1398822"	126.033137333333	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H+2Na"	46.985712
"1432396"	378.126446	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H+HCOOH"	47.012746
"222091"	359.13594	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+3H2O+2H"	56.04448
"1511248"	392.17849	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+IsoProp+H"	61.06479
"409107"	362.089888	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+Na+K"	61.952376
"770477"	527.646738	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+Na+K"	61.952376
"1669364"	196.533038	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Na+K"	61.952376
"253693"	726.243168	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+ACN+Na"	64.015768
"1229320"	395.129468	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+ACN+Na"	64.015768
"1720759"	395.152993	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+NH4+HCOOH"	64.039293
"1186114"	133.360451333333	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+3Na"	68.967654
"1654912"	400.108388	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Na+HCOOH"	68.994688
"165054"	739.14644	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+2K-H"	76.91904
"602426"	1070.26014	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+2K-H"	76.91904
"1091314"	408.03274	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2K-H"	76.91904
"147036"	370.076858	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"2M+2K"	77.926316
"589874"	535.633708	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"3M+2K"	77.926316
"1072201"	204.520008	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2K"	77.926316
"1107596"	410.047292	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2K+H"	78.933592
"1343983"	410.134907	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+DMSO+H"	79.021207
"1012515"	414.174076	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2ACN+H"	83.060376
"1531735"	415.167708	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+IsoProp+Na+H"	84.054008
"998186"	207.590676	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+2ACN+2H"	84.067652
"1595967"	416.082328	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+K+HCOOH"	84.968628
"1427096"	446.113838	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+H+CF3COOH"	115.000138
"1155197"	228.103951	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+3ACN+2H"	125.094202
"1702561"	463.140385	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+NH4+CF3COOH"	132.026685
"1643680"	468.09578	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+Na+CF3COOH"	136.98208
"1571796"	484.06972	"C07270"	"Nizatidine"	"C12H21N5O2S2"	"331.1137"	"M+K+CF3COOH"	152.95602
"814072"	152.1201	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M"	0
"986515"	133.10171	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"77675"	100.406124	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"514318"	151.112824	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"888839"	49.699424	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"11785"	151.112824	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"448066"	227.172874	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"825866"	75.052774	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"80393"	303.232924	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"519584"	455.353024	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"899944"	151.112824	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"55417"	320.259471	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"491693"	472.379571	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"869496"	168.139371	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"36300"	325.214866	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"475863"	477.334966	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"858045"	173.094766	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1626484"	173.094766	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"106294"	169.101163	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"540021"	245.161213	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"938274"	93.041113	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"273916"	339.209602	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"667793"	491.329702	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1278738"	187.089502	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"22023"	341.188806	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"460125"	493.308906	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"840478"	189.068706	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1558508"	189.068706	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"944564"	197.118294	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"363144"	349.238401	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"346335"	363.254051	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1493545"	211.133951	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"959385"	219.100251	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"110480"	187.089502	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"552594"	263.149552	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1027227"	111.029452	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1246441"	231.038985	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1306699"	233.094972	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1325295"	255.076929	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"914532"	265.105686	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1293064"	301.082364	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1375237"	117.107424	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1397843"	135.1174	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"298424"	305.247476	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"690071"	457.367576	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1365448"	153.127376	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H"	1.007276
"132990"	153.127376	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"575832"	229.187426	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1043542"	77.067326	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"215819"	102.420676	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"656472"	153.127376	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1175690"	51.713976	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"437506"	322.274023	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"797770"	474.394123	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1690822"	170.153923	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"340192"	161.6406495	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"731520"	237.7006995	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1483157"	85.5805995	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"400744"	327.229418	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"762832"	479.349518	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1612024"	175.109318	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"325339"	164.118347	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"711205"	240.178397	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1470508"	88.058297	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1059382"	59.04129	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1263247"	185.153586	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"385101"	343.203358	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"749374"	495.323458	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1550331"	191.083258	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K"	38.963158
"307506"	172.105317	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"702111"	248.165367	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1456660"	96.045267	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"245627"	346.274026	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1217245"	194.153926	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1203315"	97.580601	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"196187"	349.21136	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"631736"	501.33146	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1133417"	197.09126	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"184738"	175.109318	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"625024"	251.169368	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1124521"	99.049268	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1402943"	66.368604	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1433234"	199.132846	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"230948"	180.14234	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1513543"	213.18489	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"410676"	183.096288	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"770464"	259.156338	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1665822"	107.036238	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"253438"	368.255968	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1228336"	216.135868	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1714307"	216.159393	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1182213"	73.695918	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1652834"	221.114788	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"159331"	381.15924	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"599012"	533.27934	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1085958"	229.03914	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"146053"	191.083258	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"583424"	267.143308	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1070124"	115.023208	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1106613"	231.053692	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1340813"	231.141307	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1009345"	235.180476	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1529658"	236.174108	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"999388"	118.093876	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1593891"	237.088728	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1423927"	267.120238	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1155307"	138.607151	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1702671"	284.146785	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1643790"	289.10218	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1571784"	305.07612	"C07271"	"Limonene-12-epoxide;Limonene oxide;(4R)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"814181"	97.0164	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M"	0
"988812"	77.99801	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-H2O-H"	-19.01839
"75960"	63.670324	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M-3H"	-3.021828
"518032"	96.009124	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M-3H"	-3.021828
"891136"	31.331524	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-3H"	-3.021828
"9708"	96.009124	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M-2H"	-2.014552
"449268"	144.517324	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M-2H"	-2.014552
"827069"	47.500924	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-2H"	-2.014552
"83783"	193.025524	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M-H"	-1.007276
"523342"	290.041924	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M-H"	-1.007276
"905521"	96.009124	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-H"	-1.007276
"55524"	210.052071	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M-2H+NH4"	16.019271
"497271"	307.068471	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M-2H+NH4"	16.019271
"873978"	113.035671	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-2H+NH4"	16.019271
"37503"	215.007466	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M-2H+Na"	20.974666
"481439"	312.023866	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M-2H+Na"	20.974666
"858155"	117.991066	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-2H+Na"	20.974666
"1627688"	117.991066	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Na-2H"	20.974666
"104217"	113.997463	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M-H+Cl"	33.962126
"541589"	162.505663	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M-H+Cl"	33.962126
"937289"	65.489263	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-H+Cl"	33.962126
"275849"	229.002202	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+Cl"	34.969402
"667904"	326.018602	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+Cl"	34.969402
"1282857"	131.985802	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Cl"	34.969402
"23227"	230.981406	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M-2H+K"	36.948606
"459870"	327.997806	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M-2H+K"	36.948606
"841683"	133.965006	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-2H+K"	36.948606
"1560431"	133.965006	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+K-2H"	36.948606
"943583"	142.014594	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-H+HCOOH"	44.998194
"362890"	239.031001	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+HCOOH-H"	44.998201
"346770"	253.046651	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+Hac-H"	59.013851
"1495238"	156.030251	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Hac-H"	59.013851
"958683"	163.996551	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-H+NaCOOH"	66.980151
"110953"	131.985802	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+2Cl"	69.938804
"550635"	180.494002	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+2Cl"	69.938804
"1021988"	83.477602	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2Cl"	69.938804
"1243633"	175.935285	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Br"	78.918885
"1308269"	177.991272	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Cl+HCOOH"	80.974872
"1322489"	199.973229	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Cl+NaCOOH"	102.956829
"913915"	210.001986	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M-H+CF3COOH"	112.985586
"1291353"	245.978664	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Cl+CF3COOH"	148.962264
"1368055"	62.003724	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H-2H2O"	-35.012676
"1398199"	80.0137	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H-H2O"	-17.0027
"298010"	195.040076	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+H"	1.007276
"689328"	292.056476	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+H"	1.007276
"1365679"	98.023676	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H"	1.007276
"135286"	98.023676	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+2H"	2.014552
"575942"	146.531876	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+2H"	2.014552
"1043652"	49.515476	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2H"	2.014552
"215929"	65.684876	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+3H"	3.021828
"656582"	98.023676	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+3H"	3.021828
"1174707"	33.346076	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+3H"	3.021828
"438345"	212.066623	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+NH4"	18.033823
"797517"	309.083023	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+NH4"	18.033823
"1693849"	115.050223	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+NH4"	18.033823
"341761"	106.5369495	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+H+NH4"	19.041099
"735641"	155.0451495	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+H+NH4"	19.041099
"1485454"	58.0287495	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H+NH4"	19.041099
"401947"	217.022018	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+Na"	22.989218
"761849"	314.038418	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+Na"	22.989218
"1613228"	120.005618	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Na"	22.989218
"324357"	109.014647	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+H+Na"	23.996494
"712408"	157.522847	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+H+Na"	23.996494
"1467339"	60.506447	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H+Na"	23.996494
"1059492"	40.67339	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2H+Na"	25.00377
"1265544"	130.049886	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+CH3OH+H"	33.033486
"386305"	232.995958	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+K"	38.963158
"749485"	330.012358	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+K"	38.963158
"1552265"	135.979558	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+K"	38.963158
"311627"	117.001617	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+H+K"	39.970434
"703317"	165.509817	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+H+K"	39.970434
"1453858"	68.493417	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H+K"	39.970434
"242455"	236.066626	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+ACN+H"	42.033826
"1217353"	139.050226	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+ACN+H"	42.033826
"1200144"	70.028751	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+ACN+2H"	43.041102
"192650"	239.00396	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+2Na-H"	44.97116
"633304"	336.02036	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+2Na-H"	44.97116
"1135354"	141.98756	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2Na-H"	44.97116
"185212"	120.005618	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+2Na"	45.978436
"627564"	168.513818	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+2Na"	45.978436
"1126818"	71.497418	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2Na"	45.978436
"1404876"	48.000704	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H+2Na"	46.985712
"1439177"	144.029146	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H+HCOOH"	47.012746
"229964"	125.03864	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+3H2O+2H"	56.04448
"1515840"	158.08119	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+IsoProp+H"	61.06479
"411151"	127.992588	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+Na+K"	61.952376
"771422"	176.500788	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+Na+K"	61.952376
"1668122"	79.484388	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Na+K"	61.952376
"251966"	258.048568	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+ACN+Na"	64.015768
"1225688"	161.032168	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+ACN+Na"	64.015768
"1713805"	161.055693	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+NH4+HCOOH"	64.039293
"1180500"	55.328018	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+3Na"	68.967654
"1654039"	166.011088	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Na+HCOOH"	68.994688
"159809"	270.95184	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+2K-H"	76.91904
"597783"	367.96824	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+2K-H"	76.91904
"1089348"	173.93544	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2K-H"	76.91904
"146164"	135.979558	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"2M+2K"	77.926316
"587548"	184.487758	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"3M+2K"	77.926316
"1075341"	87.471358	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2K"	77.926316
"1106727"	175.949992	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2K+H"	78.933592
"1343110"	176.037607	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+DMSO+H"	79.021207
"1010545"	180.076776	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2ACN+H"	83.060376
"1533047"	181.070408	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+IsoProp+Na+H"	84.054008
"992934"	90.542026	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+2ACN+2H"	84.067652
"1592906"	181.985028	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+K+HCOOH"	84.968628
"1424034"	212.016538	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+H+CF3COOH"	115.000138
"1158698"	111.055301	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+3ACN+2H"	125.094202
"1702781"	229.043085	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+NH4+CF3COOH"	132.026685
"1643900"	233.99848	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+Na+CF3COOH"	136.98208
"1571530"	249.97242	"C07272"	"Maleimide;25-Pyrroledione"	"C4H3NO2"	"97.0164"	"M+K+CF3COOH"	152.95602
"814291"	99.032	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M"	0
"986735"	80.01361	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-H2O-H"	-19.01839
"74976"	65.0140573333333	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M-3H"	-3.021828
"516723"	98.024724	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M-3H"	-3.021828
"894523"	32.0033906666667	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-3H"	-3.021828
"7629"	98.024724	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M-2H"	-2.014552
"449378"	147.540724	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M-2H"	-2.014552
"823898"	48.508724	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-2H"	-2.014552
"83893"	197.056724	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M-H"	-1.007276
"519927"	296.088724	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M-H"	-1.007276
"905631"	98.024724	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-H"	-1.007276
"55634"	214.083271	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M-2H+NH4"	16.019271
"497381"	313.115271	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M-2H+NH4"	16.019271
"874088"	115.051271	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-2H+NH4"	16.019271
"38707"	219.038666	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M-2H+Na"	20.974666
"481549"	318.070666	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M-2H+Na"	20.974666
"859358"	120.006666	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-2H+Na"	20.974666
"1626704"	120.006666	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Na-2H"	20.974666
"104326"	116.013063	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M-H+Cl"	33.962126
"540605"	165.529063	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M-H+Cl"	33.962126
"936305"	66.497063	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-H+Cl"	33.962126
"275958"	233.033402	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+Cl"	34.969402
"669472"	332.065402	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+Cl"	34.969402
"1284061"	134.001402	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Cl"	34.969402
"22245"	235.012606	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M-2H+K"	36.948606
"458159"	334.044606	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M-2H+K"	36.948606
"839606"	135.980606	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-2H+K"	36.948606
"1559085"	135.980606	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+K-2H"	36.948606
"943692"	144.030194	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-H+HCOOH"	44.998194
"364460"	243.062201	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+HCOOH-H"	44.998201
"346519"	257.077851	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+Hac-H"	59.013851
"1492866"	158.045851	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Hac-H"	59.013851
"959118"	166.012151	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-H+NaCOOH"	66.980151
"110820"	134.001402	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+2Cl"	69.938804
"549977"	183.517402	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+2Cl"	69.938804
"1021733"	84.485402	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2Cl"	69.938804
"1241439"	177.950885	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Br"	78.918885
"1304854"	180.006872	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Cl+HCOOH"	80.974872
"1320776"	201.988829	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Cl+NaCOOH"	102.956829
"913296"	212.017586	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M-H+CF3COOH"	112.985586
"1288547"	247.994264	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Cl+CF3COOH"	148.962264
"1367270"	64.019324	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H-2H2O"	-35.012676
"1392960"	82.0293	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H-H2O"	-17.0027
"296777"	199.071276	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+H"	1.007276
"683972"	298.103276	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+H"	1.007276
"1363602"	100.039276	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H"	1.007276
"134303"	100.039276	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+2H"	2.014552
"576052"	149.555276	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+2H"	2.014552
"1044855"	50.523276	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2H"	2.014552
"218225"	67.0286093333333	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+3H"	3.021828
"654504"	100.039276	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+3H"	3.021828
"1174817"	34.0179426666667	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+3H"	3.021828
"438456"	216.097823	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+NH4"	18.033823
"796896"	315.129823	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+NH4"	18.033823
"1693961"	117.065823	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+NH4"	18.033823
"342235"	108.5525495	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+H+NH4"	19.041099
"736115"	158.0685495	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+H+NH4"	19.041099
"1490666"	59.0365495	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H+NH4"	19.041099
"402057"	221.053218	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+Na"	22.989218
"761959"	320.085218	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+Na"	22.989218
"1612245"	122.021218	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Na"	22.989218
"323374"	111.030247	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+H+Na"	23.996494
"711419"	160.546247	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+H+Na"	23.996494
"1471823"	61.514247	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H+Na"	23.996494
"1061789"	41.3452566666667	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2H+Na"	25.00377
"1265655"	132.065486	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+CH3OH+H"	33.033486
"390427"	237.027158	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+K"	38.963158
"748503"	336.059158	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+K"	38.963158
"1552740"	137.995158	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+K"	38.963158
"312102"	119.017217	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+H+K"	39.970434
"703429"	168.533217	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+H+K"	39.970434
"1456155"	69.501217	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H+K"	39.970434
"243663"	240.097826	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+ACN+H"	42.033826
"1220746"	141.065826	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+ACN+H"	42.033826
"1202442"	71.036551	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+ACN+2H"	43.041102
"196407"	243.03516	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+2Na-H"	44.97116
"633778"	342.06716	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+2Na-H"	44.97116
"1136192"	144.00316	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2Na-H"	44.97116
"187145"	122.021218	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+2Na"	45.978436
"624517"	171.537218	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+2Na"	45.978436
"1126927"	72.505218	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2Na"	45.978436
"1401340"	48.6725706666667	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H+2Na"	46.985712
"1438559"	146.044746	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H+HCOOH"	47.012746
"227890"	127.05424	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+3H2O+2H"	56.04448
"1514493"	160.09679	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+IsoProp+H"	61.06479
"413452"	130.008188	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+Na+K"	61.952376
"772268"	179.524188	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+Na+K"	61.952376
"1668235"	80.492188	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Na+K"	61.952376
"260225"	262.079768	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+ACN+Na"	64.015768
"1234391"	163.047768	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+ACN+Na"	64.015768
"1718905"	163.071293	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+NH4+HCOOH"	64.039293
"1187537"	55.9998846666667	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+3Na"	68.967654
"1655243"	168.026688	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Na+HCOOH"	68.994688
"166845"	274.98304	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+2K-H"	76.91904
"603852"	374.01504	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+2K-H"	76.91904
"1091645"	175.95104	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2K-H"	76.91904
"149553"	137.995158	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"2M+2K"	77.926316
"584738"	187.511158	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"3M+2K"	77.926316
"1076908"	88.479158	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2K"	77.926316
"1106836"	177.965592	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2K+H"	78.933592
"1341034"	178.053207	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+DMSO+H"	79.021207
"1012840"	182.092376	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2ACN+H"	83.060376
"1532064"	183.086008	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+IsoProp+Na+H"	84.054008
"993044"	91.549826	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+2ACN+2H"	84.067652
"1593016"	184.000628	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+K+HCOOH"	84.968628
"1424144"	214.032138	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+H+CF3COOH"	115.000138
"1159901"	112.063101	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+3ACN+2H"	125.094202
"1702891"	231.058685	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+NH4+CF3COOH"	132.026685
"1644010"	236.01408	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+Na+CF3COOH"	136.98208
"1571640"	251.98802	"C07273"	"Succinimide;25-Pyrrolidinedione;Butanimide;25-Diketopyrrolidine"	"C4H5NO2"	"99.032"	"M+K+CF3COOH"	152.95602
"816469"	263.1674	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M"	0
"989518"	244.14901	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-H2O-H"	-19.01839
"73994"	174.437657333333	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M-3H"	-3.021828
"513555"	262.160124	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M-3H"	-3.021828
"893542"	86.7151906666667	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-3H"	-3.021828
"12114"	262.160124	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M-2H"	-2.014552
"446208"	393.743824	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M-2H"	-2.014552
"822916"	130.576424	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-2H"	-2.014552
"82910"	525.327524	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M-H"	-1.007276
"521376"	788.494924	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M-H"	-1.007276
"903554"	262.160124	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-H"	-1.007276
"55744"	542.354071	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M-2H+NH4"	16.019271
"499683"	805.521471	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M-2H+NH4"	16.019271
"876386"	279.186671	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-2H+NH4"	16.019271
"36631"	547.309466	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M-2H+Na"	20.974666
"479472"	810.476866	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M-2H+Na"	20.974666
"862750"	284.142066	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-2H+Na"	20.974666
"1625721"	284.142066	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Na-2H"	20.974666
"100062"	280.148463	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M-H+Cl"	33.962126
"539985"	411.732163	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M-H+Cl"	33.962126
"935324"	148.564763	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-H+Cl"	33.962126
"273516"	561.304202	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+Cl"	34.969402
"673957"	824.471602	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+Cl"	34.969402
"1281986"	298.136802	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Cl"	34.969402
"25635"	563.283406	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M-2H+K"	36.948606
"457178"	826.450806	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M-2H+K"	36.948606
"833886"	300.116006	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-2H+K"	36.948606
"1558832"	300.116006	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+K-2H"	36.948606
"947815"	308.165594	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-H+HCOOH"	44.998194
"366029"	571.333001	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+HCOOH-H"	44.998201
"346629"	585.348651	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+Hac-H"	59.013851
"1493635"	322.181251	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Hac-H"	59.013851
"958662"	330.147551	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-H+NaCOOH"	66.980151
"110147"	298.136802	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+2Cl"	69.938804
"550088"	429.720502	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+2Cl"	69.938804
"1022087"	166.553102	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2Cl"	69.938804
"1241392"	342.086285	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Br"	78.918885
"1307760"	344.142272	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Cl+HCOOH"	80.974872
"1320523"	366.124229	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Cl+NaCOOH"	102.956829
"912312"	376.152986	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M-H+CF3COOH"	112.985586
"1289061"	412.129664	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Cl+CF3COOH"	148.962264
"1367543"	228.154724	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H-2H2O"	-35.012676
"1393070"	246.1647	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H-H2O"	-17.0027
"293849"	527.342076	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+H"	1.007276
"682988"	790.509476	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+H"	1.007276
"1360432"	264.174676	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H"	1.007276
"133319"	264.174676	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+2H"	2.014552
"575069"	395.758376	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+2H"	2.014552
"1044965"	132.590976	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2H"	2.014552
"213960"	176.452209333333	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+3H"	3.021828
"654614"	264.174676	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+3H"	3.021828
"1174927"	88.7297426666667	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+3H"	3.021828
"438322"	544.368623	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+NH4"	18.033823
"798099"	807.536023	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+NH4"	18.033823
"1686775"	281.201223	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+NH4"	18.033823
"342709"	272.6879495	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+H+NH4"	19.041099
"736225"	404.2716495	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+H+NH4"	19.041099
"1489681"	141.1042495	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H+NH4"	19.041099
"404354"	549.324018	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+Na"	22.989218
"759883"	812.491418	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+Na"	22.989218
"1612355"	286.156618	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Na"	22.989218
"322391"	275.165647	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+H+Na"	23.996494
"710437"	406.749347	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+H+Na"	23.996494
"1473017"	143.581947	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H+Na"	23.996494
"1065180"	96.0570566666667	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2H+Na"	25.00377
"1270140"	296.200886	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+CH3OH+H"	33.033486
"387617"	565.297958	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+K"	38.963158
"752987"	828.465358	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+K"	38.963158
"1554676"	302.130558	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+K"	38.963158
"312216"	283.152617	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+H+K"	39.970434
"704635"	414.736317	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+H+K"	39.970434
"1459548"	151.568917	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H+K"	39.970434
"245963"	568.368626	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+ACN+H"	42.033826
"1221953"	305.201226	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+ACN+H"	42.033826
"1207902"	153.104251	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+ACN+2H"	43.041102
"198705"	571.30596	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+2Na-H"	44.97116
"639360"	834.47336	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+2Na-H"	44.97116
"1139585"	308.13856	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2Na-H"	44.97116
"187500"	286.156618	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+2Na"	45.978436
"624627"	417.740318	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+2Na"	45.978436
"1127037"	154.572918	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2Na"	45.978436
"1403275"	103.384370666667	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H+2Na"	46.985712
"1440494"	310.180146	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H+HCOOH"	47.012746
"225815"	291.18964	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+3H2O+2H"	56.04448
"1517157"	324.23219	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+IsoProp+H"	61.06479
"414657"	294.143588	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+Na+K"	61.952376
"774930"	425.727288	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+Na+K"	61.952376
"1671261"	162.559888	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Na+K"	61.952376
"259606"	590.350568	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+ACN+Na"	64.015768
"1235595"	327.183168	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+ACN+Na"	64.015768
"1725576"	327.206693	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+NH4+HCOOH"	64.039293
"1189834"	110.711684666667	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+3Na"	68.967654
"1660821"	332.162088	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Na+HCOOH"	68.994688
"170600"	603.25384	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+2K-H"	76.91904
"609432"	866.42124	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+2K-H"	76.91904
"1096859"	340.08644	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2K-H"	76.91904
"149664"	302.130558	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"2M+2K"	77.926316
"592507"	433.714258	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"3M+2K"	77.926316
"1077018"	170.546858	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2K"	77.926316
"1108040"	342.100992	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2K+H"	78.933592
"1342239"	342.188607	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+DMSO+H"	79.021207
"1018423"	346.227776	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2ACN+H"	83.060376
"1532174"	347.221408	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+IsoProp+Na+H"	84.054008
"994247"	173.617526	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+2ACN+2H"	84.067652
"1594220"	348.136028	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+K+HCOOH"	84.968628
"1423161"	378.167538	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+H+CF3COOH"	115.000138
"1158918"	194.130801	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+3ACN+2H"	125.094202
"1703001"	395.194085	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+NH4+CF3COOH"	132.026685
"1637921"	400.14948	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+Na+CF3COOH"	136.98208
"1572476"	416.12342	"C07274"	"Nortriptyline"	"C19H21N"	"263.1674"	"M+K+CF3COOH"	152.95602
"815606"	113.0477	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M"	0
"986953"	94.02931	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-H2O-H"	-19.01839
"74101"	74.3578573333333	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M-3H"	-3.021828
"514753"	112.040424	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M-3H"	-3.021828
"888183"	36.6752906666667	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-3H"	-3.021828
"7850"	112.040424	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M-2H"	-2.014552
"441941"	168.564274	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M-2H"	-2.014552
"823025"	55.516574	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-2H"	-2.014552
"83384"	225.088124	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M-H"	-1.007276
"521485"	338.135824	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M-H"	-1.007276
"903664"	112.040424	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-H"	-1.007276
"55853"	242.114671	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M-2H+NH4"	16.019271
"499793"	355.162371	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M-2H+NH4"	16.019271
"876132"	129.066971	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-2H+NH4"	16.019271
"36741"	247.070066	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M-2H+Na"	20.974666
"478489"	360.117766	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M-2H+Na"	20.974666
"849729"	134.022366	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-2H+Na"	20.974666
"1625831"	134.022366	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Na-2H"	20.974666
"100172"	130.028763	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M-H+Cl"	33.962126
"539731"	186.552613	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M-H+Cl"	33.962126
"928507"	73.504913	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-H+Cl"	33.962126
"275085"	261.064802	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+Cl"	34.969402
"664224"	374.112502	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+Cl"	34.969402
"1279909"	148.017102	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Cl"	34.969402
"25745"	263.044006	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M-2H+K"	36.948606
"458747"	376.091706	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M-2H+K"	36.948606
"834723"	149.996306	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-2H+K"	36.948606
"1557848"	149.996306	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+K-2H"	36.948606
"946832"	158.045894	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-H+HCOOH"	44.998194
"362169"	271.093601	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+HCOOH-H"	44.998201
"345806"	285.109251	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+Hac-H"	59.013851
"1493138"	172.061551	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Hac-H"	59.013851
"959096"	180.027851	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-H+NaCOOH"	66.980151
"110921"	148.017102	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+2Cl"	69.938804
"550845"	204.540952	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+2Cl"	69.938804
"1021396"	91.493252	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2Cl"	69.938804
"1241364"	191.966585	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Br"	78.918885
"1307140"	194.022572	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Cl+HCOOH"	80.974872
"1320626"	216.004529	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Cl+NaCOOH"	102.956829
"911420"	226.033286	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M-H+CF3COOH"	112.985586
"1288571"	262.009964	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Cl+CF3COOH"	148.962264
"1368017"	78.035024	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H-2H2O"	-35.012676
"1392086"	96.045	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H-H2O"	-17.0027
"291772"	227.102676	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+H"	1.007276
"678724"	340.150376	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+H"	1.007276
"1359449"	114.054976	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H"	1.007276
"129054"	114.054976	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+2H"	2.014552
"577366"	170.578826	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+2H"	2.014552
"1045075"	57.531126	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2H"	2.014552
"214070"	76.3724093333333	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+3H"	3.021828
"653631"	114.054976	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+3H"	3.021828
"1175037"	38.6898426666667	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+3H"	3.021828
"437460"	244.129223	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+NH4"	18.033823
"799912"	357.176923	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+NH4"	18.033823
"1689072"	131.081523	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+NH4"	18.033823
"341726"	122.5682495	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+H+NH4"	19.041099
"735242"	179.0920995	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+H+NH4"	19.041099
"1489791"	66.0443995	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H+NH4"	19.041099
"405191"	249.084618	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+Na"	22.989218
"765461"	362.132318	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+Na"	22.989218
"1609185"	136.036918	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Na"	22.989218
"319219"	125.045947	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+H+Na"	23.996494
"712004"	181.569797	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+H+Na"	23.996494
"1472763"	68.522097	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H+Na"	23.996494
"1067355"	46.0171566666667	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2H+Na"	25.00377
"1270250"	146.081186	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+CH3OH+H"	33.033486
"392226"	265.058558	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+K"	38.963158
"749821"	378.106258	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+K"	38.963158
"1554059"	152.010858	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+K"	38.963158
"311233"	133.032917	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+H+K"	39.970434
"704382"	189.556767	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+H+K"	39.970434
"1459294"	76.509067	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H+K"	39.970434
"244980"	268.129226	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+ACN+H"	42.033826
"1223035"	155.081526	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+ACN+H"	42.033826
"1204853"	78.044401	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+ACN+2H"	43.041102
"197722"	271.06656	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+2Na-H"	44.97116
"638377"	384.11426	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+2Na-H"	44.97116
"1138602"	158.01886	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2Na-H"	44.97116
"187485"	136.036918	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+2Na"	45.978436
"625829"	192.560768	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+2Na"	45.978436
"1127147"	79.513068	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2Na"	45.978436
"1406301"	53.3444706666667	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H+2Na"	46.985712
"1438417"	160.060446	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H+HCOOH"	47.012746
"228111"	141.06994	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+3H2O+2H"	56.04448
"1515444"	174.11249	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+IsoProp+H"	61.06479
"416956"	144.023888	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+Na+K"	61.952376
"774676"	200.547738	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+Na+K"	61.952376
"1671007"	87.500038	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Na+K"	61.952376
"257894"	290.111168	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+ACN+Na"	64.015768
"1234612"	177.063468	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+ACN+Na"	64.015768
"1723499"	177.086993	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+NH4+HCOOH"	64.039293
"1189580"	60.6717846666667	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+3Na"	68.967654
"1659838"	182.042388	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Na+HCOOH"	68.994688
"169981"	303.01444	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+2K-H"	76.91904
"609179"	416.06214	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+2K-H"	76.91904
"1096239"	189.96674	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2K-H"	76.91904
"149774"	152.010858	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"2M+2K"	77.926316
"587148"	208.534708	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"3M+2K"	77.926316
"1077128"	95.487008	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2K"	77.926316
"1104870"	191.981292	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2K+H"	78.933592
"1343440"	192.068907	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+DMSO+H"	79.021207
"1018533"	196.108076	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2ACN+H"	83.060376
"1533377"	197.101708	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+IsoProp+Na+H"	84.054008
"996544"	98.557676	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+2ACN+2H"	84.067652
"1594330"	198.016328	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+K+HCOOH"	84.968628
"1424364"	228.047838	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+H+CF3COOH"	115.000138
"1156841"	119.070951	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+3ACN+2H"	125.094202
"1703111"	245.074385	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+NH4+CF3COOH"	132.026685
"1637667"	250.02978	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+Na+CF3COOH"	136.98208
"1571413"	266.00372	"C07275"	"Glutarimide;Piperidine-26-dione;26-Diketopiperidine"	"C5H7NO2"	"113.0477"	"M+K+CF3COOH"	152.95602
"809153"	170.1307	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M"	0
"987061"	151.11231	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"72021"	112.413190666667	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"507207"	169.123424	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"880050"	55.7029573333333	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"665"	169.123424	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"440217"	254.188774	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"817139"	84.058074	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"83130"	339.254124	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"521960"	509.384824	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"900492"	169.123424	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"47698"	356.280671	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"489325"	526.411371	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"871138"	186.149971	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"35758"	361.236066	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"471792"	531.366766	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"849141"	191.105366	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1631406"	191.105366	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"104655"	187.111763	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"545307"	272.177113	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"938823"	102.046413	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"276287"	375.230802	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"663241"	545.361502	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1283298"	205.100102	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"26948"	377.210006	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"464324"	547.340706	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"838845"	207.079306	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1561238"	207.079306	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"946939"	215.128894	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"361626"	385.259601	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"346600"	399.275251	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1497863"	229.144551	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"961393"	237.110851	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"112854"	205.100102	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"551440"	290.165452	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1025951"	120.034752	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1242980"	249.049585	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1311626"	251.105572	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1321463"	273.087529	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"913619"	283.116286	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1290331"	319.092964	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1369585"	135.118024	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1390008"	153.128	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"287507"	341.268676	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"677010"	511.399376	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1360651"	171.137976	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"130258"	171.137976	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"577476"	256.203326	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1050650"	86.072626	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"218311"	114.427742666667	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"657021"	171.137976	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1177701"	57.7175093333333	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"437324"	358.295223	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"800873"	528.425923	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1688088"	188.164523	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"342929"	179.6512495	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"734256"	264.7165995	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1490263"	94.5858995	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"404572"	363.250618	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"765566"	533.381318	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1611479"	193.119918	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"326980"	182.128947	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"708219"	267.194297	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1471780"	97.063597	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1066009"	65.0448233333333	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1265989"	203.164186	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"388935"	379.224558	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"748837"	549.355258	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1549433"	209.093858	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"309523"	190.115917	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"702671"	275.181267	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1457218"	105.050567	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"245090"	382.295226	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1218892"	212.164526	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1207149"	106.585901	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"203057"	385.23256	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"642739"	555.36326	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1135431"	215.10186	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"178723"	193.119918	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"617554"	278.185268	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1122882"	108.054568	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1402034"	72.3721373333333	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1433785"	217.143446	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"223845"	198.15294	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1517375"	231.19549	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"413056"	201.106888	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"772234"	286.172238	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1668201"	116.041538	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"257640"	404.277168	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1234722"	234.146468	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1722515"	234.169993	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1188961"	79.6994513333333	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1662134"	239.125388	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"171550"	417.18044	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"610748"	587.31114	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1094164"	247.04974	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"154258"	209.093858	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"591632"	294.159208	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1081612"	124.028508	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1109354"	249.064292	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1346830"	249.151907	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1019494"	253.191076	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1538228"	254.184708	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"1001028"	127.099176	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1597720"	255.099328	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1427754"	285.130838	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1160231"	147.612451	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1706501"	302.157385	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1638141"	307.11278	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1571970"	323.08672	"C07276"	"Limonene-12-diol;(1S2S4R)-Limonene-12-diol;(1S2S4R)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"812544"	548.0808	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M"	0
"979519"	529.06241	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-H2O-H"	-19.01839
"68853"	364.379924	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M-3H"	-3.021828
"503308"	547.073524	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M-3H"	-3.021828
"880379"	181.686324	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-3H"	-3.021828
"1507"	547.073524	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H"	-2.014552
"440697"	821.113924	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H"	-2.014552
"818620"	273.033124	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-2H"	-2.014552
"79221"	1095.154324	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M-H"	-1.007276
"520002"	1643.235124	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M-H"	-1.007276
"901695"	547.073524	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-H"	-1.007276
"48169"	1112.180871	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+NH4"	16.019271
"489313"	1660.261671	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+NH4"	16.019271
"867968"	564.100071	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-2H+NH4"	16.019271
"36961"	1117.136266	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+Na"	20.974666
"472265"	1665.217066	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+Na"	20.974666
"849085"	569.055466	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-2H+Na"	20.974666
"1627143"	569.055466	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Na-2H"	20.974666
"101849"	565.061863	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M-H+Cl"	33.962126
"542137"	839.102263	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M-H+Cl"	33.962126
"938933"	291.021463	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-H+Cl"	33.962126
"273117"	1131.131002	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+Cl"	34.969402
"663351"	1679.211802	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+Cl"	34.969402
"1282314"	583.050202	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl"	34.969402
"27058"	1133.110206	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+K"	36.948606
"464434"	1681.191006	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+K"	36.948606
"842235"	585.029406	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-2H+K"	36.948606
"1559526"	585.029406	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+K-2H"	36.948606
"947049"	593.078994	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-H+HCOOH"	44.998194
"361860"	1141.159801	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+HCOOH-H"	44.998201
"347319"	1155.175451	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+Hac-H"	59.013851
"1495422"	607.094651	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Hac-H"	59.013851
"961868"	615.060951	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-H+NaCOOH"	66.980151
"112602"	583.050202	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+2Cl"	69.938804
"551185"	857.090602	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+2Cl"	69.938804
"1023512"	309.009802	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2Cl"	69.938804
"1242240"	626.999685	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Br"	78.918885
"1309185"	629.055672	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+HCOOH"	80.974872
"1325220"	651.037629	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+NaCOOH"	102.956829
"916278"	661.066386	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M-H+CF3COOH"	112.985586
"1289705"	697.043064	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+CF3COOH"	148.962264
"1368603"	513.068124	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H-2H2O"	-35.012676
"1384646"	531.0781	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H-H2O"	-17.0027
"287617"	1097.168876	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+H"	1.007276
"675782"	1645.249676	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+H"	1.007276
"1358574"	549.088076	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H"	1.007276
"128182"	549.088076	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+2H"	2.014552
"578679"	823.128476	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+2H"	2.014552
"1046387"	275.047676	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2H"	2.014552
"215384"	366.394476	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+3H"	3.021828
"657130"	549.088076	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+3H"	3.021828
"1176349"	183.700876	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+3H"	3.021828
"436340"	1114.195423	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+NH4"	18.033823
"799888"	1662.276223	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+NH4"	18.033823
"1686012"	566.114623	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+NH4"	18.033823
"343768"	557.6013495	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+H+NH4"	19.041099
"731086"	831.6417495	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+H+NH4"	19.041099
"1489283"	283.5609495	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H+NH4"	19.041099
"402496"	1119.150818	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+Na"	22.989218
"763490"	1667.231618	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+Na"	22.989218
"1608311"	571.070018	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Na"	22.989218
"324905"	560.079047	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+H+Na"	23.996494
"710035"	834.119447	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+H+Na"	23.996494
"1470064"	286.038647	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H+Na"	23.996494
"1066363"	191.02819	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2H+Na"	25.00377
"1268286"	581.114286	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+CH3OH+H"	33.033486
"388316"	1135.124758	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+K"	38.963158
"750041"	1683.205558	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+K"	38.963158
"1549543"	587.043958	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+K"	38.963158
"310727"	568.066017	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+H+K"	39.970434
"704239"	842.106417	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+H+K"	39.970434
"1458057"	294.025617	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H+K"	39.970434
"248483"	1138.195426	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+H"	42.033826
"1222283"	590.114626	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+H"	42.033826
"1207260"	295.560951	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+2H"	43.041102
"202804"	1141.13276	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na-H"	44.97116
"642606"	1689.21356	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na-H"	44.97116
"1137727"	593.05196	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2Na-H"	44.97116
"184302"	571.070018	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na"	45.978436
"618394"	845.110418	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na"	45.978436
"1125181"	297.029618	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2Na"	45.978436
"1401049"	198.355504	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H+2Na"	46.985712
"1433897"	595.093546	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H+HCOOH"	47.012746
"222862"	576.10304	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+3H2O+2H"	56.04448
"1512019"	609.14559	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+H"	61.06479
"412435"	579.056988	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+Na+K"	61.952376
"772709"	853.097388	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+Na+K"	61.952376
"1671228"	305.016588	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Na+K"	61.952376
"258843"	1160.177368	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+Na"	64.015768
"1233374"	612.096568	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+Na"	64.015768
"1719344"	612.120093	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+HCOOH"	64.039293
"1185793"	205.682818	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+3Na"	68.967654
"1664071"	617.075488	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Na+HCOOH"	68.994688
"166920"	1173.08064	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+2K-H"	76.91904
"609766"	1721.16144	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+2K-H"	76.91904
"1092087"	624.99984	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2K-H"	76.91904
"153278"	587.043958	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"2M+2K"	77.926316
"592472"	861.084358	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"3M+2K"	77.926316
"1079536"	313.003558	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2K"	77.926316
"1112744"	627.014392	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2K+H"	78.933592
"1348035"	627.102007	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+DMSO+H"	79.021207
"1019119"	631.141176	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+H"	83.060376
"1538338"	632.134808	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+Na+H"	84.054008
"1001137"	316.074226	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+2H"	84.067652
"1601720"	633.049428	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+K+HCOOH"	84.968628
"1427865"	663.080938	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+H+CF3COOH"	115.000138
"1161434"	336.587501	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+3ACN+2H"	125.094202
"1709891"	680.107485	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+CF3COOH"	132.026685
"1641167"	685.06288	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+Na+CF3COOH"	136.98208
"1572444"	701.03682	"C07277"	"dTDP-D-fucose;dTDP-alpha-D-fucopyranose"	"C16H26N2O15P2"	"548.0808"	"M+K+CF3COOH"	152.95602
"814841"	383.1428	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M"	0
"985095"	364.12441	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-H2O-H"	-19.01839
"72242"	254.421257333333	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M-3H"	-3.021828
"509615"	382.135524	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M-3H"	-3.021828
"884136"	126.706990666667	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-3H"	-3.021828
"1614"	382.135524	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M-2H"	-2.014552
"440685"	573.706924	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M-2H"	-2.014552
"818000"	190.564124	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-2H"	-2.014552
"79086"	765.278324	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M-H"	-1.007276
"519991"	1148.421124	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M-H"	-1.007276
"898525"	382.135524	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-H"	-1.007276
"48400"	782.304871	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M-2H+NH4"	16.019271
"488325"	1165.447671	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M-2H+NH4"	16.019271
"869171"	399.162071	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-2H+NH4"	16.019271
"34884"	787.260266	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M-2H+Na"	20.974666
"472495"	1170.403066	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M-2H+Na"	20.974666
"848955"	404.117466	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-2H+Na"	20.974666
"1632599"	404.117466	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Na-2H"	20.974666
"109738"	400.123863	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M-H+Cl"	33.962126
"542247"	591.695263	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M-H+Cl"	33.962126
"940137"	208.552463	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-H+Cl"	33.962126
"281732"	801.255002	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+Cl"	34.969402
"670021"	1184.397802	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+Cl"	34.969402
"1283518"	418.112202	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Cl"	34.969402
"30735"	803.234206	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M-2H+K"	36.948606
"463450"	1186.377006	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M-2H+K"	36.948606
"837971"	420.091406	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-2H+K"	36.948606
"1560365"	420.091406	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+K-2H"	36.948606
"950439"	428.140994	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-H+HCOOH"	44.998194
"366467"	811.283801	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+HCOOH-H"	44.998201
"347549"	825.299451	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+Hac-H"	59.013851
"1494807"	442.156651	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Hac-H"	59.013851
"960526"	450.122951	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-H+NaCOOH"	66.980151
"120732"	418.112202	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+2Cl"	69.938804
"552271"	609.683602	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+2Cl"	69.938804
"1027270"	226.540802	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2Cl"	69.938804
"1242593"	462.061685	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Br"	78.918885
"1314763"	464.117672	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Cl+HCOOH"	80.974872
"1326790"	486.099629	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Cl+NaCOOH"	102.956829
"921128"	496.128386	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M-H+CF3COOH"	112.985586
"1296743"	532.105064	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Cl+CF3COOH"	148.962264
"1369077"	348.130124	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H-2H2O"	-35.012676
"1383780"	366.1401	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H-H2O"	-17.0027
"291007"	767.292876	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+H"	1.007276
"676866"	1150.435676	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+H"	1.007276
"1352487"	384.150076	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H"	1.007276
"130478"	384.150076	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+2H"	2.014552
"579882"	575.721476	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+2H"	2.014552
"1051236"	192.578676	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2H"	2.014552
"216222"	256.435809333333	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+3H"	3.021828
"653958"	384.150076	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+3H"	3.021828
"1176824"	128.721542666667	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+3H"	3.021828
"438273"	784.319423	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+NH4"	18.033823
"799270"	1167.462223	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+NH4"	18.033823
"1694873"	401.176623	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+NH4"	18.033823
"344608"	392.6633495	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+H+NH4"	19.041099
"734477"	584.2347495	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+H+NH4"	19.041099
"1490486"	201.0919495	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H+NH4"	19.041099
"402606"	789.274818	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+Na"	22.989218
"764694"	1172.417618	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+Na"	22.989218
"1609513"	406.132018	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Na"	22.989218
"325015"	395.141047	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+H+Na"	23.996494
"711239"	586.712447	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+H+Na"	23.996494
"1473454"	203.569647	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H+Na"	23.996494
"1059045"	136.048856666667	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2H+Na"	25.00377
"1272403"	416.176286	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+CH3OH+H"	33.033486
"392193"	805.248758	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+K"	38.963158
"753914"	1188.391558	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+K"	38.963158
"1553293"	422.105958	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+K"	38.963158
"312656"	403.128017	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+H+K"	39.970434
"706170"	594.699417	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+H+K"	39.970434
"1458895"	211.556617	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H+K"	39.970434
"246404"	808.319426	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+H"	42.033826
"1221299"	425.176626	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+ACN+H"	42.033826
"1206275"	213.091951	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+ACN+2H"	43.041102
"198052"	811.25676	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+2Na-H"	44.97116
"641987"	1194.39956	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+2Na-H"	44.97116
"1137837"	428.11396	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2Na-H"	44.97116
"183318"	406.132018	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+2Na"	45.978436
"616680"	597.703418	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+2Na"	45.978436
"1121281"	214.560618	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2Na"	45.978436
"1406630"	143.376170666667	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H+2Na"	46.985712
"1435466"	430.155546	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H+HCOOH"	47.012746
"224431"	411.16504	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+3H2O+2H"	56.04448
"1511401"	444.20759	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+H"	61.06479
"412912"	414.118988	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+Na+K"	61.952376
"778286"	605.690388	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+Na+K"	61.952376
"1673525"	222.547588	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Na+K"	61.952376
"258953"	830.301368	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+Na"	64.015768
"1233848"	447.158568	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+ACN+Na"	64.015768
"1721641"	447.182093	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+NH4+HCOOH"	64.039293
"1190277"	150.703484666667	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+3Na"	68.967654
"1665036"	452.137488	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Na+HCOOH"	68.994688
"168123"	843.20464	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+2K-H"	76.91904
"610970"	1226.34744	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+2K-H"	76.91904
"1098638"	460.06184	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2K-H"	76.91904
"149013"	422.105958	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"2M+2K"	77.926316
"595256"	613.677358	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"3M+2K"	77.926316
"1081834"	230.534558	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2K"	77.926316
"1114925"	462.076392	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2K+H"	78.933592
"1348145"	462.164007	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+DMSO+H"	79.021207
"1019107"	466.203176	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+H"	83.060376
"1538083"	467.196808	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+Na+H"	84.054008
"997967"	233.605226	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+2H"	84.067652
"1599034"	468.111428	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+K+HCOOH"	84.968628
"1429559"	498.142938	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+H+CF3COOH"	115.000138
"1159360"	254.118501	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+3ACN+2H"	125.094202
"1711097"	515.169485	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+NH4+CF3COOH"	132.026685
"1644558"	520.12488	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+Na+CF3COOH"	136.98208
"1579117"	536.09882	"C07278"	"beta-D-Galactosyl-(1-3)-N-acetyl-D-galactosamine;beta-D-Galactopyranosyl-(1-3)-N-acetyl-D-galactosamine"	"C14H25NO11"	"383.1428"	"M+K+CF3COOH"	152.95602
"814951"	168.972	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M"	0
"983017"	149.95361	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-H2O-H"	-19.01839
"67979"	111.640724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M-3H"	-3.021828
"504621"	167.964724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M-3H"	-3.021828
"882059"	55.316724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-3H"	-3.021828
"873"	167.964724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M-2H"	-2.014552
"440149"	252.450724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M-2H"	-2.014552
"817988"	83.478724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-2H"	-2.014552
"78707"	336.936724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M-H"	-1.007276
"521561"	505.908724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M-H"	-1.007276
"900822"	167.964724	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-H"	-1.007276
"47213"	353.963271	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M-2H+NH4"	16.019271
"487133"	522.935271	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M-2H+NH4"	16.019271
"868188"	184.991271	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-2H+NH4"	16.019271
"34994"	358.918666	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M-2H+Na"	20.974666
"472243"	527.890666	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M-2H+Na"	20.974666
"848939"	189.946666	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-2H+Na"	20.974666
"1632830"	189.946666	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Na-2H"	20.974666
"103892"	185.953063	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M-H+Cl"	33.962126
"542357"	270.439063	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M-H+Cl"	33.962126
"938059"	101.467063	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-H+Cl"	33.962126
"271149"	372.913402	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+Cl"	34.969402
"670131"	541.885402	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+Cl"	34.969402
"1278161"	203.941402	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Cl"	34.969402
"27277"	374.892606	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M-2H+K"	36.948606
"462466"	543.864606	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M-2H+K"	36.948606
"839175"	205.920606	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-2H+K"	36.948606
"1565943"	205.920606	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+K-2H"	36.948606
"952737"	213.970194	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-H+HCOOH"	44.998194
"364755"	382.942201	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+HCOOH-H"	44.998201
"347543"	396.957851	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+Hac-H"	59.013851
"1497105"	227.985851	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Hac-H"	59.013851
"959660"	235.952151	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-H+NaCOOH"	66.980151
"111731"	203.941402	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+2Cl"	69.938804
"550562"	288.427402	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+2Cl"	69.938804
"1023004"	119.455402	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2Cl"	69.938804
"1242944"	247.890885	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Br"	78.918885
"1308314"	249.946872	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Cl+HCOOH"	80.974872
"1330181"	271.928829	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Cl+NaCOOH"	102.956829
"914678"	281.957586	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M-H+CF3COOH"	112.985586
"1293573"	317.934264	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Cl+CF3COOH"	148.962264
"1370646"	133.959324	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H-2H2O"	-35.012676
"1387053"	151.9693	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H-H2O"	-17.0027
"287837"	338.951276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+H"	1.007276
"684630"	507.923276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+H"	1.007276
"1353690"	169.979276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H"	1.007276
"130586"	169.979276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+2H"	2.014552
"576712"	254.465276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+2H"	2.014552
"1051712"	85.493276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2H"	2.014552
"216697"	113.655276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+3H"	3.021828
"655162"	169.979276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+3H"	3.021828
"1176936"	57.331276	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+3H"	3.021828
"436563"	355.977823	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+NH4"	18.033823
"797559"	524.949823	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+NH4"	18.033823
"1692794"	187.005823	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+NH4"	18.033823
"338885"	178.4925495	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+H+NH4"	19.041099
"734588"	262.9785495	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+H+NH4"	19.041099
"1488408"	94.0065495	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H+NH4"	19.041099
"401623"	360.933218	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+Na"	22.989218
"760430"	529.905218	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+Na"	22.989218
"1610715"	191.961218	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Na"	22.989218
"324032"	180.970247	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+H+Na"	23.996494
"710255"	265.456247	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+H+Na"	23.996494
"1468097"	96.484247	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H+Na"	23.996494
"1056968"	64.65859	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2H+Na"	25.00377
"1263024"	202.005486	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+CH3OH+H"	33.033486
"391815"	376.907158	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+K"	38.963158
"753415"	545.879158	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+K"	38.963158
"1552309"	207.935158	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+K"	38.963158
"312762"	188.957217	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+H+K"	39.970434
"701903"	273.443217	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+H+K"	39.970434
"1457911"	104.471217	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H+K"	39.970434
"244326"	379.977826	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+ACN+H"	42.033826
"1221409"	211.005826	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+ACN+H"	42.033826
"1206385"	106.006551	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+ACN+2H"	43.041102
"203630"	382.91516	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+2Na-H"	44.97116
"641003"	551.88716	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+2Na-H"	44.97116
"1136124"	213.94316	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2Na-H"	44.97116
"183428"	191.961218	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+2Na"	45.978436
"618612"	276.447218	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+2Na"	45.978436
"1122119"	107.475218	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2Na"	45.978436
"1406740"	71.985904	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H+2Na"	46.985712
"1435576"	215.984746	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H+HCOOH"	47.012746
"225635"	196.99424	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+3H2O+2H"	56.04448
"1515521"	230.03679	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+IsoProp+H"	61.06479
"418489"	199.948188	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+Na+K"	61.952376
"778396"	284.434188	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+Na+K"	61.952376
"1673634"	115.462188	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Na+K"	61.952376
"257969"	401.959768	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+ACN+Na"	64.015768
"1236146"	232.987768	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+ACN+Na"	64.015768
"1725032"	233.011293	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+NH4+HCOOH"	64.039293
"1191480"	79.313218	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+3Na"	68.967654
"1665150"	237.966688	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Na+HCOOH"	68.994688
"168233"	414.86304	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+2K-H"	76.91904
"612624"	583.83504	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+2K-H"	76.91904
"1099845"	245.89104	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2K-H"	76.91904
"152404"	207.935158	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"2M+2K"	77.926316
"594150"	292.421158	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"3M+2K"	77.926316
"1083403"	123.449158	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2K"	77.926316
"1114182"	247.905592	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2K+H"	78.933592
"1350323"	247.993207	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+DMSO+H"	79.021207
"1015690"	252.032376	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2ACN+H"	83.060376
"1538800"	253.026008	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+IsoProp+Na+H"	84.054008
"995890"	126.519826	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+2ACN+2H"	84.067652
"1602061"	253.940628	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+K+HCOOH"	84.968628
"1429425"	283.972138	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+H+CF3COOH"	115.000138
"1159471"	147.033101	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+3ACN+2H"	125.094202
"1711936"	300.998685	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+NH4+CF3COOH"	132.026685
"1644668"	305.95408	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+Na+CF3COOH"	136.98208
"1579227"	321.92802	"C07279"	"2-Aminoethylarsonate;2-Aminoethylarsonic acid"	"C2H8AsNO3"	"168.972"	"M+K+CF3COOH"	152.95602
"809597"	132.9656	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M"	0
"974231"	113.94721	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-H2O-H"	-19.01839
"64808"	87.6364573333333	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M-3H"	-3.021828
"505462"	131.958324	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M-3H"	-3.021828
"880047"	43.3145906666667	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-3H"	-3.021828
"139"	131.958324	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M-2H"	-2.014552
"441388"	198.441124	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M-2H"	-2.014552
"817529"	65.475524	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-2H"	-2.014552
"78686"	264.923924	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M-H"	-1.007276
"522036"	397.889524	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M-H"	-1.007276
"897652"	131.958324	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-H"	-1.007276
"47156"	281.950471	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M-2H+NH4"	16.019271
"487408"	414.916071	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M-2H+NH4"	16.019271
"878141"	148.984871	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-2H+NH4"	16.019271
"35106"	286.905866	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M-2H+Na"	20.974666
"471949"	419.871466	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M-2H+Na"	20.974666
"852467"	153.940266	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-2H+Na"	20.974666
"1630753"	153.940266	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Na-2H"	20.974666
"96348"	149.946663	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M-H+Cl"	33.962126
"538094"	216.429463	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M-H+Cl"	33.962126
"935982"	83.463863	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-H+Cl"	33.962126
"270531"	300.900602	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+Cl"	34.969402
"661859"	433.866202	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+Cl"	34.969402
"1278271"	167.935002	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Cl"	34.969402
"23014"	302.879806	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M-2H+K"	36.948606
"461483"	435.845406	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M-2H+K"	36.948606
"839285"	169.914206	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-2H+K"	36.948606
"1564960"	169.914206	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+K-2H"	36.948606
"952847"	177.963794	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-H+HCOOH"	44.998194
"362678"	310.929401	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+HCOOH-H"	44.998201
"346561"	324.945051	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+Hac-H"	59.013851
"1492947"	191.979451	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Hac-H"	59.013851
"959041"	199.945751	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-H+NaCOOH"	66.980151
"111109"	167.935002	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+2Cl"	69.938804
"550672"	234.417802	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+2Cl"	69.938804
"1022747"	101.452202	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2Cl"	69.938804
"1241715"	211.884485	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Br"	78.918885
"1308424"	213.940472	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Cl+HCOOH"	80.974872
"1331020"	235.922429	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Cl+NaCOOH"	102.956829
"914788"	245.951186	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M-H+CF3COOH"	112.985586
"1294047"	281.927864	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Cl+CF3COOH"	148.962264
"1370756"	97.952924	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H-2H2O"	-35.012676
"1386428"	115.9629	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H-H2O"	-17.0027
"284667"	266.938476	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+H"	1.007276
"683647"	399.904076	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+H"	1.007276
"1351733"	133.972876	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H"	1.007276
"130696"	133.972876	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+2H"	2.014552
"576822"	200.455676	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+2H"	2.014552
"1049271"	67.490076	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2H"	2.014552
"213527"	89.6510093333333	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+3H"	3.021828
"650899"	133.972876	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+3H"	3.021828
"1175223"	45.3291426666667	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+3H"	3.021828
"434487"	283.965023	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+NH4"	18.033823
"796575"	416.930623	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+NH4"	18.033823
"1690717"	150.999423	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+NH4"	18.033823
"335715"	142.4861495	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+H+NH4"	19.041099
"729230"	208.9689495	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+H+NH4"	19.041099
"1486332"	76.0033495	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H+NH4"	19.041099
"401731"	288.920418	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+Na"	22.989218
"757261"	421.886018	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+Na"	22.989218
"1609732"	155.954818	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Na"	22.989218
"323049"	144.963847	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+H+Na"	23.996494
"708906"	211.446647	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+H+Na"	23.996494
"1467114"	78.481047	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H+Na"	23.996494
"1055985"	52.6564566666667	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2H+Na"	25.00377
"1263134"	165.999086	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+CH3OH+H"	33.033486
"389371"	304.894358	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+K"	38.963158
"750365"	437.859958	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+K"	38.963158
"1551326"	171.928758	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+K"	38.963158
"312872"	152.950817	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+H+K"	39.970434
"700919"	219.433617	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+H+K"	39.970434
"1458020"	86.468017	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H+K"	39.970434
"247717"	307.965026	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+ACN+H"	42.033826
"1222614"	174.999426	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+ACN+H"	42.033826
"1206496"	88.003351	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+ACN+2H"	43.041102
"203619"	310.90236	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+2Na-H"	44.97116
"640749"	443.86796	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+2Na-H"	44.97116
"1137692"	177.93676	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2Na-H"	44.97116
"183538"	155.954818	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+2Na"	45.978436
"618722"	222.437618	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+2Na"	45.978436
"1122231"	89.472018	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2Na"	45.978436
"1409038"	59.9837706666667	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H+2Na"	46.985712
"1435687"	179.978346	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H+HCOOH"	47.012746
"224288"	160.98784	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+3H2O+2H"	56.04448
"1512351"	194.03039	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+IsoProp+H"	61.06479
"419695"	163.941788	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+Na+K"	61.952376
"777413"	230.424588	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+Na+K"	61.952376
"1677027"	97.458988	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Na+K"	61.952376
"262454"	329.946968	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+ACN+Na"	64.015768
"1236256"	196.981368	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+ACN+Na"	64.015768
"1728306"	197.004893	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+NH4+HCOOH"	64.039293
"1192684"	67.3110846666667	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+3Na"	68.967654
"1665519"	201.960288	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Na+HCOOH"	68.994688
"172452"	342.85024	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+2K-H"	76.91904
"612769"	475.81584	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+2K-H"	76.91904
"1099823"	209.88464	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2K-H"	76.91904
"152514"	171.928758	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"2M+2K"	77.926316
"592075"	238.411558	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"3M+2K"	77.926316
"1081933"	105.445958	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2K"	77.926316
"1114292"	211.899192	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2K+H"	78.933592
"1348974"	211.986807	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+DMSO+H"	79.021207
"1019570"	216.025976	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2ACN+H"	83.060376
"1538547"	217.019608	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+IsoProp+Na+H"	84.054008
"1002562"	108.516626	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+2ACN+2H"	84.067652
"1592693"	217.934228	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+K+HCOOH"	84.968628
"1429535"	247.965738	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+H+CF3COOH"	115.000138
"1158488"	129.029901	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+3ACN+2H"	125.094202
"1709130"	264.992285	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+NH4+CF3COOH"	132.026685
"1644779"	269.94768	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+Na+CF3COOH"	136.98208
"1579337"	285.92162	"C07280"	"Rhodanine;2-Thioxo-4-thiazolidinone"	"C3H3NOS2"	"132.9656"	"M+K+CF3COOH"	152.95602
"803146"	312.1056	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M"	0
"975580"	293.08721	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-H2O-H"	-19.01839
"67108"	207.063124	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M-3H"	-3.021828
"505935"	311.098324	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M-3H"	-3.021828
"880455"	103.027924	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-3H"	-3.021828
"369"	311.098324	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M-2H"	-2.014552
"452453"	467.151124	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M-2H"	-2.014552
"832082"	155.045524	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-2H"	-2.014552
"90250"	623.203924	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M-H"	-1.007276
"526530"	935.309524	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M-H"	-1.007276
"898864"	311.098324	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-H"	-1.007276
"50325"	640.230471	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M-2H+NH4"	16.019271
"492799"	952.336071	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M-2H+NH4"	16.019271
"877039"	328.124871	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-2H+NH4"	16.019271
"43974"	645.185866	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M-2H+Na"	20.974666
"482439"	957.291466	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M-2H+Na"	20.974666
"862064"	333.080266	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-2H+Na"	20.974666
"1628680"	333.080266	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Na-2H"	20.974666
"106305"	329.086663	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M-H+Cl"	33.962126
"544770"	485.139463	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M-H+Cl"	33.962126
"932817"	173.033863	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-H+Cl"	33.962126
"281218"	659.180602	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+Cl"	34.969402
"673639"	971.286202	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+Cl"	34.969402
"1283854"	347.075002	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Cl"	34.969402
"27504"	661.159806	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M-2H+K"	36.948606
"469621"	973.265406	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M-2H+K"	36.948606
"845962"	349.054206	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-2H+K"	36.948606
"1565077"	349.054206	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+K-2H"	36.948606
"949678"	357.103794	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-H+HCOOH"	44.998194
"364614"	669.209401	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+HCOOH-H"	44.998201
"348494"	683.225051	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+Hac-H"	59.013851
"1494044"	371.119451	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Hac-H"	59.013851
"960488"	379.085751	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-H+NaCOOH"	66.980151
"112677"	347.075002	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+2Cl"	69.938804
"551140"	503.127802	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+2Cl"	69.938804
"1021596"	191.022202	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2Cl"	69.938804
"1245353"	391.024485	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Br"	78.918885
"1305976"	393.080472	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Cl+HCOOH"	80.974872
"1322756"	415.062429	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Cl+NaCOOH"	102.956829
"917098"	425.091186	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M-H+CF3COOH"	112.985586
"1290528"	461.067864	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Cl+CF3COOH"	148.962264
"1367713"	277.092924	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H-2H2O"	-35.012676
"1384121"	295.1029	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H-H2O"	-17.0027
"292436"	625.218476	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+H"	1.007276
"687773"	937.324076	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+H"	1.007276
"1365952"	313.112876	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H"	1.007276
"136286"	313.112876	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+2H"	2.014552
"576940"	469.165676	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+2H"	2.014552
"1049019"	157.060076	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2H"	2.014552
"213639"	209.077676	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+3H"	3.021828
"653198"	313.112876	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+3H"	3.021828
"1173513"	105.042476	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+3H"	3.021828
"433506"	642.245023	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+NH4"	18.033823
"793406"	954.350623	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+NH4"	18.033823
"1687549"	330.139423	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+NH4"	18.033823
"334735"	321.6261495	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+H+NH4"	19.041099
"728247"	477.6789495	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+H+NH4"	19.041099
"1483160"	165.5733495	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H+NH4"	19.041099
"397468"	647.200418	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+Na"	22.989218
"754574"	959.306018	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+Na"	22.989218
"1610949"	335.094818	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Na"	22.989218
"323173"	324.103847	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+H+Na"	23.996494
"714504"	480.156647	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+H+Na"	23.996494
"1470513"	168.051047	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H+Na"	23.996494
"1063761"	112.36979	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2H+Na"	25.00377
"1272367"	345.139086	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+CH3OH+H"	33.033486
"389480"	663.174358	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+K"	38.963158
"748290"	975.279958	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+K"	38.963158
"1552529"	351.068758	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+K"	38.963158
"310800"	332.090817	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+H+K"	39.970434
"702126"	488.143617	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+H+K"	39.970434
"1457038"	176.038017	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H+K"	39.970434
"245639"	666.245026	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+ACN+H"	42.033826
"1216162"	354.139426	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+ACN+H"	42.033826
"1202232"	177.573351	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+ACN+2H"	43.041102
"200578"	669.18236	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+2Na-H"	44.97116
"641959"	981.28796	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+2Na-H"	44.97116
"1140361"	357.07676	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2Na-H"	44.97116
"176000"	335.094818	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+2Na"	45.978436
"616654"	491.147618	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+2Na"	45.978436
"1120159"	179.042018	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2Na"	45.978436
"1400032"	119.697104	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H+2Na"	46.985712
"1444552"	359.118346	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H+HCOOH"	47.012746
"232066"	340.12784	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+3H2O+2H"	56.04448
"1523409"	373.17039	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+IsoProp+H"	61.06479
"420910"	343.081788	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+Na+K"	61.952376
"785310"	499.134588	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+Na+K"	61.952376
"1680672"	187.028988	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Na+K"	61.952376
"265128"	688.226968	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+ACN+Na"	64.015768
"1240384"	376.121368	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+ACN+Na"	64.015768
"1727086"	376.144893	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+NH4+HCOOH"	64.039293
"1193491"	127.024418	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+3Na"	68.967654
"1664761"	381.100288	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Na+HCOOH"	68.994688
"172558"	701.13024	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+2K-H"	76.91904
"612774"	1013.23584	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+2K-H"	76.91904
"1097630"	389.02464	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2K-H"	76.91904
"157107"	351.068758	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"2M+2K"	77.926316
"589998"	507.121558	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"3M+2K"	77.926316
"1081070"	195.015958	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2K"	77.926316
"1109906"	391.039192	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2K+H"	78.933592
"1347384"	391.126807	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+DMSO+H"	79.021207
"1017011"	395.165976	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2ACN+H"	83.060376
"1530762"	396.159608	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+IsoProp+Na+H"	84.054008
"993930"	198.086626	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+2ACN+2H"	84.067652
"1594994"	397.074228	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+K+HCOOH"	84.968628
"1419559"	427.105738	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+H+CF3COOH"	115.000138
"1157500"	218.599901	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+3ACN+2H"	125.094202
"1704868"	444.132285	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+NH4+CF3COOH"	132.026685
"1641612"	449.08768	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+Na+CF3COOH"	136.98208
"1573982"	465.06162	"C07285"	"Arabino-galactose"	"C11H20O10"	"312.1056"	"M+K+CF3COOH"	152.95602
"803256"	126.1045	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M"	0
"975933"	107.08611	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-H2O-H"	-19.01839
"66125"	83.0623906666667	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M-3H"	-3.021828
"505682"	125.097224	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M-3H"	-3.021828
"880562"	41.0275573333333	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-3H"	-3.021828
"1087"	125.097224	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M-2H"	-2.014552
"451470"	188.149474	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M-2H"	-2.014552
"825990"	62.044974	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-2H"	-2.014552
"87075"	251.201724	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M-H"	-1.007276
"523360"	377.306224	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M-H"	-1.007276
"898974"	125.097224	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-H"	-1.007276
"49338"	268.228271	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M-2H+NH4"	16.019271
"493637"	394.332771	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M-2H+NH4"	16.019271
"873990"	142.123771	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-2H+NH4"	16.019271
"41897"	273.183666	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M-2H+Na"	20.974666
"481456"	399.288166	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M-2H+Na"	20.974666
"859259"	147.079166	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-2H+Na"	20.974666
"1628790"	147.079166	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Na-2H"	20.974666
"104229"	143.085563	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M-H+Cl"	33.962126
"543787"	206.137813	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M-H+Cl"	33.962126
"935114"	80.033313	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-H+Cl"	33.962126
"279871"	287.178402	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+Cl"	34.969402
"673507"	413.282902	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+Cl"	34.969402
"1282871"	161.073902	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Cl"	34.969402
"26521"	289.157606	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M-2H+K"	36.948606
"463895"	415.262106	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M-2H+K"	36.948606
"844979"	163.053106	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-2H+K"	36.948606
"1565187"	163.053106	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+K-2H"	36.948606
"951975"	171.102694	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-H+HCOOH"	44.998194
"364724"	297.207201	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+HCOOH-H"	44.998201
"347511"	311.222851	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+Hac-H"	59.013851
"1493424"	185.118351	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Hac-H"	59.013851
"960235"	193.084651	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-H+NaCOOH"	66.980151
"111694"	161.073902	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+2Cl"	69.938804
"554535"	224.126152	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+2Cl"	69.938804
"1022240"	98.021652	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2Cl"	69.938804
"1243641"	205.023385	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Br"	78.918885
"1304873"	207.079372	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Cl+HCOOH"	80.974872
"1325054"	229.061329	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Cl+NaCOOH"	102.956829
"917208"	239.090086	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M-H+CF3COOH"	112.985586
"1290759"	275.066764	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Cl+CF3COOH"	148.962264
"1368067"	91.091824	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H-2H2O"	-35.012676
"1385203"	109.1018	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H-H2O"	-17.0027
"291453"	253.216276	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+H"	1.007276
"687883"	379.320776	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+H"	1.007276
"1366062"	127.111776	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H"	1.007276
"137490"	127.111776	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+2H"	2.014552
"573769"	190.164026	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+2H"	2.014552
"1042568"	64.059526	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2H"	2.014552
"213748"	85.0769426666667	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+3H"	3.021828
"652213"	127.111776	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+3H"	3.021828
"1173259"	43.0421093333333	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+3H"	3.021828
"433616"	270.242823	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+NH4"	18.033823
"792423"	396.347323	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+NH4"	18.033823
"1686565"	144.138323	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+NH4"	18.033823
"337031"	135.6250495	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+H+NH4"	19.041099
"727264"	198.6772995	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+H+NH4"	19.041099
"1484363"	72.5727995	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H+NH4"	19.041099
"396485"	275.198218	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+Na"	22.989218
"757480"	401.302718	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+Na"	22.989218
"1608872"	149.093718	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Na"	22.989218
"323283"	138.102747	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+H+Na"	23.996494
"714614"	201.154997	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+H+Na"	23.996494
"1470623"	75.050497	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H+Na"	23.996494
"1063868"	50.3694233333333	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2H+Na"	25.00377
"1267736"	159.137986	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+CH3OH+H"	33.033486
"388497"	291.172158	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+K"	38.963158
"748398"	417.276658	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+K"	38.963158
"1550453"	165.067658	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+K"	38.963158
"307629"	146.089717	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+H+K"	39.970434
"700050"	209.141967	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+H+K"	39.970434
"1453869"	83.037467	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H+K"	39.970434
"244656"	294.242826	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+ACN+H"	42.033826
"1215906"	168.138326	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+ACN+H"	42.033826
"1200519"	84.572801	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+ACN+2H"	43.041102
"198500"	297.18016	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+2Na-H"	44.97116
"640247"	423.28466	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+2Na-H"	44.97116
"1138283"	171.07566	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2Na-H"	44.97116
"176474"	149.093718	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+2Na"	45.978436
"616764"	212.145968	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+2Na"	45.978436
"1120269"	86.041468	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2Na"	45.978436
"1399534"	57.6967373333333	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H+2Na"	46.985712
"1442476"	173.117246	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H+HCOOH"	47.012746
"233999"	154.12674	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+3H2O+2H"	56.04448
"1521699"	187.16929	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+IsoProp+H"	61.06479
"419925"	157.080688	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+Na+K"	61.952376
"784205"	220.132938	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+Na+K"	61.952376
"1680173"	94.028438	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Na+K"	61.952376
"265237"	316.224768	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+ACN+Na"	64.015768
"1239400"	190.120268	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+ACN+Na"	64.015768
"1726832"	190.143793	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+NH4+HCOOH"	64.039293
"1193519"	65.0240513333333	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+3Na"	68.967654
"1664627"	195.099188	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Na+HCOOH"	68.994688
"172707"	329.12804	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+2K-H"	76.91904
"612545"	455.23254	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+2K-H"	76.91904
"1097011"	203.02354	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2K-H"	76.91904
"156750"	165.067658	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"2M+2K"	77.926316
"589015"	228.119908	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"3M+2K"	77.926316
"1081180"	102.015408	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2K"	77.926316
"1107830"	205.038092	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2K+H"	78.933592
"1347494"	205.125707	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+DMSO+H"	79.021207
"1017120"	209.164876	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2ACN+H"	83.060376
"1530872"	210.158508	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+IsoProp+Na+H"	84.054008
"994040"	105.086076	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+2ACN+2H"	84.067652
"1594011"	211.073128	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+K+HCOOH"	84.968628
"1417483"	241.104638	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+H+CF3COOH"	115.000138
"1152143"	125.599351	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+3ACN+2H"	125.094202
"1704978"	258.131185	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+NH4+CF3COOH"	132.026685
"1641722"	263.08658	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+Na+CF3COOH"	136.98208
"1574092"	279.06052	"C07287"	"Sulcatone;Methylheptenone;6-Methylhept-5-en-2-one;6-Methyl-5-hepten-2-one"	"C8H14O"	"126.1045"	"M+K+CF3COOH"	152.95602
"813207"	128.1201	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M"	0
"983459"	109.10171	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-H2O-H"	-19.01839
"73890"	84.406124	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M-3H"	-3.021828
"506887"	127.112824	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M-3H"	-3.021828
"889062"	41.699424	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-3H"	-3.021828
"8732"	127.112824	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M-2H"	-2.014552
"446110"	191.172874	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M-2H"	-2.014552
"827193"	63.052774	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-2H"	-2.014552
"89371"	255.232924	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M-H"	-1.007276
"526749"	383.353024	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M-H"	-1.007276
"901270"	127.112824	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-H"	-1.007276
"49084"	272.259471	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M-2H+NH4"	16.019271
"491924"	400.379571	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M-2H+NH4"	16.019271
"871913"	144.139371	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-2H+NH4"	16.019271
"44194"	277.214866	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M-2H+Na"	20.974666
"482659"	405.334966	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M-2H+Na"	20.974666
"861555"	149.094766	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-2H+Na"	20.974666
"1628900"	149.094766	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Na-2H"	20.974666
"105432"	145.101163	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M-H+Cl"	33.962126
"546083"	209.161213	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M-H+Cl"	33.962126
"933037"	81.041113	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-H+Cl"	33.962126
"281317"	291.209602	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+Cl"	34.969402
"672766"	419.329702	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+Cl"	34.969402
"1284074"	163.089502	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Cl"	34.969402
"27724"	293.188806	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M-2H+K"	36.948606
"469838"	421.308906	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M-2H+K"	36.948606
"846915"	165.068706	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-2H+K"	36.948606
"1565297"	165.068706	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+K-2H"	36.948606
"950992"	173.118294	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-H+HCOOH"	44.998194
"371394"	301.238401	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+HCOOH-H"	44.998201
"350903"	315.254051	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+Hac-H"	59.013851
"1493536"	187.133951	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Hac-H"	59.013851
"959861"	195.100251	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-H+NaCOOH"	66.980151
"112899"	163.089502	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+2Cl"	69.938804
"554646"	227.149552	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+2Cl"	69.938804
"1021623"	99.029452	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2Cl"	69.938804
"1244481"	207.038985	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Br"	78.918885
"1304333"	209.094972	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Cl+HCOOH"	80.974872
"1327350"	231.076929	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Cl+NaCOOH"	102.956829
"917318"	241.105686	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M-H+CF3COOH"	112.985586
"1291842"	277.082364	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Cl+CF3COOH"	148.962264
"1368543"	93.107424	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H-2H2O"	-35.012676
"1386406"	111.1174	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H-H2O"	-17.0027
"291563"	257.247476	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+H"	1.007276
"685077"	385.367576	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+H"	1.007276
"1366416"	129.127376	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H"	1.007276
"136506"	129.127376	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+2H"	2.014552
"577159"	193.187426	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+2H"	2.014552
"1040855"	65.067326	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2H"	2.014552
"213858"	86.420676	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+3H"	3.021828
"651231"	129.127376	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+3H"	3.021828
"1173733"	43.713976	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+3H"	3.021828
"433727"	274.274023	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+NH4"	18.033823
"792533"	402.394123	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+NH4"	18.033823
"1688863"	146.153923	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+NH4"	18.033823
"337142"	137.6406495	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+H+NH4"	19.041099
"729563"	201.7006995	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+H+NH4"	19.041099
"1486663"	73.5805995	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H+NH4"	19.041099
"396596"	279.229418	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+Na"	22.989218
"757959"	407.349518	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+Na"	22.989218
"1608982"	151.109318	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Na"	22.989218
"323393"	140.118347	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+H+Na"	23.996494
"714724"	204.178397	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+H+Na"	23.996494
"1472920"	76.058297	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H+Na"	23.996494
"1066165"	51.04129	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2H+Na"	25.00377
"1270033"	161.153586	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+CH3OH+H"	33.033486
"389700"	295.203358	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+K"	38.963158
"749601"	423.323458	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+K"	38.963158
"1550564"	167.083258	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+K"	38.963158
"308834"	148.105317	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+H+K"	39.970434
"700160"	212.165367	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+H+K"	39.970434
"1452519"	84.045267	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H+K"	39.970434
"242943"	298.274026	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+ACN+H"	42.033826
"1216746"	170.153926	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+ACN+H"	42.033826
"1200629"	85.580601	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+ACN+2H"	43.041102
"201524"	301.21136	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+2Na-H"	44.97116
"639263"	429.33146	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+2Na-H"	44.97116
"1141675"	173.09126	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2Na-H"	44.97116
"176584"	151.109318	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+2Na"	45.978436
"616874"	215.169368	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+2Na"	45.978436
"1118192"	87.049268	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2Na"	45.978436
"1401351"	58.368604	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H+2Na"	46.985712
"1441129"	175.132846	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H+HCOOH"	47.012746
"233381"	156.14234	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+3H2O+2H"	56.04448
"1522540"	189.18489	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+IsoProp+H"	61.06479
"419308"	159.096288	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+Na+K"	61.952376
"785044"	223.156338	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+Na+K"	61.952376
"1680890"	95.036238	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Na+K"	61.952376
"266439"	320.255968	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+ACN+Na"	64.015768
"1240235"	192.135868	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+ACN+Na"	64.015768
"1726943"	192.159393	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+NH4+HCOOH"	64.039293
"1192297"	65.695918	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+3Na"	68.967654
"1664252"	197.114788	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Na+HCOOH"	68.994688
"172331"	333.15924	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+2K-H"	76.91904
"612256"	461.27934	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+2K-H"	76.91904
"1098825"	205.03914	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2K-H"	76.91904
"156867"	167.083258	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"2M+2K"	77.926316
"593499"	231.143308	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"3M+2K"	77.926316
"1082021"	103.023208	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2K"	77.926316
"1114630"	207.053692	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2K+H"	78.933592
"1350285"	207.141307	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+DMSO+H"	79.021207
"1019299"	211.180476	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2ACN+H"	83.060376
"1536450"	212.174108	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+IsoProp+Na+H"	84.054008
"1002898"	106.093876	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+2ACN+2H"	84.067652
"1595215"	213.088728	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+K+HCOOH"	84.968628
"1426341"	243.120238	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+H+CF3COOH"	115.000138
"1155534"	126.607151	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+3ACN+2H"	125.094202
"1706182"	260.146785	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+NH4+CF3COOH"	132.026685
"1641832"	265.10218	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+Na+CF3COOH"	136.98208
"1574202"	281.07612	"C07288"	"Sulcatol;6-Methylhept-5-en-2-ol;6-Methyl-5-hepten-2-ol"	"C8H16O"	"128.1201"	"M+K+CF3COOH"	152.95602
"803476"	278.2246	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M"	0
"975910"	259.20621	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-H2O-H"	-19.01839
"68530"	184.475790666667	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M-3H"	-3.021828
"504079"	277.217324	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M-3H"	-3.021828
"883704"	91.7342573333333	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-3H"	-3.021828
"4470"	277.217324	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M-2H"	-2.014552
"446220"	416.329624	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M-2H"	-2.014552
"827303"	138.105024	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-2H"	-2.014552
"86201"	555.441924	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M-H"	-1.007276
"533419"	833.666524	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M-H"	-1.007276
"900288"	277.217324	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-H"	-1.007276
"51382"	572.468471	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M-2H+NH4"	16.019271
"494222"	850.693071	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M-2H+NH4"	16.019271
"869836"	294.243871	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-2H+NH4"	16.019271
"44304"	577.423866	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M-2H+Na"	20.974666
"483862"	855.648466	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M-2H+Na"	20.974666
"863366"	299.199266	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-2H+Na"	20.974666
"1626823"	299.199266	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Na-2H"	20.974666
"108821"	295.205663	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M-H+Cl"	33.962126
"546193"	434.317963	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M-H+Cl"	33.962126
"935334"	156.093363	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-H+Cl"	33.962126
"282242"	591.418602	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+Cl"	34.969402
"674941"	869.643202	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+Cl"	34.969402
"1284184"	313.194002	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Cl"	34.969402
"28564"	593.397806	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M-2H+K"	36.948606
"469584"	871.622406	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M-2H+K"	36.948606
"848117"	315.173206	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-2H+K"	36.948606
"1567594"	315.173206	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+K-2H"	36.948606
"951102"	323.222794	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-H+HCOOH"	44.998194
"371504"	601.447401	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+HCOOH-H"	44.998201
"348826"	615.463051	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+Hac-H"	59.013851
"1495469"	337.238451	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Hac-H"	59.013851
"960822"	345.204751	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-H+NaCOOH"	66.980151
"116290"	313.194002	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+2Cl"	69.938804
"556944"	452.306302	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+2Cl"	69.938804
"1024285"	174.081702	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2Cl"	69.938804
"1243863"	357.143485	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Br"	78.918885
"1304239"	359.199472	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Cl+HCOOH"	80.974872
"1323087"	381.181429	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Cl+NaCOOH"	102.956829
"921802"	391.210186	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M-H+CF3COOH"	112.985586
"1294139"	427.186864	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Cl+CF3COOH"	148.962264
"1372299"	243.211924	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H-2H2O"	-35.012676
"1386516"	261.2219	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H-H2O"	-17.0027
"291673"	557.456476	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+H"	1.007276
"685916"	835.681076	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+H"	1.007276
"1364093"	279.231876	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H"	1.007276
"136620"	279.231876	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+2H"	2.014552
"576177"	418.344176	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+2H"	2.014552
"1046067"	140.119576	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2H"	2.014552
"217615"	186.490342666667	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+3H"	3.021828
"657175"	279.231876	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+3H"	3.021828
"1174208"	93.7488093333333	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+3H"	3.021828
"434931"	574.483023	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+NH4"	18.033823
"795924"	852.707623	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+NH4"	18.033823
"1684234"	296.258423	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+NH4"	18.033823
"336158"	287.7451495	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+H+NH4"	19.041099
"728580"	426.8574495	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+H+NH4"	19.041099
"1485679"	148.6328495	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H+NH4"	19.041099
"404359"	579.438418	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+Na"	22.989218
"756610"	857.663018	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+Na"	22.989218
"1603866"	301.213818	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Na"	22.989218
"315725"	290.222847	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+H+Na"	23.996494
"717020"	429.335147	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+H+Na"	23.996494
"1473030"	151.110547	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H+Na"	23.996494
"1060807"	101.076123333333	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2H+Na"	25.00377
"1270142"	311.258086	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+CH3OH+H"	33.033486
"389810"	595.412358	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+K"	38.963158
"748617"	873.636958	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+K"	38.963158
"1549580"	317.187758	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+K"	38.963158
"308943"	298.209817	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+H+K"	39.970434
"700270"	437.322117	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+H+K"	39.970434
"1454086"	159.097517	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H+K"	39.970434
"243053"	598.483026	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+ACN+H"	42.033826
"1218678"	320.258426	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+ACN+H"	42.033826
"1200739"	160.632851	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+ACN+2H"	43.041102
"200905"	601.42036	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+2Na-H"	44.97116
"639371"	879.64496	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+2Na-H"	44.97116
"1139597"	323.19576	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2Na-H"	44.97116
"176694"	301.213818	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+2Na"	45.978436
"620264"	440.326118	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+2Na"	45.978436
"1118302"	162.101518	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2Na"	45.978436
"1405107"	108.403437333333	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H+2Na"	46.985712
"1441603"	325.237346	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H+HCOOH"	47.012746
"233126"	306.24684	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+3H2O+2H"	56.04448
"1521556"	339.28939	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+H"	61.06479
"421970"	309.200788	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+Na+K"	61.952376
"784058"	448.313088	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+Na+K"	61.952376
"1680387"	170.088488	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Na+K"	61.952376
"266753"	620.464968	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+ACN+Na"	64.015768
"1239252"	342.240368	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+ACN+Na"	64.015768
"1727904"	342.263893	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+NH4+HCOOH"	64.039293
"1194026"	115.730751333333	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+3Na"	68.967654
"1664728"	347.219288	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Na+HCOOH"	68.994688
"172724"	633.36824	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+2K-H"	76.91904
"612485"	911.59284	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+2K-H"	76.91904
"1099426"	355.14364	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2K-H"	76.91904
"156484"	317.187758	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"2M+2K"	77.926316
"592515"	456.300058	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"3M+2K"	77.926316
"1082494"	178.075458	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2K"	77.926316
"1114370"	357.158192	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2K+H"	78.933592
"1351126"	357.245807	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+DMSO+H"	79.021207
"1021197"	361.284976	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2ACN+H"	83.060376
"1537654"	362.278608	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+Na+H"	84.054008
"1001915"	181.146126	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+2ACN+2H"	84.067652
"1597513"	363.193228	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+K+HCOOH"	84.968628
"1426450"	393.224738	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+H+CF3COOH"	115.000138
"1156738"	201.659401	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+3ACN+2H"	125.094202
"1706292"	410.251285	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+NH4+CF3COOH"	132.026685
"1645222"	415.20668	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+Na+CF3COOH"	136.98208
"1577592"	431.18062	"C07289"	"Crepenynate;(9Z)-Octadec-9-en-12-ynoate;(Z)-9-Octadecen-12-ynoic acid;Crepenynic acid"	"C18H30O2"	"278.2246"	"M+K+CF3COOH"	152.95602
"806866"	368.126	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M"	0
"976021"	349.10761	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-H2O-H"	-19.01839
"66455"	244.410057333333	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M-3H"	-3.021828
"503460"	367.118724	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M-3H"	-3.021828
"882721"	121.701390666667	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-3H"	-3.021828
"1665"	367.118724	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M-2H"	-2.014552
"446330"	551.181724	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M-2H"	-2.014552
"825226"	183.055724	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-2H"	-2.014552
"86311"	735.244724	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M-H"	-1.007276
"530250"	1103.370724	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M-H"	-1.007276
"900398"	367.118724	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-H"	-1.007276
"49668"	752.271271	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M-2H+NH4"	16.019271
"494332"	1120.397271	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M-2H+NH4"	16.019271
"867758"	384.145271	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-2H+NH4"	16.019271
"44414"	757.226666	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M-2H+Na"	20.974666
"481786"	1125.352666	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M-2H+Na"	20.974666
"859588"	389.100666	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-2H+Na"	20.974666
"1624747"	389.100666	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Na-2H"	20.974666
"104559"	385.107063	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M-H+Cl"	33.962126
"539743"	569.170063	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M-H+Cl"	33.962126
"933257"	201.044063	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-H+Cl"	33.962126
"280566"	771.221402	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+Cl"	34.969402
"668611"	1139.347402	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+Cl"	34.969402
"1286848"	403.095402	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Cl"	34.969402
"29039"	773.200606	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M-2H+K"	36.948606
"469330"	1141.326606	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M-2H+K"	36.948606
"845309"	405.074606	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-2H+K"	36.948606
"1564424"	405.074606	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+K-2H"	36.948606
"949025"	413.124194	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-H+HCOOH"	44.998194
"368334"	781.250201	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+HCOOH-H"	44.998201
"347843"	795.265851	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+Hac-H"	59.013851
"1494486"	427.139851	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Hac-H"	59.013851
"959716"	435.106151	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-H+NaCOOH"	66.980151
"112026"	403.095402	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+2Cl"	69.938804
"553773"	587.158402	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+2Cl"	69.938804
"1021843"	219.032402	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2Cl"	69.938804
"1243608"	447.044885	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Br"	78.918885
"1304512"	449.100872	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Cl+HCOOH"	80.974872
"1322104"	471.082829	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Cl+NaCOOH"	102.956829
"919725"	481.111586	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M-H+CF3COOH"	112.985586
"1294249"	517.088264	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Cl+CF3COOH"	148.962264
"1372409"	333.113324	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H-2H2O"	-35.012676
"1389906"	351.1233	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H-H2O"	-17.0027
"295063"	737.259276	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+H"	1.007276
"686390"	1105.385276	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+H"	1.007276
"1364930"	369.133276	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H"	1.007276
"137823"	369.133276	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+2H"	2.014552
"576651"	553.196276	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+2H"	2.014552
"1048729"	185.070276	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2H"	2.014552
"217361"	246.424609333333	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+3H"	3.021828
"657285"	369.133276	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+3H"	3.021828
"1173225"	123.715942666667	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+3H"	3.021828
"434675"	754.285823	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+NH4"	18.033823
"793847"	1122.411823	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+NH4"	18.033823
"1683616"	386.159823	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+NH4"	18.033823
"336268"	377.6465495	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+H+NH4"	19.041099
"730877"	561.7095495	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+H+NH4"	19.041099
"1486882"	193.5835495	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H+NH4"	19.041099
"402283"	759.241218	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+Na"	22.989218
"756720"	1127.367218	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+Na"	22.989218
"1604826"	391.115218	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Na"	22.989218
"315107"	380.124247	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+H+Na"	23.996494
"718952"	564.187247	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+H+Na"	23.996494
"1474233"	196.061247	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H+Na"	23.996494
"1065296"	131.043256666667	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2H+Na"	25.00377
"1268069"	401.159486	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+CH3OH+H"	33.033486
"387736"	775.215158	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+K"	38.963158
"746546"	1143.341158	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+K"	38.963158
"1548595"	407.089158	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+K"	38.963158
"305774"	388.111217	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+H+K"	39.970434
"704027"	572.174217	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+H+K"	39.970434
"1450919"	204.048217	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H+K"	39.970434
"240615"	778.285826	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+ACN+H"	42.033826
"1218790"	410.159826	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+ACN+H"	42.033826
"1200485"	205.583551	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+ACN+2H"	43.041102
"198828"	781.22316	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+2Na-H"	44.97116
"638387"	1149.34916	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+2Na-H"	44.97116
"1135336"	413.09716	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2Na-H"	44.97116
"178626"	391.115218	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+2Na"	45.978436
"621467"	575.178218	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+2Na"	45.978436
"1117320"	207.052218	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2Na"	45.978436
"1404125"	138.370570666667	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H+2Na"	46.985712
"1441714"	415.138746	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H+HCOOH"	47.012746
"231412"	396.14824	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+3H2O+2H"	56.04448
"1521665"	429.19079	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+IsoProp+H"	61.06479
"421713"	399.102188	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+Na+K"	61.952376
"783075"	583.165188	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+Na+K"	61.952376
"1675391"	215.039188	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Na+K"	61.952376
"257537"	800.267768	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+ACN+Na"	64.015768
"1239726"	432.141768	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+ACN+Na"	64.015768
"1728099"	432.165293	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+NH4+HCOOH"	64.039293
"1194060"	145.697884666667	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+3Na"	68.967654
"1665158"	437.120688	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Na+HCOOH"	68.994688
"172589"	813.17104	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+2K-H"	76.91904
"612677"	1181.29704	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+2K-H"	76.91904
"1099371"	445.04504	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2K-H"	76.91904
"156469"	407.089158	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"2M+2K"	77.926316
"594448"	591.152158	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"3M+2K"	77.926316
"1084109"	223.026158	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2K"	77.926316
"1115334"	447.059592	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2K+H"	78.933592
"1351208"	447.147207	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+DMSO+H"	79.021207
"1017453"	451.186376	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2ACN+H"	83.060376
"1536671"	452.180008	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+IsoProp+Na+H"	84.054008
"1002754"	226.096826	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+2ACN+2H"	84.067652
"1599810"	453.094628	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+K+HCOOH"	84.968628
"1426560"	483.126138	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+H+CF3COOH"	115.000138
"1157942"	246.610101	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+3ACN+2H"	125.094202
"1705305"	500.152685	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+NH4+CF3COOH"	132.026685
"1644239"	505.10808	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+Na+CF3COOH"	136.98208
"1577702"	521.08202	"C07290"	"7-O-Methylluteone"	"C21H20O6"	"368.126"	"M+K+CF3COOH"	152.95602
"815729"	139.9455	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M"	0
"984888"	120.92711	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-H2O-H"	-19.01839
"72041"	92.289724	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M-3H"	-3.021828
"508320"	138.938224	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M-3H"	-3.021828
"890495"	45.641224	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-3H"	-3.021828
"10166"	138.938224	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M-2H"	-2.014552
"453740"	208.910974	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M-2H"	-2.014552
"828625"	68.965474	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-2H"	-2.014552
"87523"	278.883724	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M-H"	-1.007276
"531093"	418.829224	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M-H"	-1.007276
"904885"	138.938224	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-H"	-1.007276
"59264"	295.910271	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M-2H+NH4"	16.019271
"498825"	435.855771	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M-2H+NH4"	16.019271
"877358"	155.964771	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-2H+NH4"	16.019271
"43433"	300.865666	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M-2H+Na"	20.974666
"485065"	440.811166	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M-2H+Na"	20.974666
"861893"	160.920166	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-2H+Na"	20.974666
"1631793"	160.920166	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Na-2H"	20.974666
"101397"	156.926563	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M-H+Cl"	33.962126
"547519"	226.899313	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M-H+Cl"	33.962126
"937754"	86.953813	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-H+Cl"	33.962126
"279591"	314.860402	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+Cl"	34.969402
"669822"	454.805902	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+Cl"	34.969402
"1282227"	174.914902	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Cl"	34.969402
"22595"	316.839606	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M-2H+K"	36.948606
"466528"	456.785106	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M-2H+K"	36.948606
"842143"	176.894106	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-2H+K"	36.948606
"1566723"	176.894106	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+K-2H"	36.948606
"955697"	184.943694	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-H+HCOOH"	44.998194
"371725"	324.889201	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+HCOOH-H"	44.998201
"351233"	338.904851	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+Hac-H"	59.013851
"1498972"	198.959351	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Hac-H"	59.013851
"965421"	206.925651	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-H+NaCOOH"	66.980151
"115420"	174.914902	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+2Cl"	69.938804
"553159"	244.887652	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+2Cl"	69.938804
"1036549"	104.942152	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2Cl"	69.938804
"1247742"	218.864385	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Br"	78.918885
"1318219"	220.920372	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Cl+HCOOH"	80.974872
"1334861"	242.902329	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Cl+NaCOOH"	102.956829
"925680"	252.931086	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M-H+CF3COOH"	112.985586
"1301661"	288.907764	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Cl+CF3COOH"	148.962264
"1380553"	104.932824	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H-2H2O"	-35.012676
"1398013"	122.9428	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H-H2O"	-17.0027
"297981"	280.898276	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+H"	1.007276
"690402"	420.843776	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+H"	1.007276
"1363954"	140.952776	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H"	1.007276
"136840"	140.952776	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+2H"	2.014552
"576763"	210.925526	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+2H"	2.014552
"1049581"	70.980026	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2H"	2.014552
"216387"	94.304276	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+3H"	3.021828
"657041"	140.952776	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+3H"	3.021828
"1176263"	47.655776	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+3H"	3.021828
"437708"	297.924823	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+NH4"	18.033823
"799674"	437.870323	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+NH4"	18.033823
"1693576"	157.979323	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+NH4"	18.033823
"337476"	149.4660495	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+H+NH4"	19.041099
"731726"	219.4387995	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+H+NH4"	19.041099
"1485916"	79.4932995	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H+NH4"	19.041099
"401315"	302.880218	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+Na"	22.989218
"764499"	442.825718	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+Na"	22.989218
"1613692"	162.934718	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Na"	22.989218
"322273"	151.943747	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+H+Na"	23.996494
"711779"	221.916497	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+H+Na"	23.996494
"1465599"	81.970997	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H+Na"	23.996494
"1061033"	54.98309	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2H+Na"	25.00377
"1265992"	172.978986	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+CH3OH+H"	33.033486
"384568"	318.854158	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+K"	38.963158
"752126"	458.799658	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+K"	38.963158
"1543243"	178.908658	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+K"	38.963158
"308072"	159.930717	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+H+K"	39.970434
"701588"	229.903467	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+H+K"	39.970434
"1455408"	89.957967	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H+K"	39.970434
"245103"	321.924826	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+ACN+H"	42.033826
"1216719"	181.979326	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+ACN+H"	42.033826
"1200601"	91.493301	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+ACN+2H"	43.041102
"196757"	324.86216	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+2Na-H"	44.97116
"630971"	464.80766	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+2Na-H"	44.97116
"1140917"	184.91666	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2Na-H"	44.97116
"178740"	162.934718	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+2Na"	45.978436
"623045"	232.907468	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+2Na"	45.978436
"1120717"	92.961968	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2Na"	45.978436
"1404606"	62.310404	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H+2Na"	46.985712
"1433806"	186.958246	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H+HCOOH"	47.012746
"231522"	167.96774	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+3H2O+2H"	56.04448
"1518489"	201.01029	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+IsoProp+H"	61.06479
"420363"	170.921688	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+Na+K"	61.952376
"775891"	240.894438	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+Na+K"	61.952376
"1677327"	100.948938	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Na+K"	61.952376
"259839"	343.906768	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+ACN+Na"	64.015768
"1234736"	203.961268	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+ACN+Na"	64.015768
"1718153"	203.984793	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+NH4+HCOOH"	64.039293
"1183507"	69.637718	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+3Na"	68.967654
"1656679"	208.940188	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Na+HCOOH"	68.994688
"164636"	356.81004	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+2K-H"	76.91904
"600187"	496.75554	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+2K-H"	76.91904
"1086885"	216.86454	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2K-H"	76.91904
"144066"	178.908658	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"2M+2K"	77.926316
"584354"	248.881408	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"3M+2K"	77.926316
"1069231"	108.935908	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2K"	77.926316
"1101344"	218.879092	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2K+H"	78.933592
"1337002"	218.966707	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+DMSO+H"	79.021207
"1006625"	223.005876	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2ACN+H"	83.060376
"1527303"	223.999508	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+IsoProp+Na+H"	84.054008
"991565"	112.006576	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+2ACN+2H"	84.067652
"1591175"	224.914128	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+K+HCOOH"	84.968628
"1417197"	254.945638	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+H+CF3COOH"	115.000138
"1150768"	132.519851	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+3ACN+2H"	125.094202
"1702142"	271.972185	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+NH4+CF3COOH"	132.026685
"1645446"	276.92758	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+Na+CF3COOH"	136.98208
"1580003"	292.90152	"C07294"	"Methylarsonate;Methylarsonic acid;MAA"	"CH5AsO3"	"139.9455"	"M+K+CF3COOH"	152.95602
"815838"	123.9506	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M"	0
"986091"	104.93221	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-H2O-H"	-19.01839
"75433"	81.6264573333333	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M-3H"	-3.021828
"510619"	122.943324	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M-3H"	-3.021828
"891700"	40.3095906666667	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-3H"	-3.021828
"13557"	122.943324	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M-2H"	-2.014552
"450935"	184.918624	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M-2H"	-2.014552
"827642"	60.968024	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-2H"	-2.014552
"87633"	246.893924	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M-H"	-1.007276
"528287"	370.844524	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M-H"	-1.007276
"903901"	122.943324	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-H"	-1.007276
"55003"	263.920471	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M-2H+NH4"	16.019271
"494561"	387.871071	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M-2H+NH4"	16.019271
"874550"	139.969871	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-2H+NH4"	16.019271
"44275"	268.875866	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M-2H+Na"	20.974666
"483105"	392.826466	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M-2H+Na"	20.974666
"859453"	144.925266	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-2H+Na"	20.974666
"1628259"	144.925266	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Na-2H"	20.974666
"97133"	140.931663	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M-H+Cl"	33.962126
"538881"	202.906963	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M-H+Cl"	33.962126
"934581"	78.956363	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-H+Cl"	33.962126
"277511"	282.870602	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+Cl"	34.969402
"667747"	406.821202	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+Cl"	34.969402
"1279056"	158.920002	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Cl"	34.969402
"21610"	284.849806	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M-2H+K"	36.948606
"461170"	408.800406	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M-2H+K"	36.948606
"845533"	160.899206	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-2H+K"	36.948606
"1565739"	160.899206	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+K-2H"	36.948606
"950340"	168.948794	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-H+HCOOH"	44.998194
"361600"	292.899401	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+HCOOH-H"	44.998201
"348061"	306.915051	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+Hac-H"	59.013851
"1495070"	182.964451	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Hac-H"	59.013851
"961158"	190.930751	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-H+NaCOOH"	66.980151
"113341"	158.920002	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+2Cl"	69.938804
"552903"	220.895302	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+2Cl"	69.938804
"1032646"	96.944702	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2Cl"	69.938804
"1250038"	202.869485	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Br"	78.918885
"1315770"	204.925472	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Cl+HCOOH"	80.974872
"1332173"	226.907429	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Cl+NaCOOH"	102.956829
"924329"	236.936186	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M-H+CF3COOH"	112.985586
"1298847"	272.912864	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Cl+CF3COOH"	148.962264
"1378101"	88.937924	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H-2H2O"	-35.012676
"1397798"	106.9479	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H-H2O"	-17.0027
"297119"	248.908476	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+H"	1.007276
"689175"	372.859076	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+H"	1.007276
"1365159"	124.957876	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H"	1.007276
"137679"	124.957876	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+2H"	2.014552
"576507"	186.933176	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+2H"	2.014552
"1050056"	62.982576	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2H"	2.014552
"217590"	83.6410093333333	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+3H"	3.021828
"656053"	124.957876	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+3H"	3.021828
"1176732"	42.3241426666667	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+3H"	3.021828
"438791"	265.935023	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+NH4"	18.033823
"795164"	389.885623	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+NH4"	18.033823
"1694411"	141.984423	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+NH4"	18.033823
"337585"	133.4711495	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+H+NH4"	19.041099
"732200"	195.4464495	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+H+NH4"	19.041099
"1486026"	71.4958495	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H+NH4"	19.041099
"405434"	270.890418	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+Na"	22.989218
"767525"	394.841018	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+Na"	22.989218
"1614167"	146.939818	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Na"	22.989218
"321653"	135.948847	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+H+Na"	23.996494
"711889"	197.924147	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+H+Na"	23.996494
"1468990"	73.973547	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H+Na"	23.996494
"1062237"	49.6514566666667	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2H+Na"	25.00377
"1269383"	156.984086	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+CH3OH+H"	33.033486
"389054"	286.864358	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+K"	38.963158
"752236"	410.814958	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+K"	38.963158
"1551007"	162.913758	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+K"	38.963158
"307089"	143.935817	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+H+K"	39.970434
"704252"	205.911117	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+H+K"	39.970434
"1454425"	81.960517	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H+K"	39.970434
"245213"	289.935026	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+ACN+H"	42.033826
"1217923"	165.984426	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+ACN+H"	42.033826
"1201804"	83.495851	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+ACN+2H"	43.041102
"193587"	292.87236	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+2Na-H"	44.97116
"630960"	416.82296	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+2Na-H"	44.97116
"1139934"	168.92176	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2Na-H"	44.97116
"178850"	146.939818	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+2Na"	45.978436
"623886"	208.915118	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+2Na"	45.978436
"1126296"	84.964518	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2Na"	45.978436
"1409456"	56.9787706666667	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H+2Na"	46.985712
"1438292"	170.963346	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H+HCOOH"	47.012746
"232361"	151.97284	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+3H2O+2H"	56.04448
"1519693"	185.01539	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+IsoProp+H"	61.06479
"417193"	154.926788	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+Na+K"	61.952376
"776001"	216.902088	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+Na+K"	61.952376
"1673427"	92.951488	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Na+K"	61.952376
"262500"	311.916968	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+ACN+Na"	64.015768
"1234846"	187.966368	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+ACN+Na"	64.015768
"1720449"	187.989893	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+NH4+HCOOH"	64.039293
"1184711"	64.3060846666667	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+3Na"	68.967654
"1656791"	192.945288	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Na+HCOOH"	68.994688
"163653"	324.82024	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+2K-H"	76.91904
"603213"	448.77084	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+2K-H"	76.91904
"1089912"	200.86964	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2K-H"	76.91904
"143812"	162.913758	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"2M+2K"	77.926316
"587383"	224.889058	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"3M+2K"	77.926316
"1071895"	100.938458	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2K"	77.926316
"1101822"	202.884192	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2K+H"	78.933592
"1337477"	202.971807	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+DMSO+H"	79.021207
"1008195"	207.010976	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2ACN+H"	83.060376
"1525226"	208.004608	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+IsoProp+Na+H"	84.054008
"993498"	104.009126	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+2ACN+2H"	84.067652
"1594565"	208.919228	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+K+HCOOH"	84.968628
"1418039"	238.950738	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+H+CF3COOH"	115.000138
"1153796"	124.522401	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+3ACN+2H"	125.094202
"1704439"	255.977285	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+NH4+CF3COOH"	132.026685
"1645557"	260.93268	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+Na+CF3COOH"	136.98208
"1580113"	276.90662	"C07295"	"Methanearsonous acid;Methylarsonite"	"CH5AsO2"	"123.9506"	"M+K+CF3COOH"	152.95602
"816885"	1005.3449	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M"	0
"980732"	986.32651	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H2O-H"	-19.01839
"73355"	669.222657333333	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-3H"	-3.021828
"509634"	1004.337624	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-3H"	-3.021828
"891808"	334.107690666667	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-3H"	-3.021828
"11480"	1004.337624	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H"	-2.014552
"446667"	1507.010074	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H"	-2.014552
"824468"	501.665174	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H"	-2.014552
"83366"	2009.682524	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-H"	-1.007276
"528397"	3015.027424	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-H"	-1.007276
"904011"	1004.337624	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H"	-1.007276
"59120"	2026.709071	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H+NH4"	16.019271
"501230"	3032.053971	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H+NH4"	16.019271
"876478"	1021.364171	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H+NH4"	16.019271
"45842"	2031.664466	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H+Na"	20.974666
"484675"	3037.009366	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H+Na"	20.974666
"859927"	1026.319566	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H+Na"	20.974666
"1629462"	1026.319566	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na-2H"	20.974666
"97243"	1022.325963	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-H+Cl"	33.962126
"542271"	1524.998413	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-H+Cl"	33.962126
"937974"	519.653513	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+Cl"	33.962126
"278715"	2045.659202	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Cl"	34.969402
"670043"	3051.004102	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+Cl"	34.969402
"1279166"	1040.314302	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl"	34.969402
"21720"	2047.638406	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M-2H+K"	36.948606
"461280"	3052.983306	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M-2H+K"	36.948606
"846736"	1042.293506	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-2H+K"	36.948606
"1563662"	1042.293506	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K-2H"	36.948606
"947170"	1050.343094	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+HCOOH"	44.998194
"365748"	2055.688001	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+HCOOH-H"	44.998201
"351452"	2069.703651	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Hac-H"	59.013851
"1499189"	1064.358751	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Hac-H"	59.013851
"962726"	1072.325051	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+NaCOOH"	66.980151
"114909"	1040.314302	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2Cl"	69.938804
"555199"	1542.986752	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2Cl"	69.938804
"1032756"	537.641852	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2Cl"	69.938804
"1255251"	1084.263785	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Br"	78.918885
"1318066"	1086.319772	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl+HCOOH"	80.974872
"1332283"	1108.301729	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl+NaCOOH"	102.956829
"926261"	1118.330486	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M-H+CF3COOH"	112.985586
"1299686"	1154.307164	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Cl+CF3COOH"	148.962264
"1379304"	970.332224	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H-2H2O"	-35.012676
"1398152"	988.3422	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H-H2O"	-17.0027
"297229"	2011.697076	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H"	1.007276
"690988"	3017.041976	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H"	1.007276
"1365880"	1006.352176	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H"	1.007276
"140588"	1006.352176	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2H"	2.014552
"578079"	1509.024626	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2H"	2.014552
"1051257"	503.679726	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2H"	2.014552
"219037"	671.237209333333	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+3H"	3.021828
"657257"	1006.352176	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+3H"	3.021828
"1177570"	336.122242666667	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+3H"	3.021828
"439549"	2028.723623	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+NH4"	18.033823
"795274"	3034.068523	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+NH4"	18.033823
"1688324"	1023.378723	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+NH4"	18.033823
"337695"	1014.8654495	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H+NH4"	19.041099
"734497"	1517.5378995	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H+NH4"	19.041099
"1487229"	512.1929995	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+NH4"	19.041099
"405544"	2033.679018	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Na"	22.989218
"769458"	3039.023918	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+Na"	22.989218
"1616707"	1028.334118	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na"	22.989218
"322855"	1017.343147	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H+Na"	23.996494
"718556"	1520.015597	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H+Na"	23.996494
"1473471"	514.670697	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+Na"	23.996494
"1062347"	343.449556666667	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2H+Na"	25.00377
"1269493"	1038.378386	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+CH3OH+H"	33.033486
"391840"	2049.652958	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+K"	38.963158
"750160"	3054.997858	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+K"	38.963158
"1551118"	1044.308058	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K"	38.963158
"307199"	1025.330117	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+H+K"	39.970434
"702903"	1528.002567	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+H+K"	39.970434
"1456723"	522.657667	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+K"	39.970434
"245323"	2052.723626	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+ACN+H"	42.033826
"1216940"	1047.378726	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+ACN+H"	42.033826
"1200821"	524.193001	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+ACN+2H"	43.041102
"190415"	2055.66096	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2Na-H"	44.97116
"629604"	3061.00586	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2Na-H"	44.97116
"1141137"	1050.31606	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2Na-H"	44.97116
"180053"	1028.334118	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2Na"	45.978436
"623996"	1531.006568	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2Na"	45.978436
"1123856"	525.661668	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2Na"	45.978436
"1405192"	350.776870666667	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+2Na"	46.985712
"1435121"	1052.357646	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+HCOOH"	47.012746
"231742"	1033.36714	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+3H2O+2H"	56.04448
"1513608"	1066.40969	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+IsoProp+H"	61.06479
"409648"	1036.321088	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+Na+K"	61.952376
"776112"	1538.993538	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+Na+K"	61.952376
"1669163"	533.648638	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na+K"	61.952376
"258964"	2074.705568	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+ACN+Na"	64.015768
"1233860"	1069.360668	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+ACN+Na"	64.015768
"1720559"	1069.384193	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+NH4+HCOOH"	64.039293
"1183727"	358.104184666667	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+3Na"	68.967654
"1656902"	1074.339588	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na+HCOOH"	68.994688
"165951"	2087.60884	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2K-H"	76.91904
"599314"	3092.95374	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2K-H"	76.91904
"1090022"	1082.26394	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2K-H"	76.91904
"142828"	1044.308058	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"2M+2K"	77.926316
"584577"	1546.980508	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"3M+2K"	77.926316
"1072005"	541.635608	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2K"	77.926316
"1102296"	1084.278492	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2K+H"	78.933592
"1338317"	1084.366107	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+DMSO+H"	79.021207
"1007940"	1088.405276	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2ACN+H"	83.060376
"1528253"	1089.398908	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+IsoProp+Na+H"	84.054008
"994704"	544.706276	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+2ACN+2H"	84.067652
"1591396"	1090.313528	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K+HCOOH"	84.968628
"1417056"	1120.345038	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+H+CF3COOH"	115.000138
"1153906"	565.219551	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+3ACN+2H"	125.094202
"1702362"	1137.371585	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+NH4+CF3COOH"	132.026685
"1645666"	1142.32698	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+Na+CF3COOH"	136.98208
"1580223"	1158.30092	"C07296"	"4812-Trimethyltridecanoyl-CoA"	"C37H66N7O17P3S"	"1005.3449"	"M+K+CF3COOH"	152.95602
"814965"	1061.3711	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M"	0
"981936"	1042.35271	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-H2O-H"	-19.01839
"74560"	706.573457333333	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M-3H"	-3.021828
"509745"	1060.363824	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M-3H"	-3.021828
"893012"	352.783090666667	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-3H"	-3.021828
"11590"	1060.363824	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M-2H"	-2.014552
"448963"	1591.049374	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M-2H"	-2.014552
"824578"	529.678274	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-2H"	-2.014552
"81654"	2121.734924	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M-H"	-1.007276
"529600"	3183.106024	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M-H"	-1.007276
"905214"	1060.363824	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-H"	-1.007276
"58868"	2138.761471	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M-2H+NH4"	16.019271
"501948"	3200.132571	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M-2H+NH4"	16.019271
"877924"	1077.390371	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-2H+NH4"	16.019271
"45950"	2143.716866	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M-2H+Na"	20.974666
"485513"	3205.087966	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M-2H+Na"	20.974666
"861131"	1082.345766	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-2H+Na"	20.974666
"1631759"	1082.345766	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Na-2H"	20.974666
"105008"	1078.352163	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M-H+Cl"	33.962126
"546391"	1609.037713	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M-H+Cl"	33.962126
"939543"	547.666613	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-H+Cl"	33.962126
"281011"	2157.711602	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+Cl"	34.969402
"669059"	3219.082702	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+Cl"	34.969402
"1283650"	1096.340502	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Cl"	34.969402
"24017"	2159.690806	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M-2H+K"	36.948606
"461390"	3221.061906	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M-2H+K"	36.948606
"847575"	1098.319706	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-2H+K"	36.948606
"1564865"	1098.319706	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+K-2H"	36.948606
"950561"	1106.369294	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-H+HCOOH"	44.998194
"370963"	2167.740401	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+HCOOH-H"	44.998201
"351566"	2181.756051	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+Hac-H"	59.013851
"1497845"	1120.384951	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Hac-H"	59.013851
"963565"	1128.351251	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-H+NaCOOH"	66.980151
"116113"	1096.340502	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+2Cl"	69.938804
"556407"	1627.026052	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+2Cl"	69.938804
"1035055"	565.654952	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2Cl"	69.938804
"1251353"	1140.289985	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Br"	78.918885
"1313803"	1142.345972	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Cl+HCOOH"	80.974872
"1333130"	1164.327929	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Cl+NaCOOH"	102.956829
"924188"	1174.356686	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M-H+CF3COOH"	112.985586
"1303084"	1210.333364	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Cl+CF3COOH"	148.962264
"1379420"	1026.358424	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H-2H2O"	-35.012676
"1398355"	1044.3684	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H-H2O"	-17.0027
"296609"	2123.749476	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+H"	1.007276
"690695"	3185.120576	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+H"	1.007276
"1366801"	1062.378376	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H"	1.007276
"141270"	1062.378376	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+2H"	2.014552
"580625"	1593.063926	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+2H"	2.014552
"1051613"	531.692826	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2H"	2.014552
"218541"	708.588009333333	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+3H"	3.021828
"658464"	1062.378376	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+3H"	3.021828
"1176836"	354.797642666667	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+3H"	3.021828
"436943"	2140.776023	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+NH4"	18.033823
"798669"	3202.147123	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+NH4"	18.033823
"1693539"	1079.404923	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+NH4"	18.033823
"337807"	1070.8916495	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+H+NH4"	19.041099
"734607"	1601.5771995	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+H+NH4"	19.041099
"1486243"	540.2060995	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H+NH4"	19.041099
"401643"	2145.731418	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+Na"	22.989218
"768837"	3207.102518	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+Na"	22.989218
"1618433"	1084.360318	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Na"	22.989218
"329730"	1073.369347	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+H+Na"	23.996494
"719760"	1604.054897	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+H+Na"	23.996494
"1473580"	542.683797	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H+Na"	23.996494
"1064637"	362.124956666667	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2H+Na"	25.00377
"1269603"	1094.404586	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+CH3OH+H"	33.033486
"392403"	2161.705358	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+K"	38.963158
"752456"	3223.076458	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+K"	38.963158
"1552322"	1100.334258	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+K"	38.963158
"312777"	1081.356317	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+H+K"	39.970434
"706293"	1612.041867	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+H+K"	39.970434
"1459019"	550.670767	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H+K"	39.970434
"246527"	2164.776026	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+ACN+H"	42.033826
"1222515"	1103.404926	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+ACN+H"	42.033826
"1202027"	552.206101	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+ACN+2H"	43.041102
"189432"	2167.71336	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+2Na-H"	44.97116
"629351"	3229.08446	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+2Na-H"	44.97116
"1137967"	1106.34226	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2Na-H"	44.97116
"173113"	1084.360318	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+2Na"	45.978436
"625930"	1615.045868	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+2Na"	45.978436
"1126517"	553.674768	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2Na"	45.978436
"1407853"	369.452270666667	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H+2Na"	46.985712
"1442159"	1108.383846	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H+HCOOH"	47.012746
"227479"	1089.39334	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+3H2O+2H"	56.04448
"1512625"	1122.43589	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+IsoProp+H"	61.06479
"416321"	1092.347288	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+Na+K"	61.952376
"779503"	1623.032838	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+Na+K"	61.952376
"1673647"	561.661738	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Na+K"	61.952376
"260167"	2186.757968	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+ACN+Na"	64.015768
"1233969"	1125.386868	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+ACN+Na"	64.015768
"1720670"	1125.410393	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+NH4+HCOOH"	64.039293
"1184930"	376.779584666667	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+3Na"	68.967654
"1657011"	1130.365788	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Na+HCOOH"	68.994688
"163873"	2199.66124	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+2K-H"	76.91904
"599423"	3261.03234	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+2K-H"	76.91904
"1091225"	1138.29014	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2K-H"	76.91904
"145857"	1100.334258	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"2M+2K"	77.926316
"588697"	1631.019808	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"3M+2K"	77.926316
"1072115"	569.648708	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2K"	77.926316
"1103136"	1140.304692	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2K+H"	78.933592
"1340614"	1140.392307	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+DMSO+H"	79.021207
"1006956"	1144.431476	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2ACN+H"	83.060376
"1530550"	1145.425108	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+IsoProp+Na+H"	84.054008
"994814"	572.719376	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+2ACN+2H"	84.067652
"1591506"	1146.339728	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+K+HCOOH"	84.968628
"1417165"	1176.371238	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+H+CF3COOH"	115.000138
"1150733"	593.232651	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+3ACN+2H"	125.094202
"1702472"	1193.397785	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+NH4+CF3COOH"	132.026685
"1645776"	1198.35318	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+Na+CF3COOH"	136.98208
"1580333"	1214.32712	"C07297"	"3-Oxopristanoyl-CoA"	"C40H70N7O18P3S"	"1061.3711"	"M+K+CF3COOH"	152.95602
"815808"	151.0633	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M"	0
"986425"	132.04491	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"69199"	99.7015906666667	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"507667"	150.056024	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"887654"	49.3471573333333	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"6231"	150.056024	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"447979"	225.587674	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"820315"	74.524374	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"82492"	301.119324	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"524243"	452.182624	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"899857"	150.056024	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"52046"	318.145871	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"500356"	469.209171	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"877432"	167.082571	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"45698"	323.101266	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"485260"	474.164566	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"861610"	172.037966	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1626404"	172.037966	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"107308"	168.044363	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"547599"	243.576013	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"939651"	92.512713	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"279669"	337.096002	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"668073"	488.159302	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1279384"	186.032702	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"24127"	339.075206	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"464780"	490.138506	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"847321"	188.011906	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1566069"	188.011906	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"950671"	196.061494	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"373263"	347.124801	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"351676"	361.140451	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1502332"	210.077151	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"970240"	218.043451	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"121336"	186.032702	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"565151"	261.564352	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1035907"	110.501052	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1256220"	229.982185	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1319026"	232.038172	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1334577"	254.020129	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"925754"	264.048886	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1303566"	300.025564	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1380995"	116.050624	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1397033"	134.0606	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"298181"	303.133876	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"690970"	454.197176	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1366588"	152.070576	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"136920"	152.070576	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"577209"	227.602226	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1050024"	76.538926	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"219018"	101.716142666667	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"656393"	152.070576	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1177795"	51.3617093333333	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"439728"	320.160423	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"800970"	471.223723	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1692924"	169.097123	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"344856"	160.5838495	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"734359"	236.1154995	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1491464"	85.0521995	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"407350"	325.115818	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"764942"	476.179118	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1617170"	174.052518	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"329761"	163.061547	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"720966"	238.593197	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1474789"	87.529897	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1060378"	58.6890233333333	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1265338"	184.096786	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"385009"	341.089758	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"743817"	492.153058	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1549150"	190.026458	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"310699"	171.048517	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"703126"	246.580167	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1460227"	95.516867	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"244455"	344.160426	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1214975"	193.097126	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1202141"	97.052201	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"199390"	347.09776	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"642229"	498.16106	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1138447"	196.03446	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"181373"	174.052518	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"623120"	249.584168	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1128451"	98.520868	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1407964"	66.0163373333333	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1438987"	198.076046	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"228683"	179.08554	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1513465"	212.12809	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"417524"	182.039488	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"780706"	257.571138	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1677765"	106.507838	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"262462"	366.142368	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1236267"	215.079068	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1721874"	215.102593	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1186135"	73.3436513333333	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1657122"	220.057988	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"166169"	379.04564	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"604638"	530.10894	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1090242"	227.98234	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"147058"	190.026458	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"587709"	265.558108	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1072222"	114.494808	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1106526"	229.996892	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1341818"	230.084507	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1008525"	234.123676	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1528105"	235.117308	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"997106"	117.565476	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1589787"	236.031928	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1418364"	266.063438	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1150837"	138.078751	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1699299"	283.089985	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1638232"	288.04538	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1574977"	304.01932	"C07301"	"(R)-Mandelamide"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"814095"	961.1731	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M"	0
"984348"	942.15471	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H2O-H"	-19.01839
"63842"	639.774790666667	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-3H"	-3.021828
"505589"	960.165824	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-3H"	-3.021828
"881204"	319.383757333333	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-3H"	-3.021828
"995"	960.165824	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H"	-2.014552
"442622"	1440.752374	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H"	-2.014552
"818238"	479.579274	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H"	-2.014552
"79117"	1921.338924	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-H"	-1.007276
"518679"	2882.512024	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-H"	-1.007276
"896317"	960.165824	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H"	-1.007276
"49969"	1938.365471	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H+NH4"	16.019271
"500466"	2899.538571	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H+NH4"	16.019271
"878999"	977.192371	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H+NH4"	16.019271
"45080"	1943.320866	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H+Na"	20.974666
"485372"	2904.493966	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H+Na"	20.974666
"862084"	982.147766	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H+Na"	20.974666
"1626514"	982.147766	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na-2H"	20.974666
"108513"	978.154163	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-H+Cl"	33.962126
"548072"	1458.740713	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-H+Cl"	33.962126
"938303"	497.567613	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+Cl"	33.962126
"278682"	1957.315602	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Cl"	34.969402
"669276"	2918.488702	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+Cl"	34.969402
"1281681"	996.142502	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl"	34.969402
"24237"	1959.294806	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H+K"	36.948606
"464890"	2920.467906	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H+K"	36.948606
"845608"	998.121706	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H+K"	36.948606
"1565086"	998.121706	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K-2H"	36.948606
"949688"	1006.171294	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+HCOOH"	44.998194
"370091"	1967.344401	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+HCOOH-H"	44.998201
"351786"	1981.360051	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Hac-H"	59.013851
"1500619"	1020.186951	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Hac-H"	59.013851
"968163"	1028.153251	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+NaCOOH"	66.980151
"121446"	996.142502	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2Cl"	69.938804
"565017"	1476.729052	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2Cl"	69.938804
"1036665"	515.555952	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2Cl"	69.938804
"1255966"	1040.091985	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Br"	78.918885
"1319745"	1042.147972	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl+HCOOH"	80.974872
"1335214"	1064.129929	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl+NaCOOH"	102.956829
"926228"	1074.158686	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+CF3COOH"	112.985586
"1303678"	1110.135364	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl+CF3COOH"	148.962264
"1382201"	926.160424	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H-2H2O"	-35.012676
"1398309"	944.1704	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H-H2O"	-17.0027
"298450"	1923.353476	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H"	1.007276
"691237"	2884.526576	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H"	1.007276
"1364503"	962.180376	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H"	1.007276
"139217"	962.180376	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2H"	2.014552
"578412"	1442.766926	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2H"	2.014552
"1050860"	481.593826	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2H"	2.014552
"216211"	641.789342666667	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+3H"	3.021828
"657962"	962.180376	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+3H"	3.021828
"1177176"	321.398309333333	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+3H"	3.021828
"439351"	1940.380023	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+NH4"	18.033823
"797065"	2901.553123	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+NH4"	18.033823
"1693034"	979.206923	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+NH4"	18.033823
"334756"	970.6936495	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H+NH4"	19.041099
"735562"	1451.2801995	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H+NH4"	19.041099
"1490843"	490.1070995	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+NH4"	19.041099
"408147"	1945.335418	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Na"	22.989218
"762865"	2906.508518	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+Na"	22.989218
"1610962"	984.162318	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na"	22.989218
"326465"	973.171347	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H+Na"	23.996494
"719982"	1453.757897	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H+Na"	23.996494
"1473806"	492.584797	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+Na"	23.996494
"1062675"	328.725623333333	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2H+Na"	25.00377
"1265450"	994.206586	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+CH3OH+H"	33.033486
"385119"	1961.309358	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+K"	38.963158
"743927"	2922.482458	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+K"	38.963158
"1549260"	1000.136258	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K"	38.963158
"308622"	981.158317	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H+K"	39.970434
"702144"	1461.744867	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H+K"	39.970434
"1458149"	500.571767	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+K"	39.970434
"241285"	1964.380026	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+ACN+H"	42.033826
"1212170"	1003.206926	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+ACN+H"	42.033826
"1196054"	502.107101	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+ACN+2H"	43.041102
"200594"	1967.31736	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2Na-H"	44.97116
"642339"	2928.49046	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2Na-H"	44.97116
"1136006"	1006.14426	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2Na-H"	44.97116
"178203"	984.162318	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2Na"	45.978436
"626511"	1464.748868	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2Na"	45.978436
"1127832"	503.575768	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2Na"	45.978436
"1411355"	336.052937333333	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+2Na"	46.985712
"1436911"	1008.185846	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+HCOOH"	47.012746
"232073"	989.19534	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+3H2O+2H"	56.04448
"1516855"	1022.23789	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+IsoProp+H"	61.06479
"417634"	992.149288	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Na+K"	61.952376
"781909"	1472.735838	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+Na+K"	61.952376
"1677875"	511.562738	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na+K"	61.952376
"264394"	1986.361968	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+ACN+Na"	64.015768
"1238565"	1025.188868	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+ACN+Na"	64.015768
"1723808"	1025.212393	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+NH4+HCOOH"	64.039293
"1187338"	343.380251333333	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+3Na"	68.967654
"1655045"	1030.167788	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na+HCOOH"	68.994688
"162999"	1999.26524	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2K-H"	76.91904
"604748"	2960.43834	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2K-H"	76.91904
"1090352"	1038.09214	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2K-H"	76.91904
"146439"	1000.136258	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2K"	77.926316
"585998"	1480.722808	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2K"	77.926316
"1071605"	519.549708	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2K"	77.926316
"1106636"	1040.106692	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2K+H"	78.933592
"1341928"	1040.194307	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+DMSO+H"	79.021207
"1009364"	1044.233476	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2ACN+H"	83.060376
"1528580"	1045.227108	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+IsoProp+Na+H"	84.054008
"995029"	522.620376	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2ACN+2H"	84.067652
"1588804"	1046.141728	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K+HCOOH"	84.968628
"1416286"	1076.173238	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+CF3COOH"	115.000138
"1147667"	543.133651	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+3ACN+2H"	125.094202
"1697344"	1093.199785	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+NH4+CF3COOH"	132.026685
"1637248"	1098.15518	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na+CF3COOH"	136.98208
"1572535"	1114.12912	"C07302"	"3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K+CF3COOH"	152.95602
"810925"	961.1731	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M"	0
"983365"	942.15471	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H2O-H"	-19.01839
"63236"	639.774790666667	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-3H"	-3.021828
"502969"	960.165824	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-3H"	-3.021828
"880340"	319.383757333333	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-3H"	-3.021828
"984"	960.165824	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H"	-2.014552
"442732"	1440.752374	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H"	-2.014552
"817618"	479.579274	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H"	-2.014552
"79428"	1921.338924	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-H"	-1.007276
"518992"	2882.512024	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-H"	-1.007276
"896062"	960.165824	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H"	-1.007276
"50443"	1938.365471	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H+NH4"	16.019271
"500576"	2899.538571	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H+NH4"	16.019271
"877288"	977.192371	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H+NH4"	16.019271
"44463"	1943.320866	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H+Na"	20.974666
"485847"	2904.493966	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H+Na"	20.974666
"861830"	982.147766	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H+Na"	20.974666
"1628447"	982.147766	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na-2H"	20.974666
"106435"	978.154163	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-H+Cl"	33.962126
"544900"	1458.740713	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-H+Cl"	33.962126
"937685"	497.567613	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+Cl"	33.962126
"275875"	1957.315602	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Cl"	34.969402
"670479"	2918.488702	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+Cl"	34.969402
"1280697"	996.142502	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl"	34.969402
"24347"	1959.294806	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M-2H+K"	36.948606
"465000"	2920.467906	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M-2H+K"	36.948606
"843897"	998.121706	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-2H+K"	36.948606
"1565196"	998.121706	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K-2H"	36.948606
"949798"	1006.171294	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+HCOOH"	44.998194
"370201"	1967.344401	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+HCOOH-H"	44.998201
"351896"	1981.360051	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Hac-H"	59.013851
"1500729"	1020.186951	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Hac-H"	59.013851
"969001"	1028.153251	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+NaCOOH"	66.980151
"121556"	996.142502	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2Cl"	69.938804
"561117"	1476.729052	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2Cl"	69.938804
"1035394"	515.555952	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2Cl"	69.938804
"1256801"	1040.091985	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Br"	78.918885
"1318513"	1042.147972	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl+HCOOH"	80.974872
"1334919"	1064.129929	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl+NaCOOH"	102.956829
"925977"	1074.158686	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M-H+CF3COOH"	112.985586
"1303421"	1110.135364	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Cl+CF3COOH"	148.962264
"1382311"	926.160424	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H-2H2O"	-35.012676
"1395065"	944.1704	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H-H2O"	-17.0027
"298237"	1923.353476	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H"	1.007276
"691310"	2884.526576	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H"	1.007276
"1366436"	962.180376	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H"	1.007276
"140788"	962.180376	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2H"	2.014552
"576335"	1442.766926	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2H"	2.014552
"1050604"	481.593826	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2H"	2.014552
"216685"	641.789342666667	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+3H"	3.021828
"656242"	962.180376	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+3H"	3.021828
"1177285"	321.398309333333	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+3H"	3.021828
"432534"	1940.380023	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+NH4"	18.033823
"797903"	2901.553123	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+NH4"	18.033823
"1685489"	979.206923	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+NH4"	18.033823
"334866"	970.6936495	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H+NH4"	19.041099
"736036"	1451.2801995	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H+NH4"	19.041099
"1489860"	490.1070995	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+NH4"	19.041099
"407445"	1945.335418	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Na"	22.989218
"761882"	2906.508518	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+Na"	22.989218
"1611072"	984.162318	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na"	22.989218
"325482"	973.171347	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H+Na"	23.996494
"718999"	1453.757897	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H+Na"	23.996494
"1473916"	492.584797	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+Na"	23.996494
"1060599"	328.725623333333	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2H+Na"	25.00377
"1266653"	994.206586	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+CH3OH+H"	33.033486
"383041"	1961.309358	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+K"	38.963158
"744037"	2922.482458	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+K"	38.963158
"1549370"	1000.136258	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K"	38.963158
"308732"	981.158317	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+H+K"	39.970434
"701156"	1461.744867	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+H+K"	39.970434
"1453884"	500.571767	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+K"	39.970434
"239204"	1964.380026	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+ACN+H"	42.033826
"1210818"	1003.206926	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+ACN+H"	42.033826
"1196892"	502.107101	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+ACN+2H"	43.041102
"191950"	1967.31736	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2Na-H"	44.97116
"638073"	2928.49046	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2Na-H"	44.97116
"1144137"	1006.14426	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2Na-H"	44.97116
"185603"	984.162318	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2Na"	45.978436
"626620"	1464.748868	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2Na"	45.978436
"1129035"	503.575768	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2Na"	45.978436
"1410372"	336.052937333333	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+2Na"	46.985712
"1438114"	1008.185846	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+HCOOH"	47.012746
"228903"	989.19534	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+3H2O+2H"	56.04448
"1514778"	1022.23789	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+IsoProp+H"	61.06479
"414464"	992.149288	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+Na+K"	61.952376
"783478"	1472.735838	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+Na+K"	61.952376
"1678349"	511.562738	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na+K"	61.952376
"263411"	1986.361968	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+ACN+Na"	64.015768
"1237216"	1025.188868	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+ACN+Na"	64.015768
"1722095"	1025.212393	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+NH4+HCOOH"	64.039293
"1189270"	343.380251333333	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+3Na"	68.967654
"1659526"	1030.167788	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na+HCOOH"	68.994688
"163108"	1999.26524	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2K-H"	76.91904
"600481"	2960.43834	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2K-H"	76.91904
"1088274"	1038.09214	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2K-H"	76.91904
"146549"	1000.136258	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"2M+2K"	77.926316
"582584"	1480.722808	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"3M+2K"	77.926316
"1070255"	519.549708	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2K"	77.926316
"1106746"	1040.106692	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2K+H"	78.933592
"1340945"	1040.194307	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+DMSO+H"	79.021207
"1007408"	1044.233476	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2ACN+H"	83.060376
"1528690"	1045.227108	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+IsoProp+Na+H"	84.054008
"994044"	522.620376	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+2ACN+2H"	84.067652
"1588550"	1046.141728	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K+HCOOH"	84.968628
"1415303"	1076.173238	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+H+CF3COOH"	115.000138
"1148505"	543.133651	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+3ACN+2H"	125.094202
"1698426"	1093.199785	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+NH4+CF3COOH"	132.026685
"1637358"	1098.15518	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+Na+CF3COOH"	136.98208
"1572281"	1114.12912	"C07303"	"4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA"	"C31H46N7O20P3S"	"961.1731"	"M+K+CF3COOH"	152.95602
"811035"	523.2054	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M"	0
"983475"	504.18701	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-H2O-H"	-19.01839
"63575"	347.796324	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M-3H"	-3.021828
"503622"	522.198124	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M-3H"	-3.021828
"880694"	173.394524	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-3H"	-3.021828
"1458"	522.198124	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M-2H"	-2.014552
"442842"	783.800824	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M-2H"	-2.014552
"817144"	260.595424	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-2H"	-2.014552
"80996"	1045.403524	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M-H"	-1.007276
"518981"	1568.608924	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M-H"	-1.007276
"898479"	522.198124	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-H"	-1.007276
"50189"	1062.430071	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M-2H+NH4"	16.019271
"499229"	1585.635471	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M-2H+NH4"	16.019271
"873021"	539.224671	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-2H+NH4"	16.019271
"40924"	1067.385466	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M-2H+Na"	20.974666
"477204"	1590.590866	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M-2H+Na"	20.974666
"862302"	544.180066	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-2H+Na"	20.974666
"1631836"	544.180066	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Na-2H"	20.974666
"105083"	540.186463	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M-H+Cl"	33.962126
"546102"	801.789163	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M-H+Cl"	33.962126
"939253"	278.583763	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-H+Cl"	33.962126
"278538"	1081.380202	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+Cl"	34.969402
"670961"	1604.585602	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+Cl"	34.969402
"1281901"	558.174802	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Cl"	34.969402
"18989"	1083.359406	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M-2H+K"	36.948606
"459642"	1606.564806	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M-2H+K"	36.948606
"845099"	560.154006	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-2H+K"	36.948606
"1565306"	560.154006	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+K-2H"	36.948606
"949908"	568.203594	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-H+HCOOH"	44.998194
"367031"	1091.409001	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+HCOOH-H"	44.998201
"348726"	1105.424651	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+Hac-H"	59.013851
"1500839"	582.219251	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Hac-H"	59.013851
"970568"	590.185551	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-H+NaCOOH"	66.980151
"121666"	558.174802	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+2Cl"	69.938804
"561227"	819.777502	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+2Cl"	69.938804
"1034777"	296.572102	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2Cl"	69.938804
"1255449"	602.124285	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Br"	78.918885
"1318866"	604.180272	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Cl+HCOOH"	80.974872
"1335029"	626.162229	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Cl+NaCOOH"	102.956829
"926208"	636.190986	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M-H+CF3COOH"	112.985586
"1303856"	672.167664	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Cl+CF3COOH"	148.962264
"1382300"	488.192724	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H-2H2O"	-35.012676
"1395904"	506.2027	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H-H2O"	-17.0027
"298268"	1047.418076	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+H"	1.007276
"690567"	1570.623476	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+H"	1.007276
"1366511"	524.212676	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H"	1.007276
"140171"	524.212676	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+2H"	2.014552
"580740"	785.815376	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+2H"	2.014552
"1051444"	262.609976	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2H"	2.014552
"217526"	349.810876	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+3H"	3.021828
"659593"	524.212676	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+3H"	3.021828
"1177519"	175.409076	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+3H"	3.021828
"433737"	1064.444623	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+NH4"	18.033823
"796920"	1587.650023	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+NH4"	18.033823
"1686692"	541.239223	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+NH4"	18.033823
"334976"	532.7259495	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+H+NH4"	19.041099
"731771"	794.3286495	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+H+NH4"	19.041099
"1488877"	271.1232495	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H+NH4"	19.041099
"405368"	1069.400018	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+Na"	22.989218
"763085"	1592.605418	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+Na"	22.989218
"1613369"	546.194618	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Na"	22.989218
"327779"	535.203647	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+H+Na"	23.996494
"719110"	796.806347	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+H+Na"	23.996494
"1474026"	273.600947	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H+Na"	23.996494
"1060708"	182.73639	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2H+Na"	25.00377
"1266763"	556.238886	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+CH3OH+H"	33.033486
"383151"	1085.373958	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+K"	38.963158
"747427"	1608.579358	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+K"	38.963158
"1552760"	562.168558	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+K"	38.963158
"311029"	543.190617	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+H+K"	39.970434
"701266"	804.793317	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+H+K"	39.970434
"1451807"	281.587917	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H+K"	39.970434
"237128"	1088.444626	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+ACN+H"	42.033826
"1210361"	565.239226	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+ACN+H"	42.033826
"1197002"	283.123251	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+ACN+2H"	43.041102
"192060"	1091.38196	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+2Na-H"	44.97116
"638183"	1614.58736	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+2Na-H"	44.97116
"1144247"	568.17656	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2Na-H"	44.97116
"182796"	546.194618	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+2Na"	45.978436
"622357"	807.797318	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+2Na"	45.978436
"1129510"	284.591918	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2Na"	45.978436
"1410482"	190.063704	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H+2Na"	46.985712
"1438224"	570.218146	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H+HCOOH"	47.012746
"229013"	551.22764	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+3H2O+2H"	56.04448
"1517075"	584.27019	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+IsoProp+H"	61.06479
"422228"	554.181588	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+Na+K"	61.952376
"785045"	815.784288	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+Na+K"	61.952376
"1678095"	292.578888	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Na+K"	61.952376
"264614"	1110.426568	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+ACN+Na"	64.015768
"1238784"	587.221168	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+ACN+Na"	64.015768
"1725850"	587.244693	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+NH4+HCOOH"	64.039293
"1191933"	197.391018	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+3Na"	68.967654
"1662918"	592.200088	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Na+HCOOH"	68.994688
"162125"	1123.32984	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+2K-H"	76.91904
"607152"	1646.53524	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+2K-H"	76.91904
"1090571"	600.12444	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2K-H"	76.91904
"145202"	562.168558	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"2M+2K"	77.926316
"583666"	823.771258	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"3M+2K"	77.926316
"1070001"	300.565858	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2K"	77.926316
"1104669"	602.138992	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2K+H"	78.933592
"1339962"	602.226607	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+DMSO+H"	79.021207
"1009584"	606.265776	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2ACN+H"	83.060376
"1527707"	607.259408	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+IsoProp+Na+H"	84.054008
"994155"	303.636526	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+2ACN+2H"	84.067652
"1588294"	608.174028	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+K+HCOOH"	84.968628
"1417599"	638.205538	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+H+CF3COOH"	115.000138
"1147886"	324.149801	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+3ACN+2H"	125.094202
"1697807"	655.232085	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+NH4+CF3COOH"	132.026685
"1637468"	660.18748	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+Na+CF3COOH"	136.98208
"1573120"	676.16142	"C07304"	"Deacetylisoipecoside"	"C25H33NO11"	"523.2054"	"M+K+CF3COOH"	152.95602
"811143"	1018.4405	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M"	0
"984679"	999.42211	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-H2O-H"	-19.01839
"70732"	677.953057333333	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M-3H"	-3.021828
"509199"	1017.433224	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M-3H"	-3.021828
"880561"	338.472890666667	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-3H"	-3.021828
"590"	1017.433224	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M-2H"	-2.014552
"442952"	1526.653474	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M-2H"	-2.014552
"818445"	508.212974	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-2H"	-2.014552
"81836"	2035.873724	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M-H"	-1.007276
"521398"	3054.314224	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M-H"	-1.007276
"900298"	1017.433224	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-H"	-1.007276
"49202"	2052.900271	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M-2H+NH4"	16.019271
"488766"	3071.340771	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M-2H+NH4"	16.019271
"873131"	1034.459771	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-2H+NH4"	16.019271
"41034"	2057.855666	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M-2H+Na"	20.974666
"477314"	3076.296166	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M-2H+Na"	20.974666
"862044"	1039.415166	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-2H+Na"	20.974666
"1630852"	1039.415166	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Na-2H"	20.974666
"105555"	1035.421563	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M-H+Cl"	33.962126
"544024"	1544.641813	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M-H+Cl"	33.962126
"938630"	526.201313	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-H+Cl"	33.962126
"276093"	2071.850402	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+Cl"	34.969402
"669605"	3090.290902	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+Cl"	34.969402
"1282010"	1053.409902	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Cl"	34.969402
"23472"	2073.829606	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M-2H+K"	36.948606
"464126"	3092.270106	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M-2H+K"	36.948606
"846302"	1055.389106	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-2H+K"	36.948606
"1568696"	1055.389106	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+K-2H"	36.948606
"951112"	1063.438694	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-H+HCOOH"	44.998194
"368234"	2081.879201	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+HCOOH-H"	44.998201
"356492"	2095.894851	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+Hac-H"	59.013851
"1503140"	1077.454351	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Hac-H"	59.013851
"971050"	1085.420651	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-H+NaCOOH"	66.980151
"121414"	1053.409902	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+2Cl"	69.938804
"565240"	1562.630152	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+2Cl"	69.938804
"1034884"	544.189652	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2Cl"	69.938804
"1256868"	1097.359385	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Br"	78.918885
"1319600"	1099.415372	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Cl+HCOOH"	80.974872
"1334778"	1121.397329	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Cl+NaCOOH"	102.956829
"924376"	1131.426086	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M-H+CF3COOH"	112.985586
"1302541"	1167.402764	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Cl+CF3COOH"	148.962264
"1382417"	983.427824	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H-2H2O"	-35.012676
"1398402"	1001.4378	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H-H2O"	-17.0027
"298423"	2037.888276	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+H"	1.007276
"691289"	3056.328776	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+H"	1.007276
"1366991"	1019.447776	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H"	1.007276
"141361"	1019.447776	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+2H"	2.014552
"581016"	1528.668026	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+2H"	2.014552
"1050461"	510.227526	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2H"	2.014552
"219333"	679.967609333333	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+3H"	3.021828
"656461"	1019.447776	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+3H"	3.021828
"1176409"	340.487442666667	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+3H"	3.021828
"432753"	2054.914823	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+NH4"	18.033823
"799221"	3073.355323	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+NH4"	18.033823
"1688995"	1036.474323	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+NH4"	18.033823
"342742"	1027.9610495	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+H+NH4"	19.041099
"735165"	1537.1812995	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+H+NH4"	19.041099
"1486800"	518.7407995	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H+NH4"	19.041099
"407424"	2059.870218	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+Na"	22.989218
"762102"	3078.310718	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+Na"	22.989218
"1614573"	1041.429718	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Na"	22.989218
"325706"	1030.438747	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+H+Na"	23.996494
"715941"	1539.658997	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+H+Na"	23.996494
"1474136"	521.218497	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H+Na"	23.996494
"1060818"	347.814756666667	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2H+Na"	25.00377
"1267966"	1051.473986	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+CH3OH+H"	33.033486
"386542"	2075.844158	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+K"	38.963158
"745351"	3094.284658	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+K"	38.963158
"1548497"	1057.403658	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+K"	38.963158
"308952"	1038.425717	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+H+K"	39.970434
"700281"	1547.645967	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+H+K"	39.970434
"1451913"	529.205467	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H+K"	39.970434
"239425"	2078.914826	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+ACN+H"	42.033826
"1211280"	1060.474326	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+ACN+H"	42.033826
"1198569"	530.740801	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+ACN+2H"	43.041102
"191439"	2081.85216	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+2Na-H"	44.97116
"637203"	3100.29266	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+2Na-H"	44.97116
"1141803"	1063.41166	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2Na-H"	44.97116
"178532"	1041.429718	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+2Na"	45.978436
"623561"	1550.649968	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+2Na"	45.978436
"1127068"	532.209468	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2Na"	45.978436
"1407312"	355.142070666667	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H+2Na"	46.985712
"1440522"	1065.453246	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H+HCOOH"	47.012746
"232404"	1046.46274	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+3H2O+2H"	56.04448
"1522652"	1079.50529	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+IsoProp+H"	61.06479
"415778"	1049.416688	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+Na+K"	61.952376
"784065"	1558.636938	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+Na+K"	61.952376
"1681085"	540.196438	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Na+K"	61.952376
"266183"	2100.896768	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+ACN+Na"	64.015768
"1240598"	1082.456268	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+ACN+Na"	64.015768
"1727781"	1082.479793	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+NH4+HCOOH"	64.039293
"1193622"	362.469384666667	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+3Na"	68.967654
"1661935"	1087.435188	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Na+HCOOH"	68.994688
"165515"	2113.80004	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+2K-H"	76.91904
"599609"	3132.24054	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+2K-H"	76.91904
"1086673"	1095.35954	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2K-H"	76.91904
"144583"	1057.403658	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"2M+2K"	77.926316
"584869"	1566.623908	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"3M+2K"	77.926316
"1071570"	548.183408	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2K"	77.926316
"1103686"	1097.374092	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2K+H"	78.933592
"1340072"	1097.461707	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+DMSO+H"	79.021207
"1008601"	1101.500876	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2ACN+H"	83.060376
"1526725"	1102.494508	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+IsoProp+Na+H"	84.054008
"994265"	551.254076	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+2ACN+2H"	84.067652
"1592047"	1103.409128	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+K+HCOOH"	84.968628
"1417706"	1133.440638	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+H+CF3COOH"	115.000138
"1147269"	571.767351	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+3ACN+2H"	125.094202
"1701928"	1150.467185	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+NH4+CF3COOH"	132.026685
"1640860"	1155.42258	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+Na+CF3COOH"	136.98208
"1574323"	1171.39652	"C07306"	"Octreotide;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2-7)-disulfide"	"C49H66N10O10S2"	"1018.4405"	"M+K+CF3COOH"	152.95602
"811253"	523.2054	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M"	0
"979320"	504.18701	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-H2O-H"	-19.01839
"65375"	347.796324	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M-3H"	-3.021828
"508216"	522.198124	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M-3H"	-3.021828
"880078"	173.394524	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-3H"	-3.021828
"80"	522.198124	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M-2H"	-2.014552
"440184"	783.800824	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M-2H"	-2.014552
"817584"	260.595424	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-2H"	-2.014552
"82310"	1045.403524	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M-H"	-1.007276
"520413"	1568.608924	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M-H"	-1.007276
"899315"	522.198124	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-H"	-1.007276
"48219"	1062.430071	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M-2H+NH4"	16.019271
"488997"	1585.635471	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M-2H+NH4"	16.019271
"873241"	539.224671	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-2H+NH4"	16.019271
"42238"	1067.385466	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M-2H+Na"	20.974666
"478518"	1590.590866	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M-2H+Na"	20.974666
"862154"	544.180066	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-2H+Na"	20.974666
"1631326"	544.180066	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Na-2H"	20.974666
"104573"	540.186463	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M-H+Cl"	33.962126
"544135"	801.789163	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M-H+Cl"	33.962126
"938740"	278.583763	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-H+Cl"	33.962126
"275110"	1081.380202	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+Cl"	34.969402
"670809"	1604.585602	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+Cl"	34.969402
"1284307"	558.174802	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Cl"	34.969402
"24676"	1083.359406	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M-2H+K"	36.948606
"464236"	1606.564806	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M-2H+K"	36.948606
"846048"	560.154006	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-2H+K"	36.948606
"1566620"	560.154006	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+K-2H"	36.948606
"951222"	568.203594	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-H+HCOOH"	44.998194
"369437"	1091.409001	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+HCOOH-H"	44.998201
"356602"	1105.424651	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+Hac-H"	59.013851
"1503250"	582.219251	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Hac-H"	59.013851
"971160"	590.185551	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-H+NaCOOH"	66.980151
"122619"	558.174802	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+2Cl"	69.938804
"561453"	819.777502	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+2Cl"	69.938804
"1031345"	296.572102	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2Cl"	69.938804
"1254206"	602.124285	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Br"	78.918885
"1314466"	604.180272	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Cl+HCOOH"	80.974872
"1334641"	626.162229	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Cl+NaCOOH"	102.956829
"926188"	636.190986	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M-H+CF3COOH"	112.985586
"1303259"	672.167664	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Cl+CF3COOH"	148.962264
"1378260"	488.192724	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H-2H2O"	-35.012676
"1396850"	506.2027	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H-H2O"	-17.0027
"298243"	1047.418076	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+H"	1.007276
"689930"	1570.623476	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+H"	1.007276
"1366281"	524.212676	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H"	1.007276
"140022"	524.212676	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+2H"	2.014552
"580673"	785.815376	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+2H"	2.014552
"1050203"	262.609976	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2H"	2.014552
"218104"	349.810876	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+3H"	3.021828
"656570"	524.212676	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+3H"	3.021828
"1175060"	175.409076	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+3H"	3.021828
"433956"	1064.444623	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+NH4"	18.033823
"800423"	1587.650023	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+NH4"	18.033823
"1689105"	541.239223	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+NH4"	18.033823
"342852"	532.7259495	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+H+NH4"	19.041099
"734911"	794.3286495	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+H+NH4"	19.041099
"1485817"	271.1232495	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H+NH4"	19.041099
"404498"	1069.400018	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+Na"	22.989218
"762211"	1592.605418	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+Na"	22.989218
"1615777"	546.194618	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Na"	22.989218
"323629"	535.203647	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+H+Na"	23.996494
"716051"	796.806347	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+H+Na"	23.996494
"1470964"	273.600947	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H+Na"	23.996494
"1056557"	182.73639	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2H+Na"	25.00377
"1264796"	556.238886	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+CH3OH+H"	33.033486
"383372"	1085.373958	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+K"	38.963158
"745461"	1608.579358	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+K"	38.963158
"1549700"	562.168558	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+K"	38.963158
"309061"	543.190617	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+H+K"	39.970434
"701484"	804.793317	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+H+K"	39.970434
"1450930"	281.587917	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H+K"	39.970434
"236497"	1088.444626	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+ACN+H"	42.033826
"1209967"	565.239226	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+ACN+H"	42.033826
"1198679"	283.123251	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+ACN+2H"	43.041102
"189967"	1091.38196	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+2Na-H"	44.97116
"635852"	1614.58736	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+2Na-H"	44.97116
"1139726"	568.17656	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2Na-H"	44.97116
"179006"	546.194618	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+2Na"	45.978436
"620390"	807.797318	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+2Na"	45.978436
"1127177"	284.591918	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2Na"	45.978436
"1407422"	190.063704	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H+2Na"	46.985712
"1440632"	570.218146	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H+HCOOH"	47.012746
"231421"	551.22764	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+3H2O+2H"	56.04448
"1519482"	584.27019	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+IsoProp+H"	61.06479
"414795"	554.181588	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+Na+K"	61.952376
"784538"	815.784288	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+Na+K"	61.952376
"1680626"	292.578888	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Na+K"	61.952376
"264107"	1110.426568	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+ACN+Na"	64.015768
"1241154"	587.221168	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+ACN+Na"	64.015768
"1727769"	587.244693	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+NH4+HCOOH"	64.039293
"1193612"	197.391018	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+3Na"	68.967654
"1660951"	592.200088	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Na+HCOOH"	68.994688
"168906"	1123.32984	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+2K-H"	76.91904
"599719"	1646.53524	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+2K-H"	76.91904
"1087512"	600.12444	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2K-H"	76.91904
"144693"	562.168558	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"2M+2K"	77.926316
"583885"	823.771258	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"3M+2K"	77.926316
"1070586"	300.565858	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2K"	77.926316
"1102702"	602.138992	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2K+H"	78.933592
"1340182"	602.226607	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+DMSO+H"	79.021207
"1007250"	606.265776	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2ACN+H"	83.060376
"1527561"	607.259408	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+IsoProp+Na+H"	84.054008
"995467"	303.636526	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+2ACN+2H"	84.067652
"1590335"	608.174028	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+K+HCOOH"	84.968628
"1417816"	638.205538	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+H+CF3COOH"	115.000138
"1147743"	324.149801	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+3ACN+2H"	125.094202
"1702038"	655.232085	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+NH4+CF3COOH"	132.026685
"1640970"	660.18748	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+Na+CF3COOH"	136.98208
"1572610"	676.16142	"C07307"	"Deacetylipecoside"	"C25H33NO11"	"523.2054"	"M+K+CF3COOH"	152.95602
"811363"	137.9662	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M"	0
"980523"	118.94781	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-H2O-H"	-19.01839
"67672"	90.9701906666667	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M-3H"	-3.021828
"511606"	136.958924	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M-3H"	-3.021828
"880062"	44.9814573333333	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-3H"	-3.021828
"1786"	136.958924	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M-2H"	-2.014552
"440986"	205.942024	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M-2H"	-2.014552
"817489"	67.975824	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-2H"	-2.014552
"80966"	274.925124	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M-H"	-1.007276
"519311"	412.891324	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M-H"	-1.007276
"899425"	136.958924	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-H"	-1.007276
"51613"	291.951671	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M-2H+NH4"	16.019271
"489707"	429.917871	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M-2H+NH4"	16.019271
"867883"	153.985471	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-2H+NH4"	16.019271
"39066"	296.907066	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M-2H+Na"	20.974666
"474253"	434.873266	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M-2H+Na"	20.974666
"863722"	158.940866	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-2H+Na"	20.974666
"1633869"	158.940866	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Na-2H"	20.974666
"109056"	154.947263	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M-H+Cl"	33.962126
"547524"	223.930363	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M-H+Cl"	33.962126
"938850"	85.964163	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-H+Cl"	33.962126
"277407"	310.901802	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+Cl"	34.969402
"670920"	448.868002	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+Cl"	34.969402
"1280043"	172.935602	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Cl"	34.969402
"23693"	312.881006	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M-2H+K"	36.948606
"464346"	450.847206	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M-2H+K"	36.948606
"844335"	174.914806	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-2H+K"	36.948606
"1565636"	174.914806	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+K-2H"	36.948606
"951332"	182.964394	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-H+HCOOH"	44.998194
"370641"	320.930601	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+HCOOH-H"	44.998201
"358899"	334.946251	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+Hac-H"	59.013851
"1506642"	196.980051	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Hac-H"	59.013851
"971634"	204.946351	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-H+NaCOOH"	66.980151
"122729"	172.935602	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+2Cl"	69.938804
"559375"	241.918702	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+2Cl"	69.938804
"1030362"	103.952502	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2Cl"	69.938804
"1248847"	216.885085	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Br"	78.918885
"1316035"	218.941072	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Cl+HCOOH"	80.974872
"1333533"	240.923029	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Cl+NaCOOH"	102.956829
"926420"	250.951786	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M-H+CF3COOH"	112.985586
"1303250"	286.928464	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Cl+CF3COOH"	148.962264
"1381286"	102.953524	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H-2H2O"	-35.012676
"1396960"	120.9635	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H-H2O"	-17.0027
"298112"	276.939676	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+H"	1.007276
"689796"	414.905876	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+H"	1.007276
"1366027"	138.973476	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H"	1.007276
"139767"	138.973476	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+2H"	2.014552
"579327"	207.956576	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+2H"	2.014552
"1046305"	69.990376	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2H"	2.014552
"214206"	92.9847426666667	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+3H"	3.021828
"654129"	138.973476	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+3H"	3.021828
"1171889"	46.9960093333333	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+3H"	3.021828
"427506"	293.966223	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+NH4"	18.033823
"797254"	431.932423	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+NH4"	18.033823
"1689216"	156.000023	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+NH4"	18.033823
"337496"	147.4867495	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+H+NH4"	19.041099
"732104"	216.4698495	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+H+NH4"	19.041099
"1485927"	78.5036495	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H+NH4"	19.041099
"405337"	298.921618	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+Na"	22.989218
"766695"	436.887818	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+Na"	22.989218
"1613700"	160.955418	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Na"	22.989218
"323738"	149.964447	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+H+Na"	23.996494
"716160"	218.947547	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+H+Na"	23.996494
"1474354"	80.981347	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H+Na"	23.996494
"1065415"	54.3233233333333	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2H+Na"	25.00377
"1263813"	170.999686	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+CH3OH+H"	33.033486
"383482"	314.895558	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+K"	38.963158
"745571"	452.861758	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+K"	38.963158
"1546530"	176.929358	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+K"	38.963158
"309171"	157.951417	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+H+K"	39.970434
"701594"	226.934517	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+H+K"	39.970434
"1451042"	88.968317	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H+K"	39.970434
"236728"	317.966226	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+ACN+H"	42.033826
"1210526"	180.000026	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+ACN+H"	42.033826
"1195873"	90.503651	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+ACN+2H"	43.041102
"189712"	320.90356	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+2Na-H"	44.97116
"635962"	458.86976	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+2Na-H"	44.97116
"1139836"	182.93736	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2Na-H"	44.97116
"180940"	160.955418	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+2Na"	45.978436
"625968"	229.938518	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+2Na"	45.978436
"1128382"	91.972318	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2Na"	45.978436
"1406440"	61.6506373333333	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H+2Na"	46.985712
"1442929"	184.978946	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H+HCOOH"	47.012746
"235056"	165.98844	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+3H2O+2H"	56.04448
"1519592"	199.03099	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+IsoProp+H"	61.06479
"414905"	168.942388	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+Na+K"	61.952376
"781369"	237.925488	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+Na+K"	61.952376
"1677700"	99.959288	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Na+K"	61.952376
"266162"	339.948168	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+ACN+Na"	64.015768
"1240209"	201.981968	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+ACN+Na"	64.015768
"1726786"	202.005493	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+NH4+HCOOH"	64.039293
"1190075"	68.9779513333333	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+3Na"	68.967654
"1659969"	206.960888	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Na+HCOOH"	68.994688
"167923"	352.85144	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+2K-H"	76.91904
"600923"	490.81764	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+2K-H"	76.91904
"1087987"	214.88524	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2K-H"	76.91904
"143102"	176.929358	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"2M+2K"	77.926316
"586182"	245.912458	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"3M+2K"	77.926316
"1073977"	107.946258	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2K"	77.926316
"1102812"	216.899792	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2K+H"	78.933592
"1342479"	216.987407	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+DMSO+H"	79.021207
"1006634"	221.026576	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2ACN+H"	83.060376
"1525853"	222.020208	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+IsoProp+Na+H"	84.054008
"993393"	111.016926	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+2ACN+2H"	84.067652
"1588623"	222.934828	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+K+HCOOH"	84.968628
"1416468"	252.966338	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+H+CF3COOH"	115.000138
"1148217"	131.530201	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+3ACN+2H"	125.094202
"1702148"	269.992885	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+NH4+CF3COOH"	132.026685
"1639987"	274.94828	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+Na+CF3COOH"	136.98208
"1572356"	290.92222	"C07308"	"Cacodylate;Dimethylarsinate"	"C2H7AsO2"	"137.9662"	"M+K+CF3COOH"	152.95602
"811473"	272.1195	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M"	0
"981727"	253.10111	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-H2O-H"	-19.01839
"66688"	180.405724	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M-3H"	-3.021828
"510623"	271.112224	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M-3H"	-3.021828
"882958"	89.699224	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-3H"	-3.021828
"5905"	271.112224	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M-2H"	-2.014552
"443283"	407.171974	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M-2H"	-2.014552
"817310"	135.052474	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-2H"	-2.014552
"82169"	543.231724	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M-H"	-1.007276
"519543"	815.351224	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M-H"	-1.007276
"896128"	271.112224	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-H"	-1.007276
"48442"	560.258271	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M-2H+NH4"	16.019271
"487992"	832.377771	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M-2H+NH4"	16.019271
"870180"	288.138771	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-2H+NH4"	16.019271
"38083"	565.213666	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M-2H+Na"	20.974666
"474363"	837.333166	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M-2H+Na"	20.974666
"863468"	293.094166	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-2H+Na"	20.974666
"1633002"	293.094166	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Na-2H"	20.974666
"107344"	289.100563	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M-H+Cl"	33.962126
"546906"	425.160313	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M-H+Cl"	33.962126
"935680"	153.040813	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-H+Cl"	33.962126
"277882"	579.208402	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+Cl"	34.969402
"669573"	851.327902	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+Cl"	34.969402
"1281246"	307.088902	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Cl"	34.969402
"23803"	581.187606	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M-2H+K"	36.948606
"462269"	853.307106	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M-2H+K"	36.948606
"842258"	309.068106	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-2H+K"	36.948606
"1565746"	309.068106	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+K-2H"	36.948606
"951442"	317.117694	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-H+HCOOH"	44.998194
"368564"	589.237201	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+HCOOH-H"	44.998201
"353543"	603.252851	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+Hac-H"	59.013851
"1504200"	331.133351	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Hac-H"	59.013851
"968827"	339.099651	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-H+NaCOOH"	66.980151
"122475"	307.088902	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+2Cl"	69.938804
"555112"	443.148652	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+2Cl"	69.938804
"1029376"	171.029152	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2Cl"	69.938804
"1248955"	351.038385	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Br"	78.918885
"1316873"	353.094372	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Cl+HCOOH"	80.974872
"1332184"	375.076329	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Cl+NaCOOH"	102.956829
"925071"	385.105086	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M-H+CF3COOH"	112.985586
"1301045"	421.081764	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Cl+CF3COOH"	148.962264
"1381760"	237.106824	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H-2H2O"	-35.012676
"1397923"	255.1168	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H-H2O"	-17.0027
"298100"	545.246276	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+H"	1.007276
"689906"	817.365776	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+H"	1.007276
"1366385"	273.126776	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H"	1.007276
"139877"	273.126776	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+2H"	2.014552
"579437"	409.186526	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+2H"	2.014552
"1048237"	137.067026	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2H"	2.014552
"214681"	182.420276	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+3H"	3.021828
"654603"	273.126776	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+3H"	3.021828
"1171998"	91.713776	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+3H"	3.021828
"430896"	562.272823	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+NH4"	18.033823
"796270"	834.392323	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+NH4"	18.033823
"1689326"	290.153323	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+NH4"	18.033823
"337606"	281.6400495	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+H+NH4"	19.041099
"731121"	417.6997995	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+H+NH4"	19.041099
"1487131"	145.5802995	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H+NH4"	19.041099
"405083"	567.228218	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+Na"	22.989218
"766805"	839.347718	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+Na"	22.989218
"1613810"	295.108718	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Na"	22.989218
"323848"	284.117747	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+H+Na"	23.996494
"716270"	420.177497	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+H+Na"	23.996494
"1474343"	148.057997	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H+Na"	23.996494
"1056777"	99.04109	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2H+Na"	25.00377
"1263923"	305.152986	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+CH3OH+H"	33.033486
"386872"	583.202158	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+K"	38.963158
"747868"	855.321658	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+K"	38.963158
"1546640"	311.082658	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+K"	38.963158
"310376"	292.104717	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+H+K"	39.970434
"700611"	428.164467	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+H+K"	39.970434
"1451151"	156.044967	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H+K"	39.970434
"240848"	586.272826	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+ACN+H"	42.033826
"1210637"	314.153326	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+ACN+H"	42.033826
"1194205"	157.580301	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+ACN+2H"	43.041102
"188597"	589.21016	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+2Na-H"	44.97116
"637531"	861.32966	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+2Na-H"	44.97116
"1138853"	317.09066	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2Na-H"	44.97116
"181050"	295.108718	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+2Na"	45.978436
"625714"	431.168468	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+2Na"	45.978436
"1131010"	159.048968	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2Na"	45.978436
"1408737"	106.368404	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H+2Na"	46.985712
"1440852"	319.132246	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H+HCOOH"	47.012746
"234925"	300.14174	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+3H2O+2H"	56.04448
"1520796"	333.18429	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+IsoProp+H"	61.06479
"419389"	303.095688	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+Na+K"	61.952376
"781479"	439.155438	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+Na+K"	61.952376
"1679996"	167.035938	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Na+K"	61.952376
"265421"	608.254768	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+ACN+Na"	64.015768
"1239592"	336.135268	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+ACN+Na"	64.015768
"1727384"	336.158793	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+NH4+HCOOH"	64.039293
"1193467"	113.695718	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+3Na"	68.967654
"1660078"	341.114188	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Na+HCOOH"	68.994688
"165844"	621.15804	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+2K-H"	76.91904
"603220"	893.27754	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+2K-H"	76.91904
"1090285"	349.03854	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2K-H"	76.91904
"143092"	311.082658	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"2M+2K"	77.926316
"584107"	447.142408	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"3M+2K"	77.926316
"1071901"	175.022908	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2K"	77.926316
"1102192"	351.053092	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2K+H"	78.933592
"1339308"	351.140707	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+DMSO+H"	79.021207
"1007837"	355.179876	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2ACN+H"	83.060376
"1528150"	356.173508	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+IsoProp+Na+H"	84.054008
"993503"	178.093576	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+2ACN+2H"	84.067652
"1588734"	357.088128	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+K+HCOOH"	84.968628
"1415120"	387.119638	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+H+CF3COOH"	115.000138
"1148327"	198.606851	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+3ACN+2H"	125.094202
"1701165"	404.146185	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+NH4+CF3COOH"	132.026685
"1640097"	409.10158	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+Na+CF3COOH"	136.98208
"1572466"	425.07552	"C07309"	"Sotalol"	"C12H20N2O3S"	"272.1195"	"M+K+CF3COOH"	152.95602
"814865"	416.2021	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M"	0
"981837"	397.18371	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-H2O-H"	-19.01839
"71174"	276.460790666667	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M-3H"	-3.021828
"507453"	415.194824	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M-3H"	-3.021828
"881977"	137.726757333333	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-3H"	-3.021828
"8209"	415.194824	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M-2H"	-2.014552
"442302"	623.295874	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M-2H"	-2.014552
"819008"	207.093774	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-2H"	-2.014552
"79840"	831.396924	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M-H"	-1.007276
"519168"	1247.599024	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M-H"	-1.007276
"899645"	415.194824	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-H"	-1.007276
"48057"	848.423471	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M-2H+NH4"	16.019271
"487258"	1264.625571	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M-2H+NH4"	16.019271
"871383"	432.221371	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-2H+NH4"	16.019271
"44758"	853.378866	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M-2H+Na"	20.974666
"485414"	1269.580966	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M-2H+Na"	20.974666
"862850"	437.176766	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-2H+Na"	20.974666
"1632020"	437.176766	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Na-2H"	20.974666
"107454"	433.183163	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M-H+Cl"	33.962126
"545192"	641.284213	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M-H+Cl"	33.962126
"939072"	225.082113	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-H+Cl"	33.962126
"279088"	867.373602	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+Cl"	34.969402
"670049"	1283.575702	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+Cl"	34.969402
"1283545"	451.171502	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Cl"	34.969402
"26832"	869.352806	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M-2H+K"	36.948606
"466028"	1285.554906	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M-2H+K"	36.948606
"843829"	453.150706	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-2H+K"	36.948606
"1567681"	453.150706	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+K-2H"	36.948606
"950459"	461.200294	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-H+HCOOH"	44.998194
"369768"	877.402401	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+HCOOH-H"	44.998201
"356934"	891.418051	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+Hac-H"	59.013851
"1500301"	475.215951	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Hac-H"	59.013851
"971126"	483.182251	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-H+NaCOOH"	66.980151
"122219"	451.171502	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+2Cl"	69.938804
"561057"	659.272552	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+2Cl"	69.938804
"1032405"	243.070452	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2Cl"	69.938804
"1251989"	495.120985	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Br"	78.918885
"1316625"	497.176972	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Cl+HCOOH"	80.974872
"1333754"	519.158929	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Cl+NaCOOH"	102.956829
"924088"	529.187686	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M-H+CF3COOH"	112.985586
"1302252"	565.164364	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Cl+CF3COOH"	148.962264
"1381143"	381.189424	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H-2H2O"	-35.012676
"1397547"	399.1994	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H-H2O"	-17.0027
"296865"	833.411476	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+H"	1.007276
"686368"	1249.613576	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+H"	1.007276
"1366249"	417.209376	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H"	1.007276
"139259"	417.209376	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+2H"	2.014552
"579183"	625.310426	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+2H"	2.014552
"1045431"	209.108326	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2H"	2.014552
"214426"	278.475342666667	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+3H"	3.021828
"655808"	417.209376	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+3H"	3.021828
"1171017"	139.741309333333	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+3H"	3.021828
"433196"	850.438023	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+NH4"	18.033823
"795286"	1266.640123	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+NH4"	18.033823
"1691624"	434.235923	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+NH4"	18.033823
"340998"	425.7226495	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+H+NH4"	19.041099
"731235"	633.8236995	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+H+NH4"	19.041099
"1488336"	217.6215995	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H+NH4"	19.041099
"403371"	855.393418	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+Na"	22.989218
"765458"	1271.595518	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+Na"	22.989218
"1612830"	439.191318	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Na"	22.989218
"323960"	428.200347	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+H+Na"	23.996494
"719297"	636.301397	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+H+Na"	23.996494
"1474577"	220.099297	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H+Na"	23.996494
"1061262"	147.068623333333	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2H+Na"	25.00377
"1267314"	449.235586	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+CH3OH+H"	33.033486
"389169"	871.367358	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+K"	38.963158
"750166"	1287.569458	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+K"	38.963158
"1547844"	455.165258	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+K"	38.963158
"312673"	436.187317	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+H+K"	39.970434
"701815"	644.288367	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+H+K"	39.970434
"1453452"	228.086267	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H+K"	39.970434
"238772"	874.438026	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+ACN+H"	42.033826
"1209911"	458.235926	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+ACN+H"	42.033826
"1194303"	229.621601	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+ACN+2H"	43.041102
"188617"	877.37536	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+2Na-H"	44.97116
"637641"	1293.57746	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+2Na-H"	44.97116
"1146507"	461.17326	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2Na-H"	44.97116
"187488"	439.191318	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+2Na"	45.978436
"627898"	647.292368	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+2Na"	45.978436
"1130189"	231.090268	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2Na"	45.978436
"1413832"	154.395937333333	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H+2Na"	46.985712
"1444735"	463.214846	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H+HCOOH"	47.012746
"228471"	444.22434	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+3H2O+2H"	56.04448
"1521757"	477.26689	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+IsoProp+H"	61.06479
"418408"	447.178288	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+Na+K"	61.952376
"779767"	655.279338	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+Na+K"	61.952376
"1680356"	239.077238	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Na+K"	61.952376
"263349"	896.419968	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+ACN+Na"	64.015768
"1238246"	480.217868	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+ACN+Na"	64.015768
"1724581"	480.241393	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+NH4+HCOOH"	64.039293
"1188109"	161.723251333333	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+3Na"	68.967654
"1660188"	485.196788	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Na+HCOOH"	68.994688
"169237"	909.32324	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+2K-H"	76.91904
"604424"	1325.52534	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+2K-H"	76.91904
"1090030"	493.12114	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2K-H"	76.91904
"145755"	455.165258	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"2M+2K"	77.926316
"583488"	663.266308	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"3M+2K"	77.926316
"1070185"	247.064208	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2K"	77.926316
"1102301"	495.135692	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2K+H"	78.933592
"1337232"	495.223307	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+DMSO+H"	79.021207
"1006974"	499.262476	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2ACN+H"	83.060376
"1525097"	500.256108	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+IsoProp+Na+H"	84.054008
"991425"	250.134876	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+2ACN+2H"	84.067652
"1587752"	501.170728	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+K+HCOOH"	84.968628
"1417060"	531.202238	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+H+CF3COOH"	115.000138
"1148564"	270.648151	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+3ACN+2H"	125.094202
"1702368"	548.228785	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+NH4+CF3COOH"	132.026685
"1646768"	553.18418	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+Na+CF3COOH"	136.98208
"1581324"	569.15812	"C07310"	"Spironolactone"	"C24H32O4S"	"416.2021"	"M+K+CF3COOH"	152.95602
"811694"	328.2515	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M"	0
"984133"	309.23311	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-H2O-H"	-19.01839
"71283"	217.827057333333	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M-3H"	-3.021828
"515217"	327.244224	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M-3H"	-3.021828
"883179"	108.409890666667	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-3H"	-3.021828
"6132"	327.244224	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M-2H"	-2.014552
"444598"	491.369974	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M-2H"	-2.014552
"819241"	163.118474	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-2H"	-2.014552
"84580"	655.495724	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M-H"	-1.007276
"519520"	983.747224	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M-H"	-1.007276
"899756"	327.244224	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-H"	-1.007276
"48905"	672.522271	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M-2H+NH4"	16.019271
"487490"	1000.773771	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M-2H+NH4"	16.019271
"870400"	344.270771	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-2H+NH4"	16.019271
"45600"	677.477666	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M-2H+Na"	20.974666
"486256"	1005.729166	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M-2H+Na"	20.974666
"862963"	349.226166	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-2H+Na"	20.974666
"1631401"	349.226166	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Na-2H"	20.974666
"107200"	345.232563	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M-H+Cl"	33.962126
"543479"	509.358313	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M-H+Cl"	33.962126
"936994"	181.106813	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-H+Cl"	33.962126
"280657"	691.472402	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+Cl"	34.969402
"669068"	1019.723902	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+Cl"	34.969402
"1281467"	363.220902	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Cl"	34.969402
"22932"	693.451606	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M-2H+K"	36.948606
"463586"	1021.703106	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M-2H+K"	36.948606
"840295"	365.200106	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-2H+K"	36.948606
"1564875"	365.200106	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+K-2H"	36.948606
"952759"	373.249694	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-H+HCOOH"	44.998194
"369881"	701.501201	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+HCOOH-H"	44.998201
"353035"	715.516851	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+Hac-H"	59.013851
"1502963"	387.265351	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Hac-H"	59.013851
"969780"	395.231651	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-H+NaCOOH"	66.980151
"123793"	363.220902	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+2Cl"	69.938804
"564447"	527.346652	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+2Cl"	69.938804
"1034343"	199.095152	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2Cl"	69.938804
"1253923"	407.170385	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Br"	78.918885
"1318919"	409.226372	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Cl+HCOOH"	80.974872
"1334960"	431.208329	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Cl+NaCOOH"	102.956829
"926387"	441.237086	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M-H+CF3COOH"	112.985586
"1303821"	477.213764	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Cl+CF3COOH"	148.962264
"1382511"	293.238824	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H-2H2O"	-35.012676
"1398345"	311.2488	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H-H2O"	-17.0027
"298191"	657.510276	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+H"	1.007276
"687935"	985.761776	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+H"	1.007276
"1363562"	329.258776	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H"	1.007276
"138275"	329.258776	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+2H"	2.014552
"579657"	493.384526	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+2H"	2.014552
"1047365"	165.133026	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2H"	2.014552
"214538"	219.841609333333	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+3H"	3.021828
"655916"	329.258776	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+3H"	3.021828
"1168939"	110.424442666667	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+3H"	3.021828
"431119"	674.536823	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+NH4"	18.033823
"788837"	1002.788323	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+NH4"	18.033823
"1689547"	346.285323	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+NH4"	18.033823
"342201"	337.7720495	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+H+NH4"	19.041099
"734624"	501.8977995	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+H+NH4"	19.041099
"1489539"	173.6462995	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H+NH4"	19.041099
"406031"	679.492218	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+Na"	22.989218
"768727"	1007.743718	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+Na"	22.989218
"1617192"	351.240718	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Na"	22.989218
"328200"	340.249747	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+H+Na"	23.996494
"719770"	504.375497	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+H+Na"	23.996494
"1475660"	176.123997	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H+Na"	23.996494
"1062464"	117.751756666667	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2H+Na"	25.00377
"1268518"	361.284986	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+CH3OH+H"	33.033486
"388186"	695.466158	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+K"	38.963158
"751369"	1023.717658	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+K"	38.963158
"1553421"	367.214658	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+K"	38.963158
"313876"	348.236717	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+H+K"	39.970434
"703018"	512.362467	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+H+K"	39.970434
"1450281"	184.110967	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H+K"	39.970434
"237789"	698.536826	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+ACN+H"	42.033826
"1210002"	370.285326	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+ACN+H"	42.033826
"1194620"	185.646301	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+ACN+2H"	43.041102
"188825"	701.47416	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+2Na-H"	44.97116
"636658"	1029.72566	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+2Na-H"	44.97116
"1145401"	373.22266	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2Na-H"	44.97116
"188332"	351.240718	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+2Na"	45.978436
"627889"	515.366468	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+2Na"	45.978436
"1130909"	187.114968	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2Na"	45.978436
"1412729"	125.079070666667	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H+2Na"	46.985712
"1443994"	375.264246	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H+HCOOH"	47.012746
"230768"	356.27374	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+3H2O+2H"	56.04448
"1519558"	389.31629	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+IsoProp+H"	61.06479
"422526"	359.227688	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+Na+K"	61.952376
"784619"	523.353438	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+Na+K"	61.952376
"1680954"	195.101938	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Na+K"	61.952376
"264917"	720.518768	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+ACN+Na"	64.015768
"1239813"	392.267268	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+ACN+Na"	64.015768
"1726877"	392.290793	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+NH4+HCOOH"	64.039293
"1192593"	132.406384666667	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+3Na"	68.967654
"1662485"	397.246188	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Na+HCOOH"	68.994688
"168984"	733.42204	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+2K-H"	76.91904
"606722"	1061.67354	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+2K-H"	76.91904
"1093420"	405.17054	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2K-H"	76.91904
"146959"	367.214658	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"2M+2K"	77.926316
"581778"	531.340408	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"3M+2K"	77.926316
"1071029"	203.088908	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2K"	77.926316
"1101202"	407.185092	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2K+H"	78.933592
"1335840"	407.272707	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+DMSO+H"	79.021207
"1005870"	411.311876	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2ACN+H"	83.060376
"1526545"	412.305508	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+IsoProp+Na+H"	84.054008
"990804"	206.159576	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+2ACN+2H"	84.067652
"1589681"	413.220128	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+K+HCOOH"	84.968628
"1414615"	443.251638	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+H+CF3COOH"	115.000138
"1148553"	226.672851	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+3ACN+2H"	125.094202
"1700291"	460.278185	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+NH4+CF3COOH"	132.026685
"1638130"	465.23358	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+Na+CF3COOH"	136.98208
"1573779"	481.20752	"C07311"	"Stanozolol;Androstanazole"	"C21H32N2O"	"328.2515"	"M+K+CF3COOH"	152.95602
"811802"	224.0797	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M"	0
"978775"	205.06131	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-H2O-H"	-19.01839
"71393"	148.379190666667	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M-3H"	-3.021828
"514234"	223.072424	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M-3H"	-3.021828
"883288"	73.6859573333333	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-3H"	-3.021828
"7335"	223.072424	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M-2H"	-2.014552
"442519"	335.112274	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M-2H"	-2.014552
"820320"	111.032574	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-2H"	-2.014552
"79948"	447.152124	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M-H"	-1.007276
"519630"	671.231824	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M-H"	-1.007276
"897069"	223.072424	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-H"	-1.007276
"50226"	464.178671	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M-2H+NH4"	16.019271
"489056"	688.258371	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M-2H+NH4"	16.019271
"865646"	240.098971	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-2H+NH4"	16.019271
"35133"	469.134066	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M-2H+Na"	20.974666
"485633"	693.213766	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M-2H+Na"	20.974666
"863561"	245.054366	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-2H+Na"	20.974666
"1632240"	245.054366	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Na-2H"	20.974666
"106582"	241.060763	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M-H+Cl"	33.962126
"540308"	353.100613	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M-H+Cl"	33.962126
"938197"	129.020913	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-H+Cl"	33.962126
"281859"	483.128802	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+Cl"	34.969402
"671365"	707.208502	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+Cl"	34.969402
"1279391"	259.049102	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Cl"	34.969402
"24135"	485.108006	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M-2H+K"	36.948606
"463696"	709.187706	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M-2H+K"	36.948606
"841499"	261.028306	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-2H+K"	36.948606
"1566078"	261.028306	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+K-2H"	36.948606
"952869"	269.077894	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-H+HCOOH"	44.998194
"371084"	493.157601	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+HCOOH-H"	44.998201
"354967"	507.173251	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+Hac-H"	59.013851
"1503437"	283.093551	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Hac-H"	59.013851
"968067"	291.059851	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-H+NaCOOH"	66.980151
"119163"	259.049102	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+2Cl"	69.938804
"563096"	371.088952	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+2Cl"	69.938804
"1031898"	147.009252	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2Cl"	69.938804
"1252570"	302.998585	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Br"	78.918885
"1313925"	305.054572	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Cl+HCOOH"	80.974872
"1329237"	327.036529	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Cl+NaCOOH"	102.956829
"921389"	337.065286	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M-H+CF3COOH"	112.985586
"1303524"	373.041964	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Cl+CF3COOH"	148.962264
"1381361"	189.067024	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H-2H2O"	-35.012676
"1395942"	207.077	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H-H2O"	-17.0027
"297815"	449.166676	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+H"	1.007276
"686953"	673.246376	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+H"	1.007276
"1360383"	225.086976	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H"	1.007276
"133637"	225.086976	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+2H"	2.014552
"577943"	337.126826	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+2H"	2.014552
"1046746"	113.047126	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2H"	2.014552
"214647"	150.393742666667	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+3H"	3.021828
"655297"	225.086976	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+3H"	3.021828
"1169049"	75.7005093333333	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+3H"	3.021828
"429042"	466.193223	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+NH4"	18.033823
"791134"	690.272923	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+NH4"	18.033823
"1690750"	242.113523	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+NH4"	18.033823
"342311"	233.6002495	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+H+NH4"	19.041099
"734734"	345.6400995	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+H+NH4"	19.041099
"1490378"	121.5603995	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H+NH4"	19.041099
"406141"	471.148618	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+Na"	22.989218
"768229"	695.228318	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+Na"	22.989218
"1617058"	247.068918	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Na"	22.989218
"329728"	236.077947	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+H+Na"	23.996494
"719881"	348.117797	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+H+Na"	23.996494
"1474797"	124.038097	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H+Na"	23.996494
"1061479"	83.0278233333333	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2H+Na"	25.00377
"1267534"	257.113186	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+CH3OH+H"	33.033486
"385015"	487.122558	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+K"	38.963158
"747104"	711.202258	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+K"	38.963158
"1553531"	263.042858	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+K"	38.963158
"312893"	244.064917	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+H+K"	39.970434
"702034"	356.104767	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+H+K"	39.970434
"1448568"	132.025067	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H+K"	39.970434
"236234"	490.193226	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+ACN+H"	42.033826
"1211331"	266.113526	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+ACN+H"	42.033826
"1194848"	133.560401	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+ACN+2H"	43.041102
"189094"	493.13056	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+2Na-H"	44.97116
"637861"	717.21026	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+2Na-H"	44.97116
"1146117"	269.05086	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2Na-H"	44.97116
"187215"	247.068918	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+2Na"	45.978436
"627881"	359.108768	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+2Na"	45.978436
"1130618"	135.029068	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2Na"	45.978436
"1413445"	90.3551373333333	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H+2Na"	46.985712
"1444708"	271.092446	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H+HCOOH"	47.012746
"229785"	252.10194	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+3H2O+2H"	56.04448
"1521855"	285.14449	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+H"	61.06479
"421907"	255.055888	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+Na+K"	61.952376
"783757"	367.095738	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+Na+K"	61.952376
"1679968"	143.016038	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Na+K"	61.952376
"265635"	512.175168	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+ACN+Na"	64.015768
"1239195"	288.095468	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+ACN+Na"	64.015768
"1726985"	288.118993	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+NH4+HCOOH"	64.039293
"1192339"	97.6824513333333	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+3Na"	68.967654
"1663324"	293.074388	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Na+HCOOH"	68.994688
"169824"	525.07844	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+2K-H"	76.91904
"609018"	749.15814	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+2K-H"	76.91904
"1090248"	300.99874	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2K-H"	76.91904
"149255"	263.042858	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"2M+2K"	77.926316
"582008"	375.082708	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"3M+2K"	77.926316
"1069800"	151.003008	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2K"	77.926316
"1102159"	303.013292	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2K+H"	78.933592
"1337570"	303.100907	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+DMSO+H"	79.021207
"1006583"	307.140076	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2ACN+H"	83.060376
"1527384"	308.133708	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+IsoProp+Na+H"	84.054008
"992009"	154.073676	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+2ACN+2H"	84.067652
"1590520"	309.048328	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+K+HCOOH"	84.968628
"1416181"	339.079838	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+H+CF3COOH"	115.000138
"1147239"	174.586951	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+3ACN+2H"	125.094202
"1699308"	356.106385	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+NH4+CF3COOH"	132.026685
"1638240"	361.06178	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+Na+CF3COOH"	136.98208
"1572795"	377.03572	"C07312"	"Stavudine;d4T;23-Didehydro-3-deoxythimidine;Sanilvudine"	"C10H12N2O4"	"224.0797"	"M+K+CF3COOH"	152.95602
"811912"	265.091	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M"	0
"984353"	246.07261	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-H2O-H"	-19.01839
"76973"	175.720057333333	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M-3H"	-3.021828
"515441"	264.083724	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M-3H"	-3.021828
"884493"	87.3563906666667	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-3H"	-3.021828
"8540"	264.083724	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M-2H"	-2.014552
"444818"	396.629224	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M-2H"	-2.014552
"825899"	131.538224	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-2H"	-2.014552
"81519"	529.174724	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M-H"	-1.007276
"521200"	794.265724	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M-H"	-1.007276
"897788"	264.083724	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-H"	-1.007276
"54352"	546.201271	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M-2H+NH4"	16.019271
"492818"	811.292271	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M-2H+NH4"	16.019271
"870621"	281.110271	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-2H+NH4"	16.019271
"39617"	551.156666	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M-2H+Na"	20.974666
"486107"	816.247666	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M-2H+Na"	20.974666
"859900"	286.065666	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-2H+Na"	20.974666
"1633080"	286.065666	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Na-2H"	20.974666
"109575"	282.072063	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M-H+Cl"	33.962126
"546252"	414.617563	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M-H+Cl"	33.962126
"938307"	149.526563	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-H+Cl"	33.962126
"282215"	565.151402	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+Cl"	34.969402
"672934"	830.242402	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+Cl"	34.969402
"1284242"	300.060402	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Cl"	34.969402
"24245"	567.130606	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M-2H+K"	36.948606
"465993"	832.221606	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M-2H+K"	36.948606
"841607"	302.039606	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-2H+K"	36.948606
"1562910"	302.039606	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+K-2H"	36.948606
"956627"	310.089194	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-H+HCOOH"	44.998194
"372654"	575.180201	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+HCOOH-H"	44.998201
"353255"	589.195851	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+Hac-H"	59.013851
"1501725"	324.104851	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Hac-H"	59.013851
"970003"	332.071151	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-H+NaCOOH"	66.980151
"123649"	300.060402	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+2Cl"	69.938804
"559924"	432.605902	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+2Cl"	69.938804
"1033469"	167.514902	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2Cl"	69.938804
"1247216"	344.009885	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Br"	78.918885
"1312945"	346.065872	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Cl+HCOOH"	80.974872
"1329349"	368.047829	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Cl+NaCOOH"	102.956829
"919313"	378.076586	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M-H+CF3COOH"	112.985586
"1303311"	414.053264	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Cl+CF3COOH"	148.962264
"1380744"	230.078324	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H-2H2O"	-35.012676
"1392772"	248.0883	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H-H2O"	-17.0027
"296834"	531.189276	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+H"	1.007276
"690346"	796.280276	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+H"	1.007276
"1364872"	266.098276	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H"	1.007276
"134843"	266.098276	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+2H"	2.014552
"579150"	398.643776	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+2H"	2.014552
"1047951"	133.552776	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2H"	2.014552
"212571"	177.734609333333	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+3H"	3.021828
"654319"	266.098276	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+3H"	3.021828
"1176817"	89.3709426666667	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+3H"	3.021828
"437901"	548.215823	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+NH4"	18.033823
"786180"	813.306823	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+NH4"	18.033823
"1690860"	283.124823	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+NH4"	18.033823
"344613"	274.6115495	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+H+NH4"	19.041099
"737760"	407.1570495	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+H+NH4"	19.041099
"1489759"	142.0660495	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H+NH4"	19.041099
"405524"	553.171218	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+Na"	22.989218
"767613"	818.262218	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+Na"	22.989218
"1615348"	288.080218	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Na"	22.989218
"325385"	277.089247	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+H+Na"	23.996494
"718900"	409.634747	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+H+Na"	23.996494
"1470535"	144.543747	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H+Na"	23.996494
"1059403"	96.6982566666667	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2H+Na"	25.00377
"1264364"	298.124486	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+CH3OH+H"	33.033486
"382939"	569.145158	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+K"	38.963158
"747214"	834.236158	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+K"	38.963158
"1551452"	304.054158	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+K"	38.963158
"309724"	285.076217	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+H+K"	39.970434
"692786"	417.621717	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+H+K"	39.970434
"1448315"	152.530717	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H+K"	39.970434
"236185"	572.215826	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+ACN+H"	42.033826
"1215093"	307.124826	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+ACN+H"	42.033826
"1197883"	154.066051	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+ACN+2H"	43.041102
"190387"	575.15316	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+2Na-H"	44.97116
"636878"	840.24416	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+2Na-H"	44.97116
"1146479"	310.06216	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2Na-H"	44.97116
"187460"	288.080218	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+2Na"	45.978436
"627746"	420.625718	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+2Na"	45.978436
"1130648"	155.534718	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2Na"	45.978436
"1414116"	104.025570666667	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H+2Na"	46.985712
"1444698"	312.103746	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H+HCOOH"	47.012746
"235248"	293.11324	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+3H2O+2H"	56.04448
"1520145"	326.15579	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+IsoProp+H"	61.06479
"423963"	296.067188	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+Na+K"	61.952376
"785535"	428.612688	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+Na+K"	61.952376
"1680567"	163.521688	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Na+K"	61.952376
"264773"	594.197768	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+ACN+Na"	64.015768
"1238939"	329.106768	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+ACN+Na"	64.015768
"1725275"	329.130293	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+NH4+HCOOH"	64.039293
"1191359"	111.352884666667	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+3Na"	68.967654
"1663436"	334.085688	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Na+HCOOH"	68.994688
"169204"	607.10104	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+2K-H"	76.91904
"608034"	872.19204	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+2K-H"	76.91904
"1093640"	342.01004	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2K-H"	76.91904
"149365"	304.054158	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"2M+2K"	77.926316
"582729"	436.599658	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"3M+2K"	77.926316
"1069302"	171.508658	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2K"	77.926316
"1101173"	344.024592	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2K+H"	78.933592
"1337923"	344.112207	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+DMSO+H"	79.021207
"1008274"	348.151376	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2ACN+H"	83.060376
"1526036"	349.145008	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+IsoProp+Na+H"	84.054008
"991631"	174.579326	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+2ACN+2H"	84.067652
"1588930"	350.059628	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+K+HCOOH"	84.968628
"1415804"	380.091138	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+H+CF3COOH"	115.000138
"1147673"	195.092601	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+3ACN+2H"	125.094202
"1699418"	397.117685	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+NH4+CF3COOH"	132.026685
"1638349"	402.07308	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+Na+CF3COOH"	136.98208
"1572905"	418.04702	"C07313"	"Streptozocin;Zanosar"	"C8H15N3O7"	"265.091"	"M+K+CF3COOH"	152.95602
"812025"	253.0521	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M"	0
"985558"	234.03371	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-H2O-H"	-19.01839
"74894"	167.694124	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M-3H"	-3.021828
"515548"	252.044824	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M-3H"	-3.021828
"887883"	83.343424	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-3H"	-3.021828
"11926"	252.044824	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M-2H"	-2.014552
"444928"	378.570874	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M-2H"	-2.014552
"822731"	125.518774	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-2H"	-2.014552
"81626"	505.096924	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M-H"	-1.007276
"519731"	758.149024	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M-H"	-1.007276
"908103"	252.044824	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-H"	-1.007276
"50446"	522.123471	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M-2H+NH4"	16.019271
"489644"	775.175571	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M-2H+NH4"	16.019271
"878391"	269.071371	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-2H+NH4"	16.019271
"44468"	527.078866	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M-2H+Na"	20.974666
"485853"	780.130966	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M-2H+Na"	20.974666
"864028"	274.026766	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-2H+Na"	20.974666
"1633842"	274.026766	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Na-2H"	20.974666
"107166"	270.033163	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M-H+Cl"	33.962126
"545998"	396.559213	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M-H+Cl"	33.962126
"939877"	143.507113	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-H+Cl"	33.962126
"280988"	541.073602	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+Cl"	34.969402
"674745"	794.125702	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+Cl"	34.969402
"1282895"	288.021502	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Cl"	34.969402
"24357"	543.052806	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M-2H+K"	36.948606
"465011"	796.104906	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M-2H+K"	36.948606
"840627"	290.000706	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-2H+K"	36.948606
"1564115"	290.000706	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+K-2H"	36.948606
"955642"	298.050294	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-H+HCOOH"	44.998194
"372399"	551.102401	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+HCOOH-H"	44.998201
"353005"	565.118051	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+Hac-H"	59.013851
"1504028"	312.065951	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Hac-H"	59.013851
"967194"	320.032251	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-H+NaCOOH"	66.980151
"117193"	288.021502	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+2Cl"	69.938804
"557852"	414.547552	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+2Cl"	69.938804
"1032118"	161.495452	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2Cl"	69.938804
"1247325"	331.970985	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Br"	78.918885
"1308680"	334.026972	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Cl+HCOOH"	80.974872
"1327268"	356.008929	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Cl+NaCOOH"	102.956829
"925252"	366.037686	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M-H+CF3COOH"	112.985586
"1293943"	402.014364	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Cl+CF3COOH"	148.962264
"1369919"	218.039424	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H-2H2O"	-35.012676
"1386322"	236.0494	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H-H2O"	-17.0027
"293664"	507.111476	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+H"	1.007276
"688270"	760.163576	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+H"	1.007276
"1366074"	254.059376	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H"	1.007276
"136418"	254.059376	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+2H"	2.014552
"574884"	380.585426	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+2H"	2.014552
"1044780"	127.533326	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2H"	2.014552
"210858"	169.708676	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+3H"	3.021828
"653335"	254.059376	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+3H"	3.021828
"1174740"	85.357976	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+3H"	3.021828
"427808"	524.138023	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+NH4"	18.033823
"786615"	777.190123	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+NH4"	18.033823
"1686594"	271.085923	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+NH4"	18.033823
"335966"	262.5726495	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+H+NH4"	19.041099
"736047"	389.0986995	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+H+NH4"	19.041099
"1488777"	136.0465995	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H+NH4"	19.041099
"404175"	529.093418	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+Na"	22.989218
"767356"	782.145518	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+Na"	22.989218
"1613270"	276.041318	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Na"	22.989218
"325495"	265.050347	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+H+Na"	23.996494
"720103"	391.576397	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+H+Na"	23.996494
"1468459"	138.524297	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H+Na"	23.996494
"1060607"	92.68529	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2H+Na"	25.00377
"1265566"	286.085586	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+CH3OH+H"	33.033486
"384143"	545.067358	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+K"	38.963158
"745139"	798.119458	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+K"	38.963158
"1549376"	292.015258	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+K"	38.963158
"302179"	273.037317	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+H+K"	39.970434
"695697"	399.563367	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+H+K"	39.970434
"1448425"	146.511267	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H+K"	39.970434
"237146"	548.138026	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+ACN+H"	42.033826
"1210456"	295.085926	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+ACN+H"	42.033826
"1195436"	148.046601	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+ACN+2H"	43.041102
"202170"	551.07536	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+2Na-H"	44.97116
"644006"	804.12746	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+2Na-H"	44.97116
"1146672"	298.02326	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2Na-H"	44.97116
"188263"	276.041318	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+2Na"	45.978436
"628270"	402.567368	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+2Na"	45.978436
"1131119"	149.515268	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2Na"	45.978436
"1414082"	100.012604	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H+2Na"	46.985712
"1445576"	300.064846	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H+HCOOH"	47.012746
"231098"	281.07434	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+3H2O+2H"	56.04448
"1520254"	314.11689	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+IsoProp+H"	61.06479
"423829"	284.028288	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+Na+K"	61.952376
"785425"	410.554338	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+Na+K"	61.952376
"1681213"	157.502238	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Na+K"	61.952376
"266221"	570.119968	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+ACN+Na"	64.015768
"1239413"	317.067868	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+ACN+Na"	64.015768
"1726844"	317.091393	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+NH4+HCOOH"	64.039293
"1192198"	107.339918	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+3Na"	68.967654
"1661721"	322.046788	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Na+HCOOH"	68.994688
"168584"	583.02324	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+2K-H"	76.91904
"603770"	836.07534	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+2K-H"	76.91904
"1095939"	329.97114	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2K-H"	76.91904
"142914"	292.015258	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"2M+2K"	77.926316
"587942"	418.541308	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"3M+2K"	77.926316
"1072454"	165.489208	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2K"	77.926316
"1104571"	331.985692	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2K+H"	78.933592
"1342049"	332.073307	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+DMSO+H"	79.021207
"1011672"	336.112476	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2ACN+H"	83.060376
"1529798"	337.106108	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+IsoProp+Na+H"	84.054008
"995150"	168.559876	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+2ACN+2H"	84.067652
"1588073"	338.020728	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+K+HCOOH"	84.968628
"1416408"	368.052238	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+H+CF3COOH"	115.000138
"1147298"	189.073151	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+3ACN+2H"	125.094202
"1698067"	385.078785	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+NH4+CF3COOH"	132.026685
"1636271"	390.03418	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+Na+CF3COOH"	136.98208
"1576299"	406.00812	"C07315"	"Sulfamethoxazole"	"C10H11N3O3S"	"253.0521"	"M+K+CF3COOH"	152.95602
"808853"	398.0685	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M"	0
"983482"	379.05011	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-H2O-H"	-19.01839
"72817"	264.371724	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M-3H"	-3.021828
"512377"	397.061224	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M-3H"	-3.021828
"891273"	131.682224	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-3H"	-3.021828
"13131"	397.061224	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M-2H"	-2.014552
"448318"	596.095474	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M-2H"	-2.014552
"822841"	198.026974	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-2H"	-2.014552
"85018"	795.129724	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M-H"	-1.007276
"525673"	1193.198224	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M-H"	-1.007276
"905661"	397.061224	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-H"	-1.007276
"49220"	812.156271	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M-2H+NH4"	16.019271
"487275"	1210.224771	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M-2H+NH4"	16.019271
"878867"	414.087771	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-2H+NH4"	16.019271
"46037"	817.111666	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M-2H+Na"	20.974666
"484871"	1215.180166	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M-2H+Na"	20.974666
"862674"	419.043166	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-2H+Na"	20.974666
"1632936"	419.043166	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Na-2H"	20.974666
"107640"	415.049563	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M-H+Cl"	33.962126
"546836"	614.083813	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M-H+Cl"	33.962126
"940351"	216.015313	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-H+Cl"	33.962126
"275995"	831.106402	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+Cl"	34.969402
"673154"	1229.174902	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+Cl"	34.969402
"1283005"	433.037902	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Cl"	34.969402
"24466"	833.085606	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M-2H+K"	36.948606
"462934"	1231.154106	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M-2H+K"	36.948606
"838550"	435.017106	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-2H+K"	36.948606
"1559852"	435.017106	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+K-2H"	36.948606
"952837"	443.066694	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-H+HCOOH"	44.998194
"371053"	841.135201	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+HCOOH-H"	44.998201
"353115"	855.150851	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+Hac-H"	59.013851
"1504137"	457.082351	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Hac-H"	59.013851
"967304"	465.048651	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-H+NaCOOH"	66.980151
"116211"	433.037902	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+2Cl"	69.938804
"554682"	632.072152	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+2Cl"	69.938804
"1030041"	234.003652	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2Cl"	69.938804
"1245248"	476.987385	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Br"	78.918885
"1308790"	479.043372	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Cl+HCOOH"	80.974872
"1330658"	501.025329	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Cl+NaCOOH"	102.956829
"921718"	511.054086	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M-H+CF3COOH"	112.985586
"1290774"	547.030764	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Cl+CF3COOH"	148.962264
"1370394"	363.055824	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H-2H2O"	-35.012676
"1386433"	381.0658	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H-H2O"	-17.0027
"295961"	797.144276	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+H"	1.007276
"688380"	1195.212776	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+H"	1.007276
"1366184"	399.075776	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H"	1.007276
"135434"	399.075776	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+2H"	2.014552
"572810"	598.110026	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+2H"	2.014552
"1039421"	200.041526	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2H"	2.014552
"206228"	266.386276	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+3H"	3.021828
"653444"	399.075776	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+3H"	3.021828
"1165009"	133.696776	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+3H"	3.021828
"425730"	814.170823	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+NH4"	18.033823
"785709"	1212.239323	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+NH4"	18.033823
"1686704"	416.102323	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+NH4"	18.033823
"333890"	407.5890495	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+H+NH4"	19.041099
"737615"	606.6232995	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+H+NH4"	19.041099
"1492042"	208.5547995	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H+NH4"	19.041099
"403193"	819.126218	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+Na"	22.989218
"767102"	1217.194718	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+Na"	22.989218
"1615204"	421.057718	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Na"	22.989218
"327793"	410.066747	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+H+Na"	23.996494
"719849"	609.100997	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+H+Na"	23.996494
"1470756"	211.032497	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H+Na"	23.996494
"1061811"	141.02409	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2H+Na"	25.00377
"1267863"	431.101986	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+CH3OH+H"	33.033486
"383160"	835.100158	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+K"	38.963158
"745249"	1233.168658	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+K"	38.963158
"1547303"	437.031658	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+K"	38.963158
"302290"	418.053717	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+H+K"	39.970434
"696170"	617.087967	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+H+K"	39.970434
"1446712"	219.019467	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H+K"	39.970434
"237135"	838.170826	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+ACN+H"	42.033826
"1210202"	440.102326	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+ACN+H"	42.033826
"1195546"	220.554801	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+ACN+2H"	43.041102
"196446"	841.10816	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+2Na-H"	44.97116
"643790"	1239.17666	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+2Na-H"	44.97116
"1146444"	443.03966	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2Na-H"	44.97116
"188441"	421.057718	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+2Na"	45.978436
"628391"	620.091968	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+2Na"	45.978436
"1131316"	222.023468	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2Na"	45.978436
"1414165"	148.351404	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H+2Na"	46.985712
"1445038"	445.081246	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H+HCOOH"	47.012746
"232303"	426.09074	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+3H2O+2H"	56.04448
"1522551"	459.13329	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+IsoProp+H"	61.06479
"420052"	429.044688	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+Na+K"	61.952376
"783235"	628.078938	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+Na+K"	61.952376
"1676285"	230.010438	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Na+K"	61.952376
"264991"	860.152768	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+ACN+Na"	64.015768
"1239523"	462.084268	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+ACN+Na"	64.015768
"1725861"	462.107793	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+NH4+HCOOH"	64.039293
"1190844"	155.678718	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+3Na"	68.967654
"1663292"	467.063188	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Na+HCOOH"	68.994688
"165414"	873.05604	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+2K-H"	76.91904
"603880"	1271.12454	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+2K-H"	76.91904
"1093862"	474.98754	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2K-H"	76.91904
"142536"	437.031658	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"2M+2K"	77.926316
"589145"	636.065908	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"3M+2K"	77.926316
"1072564"	237.997408	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2K"	77.926316
"1104681"	477.002092	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2K+H"	78.933592
"1339972"	477.089707	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+DMSO+H"	79.021207
"1011782"	481.128876	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2ACN+H"	83.060376
"1531001"	482.122508	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+IsoProp+Na+H"	84.054008
"996353"	241.068076	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+2ACN+2H"	84.067652
"1588670"	483.037128	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+K+HCOOH"	84.968628
"1417611"	513.068638	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+H+CF3COOH"	115.000138
"1147899"	261.581351	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+3ACN+2H"	125.094202
"1697813"	530.095185	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+NH4+CF3COOH"	132.026685
"1636381"	535.05058	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+Na+CF3COOH"	136.98208
"1576409"	551.02452	"C07316"	"Sulfasalazine;Salicylazosulfapyridine;Salazosulfapyridine"	"C18H14N4O5S"	"398.0685"	"M+K+CF3COOH"	152.95602
"808963"	404.1195	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M"	0
"988938"	385.10111	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-H2O-H"	-19.01839
"75114"	268.405724	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M-3H"	-3.021828
"511394"	403.112224	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M-3H"	-3.021828
"891383"	133.699224	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-3H"	-3.021828
"13973"	403.112224	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M-2H"	-2.014552
"451709"	605.171974	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M-2H"	-2.014552
"821858"	201.052474	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-2H"	-2.014552
"87316"	807.231724	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M-H"	-1.007276
"522503"	1211.351224	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M-H"	-1.007276
"903586"	403.112224	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-H"	-1.007276
"47589"	824.258271	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M-2H+NH4"	16.019271
"489867"	1228.377771	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M-2H+NH4"	16.019271
"879925"	420.138771	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-2H+NH4"	16.019271
"45786"	829.213666	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M-2H+Na"	20.974666
"486085"	1233.333166	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M-2H+Na"	20.974666
"863395"	425.094166	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-2H+Na"	20.974666
"1633416"	425.094166	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Na-2H"	20.974666
"108730"	421.100563	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M-H+Cl"	33.962126
"548649"	623.160313	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M-H+Cl"	33.962126
"941800"	219.040813	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-H+Cl"	33.962126
"279387"	843.208402	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+Cl"	34.969402
"672900"	1247.327902	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+Cl"	34.969402
"1283115"	439.088902	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Cl"	34.969402
"28586"	845.187606	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M-2H+K"	36.948606
"467416"	1249.307106	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M-2H+K"	36.948606
"845219"	441.068106	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-2H+K"	36.948606
"1568345"	441.068106	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+K-2H"	36.948606
"955498"	449.117694	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-H+HCOOH"	44.998194
"374080"	853.237201	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+HCOOH-H"	44.998201
"352131"	867.252851	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+Hac-H"	59.013851
"1506070"	463.133351	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Hac-H"	59.013851
"971424"	471.099651	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-H+NaCOOH"	66.980151
"119601"	439.088902	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+2Cl"	69.938804
"563540"	641.148652	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+2Cl"	69.938804
"1034891"	237.029152	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2Cl"	69.938804
"1254471"	483.038385	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Br"	78.918885
"1311087"	485.094372	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Cl+HCOOH"	80.974872
"1330769"	507.076329	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Cl+NaCOOH"	102.956829
"922922"	517.105086	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M-H+CF3COOH"	112.985586
"1302669"	553.081764	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Cl+CF3COOH"	148.962264
"1373421"	369.106824	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H-2H2O"	-35.012676
"1392010"	387.1168	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H-H2O"	-17.0027
"297772"	809.246276	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+H"	1.007276
"689583"	1213.365776	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+H"	1.007276
"1365929"	405.126776	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H"	1.007276
"140648"	405.126776	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+2H"	2.014552
"576201"	607.186526	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+2H"	2.014552
"1040628"	203.067026	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2H"	2.014552
"210715"	270.420276	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+3H"	3.021828
"656836"	405.126776	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+3H"	3.021828
"1169493"	135.713776	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+3H"	3.021828
"427298"	826.272823	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+NH4"	18.033823
"793764"	1230.392323	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+NH4"	18.033823
"1696178"	422.153323	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+NH4"	18.033823
"344820"	413.6400495	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+H+NH4"	19.041099
"736999"	615.6997995	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+H+NH4"	19.041099
"1491672"	211.5802995	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H+NH4"	19.041099
"406219"	831.228218	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+Na"	22.989218
"766850"	1235.347718	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+Na"	22.989218
"1616779"	427.108718	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Na"	22.989218
"327907"	416.117747	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+H+Na"	23.996494
"721786"	618.177497	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+H+Na"	23.996494
"1474152"	214.057997	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H+Na"	23.996494
"1065209"	143.04109	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2H+Na"	25.00377
"1270161"	437.152986	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+CH3OH+H"	33.033486
"390560"	847.202158	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+K"	38.963158
"749370"	1251.321658	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+K"	38.963158
"1549600"	443.082658	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+K"	38.963158
"304589"	424.104717	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+H+K"	39.970434
"695917"	626.164467	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+H+K"	39.970434
"1448645"	222.044967	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H+K"	39.970434
"238704"	850.272826	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+ACN+H"	42.033826
"1216517"	446.153326	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+ACN+H"	42.033826
"1196390"	223.580301	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+ACN+2H"	43.041102
"197649"	853.21016	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+2Na-H"	44.97116
"641223"	1257.32966	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+2Na-H"	44.97116
"1143270"	449.09066	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2Na-H"	44.97116
"186926"	427.108718	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+2Na"	45.978436
"628430"	629.168468	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+2Na"	45.978436
"1131053"	225.048968	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2Na"	45.978436
"1413520"	150.368404	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H+2Na"	46.985712
"1442722"	451.132246	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H+HCOOH"	47.012746
"233876"	432.14174	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+3H2O+2H"	56.04448
"1520840"	465.18429	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+IsoProp+H"	61.06479
"421987"	435.095688	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+Na+K"	61.952376
"782252"	637.155438	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+Na+K"	61.952376
"1678948"	233.035938	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Na+K"	61.952376
"262918"	872.254768	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+ACN+Na"	64.015768
"1237085"	468.135268	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+ACN+Na"	64.015768
"1723420"	468.158793	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+NH4+HCOOH"	64.039293
"1187679"	157.695718	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+3Na"	68.967654
"1660489"	473.114188	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Na+HCOOH"	68.994688
"165524"	885.15804	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+2K-H"	76.91904
"603990"	1289.27754	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+2K-H"	76.91904
"1091785"	481.03854	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2K-H"	76.91904
"144228"	443.082658	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"2M+2K"	77.926316
"590348"	645.142408	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"3M+2K"	77.926316
"1077414"	241.022908	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2K"	77.926316
"1108071"	483.053092	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2K+H"	78.933592
"1343363"	483.140707	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+DMSO+H"	79.021207
"1008611"	487.179876	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2ACN+H"	83.060376
"1534028"	488.173508	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+IsoProp+Na+H"	84.054008
"994277"	244.093576	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+2ACN+2H"	84.067652
"1590967"	489.088128	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+K+HCOOH"	84.968628
"1417721"	519.119638	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+H+CF3COOH"	115.000138
"1148009"	264.606851	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+3ACN+2H"	125.094202
"1701934"	536.146185	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+NH4+CF3COOH"	132.026685
"1636491"	541.10158	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+Na+CF3COOH"	136.98208
"1576519"	557.07552	"C07317"	"Sulfinpyrazone;Sulfoxyphenylpyrazolidine"	"C23H20N2O3S"	"404.1195"	"M+K+CF3COOH"	152.95602
"812356"	267.0678	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M"	0
"982608"	248.04941	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-H2O-H"	-19.01839
"69757"	177.037924	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M-3H"	-3.021828
"510414"	266.060524	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M-3H"	-3.021828
"883841"	88.015324	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-3H"	-3.021828
"7885"	266.060524	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M-2H"	-2.014552
"445258"	399.594424	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M-2H"	-2.014552
"818319"	132.526624	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-2H"	-2.014552
"81959"	533.128324	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M-H"	-1.007276
"520302"	800.196124	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M-H"	-1.007276
"896030"	266.060524	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-H"	-1.007276
"58075"	550.154871	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M-2H+NH4"	16.019271
"497636"	817.222671	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M-2H+NH4"	16.019271
"879095"	283.087071	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-2H+NH4"	16.019271
"45663"	555.110266	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M-2H+Na"	20.974666
"485464"	822.178066	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M-2H+Na"	20.974666
"863511"	288.042466	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-2H+Na"	20.974666
"1633532"	288.042466	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Na-2H"	20.974666
"108724"	284.048863	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M-H+Cl"	33.962126
"546700"	417.582763	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M-H+Cl"	33.962126
"940948"	150.514963	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-H+Cl"	33.962126
"281202"	569.105002	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+Cl"	34.969402
"669730"	836.172802	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+Cl"	34.969402
"1283226"	302.037202	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Cl"	34.969402
"22502"	571.084206	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M-2H+K"	36.948606
"466435"	838.152006	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M-2H+K"	36.948606
"844239"	304.016406	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-2H+K"	36.948606
"1565538"	304.016406	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+K-2H"	36.948606
"947589"	312.065994	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-H+HCOOH"	44.998194
"368356"	579.133801	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+HCOOH-H"	44.998201
"354428"	593.149451	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+Hac-H"	59.013851
"1505087"	326.081651	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Hac-H"	59.013851
"971170"	334.047951	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-H+NaCOOH"	66.980151
"117525"	302.037202	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+2Cl"	69.938804
"554897"	435.571102	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+2Cl"	69.938804
"1035363"	168.503302	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2Cl"	69.938804
"1253124"	345.986685	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Br"	78.918885
"1317759"	348.042672	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Cl+HCOOH"	80.974872
"1335136"	370.024629	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Cl+NaCOOH"	102.956829
"926196"	380.053386	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M-H+CF3COOH"	112.985586
"1297556"	416.030064	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Cl+CF3COOH"	148.962264
"1373531"	232.055124	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H-2H2O"	-35.012676
"1396494"	250.0651	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H-H2O"	-17.0027
"298131"	535.142876	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+H"	1.007276
"689693"	802.210676	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+H"	1.007276
"1364946"	268.075076	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H"	1.007276
"140882"	268.075076	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+2H"	2.014552
"568656"	401.608976	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+2H"	2.014552
"1040372"	134.541176	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2H"	2.014552
"215199"	179.052476	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+3H"	3.021828
"657675"	268.075076	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+3H"	3.021828
"1170697"	90.029876	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+3H"	3.021828
"426679"	552.169423	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+NH4"	18.033823
"799714"	819.237223	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+NH4"	18.033823
"1696045"	285.101623	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+NH4"	18.033823
"342864"	276.5883495	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+H+NH4"	19.041099
"737838"	410.1222495	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+H+NH4"	19.041099
"1489107"	143.0544495	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H+NH4"	19.041099
"406330"	557.124818	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+Na"	22.989218
"767326"	824.192618	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+Na"	22.989218
"1615794"	290.057018	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Na"	22.989218
"328377"	279.066047	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+H+Na"	23.996494
"720684"	412.599947	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+H+Na"	23.996494
"1475352"	145.532147	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H+Na"	23.996494
"1066050"	97.35719	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2H+Na"	25.00377
"1269180"	300.101286	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+CH3OH+H"	33.033486
"384474"	573.098758	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+K"	38.963158
"748751"	840.166558	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+K"	38.963158
"1547524"	306.030958	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+K"	38.963158
"303606"	287.053017	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+H+K"	39.970434
"693841"	420.586917	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+H+K"	39.970434
"1445954"	153.519117	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H+K"	39.970434
"240638"	576.169426	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+ACN+H"	42.033826
"1216628"	309.101626	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+ACN+H"	42.033826
"1206348"	155.054451	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+ACN+2H"	43.041102
"201773"	579.10676	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+2Na-H"	44.97116
"631485"	846.17456	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+2Na-H"	44.97116
"1142649"	312.03896	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2Na-H"	44.97116
"187528"	290.057018	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+2Na"	45.978436
"628147"	423.590918	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+2Na"	45.978436
"1129984"	156.523118	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2Na"	45.978436
"1413148"	104.684504	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H+2Na"	46.985712
"1442826"	314.080546	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H+HCOOH"	47.012746
"235442"	295.09004	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+3H2O+2H"	56.04448
"1521318"	328.13259	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+IsoProp+H"	61.06479
"422828"	298.043988	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+Na+K"	61.952376
"782364"	431.577888	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+Na+K"	61.952376
"1679790"	164.510088	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Na+K"	61.952376
"264122"	598.151368	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+ACN+Na"	64.015768
"1237195"	331.083568	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+ACN+Na"	64.015768
"1720613"	331.107093	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+NH4+HCOOH"	64.039293
"1189973"	112.011818	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+3Na"	68.967654
"1659868"	336.062488	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Na+HCOOH"	68.994688
"167458"	611.05464	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+2K-H"	76.91904
"606296"	878.12244	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+2K-H"	76.91904
"1090803"	343.98684	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2K-H"	76.91904
"143245"	306.030958	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"2M+2K"	77.926316
"586086"	439.564858	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"3M+2K"	77.926316
"1069865"	172.497058	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2K"	77.926316
"1101740"	346.001392	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2K+H"	78.933592
"1338005"	346.089007	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+DMSO+H"	79.021207
"1008722"	350.128176	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2ACN+H"	83.060376
"1531221"	351.121808	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+IsoProp+Na+H"	84.054008
"991228"	175.567726	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+2ACN+2H"	84.067652
"1588889"	352.036428	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+K+HCOOH"	84.968628
"1414205"	382.067938	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+H+CF3COOH"	115.000138
"1148844"	196.081001	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+3ACN+2H"	125.094202
"1697548"	399.094485	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+NH4+CF3COOH"	132.026685
"1634774"	404.04988	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+Na+CF3COOH"	136.98208
"1576629"	420.02382	"C07318"	"Sulfisoxazole"	"C11H13N3O3S"	"267.0678"	"M+K+CF3COOH"	152.95602
"809183"	295.1354	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M"	0
"980531"	276.11701	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-H2O-H"	-19.01839
"65492"	195.749657333333	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M-3H"	-3.021828
"508337"	294.128124	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M-3H"	-3.021828
"883951"	97.3711906666667	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-3H"	-3.021828
"7995"	294.128124	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M-2H"	-2.014552
"443181"	441.695824	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M-2H"	-2.014552
"817700"	146.560424	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-2H"	-2.014552
"84256"	589.263524	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M-H"	-1.007276
"520537"	884.398924	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M-H"	-1.007276
"896637"	294.128124	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-H"	-1.007276
"62609"	606.290071	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M-2H+NH4"	16.019271
"502702"	901.425471	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M-2H+NH4"	16.019271
"879524"	311.154671	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-2H+NH4"	16.019271
"46789"	611.245466	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M-2H+Na"	20.974666
"486590"	906.380866	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M-2H+Na"	20.974666
"863495"	316.110066	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-2H+Na"	20.974666
"1633721"	316.110066	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Na-2H"	20.974666
"108708"	312.116463	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M-H+Cl"	33.962126
"549242"	459.684163	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M-H+Cl"	33.962126
"942146"	164.548763	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-H+Cl"	33.962126
"281919"	625.240202	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+Cl"	34.969402
"668746"	920.375602	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+Cl"	34.969402
"1281148"	330.104802	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Cl"	34.969402
"21517"	627.219406	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M-2H+K"	36.948606
"462169"	922.354806	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M-2H+K"	36.948606
"835599"	332.084006	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-2H+K"	36.948606
"1559086"	332.084006	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+K-2H"	36.948606
"944416"	340.133594	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-H+HCOOH"	44.998194
"365185"	635.269001	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+HCOOH-H"	44.998201
"349070"	649.284651	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+Hac-H"	59.013851
"1499001"	354.149251	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Hac-H"	59.013851
"965448"	362.115551	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-H+NaCOOH"	66.980151
"116539"	330.104802	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+2Cl"	69.938804
"553914"	477.672502	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+2Cl"	69.938804
"1033286"	182.537102	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2Cl"	69.938804
"1254324"	374.054285	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Br"	78.918885
"1317866"	376.110272	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Cl+HCOOH"	80.974872
"1333177"	398.092229	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Cl+NaCOOH"	102.956829
"919863"	408.120986	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M-H+CF3COOH"	112.985586
"1297666"	444.097664	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Cl+CF3COOH"	148.962264
"1370360"	260.122724	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H-2H2O"	-35.012676
"1390042"	278.1327	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H-H2O"	-17.0027
"294102"	591.278076	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+H"	1.007276
"685429"	886.413476	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+H"	1.007276
"1363963"	296.142676	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H"	1.007276
"140138"	296.142676	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+2H"	2.014552
"572048"	443.710376	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+2H"	2.014552
"1041575"	148.574976	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2H"	2.014552
"209112"	197.764209333333	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+3H"	3.021828
"650494"	296.142676	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+3H"	3.021828
"1164972"	99.3857426666667	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+3H"	3.021828
"426059"	608.304623	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+NH4"	18.033823
"791799"	903.440023	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+NH4"	18.033823
"1696966"	313.169223	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+NH4"	18.033823
"345666"	304.6559495	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+H+NH4"	19.041099
"738473"	452.2236495	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+H+NH4"	19.041099
"1492714"	157.0882495	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H+NH4"	19.041099
"407534"	613.260018	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+Na"	22.989218
"767800"	908.395418	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+Na"	22.989218
"1617725"	318.124618	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Na"	22.989218
"329217"	307.133647	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+H+Na"	23.996494
"720543"	454.701347	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+H+Na"	23.996494
"1473270"	159.565947	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H+Na"	23.996494
"1066518"	106.713056666667	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2H+Na"	25.00377
"1270749"	328.168886	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+CH3OH+H"	33.033486
"390416"	629.233958	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+K"	38.963158
"753802"	924.369358	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+K"	38.963158
"1553827"	334.098558	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+K"	38.963158
"308086"	315.120617	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+H+K"	39.970434
"700512"	462.688317	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+H+K"	39.970434
"1458347"	167.552917	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H+K"	39.970434
"247314"	632.304626	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+ACN+H"	42.033826
"1222941"	337.169226	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+ACN+H"	42.033826
"1206825"	169.088251	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+ACN+2H"	43.041102
"203590"	635.24196	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+2Na-H"	44.97116
"643760"	930.37736	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+2Na-H"	44.97116
"1146777"	340.10656	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2Na-H"	44.97116
"188209"	318.124618	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+2Na"	45.978436
"627810"	465.692318	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+2Na"	45.978436
"1129742"	170.556918	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2Na"	45.978436
"1412649"	114.040370666667	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H+2Na"	46.985712
"1443306"	342.148146	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H+HCOOH"	47.012746
"232271"	323.15764	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+3H2O+2H"	56.04448
"1522524"	356.20019	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+IsoProp+H"	61.06479
"421841"	326.111588	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+Na+K"	61.952376
"782837"	473.679288	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+Na+K"	61.952376
"1679900"	178.543888	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Na+K"	61.952376
"264231"	654.286568	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+ACN+Na"	64.015768
"1238759"	359.151168	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+ACN+Na"	64.015768
"1724005"	359.174693	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+NH4+HCOOH"	64.039293
"1189356"	121.367684666667	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+3Na"	68.967654
"1658883"	364.130088	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Na+HCOOH"	68.994688
"170117"	667.18984	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+2K-H"	76.91904
"607499"	962.32524	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+2K-H"	76.91904
"1095655"	372.05444	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2K-H"	76.91904
"152469"	334.098558	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"2M+2K"	77.926316
"592029"	481.666258	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"3M+2K"	77.926316
"1080917"	186.530858	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2K"	77.926316
"1108291"	374.068992	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2K+H"	78.933592
"1341395"	374.156607	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+DMSO+H"	79.021207
"1009925"	378.195776	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2ACN+H"	83.060376
"1528050"	379.189408	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+IsoProp+Na+H"	84.054008
"992309"	189.601526	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+2ACN+2H"	84.067652
"1590092"	380.104028	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+K+HCOOH"	84.968628
"1414331"	410.135538	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+H+CF3COOH"	115.000138
"1148590"	210.114801	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+3ACN+2H"	125.094202
"1698870"	427.162085	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+NH4+CF3COOH"	132.026685
"1635617"	432.11748	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+Na+CF3COOH"	136.98208
"1576739"	448.09142	"C07319"	"Sumatriptan"	"C14H21N3O2S"	"295.1354"	"M+K+CF3COOH"	152.95602
"815127"	260.0507	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M"	0
"979550"	241.03231	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-H2O-H"	-19.01839
"66699"	172.359857333333	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M-3H"	-3.021828
"506257"	259.043424	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M-3H"	-3.021828
"890624"	85.6762906666667	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-3H"	-3.021828
"53"	259.043424	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M-2H"	-2.014552
"441223"	389.068774	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M-2H"	-2.014552
"818903"	129.018074	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-2H"	-2.014552
"80353"	519.094124	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M-H"	-1.007276
"522834"	779.144824	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M-H"	-1.007276
"896379"	259.043424	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-H"	-1.007276
"56105"	536.120671	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M-2H+NH4"	16.019271
"500042"	796.171371	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M-2H+NH4"	16.019271
"879806"	276.069971	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-2H+NH4"	16.019271
"47131"	541.076066	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M-2H+Na"	20.974666
"486777"	801.126766	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M-2H+Na"	20.974666
"862754"	281.025366	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-2H+Na"	20.974666
"1633505"	281.025366	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Na-2H"	20.974666
"109423"	277.031763	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M-H+Cl"	33.962126
"549390"	407.057113	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M-H+Cl"	33.962126
"942543"	147.006413	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-H+Cl"	33.962126
"281905"	555.070802	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+Cl"	34.969402
"666670"	815.121502	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+Cl"	34.969402
"1277977"	295.020102	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Cl"	34.969402
"24906"	557.050006	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M-2H+K"	36.948606
"461184"	817.100706	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M-2H+K"	36.948606
"835705"	296.999306	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-2H+K"	36.948606
"1559196"	296.999306	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+K-2H"	36.948606
"944526"	305.048894	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-H+HCOOH"	44.998194
"366388"	565.099601	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+HCOOH-H"	44.998201
"348451"	579.115251	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+Hac-H"	59.013851
"1498017"	319.064551	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Hac-H"	59.013851
"961183"	327.030851	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-H+NaCOOH"	66.980151
"113367"	295.020102	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+2Cl"	69.938804
"552198"	425.045452	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+2Cl"	69.938804
"1023917"	164.994752	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2Cl"	69.938804
"1242036"	338.969585	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Br"	78.918885
"1316151"	341.025572	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Cl+HCOOH"	80.974872
"1330003"	363.007529	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Cl+NaCOOH"	102.956829
"926168"	373.036286	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M-H+CF3COOH"	112.985586
"1297776"	409.012964	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Cl+CF3COOH"	148.962264
"1370470"	225.038024	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H-2H2O"	-35.012676
"1390152"	243.048	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H-H2O"	-17.0027
"294212"	521.108676	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+H"	1.007276
"688820"	781.159376	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+H"	1.007276
"1366022"	261.057976	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H"	1.007276
"138060"	261.057976	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+2H"	2.014552
"572159"	391.083326	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+2H"	2.014552
"1044238"	131.032626	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2H"	2.014552
"209951"	174.374409333333	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+3H"	3.021828
"651697"	261.057976	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+3H"	3.021828
"1166906"	87.6908426666667	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+3H"	3.021828
"426170"	538.135223	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+NH4"	18.033823
"799206"	798.185923	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+NH4"	18.033823
"1696266"	278.084523	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+NH4"	18.033823
"344915"	269.5712495	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+H+NH4"	19.041099
"738025"	399.5965995	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+H+NH4"	19.041099
"1492370"	139.5458995	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H+NH4"	19.041099
"408008"	543.090618	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+Na"	22.989218
"769861"	803.141318	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+Na"	22.989218
"1618310"	283.039918	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Na"	22.989218
"326775"	272.048947	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+H+Na"	23.996494
"718466"	402.074297	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+H+Na"	23.996494
"1473016"	142.023597	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H+Na"	23.996494
"1068252"	95.0181566666667	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2H+Na"	25.00377
"1269765"	293.084186	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+CH3OH+H"	33.033486
"391619"	559.064558	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+K"	38.963158
"753345"	819.115258	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+K"	38.963158
"1553937"	299.013858	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+K"	38.963158
"310383"	280.035917	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+H+K"	39.970434
"699528"	410.061267	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+H+K"	39.970434
"1456636"	150.010567	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H+K"	39.970434
"251211"	562.135226	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+ACN+H"	42.033826
"1225441"	302.084526	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+ACN+H"	42.033826
"1208027"	151.545901	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+ACN+2H"	43.041102
"204096"	565.07256	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+2Na-H"	44.97116
"644221"	825.12326	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+2Na-H"	44.97116
"1146047"	305.02186	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2Na-H"	44.97116
"188348"	283.039918	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+2Na"	45.978436
"627921"	413.065268	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+2Na"	45.978436
"1130861"	153.014568	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2Na"	45.978436
"1412028"	102.345470666667	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H+2Na"	46.985712
"1444872"	307.063446	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H+HCOOH"	47.012746
"233474"	288.07294	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+3H2O+2H"	56.04448
"1522265"	321.11549	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+IsoProp+H"	61.06479
"417213"	291.026888	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+Na+K"	61.952376
"778207"	421.052238	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+Na+K"	61.952376
"1675631"	161.001538	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Na+K"	61.952376
"259965"	584.117168	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+ACN+Na"	64.015768
"1237413"	324.066468	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+ACN+Na"	64.015768
"1726301"	324.089993	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+NH4+HCOOH"	64.039293
"1188011"	109.672784666667	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+3Na"	68.967654
"1662642"	329.045388	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Na+HCOOH"	68.994688
"170231"	597.02044	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+2K-H"	76.91904
"606512"	857.07114	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+2K-H"	76.91904
"1094306"	336.96974	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2K-H"	76.91904
"153673"	299.013858	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"2M+2K"	77.926316
"591774"	429.039208	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"3M+2K"	77.926316
"1079203"	168.988508	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2K"	77.926316
"1112413"	338.984292	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2K+H"	78.933592
"1340414"	339.071907	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+DMSO+H"	79.021207
"1014411"	343.111076	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2ACN+H"	83.060376
"1530348"	344.104708	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+IsoProp+Na+H"	84.054008
"994609"	172.059176	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+2ACN+2H"	84.067652
"1592391"	345.019328	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+K+HCOOH"	84.968628
"1419145"	375.050838	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+H+CF3COOH"	115.000138
"1153808"	192.572451	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+3ACN+2H"	125.094202
"1698986"	392.077385	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+NH4+CF3COOH"	132.026685
"1635726"	397.03278	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+Na+CF3COOH"	136.98208
"1576849"	413.00672	"C07320"	"Suprofen"	"C14H12O3S"	"260.0507"	"M+K+CF3COOH"	152.95602
"809403"	361.1438	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M"	0
"979658"	342.12541	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-H2O-H"	-19.01839
"65712"	239.755257333333	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M-3H"	-3.021828
"505275"	360.136524	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M-3H"	-3.021828
"889641"	119.373990666667	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-3H"	-3.021828
"272"	360.136524	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M-2H"	-2.014552
"440236"	540.708424	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M-2H"	-2.014552
"820472"	179.564624	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-2H"	-2.014552
"79491"	721.280324	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M-H"	-1.007276
"522944"	1082.424124	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M-H"	-1.007276
"896856"	360.136524	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-H"	-1.007276
"56215"	738.306871	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M-2H+NH4"	16.019271
"499059"	1099.450671	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M-2H+NH4"	16.019271
"878816"	377.163071	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-2H+NH4"	16.019271
"46225"	743.262266	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M-2H+Na"	20.974666
"486279"	1104.406066	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M-2H+Na"	20.974666
"863840"	382.118466	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-2H+Na"	20.974666
"1633615"	382.118466	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Na-2H"	20.974666
"108564"	378.124863	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M-H+Cl"	33.962126
"549094"	558.696763	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M-H+Cl"	33.962126
"942246"	197.552963	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-H+Cl"	33.962126
"280799"	757.257002	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+Cl"	34.969402
"666780"	1118.400802	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+Cl"	34.969402
"1276264"	396.113202	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Cl"	34.969402
"25016"	759.236206	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M-2H+K"	36.948606
"461295"	1120.380006	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M-2H+K"	36.948606
"838003"	398.092406	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-2H+K"	36.948606
"1559306"	398.092406	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+K-2H"	36.948606
"943544"	406.141994	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-H+HCOOH"	44.998194
"365406"	767.285801	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+HCOOH-H"	44.998201
"348197"	781.301451	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+Hac-H"	59.013851
"1501407"	420.157651	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Hac-H"	59.013851
"962387"	428.123951	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-H+NaCOOH"	66.980151
"112383"	396.113202	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+2Cl"	69.938804
"552309"	576.685102	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+2Cl"	69.938804
"1024027"	215.541302	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2Cl"	69.938804
"1242631"	440.062685	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Br"	78.918885
"1312616"	442.118672	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Cl+HCOOH"	80.974872
"1326833"	464.100629	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Cl+NaCOOH"	102.956829
"926887"	474.129386	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M-H+CF3COOH"	112.985586
"1301166"	510.106064	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Cl+CF3COOH"	148.962264
"1373860"	326.131124	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H-2H2O"	-35.012676
"1390262"	344.1411	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H-H2O"	-17.0027
"296509"	723.294876	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+H"	1.007276
"690878"	1084.438676	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+H"	1.007276
"1365282"	362.151076	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H"	1.007276
"139995"	362.151076	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+2H"	2.014552
"576640"	542.722976	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+2H"	2.014552
"1048721"	181.579176	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2H"	2.014552
"215528"	241.769809333333	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+3H"	3.021828
"656181"	362.151076	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+3H"	3.021828
"1173212"	121.388542666667	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+3H"	3.021828
"426644"	740.321423	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+NH4"	18.033823
"799316"	1101.465223	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+NH4"	18.033823
"1696587"	379.177623	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+NH4"	18.033823
"341006"	370.6643495	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+H+NH4"	19.041099
"737322"	551.2362495	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+H+NH4"	19.041099
"1487248"	190.0924495	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H+NH4"	19.041099
"405930"	745.276818	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+Na"	22.989218
"769239"	1106.420618	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+Na"	22.989218
"1617094"	384.133018	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Na"	22.989218
"328587"	373.142047	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+H+Na"	23.996494
"718212"	553.713947	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+H+Na"	23.996494
"1470210"	192.570147	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H+Na"	23.996494
"1064917"	128.715856666667	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2H+Na"	25.00377
"1269874"	394.177286	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+CH3OH+H"	33.033486
"389178"	761.250758	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+K"	38.963158
"753091"	1122.394558	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+K"	38.963158
"1550036"	400.106958	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+K"	38.963158
"308305"	381.129017	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+H+K"	39.970434
"702555"	561.700917	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+H+K"	39.970434
"1449084"	200.557117	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H+K"	39.970434
"247533"	764.321426	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+ACN+H"	42.033826
"1225354"	403.177626	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+ACN+H"	42.033826
"1208868"	202.092451	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+ACN+2H"	43.041102
"201373"	767.25876	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+2Na-H"	44.97116
"642395"	1128.40256	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+2Na-H"	44.97116
"1145537"	406.11496	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2Na-H"	44.97116
"185181"	384.133018	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+2Na"	45.978436
"626202"	564.704918	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+2Na"	45.978436
"1130070"	203.561118	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2Na"	45.978436
"1412864"	136.043170666667	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H+2Na"	46.985712
"1443887"	408.156546	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H+HCOOH"	47.012746
"233217"	389.16604	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+3H2O+2H"	56.04448
"1521280"	422.20859	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+IsoProp+H"	61.06479
"422791"	392.119988	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+Na+K"	61.952376
"784149"	572.691888	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+Na+K"	61.952376
"1676472"	211.548088	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Na+K"	61.952376
"264450"	786.303368	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+ACN+Na"	64.015768
"1234972"	425.159568	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+ACN+Na"	64.015768
"1723859"	425.183093	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+NH4+HCOOH"	64.039293
"1187391"	143.370484666667	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+3Na"	68.967654
"1660199"	430.138488	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Na+HCOOH"	68.994688
"167060"	799.20664	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+2K-H"	76.91904
"603341"	1160.35044	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+2K-H"	76.91904
"1092228"	438.06284	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2K-H"	76.91904
"153419"	400.106958	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"2M+2K"	77.926316
"591520"	580.678858	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"3M+2K"	77.926316
"1076396"	219.535058	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2K"	77.926316
"1107419"	440.077392	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2K+H"	78.933592
"1340524"	440.165007	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+DMSO+H"	79.021207
"1011241"	444.204176	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2ACN+H"	83.060376
"1526083"	445.197808	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+IsoProp+Na+H"	84.054008
"994719"	222.605726	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+2ACN+2H"	84.067652
"1589221"	446.112428	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+K+HCOOH"	84.968628
"1419255"	476.143938	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+H+CF3COOH"	115.000138
"1150638"	243.119001	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+3ACN+2H"	125.094202
"1699096"	493.170485	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+NH4+CF3COOH"	132.026685
"1634743"	498.12588	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+Na+CF3COOH"	136.98208
"1576959"	514.09982	"C07321"	"Ofloxacin"	"C18H20FN3O4"	"361.1438"	"M+K+CF3COOH"	152.95602
"809513"	312.1409	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M"	0
"981956"	293.12251	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-H2O-H"	-19.01839
"66916"	207.086657333333	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M-3H"	-3.021828
"505384"	311.133624	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M-3H"	-3.021828
"887564"	103.039690666667	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-3H"	-3.021828
"1763"	311.133624	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M-2H"	-2.014552
"440714"	467.204074	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M-2H"	-2.014552
"818760"	155.063174	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-2H"	-2.014552
"80574"	623.274524	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M-H"	-1.007276
"523054"	935.415424	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M-H"	-1.007276
"896966"	311.133624	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-H"	-1.007276
"53045"	640.301071	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M-2H+NH4"	16.019271
"500870"	952.441971	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M-2H+NH4"	16.019271
"878927"	328.160171	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-2H+NH4"	16.019271
"46176"	645.256466	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M-2H+Na"	20.974666
"485408"	957.397366	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M-2H+Na"	20.974666
"862972"	333.115566	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-2H+Na"	20.974666
"1633364"	333.115566	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Na-2H"	20.974666
"109815"	329.121963	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M-H+Cl"	33.962126
"548842"	485.192413	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M-H+Cl"	33.962126
"942237"	173.051513	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-H+Cl"	33.962126
"280787"	659.251202	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+Cl"	34.969402
"665796"	971.392102	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+Cl"	34.969402
"1276010"	347.110302	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Cl"	34.969402
"24033"	661.230406	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M-2H+K"	36.948606
"463593"	973.371306	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M-2H+K"	36.948606
"835562"	349.089506	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-2H+K"	36.948606
"1561603"	349.089506	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+K-2H"	36.948606
"948393"	357.139094	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-H+HCOOH"	44.998194
"368795"	669.280001	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+HCOOH-H"	44.998201
"352679"	683.295651	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+Hac-H"	59.013851
"1500424"	371.154751	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Hac-H"	59.013851
"963590"	379.121051	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-H+NaCOOH"	66.980151
"114680"	347.110302	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+2Cl"	69.938804
"552418"	503.180752	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+2Cl"	69.938804
"1024501"	191.039852	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2Cl"	69.938804
"1241887"	391.059785	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Br"	78.918885
"1312726"	393.115772	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Cl+HCOOH"	80.974872
"1325849"	415.097729	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Cl+NaCOOH"	102.956829
"924566"	425.126486	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M-H+CF3COOH"	112.985586
"1297995"	461.103164	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Cl+CF3COOH"	148.962264
"1373970"	277.128224	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H-2H2O"	-35.012676
"1387092"	295.1382	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H-H2O"	-17.0027
"295525"	625.289076	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+H"	1.007276
"685759"	937.429976	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+H"	1.007276
"1361014"	313.148176	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H"	1.007276
"140348"	313.148176	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+2H"	2.014552
"578936"	469.218626	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+2H"	2.014552
"1051017"	157.077726	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2H"	2.014552
"215637"	209.101209333333	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+3H"	3.021828
"653006"	313.148176	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+3H"	3.021828
"1173322"	105.054242666667	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+3H"	3.021828
"428212"	642.315623	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+NH4"	18.033823
"799790"	954.456523	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+NH4"	18.033823
"1695276"	330.174723	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+NH4"	18.033823
"345125"	321.6614495	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+H+NH4"	19.041099
"736947"	477.7318995	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+H+NH4"	19.041099
"1491367"	165.5909995	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H+NH4"	19.041099
"407501"	647.271018	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+Na"	22.989218
"767406"	959.411918	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+Na"	22.989218
"1615505"	335.130118	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Na"	22.989218
"327118"	324.139147	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+H+Na"	23.996494
"720872"	480.209597	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+H+Na"	23.996494
"1474697"	168.068697	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H+Na"	23.996494
"1064663"	112.381556666667	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2H+Na"	25.00377
"1268529"	345.174386	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+CH3OH+H"	33.033486
"388925"	663.244958	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+K"	38.963158
"752837"	975.385858	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+K"	38.963158
"1552332"	351.104058	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+K"	38.963158
"308415"	332.126117	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+H+K"	39.970434
"705217"	488.196567	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+H+K"	39.970434
"1450288"	176.055667	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H+K"	39.970434
"246186"	666.315626	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+ACN+H"	42.033826
"1222906"	354.174726	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+ACN+H"	42.033826
"1207519"	177.591001	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+ACN+2H"	43.041102
"202580"	669.25296	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+2Na-H"	44.97116
"643234"	981.39386	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+2Na-H"	44.97116
"1144551"	357.11206	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2Na-H"	44.97116
"186020"	335.130118	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+2Na"	45.978436
"626313"	491.200568	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+2Na"	45.978436
"1129331"	179.059668	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2Na"	45.978436
"1411878"	119.708870666667	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H+2Na"	46.985712
"1444362"	359.153646	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H+HCOOH"	47.012746
"234058"	340.16314	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+3H2O+2H"	56.04448
"1523091"	373.20569	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+IsoProp+H"	61.06479
"422294"	343.117088	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+Na+K"	61.952376
"782799"	499.187538	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+Na+K"	61.952376
"1678038"	187.046638	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Na+K"	61.952376
"263463"	688.297568	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+ACN+Na"	64.015768
"1236541"	376.156668	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+ACN+Na"	64.015768
"1723603"	376.180193	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+NH4+HCOOH"	64.039293
"1188228"	127.036184666667	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+3Na"	68.967654
"1662130"	381.135588	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Na+HCOOH"	68.994688
"166803"	701.20084	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+2K-H"	76.91904
"604544"	1013.34174	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+2K-H"	76.91904
"1093431"	389.05994	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2K-H"	76.91904
"153163"	351.104058	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"2M+2K"	77.926316
"589808"	507.174508	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"3M+2K"	77.926316
"1076506"	195.033608	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2K"	77.926316
"1107527"	391.074492	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2K+H"	78.933592
"1343549"	391.162107	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+DMSO+H"	79.021207
"1011350"	395.201276	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2ACN+H"	83.060376
"1527286"	396.194908	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+IsoProp+Na+H"	84.054008
"994828"	198.104276	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+2ACN+2H"	84.067652
"1590424"	397.109528	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+K+HCOOH"	84.968628
"1418272"	427.141038	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+H+CF3COOH"	115.000138
"1151841"	218.617551	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+3ACN+2H"	125.094202
"1699568"	444.167585	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+NH4+CF3COOH"	132.026685
"1637042"	449.12298	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+Na+CF3COOH"	136.98208
"1577069"	465.09692	"C07322"	"Olanzapine"	"C17H20N4S"	"312.1409"	"M+K+CF3COOH"	152.95602
"809623"	302.0539	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M"	0
"980971"	283.03551	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-H2O-H"	-19.01839
"67026"	200.361990666667	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M-3H"	-3.021828
"506588"	301.046624	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M-3H"	-3.021828
"887675"	99.6773573333333	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-3H"	-3.021828
"2968"	301.046624	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M-2H"	-2.014552
"442527"	452.073574	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M-2H"	-2.014552
"818871"	150.019674	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-2H"	-2.014552
"82508"	603.100524	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M-H"	-1.007276
"523164"	905.154424	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M-H"	-1.007276
"898171"	301.046624	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-H"	-1.007276
"56435"	620.127071	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M-2H+NH4"	16.019271
"500859"	922.180971	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M-2H+NH4"	16.019271
"875987"	318.073171	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-2H+NH4"	16.019271
"46444"	625.082466	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M-2H+Na"	20.974666
"486866"	927.136366	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M-2H+Na"	20.974666
"863210"	323.028566	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-2H+Na"	20.974666
"1632502"	323.028566	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Na-2H"	20.974666
"108905"	319.034963	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M-H+Cl"	33.962126
"548588"	470.061913	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M-H+Cl"	33.962126
"941980"	168.008013	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-H+Cl"	33.962126
"275672"	639.077202	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+Cl"	34.969402
"664814"	941.131102	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+Cl"	34.969402
"1278308"	337.023302	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Cl"	34.969402
"19770"	641.056406	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M-2H+K"	36.948606
"459330"	943.110306	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M-2H+K"	36.948606
"838226"	339.002506	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-2H+K"	36.948606
"1558070"	339.002506	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+K-2H"	36.948606
"948506"	347.052094	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-H+HCOOH"	44.998194
"365627"	649.106001	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+HCOOH-H"	44.998201
"349510"	663.121651	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+Hac-H"	59.013851
"1500534"	361.067751	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Hac-H"	59.013851
"961514"	369.034051	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-H+NaCOOH"	66.980151
"110904"	337.023302	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+2Cl"	69.938804
"551071"	488.050252	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+2Cl"	69.938804
"1023154"	185.996352	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2Cl"	69.938804
"1241878"	380.972785	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Br"	78.918885
"1315025"	383.028772	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Cl+HCOOH"	80.974872
"1324866"	405.010729	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Cl+NaCOOH"	102.956829
"919205"	415.039486	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M-H+CF3COOH"	112.985586
"1299200"	451.016164	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Cl+CF3COOH"	148.962264
"1377360"	267.041224	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H-2H2O"	-35.012676
"1390482"	285.0512	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H-H2O"	-17.0027
"294542"	605.115076	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+H"	1.007276
"688056"	907.168976	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+H"	1.007276
"1365498"	303.061176	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H"	1.007276
"136205"	303.061176	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+2H"	2.014552
"576861"	454.088126	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+2H"	2.014552
"1050034"	152.034226	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2H"	2.014552
"214654"	202.376542666667	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+3H"	3.021828
"650930"	303.061176	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+3H"	3.021828
"1172338"	101.691909333333	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+3H"	3.021828
"427229"	622.141623	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+NH4"	18.033823
"800266"	924.195523	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+NH4"	18.033823
"1696238"	320.087723	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+NH4"	18.033823
"345558"	311.5744495	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+H+NH4"	19.041099
"736936"	462.6013995	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+H+NH4"	19.041099
"1491477"	160.5474995	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H+NH4"	19.041099
"407609"	627.097018	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+Na"	22.989218
"767146"	929.150918	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+Na"	22.989218
"1616344"	325.043118	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Na"	22.989218
"327474"	314.052147	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+H+Na"	23.996494
"720618"	465.079097	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+H+Na"	23.996494
"1473708"	163.025197	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H+Na"	23.996494
"1066233"	109.019223333333	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2H+Na"	25.00377
"1269368"	335.087386	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+CH3OH+H"	33.033486
"391222"	643.070958	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+K"	38.963158
"752582"	945.124858	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+K"	38.963158
"1551349"	341.017058	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+K"	38.963158
"310710"	322.039117	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+H+K"	39.970434
"706055"	473.066067	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+H+K"	39.970434
"1450398"	171.012167	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H+K"	39.970434
"248849"	646.141626	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+ACN+H"	42.033826
"1224599"	344.087726	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+ACN+H"	42.033826
"1208725"	172.547501	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+ACN+2H"	43.041102
"201970"	649.07896	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+2Na-H"	44.97116
"641519"	951.13286	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+2Na-H"	44.97116
"1145761"	347.02506	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2Na-H"	44.97116
"187225"	325.043118	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+2Na"	45.978436
"625701"	476.070068	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+2Na"	45.978436
"1128834"	174.016168	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2Na"	45.978436
"1411265"	116.346537333333	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H+2Na"	46.985712
"1443622"	349.066646	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H+HCOOH"	47.012746
"234289"	330.07614	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+3H2O+2H"	56.04448
"1522839"	363.11869	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+IsoProp+H"	61.06479
"416449"	333.030088	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+Na+K"	61.952376
"779628"	484.057038	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+Na+K"	61.952376
"1671588"	182.003138	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Na+K"	61.952376
"260296"	668.123568	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+ACN+Na"	64.015768
"1233005"	366.069668	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+ACN+Na"	64.015768
"1722985"	366.093193	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+NH4+HCOOH"	64.039293
"1189797"	123.673851333333	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+3Na"	68.967654
"1661147"	371.048588	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Na+HCOOH"	68.994688
"166184"	681.02684	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+2K-H"	76.91904
"606478"	983.08074	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+2K-H"	76.91904
"1093541"	378.97294	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2K-H"	76.91904
"150357"	341.017058	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"2M+2K"	77.926316
"588823"	492.044008	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"3M+2K"	77.926316
"1081720"	189.990108	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2K"	77.926316
"1102172"	380.987492	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2K+H"	78.933592
"1340744"	381.075107	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+DMSO+H"	79.021207
"1008543"	385.114276	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2ACN+H"	83.060376
"1530680"	386.107908	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+IsoProp+Na+H"	84.054008
"994940"	193.060776	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+2ACN+2H"	84.067652
"1594911"	387.022528	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+K+HCOOH"	84.968628
"1416561"	417.054038	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+H+CF3COOH"	115.000138
"1153045"	213.574051	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+3ACN+2H"	125.094202
"1698220"	434.080585	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+NH4+CF3COOH"	132.026685
"1636058"	439.03598	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+Na+CF3COOH"	136.98208
"1576086"	455.00992	"C07323"	"Olsalazine"	"C14H10N2O6"	"302.0539"	"M+K+CF3COOH"	152.95602
"809733"	345.1147	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M"	0
"978894"	326.09631	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-H2O-H"	-19.01839
"64948"	229.069190666667	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M-3H"	-3.021828
"505231"	344.107424	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M-3H"	-3.021828
"881587"	114.030957333333	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-3H"	-3.021828
"1010"	344.107424	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M-2H"	-2.014552
"441057"	516.664774	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M-2H"	-2.014552
"818008"	171.550074	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-2H"	-2.014552
"81160"	689.222124	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M-H"	-1.007276
"523274"	1034.336824	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M-H"	-1.007276
"897915"	344.107424	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-H"	-1.007276
"57276"	706.248671	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M-2H+NH4"	16.019271
"501820"	1051.363371	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M-2H+NH4"	16.019271
"876097"	361.133971	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-2H+NH4"	16.019271
"38530"	711.204066	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M-2H+Na"	20.974666
"486930"	1056.318766	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M-2H+Na"	20.974666
"864055"	366.089366	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-2H+Na"	20.974666
"1634103"	366.089366	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Na-2H"	20.974666
"109587"	362.095763	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M-H+Cl"	33.962126
"549186"	534.653113	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M-H+Cl"	33.962126
"942576"	189.538413	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-H+Cl"	33.962126
"279062"	725.198802	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+Cl"	34.969402
"670392"	1070.313502	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+Cl"	34.969402
"1278420"	380.084102	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Cl"	34.969402
"19880"	727.178006	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M-2H+K"	36.948606
"459440"	1072.292706	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M-2H+K"	36.948606
"839429"	382.063306	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-2H+K"	36.948606
"1560731"	382.063306	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+K-2H"	36.948606
"949710"	390.112894	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-H+HCOOH"	44.998194
"365739"	735.227601	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+HCOOH-H"	44.998201
"348529"	749.243251	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+Hac-H"	59.013851
"1496270"	404.128551	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Hac-H"	59.013851
"959679"	412.094851	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-H+NaCOOH"	66.980151
"111622"	380.084102	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+2Cl"	69.938804
"550696"	552.641452	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+2Cl"	69.938804
"1023264"	207.526752	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2Cl"	69.938804
"1241744"	424.033585	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Br"	78.918885
"1312946"	426.089572	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Cl+HCOOH"	80.974872
"1330444"	448.071529	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Cl+NaCOOH"	102.956829
"919315"	458.100286	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M-H+CF3COOH"	112.985586
"1298215"	494.076964	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Cl+CF3COOH"	148.962264
"1374189"	310.102024	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H-2H2O"	-35.012676
"1392779"	328.112	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H-H2O"	-17.0027
"294652"	691.236676	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+H"	1.007276
"683791"	1036.351376	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+H"	1.007276
"1359044"	346.121976	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H"	1.007276
"134128"	346.121976	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+2H"	2.014552
"576971"	518.679326	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+2H"	2.014552
"1049050"	173.564626	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2H"	2.014552
"216584"	231.083742666667	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+3H"	3.021828
"655415"	346.121976	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+3H"	3.021828
"1173541"	116.045509333333	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+3H"	3.021828
"428432"	708.263223	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+NH4"	18.033823
"799646"	1053.377923	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+NH4"	18.033823
"1695611"	363.148523	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+NH4"	18.033823
"342064"	354.6352495	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+H+NH4"	19.041099
"738508"	527.1925995	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+H+NH4"	19.041099
"1486485"	182.0778995	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H+NH4"	19.041099
"406626"	713.218618	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+Na"	22.989218
"767985"	1058.333318	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+Na"	22.989218
"1617911"	368.103918	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Na"	22.989218
"327945"	357.112947	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+H+Na"	23.996494
"719997"	529.670297	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+H+Na"	23.996494
"1473818"	184.555597	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H+Na"	23.996494
"1065975"	123.372823333333	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2H+Na"	25.00377
"1271300"	378.148186	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+CH3OH+H"	33.033486
"390239"	729.192558	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+K"	38.963158
"753422"	1074.307258	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+K"	38.963158
"1551095"	384.077858	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+K"	38.963158
"308634"	365.099917	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+H+K"	39.970434
"698875"	537.657267	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+H+K"	39.970434
"1454882"	192.542567	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H+K"	39.970434
"250661"	732.263226	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+ACN+H"	42.033826
"1225440"	387.148526	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+ACN+H"	42.033826
"1206643"	194.077901	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+ACN+2H"	43.041102
"203901"	735.20056	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+2Na-H"	44.97116
"643576"	1080.31526	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+2Na-H"	44.97116
"1145387"	390.08586	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2Na-H"	44.97116
"186969"	368.103918	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+2Na"	45.978436
"626538"	540.661268	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+2Na"	45.978436
"1125662"	195.546568	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2Na"	45.978436
"1409186"	130.700137333333	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H+2Na"	46.985712
"1443123"	392.127446	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H+HCOOH"	47.012746
"234768"	373.13694	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+3H2O+2H"	56.04448
"1522464"	406.17949	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+IsoProp+H"	61.06479
"416559"	376.090888	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+Na+K"	61.952376
"778646"	548.648238	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+Na+K"	61.952376
"1676071"	203.533538	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Na+K"	61.952376
"262593"	754.245168	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+ACN+Na"	64.015768
"1235301"	409.130468	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+ACN+Na"	64.015768
"1723093"	409.153993	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+NH4+HCOOH"	64.039293
"1189907"	138.027451333333	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+3Na"	68.967654
"1659434"	414.109388	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Na+HCOOH"	68.994688
"165930"	767.14844	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+2K-H"	76.91904
"606952"	1112.26314	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+2K-H"	76.91904
"1094745"	422.03374	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2K-H"	76.91904
"153384"	384.077858	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"2M+2K"	77.926316
"592944"	556.635208	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"3M+2K"	77.926316
"1081104"	211.520508	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2K"	77.926316
"1111032"	424.048292	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2K+H"	78.933592
"1344135"	424.135907	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+DMSO+H"	79.021207
"1014850"	428.175076	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2ACN+H"	83.060376
"1538812"	429.168708	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+IsoProp+Na+H"	84.054008
"999425"	214.591176	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+2ACN+2H"	84.067652
"1599396"	430.083328	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+K+HCOOH"	84.968628
"1422868"	460.114838	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+H+CF3COOH"	115.000138
"1149875"	235.104451	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+3ACN+2H"	125.094202
"1698695"	477.141385	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+NH4+CF3COOH"	132.026685
"1636167"	482.09678	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+Na+CF3COOH"	136.98208
"1576196"	498.07072	"C07324"	"Omeprazole"	"C17H19N3O3S"	"345.1147"	"M+K+CF3COOH"	152.95602
"809843"	293.1528	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M"	0
"979003"	274.13441	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-H2O-H"	-19.01839
"65421"	194.427924	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M-3H"	-3.021828
"504253"	292.145524	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M-3H"	-3.021828
"883516"	96.710324	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-3H"	-3.021828
"3186"	292.145524	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M-2H"	-2.014552
"443111"	438.721924	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M-2H"	-2.014552
"819090"	145.569124	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-2H"	-2.014552
"83822"	585.298324	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M-H"	-1.007276
"524112"	878.451124	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M-H"	-1.007276
"899727"	292.145524	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-H"	-1.007276
"57386"	602.324871	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M-2H+NH4"	16.019271
"501809"	895.477671	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M-2H+NH4"	16.019271
"874020"	309.172071	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-2H+NH4"	16.019271
"38640"	607.280266	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M-2H+Na"	20.974666
"486761"	900.433066	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M-2H+Na"	20.974666
"864179"	314.127466	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-2H+Na"	20.974666
"1634057"	314.127466	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Na-2H"	20.974666
"109896"	310.133863	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M-H+Cl"	33.962126
"549783"	456.710263	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M-H+Cl"	33.962126
"942401"	163.557463	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-H+Cl"	33.962126
"280266"	621.275002	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+Cl"	34.969402
"671595"	914.427802	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+Cl"	34.969402
"1277800"	328.122202	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Cl"	34.969402
"19990"	623.254206	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M-2H+K"	36.948606
"459550"	916.407006	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M-2H+K"	36.948606
"840633"	330.101406	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-2H+K"	36.948606
"1560840"	330.101406	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+K-2H"	36.948606
"947631"	338.150994	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-H+HCOOH"	44.998194
"365849"	631.303801	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+HCOOH-H"	44.998201
"350825"	645.319451	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+Hac-H"	59.013851
"1496380"	352.166651	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Hac-H"	59.013851
"960396"	360.132951	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-H+NaCOOH"	66.980151
"111732"	328.122202	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+2Cl"	69.938804
"551292"	474.698602	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+2Cl"	69.938804
"1023374"	181.545802	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2Cl"	69.938804
"1245140"	372.071685	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Br"	78.918885
"1310870"	374.127672	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Cl+HCOOH"	80.974872
"1333835"	396.109629	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Cl+NaCOOH"	102.956829
"919425"	406.138386	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M-H+CF3COOH"	112.985586
"1298325"	442.115064	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Cl+CF3COOH"	148.962264
"1379767"	258.140124	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H-2H2O"	-35.012676
"1390702"	276.1501	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H-H2O"	-17.0027
"294762"	587.312876	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+H"	1.007276
"686088"	880.465676	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+H"	1.007276
"1358061"	294.160076	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H"	1.007276
"137518"	294.160076	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+2H"	2.014552
"579267"	440.736476	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+2H"	2.014552
"1046972"	147.583676	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2H"	2.014552
"215965"	196.442476	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+3H"	3.021828
"653339"	294.160076	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+3H"	3.021828
"1173650"	98.724876	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+3H"	3.021828
"426722"	604.339423	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+NH4"	18.033823
"800890"	897.492223	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+NH4"	18.033823
"1694988"	311.186623	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+NH4"	18.033823
"343267"	302.6733495	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+H+NH4"	19.041099
"738334"	449.2497495	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+H+NH4"	19.041099
"1490603"	156.0969495	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H+NH4"	19.041099
"408319"	609.294818	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+Na"	22.989218
"768459"	902.447618	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+Na"	22.989218
"1617049"	316.142018	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Na"	22.989218
"328054"	305.151047	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+H+Na"	23.996494
"719015"	451.727447	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+H+Na"	23.996494
"1473928"	158.574647	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H+Na"	23.996494
"1066813"	106.05219	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2H+Na"	25.00377
"1271046"	326.186286	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+CH3OH+H"	33.033486
"391079"	625.268758	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+K"	38.963158
"753167"	918.421558	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+K"	38.963158
"1554975"	332.115958	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+K"	38.963158
"309840"	313.138017	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+H+K"	39.970434
"705182"	459.714417	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+H+K"	39.970434
"1457908"	166.561617	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H+K"	39.970434
"251303"	628.339426	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+ACN+H"	42.033826
"1225540"	335.186626	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+ACN+H"	42.033826
"1209305"	168.096951	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+ACN+2H"	43.041102
"203403"	631.27676	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+2Na-H"	44.97116
"643206"	924.42956	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+2Na-H"	44.97116
"1146466"	338.12396	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2Na-H"	44.97116
"187934"	316.142018	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+2Na"	45.978436
"626644"	462.718418	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+2Na"	45.978436
"1130148"	169.565618	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2Na"	45.978436
"1412942"	113.379504	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H+2Na"	46.985712
"1445180"	340.165546	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H+HCOOH"	47.012746
"235369"	321.17504	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+3H2O+2H"	56.04448
"1523789"	354.21759	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+IsoProp+H"	61.06479
"417762"	324.128988	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+Na+K"	61.952376
"782037"	470.705388	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+Na+K"	61.952376
"1678006"	177.552588	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Na+K"	61.952376
"263797"	650.321368	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+ACN+Na"	64.015768
"1238691"	357.168568	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+ACN+Na"	64.015768
"1724663"	357.192093	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+NH4+HCOOH"	64.039293
"1189654"	120.706818	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+3Na"	68.967654
"1661367"	362.147488	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Na+HCOOH"	68.994688
"166404"	663.22464	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+2K-H"	76.91904
"604875"	956.37744	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+2K-H"	76.91904
"1094856"	370.07184	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2K-H"	76.91904
"152765"	332.115958	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"2M+2K"	77.926316
"591231"	478.692358	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"3M+2K"	77.926316
"1082307"	185.539558	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2K"	77.926316
"1111140"	372.086392	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2K+H"	78.933592
"1344245"	372.174007	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+DMSO+H"	79.021207
"1014960"	376.213176	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2ACN+H"	83.060376
"1539044"	377.206808	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+IsoProp+Na+H"	84.054008
"1000629"	188.610226	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+2ACN+2H"	84.067652
"1602180"	378.121428	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+K+HCOOH"	84.968628
"1419698"	408.152938	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+H+CF3COOH"	115.000138
"1149985"	209.123501	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+3ACN+2H"	125.094202
"1700991"	425.179485	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+NH4+CF3COOH"	132.026685
"1635548"	430.13488	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+Na+CF3COOH"	136.98208
"1576306"	446.10882	"C07325"	"Ondansetron"	"C18H19N3O"	"293.1528"	"M+K+CF3COOH"	152.95602
"809953"	164.0685	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M"	0
"978020"	145.05011	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"65167"	108.371724	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"506914"	163.061224	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"883626"	53.682224	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"3297"	163.061224	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"441035"	245.095474	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"818474"	81.026974	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"86120"	327.129724	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"526776"	491.198224	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"898015"	163.061224	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"60413"	344.156271	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"500702"	508.224771	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"871943"	180.087771	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"36563"	349.111666	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"486829"	513.180166	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"864026"	185.043166	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1632942"	185.043166	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"109312"	181.049563	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"549484"	263.083813	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"942144"	99.015313	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"278189"	363.106402	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"674866"	527.174902	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1280828"	199.037902	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"23381"	365.085606	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"461850"	529.154106	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"836371"	201.017106	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1563140"	201.017106	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"948835"	209.066694	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"368145"	373.135201	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"348750"	387.150851	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1496490"	223.082351	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"959778"	231.048651	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"110207"	199.037902	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"549979"	281.072152	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1026766"	117.003652	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1247438"	242.987385	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1316448"	245.043372	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1333581"	267.025329	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"919535"	277.054086	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1297337"	313.030764	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1380968"	129.055824	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1390812"	147.0658	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"293779"	329.144276	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"685105"	493.212776	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1359265"	165.075776	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"136535"	165.075776	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"571720"	247.110026	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1050362"	83.041526	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"216075"	110.386276	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"653449"	165.075776	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1172667"	55.696776	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"426832"	346.170823	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"799138"	510.239323	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1695949"	182.102323	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"343741"	173.5890495	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"738321"	255.6232995	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1489987"	91.5547995	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"408183"	351.126218	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"768207"	515.194718	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1617766"	187.057718	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"328532"	176.066747	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"720225"	258.100997	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1475502"	94.032497	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1068185"	63.02409	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1271520"	197.101986	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"390460"	367.100158	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"752548"	531.168658	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1554235"	203.031658	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"314128"	184.053717	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"703105"	266.087967	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1456925"	102.019467	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"250880"	370.170826	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1225047"	206.102326	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1209458"	103.554801	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"204000"	373.10816	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"643958"	537.17666	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1146698"	209.03966	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"187555"	187.057718	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"627118"	269.091968	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1128067"	105.023468	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1411228"	70.351404	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1443343"	211.081246	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"235431"	192.09074	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1523899"	225.13329	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"417872"	195.044688	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"782147"	277.078938	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1677387"	113.010438	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"262813"	392.152768	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1237708"	228.084268	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1724408"	228.107793	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1190856"	77.678718	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1661476"	233.063188	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"167606"	405.05604	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"604985"	569.12454	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1094965"	240.98754	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"152874"	203.031658	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"590977"	285.065908	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1076949"	120.997408	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1107970"	243.002092	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1344355"	243.089707	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1015070"	247.128876	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1527729"	248.122508	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1001832"	124.068076	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1600345"	249.037128	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1419807"	279.068638	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1151188"	144.581351	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1700737"	296.095185	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1635658"	301.05058	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1573500"	317.02452	"C07326"	"15-Anhydro-D-glucitol;15-Anhydro-D-sorbitol;15-Anhydroglucitol"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"810063"	107.0371	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M"	0
"977037"	88.01871	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-H2O-H"	-19.01839
"69651"	70.3507906666667	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M-3H"	-3.021828
"509211"	106.029824	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M-3H"	-3.021828
"888111"	34.6717573333333	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-3H"	-3.021828
"8875"	106.029824	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M-2H"	-2.014552
"447343"	159.548374	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M-2H"	-2.014552
"826968"	52.511274	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-2H"	-2.014552
"88782"	213.066924	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M-H"	-1.007276
"533698"	320.104024	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M-H"	-1.007276
"910530"	106.029824	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-H"	-1.007276
"61501"	230.093471	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M-2H+NH4"	16.019271
"501179"	337.130571	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M-2H+NH4"	16.019271
"878498"	123.056371	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-2H+NH4"	16.019271
"45425"	235.048866	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M-2H+Na"	20.974666
"486817"	342.085966	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M-2H+Na"	20.974666
"863769"	128.011766	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-2H+Na"	20.974666
"1633542"	128.011766	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Na-2H"	20.974666
"108977"	124.018163	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M-H+Cl"	33.962126
"548660"	177.536713	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M-H+Cl"	33.962126
"941809"	70.499613	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-H+Cl"	33.962126
"278299"	249.043602	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+Cl"	34.969402
"666346"	356.080702	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+Cl"	34.969402
"1285313"	142.006502	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Cl"	34.969402
"24587"	251.022806	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M-2H+K"	36.948606
"458681"	358.059906	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M-2H+K"	36.948606
"839762"	143.985706	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-2H+K"	36.948606
"1563250"	143.985706	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+K-2H"	36.948606
"951132"	152.035294	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-H+HCOOH"	44.998194
"370442"	259.072401	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+HCOOH-H"	44.998201
"352140"	273.088051	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+Hac-H"	59.013851
"1502067"	166.050951	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Hac-H"	59.013851
"966329"	174.017251	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-H+NaCOOH"	66.980151
"115236"	142.006502	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+2Cl"	69.938804
"560264"	195.525052	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+2Cl"	69.938804
"1032344"	88.487952	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2Cl"	69.938804
"1253016"	185.955985	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Br"	78.918885
"1315465"	188.011972	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Cl+HCOOH"	80.974872
"1332962"	209.993929	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Cl+NaCOOH"	102.956829
"920738"	220.022686	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M-H+CF3COOH"	112.985586
"1298540"	255.999364	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Cl+CF3COOH"	148.962264
"1382374"	72.024424	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H-2H2O"	-35.012676
"1394198"	90.0344	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H-H2O"	-17.0027
"290604"	215.081476	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+H"	1.007276
"678651"	322.118576	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+H"	1.007276
"1364843"	108.044376	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H"	1.007276
"136644"	108.044376	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+2H"	2.014552
"569641"	161.562926	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+2H"	2.014552
"1045004"	54.525826	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2H"	2.014552
"209624"	72.3653426666667	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+3H"	3.021828
"646994"	108.044376	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+3H"	3.021828
"1171684"	36.6863093333333	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+3H"	3.021828
"432775"	232.108023	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+NH4"	18.033823
"800102"	339.145123	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+NH4"	18.033823
"1695212"	125.070923	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+NH4"	18.033823
"341663"	116.5576495	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+H+NH4"	19.041099
"737373"	170.0761995	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+H+NH4"	19.041099
"1490460"	63.0390995	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H+NH4"	19.041099
"406837"	237.063418	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+Na"	22.989218
"767952"	344.100518	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+Na"	22.989218
"1617636"	130.026318	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Na"	22.989218
"327550"	119.035347	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+H+Na"	23.996494
"722161"	172.553897	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+H+Na"	23.996494
"1476103"	65.516797	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H+Na"	23.996494
"1067650"	44.0136233333333	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2H+Na"	25.00377
"1272717"	140.070586	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+CH3OH+H"	33.033486
"392273"	253.037358	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+K"	38.963158
"753757"	360.074458	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+K"	38.963158
"1554841"	146.000258	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+K"	38.963158
"313596"	127.022317	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+H+K"	39.970434
"703581"	180.540867	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+H+K"	39.970434
"1455942"	73.503767	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H+K"	39.970434
"250869"	256.108026	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+ACN+H"	42.033826
"1224915"	149.070926	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+ACN+H"	42.033826
"1207336"	75.039101	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+ACN+2H"	43.041102
"203130"	259.04536	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+2Na-H"	44.97116
"642690"	366.08246	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+2Na-H"	44.97116
"1146198"	152.00826	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2Na-H"	44.97116
"186207"	130.026318	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+2Na"	45.978436
"625040"	183.544868	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+2Na"	45.978436
"1126720"	76.507768	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2Na"	45.978436
"1410975"	51.3409373333333	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H+2Na"	46.985712
"1442725"	154.049846	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H+HCOOH"	47.012746
"232422"	135.05934	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+3H2O+2H"	56.04448
"1523406"	168.10189	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+IsoProp+H"	61.06479
"422359"	138.013288	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+Na+K"	61.952376
"782988"	191.531838	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+Na+K"	61.952376
"1676768"	84.494738	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Na+K"	61.952376
"263288"	278.089968	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+ACN+Na"	64.015768
"1238548"	171.052868	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+ACN+Na"	64.015768
"1727437"	171.076393	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+NH4+HCOOH"	64.039293
"1191332"	58.6682513333333	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+3Na"	68.967654
"1662319"	176.031788	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Na+HCOOH"	68.994688
"166627"	290.99324	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+2K-H"	76.91904
"605095"	398.03034	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+2K-H"	76.91904
"1092889"	183.95614	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2K-H"	76.91904
"149340"	146.000258	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"2M+2K"	77.926316
"591087"	199.518808	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"3M+2K"	77.926316
"1078152"	92.481708	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2K"	77.926316
"1108080"	185.970692	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2K+H"	78.933592
"1344465"	186.058307	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+DMSO+H"	79.021207
"1014816"	190.097476	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2ACN+H"	83.060376
"1527839"	191.091108	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+IsoProp+Na+H"	84.054008
"1001942"	95.552376	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+2ACN+2H"	84.067652
"1600455"	192.005728	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+K+HCOOH"	84.968628
"1419917"	222.037238	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+H+CF3COOH"	115.000138
"1149475"	116.065651	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+3ACN+2H"	125.094202
"1699752"	239.063785	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+NH4+CF3COOH"	132.026685
"1636862"	244.01918	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+Na+CF3COOH"	136.98208
"1576526"	259.99312	"C07327"	"3-Pyridinaldehyde;Pyridine-3-aldehyde;3-Pyridinecarboxaldehyde;Nicotinaldehyde"	"C6H5NO"	"107.0371"	"M+K+CF3COOH"	152.95602
"810173"	88.0888	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M"	0
"977146"	69.07041	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-H2O-H"	-19.01839
"65021"	57.7185906666667	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M-3H"	-3.021828
"504947"	87.081524	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M-3H"	-3.021828
"881659"	28.3556573333333	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-3H"	-3.021828
"6796"	87.081524	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M-2H"	-2.014552
"441984"	131.125924	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M-2H"	-2.014552
"821973"	43.037124	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-2H"	-2.014552
"83058"	175.170324	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M-H"	-1.007276
"532223"	263.259124	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M-H"	-1.007276
"909548"	87.081524	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-H"	-1.007276
"61247"	192.196871	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M-2H+NH4"	16.019271
"500559"	280.285671	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M-2H+NH4"	16.019271
"878245"	104.108071	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-2H+NH4"	16.019271
"45657"	197.152266	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M-2H+Na"	20.974666
"486442"	285.241066	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M-2H+Na"	20.974666
"863028"	109.063466	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-2H+Na"	20.974666
"1630979"	109.063466	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Na-2H"	20.974666
"107871"	105.069863	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M-H+Cl"	33.962126
"547556"	149.114263	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M-H+Cl"	33.962126
"940704"	61.025463	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-H+Cl"	33.962126
"278409"	211.147002	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+Cl"	34.969402
"668643"	299.235802	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+Cl"	34.969402
"1286152"	123.058202	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Cl"	34.969402
"21417"	213.126206	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M-2H+K"	36.948606
"458791"	301.215006	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M-2H+K"	36.948606
"839872"	125.037406	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-2H+K"	36.948606
"1557164"	125.037406	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+K-2H"	36.948606
"950149"	133.086994	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-H+HCOOH"	44.998194
"367272"	221.175801	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+HCOOH-H"	44.998201
"352250"	235.191451	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+Hac-H"	59.013851
"1499989"	147.102651	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Hac-H"	59.013851
"963157"	155.068951	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-H+NaCOOH"	66.980151
"112065"	123.058202	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+2Cl"	69.938804
"559279"	167.102602	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+2Cl"	69.938804
"1031360"	79.013802	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2Cl"	69.938804
"1254219"	167.007685	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Br"	78.918885
"1312295"	169.063672	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Cl+HCOOH"	80.974872
"1333072"	191.045629	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Cl+NaCOOH"	102.956829
"920848"	201.074386	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M-H+CF3COOH"	112.985586
"1295370"	237.051064	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Cl+CF3COOH"	148.962264
"1377906"	53.076124	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H-2H2O"	-35.012676
"1391028"	71.0861	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H-H2O"	-17.0027
"290714"	177.184876	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+H"	1.007276
"679125"	265.273676	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+H"	1.007276
"1366046"	89.096076	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H"	1.007276
"128005"	89.096076	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+2H"	2.014552
"569022"	133.140476	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+2H"	2.014552
"1041834"	45.051676	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2H"	2.014552
"209733"	59.7331426666667	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+3H"	3.021828
"646010"	89.096076	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+3H"	3.021828
"1169607"	30.3702093333333	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+3H"	3.021828
"429603"	194.211423	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+NH4"	18.033823
"799724"	282.300223	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+NH4"	18.033823
"1696297"	106.122623	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+NH4"	18.033823
"342866"	97.6093495	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+H+NH4"	19.041099
"737118"	141.6537495	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+H+NH4"	19.041099
"1492029"	53.5649495	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H+NH4"	19.041099
"407068"	199.166818	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+Na"	22.989218
"768060"	287.255618	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+Na"	22.989218
"1616893"	111.078018	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Na"	22.989218
"326930"	100.087047	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+H+Na"	23.996494
"721174"	144.131447	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+H+Na"	23.996494
"1476213"	56.042647	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H+Na"	23.996494
"1068372"	37.6975233333333	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2H+Na"	25.00377
"1272356"	121.122286	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+CH3OH+H"	33.033486
"392467"	215.140758	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+K"	38.963158
"753624"	303.229558	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+K"	38.963158
"1555437"	127.051958	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+K"	38.963158
"313707"	108.074017	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+H+K"	39.970434
"706365"	152.118417	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+H+K"	39.970434
"1457145"	64.029617	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H+K"	39.970434
"250616"	218.211426	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+ACN+H"	42.033826
"1224540"	130.122626	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+ACN+H"	42.033826
"1207446"	65.564951	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+ACN+2H"	43.041102
"202755"	221.14876	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+2Na-H"	44.97116
"642076"	309.23756	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+2Na-H"	44.97116
"1144128"	133.05996	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2Na-H"	44.97116
"186323"	111.078018	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+2Na"	45.978436
"626246"	155.122418	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+2Na"	45.978436
"1129383"	67.033618	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2Na"	45.978436
"1410357"	45.0248373333333	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H+2Na"	46.985712
"1443565"	135.101546	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H+HCOOH"	47.012746
"234963"	116.11104	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+3H2O+2H"	56.04448
"1523395"	149.15359	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+IsoProp+H"	61.06479
"423077"	119.064988	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+Na+K"	61.952376
"781642"	163.109388	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+Na+K"	61.952376
"1676877"	75.020588	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Na+K"	61.952376
"264491"	240.193368	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+ACN+Na"	64.015768
"1238294"	152.104568	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+ACN+Na"	64.015768
"1727548"	152.128093	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+NH4+HCOOH"	64.039293
"1191077"	52.3521513333333	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+3Na"	68.967654
"1663765"	157.083488	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Na+HCOOH"	68.994688
"168923"	253.09664	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+2K-H"	76.91904
"607028"	341.18544	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+2K-H"	76.91904
"1094821"	165.00784	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2K-H"	76.91904
"152731"	127.051958	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"2M+2K"	77.926316
"586823"	171.096358	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"3M+2K"	77.926316
"1078991"	83.007558	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2K"	77.926316
"1110742"	167.022392	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2K+H"	78.933592
"1347491"	167.110007	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+DMSO+H"	79.021207
"1012010"	171.149176	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2ACN+H"	83.060376
"1527949"	172.142808	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+IsoProp+Na+H"	84.054008
"1001688"	86.078226	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+2ACN+2H"	84.067652
"1600565"	173.057428	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+K+HCOOH"	84.968628
"1420027"	203.088938	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+H+CF3COOH"	115.000138
"1150314"	106.591501	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+3ACN+2H"	125.094202
"1699862"	220.115485	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+NH4+CF3COOH"	132.026685
"1637701"	225.07088	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+Na+CF3COOH"	136.98208
"1576636"	241.04482	"C07328"	"3-Methylbutanol;Isoamyl alcohol;Isopentyl alcohol"	"C5H12O"	"88.0888"	"M+K+CF3COOH"	152.95602
"816360"	86.0732	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M"	0
"983818"	67.05481	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-H2O-H"	-19.01839
"68780"	56.3748573333333	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M-3H"	-3.021828
"511619"	85.065924	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M-3H"	-3.021828
"891610"	27.6837906666667	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-3H"	-3.021828
"5815"	85.065924	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M-2H"	-2.014552
"444282"	128.102524	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M-2H"	-2.014552
"822083"	42.029324	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-2H"	-2.014552
"93866"	171.139124	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M-H"	-1.007276
"532454"	257.212324	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M-H"	-1.007276
"910958"	85.065924	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-H"	-1.007276
"62535"	188.165671	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M-2H+NH4"	16.019271
"501783"	274.238871	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M-2H+NH4"	16.019271
"879462"	102.092471	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-2H+NH4"	16.019271
"46391"	193.121066	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M-2H+Na"	20.974666
"486439"	279.194266	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M-2H+Na"	20.974666
"863022"	107.047866	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-2H+Na"	20.974666
"1633035"	107.047866	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Na-2H"	20.974666
"109772"	103.054263	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M-H+Cl"	33.962126
"549368"	146.090863	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M-H+Cl"	33.962126
"942033"	60.017663	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-H+Cl"	33.962126
"279614"	207.115802	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+Cl"	34.969402
"674220"	293.189002	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+Cl"	34.969402
"1286626"	121.042602	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Cl"	34.969402
"30882"	209.095006	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M-2H+K"	36.948606
"462181"	295.168206	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M-2H+K"	36.948606
"841075"	123.021806	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-2H+K"	36.948606
"1561283"	123.021806	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+K-2H"	36.948606
"953539"	131.071394	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-H+HCOOH"	44.998194
"368475"	217.144601	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+HCOOH-H"	44.998201
"356734"	231.160251	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+Hac-H"	59.013851
"1503379"	145.087051	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Hac-H"	59.013851
"966547"	153.053351	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-H+NaCOOH"	66.980151
"115455"	121.042602	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+2Cl"	69.938804
"558297"	164.079202	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+2Cl"	69.938804
"1030377"	78.006002	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2Cl"	69.938804
"1252142"	164.992085	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Br"	78.918885
"1314592"	167.048072	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Cl+HCOOH"	80.974872
"1330995"	189.030029	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Cl+NaCOOH"	102.956829
"920958"	199.058786	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M-H+CF3COOH"	112.985586
"1295480"	235.035464	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Cl+CF3COOH"	148.962264
"1378016"	51.060524	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H-2H2O"	-35.012676
"1391138"	69.0705	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H-H2O"	-17.0027
"285357"	173.153676	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+H"	1.007276
"681058"	259.226876	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+H"	1.007276
"1366035"	87.080476	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H"	1.007276
"128843"	87.080476	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+2H"	2.014552
"568401"	130.117076	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+2H"	2.014552
"1043401"	44.043876	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2H"	2.014552
"209114"	58.3894093333333	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+3H"	3.021828
"646484"	87.080476	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+3H"	3.021828
"1168624"	29.6983426666667	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+3H"	3.021828
"431900"	190.180223	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+NH4"	18.033823
"801134"	276.253423	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+NH4"	18.033823
"1696170"	104.107023	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+NH4"	18.033823
"345135"	95.5937495	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+H+NH4"	19.041099
"737877"	138.6303495	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+H+NH4"	19.041099
"1492147"	52.5571495	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H+NH4"	19.041099
"407422"	195.135618	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+Na"	22.989218
"769751"	281.208818	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+Na"	22.989218
"1617366"	109.062418	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Na"	22.989218
"328864"	98.071447	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+H+Na"	23.996494
"720555"	141.108047	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+H+Na"	23.996494
"1476646"	55.034847	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H+Na"	23.996494
"1065791"	37.0256566666667	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2H+Na"	25.00377
"1272706"	119.106686	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+CH3OH+H"	33.033486
"392661"	211.109558	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+K"	38.963158
"753985"	297.182758	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+K"	38.963158
"1555228"	125.036358	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+K"	38.963158
"313896"	106.058417	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+H+K"	39.970434
"701607"	149.095017	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+H+K"	39.970434
"1456526"	63.021817	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H+K"	39.970434
"245128"	214.180226	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+ACN+H"	42.033826
"1224415"	128.107026	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+ACN+H"	42.033826
"1208302"	64.557151	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+ACN+2H"	43.041102
"200808"	217.11756	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+2Na-H"	44.97116
"641827"	303.19076	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+2Na-H"	44.97116
"1143872"	131.04436	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2Na-H"	44.97116
"184976"	109.062418	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+2Na"	45.978436
"625263"	152.099018	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+2Na"	45.978436
"1130230"	66.025818	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2Na"	45.978436
"1412660"	44.3529706666667	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H+2Na"	46.985712
"1443682"	133.085946	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H+HCOOH"	47.012746
"233739"	114.09544	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+3H2O+2H"	56.04448
"1521438"	147.13799	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+IsoProp+H"	61.06479
"422949"	117.049388	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+Na+K"	61.952376
"783943"	160.085988	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+Na+K"	61.952376
"1678452"	74.012788	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Na+K"	61.952376
"264241"	236.162168	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+ACN+Na"	64.015768
"1239136"	150.088968	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+ACN+Na"	64.015768
"1727779"	150.112493	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+NH4+HCOOH"	64.039293
"1193012"	51.6802846666667	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+3Na"	68.967654
"1663995"	155.067888	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Na+HCOOH"	68.994688
"170493"	249.06544	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+2K-H"	76.91904
"610419"	335.13864	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+2K-H"	76.91904
"1096753"	162.99224	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2K-H"	76.91904
"153209"	125.036358	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"2M+2K"	77.926316
"590582"	168.072958	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"3M+2K"	77.926316
"1078373"	81.999758	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2K"	77.926316
"1110490"	165.006792	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2K+H"	78.933592
"1344685"	165.094407	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+DMSO+H"	79.021207
"1014310"	169.133576	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2ACN+H"	83.060376
"1535715"	170.127208	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+IsoProp+Na+H"	84.054008
"1001073"	85.070426	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+2ACN+2H"	84.067652
"1597761"	171.041828	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+K+HCOOH"	84.968628
"1424514"	201.073338	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+H+CF3COOH"	115.000138
"1153707"	105.583701	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+3ACN+2H"	125.094202
"1701071"	218.099885	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+NH4+CF3COOH"	132.026685
"1636720"	223.05528	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+Na+CF3COOH"	136.98208
"1576746"	239.02922	"C07329"	"3-Methylbutanal;Isovaleraldehyde"	"C5H10O"	"86.0732"	"M+K+CF3COOH"	152.95602
"810393"	84.0575	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M"	0
"975180"	65.03911	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-H2O-H"	-19.01839
"64514"	55.0310573333333	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M-3H"	-3.021828
"503343"	83.050224	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M-3H"	-3.021828
"891720"	27.0118906666667	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-3H"	-3.021828
"9203"	83.050224	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M-2H"	-2.014552
"444392"	125.078974	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M-2H"	-2.014552
"822193"	41.021474	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-2H"	-2.014552
"89842"	167.107724	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M-H"	-1.007276
"533657"	251.165224	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M-H"	-1.007276
"911056"	83.050224	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-H"	-1.007276
"62318"	184.134271	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M-2H+NH4"	16.019271
"502545"	268.191771	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M-2H+NH4"	16.019271
"879895"	100.076771	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-2H+NH4"	16.019271
"47031"	189.089666	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M-2H+Na"	20.974666
"486954"	273.147166	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M-2H+Na"	20.974666
"863906"	105.032166	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-2H+Na"	20.974666
"1634137"	105.032166	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Na-2H"	20.974666
"109921"	101.038563	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M-H+Cl"	33.962126
"545460"	143.067313	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M-H+Cl"	33.962126
"941046"	59.009813	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-H+Cl"	33.962126
"279722"	203.084402	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+Cl"	34.969402
"673965"	287.141902	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+Cl"	34.969402
"1285643"	119.026902	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Cl"	34.969402
"28197"	205.063606	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M-2H+K"	36.948606
"462291"	289.121106	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M-2H+K"	36.948606
"838999"	121.006106	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-2H+K"	36.948606
"1560300"	121.006106	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+K-2H"	36.948606
"951462"	129.055694	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-H+HCOOH"	44.998194
"367492"	213.113201	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+HCOOH-H"	44.998201
"356844"	227.128851	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+Hac-H"	59.013851
"1503489"	143.071351	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Hac-H"	59.013851
"966657"	151.037651	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-H+NaCOOH"	66.980151
"115565"	119.026902	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+2Cl"	69.938804
"559499"	161.055652	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+2Cl"	69.938804
"1028300"	76.998152	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2Cl"	69.938804
"1253345"	162.976385	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Br"	78.918885
"1315794"	165.032372	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Cl+HCOOH"	80.974872
"1332197"	187.014329	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Cl+NaCOOH"	102.956829
"921068"	197.043086	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M-H+CF3COOH"	112.985586
"1295589"	233.019764	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Cl+CF3COOH"	148.962264
"1378126"	49.044824	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H-2H2O"	-35.012676
"1392341"	67.0548	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H-H2O"	-17.0027
"288746"	169.122276	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+H"	1.007276
"685541"	253.179776	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+H"	1.007276
"1365902"	85.064776	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H"	1.007276
"128589"	85.064776	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+2H"	2.014552
"568511"	127.093526	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+2H"	2.014552
"1042416"	43.036026	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2H"	2.014552
"206669"	57.0456093333333	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+3H"	3.021828
"646227"	85.064776	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+3H"	3.021828
"1169826"	29.0264426666667	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+3H"	3.021828
"427998"	186.148823	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+NH4"	18.033823
"799946"	270.206323	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+NH4"	18.033823
"1696399"	102.091323	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+NH4"	18.033823
"345284"	93.5780495	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+H+NH4"	19.041099
"736970"	135.6067995	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+H+NH4"	19.041099
"1489328"	51.5492995	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H+NH4"	19.041099
"407654"	191.104218	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+Na"	22.989218
"769657"	275.161718	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+Na"	22.989218
"1617476"	107.046718	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Na"	22.989218
"328487"	96.055747	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+H+Na"	23.996494
"720664"	138.084497	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+H+Na"	23.996494
"1476588"	54.026997	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H+Na"	23.996494
"1066265"	36.3537566666667	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2H+Na"	25.00377
"1272328"	117.090986	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+CH3OH+H"	33.033486
"392404"	207.078158	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+K"	38.963158
"753965"	291.135658	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+K"	38.963158
"1555485"	123.020658	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+K"	38.963158
"312576"	104.042717	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+H+K"	39.970434
"702810"	146.071467	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+H+K"	39.970434
"1454448"	62.013967	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H+K"	39.970434
"245238"	210.148826	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+ACN+H"	42.033826
"1225010"	126.091326	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+ACN+H"	42.033826
"1209814"	63.549301	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+ACN+2H"	43.041102
"200915"	213.08616	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+2Na-H"	44.97116
"642540"	297.14366	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+2Na-H"	44.97116
"1143251"	129.02866	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2Na-H"	44.97116
"185082"	107.046718	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+2Na"	45.978436
"624642"	149.075468	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+2Na"	45.978436
"1128879"	65.017968	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2Na"	45.978436
"1412770"	43.6810706666667	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H+2Na"	46.985712
"1443062"	131.070246	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H+HCOOH"	47.012746
"233121"	112.07974	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+3H2O+2H"	56.04448
"1521914"	145.12229	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+IsoProp+H"	61.06479
"422329"	115.033688	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+Na+K"	61.952376
"782596"	157.062438	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+Na+K"	61.952376
"1678563"	73.004938	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Na+K"	61.952376
"263260"	232.130768	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+ACN+Na"	64.015768
"1237426"	148.073268	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+ACN+Na"	64.015768
"1726307"	148.096793	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+NH4+HCOOH"	64.039293
"1193121"	51.0083846666667	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+3Na"	68.967654
"1664470"	153.052188	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Na+HCOOH"	68.994688
"171332"	245.03404	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+2K-H"	76.91904
"609437"	329.09154	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+2K-H"	76.91904
"1096863"	160.97654	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2K-H"	76.91904
"153319"	123.020658	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"2M+2K"	77.926316
"590692"	165.049408	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"3M+2K"	77.926316
"1080670"	80.991908	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2K"	77.926316
"1111693"	162.991092	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2K+H"	78.933592
"1344795"	163.078707	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+DMSO+H"	79.021207
"1017336"	167.117876	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2ACN+H"	83.060376
"1535825"	168.111508	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+IsoProp+Na+H"	84.054008
"1001183"	84.062576	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+2ACN+2H"	84.067652
"1597872"	169.026128	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+K+HCOOH"	84.968628
"1427176"	199.057638	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+H+CF3COOH"	115.000138
"1153817"	104.575851	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+3ACN+2H"	125.094202
"1701181"	216.084185	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+NH4+CF3COOH"	132.026685
"1635372"	221.03958	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+Na+CF3COOH"	136.98208
"1576856"	237.01352	"C07330"	"3-Methyl-2-butenal;3-Methylbut-2-enal;33-Dimethyl-acrylaldehyde;Senecialdehyde;Prenal"	"C5H8O"	"84.0575"	"M+K+CF3COOH"	152.95602
"810503"	59.967	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M"	0
"976383"	40.94861	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-H2O-H"	-19.01839
"63365"	38.970724	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M-3H"	-3.021828
"504184"	58.959724	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M-3H"	-3.021828
"880199"	18.981724	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-3H"	-3.021828
"6033"	58.959724	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M-2H"	-2.014552
"443408"	88.943224	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M-2H"	-2.014552
"822303"	28.976224	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-2H"	-2.014552
"91045"	118.926724	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M-H"	-1.007276
"533525"	178.893724	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M-H"	-1.007276
"910600"	58.959724	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-H"	-1.007276
"62307"	135.953271	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M-2H+NH4"	16.019271
"502488"	195.920271	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M-2H+NH4"	16.019271
"879679"	75.986271	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-2H+NH4"	16.019271
"46975"	140.908666	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M-2H+Na"	20.974666
"486861"	200.875666	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M-2H+Na"	20.974666
"863852"	80.941666	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-2H+Na"	20.974666
"1634038"	80.941666	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Na-2H"	20.974666
"109911"	76.948063	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M-H+Cl"	33.962126
"547393"	106.931563	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M-H+Cl"	33.962126
"939820"	46.964563	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-H+Cl"	33.962126
"280925"	154.903402	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+Cl"	34.969402
"674805"	214.870402	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+Cl"	34.969402
"1285751"	94.936402	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Cl"	34.969402
"21747"	156.882606	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M-2H+K"	36.948606
"462401"	216.849606	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M-2H+K"	36.948606
"839109"	96.915606	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-2H+K"	36.948606
"1564783"	96.915606	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+K-2H"	36.948606
"953759"	104.965194	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-H+HCOOH"	44.998194
"370882"	164.932201	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+HCOOH-H"	44.998201
"358047"	178.947851	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+Hac-H"	59.013851
"1503599"	118.980851	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Hac-H"	59.013851
"966767"	126.947151	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-H+NaCOOH"	66.980151
"112759"	94.936402	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+2Cl"	69.938804
"556329"	124.919902	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+2Cl"	69.938804
"1031690"	64.952902	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2Cl"	69.938804
"1254548"	138.885885	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Br"	78.918885
"1316998"	140.941872	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Cl+HCOOH"	80.974872
"1332307"	162.923829	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Cl+NaCOOH"	102.956829
"921178"	172.952586	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M-H+CF3COOH"	112.985586
"1295699"	208.929264	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Cl+CF3COOH"	148.962264
"1376050"	24.954324	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H-2H2O"	-35.012676
"1389171"	42.9643	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H-H2O"	-17.0027
"288856"	120.941276	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+H"	1.007276
"684558"	180.908276	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+H"	1.007276
"1364189"	60.974276	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H"	1.007276
"128334"	60.974276	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+2H"	2.014552
"568620"	90.957776	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+2H"	2.014552
"1041433"	30.990776	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2H"	2.014552
"208602"	40.985276	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+3H"	3.021828
"646701"	60.974276	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+3H"	3.021828
"1169207"	20.996276	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+3H"	3.021828
"428472"	137.967823	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+NH4"	18.033823
"800418"	197.934823	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+NH4"	18.033823
"1695292"	78.000823	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+NH4"	18.033823
"343566"	69.4875495	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+H+NH4"	19.041099
"737080"	99.4710495	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+H+NH4"	19.041099
"1489438"	39.5040495	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H+NH4"	19.041099
"405567"	142.923218	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+Na"	22.989218
"768023"	202.890218	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+Na"	22.989218
"1617586"	82.956218	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Na"	22.989218
"329079"	71.965247	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+H+Na"	23.996494
"721625"	101.948747	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+H+Na"	23.996494
"1476984"	41.981747	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H+Na"	23.996494
"1066375"	28.32359	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2H+Na"	25.00377
"1272196"	93.000486	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+CH3OH+H"	33.033486
"392674"	158.897158	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+K"	38.963158
"753826"	218.864158	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+K"	38.963158
"1554541"	98.930158	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+K"	38.963158
"312322"	79.952217	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+H+K"	39.970434
"702920"	109.935717	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+H+K"	39.970434
"1460393"	49.968717	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H+K"	39.970434
"244256"	161.967826	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+ACN+H"	42.033826
"1224392"	102.000826	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+ACN+H"	42.033826
"1209489"	51.504051	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+ACN+2H"	43.041102
"201025"	164.90516	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+2Na-H"	44.97116
"642044"	224.87216	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+2Na-H"	44.97116
"1145183"	104.93816	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2Na-H"	44.97116
"185925"	82.956218	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+2Na"	45.978436
"626940"	112.939718	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+2Na"	45.978436
"1129353"	52.972718	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2Na"	45.978436
"1413607"	35.650904	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H+2Na"	46.985712
"1444754"	106.979746	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H+HCOOH"	47.012746
"232139"	87.98924	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+3H2O+2H"	56.04448
"1523765"	121.03179	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+IsoProp+H"	61.06479
"422803"	90.943188	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+Na+K"	61.952376
"783797"	120.926688	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+Na+K"	61.952376
"1680132"	60.959688	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Na+K"	61.952376
"263005"	183.949768	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+ACN+Na"	64.015768
"1237537"	123.982768	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+ACN+Na"	64.015768
"1726419"	124.006293	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+NH4+HCOOH"	64.039293
"1191775"	42.978218	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+3Na"	68.967654
"1664581"	128.961688	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Na+HCOOH"	68.994688
"171443"	196.85304	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+2K-H"	76.91904
"610641"	256.82004	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+2K-H"	76.91904
"1098066"	136.88604	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2K-H"	76.91904
"153429"	98.930158	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"2M+2K"	77.926316
"591895"	128.913658	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"3M+2K"	77.926316
"1079687"	68.946658	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2K"	77.926316
"1111803"	138.900592	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2K+H"	78.933592
"1347091"	138.988207	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+DMSO+H"	79.021207
"1017810"	143.027376	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2ACN+H"	83.060376
"1535935"	144.021008	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+IsoProp+Na+H"	84.054008
"1002386"	72.017326	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+2ACN+2H"	84.067652
"1600168"	144.935628	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+K+HCOOH"	84.968628
"1428014"	174.967138	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+H+CF3COOH"	115.000138
"1153927"	92.530601	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+3ACN+2H"	125.094202
"1701291"	191.993685	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+NH4+CF3COOH"	132.026685
"1635847"	196.94908	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+Na+CF3COOH"	136.98208
"1576966"	212.92302	"C07331"	"Carbonyl sulfide"	"COS"	"59.967"	"M+K+CF3COOH"	152.95602
"810613"	298.1205	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M"	0
"978680"	279.10211	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-H2O-H"	-19.01839
"68012"	197.739724	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M-3H"	-3.021828
"506480"	297.113224	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M-3H"	-3.021828
"883189"	98.366224	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-3H"	-3.021828
"9423"	297.113224	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M-2H"	-2.014552
"442425"	446.173474	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M-2H"	-2.014552
"822413"	148.052974	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-2H"	-2.014552
"91155"	595.233724	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M-H"	-1.007276
"533271"	893.354224	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M-H"	-1.007276
"910833"	297.113224	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-H"	-1.007276
"62416"	612.260271	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M-2H+NH4"	16.019271
"501988"	910.380771	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M-2H+NH4"	16.019271
"878695"	314.139771	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-2H+NH4"	16.019271
"46233"	617.215666	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M-2H+Na"	20.974666
"486643"	915.336166	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M-2H+Na"	20.974666
"863470"	319.095166	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-2H+Na"	20.974666
"1631780"	319.095166	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Na-2H"	20.974666
"109164"	315.101563	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M-H+Cl"	33.962126
"547868"	464.161813	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M-H+Cl"	33.962126
"940174"	166.041313	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-H+Cl"	33.962126
"280795"	631.210402	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+Cl"	34.969402
"673702"	929.330902	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+Cl"	34.969402
"1284768"	333.089902	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Cl"	34.969402
"24044"	633.189606	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M-2H+K"	36.948606
"464698"	931.310106	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M-2H+K"	36.948606
"840312"	335.069106	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-2H+K"	36.948606
"1564893"	335.069106	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+K-2H"	36.948606
"948402"	343.118694	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-H+HCOOH"	44.998194
"369898"	641.239201	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+HCOOH-H"	44.998201
"350502"	655.254851	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+Hac-H"	59.013851
"1500429"	357.134351	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Hac-H"	59.013851
"963597"	365.100651	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-H+NaCOOH"	66.980151
"111772"	333.089902	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+2Cl"	69.938804
"552062"	482.150152	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+2Cl"	69.938804
"1023535"	184.029652	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2Cl"	69.938804
"1244813"	377.039385	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Br"	78.918885
"1316014"	379.095372	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Cl+HCOOH"	80.974872
"1325857"	401.077329	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Cl+NaCOOH"	102.956829
"921288"	411.106086	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M-H+CF3COOH"	112.985586
"1293622"	447.082764	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Cl+CF3COOH"	148.962264
"1375066"	263.107824	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H-2H2O"	-35.012676
"1392561"	281.1178	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H-H2O"	-17.0027
"288966"	597.248276	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+H"	1.007276
"686855"	895.368776	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+H"	1.007276
"1364299"	299.127776	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H"	1.007276
"128076"	299.127776	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+2H"	2.014552
"569094"	448.188026	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+2H"	2.014552
"1041905"	150.067526	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2H"	2.014552
"207981"	199.754276	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+3H"	3.021828
"647540"	299.127776	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+3H"	3.021828
"1168953"	100.380776	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+3H"	3.021828
"428582"	614.274823	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+NH4"	18.033823
"799440"	912.395323	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+NH4"	18.033823
"1695767"	316.154323	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+NH4"	18.033823
"343191"	307.6410495	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+H+NH4"	19.041099
"735732"	456.7012995	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+H+NH4"	19.041099
"1488455"	158.5807995	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H+NH4"	19.041099
"405677"	619.230218	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+Na"	22.989218
"764849"	917.350718	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+Na"	22.989218
"1617334"	321.109718	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Na"	22.989218
"328094"	310.118747	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+H+Na"	23.996494
"719427"	459.178997	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+H+Na"	23.996494
"1475190"	161.058497	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H+Na"	23.996494
"1062474"	107.70809	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2H+Na"	25.00377
"1271212"	331.153986	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+CH3OH+H"	33.033486
"390636"	635.204158	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+K"	38.963158
"752844"	933.324658	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+K"	38.963158
"1553434"	337.083658	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+K"	38.963158
"312313"	318.105717	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+H+K"	39.970434
"704488"	467.165967	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+H+K"	39.970434
"1456127"	169.045467	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H+K"	39.970434
"244002"	638.274826	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+ACN+H"	42.033826
"1223651"	340.154326	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+ACN+H"	42.033826
"1209355"	170.580801	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+ACN+2H"	43.041102
"202229"	641.21216	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+2Na-H"	44.97116
"643124"	939.33266	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+2Na-H"	44.97116
"1144203"	343.09166	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2Na-H"	44.97116
"185665"	321.109718	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+2Na"	45.978436
"625226"	470.169968	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+2Na"	45.978436
"1128735"	172.049468	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2Na"	45.978436
"1411891"	115.035404	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H+2Na"	46.985712
"1442182"	345.133246	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H+HCOOH"	47.012746
"233702"	326.14274	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+3H2O+2H"	56.04448
"1521766"	359.18529	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+IsoProp+H"	61.06479
"420722"	329.096688	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+Na+K"	61.952376
"782447"	478.156938	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+Na+K"	61.952376
"1677684"	180.036438	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Na+K"	61.952376
"265665"	660.256768	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+ACN+Na"	64.015768
"1238737"	362.136268	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+ACN+Na"	64.015768
"1726894"	362.159793	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+NH4+HCOOH"	64.039293
"1192247"	122.362718	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+3Na"	68.967654
"1664691"	367.115188	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Na+HCOOH"	68.994688
"172036"	673.16004	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+2K-H"	76.91904
"609292"	971.28054	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+2K-H"	76.91904
"1098784"	375.03954	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2K-H"	76.91904
"152444"	337.083658	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"2M+2K"	77.926316
"592004"	486.143908	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"3M+2K"	77.926316
"1080890"	188.023408	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2K"	77.926316
"1113005"	377.054092	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2K+H"	78.933592
"1347201"	377.141707	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+DMSO+H"	79.021207
"1017920"	381.180876	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2ACN+H"	83.060376
"1536045"	382.174508	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+IsoProp+Na+H"	84.054008
"1003589"	191.094076	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+2ACN+2H"	84.067652
"1601371"	383.089128	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+K+HCOOH"	84.968628
"1425937"	413.120638	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+H+CF3COOH"	115.000138
"1154037"	211.607351	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+3ACN+2H"	125.094202
"1701401"	430.147185	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+NH4+CF3COOH"	132.026685
"1635958"	435.10258	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+Na+CF3COOH"	136.98208
"1577076"	451.07652	"C07332"	"Dibenzylsuccinate"	"C18H18O4"	"298.1205"	"M+K+CF3COOH"	152.95602
"807443"	401.1045	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M"	0
"980977"	382.08611	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-H2O-H"	-19.01839
"70313"	266.395724	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M-3H"	-3.021828
"503675"	400.097224	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M-3H"	-3.021828
"880748"	132.694224	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-3H"	-3.021828
"9533"	400.097224	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M-2H"	-2.014552
"451283"	600.649474	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M-2H"	-2.014552
"822523"	199.544974	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-2H"	-2.014552
"84703"	801.201724	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M-H"	-1.007276
"533379"	1202.306224	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M-H"	-1.007276
"911189"	400.097224	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-H"	-1.007276
"62405"	818.228271	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M-2H+NH4"	16.019271
"498940"	1219.332771	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M-2H+NH4"	16.019271
"878924"	417.123771	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-2H+NH4"	16.019271
"46416"	823.183666	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M-2H+Na"	20.974666
"486017"	1224.288166	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M-2H+Na"	20.974666
"861268"	422.079166	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-2H+Na"	20.974666
"1632620"	422.079166	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Na-2H"	20.974666
"105141"	418.085563	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M-H+Cl"	33.962126
"548342"	618.637813	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M-H+Cl"	33.962126
"941129"	217.533313	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-H+Cl"	33.962126
"281751"	837.178402	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+Cl"	34.969402
"668098"	1238.282902	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+Cl"	34.969402
"1281594"	436.073902	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Cl"	34.969402
"21967"	839.157606	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M-2H+K"	36.948606
"462621"	1240.262106	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M-2H+K"	36.948606
"839329"	438.053106	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-2H+K"	36.948606
"1565002"	438.053106	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+K-2H"	36.948606
"948512"	446.102694	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-H+HCOOH"	44.998194
"365633"	847.207201	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+HCOOH-H"	44.998201
"349519"	861.222851	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+Hac-H"	59.013851
"1495071"	460.118351	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Hac-H"	59.013851
"960060"	468.084651	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-H+NaCOOH"	66.980151
"110081"	436.073902	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+2Cl"	69.938804
"550143"	636.626152	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+2Cl"	69.938804
"1023158"	235.521652	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2Cl"	69.938804
"1242736"	480.023385	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Br"	78.918885
"1315031"	482.079372	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Cl+HCOOH"	80.974872
"1329247"	504.061329	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Cl+NaCOOH"	102.956829
"918118"	514.090086	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M-H+CF3COOH"	112.985586
"1295919"	550.066764	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Cl+CF3COOH"	148.962264
"1375176"	366.091824	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H-2H2O"	-35.012676
"1391578"	384.1018	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H-H2O"	-17.0027
"289076"	803.216276	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+H"	1.007276
"686965"	1204.320776	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+H"	1.007276
"1362224"	402.111776	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H"	1.007276
"127827"	402.111776	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+2H"	2.014552
"569572"	602.664026	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+2H"	2.014552
"1038004"	201.559526	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2H"	2.014552
"205540"	268.410276	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+3H"	3.021828
"648747"	402.111776	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+3H"	3.021828
"1170520"	134.708776	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+3H"	3.021828
"428692"	820.242823	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+NH4"	18.033823
"799185"	1221.347323	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+NH4"	18.033823
"1695876"	419.138323	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+NH4"	18.033823
"344151"	410.6250495	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+H+NH4"	19.041099
"736571"	611.1772995	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+H+NH4"	19.041099
"1488565"	210.0727995	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H+NH4"	19.041099
"405058"	825.198218	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+Na"	22.989218
"763866"	1226.302718	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+Na"	22.989218
"1617932"	424.093718	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Na"	22.989218
"328568"	413.102747	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+H+Na"	23.996494
"720630"	613.654997	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+H+Na"	23.996494
"1475062"	212.550497	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H+Na"	23.996494
"1065504"	142.03609	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2H+Na"	25.00377
"1271446"	434.137986	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+CH3OH+H"	33.033486
"391355"	841.172158	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+K"	38.963158
"751861"	1242.276658	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+K"	38.963158
"1554520"	440.067658	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+K"	38.963158
"312908"	421.089717	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+H+K"	39.970434
"704962"	621.641967	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+H+K"	39.970434
"1456966"	220.537467	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H+K"	39.970434
"244476"	844.242826	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+ACN+H"	42.033826
"1224364"	443.138326	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+ACN+H"	42.033826
"1207886"	222.072801	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+ACN+2H"	43.041102
"200513"	847.18016	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+2Na-H"	44.97116
"637888"	1248.28466	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+2Na-H"	44.97116
"1141395"	446.07566	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2Na-H"	44.97116
"184317"	424.093718	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+2Na"	45.978436
"623149"	624.645968	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+2Na"	45.978436
"1125926"	223.541468	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2Na"	45.978436
"1410179"	149.363404	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H+2Na"	46.985712
"1442289"	448.117246	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H+HCOOH"	47.012746
"231623"	429.12674	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+3H2O+2H"	56.04448
"1521145"	462.16929	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+IsoProp+H"	61.06479
"419736"	432.080688	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+Na+K"	61.952376
"782191"	632.632938	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+Na+K"	61.952376
"1678157"	231.528438	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Na+K"	61.952376
"261395"	866.224768	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+ACN+Na"	64.015768
"1237749"	465.120268	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+ACN+Na"	64.015768
"1725178"	465.143793	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+NH4+HCOOH"	64.039293
"1190532"	156.690718	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+3Na"	68.967654
"1663706"	470.099188	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Na+HCOOH"	68.994688
"170809"	879.12804	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+2K-H"	76.91904
"601381"	1280.23254	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+2K-H"	76.91904
"1095734"	478.02354	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2K-H"	76.91904
"151457"	440.067658	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"2M+2K"	77.926316
"592114"	640.619908	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"3M+2K"	77.926316
"1077718"	239.515408	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2K"	77.926316
"1110927"	480.038092	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2K+H"	78.933592
"1344031"	480.125707	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+DMSO+H"	79.021207
"1011466"	484.164876	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2ACN+H"	83.060376
"1532875"	485.158508	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+IsoProp+Na+H"	84.054008
"1001511"	242.586076	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+2ACN+2H"	84.067652
"1596014"	486.073128	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+K+HCOOH"	84.968628
"1424954"	516.104638	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+H+CF3COOH"	115.000138
"1154147"	263.099351	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+3ACN+2H"	125.094202
"1704791"	533.131185	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+NH4+CF3COOH"	132.026685
"1639349"	538.08658	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+Na+CF3COOH"	136.98208
"1577186"	554.06052	"C07334"	"Oxacillin"	"C19H19N3O5S"	"401.1045"	"M+K+CF3COOH"	152.95602
"807553"	213.0038	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M"	0
"981087"	193.98541	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-H2O-H"	-19.01839
"67143"	140.995257333333	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M-3H"	-3.021828
"504513"	211.996524	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M-3H"	-3.021828
"880979"	69.9939906666667	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-3H"	-3.021828
"13653"	211.996524	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M-2H"	-2.014552
"447019"	318.498424	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M-2H"	-2.014552
"821540"	105.494624	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-2H"	-2.014552
"84813"	425.000324	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M-H"	-1.007276
"533126"	638.004124	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M-H"	-1.007276
"911289"	211.996524	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-H"	-1.007276
"62763"	442.026871	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M-2H+NH4"	16.019271
"501477"	655.030671	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M-2H+NH4"	16.019271
"879790"	229.023071	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-2H+NH4"	16.019271
"46083"	446.982266	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M-2H+Na"	20.974666
"486612"	659.986066	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M-2H+Na"	20.974666
"862350"	233.978466	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-2H+Na"	20.974666
"1633463"	233.978466	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Na-2H"	20.974666
"108411"	229.984863	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M-H+Cl"	33.962126
"549544"	336.486763	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M-H+Cl"	33.962126
"941967"	123.482963	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-H+Cl"	33.962126
"281862"	460.977002	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+Cl"	34.969402
"673675"	673.980802	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+Cl"	34.969402
"1284984"	247.973202	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Cl"	34.969402
"22077"	462.956206	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M-2H+K"	36.948606
"468198"	675.960006	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M-2H+K"	36.948606
"837252"	249.952406	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-2H+K"	36.948606
"1561832"	249.952406	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+K-2H"	36.948606
"950809"	258.001994	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-H+HCOOH"	44.998194
"364650"	471.005801	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+HCOOH-H"	44.998201
"350722"	485.021451	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+Hac-H"	59.013851
"1496638"	272.017651	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Hac-H"	59.013851
"960899"	279.983951	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-H+NaCOOH"	66.980151
"110529"	247.973202	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+2Cl"	69.938804
"550573"	354.475102	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+2Cl"	69.938804
"1022904"	141.471302	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2Cl"	69.938804
"1242358"	291.922685	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Br"	78.918885
"1316234"	293.978672	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Cl+HCOOH"	80.974872
"1332637"	315.960629	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Cl+NaCOOH"	102.956829
"918228"	325.989386	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M-H+CF3COOH"	112.985586
"1296029"	361.966064	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Cl+CF3COOH"	148.962264
"1373099"	177.991124	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H-2H2O"	-35.012676
"1389501"	196.0011	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H-H2O"	-17.0027
"285906"	427.014876	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+H"	1.007276
"685982"	640.018676	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+H"	1.007276
"1362330"	214.011076	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H"	1.007276
"131216"	214.011076	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+2H"	2.014552
"568223"	320.512976	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+2H"	2.014552
"1038479"	107.509176	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2H"	2.014552
"205041"	143.009809333333	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+3H"	3.021828
"645941"	214.011076	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+3H"	3.021828
"1170994"	72.0085426666667	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+3H"	3.021828
"425154"	444.041423	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+NH4"	18.033823
"800265"	657.045223	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+NH4"	18.033823
"1695986"	231.037623	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+NH4"	18.033823
"344259"	222.5243495	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+H+NH4"	19.041099
"737408"	329.0262495	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+H+NH4"	19.041099
"1488675"	116.0224495	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H+NH4"	19.041099
"400794"	448.996818	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+Na"	22.989218
"766163"	662.000618	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+Na"	22.989218
"1618122"	235.993018	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Na"	22.989218
"329042"	225.002047	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+H+Na"	23.996494
"721953"	331.503947	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+H+Na"	23.996494
"1476426"	118.500147	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H+Na"	23.996494
"1065614"	79.3358566666667	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2H+Na"	25.00377
"1272404"	246.037286	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+CH3OH+H"	33.033486
"392315"	464.970758	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+K"	38.963158
"754172"	677.974558	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+K"	38.963158
"1555425"	251.966958	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+K"	38.963158
"313747"	232.989017	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+H+K"	39.970434
"705072"	339.490917	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+H+K"	39.970434
"1457075"	126.487117	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H+K"	39.970434
"244586"	468.041426	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+ACN+H"	42.033826
"1224595"	255.037626	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+ACN+H"	42.033826
"1208720"	128.022451	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+ACN+2H"	43.041102
"200625"	470.97876	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+2Na-H"	44.97116
"640914"	683.98256	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+2Na-H"	44.97116
"1142599"	257.97496	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2Na-H"	44.97116
"185036"	235.993018	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+2Na"	45.978436
"625081"	342.494918	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+2Na"	45.978436
"1126400"	129.491118	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2Na"	45.978436
"1409193"	86.6631706666667	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H+2Na"	46.985712
"1441306"	260.016546	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H+HCOOH"	47.012746
"232098"	241.02604	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+3H2O+2H"	56.04448
"1521255"	274.06859	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+IsoProp+H"	61.06479
"422398"	243.979988	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+Na+K"	61.952376
"784489"	350.481888	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+Na+K"	61.952376
"1679726"	137.478088	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Na+K"	61.952376
"264786"	490.023368	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+ACN+Na"	64.015768
"1240046"	277.019568	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+ACN+Na"	64.015768
"1725288"	277.043093	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+NH4+HCOOH"	64.039293
"1190642"	93.9904846666667	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+3Na"	68.967654
"1664666"	281.998488	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Na+HCOOH"	68.994688
"172013"	502.92664	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+2K-H"	76.91904
"606959"	715.93044	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+2K-H"	76.91904
"1098031"	289.92284	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2K-H"	76.91904
"150474"	251.966958	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"2M+2K"	77.926316
"592224"	358.468858	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"3M+2K"	77.926316
"1078921"	145.465058	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2K"	77.926316
"1111037"	291.937392	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2K+H"	78.933592
"1347421"	292.025007	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+DMSO+H"	79.021207
"1010483"	296.064176	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2ACN+H"	83.060376
"1536265"	297.057808	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+IsoProp+Na+H"	84.054008
"1001621"	148.535726	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+2ACN+2H"	84.067652
"1598311"	297.972428	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+K+HCOOH"	84.968628
"1426157"	328.003938	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+H+CF3COOH"	115.000138
"1154257"	169.049001	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+3ACN+2H"	125.094202
"1704901"	345.030485	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+NH4+CF3COOH"	132.026685
"1639459"	349.98588	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+Na+CF3COOH"	136.98208
"1577296"	365.95982	"C07335"	"2-Amino-3-oxo-4-phosphonooxybutyrate;L-2-Amino-3-oxo-4-phosphonooxybutyrate;(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate"	"C4H8NO7P"	"213.0038"	"M+K+CF3COOH"	152.95602
"816877"	386.0268	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M"	0
"987759"	367.00841	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-H2O-H"	-19.01839
"67254"	256.343924	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M-3H"	-3.021828
"506813"	385.019524	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M-3H"	-3.021828
"892270"	127.668324	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-3H"	-3.021828
"13033"	385.019524	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M-2H"	-2.014552
"446036"	578.032924	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M-2H"	-2.014552
"826026"	192.006124	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-2H"	-2.014552
"93431"	771.046324	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M-H"	-1.007276
"533114"	1157.073124	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M-H"	-1.007276
"911208"	385.019524	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-H"	-1.007276
"62836"	788.072871	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M-2H+NH4"	16.019271
"501707"	1174.099671	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M-2H+NH4"	16.019271
"878293"	402.046071	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-2H+NH4"	16.019271
"46191"	793.028266	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M-2H+Na"	20.974666
"486684"	1179.055066	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M-2H+Na"	20.974666
"862581"	407.001466	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-2H+Na"	20.974666
"1633203"	407.001466	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Na-2H"	20.974666
"108278"	403.007863	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M-H+Cl"	33.962126
"546018"	596.021263	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M-H+Cl"	33.962126
"939167"	209.994463	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-H+Cl"	33.962126
"279180"	807.023002	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+Cl"	34.969402
"673787"	1193.049802	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+Cl"	34.969402
"1284005"	420.996202	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Cl"	34.969402
"22188"	809.002206	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M-2H+K"	36.948606
"466121"	1195.029006	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M-2H+K"	36.948606
"840642"	422.975406	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-2H+K"	36.948606
"1560849"	422.975406	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+K-2H"	36.948606
"953835"	431.024994	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-H+HCOOH"	44.998194
"369135"	817.051801	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+HCOOH-H"	44.998201
"350832"	831.067451	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+Hac-H"	59.013851
"1494561"	445.040651	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Hac-H"	59.013851
"964655"	453.006951	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-H+NaCOOH"	66.980151
"113197"	420.996202	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+2Cl"	69.938804
"552392"	614.009602	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+2Cl"	69.938804
"1024473"	227.982802	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2Cl"	69.938804
"1242104"	464.945685	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Br"	78.918885
"1319886"	467.001672	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Cl+HCOOH"	80.974872
"1332747"	488.983629	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Cl+NaCOOH"	102.956829
"922713"	499.012386	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M-H+CF3COOH"	112.985586
"1297234"	534.989064	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Cl+CF3COOH"	148.962264
"1378676"	351.014124	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H-2H2O"	-35.012676
"1392892"	369.0241	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H-H2O"	-17.0027
"286382"	773.060876	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+H"	1.007276
"678073"	1159.087676	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+H"	1.007276
"1359161"	387.034076	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H"	1.007276
"131325"	387.034076	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+2H"	2.014552
"573802"	580.047476	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+2H"	2.014552
"1040779"	194.020676	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2H"	2.014552
"208680"	258.358476	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+3H"	3.021828
"647145"	387.034076	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+3H"	3.021828
"1171472"	129.682876	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+3H"	3.021828
"430373"	790.087423	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+NH4"	18.033823
"800131"	1176.114223	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+NH4"	18.033823
"1694637"	404.060623	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+NH4"	18.033823
"345106"	395.5473495	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+H+NH4"	19.041099
"737768"	588.5607495	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+H+NH4"	19.041099
"1492317"	202.5339495	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H+NH4"	19.041099
"407954"	795.042818	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+Na"	22.989218
"768343"	1181.069618	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+Na"	22.989218
"1617658"	409.016018	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Na"	22.989218
"328668"	398.025047	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+H+Na"	23.996494
"722184"	591.038447	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+H+Na"	23.996494
"1476610"	205.011647	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H+Na"	23.996494
"1067425"	137.01019	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2H+Na"	25.00377
"1269222"	419.060286	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+CH3OH+H"	33.033486
"389983"	811.016758	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+K"	38.963158
"754222"	1197.043558	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+K"	38.963158
"1555230"	424.989958	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+K"	38.963158
"314175"	406.012017	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+H+K"	39.970434
"707082"	599.025417	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+H+K"	39.970434
"1452809"	212.998617	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H+K"	39.970434
"244696"	814.087426	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+ACN+H"	42.033826
"1224340"	428.060626	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+ACN+H"	42.033826
"1208709"	214.533951	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+ACN+2H"	43.041102
"202193"	817.02476	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+2Na-H"	44.97116
"641391"	1203.05156	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+2Na-H"	44.97116
"1143074"	430.99796	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2Na-H"	44.97116
"184539"	409.016018	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+2Na"	45.978436
"624463"	602.029418	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+2Na"	45.978436
"1127970"	216.002618	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2Na"	45.978436
"1409305"	144.337504	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H+2Na"	46.985712
"1442512"	433.039546	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H+HCOOH"	47.012746
"231120"	414.04904	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+3H2O+2H"	56.04448
"1523067"	447.09159	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+IsoProp+H"	61.06479
"423121"	417.002988	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+Na+K"	61.952376
"783509"	610.016388	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+Na+K"	61.952376
"1679598"	223.989588	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Na+K"	61.952376
"265262"	836.069368	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+ACN+Na"	64.015768
"1238699"	450.042568	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+ACN+Na"	64.015768
"1726492"	450.066093	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+NH4+HCOOH"	64.039293
"1193672"	151.664818	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+3Na"	68.967654
"1664775"	455.021488	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Na+HCOOH"	68.994688
"170788"	848.97264	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+2K-H"	76.91904
"604882"	1234.99944	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+2K-H"	76.91904
"1097047"	462.94584	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2K-H"	76.91904
"146210"	424.989958	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"2M+2K"	77.926316
"586862"	618.003358	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"3M+2K"	77.926316
"1077937"	231.976558	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2K"	77.926316
"1111147"	464.960392	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2K+H"	78.933592
"1343157"	465.048007	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+DMSO+H"	79.021207
"1016061"	469.087176	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2ACN+H"	83.060376
"1533093"	470.080808	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+IsoProp+Na+H"	84.054008
"998450"	235.047226	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+2ACN+2H"	84.067652
"1597325"	470.995428	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+K+HCOOH"	84.968628
"1424079"	501.026938	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+H+CF3COOH"	115.000138
"1157647"	255.560501	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+3ACN+2H"	125.094202
"1708291"	518.053485	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+NH4+CF3COOH"	132.026685
"1645036"	523.00888	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+Na+CF3COOH"	136.98208
"1577406"	538.98282	"C07336"	"Quazepam"	"C17H11ClF4N2S"	"386.0268"	"M+K+CF3COOH"	152.95602
"811053"	312.2301	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M"	0
"978027"	293.21171	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"67363"	207.146124	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"504736"	311.222824	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"892016"	103.069424	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"14968"	311.222824	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"446146"	467.337874	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"822854"	155.107774	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"88316"	623.452924	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"531156"	935.683024	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"911235"	311.222824	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"57867"	640.479471	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"502062"	952.709571	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"879014"	328.249371	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"46837"	645.434866	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"486926"	957.664966	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"864183"	333.204766	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1633312"	333.204766	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"107655"	329.211163	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"547211"	485.326213	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"942645"	173.096113	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"280748"	659.429602	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"672803"	971.659702	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1286301"	347.199502	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"27765"	661.408806	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"469511"	973.638906	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"840752"	349.178706	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1564239"	349.178706	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"953216"	357.228294	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"371432"	669.458401	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"353129"	683.474051	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1493942"	371.243951	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"964037"	379.210251	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"112578"	347.199502	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"551773"	503.314552	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1023855"	191.084452	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1241413"	391.148985	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1318278"	393.204972	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1331764"	415.186929	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"917356"	425.215686	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1296251"	461.192364	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1376600"	277.217424	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1383161"	295.2274	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"286128"	625.467476	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"680735"	937.697576	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1358177"	313.237376	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"129248"	313.237376	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"571724"	469.352426	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1041253"	157.122326	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"208790"	209.160676	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"644860"	313.237376	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1173768"	105.083976	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"430483"	642.494023	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"795852"	954.724123	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1696207"	330.263923	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"345468"	321.7506495	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"738129"	477.8656995	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1492264"	165.6355995	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"407581"	647.449418	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"769266"	959.679518	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1618011"	335.219318	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"329268"	324.228347	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"722049"	480.343397	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1476686"	168.113297	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1067980"	112.41129	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1268968"	345.263586	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"389365"	663.423358	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"748900"	975.653458	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1554970"	351.193258	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"314252"	332.215317	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"706799"	488.330367	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1456199"	176.100267	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"245900"	666.494026	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1223726"	354.263926	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1208704"	177.635601	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"203033"	669.43136	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"641500"	981.66146	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1145370"	357.20126	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"187932"	335.219318	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"627495"	491.334368	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1129788"	179.104268	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1411604"	119.738604	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1444085"	359.242846	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"233781"	340.25234	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1522938"	373.29489	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"423718"	343.206288	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"784713"	499.321338	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1680317"	187.091238	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"266999"	688.475968	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1240762"	376.245868	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1728307"	376.269393	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1194073"	127.065918	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1663669"	381.224788	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"172532"	701.37924	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"610459"	1013.60934	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1097156"	389.14914	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"148511"	351.193258	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"594630"	507.308308	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1082423"	195.078208	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1112351"	391.163692	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1346548"	391.251307	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1017267"	395.290476	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1534298"	396.284108	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"1002936"	198.148876	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1602543"	397.198728	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1428200"	427.230238	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1157757"	218.662151	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1705121"	444.256785	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1646239"	449.21218	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1574236"	465.18612	"C07338"	"(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoic acid;(9Z12Z)-(11S)-11-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"811163"	399.2077	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M"	0
"978137"	380.18931	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-H2O-H"	-19.01839
"68566"	265.131190666667	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M-3H"	-3.021828
"505937"	398.200424	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M-3H"	-3.021828
"881915"	132.061957333333	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-3H"	-3.021828
"13253"	398.200424	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M-2H"	-2.014552
"448443"	597.804274	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M-2H"	-2.014552
"822964"	198.596574	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-2H"	-2.014552
"86237"	797.408124	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M-H"	-1.007276
"529079"	1196.615824	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M-H"	-1.007276
"905790"	398.200424	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-H"	-1.007276
"60651"	814.434671	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M-2H+NH4"	16.019271
"502531"	1213.642371	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M-2H+NH4"	16.019271
"879600"	415.226971	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-2H+NH4"	16.019271
"47028"	819.390066	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M-2H+Na"	20.974666
"486905"	1218.597766	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M-2H+Na"	20.974666
"863943"	420.182366	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-2H+Na"	20.974666
"1633670"	420.182366	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Na-2H"	20.974666
"107765"	416.188763	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M-H+Cl"	33.962126
"545134"	615.792613	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M-H+Cl"	33.962126
"940844"	216.584913	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-H+Cl"	33.962126
"279764"	833.384802	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+Cl"	34.969402
"673642"	1232.592502	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+Cl"	34.969402
"1287260"	434.177102	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Cl"	34.969402
"24596"	835.364006	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M-2H+K"	36.948606
"468528"	1234.571706	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M-2H+K"	36.948606
"844141"	436.156306	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-2H+K"	36.948606
"1557789"	436.156306	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+K-2H"	36.948606
"948951"	444.205894	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-H+HCOOH"	44.998194
"370449"	843.413601	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+HCOOH-H"	44.998201
"355427"	857.429251	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+Hac-H"	59.013851
"1494052"	458.221551	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Hac-H"	59.013851
"964147"	466.187851	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-H+NaCOOH"	66.980151
"111230"	434.177102	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+2Cl"	69.938804
"551154"	633.780952	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+2Cl"	69.938804
"1025788"	234.573252	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2Cl"	69.938804
"1241718"	478.126585	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Br"	78.918885
"1317295"	480.182572	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Cl+HCOOH"	80.974872
"1331874"	502.164529	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Cl+NaCOOH"	102.956829
"918560"	512.193286	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M-H+CF3COOH"	112.985586
"1296361"	548.169964	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Cl+CF3COOH"	148.962264
"1377803"	364.195024	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H-2H2O"	-35.012676
"1384364"	382.205	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H-H2O"	-17.0027
"287331"	799.422676	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+H"	1.007276
"683031"	1198.630376	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+H"	1.007276
"1359381"	400.214976	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H"	1.007276
"130087"	400.214976	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+2H"	2.014552
"571834"	599.818826	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+2H"	2.014552
"1043916"	200.611126	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2H"	2.014552
"208536"	267.145742666667	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+3H"	3.021828
"644930"	400.214976	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+3H"	3.021828
"1171691"	134.076509333333	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+3H"	3.021828
"429500"	816.449223	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+NH4"	18.033823
"794869"	1215.656923	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+NH4"	18.033823
"1696685"	417.241523	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+NH4"	18.033823
"345204"	408.7282495	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+H+NH4"	19.041099
"738277"	608.3320995	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+H+NH4"	19.041099
"1491684"	209.1243995	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H+NH4"	19.041099
"407812"	821.404618	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+Na"	22.989218
"768322"	1220.612318	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+Na"	22.989218
"1617148"	422.196918	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Na"	22.989218
"328527"	411.205947	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+H+Na"	23.996494
"721677"	610.809797	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+H+Na"	23.996494
"1476226"	211.602097	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H+Na"	23.996494
"1067524"	141.403823333333	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2H+Na"	25.00377
"1268349"	432.241186	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+CH3OH+H"	33.033486
"388746"	837.378558	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+K"	38.963158
"749738"	1236.586258	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+K"	38.963158
"1555201"	438.170858	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+K"	38.963158
"311156"	419.192917	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+H+K"	39.970434
"706382"	618.796767	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+H+K"	39.970434
"1456309"	219.589067	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H+K"	39.970434
"246010"	840.449226	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+ACN+H"	42.033826
"1223474"	441.241526	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+ACN+H"	42.033826
"1209056"	221.124401	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+ACN+2H"	43.041102
"202416"	843.38656	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+2Na-H"	44.97116
"642707"	1242.59426	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+2Na-H"	44.97116
"1145487"	444.17886	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2Na-H"	44.97116
"188281"	422.196918	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+2Na"	45.978436
"628136"	621.800768	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+2Na"	45.978436
"1130382"	222.593068	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2Na"	45.978436
"1414112"	148.731137333333	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H+2Na"	46.985712
"1445546"	446.220446	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H+HCOOH"	47.012746
"235351"	427.22994	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+3H2O+2H"	56.04448
"1522324"	460.27249	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+IsoProp+H"	61.06479
"423828"	430.183888	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+Na+K"	61.952376
"785067"	629.787738	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+Na+K"	61.952376
"1679696"	230.580038	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Na+K"	61.952376
"266904"	862.431168	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+ACN+Na"	64.015768
"1240749"	463.223468	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+ACN+Na"	64.015768
"1728412"	463.246993	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+NH4+HCOOH"	64.039293
"1194171"	156.058451333333	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+3Na"	68.967654
"1663050"	468.202388	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Na+HCOOH"	68.994688
"172673"	875.33444	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+2K-H"	76.91904
"612800"	1274.54214	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+2K-H"	76.91904
"1099211"	476.12674	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2K-H"	76.91904
"151901"	438.170858	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"2M+2K"	77.926316
"592553"	637.774708	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"3M+2K"	77.926316
"1083384"	238.567008	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2K"	77.926316
"1113555"	478.141292	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2K+H"	78.933592
"1346659"	478.228907	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+DMSO+H"	79.021207
"1016284"	482.268076	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2ACN+H"	83.060376
"1534408"	483.261708	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+IsoProp+Na+H"	84.054008
"1005232"	241.637676	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+2ACN+2H"	84.067652
"1602532"	484.176328	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+K+HCOOH"	84.968628
"1428675"	514.207838	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+H+CF3COOH"	115.000138
"1156774"	262.150951	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+3ACN+2H"	125.094202
"1705231"	531.234385	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+NH4+CF3COOH"	132.026685
"1646349"	536.18978	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+Na+CF3COOH"	136.98208
"1574346"	552.16372	"C07339"	"Quinacrine;Mepacrine"	"C23H30ClN3O"	"399.2077"	"M+K+CF3COOH"	152.95602
"811273"	474.1922	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M"	0
"981527"	455.17381	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-H2O-H"	-19.01839
"67582"	315.120857333333	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M-3H"	-3.021828
"504954"	473.184924	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M-3H"	-3.021828
"882026"	157.056790666667	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-3H"	-3.021828
"13363"	473.184924	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M-2H"	-2.014552
"445272"	710.281024	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M-2H"	-2.014552
"827447"	236.088824	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-2H"	-2.014552
"88533"	947.377124	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M-H"	-1.007276
"531012"	1421.569324	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M-H"	-1.007276
"908088"	473.184924	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-H"	-1.007276
"60882"	964.403671	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M-2H+NH4"	16.019271
"502520"	1438.595871	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M-2H+NH4"	16.019271
"879891"	490.211471	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-2H+NH4"	16.019271
"47074"	969.359066	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M-2H+Na"	20.974666
"486688"	1443.551266	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M-2H+Na"	20.974666
"864124"	495.166866	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-2H+Na"	20.974666
"1633534"	495.166866	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Na-2H"	20.974666
"106781"	491.173263	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M-H+Cl"	33.962126
"544151"	728.269363	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M-H+Cl"	33.962126
"939491"	254.077163	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-H+Cl"	33.962126
"281453"	983.353802	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+Cl"	34.969402
"673510"	1457.546002	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+Cl"	34.969402
"1286885"	509.161602	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Cl"	34.969402
"26891"	985.333006	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M-2H+K"	36.948606
"463171"	1459.525206	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M-2H+K"	36.948606
"840971"	511.140806	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-2H+K"	36.948606
"1557899"	511.140806	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+K-2H"	36.948606
"949061"	519.190394	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-H+HCOOH"	44.998194
"370558"	993.382601	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+HCOOH-H"	44.998201
"350434"	1007.398251	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+Hac-H"	59.013851
"1493798"	533.206051	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Hac-H"	59.013851
"964256"	541.172351	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-H+NaCOOH"	66.980151
"111339"	509.161602	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+2Cl"	69.938804
"551021"	746.257702	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+2Cl"	69.938804
"1021763"	272.065502	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2Cl"	69.938804
"1241350"	553.111085	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Br"	78.918885
"1317041"	555.167072	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Cl+HCOOH"	80.974872
"1329798"	577.149029	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Cl+NaCOOH"	102.956829
"918669"	587.177786	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M-H+CF3COOH"	112.985586
"1294282"	623.154464	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Cl+CF3COOH"	148.962264
"1371351"	439.179524	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H-2H2O"	-35.012676
"1385567"	457.1895	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H-H2O"	-17.0027
"287441"	949.391676	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+H"	1.007276
"685328"	1423.583876	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+H"	1.007276
"1361679"	475.199476	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H"	1.007276
"131290"	475.199476	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+2H"	2.014552
"570851"	712.295576	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+2H"	2.014552
"1038549"	238.103376	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2H"	2.014552
"205116"	317.135409333333	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+3H"	3.021828
"646015"	475.199476	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+3H"	3.021828
"1165598"	159.071342666667	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+3H"	3.021828
"428513"	966.418223	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+NH4"	18.033823
"794979"	1440.610423	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+NH4"	18.033823
"1693869"	492.226023	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+NH4"	18.033823
"340686"	483.7127495	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+H+NH4"	19.041099
"735291"	720.8088495	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+H+NH4"	19.041099
"1489113"	246.6166495	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H+NH4"	19.041099
"404881"	971.373618	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+Na"	22.989218
"768065"	1445.565818	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+Na"	22.989218
"1616164"	497.181418	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Na"	22.989218
"328997"	486.190447	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+H+Na"	23.996494
"722519"	723.286547	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+H+Na"	23.996494
"1476336"	249.094347	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H+Na"	23.996494
"1067635"	166.398656666667	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2H+Na"	25.00377
"1271011"	507.225686	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+CH3OH+H"	33.033486
"389949"	987.347558	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+K"	38.963158
"748755"	1461.539758	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+K"	38.963158
"1555026"	513.155358	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+K"	38.963158
"310902"	494.177417	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+H+K"	39.970434
"706250"	731.273517	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+H+K"	39.970434
"1456055"	257.081317	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H+K"	39.970434
"246120"	990.418226	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+ACN+H"	42.033826
"1223953"	516.226026	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+ACN+H"	42.033826
"1209172"	258.616651	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+ACN+2H"	43.041102
"204244"	993.35556	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+2Na-H"	44.97116
"644038"	1467.54776	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+2Na-H"	44.97116
"1146855"	519.16336	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2Na-H"	44.97116
"188495"	497.181418	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+2Na"	45.978436
"628404"	734.277518	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+2Na"	45.978436
"1131222"	260.085318	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2Na"	45.978436
"1413900"	173.725970666667	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H+2Na"	46.985712
"1445243"	521.204946	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H+HCOOH"	47.012746
"235339"	502.21444	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+3H2O+2H"	56.04448
"1523976"	535.25699	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+IsoProp+H"	61.06479
"424214"	505.168388	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+Na+K"	61.952376
"785345"	742.264488	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+Na+K"	61.952376
"1680172"	268.072288	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Na+K"	61.952376
"265238"	1012.400168	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+ACN+Na"	64.015768
"1239769"	538.207968	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+ACN+Na"	64.015768
"1728170"	538.231493	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+NH4+HCOOH"	64.039293
"1194140"	181.053284666667	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+3Na"	68.967654
"1664984"	543.186888	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Na+HCOOH"	68.994688
"172505"	1025.30344	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+2K-H"	76.91904
"612712"	1499.49564	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+2K-H"	76.91904
"1099449"	551.11124	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2K-H"	76.91904
"155291"	513.155358	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"2M+2K"	77.926316
"595822"	750.251458	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"3M+2K"	77.926316
"1083013"	276.059258	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2K"	77.926316
"1114276"	553.125792	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2K+H"	78.933592
"1347864"	553.213407	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+DMSO+H"	79.021207
"1016394"	557.252576	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2ACN+H"	83.060376
"1534518"	558.246208	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+IsoProp+Na+H"	84.054008
"1002062"	279.129926	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+2ACN+2H"	84.067652
"1602031"	559.160828	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+K+HCOOH"	84.968628
"1427691"	589.192338	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+H+CF3COOH"	115.000138
"1155791"	299.643201	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+3ACN+2H"	125.094202
"1705341"	606.218885	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+NH4+CF3COOH"	132.026685
"1645366"	611.17428	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+Na+CF3COOH"	136.98208
"1574456"	627.14822	"C07340"	"Quinapril hydrochloride"	"C25H30N2O5HCl"	"474.1922"	"M+K+CF3COOH"	152.95602
"808103"	279.1583	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M"	0
"978357"	260.13991	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-H2O-H"	-19.01839
"65505"	185.098257333333	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M-3H"	-3.021828
"505428"	278.151024	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M-3H"	-3.021828
"881408"	92.0454906666667	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-3H"	-3.021828
"13473"	278.151024	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M-2H"	-2.014552
"445380"	417.730174	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M-2H"	-2.014552
"824276"	138.571874	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-2H"	-2.014552
"87547"	557.309324	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M-H"	-1.007276
"527108"	836.467624	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M-H"	-1.007276
"910389"	278.151024	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-H"	-1.007276
"61477"	574.335871	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M-2H+NH4"	16.019271
"501902"	853.494171	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M-2H+NH4"	16.019271
"878975"	295.177571	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-2H+NH4"	16.019271
"46505"	579.291266	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M-2H+Na"	20.974666
"486552"	858.449566	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M-2H+Na"	20.974666
"863385"	300.132966	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-2H+Na"	20.974666
"1633526"	300.132966	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Na-2H"	20.974666
"109688"	296.139363	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M-H+Cl"	33.962126
"547423"	435.718513	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M-H+Cl"	33.962126
"937776"	156.560213	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-H+Cl"	33.962126
"282252"	593.286002	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+Cl"	34.969402
"673861"	872.444302	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+Cl"	34.969402
"1285534"	314.127702	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Cl"	34.969402
"28092"	595.265206	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M-2H+K"	36.948606
"466561"	874.423506	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M-2H+K"	36.948606
"844362"	316.106906	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-2H+K"	36.948606
"1563475"	316.106906	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+K-2H"	36.948606
"949171"	324.156494	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-H+HCOOH"	44.998194
"365200"	603.314801	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+HCOOH-H"	44.998201
"353459"	617.330451	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+Hac-H"	59.013851
"1496825"	338.172151	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Hac-H"	59.013851
"960719"	346.138451	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-H+NaCOOH"	66.980151
"111813"	314.127702	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+2Cl"	69.938804
"550398"	453.706852	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+2Cl"	69.938804
"1021992"	174.548552	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2Cl"	69.938804
"1248866"	358.077185	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Br"	78.918885
"1312411"	360.133172	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Cl+HCOOH"	80.974872
"1326626"	382.115129	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Cl+NaCOOH"	102.956829
"917683"	392.143886	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M-H+CF3COOH"	112.985586
"1294390"	428.120564	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Cl+CF3COOH"	148.962264
"1368907"	244.145624	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H-2H2O"	-35.012676
"1385676"	262.1556	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H-H2O"	-17.0027
"291922"	559.323876	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+H"	1.007276
"685437"	838.482176	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+H"	1.007276
"1360692"	280.165576	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H"	1.007276
"128483"	280.165576	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+2H"	2.014552
"566949"	419.744726	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+2H"	2.014552
"1039758"	140.586426	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2H"	2.014552
"212035"	187.112809333333	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+3H"	3.021828
"645394"	280.165576	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+3H"	3.021828
"1166071"	94.0600426666667	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+3H"	3.021828
"428622"	576.350423	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+NH4"	18.033823
"796182"	855.508723	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+NH4"	18.033823
"1695803"	297.192123	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+NH4"	18.033823
"343349"	288.6788495	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+H+NH4"	19.041099
"735401"	428.2579995	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+H+NH4"	19.041099
"1491409"	149.0996995	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H+NH4"	19.041099
"406084"	581.305818	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+Na"	22.989218
"767810"	860.464118	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+Na"	22.989218
"1617369"	302.147518	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Na"	22.989218
"327402"	291.156547	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+H+Na"	23.996494
"722222"	430.735697	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+H+Na"	23.996494
"1476567"	151.577397	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H+Na"	23.996494
"1068109"	101.387356666667	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2H+Na"	25.00377
"1272175"	312.191786	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+CH3OH+H"	33.033486
"390787"	597.279758	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+K"	38.963158
"748865"	876.438058	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+K"	38.963158
"1555138"	318.121458	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+K"	38.963158
"310281"	299.143517	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+H+K"	39.970434
"699421"	438.722667	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+H+K"	39.970434
"1461114"	159.564367	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H+K"	39.970434
"244039"	600.350426	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+ACN+H"	42.033826
"1223317"	321.192126	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+ACN+H"	42.033826
"1207934"	161.099701	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+ACN+2H"	43.041102
"203738"	603.28776	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+2Na-H"	44.97116
"643869"	882.44606	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+2Na-H"	44.97116
"1145951"	324.12946	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2Na-H"	44.97116
"187662"	302.147518	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+2Na"	45.978436
"628357"	441.726668	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+2Na"	45.978436
"1131133"	162.568368	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2Na"	45.978436
"1413640"	108.714670666667	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H+2Na"	46.985712
"1444661"	326.171046	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H+HCOOH"	47.012746
"235410"	307.18054	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+3H2O+2H"	56.04448
"1523150"	340.22309	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+IsoProp+H"	61.06479
"423934"	310.134488	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+Na+K"	61.952376
"785408"	449.713638	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+Na+K"	61.952376
"1681010"	170.555338	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Na+K"	61.952376
"266803"	622.332368	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+ACN+Na"	64.015768
"1240122"	343.174068	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+ACN+Na"	64.015768
"1728235"	343.197593	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+NH4+HCOOH"	64.039293
"1193626"	116.041984666667	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+3Na"	68.967654
"1664980"	348.152988	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Na+HCOOH"	68.994688
"172411"	635.23564	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+2K-H"	76.91904
"612538"	914.39394	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+2K-H"	76.91904
"1099311"	356.07734	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2K-H"	76.91904
"155281"	318.121458	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"2M+2K"	77.926316
"595690"	457.700608	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"3M+2K"	77.926316
"1084127"	178.542308	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2K"	77.926316
"1114023"	358.091892	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2K+H"	78.933592
"1347974"	358.179507	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+DMSO+H"	79.021207
"1018691"	362.218676	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2ACN+H"	83.060376
"1534628"	363.212308	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+IsoProp+Na+H"	84.054008
"1003996"	181.612976	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+2ACN+2H"	84.067652
"1601658"	364.126928	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+K+HCOOH"	84.968628
"1427801"	394.158438	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+H+CF3COOH"	115.000138
"1158087"	202.126251	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+3ACN+2H"	125.094202
"1705451"	411.184985	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+NH4+CF3COOH"	132.026685
"1645476"	416.14038	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+Na+CF3COOH"	136.98208
"1574566"	432.11432	"C07341"	"Oxamniquine"	"C14H21N3O3"	"279.1583"	"M+K+CF3COOH"	152.95602
"811493"	289.0288	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M"	0
"976278"	270.01041	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-H2O-H"	-19.01839
"64643"	191.678590666667	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M-3H"	-3.021828
"511734"	288.021524	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M-3H"	-3.021828
"889536"	95.3356573333333	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-3H"	-3.021828
"13583"	288.021524	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M-2H"	-2.014552
"444397"	432.535924	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M-2H"	-2.014552
"832038"	143.507124	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-2H"	-2.014552
"94145"	577.050324	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M-H"	-1.007276
"526124"	866.079124	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M-H"	-1.007276
"910860"	288.021524	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-H"	-1.007276
"57212"	594.076871	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M-2H+NH4"	16.019271
"502576"	883.105671	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M-2H+NH4"	16.019271
"878589"	305.048071	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-2H+NH4"	16.019271
"46370"	599.032266	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M-2H+Na"	20.974666
"486949"	888.061066	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M-2H+Na"	20.974666
"863899"	310.003466	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-2H+Na"	20.974666
"1633387"	310.003466	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Na-2H"	20.974666
"109473"	306.009863	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M-H+Cl"	33.962126
"546561"	450.524263	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M-H+Cl"	33.962126
"936793"	161.495463	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-H+Cl"	33.962126
"282442"	613.027002	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+Cl"	34.969402
"673241"	902.055802	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+Cl"	34.969402
"1285645"	323.998202	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Cl"	34.969402
"26015"	615.006206	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M-2H+K"	36.948606
"466671"	904.035006	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M-2H+K"	36.948606
"841192"	325.977406	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-2H+K"	36.948606
"1561398"	325.977406	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+K-2H"	36.948606
"949281"	334.026994	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-H+HCOOH"	44.998194
"365309"	623.055801	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+HCOOH-H"	44.998201
"353569"	637.071451	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+Hac-H"	59.013851
"1498028"	348.042651	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Hac-H"	59.013851
"959736"	356.008951	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-H+NaCOOH"	66.980151
"112287"	323.998202	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+2Cl"	69.938804
"551603"	468.512602	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+2Cl"	69.938804
"1022469"	179.483802	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2Cl"	69.938804
"1246790"	367.947685	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Br"	78.918885
"1314708"	370.003672	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Cl+HCOOH"	80.974872
"1324550"	391.985629	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Cl+NaCOOH"	102.956829
"917794"	402.014386	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M-H+CF3COOH"	112.985586
"1297781"	437.991064	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Cl+CF3COOH"	148.962264
"1371569"	254.016124	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H-2H2O"	-35.012676
"1392346"	272.0261	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H-H2O"	-17.0027
"292032"	579.064876	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+H"	1.007276
"686640"	868.093676	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+H"	1.007276
"1359709"	290.036076	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H"	1.007276
"128957"	290.036076	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+2H"	2.014552
"567783"	434.550476	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+2H"	2.014552
"1038407"	145.521676	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2H"	2.014552
"211051"	193.693142666667	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+3H"	3.021828
"646596"	290.036076	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+3H"	3.021828
"1165817"	97.3502093333333	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+3H"	3.021828
"428732"	596.091423	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+NH4"	18.033823
"793012"	885.120223	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+NH4"	18.033823
"1692626"	307.062623	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+NH4"	18.033823
"337623"	298.5493495	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+H+NH4"	19.041099
"731136"	443.0637495	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+H+NH4"	19.041099
"1484957"	154.0349495	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H+NH4"	19.041099
"406923"	601.046818	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+Na"	22.989218
"768284"	890.075618	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+Na"	22.989218
"1617478"	312.018018	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Na"	22.989218
"328969"	301.027047	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+H+Na"	23.996494
"720659"	445.541447	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+H+Na"	23.996494
"1476307"	156.512647	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H+Na"	23.996494
"1068365"	104.677523333333	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2H+Na"	25.00377
"1272530"	322.062286	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+CH3OH+H"	33.033486
"391261"	617.020758	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+K"	38.963158
"750069"	906.049558	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+K"	38.963158
"1555519"	327.991958	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+K"	38.963158
"310391"	309.014017	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+H+K"	39.970434
"699531"	453.528417	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+H+K"	39.970434
"1461201"	164.499617	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H+K"	39.970434
"242326"	620.091426	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+ACN+H"	42.033826
"1223426"	331.062626	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+ACN+H"	42.033826
"1209134"	166.034951	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+ACN+2H"	43.041102
"203725"	623.02876	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+2Na-H"	44.97116
"643529"	912.05756	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+2Na-H"	44.97116
"1146820"	333.99996	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2Na-H"	44.97116
"187285"	312.018018	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+2Na"	45.978436
"628148"	456.532418	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+2Na"	45.978436
"1130594"	167.503618	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2Na"	45.978436
"1413957"	112.004837333333	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H+2Na"	46.985712
"1445258"	336.041546	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H+HCOOH"	47.012746
"235576"	317.05104	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+3H2O+2H"	56.04448
"1523376"	350.09359	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+IsoProp+H"	61.06479
"422697"	320.004988	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+Na+K"	61.952376
"785033"	464.519388	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+Na+K"	61.952376
"1681150"	175.490588	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Na+K"	61.952376
"266957"	642.073368	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+ACN+Na"	64.015768
"1241286"	353.044568	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+ACN+Na"	64.015768
"1724492"	353.068093	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+NH4+HCOOH"	64.039293
"1190207"	119.332151333333	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+3Na"	68.967654
"1661193"	358.023488	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Na+HCOOH"	68.994688
"172765"	654.97664	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+2K-H"	76.91904
"612648"	944.00544	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+2K-H"	76.91904
"1098814"	365.94784	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2K-H"	76.91904
"156487"	327.991958	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"2M+2K"	77.926316
"596535"	472.506358	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"3M+2K"	77.926316
"1083232"	183.477558	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2K"	77.926316
"1114984"	367.962392	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2K+H"	78.933592
"1350271"	368.050007	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+DMSO+H"	79.021207
"1017708"	372.089176	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2ACN+H"	83.060376
"1536925"	373.082808	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+IsoProp+Na+H"	84.054008
"1004469"	186.548226	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+2ACN+2H"	84.067652
"1598972"	373.997428	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+K+HCOOH"	84.968628
"1422444"	404.028938	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+H+CF3COOH"	115.000138
"1154917"	207.061501	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+3ACN+2H"	125.094202
"1705561"	421.055485	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+NH4+CF3COOH"	132.026685
"1645586"	426.01088	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+Na+CF3COOH"	136.98208
"1574676"	441.98482	"C07342"	"Quinethazone"	"C10H12ClN3O3S"	"289.0288"	"M+K+CF3COOH"	152.95602
"811603"	1077.4024	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M"	0
"974929"	1058.38401	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-H2O-H"	-19.01839
"65725"	717.260990666667	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M-3H"	-3.021828
"508564"	1076.395124	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M-3H"	-3.021828
"886366"	358.126857333333	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-3H"	-3.021828
"14057"	1076.395124	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M-2H"	-2.014552
"446693"	1615.096324	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M-2H"	-2.014552
"832027"	537.693924	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-2H"	-2.014552
"93970"	2153.797524	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M-H"	-1.007276
"531580"	3231.199924	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M-H"	-1.007276
"909876"	1076.395124	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-H"	-1.007276
"58415"	2170.824071	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M-2H+NH4"	16.019271
"502113"	3248.226471	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M-2H+NH4"	16.019271
"878942"	1093.421671	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-2H+NH4"	16.019271
"46722"	2175.779466	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M-2H+Na"	20.974666
"483971"	3253.181866	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M-2H+Na"	20.974666
"863604"	1098.377066	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-2H+Na"	20.974666
"1631673"	1098.377066	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Na-2H"	20.974666
"106014"	1094.383463	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M-H+Cl"	33.962126
"539013"	1633.084663	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M-H+Cl"	33.962126
"934716"	555.682263	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-H+Cl"	33.962126
"280928"	2189.774202	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+Cl"	34.969402
"673349"	3267.176602	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+Cl"	34.969402
"1286120"	1112.371802	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Cl"	34.969402
"26125"	2191.753406	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M-2H+K"	36.948606
"466781"	3269.155806	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M-2H+K"	36.948606
"839115"	1114.351006	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-2H+K"	36.948606
"1561508"	1114.351006	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+K-2H"	36.948606
"949391"	1122.400594	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-H+HCOOH"	44.998194
"365419"	2199.803001	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+HCOOH-H"	44.998201
"353679"	2213.818651	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+Hac-H"	59.013851
"1497045"	1136.416251	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Hac-H"	59.013851
"960939"	1144.382551	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-H+NaCOOH"	66.980151
"112761"	1112.371802	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+2Cl"	69.938804
"552322"	1651.073002	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+2Cl"	69.938804
"1024037"	573.670602	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2Cl"	69.938804
"1250180"	1156.321285	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Br"	78.918885
"1312629"	1158.377272	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Cl+HCOOH"	80.974872
"1324659"	1180.359229	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Cl+NaCOOH"	102.956829
"921184"	1190.387986	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M-H+CF3COOH"	112.985586
"1296798"	1226.364664	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Cl+CF3COOH"	148.962264
"1376054"	1042.389724	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H-2H2O"	-35.012676
"1391363"	1060.3997	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H-H2O"	-17.0027
"291049"	2155.812076	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+H"	1.007276
"684564"	3233.214476	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+H"	1.007276
"1357632"	1078.409676	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H"	1.007276
"126151"	1078.409676	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+2H"	2.014552
"567892"	1617.110876	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+2H"	2.014552
"1039248"	539.708476	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2H"	2.014552
"212254"	719.275542666667	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+3H"	3.021828
"651813"	1078.409676	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+3H"	3.021828
"1165927"	360.141409333333	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+3H"	3.021828
"431028"	2172.838623	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+NH4"	18.033823
"793122"	3250.241023	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+NH4"	18.033823
"1692736"	1095.436223	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+NH4"	18.033823
"336640"	1086.9229495	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+H+NH4"	19.041099
"730153"	1625.6241495	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+H+NH4"	19.041099
"1483974"	548.2217495	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H+NH4"	19.041099
"406305"	2177.794018	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+Na"	22.989218
"765843"	3255.196418	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+Na"	22.989218
"1616125"	1100.391618	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Na"	22.989218
"327256"	1089.400647	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+H+Na"	23.996494
"719676"	1628.101847	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+H+Na"	23.996494
"1475931"	550.699447	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H+Na"	23.996494
"1067474"	367.468723333333	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2H+Na"	25.00377
"1272516"	1110.435886	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+CH3OH+H"	33.033486
"392629"	2193.767958	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+K"	38.963158
"750179"	3271.170358	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+K"	38.963158
"1555580"	1116.365558	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+K"	38.963158
"309408"	1097.387617	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+H+K"	39.970434
"697454"	1636.088817	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+H+K"	39.970434
"1461234"	558.686417	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H+K"	39.970434
"244259"	2196.838626	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+ACN+H"	42.033826
"1222443"	1119.436226	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+ACN+H"	42.033826
"1208881"	560.221751	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+ACN+2H"	43.041102
"203706"	2199.77596	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+2Na-H"	44.97116
"644115"	3277.17836	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+2Na-H"	44.97116
"1146822"	1122.37356	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2Na-H"	44.97116
"187396"	1100.391618	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+2Na"	45.978436
"628170"	1639.092818	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+2Na"	45.978436
"1130832"	561.690418	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2Na"	45.978436
"1413829"	374.796037333333	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H+2Na"	46.985712
"1445525"	1124.415146	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H+HCOOH"	47.012746
"235064"	1105.42464	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+3H2O+2H"	56.04448
"1523733"	1138.46719	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+IsoProp+H"	61.06479
"422808"	1108.378588	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+Na+K"	61.952376
"785388"	1647.079788	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+Na+K"	61.952376
"1681108"	569.677388	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Na+K"	61.952376
"267046"	2218.820568	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+ACN+Na"	64.015768
"1241306"	1141.418168	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+ACN+Na"	64.015768
"1725331"	1141.441693	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+NH4+HCOOH"	64.039293
"1191777"	382.123351333333	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+3Na"	68.967654
"1662760"	1146.397088	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Na+HCOOH"	68.994688
"172713"	2231.72384	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+2K-H"	76.91904
"612473"	3309.12624	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+2K-H"	76.91904
"1099167"	1154.32144	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2K-H"	76.91904
"156964"	1116.365558	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"2M+2K"	77.926316
"597071"	1655.066758	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"3M+2K"	77.926316
"1083625"	577.664358	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2K"	77.926316
"1114848"	1156.335992	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2K+H"	78.933592
"1348924"	1156.423607	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+DMSO+H"	79.021207
"1018910"	1160.462776	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2ACN+H"	83.060376
"1538858"	1161.456408	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+IsoProp+Na+H"	84.054008
"1004579"	580.735026	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+2ACN+2H"	84.067652
"1599082"	1162.371028	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+K+HCOOH"	84.968628
"1424741"	1192.402538	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+H+CF3COOH"	115.000138
"1157214"	601.248301	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+3ACN+2H"	125.094202
"1705671"	1209.429085	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+NH4+CF3COOH"	132.026685
"1644603"	1214.38448	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+Na+CF3COOH"	136.98208
"1574786"	1230.35842	"C07343"	"2-Hydroxyphytanoyl-CoA"	"C41H74N7O18P3S"	"1077.4024"	"M+K+CF3COOH"	152.95602
"813900"	340.1787	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M"	0
"977591"	321.16031	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-H2O-H"	-19.01839
"64376"	225.778524	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M-3H"	-3.021828
"508674"	339.171424	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M-3H"	-3.021828
"886476"	112.385624	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-3H"	-3.021828
"15267"	339.171424	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M-2H"	-2.014552
"454335"	509.260774	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M-2H"	-2.014552
"832508"	169.082074	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-2H"	-2.014552
"92248"	679.350124	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M-H"	-1.007276
"531690"	1019.528824	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M-H"	-1.007276
"903053"	339.171424	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-H"	-1.007276
"53055"	696.376671	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M-2H+NH4"	16.019271
"500155"	1036.555371	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M-2H+NH4"	16.019271
"876862"	356.197971	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-2H+NH4"	16.019271
"45858"	701.332066	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M-2H+Na"	20.974666
"483718"	1041.510766	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M-2H+Na"	20.974666
"862858"	361.153366	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-2H+Na"	20.974666
"1630690"	361.153366	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Na-2H"	20.974666
"102844"	357.159763	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M-H+Cl"	33.962126
"540216"	527.249113	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M-H+Cl"	33.962126
"930452"	187.070413	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-H+Cl"	33.962126
"267427"	715.326802	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+Cl"	34.969402
"670179"	1055.505502	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+Cl"	34.969402
"1285864"	375.148102	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Cl"	34.969402
"27326"	717.306006	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M-2H+K"	36.948606
"459237"	1057.484706	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M-2H+K"	36.948606
"834851"	377.127306	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-2H+K"	36.948606
"1559431"	377.127306	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+K-2H"	36.948606
"948408"	385.176894	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-H+HCOOH"	44.998194
"365529"	725.355601	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+HCOOH-H"	44.998201
"352695"	739.371251	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+Hac-H"	59.013851
"1498248"	399.192551	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Hac-H"	59.013851
"961778"	407.158851	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-H+NaCOOH"	66.980151
"111778"	375.148102	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+2Cl"	69.938804
"552432"	545.237452	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+2Cl"	69.938804
"1022446"	205.058752	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2Cl"	69.938804
"1249197"	419.097585	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Br"	78.918885
"1312739"	421.153572	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Cl+HCOOH"	80.974872
"1325863"	443.135529	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Cl+NaCOOH"	102.956829
"920201"	453.164286	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M-H+CF3COOH"	112.985586
"1299095"	489.140964	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Cl+CF3COOH"	148.962264
"1378351"	305.166024	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H-2H2O"	-35.012676
"1391472"	323.176	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H-H2O"	-17.0027
"287877"	681.364676	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+H"	1.007276
"685767"	1021.543376	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+H"	1.007276
"1358835"	341.185976	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H"	1.007276
"131729"	341.185976	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+2H"	2.014552
"572382"	511.275326	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+2H"	2.014552
"1044462"	171.096626	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2H"	2.014552
"212364"	227.793076	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+3H"	3.021828
"650464"	341.185976	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+3H"	3.021828
"1168225"	114.400176	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+3H"	3.021828
"432232"	698.391223	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+NH4"	18.033823
"791046"	1038.569923	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+NH4"	18.033823
"1692482"	358.212523	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+NH4"	18.033823
"335657"	349.6992495	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+H+NH4"	19.041099
"729170"	519.7885995	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+H+NH4"	19.041099
"1484084"	179.6098995	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H+NH4"	19.041099
"406415"	703.346618	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+Na"	22.989218
"767411"	1043.525318	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+Na"	22.989218
"1616601"	363.167918	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Na"	22.989218
"326638"	352.176947	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+H+Na"	23.996494
"719787"	522.266297	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+H+Na"	23.996494
"1470325"	182.087597	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H+Na"	23.996494
"1063938"	121.72749	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2H+Na"	25.00377
"1270720"	373.212186	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+CH3OH+H"	33.033486
"390877"	719.320558	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+K"	38.963158
"751382"	1059.499258	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+K"	38.963158
"1554655"	379.141858	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+K"	38.963158
"309518"	360.163917	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+H+K"	39.970434
"696471"	530.253267	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+H+K"	39.970434
"1460385"	190.074567	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H+K"	39.970434
"244369"	722.391226	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+ACN+H"	42.033826
"1222189"	382.212526	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+ACN+H"	42.033826
"1208625"	191.609901	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+ACN+2H"	43.041102
"201870"	725.32856	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+2Na-H"	44.97116
"644227"	1065.50726	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+2Na-H"	44.97116
"1146993"	385.14986	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2Na-H"	44.97116
"188529"	363.167918	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+2Na"	45.978436
"628328"	533.257268	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+2Na"	45.978436
"1131025"	193.078568	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2Na"	45.978436
"1413939"	129.054804	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H+2Na"	46.985712
"1445365"	387.191446	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H+HCOOH"	47.012746
"234196"	368.20094	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+3H2O+2H"	56.04448
"1524050"	401.24349	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+IsoProp+H"	61.06479
"421825"	371.154888	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+Na+K"	61.952376
"785477"	541.244238	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+Na+K"	61.952376
"1681219"	201.065538	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Na+K"	61.952376
"267011"	744.373168	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+ACN+Na"	64.015768
"1240894"	404.194468	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+ACN+Na"	64.015768
"1725440"	404.217993	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+NH4+HCOOH"	64.039293
"1187146"	136.382118	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+3Na"	68.967654
"1663598"	409.173388	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Na+HCOOH"	68.994688
"172047"	757.27644	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+2K-H"	76.91904
"606745"	1097.45514	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+2K-H"	76.91904
"1093442"	417.09774	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2K-H"	76.91904
"155614"	379.141858	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"2M+2K"	77.926316
"596752"	549.231208	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"3M+2K"	77.926316
"1083694"	209.052508	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2K"	77.926316
"1114716"	419.112292	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2K+H"	78.933592
"1349398"	419.199907	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+DMSO+H"	79.021207
"1019020"	423.239076	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2ACN+H"	83.060376
"1538240"	424.232708	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+IsoProp+Na+H"	84.054008
"1004689"	212.123176	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+2ACN+2H"	84.067652
"1599192"	425.147328	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+K+HCOOH"	84.968628
"1421570"	455.178838	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+H+CF3COOH"	115.000138
"1157325"	232.636451	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+3ACN+2H"	125.094202
"1707968"	472.205385	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+NH4+CF3COOH"	132.026685
"1645806"	477.16078	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+Na+CF3COOH"	136.98208
"1578176"	493.13472	"C07344"	"3-Hydroxyquinine"	"C20H24N2O3"	"340.1787"	"M+K+CF3COOH"	152.95602
"811823"	120.1025	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M"	0
"974906"	101.08411	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-H2O-H"	-19.01839
"64851"	79.0610573333333	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M-3H"	-3.021828
"505504"	119.095224	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M-3H"	-3.021828
"886586"	39.0268906666667	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-3H"	-3.021828
"15251"	119.095224	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M-2H"	-2.014552
"454933"	179.146474	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M-2H"	-2.014552
"832331"	59.043974	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-2H"	-2.014552
"92237"	239.197724	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M-H"	-1.007276
"531921"	359.300224	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M-H"	-1.007276
"905350"	119.095224	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-H"	-1.007276
"55353"	256.224271	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M-2H+NH4"	16.019271
"497105"	376.326771	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M-2H+NH4"	16.019271
"877093"	136.121771	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-2H+NH4"	16.019271
"43536"	261.179666	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M-2H+Na"	20.974666
"481275"	381.282166	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M-2H+Na"	20.974666
"860173"	141.077166	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-2H+Na"	20.974666
"1624239"	141.077166	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Na-2H"	20.974666
"98580"	137.083563	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M-H+Cl"	33.962126
"535466"	197.134813	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M-H+Cl"	33.962126
"927885"	77.032313	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-H+Cl"	33.962126
"267777"	275.174402	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+Cl"	34.969402
"669195"	395.276902	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+Cl"	34.969402
"1281601"	155.071902	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Cl"	34.969402
"21969"	277.153606	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M-2H+K"	36.948606
"460441"	397.256106	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M-2H+K"	36.948606
"837148"	157.051106	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-2H+K"	36.948606
"1560635"	157.051106	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+K-2H"	36.948606
"945238"	165.100694	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-H+HCOOH"	44.998194
"364545"	285.203201	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+HCOOH-H"	44.998201
"350619"	299.218851	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+Hac-H"	59.013851
"1498722"	179.116351	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Hac-H"	59.013851
"960066"	187.082651	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-H+NaCOOH"	66.980151
"113712"	155.071902	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+2Cl"	69.938804
"553271"	215.123152	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+2Cl"	69.938804
"1024258"	95.020652	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2Cl"	69.938804
"1250401"	199.021385	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Br"	78.918885
"1312849"	201.077372	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Cl+HCOOH"	80.974872
"1329251"	223.059329	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Cl+NaCOOH"	102.956829
"922497"	233.088086	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M-H+CF3COOH"	112.985586
"1299205"	269.064764	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Cl+CF3COOH"	148.962264
"1378461"	85.089824	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H-2H2O"	-35.012676
"1393769"	103.0998	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H-H2O"	-17.0027
"291268"	241.212276	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+H"	1.007276
"688064"	361.314776	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+H"	1.007276
"1361132"	121.109776	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H"	1.007276
"138399"	121.109776	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+2H"	2.014552
"579053"	181.161026	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+2H"	2.014552
"1050769"	61.058526	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2H"	2.014552
"214661"	81.0756093333333	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+3H"	3.021828
"653127"	121.109776	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+3H"	3.021828
"1169793"	41.0414426666667	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+3H"	3.021828
"430155"	258.238823	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+NH4"	18.033823
"792249"	378.341323	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+NH4"	18.033823
"1692956"	138.136323	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+NH4"	18.033823
"334670"	129.6230495	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+H+NH4"	19.041099
"729280"	189.6742995	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+H+NH4"	19.041099
"1480913"	69.5717995	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H+NH4"	19.041099
"407740"	263.194218	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+Na"	22.989218
"768616"	383.296718	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+Na"	22.989218
"1617075"	143.091718	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Na"	22.989218
"325654"	132.100747	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+H+Na"	23.996494
"719897"	192.151997	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+H+Na"	23.996494
"1470435"	72.049497	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H+Na"	23.996494
"1064046"	48.3687566666667	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2H+Na"	25.00377
"1271317"	153.135986	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+CH3OH+H"	33.033486
"391354"	279.168158	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+K"	38.963158
"751492"	399.270658	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+K"	38.963158
"1552452"	159.065658	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+K"	38.963158
"306348"	140.087717	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+H+K"	39.970434
"697674"	200.138967	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+H+K"	39.970434
"1460823"	80.036467	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H+K"	39.970434
"244479"	282.238826	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+ACN+H"	42.033826
"1221570"	162.136326	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+ACN+H"	42.033826
"1205091"	81.571801	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+ACN+2H"	43.041102
"201251"	285.17616	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+2Na-H"	44.97116
"643987"	405.27866	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+2Na-H"	44.97116
"1146844"	165.07366	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2Na-H"	44.97116
"188435"	143.091718	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+2Na"	45.978436
"628114"	203.142968	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+2Na"	45.978436
"1131242"	83.040468	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2Na"	45.978436
"1413678"	55.6960706666667	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H+2Na"	46.985712
"1445105"	167.115246	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H+HCOOH"	47.012746
"234183"	148.12474	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+3H2O+2H"	56.04448
"1523756"	181.16729	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+IsoProp+H"	61.06479
"422298"	151.078688	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+Na+K"	61.952376
"784997"	211.129938	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+Na+K"	61.952376
"1680113"	91.027438	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Na+K"	61.952376
"266757"	304.220768	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+ACN+Na"	64.015768
"1240315"	184.118268	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+ACN+Na"	64.015768
"1726278"	184.141793	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+NH4+HCOOH"	64.039293
"1186163"	63.0233846666667	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+3Na"	68.967654
"1661522"	189.097188	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Na+HCOOH"	68.994688
"171670"	317.12404	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+2K-H"	76.91904
"606855"	437.22654	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+2K-H"	76.91904
"1091366"	197.02154	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2K-H"	76.91904
"155603"	159.065658	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"2M+2K"	77.926316
"596863"	219.116908	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"3M+2K"	77.926316
"1083074"	99.014408	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2K"	77.926316
"1115356"	199.036092	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2K+H"	78.933592
"1350360"	199.123707	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+DMSO+H"	79.021207
"1019982"	203.162876	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2ACN+H"	83.060376
"1539444"	204.156508	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+IsoProp+Na+H"	84.054008
"1002612"	102.085076	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+2ACN+2H"	84.067652
"1599302"	205.071128	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+K+HCOOH"	84.968628
"1424960"	235.102638	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+H+CF3COOH"	115.000138
"1158527"	122.598351	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+3ACN+2H"	125.094202
"1709171"	252.129185	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+NH4+CF3COOH"	132.026685
"1647009"	257.08458	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+Na+CF3COOH"	136.98208
"1578286"	273.05852	"C07345"	"Betaine aldehyde hydrate"	"C5H14NO2"	"120.1025"	"M+K+CF3COOH"	152.95602
"811933"	306.2195	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M"	0
"980000"	287.20111	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-H2O-H"	-19.01839
"65325"	203.139057333333	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M-3H"	-3.021828
"505614"	305.212224	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M-3H"	-3.021828
"886696"	101.065890666667	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-3H"	-3.021828
"15698"	305.212224	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M-2H"	-2.014552
"454677"	458.321974	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M-2H"	-2.014552
"832117"	152.102474	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-2H"	-2.014552
"92471"	611.431724	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M-H"	-1.007276
"531546"	917.651224	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M-H"	-1.007276
"905460"	305.212224	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-H"	-1.007276
"55463"	628.458271	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M-2H+NH4"	16.019271
"496122"	934.677771	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M-2H+NH4"	16.019271
"876840"	322.238771	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-2H+NH4"	16.019271
"44010"	633.413666	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M-2H+Na"	20.974666
"481385"	939.633166	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M-2H+Na"	20.974666
"858097"	327.194166	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-2H+Na"	20.974666
"1625442"	327.194166	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Na-2H"	20.974666
"99785"	323.200563	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M-H+Cl"	33.962126
"538251"	476.310313	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M-H+Cl"	33.962126
"931764"	170.090813	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-H+Cl"	33.962126
"271415"	647.408402	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+Cl"	34.969402
"668212"	953.627902	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+Cl"	34.969402
"1283897"	341.188902	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Cl"	34.969402
"22079"	649.387606	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M-2H+K"	36.948606
"460551"	955.607106	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M-2H+K"	36.948606
"836165"	343.168106	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-2H+K"	36.948606
"1556005"	343.168106	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+K-2H"	36.948606
"944619"	351.217694	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-H+HCOOH"	44.998194
"369030"	657.437201	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+HCOOH-H"	44.998201
"352916"	671.452851	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+Hac-H"	59.013851
"1498832"	365.233351	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Hac-H"	59.013851
"961269"	373.199651	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-H+NaCOOH"	66.980151
"112729"	341.188902	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+2Cl"	69.938804
"554474"	494.298652	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+2Cl"	69.938804
"1025461"	188.079152	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2Cl"	69.938804
"1250510"	385.138385	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Br"	78.918885
"1312959"	387.194372	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Cl+HCOOH"	80.974872
"1327173"	409.176329	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Cl+NaCOOH"	102.956829
"920421"	419.205086	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M-H+CF3COOH"	112.985586
"1299316"	455.181764	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Cl+CF3COOH"	148.962264
"1381123"	271.206824	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H-2H2O"	-35.012676
"1395703"	289.2168	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H-H2O"	-17.0027
"293566"	613.446276	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+H"	1.007276
"687082"	919.665776	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+H"	1.007276
"1365252"	307.226776	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H"	1.007276
"137416"	307.226776	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+2H"	2.014552
"576977"	460.336526	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+2H"	2.014552
"1049785"	154.117026	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2H"	2.014552
"215861"	205.153609333333	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+3H"	3.021828
"657974"	307.226776	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+3H"	3.021828
"1173545"	103.080442666667	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+3H"	3.021828
"429896"	630.472823	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+NH4"	18.033823
"790167"	936.692323	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+NH4"	18.033823
"1686497"	324.253323	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+NH4"	18.033823
"335871"	315.7400495	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+H+NH4"	19.041099
"724643"	468.8497995	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+H+NH4"	19.041099
"1479924"	162.6302995	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H+NH4"	19.041099
"407359"	635.428218	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+Na"	22.989218
"759605"	941.647718	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+Na"	22.989218
"1610984"	329.208718	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Na"	22.989218
"324305"	318.217747	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+H+Na"	23.996494
"715630"	471.327497	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+H+Na"	23.996494
"1470545"	165.107997	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H+Na"	23.996494
"1064156"	110.407756666667	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2H+Na"	25.00377
"1270575"	339.252986	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+CH3OH+H"	33.033486
"392066"	651.402158	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+K"	38.963158
"747229"	957.621658	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+K"	38.963158
"1547094"	345.182658	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+K"	38.963158
"306458"	326.204717	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+H+K"	39.970434
"698877"	479.314467	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+H+K"	39.970434
"1460726"	173.094967	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H+K"	39.970434
"241308"	654.472826	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+ACN+H"	42.033826
"1221680"	348.253326	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+ACN+H"	42.033826
"1204469"	174.630301	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+ACN+2H"	43.041102
"201362"	657.41016	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+2Na-H"	44.97116
"643612"	963.62966	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+2Na-H"	44.97116
"1146385"	351.19066	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2Na-H"	44.97116
"187611"	329.208718	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+2Na"	45.978436
"627901"	482.318468	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+2Na"	45.978436
"1131085"	176.098968	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2Na"	45.978436
"1413466"	117.735070666667	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H+2Na"	46.985712
"1445186"	353.232246	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H+HCOOH"	47.012746
"233565"	334.24174	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+3H2O+2H"	56.04448
"1522843"	367.28429	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+IsoProp+H"	61.06479
"422771"	337.195688	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+Na+K"	61.952376
"783768"	490.305438	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+Na+K"	61.952376
"1677910"	184.085938	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Na+K"	61.952376
"264796"	676.454768	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+ACN+Na"	64.015768
"1237502"	370.235268	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+ACN+Na"	64.015768
"1716546"	370.258793	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+NH4+HCOOH"	64.039293
"1184087"	125.062384666667	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+3Na"	68.967654
"1659446"	375.214188	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Na+HCOOH"	68.994688
"170683"	689.35804	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+2K-H"	76.91904
"608058"	995.57754	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+2K-H"	76.91904
"1091476"	383.13854	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2K-H"	76.91904
"155839"	345.182658	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"2M+2K"	77.926316
"596850"	498.292408	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"3M+2K"	77.926316
"1083184"	192.072908	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2K"	77.926316
"1115058"	385.153092	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2K+H"	78.933592
"1350470"	385.240707	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+DMSO+H"	79.021207
"1019241"	389.279876	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2ACN+H"	83.060376
"1539433"	390.273508	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+IsoProp+Na+H"	84.054008
"1002722"	195.143576	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+2ACN+2H"	84.067652
"1598318"	391.188128	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+K+HCOOH"	84.968628
"1425070"	421.219638	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+H+CF3COOH"	115.000138
"1158638"	215.656851	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+3ACN+2H"	125.094202
"1706001"	438.246185	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+NH4+CF3COOH"	132.026685
"1637278"	443.20158	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+Na+CF3COOH"	136.98208
"1575116"	459.17552	"C07346"	"Oxandrolone"	"C19H30O3"	"306.2195"	"M+K+CF3COOH"	152.95602
"812043"	877.0978	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M"	0
"977923"	858.07941	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-H2O-H"	-19.01839
"66164"	583.724590666667	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M-3H"	-3.021828
"504386"	876.090524	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M-3H"	-3.021828
"886806"	291.358657333333	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-3H"	-3.021828
"15358"	876.090524	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M-2H"	-2.014552
"455236"	1314.639424	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M-2H"	-2.014552
"832511"	437.541624	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-2H"	-2.014552
"93432"	1753.188324	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M-H"	-1.007276
"532141"	2630.286124	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M-H"	-1.007276
"907757"	876.090524	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-H"	-1.007276
"57760"	1770.214871	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M-2H+NH4"	16.019271
"494041"	2647.312671	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M-2H+NH4"	16.019271
"878652"	893.117071	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-2H+NH4"	16.019271
"40837"	1775.170266	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M-2H+Na"	20.974666
"483678"	2652.268066	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M-2H+Na"	20.974666
"863544"	898.072466	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-2H+Na"	20.974666
"1628830"	898.072466	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Na-2H"	20.974666
"99894"	894.078863	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M-H+Cl"	33.962126
"538725"	1332.627763	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M-H+Cl"	33.962126
"932967"	455.529963	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-H+Cl"	33.962126
"272253"	1789.165002	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+Cl"	34.969402
"666132"	2666.262802	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+Cl"	34.969402
"1276715"	912.067202	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Cl"	34.969402
"22189"	1791.144206	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M-2H+K"	36.948606
"461754"	2668.242006	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M-2H+K"	36.948606
"837733"	914.046406	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-2H+K"	36.948606
"1557208"	914.046406	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+K-2H"	36.948606
"949833"	922.095994	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-H+HCOOH"	44.998194
"369140"	1799.193801	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+HCOOH-H"	44.998201
"354120"	1813.209451	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+Hac-H"	59.013851
"1497849"	936.111651	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Hac-H"	59.013851
"963204"	944.077951	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-H+NaCOOH"	66.980151
"115391"	912.067202	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+2Cl"	69.938804
"553492"	1350.616102	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+2Cl"	69.938804
"1027758"	473.518302	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2Cl"	69.938804
"1245153"	956.016685	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Br"	78.918885
"1308693"	958.072672	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Cl+HCOOH"	80.974872
"1327283"	980.054629	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Cl+NaCOOH"	102.956829
"919436"	990.083386	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M-H+CF3COOH"	112.985586
"1298333"	1026.060064	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Cl+CF3COOH"	148.962264
"1378680"	842.085124	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H-2H2O"	-35.012676
"1389615"	860.0951	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H-H2O"	-17.0027
"286747"	1755.202876	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+H"	1.007276
"680261"	2632.300676	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+H"	1.007276
"1362445"	878.105076	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H"	1.007276
"137527"	878.105076	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+2H"	2.014552
"577087"	1316.653976	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+2H"	2.014552
"1046978"	439.556176	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2H"	2.014552
"215971"	585.739142666667	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+3H"	3.021828
"656625"	878.105076	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+3H"	3.021828
"1171468"	293.373209333333	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+3H"	3.021828
"428183"	1772.229423	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+NH4"	18.033823
"788819"	2649.327223	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+NH4"	18.033823
"1684421"	895.131623	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+NH4"	18.033823
"334888"	886.6183495	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+H+NH4"	19.041099
"723089"	1325.1672495	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+H+NH4"	19.041099
"1478941"	448.0694495	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H+NH4"	19.041099
"403096"	1777.184818	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+Na"	22.989218
"756435"	2654.282618	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+Na"	22.989218
"1605627"	900.087018	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Na"	22.989218
"323322"	889.096047	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+H+Na"	23.996494
"714647"	1327.644947	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+H+Na"	23.996494
"1470655"	450.547147	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H+Na"	23.996494
"1059525"	300.700523333333	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2H+Na"	25.00377
"1271049"	910.131286	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+CH3OH+H"	33.033486
"391082"	1793.158758	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+K"	38.963158
"748432"	2670.256558	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+K"	38.963158
"1549390"	916.060958	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+K"	38.963158
"308754"	897.083017	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+H+K"	39.970434
"697893"	1335.631917	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+H+K"	39.970434
"1461273"	458.534117	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H+K"	39.970434
"241419"	1796.229426	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+ACN+H"	42.033826
"1217418"	919.131626	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+ACN+H"	42.033826
"1204579"	460.069451	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+ACN+2H"	43.041102
"201472"	1799.16676	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+2Na-H"	44.97116
"643600"	2676.26456	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+2Na-H"	44.97116
"1146729"	922.06896	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2Na-H"	44.97116
"188370"	900.087018	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+2Na"	45.978436
"628250"	1338.635918	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+2Na"	45.978436
"1130905"	461.538118	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2Na"	45.978436
"1413326"	308.027837333333	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H+2Na"	46.985712
"1444592"	924.110546	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H+HCOOH"	47.012746
"231852"	905.12004	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+3H2O+2H"	56.04448
"1520280"	938.16259	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+IsoProp+H"	61.06479
"418870"	908.073988	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+Na+K"	61.952376
"778772"	1346.622888	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+Na+K"	61.952376
"1676197"	469.525088	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Na+K"	61.952376
"259435"	1818.211368	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+ACN+Na"	64.015768
"1232144"	941.113568	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+ACN+Na"	64.015768
"1718842"	941.137093	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+NH4+HCOOH"	64.039293
"1184195"	315.355151333333	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+3Na"	68.967654
"1659556"	946.092488	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Na+HCOOH"	68.994688
"168606"	1831.11464	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+2K-H"	76.91904
"608168"	2708.21244	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+2K-H"	76.91904
"1091586"	954.01684	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2K-H"	76.91904
"155826"	916.060958	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"2M+2K"	77.926316
"596596"	1354.609858	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"3M+2K"	77.926316
"1083538"	477.512058	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2K"	77.926316
"1115168"	956.031392	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2K+H"	78.933592
"1349608"	956.119007	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+DMSO+H"	79.021207
"1019353"	960.158176	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2ACN+H"	83.060376
"1537962"	961.151808	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+IsoProp+Na+H"	84.054008
"999552"	480.582726	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+2ACN+2H"	84.067652
"1600614"	962.066428	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+K+HCOOH"	84.968628
"1425181"	992.097938	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+H+CF3COOH"	115.000138
"1159842"	501.096001	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+3ACN+2H"	125.094202
"1706111"	1009.124485	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+NH4+CF3COOH"	132.026685
"1637388"	1014.07988	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+Na+CF3COOH"	136.98208
"1575226"	1030.05382	"C07347"	"Thiophene-2-carbonyl-CoA"	"C26H38N7O17P3S2"	"877.0978"	"M+K+CF3COOH"	152.95602
"812153"	893.0928	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M"	0
"976940"	874.07441	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-H2O-H"	-19.01839
"66274"	594.387924	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M-3H"	-3.021828
"509115"	892.085524	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M-3H"	-3.021828
"883637"	296.690324	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-3H"	-3.021828
"15260"	892.085524	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M-2H"	-2.014552
"455264"	1338.631924	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M-2H"	-2.014552
"832214"	445.539124	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-2H"	-2.014552
"94073"	1785.178324	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M-H"	-1.007276
"533635"	2678.271124	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M-H"	-1.007276
"907868"	892.085524	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-H"	-1.007276
"57870"	1802.204871	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M-2H+NH4"	16.019271
"494151"	2695.297671	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M-2H+NH4"	16.019271
"875234"	909.112071	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-2H+NH4"	16.019271
"39854"	1807.160266	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M-2H+Na"	20.974666
"484885"	2700.253066	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M-2H+Na"	20.974666
"859402"	914.067466	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-2H+Na"	20.974666
"1630033"	914.067466	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Na-2H"	20.974666
"104374"	910.073863	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M-H+Cl"	33.962126
"545028"	1356.620263	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M-H+Cl"	33.962126
"937448"	463.527463	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-H+Cl"	33.962126
"272723"	1821.155002	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+Cl"	34.969402
"666242"	2714.247802	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+Cl"	34.969402
"1276460"	928.062202	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Cl"	34.969402
"20111"	1823.134206	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M-2H+K"	36.948606
"460770"	2716.227006	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M-2H+K"	36.948606
"837479"	930.041406	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-2H+K"	36.948606
"1560236"	930.041406	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+K-2H"	36.948606
"950672"	938.090994	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-H+HCOOH"	44.998194
"363782"	1831.183801	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+HCOOH-H"	44.998201
"355323"	1845.199451	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+Hac-H"	59.013851
"1497229"	952.106651	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Hac-H"	59.013851
"965136"	960.072951	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-H+NaCOOH"	66.980151
"116594"	928.062202	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+2Cl"	69.938804
"552508"	1374.608602	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+2Cl"	69.938804
"1024588"	481.515802	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2Cl"	69.938804
"1244534"	972.011685	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Br"	78.918885
"1307710"	974.067672	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Cl+HCOOH"	80.974872
"1325207"	996.049629	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Cl+NaCOOH"	102.956829
"916266"	1006.078386	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M-H+CF3COOH"	112.985586
"1294069"	1042.055064	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Cl+CF3COOH"	148.962264
"1378790"	858.080124	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H-2H2O"	-35.012676
"1389725"	876.0901	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H-H2O"	-17.0027
"289409"	1787.192876	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+H"	1.007276
"678550"	2680.285676	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+H"	1.007276
"1361462"	894.100076	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H"	1.007276
"137637"	894.100076	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+2H"	2.014552
"578655"	1340.646476	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+2H"	2.014552
"1049275"	447.553676	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2H"	2.014552
"216081"	596.402476	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+3H"	3.021828
"656735"	894.100076	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+3H"	3.021828
"1171578"	298.704876	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+3H"	3.021828
"426837"	1804.219423	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+NH4"	18.033823
"789658"	2697.312223	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+NH4"	18.033823
"1686718"	911.126623	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+NH4"	18.033823
"334998"	902.6133495	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+H+NH4"	19.041099
"723528"	1349.1597495	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+H+NH4"	19.041099
"1481238"	456.0669495	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H+NH4"	19.041099
"402112"	1809.174818	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+Na"	22.989218
"760917"	2702.267618	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+Na"	22.989218
"1607922"	916.082018	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Na"	22.989218
"319052"	905.091047	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+H+Na"	23.996494
"709286"	1351.637447	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+H+Na"	23.996494
"1461765"	458.544647	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H+Na"	23.996494
"1060727"	306.03219	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2H+Na"	25.00377
"1263497"	926.126286	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+CH3OH+H"	33.033486
"384263"	1825.148758	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+K"	38.963158
"745256"	2718.241558	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+K"	38.963158
"1548404"	932.055958	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+K"	38.963158
"308862"	913.078017	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+H+K"	39.970434
"702376"	1359.624417	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+H+K"	39.970434
"1460663"	466.531617	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H+K"	39.970434
"239342"	1828.219426	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+ACN+H"	42.033826
"1219714"	935.126626	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+ACN+H"	42.033826
"1205782"	468.066951	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+ACN+2H"	43.041102
"202310"	1831.15676	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+2Na-H"	44.97116
"643830"	2724.24956	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+2Na-H"	44.97116
"1146238"	938.06396	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2Na-H"	44.97116
"188154"	916.082018	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+2Na"	45.978436
"627752"	1362.628418	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+2Na"	45.978436
"1130772"	469.535618	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2Na"	45.978436
"1412828"	313.359504	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H+2Na"	46.985712
"1445475"	940.105546	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H+HCOOH"	47.012746
"234149"	921.11504	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+3H2O+2H"	56.04448
"1521482"	954.15759	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+IsoProp+H"	61.06479
"420073"	924.068988	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+Na+K"	61.952376
"783255"	1370.615388	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+Na+K"	61.952376
"1676306"	477.522588	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Na+K"	61.952376
"261732"	1850.201368	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+ACN+Na"	64.015768
"1235534"	957.108568	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+ACN+Na"	64.015768
"1725512"	957.132093	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+NH4+HCOOH"	64.039293
"1186492"	320.686818	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+3Na"	68.967654
"1661853"	962.087488	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Na+HCOOH"	68.994688
"166529"	1863.10464	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+2K-H"	76.91904
"609371"	2756.19744	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+2K-H"	76.91904
"1086955"	970.01184	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2K-H"	76.91904
"155328"	932.055958	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"2M+2K"	77.926316
"596347"	1378.602358	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"3M+2K"	77.926316
"1083973"	485.509558	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2K"	77.926316
"1114796"	972.026392	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2K+H"	78.933592
"1350452"	972.114007	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+DMSO+H"	79.021207
"1020440"	976.153176	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2ACN+H"	83.060376
"1537951"	977.146808	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+IsoProp+Na+H"	84.054008
"1003915"	488.580226	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+2ACN+2H"	84.067652
"1600360"	978.061428	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+K+HCOOH"	84.968628
"1425290"	1008.092938	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+H+CF3COOH"	115.000138
"1157764"	509.093501	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+3ACN+2H"	125.094202
"1706221"	1025.119485	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+NH4+CF3COOH"	132.026685
"1637498"	1030.07488	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+Na+CF3COOH"	136.98208
"1575336"	1046.04882	"C07348"	"5-Hydroxythiophene-2-carbonyl-CoA"	"C26H38N7O18P3S2"	"893.0928"	"M+K+CF3COOH"	152.95602
"812263"	452.1848	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M"	0
"979237"	433.16641	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-H2O-H"	-19.01839
"67477"	300.449257333333	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M-3H"	-3.021828
"509225"	451.177524	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M-3H"	-3.021828
"883747"	149.720990666667	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-3H"	-3.021828
"13991"	451.177524	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M-2H"	-2.014552
"455252"	677.269924	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M-2H"	-2.014552
"832081"	225.085124	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-2H"	-2.014552
"93413"	903.362324	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M-H"	-1.007276
"533338"	1355.547124	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M-H"	-1.007276
"903604"	451.177524	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-H"	-1.007276
"53606"	920.388871	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M-2H+NH4"	16.019271
"493168"	1372.573671	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M-2H+NH4"	16.019271
"874251"	468.204071	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-2H+NH4"	16.019271
"39964"	925.344266	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M-2H+Na"	20.974666
"486088"	1377.529066	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M-2H+Na"	20.974666
"857326"	473.159466	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-2H+Na"	20.974666
"1630142"	473.159466	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Na-2H"	20.974666
"105577"	469.165863	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M-H+Cl"	33.962126
"546231"	695.258263	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M-H+Cl"	33.962126
"939745"	243.073463	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-H+Cl"	33.962126
"273928"	939.339002	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+Cl"	34.969402
"666352"	1391.523802	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+Cl"	34.969402
"1276570"	487.154202	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Cl"	34.969402
"22408"	941.318206	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M-2H+K"	36.948606
"455846"	1393.503006	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M-2H+K"	36.948606
"835397"	489.133406	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-2H+K"	36.948606
"1562169"	489.133406	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+K-2H"	36.948606
"952240"	497.182994	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-H+HCOOH"	44.998194
"366080"	949.367801	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+HCOOH-H"	44.998201
"357256"	963.383451	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+Hac-H"	59.013851
"1500986"	511.198651	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Hac-H"	59.013851
"967434"	519.164951	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-H+NaCOOH"	66.980151
"115611"	487.154202	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+2Cl"	69.938804
"556994"	713.246602	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+2Cl"	69.938804
"1022877"	261.061802	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2Cl"	69.938804
"1244280"	531.103685	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Br"	78.918885
"1314382"	533.159672	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Cl+HCOOH"	80.974872
"1325317"	555.141629	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Cl+NaCOOH"	102.956829
"920022"	565.170386	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M-H+CF3COOH"	112.985586
"1293085"	601.147064	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Cl+CF3COOH"	148.962264
"1372338"	417.172124	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H-2H2O"	-35.012676
"1386553"	435.1821	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H-H2O"	-17.0027
"283321"	905.376876	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+H"	1.007276
"678660"	1357.561676	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+H"	1.007276
"1361572"	453.192076	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H"	1.007276
"138477"	453.192076	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+2H"	2.014552
"578400"	679.284476	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+2H"	2.014552
"1051208"	227.099676	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2H"	2.014552
"215098"	302.463809333333	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+3H"	3.021828
"655752"	453.192076	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+3H"	3.021828
"1173876"	151.735542666667	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+3H"	3.021828
"428406"	922.403423	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+NH4"	18.033823
"787218"	1374.588223	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+NH4"	18.033823
"1685735"	470.218623	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+NH4"	18.033823
"335108"	461.7053495	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+H+NH4"	19.041099
"723152"	687.7977495	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+H+NH4"	19.041099
"1479161"	235.6129495	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H+NH4"	19.041099
"401128"	927.358818	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+Na"	22.989218
"761027"	1379.543618	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+Na"	22.989218
"1605846"	475.174018	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Na"	22.989218
"319161"	464.183047	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+H+Na"	23.996494
"710489"	690.275447	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+H+Na"	23.996494
"1461711"	238.090647	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H+Na"	23.996494
"1062660"	159.062856666667	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2H+Na"	25.00377
"1264700"	485.218286	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+CH3OH+H"	33.033486
"384373"	943.332758	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+K"	38.963158
"746459"	1395.517558	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+K"	38.963158
"1549244"	491.147958	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+K"	38.963158
"308971"	472.170017	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+H+K"	39.970434
"702484"	698.262417	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+H+K"	39.970434
"1457041"	246.077617	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H+K"	39.970434
"242732"	946.403426	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+ACN+H"	42.033826
"1222004"	494.218626	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+ACN+H"	42.033826
"1198232"	247.612951	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+ACN+2H"	43.041102
"200956"	949.34076	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+2Na-H"	44.97116
"638329"	1401.52556	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+2Na-H"	44.97116
"1145848"	497.15596	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2Na-H"	44.97116
"185491"	475.174018	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+2Na"	45.978436
"627606"	701.266418	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+2Na"	45.978436
"1129287"	249.081618	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2Na"	45.978436
"1411718"	166.390170666667	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H+2Na"	46.985712
"1443832"	499.197546	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H+HCOOH"	47.012746
"230247"	480.20704	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+3H2O+2H"	56.04448
"1517215"	513.24959	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+IsoProp+H"	61.06479
"415808"	483.160988	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+Na+K"	61.952376
"780084"	709.253388	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+Na+K"	61.952376
"1673136"	257.068588	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Na+K"	61.952376
"261843"	968.385368	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+ACN+Na"	64.015768
"1232364"	516.200568	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+ACN+Na"	64.015768
"1720157"	516.224093	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+NH4+HCOOH"	64.039293
"1189883"	173.717484666667	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+3Na"	68.967654
"1659777"	521.179488	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Na+HCOOH"	68.994688
"166639"	981.28864	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+2K-H"	76.91904
"609481"	1433.47344	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+2K-H"	76.91904
"1091806"	529.10384	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2K-H"	76.91904
"154090"	491.147958	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"2M+2K"	77.926316
"596858"	717.240358	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"3M+2K"	77.926316
"1082793"	265.055558	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2K"	77.926316
"1115604"	531.118392	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2K+H"	78.933592
"1348856"	531.206007	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+DMSO+H"	79.021207
"1020423"	535.245176	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2ACN+H"	83.060376
"1537576"	536.238808	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+IsoProp+Na+H"	84.054008
"1003904"	268.126226	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+2ACN+2H"	84.067652
"1600834"	537.153428	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+K+HCOOH"	84.968628
"1425400"	567.184938	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+H+CF3COOH"	115.000138
"1158968"	288.639501	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+3ACN+2H"	125.094202
"1706331"	584.211485	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+NH4+CF3COOH"	132.026685
"1638701"	589.16688	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+Na+CF3COOH"	136.98208
"1573257"	605.14082	"C07349"	"3-Demethylstaurosporine;3-Demethoxy-3-hydroxystaurosporine"	"C27H24N4O3"	"452.1848"	"M+K+CF3COOH"	152.95602
"812373"	210.0892	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M"	0
"980440"	191.07081	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-H2O-H"	-19.01839
"67587"	139.052190666667	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M-3H"	-3.021828
"503178"	209.081924	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M-3H"	-3.021828
"887137"	69.0224573333333	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-3H"	-3.021828
"13370"	209.081924	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M-2H"	-2.014552
"454393"	314.126524	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M-2H"	-2.014552
"831584"	104.037324	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-2H"	-2.014552
"92183"	419.171124	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M-H"	-1.007276
"531015"	629.260324	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M-H"	-1.007276
"906994"	209.081924	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-H"	-1.007276
"55904"	436.197671	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M-2H+NH4"	16.019271
"497653"	646.286871	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M-2H+NH4"	16.019271
"875455"	226.108471	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-2H+NH4"	16.019271
"38982"	441.153066	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M-2H+Na"	20.974666
"484011"	651.242266	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M-2H+Na"	20.974666
"856344"	231.063866	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-2H+Na"	20.974666
"1628066"	231.063866	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Na-2H"	20.974666
"106783"	227.070263	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M-H+Cl"	33.962126
"546342"	332.114863	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M-H+Cl"	33.962126
"938762"	122.025663	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-H+Cl"	33.962126
"276225"	455.147802	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+Cl"	34.969402
"669742"	665.237002	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+Cl"	34.969402
"1281055"	245.058602	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Cl"	34.969402
"21422"	457.127006	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M-2H+K"	36.948606
"457704"	667.216206	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M-2H+K"	36.948606
"835507"	247.037806	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-2H+K"	36.948606
"1567748"	247.037806	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+K-2H"	36.948606
"951986"	255.087394	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-H+HCOOH"	44.998194
"369470"	465.176601	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+HCOOH-H"	44.998201
"358825"	479.192251	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+Hac-H"	59.013851
"1505470"	269.103051	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Hac-H"	59.013851
"970825"	277.069351	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-H+NaCOOH"	66.980151
"119732"	245.058602	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+2Cl"	69.938804
"554918"	350.103202	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+2Cl"	69.938804
"1022987"	140.014002	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2Cl"	69.938804
"1242931"	289.008085	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Br"	78.918885
"1311212"	291.064072	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Cl+HCOOH"	80.974872
"1325427"	313.046029	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Cl+NaCOOH"	102.956829
"916852"	323.074786	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M-H+CF3COOH"	112.985586
"1295382"	359.051464	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Cl+CF3COOH"	148.962264
"1376823"	175.076524	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H-2H2O"	-35.012676
"1387757"	193.0865	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H-H2O"	-17.0027
"283552"	421.185676	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+H"	1.007276
"677677"	631.274876	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+H"	1.007276
"1359495"	211.096476	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H"	1.007276
"139680"	211.096476	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+2H"	2.014552
"580336"	316.141076	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+2H"	2.014552
"1050590"	106.051876	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2H"	2.014552
"217396"	141.066742666667	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+3H"	3.021828
"654769"	211.096476	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+3H"	3.021828
"1171800"	71.0370093333333	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+3H"	3.021828
"429610"	438.212223	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+NH4"	18.033823
"789514"	648.301423	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+NH4"	18.033823
"1686938"	228.123023	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+NH4"	18.033823
"334125"	219.6097495	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+H+NH4"	19.041099
"725450"	324.6543495	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+H+NH4"	19.041099
"1477812"	114.5651495	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H+NH4"	19.041099
"401237"	443.167618	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+Na"	22.989218
"758950"	653.256818	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+Na"	22.989218
"1605955"	233.078418	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Na"	22.989218
"317084"	222.087447	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+H+Na"	23.996494
"709506"	327.132047	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+H+Na"	23.996494
"1462231"	117.042847	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H+Na"	23.996494
"1061313"	78.3643233333333	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2H+Na"	25.00377
"1264811"	243.122686	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+CH3OH+H"	33.033486
"382291"	459.141558	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+K"	38.963158
"749487"	669.230758	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+K"	38.963158
"1551177"	249.052358	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+K"	38.963158
"311271"	230.074417	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+H+K"	39.970434
"702597"	335.119017	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+H+K"	39.970434
"1458244"	125.029817	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H+K"	39.970434
"248310"	462.212226	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+ACN+H"	42.033826
"1216646"	252.123026	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+ACN+H"	42.033826
"1199436"	126.565151	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+ACN+2H"	43.041102
"202161"	465.14956	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+2Na-H"	44.97116
"643177"	675.23876	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+2Na-H"	44.97116
"1146442"	255.06036	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2Na-H"	44.97116
"188032"	233.078418	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+2Na"	45.978436
"628206"	338.123018	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+2Na"	45.978436
"1130737"	128.033818	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2Na"	45.978436
"1413287"	85.6916373333333	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H+2Na"	46.985712
"1445037"	257.101946	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H+HCOOH"	47.012746
"230357"	238.11144	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+3H2O+2H"	56.04448
"1518417"	271.15399	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+IsoProp+H"	61.06479
"417010"	241.065388	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+Na+K"	61.952376
"779101"	346.109988	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+Na+K"	61.952376
"1674340"	136.020788	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Na+K"	61.952376
"263776"	484.194168	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+ACN+Na"	64.015768
"1232474"	274.104968	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+ACN+Na"	64.015768
"1720267"	274.128493	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+NH4+HCOOH"	64.039293
"1189993"	93.0189513333333	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+3Na"	68.967654
"1658794"	279.083888	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Na+HCOOH"	68.994688
"163469"	497.09744	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+2K-H"	76.91904
"606311"	707.18664	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+2K-H"	76.91904
"1093009"	287.00824	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2K-H"	76.91904
"154200"	249.052358	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"2M+2K"	77.926316
"596723"	354.096958	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"3M+2K"	77.926316
"1084084"	144.007758	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2K"	77.926316
"1115131"	289.022792	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2K+H"	78.933592
"1350910"	289.110407	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+DMSO+H"	79.021207
"1020897"	293.149576	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2ACN+H"	83.060376
"1536713"	294.143208	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+IsoProp+Na+H"	84.054008
"1002068"	147.078426	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+2ACN+2H"	84.067652
"1599851"	295.057828	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+K+HCOOH"	84.968628
"1426604"	325.089338	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+H+CF3COOH"	115.000138
"1160171"	167.591701	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+3ACN+2H"	125.094202
"1703161"	342.115885	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+NH4+CF3COOH"	132.026685
"1644279"	347.07128	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+Na+CF3COOH"	136.98208
"1575554"	363.04522	"C07350"	"Phlorisovalerophenone;3-Methyl-1-(246-trihydroxyphenyl)butan-1-one"	"C11H14O4"	"210.0892"	"M+K+CF3COOH"	152.95602
"815763"	196.0736	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M"	0
"979456"	177.05521	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"69884"	129.708457333333	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"507621"	195.066324	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"891621"	64.3505906666667	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"11293"	195.066324	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"450853"	293.103124	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"831938"	97.029524	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"91563"	391.139924	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"532947"	587.213524	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"903823"	195.066324	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"57106"	408.166471	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"497763"	604.240071	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"872285"	212.092871	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"37997"	413.121866	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"479747"	609.195466	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"856453"	217.048266	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1629270"	217.048266	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"103611"	213.054663	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"548032"	311.091463	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"935591"	115.017863	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"271961"	427.116602	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"669852"	623.190202	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1285538"	231.043002	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"19345"	429.095806	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"458907"	625.169406	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"835617"	233.022206	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1567856"	233.022206	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"954647"	241.071794	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"369580"	437.145401	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"355655"	451.161051	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1496468"	255.087451	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"961822"	263.053751	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"114740"	231.043002	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"551383"	329.079802	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1023826"	133.006202	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1243040"	274.992485	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1306218"	277.048472	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1322256"	299.030429	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"914406"	309.059186	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1295489"	345.035864	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1374746"	161.060924	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1390053"	179.0709	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"284392"	393.154476	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"676323"	589.228076	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1359605"	197.080876	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"137968"	197.080876	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"579350"	295.117676	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1052160"	99.044076	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"217870"	131.723009333333	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"653785"	197.080876	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1170816"	66.3651426666667	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"431906"	410.181023	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"792905"	606.254623	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1690329"	214.107423	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"336421"	205.5941495	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"728840"	303.6309495	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1480474"	107.5573495	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"399163"	415.136418	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"761247"	611.210018	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1608252"	219.062818	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"321567"	208.071847	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"711803"	306.108647	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1466716"	110.035047	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1059964"	73.6924566666667	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1263829"	229.107086	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"384588"	431.110358	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"751055"	627.183958	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1554203"	235.036758	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"310651"	216.058817	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"702707"	314.095617	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1456167"	118.022017	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"249878"	434.181026	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1214569"	238.107426	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1200639"	119.557351	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"201179"	437.11836	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"641101"	633.19196	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1144243"	241.04476	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"187535"	219.062818	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"627463"	317.099618	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1130117"	121.026018	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1409752"	81.0197706666667	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1442960"	243.086346	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"227187"	224.09584	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1516340"	257.13839	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"417119"	227.049788	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"777024"	325.086588	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1673356"	129.012988	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"260969"	456.162968	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1230397"	260.089368	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1715274"	260.112893	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1186823"	88.3470846666667	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1658903"	265.068288	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"166858"	469.06624	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"605327"	665.13984	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1093119"	272.99264	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"154310"	235.036758	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"596426"	333.073558	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1083736"	136.999958	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1113540"	275.007192	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1350416"	275.094807	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1019791"	279.133976	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1534637"	280.127608	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"1001085"	140.070626	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1601054"	281.042228	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1426715"	311.073738	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1159188"	160.583901	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1703271"	328.100285	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1644389"	333.05568	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1573842"	349.02962	"C07351"	"Phlorisobutyrophenone;2-Methyl-1-(246-trihydroxyphenyl)-1-propanone"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"812593"	312.2301	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M"	0
"979567"	293.21171	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"66714"	207.146124	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"504451"	311.222824	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"885171"	103.069424	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"10310"	311.222824	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"450964"	467.337874	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"830951"	155.107774	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"90943"	623.452924	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"530505"	935.683024	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"903933"	311.222824	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"55028"	640.479471	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"494593"	952.709571	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"870207"	328.249371	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"37377"	645.434866	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"482043"	957.664966	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"854376"	333.204766	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1632661"	333.204766	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"105908"	329.211163	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"548384"	485.326213	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"931327"	173.096113	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"270977"	659.429602	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"669963"	971.659702	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1284556"	347.199502	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"23830"	661.408806	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"457072"	973.638906	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"836820"	349.178706	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1566873"	349.178706	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"951477"	357.228294	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"369690"	669.458401	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"357951"	683.474051	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1499859"	371.243951	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"966673"	379.210251	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"117767"	347.199502	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"555504"	503.314552	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1022479"	191.084452	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1244244"	391.148985	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1309245"	393.204972	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1323094"	415.186929	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"915975"	425.215686	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1297787"	461.192364	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1373762"	277.217424	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1389434"	295.2274	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"283773"	625.467476	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"676430"	937.697576	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1359715"	313.237376	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"139174"	313.237376	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"579462"	469.352426	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1052271"	157.122326	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"217252"	209.160676	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"653895"	313.237376	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1172019"	105.083976	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"429829"	642.494023	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"789737"	954.724123	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1693357"	330.263923	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"332523"	321.7506495	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"727857"	477.8656995	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1480586"	165.6355995	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"400366"	647.449418	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"761357"	959.679518	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1607269"	335.219318	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"319491"	324.228347	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"711914"	480.343397	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1469014"	168.113297	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1061168"	112.41129	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1268313"	345.263586	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"385792"	663.423358	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"751165"	975.653458	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1555452"	351.193258	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"311491"	332.215317	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"699535"	488.330367	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1456640"	176.100267	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"247435"	666.494026	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1212491"	354.263926	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1197468"	177.635601	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"202383"	669.43136	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"642670"	981.66146	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1145810"	357.20126	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"187646"	335.219318	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"627575"	491.334368	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1130349"	179.104268	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1412048"	119.738604	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1440883"	359.242846	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"230578"	340.25234	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1518275"	373.29489	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"418326"	343.206288	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"778227"	499.321338	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1674560"	187.091238	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"261079"	688.475968	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1231601"	376.245868	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1716113"	376.269393	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1183654"	127.065918	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1655734"	381.224788	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"161502"	701.37924	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"605437"	1013.60934	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1093229"	389.14914	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"152234"	351.193258	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"595807"	507.308308	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1083479"	195.078208	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1114623"	391.163692	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1349435"	391.251307	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1020513"	395.290476	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1534747"	396.284108	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"1000102"	198.148876	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1601165"	397.198728	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1427554"	427.230238	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1159298"	218.662151	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1703381"	444.256785	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1644499"	449.21218	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1574681"	465.18612	"C07354"	"(7S8S)-DiHODE;(9Z12Z)-(7S8S)-Dihydroxyoctadeca-912-dienoic acid;(7S8S9Z12Z)-78-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"812703"	314.2457	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M"	0
"978582"	295.22731	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-H2O-H"	-19.01839
"66824"	208.489857333333	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M-3H"	-3.021828
"510756"	313.238424	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M-3H"	-3.021828
"886373"	103.741290666667	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-3H"	-3.021828
"12242"	313.238424	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M-2H"	-2.014552
"452167"	470.361274	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M-2H"	-2.014552
"827780"	156.115574	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-2H"	-2.014552
"89959"	627.484124	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M-H"	-1.007276
"530981"	941.729824	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M-H"	-1.007276
"908416"	313.238424	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-H"	-1.007276
"56233"	644.510671	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M-2H+NH4"	16.019271
"495796"	958.756371	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M-2H+NH4"	16.019271
"870317"	330.264971	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-2H+NH4"	16.019271
"38217"	649.466066	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M-2H+Na"	20.974666
"482155"	963.711766	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M-2H+Na"	20.974666
"855580"	335.220366	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-2H+Na"	20.974666
"1633501"	335.220366	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Na-2H"	20.974666
"108206"	331.226763	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M-H+Cl"	33.962126
"546671"	488.349613	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M-H+Cl"	33.962126
"933624"	174.103913	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-H+Cl"	33.962126
"274368"	663.460802	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+Cl"	34.969402
"670071"	977.706502	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+Cl"	34.969402
"1287579"	349.215102	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Cl"	34.969402
"29406"	665.440006	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M-2H+K"	36.948606
"468602"	979.685706	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M-2H+K"	36.948606
"844584"	351.194306	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-2H+K"	36.948606
"1566979"	351.194306	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+K-2H"	36.948606
"949392"	359.243894	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-H+HCOOH"	44.998194
"369432"	673.489601	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+HCOOH-H"	44.998201
"358061"	687.505251	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+Hac-H"	59.013851
"1502517"	373.259551	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Hac-H"	59.013851
"971886"	381.225851	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-H+NaCOOH"	66.980151
"124070"	349.215102	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+2Cl"	69.938804
"562902"	506.337952	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+2Cl"	69.938804
"1024776"	192.092252	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2Cl"	69.938804
"1244354"	393.164585	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Br"	78.918885
"1310448"	395.220572	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Cl+HCOOH"	80.974872
"1322111"	417.202529	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Cl+NaCOOH"	102.956829
"921188"	427.231286	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M-H+CF3COOH"	112.985586
"1299720"	463.207964	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Cl+CF3COOH"	148.962264
"1378976"	279.233024	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H-2H2O"	-35.012676
"1392460"	297.243	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H-H2O"	-17.0027
"286678"	629.498676	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+H"	1.007276
"676912"	943.744376	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+H"	1.007276
"1359825"	315.252976	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H"	1.007276
"137459"	315.252976	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+2H"	2.014552
"577749"	472.375826	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+2H"	2.014552
"1050194"	158.130126	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2H"	2.014552
"217241"	210.504409333333	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+3H"	3.021828
"654005"	315.252976	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+3H"	3.021828
"1174683"	105.755842666667	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+3H"	3.021828
"428116"	646.525223	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+NH4"	18.033823
"793128"	960.770923	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+NH4"	18.033823
"1688364"	332.279523	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+NH4"	18.033823
"331174"	323.7662495	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+H+NH4"	19.041099
"726875"	480.8890995	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+H+NH4"	19.041099
"1480695"	166.6433995	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H+NH4"	19.041099
"395005"	651.480618	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+Na"	22.989218
"758186"	965.726318	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+Na"	22.989218
"1605191"	337.234918	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Na"	22.989218
"318507"	326.243947	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+H+Na"	23.996494
"710929"	483.366797	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+H+Na"	23.996494
"1466937"	169.121097	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H+Na"	23.996494
"1056904"	113.083156666667	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2H+Na"	25.00377
"1267332"	347.279186	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+CH3OH+H"	33.033486
"385904"	667.454558	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+K"	38.963158
"751275"	981.700258	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+K"	38.963158
"1554423"	353.208858	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+K"	38.963158
"310871"	334.230917	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+H+K"	39.970434
"700738"	491.353767	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+H+K"	39.970434
"1454563"	177.108067	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H+K"	39.970434
"244265"	670.525226	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+ACN+H"	42.033826
"1211507"	356.279526	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+ACN+H"	42.033826
"1197942"	178.643401	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+ACN+2H"	43.041102
"204254"	673.46256	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+2Na-H"	44.97116
"643717"	987.70826	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+2Na-H"	44.97116
"1145921"	359.21686	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2Na-H"	44.97116
"188366"	337.234918	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+2Na"	45.978436
"627681"	494.357768	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+2Na"	45.978436
"1131068"	180.112068	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2Na"	45.978436
"1412523"	120.410470666667	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H+2Na"	46.985712
"1440992"	361.258446	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H+HCOOH"	47.012746
"229594"	342.26794	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+3H2O+2H"	56.04448
"1522030"	375.31049	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+IsoProp+H"	61.06479
"419531"	345.221888	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+Na+K"	61.952376
"778337"	502.344738	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+Na+K"	61.952376
"1675762"	188.099038	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Na+K"	61.952376
"261916"	692.507168	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+ACN+Na"	64.015768
"1231709"	378.261468	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+ACN+Na"	64.015768
"1722053"	378.284993	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+NH4+HCOOH"	64.039293
"1182669"	127.737784666667	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+3Na"	68.967654
"1655843"	383.240388	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Na+HCOOH"	68.994688
"168171"	705.41044	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+2K-H"	76.91904
"605548"	1019.65614	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+2K-H"	76.91904
"1094434"	391.16474	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2K-H"	76.91904
"153436"	353.208858	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"2M+2K"	77.926316
"595186"	510.331708	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"3M+2K"	77.926316
"1083589"	196.086008	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2K"	77.926316
"1112909"	393.179292	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2K+H"	78.933592
"1349295"	393.266907	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+DMSO+H"	79.021207
"1020012"	397.306076	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2ACN+H"	83.060376
"1537773"	398.299708	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+IsoProp+Na+H"	84.054008
"996931"	199.156676	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+2ACN+2H"	84.067652
"1599088"	399.214328	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+K+HCOOH"	84.968628
"1427664"	429.245838	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+H+CF3COOH"	115.000138
"1159407"	219.669951	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+3ACN+2H"	125.094202
"1703491"	446.272385	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+NH4+CF3COOH"	132.026685
"1641329"	451.22778	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+Na+CF3COOH"	136.98208
"1575155"	467.20172	"C07355"	"(9Z)-(7S8S)-Dihydroxyoctadecenoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoic acid;(Z)-(7S8S)-Dihydroxyoctadeca-9-enoate"	"C18H34O4"	"314.2457"	"M+K+CF3COOH"	152.95602
"816462"	293.1052	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M"	0
"979786"	274.08681	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-H2O-H"	-19.01839
"65111"	194.396190666667	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M-3H"	-3.021828
"507586"	292.097924	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M-3H"	-3.021828
"889763"	96.6944573333333	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-3H"	-3.021828
"13809"	292.097924	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M-2H"	-2.014552
"448995"	438.650524	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M-2H"	-2.014552
"826797"	145.545324	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-2H"	-2.014552
"87881"	585.203124	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M-H"	-1.007276
"532064"	878.308324	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M-H"	-1.007276
"909865"	292.097924	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-H"	-1.007276
"59624"	602.229671	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M-2H+NH4"	16.019271
"495905"	895.334871	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M-2H+NH4"	16.019271
"872614"	309.124471	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-2H+NH4"	16.019271
"42702"	607.185066	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M-2H+Na"	20.974666
"480076"	900.290266	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M-2H+Na"	20.974666
"855689"	314.079866	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-2H+Na"	20.974666
"1628503"	314.079866	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Na-2H"	20.974666
"105032"	310.086263	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M-H+Cl"	33.962126
"545688"	456.638863	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M-H+Cl"	33.962126
"935920"	163.533663	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-H+Cl"	33.962126
"273385"	621.179802	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+Cl"	34.969402
"662526"	914.285002	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+Cl"	34.969402
"1279305"	328.074602	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Cl"	34.969402
"29517"	623.159006	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M-2H+K"	36.948606
"465796"	916.264206	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M-2H+K"	36.948606
"839224"	330.053806	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-2H+K"	36.948606
"1567818"	330.053806	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+K-2H"	36.948606
"948409"	338.103394	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-H+HCOOH"	44.998194
"368813"	631.208601	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+HCOOH-H"	44.998201
"359630"	645.224251	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+Hac-H"	59.013851
"1507001"	352.119051	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Hac-H"	59.013851
"973088"	360.085351	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-H+NaCOOH"	66.980151
"124913"	328.074602	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+2Cl"	69.938804
"564834"	474.627202	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+2Cl"	69.938804
"1027438"	181.522002	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2Cl"	69.938804
"1249203"	372.024085	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Br"	78.918885
"1312745"	374.080072	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Cl+HCOOH"	80.974872
"1321857"	396.062029	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Cl+NaCOOH"	102.956829
"921298"	406.090786	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M-H+CF3COOH"	112.985586
"1300194"	442.067464	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Cl+CF3COOH"	148.962264
"1379086"	258.092524	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H-2H2O"	-35.012676
"1391477"	276.1025	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H-H2O"	-17.0027
"286788"	587.217676	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+H"	1.007276
"679209"	880.322876	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+H"	1.007276
"1361028"	294.112476	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H"	1.007276
"138301"	294.112476	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+2H"	2.014552
"578226"	440.665076	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+2H"	2.014552
"1049940"	147.559876	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2H"	2.014552
"216380"	196.410742666667	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+3H"	3.021828
"657642"	294.112476	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+3H"	3.021828
"1175522"	98.7090093333334	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+3H"	3.021828
"433328"	604.244223	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+NH4"	18.033823
"793233"	897.349423	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+NH4"	18.033823
"1692845"	311.139023	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+NH4"	18.033823
"333474"	302.6257495	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+H+NH4"	19.041099
"729171"	449.1783495	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+H+NH4"	19.041099
"1485180"	156.0731495	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H+NH4"	19.041099
"397302"	609.199618	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+Na"	22.989218
"759390"	902.304818	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+Na"	22.989218
"1606395"	316.094418	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Na"	22.989218
"318619"	305.103447	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+H+Na"	23.996494
"712133"	451.656047	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+H+Na"	23.996494
"1467047"	158.550847	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H+Na"	23.996494
"1058109"	106.036323333333	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2H+Na"	25.00377
"1265254"	326.138686	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+CH3OH+H"	33.033486
"389295"	625.173558	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+K"	38.963158
"742634"	918.278758	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+K"	38.963158
"1553805"	332.068358	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+K"	38.963158
"306243"	313.090417	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+H+K"	39.970434
"703038"	459.643017	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+H+K"	39.970434
"1456496"	166.537817	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H+K"	39.970434
"242189"	628.244226	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+ACN+H"	42.033826
"1213071"	335.139026	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+ACN+H"	42.033826
"1196597"	168.073151	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+ACN+2H"	43.041102
"192748"	631.18156	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+2Na-H"	44.97116
"644019"	924.28676	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+2Na-H"	44.97116
"1145667"	338.07636	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2Na-H"	44.97116
"188109"	316.094418	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+2Na"	45.978436
"627913"	462.647018	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+2Na"	45.978436
"1131315"	169.541818	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2Na"	45.978436
"1412874"	113.363637333333	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H+2Na"	46.985712
"1436729"	340.117946	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H+HCOOH"	47.012746
"228609"	321.12744	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+3H2O+2H"	56.04448
"1519953"	354.16999	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+IsoProp+H"	61.06479
"419640"	324.081388	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+Na+K"	61.952376
"777354"	470.633988	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+Na+K"	61.952376
"1678788"	177.528788	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Na+K"	61.952376
"262026"	650.226168	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+ACN+Na"	64.015768
"1234735"	357.120968	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+ACN+Na"	64.015768
"1722527"	357.144493	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+NH4+HCOOH"	64.039293
"1182779"	120.690951333333	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+3Na"	68.967654
"1655952"	362.099888	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Na+HCOOH"	68.994688
"168281"	663.12944	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+2K-H"	76.91904
"608938"	956.23464	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+2K-H"	76.91904
"1095638"	370.02424	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2K-H"	76.91904
"146987"	332.068358	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"2M+2K"	77.926316
"595055"	478.620958	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"3M+2K"	77.926316
"1080903"	185.515758	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2K"	77.926316
"1111926"	372.038792	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2K+H"	78.933592
"1351029"	372.126407	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+DMSO+H"	79.021207
"1020122"	376.165576	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2ACN+H"	83.060376
"1528406"	377.159208	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+IsoProp+Na+H"	84.054008
"1003602"	188.586426	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+2ACN+2H"	84.067652
"1601021"	378.073828	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+K+HCOOH"	84.968628
"1427045"	408.105338	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+H+CF3COOH"	115.000138
"1162069"	209.099701	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+3ACN+2H"	125.094202
"1706881"	425.131885	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+NH4+CF3COOH"	132.026685
"1644719"	430.08728	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+Na+CF3COOH"	136.98208
"1575994"	446.06122	"C07356"	"Oxaprozin"	"C18H15NO3"	"293.1052"	"M+K+CF3COOH"	152.95602
"816896"	310.2144	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M"	0
"977709"	291.19601	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-H2O-H"	-19.01839
"64492"	205.802324	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M-3H"	-3.021828
"504416"	309.207124	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M-3H"	-3.021828
"886593"	102.397524	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-3H"	-3.021828
"13919"	309.207124	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H"	-2.014552
"446920"	464.314324	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H"	-2.014552
"828001"	154.099924	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-2H"	-2.014552
"89085"	619.421524	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M-H"	-1.007276
"529743"	929.635924	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M-H"	-1.007276
"908517"	309.207124	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-H"	-1.007276
"56453"	636.448071	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+NH4"	16.019271
"491642"	946.662471	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+NH4"	16.019271
"871631"	326.233671	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+NH4"	16.019271
"39532"	641.403466	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+Na"	20.974666
"479094"	951.617866	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+Na"	20.974666
"852519"	331.189066	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+Na"	20.974666
"1625333"	331.189066	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Na-2H"	20.974666
"101863"	327.195463	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M-H+Cl"	33.962126
"544705"	482.302663	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M-H+Cl"	33.962126
"932751"	172.088263	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-H+Cl"	33.962126
"276776"	655.398202	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+Cl"	34.969402
"661907"	965.612602	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+Cl"	34.969402
"1281602"	345.183802	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl"	34.969402
"28534"	657.377406	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+K"	36.948606
"469189"	967.591806	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+K"	36.948606
"842616"	347.163006	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+K"	36.948606
"1559541"	347.163006	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+K-2H"	36.948606
"945237"	355.212594	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-H+HCOOH"	44.998194
"368923"	665.427001	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+HCOOH-H"	44.998201
"357188"	679.442651	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+Hac-H"	59.013851
"1507111"	369.228251	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Hac-H"	59.013851
"970280"	377.194551	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-H+NaCOOH"	66.980151
"123561"	345.183802	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Cl"	69.938804
"564215"	500.291002	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Cl"	69.938804
"1035201"	190.076602	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2Cl"	69.938804
"1253684"	389.133285	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Br"	78.918885
"1312854"	391.189272	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+HCOOH"	80.974872
"1324882"	413.171229	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+NaCOOH"	102.956829
"921404"	423.199986	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M-H+CF3COOH"	112.985586
"1294833"	459.176664	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+CF3COOH"	148.962264
"1371900"	275.201724	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H-2H2O"	-35.012676
"1390494"	293.2117	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H-H2O"	-17.0027
"283982"	621.436076	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+H"	1.007276
"676158"	931.650476	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+H"	1.007276
"1361138"	311.221676	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H"	1.007276
"139140"	311.221676	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+2H"	2.014552
"578700"	466.328876	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+2H"	2.014552
"1051386"	156.114476	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2H"	2.014552
"216855"	207.816876	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+3H"	3.021828
"658609"	311.221676	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+3H"	3.021828
"1174539"	104.412076	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+3H"	3.021828
"432345"	638.462623	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+NH4"	18.033823
"793343"	948.677023	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+NH4"	18.033823
"1692955"	328.248223	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4"	18.033823
"336864"	319.7349495	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+NH4"	19.041099
"729282"	474.8421495	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+NH4"	19.041099
"1486384"	164.6277495	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H+NH4"	19.041099
"400690"	643.418018	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+Na"	22.989218
"759500"	953.632418	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+Na"	22.989218
"1606505"	333.203618	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Na"	22.989218
"319824"	322.212647	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+Na"	23.996494
"715523"	477.319847	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+Na"	23.996494
"1469344"	167.105447	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H+Na"	23.996494
"1059315"	111.73939	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2H+Na"	25.00377
"1265366"	343.247886	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+CH3OH+H"	33.033486
"389405"	659.391958	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+K"	38.963158
"743837"	969.606358	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+K"	38.963158
"1552459"	349.177558	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+K"	38.963158
"309271"	330.199617	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+K"	39.970434
"703879"	485.306817	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+K"	39.970434
"1456606"	175.092417	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H+K"	39.970434
"237925"	662.462626	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+ACN+H"	42.033826
"1212817"	352.248226	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+H"	42.033826
"1197795"	176.627751	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+2H"	43.041102
"193944"	665.39996	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Na-H"	44.97116
"642147"	975.61436	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Na-H"	44.97116
"1144683"	355.18556	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2Na-H"	44.97116
"186515"	333.203618	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Na"	45.978436
"627051"	488.310818	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Na"	45.978436
"1130682"	178.096418	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2Na"	45.978436
"1412620"	119.066704	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H+2Na"	46.985712
"1436839"	357.227146	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H+HCOOH"	47.012746
"228719"	338.23664	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+3H2O+2H"	56.04448
"1516783"	371.27919	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+H"	61.06479
"418657"	341.190588	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+Na+K"	61.952376
"774183"	496.297788	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+Na+K"	61.952376
"1674889"	186.083388	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+K"	61.952376
"260313"	684.444568	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+ACN+Na"	64.015768
"1231929"	374.230168	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+Na"	64.015768
"1720814"	374.253693	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4+HCOOH"	64.039293
"1185076"	126.394018	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+3Na"	68.967654
"1657156"	379.209088	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+HCOOH"	68.994688
"168391"	697.34784	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+2K-H"	76.91904
"605768"	1007.56224	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+2K-H"	76.91904
"1093560"	387.13344	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2K-H"	76.91904
"146004"	349.177558	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"2M+2K"	77.926316
"589938"	504.284758	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"3M+2K"	77.926316
"1072262"	194.070358	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2K"	77.926316
"1110942"	389.147992	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2K+H"	78.933592
"1347328"	389.235607	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+DMSO+H"	79.021207
"1018044"	393.274776	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2ACN+H"	83.060376
"1529609"	394.268408	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+Na+H"	84.054008
"1003710"	197.141026	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+2ACN+2H"	84.067652
"1597121"	395.183028	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+K+HCOOH"	84.968628
"1425698"	425.214538	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+H+CF3COOH"	115.000138
"1160358"	217.654301	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+3ACN+2H"	125.094202
"1706991"	442.241085	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4+CF3COOH"	132.026685
"1644829"	447.19648	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+CF3COOH"	136.98208
"1576105"	463.17042	"C07357"	"(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoic acid;(9Z12Z15Z)-(7S8S)-Dihydroxyoctadeca-91215-trienoate"	"C18H30O4"	"310.2144"	"M+K+CF3COOH"	152.95602
"815221"	286.0509	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M"	0
"976360"	267.03251	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-H2O-H"	-19.01839
"64238"	189.693324	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M-3H"	-3.021828
"504526"	285.043624	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M-3H"	-3.021828
"884516"	94.343024	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-3H"	-3.021828
"14029"	285.043624	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M-2H"	-2.014552
"448123"	428.069074	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M-2H"	-2.014552
"829204"	142.018174	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-2H"	-2.014552
"90288"	571.094524	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M-H"	-1.007276
"530946"	857.145424	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M-H"	-1.007276
"908627"	285.043624	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-H"	-1.007276
"56563"	588.121071	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M-2H+NH4"	16.019271
"490658"	874.171971	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M-2H+NH4"	16.019271
"871741"	302.070171	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-2H+NH4"	16.019271
"39642"	593.076466	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M-2H+Na"	20.974666
"479204"	879.127366	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M-2H+Na"	20.974666
"853722"	307.025566	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-2H+Na"	20.974666
"1622161"	307.025566	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Na-2H"	20.974666
"101973"	303.031963	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M-H+Cl"	33.962126
"538252"	446.057413	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M-H+Cl"	33.962126
"930674"	160.006513	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-H+Cl"	33.962126
"276886"	607.071202	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+Cl"	34.969402
"663840"	893.122102	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+Cl"	34.969402
"1281712"	321.020302	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Cl"	34.969402
"30468"	609.050406	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M-2H+K"	36.948606
"470391"	895.101306	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M-2H+K"	36.948606
"842726"	322.999506	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-2H+K"	36.948606
"1557099"	322.999506	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+K-2H"	36.948606
"947534"	331.049094	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-H+HCOOH"	44.998194
"374137"	617.100001	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+HCOOH-H"	44.998201
"359850"	631.115651	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+Hac-H"	59.013851
"1507222"	345.064751	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Hac-H"	59.013851
"970390"	353.031051	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-H+NaCOOH"	66.980151
"123671"	321.020302	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+2Cl"	69.938804
"564325"	464.045752	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+2Cl"	69.938804
"1033125"	177.994852	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2Cl"	69.938804
"1253794"	364.969785	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Br"	78.918885
"1314055"	367.025772	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Cl+HCOOH"	80.974872
"1323166"	389.007729	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Cl+NaCOOH"	102.956829
"921514"	399.036486	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M-H+CF3COOH"	112.985586
"1293848"	435.013164	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Cl+CF3COOH"	148.962264
"1373101"	251.038224	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H-2H2O"	-35.012676
"1385862"	269.0482	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H-H2O"	-17.0027
"284817"	573.109076	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+H"	1.007276
"677968"	859.159976	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+H"	1.007276
"1361248"	287.058176	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H"	1.007276
"139613"	287.058176	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+2H"	2.014552
"577351"	430.083626	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+2H"	2.014552
"1051252"	144.032726	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2H"	2.014552
"216601"	191.707876	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+3H"	3.021828
"659079"	287.058176	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+3H"	3.021828
"1174649"	96.357576	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+3H"	3.021828
"432455"	590.135623	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+NH4"	18.033823
"793453"	876.186523	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+NH4"	18.033823
"1691972"	304.084723	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+NH4"	18.033823
"340256"	295.5714495	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+H+NH4"	19.041099
"725023"	438.5968995	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+H+NH4"	19.041099
"1481030"	152.5459995	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H+NH4"	19.041099
"398616"	595.091018	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+Na"	22.989218
"766900"	881.141918	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+Na"	22.989218
"1606616"	309.040118	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Na"	22.989218
"319934"	298.049147	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+H+Na"	23.996494
"711260"	441.074597	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+H+Na"	23.996494
"1465080"	155.023697	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H+Na"	23.996494
"1058331"	103.68489	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2H+Na"	25.00377
"1266569"	319.084386	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+CH3OH+H"	33.033486
"389515"	611.064958	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+K"	38.963158
"743946"	897.115858	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+K"	38.963158
"1554389"	325.014058	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+K"	38.963158
"311203"	306.036117	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+H+K"	39.970434
"702163"	449.061567	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+H+K"	39.970434
"1453800"	163.010667	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H+K"	39.970434
"243502"	614.135626	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+ACN+H"	42.033826
"1209986"	328.084726	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+ACN+H"	42.033826
"1196086"	164.546001	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+ACN+2H"	43.041102
"192964"	617.07296	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+2Na-H"	44.97116
"642382"	903.12386	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+2Na-H"	44.97116
"1145403"	331.02206	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2Na-H"	44.97116
"188094"	309.040118	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+2Na"	45.978436
"628265"	452.065568	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+2Na"	45.978436
"1130424"	166.014668	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2Na"	45.978436
"1413342"	111.012204	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H+2Na"	46.985712
"1443877"	333.063646	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H+HCOOH"	47.012746
"230654"	314.07314	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+3H2O+2H"	56.04448
"1521268"	347.11569	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+IsoProp+H"	61.06479
"418768"	317.027088	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+Na+K"	61.952376
"779763"	460.052538	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+Na+K"	61.952376
"1675000"	174.001638	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Na+K"	61.952376
"264799"	636.117568	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+ACN+Na"	64.015768
"1230945"	350.066668	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+ACN+Na"	64.015768
"1724204"	350.090193	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+NH4+HCOOH"	64.039293
"1188466"	118.339518	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+3Na"	68.967654
"1661640"	355.045588	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Na+HCOOH"	68.994688
"171781"	649.02084	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+2K-H"	76.91904
"610981"	935.07174	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+2K-H"	76.91904
"1099138"	362.96994	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2K-H"	76.91904
"154862"	325.014058	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"2M+2K"	77.926316
"592235"	468.039508	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"3M+2K"	77.926316
"1078933"	181.988608	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2K"	77.926316
"1113238"	364.984492	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2K+H"	78.933592
"1349260"	365.072107	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+DMSO+H"	79.021207
"1019246"	369.111276	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2ACN+H"	83.060376
"1537374"	370.104908	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+IsoProp+Na+H"	84.054008
"1004550"	185.059276	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+2ACN+2H"	84.067652
"1599418"	371.019528	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+K+HCOOH"	84.968628
"1426171"	401.051038	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+H+CF3COOH"	115.000138
"1159739"	205.572551	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+3ACN+2H"	125.094202
"1710382"	418.077585	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+NH4+CF3COOH"	132.026685
"1647857"	423.03298	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+Na+CF3COOH"	136.98208
"1576216"	439.00692	"C07359"	"Oxazepam"	"C15H11ClN2O2"	"286.0509"	"M+K+CF3COOH"	152.95602
"815331"	357.2304	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M"	0
"977928"	338.21201	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-H2O-H"	-19.01839
"63983"	237.146324	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M-3H"	-3.021828
"506823"	356.223124	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M-3H"	-3.021828
"887905"	118.069524	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-3H"	-3.021828
"7577"	356.223124	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M-2H"	-2.014552
"448232"	534.838324	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M-2H"	-2.014552
"827127"	177.607924	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-2H"	-2.014552
"84931"	713.453524	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M-H"	-1.007276
"529961"	1070.683924	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M-H"	-1.007276
"909707"	356.223124	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-H"	-1.007276
"57765"	730.480071	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M-2H+NH4"	16.019271
"494047"	1087.710471	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M-2H+NH4"	16.019271
"874038"	373.249671	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-2H+NH4"	16.019271
"40845"	735.435466	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M-2H+Na"	20.974666
"480408"	1092.665866	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M-2H+Na"	20.974666
"853832"	378.205066	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-2H+Na"	20.974666
"1623364"	378.205066	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Na-2H"	20.974666
"102083"	374.211463	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M-H+Cl"	33.962126
"539455"	552.826663	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M-H+Cl"	33.962126
"930784"	195.596263	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-H+Cl"	33.962126
"278092"	749.430202	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+Cl"	34.969402
"669418"	1106.660602	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+Cl"	34.969402
"1282915"	392.199802	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Cl"	34.969402
"30578"	751.409406	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M-2H+K"	36.948606
"469408"	1108.639806	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M-2H+K"	36.948606
"842836"	394.179006	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-2H+K"	36.948606
"1560856"	394.179006	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+K-2H"	36.948606
"950925"	402.228594	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-H+HCOOH"	44.998194
"374612"	759.459001	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+HCOOH-H"	44.998201
"350839"	773.474651	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+Hac-H"	59.013851
"1506606"	416.244251	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Hac-H"	59.013851
"969774"	424.210551	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-H+NaCOOH"	66.980151
"121597"	392.199802	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+2Cl"	69.938804
"562250"	570.815002	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+2Cl"	69.938804
"1033234"	213.584602	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2Cl"	69.938804
"1247346"	436.149285	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Br"	78.918885
"1309063"	438.205272	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Cl+HCOOH"	80.974872
"1325465"	460.187229	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Cl+NaCOOH"	102.956829
"918344"	470.215986	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M-H+CF3COOH"	112.985586
"1293959"	506.192664	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Cl+CF3COOH"	148.962264
"1373212"	322.217724	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H-2H2O"	-35.012676
"1385609"	340.2277	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H-H2O"	-17.0027
"285657"	715.468076	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+H"	1.007276
"678442"	1072.698476	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+H"	1.007276
"1354797"	358.237676	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H"	1.007276
"138264"	358.237676	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+2H"	2.014552
"578189"	536.852876	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+2H"	2.014552
"1051362"	179.622476	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2H"	2.014552
"218901"	239.160876	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+3H"	3.021828
"655546"	358.237676	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+3H"	3.021828
"1176949"	120.084076	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+3H"	3.021828
"433657"	732.494623	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+NH4"	18.033823
"793563"	1089.725023	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+NH4"	18.033823
"1686609"	375.264223	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+NH4"	18.033823
"342188"	366.7509495	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+H+NH4"	19.041099
"725134"	545.3661495	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+H+NH4"	19.041099
"1477861"	188.1357495	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H+NH4"	19.041099
"396539"	737.450018	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+Na"	22.989218
"766646"	1094.680418	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+Na"	22.989218
"1615107"	380.219618	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Na"	22.989218
"320044"	369.228647	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+H+Na"	23.996494
"713557"	547.843847	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+H+Na"	23.996494
"1466283"	190.613447	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H+Na"	23.996494
"1060628"	127.41139	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2H+Na"	25.00377
"1268866"	390.263886	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+CH3OH+H"	33.033486
"388532"	753.423958	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+K"	38.963158
"742234"	1110.654358	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+K"	38.963158
"1555404"	396.193558	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+K"	38.963158
"314109"	377.215617	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+H+K"	39.970434
"702273"	555.830817	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+H+K"	39.970434
"1453910"	198.600417	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H+K"	39.970434
"244706"	756.494626	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+ACN+H"	42.033826
"1212314"	399.264226	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+ACN+H"	42.033826
"1197290"	200.135751	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+ACN+2H"	43.041102
"194167"	759.43196	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+2Na-H"	44.97116
"641032"	1116.66236	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+2Na-H"	44.97116
"1144783"	402.20156	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2Na-H"	44.97116
"188327"	380.219618	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+2Na"	45.978436
"628251"	558.834818	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+2Na"	45.978436
"1130662"	201.604418	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2Na"	45.978436
"1413087"	134.738704	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H+2Na"	46.985712
"1443620"	404.243146	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H+HCOOH"	47.012746
"230764"	385.25264	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+3H2O+2H"	56.04448
"1520650"	418.29519	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+IsoProp+H"	61.06479
"420700"	388.206588	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+Na+K"	61.952376
"783153"	566.821788	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+Na+K"	61.952376
"1672923"	209.591388	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Na+K"	61.952376
"264545"	778.476568	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+ACN+Na"	64.015768
"1229962"	421.246168	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+ACN+Na"	64.015768
"1722857"	421.269693	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+NH4+HCOOH"	64.039293
"1186389"	142.066018	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+3Na"	68.967654
"1660656"	426.225088	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Na+HCOOH"	68.994688
"169704"	791.37984	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+2K-H"	76.91904
"611091"	1148.61024	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+2K-H"	76.91904
"1093780"	434.14944	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2K-H"	76.91904
"154972"	396.193558	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"2M+2K"	77.926316
"591252"	574.808758	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"3M+2K"	77.926316
"1075763"	217.578358	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2K"	77.926316
"1113348"	436.163992	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2K+H"	78.933592
"1347545"	436.251607	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+DMSO+H"	79.021207
"1018262"	440.290776	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2ACN+H"	83.060376
"1537730"	441.284408	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+IsoProp+Na+H"	84.054008
"1003203"	220.649026	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+2ACN+2H"	84.067652
"1598435"	442.199028	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+K+HCOOH"	84.968628
"1425188"	472.230538	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+H+CF3COOH"	115.000138
"1160214"	241.162301	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+3ACN+2H"	125.094202
"1707212"	489.257085	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+NH4+CF3COOH"	132.026685
"1647602"	494.21248	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+Na+CF3COOH"	136.98208
"1576326"	510.18642	"C07360"	"Oxybutynin"	"C22H31NO3"	"357.2304"	"M+K+CF3COOH"	152.95602
"815441"	539.1451	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M"	0
"978038"	520.12671	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-H2O-H"	-19.01839
"63846"	358.422790666667	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M-3H"	-3.021828
"506933"	538.137824	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M-3H"	-3.021828
"888015"	178.707757333333	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-3H"	-3.021828
"1244"	538.137824	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M-2H"	-2.014552
"448342"	807.710374	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M-2H"	-2.014552
"821769"	268.565274	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-2H"	-2.014552
"85041"	1077.282924	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M-H"	-1.007276
"526791"	1616.428024	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M-H"	-1.007276
"907873"	538.137824	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-H"	-1.007276
"60913"	1094.309471	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M-2H+NH4"	16.019271
"497436"	1633.454571	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M-2H+NH4"	16.019271
"876335"	555.164371	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-2H+NH4"	16.019271
"40955"	1099.264866	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M-2H+Na"	20.974666
"482704"	1638.409966	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M-2H+Na"	20.974666
"858314"	560.119766	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-2H+Na"	20.974666
"1624567"	560.119766	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Na-2H"	20.974666
"103286"	556.126163	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M-H+Cl"	33.962126
"539565"	825.698713	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M-H+Cl"	33.962126
"934174"	286.553613	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-H+Cl"	33.962126
"276013"	1113.259602	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+Cl"	34.969402
"669528"	1652.404702	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+Cl"	34.969402
"1283025"	574.114502	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Cl"	34.969402
"31277"	1115.238806	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M-2H+K"	36.948606
"470612"	1654.383906	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M-2H+K"	36.948606
"842946"	576.093706	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-2H+K"	36.948606
"1560966"	576.093706	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+K-2H"	36.948606
"949942"	584.143294	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-H+HCOOH"	44.998194
"371441"	1123.288401	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+HCOOH-H"	44.998201
"352042"	1137.304051	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+Hac-H"	59.013851
"1505260"	598.158951	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Hac-H"	59.013851
"972070"	606.125251	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-H+NaCOOH"	66.980151
"123529"	574.114502	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+2Cl"	69.938804
"563089"	843.687052	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+2Cl"	69.938804
"1033344"	304.541952	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2Cl"	69.938804
"1250735"	618.063985	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Br"	78.918885
"1310630"	620.119972	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Cl+HCOOH"	80.974872
"1325575"	642.101929	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Cl+NaCOOH"	102.956829
"917725"	652.130686	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M-H+CF3COOH"	112.985586
"1292611"	688.107364	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Cl+CF3COOH"	148.962264
"1374416"	504.132424	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H-2H2O"	-35.012676
"1386083"	522.1424	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H-H2O"	-17.0027
"284431"	1079.297476	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+H"	1.007276
"677459"	1618.442576	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+H"	1.007276
"1357093"	540.152376	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H"	1.007276
"140562"	540.152376	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+2H"	2.014552
"579029"	809.724926	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+2H"	2.014552
"1052205"	270.579826	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2H"	2.014552
"219620"	360.437342666667	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+3H"	3.021828
"658207"	540.152376	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+3H"	3.021828
"1176695"	180.722309333333	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+3H"	3.021828
"434860"	1096.324023	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+NH4"	18.033823
"793673"	1635.469123	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+NH4"	18.033823
"1686719"	557.178923	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+NH4"	18.033823
"340476"	548.6656495	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+H+NH4"	19.041099
"733989"	818.2381995	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+H+NH4"	19.041099
"1480157"	279.0930995	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H+NH4"	19.041099
"396649"	1101.279418	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+Na"	22.989218
"766391"	1640.424518	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+Na"	22.989218
"1613395"	562.134318	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Na"	22.989218
"320153"	551.143347	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+H+Na"	23.996494
"712574"	820.715897	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+H+Na"	23.996494
"1468579"	281.570797	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H+Na"	23.996494
"1067296"	188.049623333333	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2H+Na"	25.00377
"1267880"	572.178586	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+CH3OH+H"	33.033486
"388641"	1117.253358	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+K"	38.963158
"743073"	1656.398458	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+K"	38.963158
"1550596"	578.108258	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+K"	38.963158
"314139"	559.130317	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+H+K"	39.970434
"702383"	828.702867	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+H+K"	39.970434
"1452926"	289.557767	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H+K"	39.970434
"248096"	1120.324026	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+ACN+H"	42.033826
"1213517"	581.178926	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+ACN+H"	42.033826
"1199223"	291.093101	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+ACN+2H"	43.041102
"195371"	1123.26136	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+2Na-H"	44.97116
"641142"	1662.40646	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+2Na-H"	44.97116
"1145377"	584.11626	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2Na-H"	44.97116
"185020"	562.134318	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+2Na"	45.978436
"627996"	831.706868	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+2Na"	45.978436
"1130894"	292.561768	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2Na"	45.978436
"1412832"	195.376937333333	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H+2Na"	46.985712
"1440814"	586.157846	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H+HCOOH"	47.012746
"230874"	567.16734	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+3H2O+2H"	56.04448
"1521852"	600.20989	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+IsoProp+H"	61.06479
"421903"	570.121288	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+Na+K"	61.952376
"781077"	839.693838	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+Na+K"	61.952376
"1673033"	300.548738	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Na+K"	61.952376
"262832"	1142.305968	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+ACN+Na"	64.015768
"1232259"	603.160868	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+ACN+Na"	64.015768
"1718958"	603.184393	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+NH4+HCOOH"	64.039293
"1190509"	202.704251333333	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+3Na"	68.967654
"1661860"	608.139788	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Na+HCOOH"	68.994688
"169814"	1155.20924	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+2K-H"	76.91904
"610472"	1694.35434	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+2K-H"	76.91904
"1097170"	616.06414	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2K-H"	76.91904
"154599"	578.108258	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"2M+2K"	77.926316
"594643"	847.680808	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"3M+2K"	77.926316
"1075873"	308.535708	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2K"	77.926316
"1113460"	618.078692	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2K+H"	78.933592
"1349723"	618.166307	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+DMSO+H"	79.021207
"1019711"	622.205476	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2ACN+H"	83.060376
"1536866"	623.199108	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+IsoProp+Na+H"	84.054008
"1002586"	311.606376	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+2ACN+2H"	84.067652
"1601460"	624.113728	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+K+HCOOH"	84.968628
"1426392"	654.145238	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+H+CF3COOH"	115.000138
"1159959"	332.119651	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+3ACN+2H"	125.094202
"1707322"	671.171785	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+NH4+CF3COOH"	132.026685
"1648076"	676.12718	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+Na+CF3COOH"	136.98208
"1576436"	692.10112	"C07361"	"Piperacillin sodium;Pipracil"	"C23H26N5O7SNa"	"539.1451"	"M+K+CF3COOH"	152.95602
"814458"	353.9579	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M"	0
"975962"	334.93951	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-H2O-H"	-19.01839
"63230"	234.964657333333	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M-3H"	-3.021828
"508136"	352.950624	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M-3H"	-3.021828
"888125"	116.978690666667	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-3H"	-3.021828
"504"	352.950624	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M-2H"	-2.014552
"448451"	529.929574	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M-2H"	-2.014552
"821879"	175.971674	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-2H"	-2.014552
"84058"	706.908524	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M-H"	-1.007276
"524714"	1060.866424	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M-H"	-1.007276
"904702"	352.950624	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-H"	-1.007276
"59079"	723.935071	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M-2H+NH4"	16.019271
"496453"	1077.892971	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M-2H+NH4"	16.019271
"877535"	369.977171	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-2H+NH4"	16.019271
"42158"	728.890466	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M-2H+Na"	20.974666
"480627"	1082.848366	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M-2H+Na"	20.974666
"855143"	374.932566	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-2H+Na"	20.974666
"1625770"	374.932566	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Na-2H"	20.974666
"103396"	370.938963	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M-H+Cl"	33.962126
"540769"	547.917913	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M-H+Cl"	33.962126
"929911"	193.960013	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-H+Cl"	33.962126
"273936"	742.885202	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+Cl"	34.969402
"669638"	1096.843102	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+Cl"	34.969402
"1284228"	388.927302	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Cl"	34.969402
"31121"	744.864406	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M-2H+K"	36.948606
"470722"	1098.822306	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M-2H+K"	36.948606
"839775"	390.906506	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-2H+K"	36.948606
"1559982"	390.906506	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+K-2H"	36.948606
"947864"	398.956094	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-H+HCOOH"	44.998194
"373738"	752.914001	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+HCOOH-H"	44.998201
"352152"	766.929651	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+Hac-H"	59.013851
"1505369"	412.971751	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Hac-H"	59.013851
"970722"	420.938051	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-H+NaCOOH"	66.980151
"123638"	388.927302	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+2Cl"	69.938804
"562106"	565.906252	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+2Cl"	69.938804
"1033454"	211.948352	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2Cl"	69.938804
"1248659"	432.876785	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Br"	78.918885
"1307460"	434.932772	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Cl+HCOOH"	80.974872
"1327508"	456.914729	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Cl+NaCOOH"	102.956829
"920751"	466.943486	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M-H+CF3COOH"	112.985586
"1297460"	502.920164	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Cl+CF3COOH"	148.962264
"1374527"	318.945224	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H-2H2O"	-35.012676
"1385828"	336.9552	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H-H2O"	-17.0027
"284054"	708.923076	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+H"	1.007276
"679027"	1062.880976	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+H"	1.007276
"1357203"	354.965176	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H"	1.007276
"141118"	354.965176	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+2H"	2.014552
"578410"	531.944126	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+2H"	2.014552
"1048667"	177.986226	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2H"	2.014552
"212922"	236.979209333333	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+3H"	3.021828
"653577"	354.965176	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+3H"	3.021828
"1172794"	118.993242666667	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+3H"	3.021828
"436065"	725.949623	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+NH4"	18.033823
"792689"	1079.907523	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+NH4"	18.033823
"1685736"	371.991723	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+NH4"	18.033823
"341680"	363.4784495	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+H+NH4"	19.041099
"734099"	540.4573995	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+H+NH4"	19.041099
"1481360"	186.4994995	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H+NH4"	19.041099
"394327"	730.905018	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+Na"	22.989218
"763221"	1084.862918	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+Na"	22.989218
"1612412"	376.947118	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Na"	22.989218
"320263"	365.956147	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+H+Na"	23.996494
"712684"	542.935097	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+H+Na"	23.996494
"1466503"	188.977197	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H+Na"	23.996494
"1065220"	126.320556666667	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2H+Na"	25.00377
"1267990"	386.991386	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+CH3OH+H"	33.033486
"387658"	746.878958	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+K"	38.963158
"742090"	1100.836858	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+K"	38.963158
"1550706"	392.921058	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+K"	38.963158
"305695"	373.943117	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+H+K"	39.970434
"698118"	550.922067	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+H+K"	39.970434
"1453036"	196.964167	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H+K"	39.970434
"249666"	749.949626	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+ACN+H"	42.033826
"1213264"	395.991726	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+ACN+H"	42.033826
"1201519"	198.499501	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+ACN+2H"	43.041102
"194388"	752.88696	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+2Na-H"	44.97116
"640519"	1106.84486	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+2Na-H"	44.97116
"1141838"	398.92906	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2Na-H"	44.97116
"187686"	376.947118	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+2Na"	45.978436
"628222"	553.926068	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+2Na"	45.978436
"1130266"	199.968168	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2Na"	45.978436
"1405163"	133.647870666667	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H+2Na"	46.985712
"1439466"	400.970646	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H+HCOOH"	47.012746
"228066"	381.98014	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+3H2O+2H"	56.04448
"1519046"	415.02269	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+IsoProp+H"	61.06479
"420192"	384.934088	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+Na+K"	61.952376
"783007"	561.913038	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+Na+K"	61.952376
"1677517"	207.955138	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Na+K"	61.952376
"260755"	771.931568	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+ACN+Na"	64.015768
"1231276"	417.973668	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+ACN+Na"	64.015768
"1717974"	417.997193	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+NH4+HCOOH"	64.039293
"1188796"	140.975184666667	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+3Na"	68.967654
"1660877"	422.952588	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Na+HCOOH"	68.994688
"171017"	784.83484	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+2K-H"	76.91904
"610582"	1138.79274	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+2K-H"	76.91904
"1099673"	430.87694	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2K-H"	76.91904
"155192"	392.921058	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"2M+2K"	77.926316
"592565"	569.900008	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"3M+2K"	77.926316
"1077076"	215.942108	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2K"	77.926316
"1103723"	432.891492	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2K+H"	78.933592
"1342295"	432.979107	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+DMSO+H"	79.021207
"1018490"	437.018276	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2ACN+H"	83.060376
"1537700"	438.011908	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+IsoProp+Na+H"	84.054008
"1003061"	219.012776	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+2ACN+2H"	84.067652
"1601572"	438.926528	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+K+HCOOH"	84.968628
"1428689"	468.958038	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+H+CF3COOH"	115.000138
"1162255"	239.526051	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+3ACN+2H"	125.094202
"1707432"	485.984585	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+NH4+CF3COOH"	132.026685
"1648550"	490.93998	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+Na+CF3COOH"	136.98208
"1577639"	506.91392	"C07362"	"Pipobroman"	"C10H16Br2N2O2"	"353.9579"	"M+K+CF3COOH"	152.95602
"815297"	260.1889	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M"	0
"976072"	241.17051	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-H2O-H"	-19.01839
"64312"	172.451990666667	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M-3H"	-3.021828
"511527"	259.181624	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M-3H"	-3.021828
"886048"	85.7223573333333	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-3H"	-3.021828
"2803"	259.181624	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M-2H"	-2.014552
"448561"	389.276074	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M-2H"	-2.014552
"827457"	129.087174	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-2H"	-2.014552
"85262"	519.370524	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M-H"	-1.007276
"527010"	779.559424	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M-H"	-1.007276
"901532"	259.181624	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-H"	-1.007276
"60040"	536.397071	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M-2H+NH4"	16.019271
"495470"	796.585971	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M-2H+NH4"	16.019271
"873272"	276.208171	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-2H+NH4"	16.019271
"37892"	541.352466	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M-2H+Na"	20.974666
"479639"	801.541366	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M-2H+Na"	20.974666
"854161"	281.163566	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-2H+Na"	20.974666
"1628071"	281.163566	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Na-2H"	20.974666
"109224"	277.169963	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M-H+Cl"	33.962126
"549386"	407.264413	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M-H+Cl"	33.962126
"936582"	147.075513	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-H+Cl"	33.962126
"274046"	555.347202	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+Cl"	34.969402
"666468"	815.536102	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+Cl"	34.969402
"1284338"	295.158302	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Cl"	34.969402
"29084"	557.326406	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M-2H+K"	36.948606
"468644"	817.515306	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M-2H+K"	36.948606
"839885"	297.137506	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-2H+K"	36.948606
"1564466"	297.137506	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+K-2H"	36.948606
"951255"	305.187094	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-H+HCOOH"	44.998194
"369472"	565.376001	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+HCOOH-H"	44.998201
"351169"	579.391651	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+Hac-H"	59.013851
"1506567"	319.202751	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Hac-H"	59.013851
"963905"	327.169051	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-H+NaCOOH"	66.980151
"121925"	295.158302	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+2Cl"	69.938804
"562946"	425.252752	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+2Cl"	69.938804
"1034296"	165.063852	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2Cl"	69.938804
"1249864"	339.107785	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Br"	78.918885
"1310124"	341.163772	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Cl+HCOOH"	80.974872
"1321786"	363.145729	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Cl+NaCOOH"	102.956829
"916855"	373.174486	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M-H+CF3COOH"	112.985586
"1296115"	409.151164	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Cl+CF3COOH"	148.962264
"1375734"	225.176224	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H-2H2O"	-35.012676
"1395418"	243.1862	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H-H2O"	-17.0027
"291823"	521.385076	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+H"	1.007276
"676709"	781.573976	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+H"	1.007276
"1361688"	261.196176	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H"	1.007276
"140418"	261.196176	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+2H"	2.014552
"580343"	391.290626	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+2H"	2.014552
"1050967"	131.101726	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2H"	2.014552
"214127"	174.466542666667	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+3H"	3.021828
"654418"	261.196176	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+3H"	3.021828
"1171813"	87.7369093333333	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+3H"	3.021828
"428523"	538.411623	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+NH4"	18.033823
"790613"	798.600523	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+NH4"	18.033823
"1684756"	278.222723	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+NH4"	18.033823
"342519"	269.7094495	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+H+NH4"	19.041099
"735668"	399.8038995	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+H+NH4"	19.041099
"1491311"	139.6149995	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H+NH4"	19.041099
"393589"	543.367018	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+Na"	22.989218
"761144"	803.555918	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+Na"	22.989218
"1613616"	283.178118	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Na"	22.989218
"322560"	272.187147	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+H+Na"	23.996494
"714981"	402.281597	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+H+Na"	23.996494
"1467706"	142.092697	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H+Na"	23.996494
"1065330"	95.0642233333333	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2H+Na"	25.00377
"1269194"	293.222386	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+CH3OH+H"	33.033486
"387768"	559.340958	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+K"	38.963158
"743294"	819.529858	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+K"	38.963158
"1550816"	299.152058	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+K"	38.963158
"305805"	280.174117	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+H+K"	39.970434
"698226"	410.268567	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+H+K"	39.970434
"1454239"	150.079667	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H+K"	39.970434
"250383"	562.411626	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+ACN+H"	42.033826
"1217746"	302.222726	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+ACN+H"	42.033826
"1200534"	151.615001	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+ACN+2H"	43.041102
"194498"	565.34896	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+2Na-H"	44.97116
"638441"	825.53786	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+2Na-H"	44.97116
"1143771"	305.16006	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2Na-H"	44.97116
"185969"	283.178118	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+2Na"	45.978436
"628440"	413.272568	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+2Na"	45.978436
"1131187"	153.083668	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2Na"	45.978436
"1411105"	102.391537333333	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H+2Na"	46.985712
"1439576"	307.201646	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H+HCOOH"	47.012746
"231458"	288.21114	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+3H2O+2H"	56.04448
"1515145"	321.25369	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+IsoProp+H"	61.06479
"419937"	291.165088	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+Na+K"	61.952376
"780931"	421.259538	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+Na+K"	61.952376
"1676533"	161.070638	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Na+K"	61.952376
"260865"	584.393568	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+ACN+Na"	64.015768
"1232479"	324.204668	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+ACN+Na"	64.015768
"1720270"	324.228193	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+NH4+HCOOH"	64.039293
"1189999"	109.718851333333	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+3Na"	68.967654
"1662809"	329.183588	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Na+HCOOH"	68.994688
"167846"	597.29684	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+2K-H"	76.91904
"608505"	857.48574	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+2K-H"	76.91904
"1097390"	337.10794	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2K-H"	76.91904
"149835"	299.152058	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"2M+2K"	77.926316
"592675"	429.246508	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"3M+2K"	77.926316
"1074999"	169.057608	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2K"	77.926316
"1103103"	339.122492	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2K+H"	78.933592
"1343498"	339.210107	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+DMSO+H"	79.021207
"1020778"	343.249276	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2ACN+H"	83.060376
"1537810"	344.242908	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+IsoProp+Na+H"	84.054008
"1004258"	172.128276	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+2ACN+2H"	84.067652
"1596574"	345.157528	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+K+HCOOH"	84.968628
"1421140"	375.189038	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+H+CF3COOH"	115.000138
"1152521"	192.641551	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+3ACN+2H"	125.094202
"1705353"	392.215585	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+NH4+CF3COOH"	132.026685
"1647566"	397.17098	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+Na+CF3COOH"	136.98208
"1577749"	413.14492	"C07363"	"Oxymetazoline;Afrin"	"C16H24N2O"	"260.1889"	"M+K+CF3COOH"	152.95602
"812493"	324.1029	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M"	0
"974722"	305.08451	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-H2O-H"	-19.01839
"63813"	215.061324	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M-3H"	-3.021828
"511637"	323.095624	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M-3H"	-3.021828
"889439"	107.027024	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-3H"	-3.021828
"2549"	323.095624	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M-2H"	-2.014552
"448671"	485.147074	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M-2H"	-2.014552
"826474"	161.044174	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-2H"	-2.014552
"86466"	647.198524	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M-H"	-1.007276
"529307"	971.301424	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M-H"	-1.007276
"901642"	323.095624	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-H"	-1.007276
"58207"	664.225071	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M-2H+NH4"	16.019271
"492301"	988.327971	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M-2H+NH4"	16.019271
"871196"	340.122171	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-2H+NH4"	16.019271
"38002"	669.180466	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M-2H+Na"	20.974666
"476467"	993.283366	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M-2H+Na"	20.974666
"857555"	345.077566	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-2H+Na"	20.974666
"1622711"	345.077566	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Na-2H"	20.974666
"105804"	341.083963	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M-H+Cl"	33.962126
"547552"	503.135413	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M-H+Cl"	33.962126
"935599"	179.032513	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-H+Cl"	33.962126
"274156"	683.175202	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+Cl"	34.969402
"664390"	1007.278102	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+Cl"	34.969402
"1277886"	359.072302	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Cl"	34.969402
"18258"	685.154406	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M-2H+K"	36.948606
"465471"	1009.257306	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M-2H+K"	36.948606
"846189"	361.051506	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-2H+K"	36.948606
"1566763"	361.051506	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+K-2H"	36.948606
"948085"	369.101094	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-H+HCOOH"	44.998194
"367396"	693.204001	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+HCOOH-H"	44.998201
"352373"	707.219651	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+Hac-H"	59.013851
"1504128"	383.116751	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Hac-H"	59.013851
"965839"	391.083051	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-H+NaCOOH"	66.980151
"118755"	359.072302	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+2Cl"	69.938804
"556495"	521.123752	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+2Cl"	69.938804
"1031491"	197.020852	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2Cl"	69.938804
"1248151"	403.021785	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Br"	78.918885
"1311329"	405.077772	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Cl+HCOOH"	80.974872
"1323355"	427.059729	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Cl+NaCOOH"	102.956829
"915143"	437.088486	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M-H+CF3COOH"	112.985586
"1296592"	473.065164	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Cl+CF3COOH"	148.962264
"1375844"	289.090224	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H-2H2O"	-35.012676
"1393341"	307.1002	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H-H2O"	-17.0027
"290840"	649.213076	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+H"	1.007276
"677791"	973.315976	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+H"	1.007276
"1354507"	325.110176	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H"	1.007276
"140896"	325.110176	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+2H"	2.014552
"579724"	487.161626	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+2H"	2.014552
"1049619"	163.058726	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2H"	2.014552
"217154"	217.075876	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+3H"	3.021828
"654893"	325.110176	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+3H"	3.021828
"1170830"	109.041576	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+3H"	3.021828
"429726"	666.239623	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+NH4"	18.033823
"790723"	990.342523	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+NH4"	18.033823
"1685958"	342.136723	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+NH4"	18.033823
"342994"	333.6234495	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+H+NH4"	19.041099
"732135"	495.6748995	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+H+NH4"	19.041099
"1488142"	171.5719995	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H+NH4"	19.041099
"404633"	671.195018	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+Na"	22.989218
"762349"	995.297918	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+Na"	22.989218
"1611540"	347.092118	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Na"	22.989218
"322670"	336.101147	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+H+Na"	23.996494
"712904"	498.152597	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+H+Na"	23.996494
"1467819"	174.049697	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H+Na"	23.996494
"1066533"	116.36889	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2H+Na"	25.00377
"1270397"	357.136386	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+CH3OH+H"	33.033486
"391159"	687.168958	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+K"	38.963158
"744499"	1011.271858	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+K"	38.963158
"1554089"	363.066058	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+K"	38.963158
"309197"	344.088117	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+H+K"	39.970434
"698334"	506.139567	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+H+K"	39.970434
"1458724"	182.036667	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H+K"	39.970434
"248427"	690.239626	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+ACN+H"	42.033826
"1215669"	366.136726	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+ACN+H"	42.033826
"1196270"	183.572001	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+ACN+2H"	43.041102
"191327"	693.17696	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+2Na-H"	44.97116
"636356"	1017.27986	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+2Na-H"	44.97116
"1142418"	369.07406	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2Na-H"	44.97116
"184251"	347.092118	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+2Na"	45.978436
"617619"	509.143568	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+2Na"	45.978436
"1122215"	185.040668	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2Na"	45.978436
"1401731"	123.696204	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H+2Na"	46.985712
"1434211"	371.115646	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H+HCOOH"	47.012746
"222085"	352.12514	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+3H2O+2H"	56.04448
"1515250"	385.16769	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+IsoProp+H"	61.06479
"419314"	355.079088	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+Na+K"	61.952376
"779217"	517.130538	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+Na+K"	61.952376
"1675548"	193.027638	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Na+K"	61.952376
"262067"	712.221568	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+ACN+Na"	64.015768
"1231494"	388.118668	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+ACN+Na"	64.015768
"1714913"	388.142193	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+NH4+HCOOH"	64.039293
"1183548"	131.023518	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+3Na"	68.967654
"1658908"	393.097588	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Na+HCOOH"	68.994688
"163582"	725.12484	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+2K-H"	76.91904
"608615"	1049.22774	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+2K-H"	76.91904
"1094220"	401.02194	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2K-H"	76.91904
"149945"	363.066058	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"2M+2K"	77.926316
"590599"	525.117508	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"3M+2K"	77.926316
"1075109"	201.014608	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2K"	77.926316
"1103213"	403.036492	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2K+H"	78.933592
"1341422"	403.124107	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+DMSO+H"	79.021207
"1017608"	407.163276	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2ACN+H"	83.060376
"1537920"	408.156908	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+IsoProp+Na+H"	84.054008
"1004248"	204.085276	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+2ACN+2H"	84.067652
"1595591"	409.071528	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+K+HCOOH"	84.968628
"1414930"	439.103038	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+H+CF3COOH"	115.000138
"1149350"	224.598551	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+3ACN+2H"	125.094202
"1697061"	456.129585	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+NH4+CF3COOH"	132.026685
"1646583"	461.08498	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+Na+CF3COOH"	136.98208
"1576766"	477.05892	"C07366"	"Prazepam"	"C19H17ClN2O"	"324.1029"	"M+K+CF3COOH"	152.95602
"815517"	312.1838	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M"	0
"977386"	293.16541	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-H2O-H"	-19.01839
"64170"	207.115257333333	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M-3H"	-3.021828
"512841"	311.176524	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M-3H"	-3.021828
"888455"	103.053990666667	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-3H"	-3.021828
"12502"	311.176524	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M-2H"	-2.014552
"450969"	467.268424	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M-2H"	-2.014552
"826585"	155.084624	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-2H"	-2.014552
"88764"	623.360324	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M-H"	-1.007276
"531605"	935.544124	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M-H"	-1.007276
"900659"	311.176524	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-H"	-1.007276
"59410"	640.386871	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M-2H+NH4"	16.019271
"492410"	952.570671	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M-2H+NH4"	16.019271
"873495"	328.203071	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-2H+NH4"	16.019271
"35924"	645.342266	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M-2H+Na"	20.974666
"476577"	957.526066	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M-2H+Na"	20.974666
"858758"	333.158466	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-2H+Na"	20.974666
"1619543"	333.158466	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Na-2H"	20.974666
"104821"	329.164863	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M-H+Cl"	33.962126
"547298"	485.256763	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M-H+Cl"	33.962126
"930242"	173.072963	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-H+Cl"	33.962126
"274266"	659.337002	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+Cl"	34.969402
"664500"	971.520802	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+Cl"	34.969402
"1277997"	347.153202	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Cl"	34.969402
"21649"	661.316206	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M-2H+K"	36.948606
"466675"	973.500006	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M-2H+K"	36.948606
"840104"	349.132406	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-2H+K"	36.948606
"1556420"	349.132406	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+K-2H"	36.948606
"948195"	357.181994	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-H+HCOOH"	44.998194
"371881"	669.365801	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+HCOOH-H"	44.998201
"352483"	683.381451	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+Hac-H"	59.013851
"1502415"	371.197651	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Hac-H"	59.013851
"967773"	379.163951	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-H+NaCOOH"	66.980151
"119959"	347.153202	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+2Cl"	69.938804
"559521"	503.245102	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+2Cl"	69.938804
"1032695"	191.061302	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2Cl"	69.938804
"1250084"	391.102685	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Br"	78.918885
"1308158"	393.158672	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Cl+HCOOH"	80.974872
"1322372"	415.140629	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Cl+NaCOOH"	102.956829
"916713"	425.169386	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M-H+CF3COOH"	112.985586
"1295608"	461.146064	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Cl+CF3COOH"	148.962264
"1374861"	277.171124	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H-2H2O"	-35.012676
"1393087"	295.1811	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H-H2O"	-17.0027
"290950"	625.374876	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+H"	1.007276
"677904"	937.558676	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+H"	1.007276
"1361547"	313.191076	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H"	1.007276
"140761"	313.191076	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+2H"	2.014552
"579469"	469.282976	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+2H"	2.014552
"1049729"	157.099176	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2H"	2.014552
"219452"	209.129809333333	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+3H"	3.021828
"657555"	313.191076	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+3H"	3.021828
"1173492"	105.068542666667	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+3H"	3.021828
"430929"	642.401423	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+NH4"	18.033823
"788644"	954.585223	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+NH4"	18.033823
"1684975"	330.217623	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+NH4"	18.033823
"342011"	321.7043495	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+H+NH4"	19.041099
"732245"	477.7962495	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+H+NH4"	19.041099
"1488252"	165.6124495	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H+NH4"	19.041099
"403650"	647.356818	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+Na"	22.989218
"761365"	959.540618	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+Na"	22.989218
"1611649"	335.173018	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Na"	22.989218
"321689"	324.182047	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+H+Na"	23.996494
"715202"	480.273947	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+H+Na"	23.996494
"1467929"	168.090147	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H+Na"	23.996494
"1065550"	112.395856666667	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2H+Na"	25.00377
"1268321"	345.217286	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+CH3OH+H"	33.033486
"389812"	663.330758	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+K"	38.963158
"744609"	975.514558	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+K"	38.963158
"1552861"	351.146958	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+K"	38.963158
"303840"	332.169017	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+H+K"	39.970434
"696260"	488.260917	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+H+K"	39.970434
"1455554"	176.077117	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H+K"	39.970434
"244158"	666.401426	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+ACN+H"	42.033826
"1210671"	354.217626	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+ACN+H"	42.033826
"1196380"	177.612451	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+ACN+2H"	43.041102
"189734"	669.33876	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+2Na-H"	44.97116
"638653"	981.52256	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+2Na-H"	44.97116
"1143987"	357.15496	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2Na-H"	44.97116
"184363"	335.173018	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+2Na"	45.978436
"618458"	491.264918	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+2Na"	45.978436
"1123055"	179.081118	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2Na"	45.978436
"1402206"	119.723170666667	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H+2Na"	46.985712
"1432863"	359.196546	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H+HCOOH"	47.012746
"222559"	340.20604	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+3H2O+2H"	56.04448
"1514267"	373.24859	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+IsoProp+H"	61.06479
"420517"	343.159988	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+Na+K"	61.952376
"779327"	499.251888	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+Na+K"	61.952376
"1675658"	187.068088	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Na+K"	61.952376
"265456"	688.383368	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+ACN+Na"	64.015768
"1232700"	376.199568	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+ACN+Na"	64.015768
"1721584"	376.223093	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+NH4+HCOOH"	64.039293
"1189125"	127.050484666667	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+3Na"	68.967654
"1659018"	381.178488	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Na+HCOOH"	68.994688
"168066"	701.28664	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+2K-H"	76.91904
"606538"	1013.47044	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+2K-H"	76.91904
"1097248"	389.10284	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2K-H"	76.91904
"153334"	351.146958	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"2M+2K"	77.926316
"593987"	507.238858	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"3M+2K"	77.926316
"1077405"	195.055058	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2K"	77.926316
"1102959"	391.117392	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2K+H"	78.933592
"1345905"	391.205007	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+DMSO+H"	79.021207
"1018811"	395.244176	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2ACN+H"	83.060376
"1538884"	396.237808	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+IsoProp+Na+H"	84.054008
"1004966"	198.125726	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+2ACN+2H"	84.067652
"1601168"	397.152428	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+K+HCOOH"	84.968628
"1422453"	427.183938	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+H+CF3COOH"	115.000138
"1149461"	218.639001	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+3ACN+2H"	125.094202
"1699012"	444.210485	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+NH4+CF3COOH"	132.026685
"1646693"	449.16588	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+Na+CF3COOH"	136.98208
"1576876"	465.13982	"C07367"	"Praziquantel"	"C19H24N2O2"	"312.1838"	"M+K+CF3COOH"	152.95602
"814535"	383.1594	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M"	0
"978589"	364.14101	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-H2O-H"	-19.01839
"63793"	254.432324	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M-3H"	-3.021828
"516231"	382.152124	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M-3H"	-3.021828
"890754"	126.712524	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-3H"	-3.021828
"12612"	382.152124	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M-2H"	-2.014552
"447799"	573.731824	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M-2H"	-2.014552
"826694"	190.572424	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-2H"	-2.014552
"89968"	765.311524	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M-H"	-1.007276
"531715"	1148.470924	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M-H"	-1.007276
"900769"	382.152124	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-H"	-1.007276
"58427"	782.338071	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M-2H+NH4"	16.019271
"491427"	1165.497471	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M-2H+NH4"	16.019271
"873605"	399.178671	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-2H+NH4"	16.019271
"33119"	787.293466	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M-2H+Na"	20.974666
"473042"	1170.452866	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M-2H+Na"	20.974666
"853399"	404.134066	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-2H+Na"	20.974666
"1625120"	404.134066	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Na-2H"	20.974666
"101649"	400.140463	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M-H+Cl"	33.962126
"547773"	591.720163	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M-H+Cl"	33.962126
"930352"	208.560763	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-H+Cl"	33.962126
"274377"	801.288202	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+Cl"	34.969402
"667891"	1184.447602	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+Cl"	34.969402
"1278107"	418.128802	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Cl"	34.969402
"18600"	803.267406	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M-2H+K"	36.948606
"462413"	1186.426806	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M-2H+K"	36.948606
"843495"	420.108006	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-2H+K"	36.948606
"1556045"	420.108006	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+K-2H"	36.948606
"951585"	428.157594	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-H+HCOOH"	44.998194
"366522"	811.317001	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+HCOOH-H"	44.998201
"346030"	825.332651	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+Hac-H"	59.013851
"1503618"	442.173251	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Hac-H"	59.013851
"965694"	450.139551	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-H+NaCOOH"	66.980151
"119341"	418.128802	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+2Cl"	69.938804
"556350"	609.708502	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+2Cl"	69.938804
"1030618"	226.549102	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2Cl"	69.938804
"1246186"	462.078285	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Br"	78.918885
"1308634"	464.134272	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Cl+HCOOH"	80.974872
"1323575"	486.116229	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Cl+NaCOOH"	102.956829
"916823"	496.144986	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M-H+CF3COOH"	112.985586
"1293532"	532.121664	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Cl+CF3COOH"	148.962264
"1376064"	348.146724	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H-2H2O"	-35.012676
"1392468"	366.1567	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H-H2O"	-17.0027
"289966"	767.326076	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+H"	1.007276
"678378"	1150.485476	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+H"	1.007276
"1360562"	384.166676	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H"	1.007276
"140020"	384.166676	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+2H"	2.014552
"580308"	575.746376	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+2H"	2.014552
"1048745"	192.586976	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2H"	2.014552
"215188"	256.446876	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+3H"	3.021828
"651832"	384.166676	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+3H"	3.021828
"1172143"	128.727076	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+3H"	3.021828
"431039"	784.352623	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+NH4"	18.033823
"787659"	1167.512023	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+NH4"	18.033823
"1687272"	401.193223	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+NH4"	18.033823
"341026"	392.6799495	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+H+NH4"	19.041099
"731260"	584.2596495	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+H+NH4"	19.041099
"1487268"	201.1002495	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H+NH4"	19.041099
"404853"	789.308018	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+Na"	22.989218
"762569"	1172.467418	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+Na"	22.989218
"1610666"	406.148618	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Na"	22.989218
"321799"	395.157647	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+H+Na"	23.996494
"713126"	586.737347	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+H+Na"	23.996494
"1466216"	203.577947	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H+Na"	23.996494
"1066389"	136.05439	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2H+Na"	25.00377
"1269524"	416.192886	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+CH3OH+H"	33.033486
"388100"	805.281958	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+K"	38.963158
"744719"	1188.441358	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+K"	38.963158
"1552243"	422.122558	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+K"	38.963158
"306136"	403.144617	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+H+K"	39.970434
"695641"	594.724317	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+H+K"	39.970434
"1454572"	211.564917	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H+K"	39.970434
"243175"	808.352626	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+ACN+H"	42.033826
"1211877"	425.193226	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+ACN+H"	42.033826
"1195518"	213.100251	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+ACN+2H"	43.041102
"192641"	811.28996	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+2Na-H"	44.97116
"638764"	1194.44936	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+2Na-H"	44.97116
"1143003"	428.13056	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2Na-H"	44.97116
"185931"	406.148618	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+2Na"	45.978436
"625130"	597.728318	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+2Na"	45.978436
"1127541"	214.568918	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2Na"	45.978436
"1407784"	143.381704	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H+2Na"	46.985712
"1434433"	430.172146	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H+HCOOH"	47.012746
"234825"	411.18164	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+3H2O+2H"	56.04448
"1522035"	444.22419	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+IsoProp+H"	61.06479
"421720"	414.135588	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+Na+K"	61.952376
"781624"	605.715288	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+Na+K"	61.952376
"1679048"	222.555888	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Na+K"	61.952376
"265324"	830.334568	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+ACN+Na"	64.015768
"1237184"	447.175168	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+ACN+Na"	64.015768
"1724974"	447.198693	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+NH4+HCOOH"	64.039293
"1191422"	150.709018	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+3Na"	68.967654
"1655848"	452.154088	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Na+HCOOH"	68.994688
"168176"	843.23784	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+2K-H"	76.91904
"607739"	1226.39724	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+2K-H"	76.91904
"1095531"	460.07844	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2K-H"	76.91904
"151256"	422.122558	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"2M+2K"	77.926316
"593005"	613.702258	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"3M+2K"	77.926316
"1077515"	230.542858	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2K"	77.926316
"1103069"	462.092992	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2K+H"	78.933592
"1343828"	462.180607	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+DMSO+H"	79.021207
"1016735"	466.219776	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2ACN+H"	83.060376
"1538870"	467.213408	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+IsoProp+Na+H"	84.054008
"1005077"	233.613526	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+2ACN+2H"	84.067652
"1600185"	468.128028	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+K+HCOOH"	84.968628
"1424750"	498.159538	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+H+CF3COOH"	115.000138
"1156132"	254.126801	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+3ACN+2H"	125.094202
"1705683"	515.186085	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+NH4+CF3COOH"	132.026685
"1646802"	520.14148	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+Na+CF3COOH"	136.98208
"1574798"	536.11542	"C07368"	"Prazosin"	"C19H21N5O4"	"383.1594"	"M+K+CF3COOH"	152.95602
"813917"	360.1937	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M"	0
"977608"	341.17531	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-H2O-H"	-19.01839
"64757"	239.121857333333	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M-3H"	-3.021828
"511971"	359.186424	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M-3H"	-3.021828
"888679"	119.057290666667	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-3H"	-3.021828
"9444"	359.186424	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M-2H"	-2.014552
"447909"	539.283274	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M-2H"	-2.014552
"827538"	179.089574	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-2H"	-2.014552
"88988"	719.380124	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M-H"	-1.007276
"526360"	1079.573824	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M-H"	-1.007276
"904163"	359.186424	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-H"	-1.007276
"56350"	736.406671	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M-2H+NH4"	16.019271
"491537"	1096.600371	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M-2H+NH4"	16.019271
"871528"	376.212971	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-2H+NH4"	16.019271
"32012"	741.362066	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M-2H+Na"	20.974666
"471937"	1101.555766	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M-2H+Na"	20.974666
"852416"	381.168366	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-2H+Na"	20.974666
"1626323"	381.168366	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Na-2H"	20.974666
"101759"	377.174763	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M-H+Cl"	33.962126
"547882"	557.271613	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M-H+Cl"	33.962126
"939209"	197.077913	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-H+Cl"	33.962126
"281048"	755.356802	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+Cl"	34.969402
"671282"	1115.550502	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+Cl"	34.969402
"1285872"	395.163102	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Cl"	34.969402
"25149"	757.336006	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M-2H+K"	36.948606
"466897"	1117.529706	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M-2H+K"	36.948606
"847250"	397.142306	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-2H+K"	36.948606
"1563813"	397.142306	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+K-2H"	36.948606
"949508"	405.191894	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-H+HCOOH"	44.998194
"371005"	765.385601	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+HCOOH-H"	44.998201
"347599"	779.401251	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+Hac-H"	59.013851
"1504822"	419.207551	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Hac-H"	59.013851
"961794"	427.173851	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-H+NaCOOH"	66.980151
"120178"	395.163102	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+2Cl"	69.938804
"556460"	575.259952	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+2Cl"	69.938804
"1027447"	215.066252	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2Cl"	69.938804
"1248118"	439.112585	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Br"	78.918885
"1306921"	441.168572	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Cl+HCOOH"	80.974872
"1323687"	463.150529	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Cl+NaCOOH"	102.956829
"919121"	473.179286	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M-H+CF3COOH"	112.985586
"1294735"	509.155964	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Cl+CF3COOH"	148.962264
"1379454"	325.181024	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H-2H2O"	-35.012676
"1394400"	343.191	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H-H2O"	-17.0027
"293356"	721.394676	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+H"	1.007276
"686872"	1081.588376	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+H"	1.007276
"1360672"	361.200976	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H"	1.007276
"137943"	361.200976	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+2H"	2.014552
"578962"	541.297826	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+2H"	2.014552
"1049221"	181.104126	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2H"	2.014552
"215663"	241.136409333333	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+3H"	3.021828
"651942"	361.200976	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+3H"	3.021828
"1173347"	121.071842666667	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+3H"	3.021828
"431150"	738.421223	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+NH4"	18.033823
"789956"	1098.614923	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+NH4"	18.033823
"1687382"	378.227523	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+NH4"	18.033823
"338951"	369.7142495	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+H+NH4"	19.041099
"732464"	549.8110995	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+H+NH4"	19.041099
"1486285"	189.6173995	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H+NH4"	19.041099
"400588"	743.376618	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+Na"	22.989218
"761585"	1103.570318	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+Na"	22.989218
"1608589"	383.182918	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Na"	22.989218
"321545"	372.191947	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+H+Na"	23.996494
"713236"	552.288797	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+H+Na"	23.996494
"1466326"	192.095097	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H+Na"	23.996494
"1066135"	128.399156666667	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2H+Na"	25.00377
"1269270"	393.227186	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+CH3OH+H"	33.033486
"388939"	759.350558	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+K"	38.963158
"744829"	1119.544258	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+K"	38.963158
"1555378"	399.156858	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+K"	38.963158
"306976"	380.178917	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+H+K"	39.970434
"696480"	560.275767	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+H+K"	39.970434
"1454681"	200.082067	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H+K"	39.970434
"243285"	762.421226	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+ACN+H"	42.033826
"1212716"	402.227526	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+ACN+H"	42.033826
"1203161"	201.617401	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+ACN+2H"	43.041102
"197125"	765.35856	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+2Na-H"	44.97116
"631218"	1125.55226	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+2Na-H"	44.97116
"1143841"	405.16486	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2Na-H"	44.97116
"187623"	383.182918	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+2Na"	45.978436
"628246"	563.279768	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+2Na"	45.978436
"1130203"	203.086068	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2Na"	45.978436
"1413817"	135.726470666667	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H+2Na"	46.985712
"1444020"	407.206446	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H+HCOOH"	47.012746
"234812"	388.21594	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+3H2O+2H"	56.04448
"1519957"	421.25849	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+IsoProp+H"	61.06479
"420737"	391.169888	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+Na+K"	61.952376
"783558"	571.266738	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+Na+K"	61.952376
"1679161"	211.073038	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Na+K"	61.952376
"266527"	784.403168	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+ACN+Na"	64.015768
"1236198"	424.209468	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+ACN+Na"	64.015768
"1722897"	424.232993	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+NH4+HCOOH"	64.039293
"1189345"	143.053784666667	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+3Na"	68.967654
"1662518"	429.188388	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Na+HCOOH"	68.994688
"172419"	797.30644	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+2K-H"	76.91904
"611129"	1157.50014	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+2K-H"	76.91904
"1097828"	437.11274	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2K-H"	76.91904
"154646"	399.156858	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"2M+2K"	77.926316
"593115"	579.253708	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"3M+2K"	77.926316
"1076532"	219.060008	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2K"	77.926316
"1104272"	439.127292	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2K+H"	78.933592
"1345032"	439.214907	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+DMSO+H"	79.021207
"1020249"	443.254076	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2ACN+H"	83.060376
"1534969"	444.247708	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+IsoProp+Na+H"	84.054008
"1003972"	222.130676	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+2ACN+2H"	84.067652
"1600295"	445.162328	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+K+HCOOH"	84.968628
"1424862"	475.193838	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+H+CF3COOH"	115.000138
"1157336"	242.643951	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+3ACN+2H"	125.094202
"1711261"	492.220385	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+NH4+CF3COOH"	132.026685
"1644725"	497.17578	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+Na+CF3COOH"	136.98208
"1574908"	513.14972	"C07369"	"Prednisolone"	"C21H28O5"	"360.1937"	"M+K+CF3COOH"	152.95602
"812933"	358.178	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M"	0
"977717"	339.15961	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-H2O-H"	-19.01839
"63447"	237.778057333333	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M-3H"	-3.021828
"505520"	357.170724	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M-3H"	-3.021828
"884416"	118.385390666667	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-3H"	-3.021828
"8460"	357.170724	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M-2H"	-2.014552
"448021"	536.259724	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M-2H"	-2.014552
"821451"	178.081724	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-2H"	-2.014552
"82538"	715.348724	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M-H"	-1.007276
"520030"	1073.526724	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M-H"	-1.007276
"898806"	357.170724	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-H"	-1.007276
"50994"	732.375271	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M-2H+NH4"	16.019271
"487466"	1090.553271	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M-2H+NH4"	16.019271
"869450"	374.197271	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-2H+NH4"	16.019271
"32125"	737.330666	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M-2H+Na"	20.974666
"475817"	1095.508666	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M-2H+Na"	20.974666
"852526"	379.152666	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-2H+Na"	20.974666
"1623153"	379.152666	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Na-2H"	20.974666
"102962"	375.159063	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M-H+Cl"	33.962126
"545441"	554.248063	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M-H+Cl"	33.962126
"939319"	196.070063	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-H+Cl"	33.962126
"276786"	751.325402	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+Cl"	34.969402
"671392"	1109.503402	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+Cl"	34.969402
"1284161"	393.147402	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Cl"	34.969402
"25259"	753.304606	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M-2H+K"	36.948606
"468100"	1111.482606	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M-2H+K"	36.948606
"845903"	395.126606	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-2H+K"	36.948606
"1563923"	395.126606	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+K-2H"	36.948606
"949618"	403.176194	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-H+HCOOH"	44.998194
"367835"	761.354201	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+HCOOH-H"	44.998201
"347707"	775.369851	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+Hac-H"	59.013851
"1498371"	417.191851	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Hac-H"	59.013851
"964820"	425.158151	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-H+NaCOOH"	66.980151
"120288"	393.147402	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+2Cl"	69.938804
"557663"	572.236402	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+2Cl"	69.938804
"1029744"	214.058402	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2Cl"	69.938804
"1247134"	437.096885	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Br"	78.918885
"1307759"	439.152872	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Cl+HCOOH"	80.974872
"1321610"	461.134829	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Cl+NaCOOH"	102.956829
"921418"	471.163586	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M-H+CF3COOH"	112.985586
"1294845"	507.140264	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Cl+CF3COOH"	148.962264
"1379564"	323.165324	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H-2H2O"	-35.012676
"1394874"	341.1753	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H-H2O"	-17.0027
"293102"	717.363276	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+H"	1.007276
"685889"	1075.541276	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+H"	1.007276
"1358959"	359.185276	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H"	1.007276
"139146"	359.185276	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+2H"	2.014552
"579436"	538.274276	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+2H"	2.014552
"1049331"	180.096276	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2H"	2.014552
"215045"	239.792609333333	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+3H"	3.021828
"652052"	359.185276	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+3H"	3.021828
"1173093"	120.399942666667	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+3H"	3.021828
"432356"	734.389823	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+NH4"	18.033823
"791160"	1092.567823	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+NH4"	18.033823
"1688587"	376.211823	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+NH4"	18.033823
"340155"	367.6985495	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+H+NH4"	19.041099
"732574"	546.7875495	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+H+NH4"	19.041099
"1487488"	188.6095495	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H+NH4"	19.041099
"400698"	739.345218	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+Na"	22.989218
"761695"	1097.523218	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+Na"	22.989218
"1608699"	381.167218	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Na"	22.989218
"320926"	370.176247	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+H+Na"	23.996494
"712253"	549.265247	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+H+Na"	23.996494
"1466072"	191.087247	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H+Na"	23.996494
"1064788"	127.727256666667	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2H+Na"	25.00377
"1266464"	391.211486	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+CH3OH+H"	33.033486
"389049"	755.319158	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+K"	38.963158
"741659"	1113.497158	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+K"	38.963158
"1553191"	397.141158	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+K"	38.963158
"307086"	378.163217	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+H+K"	39.970434
"696590"	557.252217	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+H+K"	39.970434
"1451511"	199.074217	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H+K"	39.970434
"239021"	758.389826	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+ACN+H"	42.033826
"1213916"	400.211826	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+ACN+H"	42.033826
"1197800"	200.609551	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+ACN+2H"	43.041102
"191765"	761.32716	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+2Na-H"	44.97116
"632418"	1119.50516	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+2Na-H"	44.97116
"1145293"	403.14916	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2Na-H"	44.97116
"184693"	381.167218	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+2Na"	45.978436
"627173"	560.256218	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+2Na"	45.978436
"1129219"	202.078218	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2Na"	45.978436
"1411283"	135.054570666667	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H+2Na"	46.985712
"1444130"	405.190746	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H+HCOOH"	47.012746
"227632"	386.20024	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+3H2O+2H"	56.04448
"1513507"	419.24279	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+IsoProp+H"	61.06479
"418659"	389.154188	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+Na+K"	61.952376
"780748"	568.243188	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+Na+K"	61.952376
"1675986"	210.065188	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Na+K"	61.952376
"264692"	780.371768	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+ACN+Na"	64.015768
"1233027"	422.193768	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+ACN+Na"	64.015768
"1717540"	422.217293	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+NH4+HCOOH"	64.039293
"1187268"	142.381884666667	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+3Na"	68.967654
"1657161"	427.172688	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Na+HCOOH"	68.994688
"170583"	793.27504	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+2K-H"	76.91904
"611483"	1151.45304	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+2K-H"	76.91904
"1096846"	435.09704	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2K-H"	76.91904
"152571"	397.141158	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"2M+2K"	77.926316
"593223"	576.230158	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"3M+2K"	77.926316
"1074454"	218.052158	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2K"	77.926316
"1103289"	437.111592	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2K+H"	78.933592
"1342955"	437.199207	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+DMSO+H"	79.021207
"1018049"	441.238376	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2ACN+H"	83.060376
"1532892"	442.232008	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+IsoProp+Na+H"	84.054008
"1000434"	221.122826	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+2ACN+2H"	84.067652
"1594937"	443.146628	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+K+HCOOH"	84.968628
"1417316"	473.178138	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+H+CF3COOH"	115.000138
"1147196"	241.636101	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+3ACN+2H"	125.094202
"1697047"	490.204685	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+NH4+CF3COOH"	132.026685
"1640461"	495.16008	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+Na+CF3COOH"	136.98208
"1571738"	511.13402	"C07370"	"Prednisone"	"C21H26O5"	"358.178"	"M+K+CF3COOH"	152.95602
"816321"	218.1055	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M"	0
"981108"	199.08711	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-H2O-H"	-19.01839
"71538"	144.396390666667	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M-3H"	-3.021828
"514378"	217.098224	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M-3H"	-3.021828
"887807"	71.6945573333333	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-3H"	-3.021828
"10756"	217.098224	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M-2H"	-2.014552
"447037"	326.150974	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M-2H"	-2.014552
"821561"	108.045474	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-2H"	-2.014552
"83740"	435.203724	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M-H"	-1.007276
"518802"	653.309224	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M-H"	-1.007276
"900009"	217.098224	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-H"	-1.007276
"47945"	452.230271	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M-2H+NH4"	16.019271
"489923"	670.335771	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M-2H+NH4"	16.019271
"864452"	234.124771	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-2H+NH4"	16.019271
"34179"	457.185666	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M-2H+Na"	20.974666
"477020"	675.291166	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M-2H+Na"	20.974666
"852636"	239.080166	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-2H+Na"	20.974666
"1623263"	239.080166	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Na-2H"	20.974666
"99792"	235.086563	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M-H+Cl"	33.962126
"543726"	344.139313	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M-H+Cl"	33.962126
"937242"	126.033813	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-H+Cl"	33.962126
"279082"	471.180402	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+Cl"	34.969402
"672233"	689.285902	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+Cl"	34.969402
"1286093"	253.074902	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Cl"	34.969402
"28285"	473.159606	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M-2H+K"	36.948606
"469306"	691.265106	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M-2H+K"	36.948606
"846742"	255.054106	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-2H+K"	36.948606
"1564033"	255.054106	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+K-2H"	36.948606
"949728"	263.103694	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-H+HCOOH"	44.998194
"366851"	481.209201	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+HCOOH-H"	44.998201
"349640"	495.224851	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+Hac-H"	59.013851
"1499575"	277.119351	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Hac-H"	59.013851
"968210"	285.085651	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-H+NaCOOH"	66.980151
"120398"	253.074902	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+2Cl"	69.938804
"556680"	362.127652	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+2Cl"	69.938804
"1028761"	144.022152	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2Cl"	69.938804
"1249430"	297.024385	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Br"	78.918885
"1309692"	299.080372	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Cl+HCOOH"	80.974872
"1322813"	321.062329	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Cl+NaCOOH"	102.956829
"922620"	331.091086	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M-H+CF3COOH"	112.985586
"1296048"	367.067764	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Cl+CF3COOH"	148.962264
"1375301"	183.092824	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H-2H2O"	-35.012676
"1394984"	201.1028	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H-H2O"	-17.0027
"292483"	437.218276	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+H"	1.007276
"685999"	655.323776	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+H"	1.007276
"1359069"	219.112776	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H"	1.007276
"139256"	219.112776	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+2H"	2.014552
"578089"	328.165526	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+2H"	2.014552
"1049441"	110.060026	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2H"	2.014552
"215883"	146.410942666667	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+3H"	3.021828
"652162"	219.112776	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+3H"	3.021828
"1174296"	73.7091093333333	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+3H"	3.021828
"432466"	454.244823	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+NH4"	18.033823
"792363"	672.350323	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+NH4"	18.033823
"1687604"	236.139323	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+NH4"	18.033823
"341358"	227.6260495	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+H+NH4"	19.041099
"732685"	336.6787995	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+H+NH4"	19.041099
"1487598"	118.5732995	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H+NH4"	19.041099
"406275"	459.200218	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+Na"	22.989218
"762899"	677.305718	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+Na"	22.989218
"1608079"	241.094718	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Na"	22.989218
"317752"	230.103747	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+H+Na"	23.996494
"711997"	339.156497	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+H+Na"	23.996494
"1463992"	121.050997	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H+Na"	23.996494
"1062708"	81.0364233333333	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2H+Na"	25.00377
"1267667"	251.138986	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+CH3OH+H"	33.033486
"386241"	475.174158	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+K"	38.963158
"745049"	693.279658	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+K"	38.963158
"1553301"	257.068658	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+K"	38.963158
"307560"	238.090717	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+H+K"	39.970434
"696701"	347.143467	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+H+K"	39.970434
"1452712"	129.037967	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H+K"	39.970434
"239131"	478.244826	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+ACN+H"	42.033826
"1215120"	260.139326	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+ACN+H"	42.033826
"1197910"	130.573301	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+ACN+2H"	43.041102
"198436"	481.18216	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+2Na-H"	44.97116
"635808"	699.28766	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+2Na-H"	44.97116
"1145161"	263.07666	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2Na-H"	44.97116
"185291"	241.094718	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+2Na"	45.978436
"627772"	350.147468	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+2Na"	45.978436
"1128966"	132.041968	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2Na"	45.978436
"1411029"	88.3637373333333	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H+2Na"	46.985712
"1444970"	265.118246	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H+HCOOH"	47.012746
"224462"	246.12774	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+3H2O+2H"	56.04448
"1512523"	279.17029	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+IsoProp+H"	61.06479
"417677"	249.081688	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+Na+K"	61.952376
"780858"	358.134438	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+Na+K"	61.952376
"1678282"	140.028938	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Na+K"	61.952376
"262615"	500.226768	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+ACN+Na"	64.015768
"1234230"	282.121268	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+ACN+Na"	64.015768
"1717650"	282.144793	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+NH4+HCOOH"	64.039293
"1187378"	95.6910513333333	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+3Na"	68.967654
"1657271"	287.100188	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Na+HCOOH"	68.994688
"171058"	513.13004	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+2K-H"	76.91904
"609894"	731.23554	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+2K-H"	76.91904
"1096229"	295.02454	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2K-H"	76.91904
"153046"	257.068658	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"2M+2K"	77.926316
"593332"	366.121408	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"3M+2K"	77.926316
"1074564"	148.015908	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2K"	77.926316
"1103399"	297.039092	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2K+H"	78.933592
"1347440"	297.126707	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+DMSO+H"	79.021207
"1014878"	301.165876	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2ACN+H"	83.060376
"1534095"	302.159508	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+IsoProp+Na+H"	84.054008
"1002732"	151.086576	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+2ACN+2H"	84.067652
"1595047"	303.074128	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+K+HCOOH"	84.968628
"1425081"	333.105638	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+H+CF3COOH"	115.000138
"1153181"	171.599851	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+3ACN+2H"	125.094202
"1706013"	350.132185	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+NH4+CF3COOH"	132.026685
"1647132"	355.08758	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+Na+CF3COOH"	136.98208
"1577315"	371.06152	"C07371"	"Primidone;5-Phenyl-5-ethyl-Hexahydropyrimidine-46-dione"	"C12H14N2O2"	"218.1055"	"M+K+CF3COOH"	152.95602
"816431"	285.1035	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M"	0
"984498"	266.08511	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-H2O-H"	-19.01839
"70554"	189.061724	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M-3H"	-3.021828
"512302"	284.096224	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M-3H"	-3.021828
"887917"	94.027224	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-3H"	-3.021828
"10866"	284.096224	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M-2H"	-2.014552
"446054"	426.647974	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M-2H"	-2.014552
"821670"	141.544474	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-2H"	-2.014552
"86037"	569.199724	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M-H"	-1.007276
"519153"	854.303224	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M-H"	-1.007276
"901212"	284.096224	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-H"	-1.007276
"51214"	586.226271	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M-2H+NH4"	16.019271
"487612"	871.329771	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M-2H+NH4"	16.019271
"865049"	301.122771	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-2H+NH4"	16.019271
"37570"	591.181666	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M-2H+Na"	20.974666
"473971"	876.285166	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M-2H+Na"	20.974666
"852747"	306.078166	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-2H+Na"	20.974666
"1622279"	306.078166	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Na-2H"	20.974666
"103183"	302.084563	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M-H+Cl"	33.962126
"544934"	444.636313	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M-H+Cl"	33.962126
"937352"	159.532813	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-H+Cl"	33.962126
"277006"	605.176402	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+Cl"	34.969402
"672342"	890.279902	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+Cl"	34.969402
"1285111"	320.072902	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Cl"	34.969402
"27302"	607.155606	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M-2H+K"	36.948606
"466138"	892.259106	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M-2H+K"	36.948606
"846126"	322.052106	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-2H+K"	36.948606
"1564143"	322.052106	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+K-2H"	36.948606
"952025"	330.101694	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-H+HCOOH"	44.998194
"371335"	615.205201	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+HCOOH-H"	44.998201
"350844"	629.220851	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+Hac-H"	59.013851
"1497498"	344.117351	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Hac-H"	59.013851
"965040"	352.083651	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-H+NaCOOH"	66.980151
"115046"	320.072902	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+2Cl"	69.938804
"554237"	462.624652	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+2Cl"	69.938804
"1024129"	177.521152	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2Cl"	69.938804
"1245530"	364.022385	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Br"	78.918885
"1309437"	366.078372	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Cl+HCOOH"	80.974872
"1324746"	388.060329	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Cl+NaCOOH"	102.956829
"913983"	398.089086	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M-H+CF3COOH"	112.985586
"1293607"	434.065764	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Cl+CF3COOH"	148.962264
"1369581"	250.090824	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H-2H2O"	-35.012676
"1394005"	268.1008	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H-H2O"	-17.0027
"289681"	571.214276	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+H"	1.007276
"689026"	856.317776	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+H"	1.007276
"1364647"	286.110776	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H"	1.007276
"139366"	286.110776	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+2H"	2.014552
"579292"	428.662526	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+2H"	2.014552
"1049551"	143.559026	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2H"	2.014552
"217818"	191.076276	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+3H"	3.021828
"652272"	286.110776	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+3H"	3.021828
"1174043"	96.041776	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+3H"	3.021828
"433669"	588.240823	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+NH4"	18.033823
"793573"	873.344323	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+NH4"	18.033823
"1692089"	303.137323	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+NH4"	18.033823
"342557"	294.6240495	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+H+NH4"	19.041099
"735711"	437.1757995	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+H+NH4"	19.041099
"1489894"	152.0722995	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H+NH4"	19.041099
"406386"	593.196218	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+Na"	22.989218
"766287"	878.299718	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+Na"	22.989218
"1611104"	308.092718	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Na"	22.989218
"323331"	297.101747	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+H+Na"	23.996494
"713566"	439.653497	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+H+Na"	23.996494
"1465196"	154.549997	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H+Na"	23.996494
"1063912"	103.36909	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2H+Na"	25.00377
"1268870"	318.136986	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+CH3OH+H"	33.033486
"385258"	609.170158	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+K"	38.963158
"745159"	894.273658	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+K"	38.963158
"1553411"	324.066658	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+K"	38.963158
"306577"	305.088717	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+H+K"	39.970434
"696811"	447.640467	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+H+K"	39.970434
"1452822"	162.536967	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H+K"	39.970434
"243615"	612.240826	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+ACN+H"	42.033826
"1215230"	327.137326	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+ACN+H"	42.033826
"1200207"	164.072301	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+ACN+2H"	43.041102
"196361"	615.17816	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+2Na-H"	44.97116
"634826"	900.28166	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+2Na-H"	44.97116
"1145392"	330.07466	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2Na-H"	44.97116
"185522"	308.092718	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+2Na"	45.978436
"627398"	450.644468	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+2Na"	45.978436
"1129561"	165.540968	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2Na"	45.978436
"1412720"	110.696404	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H+2Na"	46.985712
"1442892"	332.116246	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H+HCOOH"	47.012746
"224571"	313.12574	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+3H2O+2H"	56.04448
"1514819"	346.16829	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+IsoProp+H"	61.06479
"416693"	316.079688	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+Na+K"	61.952376
"783156"	458.631438	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+Na+K"	61.952376
"1679487"	173.527938	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Na+K"	61.952376
"263818"	634.222768	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+ACN+Na"	64.015768
"1238714"	349.119268	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+ACN+Na"	64.015768
"1715573"	349.142793	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+NH4+HCOOH"	64.039293
"1187488"	118.023718	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+3Na"	68.967654
"1656287"	354.098188	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Na+HCOOH"	68.994688
"168616"	647.12604	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+2K-H"	76.91904
"607085"	932.22954	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+2K-H"	76.91904
"1095972"	362.02254	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2K-H"	76.91904
"148416"	324.066658	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"2M+2K"	77.926316
"587975"	466.618408	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"3M+2K"	77.926316
"1074674"	181.514908	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2K"	77.926316
"1108977"	364.037092	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2K+H"	78.933592
"1347549"	364.124707	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+DMSO+H"	79.021207
"1012797"	368.163876	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2ACN+H"	83.060376
"1534205"	369.157508	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+IsoProp+Na+H"	84.054008
"1001748"	184.585576	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+2ACN+2H"	84.067652
"1595157"	370.072128	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+K+HCOOH"	84.968628
"1426284"	400.103638	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+H+CF3COOH"	115.000138
"1152198"	205.098851	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+3ACN+2H"	125.094202
"1703936"	417.130185	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+NH4+CF3COOH"	132.026685
"1637400"	422.08558	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+Na+CF3COOH"	136.98208
"1575238"	438.05952	"C07372"	"Probenecid"	"C13H19NO4S"	"285.1035"	"M+K+CF3COOH"	152.95602
"816814"	516.3096	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M"	0
"981327"	497.29121	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-H2O-H"	-19.01839
"70664"	343.199124	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M-3H"	-3.021828
"513505"	515.302324	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M-3H"	-3.021828
"891307"	171.095924	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-3H"	-3.021828
"13164"	515.302324	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M-2H"	-2.014552
"446164"	773.457124	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M-2H"	-2.014552
"822873"	257.147524	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-2H"	-2.014552
"85053"	1031.611924	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M-H"	-1.007276
"521332"	1547.921524	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M-H"	-1.007276
"903509"	515.302324	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-H"	-1.007276
"51324"	1048.638471	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M-2H+NH4"	16.019271
"487722"	1564.948071	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M-2H+NH4"	16.019271
"865402"	532.328871	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-2H+NH4"	16.019271
"35615"	1053.593866	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M-2H+Na"	20.974666
"476147"	1569.903466	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M-2H+Na"	20.974666
"853950"	537.284266	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-2H+Na"	20.974666
"1626764"	537.284266	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Na-2H"	20.974666
"107668"	533.290663	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M-H+Cl"	33.962126
"546505"	791.445463	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M-H+Cl"	33.962126
"936370"	275.135863	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-H+Cl"	33.962126
"279307"	1067.588602	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+Cl"	34.969402
"670997"	1583.898202	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+Cl"	34.969402
"1283036"	551.279002	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Cl"	34.969402
"27780"	1069.567806	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M-2H+K"	36.948606
"465155"	1585.877406	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M-2H+K"	36.948606
"845871"	553.258206	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-2H+K"	36.948606
"1570695"	553.258206	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+K-2H"	36.948606
"955051"	561.307794	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-H+HCOOH"	44.998194
"374725"	1077.617401	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+HCOOH-H"	44.998201
"356422"	1091.633051	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+Hac-H"	59.013851
"1498701"	575.323451	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Hac-H"	59.013851
"962233"	583.289751	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-H+NaCOOH"	66.980151
"115155"	551.279002	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+2Cl"	69.938804
"553255"	809.433802	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+2Cl"	69.938804
"1024607"	293.124202	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2Cl"	69.938804
"1243087"	595.228485	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Br"	78.918885
"1308821"	597.284472	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Cl+HCOOH"	80.974872
"1321211"	619.266429	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Cl+NaCOOH"	102.956829
"915186"	629.295186	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M-H+CF3COOH"	112.985586
"1292988"	665.271864	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Cl+CF3COOH"	148.962264
"1375524"	481.296924	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H-2H2O"	-35.012676
"1393751"	499.3069	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H-H2O"	-17.0027
"294530"	1033.626476	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+H"	1.007276
"688775"	1549.936076	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+H"	1.007276
"1362207"	517.316876	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H"	1.007276
"137653"	517.316876	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+2H"	2.014552
"581028"	775.471676	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+2H"	2.014552
"1049294"	259.162076	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2H"	2.014552
"219635"	345.213676	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+3H"	3.021828
"657122"	517.316876	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+3H"	3.021828
"1175610"	173.110476	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+3H"	3.021828
"433779"	1050.653023	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+NH4"	18.033823
"793683"	1566.962623	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+NH4"	18.033823
"1691106"	534.343423	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+NH4"	18.033823
"343761"	525.8301495	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+H+NH4"	19.041099
"735092"	783.9849495	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+H+NH4"	19.041099
"1488912"	267.6753495	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H+NH4"	19.041099
"405405"	1055.608418	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+Na"	22.989218
"767493"	1571.918018	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+Na"	22.989218
"1614494"	539.298818	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Na"	22.989218
"323441"	528.307847	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+H+Na"	23.996494
"713676"	786.462647	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+H+Na"	23.996494
"1467492"	270.153047	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H+Na"	23.996494
"1061835"	180.43779	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2H+Na"	25.00377
"1266794"	549.343086	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+CH3OH+H"	33.033486
"384275"	1071.582358	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+K"	38.963158
"745270"	1587.891958	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+K"	38.963158
"1549512"	555.272758	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+K"	38.963158
"312154"	536.294817	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+H+K"	39.970434
"700200"	794.449617	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+H+K"	39.970434
"1452932"	278.140017	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H+K"	39.970434
"243726"	1074.653026	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+ACN+H"	42.033826
"1218620"	558.343426	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+ACN+H"	42.033826
"1202503"	279.675351	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+ACN+2H"	43.041102
"193189"	1077.59036	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+2Na-H"	44.97116
"638216"	1593.89996	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+2Na-H"	44.97116
"1135162"	561.28076	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2Na-H"	44.97116
"183929"	539.298818	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+2Na"	45.978436
"624219"	797.453618	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+2Na"	45.978436
"1125901"	281.144018	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2Na"	45.978436
"1407968"	187.765104	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H+2Na"	46.985712
"1441908"	563.322346	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H+HCOOH"	47.012746
"226868"	544.33184	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+3H2O+2H"	56.04448
"1517116"	577.37439	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+IsoProp+H"	61.06479
"416802"	547.285788	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+Na+K"	61.952376
"781078"	805.440588	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+Na+K"	61.952376
"1676315"	289.130988	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Na+K"	61.952376
"259555"	1096.634968	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+ACN+Na"	64.015768
"1236638"	580.325368	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+ACN+Na"	64.015768
"1717870"	580.348893	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+NH4+HCOOH"	64.039293
"1186505"	195.092418	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+3Na"	68.967654
"1653117"	585.304288	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Na+HCOOH"	68.994688
"166539"	1109.53824	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+2K-H"	76.91904
"608289"	1625.84784	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+2K-H"	76.91904
"1096082"	593.22864	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2K-H"	76.91904
"150713"	555.272758	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"2M+2K"	77.926316
"585898"	813.427558	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"3M+2K"	77.926316
"1070045"	297.117958	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2K"	77.926316
"1109087"	595.243192	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2K+H"	78.933592
"1343286"	595.330807	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+DMSO+H"	79.021207
"1009627"	599.369976	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2ACN+H"	83.060376
"1532126"	600.363608	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+IsoProp+Na+H"	84.054008
"999672"	300.188626	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+2ACN+2H"	84.067652
"1595266"	601.278228	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+K+HCOOH"	84.968628
"1426394"	631.309738	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+H+CF3COOH"	115.000138
"1152308"	320.701901	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+3ACN+2H"	125.094202
"1706233"	648.336285	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+NH4+CF3COOH"	132.026685
"1637510"	653.29168	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+Na+CF3COOH"	136.98208
"1574255"	669.26562	"C07373"	"Probucol"	"C31H48O2S2"	"516.3096"	"M+K+CF3COOH"	152.95602
"817065"	236.1525	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M"	0
"989094"	217.13411	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-H2O-H"	-19.01839
"78423"	156.427724	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M-3H"	-3.021828
"516899"	235.145224	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M-3H"	-3.021828
"894340"	77.710224	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-3H"	-3.021828
"14368"	235.145224	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M-2H"	-2.014552
"447368"	353.221474	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M-2H"	-2.014552
"827358"	117.068974	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-2H"	-2.014552
"89538"	471.297724	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M-H"	-1.007276
"529097"	707.450224	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M-H"	-1.007276
"903618"	235.145224	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-H"	-1.007276
"55806"	488.324271	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M-2H+NH4"	16.019271
"494277"	724.476771	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M-2H+NH4"	16.019271
"868798"	252.171771	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-2H+NH4"	16.019271
"36698"	493.279666	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M-2H+Na"	20.974666
"478446"	729.432166	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M-2H+Na"	20.974666
"854060"	257.127166	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-2H+Na"	20.974666
"1630154"	257.127166	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Na-2H"	20.974666
"106686"	253.133563	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M-H+Cl"	33.962126
"548073"	371.209813	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M-H+Cl"	33.962126
"938304"	135.057313	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-H+Cl"	33.962126
"281240"	507.274402	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+Cl"	34.969402
"672930"	743.426902	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+Cl"	34.969402
"1286428"	271.121902	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Cl"	34.969402
"29349"	509.253606	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M-2H+K"	36.948606
"468546"	745.406106	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M-2H+K"	36.948606
"847318"	273.101106	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-2H+K"	36.948606
"1569955"	273.101106	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+K-2H"	36.948606
"955161"	281.150694	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-H+HCOOH"	44.998194
"371555"	517.303201	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+HCOOH-H"	44.998201
"353252"	531.318851	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+Hac-H"	59.013851
"1503913"	295.166351	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Hac-H"	59.013851
"967446"	303.132651	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-H+NaCOOH"	66.980151
"115265"	271.121902	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+2Cl"	69.938804
"554094"	389.198152	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+2Cl"	69.938804
"1025811"	153.045652	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2Cl"	69.938804
"1245388"	315.071385	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Br"	78.918885
"1312211"	317.127372	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Cl+HCOOH"	80.974872
"1325333"	339.109329	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Cl+NaCOOH"	102.956829
"917486"	349.138086	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M-H+CF3COOH"	112.985586
"1300753"	385.114764	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Cl+CF3COOH"	148.962264
"1378917"	201.139824	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H-2H2O"	-35.012676
"1396047"	219.1498	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H-H2O"	-17.0027
"296828"	473.312276	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+H"	1.007276
"689616"	709.464776	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+H"	1.007276
"1362681"	237.159776	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H"	1.007276
"141338"	237.159776	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+2H"	2.014552
"581166"	355.236026	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+2H"	2.014552
"1049405"	119.083526	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2H"	2.014552
"219545"	158.442276	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+3H"	3.021828
"659058"	237.159776	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+3H"	3.021828
"1174992"	79.724776	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+3H"	3.021828
"436079"	490.338823	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+NH4"	18.033823
"791604"	726.491323	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+NH4"	18.033823
"1694498"	254.186323	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+NH4"	18.033823
"342779"	245.6730495	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+H+NH4"	19.041099
"737714"	363.7492995	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+H+NH4"	19.041099
"1492222"	127.5967995	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H+NH4"	19.041099
"408318"	495.294218	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+Na"	22.989218
"769429"	731.446718	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+Na"	22.989218
"1616794"	259.141718	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Na"	22.989218
"329627"	248.150747	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+H+Na"	23.996494
"715971"	366.226997	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+H+Na"	23.996494
"1470884"	130.074497	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H+Na"	23.996494
"1064132"	87.05209	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2H+Na"	25.00377
"1266905"	269.185986	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+CH3OH+H"	33.033486
"387667"	511.268158	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+K"	38.963158
"749754"	747.420658	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+K"	38.963158
"1555095"	275.115658	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+K"	38.963158
"311901"	256.137717	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+H+K"	39.970434
"701403"	374.213967	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+H+K"	39.970434
"1460575"	138.061467	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H+K"	39.970434
"240556"	514.338826	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+ACN+H"	42.033826
"1217639"	278.186326	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+ACN+H"	42.033826
"1203707"	139.596801	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+ACN+2H"	43.041102
"197674"	517.27616	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+2Na-H"	44.97116
"641245"	753.42866	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+2Na-H"	44.97116
"1136365"	281.12366	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2Na-H"	44.97116
"184039"	259.141718	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+2Na"	45.978436
"623965"	377.217968	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+2Na"	45.978436
"1127470"	141.065468	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2Na"	45.978436
"1408442"	94.379404	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H+2Na"	46.985712
"1444207"	283.165246	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H+HCOOH"	47.012746
"226977"	264.17474	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+3H2O+2H"	56.04448
"1515040"	297.21729	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+IsoProp+H"	61.06479
"413632"	267.128688	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+Na+K"	61.952376
"776815"	385.204938	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+Na+K"	61.952376
"1669864"	149.052438	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Na+K"	61.952376
"264040"	536.320768	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+ACN+Na"	64.015768
"1235654"	300.168268	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+ACN+Na"	64.015768
"1719073"	300.191793	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+NH4+HCOOH"	64.039293
"1190989"	101.706718	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+3Na"	68.967654
"1658695"	305.147188	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Na+HCOOH"	68.994688
"165558"	549.22404	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+2K-H"	76.91904
"608398"	785.37654	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+2K-H"	76.91904
"1096192"	313.07154	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2K-H"	76.91904
"150823"	275.115658	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"2M+2K"	77.926316
"584914"	393.191908	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"3M+2K"	77.926316
"1070033"	157.039408	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2K"	77.926316
"1109197"	315.086092	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2K+H"	78.933592
"1342302"	315.173707	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+DMSO+H"	79.021207
"1009737"	319.212876	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2ACN+H"	83.060376
"1535517"	320.206508	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+IsoProp+Na+H"	84.054008
"998686"	160.110076	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+2ACN+2H"	84.067652
"1592095"	321.121128	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+K+HCOOH"	84.968628
"1424317"	351.152638	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+H+CF3COOH"	115.000138
"1150231"	180.623351	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+3ACN+2H"	125.094202
"1705250"	368.179185	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+NH4+CF3COOH"	132.026685
"1638713"	373.13458	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+Na+CF3COOH"	136.98208
"1576551"	389.10852	"C07375"	"Procaine"	"C13H20N2O2"	"236.1525"	"M+K+CF3COOH"	152.95602
"816280"	257.1295	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M"	0
"988107"	238.11111	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-H2O-H"	-19.01839
"76352"	170.412390666667	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M-3H"	-3.021828
"517614"	256.122224	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M-3H"	-3.021828
"895177"	84.7025573333333	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-3H"	-3.021828
"15206"	256.122224	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M-2H"	-2.014552
"451851"	384.686974	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M-2H"	-2.014552
"828560"	127.557474	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-2H"	-2.014552
"90744"	513.251724	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M-H"	-1.007276
"528115"	770.381224	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M-H"	-1.007276
"905916"	256.122224	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-H"	-1.007276
"58105"	530.278271	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M-2H+NH4"	16.019271
"492201"	787.407771	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M-2H+NH4"	16.019271
"871097"	273.148771	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-2H+NH4"	16.019271
"41184"	535.233666	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M-2H+Na"	20.974666
"480744"	792.363166	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M-2H+Na"	20.974666
"859640"	278.104166	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-2H+Na"	20.974666
"1629539"	278.104166	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Na-2H"	20.974666
"106069"	274.110563	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M-H+Cl"	33.962126
"546724"	402.675313	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M-H+Cl"	33.962126
"938415"	145.545813	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-H+Cl"	33.962126
"278797"	549.228402	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+Cl"	34.969402
"673042"	806.357902	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+Cl"	34.969402
"1285081"	292.098902	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Cl"	34.969402
"27272"	551.207606	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M-2H+K"	36.948606
"466468"	808.337106	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M-2H+K"	36.948606
"843906"	294.078106	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-2H+K"	36.948606
"1569212"	294.078106	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+K-2H"	36.948606
"956734"	302.127694	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-H+HCOOH"	44.998194
"371668"	559.257201	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+HCOOH-H"	44.998201
"357013"	573.272851	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+Hac-H"	59.013851
"1507549"	316.143351	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Hac-H"	59.013851
"972174"	324.109651	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-H+NaCOOH"	66.980151
"118656"	292.098902	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+2Cl"	69.938804
"554934"	420.663652	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+2Cl"	69.938804
"1029201"	163.534152	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2Cl"	69.938804
"1244406"	336.048385	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Br"	78.918885
"1312322"	338.104372	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Cl+HCOOH"	80.974872
"1324350"	360.086329	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Cl+NaCOOH"	102.956829
"921969"	370.115086	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M-H+CF3COOH"	112.985586
"1302687"	406.091764	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Cl+CF3COOH"	148.962264
"1381216"	222.116824	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H-2H2O"	-35.012676
"1397495"	240.1268	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H-H2O"	-17.0027
"298318"	515.266276	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+H"	1.007276
"691064"	772.395776	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+H"	1.007276
"1364250"	258.136776	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H"	1.007276
"141398"	258.136776	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+2H"	2.014552
"581352"	386.701526	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+2H"	2.014552
"1049515"	129.572026	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2H"	2.014552
"219881"	172.426942666667	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+3H"	3.021828
"659778"	258.136776	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+3H"	3.021828
"1177898"	86.7171093333333	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+3H"	3.021828
"437283"	532.292823	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+NH4"	18.033823
"799371"	789.422323	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+NH4"	18.033823
"1696803"	275.163323	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+NH4"	18.033823
"343984"	266.6500495	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+H+NH4"	19.041099
"736771"	395.2147995	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+H+NH4"	19.041099
"1492538"	138.0852995	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H+NH4"	19.041099
"408537"	537.248218	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+Na"	22.989218
"769788"	794.377718	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+Na"	22.989218
"1618323"	280.118718	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Na"	22.989218
"329755"	269.127747	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+H+Na"	23.996494
"720334"	397.692497	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+H+Na"	23.996494
"1474276"	140.562997	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H+Na"	23.996494
"1064243"	94.0444233333333	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2H+Na"	25.00377
"1268838"	290.162986	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+CH3OH+H"	33.033486
"391787"	553.222158	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+K"	38.963158
"753512"	810.351658	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+K"	38.963158
"1550827"	296.092658	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+K"	38.963158
"312380"	277.114717	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+H+K"	39.970434
"705893"	405.679467	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+H+K"	39.970434
"1459348"	148.549967	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H+K"	39.970434
"243946"	556.292826	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+ACN+H"	42.033826
"1219935"	299.163326	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+ACN+H"	42.033826
"1207828"	150.085301	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+ACN+2H"	43.041102
"202886"	559.23016	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+2Na-H"	44.97116
"643421"	816.35966	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+2Na-H"	44.97116
"1138663"	302.10066	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2Na-H"	44.97116
"185609"	280.118718	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+2Na"	45.978436
"625534"	408.683468	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+2Na"	45.978436
"1125028"	151.553968	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2Na"	45.978436
"1408552"	101.371737333333	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H+2Na"	46.985712
"1445521"	304.142246	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H+HCOOH"	47.012746
"232920"	285.15174	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+3H2O+2H"	56.04448
"1515150"	318.19429	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+IsoProp+H"	61.06479
"415929"	288.105688	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+Na+K"	61.952376
"780206"	416.670438	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+Na+K"	61.952376
"1675442"	159.540938	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Na+K"	61.952376
"265244"	578.274768	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+ACN+Na"	64.015768
"1235764"	321.145268	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+ACN+Na"	64.015768
"1722463"	321.168793	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+NH4+HCOOH"	64.039293
"1191099"	108.699051333333	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+3Na"	68.967654
"1660992"	326.124188	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Na+HCOOH"	68.994688
"165667"	591.17804	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+2K-H"	76.91904
"606321"	848.30754	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+2K-H"	76.91904
"1095209"	334.04854	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2K-H"	76.91904
"147652"	296.092658	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"2M+2K"	77.926316
"587212"	424.657408	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"3M+2K"	77.926316
"1070994"	167.527908	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2K"	77.926316
"1110401"	336.063092	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2K+H"	78.933592
"1344600"	336.150707	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+DMSO+H"	79.021207
"1018594"	340.189876	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2ACN+H"	83.060376
"1536721"	341.183508	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+IsoProp+Na+H"	84.054008
"1002074"	170.598576	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+2ACN+2H"	84.067652
"1594392"	342.098128	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+K+HCOOH"	84.968628
"1424424"	372.129638	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+H+CF3COOH"	115.000138
"1152527"	191.111851	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+3ACN+2H"	125.094202
"1705360"	389.156185	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+NH4+CF3COOH"	132.026685
"1637730"	394.11158	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+Na+CF3COOH"	136.98208
"1576661"	410.08552	"C07376"	"Procarbazine hydrochloride"	"C12H19N3OHCl"	"257.1295"	"M+K+CF3COOH"	152.95602
"816427"	287.2249	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M"	0
"989070"	268.20651	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-H2O-H"	-19.01839
"75371"	190.475990666667	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M-3H"	-3.021828
"517117"	286.217624	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M-3H"	-3.021828
"891639"	94.7343573333333	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-3H"	-3.021828
"13493"	286.217624	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M-2H"	-2.014552
"453054"	429.830074	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M-2H"	-2.014552
"826484"	142.605174	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-2H"	-2.014552
"90121"	573.442524	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M-H"	-1.007276
"524944"	860.667424	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M-H"	-1.007276
"901652"	286.217624	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-H"	-1.007276
"52749"	590.469071	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M-2H+NH4"	16.019271
"493405"	877.693971	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M-2H+NH4"	16.019271
"867928"	303.244171	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-2H+NH4"	16.019271
"43117"	595.424466	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M-2H+Na"	20.974666
"479762"	882.649366	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M-2H+Na"	20.974666
"855376"	308.199566	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-2H+Na"	20.974666
"1629285"	308.199566	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Na-2H"	20.974666
"106908"	304.205963	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M-H+Cl"	33.962126
"547563"	447.818413	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M-H+Cl"	33.962126
"939254"	160.593513	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-H+Cl"	33.962126
"277812"	609.419202	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+Cl"	34.969402
"670233"	896.644102	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+Cl"	34.969402
"1281541"	322.194302	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Cl"	34.969402
"27016"	611.398406	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M-2H+K"	36.948606
"465481"	898.623306	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M-2H+K"	36.948606
"844377"	324.173506	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-2H+K"	36.948606
"1563490"	324.173506	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+K-2H"	36.948606
"952467"	332.223094	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-H+HCOOH"	44.998194
"370686"	619.448001	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+HCOOH-H"	44.998201
"356395"	633.463651	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+Hac-H"	59.013851
"1505594"	346.238751	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Hac-H"	59.013851
"971676"	354.205051	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-H+NaCOOH"	66.980151
"117673"	322.194302	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+2Cl"	69.938804
"556137"	465.806752	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+2Cl"	69.938804
"1029308"	178.581852	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2Cl"	69.938804
"1246703"	366.143785	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Br"	78.918885
"1307326"	368.199772	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Cl+HCOOH"	80.974872
"1324460"	390.181729	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Cl+NaCOOH"	102.956829
"922079"	400.210486	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M-H+CF3COOH"	112.985586
"1300975"	436.187164	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Cl+CF3COOH"	148.962264
"1380960"	252.212224	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H-2H2O"	-35.012676
"1395173"	270.2222	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H-H2O"	-17.0027
"295587"	575.457076	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+H"	1.007276
"686557"	862.681976	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+H"	1.007276
"1365089"	288.232176	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H"	1.007276
"141220"	288.232176	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+2H"	2.014552
"581255"	431.844626	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+2H"	2.014552
"1049991"	144.619726	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2H"	2.014552
"219478"	192.490542666667	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+3H"	3.021828
"659806"	288.232176	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+3H"	3.021828
"1176671"	96.7489093333333	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+3H"	3.021828
"438853"	592.483623	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+NH4"	18.033823
"798388"	879.708523	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+NH4"	18.033823
"1695817"	305.258723	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+NH4"	18.033823
"342999"	296.7454495	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+H+NH4"	19.041099
"735423"	440.3578995	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+H+NH4"	19.041099
"1490337"	153.1329995	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H+NH4"	19.041099
"405738"	597.439018	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+Na"	22.989218
"768920"	884.663918	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+Na"	22.989218
"1616651"	310.214118	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Na"	22.989218
"327049"	299.223147	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+H+Na"	23.996494
"719472"	442.835597	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+H+Na"	23.996494
"1472198"	155.610697	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H+Na"	23.996494
"1064353"	104.076223333333	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2H+Na"	25.00377
"1268218"	320.258386	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+CH3OH+H"	33.033486
"389710"	613.412958	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+K"	38.963158
"748883"	900.637858	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+K"	38.963158
"1553124"	326.188058	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+K"	38.963158
"311761"	307.210117	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+H+K"	39.970434
"703817"	450.822567	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+H+K"	39.970434
"1454354"	163.597667	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H+K"	39.970434
"247336"	616.483626	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+ACN+H"	42.033826
"1222233"	329.258726	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+ACN+H"	42.033826
"1205752"	165.133001	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+ACN+2H"	43.041102
"200081"	619.42096	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+2Na-H"	44.97116
"641099"	906.64586	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+2Na-H"	44.97116
"1137683"	332.19606	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2Na-H"	44.97116
"185719"	310.214118	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+2Na"	45.978436
"625279"	453.826568	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+2Na"	45.978436
"1125138"	166.601668	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2Na"	45.978436
"1407569"	111.403537333333	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H+2Na"	46.985712
"1444426"	334.237646	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H+HCOOH"	47.012746
"228291"	315.24714	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+3H2O+2H"	56.04448
"1513073"	348.28969	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+IsoProp+H"	61.06479
"417863"	318.201088	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+Na+K"	61.952376
"781410"	461.813538	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+Na+K"	61.952376
"1675552"	174.588638	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Na+K"	61.952376
"264260"	638.465568	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+ACN+Na"	64.015768
"1239521"	351.240668	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+ACN+Na"	64.015768
"1723668"	351.264193	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+NH4+HCOOH"	64.039293
"1187929"	118.730851333333	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+3Na"	68.967654
"1661104"	356.219588	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Na+HCOOH"	68.994688
"165777"	651.36884	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+2K-H"	76.91904
"609349"	938.59374	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+2K-H"	76.91904
"1092040"	364.14394	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2K-H"	76.91904
"146669"	326.188058	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"2M+2K"	77.926316
"586230"	469.800508	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"3M+2K"	77.926316
"1070740"	182.575608	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2K"	77.926316
"1108325"	366.158492	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2K+H"	78.933592
"1343618"	366.246107	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+DMSO+H"	79.021207
"1016518"	370.285276	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2ACN+H"	83.060376
"1536469"	371.278908	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+IsoProp+Na+H"	84.054008
"1001091"	185.646276	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+2ACN+2H"	84.067652
"1596690"	372.193528	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+K+HCOOH"	84.968628
"1421255"	402.225038	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+H+CF3COOH"	115.000138
"1152637"	206.159551	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+3ACN+2H"	125.094202
"1706563"	419.251585	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+NH4+CF3COOH"	132.026685
"1637840"	424.20698	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+Na+CF3COOH"	136.98208
"1576771"	440.18092	"C07378"	"Procyclidine"	"C19H29NO"	"287.2249"	"M+K+CF3COOH"	152.95602
"816502"	284.1347	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M"	0
"987233"	265.11631	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-H2O-H"	-19.01839
"75476"	188.415857333333	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M-3H"	-3.021828
"516130"	283.127424	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M-3H"	-3.021828
"894428"	93.7042906666667	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-3H"	-3.021828
"14698"	283.127424	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M-2H"	-2.014552
"454866"	425.194774	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M-2H"	-2.014552
"830606"	141.060074	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-2H"	-2.014552
"90598"	567.262124	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M-H"	-1.007276
"528336"	851.396824	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M-H"	-1.007276
"905044"	283.127424	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-H"	-1.007276
"55046"	584.288671	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M-2H+NH4"	16.019271
"495703"	868.423371	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M-2H+NH4"	16.019271
"866945"	300.153971	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-2H+NH4"	16.019271
"41405"	589.244066	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M-2H+Na"	20.974666
"482788"	873.378766	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M-2H+Na"	20.974666
"858767"	305.109366	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-2H+Na"	20.974666
"1632799"	305.109366	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Na-2H"	20.974666
"105925"	301.115763	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M-H+Cl"	33.962126
"548037"	443.183113	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M-H+Cl"	33.962126
"938635"	159.048413	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-H+Cl"	33.962126
"281082"	603.238802	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+Cl"	34.969402
"672895"	887.373502	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+Cl"	34.969402
"1285298"	319.104102	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Cl"	34.969402
"28220"	605.218006	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M-2H+K"	36.948606
"464499"	889.352706	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M-2H+K"	36.948606
"846674"	321.083306	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-2H+K"	36.948606
"1565787"	321.083306	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+K-2H"	36.948606
"953670"	329.132894	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-H+HCOOH"	44.998194
"372982"	613.267601	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+HCOOH-H"	44.998201
"360151"	627.283251	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+Hac-H"	59.013851
"1502421"	343.148551	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Hac-H"	59.013851
"971423"	351.114851	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-H+NaCOOH"	66.980151
"113771"	319.104102	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+2Cl"	69.938804
"558436"	461.171452	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+2Cl"	69.938804
"1033794"	177.036752	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2Cl"	69.938804
"1246082"	363.053585	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Br"	78.918885
"1307435"	365.109572	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Cl+HCOOH"	80.974872
"1324934"	387.091529	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Cl+NaCOOH"	102.956829
"920003"	397.120286	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M-H+CF3COOH"	112.985586
"1299992"	433.096964	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Cl+CF3COOH"	148.962264
"1381313"	249.122024	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H-2H2O"	-35.012676
"1395282"	267.132	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H-H2O"	-17.0027
"296061"	569.276676	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+H"	1.007276
"690432"	853.411376	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+H"	1.007276
"1366780"	285.141976	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H"	1.007276
"140942"	285.141976	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+2H"	2.014552
"581105"	427.209326	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+2H"	2.014552
"1052577"	143.074626	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2H"	2.014552
"219344"	190.430409333333	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+3H"	3.021828
"659635"	285.141976	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+3H"	3.021828
"1177146"	95.7188426666667	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+3H"	3.021828
"435316"	586.303223	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+NH4"	18.033823
"798498"	870.437923	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+NH4"	18.033823
"1696294"	302.168523	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+NH4"	18.033823
"342016"	293.6552495	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+H+NH4"	19.041099
"737965"	435.7225995	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+H+NH4"	19.041099
"1488258"	151.5878995	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H+NH4"	19.041099
"407793"	591.258618	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+Na"	22.989218
"769355"	875.393318	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+Na"	22.989218
"1616766"	307.123918	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Na"	22.989218
"327159"	296.132947	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+H+Na"	23.996494
"721528"	438.200297	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+H+Na"	23.996494
"1472309"	154.065597	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H+Na"	23.996494
"1066650"	103.046156666667	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2H+Na"	25.00377
"1272224"	317.168186	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+CH3OH+H"	33.033486
"391278"	607.232558	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+K"	38.963158
"751180"	891.367258	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+K"	38.963158
"1552141"	323.097858	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+K"	38.963158
"308225"	304.119917	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+H+K"	39.970434
"701741"	446.187267	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+H+K"	39.970434
"1457743"	162.052567	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H+K"	39.970434
"244165"	610.303226	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+ACN+H"	42.033826
"1223073"	326.168526	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+ACN+H"	42.033826
"1207322"	163.587901	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+ACN+2H"	43.041102
"200189"	613.24056	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+2Na-H"	44.97116
"642667"	897.37526	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+2Na-H"	44.97116
"1145445"	329.10586	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2Na-H"	44.97116
"181088"	307.123918	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+2Na"	45.978436
"626482"	449.191268	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+2Na"	45.978436
"1126341"	165.056568	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2Na"	45.978436
"1412052"	110.373470666667	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H+2Na"	46.985712
"1441982"	331.147446	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H+HCOOH"	47.012746
"228401"	312.15694	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+3H2O+2H"	56.04448
"1513183"	345.19949	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+IsoProp+H"	61.06479
"418337"	315.110888	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+Na+K"	61.952376
"779332"	457.178238	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+Na+K"	61.952376
"1675662"	173.043538	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Na+K"	61.952376
"261820"	632.285168	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+ACN+Na"	64.015768
"1239633"	348.150468	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+ACN+Na"	64.015768
"1722686"	348.173993	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+NH4+HCOOH"	64.039293
"1186945"	117.700784666667	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+3Na"	68.967654
"1657933"	353.129388	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Na+HCOOH"	68.994688
"165887"	645.18844	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+2K-H"	76.91904
"603260"	929.32314	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+2K-H"	76.91904
"1088869"	361.05374	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2K-H"	76.91904
"143495"	323.097858	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"2M+2K"	77.926316
"583058"	465.165208	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"3M+2K"	77.926316
"1071944"	181.030508	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2K"	77.926316
"1104063"	363.068292	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2K+H"	78.933592
"1342635"	363.155907	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+DMSO+H"	79.021207
"1015537"	367.195076	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2ACN+H"	83.060376
"1534391"	368.188708	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+IsoProp+Na+H"	84.054008
"1000108"	184.101176	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+2ACN+2H"	84.067652
"1594614"	369.103328	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+K+HCOOH"	84.968628
"1424646"	399.134838	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+H+CF3COOH"	115.000138
"1157120"	204.614451	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+3ACN+2H"	125.094202
"1705580"	416.161385	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+NH4+CF3COOH"	132.026685
"1637950"	421.11678	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+Na+CF3COOH"	136.98208
"1575787"	437.09072	"C07379"	"Promazine"	"C17H20N2S"	"284.1347"	"M+K+CF3COOH"	152.95602
"816727"	341.1991	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M"	0
"981876"	322.18071	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-H2O-H"	-19.01839
"74492"	226.458790666667	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M-3H"	-3.021828
"516240"	340.191824	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M-3H"	-3.021828
"895020"	112.725757333333	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-3H"	-3.021828
"13713"	340.191824	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M-2H"	-2.014552
"452181"	510.791374	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M-2H"	-2.014552
"831080"	169.592274	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-2H"	-2.014552
"92532"	681.390924	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M-H"	-1.007276
"529538"	1022.590024	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M-H"	-1.007276
"905884"	340.191824	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-H"	-1.007276
"58436"	698.417471	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M-2H+NH4"	16.019271
"496905"	1039.616571	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M-2H+NH4"	16.019271
"875802"	357.218371	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-2H+NH4"	16.019271
"42608"	703.372866	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M-2H+Na"	20.974666
"483262"	1044.571966	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M-2H+Na"	20.974666
"861064"	362.173766	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-2H+Na"	20.974666
"1628410"	362.173766	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Na-2H"	20.974666
"109442"	358.180163	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M-H+Cl"	33.962126
"548878"	528.779713	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M-H+Cl"	33.962126
"941296"	187.580613	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-H+Cl"	33.962126
"281922"	717.367602	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+Cl"	34.969402
"673369"	1058.566702	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+Cl"	34.969402
"1285772"	376.168502	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Cl"	34.969402
"27235"	719.346806	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M-2H+K"	36.948606
"465701"	1060.545906	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M-2H+K"	36.948606
"844597"	378.147706	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-2H+K"	36.948606
"1567721"	378.147706	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+K-2H"	36.948606
"948676"	386.197294	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-H+HCOOH"	44.998194
"370906"	727.396401	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+HCOOH-H"	44.998201
"360869"	741.412051	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+Hac-H"	59.013851
"1503260"	400.212951	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Hac-H"	59.013851
"973723"	408.179251	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-H+NaCOOH"	66.980151
"120079"	376.168502	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+2Cl"	69.938804
"559639"	546.768052	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+2Cl"	69.938804
"1033905"	205.568952	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2Cl"	69.938804
"1244371"	420.117985	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Br"	78.918885
"1306452"	422.173972	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Cl+HCOOH"	80.974872
"1322129"	444.155929	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Cl+NaCOOH"	102.956829
"921207"	454.184686	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M-H+CF3COOH"	112.985586
"1300831"	490.161364	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Cl+CF3COOH"	148.962264
"1381667"	306.186424	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H-2H2O"	-35.012676
"1394299"	324.1964	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H-H2O"	-17.0027
"295807"	683.405476	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+H"	1.007276
"690784"	1024.604576	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+H"	1.007276
"1366038"	342.206376	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H"	1.007276
"140400"	342.206376	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+2H"	2.014552
"580684"	512.805926	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+2H"	2.014552
"1052713"	171.606826	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2H"	2.014552
"218117"	228.473342666667	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+3H"	3.021828
"659135"	342.206376	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+3H"	3.021828
"1177866"	114.740309333333	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+3H"	3.021828
"437249"	700.432023	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+NH4"	18.033823
"797515"	1041.631123	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+NH4"	18.033823
"1694576"	359.232923	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+NH4"	18.033823
"342124"	350.7196495	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+H+NH4"	19.041099
"734549"	521.3191995	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+H+NH4"	19.041099
"1492014"	180.1200995	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H+NH4"	19.041099
"406685"	705.387418	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+Na"	22.989218
"769848"	1046.586518	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+Na"	22.989218
"1618250"	364.188318	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Na"	22.989218
"326177"	353.197347	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+H+Na"	23.996494
"721881"	523.796897	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+H+Na"	23.996494
"1472419"	182.597797	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H+Na"	23.996494
"1067127"	122.067623333333	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2H+Na"	25.00377
"1272088"	374.232586	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+CH3OH+H"	33.033486
"388107"	721.361358	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+K"	38.963158
"751290"	1062.560458	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+K"	38.963158
"1554439"	380.162258	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+K"	38.963158
"310522"	361.184317	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+H+K"	39.970434
"702943"	531.783867	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+H+K"	39.970434
"1456760"	190.584767	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H+K"	39.970434
"248649"	724.432026	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+ACN+H"	42.033826
"1224642"	383.232926	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+ACN+H"	42.033826
"1208527"	192.120101	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+ACN+2H"	43.041102
"203583"	727.36936	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+2Na-H"	44.97116
"643144"	1068.56846	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+2Na-H"	44.97116
"1145920"	386.17026	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2Na-H"	44.97116
"181198"	364.188318	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+2Na"	45.978436
"627816"	534.787868	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+2Na"	45.978436
"1128640"	193.588768	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2Na"	45.978436
"1411069"	129.394937333333	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H+2Na"	46.985712
"1442092"	388.211846	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H+HCOOH"	47.012746
"232521"	369.22134	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+3H2O+2H"	56.04448
"1514387"	402.26389	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+IsoProp+H"	61.06479
"414074"	372.175288	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+Na+K"	61.952376
"776162"	542.774838	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+Na+K"	61.952376
"1673586"	201.575738	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Na+K"	61.952376
"261930"	746.413968	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+ACN+Na"	64.015768
"1236463"	405.214868	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+ACN+Na"	64.015768
"1723160"	405.238393	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+NH4+HCOOH"	64.039293
"1188149"	136.722251333333	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+3Na"	68.967654
"1655857"	410.193788	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Na+HCOOH"	68.994688
"166364"	759.31724	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+2K-H"	76.91904
"602281"	1100.51634	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+2K-H"	76.91904
"1087886"	418.11814	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2K-H"	76.91904
"142637"	380.162258	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"2M+2K"	77.926316
"584263"	550.761808	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"3M+2K"	77.926316
"1073150"	209.562708	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2K"	77.926316
"1107454"	420.132692	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2K+H"	78.933592
"1343838"	420.220307	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+DMSO+H"	79.021207
"1015646"	424.259476	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2ACN+H"	83.060376
"1533771"	425.253108	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+IsoProp+Na+H"	84.054008
"999124"	212.633376	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+2ACN+2H"	84.067652
"1596910"	426.167728	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+K+HCOOH"	84.968628
"1424755"	456.199238	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+H+CF3COOH"	115.000138
"1156137"	233.146651	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+3ACN+2H"	125.094202
"1705690"	473.225785	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+NH4+CF3COOH"	132.026685
"1638060"	478.18118	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+Na+CF3COOH"	136.98208
"1574804"	494.15512	"C07381"	"Propafenone"	"C21H27NO3"	"341.1991"	"M+K+CF3COOH"	152.95602
"815017"	294.1943	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M"	0
"985268"	275.17591	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-H2O-H"	-19.01839
"70229"	195.122257333333	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M-3H"	-3.021828
"516714"	293.187024	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M-3H"	-3.021828
"894641"	97.0574906666667	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-3H"	-3.021828
"15676"	293.187024	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M-2H"	-2.014552
"452293"	440.284174	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M-2H"	-2.014552
"824628"	146.089874	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-2H"	-2.014552
"91180"	587.381324	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M-H"	-1.007276
"528555"	881.575624	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M-H"	-1.007276
"905265"	293.187024	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-H"	-1.007276
"59639"	604.407871	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M-2H+NH4"	16.019271
"497015"	898.602171	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M-2H+NH4"	16.019271
"878463"	310.213571	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-2H+NH4"	16.019271
"45999"	609.363266	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M-2H+Na"	20.974666
"486950"	903.557566	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M-2H+Na"	20.974666
"863606"	315.168966	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-2H+Na"	20.974666
"1633830"	315.168966	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Na-2H"	20.974666
"109714"	311.175363	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M-H+Cl"	33.962126
"549352"	458.272513	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M-H+Cl"	33.962126
"941651"	164.078213	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-H+Cl"	33.962126
"282478"	623.358002	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+Cl"	34.969402
"675264"	917.552302	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+Cl"	34.969402
"1287708"	329.163702	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Cl"	34.969402
"29535"	625.337206	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M-2H+K"	36.948606
"465812"	919.531506	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M-2H+K"	36.948606
"846894"	331.142906	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-2H+K"	36.948606
"1570018"	331.142906	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+K-2H"	36.948606
"954984"	339.192494	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-H+HCOOH"	44.998194
"366272"	633.386801	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+HCOOH-H"	44.998201
"358545"	647.402451	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+Hac-H"	59.013851
"1508376"	353.208151	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Hac-H"	59.013851
"973106"	361.174451	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-H+NaCOOH"	66.980151
"123469"	329.163702	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+2Cl"	69.938804
"563758"	476.260852	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+2Cl"	69.938804
"1035110"	182.066552	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2Cl"	69.938804
"1247033"	373.113185	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Br"	78.918885
"1309481"	375.169172	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Cl+HCOOH"	80.974872
"1322604"	397.151129	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Cl+NaCOOH"	102.956829
"919130"	407.179886	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M-H+CF3COOH"	112.985586
"1300576"	443.156564	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Cl+CF3COOH"	148.962264
"1381656"	259.181624	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H-2H2O"	-35.012676
"1394409"	277.1916	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H-H2O"	-17.0027
"295917"	589.395876	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+H"	1.007276
"689071"	883.590176	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+H"	1.007276
"1363961"	295.201576	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H"	1.007276
"141389"	295.201576	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+2H"	2.014552
"581122"	442.298726	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+2H"	2.014552
"1052150"	148.104426	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2H"	2.014552
"218959"	197.136809333333	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+3H"	3.021828
"659494"	295.201576	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+3H"	3.021828
"1177003"	99.0720426666667	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+3H"	3.021828
"434443"	606.422423	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+NH4"	18.033823
"798354"	900.616723	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+NH4"	18.033823
"1694686"	312.228123	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+NH4"	18.033823
"338954"	303.7148495	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+H+NH4"	19.041099
"738107"	450.8119995	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+H+NH4"	19.041099
"1490668"	156.6176995	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H+NH4"	19.041099
"407526"	611.377818	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+Na"	22.989218
"769574"	905.572118	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+Na"	22.989218
"1618388"	317.183518	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Na"	22.989218
"329795"	306.192547	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+H+Na"	23.996494
"722400"	453.289697	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+H+Na"	23.996494
"1477013"	159.095397	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H+Na"	23.996494
"1067237"	106.399356666667	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2H+Na"	25.00377
"1272239"	327.227786	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+CH3OH+H"	33.033486
"391137"	627.351758	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+K"	38.963158
"750307"	921.546058	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+K"	38.963158
"1552363"	333.157458	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+K"	38.963158
"312456"	314.179517	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+H+K"	39.970434
"705972"	461.276667	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+H+K"	39.970434
"1459058"	167.082367	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H+K"	39.970434
"250584"	630.422426	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+ACN+H"	42.033826
"1224388"	336.228126	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+ACN+H"	42.033826
"1207539"	168.617701	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+ACN+2H"	43.041102
"203693"	633.35976	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+2Na-H"	44.97116
"643254"	927.55406	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+2Na-H"	44.97116
"1145302"	339.16546	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2Na-H"	44.97116
"179118"	317.183518	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+2Na"	45.978436
"621960"	464.280668	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+2Na"	45.978436
"1130705"	170.086368	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2Na"	45.978436
"1413380"	113.726670666667	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H+2Na"	46.985712
"1445008"	341.207046	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H+HCOOH"	47.012746
"234455"	322.21654	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+3H2O+2H"	56.04448
"1521423"	355.25909	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+IsoProp+H"	61.06479
"420744"	325.170488	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+Na+K"	61.952376
"778458"	472.267638	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+Na+K"	61.952376
"1679653"	178.073338	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Na+K"	61.952376
"265319"	652.404368	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+ACN+Na"	64.015768
"1239851"	358.210068	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+ACN+Na"	64.015768
"1723999"	358.233593	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+NH4+HCOOH"	64.039293
"1187169"	121.053984666667	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+3Na"	68.967654
"1657061"	363.188988	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Na+HCOOH"	68.994688
"161736"	665.30764	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+2K-H"	76.91904
"603484"	959.50194	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+2K-H"	76.91904
"1086174"	371.11334	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2K-H"	76.91904
"145907"	333.157458	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"2M+2K"	77.926316
"582308"	480.254608	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"3M+2K"	77.926316
"1069856"	186.060308	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2K"	77.926316
"1104279"	373.127892	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2K+H"	78.933592
"1339571"	373.215507	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+DMSO+H"	79.021207
"1010291"	377.254676	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2ACN+H"	83.060376
"1537894"	378.248308	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+IsoProp+Na+H"	84.054008
"1003977"	189.130976	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+2ACN+2H"	84.067652
"1597022"	379.162928	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+K+HCOOH"	84.968628
"1420494"	409.194438	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+H+CF3COOH"	115.000138
"1155154"	209.644251	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+3ACN+2H"	125.094202
"1706893"	426.220985	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+NH4+CF3COOH"	132.026685
"1639263"	431.17638	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+Na+CF3COOH"	136.98208
"1577101"	447.15032	"C07383"	"Proparacaine;Proxymetacaine"	"C16H26N2O3"	"294.1943"	"M+K+CF3COOH"	152.95602
"816584"	376.1376	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M"	0
"982096"	357.11921	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-H2O-H"	-19.01839
"63289"	249.751124	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M-3H"	-3.021828
"510991"	375.130324	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M-3H"	-3.021828
"884419"	124.371924	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-3H"	-3.021828
"9194"	375.130324	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M-2H"	-2.014552
"449119"	563.199124	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M-2H"	-2.014552
"826923"	187.061524	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-2H"	-2.014552
"90195"	751.267924	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M-H"	-1.007276
"528665"	1127.405524	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M-H"	-1.007276
"907197"	375.130324	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-H"	-1.007276
"58290"	768.294471	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M-2H+NH4"	16.019271
"497125"	1144.432071	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M-2H+NH4"	16.019271
"877723"	392.156871	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-2H+NH4"	16.019271
"45504"	773.249866	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M-2H+Na"	20.974666
"487050"	1149.387466	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M-2H+Na"	20.974666
"862380"	397.112266	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-2H+Na"	20.974666
"1632278"	397.112266	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Na-2H"	20.974666
"109874"	393.118663	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M-H+Cl"	33.962126
"549827"	581.187463	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M-H+Cl"	33.962126
"941274"	205.049863	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-H+Cl"	33.962126
"282590"	787.244602	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+Cl"	34.969402
"675297"	1163.382202	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+Cl"	34.969402
"1288305"	411.107002	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Cl"	34.969402
"30941"	789.223806	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M-2H+K"	36.948606
"465922"	1165.361406	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M-2H+K"	36.948606
"847815"	413.086206	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-2H+K"	36.948606
"1569399"	413.086206	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+K-2H"	36.948606
"952908"	421.135794	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-H+HCOOH"	44.998194
"365654"	797.273401	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+HCOOH-H"	44.998201
"358655"	811.289051	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+Hac-H"	59.013851
"1508108"	435.151451	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Hac-H"	59.013851
"973703"	443.117751	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-H+NaCOOH"	66.980151
"122485"	411.107002	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+2Cl"	69.938804
"563502"	599.175802	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+2Cl"	69.938804
"1035705"	223.038202	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2Cl"	69.938804
"1249329"	455.056485	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Br"	78.918885
"1306309"	457.112472	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Cl+HCOOH"	80.974872
"1332554"	479.094429	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Cl+NaCOOH"	102.956829
"920332"	489.123186	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M-H+CF3COOH"	112.985586
"1301050"	525.099864	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Cl+CF3COOH"	148.962264
"1379576"	341.124924	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H-2H2O"	-35.012676
"1395248"	359.1349	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H-H2O"	-17.0027
"292747"	753.282476	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+H"	1.007276
"690763"	1129.420076	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+H"	1.007276
"1362977"	377.144876	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H"	1.007276
"140744"	377.144876	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+2H"	2.014552
"580062"	565.213676	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+2H"	2.014552
"1052018"	189.076076	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2H"	2.014552
"218705"	251.765676	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+3H"	3.021828
"658266"	377.144876	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+3H"	3.021828
"1176992"	126.386476	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+3H"	3.021828
"434553"	770.309023	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+NH4"	18.033823
"797735"	1146.446623	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+NH4"	18.033823
"1694067"	394.171423	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+NH4"	18.033823
"341251"	385.6581495	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+H+NH4"	19.041099
"736594"	573.7269495	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+H+NH4"	19.041099
"1491506"	197.5893495	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H+NH4"	19.041099
"405814"	775.264418	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+Na"	22.989218
"767537"	1151.402018	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+Na"	22.989218
"1616849"	399.126818	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Na"	22.989218
"327496"	388.135847	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+H+Na"	23.996494
"722104"	576.204647	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+H+Na"	23.996494
"1476736"	200.067047	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H+Na"	23.996494
"1067468"	133.71379	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2H+Na"	25.00377
"1268659"	409.171086	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+CH3OH+H"	33.033486
"391733"	791.238358	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+K"	38.963158
"750417"	1167.375958	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+K"	38.963158
"1550286"	415.100758	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+K"	38.963158
"311473"	396.122817	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+H+K"	39.970434
"704259"	584.191617	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+H+K"	39.970434
"1454795"	208.054017	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H+K"	39.970434
"247776"	794.309026	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+ACN+H"	42.033826
"1225351"	418.171426	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+ACN+H"	42.033826
"1208016"	209.589351	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+ACN+2H"	43.041102
"203565"	797.24636	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+2Na-H"	44.97116
"641541"	1173.38396	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+2Na-H"	44.97116
"1146673"	421.10876	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2Na-H"	44.97116
"179227"	399.126818	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+2Na"	45.978436
"622070"	587.195618	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+2Na"	45.978436
"1125576"	211.058018	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2Na"	45.978436
"1412015"	141.041104	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H+2Na"	46.985712
"1444147"	423.150346	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H+HCOOH"	47.012746
"234814"	404.15984	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+3H2O+2H"	56.04448
"1520804"	437.20239	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+IsoProp+H"	61.06479
"420854"	407.113788	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+Na+K"	61.952376
"779661"	595.182588	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+Na+K"	61.952376
"1679274"	219.044988	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Na+K"	61.952376
"265429"	816.290968	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+ACN+Na"	64.015768
"1239355"	440.153368	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+ACN+Na"	64.015768
"1721923"	440.176893	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+NH4+HCOOH"	64.039293
"1186185"	148.368418	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+3Na"	68.967654
"1658265"	445.132288	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Na+HCOOH"	68.994688
"160752"	829.19424	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+2K-H"	76.91904
"603594"	1205.33184	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+2K-H"	76.91904
"1086284"	453.05664	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2K-H"	76.91904
"146017"	415.100758	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"2M+2K"	77.926316
"582539"	603.169558	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"3M+2K"	77.926316
"1073366"	227.031958	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2K"	77.926316
"1101230"	455.071192	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2K+H"	78.933592
"1340774"	455.158807	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+DMSO+H"	79.021207
"1011494"	459.197976	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2ACN+H"	83.060376
"1535817"	460.191608	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+IsoProp+Na+H"	84.054008
"1004451"	230.102626	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+2ACN+2H"	84.067652
"1597132"	461.106228	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+K+HCOOH"	84.968628
"1423884"	491.137738	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+H+CF3COOH"	115.000138
"1154171"	250.615901	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+3ACN+2H"	125.094202
"1707003"	508.164285	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+NH4+CF3COOH"	132.026685
"1638280"	513.11968	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+Na+CF3COOH"	136.98208
"1576118"	529.09362	"C07384"	"Propiomazine hydrochloride;Largon"	"C20H24N2OSHCl"	"376.1376"	"M+K+CF3COOH"	152.95602
"815600"	594.1825	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M"	0
"978927"	575.16411	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-H2O-H"	-19.01839
"63888"	395.114390666667	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M-3H"	-3.021828
"512195"	593.175224	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M-3H"	-3.021828
"891091"	197.053557333333	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-3H"	-3.021828
"10762"	593.175224	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M-2H"	-2.014552
"449229"	890.266474	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M-2H"	-2.014552
"829220"	296.083974	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-2H"	-2.014552
"91400"	1187.357724	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M-H"	-1.007276
"527681"	1781.540224	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M-H"	-1.007276
"908765"	593.175224	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-H"	-1.007276
"60712"	1204.384271	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M-2H+NH4"	16.019271
"497235"	1798.566771	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M-2H+NH4"	16.019271
"878931"	610.201771	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-2H+NH4"	16.019271
"45979"	1209.339666	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M-2H+Na"	20.974666
"486762"	1803.522166	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M-2H+Na"	20.974666
"862491"	615.157166	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-2H+Na"	20.974666
"1631902"	615.157166	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Na-2H"	20.974666
"108067"	611.163563	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M-H+Cl"	33.962126
"549536"	908.254813	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M-H+Cl"	33.962126
"940168"	314.072313	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-H+Cl"	33.962126
"280183"	1223.334402	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+Cl"	34.969402
"675368"	1817.516902	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+Cl"	34.969402
"1288394"	629.151902	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Cl"	34.969402
"30729"	1225.313606	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M-2H+K"	36.948606
"467126"	1819.496106	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M-2H+K"	36.948606
"847844"	631.131106	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-2H+K"	36.948606
"1570602"	631.131106	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+K-2H"	36.948606
"949738"	639.180694	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-H+HCOOH"	44.998194
"365033"	1233.363201	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+HCOOH-H"	44.998201
"359134"	1247.378851	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+Hac-H"	59.013851
"1503593"	653.196351	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Hac-H"	59.013851
"967853"	661.162651	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-H+NaCOOH"	66.980151
"120043"	629.151902	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+2Cl"	69.938804
"554498"	926.243152	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+2Cl"	69.938804
"1029858"	332.060652	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2Cl"	69.938804
"1249439"	673.101385	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Br"	78.918885
"1306419"	675.157372	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Cl+HCOOH"	80.974872
"1330476"	697.139329	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Cl+NaCOOH"	102.956829
"917161"	707.168086	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M-H+CF3COOH"	112.985586
"1299336"	743.144764	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Cl+CF3COOH"	148.962264
"1380781"	559.169824	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H-2H2O"	-35.012676
"1392806"	577.1798	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H-H2O"	-17.0027
"290305"	1189.372276	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+H"	1.007276
"690264"	1783.554776	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+H"	1.007276
"1362358"	595.189776	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H"	1.007276
"141097"	595.189776	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+2H"	2.014552
"580292"	892.281026	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+2H"	2.014552
"1051524"	298.098526	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2H"	2.014552
"218449"	397.128942666667	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+3H"	3.021828
"658377"	595.189776	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+3H"	3.021828
"1177345"	199.068109333333	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+3H"	3.021828
"437947"	1206.398823	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+NH4"	18.033823
"795658"	1800.581323	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+NH4"	18.033823
"1695273"	612.216323	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+NH4"	18.033823
"341361"	603.7030495	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+H+NH4"	19.041099
"737801"	900.7942995	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+H+NH4"	19.041099
"1491740"	306.6117995	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H+NH4"	19.041099
"407017"	1211.354218	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+Na"	22.989218
"769229"	1805.536718	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+Na"	22.989218
"1616475"	617.171718	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Na"	22.989218
"328578"	606.180747	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+H+Na"	23.996494
"721486"	903.271997	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+H+Na"	23.996494
"1473846"	309.089497	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H+Na"	23.996494
"1064904"	206.395423333333	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2H+Na"	25.00377
"1266582"	627.215986	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+CH3OH+H"	33.033486
"392087"	1227.328158	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+K"	38.963158
"750527"	1821.510658	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+K"	38.963158
"1553314"	633.145658	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+K"	38.963158
"312680"	614.167717	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+H+K"	39.970434
"704734"	911.258967	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+H+K"	39.970434
"1454905"	317.076467	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H+K"	39.970434
"249832"	1230.398826	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+ACN+H"	42.033826
"1225308"	636.216326	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+ACN+H"	42.033826
"1209753"	318.611801	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+ACN+2H"	43.041102
"202091"	1233.33616	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+2Na-H"	44.97116
"642014"	1827.51866	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+2Na-H"	44.97116
"1146823"	639.15366	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2Na-H"	44.97116
"186506"	617.171718	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+2Na"	45.978436
"618894"	914.262968	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+2Na"	45.978436
"1125686"	320.080468	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2Na"	45.978436
"1411883"	213.722737333333	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H+2Na"	46.985712
"1444253"	641.195246	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H+HCOOH"	47.012746
"226290"	622.20474	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+3H2O+2H"	56.04448
"1520185"	655.24729	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+IsoProp+H"	61.06479
"421331"	625.158688	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+Na+K"	61.952376
"779772"	922.249938	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+Na+K"	61.952376
"1679389"	328.067438	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Na+K"	61.952376
"264814"	1252.380768	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+ACN+Na"	64.015768
"1238251"	658.198268	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+ACN+Na"	64.015768
"1722036"	658.221793	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+NH4+HCOOH"	64.039293
"1186293"	221.050051333333	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+3Na"	68.967654
"1657282"	663.177188	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Na+HCOOH"	68.994688
"160864"	1265.28404	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+2K-H"	76.91904
"603706"	1859.46654	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+2K-H"	76.91904
"1086031"	671.10154	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2K-H"	76.91904
"145035"	633.145658	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"2M+2K"	77.926316
"582406"	930.236908	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"3M+2K"	77.926316
"1069471"	336.054408	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2K"	77.926316
"1103406"	673.116092	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2K+H"	78.933592
"1340886"	673.203707	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+DMSO+H"	79.021207
"1015979"	677.242876	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2ACN+H"	83.060376
"1535198"	678.236508	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+IsoProp+Na+H"	84.054008
"1001646"	339.125076	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+2ACN+2H"	84.067652
"1598334"	679.151128	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+K+HCOOH"	84.968628
"1419621"	709.182638	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+H+CF3COOH"	115.000138
"1154282"	359.638351	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+3ACN+2H"	125.094202
"1706019"	726.209185	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+NH4+CF3COOH"	132.026685
"1639483"	731.16458	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+Na+CF3COOH"	136.98208
"1575135"	747.13852	"C07389"	"Pyrantel pamoate"	"C23H16O6C11H14N2S"	"594.1825"	"M+K+CF3COOH"	152.95602
"814254"	248.0829	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M"	0
"982317"	229.06451	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-H2O-H"	-19.01839
"65092"	164.381324	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M-3H"	-3.021828
"509025"	247.075624	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M-3H"	-3.021828
"890107"	81.687024	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-3H"	-3.021828
"9779"	247.075624	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M-2H"	-2.014552
"446058"	371.117074	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M-2H"	-2.014552
"826047"	123.034174	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-2H"	-2.014552
"91144"	495.158524	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M-H"	-1.007276
"533142"	743.241424	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M-H"	-1.007276
"909849"	247.075624	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-H"	-1.007276
"61063"	512.185071	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M-2H+NH4"	16.019271
"500261"	760.267971	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M-2H+NH4"	16.019271
"878674"	264.102171	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-2H+NH4"	16.019271
"44142"	517.140466	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M-2H+Na"	20.974666
"486585"	765.223366	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M-2H+Na"	20.974666
"863497"	269.057566	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-2H+Na"	20.974666
"1633231"	269.057566	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Na-2H"	20.974666
"109147"	265.063963	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M-H+Cl"	33.962126
"549199"	389.105413	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M-H+Cl"	33.962126
"940278"	141.022513	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-H+Cl"	33.962126
"275918"	531.135202	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+Cl"	34.969402
"674790"	779.218102	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+Cl"	34.969402
"1285118"	283.052302	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Cl"	34.969402
"28773"	533.114406	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M-2H+K"	36.948606
"469423"	781.197306	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M-2H+K"	36.948606
"845037"	285.031506	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-2H+K"	36.948606
"1568162"	285.031506	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+K-2H"	36.948606
"949848"	293.081094	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-H+HCOOH"	44.998194
"364050"	541.164001	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+HCOOH-H"	44.998201
"350852"	555.179651	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+Hac-H"	59.013851
"1507713"	307.096751	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Hac-H"	59.013851
"970516"	315.063051	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-H+NaCOOH"	66.980151
"118330"	283.052302	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+2Cl"	69.938804
"561535"	407.093752	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+2Cl"	69.938804
"1033977"	159.010852	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2Cl"	69.938804
"1249549"	327.001785	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Br"	78.918885
"1306163"	329.057772	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Cl+HCOOH"	80.974872
"1332773"	351.039729	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Cl+NaCOOH"	102.956829
"923832"	361.068486	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M-H+CF3COOH"	112.985586
"1303455"	397.045164	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Cl+CF3COOH"	148.962264
"1382348"	213.070224	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H-2H2O"	-35.012676
"1392916"	231.0802	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H-H2O"	-17.0027
"290415"	497.173076	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+H"	1.007276
"690495"	745.255976	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+H"	1.007276
"1362468"	249.090176	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H"	1.007276
"141238"	249.090176	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+2H"	2.014552
"579675"	373.131626	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+2H"	2.014552
"1051268"	125.048726	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2H"	2.014552
"219292"	166.395876	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+3H"	3.021828
"658851"	249.090176	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+3H"	3.021828
"1177576"	83.701576	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+3H"	3.021828
"439514"	514.199623	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+NH4"	18.033823
"795768"	762.282523	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+NH4"	18.033823
"1696598"	266.116723	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+NH4"	18.033823
"341471"	257.6034495	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+H+NH4"	19.041099
"738152"	381.6448995	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+H+NH4"	19.041099
"1492299"	133.5619995	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H+NH4"	19.041099
"406762"	519.155018	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+Na"	22.989218
"769343"	767.237918	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+Na"	22.989218
"1615489"	271.072118	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Na"	22.989218
"328565"	260.081147	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+H+Na"	23.996494
"720135"	384.122597	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+H+Na"	23.996494
"1473956"	136.039697	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H+Na"	23.996494
"1061733"	91.02889	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2H+Na"	25.00377
"1265599"	281.116386	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+CH3OH+H"	33.033486
"392439"	535.128958	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+K"	38.963158
"750637"	783.211858	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+K"	38.963158
"1552696"	287.046058	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+K"	38.963158
"310965"	268.068117	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+H+K"	39.970434
"701199"	392.109567	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+H+K"	39.970434
"1451738"	144.026667	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H+K"	39.970434
"250680"	538.199626	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+ACN+H"	42.033826
"1224724"	290.116726	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+ACN+H"	42.033826
"1209212"	145.562001	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+ACN+2H"	43.041102
"201837"	541.13696	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+2Na-H"	44.97116
"641396"	789.21986	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+2Na-H"	44.97116
"1145512"	293.05406	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2Na-H"	44.97116
"184909"	271.072118	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+2Na"	45.978436
"617185"	395.113568	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+2Na"	45.978436
"1129929"	147.030668	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2Na"	45.978436
"1410413"	98.356204	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H+2Na"	46.985712
"1443268"	295.095646	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H+HCOOH"	47.012746
"227859"	276.10514	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+3H2O+2H"	56.04448
"1517014"	309.14769	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+IsoProp+H"	61.06479
"415608"	279.059088	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+Na+K"	61.952376
"783162"	403.100538	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+Na+K"	61.952376
"1679372"	155.017638	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Na+K"	61.952376
"260546"	560.181568	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+ACN+Na"	64.015768
"1239087"	312.098668	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+ACN+Na"	64.015768
"1724329"	312.122193	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+NH4+HCOOH"	64.039293
"1189322"	105.683518	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+3Na"	68.967654
"1659579"	317.077588	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Na+HCOOH"	68.994688
"166438"	573.08484	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+2K-H"	76.91904
"604909"	821.16774	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+2K-H"	76.91904
"1087234"	325.00194	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2K-H"	76.91904
"146238"	287.046058	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"2M+2K"	77.926316
"584703"	411.087508	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"3M+2K"	77.926316
"1071404"	163.004608	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2K"	77.926316
"1103519"	327.016492	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2K+H"	78.933592
"1339904"	327.104107	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+DMSO+H"	79.021207
"1013901"	331.143276	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2ACN+H"	83.060376
"1535307"	332.136908	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+IsoProp+Na+H"	84.054008
"999568"	166.075276	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+2ACN+2H"	84.067652
"1598444"	333.051528	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+K+HCOOH"	84.968628
"1417544"	363.083038	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+H+CF3COOH"	115.000138
"1156579"	186.588551	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+3ACN+2H"	125.094202
"1706129"	380.109585	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+NH4+CF3COOH"	132.026685
"1639593"	385.06498	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+Na+CF3COOH"	136.98208
"1576338"	401.03892	"C07391"	"Pyrimethamine"	"C12H13ClN4"	"248.0829"	"M+K+CF3COOH"	152.95602
"816755"	332.2351	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M"	0
"982427"	313.21671	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"67389"	220.482790666667	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"512415"	331.227824	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"886937"	109.737757333333	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"4420"	331.227824	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"445074"	497.345374	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"828711"	165.110274	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"90891"	663.462924	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"531912"	995.698024	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"907889"	331.227824	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"61173"	680.489471	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"501102"	1012.724571	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"877445"	348.254371	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"46809"	685.444866	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"486696"	1017.679966	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"864095"	353.209766	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1633787"	353.209766	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"106583"	349.216163	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"549675"	515.333713	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"940752"	183.098613	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"276028"	699.439602	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"672825"	1031.674702	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1284135"	367.204502	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"30702"	701.418806	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"471262"	1033.653906	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"846242"	369.183706	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1566450"	369.183706	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"947771"	377.233294	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"365984"	709.468401	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"347677"	723.484051	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1506364"	391.248951	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"970626"	399.215251	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"118440"	367.204502	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"561280"	533.322052	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1032265"	201.086952	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1249659"	411.153985	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1307732"	413.209972	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1325229"	435.191929	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"917380"	445.220686	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1297369"	481.197364	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1379904"	297.222424	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1393026"	315.2324	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"290525"	665.477476	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"689147"	997.712576	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1363671"	333.242376	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"140578"	333.242376	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"581116"	499.359926	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1052671"	167.124826	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"219938"	222.497342666667	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"658587"	333.242376	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1175982"	111.752309333333	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"438530"	682.504023	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"795878"	1014.739123	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1695491"	350.268923	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"340488"	341.7556495	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"736920"	507.8731995	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1491834"	175.6380995	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"406872"	687.459418	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"769802"	1019.694518	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1616691"	355.224318	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"327457"	344.233347	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"721216"	510.350897	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1474793"	178.115797	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1061841"	119.079623333333	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1272643"	365.268586	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"392793"	703.433358	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"750747"	1035.668458	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1554627"	371.198258	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"312534"	352.220317	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"703495"	518.337867	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1455128"	186.102767	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"250907"	706.504026	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1225197"	374.268926	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1208835"	187.638101	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"204141"	709.44136	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"644018"	1041.67646	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1145136"	377.20626	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"185019"	355.224318	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"616931"	521.341868	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1129188"	189.106768	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1408336"	126.406937333333	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1442278"	379.247846	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"226875"	360.25734	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1517124"	393.29989	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"416811"	363.211288	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"785177"	529.328838	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1680332"	197.093738	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"263936"	728.485968	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1238833"	396.250868	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1725169"	396.274393	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1188339"	133.734251333333	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1659689"	401.229788	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"165455"	741.38924	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"603926"	1073.62434	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1084913"	409.15414	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"144162"	371.198258	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"583720"	537.315808	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1071514"	205.080708	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1103627"	411.168692	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1344389"	411.256307	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1012917"	415.295476	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1536146"	416.289108	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"999678"	208.151376	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1600377"	417.203728	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1423121"	447.235238	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1151219"	228.664651	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1704054"	464.261785	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1638610"	469.21718	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1576448"	485.19112	"C07393"	"Oxymetholone"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"815203"	853.331	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M"	0
"982537"	834.31261	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-H2O-H"	-19.01839
"67499"	567.880057333333	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M-3H"	-3.021828
"512525"	852.323724	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M-3H"	-3.021828
"887047"	283.436390666667	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-3H"	-3.021828
"4530"	852.323724	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M-2H"	-2.014552
"445184"	1278.989224	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M-2H"	-2.014552
"828091"	425.658224	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-2H"	-2.014552
"91729"	1705.654724	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M-H"	-1.007276
"532386"	2558.985724	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M-H"	-1.007276
"907999"	852.323724	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-H"	-1.007276
"60919"	1722.681271	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M-2H+NH4"	16.019271
"500846"	2576.012271	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M-2H+NH4"	16.019271
"874275"	869.350271	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-2H+NH4"	16.019271
"45092"	1727.636666	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M-2H+Na"	20.974666
"485746"	2580.967666	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M-2H+Na"	20.974666
"863715"	874.305666	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-2H+Na"	20.974666
"1632352"	874.305666	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Na-2H"	20.974666
"106329"	870.312063	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M-H+Cl"	33.962126
"549579"	1296.977563	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M-H+Cl"	33.962126
"937582"	443.646563	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-H+Cl"	33.962126
"276137"	1741.631402	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+Cl"	34.969402
"669654"	2594.962402	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+Cl"	34.969402
"1284245"	888.300402	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Cl"	34.969402
"30893"	1743.610606	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M-2H+K"	36.948606
"471349"	2596.941606	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M-2H+K"	36.948606
"847974"	890.279606	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-2H+K"	36.948606
"1569839"	890.279606	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+K-2H"	36.948606
"947881"	898.329194	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-H+HCOOH"	44.998194
"366094"	1751.660201	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+HCOOH-H"	44.998201
"346327"	1765.675851	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+Hac-H"	59.013851
"1505017"	912.344851	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Hac-H"	59.013851
"970007"	920.311151	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-H+NaCOOH"	66.980151
"118550"	888.300402	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+2Cl"	69.938804
"560297"	1314.965902	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+2Cl"	69.938804
"1032375"	461.634902	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2Cl"	69.938804
"1246487"	932.249885	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Br"	78.918885
"1306749"	934.305872	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Cl+HCOOH"	80.974872
"1327526"	956.287829	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Cl+NaCOOH"	102.956829
"916397"	966.316586	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M-H+CF3COOH"	112.985586
"1298573"	1002.293264	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Cl+CF3COOH"	148.962264
"1378922"	818.318324	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H-2H2O"	-35.012676
"1393136"	836.3283	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H-H2O"	-17.0027
"290635"	1707.669276	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+H"	1.007276
"689620"	2561.000276	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+H"	1.007276
"1356126"	854.338276	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H"	1.007276
"130107"	854.338276	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+2H"	2.014552
"578418"	1281.003776	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+2H"	2.014552
"1051726"	427.672776	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2H"	2.014552
"217316"	569.894609333333	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+3H"	3.021828
"658697"	854.338276	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+3H"	3.021828
"1177186"	285.450942666667	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+3H"	3.021828
"436088"	1724.695823	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+NH4"	18.033823
"794895"	2578.026823	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+NH4"	18.033823
"1693413"	871.364823	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+NH4"	18.033823
"338411"	862.8515495	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+H+NH4"	19.041099
"734115"	1289.5170495	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+H+NH4"	19.041099
"1487934"	436.1860495	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H+NH4"	19.041099
"404431"	1729.651218	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+Na"	22.989218
"764331"	2582.982218	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+Na"	22.989218
"1613520"	876.320218	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Na"	22.989218
"324651"	865.329247	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+H+Na"	23.996494
"715980"	1291.994747	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+H+Na"	23.996494
"1471987"	438.663747	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H+Na"	23.996494
"1059764"	292.778256666667	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2H+Na"	25.00377
"1263629"	886.364486	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+CH3OH+H"	33.033486
"392701"	1745.625158	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+K"	38.963158
"750857"	2598.956158	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+K"	38.963158
"1553645"	892.294158	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+K"	38.963158
"311186"	873.316217	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+H+K"	39.970434
"704334"	1299.981717	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+H+K"	39.970434
"1455237"	446.650717	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H+K"	39.970434
"241650"	1748.695826	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+ACN+H"	42.033826
"1223115"	895.364826	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+ACN+H"	42.033826
"1207728"	448.186051	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+ACN+2H"	43.041102
"202787"	1751.63316	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+2Na-H"	44.97116
"641616"	2604.96416	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+2Na-H"	44.97116
"1139652"	898.30216	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2Na-H"	44.97116
"182943"	876.320218	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+2Na"	45.978436
"614854"	1302.985718	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+2Na"	45.978436
"1130391"	449.654718	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2Na"	45.978436
"1407353"	300.105570666667	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H+2Na"	46.985712
"1443481"	900.343746	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H+HCOOH"	47.012746
"231358"	881.35324	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+3H2O+2H"	56.04448
"1518327"	914.39579	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+IsoProp+H"	61.06479
"421294"	884.307188	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+Na+K"	61.952376
"781195"	1310.972688	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+Na+K"	61.952376
"1677526"	457.641688	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Na+K"	61.952376
"264046"	1770.677768	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+ACN+Na"	64.015768
"1238214"	917.346768	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+ACN+Na"	64.015768
"1725642"	917.370293	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+NH4+HCOOH"	64.039293
"1188813"	307.432884666667	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+3Na"	68.967654
"1657612"	922.325688	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Na+HCOOH"	68.994688
"167386"	1783.58104	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+2K-H"	76.91904
"605129"	2636.91204	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+2K-H"	76.91904
"1085267"	930.25004	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2K-H"	76.91904
"144272"	892.294158	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"2M+2K"	77.926316
"582978"	1318.959658	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"3M+2K"	77.926316
"1070529"	465.628658	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2K"	77.926316
"1102643"	932.264592	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2K+H"	78.933592
"1344499"	932.352207	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+DMSO+H"	79.021207
"1011934"	936.391376	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2ACN+H"	83.060376
"1534434"	937.385008	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+IsoProp+Na+H"	84.054008
"999788"	468.699326	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+2ACN+2H"	84.067652
"1599758"	938.299628	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+K+HCOOH"	84.968628
"1422138"	968.331138	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+H+CF3COOH"	115.000138
"1151329"	489.212601	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+3ACN+2H"	125.094202
"1704164"	985.357685	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+NH4+CF3COOH"	132.026685
"1636534"	990.31308	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+Na+CF3COOH"	136.98208
"1576558"	1006.28702	"C07394"	"Paclitaxel"	"C47H51NO14"	"853.331"	"M+K+CF3COOH"	152.95602
"817059"	235.0011	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M"	0
"979368"	215.98271	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-H2O-H"	-19.01839
"70890"	155.660124	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M-3H"	-3.021828
"514824"	233.993824	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M-3H"	-3.021828
"895529"	77.326424	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-3H"	-3.021828
"13026"	233.993824	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M-2H"	-2.014552
"453317"	351.494374	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M-2H"	-2.014552
"830757"	116.493274	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-2H"	-2.014552
"89653"	468.994924	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M-H"	-1.007276
"532861"	703.996024	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M-H"	-1.007276
"909570"	233.993824	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-H"	-1.007276
"62245"	486.021471	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M-2H+NH4"	16.019271
"498402"	721.022571	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M-2H+NH4"	16.019271
"874385"	251.020371	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-2H+NH4"	16.019271
"46338"	490.976866	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M-2H+Na"	20.974666
"486220"	725.977966	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M-2H+Na"	20.974666
"863624"	255.975766	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-2H+Na"	20.974666
"1634095"	255.975766	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Na-2H"	20.974666
"109877"	251.982163	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M-H+Cl"	33.962126
"548915"	369.482713	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M-H+Cl"	33.962126
"938419"	134.481613	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-H+Cl"	33.962126
"282652"	504.971602	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+Cl"	34.969402
"674507"	739.972702	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+Cl"	34.969402
"1285450"	269.970502	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Cl"	34.969402
"31137"	506.950806	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M-2H+K"	36.948606
"470485"	741.951906	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M-2H+K"	36.948606
"846952"	271.949706	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-2H+K"	36.948606
"1570558"	271.949706	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+K-2H"	36.948606
"956739"	279.999294	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-H+HCOOH"	44.998194
"367300"	515.000401	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+HCOOH-H"	44.998201
"346439"	529.016051	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+Hac-H"	59.013851
"1506951"	294.014951	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Hac-H"	59.013851
"973036"	301.981251	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-H+NaCOOH"	66.980151
"120483"	269.970502	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+2Cl"	69.938804
"560408"	387.471052	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+2Cl"	69.938804
"1031394"	152.469952	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2Cl"	69.938804
"1245506"	313.919985	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Br"	78.918885
"1309047"	315.975972	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Cl+HCOOH"	80.974872
"1328728"	337.957929	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Cl+NaCOOH"	102.956829
"920881"	347.986686	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M-H+CF3COOH"	112.985586
"1297589"	383.963364	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Cl+CF3COOH"	148.962264
"1379031"	199.988424	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H-2H2O"	-35.012676
"1389966"	217.9984	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H-H2O"	-17.0027
"290745"	471.009476	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+H"	1.007276
"689732"	706.010576	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+H"	1.007276
"1357329"	236.008376	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H"	1.007276
"129124"	236.008376	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+2H"	2.014552
"578164"	353.508926	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+2H"	2.014552
"1052561"	118.507826	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2H"	2.014552
"214135"	157.674676	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+3H"	3.021828
"659870"	236.008376	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+3H"	3.021828
"1178316"	79.340976	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+3H"	3.021828
"438871"	488.036023	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+NH4"	18.033823
"800720"	723.037123	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+NH4"	18.033823
"1694617"	253.034923	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+NH4"	18.033823
"342897"	244.5216495	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+H+NH4"	19.041099
"734223"	362.0221995	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+H+NH4"	19.041099
"1490968"	127.0210995	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H+NH4"	19.041099
"404906"	492.991418	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+Na"	22.989218
"766629"	727.992518	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+Na"	22.989218
"1615820"	257.990318	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Na"	22.989218
"326950"	246.999347	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+H+Na"	23.996494
"720465"	364.499897	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+H+Na"	23.996494
"1474285"	129.498797	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H+Na"	23.996494
"1066075"	86.66829	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2H+Na"	25.00377
"1272006"	268.034586	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+CH3OH+H"	33.033486
"392371"	508.965358	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+K"	38.963158
"753767"	743.966458	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+K"	38.963158
"1554486"	273.964258	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+K"	38.963158
"313243"	254.986317	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+H+K"	39.970434
"705540"	372.486867	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+H+K"	39.970434
"1456805"	137.485767	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H+K"	39.970434
"247595"	512.036026	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+ACN+H"	42.033826
"1225050"	277.034926	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+ACN+H"	42.033826
"1208203"	139.021101	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+ACN+2H"	43.041102
"201800"	514.97336	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+2Na-H"	44.97116
"641727"	749.97446	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+2Na-H"	44.97116
"1143043"	279.97226	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2Na-H"	44.97116
"183053"	257.990318	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+2Na"	45.978436
"617513"	375.490868	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+2Na"	45.978436
"1119562"	140.489768	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2Na"	45.978436
"1406733"	93.995604	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H+2Na"	46.985712
"1445592"	282.013846	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H+HCOOH"	47.012746
"235234"	263.02334	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+3H2O+2H"	56.04448
"1519530"	296.06589	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+IsoProp+H"	61.06479
"423105"	265.977288	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+Na+K"	61.952376
"785587"	383.477838	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+Na+K"	61.952376
"1681164"	148.476738	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Na+K"	61.952376
"265613"	534.017968	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+ACN+Na"	64.015768
"1239416"	299.016868	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+ACN+Na"	64.015768
"1723568"	299.040393	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+NH4+HCOOH"	64.039293
"1188923"	101.322918	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+3Na"	68.967654
"1655535"	303.995788	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Na+HCOOH"	68.994688
"165676"	546.92124	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+2K-H"	76.91904
"601958"	781.92234	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+2K-H"	76.91904
"1088657"	311.92014	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2K-H"	76.91904
"144381"	273.964258	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"2M+2K"	77.926316
"585033"	391.464808	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"3M+2K"	77.926316
"1071732"	156.463708	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2K"	77.926316
"1104939"	313.934692	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2K+H"	78.933592
"1338043"	314.022307	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+DMSO+H"	79.021207
"1012044"	318.061476	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2ACN+H"	83.060376
"1529074"	319.055108	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+IsoProp+Na+H"	84.054008
"996618"	159.534376	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+2ACN+2H"	84.067652
"1596587"	319.969728	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+K+HCOOH"	84.968628
"1426619"	350.001238	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+H+CF3COOH"	115.000138
"1158001"	180.047651	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+3ACN+2H"	125.094202
"1706459"	367.027785	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+NH4+CF3COOH"	132.026685
"1638830"	371.98318	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+Na+CF3COOH"	136.98208
"1582136"	387.95712	"C07395"	"Pamidronate;Pamidronic acid"	"C3H11NO7P2"	"235.0011"	"M+K+CF3COOH"	152.95602
"815786"	383.1667	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M"	0
"987130"	364.14831	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-H2O-H"	-19.01839
"75373"	254.437190666667	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M-3H"	-3.021828
"511653"	382.159424	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M-3H"	-3.021828
"891643"	126.714957333333	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-3H"	-3.021828
"10217"	382.159424	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M-2H"	-2.014552
"445404"	573.742774	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M-2H"	-2.014552
"828312"	190.576074	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-2H"	-2.014552
"87575"	765.326124	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M-H"	-1.007276
"530782"	1148.492824	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M-H"	-1.007276
"907494"	382.159424	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-H"	-1.007276
"60410"	782.352671	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M-2H+NH4"	16.019271
"498148"	1165.519371	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M-2H+NH4"	16.019271
"875588"	399.185971	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-2H+NH4"	16.019271
"41301"	787.308066	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M-2H+Na"	20.974666
"483049"	1170.474766	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M-2H+Na"	20.974666
"860850"	404.141366	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-2H+Na"	20.974666
"1631111"	404.141366	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Na-2H"	20.974666
"105453"	400.147763	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M-H+Cl"	33.962126
"544285"	591.731113	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M-H+Cl"	33.962126
"934518"	208.564413	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-H+Cl"	33.962126
"276355"	801.302802	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+Cl"	34.969402
"669873"	1184.469502	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+Cl"	34.969402
"1281183"	418.136102	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Cl"	34.969402
"28115"	803.282006	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M-2H+K"	36.948606
"469863"	1186.448706	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M-2H+K"	36.948606
"846576"	420.115306	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-2H+K"	36.948606
"1570062"	420.115306	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+K-2H"	36.948606
"953569"	428.164894	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-H+HCOOH"	44.998194
"367410"	811.331601	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+HCOOH-H"	44.998201
"348010"	825.347251	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+Hac-H"	59.013851
"1503414"	442.180551	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Hac-H"	59.013851
"971688"	450.146851	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-H+NaCOOH"	66.980151
"119864"	418.136102	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+2Cl"	69.938804
"560518"	609.719452	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+2Cl"	69.938804
"1030411"	226.552752	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2Cl"	69.938804
"1245616"	462.085585	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Br"	78.918885
"1308064"	464.141572	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Cl+HCOOH"	80.974872
"1326652"	486.123529	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Cl+NaCOOH"	102.956829
"920991"	496.152286	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M-H+CF3COOH"	112.985586
"1299886"	532.128964	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Cl+CF3COOH"	148.962264
"1379142"	348.154024	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H-2H2O"	-35.012676
"1393356"	366.164	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H-H2O"	-17.0027
"289762"	767.340676	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+H"	1.007276
"687654"	1150.507376	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+H"	1.007276
"1357439"	384.173976	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H"	1.007276
"129234"	384.173976	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+2H"	2.014552
"576452"	575.757326	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+2H"	2.014552
"1052627"	192.590626	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2H"	2.014552
"209872"	256.451742666667	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+3H"	3.021828
"659282"	384.173976	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+3H"	3.021828
"1177893"	128.729509333333	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+3H"	3.021828
"437033"	784.367223	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+NH4"	18.033823
"799857"	1167.533923	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+NH4"	18.033823
"1694727"	401.200523	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+NH4"	18.033823
"343007"	392.6872495	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+H+NH4"	19.041099
"736520"	584.2705995	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+H+NH4"	19.041099
"1490710"	201.1038995	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H+NH4"	19.041099
"401370"	789.322618	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+Na"	22.989218
"766375"	1172.489318	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+Na"	22.989218
"1614473"	406.155918	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Na"	22.989218
"327667"	395.164947	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+H+Na"	23.996494
"720332"	586.748297	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+H+Na"	23.996494
"1475125"	203.581597	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H+Na"	23.996494
"1065090"	136.056823333333	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2H+Na"	25.00377
"1271510"	416.200186	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+CH3OH+H"	33.033486
"391184"	805.296558	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+K"	38.963158
"752540"	1188.463258	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+K"	38.963158
"1554595"	422.129858	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+K"	38.963158
"313474"	403.151917	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+H+K"	39.970434
"705650"	594.735267	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+H+K"	39.970434
"1458010"	211.568567	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H+K"	39.970434
"248435"	808.367226	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+ACN+H"	42.033826
"1222241"	425.200526	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+ACN+H"	42.033826
"1207219"	213.103901	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+ACN+2H"	43.041102
"201910"	811.30456	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+2Na-H"	44.97116
"641836"	1194.47126	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+2Na-H"	44.97116
"1137685"	428.13786	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2Na-H"	44.97116
"178788"	406.155918	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+2Na"	45.978436
"617260"	597.739268	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+2Na"	45.978436
"1122953"	214.572568	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2Na"	45.978436
"1409759"	143.384137333333	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H+2Na"	46.985712
"1445558"	430.179446	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H+HCOOH"	47.012746
"232670"	411.18894	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+3H2O+2H"	56.04448
"1516360"	444.23149	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+IsoProp+H"	61.06479
"420420"	414.142888	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+Na+K"	61.952376
"785559"	605.726238	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+Na+K"	61.952376
"1679204"	222.559538	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Na+K"	61.952376
"263537"	830.349168	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+ACN+Na"	64.015768
"1239527"	447.182468	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+ACN+Na"	64.015768
"1723678"	447.205993	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+NH4+HCOOH"	64.039293
"1187939"	150.711451333333	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+3Na"	68.967654
"1657832"	452.161388	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Na+HCOOH"	68.994688
"163601"	843.25244	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+2K-H"	76.91904
"599029"	1226.41914	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+2K-H"	76.91904
"1089861"	460.08574	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2K-H"	76.91904
"142546"	422.129858	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"2M+2K"	77.926316
"581856"	613.713208	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"3M+2K"	77.926316
"1070138"	230.546508	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2K"	77.926316
"1100794"	462.100292	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2K+H"	78.933592
"1337180"	462.187907	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+DMSO+H"	79.021207
"1016162"	466.227076	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2ACN+H"	83.060376
"1532463"	467.220708	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+IsoProp+Na+H"	84.054008
"1000005"	233.617176	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+2ACN+2H"	84.067652
"1598882"	468.135328	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+K+HCOOH"	84.968628
"1426729"	498.166838	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+H+CF3COOH"	115.000138
"1154829"	254.130451	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+3ACN+2H"	125.094202
"1707662"	515.193385	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+NH4+CF3COOH"	132.026685
"1637847"	520.14878	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+Na+CF3COOH"	136.98208
"1585526"	536.12272	"C07397"	"Quetiapine;2-2-(4-Dibenzobf14thiazepin-11-yl-1-piperazinyl)ethoxyethanol"	"C21H25N3O2S"	"383.1667"	"M+K+CF3COOH"	152.95602
"816627"	438.2155	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M"	0
"987240"	419.19711	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-H2O-H"	-19.01839
"76455"	291.136390666667	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M-3H"	-3.021828
"511762"	437.208224	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M-3H"	-3.021828
"892846"	145.064557333333	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-3H"	-3.021828
"10327"	437.208224	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M-2H"	-2.014552
"445514"	656.315974	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M-2H"	-2.014552
"826599"	218.100474	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-2H"	-2.014552
"87685"	875.423724	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M-H"	-1.007276
"530892"	1313.639224	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M-H"	-1.007276
"909671"	437.208224	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-H"	-1.007276
"59425"	892.450271	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M-2H+NH4"	16.019271
"498258"	1330.665771	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M-2H+NH4"	16.019271
"877400"	454.234771	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-2H+NH4"	16.019271
"43597"	897.405666	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M-2H+Na"	20.974666
"485105"	1335.621166	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M-2H+Na"	20.974666
"862053"	459.190166	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-2H+Na"	20.974666
"1631221"	459.190166	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Na-2H"	20.974666
"105927"	455.196563	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M-H+Cl"	33.962126
"546581"	674.304313	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M-H+Cl"	33.962126
"940826"	236.088813	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-H+Cl"	33.962126
"278653"	911.400402	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+Cl"	34.969402
"672169"	1349.615902	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+Cl"	34.969402
"1282386"	473.184902	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Cl"	34.969402
"30296"	913.379606	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M-2H+K"	36.948606
"469735"	1351.595106	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M-2H+K"	36.948606
"845592"	475.164106	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-2H+K"	36.948606
"1567984"	475.164106	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+K-2H"	36.948606
"956234"	483.213694	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-H+HCOOH"	44.998194
"367520"	921.429201	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+HCOOH-H"	44.998201
"349942"	935.444851	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+Hac-H"	59.013851
"1495497"	497.229351	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Hac-H"	59.013851
"972891"	505.195651	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-H+NaCOOH"	66.980151
"121068"	473.184902	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+2Cl"	69.938804
"562451"	692.292652	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+2Cl"	69.938804
"1033802"	254.077152	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2Cl"	69.938804
"1247913"	517.134385	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Br"	78.918885
"1313641"	519.190372	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Cl+HCOOH"	80.974872
"1330042"	541.172329	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Cl+NaCOOH"	102.956829
"925475"	551.201086	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M-H+CF3COOH"	112.985586
"1302183"	587.177764	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Cl+CF3COOH"	148.962264
"1382290"	403.202824	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H-2H2O"	-35.012676
"1397599"	421.2128	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H-H2O"	-17.0027
"294246"	877.438276	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+H"	1.007276
"687763"	1315.653776	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+H"	1.007276
"1357549"	439.222776	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H"	1.007276
"129344"	439.222776	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+2H"	2.014552
"575469"	658.330526	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+2H"	2.014552
"1048643"	220.115026	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2H"	2.014552
"208889"	293.150942666667	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+3H"	3.021828
"656107"	439.222776	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+3H"	3.021828
"1177881"	147.079109333333	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+3H"	3.021828
"428758"	894.464823	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+NH4"	18.033823
"800697"	1332.680323	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+NH4"	18.033823
"1693744"	456.249323	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+NH4"	18.033823
"340930"	447.7360495	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+H+NH4"	19.041099
"736630"	666.8437995	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+H+NH4"	19.041099
"1491792"	228.6282995	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H+NH4"	19.041099
"403666"	899.420218	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+Na"	22.989218
"765759"	1337.635718	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+Na"	22.989218
"1615312"	461.204718	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Na"	22.989218
"327535"	450.213747	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+H+Na"	23.996494
"718133"	669.321497	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+H+Na"	23.996494
"1471226"	231.105997	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H+Na"	23.996494
"1064471"	154.406423333333	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2H+Na"	25.00377
"1272346"	471.248986	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+CH3OH+H"	33.033486
"391292"	915.394158	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+K"	38.963158
"753379"	1353.609658	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+K"	38.963158
"1553736"	477.178658	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+K"	38.963158
"313340"	458.200717	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+H+K"	39.970434
"704666"	677.308467	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+H+K"	39.970434
"1459579"	239.092967	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H+K"	39.970434
"248544"	918.464826	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+ACN+H"	42.033826
"1223808"	480.249326	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+ACN+H"	42.033826
"1208301"	240.628301	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+ACN+2H"	43.041102
"202384"	921.40216	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+2Na-H"	44.97116
"642674"	1359.61766	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+2Na-H"	44.97116
"1138888"	483.18666	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2Na-H"	44.97116
"177805"	461.204718	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+2Na"	45.978436
"624660"	680.312468	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+2Na"	45.978436
"1125250"	242.096968	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2Na"	45.978436
"1412055"	161.733737333333	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H+2Na"	46.985712
"1443451"	485.228246	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H+HCOOH"	47.012746
"232783"	466.23774	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+3H2O+2H"	56.04448
"1520847"	499.28029	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+IsoProp+H"	61.06479
"418346"	469.191688	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+Na+K"	61.952376
"784081"	688.299438	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+Na+K"	61.952376
"1680412"	250.083938	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Na+K"	61.952376
"266199"	940.446768	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+ACN+Na"	64.015768
"1237818"	502.231268	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+ACN+Na"	64.015768
"1725610"	502.254793	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+NH4+HCOOH"	64.039293
"1188417"	169.061051333333	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+3Na"	68.967654
"1657944"	507.210188	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Na+HCOOH"	68.994688
"167722"	953.35004	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+2K-H"	76.91904
"599991"	1391.56554	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+2K-H"	76.91904
"1092159"	515.13454	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2K-H"	76.91904
"145692"	477.178658	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"2M+2K"	77.926316
"585251"	696.286408	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"3M+2K"	77.926316
"1072681"	258.070908	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2K"	77.926316
"1106252"	517.149092	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2K+H"	78.933592
"1343730"	517.236707	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+DMSO+H"	79.021207
"1015545"	521.275876	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2ACN+H"	83.060376
"1533305"	522.269508	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+IsoProp+Na+H"	84.054008
"1001210"	261.141576	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+2ACN+2H"	84.067652
"1600817"	523.184128	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+K+HCOOH"	84.968628
"1426839"	553.215638	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+H+CF3COOH"	115.000138
"1153845"	281.654851	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+3ACN+2H"	125.094202
"1708865"	570.242185	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+NH4+CF3COOH"	132.026685
"1639050"	575.19758	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+Na+CF3COOH"	136.98208
"1585636"	591.17152	"C07398"	"Quinapril"	"C25H30N2O5"	"438.2155"	"M+K+CF3COOH"	152.95602
"816900"	137.0715	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M"	0
"986256"	118.05311	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-H2O-H"	-19.01839
"75593"	90.373724	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M-3H"	-3.021828
"508592"	136.064224	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M-3H"	-3.021828
"895143"	44.683224	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-3H"	-3.021828
"10438"	136.064224	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M-2H"	-2.014552
"451821"	204.599974	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M-2H"	-2.014552
"830719"	67.528474	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-2H"	-2.014552
"88889"	273.135724	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M-H"	-1.007276
"531001"	410.207224	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M-H"	-1.007276
"909169"	136.064224	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-H"	-1.007276
"60262"	290.162271	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M-2H+NH4"	16.019271
"501166"	427.233771	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M-2H+NH4"	16.019271
"876901"	153.090771	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-2H+NH4"	16.019271
"46141"	295.117666	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M-2H+Na"	20.974666
"485215"	432.189166	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M-2H+Na"	20.974666
"862163"	158.046166	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-2H+Na"	20.974666
"1631331"	158.046166	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Na-2H"	20.974666
"107130"	154.052563	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M-H+Cl"	33.962126
"549656"	222.588313	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M-H+Cl"	33.962126
"940206"	85.516813	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-H+Cl"	33.962126
"278763"	309.112402	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+Cl"	34.969402
"673372"	446.183902	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+Cl"	34.969402
"1283589"	172.040902	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Cl"	34.969402
"30039"	311.091606	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M-2H+K"	36.948606
"470693"	448.163106	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M-2H+K"	36.948606
"846432"	174.020106	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-2H+K"	36.948606
"1568824"	174.020106	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+K-2H"	36.948606
"955978"	182.069694	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-H+HCOOH"	44.998194
"370910"	319.141201	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+HCOOH-H"	44.998201
"350417"	333.156851	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+Hac-H"	59.013851
"1495243"	196.085351	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Hac-H"	59.013851
"969712"	204.051651	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-H+NaCOOH"	66.980151
"124458"	172.040902	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+2Cl"	69.938804
"561827"	240.576652	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+2Cl"	69.938804
"1035006"	103.505152	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2Cl"	69.938804
"1249117"	215.990385	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Br"	78.918885
"1317031"	218.046372	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Cl+HCOOH"	80.974872
"1333432"	240.028329	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Cl+NaCOOH"	102.956829
"925831"	250.057086	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M-H+CF3COOH"	112.985586
"1303266"	286.033764	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Cl+CF3COOH"	148.962264
"1382407"	102.058824	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H-2H2O"	-35.012676
"1397952"	120.0688	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H-H2O"	-17.0027
"296543"	275.150276	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+H"	1.007276
"686780"	412.221776	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+H"	1.007276
"1360939"	138.078776	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H"	1.007276
"133827"	138.078776	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+2H"	2.014552
"576671"	206.614526	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+2H"	2.014552
"1041094"	69.543026	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2H"	2.014552
"212275"	92.388276	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+3H"	3.021828
"656217"	138.078776	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+3H"	3.021828
"1174342"	46.697776	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+3H"	3.021828
"435065"	292.176823	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+NH4"	18.033823
"798255"	429.248323	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+NH4"	18.033823
"1694220"	155.105323	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+NH4"	18.033823
"342137"	146.5920495	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+H+NH4"	19.041099
"736382"	215.1277995	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+H+NH4"	19.041099
"1488379"	78.0562995	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H+NH4"	19.041099
"402683"	297.132218	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+Na"	22.989218
"761494"	434.203718	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+Na"	22.989218
"1614692"	160.060718	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Na"	22.989218
"327280"	149.069747	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+H+Na"	23.996494
"717515"	217.605497	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+H+Na"	23.996494
"1468055"	80.533997	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H+Na"	23.996494
"1061298"	54.02509	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2H+Na"	25.00377
"1267352"	170.104986	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+CH3OH+H"	33.033486
"384832"	313.106158	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+K"	38.963158
"749837"	450.177658	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+K"	38.963158
"1543504"	176.034658	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+K"	38.963158
"313085"	157.056717	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+H+K"	39.970434
"705144"	225.592467	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+H+K"	39.970434
"1459691"	88.520967	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H+K"	39.970434
"249383"	316.176826	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+ACN+H"	42.033826
"1222824"	179.105326	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+ACN+H"	42.033826
"1205248"	90.056301	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+ACN+2H"	43.041102
"203221"	319.11416	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+2Na-H"	44.97116
"642053"	456.18566	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+2Na-H"	44.97116
"1136812"	182.04266	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2Na-H"	44.97116
"179008"	160.060718	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+2Na"	45.978436
"627688"	228.596468	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+2Na"	45.978436
"1127547"	91.524968	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2Na"	45.978436
"1412165"	61.352404	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H+2Na"	46.985712
"1439911"	184.084246	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H+HCOOH"	47.012746
"233250"	165.09374	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+3H2O+2H"	56.04448
"1523146"	198.13629	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+IsoProp+H"	61.06479
"419186"	168.047688	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+Na+K"	61.952376
"784191"	236.583438	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+Na+K"	61.952376
"1677969"	99.511938	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Na+K"	61.952376
"264488"	338.158768	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+ACN+Na"	64.015768
"1237200"	201.087268	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+ACN+Na"	64.015768
"1726450"	201.110793	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+NH4+HCOOH"	64.039293
"1189620"	68.679718	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+3Na"	68.967654
"1658053"	206.066188	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Na+HCOOH"	68.994688
"168560"	351.06204	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+2K-H"	76.91904
"599007"	488.13354	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+2K-H"	76.91904
"1088988"	213.99054	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2K-H"	76.91904
"145802"	176.034658	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"2M+2K"	77.926316
"584269"	244.570408	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"3M+2K"	77.926316
"1070968"	107.498908	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2K"	77.926316
"1106363"	216.005092	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2K+H"	78.933592
"1341655"	216.092707	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+DMSO+H"	79.021207
"1016749"	220.131876	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2ACN+H"	83.060376
"1532687"	221.125508	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+IsoProp+Na+H"	84.054008
"1001323"	110.569576	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+2ACN+2H"	84.067652
"1598012"	222.040128	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+K+HCOOH"	84.968628
"1428772"	252.071638	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+H+CF3COOH"	115.000138
"1161977"	131.082851	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+3ACN+2H"	125.094202
"1710069"	269.098185	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+NH4+CF3COOH"	132.026685
"1641347"	274.05358	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+Na+CF3COOH"	136.98208
"1582466"	290.02752	"C07400"	"Pralidoxime"	"C7H9N2O"	"137.0715"	"M+K+CF3COOH"	152.95602
"816836"	235.1685	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M"	0
"989691"	216.15011	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-H2O-H"	-19.01839
"77770"	155.771724	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M-3H"	-3.021828
"515263"	234.161224	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M-3H"	-3.021828
"887597"	77.382224	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-3H"	-3.021828
"5080"	234.161224	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M-2H"	-2.014552
"451202"	351.745474	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M-2H"	-2.014552
"831559"	116.576974	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-2H"	-2.014552
"91550"	469.329724	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M-H"	-1.007276
"532204"	704.498224	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M-H"	-1.007276
"910008"	234.161224	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-H"	-1.007276
"61465"	486.356271	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M-2H+NH4"	16.019271
"500665"	721.524771	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M-2H+NH4"	16.019271
"877740"	251.187771	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-2H+NH4"	16.019271
"46778"	491.311666	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M-2H+Na"	20.974666
"486744"	726.480166	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M-2H+Na"	20.974666
"863245"	256.143166	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-2H+Na"	20.974666
"1633839"	256.143166	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Na-2H"	20.974666
"107240"	252.149563	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M-H+Cl"	33.962126
"549683"	369.733813	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M-H+Cl"	33.962126
"942018"	134.565313	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-H+Cl"	33.962126
"278873"	505.306402	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+Cl"	34.969402
"670202"	740.474902	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+Cl"	34.969402
"1282606"	270.137902	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Cl"	34.969402
"31049"	507.285606	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M-2H+K"	36.948606
"470811"	742.454106	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M-2H+K"	36.948606
"847635"	272.117106	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-2H+K"	36.948606
"1570392"	272.117106	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+K-2H"	36.948606
"958443"	280.166694	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-H+HCOOH"	44.998194
"375396"	515.335201	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+HCOOH-H"	44.998201
"351621"	529.350851	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+Hac-H"	59.013851
"1497175"	294.182351	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Hac-H"	59.013851
"968729"	302.148651	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-H+NaCOOH"	66.980151
"124567"	270.137902	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+2Cl"	69.938804
"560844"	387.722152	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+2Cl"	69.938804
"1035115"	152.553652	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2Cl"	69.938804
"1250320"	314.087385	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Br"	78.918885
"1314955"	316.143372	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Cl+HCOOH"	80.974872
"1334153"	338.125329	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Cl+NaCOOH"	102.956829
"926839"	348.154086	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M-H+CF3COOH"	112.985586
"1303256"	384.130764	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Cl+CF3COOH"	148.962264
"1382151"	200.155824	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H-2H2O"	-35.012676
"1395874"	218.1658	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H-H2O"	-17.0027
"295562"	471.344276	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+H"	1.007276
"679233"	706.512776	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+H"	1.007276
"1357768"	236.175776	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H"	1.007276
"126647"	236.175776	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+2H"	2.014552
"577875"	353.760026	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+2H"	2.014552
"1042297"	118.591526	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2H"	2.014552
"212385"	157.786276	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+3H"	3.021828
"658884"	236.175776	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+3H"	3.021828
"1172265"	79.396776	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+3H"	3.021828
"431164"	488.370823	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+NH4"	18.033823
"800187"	723.539323	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+NH4"	18.033823
"1694695"	253.202323	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+NH4"	18.033823
"343340"	244.6890495	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+H+NH4"	19.041099
"737949"	362.2732995	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+H+NH4"	19.041099
"1490676"	127.1047995	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H+NH4"	19.041099
"400607"	493.326218	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+Na"	22.989218
"761601"	728.494718	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+Na"	22.989218
"1611886"	258.157718	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Na"	22.989218
"326297"	247.166747	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+H+Na"	23.996494
"715438"	364.750997	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+H+Na"	23.996494
"1469257"	129.582497	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H+Na"	23.996494
"1059222"	86.72409	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2H+Na"	25.00377
"1268555"	268.201986	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+CH3OH+H"	33.033486
"384942"	509.300158	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+K"	38.963158
"750311"	744.468658	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+K"	38.963158
"1542521"	274.131658	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+K"	38.963158
"312465"	255.153717	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+H+K"	39.970434
"706671"	372.737967	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+H+K"	39.970434
"1460896"	137.569467	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H+K"	39.970434
"250222"	512.370826	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+ACN+H"	42.033826
"1223662"	277.202326	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+ACN+H"	42.033826
"1207544"	139.104801	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+ACN+2H"	43.041102
"202237"	515.30816	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+2Na-H"	44.97116
"642892"	750.47666	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+2Na-H"	44.97116
"1139109"	280.13966	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2Na-H"	44.97116
"179479"	258.157718	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+2Na"	45.978436
"628248"	375.741968	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+2Na"	45.978436
"1130859"	140.573468	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2Na"	45.978436
"1413293"	94.051404	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H+2Na"	46.985712
"1442936"	282.181246	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H+HCOOH"	47.012746
"234817"	263.19074	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+3H2O+2H"	56.04448
"1521797"	296.23329	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+IsoProp+H"	61.06479
"417473"	266.144688	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+Na+K"	61.952376
"780656"	383.728938	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+Na+K"	61.952376
"1676621"	148.560438	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Na+K"	61.952376
"262410"	534.352768	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+ACN+Na"	64.015768
"1237309"	299.184268	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+ACN+Na"	64.015768
"1724739"	299.207793	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+NH4+HCOOH"	64.039293
"1187541"	101.378718	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+3Na"	68.967654
"1662904"	304.163188	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Na+HCOOH"	68.994688
"170129"	547.25604	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+2K-H"	76.91904
"600574"	782.42454	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+2K-H"	76.91904
"1089098"	312.08754	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2K-H"	76.91904
"143726"	274.131658	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"2M+2K"	77.926316
"585472"	391.715908	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"3M+2K"	77.926316
"1074359"	156.547408	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2K"	77.926316
"1106474"	314.102092	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2K+H"	78.933592
"1343953"	314.189707	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+DMSO+H"	79.021207
"1016495"	318.228876	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2ACN+H"	83.060376
"1532798"	319.222508	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+IsoProp+Na+H"	84.054008
"1001432"	159.618076	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+2ACN+2H"	84.067652
"1598121"	320.137128	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+K+HCOOH"	84.968628
"1427792"	350.168638	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+H+CF3COOH"	115.000138
"1160627"	180.131351	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+3ACN+2H"	125.094202
"1710177"	367.195185	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+NH4+CF3COOH"	132.026685
"1638175"	372.15058	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+Na+CF3COOH"	136.98208
"1582576"	388.12452	"C07401"	"Procainamide"	"C13H21N3O"	"235.1685"	"M+K+CF3COOH"	152.95602
"816106"	221.1528	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M"	0
"987571"	202.13441	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-H2O-H"	-19.01839
"74721"	146.427924	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M-3H"	-3.021828
"512094"	220.145524	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M-3H"	-3.021828
"887708"	72.710324	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-3H"	-3.021828
"5190"	220.145524	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M-2H"	-2.014552
"448032"	330.721924	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M-2H"	-2.014552
"831914"	109.569124	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-2H"	-2.014552
"94097"	441.298324	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M-H"	-1.007276
"534197"	662.451124	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M-H"	-1.007276
"910483"	220.145524	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-H"	-1.007276
"59752"	458.324871	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M-2H+NH4"	16.019271
"499925"	679.477671	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M-2H+NH4"	16.019271
"874934"	237.172071	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-2H+NH4"	16.019271
"47052"	463.280266	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M-2H+Na"	20.974666
"486284"	684.433066	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M-2H+Na"	20.974666
"864085"	242.127466	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-2H+Na"	20.974666
"1633742"	242.127466	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Na-2H"	20.974666
"108443"	238.133863	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M-H+Cl"	33.962126
"543631"	348.710263	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M-H+Cl"	33.962126
"940426"	127.557463	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-H+Cl"	33.962126
"278983"	477.275002	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+Cl"	34.969402
"672498"	698.427802	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+Cl"	34.969402
"1283809"	256.122202	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Cl"	34.969402
"31281"	479.254206	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M-2H+K"	36.948606
"471202"	700.407006	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M-2H+K"	36.948606
"845923"	258.101406	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-2H+K"	36.948606
"1569774"	258.101406	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+K-2H"	36.948606
"958145"	266.150994	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-H+HCOOH"	44.998194
"376924"	487.303801	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+HCOOH-H"	44.998201
"355012"	501.319451	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+Hac-H"	59.013851
"1497285"	280.166651	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Hac-H"	59.013851
"971026"	288.132951	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-H+NaCOOH"	66.980151
"125368"	256.122202	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+2Cl"	69.938804
"565665"	366.698602	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+2Cl"	69.938804
"1036765"	145.545802	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2Cl"	69.938804
"1249337"	300.071685	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Br"	78.918885
"1319077"	302.127672	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Cl+HCOOH"	80.974872
"1335115"	324.109629	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Cl+NaCOOH"	102.956829
"926544"	334.138386	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M-H+CF3COOH"	112.985586
"1303857"	370.115064	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Cl+CF3COOH"	148.962264
"1382264"	186.140124	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H-2H2O"	-35.012676
"1398051"	204.1501	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H-H2O"	-17.0027
"297737"	443.312876	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+H"	1.007276
"688092"	664.465676	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+H"	1.007276
"1361159"	222.160076	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H"	1.007276
"126757"	222.160076	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+2H"	2.014552
"579078"	332.736476	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+2H"	2.014552
"1042407"	111.583676	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2H"	2.014552
"212495"	148.442476	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+3H"	3.021828
"657537"	222.160076	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+3H"	3.021828
"1171282"	74.724876	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+3H"	3.021828
"435650"	460.339423	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+NH4"	18.033823
"795561"	681.492223	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+NH4"	18.033823
"1692983"	239.186623	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+NH4"	18.033823
"343450"	230.6733495	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+H+NH4"	19.041099
"735870"	341.2497495	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+H+NH4"	19.041099
"1488965"	120.0969495	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H+NH4"	19.041099
"399624"	465.294818	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+Na"	22.989218
"758433"	686.447618	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+Na"	22.989218
"1610904"	244.142018	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Na"	22.989218
"323129"	233.151047	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+H+Na"	23.996494
"715548"	343.727447	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+H+Na"	23.996494
"1471554"	122.574647	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H+Na"	23.996494
"1062611"	82.05219	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2H+Na"	25.00377
"1269758"	254.186286	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+CH3OH+H"	33.033486
"388332"	481.268758	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+K"	38.963158
"747141"	702.421558	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+K"	38.963158
"1542631"	260.115958	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+K"	38.963158
"310745"	241.138017	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+H+K"	39.970434
"706696"	351.714417	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+H+K"	39.970434
"1460638"	130.561617	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H+K"	39.970434
"250455"	484.339426	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+ACN+H"	42.033826
"1224136"	263.186626	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+ACN+H"	42.033826
"1208991"	132.096951	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+ACN+2H"	43.041102
"201982"	487.27676	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+2Na-H"	44.97116
"641544"	708.42956	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+2Na-H"	44.97116
"1138125"	266.12396	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2Na-H"	44.97116
"178496"	244.142018	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+2Na"	45.978436
"627058"	354.718418	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+2Na"	45.978436
"1128860"	133.565618	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2Na"	45.978436
"1413115"	89.379504	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H+2Na"	46.985712
"1443411"	268.165546	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H+HCOOH"	47.012746
"234806"	249.17504	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+3H2O+2H"	56.04448
"1520083"	282.21759	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+IsoProp+H"	61.06479
"420862"	252.128988	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+Na+K"	61.952376
"782588"	362.705388	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+Na+K"	61.952376
"1679281"	141.552588	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Na+K"	61.952376
"263248"	506.321368	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+ACN+Na"	64.015768
"1239239"	285.168568	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+ACN+Na"	64.015768
"1726669"	285.192093	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+NH4+HCOOH"	64.039293
"1191664"	96.706818	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+3Na"	68.967654
"1661556"	290.147488	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Na+HCOOH"	68.994688
"170968"	519.22464	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+2K-H"	76.91904
"599591"	740.37744	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+2K-H"	76.91904
"1089210"	298.07184	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2K-H"	76.91904
"144200"	260.115958	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"2M+2K"	77.926316
"584852"	370.692358	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"3M+2K"	77.926316
"1071189"	149.539558	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2K"	77.926316
"1105492"	300.086392	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2K+H"	78.933592
"1346249"	300.174007	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+DMSO+H"	79.021207
"1017698"	304.213176	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2ACN+H"	83.060376
"1535093"	305.206808	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+IsoProp+Na+H"	84.054008
"1002636"	152.610226	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+2ACN+2H"	84.067652
"1600417"	306.121428	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+K+HCOOH"	84.968628
"1428631"	336.152938	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+H+CF3COOH"	115.000138
"1160737"	173.123501	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+3ACN+2H"	125.094202
"1710289"	353.179485	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+NH4+CF3COOH"	132.026685
"1640472"	358.13488	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+Na+CF3COOH"	136.98208
"1582686"	374.10882	"C07402"	"Procarbazine"	"C12H19N3O"	"221.1528"	"M+K+CF3COOH"	152.95602
"816459"	373.1379	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M"	0
"988410"	354.11951	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-H2O-H"	-19.01839
"77017"	247.751324	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M-3H"	-3.021828
"513298"	372.130624	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M-3H"	-3.021828
"891098"	123.372024	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-3H"	-3.021828
"2020"	372.130624	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M-2H"	-2.014552
"449235"	558.699574	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M-2H"	-2.014552
"830929"	185.561674	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-2H"	-2.014552
"93476"	745.268524	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M-H"	-1.007276
"533889"	1118.406424	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M-H"	-1.007276
"909134"	372.130624	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-H"	-1.007276
"60958"	762.295071	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M-2H+NH4"	16.019271
"500035"	1135.432971	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M-2H+NH4"	16.019271
"878691"	389.157171	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-2H+NH4"	16.019271
"42947"	767.250466	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M-2H+Na"	20.974666
"485788"	1140.388366	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M-2H+Na"	20.974666
"862738"	394.112566	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-2H+Na"	20.974666
"1632878"	394.112566	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Na-2H"	20.974666
"107462"	390.118963	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M-H+Cl"	33.962126
"545927"	576.687913	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M-H+Cl"	33.962126
"939442"	203.550013	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-H+Cl"	33.962126
"279944"	781.245202	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+Cl"	34.969402
"673217"	1154.383102	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+Cl"	34.969402
"1286105"	408.107302	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Cl"	34.969402
"31102"	783.224406	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M-2H+K"	36.948606
"470863"	1156.362306	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M-2H+K"	36.948606
"846762"	410.086506	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-2H+K"	36.948606
"1570250"	410.086506	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+K-2H"	36.948606
"958283"	418.136094	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-H+HCOOH"	44.998194
"375980"	791.274001	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+HCOOH-H"	44.998201
"356218"	805.289651	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+Hac-H"	59.013851
"1499583"	432.151751	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Hac-H"	59.013851
"972229"	440.118051	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-H+NaCOOH"	66.980151
"125394"	408.107302	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+2Cl"	69.938804
"564840"	594.676252	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+2Cl"	69.938804
"1036995"	221.538352	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2Cl"	69.938804
"1250540"	452.056785	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Br"	78.918885
"1319551"	454.112772	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Cl+HCOOH"	80.974872
"1334862"	476.094729	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Cl+NaCOOH"	102.956829
"925554"	486.123486	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M-H+CF3COOH"	112.985586
"1302622"	522.100164	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Cl+CF3COOH"	148.962264
"1381513"	338.125224	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H-2H2O"	-35.012676
"1396460"	356.1352	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H-H2O"	-17.0027
"296874"	747.283076	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+H"	1.007276
"689296"	1120.420976	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+H"	1.007276
"1361269"	374.145176	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H"	1.007276
"126988"	374.145176	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+2H"	2.014552
"580281"	560.714126	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+2H"	2.014552
"1043610"	187.576226	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2H"	2.014552
"211512"	249.765876	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+3H"	3.021828
"658373"	374.145176	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+3H"	3.021828
"1172485"	125.386576	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+3H"	3.021828
"434302"	764.309623	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+NH4"	18.033823
"796036"	1137.447523	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+NH4"	18.033823
"1694551"	391.171723	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+NH4"	18.033823
"340278"	382.6584495	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+H+NH4"	19.041099
"734887"	569.2273995	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+H+NH4"	19.041099
"1488710"	196.0894995	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H+NH4"	19.041099
"398641"	769.265018	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+Na"	22.989218
"761824"	1142.402918	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+Na"	22.989218
"1611014"	396.127118	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Na"	22.989218
"323240"	385.136147	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+H+Na"	23.996494
"716752"	571.705097	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+H+Na"	23.996494
"1471665"	198.567197	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H+Na"	23.996494
"1062721"	132.71389	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2H+Na"	25.00377
"1269868"	406.171386	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+CH3OH+H"	33.033486
"388442"	785.238958	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+K"	38.963158
"747251"	1158.376858	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+K"	38.963158
"1544927"	412.101058	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+K"	38.963158
"310855"	393.123117	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+H+K"	39.970434
"706200"	579.692067	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+H+K"	39.970434
"1460750"	206.554167	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H+K"	39.970434
"250688"	788.309626	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+ACN+H"	42.033826
"1223883"	415.171726	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+ACN+H"	42.033826
"1206671"	208.089501	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+ACN+2H"	43.041102
"201729"	791.24696	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+2Na-H"	44.97116
"640561"	1164.38486	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+2Na-H"	44.97116
"1136776"	418.10906	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2Na-H"	44.97116
"182248"	396.127118	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+2Na"	45.978436
"626195"	582.696068	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+2Na"	45.978436
"1130923"	209.558168	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2Na"	45.978436
"1411415"	140.041204	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H+2Na"	46.985712
"1443158"	420.150646	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H+HCOOH"	47.012746
"234309"	401.16014	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+3H2O+2H"	56.04448
"1521650"	434.20269	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+IsoProp+H"	61.06479
"422066"	404.114088	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+Na+K"	61.952376
"783669"	590.683038	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+Na+K"	61.952376
"1679029"	217.545138	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Na+K"	61.952376
"264821"	810.291568	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+ACN+Na"	64.015768
"1237163"	437.153668	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+ACN+Na"	64.015768
"1724955"	437.177193	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+NH4+HCOOH"	64.039293
"1190679"	147.368518	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+3Na"	68.967654
"1661665"	442.132588	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Na+HCOOH"	68.994688
"167433"	823.19484	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+2K-H"	76.91904
"599336"	1196.33274	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+2K-H"	76.91904
"1088226"	450.05694	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2K-H"	76.91904
"144310"	412.101058	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"2M+2K"	77.926316
"583869"	598.670008	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"3M+2K"	77.926316
"1071299"	225.532108	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2K"	77.926316
"1102322"	452.071492	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2K+H"	78.933592
"1344173"	452.159107	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+DMSO+H"	79.021207
"1017078"	456.198276	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2ACN+H"	83.060376
"1533016"	457.191908	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+IsoProp+Na+H"	84.054008
"997278"	228.602776	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+2ACN+2H"	84.067652
"1599436"	458.106528	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+K+HCOOH"	84.968628
"1428373"	488.138038	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+H+CF3COOH"	115.000138
"1159755"	249.116051	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+3ACN+2H"	125.094202
"1711492"	505.164585	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+NH4+CF3COOH"	132.026685
"1641677"	510.11998	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+Na+CF3COOH"	136.98208
"1582796"	526.09392	"C07403"	"Prochlorperazine"	"C20H24ClN3S"	"373.1379"	"M+K+CF3COOH"	152.95602
"816881"	284.1347	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M"	0
"986696"	265.11631	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-H2O-H"	-19.01839
"77127"	188.415857333333	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M-3H"	-3.021828
"513408"	283.127424	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M-3H"	-3.021828
"887928"	93.7042906666667	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-3H"	-3.021828
"2130"	283.127424	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M-2H"	-2.014552
"449345"	425.194774	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M-2H"	-2.014552
"831889"	141.060074	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-2H"	-2.014552
"93711"	567.262124	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M-H"	-1.007276
"533631"	851.396824	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M-H"	-1.007276
"907783"	283.127424	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-H"	-1.007276
"56692"	584.288671	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M-2H+NH4"	16.019271
"497347"	868.423371	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M-2H+NH4"	16.019271
"871871"	300.153971	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-2H+NH4"	16.019271
"39770"	589.244066	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M-2H+Na"	20.974666
"485292"	873.378766	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M-2H+Na"	20.974666
"863091"	305.109366	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-2H+Na"	20.974666
"1631043"	305.109366	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Na-2H"	20.974666
"108421"	301.115763	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M-H+Cl"	33.962126
"547131"	443.183113	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M-H+Cl"	33.962126
"938459"	159.048413	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-H+Cl"	33.962126
"280296"	603.238802	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+Cl"	34.969402
"673449"	887.373502	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+Cl"	34.969402
"1284029"	319.104102	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Cl"	34.969402
"30724"	605.218006	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M-2H+K"	36.948606
"468335"	889.352706	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M-2H+K"	36.948606
"846507"	321.083306	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-2H+K"	36.948606
"1569266"	321.083306	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+K-2H"	36.948606
"956418"	329.132894	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-H+HCOOH"	44.998194
"375361"	613.267601	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+HCOOH-H"	44.998201
"357056"	627.283251	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+Hac-H"	59.013851
"1501880"	343.148551	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Hac-H"	59.013851
"972704"	351.114851	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-H+NaCOOH"	66.980151
"125469"	319.104102	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+2Cl"	69.938804
"565234"	461.171452	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+2Cl"	69.938804
"1036423"	177.036752	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2Cl"	69.938804
"1256721"	363.053585	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Br"	78.918885
"1318927"	365.109572	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Cl+HCOOH"	80.974872
"1335339"	387.091529	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Cl+NaCOOH"	102.956829
"925907"	397.120286	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M-H+CF3COOH"	112.985586
"1302732"	433.096964	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Cl+CF3COOH"	148.962264
"1380894"	249.122024	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H-2H2O"	-35.012676
"1397298"	267.132	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H-H2O"	-17.0027
"296984"	569.276676	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+H"	1.007276
"689407"	853.411376	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+H"	1.007276
"1361379"	285.141976	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H"	1.007276
"126977"	285.141976	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+2H"	2.014552
"580270"	427.209326	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+2H"	2.014552
"1044814"	143.074626	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2H"	2.014552
"212715"	190.430409333333	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+3H"	3.021828
"658725"	285.141976	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+3H"	3.021828
"1172959"	95.7188426666667	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+3H"	3.021828
"434774"	586.303223	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+NH4"	18.033823
"797239"	870.437923	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+NH4"	18.033823
"1694296"	302.168523	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+NH4"	18.033823
"341481"	293.6552495	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+H+NH4"	19.041099
"736090"	435.7225995	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+H+NH4"	19.041099
"1488457"	151.5878995	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H+NH4"	19.041099
"400939"	591.258618	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+Na"	22.989218
"761934"	875.393318	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+Na"	22.989218
"1612218"	307.123918	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Na"	22.989218
"324442"	296.132947	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+H+Na"	23.996494
"716862"	438.200297	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+H+Na"	23.996494
"1472867"	154.065597	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H+Na"	23.996494
"1063925"	103.046156666667	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2H+Na"	25.00377
"1271072"	317.168186	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+CH3OH+H"	33.033486
"388552"	607.232558	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+K"	38.963158
"747361"	891.367258	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+K"	38.963158
"1546131"	323.097858	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+K"	38.963158
"307686"	304.119917	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+H+K"	39.970434
"706309"	446.187267	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+H+K"	39.970434
"1460129"	162.052567	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H+K"	39.970434
"250188"	610.303226	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+ACN+H"	42.033826
"1223992"	326.168526	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+ACN+H"	42.033826
"1206416"	163.587901	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+ACN+2H"	43.041102
"201839"	613.24056	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+2Na-H"	44.97116
"641400"	897.37526	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+2Na-H"	44.97116
"1135793"	329.10586	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2Na-H"	44.97116
"184544"	307.123918	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+2Na"	45.978436
"623389"	449.191268	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+2Na"	45.978436
"1128353"	165.056568	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2Na"	45.978436
"1413338"	110.373470666667	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H+2Na"	46.985712
"1444851"	331.147446	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H+HCOOH"	47.012746
"235152"	312.15694	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+3H2O+2H"	56.04448
"1522490"	345.19949	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+IsoProp+H"	61.06479
"422416"	315.110888	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+Na+K"	61.952376
"783530"	457.178238	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+Na+K"	61.952376
"1678776"	173.043538	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Na+K"	61.952376
"264199"	632.285168	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+ACN+Na"	64.015768
"1239091"	348.150468	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+ACN+Na"	64.015768
"1725917"	348.173993	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+NH4+HCOOH"	64.039293
"1189696"	117.700784666667	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+3Na"	68.967654
"1658495"	353.129388	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Na+HCOOH"	68.994688
"168636"	645.18844	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+2K-H"	76.91904
"598353"	929.32314	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+2K-H"	76.91904
"1085782"	361.05374	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2K-H"	76.91904
"142719"	323.097858	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"2M+2K"	77.926316
"583008"	465.165208	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"3M+2K"	77.926316
"1071408"	181.030508	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2K"	77.926316
"1105712"	363.068292	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2K+H"	78.933592
"1341006"	363.155907	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+DMSO+H"	79.021207
"1017190"	367.195076	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2ACN+H"	83.060376
"1532032"	368.188708	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+IsoProp+Na+H"	84.054008
"997387"	184.101176	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+2ACN+2H"	84.067652
"1596266"	369.103328	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+K+HCOOH"	84.968628
"1427392"	399.134838	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+H+CF3COOH"	115.000138
"1159865"	204.614451	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+3ACN+2H"	125.094202
"1711602"	416.161385	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+NH4+CF3COOH"	132.026685
"1642880"	421.11678	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+Na+CF3COOH"	136.98208
"1579626"	437.09072	"C07404"	"Promethazine;10-(2-Dimethylaminopropyl)phenothiazine"	"C17H20N2S"	"284.1347"	"M+K+CF3COOH"	152.95602
"816560"	340.1609	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M"	0
"976968"	321.14251	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-H2O-H"	-19.01839
"72863"	225.766657333333	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M-3H"	-3.021828
"510237"	339.153624	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M-3H"	-3.021828
"894723"	112.379690666667	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-3H"	-3.021828
"8802"	339.153624	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M-2H"	-2.014552
"449456"	509.234074	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M-2H"	-2.014552
"831878"	169.073174	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-2H"	-2.014552
"93862"	679.314524	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M-H"	-1.007276
"532037"	1019.475424	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M-H"	-1.007276
"907529"	339.153624	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-H"	-1.007276
"60812"	696.341071	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M-2H+NH4"	16.019271
"499643"	1036.501971	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M-2H+NH4"	16.019271
"878297"	356.180171	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-2H+NH4"	16.019271
"43160"	701.296466	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M-2H+Na"	20.974666
"483814"	1041.457366	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M-2H+Na"	20.974666
"861622"	361.135566	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-2H+Na"	20.974666
"1631154"	361.135566	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Na-2H"	20.974666
"107680"	357.141963	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M-H+Cl"	33.962126
"547241"	527.222413	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M-H+Cl"	33.962126
"938569"	187.061513	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-H+Cl"	33.962126
"280406"	715.291202	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+Cl"	34.969402
"673559"	1055.452102	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+Cl"	34.969402
"1284139"	375.130302	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Cl"	34.969402
"26698"	717.270406	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M-2H+K"	36.948606
"468444"	1057.431306	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M-2H+K"	36.948606
"841870"	377.109506	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-2H+K"	36.948606
"1558064"	377.109506	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+K-2H"	36.948606
"955800"	385.159094	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-H+HCOOH"	44.998194
"374016"	725.320001	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+HCOOH-H"	44.998201
"355344"	739.335651	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+Hac-H"	59.013851
"1504177"	399.174751	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Hac-H"	59.013851
"970628"	407.141051	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-H+NaCOOH"	66.980151
"125452"	375.130302	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+2Cl"	69.938804
"565302"	545.210752	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+2Cl"	69.938804
"1036895"	205.049852	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2Cl"	69.938804
"1256953"	419.079785	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Br"	78.918885
"1318676"	421.135772	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Cl+HCOOH"	80.974872
"1334719"	443.117729	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Cl+NaCOOH"	102.956829
"926505"	453.146486	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M-H+CF3COOH"	112.985586
"1298472"	489.123164	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Cl+CF3COOH"	148.962264
"1382426"	305.148224	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H-2H2O"	-35.012676
"1397045"	323.1582	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H-H2O"	-17.0027
"297825"	681.329076	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+H"	1.007276
"690816"	1021.489976	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+H"	1.007276
"1366232"	341.168176	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H"	1.007276
"138754"	341.168176	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+2H"	2.014552
"580019"	511.248626	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+2H"	2.014552
"1050398"	171.087726	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2H"	2.014552
"213923"	227.781209333333	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+3H"	3.021828
"655674"	341.168176	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+3H"	3.021828
"1174894"	114.394242666667	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+3H"	3.021828
"433061"	698.355623	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+NH4"	18.033823
"795882"	1038.516523	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+NH4"	18.033823
"1690025"	358.194723	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+NH4"	18.033823
"342684"	349.6814495	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+H+NH4"	19.041099
"736201"	519.7618995	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+H+NH4"	19.041099
"1488932"	179.6009995	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H+NH4"	19.041099
"398862"	703.311018	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+Na"	22.989218
"763137"	1043.471918	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+Na"	22.989218
"1615610"	363.150118	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Na"	22.989218
"326741"	352.159147	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+H+Na"	23.996494
"719162"	522.239597	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+H+Na"	23.996494
"1474072"	182.078697	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H+Na"	23.996494
"1065858"	121.721556666667	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2H+Na"	25.00377
"1271184"	373.194386	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+CH3OH+H"	33.033486
"392309"	719.284958	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+K"	38.963158
"750751"	1059.445858	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+K"	38.963158
"1546242"	379.124058	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+K"	38.963158
"308889"	360.146117	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+H+K"	39.970434
"706934"	530.226567	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+H+K"	39.970434
"1460603"	190.065667	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H+K"	39.970434
"250542"	722.355626	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+ACN+H"	42.033826
"1222645"	382.194726	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+ACN+H"	42.033826
"1208594"	191.601001	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+ACN+2H"	43.041102
"204020"	725.29296	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+2Na-H"	44.97116
"640416"	1065.45386	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+2Na-H"	44.97116
"1139550"	385.13206	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2Na-H"	44.97116
"187097"	363.150118	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+2Na"	45.978436
"623135"	533.230568	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+2Na"	45.978436
"1128463"	193.069668	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2Na"	45.978436
"1412472"	129.048870666667	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H+2Na"	46.985712
"1444234"	387.173646	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H+HCOOH"	47.012746
"235018"	368.18314	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+3H2O+2H"	56.04448
"1522717"	401.22569	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+IsoProp+H"	61.06479
"421917"	371.137088	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+Na+K"	61.952376
"784130"	541.217538	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+Na+K"	61.952376
"1678885"	201.056638	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Na+K"	61.952376
"266011"	744.337568	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+ACN+Na"	64.015768
"1240176"	404.176668	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+ACN+Na"	64.015768
"1724083"	404.200193	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+NH4+HCOOH"	64.039293
"1192605"	136.376184666667	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+3Na"	68.967654
"1660791"	409.155588	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Na+HCOOH"	68.994688
"165467"	757.24084	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+2K-H"	76.91904
"601745"	1097.40174	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+2K-H"	76.91904
"1084715"	417.07994	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2K-H"	76.91904
"142059"	379.124058	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"2M+2K"	77.926316
"585915"	549.204508	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"3M+2K"	77.926316
"1076988"	209.043608	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2K"	77.926316
"1101081"	419.094492	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2K+H"	78.933592
"1340020"	419.182107	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+DMSO+H"	79.021207
"1014019"	423.221276	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2ACN+H"	83.060376
"1539314"	424.214908	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+IsoProp+Na+H"	84.054008
"1005524"	212.114276	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+2ACN+2H"	84.067652
"1597469"	425.129528	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+K+HCOOH"	84.968628
"1428595"	455.161038	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+H+CF3COOH"	115.000138
"1157790"	232.627551	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+3ACN+2H"	125.094202
"1701874"	472.187585	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+NH4+CF3COOH"	132.026685
"1646273"	477.14298	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+Na+CF3COOH"	136.98208
"1583016"	493.11692	"C07405"	"Propiomazine"	"C20H24N2OS"	"340.1609"	"M+K+CF3COOH"	152.95602
"816304"	339.2198	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M"	0
"974647"	320.20141	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-H2O-H"	-19.01839
"72973"	225.139257333333	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M-3H"	-3.021828
"507067"	338.212524	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M-3H"	-3.021828
"895278"	112.065990666667	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-3H"	-3.021828
"5631"	338.212524	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M-2H"	-2.014552
"449566"	507.822424	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M-2H"	-2.014552
"827368"	168.602624	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-2H"	-2.014552
"93807"	677.432324	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M-H"	-1.007276
"532268"	1016.652124	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M-H"	-1.007276
"904723"	338.212524	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-H"	-1.007276
"60193"	694.458871	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M-2H+NH4"	16.019271
"498662"	1033.678671	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M-2H+NH4"	16.019271
"878289"	355.239071	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-2H+NH4"	16.019271
"43271"	699.414266	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M-2H+Na"	20.974666
"483924"	1038.634066	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M-2H+Na"	20.974666
"861733"	360.194466	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-2H+Na"	20.974666
"1631264"	360.194466	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Na-2H"	20.974666
"107790"	356.200863	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M-H+Cl"	33.962126
"544071"	525.810763	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M-H+Cl"	33.962126
"936491"	186.590963	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-H+Cl"	33.962126
"277235"	713.409002	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+Cl"	34.969402
"672939"	1052.628802	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+Cl"	34.969402
"1284249"	374.189202	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Cl"	34.969402
"26806"	715.388206	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M-2H+K"	36.948606
"467461"	1054.608006	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M-2H+K"	36.948606
"839793"	376.168406	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-2H+K"	36.948606
"1558173"	376.168406	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+K-2H"	36.948606
"956638"	384.217994	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-H+HCOOH"	44.998194
"374851"	723.437801	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+HCOOH-H"	44.998201
"356547"	737.453451	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+Hac-H"	59.013851
"1503923"	398.233651	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Hac-H"	59.013851
"969281"	406.199951	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-H+NaCOOH"	66.980151
"125360"	374.189202	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+2Cl"	69.938804
"565668"	543.799102	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+2Cl"	69.938804
"1036761"	204.579302	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2Cl"	69.938804
"1256946"	418.138685	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Br"	78.918885
"1318784"	420.194672	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Cl+HCOOH"	80.974872
"1335315"	442.176629	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Cl+NaCOOH"	102.956829
"927014"	452.205386	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M-H+CF3COOH"	112.985586
"1300769"	488.182064	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Cl+CF3COOH"	148.962264
"1382542"	304.207124	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H-2H2O"	-35.012676
"1396061"	322.2171	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H-H2O"	-17.0027
"297207"	679.446876	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+H"	1.007276
"690359"	1018.666676	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+H"	1.007276
"1365249"	340.227076	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H"	1.007276
"137771"	340.227076	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+2H"	2.014552
"579521"	509.836976	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+2H"	2.014552
"1047228"	170.617176	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2H"	2.014552
"214032"	227.153809333333	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+3H"	3.021828
"656878"	340.227076	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+3H"	3.021828
"1173913"	114.080542666667	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+3H"	3.021828
"434265"	696.473423	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+NH4"	18.033823
"793807"	1035.693223	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+NH4"	18.033823
"1689406"	357.253623	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+NH4"	18.033823
"341702"	348.7403495	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+H+NH4"	19.041099
"735583"	518.3502495	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+H+NH4"	19.041099
"1487949"	179.1304495	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H+NH4"	19.041099
"401161"	701.428818	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+Na"	22.989218
"765435"	1040.648618	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+Na"	22.989218
"1613535"	362.209018	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Na"	22.989218
"323572"	351.218047	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+H+Na"	23.996494
"717086"	520.827947	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+H+Na"	23.996494
"1471996"	181.608147	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H+Na"	23.996494
"1061960"	121.407856666667	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2H+Na"	25.00377
"1270566"	372.253286	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+CH3OH+H"	33.033486
"388408"	717.402758	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+K"	38.963158
"747581"	1056.622558	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+K"	38.963158
"1546352"	378.182958	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+K"	38.963158
"306812"	359.205017	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+H+K"	39.970434
"697045"	528.814917	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+H+K"	39.970434
"1449771"	189.595117	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H+K"	39.970434
"250773"	720.473426	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+ACN+H"	42.033826
"1218742"	381.253626	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+ACN+H"	42.033826
"1203722"	191.130451	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+ACN+2H"	43.041102
"197686"	723.41076	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+2Na-H"	44.97116
"635059"	1062.63056	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+2Na-H"	44.97116
"1137473"	384.19096	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2Na-H"	44.97116
"187813"	362.209018	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+2Na"	45.978436
"618142"	531.818918	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+2Na"	45.978436
"1127114"	192.599118	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2Na"	45.978436
"1412824"	128.735170666667	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H+2Na"	46.985712
"1444462"	386.232546	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H+HCOOH"	47.012746
"235006"	367.24204	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+3H2O+2H"	56.04448
"1521612"	400.28459	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+IsoProp+H"	61.06479
"422882"	370.195988	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+Na+K"	61.952376
"783752"	539.805888	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+Na+K"	61.952376
"1679602"	200.586088	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Na+K"	61.952376
"266486"	742.455368	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+ACN+Na"	64.015768
"1240166"	403.235568	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+ACN+Na"	64.015768
"1727231"	403.259093	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+NH4+HCOOH"	64.039293
"1191010"	136.062484666667	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+3Na"	68.967654
"1660901"	408.214488	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Na+HCOOH"	68.994688
"164483"	755.35864	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+2K-H"	76.91904
"599668"	1094.57844	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+2K-H"	76.91904
"1084907"	416.13884	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2K-H"	76.91904
"142211"	378.182958	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"2M+2K"	77.926316
"594774"	547.792858	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"3M+2K"	77.926316
"1076005"	208.573058	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2K"	77.926316
"1100053"	418.153392	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2K+H"	78.933592
"1340130"	418.241007	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+DMSO+H"	79.021207
"1013036"	422.280176	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2ACN+H"	83.060376
"1538573"	423.273808	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+IsoProp+Na+H"	84.054008
"1004047"	211.643726	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+2ACN+2H"	84.067652
"1598672"	424.188428	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+K+HCOOH"	84.968628
"1429675"	454.219938	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+H+CF3COOH"	115.000138
"1158993"	232.157001	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+3ACN+2H"	125.094202
"1705263"	471.246485	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+NH4+CF3COOH"	132.026685
"1646383"	476.20188	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+Na+CF3COOH"	136.98208
"1583126"	492.17582	"C07406"	"Propoxyphene"	"C22H29NO2"	"339.2198"	"M+K+CF3COOH"	152.95602
"816978"	259.1572	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M"	0
"988854"	240.13881	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-H2O-H"	-19.01839
"78367"	171.764190666667	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M-3H"	-3.021828
"517019"	258.149924	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M-3H"	-3.021828
"895565"	85.3784573333333	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-3H"	-3.021828
"12302"	258.149924	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M-2H"	-2.014552
"455270"	387.728524	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M-2H"	-2.014552
"832465"	128.571324	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-2H"	-2.014552
"92943"	517.307124	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M-H"	-1.007276
"533108"	776.464324	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M-H"	-1.007276
"910791"	258.149924	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-H"	-1.007276
"61883"	534.333671	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M-2H+NH4"	16.019271
"500957"	793.490871	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M-2H+NH4"	16.019271
"879005"	275.176471	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-2H+NH4"	16.019271
"40100"	539.289066	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M-2H+Na"	20.974666
"484034"	798.446266	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M-2H+Na"	20.974666
"860747"	280.131866	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-2H+Na"	20.974666
"1633278"	280.131866	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Na-2H"	20.974666
"109523"	276.138263	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M-H+Cl"	33.962126
"540900"	405.716863	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M-H+Cl"	33.962126
"932226"	146.559663	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-H+Cl"	33.962126
"268595"	553.283802	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+Cl"	34.969402
"670863"	812.441002	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+Cl"	34.969402
"1282169"	294.126602	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Cl"	34.969402
"28009"	555.263006	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M-2H+K"	36.948606
"465381"	814.420206	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M-2H+K"	36.948606
"842089"	296.105806	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-2H+K"	36.948606
"1559014"	296.105806	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+K-2H"	36.948606
"957928"	304.155394	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-H+HCOOH"	44.998194
"376744"	563.312601	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+HCOOH-H"	44.998201
"358845"	577.328251	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+Hac-H"	59.013851
"1508212"	318.171051	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Hac-H"	59.013851
"974201"	326.137351	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-H+NaCOOH"	66.980151
"124494"	294.126602	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+2Cl"	69.938804
"558220"	423.705202	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+2Cl"	69.938804
"1035778"	164.548002	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2Cl"	69.938804
"1256992"	338.076085	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Br"	78.918885
"1318898"	340.132072	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Cl+HCOOH"	80.974872
"1335497"	362.114029	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Cl+NaCOOH"	102.956829
"927059"	372.142786	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M-H+CF3COOH"	112.985586
"1301972"	408.119464	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Cl+CF3COOH"	148.962264
"1382734"	224.144524	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H-2H2O"	-35.012676
"1398419"	242.1545	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H-H2O"	-17.0027
"298370"	519.321676	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+H"	1.007276
"691281"	778.478876	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+H"	1.007276
"1366694"	260.164476	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H"	1.007276
"140554"	260.164476	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+2H"	2.014552
"579631"	389.743076	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+2H"	2.014552
"1049523"	130.585876	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2H"	2.014552
"211955"	173.778742666667	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+3H"	3.021828
"658084"	260.164476	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+3H"	3.021828
"1176939"	87.3930093333333	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+3H"	3.021828
"435107"	536.348223	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+NH4"	18.033823
"796103"	795.505423	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+NH4"	18.033823
"1691342"	277.191023	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+NH4"	18.033823
"344727"	268.6777495	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+H+NH4"	19.041099
"737513"	398.2563495	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+H+NH4"	19.041099
"1489152"	139.0991495	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H+NH4"	19.041099
"396893"	541.303618	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+Na"	22.989218
"762262"	800.460818	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+Na"	22.989218
"1611454"	282.146418	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Na"	22.989218
"325869"	271.155447	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+H+Na"	23.996494
"718655"	400.734047	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+H+Na"	23.996494
"1468828"	141.576847	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H+Na"	23.996494
"1065352"	94.7203233333333	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2H+Na"	25.00377
"1271041"	292.190686	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+CH3OH+H"	33.033486
"391073"	557.277558	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+K"	38.963158
"750971"	816.434758	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+K"	38.963158
"1546463"	298.120358	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+K"	38.963158
"311299"	279.142417	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+H+K"	39.970434
"702622"	408.721017	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+H+K"	39.970434
"1456442"	149.563817	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H+K"	39.970434
"251395"	560.348226	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+ACN+H"	42.033826
"1224810"	301.191026	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+ACN+H"	42.033826
"1203468"	151.099151	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+ACN+2H"	43.041102
"199619"	563.28556	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+2Na-H"	44.97116
"636262"	822.44276	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+2Na-H"	44.97116
"1137947"	304.12836	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2Na-H"	44.97116
"185248"	282.146418	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+2Na"	45.978436
"620439"	411.725018	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+2Na"	45.978436
"1123944"	152.567818	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2Na"	45.978436
"1409654"	102.047637333333	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H+2Na"	46.985712
"1445310"	306.169946	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H+HCOOH"	47.012746
"235577"	287.17944	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+3H2O+2H"	56.04448
"1523998"	320.22199	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+IsoProp+H"	61.06479
"423961"	290.133388	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+Na+K"	61.952376
"782407"	419.711988	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+Na+K"	61.952376
"1680972"	160.554788	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Na+K"	61.952376
"266476"	582.330168	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+ACN+Na"	64.015768
"1240882"	323.172968	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+ACN+Na"	64.015768
"1727221"	323.196493	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+NH4+HCOOH"	64.039293
"1188933"	109.374951333333	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+3Na"	68.967654
"1663199"	328.151888	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Na+HCOOH"	68.994688
"170061"	595.23344	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+2K-H"	76.91904
"601967"	854.39064	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+2K-H"	76.91904
"1089758"	336.07624	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2K-H"	76.91904
"143658"	298.120358	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"2M+2K"	77.926316
"586132"	427.698958	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"3M+2K"	77.926316
"1072834"	168.541758	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2K"	77.926316
"1104949"	338.090792	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2K+H"	78.933592
"1344615"	338.178407	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+DMSO+H"	79.021207
"1016423"	342.217576	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2ACN+H"	83.060376
"1535644"	343.211208	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+IsoProp+Na+H"	84.054008
"1005009"	171.612426	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+2ACN+2H"	84.067652
"1600969"	344.125828	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+K+HCOOH"	84.968628
"1429542"	374.157338	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+H+CF3COOH"	115.000138
"1158009"	192.125701	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+3ACN+2H"	125.094202
"1705373"	391.183885	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+NH4+CF3COOH"	132.026685
"1644306"	396.13928	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+Na+CF3COOH"	136.98208
"1579956"	412.11322	"C07407"	"Propranolol"	"C16H21NO2"	"259.1572"	"M+K+CF3COOH"	152.95602
"815065"	263.1674	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M"	0
"982766"	244.14901	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-H2O-H"	-19.01839
"69913"	174.437657333333	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M-3H"	-3.021828
"516034"	262.160124	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M-3H"	-3.021828
"891652"	86.7151906666667	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-3H"	-3.021828
"13508"	262.160124	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M-2H"	-2.014552
"453070"	393.743824	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M-2H"	-2.014552
"832090"	130.576424	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-2H"	-2.014552
"93541"	525.327524	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M-H"	-1.007276
"533344"	788.494924	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M-H"	-1.007276
"911144"	262.160124	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-H"	-1.007276
"61022"	542.354071	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M-2H+NH4"	16.019271
"496694"	805.521471	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M-2H+NH4"	16.019271
"877777"	279.186671	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-2H+NH4"	16.019271
"43491"	547.309466	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M-2H+Na"	20.974666
"480863"	810.476866	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M-2H+Na"	20.974666
"859764"	284.142066	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-2H+Na"	20.974666
"1631482"	284.142066	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Na-2H"	20.974666
"108011"	280.148463	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M-H+Cl"	33.962126
"539917"	411.732163	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M-H+Cl"	33.962126
"930150"	148.564763	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-H+Cl"	33.962126
"269433"	561.304202	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+Cl"	34.969402
"668783"	824.471602	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+Cl"	34.969402
"1279000"	298.136802	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Cl"	34.969402
"25932"	563.283406	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M-2H+K"	36.948606
"462211"	826.450806	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M-2H+K"	36.948606
"838918"	300.116006	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-2H+K"	36.948606
"1559124"	300.116006	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+K-2H"	36.948606
"944091"	308.165594	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-H+HCOOH"	44.998194
"371786"	571.333001	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+HCOOH-H"	44.998201
"355672"	585.348651	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+Hac-H"	59.013851
"1497942"	322.181251	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Hac-H"	59.013851
"961111"	330.147551	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-H+NaCOOH"	66.980151
"110424"	298.136802	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+2Cl"	69.938804
"553954"	429.720502	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+2Cl"	69.938804
"1024941"	166.553102	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2Cl"	69.938804
"1252176"	342.086285	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Br"	78.918885
"1312437"	344.142272	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Cl+HCOOH"	80.974872
"1335409"	366.124229	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Cl+NaCOOH"	102.956829
"925006"	376.152986	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M-H+CF3COOH"	112.985586
"1300983"	412.129664	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Cl+CF3COOH"	148.962264
"1380239"	228.154724	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H-2H2O"	-35.012676
"1390081"	246.1647	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H-H2O"	-17.0027
"287578"	527.342076	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+H"	1.007276
"685471"	790.509476	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+H"	1.007276
"1355259"	264.174676	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H"	1.007276
"130331"	264.174676	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+2H"	2.014552
"567704"	395.758376	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+2H"	2.014552
"1049633"	132.590976	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2H"	2.014552
"212065"	176.452209333333	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+3H"	3.021828
"650532"	264.174676	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+3H"	3.021828
"1173034"	88.7297426666667	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+3H"	3.021828
"437039"	544.368623	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+NH4"	18.033823
"795119"	807.536023	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+NH4"	18.033823
"1692545"	281.201223	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+NH4"	18.033823
"343743"	272.6879495	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+H+NH4"	19.041099
"735802"	404.2716495	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+H+NH4"	19.041099
"1489626"	141.1042495	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H+NH4"	19.041099
"398101"	549.324018	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+Na"	22.989218
"765657"	812.491418	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+Na"	22.989218
"1609379"	286.156618	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Na"	22.989218
"322699"	275.165647	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+H+Na"	23.996494
"715120"	406.749347	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+H+Na"	23.996494
"1470030"	143.581947	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H+Na"	23.996494
"1062181"	96.0570566666667	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2H+Na"	25.00377
"1267869"	296.200886	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+CH3OH+H"	33.033486
"386805"	565.297958	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+K"	38.963158
"750717"	828.465358	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+K"	38.963158
"1546573"	302.130558	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+K"	38.963158
"311044"	283.152617	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+H+K"	39.970434
"701639"	414.736317	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+H+K"	39.970434
"1454365"	151.568917	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H+K"	39.970434
"249901"	568.368626	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+ACN+H"	42.033826
"1218963"	305.201226	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+ACN+H"	42.033826
"1203940"	153.104251	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+ACN+2H"	43.041102
"198997"	571.30596	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+2Na-H"	44.97116
"636372"	834.47336	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+2Na-H"	44.97116
"1139879"	308.13856	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2Na-H"	44.97116
"185358"	286.156618	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+2Na"	45.978436
"623827"	417.740318	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+2Na"	45.978436
"1126240"	154.572918	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2Na"	45.978436
"1409764"	103.384370666667	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H+2Na"	46.985712
"1445127"	310.180146	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H+HCOOH"	47.012746
"235146"	291.18964	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+3H2O+2H"	56.04448
"1524116"	324.23219	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+IsoProp+H"	61.06479
"423950"	294.143588	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+Na+K"	61.952376
"782517"	425.727288	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+Na+K"	61.952376
"1680794"	162.559888	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Na+K"	61.952376
"265732"	590.350568	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+ACN+Na"	64.015768
"1239533"	327.183168	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+ACN+Na"	64.015768
"1727817"	327.206693	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+NH4+HCOOH"	64.039293
"1193418"	110.711684666667	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+3Na"	68.967654
"1663922"	332.162088	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Na+HCOOH"	68.994688
"172485"	603.25384	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+2K-H"	76.91904
"610825"	866.42124	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+2K-H"	76.91904
"1090962"	340.08644	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2K-H"	76.91904
"145589"	302.130558	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"2M+2K"	77.926316
"591710"	433.714258	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"3M+2K"	77.926316
"1076225"	170.546858	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2K"	77.926316
"1105060"	342.100992	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2K+H"	78.933592
"1345820"	342.188607	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+DMSO+H"	79.021207
"1017627"	346.227776	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2ACN+H"	83.060376
"1537819"	347.221408	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+IsoProp+Na+H"	84.054008
"1005528"	173.617526	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+2ACN+2H"	84.067652
"1601078"	348.136028	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+K+HCOOH"	84.968628
"1427829"	378.167538	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+H+CF3COOH"	115.000138
"1158118"	194.130801	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+3ACN+2H"	125.094202
"1705483"	395.194085	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+NH4+CF3COOH"	132.026685
"1644416"	400.14948	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+Na+CF3COOH"	136.98208
"1580066"	416.12342	"C07408"	"Protriptyline"	"C19H21N"	"263.1674"	"M+K+CF3COOH"	152.95602
"816267"	206.0878	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M"	0
"982876"	187.06941	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-H2O-H"	-19.01839
"67836"	136.384590666667	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M-3H"	-3.021828
"516144"	205.080524	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M-3H"	-3.021828
"894803"	67.6886573333333	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-3H"	-3.021828
"14593"	205.080524	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M-2H"	-2.014552
"453426"	308.124424	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M-2H"	-2.014552
"832080"	102.036624	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-2H"	-2.014552
"93531"	411.168324	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M-H"	-1.007276
"533700"	617.256124	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M-H"	-1.007276
"910652"	205.080524	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-H"	-1.007276
"62349"	428.194871	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M-2H+NH4"	16.019271
"497897"	634.282671	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M-2H+NH4"	16.019271
"877284"	222.107071	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-2H+NH4"	16.019271
"43600"	433.150266	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M-2H+Na"	20.974666
"480973"	639.238066	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M-2H+Na"	20.974666
"858781"	227.062466	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-2H+Na"	20.974666
"1630499"	227.062466	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Na-2H"	20.974666
"105935"	223.068863	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M-H+Cl"	33.962126
"543307"	326.112763	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M-H+Cl"	33.962126
"934633"	120.024963	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-H+Cl"	33.962126
"270635"	447.145002	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+Cl"	34.969402
"668893"	653.232802	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+Cl"	34.969402
"1279110"	241.057202	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Cl"	34.969402
"26042"	449.124206	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M-2H+K"	36.948606
"462321"	655.212006	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M-2H+K"	36.948606
"837935"	243.036406	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-2H+K"	36.948606
"1559233"	243.036406	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+K-2H"	36.948606
"945294"	251.085994	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-H+HCOOH"	44.998194
"363143"	457.173801	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+HCOOH-H"	44.998201
"351409"	471.189451	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+Hac-H"	59.013851
"1498052"	265.101651	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Hac-H"	59.013851
"963407"	273.067951	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-H+NaCOOH"	66.980151
"113772"	241.057202	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+2Cl"	69.938804
"555155"	344.101102	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+2Cl"	69.938804
"1028330"	138.013302	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2Cl"	69.938804
"1254108"	285.006685	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Br"	78.918885
"1314733"	287.062672	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Cl+HCOOH"	80.974872
"1333696"	309.044629	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Cl+NaCOOH"	102.956829
"924995"	319.073386	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M-H+CF3COOH"	112.985586
"1302552"	355.050064	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Cl+CF3COOH"	148.962264
"1379256"	171.075124	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H-2H2O"	-35.012676
"1391283"	189.0851	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H-H2O"	-17.0027
"287688"	413.182876	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+H"	1.007276
"685581"	619.270676	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+H"	1.007276
"1354275"	207.095076	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H"	1.007276
"130440"	207.095076	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+2H"	2.014552
"569270"	310.138976	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+2H"	2.014552
"1039897"	104.051176	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2H"	2.014552
"212175"	138.399142666667	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+3H"	3.021828
"646631"	207.095076	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+3H"	3.021828
"1172051"	69.7032093333333	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+3H"	3.021828
"435325"	430.209423	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+NH4"	18.033823
"794136"	636.297223	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+NH4"	18.033823
"1692655"	224.121623	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+NH4"	18.033823
"340931"	215.6083495	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+H+NH4"	19.041099
"734450"	318.6522495	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+H+NH4"	19.041099
"1488277"	112.5644495	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H+NH4"	19.041099
"402585"	435.164818	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+Na"	22.989218
"768684"	641.252618	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+Na"	22.989218
"1615326"	229.077018	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Na"	22.989218
"324633"	218.086047	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+H+Na"	23.996494
"717418"	321.129947	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+H+Na"	23.996494
"1473056"	115.042147	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H+Na"	23.996494
"1064477"	77.0305233333333	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2H+Na"	25.00377
"1270166"	239.121286	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+CH3OH+H"	33.033486
"385822"	451.138758	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+K"	38.963158
"750827"	657.226558	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+K"	38.963158
"1546683"	245.050958	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+K"	38.963158
"312975"	226.073017	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+H+K"	39.970434
"701749"	329.116917	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+H+K"	39.970434
"1454475"	123.029117	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H+K"	39.970434
"249891"	454.209426	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+ACN+H"	42.033826
"1220167"	248.121626	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+ACN+H"	42.033826
"1206601"	124.564451	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+ACN+2H"	43.041102
"199836"	457.14676	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+2Na-H"	44.97116
"640490"	663.23456	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+2Na-H"	44.97116
"1144001"	251.05896	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2Na-H"	44.97116
"185468"	229.077018	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+2Na"	45.978436
"623937"	332.120918	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+2Na"	45.978436
"1127444"	126.033118	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2Na"	45.978436
"1409146"	84.3578373333333	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H+2Na"	46.985712
"1444184"	253.100546	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H+HCOOH"	47.012746
"234243"	234.11004	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+3H2O+2H"	56.04448
"1523850"	267.15259	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+IsoProp+H"	61.06479
"422724"	237.063988	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+Na+K"	61.952376
"785139"	340.107888	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+Na+K"	61.952376
"1680417"	134.020088	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Na+K"	61.952376
"264748"	476.191368	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+ACN+Na"	64.015768
"1239643"	270.103568	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+ACN+Na"	64.015768
"1726953"	270.127093	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+NH4+HCOOH"	64.039293
"1193525"	91.6851513333333	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+3Na"	68.967654
"1663424"	275.082488	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Na+HCOOH"	68.994688
"172716"	489.09464	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+2K-H"	76.91904
"612153"	695.18244	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+2K-H"	76.91904
"1092168"	283.00684	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2K-H"	76.91904
"148981"	245.050958	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"2M+2K"	77.926316
"589635"	348.094858	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"3M+2K"	77.926316
"1076334"	142.007058	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2K"	77.926316
"1106263"	285.021392	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2K+H"	78.933592
"1348117"	285.109007	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+DMSO+H"	79.021207
"1016645"	289.148176	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2ACN+H"	83.060376
"1537565"	290.141808	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+IsoProp+Na+H"	84.054008
"1005520"	145.077726	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+2ACN+2H"	84.067652
"1602681"	291.056428	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+K+HCOOH"	84.968628
"1427211"	321.087938	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+H+CF3COOH"	115.000138
"1158228"	165.591001	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+3ACN+2H"	125.094202
"1705593"	338.114485	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+NH4+CF3COOH"	132.026685
"1644526"	343.06988	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+Na+CF3COOH"	136.98208
"1580176"	359.04382	"C07409"	"Pyrantel"	"C11H14N2S"	"206.0878"	"M+K+CF3COOH"	152.95602
"815648"	181.0977	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M"	0
"988333"	162.07931	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-H2O-H"	-19.01839
"73414"	119.724524	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M-3H"	-3.021828
"517348"	180.090424	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M-3H"	-3.021828
"894546"	59.358624	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-3H"	-3.021828
"14462"	180.090424	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M-2H"	-2.014552
"453778"	270.639274	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M-2H"	-2.014552
"832108"	89.541574	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-2H"	-2.014552
"92666"	361.188124	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M-H"	-1.007276
"532835"	542.285824	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M-H"	-1.007276
"910149"	180.090424	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-H"	-1.007276
"61244"	378.214671	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M-2H+NH4"	16.019271
"500072"	559.312371	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M-2H+NH4"	16.019271
"876421"	197.116971	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-2H+NH4"	16.019271
"43710"	383.170066	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M-2H+Na"	20.974666
"481083"	564.267766	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M-2H+Na"	20.974666
"852327"	202.072366	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-2H+Na"	20.974666
"1629514"	202.072366	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Na-2H"	20.974666
"107138"	198.078763	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M-H+Cl"	33.962126
"540136"	288.627613	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M-H+Cl"	33.962126
"934743"	107.529913	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-H+Cl"	33.962126
"270745"	397.164802	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+Cl"	34.969402
"667910"	578.262502	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+Cl"	34.969402
"1278127"	216.067102	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Cl"	34.969402
"23964"	399.144006	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M-2H+K"	36.948606
"462431"	580.241706	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M-2H+K"	36.948606
"835493"	218.046306	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-2H+K"	36.948606
"1558614"	218.046306	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+K-2H"	36.948606
"944311"	226.095894	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-H+HCOOH"	44.998194
"365075"	407.193601	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+HCOOH-H"	44.998201
"352612"	421.209251	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+Hac-H"	59.013851
"1497069"	240.111551	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Hac-H"	59.013851
"964611"	248.077851	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-H+NaCOOH"	66.980151
"115705"	216.067102	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+2Cl"	69.938804
"553079"	306.615952	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+2Cl"	69.938804
"1026254"	125.518252	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2Cl"	69.938804
"1244372"	260.016585	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Br"	78.918885
"1310469"	262.072572	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Cl+HCOOH"	80.974872
"1333077"	284.054529	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Cl+NaCOOH"	102.956829
"924865"	294.083286	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M-H+CF3COOH"	112.985586
"1297923"	330.059964	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Cl+CF3COOH"	148.962264
"1379366"	146.085024	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H-2H2O"	-35.012676
"1388112"	164.095	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H-H2O"	-17.0027
"287068"	363.202676	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+H"	1.007276
"683504"	544.300376	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+H"	1.007276
"1354385"	182.104976	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H"	1.007276
"130550"	182.104976	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+2H"	2.014552
"569015"	272.653826	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+2H"	2.014552
"1041464"	91.556126	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2H"	2.014552
"209005"	121.739076	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+3H"	3.021828
"648929"	182.104976	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+3H"	3.021828
"1166688"	61.373176	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+3H"	3.021828
"431063"	380.229223	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+NH4"	18.033823
"794249"	561.326923	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+NH4"	18.033823
"1689486"	199.131523	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+NH4"	18.033823
"338855"	190.6182495	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+H+NH4"	19.041099
"733467"	281.1670995	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+H+NH4"	19.041099
"1490209"	100.0693995	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H+NH4"	19.041099
"407678"	385.184618	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+Na"	22.989218
"767337"	566.282318	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+Na"	22.989218
"1617381"	204.086918	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Na"	22.989218
"326201"	193.095947	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+H+Na"	23.996494
"717528"	283.644797	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+H+Na"	23.996494
"1472803"	102.547097	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H+Na"	23.996494
"1064588"	68.70049	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2H+Na"	25.00377
"1270641"	214.131186	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+CH3OH+H"	33.033486
"385932"	401.158558	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+K"	38.963158
"750208"	582.256258	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+K"	38.963158
"1546793"	220.060858	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+K"	38.963158
"312357"	201.082917	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+H+K"	39.970434
"702952"	291.631767	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+H+K"	39.970434
"1454585"	110.534067	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H+K"	39.970434
"249392"	404.229226	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+ACN+H"	42.033826
"1220279"	223.131526	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+ACN+H"	42.033826
"1204889"	112.069401	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+ACN+2H"	43.041102
"199217"	407.16656	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+2Na-H"	44.97116
"640964"	588.26426	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+2Na-H"	44.97116
"1139003"	226.06886	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2Na-H"	44.97116
"185214"	204.086918	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+2Na"	45.978436
"624047"	294.635768	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+2Na"	45.978436
"1124274"	113.538068	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2Na"	45.978436
"1409256"	76.027804	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H+2Na"	46.985712
"1443928"	228.110446	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H+HCOOH"	47.012746
"233623"	209.11994	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+3H2O+2H"	56.04448
"1519864"	242.16249	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+IsoProp+H"	61.06479
"422105"	212.073888	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+Na+K"	61.952376
"785047"	302.622738	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+Na+K"	61.952376
"1680974"	121.525038	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Na+K"	61.952376
"261943"	426.211168	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+ACN+Na"	64.015768
"1238660"	245.113468	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+ACN+Na"	64.015768
"1727063"	245.136993	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+NH4+HCOOH"	64.039293
"1194181"	83.355118	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+3Na"	68.967654
"1664624"	250.092388	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Na+HCOOH"	68.994688
"172457"	439.11444	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+2K-H"	76.91904
"612141"	620.21214	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+2K-H"	76.91904
"1097745"	258.01674	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2K-H"	76.91904
"150186"	220.060858	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"2M+2K"	77.926316
"589744"	310.609708	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"3M+2K"	77.926316
"1075351"	129.512008	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2K"	77.926316
"1106372"	260.031292	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2K+H"	78.933592
"1349321"	260.118907	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+DMSO+H"	79.021207
"1013476"	264.158076	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2ACN+H"	83.060376
"1537068"	265.151708	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+IsoProp+Na+H"	84.054008
"1005220"	132.582676	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+2ACN+2H"	84.067652
"1599841"	266.066328	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+K+HCOOH"	84.968628
"1427687"	296.097838	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+H+CF3COOH"	115.000138
"1155059"	153.095951	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+3ACN+2H"	125.094202
"1704612"	313.124385	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+NH4+CF3COOH"	132.026685
"1645729"	318.07978	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+Na+CF3COOH"	136.98208
"1580286"	334.05372	"C07410"	"Pyridostigmine"	"C9H13N2O2"	"181.0977"	"M+K+CF3COOH"	152.95602
"816991"	157.0739	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M"	0
"988201"	138.05551	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-H2O-H"	-19.01839
"76807"	103.708657333333	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M-3H"	-3.021828
"517459"	156.066624	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M-3H"	-3.021828
"895469"	51.3506906666667	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-3H"	-3.021828
"15604"	156.066624	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M-2H"	-2.014552
"455581"	234.603574	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M-2H"	-2.014552
"830845"	77.529674	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-2H"	-2.014552
"93021"	313.140524	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M-H"	-1.007276
"533314"	470.214424	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M-H"	-1.007276
"910874"	156.066624	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-H"	-1.007276
"61724"	330.167071	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M-2H+NH4"	16.019271
"502253"	487.240971	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M-2H+NH4"	16.019271
"878963"	173.093171	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-2H+NH4"	16.019271
"43819"	335.122466	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M-2H+Na"	20.974666
"481193"	492.196366	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M-2H+Na"	20.974666
"862275"	178.048566	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-2H+Na"	20.974666
"1629623"	178.048566	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Na-2H"	20.974666
"107247"	174.054963	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M-H+Cl"	33.962126
"543527"	252.591913	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M-H+Cl"	33.962126
"934853"	95.518013	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-H+Cl"	33.962126
"273410"	349.117202	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+Cl"	34.969402
"669113"	506.191102	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+Cl"	34.969402
"1281517"	192.043302	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Cl"	34.969402
"28448"	351.096406	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M-2H+K"	36.948606
"465821"	508.170306	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M-2H+K"	36.948606
"840343"	194.022506	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-2H+K"	36.948606
"1560550"	194.022506	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+K-2H"	36.948606
"944421"	202.072094	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-H+HCOOH"	44.998194
"365554"	359.146001	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+HCOOH-H"	44.998201
"356003"	373.161651	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+Hac-H"	59.013851
"1501554"	216.087751	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Hac-H"	59.013851
"966909"	224.054051	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-H+NaCOOH"	66.980151
"116908"	192.043302	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+2Cl"	69.938804
"551000"	270.580252	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+2Cl"	69.938804
"1023076"	113.506352	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2Cl"	69.938804
"1245211"	235.992785	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Br"	78.918885
"1308391"	238.048772	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Cl+HCOOH"	80.974872
"1330272"	260.030729	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Cl+NaCOOH"	102.956829
"923516"	270.059486	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M-H+CF3COOH"	112.985586
"1302410"	306.036164	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Cl+CF3COOH"	148.962264
"1374008"	122.061224	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H-2H2O"	-35.012676
"1389315"	140.0712	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H-H2O"	-17.0027
"286814"	315.155076	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+H"	1.007276
"685802"	472.228976	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+H"	1.007276
"1357774"	158.081176	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H"	1.007276
"133941"	158.081176	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+2H"	2.014552
"574595"	236.618126	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+2H"	2.014552
"1043395"	79.544226	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2H"	2.014552
"209478"	105.723209333333	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+3H"	3.021828
"649767"	158.081176	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+3H"	3.021828
"1167891"	53.3652426666667	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+3H"	3.021828
"434458"	332.181623	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+NH4"	18.033823
"795454"	489.255523	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+NH4"	18.033823
"1687411"	175.107723	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+NH4"	18.033823
"340062"	166.5944495	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+H+NH4"	19.041099
"737588"	245.1313995	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+H+NH4"	19.041099
"1491412"	88.0574995	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H+NH4"	19.041099
"407912"	337.137018	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+Na"	22.989218
"769150"	494.210918	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+Na"	22.989218
"1616638"	180.063118	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Na"	22.989218
"328132"	169.072147	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+H+Na"	23.996494
"721771"	247.609097	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+H+Na"	23.996494
"1473276"	90.535197	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H+Na"	23.996494
"1066157"	60.6925566666667	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2H+Na"	25.00377
"1271479"	190.107386	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+CH3OH+H"	33.033486
"389325"	353.110958	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+K"	38.963158
"751411"	510.184858	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+K"	38.963158
"1546903"	196.037058	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+K"	38.963158
"313438"	177.059117	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+H+K"	39.970434
"703062"	255.596067	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+H+K"	39.970434
"1454695"	98.522167	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H+K"	39.970434
"250937"	356.181626	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+ACN+H"	42.033826
"1222582"	199.107726	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+ACN+H"	42.033826
"1209504"	100.057501	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+ACN+2H"	43.041102
"203342"	359.11896	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+2Na-H"	44.97116
"644080"	516.19286	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+2Na-H"	44.97116
"1143855"	202.04506	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2Na-H"	44.97116
"187959"	180.063118	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+2Na"	45.978436
"622341"	258.600068	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+2Na"	45.978436
"1127303"	101.526168	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2Na"	45.978436
"1410094"	68.0198706666667	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H+2Na"	46.985712
"1442946"	204.086646	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H+HCOOH"	47.012746
"231913"	185.09614	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+3H2O+2H"	56.04448
"1522893"	218.13869	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+IsoProp+H"	61.06479
"420757"	188.050088	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+Na+K"	61.952376
"779202"	266.587038	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+Na+K"	61.952376
"1675169"	109.513138	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Na+K"	61.952376
"263147"	378.163568	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+ACN+Na"	64.015768
"1238042"	221.089668	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+ACN+Na"	64.015768
"1725107"	221.113193	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+NH4+HCOOH"	64.039293
"1189372"	75.3471846666667	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+3Na"	68.967654
"1663641"	226.068588	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Na+HCOOH"	68.994688
"170501"	391.06684	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+2K-H"	76.91904
"610062"	548.14074	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+2K-H"	76.91904
"1089106"	233.99294	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2K-H"	76.91904
"145923"	196.037058	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"2M+2K"	77.926316
"588764"	274.574008	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"3M+2K"	77.926316
"1072180"	117.500108	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2K"	77.926316
"1108670"	236.007492	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2K+H"	78.933592
"1346151"	236.095107	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+DMSO+H"	79.021207
"1014679"	240.134276	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2ACN+H"	83.060376
"1537177"	241.127908	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+IsoProp+Na+H"	84.054008
"1004477"	120.570776	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+2ACN+2H"	84.067652
"1598857"	242.042528	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+K+HCOOH"	84.968628
"1426339"	272.074038	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+H+CF3COOH"	115.000138
"1156263"	141.084051	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+3ACN+2H"	125.094202
"1704722"	289.100585	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+NH4+CF3COOH"	132.026685
"1646933"	294.05598	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+Na+CF3COOH"	136.98208
"1583676"	310.02992	"C07411"	"Paramethadione"	"C7H11NO3"	"157.0739"	"M+K+CF3COOH"	152.95602
"814775"	382.2283	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M"	0
"982113"	363.20991	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-H2O-H"	-19.01839
"67074"	253.811590666667	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M-3H"	-3.021828
"507727"	381.221024	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M-3H"	-3.021828
"895212"	126.402157333333	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-3H"	-3.021828
"11758"	381.221024	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M-2H"	-2.014552
"454601"	572.335174	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M-2H"	-2.014552
"832405"	190.106874	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-2H"	-2.014552
"93980"	763.449324	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M-H"	-1.007276
"533989"	1145.677624	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M-H"	-1.007276
"911219"	381.221024	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-H"	-1.007276
"62434"	780.475871	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M-2H+NH4"	16.019271
"500413"	1162.704171	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M-2H+NH4"	16.019271
"878583"	398.247571	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-2H+NH4"	16.019271
"43929"	785.431266	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M-2H+Na"	20.974666
"481303"	1167.659566	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M-2H+Na"	20.974666
"862385"	403.202966	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-2H+Na"	20.974666
"1623172"	403.202966	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Na-2H"	20.974666
"105170"	399.209363	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M-H+Cl"	33.962126
"543637"	590.323513	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M-H+Cl"	33.962126
"936056"	208.095213	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-H+Cl"	33.962126
"273520"	799.426002	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+Cl"	34.969402
"669223"	1181.654302	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+Cl"	34.969402
"1282720"	417.197702	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Cl"	34.969402
"28558"	801.405206	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M-2H+K"	36.948606
"462651"	1183.633506	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M-2H+K"	36.948606
"840453"	419.176906	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-2H+K"	36.948606
"1560660"	419.176906	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+K-2H"	36.948606
"945262"	427.226494	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-H+HCOOH"	44.998194
"365664"	809.454801	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+HCOOH-H"	44.998201
"356113"	823.470451	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+Hac-H"	59.013851
"1501664"	441.242151	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Hac-H"	59.013851
"967019"	449.208451	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-H+NaCOOH"	66.980151
"115925"	417.197702	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+2Cl"	69.938804
"551474"	608.311852	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+2Cl"	69.938804
"1021768"	226.083552	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2Cl"	69.938804
"1244957"	461.147185	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Br"	78.918885
"1308501"	463.203172	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Cl+HCOOH"	80.974872
"1328195"	485.185129	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Cl+NaCOOH"	102.956829
"921440"	495.213886	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M-H+CF3COOH"	112.985586
"1301427"	531.190564	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Cl+CF3COOH"	148.962264
"1376304"	347.215624	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H-2H2O"	-35.012676
"1389425"	365.2256	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H-H2O"	-17.0027
"286924"	765.463876	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+H"	1.007276
"680444"	1147.692176	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+H"	1.007276
"1354601"	383.235576	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H"	1.007276
"131865"	383.235576	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+2H"	2.014552
"571423"	574.349726	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+2H"	2.014552
"1043505"	192.121426	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2H"	2.014552
"208859"	255.826142666667	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+3H"	3.021828
"649146"	383.235576	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+3H"	3.021828
"1169458"	128.416709333333	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+3H"	3.021828
"429101"	782.490423	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+NH4"	18.033823
"792280"	1164.718723	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+NH4"	18.033823
"1686791"	400.262123	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+NH4"	18.033823
"337985"	391.7488495	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+H+NH4"	19.041099
"734781"	582.8629995	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+H+NH4"	19.041099
"1489336"	200.6346995	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H+NH4"	19.041099
"405102"	787.445818	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+Na"	22.989218
"767555"	1169.674118	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+Na"	22.989218
"1613102"	405.217518	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Na"	22.989218
"328240"	394.226547	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+H+Na"	23.996494
"720665"	585.340697	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+H+Na"	23.996494
"1470471"	203.112397	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H+Na"	23.996494
"1064445"	135.744023333333	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2H+Na"	25.00377
"1270131"	415.261786	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+CH3OH+H"	33.033486
"389433"	803.419758	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+K"	38.963158
"748241"	1185.648058	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+K"	38.963158
"1543733"	421.191458	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+K"	38.963158
"313792"	402.213517	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+H+K"	39.970434
"699892"	593.327667	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+H+K"	39.970434
"1454805"	211.099367	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H+K"	39.970434
"251343"	806.490426	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+ACN+H"	42.033826
"1224514"	424.262126	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+ACN+H"	42.033826
"1208759"	212.634701	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+ACN+2H"	43.041102
"200536"	809.42776	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+2Na-H"	44.97116
"642283"	1191.65606	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+2Na-H"	44.97116
"1144693"	427.19946	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2Na-H"	44.97116
"186526"	405.217518	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+2Na"	45.978436
"624263"	596.331668	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+2Na"	45.978436
"1128141"	214.103368	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2Na"	45.978436
"1411663"	143.071337333333	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H+2Na"	46.985712
"1441961"	429.241046	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H+HCOOH"	47.012746
"232749"	410.25054	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+3H2O+2H"	56.04448
"1519720"	443.29309	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+IsoProp+H"	61.06479
"420868"	413.204488	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+Na+K"	61.952376
"780405"	604.318638	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+Na+K"	61.952376
"1676008"	222.090338	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Na+K"	61.952376
"262893"	828.472368	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+ACN+Na"	64.015768
"1237059"	446.244068	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+ACN+Na"	64.015768
"1724122"	446.267593	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+NH4+HCOOH"	64.039293
"1186203"	150.398651333333	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+3Na"	68.967654
"1660471"	451.222988	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Na+HCOOH"	68.994688
"168425"	841.37564	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+2K-H"	76.91904
"606892"	1223.60394	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+2K-H"	76.91904
"1097965"	459.14734	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2K-H"	76.91904
"148220"	421.191458	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"2M+2K"	77.926316
"584864"	612.305608	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"3M+2K"	77.926316
"1074477"	230.077308	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2K"	77.926316
"1105502"	461.161892	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2K+H"	78.933592
"1345166"	461.249507	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+DMSO+H"	79.021207
"1011509"	465.288676	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2ACN+H"	83.060376
"1535828"	466.282308	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+IsoProp+Na+H"	84.054008
"1002639"	233.147976	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+2ACN+2H"	84.067652
"1598237"	467.196928	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+K+HCOOH"	84.968628
"1424990"	497.228438	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+H+CF3COOH"	115.000138
"1153093"	253.661251	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+3ACN+2H"	125.094202
"1701552"	514.254985	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+NH4+CF3COOH"	132.026685
"1642669"	519.21038	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+Na+CF3COOH"	136.98208
"1583786"	535.18432	"C07412"	"Pyrvinium"	"C26H28N3"	"382.2283"	"M+K+CF3COOH"	152.95602
"816225"	392.1999	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M"	0
"984409"	373.18151	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-H2O-H"	-19.01839
"70464"	260.459324	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M-3H"	-3.021828
"514397"	391.192624	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M-3H"	-3.021828
"892202"	129.726024	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-3H"	-3.021828
"10775"	391.192624	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M-2H"	-2.014552
"453618"	587.292574	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M-2H"	-2.014552
"832314"	195.092674	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-2H"	-2.014552
"93119"	783.392524	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M-H"	-1.007276
"533286"	1175.592424	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M-H"	-1.007276
"910680"	391.192624	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-H"	-1.007276
"60964"	800.419071	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M-2H+NH4"	16.019271
"499430"	1192.618971	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M-2H+NH4"	16.019271
"876871"	408.219171	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-2H+NH4"	16.019271
"43918"	805.374466	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M-2H+Na"	20.974666
"481413"	1197.574366	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M-2H+Na"	20.974666
"860309"	413.174566	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-2H+Na"	20.974666
"1626562"	413.174566	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Na-2H"	20.974666
"104189"	409.180963	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M-H+Cl"	33.962126
"543748"	605.280913	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M-H+Cl"	33.962126
"936166"	213.081013	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-H+Cl"	33.962126
"273630"	819.369202	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+Cl"	34.969402
"669333"	1211.569102	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+Cl"	34.969402
"1285017"	427.169302	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Cl"	34.969402
"28304"	821.348406	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M-2H+K"	36.948606
"462761"	1213.548306	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M-2H+K"	36.948606
"840563"	429.148506	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-2H+K"	36.948606
"1558583"	429.148506	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+K-2H"	36.948606
"945372"	437.198094	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-H+HCOOH"	44.998194
"366867"	829.398001	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+HCOOH-H"	44.998201
"359503"	843.413651	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+Hac-H"	59.013851
"1503961"	451.213751	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Hac-H"	59.013851
"968222"	459.180051	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-H+NaCOOH"	66.980151
"117128"	427.169302	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+2Cl"	69.938804
"551221"	623.269252	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+2Cl"	69.938804
"1021962"	231.069352	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2Cl"	69.938804
"1245067"	471.118785	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Br"	78.918885
"1308610"	473.174772	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Cl+HCOOH"	80.974872
"1328306"	495.156729	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Cl+NaCOOH"	102.956829
"922643"	505.185486	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M-H+CF3COOH"	112.985586
"1300444"	541.162164	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Cl+CF3COOH"	148.962264
"1376415"	357.187224	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H-2H2O"	-35.012676
"1393909"	375.1972	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H-H2O"	-17.0027
"284847"	785.407076	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+H"	1.007276
"681647"	1177.606976	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+H"	1.007276
"1364560"	393.207176	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H"	1.007276
"136352"	393.207176	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+2H"	2.014552
"572630"	589.307126	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+2H"	2.014552
"1049088"	197.107226	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2H"	2.014552
"210063"	262.473876	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+3H"	3.021828
"649624"	393.207176	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+3H"	3.021828
"1169933"	131.740576	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+3H"	3.021828
"429211"	802.433623	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+NH4"	18.033823
"791297"	1194.633523	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+NH4"	18.033823
"1686537"	410.233723	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+NH4"	18.033823
"338095"	401.7204495	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+H+NH4"	19.041099
"734891"	597.8203995	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+H+NH4"	19.041099
"1490539"	205.6204995	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H+NH4"	19.041099
"404118"	807.389018	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+Na"	22.989218
"764020"	1199.588918	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+Na"	22.989218
"1614305"	415.189118	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Na"	22.989218
"328593"	404.198147	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+H+Na"	23.996494
"721624"	600.298097	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+H+Na"	23.996494
"1473497"	208.098197	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H+Na"	23.996494
"1064556"	139.06789	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2H+Na"	25.00377
"1269148"	425.233386	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+CH3OH+H"	33.033486
"389910"	823.362958	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+K"	38.963158
"747258"	1215.562858	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+K"	38.963158
"1543843"	431.163058	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+K"	38.963158
"314133"	412.185117	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+H+K"	39.970434
"700002"	608.285067	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+H+K"	39.970434
"1454915"	216.085167	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H+K"	39.970434
"251191"	826.433626	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+ACN+H"	42.033826
"1224382"	434.233726	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+ACN+H"	42.033826
"1208505"	217.620501	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+ACN+2H"	43.041102
"199188"	829.37096	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+2Na-H"	44.97116
"642393"	1221.57086	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+2Na-H"	44.97116
"1144439"	437.17106	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2Na-H"	44.97116
"185180"	415.189118	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+2Na"	45.978436
"624373"	611.289068	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+2Na"	45.978436
"1126792"	219.089168	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2Na"	45.978436
"1410316"	146.395204	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H+2Na"	46.985712
"1440979"	439.212646	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H+HCOOH"	47.012746
"231767"	420.22214	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+3H2O+2H"	56.04448
"1519101"	453.26469	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+IsoProp+H"	61.06479
"417694"	423.176088	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+Na+K"	61.952376
"779783"	619.276038	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+Na+K"	61.952376
"1677207"	227.076138	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Na+K"	61.952376
"260449"	848.415568	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+ACN+Na"	64.015768
"1235345"	456.215668	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+ACN+Na"	64.015768
"1723135"	456.239193	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+NH4+HCOOH"	64.039293
"1189956"	153.722518	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+3Na"	68.967654
"1659484"	461.194588	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Na+HCOOH"	68.994688
"167441"	861.31884	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+2K-H"	76.91904
"608095"	1253.51874	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+2K-H"	76.91904
"1096981"	469.11894	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2K-H"	76.91904
"152702"	431.163058	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"2M+2K"	77.926316
"587891"	627.263008	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"3M+2K"	77.926316
"1074588"	235.063108	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2K"	77.926316
"1104517"	471.133492	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2K+H"	78.933592
"1341996"	471.221107	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+DMSO+H"	79.021207
"1013806"	475.260276	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2ACN+H"	83.060376
"1533023"	476.253908	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+IsoProp+Na+H"	84.054008
"1000562"	238.133776	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+2ACN+2H"	84.067652
"1598347"	477.168528	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+K+HCOOH"	84.968628
"1425100"	507.200038	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+H+CF3COOH"	115.000138
"1153203"	258.647051	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+3ACN+2H"	125.094202
"1702755"	524.226585	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+NH4+CF3COOH"	132.026685
"1642779"	529.18198	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+Na+CF3COOH"	136.98208
"1583896"	545.15592	"C07413"	"Paramethasone"	"C22H29FO5"	"392.1999"	"M+K+CF3COOH"	152.95602
"815724"	159.1048	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M"	0
"984519"	140.08641	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-H2O-H"	-19.01839
"67294"	105.062590666667	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M-3H"	-3.021828
"509040"	158.097524	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M-3H"	-3.021828
"891219"	52.0276573333333	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-3H"	-3.021828
"8698"	158.097524	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M-2H"	-2.014552
"453728"	237.649924	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M-2H"	-2.014552
"832019"	78.545124	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-2H"	-2.014552
"92377"	317.202324	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M-H"	-1.007276
"531086"	476.307124	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M-H"	-1.007276
"909251"	158.097524	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-H"	-1.007276
"59981"	334.228871	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M-2H+NH4"	16.019271
"500633"	493.333671	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M-2H+NH4"	16.019271
"877343"	175.124071	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-2H+NH4"	16.019271
"44149"	339.184266	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M-2H+Na"	20.974666
"481523"	498.289066	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M-2H+Na"	20.974666
"853492"	180.079466	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-2H+Na"	20.974666
"1623756"	180.079466	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Na-2H"	20.974666
"104297"	176.085863	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M-H+Cl"	33.962126
"541671"	255.638263	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M-H+Cl"	33.962126
"932996"	96.533463	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-H+Cl"	33.962126
"269727"	353.179002	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+Cl"	34.969402
"662151"	512.283802	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+Cl"	34.969402
"1280752"	194.074202	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Cl"	34.969402
"18200"	355.158206	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M-2H+K"	36.948606
"457398"	514.263006	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M-2H+K"	36.948606
"834226"	196.053406	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-2H+K"	36.948606
"1556499"	196.053406	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+K-2H"	36.948606
"944383"	204.102994	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-H+HCOOH"	44.998194
"364790"	363.207801	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+HCOOH-H"	44.998201
"359612"	377.223451	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+Hac-H"	59.013851
"1503705"	218.118651	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Hac-H"	59.013851
"965052"	226.084951	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-H+NaCOOH"	66.980151
"115051"	194.074202	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+2Cl"	69.938804
"551330"	273.626602	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+2Cl"	69.938804
"1021583"	114.521802	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2Cl"	69.938804
"1245177"	238.023685	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Br"	78.918885
"1307627"	240.079672	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Cl+HCOOH"	80.974872
"1329508"	262.061629	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Cl+NaCOOH"	102.956829
"924939"	272.090386	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M-H+CF3COOH"	112.985586
"1300553"	308.067064	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Cl+CF3COOH"	148.962264
"1375431"	124.092124	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H-2H2O"	-35.012676
"1389645"	142.1021	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H-H2O"	-17.0027
"283134"	319.216876	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+H"	1.007276
"682850"	478.321676	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+H"	1.007276
"1354821"	160.112076	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H"	1.007276
"136462"	160.112076	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+2H"	2.014552
"571647"	239.664476	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+2H"	2.014552
"1049198"	80.559676	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2H"	2.014552
"210537"	107.077142666667	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+3H"	3.021828
"651191"	160.112076	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+3H"	3.021828
"1168950"	54.0422093333333	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+3H"	3.021828
"429321"	336.243423	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+NH4"	18.033823
"791407"	495.348223	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+NH4"	18.033823
"1687740"	177.138623	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+NH4"	18.033823
"338205"	168.6253495	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+H+NH4"	19.041099
"732815"	248.1777495	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+H+NH4"	19.041099
"1483362"	89.0729495	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H+NH4"	19.041099
"399855"	341.198818	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+Na"	22.989218
"758663"	500.303618	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+Na"	22.989218
"1611135"	182.094018	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Na"	22.989218
"322266"	171.103047	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+H+Na"	23.996494
"716873"	250.655447	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+H+Na"	23.996494
"1472513"	91.550647	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H+Na"	23.996494
"1062841"	61.3695233333333	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2H+Na"	25.00377
"1267798"	192.138286	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+CH3OH+H"	33.033486
"387103"	357.172758	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+K"	38.963158
"744088"	516.277558	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+K"	38.963158
"1541037"	198.067958	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+K"	38.963158
"311704"	179.090017	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+H+K"	39.970434
"699019"	258.642417	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+H+K"	39.970434
"1453932"	99.537617	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H+K"	39.970434
"249834"	360.243426	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+ACN+H"	42.033826
"1224004"	201.138626	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+ACN+H"	42.033826
"1206792"	101.072951	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+ACN+2H"	43.041102
"202576"	363.18076	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+2Na-H"	44.97116
"642621"	522.28556	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+2Na-H"	44.97116
"1141632"	204.07596	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2Na-H"	44.97116
"186019"	182.094018	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+2Na"	45.978436
"624119"	261.646418	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+2Na"	45.978436
"1121431"	102.541618	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2Na"	45.978436
"1402767"	68.6968373333333	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H+2Na"	46.985712
"1441817"	206.117546	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H+HCOOH"	47.012746
"232606"	187.12704	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+3H2O+2H"	56.04448
"1520304"	220.16959	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+IsoProp+H"	61.06479
"418897"	190.080988	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+Na+K"	61.952376
"779526"	269.633388	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+Na+K"	61.952376
"1671846"	110.528588	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Na+K"	61.952376
"259466"	382.225368	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+ACN+Na"	64.015768
"1234361"	223.120568	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+ACN+Na"	64.015768
"1722152"	223.144093	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+NH4+HCOOH"	64.039293
"1191524"	76.0241513333333	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+3Na"	68.967654
"1662873"	228.099488	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Na+HCOOH"	68.994688
"167550"	395.12864	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+2K-H"	76.91904
"610390"	554.23344	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+2K-H"	76.91904
"1096969"	236.02384	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2K-H"	76.91904
"154877"	198.067958	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"2M+2K"	77.926316
"589095"	277.620358	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"3M+2K"	77.926316
"1075791"	118.515558	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2K"	77.926316
"1105720"	238.038392	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2K+H"	78.933592
"1343199"	238.126007	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+DMSO+H"	79.021207
"1016103"	242.165176	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2ACN+H"	83.060376
"1534226"	243.158808	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+IsoProp+Na+H"	84.054008
"1000672"	121.586226	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+2ACN+2H"	84.067652
"1598457"	244.073428	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+K+HCOOH"	84.968628
"1425210"	274.104938	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+H+CF3COOH"	115.000138
"1154406"	142.099501	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+3ACN+2H"	125.094202
"1702865"	291.131485	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+NH4+CF3COOH"	132.026685
"1642889"	296.08688	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+Na+CF3COOH"	136.98208
"1584006"	312.06082	"C07414"	"Pargyline"	"C11H13N"	"159.1048"	"M+K+CF3COOH"	152.95602
"815834"	329.1427	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M"	0
"983536"	310.12431	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-H2O-H"	-19.01839
"70684"	218.421190666667	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M-3H"	-3.021828
"509150"	328.135424	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M-3H"	-3.021828
"891329"	108.706957333333	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-3H"	-3.021828
"8808"	328.135424	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M-2H"	-2.014552
"450558"	492.706774	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M-2H"	-2.014552
"828361"	163.564074	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-2H"	-2.014552
"90540"	657.278124	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M-H"	-1.007276
"532287"	986.420824	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M-H"	-1.007276
"909725"	328.135424	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-H"	-1.007276
"61184"	674.304671	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M-2H+NH4"	16.019271
"500743"	1003.447371	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M-2H+NH4"	16.019271
"877453"	345.161971	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-2H+NH4"	16.019271
"43895"	679.260066	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M-2H+Na"	20.974666
"481633"	1008.402766	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M-2H+Na"	20.974666
"854695"	350.117366	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-2H+Na"	20.974666
"1625688"	350.117366	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Na-2H"	20.974666
"104407"	346.123763	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M-H+Cl"	33.962126
"541781"	510.695113	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M-H+Cl"	33.962126
"937479"	181.552413	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-H+Cl"	33.962126
"272756"	693.254802	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+Cl"	34.969402
"668458"	1022.397502	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+Cl"	34.969402
"1279768"	364.112102	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Cl"	34.969402
"22325"	695.234006	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M-2H+K"	36.948606
"459699"	1024.376706	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M-2H+K"	36.948606
"833852"	366.091306	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-2H+K"	36.948606
"1557707"	366.091306	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+K-2H"	36.948606
"943525"	374.140894	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-H+HCOOH"	44.998194
"364900"	703.283601	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+HCOOH-H"	44.998201
"357538"	717.299251	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+Hac-H"	59.013851
"1507787"	388.156551	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Hac-H"	59.013851
"965162"	396.122851	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-H+NaCOOH"	66.980151
"116255"	364.112102	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+2Cl"	69.938804
"554723"	528.683452	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+2Cl"	69.938804
"1030083"	199.540752	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2Cl"	69.938804
"1245287"	408.061585	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Br"	78.918885
"1308830"	410.117572	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Cl+HCOOH"	80.974872
"1330713"	432.099529	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Cl+NaCOOH"	102.956829
"924685"	442.128286	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M-H+CF3COOH"	112.985586
"1301756"	478.104964	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Cl+CF3COOH"	148.962264
"1374448"	294.130024	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H-2H2O"	-35.012676
"1389755"	312.14	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H-H2O"	-17.0027
"286160"	659.292676	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+H"	1.007276
"682962"	988.435376	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+H"	1.007276
"1356028"	330.149976	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H"	1.007276
"135479"	330.149976	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+2H"	2.014552
"570664"	494.721326	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+2H"	2.014552
"1049308"	165.578626	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2H"	2.014552
"209554"	220.435742666667	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+3H"	3.021828
"650937"	330.149976	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+3H"	3.021828
"1168696"	110.721509333333	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+3H"	3.021828
"432711"	676.319223	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+NH4"	18.033823
"793705"	1005.461923	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+NH4"	18.033823
"1690038"	347.176523	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+NH4"	18.033823
"340503"	338.6632495	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+H+NH4"	19.041099
"734018"	503.2345995	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+H+NH4"	19.041099
"1487846"	174.0918995	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H+NH4"	19.041099
"398870"	681.274618	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+Na"	22.989218
"760961"	1010.417318	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+Na"	22.989218
"1611246"	352.131918	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Na"	22.989218
"322375"	341.140947	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+H+Na"	23.996494
"714796"	505.712297	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+H+Na"	23.996494
"1471531"	176.569597	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H+Na"	23.996494
"1060764"	118.048823333333	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2H+Na"	25.00377
"1266451"	362.176186	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+CH3OH+H"	33.033486
"385390"	697.248558	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+K"	38.963158
"744198"	1026.391258	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+K"	38.963158
"1541875"	368.105858	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+K"	38.963158
"313270"	349.127917	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+H+K"	39.970434
"699129"	513.699267	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+H+K"	39.970434
"1457324"	184.556567	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H+K"	39.970434
"248850"	700.319226	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+ACN+H"	42.033826
"1221924"	371.176526	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+ACN+H"	42.033826
"1206902"	186.091901	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+ACN+2H"	43.041102
"202565"	703.25656	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+2Na-H"	44.97116
"642242"	1032.39926	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+2Na-H"	44.97116
"1139555"	374.11386	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2Na-H"	44.97116
"179564"	352.131918	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+2Na"	45.978436
"617663"	516.703268	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+2Na"	45.978436
"1119354"	187.560568	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2Na"	45.978436
"1402147"	125.376137333333	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H+2Na"	46.985712
"1443745"	376.155446	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H+HCOOH"	47.012746
"227972"	357.16494	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+3H2O+2H"	56.04448
"1514940"	390.20749	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+IsoProp+H"	61.06479
"419000"	360.118888	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+Na+K"	61.952376
"777811"	524.690238	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+Na+K"	61.952376
"1675234"	195.547538	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Na+K"	61.952376
"262122"	722.301168	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+ACN+Na"	64.015768
"1233372"	393.158468	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+ACN+Na"	64.015768
"1722262"	393.181993	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+NH4+HCOOH"	64.039293
"1189807"	132.703451333333	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+3Na"	68.967654
"1659700"	398.137388	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Na+HCOOH"	68.994688
"167660"	735.20444	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+2K-H"	76.91904
"608314"	1064.34714	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+2K-H"	76.91904
"1096107"	406.06174	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2K-H"	76.91904
"152922"	368.105858	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"2M+2K"	77.926316
"592484"	532.677208	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"3M+2K"	77.926316
"1074806"	203.534508	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2K"	77.926316
"1110205"	408.076292	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2K+H"	78.933592
"1347681"	408.163907	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+DMSO+H"	79.021207
"1017305"	412.203076	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2ACN+H"	83.060376
"1533243"	413.196708	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+IsoProp+Na+H"	84.054008
"1001878"	206.605176	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+2ACN+2H"	84.067652
"1597477"	414.111328	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+K+HCOOH"	84.968628
"1423133"	444.142838	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+H+CF3COOH"	115.000138
"1155610"	227.118451	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+3ACN+2H"	125.094202
"1702975"	461.169385	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+NH4+CF3COOH"	132.026685
"1646279"	466.12478	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+Na+CF3COOH"	136.98208
"1584116"	482.09872	"C07415"	"Paroxetine"	"C19H20FNO3"	"329.1427"	"M+K+CF3COOH"	152.95602
"815945"	291.2198	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M"	0
"983646"	272.20141	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-H2O-H"	-19.01839
"67513"	193.139257333333	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M-3H"	-3.021828
"509260"	290.212524	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M-3H"	-3.021828
"891440"	96.0659906666667	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-3H"	-3.021828
"10012"	290.212524	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M-2H"	-2.014552
"450668"	435.822424	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M-2H"	-2.014552
"830658"	144.602624	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-2H"	-2.014552
"90650"	581.432324	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M-H"	-1.007276
"531304"	872.652124	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M-H"	-1.007276
"909106"	290.212524	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-H"	-1.007276
"61902"	598.458871	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M-2H+NH4"	16.019271
"500732"	889.678671	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M-2H+NH4"	16.019271
"878292"	307.239071	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-2H+NH4"	16.019271
"37808"	603.414266	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M-2H+Na"	20.974666
"478826"	894.634066	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M-2H+Na"	20.974666
"853712"	312.194466	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-2H+Na"	20.974666
"1622151"	312.194466	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Na-2H"	20.974666
"97221"	308.200863	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M-H+Cl"	33.962126
"542986"	453.810763	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M-H+Cl"	33.962126
"937592"	162.590963	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-H+Cl"	33.962126
"280523"	617.409002	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+Cl"	34.969402
"674038"	908.628802	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+Cl"	34.969402
"1279880"	326.189202	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Cl"	34.969402
"24623"	619.388206	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M-2H+K"	36.948606
"458715"	910.608006	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M-2H+K"	36.948606
"837611"	328.168406	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-2H+K"	36.948606
"1561101"	328.168406	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+K-2H"	36.948606
"947889"	336.217994	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-H+HCOOH"	44.998194
"371573"	627.437801	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+HCOOH-H"	44.998201
"356555"	641.453451	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+Hac-H"	59.013851
"1503928"	350.233651	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Hac-H"	59.013851
"963085"	358.199951	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-H+NaCOOH"	66.980151
"116365"	326.189202	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+2Cl"	69.938804
"554833"	471.799102	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+2Cl"	69.938804
"1028007"	180.579302	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2Cl"	69.938804
"1246491"	370.138685	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Br"	78.918885
"1307847"	372.194672	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Cl+HCOOH"	80.974872
"1329732"	394.176629	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Cl+NaCOOH"	102.956829
"925160"	404.205386	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M-H+CF3COOH"	112.985586
"1302958"	440.182064	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Cl+CF3COOH"	148.962264
"1372372"	256.207124	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H-2H2O"	-35.012676
"1386585"	274.2171	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H-H2O"	-17.0027
"286269"	583.446876	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+H"	1.007276
"683073"	874.666676	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+H"	1.007276
"1356138"	292.227076	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H"	1.007276
"134496"	292.227076	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+2H"	2.014552
"571139"	437.836976	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+2H"	2.014552
"1047232"	146.617176	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2H"	2.014552
"211123"	195.153809333333	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+3H"	3.021828
"648495"	292.227076	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+3H"	3.021828
"1165161"	98.0805426666667	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+3H"	3.021828
"433915"	600.473423	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+NH4"	18.033823
"794910"	891.693223	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+NH4"	18.033823
"1687961"	309.253623	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+NH4"	18.033823
"339520"	300.7403495	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+H+NH4"	19.041099
"728661"	446.3502495	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+H+NH4"	19.041099
"1489049"	155.1304495	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H+NH4"	19.041099
"400073"	605.428818	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+Na"	22.989218
"764352"	896.648618	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+Na"	22.989218
"1612449"	314.209018	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Na"	22.989218
"322483"	303.218047	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+H+Na"	23.996494
"715998"	448.827947	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+H+Na"	23.996494
"1473099"	157.608147	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H+Na"	23.996494
"1060877"	105.407856666667	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2H+Na"	25.00377
"1265834"	324.253286	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+CH3OH+H"	33.033486
"387325"	621.402758	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+K"	38.963158
"747590"	912.622558	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+K"	38.963158
"1545268"	330.182958	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+K"	38.963158
"311195"	311.205017	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+H+K"	39.970434
"705801"	456.814917	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+H+K"	39.970434
"1460351"	165.595117	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H+K"	39.970434
"250416"	624.473426	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+ACN+H"	42.033826
"1220941"	333.253626	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+ACN+H"	42.033826
"1207863"	167.130451	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+ACN+2H"	43.041102
"199882"	627.41076	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+2Na-H"	44.97116
"643572"	918.63056	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+2Na-H"	44.97116
"1145132"	336.19096	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2Na-H"	44.97116
"180768"	314.209018	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+2Na"	45.978436
"617409"	459.818918	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+2Na"	45.978436
"1122745"	168.599118	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2Na"	45.978436
"1400801"	112.735170666667	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H+2Na"	46.985712
"1431216"	338.232546	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H+HCOOH"	47.012746
"221883"	319.24204	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+3H2O+2H"	56.04448
"1515050"	352.28459	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+IsoProp+H"	61.06479
"415828"	322.195988	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+Na+K"	61.952376
"779012"	467.805888	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+Na+K"	61.952376
"1672062"	176.586088	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Na+K"	61.952376
"258582"	646.455368	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+ACN+Na"	64.015768
"1235668"	355.235568	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+ACN+Na"	64.015768
"1723465"	355.259093	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+NH4+HCOOH"	64.039293
"1189916"	120.062484666667	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+3Na"	68.967654
"1660899"	360.214488	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Na+HCOOH"	68.994688
"172388"	659.35864	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+2K-H"	76.91904
"612775"	950.57844	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+2K-H"	76.91904
"1099134"	368.13884	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2K-H"	76.91904
"156923"	330.182958	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"2M+2K"	77.926316
"594778"	475.792858	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"3M+2K"	77.926316
"1083547"	184.573058	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2K"	77.926316
"1112500"	370.153392	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2K+H"	78.933592
"1348884"	370.241007	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+DMSO+H"	79.021207
"1019600"	374.280176	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2ACN+H"	83.060376
"1539432"	375.273808	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+IsoProp+Na+H"	84.054008
"1001987"	187.643726	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+2ACN+2H"	84.067652
"1600864"	376.188428	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+K+HCOOH"	84.968628
"1422150"	406.219938	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+H+CF3COOH"	115.000138
"1155720"	208.157001	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+3ACN+2H"	125.094202
"1705272"	423.246485	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+NH4+CF3COOH"	132.026685
"1646389"	428.20188	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+Na+CF3COOH"	136.98208
"1584226"	444.17582	"C07416"	"Penbutolol"	"C18H29NO2"	"291.2198"	"M+K+CF3COOH"	152.95602
"816776"	253.1175	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M"	0
"988131"	234.09911	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-H2O-H"	-19.01839
"77465"	167.737724	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M-3H"	-3.021828
"517633"	252.110224	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M-3H"	-3.021828
"891548"	83.365224	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-3H"	-3.021828
"15430"	252.110224	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M-2H"	-2.014552
"451871"	378.668974	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M-2H"	-2.014552
"832028"	125.551474	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-2H"	-2.014552
"91853"	505.227724	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M-H"	-1.007276
"531413"	758.345224	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M-H"	-1.007276
"909216"	252.110224	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-H"	-1.007276
"61282"	522.254271	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M-2H+NH4"	16.019271
"500842"	775.371771	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M-2H+NH4"	16.019271
"879497"	269.136771	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-2H+NH4"	16.019271
"37918"	527.209666	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M-2H+Na"	20.974666
"480759"	780.327166	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M-2H+Na"	20.974666
"853822"	274.092166	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-2H+Na"	20.974666
"1622261"	274.092166	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Na-2H"	20.974666
"98426"	270.098563	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M-H+Cl"	33.962126
"545282"	396.657313	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M-H+Cl"	33.962126
"938795"	143.539813	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-H+Cl"	33.962126
"278446"	541.204402	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+Cl"	34.969402
"674756"	794.321902	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+Cl"	34.969402
"1282176"	288.086902	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Cl"	34.969402
"25827"	543.183606	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M-2H+K"	36.948606
"459919"	796.301106	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M-2H+K"	36.948606
"835534"	290.066106	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-2H+K"	36.948606
"1561211"	290.066106	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+K-2H"	36.948606
"952374"	298.115694	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-H+HCOOH"	44.998194
"371683"	551.233201	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+HCOOH-H"	44.998201
"356665"	565.248851	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+Hac-H"	59.013851
"1504402"	312.131351	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Hac-H"	59.013851
"963195"	320.097651	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-H+NaCOOH"	66.980151
"116475"	288.086902	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+2Cl"	69.938804
"554943"	414.645652	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+2Cl"	69.938804
"1028117"	161.528152	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2Cl"	69.938804
"1246601"	332.036385	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Br"	78.918885
"1309050"	334.092372	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Cl+HCOOH"	80.974872
"1334818"	356.074329	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Cl+NaCOOH"	102.956829
"926723"	366.103086	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M-H+CF3COOH"	112.985586
"1303799"	402.079764	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Cl+CF3COOH"	148.962264
"1379042"	218.104824	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H-2H2O"	-35.012676
"1385966"	236.1148	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H-H2O"	-17.0027
"285285"	507.242276	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+H"	1.007276
"686461"	760.359776	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+H"	1.007276
"1356248"	254.124776	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H"	1.007276
"131321"	254.124776	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+2H"	2.014552
"571249"	380.683526	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+2H"	2.014552
"1048435"	127.566026	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2H"	2.014552
"214149"	169.752276	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+3H"	3.021828
"648606"	254.124776	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+3H"	3.021828
"1166000"	85.379776	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+3H"	3.021828
"434027"	524.268823	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+NH4"	18.033823
"798299"	777.386323	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+NH4"	18.033823
"1692447"	271.151323	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+NH4"	18.033823
"341817"	262.6380495	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+H+NH4"	19.041099
"730957"	389.1967995	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+H+NH4"	19.041099
"1490253"	136.0792995	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H+NH4"	19.041099
"405654"	529.224218	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+Na"	22.989218
"766650"	782.341718	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+Na"	22.989218
"1616570"	276.106718	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Na"	22.989218
"324781"	265.115747	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+H+Na"	23.996494
"719390"	391.674497	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+H+Na"	23.996494
"1474302"	138.556997	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H+Na"	23.996494
"1062080"	92.70709	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2H+Na"	25.00377
"1265945"	286.150986	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+CH3OH+H"	33.033486
"387799"	545.198158	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+K"	38.963158
"749886"	798.315658	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+K"	38.963158
"1546471"	292.080658	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+K"	38.963158
"313127"	273.102717	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+H+K"	39.970434
"705790"	399.661467	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+H+K"	39.970434
"1454264"	146.543967	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H+K"	39.970434
"249431"	548.268826	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+ACN+H"	42.033826
"1225429"	295.151326	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+ACN+H"	42.033826
"1208216"	148.079301	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+ACN+2H"	43.041102
"203758"	551.20616	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+2Na-H"	44.97116
"643557"	804.32366	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+2Na-H"	44.97116
"1145242"	298.08866	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2Na-H"	44.97116
"180878"	276.106718	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+2Na"	45.978436
"618247"	402.665468	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+2Na"	45.978436
"1121762"	149.547968	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2Na"	45.978436
"1407471"	100.034404	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H+2Na"	46.985712
"1434121"	300.130246	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H+HCOOH"	47.012746
"222356"	281.13974	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+3H2O+2H"	56.04448
"1515160"	314.18229	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+IsoProp+H"	61.06479
"417033"	284.093688	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+Na+K"	61.952376
"781309"	410.652438	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+Na+K"	61.952376
"1674361"	157.534938	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Na+K"	61.952376
"258692"	570.250768	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+ACN+Na"	64.015768
"1237964"	317.133268	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+ACN+Na"	64.015768
"1724668"	317.156793	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+NH4+HCOOH"	64.039293
"1187839"	107.361718	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+3Na"	68.967654
"1661009"	322.112188	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Na+HCOOH"	68.994688
"170063"	583.15404	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+2K-H"	76.91904
"610719"	836.27154	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+2K-H"	76.91904
"1098635"	330.03654	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2K-H"	76.91904
"154235"	292.080658	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"2M+2K"	77.926316
"589422"	418.639408	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"3M+2K"	77.926316
"1076121"	165.521908	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2K"	77.926316
"1110423"	332.051092	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2K+H"	78.933592
"1344621"	332.138707	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+DMSO+H"	79.021207
"1017525"	336.177876	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2ACN+H"	83.060376
"1535650"	337.171508	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+IsoProp+Na+H"	84.054008
"1003192"	168.592576	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+2ACN+2H"	84.067652
"1600976"	338.086128	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+K+HCOOH"	84.968628
"1427727"	368.117638	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+H+CF3COOH"	115.000138
"1156924"	189.105851	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+3ACN+2H"	125.094202
"1707569"	385.144185	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+NH4+CF3COOH"	132.026685
"1646500"	390.09958	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+Na+CF3COOH"	136.98208
"1584336"	406.07352	"C07417"	"Penciclovir"	"C10H15N5O3"	"253.1175"	"M+K+CF3COOH"	152.95602
"816163"	149.051	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M"	0
"983866"	130.03261	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-H2O-H"	-19.01839
"73202"	98.3600573333333	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M-3H"	-3.021828
"514948"	148.043724	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M-3H"	-3.021828
"892751"	48.6763906666667	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-3H"	-3.021828
"12421"	148.043724	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M-2H"	-2.014552
"450888"	222.569224	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M-2H"	-2.014552
"830879"	73.518224	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-2H"	-2.014552
"91963"	297.094724	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M-H"	-1.007276
"530430"	446.145724	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M-H"	-1.007276
"904953"	148.043724	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-H"	-1.007276
"60420"	314.121271	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M-2H+NH4"	16.019271
"497794"	463.172271	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M-2H+NH4"	16.019271
"876690"	165.070271	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-2H+NH4"	16.019271
"41309"	319.076666	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M-2H+Na"	20.974666
"475038"	468.127666	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M-2H+Na"	20.974666
"854298"	170.025666	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-2H+Na"	20.974666
"1624926"	170.025666	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Na-2H"	20.974666
"98537"	166.032063	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M-H+Cl"	33.962126
"547578"	240.557563	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M-H+Cl"	33.962126
"938907"	91.506563	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-H+Cl"	33.962126
"278556"	333.071402	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+Cl"	34.969402
"672071"	482.122402	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+Cl"	34.969402
"1284475"	184.020402	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Cl"	34.969402
"25938"	335.050606	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M-2H+K"	36.948606
"465497"	484.101606	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M-2H+K"	36.948606
"835644"	185.999606	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-2H+K"	36.948606
"1562414"	185.999606	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+K-2H"	36.948606
"955764"	194.049194	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-H+HCOOH"	44.998194
"371793"	343.100201	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+HCOOH-H"	44.998201
"357868"	357.115851	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+Hac-H"	59.013851
"1505241"	208.064851	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Hac-H"	59.013851
"963305"	216.031151	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-H+NaCOOH"	66.980151
"116586"	184.020402	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+2Cl"	69.938804
"553961"	258.545902	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+2Cl"	69.938804
"1028228"	109.494902	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2Cl"	69.938804
"1248898"	227.969885	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Br"	78.918885
"1306974"	230.025872	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Cl+HCOOH"	80.974872
"1335330"	252.007829	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Cl+NaCOOH"	102.956829
"925375"	262.036586	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M-H+CF3COOH"	112.985586
"1303544"	298.013264	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Cl+CF3COOH"	148.962264
"1375872"	114.038324	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H-2H2O"	-35.012676
"1384619"	132.0483	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H-H2O"	-17.0027
"283531"	299.109276	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+H"	1.007276
"686571"	448.160276	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+H"	1.007276
"1355265"	150.058276	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H"	1.007276
"128516"	150.058276	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+2H"	2.014552
"570266"	224.583776	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+2H"	2.014552
"1044171"	75.532776	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2H"	2.014552
"210979"	100.374609333333	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+3H"	3.021828
"649445"	150.058276	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+3H"	3.021828
"1166110"	50.6909426666667	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+3H"	3.021828
"431950"	316.135823	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+NH4"	18.033823
"794037"	465.186823	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+NH4"	18.033823
"1688182"	167.084823	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+NH4"	18.033823
"337554"	158.5715495	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+H+NH4"	19.041099
"726694"	233.0970495	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+H+NH4"	19.041099
"1488906"	84.0460495	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H+NH4"	19.041099
"401389"	321.091218	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+Na"	22.989218
"766760"	470.142218	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+Na"	22.989218
"1617533"	172.040218	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Na"	22.989218
"327078"	161.049247	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+H+Na"	23.996494
"721566"	235.574747	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+H+Na"	23.996494
"1470039"	86.523747	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H+Na"	23.996494
"1058908"	58.0182566666667	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2H+Na"	25.00377
"1267149"	182.084486	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+CH3OH+H"	33.033486
"389003"	337.065158	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+K"	38.963158
"747811"	486.116158	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+K"	38.963158
"1552051"	188.014158	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+K"	38.963158
"311416"	169.036217	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+H+K"	39.970434
"703838"	243.561717	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+H+K"	39.970434
"1459845"	94.510717	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H+K"	39.970434
"250270"	340.135826	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+ACN+H"	42.033826
"1224685"	191.084826	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+ACN+H"	42.033826
"1208691"	96.046051	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+ACN+2H"	43.041102
"203017"	343.07316	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+2Na-H"	44.97116
"643183"	492.12416	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+2Na-H"	44.97116
"1145110"	194.02216	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2Na-H"	44.97116
"180988"	172.040218	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+2Na"	45.978436
"619816"	246.565718	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+2Na"	45.978436
"1120777"	97.514718	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2Na"	45.978436
"1400291"	65.3455706666667	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H+2Na"	46.985712
"1438603"	196.063746	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H+HCOOH"	47.012746
"228300"	177.07324	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+3H2O+2H"	56.04448
"1518550"	210.11579	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+IsoProp+H"	61.06479
"419329"	180.027188	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+Na+K"	61.952376
"779233"	254.552688	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+Na+K"	61.952376
"1673378"	105.501688	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Na+K"	61.952376
"258802"	362.117768	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+ACN+Na"	64.015768
"1235887"	213.066768	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+ACN+Na"	64.015768
"1723682"	213.090293	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+NH4+HCOOH"	64.039293
"1189042"	72.6728846666667	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+3Na"	68.967654
"1661119"	218.045688	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Na+HCOOH"	68.994688
"172486"	375.02104	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+2K-H"	76.91904
"612573"	524.07204	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+2K-H"	76.91904
"1098502"	225.97004	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2K-H"	76.91904
"155438"	188.014158	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"2M+2K"	77.926316
"589532"	262.539658	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"3M+2K"	77.926316
"1075137"	113.488658	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2K"	77.926316
"1109438"	227.984592	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2K+H"	78.933592
"1345824"	228.072207	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+DMSO+H"	79.021207
"1019700"	232.111376	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2ACN+H"	83.060376
"1538556"	233.105008	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+IsoProp+Na+H"	84.054008
"1002207"	116.559326	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+2ACN+2H"	84.067652
"1598898"	234.019628	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+K+HCOOH"	84.968628
"1427838"	264.051138	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+H+CF3COOH"	115.000138
"1160312"	137.072601	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+3ACN+2H"	125.094202
"1707679"	281.077685	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+NH4+CF3COOH"	132.026685
"1646610"	286.03308	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+Na+CF3COOH"	136.98208
"1584446"	302.00702	"C07418"	"Penicillamine"	"C5H11NO2S"	"149.051"	"M+K+CF3COOH"	152.95602
"816396"	340.1899	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M"	0
"985069"	321.17151	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-H2O-H"	-19.01839
"73312"	225.785990666667	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M-3H"	-3.021828
"515058"	339.182624	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M-3H"	-3.021828
"893590"	112.389357333333	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-3H"	-3.021828
"12411"	339.182624	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M-2H"	-2.014552
"450998"	509.277574	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M-2H"	-2.014552
"828803"	169.087674	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-2H"	-2.014552
"88792"	679.372524	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M-H"	-1.007276
"529447"	1019.562424	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M-H"	-1.007276
"903967"	339.182624	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-H"	-1.007276
"55062"	696.399071	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M-2H+NH4"	16.019271
"498997"	1036.588971	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M-2H+NH4"	16.019271
"875707"	356.209171	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-2H+NH4"	16.019271
"41419"	701.354466	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M-2H+Na"	20.974666
"474420"	1041.544366	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M-2H+Na"	20.974666
"852222"	361.164566	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-2H+Na"	20.974666
"1623943"	361.164566	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Na-2H"	20.974666
"98283"	357.170963	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M-H+Cl"	33.962126
"545501"	527.265913	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M-H+Cl"	33.962126
"936830"	187.076013	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-H+Cl"	33.962126
"275386"	715.349202	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+Cl"	34.969402
"671088"	1055.539102	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+Cl"	34.969402
"1283492"	375.159302	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Cl"	34.969402
"26048"	717.328406	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M-2H+K"	36.948606
"462327"	1057.518306	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M-2H+K"	36.948606
"834661"	377.138506	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-2H+K"	36.948606
"1562524"	377.138506	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+K-2H"	36.948606
"952594"	385.188094	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-H+HCOOH"	44.998194
"368623"	725.378001	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+HCOOH-H"	44.998201
"355792"	739.393651	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+Hac-H"	59.013851
"1502435"	399.203751	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Hac-H"	59.013851
"963415"	407.170051	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-H+NaCOOH"	66.980151
"115602"	375.159302	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+2Cl"	69.938804
"555164"	545.254252	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+2Cl"	69.938804
"1028338"	205.064352	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2Cl"	69.938804
"1249009"	419.108785	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Br"	78.918885
"1307084"	421.164772	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Cl+HCOOH"	80.974872
"1334427"	443.146729	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Cl+NaCOOH"	102.956829
"925121"	453.175486	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M-H+CF3COOH"	112.985586
"1298913"	489.152164	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Cl+CF3COOH"	148.962264
"1372700"	305.177224	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H-2H2O"	-35.012676
"1383625"	323.1872	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H-H2O"	-17.0027
"283029"	681.387076	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+H"	1.007276
"676835"	1021.576976	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+H"	1.007276
"1353553"	341.197176	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H"	1.007276
"126804"	341.197176	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+2H"	2.014552
"573291"	511.292126	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+2H"	2.014552
"1044281"	171.102226	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2H"	2.014552
"207807"	227.800542666667	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+3H"	3.021828
"648461"	341.197176	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+3H"	3.021828
"1168042"	114.403909333333	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+3H"	3.021828
"430966"	698.413623	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+NH4"	18.033823
"797424"	1038.603523	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+NH4"	18.033823
"1688292"	358.223723	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+NH4"	18.033823
"338756"	349.7104495	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+H+NH4"	19.041099
"728987"	519.8053995	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+H+NH4"	19.041099
"1491080"	179.6154995	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H+NH4"	19.041099
"404777"	703.369018	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+Na"	22.989218
"766869"	1043.558918	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+Na"	22.989218
"1617033"	363.179118	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Na"	22.989218
"325003"	352.188147	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+H+Na"	23.996494
"719610"	522.283097	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+H+Na"	23.996494
"1471242"	182.093197	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H+Na"	23.996494
"1062298"	121.731223333333	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2H+Na"	25.00377
"1268352"	373.223386	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+CH3OH+H"	33.033486
"389842"	719.342958	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+K"	38.963158
"749014"	1059.532858	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+K"	38.963158
"1553254"	379.153058	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+K"	38.963158
"313592"	360.175117	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+H+K"	39.970434
"704677"	530.270067	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+H+K"	39.970434
"1460320"	190.080167	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H+K"	39.970434
"249895"	722.413626	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+ACN+H"	42.033826
"1223092"	382.223726	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+ACN+H"	42.033826
"1208069"	191.615501	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+ACN+2H"	43.041102
"200940"	725.35096	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+2Na-H"	44.97116
"641590"	1065.54086	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+2Na-H"	44.97116
"1144977"	385.16106	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2Na-H"	44.97116
"181098"	363.179118	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+2Na"	45.978436
"618833"	533.274068	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+2Na"	45.978436
"1119793"	193.084168	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2Na"	45.978436
"1400037"	129.058537333333	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H+2Na"	46.985712
"1433246"	387.202646	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H+HCOOH"	47.012746
"228411"	368.21214	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+3H2O+2H"	56.04448
"1515377"	401.25469	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+IsoProp+H"	61.06479
"413968"	371.166088	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+Na+K"	61.952376
"780435"	541.261038	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+Na+K"	61.952376
"1670206"	201.071138	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Na+K"	61.952376
"258912"	744.395568	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+ACN+Na"	64.015768
"1232715"	404.205668	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+ACN+Na"	64.015768
"1719413"	404.229193	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+NH4+HCOOH"	64.039293
"1191337"	136.385851333333	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+3Na"	68.967654
"1661229"	409.184588	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Na+HCOOH"	68.994688
"171375"	757.29884	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+2K-H"	76.91904
"608749"	1097.48874	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+2K-H"	76.91904
"1095448"	417.10894	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2K-H"	76.91904
"156887"	379.153058	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"2M+2K"	77.926316
"590735"	549.248008	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"3M+2K"	77.926316
"1079621"	209.058108	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2K"	77.926316
"1111735"	419.123492	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2K+H"	78.933592
"1347030"	419.211107	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+DMSO+H"	79.021207
"1015558"	423.250276	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2ACN+H"	83.060376
"1538908"	424.243908	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+IsoProp+Na+H"	84.054008
"1002318"	212.128776	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+2ACN+2H"	84.067652
"1601803"	425.158528	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+K+HCOOH"	84.968628
"1427947"	455.190038	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+H+CF3COOH"	115.000138
"1160422"	232.642051	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+3ACN+2H"	125.094202
"1711069"	472.216585	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+NH4+CF3COOH"	132.026685
"1648906"	477.17198	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+Na+CF3COOH"	136.98208
"1584556"	493.14592	"C07420"	"Pentamidine"	"C19H24N4O2"	"340.1899"	"M+K+CF3COOH"	152.95602
"816874"	285.2093	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M"	0
"985179"	266.19091	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-H2O-H"	-19.01839
"71235"	189.132257333333	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M-3H"	-3.021828
"511890"	284.202024	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M-3H"	-3.021828
"892974"	94.0624906666666	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-3H"	-3.021828
"12642"	284.202024	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M-2H"	-2.014552
"452204"	426.806674	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M-2H"	-2.014552
"828913"	141.597374	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-2H"	-2.014552
"89997"	569.411324	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M-H"	-1.007276
"533939"	854.620624	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M-H"	-1.007276
"910768"	284.202024	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-H"	-1.007276
"61860"	586.437871	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M-2H+NH4"	16.019271
"501177"	871.647171	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M-2H+NH4"	16.019271
"874723"	301.228571	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-2H+NH4"	16.019271
"36790"	591.393266	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M-2H+Na"	20.974666
"477080"	876.602566	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M-2H+Na"	20.974666
"854519"	306.183966	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-2H+Na"	20.974666
"1622958"	306.183966	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Na-2H"	20.974666
"98393"	302.190363	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M-H+Cl"	33.962126
"544518"	444.795013	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M-H+Cl"	33.962126
"936940"	159.585713	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-H+Cl"	33.962126
"275496"	605.388002	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+Cl"	34.969402
"672291"	890.597302	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+Cl"	34.969402
"1284695"	320.178702	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Cl"	34.969402
"25065"	607.367206	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M-2H+K"	36.948606
"462437"	892.576506	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M-2H+K"	36.948606
"835864"	322.157906	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-2H+K"	36.948606
"1561541"	322.157906	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+K-2H"	36.948606
"953797"	330.207494	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-H+HCOOH"	44.998194
"369826"	615.416801	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+HCOOH-H"	44.998201
"352622"	629.432451	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+Hac-H"	59.013851
"1500358"	344.223151	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Hac-H"	59.013851
"966805"	352.189451	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-H+NaCOOH"	66.980151
"115712"	320.178702	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+2Cl"	69.938804
"557461"	462.783352	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+2Cl"	69.938804
"1030635"	177.574052	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2Cl"	69.938804
"1252399"	364.128185	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Br"	78.918885
"1310475"	366.184172	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Cl+HCOOH"	80.974872
"1329071"	388.166129	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Cl+NaCOOH"	102.956829
"922313"	398.194886	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M-H+CF3COOH"	112.985586
"1300115"	434.171564	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Cl+CF3COOH"	148.962264
"1372809"	250.196624	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H-2H2O"	-35.012676
"1388116"	268.2066	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H-H2O"	-17.0027
"283426"	571.425876	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+H"	1.007276
"676942"	856.635176	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+H"	1.007276
"1354746"	286.216576	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H"	1.007276
"126303"	286.216576	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+2H"	2.014552
"570122"	428.821226	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+2H"	2.014552
"1044391"	143.611926	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2H"	2.014552
"206458"	191.146809333333	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+3H"	3.021828
"646749"	286.216576	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+3H"	3.021828
"1164869"	96.0770426666667	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+3H"	3.021828
"432169"	588.452423	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+NH4"	18.033823
"797534"	873.661723	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+NH4"	18.033823
"1689495"	303.243123	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+NH4"	18.033823
"341052"	294.7298495	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+H+NH4"	19.041099
"730190"	437.3344995	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+H+NH4"	19.041099
"1491675"	152.1251995	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H+NH4"	19.041099
"400517"	593.407818	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+Na"	22.989218
"768925"	878.617118	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+Na"	22.989218
"1617388"	308.198518	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Na"	22.989218
"329004"	297.207547	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+H+Na"	23.996494
"720451"	439.812197	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+H+Na"	23.996494
"1474271"	154.602897	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H+Na"	23.996494
"1067395"	103.404356666667	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2H+Na"	25.00377
"1272117"	318.242786	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+CH3OH+H"	33.033486
"392141"	609.381758	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+K"	38.963158
"752771"	894.591058	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+K"	38.963158
"1553000"	324.172458	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+K"	38.963158
"312005"	305.194517	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+H+K"	39.970434
"706125"	447.799167	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+H+K"	39.970434
"1460430"	162.589867	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H+K"	39.970434
"249647"	612.452426	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+ACN+H"	42.033826
"1224664"	327.243126	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+ACN+H"	42.033826
"1209518"	164.125201	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+ACN+2H"	43.041102
"197042"	615.38976	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+2Na-H"	44.97116
"642068"	900.59906	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+2Na-H"	44.97116
"1141203"	330.18046	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2Na-H"	44.97116
"185220"	308.198518	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+2Na"	45.978436
"623687"	450.803168	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+2Na"	45.978436
"1119536"	165.593868	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2Na"	45.978436
"1401234"	110.731670666667	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H+2Na"	46.985712
"1435542"	332.222046	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H+HCOOH"	47.012746
"224143"	313.23154	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+3H2O+2H"	56.04448
"1517311"	346.27409	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+IsoProp+H"	61.06479
"414811"	316.185488	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+Na+K"	61.952376
"776173"	458.790138	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+Na+K"	61.952376
"1669222"	173.580838	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Na+K"	61.952376
"259024"	634.434368	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+ACN+Na"	64.015768
"1234285"	349.225068	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+ACN+Na"	64.015768
"1719526"	349.248593	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+NH4+HCOOH"	64.039293
"1190355"	118.058984666667	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+3Na"	68.967654
"1661341"	354.203988	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Na+HCOOH"	68.994688
"167110"	647.33764	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+2K-H"	76.91904
"608859"	932.54694	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+2K-H"	76.91904
"1097751"	362.12834	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2K-H"	76.91904
"156145"	324.172458	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"2M+2K"	77.926316
"593031"	466.777108	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"3M+2K"	77.926316
"1078637"	181.567808	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2K"	77.926316
"1111845"	364.142892	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2K+H"	78.933592
"1349691"	364.230507	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+DMSO+H"	79.021207
"1015667"	368.269676	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2ACN+H"	83.060376
"1533794"	369.263308	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+IsoProp+Na+H"	84.054008
"1001335"	184.638476	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+2ACN+2H"	84.067652
"1595838"	370.177928	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+K+HCOOH"	84.968628
"1424779"	400.209438	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+H+CF3COOH"	115.000138
"1157254"	205.151751	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+3ACN+2H"	125.094202
"1708991"	417.235985	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+NH4+CF3COOH"	132.026685
"1646829"	422.19138	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+Na+CF3COOH"	136.98208
"1584666"	438.16532	"C07421"	"Pentazocine"	"C19H27NO"	"285.2093"	"M+K+CF3COOH"	152.95602
"816743"	226.1317	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M"	0
"985289"	207.11331	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-H2O-H"	-19.01839
"71345"	149.747190666667	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M-3H"	-3.021828
"512000"	225.124424	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M-3H"	-3.021828
"891991"	74.3699573333333	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-3H"	-3.021828
"11296"	225.124424	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M-2H"	-2.014552
"450127"	338.190274	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M-2H"	-2.014552
"826836"	112.058574	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-2H"	-2.014552
"90107"	451.256124	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M-H"	-1.007276
"529669"	677.387824	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M-H"	-1.007276
"905280"	225.124424	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-H"	-1.007276
"57469"	468.282671	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M-2H+NH4"	16.019271
"501287"	694.414371	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M-2H+NH4"	16.019271
"872646"	242.150971	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-2H+NH4"	16.019271
"36170"	473.238066	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M-2H+Na"	20.974666
"477190"	699.369766	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M-2H+Na"	20.974666
"854629"	247.106366	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-2H+Na"	20.974666
"1623796"	247.106366	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Na-2H"	20.974666
"99596"	243.112763	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M-H+Cl"	33.962126
"545721"	356.178613	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M-H+Cl"	33.962126
"934863"	130.046913	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-H+Cl"	33.962126
"274512"	487.232802	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+Cl"	34.969402
"669121"	713.364502	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+Cl"	34.969402
"1281524"	261.101102	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Cl"	34.969402
"22988"	489.212006	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M-2H+K"	36.948606
"459267"	715.343706	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M-2H+K"	36.948606
"833174"	263.080306	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-2H+K"	36.948606
"1562744"	263.080306	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+K-2H"	36.948606
"949532"	271.129894	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-H+HCOOH"	44.998194
"365561"	497.261601	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+HCOOH-H"	44.998201
"352731"	511.277251	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+Hac-H"	59.013851
"1500468"	285.145551	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Hac-H"	59.013851
"964729"	293.111851	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-H+NaCOOH"	66.980151
"115822"	261.101102	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+2Cl"	69.938804
"555384"	374.166952	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+2Cl"	69.938804
"1028558"	148.035252	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2Cl"	69.938804
"1252509"	305.050585	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Br"	78.918885
"1312772"	307.106572	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Cl+HCOOH"	80.974872
"1329177"	329.088529	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Cl+NaCOOH"	102.956829
"920237"	339.117286	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M-H+CF3COOH"	112.985586
"1299133"	375.093964	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Cl+CF3COOH"	148.962264
"1377293"	191.119024	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H-2H2O"	-35.012676
"1387133"	209.129	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H-H2O"	-17.0027
"285725"	453.270676	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+H"	1.007276
"676689"	679.402376	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+H"	1.007276
"1356680"	227.138976	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H"	1.007276
"127385"	227.138976	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+2H"	2.014552
"569867"	340.204826	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+2H"	2.014552
"1041220"	114.073126	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2H"	2.014552
"207660"	151.761742666667	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+3H"	3.021828
"648314"	227.138976	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+3H"	3.021828
"1164247"	76.3845093333333	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+3H"	3.021828
"436650"	470.297223	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+NH4"	18.033823
"797644"	696.428923	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+NH4"	18.033823
"1692884"	244.165523	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+NH4"	18.033823
"342255"	235.6522495	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+H+NH4"	19.041099
"731393"	348.7180995	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+H+NH4"	19.041099
"1491785"	122.5863995	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H+NH4"	19.041099
"402812"	475.252618	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+Na"	22.989218
"768062"	701.384318	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+Na"	22.989218
"1614095"	249.120918	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Na"	22.989218
"327047"	238.129947	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+H+Na"	23.996494
"721169"	351.195797	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+H+Na"	23.996494
"1473650"	125.064097	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H+Na"	23.996494
"1068114"	83.7118233333333	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2H+Na"	25.00377
"1272549"	259.165186	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+CH3OH+H"	33.033486
"390428"	491.226558	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+K"	38.963158
"750327"	717.358258	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+K"	38.963158
"1552016"	265.094858	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+K"	38.963158
"312723"	246.116917	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+H+K"	39.970434
"706440"	359.182767	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+H+K"	39.970434
"1459081"	133.051067	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H+K"	39.970434
"246598"	494.297226	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+ACN+H"	42.033826
"1223435"	268.165526	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+ACN+H"	42.033826
"1207193"	134.586401	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+ACN+2H"	43.041102
"201889"	497.23456	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+2Na-H"	44.97116
"641812"	723.36626	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+2Na-H"	44.97116
"1139126"	271.10286	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2Na-H"	44.97116
"184237"	249.120918	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+2Na"	45.978436
"623068"	362.186768	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+2Na"	45.978436
"1120011"	136.055068	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2Na"	45.978436
"1401346"	91.0391373333333	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H+2Na"	46.985712
"1437839"	273.144446	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H+HCOOH"	47.012746
"225346"	254.15394	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+3H2O+2H"	56.04448
"1514504"	287.19649	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+IsoProp+H"	61.06479
"411639"	257.107888	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+Na+K"	61.952376
"772633"	370.173738	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+Na+K"	61.952376
"1667141"	144.042038	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Na+K"	61.952376
"259134"	516.279168	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+ACN+Na"	64.015768
"1232936"	290.147468	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+ACN+Na"	64.015768
"1719635"	290.170993	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+NH4+HCOOH"	64.039293
"1184260"	98.3664513333333	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+3Na"	68.967654
"1657078"	295.126388	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Na+HCOOH"	68.994688
"163940"	529.18244	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+2K-H"	76.91904
"607876"	755.31414	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+2K-H"	76.91904
"1098592"	303.05074	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2K-H"	76.91904
"155286"	265.094858	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"2M+2K"	77.926316
"595085"	378.160708	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"3M+2K"	77.926316
"1076561"	152.029008	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2K"	77.926316
"1109769"	305.065292	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2K+H"	78.933592
"1349071"	305.152907	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+DMSO+H"	79.021207
"1014684"	309.192076	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2ACN+H"	83.060376
"1532810"	310.185708	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+IsoProp+Na+H"	84.054008
"1002538"	155.099676	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+2ACN+2H"	84.067652
"1595947"	311.100328	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+K+HCOOH"	84.968628
"1424888"	341.131838	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+H+CF3COOH"	115.000138
"1158457"	175.612951	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+3ACN+2H"	125.094202
"1708008"	358.158385	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+NH4+CF3COOH"	132.026685
"1646939"	363.11378	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+Na+CF3COOH"	136.98208
"1584776"	379.08772	"C07422"	"Pentobarbital;5-Ethyl-5-(1-methylbutyl)-246(1H3H5H)-pyrimidinetrione"	"C11H18N2O3"	"226.1317"	"M+K+CF3COOH"	152.95602
"816822"	248.1137	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M"	0
"985399"	229.09531	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-H2O-H"	-19.01839
"71455"	164.401857333333	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M-3H"	-3.021828
"512110"	247.106424	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M-3H"	-3.021828
"893194"	81.6972906666667	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-3H"	-3.021828
"12863"	247.106424	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M-2H"	-2.014552
"452423"	371.163274	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M-2H"	-2.014552
"830225"	123.049574	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-2H"	-2.014552
"89123"	495.220124	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M-H"	-1.007276
"531965"	743.333824	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M-H"	-1.007276
"904297"	247.106424	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-H"	-1.007276
"52110"	512.246671	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M-2H+NH4"	16.019271
"499326"	760.360371	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M-2H+NH4"	16.019271
"871663"	264.132971	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-2H+NH4"	16.019271
"35916"	517.202066	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M-2H+Na"	20.974666
"473651"	765.315766	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M-2H+Na"	20.974666
"853642"	269.088366	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-2H+Na"	20.974666
"1625365"	269.088366	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Na-2H"	20.974666
"94843"	265.094763	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M-H+Cl"	33.962126
"545829"	389.151613	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M-H+Cl"	33.962126
"934969"	141.037913	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-H+Cl"	33.962126
"272432"	531.196802	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+Cl"	34.969402
"665950"	779.310502	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+Cl"	34.969402
"1281634"	283.083102	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Cl"	34.969402
"22003"	533.176006	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M-2H+K"	36.948606
"459376"	781.289706	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M-2H+K"	36.948606
"833289"	285.062306	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-2H+K"	36.948606
"1559574"	285.062306	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+K-2H"	36.948606
"949642"	293.111894	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-H+HCOOH"	44.998194
"363847"	541.225601	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+HCOOH-H"	44.998201
"352841"	555.241251	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+Hac-H"	59.013851
"1500578"	307.127551	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Hac-H"	59.013851
"965932"	315.093851	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-H+NaCOOH"	66.980151
"115932"	283.083102	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+2Cl"	69.938804
"556585"	407.139952	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+2Cl"	69.938804
"1033042"	159.026252	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2Cl"	69.938804
"1251526"	327.032585	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Br"	78.918885
"1312882"	329.088572	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Cl+HCOOH"	80.974872
"1330380"	351.070529	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Cl+NaCOOH"	102.956829
"918161"	361.099286	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M-H+CF3COOH"	112.985586
"1298150"	397.075964	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Cl+CF3COOH"	148.962264
"1376310"	213.101024	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H-2H2O"	-35.012676
"1389430"	231.111	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H-H2O"	-17.0027
"283405"	497.234676	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+H"	1.007276
"678257"	745.348376	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+H"	1.007276
"1355698"	249.120976	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H"	1.007276
"127493"	249.120976	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+2H"	2.014552
"569613"	373.177826	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+2H"	2.014552
"1040597"	125.064126	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2H"	2.014552
"206674"	166.416409333333	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+3H"	3.021828
"648787"	249.120976	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+3H"	3.021828
"1166911"	83.7118426666667	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+3H"	3.021828
"436032"	514.261223	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+NH4"	18.033823
"796661"	762.374923	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+NH4"	18.033823
"1690808"	266.147523	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+NH4"	18.033823
"339085"	257.6342495	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+H+NH4"	19.041099
"728223"	381.6910995	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+H+NH4"	19.041099
"1492725"	133.5773995	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H+NH4"	19.041099
"408276"	519.216618	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+Na"	22.989218
"769270"	767.330318	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+Na"	22.989218
"1617813"	271.102918	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Na"	22.989218
"329597"	260.111947	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+H+Na"	23.996494
"721766"	384.168797	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+H+Na"	23.996494
"1472667"	136.055097	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H+Na"	23.996494
"1067736"	91.0391566666667	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2H+Na"	25.00377
"1272542"	281.147186	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+CH3OH+H"	33.033486
"390538"	535.190558	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+K"	38.963158
"750437"	783.304258	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+K"	38.963158
"1552490"	287.076858	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+K"	38.963158
"314008"	268.098917	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+H+K"	39.970434
"705372"	392.155767	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+H+K"	39.970434
"1457369"	144.042067	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H+K"	39.970434
"249986"	538.261226	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+ACN+H"	42.033826
"1225288"	290.147526	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+ACN+H"	42.033826
"1205845"	145.577401	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+ACN+2H"	43.041102
"198348"	541.19856	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+2Na-H"	44.97116
"643016"	789.31226	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+2Na-H"	44.97116
"1142517"	293.08486	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2Na-H"	44.97116
"185076"	271.102918	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+2Na"	45.978436
"624271"	395.159768	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+2Na"	45.978436
"1122308"	147.046068	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2Na"	45.978436
"1399512"	98.3664706666667	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H+2Na"	46.985712
"1437949"	295.126446	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H+HCOOH"	47.012746
"222541"	276.13594	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+3H2O+2H"	56.04448
"1514614"	309.17849	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+IsoProp+H"	61.06479
"412479"	279.089888	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+Na+K"	61.952376
"770556"	403.146738	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+Na+K"	61.952376
"1666883"	155.033038	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Na+K"	61.952376
"255235"	560.243168	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+ACN+Na"	64.015768
"1230130"	312.129468	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+ACN+Na"	64.015768
"1719746"	312.152993	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+NH4+HCOOH"	64.039293
"1185099"	105.693784666667	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+3Na"	68.967654
"1657188"	317.108388	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Na+HCOOH"	68.994688
"164050"	573.14644	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+2K-H"	76.91904
"609079"	821.26014	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+2K-H"	76.91904
"1099430"	325.03274	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2K-H"	76.91904
"156133"	287.076858	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"2M+2K"	77.926316
"595316"	411.133708	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"3M+2K"	77.926316
"1074484"	163.020008	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2K"	77.926316
"1108786"	327.047292	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2K+H"	78.933592
"1348451"	327.134907	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+DMSO+H"	79.021207
"1014794"	331.174076	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2ACN+H"	83.060376
"1532921"	332.167708	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+IsoProp+Na+H"	84.054008
"1001554"	166.090676	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+2ACN+2H"	84.067652
"1596057"	333.082328	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+K+HCOOH"	84.968628
"1423905"	363.113838	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+H+CF3COOH"	115.000138
"1157474"	186.603951	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+3ACN+2H"	125.094202
"1707025"	380.140385	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+NH4+CF3COOH"	132.026685
"1647050"	385.09578	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+Na+CF3COOH"	136.98208
"1584886"	401.06972	"C07423"	"Pentobarbital sodium"	"C11H17N2O3Na"	"248.1137"	"M+K+CF3COOH"	152.95602
"815134"	278.1379	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M"	0
"988789"	259.11951	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-H2O-H"	-19.01839
"72659"	184.417990666667	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M-3H"	-3.021828
"508940"	277.130624	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M-3H"	-3.021828
"891117"	91.7053573333333	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-3H"	-3.021828
"7505"	277.130624	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M-2H"	-2.014552
"445972"	416.199574	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M-2H"	-2.014552
"822680"	138.061674	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-2H"	-2.014552
"87046"	555.268524	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M-H"	-1.007276
"527699"	833.406424	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M-H"	-1.007276
"900032"	277.130624	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-H"	-1.007276
"51127"	572.295071	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M-2H+NH4"	16.019271
"495061"	850.432971	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M-2H+NH4"	16.019271
"870677"	294.157171	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-2H+NH4"	16.019271
"33836"	577.250466	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M-2H+Na"	20.974666
"472667"	855.388366	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M-2H+Na"	20.974666
"850104"	299.112566	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-2H+Na"	20.974666
"1618781"	299.112566	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Na-2H"	20.974666
"94405"	295.118963	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M-H+Cl"	33.962126
"545939"	434.187913	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M-H+Cl"	33.962126
"931799"	156.050013	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-H+Cl"	33.962126
"272542"	591.245202	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+Cl"	34.969402
"666060"	869.383102	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+Cl"	34.969402
"1281744"	313.107302	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Cl"	34.969402
"24301"	593.224406	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M-2H+K"	36.948606
"458393"	871.362306	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M-2H+K"	36.948606
"834008"	315.086506	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-2H+K"	36.948606
"1558954"	315.086506	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+K-2H"	36.948606
"949752"	323.136094	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-H+HCOOH"	44.998194
"364687"	601.274001	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+HCOOH-H"	44.998201
"351855"	615.289651	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+Hac-H"	59.013851
"1498500"	337.151751	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Hac-H"	59.013851
"963853"	345.118051	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-H+NaCOOH"	66.980151
"116042"	313.107302	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+2Cl"	69.938804
"550984"	452.176252	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+2Cl"	69.938804
"1028778"	174.038352	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2Cl"	69.938804
"1249448"	357.056785	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Br"	78.918885
"1310805"	359.112772	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Cl+HCOOH"	80.974872
"1327210"	381.094729	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Cl+NaCOOH"	102.956829
"917177"	391.123486	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M-H+CF3COOH"	112.985586
"1298259"	427.100164	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Cl+CF3COOH"	148.962264
"1372411"	243.125224	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H-2H2O"	-35.012676
"1389540"	261.1352	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H-H2O"	-17.0027
"287407"	557.283076	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+H"	1.007276
"677276"	835.420976	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+H"	1.007276
"1354715"	279.145176	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H"	1.007276
"137445"	279.145176	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+2H"	2.014552
"568259"	418.214126	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+2H"	2.014552
"1041796"	140.076226	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2H"	2.014552
"207152"	186.432542666667	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+3H"	3.021828
"645614"	279.145176	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+3H"	3.021828
"1167021"	93.7199093333333	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+3H"	3.021828
"434682"	574.309623	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+NH4"	18.033823
"794582"	852.447523	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+NH4"	18.033823
"1688728"	296.171723	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+NH4"	18.033823
"335911"	287.6584495	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+H+NH4"	19.041099
"726509"	426.7273995	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+H+NH4"	19.041099
"1485436"	148.5894995	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H+NH4"	19.041099
"408515"	579.265018	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+Na"	22.989218
"769742"	857.402918	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+Na"	22.989218
"1618403"	301.127118	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Na"	22.989218
"329944"	290.136147	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+H+Na"	23.996494
"722606"	429.205097	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+H+Na"	23.996494
"1475329"	151.067197	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H+Na"	23.996494
"1068131"	101.047223333333	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2H+Na"	25.00377
"1272605"	311.171386	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+CH3OH+H"	33.033486
"390284"	595.238958	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+K"	38.963158
"750547"	873.376858	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+K"	38.963158
"1552600"	317.101058	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+K"	38.963158
"313428"	298.123117	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+H+K"	39.970434
"704390"	437.192067	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+H+K"	39.970434
"1458207"	159.054167	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H+K"	39.970434
"250826"	598.309626	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+ACN+H"	42.033826
"1223776"	320.171726	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+ACN+H"	42.033826
"1205226"	160.589501	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+ACN+2H"	43.041102
"197365"	601.24696	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+2Na-H"	44.97116
"642034"	879.38486	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+2Na-H"	44.97116
"1140440"	323.10906	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2Na-H"	44.97116
"184092"	301.127118	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+2Na"	45.978436
"623288"	440.196068	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+2Na"	45.978436
"1122419"	162.058168	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2Na"	45.978436
"1403756"	108.374537333333	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H+2Na"	46.985712
"1430160"	325.150646	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H+HCOOH"	47.012746
"222287"	306.16014	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+3H2O+2H"	56.04448
"1509132"	339.20269	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+IsoProp+H"	61.06479
"410032"	309.114088	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+Na+K"	61.952376
"771759"	448.183038	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+Na+K"	61.952376
"1670645"	170.045138	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Na+K"	61.952376
"256436"	620.291568	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+ACN+Na"	64.015768
"1233155"	342.153668	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+ACN+Na"	64.015768
"1716576"	342.177193	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+NH4+HCOOH"	64.039293
"1181928"	115.701851333333	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+3Na"	68.967654
"1654013"	347.132588	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Na+HCOOH"	68.994688
"161967"	633.19484	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+2K-H"	76.91904
"601524"	911.33274	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+2K-H"	76.91904
"1099782"	355.05694	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2K-H"	76.91904
"156478"	317.101058	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"2M+2K"	77.926316
"594455"	456.170008	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"3M+2K"	77.926316
"1082248"	178.032108	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2K"	77.926316
"1106710"	357.071492	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2K+H"	78.933592
"1348561"	357.159107	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+DMSO+H"	79.021207
"1015998"	361.198276	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2ACN+H"	83.060376
"1535218"	362.191908	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+IsoProp+Na+H"	84.054008
"998383"	181.102776	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+2ACN+2H"	84.067652
"1597260"	363.106528	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+K+HCOOH"	84.968628
"1422921"	393.138038	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+H+CF3COOH"	115.000138
"1158677"	201.616051	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+3ACN+2H"	125.094202
"1707135"	410.164585	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+NH4+CF3COOH"	132.026685
"1647160"	415.11998	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+Na+CF3COOH"	136.98208
"1584996"	431.09392	"C07424"	"Pentoxifylline"	"C13H18N4O3"	"278.1379"	"M+K+CF3COOH"	152.95602
"816340"	314.1817	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M"	0
"985621"	295.16331	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-H2O-H"	-19.01839
"71676"	208.447190666667	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M-3H"	-3.021828
"509050"	313.174424	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M-3H"	-3.021828
"887946"	103.719957333333	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-3H"	-3.021828
"9801"	313.174424	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M-2H"	-2.014552
"447173"	470.265274	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M-2H"	-2.014552
"823884"	156.083574	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-2H"	-2.014552
"82782"	627.356124	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M-H"	-1.007276
"526717"	941.537824	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M-H"	-1.007276
"903424"	313.174424	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-H"	-1.007276
"51237"	644.382671	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M-2H+NH4"	16.019271
"494078"	958.564371	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M-2H+NH4"	16.019271
"872977"	330.200971	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-2H+NH4"	16.019271
"36135"	649.338066	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M-2H+Na"	20.974666
"474964"	963.519766	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M-2H+Na"	20.974666
"850577"	335.156366	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-2H+Na"	20.974666
"1619019"	335.156366	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Na-2H"	20.974666
"94572"	331.162763	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M-H+Cl"	33.962126
"544956"	488.253613	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M-H+Cl"	33.962126
"930816"	174.071913	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-H+Cl"	33.962126
"270466"	663.332802	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+Cl"	34.969402
"667263"	977.514502	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+Cl"	34.969402
"1281856"	349.151102	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Cl"	34.969402
"24411"	665.312006	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M-2H+K"	36.948606
"457410"	979.493706	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M-2H+K"	36.948606
"835210"	351.130306	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-2H+K"	36.948606
"1559064"	351.130306	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+K-2H"	36.948606
"943665"	359.179894	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-H+HCOOH"	44.998194
"365890"	673.361601	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+HCOOH-H"	44.998201
"350872"	687.377251	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+Hac-H"	59.013851
"1498610"	373.195551	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Hac-H"	59.013851
"961412"	381.161851	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-H+NaCOOH"	66.980151
"114330"	349.151102	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+2Cl"	69.938804
"550971"	506.241952	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+2Cl"	69.938804
"1029977"	192.060252	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2Cl"	69.938804
"1250652"	393.100585	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Br"	78.918885
"1310915"	395.156572	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Cl+HCOOH"	80.974872
"1324040"	417.138529	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Cl+NaCOOH"	102.956829
"921660"	427.167286	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M-H+CF3COOH"	112.985586
"1299461"	463.143964	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Cl+CF3COOH"	148.962264
"1378715"	279.169024	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H-2H2O"	-35.012676
"1389654"	297.179	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H-H2O"	-17.0027
"285330"	629.370676	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+H"	1.007276
"677387"	943.552376	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+H"	1.007276
"1358106"	315.188976	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H"	1.007276
"128443"	315.188976	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+2H"	2.014552
"576022"	472.279826	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+2H"	2.014552
"1041176"	158.098126	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2H"	2.014552
"206897"	210.461742666667	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+3H"	3.021828
"646817"	315.188976	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+3H"	3.021828
"1166767"	105.734509333333	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+3H"	3.021828
"426042"	646.397223	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+NH4"	18.033823
"787765"	960.578923	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+NH4"	18.033823
"1689932"	332.215523	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+NH4"	18.033823
"334928"	323.7022495	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+H+NH4"	19.041099
"725525"	480.7930995	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+H+NH4"	19.041099
"1482267"	166.6113995	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H+NH4"	19.041099
"407640"	651.352618	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+Na"	22.989218
"769610"	965.534318	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+Na"	22.989218
"1618073"	337.170918	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Na"	22.989218
"329568"	326.179947	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+H+Na"	23.996494
"722788"	483.270797	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+H+Na"	23.996494
"1476536"	169.089097	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H+Na"	23.996494
"1068457"	113.061823333333	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2H+Na"	25.00377
"1272522"	347.215186	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+CH3OH+H"	33.033486
"390759"	667.326558	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+K"	38.963158
"748836"	981.508258	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+K"	38.963158
"1551254"	353.144858	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+K"	38.963158
"314150"	334.166917	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+H+K"	39.970434
"706932"	491.257767	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+H+K"	39.970434
"1459049"	177.076067	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H+K"	39.970434
"250572"	670.397226	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+ACN+H"	42.033826
"1223885"	356.215526	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+ACN+H"	42.033826
"1205336"	178.611401	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+ACN+2H"	43.041102
"196383"	673.33456	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+2Na-H"	44.97116
"640320"	987.51626	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+2Na-H"	44.97116
"1142373"	359.15286	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2Na-H"	44.97116
"185660"	337.170918	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+2Na"	45.978436
"625586"	494.261768	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+2Na"	45.978436
"1119251"	180.080068	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2Na"	45.978436
"1402776"	120.389137333333	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H+2Na"	46.985712
"1437079"	361.194446	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H+HCOOH"	47.012746
"230782"	342.20394	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+3H2O+2H"	56.04448
"1510826"	375.24649	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+IsoProp+H"	61.06479
"411241"	345.157888	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+Na+K"	61.952376
"771140"	502.248738	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+Na+K"	61.952376
"1669661"	188.067038	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Na+K"	61.952376
"256182"	692.379168	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+ACN+Na"	64.015768
"1233265"	378.197468	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+ACN+Na"	64.015768
"1716686"	378.220993	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+NH4+HCOOH"	64.039293
"1180945"	127.716451333333	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+3Na"	68.967654
"1654487"	383.176388	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Na+HCOOH"	68.994688
"162077"	705.28244	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+2K-H"	76.91904
"600541"	1019.46414	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+2K-H"	76.91904
"1099040"	391.10074	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2K-H"	76.91904
"156710"	353.144858	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"2M+2K"	77.926316
"589099"	510.235708	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"3M+2K"	77.926316
"1075799"	196.054008	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2K"	77.926316
"1107914"	393.115292	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2K+H"	78.933592
"1351190"	393.202907	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+DMSO+H"	79.021207
"1016108"	397.242076	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2ACN+H"	83.060376
"1533140"	398.235708	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+IsoProp+Na+H"	84.054008
"1000681"	199.124676	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+2ACN+2H"	84.067652
"1596277"	399.150328	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+K+HCOOH"	84.968628
"1420845"	429.181838	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+H+CF3COOH"	115.000138
"1159880"	219.637951	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+3ACN+2H"	125.094202
"1708338"	446.208385	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+NH4+CF3COOH"	132.026685
"1648363"	451.16378	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+Na+CF3COOH"	136.98208
"1585106"	467.13772	"C07425"	"Pergolide"	"C19H26N2S"	"314.1817"	"M+K+CF3COOH"	152.95602
"815473"	403.1485	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M"	0
"987555"	384.13011	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-H2O-H"	-19.01839
"78105"	267.758390666667	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M-3H"	-3.021828
"517180"	402.141224	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M-3H"	-3.021828
"889150"	133.375557333333	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-3H"	-3.021828
"9911"	402.141224	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M-2H"	-2.014552
"447283"	603.715474	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M-2H"	-2.014552
"823994"	200.566974	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-2H"	-2.014552
"82892"	805.289724	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M-H"	-1.007276
"525734"	1208.438224	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M-H"	-1.007276
"903534"	402.141224	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-H"	-1.007276
"52440"	822.316271	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M-2H+NH4"	16.019271
"494188"	1225.464771	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M-2H+NH4"	16.019271
"873087"	419.167771	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-2H+NH4"	16.019271
"35881"	827.271666	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M-2H+Na"	20.974666
"474710"	1230.420166	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M-2H+Na"	20.974666
"850688"	424.123166	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-2H+Na"	20.974666
"1619858"	424.123166	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Na-2H"	20.974666
"95658"	420.129563	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M-H+Cl"	33.962126
"541786"	621.703813	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M-H+Cl"	33.962126
"930926"	218.555313	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-H+Cl"	33.962126
"268510"	841.266402	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+Cl"	34.969402
"667373"	1244.414902	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+Cl"	34.969402
"1279778"	438.117902	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Cl"	34.969402
"22334"	843.245606	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M-2H+K"	36.948606
"457519"	1246.394106	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M-2H+K"	36.948606
"835319"	440.097106	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-2H+K"	36.948606
"1557715"	440.097106	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+K-2H"	36.948606
"944504"	448.146694	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-H+HCOOH"	44.998194
"362719"	851.295201	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+HCOOH-H"	44.998201
"347700"	865.310851	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+Hac-H"	59.013851
"1497625"	462.162351	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Hac-H"	59.013851
"961156"	470.128651	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-H+NaCOOH"	66.980151
"114075"	438.117902	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+2Cl"	69.938804
"551444"	639.692152	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+2Cl"	69.938804
"1024620"	236.543652	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2Cl"	69.938804
"1243108"	482.067385	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Br"	78.918885
"1307744"	484.123372	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Cl+HCOOH"	80.974872
"1324150"	506.105329	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Cl+NaCOOH"	102.956829
"921770"	516.134086	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M-H+CF3COOH"	112.985586
"1298478"	552.110764	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Cl+CF3COOH"	148.962264
"1378825"	368.135824	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H-2H2O"	-35.012676
"1386484"	386.1458	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H-H2O"	-17.0027
"286166"	807.304276	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+H"	1.007276
"680775"	1210.452776	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+H"	1.007276
"1357122"	404.155776	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H"	1.007276
"127094"	404.155776	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+2H"	2.014552
"576133"	605.730026	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+2H"	2.014552
"1040193"	202.581526	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2H"	2.014552
"206643"	269.772942666667	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+3H"	3.021828
"645224"	404.155776	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+3H"	3.021828
"1166512"	135.390109333333	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+3H"	3.021828
"427245"	824.330823	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+NH4"	18.033823
"788604"	1227.479323	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+NH4"	18.033823
"1688949"	421.182323	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+NH4"	18.033823
"336131"	412.6690495	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+H+NH4"	19.041099
"726728"	614.2432995	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+H+NH4"	19.041099
"1480191"	211.0947995	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H+NH4"	19.041099
"407506"	829.286218	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+Na"	22.989218
"768011"	1232.434718	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+Na"	22.989218
"1617820"	426.137718	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Na"	22.989218
"328215"	415.146747	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+H+Na"	23.996494
"722466"	616.720997	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+H+Na"	23.996494
"1476881"	213.572497	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H+Na"	23.996494
"1067344"	142.717423333333	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2H+Na"	25.00377
"1271449"	436.181986	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+CH3OH+H"	33.033486
"388683"	845.260158	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+K"	38.963158
"746394"	1248.408658	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+K"	38.963158
"1549540"	442.111658	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+K"	38.963158
"312554"	423.133717	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+H+K"	39.970434
"706314"	624.707967	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+H+K"	39.970434
"1459523"	221.559467	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H+K"	39.970434
"248498"	848.330826	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+ACN+H"	42.033826
"1224116"	445.182326	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+ACN+H"	42.033826
"1205446"	223.094801	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+ACN+2H"	43.041102
"196493"	851.26816	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+2Na-H"	44.97116
"642253"	1254.41666	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+2Na-H"	44.97116
"1143214"	448.11966	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2Na-H"	44.97116
"185770"	426.137718	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+2Na"	45.978436
"625333"	627.711968	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+2Na"	45.978436
"1128109"	224.563468	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2Na"	45.978436
"1402886"	150.044737333333	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H+2Na"	46.985712
"1436096"	450.161246	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H+HCOOH"	47.012746
"229069"	431.17074	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+3H2O+2H"	56.04448
"1510936"	464.21329	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+IsoProp+H"	61.06479
"411352"	434.124688	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+Na+K"	61.952376
"770887"	635.698938	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+Na+K"	61.952376
"1666976"	232.550438	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Na+K"	61.952376
"254102"	870.312768	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+ACN+Na"	64.015768
"1227907"	467.164268	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+ACN+Na"	64.015768
"1714610"	467.187793	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+NH4+HCOOH"	64.039293
"1179598"	157.372051333333	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+3Na"	68.967654
"1655326"	472.143188	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Na+HCOOH"	68.994688
"161094"	883.21604	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+2K-H"	76.91904
"599558"	1286.36454	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+2K-H"	76.91904
"1099398"	480.06754	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2K-H"	76.91904
"155726"	442.111658	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"2M+2K"	77.926316
"589210"	643.685908	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"3M+2K"	77.926316
"1077003"	240.537408	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2K"	77.926316
"1109120"	482.082092	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2K+H"	78.933592
"1345504"	482.169707	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+DMSO+H"	79.021207
"1017312"	486.208876	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2ACN+H"	83.060376
"1528878"	487.202508	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+IsoProp+Na+H"	84.054008
"996419"	243.608076	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+2ACN+2H"	84.067652
"1600763"	488.117128	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+K+HCOOH"	84.968628
"1428246"	518.148638	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+H+CF3COOH"	115.000138
"1159990"	264.121351	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+3ACN+2H"	125.094202
"1708448"	535.175185	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+NH4+CF3COOH"	132.026685
"1648473"	540.13058	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+Na+CF3COOH"	136.98208
"1585216"	556.10452	"C07427"	"Perphenazine;4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol"	"C21H26ClN3OS"	"403.1485"	"M+K+CF3COOH"	152.95602
"815583"	178.0742	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M"	0
"989116"	159.05581	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-H2O-H"	-19.01839
"75172"	117.708857333333	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M-3H"	-3.021828
"516921"	177.066924	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M-3H"	-3.021828
"890350"	58.3507906666667	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-3H"	-3.021828
"11111"	177.066924	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M-2H"	-2.014552
"448486"	266.104024	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M-2H"	-2.014552
"828475"	88.029824	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-2H"	-2.014552
"86282"	355.141124	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M-H"	-1.007276
"531312"	533.215324	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M-H"	-1.007276
"909114"	177.066924	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-H"	-1.007276
"56927"	372.167671	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M-2H+NH4"	16.019271
"495391"	550.241871	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M-2H+NH4"	16.019271
"875384"	194.093471	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-2H+NH4"	16.019271
"35629"	377.123066	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M-2H+Na"	20.974666
"475186"	555.197266	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M-2H+Na"	20.974666
"850432"	199.048866	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-2H+Na"	20.974666
"1620329"	199.048866	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Na-2H"	20.974666
"95529"	195.055263	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M-H+Cl"	33.962126
"545177"	284.092363	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M-H+Cl"	33.962126
"936504"	106.018163	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-H+Cl"	33.962126
"269591"	391.117802	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+Cl"	34.969402
"667483"	569.192002	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+Cl"	34.969402
"1285357"	213.043602	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Cl"	34.969402
"24631"	393.097006	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M-2H+K"	36.948606
"457994"	571.171206	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M-2H+K"	36.948606
"833728"	215.022806	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-2H+K"	36.948606
"1558916"	215.022806	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+K-2H"	36.948606
"945706"	223.072394	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-H+HCOOH"	44.998194
"362828"	401.146601	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+HCOOH-H"	44.998201
"352185"	415.162251	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+Hac-H"	59.013851
"1497369"	237.088051	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Hac-H"	59.013851
"962358"	245.054351	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-H+NaCOOH"	66.980151
"114185"	213.043602	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+2Cl"	69.938804
"551920"	302.080702	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+2Cl"	69.938804
"1023998"	124.006502	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2Cl"	69.938804
"1243577"	256.993085	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Br"	78.918885
"1305057"	259.049072	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Cl+HCOOH"	80.974872
"1324624"	281.031029	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Cl+NaCOOH"	102.956829
"919692"	291.059786	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M-H+CF3COOH"	112.985586
"1294578"	327.036464	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Cl+CF3COOH"	148.962264
"1373468"	143.061524	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H-2H2O"	-35.012676
"1385135"	161.0715	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H-H2O"	-17.0027
"284087"	357.155676	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+H"	1.007276
"677239"	535.229876	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+H"	1.007276
"1353221"	179.081476	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H"	1.007276
"126837"	179.081476	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+2H"	2.014552
"569316"	268.118576	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+2H"	2.014552
"1039209"	90.044376	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2H"	2.014552
"206387"	119.723409333333	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+3H"	3.021828
"645945"	179.081476	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+3H"	3.021828
"1163092"	60.3653426666667	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+3H"	3.021828
"426260"	374.182223	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+NH4"	18.033823
"787006"	552.256423	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+NH4"	18.033823
"1690152"	196.108023	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+NH4"	18.033823
"337334"	187.5947495	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+H+NH4"	19.041099
"725742"	276.6318495	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+H+NH4"	19.041099
"1484673"	98.5576495	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H+NH4"	19.041099
"407613"	379.137618	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+Na"	22.989218
"768606"	557.211818	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+Na"	22.989218
"1617854"	201.063418	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Na"	22.989218
"328690"	190.072447	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+H+Na"	23.996494
"721856"	279.109547	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+H+Na"	23.996494
"1475798"	101.035347	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H+Na"	23.996494
"1067698"	67.6926566666667	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2H+Na"	25.00377
"1272338"	211.107686	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+CH3OH+H"	33.033486
"392074"	395.111558	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+K"	38.963158
"752702"	573.185758	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+K"	38.963158
"1549650"	217.037358	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+K"	38.963158
"313274"	198.059417	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+H+K"	39.970434
"705818"	287.096517	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+H+K"	39.970434
"1459998"	109.022317	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H+K"	39.970434
"249700"	398.182226	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+ACN+H"	42.033826
"1224717"	220.108026	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+ACN+H"	42.033826
"1208716"	110.557651	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+ACN+2H"	43.041102
"201707"	401.11956	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+2Na-H"	44.97116
"639447"	579.19376	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+2Na-H"	44.97116
"1144415"	223.04536	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2Na-H"	44.97116
"186367"	201.063418	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+2Na"	45.978436
"624712"	290.100518	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+2Na"	45.978436
"1128586"	112.026318	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2Na"	45.978436
"1409558"	75.0199706666667	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H+2Na"	46.985712
"1436207"	225.086946	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H+HCOOH"	47.012746
"228087"	206.09644	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+3H2O+2H"	56.04448
"1512869"	239.13899	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+IsoProp+H"	61.06479
"415838"	209.050388	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+Na+K"	61.952376
"771727"	298.087488	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+Na+K"	61.952376
"1668058"	120.013288	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Na+K"	61.952376
"255305"	420.164168	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+ACN+Na"	64.015768
"1229110"	242.089968	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+ACN+Na"	64.015768
"1714720"	242.113493	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+NH4+HCOOH"	64.039293
"1178774"	82.3472846666667	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+3Na"	68.967654
"1656528"	247.068888	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Na+HCOOH"	68.994688
"161204"	433.06744	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+2K-H"	76.91904
"600761"	611.14164	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+2K-H"	76.91904
"1099260"	254.99324	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2K-H"	76.91904
"156323"	217.037358	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"2M+2K"	77.926316
"587133"	306.074458	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"3M+2K"	77.926316
"1073833"	128.000258	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2K"	77.926316
"1111417"	257.007792	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2K+H"	78.933592
"1342334"	257.095407	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+DMSO+H"	79.021207
"1011956"	261.134576	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2ACN+H"	83.060376
"1530083"	262.128208	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+IsoProp+Na+H"	84.054008
"999811"	131.070926	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+2ACN+2H"	84.067652
"1597595"	263.042828	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+K+HCOOH"	84.968628
"1422161"	293.074338	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+H+CF3COOH"	115.000138
"1157914"	151.584201	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+3ACN+2H"	125.094202
"1708558"	310.100885	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+NH4+CF3COOH"	132.026685
"1645301"	315.05628	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+Na+CF3COOH"	136.98208
"1585326"	331.03022	"C07428"	"Phenacemide"	"C9H10N2O2"	"178.0742"	"M+K+CF3COOH"	152.95602
"805852"	213.1014	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M"	0
"975373"	194.08301	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-H2O-H"	-19.01839
"65439"	141.060324	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M-3H"	-3.021828
"516303"	212.094124	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M-3H"	-3.021828
"890460"	70.026524	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-3H"	-3.021828
"11221"	212.094124	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M-2H"	-2.014552
"448596"	318.644824	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M-2H"	-2.014552
"827492"	105.543424	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-2H"	-2.014552
"86392"	425.195524	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M-H"	-1.007276
"532395"	638.296924	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M-H"	-1.007276
"909103"	212.094124	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-H"	-1.007276
"59224"	442.222071	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M-2H+NH4"	16.019271
"496594"	655.323471	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M-2H+NH4"	16.019271
"877680"	229.120671	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-2H+NH4"	16.019271
"35739"	447.177466	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M-2H+Na"	20.974666
"476756"	660.278866	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M-2H+Na"	20.974666
"852370"	234.076066	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-2H+Na"	20.974666
"1621541"	234.076066	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Na-2H"	20.974666
"96246"	230.082463	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M-H+Cl"	33.962126
"545287"	336.633163	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M-H+Cl"	33.962126
"938802"	123.531763	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-H+Cl"	33.962126
"274077"	461.172202	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+Cl"	34.969402
"665406"	674.273602	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+Cl"	34.969402
"1285832"	248.070802	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Cl"	34.969402
"24741"	463.151406	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M-2H+K"	36.948606
"458468"	676.252806	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M-2H+K"	36.948606
"835541"	250.050006	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-2H+K"	36.948606
"1558300"	250.050006	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+K-2H"	36.948606
"946181"	258.099594	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-H+HCOOH"	44.998194
"362696"	471.201001	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+HCOOH-H"	44.998201
"354482"	485.216651	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+Hac-H"	59.013851
"1498210"	272.115251	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Hac-H"	59.013851
"964294"	280.081551	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-H+NaCOOH"	66.980151
"116482"	248.070802	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+2Cl"	69.938804
"552031"	354.621502	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+2Cl"	69.938804
"1025934"	141.520102	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2Cl"	69.938804
"1246607"	292.020285	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Br"	78.918885
"1306870"	294.076272	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Cl+HCOOH"	80.974872
"1327650"	316.058229	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Cl+NaCOOH"	102.956829
"916886"	326.086986	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M-H+CF3COOH"	112.985586
"1299791"	362.063664	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Cl+CF3COOH"	148.962264
"1376859"	178.088724	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H-2H2O"	-35.012676
"1387432"	196.0987	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H-H2O"	-17.0027
"290760"	427.210076	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+H"	1.007276
"687555"	640.311476	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+H"	1.007276
"1357343"	214.108676	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H"	1.007276
"128773"	214.108676	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+2H"	2.014552
"576353"	320.659376	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+2H"	2.014552
"1040780"	107.557976	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2H"	2.014552
"208684"	143.074876	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+3H"	3.021828
"649338"	214.108676	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+3H"	3.021828
"1168189"	72.041076	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+3H"	3.021828
"428559"	444.236623	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+NH4"	18.033823
"787366"	657.338023	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+NH4"	18.033823
"1691355"	231.135223	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+NH4"	18.033823
"338537"	222.6219495	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+H+NH4"	19.041099
"730958"	329.1726495	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+H+NH4"	19.041099
"1483688"	116.0712495	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H+NH4"	19.041099
"405656"	449.192018	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+Na"	22.989218
"765557"	662.293418	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+Na"	22.989218
"1618199"	236.090618	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Na"	22.989218
"328916"	225.099647	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+H+Na"	23.996494
"722720"	331.650347	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+H+Na"	23.996494
"1476383"	118.548947	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H+Na"	23.996494
"1066832"	79.36839	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2H+Na"	25.00377
"1271790"	246.134886	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+CH3OH+H"	33.033486
"392184"	465.165958	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+K"	38.963158
"750988"	678.267358	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+K"	38.963158
"1547573"	252.064558	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+K"	38.963158
"313137"	233.086617	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+H+K"	39.970434
"704466"	339.637317	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+H+K"	39.970434
"1459743"	126.535917	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H+K"	39.970434
"249445"	468.236626	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+ACN+H"	42.033826
"1222151"	255.135226	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+ACN+H"	42.033826
"1209272"	128.071251	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+ACN+2H"	43.041102
"204007"	471.17396	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+2Na-H"	44.97116
"638463"	684.27536	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+2Na-H"	44.97116
"1140880"	258.07256	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2Na-H"	44.97116
"183074"	236.090618	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+2Na"	45.978436
"619354"	342.641318	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+2Na"	45.978436
"1129058"	129.539918	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2Na"	45.978436
"1402013"	86.695704	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H+2Na"	46.985712
"1433035"	260.114146	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H+HCOOH"	47.012746
"223092"	241.12364	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+3H2O+2H"	56.04448
"1510424"	274.16619	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+IsoProp+H"	61.06479
"410475"	244.077588	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+Na+K"	61.952376
"773658"	350.628288	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+Na+K"	61.952376
"1671081"	137.526888	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Na+K"	61.952376
"255413"	490.218568	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+ACN+Na"	64.015768
"1230312"	277.117168	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+ACN+Na"	64.015768
"1715193"	277.140693	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+NH4+HCOOH"	64.039293
"1180181"	94.023018	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+3Na"	68.967654
"1654452"	282.096088	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Na+HCOOH"	68.994688
"163861"	503.12184	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+2K-H"	76.91904
"601963"	716.22324	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+2K-H"	76.91904
"1096331"	290.02044	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2K-H"	76.91904
"153148"	252.064558	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"2M+2K"	77.926316
"593802"	358.615258	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"3M+2K"	77.926316
"1081233"	145.513858	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2K"	77.926316
"1108248"	292.034992	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2K+H"	78.933592
"1343540"	292.122607	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+DMSO+H"	79.021207
"1015350"	296.161776	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2ACN+H"	83.060376
"1535660"	297.155408	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+IsoProp+Na+H"	84.054008
"999921"	148.584526	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+2ACN+2H"	84.067652
"1595518"	298.070028	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+K+HCOOH"	84.968628
"1422272"	328.101538	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+H+CF3COOH"	115.000138
"1159118"	169.097801	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+3ACN+2H"	125.094202
"1706481"	345.128085	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+NH4+CF3COOH"	132.026685
"1638851"	350.08348	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+Na+CF3COOH"	136.98208
"1582156"	366.05742	"C07429"	"Phenazopyridine;3-(Phenylazo)-26-pyridinediamine"	"C11H11N5"	"213.1014"	"M+K+CF3COOH"	152.95602
"802682"	136.1	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M"	0
"974421"	117.08161	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-H2O-H"	-19.01839
"63400"	89.7260573333333	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M-3H"	-3.021828
"510580"	135.092724	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M-3H"	-3.021828
"880233"	44.3593906666667	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-3H"	-3.021828
"389"	135.092724	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M-2H"	-2.014552
"443235"	203.142724	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M-2H"	-2.014552
"819579"	67.042724	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-2H"	-2.014552
"85405"	271.192724	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M-H"	-1.007276
"530438"	407.292724	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M-H"	-1.007276
"907146"	135.092724	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-H"	-1.007276
"60427"	288.219271	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M-2H+NH4"	16.019271
"498893"	424.319271	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M-2H+NH4"	16.019271
"876698"	152.119271	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-2H+NH4"	16.019271
"35848"	293.174666	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M-2H+Na"	20.974666
"478689"	429.274666	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M-2H+Na"	20.974666
"852481"	157.074666	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-2H+Na"	20.974666
"1620554"	157.074666	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Na-2H"	20.974666
"96357"	153.081063	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M-H+Cl"	33.962126
"545397"	221.131063	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M-H+Cl"	33.962126
"934536"	85.031063	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-H+Cl"	33.962126
"272364"	307.169402	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+Cl"	34.969402
"664423"	443.269402	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+Cl"	34.969402
"1283390"	171.069402	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Cl"	34.969402
"22665"	309.148606	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M-2H+K"	36.948606
"456513"	445.248606	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M-2H+K"	36.948606
"833829"	173.048606	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-2H+K"	36.948606
"1558410"	173.048606	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+K-2H"	36.948606
"947021"	181.098194	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-H+HCOOH"	44.998194
"363779"	317.198201	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+HCOOH-H"	44.998201
"350218"	331.213851	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+Hac-H"	59.013851
"1496860"	195.113851	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Hac-H"	59.013851
"964769"	203.080151	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-H+NaCOOH"	66.980151
"110875"	171.069402	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+2Cl"	69.938804
"552867"	239.119402	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+2Cl"	69.938804
"1025314"	103.019402	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2Cl"	69.938804
"1244531"	215.018885	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Br"	78.918885
"1304545"	217.074872	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Cl+HCOOH"	80.974872
"1332135"	239.056829	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Cl+NaCOOH"	102.956829
"919912"	249.085586	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M-H+CF3COOH"	112.985586
"1297717"	285.062264	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Cl+CF3COOH"	148.962264
"1373689"	101.087324	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H-2H2O"	-35.012676
"1390095"	119.0973	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H-H2O"	-17.0027
"287955"	273.207276	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+H"	1.007276
"681107"	409.307276	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+H"	1.007276
"1354538"	137.107276	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H"	1.007276
"128884"	137.107276	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+2H"	2.014552
"570996"	205.157276	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+2H"	2.014552
"1038702"	69.057276	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2H"	2.014552
"206240"	91.7406093333333	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+3H"	3.021828
"646894"	137.107276	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+3H"	3.021828
"1164653"	46.3739426666667	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+3H"	3.021828
"424779"	290.233823	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+NH4"	18.033823
"785934"	426.333823	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+NH4"	18.033823
"1684902"	154.133823	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+NH4"	18.033823
"330625"	145.6205495	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+H+NH4"	19.041099
"723207"	213.6705495	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+H+NH4"	19.041099
"1483066"	77.5705495	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H+NH4"	19.041099
"406859"	295.189218	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+Na"	22.989218
"760198"	431.289218	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+Na"	22.989218
"1617046"	159.089218	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Na"	22.989218
"327082"	148.098247	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+H+Na"	23.996494
"722058"	216.148247	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+H+Na"	23.996494
"1476609"	80.048247	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H+Na"	23.996494
"1068034"	53.7012566666667	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2H+Na"	25.00377
"1272628"	169.133486	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+CH3OH+H"	33.033486
"391196"	311.163158	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+K"	38.963158
"747817"	447.263158	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+K"	38.963158
"1547683"	175.063158	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+K"	38.963158
"313611"	156.085217	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+H+K"	39.970434
"703845"	224.135217	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+H+K"	39.970434
"1455477"	88.035217	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H+K"	39.970434
"249552"	314.233826	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+ACN+H"	42.033826
"1222257"	178.133826	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+ACN+H"	42.033826
"1203952"	89.570551	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+ACN+2H"	43.041102
"197914"	317.17116	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+2Na-H"	44.97116
"637480"	453.27116	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+2Na-H"	44.97116
"1140989"	181.07116	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2Na-H"	44.97116
"183184"	159.089218	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+2Na"	45.978436
"622744"	227.139218	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+2Na"	45.978436
"1128439"	91.039218	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2Na"	45.978436
"1402123"	61.0285706666667	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H+2Na"	46.985712
"1430956"	183.112746	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H+HCOOH"	47.012746
"226119"	164.12224	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+3H2O+2H"	56.04448
"1511264"	197.16479	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+IsoProp+H"	61.06479
"411679"	167.076188	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+Na+K"	61.952376
"773768"	235.126188	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+Na+K"	61.952376
"1670098"	99.026188	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Na+K"	61.952376
"252364"	336.215768	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+ACN+Na"	64.015768
"1230422"	200.115768	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+ACN+Na"	64.015768
"1717121"	200.139293	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+NH4+HCOOH"	64.039293
"1180287"	68.3558846666667	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+3Na"	68.967654
"1653461"	205.094688	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Na+HCOOH"	68.994688
"157763"	349.11904	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+2K-H"	76.91904
"597160"	485.21904	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+2K-H"	76.91904
"1096441"	213.01904	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2K-H"	76.91904
"153258"	175.063158	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"2M+2K"	77.926316
"593913"	243.113158	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"3M+2K"	77.926316
"1079520"	107.013158	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2K"	77.926316
"1108357"	215.033592	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2K+H"	78.933592
"1345835"	215.121207	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+DMSO+H"	79.021207
"1016553"	219.160376	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2ACN+H"	83.060376
"1532490"	220.154008	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+IsoProp+Na+H"	84.054008
"997844"	110.083826	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+2ACN+2H"	84.067652
"1593441"	221.068628	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+K+HCOOH"	84.968628
"1424570"	251.100138	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+H+CF3COOH"	115.000138
"1159228"	130.597101	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+3ACN+2H"	125.094202
"1706591"	268.126685	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+NH4+CF3COOH"	132.026685
"1638961"	273.08208	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+Na+CF3COOH"	136.98208
"1582266"	289.05602	"C07430"	"Phenelzine"	"C8H12N2"	"136.1"	"M+K+CF3COOH"	152.95602
"803885"	234.0674	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M"	0
"974497"	215.04901	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-H2O-H"	-19.01839
"62934"	155.037657333333	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M-3H"	-3.021828
"511784"	233.060124	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M-3H"	-3.021828
"883024"	77.0151906666667	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-3H"	-3.021828
"380"	233.060124	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M-2H"	-2.014552
"442252"	350.093824	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M-2H"	-2.014552
"818596"	116.026424	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-2H"	-2.014552
"83328"	467.127524	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M-H"	-1.007276
"521796"	701.194924	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M-H"	-1.007276
"908836"	233.060124	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-H"	-1.007276
"60419"	484.154071	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M-2H+NH4"	16.019271
"499734"	718.221471	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M-2H+NH4"	16.019271
"875715"	250.086671	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-2H+NH4"	16.019271
"42522"	489.109466	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M-2H+Na"	20.974666
"482082"	723.176866	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M-2H+Na"	20.974666
"859884"	255.042066	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-2H+Na"	20.974666
"1621762"	255.042066	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Na-2H"	20.974666
"96467"	251.048463	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M-H+Cl"	33.962126
"549888"	368.082163	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M-H+Cl"	33.962126
"935742"	134.014763	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-H+Cl"	33.962126
"273205"	503.104202	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+Cl"	34.969402
"668907"	737.171602	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+Cl"	34.969402
"1284597"	269.036802	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Cl"	34.969402
"27151"	505.083406	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M-2H+K"	36.948606
"467804"	739.150806	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M-2H+K"	36.948606
"842325"	271.016006	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-2H+K"	36.948606
"1559251"	271.016006	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+K-2H"	36.948606
"946039"	279.065594	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-H+HCOOH"	44.998194
"367537"	513.133001	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+HCOOH-H"	44.998201
"350329"	527.148651	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+Hac-H"	59.013851
"1496975"	293.081251	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Hac-H"	59.013851
"961232"	301.047551	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-H+NaCOOH"	66.980151
"110867"	269.036802	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+2Cl"	69.938804
"550305"	386.070502	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+2Cl"	69.938804
"1021532"	152.003102	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2Cl"	69.938804
"1241476"	312.986285	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Br"	78.918885
"1314748"	315.042272	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Cl+HCOOH"	80.974872
"1324954"	337.024229	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Cl+NaCOOH"	102.956829
"920026"	347.052986	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M-H+CF3COOH"	112.985586
"1296733"	383.029664	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Cl+CF3COOH"	148.962264
"1373801"	199.054724	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H-2H2O"	-35.012676
"1389112"	217.0647	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H-H2O"	-17.0027
"287702"	469.142076	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+H"	1.007276
"678663"	703.209476	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+H"	1.007276
"1353916"	235.074676	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H"	1.007276
"128994"	235.074676	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+2H"	2.014552
"568553"	352.108376	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+2H"	2.014552
"1049382"	118.040976	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2H"	2.014552
"205983"	157.052209333333	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+3H"	3.021828
"645912"	235.074676	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+3H"	3.021828
"1164399"	79.0297426666667	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+3H"	3.021828
"425499"	486.168623	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+NH4"	18.033823
"789774"	720.236023	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+NH4"	18.033823
"1683919"	252.101223	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+NH4"	18.033823
"334384"	243.5879495	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+H+NH4"	19.041099
"724982"	360.6216495	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+H+NH4"	19.041099
"1483911"	126.5542495	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H+NH4"	19.041099
"408361"	491.124018	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+Na"	22.989218
"768936"	725.191418	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+Na"	22.989218
"1617885"	257.056618	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Na"	22.989218
"329841"	246.065647	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+H+Na"	23.996494
"722623"	363.099347	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+H+Na"	23.996494
"1475997"	129.031947	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H+Na"	23.996494
"1067298"	86.3570566666667	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2H+Na"	25.00377
"1272335"	267.100886	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+CH3OH+H"	33.033486
"392613"	507.097958	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+K"	38.963158
"752557"	741.165358	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+K"	38.963158
"1555257"	273.030558	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+K"	38.963158
"314096"	254.052617	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+H+K"	39.970434
"706638"	371.086317	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+H+K"	39.970434
"1461257"	137.018917	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H+K"	39.970434
"251247"	510.168626	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+ACN+H"	42.033826
"1224555"	276.101226	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+ACN+H"	42.033826
"1208072"	138.554251	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+ACN+2H"	43.041102
"199119"	513.10596	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+2Na-H"	44.97116
"637590"	747.17336	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+2Na-H"	44.97116
"1144379"	279.03856	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2Na-H"	44.97116
"183294"	257.056618	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+2Na"	45.978436
"621761"	374.090318	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+2Na"	45.978436
"1126362"	140.022918	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2Na"	45.978436
"1402233"	93.6843706666667	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H+2Na"	46.985712
"1430698"	281.080146	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H+HCOOH"	47.012746
"224042"	262.08964	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+3H2O+2H"	56.04448
"1509551"	295.13219	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+IsoProp+H"	61.06479
"410331"	265.043588	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+Na+K"	61.952376
"772784"	382.077288	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+Na+K"	61.952376
"1670208"	148.009888	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Na+K"	61.952376
"253446"	532.150568	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+ACN+Na"	64.015768
"1230532"	298.083168	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+ACN+Na"	64.015768
"1718325"	298.106693	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+NH4+HCOOH"	64.039293
"1180398"	101.011684666667	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+3Na"	68.967654
"1650776"	303.062088	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Na+HCOOH"	68.994688
"157877"	545.05384	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+2K-H"	76.91904
"598897"	779.12124	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+2K-H"	76.91904
"1099471"	310.98644	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2K-H"	76.91904
"156407"	273.030558	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"2M+2K"	77.926316
"595116"	390.064258	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"3M+2K"	77.926316
"1081817"	155.996858	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2K"	77.926316
"1108464"	313.000992	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2K+H"	78.933592
"1348131"	313.088607	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+DMSO+H"	79.021207
"1017753"	317.127776	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2ACN+H"	83.060376
"1538311"	318.121408	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+IsoProp+Na+H"	84.054008
"1004390"	159.067526	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+2ACN+2H"	84.067652
"1602174"	319.036028	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+K+HCOOH"	84.968628
"1427956"	349.067538	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+H+CF3COOH"	115.000138
"1160430"	179.580801	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+3ACN+2H"	125.094202
"1706701"	366.094085	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+NH4+CF3COOH"	132.026685
"1637978"	371.04948	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+Na+CF3COOH"	136.98208
"1582376"	387.02342	"C07431"	"Phenelzine sulfate"	"C8H12N2H2SO4"	"234.0674"	"M+K+CF3COOH"	152.95602
"809463"	177.1154	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M"	0
"979714"	158.09701	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-H2O-H"	-19.01839
"63216"	117.069657333333	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M-3H"	-3.021828
"507519"	176.108124	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M-3H"	-3.021828
"883134"	58.0311906666667	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-3H"	-3.021828
"490"	176.108124	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M-2H"	-2.014552
"444550"	264.665824	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M-2H"	-2.014552
"817285"	87.550424	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-2H"	-2.014552
"78749"	353.223524	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M-H"	-1.007276
"529564"	530.338924	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M-H"	-1.007276
"907363"	176.108124	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-H"	-1.007276
"55181"	370.250071	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M-2H+NH4"	16.019271
"493648"	547.365471	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M-2H+NH4"	16.019271
"876918"	193.134671	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-2H+NH4"	16.019271
"41537"	375.205466	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M-2H+Na"	20.974666
"478910"	552.320866	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M-2H+Na"	20.974666
"854524"	198.090066	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-2H+Na"	20.974666
"1622962"	198.090066	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Na-2H"	20.974666
"96577"	194.096463	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M-H+Cl"	33.962126
"546711"	282.654163	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M-H+Cl"	33.962126
"935852"	105.538763	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-H+Cl"	33.962126
"272222"	389.200202	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+Cl"	34.969402
"667925"	566.315602	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+Cl"	34.969402
"1278146"	212.084802	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Cl"	34.969402
"18513"	391.179406	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M-2H+K"	36.948606
"462447"	568.294806	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M-2H+K"	36.948606
"836239"	214.064006	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-2H+K"	36.948606
"1557538"	214.064006	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+K-2H"	36.948606
"942928"	222.113594	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-H+HCOOH"	44.998194
"365095"	399.229001	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+HCOOH-H"	44.998201
"345752"	413.244651	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+Hac-H"	59.013851
"1492830"	236.129251	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Hac-H"	59.013851
"958866"	244.095551	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-H+NaCOOH"	66.980151
"110446"	212.084802	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+2Cl"	69.938804
"550363"	300.642502	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+2Cl"	69.938804
"1021403"	123.527102	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2Cl"	69.938804
"1241422"	256.034285	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Br"	78.918885
"1311942"	258.090272	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Cl+HCOOH"	80.974872
"1325064"	280.072229	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Cl+NaCOOH"	102.956829
"917581"	290.100986	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M-H+CF3COOH"	112.985586
"1293563"	326.077664	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Cl+CF3COOH"	148.962264
"1367833"	142.102724	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H-2H2O"	-35.012676
"1387397"	160.1127	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H-H2O"	-17.0027
"283798"	355.238076	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+H"	1.007276
"678773"	532.353476	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+H"	1.007276
"1351830"	178.122676	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H"	1.007276
"128011"	178.122676	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+2H"	2.014552
"566598"	266.680376	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+2H"	2.014552
"1044389"	89.564976	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2H"	2.014552
"204995"	119.084209333333	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+3H"	3.021828
"647479"	178.122676	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+3H"	3.021828
"1163653"	60.0457426666667	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+3H"	3.021828
"425609"	372.264623	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+NH4"	18.033823
"789884"	549.380023	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+NH4"	18.033823
"1684029"	195.149223	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+NH4"	18.033823
"332671"	186.6359495	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+H+NH4"	19.041099
"723754"	275.1936495	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+H+NH4"	19.041099
"1484020"	98.0782495	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H+NH4"	19.041099
"408487"	377.220018	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+Na"	22.989218
"768074"	554.335418	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+Na"	22.989218
"1616902"	200.104618	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Na"	22.989218
"329865"	189.113647	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+H+Na"	23.996494
"721674"	277.671347	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+H+Na"	23.996494
"1476105"	100.555947	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H+Na"	23.996494
"1066678"	67.3730566666667	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2H+Na"	25.00377
"1272365"	210.148886	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+CH3OH+H"	33.033486
"392396"	393.193958	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+K"	38.963158
"753515"	570.309358	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+K"	38.963158
"1554957"	216.078558	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+K"	38.963158
"313714"	197.100617	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+H+K"	39.970434
"705891"	285.658317	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+H+K"	39.970434
"1461049"	108.542917	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H+K"	39.970434
"249045"	396.264626	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+ACN+H"	42.033826
"1224301"	219.149226	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+ACN+H"	42.033826
"1201987"	110.078251	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+ACN+2H"	43.041102
"197043"	399.20196	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+2Na-H"	44.97116
"638794"	576.31736	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+2Na-H"	44.97116
"1142302"	222.08656	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2Na-H"	44.97116
"182311"	200.104618	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+2Na"	45.978436
"623696"	288.662318	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+2Na"	45.978436
"1126472"	111.546918	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2Na"	45.978436
"1400520"	74.7003706666667	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H+2Na"	46.985712
"1430000"	224.128146	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H+HCOOH"	47.012746
"222329"	205.13764	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+3H2O+2H"	56.04448
"1511482"	238.18019	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+IsoProp+H"	61.06479
"412260"	208.091588	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+Na+K"	61.952376
"772894"	296.649288	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+Na+K"	61.952376
"1669224"	119.533888	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Na+K"	61.952376
"253191"	418.246568	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+ACN+Na"	64.015768
"1227721"	241.131168	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+ACN+Na"	64.015768
"1713331"	241.154693	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+NH4+HCOOH"	64.039293
"1180141"	82.0276846666667	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+3Na"	68.967654
"1650400"	246.110088	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Na+HCOOH"	68.994688
"158354"	431.14984	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+2K-H"	76.91904
"597912"	608.26524	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+2K-H"	76.91904
"1096657"	254.03444	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2K-H"	76.91904
"154566"	216.078558	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"2M+2K"	77.926316
"593040"	304.636258	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"3M+2K"	77.926316
"1078647"	127.520858	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2K"	77.926316
"1107481"	256.048992	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2K+H"	78.933592
"1347147"	256.136607	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+DMSO+H"	79.021207
"1018957"	260.175776	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2ACN+H"	83.060376
"1539028"	261.169408	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+IsoProp+Na+H"	84.054008
"1005355"	130.591526	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+2ACN+2H"	84.067652
"1602041"	262.084028	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+K+HCOOH"	84.968628
"1425875"	292.115538	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+H+CF3COOH"	115.000138
"1160540"	151.104801	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+3ACN+2H"	125.094202
"1705717"	309.142085	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+NH4+CF3COOH"	132.026685
"1647929"	314.09748	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+Na+CF3COOH"	136.98208
"1582486"	330.07142	"C07432"	"Phenmetrazine"	"C11H15NO"	"177.1154"	"M+K+CF3COOH"	152.95602
"809573"	232.0848	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M"	0
"979824"	213.06641	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-H2O-H"	-19.01839
"65879"	153.715924	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M-3H"	-3.021828
"507629"	231.077524	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M-3H"	-3.021828
"880691"	76.354324	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-3H"	-3.021828
"437"	231.077524	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M-2H"	-2.014552
"444660"	347.119924	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M-2H"	-2.014552
"818082"	115.035124	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-2H"	-2.014552
"80625"	463.162324	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M-H"	-1.007276
"531618"	695.247124	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M-H"	-1.007276
"907473"	231.077524	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-H"	-1.007276
"53104"	480.188871	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M-2H+NH4"	16.019271
"497038"	712.273671	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M-2H+NH4"	16.019271
"877272"	248.104071	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-2H+NH4"	16.019271
"41647"	485.144266	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M-2H+Na"	20.974666
"482300"	717.229066	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M-2H+Na"	20.974666
"854634"	253.059466	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-2H+Na"	20.974666
"1625259"	253.059466	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Na-2H"	20.974666
"99603"	249.065863	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M-H+Cl"	33.962126
"548160"	365.108263	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M-H+Cl"	33.962126
"935962"	133.023463	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-H+Cl"	33.962126
"273426"	499.139002	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+Cl"	34.969402
"665847"	731.223802	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+Cl"	34.969402
"1280443"	267.054202	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Cl"	34.969402
"19716"	501.118206	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M-2H+K"	36.948606
"462556"	733.203006	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M-2H+K"	36.948606
"837079"	269.033406	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-2H+K"	36.948606
"1562750"	269.033406	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+K-2H"	36.948606
"943704"	277.082994	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-H+HCOOH"	44.998194
"365570"	509.167801	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+HCOOH-H"	44.998201
"346411"	523.183451	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+Hac-H"	59.013851
"1492833"	291.098651	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Hac-H"	59.013851
"958641"	299.064951	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-H+NaCOOH"	66.980151
"110719"	267.054202	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+2Cl"	69.938804
"550154"	383.096602	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+2Cl"	69.938804
"1021508"	151.011802	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2Cl"	69.938804
"1242302"	311.003685	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Br"	78.918885
"1311688"	313.059672	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Cl+HCOOH"	80.974872
"1324810"	335.041629	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Cl+NaCOOH"	102.956829
"915139"	345.070386	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M-H+CF3COOH"	112.985586
"1290754"	381.047064	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Cl+CF3COOH"	148.962264
"1370010"	197.072124	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H-2H2O"	-35.012676
"1386412"	215.0821	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H-H2O"	-17.0027
"285003"	465.176876	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+H"	1.007276
"680341"	697.261676	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+H"	1.007276
"1351703"	233.092076	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H"	1.007276
"126539"	233.092076	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+2H"	2.014552
"568407"	349.134476	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+2H"	2.014552
"1045592"	117.049676	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2H"	2.014552
"206562"	155.730476	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+3H"	3.021828
"649775"	233.092076	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+3H"	3.021828
"1166438"	78.368876	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+3H"	3.021828
"431187"	482.203423	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+NH4"	18.033823
"789994"	714.288223	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+NH4"	18.033823
"1683284"	250.118623	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+NH4"	18.033823
"334604"	241.6053495	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+H+NH4"	19.041099
"729212"	357.6477495	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+H+NH4"	19.041099
"1486320"	125.5629495	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H+NH4"	19.041099
"408168"	487.158818	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+Na"	22.989218
"767091"	719.243618	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+Na"	22.989218
"1614096"	255.074018	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Na"	22.989218
"329003"	244.083047	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+H+Na"	23.996494
"722148"	360.125447	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+H+Na"	23.996494
"1474028"	128.040647	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H+Na"	23.996494
"1064359"	85.69619	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2H+Na"	25.00377
"1270773"	265.118286	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+CH3OH+H"	33.033486
"391897"	503.132758	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+K"	38.963158
"751433"	735.217558	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+K"	38.963158
"1554946"	271.047958	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+K"	38.963158
"312488"	252.070017	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+H+K"	39.970434
"705879"	368.112417	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+H+K"	39.970434
"1460183"	136.027617	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H+K"	39.970434
"246599"	506.203426	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+ACN+H"	42.033826
"1214932"	274.118626	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+ACN+H"	42.033826
"1201000"	137.562951	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+ACN+2H"	43.041102
"194963"	509.14076	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+2Na-H"	44.97116
"632700"	741.22556	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+2Na-H"	44.97116
"1142413"	277.05596	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2Na-H"	44.97116
"184607"	255.074018	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+2Na"	45.978436
"624170"	371.116418	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+2Na"	45.978436
"1126582"	139.031618	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2Na"	45.978436
"1400266"	93.023504	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H+2Na"	46.985712
"1429984"	279.097546	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H+HCOOH"	47.012746
"221587"	260.10704	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+3H2O+2H"	56.04448
"1512324"	293.14959	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+IsoProp+H"	61.06479
"410184"	263.060988	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+Na+K"	61.952376
"771909"	379.103388	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+Na+K"	61.952376
"1670062"	147.018588	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Na+K"	61.952376
"255123"	528.185368	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+ACN+Na"	64.015768
"1227830"	296.100568	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+ACN+Na"	64.015768
"1715264"	296.124093	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+NH4+HCOOH"	64.039293
"1179765"	100.350818	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+3Na"	68.967654
"1651236"	301.079488	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Na+HCOOH"	68.994688
"158828"	541.08864	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+2K-H"	76.91904
"600213"	773.17344	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+2K-H"	76.91904
"1096767"	309.00384	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2K-H"	76.91904
"154677"	271.047958	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"2M+2K"	77.926316
"595337"	387.090358	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"3M+2K"	77.926316
"1075476"	155.005558	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2K"	77.926316
"1109778"	311.018392	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2K+H"	78.933592
"1348350"	311.106007	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+DMSO+H"	79.021207
"1020039"	315.145176	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2ACN+H"	83.060376
"1538286"	316.138808	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+IsoProp+Na+H"	84.054008
"1004615"	158.076226	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+2ACN+2H"	84.067652
"1601421"	317.053428	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+K+HCOOH"	84.968628
"1427080"	347.084938	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+H+CF3COOH"	115.000138
"1161379"	178.589501	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+3ACN+2H"	125.094202
"1709107"	364.111485	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+NH4+CF3COOH"	132.026685
"1644759"	369.06688	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+Na+CF3COOH"	136.98208
"1582596"	385.04082	"C07434"	"Phenobarbital"	"C12H12N2O3"	"232.0848"	"M+K+CF3COOH"	152.95602
"811870"	303.139	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M"	0
"986496"	284.12061	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-H2O-H"	-19.01839
"77292"	201.085390666667	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M-3H"	-3.021828
"513208"	302.131724	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M-3H"	-3.021828
"888822"	100.039057333333	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-3H"	-3.021828
"1929"	302.131724	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M-2H"	-2.014552
"441002"	453.701224	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M-2H"	-2.014552
"823666"	150.562224	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-2H"	-2.014552
"80011"	605.270724	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M-H"	-1.007276
"533674"	908.409724	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M-H"	-1.007276
"907583"	302.131724	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-H"	-1.007276
"58678"	622.297271	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M-2H+NH4"	16.019271
"500427"	925.436271	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M-2H+NH4"	16.019271
"879084"	319.158271	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-2H+NH4"	16.019271
"42850"	627.252666	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M-2H+Na"	20.974666
"486663"	930.391666	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M-2H+Na"	20.974666
"854744"	324.113666	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-2H+Na"	20.974666
"1625369"	324.113666	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Na-2H"	20.974666
"98620"	320.120063	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M-H+Cl"	33.962126
"548877"	471.689563	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M-H+Cl"	33.962126
"936072"	168.550563	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-H+Cl"	33.962126
"273536"	641.247402	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+Cl"	34.969402
"665957"	944.386402	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+Cl"	34.969402
"1283834"	338.108402	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Cl"	34.969402
"25294"	643.226606	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M-2H+K"	36.948606
"463760"	946.365606	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M-2H+K"	36.948606
"842656"	340.087606	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-2H+K"	36.948606
"1562860"	340.087606	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+K-2H"	36.948606
"943450"	348.137194	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-H+HCOOH"	44.998194
"366773"	651.276201	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+HCOOH-H"	44.998201
"346643"	665.291851	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+Hac-H"	59.013851
"1492860"	362.152851	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Hac-H"	59.013851
"958674"	370.119151	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-H+NaCOOH"	66.980151
"110951"	338.108402	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+2Cl"	69.938804
"550183"	489.677902	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+2Cl"	69.938804
"1021983"	186.538902	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2Cl"	69.938804
"1241925"	382.057885	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Br"	78.918885
"1309246"	384.113872	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Cl+HCOOH"	80.974872
"1320909"	406.095829	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Cl+NaCOOH"	102.956829
"915613"	416.124586	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M-H+CF3COOH"	112.985586
"1292685"	452.101264	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Cl+CF3COOH"	148.962264
"1369390"	268.126324	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H-2H2O"	-35.012676
"1386160"	286.1363	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H-H2O"	-17.0027
"284020"	607.285276	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+H"	1.007276
"677899"	910.424276	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+H"	1.007276
"1351695"	304.146276	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H"	1.007276
"128594"	304.146276	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+2H"	2.014552
"565788"	455.715776	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+2H"	2.014552
"1038047"	152.576776	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2H"	2.014552
"205212"	203.099942666667	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+3H"	3.021828
"644776"	304.146276	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+3H"	3.021828
"1165090"	102.053609333333	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+3H"	3.021828
"429109"	624.311823	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+NH4"	18.033823
"786214"	927.450823	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+NH4"	18.033823
"1682180"	321.172823	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+NH4"	18.033823
"330455"	312.6595495	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+H+NH4"	19.041099
"729322"	464.2290495	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+H+NH4"	19.041099
"1487523"	161.0900495	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H+NH4"	19.041099
"407995"	629.267218	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+Na"	22.989218
"766107"	932.406218	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+Na"	22.989218
"1617486"	326.128218	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Na"	22.989218
"329802"	315.137247	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+H+Na"	23.996494
"722467"	466.706747	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+H+Na"	23.996494
"1475839"	163.567747	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H+Na"	23.996494
"1065924"	109.380923333333	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2H+Na"	25.00377
"1272585"	336.172486	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+CH3OH+H"	33.033486
"392699"	645.241158	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+K"	38.963158
"753608"	948.380158	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+K"	38.963158
"1554933"	342.102158	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+K"	38.963158
"312844"	323.124217	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+H+K"	39.970434
"706110"	474.693717	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+H+K"	39.970434
"1460982"	171.554717	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H+K"	39.970434
"248896"	648.311826	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+ACN+H"	42.033826
"1219417"	345.172826	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+ACN+H"	42.033826
"1204390"	173.090051	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+ACN+2H"	43.041102
"196166"	651.24916	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+2Na-H"	44.97116
"634633"	954.38816	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+2Na-H"	44.97116
"1145076"	348.11016	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2Na-H"	44.97116
"186542"	326.128218	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+2Na"	45.978436
"624283"	477.697718	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+2Na"	45.978436
"1126692"	174.558718	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2Na"	45.978436
"1399767"	116.708237333333	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H+2Na"	46.985712
"1430093"	350.151746	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H+HCOOH"	47.012746
"226559"	331.16124	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+3H2O+2H"	56.04448
"1512434"	364.20379	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+IsoProp+H"	61.06479
"409200"	334.115188	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+Na+K"	61.952376
"770005"	485.684688	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+Na+K"	61.952376
"1666893"	182.545688	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Na+K"	61.952376
"252320"	670.293768	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+ACN+Na"	64.015768
"1225960"	367.154768	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+ACN+Na"	64.015768
"1714402"	367.178293	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+NH4+HCOOH"	64.039293
"1179394"	124.035551333333	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+3Na"	68.967654
"1650417"	372.133688	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Na+HCOOH"	68.994688
"160764"	683.19704	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+2K-H"	76.91904
"598132"	986.33604	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+2K-H"	76.91904
"1084831"	380.05804	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2K-H"	76.91904
"149318"	342.102158	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"2M+2K"	77.926316
"593627"	493.671658	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"3M+2K"	77.926316
"1075586"	190.532658	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2K"	77.926316
"1112075"	382.072592	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2K+H"	78.933592
"1347368"	382.160207	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+DMSO+H"	79.021207
"1018331"	386.199376	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2ACN+H"	83.060376
"1536940"	387.193008	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+IsoProp+Na+H"	84.054008
"1004117"	193.603326	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+2ACN+2H"	84.067652
"1601411"	388.107628	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+K+HCOOH"	84.968628
"1427918"	418.139138	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+H+CF3COOH"	115.000138
"1159664"	214.116601	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+3ACN+2H"	125.094202
"1710311"	435.165685	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+NH4+CF3COOH"	132.026685
"1647054"	440.12108	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+Na+CF3COOH"	136.98208
"1582706"	456.09502	"C07435"	"Phenoxybenzamine"	"C18H22ClNO"	"303.139"	"M+K+CF3COOH"	152.95602
"809793"	339.1157	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M"	0
"983325"	320.09731	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-H2O-H"	-19.01839
"72662"	225.069857333333	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M-3H"	-3.021828
"513318"	338.108424	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M-3H"	-3.021828
"887839"	112.031290666667	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-3H"	-3.021828
"2039"	338.108424	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M-2H"	-2.014552
"440747"	507.666274	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M-2H"	-2.014552
"822683"	168.550574	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-2H"	-2.014552
"79757"	677.224124	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M-H"	-1.007276
"533540"	1016.339824	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M-H"	-1.007276
"907693"	338.108424	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-H"	-1.007276
"59881"	694.250671	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M-2H+NH4"	16.019271
"499444"	1033.366371	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M-2H+NH4"	16.019271
"876154"	355.134971	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-2H+NH4"	16.019271
"39678"	699.206066	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M-2H+Na"	20.974666
"485801"	1038.321766	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M-2H+Na"	20.974666
"854854"	360.090366	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-2H+Na"	20.974666
"1625479"	360.090366	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Na-2H"	20.974666
"98730"	356.096763	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M-H+Cl"	33.962126
"548136"	525.654613	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M-H+Cl"	33.962126
"936182"	186.538913	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-H+Cl"	33.962126
"270365"	713.200802	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+Cl"	34.969402
"664974"	1052.316502	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+Cl"	34.969402
"1281755"	374.085102	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Cl"	34.969402
"25403"	715.180006	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M-2H+K"	36.948606
"464963"	1054.295706	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M-2H+K"	36.948606
"841673"	376.064306	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-2H+K"	36.948606
"1560783"	376.064306	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+K-2H"	36.948606
"943925"	384.113894	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-H+HCOOH"	44.998194
"362143"	723.229601	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+HCOOH-H"	44.998201
"346753"	737.245251	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+Hac-H"	59.013851
"1493108"	398.129551	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Hac-H"	59.013851
"958621"	406.095851	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-H+NaCOOH"	66.980151
"111304"	374.085102	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+2Cl"	69.938804
"550495"	543.642952	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+2Cl"	69.938804
"1021972"	204.527252	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2Cl"	69.938804
"1242158"	418.034585	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Br"	78.918885
"1308261"	420.090572	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Cl+HCOOH"	80.974872
"1325028"	442.072529	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Cl+NaCOOH"	102.956829
"912561"	452.101286	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M-H+CF3COOH"	112.985586
"1289147"	488.077964	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Cl+CF3COOH"	148.962264
"1369867"	304.103024	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H-2H2O"	-35.012676
"1387362"	322.113	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H-H2O"	-17.0027
"284863"	679.238676	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+H"	1.007276
"675900"	1018.354376	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+H"	1.007276
"1353629"	340.122976	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H"	1.007276
"128706"	340.122976	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+2H"	2.014552
"567900"	509.680826	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+2H"	2.014552
"1039252"	170.565126	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2H"	2.014552
"205084"	227.084409333333	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+3H"	3.021828
"644641"	340.122976	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+3H"	3.021828
"1163377"	114.045842666667	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+3H"	3.021828
"424965"	696.265223	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+NH4"	18.033823
"785960"	1035.380923	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+NH4"	18.033823
"1681926"	357.149523	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+NH4"	18.033823
"329999"	348.6362495	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+H+NH4"	19.041099
"729432"	518.1940995	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+H+NH4"	19.041099
"1488726"	179.0783995	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H+NH4"	19.041099
"408519"	701.220618	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+Na"	22.989218
"766946"	1040.336318	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+Na"	22.989218
"1617596"	362.104918	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Na"	22.989218
"329213"	351.113947	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+H+Na"	23.996494
"722499"	520.671797	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+H+Na"	23.996494
"1474246"	181.556097	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H+Na"	23.996494
"1066033"	121.373156666667	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2H+Na"	25.00377
"1272449"	372.149186	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+CH3OH+H"	33.033486
"391753"	717.194558	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+K"	38.963158
"752745"	1056.310258	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+K"	38.963158
"1555505"	378.078858	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+K"	38.963158
"313073"	359.100917	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+H+K"	39.970434
"706466"	528.658767	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+H+K"	39.970434
"1460768"	189.543067	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H+K"	39.970434
"249006"	720.265226	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+ACN+H"	42.033826
"1220620"	381.149526	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+ACN+H"	42.033826
"1201220"	191.078401	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+ACN+2H"	43.041102
"192996"	723.20256	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+2Na-H"	44.97116
"633650"	1062.31826	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+2Na-H"	44.97116
"1144457"	384.08686	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2Na-H"	44.97116
"185923"	362.104918	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+2Na"	45.978436
"624756"	531.662768	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+2Na"	45.978436
"1128624"	192.547068	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2Na"	45.978436
"1411055"	128.700470666667	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H+2Na"	46.985712
"1430653"	386.128446	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H+HCOOH"	47.012746
"226669"	367.13794	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+3H2O+2H"	56.04448
"1510356"	400.18049	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+IsoProp+H"	61.06479
"408825"	370.091888	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+Na+K"	61.952376
"770184"	539.649738	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+Na+K"	61.952376
"1667732"	200.534038	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Na+K"	61.952376
"252915"	742.247168	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+ACN+Na"	64.015768
"1226596"	403.131468	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+ACN+Na"	64.015768
"1714146"	403.154993	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+NH4+HCOOH"	64.039293
"1180475"	136.027784666667	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+3Na"	68.967654
"1650487"	408.110388	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Na+HCOOH"	68.994688
"159416"	755.15044	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+2K-H"	76.91904
"597392"	1094.26614	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+2K-H"	76.91904
"1084942"	416.03474	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2K-H"	76.91904
"150521"	378.078858	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"2M+2K"	77.926316
"595680"	547.636708	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"3M+2K"	77.926316
"1081163"	208.521008	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2K"	77.926316
"1114007"	418.049292	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2K+H"	78.933592
"1348569"	418.136907	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+DMSO+H"	79.021207
"1019287"	422.176076	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2ACN+H"	83.060376
"1536320"	423.169708	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+IsoProp+Na+H"	84.054008
"1005480"	211.591676	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+2ACN+2H"	84.067652
"1600549"	424.084328	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+K+HCOOH"	84.968628
"1425111"	454.115838	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+H+CF3COOH"	115.000138
"1159774"	232.104951	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+3ACN+2H"	125.094202
"1710421"	471.142385	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+NH4+CF3COOH"	132.026685
"1647164"	476.09778	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+Na+CF3COOH"	136.98208
"1582816"	492.07172	"C07436"	"Phenoxybenzamine hydrochloride"	"C18H22ClNOHCl"	"339.1157"	"M+K+CF3COOH"	152.95602
"809903"	189.079	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M"	0
"983435"	170.06061	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-H2O-H"	-19.01839
"71679"	125.045390666667	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M-3H"	-3.021828
"509055"	188.071724	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M-3H"	-3.021828
"882482"	62.0190573333333	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-3H"	-3.021828
"366"	188.071724	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M-2H"	-2.014552
"440198"	282.611224	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M-2H"	-2.014552
"822793"	93.532224	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-2H"	-2.014552
"78894"	377.150724	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M-H"	-1.007276
"520886"	566.229724	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M-H"	-1.007276
"907803"	188.071724	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-H"	-1.007276
"54523"	394.177271	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M-2H+NH4"	16.019271
"497366"	583.256271	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M-2H+NH4"	16.019271
"874075"	205.098271	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-2H+NH4"	16.019271
"39788"	399.132666	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M-2H+Na"	20.974666
"485790"	588.211666	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M-2H+Na"	20.974666
"858244"	210.053666	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-2H+Na"	20.974666
"1622309"	210.053666	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Na-2H"	20.974666
"98840"	206.060063	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M-H+Cl"	33.962126
"548610"	300.599563	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M-H+Cl"	33.962126
"936292"	111.520563	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-H+Cl"	33.962126
"270475"	413.127402	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+Cl"	34.969402
"661804"	602.206402	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+Cl"	34.969402
"1280772"	224.048402	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Cl"	34.969402
"25513"	415.106606	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M-2H+K"	36.948606
"461793"	604.185606	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M-2H+K"	36.948606
"841783"	226.027606	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-2H+K"	36.948606
"1559800"	226.027606	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+K-2H"	36.948606
"944763"	234.077194	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-H+HCOOH"	44.998194
"365169"	423.156201	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+HCOOH-H"	44.998201
"348323"	437.171851	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+Hac-H"	59.013851
"1492911"	248.092851	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Hac-H"	59.013851
"958558"	256.059151	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-H+NaCOOH"	66.980151
"111050"	224.048402	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+2Cl"	69.938804
"550609"	318.587902	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+2Cl"	69.938804
"1021719"	129.508902	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2Cl"	69.938804
"1242146"	267.997885	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Br"	78.918885
"1308371"	270.053872	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Cl+HCOOH"	80.974872
"1323316"	292.035829	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Cl+NaCOOH"	102.956829
"914008"	302.064586	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M-H+CF3COOH"	112.985586
"1289986"	338.041264	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Cl+CF3COOH"	148.962264
"1371068"	154.066324	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H-2H2O"	-35.012676
"1386378"	172.0763	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H-H2O"	-17.0027
"285336"	379.165276	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+H"	1.007276
"676296"	568.244276	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+H"	1.007276
"1352646"	190.086276	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H"	1.007276
"133189"	190.086276	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+2H"	2.014552
"570562"	284.625776	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+2H"	2.014552
"1040456"	95.546776	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2H"	2.014552
"205314"	127.059942666667	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+3H"	3.021828
"646572"	190.086276	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+3H"	3.021828
"1165310"	64.0336093333333	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+3H"	3.021828
"424342"	396.191823	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+NH4"	18.033823
"786426"	585.270823	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+NH4"	18.033823
"1682036"	207.112823	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+NH4"	18.033823
"330036"	198.5995495	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+H+NH4"	19.041099
"725169"	293.1390495	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+H+NH4"	19.041099
"1491021"	104.0600495	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H+NH4"	19.041099
"408009"	401.147218	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+Na"	22.989218
"767056"	590.226218	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+Na"	22.989218
"1617221"	212.068218	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Na"	22.989218
"328471"	201.077247	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+H+Na"	23.996494
"722778"	295.616747	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+H+Na"	23.996494
"1475084"	106.537747	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H+Na"	23.996494
"1066143"	71.3609233333333	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2H+Na"	25.00377
"1272074"	222.112486	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+CH3OH+H"	33.033486
"392227"	417.121158	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+K"	38.963158
"752856"	606.200158	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+K"	38.963158
"1554907"	228.042158	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+K"	38.963158
"312817"	209.064217	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+H+K"	39.970434
"706332"	303.603717	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+H+K"	39.970434
"1460149"	114.524717	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H+K"	39.970434
"244742"	420.191826	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+ACN+H"	42.033826
"1221823"	231.112826	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+ACN+H"	42.033826
"1202423"	116.060051	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+ACN+2H"	43.041102
"197478"	423.12916	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+2Na-H"	44.97116
"633760"	612.20816	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+2Na-H"	44.97116
"1142744"	234.05016	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2Na-H"	44.97116
"184576"	212.068218	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+2Na"	45.978436
"625595"	306.607718	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+2Na"	45.978436
"1126914"	117.528718	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2Na"	45.978436
"1410072"	78.6882373333333	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H+2Na"	46.985712
"1430276"	236.091746	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H+HCOOH"	47.012746
"226779"	217.10124	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+3H2O+2H"	56.04448
"1512654"	250.14379	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+IsoProp+H"	61.06479
"408689"	220.055188	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+Na+K"	61.952376
"771512"	314.594688	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+Na+K"	61.952376
"1667843"	125.515688	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Na+K"	61.952376
"251482"	442.173768	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+ACN+Na"	64.015768
"1226707"	253.094768	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+ACN+Na"	64.015768
"1713407"	253.118293	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+NH4+HCOOH"	64.039293
"1179489"	86.0155513333333	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+3Na"	68.967654
"1650478"	258.073688	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Na+HCOOH"	68.994688
"159161"	455.07704	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+2K-H"	76.91904
"597172"	644.15604	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+2K-H"	76.91904
"1084809"	265.99804	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2K-H"	76.91904
"150631"	228.042158	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"2M+2K"	77.926316
"596031"	322.581658	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"3M+2K"	77.926316
"1082001"	133.502658	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2K"	77.926316
"1114361"	268.012592	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2K+H"	78.933592
"1349410"	268.100207	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+DMSO+H"	79.021207
"1019887"	272.139376	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2ACN+H"	83.060376
"1536431"	273.133008	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+IsoProp+Na+H"	84.054008
"1004942"	136.573326	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+2ACN+2H"	84.067652
"1601875"	274.047628	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+K+HCOOH"	84.968628
"1424128"	304.079138	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+H+CF3COOH"	115.000138
"1155510"	157.086601	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+3ACN+2H"	125.094202
"1710167"	321.105685	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+NH4+CF3COOH"	132.026685
"1646181"	326.06108	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+Na+CF3COOH"	136.98208
"1582926"	342.03502	"C07437"	"Phensuximide"	"C11H11NO2"	"189.079"	"M+K+CF3COOH"	152.95602
"810013"	149.1204	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M"	0
"983545"	130.10201	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-H2O-H"	-19.01839
"75069"	98.406324	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M-3H"	-3.021828
"509165"	148.113124	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M-3H"	-3.021828
"884779"	48.699524	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-3H"	-3.021828
"3352"	148.113124	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M-2H"	-2.014552
"440560"	222.673324	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M-2H"	-2.014552
"826183"	73.552924	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-2H"	-2.014552
"79369"	297.233524	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M-H"	-1.007276
"522455"	446.353924	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M-H"	-1.007276
"907549"	148.113124	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-H"	-1.007276
"53540"	314.260071	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M-2H+NH4"	16.019271
"499664"	463.380471	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M-2H+NH4"	16.019271
"875278"	165.139671	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-2H+NH4"	16.019271
"40991"	319.215466	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M-2H+Na"	20.974666
"484200"	468.335866	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M-2H+Na"	20.974666
"861270"	170.095066	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-2H+Na"	20.974666
"1625699"	170.095066	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Na-2H"	20.974666
"98950"	166.101463	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M-H+Cl"	33.962126
"547506"	240.661663	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M-H+Cl"	33.962126
"936402"	91.541263	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-H+Cl"	33.962126
"270585"	333.210202	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+Cl"	34.969402
"661914"	482.330602	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+Cl"	34.969402
"1280882"	184.089802	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Cl"	34.969402
"24530"	335.189406	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M-2H+K"	36.948606
"460810"	484.309806	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M-2H+K"	36.948606
"837519"	186.069006	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-2H+K"	36.948606
"1559911"	186.069006	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+K-2H"	36.948606
"943659"	194.118594	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-H+HCOOH"	44.998194
"364915"	343.239001	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+HCOOH-H"	44.998201
"345871"	357.254651	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+Hac-H"	59.013851
"1493128"	208.134251	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Hac-H"	59.013851
"958643"	216.100551	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-H+NaCOOH"	66.980151
"110795"	184.089802	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+2Cl"	69.938804
"550836"	258.650002	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+2Cl"	69.938804
"1021825"	109.529602	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2Cl"	69.938804
"1242133"	228.039285	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Br"	78.918885
"1307024"	230.095272	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Cl+HCOOH"	80.974872
"1321969"	252.077229	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Cl+NaCOOH"	102.956829
"917402"	262.105986	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M-H+CF3COOH"	112.985586
"1290828"	298.082664	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Cl+CF3COOH"	148.962264
"1370086"	114.107724	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H-2H2O"	-35.012676
"1384304"	132.1177	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H-H2O"	-17.0027
"286175"	299.248076	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+H"	1.007276
"679689"	448.368476	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+H"	1.007276
"1358224"	150.127676	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H"	1.007276
"133300"	150.127676	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+2H"	2.014552
"572859"	224.687876	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+2H"	2.014552
"1044938"	75.567476	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2H"	2.014552
"206037"	100.420876	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+3H"	3.021828
"646085"	150.127676	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+3H"	3.021828
"1165057"	50.714076	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+3H"	3.021828
"426152"	316.274623	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+NH4"	18.033823
"786535"	465.395023	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+NH4"	18.033823
"1682753"	167.154223	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+NH4"	18.033823
"331031"	158.6409495	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+H+NH4"	19.041099
"723247"	233.2011495	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+H+NH4"	19.041099
"1490038"	84.0807495	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H+NH4"	19.041099
"407756"	321.230018	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+Na"	22.989218
"768259"	470.350418	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+Na"	22.989218
"1617210"	172.109618	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Na"	22.989218
"325664"	161.118647	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+H+Na"	23.996494
"722717"	235.678847	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+H+Na"	23.996494
"1474100"	86.558447	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H+Na"	23.996494
"1067955"	58.04139	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2H+Na"	25.00377
"1272063"	182.153886	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+CH3OH+H"	33.033486
"392216"	337.203958	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+K"	38.963158
"751873"	486.324358	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+K"	38.963158
"1552832"	188.083558	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+K"	38.963158
"311834"	169.105617	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+H+K"	39.970434
"705349"	243.665817	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+H+K"	39.970434
"1458438"	94.545417	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H+K"	39.970434
"244852"	340.274626	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+ACN+H"	42.033826
"1221934"	191.154226	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+ACN+H"	42.033826
"1203626"	96.080751	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+ACN+2H"	43.041102
"195401"	343.21196	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+2Na-H"	44.97116
"633869"	492.33236	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+2Na-H"	44.97116
"1143218"	194.09156	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2Na-H"	44.97116
"184322"	172.109618	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+2Na"	45.978436
"624612"	246.669818	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+2Na"	45.978436
"1125931"	97.549418	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2Na"	45.978436
"1408361"	65.368704	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H+2Na"	46.985712
"1430269"	196.133146	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H+HCOOH"	47.012746
"220692"	177.14264	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+3H2O+2H"	56.04448
"1511671"	210.18519	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+IsoProp+H"	61.06479
"409409"	180.096588	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+Na+K"	61.952376
"769955"	254.656788	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+Na+K"	61.952376
"1668682"	105.536388	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Na+K"	61.952376
"253014"	362.256568	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+ACN+Na"	64.015768
"1226574"	213.136168	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+ACN+Na"	64.015768
"1714247"	213.159693	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+NH4+HCOOH"	64.039293
"1180330"	72.696018	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+3Na"	68.967654
"1650588"	218.115088	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Na+HCOOH"	68.994688
"157490"	375.15984	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+2K-H"	76.91904
"597105"	524.28024	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+2K-H"	76.91904
"1084268"	226.03944	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2K-H"	76.91904
"150741"	188.083558	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"2M+2K"	77.926316
"594679"	262.643758	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"3M+2K"	77.926316
"1083691"	113.523358	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2K"	77.926316
"1114228"	228.053992	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2K+H"	78.933592
"1349157"	228.141607	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+DMSO+H"	79.021207
"1020236"	232.180776	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2ACN+H"	83.060376
"1535447"	233.174408	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+IsoProp+Na+H"	84.054008
"1004443"	116.594026	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+2ACN+2H"	84.067652
"1601133"	234.089028	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+K+HCOOH"	84.968628
"1425331"	264.120538	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+H+CF3COOH"	115.000138
"1157807"	137.107301	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+3ACN+2H"	125.094202
"1710277"	281.147085	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+NH4+CF3COOH"	132.026685
"1645197"	286.10248	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+Na+CF3COOH"	136.98208
"1583036"	302.07642	"C07438"	"Phentermine;alphaalpha-Dimethylphenethylamine"	"C10H15N"	"149.1204"	"M+K+CF3COOH"	152.95602
"815595"	308.1525	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M"	0
"989448"	289.13411	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-H2O-H"	-19.01839
"77367"	204.427724	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M-3H"	-3.021828
"507089"	307.145224	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M-3H"	-3.021828
"887075"	101.710224	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-3H"	-3.021828
"2369"	307.145224	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M-2H"	-2.014552
"445208"	461.221474	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M-2H"	-2.014552
"818756"	153.068974	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-2H"	-2.014552
"80449"	615.297724	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M-H"	-1.007276
"529126"	923.450224	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M-H"	-1.007276
"908023"	307.145224	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-H"	-1.007276
"55837"	632.324271	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M-2H+NH4"	16.019271
"500144"	940.476771	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M-2H+NH4"	16.019271
"877216"	324.171771	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-2H+NH4"	16.019271
"45112"	637.279666	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M-2H+Na"	20.974666
"485042"	945.432166	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M-2H+Na"	20.974666
"863731"	329.127166	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-2H+Na"	20.974666
"1625809"	329.127166	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Na-2H"	20.974666
"100153"	325.133563	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M-H+Cl"	33.962126
"546274"	479.209813	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M-H+Cl"	33.962126
"939793"	171.057313	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-H+Cl"	33.962126
"273975"	651.274402	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+Cl"	34.969402
"667491"	959.426902	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+Cl"	34.969402
"1281723"	343.121902	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Cl"	34.969402
"25734"	653.253606	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M-2H+K"	36.948606
"462015"	961.406106	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M-2H+K"	36.948606
"840910"	345.101106	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-2H+K"	36.948606
"1562207"	345.101106	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+K-2H"	36.948606
"947901"	353.150694	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-H+HCOOH"	44.998194
"366118"	661.303201	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+HCOOH-H"	44.998201
"347085"	675.318851	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+Hac-H"	59.013851
"1494820"	367.166351	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Hac-H"	59.013851
"960175"	375.132651	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-H+NaCOOH"	66.980151
"110903"	343.121902	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+2Cl"	69.938804
"551190"	497.198152	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+2Cl"	69.938804
"1023028"	189.045652	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2Cl"	69.938804
"1243213"	387.071385	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Br"	78.918885
"1304702"	389.127372	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Cl+HCOOH"	80.974872
"1322075"	411.109329	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Cl+NaCOOH"	102.956829
"913134"	421.138086	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M-H+CF3COOH"	112.985586
"1290207"	457.114764	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Cl+CF3COOH"	148.962264
"1371287"	273.139824	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H-2H2O"	-35.012676
"1390971"	291.1498	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H-H2O"	-17.0027
"286648"	617.312276	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+H"	1.007276
"680893"	925.464776	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+H"	1.007276
"1357241"	309.159776	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H"	1.007276
"132317"	309.159776	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+2H"	2.014552
"569690"	463.236026	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+2H"	2.014552
"1041769"	155.083526	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2H"	2.014552
"206027"	206.442276	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+3H"	3.021828
"646680"	309.159776	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+3H"	3.021828
"1166625"	103.724776	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+3H"	3.021828
"427356"	634.338823	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+NH4"	18.033823
"786891"	942.491323	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+NH4"	18.033823
"1683583"	326.186323	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+NH4"	18.033823
"331130"	317.6730495	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+H+NH4"	19.041099
"726111"	471.7492995	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+H+NH4"	19.041099
"1478833"	163.5967995	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H+NH4"	19.041099
"405547"	639.294218	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+Na"	22.989218
"768737"	947.446718	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+Na"	22.989218
"1617078"	331.141718	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Na"	22.989218
"328572"	320.150747	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+H+Na"	23.996494
"721610"	474.226997	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+H+Na"	23.996494
"1475674"	166.074497	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H+Na"	23.996494
"1066371"	111.05209	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2H+Na"	25.00377
"1271694"	341.185986	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+CH3OH+H"	33.033486
"391841"	655.268158	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+K"	38.963158
"752591"	963.420658	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+K"	38.963158
"1552941"	347.115658	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+K"	38.963158
"313040"	328.137717	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+H+K"	39.970434
"705705"	482.213967	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+H+K"	39.970434
"1460371"	174.061467	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H+K"	39.970434
"250432"	658.338826	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+ACN+H"	42.033826
"1223139"	350.186326	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+ACN+H"	42.033826
"1204831"	175.596801	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+ACN+2H"	43.041102
"198792"	661.27616	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+2Na-H"	44.97116
"632886"	969.42866	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+2Na-H"	44.97116
"1137862"	353.12366	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2Na-H"	44.97116
"175319"	331.141718	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+2Na"	45.978436
"626914"	485.217968	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+2Na"	45.978436
"1122032"	177.065468	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2Na"	45.978436
"1405556"	118.379404	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H+2Na"	46.985712
"1443992"	355.165246	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H+HCOOH"	47.012746
"230281"	336.17474	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+3H2O+2H"	56.04448
"1509227"	369.21729	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+IsoProp+H"	61.06479
"413653"	339.128688	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+Na+K"	61.952376
"771369"	493.204938	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+Na+K"	61.952376
"1666728"	185.052438	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Na+K"	61.952376
"251664"	680.320768	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+ACN+Na"	64.015768
"1227294"	372.168268	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+ACN+Na"	64.015768
"1714113"	372.191793	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+NH4+HCOOH"	64.039293
"1180081"	125.706718	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+3Na"	68.967654
"1653251"	377.147188	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Na+HCOOH"	68.994688
"157918"	693.22404	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+2K-H"	76.91904
"600767"	1001.37654	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+2K-H"	76.91904
"1088559"	385.07154	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2K-H"	76.91904
"156317"	347.115658	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"2M+2K"	77.926316
"590408"	501.191908	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"3M+2K"	77.926316
"1072732"	193.039408	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2K"	77.926316
"1112152"	387.086092	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2K+H"	78.933592
"1347444"	387.173707	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+DMSO+H"	79.021207
"1017796"	391.212876	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2ACN+H"	83.060376
"1533370"	392.206508	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+IsoProp+Na+H"	84.054008
"1001641"	196.110076	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+2ACN+2H"	84.067652
"1601609"	393.121128	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+K+HCOOH"	84.968628
"1426903"	423.152638	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+H+CF3COOH"	115.000138
"1153545"	216.623351	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+3ACN+2H"	125.094202
"1704189"	440.179185	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+NH4+CF3COOH"	132.026685
"1645307"	445.13458	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+Na+CF3COOH"	136.98208
"1583146"	461.10852	"C07440"	"Phenylbutazone"	"C19H20N2O2"	"308.1525"	"M+K+CF3COOH"	152.95602
"803670"	167.0946	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M"	0
"980483"	148.07621	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"65806"	110.389124	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"514851"	166.087324	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"887187"	54.690924	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"5760"	166.087324	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"446412"	249.634624	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"818749"	82.540024	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"81290"	333.181924	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"522675"	500.276524	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"908133"	166.087324	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"57040"	350.208471	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"500615"	517.303071	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"878051"	183.113871	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"46557"	355.163866	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"485877"	522.258466	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"864043"	188.069266	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1629199"	188.069266	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"102450"	184.075663	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"548936"	267.622963	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"938810"	100.528363	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"275178"	369.158602	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"667601"	536.253202	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1280009"	202.064002	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"23657"	371.137806	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"463217"	538.232406	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"837738"	204.043206	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1562316"	204.043206	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"946186"	212.092794	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"367322"	379.187401	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"354488"	393.203051	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1498216"	226.108451	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"962841"	234.074751	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"113571"	202.064002	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"553859"	285.611302	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1024114"	118.516702	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1243330"	246.013485	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1307243"	248.069472	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1322551"	270.051429	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"915067"	280.080186	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1289588"	316.056864	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1371397"	132.081924	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1391081"	150.0919	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"288582"	335.196476	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"682097"	502.291076	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1358446"	168.101876	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"126470"	168.101876	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"567616"	251.649176	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1041882"	84.554576	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"206503"	112.403676	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"650439"	168.101876	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1167831"	56.705476	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"428562"	352.223023	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"791743"	519.317623	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1684792"	185.128423	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"330998"	176.6151495	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"725857"	260.1624495	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1478945"	93.0678495	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"405657"	357.178418	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"769739"	524.273018	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1618201"	190.083818	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"327706"	179.092847	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"720497"	262.640147	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1476394"	95.545547	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1066969"	64.03279	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1272252"	200.128086	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"390006"	373.152358	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"751000"	540.246958	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1550865"	206.057758	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"313156"	187.079817	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"706662"	270.627117	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1460117"	103.532517	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"249820"	376.223026	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1222524"	209.128426	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1204944"	105.067851	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"197812"	379.16036	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"634091"	546.25496	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1141253"	212.06576	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"176160"	190.083818	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"624836"	273.631118	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1123965"	106.536518	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1404209"	71.360104	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1437417"	214.107346	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"228204"	195.11684	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1509216"	228.15939	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"412670"	198.070788	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"770991"	281.618088	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1666103"	114.523488	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"252990"	398.204968	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1227037"	231.110368	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1713371"	231.133893	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1180913"	78.687418	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1650447"	236.089288	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"160223"	411.10824	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"604160"	578.20284	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1086484"	244.01364	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"154240"	206.057758	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"591614"	289.605058	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1073939"	122.510458	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1113357"	246.028192	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1346461"	246.115807	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1019000"	250.154976	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1533480"	251.148608	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"1003573"	125.581126	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1601359"	252.063228	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1427743"	282.094738	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1155842"	146.094401	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1704299"	299.121285	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1642136"	304.07668	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1583256"	320.05062	"C07441"	"Phenylephrine"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"803780"	252.0899	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M"	0
"975124"	233.07151	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-H2O-H"	-19.01839
"65187"	167.052657333333	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M-3H"	-3.021828
"513868"	251.082624	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M-3H"	-3.021828
"884017"	83.0226906666667	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-3H"	-3.021828
"4776"	251.082624	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M-2H"	-2.014552
"445429"	377.127574	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M-2H"	-2.014552
"819223"	125.037674	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-2H"	-2.014552
"81036"	503.172524	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M-H"	-1.007276
"522785"	755.262424	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M-H"	-1.007276
"900587"	251.082624	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-H"	-1.007276
"54963"	520.199071	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M-2H+NH4"	16.019271
"498900"	772.288971	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M-2H+NH4"	16.019271
"870139"	268.109171	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-2H+NH4"	16.019271
"40227"	525.154466	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M-2H+Na"	20.974666
"483070"	777.244366	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M-2H+Na"	20.974666
"855403"	273.064566	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-2H+Na"	20.974666
"1623841"	273.064566	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Na-2H"	20.974666
"100373"	269.070963	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M-H+Cl"	33.962126
"545401"	395.115913	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M-H+Cl"	33.962126
"937829"	143.026013	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-H+Cl"	33.962126
"277476"	539.149202	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+Cl"	34.969402
"663336"	791.239102	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+Cl"	34.969402
"1283396"	287.059302	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Cl"	34.969402
"22674"	541.128406	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M-2H+K"	36.948606
"461141"	793.218306	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M-2H+K"	36.948606
"837847"	289.038506	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-2H+K"	36.948606
"1559876"	289.038506	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+K-2H"	36.948606
"947027"	297.088094	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-H+HCOOH"	44.998194
"367797"	549.178001	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+HCOOH-H"	44.998201
"351318"	563.193651	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+Hac-H"	59.013851
"1499054"	311.103751	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Hac-H"	59.013851
"963682"	319.070051	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-H+NaCOOH"	66.980151
"114775"	287.059302	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+2Cl"	69.938804
"553971"	413.104252	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+2Cl"	69.938804
"1024594"	161.014352	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2Cl"	69.938804
"1244172"	331.008785	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Br"	78.918885
"1308810"	333.064772	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Cl+HCOOH"	80.974872
"1322661"	355.046729	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Cl+NaCOOH"	102.956829
"914084"	365.075486	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M-H+CF3COOH"	112.985586
"1292617"	401.052164	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Cl+CF3COOH"	148.962264
"1371507"	217.077224	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H-2H2O"	-35.012676
"1390098"	235.0872	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H-H2O"	-17.0027
"287234"	505.187076	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+H"	1.007276
"679291"	757.276976	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+H"	1.007276
"1352480"	253.097176	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H"	1.007276
"128530"	253.097176	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+2H"	2.014552
"567724"	379.142126	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+2H"	2.014552
"1039805"	127.052226	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2H"	2.014552
"206977"	169.067209333333	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+3H"	3.021828
"648358"	253.097176	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+3H"	3.021828
"1165021"	85.0372426666667	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+3H"	3.021828
"426849"	522.213623	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+NH4"	18.033823
"789300"	774.303523	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+NH4"	18.033823
"1685998"	270.123723	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+NH4"	18.033823
"334275"	261.6104495	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+H+NH4"	19.041099
"725966"	387.6553995	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+H+NH4"	19.041099
"1478327"	135.5654995	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H+NH4"	19.041099
"404674"	527.169018	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+Na"	22.989218
"768710"	779.258918	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+Na"	22.989218
"1616325"	275.079118	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Na"	22.989218
"328180"	264.088147	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+H+Na"	23.996494
"719514"	390.133097	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+H+Na"	23.996494
"1476783"	138.043197	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H+Na"	23.996494
"1067192"	92.3645566666667	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2H+Na"	25.00377
"1272557"	285.123386	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+CH3OH+H"	33.033486
"391209"	543.142958	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+K"	38.963158
"748923"	795.232858	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+K"	38.963158
"1552068"	291.053058	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+K"	38.963158
"314110"	272.075117	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+H+K"	39.970434
"706894"	398.120067	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+H+K"	39.970434
"1459496"	146.030167	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H+K"	39.970434
"250656"	546.213626	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+ACN+H"	42.033826
"1224088"	294.123726	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+ACN+H"	42.033826
"1205054"	147.565501	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+ACN+2H"	43.041102
"196829"	549.15096	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+2Na-H"	44.97116
"634201"	801.24086	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+2Na-H"	44.97116
"1142092"	297.06106	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2Na-H"	44.97116
"179186"	275.079118	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+2Na"	45.978436
"625310"	401.124068	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+2Na"	45.978436
"1122252"	149.034168	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2Na"	45.978436
"1407599"	99.6918706666667	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H+2Na"	46.985712
"1438621"	299.102646	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H+HCOOH"	47.012746
"229408"	280.11214	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+3H2O+2H"	56.04448
"1509445"	313.15469	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+IsoProp+H"	61.06479
"410591"	283.066088	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+Na+K"	61.952376
"771950"	409.111038	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+Na+K"	61.952376
"1666699"	157.021138	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Na+K"	61.952376
"253220"	568.195568	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+ACN+Na"	64.015768
"1227875"	316.105668	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+ACN+Na"	64.015768
"1714209"	316.129193	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+NH4+HCOOH"	64.039293
"1179928"	107.019184666667	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+3Na"	68.967654
"1651769"	321.084588	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Na+HCOOH"	68.994688
"160697"	581.09884	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+2K-H"	76.91904
"599165"	833.18874	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+2K-H"	76.91904
"1086594"	329.00894	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2K-H"	76.91904
"143044"	291.053058	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"2M+2K"	77.926316
"591724"	417.098008	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"3M+2K"	77.926316
"1075142"	165.008108	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2K"	77.926316
"1112367"	331.023492	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2K+H"	78.933592
"1348019"	331.111107	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+DMSO+H"	79.021207
"1017646"	335.150276	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2ACN+H"	83.060376
"1531402"	336.143908	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+IsoProp+Na+H"	84.054008
"1002225"	168.078776	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+2ACN+2H"	84.067652
"1601465"	337.058528	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+K+HCOOH"	84.968628
"1427853"	367.090038	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+H+CF3COOH"	115.000138
"1159963"	188.592051	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+3ACN+2H"	125.094202
"1706596"	384.116585	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+NH4+CF3COOH"	132.026685
"1642246"	389.07198	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+Na+CF3COOH"	136.98208
"1583366"	405.04592	"C07443"	"Phenytoin"	"C15H12N2O2"	"252.0899"	"M+K+CF3COOH"	152.95602
"803890"	248.1525	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M"	0
"974464"	229.13411	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-H2O-H"	-19.01839
"68945"	164.427724	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M-3H"	-3.021828
"518484"	247.145224	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M-3H"	-3.021828
"890687"	81.710224	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-3H"	-3.021828
"9260"	247.145224	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M-2H"	-2.014552
"449913"	371.221474	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M-2H"	-2.014552
"822249"	123.068974	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-2H"	-2.014552
"81146"	495.297724	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M-H"	-1.007276
"522166"	743.450224	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M-H"	-1.007276
"902884"	247.145224	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-H"	-1.007276
"57260"	512.324271	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M-2H+NH4"	16.019271
"501196"	760.476771	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M-2H+NH4"	16.019271
"875716"	264.171771	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-2H+NH4"	16.019271
"40337"	517.279666	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M-2H+Na"	20.974666
"485733"	765.432166	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M-2H+Na"	20.974666
"862073"	269.127166	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-2H+Na"	20.974666
"1622858"	269.127166	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Na-2H"	20.974666
"105950"	265.133563	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M-H+Cl"	33.962126
"549158"	389.209813	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M-H+Cl"	33.962126
"936845"	141.057313	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-H+Cl"	33.962126
"277586"	531.274402	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+Cl"	34.969402
"665634"	779.426902	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+Cl"	34.969402
"1282413"	283.121902	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Cl"	34.969402
"20962"	533.253606	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M-2H+K"	36.948606
"463436"	781.406106	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M-2H+K"	36.948606
"839050"	285.101106	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-2H+K"	36.948606
"1562538"	285.101106	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+K-2H"	36.948606
"946044"	293.150694	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-H+HCOOH"	44.998194
"367542"	541.303201	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+HCOOH-H"	44.998201
"351792"	555.318851	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+Hac-H"	59.013851
"1498436"	307.166351	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Hac-H"	59.013851
"962700"	315.132651	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-H+NaCOOH"	66.980151
"113790"	283.121902	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+2Cl"	69.938804
"554446"	407.198152	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+2Cl"	69.938804
"1026892"	159.045652	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2Cl"	69.938804
"1243554"	327.071385	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Br"	78.918885
"1309652"	329.127372	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Cl+HCOOH"	80.974872
"1325691"	351.109329	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Cl+NaCOOH"	102.956829
"917841"	361.138086	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M-H+CF3COOH"	112.985586
"1299655"	397.114764	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Cl+CF3COOH"	148.962264
"1371618"	213.139824	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H-2H2O"	-35.012676
"1388021"	231.1498	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H-H2O"	-17.0027
"288076"	497.312276	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+H"	1.007276
"679040"	745.464776	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+H"	1.007276
"1355752"	249.159776	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H"	1.007276
"129736"	249.159776	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+2H"	2.014552
"571118"	373.236026	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+2H"	2.014552
"1043197"	125.083526	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2H"	2.014552
"208912"	166.442276	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+3H"	3.021828
"645919"	249.159776	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+3H"	3.021828
"1164767"	83.724776	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+3H"	3.021828
"427691"	514.338823	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+NH4"	18.033823
"791964"	762.491323	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+NH4"	18.033823
"1688293"	266.186323	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+NH4"	18.033823
"334388"	257.6730495	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+H+NH4"	19.041099
"726076"	381.7492995	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+H+NH4"	19.041099
"1478073"	133.5967995	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H+NH4"	19.041099
"405877"	519.294218	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+Na"	22.989218
"769062"	767.446718	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+Na"	22.989218
"1617770"	271.141718	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Na"	22.989218
"326104"	260.150747	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+H+Na"	23.996494
"722746"	384.226997	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+H+Na"	23.996494
"1475273"	136.074497	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H+Na"	23.996494
"1067790"	91.05209	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2H+Na"	25.00377
"1271290"	281.185986	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+CH3OH+H"	33.033486
"389133"	535.268158	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+K"	38.963158
"750126"	783.420658	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+K"	38.963158
"1553271"	287.115658	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+K"	38.963158
"313937"	268.137717	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+H+K"	39.970434
"705061"	392.213967	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+H+K"	39.970434
"1458882"	144.061467	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H+K"	39.970434
"249305"	538.338826	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+ACN+H"	42.033826
"1224081"	290.186326	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+ACN+H"	42.033826
"1205164"	145.596801	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+ACN+2H"	43.041102
"198033"	541.27616	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+2Na-H"	44.97116
"639780"	789.42866	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+2Na-H"	44.97116
"1144389"	293.12366	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2Na-H"	44.97116
"181118"	271.141718	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+2Na"	45.978436
"626512"	395.217968	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+2Na"	45.978436
"1129290"	147.065468	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2Na"	45.978436
"1410990"	98.379404	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H+2Na"	46.985712
"1443834"	295.165246	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H+HCOOH"	47.012746
"232799"	276.17474	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+3H2O+2H"	56.04448
"1511019"	309.21729	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+IsoProp+H"	61.06479
"413985"	279.128688	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+Na+K"	61.952376
"776074"	403.204938	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+Na+K"	61.952376
"1668032"	155.052438	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Na+K"	61.952376
"254547"	560.320768	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+ACN+Na"	64.015768
"1228355"	312.168268	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+ACN+Na"	64.015768
"1715418"	312.191793	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+NH4+HCOOH"	64.039293
"1180767"	105.706718	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+3Na"	68.967654
"1651761"	317.147188	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Na+HCOOH"	68.994688
"160443"	573.22404	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+2K-H"	76.91904
"600004"	821.37654	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+2K-H"	76.91904
"1092171"	325.07154	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2K-H"	76.91904
"143155"	287.115658	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"2M+2K"	77.926316
"594021"	411.191908	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"3M+2K"	77.926316
"1076345"	163.039408	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2K"	77.926316
"1108459"	327.086092	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2K+H"	78.933592
"1345942"	327.173707	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+DMSO+H"	79.021207
"1016663"	331.212876	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2ACN+H"	83.060376
"1534792"	332.206508	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+IsoProp+Na+H"	84.054008
"1002334"	166.110076	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+2ACN+2H"	84.067652
"1601210"	333.121128	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+K+HCOOH"	84.968628
"1427597"	363.152638	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+H+CF3COOH"	115.000138
"1160438"	186.623351	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+3ACN+2H"	125.094202
"1706706"	380.179185	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+NH4+CF3COOH"	132.026685
"1642356"	385.13458	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+Na+CF3COOH"	136.98208
"1583476"	401.10852	"C07445"	"Pindolol"	"C14H20N2O2"	"248.1525"	"M+K+CF3COOH"	152.95602
"810561"	123.032	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M"	0
"980813"	104.01361	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-H2O-H"	-19.01839
"70149"	81.0140573333333	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M-3H"	-3.021828
"512992"	122.024724	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M-3H"	-3.021828
"894807"	40.0033906666667	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-3H"	-3.021828
"8279"	122.024724	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M-2H"	-2.014552
"448931"	183.540724	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M-2H"	-2.014552
"824547"	60.508724	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-2H"	-2.014552
"81257"	245.056724	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M-H"	-1.007276
"521912"	368.088724	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M-H"	-1.007276
"901901"	122.024724	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-H"	-1.007276
"54090"	262.083271	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M-2H+NH4"	16.019271
"499120"	385.115271	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M-2H+NH4"	16.019271
"875826"	139.051271	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-2H+NH4"	16.019271
"43727"	267.038666	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M-2H+Na"	20.974666
"483290"	390.070666	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M-2H+Na"	20.974666
"858903"	144.006666	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-2H+Na"	20.974666
"1621145"	144.006666	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Na-2H"	20.974666
"100593"	140.013063	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M-H+Cl"	33.962126
"544528"	201.529063	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M-H+Cl"	33.962126
"935861"	78.497063	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-H+Cl"	33.962126
"275510"	281.033402	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+Cl"	34.969402
"663557"	404.065402	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+Cl"	34.969402
"1279243"	158.001402	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Cl"	34.969402
"19609"	283.012606	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M-2H+K"	36.948606
"459169"	406.044606	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M-2H+K"	36.948606
"835147"	159.980606	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-2H+K"	36.948606
"1560826"	159.980606	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+K-2H"	36.948606
"946154"	168.030194	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-H+HCOOH"	44.998194
"366925"	291.062201	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+HCOOH-H"	44.998201
"350809"	305.077851	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+Hac-H"	59.013851
"1497087"	182.045851	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Hac-H"	59.013851
"962445"	190.012151	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-H+NaCOOH"	66.980151
"112807"	158.001402	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+2Cl"	69.938804
"554922"	219.517402	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+2Cl"	69.938804
"1025180"	96.485402	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2Cl"	69.938804
"1245487"	201.950885	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Br"	78.918885
"1312679"	204.006872	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Cl+HCOOH"	80.974872
"1327988"	225.988829	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Cl+NaCOOH"	102.956829
"916858"	236.017586	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M-H+CF3COOH"	112.985586
"1299037"	271.994264	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Cl+CF3COOH"	148.962264
"1372092"	88.019324	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H-2H2O"	-35.012676
"1392505"	106.0293	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H-H2O"	-17.0027
"286365"	247.071276	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+H"	1.007276
"676961"	370.103276	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+H"	1.007276
"1354407"	124.039276	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H"	1.007276
"130576"	124.039276	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+2H"	2.014552
"571231"	185.555276	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+2H"	2.014552
"1043309"	62.523276	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2H"	2.014552
"208293"	83.0286093333333	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+3H"	3.021828
"644936"	124.039276	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+3H"	3.021828
"1164513"	42.0179426666667	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+3H"	3.021828
"426708"	264.097823	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+NH4"	18.033823
"792074"	387.129823	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+NH4"	18.033823
"1690590"	141.065823	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+NH4"	18.033823
"334499"	132.5525495	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+H+NH4"	19.041099
"726916"	194.0685495	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+H+NH4"	19.041099
"1477817"	71.0365495	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H+NH4"	19.041099
"405987"	269.053218	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+Na"	22.989218
"768079"	392.085218	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+Na"	22.989218
"1617030"	146.021218	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Na"	22.989218
"326214"	135.030247	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+H+Na"	23.996494
"721436"	196.546247	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+H+Na"	23.996494
"1475017"	73.514247	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H+Na"	23.996494
"1066076"	49.3452566666667	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2H+Na"	25.00377
"1271763"	156.065486	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+CH3OH+H"	33.033486
"388150"	285.027158	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+K"	38.963158
"748050"	408.059158	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+K"	38.963158
"1552292"	161.995158	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+K"	38.963158
"313478"	143.017217	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+H+K"	39.970434
"706834"	204.533217	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+H+K"	39.970434
"1460692"	81.501217	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H+K"	39.970434
"249784"	288.097826	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+ACN+H"	42.033826
"1224310"	165.065826	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+ACN+H"	42.033826
"1206369"	83.036551	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+ACN+2H"	43.041102
"199237"	291.03516	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+2Na-H"	44.97116
"636611"	414.06716	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+2Na-H"	44.97116
"1144135"	168.00316	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2Na-H"	44.97116
"178311"	146.021218	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+2Na"	45.978436
"626622"	207.537218	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+2Na"	45.978436
"1127576"	84.505218	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2Na"	45.978436
"1408913"	56.6725706666667	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H+2Na"	46.985712
"1438841"	170.044746	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H+HCOOH"	47.012746
"230722"	151.05424	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+3H2O+2H"	56.04448
"1512590"	184.09679	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+IsoProp+H"	61.06479
"414095"	154.008188	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+Na+K"	61.952376
"773632"	215.524188	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+Na+K"	61.952376
"1667047"	92.492188	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Na+K"	61.952376
"252834"	310.079768	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+ACN+Na"	64.015768
"1228097"	187.047768	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+ACN+Na"	64.015768
"1714434"	187.071293	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+NH4+HCOOH"	64.039293
"1180513"	63.9998846666667	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+3Na"	68.967654
"1654787"	192.026688	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Na+HCOOH"	68.994688
"161647"	322.98304	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+2K-H"	76.91904
"600114"	446.01504	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+2K-H"	76.91904
"1090096"	199.95104	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2K-H"	76.91904
"145819"	161.995158	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"2M+2K"	77.926316
"594132"	223.511158	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"3M+2K"	77.926316
"1075362"	100.479158	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2K"	77.926316
"1108569"	201.965592	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2K+H"	78.933592
"1347146"	202.053207	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+DMSO+H"	79.021207
"1018959"	206.092376	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2ACN+H"	83.060376
"1534902"	207.086008	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+IsoProp+Na+H"	84.054008
"1003173"	103.549826	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+2ACN+2H"	84.067652
"1600956"	208.000628	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+K+HCOOH"	84.968628
"1427343"	238.032138	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+H+CF3COOH"	115.000138
"1152892"	124.063101	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+3ACN+2H"	125.094202
"1704629"	255.058685	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+NH4+CF3COOH"	132.026685
"1642466"	260.01408	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+Na+CF3COOH"	136.98208
"1583586"	275.98802	"C07446"	"Isonicotinic acid"	"C6H5NO2"	"123.032"	"M+K+CF3COOH"	152.95602
"804110"	74.048	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M"	0
"980923"	55.02961	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-H2O-H"	-19.01839
"66978"	48.3580573333333	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M-3H"	-3.021828
"512009"	73.040724	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M-3H"	-3.021828
"892000"	23.6753906666667	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-3H"	-3.021828
"7296"	73.040724	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M-2H"	-2.014552
"449041"	110.064724	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M-2H"	-2.014552
"823564"	36.016724	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-2H"	-2.014552
"81367"	147.088724	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M-H"	-1.007276
"524209"	221.136724	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M-H"	-1.007276
"902011"	73.040724	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-H"	-1.007276
"54200"	164.115271	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M-2H+NH4"	16.019271
"499958"	238.163271	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M-2H+NH4"	16.019271
"872656"	90.067271	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-2H+NH4"	16.019271
"43837"	169.070666	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M-2H+Na"	20.974666
"483402"	243.118666	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M-2H+Na"	20.974666
"859013"	95.022666	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-2H+Na"	20.974666
"1620891"	95.022666	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Na-2H"	20.974666
"103984"	91.029063	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M-H+Cl"	33.962126
"543545"	128.053063	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M-H+Cl"	33.962126
"933785"	54.005063	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-H+Cl"	33.962126
"276713"	183.065402	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+Cl"	34.969402
"662574"	257.113402	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+Cl"	34.969402
"1277166"	109.017402	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Cl"	34.969402
"16070"	185.044606	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M-2H+K"	36.948606
"458307"	259.092606	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M-2H+K"	36.948606
"834042"	110.996606	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-2H+K"	36.948606
"1561662"	110.996606	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+K-2H"	36.948606
"947358"	119.046194	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-H+HCOOH"	44.998194
"365940"	193.094201	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+HCOOH-H"	44.998201
"348366"	207.109851	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+Hac-H"	59.013851
"1496104"	133.061851	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Hac-H"	59.013851
"960002"	141.028151	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-H+NaCOOH"	66.980151
"111217"	109.017402	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+2Cl"	69.938804
"553209"	146.041402	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+2Cl"	69.938804
"1022737"	71.993402	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2Cl"	69.938804
"1243045"	152.966885	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Br"	78.918885
"1305981"	155.022872	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Cl+HCOOH"	80.974872
"1322263"	177.004829	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Cl+NaCOOH"	102.956829
"913442"	187.033586	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M-H+CF3COOH"	112.985586
"1295864"	223.010264	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Cl+CF3COOH"	148.962264
"1371838"	39.035324	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H-2H2O"	-35.012676
"1388241"	57.0453	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H-H2O"	-17.0027
"287568"	149.103276	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+H"	1.007276
"678166"	223.151276	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+H"	1.007276
"1354516"	75.055276	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H"	1.007276
"133602"	75.055276	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+2H"	2.014552
"572433"	112.079276	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+2H"	2.014552
"1043419"	38.031276	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2H"	2.014552
"209132"	50.3726093333333	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+3H"	3.021828
"644924"	75.055276	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+3H"	3.021828
"1165716"	25.6899426666667	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+3H"	3.021828
"426818"	166.129823	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+NH4"	18.033823
"794370"	240.177823	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+NH4"	18.033823
"1690700"	92.081823	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+NH4"	18.033823
"335700"	83.5685495	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+H+NH4"	19.041099
"729213"	120.5925495	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+H+NH4"	19.041099
"1479387"	46.5445495	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H+NH4"	19.041099
"406097"	171.085218	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+Na"	22.989218
"765998"	245.133218	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+Na"	22.989218
"1616289"	97.037218	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Na"	22.989218
"323042"	86.046247	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+H+Na"	23.996494
"719479"	123.070247	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+H+Na"	23.996494
"1470388"	49.022247	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H+Na"	23.996494
"1062540"	33.0172566666667	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2H+Na"	25.00377
"1266404"	107.081486	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+CH3OH+H"	33.033486
"387163"	187.059158	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+K"	38.963158
"750343"	261.107158	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+K"	38.963158
"1551304"	113.011158	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+K"	38.963158
"309576"	94.033217	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+H+K"	39.970434
"701993"	131.057217	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+H+K"	39.970434
"1458001"	57.009217	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H+K"	39.970434
"248793"	190.129826	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+ACN+H"	42.033826
"1221867"	116.081826	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+ACN+H"	42.033826
"1205020"	58.544551	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+ACN+2H"	43.041102
"196067"	193.06716	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+2Na-H"	44.97116
"637813"	267.11516	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+2Na-H"	44.97116
"1136955"	119.01916	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2Na-H"	44.97116
"176234"	97.037218	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+2Na"	45.978436
"617253"	134.061218	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+2Na"	45.978436
"1121124"	60.013218	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2Na"	45.978436
"1400636"	40.3445706666667	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H+2Na"	46.985712
"1432023"	121.060746	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H+HCOOH"	47.012746
"227551"	102.07024	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+3H2O+2H"	56.04448
"1508805"	135.11279	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+IsoProp+H"	61.06479
"409464"	105.024188	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+Na+K"	61.952376
"770498"	142.048188	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+Na+K"	61.952376
"1667156"	68.000188	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Na+K"	61.952376
"251683"	212.111768	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+ACN+Na"	64.015768
"1226094"	138.063768	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+ACN+Na"	64.015768
"1713446"	138.087293	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+NH4+HCOOH"	64.039293
"1179527"	47.6718846666667	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+3Na"	68.967654
"1651243"	143.042688	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Na+HCOOH"	68.994688
"159204"	225.01504	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+2K-H"	76.91904
"600222"	299.06304	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+2K-H"	76.91904
"1088018"	150.96704	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2K-H"	76.91904
"143742"	113.011158	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"2M+2K"	77.926316
"592055"	150.035158	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"3M+2K"	77.926316
"1077658"	75.987158	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2K"	77.926316
"1105399"	152.981592	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2K+H"	78.933592
"1346162"	153.069207	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+DMSO+H"	79.021207
"1015789"	157.108376	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2ACN+H"	83.060376
"1536103"	158.102008	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+IsoProp+Na+H"	84.054008
"1000362"	79.057826	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+2ACN+2H"	84.067652
"1600702"	159.016628	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+K+HCOOH"	84.968628
"1427453"	189.048138	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+H+CF3COOH"	115.000138
"1150814"	99.571101	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+3ACN+2H"	125.094202
"1704739"	206.074685	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+NH4+CF3COOH"	132.026685
"1642576"	211.03008	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+Na+CF3COOH"	136.98208
"1583696"	227.00402	"C07447"	"Acetylhydrazine"	"C2H6N2O"	"74.048"	"M+K+CF3COOH"	152.95602
"810781"	212.1096	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M"	0
"981033"	193.09121	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-H2O-H"	-19.01839
"67088"	140.399124	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M-3H"	-3.021828
"514305"	211.102324	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M-3H"	-3.021828
"893203"	69.695924	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-3H"	-3.021828
"7406"	211.102324	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M-2H"	-2.014552
"450244"	317.157124	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M-2H"	-2.014552
"824767"	105.047524	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-2H"	-2.014552
"82570"	423.211924	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M-H"	-1.007276
"524319"	635.321524	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M-H"	-1.007276
"902121"	211.102324	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-H"	-1.007276
"54310"	440.238471	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M-2H+NH4"	16.019271
"500068"	652.348071	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M-2H+NH4"	16.019271
"872766"	228.128871	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-2H+NH4"	16.019271
"43947"	445.193866	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M-2H+Na"	20.974666
"483510"	657.303466	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M-2H+Na"	20.974666
"855843"	233.084266	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-2H+Na"	20.974666
"1623188"	233.084266	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Na-2H"	20.974666
"104094"	229.090663	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M-H+Cl"	33.962126
"545841"	335.145463	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M-H+Cl"	33.962126
"933894"	123.035863	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-H+Cl"	33.962126
"274637"	459.188602	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+Cl"	34.969402
"661590"	671.298202	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+Cl"	34.969402
"1277276"	247.079002	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Cl"	34.969402
"22017"	461.167806	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M-2H+K"	36.948606
"460482"	673.277406	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M-2H+K"	36.948606
"834152"	249.058206	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-2H+K"	36.948606
"1563958"	249.058206	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+K-2H"	36.948606
"947468"	257.107794	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-H+HCOOH"	44.998194
"365685"	469.217401	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+HCOOH-H"	44.998201
"352122"	483.233051	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+Hac-H"	59.013851
"1496214"	271.123451	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Hac-H"	59.013851
"963757"	279.089751	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-H+NaCOOH"	66.980151
"110267"	247.079002	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+2Cl"	69.938804
"554047"	353.133802	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+2Cl"	69.938804
"1023211"	141.024202	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2Cl"	69.938804
"1243519"	291.028485	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Br"	78.918885
"1304630"	293.084472	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Cl+HCOOH"	80.974872
"1323101"	315.066429	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Cl+NaCOOH"	102.956829
"913798"	325.095186	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M-H+CF3COOH"	112.985586
"1292694"	361.071864	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Cl+CF3COOH"	148.962264
"1369032"	177.096924	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H-2H2O"	-35.012676
"1385435"	195.1069	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H-H2O"	-17.0027
"288406"	425.226476	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+H"	1.007276
"677546"	637.336076	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+H"	1.007276
"1354624"	213.116876	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H"	1.007276
"130794"	213.116876	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+2H"	2.014552
"568531"	319.171676	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+2H"	2.014552
"1039153"	107.062076	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2H"	2.014552
"204865"	142.413676	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+3H"	3.021828
"645881"	213.116876	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+3H"	3.021828
"1164005"	71.710476	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+3H"	3.021828
"432393"	442.253023	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+NH4"	18.033823
"794480"	654.362623	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+NH4"	18.033823
"1689716"	230.143423	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+NH4"	18.033823
"339089"	221.6301495	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+H+NH4"	19.041099
"726042"	327.6849495	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+H+NH4"	19.041099
"1482049"	115.5753495	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H+NH4"	19.041099
"408195"	447.208418	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+Na"	22.989218
"767202"	659.318018	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+Na"	22.989218
"1615306"	235.098818	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Na"	22.989218
"327527"	224.107847	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+H+Na"	23.996494
"719951"	330.162647	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+H+Na"	23.996494
"1471591"	118.053047	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H+Na"	23.996494
"1063743"	79.03779	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2H+Na"	25.00377
"1267608"	245.143086	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+CH3OH+H"	33.033486
"388365"	463.182358	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+K"	38.963158
"751546"	675.291958	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+K"	38.963158
"1554898"	251.072758	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+K"	38.963158
"311874"	232.094817	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+H+K"	39.970434
"703196"	338.149617	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+H+K"	39.970434
"1459204"	126.040017	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H+K"	39.970434
"247810"	466.253026	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+ACN+H"	42.033826
"1220518"	254.143426	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+ACN+H"	42.033826
"1204400"	127.575351	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+ACN+2H"	43.041102
"199455"	469.19036	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+2Na-H"	44.97116
"637922"	681.29996	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+2Na-H"	44.97116
"1143626"	257.08076	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2Na-H"	44.97116
"183635"	235.098818	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+2Na"	45.978436
"622102"	341.153618	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+2Na"	45.978436
"1120141"	129.044018	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2Na"	45.978436
"1400745"	86.365104	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H+2Na"	46.985712
"1435049"	259.122346	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H+HCOOH"	47.012746
"225837"	240.13184	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+3H2O+2H"	56.04448
"1508793"	273.17439	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+IsoProp+H"	61.06479
"408960"	243.085788	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+Na+K"	61.952376
"770239"	349.140588	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+Na+K"	61.952376
"1665918"	137.030988	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Na+K"	61.952376
"251457"	488.234968	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+ACN+Na"	64.015768
"1225669"	276.125368	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+ACN+Na"	64.015768
"1712799"	276.148893	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+NH4+HCOOH"	64.039293
"1178585"	93.692418	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+3Na"	68.967654
"1649981"	281.104288	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Na+HCOOH"	68.994688
"158580"	501.13824	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+2K-H"	76.91904
"599239"	713.24784	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+2K-H"	76.91904
"1088128"	289.02864	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2K-H"	76.91904
"144945"	251.072758	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"2M+2K"	77.926316
"594351"	357.127558	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"3M+2K"	77.926316
"1075581"	145.017958	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2K"	77.926316
"1102228"	291.043192	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2K+H"	78.933592
"1345178"	291.130807	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+DMSO+H"	79.021207
"1014807"	295.169976	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2ACN+H"	83.060376
"1535118"	296.163608	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+IsoProp+Na+H"	84.054008
"1000472"	148.088626	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+2ACN+2H"	84.067652
"1599352"	297.078228	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+K+HCOOH"	84.968628
"1425011"	327.109738	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+H+CF3COOH"	115.000138
"1150924"	168.601901	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+3ACN+2H"	125.094202
"1704849"	344.136285	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+NH4+CF3COOH"	132.026685
"1636490"	349.09168	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+Na+CF3COOH"	136.98208
"1583806"	365.06562	"C07448"	"Burimamide"	"C9H16N4S"	"212.1096"	"M+K+CF3COOH"	152.95602
"817057"	244.0816	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M"	0
"989837"	225.06321	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-H2O-H"	-19.01839
"77043"	161.713790666667	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M-3H"	-3.021828
"516604"	243.074324	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M-3H"	-3.021828
"894046"	80.3532573333333	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-3H"	-3.021828
"14075"	243.074324	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M-2H"	-2.014552
"449989"	365.115124	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M-2H"	-2.014552
"825971"	121.033524	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-2H"	-2.014552
"82680"	487.155924	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M-H"	-1.007276
"524429"	731.237524	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M-H"	-1.007276
"902231"	243.074324	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-H"	-1.007276
"54420"	504.182471	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M-2H+NH4"	16.019271
"501271"	748.264071	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M-2H+NH4"	16.019271
"872876"	260.100871	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-2H+NH4"	16.019271
"43693"	509.137866	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M-2H+Na"	20.974666
"482527"	753.219466	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M-2H+Na"	20.974666
"855953"	265.056266	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-2H+Na"	20.974666
"1626578"	265.056266	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Na-2H"	20.974666
"104204"	261.062663	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M-H+Cl"	33.962126
"547047"	383.103463	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M-H+Cl"	33.962126
"935098"	139.021863	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-H+Cl"	33.962126
"273654"	523.132602	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+Cl"	34.969402
"662428"	767.214202	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+Cl"	34.969402
"1275199"	279.051002	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Cl"	34.969402
"21034"	525.111806	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M-2H+K"	36.948606
"462780"	769.193406	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M-2H+K"	36.948606
"834262"	281.030206	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-2H+K"	36.948606
"1561882"	281.030206	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+K-2H"	36.948606
"951952"	289.079794	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-H+HCOOH"	44.998194
"368347"	533.161401	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+HCOOH-H"	44.998201
"353325"	547.177051	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+Hac-H"	59.013851
"1498146"	303.095451	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Hac-H"	59.013851
"963867"	311.061751	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-H+NaCOOH"	66.980151
"113867"	279.051002	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+2Cl"	69.938804
"553792"	401.091802	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+2Cl"	69.938804
"1023322"	157.010202	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2Cl"	69.938804
"1241927"	323.000485	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Br"	78.918885
"1304986"	325.056472	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Cl+HCOOH"	80.974872
"1322118"	347.038429	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Cl+NaCOOH"	102.956829
"913179"	357.067186	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M-H+CF3COOH"	112.985586
"1294991"	393.043864	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Cl+CF3COOH"	148.962264
"1369506"	209.068924	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H-2H2O"	-35.012676
"1385909"	227.0789	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H-H2O"	-17.0027
"289247"	489.170476	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+H"	1.007276
"680574"	733.252076	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+H"	1.007276
"1358017"	245.088876	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H"	1.007276
"131999"	245.088876	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+2H"	2.014552
"573746"	367.129676	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+2H"	2.014552
"1042544"	123.048076	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2H"	2.014552
"205343"	163.728342666667	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+3H"	3.021828
"645632"	245.088876	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+3H"	3.021828
"1165944"	82.3678093333333	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+3H"	3.021828
"431413"	506.197023	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+NH4"	18.033823
"795687"	750.278623	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+NH4"	18.033823
"1693108"	262.115423	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+NH4"	18.033823
"338108"	253.6021495	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+H+NH4"	19.041099
"723720"	375.6429495	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+H+NH4"	19.041099
"1482159"	131.5613495	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H+NH4"	19.041099
"408345"	511.152418	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+Na"	22.989218
"769786"	755.234018	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+Na"	22.989218
"1617851"	267.070818	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Na"	22.989218
"326910"	256.079847	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+H+Na"	23.996494
"721158"	378.120647	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+H+Na"	23.996494
"1475716"	134.039047	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H+Na"	23.996494
"1063860"	89.6951233333333	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2H+Na"	25.00377
"1271002"	277.115086	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+CH3OH+H"	33.033486
"385199"	527.126358	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+K"	38.963158
"751294"	771.207958	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+K"	38.963158
"1553349"	283.044758	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+K"	38.963158
"309796"	264.066817	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+H+K"	39.970434
"706184"	386.107617	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+H+K"	39.970434
"1459314"	142.026017	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H+K"	39.970434
"249013"	530.197026	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+ACN+H"	42.033826
"1222087"	286.115426	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+ACN+H"	42.033826
"1205239"	143.561351	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+ACN+2H"	43.041102
"200659"	533.13436	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+2Na-H"	44.97116
"634752"	777.21596	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+2Na-H"	44.97116
"1136079"	289.05276	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2Na-H"	44.97116
"175360"	267.070818	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+2Na"	45.978436
"618567"	389.111618	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+2Na"	45.978436
"1120980"	145.030018	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2Na"	45.978436
"1404868"	97.0224373333333	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H+2Na"	46.985712
"1439172"	291.094346	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H+HCOOH"	47.012746
"231051"	272.10384	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+3H2O+2H"	56.04448
"1521303"	305.14639	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+IsoProp+H"	61.06479
"411511"	275.057788	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+Na+K"	61.952376
"774328"	397.098588	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+Na+K"	61.952376
"1668473"	153.016988	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Na+K"	61.952376
"252560"	552.178968	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+ACN+Na"	64.015768
"1227336"	308.097368	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+ACN+Na"	64.015768
"1713301"	308.120893	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+NH4+HCOOH"	64.039293
"1178601"	104.349751333333	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+3Na"	68.967654
"1650076"	313.076288	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Na+HCOOH"	68.994688
"157590"	565.08224	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+2K-H"	76.91904
"605916"	809.16384	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+2K-H"	76.91904
"1088240"	321.00064	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2K-H"	76.91904
"145055"	283.044758	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"2M+2K"	77.926316
"587897"	405.085558	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"3M+2K"	77.926316
"1075691"	161.003958	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2K"	77.926316
"1102338"	323.015192	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2K+H"	78.933592
"1349663"	323.102807	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+DMSO+H"	79.021207
"1016743"	327.141976	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2ACN+H"	83.060376
"1537780"	328.135608	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+IsoProp+Na+H"	84.054008
"1002770"	164.074626	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+2ACN+2H"	84.067652
"1587921"	329.050228	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+K+HCOOH"	84.968628
"1424030"	359.081738	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+H+CF3COOH"	115.000138
"1158691"	184.587901	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+3ACN+2H"	125.094202
"1708242"	376.108285	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+NH4+CF3COOH"	132.026685
"1646078"	381.06368	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+Na+CF3COOH"	136.98208
"1583916"	397.03762	"C07449"	"Metiamide"	"C9H16N4S2"	"244.0816"	"M+K+CF3COOH"	152.95602
"804440"	200.1313	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M"	0
"986723"	181.11291	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-H2O-H"	-19.01839
"73870"	132.413590666667	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M-3H"	-3.021828
"504684"	199.124024	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M-3H"	-3.021828
"895167"	65.7031573333333	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-3H"	-3.021828
"10541"	199.124024	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M-2H"	-2.014552
"444996"	299.189674	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M-2H"	-2.014552
"823894"	99.058374	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-2H"	-2.014552
"81697"	399.255324	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M-H"	-1.007276
"519193"	599.386624	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M-H"	-1.007276
"901248"	199.124024	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-H"	-1.007276
"53437"	416.281871	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M-2H+NH4"	16.019271
"487400"	616.413171	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M-2H+NH4"	16.019271
"872986"	216.150571	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-2H+NH4"	16.019271
"43439"	421.237266	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M-2H+Na"	20.974666
"483366"	621.368566	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M-2H+Na"	20.974666
"856063"	221.105966	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-2H+Na"	20.974666
"1626688"	221.105966	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Na-2H"	20.974666
"101034"	217.112363	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M-H+Cl"	33.962126
"544969"	317.178013	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M-H+Cl"	33.962126
"935208"	117.046713	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-H+Cl"	33.962126
"274857"	435.232002	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+Cl"	34.969402
"662902"	635.363302	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+Cl"	34.969402
"1275309"	235.100702	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Cl"	34.969402
"18957"	437.211206	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M-2H+K"	36.948606
"462890"	637.342506	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M-2H+K"	36.948606
"834130"	237.079906	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-2H+K"	36.948606
"1560899"	237.079906	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+K-2H"	36.948606
"948779"	245.129494	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-H+HCOOH"	44.998194
"367364"	445.260801	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+HCOOH-H"	44.998201
"351248"	459.276451	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+Hac-H"	59.013851
"1498256"	259.145151	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Hac-H"	59.013851
"962885"	267.111451	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-H+NaCOOH"	66.980151
"114342"	235.100702	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+2Cl"	69.938804
"553538"	335.166352	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+2Cl"	69.938804
"1023798"	135.035052	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2Cl"	69.938804
"1241916"	279.050185	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Br"	78.918885
"1305460"	281.106172	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Cl+HCOOH"	80.974872
"1323688"	303.088129	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Cl+NaCOOH"	102.956829
"912925"	313.116886	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M-H+CF3COOH"	112.985586
"1295101"	349.093564	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Cl+CF3COOH"	148.962264
"1369252"	165.118624	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H-2H2O"	-35.012676
"1387478"	183.1286	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H-H2O"	-17.0027
"290449"	401.269876	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+H"	1.007276
"678862"	601.401176	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+H"	1.007276
"1355941"	201.138576	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H"	1.007276
"130652"	201.138576	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+2H"	2.014552
"571670"	301.204226	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+2H"	2.014552
"1043748"	101.072926	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2H"	2.014552
"204833"	134.428142666667	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+3H"	3.021828
"644766"	201.138576	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+3H"	3.021828
"1169331"	67.7177093333333	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+3H"	3.021828
"431523"	418.296423	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+NH4"	18.033823
"794700"	618.427723	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+NH4"	18.033823
"1687750"	218.165123	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+NH4"	18.033823
"338219"	209.6518495	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+H+NH4"	19.041099
"723589"	309.7174995	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+H+NH4"	19.041099
"1478989"	109.5861995	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H+NH4"	19.041099
"407159"	423.251818	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+Na"	22.989218
"765234"	623.383118	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+Na"	22.989218
"1615894"	223.120518	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Na"	22.989218
"328841"	212.129547	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+H+Na"	23.996494
"722321"	312.195197	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+H+Na"	23.996494
"1473638"	112.063897	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H+Na"	23.996494
"1062512"	75.0450233333333	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2H+Na"	25.00377
"1271840"	233.164786	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+CH3OH+H"	33.033486
"386402"	439.225758	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+K"	38.963158
"751404"	639.357058	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+K"	38.963158
"1553095"	239.094458	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+K"	38.963158
"309906"	220.116517	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+H+K"	39.970434
"704148"	320.182167	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+H+K"	39.970434
"1457238"	120.050867	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H+K"	39.970434
"250220"	442.296426	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+ACN+H"	42.033826
"1220739"	242.165126	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+ACN+H"	42.033826
"1204620"	121.586201	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+ACN+2H"	43.041102
"198583"	445.23376	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+2Na-H"	44.97116
"637049"	645.36506	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+2Na-H"	44.97116
"1137286"	245.10246	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2Na-H"	44.97116
"177293"	223.120518	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+2Na"	45.978436
"619770"	323.186168	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+2Na"	45.978436
"1122912"	123.054868	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2Na"	45.978436
"1406072"	82.3723373333333	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H+2Na"	46.985712
"1439282"	247.144046	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H+HCOOH"	47.012746
"231161"	228.15354	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+3H2O+2H"	56.04448
"1521413"	261.19609	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+IsoProp+H"	61.06479
"410891"	231.107488	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+Na+K"	61.952376
"773345"	331.173138	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+Na+K"	61.952376
"1667490"	131.041838	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Na+K"	61.952376
"253643"	464.278368	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+ACN+Na"	64.015768
"1227446"	264.147068	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+ACN+Na"	64.015768
"1713168"	264.170593	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+NH4+HCOOH"	64.039293
"1178516"	89.6996513333333	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+3Na"	68.967654
"1649984"	269.125988	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Na+HCOOH"	68.994688
"157500"	477.18164	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+2K-H"	76.91904
"606026"	677.31294	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+2K-H"	76.91904
"1088350"	277.05034	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2K-H"	76.91904
"144072"	239.094458	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"2M+2K"	77.926316
"586914"	339.160108	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"3M+2K"	77.926316
"1074707"	139.028808	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2K"	77.926316
"1102081"	279.064892	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2K+H"	78.933592
"1349773"	279.152507	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+DMSO+H"	79.021207
"1016120"	283.191676	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2ACN+H"	83.060376
"1537525"	284.185308	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+IsoProp+Na+H"	84.054008
"1000694"	142.099476	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+2ACN+2H"	84.067652
"1588639"	285.099928	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+K+HCOOH"	84.968628
"1427420"	315.131438	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+H+CF3COOH"	115.000138
"1158801"	162.612751	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+3ACN+2H"	125.094202
"1708352"	332.157985	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+NH4+CF3COOH"	132.026685
"1646188"	337.11338	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+Na+CF3COOH"	136.98208
"1584026"	353.08732	"C07450"	"Dexmedetomidine"	"C13H16N2"	"200.1313"	"M+K+CF3COOH"	152.95602
"804550"	241.073	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M"	0
"987928"	222.05461	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-H2O-H"	-19.01839
"73616"	159.708057333333	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M-3H"	-3.021828
"508074"	240.065724	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M-3H"	-3.021828
"888065"	79.3503906666667	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-3H"	-3.021828
"7733"	240.065724	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M-2H"	-2.014552
"446200"	360.602224	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M-2H"	-2.014552
"824004"	119.529224	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-2H"	-2.014552
"81807"	481.138724	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M-H"	-1.007276
"519424"	722.211724	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M-H"	-1.007276
"901358"	240.065724	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-H"	-1.007276
"53547"	498.165271	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M-2H+NH4"	16.019271
"487306"	739.238271	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M-2H+NH4"	16.019271
"874920"	257.092271	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-2H+NH4"	16.019271
"43185"	503.120666	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M-2H+Na"	20.974666
"481654"	744.193666	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M-2H+Na"	20.974666
"860184"	262.047666	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-2H+Na"	20.974666
"1626798"	262.047666	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Na-2H"	20.974666
"102237"	258.054063	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M-H+Cl"	33.962126
"545808"	378.590563	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M-H+Cl"	33.962126
"934224"	137.517563	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-H+Cl"	33.962126
"273874"	517.115402	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+Cl"	34.969402
"662650"	758.188402	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+Cl"	34.969402
"1274690"	276.042402	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Cl"	34.969402
"19067"	519.094606	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M-2H+K"	36.948606
"463001"	760.167606	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M-2H+K"	36.948606
"836427"	278.021606	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-2H+K"	36.948606
"1561009"	278.021606	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+K-2H"	36.948606
"948889"	286.071194	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-H+HCOOH"	44.998194
"369298"	527.144201	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+HCOOH-H"	44.998201
"350994"	541.159851	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+Hac-H"	59.013851
"1498732"	300.086851	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Hac-H"	59.013851
"962995"	308.053151	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-H+NaCOOH"	66.980151
"113360"	276.042402	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+2Cl"	69.938804
"555835"	396.578902	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+2Cl"	69.938804
"1023908"	155.505902	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2Cl"	69.938804
"1241371"	319.991885	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Br"	78.918885
"1306664"	322.047872	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Cl+HCOOH"	80.974872
"1324162"	344.029829	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Cl+NaCOOH"	102.956829
"915223"	354.058586	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M-H+CF3COOH"	112.985586
"1296304"	390.035264	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Cl+CF3COOH"	148.962264
"1369726"	206.060324	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H-2H2O"	-35.012676
"1390868"	224.0703	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H-H2O"	-17.0027
"292382"	483.153276	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+H"	1.007276
"680796"	724.226276	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+H"	1.007276
"1357143"	242.080276	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H"	1.007276
"132221"	242.080276	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+2H"	2.014552
"572873"	362.616776	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+2H"	2.014552
"1042766"	121.543776	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2H"	2.014552
"205066"	161.722609333333	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+3H"	3.021828
"645726"	242.080276	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+3H"	3.021828
"1171628"	81.3649426666667	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+3H"	3.021828
"431630"	500.179823	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+NH4"	18.033823
"794810"	741.252823	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+NH4"	18.033823
"1686767"	259.106823	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+NH4"	18.033823
"339421"	250.5935495	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+H+NH4"	19.041099
"723493"	371.1300495	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+H+NH4"	19.041099
"1477157"	130.0570495	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H+NH4"	19.041099
"407878"	505.135218	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+Na"	22.989218
"765344"	746.208218	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+Na"	22.989218
"1615636"	264.062218	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Na"	22.989218
"327494"	253.071247	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+H+Na"	23.996494
"720281"	373.607747	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+H+Na"	23.996494
"1475932"	132.534747	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H+Na"	23.996494
"1066991"	88.6922566666667	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2H+Na"	25.00377
"1271221"	274.106486	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+CH3OH+H"	33.033486
"389791"	521.109158	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+K"	38.963158
"750785"	762.182158	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+K"	38.963158
"1551746"	280.036158	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+K"	38.963158
"311108"	261.058217	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+H+K"	39.970434
"701342"	381.594717	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+H+K"	39.970434
"1458077"	140.521717	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H+K"	39.970434
"247043"	524.179826	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+ACN+H"	42.033826
"1221574"	283.106826	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+ACN+H"	42.033826
"1205459"	142.057051	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+ACN+2H"	43.041102
"196505"	527.11716	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+2Na-H"	44.97116
"636065"	768.19016	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+2Na-H"	44.97116
"1139583"	286.04416	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2Na-H"	44.97116
"177768"	264.062218	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+2Na"	45.978436
"618422"	384.598718	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+2Na"	45.978436
"1125938"	143.525718	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2Na"	45.978436
"1409462"	96.0195706666667	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H+2Na"	46.985712
"1437205"	288.085746	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H+HCOOH"	47.012746
"232729"	269.09524	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+3H2O+2H"	56.04448
"1519336"	302.13779	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+IsoProp+H"	61.06479
"412461"	272.049188	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+Na+K"	61.952376
"773455"	392.585688	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+Na+K"	61.952376
"1670879"	151.512688	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Na+K"	61.952376
"255212"	546.161768	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+ACN+Na"	64.015768
"1230108"	305.088768	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+ACN+Na"	64.015768
"1713036"	305.112293	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+NH4+HCOOH"	64.039293
"1178480"	103.346884666667	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+3Na"	68.967654
"1649929"	310.067688	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Na+HCOOH"	68.994688
"157324"	559.06504	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+2K-H"	76.91904
"608323"	800.13804	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+2K-H"	76.91904
"1087367"	317.99204	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2K-H"	76.91904
"142724"	280.036158	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"2M+2K"	77.926316
"587024"	400.572658	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"3M+2K"	77.926316
"1074817"	159.499658	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2K"	77.926316
"1100369"	320.006592	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2K+H"	78.933592
"1341130"	320.094207	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+DMSO+H"	79.021207
"1016230"	324.133376	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2ACN+H"	83.060376
"1536179"	325.127008	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+IsoProp+Na+H"	84.054008
"1001897"	162.570326	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+2ACN+2H"	84.067652
"1589844"	326.041628	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+K+HCOOH"	84.968628
"1427531"	356.073138	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+H+CF3COOH"	115.000138
"1158911"	183.083601	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+3ACN+2H"	125.094202
"1708462"	373.099685	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+NH4+CF3COOH"	132.026685
"1643018"	378.05508	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+Na+CF3COOH"	136.98208
"1584136"	394.02902	"C07451"	"Moxonidine"	"C9H12ClN5O"	"241.073"	"M+K+CF3COOH"	152.95602
"807940"	253.0189	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M"	0
"989012"	234.00051	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-H2O-H"	-19.01839
"72997"	167.671990666667	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M-3H"	-3.021828
"518027"	252.011624	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M-3H"	-3.021828
"893643"	83.3323573333333	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-3H"	-3.021828
"10031"	252.011624	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M-2H"	-2.014552
"447404"	378.521074	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M-2H"	-2.014552
"821926"	125.502174	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-2H"	-2.014552
"84104"	505.030524	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M-H"	-1.007276
"519655"	758.049424	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M-H"	-1.007276
"897093"	252.011624	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-H"	-1.007276
"51469"	522.057071	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M-2H+NH4"	16.019271
"487380"	775.075971	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M-2H+NH4"	16.019271
"874300"	269.038171	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-2H+NH4"	16.019271
"41106"	527.012466	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M-2H+Na"	20.974666
"486138"	780.031366	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M-2H+Na"	20.974666
"861388"	273.993566	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-2H+Na"	20.974666
"1631284"	273.993566	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Na-2H"	20.974666
"105630"	269.999963	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M-H+Cl"	33.962126
"545557"	396.509413	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M-H+Cl"	33.962126
"933241"	143.490513	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-H+Cl"	33.962126
"275079"	541.007202	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+Cl"	34.969402
"662031"	794.026102	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+Cl"	34.969402
"1276258"	287.988302	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Cl"	34.969402
"18083"	542.986406	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M-2H+K"	36.948606
"459102"	796.005306	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M-2H+K"	36.948606
"836538"	289.967506	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-2H+K"	36.948606
"1561119"	289.967506	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+K-2H"	36.948606
"951187"	298.017094	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-H+HCOOH"	44.998194
"365032"	551.036001	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+HCOOH-H"	44.998201
"353292"	565.051651	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+Hac-H"	59.013851
"1501030"	312.032751	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Hac-H"	59.013851
"963834"	319.999051	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-H+NaCOOH"	66.980151
"114929"	287.988302	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+2Cl"	69.938804
"555581"	414.497752	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+2Cl"	69.938804
"1029125"	161.478852	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2Cl"	69.938804
"1247609"	331.937785	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Br"	78.918885
"1313339"	333.993772	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Cl+HCOOH"	80.974872
"1329742"	355.975729	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Cl+NaCOOH"	102.956829
"918614"	366.004486	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M-H+CF3COOH"	112.985586
"1295322"	401.981164	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Cl+CF3COOH"	148.962264
"1370200"	218.006224	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H-2H2O"	-35.012676
"1390978"	236.0162	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H-H2O"	-17.0027
"295045"	507.045076	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+H"	1.007276
"687465"	760.063976	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+H"	1.007276
"1363818"	254.026176	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H"	1.007276
"137800"	254.026176	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+2H"	2.014552
"576996"	380.535626	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+2H"	2.014552
"1046157"	127.516726	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2H"	2.014552
"207497"	169.686542666667	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+3H"	3.021828
"650337"	254.026176	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+3H"	3.021828
"1167370"	85.3469093333333	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+3H"	3.021828
"433927"	524.071623	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+NH4"	18.033823
"794920"	777.090523	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+NH4"	18.033823
"1686877"	271.052723	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+NH4"	18.033823
"340624"	262.5394495	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+H+NH4"	19.041099
"731955"	389.0488995	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+H+NH4"	19.041099
"1477864"	136.0299995	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H+NH4"	19.041099
"407382"	529.027018	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+Na"	22.989218
"763267"	782.045918	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+Na"	22.989218
"1615625"	276.008118	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Na"	22.989218
"324688"	265.017147	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+H+Na"	23.996494
"719906"	391.526597	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+H+Na"	23.996494
"1473858"	138.507697	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H+Na"	23.996494
"1065639"	92.6742233333333	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2H+Na"	25.00377
"1270234"	286.052386	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+CH3OH+H"	33.033486
"385525"	545.000958	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+K"	38.963158
"745426"	798.019858	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+K"	38.963158
"1550759"	291.982058	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+K"	38.963158
"310126"	273.004117	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+H+K"	39.970434
"701452"	399.513567	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+H+K"	39.970434
"1458551"	146.494667	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H+K"	39.970434
"247154"	548.071626	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+ACN+H"	42.033826
"1218768"	295.052726	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+ACN+H"	42.033826
"1204478"	148.030001	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+ACN+2H"	43.041102
"199898"	551.00896	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+2Na-H"	44.97116
"637270"	804.02786	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+2Na-H"	44.97116
"1137506"	297.99006	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2Na-H"	44.97116
"176787"	276.008118	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+2Na"	45.978436
"617439"	402.517568	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+2Na"	45.978436
"1120580"	149.498668	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2Na"	45.978436
"1403009"	100.001537333333	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H+2Na"	46.985712
"1433668"	300.031646	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H+HCOOH"	47.012746
"230288"	281.04114	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+3H2O+2H"	56.04448
"1516165"	314.08369	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+IsoProp+H"	61.06479
"411478"	283.995088	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+Na+K"	61.952376
"770768"	410.504538	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+Na+K"	61.952376
"1669895"	157.485638	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Na+K"	61.952376
"255321"	570.053568	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+ACN+Na"	64.015768
"1231313"	317.034668	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+ACN+Na"	64.015768
"1716917"	317.058193	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+NH4+HCOOH"	64.039293
"1178642"	107.328851333333	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+3Na"	68.967654
"1652158"	322.013588	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Na+HCOOH"	68.994688
"159021"	582.95684	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+2K-H"	76.91904
"606245"	835.97574	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+2K-H"	76.91904
"1087476"	329.93794	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2K-H"	76.91904
"143925"	291.982058	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"2M+2K"	77.926316
"586041"	418.491508	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"3M+2K"	77.926316
"1070183"	165.472608	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2K"	77.926316
"1101205"	331.952492	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2K+H"	78.933592
"1339054"	332.040107	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+DMSO+H"	79.021207
"1006732"	336.079276	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2ACN+H"	83.060376
"1534831"	337.072908	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+IsoProp+Na+H"	84.054008
"1001644"	168.543276	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+2ACN+2H"	84.067652
"1588131"	337.987528	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+K+HCOOH"	84.968628
"1423265"	368.019038	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+H+CF3COOH"	115.000138
"1151366"	189.056551	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+3ACN+2H"	125.094202
"1708572"	385.045585	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+NH4+CF3COOH"	132.026685
"1646409"	390.00098	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+Na+CF3COOH"	136.98208
"1584246"	405.97492	"C07452"	"Tizanidine"	"C9H8ClN5S"	"253.0189"	"M+K+CF3COOH"	152.95602
"804770"	167.0946	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M"	0
"985959"	148.07621	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"73107"	110.389124	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"515950"	166.087324	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"886096"	54.690924	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"10140"	166.087324	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"447512"	249.634624	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"823129"	82.540024	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"84213"	333.181924	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"521589"	500.276524	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"899390"	166.087324	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"50486"	350.208471	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"487532"	517.303071	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"873317"	183.113871	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"40123"	355.163866	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"484427"	522.258466	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"861498"	188.069266	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1632486"	188.069266	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"105376"	184.075663	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"546031"	267.622963	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"936631"	100.528363	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"274096"	369.158602	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"662871"	536.253202	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1276733"	202.064002	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"18558"	371.137806	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"459212"	538.232406	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"836648"	204.043206	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1561230"	204.043206	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"953484"	212.092794	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"364777"	379.187401	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"354495"	393.203051	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1501140"	226.108451	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"963944"	234.074751	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"118684"	202.064002	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"558975"	285.611302	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1029235"	118.516702	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1246990"	246.013485	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1310533"	248.069472	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1327665"	270.051429	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"924921"	280.080186	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1293609"	316.056864	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1370310"	132.081924	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1389995"	150.0919	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"296250"	335.196476	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"688667"	502.291076	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1363928"	168.101876	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"137910"	168.101876	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"577468"	251.649176	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1045174"	84.554576	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"205421"	112.403676	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"647167"	168.101876	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1168573"	56.705476	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"436223"	352.223023	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"793937"	519.317623	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1683707"	185.128423	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"339641"	176.6151495	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"730972"	260.1624495	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1484788"	93.0678495	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"405665"	357.178418	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"762284"	524.273018	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1615735"	190.083818	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"321519"	179.092847	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"719408"	262.640147	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1473966"	95.545547	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1067454"	64.03279	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1271313"	200.128086	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"386728"	373.152358	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"747722"	540.246958	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1548680"	206.057758	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"312420"	187.079817	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"699372"	270.627117	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1459025"	103.532517	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"247995"	376.223026	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1222158"	209.128426	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1206045"	105.067851	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"198914"	379.16036	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"637380"	546.25496	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1136519"	212.06576	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"176164"	190.083818	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"615360"	273.631118	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1121055"	106.536518	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1401296"	71.360104	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1437423"	214.107346	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"227848"	195.11684	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1514088"	228.15939	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"410007"	198.070788	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"770310"	281.618088	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1665706"	114.523488	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"252152"	398.204968	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1225735"	231.110368	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1712935"	231.133893	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1178529"	78.687418	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1651901"	236.089288	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"158638"	411.10824	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"599062"	578.20284	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1086125"	244.01364	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"141599"	206.057758	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"583963"	289.605058	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1069319"	122.510458	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1101679"	246.028192	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1340257"	246.115807	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1007206"	250.154976	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1532383"	251.148608	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"997745"	125.581126	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1592249"	252.063228	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1422282"	282.094738	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1151476"	146.094401	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1708682"	299.121285	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1643239"	304.07668	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1584356"	320.05062	"C07453"	"Epinine;Deoxyepinephrine"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"814721"	153.1014	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M"	0
"988258"	134.08301	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-H2O-H"	-19.01839
"73217"	101.060324	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M-3H"	-3.021828
"516797"	152.094124	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M-3H"	-3.021828
"893502"	50.026524	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-3H"	-3.021828
"14260"	152.094124	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M-2H"	-2.014552
"451998"	228.644824	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M-2H"	-2.014552
"824334"	75.543424	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-2H"	-2.014552
"86513"	305.195524	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M-H"	-1.007276
"523888"	458.296924	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M-H"	-1.007276
"899502"	152.094124	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-H"	-1.007276
"53878"	322.222071	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M-2H+NH4"	16.019271
"492345"	475.323471	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M-2H+NH4"	16.019271
"865891"	169.120671	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-2H+NH4"	16.019271
"40235"	327.177466	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M-2H+Na"	20.974666
"483808"	480.278866	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M-2H+Na"	20.974666
"861971"	174.076066	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-2H+Na"	20.974666
"1629317"	174.076066	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Na-2H"	20.974666
"105848"	170.082463	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M-H+Cl"	33.962126
"544317"	246.633163	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M-H+Cl"	33.962126
"935648"	93.531763	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-H+Cl"	33.962126
"273111"	341.172202	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+Cl"	34.969402
"664073"	494.273602	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+Cl"	34.969402
"1283405"	188.070802	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Cl"	34.969402
"18304"	343.151406	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M-2H+K"	36.948606
"459322"	496.252806	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M-2H+K"	36.948606
"840039"	190.050006	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-2H+K"	36.948606
"1562433"	190.050006	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+K-2H"	36.948606
"948126"	198.099594	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-H+HCOOH"	44.998194
"366706"	351.201001	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+HCOOH-H"	44.998201
"355334"	365.216651	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+Hac-H"	59.013851
"1497603"	212.115251	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Hac-H"	59.013851
"963326"	220.081551	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-H+NaCOOH"	66.980151
"117700"	188.070802	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+2Cl"	69.938804
"555075"	264.621502	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+2Cl"	69.938804
"1028249"	111.520102	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2Cl"	69.938804
"1245642"	232.020285	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Br"	78.918885
"1312466"	234.076272	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Cl+HCOOH"	80.974872
"1329962"	256.058229	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Cl+NaCOOH"	102.956829
"924302"	266.086986	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M-H+CF3COOH"	112.985586
"1301010"	302.063664	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Cl+CF3COOH"	148.962264
"1373337"	118.088724	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H-2H2O"	-35.012676
"1389012"	136.0987	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H-H2O"	-17.0027
"296359"	307.210076	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+H"	1.007276
"685498"	460.311476	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+H"	1.007276
"1364038"	154.108676	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H"	1.007276
"136925"	154.108676	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+2H"	2.014552
"576484"	230.659376	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+2H"	2.014552
"1046377"	77.557976	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2H"	2.014552
"212091"	103.074876	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+3H"	3.021828
"649464"	154.108676	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+3H"	3.021828
"1170870"	52.041076	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+3H"	3.021828
"434147"	324.236623	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+NH4"	18.033823
"792954"	477.338023	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+NH4"	18.033823
"1684910"	171.135223	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+NH4"	18.033823
"341938"	162.6219495	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+H+NH4"	19.041099
"726709"	239.1726495	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+H+NH4"	19.041099
"1487090"	86.0712495	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H+NH4"	19.041099
"399205"	329.192018	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+Na"	22.989218
"762394"	482.293418	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+Na"	22.989218
"1609398"	176.090618	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Na"	22.989218
"321629"	165.099647	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+H+Na"	23.996494
"718425"	241.650347	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+H+Na"	23.996494
"1474442"	88.548947	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H+Na"	23.996494
"1068009"	59.36839	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2H+Na"	25.00377
"1271180"	186.134886	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+CH3OH+H"	33.033486
"391213"	345.165958	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+K"	38.963158
"746739"	498.267358	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+K"	38.963158
"1546604"	192.064558	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+K"	38.963158
"309249"	173.086617	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+H+K"	39.970434
"701669"	249.637317	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+H+K"	39.970434
"1458771"	96.535917	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H+K"	39.970434
"248835"	348.236626	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+ACN+H"	42.033826
"1223729"	195.135226	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+ACN+H"	42.033826
"1206885"	98.071251	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+ACN+2H"	43.041102
"197931"	351.17396	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+2Na-H"	44.97116
"639679"	504.27536	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+2Na-H"	44.97116
"1138819"	198.07256	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2Na-H"	44.97116
"174329"	176.090618	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+2Na"	45.978436
"619483"	252.641318	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+2Na"	45.978436
"1124080"	99.539918	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2Na"	45.978436
"1400676"	66.695704	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H+2Na"	46.985712
"1436440"	200.114146	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H+HCOOH"	47.012746
"230508"	181.12364	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+3H2O+2H"	56.04448
"1516384"	214.16619	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+IsoProp+H"	61.06479
"411699"	184.077588	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+Na+K"	61.952376
"770623"	260.628288	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+Na+K"	61.952376
"1665898"	107.526888	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Na+K"	61.952376
"251896"	370.218568	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+ACN+Na"	64.015768
"1227159"	217.117168	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+ACN+Na"	64.015768
"1712937"	217.140693	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+NH4+HCOOH"	64.039293
"1179690"	74.023018	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+3Na"	68.967654
"1653101"	222.096088	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Na+HCOOH"	68.994688
"159963"	383.12184	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+2K-H"	76.91904
"600995"	536.22324	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+2K-H"	76.91904
"1087696"	230.02044	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2K-H"	76.91904
"143413"	192.064558	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"2M+2K"	77.926316
"584073"	268.615258	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"3M+2K"	77.926316
"1071866"	115.513858	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2K"	77.926316
"1102883"	232.034992	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2K+H"	78.933592
"1340367"	232.122607	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+DMSO+H"	79.021207
"1006952"	236.161776	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2ACN+H"	83.060376
"1525560"	237.155408	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+IsoProp+Na+H"	84.054008
"996755"	118.584526	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+2ACN+2H"	84.067652
"1590172"	238.070028	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+K+HCOOH"	84.968628
"1416926"	268.101538	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+H+CF3COOH"	115.000138
"1153774"	139.097801	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+3ACN+2H"	125.094202
"1708792"	285.128085	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+NH4+CF3COOH"	132.026685
"1643350"	290.08348	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+Na+CF3COOH"	136.98208
"1584466"	306.05742	"C07454"	"N-Guanylhistamine"	"C6H11N5"	"153.1014"	"M+K+CF3COOH"	152.95602
"804990"	227.0026	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M"	0
"981804"	207.98421	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-H2O-H"	-19.01839
"74420"	150.327790666667	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M-3H"	-3.021828
"518348"	225.995324	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M-3H"	-3.021828
"893975"	74.6602573333333	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-3H"	-3.021828
"12548"	225.995324	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M-2H"	-2.014552
"453205"	339.496624	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M-2H"	-2.014552
"824445"	112.494024	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-2H"	-2.014552
"87718"	452.997924	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M-H"	-1.007276
"526186"	680.000524	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M-H"	-1.007276
"902891"	225.995324	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-H"	-1.007276
"56176"	470.024471	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M-2H+NH4"	16.019271
"497923"	697.027071	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M-2H+NH4"	16.019271
"870256"	243.021871	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-2H+NH4"	16.019271
"43264"	474.979866	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M-2H+Na"	20.974666
"480999"	701.982466	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M-2H+Na"	20.974666
"861353"	247.977266	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-2H+Na"	20.974666
"1628334"	247.977266	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Na-2H"	20.974666
"104865"	243.983663	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M-H+Cl"	33.962126
"543334"	357.484963	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M-H+Cl"	33.962126
"934664"	130.482363	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-H+Cl"	33.962126
"271398"	488.974602	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+Cl"	34.969402
"665642"	715.977202	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+Cl"	34.969402
"1281328"	261.972002	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Cl"	34.969402
"20602"	490.953806	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M-2H+K"	36.948606
"457365"	717.956406	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M-2H+K"	36.948606
"839420"	263.951206	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-2H+K"	36.948606
"1562543"	263.951206	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+K-2H"	36.948606
"948237"	272.000794	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-H+HCOOH"	44.998194
"364628"	499.003401	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+HCOOH-H"	44.998201
"352528"	513.019051	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+Hac-H"	59.013851
"1497713"	286.016451	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Hac-H"	59.013851
"961977"	293.982751	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-H+NaCOOH"	66.980151
"113436"	261.972002	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+2Cl"	69.938804
"553360"	375.473302	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+2Cl"	69.938804
"1025076"	148.470702	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2Cl"	69.938804
"1244656"	305.921485	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Br"	78.918885
"1307834"	307.977472	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Cl+HCOOH"	80.974872
"1330072"	329.959429	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Cl+NaCOOH"	102.956829
"922224"	339.988186	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M-H+CF3COOH"	112.985586
"1293465"	375.964864	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Cl+CF3COOH"	148.962264
"1370895"	191.989924	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H-2H2O"	-35.012676
"1389122"	209.9999	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H-H2O"	-17.0027
"296469"	455.012476	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+H"	1.007276
"684514"	682.015076	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+H"	1.007276
"1364877"	228.009876	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H"	1.007276
"135942"	228.009876	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+2H"	2.014552
"577686"	341.511176	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+2H"	2.014552
"1045391"	114.508576	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2H"	2.014552
"212201"	152.342342666667	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+3H"	3.021828
"649574"	228.009876	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+3H"	3.021828
"1170980"	76.6748093333333	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+3H"	3.021828
"436443"	472.039023	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+NH4"	18.033823
"793064"	699.041623	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+NH4"	18.033823
"1683927"	245.036423	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+NH4"	18.033823
"342048"	236.5231495	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+H+NH4"	19.041099
"731191"	350.0244495	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+H+NH4"	19.041099
"1487200"	123.0218495	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H+NH4"	19.041099
"399315"	476.994418	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+Na"	22.989218
"761410"	703.997018	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+Na"	22.989218
"1609508"	249.991818	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Na"	22.989218
"325020"	239.000847	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+H+Na"	23.996494
"716348"	352.502147	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+H+Na"	23.996494
"1473816"	125.499547	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H+Na"	23.996494
"1063051"	84.0021233333333	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2H+Na"	25.00377
"1266186"	260.036086	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+CH3OH+H"	33.033486
"381480"	492.968358	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+K"	38.963158
"742474"	719.970958	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+K"	38.963158
"1543431"	265.965758	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+K"	38.963158
"309359"	246.987817	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+H+K"	39.970434
"700686"	360.489117	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+H+K"	39.970434
"1451222"	133.486517	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H+K"	39.970434
"249674"	496.039026	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+ACN+H"	42.033826
"1223111"	269.036426	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+ACN+H"	42.033826
"1206995"	135.021851	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+ACN+2H"	43.041102
"198041"	498.97636	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+2Na-H"	44.97116
"640882"	725.97896	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+2Na-H"	44.97116
"1136013"	271.97376	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2Na-H"	44.97116
"174197"	249.991818	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+2Na"	45.978436
"618499"	363.493118	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+2Na"	45.978436
"1126376"	136.490518	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2Na"	45.978436
"1400178"	91.3294373333333	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H+2Na"	46.985712
"1435457"	274.015346	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H+HCOOH"	47.012746
"227338"	255.02484	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+3H2O+2H"	56.04448
"1514308"	288.06739	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+IsoProp+H"	61.06479
"409134"	257.978788	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+Na+K"	61.952376
"770487"	371.480088	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+Na+K"	61.952376
"1665849"	144.477488	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Na+K"	61.952376
"252247"	518.020968	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+ACN+Na"	64.015768
"1227269"	291.018368	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+ACN+Na"	64.015768
"1714330"	291.041893	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+NH4+HCOOH"	64.039293
"1180414"	98.6567513333333	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+3Na"	68.967654
"1650665"	295.997288	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Na+HCOOH"	68.994688
"158255"	530.92424	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+2K-H"	76.91904
"603294"	757.92684	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+2K-H"	76.91904
"1087807"	303.92164	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2K-H"	76.91904
"144619"	265.965758	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"2M+2K"	77.926316
"584183"	379.467058	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"3M+2K"	77.926316
"1070877"	152.464458	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2K"	77.926316
"1101899"	305.936192	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2K+H"	78.933592
"1340477"	306.023807	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+DMSO+H"	79.021207
"1007913"	310.062976	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2ACN+H"	83.060376
"1526400"	311.056608	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+IsoProp+Na+H"	84.054008
"993578"	155.535126	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+2ACN+2H"	84.067652
"1590283"	311.971228	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+K+HCOOH"	84.968628
"1417036"	342.002738	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+H+CF3COOH"	115.000138
"1157164"	176.048401	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+3ACN+2H"	125.094202
"1707809"	359.029285	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+NH4+CF3COOH"	132.026685
"1643460"	363.98468	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+Na+CF3COOH"	136.98208
"1584576"	379.95862	"C07455"	"Nitroglycerin;Glyceryl trinitrate"	"C3H5N3O9"	"227.0026"	"M+K+CF3COOH"	152.95602
"808380"	236.0281	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M"	0
"983007"	217.00971	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-H2O-H"	-19.01839
"73437"	156.344790666667	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M-3H"	-3.021828
"514092"	235.020824	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M-3H"	-3.021828
"892992"	77.6687573333333	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-3H"	-3.021828
"13024"	235.020824	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M-2H"	-2.014552
"451128"	353.034874	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M-2H"	-2.014552
"822369"	117.006774	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-2H"	-2.014552
"87827"	471.048924	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M-H"	-1.007276
"524109"	707.077024	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M-H"	-1.007276
"900815"	235.020824	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-H"	-1.007276
"57380"	488.075471	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M-2H+NH4"	16.019271
"498033"	724.103571	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M-2H+NH4"	16.019271
"870366"	252.047371	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-2H+NH4"	16.019271
"41552"	493.030866	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M-2H+Na"	20.974666
"480016"	729.058966	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M-2H+Na"	20.974666
"860371"	257.002766	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-2H+Na"	20.974666
"1629903"	257.002766	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Na-2H"	20.974666
"104612"	253.009163	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M-H+Cl"	33.962126
"542350"	371.023213	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M-H+Cl"	33.962126
"936959"	134.995113	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-H+Cl"	33.962126
"275519"	507.025602	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+Cl"	34.969402
"664657"	743.053702	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+Cl"	34.969402
"1281438"	270.997502	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Cl"	34.969402
"20713"	509.004806	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M-2H+K"	36.948606
"463552"	745.032906	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M-2H+K"	36.948606
"840623"	272.976706	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-2H+K"	36.948606
"1561558"	272.976706	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+K-2H"	36.948606
"949075"	281.026294	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-H+HCOOH"	44.998194
"367292"	517.054401	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+HCOOH-H"	44.998201
"350449"	531.070051	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+Hac-H"	59.013851
"1497093"	295.041951	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Hac-H"	59.013851
"962087"	303.008251	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-H+NaCOOH"	66.980151
"112814"	270.997502	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+2Cl"	69.938804
"550916"	389.011552	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+2Cl"	69.938804
"1025186"	152.983452	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2Cl"	69.938804
"1246225"	314.946985	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Br"	78.918885
"1308311"	317.002972	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Cl+HCOOH"	80.974872
"1333463"	338.984929	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Cl+NaCOOH"	102.956829
"922334"	349.013686	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M-H+CF3COOH"	112.985586
"1296855"	384.990364	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Cl+CF3COOH"	148.962264
"1372829"	201.015424	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H-2H2O"	-35.012676
"1389233"	219.0254	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H-H2O"	-17.0027
"298420"	473.063476	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+H"	1.007276
"684624"	709.091576	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+H"	1.007276
"1364623"	237.035376	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H"	1.007276
"138604"	237.035376	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+2H"	2.014552
"577796"	355.049426	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+2H"	2.014552
"1048783"	119.021326	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2H"	2.014552
"211218"	158.359342666667	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+3H"	3.021828
"649684"	237.035376	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+3H"	3.021828
"1173277"	79.6833093333333	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+3H"	3.021828
"436553"	490.090023	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+NH4"	18.033823
"793174"	726.118123	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+NH4"	18.033823
"1684037"	254.061923	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+NH4"	18.033823
"339970"	245.5486495	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+H+NH4"	19.041099
"731302"	363.5626995	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+H+NH4"	19.041099
"1486216"	127.5345995	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H+NH4"	19.041099
"399425"	495.045418	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+Na"	22.989218
"759329"	731.073518	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+Na"	22.989218
"1610711"	259.017318	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Na"	22.989218
"322943"	248.026347	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+H+Na"	23.996494
"716458"	366.040397	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+H+Na"	23.996494
"1469186"	130.012297	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H+Na"	23.996494
"1063525"	87.0106233333333	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2H+Na"	25.00377
"1265203"	269.061586	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+CH3OH+H"	33.033486
"380497"	511.019358	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+K"	38.963158
"741856"	747.047458	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+K"	38.963158
"1545728"	274.991258	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+K"	38.963158
"310562"	256.013317	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+H+K"	39.970434
"700796"	374.027367	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+H+K"	39.970434
"1451332"	137.999267	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H+K"	39.970434
"247232"	514.090026	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+ACN+H"	42.033826
"1222854"	278.061926	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+ACN+H"	42.033826
"1206741"	139.534601	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+ACN+2H"	43.041102
"198151"	517.02736	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+2Na-H"	44.97116
"638805"	753.05546	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+2Na-H"	44.97116
"1142682"	280.99926	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2Na-H"	44.97116
"175403"	259.017318	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+2Na"	45.978436
"619702"	377.031368	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+2Na"	45.978436
"1126487"	141.003268	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2Na"	45.978436
"1404544"	94.3379373333333	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H+2Na"	46.985712
"1439942"	283.040846	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H+HCOOH"	47.012746
"226356"	264.05034	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+3H2O+2H"	56.04448
"1516605"	297.09289	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+IsoProp+H"	61.06479
"410461"	267.004288	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+Na+K"	61.952376
"771820"	385.018338	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+Na+K"	61.952376
"1667785"	148.990238	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Na+K"	61.952376
"253332"	536.071968	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+ACN+Na"	64.015768
"1227744"	300.043868	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+ACN+Na"	64.015768
"1712872"	300.067393	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+NH4+HCOOH"	64.039293
"1179673"	101.665251333333	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+3Na"	68.967654
"1650168"	305.022788	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Na+HCOOH"	68.994688
"158367"	548.97524	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+2K-H"	76.91904
"599394"	785.00334	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+2K-H"	76.91904
"1084752"	312.94714	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2K-H"	76.91904
"143512"	274.991258	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"2M+2K"	77.926316
"584292"	393.005308	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"3M+2K"	77.926316
"1070987"	156.977208	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2K"	77.926316
"1102373"	314.961692	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2K+H"	78.933592
"1339494"	315.049307	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+DMSO+H"	79.021207
"1007414"	319.088476	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2ACN+H"	83.060376
"1526874"	320.082108	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+IsoProp+Na+H"	84.054008
"993688"	160.047876	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+2ACN+2H"	84.067652
"1589664"	320.996728	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+K+HCOOH"	84.968628
"1419334"	351.028238	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+H+CF3COOH"	115.000138
"1151808"	180.561151	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+3ACN+2H"	125.094202
"1707919"	368.054785	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+NH4+CF3COOH"	132.026685
"1645757"	373.01018	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+Na+CF3COOH"	136.98208
"1584686"	388.98412	"C07456"	"Isosorbide dinitrate"	"C6H8N2O8"	"236.0281"	"M+K+CF3COOH"	152.95602
"805210"	117.079	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M"	0
"985304"	98.06061	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"65892"	77.0453906666667	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"516389"	116.071724	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"893099"	38.0190573333333	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"12766"	116.071724	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"444671"	174.611224	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"821386"	57.532224	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"87938"	233.150724	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"526406"	350.229724	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"899832"	116.071724	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"58584"	250.177271	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"497779"	367.256271	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"870476"	133.098271	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"40568"	255.132666	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"480126"	372.211666	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"859023"	138.053666	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1628920"	138.053666	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"100713"	134.060063	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"541367"	192.599563	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"937069"	75.520563	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"278910"	269.127402	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"672060"	386.206402	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1281548"	152.048402	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"26292"	271.106606	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"464757"	388.185606	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"841463"	154.027606	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1561305"	154.027606	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"948091"	162.077194	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"367403"	279.156201	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"350563"	293.171851	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1496475"	176.092851	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"965841"	184.059151	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"114748"	152.048402	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"555037"	210.587902	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1024932"	93.508902	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1244147"	195.997885	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1310608"	198.053872	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1333573"	220.035829	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"924633"	230.064586	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1302070"	266.041264	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1381691"	82.066324	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1394811"	100.0763	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"296689"	235.165276	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"689109"	352.244276	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1363270"	118.086276	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"139077"	118.086276	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"575720"	176.625776	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1043427"	59.546776	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"211328"	79.0599426666667	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"649794"	118.086276	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1166826"	40.0336093333333	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"435570"	252.191823	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"796565"	369.270823	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1685241"	135.112823	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"340080"	126.5995495	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"732506"	185.1390495	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1487420"	68.0600495	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"403910"	257.147218	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"760534"	374.226218	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1608635"	140.068218	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"323053"	129.077247	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"715476"	187.616747	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1467109"	70.537747	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1066917"	47.3609233333333	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1270783"	150.112486	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"383888"	273.121158	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"744883"	390.200158	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1543653"	156.042158	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"310308"	137.064217	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"700906"	195.603717	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1447070"	78.524717	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"246975"	276.191826	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1219320"	159.112826	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1203205"	80.060051	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"196075"	279.12916	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"636729"	396.20816	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1142792"	162.05016	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"177336"	140.068218	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"619812"	198.607718	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1126598"	81.528718	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1406841"	54.6882373333333	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1436771"	164.091746	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"226466"	145.10124	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1515623"	178.14379	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"410936"	148.055188	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"771930"	206.594688	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1668260"	89.515688	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"252956"	298.173768	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1227490"	181.094768	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1714187"	181.118293	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1180635"	62.0155513333333	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1649897"	186.073688	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"157869"	311.07704	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"600598"	428.15604	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1085836"	193.99804	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"143016"	156.042158	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"583310"	214.581658	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1070734"	97.502658	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1101756"	196.012592	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1339604"	196.100207	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1006796"	200.139376	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1527349"	201.133008	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"993799"	100.573326	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1590502"	202.047628	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1419444"	232.079138	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1158478"	121.086601	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1708029"	249.105685	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1648054"	254.06108	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1584796"	270.03502	"C07457"	"Amyl nitrite;Isoamyl nitrite"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"811881"	172.0306	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M"	0
"989184"	153.01221	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-H2O-H"	-19.01839
"67095"	113.679790666667	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M-3H"	-3.021828
"517598"	171.023324	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M-3H"	-3.021828
"892118"	56.3362573333333	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-3H"	-3.021828
"15063"	171.023324	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M-2H"	-2.014552
"444781"	257.038624	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M-2H"	-2.014552
"828783"	85.008024	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-2H"	-2.014552
"88045"	343.053924	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M-H"	-1.007276
"527609"	515.084524	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M-H"	-1.007276
"902131"	171.023324	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-H"	-1.007276
"58330"	360.080471	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M-2H+NH4"	16.019271
"498985"	532.111071	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M-2H+NH4"	16.019271
"872775"	188.049871	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-2H+NH4"	16.019271
"42502"	365.035866	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M-2H+Na"	20.974666
"479143"	537.066466	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M-2H+Na"	20.974666
"855854"	193.005266	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-2H+Na"	20.974666
"1625388"	193.005266	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Na-2H"	20.974666
"101918"	189.011663	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M-H+Cl"	33.962126
"540748"	275.026963	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M-H+Cl"	33.962126
"936086"	102.996363	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-H+Cl"	33.962126
"277928"	379.030602	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+Cl"	34.969402
"672535"	551.061202	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+Cl"	34.969402
"1282752"	207.000002	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Cl"	34.969402
"23123"	381.009806	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M-2H+K"	36.948606
"464870"	553.040406	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M-2H+K"	36.948606
"842667"	208.979206	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-2H+K"	36.948606
"1563601"	208.979206	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+K-2H"	36.948606
"950391"	217.028794	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-H+HCOOH"	44.998194
"371161"	389.059401	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+HCOOH-H"	44.998201
"353953"	403.075051	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+Hac-H"	59.013851
"1499504"	231.044451	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Hac-H"	59.013851
"962672"	239.010751	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-H+NaCOOH"	66.980151
"115954"	207.000002	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+2Cl"	69.938804
"561347"	293.015302	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+2Cl"	69.938804
"1027595"	120.984702	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2Cl"	69.938804
"1248268"	250.949485	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Br"	78.918885
"1311812"	253.005472	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Cl+HCOOH"	80.974872
"1326028"	274.987429	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Cl+NaCOOH"	102.956829
"926449"	285.016186	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M-H+CF3COOH"	112.985586
"1303932"	320.992864	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Cl+CF3COOH"	148.962264
"1381195"	137.017924	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H-2H2O"	-35.012676
"1393827"	155.0279	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H-H2O"	-17.0027
"298015"	345.068476	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+H"	1.007276
"691132"	517.099076	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+H"	1.007276
"1366055"	173.037876	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H"	1.007276
"137364"	173.037876	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+2H"	2.014552
"579111"	259.053176	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+2H"	2.014552
"1049004"	87.022576	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2H"	2.014552
"218000"	115.694342666667	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+3H"	3.021828
"657561"	173.037876	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+3H"	3.021828
"1173498"	58.3508093333333	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+3H"	3.021828
"436775"	362.095023	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+NH4"	18.033823
"799957"	534.125623	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+NH4"	18.033823
"1691912"	190.064423	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+NH4"	18.033823
"344201"	181.5511495	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+H+NH4"	19.041099
"732616"	267.5664495	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+H+NH4"	19.041099
"1490810"	95.5358495	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H+NH4"	19.041099
"404021"	367.050418	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+Na"	22.989218
"760644"	539.081018	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+Na"	22.989218
"1606560"	195.019818	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Na"	22.989218
"327537"	184.028847	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+H+Na"	23.996494
"719960"	270.044147	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+H+Na"	23.996494
"1474512"	98.013547	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H+Na"	23.996494
"1065933"	65.6781233333333	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2H+Na"	25.00377
"1269798"	205.064086	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+CH3OH+H"	33.033486
"389468"	383.024358	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+K"	38.963158
"741713"	555.054958	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+K"	38.963158
"1548138"	210.993758	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+K"	38.963158
"308596"	192.015817	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+H+K"	39.970434
"701016"	278.031117	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+H+K"	39.970434
"1452649"	106.000517	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H+K"	39.970434
"245629"	386.095026	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+ACN+H"	42.033826
"1218337"	214.064426	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+ACN+H"	42.033826
"1204408"	107.535851	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+ACN+2H"	43.041102
"195092"	389.03236	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+2Na-H"	44.97116
"636839"	561.06296	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+2Na-H"	44.97116
"1143630"	217.00176	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2Na-H"	44.97116
"179270"	195.019818	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+2Na"	45.978436
"619923"	281.035118	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+2Na"	45.978436
"1127804"	109.004518	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2Na"	45.978436
"1408045"	73.0054373333333	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H+2Na"	46.985712
"1435059"	219.043346	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H+HCOOH"	47.012746
"230952"	200.05284	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+3H2O+2H"	56.04448
"1514640"	233.09539	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+IsoProp+H"	61.06479
"412140"	203.006788	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+Na+K"	61.952376
"774227"	289.022088	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+Na+K"	61.952376
"1674931"	116.991488	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Na+K"	61.952376
"254890"	408.076968	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+ACN+Na"	64.015768
"1227963"	236.046368	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+ACN+Na"	64.015768
"1720861"	236.069893	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+NH4+HCOOH"	64.039293
"1182934"	80.3327513333333	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+3Na"	68.967654
"1652824"	241.025288	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Na+HCOOH"	68.994688
"159683"	420.98024	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+2K-H"	76.91904
"605086"	593.01084	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+2K-H"	76.91904
"1094336"	248.94964	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2K-H"	76.91904
"149326"	210.993758	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"2M+2K"	77.926316
"589980"	297.009058	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"3M+2K"	77.926316
"1073397"	124.978458	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2K"	77.926316
"1102594"	250.964192	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2K+H"	78.933592
"1342994"	251.051807	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+DMSO+H"	79.021207
"1009338"	255.090976	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2ACN+H"	83.060376
"1528555"	256.084608	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+IsoProp+Na+H"	84.054008
"992817"	128.049126	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+2ACN+2H"	84.067652
"1587818"	256.999228	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+K+HCOOH"	84.968628
"1416638"	287.030738	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+H+CF3COOH"	115.000138
"1155308"	148.562401	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+3ACN+2H"	125.094202
"1708139"	304.057285	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+NH4+CF3COOH"	132.026685
"1648164"	309.01268	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+Na+CF3COOH"	136.98208
"1584906"	324.98662	"C07458"	"Sulfanilamide;Sulfamine;Prontosil album"	"C6H8N2O2S"	"172.0306"	"M+K+CF3COOH"	152.95602
"806523"	303.9146	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M"	0
"983337"	284.89621	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-H2O-H"	-19.01839
"68297"	201.602457333333	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M-3H"	-3.021828
"515515"	302.907324	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M-3H"	-3.021828
"894293"	100.297590666667	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-3H"	-3.021828
"10799"	302.907324	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M-2H"	-2.014552
"449264"	454.864624	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M-2H"	-2.014552
"828164"	150.950024	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-2H"	-2.014552
"89248"	606.821924	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M-H"	-1.007276
"526626"	910.736524	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M-H"	-1.007276
"903334"	302.907324	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-H"	-1.007276
"60626"	623.848471	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M-2H+NH4"	16.019271
"500794"	927.763071	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M-2H+NH4"	16.019271
"876164"	319.933871	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-2H+NH4"	16.019271
"35315"	628.803866	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M-2H+Na"	20.974666
"484719"	932.718466	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M-2H+Na"	20.974666
"862524"	324.889266	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-2H+Na"	20.974666
"1631690"	324.889266	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Na-2H"	20.974666
"105308"	320.895663	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M-H+Cl"	33.962126
"543773"	472.852963	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M-H+Cl"	33.962126
"939475"	168.938363	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-H+Cl"	33.962126
"279132"	642.798602	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+Cl"	34.969402
"673737"	946.713202	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+Cl"	34.969402
"1283955"	338.884002	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Cl"	34.969402
"23233"	644.777806	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M-2H+K"	36.948606
"466073"	948.692406	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M-2H+K"	36.948606
"842777"	340.863206	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-2H+K"	36.948606
"1564076"	340.863206	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+K-2H"	36.948606
"953052"	348.912794	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-H+HCOOH"	44.998194
"373093"	652.827401	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+HCOOH-H"	44.998201
"352969"	666.843051	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+Hac-H"	59.013851
"1500707"	362.928451	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Hac-H"	59.013851
"968980"	370.894751	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-H+NaCOOH"	66.980151
"118250"	338.884002	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+2Cl"	69.938804
"557810"	490.841302	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+2Cl"	69.938804
"1024423"	186.926702	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2Cl"	69.938804
"1246555"	382.833485	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Br"	78.918885
"1310828"	384.889472	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Cl+HCOOH"	80.974872
"1323949"	406.871429	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Cl+NaCOOH"	102.956829
"926445"	416.900186	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M-H+CF3COOH"	112.985586
"1303507"	452.876864	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Cl+CF3COOH"	148.962264
"1376441"	268.901924	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H-2H2O"	-35.012676
"1395030"	286.9119	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H-H2O"	-17.0027
"298132"	608.836476	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+H"	1.007276
"691040"	912.751076	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+H"	1.007276
"1367002"	304.921876	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H"	1.007276
"141371"	304.921876	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+2H"	2.014552
"580924"	456.879176	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+2H"	2.014552
"1049114"	152.964576	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2H"	2.014552
"218109"	203.617009333333	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+3H"	3.021828
"658400"	304.921876	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+3H"	3.021828
"1171421"	102.312142666667	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+3H"	3.021828
"438952"	625.863023	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+NH4"	18.033823
"799339"	929.777623	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+NH4"	18.033823
"1692022"	321.948423	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+NH4"	18.033823
"338113"	313.4351495	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+H+NH4"	19.041099
"738237"	465.3924495	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+H+NH4"	19.041099
"1492716"	161.4778495	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H+NH4"	19.041099
"401945"	630.818418	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+Na"	22.989218
"765124"	934.733018	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+Na"	22.989218
"1609949"	326.903818	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Na"	22.989218
"326554"	315.912847	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+H+Na"	23.996494
"718977"	467.870147	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+H+Na"	23.996494
"1471707"	163.955547	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H+Na"	23.996494
"1061674"	109.639456666667	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2H+Na"	25.00377
"1268815"	336.948086	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+CH3OH+H"	33.033486
"386295"	646.792358	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+K"	38.963158
"746195"	950.706958	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+K"	38.963158
"1548247"	342.877758	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+K"	38.963158
"309799"	323.899817	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+H+K"	39.970434
"702219"	475.857117	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+H+K"	39.970434
"1453852"	171.942517	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H+K"	39.970434
"243552"	649.863026	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+ACN+H"	42.033826
"1221726"	345.948426	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+ACN+H"	42.033826
"1203424"	173.477851	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+ACN+2H"	43.041102
"194471"	652.80036	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+2Na-H"	44.97116
"638042"	956.71496	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+2Na-H"	44.97116
"1145077"	348.88576	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2Na-H"	44.97116
"182662"	326.903818	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+2Na"	45.978436
"622220"	478.861118	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+2Na"	45.978436
"1129007"	174.946518	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2Na"	45.978436
"1410344"	116.966770666667	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H+2Na"	46.985712
"1436992"	350.927346	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H+HCOOH"	47.012746
"231064"	331.93684	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+3H2O+2H"	56.04448
"1516938"	364.97939	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+IsoProp+H"	61.06479
"413344"	334.890788	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+Na+K"	61.952376
"775433"	486.848088	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+Na+K"	61.952376
"1675043"	182.933488	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Na+K"	61.952376
"260468"	671.844968	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+ACN+Na"	64.015768
"1237917"	367.930368	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+ACN+Na"	64.015768
"1720971"	367.953893	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+NH4+HCOOH"	64.039293
"1184137"	124.294084666667	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+3Na"	68.967654
"1652205"	372.909288	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Na+HCOOH"	68.994688
"160888"	684.74824	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+2K-H"	76.91904
"600086"	988.66284	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+2K-H"	76.91904
"1086419"	380.83364	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2K-H"	76.91904
"149436"	342.877758	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"2M+2K"	77.926316
"590090"	494.835058	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"3M+2K"	77.926316
"1072414"	190.920458	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2K"	77.926316
"1101610"	382.848192	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2K+H"	78.933592
"1343104"	382.935807	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+DMSO+H"	79.021207
"1010541"	386.974976	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2ACN+H"	83.060376
"1530852"	387.968608	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+IsoProp+Na+H"	84.054008
"991833"	193.991126	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+2ACN+2H"	84.067652
"1587560"	388.883228	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+K+HCOOH"	84.968628
"1417842"	418.914738	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+H+CF3COOH"	115.000138
"1155418"	214.504401	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+3ACN+2H"	125.094202
"1711165"	435.941285	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+NH4+CF3COOH"	132.026685
"1648274"	440.89668	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+Na+CF3COOH"	136.98208
"1585016"	456.87062	"C07459"	"Dichlorphenamide;Diclofenamide"	"C6H6Cl2N2O4S2"	"303.9146"	"M+K+CF3COOH"	152.95602
"805904"	284.9645	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M"	0
"982354"	265.94611	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-H2O-H"	-19.01839
"66585"	188.969057333333	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M-3H"	-3.021828
"514532"	283.957224	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M-3H"	-3.021828
"892335"	93.9808906666667	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-3H"	-3.021828
"7628"	283.957224	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M-2H"	-2.014552
"446094"	426.439474	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M-2H"	-2.014552
"827180"	141.474974	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-2H"	-2.014552
"89358"	568.921724	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M-H"	-1.007276
"526736"	853.886224	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M-H"	-1.007276
"904537"	283.957224	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-H"	-1.007276
"58913"	585.948271	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M-2H+NH4"	16.019271
"500660"	870.912771	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M-2H+NH4"	16.019271
"876274"	300.983771	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-2H+NH4"	16.019271
"36519"	590.903666	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M-2H+Na"	20.974666
"484829"	875.868166	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M-2H+Na"	20.974666
"856069"	305.939166	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-2H+Na"	20.974666
"1633872"	305.939166	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Na-2H"	20.974666
"105417"	301.945563	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M-H+Cl"	33.962126
"544976"	444.427813	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M-H+Cl"	33.962126
"940678"	159.463313	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-H+Cl"	33.962126
"279241"	604.898402	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+Cl"	34.969402
"674576"	889.862902	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+Cl"	34.969402
"1285159"	319.933902	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Cl"	34.969402
"24434"	606.877606	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M-2H+K"	36.948606
"466183"	891.842106	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M-2H+K"	36.948606
"843980"	321.913106	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-2H+K"	36.948606
"1564186"	321.913106	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+K-2H"	36.948606
"953162"	329.962694	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-H+HCOOH"	44.998194
"372473"	614.927201	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+HCOOH-H"	44.998201
"354902"	628.942851	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+Hac-H"	59.013851
"1500817"	343.978351	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Hac-H"	59.013851
"965079"	351.944651	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-H+NaCOOH"	66.980151
"117266"	319.933902	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+2Cl"	69.938804
"553908"	462.416152	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+2Cl"	69.938804
"1024169"	177.451652	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2Cl"	69.938804
"1241798"	363.883385	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Br"	78.918885
"1305103"	365.939372	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Cl+HCOOH"	80.974872
"1321872"	387.921329	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Cl+NaCOOH"	102.956829
"921683"	397.950086	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M-H+CF3COOH"	112.985586
"1296202"	433.926764	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Cl+CF3COOH"	148.962264
"1376551"	249.951824	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H-2H2O"	-35.012676
"1387486"	267.9618	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H-H2O"	-17.0027
"297017"	570.936276	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+H"	1.007276
"691246"	855.900776	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+H"	1.007276
"1365059"	285.971776	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H"	1.007276
"140748"	285.971776	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+2H"	2.014552
"581265"	428.454026	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+2H"	2.014552
"1052633"	143.489526	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2H"	2.014552
"219313"	190.983609333333	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+3H"	3.021828
"657781"	285.971776	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+3H"	3.021828
"1173718"	95.9954426666667	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+3H"	3.021828
"438819"	587.962823	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+NH4"	18.033823
"799814"	872.927323	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+NH4"	18.033823
"1692132"	302.998323	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+NH4"	18.033823
"338223"	294.4850495	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+H+NH4"	19.041099
"738148"	436.9672995	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+H+NH4"	19.041099
"1491397"	152.0027995	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H+NH4"	19.041099
"404242"	592.918218	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+Na"	22.989218
"764141"	877.882718	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+Na"	22.989218
"1608966"	307.953718	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Na"	22.989218
"321189"	296.962747	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+H+Na"	23.996494
"722003"	439.444997	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+H+Na"	23.996494
"1471817"	154.480497	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H+Na"	23.996494
"1061783"	103.322756666667	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2H+Na"	25.00377
"1270018"	317.997986	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+CH3OH+H"	33.033486
"386405"	608.892158	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+K"	38.963158
"747396"	893.856658	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+K"	38.963158
"1543982"	323.927658	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+K"	38.963158
"309909"	304.949717	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+H+K"	39.970434
"697953"	447.431967	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+H+K"	39.970434
"1453962"	162.467467	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H+K"	39.970434
"247670"	611.962826	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+ACN+H"	42.033826
"1222565"	326.998326	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+ACN+H"	42.033826
"1202441"	164.002801	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+ACN+2H"	43.041102
"193123"	614.90016	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+2Na-H"	44.97116
"638152"	899.86466	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+2Na-H"	44.97116
"1144582"	329.93566	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2Na-H"	44.97116
"187140"	307.953718	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+2Na"	45.978436
"625611"	450.435968	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+2Na"	45.978436
"1128023"	165.471468	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2Na"	45.978436
"1406079"	110.650070666667	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H+2Na"	46.985712
"1440383"	331.977246	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H+HCOOH"	47.012746
"233357"	312.98674	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+3H2O+2H"	56.04448
"1520327"	346.02929	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+IsoProp+H"	61.06479
"413817"	315.940688	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+Na+K"	61.952376
"777730"	458.422938	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+Na+K"	61.952376
"1670779"	173.458438	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Na+K"	61.952376
"255839"	633.944768	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+ACN+Na"	64.015768
"1233288"	348.980268	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+ACN+Na"	64.015768
"1718894"	349.003793	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+NH4+HCOOH"	64.039293
"1182788"	117.977384666667	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+3Na"	68.967654
"1650613"	353.959188	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Na+HCOOH"	68.994688
"159175"	646.84804	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+2K-H"	76.91904
"600196"	931.81254	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+2K-H"	76.91904
"1085800"	361.88354	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2K-H"	76.91904
"146266"	323.927658	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"2M+2K"	77.926316
"586920"	466.409908	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"3M+2K"	77.926316
"1070701"	181.445408	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2K"	77.926316
"1101720"	363.898092	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2K+H"	78.933592
"1343214"	363.985707	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+DMSO+H"	79.021207
"1009558"	368.024876	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2ACN+H"	83.060376
"1529869"	369.018508	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+IsoProp+Na+H"	84.054008
"991943"	184.516076	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+2ACN+2H"	84.067652
"1589377"	369.933128	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+K+HCOOH"	84.968628
"1420869"	399.964638	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+H+CF3COOH"	115.000138
"1157715"	205.029351	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+3ACN+2H"	125.094202
"1710546"	416.991185	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+NH4+CF3COOH"	132.026685
"1647291"	421.94658	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+Na+CF3COOH"	136.98208
"1585126"	437.92052	"C07460"	"Chloraminophenamide;4-Amino-6-chloro-13-benzenedisulfonamide"	"C6H8ClN3O4S2"	"284.9645"	"M+K+CF3COOH"	152.95602
"805650"	294.9488	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M"	0
"983557"	275.93041	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-H2O-H"	-19.01839
"66331"	195.625257333333	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M-3H"	-3.021828
"512455"	293.941524	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M-3H"	-3.021828
"891351"	97.3089906666667	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-3H"	-3.021828
"5551"	293.941524	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M-2H"	-2.014552
"446204"	441.415924	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M-2H"	-2.014552
"824008"	146.467124	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-2H"	-2.014552
"82905"	588.890324	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M-H"	-1.007276
"525750"	883.839124	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M-H"	-1.007276
"903551"	293.941524	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-H"	-1.007276
"59022"	605.916871	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M-2H+NH4"	16.019271
"499676"	900.865671	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M-2H+NH4"	16.019271
"873102"	310.968071	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-2H+NH4"	16.019271
"31430"	610.872266	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M-2H+Na"	20.974666
"483846"	905.821066	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M-2H+Na"	20.974666
"852898"	315.923466	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-2H+Na"	20.974666
"1622431"	315.923466	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Na-2H"	20.974666
"107345"	311.929863	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M-H+Cl"	33.962126
"538521"	459.404263	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M-H+Cl"	33.962126
"941639"	164.455463	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-H+Cl"	33.962126
"282387"	624.867002	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+Cl"	34.969402
"674686"	919.815802	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+Cl"	34.969402
"1285270"	329.918202	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Cl"	34.969402
"26733"	626.846206	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M-2H+K"	36.948606
"467021"	921.795006	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M-2H+K"	36.948606
"845183"	331.897406	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-2H+K"	36.948606
"1565389"	331.897406	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+K-2H"	36.948606
"954365"	339.946994	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-H+HCOOH"	44.998194
"371490"	634.895801	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+HCOOH-H"	44.998201
"356835"	648.911451	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+Hac-H"	59.013851
"1503113"	353.962651	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Hac-H"	59.013851
"967377"	361.928951	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-H+NaCOOH"	66.980151
"118470"	329.918202	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+2Cl"	69.938804
"555845"	477.392602	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+2Cl"	69.938804
"1024644"	182.443802	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2Cl"	69.938804
"1242397"	373.867685	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Br"	78.918885
"1311045"	375.923672	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Cl+HCOOH"	80.974872
"1323075"	397.905629	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Cl+NaCOOH"	102.956829
"920700"	407.934386	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M-H+CF3COOH"	112.985586
"1296312"	443.911064	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Cl+CF3COOH"	148.962264
"1377754"	259.936124	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H-2H2O"	-35.012676
"1390876"	277.9461	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H-H2O"	-17.0027
"296034"	590.904876	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+H"	1.007276
"691093"	885.853676	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+H"	1.007276
"1364804"	295.956076	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H"	1.007276
"140738"	295.956076	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+2H"	2.014552
"580661"	443.430476	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+2H"	2.014552
"1051156"	148.481676	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2H"	2.014552
"218212"	197.639809333333	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+3H"	3.021828
"657891"	295.956076	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+3H"	3.021828
"1177111"	99.3235426666667	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+3H"	3.021828
"439295"	607.931423	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+NH4"	18.033823
"800289"	902.880223	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+NH4"	18.033823
"1696380"	312.982623	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+NH4"	18.033823
"341249"	304.4693495	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+H+NH4"	19.041099
"737808"	451.9437495	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+H+NH4"	19.041099
"1491751"	156.9949495	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H+NH4"	19.041099
"404352"	612.886818	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+Na"	22.989218
"764251"	907.835618	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+Na"	22.989218
"1613442"	317.938018	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Na"	22.989218
"324574"	306.947047	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+H+Na"	23.996494
"721021"	454.421447	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+H+Na"	23.996494
"1473020"	159.472647	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H+Na"	23.996494
"1061893"	106.650856666667	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2H+Na"	25.00377
"1269035"	327.982286	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+CH3OH+H"	33.033486
"385422"	628.860758	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+K"	38.963158
"746413"	923.809558	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+K"	38.963158
"1545185"	333.911958	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+K"	38.963158
"311112"	314.934017	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+H+K"	39.970434
"695877"	462.408417	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+H+K"	39.970434
"1454072"	167.459617	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H+K"	39.970434
"248873"	631.931426	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+ACN+H"	42.033826
"1224132"	336.982626	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+ACN+H"	42.033826
"1203643"	168.994951	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+ACN+2H"	43.041102
"194691"	634.86876	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+2Na-H"	44.97116
"637530"	929.81756	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+2Na-H"	44.97116
"1146395"	339.91996	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2Na-H"	44.97116
"187738"	317.938018	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+2Na"	45.978436
"624629"	465.412418	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+2Na"	45.978436
"1129105"	170.463618	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2Na"	45.978436
"1406188"	113.978170666667	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H+2Na"	46.985712
"1440491"	341.961546	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H+HCOOH"	47.012746
"233466"	322.97104	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+3H2O+2H"	56.04448
"1519343"	356.01359	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+IsoProp+H"	61.06479
"419031"	325.924988	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+Na+K"	61.952376
"777839"	473.399388	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+Na+K"	61.952376
"1671983"	178.450588	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Na+K"	61.952376
"252668"	653.913368	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+ACN+Na"	64.015768
"1233398"	358.964568	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+ACN+Na"	64.015768
"1716816"	358.988093	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+NH4+HCOOH"	64.039293
"1181804"	121.305484666667	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+3Na"	68.967654
"1650358"	363.943488	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Na+HCOOH"	68.994688
"157664"	666.81664	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+2K-H"	76.91904
"597754"	961.76544	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+2K-H"	76.91904
"1086275"	371.86784	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2K-H"	76.91904
"142364"	333.911958	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"2M+2K"	77.926316
"583019"	481.386358	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"3M+2K"	77.926316
"1071539"	186.437558	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2K"	77.926316
"1101829"	373.882392	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2K+H"	78.933592
"1342231"	373.970007	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+DMSO+H"	79.021207
"1010761"	378.009176	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2ACN+H"	83.060376
"1529979"	379.002808	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+IsoProp+Na+H"	84.054008
"993146"	189.508226	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+2ACN+2H"	84.067652
"1595320"	379.917428	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+K+HCOOH"	84.968628
"1423165"	409.948938	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+H+CF3COOH"	115.000138
"1158919"	210.021501	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+3ACN+2H"	125.094202
"1708469"	426.975485	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+NH4+CF3COOH"	132.026685
"1646307"	431.93088	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+Na+CF3COOH"	136.98208
"1585236"	447.90482	"C07461"	"Chlorothiazide"	"C7H6ClN3O4S2"	"294.9488"	"M+K+CF3COOH"	152.95602
"805760"	471.3137	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M"	0
"982574"	452.29531	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-H2O-H"	-19.01839
"66441"	313.201857333333	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M-3H"	-3.021828
"512565"	470.306424	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M-3H"	-3.021828
"888180"	156.097290666667	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-3H"	-3.021828
"3474"	470.306424	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M-2H"	-2.014552
"443034"	705.963274	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M-2H"	-2.014552
"821201"	234.649574	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-2H"	-2.014552
"79126"	941.620124	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M-H"	-1.007276
"521120"	1412.933824	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M-H"	-1.007276
"903661"	470.306424	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-H"	-1.007276
"56946"	958.646671	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M-2H+NH4"	16.019271
"497599"	1429.960371	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M-2H+NH4"	16.019271
"873212"	487.332971	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-2H+NH4"	16.019271
"32119"	963.602066	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M-2H+Na"	20.974666
"472288"	1434.915766	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M-2H+Na"	20.974666
"848820"	492.288366	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-2H+Na"	20.974666
"1619255"	492.288366	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Na-2H"	20.974666
"107091"	488.294763	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M-H+Cl"	33.962126
"538630"	723.951613	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M-H+Cl"	33.962126
"929229"	252.637913	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-H+Cl"	33.962126
"270338"	977.596802	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+Cl"	34.969402
"673582"	1448.910502	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+Cl"	34.969402
"1282101"	506.283102	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Cl"	34.969402
"26843"	979.576006	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M-2H+K"	36.948606
"469678"	1450.889706	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M-2H+K"	36.948606
"845293"	508.262306	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-2H+K"	36.948606
"1565499"	508.262306	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+K-2H"	36.948606
"952287"	516.311894	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-H+HCOOH"	44.998194
"370504"	987.625601	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+HCOOH-H"	44.998201
"354390"	1001.641251	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+Hac-H"	59.013851
"1498848"	530.327551	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Hac-H"	59.013851
"966391"	538.293851	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-H+NaCOOH"	66.980151
"113111"	506.283102	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+2Cl"	69.938804
"553766"	741.939952	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+2Cl"	69.938804
"1023657"	270.626252	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2Cl"	69.938804
"1242990"	550.232585	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Br"	78.918885
"1306775"	552.288572	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Cl+HCOOH"	80.974872
"1320994"	574.270529	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Cl+NaCOOH"	102.956829
"913518"	584.299286	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M-H+CF3COOH"	112.985586
"1289131"	620.275964	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Cl+CF3COOH"	148.962264
"1376770"	436.301024	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H-2H2O"	-35.012676
"1388799"	454.311	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H-H2O"	-17.0027
"296144"	943.634676	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+H"	1.007276
"689660"	1414.948376	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+H"	1.007276
"1366008"	472.320976	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H"	1.007276
"141048"	472.320976	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+2H"	2.014552
"580890"	707.977826	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+2H"	2.014552
"1051266"	236.664126	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2H"	2.014552
"219779"	315.216409333333	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+3H"	3.021828
"659340"	472.320976	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+3H"	3.021828
"1177464"	158.111842666667	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+3H"	3.021828
"439040"	960.661223	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+NH4"	18.033823
"800279"	1431.974923	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+NH4"	18.033823
"1696006"	489.347523	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+NH4"	18.033823
"341723"	480.8342495	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+H+NH4"	19.041099
"737430"	716.4910995	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+H+NH4"	19.041099
"1492469"	245.1773995	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H+NH4"	19.041099
"405190"	965.616618	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+Na"	22.989218
"764361"	1436.930318	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+Na"	22.989218
"1616468"	494.302918	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Na"	22.989218
"321402"	483.311947	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+H+Na"	23.996494
"718945"	718.968797	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+H+Na"	23.996494
"1472037"	247.655097	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H+Na"	23.996494
"1059817"	165.439156666667	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2H+Na"	25.00377
"1267324"	504.347186	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+CH3OH+H"	33.033486
"387718"	981.590558	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+K"	38.963158
"745430"	1452.904258	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+K"	38.963158
"1545295"	510.276858	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+K"	38.963158
"311222"	491.298917	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+H+K"	39.970434
"694165"	726.955767	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+H+K"	39.970434
"1453089"	255.642067	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H+K"	39.970434
"248983"	984.661226	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+ACN+H"	42.033826
"1223149"	513.347526	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+ACN+H"	42.033826
"1201567"	257.177401	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+ACN+2H"	43.041102
"194437"	987.59856	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+2Na-H"	44.97116
"637276"	1458.91226	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+2Na-H"	44.97116
"1145166"	516.28486	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2Na-H"	44.97116
"187239"	494.302918	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+2Na"	45.978436
"624738"	729.959768	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+2Na"	45.978436
"1129337"	258.646068	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2Na"	45.978436
"1404475"	172.766470666667	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H+2Na"	46.985712
"1439508"	518.326446	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H+HCOOH"	47.012746
"230296"	499.33594	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+3H2O+2H"	56.04448
"1519453"	532.37849	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+IsoProp+H"	61.06479
"419140"	502.289888	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+Na+K"	61.952376
"776856"	737.946738	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+Na+K"	61.952376
"1671728"	266.633038	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Na+K"	61.952376
"251521"	1006.643168	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+ACN+Na"	64.015768
"1232414"	535.329468	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+ACN+Na"	64.015768
"1716926"	535.352993	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+NH4+HCOOH"	64.039293
"1182279"	180.093784666667	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+3Na"	68.967654
"1650062"	540.308388	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Na+HCOOH"	68.994688
"157410"	1019.54644	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+2K-H"	76.91904
"599323"	1490.86014	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+2K-H"	76.91904
"1084435"	548.23274	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2K-H"	76.91904
"141987"	510.276858	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"2M+2K"	77.926316
"582764"	745.933708	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"3M+2K"	77.926316
"1069096"	274.620008	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2K"	77.926316
"1100723"	550.247292	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2K+H"	78.933592
"1343434"	550.334907	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+DMSO+H"	79.021207
"1009778"	554.374076	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2ACN+H"	83.060376
"1526809"	555.367708	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+IsoProp+Na+H"	84.054008
"991070"	277.690676	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+2ACN+2H"	84.067652
"1595429"	556.282328	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+K+HCOOH"	84.968628
"1423275"	586.313838	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+H+CF3COOH"	115.000138
"1159029"	298.203951	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+3ACN+2H"	125.094202
"1707486"	603.340385	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+NH4+CF3COOH"	132.026685
"1646417"	608.29578	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+Na+CF3COOH"	136.98208
"1585346"	624.26972	"C07463"	"Terfenadine"	"C32H41NO2"	"471.3137"	"M+K+CF3COOH"	152.95602
"805870"	395.1645	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M"	0
"985964"	376.14611	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-H2O-H"	-19.01839
"66551"	262.435724	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M-3H"	-3.021828
"505020"	394.157224	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M-3H"	-3.021828
"882823"	130.714224	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-3H"	-3.021828
"424"	394.157224	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M-2H"	-2.014552
"440709"	591.739474	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M-2H"	-2.014552
"817905"	196.574974	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-2H"	-2.014552
"78866"	789.321724	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M-H"	-1.007276
"521958"	1184.486224	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M-H"	-1.007276
"900491"	394.157224	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-H"	-1.007276
"54868"	806.348271	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M-2H+NH4"	16.019271
"494429"	1201.512771	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M-2H+NH4"	16.019271
"867855"	411.183771	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-2H+NH4"	16.019271
"32956"	811.303666	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M-2H+Na"	20.974666
"472640"	1206.468166	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M-2H+Na"	20.974666
"849383"	416.139166	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-2H+Na"	20.974666
"1619849"	416.139166	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Na-2H"	20.974666
"100275"	412.145563	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M-H+Cl"	33.962126
"534601"	609.727813	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M-H+Cl"	33.962126
"927989"	214.563313	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-H+Cl"	33.962126
"267644"	825.298402	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+Cl"	34.969402
"675156"	1220.462902	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+Cl"	34.969402
"1285491"	430.133902	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Cl"	34.969402
"30719"	827.277606	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M-2H+K"	36.948606
"469788"	1222.442106	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M-2H+K"	36.948606
"846496"	432.113106	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-2H+K"	36.948606
"1563422"	432.113106	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+K-2H"	36.948606
"954950"	440.162694	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-H+HCOOH"	44.998194
"371707"	835.327201	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+HCOOH-H"	44.998201
"355594"	849.342851	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+Hac-H"	59.013851
"1498958"	454.178351	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Hac-H"	59.013851
"966501"	462.144651	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-H+NaCOOH"	66.980151
"113220"	430.133902	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+2Cl"	69.938804
"557156"	627.716152	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+2Cl"	69.938804
"1023767"	232.551652	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2Cl"	69.938804
"1242008"	474.083385	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Br"	78.918885
"1306522"	476.139372	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Cl+HCOOH"	80.974872
"1320738"	498.121329	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Cl+NaCOOH"	102.956829
"915450"	508.150086	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M-H+CF3COOH"	112.985586
"1294345"	544.126764	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Cl+CF3COOH"	148.962264
"1368132"	360.151824	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H-2H2O"	-35.012676
"1392189"	378.1618	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H-H2O"	-17.0027
"296254"	791.336276	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+H"	1.007276
"691302"	1186.500776	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+H"	1.007276
"1366728"	396.171776	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H"	1.007276
"140951"	396.171776	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+2H"	2.014552
"579660"	593.754026	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+2H"	2.014552
"1049553"	198.589526	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2H"	2.014552
"219654"	264.450276	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+3H"	3.021828
"655923"	396.171776	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+3H"	3.021828
"1177816"	132.728776	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+3H"	3.021828
"439515"	808.362823	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+NH4"	18.033823
"800758"	1203.527323	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+NH4"	18.033823
"1696351"	413.198323	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+NH4"	18.033823
"341833"	404.6850495	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+H+NH4"	19.041099
"734255"	602.2672995	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+H+NH4"	19.041099
"1489169"	207.1027995	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H+NH4"	19.041099
"403477"	813.318218	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+Na"	22.989218
"764471"	1208.482718	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+Na"	22.989218
"1610382"	418.153718	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Na"	22.989218
"318232"	407.162747	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+H+Na"	23.996494
"719419"	604.744997	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+H+Na"	23.996494
"1471054"	209.580497	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H+Na"	23.996494
"1062113"	140.05609	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2H+Na"	25.00377
"1267069"	428.197986	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+CH3OH+H"	33.033486
"388557"	829.292158	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+K"	38.963158
"742624"	1224.456658	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+K"	38.963158
"1543216"	434.127658	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+K"	38.963158
"309145"	415.149717	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+H+K"	39.970434
"692088"	612.731967	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+H+K"	39.970434
"1454292"	217.567467	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H+K"	39.970434
"246179"	832.362826	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+ACN+H"	42.033826
"1218887"	437.198326	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+ACN+H"	42.033826
"1202770"	219.102801	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+ACN+2H"	43.041102
"193453"	835.30016	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+2Na-H"	44.97116
"635200"	1230.46466	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+2Na-H"	44.97116
"1144182"	440.13566	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2Na-H"	44.97116
"187110"	418.153718	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+2Na"	45.978436
"624846"	615.735968	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+2Na"	45.978436
"1127259"	220.571468	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2Na"	45.978436
"1405316"	147.383404	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H+2Na"	46.985712
"1438525"	442.177246	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H+HCOOH"	47.012746
"228221"	423.18674	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+3H2O+2H"	56.04448
"1519563"	456.22929	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+IsoProp+H"	61.06479
"413417"	426.140688	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+Na+K"	61.952376
"774778"	623.722938	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+Na+K"	61.952376
"1671474"	228.558438	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Na+K"	61.952376
"255440"	854.344768	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+ACN+Na"	64.015768
"1227055"	459.180268	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+ACN+Na"	64.015768
"1718858"	459.203793	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+NH4+HCOOH"	64.039293
"1180930"	154.710718	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+3Na"	68.967654
"1650334"	464.159188	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Na+HCOOH"	68.994688
"159141"	867.24804	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+2K-H"	76.91904
"597610"	1262.41254	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+2K-H"	76.91904
"1084225"	472.08354	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2K-H"	76.91904
"141853"	434.127658	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"2M+2K"	77.926316
"581403"	631.709908	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"3M+2K"	77.926316
"1068962"	236.545408	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2K"	77.926316
"1100826"	474.098092	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2K+H"	78.933592
"1335721"	474.185707	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+DMSO+H"	79.021207
"1006239"	478.224876	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2ACN+H"	83.060376
"1524730"	479.218508	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+IsoProp+Na+H"	84.054008
"991180"	239.616076	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+2ACN+2H"	84.067652
"1596632"	480.133128	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+K+HCOOH"	84.968628
"1424478"	510.164638	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+H+CF3COOH"	115.000138
"1160232"	260.129351	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+3ACN+2H"	125.094202
"1710512"	527.191185	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+NH4+CF3COOH"	132.026685
"1647257"	532.14658	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+Na+CF3COOH"	136.98208
"1585456"	548.12052	"C07464"	"Ketanserin"	"C22H22FN3O3"	"395.1645"	"M+K+CF3COOH"	152.95602
"805980"	630.3451	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M"	0
"982794"	611.32671	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-H2O-H"	-19.01839
"65567"	419.222790666667	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M-3H"	-3.021828
"506224"	629.337824	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M-3H"	-3.021828
"880255"	209.107757333333	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-3H"	-3.021828
"768"	629.337824	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M-2H"	-2.014552
"440694"	944.510374	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M-2H"	-2.014552
"817653"	314.165274	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-2H"	-2.014552
"79336"	1259.682924	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M-H"	-1.007276
"520246"	1890.028024	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M-H"	-1.007276
"900601"	629.337824	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-H"	-1.007276
"51699"	1276.709471	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M-2H+NH4"	16.019271
"491257"	1907.054571	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M-2H+NH4"	16.019271
"867965"	646.364371	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-2H+NH4"	16.019271
"31965"	1281.664866	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M-2H+Na"	20.974666
"472017"	1912.009966	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M-2H+Na"	20.974666
"849089"	651.319766	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-2H+Na"	20.974666
"1619471"	651.319766	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Na-2H"	20.974666
"98198"	647.326163	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M-H+Cl"	33.962126
"534958"	962.498713	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M-H+Cl"	33.962126
"927976"	332.153613	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-H+Cl"	33.962126
"268001"	1295.659602	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+Cl"	34.969402
"669908"	1926.004702	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+Cl"	34.969402
"1286694"	665.314502	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Cl"	34.969402
"29249"	1297.638806	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M-2H+K"	36.948606
"470627"	1927.983906	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M-2H+K"	36.948606
"844419"	667.293706	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-2H+K"	36.948606
"1567906"	667.293706	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+K-2H"	36.948606
"952143"	675.343294	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-H+HCOOH"	44.998194
"372549"	1305.688401	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+HCOOH-H"	44.998201
"357531"	1319.704051	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+Hac-H"	59.013851
"1505630"	689.358951	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Hac-H"	59.013851
"967707"	697.325251	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-H+NaCOOH"	66.980151
"118800"	665.314502	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+2Cl"	69.938804
"557267"	980.487052	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+2Cl"	69.938804
"1027160"	350.141952	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2Cl"	69.938804
"1243089"	709.263985	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Br"	78.918885
"1306269"	711.319972	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Cl+HCOOH"	80.974872
"1321214"	733.301929	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Cl+NaCOOH"	102.956829
"913374"	743.330686	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M-H+CF3COOH"	112.985586
"1292268"	779.307364	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Cl+CF3COOH"	148.962264
"1369335"	595.332424	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H-2H2O"	-35.012676
"1387925"	613.3424	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H-H2O"	-17.0027
"296729"	1261.697476	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+H"	1.007276
"687693"	1892.042576	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+H"	1.007276
"1366512"	631.352376	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H"	1.007276
"141267"	631.352376	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+2H"	2.014552
"581195"	946.524926	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+2H"	2.014552
"1052215"	316.179826	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2H"	2.014552
"219387"	421.237342666667	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+3H"	3.021828
"656033"	631.352376	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+3H"	3.021828
"1176346"	211.122309333333	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+3H"	3.021828
"438406"	1278.724023	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+NH4"	18.033823
"800376"	1909.069123	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+NH4"	18.033823
"1695854"	648.378923	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+NH4"	18.033823
"337570"	639.8656495	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+H+NH4"	19.041099
"733272"	955.0381995	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+H+NH4"	19.041099
"1488186"	324.6930995	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H+NH4"	19.041099
"403587"	1283.679418	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+Na"	22.989218
"764582"	1914.024518	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+Na"	22.989218
"1612680"	653.334318	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Na"	22.989218
"321622"	642.343347	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+H+Na"	23.996494
"719527"	957.515897	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+H+Na"	23.996494
"1468974"	327.170797	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H+Na"	23.996494
"1063313"	218.449623333333	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2H+Na"	25.00377
"1263899"	663.378586	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+CH3OH+H"	33.033486
"381376"	1299.653358	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+K"	38.963158
"742734"	1929.998458	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+K"	38.963158
"1542596"	669.308258	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+K"	38.963158
"305975"	650.330317	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+H+K"	39.970434
"695478"	965.502867	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+H+K"	39.970434
"1448935"	335.157767	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H+K"	39.970434
"247382"	1302.724026	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+ACN+H"	42.033826
"1220090"	672.378926	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+ACN+H"	42.033826
"1201786"	336.693101	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+ACN+2H"	43.041102
"193199"	1305.66136	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+2Na-H"	44.97116
"635310"	1936.00646	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+2Na-H"	44.97116
"1144781"	675.31626	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2Na-H"	44.97116
"186611"	653.334318	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+2Na"	45.978436
"623498"	968.506868	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+2Na"	45.978436
"1128097"	338.161768	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2Na"	45.978436
"1407613"	225.776937333333	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H+2Na"	46.985712
"1438635"	677.357846	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H+HCOOH"	47.012746
"230517"	658.36734	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+3H2O+2H"	56.04448
"1518581"	691.40989	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+IsoProp+H"	61.06479
"413528"	661.321288	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+Na+K"	61.952376
"774524"	976.493838	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+Na+K"	61.952376
"1671219"	346.148738	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Na+K"	61.952376
"255550"	1324.705968	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+ACN+Na"	64.015768
"1229353"	694.360868	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+ACN+Na"	64.015768
"1718968"	694.384393	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+NH4+HCOOH"	64.039293
"1181040"	233.104251333333	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+3Na"	68.967654
"1650568"	699.339788	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Na+HCOOH"	68.994688
"159251"	1337.60924	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+2K-H"	76.91904
"597517"	1967.95434	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+2K-H"	76.91904
"1085141"	707.26414	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2K-H"	76.91904
"141719"	669.308258	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"2M+2K"	77.926316
"582247"	984.480808	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"3M+2K"	77.926316
"1069068"	354.135708	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2K"	77.926316
"1102517"	709.278692	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2K+H"	78.933592
"1337090"	709.366307	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+DMSO+H"	79.021207
"1006591"	713.405476	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2ACN+H"	83.060376
"1524717"	714.399108	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+IsoProp+Na+H"	84.054008
"992383"	357.206376	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+2ACN+2H"	84.067652
"1602449"	715.313728	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+K+HCOOH"	84.968628
"1422401"	745.345238	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+H+CF3COOH"	115.000138
"1161800"	377.719651	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+3ACN+2H"	125.094202
"1710986"	762.371785	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+NH4+CF3COOH"	132.026685
"1647731"	767.32718	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+Na+CF3COOH"	136.98208
"1585566"	783.30112	"C07465"	"Remikiren;Ro 42-5892"	"C33H50N4O6S"	"630.3451"	"M+K+CF3COOH"	152.95602
"806090"	656.4261	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M"	0
"982904"	637.40771	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-H2O-H"	-19.01839
"63446"	436.610124	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M-3H"	-3.021828
"506334"	655.418824	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M-3H"	-3.021828
"880856"	217.801424	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-3H"	-3.021828
"638"	655.418824	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M-2H"	-2.014552
"441899"	983.631874	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M-2H"	-2.014552
"818130"	327.205774	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-2H"	-2.014552
"79207"	1311.844924	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M-H"	-1.007276
"519505"	1968.271024	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M-H"	-1.007276
"900711"	655.418824	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-H"	-1.007276
"51808"	1328.871471	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M-2H+NH4"	16.019271
"488693"	1985.297571	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M-2H+NH4"	16.019271
"869169"	672.445371	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-2H+NH4"	16.019271
"31480"	1333.826866	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M-2H+Na"	20.974666
"472614"	1990.252966	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M-2H+Na"	20.974666
"849441"	677.400766	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-2H+Na"	20.974666
"1619699"	677.400766	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Na-2H"	20.974666
"96118"	673.407163	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M-H+Cl"	33.962126
"534941"	1001.620213	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M-H+Cl"	33.962126
"927487"	345.194113	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-H+Cl"	33.962126
"268115"	1347.821602	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+Cl"	34.969402
"670018"	2004.247702	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+Cl"	34.969402
"1288267"	691.395502	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Cl"	34.969402
"31351"	1349.800806	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M-2H+K"	36.948606
"471230"	2006.226906	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M-2H+K"	36.948606
"847445"	693.374706	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-2H+K"	36.948606
"1568016"	693.374706	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+K-2H"	36.948606
"952982"	701.424294	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-H+HCOOH"	44.998194
"373023"	1357.850401	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+HCOOH-H"	44.998201
"358735"	1371.866051	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+Hac-H"	59.013851
"1504646"	715.439951	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Hac-H"	59.013851
"967818"	723.406251	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-H+NaCOOH"	66.980151
"118911"	691.395502	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+2Cl"	69.938804
"558470"	1019.608552	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+2Cl"	69.938804
"1031645"	363.182452	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2Cl"	69.938804
"1244663"	735.344985	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Br"	78.918885
"1314764"	737.400972	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Cl+HCOOH"	80.974872
"1321203"	759.382929	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Cl+NaCOOH"	102.956829
"913484"	769.411686	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M-H+CF3COOH"	112.985586
"1291285"	805.388364	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Cl+CF3COOH"	148.962264
"1368352"	621.413424	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H-2H2O"	-35.012676
"1386942"	639.4234	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H-H2O"	-17.0027
"296475"	1313.859476	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+H"	1.007276
"689990"	1970.285576	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+H"	1.007276
"1366460"	657.433376	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H"	1.007276
"140687"	657.433376	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+2H"	2.014552
"581110"	985.646426	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+2H"	2.014552
"1052333"	329.220326	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2H"	2.014552
"219259"	438.624676	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+3H"	3.021828
"659059"	657.433376	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+3H"	3.021828
"1175363"	219.815976	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+3H"	3.021828
"439453"	1330.886023	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+NH4"	18.033823
"801101"	1987.312123	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+NH4"	18.033823
"1695966"	674.459923	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+NH4"	18.033823
"343878"	665.9466495	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+H+NH4"	19.041099
"738247"	994.1596995	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+H+NH4"	19.041099
"1491576"	337.7335995	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H+NH4"	19.041099
"403700"	1335.841418	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+Na"	22.989218
"764692"	1992.267518	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+Na"	22.989218
"1614977"	679.415318	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Na"	22.989218
"328293"	668.424347	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+H+Na"	23.996494
"714165"	996.637397	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+H+Na"	23.996494
"1470177"	340.211297	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H+Na"	23.996494
"1064517"	227.14329	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2H+Na"	25.00377
"1265102"	689.459586	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+CH3OH+H"	33.033486
"381486"	1351.815358	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+K"	38.963158
"742843"	2008.241458	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+K"	38.963158
"1542706"	695.389258	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+K"	38.963158
"306085"	676.411317	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+H+K"	39.970434
"695588"	1004.624367	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+H+K"	39.970434
"1446856"	348.198267	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H+K"	39.970434
"246396"	1354.886026	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+ACN+H"	42.033826
"1218011"	698.459926	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+ACN+H"	42.033826
"1204083"	349.733601	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+ACN+2H"	43.041102
"198777"	1357.82336	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+2Na-H"	44.97116
"636513"	2014.24946	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+2Na-H"	44.97116
"1146552"	701.39726	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2Na-H"	44.97116
"184410"	679.415318	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+2Na"	45.978436
"626158"	1007.628368	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+2Na"	45.978436
"1130881"	351.202268	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2Na"	45.978436
"1405535"	234.470604	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H+2Na"	46.985712
"1442753"	703.438846	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H+HCOOH"	47.012746
"232813"	684.44834	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+3H2O+2H"	56.04448
"1521971"	717.49089	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+IsoProp+H"	61.06479
"416190"	687.402288	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+Na+K"	61.952376
"774999"	1015.615338	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+Na+K"	61.952376
"1671693"	359.189238	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Na+K"	61.952376
"257119"	1376.867968	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+ACN+Na"	64.015768
"1232379"	720.441868	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+ACN+Na"	64.015768
"1718349"	720.465393	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+NH4+HCOOH"	64.039293
"1181151"	241.797918	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+3Na"	68.967654
"1650917"	725.420788	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Na+HCOOH"	68.994688
"158142"	1389.77124	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+2K-H"	76.91904
"597948"	2046.19734	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+2K-H"	76.91904
"1085009"	733.34514	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2K-H"	76.91904
"142068"	695.389258	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"2M+2K"	77.926316
"581994"	1023.602308	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"3M+2K"	77.926316
"1069788"	367.176208	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2K"	77.926316
"1102993"	735.359692	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2K+H"	78.933592
"1336712"	735.447307	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+DMSO+H"	79.021207
"1005970"	739.486476	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2ACN+H"	83.060376
"1524703"	740.480108	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+IsoProp+Na+H"	84.054008
"991032"	370.246876	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+2ACN+2H"	84.067652
"1601708"	741.394728	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+K+HCOOH"	84.968628
"1429072"	771.426238	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+H+CF3COOH"	115.000138
"1159361"	390.760151	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+3ACN+2H"	125.094202
"1712073"	788.452785	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+NH4+CF3COOH"	132.026685
"1648571"	793.40818	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+Na+CF3COOH"	136.98208
"1585676"	809.38212	"C07466"	"Enalkiren;A 64662"	"C35H56N6O6"	"656.4261"	"M+K+CF3COOH"	152.95602
"803284"	424.1457	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M"	0
"983014"	405.12731	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-H2O-H"	-19.01839
"64329"	281.756524	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M-3H"	-3.021828
"504983"	423.138424	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M-3H"	-3.021828
"881323"	140.374624	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-3H"	-3.021828
"1599"	423.138424	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M-2H"	-2.014552
"443467"	635.211274	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M-2H"	-2.014552
"817380"	211.065574	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-2H"	-2.014552
"78667"	847.284124	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M-H"	-1.007276
"521559"	1271.429824	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M-H"	-1.007276
"901185"	423.138424	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-H"	-1.007276
"53011"	864.310671	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M-2H+NH4"	16.019271
"490385"	1288.456371	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M-2H+NH4"	16.019271
"869279"	440.164971	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-2H+NH4"	16.019271
"31735"	869.266066	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M-2H+Na"	20.974666
"471627"	1293.411766	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M-2H+Na"	20.974666
"849067"	445.120366	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-2H+Na"	20.974666
"1619329"	445.120366	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Na-2H"	20.974666
"94375"	441.126763	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M-H+Cl"	33.962126
"534442"	653.199613	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M-H+Cl"	33.962126
"928574"	229.053913	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-H+Cl"	33.962126
"270414"	883.260802	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+Cl"	34.969402
"669035"	1307.406502	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+Cl"	34.969402
"1286549"	459.115102	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Cl"	34.969402
"31383"	885.240006	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M-2H+K"	36.948606
"470119"	1309.385706	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M-2H+K"	36.948606
"847677"	461.094306	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-2H+K"	36.948606
"1565939"	461.094306	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+K-2H"	36.948606
"951634"	469.143894	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-H+HCOOH"	44.998194
"369852"	893.289601	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+HCOOH-H"	44.998201
"359939"	907.305251	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+Hac-H"	59.013851
"1504756"	483.159551	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Hac-H"	59.013851
"969022"	491.125851	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-H+NaCOOH"	66.980151
"114648"	459.115102	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+2Cl"	69.938804
"555302"	671.187952	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+2Cl"	69.938804
"1027380"	247.042252	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2Cl"	69.938804
"1244774"	503.064585	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Br"	78.918885
"1308315"	505.120572	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Cl+HCOOH"	80.974872
"1320826"	527.102529	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Cl+NaCOOH"	102.956829
"916874"	537.131286	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M-H+CF3COOH"	112.985586
"1294676"	573.107964	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Cl+CF3COOH"	148.962264
"1371742"	389.133024	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H-2H2O"	-35.012676
"1393613"	407.143	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H-H2O"	-17.0027
"291112"	849.298676	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+H"	1.007276
"686814"	1273.444376	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+H"	1.007276
"1362071"	425.152976	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H"	1.007276
"140793"	425.152976	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+2H"	2.014552
"581180"	637.225826	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+2H"	2.014552
"1047692"	213.080126	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2H"	2.014552
"219486"	283.771076	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+3H"	3.021828
"656252"	425.152976	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+3H"	3.021828
"1178022"	142.389176	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+3H"	3.021828
"438385"	866.325223	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+NH4"	18.033823
"800959"	1290.470923	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+NH4"	18.033823
"1695708"	442.179523	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+NH4"	18.033823
"338883"	433.6662495	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+H+NH4"	19.041099
"738358"	645.7390995	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+H+NH4"	19.041099
"1492460"	221.5933995	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H+NH4"	19.041099
"402714"	871.280618	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+Na"	22.989218
"764802"	1295.426318	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+Na"	22.989218
"1615087"	447.134918	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Na"	22.989218
"324030"	436.143947	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+H+Na"	23.996494
"716461"	648.216797	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+H+Na"	23.996494
"1470287"	224.071097	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H+Na"	23.996494
"1060251"	149.71649	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2H+Na"	25.00377
"1266302"	457.179186	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+CH3OH+H"	33.033486
"381596"	887.254558	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+K"	38.963158
"741860"	1311.400258	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+K"	38.963158
"1543909"	463.108858	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+K"	38.963158
"299632"	444.130917	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+H+K"	39.970434
"695698"	656.203767	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+H+K"	39.970434
"1447331"	232.058067	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H+K"	39.970434
"246506"	890.325226	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+ACN+H"	42.033826
"1217028"	466.179526	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+ACN+H"	42.033826
"1203100"	233.593401	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+ACN+2H"	43.041102
"195971"	893.26256	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+2Na-H"	44.97116
"636623"	1317.40826	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+2Na-H"	44.97116
"1144510"	469.11686	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2Na-H"	44.97116
"184520"	447.134918	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+2Na"	45.978436
"624082"	659.207768	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+2Na"	45.978436
"1123576"	235.062068	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2Na"	45.978436
"1407832"	157.043804	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H+2Na"	46.985712
"1442134"	471.158446	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H+HCOOH"	47.012746
"228549"	452.16794	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+3H2O+2H"	56.04448
"1522081"	485.21049	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+IsoProp+H"	61.06479
"415207"	455.121888	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+Na+K"	61.952376
"776566"	667.194738	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+Na+K"	61.952376
"1671804"	243.049038	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Na+K"	61.952376
"256500"	912.307168	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+ACN+Na"	64.015768
"1230668"	488.161468	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+ACN+Na"	64.015768
"1719554"	488.184993	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+NH4+HCOOH"	64.039293
"1184177"	164.371118	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+3Na"	68.967654
"1652246"	493.140388	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Na+HCOOH"	68.994688
"159227"	925.21044	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+2K-H"	76.91904
"598060"	1349.35614	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+2K-H"	76.91904
"1085367"	501.06474	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2K-H"	76.91904
"142425"	463.108858	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"2M+2K"	77.926316
"582108"	675.181708	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"3M+2K"	77.926316
"1069655"	251.036008	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2K"	77.926316
"1102376"	503.079292	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2K+H"	78.933592
"1337545"	503.166907	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+DMSO+H"	79.021207
"1006081"	507.206076	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2ACN+H"	83.060376
"1525179"	508.199708	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+IsoProp+Na+H"	84.054008
"991021"	254.106676	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+2ACN+2H"	84.067652
"1602720"	509.114328	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+K+HCOOH"	84.968628
"1427725"	539.145838	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+H+CF3COOH"	115.000138
"1160563"	274.619951	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+3ACN+2H"	125.094202
"1712303"	556.172385	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+NH4+CF3COOH"	132.026685
"1648681"	561.12778	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+Na+CF3COOH"	136.98208
"1585786"	577.10172	"C07467"	"Eprosartan"	"C23H24N2O4S"	"424.1457"	"M+K+CF3COOH"	152.95602
"804123"	440.1597	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M"	0
"982031"	421.14131	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-H2O-H"	-19.01839
"63710"	292.432524	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M-3H"	-3.021828
"502959"	439.152424	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M-3H"	-3.021828
"879955"	145.712624	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-3H"	-3.021828
"131"	439.152424	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M-2H"	-2.014552
"440418"	659.232274	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M-2H"	-2.014552
"817128"	219.072574	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-2H"	-2.014552
"78659"	879.312124	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M-H"	-1.007276
"520941"	1319.471824	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M-H"	-1.007276
"898744"	439.152424	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-H"	-1.007276
"53121"	896.338671	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M-2H+NH4"	16.019271
"490493"	1336.498371	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M-2H+NH4"	16.019271
"868296"	456.178971	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-2H+NH4"	16.019271
"31472"	901.294066	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M-2H+Na"	20.974666
"471531"	1341.453766	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M-2H+Na"	20.974666
"848572"	461.134366	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-2H+Na"	20.974666
"1618667"	461.134366	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Na-2H"	20.974666
"94426"	457.140763	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M-H+Cl"	33.962126
"534328"	677.220613	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M-H+Cl"	33.962126
"927953"	237.060913	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-H+Cl"	33.962126
"267202"	915.288802	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+Cl"	34.969402
"670238"	1355.448502	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+Cl"	34.969402
"1286902"	475.129102	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Cl"	34.969402
"29580"	917.268006	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M-2H+K"	36.948606
"470228"	1357.427706	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M-2H+K"	36.948606
"845843"	477.108306	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-2H+K"	36.948606
"1564956"	477.108306	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+K-2H"	36.948606
"949558"	485.157894	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-H+HCOOH"	44.998194
"369963"	925.317601	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+HCOOH-H"	44.998201
"358226"	939.333251	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+Hac-H"	59.013851
"1503773"	499.173551	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Hac-H"	59.013851
"969132"	507.139851	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-H+NaCOOH"	66.980151
"114758"	475.129102	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+2Cl"	69.938804
"555412"	695.208952	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+2Cl"	69.938804
"1027490"	255.049252	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2Cl"	69.938804
"1242696"	519.078585	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Br"	78.918885
"1311705"	521.134572	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Cl+HCOOH"	80.974872
"1321544"	543.116529	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Cl+NaCOOH"	102.956829
"916984"	553.145286	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M-H+CF3COOH"	112.985586
"1294786"	589.121964	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Cl+CF3COOH"	148.962264
"1369665"	405.147024	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H-2H2O"	-35.012676
"1390443"	423.157	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H-H2O"	-17.0027
"291222"	881.326676	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+H"	1.007276
"686924"	1321.486376	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+H"	1.007276
"1361088"	441.166976	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H"	1.007276
"139810"	441.166976	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+2H"	2.014552
"581323"	661.246826	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+2H"	2.014552
"1047802"	221.087126	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2H"	2.014552
"216434"	294.447076	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+3H"	3.021828
"657819"	441.166976	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+3H"	3.021828
"1176673"	147.727176	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+3H"	3.021828
"436671"	898.353223	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+NH4"	18.033823
"799488"	1338.512923	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+NH4"	18.033823
"1695454"	458.193523	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+NH4"	18.033823
"344097"	449.6802495	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+H+NH4"	19.041099
"735790"	669.7600995	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+H+NH4"	19.041099
"1489611"	229.6003995	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H+NH4"	19.041099
"399545"	903.308618	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+Na"	22.989218
"762726"	1343.468318	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+Na"	22.989218
"1614104"	463.148918	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Na"	22.989218
"321953"	452.157947	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+H+Na"	23.996494
"707935"	672.237797	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+H+Na"	23.996494
"1469304"	232.078097	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H+Na"	23.996494
"1060361"	155.05449	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2H+Na"	25.00377
"1267141"	473.193186	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+CH3OH+H"	33.033486
"381706"	919.282558	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+K"	38.963158
"740148"	1359.442258	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+K"	38.963158
"1541470"	479.122858	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+K"	38.963158
"299378"	460.144917	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+H+K"	39.970434
"695808"	680.224767	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+H+K"	39.970434
"1447077"	240.065067	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H+K"	39.970434
"245523"	922.353226	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+ACN+H"	42.033826
"1218231"	482.193526	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+ACN+H"	42.033826
"1203210"	241.600401	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+ACN+2H"	43.041102
"194986"	925.29056	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+2Na-H"	44.97116
"631264"	1365.45026	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+2Na-H"	44.97116
"1144620"	485.13086	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2Na-H"	44.97116
"187789"	463.148918	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+2Na"	45.978436
"624192"	683.228768	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+2Na"	45.978436
"1125509"	243.069068	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2Na"	45.978436
"1406848"	162.381804	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H+2Na"	46.985712
"1441151"	487.172446	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H+HCOOH"	47.012746
"228659"	468.18194	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+3H2O+2H"	56.04448
"1522190"	501.22449	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+IsoProp+H"	61.06479
"413493"	471.135888	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+Na+K"	61.952376
"774125"	691.215738	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+Na+K"	61.952376
"1670089"	251.056038	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Na+K"	61.952376
"256246"	944.335168	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+ACN+Na"	64.015768
"1227858"	504.175468	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+ACN+Na"	64.015768
"1714558"	504.198993	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+NH4+HCOOH"	64.039293
"1178979"	169.709118	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+3Na"	68.967654
"1651016"	509.154388	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Na+HCOOH"	68.994688
"157995"	957.23844	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+2K-H"	76.91904
"598047"	1397.39814	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+2K-H"	76.91904
"1084986"	517.07874	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2K-H"	76.91904
"141682"	479.122858	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"2M+2K"	77.926316
"581396"	699.202708	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"3M+2K"	77.926316
"1068790"	259.043008	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2K"	77.926316
"1101755"	519.093292	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2K+H"	78.933592
"1336684"	519.180907	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+DMSO+H"	79.021207
"1005643"	523.220076	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2ACN+H"	83.060376
"1525046"	524.213708	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+IsoProp+Na+H"	84.054008
"990889"	262.113676	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+2ACN+2H"	84.067652
"1602722"	525.128328	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+K+HCOOH"	84.968628
"1427105"	555.159838	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+H+CF3COOH"	115.000138
"1162374"	282.626951	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+3ACN+2H"	125.094202
"1712411"	572.186385	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+NH4+CF3COOH"	132.026685
"1648791"	577.14178	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+Na+CF3COOH"	136.98208
"1585896"	593.11572	"C07468"	"Candesartan"	"C24H20N6O3"	"440.1597"	"M+K+CF3COOH"	152.95602
"804233"	428.2325	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M"	0
"982141"	409.21411	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-H2O-H"	-19.01839
"64184"	284.481057333333	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M-3H"	-3.021828
"505203"	427.225224	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M-3H"	-3.021828
"881913"	141.736890666667	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-3H"	-3.021828
"1334"	427.225224	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M-2H"	-2.014552
"442229"	641.341474	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M-2H"	-2.014552
"817478"	213.108974	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-2H"	-2.014552
"79535"	855.457724	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M-H"	-1.007276
"521415"	1283.690224	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M-H"	-1.007276
"899947"	427.225224	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-H"	-1.007276
"52502"	872.484271	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M-2H+NH4"	16.019271
"490967"	1300.716771	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M-2H+NH4"	16.019271
"870592"	444.251771	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-2H+NH4"	16.019271
"35212"	877.439666	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M-2H+Na"	20.974666
"471976"	1305.672166	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M-2H+Na"	20.974666
"848791"	449.207166	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-2H+Na"	20.974666
"1618655"	449.207166	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Na-2H"	20.974666
"94537"	445.213563	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M-H+Cl"	33.962126
"534537"	659.329813	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M-H+Cl"	33.962126
"927201"	231.097313	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-H+Cl"	33.962126
"267376"	891.434402	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+Cl"	34.969402
"660362"	1319.666902	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+Cl"	34.969402
"1286890"	463.201902	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Cl"	34.969402
"30540"	893.413606	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M-2H+K"	36.948606
"468152"	1321.646106	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M-2H+K"	36.948606
"843767"	465.181106	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-2H+K"	36.948606
"1559231"	465.181106	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+K-2H"	36.948606
"944561"	473.230694	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-H+HCOOH"	44.998194
"366792"	901.463201	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+HCOOH-H"	44.998201
"360886"	915.478851	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+Hac-H"	59.013851
"1499510"	487.246351	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Hac-H"	59.013851
"971428"	495.212651	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-H+NaCOOH"	66.980151
"113775"	463.201902	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+2Cl"	69.938804
"562083"	677.318152	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+2Cl"	69.938804
"1030880"	249.085652	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2Cl"	69.938804
"1244627"	507.151385	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Br"	78.918885
"1311815"	509.207372	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Cl+HCOOH"	80.974872
"1321653"	531.189329	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Cl+NaCOOH"	102.956829
"918187"	541.218086	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M-H+CF3COOH"	112.985586
"1298176"	577.194764	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Cl+CF3COOH"	148.962264
"1371962"	393.219824	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H-2H2O"	-35.012676
"1390553"	411.2298	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H-H2O"	-17.0027
"290239"	857.472276	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+H"	1.007276
"687034"	1285.704776	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+H"	1.007276
"1365449"	429.239776	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H"	1.007276
"140284"	429.239776	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+2H"	2.014552
"581187"	643.356026	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+2H"	2.014552
"1050099"	215.123526	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2H"	2.014552
"218002"	286.495609333333	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+3H"	3.021828
"654282"	429.239776	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+3H"	3.021828
"1178041"	143.751442666667	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+3H"	3.021828
"438605"	874.498823	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+NH4"	18.033823
"800819"	1302.731323	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+NH4"	18.033823
"1696785"	446.266323	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+NH4"	18.033823
"344208"	437.7530495	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+H+NH4"	19.041099
"736994"	651.8692995	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+H+NH4"	19.041099
"1490451"	223.6367995	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H+NH4"	19.041099
"399655"	879.454218	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+Na"	22.989218
"762836"	1307.686718	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+Na"	22.989218
"1605468"	451.221718	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Na"	22.989218
"326074"	440.230747	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+H+Na"	23.996494
"707437"	654.346997	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+H+Na"	23.996494
"1467228"	226.114497	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H+Na"	23.996494
"1056098"	151.078756666667	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2H+Na"	25.00377
"1263242"	461.265986	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+CH3OH+H"	33.033486
"382907"	895.428158	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+K"	38.963158
"741716"	1323.660658	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+K"	38.963158
"1541336"	467.195658	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+K"	38.963158
"301310"	448.217717	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+H+K"	39.970434
"695554"	662.333967	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+H+K"	39.970434
"1448280"	234.101467	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H+K"	39.970434
"242353"	898.498826	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+ACN+H"	42.033826
"1215061"	470.266326	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+ACN+H"	42.033826
"1203320"	235.636801	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+ACN+2H"	43.041102
"194003"	901.43616	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+2Na-H"	44.97116
"630644"	1329.66866	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+2Na-H"	44.97116
"1142543"	473.20366	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2Na-H"	44.97116
"183647"	451.221718	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+2Na"	45.978436
"622117"	665.337968	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+2Na"	45.978436
"1127805"	237.105468	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2Na"	45.978436
"1408052"	158.406070666667	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H+2Na"	46.985712
"1440169"	475.245246	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H+HCOOH"	47.012746
"228769"	456.25474	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+3H2O+2H"	56.04448
"1518293"	489.29729	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+IsoProp+H"	61.06479
"411781"	459.208688	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+Na+K"	61.952376
"772411"	673.324938	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+Na+K"	61.952376
"1666917"	245.092438	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Na+K"	61.952376
"251655"	920.480768	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+ACN+Na"	64.015768
"1227601"	492.248268	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+ACN+Na"	64.015768
"1713330"	492.271793	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+NH4+HCOOH"	64.039293
"1180019"	165.733384666667	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+3Na"	68.967654
"1651124"	497.227188	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Na+HCOOH"	68.994688
"158956"	933.38404	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+2K-H"	76.91904
"598759"	1361.61654	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+2K-H"	76.91904
"1085094"	505.15154	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2K-H"	76.91904
"141793"	467.195658	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"2M+2K"	77.926316
"581595"	681.311908	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"3M+2K"	77.926316
"1068820"	253.079408	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2K"	77.926316
"1101865"	507.166092	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2K+H"	78.933592
"1336547"	507.253707	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+DMSO+H"	79.021207
"1005753"	511.292876	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2ACN+H"	83.060376
"1524427"	512.286508	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+IsoProp+Na+H"	84.054008
"991364"	256.150076	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+2ACN+2H"	84.067652
"1601675"	513.201128	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+K+HCOOH"	84.968628
"1427215"	543.232638	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+H+CF3COOH"	115.000138
"1159692"	276.663351	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+3ACN+2H"	125.094202
"1711428"	560.259185	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+NH4+CF3COOH"	132.026685
"1647079"	565.21458	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+Na+CF3COOH"	136.98208
"1586006"	581.18852	"C07469"	"Irbesartan"	"C25H28N6O"	"428.2325"	"M+K+CF3COOH"	152.95602
"813091"	160.1338	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M"	0
"978971"	141.11541	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-H2O-H"	-19.01839
"66119"	105.748590666667	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M-3H"	-3.021828
"503732"	159.126524	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M-3H"	-3.021828
"880684"	52.3706573333333	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-3H"	-3.021828
"1567"	159.126524	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M-2H"	-2.014552
"441974"	239.193424	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M-2H"	-2.014552
"818198"	79.059624	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-2H"	-2.014552
"79159"	319.260324	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M-H"	-1.007276
"521160"	479.394124	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M-H"	-1.007276
"901149"	159.126524	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-H"	-1.007276
"53340"	336.286871	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M-2H+NH4"	16.019271
"490713"	496.420671	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M-2H+NH4"	16.019271
"868514"	176.153071	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-2H+NH4"	16.019271
"38601"	341.242266	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M-2H+Na"	20.974666
"475975"	501.376066	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M-2H+Na"	20.974666
"852681"	181.108466	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-2H+Na"	20.974666
"1621120"	181.108466	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Na-2H"	20.974666
"95463"	177.114863	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M-H+Cl"	33.962126
"535261"	257.181763	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M-H+Cl"	33.962126
"928047"	97.047963	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-H+Cl"	33.962126
"268184"	355.237002	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+Cl"	34.969402
"661335"	515.370802	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+Cl"	34.969402
"1286149"	195.103202	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Cl"	34.969402
"29434"	357.216206	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M-2H+K"	36.948606
"464982"	517.350006	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M-2H+K"	36.948606
"844970"	197.082406	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-2H+K"	36.948606
"1562988"	197.082406	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+K-2H"	36.948606
"953057"	205.131994	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-H+HCOOH"	44.998194
"366903"	365.265801	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+HCOOH-H"	44.998201
"359782"	379.281451	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+Hac-H"	59.013851
"1499620"	219.147651	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Hac-H"	59.013851
"970445"	227.113951	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-H+NaCOOH"	66.980151
"117165"	195.103202	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+2Cl"	69.938804
"555632"	275.170102	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+2Cl"	69.938804
"1030991"	115.036302	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2Cl"	69.938804
"1252758"	239.052685	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Br"	78.918885
"1306093"	241.108672	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Cl+HCOOH"	80.974872
"1322130"	263.090629	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Cl+NaCOOH"	102.956829
"917203"	273.119386	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M-H+CF3COOH"	112.985586
"1300473"	309.096064	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Cl+CF3COOH"	148.962264
"1374259"	125.121124	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H-2H2O"	-35.012676
"1390663"	143.1311	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H-H2O"	-17.0027
"296912"	321.274876	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+H"	1.007276
"691156"	481.408676	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+H"	1.007276
"1366822"	161.141076	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H"	1.007276
"141232"	161.141076	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+2H"	2.014552
"581245"	241.207976	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+2H"	2.014552
"1052526"	81.074176	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2H"	2.014552
"218848"	107.763142666667	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+3H"	3.021828
"658771"	161.141076	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+3H"	3.021828
"1176530"	54.3852093333333	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+3H"	3.021828
"436894"	338.301423	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+NH4"	18.033823
"800441"	498.435223	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+NH4"	18.033823
"1694218"	178.167623	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+NH4"	18.033823
"344317"	169.6543495	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+H+NH4"	19.041099
"734917"	249.7212495	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+H+NH4"	19.041099
"1490927"	89.5874495	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H+NH4"	19.041099
"404140"	343.256818	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+Na"	22.989218
"756388"	503.390618	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+Na"	22.989218
"1609952"	183.123018	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Na"	22.989218
"321081"	172.132047	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+H+Na"	23.996494
"711316"	252.198947	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+H+Na"	23.996494
"1464053"	92.065147	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H+Na"	23.996494
"1055113"	61.7125233333333	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2H+Na"	25.00377
"1258975"	193.167286	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+CH3OH+H"	33.033486
"380096"	359.230758	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+K"	38.963158
"738736"	519.364558	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+K"	38.963158
"1541690"	199.096958	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+K"	38.963158
"302149"	180.119017	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+H+K"	39.970434
"697852"	260.185917	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+H+K"	39.970434
"1451673"	100.052117	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H+K"	39.970434
"242463"	362.301426	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+ACN+H"	42.033826
"1211891"	202.167626	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+ACN+H"	42.033826
"1202337"	101.587451	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+ACN+2H"	43.041102
"195206"	365.23876	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+2Na-H"	44.97116
"635860"	525.37256	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+2Na-H"	44.97116
"1139373"	205.10496	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2Na-H"	44.97116
"184486"	183.123018	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+2Na"	45.978436
"623319"	263.189918	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+2Na"	45.978436
"1122083"	103.056118	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2Na"	45.978436
"1407069"	69.0398373333333	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H+2Na"	46.985712
"1439184"	207.146546	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H+HCOOH"	47.012746
"226692"	188.15604	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+3H2O+2H"	56.04448
"1515849"	221.19859	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+IsoProp+H"	61.06479
"412256"	191.109988	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+Na+K"	61.952376
"770939"	271.176888	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+Na+K"	61.952376
"1667391"	111.043088	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Na+K"	61.952376
"253182"	384.283368	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+ACN+Na"	64.015768
"1229900"	224.149568	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+ACN+Na"	64.015768
"1714047"	224.173093	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+NH4+HCOOH"	64.039293
"1180857"	76.3671513333333	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+3Na"	68.967654
"1656219"	229.128488	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Na+HCOOH"	68.994688
"159072"	397.18664	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+2K-H"	76.91904
"599358"	557.32044	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+2K-H"	76.91904
"1084921"	237.05284	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2K-H"	76.91904
"142753"	199.096958	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"2M+2K"	77.926316
"581955"	279.163858	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"3M+2K"	77.926316
"1068889"	119.030058	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2K"	77.926316
"1100762"	239.067392	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2K+H"	78.933592
"1338727"	239.155007	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+DMSO+H"	79.021207
"1006290"	243.194176	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2ACN+H"	83.060376
"1525513"	244.187808	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+IsoProp+Na+H"	84.054008
"990378"	122.100726	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+2ACN+2H"	84.067652
"1595098"	245.102428	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+K+HCOOH"	84.968628
"1419666"	275.133938	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+H+CF3COOH"	115.000138
"1161868"	142.614001	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+3ACN+2H"	125.094202
"1712269"	292.160485	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+NH4+CF3COOH"	132.026685
"1648282"	297.11588	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+Na+CF3COOH"	136.98208
"1586116"	313.08982	"C07471"	"Methacholine;Acetyl-beta-methylcholine"	"C8H18NO2"	"160.1338"	"M+K+CF3COOH"	152.95602
"803724"	174.1494	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M"	0
"979081"	155.13101	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-H2O-H"	-19.01839
"66593"	115.092324	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M-3H"	-3.021828
"503477"	173.142124	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M-3H"	-3.021828
"880309"	57.042524	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-3H"	-3.021828
"151"	173.142124	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M-2H"	-2.014552
"442085"	260.216824	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M-2H"	-2.014552
"817703"	86.067424	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-2H"	-2.014552
"79394"	347.291524	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M-H"	-1.007276
"521270"	521.440924	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M-H"	-1.007276
"901259"	173.142124	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-H"	-1.007276
"55637"	364.318071	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M-2H+NH4"	16.019271
"490823"	538.467471	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M-2H+NH4"	16.019271
"870811"	190.168671	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-2H+NH4"	16.019271
"37618"	369.273466	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M-2H+Na"	20.974666
"478272"	543.422866	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M-2H+Na"	20.974666
"854979"	195.124066	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-2H+Na"	20.974666
"1621230"	195.124066	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Na-2H"	20.974666
"95573"	191.130463	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M-H+Cl"	33.962126
"535009"	278.205163	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M-H+Cl"	33.962126
"927913"	104.055763	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-H+Cl"	33.962126
"268295"	383.268202	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+Cl"	34.969402
"661201"	557.417602	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+Cl"	34.969402
"1282975"	209.118802	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Cl"	34.969402
"28816"	385.247406	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M-2H+K"	36.948606
"465092"	559.396806	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M-2H+K"	36.948606
"842893"	211.098006	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-2H+K"	36.948606
"1563098"	211.098006	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+K-2H"	36.948606
"950980"	219.147594	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-H+HCOOH"	44.998194
"368106"	393.297001	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+HCOOH-H"	44.998201
"360987"	407.312651	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+Hac-H"	59.013851
"1498637"	233.163251	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Hac-H"	59.013851
"970555"	241.129551	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-H+NaCOOH"	66.980151
"121649"	209.118802	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+2Cl"	69.938804
"560116"	296.193502	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+2Cl"	69.938804
"1033654"	122.044102	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2Cl"	69.938804
"1251775"	253.068285	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Br"	78.918885
"1305474"	255.124272	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Cl+HCOOH"	80.974872
"1321511"	277.106229	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Cl+NaCOOH"	102.956829
"915490"	287.134986	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M-H+CF3COOH"	112.985586
"1293292"	323.111664	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Cl+CF3COOH"	148.962264
"1374369"	139.136724	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H-2H2O"	-35.012676
"1387492"	157.1467	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H-H2O"	-17.0027
"297875"	349.306076	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+H"	1.007276
"689443"	523.455476	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+H"	1.007276
"1366848"	175.156676	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H"	1.007276
"140870"	175.156676	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+2H"	2.014552
"581362"	262.231376	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+2H"	2.014552
"1052270"	88.081976	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2H"	2.014552
"219686"	117.106876	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+3H"	3.021828
"659245"	175.156676	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+3H"	3.021828
"1176519"	59.057076	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+3H"	3.021828
"438825"	366.332623	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+NH4"	18.033823
"800551"	540.482023	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+NH4"	18.033823
"1696396"	192.183223	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+NH4"	18.033823
"341147"	183.6699495	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+H+NH4"	19.041099
"733570"	270.7446495	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+H+NH4"	19.041099
"1491766"	96.5952495	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H+NH4"	19.041099
"406436"	371.288018	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+Na"	22.989218
"757592"	545.437418	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+Na"	22.989218
"1610063"	197.138618	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Na"	22.989218
"321192"	186.147647	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+H+Na"	23.996494
"713614"	273.222347	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+H+Na"	23.996494
"1467443"	99.072947	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H+Na"	23.996494
"1056313"	66.38439	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2H+Na"	25.00377
"1260175"	207.182886	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+CH3OH+H"	33.033486
"380206"	387.261958	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+K"	38.963158
"738963"	561.411358	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+K"	38.963158
"1540578"	213.112558	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+K"	38.963158
"299338"	194.134617	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+H+K"	39.970434
"696868"	281.209317	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+H+K"	39.970434
"1449594"	107.059917	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H+K"	39.970434
"241480"	390.332626	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+ACN+H"	42.033826
"1212000"	216.183226	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+ACN+H"	42.033826
"1204633"	108.595251	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+ACN+2H"	43.041102
"194223"	393.26996	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+2Na-H"	44.97116
"635970"	567.41936	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+2Na-H"	44.97116
"1140211"	219.12056	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2Na-H"	44.97116
"182774"	197.138618	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+2Na"	45.978436
"624525"	284.213318	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+2Na"	45.978436
"1121829"	110.063918	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2Na"	45.978436
"1409004"	73.711704	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H+2Na"	46.985712
"1441846"	221.162146	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H+HCOOH"	47.012746
"227895"	202.17164	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+3H2O+2H"	56.04448
"1519970"	235.21419	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+IsoProp+H"	61.06479
"413459"	205.125588	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+Na+K"	61.952376
"772267"	292.200288	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+Na+K"	61.952376
"1670054"	118.050888	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Na+K"	61.952376
"254021"	412.314568	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+ACN+Na"	64.015768
"1230010"	238.165168	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+ACN+Na"	64.015768
"1716345"	238.188693	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+NH4+HCOOH"	64.039293
"1181332"	81.039018	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+3Na"	68.967654
"1656329"	243.144088	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Na+HCOOH"	68.994688
"160276"	425.21784	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+2K-H"	76.91904
"598739"	599.36724	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+2K-H"	76.91904
"1084951"	251.06844	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2K-H"	76.91904
"142985"	213.112558	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"2M+2K"	77.926316
"582267"	300.187258	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"3M+2K"	77.926316
"1069366"	126.037858	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2K"	77.926316
"1101724"	253.082992	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2K+H"	78.933592
"1337013"	253.170607	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+DMSO+H"	79.021207
"1006886"	257.209776	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2ACN+H"	83.060376
"1524358"	258.203408	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+IsoProp+Na+H"	84.054008
"990486"	129.108526	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+2ACN+2H"	84.067652
"1596301"	259.118028	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+K+HCOOH"	84.968628
"1419776"	289.149538	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+H+CF3COOH"	115.000138
"1162098"	149.621801	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+3ACN+2H"	125.094202
"1712687"	306.176085	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+NH4+CF3COOH"	132.026685
"1648392"	311.13148	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+Na+CF3COOH"	136.98208
"1586226"	327.10542	"C07473"	"Muscarine"	"C9H20NO2"	"174.1494"	"M+K+CF3COOH"	152.95602
"803470"	208.1212	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M"	0
"978098"	189.10281	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-H2O-H"	-19.01839
"67432"	137.740190666667	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M-3H"	-3.021828
"504805"	207.113924	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M-3H"	-3.021828
"882604"	68.3664573333333	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-3H"	-3.021828
"36"	207.113924	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M-2H"	-2.014552
"440858"	311.174524	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M-2H"	-2.014552
"817245"	103.053324	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-2H"	-2.014552
"78727"	415.235124	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M-H"	-1.007276
"519432"	623.356324	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M-H"	-1.007276
"899182"	207.113924	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-H"	-1.007276
"52463"	432.261671	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M-2H+NH4"	16.019271
"493120"	640.382871	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M-2H+NH4"	16.019271
"870921"	224.140471	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-2H+NH4"	16.019271
"36635"	437.217066	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M-2H+Na"	20.974666
"472911"	645.338266	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M-2H+Na"	20.974666
"852173"	229.095866	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-2H+Na"	20.974666
"1620248"	229.095866	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Na-2H"	20.974666
"95684"	225.102263	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M-H+Cl"	33.962126
"534278"	329.162863	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M-H+Cl"	33.962126
"927211"	121.041663	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-H+Cl"	33.962126
"269136"	451.211802	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+Cl"	34.969402
"660298"	659.333002	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+Cl"	34.969402
"1283085"	243.090602	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Cl"	34.969402
"30992"	453.191006	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M-2H+K"	36.948606
"470671"	661.312206	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M-2H+K"	36.948606
"845191"	245.069806	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-2H+K"	36.948606
"1566490"	245.069806	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+K-2H"	36.948606
"953280"	253.119394	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-H+HCOOH"	44.998194
"369310"	461.240601	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+HCOOH-H"	44.998201
"360490"	475.256251	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+Hac-H"	59.013851
"1507495"	267.135051	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Hac-H"	59.013851
"973785"	275.101351	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-H+NaCOOH"	66.980151
"122854"	243.090602	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+2Cl"	69.938804
"563507"	347.151202	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+2Cl"	69.938804
"1034493"	139.030002	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2Cl"	69.938804
"1248605"	287.040085	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Br"	78.918885
"1309961"	289.096072	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Cl+HCOOH"	80.974872
"1324176"	311.078029	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Cl+NaCOOH"	102.956829
"916329"	321.106786	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M-H+CF3COOH"	112.985586
"1297413"	357.083464	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Cl+CF3COOH"	148.962264
"1371199"	173.108524	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H-2H2O"	-35.012676
"1387602"	191.1185	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H-H2O"	-17.0027
"297620"	417.249676	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+H"	1.007276
"688460"	625.370876	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+H"	1.007276
"1365780"	209.128476	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H"	1.007276
"140251"	209.128476	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+2H"	2.014552
"580787"	313.189076	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+2H"	2.014552
"1051774"	105.067876	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2H"	2.014552
"218704"	139.754742666667	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+3H"	3.021828
"658995"	209.128476	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+3H"	3.021828
"1178130"	70.3810093333333	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+3H"	3.021828
"437844"	434.276223	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+NH4"	18.033823
"797747"	642.397423	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+NH4"	18.033823
"1694441"	226.155023	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+NH4"	18.033823
"343444"	217.6417495	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+H+NH4"	19.041099
"736110"	321.7023495	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+H+NH4"	19.041099
"1491150"	113.5811495	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H+NH4"	19.041099
"404360"	439.231618	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+Na"	22.989218
"763169"	647.352818	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+Na"	22.989218
"1611266"	231.110418	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Na"	22.989218
"322396"	220.119447	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+H+Na"	23.996494
"712631"	324.180047	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+H+Na"	23.996494
"1469739"	116.058847	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H+Na"	23.996494
"1056423"	77.7083233333333	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2H+Na"	25.00377
"1258462"	241.154686	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+CH3OH+H"	33.033486
"378493"	455.205558	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+K"	38.963158
"738614"	663.326758	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+K"	38.963158
"1539898"	247.084358	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+K"	38.963158
"299448"	228.106417	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+H+K"	39.970434
"695882"	332.167017	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+H+K"	39.970434
"1450797"	124.045817	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H+K"	39.970434
"241590"	458.276226	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+ACN+H"	42.033826
"1212109"	250.155026	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+ACN+H"	42.033826
"1204743"	125.581151	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+ACN+2H"	43.041102
"195426"	461.21356	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+2Na-H"	44.97116
"636080"	669.33476	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+2Na-H"	44.97116
"1140685"	253.09236	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2Na-H"	44.97116
"182881"	231.110418	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+2Na"	45.978436
"623537"	335.171018	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+2Na"	45.978436
"1122668"	127.049818	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2Na"	45.978436
"1409475"	85.0356373333333	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H+2Na"	46.985712
"1437216"	255.133946	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H+HCOOH"	47.012746
"225817"	236.14344	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+3H2O+2H"	56.04448
"1521535"	269.18599	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+IsoProp+H"	61.06479
"417943"	239.097388	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+Na+K"	61.952376
"777846"	343.157988	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+Na+K"	61.952376
"1669436"	135.036788	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Na+K"	61.952376
"254496"	480.258168	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+ACN+Na"	64.015768
"1228296"	272.136968	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+ACN+Na"	64.015768
"1716455"	272.160493	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+NH4+HCOOH"	64.039293
"1179984"	92.3629513333333	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+3Na"	68.967654
"1656439"	277.115888	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Na+HCOOH"	68.994688
"162205"	493.16144	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+2K-H"	76.91904
"597513"	701.28264	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+2K-H"	76.91904
"1084292"	285.04024	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2K-H"	76.91904
"142003"	247.084358	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"2M+2K"	77.926316
"581687"	351.144958	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"3M+2K"	77.926316
"1069234"	143.023758	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2K"	77.926316
"1100130"	287.054792	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2K+H"	78.933592
"1335614"	287.142407	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+DMSO+H"	79.021207
"1005792"	291.181576	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2ACN+H"	83.060376
"1524178"	292.175208	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+IsoProp+Na+H"	84.054008
"989935"	146.094426	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+2ACN+2H"	84.067652
"1598595"	293.089828	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+K+HCOOH"	84.968628
"1422072"	323.121338	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+H+CF3COOH"	115.000138
"1161479"	166.607701	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+3ACN+2H"	125.094202
"1712496"	340.147885	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+NH4+CF3COOH"	132.026685
"1648502"	345.10328	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+Na+CF3COOH"	136.98208
"1586336"	361.07722	"C07474"	"Pilocarpine"	"C11H16N2O2"	"208.1212"	"M+K+CF3COOH"	152.95602
"803580"	337.2042	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M"	0
"978208"	318.18581	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-H2O-H"	-19.01839
"67542"	223.795524	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M-3H"	-3.021828
"504913"	336.196924	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M-3H"	-3.021828
"883808"	111.394124	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-3H"	-3.021828
"226"	336.196924	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M-2H"	-2.014552
"440274"	504.799024	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M-2H"	-2.014552
"817801"	167.594824	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-2H"	-2.014552
"78791"	673.401124	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M-H"	-1.007276
"520028"	1010.605324	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M-H"	-1.007276
"898927"	336.196924	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-H"	-1.007276
"50386"	690.427671	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M-2H+NH4"	16.019271
"492137"	1027.631871	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M-2H+NH4"	16.019271
"871031"	353.223471	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-2H+NH4"	16.019271
"37109"	695.383066	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M-2H+Na"	20.974666
"472413"	1032.587266	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M-2H+Na"	20.974666
"851190"	358.178866	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-2H+Na"	20.974666
"1620723"	358.178866	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Na-2H"	20.974666
"95794"	354.185263	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M-H+Cl"	33.962126
"534497"	522.787363	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M-H+Cl"	33.962126
"927285"	185.583163	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-H+Cl"	33.962126
"268153"	709.377802	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+Cl"	34.969402
"660327"	1046.582002	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+Cl"	34.969402
"1285382"	372.173602	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Cl"	34.969402
"29765"	711.357006	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M-2H+K"	36.948606
"468231"	1048.561206	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M-2H+K"	36.948606
"847125"	374.152806	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-2H+K"	36.948606
"1567694"	374.152806	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+K-2H"	36.948606
"952299"	382.202394	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-H+HCOOH"	44.998194
"367234"	719.406601	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+HCOOH-H"	44.998201
"358776"	733.422251	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+Hac-H"	59.013851
"1505055"	396.218051	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Hac-H"	59.013851
"970775"	404.184351	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-H+NaCOOH"	66.980151
"120776"	372.173602	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+2Cl"	69.938804
"560337"	540.775702	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+2Cl"	69.938804
"1028043"	203.571502	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2Cl"	69.938804
"1243249"	416.123085	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Br"	78.918885
"1307884"	418.179072	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Cl+HCOOH"	80.974872
"1325378"	440.161029	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Cl+NaCOOH"	102.956829
"917533"	450.189786	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M-H+CF3COOH"	112.985586
"1298616"	486.166464	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Cl+CF3COOH"	148.962264
"1369123"	302.191524	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H-2H2O"	-35.012676
"1392087"	320.2015	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H-H2O"	-17.0027
"288494"	675.415676	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+H"	1.007276
"684196"	1012.619876	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+H"	1.007276
"1366625"	338.211476	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H"	1.007276
"139997"	338.211476	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+2H"	2.014552
"580656"	506.813576	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+2H"	2.014552
"1051642"	169.609376	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2H"	2.014552
"217350"	225.810076	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+3H"	3.021828
"658011"	338.211476	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+3H"	3.021828
"1173943"	113.408676	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+3H"	3.021828
"438198"	692.442223	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+NH4"	18.033823
"798586"	1029.646423	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+NH4"	18.033823
"1694187"	355.238023	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+NH4"	18.033823
"343070"	346.7247495	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+H+NH4"	19.041099
"737440"	515.3268495	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+H+NH4"	19.041099
"1490894"	178.1226495	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H+NH4"	19.041099
"404470"	697.397618	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+Na"	22.989218
"764373"	1034.601818	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+Na"	22.989218
"1611378"	360.193418	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Na"	22.989218
"324693"	349.202447	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+H+Na"	23.996494
"713834"	517.804547	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+H+Na"	23.996494
"1469849"	180.600347	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H+Na"	23.996494
"1056897"	120.73599	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2H+Na"	25.00377
"1257078"	370.237686	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+CH3OH+H"	33.033486
"377189"	713.371558	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+K"	38.963158
"738513"	1050.575758	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+K"	38.963158
"1543114"	376.167358	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+K"	38.963158
"299924"	357.189417	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+H+K"	39.970434
"701460"	525.791517	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+H+K"	39.970434
"1454188"	188.587317	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H+K"	39.970434
"240607"	716.442226	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+ACN+H"	42.033826
"1213314"	379.238026	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+ACN+H"	42.033826
"1207043"	190.122651	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+ACN+2H"	43.041102
"196631"	719.37956	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+2Na-H"	44.97116
"634004"	1056.58376	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+2Na-H"	44.97116
"1138603"	382.17536	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2Na-H"	44.97116
"182991"	360.193418	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+2Na"	45.978436
"623647"	528.795518	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+2Na"	45.978436
"1124966"	191.591318	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2Na"	45.978436
"1404117"	128.063304	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H+2Na"	46.985712
"1437327"	384.216946	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H+HCOOH"	47.012746
"227023"	365.22644	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+3H2O+2H"	56.04448
"1518732"	398.26899	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+IsoProp+H"	61.06479
"414773"	368.180388	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+Na+K"	61.952376
"776862"	536.782488	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+Na+K"	61.952376
"1668450"	199.578288	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Na+K"	61.952376
"252782"	738.424168	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+ACN+Na"	64.015768
"1230959"	401.219968	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+ACN+Na"	64.015768
"1714376"	401.243493	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+NH4+HCOOH"	64.039293
"1181918"	135.390618	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+3Na"	68.967654
"1654726"	406.198888	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Na+HCOOH"	68.994688
"157288"	751.32744	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+2K-H"	76.91904
"597622"	1088.53164	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+2K-H"	76.91904
"1084317"	414.12324	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2K-H"	76.91904
"141704"	376.167358	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"2M+2K"	77.926316
"581720"	544.769458	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"3M+2K"	77.926316
"1068613"	207.565258	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2K"	77.926316
"1100035"	416.137792	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2K+H"	78.933592
"1336144"	416.225407	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+DMSO+H"	79.021207
"1005721"	420.264576	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2ACN+H"	83.060376
"1524628"	421.258208	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+IsoProp+Na+H"	84.054008
"990708"	210.635926	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+2ACN+2H"	84.067652
"1598705"	422.172828	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+K+HCOOH"	84.968628
"1422182"	452.204338	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+H+CF3COOH"	115.000138
"1157938"	231.149201	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+3ACN+2H"	125.094202
"1704208"	469.230885	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+NH4+CF3COOH"	132.026685
"1647518"	474.18628	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+Na+CF3COOH"	136.98208
"1586446"	490.16022	"C07475"	"Lobeline;(-)-Lobeline"	"C22H27NO2"	"337.2042"	"M+K+CF3COOH"	152.95602
"806972"	172.0372	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M"	0
"978317"	153.01881	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"67653"	113.684190666667	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"506118"	171.029924	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"882095"	56.3384573333333	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"4682"	171.029924	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"442054"	257.048524	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"820224"	85.011324	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"82407"	343.067124	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"523063"	515.104324	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"904876"	171.029924	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"60345"	360.093671	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"495531"	532.130871	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"870415"	188.056471	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"43420"	365.049066	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"478968"	537.086266	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"858593"	193.011866	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1632259"	193.011866	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"99551"	189.018263	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"536924"	275.036863	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"931168"	102.999663	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"268994"	379.043802	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"663240"	551.081002	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1287439"	207.006602	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"30241"	381.023006	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"470167"	553.060206	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"846508"	208.985806	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1567808"	208.985806	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"957765"	217.035394	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"374637"	389.072601	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"360711"	403.088251	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1506994"	231.051051	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"969794"	239.017351	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"125225"	207.006602	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"560449"	293.025202	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1031437"	120.988002	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1247733"	250.956085	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1312371"	253.012072	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1328774"	274.994029	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"917645"	285.022786	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1297635"	320.999464	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1379076"	137.024524	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1396574"	155.0345	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"291884"	345.081676	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"689779"	517.118876	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1365405"	173.044476	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"140722"	173.044476	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"580042"	259.063076	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1051026"	87.025876	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"218442"	115.698742666667	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"658366"	173.044476	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1177831"	58.3530093333333	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"437825"	362.108223	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"799791"	534.145423	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1695393"	190.071023	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"341853"	181.5577495	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"736462"	267.5763495	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1488091"	95.5391495	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"403123"	367.063618	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"763389"	539.100818	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1614769"	195.026418	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"323711"	184.035447	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"710668"	270.054047	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1466678"	98.016847	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1059928"	65.6803233333333	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1264887"	205.070686	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"386743"	383.037558	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"748828"	555.074758	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1549792"	211.000358	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"308060"	192.022417	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"698291"	278.041017	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1452114"	106.003817	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"238525"	386.108226	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1215617"	214.071026	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1200591"	107.539151	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"193460"	389.04556	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"631922"	561.08276	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1135426"	217.00836	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"183111"	195.026418	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"623760"	281.045018	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1125082"	109.007818	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1408606"	73.0076373333333	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1440357"	219.049946	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"229324"	200.05944	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1520300"	233.10199	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"414886"	203.013388	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"774786"	289.031988	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1669653"	116.994788	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"254353"	408.090168	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1229979"	236.052968	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1714851"	236.076493	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1180206"	80.3349513333333	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1651558"	241.031888	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"158296"	420.99344	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"601260"	593.03064	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1089787"	248.95624	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"149887"	211.000358	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"585072"	297.018958	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1070676"	124.981758	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1112272"	250.970792	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1348902"	251.058407	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1016458"	255.097576	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1535676"	256.091208	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"999937"	128.052426	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1601007"	257.005828	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1427762"	287.037338	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1155862"	148.565701	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1711490"	304.063885	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1648722"	309.01928	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1586556"	324.99322	"C07478"	"2-Hydroxy-5-methyl-ciscis-muconate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"803802"	172.0372	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M"	0
"974658"	153.01881	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"63047"	113.684190666667	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"504405"	171.029924	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"880623"	56.3384573333333	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"902"	171.029924	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"440452"	257.048524	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"819605"	85.011324	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"83610"	343.067124	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"522444"	515.104324	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"904986"	171.029924	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"60455"	360.093671	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"494548"	532.130871	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"870525"	188.056471	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"43530"	365.049066	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"478714"	537.086266	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"858703"	193.011866	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1632248"	193.011866	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"98204"	189.018263	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"538856"	275.036863	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"931278"	102.999663	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"272022"	379.043802	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"662257"	551.081002	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1287671"	207.006602	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"25970"	381.023006	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"467719"	553.060206	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"844428"	208.985806	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1565732"	208.985806	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"957871"	217.035394	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"374018"	389.072601	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"361062"	403.088251	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1506738"	231.051051	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"972093"	239.017351	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"124278"	207.006602	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"565301"	293.025202	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1035918"	120.988002	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1255495"	250.956085	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1309198"	253.012072	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1328884"	274.994029	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"921035"	285.022786	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1295555"	320.999464	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1380279"	137.024524	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1394497"	155.0345	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"288714"	345.081676	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"689525"	517.118876	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1365509"	173.044476	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"141192"	173.044476	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"580273"	259.063076	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1052468"	87.025876	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"218544"	115.698742666667	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"658840"	173.044476	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1178140"	58.3530093333333	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"438177"	362.108223	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"800390"	534.145423	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1696233"	190.071023	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"343420"	181.5577495	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"736207"	267.5763495	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1490388"	95.5391495	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"404327"	367.063618	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"768602"	539.100818	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1615973"	195.026418	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"327831"	184.035447	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"714058"	270.054047	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1467152"	98.016847	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1058940"	65.6803233333333	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1269370"	205.070686	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"387946"	383.037558	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"750761"	555.074758	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1552818"	211.000358	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"310357"	192.022417	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"700588"	278.041017	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1453314"	106.003817	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"238271"	386.108226	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1217913"	214.071026	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1201795"	107.539151	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"191382"	389.04556	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"632033"	561.08276	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1135538"	217.00836	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"184313"	195.026418	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"623872"	281.045018	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1121912"	109.007818	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1410177"	73.0076373333333	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1441925"	219.049946	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"229435"	200.05944	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1518589"	233.10199	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"417183"	203.013388	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"775990"	289.031988	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1668308"	116.994788	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"253371"	408.090168	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1227902"	236.052968	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1715690"	236.076493	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1182868"	80.3349513333333	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1651668"	241.031888	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"159624"	420.99344	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"600277"	593.03064	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1088804"	248.95624	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"148904"	211.000358	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"584089"	297.018958	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1070786"	124.981758	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1109466"	250.970792	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1348768"	251.058407	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1016568"	255.097576	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1535786"	256.091208	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"1000047"	128.052426	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1592363"	257.005828	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1422402"	287.037338	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1155972"	148.565701	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1712330"	304.063885	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1646646"	309.01928	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1586666"	324.99322	"C07479"	"2-Oxo-5-methyl-cis-muconate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"813753"	180.0647	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M"	0
"977443"	161.04631	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H2O-H"	-19.01839
"64593"	119.035857333333	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-3H"	-3.021828
"504152"	179.057424	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-3H"	-3.021828
"880408"	59.0142906666667	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-3H"	-3.021828
"767"	179.057424	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H"	-2.014552
"440564"	269.089774	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H"	-2.014552
"819349"	89.025074	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H"	-2.014552
"83720"	359.122124	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-H"	-1.007276
"527292"	539.186824	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-H"	-1.007276
"905095"	179.057424	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H"	-1.007276
"54002"	376.148671	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+NH4"	16.019271
"495018"	556.213371	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+NH4"	16.019271
"873551"	196.083971	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+NH4"	16.019271
"38170"	381.104066	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+Na"	20.974666
"477731"	561.168766	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+Na"	20.974666
"858813"	201.039366	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+Na"	20.974666
"1629441"	201.039366	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na-2H"	20.974666
"104875"	197.045763	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-H+Cl"	33.962126
"542248"	287.078113	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-H+Cl"	33.962126
"933576"	107.013413	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+Cl"	33.962126
"272132"	395.098802	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Cl"	34.969402
"663460"	575.163502	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+Cl"	34.969402
"1281334"	215.034102	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl"	34.969402
"28267"	397.078006	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+K"	36.948606
"470746"	577.142706	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+K"	36.948606
"847457"	217.013306	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+K"	36.948606
"1568757"	217.013306	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K-2H"	36.948606
"957743"	225.062894	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+HCOOH"	44.998194
"374857"	405.127601	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+HCOOH-H"	44.998201
"360810"	419.143251	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Hac-H"	59.013851
"1507337"	239.078551	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Hac-H"	59.013851
"972930"	247.044851	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+NaCOOH"	66.980151
"122201"	215.034102	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Cl"	69.938804
"565574"	305.066452	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Cl"	69.938804
"1028374"	125.001752	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2Cl"	69.938804
"1256214"	258.983585	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Br"	78.918885
"1309308"	261.039572	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+HCOOH"	80.974872
"1335434"	283.021529	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+NaCOOH"	102.956829
"926612"	293.050286	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M-H+CF3COOH"	112.985586
"1295665"	329.026964	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+CF3COOH"	148.962264
"1380025"	145.052024	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H-2H2O"	-35.012676
"1396430"	163.062	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H-H2O"	-17.0027
"288824"	361.136676	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H"	1.007276
"690897"	541.201376	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H"	1.007276
"1365622"	181.071976	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H"	1.007276
"140697"	181.071976	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2H"	2.014552
"580140"	271.104326	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2H"	2.014552
"1052335"	91.039626	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2H"	2.014552
"219385"	121.050409333333	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+3H"	3.021828
"659317"	181.071976	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+3H"	3.021828
"1177558"	61.0288426666667	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+3H"	3.021828
"438527"	378.163223	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+NH4"	18.033823
"800257"	558.227923	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+NH4"	18.033823
"1696342"	198.098523	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4"	18.033823
"345588"	189.5852495	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+NH4"	19.041099
"737777"	279.6175995	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+NH4"	19.041099
"1492449"	99.5528995	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+NH4"	19.041099
"404801"	383.118618	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Na"	22.989218
"768715"	563.183318	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+Na"	22.989218
"1614990"	203.053918	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na"	22.989218
"326121"	192.062947	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+Na"	23.996494
"710888"	282.095297	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+Na"	23.996494
"1469086"	102.030597	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+Na"	23.996494
"1053944"	68.3561566666667	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2H+Na"	25.00377
"1266201"	213.098186	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+CH3OH+H"	33.033486
"384411"	399.092558	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+K"	38.963158
"750143"	579.157258	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+K"	38.963158
"1546731"	219.027858	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K"	38.963158
"310466"	200.049917	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+K"	39.970434
"699607"	290.082267	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+K"	39.970434
"1454520"	110.017567	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+K"	39.970434
"243123"	402.163226	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+ACN+H"	42.033826
"1216930"	222.098526	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+H"	42.033826
"1208466"	111.552901	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+2H"	43.041102
"202429"	405.10056	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Na-H"	44.97116
"636522"	585.16526	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Na-H"	44.97116
"1134557"	225.03586	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2Na-H"	44.97116
"183329"	203.053918	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Na"	45.978436
"625074"	293.086268	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Na"	45.978436
"1123115"	113.021568	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2Na"	45.978436
"1411744"	75.6834706666667	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+2Na"	46.985712
"1443128"	227.077446	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+HCOOH"	47.012746
"230636"	208.08694	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+3H2O+2H"	56.04448
"1520885"	241.12949	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+IsoProp+H"	61.06479
"418386"	211.040888	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+Na+K"	61.952376
"776099"	301.073238	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+Na+K"	61.952376
"1668782"	121.008538	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+K"	61.952376
"253118"	424.145168	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+ACN+Na"	64.015768
"1228012"	244.080468	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+Na"	64.015768
"1715803"	244.103993	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4+HCOOH"	64.039293
"1180426"	83.0107846666667	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+3Na"	68.967654
"1657978"	249.059388	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+HCOOH"	68.994688
"158278"	437.04844	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2K-H"	76.91904
"599294"	617.11314	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2K-H"	76.91904
"1093290"	256.98374	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2K-H"	76.91904
"150107"	219.027858	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"2M+2K"	77.926316
"585292"	309.060208	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"3M+2K"	77.926316
"1071990"	128.995508	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2K"	77.926316
"1109576"	258.998292	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2K+H"	78.933592
"1347055"	259.085907	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+DMSO+H"	79.021207
"1017407"	263.125076	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2ACN+H"	83.060376
"1535896"	264.118708	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+IsoProp+Na+H"	84.054008
"1000157"	132.066176	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+2ACN+2H"	84.067652
"1593567"	265.033328	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K+HCOOH"	84.968628
"1422512"	295.064838	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+H+CF3COOH"	115.000138
"1156082"	152.579451	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+3ACN+2H"	125.094202
"1712563"	312.091385	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4+CF3COOH"	132.026685
"1648942"	317.04678	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+CF3COOH"	136.98208
"1586776"	333.02072	"C07480"	"Theobromine;37-Dimethylxanthine"	"C7H8N4O2"	"180.0647"	"M+K+CF3COOH"	152.95602
"813865"	194.0804	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M"	0
"984117"	175.06201	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-H2O-H"	-19.01839
"67985"	128.379657333333	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M-3H"	-3.021828
"504991"	193.073124	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M-3H"	-3.021828
"885348"	63.6861906666667	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-3H"	-3.021828
"3557"	193.073124	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M-2H"	-2.014552
"442021"	290.113324	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M-2H"	-2.014552
"819098"	96.032924	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-2H"	-2.014552
"86749"	387.153524	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M-H"	-1.007276
"534096"	581.233924	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M-H"	-1.007276
"908486"	193.073124	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-H"	-1.007276
"60675"	404.180071	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M-2H+NH4"	16.019271
"496954"	598.260471	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M-2H+NH4"	16.019271
"872569"	210.099671	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-2H+NH4"	16.019271
"39375"	409.135466	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M-2H+Na"	20.974666
"484403"	603.215866	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M-2H+Na"	20.974666
"854548"	215.055066	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-2H+Na"	20.974666
"1632105"	215.055066	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Na-2H"	20.974666
"109118"	211.061463	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M-H+Cl"	33.962126
"540172"	308.101663	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M-H+Cl"	33.962126
"933688"	114.021263	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-H+Cl"	33.962126
"275524"	423.130202	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+Cl"	34.969402
"661261"	617.210602	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+Cl"	34.969402
"1281444"	229.049802	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Cl"	34.969402
"28377"	425.109406	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M-2H+K"	36.948606
"470740"	619.189806	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M-2H+K"	36.948606
"846839"	231.029006	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-2H+K"	36.948606
"1569960"	231.029006	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+K-2H"	36.948606
"957934"	239.078594	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-H+HCOOH"	44.998194
"374967"	433.159001	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+HCOOH-H"	44.998201
"361083"	447.174651	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+Hac-H"	59.013851
"1508056"	253.094251	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Hac-H"	59.013851
"972923"	261.060551	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-H+NaCOOH"	66.980151
"121218"	229.049802	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+2Cl"	69.938804
"565644"	326.090002	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+2Cl"	69.938804
"1031764"	132.009602	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2Cl"	69.938804
"1254625"	272.999285	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Br"	78.918885
"1309418"	275.055272	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Cl+HCOOH"	80.974872
"1334573"	297.037229	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Cl+NaCOOH"	102.956829
"925265"	307.065986	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M-H+CF3COOH"	112.985586
"1294682"	343.042664	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Cl+CF3COOH"	148.962264
"1379407"	159.067724	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H-2H2O"	-35.012676
"1396904"	177.0777	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H-H2O"	-17.0027
"292214"	389.168076	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+H"	1.007276
"690480"	583.248476	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+H"	1.007276
"1366463"	195.087676	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H"	1.007276
"141253"	195.087676	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+2H"	2.014552
"580006"	292.127876	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+2H"	2.014552
"1052718"	98.047476	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2H"	2.014552
"219493"	130.394209333333	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+3H"	3.021828
"658446"	195.087676	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+3H"	3.021828
"1177666"	65.7007426666667	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+3H"	3.021828
"439331"	406.194623	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+NH4"	18.033823
"800246"	600.275023	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+NH4"	18.033823
"1696538"	212.114223	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+NH4"	18.033823
"345265"	203.6009495	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+H+NH4"	19.041099
"738172"	300.6411495	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+H+NH4"	19.041099
"1492071"	106.5607495	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H+NH4"	19.041099
"402725"	411.150018	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+Na"	22.989218
"764815"	605.230418	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+Na"	22.989218
"1615100"	217.069618	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Na"	22.989218
"328052"	206.078647	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+H+Na"	23.996494
"710997"	303.118847	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+H+Na"	23.996494
"1468103"	109.038447	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H+Na"	23.996494
"1053448"	73.0280566666667	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2H+Na"	25.00377
"1267404"	227.113886	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+CH3OH+H"	33.033486
"384884"	427.123958	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+K"	38.963158
"749160"	621.204358	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+K"	38.963158
"1549029"	233.043558	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+K"	38.963158
"310576"	214.065617	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+H+K"	39.970434
"699717"	311.105817	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+H+K"	39.970434
"1455723"	117.025417	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H+K"	39.970434
"243233"	430.194626	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+ACN+H"	42.033826
"1222507"	236.114226	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+ACN+H"	42.033826
"1208334"	118.560751	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+ACN+2H"	43.041102
"202539"	433.13196	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+2Na-H"	44.97116
"635539"	627.21236	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+2Na-H"	44.97116
"1134303"	239.05156	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2Na-H"	44.97116
"186356"	217.069618	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+2Na"	45.978436
"624091"	314.109818	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+2Na"	45.978436
"1127599"	120.029418	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2Na"	45.978436
"1411856"	80.3553706666667	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H+2Na"	46.985712
"1444576"	241.093146	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H+HCOOH"	47.012746
"231839"	222.10264	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+3H2O+2H"	56.04448
"1519902"	255.14519	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+IsoProp+H"	61.06479
"420683"	225.056588	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+Na+K"	61.952376
"778397"	322.096788	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+Na+K"	61.952376
"1674727"	128.016388	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Na+K"	61.952376
"257967"	452.176568	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+ACN+Na"	64.015768
"1227394"	258.096168	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+ACN+Na"	64.015768
"1717372"	258.119693	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+NH4+HCOOH"	64.039293
"1181266"	87.6826846666667	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+3Na"	68.967654
"1656995"	263.075088	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Na+HCOOH"	68.994688
"159236"	465.07984	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+2K-H"	76.91904
"598795"	659.16024	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+2K-H"	76.91904
"1095587"	270.99944	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2K-H"	76.91904
"156664"	233.043558	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"2M+2K"	77.926316
"594760"	330.083758	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"3M+2K"	77.926316
"1077569"	136.003358	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2K"	77.926316
"1111873"	273.013992	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2K+H"	78.933592
"1347165"	273.101607	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+DMSO+H"	79.021207
"1012414"	277.140776	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2ACN+H"	83.060376
"1530539"	278.134408	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+IsoProp+Na+H"	84.054008
"996987"	139.074026	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+2ACN+2H"	84.067652
"1591490"	279.049028	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+K+HCOOH"	84.968628
"1422622"	309.080538	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+H+CF3COOH"	115.000138
"1162026"	159.587301	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+3ACN+2H"	125.094202
"1712597"	326.107085	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+NH4+CF3COOH"	132.026685
"1649053"	331.06248	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+Na+CF3COOH"	136.98208
"1586886"	347.03642	"C07481"	"Caffeine;137-Trimethylxanthine"	"C8H10N4O2"	"194.0804"	"M+K+CF3COOH"	152.95602
"804130"	585.2104	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M"	0
"978759"	566.19201	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-H2O-H"	-19.01839
"62903"	389.132990666667	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M-3H"	-3.021828
"502819"	584.203124	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M-3H"	-3.021828
"879947"	194.062857333333	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-3H"	-3.021828
"383"	584.203124	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M-2H"	-2.014552
"439978"	876.808324	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M-2H"	-2.014552
"817167"	291.597924	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-2H"	-2.014552
"78584"	1169.413524	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M-H"	-1.007276
"519038"	1754.623924	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M-H"	-1.007276
"898748"	584.203124	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-H"	-1.007276
"57504"	1186.440071	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M-2H+NH4"	16.019271
"497064"	1771.650471	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M-2H+NH4"	16.019271
"869763"	601.229671	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-2H+NH4"	16.019271
"37662"	1191.395466	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M-2H+Na"	20.974666
"481232"	1776.605866	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M-2H+Na"	20.974666
"850649"	606.185066	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-2H+Na"	20.974666
"1629299"	606.185066	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Na-2H"	20.974666
"99630"	602.191463	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M-H+Cl"	33.962126
"540282"	894.796663	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M-H+Cl"	33.962126
"933798"	309.586263	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-H+Cl"	33.962126
"275634"	1205.390202	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+Cl"	34.969402
"661493"	1790.600602	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+Cl"	34.969402
"1278274"	620.179802	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Cl"	34.969402
"28487"	1207.369406	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M-2H+K"	36.948606
"462579"	1792.579806	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M-2H+K"	36.948606
"841475"	622.159006	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-2H+K"	36.948606
"1563868"	622.159006	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+K-2H"	36.948606
"958166"	630.208594	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-H+HCOOH"	44.998194
"375077"	1215.419001	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+HCOOH-H"	44.998201
"360786"	1229.434651	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+Hac-H"	59.013851
"1508445"	644.224251	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Hac-H"	59.013851
"973398"	652.190551	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-H+NaCOOH"	66.980151
"121328"	620.179802	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+2Cl"	69.938804
"565474"	912.785002	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+2Cl"	69.938804
"1030781"	327.574602	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2Cl"	69.938804
"1255101"	664.129285	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Br"	78.918885
"1309528"	666.185272	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Cl+HCOOH"	80.974872
"1332493"	688.167229	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Cl+NaCOOH"	102.956829
"924647"	698.195986	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M-H+CF3COOH"	112.985586
"1300260"	734.172664	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Cl+CF3COOH"	148.962264
"1378423"	550.197724	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H-2H2O"	-35.012676
"1395919"	568.2077	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H-H2O"	-17.0027
"292324"	1171.428076	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+H"	1.007276
"691238"	1756.638476	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+H"	1.007276
"1366209"	586.217676	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H"	1.007276
"141037"	586.217676	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+2H"	2.014552
"579387"	878.822876	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+2H"	2.014552
"1051823"	293.612476	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2H"	2.014552
"214621"	391.147542666667	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+3H"	3.021828
"658556"	586.217676	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+3H"	3.021828
"1176316"	196.077409333333	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+3H"	3.021828
"438388"	1188.454623	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+NH4"	18.033823
"799868"	1773.665023	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+NH4"	18.033823
"1695834"	603.244223	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+NH4"	18.033823
"344475"	594.7309495	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+H+NH4"	19.041099
"737261"	887.3361495	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+H+NH4"	19.041099
"1490718"	302.1257495	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H+NH4"	19.041099
"399555"	1193.410018	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+Na"	22.989218
"759458"	1778.620418	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+Na"	22.989218
"1613023"	608.199618	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Na"	22.989218
"325976"	597.208647	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+H+Na"	23.996494
"711108"	889.813847	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+H+Na"	23.996494
"1464203"	304.603447	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H+Na"	23.996494
"1052786"	203.404723333333	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2H+Na"	25.00377
"1266421"	618.243886	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+CH3OH+H"	33.033486
"382808"	1209.383958	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+K"	38.963158
"750363"	1794.594358	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+K"	38.963158
"1548045"	624.173558	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+K"	38.963158
"308499"	605.195617	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+H+K"	39.970434
"698733"	897.800817	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+H+K"	39.970434
"1451459"	312.590417	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H+K"	39.970434
"241156"	1212.454626	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+ACN+H"	42.033826
"1224562"	627.244226	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+ACN+H"	42.033826
"1208686"	314.125751	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+ACN+2H"	43.041102
"199369"	1215.39196	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+2Na-H"	44.97116
"638930"	1800.60236	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+2Na-H"	44.97116
"1141341"	630.18156	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2Na-H"	44.97116
"187440"	608.199618	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+2Na"	45.978436
"623108"	900.804818	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+2Na"	45.978436
"1130991"	315.594418	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2Na"	45.978436
"1413061"	210.732037333333	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H+2Na"	46.985712
"1445461"	632.223146	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H+HCOOH"	47.012746
"230856"	613.23264	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+3H2O+2H"	56.04448
"1520011"	646.27519	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+IsoProp+H"	61.06479
"422980"	616.186588	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+Na+K"	61.952376
"776321"	908.791788	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+Na+K"	61.952376
"1673744"	323.581388	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Na+K"	61.952376
"259171"	1234.436568	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+ACN+Na"	64.015768
"1228597"	649.226168	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+ACN+Na"	64.015768
"1719669"	649.249693	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+NH4+HCOOH"	64.039293
"1181013"	218.059351333333	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+3Na"	68.967654
"1658198"	654.205088	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Na+HCOOH"	68.994688
"161777"	1247.33984	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+2K-H"	76.91904
"599392"	1832.55024	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+2K-H"	76.91904
"1095697"	662.12944	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2K-H"	76.91904
"157120"	624.173558	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"2M+2K"	77.926316
"594262"	916.778758	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"3M+2K"	77.926316
"1076586"	331.568358	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2K"	77.926316
"1111983"	664.143992	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2K+H"	78.933592
"1347275"	664.231607	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+DMSO+H"	79.021207
"1011431"	668.270776	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2ACN+H"	83.060376
"1530649"	669.264408	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+IsoProp+Na+H"	84.054008
"997097"	334.639026	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+2ACN+2H"	84.067652
"1591600"	670.179028	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+K+HCOOH"	84.968628
"1422732"	700.210538	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+H+CF3COOH"	115.000138
"1162500"	355.152301	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+3ACN+2H"	125.094202
"1712708"	717.237085	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+NH4+CF3COOH"	132.026685
"1649163"	722.19248	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+Na+CF3COOH"	136.98208
"1586996"	738.16642	"C07482"	"Montelukast"	"C35H36ClNO3S"	"585.2104"	"M+K+CF3COOH"	152.95602
"804240"	305.1277	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M"	0
"976682"	286.10931	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-H2O-H"	-19.01839
"68205"	202.411190666667	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M-3H"	-3.021828
"503755"	304.120424	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M-3H"	-3.021828
"884475"	100.701957333333	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-3H"	-3.021828
"3049"	304.120424	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M-2H"	-2.014552
"441146"	456.684274	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M-2H"	-2.014552
"820042"	151.556574	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-2H"	-2.014552
"79303"	609.248124	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M-H"	-1.007276
"520323"	914.375824	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M-H"	-1.007276
"899587"	304.120424	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-H"	-1.007276
"57614"	626.274671	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M-2H+NH4"	16.019271
"498267"	931.402371	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M-2H+NH4"	16.019271
"871695"	321.146971	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-2H+NH4"	16.019271
"37408"	631.230066	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M-2H+Na"	20.974666
"474415"	936.357766	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M-2H+Na"	20.974666
"851123"	326.102366	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-2H+Na"	20.974666
"1620658"	326.102366	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Na-2H"	20.974666
"101926"	322.108763	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M-H+Cl"	33.962126
"537474"	474.672613	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M-H+Cl"	33.962126
"929168"	169.544913	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-H+Cl"	33.962126
"271001"	645.224802	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+Cl"	34.969402
"663059"	950.352502	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+Cl"	34.969402
"1276192"	340.097102	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Cl"	34.969402
"22035"	647.204006	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M-2H+K"	36.948606
"462689"	952.331706	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M-2H+K"	36.948606
"837210"	342.076306	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-2H+K"	36.948606
"1563978"	342.076306	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+K-2H"	36.948606
"956606"	350.125894	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-H+HCOOH"	44.998194
"373364"	655.253601	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+HCOOH-H"	44.998201
"360169"	669.269251	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+Hac-H"	59.013851
"1507669"	364.141551	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Hac-H"	59.013851
"972657"	372.107851	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-H+NaCOOH"	66.980151
"124601"	340.097102	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+2Cl"	69.938804
"565091"	492.660952	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+2Cl"	69.938804
"1035995"	187.533252	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2Cl"	69.938804
"1254478"	384.046585	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Br"	78.918885
"1309637"	386.102572	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Cl+HCOOH"	80.974872
"1322762"	408.084529	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Cl+NaCOOH"	102.956829
"914913"	418.113286	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M-H+CF3COOH"	112.985586
"1292715"	454.089964	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Cl+CF3COOH"	148.962264
"1368690"	270.115024	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H-2H2O"	-35.012676
"1391654"	288.125	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H-H2O"	-17.0027
"291341"	611.262676	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+H"	1.007276
"689605"	916.390376	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+H"	1.007276
"1366923"	306.134976	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H"	1.007276
"141227"	306.134976	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+2H"	2.014552
"579859"	458.698826	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+2H"	2.014552
"1051448"	153.571126	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2H"	2.014552
"215460"	204.425742666667	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+3H"	3.021828
"658546"	306.134976	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+3H"	3.021828
"1175696"	102.716509333333	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+3H"	3.021828
"438618"	628.289223	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+NH4"	18.033823
"799250"	933.416923	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+NH4"	18.033823
"1694122"	323.161523	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+NH4"	18.033823
"343854"	314.6482495	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+H+NH4"	19.041099
"732629"	467.2120995	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+H+NH4"	19.041099
"1488638"	162.0843995	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H+NH4"	19.041099
"394562"	633.244618	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+Na"	22.989218
"756286"	938.372318	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+Na"	22.989218
"1604385"	328.116918	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Na"	22.989218
"318794"	317.125947	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+H+Na"	23.996494
"710124"	469.689797	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+H+Na"	23.996494
"1462123"	164.562097	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H+Na"	23.996494
"1052809"	110.043823333333	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2H+Na"	25.00377
"1258141"	338.161186	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+CH3OH+H"	33.033486
"377169"	649.218558	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+K"	38.963158
"748285"	954.346258	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+K"	38.963158
"1547062"	344.090858	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+K"	38.963158
"305329"	325.112917	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+H+K"	39.970434
"694832"	477.676767	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+H+K"	39.970434
"1447555"	172.549067	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H+K"	39.970434
"239077"	652.289226	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+ACN+H"	42.033826
"1218352"	347.161526	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+ACN+H"	42.033826
"1202233"	174.084401	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+ACN+2H"	43.041102
"194374"	655.22656	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+2Na-H"	44.97116
"632476"	960.35426	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+2Na-H"	44.97116
"1133795"	350.09886	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2Na-H"	44.97116
"184752"	328.116918	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+2Na"	45.978436
"622125"	480.680768	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+2Na"	45.978436
"1123445"	175.553068	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2Na"	45.978436
"1412436"	117.371137333333	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H+2Na"	46.985712
"1439084"	352.140446	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H+HCOOH"	47.012746
"228779"	333.14994	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+3H2O+2H"	56.04448
"1516840"	366.19249	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+IsoProp+H"	61.06479
"421997"	336.103888	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+Na+K"	61.952376
"774243"	488.667738	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+Na+K"	61.952376
"1671668"	183.540038	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Na+K"	61.952376
"258188"	674.271168	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+ACN+Na"	64.015768
"1227615"	369.143468	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+ACN+Na"	64.015768
"1717593"	369.166993	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+NH4+HCOOH"	64.039293
"1180756"	124.698451333333	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+3Na"	68.967654
"1651137"	374.122388	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Na+HCOOH"	68.994688
"157263"	687.17444	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+2K-H"	76.91904
"597507"	992.30214	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+2K-H"	76.91904
"1087057"	382.04674	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2K-H"	76.91904
"150436"	344.090858	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"2M+2K"	77.926316
"584893"	496.654708	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"3M+2K"	77.926316
"1072319"	191.527008	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2K"	77.926316
"1105532"	384.061292	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2K+H"	78.933592
"1347385"	384.148907	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+DMSO+H"	79.021207
"1011539"	388.188076	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2ACN+H"	83.060376
"1530759"	389.181708	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+IsoProp+Na+H"	84.054008
"997207"	194.597676	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+2ACN+2H"	84.067652
"1590616"	390.096328	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+K+HCOOH"	84.968628
"1422842"	420.127838	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+H+CF3COOH"	115.000138
"1160790"	215.110951	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+3ACN+2H"	125.094202
"1711432"	437.154385	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+NH4+CF3COOH"	132.026685
"1642707"	442.10978	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+Na+CF3COOH"	136.98208
"1580545"	458.08372	"C07484"	"Zaleplon"	"C17H15N5O"	"305.1277"	"M+K+CF3COOH"	152.95602
"807630"	206.1419	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M"	0
"980072"	187.12351	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-H2O-H"	-19.01839
"70500"	136.420657333333	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M-3H"	-3.021828
"507873"	205.134624	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M-3H"	-3.021828
"885679"	67.7066906666667	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-3H"	-3.021828
"2066"	205.134624	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M-2H"	-2.014552
"442106"	308.205574	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M-2H"	-2.014552
"820152"	102.063674	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-2H"	-2.014552
"79899"	411.276524	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M-H"	-1.007276
"520190"	617.418424	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M-H"	-1.007276
"899697"	205.134624	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-H"	-1.007276
"51891"	428.303071	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M-2H+NH4"	16.019271
"497284"	634.444971	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M-2H+NH4"	16.019271
"870712"	222.161171	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-2H+NH4"	16.019271
"37882"	433.258466	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M-2H+Na"	20.974666
"475255"	639.400366	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M-2H+Na"	20.974666
"851233"	227.116566	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-2H+Na"	20.974666
"1620401"	227.116566	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Na-2H"	20.974666
"96200"	223.122963	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M-H+Cl"	33.962126
"536855"	326.193913	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M-H+Cl"	33.962126
"928550"	120.052013	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-H+Cl"	33.962126
"269285"	447.253202	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+Cl"	34.969402
"660977"	653.395102	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+Cl"	34.969402
"1276303"	241.111302	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Cl"	34.969402
"22145"	449.232406	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M-2H+K"	36.948606
"464986"	655.374306	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M-2H+K"	36.948606
"837320"	243.090506	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-2H+K"	36.948606
"1560808"	243.090506	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+K-2H"	36.948606
"956595"	251.140094	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-H+HCOOH"	44.998194
"374932"	457.282001	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+HCOOH-H"	44.998201
"359792"	471.297651	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+Hac-H"	59.013851
"1508145"	265.155751	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Hac-H"	59.013851
"974064"	273.122051	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-H+NaCOOH"	66.980151
"125196"	241.111302	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+2Cl"	69.938804
"564998"	344.182252	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+2Cl"	69.938804
"1035378"	138.040352	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2Cl"	69.938804
"1252766"	285.060785	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Br"	78.918885
"1309748"	287.116772	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Cl+HCOOH"	80.974872
"1329433"	309.098729	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Cl+NaCOOH"	102.956829
"918304"	319.127486	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M-H+CF3COOH"	112.985586
"1289663"	355.104164	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Cl+CF3COOH"	148.962264
"1375361"	171.129224	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H-2H2O"	-35.012676
"1391764"	189.1392	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H-H2O"	-17.0027
"291451"	413.291076	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+H"	1.007276
"690444"	619.432976	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+H"	1.007276
"1365698"	207.149176	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H"	1.007276
"140041"	207.149176	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+2H"	2.014552
"580903"	310.220126	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+2H"	2.014552
"1049492"	104.078226	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2H"	2.014552
"216665"	138.435209333333	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+3H"	3.021828
"657320"	207.149176	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+3H"	3.021828
"1175078"	69.7212426666667	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+3H"	3.021828
"438363"	430.317623	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+NH4"	18.033823
"798995"	636.459523	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+NH4"	18.033823
"1694596"	224.175723	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+NH4"	18.033823
"343598"	215.6624495	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+H+NH4"	19.041099
"731646"	318.7333995	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+H+NH4"	19.041099
"1489477"	112.5914995	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H+NH4"	19.041099
"392968"	435.273018	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+Na"	22.989218
"755056"	641.414918	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+Na"	22.989218
"1602816"	229.131118	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Na"	22.989218
"316717"	218.140147	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+H+Na"	23.996494
"707315"	321.211097	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+H+Na"	23.996494
"1461863"	115.069197	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H+Na"	23.996494
"1053284"	77.0485566666667	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2H+Na"	25.00377
"1259709"	239.175386	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+CH3OH+H"	33.033486
"377916"	451.246958	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+K"	38.963158
"739269"	657.388858	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+K"	38.963158
"1546078"	245.105058	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+K"	38.963158
"304346"	226.127117	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+H+K"	39.970434
"694575"	329.198067	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+H+K"	39.970434
"1445960"	123.056167	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H+K"	39.970434
"239187"	454.317626	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+ACN+H"	42.033826
"1217370"	248.175726	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+ACN+H"	42.033826
"1201252"	124.591501	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+ACN+2H"	43.041102
"196308"	457.25496	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+2Na-H"	44.97116
"634776"	663.39686	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+2Na-H"	44.97116
"1135728"	251.11306	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2Na-H"	44.97116
"183769"	229.131118	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+2Na"	45.978436
"616766"	332.202068	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+2Na"	45.978436
"1123555"	126.060168	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2Na"	45.978436
"1405986"	84.3758706666667	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H+2Na"	46.985712
"1440288"	253.154646	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H+HCOOH"	47.012746
"226702"	234.16414	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+3H2O+2H"	56.04448
"1513670"	267.20669	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+IsoProp+H"	61.06479
"418827"	237.118088	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+Na+K"	61.952376
"771438"	340.189038	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+Na+K"	61.952376
"1666673"	134.047138	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Na+K"	61.952376
"255382"	476.299568	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+ACN+Na"	64.015768
"1226628"	270.157668	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+ACN+Na"	64.015768
"1715149"	270.181193	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+NH4+HCOOH"	64.039293
"1178753"	91.7031846666667	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+3Na"	68.967654
"1650511"	275.136588	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Na+HCOOH"	68.994688
"157616"	489.20284	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+2K-H"	76.91904
"597782"	695.34474	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+2K-H"	76.91904
"1087167"	283.06094	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2K-H"	76.91904
"151640"	245.105058	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"2M+2K"	77.926316
"585003"	348.176008	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"3M+2K"	77.926316
"1069633"	142.034108	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2K"	77.926316
"1104548"	285.075492	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2K+H"	78.933592
"1346402"	285.163107	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+DMSO+H"	79.021207
"1010556"	289.202276	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2ACN+H"	83.060376
"1527589"	290.195908	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+IsoProp+Na+H"	84.054008
"997317"	145.104776	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+2ACN+2H"	84.067652
"1589997"	291.110528	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+K+HCOOH"	84.968628
"1428421"	321.142038	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+H+CF3COOH"	115.000138
"1160899"	165.618051	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+3ACN+2H"	125.094202
"1711542"	338.168585	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+NH4+CF3COOH"	132.026685
"1647192"	343.12398	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+Na+CF3COOH"	136.98208
"1580655"	359.09792	"C07485"	"Oxotremorine"	"C12H18N2O"	"206.1419"	"M+K+CF3COOH"	152.95602
"805553"	270.056	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M"	0
"981275"	251.03761	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-H2O-H"	-19.01839
"69516"	179.030057333333	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M-3H"	-3.021828
"509076"	269.048724	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M-3H"	-3.021828
"885786"	89.0113906666667	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-3H"	-3.021828
"5453"	269.048724	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M-2H"	-2.014552
"440310"	404.076724	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M-2H"	-2.014552
"819898"	134.020724	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-2H"	-2.014552
"80008"	539.104724	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M-H"	-1.007276
"520180"	809.160724	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M-H"	-1.007276
"899079"	269.048724	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-H"	-1.007276
"54552"	556.131271	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M-2H+NH4"	16.019271
"501281"	826.187271	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M-2H+NH4"	16.019271
"873008"	286.075271	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-2H+NH4"	16.019271
"37628"	561.086666	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M-2H+Na"	20.974666
"477551"	831.142666	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M-2H+Na"	20.974666
"851708"	291.030666	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-2H+Na"	20.974666
"1621241"	291.030666	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Na-2H"	20.974666
"96310"	287.037063	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M-H+Cl"	33.962126
"536236"	422.065063	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M-H+Cl"	33.962126
"930481"	152.009063	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-H+Cl"	33.962126
"269031"	575.081402	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+Cl"	34.969402
"661452"	845.137402	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+Cl"	34.969402
"1275320"	305.025402	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Cl"	34.969402
"22255"	577.060606	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M-2H+K"	36.948606
"466189"	847.116606	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M-2H+K"	36.948606
"837430"	307.004606	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-2H+K"	36.948606
"1560918"	307.004606	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+K-2H"	36.948606
"957189"	315.054194	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-H+HCOOH"	44.998194
"376501"	585.110201	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+HCOOH-H"	44.998201
"360798"	599.125851	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+Hac-H"	59.013851
"1507279"	329.069851	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Hac-H"	59.013851
"972023"	337.036151	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-H+NaCOOH"	66.980151
"124211"	305.025402	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+2Cl"	69.938804
"565229"	440.053402	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+2Cl"	69.938804
"1034391"	169.997402	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2Cl"	69.938804
"1256642"	348.974885	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Br"	78.918885
"1309858"	351.030872	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Cl+HCOOH"	80.974872
"1329543"	373.012829	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Cl+NaCOOH"	102.956829
"920600"	383.041586	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M-H+CF3COOH"	112.985586
"1290380"	419.018264	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Cl+CF3COOH"	148.962264
"1373284"	235.043324	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H-2H2O"	-35.012676
"1388593"	253.0533	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H-H2O"	-17.0027
"289374"	541.119276	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+H"	1.007276
"690188"	811.175276	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+H"	1.007276
"1364350"	271.063276	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H"	1.007276
"140154"	271.063276	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+2H"	2.014552
"579714"	406.091276	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+2H"	2.014552
"1050696"	136.035276	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2H"	2.014552
"218597"	181.044609333333	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+3H"	3.021828
"657428"	271.063276	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+3H"	3.021828
"1174458"	91.0259426666667	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+3H"	3.021828
"439808"	558.145823	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+NH4"	18.033823
"800197"	828.201823	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+NH4"	18.033823
"1695432"	288.089823	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+NH4"	18.033823
"344800"	279.5765495	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+H+NH4"	19.041099
"731754"	414.6045495	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+H+NH4"	19.041099
"1489950"	144.5485495	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H+NH4"	19.041099
"394049"	563.101218	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+Na"	22.989218
"755167"	833.157218	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+Na"	22.989218
"1603874"	293.045218	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Na"	22.989218
"321200"	282.054247	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+H+Na"	23.996494
"708276"	417.082247	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+H+Na"	23.996494
"1463069"	147.026247	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H+Na"	23.996494
"1053153"	98.3532566666667	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2H+Na"	25.00377
"1259089"	303.089486	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+CH3OH+H"	33.033486
"380578"	579.075158	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+K"	38.963158
"739749"	849.131158	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+K"	38.963158
"1545093"	309.019158	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+K"	38.963158
"302634"	290.041217	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+H+K"	39.970434
"694685"	425.069217	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+H+K"	39.970434
"1446194"	155.013217	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H+K"	39.970434
"240025"	582.145826	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+ACN+H"	42.033826
"1218573"	312.089826	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+ACN+H"	42.033826
"1201361"	156.548551	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+ACN+2H"	43.041102
"194232"	585.08316	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+2Na-H"	44.97116
"634520"	855.13916	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+2Na-H"	44.97116
"1135107"	315.02716	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2Na-H"	44.97116
"183879"	293.045218	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+2Na"	45.978436
"617969"	428.073218	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+2Na"	45.978436
"1123665"	158.017218	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2Na"	45.978436
"1406096"	105.680570666667	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H+2Na"	46.985712
"1439304"	317.068746	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H+HCOOH"	47.012746
"226812"	298.07824	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+3H2O+2H"	56.04448
"1513050"	331.12079	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+IsoProp+H"	61.06479
"414563"	301.032188	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+Na+K"	61.952376
"772032"	436.060188	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+Na+K"	61.952376
"1669334"	166.004188	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Na+K"	61.952376
"255128"	604.127768	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+ACN+Na"	64.015768
"1227224"	334.071768	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+ACN+Na"	64.015768
"1714528"	334.095293	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+NH4+HCOOH"	64.039293
"1179391"	113.007884666667	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+3Na"	68.967654
"1651231"	339.050688	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Na+HCOOH"	68.994688
"157645"	617.03104	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+2K-H"	76.91904
"598498"	887.08704	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+2K-H"	76.91904
"1087277"	346.97504	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2K-H"	76.91904
"149563"	309.019158	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"2M+2K"	77.926316
"584747"	444.047158	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"3M+2K"	77.926316
"1070473"	173.991158	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2K"	77.926316
"1105751"	348.989592	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2K+H"	78.933592
"1341042"	349.077207	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+DMSO+H"	79.021207
"1010666"	353.116376	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2ACN+H"	83.060376
"1528792"	354.110008	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+IsoProp+Na+H"	84.054008
"996334"	177.061826	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+2ACN+2H"	84.067652
"1589743"	355.024628	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+K+HCOOH"	84.968628
"1427438"	385.056138	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+H+CF3COOH"	115.000138
"1162225"	197.575101	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+3ACN+2H"	125.094202
"1712261"	402.082685	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+NH4+CF3COOH"	132.026685
"1648395"	407.03808	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+Na+CF3COOH"	136.98208
"1580765"	423.01202	"C07486"	"Nordazepam;Desmethyldiazepam;7-Chloro-13-dihydro-5-phenyl-(2H)-14-benzodiazepin-2-one"	"C15H11ClN2O"	"270.056"	"M+K+CF3COOH"	152.95602
"804570"	281.08	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M"	0
"984666"	262.06161	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-H2O-H"	-19.01839
"67440"	186.379390666667	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M-3H"	-3.021828
"507000"	280.072724	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M-3H"	-3.021828
"886985"	92.6860573333333	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-3H"	-3.021828
"4468"	280.072724	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M-2H"	-2.014552
"440872"	420.612724	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M-2H"	-2.014552
"820009"	139.532724	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-2H"	-2.014552
"80363"	561.152724	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M-H"	-1.007276
"519925"	842.232724	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M-H"	-1.007276
"898460"	280.072724	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-H"	-1.007276
"60859"	578.179271	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M-2H+NH4"	16.019271
"501512"	859.259271	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M-2H+NH4"	16.019271
"873118"	297.099271	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-2H+NH4"	16.019271
"34090"	583.134666	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M-2H+Na"	20.974666
"477297"	864.214666	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M-2H+Na"	20.974666
"850725"	302.054666	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-2H+Na"	20.974666
"1620622"	302.054666	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Na-2H"	20.974666
"96781"	298.061063	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M-H+Cl"	33.962126
"536338"	438.601063	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M-H+Cl"	33.962126
"929857"	157.521063	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-H+Cl"	33.962126
"267804"	597.129402	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+Cl"	34.969402
"661197"	878.209402	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+Cl"	34.969402
"1274702"	316.049402	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Cl"	34.969402
"20175"	599.108606	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M-2H+K"	36.948606
"456579"	880.188606	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M-2H+K"	36.948606
"837540"	318.028606	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-2H+K"	36.948606
"1561028"	318.028606	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+K-2H"	36.948606
"955842"	326.078194	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-H+HCOOH"	44.998194
"376611"	607.158201	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+HCOOH-H"	44.998201
"360859"	621.173851	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+Hac-H"	59.013851
"1507874"	340.093851	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Hac-H"	59.013851
"967393"	348.060151	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-H+NaCOOH"	66.980151
"125049"	316.049402	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+2Cl"	69.938804
"564608"	456.589402	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+2Cl"	69.938804
"1032313"	175.509402	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2Cl"	69.938804
"1254079"	359.998885	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Br"	78.918885
"1308875"	362.054872	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Cl+HCOOH"	80.974872
"1325278"	384.036829	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Cl+NaCOOH"	102.956829
"914149"	394.065586	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M-H+CF3COOH"	112.985586
"1293043"	430.042264	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Cl+CF3COOH"	148.962264
"1368290"	246.067324	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H-2H2O"	-35.012676
"1388703"	264.0773	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H-H2O"	-17.0027
"290577"	563.167276	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+H"	1.007276
"687743"	844.247276	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+H"	1.007276
"1364823"	282.087276	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H"	1.007276
"138437"	282.087276	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+2H"	2.014552
"579824"	422.627276	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+2H"	2.014552
"1051903"	141.547276	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2H"	2.014552
"216156"	188.393942666667	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+3H"	3.021828
"655714"	282.087276	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+3H"	3.021828
"1171652"	94.7006093333333	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+3H"	3.021828
"439069"	580.193823	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+NH4"	18.033823
"798484"	861.273823	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+NH4"	18.033823
"1695178"	299.113823	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+NH4"	18.033823
"344182"	290.6005495	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+H+NH4"	19.041099
"734780"	431.1405495	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+H+NH4"	19.041099
"1489696"	150.0605495	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H+NH4"	19.041099
"402181"	585.149218	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+Na"	22.989218
"756249"	866.229218	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+Na"	22.989218
"1605442"	304.069218	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Na"	22.989218
"321310"	293.078247	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+H+Na"	23.996494
"708994"	433.618247	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+H+Na"	23.996494
"1464272"	152.538247	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H+Na"	23.996494
"1055333"	102.027923333333	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2H+Na"	25.00377
"1262480"	314.113486	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+CH3OH+H"	33.033486
"382146"	601.123158	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+K"	38.963158
"742047"	882.203158	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+K"	38.963158
"1543380"	320.043158	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+K"	38.963158
"304567"	301.065217	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+H+K"	39.970434
"699172"	441.605217	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+H+K"	39.970434
"1448251"	160.525217	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H+K"	39.970434
"241231"	604.193826	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+ACN+H"	42.033826
"1218683"	323.113826	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+ACN+H"	42.033826
"1201471"	162.060551	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+ACN+2H"	43.041102
"194342"	607.13116	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+2Na-H"	44.97116
"634630"	888.21116	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+2Na-H"	44.97116
"1141782"	326.05116	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2Na-H"	44.97116
"183989"	304.069218	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+2Na"	45.978436
"618079"	444.609218	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+2Na"	45.978436
"1122681"	163.529218	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2Na"	45.978436
"1407298"	109.355237333333	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H+2Na"	46.985712
"1440507"	328.092746	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H+HCOOH"	47.012746
"226923"	309.10224	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+3H2O+2H"	56.04448
"1518265"	342.14479	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+IsoProp+H"	61.06479
"413579"	312.056188	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+Na+K"	61.952376
"775668"	452.596188	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+Na+K"	61.952376
"1671998"	171.516188	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Na+K"	61.952376
"259611"	626.175768	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+ACN+Na"	64.015768
"1227213"	345.095768	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+ACN+Na"	64.015768
"1714762"	345.119293	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+NH4+HCOOH"	64.039293
"1179628"	116.682551333333	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+3Na"	68.967654
"1651101"	350.074688	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Na+HCOOH"	68.994688
"160029"	639.07904	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+2K-H"	76.91904
"598008"	920.15904	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+2K-H"	76.91904
"1089573"	357.99904	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2K-H"	76.91904
"149674"	320.043158	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"2M+2K"	77.926316
"588139"	460.583158	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"3M+2K"	77.926316
"1073743"	179.503158	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2K"	77.926316
"1108047"	360.013592	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2K+H"	78.933592
"1341152"	360.101207	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+DMSO+H"	79.021207
"1011870"	364.140376	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2ACN+H"	83.060376
"1528902"	365.134008	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+IsoProp+Na+H"	84.054008
"996444"	182.573826	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+2ACN+2H"	84.067652
"1592040"	366.048628	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+K+HCOOH"	84.968628
"1416605"	396.080138	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+H+CF3COOH"	115.000138
"1161850"	203.087101	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+3ACN+2H"	125.094202
"1712457"	413.106685	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+NH4+CF3COOH"	132.026685
"1649598"	418.06208	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+Na+CF3COOH"	136.98208
"1580875"	434.03602	"C07487"	"Nitrazepam"	"C15H11N3O3"	"281.08"	"M+K+CF3COOH"	152.95602
"804680"	318.0593	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M"	0
"982589"	299.04091	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-H2O-H"	-19.01839
"64269"	211.032257333333	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M-3H"	-3.021828
"504923"	317.052024	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M-3H"	-3.021828
"886002"	105.012490666667	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-3H"	-3.021828
"2390"	317.052024	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M-2H"	-2.014552
"443044"	476.081674	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M-2H"	-2.014552
"820846"	158.022374	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-2H"	-2.014552
"80471"	635.111324	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M-H"	-1.007276
"520760"	953.170624	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M-H"	-1.007276
"897841"	317.052024	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-H"	-1.007276
"48932"	652.137871	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M-2H+NH4"	16.019271
"499801"	970.197171	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M-2H+NH4"	16.019271
"875416"	334.078571	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-2H+NH4"	16.019271
"34929"	657.093266	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M-2H+Na"	20.974666
"476678"	975.152566	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M-2H+Na"	20.974666
"851563"	339.033966	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-2H+Na"	20.974666
"1620732"	339.033966	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Na-2H"	20.974666
"95070"	335.040363	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M-H+Cl"	33.962126
"536085"	494.070013	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M-H+Cl"	33.962126
"927578"	176.010713	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-H+Cl"	33.962126
"268882"	671.088002	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+Cl"	34.969402
"661064"	989.147302	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+Cl"	34.969402
"1275175"	353.028702	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Cl"	34.969402
"16190"	673.067206	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M-2H+K"	36.948606
"459848"	991.126506	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M-2H+K"	36.948606
"837650"	355.007906	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-2H+K"	36.948606
"1557857"	355.007906	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+K-2H"	36.948606
"957776"	363.057494	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-H+HCOOH"	44.998194
"376356"	681.116801	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+HCOOH-H"	44.998201
"361099"	695.132451	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+Hac-H"	59.013851
"1507865"	377.073151	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Hac-H"	59.013851
"971513"	385.039451	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-H+NaCOOH"	66.980151
"124552"	353.028702	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+2Cl"	69.938804
"563990"	512.058352	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+2Cl"	69.938804
"1031330"	193.999052	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2Cl"	69.938804
"1255283"	396.978185	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Br"	78.918885
"1311172"	399.034172	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Cl+HCOOH"	80.974872
"1320647"	421.016129	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Cl+NaCOOH"	102.956829
"913165"	431.044886	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M-H+CF3COOH"	112.985586
"1290237"	467.021564	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Cl+CF3COOH"	148.962264
"1371316"	283.046624	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H-2H2O"	-35.012676
"1391000"	301.0566	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H-H2O"	-17.0027
"293967"	637.125876	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+H"	1.007276
"684202"	955.185176	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+H"	1.007276
"1364566"	319.066576	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H"	1.007276
"137815"	319.066576	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+2H"	2.014552
"576286"	478.096226	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+2H"	2.014552
"1047269"	160.036926	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2H"	2.014552
"212983"	213.046809333333	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+3H"	3.021828
"652544"	319.066576	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+3H"	3.021828
"1168482"	107.027042666667	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+3H"	3.021828
"437231"	654.152423	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+NH4"	18.033823
"800172"	972.211723	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+NH4"	18.033823
"1695648"	336.093123	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+NH4"	18.033823
"341737"	327.5798495	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+H+NH4"	19.041099
"730880"	486.6094995	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+H+NH4"	19.041099
"1486888"	168.5501995	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H+NH4"	19.041099
"400104"	659.107818	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+Na"	22.989218
"756359"	977.167118	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+Na"	22.989218
"1609196"	341.048518	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Na"	22.989218
"322513"	330.057547	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+H+Na"	23.996494
"710563"	489.087197	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+H+Na"	23.996494
"1461950"	171.027897	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H+Na"	23.996494
"1054713"	114.354356666667	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2H+Na"	25.00377
"1260766"	351.092786	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+CH3OH+H"	33.033486
"380433"	675.081758	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+K"	38.963158
"742157"	993.141058	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+K"	38.963158
"1539935"	357.022458	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+K"	38.963158
"302122"	338.044517	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+H+K"	39.970434
"693448"	497.074167	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+H+K"	39.970434
"1448360"	179.014867	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H+K"	39.970434
"239884"	678.152426	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+ACN+H"	42.033826
"1218793"	360.093126	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+ACN+H"	42.033826
"1198300"	180.550201	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+ACN+2H"	43.041102
"192628"	681.08976	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+2Na-H"	44.97116
"635105"	999.14906	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+2Na-H"	44.97116
"1140435"	363.03046	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2Na-H"	44.97116
"184099"	341.048518	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+2Na"	45.978436
"618189"	500.078168	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+2Na"	45.978436
"1121697"	182.018868	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2Na"	45.978436
"1404126"	121.681670666667	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H+2Na"	46.985712
"1434055"	365.072046	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H+HCOOH"	47.012746
"222291"	346.08154	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+3H2O+2H"	56.04448
"1514000"	379.12409	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+IsoProp+H"	61.06479
"414782"	349.035488	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+Na+K"	61.952376
"775778"	508.065138	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+Na+K"	61.952376
"1666028"	190.005838	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Na+K"	61.952376
"252671"	700.134368	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+ACN+Na"	64.015768
"1226595"	382.075068	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+ACN+Na"	64.015768
"1715479"	382.098593	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+NH4+HCOOH"	64.039293
"1178598"	129.008984666667	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+3Na"	68.967654
"1651819"	387.053988	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Na+HCOOH"	68.994688
"159774"	713.03764	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+2K-H"	76.91904
"600063"	1031.09694	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+2K-H"	76.91904
"1089683"	394.97834	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2K-H"	76.91904
"149784"	357.022458	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"2M+2K"	77.926316
"589342"	516.052108	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"3M+2K"	77.926316
"1073853"	197.992808	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2K"	77.926316
"1109250"	396.992892	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2K+H"	78.933592
"1343448"	397.080507	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+DMSO+H"	79.021207
"1013070"	401.119676	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2ACN+H"	83.060376
"1531199"	402.113308	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+IsoProp+Na+H"	84.054008
"999834"	201.063476	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+2ACN+2H"	84.067652
"1592149"	403.027928	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+K+HCOOH"	84.968628
"1416715"	433.059438	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+H+CF3COOH"	115.000138
"1161475"	221.576751	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+3ACN+2H"	125.094202
"1711997"	450.085985	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+NH4+CF3COOH"	132.026685
"1646428"	455.04138	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+Na+CF3COOH"	136.98208
"1577705"	471.01532	"C07488"	"DMPP;Dimethylphenylpiperazinium iodide;11-Dimethyl-4-phenylpiperazinium Iodide"	"C12H19N2I"	"318.0593"	"M+K+CF3COOH"	152.95602
"814267"	217.1103	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M"	0
"983793"	198.09191	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-H2O-H"	-19.01839
"70939"	143.732924	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M-3H"	-3.021828
"512687"	216.103024	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M-3H"	-3.021828
"888299"	71.362824	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-3H"	-3.021828
"4687"	216.103024	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M-2H"	-2.014552
"447527"	324.658174	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M-2H"	-2.014552
"826422"	107.547874	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-2H"	-2.014552
"81678"	433.213324	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M-H"	-1.007276
"521601"	650.323624	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M-H"	-1.007276
"899409"	216.103024	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-H"	-1.007276
"50500"	450.239871	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M-2H+NH4"	16.019271
"490791"	667.350171	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M-2H+NH4"	16.019271
"874797"	233.129571	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-2H+NH4"	16.019271
"35404"	455.195266	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M-2H+Na"	20.974666
"476424"	672.305566	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M-2H+Na"	20.974666
"852402"	238.084966	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-2H+Na"	20.974666
"1621934"	238.084966	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Na-2H"	20.974666
"95909"	234.091363	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M-H+Cl"	33.962126
"537290"	342.646513	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M-H+Cl"	33.962126
"928256"	125.536213	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-H+Cl"	33.962126
"269362"	469.190002	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+Cl"	34.969402
"662026"	686.300302	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+Cl"	34.969402
"1275285"	252.079702	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Cl"	34.969402
"17477"	471.169206	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M-2H+K"	36.948606
"461050"	688.279506	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M-2H+K"	36.948606
"839946"	254.058906	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-2H+K"	36.948606
"1559059"	254.058906	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+K-2H"	36.948606
"956792"	262.108494	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-H+HCOOH"	44.998194
"376550"	479.218801	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+HCOOH-H"	44.998201
"360963"	493.234451	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+Hac-H"	59.013851
"1507973"	276.124151	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Hac-H"	59.013851
"970893"	284.090451	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-H+NaCOOH"	66.980151
"124663"	252.079702	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+2Cl"	69.938804
"564344"	360.634852	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+2Cl"	69.938804
"1032533"	143.524552	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2Cl"	69.938804
"1255636"	296.029185	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Br"	78.918885
"1312375"	298.085172	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Cl+HCOOH"	80.974872
"1321122"	320.067129	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Cl+NaCOOH"	102.956829
"914368"	330.095886	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M-H+CF3COOH"	112.985586
"1293262"	366.072564	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Cl+CF3COOH"	148.962264
"1371426"	182.097624	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H-2H2O"	-35.012676
"1391110"	200.1076	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H-H2O"	-17.0027
"291889"	435.227876	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+H"	1.007276
"684311"	652.338176	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+H"	1.007276
"1364312"	218.117576	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H"	1.007276
"138660"	218.117576	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+2H"	2.014552
"575301"	326.672726	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+2H"	2.014552
"1050659"	109.562426	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2H"	2.014552
"215280"	145.747476	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+3H"	3.021828
"649008"	218.117576	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+3H"	3.021828
"1174058"	73.377376	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+3H"	3.021828
"438075"	452.254423	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+NH4"	18.033823
"800281"	669.364723	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+NH4"	18.033823
"1695030"	235.144123	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+NH4"	18.033823
"341847"	226.6308495	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+H+NH4"	19.041099
"728803"	335.1859995	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+H+NH4"	19.041099
"1484811"	118.0756995	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H+NH4"	19.041099
"400213"	457.209818	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+Na"	22.989218
"757198"	674.320118	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+Na"	22.989218
"1608213"	240.099518	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Na"	22.989218
"320439"	229.108547	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+H+Na"	23.996494
"711766"	337.663697	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+H+Na"	23.996494
"1464495"	120.553397	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H+Na"	23.996494
"1056648"	80.70469	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2H+Na"	25.00377
"1261605"	250.143786	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+CH3OH+H"	33.033486
"381273"	473.183758	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+K"	38.963158
"742268"	690.294058	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+K"	38.963158
"1541039"	256.073458	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+K"	38.963158
"298991"	237.095517	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+H+K"	39.970434
"692465"	345.650667	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+H+K"	39.970434
"1447013"	128.540367	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H+K"	39.970434
"236345"	476.254426	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+ACN+H"	42.033826
"1218903"	259.144126	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+ACN+H"	42.033826
"1199504"	130.075701	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+ACN+2H"	43.041102
"192739"	479.19176	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+2Na-H"	44.97116
"635216"	696.30206	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+2Na-H"	44.97116
"1144433"	262.08146	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2Na-H"	44.97116
"182022"	240.099518	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+2Na"	45.978436
"621216"	348.654668	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+2Na"	45.978436
"1119621"	131.544368	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2Na"	45.978436
"1405330"	88.032004	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H+2Na"	46.985712
"1434164"	264.123046	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H+HCOOH"	47.012746
"220533"	245.13254	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+3H2O+2H"	56.04448
"1509369"	278.17509	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+IsoProp+H"	61.06479
"411612"	248.086488	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+Na+K"	61.952376
"773700"	356.641638	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+Na+K"	61.952376
"1665813"	139.531338	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Na+K"	61.952376
"252537"	498.236368	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+ACN+Na"	64.015768
"1227430"	281.126068	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+ACN+Na"	64.015768
"1714130"	281.149593	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+NH4+HCOOH"	64.039293
"1178785"	95.359318	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+3Na"	68.967654
"1650836"	286.104988	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Na+HCOOH"	68.994688
"159520"	511.13964	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+2K-H"	76.91904
"599808"	728.24994	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+2K-H"	76.91904
"1088700"	294.02934	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2K-H"	76.91904
"152081"	256.073458	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"2M+2K"	77.926316
"586172"	364.628608	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"3M+2K"	77.926316
"1077245"	147.518308	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2K"	77.926316
"1107173"	296.043892	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2K+H"	78.933592
"1344654"	296.131507	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+DMSO+H"	79.021207
"1014274"	300.170676	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2ACN+H"	83.060376
"1531309"	301.164308	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+IsoProp+Na+H"	84.054008
"1001037"	150.588976	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+2ACN+2H"	84.067652
"1591166"	302.078928	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+K+HCOOH"	84.968628
"1417918"	332.110438	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+H+CF3COOH"	115.000138
"1160976"	171.102251	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+3ACN+2H"	125.094202
"1711863"	349.136985	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+NH4+CF3COOH"	132.026685
"1646538"	354.09238	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+Na+CF3COOH"	136.98208
"1577815"	370.06632	"C07489"	"Glutethimide;2-Ethyl-2-phenylglutarimide"	"C13H15NO2"	"217.1103"	"M+K+CF3COOH"	152.95602
"808180"	147.9249	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M"	0
"983902"	128.90651	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-H2O-H"	-19.01839
"64489"	97.609324	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M-3H"	-3.021828
"512797"	146.917624	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M-3H"	-3.021828
"887316"	48.301024	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-3H"	-3.021828
"3704"	146.917624	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M-2H"	-2.014552
"447637"	220.880074	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M-2H"	-2.014552
"825440"	72.955174	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-2H"	-2.014552
"82150"	294.842524	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M-H"	-1.007276
"521711"	442.767424	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M-H"	-1.007276
"898789"	146.917624	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-H"	-1.007276
"49517"	311.869071	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M-2H+NH4"	16.019271
"491630"	459.793971	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M-2H+NH4"	16.019271
"869434"	163.944171	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-2H+NH4"	16.019271
"36240"	316.824466	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M-2H+Na"	20.974666
"476534"	464.749366	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M-2H+Na"	20.974666
"852145"	168.899566	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-2H+Na"	20.974666
"1622409"	168.899566	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Na-2H"	20.974666
"95655"	164.905963	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M-H+Cl"	33.962126
"536671"	238.868413	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M-H+Cl"	33.962126
"929823"	90.943513	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-H+Cl"	33.962126
"270199"	330.819202	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+Cl"	34.969402
"661894"	478.744102	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+Cl"	34.969402
"1276855"	182.894302	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Cl"	34.969402
"18318"	332.798406	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M-2H+K"	36.948606
"457881"	480.723306	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M-2H+K"	36.948606
"840056"	184.873506	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-2H+K"	36.948606
"1563544"	184.873506	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+K-2H"	36.948606
"951431"	192.923094	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-H+HCOOH"	44.998194
"365270"	340.848001	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+HCOOH-H"	44.998201
"361272"	354.863651	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+Hac-H"	59.013851
"1507722"	206.938751	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Hac-H"	59.013851
"973926"	214.905051	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-H+NaCOOH"	66.980151
"125587"	182.894302	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+2Cl"	69.938804
"565311"	256.856752	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+2Cl"	69.938804
"1036819"	108.931852	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2Cl"	69.938804
"1255869"	226.843785	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Br"	78.918885
"1313578"	228.899772	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Cl+HCOOH"	80.974872
"1323419"	250.881729	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Cl+NaCOOH"	102.956829
"918851"	260.910486	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M-H+CF3COOH"	112.985586
"1293372"	296.887164	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Cl+CF3COOH"	148.962264
"1371536"	112.912224	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H-2H2O"	-35.012676
"1392314"	130.9222	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H-H2O"	-17.0027
"289813"	296.857076	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+H"	1.007276
"681141"	444.781976	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+H"	1.007276
"1364055"	148.932176	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H"	1.007276
"139858"	148.932176	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+2H"	2.014552
"571037"	222.894626	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+2H"	2.014552
"1049677"	74.969726	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2H"	2.014552
"212110"	99.623876	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+3H"	3.021828
"649117"	148.932176	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+3H"	3.021828
"1174168"	50.315576	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+3H"	3.021828
"438671"	313.883623	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+NH4"	18.033823
"798809"	461.808523	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+NH4"	18.033823
"1696232"	165.958723	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+NH4"	18.033823
"341957"	157.4454495	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+H+NH4"	19.041099
"728913"	231.4078995	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+H+NH4"	19.041099
"1483826"	83.4829995	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H+NH4"	19.041099
"399230"	318.839018	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+Na"	22.989218
"758402"	466.763918	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+Na"	22.989218
"1607229"	170.914118	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Na"	22.989218
"317630"	159.923147	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+H+Na"	23.996494
"712971"	233.885597	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+H+Na"	23.996494
"1467885"	85.960697	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H+Na"	23.996494
"1058944"	57.64289	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2H+Na"	25.00377
"1264996"	180.958386	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+CH3OH+H"	33.033486
"383570"	334.812958	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+K"	38.963158
"742378"	482.737858	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+K"	38.963158
"1543337"	186.888058	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+K"	38.963158
"301615"	167.910117	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+H+K"	39.970434
"693304"	241.872567	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+H+K"	39.970434
"1447852"	93.947667	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H+K"	39.970434
"237548"	337.883626	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+ACN+H"	42.033826
"1219013"	189.958726	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+ACN+H"	42.033826
"1197427"	95.483001	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+ACN+2H"	43.041102
"190661"	340.82096	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+2Na-H"	44.97116
"638607"	488.74586	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+2Na-H"	44.97116
"1144301"	192.89606	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2Na-H"	44.97116
"182132"	170.914118	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+2Na"	45.978436
"622784"	244.876568	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+2Na"	45.978436
"1123011"	96.951668	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2Na"	45.978436
"1405440"	64.970204	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H+2Na"	46.985712
"1436462"	194.937646	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H+HCOOH"	47.012746
"221783"	175.94714	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+3H2O+2H"	56.04448
"1510940"	208.98969	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+IsoProp+H"	61.06479
"413909"	178.901088	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+Na+K"	61.952376
"769975"	252.863538	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+Na+K"	61.952376
"1666125"	104.938638	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Na+K"	61.952376
"253006"	359.865568	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+ACN+Na"	64.015768
"1225753"	211.940668	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+ACN+Na"	64.015768
"1714237"	211.964193	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+NH4+HCOOH"	64.039293
"1178652"	72.297518	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+3Na"	68.967654
"1650090"	216.919588	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Na+HCOOH"	68.994688
"157560"	372.76884	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+2K-H"	76.91904
"598825"	520.69374	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+2K-H"	76.91904
"1086623"	224.84394	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2K-H"	76.91904
"154378"	186.888058	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"2M+2K"	77.926316
"588468"	260.850508	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"3M+2K"	77.926316
"1078449"	112.925608	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2K"	77.926316
"1108378"	226.858492	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2K+H"	78.933592
"1345857"	226.946107	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+DMSO+H"	79.021207
"1017666"	230.985276	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2ACN+H"	83.060376
"1531416"	231.978908	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+IsoProp+Na+H"	84.054008
"1001147"	115.996276	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+2ACN+2H"	84.067652
"1591276"	232.893528	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+K+HCOOH"	84.968628
"1419122"	262.925038	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+H+CF3COOH"	115.000138
"1154878"	136.509551	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+3ACN+2H"	125.094202
"1711730"	279.951585	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+NH4+CF3COOH"	132.026685
"1649200"	284.90698	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+Na+CF3COOH"	136.98208
"1581205"	300.88092	"C07490"	"Trichloroethanol;222-Trichloroethanol"	"C2H3Cl3O"	"147.9249"	"M+K+CF3COOH"	152.95602
"807197"	201.079	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M"	0
"987294"	182.06061	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-H2O-H"	-19.01839
"72256"	133.045390666667	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M-3H"	-3.021828
"511815"	200.071724	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M-3H"	-3.021828
"887428"	66.0190573333333	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-3H"	-3.021828
"8191"	200.071724	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M-2H"	-2.014552
"448843"	300.611224	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M-2H"	-2.014552
"823363"	99.532224	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-2H"	-2.014552
"81534"	401.150724	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M-H"	-1.007276
"521456"	602.229724	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M-H"	-1.007276
"900722"	200.071724	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-H"	-1.007276
"57288"	418.177271	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M-2H+NH4"	16.019271
"494661"	619.256271	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M-2H+NH4"	16.019271
"871366"	217.098271	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-2H+NH4"	16.019271
"38175"	423.132666	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M-2H+Na"	20.974666
"476274"	624.211666	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M-2H+Na"	20.974666
"853347"	222.053666	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-2H+Na"	20.974666
"1623243"	222.053666	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Na-2H"	20.974666
"98318"	218.060063	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M-H+Cl"	33.962126
"539333"	318.599563	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M-H+Cl"	33.962126
"933941"	117.520563	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-H+Cl"	33.962126
"269581"	437.127402	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+Cl"	34.969402
"661762"	638.206402	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+Cl"	34.969402
"1278058"	236.048402	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Cl"	34.969402
"22805"	439.106606	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M-2H+K"	36.948606
"459084"	640.185606	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M-2H+K"	36.948606
"839073"	238.027606	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-2H+K"	36.948606
"1559278"	238.027606	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+K-2H"	36.948606
"946070"	246.077194	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-H+HCOOH"	44.998194
"366473"	447.156201	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+HCOOH-H"	44.998201
"346465"	461.171851	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+Hac-H"	59.013851
"1507955"	260.092851	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Hac-H"	59.013851
"967834"	268.059151	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-H+NaCOOH"	66.980151
"122208"	236.048402	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+2Cl"	69.938804
"564564"	336.587902	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+2Cl"	69.938804
"1027287"	135.508902	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2Cl"	69.938804
"1246866"	279.997885	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Br"	78.918885
"1310408"	282.053872	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Cl+HCOOH"	80.974872
"1330092"	304.035829	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Cl+NaCOOH"	102.956829
"920057"	314.064586	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M-H+CF3COOH"	112.985586
"1298950"	350.041264	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Cl+CF3COOH"	148.962264
"1372739"	166.066324	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H-2H2O"	-35.012676
"1392426"	184.0763	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H-H2O"	-17.0027
"296487"	403.165276	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+H"	1.007276
"689636"	604.244276	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+H"	1.007276
"1364166"	202.086276	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H"	1.007276
"131588"	202.086276	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+2H"	2.014552
"575523"	302.625776	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+2H"	2.014552
"1047601"	101.546776	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2H"	2.014552
"215501"	135.059942666667	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+3H"	3.021828
"651780"	202.086276	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+3H"	3.021828
"1172094"	68.0336093333333	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+3H"	3.021828
"437561"	420.191823	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+NH4"	18.033823
"796366"	621.270823	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+NH4"	18.033823
"1692698"	219.112823	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+NH4"	18.033823
"338788"	210.5995495	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+H+NH4"	19.041099
"732305"	311.1390495	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+H+NH4"	19.041099
"1486126"	110.0600495	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H+NH4"	19.041099
"395697"	425.147218	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+Na"	22.989218
"759243"	626.226218	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+Na"	22.989218
"1608433"	224.068218	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Na"	22.989218
"319565"	213.077247	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+H+Na"	23.996494
"711988"	313.616747	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+H+Na"	23.996494
"1464716"	112.537747	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H+Na"	23.996494
"1057962"	75.3609233333333	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2H+Na"	25.00377
"1262921"	234.112486	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+CH3OH+H"	33.033486
"383680"	441.121158	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+K"	38.963158
"744676"	642.200158	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+K"	38.963158
"1544546"	240.042158	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+K"	38.963158
"300996"	221.064217	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+H+K"	39.970434
"695240"	321.603717	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+H+K"	39.970434
"1447967"	120.524717	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H+K"	39.970434
"246414"	444.191826	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+ACN+H"	42.033826
"1222403"	243.112826	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+ACN+H"	42.033826
"1205191"	122.060051	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+ACN+2H"	43.041102
"198063"	447.12916	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+2Na-H"	44.97116
"639812"	648.20816	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+2Na-H"	44.97116
"1142223"	246.05016	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2Na-H"	44.97116
"182243"	224.068218	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+2Na"	45.978436
"623987"	324.607718	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+2Na"	45.978436
"1126403"	123.528718	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2Na"	45.978436
"1405552"	82.6882373333333	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H+2Na"	46.985712
"1440950"	248.091746	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H+HCOOH"	47.012746
"229550"	229.10124	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+3H2O+2H"	56.04448
"1514331"	262.14379	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+IsoProp+H"	61.06479
"417299"	232.055188	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+Na+K"	61.952376
"777201"	332.594688	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+Na+K"	61.952376
"1666971"	131.515688	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Na+K"	61.952376
"252031"	466.173768	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+ACN+Na"	64.015768
"1228386"	265.094768	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+ACN+Na"	64.015768
"1715081"	265.118293	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+NH4+HCOOH"	64.039293
"1183716"	90.0155513333333	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+3Na"	68.967654
"1655799"	270.073688	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Na+HCOOH"	68.994688
"165941"	479.07704	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+2K-H"	76.91904
"601125"	680.15604	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+2K-H"	76.91904
"1085640"	277.99804	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2K-H"	76.91904
"154492"	240.042158	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"2M+2K"	77.926316
"596239"	340.581658	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"3M+2K"	77.926316
"1079654"	139.502658	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2K"	77.926316
"1110680"	280.012592	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2K+H"	78.933592
"1349250"	280.100207	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+DMSO+H"	79.021207
"1017778"	284.139376	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2ACN+H"	83.060376
"1533717"	285.133008	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+IsoProp+Na+H"	84.054008
"1004908"	142.573326	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+2ACN+2H"	84.067652
"1602083"	286.047628	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+K+HCOOH"	84.968628
"1429080"	316.079138	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+H+CF3COOH"	115.000138
"1161550"	163.086601	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+3ACN+2H"	125.094202
"1705637"	333.105685	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+NH4+CF3COOH"	132.026685
"1638006"	338.06108	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+Na+CF3COOH"	136.98208
"1581315"	354.03502	"C07491"	"Carbaryl;Carbaril"	"C12H11NO2"	"201.079"	"M+K+CF3COOH"	152.95602
"808400"	252.0899	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M"	0
"987403"	233.07151	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-H2O-H"	-19.01839
"69086"	167.052657333333	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M-3H"	-3.021828
"503540"	251.082624	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M-3H"	-3.021828
"881705"	83.0226906666667	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-3H"	-3.021828
"3926"	251.082624	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M-2H"	-2.014552
"443849"	377.127574	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M-2H"	-2.014552
"819096"	125.037674	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-2H"	-2.014552
"82009"	503.172524	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M-H"	-1.007276
"521564"	755.262424	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M-H"	-1.007276
"903021"	251.082624	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-H"	-1.007276
"56305"	520.199071	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+NH4"	16.019271
"495864"	772.288971	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+NH4"	16.019271
"868195"	268.109171	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-2H+NH4"	16.019271
"36098"	525.154466	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+Na"	20.974666
"474197"	777.244366	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+Na"	20.974666
"851270"	273.064566	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-2H+Na"	20.974666
"1620071"	273.064566	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Na-2H"	20.974666
"99157"	269.070963	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M-H+Cl"	33.962126
"537256"	395.115913	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M-H+Cl"	33.962126
"929314"	143.026013	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-H+Cl"	33.962126
"268233"	539.149202	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+Cl"	34.969402
"660778"	791.239102	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+Cl"	34.969402
"1279261"	287.059302	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Cl"	34.969402
"25101"	541.128406	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+K"	36.948606
"460287"	793.218306	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+K"	36.948606
"840276"	289.038506	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-2H+K"	36.948606
"1559388"	289.038506	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+K-2H"	36.948606
"946180"	297.088094	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-H+HCOOH"	44.998194
"366583"	549.178001	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+HCOOH-H"	44.998201
"346697"	563.193651	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+Hac-H"	59.013851
"1508432"	311.103751	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Hac-H"	59.013851
"969037"	319.070051	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-H+NaCOOH"	66.980151
"121225"	287.059302	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+2Cl"	69.938804
"563945"	413.104252	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+2Cl"	69.938804
"1027397"	161.014352	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2Cl"	69.938804
"1248069"	331.008785	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Br"	78.918885
"1308331"	333.064772	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+HCOOH"	80.974872
"1324005"	355.046729	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+NaCOOH"	102.956829
"920167"	365.075486	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M-H+CF3COOH"	112.985586
"1297967"	401.052164	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+CF3COOH"	148.962264
"1372849"	217.077224	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H-2H2O"	-35.012676
"1392536"	235.0872	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H-H2O"	-17.0027
"294410"	505.187076	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+H"	1.007276
"689382"	757.276976	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+H"	1.007276
"1363912"	253.097176	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H"	1.007276
"133885"	253.097176	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+2H"	2.014552
"572349"	379.142126	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+2H"	2.014552
"1042244"	127.052226	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2H"	2.014552
"212331"	169.067209333333	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+3H"	3.021828
"650796"	253.097176	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+3H"	3.021828
"1171110"	85.0372426666667	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+3H"	3.021828
"436576"	522.213623	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+NH4"	18.033823
"794289"	774.303523	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+NH4"	18.033823
"1691715"	270.123723	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+NH4"	18.033823
"338898"	261.6104495	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+H+NH4"	19.041099
"726217"	387.6553995	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+H+NH4"	19.041099
"1484048"	135.5654995	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H+NH4"	19.041099
"396536"	527.169018	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+Na"	22.989218
"757530"	779.258918	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+Na"	22.989218
"1604654"	275.079118	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Na"	22.989218
"317122"	264.088147	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+H+Na"	23.996494
"712098"	390.133097	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+H+Na"	23.996494
"1464826"	138.043197	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H+Na"	23.996494
"1058073"	92.3645566666667	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2H+Na"	25.00377
"1261938"	285.123386	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+CH3OH+H"	33.033486
"384885"	543.142958	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+K"	38.963158
"742965"	795.232858	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+K"	38.963158
"1544291"	291.053058	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+K"	38.963158
"300013"	272.075117	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+H+K"	39.970434
"695350"	398.120067	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+H+K"	39.970434
"1448441"	146.030167	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H+K"	39.970434
"241051"	546.213626	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+ACN+H"	42.033826
"1222511"	294.123726	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+H"	42.033826
"1203114"	147.565501	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+2H"	43.041102
"199266"	549.15096	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+2Na-H"	44.97116
"639922"	801.24086	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+2Na-H"	44.97116
"1142332"	297.06106	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2Na-H"	44.97116
"183445"	275.079118	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+2Na"	45.978436
"624097"	401.124068	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+2Na"	45.978436
"1126513"	149.034168	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2Na"	45.978436
"1405662"	99.6918706666667	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H+2Na"	46.985712
"1441060"	299.102646	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H+HCOOH"	47.012746
"229660"	280.11214	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+3H2O+2H"	56.04448
"1514441"	313.15469	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+IsoProp+H"	61.06479
"413034"	283.066088	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+Na+K"	61.952376
"777311"	409.111038	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+Na+K"	61.952376
"1668174"	157.021138	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Na+K"	61.952376
"254692"	568.195568	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+ACN+Na"	64.015768
"1230682"	316.105668	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+Na"	64.015768
"1715191"	316.129193	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+NH4+HCOOH"	64.039293
"1180910"	107.019184666667	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+3Na"	68.967654
"1657002"	321.084588	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Na+HCOOH"	68.994688
"166051"	581.09884	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+2K-H"	76.91904
"601599"	833.18874	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+2K-H"	76.91904
"1086478"	329.00894	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2K-H"	76.91904
"155453"	291.053058	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"2M+2K"	77.926316
"596837"	417.098008	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"3M+2K"	77.926316
"1076483"	165.008108	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2K"	77.926316
"1113947"	331.023492	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2K+H"	78.933592
"1349605"	331.111107	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+DMSO+H"	79.021207
"1014608"	335.150276	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2ACN+H"	83.060376
"1533827"	336.143908	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+IsoProp+Na+H"	84.054008
"1004533"	168.078776	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+2ACN+2H"	84.067652
"1601340"	337.058528	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+K+HCOOH"	84.968628
"1427732"	367.090038	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+H+CF3COOH"	115.000138
"1158380"	188.592051	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+3ACN+2H"	125.094202
"1707934"	384.116585	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+NH4+CF3COOH"	132.026685
"1641397"	389.07198	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+Na+CF3COOH"	136.98208
"1581425"	405.04592	"C07492"	"Oxcarbazepine"	"C15H12N2O2"	"252.0899"	"M+K+CF3COOH"	152.95602
"807417"	254.1055	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M"	0
"986420"	235.08711	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-H2O-H"	-19.01839
"69196"	168.396390666667	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M-3H"	-3.021828
"503020"	253.098224	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M-3H"	-3.021828
"880312"	83.6945573333333	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-3H"	-3.021828
"1849"	253.098224	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M-2H"	-2.014552
"443595"	380.150974	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M-2H"	-2.014552
"818478"	126.045474	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-2H"	-2.014552
"79932"	507.203724	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M-H"	-1.007276
"520583"	761.309224	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M-H"	-1.007276
"902038"	253.098224	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-H"	-1.007276
"55322"	524.230271	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M-2H+NH4"	16.019271
"494881"	778.335771	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M-2H+NH4"	16.019271
"868305"	270.124771	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-2H+NH4"	16.019271
"35113"	529.185666	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M-2H+Na"	20.974666
"472970"	783.291166	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M-2H+Na"	20.974666
"849558"	275.080166	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-2H+Na"	20.974666
"1618724"	275.080166	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Na-2H"	20.974666
"97446"	271.086563	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M-H+Cl"	33.962126
"534693"	398.139313	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M-H+Cl"	33.962126
"927143"	144.033813	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-H+Cl"	33.962126
"267221"	543.180402	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+Cl"	34.969402
"665870"	797.285902	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+Cl"	34.969402
"1279366"	289.074902	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Cl"	34.969402
"16818"	545.159606	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M-2H+K"	36.948606
"457477"	799.265106	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M-2H+K"	36.948606
"832885"	291.054106	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-2H+K"	36.948606
"1555715"	291.054106	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+K-2H"	36.948606
"944098"	299.103694	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-H+HCOOH"	44.998194
"362681"	553.209201	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+HCOOH-H"	44.998201
"351669"	567.224851	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+Hac-H"	59.013851
"1501598"	313.119351	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Hac-H"	59.013851
"973276"	321.085651	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-H+NaCOOH"	66.980151
"125687"	289.074902	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+2Cl"	69.938804
"565116"	416.127652	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+2Cl"	69.938804
"1030788"	162.022152	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2Cl"	69.938804
"1250367"	333.024385	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Br"	78.918885
"1311721"	335.080372	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Cl+HCOOH"	80.974872
"1325938"	357.062329	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Cl+NaCOOH"	102.956829
"920277"	367.091086	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M-H+CF3COOH"	112.985586
"1299170"	403.067764	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Cl+CF3COOH"	148.962264
"1372959"	219.092824	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H-2H2O"	-35.012676
"1394470"	237.1028	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H-H2O"	-17.0027
"295248"	509.218276	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+H"	1.007276
"685846"	763.323776	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+H"	1.007276
"1362927"	255.112776	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H"	1.007276
"136910"	255.112776	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+2H"	2.014552
"576833"	382.165526	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+2H"	2.014552
"1043446"	128.060026	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2H"	2.014552
"213533"	170.410942666667	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+3H"	3.021828
"653093"	255.112776	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+3H"	3.021828
"1171220"	85.7091093333333	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+3H"	3.021828
"433405"	526.244823	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+NH4"	18.033823
"793305"	780.350323	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+NH4"	18.033823
"1691096"	272.139323	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+NH4"	18.033823
"339008"	263.6260495	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+H+NH4"	19.041099
"732523"	390.6787995	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+H+NH4"	19.041099
"1483064"	136.5732995	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H+NH4"	19.041099
"396644"	531.200218	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+Na"	22.989218
"756544"	785.305718	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+Na"	22.989218
"1604276"	277.094718	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Na"	22.989218
"316868"	266.103747	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+H+Na"	23.996494
"707950"	393.156497	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+H+Na"	23.996494
"1464937"	139.050997	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H+Na"	23.996494
"1057090"	93.0364233333333	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2H+Na"	25.00377
"1259132"	287.138986	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+CH3OH+H"	33.033486
"382809"	547.174158	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+K"	38.963158
"742713"	801.279658	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+K"	38.963158
"1545131"	293.068658	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+K"	38.963158
"305226"	274.090717	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+H+K"	39.970434
"697647"	401.143467	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+H+K"	39.970434
"1448187"	147.037967	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H+K"	39.970434
"238975"	550.244826	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+ACN+H"	42.033826
"1222621"	296.139326	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+ACN+H"	42.033826
"1202131"	148.573301	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+ACN+2H"	43.041102
"201563"	553.18216	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+2Na-H"	44.97116
"641854"	807.28766	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+2Na-H"	44.97116
"1138069"	299.07666	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2Na-H"	44.97116
"181368"	277.094718	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+2Na"	45.978436
"624207"	404.147468	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+2Na"	45.978436
"1123342"	150.041968	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2Na"	45.978436
"1405772"	100.363737333333	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H+2Na"	46.985712
"1437888"	301.118246	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H+HCOOH"	47.012746
"228676"	282.12774	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+3H2O+2H"	56.04448
"1514551"	315.17029	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+IsoProp+H"	61.06479
"413144"	285.081688	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+Na+K"	61.952376
"778514"	412.134438	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+Na+K"	61.952376
"1670105"	158.028938	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Na+K"	61.952376
"257351"	572.226768	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+ACN+Na"	64.015768
"1235164"	318.121268	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+ACN+Na"	64.015768
"1716758"	318.144793	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+NH4+HCOOH"	64.039293
"1183936"	107.691051333333	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+3Na"	68.967654
"1654925"	323.100188	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Na+HCOOH"	68.994688
"165067"	585.13004	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+2K-H"	76.91904
"604624"	839.23554	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+2K-H"	76.91904
"1088410"	331.02454	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2K-H"	76.91904
"156292"	293.068658	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"2M+2K"	77.926316
"597018"	420.121408	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"3M+2K"	77.926316
"1078780"	166.015908	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2K"	77.926316
"1115237"	333.039092	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2K+H"	78.933592
"1349715"	333.126707	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+DMSO+H"	79.021207
"1014718"	337.165876	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2ACN+H"	83.060376
"1533937"	338.159508	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+IsoProp+Na+H"	84.054008
"1003666"	169.086576	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+2ACN+2H"	84.067652
"1598170"	339.074128	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+K+HCOOH"	84.968628
"1427109"	369.105638	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+H+CF3COOH"	115.000138
"1158490"	189.599851	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+3ACN+2H"	125.094202
"1708044"	386.132185	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+NH4+CF3COOH"	132.026685
"1641507"	391.08758	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+Na+CF3COOH"	136.98208
"1581535"	407.06152	"C07493"	"10-Hydroxycarbazepine;10-Hydroxycarbamazepine;GP 47779"	"C15H14N2O2"	"254.1055"	"M+K+CF3COOH"	152.95602
"810810"	182.0872	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M"	0
"982155"	163.06881	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-H2O-H"	-19.01839
"64931"	120.384190666667	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M-3H"	-3.021828
"507770"	181.079924	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M-3H"	-3.021828
"879977"	59.6884573333333	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-3H"	-3.021828
"2324"	181.079924	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M-2H"	-2.014552
"442611"	272.123524	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M-2H"	-2.014552
"819686"	90.036324	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-2H"	-2.014552
"81501"	363.167124	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M-H"	-1.007276
"523254"	545.254324	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M-H"	-1.007276
"903242"	181.079924	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-H"	-1.007276
"53244"	380.193671	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M-2H+NH4"	16.019271
"496085"	562.280871	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M-2H+NH4"	16.019271
"867322"	198.106471	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-2H+NH4"	16.019271
"36319"	385.149066	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M-2H+Na"	20.974666
"472959"	567.236266	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M-2H+Na"	20.974666
"849100"	203.061866	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-2H+Na"	20.974666
"1623214"	203.061866	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Na-2H"	20.974666
"95121"	199.068263	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M-H+Cl"	33.962126
"536379"	290.111863	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M-H+Cl"	33.962126
"928437"	108.024663	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-H+Cl"	33.962126
"270274"	399.143802	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+Cl"	34.969402
"664886"	581.231002	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+Cl"	34.969402
"1275463"	217.056602	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Cl"	34.969402
"19112"	401.123006	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M-2H+K"	36.948606
"458672"	583.210206	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M-2H+K"	36.948606
"835016"	219.035806	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-2H+K"	36.948606
"1556155"	219.035806	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+K-2H"	36.948606
"943847"	227.085394	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-H+HCOOH"	44.998194
"365710"	409.172601	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+HCOOH-H"	44.998201
"357251"	423.188251	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+Hac-H"	59.013851
"1503897"	241.101051	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Hac-H"	59.013851
"973882"	249.067351	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-H+NaCOOH"	66.980151
"125676"	217.056602	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+2Cl"	69.938804
"561006"	308.100202	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+2Cl"	69.938804
"1030898"	126.013002	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2Cl"	69.938804
"1246102"	261.006085	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Br"	78.918885
"1314018"	263.062072	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Cl+HCOOH"	80.974872
"1323859"	285.044029	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Cl+NaCOOH"	102.956829
"916011"	295.072786	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M-H+CF3COOH"	112.985586
"1296000"	331.049464	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Cl+CF3COOH"	148.962264
"1380728"	147.074524	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H-2H2O"	-35.012676
"1394945"	165.0845	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H-H2O"	-17.0027
"295358"	365.181676	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+H"	1.007276
"689602"	547.268876	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+H"	1.007276
"1364860"	183.094476	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H"	1.007276
"139572"	183.094476	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+2H"	2.014552
"578765"	274.138076	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+2H"	2.014552
"1042462"	92.050876	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2H"	2.014552
"208175"	122.398742666667	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+3H"	3.021828
"649923"	183.094476	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+3H"	3.021828
"1170238"	61.7030093333333	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+3H"	3.021828
"433514"	382.208223	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+NH4"	18.033823
"795603"	564.295423	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+NH4"	18.033823
"1688653"	200.121023	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+NH4"	18.033823
"336932"	191.6077495	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+H+NH4"	19.041099
"732633"	282.6513495	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+H+NH4"	19.041099
"1483177"	100.5641495	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H+NH4"	19.041099
"393595"	387.163618	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+Na"	22.989218
"756170"	569.250818	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+Na"	22.989218
"1609859"	205.076418	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Na"	22.989218
"317710"	194.085447	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+H+Na"	23.996494
"713415"	285.129047	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+H+Na"	23.996494
"1466141"	103.041847	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H+Na"	23.996494
"1059387"	69.0303233333333	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2H+Na"	25.00377
"1262159"	215.120686	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+CH3OH+H"	33.033486
"380732"	403.137558	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+K"	38.963158
"740634"	585.224758	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+K"	38.963158
"1542692"	221.050358	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+K"	38.963158
"301326"	202.072417	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+H+K"	39.970434
"695571"	293.116017	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+H+K"	39.970434
"1446107"	111.028817	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H+K"	39.970434
"245649"	406.208226	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+ACN+H"	42.033826
"1215077"	224.121026	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+ACN+H"	42.033826
"1201148"	112.564151	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+ACN+2H"	43.041102
"198393"	409.14556	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+2Na-H"	44.97116
"637953"	591.23276	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+2Na-H"	44.97116
"1140373"	227.05836	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2Na-H"	44.97116
"184759"	205.076418	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+2Na"	45.978436
"624321"	296.120018	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+2Na"	45.978436
"1128920"	114.032818	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2Na"	45.978436
"1410984"	76.3576373333333	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H+2Na"	46.985712
"1435080"	229.099946	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H+HCOOH"	47.012746
"225505"	210.10944	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+3H2O+2H"	56.04448
"1511381"	243.15199	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+IsoProp+H"	61.06479
"415442"	213.063388	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+Na+K"	61.952376
"774250"	304.106988	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+Na+K"	61.952376
"1670578"	122.019788	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Na+K"	61.952376
"258192"	428.190168	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+ACN+Na"	64.015768
"1234180"	246.102968	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+ACN+Na"	64.015768
"1720880"	246.126493	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+NH4+HCOOH"	64.039293
"1185504"	83.6849513333333	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+3Na"	68.967654
"1657219"	251.081888	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Na+HCOOH"	68.994688
"165175"	441.09344	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+2K-H"	76.91904
"610208"	623.18064	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+2K-H"	76.91904
"1099584"	259.00624	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2K-H"	76.91904
"156763"	221.050358	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"2M+2K"	77.926316
"591097"	312.093958	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"3M+2K"	77.926316
"1082172"	130.006758	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2K"	77.926316
"1115429"	261.020792	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2K+H"	78.933592
"1350920"	261.108407	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+DMSO+H"	79.021207
"1013734"	265.147576	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2ACN+H"	83.060376
"1537328"	266.141208	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+IsoProp+Na+H"	84.054008
"1003776"	133.077426	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+2ACN+2H"	84.067652
"1602048"	267.055828	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+K+HCOOH"	84.968628
"1427219"	297.087338	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+H+CF3COOH"	115.000138
"1152041"	153.590701	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+3ACN+2H"	125.094202
"1711071"	314.113885	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+NH4+CF3COOH"	132.026685
"1640525"	319.06928	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+Na+CF3COOH"	136.98208
"1578365"	335.04322	"C07494"	"Soman"	"C7H16FO2P"	"182.0872"	"M+K+CF3COOH"	152.95602
"808732"	270.1004	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M"	0
"975704"	251.08201	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-H2O-H"	-19.01839
"63459"	179.059657333333	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M-3H"	-3.021828
"503093"	269.093124	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M-3H"	-3.021828
"880327"	89.0261906666667	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-3H"	-3.021828
"645"	269.093124	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M-2H"	-2.014552
"441378"	404.143324	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M-2H"	-2.014552
"819059"	134.042924	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-2H"	-2.014552
"82709"	539.193524	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M-H"	-1.007276
"528833"	809.293924	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M-H"	-1.007276
"903355"	269.093124	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-H"	-1.007276
"52262"	556.220071	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M-2H+NH4"	16.019271
"492913"	826.320471	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M-2H+NH4"	16.019271
"870715"	286.119671	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-2H+NH4"	16.019271
"34604"	561.175466	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M-2H+Na"	20.974666
"472706"	831.275866	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M-2H+Na"	20.974666
"852700"	291.075066	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-2H+Na"	20.974666
"1621502"	291.075066	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Na-2H"	20.974666
"94542"	287.081463	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M-H+Cl"	33.962126
"534625"	422.131663	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M-H+Cl"	33.962126
"931832"	152.031263	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-H+Cl"	33.962126
"269656"	575.170202	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+Cl"	34.969402
"660987"	845.270602	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+Cl"	34.969402
"1275573"	305.069802	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Cl"	34.969402
"17522"	577.149406	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M-2H+K"	36.948606
"455993"	847.249806	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M-2H+K"	36.948606
"833347"	307.049006	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-2H+K"	36.948606
"1559719"	307.049006	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+K-2H"	36.948606
"943389"	315.098594	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-H+HCOOH"	44.998194
"361765"	585.199001	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+HCOOH-H"	44.998201
"357361"	599.214651	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+Hac-H"	59.013851
"1507180"	329.114251	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Hac-H"	59.013851
"973377"	337.080551	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-H+NaCOOH"	66.980151
"125444"	305.069802	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+2Cl"	69.938804
"557835"	440.120002	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+2Cl"	69.938804
"1027728"	170.019602	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2Cl"	69.938804
"1245119"	349.019285	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Br"	78.918885
"1310847"	351.075272	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Cl+HCOOH"	80.974872
"1328344"	373.057229	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Cl+NaCOOH"	102.956829
"917215"	383.085986	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M-H+CF3COOH"	112.985586
"1299759"	419.062664	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Cl+CF3COOH"	148.962264
"1377922"	235.087724	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H-2H2O"	-35.012676
"1395785"	253.0977	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H-H2O"	-17.0027
"294375"	541.208076	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+H"	1.007276
"688260"	811.308476	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+H"	1.007276
"1364606"	271.107676	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H"	1.007276
"140045"	271.107676	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+2H"	2.014552
"573409"	406.157876	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+2H"	2.014552
"1043666"	136.057476	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2H"	2.014552
"209382"	181.074209333333	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+3H"	3.021828
"652222"	271.107676	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+3H"	3.021828
"1169255"	91.0407426666667	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+3H"	3.021828
"426334"	558.234623	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+NH4"	18.033823
"793526"	828.335023	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+NH4"	18.033823
"1685485"	288.134223	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+NH4"	18.033823
"332670"	279.6209495	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+H+NH4"	19.041099
"726185"	414.6711495	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+H+NH4"	19.041099
"1481102"	144.5707495	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H+NH4"	19.041099
"392946"	563.190018	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+Na"	22.989218
"757497"	833.290418	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+Na"	22.989218
"1604503"	293.089618	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Na"	22.989218
"324386"	282.098647	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+H+Na"	23.996494
"712432"	417.148847	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+H+Na"	23.996494
"1465159"	147.048447	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H+Na"	23.996494
"1057310"	98.3680566666666	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2H+Na"	25.00377
"1260080"	303.133886	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+CH3OH+H"	33.033486
"381937"	579.163958	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+K"	38.963158
"744032"	849.264358	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+K"	38.963158
"1543895"	309.063558	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+K"	38.963158
"302166"	290.085617	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+H+K"	39.970434
"696772"	425.135817	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+H+K"	39.970434
"1450595"	155.035417	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H+K"	39.970434
"247949"	582.234626	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+ACN+H"	42.033826
"1221750"	312.134226	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+ACN+H"	42.033826
"1199071"	156.570751	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+ACN+2H"	43.041102
"193036"	585.17196	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+2Na-H"	44.97116
"638068"	855.27236	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+2Na-H"	44.97116
"1139390"	315.07156	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2Na-H"	44.97116
"182685"	293.089618	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+2Na"	45.978436
"625526"	428.139818	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+2Na"	45.978436
"1130123"	158.039418	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2Na"	45.978436
"1411458"	105.695370666667	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H+2Na"	46.985712
"1438106"	317.113146	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H+HCOOH"	47.012746
"228896"	298.12264	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+3H2O+2H"	56.04448
"1514771"	331.16519	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+IsoProp+H"	61.06479
"420658"	301.076588	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+Na+K"	61.952376
"775818"	436.126788	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+Na+K"	61.952376
"1668502"	166.026388	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Na+K"	61.952376
"258302"	604.216568	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+ACN+Na"	64.015768
"1232832"	334.116168	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+ACN+Na"	64.015768
"1718072"	334.139693	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+NH4+HCOOH"	64.039293
"1185252"	113.022684666667	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+3Na"	68.967654
"1654777"	339.095088	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Na+HCOOH"	68.994688
"167477"	617.11984	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+2K-H"	76.91904
"610323"	887.22024	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+2K-H"	76.91904
"1095925"	347.01944	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2K-H"	76.91904
"154930"	309.063558	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"2M+2K"	77.926316
"596936"	444.113758	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"3M+2K"	77.926316
"1082042"	174.013358	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2K"	77.926316
"1113673"	349.033992	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2K+H"	78.933592
"1345315"	349.121607	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+DMSO+H"	79.021207
"1021240"	353.160776	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2ACN+H"	83.060376
"1538901"	354.154408	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+IsoProp+Na+H"	84.054008
"1003886"	177.084026	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+2ACN+2H"	84.067652
"1598388"	355.069028	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+K+HCOOH"	84.968628
"1425144"	385.100538	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+H+CF3COOH"	115.000138
"1158715"	197.597301	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+3ACN+2H"	125.094202
"1706078"	402.127085	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+NH4+CF3COOH"	132.026685
"1646104"	407.08248	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+Na+CF3COOH"	136.98208
"1578475"	423.05642	"C07495"	"Dihydroxycarbazepine;1011-Dihydro-1011-dihydroxy-5H-dibenzazepine-5-carboxamide;1011-Dihydroxycarbamazepine"	"C15H14N2O3"	"270.1004"	"M+K+CF3COOH"	152.95602
"808840"	252.0899	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M"	0
"978002"	233.07151	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-H2O-H"	-19.01839
"65151"	167.052657333333	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M-3H"	-3.021828
"504343"	251.082624	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M-3H"	-3.021828
"882143"	83.0226906666667	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-3H"	-3.021828
"2178"	251.082624	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M-2H"	-2.014552
"441134"	377.127574	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M-2H"	-2.014552
"819179"	125.037674	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-2H"	-2.014552
"82089"	503.172524	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M-H"	-1.007276
"528943"	755.262424	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M-H"	-1.007276
"903465"	251.082624	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-H"	-1.007276
"53465"	520.199071	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M-2H+NH4"	16.019271
"493023"	772.288971	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M-2H+NH4"	16.019271
"866083"	268.109171	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-2H+NH4"	16.019271
"33985"	525.154466	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M-2H+Na"	20.974666
"473180"	777.244366	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M-2H+Na"	20.974666
"852809"	273.064566	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-2H+Na"	20.974666
"1622340"	273.064566	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Na-2H"	20.974666
"96681"	269.070963	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M-H+Cl"	33.962126
"537699"	395.115913	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M-H+Cl"	33.962126
"933035"	143.026013	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-H+Cl"	33.962126
"271592"	539.149202	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+Cl"	34.969402
"661100"	791.239102	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+Cl"	34.969402
"1274230"	287.059302	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Cl"	34.969402
"17392"	541.128406	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M-2H+K"	36.948606
"456834"	793.218306	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M-2H+K"	36.948606
"834151"	289.038506	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-2H+K"	36.948606
"1558736"	289.038506	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+K-2H"	36.948606
"945527"	297.088094	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-H+HCOOH"	44.998194
"364835"	549.178001	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+HCOOH-H"	44.998201
"360145"	563.193651	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+Hac-H"	59.013851
"1508141"	311.103751	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Hac-H"	59.013851
"971667"	319.070051	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-H+NaCOOH"	66.980151
"122764"	287.059302	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+2Cl"	69.938804
"561226"	413.104252	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+2Cl"	69.938804
"1027838"	161.014352	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2Cl"	69.938804
"1247415"	331.008785	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Br"	78.918885
"1310956"	333.064772	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Cl+HCOOH"	80.974872
"1322986"	355.046729	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Cl+NaCOOH"	102.956829
"912951"	365.075486	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M-H+CF3COOH"	112.985586
"1291844"	401.052164	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Cl+CF3COOH"	148.962264
"1378758"	217.077224	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H-2H2O"	-35.012676
"1395161"	235.0872	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H-H2O"	-17.0027
"295943"	505.187076	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+H"	1.007276
"690436"	757.276976	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+H"	1.007276
"1365446"	253.097176	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H"	1.007276
"137604"	253.097176	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+2H"	2.014552
"576070"	379.142126	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+2H"	2.014552
"1043777"	127.052226	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2H"	2.014552
"212772"	169.067209333333	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+3H"	3.021828
"650146"	253.097176	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+3H"	3.021828
"1169365"	85.0372426666667	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+3H"	3.021828
"431548"	522.213623	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+NH4"	18.033823
"795823"	774.303523	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+NH4"	18.033823
"1683407"	270.123723	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+NH4"	18.033823
"331321"	261.6104495	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+H+NH4"	19.041099
"726295"	387.6553995	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+H+NH4"	19.041099
"1481212"	135.5654995	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H+NH4"	19.041099
"395517"	527.169018	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+Na"	22.989218
"757607"	779.258918	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+Na"	22.989218
"1607893"	275.079118	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Na"	22.989218
"327412"	264.088147	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+H+Na"	23.996494
"720076"	390.133097	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+H+Na"	23.996494
"1469643"	138.043197	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H+Na"	23.996494
"1058515"	92.3645566666667	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2H+Na"	25.00377
"1261286"	285.123386	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+CH3OH+H"	33.033486
"378523"	543.142958	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+K"	38.963158
"739882"	795.232858	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+K"	38.963158
"1542910"	291.053058	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+K"	38.963158
"299721"	272.075117	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+H+K"	39.970434
"694694"	398.120067	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+H+K"	39.970434
"1450705"	146.030167	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H+K"	39.970434
"246966"	546.213626	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+ACN+H"	42.033826
"1221860"	294.123726	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+ACN+H"	42.033826
"1204649"	147.565501	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+ACN+2H"	43.041102
"196426"	549.15096	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+2Na-H"	44.97116
"639270"	801.24086	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+2Na-H"	44.97116
"1141687"	297.06106	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2Na-H"	44.97116
"182794"	275.079118	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+2Na"	45.978436
"622355"	401.124068	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+2Na"	45.978436
"1127684"	149.034168	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2Na"	45.978436
"1408656"	99.6918706666667	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H+2Na"	46.985712
"1438217"	299.102646	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H+HCOOH"	47.012746
"225726"	280.11214	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+3H2O+2H"	56.04448
"1517798"	313.15469	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+IsoProp+H"	61.06479
"420767"	283.066088	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+Na+K"	61.952376
"772648"	409.111038	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+Na+K"	61.952376
"1668248"	157.021138	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Na+K"	61.952376
"258412"	568.195568	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+ACN+Na"	64.015768
"1230391"	316.105668	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+ACN+Na"	64.015768
"1720007"	316.129193	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+NH4+HCOOH"	64.039293
"1185362"	107.019184666667	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+3Na"	68.967654
"1654523"	321.084588	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Na+HCOOH"	68.994688
"164306"	581.09884	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+2K-H"	76.91904
"612503"	833.18874	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+2K-H"	76.91904
"1099441"	329.00894	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2K-H"	76.91904
"156705"	291.053058	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"2M+2K"	77.926316
"596434"	417.098008	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"3M+2K"	77.926316
"1083854"	165.008108	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2K"	77.926316
"1114148"	331.023492	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2K+H"	78.933592
"1343238"	331.111107	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+DMSO+H"	79.021207
"1020407"	335.150276	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2ACN+H"	83.060376
"1538524"	336.143908	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+IsoProp+Na+H"	84.054008
"1002903"	168.078776	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+2ACN+2H"	84.067652
"1596312"	337.058528	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+K+HCOOH"	84.968628
"1421974"	367.090038	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+H+CF3COOH"	115.000138
"1158825"	188.592051	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+3ACN+2H"	125.094202
"1702908"	384.116585	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+NH4+CF3COOH"	132.026685
"1644027"	389.07198	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+Na+CF3COOH"	136.98208
"1578585"	405.04592	"C07496"	"Carbamazepine-1011-epoxide;Carbamazepine epoxide"	"C15H12N2O2"	"252.0899"	"M+K+CF3COOH"	152.95602
"811137"	330.0361	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M"	0
"982484"	311.01771	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-H2O-H"	-19.01839
"66354"	219.016790666667	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M-3H"	-3.021828
"505913"	329.028824	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M-3H"	-3.021828
"883714"	109.004757333333	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-3H"	-3.021828
"3381"	329.028824	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M-2H"	-2.014552
"446226"	494.046874	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M-2H"	-2.014552
"821841"	164.010774	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-2H"	-2.014552
"82928"	659.064924	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M-H"	-1.007276
"532333"	989.101024	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M-H"	-1.007276
"904668"	329.028824	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-H"	-1.007276
"55762"	676.091471	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M-2H+NH4"	16.019271
"493133"	1006.127571	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M-2H+NH4"	16.019271
"867651"	346.055371	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-2H+NH4"	16.019271
"33731"	681.046866	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M-2H+Na"	20.974666
"474748"	1011.082966	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M-2H+Na"	20.974666
"857293"	351.010766	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-2H+Na"	20.974666
"1623545"	351.010766	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Na-2H"	20.974666
"100072"	347.017163	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M-H+Cl"	33.962126
"540725"	512.035213	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M-H+Cl"	33.962126
"935332"	181.999113	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-H+Cl"	33.962126
"276075"	695.041602	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+Cl"	34.969402
"666313"	1025.077702	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+Cl"	34.969402
"1276526"	365.005502	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Cl"	34.969402
"17991"	697.020806	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M-2H+K"	36.948606
"457912"	1027.056906	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M-2H+K"	36.948606
"834261"	366.984706	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-2H+K"	36.948606
"1562126"	366.984706	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+K-2H"	36.948606
"951104"	375.034294	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-H+HCOOH"	44.998194
"369319"	705.070401	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+HCOOH-H"	44.998201
"359404"	719.086051	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+Hac-H"	59.013851
"1507882"	389.049951	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Hac-H"	59.013851
"971778"	397.016251	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-H+NaCOOH"	66.980151
"122506"	365.005502	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+2Cl"	69.938804
"562798"	530.023552	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+2Cl"	69.938804
"1031228"	199.987452	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2Cl"	69.938804
"1251899"	408.954985	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Br"	78.918885
"1317995"	411.010972	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Cl+HCOOH"	80.974872
"1324190"	432.992929	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Cl+NaCOOH"	102.956829
"915611"	443.021686	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M-H+CF3COOH"	112.985586
"1295235"	478.998364	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Cl+CF3COOH"	148.962264
"1378504"	295.023424	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H-2H2O"	-35.012676
"1388710"	313.0334	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H-H2O"	-17.0027
"293867"	661.079476	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+H"	1.007276
"689572"	991.115576	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+H"	1.007276
"1360817"	331.043376	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H"	1.007276
"138445"	331.043376	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+2H"	2.014552
"574722"	496.061426	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+2H"	2.014552
"1046073"	166.025326	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2H"	2.014552
"212517"	221.031342666667	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+3H"	3.021828
"650256"	331.043376	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+3H"	3.021828
"1169472"	111.019309333333	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+3H"	3.021828
"431658"	678.106023	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+NH4"	18.033823
"795933"	1008.142123	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+NH4"	18.033823
"1684612"	348.069923	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+NH4"	18.033823
"332890"	339.5566495	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+H+NH4"	19.041099
"731873"	504.5746995	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+H+NH4"	19.041099
"1484602"	174.5385995	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H+NH4"	19.041099
"397814"	683.061418	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+Na"	22.989218
"759904"	1013.097518	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+Na"	22.989218
"1611284"	353.025318	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Na"	22.989218
"326428"	342.034347	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+H+Na"	23.996494
"719214"	507.052397	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+H+Na"	23.996494
"1471942"	177.016297	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H+Na"	23.996494
"1060813"	118.346623333333	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2H+Na"	25.00377
"1262489"	363.069586	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+CH3OH+H"	33.033486
"378147"	699.035358	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+K"	38.963158
"740236"	1029.071458	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+K"	38.963158
"1541929"	368.999258	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+K"	38.963158
"300924"	350.021317	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+H+K"	39.970434
"695170"	515.039367	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+H+K"	39.970434
"1455189"	185.003267	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H+K"	39.970434
"248169"	702.106026	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+ACN+H"	42.033826
"1221970"	372.069926	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+ACN+H"	42.033826
"1201479"	186.538601	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+ACN+2H"	43.041102
"198723"	705.04336	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+2Na-H"	44.97116
"639380"	1035.07946	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+2Na-H"	44.97116
"1141797"	375.00726	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2Na-H"	44.97116
"182904"	353.025318	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+2Na"	45.978436
"625382"	518.043368	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+2Na"	45.978436
"1128523"	188.007268	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2Na"	45.978436
"1411681"	125.673937333333	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H+2Na"	46.985712
"1440150"	377.048846	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H+HCOOH"	47.012746
"229116"	358.05834	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+3H2O+2H"	56.04448
"1517908"	391.10089	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+IsoProp+H"	61.06479
"417961"	361.012288	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+Na+K"	61.952376
"777498"	526.030338	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+Na+K"	61.952376
"1669817"	195.994238	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Na+K"	61.952376
"256699"	724.087968	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+ACN+Na"	64.015768
"1233053"	394.051868	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+ACN+Na"	64.015768
"1716835"	394.075393	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+NH4+HCOOH"	64.039293
"1180732"	133.001251333333	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+3Na"	68.967654
"1650497"	399.030788	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Na+HCOOH"	68.994688
"162228"	736.99124	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+2K-H"	76.91904
"611276"	1067.02734	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+2K-H"	76.91904
"1098821"	406.95514	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2K-H"	76.91904
"156492"	368.999258	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"2M+2K"	77.926316
"595812"	534.017308	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"3M+2K"	77.926316
"1083803"	203.981208	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2K"	77.926316
"1114991"	408.969692	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2K+H"	78.933592
"1345535"	409.057307	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+DMSO+H"	79.021207
"1020268"	413.096476	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2ACN+H"	83.060376
"1538999"	414.090108	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+IsoProp+Na+H"	84.054008
"998639"	207.051876	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+2ACN+2H"	84.067652
"1594236"	415.004728	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+K+HCOOH"	84.968628
"1427188"	445.036238	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+H+CF3COOH"	115.000138
"1161854"	227.565151	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+3ACN+2H"	125.094202
"1703018"	462.062785	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+NH4+CF3COOH"	132.026685
"1644137"	467.01818	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+Na+CF3COOH"	136.98208
"1578695"	482.99212	"C07497"	"Malathion"	"C10H19O6PS2"	"330.0361"	"M+K+CF3COOH"	152.95602
"807967"	314.0589	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M"	0
"978220"	295.04051	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-H2O-H"	-19.01839
"63545"	208.365324	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M-3H"	-3.021828
"504199"	313.051624	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M-3H"	-3.021828
"881998"	103.679024	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-3H"	-3.021828
"575"	313.051624	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M-2H"	-2.014552
"443054"	470.081074	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M-2H"	-2.014552
"821950"	156.022174	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-2H"	-2.014552
"81215"	627.110524	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M-H"	-1.007276
"530257"	941.169424	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M-H"	-1.007276
"904778"	313.051624	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-H"	-1.007276
"53685"	644.137071	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M-2H+NH4"	16.019271
"493243"	958.195971	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M-2H+NH4"	16.019271
"866303"	330.078171	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-2H+NH4"	16.019271
"34205"	649.092466	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M-2H+Na"	20.974666
"473399"	963.151366	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M-2H+Na"	20.974666
"850839"	335.033566	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-2H+Na"	20.974666
"1618951"	335.033566	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Na-2H"	20.974666
"95439"	331.039963	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M-H+Cl"	33.962126
"535731"	488.069413	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M-H+Cl"	33.962126
"937629"	174.010513	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-H+Cl"	33.962126
"273998"	663.087202	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+Cl"	34.969402
"662047"	977.146102	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+Cl"	34.969402
"1274449"	349.028302	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Cl"	34.969402
"17492"	665.066406	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M-2H+K"	36.948606
"456928"	979.125306	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M-2H+K"	36.948606
"833634"	351.007506	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-2H+K"	36.948606
"1555728"	351.007506	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+K-2H"	36.948606
"955958"	359.057094	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-H+HCOOH"	44.998194
"365055"	673.116001	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+HCOOH-H"	44.998201
"360973"	687.131651	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+Hac-H"	59.013851
"1508314"	373.072751	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Hac-H"	59.013851
"972253"	381.039051	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-H+NaCOOH"	66.980151
"123344"	349.028302	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+2Cl"	69.938804
"563272"	506.057752	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+2Cl"	69.938804
"1034618"	191.998852	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2Cl"	69.938804
"1249822"	392.977785	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Br"	78.918885
"1318105"	395.033772	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Cl+HCOOH"	80.974872
"1328674"	417.015729	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Cl+NaCOOH"	102.956829
"918639"	427.044486	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M-H+CF3COOH"	112.985586
"1295347"	463.021164	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Cl+CF3COOH"	148.962264
"1378614"	279.046224	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H-2H2O"	-35.012676
"1386633"	297.0562	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H-H2O"	-17.0027
"292882"	629.125076	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+H"	1.007276
"689807"	943.183976	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+H"	1.007276
"1362750"	315.066176	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H"	1.007276
"139283"	315.066176	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+2H"	2.014552
"577750"	472.095626	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+2H"	2.014552
"1046913"	158.036726	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2H"	2.014552
"212991"	210.379876	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+3H"	3.021828
"653646"	315.066176	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+3H"	3.021828
"1167395"	105.693576	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+3H"	3.021828
"431768"	646.151623	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+NH4"	18.033823
"798595"	960.210523	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+NH4"	18.033823
"1684722"	332.092723	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+NH4"	18.033823
"336280"	323.5794495	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+H+NH4"	19.041099
"731983"	480.6088995	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+H+NH4"	19.041099
"1484712"	166.5499995	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H+NH4"	19.041099
"397924"	651.107018	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+Na"	22.989218
"760014"	965.165918	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+Na"	22.989218
"1611394"	337.048118	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Na"	22.989218
"325809"	326.057147	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+H+Na"	23.996494
"719324"	483.086597	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+H+Na"	23.996494
"1468771"	169.027697	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H+Na"	23.996494
"1059827"	113.02089	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2H+Na"	25.00377
"1261507"	347.092386	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+CH3OH+H"	33.033486
"381537"	667.080958	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+K"	38.963158
"739252"	981.139858	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+K"	38.963158
"1542039"	353.022058	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+K"	38.963158
"299577"	334.044117	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+H+K"	39.970434
"692727"	491.073567	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+H+K"	39.970434
"1455299"	177.014667	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H+K"	39.970434
"248279"	670.151626	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+ACN+H"	42.033826
"1222080"	356.092726	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+ACN+H"	42.033826
"1198309"	178.550001	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+ACN+2H"	43.041102
"190814"	673.08896	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+2Na-H"	44.97116
"639490"	987.14786	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+2Na-H"	44.97116
"1140813"	359.03006	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2Na-H"	44.97116
"183015"	337.048118	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+2Na"	45.978436
"625128"	494.077568	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+2Na"	45.978436
"1127539"	180.018668	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2Na"	45.978436
"1411062"	120.348204	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H+2Na"	46.985712
"1440624"	361.071646	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H+HCOOH"	47.012746
"229226"	342.08114	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+3H2O+2H"	56.04448
"1518382"	375.12369	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+IsoProp+H"	61.06479
"416978"	345.035088	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+Na+K"	61.952376
"777972"	502.064538	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+Na+K"	61.952376
"1669927"	188.005638	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Na+K"	61.952376
"254987"	692.133568	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+ACN+Na"	64.015768
"1230975"	378.074668	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+ACN+Na"	64.015768
"1717309"	378.098193	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+NH4+HCOOH"	64.039293
"1180842"	127.675518	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+3Na"	68.967654
"1650037"	383.053588	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Na+HCOOH"	68.994688
"161609"	705.03684	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+2K-H"	76.91904
"610650"	1019.09574	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+2K-H"	76.91904
"1098443"	390.97794	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2K-H"	76.91904
"156848"	353.022058	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"2M+2K"	77.926316
"596047"	510.051508	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"3M+2K"	77.926316
"1083223"	195.992608	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2K"	77.926316
"1114728"	392.992492	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2K+H"	78.933592
"1343457"	393.080107	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+DMSO+H"	79.021207
"1019648"	397.119276	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2ACN+H"	83.060376
"1531209"	398.112908	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+IsoProp+Na+H"	84.054008
"995469"	199.063276	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+2ACN+2H"	84.067652
"1594346"	399.027528	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+K+HCOOH"	84.968628
"1427298"	429.059038	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+H+CF3COOH"	115.000138
"1161964"	219.576551	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+3ACN+2H"	125.094202
"1703128"	446.085585	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+NH4+CF3COOH"	132.026685
"1640967"	451.04098	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+Na+CF3COOH"	136.98208
"1578805"	467.01492	"C07498"	"Malaoxon"	"C10H19O7PS"	"314.0589"	"M+K+CF3COOH"	152.95602
"805889"	206.1055	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M"	0
"977237"	187.08711	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-H2O-H"	-19.01839
"63654"	136.396390666667	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M-3H"	-3.021828
"503943"	205.098224	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M-3H"	-3.021828
"880328"	67.6945573333333	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-3H"	-3.021828
"442"	205.098224	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M-2H"	-2.014552
"440977"	308.150974	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M-2H"	-2.014552
"819139"	102.045474	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-2H"	-2.014552
"80596"	411.203724	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M-H"	-1.007276
"531460"	617.309224	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M-H"	-1.007276
"904888"	205.098224	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-H"	-1.007276
"55982"	428.230271	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M-2H+NH4"	16.019271
"493353"	634.335771	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M-2H+NH4"	16.019271
"868965"	222.124771	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-2H+NH4"	16.019271
"33948"	433.185666	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M-2H+Na"	20.974666
"473872"	639.291166	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M-2H+Na"	20.974666
"848879"	227.080166	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-2H+Na"	20.974666
"1619384"	227.080166	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Na-2H"	20.974666
"96279"	223.086563	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M-H+Cl"	33.962126
"540944"	326.139313	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M-H+Cl"	33.962126
"930084"	120.033813	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-H+Cl"	33.962126
"274107"	447.180402	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+Cl"	34.969402
"664343"	653.285902	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+Cl"	34.969402
"1276380"	241.074902	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Cl"	34.969402
"17116"	449.159606	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M-2H+K"	36.948606
"457770"	655.265106	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M-2H+K"	36.948606
"833139"	243.054106	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-2H+K"	36.948606
"1555644"	243.054106	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+K-2H"	36.948606
"947312"	251.103694	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-H+HCOOH"	44.998194
"366257"	457.209201	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+HCOOH-H"	44.998201
"360637"	471.224851	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+Hac-H"	59.013851
"1507376"	265.119351	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Hac-H"	59.013851
"972730"	273.085651	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-H+NaCOOH"	66.980151
"124555"	241.074902	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+2Cl"	69.938804
"563386"	344.127652	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+2Cl"	69.938804
"1034734"	138.022152	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2Cl"	69.938804
"1254306"	285.024385	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Br"	78.918885
"1319188"	287.080372	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Cl+HCOOH"	80.974872
"1335105"	309.062329	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Cl+NaCOOH"	102.956829
"918747"	319.091086	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M-H+CF3COOH"	112.985586
"1294361"	355.067764	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Cl+CF3COOH"	148.962264
"1375807"	171.092824	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H-2H2O"	-35.012676
"1390023"	189.1028	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H-H2O"	-17.0027
"295179"	413.218276	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+H"	1.007276
"681039"	619.323776	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+H"	1.007276
"1357386"	207.112776	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H"	1.007276
"134650"	207.112776	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+2H"	2.014552
"572025"	310.165526	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+2H"	2.014552
"1043012"	104.060026	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2H"	2.014552
"212006"	138.410942666667	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+3H"	3.021828
"649381"	207.112776	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+3H"	3.021828
"1165681"	69.7091093333333	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+3H"	3.021828
"434793"	430.244823	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+NH4"	18.033823
"790686"	636.350323	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+NH4"	18.033823
"1684832"	224.139323	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+NH4"	18.033823
"336390"	215.6260495	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+H+NH4"	19.041099
"726625"	318.6787995	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+H+NH4"	19.041099
"1484822"	112.5732995	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H+NH4"	19.041099
"394753"	435.200218	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+Na"	22.989218
"763405"	641.305718	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+Na"	22.989218
"1606038"	229.094718	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Na"	22.989218
"315348"	218.103747	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+H+Na"	23.996494
"708618"	321.156497	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+H+Na"	23.996494
"1461951"	115.050997	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H+Na"	23.996494
"1054105"	77.0364233333333	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2H+Na"	25.00377
"1258334"	239.138986	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+CH3OH+H"	33.033486
"378001"	451.174158	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+K"	38.963158
"738681"	657.279658	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+K"	38.963158
"1540318"	245.068658	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+K"	38.963158
"298693"	226.090717	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+H+K"	39.970434
"691820"	329.143467	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+H+K"	39.970434
"1448848"	123.037967	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H+K"	39.970434
"246202"	454.244826	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+ACN+H"	42.033826
"1221097"	248.139326	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+ACN+H"	42.033826
"1198419"	124.573301	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+ACN+2H"	43.041102
"191288"	457.18216	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+2Na-H"	44.97116
"637417"	663.28766	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+2Na-H"	44.97116
"1140194"	251.07666	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2Na-H"	44.97116
"182032"	229.094718	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+2Na"	45.978436
"624507"	332.147468	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+2Na"	45.978436
"1125460"	126.041968	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2Na"	45.978436
"1411172"	84.3637373333333	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H+2Na"	46.985712
"1440735"	253.118246	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H+HCOOH"	47.012746
"229336"	234.12774	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+3H2O+2H"	56.04448
"1517399"	267.17029	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+IsoProp+H"	61.06479
"418181"	237.081688	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+Na+K"	61.952376
"778082"	340.134438	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+Na+K"	61.952376
"1670037"	134.028938	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Na+K"	61.952376
"254004"	476.226768	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+ACN+Na"	64.015768
"1228899"	270.121268	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+ACN+Na"	64.015768
"1716690"	270.144793	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+NH4+HCOOH"	64.039293
"1180223"	91.6910513333333	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+3Na"	68.967654
"1650515"	275.100188	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Na+HCOOH"	68.994688
"158802"	489.13004	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+2K-H"	76.91904
"610760"	695.23554	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+2K-H"	76.91904
"1094178"	283.02454	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2K-H"	76.91904
"155370"	245.068658	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"2M+2K"	77.926316
"596683"	348.121408	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"3M+2K"	77.926316
"1082724"	142.015908	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2K"	77.926316
"1114717"	285.039092	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2K+H"	78.933592
"1341381"	285.126707	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+DMSO+H"	79.021207
"1019757"	289.165876	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2ACN+H"	83.060376
"1531319"	290.159508	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+IsoProp+Na+H"	84.054008
"995579"	145.086576	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+2ACN+2H"	84.067652
"1591176"	291.074128	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+K+HCOOH"	84.968628
"1427408"	321.105638	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+H+CF3COOH"	115.000138
"1162074"	165.599851	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+3ACN+2H"	125.094202
"1702144"	338.132185	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+NH4+CF3COOH"	132.026685
"1641077"	343.08758	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+Na+CF3COOH"	136.98208
"1578915"	359.06152	"C07499"	"Phenylethylmalonamide;2-Phenyl-2-ethylmalondiamide;PEMA"	"C11H14N2O2"	"206.1055"	"M+K+CF3COOH"	152.95602
"803812"	129.079	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M"	0
"977347"	110.06061	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-H2O-H"	-19.01839
"67043"	85.0453906666667	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M-3H"	-3.021828
"505511"	128.071724	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M-3H"	-3.021828
"881127"	42.0190573333333	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-3H"	-3.021828
"1525"	128.071724	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M-2H"	-2.014552
"443273"	192.611224	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M-2H"	-2.014552
"818885"	63.532224	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-2H"	-2.014552
"82164"	257.150724	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M-H"	-1.007276
"528290"	386.229724	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M-H"	-1.007276
"903905"	128.071724	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-H"	-1.007276
"56092"	274.177271	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M-2H+NH4"	16.019271
"493463"	403.256271	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M-2H+NH4"	16.019271
"869077"	145.098271	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-2H+NH4"	16.019271
"34786"	279.132666	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M-2H+Na"	20.974666
"474714"	408.211666	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M-2H+Na"	20.974666
"851419"	150.053666	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-2H+Na"	20.974666
"1621317"	150.053666	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Na-2H"	20.974666
"98212"	146.060063	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M-H+Cl"	33.962126
"534897"	210.599563	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M-H+Cl"	33.962126
"933475"	81.520563	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-H+Cl"	33.962126
"272030"	293.127402	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+Cl"	34.969402
"663360"	422.206402	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+Cl"	34.969402
"1275763"	164.048402	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Cl"	34.969402
"17469"	295.106606	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M-2H+K"	36.948606
"456300"	424.185606	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M-2H+K"	36.948606
"833739"	166.027606	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-2H+K"	36.948606
"1556377"	166.027606	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+K-2H"	36.948606
"944872"	174.077194	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-H+HCOOH"	44.998194
"372569"	303.156201	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+HCOOH-H"	44.998201
"360350"	317.171851	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+Hac-H"	59.013851
"1507486"	188.092851	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Hac-H"	59.013851
"973080"	196.059151	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-H+NaCOOH"	66.980151
"122105"	164.048402	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+2Cl"	69.938804
"559478"	228.587902	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+2Cl"	69.938804
"1032650"	99.508902	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2Cl"	69.938804
"1247855"	207.997885	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Br"	78.918885
"1310302"	210.053872	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Cl+HCOOH"	80.974872
"1322332"	232.035829	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Cl+NaCOOH"	102.956829
"914484"	242.064586	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M-H+CF3COOH"	112.985586
"1296663"	278.041264	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Cl+CF3COOH"	148.962264
"1380659"	94.066324	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H-2H2O"	-35.012676
"1393417"	112.0763	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H-H2O"	-17.0027
"294197"	259.165276	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+H"	1.007276
"687346"	388.244276	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+H"	1.007276
"1358590"	130.086276	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H"	1.007276
"131479"	130.086276	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+2H"	2.014552
"575054"	194.625776	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+2H"	2.014552
"1043125"	65.546776	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2H"	2.014552
"212118"	87.0599426666667	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+3H"	3.021828
"650587"	130.086276	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+3H"	3.021828
"1174179"	44.0336093333333	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+3H"	3.021828
"431987"	276.191823	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+NH4"	18.033823
"794076"	405.270823	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+NH4"	18.033823
"1683849"	147.112823	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+NH4"	18.033823
"339416"	138.5995495	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+H+NH4"	19.041099
"726735"	203.1390495	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+H+NH4"	19.041099
"1484933"	74.0600495	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H+NH4"	19.041099
"401426"	281.147218	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+Na"	22.989218
"763515"	410.226218	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+Na"	22.989218
"1603473"	152.068218	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Na"	22.989218
"314968"	141.077247	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+H+Na"	23.996494
"707514"	205.616747	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+H+Na"	23.996494
"1462063"	76.537747	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H+Na"	23.996494
"1054215"	51.3609233333333	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2H+Na"	25.00377
"1258811"	162.112486	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+CH3OH+H"	33.033486
"377626"	297.121158	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+K"	38.963158
"738982"	426.200158	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+K"	38.963158
"1539963"	168.042158	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+K"	38.963158
"298670"	149.064217	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+H+K"	39.970434
"691404"	213.603717	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+H+K"	39.970434
"1448958"	84.524717	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H+K"	39.970434
"244124"	300.191826	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+ACN+H"	42.033826
"1219021"	171.112826	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+ACN+H"	42.033826
"1199622"	86.060051	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+ACN+2H"	43.041102
"190670"	303.12916	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+2Na-H"	44.97116
"635338"	432.20816	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+2Na-H"	44.97116
"1137388"	174.05016	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2Na-H"	44.97116
"182142"	152.068218	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+2Na"	45.978436
"623889"	216.607718	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+2Na"	45.978436
"1127393"	87.528718	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2Na"	45.978436
"1410917"	58.6882373333333	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H+2Na"	46.985712
"1443397"	176.091746	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H+HCOOH"	47.012746
"232727"	157.10124	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+3H2O+2H"	56.04448
"1521520"	190.14379	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+IsoProp+H"	61.06479
"417197"	160.055188	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+Na+K"	61.952376
"777098"	224.594688	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+Na+K"	61.952376
"1670147"	95.515688	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Na+K"	61.952376
"254478"	322.173768	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+ACN+Na"	64.015768
"1229009"	193.094768	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+ACN+Na"	64.015768
"1715708"	193.118293	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+NH4+HCOOH"	64.039293
"1182153"	66.0155513333333	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+3Na"	68.967654
"1650262"	198.073688	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Na+HCOOH"	68.994688
"161464"	335.07704	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+2K-H"	76.91904
"610870"	464.15604	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+2K-H"	76.91904
"1093195"	205.99804	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2K-H"	76.91904
"154386"	168.042158	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"2M+2K"	77.926316
"596261"	232.581658	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"3M+2K"	77.926316
"1082834"	103.502658	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2K"	77.926316
"1113491"	208.012592	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2K+H"	78.933592
"1343676"	208.100207	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+DMSO+H"	79.021207
"1012207"	212.139376	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2ACN+H"	83.060376
"1531429"	213.133008	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+IsoProp+Na+H"	84.054008
"994595"	106.573326	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+2ACN+2H"	84.067652
"1591285"	214.047628	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+K+HCOOH"	84.968628
"1419130"	244.079138	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+H+CF3COOH"	115.000138
"1152703"	127.086601	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+3ACN+2H"	125.094202
"1701161"	261.105685	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+NH4+CF3COOH"	132.026685
"1637907"	266.06108	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+Na+CF3COOH"	136.98208
"1579025"	282.03502	"C07500"	"Vigabatrin"	"C6H11NO2"	"129.079"	"M+K+CF3COOH"	152.95602
"803193"	238.0954	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M"	0
"982924"	219.07701	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-H2O-H"	-19.01839
"64969"	157.722990666667	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M-3H"	-3.021828
"507447"	237.088124	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M-3H"	-3.021828
"885248"	78.3578573333333	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-3H"	-3.021828
"6009"	237.088124	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M-2H"	-2.014552
"444477"	356.135824	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M-2H"	-2.014552
"822277"	118.040424	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-2H"	-2.014552
"81182"	475.183524	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M-H"	-1.007276
"528400"	713.278924	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M-H"	-1.007276
"904015"	237.088124	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-H"	-1.007276
"56202"	492.210071	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M-2H+NH4"	16.019271
"494668"	730.305471	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M-2H+NH4"	16.019271
"869188"	254.114671	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-2H+NH4"	16.019271
"38181"	497.165466	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M-2H+Na"	20.974666
"475555"	735.260866	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M-2H+Na"	20.974666
"851169"	259.070066	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-2H+Na"	20.974666
"1619485"	259.070066	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Na-2H"	20.974666
"99418"	255.076463	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M-H+Cl"	33.962126
"536792"	374.124163	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M-H+Cl"	33.962126
"939053"	136.028763	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-H+Cl"	33.962126
"274329"	511.160202	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+Cl"	34.969402
"667844"	749.255602	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+Cl"	34.969402
"1278060"	273.064802	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Cl"	34.969402
"17458"	513.139406	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M-2H+K"	36.948606
"457141"	751.234806	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M-2H+K"	36.948606
"833971"	275.044006	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-2H+K"	36.948606
"1559283"	275.044006	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+K-2H"	36.948606
"947169"	283.093594	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-H+HCOOH"	44.998194
"374866"	521.189001	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+HCOOH-H"	44.998201
"360702"	535.204651	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+Hac-H"	59.013851
"1507596"	297.109251	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Hac-H"	59.013851
"972950"	305.075551	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-H+NaCOOH"	66.980151
"124408"	273.064802	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+2Cl"	69.938804
"565064"	392.112502	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+2Cl"	69.938804
"1036413"	154.017102	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2Cl"	69.938804
"1256597"	317.014285	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Br"	78.918885
"1318801"	319.070272	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Cl+HCOOH"	80.974872
"1333012"	341.052229	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Cl+NaCOOH"	102.956829
"921154"	351.080986	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M-H+CF3COOH"	112.985586
"1296773"	387.057664	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Cl+CF3COOH"	148.962264
"1371651"	203.082724	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H-2H2O"	-35.012676
"1397540"	221.0927	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H-H2O"	-17.0027
"297593"	477.198076	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+H"	1.007276
"688186"	715.293476	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+H"	1.007276
"1358701"	239.102676	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H"	1.007276
"131589"	239.102676	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+2H"	2.014552
"579538"	358.150376	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+2H"	2.014552
"1049797"	120.054976	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2H"	2.014552
"215874"	159.737542666667	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+3H"	3.021828
"650696"	239.102676	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+3H"	3.021828
"1169915"	80.3724093333333	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+3H"	3.021828
"435377"	494.224623	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+NH4"	18.033823
"797103"	732.320023	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+NH4"	18.033823
"1692706"	256.129223	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+NH4"	18.033823
"342442"	247.6159495	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+H+NH4"	19.041099
"725752"	366.6636495	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+H+NH4"	19.041099
"1492565"	128.5682495	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H+NH4"	19.041099
"408309"	499.180018	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+Na"	22.989218
"766906"	737.275418	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+Na"	22.989218
"1615736"	261.084618	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Na"	22.989218
"321763"	250.093647	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+H+Na"	23.996494
"712001"	369.141347	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+H+Na"	23.996494
"1465089"	131.045947	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H+Na"	23.996494
"1055784"	87.6997233333333	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2H+Na"	25.00377
"1261109"	271.128886	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+CH3OH+H"	33.033486
"381503"	515.153958	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+K"	38.963158
"740677"	753.249358	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+K"	38.963158
"1540377"	277.058558	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+K"	38.963158
"300637"	258.080617	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+H+K"	39.970434
"693784"	377.128317	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+H+K"	39.970434
"1449068"	139.032917	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H+K"	39.970434
"244236"	518.224626	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+ACN+H"	42.033826
"1221318"	280.129226	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+ACN+H"	42.033826
"1203014"	140.568251	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+ACN+2H"	43.041102
"195884"	521.16196	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+2Na-H"	44.97116
"637634"	759.25736	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+2Na-H"	44.97116
"1137498"	283.06656	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2Na-H"	44.97116
"184436"	261.084618	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+2Na"	45.978436
"625457"	380.132318	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+2Na"	45.978436
"1128234"	142.036918	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2Na"	45.978436
"1411394"	95.0270373333333	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H+2Na"	46.985712
"1441685"	285.108146	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H+HCOOH"	47.012746
"232111"	266.11764	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+3H2O+2H"	56.04448
"1521876"	299.16019	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+IsoProp+H"	61.06479
"418401"	269.071588	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+Na+K"	61.952376
"776115"	388.119288	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+Na+K"	61.952376
"1670257"	150.023888	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Na+K"	61.952376
"257871"	540.206568	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+ACN+Na"	64.015768
"1228755"	302.111168	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+ACN+Na"	64.015768
"1712842"	302.134693	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+NH4+HCOOH"	64.039293
"1179834"	102.354351333333	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+3Na"	68.967654
"1652522"	307.090088	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Na+HCOOH"	68.994688
"160481"	553.10984	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+2K-H"	76.91904
"610980"	791.20524	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+2K-H"	76.91904
"1088930"	315.01444	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2K-H"	76.91904
"145747"	277.058558	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"2M+2K"	77.926316
"595154"	396.106258	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"3M+2K"	77.926316
"1081850"	158.010858	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2K"	77.926316
"1112871"	317.028992	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2K+H"	78.933592
"1341600"	317.116607	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+DMSO+H"	79.021207
"1015598"	321.155776	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2ACN+H"	83.060376
"1529352"	322.149408	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+IsoProp+Na+H"	84.054008
"993612"	161.081526	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+2ACN+2H"	84.067652
"1593582"	323.064028	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+K+HCOOH"	84.968628
"1422521"	353.095538	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+H+CF3COOH"	115.000138
"1156093"	181.594801	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+3ACN+2H"	125.094202
"1703457"	370.122085	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+NH4+CF3COOH"	132.026685
"1641297"	375.07748	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+Na+CF3COOH"	136.98208
"1579135"	391.05142	"C07501"	"Felbamate"	"C11H14N2O4"	"238.0954"	"M+K+CF3COOH"	152.95602
"801678"	339.0988	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M"	0
"977567"	320.08041	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-H2O-H"	-19.01839
"66899"	225.058590666667	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M-3H"	-3.021828
"507554"	338.091524	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M-3H"	-3.021828
"883168"	112.025657333333	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-3H"	-3.021828
"5025"	338.091524	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M-2H"	-2.014552
"442398"	507.640924	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M-2H"	-2.014552
"823481"	168.542124	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-2H"	-2.014552
"83479"	677.190324	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M-H"	-1.007276
"529603"	1016.289124	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M-H"	-1.007276
"904125"	338.091524	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-H"	-1.007276
"56313"	694.216871	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M-2H+NH4"	16.019271
"495873"	1033.315671	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M-2H+NH4"	16.019271
"874766"	355.118071	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-2H+NH4"	16.019271
"39387"	699.172266	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M-2H+Na"	20.974666
"475666"	1038.271066	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M-2H+Na"	20.974666
"853465"	360.073466	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-2H+Na"	20.974666
"1619841"	360.073466	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Na-2H"	20.974666
"98435"	356.079863	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M-H+Cl"	33.962126
"539090"	525.629263	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M-H+Cl"	33.962126
"938070"	186.530463	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-H+Cl"	33.962126
"276628"	713.167002	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+Cl"	34.969402
"674150"	1052.265802	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+Cl"	34.969402
"1283637"	374.068202	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Cl"	34.969402
"21820"	715.146206	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M-2H+K"	36.948606
"460288"	1054.245006	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M-2H+K"	36.948606
"835535"	376.047406	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-2H+K"	36.948606
"1558294"	376.047406	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+K-2H"	36.948606
"949463"	384.096994	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-H+HCOOH"	44.998194
"374976"	723.195801	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+HCOOH-H"	44.998201
"361135"	737.211451	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+Hac-H"	59.013851
"1507216"	398.112651	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Hac-H"	59.013851
"972815"	406.078951	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-H+NaCOOH"	66.980151
"123423"	374.068202	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+2Cl"	69.938804
"565498"	543.617602	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+2Cl"	69.938804
"1035793"	204.518802	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2Cl"	69.938804
"1255001"	418.017685	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Br"	78.918885
"1318548"	420.073672	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Cl+HCOOH"	80.974872
"1332758"	442.055629	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Cl+NaCOOH"	102.956829
"921263"	452.084386	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M-H+CF3COOH"	112.985586
"1296883"	488.061064	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Cl+CF3COOH"	148.962264
"1372854"	304.086124	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H-2H2O"	-35.012676
"1398097"	322.0961	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H-H2O"	-17.0027
"297336"	679.204876	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+H"	1.007276
"687203"	1018.303676	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+H"	1.007276
"1356624"	340.106076	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H"	1.007276
"131699"	340.106076	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+2H"	2.014552
"575634"	509.655476	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+2H"	2.014552
"1049543"	170.556676	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2H"	2.014552
"215984"	227.073142666667	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+3H"	3.021828
"651899"	340.106076	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+3H"	3.021828
"1171118"	114.040209333333	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+3H"	3.021828
"434399"	696.231423	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+NH4"	18.033823
"794299"	1035.330223	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+NH4"	18.033823
"1690629"	357.132623	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+NH4"	18.033823
"340001"	348.6193495	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+H+NH4"	19.041099
"729142"	518.1687495	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+H+NH4"	19.041099
"1489162"	179.0699495	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H+NH4"	19.041099
"400550"	701.186818	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+Na"	22.989218
"767016"	1040.285618	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+Na"	22.989218
"1616941"	362.088018	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Na"	22.989218
"322970"	351.097047	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+H+Na"	23.996494
"712111"	520.646447	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+H+Na"	23.996494
"1463744"	181.547647	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H+Na"	23.996494
"1054802"	121.367523333333	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2H+Na"	25.00377
"1264135"	372.132286	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+CH3OH+H"	33.033486
"384893"	717.160758	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+K"	38.963158
"741516"	1056.259558	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+K"	38.963158
"1541018"	378.061958	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+K"	38.963158
"300018"	359.084017	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+H+K"	39.970434
"693171"	528.633417	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+H+K"	39.970434
"1457202"	189.534617	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H+K"	39.970434
"244350"	720.231426	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+ACN+H"	42.033826
"1219243"	381.132626	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+ACN+H"	42.033826
"1204218"	191.069951	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+ACN+2H"	43.041102
"195995"	723.16876	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+2Na-H"	44.97116
"638840"	1062.26756	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+2Na-H"	44.97116
"1137244"	384.06996	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2Na-H"	44.97116
"184913"	362.088018	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+2Na"	45.978436
"623745"	531.637418	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+2Na"	45.978436
"1125793"	192.538618	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2Na"	45.978436
"1408223"	128.694837333333	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H+2Na"	46.985712
"1443256"	386.111546	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H+HCOOH"	47.012746
"232587"	367.12104	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+3H2O+2H"	56.04448
"1521742"	400.16359	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+IsoProp+H"	61.06479
"417417"	370.074988	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+Na+K"	61.952376
"779141"	539.624388	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+Na+K"	61.952376
"1675835"	200.525588	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Na+K"	61.952376
"257981"	742.213368	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+ACN+Na"	64.015768
"1230689"	403.114568	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+ACN+Na"	64.015768
"1718482"	403.138093	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+NH4+HCOOH"	64.039293
"1179215"	136.022151333333	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+3Na"	68.967654
"1651540"	408.093488	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Na+HCOOH"	68.994688
"158767"	755.11664	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+2K-H"	76.91904
"607810"	1094.21544	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+2K-H"	76.91904
"1089040"	416.01784	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2K-H"	76.91904
"146218"	378.061958	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"2M+2K"	77.926316
"595263"	547.611358	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"3M+2K"	77.926316
"1079773"	208.512558	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2K"	77.926316
"1112981"	418.032392	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2K+H"	78.933592
"1344992"	418.120007	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+DMSO+H"	79.021207
"1015710"	422.159176	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2ACN+H"	83.060376
"1532742"	423.152808	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+IsoProp+Na+H"	84.054008
"994815"	211.583226	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+2ACN+2H"	84.067652
"1591505"	424.067428	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+K+HCOOH"	84.968628
"1421538"	454.098938	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+H+CF3COOH"	115.000138
"1156203"	232.096501	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+3ACN+2H"	125.094202
"1703567"	471.125485	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+NH4+CF3COOH"	132.026685
"1637030"	476.08088	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+Na+CF3COOH"	136.98208
"1579245"	492.05482	"C07502"	"Topiramate"	"C12H21NO8S"	"339.0988"	"M+K+CF3COOH"	152.95602
"815445"	375.1327	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M"	0
"979865"	356.11431	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-H2O-H"	-19.01839
"68105"	249.081190666667	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M-3H"	-3.021828
"509852"	374.125424	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M-3H"	-3.021828
"885465"	124.036957333333	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-3H"	-3.021828
"5137"	374.125424	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M-2H"	-2.014552
"443604"	561.691774	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M-2H"	-2.014552
"822499"	186.559074	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-2H"	-2.014552
"83589"	749.258124	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M-H"	-1.007276
"526434"	1124.390824	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M-H"	-1.007276
"906425"	374.125424	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-H"	-1.007276
"54237"	766.284671	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M-2H+NH4"	16.019271
"490516"	1141.417371	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M-2H+NH4"	16.019271
"872690"	391.151971	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-2H+NH4"	16.019271
"37310"	771.240066	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M-2H+Na"	20.974666
"475409"	1146.372766	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M-2H+Na"	20.974666
"854668"	396.107366	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-2H+Na"	20.974666
"1623110"	396.107366	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Na-2H"	20.974666
"99640"	392.113763	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M-H+Cl"	33.962126
"542480"	579.680113	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M-H+Cl"	33.962126
"938180"	204.547413	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-H+Cl"	33.962126
"275644"	785.234802	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+Cl"	34.969402
"673531"	1160.367502	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+Cl"	34.969402
"1282654"	410.102102	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Cl"	34.969402
"17557"	787.214006	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M-2H+K"	36.948606
"459305"	1162.346706	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M-2H+K"	36.948606
"835282"	412.081306	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-2H+K"	36.948606
"1557189"	412.081306	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+K-2H"	36.948606
"946291"	420.130894	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-H+HCOOH"	44.998194
"376180"	795.263601	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+HCOOH-H"	44.998201
"361164"	809.279251	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+Hac-H"	59.013851
"1506962"	434.146551	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Hac-H"	59.013851
"972560"	442.112851	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-H+NaCOOH"	66.980151
"125601"	410.102102	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+2Cl"	69.938804
"564917"	597.668452	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+2Cl"	69.938804
"1036513"	222.535752	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2Cl"	69.938804
"1255477"	454.051585	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Br"	78.918885
"1319751"	456.107572	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Cl+HCOOH"	80.974872
"1331774"	478.089529	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Cl+NaCOOH"	102.956829
"925020"	488.118286	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M-H+CF3COOH"	112.985586
"1295895"	524.094964	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Cl+CF3COOH"	148.962264
"1374057"	340.120024	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H-2H2O"	-35.012676
"1388275"	358.13	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H-H2O"	-17.0027
"292703"	751.272676	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+H"	1.007276
"685126"	1126.405376	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+H"	1.007276
"1354181"	376.139976	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H"	1.007276
"129257"	376.139976	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+2H"	2.014552
"570277"	563.706326	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+2H"	2.014552
"1049653"	188.573626	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2H"	2.014552
"210260"	251.095742666667	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+3H"	3.021828
"652009"	376.139976	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+3H"	3.021828
"1170135"	126.051509333333	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+3H"	3.021828
"437427"	768.299223	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+NH4"	18.033823
"794409"	1143.431923	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+NH4"	18.033823
"1687459"	393.166523	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+NH4"	18.033823
"336830"	384.6532495	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+H+NH4"	19.041099
"725971"	572.2195995	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+H+NH4"	19.041099
"1490365"	197.0868995	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H+NH4"	19.041099
"402846"	773.254618	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+Na"	22.989218
"768220"	1148.387318	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+Na"	22.989218
"1616320"	398.121918	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Na"	22.989218
"324173"	387.130947	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+H+Na"	23.996494
"715501"	574.697297	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+H+Na"	23.996494
"1466042"	199.564597	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H+Na"	23.996494
"1056006"	133.378823333333	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2H+Na"	25.00377
"1268619"	408.166186	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+CH3OH+H"	33.033486
"387191"	789.228558	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+K"	38.963158
"745998"	1164.361258	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+K"	38.963158
"1544774"	414.095858	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+K"	38.963158
"303044"	395.117917	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+H+K"	39.970434
"695467"	582.684267	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+H+K"	39.970434
"1458042"	207.551567	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H+K"	39.970434
"245554"	792.299226	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+ACN+H"	42.033826
"1221540"	417.166526	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+ACN+H"	42.033826
"1205422"	209.086901	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+ACN+2H"	43.041102
"198292"	795.23656	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+2Na-H"	44.97116
"638950"	1170.36926	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+2Na-H"	44.97116
"1137354"	420.10386	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2Na-H"	44.97116
"184294"	398.121918	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+2Na"	45.978436
"623856"	585.688268	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+2Na"	45.978436
"1130036"	210.555568	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2Na"	45.978436
"1413322"	140.706137333333	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H+2Na"	46.985712
"1445072"	422.145446	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H+HCOOH"	47.012746
"234277"	403.15494	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+3H2O+2H"	56.04448
"1522216"	436.19749	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+IsoProp+H"	61.06479
"415340"	406.108888	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+Na+K"	61.952376
"776335"	593.675238	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+Na+K"	61.952376
"1669385"	218.542538	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Na+K"	61.952376
"259184"	814.281168	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+ACN+Na"	64.015768
"1226790"	439.148468	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+ACN+Na"	64.015768
"1718592"	439.171993	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+NH4+HCOOH"	64.039293
"1179937"	148.033451333333	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+3Na"	68.967654
"1653836"	444.127388	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Na+HCOOH"	68.994688
"159971"	827.18444	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+2K-H"	76.91904
"607920"	1202.31714	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+2K-H"	76.91904
"1089150"	452.05174	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2K-H"	76.91904
"150339"	414.095858	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"2M+2K"	77.926316
"595374"	601.662208	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"3M+2K"	77.926316
"1078791"	226.529508	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2K"	77.926316
"1110905"	454.066292	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2K+H"	78.933592
"1346197"	454.153907	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+DMSO+H"	79.021207
"1015821"	458.193076	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2ACN+H"	83.060376
"1529572"	459.186708	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+IsoProp+Na+H"	84.054008
"998205"	229.600176	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+2ACN+2H"	84.067652
"1597085"	460.101328	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+K+HCOOH"	84.968628
"1426026"	490.132838	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+H+CF3COOH"	115.000138
"1158503"	250.113451	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+3ACN+2H"	125.094202
"1700398"	507.159385	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+NH4+CF3COOH"	132.026685
"1634956"	512.11478	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+Na+CF3COOH"	136.98208
"1579355"	528.08872	"C07503"	"Tiagabine"	"C20H25NO2S2"	"375.1327"	"M+K+CF3COOH"	152.95602
"803159"	212.0256	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M"	0
"975722"	193.00721	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-H2O-H"	-19.01839
"67122"	140.343124	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M-3H"	-3.021828
"505586"	211.018324	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M-3H"	-3.021828
"882295"	69.667924	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-3H"	-3.021828
"1478"	211.018324	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M-2H"	-2.014552
"441526"	317.031124	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M-2H"	-2.014552
"817264"	105.005524	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-2H"	-2.014552
"82970"	423.043924	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M-H"	-1.007276
"529824"	635.069524	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M-H"	-1.007276
"908358"	211.018324	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-H"	-1.007276
"53254"	440.070471	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M-2H+NH4"	16.019271
"491719"	652.096071	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M-2H+NH4"	16.019271
"871707"	228.044871	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-2H+NH4"	16.019271
"36326"	445.025866	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M-2H+Na"	20.974666
"472240"	657.051466	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M-2H+Na"	20.974666
"852592"	233.000266	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-2H+Na"	20.974666
"1623222"	233.000266	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Na-2H"	20.974666
"101937"	229.006663	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M-H+Cl"	33.962126
"541496"	335.019463	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M-H+Cl"	33.962126
"937197"	122.993863	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-H+Cl"	33.962126
"273568"	459.020602	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+Cl"	34.969402
"673641"	671.046202	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+Cl"	34.969402
"1279484"	246.995002	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Cl"	34.969402
"18760"	460.999806	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M-2H+K"	36.948606
"456133"	673.025406	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M-2H+K"	36.948606
"833934"	248.974206	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-2H+K"	36.948606
"1558515"	248.974206	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+K-2H"	36.948606
"943486"	257.023794	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-H+HCOOH"	44.998194
"374832"	469.049401	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+HCOOH-H"	44.998201
"355068"	483.065051	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+Hac-H"	59.013851
"1507434"	271.039451	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Hac-H"	59.013851
"973999"	279.005751	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-H+NaCOOH"	66.980151
"124737"	246.995002	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+2Cl"	69.938804
"564662"	353.007802	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+2Cl"	69.938804
"1036741"	140.982202	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2Cl"	69.938804
"1254856"	290.944485	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Br"	78.918885
"1319658"	293.000472	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Cl+HCOOH"	80.974872
"1334801"	314.982429	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Cl+NaCOOH"	102.956829
"924765"	325.011186	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M-H+CF3COOH"	112.985586
"1296005"	360.987864	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Cl+CF3COOH"	148.962264
"1371979"	177.012924	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H-2H2O"	-35.012676
"1388385"	195.0229	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H-H2O"	-17.0027
"293177"	425.058476	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+H"	1.007276
"685965"	637.084076	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+H"	1.007276
"1354292"	213.032876	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H"	1.007276
"130097"	213.032876	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+2H"	2.014552
"569294"	319.045676	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+2H"	2.014552
"1051220"	107.020076	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2H"	2.014552
"209277"	142.357676	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+3H"	3.021828
"652119"	213.032876	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+3H"	3.021828
"1170245"	71.682476	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+3H"	3.021828
"437535"	442.085023	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+NH4"	18.033823
"794519"	654.110623	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+NH4"	18.033823
"1684653"	230.059423	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+NH4"	18.033823
"333660"	221.5461495	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+H+NH4"	19.041099
"724380"	327.5589495	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+H+NH4"	19.041099
"1489381"	115.5333495	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H+NH4"	19.041099
"398583"	447.040418	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+Na"	22.989218
"766143"	659.066018	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+Na"	22.989218
"1613150"	235.014818	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Na"	22.989218
"326470"	224.023847	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+H+Na"	23.996494
"715611"	330.036647	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+H+Na"	23.996494
"1467245"	118.011047	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H+Na"	23.996494
"1056116"	79.00979	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2H+Na"	25.00377
"1267636"	245.059086	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+CH3OH+H"	33.033486
"385113"	463.014358	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+K"	38.963158
"746109"	675.039958	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+K"	38.963158
"1543791"	250.988758	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+K"	38.963158
"302063"	232.010817	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+H+K"	39.970434
"693391"	338.023617	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+H+K"	39.970434
"1454872"	125.998017	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H+K"	39.970434
"245664"	466.085026	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+ACN+H"	42.033826
"1219464"	254.059426	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+ACN+H"	42.033826
"1204439"	127.533351	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+ACN+2H"	43.041102
"198403"	469.02236	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+2Na-H"	44.97116
"639060"	681.04796	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+2Na-H"	44.97116
"1137100"	256.99676	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2Na-H"	44.97116
"183675"	235.014818	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+2Na"	45.978436
"623966"	341.027618	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+2Na"	45.978436
"1129295"	129.002018	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2Na"	45.978436
"1412454"	86.337104	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H+2Na"	46.985712
"1445385"	259.038346	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H+HCOOH"	47.012746
"231349"	240.04784	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+3H2O+2H"	56.04448
"1521598"	273.09039	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+IsoProp+H"	61.06479
"415450"	243.001788	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+Na+K"	61.952376
"776445"	349.014588	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+Na+K"	61.952376
"1669495"	136.988988	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Na+K"	61.952376
"260388"	488.066968	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+ACN+Na"	64.015768
"1228723"	276.041368	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+ACN+Na"	64.015768
"1718702"	276.064893	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+NH4+HCOOH"	64.039293
"1180776"	93.664418	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+3Na"	68.967654
"1655040"	281.020288	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Na+HCOOH"	68.994688
"165186"	500.97024	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+2K-H"	76.91904
"605843"	712.99584	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+2K-H"	76.91904
"1096916"	288.94464	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2K-H"	76.91904
"153733"	250.988758	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"2M+2K"	77.926316
"595360"	357.001558	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"3M+2K"	77.926316
"1081089"	144.975958	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2K"	77.926316
"1112110"	290.959192	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2K+H"	78.933592
"1345215"	291.046807	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+DMSO+H"	79.021207
"1015931"	295.085976	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2ACN+H"	83.060376
"1530775"	296.079608	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+IsoProp+Na+H"	84.054008
"998315"	148.046626	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+2ACN+2H"	84.067652
"1593912"	296.994228	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+K+HCOOH"	84.968628
"1426136"	327.025738	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+H+CF3COOH"	115.000138
"1160436"	168.559901	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+3ACN+2H"	125.094202
"1703788"	344.052285	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+NH4+CF3COOH"	132.026685
"1636159"	349.00768	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+Na+CF3COOH"	136.98208
"1579465"	364.98162	"C07504"	"Zonisamide"	"C8H8N2O3S"	"212.0256"	"M+K+CF3COOH"	152.95602
"801401"	141.079	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M"	0
"974277"	122.06061	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-H2O-H"	-19.01839
"63952"	93.0453906666667	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M-3H"	-3.021828
"503506"	140.071724	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M-3H"	-3.021828
"880582"	46.0190573333333	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-3H"	-3.021828
"2801"	140.071724	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M-2H"	-2.014552
"441269"	210.611224	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M-2H"	-2.014552
"818348"	69.532224	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-2H"	-2.014552
"83809"	281.150724	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M-H"	-1.007276
"529934"	422.229724	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M-H"	-1.007276
"905553"	140.071724	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-H"	-1.007276
"54456"	298.177271	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M-2H+NH4"	16.019271
"495109"	439.256271	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M-2H+NH4"	16.019271
"870723"	157.098271	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-2H+NH4"	16.019271
"35343"	303.132666	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M-2H+Na"	20.974666
"473079"	444.211666	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M-2H+Na"	20.974666
"851972"	162.053666	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-2H+Na"	20.974666
"1623332"	162.053666	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Na-2H"	20.974666
"99860"	158.060063	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M-H+Cl"	33.962126
"538326"	228.599563	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M-H+Cl"	33.962126
"937307"	87.520563	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-H+Cl"	33.962126
"276958"	317.127402	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+Cl"	34.969402
"670471"	458.206402	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+Cl"	34.969402
"1276313"	176.048402	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Cl"	34.969402
"19964"	319.106606	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M-2H+K"	36.948606
"456608"	460.185606	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M-2H+K"	36.948606
"836230"	178.027606	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-2H+K"	36.948606
"1556682"	178.027606	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+K-2H"	36.948606
"946512"	186.077194	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-H+HCOOH"	44.998194
"374578"	327.156201	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+HCOOH-H"	44.998201
"358461"	341.171851	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+Hac-H"	59.013851
"1506572"	200.092851	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Hac-H"	59.013851
"973258"	208.059151	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-H+NaCOOH"	66.980151
"124110"	176.048402	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+2Cl"	69.938804
"564401"	246.587902	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+2Cl"	69.938804
"1033564"	105.508902	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2Cl"	69.938804
"1252778"	219.997885	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Br"	78.918885
"1317050"	222.053872	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Cl+HCOOH"	80.974872
"1332723"	244.035829	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Cl+NaCOOH"	102.956829
"920499"	254.064586	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M-H+CF3COOH"	112.985586
"1295751"	290.041264	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Cl+CF3COOH"	148.962264
"1370997"	106.066324	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H-2H2O"	-35.012676
"1387401"	124.0763	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H-H2O"	-17.0027
"294019"	283.165276	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+H"	1.007276
"682794"	424.244276	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+H"	1.007276
"1356955"	142.086276	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H"	1.007276
"130937"	142.086276	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+2H"	2.014552
"567945"	212.625776	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+2H"	2.014552
"1048778"	71.546776	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2H"	2.014552
"211574"	95.0599426666667	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+3H"	3.021828
"652229"	142.086276	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+3H"	3.021828
"1172542"	48.0336093333333	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+3H"	3.021828
"436916"	300.191823	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+NH4"	18.033823
"794629"	441.270823	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+NH4"	18.033823
"1684399"	159.112823	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+NH4"	18.033823
"335957"	150.5995495	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+H+NH4"	19.041099
"727285"	221.1390495	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+H+NH4"	19.041099
"1489855"	80.0600495	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H+NH4"	19.041099
"407076"	305.147218	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+Na"	22.989218
"768928"	446.226218	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+Na"	22.989218
"1613260"	164.068218	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Na"	22.989218
"321111"	153.077247	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+H+Na"	23.996494
"714626"	223.616747	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+H+Na"	23.996494
"1465896"	82.537747	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H+Na"	23.996494
"1058413"	55.3609233333333	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2H+Na"	25.00377
"1264464"	174.112486	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+CH3OH+H"	33.033486
"382671"	321.121158	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+K"	38.963158
"744033"	462.200158	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+K"	38.963158
"1544994"	180.042158	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+K"	38.963158
"302173"	161.064217	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+H+K"	39.970434
"693865"	231.603717	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+H+K"	39.970434
"1456074"	90.524717	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H+K"	39.970434
"245775"	324.191826	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+ACN+H"	42.033826
"1218481"	183.112826	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+ACN+H"	42.033826
"1201270"	92.060051	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+ACN+2H"	43.041102
"196325"	327.12916	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+2Na-H"	44.97116
"635890"	468.20816	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+2Na-H"	44.97116
"1137574"	186.05016	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2Na-H"	44.97116
"183421"	164.068218	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+2Na"	45.978436
"624076"	234.607718	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+2Na"	45.978436
"1129770"	93.528718	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2Na"	45.978436
"1414153"	62.6882373333333	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H+2Na"	46.985712
"1445329"	188.091746	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H+HCOOH"	47.012746
"231459"	169.10124	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+3H2O+2H"	56.04448
"1523855"	202.14379	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+IsoProp+H"	61.06479
"417747"	172.055188	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+Na+K"	61.952376
"776555"	242.594688	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+Na+K"	61.952376
"1669969"	101.515688	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Na+K"	61.952376
"261591"	346.173768	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+ACN+Na"	64.015768
"1232113"	205.094768	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+ACN+Na"	64.015768
"1719905"	205.118293	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+NH4+HCOOH"	64.039293
"1180157"	70.0155513333333	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+3Na"	68.967654
"1652964"	210.073688	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Na+HCOOH"	68.994688
"167482"	359.07704	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+2K-H"	76.91904
"607046"	500.15604	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+2K-H"	76.91904
"1097026"	217.99804	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2K-H"	76.91904
"153843"	180.042158	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"2M+2K"	77.926316
"596564"	250.581658	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"3M+2K"	77.926316
"1082292"	109.502658	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2K"	77.926316
"1112220"	220.012592	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2K+H"	78.933592
"1345325"	220.100207	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+DMSO+H"	79.021207
"1014947"	224.139376	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2ACN+H"	83.060376
"1533071"	225.133008	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+IsoProp+Na+H"	84.054008
"998425"	112.573326	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+2ACN+2H"	84.067652
"1595115"	226.047628	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+K+HCOOH"	84.968628
"1420774"	256.079138	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+H+CF3COOH"	115.000138
"1159816"	133.086601	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+3ACN+2H"	125.094202
"1703898"	273.105685	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+NH4+CF3COOH"	132.026685
"1637362"	278.06108	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+Na+CF3COOH"	136.98208
"1579575"	294.03502	"C07505"	"Ethosuximide"	"C7H11NO2"	"141.079"	"M+K+CF3COOH"	152.95602
"803379"	368.2226	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M"	0
"975821"	349.20421	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-H2O-H"	-19.01839
"64062"	244.474457333333	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M-3H"	-3.021828
"503623"	367.215324	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M-3H"	-3.021828
"880407"	121.733590666667	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-3H"	-3.021828
"2183"	367.215324	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M-2H"	-2.014552
"442838"	551.326624	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M-2H"	-2.014552
"820645"	183.104024	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-2H"	-2.014552
"83919"	735.437924	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M-H"	-1.007276
"530044"	1103.660524	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M-H"	-1.007276
"904570"	367.215324	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-H"	-1.007276
"53473"	752.464471	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M-2H+NH4"	16.019271
"489753"	1120.687071	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M-2H+NH4"	16.019271
"869740"	384.241871	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-2H+NH4"	16.019271
"34360"	757.419866	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M-2H+Na"	20.974666
"473918"	1125.642466	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M-2H+Na"	20.974666
"850625"	389.197266	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-2H+Na"	20.974666
"1623442"	389.197266	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Na-2H"	20.974666
"97783"	385.203663	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M-H+Cl"	33.962126
"539529"	569.314963	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M-H+Cl"	33.962126
"937417"	201.092363	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-H+Cl"	33.962126
"278162"	771.414602	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+Cl"	34.969402
"671674"	1139.637202	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+Cl"	34.969402
"1276424"	403.192002	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Cl"	34.969402
"20074"	773.393806	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M-2H+K"	36.948606
"457689"	1141.616406	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M-2H+K"	36.948606
"834274"	405.171206	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-2H+K"	36.948606
"1559828"	405.171206	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+K-2H"	36.948606
"944433"	413.220794	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-H+HCOOH"	44.998194
"369218"	781.443401	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+HCOOH-H"	44.998201
"358207"	795.459051	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+Hac-H"	59.013851
"1504122"	427.236451	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Hac-H"	59.013851
"972033"	435.202751	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-H+NaCOOH"	66.980151
"122765"	403.192002	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+2Cl"	69.938804
"560864"	587.303302	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+2Cl"	69.938804
"1033309"	219.080702	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2Cl"	69.938804
"1251795"	447.141485	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Br"	78.918885
"1319313"	449.197472	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Cl+HCOOH"	80.974872
"1330281"	471.179429	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Cl+NaCOOH"	102.956829
"920609"	481.208186	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M-H+CF3COOH"	112.985586
"1297319"	517.184864	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Cl+CF3COOH"	148.962264
"1377668"	333.209924	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H-2H2O"	-35.012676
"1388604"	351.2199	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H-H2O"	-17.0027
"294858"	737.452476	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+H"	1.007276
"684362"	1105.675076	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+H"	1.007276
"1357065"	369.229876	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H"	1.007276
"131047"	369.229876	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+2H"	2.014552
"568420"	553.341176	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+2H"	2.014552
"1048888"	185.118576	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2H"	2.014552
"211684"	246.489009333333	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+3H"	3.021828
"652339"	369.229876	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+3H"	3.021828
"1174474"	123.748142666667	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+3H"	3.021828
"438121"	754.479023	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+NH4"	18.033823
"798021"	1122.701623	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+NH4"	18.033823
"1692163"	386.256423	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+NH4"	18.033823
"340440"	377.7431495	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+H+NH4"	19.041099
"729582"	561.8544495	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+H+NH4"	19.041099
"1491547"	193.6318495	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H+NH4"	19.041099
"407676"	759.434418	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+Na"	22.989218
"769158"	1127.657018	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+Na"	22.989218
"1612276"	391.211818	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Na"	22.989218
"322315"	380.220847	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+H+Na"	23.996494
"714735"	564.332147	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+H+Na"	23.996494
"1466371"	196.109547	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H+Na"	23.996494
"1060709"	131.075456666667	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2H+Na"	25.00377
"1261293"	401.256086	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+CH3OH+H"	33.033486
"384240"	775.408358	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+K"	38.963158
"747423"	1143.630958	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+K"	38.963158
"1544011"	407.185758	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+K"	38.963158
"302283"	388.207817	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+H+K"	39.970434
"692516"	572.319117	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+H+K"	39.970434
"1455089"	204.096517	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H+K"	39.970434
"246614"	778.479026	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+ACN+H"	42.033826
"1219684"	410.256426	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+ACN+H"	42.033826
"1201380"	205.631851	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+ACN+2H"	43.041102
"195342"	781.41636	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+2Na-H"	44.97116
"636000"	1149.63896	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+2Na-H"	44.97116
"1137320"	413.19376	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2Na-H"	44.97116
"182802"	391.211818	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+2Na"	45.978436
"625644"	575.323118	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+2Na"	45.978436
"1130244"	207.100518	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2Na"	45.978436
"1413766"	138.402770666667	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H+2Na"	46.985712
"1445456"	415.235346	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H+HCOOH"	47.012746
"231569"	396.24484	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+3H2O+2H"	56.04448
"1522912"	429.28739	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+IsoProp+H"	61.06479
"414577"	399.198788	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+Na+K"	61.952376
"773385"	583.310088	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+Na+K"	61.952376
"1668621"	215.087488	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Na+K"	61.952376
"258421"	800.460968	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+ACN+Na"	64.015768
"1230037"	432.238368	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+ACN+Na"	64.015768
"1716735"	432.261893	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+NH4+HCOOH"	64.039293
"1179903"	145.730084666667	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+3Na"	68.967654
"1653074"	437.217288	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Na+HCOOH"	68.994688
"164313"	813.36424	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+2K-H"	76.91904
"606063"	1181.58684	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+2K-H"	76.91904
"1090575"	445.14164	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2K-H"	76.91904
"148485"	407.185758	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"2M+2K"	77.926316
"590233"	591.297058	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"3M+2K"	77.926316
"1081308"	223.074458	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2K"	77.926316
"1112330"	447.156192	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2K+H"	78.933592
"1344342"	447.243807	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+DMSO+H"	79.021207
"1015056"	451.282976	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2ACN+H"	83.060376
"1530994"	452.276608	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+IsoProp+Na+H"	84.054008
"999628"	226.145126	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+2ACN+2H"	84.067652
"1593038"	453.191228	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+K+HCOOH"	84.968628
"1420884"	483.222738	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+H+CF3COOH"	115.000138
"1159926"	246.658401	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+3ACN+2H"	125.094202
"1704008"	500.249285	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+NH4+CF3COOH"	132.026685
"1636379"	505.20468	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+Na+CF3COOH"	136.98208
"1579685"	521.17862	"C07506"	"Propantheline"	"C23H30NO3"	"368.2226"	"M+K+CF3COOH"	152.95602
"802759"	351.1695	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M"	0
"976295"	332.15111	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-H2O-H"	-19.01839
"64536"	233.105724	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M-3H"	-3.021828
"503528"	350.162224	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M-3H"	-3.021828
"881654"	116.049224	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-3H"	-3.021828
"3387"	350.162224	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M-2H"	-2.014552
"442948"	525.746974	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M-2H"	-2.014552
"820755"	174.577474	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-2H"	-2.014552
"82936"	701.331724	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M-H"	-1.007276
"530154"	1052.501224	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M-H"	-1.007276
"907230"	350.162224	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-H"	-1.007276
"51397"	718.358271	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M-2H+NH4"	16.019271
"490956"	1069.527771	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M-2H+NH4"	16.019271
"870943"	367.188771	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-2H+NH4"	16.019271
"34470"	723.313666	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M-2H+Na"	20.974666
"473299"	1074.483166	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M-2H+Na"	20.974666
"852923"	372.144166	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-2H+Na"	20.974666
"1622458"	372.144166	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Na-2H"	20.974666
"101173"	368.150563	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M-H+Cl"	33.962126
"539639"	543.735313	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M-H+Cl"	33.962126
"940807"	192.565813	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-H+Cl"	33.962126
"279365"	737.308402	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+Cl"	34.969402
"670691"	1088.477902	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+Cl"	34.969402
"1276534"	386.138902	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Cl"	34.969402
"21276"	739.287606	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M-2H+K"	36.948606
"458650"	1090.457106	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M-2H+K"	36.948606
"836450"	388.118106	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-2H+K"	36.948606
"1558844"	388.118106	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+K-2H"	36.948606
"945635"	396.167694	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-H+HCOOH"	44.998194
"369328"	747.337201	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+HCOOH-H"	44.998201
"359046"	761.352851	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+Hac-H"	59.013851
"1504232"	410.183351	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Hac-H"	59.013851
"971779"	418.149651	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-H+NaCOOH"	66.980151
"122872"	386.138902	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+2Cl"	69.938804
"563163"	561.723652	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+2Cl"	69.938804
"1034150"	210.554152	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2Cl"	69.938804
"1251541"	430.088385	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Br"	78.918885
"1316176"	432.144372	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Cl+HCOOH"	80.974872
"1331849"	454.126329	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Cl+NaCOOH"	102.956829
"922907"	464.155086	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M-H+CF3COOH"	112.985586
"1295243"	500.131764	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Cl+CF3COOH"	148.962264
"1373404"	316.156824	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H-2H2O"	-35.012676
"1387621"	334.1668	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H-H2O"	-17.0027
"294238"	703.346276	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+H"	1.007276
"687388"	1054.515776	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+H"	1.007276
"1359727"	352.176776	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H"	1.007276
"130793"	352.176776	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+2H"	2.014552
"567437"	527.761526	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+2H"	2.014552
"1040612"	176.592026	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2H"	2.014552
"204988"	235.120276	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+3H"	3.021828
"650262"	352.176776	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+3H"	3.021828
"1173491"	118.063776	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+3H"	3.021828
"439729"	720.372823	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+NH4"	18.033823
"800316"	1071.542323	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+NH4"	18.033823
"1696282"	369.203323	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+NH4"	18.033823
"340550"	360.6900495	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+H+NH4"	19.041099
"728598"	536.2747995	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+H+NH4"	19.041099
"1491533"	185.1052995	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H+NH4"	19.041099
"402193"	725.328218	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+Na"	22.989218
"769517"	1076.497718	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+Na"	22.989218
"1615666"	374.158718	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Na"	22.989218
"324612"	363.167747	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+H+Na"	23.996494
"718125"	538.752497	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+H+Na"	23.996494
"1469761"	187.582997	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H+Na"	23.996494
"1059725"	125.39109	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2H+Na"	25.00377
"1263590"	384.202986	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+CH3OH+H"	33.033486
"389817"	741.302158	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+K"	38.963158
"750812"	1092.471658	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+K"	38.963158
"1547401"	390.132658	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+K"	38.963158
"301299"	371.154717	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+H+K"	39.970434
"692747"	546.739467	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+H+K"	39.970434
"1449726"	195.569967	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H+K"	39.970434
"245630"	744.372826	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+ACN+H"	42.033826
"1217607"	393.203326	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+ACN+H"	42.033826
"1203676"	197.105301	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+ACN+2H"	43.041102
"195452"	747.31016	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+2Na-H"	44.97116
"639390"	1098.47966	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+2Na-H"	44.97116
"1137430"	396.14066	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2Na-H"	44.97116
"185827"	374.158718	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+2Na"	45.978436
"626847"	549.743468	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+2Na"	45.978436
"1130481"	198.573968	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2Na"	45.978436
"1413272"	132.718404	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H+2Na"	46.985712
"1444175"	398.182246	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H+HCOOH"	47.012746
"233138"	379.19174	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+3H2O+2H"	56.04448
"1523025"	412.23429	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+IsoProp+H"	61.06479
"412500"	382.145688	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+Na+K"	61.952376
"773495"	557.730438	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+Na+K"	61.952376
"1669825"	206.560938	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Na+K"	61.952376
"258531"	766.354768	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+ACN+Na"	64.015768
"1230147"	415.185268	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+ACN+Na"	64.015768
"1716845"	415.208793	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+NH4+HCOOH"	64.039293
"1180013"	140.045718	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+3Na"	68.967654
"1653184"	420.164188	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Na+HCOOH"	68.994688
"164422"	779.25804	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+2K-H"	76.91904
"605078"	1130.42754	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+2K-H"	76.91904
"1091778"	428.08854	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2K-H"	76.91904
"148595"	390.132658	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"2M+2K"	77.926316
"592530"	565.717408	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"3M+2K"	77.926316
"1080690"	214.547908	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2K"	77.926316
"1111347"	430.103092	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2K+H"	78.933592
"1346638"	430.190707	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+DMSO+H"	79.021207
"1012979"	434.229876	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2ACN+H"	83.060376
"1528918"	435.223508	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+IsoProp+Na+H"	84.054008
"998646"	217.618576	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+2ACN+2H"	84.067652
"1596428"	436.138128	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+K+HCOOH"	84.968628
"1418807"	466.169638	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+H+CF3COOH"	115.000138
"1161129"	238.131851	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+3ACN+2H"	125.094202
"1704118"	483.196185	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+NH4+CF3COOH"	132.026685
"1636489"	488.15158	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+Na+CF3COOH"	136.98208
"1579795"	504.12552	"C07508"	"Pirenzepine"	"C19H21N5O2"	"351.1695"	"M+K+CF3COOH"	152.95602
"810164"	101.0477	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M"	0
"974219"	82.02931	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"62892"	66.3578573333333	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"502933"	100.040424	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"880114"	32.6752906666667	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"460"	100.040424	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"441600"	150.564274	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"817336"	49.516574	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"79075"	201.088124	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"529173"	302.135824	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"901505"	100.040424	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"50415"	218.114671	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"489123"	319.162371	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"866804"	117.066971	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"32150"	223.070066	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"472440"	324.117766	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"849999"	122.022366	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1619889"	122.022366	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"95080"	118.028763	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"534568"	168.552613	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"927792"	67.504913	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"268664"	237.064802	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"660716"	338.112502	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1273606"	136.017102	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"16202"	239.044006	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"455959"	340.091706	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"834374"	137.996306	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1555791"	137.996306	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"944654"	146.045894	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"375273"	247.093601	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"359155"	261.109251	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1506903"	160.061551	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"973598"	168.027851	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"124078"	136.017102	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"564616"	186.540952	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1033532"	85.493252	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1252379"	179.966585	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1311181"	182.022572	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1327584"	204.004529	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"919741"	214.033286	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1293168"	250.009964	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1377529"	66.035024	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1396485"	84.045	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"291069"	203.102676	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"683125"	304.150376	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1358381"	102.054976	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"130178"	102.054976	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"574112"	152.578826	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1045098"	51.531126	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"210815"	68.3724093333333	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"659126"	102.054976	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1173968"	34.6898426666667	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"437976"	220.129223	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"797147"	321.176923	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1688010"	119.081523	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"340663"	110.5682495	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"735640"	161.0920995	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1488003"	60.0443995	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"407775"	225.084618	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"763307"	326.132318	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1607032"	124.036918	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"320349"	113.045947	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"710216"	163.569797	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1464036"	62.522097	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1058740"	42.0171566666667	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1265885"	134.081186	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"382274"	241.058558	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"742178"	342.106258	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1542410"	140.010858	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"302503"	121.032917	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"704774"	171.556767	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1456406"	70.509067	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"245739"	244.129226	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1222096"	143.081526	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1208776"	72.044401	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"201767"	247.06656	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"641689"	348.11426	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1138633"	146.01886	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"185576"	124.036918	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"626957"	174.560768	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1129371"	73.513068	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1407427"	49.3444706666667	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1442459"	148.060446	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"235074"	129.06994	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1520579"	162.11249	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"414797"	132.023888	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"776886"	182.547738	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1669937"	81.500038	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"257549"	266.111168	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1228799"	165.063468	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1719145"	165.086993	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1180852"	56.6717846666667	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1660953"	170.042388	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"170003"	279.01444	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"609200"	380.06214	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1097363"	177.96674	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"150895"	140.010858	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"591918"	190.534708	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1078251"	89.487008	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1111826"	179.981292	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1348211"	180.068907	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1016373"	184.108076	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1535593"	185.101708	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"997666"	92.557676	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1597637"	186.016328	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1423295"	216.047838	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1153584"	113.070951	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1704228"	233.074385	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1636599"	238.02978	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1579905"	254.00372	"C07509"	"Diacetylmonoxime;23-Butanedione monoxime"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"814648"	202.2409	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M"	0
"975059"	183.22251	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-H2O-H"	-19.01839
"63175"	133.819990666667	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M-3H"	-3.021828
"502903"	201.233624	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M-3H"	-3.021828
"880063"	66.4063573333333	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-3H"	-3.021828
"1421"	201.233624	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M-2H"	-2.014552
"440860"	302.354074	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M-2H"	-2.014552
"817111"	100.113174	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-2H"	-2.014552
"78724"	403.474524	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M-H"	-1.007276
"529283"	605.715424	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M-H"	-1.007276
"903803"	201.233624	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-H"	-1.007276
"54900"	420.501071	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M-2H+NH4"	16.019271
"488993"	622.741971	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M-2H+NH4"	16.019271
"871168"	218.260171	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-2H+NH4"	16.019271
"32261"	425.456466	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M-2H+Na"	20.974666
"473523"	627.697366	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M-2H+Na"	20.974666
"849095"	223.215566	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-2H+Na"	20.974666
"1618588"	223.215566	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Na-2H"	20.974666
"98117"	219.221963	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M-H+Cl"	33.962126
"534357"	320.342413	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M-H+Cl"	33.962126
"929004"	118.101513	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-H+Cl"	33.962126
"267922"	439.451202	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+Cl"	34.969402
"664354"	641.692102	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+Cl"	34.969402
"1274570"	237.210302	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Cl"	34.969402
"17125"	441.430406	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M-2H+K"	36.948606
"457777"	643.671306	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M-2H+K"	36.948606
"835945"	239.189506	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-2H+K"	36.948606
"1560162"	239.189506	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+K-2H"	36.948606
"945857"	247.239094	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-H+HCOOH"	44.998194
"376811"	449.480001	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+HCOOH-H"	44.998201
"358536"	463.495651	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+Hac-H"	59.013851
"1507008"	261.254751	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Hac-H"	59.013851
"973746"	269.221051	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-H+NaCOOH"	66.980151
"122731"	237.210302	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+2Cl"	69.938804
"564116"	338.330752	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+2Cl"	69.938804
"1036320"	136.089852	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2Cl"	69.938804
"1251031"	281.159785	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Br"	78.918885
"1309107"	283.215772	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Cl+HCOOH"	80.974872
"1326606"	305.197729	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Cl+NaCOOH"	102.956829
"917666"	315.226486	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M-H+CF3COOH"	112.985586
"1299841"	351.203164	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Cl+CF3COOH"	148.962264
"1379463"	167.228224	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H-2H2O"	-35.012676
"1395502"	185.2382	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H-H2O"	-17.0027
"291179"	405.489076	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+H"	1.007276
"681779"	607.729976	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+H"	1.007276
"1358492"	203.248176	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H"	1.007276
"129924"	203.248176	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+2H"	2.014552
"576775"	304.368626	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+2H"	2.014552
"1043022"	102.127726	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2H"	2.014552
"209832"	135.834542666667	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+3H"	3.021828
"653766"	203.248176	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+3H"	3.021828
"1170797"	68.4209093333333	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+3H"	3.021828
"436265"	422.515623	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+NH4"	18.033823
"793979"	624.756523	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+NH4"	18.033823
"1687027"	220.274723	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+NH4"	18.033823
"338589"	211.7614495	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+H+NH4"	19.041099
"733196"	312.8818995	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+H+NH4"	19.041099
"1484830"	110.6409995	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H+NH4"	19.041099
"402414"	427.471018	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+Na"	22.989218
"764510"	629.711918	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+Na"	22.989218
"1611517"	225.230118	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Na"	22.989218
"323740"	214.239147	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+H+Na"	23.996494
"709962"	315.359597	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+H+Na"	23.996494
"1466700"	113.118697	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H+Na"	23.996494
"1057759"	75.7482233333333	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2H+Na"	25.00377
"1262719"	235.274386	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+CH3OH+H"	33.033486
"383481"	443.444958	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+K"	38.963158
"743382"	645.685858	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+K"	38.963158
"1542520"	241.204058	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+K"	38.963158
"301520"	222.226117	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+H+K"	39.970434
"696129"	323.346567	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+H+K"	39.970434
"1458702"	121.105667	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H+K"	39.970434
"246942"	446.515626	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+ACN+H"	42.033826
"1222203"	244.274726	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+ACN+H"	42.033826
"1208275"	122.641001	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+ACN+2H"	43.041102
"200051"	449.45296	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+2Na-H"	44.97116
"641799"	651.69386	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+2Na-H"	44.97116
"1136919"	247.21206	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2Na-H"	44.97116
"182040"	225.230118	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+2Na"	45.978436
"625974"	326.350568	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+2Na"	45.978436
"1128387"	124.109668	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2Na"	45.978436
"1409724"	83.0755373333333	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H+2Na"	46.985712
"1438922"	249.253646	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H+HCOOH"	47.012746
"233720"	230.26314	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+3H2O+2H"	56.04448
"1514492"	263.30569	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+IsoProp+H"	61.06479
"413449"	233.217088	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+Na+K"	61.952376
"774444"	334.337538	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+Na+K"	61.952376
"1671141"	132.096638	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Na+K"	61.952376
"257659"	468.497568	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+ACN+Na"	64.015768
"1228545"	266.256668	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+ACN+Na"	64.015768
"1724723"	266.280193	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+NH4+HCOOH"	64.039293
"1187890"	90.4028513333333	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+3Na"	68.967654
"1661063"	271.235588	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Na+HCOOH"	68.994688
"171937"	481.40084	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+2K-H"	76.91904
"610774"	683.64174	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+2K-H"	76.91904
"1097839"	279.15994	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2K-H"	76.91904
"154653"	241.204058	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"2M+2K"	77.926316
"594211"	342.324508	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"3M+2K"	77.926316
"1079452"	140.083608	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2K"	77.926316
"1114126"	281.174492	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2K+H"	78.933592
"1349783"	281.262107	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+DMSO+H"	79.021207
"1020137"	285.301276	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2ACN+H"	83.060376
"1536797"	286.294908	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+IsoProp+Na+H"	84.054008
"999964"	143.154276	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+2ACN+2H"	84.067652
"1597749"	287.209528	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+K+HCOOH"	84.968628
"1425594"	317.241038	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+H+CF3COOH"	115.000138
"1153694"	163.667551	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+3ACN+2H"	125.094202
"1704338"	334.267585	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+NH4+CF3COOH"	132.026685
"1637802"	339.22298	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+Na+CF3COOH"	136.98208
"1580015"	355.19692	"C07510"	"Hexamethonium"	"C12H30N2"	"202.2409"	"M+K+CF3COOH"	152.95602
"815123"	167.1674	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M"	0
"983917"	148.14901	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-H2O-H"	-19.01839
"69971"	110.437657333333	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M-3H"	-3.021828
"504062"	166.160124	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M-3H"	-3.021828
"881131"	54.7151906666667	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-3H"	-3.021828
"190"	166.160124	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M-2H"	-2.014552
"440319"	249.743824	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M-2H"	-2.014552
"817266"	82.576424	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-2H"	-2.014552
"78634"	333.327524	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M-H"	-1.007276
"528300"	500.494924	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M-H"	-1.007276
"902822"	166.160124	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-H"	-1.007276
"59384"	350.354071	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M-2H+NH4"	16.019271
"490196"	517.521471	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M-2H+NH4"	16.019271
"864834"	183.186671	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-2H+NH4"	16.019271
"32127"	355.309466	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M-2H+Na"	20.974666
"473391"	522.476866	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M-2H+Na"	20.974666
"848512"	188.142066	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-2H+Na"	20.974666
"1619511"	188.142066	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Na-2H"	20.974666
"95189"	184.148463	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M-H+Cl"	33.962126
"534372"	267.732163	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M-H+Cl"	33.962126
"928142"	100.564763	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-H+Cl"	33.962126
"267464"	369.304202	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+Cl"	34.969402
"660247"	536.471602	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+Cl"	34.969402
"1273829"	202.136802	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Cl"	34.969402
"15726"	371.283406	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M-2H+K"	36.948606
"456184"	538.450806	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M-2H+K"	36.948606
"834598"	204.116006	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-2H+K"	36.948606
"1558085"	204.116006	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+K-2H"	36.948606
"949249"	212.165594	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-H+HCOOH"	44.998194
"376714"	379.333001	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+HCOOH-H"	44.998201
"355730"	393.348651	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+Hac-H"	59.013851
"1506024"	226.181251	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Hac-H"	59.013851
"973081"	234.147551	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-H+NaCOOH"	66.980151
"122474"	202.136802	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+2Cl"	69.938804
"564225"	285.720502	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+2Cl"	69.938804
"1033752"	118.553102	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2Cl"	69.938804
"1248957"	246.086285	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Br"	78.918885
"1310310"	248.142272	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Cl+HCOOH"	80.974872
"1324528"	270.124229	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Cl+NaCOOH"	102.956829
"915587"	280.152986	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M-H+CF3COOH"	112.985586
"1294481"	316.129664	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Cl+CF3COOH"	148.962264
"1373739"	132.154724	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H-2H2O"	-35.012676
"1395612"	150.1647	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H-H2O"	-17.0027
"294569"	335.342076	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+H"	1.007276
"682252"	502.509476	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+H"	1.007276
"1355322"	168.174676	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H"	1.007276
"130397"	168.174676	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+2H"	2.014552
"567769"	251.758376	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+2H"	2.014552
"1043132"	84.590976	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2H"	2.014552
"208849"	112.452209333333	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+3H"	3.021828
"657159"	168.174676	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+3H"	3.021828
"1170907"	56.7297426666667	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+3H"	3.021828
"438441"	352.368623	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+NH4"	18.033823
"792996"	519.536023	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+NH4"	18.033823
"1687137"	185.201223	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+NH4"	18.033823
"338699"	176.6879495	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+H+NH4"	19.041099
"734399"	260.2716495	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+H+NH4"	19.041099
"1485304"	93.1042495	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H+NH4"	19.041099
"402524"	357.324018	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+Na"	22.989218
"764621"	524.491418	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+Na"	22.989218
"1611627"	190.156618	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Na"	22.989218
"321664"	179.165647	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+H+Na"	23.996494
"710072"	262.749347	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+H+Na"	23.996494
"1463528"	95.581947	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H+Na"	23.996494
"1054224"	64.0570566666667	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2H+Na"	25.00377
"1262829"	200.200886	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+CH3OH+H"	33.033486
"378488"	373.297958	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+K"	38.963158
"742398"	540.465358	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+K"	38.963158
"1541172"	206.130558	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+K"	38.963158
"300537"	187.152617	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+H+K"	39.970434
"700614"	270.736317	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+H+K"	39.970434
"1459905"	103.568917	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H+K"	39.970434
"245229"	376.368626	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+ACN+H"	42.033826
"1221219"	209.201226	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+ACN+H"	42.033826
"1206926"	105.104251	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+ACN+2H"	43.041102
"200161"	379.30596	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+2Na-H"	44.97116
"641909"	546.47336	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+2Na-H"	44.97116
"1136665"	212.13856	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2Na-H"	44.97116
"179963"	190.156618	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+2Na"	45.978436
"623897"	273.740318	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+2Na"	45.978436
"1123029"	106.572918	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2Na"	45.978436
"1405460"	71.3843706666667	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H+2Na"	46.985712
"1437575"	214.180146	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H+HCOOH"	47.012746
"232736"	195.18964	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+3H2O+2H"	56.04448
"1514238"	228.23219	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+IsoProp+H"	61.06479
"415016"	198.143588	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+Na+K"	61.952376
"770300"	281.727288	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+Na+K"	61.952376
"1668699"	114.559888	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Na+K"	61.952376
"259957"	398.350568	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+ACN+Na"	64.015768
"1234123"	231.183168	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+ACN+Na"	64.015768
"1724834"	231.206693	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+NH4+HCOOH"	64.039293
"1186177"	78.7116846666667	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+3Na"	68.967654
"1660080"	236.162088	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Na+HCOOH"	68.994688
"170589"	411.25384	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+2K-H"	76.91904
"607966"	578.42124	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+2K-H"	76.91904
"1095759"	244.08644	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2K-H"	76.91904
"151115"	206.130558	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"2M+2K"	77.926316
"588488"	289.714258	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"3M+2K"	77.926316
"1078469"	122.546858	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2K"	77.926316
"1109492"	246.100992	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2K+H"	78.933592
"1349892"	246.188607	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+DMSO+H"	79.021207
"1021096"	250.227776	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2ACN+H"	83.060376
"1539428"	251.221408	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+IsoProp+Na+H"	84.054008
"1005060"	125.617526	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+2ACN+2H"	84.067652
"1601505"	252.136028	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+K+HCOOH"	84.968628
"1429231"	282.167538	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+H+CF3COOH"	115.000138
"1161460"	146.130801	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+3ACN+2H"	125.094202
"1712104"	299.194085	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+NH4+CF3COOH"	132.026685
"1645567"	304.14948	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+Na+CF3COOH"	136.98208
"1580125"	320.12342	"C07511"	"Mecamylamine;Versamine"	"C11H21N"	"167.1674"	"M+K+CF3COOH"	152.95602
"812680"	130.1596	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M"	0
"984025"	111.14121	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-H2O-H"	-19.01839
"70081"	85.7657906666667	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M-3H"	-3.021828
"503806"	129.152324	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M-3H"	-3.021828
"881118"	42.3792573333333	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-3H"	-3.021828
"425"	129.152324	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M-2H"	-2.014552
"440472"	194.232124	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M-2H"	-2.014552
"817783"	64.072524	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-2H"	-2.014552
"79355"	259.311924	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M-H"	-1.007276
"528410"	389.471524	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M-H"	-1.007276
"902932"	129.152324	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-H"	-1.007276
"59494"	276.338471	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M-2H+NH4"	16.019271
"490306"	406.498071	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M-2H+NH4"	16.019271
"865067"	146.178871	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-2H+NH4"	16.019271
"32237"	281.293866	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M-2H+Na"	20.974666
"471509"	411.453466	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M-2H+Na"	20.974666
"848785"	151.134266	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-2H+Na"	20.974666
"1619621"	151.134266	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Na-2H"	20.974666
"95299"	147.140663	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M-H+Cl"	33.962126
"534531"	212.220463	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M-H+Cl"	33.962126
"929224"	82.060863	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-H+Cl"	33.962126
"268874"	295.288602	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+Cl"	34.969402
"660280"	425.448202	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+Cl"	34.969402
"1274182"	165.129002	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Cl"	34.969402
"16246"	297.267806	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M-2H+K"	36.948606
"456903"	427.427406	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M-2H+K"	36.948606
"834708"	167.108206	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-2H+K"	36.948606
"1561476"	167.108206	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+K-2H"	36.948606
"949359"	175.157794	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-H+HCOOH"	44.998194
"376700"	305.317401	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+HCOOH-H"	44.998201
"359120"	319.333051	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+Hac-H"	59.013851
"1507227"	189.173451	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Hac-H"	59.013851
"972583"	197.139751	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-H+NaCOOH"	66.980151
"123312"	165.129002	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+2Cl"	69.938804
"563605"	230.208802	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+2Cl"	69.938804
"1033498"	100.049202	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2Cl"	69.938804
"1246515"	209.078485	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Br"	78.918885
"1310420"	211.134472	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Cl+HCOOH"	80.974872
"1325730"	233.116429	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Cl+NaCOOH"	102.956829
"918977"	243.145186	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M-H+CF3COOH"	112.985586
"1294591"	279.121864	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Cl+CF3COOH"	148.962264
"1377128"	95.146924	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H-2H2O"	-35.012676
"1390250"	113.1569	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H-H2O"	-17.0027
"297841"	261.326476	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+H"	1.007276
"685642"	391.486076	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+H"	1.007276
"1355432"	131.166876	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H"	1.007276
"132692"	131.166876	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+2H"	2.014552
"568972"	196.246676	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+2H"	2.014552
"1043240"	66.087076	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2H"	2.014552
"210052"	87.7803426666667	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+3H"	3.021828
"653988"	131.166876	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+3H"	3.021828
"1164699"	44.3938093333333	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+3H"	3.021828
"437703"	278.353023	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+NH4"	18.033823
"792012"	408.512623	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+NH4"	18.033823
"1688340"	148.193423	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+NH4"	18.033823
"339902"	139.6801495	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+H+NH4"	19.041099
"730135"	204.7599495	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+H+NH4"	19.041099
"1486141"	74.6003495	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H+NH4"	19.041099
"402634"	283.308418	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+Na"	22.989218
"768617"	413.468018	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+Na"	22.989218
"1609550"	153.148818	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Na"	22.989218
"322867"	142.157847	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+H+Na"	23.996494
"710182"	207.237647	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+H+Na"	23.996494
"1462909"	77.078047	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H+Na"	23.996494
"1056886"	51.7211233333333	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2H+Na"	25.00377
"1258563"	163.193086	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+CH3OH+H"	33.033486
"378598"	299.282358	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+K"	38.963158
"743601"	429.441958	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+K"	38.963158
"1542374"	169.122758	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+K"	38.963158
"302832"	150.144817	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+H+K"	39.970434
"697437"	215.224617	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+H+K"	39.970434
"1456733"	85.065017	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H+K"	39.970434
"248986"	302.353026	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+ACN+H"	42.033826
"1220235"	172.193426	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+ACN+H"	42.033826
"1207036"	86.600351	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+ACN+2H"	43.041102
"200271"	305.29036	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+2Na-H"	44.97116
"641655"	435.44996	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+2Na-H"	44.97116
"1137503"	175.13076	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2Na-H"	44.97116
"178979"	153.148818	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+2Na"	45.978436
"622913"	218.228618	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+2Na"	45.978436
"1124232"	88.069018	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2Na"	45.978436
"1407756"	59.0484373333333	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H+2Na"	46.985712
"1438778"	177.172346	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H+HCOOH"	47.012746
"232846"	158.18184	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+3H2O+2H"	56.04448
"1514348"	191.22439	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+IsoProp+H"	61.06479
"414397"	161.135788	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+Na+K"	61.952376
"770652"	226.215588	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+Na+K"	61.952376
"1670266"	96.055988	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Na+K"	61.952376
"260067"	324.334968	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+ACN+Na"	64.015768
"1234962"	194.175368	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+ACN+Na"	64.015768
"1722758"	194.198893	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+NH4+HCOOH"	64.039293
"1186287"	66.3757513333333	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+3Na"	68.967654
"1660190"	199.154288	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Na+HCOOH"	68.994688
"168148"	337.23824	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+2K-H"	76.91904
"608076"	467.39784	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+2K-H"	76.91904
"1095869"	207.07864	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2K-H"	76.91904
"151225"	169.122758	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"2M+2K"	77.926316
"588598"	234.202558	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"3M+2K"	77.926316
"1078944"	104.042958	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2K"	77.926316
"1108145"	209.093192	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2K+H"	78.933592
"1350366"	209.180807	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+DMSO+H"	79.021207
"1019988"	213.219976	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2ACN+H"	83.060376
"1539452"	214.213608	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+IsoProp+Na+H"	84.054008
"1005295"	107.113626	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+2ACN+2H"	84.067652
"1600886"	215.128228	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+K+HCOOH"	84.968628
"1429221"	245.159738	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+H+CF3COOH"	115.000138
"1160477"	127.626901	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+3ACN+2H"	125.094202
"1712214"	262.186285	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+NH4+CF3COOH"	132.026685
"1645677"	267.14168	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+Na+CF3COOH"	136.98208
"1580235"	283.11562	"C07512"	"Tetraethylammonium"	"C8H20N"	"130.1596"	"M+K+CF3COOH"	152.95602
"813883"	211.1208	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M"	0
"986325"	192.10241	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-H2O-H"	-19.01839
"73474"	139.739924	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M-3H"	-3.021828
"504284"	210.113524	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M-3H"	-3.021828
"883181"	69.366324	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-3H"	-3.021828
"2850"	210.113524	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M-2H"	-2.014552
"440042"	315.673924	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M-2H"	-2.014552
"817116"	104.553124	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-2H"	-2.014552
"86768"	421.234324	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M-H"	-1.007276
"529613"	632.355124	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M-H"	-1.007276
"904136"	210.113524	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-H"	-1.007276
"58511"	438.260871	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M-2H+NH4"	16.019271
"491509"	649.381671	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M-2H+NH4"	16.019271
"870403"	227.140071	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-2H+NH4"	16.019271
"39396"	443.216266	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M-2H+Na"	20.974666
"477862"	654.337066	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M-2H+Na"	20.974666
"855663"	232.095466	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-2H+Na"	20.974666
"1625199"	232.095466	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Na-2H"	20.974666
"100634"	228.101863	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M-H+Cl"	33.962126
"539101"	333.662263	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M-H+Cl"	33.962126
"931521"	122.541463	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-H+Cl"	33.962126
"273358"	457.211002	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+Cl"	34.969402
"661769"	668.331802	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+Cl"	34.969402
"1275992"	246.090202	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Cl"	34.969402
"17334"	459.190206	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M-2H+K"	36.948606
"458231"	670.311006	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M-2H+K"	36.948606
"836639"	248.069406	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-2H+K"	36.948606
"1562679"	248.069406	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+K-2H"	36.948606
"949469"	256.118994	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-H+HCOOH"	44.998194
"376451"	467.239801	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+HCOOH-H"	44.998201
"357773"	481.255451	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+Hac-H"	59.013851
"1505880"	270.134651	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Hac-H"	59.013851
"971599"	278.100951	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-H+NaCOOH"	66.980151
"123791"	246.090202	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+2Cl"	69.938804
"564321"	351.650602	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+2Cl"	69.938804
"1036650"	140.529802	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2Cl"	69.938804
"1250277"	290.039685	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Br"	78.918885
"1318553"	292.095672	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Cl+HCOOH"	80.974872
"1330216"	314.077629	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Cl+NaCOOH"	102.956829
"924556"	324.106386	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M-H+CF3COOH"	112.985586
"1300901"	360.083064	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Cl+CF3COOH"	148.962264
"1379425"	176.108124	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H-2H2O"	-35.012676
"1392548"	194.1181	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H-H2O"	-17.0027
"290049"	423.248876	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+H"	1.007276
"685752"	634.369676	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+H"	1.007276
"1355542"	212.128076	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H"	1.007276
"132802"	212.128076	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+2H"	2.014552
"570176"	317.688476	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+2H"	2.014552
"1043350"	106.567676	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2H"	2.014552
"211254"	141.754476	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+3H"	3.021828
"653004"	212.128076	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+3H"	3.021828
"1164567"	71.380876	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+3H"	3.021828
"438543"	440.275423	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+NH4"	18.033823
"797591"	651.396223	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+NH4"	18.033823
"1690640"	229.154623	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+NH4"	18.033823
"341106"	220.6413495	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+H+NH4"	19.041099
"733525"	326.2017495	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+H+NH4"	19.041099
"1486251"	115.0809495	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H+NH4"	19.041099
"402744"	445.230818	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+Na"	22.989218
"769810"	656.351618	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+Na"	22.989218
"1614033"	234.110018	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Na"	22.989218
"324070"	223.119047	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+H+Na"	23.996494
"712118"	328.679447	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+H+Na"	23.996494
"1465938"	117.558647	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H+Na"	23.996494
"1066594"	78.70819	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2H+Na"	25.00377
"1264143"	244.154286	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+CH3OH+H"	33.033486
"385998"	461.204758	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+K"	38.963158
"744805"	672.325558	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+K"	38.963158
"1543214"	250.083958	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+K"	38.963158
"304035"	231.106017	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+H+K"	39.970434
"697547"	336.666417	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+H+K"	39.970434
"1451374"	125.545617	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H+K"	39.970434
"247272"	464.275426	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+ACN+H"	42.033826
"1220346"	253.154626	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+ACN+H"	42.033826
"1204959"	127.080951	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+ACN+2H"	43.041102
"197101"	467.21276	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+2Na-H"	44.97116
"637754"	678.33356	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+2Na-H"	44.97116
"1137613"	256.09196	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2Na-H"	44.97116
"183465"	234.110018	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+2Na"	45.978436
"623026"	339.670418	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+2Na"	45.978436
"1125437"	128.549618	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2Na"	45.978436
"1411876"	86.035504	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H+2Na"	46.985712
"1441075"	258.133546	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H+HCOOH"	47.012746
"231499"	239.14304	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+3H2O+2H"	56.04448
"1514458"	272.18559	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+IsoProp+H"	61.06479
"416330"	242.096988	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+Na+K"	61.952376
"772952"	347.657388	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+Na+K"	61.952376
"1674752"	136.536588	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Na+K"	61.952376
"263457"	486.257368	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+ACN+Na"	64.015768
"1238353"	275.136568	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+ACN+Na"	64.015768
"1725056"	275.160093	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+NH4+HCOOH"	64.039293
"1186397"	93.362818	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+3Na"	68.967654
"1660300"	280.115488	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Na+HCOOH"	68.994688
"167892"	499.16064	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+2K-H"	76.91904
"610375"	710.28144	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+2K-H"	76.91904
"1093063"	288.03984	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2K-H"	76.91904
"152431"	250.083958	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"2M+2K"	77.926316
"585428"	355.644358	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"3M+2K"	77.926316
"1076500"	144.523558	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2K"	77.926316
"1108619"	290.054392	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2K+H"	78.933592
"1349625"	290.142007	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+DMSO+H"	79.021207
"1019369"	294.181176	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2ACN+H"	83.060376
"1539321"	295.174808	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+IsoProp+Na+H"	84.054008
"1004919"	147.594226	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+2ACN+2H"	84.067652
"1601605"	296.089428	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+K+HCOOH"	84.968628
"1429207"	326.120938	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+H+CF3COOH"	115.000138
"1157306"	168.107501	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+3ACN+2H"	125.094202
"1707949"	343.147485	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+NH4+CF3COOH"	132.026685
"1645787"	348.10288	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+Na+CF3COOH"	136.98208
"1580345"	364.07682	"C07513"	"Methoxamine"	"C11H17NO3"	"211.1208"	"M+K+CF3COOH"	152.95602
"807432"	135.1048	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M"	0
"980964"	116.08641	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-H2O-H"	-19.01839
"76862"	89.0625906666667	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M-3H"	-3.021828
"510955"	134.097524	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M-3H"	-3.021828
"892040"	44.0276573333333	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-3H"	-3.021828
"6239"	134.097524	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M-2H"	-2.014552
"441427"	201.649924	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M-2H"	-2.014552
"824698"	66.545124	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-2H"	-2.014552
"85785"	269.202324	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M-H"	-1.007276
"529724"	404.307124	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M-H"	-1.007276
"906432"	134.097524	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-H"	-1.007276
"54247"	286.228871	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M-2H+NH4"	16.019271
"491619"	421.333671	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M-2H+NH4"	16.019271
"869420"	151.124071	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-2H+NH4"	16.019271
"39506"	291.184266	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M-2H+Na"	20.974666
"483439"	426.289066	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M-2H+Na"	20.974666
"857960"	156.079466	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-2H+Na"	20.974666
"1626402"	156.079466	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Na-2H"	20.974666
"102930"	152.085863	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M-H+Cl"	33.962126
"540304"	219.638263	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M-H+Cl"	33.962126
"934910"	84.533463	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-H+Cl"	33.962126
"275653"	305.179002	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+Cl"	34.969402
"664796"	440.283802	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+Cl"	34.969402
"1277560"	170.074202	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Cl"	34.969402
"19752"	307.158206	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M-2H+K"	36.948606
"461502"	442.263006	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M-2H+K"	36.948606
"837115"	172.053406	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-2H+K"	36.948606
"1561697"	172.053406	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+K-2H"	36.948606
"947756"	180.102994	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-H+HCOOH"	44.998194
"376556"	315.207801	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+HCOOH-H"	44.998201
"358495"	329.223451	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+Hac-H"	59.013851
"1506355"	194.118651	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Hac-H"	59.013851
"971345"	202.084951	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-H+NaCOOH"	66.980151
"122435"	170.074202	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+2Cl"	69.938804
"563832"	237.626602	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+2Cl"	69.938804
"1032996"	102.521802	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2Cl"	69.938804
"1254761"	214.023685	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Br"	78.918885
"1319275"	216.079672	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Cl+HCOOH"	80.974872
"1333975"	238.061629	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Cl+NaCOOH"	102.956829
"924305"	248.090386	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M-H+CF3COOH"	112.985586
"1299188"	284.067064	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Cl+CF3COOH"	148.962264
"1380263"	100.092124	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H-2H2O"	-35.012676
"1394115"	118.1021	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H-H2O"	-17.0027
"297084"	271.216876	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+H"	1.007276
"688777"	406.321676	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+H"	1.007276
"1364036"	136.112076	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H"	1.007276
"139111"	136.112076	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+2H"	2.014552
"576848"	203.664476	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+2H"	2.014552
"1039449"	68.559676	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2H"	2.014552
"206986"	91.0771426666667	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+3H"	3.021828
"650920"	136.112076	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+3H"	3.021828
"1165037"	46.0422093333333	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+3H"	3.021828
"438526"	288.243423	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+NH4"	18.033823
"797697"	423.348223	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+NH4"	18.033823
"1695484"	153.138623	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+NH4"	18.033823
"341210"	144.6253495	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+H+NH4"	19.041099
"731445"	212.1777495	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+H+NH4"	19.041099
"1480891"	77.0729495	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H+NH4"	19.041099
"398476"	293.198818	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+Na"	22.989218
"758379"	428.303618	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+Na"	22.989218
"1616690"	158.094018	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Na"	22.989218
"329403"	147.103047	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+H+Na"	23.996494
"720243"	214.655447	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+H+Na"	23.996494
"1474798"	79.550647	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H+Na"	23.996494
"1067434"	53.3695233333333	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2H+Na"	25.00377
"1267533"	168.138286	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+CH3OH+H"	33.033486
"389388"	309.172758	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+K"	38.963158
"748195"	444.277558	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+K"	38.963158
"1545876"	174.067958	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+K"	38.963158
"309612"	155.090017	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+H+K"	39.970434
"703124"	222.642417	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+H+K"	39.970434
"1450391"	87.537617	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H+K"	39.970434
"246653"	312.243426	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+ACN+H"	42.033826
"1220456"	177.138626	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+ACN+H"	42.033826
"1205069"	89.072951	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+ACN+2H"	43.041102
"197211"	315.18076	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+2Na-H"	44.97116
"637864"	450.28556	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+2Na-H"	44.97116
"1138088"	180.07596	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2Na-H"	44.97116
"183575"	158.094018	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+2Na"	45.978436
"621678"	225.646418	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+2Na"	45.978436
"1125548"	90.541618	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2Na"	45.978436
"1410892"	60.6968373333333	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H+2Na"	46.985712
"1441185"	182.117546	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H+HCOOH"	47.012746
"228693"	163.12704	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+3H2O+2H"	56.04448
"1513109"	196.16959	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+IsoProp+H"	61.06479
"416440"	166.080988	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+Na+K"	61.952376
"774885"	233.633388	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+Na+K"	61.952376
"1673039"	98.528588	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Na+K"	61.952376
"262473"	334.225368	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+ACN+Na"	64.015768
"1236277"	199.120568	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+ACN+Na"	64.015768
"1721154"	199.144093	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+NH4+HCOOH"	64.039293
"1181404"	68.0241513333333	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+3Na"	68.967654
"1655671"	204.099488	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Na+HCOOH"	68.994688
"163263"	347.12864	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+2K-H"	76.91904
"605745"	482.23344	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+2K-H"	76.91904
"1090257"	212.02384	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2K-H"	76.91904
"144888"	174.067958	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"2M+2K"	77.926316
"582255"	241.620358	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"3M+2K"	77.926316
"1069320"	106.515558	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2K"	77.926316
"1109822"	214.038392	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2K+H"	78.933592
"1345846"	214.126007	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+DMSO+H"	79.021207
"1017657"	218.165176	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2ACN+H"	83.060376
"1537240"	219.158808	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+IsoProp+Na+H"	84.054008
"1003324"	109.586226	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+2ACN+2H"	84.067652
"1601106"	220.073428	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+K+HCOOH"	84.968628
"1427128"	250.104938	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+H+CF3COOH"	115.000138
"1159602"	130.099501	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+3ACN+2H"	125.094202
"1708059"	267.131485	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+NH4+CF3COOH"	132.026685
"1645897"	272.08688	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+Na+CF3COOH"	136.98208
"1580455"	288.06082	"C07514"	"Amphetamine"	"C9H13N"	"135.1048"	"M+K+CF3COOH"	152.95602
"810823"	195.8902	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M"	0
"984354"	176.87181	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-H2O-H"	-19.01839
"78065"	129.586190666667	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M-3H"	-3.021828
"512158"	194.882924	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M-3H"	-3.021828
"888869"	64.2894573333333	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-3H"	-3.021828
"7444"	194.882924	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M-2H"	-2.014552
"443725"	292.828024	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M-2H"	-2.014552
"821529"	96.937824	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-2H"	-2.014552
"86988"	390.773124	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M-H"	-1.007276
"528740"	586.663324	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M-H"	-1.007276
"904355"	194.882924	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-H"	-1.007276
"54357"	407.799671	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M-2H+NH4"	16.019271
"492822"	603.689871	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M-2H+NH4"	16.019271
"869530"	211.909471	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-2H+NH4"	16.019271
"39616"	412.755066	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M-2H+Na"	20.974666
"482456"	608.645266	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M-2H+Na"	20.974666
"862079"	216.864866	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-2H+Na"	20.974666
"1624325"	216.864866	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Na-2H"	20.974666
"101947"	212.871263	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M-H+Cl"	33.962126
"539320"	310.816363	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M-H+Cl"	33.962126
"932833"	114.926163	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-H+Cl"	33.962126
"273575"	426.749802	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+Cl"	34.969402
"664903"	622.640002	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+Cl"	34.969402
"1278400"	230.859602	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Cl"	34.969402
"17919"	428.729006	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M-2H+K"	36.948606
"457358"	624.619206	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M-2H+K"	36.948606
"835765"	232.838806	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-2H+K"	36.948606
"1558038"	232.838806	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+K-2H"	36.948606
"945314"	240.888394	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-H+HCOOH"	44.998194
"373746"	436.778601	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+HCOOH-H"	44.998201
"360062"	450.794251	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+Hac-H"	59.013851
"1507193"	254.904051	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Hac-H"	59.013851
"971453"	262.870351	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-H+NaCOOH"	66.980151
"122181"	230.859602	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+2Cl"	69.938804
"563567"	328.804702	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+2Cl"	69.938804
"1035660"	132.914502	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2Cl"	69.938804
"1255964"	274.809085	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Br"	78.918885
"1318650"	276.865072	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Cl+HCOOH"	80.974872
"1335178"	298.847029	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Cl+NaCOOH"	102.956829
"926601"	308.875786	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M-H+CF3COOH"	112.985586
"1299298"	344.852464	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Cl+CF3COOH"	148.962264
"1378187"	160.877524	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H-2H2O"	-35.012676
"1394225"	178.8875	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H-H2O"	-17.0027
"292452"	392.787676	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+H"	1.007276
"688887"	588.677876	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+H"	1.007276
"1359042"	196.897476	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H"	1.007276
"137034"	196.897476	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+2H"	2.014552
"573677"	294.842576	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+2H"	2.014552
"1039922"	98.952376	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2H"	2.014552
"206123"	131.600742666667	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+3H"	3.021828
"645927"	196.897476	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+3H"	3.021828
"1164538"	66.3040093333333	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+3H"	3.021828
"437543"	409.814223	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+NH4"	18.033823
"797806"	605.704423	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+NH4"	18.033823
"1693043"	213.924023	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+NH4"	18.033823
"340227"	205.4107495	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+H+NH4"	19.041099
"729004"	303.3558495	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+H+NH4"	19.041099
"1483189"	107.4656495	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H+NH4"	19.041099
"402961"	414.769618	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+Na"	22.989218
"758853"	610.659818	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+Na"	22.989218
"1617528"	218.879418	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Na"	22.989218
"329677"	207.888447	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+H+Na"	23.996494
"721081"	305.833547	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+H+Na"	23.996494
"1471629"	109.943347	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H+Na"	23.996494
"1065601"	73.6313233333333	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2H+Na"	25.00377
"1266551"	228.923686	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+CH3OH+H"	33.033486
"386220"	430.743558	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+K"	38.963158
"746119"	626.633758	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+K"	38.963158
"1543800"	234.853358	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+K"	38.963158
"307536"	215.875417	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+H+K"	39.970434
"701048"	313.820517	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+H+K"	39.970434
"1450501"	117.930317	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H+K"	39.970434
"247128"	433.814226	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+ACN+H"	42.033826
"1223482"	237.924026	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+ACN+H"	42.033826
"1204815"	119.465651	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+ACN+2H"	43.041102
"198414"	436.75156	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+2Na-H"	44.97116
"637610"	632.64176	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+2Na-H"	44.97116
"1139291"	240.86136	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2Na-H"	44.97116
"181499"	218.879418	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+2Na"	45.978436
"622151"	316.824518	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+2Na"	45.978436
"1124564"	120.934318	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2Na"	45.978436
"1409179"	80.9586373333333	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H+2Na"	46.985712
"1441295"	242.902946	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H+HCOOH"	47.012746
"228803"	223.91244	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+3H2O+2H"	56.04448
"1513583"	256.95499	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+IsoProp+H"	61.06479
"415456"	226.866388	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+Na+K"	61.952376
"774995"	324.811488	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+Na+K"	61.952376
"1674242"	128.921288	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Na+K"	61.952376
"264770"	455.796168	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+ACN+Na"	64.015768
"1235293"	259.905968	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+ACN+Na"	64.015768
"1723087"	259.929493	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+NH4+HCOOH"	64.039293
"1183336"	88.2859513333333	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+3Na"	68.967654
"1658333"	264.884888	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Na+HCOOH"	68.994688
"164102"	468.69944	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+2K-H"	76.91904
"607678"	664.58964	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+2K-H"	76.91904
"1090367"	272.80924	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2K-H"	76.91904
"148278"	234.853358	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"2M+2K"	77.926316
"582485"	332.798458	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"3M+2K"	77.926316
"1069671"	136.908258	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2K"	77.926316
"1108838"	274.823792	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2K+H"	78.933592
"1347049"	274.911407	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+DMSO+H"	79.021207
"1017767"	278.950576	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2ACN+H"	83.060376
"1537715"	279.944208	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+IsoProp+Na+H"	84.054008
"1004405"	139.978926	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+2ACN+2H"	84.067652
"1600122"	280.858828	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+K+HCOOH"	84.968628
"1427238"	310.890338	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+H+CF3COOH"	115.000138
"1154244"	160.492201	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+3ACN+2H"	125.094202
"1708169"	327.916885	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+NH4+CF3COOH"	132.026685
"1646007"	332.87228	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+Na+CF3COOH"	136.98208
"1580565"	348.84622	"C07515"	"Halothane"	"C2HBrClF3"	"195.8902"	"M+K+CF3COOH"	152.95602
"810933"	183.9714	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M"	0
"981184"	164.95301	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-H2O-H"	-19.01839
"73800"	121.640324	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M-3H"	-3.021828
"511174"	182.964124	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M-3H"	-3.021828
"888979"	60.316524	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-3H"	-3.021828
"7554"	182.964124	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H"	-2.014552
"443835"	274.949824	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H"	-2.014552
"823826"	90.978424	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-2H"	-2.014552
"88192"	366.935524	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M-H"	-1.007276
"531402"	550.906924	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M-H"	-1.007276
"907017"	182.964124	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-H"	-1.007276
"57383"	383.962071	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H+NH4"	16.019271
"492932"	567.933471	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H+NH4"	16.019271
"872920"	199.990671	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-2H+NH4"	16.019271
"39726"	388.917466	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H+Na"	20.974666
"483296"	572.888866	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H+Na"	20.974666
"862189"	204.946066	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-2H+Na"	20.974666
"1624435"	204.946066	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Na-2H"	20.974666
"99870"	200.952463	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M-H+Cl"	33.962126
"537243"	292.938163	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M-H+Cl"	33.962126
"935129"	108.966763	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-H+Cl"	33.962126
"273684"	402.912202	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+Cl"	34.969402
"666106"	586.883602	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+Cl"	34.969402
"1276321"	218.940802	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl"	34.969402
"18880"	404.891406	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H+K"	36.948606
"459533"	588.862806	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H+K"	36.948606
"836603"	220.920006	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-2H+K"	36.948606
"1558633"	220.920006	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+K-2H"	36.948606
"945425"	228.969594	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-H+HCOOH"	44.998194
"373492"	412.941001	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+HCOOH-H"	44.998201
"356279"	426.956651	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+Hac-H"	59.013851
"1501832"	242.985251	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Hac-H"	59.013851
"970467"	250.951551	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-H+NaCOOH"	66.980151
"121563"	218.940802	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+2Cl"	69.938804
"563313"	310.926502	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+2Cl"	69.938804
"1035766"	126.955102	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2Cl"	69.938804
"1255708"	262.890285	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Br"	78.918885
"1319492"	264.946272	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl+HCOOH"	80.974872
"1335451"	286.928229	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl+NaCOOH"	102.956829
"924524"	296.956986	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M-H+CF3COOH"	112.985586
"1302324"	332.933664	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl+CF3COOH"	148.962264
"1378297"	148.958724	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H-2H2O"	-35.012676
"1393242"	166.9687	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H-H2O"	-17.0027
"292561"	368.950076	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+H"	1.007276
"688268"	552.921476	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+H"	1.007276
"1365346"	184.978676	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H"	1.007276
"133134"	184.978676	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+2H"	2.014552
"571601"	276.964376	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+2H"	2.014552
"1046958"	92.992976	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2H"	2.014552
"206476"	123.654876	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+3H"	3.021828
"645061"	184.978676	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+3H"	3.021828
"1163798"	62.331076	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+3H"	3.021828
"436924"	385.976623	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+NH4"	18.033823
"795730"	569.948023	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+NH4"	18.033823
"1693153"	202.005223	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+NH4"	18.033823
"341430"	193.4919495	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+H+NH4"	19.041099
"728750"	285.4776495	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+H+NH4"	19.041099
"1483299"	101.5062495	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H+NH4"	19.041099
"399791"	390.932018	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+Na"	22.989218
"757869"	574.903418	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+Na"	22.989218
"1617396"	206.960618	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Na"	22.989218
"325491"	195.969647	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+H+Na"	23.996494
"721922"	287.955347	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+H+Na"	23.996494
"1470642"	103.983947	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H+Na"	23.996494
"1065711"	69.65839	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2H+Na"	25.00377
"1262281"	217.004886	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+CH3OH+H"	33.033486
"386326"	406.905958	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+K"	38.963158
"747320"	590.877358	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+K"	38.963158
"1543905"	222.934558	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+K"	38.963158
"303268"	203.956617	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+H+K"	39.970434
"693136"	295.942317	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+H+K"	39.970434
"1449517"	111.970917	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H+K"	39.970434
"249425"	409.976626	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+ACN+H"	42.033826
"1219581"	226.005226	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+ACN+H"	42.033826
"1206018"	113.506251	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+ACN+2H"	43.041102
"198524"	412.91396	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+2Na-H"	44.97116
"638083"	596.88536	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+2Na-H"	44.97116
"1139401"	228.94256	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2Na-H"	44.97116
"188049"	206.960618	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+2Na"	45.978436
"624450"	298.946318	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+2Na"	45.978436
"1126861"	114.974918	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2Na"	45.978436
"1411477"	76.985704	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H+2Na"	46.985712
"1444564"	230.984146	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H+HCOOH"	47.012746
"230006"	211.99364	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+3H2O+2H"	56.04448
"1516975"	245.03619	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+IsoProp+H"	61.06479
"416660"	214.947588	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+Na+K"	61.952376
"776199"	306.933288	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+Na+K"	61.952376
"1674352"	122.961888	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Na+K"	61.952376
"265609"	431.958568	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+ACN+Na"	64.015768
"1234311"	247.987168	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+ACN+Na"	64.015768
"1722104"	248.010693	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+NH4+HCOOH"	64.039293
"1181624"	84.313018	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+3Na"	68.967654
"1658443"	252.966088	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Na+HCOOH"	68.994688
"164212"	444.86184	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+2K-H"	76.91904
"608881"	628.83324	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+2K-H"	76.91904
"1090477"	260.89044	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2K-H"	76.91904
"151668"	222.934558	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"2M+2K"	77.926316
"582718"	314.920258	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"3M+2K"	77.926316
"1072456"	130.948858	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2K"	77.926316
"1108948"	262.904992	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2K+H"	78.933592
"1347159"	262.992607	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+DMSO+H"	79.021207
"1018606"	267.031776	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2ACN+H"	83.060376
"1537096"	268.025408	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+IsoProp+Na+H"	84.054008
"1004637"	134.019526	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+2ACN+2H"	84.067652
"1598410"	268.940028	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+K+HCOOH"	84.968628
"1427348"	298.971538	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+H+CF3COOH"	115.000138
"1154354"	154.532801	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+3ACN+2H"	125.094202
"1708279"	315.998085	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+NH4+CF3COOH"	132.026685
"1646117"	320.95348	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+Na+CF3COOH"	136.98208
"1580675"	336.92742	"C07516"	"Enflurane"	"C3H2ClF5O"	"183.9714"	"M+K+CF3COOH"	152.95602
"811043"	163.9607	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M"	0
"981294"	144.94231	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-H2O-H"	-19.01839
"73910"	108.299857333333	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M-3H"	-3.021828
"514564"	162.953424	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M-3H"	-3.021828
"885808"	53.6462906666667	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-3H"	-3.021828
"4383"	162.953424	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M-2H"	-2.014552
"441758"	244.933774	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M-2H"	-2.014552
"817328"	80.973074	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-2H"	-2.014552
"87208"	326.914124	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M-H"	-1.007276
"526773"	490.874824	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M-H"	-1.007276
"904574"	162.953424	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-H"	-1.007276
"54576"	343.940671	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M-2H+NH4"	16.019271
"490855"	507.901371	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M-2H+NH4"	16.019271
"868656"	179.979971	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-2H+NH4"	16.019271
"39836"	348.896066	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M-2H+Na"	20.974666
"481218"	512.856766	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M-2H+Na"	20.974666
"857196"	184.935366	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-2H+Na"	20.974666
"1623451"	184.935366	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Na-2H"	20.974666
"99980"	180.941763	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M-H+Cl"	33.962126
"537353"	262.922113	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M-H+Cl"	33.962126
"934147"	98.961413	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-H+Cl"	33.962126
"271608"	362.890802	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+Cl"	34.969402
"664030"	526.851502	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+Cl"	34.969402
"1273067"	198.930102	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Cl"	34.969402
"16802"	364.870006	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M-2H+K"	36.948606
"458550"	528.830706	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M-2H+K"	36.948606
"836349"	200.909306	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-2H+K"	36.948606
"1556556"	200.909306	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+K-2H"	36.948606
"944442"	208.958894	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-H+HCOOH"	44.998194
"367033"	372.919601	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+HCOOH-H"	44.998201
"353106"	386.935251	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+Hac-H"	59.013851
"1501940"	222.974551	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Hac-H"	59.013851
"966201"	230.940851	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-H+NaCOOH"	66.980151
"119485"	198.930102	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+2Cl"	69.938804
"559046"	280.910452	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+2Cl"	69.938804
"1036607"	116.949752	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2Cl"	69.938804
"1256062"	242.879585	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Br"	78.918885
"1319768"	244.935572	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Cl+HCOOH"	80.974872
"1335034"	266.917529	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Cl+NaCOOH"	102.956829
"924998"	276.946286	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M-H+CF3COOH"	112.985586
"1302434"	312.922964	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Cl+CF3COOH"	148.962264
"1380959"	128.948024	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H-2H2O"	-35.012676
"1394809"	146.958	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H-H2O"	-17.0027
"296317"	328.928676	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+H"	1.007276
"689837"	492.889376	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+H"	1.007276
"1366186"	164.967976	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H"	1.007276
"136524"	164.967976	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+2H"	2.014552
"571711"	246.948326	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+2H"	2.014552
"1047068"	82.987626	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2H"	2.014552
"207315"	110.314409333333	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+3H"	3.021828
"647968"	164.967976	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+3H"	3.021828
"1166095"	55.6608426666667	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+3H"	3.021828
"437763"	345.955223	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+NH4"	18.033823
"795841"	509.915923	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+NH4"	18.033823
"1693263"	181.994523	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+NH4"	18.033823
"340448"	173.4812495	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+H+NH4"	19.041099
"728860"	255.4615995	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+H+NH4"	19.041099
"1482680"	91.5008995	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H+NH4"	19.041099
"397714"	350.910618	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+Na"	22.989218
"758708"	514.871318	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+Na"	22.989218
"1616292"	186.949918	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Na"	22.989218
"325966"	175.958947	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+H+Na"	23.996494
"718751"	257.939297	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+H+Na"	23.996494
"1471845"	93.978597	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H+Na"	23.996494
"1067278"	62.9881566666667	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2H+Na"	25.00377
"1262391"	196.994186	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+CH3OH+H"	33.033486
"386436"	366.884558	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+K"	38.963158
"747430"	530.845258	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+K"	38.963158
"1545108"	202.923858	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+K"	38.963158
"303378"	183.945917	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+H+K"	39.970434
"693611"	265.926267	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+H+K"	39.970434
"1449627"	101.965567	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H+K"	39.970434
"248078"	369.955226	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+ACN+H"	42.033826
"1221514"	205.994526	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+ACN+H"	42.033826
"1206128"	103.500901	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+ACN+2H"	43.041102
"198634"	372.89256	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+2Na-H"	44.97116
"637100"	536.85326	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+2Na-H"	44.97116
"1140605"	208.93186	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2Na-H"	44.97116
"186094"	186.949918	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+2Na"	45.978436
"622373"	268.930268	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+2Na"	45.978436
"1123691"	104.969568	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2Na"	45.978436
"1408307"	70.3154706666667	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H+2Na"	46.985712
"1443703"	210.973446	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H+HCOOH"	47.012746
"231210"	191.98294	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+3H2O+2H"	56.04448
"1514899"	225.02549	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+IsoProp+H"	61.06479
"413490"	194.936888	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+Na+K"	61.952376
"775581"	276.917238	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+Na+K"	61.952376
"1671912"	112.956538	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Na+K"	61.952376
"261711"	391.937168	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+ACN+Na"	64.015768
"1234421"	227.976468	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+ACN+Na"	64.015768
"1722214"	227.999993	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+NH4+HCOOH"	64.039293
"1183193"	77.6427846666667	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+3Na"	68.967654
"1658553"	232.955388	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Na+HCOOH"	68.994688
"166509"	404.84044	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+2K-H"	76.91904
"608991"	568.80114	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+2K-H"	76.91904
"1090587"	240.87974	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2K-H"	76.91904
"148498"	202.923858	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"2M+2K"	77.926316
"583679"	284.904208	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"3M+2K"	77.926316
"1072566"	120.943508	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2K"	77.926316
"1109058"	242.894292	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2K+H"	78.933592
"1348363"	242.981907	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+DMSO+H"	79.021207
"1020174"	247.021076	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2ACN+H"	83.060376
"1537206"	248.014708	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+IsoProp+Na+H"	84.054008
"1005112"	124.014176	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+2ACN+2H"	84.067652
"1599249"	248.929328	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+K+HCOOH"	84.968628
"1427458"	278.960838	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+H+CF3COOH"	115.000138
"1154464"	144.527451	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+3ACN+2H"	125.094202
"1708389"	295.987385	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+NH4+CF3COOH"	132.026685
"1646227"	300.94278	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+Na+CF3COOH"	136.98208
"1580785"	316.91672	"C07517"	"Methoxyflurane"	"C3H4Cl2F2O"	"163.9607"	"M+K+CF3COOH"	152.95602
"811153"	183.9714	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M"	0
"981404"	164.95301	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-H2O-H"	-19.01839
"74020"	121.640324	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M-3H"	-3.021828
"512487"	182.964124	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M-3H"	-3.021828
"885918"	60.316524	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-3H"	-3.021828
"4493"	182.964124	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H"	-2.014552
"441139"	274.949824	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H"	-2.014552
"817969"	90.978424	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-2H"	-2.014552
"87318"	366.935524	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M-H"	-1.007276
"527976"	550.906924	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M-H"	-1.007276
"903590"	182.964124	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-H"	-1.007276
"56872"	383.962071	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H+NH4"	16.019271
"492058"	567.933471	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H+NH4"	16.019271
"866578"	199.990671	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-2H+NH4"	16.019271
"35571"	388.917466	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H+Na"	20.974666
"477318"	572.888866	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H+Na"	20.974666
"861315"	204.946066	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-2H+Na"	20.974666
"1620281"	204.946066	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Na-2H"	20.974666
"101183"	200.952463	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M-H+Cl"	33.962126
"537463"	292.938163	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M-H+Cl"	33.962126
"934257"	108.966763	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-H+Cl"	33.962126
"276094"	402.912202	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+Cl"	34.969402
"669608"	586.883602	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+Cl"	34.969402
"1278729"	218.940802	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl"	34.969402
"18006"	404.891406	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M-2H+K"	36.948606
"458660"	588.862806	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M-2H+K"	36.948606
"835367"	220.920006	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-2H+K"	36.948606
"1557762"	220.920006	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+K-2H"	36.948606
"954393"	228.969594	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-H+HCOOH"	44.998194
"366049"	412.941001	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+HCOOH-H"	44.998201
"354310"	426.956651	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+Hac-H"	59.013851
"1502053"	242.985251	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Hac-H"	59.013851
"969594"	250.951551	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-H+NaCOOH"	66.980151
"121784"	218.940802	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+2Cl"	69.938804
"559154"	310.926502	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+2Cl"	69.938804
"1032330"	126.955102	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2Cl"	69.938804
"1256169"	262.890285	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Br"	78.918885
"1319672"	264.946272	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl+HCOOH"	80.974872
"1334901"	286.928229	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl+NaCOOH"	102.956829
"922918"	296.956986	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M-H+CF3COOH"	112.985586
"1299628"	332.933664	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Cl+CF3COOH"	148.962264
"1381068"	148.958724	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H-2H2O"	-35.012676
"1392003"	166.9687	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H-H2O"	-17.0027
"297283"	368.950076	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+H"	1.007276
"687395"	552.921476	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+H"	1.007276
"1360461"	184.978676	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H"	1.007276
"138820"	184.978676	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+2H"	2.014552
"570728"	276.964376	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+2H"	2.014552
"1041709"	92.992976	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2H"	2.014552
"208880"	123.654876	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+3H"	3.021828
"645889"	184.978676	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+3H"	3.021828
"1166207"	62.331076	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+3H"	3.021828
"434954"	385.976623	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+NH4"	18.033823
"797044"	569.948023	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+NH4"	18.033823
"1694467"	202.005223	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+NH4"	18.033823
"341652"	193.4919495	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+H+NH4"	19.041099
"728970"	285.4776495	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+H+NH4"	19.041099
"1485706"	101.5062495	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H+NH4"	19.041099
"397095"	390.932018	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+Na"	22.989218
"759548"	574.903418	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+Na"	22.989218
"1615672"	206.960618	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Na"	22.989218
"326076"	195.969647	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+H+Na"	23.996494
"718132"	287.955347	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+H+Na"	23.996494
"1474141"	103.983947	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H+Na"	23.996494
"1065197"	69.65839	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2H+Na"	25.00377
"1267972"	217.004886	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+CH3OH+H"	33.033486
"389097"	406.905958	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+K"	38.963158
"748632"	590.877358	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+K"	38.963158
"1545218"	222.934558	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+K"	38.963158
"304581"	203.956617	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+H+K"	39.970434
"697003"	295.942317	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+H+K"	39.970434
"1451918"	111.970917	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H+K"	39.970434
"249279"	409.976626	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+ACN+H"	42.033826
"1221988"	226.005226	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+ACN+H"	42.033826
"1206237"	113.506251	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+ACN+2H"	43.041102
"199473"	412.91396	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+2Na-H"	44.97116
"638303"	596.88536	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+2Na-H"	44.97116
"1138528"	228.94256	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2Na-H"	44.97116
"181830"	206.960618	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+2Na"	45.978436
"622482"	298.946318	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+2Na"	45.978436
"1123800"	114.974918	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2Na"	45.978436
"1408782"	76.985704	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H+2Na"	46.985712
"1440531"	230.984146	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H+HCOOH"	47.012746
"224759"	211.99364	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+3H2O+2H"	56.04448
"1512093"	245.03619	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+IsoProp+H"	61.06479
"412506"	214.947588	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+Na+K"	61.952376
"775691"	306.933288	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+Na+K"	61.952376
"1672022"	122.961888	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Na+K"	61.952376
"258539"	431.958568	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+ACN+Na"	64.015768
"1233437"	247.987168	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+ACN+Na"	64.015768
"1719044"	248.010693	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+NH4+HCOOH"	64.039293
"1185489"	84.313018	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+3Na"	68.967654
"1655382"	252.966088	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Na+HCOOH"	68.994688
"164432"	444.86184	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+2K-H"	76.91904
"607280"	628.83324	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+2K-H"	76.91904
"1092519"	260.89044	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2K-H"	76.91904
"142286"	222.934558	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"2M+2K"	77.926316
"589262"	314.920258	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"3M+2K"	77.926316
"1072676"	130.948858	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2K"	77.926316
"1109168"	262.904992	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2K+H"	78.933592
"1349201"	262.992607	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+DMSO+H"	79.021207
"1019553"	267.031776	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2ACN+H"	83.060376
"1535130"	268.025408	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+IsoProp+Na+H"	84.054008
"1003398"	134.019526	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+2ACN+2H"	84.067652
"1601545"	268.940028	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+K+HCOOH"	84.968628
"1424286"	298.971538	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+H+CF3COOH"	115.000138
"1161135"	154.532801	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+3ACN+2H"	125.094202
"1705219"	315.998085	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+NH4+CF3COOH"	132.026685
"1646337"	320.95348	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+Na+CF3COOH"	136.98208
"1580895"	336.92742	"C07518"	"Isoflurane"	"C3H2ClF5O"	"183.9714"	"M+K+CF3COOH"	152.95602
"811263"	168.001	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M"	0
"981514"	148.98261	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-H2O-H"	-19.01839
"74130"	110.993390666667	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M-3H"	-3.021828
"516970"	166.993724	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M-3H"	-3.021828
"887122"	54.9930573333333	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-3H"	-3.021828
"1687"	166.993724	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M-2H"	-2.014552
"441734"	250.994224	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M-2H"	-2.014552
"817831"	82.993224	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-2H"	-2.014552
"87428"	334.994724	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M-H"	-1.007276
"528086"	502.995724	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M-H"	-1.007276
"906980"	166.993724	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-H"	-1.007276
"51515"	352.021271	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M-2H+NH4"	16.019271
"492168"	520.022271	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M-2H+NH4"	16.019271
"868875"	184.020271	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-2H+NH4"	16.019271
"35681"	356.976666	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M-2H+Na"	20.974666
"476335"	524.977666	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M-2H+Na"	20.974666
"855229"	188.975666	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-2H+Na"	20.974666
"1623671"	188.975666	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Na-2H"	20.974666
"100200"	184.982063	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M-H+Cl"	33.962126
"538667"	268.982563	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M-H+Cl"	33.962126
"936553"	100.981563	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-H+Cl"	33.962126
"276204"	370.971402	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+Cl"	34.969402
"669718"	538.972402	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+Cl"	34.969402
"1278840"	202.970402	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Cl"	34.969402
"19209"	372.950606	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M-2H+K"	36.948606
"456704"	540.951606	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M-2H+K"	36.948606
"834505"	204.949606	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-2H+K"	36.948606
"1557872"	204.949606	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+K-2H"	36.948606
"954503"	212.999194	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-H+HCOOH"	44.998194
"368346"	381.000201	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+HCOOH-H"	44.998201
"354420"	395.015851	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+Hac-H"	59.013851
"1502161"	227.014851	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Hac-H"	59.013851
"968610"	234.981151	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-H+NaCOOH"	66.980151
"120431"	202.970402	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+2Cl"	69.938804
"558170"	286.970902	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+2Cl"	69.938804
"1029159"	118.969902	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2Cl"	69.938804
"1256157"	246.919885	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Br"	78.918885
"1319213"	248.975872	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Cl+HCOOH"	80.974872
"1329780"	270.957829	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Cl+NaCOOH"	102.956829
"923028"	280.986586	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M-H+CF3COOH"	112.985586
"1299737"	316.963264	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Cl+CF3COOH"	148.962264
"1373524"	132.988324	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H-2H2O"	-35.012676
"1389926"	150.9983	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H-H2O"	-17.0027
"289611"	337.009276	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+H"	1.007276
"685317"	505.010276	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+H"	1.007276
"1360571"	169.008276	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H"	1.007276
"133463"	169.008276	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+2H"	2.014552
"569379"	253.008776	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+2H"	2.014552
"1038903"	85.007776	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2H"	2.014552
"207532"	113.007942666667	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+3H"	3.021828
"645269"	169.008276	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+3H"	3.021828
"1164130"	57.0076093333333	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+3H"	3.021828
"433971"	354.035823	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+NH4"	18.033823
"794968"	522.036823	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+NH4"	18.033823
"1690205"	186.034823	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+NH4"	18.033823
"340668"	177.5215495	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+H+NH4"	19.041099
"729080"	261.5220495	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+H+NH4"	19.041099
"1483628"	93.5210495	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H+NH4"	19.041099
"397569"	358.991218	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+Na"	22.989218
"756378"	526.992218	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+Na"	22.989218
"1614688"	190.990218	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Na"	22.989218
"326914"	179.999247	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+H+Na"	23.996494
"719335"	263.999747	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+H+Na"	23.996494
"1473157"	95.998747	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H+Na"	23.996494
"1063121"	64.3349233333333	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2H+Na"	25.00377
"1263709"	201.034486	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+CH3OH+H"	33.033486
"384470"	374.965158	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+K"	38.963158
"745462"	542.966158	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+K"	38.963158
"1543141"	206.964158	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+K"	38.963158
"302504"	187.986217	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+H+K"	39.970434
"692739"	271.986717	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+H+K"	39.970434
"1450205"	103.985717	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H+K"	39.970434
"236129"	378.035826	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+ACN+H"	42.033826
"1223194"	210.034826	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+ACN+H"	42.033826
"1208048"	105.521051	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+ACN+2H"	43.041102
"199583"	380.97316	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+2Na-H"	44.97116
"638413"	548.97416	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+2Na-H"	44.97116
"1138638"	212.97216	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2Na-H"	44.97116
"183761"	190.990218	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+2Na"	45.978436
"621499"	274.990718	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+2Na"	45.978436
"1126100"	106.989718	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2Na"	45.978436
"1408893"	71.6622373333333	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H+2Na"	46.985712
"1440277"	215.013746	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H+HCOOH"	47.012746
"228149"	196.02324	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+3H2O+2H"	56.04448
"1512931"	229.06579	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+IsoProp+H"	61.06479
"414803"	198.977188	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+Na+K"	61.952376
"780175"	282.977688	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+Na+K"	61.952376
"1677236"	114.976688	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Na+K"	61.952376
"258649"	400.017768	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+ACN+Na"	64.015768
"1233546"	232.016768	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+ACN+Na"	64.015768
"1719518"	232.040293	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+NH4+HCOOH"	64.039293
"1186693"	78.9895513333333	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+3Na"	68.967654
"1656585"	236.995688	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Na+HCOOH"	68.994688
"164908"	412.92104	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+2K-H"	76.91904
"607390"	580.92204	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+2K-H"	76.91904
"1092265"	244.92004	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2K-H"	76.91904
"149811"	206.964158	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"2M+2K"	77.926316
"590832"	290.964658	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"3M+2K"	77.926316
"1077527"	122.963658	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2K"	77.926316
"1110375"	246.934592	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2K+H"	78.933592
"1349073"	247.022207	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+DMSO+H"	79.021207
"1020396"	251.061376	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2ACN+H"	83.060376
"1537062"	252.055008	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+IsoProp+Na+H"	84.054008
"1004726"	126.034326	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+2ACN+2H"	84.067652
"1601291"	252.969628	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+K+HCOOH"	84.968628
"1424396"	283.001138	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+H+CF3COOH"	115.000138
"1161245"	146.547601	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+3ACN+2H"	125.094202
"1705329"	300.027685	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+NH4+CF3COOH"	132.026685
"1646447"	304.98308	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+Na+CF3COOH"	136.98208
"1581005"	320.95702	"C07519"	"Desflurane"	"C3H2F6O"	"168.001"	"M+K+CF3COOH"	152.95602
"813560"	200.0072	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M"	0
"984904"	180.98881	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-H2O-H"	-19.01839
"76428"	132.330857333333	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M-3H"	-3.021828
"517080"	198.999924	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M-3H"	-3.021828
"889418"	65.6617906666667	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-3H"	-3.021828
"13459"	198.999924	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M-2H"	-2.014552
"449738"	299.003524	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M-2H"	-2.014552
"822072"	98.996324	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-2H"	-2.014552
"82069"	399.007124	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M-H"	-1.007276
"532206"	599.014324	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M-H"	-1.007276
"905998"	198.999924	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-H"	-1.007276
"51625"	416.033671	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M-2H+NH4"	16.019271
"497745"	616.040871	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M-2H+NH4"	16.019271
"866799"	216.026471	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-2H+NH4"	16.019271
"41259"	420.989066	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M-2H+Na"	20.974666
"481913"	620.996266	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M-2H+Na"	20.974666
"856435"	220.981866	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-2H+Na"	20.974666
"1623783"	220.981866	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Na-2H"	20.974666
"99217"	216.988263	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M-H+Cl"	33.962126
"540964"	316.991863	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M-H+Cl"	33.962126
"935570"	116.984663	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-H+Cl"	33.962126
"273034"	434.983802	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+Cl"	34.969402
"668735"	634.991002	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+Cl"	34.969402
"1278950"	234.976602	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Cl"	34.969402
"18226"	436.963006	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M-2H+K"	36.948606
"457787"	636.970206	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M-2H+K"	36.948606
"833400"	236.955806	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-2H+K"	36.948606
"1557982"	236.955806	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+K-2H"	36.948606
"954614"	245.005394	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-H+HCOOH"	44.998194
"367363"	445.012601	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+HCOOH-H"	44.998201
"350158"	459.028251	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+Hac-H"	59.013851
"1495708"	259.021051	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Hac-H"	59.013851
"965440"	266.987351	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-H+NaCOOH"	66.980151
"119812"	234.976602	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+2Cl"	69.938804
"557186"	334.980202	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+2Cl"	69.938804
"1027083"	134.973002	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2Cl"	69.938804
"1253591"	278.926085	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Br"	78.918885
"1317498"	280.982072	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Cl+HCOOH"	80.974872
"1330983"	302.964029	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Cl+NaCOOH"	102.956829
"922045"	312.992786	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M-H+CF3COOH"	112.985586
"1299483"	348.969464	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Cl+CF3COOH"	148.962264
"1372541"	164.994524	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H-2H2O"	-35.012676
"1389672"	183.0045	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H-H2O"	-17.0027
"295553"	401.021676	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+H"	1.007276
"687615"	601.028876	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+H"	1.007276
"1359588"	201.014476	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H"	1.007276
"130293"	201.014476	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+2H"	2.014552
"565963"	301.018076	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+2H"	2.014552
"1037117"	101.010876	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2H"	2.014552
"204552"	134.345409333333	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+3H"	3.021828
"644328"	201.014476	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+3H"	3.021828
"1164606"	67.6763426666667	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+3H"	3.021828
"426056"	418.048223	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+NH4"	18.033823
"799086"	618.055423	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+NH4"	18.033823
"1692501"	218.041023	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+NH4"	18.033823
"338592"	209.5277495	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+H+NH4"	19.041099
"731013"	309.5313495	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+H+NH4"	19.041099
"1483741"	109.5241495	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H+NH4"	19.041099
"401327"	423.003618	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+Na"	22.989218
"756852"	623.010818	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+Na"	22.989218
"1616986"	222.996418	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Na"	22.989218
"324839"	212.005447	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+H+Na"	23.996494
"718353"	312.009047	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+H+Na"	23.996494
"1472174"	112.001847	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H+Na"	23.996494
"1062138"	75.0036566666667	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2H+Na"	25.00377
"1264912"	233.040686	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+CH3OH+H"	33.033486
"384576"	438.977558	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+K"	38.963158
"745572"	638.984758	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+K"	38.963158
"1549812"	238.970358	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+K"	38.963158
"301521"	219.992417	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+H+K"	39.970434
"692118"	319.996017	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+H+K"	39.970434
"1449222"	119.988817	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H+K"	39.970434
"236119"	442.048226	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+ACN+H"	42.033826
"1220023"	242.041026	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+ACN+H"	42.033826
"1204999"	121.524151	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+ACN+2H"	43.041102
"198964"	444.98556	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+2Na-H"	44.97116
"637430"	644.99276	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+2Na-H"	44.97116
"1138748"	244.97836	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2Na-H"	44.97116
"183871"	222.996418	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+2Na"	45.978436
"623796"	323.000018	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+2Na"	45.978436
"1126207"	122.992818	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2Na"	45.978436
"1409729"	82.3309706666667	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H+2Na"	46.985712
"1440751"	247.019946	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H+HCOOH"	47.012746
"226072"	228.02944	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+3H2O+2H"	56.04448
"1515228"	261.07199	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+IsoProp+H"	61.06479
"414912"	230.983388	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+Na+K"	61.952376
"778098"	330.986988	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+Na+K"	61.952376
"1675522"	130.979788	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Na+K"	61.952376
"255843"	464.030168	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+ACN+Na"	64.015768
"1229646"	264.022968	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+ACN+Na"	64.015768
"1716711"	264.046493	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+NH4+HCOOH"	64.039293
"1183522"	89.6582846666667	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+3Na"	68.967654
"1655601"	269.001888	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Na+HCOOH"	68.994688
"164652"	476.93344	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+2K-H"	76.91904
"607133"	676.94064	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+2K-H"	76.91904
"1092009"	276.92624	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2K-H"	76.91904
"149921"	238.970358	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"2M+2K"	77.926316
"592035"	338.973958	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"3M+2K"	77.926316
"1077273"	138.966758	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2K"	77.926316
"1111214"	278.940792	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2K+H"	78.933592
"1347965"	279.028407	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+DMSO+H"	79.021207
"1020142"	283.067576	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2ACN+H"	83.060376
"1538510"	284.061208	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+IsoProp+Na+H"	84.054008
"1004715"	142.037426	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+2ACN+2H"	84.067652
"1597752"	284.975828	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+K+HCOOH"	84.968628
"1423411"	315.007338	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+H+CF3COOH"	115.000138
"1152606"	162.550701	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+3ACN+2H"	125.094202
"1706532"	332.033885	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+NH4+CF3COOH"	132.026685
"1646557"	336.98928	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+Na+CF3COOH"	136.98208
"1581115"	352.96322	"C07520"	"Sevoflurane"	"C4H3F7O"	"200.0072"	"M+K+CF3COOH"	152.95602
"815857"	242.1089	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M"	0
"983921"	223.09051	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-H2O-H"	-19.01839
"76538"	160.398657333333	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M-3H"	-3.021828
"513910"	241.101624	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M-3H"	-3.021828
"888435"	79.6956906666667	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-3H"	-3.021828
"13569"	241.101624	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M-2H"	-2.014552
"449848"	362.156074	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M-2H"	-2.014552
"824369"	120.047174	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-2H"	-2.014552
"89830"	483.210524	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M-H"	-1.007276
"527206"	725.319424	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M-H"	-1.007276
"905015"	241.101624	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-H"	-1.007276
"56108"	500.237071	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M-2H+NH4"	16.019271
"496762"	742.345971	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M-2H+NH4"	16.019271
"872376"	258.128171	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-2H+NH4"	16.019271
"41369"	505.192466	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M-2H+Na"	20.974666
"477649"	747.301366	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M-2H+Na"	20.974666
"856545"	263.083566	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-2H+Na"	20.974666
"1623893"	263.083566	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Na-2H"	20.974666
"97140"	259.089963	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M-H+Cl"	33.962126
"544354"	380.144413	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M-H+Cl"	33.962126
"938233"	138.035513	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-H+Cl"	33.962126
"276060"	519.187202	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+Cl"	34.969402
"668481"	761.296102	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+Cl"	34.969402
"1279060"	277.078302	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Cl"	34.969402
"22711"	521.166406	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M-2H+K"	36.948606
"461178"	763.275306	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M-2H+K"	36.948606
"841167"	279.057506	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-2H+K"	36.948606
"1560280"	279.057506	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+K-2H"	36.948606
"947069"	287.107094	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-H+HCOOH"	44.998194
"364558"	529.216001	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+HCOOH-H"	44.998201
"347713"	543.231651	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+Hac-H"	59.013851
"1494726"	301.122751	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Hac-H"	59.013851
"964455"	309.089051	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-H+NaCOOH"	66.980151
"114452"	277.078302	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+2Cl"	69.938804
"554021"	398.132752	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+2Cl"	69.938804
"1027193"	156.023852	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2Cl"	69.938804
"1252241"	321.027785	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Br"	78.918885
"1314690"	323.083772	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Cl+HCOOH"	80.974872
"1331093"	345.065729	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Cl+NaCOOH"	102.956829
"921061"	355.094486	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M-H+CF3COOH"	112.985586
"1297771"	391.071164	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Cl+CF3COOH"	148.962264
"1372651"	207.096224	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H-2H2O"	-35.012676
"1389053"	225.1062	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H-H2O"	-17.0027
"292383"	485.225076	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+H"	1.007276
"682258"	727.333976	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+H"	1.007276
"1359698"	243.116176	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H"	1.007276
"132588"	243.116176	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+2H"	2.014552
"569964"	364.170626	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+2H"	2.014552
"1038758"	122.061726	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2H"	2.014552
"204380"	162.413209333333	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+3H"	3.021828
"644635"	243.116176	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+3H"	3.021828
"1166173"	81.7102426666667	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+3H"	3.021828
"427259"	502.251623	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+NH4"	18.033823
"798105"	744.360523	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+NH4"	18.033823
"1692611"	260.142723	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+NH4"	18.033823
"338703"	251.6294495	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+H+NH4"	19.041099
"730395"	372.6838995	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+H+NH4"	19.041099
"1486038"	130.5749995	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H+NH4"	19.041099
"398157"	507.207018	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+Na"	22.989218
"757326"	749.315918	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+Na"	22.989218
"1614910"	265.098118	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Na"	22.989218
"327502"	254.107147	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+H+Na"	23.996494
"719558"	375.161597	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+H+Na"	23.996494
"1472286"	133.052697	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H+Na"	23.996494
"1065895"	89.0375566666667	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2H+Na"	25.00377
"1263928"	275.142386	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+CH3OH+H"	33.033486
"384687"	523.180958	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+K"	38.963158
"745683"	765.289858	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+K"	38.963158
"1548829"	281.072058	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+K"	38.963158
"304912"	262.094117	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+H+K"	39.970434
"699522"	383.148567	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+H+K"	39.970434
"1447873"	141.039667	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H+K"	39.970434
"237569"	526.251626	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+ACN+H"	42.033826
"1220132"	284.142726	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+ACN+H"	42.033826
"1208268"	142.575001	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+ACN+2H"	43.041102
"200897"	529.18896	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+2Na-H"	44.97116
"638633"	771.29786	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+2Na-H"	44.97116
"1142139"	287.08006	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2Na-H"	44.97116
"184710"	265.098118	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+2Na"	45.978436
"620624"	386.152568	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+2Na"	45.978436
"1126315"	144.043668	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2Na"	45.978436
"1413363"	96.3648706666667	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H+2Na"	46.985712
"1441953"	289.121646	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H+HCOOH"	47.012746
"233835"	270.13114	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+3H2O+2H"	56.04448
"1517526"	303.17369	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+IsoProp+H"	61.06479
"412837"	273.085088	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+Na+K"	61.952376
"778208"	394.139538	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+Na+K"	61.952376
"1675632"	152.030638	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Na+K"	61.952376
"255590"	548.233568	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+ACN+Na"	64.015768
"1229028"	306.124668	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+ACN+Na"	64.015768
"1717187"	306.148193	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+NH4+HCOOH"	64.039293
"1184726"	103.692184666667	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+3Na"	68.967654
"1656804"	311.103588	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Na+HCOOH"	68.994688
"162574"	561.13684	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+2K-H"	76.91904
"603234"	803.24574	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+2K-H"	76.91904
"1092120"	319.02794	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2K-H"	76.91904
"150759"	281.072058	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"2M+2K"	77.926316
"595061"	402.126508	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"3M+2K"	77.926316
"1075195"	160.017608	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2K"	77.926316
"1109500"	321.042492	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2K+H"	78.933592
"1349168"	321.130107	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+DMSO+H"	79.021207
"1015508"	325.169276	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2ACN+H"	83.060376
"1538375"	326.162908	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+IsoProp+Na+H"	84.054008
"1005063"	163.088276	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+2ACN+2H"	84.067652
"1600049"	327.077528	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+K+HCOOH"	84.968628
"1420240"	357.109038	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+H+CF3COOH"	115.000138
"1152716"	183.601551	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+3ACN+2H"	125.094202
"1697893"	374.135585	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+NH4+CF3COOH"	132.026685
"1646667"	379.09098	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+Na+CF3COOH"	136.98208
"1581225"	395.06492	"C07521"	"Thiopental"	"C11H18N2O2S"	"242.1089"	"M+K+CF3COOH"	152.95602
"814874"	244.1212	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M"	0
"981844"	225.10281	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-H2O-H"	-19.01839
"74461"	161.740190666667	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M-3H"	-3.021828
"510740"	243.113924	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M-3H"	-3.021828
"891822"	80.3664573333333	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-3H"	-3.021828
"10399"	243.113924	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M-2H"	-2.014552
"446678"	365.174524	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M-2H"	-2.014552
"821199"	121.053324	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-2H"	-2.014552
"89940"	487.235124	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M-H"	-1.007276
"525129"	731.356324	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M-H"	-1.007276
"907311"	243.113924	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-H"	-1.007276
"56218"	504.261671	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M-2H+NH4"	16.019271
"496872"	748.382871	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M-2H+NH4"	16.019271
"871393"	260.140471	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-2H+NH4"	16.019271
"40386"	509.217066	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M-2H+Na"	20.974666
"476666"	753.338266	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M-2H+Na"	20.974666
"856655"	265.095866	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-2H+Na"	20.974666
"1624003"	265.095866	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Na-2H"	20.974666
"97250"	261.102263	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M-H+Cl"	33.962126
"544464"	383.162863	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M-H+Cl"	33.962126
"936520"	139.041663	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-H+Cl"	33.962126
"277263"	523.211802	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+Cl"	34.969402
"668954"	767.333002	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+Cl"	34.969402
"1280263"	279.090602	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Cl"	34.969402
"23914"	525.191006	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M-2H+K"	36.948606
"461287"	769.312206	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M-2H+K"	36.948606
"839090"	281.069806	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-2H+K"	36.948606
"1560390"	281.069806	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+K-2H"	36.948606
"949366"	289.119394	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-H+HCOOH"	44.998194
"367582"	533.240601	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+HCOOH-H"	44.998201
"353653"	547.256251	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+Hac-H"	59.013851
"1496657"	303.135051	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Hac-H"	59.013851
"966752"	311.101351	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-H+NaCOOH"	66.980151
"118209"	279.090602	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+2Cl"	69.938804
"562145"	401.151202	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+2Cl"	69.938804
"1031671"	157.030002	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2Cl"	69.938804
"1245060"	323.040085	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Br"	78.918885
"1310425"	325.096072	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Cl+HCOOH"	80.974872
"1324641"	347.078029	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Cl+NaCOOH"	102.956829
"920076"	357.106786	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M-H+CF3COOH"	112.985586
"1300064"	393.083464	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Cl+CF3COOH"	148.962264
"1372759"	209.108524	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H-2H2O"	-35.012676
"1390256"	227.1185	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H-H2O"	-17.0027
"293222"	489.249676	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+H"	1.007276
"682367"	733.370876	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+H"	1.007276
"1359808"	245.128476	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H"	1.007276
"132699"	245.128476	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+2H"	2.014552
"568981"	367.189076	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+2H"	2.014552
"1039112"	123.067876	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2H"	2.014552
"204823"	163.754742666667	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+3H"	3.021828
"644995"	245.128476	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+3H"	3.021828
"1167742"	82.3810093333333	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+3H"	3.021828
"427734"	506.276223	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+NH4"	18.033823
"797486"	750.397423	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+NH4"	18.033823
"1691628"	262.155023	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+NH4"	18.033823
"337720"	253.6417495	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+H+NH4"	19.041099
"731234"	375.7023495	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+H+NH4"	19.041099
"1486148"	131.5811495	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H+NH4"	19.041099
"400454"	511.231618	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+Na"	22.989218
"759262"	755.352818	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+Na"	22.989218
"1613927"	267.110418	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Na"	22.989218
"326154"	256.119447	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+H+Na"	23.996494
"719305"	378.180047	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+H+Na"	23.996494
"1472760"	134.058847	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H+Na"	23.996494
"1065640"	89.7083233333333	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2H+Na"	25.00377
"1266224"	277.154686	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+CH3OH+H"	33.033486
"385890"	527.205558	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+K"	38.963158
"745793"	771.326758	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+K"	38.963158
"1550032"	283.084358	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+K"	38.963158
"303929"	264.106417	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+H+K"	39.970434
"697446"	386.167017	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+H+K"	39.970434
"1446890"	142.045817	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H+K"	39.970434
"240596"	530.276226	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+ACN+H"	42.033826
"1220242"	286.155026	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+ACN+H"	42.033826
"1207406"	143.581151	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+ACN+2H"	43.041102
"201007"	533.21356	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+2Na-H"	44.97116
"638743"	777.33476	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+2Na-H"	44.97116
"1140061"	289.09236	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2Na-H"	44.97116
"182997"	267.110418	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+2Na"	45.978436
"619640"	389.171018	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+2Na"	45.978436
"1123145"	145.049818	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2Na"	45.978436
"1407762"	97.0356373333333	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H+2Na"	46.985712
"1437690"	291.133946	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H+HCOOH"	47.012746
"231757"	272.14344	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+3H2O+2H"	56.04448
"1515449"	305.18599	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+IsoProp+H"	61.06479
"415134"	275.097388	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+Na+K"	61.952376
"778318"	397.157988	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+Na+K"	61.952376
"1670273"	153.036788	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Na+K"	61.952376
"256792"	552.258168	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+ACN+Na"	64.015768
"1231325"	308.136968	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+ACN+Na"	64.015768
"1719484"	308.160493	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+NH4+HCOOH"	64.039293
"1184106"	104.362951333333	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+3Na"	68.967654
"1655819"	313.115888	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Na+HCOOH"	68.994688
"161592"	565.16144	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+2K-H"	76.91904
"603343"	809.28264	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+2K-H"	76.91904
"1093322"	321.04024	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2K-H"	76.91904
"150869"	283.084358	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"2M+2K"	77.926316
"592618"	405.144958	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"3M+2K"	77.926316
"1075305"	161.023758	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2K"	77.926316
"1109610"	323.054792	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2K+H"	78.933592
"1347089"	323.142407	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+DMSO+H"	79.021207
"1018898"	327.181576	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2ACN+H"	83.060376
"1535929"	328.175208	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+IsoProp+Na+H"	84.054008
"1005294"	164.094426	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+2ACN+2H"	84.067652
"1597972"	329.089828	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+K+HCOOH"	84.968628
"1420350"	359.121338	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+H+CF3COOH"	115.000138
"1152826"	184.607701	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+3ACN+2H"	125.094202
"1698003"	376.147885	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+NH4+CF3COOH"	132.026685
"1646777"	381.10328	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+Na+CF3COOH"	136.98208
"1581335"	397.07722	"C07522"	"Etomidate;1-(1-Phenylethyl)-imidazole-5-carboxylic acid ethyl ester"	"C14H16N2O2"	"244.1212"	"M+K+CF3COOH"	152.95602
"816077"	178.1358	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M"	0
"983048"	159.11741	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-H2O-H"	-19.01839
"73478"	117.749924	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M-3H"	-3.021828
"510850"	177.128524	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M-3H"	-3.021828
"887559"	58.371324	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-3H"	-3.021828
"12696"	177.128524	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M-2H"	-2.014552
"446788"	266.196424	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M-2H"	-2.014552
"822402"	88.060624	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-2H"	-2.014552
"88957"	355.264324	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M-H"	-1.007276
"528519"	533.400124	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M-H"	-1.007276
"907423"	177.128524	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-H"	-1.007276
"57422"	372.290871	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M-2H+NH4"	16.019271
"499170"	550.426671	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M-2H+NH4"	16.019271
"871505"	194.155071	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-2H+NH4"	16.019271
"35031"	377.246266	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M-2H+Na"	20.974666
"473498"	555.382066	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M-2H+Na"	20.974666
"858953"	199.110466	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-2H+Na"	20.974666
"1623020"	199.110466	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Na-2H"	20.974666
"98453"	195.116863	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M-H+Cl"	33.962126
"543482"	284.184763	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M-H+Cl"	33.962126
"935901"	106.048963	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-H+Cl"	33.962126
"275552"	391.241002	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+Cl"	34.969402
"666878"	569.376802	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+Cl"	34.969402
"1280373"	213.105202	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Cl"	34.969402
"24024"	393.220206	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M-2H+K"	36.948606
"462490"	571.356006	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M-2H+K"	36.948606
"836282"	215.084406	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-2H+K"	36.948606
"1560500"	215.084406	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+K-2H"	36.948606
"947288"	223.133994	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-H+HCOOH"	44.998194
"366599"	401.269801	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+HCOOH-H"	44.998201
"349391"	415.285451	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+Hac-H"	59.013851
"1497496"	237.149651	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Hac-H"	59.013851
"966862"	245.115951	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-H+NaCOOH"	66.980151
"116862"	213.105202	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+2Cl"	69.938804
"560068"	302.173102	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+2Cl"	69.938804
"1028867"	124.037302	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2Cl"	69.938804
"1246993"	257.054685	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Br"	78.918885
"1313815"	259.110672	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Cl+HCOOH"	80.974872
"1326938"	281.092629	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Cl+NaCOOH"	102.956829
"918000"	291.121386	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M-H+CF3COOH"	112.985586
"1300174"	327.098064	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Cl+CF3COOH"	148.962264
"1376149"	143.123124	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H-2H2O"	-35.012676
"1389272"	161.1331	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H-H2O"	-17.0027
"290050"	357.278876	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+H"	1.007276
"682477"	535.414676	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+H"	1.007276
"1359918"	179.143076	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H"	1.007276
"134993"	179.143076	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+2H"	2.014552
"571276"	268.210976	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+2H"	2.014552
"1039344"	90.075176	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2H"	2.014552
"204612"	119.764476	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+3H"	3.021828
"651913"	179.143076	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+3H"	3.021828
"1171133"	60.385876	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+3H"	3.021828
"428937"	374.305423	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+NH4"	18.033823
"798690"	552.441223	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+NH4"	18.033823
"1693925"	196.169623	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+NH4"	18.033823
"343298"	187.6563495	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+H+NH4"	19.041099
"734626"	276.7242495	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+H+NH4"	19.041099
"1487351"	98.5884495	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H+NH4"	19.041099
"402753"	379.260818	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+Na"	22.989218
"765933"	557.396618	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+Na"	22.989218
"1617317"	201.125018	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Na"	22.989218
"328331"	190.134047	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+H+Na"	23.996494
"721479"	279.201947	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+H+Na"	23.996494
"1475055"	101.066147	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H+Na"	23.996494
"1064655"	67.71319	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2H+Na"	25.00377
"1267427"	211.169286	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+CH3OH+H"	33.033486
"383814"	395.234758	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+K"	38.963158
"744809"	573.370558	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+K"	38.963158
"1545768"	217.098958	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+K"	38.963158
"301852"	198.121017	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+H+K"	39.970434
"699743"	287.188917	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+H+K"	39.970434
"1446271"	109.053117	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H+K"	39.970434
"238155"	398.305426	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+ACN+H"	42.033826
"1222541"	220.169626	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+ACN+H"	42.033826
"1206422"	110.588451	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+ACN+2H"	43.041102
"201848"	401.24276	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+2Na-H"	44.97116
"642983"	579.37856	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+2Na-H"	44.97116
"1145640"	223.10696	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2Na-H"	44.97116
"179096"	201.125018	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+2Na"	45.978436
"618658"	290.192918	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+2Na"	45.978436
"1123255"	112.057118	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2Na"	45.978436
"1410059"	75.040504	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H+2Na"	46.985712
"1443146"	225.148546	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H+HCOOH"	47.012746
"232961"	206.15804	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+3H2O+2H"	56.04448
"1517746"	239.20059	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+IsoProp+H"	61.06479
"417431"	209.111988	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+Na+K"	61.952376
"779521"	298.179888	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+Na+K"	61.952376
"1672571"	120.044088	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Na+K"	61.952376
"260184"	420.287368	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+ACN+Na"	64.015768
"1231799"	242.151568	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+ACN+Na"	64.015768
"1717406"	242.175093	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+NH4+HCOOH"	64.039293
"1186040"	82.367818	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+3Na"	68.967654
"1654837"	247.130488	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Na+HCOOH"	68.994688
"166805"	433.19064	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+2K-H"	76.91904
"602359"	611.32644	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+2K-H"	76.91904
"1090152"	255.05484	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2K-H"	76.91904
"146970"	217.098958	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"2M+2K"	77.926316
"593092"	306.166858	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"3M+2K"	77.926316
"1074322"	128.031058	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2K"	77.926316
"1109720"	257.069392	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2K+H"	78.933592
"1345012"	257.157007	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+DMSO+H"	79.021207
"1019860"	261.196176	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2ACN+H"	83.060376
"1538593"	262.189808	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+IsoProp+Na+H"	84.054008
"1004920"	131.101726	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+2ACN+2H"	84.067652
"1599177"	263.104428	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+K+HCOOH"	84.968628
"1428116"	293.135938	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+H+CF3COOH"	115.000138
"1155124"	151.615001	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+3ACN+2H"	125.094202
"1705769"	310.162485	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+NH4+CF3COOH"	132.026685
"1646887"	315.11788	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+Na+CF3COOH"	136.98208
"1581445"	331.09182	"C07523"	"Propofol;26-Diisopropylphenol"	"C12H18O"	"178.1358"	"M+K+CF3COOH"	152.95602
"816187"	325.0782	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M"	0
"984251"	306.05981	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-H2O-H"	-19.01839
"73586"	215.711524	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M-3H"	-3.021828
"508772"	324.070924	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M-3H"	-3.021828
"886575"	107.352124	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-3H"	-3.021828
"4059"	324.070924	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M-2H"	-2.014552
"441431"	486.610024	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M-2H"	-2.014552
"818980"	161.531824	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-2H"	-2.014552
"86516"	649.149124	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M-H"	-1.007276
"530452"	974.227324	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M-H"	-1.007276
"909599"	324.070924	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-H"	-1.007276
"55345"	666.175671	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M-2H+NH4"	16.019271
"498186"	991.253871	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M-2H+NH4"	16.019271
"871615"	341.097471	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-2H+NH4"	16.019271
"37328"	671.131066	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M-2H+Na"	20.974666
"474702"	996.209266	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M-2H+Na"	20.974666
"859064"	346.052866	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-2H+Na"	20.974666
"1625317"	346.052866	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Na-2H"	20.974666
"99657"	342.059263	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M-H+Cl"	33.962126
"543592"	504.598363	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M-H+Cl"	33.962126
"936011"	179.520163	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-H+Cl"	33.962126
"275662"	685.125802	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+Cl"	34.969402
"665895"	1010.204002	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+Cl"	34.969402
"1280483"	360.047602	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Cl"	34.969402
"23041"	687.105006	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M-2H+K"	36.948606
"462600"	1012.183206	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M-2H+K"	36.948606
"838214"	362.026806	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-2H+K"	36.948606
"1561703"	362.026806	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+K-2H"	36.948606
"947398"	370.076394	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-H+HCOOH"	44.998194
"368897"	695.154601	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+HCOOH-H"	44.998201
"352052"	709.170251	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+Hac-H"	59.013851
"1498697"	384.092051	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Hac-H"	59.013851
"965145"	392.058351	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-H+NaCOOH"	66.980151
"119157"	360.047602	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+2Cl"	69.938804
"557625"	522.586702	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+2Cl"	69.938804
"1027520"	197.508502	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2Cl"	69.938804
"1246008"	403.997085	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Br"	78.918885
"1310641"	406.053072	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Cl+HCOOH"	80.974872
"1324859"	428.035029	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Cl+NaCOOH"	102.956829
"915922"	438.063786	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M-H+CF3COOH"	112.985586
"1293724"	474.040464	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Cl+CF3COOH"	148.962264
"1370792"	290.065524	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H-2H2O"	-35.012676
"1386101"	308.0755	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H-H2O"	-17.0027
"286880"	651.163676	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+H"	1.007276
"680400"	976.241876	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+H"	1.007276
"1357841"	326.085476	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H"	1.007276
"135103"	326.085476	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+2H"	2.014552
"569200"	488.624576	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+2H"	2.014552
"1037510"	163.546376	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2H"	2.014552
"206262"	217.726076	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+3H"	3.021828
"648743"	326.085476	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+3H"	3.021828
"1170150"	109.366676	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+3H"	3.021828
"425768"	668.190223	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+NH4"	18.033823
"796613"	993.268423	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+NH4"	18.033823
"1692942"	343.112023	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+NH4"	18.033823
"343408"	334.5987495	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+H+NH4"	19.041099
"734736"	497.1378495	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+H+NH4"	19.041099
"1487461"	172.0596495	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H+NH4"	19.041099
"402863"	673.145618	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+Na"	22.989218
"762763"	998.223818	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+Na"	22.989218
"1616334"	348.067418	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Na"	22.989218
"327463"	337.076447	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+H+Na"	23.996494
"722195"	499.615547	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+H+Na"	23.996494
"1467145"	174.537347	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H+Na"	23.996494
"1062578"	116.69399	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2H+Na"	25.00377
"1263163"	358.111686	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+CH3OH+H"	33.033486
"382830"	689.119558	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+K"	38.963158
"743825"	1014.197758	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+K"	38.963158
"1543690"	364.041358	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+K"	38.963158
"301960"	345.063417	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+H+K"	39.970434
"693651"	507.602517	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+H+K"	39.970434
"1446500"	182.524317	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H+K"	39.970434
"236798"	692.190226	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+ACN+H"	42.033826
"1224232"	367.112026	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+ACN+H"	42.033826
"1208599"	184.059651	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+ACN+2H"	43.041102
"203417"	695.12756	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+2Na-H"	44.97116
"643458"	1020.20576	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+2Na-H"	44.97116
"1145386"	370.04936	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2Na-H"	44.97116
"179207"	348.067418	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+2Na"	45.978436
"619861"	510.606518	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+2Na"	45.978436
"1121178"	185.528318	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2Na"	45.978436
"1410169"	124.021304	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H+2Na"	46.985712
"1439003"	372.090946	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H+HCOOH"	47.012746
"231978"	353.10044	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+3H2O+2H"	56.04448
"1517856"	386.14299	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+IsoProp+H"	61.06479
"416448"	356.054388	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+Na+K"	61.952376
"774526"	518.593488	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+Na+K"	61.952376
"1670488"	193.515288	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Na+K"	61.952376
"258102"	714.172168	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+ACN+Na"	64.015768
"1231907"	389.093968	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+ACN+Na"	64.015768
"1717875"	389.117493	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+NH4+HCOOH"	64.039293
"1184689"	131.348618	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+3Na"	68.967654
"1653122"	394.072888	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Na+HCOOH"	68.994688
"162905"	727.07544	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+2K-H"	76.91904
"603563"	1052.15364	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+2K-H"	76.91904
"1092450"	401.99724	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2K-H"	76.91904
"152548"	364.041358	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"2M+2K"	77.926316
"592109"	526.580458	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"3M+2K"	77.926316
"1071153"	201.502258	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2K"	77.926316
"1109830"	404.011792	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2K+H"	78.933592
"1346215"	404.099407	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+DMSO+H"	79.021207
"1016933"	408.138576	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2ACN+H"	83.060376
"1537731"	409.132208	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+IsoProp+Na+H"	84.054008
"1005151"	204.572926	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+2ACN+2H"	84.067652
"1598194"	410.046828	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+K+HCOOH"	84.968628
"1426040"	440.078338	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+H+CF3COOH"	115.000138
"1155234"	225.086201	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+3ACN+2H"	125.094202
"1705879"	457.104885	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+NH4+CF3COOH"	132.026685
"1646997"	462.06028	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+Na+CF3COOH"	136.98208
"1581555"	478.03422	"C07524"	"Midazolam"	"C18H13ClFN3"	"325.0782"	"M+K+CF3COOH"	152.95602
"815933"	237.092	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M"	0
"983269"	218.07361	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-H2O-H"	-19.01839
"72605"	157.054057333333	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M-3H"	-3.021828
"513257"	236.084724	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M-3H"	-3.021828
"893247"	78.0233906666667	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-3H"	-3.021828
"4169"	236.084724	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M-2H"	-2.014552
"440686"	354.630724	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M-2H"	-2.014552
"818241"	117.538724	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-2H"	-2.014552
"84803"	473.176724	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M-H"	-1.007276
"529833"	710.268724	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M-H"	-1.007276
"909097"	236.084724	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-H"	-1.007276
"62021"	490.203271	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M-2H+NH4"	16.019271
"499392"	727.295271	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M-2H+NH4"	16.019271
"873914"	253.111271	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-2H+NH4"	16.019271
"45095"	495.158666	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M-2H+Na"	20.974666
"479187"	732.250666	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M-2H+Na"	20.974666
"858082"	258.066666	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-2H+Na"	20.974666
"1628707"	258.066666	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Na-2H"	20.974666
"101957"	254.073063	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M-H+Cl"	33.962126
"546619"	372.619063	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M-H+Cl"	33.962126
"940862"	135.527063	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-H+Cl"	33.962126
"281848"	509.153402	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+Cl"	34.969402
"669651"	746.245402	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+Cl"	34.969402
"1282780"	272.061402	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Cl"	34.969402
"26431"	511.132606	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M-2H+K"	36.948606
"464898"	748.224606	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M-2H+K"	36.948606
"842699"	274.040606	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-2H+K"	36.948606
"1562907"	274.040606	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+K-2H"	36.948606
"947509"	282.090194	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-H+HCOOH"	44.998194
"366822"	519.182201	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+HCOOH-H"	44.998201
"349249"	533.197851	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+Hac-H"	59.013851
"1498447"	296.105851	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Hac-H"	59.013851
"967082"	304.072151	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-H+NaCOOH"	66.980151
"118175"	272.061402	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+2Cl"	69.938804
"558829"	390.607402	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+2Cl"	69.938804
"1026540"	153.515402	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2Cl"	69.938804
"1243931"	316.010885	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Br"	78.918885
"1310753"	318.066872	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Cl+HCOOH"	80.974872
"1323878"	340.048829	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Cl+NaCOOH"	102.956829
"919312"	350.077586	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M-H+CF3COOH"	112.985586
"1297114"	386.054264	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Cl+CF3COOH"	148.962264
"1370900"	202.079324	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H-2H2O"	-35.012676
"1387304"	220.0893	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H-H2O"	-17.0027
"293551"	475.191276	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+H"	1.007276
"683790"	712.283276	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+H"	1.007276
"1357951"	238.099276	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H"	1.007276
"137401"	238.099276	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+2H"	2.014552
"567484"	356.645276	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+2H"	2.014552
"1039201"	119.553276	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2H"	2.014552
"205275"	159.068609333333	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+3H"	3.021828
"644958"	238.099276	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+3H"	3.021828
"1165155"	80.0379426666667	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+3H"	3.021828
"426242"	492.217823	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+NH4"	18.033823
"792350"	729.309823	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+NH4"	18.033823
"1694876"	255.125823	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+NH4"	18.033823
"343883"	246.6125495	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+H+NH4"	19.041099
"735939"	365.1585495	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+H+NH4"	19.041099
"1489757"	128.0665495	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H+NH4"	19.041099
"405159"	497.173218	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+Na"	22.989218
"763969"	734.265218	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+Na"	22.989218
"1609881"	260.081218	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Na"	22.989218
"317730"	249.090247	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+H+Na"	23.996494
"714527"	367.636247	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+H+Na"	23.996494
"1463970"	130.544247	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H+Na"	23.996494
"1057217"	87.3652566666667	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2H+Na"	25.00377
"1261083"	270.125486	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+CH3OH+H"	33.033486
"379654"	513.147158	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+K"	38.963158
"740651"	750.239158	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+K"	38.963158
"1541369"	276.055158	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+K"	38.963158
"298689"	257.077217	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+H+K"	39.970434
"691413"	375.623217	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+H+K"	39.970434
"1445770"	138.531217	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H+K"	39.970434
"236418"	516.217826	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+ACN+H"	42.033826
"1225362"	279.125826	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+ACN+H"	42.033826
"1209402"	140.066551	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+ACN+2H"	43.041102
"203285"	519.15516	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+2Na-H"	44.97116
"643451"	756.24716	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+2Na-H"	44.97116
"1146357"	282.06316	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2Na-H"	44.97116
"180410"	260.081218	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+2Na"	45.978436
"621064"	378.627218	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+2Na"	45.978436
"1118007"	141.535218	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2Na"	45.978436
"1406998"	94.6925706666667	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H+2Na"	46.985712
"1435834"	284.104746	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H+HCOOH"	47.012746
"225528"	265.11424	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+3H2O+2H"	56.04448
"1519058"	298.15679	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+IsoProp+H"	61.06479
"417651"	268.068188	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+Na+K"	61.952376
"772086"	386.614188	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+Na+K"	61.952376
"1670598"	149.522188	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Na+K"	61.952376
"257120"	538.199768	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+ACN+Na"	64.015768
"1233110"	301.107768	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+ACN+Na"	64.015768
"1717621"	301.131293	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+NH4+HCOOH"	64.039293
"1183706"	102.019884666667	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+3Na"	68.967654
"1651045"	306.086688	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Na+HCOOH"	68.994688
"159735"	551.10304	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+2K-H"	76.91904
"603673"	788.19504	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+2K-H"	76.91904
"1092560"	314.01104	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2K-H"	76.91904
"149378"	276.055158	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"2M+2K"	77.926316
"587845"	394.601158	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"3M+2K"	77.926316
"1070169"	157.509158	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2K"	77.926316
"1104471"	316.025592	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2K+H"	78.933592
"1339764"	316.113207	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+DMSO+H"	79.021207
"1014854"	320.152376	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2ACN+H"	83.060376
"1535168"	321.146008	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+IsoProp+Na+H"	84.054008
"997240"	160.579826	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+2ACN+2H"	84.067652
"1598304"	322.060628	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+K+HCOOH"	84.968628
"1421775"	352.092138	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+H+CF3COOH"	115.000138
"1157531"	181.093101	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+3ACN+2H"	125.094202
"1703802"	369.118685	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+NH4+CF3COOH"	132.026685
"1647107"	374.07408	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+Na+CF3COOH"	136.98208
"1581665"	390.04802	"C07525"	"Ketamine"	"C13H16ClNO"	"237.092"	"M+K+CF3COOH"	152.95602
"808753"	264.1838	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M"	0
"980098"	245.16541	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-H2O-H"	-19.01839
"69434"	175.115257333333	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M-3H"	-3.021828
"513368"	263.176524	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M-3H"	-3.021828
"887891"	87.0539906666667	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-3H"	-3.021828
"8652"	263.176524	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M-2H"	-2.014552
"447120"	395.268424	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M-2H"	-2.014552
"830025"	131.084624	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-2H"	-2.014552
"83820"	527.360324	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M-H"	-1.007276
"530311"	791.544124	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M-H"	-1.007276
"908114"	263.176524	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-H"	-1.007276
"62851"	544.386871	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M-2H+NH4"	16.019271
"499501"	808.570671	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M-2H+NH4"	16.019271
"871836"	280.203071	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-2H+NH4"	16.019271
"45450"	549.342266	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M-2H+Na"	20.974666
"478204"	813.526066	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M-2H+Na"	20.974666
"854912"	285.158466	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-2H+Na"	20.974666
"1628818"	285.158466	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Na-2H"	20.974666
"104254"	281.164863	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M-H+Cl"	33.962126
"541627"	413.256763	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M-H+Cl"	33.962126
"935141"	149.072963	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-H+Cl"	33.962126
"281351"	563.337002	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+Cl"	34.969402
"670126"	827.520802	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+Cl"	34.969402
"1281435"	299.153202	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Cl"	34.969402
"26907"	565.316206	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M-2H+K"	36.948606
"465009"	829.500006	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M-2H+K"	36.948606
"842810"	301.132406	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-2H+K"	36.948606
"1565204"	301.132406	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+K-2H"	36.948606
"950899"	309.181994	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-H+HCOOH"	44.998194
"364745"	573.365801	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+HCOOH-H"	44.998201
"349721"	587.381451	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+Hac-H"	59.013851
"1497463"	323.197651	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Hac-H"	59.013851
"968286"	331.163951	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-H+NaCOOH"	66.980151
"118286"	299.153202	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+2Cl"	69.938804
"555658"	431.245102	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+2Cl"	69.938804
"1025554"	167.061302	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2Cl"	69.938804
"1245135"	343.102685	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Br"	78.918885
"1310864"	345.158672	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Cl+HCOOH"	80.974872
"1321801"	367.140629	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Cl+NaCOOH"	102.956829
"913954"	377.169386	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M-H+CF3COOH"	112.985586
"1291756"	413.146064	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Cl+CF3COOH"	148.962264
"1369187"	229.171124	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H-2H2O"	-35.012676
"1384498"	247.1811	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H-H2O"	-17.0027
"290380"	529.374876	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+H"	1.007276
"680613"	793.558676	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+H"	1.007276
"1352592"	265.191076	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H"	1.007276
"135323"	265.191076	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+2H"	2.014552
"566865"	397.282976	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+2H"	2.014552
"1038216"	133.099176	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2H"	2.014552
"204442"	177.129809333333	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+3H"	3.021828
"644948"	265.191076	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+3H"	3.021828
"1166722"	89.0685426666667	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+3H"	3.021828
"427444"	546.401423	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+NH4"	18.033823
"797927"	810.585223	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+NH4"	18.033823
"1689884"	282.217623	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+NH4"	18.033823
"342535"	273.7043495	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+H+NH4"	19.041099
"733862"	405.7962495	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+H+NH4"	19.041099
"1486586"	141.6124495	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H+NH4"	19.041099
"403083"	551.356818	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+Na"	22.989218
"764078"	815.540618	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+Na"	22.989218
"1612179"	287.173018	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Na"	22.989218
"317841"	276.182047	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+H+Na"	23.996494
"714637"	408.273947	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+H+Na"	23.996494
"1466271"	144.090147	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H+Na"	23.996494
"1060609"	96.3958566666667	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2H+Na"	25.00377
"1263381"	297.217286	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+CH3OH+H"	33.033486
"379768"	567.330758	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+K"	38.963158
"741491"	831.514558	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+K"	38.963158
"1543180"	303.146958	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+K"	38.963158
"298645"	284.169017	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+H+K"	39.970434
"692048"	416.260917	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+H+K"	39.970434
"1445861"	152.077117	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H+K"	39.970434
"236417"	570.401426	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+ACN+H"	42.033826
"1225526"	306.217626	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+ACN+H"	42.033826
"1209883"	153.612451	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+ACN+2H"	43.041102
"203970"	573.33876	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+2Na-H"	44.97116
"643774"	837.52256	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+2Na-H"	44.97116
"1145254"	309.15496	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2Na-H"	44.97116
"181613"	287.173018	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+2Na"	45.978436
"618986"	419.264918	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+2Na"	45.978436
"1122491"	155.081118	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2Na"	45.978436
"1406015"	103.723170666667	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H+2Na"	46.985712
"1437037"	311.196546	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H+HCOOH"	47.012746
"225639"	292.20604	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+3H2O+2H"	56.04448
"1516982"	325.24859	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+H"	61.06479
"418855"	295.159988	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+Na+K"	61.952376
"776571"	427.251888	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+Na+K"	61.952376
"1673995"	163.068088	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Na+K"	61.952376
"260516"	592.383368	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+ACN+Na"	64.015768
"1233223"	328.199568	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+ACN+Na"	64.015768
"1719922"	328.223093	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+NH4+HCOOH"	64.039293
"1184183"	111.050484666667	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+3Na"	68.967654
"1656264"	333.178488	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Na+HCOOH"	68.994688
"168595"	605.28664	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+2K-H"	76.91904
"607063"	869.47044	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+2K-H"	76.91904
"1090482"	341.10284	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2K-H"	76.91904
"150581"	303.146958	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"2M+2K"	77.926316
"586861"	435.238858	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"3M+2K"	77.926316
"1074651"	171.055058	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2K"	77.926316
"1106767"	343.117392	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2K+H"	78.933592
"1336831"	343.205007	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+DMSO+H"	79.021207
"1011682"	347.244176	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2ACN+H"	83.060376
"1529807"	348.237808	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+Na+H"	84.054008
"997348"	174.125726	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+2ACN+2H"	84.067652
"1598413"	349.152428	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+K+HCOOH"	84.968628
"1424073"	379.183938	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+H+CF3COOH"	115.000138
"1153267"	194.639001	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+3ACN+2H"	125.094202
"1698808"	396.210485	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+NH4+CF3COOH"	132.026685
"1640656"	401.16588	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+Na+CF3COOH"	136.98208
"1581775"	417.13982	"C07526"	"Tetracaine;Amethocaine"	"C15H24N2O2"	"264.1838"	"M+K+CF3COOH"	152.95602
"811050"	165.079	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M"	0
"980208"	146.06061	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"69543"	109.045390666667	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"511291"	164.071724	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"889095"	54.0190573333333	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"7670"	164.071724	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"449417"	246.611224	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"829771"	81.532224	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"86117"	329.150724	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"531514"	494.229724	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"906765"	164.071724	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"62714"	346.177271	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"499611"	511.256271	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"871946"	181.098271	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"43129"	351.132666	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"478314"	516.211666	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"855022"	186.053666	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1628928"	186.053666	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"104364"	182.060063	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"538455"	264.599563	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"929784"	99.520563	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"279274"	365.127402	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"667320"	530.206402	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1282637"	200.048402	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"27382"	367.106606	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"467303"	532.185606	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"842189"	202.027606	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1567868"	202.027606	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"952103"	210.077194	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"365583"	375.156201	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"349830"	389.171851	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1495750"	224.092851	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"968396"	232.059151	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"116210"	200.048402	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"554676"	282.587902	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1028944"	117.508902	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1244880"	243.997885	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1314254"	246.053872	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1324098"	268.035829	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"914063"	278.064586	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1291135"	314.041264	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1371120"	130.066324	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1384972"	148.0763	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"293770"	331.165276	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"681816"	496.244276	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1357077"	166.086276	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"137620"	166.086276	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"566976"	248.625776	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1037475"	83.546776	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"204322"	111.059942666667	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"644451"	166.086276	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1162789"	56.0336093333333	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"427191"	348.191823	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"799130"	513.270823	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1689994"	183.112823	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"341552"	174.5995495	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"735065"	257.1390495	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1487789"	92.0600495	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"404285"	353.147218	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"764188"	518.226218	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1612289"	188.068218	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"317951"	177.077247	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"715840"	259.616747	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1466381"	94.537747	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1059627"	63.3609233333333	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1264584"	198.112486	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"378419"	369.121158	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"741237"	534.200158	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1542561"	204.042158	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"298641"	185.064217	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"691588"	267.603717	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1445846"	102.524717	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"235906"	372.191826	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1224891"	207.112826	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1209421"	104.060051	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"204212"	375.12916	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"644198"	540.20816	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1147013"	210.05016	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"178444"	188.068218	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"619096"	270.607718	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1120416"	105.528718	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1405032"	70.6882373333333	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1437148"	212.091746	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"225749"	193.10124	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1515999"	226.14379	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"418965"	196.055188	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"777774"	278.594688	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1677385"	113.515688	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"261720"	394.173768	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1233333"	229.094768	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1720032"	229.118293	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1185387"	78.0155513333333	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1656374"	234.073688	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"167611"	407.07704	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"607173"	572.15604	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1089499"	241.99804	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"150691"	204.042158	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"586971"	286.581658	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1072575"	121.502658	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1105784"	244.012592	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1337794"	244.100207	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1008876"	248.139376	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1528094"	249.133008	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"1000740"	124.573326	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1596336"	250.047628	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1418715"	280.079138	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1152284"	145.086601	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1698554"	297.105685	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1637486"	302.06108	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1581885"	318.03502	"C07527"	"Benzocaine;Ethyl aminobenzoate"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"816594"	246.1732	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M"	0
"983598"	227.15481	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-H2O-H"	-19.01839
"74028"	163.108190666667	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M-3H"	-3.021828
"513587"	245.165924	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M-3H"	-3.021828
"892121"	81.0504573333333	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-3H"	-3.021828
"11060"	245.165924	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M-2H"	-2.014552
"447338"	368.252524	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M-2H"	-2.014552
"829517"	122.079324	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-2H"	-2.014552
"90603"	491.339124	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M-H"	-1.007276
"533941"	737.512324	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M-H"	-1.007276
"910528"	245.165924	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-H"	-1.007276
"62236"	508.365671	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M-2H+NH4"	16.019271
"498629"	754.538871	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M-2H+NH4"	16.019271
"877281"	262.192471	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-2H+NH4"	16.019271
"42146"	513.321066	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M-2H+Na"	20.974666
"478426"	759.494266	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M-2H+Na"	20.974666
"857319"	267.147866	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-2H+Na"	20.974666
"1631226"	267.147866	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Na-2H"	20.974666
"106661"	263.154263	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M-H+Cl"	33.962126
"542942"	386.240863	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M-H+Cl"	33.962126
"940344"	140.067663	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-H+Cl"	33.962126
"279385"	527.315802	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+Cl"	34.969402
"673630"	773.489002	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+Cl"	34.969402
"1286636"	281.142602	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Cl"	34.969402
"28951"	529.295006	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M-2H+K"	36.948606
"466322"	775.468206	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M-2H+K"	36.948606
"841939"	283.121806	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-2H+K"	36.948606
"1562146"	283.121806	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+K-2H"	36.948606
"954035"	291.171394	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-H+HCOOH"	44.998194
"367155"	537.344601	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+HCOOH-H"	44.998201
"349945"	551.360251	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+Hac-H"	59.013851
"1497684"	305.187051	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Hac-H"	59.013851
"968872"	313.153351	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-H+NaCOOH"	66.980151
"118507"	281.142602	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+2Cl"	69.938804
"556973"	404.229202	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+2Cl"	69.938804
"1027596"	158.056002	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2Cl"	69.938804
"1247543"	325.092085	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Br"	78.918885
"1314365"	327.148072	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Cl+HCOOH"	80.974872
"1327488"	349.130029	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Cl+NaCOOH"	102.956829
"916361"	359.158786	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M-H+CF3COOH"	112.985586
"1294163"	395.135464	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Cl+CF3COOH"	148.962264
"1376698"	211.160524	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H-2H2O"	-35.012676
"1389822"	229.1705	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H-H2O"	-17.0027
"293881"	493.353676	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+H"	1.007276
"687397"	739.526876	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+H"	1.007276
"1360468"	247.180476	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H"	1.007276
"137730"	247.180476	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+2H"	2.014552
"571826"	370.267076	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+2H"	2.014552
"1042812"	124.093876	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2H"	2.014552
"206703"	165.122742666667	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+3H"	3.021828
"647354"	247.180476	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+3H"	3.021828
"1165485"	83.0650093333333	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+3H"	3.021828
"427301"	510.380223	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+NH4"	18.033823
"800823"	756.553423	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+NH4"	18.033823
"1696303"	264.207023	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+NH4"	18.033823
"344705"	255.6937495	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+H+NH4"	19.041099
"737242"	378.7803495	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+H+NH4"	19.041099
"1488993"	132.6071495	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H+NH4"	19.041099
"401115"	515.335618	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+Na"	22.989218
"765757"	761.508818	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+Na"	22.989218
"1616049"	269.162418	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Na"	22.989218
"322435"	258.171447	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+H+Na"	23.996494
"718137"	381.258047	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+H+Na"	23.996494
"1473052"	135.084847	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H+Na"	23.996494
"1066297"	90.3923233333333	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2H+Na"	25.00377
"1263602"	279.206686	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+CH3OH+H"	33.033486
"382175"	531.309558	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+K"	38.963158
"744264"	777.482758	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+K"	38.963158
"1546318"	285.136358	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+K"	38.963158
"302401"	266.158417	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+H+K"	39.970434
"692634"	389.245017	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+H+K"	39.970434
"1447544"	143.071817	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H+K"	39.970434
"236267"	534.380226	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+ACN+H"	42.033826
"1221992"	288.207026	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+ACN+H"	42.033826
"1209807"	144.607151	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+ACN+2H"	43.041102
"203000"	537.31756	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+2Na-H"	44.97116
"641588"	783.49076	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+2Na-H"	44.97116
"1146196"	291.14436	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2Na-H"	44.97116
"177461"	269.162418	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+2Na"	45.978436
"617020"	392.249018	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+2Na"	45.978436
"1119432"	146.075818	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2Na"	45.978436
"1404050"	97.7196373333333	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H+2Na"	46.985712
"1433976"	293.185946	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H+HCOOH"	47.012746
"224767"	274.19544	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+3H2O+2H"	56.04448
"1518295"	307.23799	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+IsoProp+H"	61.06479
"418344"	277.149388	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+Na+K"	61.952376
"773511"	400.235988	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+Na+K"	61.952376
"1672029"	154.062788	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Na+K"	61.952376
"261830"	556.362168	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+ACN+Na"	64.015768
"1236726"	310.188968	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+ACN+Na"	64.015768
"1722331"	310.212493	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+NH4+HCOOH"	64.039293
"1187317"	105.046951333333	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+3Na"	68.967654
"1658306"	315.167888	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Na+HCOOH"	68.994688
"162253"	569.26544	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+2K-H"	76.91904
"610565"	815.43864	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+2K-H"	76.91904
"1096172"	323.09224	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2K-H"	76.91904
"146425"	285.136358	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"2M+2K"	77.926316
"585985"	408.222958	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"3M+2K"	77.926316
"1072686"	162.049758	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2K"	77.926316
"1105896"	325.106792	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2K+H"	78.933592
"1337296"	325.194407	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+DMSO+H"	79.021207
"1008987"	329.233576	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2ACN+H"	83.060376
"1533309"	330.227208	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+IsoProp+Na+H"	84.054008
"1000850"	165.120426	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+2ACN+2H"	84.067652
"1592073"	331.141828	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+K+HCOOH"	84.968628
"1422106"	361.173338	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+H+CF3COOH"	115.000138
"1152394"	185.633701	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+3ACN+2H"	125.094202
"1703039"	378.199885	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+NH4+CF3COOH"	132.026685
"1644157"	383.15528	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+Na+CF3COOH"	136.98208
"1581995"	399.12922	"C07528"	"Mepivacaine"	"C15H22N2O"	"246.1732"	"M+K+CF3COOH"	152.95602
"816373"	288.2202	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M"	0
"980429"	269.20181	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-H2O-H"	-19.01839
"73045"	191.139524	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M-3H"	-3.021828
"511511"	287.212924	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M-3H"	-3.021828
"890409"	95.066124	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-3H"	-3.021828
"11170"	287.212924	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M-2H"	-2.014552
"445261"	431.323024	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M-2H"	-2.014552
"828532"	143.102824	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-2H"	-2.014552
"87430"	575.433124	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M-H"	-1.007276
"532838"	863.653324	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M-H"	-1.007276
"909667"	287.212924	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-H"	-1.007276
"60276"	592.459671	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M-2H+NH4"	16.019271
"499591"	880.679871	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M-2H+NH4"	16.019271
"874353"	304.239471	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-2H+NH4"	16.019271
"42256"	597.415066	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M-2H+Na"	20.974666
"480722"	885.635266	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M-2H+Na"	20.974666
"857429"	309.194866	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-2H+Na"	20.974666
"1630244"	309.194866	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Na-2H"	20.974666
"107502"	305.201263	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M-H+Cl"	33.962126
"545238"	449.311363	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M-H+Cl"	33.962126
"939482"	161.091163	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-H+Cl"	33.962126
"279496"	611.409802	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+Cl"	34.969402
"673989"	899.630002	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+Cl"	34.969402
"1285412"	323.189602	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Cl"	34.969402
"29060"	613.389006	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M-2H+K"	36.948606
"468618"	901.609206	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M-2H+K"	36.948606
"842049"	325.168806	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-2H+K"	36.948606
"1563349"	325.168806	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+K-2H"	36.948606
"954147"	333.218394	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-H+HCOOH"	44.998194
"366170"	621.438601	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+HCOOH-H"	44.998201
"351150"	635.454251	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+Hac-H"	59.013851
"1501805"	347.234051	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Hac-H"	59.013851
"968253"	355.200351	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-H+NaCOOH"	66.980151
"118253"	323.189602	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+2Cl"	69.938804
"556352"	467.299702	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+2Cl"	69.938804
"1029168"	179.079502	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2Cl"	69.938804
"1250933"	367.139085	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Br"	78.918885
"1317755"	369.195072	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Cl+HCOOH"	80.974872
"1329785"	391.177029	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Cl+NaCOOH"	102.956829
"920844"	401.205786	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M-H+CF3COOH"	112.985586
"1295366"	437.182464	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Cl+CF3COOH"	148.962264
"1380088"	253.207524	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H-2H2O"	-35.012676
"1392119"	271.2175	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H-H2O"	-17.0027
"292899"	577.447676	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+H"	1.007276
"687507"	865.667876	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+H"	1.007276
"1362765"	289.227476	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H"	1.007276
"137841"	289.227476	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+2H"	2.014552
"571936"	433.337576	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+2H"	2.014552
"1041829"	145.117376	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2H"	2.014552
"208269"	193.154076	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+3H"	3.021828
"647829"	289.227476	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+3H"	3.021828
"1165230"	97.080676	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+3H"	3.021828
"429600"	594.474223	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+NH4"	18.033823
"800079"	882.694423	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+NH4"	18.033823
"1696289"	306.254023	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+NH4"	18.033823
"345054"	297.7407495	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+H+NH4"	19.041099
"736745"	441.8508495	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+H+NH4"	19.041099
"1488012"	153.6306495	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H+NH4"	19.041099
"397945"	599.429618	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+Na"	22.989218
"763314"	887.649818	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+Na"	22.989218
"1616764"	311.209418	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Na"	22.989218
"321452"	300.218447	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+H+Na"	23.996494
"718247"	444.328547	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+H+Na"	23.996494
"1473162"	156.108347	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H+Na"	23.996494
"1065314"	104.40799	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2H+Na"	25.00377
"1264806"	321.253686	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+CH3OH+H"	33.033486
"381192"	615.403558	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+K"	38.963158
"743281"	903.623758	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+K"	38.963158
"1546428"	327.183358	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+K"	38.963158
"306885"	308.205417	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+H+K"	39.970434
"693471"	452.315517	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+H+K"	39.970434
"1446319"	164.095317	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H+K"	39.970434
"236864"	618.474226	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+ACN+H"	42.033826
"1222466"	330.254026	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+ACN+H"	42.033826
"1204526"	165.630651	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+ACN+2H"	43.041102
"202867"	621.41156	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+2Na-H"	44.97116
"643770"	909.63176	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+2Na-H"	44.97116
"1146309"	333.19136	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2Na-H"	44.97116
"178665"	311.209418	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+2Na"	45.978436
"621141"	455.319518	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+2Na"	45.978436
"1120636"	167.099318	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2Na"	45.978436
"1405618"	111.735304	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H+2Na"	46.985712
"1437003"	335.232946	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H+HCOOH"	47.012746
"228157"	316.24244	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+3H2O+2H"	56.04448
"1519134"	349.28499	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+IsoProp+H"	61.06479
"420278"	319.196388	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+Na+K"	61.952376
"775808"	463.306488	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+Na+K"	61.952376
"1676149"	175.086288	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Na+K"	61.952376
"260844"	640.456168	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+ACN+Na"	64.015768
"1235377"	352.235968	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+ACN+Na"	64.015768
"1723171"	352.259493	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+NH4+HCOOH"	64.039293
"1185970"	119.062618	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+3Na"	68.967654
"1659144"	357.214888	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Na+HCOOH"	68.994688
"162363"	653.35944	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+2K-H"	76.91904
"608488"	941.57964	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+2K-H"	76.91904
"1096282"	365.13924	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2K-H"	76.91904
"148722"	327.183358	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"2M+2K"	77.926316
"589376"	471.293458	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"3M+2K"	77.926316
"1073890"	183.073258	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2K"	77.926316
"1107101"	367.153792	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2K+H"	78.933592
"1343484"	367.241407	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+DMSO+H"	79.021207
"1014202"	371.280576	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2ACN+H"	83.060376
"1533422"	372.274208	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+IsoProp+Na+H"	84.054008
"1003149"	186.143926	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+2ACN+2H"	84.067652
"1596557"	373.188828	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+K+HCOOH"	84.968628
"1422216"	403.220338	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+H+CF3COOH"	115.000138
"1152504"	206.657201	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+3ACN+2H"	125.094202
"1703149"	420.246885	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+NH4+CF3COOH"	132.026685
"1644267"	425.20228	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+Na+CF3COOH"	136.98208
"1582105"	441.17622	"C07529"	"Bupivacaine;Marcaine"	"C18H28N2O"	"288.2202"	"M+K+CF3COOH"	152.95602
"815753"	276.2202	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M"	0
"986005"	257.20181	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-H2O-H"	-19.01839
"75341"	183.139524	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M-3H"	-3.021828
"512714"	275.212924	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M-3H"	-3.021828
"894893"	91.066124	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-3H"	-3.021828
"11279"	275.212924	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M-2H"	-2.014552
"446464"	413.323024	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M-2H"	-2.014552
"817456"	137.102824	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-2H"	-2.014552
"88633"	551.433124	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M-H"	-1.007276
"531113"	827.653324	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M-H"	-1.007276
"910377"	275.212924	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-H"	-1.007276
"62337"	568.459671	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M-2H+NH4"	16.019271
"501407"	844.679871	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M-2H+NH4"	16.019271
"878481"	292.239471	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-2H+NH4"	16.019271
"45528"	573.415066	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M-2H+Na"	20.974666
"483020"	849.635266	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M-2H+Na"	20.974666
"861549"	297.194866	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-2H+Na"	20.974666
"1629259"	297.194866	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Na-2H"	20.974666
"106518"	293.201263	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M-H+Cl"	33.962126
"547902"	431.311363	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M-H+Cl"	33.962126
"940686"	155.091163	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-H+Cl"	33.962126
"277419"	587.409802	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+Cl"	34.969402
"674214"	863.630002	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+Cl"	34.969402
"1287344"	311.189602	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Cl"	34.969402
"26983"	589.389006	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M-2H+K"	36.948606
"465448"	865.609206	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M-2H+K"	36.948606
"837782"	313.168806	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-2H+K"	36.948606
"1560178"	313.168806	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+K-2H"	36.948606
"950248"	321.218394	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-H+HCOOH"	44.998194
"362999"	597.438601	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+HCOOH-H"	44.998201
"350166"	611.454251	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+Hac-H"	59.013851
"1497903"	335.234051	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Hac-H"	59.013851
"965083"	343.200351	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-H+NaCOOH"	66.980151
"117269"	311.189602	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+2Cl"	69.938804
"553912"	449.299702	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+2Cl"	69.938804
"1030004"	173.079502	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2Cl"	69.938804
"1250677"	355.139085	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Br"	78.918885
"1312397"	357.195072	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Cl+HCOOH"	80.974872
"1328801"	379.177029	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Cl+NaCOOH"	102.956829
"917672"	389.205786	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M-H+CF3COOH"	112.985586
"1297661"	425.182464	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Cl+CF3COOH"	148.962264
"1376917"	241.207524	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H-2H2O"	-35.012676
"1388946"	259.2175	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H-H2O"	-17.0027
"286446"	553.447676	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+H"	1.007276
"678868"	829.667876	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+H"	1.007276
"1356315"	277.227476	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H"	1.007276
"134670"	277.227476	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+2H"	2.014552
"570223"	415.337576	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+2H"	2.014552
"1042303"	139.117376	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2H"	2.014552
"208377"	185.154076	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+3H"	3.021828
"646117"	277.227476	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+3H"	3.021828
"1166797"	93.080676	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+3H"	3.021828
"430074"	570.474223	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+NH4"	18.033823
"801205"	846.694423	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+NH4"	18.033823
"1696974"	294.254023	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+NH4"	18.033823
"345372"	285.7407495	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+H+NH4"	19.041099
"738280"	423.8508495	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+H+NH4"	19.041099
"1492726"	147.6306495	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H+NH4"	19.041099
"402429"	575.429618	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+Na"	22.989218
"767798"	851.649818	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+Na"	22.989218
"1617721"	299.209418	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Na"	22.989218
"324842"	288.218447	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+H+Na"	23.996494
"718357"	426.328547	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+H+Na"	23.996494
"1475097"	150.108347	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H+Na"	23.996494
"1067981"	100.40799	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2H+Na"	25.00377
"1269290"	309.253686	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+CH3OH+H"	33.033486
"385678"	591.403558	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+K"	38.963158
"744485"	867.623758	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+K"	38.963158
"1549820"	315.183358	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+K"	38.963158
"303716"	296.205417	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+H+K"	39.970434
"695043"	434.315517	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+H+K"	39.970434
"1448863"	158.095317	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H+K"	39.970434
"247311"	594.474226	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+ACN+H"	42.033826
"1224766"	318.254026	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+ACN+H"	42.033826
"1209787"	159.630651	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+ACN+2H"	43.041102
"201884"	597.41156	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+2Na-H"	44.97116
"643510"	873.63176	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+2Na-H"	44.97116
"1145678"	321.19136	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2Na-H"	44.97116
"180962"	299.209418	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+2Na"	45.978436
"624532"	437.319518	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+2Na"	45.978436
"1124392"	161.099318	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2Na"	45.978436
"1408644"	107.735304	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H+2Na"	46.985712
"1441124"	323.232946	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H+HCOOH"	47.012746
"230455"	304.24244	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+3H2O+2H"	56.04448
"1522526"	337.28499	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+IsoProp+H"	61.06479
"422214"	307.196388	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+Na+K"	61.952376
"782845"	445.306488	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+Na+K"	61.952376
"1678816"	169.086288	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Na+K"	61.952376
"265333"	616.456168	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+ACN+Na"	64.015768
"1238766"	340.235968	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+ACN+Na"	64.015768
"1724010"	340.259493	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+NH4+HCOOH"	64.039293
"1189727"	115.062618	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+3Na"	68.967654
"1663630"	345.214888	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Na+HCOOH"	68.994688
"168307"	629.35944	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+2K-H"	76.91904
"609693"	905.57964	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+2K-H"	76.91904
"1096393"	353.13924	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2K-H"	76.91904
"151019"	315.183358	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"2M+2K"	77.926316
"592766"	453.293458	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"3M+2K"	77.926316
"1075093"	177.073258	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2K"	77.926316
"1102107"	355.153792	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2K+H"	78.933592
"1342501"	355.241407	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+DMSO+H"	79.021207
"1011032"	359.280576	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2ACN+H"	83.060376
"1530251"	360.274208	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+IsoProp+Na+H"	84.054008
"999978"	180.143926	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+2ACN+2H"	84.067652
"1595574"	361.188828	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+K+HCOOH"	84.968628
"1422326"	391.220338	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+H+CF3COOH"	115.000138
"1155894"	200.657201	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+3ACN+2H"	125.094202
"1703259"	408.246885	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+NH4+CF3COOH"	132.026685
"1644377"	413.20228	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+Na+CF3COOH"	136.98208
"1582215"	429.17622	"C07530"	"Etidocaine"	"C17H28N2O"	"276.2202"	"M+K+CF3COOH"	152.95602
"812583"	220.1576	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M"	0
"979554"	201.13921	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-H2O-H"	-19.01839
"71076"	145.764457333333	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M-3H"	-3.021828
"506263"	219.150324	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M-3H"	-3.021828
"894762"	72.3785906666667	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-3H"	-3.021828
"13576"	219.150324	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M-2H"	-2.014552
"447669"	329.229124	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M-2H"	-2.014552
"820003"	109.071524	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-2H"	-2.014552
"88743"	439.307924	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M-H"	-1.007276
"532926"	659.465524	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M-H"	-1.007276
"903925"	219.150324	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-H"	-1.007276
"59401"	456.334471	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M-2H+NH4"	16.019271
"501877"	676.492071	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M-2H+NH4"	16.019271
"878219"	236.176871	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-2H+NH4"	16.019271
"43205"	461.289866	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M-2H+Na"	20.974666
"478755"	681.447466	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M-2H+Na"	20.974666
"858743"	241.132266	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-2H+Na"	20.974666
"1628276"	241.132266	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Na-2H"	20.974666
"105899"	237.138663	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M-H+Cl"	33.962126
"547281"	347.217463	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M-H+Cl"	33.962126
"938973"	127.059863	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-H+Cl"	33.962126
"276435"	475.284602	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+Cl"	34.969402
"671041"	695.442202	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+Cl"	34.969402
"1282349"	255.127002	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Cl"	34.969402
"20530"	477.263806	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M-2H+K"	36.948606
"457904"	697.421406	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M-2H+K"	36.948606
"835706"	257.106206	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-2H+K"	36.948606
"1559195"	257.106206	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+K-2H"	36.948606
"948171"	265.155794	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-H+HCOOH"	44.998194
"366391"	485.313401	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+HCOOH-H"	44.998201
"351371"	499.329051	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+Hac-H"	59.013851
"1501296"	279.171451	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Hac-H"	59.013851
"964462"	287.137751	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-H+NaCOOH"	66.980151
"112275"	255.127002	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+2Cl"	69.938804
"557297"	365.205802	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+2Cl"	69.938804
"1029385"	145.048202	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2Cl"	69.938804
"1254069"	299.076485	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Br"	78.918885
"1318707"	301.132472	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Cl+HCOOH"	80.974872
"1331829"	323.114429	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Cl+NaCOOH"	102.956829
"919972"	333.143186	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M-H+CF3COOH"	112.985586
"1303728"	369.119864	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Cl+CF3COOH"	148.962264
"1373748"	185.144924	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H-2H2O"	-35.012676
"1389056"	203.1549	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H-H2O"	-17.0027
"287649"	441.322476	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+H"	1.007276
"678978"	661.480076	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+H"	1.007276
"1365177"	221.164876	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H"	1.007276
"140857"	221.164876	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+2H"	2.014552
"573249"	331.243676	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+2H"	2.014552
"1043143"	111.086076	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2H"	2.014552
"208128"	147.779009333333	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+3H"	3.021828
"646225"	221.164876	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+3H"	3.021828
"1169096"	74.3931426666667	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+3H"	3.021828
"435291"	458.349023	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+NH4"	18.033823
"801111"	678.506623	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+NH4"	18.033823
"1696515"	238.191423	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+NH4"	18.033823
"344914"	229.6781495	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+H+NH4"	19.041099
"738223"	339.7569495	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+H+NH4"	19.041099
"1491395"	119.5993495	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H+NH4"	19.041099
"407645"	463.304418	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+Na"	22.989218
"764628"	683.462018	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+Na"	22.989218
"1618354"	243.146818	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Na"	22.989218
"324952"	232.155847	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+H+Na"	23.996494
"718467"	342.234647	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+H+Na"	23.996494
"1471195"	122.077047	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H+Na"	23.996494
"1068470"	81.7204566666667	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2H+Na"	25.00377
"1272280"	253.191086	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+CH3OH+H"	33.033486
"389068"	479.278358	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+K"	38.963158
"744596"	699.435958	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+K"	38.963158
"1552117"	259.120758	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+K"	38.963158
"303826"	240.142817	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+H+K"	39.970434
"697341"	350.221617	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+H+K"	39.970434
"1451162"	130.064017	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H+K"	39.970434
"245236"	482.349026	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+ACN+H"	42.033826
"1225296"	262.191426	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+ACN+H"	42.033826
"1209744"	131.599351	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+ACN+2H"	43.041102
"204193"	485.28636	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+2Na-H"	44.97116
"643870"	705.44396	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+2Na-H"	44.97116
"1146568"	265.12876	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2Na-H"	44.97116
"187630"	243.146818	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+2Na"	45.978436
"621727"	353.225618	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+2Na"	45.978436
"1125230"	133.068018	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2Na"	45.978436
"1408754"	89.0477706666667	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H+2Na"	46.985712
"1439774"	267.170346	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H+HCOOH"	47.012746
"231658"	248.17984	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+3H2O+2H"	56.04448
"1520448"	281.22239	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+IsoProp+H"	61.06479
"421597"	251.133788	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+Na+K"	61.952376
"782593"	361.212588	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+Na+K"	61.952376
"1676732"	141.054988	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Na+K"	61.952376
"258875"	504.330968	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+ACN+Na"	64.015768
"1234500"	284.173368	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+ACN+Na"	64.015768
"1725577"	284.196893	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+NH4+HCOOH"	64.039293
"1188014"	96.3750846666667	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+3Na"	68.967654
"1663739"	289.152288	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Na+HCOOH"	68.994688
"169145"	517.23424	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+2K-H"	76.91904
"607615"	737.39184	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+2K-H"	76.91904
"1095410"	297.07664	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2K-H"	76.91904
"151129"	259.120758	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"2M+2K"	77.926316
"593970"	369.199558	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"3M+2K"	77.926316
"1074110"	149.041958	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2K"	77.926316
"1104041"	299.091192	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2K+H"	78.933592
"1337508"	299.178807	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+DMSO+H"	79.021207
"1012237"	303.217976	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2ACN+H"	83.060376
"1533642"	304.211608	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+IsoProp+Na+H"	84.054008
"1001181"	152.112626	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+2ACN+2H"	84.067652
"1595684"	305.126228	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+K+HCOOH"	84.968628
"1421343"	335.157738	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+H+CF3COOH"	115.000138
"1156004"	172.625901	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+3ACN+2H"	125.094202
"1703369"	352.184285	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+NH4+CF3COOH"	132.026685
"1644487"	357.13968	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+Na+CF3COOH"	136.98208
"1582325"	373.11362	"C07531"	"Prilocaine"	"C13H20N2O"	"220.1576"	"M+K+CF3COOH"	152.95602
"814880"	274.2045	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M"	0
"982944"	255.18611	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-H2O-H"	-19.01839
"71186"	181.795724	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M-3H"	-3.021828
"506373"	273.197224	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M-3H"	-3.021828
"894018"	90.394224	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-3H"	-3.021828
"12593"	273.197224	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M-2H"	-2.014552
"447779"	410.299474	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M-2H"	-2.014552
"820113"	136.094974	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-2H"	-2.014552
"83020"	547.401724	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M-H"	-1.007276
"532914"	821.606224	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M-H"	-1.007276
"910480"	273.197224	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-H"	-1.007276
"61214"	564.428271	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M-2H+NH4"	16.019271
"502233"	838.632771	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M-2H+NH4"	16.019271
"879671"	290.223771	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-2H+NH4"	16.019271
"45261"	569.383666	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M-2H+Na"	20.974666
"478865"	843.588166	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M-2H+Na"	20.974666
"860677"	295.179166	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-2H+Na"	20.974666
"1630212"	295.179166	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Na-2H"	20.974666
"106740"	291.185563	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M-H+Cl"	33.962126
"547756"	428.287813	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M-H+Cl"	33.962126
"938719"	154.083313	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-H+Cl"	33.962126
"274358"	583.378402	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+Cl"	34.969402
"670058"	857.582902	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+Cl"	34.969402
"1282459"	309.173902	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Cl"	34.969402
"21733"	585.357606	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M-2H+K"	36.948606
"460200"	859.562106	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M-2H+K"	36.948606
"837272"	311.153106	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-2H+K"	36.948606
"1560399"	311.153106	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+K-2H"	36.948606
"945001"	319.202694	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-H+HCOOH"	44.998194
"366501"	593.407201	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+HCOOH-H"	44.998201
"351481"	607.422851	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+Hac-H"	59.013851
"1502135"	333.218351	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Hac-H"	59.013851
"964572"	341.184651	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-H+NaCOOH"	66.980151
"111291"	309.173902	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+2Cl"	69.938804
"554128"	446.276152	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+2Cl"	69.938804
"1026215"	172.071652	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2Cl"	69.938804
"1253086"	353.123385	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Br"	78.918885
"1318453"	355.179372	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Cl+HCOOH"	80.974872
"1334855"	377.161329	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Cl+NaCOOH"	102.956829
"925550"	387.190086	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M-H+CF3COOH"	112.985586
"1303959"	423.166764	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Cl+CF3COOH"	148.962264
"1381512"	239.191824	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H-2H2O"	-35.012676
"1391354"	257.2018	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H-H2O"	-17.0027
"292135"	549.416276	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+H"	1.007276
"683462"	823.620776	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+H"	1.007276
"1363096"	275.211776	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H"	1.007276
"137078"	275.211776	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+2H"	2.014552
"573359"	412.314026	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+2H"	2.014552
"1045440"	138.109526	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2H"	2.014552
"210061"	183.810276	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+3H"	3.021828
"647066"	275.211776	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+3H"	3.021828
"1169206"	92.408776	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+3H"	3.021828
"436130"	566.442823	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+NH4"	18.033823
"790195"	840.647323	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+NH4"	18.033823
"1696745"	292.238323	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+NH4"	18.033823
"344175"	283.7250495	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+H+NH4"	19.041099
"737075"	420.8272995	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+H+NH4"	19.041099
"1490530"	146.6227995	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H+NH4"	19.041099
"407391"	571.398218	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+Na"	22.989218
"764738"	845.602718	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+Na"	22.989218
"1616120"	297.193718	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Na"	22.989218
"320687"	286.202747	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+H+Na"	23.996494
"712014"	423.304997	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+H+Na"	23.996494
"1466930"	149.100497	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H+Na"	23.996494
"1057988"	99.73609	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2H+Na"	25.00377
"1265135"	307.237986	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+CH3OH+H"	33.033486
"391732"	587.372158	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+K"	38.963158
"747985"	861.576658	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+K"	38.963158
"1548946"	313.167658	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+K"	38.963158
"307217"	294.189717	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+H+K"	39.970434
"699635"	431.291967	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+H+K"	39.970434
"1451272"	157.087467	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H+K"	39.970434
"244249"	590.442826	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+ACN+H"	42.033826
"1214772"	316.238326	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+ACN+H"	42.033826
"1200846"	158.622801	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+ACN+2H"	43.041102
"203445"	593.38016	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+2Na-H"	44.97116
"643003"	867.58466	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+2Na-H"	44.97116
"1142251"	319.17566	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2Na-H"	44.97116
"186647"	297.193718	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+2Na"	45.978436
"623652"	434.295968	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+2Na"	45.978436
"1124244"	160.091468	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2Na"	45.978436
"1409592"	107.063404	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H+2Na"	46.985712
"1442073"	321.217246	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H+HCOOH"	47.012746
"227392"	302.22674	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+3H2O+2H"	56.04448
"1519830"	335.26929	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+IsoProp+H"	61.06479
"420245"	305.180688	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+Na+K"	61.952376
"782334"	442.282938	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+Na+K"	61.952376
"1674289"	168.078438	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Na+K"	61.952376
"254245"	612.424768	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+ACN+Na"	64.015768
"1235704"	338.220268	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+ACN+Na"	64.015768
"1724956"	338.243793	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+NH4+HCOOH"	64.039293
"1189217"	114.390718	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+3Na"	68.967654
"1661297"	343.199188	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Na+HCOOH"	68.994688
"169984"	625.32804	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+2K-H"	76.91904
"607725"	899.53254	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+2K-H"	76.91904
"1095520"	351.12354	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2K-H"	76.91904
"150147"	313.167658	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"2M+2K"	77.926316
"588614"	450.269908	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"3M+2K"	77.926316
"1076408"	176.065408	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2K"	77.926316
"1101962"	353.138092	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2K+H"	78.933592
"1341629"	353.225707	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+DMSO+H"	79.021207
"1011254"	357.264876	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2ACN+H"	83.060376
"1533752"	358.258508	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+IsoProp+Na+H"	84.054008
"1002385"	179.136076	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+2ACN+2H"	84.067652
"1595794"	359.173128	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+K+HCOOH"	84.968628
"1424733"	389.204638	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+H+CF3COOH"	115.000138
"1159030"	199.649351	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+3ACN+2H"	125.094202
"1705666"	406.231185	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+NH4+CF3COOH"	132.026685
"1644597"	411.18658	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+Na+CF3COOH"	136.98208
"1582435"	427.16052	"C07532"	"Ropivacaine"	"C17H26N2O"	"274.2045"	"M+K+CF3COOH"	152.95602
"811710"	225.1365	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M"	0
"979774"	206.11811	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-H2O-H"	-19.01839
"69109"	149.083724	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M-3H"	-3.021828
"506483"	224.129224	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M-3H"	-3.021828
"894128"	74.038224	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-3H"	-3.021828
"13796"	224.129224	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M-2H"	-2.014552
"448982"	336.697474	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M-2H"	-2.014552
"820223"	111.560974	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-2H"	-2.014552
"82766"	449.265724	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M-H"	-1.007276
"533633"	674.402224	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M-H"	-1.007276
"910838"	224.129224	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-H"	-1.007276
"62543"	466.292271	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M-2H+NH4"	16.019271
"502589"	691.428771	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M-2H+NH4"	16.019271
"879296"	241.155771	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-2H+NH4"	16.019271
"45129"	471.247666	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M-2H+Na"	20.974666
"480798"	696.384166	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M-2H+Na"	20.974666
"861517"	246.111166	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-2H+Na"	20.974666
"1631050"	246.111166	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Na-2H"	20.974666
"107943"	242.117563	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M-H+Cl"	33.962126
"547502"	354.685813	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M-H+Cl"	33.962126
"939193"	129.549313	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-H+Cl"	33.962126
"274468"	485.242402	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+Cl"	34.969402
"670168"	710.378902	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+Cl"	34.969402
"1282569"	260.105902	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Cl"	34.969402
"21115"	487.221606	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M-2H+K"	36.948606
"459582"	712.358106	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M-2H+K"	36.948606
"834831"	262.085106	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-2H+K"	36.948606
"1559415"	262.085106	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+K-2H"	36.948606
"947297"	270.134694	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-H+HCOOH"	44.998194
"367704"	495.271201	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+HCOOH-H"	44.998201
"351591"	509.286851	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+Hac-H"	59.013851
"1501516"	284.150351	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Hac-H"	59.013851
"965775"	292.116651	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-H+NaCOOH"	66.980151
"113588"	260.105902	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+2Cl"	69.938804
"557153"	372.674152	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+2Cl"	69.938804
"1024138"	147.537652	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2Cl"	69.938804
"1253560"	304.055385	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Br"	78.918885
"1319055"	306.111372	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Cl+HCOOH"	80.974872
"1332413"	328.093329	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Cl+NaCOOH"	102.956829
"923471"	338.122086	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M-H+CF3COOH"	112.985586
"1294713"	374.098764	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Cl+CF3COOH"	148.962264
"1376154"	190.123824	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H-2H2O"	-35.012676
"1393650"	208.1338	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H-H2O"	-17.0027
"291149"	451.280276	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+H"	1.007276
"681384"	676.416776	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+H"	1.007276
"1359926"	226.143776	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H"	1.007276
"137187"	226.143776	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+2H"	2.014552
"573469"	338.712026	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+2H"	2.014552
"1047737"	113.575526	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2H"	2.014552
"211629"	151.098276	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+3H"	3.021828
"647905"	226.143776	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+3H"	3.021828
"1168587"	76.052776	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+3H"	3.021828
"438790"	468.306823	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+NH4"	18.033823
"789941"	693.443323	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+NH4"	18.033823
"1695400"	243.170323	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+NH4"	18.033823
"344163"	234.6570495	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+H+NH4"	19.041099
"736946"	347.2252995	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+H+NH4"	19.041099
"1490641"	122.0887995	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H+NH4"	19.041099
"407257"	473.262218	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+Na"	22.989218
"768127"	698.398718	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+Na"	22.989218
"1616109"	248.125718	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Na"	22.989218
"319703"	237.134747	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+H+Na"	23.996494
"715404"	349.702997	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+H+Na"	23.996494
"1468133"	124.566497	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H+Na"	23.996494
"1059191"	83.38009	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2H+Na"	25.00377
"1265245"	258.169986	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+CH3OH+H"	33.033486
"391114"	489.236158	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+K"	38.963158
"747001"	714.372658	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+K"	38.963158
"1550878"	264.099658	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+K"	38.963158
"307327"	245.121717	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+H+K"	39.970434
"697559"	357.689967	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+H+K"	39.970434
"1451382"	132.553467	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H+K"	39.970434
"244362"	492.306826	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+ACN+H"	42.033826
"1217068"	267.170326	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+ACN+H"	42.033826
"1204233"	134.088801	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+ACN+2H"	43.041102
"201119"	495.24416	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+2Na-H"	44.97116
"642383"	720.38066	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+2Na-H"	44.97116
"1143454"	270.10766	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2Na-H"	44.97116
"186028"	248.125718	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+2Na"	45.978436
"624127"	360.693968	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+2Na"	45.978436
"1126541"	135.557468	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2Na"	45.978436
"1409336"	90.707404	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H+2Na"	46.985712
"1439266"	272.149246	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H+HCOOH"	47.012746
"230420"	253.15874	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+3H2O+2H"	56.04448
"1521034"	286.20129	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+IsoProp+H"	61.06479
"419989"	256.112688	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+Na+K"	61.952376
"780986"	368.680938	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+Na+K"	61.952376
"1671482"	143.544438	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Na+K"	61.952376
"254720"	514.288768	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+ACN+Na"	64.015768
"1233992"	289.152268	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+ACN+Na"	64.015768
"1723973"	289.175793	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+NH4+HCOOH"	64.039293
"1189327"	98.034718	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+3Na"	68.967654
"1658126"	294.131188	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Na+HCOOH"	68.994688
"171919"	527.19204	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+2K-H"	76.91904
"610022"	752.32854	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+2K-H"	76.91904
"1098548"	302.05554	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2K-H"	76.91904
"148073"	264.099658	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"2M+2K"	77.926316
"589819"	376.667908	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"3M+2K"	77.926316
"1082839"	151.531408	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2K"	77.926316
"1104261"	304.070092	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2K+H"	78.933592
"1348300"	304.157707	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+DMSO+H"	79.021207
"1015738"	308.196876	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2ACN+H"	83.060376
"1532769"	309.190508	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+IsoProp+Na+H"	84.054008
"1001403"	154.602076	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+2ACN+2H"	84.067652
"1602224"	310.105128	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+K+HCOOH"	84.968628
"1423750"	340.136638	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+H+CF3COOH"	115.000138
"1152944"	175.115351	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+3ACN+2H"	125.094202
"1703589"	357.163185	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+NH4+CF3COOH"	132.026685
"1641427"	362.11858	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+Na+CF3COOH"	136.98208
"1582545"	378.09252	"C07533"	"Prenalterol"	"C12H19NO3"	"225.1365"	"M+K+CF3COOH"	152.95602
"811820"	296.1776	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M"	0
"979884"	277.15921	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-H2O-H"	-19.01839
"65939"	196.444457333333	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M-3H"	-3.021828
"506593"	295.170324	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M-3H"	-3.021828
"894849"	97.7185906666667	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-3H"	-3.021828
"13542"	295.170324	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M-2H"	-2.014552
"449092"	443.259124	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M-2H"	-2.014552
"820697"	147.081524	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-2H"	-2.014552
"90897"	591.347924	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M-H"	-1.007276
"532768"	887.525524	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M-H"	-1.007276
"910945"	295.170324	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-H"	-1.007276
"61919"	608.374471	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M-2H+NH4"	16.019271
"500872"	904.552071	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M-2H+NH4"	16.019271
"879163"	312.196871	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-2H+NH4"	16.019271
"45966"	613.329866	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M-2H+Na"	20.974666
"486016"	909.507466	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M-2H+Na"	20.974666
"862603"	317.152266	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-2H+Na"	20.974666
"1631894"	317.152266	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Na-2H"	20.974666
"108781"	313.158663	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M-H+Cl"	33.962126
"547977"	461.247463	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M-H+Cl"	33.962126
"939303"	165.069863	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-H+Cl"	33.962126
"271662"	627.324602	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+Cl"	34.969402
"669185"	923.502202	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+Cl"	34.969402
"1282679"	331.147002	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Cl"	34.969402
"19038"	629.303806	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M-2H+K"	36.948606
"459691"	925.481406	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M-2H+K"	36.948606
"836397"	333.126206	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-2H+K"	36.948606
"1557700"	333.126206	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+K-2H"	36.948606
"944853"	341.175794	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-H+HCOOH"	44.998194
"365628"	637.353401	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+HCOOH-H"	44.998201
"352795"	651.369051	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+Hac-H"	59.013851
"1500533"	355.191451	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Hac-H"	59.013851
"962606"	363.157751	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-H+NaCOOH"	66.980151
"112727"	331.147002	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+2Cl"	69.938804
"553984"	479.235802	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+2Cl"	69.938804
"1023155"	183.058202	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2Cl"	69.938804
"1250390"	375.096485	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Br"	78.918885
"1315026"	377.152472	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Cl+HCOOH"	80.974872
"1332159"	399.134429	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Cl+NaCOOH"	102.956829
"917021"	409.163186	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M-H+CF3COOH"	112.985586
"1298104"	445.139864	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Cl+CF3COOH"	148.962264
"1376264"	261.164924	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H-2H2O"	-35.012676
"1393760"	279.1749	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H-H2O"	-17.0027
"293446"	593.362476	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+H"	1.007276
"681495"	889.540076	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+H"	1.007276
"1358943"	297.184876	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H"	1.007276
"135110"	297.184876	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+2H"	2.014552
"575767"	445.273676	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+2H"	2.014552
"1045661"	149.096076	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2H"	2.014552
"208458"	198.459009333333	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+3H"	3.021828
"645460"	297.184876	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+3H"	3.021828
"1167604"	99.7331426666667	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+3H"	3.021828
"426501"	610.389023	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+NH4"	18.033823
"796614"	906.566623	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+NH4"	18.033823
"1696116"	314.211423	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+NH4"	18.033823
"344148"	305.6981495	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+H+NH4"	19.041099
"734743"	453.7869495	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+H+NH4"	19.041099
"1490750"	157.6093495	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H+NH4"	19.041099
"406883"	615.344418	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+Na"	22.989218
"767144"	911.522018	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+Na"	22.989218
"1617072"	319.166818	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Na"	22.989218
"322000"	308.175847	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+H+Na"	23.996494
"718794"	456.264647	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+H+Na"	23.996494
"1471523"	160.087047	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H+Na"	23.996494
"1059301"	107.060456666667	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2H+Na"	25.00377
"1266448"	329.211086	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+CH3OH+H"	33.033486
"391224"	631.318358	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+K"	38.963158
"744924"	927.495958	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+K"	38.963158
"1554271"	335.140758	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+K"	38.963158
"308530"	316.162817	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+H+K"	39.970434
"699856"	464.251617	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+H+K"	39.970434
"1451492"	168.074017	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H+K"	39.970434
"249214"	634.389026	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+ACN+H"	42.033826
"1220461"	338.211426	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+ACN+H"	42.033826
"1204343"	169.609351	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+ACN+2H"	43.041102
"203665"	637.32636	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+2Na-H"	44.97116
"642980"	933.50396	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+2Na-H"	44.97116
"1145522"	341.14876	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2Na-H"	44.97116
"185046"	319.166818	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+2Na"	45.978436
"622050"	467.255618	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+2Na"	45.978436
"1124464"	171.078018	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2Na"	45.978436
"1405802"	114.387770666667	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H+2Na"	46.985712
"1436824"	343.190346	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H+HCOOH"	47.012746
"230894"	324.19984	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+3H2O+2H"	56.04448
"1520781"	357.24239	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+IsoProp+H"	61.06479
"420465"	327.153788	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+Na+K"	61.952376
"780731"	475.242588	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+Na+K"	61.952376
"1670498"	179.064988	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Na+K"	61.952376
"253008"	656.370968	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+ACN+Na"	64.015768
"1233738"	360.193368	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+ACN+Na"	64.015768
"1718615"	360.216893	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+NH4+HCOOH"	64.039293
"1181781"	121.715084666667	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+3Na"	68.967654
"1654954"	365.172288	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Na+HCOOH"	68.994688
"168382"	669.27424	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+2K-H"	76.91904
"609039"	965.45184	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+2K-H"	76.91904
"1098535"	373.09664	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2K-H"	76.91904
"152557"	335.140758	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"2M+2K"	77.926316
"594302"	483.229558	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"3M+2K"	77.926316
"1079909"	187.051958	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2K"	77.926316
"1114091"	375.111192	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2K+H"	78.933592
"1349383"	375.198807	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+DMSO+H"	79.021207
"1018034"	379.237976	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2ACN+H"	83.060376
"1537252"	380.231608	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+IsoProp+Na+H"	84.054008
"1001513"	190.122626	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+2ACN+2H"	84.067652
"1601482"	381.146228	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+K+HCOOH"	84.968628
"1426047"	411.177738	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+H+CF3COOH"	115.000138
"1156334"	210.635901	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+3ACN+2H"	125.094202
"1703699"	428.204285	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+NH4+CF3COOH"	132.026685
"1641537"	433.15968	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+Na+CF3COOH"	136.98208
"1582655"	449.13362	"C07534"	"Ethynyl estradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol"	"C20H24O2"	"296.1776"	"M+K+CF3COOH"	152.95602
"806463"	252.0939	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M"	0
"979994"	233.07551	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"71517"	167.055324	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"504516"	251.086624	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"895324"	83.024024	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"14381"	251.086624	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"449202"	377.133574	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"821536"	125.039674	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"89184"	503.180524	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"531785"	755.274424	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"911319"	251.086624	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"62642"	520.207071	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"502483"	772.300971	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"879719"	268.113171	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"46563"	525.162466	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"486128"	777.256366	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"864052"	273.068566	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1633705"	273.068566	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"108162"	269.074963	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"549057"	395.121913	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"936132"	143.028013	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"274688"	539.157202	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"668202"	791.251102	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1278415"	287.063302	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"19877"	541.136406	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"459437"	793.230306	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"836143"	289.042506	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1557810"	289.042506	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"944478"	297.092094	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"365738"	549.186001	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"348531"	563.201651	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1499549"	311.107751	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"960529"	319.074051	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"112716"	287.063302	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"552638"	413.110252	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1023265"	161.016352	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1250500"	331.012785	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1308575"	333.068772	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1331539"	355.050729	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"920411"	365.079486	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1294933"	401.056164	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1379290"	217.081224	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1393868"	235.0912	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"288088"	505.195076	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"680510"	757.288976	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1361240"	253.101176	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H"	1.007276
"134127"	253.101176	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"573690"	379.148126	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1044677"	127.054226	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"208568"	169.069876	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"645327"	253.101176	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1169901"	85.038576	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"427704"	522.221623	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"791620"	774.315523	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1696712"	270.127723	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"345646"	261.6144495	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"737041"	387.6613995	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1492582"	135.5674995	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"408356"	527.177018	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"766162"	779.270918	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1612074"	275.083118	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"321018"	264.092147	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"719998"	390.139097	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1472727"	138.045197	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1064879"	92.36589	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1267651"	285.127386	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"391334"	543.150958	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"749774"	795.244858	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1555537"	291.057058	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+K"	38.963158
"311556"	272.079117	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"699966"	398.126067	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1450509"	146.032167	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"247861"	546.221626	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1220571"	294.127726	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1206641"	147.567501	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"202794"	549.15896	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"643334"	801.25286	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1145871"	297.06506	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"185517"	275.083118	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"622160"	401.130068	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1124574"	149.036168	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1411746"	99.693204	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1442766"	299.106646	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"231004"	280.11614	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1521984"	313.15869	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"420575"	283.070088	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"780841"	409.117038	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1672795"	157.023138	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"253482"	568.203568	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1230930"	316.109668	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1719818"	316.133193	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1181891"	107.020518	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1655064"	321.088588	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"168492"	581.10684	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"606963"	833.20074	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1098646"	329.01294	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"150479"	291.057058	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"593319"	417.104008	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1083303"	165.010108	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1114201"	331.027492	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1350222"	331.115107	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1020698"	335.154276	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1537362"	336.147908	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"1003689"	168.080776	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1600498"	337.062528	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1423970"	367.094038	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1152069"	188.594051	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1703809"	384.120585	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1641647"	389.07598	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1582765"	405.04992	"C07535"	"Benzoapyrene;Benzpyrene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"809853"	226.1317	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M"	0
"980104"	207.11331	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-H2O-H"	-19.01839
"72720"	149.747190666667	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M-3H"	-3.021828
"505718"	225.124424	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M-3H"	-3.021828
"895188"	74.3699573333333	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-3H"	-3.021828
"14491"	225.124424	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M-2H"	-2.014552
"449312"	338.190274	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M-2H"	-2.014552
"822739"	112.058574	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-2H"	-2.014552
"94003"	451.256124	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M-H"	-1.007276
"532745"	677.387824	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M-H"	-1.007276
"911130"	225.124424	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-H"	-1.007276
"62754"	468.282671	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M-2H+NH4"	16.019271
"501455"	694.414371	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M-2H+NH4"	16.019271
"879461"	242.150971	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-2H+NH4"	16.019271
"46305"	473.238066	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M-2H+Na"	20.974666
"487102"	699.369766	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M-2H+Na"	20.974666
"864149"	247.106366	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-2H+Na"	20.974666
"1633978"	247.106366	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Na-2H"	20.974666
"108271"	243.112763	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M-H+Cl"	33.962126
"549613"	356.178613	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M-H+Cl"	33.962126
"940252"	130.046913	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-H+Cl"	33.962126
"278078"	487.232802	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+Cl"	34.969402
"667220"	713.364502	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+Cl"	34.969402
"1281806"	261.101102	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Cl"	34.969402
"18894"	489.212006	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M-2H+K"	36.948606
"458819"	715.343706	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M-2H+K"	36.948606
"835528"	263.080306	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-2H+K"	36.948606
"1556829"	263.080306	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+K-2H"	36.948606
"945440"	271.129894	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-H+HCOOH"	44.998194
"368034"	497.261601	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+HCOOH-H"	44.998201
"349730"	511.277251	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+Hac-H"	59.013851
"1496378"	285.145551	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Hac-H"	59.013851
"961003"	293.111851	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-H+NaCOOH"	66.980151
"111733"	261.101102	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+2Cl"	69.938804
"552019"	374.166952	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+2Cl"	69.938804
"1023375"	148.035252	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2Cl"	69.938804
"1250610"	305.050585	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Br"	78.918885
"1309049"	307.106572	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Cl+HCOOH"	80.974872
"1332743"	329.088529	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Cl+NaCOOH"	102.956829
"920521"	339.117286	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M-H+CF3COOH"	112.985586
"1298323"	375.093964	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Cl+CF3COOH"	148.962264
"1379764"	191.119024	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H-2H2O"	-35.012676
"1393978"	209.129	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H-H2O"	-17.0027
"291479"	453.270676	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+H"	1.007276
"682807"	679.402376	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+H"	1.007276
"1357338"	227.138976	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H"	1.007276
"132050"	227.138976	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+2H"	2.014552
"575987"	340.204826	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+2H"	2.014552
"1049160"	114.073126	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2H"	2.014552
"208314"	151.761742666667	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+3H"	3.021828
"647873"	227.138976	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+3H"	3.021828
"1170376"	76.3845093333333	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+3H"	3.021828
"425626"	470.297223	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+NH4"	18.033823
"792459"	696.428923	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+NH4"	18.033823
"1696460"	244.165523	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+NH4"	18.033823
"344737"	235.6522495	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+H+NH4"	19.041099
"738211"	348.7180995	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+H+NH4"	19.041099
"1492695"	122.5863995	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H+NH4"	19.041099
"408443"	475.252618	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+Na"	22.989218
"767365"	701.384318	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+Na"	22.989218
"1613277"	249.120918	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Na"	22.989218
"323314"	238.129947	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+H+Na"	23.996494
"719014"	351.195797	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+H+Na"	23.996494
"1473202"	125.064097	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H+Na"	23.996494
"1065354"	83.7118233333333	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2H+Na"	25.00377
"1268856"	259.165186	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+CH3OH+H"	33.033486
"389618"	491.226558	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+K"	38.963158
"748424"	717.358258	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+K"	38.963158
"1555267"	265.094858	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+K"	38.963158
"314100"	246.116917	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+H+K"	39.970434
"702628"	359.182767	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+H+K"	39.970434
"1452805"	133.051067	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H+K"	39.970434
"246878"	494.297226	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+ACN+H"	42.033826
"1222867"	268.165526	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+ACN+H"	42.033826
"1207844"	134.586401	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+ACN+2H"	43.041102
"202540"	497.23456	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+2Na-H"	44.97116
"643932"	723.36626	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+2Na-H"	44.97116
"1145980"	271.10286	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2Na-H"	44.97116
"184897"	249.120918	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+2Na"	45.978436
"622271"	362.186768	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+2Na"	45.978436
"1126872"	136.055068	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2Na"	45.978436
"1411492"	91.0391373333333	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H+2Na"	46.985712
"1444214"	273.144446	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H+HCOOH"	47.012746
"232207"	254.15394	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+3H2O+2H"	56.04448
"1523430"	287.19649	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+IsoProp+H"	61.06479
"422141"	257.107888	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+Na+K"	61.952376
"781680"	370.173738	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+Na+K"	61.952376
"1672905"	144.042038	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Na+K"	61.952376
"253225"	516.279168	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+ACN+Na"	64.015768
"1231040"	290.147468	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+ACN+Na"	64.015768
"1723207"	290.170993	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+NH4+HCOOH"	64.039293
"1180904"	98.3664513333333	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+3Na"	68.967654
"1655174"	295.126388	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Na+HCOOH"	68.994688
"169695"	529.18244	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+2K-H"	76.91904
"610353"	755.31414	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+2K-H"	76.91904
"1098271"	303.05074	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2K-H"	76.91904
"152776"	265.094858	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"2M+2K"	77.926316
"595496"	378.160708	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"3M+2K"	77.926316
"1082314"	152.029008	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2K"	77.926316
"1115042"	305.065292	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2K+H"	78.933592
"1349969"	305.152907	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+DMSO+H"	79.021207
"1018252"	309.192076	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2ACN+H"	83.060376
"1536378"	310.185708	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+IsoProp+Na+H"	84.054008
"1003919"	155.099676	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+2ACN+2H"	84.067652
"1597327"	311.100328	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+K+HCOOH"	84.968628
"1424080"	341.131838	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+H+CF3COOH"	115.000138
"1152179"	175.612951	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+3ACN+2H"	125.094202
"1703919"	358.158385	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+NH4+CF3COOH"	132.026685
"1645037"	363.11378	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+Na+CF3COOH"	136.98208
"1582875"	379.08772	"C07536"	"Amobarbital"	"C11H18N2O3"	"226.1317"	"M+K+CF3COOH"	152.95602
"809963"	313.1678	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M"	0
"980214"	294.14941	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H2O-H"	-19.01839
"69550"	207.771257333333	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-3H"	-3.021828
"503764"	312.160524	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-3H"	-3.021828
"892382"	103.381990666667	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-3H"	-3.021828
"14723"	312.160524	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H"	-2.014552
"449058"	468.744424	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H"	-2.014552
"822849"	155.576624	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H"	-2.014552
"94027"	625.328324	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-H"	-1.007276
"532977"	938.496124	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-H"	-1.007276
"911346"	312.160524	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H"	-1.007276
"62674"	642.354871	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H+NH4"	16.019271
"501930"	955.522671	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H+NH4"	16.019271
"879122"	329.187071	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H+NH4"	16.019271
"44958"	647.310266	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H+Na"	20.974666
"486876"	960.478066	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H+Na"	20.974666
"863578"	334.142466	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H+Na"	20.974666
"1633762"	334.142466	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na-2H"	20.974666
"106193"	330.148863	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-H+Cl"	33.962126
"546117"	486.732763	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-H+Cl"	33.962126
"939269"	173.564963	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+Cl"	33.962126
"276002"	661.305002	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Cl"	34.969402
"665143"	974.472802	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+Cl"	34.969402
"1279730"	348.137202	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl"	34.969402
"21192"	663.284206	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H+K"	36.948606
"458565"	976.452006	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H+K"	36.948606
"837461"	350.116406	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H+K"	36.948606
"1558762"	350.116406	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K-2H"	36.948606
"944454"	358.165994	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+HCOOH"	44.998194
"363769"	671.333801	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+HCOOH-H"	44.998201
"350933"	685.349451	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Hac-H"	59.013851
"1497581"	372.181651	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Hac-H"	59.013851
"960749"	380.147951	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+NaCOOH"	66.980151
"111843"	348.137202	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2Cl"	69.938804
"553590"	504.721102	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2Cl"	69.938804
"1023485"	191.553302	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2Cl"	69.938804
"1247439"	392.086685	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Br"	78.918885
"1307701"	394.142672	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl+HCOOH"	80.974872
"1325198"	416.124629	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl+NaCOOH"	102.956829
"920631"	426.153386	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+CF3COOH"	112.985586
"1297340"	462.130064	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl+CF3COOH"	148.962264
"1375500"	278.155124	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H-2H2O"	-35.012676
"1392995"	296.1651	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H-H2O"	-17.0027
"293776"	627.342876	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H"	1.007276
"682917"	940.510676	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H"	1.007276
"1358178"	314.175076	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H"	1.007276
"131067"	314.175076	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2H"	2.014552
"575004"	470.758976	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2H"	2.014552
"1047084"	157.591176	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2H"	2.014552
"208424"	209.785809333333	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+3H"	3.021828
"646890"	314.175076	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+3H"	3.021828
"1170486"	105.396542666667	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+3H"	3.021828
"424644"	644.369423	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+NH4"	18.033823
"793662"	957.537223	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+NH4"	18.033823
"1696323"	331.201623	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+NH4"	18.033823
"345172"	322.6883495	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H+NH4"	19.041099
"737953"	479.2722495	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H+NH4"	19.041099
"1492423"	166.1044495	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+NH4"	19.041099
"408266"	649.324818	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Na"	22.989218
"766747"	962.492618	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+Na"	22.989218
"1612294"	336.157018	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na"	22.989218
"325610"	325.166047	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H+Na"	23.996494
"718031"	481.749947	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H+Na"	23.996494
"1471126"	168.582147	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+Na"	23.996494
"1063643"	112.723856666667	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2H+Na"	25.00377
"1268238"	346.201286	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+CH3OH+H"	33.033486
"389728"	665.298758	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+K"	38.963158
"748170"	978.466558	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+K"	38.963158
"1554968"	352.130958	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K"	38.963158
"313560"	333.153017	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H+K"	39.970434
"703832"	489.736917	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H+K"	39.970434
"1452915"	176.569117	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+K"	39.970434
"248081"	668.369426	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+ACN+H"	42.033826
"1222977"	355.201626	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+ACN+H"	42.033826
"1207954"	178.104451	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+ACN+2H"	43.041102
"203138"	671.30676	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2Na-H"	44.97116
"643556"	984.47456	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2Na-H"	44.97116
"1146818"	358.13896	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2Na-H"	44.97116
"186829"	336.157018	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2Na"	45.978436
"622381"	492.740918	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2Na"	45.978436
"1128074"	179.573118	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2Na"	45.978436
"1412691"	120.051170666667	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+2Na"	46.985712
"1445336"	360.180546	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+HCOOH"	47.012746
"233410"	341.19004	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+3H2O+2H"	56.04448
"1521470"	374.23259	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+IsoProp+H"	61.06479
"423344"	344.143988	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Na+K"	61.952376
"783976"	500.727888	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+Na+K"	61.952376
"1673015"	187.560088	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na+K"	61.952376
"252240"	690.351368	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+ACN+Na"	64.015768
"1231150"	377.183568	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+ACN+Na"	64.015768
"1722224"	377.207093	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+NH4+HCOOH"	64.039293
"1179920"	127.378484666667	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+3Na"	68.967654
"1655284"	382.162488	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na+HCOOH"	68.994688
"170898"	703.25464	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2K-H"	76.91904
"609370"	1016.42244	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2K-H"	76.91904
"1096069"	390.08684	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2K-H"	76.91904
"152886"	352.130958	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2K"	77.926316
"595606"	508.714858	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2K"	77.926316
"1083275"	195.547058	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2K"	77.926316
"1115396"	392.101392	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2K+H"	78.933592
"1350321"	392.189007	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+DMSO+H"	79.021207
"1018362"	396.228176	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2ACN+H"	83.060376
"1535394"	397.221808	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+IsoProp+Na+H"	84.054008
"1005121"	198.617726	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2ACN+2H"	84.067652
"1600717"	398.136428	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K+HCOOH"	84.968628
"1424190"	428.167938	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+CF3COOH"	115.000138
"1152289"	219.131001	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+3ACN+2H"	125.094202
"1704029"	445.194485	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+NH4+CF3COOH"	132.026685
"1645147"	450.14988	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na+CF3COOH"	136.98208
"1582985"	466.12382	"C07537"	"Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K+CF3COOH"	152.95602
"808980"	239.1674	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M"	0
"980324"	220.14901	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-H2O-H"	-19.01839
"69660"	158.437657333333	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M-3H"	-3.021828
"507034"	238.160124	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M-3H"	-3.021828
"894678"	78.7151906666667	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-3H"	-3.021828
"14227"	238.160124	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M-2H"	-2.014552
"454883"	357.743824	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M-2H"	-2.014552
"824054"	118.576424	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-2H"	-2.014552
"93654"	477.327524	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M-H"	-1.007276
"533579"	716.494924	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M-H"	-1.007276
"910288"	238.160124	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-H"	-1.007276
"59078"	494.354071	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M-2H+NH4"	16.019271
"501550"	733.521471	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M-2H+NH4"	16.019271
"878259"	255.186671	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-2H+NH4"	16.019271
"46736"	499.309466	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M-2H+Na"	20.974666
"486700"	738.476866	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M-2H+Na"	20.974666
"863402"	260.142066	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-2H+Na"	20.974666
"1632326"	260.142066	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Na-2H"	20.974666
"108125"	256.148463	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M-H+Cl"	33.962126
"547322"	375.732163	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M-H+Cl"	33.962126
"937556"	136.564763	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-H+Cl"	33.962126
"275019"	513.304202	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+Cl"	34.969402
"668534"	752.471602	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+Cl"	34.969402
"1278748"	274.136802	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Cl"	34.969402
"24582"	515.283406	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M-2H+K"	36.948606
"464144"	754.450806	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M-2H+K"	36.948606
"838666"	276.116006	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-2H+K"	36.948606
"1558874"	276.116006	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+K-2H"	36.948606
"947849"	284.165594	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-H+HCOOH"	44.998194
"364975"	523.333001	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+HCOOH-H"	44.998201
"351045"	537.348651	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+Hac-H"	59.013851
"1496599"	298.181251	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Hac-H"	59.013851
"968515"	306.147551	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-H+NaCOOH"	66.980151
"117423"	274.136802	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+2Cl"	69.938804
"555888"	393.720502	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+2Cl"	69.938804
"1021773"	154.553102	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2Cl"	69.938804
"1248642"	318.086285	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Br"	78.918885
"1305989"	320.142272	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Cl+HCOOH"	80.974872
"1322390"	342.124229	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Cl+NaCOOH"	102.956829
"915636"	352.152986	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M-H+CF3COOH"	112.985586
"1290522"	388.129664	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Cl+CF3COOH"	148.962264
"1368683"	204.154724	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H-2H2O"	-35.012676
"1387638"	222.1647	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H-H2O"	-17.0027
"288419"	479.342076	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+H"	1.007276
"686308"	718.509476	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+H"	1.007276
"1355006"	240.174676	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H"	1.007276
"128258"	240.174676	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+2H"	2.014552
"579489"	359.758376	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+2H"	2.014552
"1047196"	120.590976	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2H"	2.014552
"210722"	160.452209333333	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+3H"	3.021828
"644813"	240.174676	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+3H"	3.021828
"1170597"	80.7297426666667	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+3H"	3.021828
"427308"	496.368623	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+NH4"	18.033823
"792679"	735.536023	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+NH4"	18.033823
"1694851"	257.201223	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+NH4"	18.033823
"344224"	248.6879495	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+H+NH4"	19.041099
"737374"	368.2716495	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+H+NH4"	19.041099
"1490829"	129.1042495	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H+NH4"	19.041099
"405864"	501.324018	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+Na"	22.989218
"766129"	740.491418	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+Na"	22.989218
"1615322"	262.156618	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Na"	22.989218
"323534"	251.165647	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+H+Na"	23.996494
"717047"	370.749347	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+H+Na"	23.996494
"1470870"	131.581947	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H+Na"	23.996494
"1066671"	88.0570566666667	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2H+Na"	25.00377
"1267983"	272.200886	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+CH3OH+H"	33.033486
"390203"	517.297958	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+K"	38.963158
"748644"	756.465358	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+K"	38.963158
"1554959"	278.130558	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+K"	38.963158
"313834"	259.152617	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+H+K"	39.970434
"704671"	378.736317	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+H+K"	39.970434
"1451932"	139.568917	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H+K"	39.970434
"247463"	520.368626	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+ACN+H"	42.033826
"1222723"	281.201226	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+ACN+H"	42.033826
"1208555"	141.104251	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+ACN+2H"	43.041102
"199841"	523.30596	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+2Na-H"	44.97116
"643055"	762.47336	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+2Na-H"	44.97116
"1145958"	284.13856	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2Na-H"	44.97116
"186936"	262.156618	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+2Na"	45.978436
"626132"	381.740318	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+2Na"	45.978436
"1125998"	142.572918	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2Na"	45.978436
"1412073"	95.3843706666667	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H+2Na"	46.985712
"1445245"	286.180146	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H+HCOOH"	47.012746
"233156"	267.18964	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+3H2O+2H"	56.04448
"1521580"	300.23219	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+IsoProp+H"	61.06479
"423819"	270.143588	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+Na+K"	61.952376
"784086"	389.727288	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+Na+K"	61.952376
"1669845"	150.559888	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Na+K"	61.952376
"252108"	542.350568	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+ACN+Na"	64.015768
"1227980"	303.183168	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+ACN+Na"	64.015768
"1720147"	303.206693	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+NH4+HCOOH"	64.039293
"1180396"	102.711684666667	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+3Na"	68.967654
"1654299"	308.162088	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Na+HCOOH"	68.994688
"169912"	555.25384	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+2K-H"	76.91904
"609479"	794.42124	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+2K-H"	76.91904
"1092899"	316.08644	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2K-H"	76.91904
"152995"	278.130558	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"2M+2K"	77.926316
"593648"	397.714258	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"3M+2K"	77.926316
"1079252"	158.546858	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2K"	77.926316
"1111369"	318.100992	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2K+H"	78.933592
"1347756"	318.188607	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+DMSO+H"	79.021207
"1011911"	322.227776	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2ACN+H"	83.060376
"1533316"	323.221408	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+IsoProp+Na+H"	84.054008
"1001950"	161.617526	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+2ACN+2H"	84.067652
"1593173"	324.136028	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+K+HCOOH"	84.968628
"1416642"	354.167538	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+H+CF3COOH"	115.000138
"1151306"	182.130801	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+3ACN+2H"	125.094202
"1704139"	371.194085	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+NH4+CF3COOH"	132.026685
"1641977"	376.14948	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+Na+CF3COOH"	136.98208
"1583095"	392.12342	"C07538"	"Benzphetamine;Benzfetamine"	"C17H21N"	"239.1674"	"M+K+CF3COOH"	152.95602
"812370"	231.1372	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M"	0
"985902"	212.11881	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-H2O-H"	-19.01839
"64303"	153.084190666667	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M-3H"	-3.021828
"507143"	230.129924	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M-3H"	-3.021828
"894182"	76.0384573333333	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-3H"	-3.021828
"12269"	230.129924	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M-2H"	-2.014552
"455275"	345.698524	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M-2H"	-2.014552
"824164"	114.561324	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-2H"	-2.014552
"92911"	461.267124	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M-H"	-1.007276
"533084"	692.404324	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M-H"	-1.007276
"909792"	230.129924	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-H"	-1.007276
"61379"	478.293671	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M-2H+NH4"	16.019271
"501300"	709.430871	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M-2H+NH4"	16.019271
"878130"	247.156471	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-2H+NH4"	16.019271
"46928"	483.249066	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M-2H+Na"	20.974666
"486810"	714.386266	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M-2H+Na"	20.974666
"862905"	252.111866	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-2H+Na"	20.974666
"1631708"	252.111866	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Na-2H"	20.974666
"106778"	248.118263	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M-H+Cl"	33.962126
"546704"	363.686863	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M-H+Cl"	33.962126
"933292"	132.549663	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-H+Cl"	33.962126
"276222"	497.243802	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+Cl"	34.969402
"664269"	728.381002	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+Cl"	34.969402
"1277765"	266.106602	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Cl"	34.969402
"19226"	499.223006	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M-2H+K"	36.948606
"462068"	730.360206	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M-2H+K"	36.948606
"836590"	268.085806	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-2H+K"	36.948606
"1561171"	268.085806	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+K-2H"	36.948606
"944679"	276.135394	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-H+HCOOH"	44.998194
"362898"	507.272601	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+HCOOH-H"	44.998201
"347872"	521.288251	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+Hac-H"	59.013851
"1494521"	290.151051	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Hac-H"	59.013851
"966437"	298.117351	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-H+NaCOOH"	66.980151
"115344"	266.106602	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+2Cl"	69.938804
"555997"	381.675202	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+2Cl"	69.938804
"1022612"	150.538002	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2Cl"	69.938804
"1248752"	310.056085	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Br"	78.918885
"1306463"	312.112072	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Cl+HCOOH"	80.974872
"1321405"	334.094029	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Cl+NaCOOH"	102.956829
"914653"	344.122786	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M-H+CF3COOH"	112.985586
"1290992"	380.099464	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Cl+CF3COOH"	148.962264
"1369885"	196.124524	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H-2H2O"	-35.012676
"1385925"	214.1345	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H-H2O"	-17.0027
"288529"	463.281676	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+H"	1.007276
"686418"	694.418876	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+H"	1.007276
"1353292"	232.144476	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H"	1.007276
"128001"	232.144476	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+2H"	2.014552
"569758"	347.713076	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+2H"	2.014552
"1042930"	116.575876	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2H"	2.014552
"205361"	155.098742666667	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+3H"	3.021828
"645039"	232.144476	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+3H"	3.021828
"1168519"	78.0530093333333	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+3H"	3.021828
"429604"	480.308223	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+NH4"	18.033823
"791696"	711.445423	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+NH4"	18.033823
"1695325"	249.171023	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+NH4"	18.033823
"344578"	240.6577495	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+H+NH4"	19.041099
"736756"	356.2263495	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+H+NH4"	19.041099
"1490940"	125.0891495	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H+NH4"	19.041099
"405975"	485.263618	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+Na"	22.989218
"766967"	716.400818	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+Na"	22.989218
"1613609"	254.126418	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Na"	22.989218
"325830"	243.135447	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+H+Na"	23.996494
"717157"	358.704047	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+H+Na"	23.996494
"1472074"	127.566847	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H+Na"	23.996494
"1067874"	85.3803233333333	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2H+Na"	25.00377
"1269915"	264.170686	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+CH3OH+H"	33.033486
"390677"	501.237558	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+K"	38.963158
"747661"	732.374758	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+K"	38.963158
"1555315"	270.100358	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+K"	38.963158
"313823"	251.122417	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+H+K"	39.970434
"701865"	366.691017	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+H+K"	39.970434
"1453865"	135.553817	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H+K"	39.970434
"247573"	504.308226	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+ACN+H"	42.033826
"1222833"	273.171026	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+ACN+H"	42.033826
"1207814"	137.089151	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+ACN+2H"	43.041102
"199587"	507.24556	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+2Na-H"	44.97116
"641349"	738.38276	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+2Na-H"	44.97116
"1143397"	276.10836	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2Na-H"	44.97116
"185590"	254.126418	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+2Na"	45.978436
"626243"	369.695018	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+2Na"	45.978436
"1128659"	138.557818	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2Na"	45.978436
"1411089"	92.7076373333333	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H+2Na"	46.985712
"1443936"	278.149946	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H+HCOOH"	47.012746
"231442"	259.15944	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+3H2O+2H"	56.04448
"1520962"	292.20199	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+IsoProp+H"	61.06479
"420648"	262.113388	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+Na+K"	61.952376
"784196"	377.681988	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+Na+K"	61.952376
"1669955"	146.544788	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Na+K"	61.952376
"253189"	526.290168	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+ACN+Na"	64.015768
"1228090"	295.152968	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+ACN+Na"	64.015768
"1722444"	295.176493	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+NH4+HCOOH"	64.039293
"1180143"	100.034951333333	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+3Na"	68.967654
"1653316"	300.131888	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Na+HCOOH"	68.994688
"170023"	539.19344	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+2K-H"	76.91904
"611654"	770.33064	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+2K-H"	76.91904
"1094102"	308.05624	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2K-H"	76.91904
"155901"	270.100358	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"2M+2K"	77.926316
"595823"	385.668958	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"3M+2K"	77.926316
"1082521"	154.531758	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2K"	77.926316
"1114274"	310.070792	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2K+H"	78.933592
"1348959"	310.158407	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+DMSO+H"	79.021207
"1015301"	314.197576	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2ACN+H"	83.060376
"1535612"	315.191208	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+IsoProp+Na+H"	84.054008
"1004247"	157.602426	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+2ACN+2H"	84.067652
"1593283"	316.105828	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+K+HCOOH"	84.968628
"1416023"	346.137338	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+H+CF3COOH"	115.000138
"1151416"	178.115701	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+3ACN+2H"	125.094202
"1704249"	363.163885	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+NH4+CF3COOH"	132.026685
"1635890"	368.11928	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+Na+CF3COOH"	136.98208
"1583205"	384.09322	"C07539"	"Aminopyrine;4-Dimethylaminoantipyrine"	"C13H17N3O"	"231.1372"	"M+K+CF3COOH"	152.95602
"815396"	226.147	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M"	0
"986012"	207.12861	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-H2O-H"	-19.01839
"64412"	149.757390666667	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M-3H"	-3.021828
"510533"	225.139724	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M-3H"	-3.021828
"894777"	74.3750573333333	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-3H"	-3.021828
"9099"	225.139724	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M-2H"	-2.014552
"453033"	338.213224	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M-2H"	-2.014552
"822087"	112.066224	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-2H"	-2.014552
"94197"	451.286724	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M-H"	-1.007276
"533691"	677.433724	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M-H"	-1.007276
"910763"	225.139724	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-H"	-1.007276
"61127"	468.313271	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M-2H+NH4"	16.019271
"501538"	694.460271	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M-2H+NH4"	16.019271
"879092"	242.166271	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-2H+NH4"	16.019271
"45419"	473.268666	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M-2H+Na"	20.974666
"486437"	699.415666	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M-2H+Na"	20.974666
"863387"	247.121666	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-2H+Na"	20.974666
"1633647"	247.121666	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Na-2H"	20.974666
"109483"	243.128063	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M-H+Cl"	33.962126
"548761"	356.201563	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M-H+Cl"	33.962126
"941303"	130.054563	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-H+Cl"	33.962126
"279613"	487.263402	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+Cl"	34.969402
"667661"	713.410402	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+Cl"	34.969402
"1285531"	261.116402	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Cl"	34.969402
"24805"	489.242606	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M-2H+K"	36.948606
"465459"	715.389606	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M-2H+K"	36.948606
"841074"	263.095606	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-2H+K"	36.948606
"1566748"	263.095606	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+K-2H"	36.948606
"951350"	271.145194	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-H+HCOOH"	44.998194
"364101"	497.292201	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+HCOOH-H"	44.998201
"350169"	511.307851	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+Hac-H"	59.013851
"1495724"	285.160851	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Hac-H"	59.013851
"968734"	293.127151	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-H+NaCOOH"	66.980151
"115454"	261.116402	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+2Cl"	69.938804
"556107"	374.189902	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+2Cl"	69.938804
"1024909"	148.042902	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2Cl"	69.938804
"1252144"	305.065885	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Br"	78.918885
"1312405"	307.121872	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Cl+HCOOH"	80.974872
"1326621"	329.103829	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Cl+NaCOOH"	102.956829
"918773"	339.132586	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M-H+CF3COOH"	112.985586
"1290742"	375.109264	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Cl+CF3COOH"	148.962264
"1368539"	191.134324	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H-2H2O"	-35.012676
"1385671"	209.1443	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H-H2O"	-17.0027
"286452"	453.301276	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+H"	1.007276
"685434"	679.448276	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+H"	1.007276
"1355226"	227.154276	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H"	1.007276
"128111"	227.154276	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+2H"	2.014552
"576429"	340.227776	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+2H"	2.014552
"1042311"	114.080776	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2H"	2.014552
"208389"	151.771942666667	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+3H"	3.021828
"645395"	227.154276	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+3H"	3.021828
"1171910"	76.3896093333333	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+3H"	3.021828
"432997"	470.327823	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+NH4"	18.033823
"801122"	696.474823	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+NH4"	18.033823
"1695805"	244.180823	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+NH4"	18.033823
"344445"	235.6675495	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+H+NH4"	19.041099
"738084"	348.7410495	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+H+NH4"	19.041099
"1491417"	122.5940495	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H+NH4"	19.041099
"407786"	475.283218	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+Na"	22.989218
"768902"	701.430218	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+Na"	22.989218
"1617489"	249.136218	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Na"	22.989218
"328496"	238.145247	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+H+Na"	23.996494
"719459"	351.218747	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+H+Na"	23.996494
"1473640"	125.071747	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H+Na"	23.996494
"1068233"	83.7169233333333	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2H+Na"	25.00377
"1272172"	259.180486	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+CH3OH+H"	33.033486
"391516"	491.257158	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+K"	38.963158
"749958"	717.404158	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+K"	38.963158
"1555383"	265.110158	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+K"	38.963158
"313816"	246.132217	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+H+K"	39.970434
"706351"	359.205717	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+H+K"	39.970434
"1452152"	133.058717	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H+K"	39.970434
"239294"	494.327826	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+ACN+H"	42.033826
"1221119"	268.180826	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+ACN+H"	42.033826
"1198074"	134.594051	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+ACN+2H"	43.041102
"190577"	497.26516	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+2Na-H"	44.97116
"641098"	723.41216	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+2Na-H"	44.97116
"1143875"	271.11816	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2Na-H"	44.97116
"185340"	249.136218	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+2Na"	45.978436
"626967"	362.209718	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+2Na"	45.978436
"1128405"	136.062718	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2Na"	45.978436
"1412296"	91.0442373333333	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H+2Na"	46.985712
"1444048"	273.159746	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H+HCOOH"	47.012746
"227178"	254.16924	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+3H2O+2H"	56.04448
"1518523"	287.21179	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+IsoProp+H"	61.06479
"420758"	257.123188	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+Na+K"	61.952376
"775189"	370.196688	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+Na+K"	61.952376
"1671883"	144.049688	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Na+K"	61.952376
"259859"	516.309768	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+ACN+Na"	64.015768
"1231477"	290.162768	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+ACN+Na"	64.015768
"1718177"	290.186293	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+NH4+HCOOH"	64.039293
"1183530"	98.3715513333333	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+3Na"	68.967654
"1653425"	295.141688	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Na+HCOOH"	68.994688
"163570"	529.21304	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+2K-H"	76.91904
"609700"	755.36004	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+2K-H"	76.91904
"1096399"	303.06604	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2K-H"	76.91904
"155770"	265.110158	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"2M+2K"	77.926316
"596181"	378.183658	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"3M+2K"	77.926316
"1079472"	152.036658	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2K"	77.926316
"1114384"	305.080592	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2K+H"	78.933592
"1349678"	305.168207	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+DMSO+H"	79.021207
"1017598"	309.207376	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2ACN+H"	83.060376
"1535722"	310.201008	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+IsoProp+Na+H"	84.054008
"1004845"	155.107326	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+2ACN+2H"	84.067652
"1593393"	311.115628	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+K+HCOOH"	84.968628
"1415770"	341.147138	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+H+CF3COOH"	115.000138
"1151526"	175.620601	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+3ACN+2H"	125.094202
"1704359"	358.173685	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+NH4+CF3COOH"	132.026685
"1636000"	363.12908	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+Na+CF3COOH"	136.98208
"1583315"	379.10302	"C07540"	"6-Methylergoline"	"C15H18N2"	"226.147"	"M+K+CF3COOH"	152.95602
"811497"	268.1212	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M"	0
"980655"	249.10281	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-H2O-H"	-19.01839
"66710"	177.740190666667	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M-3H"	-3.021828
"513924"	267.113924	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M-3H"	-3.021828
"888447"	88.3664573333333	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-3H"	-3.021828
"5929"	267.113924	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M-2H"	-2.014552
"446583"	401.174524	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M-2H"	-2.014552
"822197"	133.053324	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-2H"	-2.014552
"92033"	535.235124	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M-H"	-1.007276
"534218"	803.356324	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M-H"	-1.007276
"910996"	267.113924	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-H"	-1.007276
"62331"	552.261671	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M-2H+NH4"	16.019271
"502492"	820.382871	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M-2H+NH4"	16.019271
"877861"	284.140471	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-2H+NH4"	16.019271
"46582"	557.217066	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M-2H+Na"	20.974666
"486625"	825.338266	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M-2H+Na"	20.974666
"864105"	289.095866	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-2H+Na"	20.974666
"1634116"	289.095866	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Na-2H"	20.974666
"109063"	285.102263	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M-H+Cl"	33.962126
"547652"	419.162863	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M-H+Cl"	33.962126
"937886"	151.041663	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-H+Cl"	33.962126
"275349"	571.211802	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+Cl"	34.969402
"666678"	839.333002	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+Cl"	34.969402
"1284547"	303.090602	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Cl"	34.969402
"24915"	573.191006	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M-2H+K"	36.948606
"465569"	841.312206	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M-2H+K"	36.948606
"838997"	305.069806	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-2H+K"	36.948606
"1564671"	305.069806	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+K-2H"	36.948606
"949273"	313.119394	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-H+HCOOH"	44.998194
"365304"	581.240601	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+HCOOH-H"	44.998201
"348093"	595.256251	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+Hac-H"	59.013851
"1496927"	327.135051	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Hac-H"	59.013851
"968844"	335.101351	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-H+NaCOOH"	66.980151
"115564"	303.090602	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+2Cl"	69.938804
"556217"	437.151202	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+2Cl"	69.938804
"1023558"	169.030002	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2Cl"	69.938804
"1253347"	347.040085	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Br"	78.918885
"1310328"	349.096072	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Cl+HCOOH"	80.974872
"1326731"	371.078029	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Cl+NaCOOH"	102.956829
"918883"	381.106786	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M-H+CF3COOH"	112.985586
"1293404"	417.083464	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Cl+CF3COOH"	148.962264
"1369013"	233.108524	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H-2H2O"	-35.012676
"1385781"	251.1185	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H-H2O"	-17.0027
"287655"	537.249676	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+H"	1.007276
"685544"	805.370876	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+H"	1.007276
"1354239"	269.128476	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H"	1.007276
"128948"	269.128476	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+2H"	2.014552
"574353"	403.189076	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+2H"	2.014552
"1043514"	135.067876	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2H"	2.014552
"206311"	179.754742666667	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+3H"	3.021828
"645869"	269.128476	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+3H"	3.021828
"1168738"	90.3810093333333	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+3H"	3.021828
"433107"	554.276223	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+NH4"	18.033823
"797749"	822.397423	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+NH4"	18.033823
"1696797"	286.155023	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+NH4"	18.033823
"344552"	277.6417495	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+H+NH4"	19.041099
"737706"	411.7023495	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+H+NH4"	19.041099
"1491892"	143.5811495	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H+NH4"	19.041099
"408018"	559.231618	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+Na"	22.989218
"769257"	827.352818	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+Na"	22.989218
"1617477"	291.110418	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Na"	22.989218
"326050"	280.119447	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+H+Na"	23.996494
"711910"	414.180047	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+H+Na"	23.996494
"1469011"	146.058847	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H+Na"	23.996494
"1064810"	97.7083233333333	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2H+Na"	25.00377
"1272729"	301.154686	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+CH3OH+H"	33.033486
"388708"	575.205558	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+K"	38.963158
"748975"	843.326758	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+K"	38.963158
"1555438"	307.084358	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+K"	38.963158
"313923"	288.106417	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+H+K"	39.970434
"706706"	422.167017	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+H+K"	39.970434
"1452262"	154.045817	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H+K"	39.970434
"237582"	578.276226	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+ACN+H"	42.033826
"1221229"	310.155026	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+ACN+H"	42.033826
"1198549"	155.581151	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+ACN+2H"	43.041102
"189959"	581.21356	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+2Na-H"	44.97116
"641815"	849.33476	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+2Na-H"	44.97116
"1144712"	313.09236	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2Na-H"	44.97116
"186177"	291.110418	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+2Na"	45.978436
"625738"	425.171018	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+2Na"	45.978436
"1129851"	157.049818	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2Na"	45.978436
"1411311"	105.035637333333	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H+2Na"	46.985712
"1441967"	315.133946	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H+HCOOH"	47.012746
"228382"	296.14344	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+3H2O+2H"	56.04448
"1520092"	329.18599	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+IsoProp+H"	61.06479
"419776"	299.097388	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+Na+K"	61.952376
"773843"	433.157988	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+Na+K"	61.952376
"1670171"	165.036788	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Na+K"	61.952376
"257055"	600.258168	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+ACN+Na"	64.015768
"1229765"	332.136968	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+ACN+Na"	64.015768
"1715128"	332.160493	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+NH4+HCOOH"	64.039293
"1182546"	112.362951333333	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+3Na"	68.967654
"1651834"	337.115888	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Na+HCOOH"	68.994688
"162587"	613.16144	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+2K-H"	76.91904
"610903"	881.28264	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+2K-H"	76.91904
"1096509"	345.04024	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2K-H"	76.91904
"154420"	307.084358	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"2M+2K"	77.926316
"596291"	441.144958	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"3M+2K"	77.926316
"1079582"	173.023758	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2K"	77.926316
"1114493"	347.054792	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2K+H"	78.933592
"1350639"	347.142407	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+DMSO+H"	79.021207
"1016615"	351.181576	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2ACN+H"	83.060376
"1535832"	352.175208	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+IsoProp+Na+H"	84.054008
"1004467"	176.094426	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+2ACN+2H"	84.067652
"1593503"	353.089828	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+K+HCOOH"	84.968628
"1414787"	383.121338	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+H+CF3COOH"	115.000138
"1150543"	196.607701	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+3ACN+2H"	125.094202
"1704469"	400.147885	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+NH4+CF3COOH"	132.026685
"1636110"	405.10328	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+Na+CF3COOH"	136.98208
"1583425"	421.07722	"C07541"	"Lysergic acid"	"C16H16N2O2"	"268.1212"	"M+K+CF3COOH"	152.95602
"812700"	323.1998	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M"	0
"980765"	304.18141	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-H2O-H"	-19.01839
"66820"	214.459257333333	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M-3H"	-3.021828
"514034"	322.192524	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M-3H"	-3.021828
"890743"	106.725990666667	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-3H"	-3.021828
"11505"	322.192524	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M-2H"	-2.014552
"452159"	483.792424	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M-2H"	-2.014552
"823400"	160.592624	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-2H"	-2.014552
"92143"	645.392324	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M-H"	-1.007276
"534142"	968.592124	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M-H"	-1.007276
"910248"	322.192524	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-H"	-1.007276
"61951"	662.418871	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M-2H+NH4"	16.019271
"502235"	985.618671	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M-2H+NH4"	16.019271
"879638"	339.219071	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-2H+NH4"	16.019271
"46240"	667.374266	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M-2H+Na"	20.974666
"485684"	990.574066	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M-2H+Na"	20.974666
"863605"	344.174466	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-2H+Na"	20.974666
"1634060"	344.174466	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Na-2H"	20.974666
"109540"	340.180863	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M-H+Cl"	33.962126
"547762"	501.780763	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M-H+Cl"	33.962126
"939819"	178.580963	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-H+Cl"	33.962126
"276552"	681.369002	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+Cl"	34.969402
"667881"	1004.568802	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+Cl"	34.969402
"1281377"	358.169202	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Cl"	34.969402
"30492"	683.348206	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M-2H+K"	36.948606
"467865"	1006.548006	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M-2H+K"	36.948606
"841293"	360.148406	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-2H+K"	36.948606
"1564781"	360.148406	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+K-2H"	36.948606
"948290"	368.197994	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-H+HCOOH"	44.998194
"367601"	691.397801	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+HCOOH-H"	44.998201
"347231"	705.413451	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+Hac-H"	59.013851
"1494851"	382.213651	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Hac-H"	59.013851
"970047"	390.179951	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-H+NaCOOH"	66.980151
"115674"	358.169202	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+2Cl"	69.938804
"556327"	519.769102	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+2Cl"	69.938804
"1022938"	196.569302	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2Cl"	69.938804
"1253457"	402.118685	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Br"	78.918885
"1313718"	404.174672	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Cl+HCOOH"	80.974872
"1326841"	426.156629	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Cl+NaCOOH"	102.956829
"918993"	436.185386	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M-H+CF3COOH"	112.985586
"1296794"	472.162064	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Cl+CF3COOH"	148.962264
"1368027"	288.187124	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H-2H2O"	-35.012676
"1383825"	306.1971	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H-H2O"	-17.0027
"286671"	647.406876	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+H"	1.007276
"679091"	970.606676	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+H"	1.007276
"1353256"	324.207076	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H"	1.007276
"127235"	324.207076	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+2H"	2.014552
"571178"	485.806976	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+2H"	2.014552
"1043260"	162.607176	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2H"	2.014552
"207881"	216.473809333333	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+3H"	3.021828
"647074"	324.207076	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+3H"	3.021828
"1168848"	108.740542666667	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+3H"	3.021828
"432123"	664.433423	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+NH4"	18.033823
"799925"	987.633223	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+NH4"	18.033823
"1696504"	341.233623	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+NH4"	18.033823
"343561"	332.7203495	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+H+NH4"	19.041099
"734524"	494.3202495	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+H+NH4"	19.041099
"1491758"	171.1204495	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H+NH4"	19.041099
"407400"	669.388818	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+Na"	22.989218
"768638"	992.588618	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+Na"	22.989218
"1616855"	346.189018	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Na"	22.989218
"325067"	335.198047	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+H+Na"	23.996494
"713113"	496.797947	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+H+Na"	23.996494
"1468028"	173.598147	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H+Na"	23.996494
"1064920"	116.067856666667	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2H+Na"	25.00377
"1272596"	356.233286	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+CH3OH+H"	33.033486
"383714"	685.362758	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+K"	38.963158
"744710"	1008.562558	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+K"	38.963158
"1551138"	362.162958	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+K"	38.963158
"313786"	343.185017	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+H+K"	39.970434
"704746"	504.784917	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+H+K"	39.970434
"1452371"	181.585117	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H+K"	39.970434
"238057"	688.433426	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+ACN+H"	42.033826
"1220246"	365.233626	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+ACN+H"	42.033826
"1196837"	183.120451	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+ACN+2H"	43.041102
"189705"	691.37076	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+2Na-H"	44.97116
"642411"	1014.57056	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+2Na-H"	44.97116
"1144822"	368.17096	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2Na-H"	44.97116
"185561"	346.189018	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+2Na"	45.978436
"626577"	507.788918	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+2Na"	45.978436
"1128987"	184.589118	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2Na"	45.978436
"1412150"	123.395170666667	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H+2Na"	46.985712
"1442443"	370.212546	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H+HCOOH"	47.012746
"229587"	351.22204	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+3H2O+2H"	56.04448
"1519108"	384.26459	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+IsoProp+H"	61.06479
"422074"	354.175988	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+Na+K"	61.952376
"773953"	515.775888	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+Na+K"	61.952376
"1668460"	192.576088	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Na+K"	61.952376
"255344"	710.415368	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+ACN+Na"	64.015768
"1230968"	387.215568	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+ACN+Na"	64.015768
"1716939"	387.239093	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+NH4+HCOOH"	64.039293
"1183749"	130.722484666667	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+3Na"	68.967654
"1656924"	392.194488	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Na+HCOOH"	68.994688
"163790"	723.31864	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+2K-H"	76.91904
"610649"	1046.51844	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+2K-H"	76.91904
"1096619"	400.11884	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2K-H"	76.91904
"156354"	362.162958	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"2M+2K"	77.926316
"597010"	523.762858	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"3M+2K"	77.926316
"1078599"	200.563058	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2K"	77.926316
"1113874"	402.133392	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2K+H"	78.933592
"1350261"	402.221007	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+DMSO+H"	79.021207
"1019884"	406.260176	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2ACN+H"	83.060376
"1539859"	407.253808	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+IsoProp+Na+H"	84.054008
"1004577"	203.633726	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+2ACN+2H"	84.067652
"1593613"	408.168428	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+K+HCOOH"	84.968628
"1414896"	438.199938	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+H+CF3COOH"	115.000138
"1150653"	224.147001	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+3ACN+2H"	125.094202
"1704579"	455.226485	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+NH4+CF3COOH"	132.026685
"1636220"	460.18188	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+Na+CF3COOH"	136.98208
"1583535"	476.15582	"C07542"	"Lysergic acid diethylamide;LSD;Lysergide"	"C20H25N3O"	"323.1998"	"M+K+CF3COOH"	152.95602
"810624"	325.179	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M"	0
"980875"	306.16061	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-H2O-H"	-19.01839
"70210"	215.778724	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M-3H"	-3.021828
"514144"	324.171724	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M-3H"	-3.021828
"890855"	107.385724	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-3H"	-3.021828
"12709"	324.171724	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M-2H"	-2.014552
"450084"	486.761224	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M-2H"	-2.014552
"830802"	161.582224	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-2H"	-2.014552
"93470"	649.350724	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M-H"	-1.007276
"534133"	974.529724	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M-H"	-1.007276
"909631"	324.171724	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-H"	-1.007276
"59268"	666.377271	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M-2H+NH4"	16.019271
"500650"	991.556271	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M-2H+NH4"	16.019271
"877602"	341.198271	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-2H+NH4"	16.019271
"45985"	671.332666	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M-2H+Na"	20.974666
"486035"	996.511666	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M-2H+Na"	20.974666
"862254"	346.153666	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-2H+Na"	20.974666
"1633122"	346.153666	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Na-2H"	20.974666
"107221"	342.160063	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M-H+Cl"	33.962126
"546779"	504.749563	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M-H+Cl"	33.962126
"939199"	179.570563	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-H+Cl"	33.962126
"278849"	685.327402	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+Cl"	34.969402
"667989"	1010.506402	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+Cl"	34.969402
"1284767"	360.148402	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Cl"	34.969402
"28415"	687.306606	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M-2H+K"	36.948606
"465788"	1012.485606	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M-2H+K"	36.948606
"840310"	362.127606	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-2H+K"	36.948606
"1563798"	362.127606	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+K-2H"	36.948606
"948400"	370.177194	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-H+HCOOH"	44.998194
"362608"	695.356201	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+HCOOH-H"	44.998201
"346612"	709.371851	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+Hac-H"	59.013851
"1496418"	384.192851	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Hac-H"	59.013851
"963596"	392.159151	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-H+NaCOOH"	66.980151
"113231"	360.148402	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+2Cl"	69.938804
"552061"	522.737902	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+2Cl"	69.938804
"1027420"	197.558902	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2Cl"	69.938804
"1254660"	404.097885	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Br"	78.918885
"1313828"	406.153872	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Cl+HCOOH"	80.974872
"1329138"	428.135829	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Cl+NaCOOH"	102.956829
"916916"	438.164586	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M-H+CF3COOH"	112.985586
"1295811"	474.141264	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Cl+CF3COOH"	148.962264
"1368502"	290.166324	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H-2H2O"	-35.012676
"1384907"	308.1763	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H-H2O"	-17.0027
"283865"	651.365276	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+H"	1.007276
"682481"	976.544276	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+H"	1.007276
"1354095"	326.186276	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H"	1.007276
"127346"	326.186276	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+2H"	2.014552
"571288"	488.775776	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+2H"	2.014552
"1043370"	163.596776	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2H"	2.014552
"211271"	217.793276	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+3H"	3.021828
"647548"	326.186276	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+3H"	3.021828
"1168958"	109.400276	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+3H"	3.021828
"434419"	668.391823	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+NH4"	18.033823
"799064"	993.570823	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+NH4"	18.033823
"1694305"	343.212823	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+NH4"	18.033823
"343671"	334.6995495	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+H+NH4"	19.041099
"733541"	497.2890495	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+H+NH4"	19.041099
"1491620"	172.1100495	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H+NH4"	19.041099
"407266"	673.347218	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+Na"	22.989218
"767772"	998.526218	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+Na"	22.989218
"1616967"	348.168218	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Na"	22.989218
"325542"	337.177247	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+H+Na"	23.996494
"715410"	499.766747	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+H+Na"	23.996494
"1468138"	174.587747	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H+Na"	23.996494
"1064302"	116.72759	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2H+Na"	25.00377
"1271328"	358.212486	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+CH3OH+H"	33.033486
"386740"	689.321158	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+K"	38.963158
"745913"	1014.500158	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+K"	38.963158
"1551248"	364.142158	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+K"	38.963158
"310611"	345.164217	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+H+K"	39.970434
"698658"	507.753717	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+H+K"	39.970434
"1449201"	182.574717	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H+K"	39.970434
"237074"	692.391826	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+ACN+H"	42.033826
"1221085"	367.212826	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+ACN+H"	42.033826
"1197676"	184.110051	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+ACN+2H"	43.041102
"190545"	695.32916	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+2Na-H"	44.97116
"641792"	1020.50816	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+2Na-H"	44.97116
"1144933"	370.15016	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2Na-H"	44.97116
"185669"	348.168218	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+2Na"	45.978436
"625955"	510.757718	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+2Na"	45.978436
"1128731"	185.578718	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2Na"	45.978436
"1411166"	124.054904	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H+2Na"	46.985712
"1444012"	372.191746	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H+HCOOH"	47.012746
"228604"	353.20124	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+3H2O+2H"	56.04448
"1514479"	386.24379	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+IsoProp+H"	61.06479
"422549"	356.155188	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+Na+K"	61.952376
"778438"	518.744688	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+Na+K"	61.952376
"1670394"	193.565688	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Na+K"	61.952376
"256184"	714.373768	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+ACN+Na"	64.015768
"1229986"	389.194768	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+ACN+Na"	64.015768
"1715593"	389.218293	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+NH4+HCOOH"	64.039293
"1183130"	131.382218	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+3Na"	68.967654
"1653755"	394.173688	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Na+HCOOH"	68.994688
"162807"	727.27704	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+2K-H"	76.91904
"611852"	1052.45604	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+2K-H"	76.91904
"1096729"	402.09804	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2K-H"	76.91904
"156829"	364.142158	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"2M+2K"	77.926316
"596590"	526.731658	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"3M+2K"	77.926316
"1084092"	201.552658	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2K"	77.926316
"1115203"	404.112592	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2K+H"	78.933592
"1350372"	404.200207	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+DMSO+H"	79.021207
"1020115"	408.239376	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2ACN+H"	83.060376
"1536053"	409.233008	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+IsoProp+Na+H"	84.054008
"999220"	204.623326	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+2ACN+2H"	84.067652
"1594816"	410.147628	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+K+HCOOH"	84.968628
"1415006"	440.179138	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+H+CF3COOH"	115.000138
"1150763"	225.136601	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+3ACN+2H"	125.094202
"1704689"	457.205685	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+NH4+CF3COOH"	132.026685
"1635966"	462.16108	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+Na+CF3COOH"	136.98208
"1583645"	478.13502	"C07543"	"Ergonovine;Ergometrine"	"C19H23N3O2"	"325.179"	"M+K+CF3COOH"	152.95602
"810734"	581.2638	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M"	0
"980985"	562.24541	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-H2O-H"	-19.01839
"70320"	386.501924	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M-3H"	-3.021828
"514254"	580.256524	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M-3H"	-3.021828
"890965"	192.747324	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-3H"	-3.021828
"9539"	580.256524	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M-2H"	-2.014552
"450194"	870.888424	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M-2H"	-2.014552
"827995"	289.624624	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-2H"	-2.014552
"93459"	1161.520324	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M-H"	-1.007276
"533392"	1742.784124	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M-H"	-1.007276
"910467"	580.256524	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-H"	-1.007276
"59010"	1178.546871	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M-2H+NH4"	16.019271
"499665"	1759.810671	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M-2H+NH4"	16.019271
"874915"	597.283071	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-2H+NH4"	16.019271
"42812"	1183.502266	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M-2H+Na"	20.974666
"482376"	1764.766066	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M-2H+Na"	20.974666
"860177"	602.238466	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-2H+Na"	20.974666
"1628616"	602.238466	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Na-2H"	20.974666
"106600"	598.244863	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M-H+Cl"	33.962126
"543245"	888.876763	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M-H+Cl"	33.962126
"936030"	307.612963	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-H+Cl"	33.962126
"276771"	1197.497002	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+Cl"	34.969402
"671379"	1778.760802	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+Cl"	34.969402
"1283784"	616.233202	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Cl"	34.969402
"25245"	1199.476206	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M-2H+K"	36.948606
"465898"	1780.740006	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M-2H+K"	36.948606
"840419"	618.212406	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-2H+K"	36.948606
"1561722"	618.212406	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+K-2H"	36.948606
"945230"	626.261994	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-H+HCOOH"	44.998194
"364541"	1207.525801	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+HCOOH-H"	44.998201
"346106"	1221.541451	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+Hac-H"	59.013851
"1493013"	640.277651	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Hac-H"	59.013851
"958841"	648.243951	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-H+NaCOOH"	66.980151
"110333"	616.233202	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+2Cl"	69.938804
"550138"	906.865102	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+2Cl"	69.938804
"1022305"	325.601302	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2Cl"	69.938804
"1254770"	660.182685	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Br"	78.918885
"1310658"	662.238672	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Cl+HCOOH"	80.974872
"1327061"	684.220629	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Cl+NaCOOH"	102.956829
"917026"	694.249386	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M-H+CF3COOH"	112.985586
"1293734"	730.226064	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Cl+CF3COOH"	148.962264
"1367275"	546.251124	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H-2H2O"	-35.012676
"1383436"	564.2611	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H-H2O"	-17.0027
"283365"	1163.534876	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+H"	1.007276
"677488"	1744.798676	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+H"	1.007276
"1351650"	582.271076	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H"	1.007276
"125994"	582.271076	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+2H"	2.014552
"570304"	872.902976	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+2H"	2.014552
"1043480"	291.639176	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2H"	2.014552
"211381"	388.516476	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+3H"	3.021828
"649116"	582.271076	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+3H"	3.021828
"1168336"	194.761876	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+3H"	3.021828
"426868"	1180.561423	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+NH4"	18.033823
"799174"	1761.825223	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+NH4"	18.033823
"1694779"	599.297623	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+NH4"	18.033823
"341959"	590.7843495	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+H+NH4"	19.041099
"733651"	881.4162495	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+H+NH4"	19.041099
"1492216"	300.1524495	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H+NH4"	19.041099
"408228"	1185.516818	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+Na"	22.989218
"768246"	1766.780618	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+Na"	22.989218
"1617322"	604.253018	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Na"	22.989218
"325652"	593.262047	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+H+Na"	23.996494
"716613"	883.893947	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+H+Na"	23.996494
"1469341"	302.630147	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H+Na"	23.996494
"1065141"	202.08919	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2H+Na"	25.00377
"1271803"	614.297286	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+CH3OH+H"	33.033486
"389037"	1201.490758	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+K"	38.963158
"748210"	1782.754558	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+K"	38.963158
"1551358"	620.226958	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+K"	38.963158
"310721"	601.249017	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+H+K"	39.970434
"698768"	891.880917	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+H+K"	39.970434
"1450404"	310.617117	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H+K"	39.970434
"239006"	1204.561426	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+ACN+H"	42.033826
"1222288"	623.297626	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+ACN+H"	42.033826
"1197786"	312.152451	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+ACN+2H"	43.041102
"190289"	1207.49876	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+2Na-H"	44.97116
"642255"	1788.76256	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+2Na-H"	44.97116
"1142853"	626.23496	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2Na-H"	44.97116
"185047"	604.253018	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+2Na"	45.978436
"624243"	894.884918	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+2Na"	45.978436
"1127019"	313.621118	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2Na"	45.978436
"1409088"	209.416504	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H+2Na"	46.985712
"1440477"	628.276546	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H+HCOOH"	47.012746
"229441"	609.28604	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+3H2O+2H"	56.04448
"1519691"	642.32859	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+IsoProp+H"	61.06479
"420836"	612.239988	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+Na+K"	61.952376
"771987"	902.871888	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+Na+K"	61.952376
"1666614"	321.608088	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Na+K"	61.952376
"255929"	1226.543368	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+ACN+Na"	64.015768
"1229732"	645.279568	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+ACN+Na"	64.015768
"1716432"	645.303093	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+NH4+HCOOH"	64.039293
"1178865"	216.743818	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+3Na"	68.967654
"1651677"	650.258488	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Na+HCOOH"	68.994688
"162917"	1239.44664	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+2K-H"	76.91904
"612207"	1820.71044	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+2K-H"	76.91904
"1096839"	658.18284	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2K-H"	76.91904
"155842"	620.226958	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"2M+2K"	77.926316
"596376"	910.858858	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"3M+2K"	77.926316
"1083318"	329.595058	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2K"	77.926316
"1113002"	660.197392	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2K+H"	78.933592
"1350361"	660.285007	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+DMSO+H"	79.021207
"1019011"	664.324176	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2ACN+H"	83.060376
"1537256"	665.317808	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+IsoProp+Na+H"	84.054008
"997143"	332.665726	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+2ACN+2H"	84.067652
"1592739"	666.232428	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+K+HCOOH"	84.968628
"1414871"	696.263938	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+H+CF3COOH"	115.000138
"1150873"	353.179001	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+3ACN+2H"	125.094202
"1701519"	713.290485	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+NH4+CF3COOH"	132.026685
"1636076"	718.24588	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+Na+CF3COOH"	136.98208
"1583755"	734.21982	"C07544"	"Ergotamine"	"C33H35N5O5"	"581.2638"	"M+K+CF3COOH"	152.95602
"811937"	575.3108	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M"	0
"984375"	556.29241	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H2O-H"	-19.01839
"73710"	382.533257333333	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-3H"	-3.021828
"514364"	574.303524	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-3H"	-3.021828
"888888"	190.762990666667	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-3H"	-3.021828
"7462"	574.303524	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H"	-2.014552
"450304"	861.958924	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H"	-2.014552
"828105"	286.648124	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H"	-2.014552
"93812"	1149.614324	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-H"	-1.007276
"534069"	1724.925124	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-H"	-1.007276
"911064"	574.303524	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H"	-1.007276
"59849"	1166.640871	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H+NH4"	16.019271
"500137"	1741.951671	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H+NH4"	16.019271
"876848"	591.330071	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H+NH4"	16.019271
"41830"	1171.596266	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H+Na"	20.974666
"484672"	1746.907066	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H+Na"	20.974666
"862474"	596.285466	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H+Na"	20.974666
"1629819"	596.285466	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na-2H"	20.974666
"106346"	592.291863	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-H+Cl"	33.962126
"542628"	879.947263	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-H+Cl"	33.962126
"936142"	304.636463	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+Cl"	33.962126
"279068"	1185.591002	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Cl"	34.969402
"670396"	1760.901802	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+Cl"	34.969402
"1281706"	610.280202	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl"	34.969402
"22075"	1187.570206	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H+K"	36.948606
"468195"	1762.881006	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H+K"	36.948606
"843809"	612.259406	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H+K"	36.948606
"1561830"	612.259406	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K-2H"	36.948606
"944367"	620.308994	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+HCOOH"	44.998194
"364651"	1195.619801	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+HCOOH-H"	44.998201
"346821"	1209.635451	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Hac-H"	59.013851
"1493229"	634.324651	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Hac-H"	59.013851
"958787"	642.290951	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+NaCOOH"	66.980151
"110279"	610.280202	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2Cl"	69.938804
"550448"	897.935602	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2Cl"	69.938804
"1021401"	322.624802	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2Cl"	69.938804
"1255731"	654.229685	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Br"	78.918885
"1314048"	656.285672	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl+HCOOH"	80.974872
"1327171"	678.267629	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl+NaCOOH"	102.956829
"917136"	688.296386	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+CF3COOH"	112.985586
"1293844"	724.273064	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl+CF3COOH"	148.962264
"1367264"	540.298124	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H-2H2O"	-35.012676
"1383174"	558.3081	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H-H2O"	-17.0027
"284448"	1151.628876	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H"	1.007276
"676626"	1726.939676	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H"	1.007276
"1351878"	576.318076	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H"	1.007276
"126592"	576.318076	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2H"	2.014552
"573694"	863.973476	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2H"	2.014552
"1045777"	288.662676	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2H"	2.014552
"214771"	384.547809333333	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+3H"	3.021828
"651050"	576.318076	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+3H"	3.021828
"1168446"	192.777542666667	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+3H"	3.021828
"425886"	1168.655423	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+NH4"	18.033823
"799648"	1743.966223	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+NH4"	18.033823
"1696668"	593.344623	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+NH4"	18.033823
"342433"	584.8313495	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H+NH4"	19.041099
"733761"	872.4867495	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H+NH4"	19.041099
"1492652"	297.1759495	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+NH4"	19.041099
"407363"	1173.610818	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Na"	22.989218
"768355"	1748.921618	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+Na"	22.989218
"1618311"	598.300018	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na"	22.989218
"326490"	587.309047	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H+Na"	23.996494
"716723"	874.964447	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H+Na"	23.996494
"1469451"	299.653647	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+Na"	23.996494
"1065615"	200.104856666667	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2H+Na"	25.00377
"1272155"	608.344286	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+CH3OH+H"	33.033486
"384044"	1189.584758	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+K"	38.963158
"746133"	1764.895558	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+K"	38.963158
"1551468"	614.273958	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K"	38.963158
"310831"	595.296017	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H+K"	39.970434
"698878"	882.951417	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H+K"	39.970434
"1448691"	307.640617	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+K"	39.970434
"239116"	1192.655426	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+ACN+H"	42.033826
"1220576"	617.344626	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+ACN+H"	42.033826
"1197896"	309.175951	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+ACN+2H"	43.041102
"191858"	1195.59276	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2Na-H"	44.97116
"642969"	1770.90356	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2Na-H"	44.97116
"1145149"	620.28196	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2Na-H"	44.97116
"184791"	598.300018	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2Na"	45.978436
"625082"	885.955418	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2Na"	45.978436
"1125670"	310.644618	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2Na"	45.978436
"1412117"	207.432170666667	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+2Na"	46.985712
"1441315"	622.323546	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+HCOOH"	47.012746
"226636"	603.33304	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+3H2O+2H"	56.04448
"1521988"	636.37559	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+IsoProp+H"	61.06479
"420582"	606.286988	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Na+K"	61.952376
"778662"	893.942388	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+Na+K"	61.952376
"1666724"	318.631588	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na+K"	61.952376
"256039"	1214.637368	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+ACN+Na"	64.015768
"1229842"	639.326568	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+ACN+Na"	64.015768
"1715449"	639.350093	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+NH4+HCOOH"	64.039293
"1179707"	214.759484666667	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+3Na"	68.967654
"1652151"	644.305488	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na+HCOOH"	68.994688
"160841"	1227.54064	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2K-H"	76.91904
"612162"	1802.85144	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2K-H"	76.91904
"1099142"	652.22984	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2K-H"	76.91904
"156931"	614.273958	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2K"	77.926316
"596363"	901.929358	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2K"	77.926316
"1084119"	326.618558	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2K"	77.926316
"1115057"	654.244392	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2K+H"	78.933592
"1350472"	654.332007	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+DMSO+H"	79.021207
"1020215"	658.371176	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2ACN+H"	83.060376
"1537366"	659.364808	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+IsoProp+Na+H"	84.054008
"997253"	329.689226	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2ACN+2H"	84.067652
"1590662"	660.279428	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K+HCOOH"	84.968628
"1415226"	690.310938	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+CF3COOH"	115.000138
"1150983"	350.202501	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+3ACN+2H"	125.094202
"1701629"	707.337485	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+NH4+CF3COOH"	132.026685
"1644934"	712.29288	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na+CF3COOH"	136.98208
"1583865"	728.26682	"C07545"	"alpha-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K+CF3COOH"	152.95602
"809860"	290.2206	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M"	0
"979017"	271.20221	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-H2O-H"	-19.01839
"73821"	192.473124	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M-3H"	-3.021828
"518124"	289.213324	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M-3H"	-3.021828
"888999"	95.732924	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-3H"	-3.021828
"15106"	289.213324	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M-2H"	-2.014552
"450414"	434.323624	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M-2H"	-2.014552
"828215"	144.103024	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-2H"	-2.014552
"93518"	579.433924	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M-H"	-1.007276
"533979"	869.654524	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M-H"	-1.007276
"910202"	289.213324	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-H"	-1.007276
"61054"	596.460471	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M-2H+NH4"	16.019271
"498428"	886.681071	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M-2H+NH4"	16.019271
"876230"	306.239871	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-2H+NH4"	16.019271
"41941"	601.415866	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M-2H+Na"	20.974666
"483690"	891.636466	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M-2H+Na"	20.974666
"858210"	311.195266	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-2H+Na"	20.974666
"1631024"	311.195266	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Na-2H"	20.974666
"106458"	307.201663	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M-H+Cl"	33.962126
"544923"	452.311963	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M-H+Cl"	33.962126
"936253"	162.091363	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-H+Cl"	33.962126
"276993"	615.410602	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+Cl"	34.969402
"671599"	905.631202	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+Cl"	34.969402
"1286190"	325.190002	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Cl"	34.969402
"27655"	617.389806	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M-2H+K"	36.948606
"466120"	907.610406	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M-2H+K"	36.948606
"847201"	327.169206	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-2H+K"	36.948606
"1563034"	327.169206	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+K-2H"	36.948606
"945450"	335.218794	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-H+HCOOH"	44.998194
"362815"	625.439401	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+HCOOH-H"	44.998201
"347551"	639.455051	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+Hac-H"	59.013851
"1493341"	349.234451	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Hac-H"	59.013851
"959546"	357.200751	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-H+NaCOOH"	66.980151
"112467"	325.190002	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+2Cl"	69.938804
"551661"	470.300302	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+2Cl"	69.938804
"1022160"	180.079702	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2Cl"	69.938804
"1256083"	369.139485	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Br"	78.918885
"1309783"	371.195472	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Cl+HCOOH"	80.974872
"1329468"	393.177429	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Cl+NaCOOH"	102.956829
"919433"	403.206186	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M-H+CF3COOH"	112.985586
"1291402"	439.182864	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Cl+CF3COOH"	148.962264
"1371022"	255.207924	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H-2H2O"	-35.012676
"1388518"	273.2179	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H-H2O"	-17.0027
"283220"	581.448476	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+H"	1.007276
"676979"	871.669076	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+H"	1.007276
"1352596"	291.227876	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H"	1.007276
"128770"	291.227876	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+2H"	2.014552
"575991"	436.338176	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+2H"	2.014552
"1046983"	146.117576	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2H"	2.014552
"208321"	194.487676	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+3H"	3.021828
"648974"	291.227876	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+3H"	3.021828
"1166004"	97.747476	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+3H"	3.021828
"426724"	598.475023	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+NH4"	18.033823
"794650"	888.695623	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+NH4"	18.033823
"1695725"	308.254423	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+NH4"	18.033823
"342543"	299.7411495	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+H+NH4"	19.041099
"737159"	444.8514495	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+H+NH4"	19.041099
"1491704"	154.6308495	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H+NH4"	19.041099
"405282"	603.430418	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+Na"	22.989218
"762998"	893.651018	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+Na"	22.989218
"1617536"	313.209818	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Na"	22.989218
"324413"	302.218847	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+H+Na"	23.996494
"714646"	447.329147	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+H+Na"	23.996494
"1470656"	157.108547	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H+Na"	23.996494
"1066088"	105.07479	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2H+Na"	25.00377
"1271778"	323.254086	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+CH3OH+H"	33.033486
"391446"	619.404358	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+K"	38.963158
"750616"	909.624958	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+K"	38.963158
"1555146"	329.183758	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+K"	38.963158
"313253"	310.205817	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+H+K"	39.970434
"705547"	455.316117	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+H+K"	39.970434
"1450624"	165.095517	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H+K"	39.970434
"240319"	622.475026	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+ACN+H"	42.033826
"1220686"	332.254426	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+ACN+H"	42.033826
"1203474"	166.630851	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+ACN+2H"	43.041102
"194158"	625.41236	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+2Na-H"	44.97116
"642838"	915.63296	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+2Na-H"	44.97116
"1143071"	335.19176	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2Na-H"	44.97116
"186363"	313.209818	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+2Na"	45.978436
"626652"	458.320118	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+2Na"	45.978436
"1128698"	168.099518	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2Na"	45.978436
"1410402"	112.402104	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H+2Na"	46.985712
"1440331"	337.233346	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H+HCOOH"	47.012746
"225652"	318.24284	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+3H2O+2H"	56.04448
"1515902"	351.28539	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+IsoProp+H"	61.06479
"416681"	321.196788	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+Na+K"	61.952376
"778765"	466.307088	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+Na+K"	61.952376
"1670721"	176.086488	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Na+K"	61.952376
"253958"	644.456968	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+ACN+Na"	64.015768
"1231043"	354.236368	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+ACN+Na"	64.015768
"1715555"	354.259893	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+NH4+HCOOH"	64.039293
"1183098"	119.729418	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+3Na"	68.967654
"1652994"	359.215288	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Na+HCOOH"	68.994688
"159129"	657.36024	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+2K-H"	76.91904
"610367"	947.58084	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+2K-H"	76.91904
"1099246"	367.13964	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2K-H"	76.91904
"153875"	329.183758	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"2M+2K"	77.926316
"596474"	474.294058	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"3M+2K"	77.926316
"1083659"	184.073458	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2K"	77.926316
"1115171"	369.154192	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2K+H"	78.933592
"1349488"	369.241807	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+DMSO+H"	79.021207
"1019231"	373.280976	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2ACN+H"	83.060376
"1535289"	374.274608	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+IsoProp+Na+H"	84.054008
"995176"	187.144126	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+2ACN+2H"	84.067652
"1588585"	375.189228	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+K+HCOOH"	84.968628
"1414971"	405.220738	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+H+CF3COOH"	115.000138
"1148540"	207.657401	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+3ACN+2H"	125.094202
"1698458"	422.247285	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+NH4+CF3COOH"	132.026685
"1636296"	427.20268	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+Na+CF3COOH"	136.98208
"1583975"	443.17662	"C07546"	"Succinylcholine;Suxamethonium"	"C14H30N2O4"	"290.2206"	"M+K+CF3COOH"	152.95602
"813250"	609.2965	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M"	0
"986782"	590.27811	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-H2O-H"	-19.01839
"73932"	405.190390666667	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M-3H"	-3.021828
"517504"	608.289224	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M-3H"	-3.021828
"893848"	202.091557333333	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-3H"	-3.021828
"9870"	608.289224	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M-2H"	-2.014552
"450522"	912.937474	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M-2H"	-2.014552
"828325"	303.640974	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-2H"	-2.014552
"87224"	1217.585724	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M-H"	-1.007276
"533928"	1826.882224	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M-H"	-1.007276
"910759"	608.289224	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-H"	-1.007276
"60439"	1234.612271	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M-2H+NH4"	16.019271
"500607"	1843.908771	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M-2H+NH4"	16.019271
"878650"	625.315771	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-2H+NH4"	16.019271
"46827"	1239.567666	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M-2H+Na"	20.974666
"486596"	1848.864166	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M-2H+Na"	20.974666
"863996"	630.271166	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-2H+Na"	20.974666
"1634017"	630.271166	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Na-2H"	20.974666
"109855"	626.277563	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M-H+Cl"	33.962126
"549820"	930.925813	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M-H+Cl"	33.962126
"939643"	321.629313	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-H+Cl"	33.962126
"278196"	1253.562402	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+Cl"	34.969402
"671709"	1862.858902	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+Cl"	34.969402
"1286300"	644.265902	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Cl"	34.969402
"29224"	1255.541606	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M-2H+K"	36.948606
"466230"	1864.838106	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M-2H+K"	36.948606
"846218"	646.245106	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-2H+K"	36.948606
"1564237"	646.245106	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+K-2H"	36.948606
"945560"	654.294694	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-H+HCOOH"	44.998194
"364871"	1263.591201	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+HCOOH-H"	44.998201
"347661"	1277.606851	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+Hac-H"	59.013851
"1493004"	668.310351	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Hac-H"	59.013851
"958617"	676.276651	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-H+NaCOOH"	66.980151
"112213"	644.265902	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+2Cl"	69.938804
"551529"	948.914152	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+2Cl"	69.938804
"1021580"	339.617652	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2Cl"	69.938804
"1252913"	688.215385	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Br"	78.918885
"1309893"	690.271372	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Cl+HCOOH"	80.974872
"1326297"	712.253329	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Cl+NaCOOH"	102.956829
"914074"	722.282086	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M-H+CF3COOH"	112.985586
"1289688"	758.258764	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Cl+CF3COOH"	148.962264
"1368945"	574.283824	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H-2H2O"	-35.012676
"1386442"	592.2938	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H-H2O"	-17.0027
"282838"	1219.600276	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+H"	1.007276
"678548"	1828.896776	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+H"	1.007276
"1351350"	610.303776	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H"	1.007276
"126328"	610.303776	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+2H"	2.014552
"576101"	914.952026	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+2H"	2.014552
"1048916"	305.655526	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2H"	2.014552
"217907"	407.204942666667	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+3H"	3.021828
"655644"	610.303776	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+3H"	3.021828
"1167210"	204.106109333333	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+3H"	3.021828
"425742"	1236.626823	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+NH4"	18.033823
"794760"	1845.923323	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+NH4"	18.033823
"1694377"	627.330323	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+NH4"	18.033823
"341561"	618.8170495	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+H+NH4"	19.041099
"737593"	923.4652995	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+H+NH4"	19.041099
"1491451"	314.1687995	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H+NH4"	19.041099
"408192"	1241.582218	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+Na"	22.989218
"769552"	1850.878718	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+Na"	22.989218
"1617937"	632.285718	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Na"	22.989218
"324523"	621.294747	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+H+Na"	23.996494
"718039"	925.942997	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+H+Na"	23.996494
"1475142"	316.646497	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H+Na"	23.996494
"1066200"	211.433423333333	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2H+Na"	25.00377
"1272219"	642.329986	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+CH3OH+H"	33.033486
"389731"	1257.556158	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+K"	38.963158
"749633"	1866.852658	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+K"	38.963158
"1554605"	648.259658	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+K"	38.963158
"313650"	629.281717	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+H+K"	39.970434
"705293"	933.929967	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+H+K"	39.970434
"1455110"	324.633467	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H+K"	39.970434
"242617"	1260.626826	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+ACN+H"	42.033826
"1224076"	651.330326	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+ACN+H"	42.033826
"1202492"	326.168801	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+ACN+2H"	43.041102
"193174"	1263.56416	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+2Na-H"	44.97116
"641494"	1872.86066	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+2Na-H"	44.97116
"1146106"	654.26766	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2Na-H"	44.97116
"187939"	632.285718	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+2Na"	45.978436
"627621"	936.933968	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+2Na"	45.978436
"1130762"	327.637468	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2Na"	45.978436
"1412335"	218.760737333333	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H+2Na"	46.985712
"1442994"	656.309246	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H+HCOOH"	47.012746
"225763"	637.31874	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+3H2O+2H"	56.04448
"1520387"	670.36129	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+IsoProp+H"	61.06479
"417885"	640.272688	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+Na+K"	61.952376
"782155"	944.920938	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+Na+K"	61.952376
"1673019"	335.624438	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Na+K"	61.952376
"261724"	1282.608768	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+ACN+Na"	64.015768
"1234434"	673.312268	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+ACN+Na"	64.015768
"1720039"	673.335793	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+NH4+HCOOH"	64.039293
"1186485"	226.088051333333	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+3Na"	68.967654
"1653832"	678.291188	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Na+HCOOH"	68.994688
"161054"	1295.51204	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+2K-H"	76.91904
"611569"	1904.80854	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+2K-H"	76.91904
"1098391"	686.21554	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2K-H"	76.91904
"156706"	648.259658	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"2M+2K"	77.926316
"594636"	952.907908	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"3M+2K"	77.926316
"1076961"	343.611408	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2K"	77.926316
"1114303"	688.230092	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2K+H"	78.933592
"1350449"	688.317707	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+DMSO+H"	79.021207
"1016180"	692.356876	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2ACN+H"	83.060376
"1532118"	693.350508	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+IsoProp+Na+H"	84.054008
"994190"	346.682076	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+2ACN+2H"	84.067652
"1588694"	694.265128	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+K+HCOOH"	84.968628
"1415810"	724.296638	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+H+CF3COOH"	115.000138
"1149744"	367.195351	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+3ACN+2H"	125.094202
"1698568"	741.323185	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+NH4+CF3COOH"	132.026685
"1639686"	746.27858	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+Na+CF3COOH"	136.98208
"1584085"	762.25252	"C07547"	"Tubocurarine"	"C37H41N2O6"	"609.2965"	"M+K+CF3COOH"	152.95602
"812267"	928.5085	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M"	0
"981424"	909.49011	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-H2O-H"	-19.01839
"72947"	617.998390666667	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M-3H"	-3.021828
"509228"	927.501224	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M-3H"	-3.021828
"888126"	308.495557333333	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-3H"	-3.021828
"8885"	927.501224	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M-2H"	-2.014552
"447351"	1391.755474	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M-2H"	-2.014552
"824061"	463.246974	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-2H"	-2.014552
"85145"	1856.009724	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M-H"	-1.007276
"526892"	2784.518224	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M-H"	-1.007276
"910782"	927.501224	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-H"	-1.007276
"62767"	1873.036271	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M-2H+NH4"	16.019271
"500718"	2801.544771	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M-2H+NH4"	16.019271
"879449"	944.527771	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-2H+NH4"	16.019271
"46046"	1877.991666	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M-2H+Na"	20.974666
"486425"	2806.500166	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M-2H+Na"	20.974666
"864145"	949.483166	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-2H+Na"	20.974666
"1634101"	949.483166	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Na-2H"	20.974666
"108743"	945.489563	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M-H+Cl"	33.962126
"546236"	1409.743813	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M-H+Cl"	33.962126
"939753"	481.235313	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-H+Cl"	33.962126
"277213"	1891.986402	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+Cl"	34.969402
"671819"	2820.494902	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+Cl"	34.969402
"1284955"	963.477902	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Cl"	34.969402
"24594"	1893.965606	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M-2H+K"	36.948606
"467436"	2822.474106	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M-2H+K"	36.948606
"846328"	965.457106	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-2H+K"	36.948606
"1564347"	965.457106	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+K-2H"	36.948606
"945669"	973.506694	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-H+HCOOH"	44.998194
"364981"	1902.015201	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+HCOOH-H"	44.998201
"347770"	1916.030851	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+Hac-H"	59.013851
"1493116"	987.522351	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Hac-H"	59.013851
"958917"	995.488651	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-H+NaCOOH"	66.980151
"112324"	963.477902	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+2Cl"	69.938804
"551518"	1427.732152	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+2Cl"	69.938804
"1022136"	499.223652	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2Cl"	69.938804
"1253023"	1007.427385	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Br"	78.918885
"1310003"	1009.483372	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Cl+HCOOH"	80.974872
"1328595"	1031.465329	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Cl+NaCOOH"	102.956829
"912119"	1041.494086	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M-H+CF3COOH"	112.985586
"1288826"	1077.470764	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Cl+CF3COOH"	148.962264
"1369055"	893.495824	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H-2H2O"	-35.012676
"1384365"	911.5058	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H-H2O"	-17.0027
"283155"	1858.024276	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+H"	1.007276
"679751"	2786.532776	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+H"	1.007276
"1352093"	929.515776	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H"	1.007276
"127896"	929.515776	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+2H"	2.014552
"577304"	1393.770026	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+2H"	2.014552
"1048295"	465.261526	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2H"	2.014552
"217289"	620.012942666667	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+3H"	3.021828
"657942"	929.515776	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+3H"	3.021828
"1166591"	310.510109333333	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+3H"	3.021828
"425124"	1875.050823	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+NH4"	18.033823
"794870"	2803.559323	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+NH4"	18.033823
"1693758"	946.542323	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+NH4"	18.033823
"341306"	938.0290495	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+H+NH4"	19.041099
"737380"	1402.2832995	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+H+NH4"	19.041099
"1491683"	473.7747995	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H+NH4"	19.041099
"407695"	1880.006218	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+Na"	22.989218
"769419"	2808.514718	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+Na"	22.989218
"1616909"	951.497718	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Na"	22.989218
"325364"	940.506747	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+H+Na"	23.996494
"715959"	1404.760997	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+H+Na"	23.996494
"1475253"	476.252497	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H+Na"	23.996494
"1064124"	317.837423333333	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2H+Na"	25.00377
"1272000"	961.541986	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+CH3OH+H"	33.033486
"389477"	1895.980158	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+K"	38.963158
"749742"	2824.488658	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+K"	38.963158
"1547421"	967.471658	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+K"	38.963158
"310796"	948.493717	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+H+K"	39.970434
"701394"	1412.747967	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+H+K"	39.970434
"1455220"	484.239467	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H+K"	39.970434
"240541"	1899.050826	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+ACN+H"	42.033826
"1223094"	970.542326	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+ACN+H"	42.033826
"1202602"	485.774801	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+ACN+2H"	43.041102
"193284"	1901.98816	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+2Na-H"	44.97116
"641241"	2830.49666	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+2Na-H"	44.97116
"1145850"	973.47966	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2Na-H"	44.97116
"187928"	951.497718	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+2Na"	45.978436
"627971"	1415.751968	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+2Na"	45.978436
"1131072"	487.243468	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2Na"	45.978436
"1412811"	325.164737333333	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H+2Na"	46.985712
"1444806"	975.521246	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H+HCOOH"	47.012746
"232435"	956.53074	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+3H2O+2H"	56.04448
"1523656"	989.57329	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+IsoProp+H"	61.06479
"423423"	959.484688	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+Na+K"	61.952376
"776802"	1423.738938	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+Na+K"	61.952376
"1673134"	495.230438	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Na+K"	61.952376
"259650"	1921.032768	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+ACN+Na"	64.015768
"1234547"	992.524268	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+ACN+Na"	64.015768
"1719422"	992.547793	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+NH4+HCOOH"	64.039293
"1185506"	332.492051333333	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+3Na"	68.967654
"1653213"	997.503188	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Na+HCOOH"	68.994688
"161165"	1933.93604	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+2K-H"	76.91904
"609860"	2862.44454	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+2K-H"	76.91904
"1098016"	1005.42754	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2K-H"	76.91904
"157112"	967.471658	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"2M+2K"	77.926316
"596086"	1431.725908	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"3M+2K"	77.926316
"1083149"	503.217408	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2K"	77.926316
"1115503"	1007.442092	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2K+H"	78.933592
"1351088"	1007.529707	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+DMSO+H"	79.021207
"1020912"	1011.568876	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2ACN+H"	83.060376
"1536603"	1012.562508	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+IsoProp+Na+H"	84.054008
"997583"	506.288076	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+2ACN+2H"	84.067652
"1589169"	1013.477128	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+K+HCOOH"	84.968628
"1415556"	1043.508638	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+H+CF3COOH"	115.000138
"1149126"	526.801351	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+3ACN+2H"	125.094202
"1698678"	1060.535185	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+NH4+CF3COOH"	132.026685
"1639796"	1065.49058	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+Na+CF3COOH"	136.98208
"1584195"	1081.46452	"C07548"	"Atracurium"	"C53H72N2O12"	"928.5085"	"M+K+CF3COOH"	152.95602
"815293"	1034.5351	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M"	0
"981535"	1015.51671	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-H2O-H"	-19.01839
"71964"	688.682790666667	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M-3H"	-3.021828
"510431"	1033.527824	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M-3H"	-3.021828
"887141"	343.837757333333	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-3H"	-3.021828
"8994"	1033.527824	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M-2H"	-2.014552
"448555"	1550.795374	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M-2H"	-2.014552
"825264"	516.260274	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-2H"	-2.014552
"85255"	2068.062924	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M-H"	-1.007276
"525909"	3102.598024	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M-H"	-1.007276
"908947"	1033.527824	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-H"	-1.007276
"61621"	2085.089471	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M-2H+NH4"	16.019271
"502161"	3119.624571	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M-2H+NH4"	16.019271
"878983"	1050.554371	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-2H+NH4"	16.019271
"45910"	2090.044866	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M-2H+Na"	20.974666
"485720"	3124.579966	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M-2H+Na"	20.974666
"863523"	1055.509766	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-2H+Na"	20.974666
"1633779"	1055.509766	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Na-2H"	20.974666
"109667"	1051.516163	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M-H+Cl"	33.962126
"546346"	1568.783713	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M-H+Cl"	33.962126
"941320"	534.248613	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-H+Cl"	33.962126
"280238"	2104.039602	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+Cl"	34.969402
"671929"	3138.574702	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+Cl"	34.969402
"1285064"	1069.504502	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Cl"	34.969402
"29077"	2106.018806	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M-2H+K"	36.948606
"466450"	3140.553906	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M-2H+K"	36.948606
"844251"	1071.483706	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-2H+K"	36.948606
"1561177"	1071.483706	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+K-2H"	36.948606
"945779"	1079.533294	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-H+HCOOH"	44.998194
"365091"	2114.068401	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+HCOOH-H"	44.998201
"347880"	2128.084051	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+Hac-H"	59.013851
"1492757"	1093.548951	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Hac-H"	59.013851
"958784"	1101.515251	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-H+NaCOOH"	66.980151
"110609"	1069.504502	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+2Cl"	69.938804
"550535"	1586.772052	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+2Cl"	69.938804
"1021999"	552.236952	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2Cl"	69.938804
"1241945"	1113.453985	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Br"	78.918885
"1310112"	1115.509972	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Cl+HCOOH"	80.974872
"1326518"	1137.491929	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Cl+NaCOOH"	102.956829
"915387"	1147.520686	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M-H+CF3COOH"	112.985586
"1290028"	1183.497364	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Cl+CF3COOH"	148.962264
"1370258"	999.522424	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H-2H2O"	-35.012676
"1383745"	1017.5324	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H-H2O"	-17.0027
"282994"	2070.077476	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+H"	1.007276
"683141"	3104.612576	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+H"	1.007276
"1353045"	1035.542376	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H"	1.007276
"126910"	1035.542376	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+2H"	2.014552
"571946"	1552.809926	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+2H"	2.014552
"1044027"	518.274826	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2H"	2.014552
"211932"	690.697342666667	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+3H"	3.021828
"652584"	1035.542376	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+3H"	3.021828
"1166337"	345.852309333333	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+3H"	3.021828
"425963"	2087.104023	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+NH4"	18.033823
"796073"	3121.639123	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+NH4"	18.033823
"1694593"	1052.568923	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+NH4"	18.033823
"342873"	1044.0556495	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+H+NH4"	19.041099
"734199"	1561.3231995	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+H+NH4"	19.041099
"1482550"	526.7880995	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H+NH4"	19.041099
"405242"	2092.059418	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+Na"	22.989218
"769163"	3126.594518	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+Na"	22.989218
"1617629"	1057.524318	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Na"	22.989218
"326203"	1046.533347	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+H+Na"	23.996494
"718988"	1563.800897	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+H+Na"	23.996494
"1474268"	529.265797	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H+Na"	23.996494
"1065325"	353.179623333333	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2H+Na"	25.00377
"1271989"	1067.568586	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+CH3OH+H"	33.033486
"387400"	2108.033358	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+K"	38.963158
"750217"	3142.568458	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+K"	38.963158
"1549353"	1073.498258	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+K"	38.963158
"310542"	1054.520317	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+H+K"	39.970434
"701869"	1571.787867	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+H+K"	39.970434
"1452050"	537.252767	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H+K"	39.970434
"241014"	2111.104026	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+ACN+H"	42.033826
"1223568"	1076.568926	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+ACN+H"	42.033826
"1203805"	538.788101	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+ACN+2H"	43.041102
"195580"	2114.04136	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+2Na-H"	44.97116
"640986"	3148.57646	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+2Na-H"	44.97116
"1146286"	1079.50626	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2Na-H"	44.97116
"188521"	1057.524318	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+2Na"	45.978436
"628429"	1574.791868	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+2Na"	45.978436
"1131290"	540.256768	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2Na"	45.978436
"1413454"	360.506937333333	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H+2Na"	46.985712
"1445165"	1081.547846	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H+HCOOH"	47.012746
"235642"	1062.55734	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+3H2O+2H"	56.04448
"1523732"	1095.59989	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+IsoProp+H"	61.06479
"424148"	1065.511288	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+Na+K"	61.952376
"782747"	1582.778838	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+Na+K"	61.952376
"1677620"	548.243738	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Na+K"	61.952376
"262681"	2133.085968	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+ACN+Na"	64.015768
"1235752"	1098.550868	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+ACN+Na"	64.015768
"1720261"	1098.574393	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+NH4+HCOOH"	64.039293
"1187803"	367.834251333333	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+3Na"	68.967654
"1654420"	1103.529788	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Na+HCOOH"	68.994688
"166741"	2145.98924	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+2K-H"	76.91904
"612522"	3180.52434	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+2K-H"	76.91904
"1099100"	1111.45414	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2K-H"	76.91904
"156806"	1073.498258	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"2M+2K"	77.926316
"597017"	1590.765808	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"3M+2K"	77.926316
"1083381"	556.230708	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2K"	77.926316
"1115595"	1113.468692	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2K+H"	78.933592
"1351275"	1113.556307	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+DMSO+H"	79.021207
"1020655"	1117.595476	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2ACN+H"	83.060376
"1535619"	1118.589108	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+IsoProp+Na+H"	84.054008
"998786"	559.301376	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+2ACN+2H"	84.067652
"1587941"	1119.503728	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+K+HCOOH"	84.968628
"1418944"	1149.535238	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+H+CF3COOH"	115.000138
"1148143"	579.814651	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+3ACN+2H"	125.094202
"1699882"	1166.561785	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+NH4+CF3COOH"	132.026685
"1645374"	1171.51718	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+Na+CF3COOH"	136.98208
"1584305"	1187.49112	"C07549"	"Doxacurium"	"C56H78N2O16"	"1034.5351"	"M+K+CF3COOH"	152.95602
"815767"	1028.561	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M"	0
"986020"	1009.54261	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-H2O-H"	-19.01839
"72075"	684.700057333333	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M-3H"	-3.021828
"514915"	1027.553724	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M-3H"	-3.021828
"886158"	341.846390666667	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-3H"	-3.021828
"8012"	1027.553724	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M-2H"	-2.014552
"447572"	1541.834224	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M-2H"	-2.014552
"826470"	513.273224	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-2H"	-2.014552
"89740"	2056.114724	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M-H"	-1.007276
"531854"	3084.675724	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M-H"	-1.007276
"909899"	1027.553724	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-H"	-1.007276
"60399"	2073.141271	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M-2H+NH4"	16.019271
"500206"	3101.702271	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M-2H+NH4"	16.019271
"877520"	1044.580271	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-2H+NH4"	16.019271
"45054"	2078.096666	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M-2H+Na"	20.974666
"485586"	3106.657666	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M-2H+Na"	20.974666
"861925"	1049.535666	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-2H+Na"	20.974666
"1633159"	1049.535666	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Na-2H"	20.974666
"106892"	1045.542063	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M-H+Cl"	33.962126
"548642"	1559.822563	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M-H+Cl"	33.962126
"939971"	531.261563	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-H+Cl"	33.962126
"280712"	2092.091402	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+Cl"	34.969402
"672039"	3120.652402	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+Cl"	34.969402
"1287239"	1063.530402	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Cl"	34.969402
"29186"	2094.070606	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M-2H+K"	36.948606
"466559"	3122.631606	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M-2H+K"	36.948606
"837799"	1065.509606	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-2H+K"	36.948606
"1556181"	1065.509606	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+K-2H"	36.948606
"943212"	1073.559194	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-H+HCOOH"	44.998194
"364108"	2102.120201	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+HCOOH-H"	44.998201
"349083"	2116.135851	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+Hac-H"	59.013851
"1496094"	1087.574851	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Hac-H"	59.013851
"960475"	1095.541151	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-H+NaCOOH"	66.980151
"112542"	1063.530402	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+2Cl"	69.938804
"550396"	1577.810902	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+2Cl"	69.938804
"1022356"	549.249902	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2Cl"	69.938804
"1242421"	1107.479885	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Br"	78.918885
"1311315"	1109.535872	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Cl+HCOOH"	80.974872
"1328811"	1131.517829	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Cl+NaCOOH"	102.956829
"913308"	1141.546586	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M-H+CF3COOH"	112.985586
"1289649"	1177.523264	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Cl+CF3COOH"	148.962264
"1367809"	993.548324	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H-2H2O"	-35.012676
"1382919"	1011.5583	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H-H2O"	-17.0027
"283249"	2058.129276	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+H"	1.007276
"682158"	3086.690276	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+H"	1.007276
"1351818"	1029.568276	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H"	1.007276
"127750"	1029.568276	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+2H"	2.014552
"575338"	1543.848776	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+2H"	2.014552
"1043044"	515.287776	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2H"	2.014552
"208758"	686.714609333333	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+3H"	3.021828
"652694"	1029.568276	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+3H"	3.021828
"1166447"	343.860942666667	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+3H"	3.021828
"430813"	2075.155823	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+NH4"	18.033823
"799465"	3103.716823	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+NH4"	18.033823
"1694703"	1046.594823	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+NH4"	18.033823
"342984"	1038.0815495	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+H+NH4"	19.041099
"737224"	1552.3620495	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+H+NH4"	19.041099
"1483753"	523.8010495	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H+NH4"	19.041099
"406445"	2080.111218	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+Na"	22.989218
"768422"	3108.672218	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+Na"	22.989218
"1617132"	1051.550218	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Na"	22.989218
"328381"	1040.559247	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+H+Na"	23.996494
"717275"	1554.839747	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+H+Na"	23.996494
"1474378"	526.278747	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H+Na"	23.996494
"1064342"	351.188256666667	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2H+Na"	25.00377
"1270395"	1061.594486	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+CH3OH+H"	33.033486
"388968"	2096.085158	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+K"	38.963158
"749962"	3124.646158	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+K"	38.963158
"1550559"	1067.524158	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+K"	38.963158
"313332"	1048.546217	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+H+K"	39.970434
"706848"	1562.826717	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+H+K"	39.970434
"1455438"	534.265717	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H+K"	39.970434
"242947"	2099.155826	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+ACN+H"	42.033826
"1223921"	1070.594826	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+ACN+H"	42.033826
"1202820"	535.801051	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+ACN+2H"	43.041102
"195690"	2102.09316	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+2Na-H"	44.97116
"641821"	3130.65416	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+2Na-H"	44.97116
"1146430"	1073.53216	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2Na-H"	44.97116
"188149"	1051.550218	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+2Na"	45.978436
"627707"	1565.830718	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+2Na"	45.978436
"1131091"	537.269718	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2Na"	45.978436
"1413644"	358.515570666667	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H+2Na"	46.985712
"1444422"	1075.573746	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H+HCOOH"	47.012746
"235296"	1056.58324	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+3H2O+2H"	56.04448
"1523841"	1089.62579	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+IsoProp+H"	61.06479
"423442"	1059.537188	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+Na+K"	61.952376
"783585"	1573.817688	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+Na+K"	61.952376
"1676637"	545.256688	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Na+K"	61.952376
"262792"	2121.137768	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+ACN+Na"	64.015768
"1237321"	1092.576768	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+ACN+Na"	64.015768
"1720372"	1092.600293	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+NH4+HCOOH"	64.039293
"1189007"	365.842884666667	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+3Na"	68.967654
"1654530"	1097.555688	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Na+HCOOH"	68.994688
"162479"	2134.04104	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+2K-H"	76.91904
"611533"	3162.60204	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+2K-H"	76.91904
"1098604"	1105.48004	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2K-H"	76.91904
"156024"	1067.524158	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"2M+2K"	77.926316
"596550"	1581.804658	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"3M+2K"	77.926316
"1083491"	553.243658	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2K"	77.926316
"1115003"	1107.494592	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2K+H"	78.933592
"1350169"	1107.582207	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+DMSO+H"	79.021207
"1016511"	1111.621376	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2ACN+H"	83.060376
"1535729"	1112.615008	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+IsoProp+Na+H"	84.054008
"995616"	556.314326	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+2ACN+2H"	84.067652
"1590118"	1113.529628	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+K+HCOOH"	84.968628
"1417961"	1143.561138	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+H+CF3COOH"	115.000138
"1150439"	576.827601	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+3ACN+2H"	125.094202
"1699992"	1160.587685	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+NH4+CF3COOH"	132.026685
"1643297"	1165.54308	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+Na+CF3COOH"	136.98208
"1584415"	1181.51702	"C07550"	"Mivacurium"	"C58H80N2O14"	"1028.561"	"M+K+CF3COOH"	152.95602
"813691"	572.4553	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M"	0
"981755"	553.43691	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-H2O-H"	-19.01839
"71092"	380.629590666667	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M-3H"	-3.021828
"511745"	571.448024	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M-3H"	-3.021828
"886268"	189.811157333333	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-3H"	-3.021828
"8122"	571.448024	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M-2H"	-2.014552
"447682"	857.675674	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M-2H"	-2.014552
"827673"	285.220374	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-2H"	-2.014552
"89850"	1143.903324	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M-H"	-1.007276
"532692"	1716.358624	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M-H"	-1.007276
"910982"	571.448024	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-H"	-1.007276
"62731"	1160.929871	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M-2H+NH4"	16.019271
"500916"	1733.385171	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M-2H+NH4"	16.019271
"878355"	588.474571	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-2H+NH4"	16.019271
"46421"	1165.885266	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M-2H+Na"	20.974666
"486423"	1738.340566	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M-2H+Na"	20.974666
"863738"	593.429966	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-2H+Na"	20.974666
"1633964"	593.429966	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Na-2H"	20.974666
"107731"	589.436363	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M-H+Cl"	33.962126
"548996"	875.664013	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M-H+Cl"	33.962126
"940810"	303.208713	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-H+Cl"	33.962126
"279729"	1179.880002	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+Cl"	34.969402
"672149"	1752.335302	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+Cl"	34.969402
"1282364"	607.424702	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Cl"	34.969402
"22735"	1181.859206	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M-2H+K"	36.948606
"465576"	1754.314506	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M-2H+K"	36.948606
"837909"	609.403906	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-2H+K"	36.948606
"1555927"	609.403906	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+K-2H"	36.948606
"943081"	617.453494	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-H+HCOOH"	44.998194
"365675"	1189.908801	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+HCOOH-H"	44.998201
"346641"	1203.924451	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+Hac-H"	59.013851
"1495475"	631.469151	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Hac-H"	59.013851
"959735"	639.435451	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-H+NaCOOH"	66.980151
"113016"	607.424702	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+2Cl"	69.938804
"550750"	893.652352	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+2Cl"	69.938804
"1022102"	321.197052	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2Cl"	69.938804
"1242167"	651.374185	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Br"	78.918885
"1309239"	653.430172	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Cl+HCOOH"	80.974872
"1330015"	675.412129	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Cl+NaCOOH"	102.956829
"915606"	685.440886	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M-H+CF3COOH"	112.985586
"1290125"	721.417564	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Cl+CF3COOH"	148.962264
"1368650"	537.442624	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H-2H2O"	-35.012676
"1383233"	555.4526	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H-H2O"	-17.0027
"284380"	1145.917876	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+H"	1.007276
"683361"	1718.373176	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+H"	1.007276
"1351687"	573.462576	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H"	1.007276
"128223"	573.462576	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+2H"	2.014552
"576543"	859.690226	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+2H"	2.014552
"1043154"	287.234926	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2H"	2.014552
"207775"	382.644142666667	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+3H"	3.021828
"652440"	573.462576	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+3H"	3.021828
"1166921"	191.825709333333	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+3H"	3.021828
"429830"	1162.944423	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+NH4"	18.033823
"799211"	1735.399723	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+NH4"	18.033823
"1693718"	590.489123	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+NH4"	18.033823
"339808"	581.9758495	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+H+NH4"	19.041099
"731135"	868.2034995	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+H+NH4"	19.041099
"1479488"	295.7481995	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H+NH4"	19.041099
"406919"	1167.899818	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+Na"	22.989218
"769016"	1740.355118	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+Na"	22.989218
"1615657"	595.444518	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Na"	22.989218
"322777"	584.453547	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+H+Na"	23.996494
"715197"	870.681197	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+H+Na"	23.996494
"1473395"	298.225897	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H+Na"	23.996494
"1063359"	199.153023333333	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2H+Na"	25.00377
"1268319"	605.488786	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+CH3OH+H"	33.033486
"389078"	1183.873758	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+K"	38.963158
"747885"	1756.329058	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+K"	38.963158
"1551033"	611.418458	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+K"	38.963158
"309304"	592.440517	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+H+K"	39.970434
"706753"	878.668167	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+H+K"	39.970434
"1452268"	306.212867	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H+K"	39.970434
"246337"	1186.944426	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+ACN+H"	42.033826
"1224396"	614.489126	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+ACN+H"	42.033826
"1202930"	307.748201	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+ACN+2H"	43.041102
"198715"	1189.88176	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+2Na-H"	44.97116
"641930"	1762.33706	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+2Na-H"	44.97116
"1146539"	617.42646	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2Na-H"	44.97116
"188142"	595.444518	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+2Na"	45.978436
"628306"	881.672168	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+2Na"	45.978436
"1130841"	309.216868	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2Na"	45.978436
"1413874"	206.480337333333	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H+2Na"	46.985712
"1443433"	619.468046	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H+HCOOH"	47.012746
"235325"	600.47754	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+3H2O+2H"	56.04448
"1523753"	633.52009	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+IsoProp+H"	61.06479
"424008"	603.431488	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+Na+K"	61.952376
"785483"	889.659138	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+Na+K"	61.952376
"1681211"	317.203838	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Na+K"	61.952376
"262173"	1208.926368	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+ACN+Na"	64.015768
"1239983"	636.471068	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+ACN+Na"	64.015768
"1724859"	636.494593	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+NH4+HCOOH"	64.039293
"1188754"	213.807651333333	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+3Na"	68.967654
"1657921"	641.449988	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Na+HCOOH"	68.994688
"160771"	1221.82964	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+2K-H"	76.91904
"610553"	1794.28494	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+2K-H"	76.91904
"1096528"	649.37434	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2K-H"	76.91904
"154434"	611.418458	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"2M+2K"	77.926316
"595084"	897.646108	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"3M+2K"	77.926316
"1082629"	325.190808	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2K"	77.926316
"1114505"	651.388892	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2K+H"	78.933592
"1350037"	651.476507	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+DMSO+H"	79.021207
"1018807"	655.515676	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2ACN+H"	83.060376
"1534746"	656.509308	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+IsoProp+Na+H"	84.054008
"995726"	328.261476	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+2ACN+2H"	84.067652
"1591321"	657.423928	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+K+HCOOH"	84.968628
"1416978"	687.455438	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+H+CF3COOH"	115.000138
"1150547"	348.774751	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+3ACN+2H"	125.094202
"1700102"	704.481985	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+NH4+CF3COOH"	132.026685
"1643407"	709.43738	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+Na+CF3COOH"	136.98208
"1584525"	725.41132	"C07551"	"Pancuronium"	"C35H60N2O4"	"572.4553"	"M+K+CF3COOH"	152.95602
"814894"	361.8757	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M"	0
"985146"	342.85731	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-H2O-H"	-19.01839
"71202"	240.243190666667	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M-3H"	-3.021828
"514043"	360.868424	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M-3H"	-3.021828
"890752"	119.617957333333	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-3H"	-3.021828
"9325"	360.868424	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M-2H"	-2.014552
"447792"	541.806274	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M-2H"	-2.014552
"826689"	179.930574	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-2H"	-2.014552
"87773"	722.744124	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M-H"	-1.007276
"527333"	1084.619824	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M-H"	-1.007276
"908781"	360.868424	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-H"	-1.007276
"61581"	739.770671	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M-2H+NH4"	16.019271
"501997"	1101.646371	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M-2H+NH4"	16.019271
"877974"	377.894971	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-2H+NH4"	16.019271
"44781"	744.726066	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M-2H+Na"	20.974666
"486165"	1106.601766	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M-2H+Na"	20.974666
"862874"	382.850366	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-2H+Na"	20.974666
"1633863"	382.850366	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Na-2H"	20.974666
"107111"	378.856763	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M-H+Cl"	33.962126
"549513"	559.794613	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M-H+Cl"	33.962126
"940918"	197.918913	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-H+Cl"	33.962126
"280932"	758.720802	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+Cl"	34.969402
"672259"	1120.596502	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+Cl"	34.969402
"1282474"	396.845102	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Cl"	34.969402
"22845"	760.700006	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M-2H+K"	36.948606
"463499"	1122.575706	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M-2H+K"	36.948606
"838019"	398.824306	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-2H+K"	36.948606
"1557495"	398.824306	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+K-2H"	36.948606
"945014"	406.873894	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-H+HCOOH"	44.998194
"365421"	768.749601	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+HCOOH-H"	44.998201
"349302"	782.765251	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+Hac-H"	59.013851
"1497043"	420.889551	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Hac-H"	59.013851
"959845"	428.855851	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-H+NaCOOH"	66.980151
"112762"	396.845102	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+2Cl"	69.938804
"550983"	577.782952	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+2Cl"	69.938804
"1022213"	215.907252	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2Cl"	69.938804
"1242155"	440.794585	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Br"	78.918885
"1308253"	442.850572	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Cl+HCOOH"	80.974872
"1327937"	464.832529	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Cl+NaCOOH"	102.956829
"914622"	474.861286	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M-H+CF3COOH"	112.985586
"1290235"	510.837964	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Cl+CF3COOH"	148.962264
"1368398"	326.863024	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H-2H2O"	-35.012676
"1383136"	344.873	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H-H2O"	-17.0027
"285583"	724.758676	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+H"	1.007276
"682378"	1086.634376	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+H"	1.007276
"1352164"	362.882976	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H"	1.007276
"128336"	362.882976	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+2H"	2.014552
"576653"	543.820826	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+2H"	2.014552
"1041078"	181.945126	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2H"	2.014552
"205699"	242.257742666667	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+3H"	3.021828
"652550"	362.882976	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+3H"	3.021828
"1166667"	121.632509333333	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+3H"	3.021828
"427754"	741.785223	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+NH4"	18.033823
"799321"	1103.660923	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+NH4"	18.033823
"1692735"	379.909523	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+NH4"	18.033823
"341011"	371.3962495	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+H+NH4"	19.041099
"730152"	552.3340995	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+H+NH4"	19.041099
"1479598"	190.4583995	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H+NH4"	19.041099
"407029"	746.740618	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+Na"	22.989218
"769900"	1108.616318	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+Na"	22.989218
"1615038"	384.864918	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Na"	22.989218
"322887"	373.873947	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+H+Na"	23.996494
"716400"	554.811797	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+H+Na"	23.996494
"1473505"	192.936097	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H+Na"	23.996494
"1063471"	128.959823333333	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2H+Na"	25.00377
"1264053"	394.909186	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+CH3OH+H"	33.033486
"387002"	762.714558	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+K"	38.963158
"745808"	1124.590258	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+K"	38.963158
"1551143"	400.838858	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+K"	38.963158
"309050"	381.860917	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+H+K"	39.970434
"703294"	562.798767	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+H+K"	39.970434
"1451284"	200.923067	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H+K"	39.970434
"244261"	765.785226	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+ACN+H"	42.033826
"1223170"	403.909526	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+ACN+H"	42.033826
"1203040"	202.458401	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+ACN+2H"	43.041102
"199191"	768.72256	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+2Na-H"	44.97116
"642040"	1130.59826	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+2Na-H"	44.97116
"1146489"	406.84686	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2Na-H"	44.97116
"188132"	384.864918	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+2Na"	45.978436
"628057"	565.802768	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+2Na"	45.978436
"1131036"	203.927068	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2Na"	45.978436
"1413376"	136.287137333333	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H+2Na"	46.985712
"1444637"	408.888446	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H+HCOOH"	47.012746
"234951"	389.89794	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+3H2O+2H"	56.04448
"1523862"	422.94049	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+IsoProp+H"	61.06479
"424192"	392.851888	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+Na+K"	61.952376
"785151"	573.789738	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+Na+K"	61.952376
"1680875"	211.914038	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Na+K"	61.952376
"266950"	787.767168	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+ACN+Na"	64.015768
"1240586"	425.891468	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+ACN+Na"	64.015768
"1726066"	425.914993	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+NH4+HCOOH"	64.039293
"1191054"	143.614451333333	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+3Na"	68.967654
"1662407"	430.870388	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Na+HCOOH"	68.994688
"162705"	800.67044	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+2K-H"	76.91904
"610667"	1162.54614	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+2K-H"	76.91904
"1095909"	438.79474	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2K-H"	76.91904
"154182"	400.838858	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"2M+2K"	77.926316
"596408"	581.776708	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"3M+2K"	77.926316
"1082990"	219.901008	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2K"	77.926316
"1113770"	440.809292	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2K+H"	78.933592
"1349304"	440.896907	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+DMSO+H"	79.021207
"1020744"	444.936076	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2ACN+H"	83.060376
"1537045"	445.929708	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+IsoProp+Na+H"	84.054008
"999116"	222.971676	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+2ACN+2H"	84.067652
"1591432"	446.844328	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+K+HCOOH"	84.968628
"1417091"	476.875838	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+H+CF3COOH"	115.000138
"1153936"	243.484951	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+3ACN+2H"	125.094202
"1698752"	493.902385	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+NH4+CF3COOH"	132.026685
"1643517"	498.85778	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+Na+CF3COOH"	136.98208
"1584635"	514.83172	"C07552"	"Aldrin"	"C12H8Cl6"	"361.8757"	"M+K+CF3COOH"	152.95602
"811724"	557.4318	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M"	0
"981975"	538.41341	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-H2O-H"	-19.01839
"70218"	370.613924	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M-3H"	-3.021828
"508685"	556.424524	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M-3H"	-3.021828
"886487"	184.803324	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-3H"	-3.021828
"9435"	556.424524	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M-2H"	-2.014552
"445714"	835.140424	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M-2H"	-2.014552
"825706"	277.708624	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-2H"	-2.014552
"87883"	1113.856324	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M-H"	-1.007276
"524162"	1671.288124	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M-H"	-1.007276
"904151"	556.424524	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-H"	-1.007276
"60718"	1130.882871	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M-2H+NH4"	16.019271
"500281"	1688.314671	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M-2H+NH4"	16.019271
"872615"	573.451071	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-2H+NH4"	16.019271
"41609"	1135.838266	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M-2H+Na"	20.974666
"486151"	1693.270066	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M-2H+Na"	20.974666
"857875"	578.406466	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-2H+Na"	20.974666
"1628505"	578.406466	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Na-2H"	20.974666
"101754"	574.412863	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M-H+Cl"	33.962126
"548606"	853.128763	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M-H+Cl"	33.962126
"941029"	295.696963	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-H+Cl"	33.962126
"281407"	1149.833002	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+Cl"	34.969402
"669088"	1707.264802	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+Cl"	34.969402
"1283678"	592.401202	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Cl"	34.969402
"22955"	1151.812206	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M-2H+K"	36.948606
"466890"	1709.244006	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M-2H+K"	36.948606
"841409"	594.380406	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-2H+K"	36.948606
"1563802"	594.380406	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+K-2H"	36.948606
"952778"	602.429994	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-H+HCOOH"	44.998194
"362289"	1159.861801	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+HCOOH-H"	44.998201
"346129"	1173.877451	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+Hac-H"	59.013851
"1496788"	616.445651	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Hac-H"	59.013851
"961047"	624.411951	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-H+NaCOOH"	66.980151
"112871"	592.401202	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+2Cl"	69.938804
"552064"	871.117102	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+2Cl"	69.938804
"1023053"	313.685302	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2Cl"	69.938804
"1243725"	636.350685	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Br"	78.918885
"1308363"	638.406672	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Cl+HCOOH"	80.974872
"1326954"	660.388629	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Cl+NaCOOH"	102.956829
"919105"	670.417386	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M-H+CF3COOH"	112.985586
"1290346"	706.394064	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Cl+CF3COOH"	148.962264
"1369602"	522.419124	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H-2H2O"	-35.012676
"1383452"	540.4291	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H-H2O"	-17.0027
"286786"	1115.870876	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+H"	1.007276
"685768"	1673.302676	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+H"	1.007276
"1352396"	558.439076	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H"	1.007276
"131726"	558.439076	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+2H"	2.014552
"576397"	837.154976	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+2H"	2.014552
"1044468"	279.723176	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2H"	2.014552
"210182"	372.628476	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+3H"	3.021828
"652660"	558.439076	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+3H"	3.021828
"1166777"	186.817876	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+3H"	3.021828
"428957"	1132.897423	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+NH4"	18.033823
"794327"	1690.329223	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+NH4"	18.033823
"1689563"	575.465623	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+NH4"	18.033823
"334560"	566.9523495	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+H+NH4"	19.041099
"725886"	845.6682495	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+H+NH4"	19.041099
"1479708"	288.2364495	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H+NH4"	19.041099
"405683"	1137.852818	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+Na"	22.989218
"765588"	1695.284618	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+Na"	22.989218
"1614784"	580.421018	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Na"	22.989218
"319718"	569.430047	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+H+Na"	23.996494
"715417"	848.145947	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+H+Na"	23.996494
"1472523"	290.714147	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H+Na"	23.996494
"1062124"	194.14519	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2H+Na"	25.00377
"1263069"	590.465286	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+CH3OH+H"	33.033486
"386748"	1153.826758	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+K"	38.963158
"745918"	1711.258558	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+K"	38.963158
"1550889"	596.394958	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+K"	38.963158
"308432"	577.417017	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+H+K"	39.970434
"705592"	856.132917	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+H+K"	39.970434
"1453580"	298.701117	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H+K"	39.970434
"245464"	1156.897426	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+ACN+H"	42.033826
"1223644"	599.465626	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+ACN+H"	42.033826
"1204243"	300.236451	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+ACN+2H"	43.041102
"198935"	1159.83476	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+2Na-H"	44.97116
"642516"	1717.26656	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+2Na-H"	44.97116
"1146032"	602.40296	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2Na-H"	44.97116
"188451"	580.421018	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+2Na"	45.978436
"628496"	859.136918	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+2Na"	45.978436
"1131267"	301.705118	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2Na"	45.978436
"1414058"	201.472504	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H+2Na"	46.985712
"1445472"	604.444546	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H+HCOOH"	47.012746
"234693"	585.45404	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+3H2O+2H"	56.04448
"1523731"	618.49659	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+IsoProp+H"	61.06479
"423979"	588.407988	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+Na+K"	61.952376
"785429"	867.123888	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+Na+K"	61.952376
"1681264"	309.692088	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Na+K"	61.952376
"266974"	1178.879368	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+ACN+Na"	64.015768
"1240451"	621.447568	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+ACN+Na"	64.015768
"1727756"	621.471093	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+NH4+HCOOH"	64.039293
"1191528"	208.799818	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+3Na"	68.967654
"1664703"	626.426488	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Na+HCOOH"	68.994688
"162815"	1191.78264	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+2K-H"	76.91904
"612110"	1749.21444	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+2K-H"	76.91904
"1098203"	634.35084	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2K-H"	76.91904
"156110"	596.394958	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"2M+2K"	77.926316
"596924"	875.110858	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"3M+2K"	77.926316
"1083460"	317.679058	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2K"	77.926316
"1114486"	636.365392	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2K+H"	78.933592
"1349777"	636.453007	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+DMSO+H"	79.021207
"1019759"	640.492176	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2ACN+H"	83.060376
"1538249"	641.485808	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+IsoProp+Na+H"	84.054008
"999226"	320.749726	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+2ACN+2H"	84.067652
"1593729"	642.400428	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+K+HCOOH"	84.968628
"1418295"	672.431938	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+H+CF3COOH"	115.000138
"1154046"	341.263001	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+3ACN+2H"	125.094202
"1700321"	689.458485	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+NH4+CF3COOH"	132.026685
"1643627"	694.41388	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+Na+CF3COOH"	136.98208
"1584745"	710.38782	"C07553"	"Vecuronium"	"C34H57N2O4"	"557.4318"	"M+K+CF3COOH"	152.95602
"811833"	602.4771	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M"	0
"978805"	583.45871	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-H2O-H"	-19.01839
"70328"	400.644124	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M-3H"	-3.021828
"508795"	601.469824	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M-3H"	-3.021828
"885504"	199.818424	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-3H"	-3.021828
"8452"	601.469824	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M-2H"	-2.014552
"446917"	902.708374	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M-2H"	-2.014552
"825816"	300.231274	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-2H"	-2.014552
"84713"	1203.946924	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M-H"	-1.007276
"526458"	1806.424024	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M-H"	-1.007276
"900980"	601.469824	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-H"	-1.007276
"55361"	1220.973471	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M-2H+NH4"	16.019271
"497111"	1823.450571	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M-2H+NH4"	16.019271
"870538"	618.496371	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-2H+NH4"	16.019271
"41718"	1225.928866	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M-2H+Na"	20.974666
"479092"	1828.405966	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M-2H+Na"	20.974666
"854705"	623.451766	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-2H+Na"	20.974666
"1624242"	623.451766	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Na-2H"	20.974666
"99677"	619.458163	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M-H+Cl"	33.962126
"546893"	920.696713	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M-H+Cl"	33.962126
"940775"	318.219613	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-H+Cl"	33.962126
"280059"	1239.923602	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+Cl"	34.969402
"664825"	1842.400702	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+Cl"	34.969402
"1279414"	637.446502	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Cl"	34.969402
"19785"	1241.902806	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M-2H+K"	36.948606
"467000"	1844.379906	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M-2H+K"	36.948606
"840426"	639.425706	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-2H+K"	36.948606
"1561725"	639.425706	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+K-2H"	36.948606
"947421"	647.475294	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-H+HCOOH"	44.998194
"361463"	1249.952401	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+HCOOH-H"	44.998201
"346606"	1263.968051	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+Hac-H"	59.013851
"1495441"	661.490951	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Hac-H"	59.013851
"961523"	669.457251	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-H+NaCOOH"	66.980151
"111525"	637.446502	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+2Cl"	69.938804
"553270"	938.685052	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+2Cl"	69.938804
"1026443"	336.207952	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2Cl"	69.938804
"1247115"	681.395985	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Br"	78.918885
"1307380"	683.451972	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Cl+HCOOH"	80.974872
"1324876"	705.433929	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Cl+NaCOOH"	102.956829
"918122"	715.462686	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M-H+CF3COOH"	112.985586
"1290457"	751.439364	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Cl+CF3COOH"	148.962264
"1368619"	567.464424	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H-2H2O"	-35.012676
"1385386"	585.4744	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H-H2O"	-17.0027
"286897"	1205.961476	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+H"	1.007276
"685878"	1808.438576	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+H"	1.007276
"1351344"	603.484376	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H"	1.007276
"129650"	603.484376	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+2H"	2.014552
"573591"	904.722926	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+2H"	2.014552
"1043485"	302.245826	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2H"	2.014552
"210292"	402.658676	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+3H"	3.021828
"649853"	603.484376	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+3H"	3.021828
"1166886"	201.832976	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+3H"	3.021828
"429067"	1222.988023	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+NH4"	18.033823
"794437"	1825.465123	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+NH4"	18.033823
"1689673"	620.510923	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+NH4"	18.033823
"335031"	611.9976495	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+H+NH4"	19.041099
"727089"	913.2361995	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+H+NH4"	19.041099
"1479083"	310.7590995	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H+NH4"	19.041099
"406157"	1227.943418	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+Na"	22.989218
"766427"	1830.420518	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+Na"	22.989218
"1615257"	625.466318	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Na"	22.989218
"319828"	614.475347	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+H+Na"	23.996494
"716620"	915.713897	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+H+Na"	23.996494
"1471538"	313.236797	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H+Na"	23.996494
"1062598"	209.16029	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2H+Na"	25.00377
"1264272"	635.510586	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+CH3OH+H"	33.033486
"389773"	1243.917358	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+K"	38.963158
"746027"	1846.394458	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+K"	38.963158
"1550999"	641.440258	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+K"	38.963158
"311458"	622.462317	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+H+K"	39.970434
"704973"	923.700867	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+H+K"	39.970434
"1451504"	321.223767	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H+K"	39.970434
"242293"	1246.988026	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+ACN+H"	42.033826
"1217194"	644.510926	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+ACN+H"	42.033826
"1202165"	322.759101	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+ACN+2H"	43.041102
"193942"	1249.92536	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+2Na-H"	44.97116
"637889"	1852.40246	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+2Na-H"	44.97116
"1141394"	647.44826	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2Na-H"	44.97116
"188314"	625.466318	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+2Na"	45.978436
"626927"	926.704868	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+2Na"	45.978436
"1131130"	324.227768	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2Na"	45.978436
"1413963"	216.487604	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H+2Na"	46.985712
"1445223"	649.489846	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H+HCOOH"	47.012746
"235047"	630.49934	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+3H2O+2H"	56.04448
"1523476"	663.54189	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+IsoProp+H"	61.06479
"423638"	633.453288	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+Na+K"	61.952376
"785371"	934.691838	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+Na+K"	61.952376
"1680366"	332.214738	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Na+K"	61.952376
"266518"	1268.969968	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+ACN+Na"	64.015768
"1239589"	666.492868	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+ACN+Na"	64.015768
"1726286"	666.516393	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+NH4+HCOOH"	64.039293
"1188359"	223.814918	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+3Na"	68.967654
"1663720"	671.471788	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Na+HCOOH"	68.994688
"162925"	1281.87324	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+2K-H"	76.91904
"612506"	1884.35034	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+2K-H"	76.91904
"1098674"	679.39614	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2K-H"	76.91904
"156340"	641.440258	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"2M+2K"	77.926316
"596384"	942.678808	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"3M+2K"	77.926316
"1083084"	340.201708	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2K"	77.926316
"1113138"	681.410692	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2K+H"	78.933592
"1348794"	681.498307	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+DMSO+H"	79.021207
"1016954"	685.537476	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2ACN+H"	83.060376
"1538359"	686.531108	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+IsoProp+Na+H"	84.054008
"999336"	343.272376	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+2ACN+2H"	84.067652
"1593839"	687.445728	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+K+HCOOH"	84.968628
"1418405"	717.477238	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+H+CF3COOH"	115.000138
"1150876"	363.785651	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+3ACN+2H"	125.094202
"1698243"	734.503785	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+NH4+CF3COOH"	132.026685
"1643737"	739.45918	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+Na+CF3COOH"	136.98208
"1584855"	755.43312	"C07554"	"Pipecuronium"	"C35H62N4O4"	"602.4771"	"M+K+CF3COOH"	152.95602
"811943"	153.0426	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M"	0
"980008"	134.02421	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"68251"	101.021124	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"509998"	152.035324	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"885614"	50.006924	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"9655"	152.035324	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"447027"	228.556624	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"825926"	75.514024	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"85916"	305.077924	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"527661"	458.120524	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"903276"	152.035324	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"57653"	322.104471	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"496128"	475.147071	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"870648"	169.061871	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"41828"	327.059866	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"479202"	480.102466	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"855908"	174.017266	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1624352"	174.017266	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"99787"	170.023663	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"543723"	246.544963	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"940519"	93.502363	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"276889"	341.054602	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"666028"	494.097202	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1281711"	188.012002	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"18801"	343.033806	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"467110"	496.076406	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"840536"	189.991206	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1561835"	189.991206	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"949718"	198.040794	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"362469"	351.083401	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"347444"	365.099051	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1496280"	212.056451	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"962361"	220.022751	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"113821"	188.012002	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"553014"	264.533302	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1027646"	111.490702	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1250506"	231.961485	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1308583"	234.017472	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1326079"	255.999429	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"918232"	266.028186	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1289837"	302.004864	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1370917"	118.029924	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1384769"	136.0399	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"288100"	307.092476	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"688907"	460.135076	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1353223"	154.049876	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"131944"	154.049876	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"569326"	230.571176	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1043594"	77.528576	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"206391"	103.035676	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"647408"	154.049876	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1166630"	52.021476	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"428081"	324.119023	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"792358"	477.161623	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1685407"	171.076423	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"334046"	162.5631495	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"725374"	239.0844495	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1477365"	86.0418495	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"399704"	329.074418	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"765806"	482.117018	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1612087"	176.031818	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"322122"	165.040847	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"718916"	241.562147	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1469460"	88.519547	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1065623"	59.34879	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1264382"	186.076086	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"387331"	345.048358	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"749418"	498.090958	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1551473"	192.005758	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"310474"	173.027817	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"705083"	249.549117	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1450521"	96.506517	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"241310"	348.119026	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1217299"	195.076426	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1201182"	98.041851	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"195145"	351.05636	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"635800"	504.09896	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1142962"	198.01376	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"182602"	176.031818	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"626795"	252.553118	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1131159"	99.510518	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1413915"	66.676104	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1445212"	200.055346	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"234550"	181.06484	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1523783"	214.10739	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"423957"	184.018788	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"785366"	260.540088	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1680473"	107.497488	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"266021"	370.100968	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1240672"	217.058368	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1727250"	217.081893	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1191752"	74.003418	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1662745"	222.037288	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"170940"	383.00424	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"611354"	536.04684	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1098667"	229.96164	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"154148"	192.005758	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"594794"	268.527058	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1081859"	115.484458	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1112154"	231.976192	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1349877"	232.063807	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1018157"	236.102976	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1537864"	237.096608	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"999446"	118.555126	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1593949"	238.011228	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1418515"	268.042738	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1150986"	139.068401	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1699447"	285.069285	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1643847"	290.02468	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1584965"	305.99862	"C07555"	"4-Nitroanisole;p-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"812054"	529.4005	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M"	0
"982305"	510.38211	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-H2O-H"	-19.01839
"71640"	351.926390666667	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M-3H"	-3.021828
"510108"	528.393224	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M-3H"	-3.021828
"884631"	175.459557333333	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-3H"	-3.021828
"5391"	528.393224	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M-2H"	-2.014552
"446044"	793.093474	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M-2H"	-2.014552
"827129"	263.692974	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-2H"	-2.014552
"81287"	1057.793724	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M-H"	-1.007276
"524492"	1587.194224	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M-H"	-1.007276
"900106"	528.393224	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-H"	-1.007276
"51566"	1074.820271	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M-2H+NH4"	16.019271
"496237"	1604.220771	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M-2H+NH4"	16.019271
"870759"	545.419771	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-2H+NH4"	16.019271
"43031"	1079.775666	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M-2H+Na"	20.974666
"480406"	1609.176166	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M-2H+Na"	20.974666
"858205"	550.375166	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-2H+Na"	20.974666
"1625548"	550.375166	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Na-2H"	20.974666
"98796"	546.381563	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M-H+Cl"	33.962126
"536898"	811.081813	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M-H+Cl"	33.962126
"937347"	281.681313	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-H+Cl"	33.962126
"278091"	1093.770402	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+Cl"	34.969402
"668325"	1623.170902	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+Cl"	34.969402
"1284008"	564.369902	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Cl"	34.969402
"23285"	1095.749606	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M-2H+K"	36.948606
"462846"	1625.150106	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M-2H+K"	36.948606
"843926"	566.349106	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-2H+K"	36.948606
"1564133"	566.349106	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+K-2H"	36.948606
"950193"	574.398694	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-H+HCOOH"	44.998194
"362579"	1103.799201	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+HCOOH-H"	44.998201
"349741"	1117.814851	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+Hac-H"	59.013851
"1496754"	588.414351	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Hac-H"	59.013851
"962837"	596.380651	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-H+NaCOOH"	66.980151
"115025"	564.369902	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+2Cl"	69.938804
"552395"	829.070152	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+2Cl"	69.938804
"1024840"	299.669652	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2Cl"	69.938804
"1251709"	608.319385	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Br"	78.918885
"1309785"	610.375372	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Cl+HCOOH"	80.974872
"1326189"	632.357329	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Cl+NaCOOH"	102.956829
"920529"	642.386086	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M-H+CF3COOH"	112.985586
"1292133"	678.362764	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Cl+CF3COOH"	148.962264
"1373214"	494.387824	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H-2H2O"	-35.012676
"1386338"	512.3978	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H-H2O"	-17.0027
"289304"	1059.808276	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+H"	1.007276
"688288"	1589.208776	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+H"	1.007276
"1355885"	530.407776	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H"	1.007276
"132054"	530.407776	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+2H"	2.014552
"569436"	795.108026	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+2H"	2.014552
"1043704"	265.707526	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2H"	2.014552
"206865"	353.940942666667	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+3H"	3.021828
"646426"	530.407776	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+3H"	3.021828
"1166376"	177.474109333333	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+3H"	3.021828
"427098"	1076.834823	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+NH4"	18.033823
"791375"	1606.235323	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+NH4"	18.033823
"1687703"	547.434323	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+NH4"	18.033823
"333063"	538.9210495	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+H+NH4"	19.041099
"724753"	803.6212995	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+H+NH4"	19.041099
"1477963"	274.2207995	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H+NH4"	19.041099
"398721"	1081.790218	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+Na"	22.989218
"767373"	1611.190718	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+Na"	22.989218
"1613285"	552.389718	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Na"	22.989218
"323326"	541.398747	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+H+Na"	23.996494
"716843"	806.098997	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+H+Na"	23.996494
"1469570"	276.698497	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H+Na"	23.996494
"1066096"	184.801423333333	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2H+Na"	25.00377
"1266681"	562.433986	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+CH3OH+H"	33.033486
"386349"	1097.764158	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+K"	38.963158
"745155"	1627.164658	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+K"	38.963158
"1552678"	568.363658	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+K"	38.963158
"309854"	549.385717	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+H+K"	39.970434
"704463"	814.085967	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+H+K"	39.970434
"1450631"	284.685467	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H+K"	39.970434
"241420"	1100.834826	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+ACN+H"	42.033826
"1218502"	571.434326	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+ACN+H"	42.033826
"1201292"	286.220801	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+ACN+2H"	43.041102
"198537"	1103.77216	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+2Na-H"	44.97116
"637003"	1633.17266	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+2Na-H"	44.97116
"1140512"	574.37166	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2Na-H"	44.97116
"182711"	552.389718	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+2Na"	45.978436
"627269"	817.089968	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+2Na"	45.978436
"1130904"	287.689468	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2Na"	45.978436
"1411137"	192.128737333333	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H+2Na"	46.985712
"1441427"	576.413246	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H+HCOOH"	47.012746
"227842"	557.42274	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+3H2O+2H"	56.04448
"1523566"	590.46529	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+IsoProp+H"	61.06479
"417778"	560.376688	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+Na+K"	61.952376
"785195"	825.076938	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+Na+K"	61.952376
"1680344"	295.676438	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Na+K"	61.952376
"266620"	1122.816768	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+ACN+Na"	64.015768
"1240780"	593.416268	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+ACN+Na"	64.015768
"1726509"	593.439793	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+NH4+HCOOH"	64.039293
"1190769"	199.456051333333	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+3Na"	68.967654
"1664312"	598.395188	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Na+HCOOH"	68.994688
"171778"	1135.72004	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+2K-H"	76.91904
"611950"	1665.12054	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+2K-H"	76.91904
"1098777"	606.31954	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2K-H"	76.91904
"155715"	568.363658	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"2M+2K"	77.926316
"593444"	833.063908	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"3M+2K"	77.926316
"1082332"	303.663408	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2K"	77.926316
"1112627"	608.334092	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2K+H"	78.933592
"1350107"	608.421707	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+DMSO+H"	79.021207
"1017174"	612.460876	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2ACN+H"	83.060376
"1537850"	613.454508	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+IsoProp+Na+H"	84.054008
"999556"	306.734076	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+2ACN+2H"	84.067652
"1590779"	614.369128	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+K+HCOOH"	84.968628
"1415100"	644.400638	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+H+CF3COOH"	115.000138
"1148180"	327.247351	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+3ACN+2H"	125.094202
"1702839"	661.427185	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+NH4+CF3COOH"	132.026685
"1643957"	666.38258	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+Na+CF3COOH"	136.98208
"1585075"	682.35652	"C07556"	"Rocuronium"	"C32H53N2O4"	"529.4005"	"M+K+CF3COOH"	152.95602
"813257"	319.8965	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M"	0
"979134"	300.87811	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-H2O-H"	-19.01839
"68470"	212.257057333333	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M-3H"	-3.021828
"508030"	318.889224	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M-3H"	-3.021828
"886927"	105.624890666667	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-3H"	-3.021828
"5501"	318.889224	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M-2H"	-2.014552
"446154"	478.837474	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M-2H"	-2.014552
"829426"	158.940974	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-2H"	-2.014552
"82126"	638.785724	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M-H"	-1.007276
"524602"	958.682224	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M-H"	-1.007276
"900216"	318.889224	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-H"	-1.007276
"51676"	655.812271	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M-2H+NH4"	16.019271
"497435"	975.708771	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M-2H+NH4"	16.019271
"873055"	335.915771	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-2H+NH4"	16.019271
"42046"	660.767666	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M-2H+Na"	20.974666
"479421"	980.664166	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M-2H+Na"	20.974666
"859407"	340.871166	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-2H+Na"	20.974666
"1622378"	340.871166	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Na-2H"	20.974666
"97812"	336.877563	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M-H+Cl"	33.962126
"536276"	496.825813	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M-H+Cl"	33.962126
"933081"	176.929313	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-H+Cl"	33.962126
"276014"	674.762402	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+Cl"	34.969402
"666247"	994.658902	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+Cl"	34.969402
"1283024"	354.865902	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Cl"	34.969402
"23395"	676.741606	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M-2H+K"	36.948606
"465143"	996.638106	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M-2H+K"	36.948606
"841849"	356.845106	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-2H+K"	36.948606
"1564243"	356.845106	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+K-2H"	36.948606
"949939"	364.894694	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-H+HCOOH"	44.998194
"362445"	684.791201	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+HCOOH-H"	44.998201
"347664"	698.806851	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+Hac-H"	59.013851
"1496133"	378.910351	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Hac-H"	59.013851
"962582"	386.876651	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-H+NaCOOH"	66.980151
"113311"	354.865902	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+2Cl"	69.938804
"552871"	514.814152	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+2Cl"	69.938804
"1027867"	194.917652	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2Cl"	69.938804
"1251819"	398.815385	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Br"	78.918885
"1306615"	400.871372	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Cl+HCOOH"	80.974872
"1324112"	422.853329	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Cl+NaCOOH"	102.956829
"916265"	432.882086	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M-H+CF3COOH"	112.985586
"1289569"	468.858764	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Cl+CF3COOH"	148.962264
"1370044"	284.883824	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H-2H2O"	-35.012676
"1389728"	302.8938	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H-H2O"	-17.0027
"291601"	640.800276	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+H"	1.007276
"689127"	960.696776	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+H"	1.007276
"1355995"	320.903776	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H"	1.007276
"134351"	320.903776	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+2H"	2.014552
"569546"	480.852026	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+2H"	2.014552
"1043814"	160.955526	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2H"	2.014552
"206975"	214.271609333333	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+3H"	3.021828
"646900"	320.903776	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+3H"	3.021828
"1169402"	107.639442666667	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+3H"	3.021828
"428301"	657.826823	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+NH4"	18.033823
"793671"	977.723323	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+NH4"	18.033823
"1687813"	337.930323	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+NH4"	18.033823
"333537"	329.4170495	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+H+NH4"	19.041099
"725230"	489.3652995	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+H+NH4"	19.041099
"1477113"	169.4687995	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H+NH4"	19.041099
"401017"	662.782218	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+Na"	22.989218
"760922"	982.678718	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+Na"	22.989218
"1611206"	342.885718	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Na"	22.989218
"322342"	331.894747	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+H+Na"	23.996494
"719139"	491.842997	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+H+Na"	23.996494
"1471866"	171.946497	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H+Na"	23.996494
"1064020"	114.966756666667	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2H+Na"	25.00377
"1266790"	352.929986	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+CH3OH+H"	33.033486
"390830"	678.756158	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+K"	38.963158
"750733"	998.652658	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+K"	38.963158
"1554612"	358.859658	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+K"	38.963158
"313245"	339.881717	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+H+K"	39.970434
"704210"	499.829967	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+H+K"	39.970434
"1448553"	179.933467	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H+K"	39.970434
"240437"	681.826826	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+ACN+H"	42.033826
"1217519"	361.930326	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+ACN+H"	42.033826
"1200309"	181.468801	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+ACN+2H"	43.041102
"200836"	684.76416	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+2Na-H"	44.97116
"638209"	1004.66066	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+2Na-H"	44.97116
"1142811"	364.86766	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2Na-H"	44.97116
"186104"	342.885718	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+2Na"	45.978436
"627499"	502.833968	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+2Na"	45.978436
"1130893"	182.937468	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2Na"	45.978436
"1412339"	122.294070666667	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H+2Na"	46.985712
"1441537"	366.909246	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H+HCOOH"	47.012746
"227952"	347.91874	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+3H2O+2H"	56.04448
"1523310"	380.96129	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+IsoProp+H"	61.06479
"420075"	350.872688	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+Na+K"	61.952376
"784726"	510.820938	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+Na+K"	61.952376
"1681059"	190.924438	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Na+K"	61.952376
"264656"	703.808768	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+ACN+Na"	64.015768
"1239550"	383.912268	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+ACN+Na"	64.015768
"1726615"	383.935793	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+NH4+HCOOH"	64.039293
"1191603"	129.621384666667	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+3Na"	68.967654
"1664058"	388.891188	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Na+HCOOH"	68.994688
"171645"	716.71204	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+2K-H"	76.91904
"611210"	1036.60854	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+2K-H"	76.91904
"1098280"	396.81554	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2K-H"	76.91904
"154974"	358.859658	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"2M+2K"	77.926316
"592461"	518.807908	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"3M+2K"	77.926316
"1081714"	198.911408	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2K"	77.926316
"1113466"	398.830092	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2K+H"	78.933592
"1349124"	398.917707	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+DMSO+H"	79.021207
"1018378"	402.956876	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2ACN+H"	83.060376
"1537476"	403.950508	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+IsoProp+Na+H"	84.054008
"1002582"	201.982076	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+2ACN+2H"	84.067652
"1597449"	404.865128	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+K+HCOOH"	84.968628
"1417641"	434.896638	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+H+CF3COOH"	115.000138
"1149022"	222.495351	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+3ACN+2H"	125.094202
"1702949"	451.923185	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+NH4+CF3COOH"	132.026685
"1644067"	456.87858	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+Na+CF3COOH"	136.98208
"1585185"	472.85252	"C07557"	"2378-Tetrachlorodibenzodioxin;Tetrachlorodibenzodioxin;2378-Tetrachlorodibenzo-p-dioxin;TCDD;PCDD 48"	"C12H4Cl4O2"	"319.8965"	"M+K+CF3COOH"	152.95602
"814460"	288.0966	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M"	0
"979244"	269.07821	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-H2O-H"	-19.01839
"64206"	191.057124	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M-3H"	-3.021828
"503767"	287.089324	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M-3H"	-3.021828
"888131"	95.024924	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-3H"	-3.021828
"6705"	287.089324	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M-2H"	-2.014552
"446264"	431.137624	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M-2H"	-2.014552
"827349"	143.041024	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-2H"	-2.014552
"82966"	575.185924	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M-H"	-1.007276
"526899"	863.282524	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M-H"	-1.007276
"901421"	287.089324	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-H"	-1.007276
"51422"	592.212471	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M-2H+NH4"	16.019271
"495359"	880.309071	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M-2H+NH4"	16.019271
"873166"	304.115871	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-2H+NH4"	16.019271
"39970"	597.167866	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M-2H+Na"	20.974666
"480625"	885.264466	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M-2H+Na"	20.974666
"859517"	309.071266	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-2H+Na"	20.974666
"1623581"	309.071266	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Na-2H"	20.974666
"97923"	305.077663	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M-H+Cl"	33.962126
"537482"	449.125963	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M-H+Cl"	33.962126
"928812"	161.029363	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-H+Cl"	33.962126
"272841"	611.162602	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+Cl"	34.969402
"666357"	899.259202	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+Cl"	34.969402
"1272965"	323.066002	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Cl"	34.969402
"20224"	613.141806	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M-2H+K"	36.948606
"468533"	901.238406	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M-2H+K"	36.948606
"844147"	325.045206	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-2H+K"	36.948606
"1564356"	325.045206	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+K-2H"	36.948606
"952237"	333.094794	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-H+HCOOH"	44.998194
"363893"	621.191401	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+HCOOH-H"	44.998201
"345952"	635.207051	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+Hac-H"	59.013851
"1497704"	347.110451	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Hac-H"	59.013851
"964152"	355.076751	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-H+NaCOOH"	66.980151
"118526"	323.066002	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+2Cl"	69.938804
"558085"	467.114302	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+2Cl"	69.938804
"1026885"	179.017702	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2Cl"	69.938804
"1250837"	367.015485	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Br"	78.918885
"1305631"	369.071472	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Cl+HCOOH"	80.974872
"1325315"	391.053429	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Cl+NaCOOH"	102.956829
"917467"	401.082186	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M-H+CF3COOH"	112.985586
"1295271"	437.058864	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Cl+CF3COOH"	148.962264
"1367963"	253.083924	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H-2H2O"	-35.012676
"1389837"	271.0939	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H-H2O"	-17.0027
"294991"	577.200476	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+H"	1.007276
"689237"	865.297076	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+H"	1.007276
"1358293"	289.103876	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H"	1.007276
"133368"	289.103876	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+2H"	2.014552
"571113"	433.152176	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+2H"	2.014552
"1043924"	145.055576	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2H"	2.014552
"205140"	193.071676	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+3H"	3.021828
"646282"	289.103876	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+3H"	3.021828
"1166233"	97.039476	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+3H"	3.021828
"427318"	594.227023	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+NH4"	18.033823
"792688"	882.323623	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+NH4"	18.033823
"1683551"	306.130423	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+NH4"	18.033823
"330731"	297.6171495	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+H+NH4"	19.041099
"724247"	441.6654495	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+H+NH4"	19.041099
"1478429"	153.5688495	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H+NH4"	19.041099
"400033"	599.182418	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+Na"	22.989218
"759938"	887.279018	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+Na"	22.989218
"1610223"	311.085818	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Na"	22.989218
"318071"	300.094847	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+H+Na"	23.996494
"711586"	444.143147	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+H+Na"	23.996494
"1467599"	156.046547	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H+Na"	23.996494
"1065221"	104.36679	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2H+Na"	25.00377
"1266898"	321.130086	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+CH3OH+H"	33.033486
"385472"	615.156358	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+K"	38.963158
"749750"	903.252958	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+K"	38.963158
"1553990"	327.059758	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+K"	38.963158
"311898"	308.081817	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+H+K"	39.970434
"703591"	452.130117	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+H+K"	39.970434
"1446476"	164.033517	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H+K"	39.970434
"235832"	618.227026	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+ACN+H"	42.033826
"1216536"	330.130426	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+ACN+H"	42.033826
"1199326"	165.568851	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+ACN+2H"	43.041102
"195477"	621.16436	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+2Na-H"	44.97116
"636130"	909.26096	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+2Na-H"	44.97116
"1140735"	333.06776	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2Na-H"	44.97116
"185849"	311.085818	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+2Na"	45.978436
"627923"	455.134118	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+2Na"	45.978436
"1130017"	167.037518	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2Na"	45.978436
"1407344"	111.694104	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H+2Na"	46.985712
"1437272"	335.109346	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H+HCOOH"	47.012746
"228061"	316.11884	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+3H2O+2H"	56.04448
"1523420"	349.16139	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+IsoProp+H"	61.06479
"421278"	319.072788	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+Na+K"	61.952376
"783009"	463.121088	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+Na+K"	61.952376
"1680071"	175.024488	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Na+K"	61.952376
"266224"	640.208968	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+ACN+Na"	64.015768
"1238202"	352.112368	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+ACN+Na"	64.015768
"1726725"	352.135893	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+NH4+HCOOH"	64.039293
"1190984"	119.021418	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+3Na"	68.967654
"1664159"	357.091288	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Na+HCOOH"	68.994688
"171019"	653.11224	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+2K-H"	76.91904
"612048"	941.20884	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+2K-H"	76.91904
"1098510"	365.01564	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2K-H"	76.91904
"155327"	327.059758	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"2M+2K"	77.926316
"592571"	471.108058	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"3M+2K"	77.926316
"1080366"	183.011458	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2K"	77.926316
"1111386"	367.030192	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2K+H"	78.933592
"1347406"	367.117807	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+DMSO+H"	79.021207
"1017029"	371.156976	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2ACN+H"	83.060376
"1538068"	372.150608	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+IsoProp+Na+H"	84.054008
"1003056"	186.082126	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+2ACN+2H"	84.067652
"1594279"	373.065228	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+K+HCOOH"	84.968628
"1418115"	403.096738	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+H+CF3COOH"	115.000138
"1151318"	206.595401	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+3ACN+2H"	125.094202
"1703059"	420.123285	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+NH4+CF3COOH"	132.026685
"1644177"	425.07868	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+Na+CF3COOH"	136.98208
"1585295"	441.05262	"C07558"	"Methitural"	"C12H20N2O2S2"	"288.0966"	"M+K+CF3COOH"	152.95602
"813842"	183.0815	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M"	0
"981541"	164.06311	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-H2O-H"	-19.01839
"71970"	121.047057333333	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M-3H"	-3.021828
"509344"	182.074224	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M-3H"	-3.021828
"888241"	60.0198906666667	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-3H"	-3.021828
"6815"	182.074224	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M-2H"	-2.014552
"447468"	273.614974	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M-2H"	-2.014552
"826366"	90.533474	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-2H"	-2.014552
"84170"	365.155724	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M-H"	-1.007276
"528102"	548.237224	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M-H"	-1.007276
"902625"	182.074224	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-H"	-1.007276
"49346"	382.182271	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M-2H+NH4"	16.019271
"496563"	565.263771	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M-2H+NH4"	16.019271
"874369"	199.100771	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-2H+NH4"	16.019271
"41174"	387.137666	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M-2H+Na"	20.974666
"479642"	570.219166	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M-2H+Na"	20.974666
"857442"	204.056166	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-2H+Na"	20.974666
"1626973"	204.056166	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Na-2H"	20.974666
"99126"	200.062563	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M-H+Cl"	33.962126
"543060"	291.603313	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M-H+Cl"	33.962126
"930017"	108.521813	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-H+Cl"	33.962126
"268089"	401.132402	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+Cl"	34.969402
"664280"	584.213902	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+Cl"	34.969402
"1272828"	218.050902	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Cl"	34.969402
"21427"	403.111606	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M-2H+K"	36.948606
"469373"	586.193106	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M-2H+K"	36.948606
"845717"	220.030106	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-2H+K"	36.948606
"1567747"	220.030106	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+K-2H"	36.948606
"952347"	228.079694	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-H+HCOOH"	44.998194
"365098"	411.161201	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+HCOOH-H"	44.998201
"348980"	425.176851	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+Hac-H"	59.013851
"1500001"	242.095351	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Hac-H"	59.013851
"966449"	250.061651	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-H+NaCOOH"	66.980151
"120823"	218.050902	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+2Cl"	69.938804
"558195"	309.591652	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+2Cl"	69.938804
"1030275"	126.510152	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2Cl"	69.938804
"1253863"	262.000385	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Br"	78.918885
"1305983"	264.056372	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Cl+HCOOH"	80.974872
"1325426"	286.038329	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Cl+NaCOOH"	102.956829
"915389"	296.067086	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M-H+CF3COOH"	112.985586
"1292101"	332.043764	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Cl+CF3COOH"	148.962264
"1367463"	148.068824	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H-2H2O"	-35.012676
"1389947"	166.0788	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H-H2O"	-17.0027
"290727"	367.170276	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+H"	1.007276
"687524"	550.251776	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+H"	1.007276
"1362413"	184.088776	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H"	1.007276
"133478"	184.088776	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+2H"	2.014552
"569037"	275.629526	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+2H"	2.014552
"1044034"	92.548026	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2H"	2.014552
"205371"	123.061609333333	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+3H"	3.021828
"646392"	184.088776	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+3H"	3.021828
"1169622"	62.0344426666667	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+3H"	3.021828
"429614"	384.196823	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+NH4"	18.033823
"788426"	567.278323	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+NH4"	18.033823
"1685847"	201.115323	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+NH4"	18.033823
"332299"	192.6020495	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+H+NH4"	19.041099
"724358"	284.1427995	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+H+NH4"	19.041099
"1482549"	101.0612995	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H+NH4"	19.041099
"395769"	389.152218	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+Na"	22.989218
"762234"	572.233718	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+Na"	22.989218
"1611426"	206.070718	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Na"	22.989218
"318181"	195.079747	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+H+Na"	23.996494
"707317"	286.620497	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+H+Na"	23.996494
"1465521"	103.538997	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H+Na"	23.996494
"1057670"	69.3617566666667	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2H+Na"	25.00377
"1264821"	216.114986	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+CH3OH+H"	33.033486
"384488"	405.126158	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+K"	38.963158
"749860"	588.207658	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+K"	38.963158
"1554102"	222.044658	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+K"	38.963158
"312616"	203.066717	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+H+K"	39.970434
"705159"	294.607467	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+H+K"	39.970434
"1447680"	111.525967	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H+K"	39.970434
"237009"	408.196826	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+ACN+H"	42.033826
"1211663"	225.115326	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+ACN+H"	42.033826
"1200529"	113.061301	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+ACN+2H"	43.041102
"193401"	411.13416	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+2Na-H"	44.97116
"635147"	594.21566	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+2Na-H"	44.97116
"1139752"	228.05266	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2Na-H"	44.97116
"185960"	206.070718	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+2Na"	45.978436
"627342"	297.611468	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+2Na"	45.978436
"1129764"	114.529968	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2Na"	45.978436
"1410734"	76.6890706666667	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H+2Na"	46.985712
"1438475"	230.094246	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H+HCOOH"	47.012746
"229265"	211.10374	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+3H2O+2H"	56.04448
"1524136"	244.14629	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+IsoProp+H"	61.06479
"422848"	214.057688	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+Na+K"	61.952376
"785552"	305.598438	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+Na+K"	61.952376
"1679452"	122.516938	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Na+K"	61.952376
"264143"	430.178768	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+ACN+Na"	64.015768
"1239041"	247.097268	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+ACN+Na"	64.015768
"1727562"	247.120793	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+NH4+HCOOH"	64.039293
"1191094"	84.0163846666667	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+3Na"	68.967654
"1665282"	252.076188	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Na+HCOOH"	68.994688
"170765"	443.08204	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+2K-H"	76.91904
"612606"	626.16354	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+2K-H"	76.91904
"1098493"	260.00054	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2K-H"	76.91904
"155311"	222.044658	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"2M+2K"	77.926316
"594867"	313.585408	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"3M+2K"	77.926316
"1082658"	130.503908	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2K"	77.926316
"1112589"	262.015092	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2K+H"	78.933592
"1347881"	262.102707	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+DMSO+H"	79.021207
"1018598"	266.141876	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2ACN+H"	83.060376
"1538302"	267.135508	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+IsoProp+Na+H"	84.054008
"999886"	133.574576	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+2ACN+2H"	84.067652
"1594388"	268.050128	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+K+HCOOH"	84.968628
"1417861"	298.081638	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+H+CF3COOH"	115.000138
"1150335"	154.087851	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+3ACN+2H"	125.094202
"1704262"	315.108185	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+NH4+CF3COOH"	132.026685
"1644287"	320.06358	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+Na+CF3COOH"	136.98208
"1585405"	336.03752	"C07559"	"Chlorphentermine"	"C10H14ClN"	"183.0815"	"M+K+CF3COOH"	152.95602
"810307"	250.1106	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M"	0
"976184"	231.09221	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-H2O-H"	-19.01839
"63489"	165.733124	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M-3H"	-3.021828
"503290"	249.103324	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M-3H"	-3.021828
"888351"	82.362924	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-3H"	-3.021828
"8018"	249.103324	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M-2H"	-2.014552
"447578"	374.158624	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M-2H"	-2.014552
"826476"	124.048024	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-2H"	-2.014552
"84280"	499.213924	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M-H"	-1.007276
"523838"	749.324524	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M-H"	-1.007276
"902735"	249.103324	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-H"	-1.007276
"51642"	516.240471	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M-2H+NH4"	16.019271
"493394"	766.351071	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M-2H+NH4"	16.019271
"874475"	266.129871	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-2H+NH4"	16.019271
"41285"	521.195866	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M-2H+Na"	20.974666
"478659"	771.306466	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M-2H+Na"	20.974666
"855365"	271.085266	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-2H+Na"	20.974666
"1625989"	271.085266	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Na-2H"	20.974666
"98143"	267.091663	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M-H+Cl"	33.962126
"538797"	392.146963	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M-H+Cl"	33.962126
"927816"	142.036363	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-H+Cl"	33.962126
"268686"	535.190602	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+Cl"	34.969402
"663297"	785.301202	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+Cl"	34.969402
"1273023"	285.080002	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Cl"	34.969402
"27004"	537.169806	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M-2H+K"	36.948606
"468753"	787.280406	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M-2H+K"	36.948606
"845463"	287.059206	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-2H+K"	36.948606
"1562388"	287.059206	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+K-2H"	36.948606
"952457"	295.108794	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-H+HCOOH"	44.998194
"365208"	545.219401	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+HCOOH-H"	44.998201
"349089"	559.235051	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+Hac-H"	59.013851
"1497924"	309.124451	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Hac-H"	59.013851
"968746"	317.090751	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-H+NaCOOH"	66.980151
"120933"	285.080002	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+2Cl"	69.938804
"558305"	410.135302	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+2Cl"	69.938804
"1027105"	160.024702	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2Cl"	69.938804
"1253244"	329.029485	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Br"	78.918885
"1305850"	331.085472	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Cl+HCOOH"	80.974872
"1322254"	353.067429	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Cl+NaCOOH"	102.956829
"914404"	363.096186	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M-H+CF3COOH"	112.985586
"1291114"	399.072864	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Cl+CF3COOH"	148.962264
"1368667"	215.097924	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H-2H2O"	-35.012676
"1388963"	233.1079	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H-H2O"	-17.0027
"287557"	501.228476	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+H"	1.007276
"687632"	751.339076	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+H"	1.007276
"1360700"	251.117876	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H"	1.007276
"136868"	251.117876	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+2H"	2.014552
"568783"	376.173176	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+2H"	2.014552
"1041957"	126.062576	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2H"	2.014552
"206577"	167.747676	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+3H"	3.021828
"646138"	251.117876	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+3H"	3.021828
"1170826"	84.377476	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+3H"	3.021828
"428631"	518.255023	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+NH4"	18.033823
"787442"	768.365623	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+NH4"	18.033823
"1687050"	268.144423	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+NH4"	18.033823
"335325"	259.6311495	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+H+NH4"	19.041099
"728841"	384.6864495	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+H+NH4"	19.041099
"1482660"	134.5758495	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H+NH4"	19.041099
"401346"	523.210418	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+Na"	22.989218
"760157"	773.321018	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+Na"	22.989218
"1609349"	273.099818	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Na"	22.989218
"315617"	262.108847	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+H+Na"	23.996494
"708034"	387.164147	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+H+Na"	23.996494
"1464537"	137.053547	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H+Na"	23.996494
"1056687"	91.70479	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2H+Na"	25.00377
"1264931"	283.144086	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+CH3OH+H"	33.033486
"380588"	539.184358	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+K"	38.963158
"746687"	789.294958	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+K"	38.963158
"1552023"	289.073758	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+K"	38.963158
"312605"	270.095817	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+H+K"	39.970434
"704540"	395.151117	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+H+K"	39.970434
"1451069"	145.040517	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H+K"	39.970434
"240764"	542.255026	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+ACN+H"	42.033826
"1214567"	292.144426	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+ACN+H"	42.033826
"1200636"	146.575851	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+ACN+2H"	43.041102
"195696"	545.19236	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+2Na-H"	44.97116
"638537"	795.30296	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+2Na-H"	44.97116
"1139862"	295.08176	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2Na-H"	44.97116
"185342"	273.099818	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+2Na"	45.978436
"626728"	398.155118	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+2Na"	45.978436
"1129144"	148.044518	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2Na"	45.978436
"1409751"	99.032104	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H+2Na"	46.985712
"1438585"	297.123346	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H+HCOOH"	47.012746
"227188"	278.13284	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+3H2O+2H"	56.04448
"1523639"	311.17539	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+IsoProp+H"	61.06479
"423443"	281.086788	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+Na+K"	61.952376
"784930"	406.142088	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+Na+K"	61.952376
"1679921"	156.031488	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Na+K"	61.952376
"264254"	564.236968	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+ACN+Na"	64.015768
"1238786"	314.126368	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+ACN+Na"	64.015768
"1725486"	314.149893	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+NH4+HCOOH"	64.039293
"1189018"	106.359418	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+3Na"	68.967654
"1664379"	319.105288	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Na+HCOOH"	68.994688
"169053"	577.14024	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+2K-H"	76.91904
"610808"	827.25084	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+2K-H"	76.91904
"1097145"	327.02964	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2K-H"	76.91904
"154326"	289.073758	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"2M+2K"	77.926316
"593885"	414.129058	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"3M+2K"	77.926316
"1081313"	164.018458	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2K"	77.926316
"1112335"	329.044192	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2K+H"	78.933592
"1347992"	329.131807	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+DMSO+H"	79.021207
"1018342"	333.170976	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2ACN+H"	83.060376
"1536830"	334.164608	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+IsoProp+Na+H"	84.054008
"999996"	167.089126	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+2ACN+2H"	84.067652
"1592312"	335.079228	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+K+HCOOH"	84.968628
"1419064"	365.110738	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+H+CF3COOH"	115.000138
"1151538"	187.602401	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+3ACN+2H"	125.094202
"1703279"	382.137285	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+NH4+CF3COOH"	132.026685
"1644397"	387.09268	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+Na+CF3COOH"	136.98208
"1585515"	403.06662	"C07560"	"Methaqualone"	"C16H14N2O"	"250.1106"	"M+K+CF3COOH"	152.95602
"812604"	151.8754	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M"	0
"979574"	132.85701	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-H2O-H"	-19.01839
"63437"	100.242990666667	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M-3H"	-3.021828
"504461"	150.868124	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M-3H"	-3.021828
"889554"	49.6178573333333	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-3H"	-3.021828
"7035"	150.868124	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M-2H"	-2.014552
"444408"	226.805824	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M-2H"	-2.014552
"826586"	74.930424	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-2H"	-2.014552
"81474"	302.743524	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M-H"	-1.007276
"522854"	454.618924	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M-H"	-1.007276
"900657"	150.868124	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-H"	-1.007276
"52844"	319.770071	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M-2H+NH4"	16.019271
"497877"	471.645471	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M-2H+NH4"	16.019271
"871305"	167.894671	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-2H+NH4"	16.019271
"42489"	324.725466	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M-2H+Na"	20.974666
"478769"	476.600866	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M-2H+Na"	20.974666
"858756"	172.850066	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-2H+Na"	20.974666
"1626099"	172.850066	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Na-2H"	20.974666
"100440"	168.856463	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M-H+Cl"	33.962126
"542187"	244.794163	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M-H+Cl"	33.962126
"930236"	92.918763	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-H+Cl"	33.962126
"268796"	338.720202	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+Cl"	34.969402
"663407"	490.595602	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+Cl"	34.969402
"1274715"	186.844802	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Cl"	34.969402
"27114"	340.699406	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M-2H+K"	36.948606
"468864"	492.574806	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M-2H+K"	36.948606
"844478"	188.824006	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-2H+K"	36.948606
"1567965"	188.824006	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+K-2H"	36.948606
"955847"	196.873594	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-H+HCOOH"	44.998194
"364225"	348.749001	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+HCOOH-H"	44.998201
"349201"	362.764651	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+Hac-H"	59.013851
"1499128"	210.889251	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Hac-H"	59.013851
"968856"	218.855551	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-H+NaCOOH"	66.980151
"121043"	186.844802	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+2Cl"	69.938804
"558416"	262.782502	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+2Cl"	69.938804
"1028309"	110.907102	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2Cl"	69.938804
"1250075"	230.794285	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Br"	78.918885
"1309243"	232.850272	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Cl+HCOOH"	80.974872
"1322729"	254.832229	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Cl+NaCOOH"	102.956829
"914514"	264.860986	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M-H+CF3COOH"	112.985586
"1291223"	300.837664	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Cl+CF3COOH"	148.962264
"1367723"	116.862724	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H-2H2O"	-35.012676
"1387250"	134.8727	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H-H2O"	-17.0027
"287667"	304.758076	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+H"	1.007276
"687014"	456.633476	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+H"	1.007276
"1360811"	152.882676	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H"	1.007276
"134792"	152.882676	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+2H"	2.014552
"568889"	228.820376	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+2H"	2.014552
"1043159"	76.944976	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2H"	2.014552
"207779"	102.257542666667	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+3H"	3.021828
"649529"	152.882676	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+3H"	3.021828
"1170937"	51.6324093333333	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+3H"	3.021828
"424854"	321.784623	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+NH4"	18.033823
"787552"	473.660023	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+NH4"	18.033823
"1683517"	169.909223	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+NH4"	18.033823
"335436"	161.3959495	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+H+NH4"	19.041099
"727858"	237.3336495	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+H+NH4"	19.041099
"1483866"	85.4582495	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H+NH4"	19.041099
"401456"	326.740018	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+Na"	22.989218
"760266"	478.615418	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+Na"	22.989218
"1607272"	174.864618	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Na"	22.989218
"315484"	163.873647	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+H+Na"	23.996494
"708387"	239.811347	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+H+Na"	23.996494
"1466831"	87.935947	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H+Na"	23.996494
"1055704"	58.9597233333333	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2H+Na"	25.00377
"1262854"	184.908886	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+CH3OH+H"	33.033486
"380334"	342.713958	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+K"	38.963158
"747890"	494.589358	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+K"	38.963158
"1553226"	190.838558	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+K"	38.963158
"307125"	171.860617	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+H+K"	39.970434
"704650"	247.798317	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+H+K"	39.970434
"1451177"	95.922917	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H+K"	39.970434
"239781"	345.784626	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+ACN+H"	42.033826
"1212854"	193.909226	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+ACN+H"	42.033826
"1199653"	97.458251	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+ACN+2H"	43.041102
"194711"	348.72196	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+2Na-H"	44.97116
"634274"	500.59736	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+2Na-H"	44.97116
"1139971"	196.84656	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2Na-H"	44.97116
"186182"	174.864618	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+2Na"	45.978436
"626837"	250.802318	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+2Na"	45.978436
"1129254"	98.926918	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2Na"	45.978436
"1408767"	66.2870373333333	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H+2Na"	46.985712
"1437602"	198.888146	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H+HCOOH"	47.012746
"227298"	179.89764	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+3H2O+2H"	56.04448
"1523264"	212.94019	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+IsoProp+H"	61.06479
"423432"	182.851588	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+Na+K"	61.952376
"781512"	258.789288	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+Na+K"	61.952376
"1675655"	106.913888	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Na+K"	61.952376
"262175"	367.766568	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+ACN+Na"	64.015768
"1240597"	215.891168	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+ACN+Na"	64.015768
"1725958"	215.914693	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+NH4+HCOOH"	64.039293
"1191314"	73.6143513333333	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+3Na"	68.967654
"1664127"	220.870088	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Na+HCOOH"	68.994688
"171350"	380.66984	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+2K-H"	76.91904
"609463"	532.54524	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+2K-H"	76.91904
"1096164"	228.79444	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2K-H"	76.91904
"152249"	190.838558	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"2M+2K"	77.926316
"591804"	266.776258	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"3M+2K"	77.926316
"1078870"	114.900858	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2K"	77.926316
"1112442"	230.808992	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2K+H"	78.933592
"1347374"	230.896607	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+DMSO+H"	79.021207
"1017358"	234.935776	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2ACN+H"	83.060376
"1536576"	235.929408	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+IsoProp+Na+H"	84.054008
"1002292"	117.971526	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+2ACN+2H"	84.067652
"1594608"	236.844028	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+K+HCOOH"	84.968628
"1415041"	266.875538	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+H+CF3COOH"	115.000138
"1147635"	138.484801	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+3ACN+2H"	125.094202
"1700107"	283.902085	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+NH4+CF3COOH"	132.026685
"1644507"	288.85748	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+Na+CF3COOH"	136.98208
"1585625"	304.83142	"C07561"	"Carbon tetrachloride;Tetrachloromethane"	"CCl4"	"151.8754"	"M+K+CF3COOH"	152.95602
"811621"	260.1889	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M"	0
"979685"	241.17051	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-H2O-H"	-19.01839
"63308"	172.451990666667	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M-3H"	-3.021828
"507488"	259.181624	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M-3H"	-3.021828
"891488"	85.7223573333333	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-3H"	-3.021828
"10426"	259.181624	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M-2H"	-2.014552
"446705"	389.276074	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M-2H"	-2.014552
"826696"	129.087174	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-2H"	-2.014552
"85594"	519.370524	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M-H"	-1.007276
"522966"	779.559424	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M-H"	-1.007276
"899676"	259.181624	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-H"	-1.007276
"54051"	536.397071	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M-2H+NH4"	16.019271
"499080"	796.585971	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M-2H+NH4"	16.019271
"876883"	276.208171	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-2H+NH4"	16.019271
"41505"	541.352466	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M-2H+Na"	20.974666
"481064"	801.541366	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M-2H+Na"	20.974666
"857773"	281.163566	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-2H+Na"	20.974666
"1622930"	281.163566	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Na-2H"	20.974666
"100551"	277.169963	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M-H+Cl"	33.962126
"541203"	407.264413	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M-H+Cl"	33.962126
"929254"	147.075513	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-H+Cl"	33.962126
"273280"	555.347202	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+Cl"	34.969402
"663517"	815.536102	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+Cl"	34.969402
"1277013"	295.158302	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Cl"	34.969402
"26131"	557.326406	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M-2H+K"	36.948606
"464599"	817.515306	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M-2H+K"	36.948606
"845681"	297.137506	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-2H+K"	36.948606
"1563702"	297.137506	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+K-2H"	36.948606
"947209"	305.187094	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-H+HCOOH"	44.998194
"364335"	565.376001	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+HCOOH-H"	44.998201
"348218"	579.391651	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+Hac-H"	59.013851
"1499238"	319.202751	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Hac-H"	59.013851
"965686"	327.169051	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-H+NaCOOH"	66.980151
"117873"	295.158302	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+2Cl"	69.938804
"558527"	425.252752	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+2Cl"	69.938804
"1030606"	165.063852	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2Cl"	69.938804
"1255289"	339.107785	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Br"	78.918885
"1309354"	341.163772	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Cl+HCOOH"	80.974872
"1325756"	363.145729	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Cl+NaCOOH"	102.956829
"915718"	373.174486	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M-H+CF3COOH"	112.985586
"1292428"	409.151164	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Cl+CF3COOH"	148.962264
"1369495"	225.176224	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H-2H2O"	-35.012676
"1387360"	243.1862	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H-H2O"	-17.0027
"293244"	521.385076	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+H"	1.007276
"687854"	781.573976	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+H"	1.007276
"1359828"	261.196176	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H"	1.007276
"138187"	261.196176	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+2H"	2.014552
"569729"	391.290626	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+2H"	2.014552
"1041446"	131.101726	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2H"	2.014552
"211170"	174.466542666667	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+3H"	3.021828
"648546"	261.196176	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+3H"	3.021828
"1166674"	87.7369093333333	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+3H"	3.021828
"424640"	538.411623	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+NH4"	18.033823
"793131"	798.600523	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+NH4"	18.033823
"1685087"	278.222723	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+NH4"	18.033823
"332269"	269.7094495	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+H+NH4"	19.041099
"727969"	399.8038995	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+H+NH4"	19.041099
"1483978"	139.6149995	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H+NH4"	19.041099
"402656"	543.367018	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+Na"	22.989218
"755999"	803.555918	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+Na"	22.989218
"1608476"	283.178118	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Na"	22.989218
"315838"	272.187147	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+H+Na"	23.996494
"708745"	402.281597	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+H+Na"	23.996494
"1466941"	142.092697	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H+Na"	23.996494
"1057999"	95.0642233333333	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2H+Na"	25.00377
"1265151"	293.222386	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+CH3OH+H"	33.033486
"384818"	559.340958	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+K"	38.963158
"747639"	819.529858	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+K"	38.963158
"1550056"	299.152058	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+K"	38.963158
"312338"	280.174117	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+H+K"	39.970434
"706543"	410.268567	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+H+K"	39.970434
"1455662"	150.079667	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H+K"	39.970434
"238795"	562.411626	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+ACN+H"	42.033826
"1212232"	302.222726	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+ACN+H"	42.033826
"1198669"	151.615001	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+ACN+2H"	43.041102
"194821"	565.34896	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+2Na-H"	44.97116
"635475"	825.53786	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+2Na-H"	44.97116
"1140081"	305.16006	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2Na-H"	44.97116
"187387"	283.178118	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+2Na"	45.978436
"628326"	413.272568	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+2Na"	45.978436
"1131032"	153.083668	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2Na"	45.978436
"1411787"	102.391537333333	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H+2Na"	46.985712
"1437709"	307.201646	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H+HCOOH"	47.012746
"227407"	288.21114	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+3H2O+2H"	56.04448
"1519479"	321.25369	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+IsoProp+H"	61.06479
"419530"	291.165088	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+Na+K"	61.952376
"782715"	421.259538	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+Na+K"	61.952376
"1675764"	161.070638	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Na+K"	61.952376
"257909"	584.393568	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+ACN+Na"	64.015768
"1234994"	324.204668	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+ACN+Na"	64.015768
"1716590"	324.228193	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+NH4+HCOOH"	64.039293
"1189235"	109.718851333333	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+3Na"	68.967654
"1655847"	329.183588	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Na+HCOOH"	68.994688
"172189"	597.29684	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+2K-H"	76.91904
"609936"	857.48574	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+2K-H"	76.91904
"1094441"	337.10794	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2K-H"	76.91904
"154539"	299.152058	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"2M+2K"	77.926316
"590819"	429.246508	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"3M+2K"	77.926316
"1072048"	169.057608	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2K"	77.926316
"1101247"	339.122492	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2K+H"	78.933592
"1342735"	339.210107	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+DMSO+H"	79.021207
"1016734"	343.249276	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2ACN+H"	83.060376
"1535955"	344.242908	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+IsoProp+Na+H"	84.054008
"999123"	172.128276	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+2ACN+2H"	84.067652
"1593625"	345.157528	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+K+HCOOH"	84.968628
"1416002"	375.189038	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+H+CF3COOH"	115.000138
"1148841"	192.641551	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+3ACN+2H"	125.094202
"1703498"	392.215585	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+NH4+CF3COOH"	132.026685
"1644617"	397.17098	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+Na+CF3COOH"	136.98208
"1585735"	413.14492	"C07564"	"Ropinirole"	"C16H24N2O"	"260.1889"	"M+K+CF3COOH"	152.95602
"811730"	135.0684	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M"	0
"979795"	116.05001	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-H2O-H"	-19.01839
"63663"	89.038324	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M-3H"	-3.021828
"507598"	134.061124	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M-3H"	-3.021828
"890869"	44.015524	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-3H"	-3.021828
"9443"	134.061124	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M-2H"	-2.014552
"446815"	201.595324	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M-2H"	-2.014552
"823526"	66.526924	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-2H"	-2.014552
"85704"	269.129524	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M-H"	-1.007276
"524169"	404.197924	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M-H"	-1.007276
"899784"	134.061124	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-H"	-1.007276
"51244"	286.156071	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M-2H+NH4"	16.019271
"492629"	421.224471	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M-2H+NH4"	16.019271
"871526"	151.087671	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-2H+NH4"	16.019271
"38332"	291.111466	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M-2H+Na"	20.974666
"476802"	426.179866	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M-2H+Na"	20.974666
"856789"	156.043066	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-2H+Na"	20.974666
"1623041"	156.043066	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Na-2H"	20.974666
"98474"	152.049463	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M-H+Cl"	33.962126
"543500"	219.583663	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M-H+Cl"	33.962126
"930457"	84.515263	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-H+Cl"	33.962126
"272293"	305.106202	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+Cl"	34.969402
"663625"	440.174602	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+Cl"	34.969402
"1277123"	170.037802	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Cl"	34.969402
"24054"	307.085406	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M-2H+K"	36.948606
"464709"	442.153806	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M-2H+K"	36.948606
"845790"	172.017006	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-2H+K"	36.948606
"1568185"	172.017006	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+K-2H"	36.948606
"949506"	180.066594	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-H+HCOOH"	44.998194
"369912"	315.135001	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+HCOOH-H"	44.998201
"348692"	329.150651	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+Hac-H"	59.013851
"1497525"	194.082251	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Hac-H"	59.013851
"965796"	202.048551	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-H+NaCOOH"	66.980151
"121263"	170.037802	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+2Cl"	69.938804
"561917"	237.572002	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+2Cl"	69.938804
"1036873"	102.503602	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2Cl"	69.938804
"1256817"	213.987285	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Br"	78.918885
"1308735"	216.043272	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Cl+HCOOH"	80.974872
"1326960"	238.025229	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Cl+NaCOOH"	102.956829
"915828"	248.053986	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M-H+CF3COOH"	112.985586
"1293631"	284.030664	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Cl+CF3COOH"	148.962264
"1370700"	100.055724	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H-2H2O"	-35.012676
"1386741"	118.0657	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H-H2O"	-17.0027
"293354"	271.144076	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+H"	1.007276
"688692"	406.212476	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+H"	1.007276
"1362491"	136.075676	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H"	1.007276
"137202"	136.075676	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+2H"	2.014552
"573485"	203.609876	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+2H"	2.014552
"1046295"	68.541476	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2H"	2.014552
"210185"	91.052876	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+3H"	3.021828
"654122"	136.075676	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+3H"	3.021828
"1173345"	46.030076	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+3H"	3.021828
"434065"	288.170623	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+NH4"	18.033823
"787772"	423.239023	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+NH4"	18.033823
"1682644"	153.102223	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+NH4"	18.033823
"332743"	144.5889495	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+H+NH4"	19.041099
"736101"	212.1231495	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+H+NH4"	19.041099
"1484088"	77.0547495	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H+NH4"	19.041099
"406777"	293.126018	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+Na"	22.989218
"759389"	428.194418	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+Na"	22.989218
"1605305"	158.057618	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Na"	22.989218
"315342"	147.066647	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+H+Na"	23.996494
"708127"	214.600847	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+H+Na"	23.996494
"1462797"	79.532447	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H+Na"	23.996494
"1053488"	53.35739	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2H+Na"	25.00377
"1261979"	168.101886	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+CH3OH+H"	33.033486
"391129"	309.099958	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+K"	38.963158
"749207"	444.168358	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+K"	38.963158
"1550166"	174.031558	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+K"	38.963158
"309532"	155.053617	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+H+K"	39.970434
"705234"	222.587817	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+H+K"	39.970434
"1450305"	87.519417	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H+K"	39.970434
"239998"	312.170626	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+ACN+H"	42.033826
"1213801"	177.102226	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+ACN+H"	42.033826
"1195497"	89.054751	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+ACN+2H"	43.041102
"194930"	315.10796	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+2Na-H"	44.97116
"631941"	450.17636	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+2Na-H"	44.97116
"1142377"	180.03956	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2Na-H"	44.97116
"184213"	158.057618	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+2Na"	45.978436
"628478"	225.591818	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+2Na"	45.978436
"1131307"	90.523418	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2Na"	45.978436
"1412752"	60.684704	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H+2Na"	46.985712
"1438911"	182.081146	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H+HCOOH"	47.012746
"229701"	163.09064	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+3H2O+2H"	56.04448
"1516673"	196.13319	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+IsoProp+H"	61.06479
"417453"	166.044588	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+Na+K"	61.952376
"778446"	233.578788	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+Na+K"	61.952376
"1673687"	98.510388	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Na+K"	61.952376
"256925"	334.152568	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+ACN+Na"	64.015768
"1232916"	199.084168	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+ACN+Na"	64.015768
"1717429"	199.107693	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+NH4+HCOOH"	64.039293
"1190438"	68.012018	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+3Na"	68.967654
"1655957"	204.063088	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Na+HCOOH"	68.994688
"172541"	347.05584	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+2K-H"	76.91904
"611626"	482.12424	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+2K-H"	76.91904
"1096737"	211.98744	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2K-H"	76.91904
"152462"	174.031558	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"2M+2K"	77.926316
"592022"	241.565758	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"3M+2K"	77.926316
"1072158"	106.497358	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2K"	77.926316
"1102086"	214.001992	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2K+H"	78.933592
"1340658"	214.089607	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+DMSO+H"	79.021207
"1013562"	218.128776	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2ACN+H"	83.060376
"1532783"	219.122408	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+IsoProp+Na+H"	84.054008
"1002511"	109.568026	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+2ACN+2H"	84.067652
"1594828"	220.037028	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+K+HCOOH"	84.968628
"1414290"	250.068538	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+H+CF3COOH"	115.000138
"1147490"	130.081301	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+3ACN+2H"	125.094202
"1706888"	267.095085	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+NH4+CF3COOH"	132.026685
"1644727"	272.05048	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+Na+CF3COOH"	136.98208
"1585845"	288.02442	"C07565"	"Acetanilide;N-Phenylacetamide;N-Acetylarylamine"	"C8H9NO"	"135.0684"	"M+K+CF3COOH"	152.95602
"810748"	461.2279	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M"	0
"979905"	442.20951	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-H2O-H"	-19.01839
"64136"	306.477990666667	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M-3H"	-3.021828
"504427"	460.220624	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M-3H"	-3.021828
"885511"	152.735357333333	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-3H"	-3.021828
"7367"	460.220624	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M-2H"	-2.014552
"443645"	690.834574	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M-2H"	-2.014552
"820357"	229.606674	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-2H"	-2.014552
"81442"	921.448524	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M-H"	-1.007276
"522093"	1382.676424	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M-H"	-1.007276
"896977"	460.220624	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-H"	-1.007276
"48804"	938.475071	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M-2H+NH4"	16.019271
"491646"	1399.702971	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M-2H+NH4"	16.019271
"868356"	477.247171	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-2H+NH4"	16.019271
"38442"	943.430466	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M-2H+Na"	20.974666
"479098"	1404.658366	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M-2H+Na"	20.974666
"856899"	482.202566	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-2H+Na"	20.974666
"1622058"	482.202566	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Na-2H"	20.974666
"98585"	478.208963	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M-H+Cl"	33.962126
"540331"	708.822913	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M-H+Cl"	33.962126
"936034"	247.595013	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-H+Cl"	33.962126
"271310"	957.425202	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+Cl"	34.969402
"663735"	1418.653102	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+Cl"	34.969402
"1273952"	496.197302	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Cl"	34.969402
"27444"	959.404406	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M-2H+K"	36.948606
"464818"	1420.632306	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M-2H+K"	36.948606
"845900"	498.176506	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-2H+K"	36.948606
"1568295"	498.176506	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+K-2H"	36.948606
"949616"	506.226094	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-H+HCOOH"	44.998194
"368929"	967.454001	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+HCOOH-H"	44.998201
"348438"	981.469651	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+Hac-H"	59.013851
"1496176"	520.241751	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Hac-H"	59.013851
"965904"	528.208051	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-H+NaCOOH"	66.980151
"120278"	496.197302	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+2Cl"	69.938804
"563119"	726.811252	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+2Cl"	69.938804
"1034104"	265.583352	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2Cl"	69.938804
"1251497"	540.146785	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Br"	78.918885
"1309573"	542.202772	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Cl+HCOOH"	80.974872
"1323788"	564.184729	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Cl+NaCOOH"	102.956829
"914843"	574.213486	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M-H+CF3COOH"	112.985586
"1292648"	610.190164	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Cl+CF3COOH"	148.962264
"1369717"	426.215224	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H-2H2O"	-35.012676
"1386123"	444.2252	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H-H2O"	-17.0027
"291277"	923.463076	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+H"	1.007276
"688438"	1384.690976	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+H"	1.007276
"1364058"	462.235176	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H"	1.007276
"137676"	462.235176	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+2H"	2.014552
"573595"	692.849126	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+2H"	2.014552
"1050051"	231.621226	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2H"	2.014552
"210296"	308.492542666667	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+3H"	3.021828
"654232"	462.235176	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+3H"	3.021828
"1173092"	154.749909333333	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+3H"	3.021828
"432352"	940.489623	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+NH4"	18.033823
"788976"	1401.717523	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+NH4"	18.033823
"1685307"	479.261723	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+NH4"	18.033823
"332490"	470.7484495	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+H+NH4"	19.041099
"737670"	701.3623995	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+H+NH4"	19.041099
"1488937"	240.1344995	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H+NH4"	19.041099
"406523"	945.445018	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+Na"	22.989218
"759499"	1406.672918	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+Na"	22.989218
"1605415"	484.217118	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Na"	22.989218
"315570"	473.226147	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+H+Na"	23.996494
"709329"	703.840097	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+H+Na"	23.996494
"1463514"	242.612197	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H+Na"	23.996494
"1055299"	162.077223333333	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2H+Na"	25.00377
"1259173"	494.261386	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+CH3OH+H"	33.033486
"389416"	961.418958	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+K"	38.963158
"746037"	1422.646858	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+K"	38.963158
"1550276"	500.191058	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+K"	38.963158
"303082"	481.213117	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+H+K"	39.970434
"698784"	711.827067	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+H+K"	39.970434
"1447497"	250.599167	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H+K"	39.970434
"237923"	964.489626	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+ACN+H"	42.033826
"1212087"	503.261726	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+ACN+H"	42.033826
"1197792"	252.134501	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+ACN+2H"	43.041102
"191027"	967.42696	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+2Na-H"	44.97116
"634600"	1428.65486	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+2Na-H"	44.97116
"1132888"	506.19906	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2Na-H"	44.97116
"183958"	484.217118	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+2Na"	45.978436
"626802"	714.831068	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+2Na"	45.978436
"1130921"	253.603168	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2Na"	45.978436
"1412009"	169.404537333333	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H+2Na"	46.985712
"1439021"	508.240646	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H+HCOOH"	47.012746
"225436"	489.25014	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+3H2O+2H"	56.04448
"1516781"	522.29269	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+IsoProp+H"	61.06479
"416470"	492.204088	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+Na+K"	61.952376
"778556"	722.818038	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+Na+K"	61.952376
"1673794"	261.590138	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Na+K"	61.952376
"255942"	986.471568	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+ACN+Na"	64.015768
"1231933"	525.243668	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+ACN+Na"	64.015768
"1714256"	525.267193	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+NH4+HCOOH"	64.039293
"1178963"	176.731851333333	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+3Na"	68.967654
"1656067"	530.222588	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Na+HCOOH"	68.994688
"172043"	999.37484	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+2K-H"	76.91904
"610886"	1460.60274	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+2K-H"	76.91904
"1096847"	538.14694	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2K-H"	76.91904
"153665"	500.191058	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"2M+2K"	77.926316
"592132"	730.805008	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"3M+2K"	77.926316
"1071175"	269.577108	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2K"	77.926316
"1101103"	540.161492	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2K+H"	78.933592
"1337852"	540.249107	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+DMSO+H"	79.021207
"1010392"	544.288276	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2ACN+H"	83.060376
"1530706"	545.281908	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+IsoProp+Na+H"	84.054008
"1001528"	272.647776	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+2ACN+2H"	84.067652
"1594938"	546.196528	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+K+HCOOH"	84.968628
"1414244"	576.228038	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+H+CF3COOH"	115.000138
"1147352"	293.161051	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+3ACN+2H"	125.094202
"1705905"	593.254585	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+NH4+CF3COOH"	132.026685
"1644837"	598.20998	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+Na+CF3COOH"	136.98208
"1585955"	614.18392	"C07566"	"Pimozide"	"C28H29F2N3O"	"461.2279"	"M+K+CF3COOH"	152.95602
"813775"	440.1779	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M"	0
"983295"	421.15951	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-H2O-H"	-19.01839
"69351"	292.444657333333	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M-3H"	-3.021828
"513285"	439.170624	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M-3H"	-3.021828
"892183"	145.718690666667	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-3H"	-3.021828
"9663"	439.170624	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M-2H"	-2.014552
"447036"	659.259574	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M-2H"	-2.014552
"827029"	219.081674	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-2H"	-2.014552
"85925"	879.348524	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M-H"	-1.007276
"525485"	1319.526424	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M-H"	-1.007276
"902193"	439.170624	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-H"	-1.007276
"52197"	896.375071	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M-2H+NH4"	16.019271
"489569"	1336.552971	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M-2H+NH4"	16.019271
"871747"	456.197171	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-2H+NH4"	16.019271
"41834"	901.330466	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M-2H+Na"	20.974666
"478116"	1341.508366	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M-2H+Na"	20.974666
"861750"	461.152566	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-2H+Na"	20.974666
"1630916"	461.152566	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Na-2H"	20.974666
"101976"	457.158963	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M-H+Cl"	33.962126
"540442"	677.247913	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M-H+Cl"	33.962126
"933958"	237.070013	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-H+Cl"	33.962126
"271421"	915.325202	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+Cl"	34.969402
"664938"	1355.503102	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+Cl"	34.969402
"1276248"	475.147302	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Cl"	34.969402
"27554"	917.304406	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M-2H+K"	36.948606
"467115"	1357.482306	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M-2H+K"	36.948606
"846010"	477.126506	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-2H+K"	36.948606
"1569135"	477.126506	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+K-2H"	36.948606
"949726"	485.176094	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-H+HCOOH"	44.998194
"370132"	925.354001	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+HCOOH-H"	44.998201
"356203"	939.369651	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+Hac-H"	59.013851
"1498473"	499.191751	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Hac-H"	59.013851
"969295"	507.158051	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-H+NaCOOH"	66.980151
"123668"	475.147302	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+2Cl"	69.938804
"558854"	695.236252	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+2Cl"	69.938804
"1034214"	255.058352	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2Cl"	69.938804
"1251606"	519.096785	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Br"	78.918885
"1306035"	521.152772	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Cl+HCOOH"	80.974872
"1320980"	543.134729	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Cl+NaCOOH"	102.956829
"913131"	553.163486	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M-H+CF3COOH"	112.985586
"1293122"	589.140164	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Cl+CF3COOH"	148.962264
"1369461"	405.165224	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H-2H2O"	-35.012676
"1386233"	423.1752	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H-H2O"	-17.0027
"297835"	881.363076	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+H"	1.007276
"691227"	1321.540976	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+H"	1.007276
"1363805"	441.185176	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H"	1.007276
"137787"	441.185176	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+2H"	2.014552
"575894"	661.274126	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+2H"	2.014552
"1045788"	221.096226	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2H"	2.014552
"213687"	294.459209333333	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+3H"	3.021828
"657989"	441.185176	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+3H"	3.021828
"1175025"	147.733242666667	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+3H"	3.021828
"433557"	898.389623	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+NH4"	18.033823
"791273"	1338.567523	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+NH4"	18.033823
"1682259"	458.211723	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+NH4"	18.033823
"331872"	449.6984495	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+H+NH4"	19.041099
"729397"	669.7873995	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+H+NH4"	19.041099
"1483218"	229.6094995	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H+NH4"	19.041099
"405907"	903.345018	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+Na"	22.989218
"758517"	1343.522918	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+Na"	22.989218
"1607712"	463.167118	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Na"	22.989218
"319208"	452.176147	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+H+Na"	23.996494
"710536"	672.265097	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+H+Na"	23.996494
"1463020"	232.087197	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H+Na"	23.996494
"1053956"	155.060556666667	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2H+Na"	25.00377
"1259283"	473.211386	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+CH3OH+H"	33.033486
"388432"	919.318958	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+K"	38.963158
"746147"	1359.496858	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+K"	38.963158
"1547106"	479.141058	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+K"	38.963158
"306472"	460.163117	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+H+K"	39.970434
"701083"	680.252067	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+H+K"	39.970434
"1446517"	240.074167	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H+K"	39.970434
"237665"	922.389626	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+ACN+H"	42.033826
"1210093"	482.211726	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+ACN+H"	42.033826
"1194991"	241.609501	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+ACN+2H"	43.041102
"191870"	925.32696	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+2Na-H"	44.97116
"631795"	1365.50486	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+2Na-H"	44.97116
"1133120"	485.14906	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2Na-H"	44.97116
"186379"	463.167118	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+2Na"	45.978436
"626305"	683.256068	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+2Na"	45.978436
"1130302"	243.078168	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2Na"	45.978436
"1405924"	162.387870666667	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H+2Na"	46.985712
"1443389"	487.190646	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H+HCOOH"	47.012746
"227734"	468.20014	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+3H2O+2H"	56.04448
"1516891"	501.24269	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+IsoProp+H"	61.06479
"416579"	471.154088	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+Na+K"	61.952376
"779761"	691.243038	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+Na+K"	61.952376
"1677185"	251.065138	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Na+K"	61.952376
"258240"	944.371568	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+ACN+Na"	64.015768
"1235323"	504.193668	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+ACN+Na"	64.015768
"1726397"	504.217193	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+NH4+HCOOH"	64.039293
"1187377"	169.715184666667	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+3Na"	68.967654
"1663955"	509.172588	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Na+HCOOH"	68.994688
"170332"	957.27484	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+2K-H"	76.91904
"610630"	1397.45274	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+2K-H"	76.91904
"1096596"	517.09694	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2K-H"	76.91904
"153047"	479.141058	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"2M+2K"	77.926316
"592241"	699.230008	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"3M+2K"	77.926316
"1080033"	259.052108	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2K"	77.926316
"1105588"	519.111492	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2K+H"	78.933592
"1337598"	519.199107	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+DMSO+H"	79.021207
"1013783"	523.238276	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2ACN+H"	83.060376
"1536284"	524.231908	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+IsoProp+Na+H"	84.054008
"1003098"	262.122776	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+2ACN+2H"	84.067652
"1599423"	525.146528	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+K+HCOOH"	84.968628
"1422895"	555.178038	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+H+CF3COOH"	115.000138
"1149902"	282.636051	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+3ACN+2H"	125.094202
"1709295"	572.204585	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+NH4+CF3COOH"	132.026685
"1646040"	577.15998	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+Na+CF3COOH"	136.98208
"1586065"	593.13392	"C07567"	"Sertindole"	"C24H26ClFN4O"	"440.1779"	"M+K+CF3COOH"	152.95602
"813155"	412.1125	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M"	0
"980125"	393.09411	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-H2O-H"	-19.01839
"66180"	273.734390666667	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M-3H"	-3.021828
"506834"	411.105224	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M-3H"	-3.021828
"886825"	136.363557333333	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-3H"	-3.021828
"9773"	411.105224	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M-2H"	-2.014552
"446052"	617.161474	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M-2H"	-2.014552
"829326"	205.048974	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-2H"	-2.014552
"84942"	823.217724	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M-H"	-1.007276
"525595"	1235.330224	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M-H"	-1.007276
"901210"	411.105224	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-H"	-1.007276
"54493"	840.244271	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M-2H+NH4"	16.019271
"489679"	1252.356771	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M-2H+NH4"	16.019271
"872950"	428.131771	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-2H+NH4"	16.019271
"41943"	845.199666	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M-2H+Na"	20.974666
"484423"	1257.312166	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M-2H+Na"	20.974666
"862224"	433.087166	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-2H+Na"	20.974666
"1632119"	433.087166	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Na-2H"	20.974666
"102086"	429.093563	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M-H+Cl"	33.962126
"540551"	635.149813	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M-H+Cl"	33.962126
"937348"	223.037313	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-H+Cl"	33.962126
"272624"	859.194402	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+Cl"	34.969402
"667235"	1271.306902	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+Cl"	34.969402
"1274535"	447.081902	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Cl"	34.969402
"22196"	861.173606	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M-2H+K"	36.948606
"465038"	1273.286106	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M-2H+K"	36.948606
"845756"	449.061106	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-2H+K"	36.948606
"1568515"	449.061106	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+K-2H"	36.948606
"950929"	457.110694	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-H+HCOOH"	44.998194
"370242"	869.223201	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+HCOOH-H"	44.998201
"357406"	883.238851	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+Hac-H"	59.013851
"1506237"	471.126351	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Hac-H"	59.013851
"971591"	479.092651	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-H+NaCOOH"	66.980151
"123778"	447.081902	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+2Cl"	69.938804
"558964"	653.138152	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+2Cl"	69.938804
"1034324"	241.025652	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2Cl"	69.938804
"1252810"	491.031385	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Br"	78.918885
"1307603"	493.087372	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Cl+HCOOH"	80.974872
"1322183"	515.069329	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Cl+NaCOOH"	102.956829
"913604"	525.098086	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M-H+CF3COOH"	112.985586
"1290680"	561.074764	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Cl+CF3COOH"	148.962264
"1372122"	377.099824	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H-2H2O"	-35.012676
"1384878"	395.1098	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H-H2O"	-17.0027
"297700"	825.232276	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+H"	1.007276
"686108"	1237.344776	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+H"	1.007276
"1362457"	413.119776	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H"	1.007276
"138260"	413.119776	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+2H"	2.014552
"570536"	619.176026	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+2H"	2.014552
"1046991"	207.063526	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2H"	2.014552
"212703"	275.748942666667	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+3H"	3.021828
"651172"	413.119776	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+3H"	3.021828
"1175862"	138.378109333333	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+3H"	3.021828
"434760"	842.258823	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+NH4"	18.033823
"791384"	1254.371323	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+NH4"	18.033823
"1684436"	430.146323	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+NH4"	18.033823
"333806"	421.6330495	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+H+NH4"	19.041099
"729507"	627.6892995	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+H+NH4"	19.041099
"1483328"	215.5767995	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H+NH4"	19.041099
"406989"	847.214218	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+Na"	22.989218
"756441"	1259.326718	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+Na"	22.989218
"1607822"	435.101718	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Na"	22.989218
"319319"	424.110747	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+H+Na"	23.996494
"710648"	630.166997	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+H+Na"	23.996494
"1464103"	218.054497	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H+Na"	23.996494
"1055159"	145.705423333333	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2H+Na"	25.00377
"1259029"	445.145986	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+CH3OH+H"	33.033486
"388542"	863.188158	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+K"	38.963158
"746257"	1275.300658	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+K"	38.963158
"1546123"	451.075658	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+K"	38.963158
"312049"	432.097717	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+H+K"	39.970434
"705200"	638.153967	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+H+K"	39.970434
"1449545"	226.041467	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H+K"	39.970434
"236686"	866.258826	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+ACN+H"	42.033826
"1210975"	454.146326	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+ACN+H"	42.033826
"1198017"	227.576801	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+ACN+2H"	43.041102
"194166"	869.19616	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+2Na-H"	44.97116
"630448"	1281.30866	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+2Na-H"	44.97116
"1136146"	457.08366	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2Na-H"	44.97116
"185763"	435.101718	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+2Na"	45.978436
"625929"	641.157968	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+2Na"	45.978436
"1130168"	229.045468	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2Na"	45.978436
"1407127"	153.032737333333	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H+2Na"	46.985712
"1441432"	459.125246	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H+HCOOH"	47.012746
"228576"	440.13474	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+3H2O+2H"	56.04448
"1519555"	473.17729	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+IsoProp+H"	61.06479
"419241"	443.088688	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+Na+K"	61.952376
"780964"	649.144938	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+Na+K"	61.952376
"1677660"	237.032438	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Na+K"	61.952376
"259443"	888.240768	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+ACN+Na"	64.015768
"1235433"	476.128268	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+ACN+Na"	64.015768
"1725414"	476.151793	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+NH4+HCOOH"	64.039293
"1187487"	160.360051333333	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+3Na"	68.967654
"1663218"	481.107188	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Na+HCOOH"	68.994688
"170078"	901.14404	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+2K-H"	76.91904
"610010"	1313.25654	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+2K-H"	76.91904
"1098529"	489.03154	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2K-H"	76.91904
"155346"	451.075658	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"2M+2K"	77.926316
"592719"	657.131908	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"3M+2K"	77.926316
"1080143"	245.019408	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2K"	77.926316
"1110072"	491.046092	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2K+H"	78.933592
"1342083"	491.133707	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+DMSO+H"	79.021207
"1016812"	495.172876	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2ACN+H"	83.060376
"1537487"	496.166508	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+IsoProp+Na+H"	84.054008
"1003575"	248.090076	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+2ACN+2H"	84.067652
"1598440"	497.081128	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+K+HCOOH"	84.968628
"1426286"	527.112638	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+H+CF3COOH"	115.000138
"1155480"	268.603351	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+3ACN+2H"	125.094202
"1709405"	544.139185	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+NH4+CF3COOH"	132.026685
"1646150"	549.09458	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+Na+CF3COOH"	136.98208
"1586175"	565.06852	"C07568"	"Ziprasidone"	"C21H21ClN4OS"	"412.1125"	"M+K+CF3COOH"	152.95602
"814359"	170.0514	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M"	0
"983514"	151.03301	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-H2O-H"	-19.01839
"69570"	112.360324	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M-3H"	-3.021828
"510223"	169.044124	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M-3H"	-3.021828
"888028"	55.676524	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-3H"	-3.021828
"8790"	169.044124	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M-2H"	-2.014552
"448348"	254.069824	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M-2H"	-2.014552
"825061"	84.018424	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-2H"	-2.014552
"83958"	339.095524	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M-H"	-1.007276
"527889"	509.146924	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M-H"	-1.007276
"900226"	169.044124	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-H"	-1.007276
"54603"	356.122071	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M-2H+NH4"	16.019271
"489789"	526.173471	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M-2H+NH4"	16.019271
"873060"	186.070671	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-2H+NH4"	16.019271
"44240"	361.077466	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M-2H+Na"	20.974666
"486353"	531.128866	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M-2H+Na"	20.974666
"863427"	191.026066	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-2H+Na"	20.974666
"1632229"	191.026066	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Na-2H"	20.974666
"101102"	187.032463	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M-H+Cl"	33.962126
"541754"	272.058163	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M-H+Cl"	33.962126
"938552"	102.006763	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-H+Cl"	33.962126
"271641"	375.072202	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+Cl"	34.969402
"669532"	545.123602	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+Cl"	34.969402
"1277562"	205.020802	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Cl"	34.969402
"22306"	377.051406	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M-2H+K"	36.948606
"465148"	547.102806	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M-2H+K"	36.948606
"846960"	207.000006	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-2H+K"	36.948606
"1569719"	207.000006	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+K-2H"	36.948606
"951038"	215.049594	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-H+HCOOH"	44.998194
"370349"	385.101001	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+HCOOH-H"	44.998201
"352049"	399.116651	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+Hac-H"	59.013851
"1503067"	229.065251	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Hac-H"	59.013851
"970607"	237.031551	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-H+NaCOOH"	66.980151
"121701"	205.020802	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+2Cl"	69.938804
"559074"	290.046502	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+2Cl"	69.938804
"1034434"	119.995102	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2Cl"	69.938804
"1255106"	248.970285	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Br"	78.918885
"1305525"	251.026272	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Cl+HCOOH"	80.974872
"1320471"	273.008229	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Cl+NaCOOH"	102.956829
"913351"	283.036986	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M-H+CF3COOH"	112.985586
"1290790"	319.013664	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Cl+CF3COOH"	148.962264
"1372232"	135.038724	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H-2H2O"	-35.012676
"1383530"	153.0487	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H-H2O"	-17.0027
"283702"	341.110076	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+H"	1.007276
"686218"	511.161476	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+H"	1.007276
"1363296"	171.058676	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H"	1.007276
"136185"	171.058676	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+2H"	2.014552
"570646"	256.084376	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+2H"	2.014552
"1047830"	86.032976	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2H"	2.014552
"212813"	114.374876	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+3H"	3.021828
"651282"	171.058676	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+3H"	3.021828
"1176703"	57.691076	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+3H"	3.021828
"435964"	358.136623	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+NH4"	18.033823
"792587"	528.188023	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+NH4"	18.033823
"1683451"	188.085223	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+NH4"	18.033823
"336102"	179.5719495	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+H+NH4"	19.041099
"731804"	264.5976495	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+H+NH4"	19.041099
"1484531"	94.5462495	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H+NH4"	19.041099
"405033"	363.092018	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+Na"	22.989218
"765295"	533.143418	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+Na"	22.989218
"1604648"	193.040618	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Na"	22.989218
"319429"	182.049647	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+H+Na"	23.996494
"710756"	267.075347	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+H+Na"	23.996494
"1463481"	97.023947	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H+Na"	23.996494
"1055269"	65.01839	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2H+Na"	25.00377
"1261325"	203.084886	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+CH3OH+H"	33.033486
"384278"	379.065958	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+K"	38.963158
"743086"	549.117358	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+K"	38.963158
"1546233"	209.014558	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+K"	38.963158
"311068"	190.036617	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+H+K"	39.970434
"704580"	275.062317	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+H+K"	39.970434
"1454028"	105.010917	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H+K"	39.970434
"238984"	382.136626	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+ACN+H"	42.033826
"1214243"	212.085226	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+ACN+H"	42.033826
"1201407"	106.546251	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+ACN+2H"	43.041102
"194277"	385.07396	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+2Na-H"	44.97116
"632744"	555.12536	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+2Na-H"	44.97116
"1136257"	215.02256	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2Na-H"	44.97116
"186965"	193.040618	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+2Na"	45.978436
"627135"	278.066318	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+2Na"	45.978436
"1128084"	108.014918	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2Na"	45.978436
"1410155"	72.345704	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H+2Na"	46.985712
"1440448"	217.064146	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H+HCOOH"	47.012746
"225770"	198.07364	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+3H2O+2H"	56.04448
"1520029"	231.11619	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+IsoProp+H"	61.06479
"419716"	201.027588	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+Na+K"	61.952376
"779981"	286.053288	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+Na+K"	61.952376
"1676311"	116.001888	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Na+K"	61.952376
"257367"	404.118568	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+ACN+Na"	64.015768
"1227888"	234.067168	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+ACN+Na"	64.015768
"1714951"	234.090693	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+NH4+HCOOH"	64.039293
"1187597"	79.673018	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+3Na"	68.967654
"1662963"	239.046088	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Na+HCOOH"	68.994688
"169826"	417.02184	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+2K-H"	76.91904
"609755"	587.07324	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+2K-H"	76.91904
"1096088"	246.97044	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2K-H"	76.91904
"153998"	209.014558	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"2M+2K"	77.926316
"592100"	294.040258	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"3M+2K"	77.926316
"1079160"	123.988858	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2K"	77.926316
"1110182"	248.984992	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2K+H"	78.933592
"1341100"	249.072607	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+DMSO+H"	79.021207
"1015099"	253.111776	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2ACN+H"	83.060376
"1534318"	254.105408	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+IsoProp+Na+H"	84.054008
"1002955"	127.059526	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+2ACN+2H"	84.067652
"1598550"	255.020028	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+K+HCOOH"	84.968628
"1424210"	285.051538	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+H+CF3COOH"	115.000138
"1155590"	147.572801	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+3ACN+2H"	125.094202
"1708422"	302.078085	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+NH4+CF3COOH"	132.026685
"1646260"	307.03348	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+Na+CF3COOH"	136.98208
"1586285"	323.00742	"C07569"	"Propylthiouracil"	"C7H10N2OS"	"170.0514"	"M+K+CF3COOH"	152.95602
"813375"	265.1579	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M"	0
"983624"	246.13951	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-H2O-H"	-19.01839
"71866"	175.764657333333	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M-3H"	-3.021828
"515800"	264.150624	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M-3H"	-3.021828
"888138"	87.3786906666667	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-3H"	-3.021828
"12180"	264.150624	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M-2H"	-2.014552
"450645"	396.729574	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M-2H"	-2.014552
"827357"	131.571674	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-2H"	-2.014552
"85161"	529.308524	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M-H"	-1.007276
"529091"	794.466424	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M-H"	-1.007276
"903615"	264.150624	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-H"	-1.007276
"53619"	546.335071	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M-2H+NH4"	16.019271
"492085"	811.492971	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M-2H+NH4"	16.019271
"874263"	281.177171	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-2H+NH4"	16.019271
"42163"	551.290466	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M-2H+Na"	20.974666
"486343"	816.448366	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M-2H+Na"	20.974666
"862810"	286.132566	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-2H+Na"	20.974666
"1632339"	286.132566	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Na-2H"	20.974666
"99026"	282.138963	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M-H+Cl"	33.962126
"540771"	414.717913	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M-H+Cl"	33.962126
"929912"	149.560013	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-H+Cl"	33.962126
"270658"	565.285202	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+Cl"	34.969402
"664171"	830.443102	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+Cl"	34.969402
"1277669"	300.127302	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Cl"	34.969402
"24599"	567.264406	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M-2H+K"	36.948606
"460880"	832.422306	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M-2H+K"	36.948606
"843059"	302.106506	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-2H+K"	36.948606
"1566547"	302.106506	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+K-2H"	36.948606
"951148"	310.156094	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-H+HCOOH"	44.998194
"371552"	575.314001	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+HCOOH-H"	44.998201
"352159"	589.329651	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+Hac-H"	59.013851
"1503177"	324.171751	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Hac-H"	59.013851
"968530"	332.138051	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-H+NaCOOH"	66.980151
"121811"	300.127302	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+2Cl"	69.938804
"559184"	432.706252	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+2Cl"	69.938804
"1035274"	167.548352	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2Cl"	69.938804
"1255217"	344.076785	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Br"	78.918885
"1308188"	346.132772	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Cl+HCOOH"	80.974872
"1322768"	368.114729	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Cl+NaCOOH"	102.956829
"913462"	378.143486	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M-H+CF3COOH"	112.985586
"1290170"	414.120164	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Cl+CF3COOH"	148.962264
"1371246"	230.145224	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H-2H2O"	-35.012676
"1383518"	248.1552	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H-H2O"	-17.0027
"283488"	531.323076	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+H"	1.007276
"686692"	796.480976	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+H"	1.007276
"1359395"	266.165176	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H"	1.007276
"135564"	266.165176	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+2H"	2.014552
"570754"	398.744126	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+2H"	2.014552
"1047211"	133.586226	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2H"	2.014552
"210736"	177.779209333333	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+3H"	3.021828
"651392"	266.165176	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+3H"	3.021828
"1176447"	89.3932426666667	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+3H"	3.021828
"436074"	548.349623	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+NH4"	18.033823
"789417"	813.507523	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+NH4"	18.033823
"1683925"	283.191723	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+NH4"	18.033823
"341678"	274.6784495	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+H+NH4"	19.041099
"731915"	407.2573995	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+H+NH4"	19.041099
"1485734"	142.0994995	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H+NH4"	19.041099
"404414"	553.305018	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+Na"	22.989218
"763219"	818.462918	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+Na"	22.989218
"1605851"	288.147118	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Na"	22.989218
"319175"	277.156147	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+H+Na"	23.996494
"711594"	409.735097	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+H+Na"	23.996494
"1463227"	144.577197	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H+Na"	23.996494
"1053554"	96.7205566666667	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2H+Na"	25.00377
"1264715"	298.191386	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+CH3OH+H"	33.033486
"386575"	569.278958	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+K"	38.963158
"745383"	834.436858	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+K"	38.963158
"1546343"	304.121058	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+K"	38.963158
"312272"	285.143117	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+H+K"	39.970434
"706150"	417.722067	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+H+K"	39.970434
"1451952"	152.564167	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H+K"	39.970434
"240552"	572.349626	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+ACN+H"	42.033826
"1215446"	307.191726	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+ACN+H"	42.033826
"1202610"	154.099501	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+ACN+2H"	43.041102
"192201"	575.28696	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+2Na-H"	44.97116
"630668"	840.44486	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+2Na-H"	44.97116
"1141832"	310.12906	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2Na-H"	44.97116
"186952"	288.147118	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+2Na"	45.978436
"624689"	420.726068	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+2Na"	45.978436
"1124914"	155.568168	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2Na"	45.978436
"1413669"	104.047870666667	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H+2Na"	46.985712
"1445543"	312.170646	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H+HCOOH"	47.012746
"231346"	293.18014	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+3H2O+2H"	56.04448
"1519407"	326.22269	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+IsoProp+H"	61.06479
"419462"	296.134088	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+Na+K"	61.952376
"780091"	428.713038	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+Na+K"	61.952376
"1676421"	163.555138	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Na+K"	61.952376
"254195"	594.331568	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+ACN+Na"	64.015768
"1227147"	329.173668	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+ACN+Na"	64.015768
"1720166"	329.197193	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+NH4+HCOOH"	64.039293
"1192082"	111.375184666667	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+3Na"	68.967654
"1663804"	334.152588	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Na+HCOOH"	68.994688
"172124"	607.23484	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+2K-H"	76.91904
"609500"	872.39274	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+2K-H"	76.91904
"1094740"	342.07694	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2K-H"	76.91904
"152650"	304.121058	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"2M+2K"	77.926316
"591481"	436.700008	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"3M+2K"	77.926316
"1078177"	171.542108	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2K"	77.926316
"1105920"	344.091492	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2K+H"	78.933592
"1340117"	344.179107	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+DMSO+H"	79.021207
"1014116"	348.218276	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2ACN+H"	83.060376
"1534429"	349.211908	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+IsoProp+Na+H"	84.054008
"1000877"	174.612776	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+2ACN+2H"	84.067652
"1596474"	350.126528	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+K+HCOOH"	84.968628
"1424320"	380.158038	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+H+CF3COOH"	115.000138
"1155700"	195.126051	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+3ACN+2H"	125.094202
"1708532"	397.184585	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+NH4+CF3COOH"	132.026685
"1644183"	402.13998	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+Na+CF3COOH"	136.98208
"1586395"	418.11392	"C07570"	"Mirtazapine"	"C17H19N3"	"265.1579"	"M+K+CF3COOH"	152.95602
"815550"	318.1555	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M"	0
"983734"	299.13711	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-H2O-H"	-19.01839
"69790"	211.096390666667	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M-3H"	-3.021828
"511537"	317.148224	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M-3H"	-3.021828
"888248"	105.044557333333	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-3H"	-3.021828
"9010"	317.148224	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M-2H"	-2.014552
"451848"	476.225974	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M-2H"	-2.014552
"827467"	158.070474	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-2H"	-2.014552
"84178"	635.303724	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M-H"	-1.007276
"528108"	953.459224	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M-H"	-1.007276
"902632"	317.148224	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-H"	-1.007276
"51541"	652.330271	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M-2H+NH4"	16.019271
"491102"	970.485771	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M-2H+NH4"	16.019271
"874373"	334.174771	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-2H+NH4"	16.019271
"42273"	657.285666	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M-2H+Na"	20.974666
"486574"	975.441166	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M-2H+Na"	20.974666
"861095"	339.130166	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-2H+Na"	20.974666
"1629169"	339.130166	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Na-2H"	20.974666
"101322"	335.136563	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M-H+Cl"	33.962126
"540881"	494.214313	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M-H+Cl"	33.962126
"930022"	176.058813	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-H+Cl"	33.962126
"274048"	671.280402	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+Cl"	34.969402
"663187"	989.435902	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+Cl"	34.969402
"1281059"	353.124902	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Cl"	34.969402
"24709"	673.259606	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M-2H+K"	36.948606
"463177"	991.415106	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M-2H+K"	36.948606
"837701"	355.104106	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-2H+K"	36.948606
"1564469"	355.104106	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+K-2H"	36.948606
"951258"	363.153694	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-H+HCOOH"	44.998194
"371662"	681.309201	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+HCOOH-H"	44.998201
"353360"	695.324851	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+Hac-H"	59.013851
"1496727"	377.169351	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Hac-H"	59.013851
"967547"	385.135651	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-H+NaCOOH"	66.980151
"118642"	353.124902	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+2Cl"	69.938804
"559295"	512.202652	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+2Cl"	69.938804
"1035021"	194.047152	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2Cl"	69.938804
"1254236"	397.074385	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Br"	78.918885
"1307569"	399.130372	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Cl+HCOOH"	80.974872
"1323972"	421.112329	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Cl+NaCOOH"	102.956829
"912232"	431.141086	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M-H+CF3COOH"	112.985586
"1290280"	467.117764	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Cl+CF3COOH"	148.962264
"1377554"	283.142824	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H-2H2O"	-35.012676
"1384116"	301.1528	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H-H2O"	-17.0027
"285261"	637.318276	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+H"	1.007276
"684250"	955.473776	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+H"	1.007276
"1361693"	319.162776	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H"	1.007276
"133488"	319.162776	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+2H"	2.014552
"567948"	478.240526	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+2H"	2.014552
"1047321"	160.085026	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2H"	2.014552
"209753"	213.110942666667	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+3H"	3.021828
"651502"	319.162776	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+3H"	3.021828
"1173638"	107.059109333333	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+3H"	3.021828
"435091"	654.344823	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+NH4"	18.033823
"793900"	972.500323	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+NH4"	18.033823
"1688045"	336.189323	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+NH4"	18.033823
"340695"	327.6760495	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+H+NH4"	19.041099
"733116"	486.7537995	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+H+NH4"	19.041099
"1489125"	168.5982995	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H+NH4"	19.041099
"404523"	659.300218	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+Na"	22.989218
"763329"	977.455718	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+Na"	22.989218
"1607054"	341.144718	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Na"	22.989218
"319283"	330.153747	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+H+Na"	23.996494
"711704"	489.231497	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+H+Na"	23.996494
"1461999"	171.075997	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H+Na"	23.996494
"1053301"	114.386423333333	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2H+Na"	25.00377
"1265917"	351.188986	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+CH3OH+H"	33.033486
"386685"	675.274158	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+K"	38.963158
"746586"	993.429658	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+K"	38.963158
"1545359"	357.118658	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+K"	38.963158
"312018"	338.140717	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+H+K"	39.970434
"703708"	497.218467	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+H+K"	39.970434
"1452059"	179.062967	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H+K"	39.970434
"238472"	678.344826	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+ACN+H"	42.033826
"1213367"	360.189326	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+ACN+H"	42.033826
"1198346"	180.598301	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+ACN+2H"	43.041102
"193404"	681.28216	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+2Na-H"	44.97116
"631871"	999.43766	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+2Na-H"	44.97116
"1143400"	363.12666	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2Na-H"	44.97116
"183779"	341.144718	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+2Na"	45.978436
"623705"	500.222468	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+2Na"	45.978436
"1126117"	182.066968	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2Na"	45.978436
"1414063"	121.713737333333	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H+2Na"	46.985712
"1445581"	365.168246	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H+HCOOH"	47.012746
"230363"	346.17774	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+3H2O+2H"	56.04448
"1517330"	379.22029	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+IsoProp+H"	61.06479
"419572"	349.131688	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+Na+K"	61.952376
"779837"	508.209438	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+Na+K"	61.952376
"1675438"	190.053938	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Na+K"	61.952376
"254306"	700.326768	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+ACN+Na"	64.015768
"1227378"	382.171268	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+ACN+Na"	64.015768
"1721369"	382.194793	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+NH4+HCOOH"	64.039293
"1192192"	129.041051333333	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+3Na"	68.967654
"1663910"	387.150188	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Na+HCOOH"	68.994688
"171138"	713.23004	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+2K-H"	76.91904
"611795"	1031.38554	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+2K-H"	76.91904
"1097395"	395.07454	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2K-H"	76.91904
"148745"	357.118658	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"2M+2K"	77.926316
"589403"	516.196408	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"3M+2K"	77.926316
"1076101"	198.040908	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2K"	77.926316
"1108215"	397.089092	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2K+H"	78.933592
"1342414"	397.176707	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+DMSO+H"	79.021207
"1015319"	401.215876	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2ACN+H"	83.060376
"1533443"	402.209508	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+IsoProp+Na+H"	84.054008
"1002080"	201.111576	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+2ACN+2H"	84.067652
"1598770"	403.124128	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+K+HCOOH"	84.968628
"1425523"	433.155638	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+H+CF3COOH"	115.000138
"1155810"	221.624851	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+3ACN+2H"	125.094202
"1708642"	450.182185	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+NH4+CF3COOH"	132.026685
"1644293"	455.13758	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+Na+CF3COOH"	136.98208
"1586505"	471.11152	"C07571"	"Fluvoxamine"	"C15H21F3N2O2"	"318.1555"	"M+K+CF3COOH"	152.95602
"813595"	324.1638	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M"	0
"983844"	305.14541	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-H2O-H"	-19.01839
"73180"	215.101924	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M-3H"	-3.021828
"513834"	323.156524	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M-3H"	-3.021828
"885078"	107.047324	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-3H"	-3.021828
"5840"	323.156524	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M-2H"	-2.014552
"447585"	485.238424	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M-2H"	-2.014552
"824297"	161.074624	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-2H"	-2.014552
"83195"	647.320324	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M-H"	-1.007276
"524939"	971.484124	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M-H"	-1.007276
"898366"	323.156524	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-H"	-1.007276
"50558"	664.346871	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M-2H+NH4"	16.019271
"489026"	988.510671	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M-2H+NH4"	16.019271
"871203"	340.183071	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-2H+NH4"	16.019271
"36916"	669.302266	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M-2H+Na"	20.974666
"484132"	993.466066	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M-2H+Na"	20.974666
"857558"	345.138466	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-2H+Na"	20.974666
"1623810"	345.138466	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Na-2H"	20.974666
"101431"	341.144863	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M-H+Cl"	33.962126
"540991"	503.226763	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M-H+Cl"	33.962126
"930132"	179.062963	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-H+Cl"	33.962126
"267465"	683.297002	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+Cl"	34.969402
"664392"	1007.460802	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+Cl"	34.969402
"1273310"	359.133202	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Cl"	34.969402
"18259"	685.276206	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M-2H+K"	36.948606
"461101"	1009.440006	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M-2H+K"	36.948606
"843279"	361.112406	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-2H+K"	36.948606
"1566767"	361.112406	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+K-2H"	36.948606
"949183"	369.161994	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-H+HCOOH"	44.998194
"368493"	693.325801	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+HCOOH-H"	44.998201
"350919"	707.341451	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+Hac-H"	59.013851
"1495377"	383.177651	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Hac-H"	59.013851
"964742"	391.143951	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-H+NaCOOH"	66.980151
"122033"	359.133202	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+2Cl"	69.938804
"560499"	521.215102	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+2Cl"	69.938804
"1032580"	197.051302	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2Cl"	69.938804
"1253981"	403.082685	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Br"	78.918885
"1310595"	405.138672	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Cl+HCOOH"	80.974872
"1326634"	427.120629	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Cl+NaCOOH"	102.956829
"915868"	437.149386	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M-H+CF3COOH"	112.985586
"1291848"	473.126064	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Cl+CF3COOH"	148.962264
"1377663"	289.151124	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H-2H2O"	-35.012676
"1384226"	307.1611	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H-H2O"	-17.0027
"285007"	649.334876	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+H"	1.007276
"684360"	973.498676	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+H"	1.007276
"1363991"	325.171076	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H"	1.007276
"134691"	325.171076	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+2H"	2.014552
"570974"	487.252976	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+2H"	2.014552
"1047430"	163.089176	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2H"	2.014552
"208041"	217.116476	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+3H"	3.021828
"652706"	325.171076	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+3H"	3.021828
"1174113"	109.061876	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+3H"	3.021828
"435201"	666.361423	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+NH4"	18.033823
"791823"	990.525223	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+NH4"	18.033823
"1690338"	342.197623	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+NH4"	18.033823
"340806"	333.6843495	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+H+NH4"	19.041099
"734319"	495.7662495	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+H+NH4"	19.041099
"1485952"	171.6024495	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H+NH4"	19.041099
"404632"	671.316818	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+Na"	22.989218
"764534"	995.480618	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+Na"	22.989218
"1607166"	347.153018	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Na"	22.989218
"317207"	336.162047	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+H+Na"	23.996494
"709262"	498.243947	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+H+Na"	23.996494
"1461984"	174.080147	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H+Na"	23.996494
"1053776"	116.38919	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2H+Na"	25.00377
"1263841"	357.197286	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+CH3OH+H"	33.033486
"386795"	687.290758	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+K"	38.963158
"743412"	1011.454558	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+K"	38.963158
"1543283"	363.126958	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+K"	38.963158
"308114"	344.149017	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+H+K"	39.970434
"701630"	506.230917	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+H+K"	39.970434
"1448889"	182.067117	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H+K"	39.970434
"238582"	690.361426	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+ACN+H"	42.033826
"1211290"	366.197626	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+ACN+H"	42.033826
"1199545"	183.602451	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+ACN+2H"	43.041102
"192419"	693.29876	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+2Na-H"	44.97116
"631980"	1017.46256	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+2Na-H"	44.97116
"1140956"	369.13496	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2Na-H"	44.97116
"184981"	347.153018	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+2Na"	45.978436
"622720"	509.234918	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+2Na"	45.978436
"1128774"	185.071118	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2Na"	45.978436
"1412306"	123.716504	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H+2Na"	46.985712
"1439682"	371.176546	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H+HCOOH"	47.012746
"230473"	352.18604	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+3H2O+2H"	56.04448
"1511973"	385.22859	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+IsoProp+H"	61.06479
"417130"	355.139988	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+Na+K"	61.952376
"777031"	517.221888	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+Na+K"	61.952376
"1671174"	193.058088	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Na+K"	61.952376
"254415"	712.343368	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+ACN+Na"	64.015768
"1226760"	388.179568	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+ACN+Na"	64.015768
"1720386"	388.203093	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+NH4+HCOOH"	64.039293
"1192667"	131.043818	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+3Na"	68.967654
"1663291"	393.158488	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Na+HCOOH"	68.994688
"170882"	725.24664	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+2K-H"	76.91904
"608623"	1049.41044	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+2K-H"	76.91904
"1090945"	401.08284	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2K-H"	76.91904
"143751"	363.126958	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"2M+2K"	77.926316
"587323"	525.208858	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"3M+2K"	77.926316
"1072928"	201.045058	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2K"	77.926316
"1106138"	403.097392	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2K+H"	78.933592
"1341430"	403.185007	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+DMSO+H"	79.021207
"1016525"	407.224176	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2ACN+H"	83.060376
"1535378"	408.217808	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+IsoProp+Na+H"	84.054008
"1002558"	204.115726	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+2ACN+2H"	84.067652
"1599974"	409.132428	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+K+HCOOH"	84.968628
"1425633"	439.163938	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+H+CF3COOH"	115.000138
"1155920"	224.629001	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+3ACN+2H"	125.094202
"1709845"	456.190485	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+NH4+CF3COOH"	132.026685
"1644403"	461.14588	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+Na+CF3COOH"	136.98208
"1586615"	477.11982	"C07572"	"Citalopram"	"C20H21FN2O"	"324.1638"	"M+K+CF3COOH"	152.95602
"814798"	291.079	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M"	0
"983954"	272.06061	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-H2O-H"	-19.01839
"72197"	193.045390666667	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M-3H"	-3.021828
"512851"	290.071724	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M-3H"	-3.021828
"887374"	96.0190573333333	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-3H"	-3.021828
"9230"	290.071724	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M-2H"	-2.014552
"452068"	435.611224	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M-2H"	-2.014552
"824407"	144.532224	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-2H"	-2.014552
"86584"	581.150724	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M-H"	-1.007276
"526142"	872.229724	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M-H"	-1.007276
"898476"	290.071724	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-H"	-1.007276
"53947"	598.177271	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M-2H+NH4"	16.019271
"493508"	889.256271	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M-2H+NH4"	16.019271
"872406"	307.098271	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-2H+NH4"	16.019271
"37026"	603.132666	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M-2H+Na"	20.974666
"483512"	894.211666	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M-2H+Na"	20.974666
"858761"	312.053666	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-2H+Na"	20.974666
"1622826"	312.053666	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Na-2H"	20.974666
"100447"	308.060063	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M-H+Cl"	33.962126
"541102"	453.599563	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M-H+Cl"	33.962126
"935710"	162.520563	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-H+Cl"	33.962126
"277548"	617.127402	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+Cl"	34.969402
"667783"	908.206402	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+Cl"	34.969402
"1274718"	326.048402	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Cl"	34.969402
"18369"	619.106606	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M-2H+K"	36.948606
"465586"	910.185606	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M-2H+K"	36.948606
"843389"	328.027606	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-2H+K"	36.948606
"1566877"	328.027606	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+K-2H"	36.948606
"949292"	336.077194	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-H+HCOOH"	44.998194
"368603"	627.156201	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+HCOOH-H"	44.998201
"352853"	641.171851	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+Hac-H"	59.013851
"1500228"	350.092851	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Hac-H"	59.013851
"965946"	358.059151	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-H+NaCOOH"	66.980151
"118134"	326.048402	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+2Cl"	69.938804
"559517"	471.587902	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+2Cl"	69.938804
"1031963"	180.508902	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2Cl"	69.938804
"1248260"	369.997885	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Br"	78.918885
"1310342"	372.053872	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Cl+HCOOH"	80.974872
"1325651"	394.035829	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Cl+NaCOOH"	102.956829
"915616"	404.064586	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M-H+CF3COOH"	112.985586
"1290866"	440.041264	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Cl+CF3COOH"	148.962264
"1368296"	256.066324	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H-2H2O"	-35.012676
"1387984"	274.0763	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H-H2O"	-17.0027
"288766"	583.165276	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+H"	1.007276
"688483"	874.244276	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+H"	1.007276
"1363008"	292.086276	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H"	1.007276
"135168"	292.086276	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+2H"	2.014552
"573271"	437.625776	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+2H"	2.014552
"1047540"	146.546776	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2H"	2.014552
"208879"	195.059942666667	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+3H"	3.021828
"652452"	292.086276	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+3H"	3.021828
"1174952"	98.0336093333333	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+3H"	3.021828
"435311"	600.191823	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+NH4"	18.033823
"794121"	891.270823	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+NH4"	18.033823
"1689357"	309.112823	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+NH4"	18.033823
"342009"	300.5995495	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+H+NH4"	19.041099
"732243"	446.1390495	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+H+NH4"	19.041099
"1486062"	155.0600495	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H+NH4"	19.041099
"404742"	605.147218	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+Na"	22.989218
"763551"	896.226218	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+Na"	22.989218
"1606183"	314.068218	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Na"	22.989218
"315853"	303.077247	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+H+Na"	23.996494
"708760"	448.616747	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+H+Na"	23.996494
"1462339"	157.537747	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H+Na"	23.996494
"1053070"	105.360923333333	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2H+Na"	25.00377
"1265044"	324.112486	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+CH3OH+H"	33.033486
"381438"	621.121158	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+K"	38.963158
"741335"	912.200158	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+K"	38.963158
"1543393"	330.042158	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+K"	38.963158
"302753"	311.064217	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+H+K"	39.970434
"699554"	456.603717	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+H+K"	39.970434
"1447416"	165.524717	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H+K"	39.970434
"237599"	624.191826	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+ACN+H"	42.033826
"1210670"	333.112826	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+ACN+H"	42.033826
"1196377"	167.060051	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+ACN+2H"	43.041102
"191434"	627.12916	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+2Na-H"	44.97116
"630993"	918.20816	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+2Na-H"	44.97116
"1136691"	336.05016	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2Na-H"	44.97116
"186185"	314.068218	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+2Na"	45.978436
"624652"	459.607718	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+2Na"	45.978436
"1127791"	168.528718	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2Na"	45.978436
"1409864"	112.688237333333	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H+2Na"	46.985712
"1439792"	338.091746	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H+HCOOH"	47.012746
"229490"	319.10124	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+3H2O+2H"	56.04448
"1512083"	352.14379	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+IsoProp+H"	61.06479
"418333"	322.055188	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+Na+K"	61.952376
"777141"	467.594688	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+Na+K"	61.952376
"1674563"	176.515688	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Na+K"	61.952376
"256711"	646.173768	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+ACN+Na"	64.015768
"1229421"	355.094768	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+ACN+Na"	64.015768
"1719401"	355.118293	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+NH4+HCOOH"	64.039293
"1190225"	120.015551333333	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+3Na"	68.967654
"1661577"	360.073688	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Na+HCOOH"	68.994688
"167349"	659.07704	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+2K-H"	76.91904
"606547"	950.15604	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+2K-H"	76.91904
"1091055"	367.99804	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2K-H"	76.91904
"145683"	330.042158	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"2M+2K"	77.926316
"585242"	475.581658	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"3M+2K"	77.926316
"1070851"	184.502658	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2K"	77.926316
"1105151"	370.012592	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2K+H"	78.933592
"1339350"	370.100207	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+DMSO+H"	79.021207
"1014082"	374.139376	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2ACN+H"	83.060376
"1534760"	375.133008	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+IsoProp+Na+H"	84.054008
"1003396"	187.573326	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+2ACN+2H"	84.067652
"1597533"	376.047628	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+K+HCOOH"	84.968628
"1422463"	406.079138	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+H+CF3COOH"	115.000138
"1156030"	208.086601	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+3ACN+2H"	125.094202
"1709955"	423.105685	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+NH4+CF3COOH"	132.026685
"1641233"	428.06108	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+Na+CF3COOH"	136.98208
"1586725"	444.03502	"C07573"	"Prontosil;Sulfamidochrysoidine;Prontosil rubrum"	"C12H13N5O2S"	"291.079"	"M+K+CF3COOH"	152.95602
"817029"	533.9504	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M"	0
"984064"	514.93201	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-H2O-H"	-19.01839
"75587"	354.959657333333	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M-3H"	-3.021828
"512961"	532.943124	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M-3H"	-3.021828
"888578"	176.976190666667	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-3H"	-3.021828
"9340"	532.943124	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M-2H"	-2.014552
"452907"	799.918324	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M-2H"	-2.014552
"823423"	265.967924	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-2H"	-2.014552
"84507"	1066.893524	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M-H"	-1.007276
"528439"	1600.843924	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M-H"	-1.007276
"896884"	532.943124	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-H"	-1.007276
"54057"	1083.920071	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M-2H+NH4"	16.019271
"491432"	1617.870471	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M-2H+NH4"	16.019271
"872516"	549.969671	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-2H+NH4"	16.019271
"40416"	1088.875466	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M-2H+Na"	20.974666
"483622"	1622.825866	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M-2H+Na"	20.974666
"857778"	554.925066	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-2H+Na"	20.974666
"1622936"	554.925066	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Na-2H"	20.974666
"100557"	550.931463	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M-H+Cl"	33.962126
"542305"	817.906663	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M-H+Cl"	33.962126
"936913"	283.956263	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-H+Cl"	33.962126
"277658"	1102.870202	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+Cl"	34.969402
"666800"	1636.820602	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+Cl"	34.969402
"1273246"	568.919802	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Cl"	34.969402
"16289"	1104.849406	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M-2H+K"	36.948606
"459133"	1638.799806	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M-2H+K"	36.948606
"843499"	570.899006	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-2H+K"	36.948606
"1568080"	570.899006	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+K-2H"	36.948606
"951588"	578.948594	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-H+HCOOH"	44.998194
"369077"	1112.899001	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+HCOOH-H"	44.998201
"350411"	1126.914651	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+Hac-H"	59.013851
"1498879"	592.964251	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Hac-H"	59.013851
"965327"	600.930551	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-H+NaCOOH"	66.980151
"115692"	568.919802	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+2Cl"	69.938804
"558534"	835.895002	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+2Cl"	69.938804
"1029520"	301.944602	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2Cl"	69.938804
"1248005"	612.869285	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Br"	78.918885
"1312638"	614.925272	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Cl+HCOOH"	80.974872
"1326854"	636.907229	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Cl+NaCOOH"	102.956829
"913538"	646.935986	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M-H+CF3COOH"	112.985586
"1289154"	682.912664	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Cl+CF3COOH"	148.962264
"1372056"	498.937724	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H-2H2O"	-35.012676
"1385178"	516.9477	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H-H2O"	-17.0027
"288875"	1068.908076	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+H"	1.007276
"688229"	1602.858476	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+H"	1.007276
"1363849"	534.957676	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H"	1.007276
"136007"	534.957676	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+2H"	2.014552
"571191"	801.932876	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+2H"	2.014552
"1046550"	267.982476	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2H"	2.014552
"208985"	356.974209333333	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+3H"	3.021828
"649640"	534.957676	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+3H"	3.021828
"1172145"	178.990742666667	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+3H"	3.021828
"429948"	1085.934623	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+NH4"	18.033823
"794231"	1619.885023	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+NH4"	18.033823
"1690558"	551.984223	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+NH4"	18.033823
"338839"	543.4709495	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+H+NH4"	19.041099
"730166"	810.4461495	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+H+NH4"	19.041099
"1486172"	276.4957495	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H+NH4"	19.041099
"401572"	1090.890018	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+Na"	22.989218
"763661"	1624.840418	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+Na"	22.989218
"1606657"	556.939618	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Na"	22.989218
"315477"	545.948647	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+H+Na"	23.996494
"709843"	812.923847	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+H+Na"	23.996494
"1462570"	278.973447	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H+Na"	23.996494
"1053261"	186.318056666667	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2H+Na"	25.00377
"1261875"	566.983886	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+CH3OH+H"	33.033486
"381548"	1106.863958	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+K"	38.963158
"742540"	1640.814358	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+K"	38.963158
"1546783"	572.913558	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+K"	38.963158
"305052"	553.935617	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+H+K"	39.970434
"701850"	820.910817	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+H+K"	39.970434
"1451295"	286.960417	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H+K"	39.970434
"242084"	1109.934626	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+ACN+H"	42.033826
"1212604"	575.984226	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+ACN+H"	42.033826
"1200863"	288.495751	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+ACN+2H"	43.041102
"192640"	1112.87196	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+2Na-H"	44.97116
"632201"	1646.82236	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+2Na-H"	44.97116
"1142269"	578.92156	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2Na-H"	44.97116
"186295"	556.939618	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+2Na"	45.978436
"624033"	823.914818	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+2Na"	45.978436
"1128629"	289.964418	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2Na"	45.978436
"1411067"	193.645370666667	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H+2Na"	46.985712
"1439902"	580.963146	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H+HCOOH"	47.012746
"228506"	561.97264	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+3H2O+2H"	56.04448
"1513286"	595.01519	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+IsoProp+H"	61.06479
"419536"	564.926588	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+Na+K"	61.952376
"780530"	831.901788	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+Na+K"	61.952376
"1675767"	297.951388	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Na+K"	61.952376
"259007"	1131.916568	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+ACN+Na"	64.015768
"1230623"	597.966168	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+ACN+Na"	64.015768
"1715862"	597.989693	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+NH4+HCOOH"	64.039293
"1181216"	200.972684666667	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+3Na"	68.967654
"1660228"	602.945088	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Na+HCOOH"	68.994688
"167823"	1144.81984	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+2K-H"	76.91904
"607386"	1678.77024	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+2K-H"	76.91904
"1090072"	610.86944	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2K-H"	76.91904
"143607"	572.913558	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"2M+2K"	77.926316
"583894"	839.888758	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"3M+2K"	77.926316
"1073145"	305.938358	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2K"	77.926316
"1105261"	612.883992	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2K+H"	78.933592
"1340554"	612.971607	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+DMSO+H"	79.021207
"1015649"	617.010776	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2ACN+H"	83.060376
"1535234"	618.004408	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+IsoProp+Na+H"	84.054008
"999862"	309.009026	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+2ACN+2H"	84.067652
"1599100"	618.919028	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+K+HCOOH"	84.968628
"1423666"	648.950538	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+H+CF3COOH"	115.000138
"1157234"	329.522301	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+3ACN+2H"	125.094202
"1707879"	665.977085	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+NH4+CF3COOH"	132.026685
"1641343"	670.93248	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+Na+CF3COOH"	136.98208
"1586835"	686.90642	"C07574"	"Tartrazine;Acid Yellow 23;Food yellow No4"	"C16H9N4O9S23Na"	"533.9504"	"M+K+CF3COOH"	152.95602
"816109"	243.1987	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M"	0
"986361"	224.18031	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-H2O-H"	-19.01839
"76790"	161.125190666667	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M-3H"	-3.021828
"516351"	242.191424	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M-3H"	-3.021828
"891968"	80.0589573333333	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-3H"	-3.021828
"14917"	242.191424	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M-2H"	-2.014552
"453383"	363.790774	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M-2H"	-2.014552
"824626"	120.592074	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-2H"	-2.014552
"84617"	485.390124	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M-H"	-1.007276
"529643"	728.588824	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M-H"	-1.007276
"898698"	242.191424	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-H"	-1.007276
"53074"	502.416671	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M-2H+NH4"	16.019271
"492636"	745.615371	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M-2H+NH4"	16.019271
"872626"	259.217971	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-2H+NH4"	16.019271
"40526"	507.372066	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M-2H+Na"	20.974666
"483368"	750.570766	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M-2H+Na"	20.974666
"857888"	264.173366	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-2H+Na"	20.974666
"1623046"	264.173366	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Na-2H"	20.974666
"101761"	260.179763	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M-H+Cl"	33.962126
"542415"	381.779113	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M-H+Cl"	33.962126
"937023"	138.580413	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-H+Cl"	33.962126
"277768"	521.366802	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+Cl"	34.969402
"668005"	764.565502	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+Cl"	34.969402
"1278219"	278.168102	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Cl"	34.969402
"18590"	523.346006	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M-2H+K"	36.948606
"462523"	766.544706	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M-2H+K"	36.948606
"845796"	280.147306	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-2H+K"	36.948606
"1563815"	280.147306	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+K-2H"	36.948606
"949511"	288.196894	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-H+HCOOH"	44.998194
"371010"	531.395601	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+HCOOH-H"	44.998201
"353803"	545.411251	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+Hac-H"	59.013851
"1500449"	302.212551	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Hac-H"	59.013851
"962887"	310.178851	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-H+NaCOOH"	66.980151
"116168"	278.168102	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+2Cl"	69.938804
"558644"	399.767452	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+2Cl"	69.938804
"1028538"	156.568752	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2Cl"	69.938804
"1247023"	322.117585	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Br"	78.918885
"1312749"	324.173572	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Cl+HCOOH"	80.974872
"1328057"	346.155529	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Cl+NaCOOH"	102.956829
"913284"	356.184286	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M-H+CF3COOH"	112.985586
"1289265"	392.160964	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Cl+CF3COOH"	148.962264
"1371802"	208.186024	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H-2H2O"	-35.012676
"1384924"	226.196	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H-H2O"	-17.0027
"288985"	487.404676	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+H"	1.007276
"690041"	730.603376	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+H"	1.007276
"1363595"	244.205976	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H"	1.007276
"138305"	244.205976	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+2H"	2.014552
"573126"	365.805326	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+2H"	2.014552
"1047026"	122.606626	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2H"	2.014552
"209095"	163.139742666667	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+3H"	3.021828
"649750"	244.205976	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+3H"	3.021828
"1174809"	82.0735093333333	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+3H"	3.021828
"431153"	504.431223	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+NH4"	18.033823
"793242"	747.629923	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+NH4"	18.033823
"1693951"	261.232523	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+NH4"	18.033823
"336760"	252.7192495	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+H+NH4"	19.041099
"728087"	374.3185995	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+H+NH4"	19.041099
"1480814"	131.1198995	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H+NH4"	19.041099
"401682"	509.386618	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+Na"	22.989218
"759394"	752.585318	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+Na"	22.989218
"1606767"	266.187918	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Na"	22.989218
"316806"	255.196947	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+H+Na"	23.996494
"710319"	376.796297	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+H+Na"	23.996494
"1461462"	133.597597	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H+Na"	23.996494
"1053616"	89.4008233333333	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2H+Na"	25.00377
"1260159"	276.232186	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+CH3OH+H"	33.033486
"380919"	525.360558	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+K"	38.963158
"742651"	768.559258	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+K"	38.963158
"1545799"	282.161858	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+K"	38.963158
"305161"	263.183917	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+H+K"	39.970434
"698679"	384.783267	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+H+K"	39.970434
"1449216"	141.584567	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H+K"	39.970434
"240005"	528.431226	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+ACN+H"	42.033826
"1210891"	285.232526	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+ACN+H"	42.033826
"1195018"	143.119901	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+ACN+2H"	43.041102
"193843"	531.36856	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+2Na-H"	44.97116
"631338"	774.56726	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+2Na-H"	44.97116
"1136911"	288.16986	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2Na-H"	44.97116
"186766"	266.187918	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+2Na"	45.978436
"626331"	387.787268	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+2Na"	45.978436
"1128740"	144.588568	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2Na"	45.978436
"1413728"	96.7281373333333	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H+2Na"	46.985712
"1440012"	290.211446	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H+HCOOH"	47.012746
"228615"	271.22094	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+3H2O+2H"	56.04448
"1513396"	304.26349	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+IsoProp+H"	61.06479
"411988"	274.174888	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+Na+K"	61.952376
"774077"	395.774238	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+Na+K"	61.952376
"1674783"	152.575538	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Na+K"	61.952376
"261306"	550.413168	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+ACN+Na"	64.015768
"1232922"	307.214468	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+ACN+Na"	64.015768
"1720711"	307.237993	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+NH4+HCOOH"	64.039293
"1181691"	104.055451333333	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+3Na"	68.967654
"1661431"	312.193388	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Na+HCOOH"	68.994688
"169027"	563.31644	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+2K-H"	76.91904
"608589"	806.51514	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+2K-H"	76.91904
"1092369"	320.11774	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2K-H"	76.91904
"144811"	282.161858	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"2M+2K"	77.926316
"587649"	403.761208	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"3M+2K"	77.926316
"1075442"	160.562508	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2K"	77.926316
"1105369"	322.132292	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2K+H"	78.933592
"1342850"	322.219907	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+DMSO+H"	79.021207
"1012475"	326.259076	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2ACN+H"	83.060376
"1532791"	327.252708	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+IsoProp+Na+H"	84.054008
"1002886"	163.633176	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+2ACN+2H"	84.067652
"1598847"	328.167328	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+K+HCOOH"	84.968628
"1423777"	358.198838	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+H+CF3COOH"	115.000138
"1157344"	184.146451	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+3ACN+2H"	125.094202
"1710176"	375.225385	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+NH4+CF3COOH"	132.026685
"1643640"	380.18078	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+Na+CF3COOH"	136.98208
"1586945"	396.15472	"C07575"	"Phencyclidine"	"C17H25N"	"243.1987"	"M+K+CF3COOH"	152.95602
"814762"	284.0926	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M"	0
"986471"	265.07421	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-H2O-H"	-19.01839
"73620"	188.387790666667	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M-3H"	-3.021828
"515368"	283.085324	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M-3H"	-3.021828
"888798"	93.6902573333333	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-3H"	-3.021828
"9560"	283.085324	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M-2H"	-2.014552
"445838"	425.131624	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M-2H"	-2.014552
"823643"	141.039024	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-2H"	-2.014552
"81448"	567.177924	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M-H"	-1.007276
"524286"	851.270524	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M-H"	-1.007276
"897714"	283.085324	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-H"	-1.007276
"53184"	584.204471	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M-2H+NH4"	16.019271
"492746"	868.297071	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M-2H+NH4"	16.019271
"871643"	300.111871	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-2H+NH4"	16.019271
"40636"	589.159866	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M-2H+Na"	20.974666
"483842"	873.252466	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M-2H+Na"	20.974666
"856905"	305.067266	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-2H+Na"	20.974666
"1622063"	305.067266	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Na-2H"	20.974666
"102965"	301.073663	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M-H+Cl"	33.962126
"537058"	443.119963	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M-H+Cl"	33.962126
"930573"	159.027363	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-H+Cl"	33.962126
"271318"	603.154602	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+Cl"	34.969402
"664835"	887.247202	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+Cl"	34.969402
"1280516"	319.062002	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Cl"	34.969402
"21980"	605.133806	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M-2H+K"	36.948606
"462633"	889.226406	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M-2H+K"	36.948606
"838252"	321.041206	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-2H+K"	36.948606
"1560646"	321.041206	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+K-2H"	36.948606
"944150"	329.090794	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-H+HCOOH"	44.998194
"365652"	613.183401	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+HCOOH-H"	44.998201
"350633"	627.199051	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+Hac-H"	59.013851
"1498372"	343.106451	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Hac-H"	59.013851
"961174"	351.072751	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-H+NaCOOH"	66.980151
"116278"	319.062002	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+2Cl"	69.938804
"558754"	461.108302	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+2Cl"	69.938804
"1028647"	177.015702	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2Cl"	69.938804
"1246403"	363.011485	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Br"	78.918885
"1309579"	365.067472	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Cl+HCOOH"	80.974872
"1323794"	387.049429	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Cl+NaCOOH"	102.956829
"911370"	397.078186	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M-H+CF3COOH"	112.985586
"1289375"	433.054864	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Cl+CF3COOH"	148.962264
"1371912"	249.079924	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H-2H2O"	-35.012676
"1388315"	267.0899	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H-H2O"	-17.0027
"288002"	569.192476	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+H"	1.007276
"690273"	853.285076	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+H"	1.007276
"1362612"	285.099876	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H"	1.007276
"139145"	285.099876	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+2H"	2.014552
"573600"	427.146176	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+2H"	2.014552
"1046771"	143.053576	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2H"	2.014552
"208112"	190.402342666667	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+3H"	3.021828
"649860"	285.099876	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+3H"	3.021828
"1171272"	95.7048093333333	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+3H"	3.021828
"427982"	586.219023	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+NH4"	18.033823
"793352"	870.311623	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+NH4"	18.033823
"1692965"	302.126423	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+NH4"	18.033823
"336870"	293.6131495	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+H+NH4"	19.041099
"728197"	435.6594495	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+H+NH4"	19.041099
"1480924"	151.5668495	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H+NH4"	19.041099
"401792"	591.174418	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+Na"	22.989218
"759504"	875.267018	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+Na"	22.989218
"1606877"	307.081818	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Na"	22.989218
"315093"	296.090847	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+H+Na"	23.996494
"707878"	438.137147	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+H+Na"	23.996494
"1464615"	154.044547	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H+Na"	23.996494
"1063692"	103.032123333333	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2H+Na"	25.00377
"1263183"	317.126086	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+CH3OH+H"	33.033486
"377869"	607.148358	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+K"	38.963158
"740931"	891.240958	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+K"	38.963158
"1541163"	323.055758	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+K"	38.963158
"300160"	304.077817	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+H+K"	39.970434
"694412"	446.124117	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+H+K"	39.970434
"1445744"	162.031517	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H+K"	39.970434
"237196"	610.219026	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+ACN+H"	42.033826
"1210269"	326.126426	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+ACN+H"	42.033826
"1196708"	163.566851	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+ACN+2H"	43.041102
"189822"	613.15636	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+2Na-H"	44.97116
"628805"	897.24896	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+2Na-H"	44.97116
"1131909"	329.06376	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2Na-H"	44.97116
"173377"	307.081818	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+2Na"	45.978436
"615739"	449.128118	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+2Na"	45.978436
"1128486"	165.035518	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2Na"	45.978436
"1409095"	110.359437333333	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H+2Na"	46.985712
"1440118"	331.105346	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H+HCOOH"	47.012746
"227630"	312.11484	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+3H2O+2H"	56.04448
"1512413"	345.15739	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+IsoProp+H"	61.06479
"413192"	315.068788	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+Na+K"	61.952376
"775281"	457.115088	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+Na+K"	61.952376
"1672705"	173.022488	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Na+K"	61.952376
"254849"	632.200968	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+ACN+Na"	64.015768
"1227924"	348.108368	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+ACN+Na"	64.015768
"1715353"	348.131893	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+NH4+HCOOH"	64.039293
"1181801"	117.686751333333	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+3Na"	68.967654
"1653880"	353.087288	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Na+HCOOH"	68.994688
"162931"	645.10424	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+2K-H"	76.91904
"605772"	929.19684	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+2K-H"	76.91904
"1093570"	361.01164	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2K-H"	76.91904
"150385"	323.055758	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"2M+2K"	77.926316
"589946"	465.102058	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"3M+2K"	77.926316
"1073363"	181.009458	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2K"	77.926316
"1104384"	363.026192	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2K+H"	78.933592
"1338582"	363.113807	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+DMSO+H"	79.021207
"1006014"	367.152976	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2ACN+H"	83.060376
"1524501"	368.146608	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+IsoProp+Na+H"	84.054008
"990384"	184.080126	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+2ACN+2H"	84.067652
"1587647"	369.061228	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+K+HCOOH"	84.968628
"1417318"	399.092738	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+H+CF3COOH"	115.000138
"1153077"	204.593401	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+3ACN+2H"	125.094202
"1700438"	416.119285	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+NH4+CF3COOH"	132.026685
"1638277"	421.07468	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+Na+CF3COOH"	136.98208
"1577211"	437.04862	"C07576"	"Psilocybin;Psilocybine"	"C12H17N2O4P"	"284.0926"	"M+K+CF3COOH"	152.95602
"813049"	193.1103	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M"	0
"984394"	174.09191	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-H2O-H"	-19.01839
"70450"	127.732924	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M-3H"	-3.021828
"515478"	192.103024	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M-3H"	-3.021828
"888908"	63.362824	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-3H"	-3.021828
"7482"	192.103024	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M-2H"	-2.014552
"443761"	288.658174	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M-2H"	-2.014552
"823753"	95.547874	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-2H"	-2.014552
"85931"	385.213324	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M-H"	-1.007276
"524395"	578.323624	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M-H"	-1.007276
"897824"	192.103024	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-H"	-1.007276
"55481"	402.239871	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M-2H+NH4"	16.019271
"496136"	595.350171	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M-2H+NH4"	16.019271
"873575"	209.129571	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-2H+NH4"	16.019271
"40746"	407.195266	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M-2H+Na"	20.974666
"484680"	600.305566	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M-2H+Na"	20.974666
"855921"	214.084966	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-2H+Na"	20.974666
"1623266"	214.084966	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Na-2H"	20.974666
"103075"	210.091363	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M-H+Cl"	33.962126
"537168"	306.646513	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M-H+Cl"	33.962126
"930683"	113.536213	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-H+Cl"	33.962126
"271428"	421.190002	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+Cl"	34.969402
"667131"	614.300302	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+Cl"	34.969402
"1281719"	228.079702	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Cl"	34.969402
"22090"	423.169206	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M-2H+K"	36.948606
"462743"	616.279506	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M-2H+K"	36.948606
"840546"	230.058906	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-2H+K"	36.948606
"1560753"	230.058906	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+K-2H"	36.948606
"944625"	238.108494	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-H+HCOOH"	44.998194
"363574"	431.218801	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+HCOOH-H"	44.998201
"351837"	445.234451	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+Hac-H"	59.013851
"1497389"	252.124151	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Hac-H"	59.013851
"962377"	260.090451	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-H+NaCOOH"	66.980151
"112743"	228.079702	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+2Cl"	69.938804
"553761"	324.634852	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+2Cl"	69.938804
"1025476"	131.524552	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2Cl"	69.938804
"1245054"	272.029185	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Br"	78.918885
"1309689"	274.085172	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Cl+HCOOH"	80.974872
"1323904"	296.067129	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Cl+NaCOOH"	102.956829
"913502"	306.095886	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M-H+CF3COOH"	112.985586
"1290214"	342.072564	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Cl+CF3COOH"	148.962264
"1369835"	158.097624	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H-2H2O"	-35.012676
"1384051"	176.1076	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H-H2O"	-17.0027
"285926"	387.227876	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+H"	1.007276
"688924"	580.338176	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+H"	1.007276
"1364543"	194.117576	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H"	1.007276
"137797"	194.117576	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+2H"	2.014552
"573710"	290.672726	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+2H"	2.014552
"1039348"	97.562426	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2H"	2.014552
"206763"	129.747476	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+3H"	3.021828
"647783"	194.117576	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+3H"	3.021828
"1171382"	65.377376	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+3H"	3.021828
"435748"	404.254423	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+NH4"	18.033823
"794557"	597.364723	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+NH4"	18.033823
"1693075"	211.144123	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+NH4"	18.033823
"341353"	202.6308495	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+H+NH4"	19.041099
"732682"	299.1859995	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+H+NH4"	19.041099
"1484317"	106.0756995	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H+NH4"	19.041099
"399715"	409.209818	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+Na"	22.989218
"758524"	602.320118	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+Na"	22.989218
"1607719"	216.099518	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Na"	22.989218
"317754"	205.108547	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+H+Na"	23.996494
"709447"	301.663697	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+H+Na"	23.996494
"1464360"	108.553397	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H+Na"	23.996494
"1061615"	72.70469	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2H+Na"	25.00377
"1263293"	226.143786	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+CH3OH+H"	33.033486
"382961"	425.183758	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+K"	38.963158
"746143"	618.294058	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+K"	38.963158
"1543094"	232.073458	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+K"	38.963158
"299906"	213.095517	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+H+K"	39.970434
"693428"	309.650667	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+H+K"	39.970434
"1448705"	116.540367	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H+K"	39.970434
"238763"	428.254426	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+ACN+H"	42.033826
"1210095"	235.144126	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+ACN+H"	42.033826
"1194313"	118.075701	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+ACN+2H"	43.041102
"189932"	431.19176	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+2Na-H"	44.97116
"628715"	624.30206	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+2Na-H"	44.97116
"1132024"	238.08146	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2Na-H"	44.97116
"173613"	216.099518	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+2Na"	45.978436
"616701"	312.654668	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+2Na"	45.978436
"1129208"	119.544368	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2Na"	45.978436
"1412732"	80.032004	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H+2Na"	46.985712
"1443267"	240.123046	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H+HCOOH"	47.012746
"229927"	221.13254	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+3H2O+2H"	56.04448
"1516897"	254.17509	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+IsoProp+H"	61.06479
"417674"	224.086488	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+Na+K"	61.952376
"776484"	320.641638	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+Na+K"	61.952376
"1675001"	127.531338	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Na+K"	61.952376
"256052"	450.236368	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+ACN+Na"	64.015768
"1229857"	257.126068	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+ACN+Na"	64.015768
"1715463"	257.149593	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+NH4+HCOOH"	64.039293
"1181911"	87.359318	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+3Na"	68.967654
"1652896"	262.104988	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Na+HCOOH"	68.994688
"163041"	463.13964	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+2K-H"	76.91904
"605882"	656.24994	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+2K-H"	76.91904
"1093316"	270.02934	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2K-H"	76.91904
"151587"	232.073458	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"2M+2K"	77.926316
"591150"	328.628608	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"3M+2K"	77.926316
"1074566"	135.518308	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2K"	77.926316
"1103401"	272.043892	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2K+H"	78.933592
"1338692"	272.131507	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+DMSO+H"	79.021207
"1006125"	276.170676	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2ACN+H"	83.060376
"1524491"	277.164308	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+IsoProp+Na+H"	84.054008
"990253"	138.588976	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+2ACN+2H"	84.067652
"1590673"	278.078928	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+K+HCOOH"	84.968628
"1418521"	308.110438	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+H+CF3COOH"	115.000138
"1154280"	159.102251	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+3ACN+2H"	125.094202
"1700548"	325.136985	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+NH4+CF3COOH"	132.026685
"1638387"	330.09238	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+Na+CF3COOH"	136.98208
"1577321"	346.06632	"C07577"	"34-Methylenedioxymethamphetamine;N-Methyl-34-methylenedioxyamphetamine;MDMA"	"C11H15NO2"	"193.1103"	"M+K+CF3COOH"	152.95602
"814252"	314.2246	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M"	0
"984504"	295.20621	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"67279"	208.475790666667	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"514494"	313.217324	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"889018"	103.734257333333	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"7592"	313.217324	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"443871"	470.329624	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"823862"	156.105024	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"86040"	627.441924	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"524505"	941.666524	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"897934"	313.217324	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"50122"	644.468471	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"495153"	958.693071	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"871862"	330.243871	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"41949"	649.423866	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"482239"	963.648466	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"853844"	335.199266	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1622282"	335.199266	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"106465"	331.205663	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"535210"	488.317963	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"937353"	174.093363	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"272631"	663.418602	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"668334"	977.643202	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1278549"	349.194002	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"22200"	665.397806	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"462853"	979.622406	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"842843"	351.173206	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1564146"	351.173206	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"946926"	359.222794	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"368059"	673.447401	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"351947"	687.463051	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1495673"	373.238451	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"962851"	381.204751	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"112123"	349.194002	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"550831"	506.306302	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1023034"	192.081702	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1248445"	393.143485	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1307976"	395.199472	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1324011"	417.181429	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"913249"	427.210186	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1290077"	463.186864	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1367229"	279.211924	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1388900"	297.2219	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"286397"	629.456476	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"689398"	943.681076	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1365750"	315.231876	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"137177"	315.231876	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"573820"	472.344176	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1042618"	158.119576	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"207602"	210.490342666667	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"651174"	315.231876	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1172585"	105.748809333333	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"434765"	646.483023	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"795760"	960.707623	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1693185"	332.258423	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"338182"	323.7451495	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"731698"	480.8574495	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1487705"	166.6328495	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"405292"	651.438418	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"760820"	965.663018	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1608922"	337.213818	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"317136"	326.222847	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"714662"	483.335147	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1470668"	169.110547	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1060632"	113.076123333333	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1265590"	347.258086	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"383071"	667.412358	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"745160"	981.636958	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1543933"	353.187758	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"299410"	334.209817	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"693902"	491.322117	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1450638"	177.097517	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"241425"	670.483026	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1217416"	356.258426	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1195104"	178.632851	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"189185"	673.42036	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"628790"	987.64496	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1132617"	359.19576	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"173842"	337.213818	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"615717"	494.326118	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1128952"	180.101518	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1413084"	120.403437333333	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1443619"	361.237346	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"230036"	342.24684	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1514818"	375.28939	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"413410"	345.200788	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"775500"	502.313088	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1675111"	188.088488	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"256162"	692.464968	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1233247"	378.240368	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1714479"	378.263893	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1182021"	127.730751333333	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1653006"	383.219288	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"163150"	705.36824	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"605992"	1019.59284	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1094518"	391.14364	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"151697"	353.187758	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"590166"	510.300058	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1071396"	196.075458	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1102418"	393.158192	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1336857"	393.245807	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1006110"	397.284976	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1524277"	398.278608	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"990283"	199.146126	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1587503"	399.193228	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1418630"	429.224738	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1155483"	219.659401	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1701752"	446.251285	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1640684"	451.20668	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1574151"	467.18062	"C07578"	"Cannabidiol;CBD"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"814362"	310.1933	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M"	0
"984614"	291.17491	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-H2O-H"	-19.01839
"70670"	205.788257333333	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M-3H"	-3.021828
"516791"	309.186024	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M-3H"	-3.021828
"889128"	102.390490666667	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-3H"	-3.021828
"9889"	309.186024	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M-2H"	-2.014552
"441795"	464.282674	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M-2H"	-2.014552
"822879"	154.089374	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-2H"	-2.014552
"85057"	619.379324	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M-H"	-1.007276
"524615"	929.572624	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M-H"	-1.007276
"898044"	309.186024	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-H"	-1.007276
"49260"	636.405871	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M-2H+NH4"	16.019271
"495263"	946.599171	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M-2H+NH4"	16.019271
"871972"	326.212571	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-2H+NH4"	16.019271
"38779"	641.361266	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M-2H+Na"	20.974666
"482713"	951.554566	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M-2H+Na"	20.974666
"853954"	331.167966	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-2H+Na"	20.974666
"1623486"	331.167966	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Na-2H"	20.974666
"103295"	327.174363	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M-H+Cl"	33.962126
"536293"	482.271013	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M-H+Cl"	33.962126
"934183"	172.077713	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-H+Cl"	33.962126
"274928"	655.356002	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+Cl"	34.969402
"668444"	965.549302	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+Cl"	34.969402
"1285219"	345.162702	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Cl"	34.969402
"24497"	657.335206	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M-2H+K"	36.948606
"466243"	967.528506	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M-2H+K"	36.948606
"842953"	347.141906	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-2H+K"	36.948606
"1564256"	347.141906	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+K-2H"	36.948606
"945943"	355.191494	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-H+HCOOH"	44.998194
"368169"	665.384801	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+HCOOH-H"	44.998201
"349869"	679.400451	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+Hac-H"	59.013851
"1494319"	369.207151	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Hac-H"	59.013851
"959071"	377.173451	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-H+NaCOOH"	66.980151
"113691"	345.162702	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+2Cl"	69.938804
"551184"	500.259352	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+2Cl"	69.938804
"1022776"	190.066052	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2Cl"	69.938804
"1245639"	389.112185	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Br"	78.918885
"1308083"	391.168172	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Cl+HCOOH"	80.974872
"1324487"	413.150129	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Cl+NaCOOH"	102.956829
"915549"	423.178886	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M-H+CF3COOH"	112.985586
"1292985"	459.155564	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Cl+CF3COOH"	148.962264
"1374426"	275.180624	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H-2H2O"	-35.012676
"1390102"	293.1906	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H-H2O"	-17.0027
"287601"	621.393876	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+H"	1.007276
"688051"	931.587176	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+H"	1.007276
"1365497"	311.200576	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H"	1.007276
"137288"	311.200576	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+2H"	2.014552
"575024"	466.297226	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+2H"	2.014552
"1047102"	156.103926	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2H"	2.014552
"210629"	207.802809333333	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+3H"	3.021828
"651283"	311.200576	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+3H"	3.021828
"1172695"	104.405042666667	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+3H"	3.021828
"434875"	638.420423	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+NH4"	18.033823
"794777"	948.613723	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+NH4"	18.033823
"1693295"	328.227123	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+NH4"	18.033823
"340479"	319.7138495	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+H+NH4"	19.041099
"733995"	474.8104995	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+H+NH4"	19.041099
"1488909"	164.6171995	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H+NH4"	19.041099
"405402"	643.375818	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+Na"	22.989218
"764210"	953.569118	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+Na"	22.989218
"1607937"	333.182518	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Na"	22.989218
"316882"	322.191547	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+H+Na"	23.996494
"714772"	477.288197	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+H+Na"	23.996494
"1467498"	167.094897	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H+Na"	23.996494
"1060742"	111.732356666667	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2H+Na"	25.00377
"1262420"	343.226786	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+CH3OH+H"	33.033486
"383181"	659.349758	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+K"	38.963158
"744176"	969.543058	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+K"	38.963158
"1544042"	349.156458	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+K"	38.963158
"303406"	330.178517	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+H+K"	39.970434
"693648"	485.275167	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+H+K"	39.970434
"1451841"	175.081867	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H+K"	39.970434
"241535"	662.420426	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+ACN+H"	42.033826
"1217523"	352.227126	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+ACN+H"	42.033826
"1202501"	176.617201	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+ACN+2H"	43.041102
"192094"	665.35776	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+2Na-H"	44.97116
"631653"	975.55106	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+2Na-H"	44.97116
"1134185"	355.16446	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2Na-H"	44.97116
"175290"	333.182518	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+2Na"	45.978436
"620199"	488.279168	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+2Na"	45.978436
"1129911"	178.085868	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2Na"	45.978436
"1409423"	119.059670666667	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H+2Na"	46.985712
"1440446"	357.206046	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H+HCOOH"	47.012746
"229049"	338.21554	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+3H2O+2H"	56.04448
"1513835"	371.25809	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+IsoProp+H"	61.06479
"417894"	341.169488	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+Na+K"	61.952376
"771357"	496.266138	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+Na+K"	61.952376
"1673035"	186.072838	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Na+K"	61.952376
"255179"	684.402368	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+ACN+Na"	64.015768
"1230077"	374.209068	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+ACN+Na"	64.015768
"1713738"	374.232593	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+NH4+HCOOH"	64.039293
"1182131"	126.386984666667	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+3Na"	68.967654
"1653116"	379.187988	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Na+HCOOH"	68.994688
"159979"	697.30564	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+2K-H"	76.91904
"606102"	1007.49894	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+2K-H"	76.91904
"1094989"	387.11234	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2K-H"	76.91904
"151443"	349.156458	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"2M+2K"	77.926316
"589183"	504.253108	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"3M+2K"	77.926316
"1071506"	194.059808	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2K"	77.926316
"1100825"	389.126892	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2K+H"	78.933592
"1336725"	389.214507	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+DMSO+H"	79.021207
"1006461"	393.253676	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2ACN+H"	83.060376
"1525559"	394.247308	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+IsoProp+Na+H"	84.054008
"990066"	197.130476	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+2ACN+2H"	84.067652
"1587613"	395.161928	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+K+HCOOH"	84.968628
"1414366"	425.193438	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+H+CF3COOH"	115.000138
"1155593"	217.643751	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+3ACN+2H"	125.094202
"1700768"	442.219985	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+NH4+CF3COOH"	132.026685
"1639701"	447.17538	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+Na+CF3COOH"	136.98208
"1574261"	463.14932	"C07580"	"Cannabinol"	"C21H26O2"	"310.1933"	"M+K+CF3COOH"	152.95602
"811192"	132.0436	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M"	0
"981444"	113.02521	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-H2O-H"	-19.01839
"69687"	87.0217906666667	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M-3H"	-3.021828
"513621"	131.036324	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M-3H"	-3.021828
"888145"	43.0072573333333	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-3H"	-3.021828
"9999"	131.036324	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M-2H"	-2.014552
"442998"	197.058124	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M-2H"	-2.014552
"821896"	65.014524	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-2H"	-2.014552
"84074"	263.079924	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M-H"	-1.007276
"524725"	395.123524	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M-H"	-1.007276
"900341"	131.036324	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-H"	-1.007276
"49249"	280.106471	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M-2H+NH4"	16.019271
"495373"	412.150071	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M-2H+NH4"	16.019271
"875728"	148.062871	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-2H+NH4"	16.019271
"41076"	285.061866	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M-2H+Na"	20.974666
"483920"	417.105466	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M-2H+Na"	20.974666
"860261"	153.018266	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-2H+Na"	20.974666
"1630525"	153.018266	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Na-2H"	20.974666
"106691"	149.024663	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M-H+Cl"	33.962126
"547345"	215.046463	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M-H+Cl"	33.962126
"939766"	83.002863	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-H+Cl"	33.962126
"278688"	299.056602	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+Cl"	34.969402
"670014"	431.100202	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+Cl"	34.969402
"1284238"	167.013002	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Cl"	34.969402
"25701"	301.035806	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M-2H+K"	36.948606
"464167"	433.079406	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M-2H+K"	36.948606
"843063"	168.992206	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-2H+K"	36.948606
"1568014"	168.992206	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+K-2H"	36.948606
"954434"	177.041794	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-H+HCOOH"	44.998194
"371557"	309.085401	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+HCOOH-H"	44.998201
"352168"	323.101051	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+Hac-H"	59.013851
"1498811"	191.057451	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Hac-H"	59.013851
"967447"	199.023751	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-H+NaCOOH"	66.980151
"115263"	167.013002	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+2Cl"	69.938804
"557009"	233.034802	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+2Cl"	69.938804
"1023618"	100.991202	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2Cl"	69.938804
"1243925"	210.962485	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Br"	78.918885
"1310385"	213.018472	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Cl+HCOOH"	80.974872
"1326422"	235.000429	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Cl+NaCOOH"	102.956829
"924043"	245.029186	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M-H+CF3COOH"	112.985586
"1296378"	281.005864	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Cl+CF3COOH"	148.962264
"1372718"	97.030924	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H-2H2O"	-35.012676
"1388757"	115.0409	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H-H2O"	-17.0027
"290629"	265.094476	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+H"	1.007276
"688525"	397.138076	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+H"	1.007276
"1366539"	133.050876	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H"	1.007276
"139951"	133.050876	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+2H"	2.014552
"579509"	199.072676	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+2H"	2.014552
"1043932"	67.029076	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2H"	2.014552
"212926"	89.0363426666667	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+3H"	3.021828
"651394"	133.050876	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+3H"	3.021828
"1171712"	45.0218093333333	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+3H"	3.021828
"434985"	282.121023	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+NH4"	18.033823
"794887"	414.164623	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+NH4"	18.033823
"1689031"	150.077423	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+NH4"	18.033823
"339496"	141.5641495	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+H+NH4"	19.041099
"733012"	207.5859495	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+H+NH4"	19.041099
"1490113"	75.5423495	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H+NH4"	19.041099
"406607"	287.076418	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+Na"	22.989218
"766508"	419.120018	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+Na"	22.989218
"1614605"	155.032818	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Na"	22.989218
"320271"	144.041847	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+H+Na"	23.996494
"713787"	210.063647	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+H+Na"	23.996494
"1469792"	78.020047	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H+Na"	23.996494
"1059759"	52.3491233333333	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2H+Na"	25.00377
"1265809"	165.077086	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+CH3OH+H"	33.033486
"385479"	303.050358	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+K"	38.963158
"747568"	435.093958	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+K"	38.963158
"1549620"	171.006758	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+K"	38.963158
"305703"	152.028817	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+H+K"	39.970434
"692055"	218.050617	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+H+K"	39.970434
"1448671"	86.007017	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H+K"	39.970434
"244925"	306.121026	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+ACN+H"	42.033826
"1223101"	174.077426	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+ACN+H"	42.033826
"1204798"	87.542351	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+ACN+2H"	43.041102
"192206"	309.05836	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+2Na-H"	44.97116
"632857"	441.10196	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+2Na-H"	44.97116
"1133082"	177.01476	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2Na-H"	44.97116
"175279"	155.032818	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+2Na"	45.978436
"618121"	221.054618	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+2Na"	45.978436
"1126009"	89.011018	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2Na"	45.978436
"1411720"	59.6764373333333	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H+2Na"	46.985712
"1440556"	179.056346	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H+HCOOH"	47.012746
"233899"	160.06584	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+3H2O+2H"	56.04448
"1513944"	193.10839	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+IsoProp+H"	61.06479
"414723"	163.019788	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+Na+K"	61.952376
"771100"	229.041588	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+Na+K"	61.952376
"1673145"	96.997988	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Na+K"	61.952376
"253224"	328.102968	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+ACN+Na"	64.015768
"1230187"	196.059368	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+ACN+Na"	64.015768
"1714699"	196.082893	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+NH4+HCOOH"	64.039293
"1185521"	67.0037513333333	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+3Na"	68.967654
"1654319"	201.038288	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Na+HCOOH"	68.994688
"160089"	341.00624	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+2K-H"	76.91904
"604025"	473.04984	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+2K-H"	76.91904
"1095099"	208.96264	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2K-H"	76.91904
"149730"	171.006758	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"2M+2K"	77.926316
"587104"	237.028558	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"3M+2K"	77.926316
"1069300"	104.984958	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2K"	77.926316
"1100687"	210.977192	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2K+H"	78.933592
"1337314"	211.064807	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+DMSO+H"	79.021207
"1007547"	215.103976	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2ACN+H"	83.060376
"1525792"	216.097608	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+IsoProp+Na+H"	84.054008
"991149"	108.055626	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+2ACN+2H"	84.067652
"1588447"	217.012228	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+K+HCOOH"	84.968628
"1414590"	247.043738	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+H+CF3COOH"	115.000138
"1154610"	128.568901	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+3ACN+2H"	125.094202
"1697961"	264.070285	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+NH4+CF3COOH"	132.026685
"1635800"	269.02568	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+Na+CF3COOH"	136.98208
"1571332"	284.99962	"C07581"	"Pteridine"	"C6H4N4"	"132.0436"	"M+K+CF3COOH"	152.95602
"817021"	312.0971	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M"	0
"989209"	293.07871	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-H2O-H"	-19.01839
"75264"	207.057457333333	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M-3H"	-3.021828
"513731"	311.089824	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M-3H"	-3.021828
"890441"	103.025090666667	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-3H"	-3.021828
"11932"	311.089824	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M-2H"	-2.014552
"451491"	467.138374	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M-2H"	-2.014552
"823098"	155.041274	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-2H"	-2.014552
"86370"	623.186924	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M-H"	-1.007276
"529209"	935.284024	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M-H"	-1.007276
"896152"	311.089824	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-H"	-1.007276
"47410"	640.213471	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M-2H+NH4"	16.019271
"491107"	952.310571	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M-2H+NH4"	16.019271
"875109"	328.116371	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-2H+NH4"	16.019271
"38999"	645.168866	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M-2H+Na"	20.974666
"481840"	957.265966	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M-2H+Na"	20.974666
"855268"	333.071766	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-2H+Na"	20.974666
"1628081"	333.071766	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Na-2H"	20.974666
"106800"	329.078163	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M-H+Cl"	33.962126
"547455"	485.126713	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M-H+Cl"	33.962126
"939876"	173.029613	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-H+Cl"	33.962126
"276975"	659.163602	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+Cl"	34.969402
"669031"	971.260702	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+Cl"	34.969402
"1284712"	347.066502	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Cl"	34.969402
"25811"	661.142806	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M-2H+K"	36.948606
"468651"	973.239906	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M-2H+K"	36.948606
"846089"	349.045706	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-2H+K"	36.948606
"1567394"	349.045706	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+K-2H"	36.948606
"954180"	357.095294	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-H+HCOOH"	44.998194
"371667"	669.192401	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+HCOOH-H"	44.998201
"357745"	683.208051	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+Hac-H"	59.013851
"1500015"	371.110951	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Hac-H"	59.013851
"968651"	379.077251	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-H+NaCOOH"	66.980151
"119746"	347.066502	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+2Cl"	69.938804
"556026"	503.115052	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+2Cl"	69.938804
"1027014"	191.017952	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2Cl"	69.938804
"1247685"	391.015985	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Br"	78.918885
"1315234"	393.071972	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Cl+HCOOH"	80.974872
"1332730"	415.053929	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Cl+NaCOOH"	102.956829
"921966"	425.082686	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M-H+CF3COOH"	112.985586
"1301592"	461.059364	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Cl+CF3COOH"	148.962264
"1379754"	277.084424	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H-2H2O"	-35.012676
"1397252"	295.0944	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H-H2O"	-17.0027
"295114"	625.201476	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+H"	1.007276
"690947"	937.298576	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+H"	1.007276
"1366445"	313.104376	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H"	1.007276
"140429"	313.104376	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+2H"	2.014552
"579257"	469.152926	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+2H"	2.014552
"1047323"	157.055826	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2H"	2.014552
"214131"	209.072009333333	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+3H"	3.021828
"653691"	313.104376	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+3H"	3.021828
"1171823"	105.039642666667	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+3H"	3.021828
"435095"	642.228023	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+NH4"	18.033823
"797184"	954.325123	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+NH4"	18.033823
"1695702"	330.130923	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+NH4"	18.033823
"345075"	321.6176495	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+H+NH4"	19.041099
"736770"	477.6661995	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+H+NH4"	19.041099
"1492731"	165.5690995	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H+NH4"	19.041099
"408529"	647.183418	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+Na"	22.989218
"769874"	959.280518	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+Na"	22.989218
"1617269"	335.086318	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Na"	22.989218
"323661"	324.095347	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+H+Na"	23.996494
"718271"	480.143897	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+H+Na"	23.996494
"1472091"	168.046797	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H+Na"	23.996494
"1062055"	112.366956666667	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2H+Na"	25.00377
"1267013"	345.130586	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+CH3OH+H"	33.033486
"386682"	663.157358	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+K"	38.963158
"749865"	975.254458	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+K"	38.963158
"1548638"	351.060258	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+K"	38.963158
"310187"	332.082317	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+H+K"	39.970434
"694962"	488.130867	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+H+K"	39.970434
"1453155"	176.033767	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H+K"	39.970434
"243943"	666.228026	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+ACN+H"	42.033826
"1219932"	354.130926	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+ACN+H"	42.033826
"1206005"	177.569101	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+ACN+2H"	43.041102
"199968"	669.16536	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+2Na-H"	44.97116
"636248"	981.26246	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+2Na-H"	44.97116
"1138662"	357.06826	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2Na-H"	44.97116
"180856"	335.086318	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+2Na"	45.978436
"621511"	491.134868	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+2Na"	45.978436
"1130822"	179.037768	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2Na"	45.978436
"1411830"	119.694270666667	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H+2Na"	46.985712
"1440666"	359.109846	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H+HCOOH"	47.012746
"232551"	340.11934	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+3H2O+2H"	56.04448
"1518065"	373.16189	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+IsoProp+H"	61.06479
"412647"	343.073288	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+Na+K"	61.952376
"778746"	499.121838	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+Na+K"	61.952376
"1671068"	187.024738	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Na+K"	61.952376
"254307"	688.209968	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+ACN+Na"	64.015768
"1230297"	376.112868	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+ACN+Na"	64.015768
"1716630"	376.136393	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+NH4+HCOOH"	64.039293
"1185631"	127.021584666667	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+3Na"	68.967654
"1654430"	381.091788	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Na+HCOOH"	68.994688
"160563"	701.11324	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+2K-H"	76.91904
"607415"	1013.21034	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+2K-H"	76.91904
"1094116"	389.01614	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2K-H"	76.91904
"147653"	351.060258	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"2M+2K"	77.926316
"587214"	507.108808	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"3M+2K"	77.926316
"1070632"	195.011708	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2K"	77.926316
"1103105"	391.030692	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2K+H"	78.933592
"1337788"	391.118307	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+DMSO+H"	79.021207
"1007292"	395.157476	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2ACN+H"	83.060376
"1526877"	396.151108	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+IsoProp+Na+H"	84.054008
"992595"	198.082376	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+2ACN+2H"	84.067652
"1590016"	397.065728	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+K+HCOOH"	84.968628
"1414944"	427.097238	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+H+CF3COOH"	115.000138
"1156906"	218.595651	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+3ACN+2H"	125.094202
"1699895"	444.123785	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+NH4+CF3COOH"	132.026685
"1635910"	449.07918	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+Na+CF3COOH"	136.98208
"1574481"	465.05312	"C07582"	"Pteroic acid"	"C14H12N6O3"	"312.0971"	"M+K+CF3COOH"	152.95602
"808130"	222.0681	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M"	0
"986039"	203.04971	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-H2O-H"	-19.01839
"69907"	147.038124	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M-3H"	-3.021828
"510561"	221.060824	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M-3H"	-3.021828
"888365"	73.015424	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-3H"	-3.021828
"11678"	221.060824	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M-2H"	-2.014552
"445405"	332.094874	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M-2H"	-2.014552
"821022"	110.026774	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-2H"	-2.014552
"84293"	443.128924	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M-H"	-1.007276
"523852"	665.197024	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M-H"	-1.007276
"896061"	221.060824	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-H"	-1.007276
"47222"	460.155471	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M-2H+NH4"	16.019271
"490124"	682.223571	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M-2H+NH4"	16.019271
"866834"	238.087371	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-2H+NH4"	16.019271
"33641"	465.110866	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M-2H+Na"	20.974666
"479763"	687.178966	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M-2H+Na"	20.974666
"853191"	243.042766	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-2H+Na"	20.974666
"1627099"	243.042766	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Na-2H"	20.974666
"104358"	239.049163	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M-H+Cl"	33.962126
"543919"	350.083213	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M-H+Cl"	33.962126
"936704"	128.015113	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-H+Cl"	33.962126
"276356"	479.105602	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+Cl"	34.969402
"668776"	701.173702	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+Cl"	34.969402
"1278261"	257.037502	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Cl"	34.969402
"23005"	481.084806	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M-2H+K"	36.948606
"462564"	703.152906	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M-2H+K"	36.948606
"838908"	259.016706	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-2H+K"	36.948606
"1564588"	259.016706	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+K-2H"	36.948606
"952468"	267.066294	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-H+HCOOH"	44.998194
"371778"	489.134401	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+HCOOH-H"	44.998201
"357855"	503.150051	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+Hac-H"	59.013851
"1501220"	281.081951	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Hac-H"	59.013851
"966575"	289.048251	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-H+NaCOOH"	66.980151
"118763"	257.037502	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+2Cl"	69.938804
"559417"	368.071552	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+2Cl"	69.938804
"1027124"	146.003452	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2Cl"	69.938804
"1243784"	300.986985	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Br"	78.918885
"1315708"	303.042972	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Cl+HCOOH"	80.974872
"1332111"	325.024929	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Cl+NaCOOH"	102.956829
"923899"	335.053686	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M-H+CF3COOH"	112.985586
"1299878"	371.030364	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Cl+CF3COOH"	148.962264
"1381567"	187.055424	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H-2H2O"	-35.012676
"1394445"	205.0654	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H-H2O"	-17.0027
"295953"	445.143476	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+H"	1.007276
"689475"	667.211576	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+H"	1.007276
"1365097"	223.075376	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H"	1.007276
"140174"	223.075376	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+2H"	2.014552
"578274"	334.109426	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+2H"	2.014552
"1050351"	112.041326	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2H"	2.014552
"215337"	149.052676	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+3H"	3.021828
"657083"	223.075376	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+3H"	3.021828
"1171933"	75.029976	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+3H"	3.021828
"434112"	462.170023	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+NH4"	18.033823
"794013"	684.238123	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+NH4"	18.033823
"1694719"	240.101923	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+NH4"	18.033823
"341904"	231.5886495	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+H+NH4"	19.041099
"735057"	342.6226995	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+H+NH4"	19.041099
"1488147"	120.5545995	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H+NH4"	19.041099
"407800"	467.125418	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+Na"	22.989218
"764540"	689.193518	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+Na"	22.989218
"1613734"	245.057318	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Na"	22.989218
"319400"	234.066347	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+H+Na"	23.996494
"716194"	345.100397	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+H+Na"	23.996494
"1473297"	123.032297	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H+Na"	23.996494
"1063261"	82.35729	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2H+Na"	25.00377
"1267126"	255.101586	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+CH3OH+H"	33.033486
"384606"	483.099358	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+K"	38.963158
"748881"	705.167458	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+K"	38.963158
"1544375"	261.031258	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+K"	38.963158
"310297"	242.053317	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+H+K"	39.970434
"700537"	353.087367	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+H+K"	39.970434
"1452171"	131.019267	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H+K"	39.970434
"241868"	486.170026	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+ACN+H"	42.033826
"1216763"	264.101926	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+ACN+H"	42.033826
"1201739"	132.554601	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+ACN+2H"	43.041102
"196799"	489.10736	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+2Na-H"	44.97116
"636357"	711.17546	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+2Na-H"	44.97116
"1138774"	267.03926	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2Na-H"	44.97116
"180968"	245.057318	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+2Na"	45.978436
"622717"	356.091368	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+2Na"	45.978436
"1130851"	134.023268	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2Na"	45.978436
"1410847"	89.684604	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H+2Na"	46.985712
"1443330"	269.080846	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H+HCOOH"	47.012746
"234120"	250.09034	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+3H2O+2H"	56.04448
"1518175"	283.13289	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+IsoProp+H"	61.06479
"412758"	253.044288	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+Na+K"	61.952376
"779222"	364.078338	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+Na+K"	61.952376
"1670085"	142.010238	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Na+K"	61.952376
"258791"	508.151968	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+ACN+Na"	64.015768
"1229313"	286.083868	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+ACN+Na"	64.015768
"1717105"	286.107393	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+NH4+HCOOH"	64.039293
"1183554"	97.011918	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+3Na"	68.967654
"1655633"	291.062788	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Na+HCOOH"	68.994688
"161403"	521.05524	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+2K-H"	76.91904
"607525"	743.12334	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+2K-H"	76.91904
"1093134"	298.98714	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2K-H"	76.91904
"147763"	261.031258	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"2M+2K"	77.926316
"584043"	372.065308	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"3M+2K"	77.926316
"1069649"	149.997208	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2K"	77.926316
"1101881"	301.001692	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2K+H"	78.933592
"1336320"	301.089307	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+DMSO+H"	79.021207
"1006553"	305.128476	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2ACN+H"	83.060376
"1524354"	306.122108	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+IsoProp+Na+H"	84.054008
"991491"	153.067876	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+2ACN+2H"	84.067652
"1588183"	307.036728	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+K+HCOOH"	84.968628
"1414257"	337.068238	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+H+CF3COOH"	115.000138
"1147293"	173.581151	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+3ACN+2H"	125.094202
"1697205"	354.094785	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+NH4+CF3COOH"	132.026685
"1638937"	359.05018	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+Na+CF3COOH"	136.98208
"1572765"	375.02412	"C07584"	"Phenindione;2-Phenyl-13-indandione"	"C15H10O2"	"222.0681"	"M+K+CF3COOH"	152.95602
"808240"	179.0695	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M"	0
"986149"	160.05111	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-H2O-H"	-19.01839
"70017"	118.372390666667	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M-3H"	-3.021828
"510671"	178.062224	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M-3H"	-3.021828
"888475"	58.6825573333333	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-3H"	-3.021828
"11423"	178.062224	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M-2H"	-2.014552
"445515"	267.596974	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M-2H"	-2.014552
"821132"	88.527474	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-2H"	-2.014552
"84403"	357.131724	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M-H"	-1.007276
"523962"	536.201224	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M-H"	-1.007276
"899576"	178.062224	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-H"	-1.007276
"47746"	374.158271	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M-2H+NH4"	16.019271
"491328"	553.227771	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M-2H+NH4"	16.019271
"865851"	195.088771	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-2H+NH4"	16.019271
"33751"	379.113666	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M-2H+Na"	20.974666
"478780"	558.183166	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M-2H+Na"	20.974666
"853301"	200.044166	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-2H+Na"	20.974666
"1629761"	200.044166	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Na-2H"	20.974666
"104832"	196.050563	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M-H+Cl"	33.962126
"547309"	285.585313	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M-H+Cl"	33.962126
"942287"	106.515813	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-H+Cl"	33.962126
"281451"	393.108402	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+Cl"	34.969402
"673870"	572.177902	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+Cl"	34.969402
"1283839"	214.038902	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Cl"	34.969402
"26395"	395.087606	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M-2H+K"	36.948606
"465954"	574.157106	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M-2H+K"	36.948606
"841934"	216.018106	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-2H+K"	36.948606
"1567979"	216.018106	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+K-2H"	36.948606
"952577"	224.067694	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-H+HCOOH"	44.998194
"372981"	403.137201	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+HCOOH-H"	44.998201
"356508"	417.152851	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+Hac-H"	59.013851
"1502060"	238.083351	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Hac-H"	59.013851
"967779"	246.049651	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-H+NaCOOH"	66.980151
"116688"	214.038902	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+2Cl"	69.938804
"560258"	303.573652	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+2Cl"	69.938804
"1025410"	124.504152	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2Cl"	69.938804
"1246810"	257.988385	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Br"	78.918885
"1317641"	260.044372	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Cl+HCOOH"	80.974872
"1331128"	282.026329	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Cl+NaCOOH"	102.956829
"924373"	292.055086	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M-H+CF3COOH"	112.985586
"1298895"	328.031764	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Cl+CF3COOH"	148.962264
"1380337"	144.056824	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H-2H2O"	-35.012676
"1395281"	162.0668	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H-H2O"	-17.0027
"293146"	359.146276	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+H"	1.007276
"689581"	538.215776	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+H"	1.007276
"1366057"	180.076776	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H"	1.007276
"141245"	180.076776	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+2H"	2.014552
"580573"	269.611526	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+2H"	2.014552
"1050827"	90.542026	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2H"	2.014552
"214356"	120.386942666667	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+3H"	3.021828
"653916"	180.076776	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+3H"	3.021828
"1172043"	60.6971093333333	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+3H"	3.021828
"433128"	376.172823	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+NH4"	18.033823
"794124"	555.242323	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+NH4"	18.033823
"1691548"	197.103323	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+NH4"	18.033823
"340919"	188.5900495	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+H+NH4"	19.041099
"734437"	278.1247995	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+H+NH4"	19.041099
"1490080"	99.0552995	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H+NH4"	19.041099
"408033"	381.128218	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+Na"	22.989218
"764651"	560.197718	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+Na"	22.989218
"1617005"	202.058718	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Na"	22.989218
"319508"	191.067747	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+H+Na"	23.996494
"713024"	280.602497	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+H+Na"	23.996494
"1472313"	101.532997	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H+Na"	23.996494
"1063371"	68.0244233333333	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2H+Na"	25.00377
"1267235"	212.102986	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+CH3OH+H"	33.033486
"384717"	397.102158	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+K"	38.963158
"750085"	576.171658	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+K"	38.963158
"1546671"	218.032658	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+K"	38.963158
"311499"	199.054717	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+H+K"	39.970434
"702835"	288.589467	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+H+K"	39.970434
"1453375"	109.519967	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H+K"	39.970434
"244164"	400.172826	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+ACN+H"	42.033826
"1220153"	221.103326	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+ACN+H"	42.033826
"1202946"	111.055301	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+ACN+2H"	43.041102
"196910"	403.11016	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+2Na-H"	44.97116
"637561"	582.17966	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+2Na-H"	44.97116
"1138884"	224.04066	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2Na-H"	44.97116
"182171"	202.058718	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+2Na"	45.978436
"620641"	291.593468	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+2Na"	45.978436
"1130839"	112.523968	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2Na"	45.978436
"1407676"	75.3517373333333	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H+2Na"	46.985712
"1444900"	226.082246	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H+HCOOH"	47.012746
"234595"	207.09174	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+3H2O+2H"	56.04448
"1516463"	240.13429	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+IsoProp+H"	61.06479
"420520"	210.045688	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+Na+K"	61.952376
"777143"	299.580438	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+Na+K"	61.952376
"1669101"	120.510938	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Na+K"	61.952376
"253798"	422.154768	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+ACN+Na"	64.015768
"1230516"	243.085268	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+ACN+Na"	64.015768
"1718308"	243.108793	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+NH4+HCOOH"	64.039293
"1182570"	82.6790513333333	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+3Na"	68.967654
"1657928"	248.064188	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Na+HCOOH"	68.994688
"162606"	435.05804	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+2K-H"	76.91904
"602167"	614.12754	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+2K-H"	76.91904
"1087776"	255.98854	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2K-H"	76.91904
"144593"	218.032658	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"2M+2K"	77.926316
"583060"	307.567408	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"3M+2K"	77.926316
"1068741"	128.497908	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2K"	77.926316
"1101382"	258.003092	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2K+H"	78.933592
"1336188"	258.090707	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+DMSO+H"	79.021207
"1006176"	262.129876	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2ACN+H"	83.060376
"1524665"	263.123508	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+IsoProp+Na+H"	84.054008
"990624"	131.568576	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+2ACN+2H"	84.067652
"1590233"	264.038128	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+K+HCOOH"	84.968628
"1414431"	294.069638	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+H+CF3COOH"	115.000138
"1147767"	152.081851	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+3ACN+2H"	125.094202
"1697315"	311.096185	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+NH4+CF3COOH"	132.026685
"1636860"	316.05158	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+Na+CF3COOH"	136.98208
"1572511"	332.02552	"C07585"	"N-Acetylisoniazid;(N)1-Acetylisoniazid"	"C8H9N3O2"	"179.0695"	"M+K+CF3COOH"	152.95602
"814914"	360.1128	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M"	0
"984073"	341.09441	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-H2O-H"	-19.01839
"75597"	239.067924	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M-3H"	-3.021828
"516250"	359.105524	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M-3H"	-3.021828
"889679"	119.030324	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-3H"	-3.021828
"10441"	359.105524	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M-2H"	-2.014552
"447815"	539.161924	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M-2H"	-2.014552
"822335"	179.049124	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-2H"	-2.014552
"84515"	719.218324	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M-H"	-1.007276
"525167"	1079.331124	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M-H"	-1.007276
"898595"	359.105524	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-H"	-1.007276
"57346"	736.244871	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M-2H+NH4"	16.019271
"489618"	1096.357671	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M-2H+NH4"	16.019271
"865716"	376.132071	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-2H+NH4"	16.019271
"32768"	741.200266	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M-2H+Na"	20.974666
"482171"	1101.313066	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M-2H+Na"	20.974666
"858880"	381.087466	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-2H+Na"	20.974666
"1631329"	381.087466	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Na-2H"	20.974666
"103848"	377.093863	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M-H+Cl"	33.962126
"545596"	557.150263	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M-H+Cl"	33.962126
"942355"	197.037463	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-H+Cl"	33.962126
"281194"	755.195002	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+Cl"	34.969402
"674099"	1115.307802	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+Cl"	34.969402
"1283585"	395.082202	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Cl"	34.969402
"25412"	757.174206	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M-2H+K"	36.948606
"463877"	1117.287006	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M-2H+K"	36.948606
"840951"	397.061406	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-2H+K"	36.948606
"1566995"	397.061406	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+K-2H"	36.948606
"951594"	405.110994	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-H+HCOOH"	44.998194
"366162"	765.223801	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+HCOOH-H"	44.998201
"354790"	779.239451	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+Hac-H"	59.013851
"1505086"	419.126651	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Hac-H"	59.013851
"972628"	427.092951	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-H+NaCOOH"	66.980151
"118985"	395.082202	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+2Cl"	69.938804
"560732"	575.138602	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+2Cl"	69.938804
"1026251"	215.025802	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2Cl"	69.938804
"1246922"	439.031685	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Br"	78.918885
"1315929"	441.087672	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Cl+HCOOH"	80.974872
"1332332"	463.069629	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Cl+NaCOOH"	102.956829
"924484"	473.098386	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M-H+CF3COOH"	112.985586
"1299735"	509.075064	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Cl+CF3COOH"	148.962264
"1378262"	325.100124	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H-2H2O"	-35.012676
"1394298"	343.1101	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H-H2O"	-17.0027
"292892"	721.232876	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+H"	1.007276
"690055"	1081.345676	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+H"	1.007276
"1367013"	361.120076	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H"	1.007276
"141194"	361.120076	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+2H"	2.014552
"581364"	541.176476	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+2H"	2.014552
"1050937"	181.063676	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2H"	2.014552
"215559"	241.082476	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+3H"	3.021828
"658395"	361.120076	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+3H"	3.021828
"1169965"	121.044876	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+3H"	3.021828
"428865"	738.259423	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+NH4"	18.033823
"793138"	1098.372223	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+NH4"	18.033823
"1689472"	378.146623	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+NH4"	18.033823
"341031"	369.6333495	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+H+NH4"	19.041099
"735275"	549.6897495	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+H+NH4"	19.041099
"1490190"	189.5769495	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H+NH4"	19.041099
"407414"	743.214818	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+Na"	22.989218
"764761"	1103.327618	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+Na"	22.989218
"1617601"	383.102018	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Na"	22.989218
"318525"	372.111047	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+H+Na"	23.996494
"714229"	552.167447	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+H+Na"	23.996494
"1470236"	192.054647	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H+Na"	23.996494
"1061295"	128.37219	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2H+Na"	25.00377
"1267348"	393.146286	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+CH3OH+H"	33.033486
"388108"	759.188758	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+K"	38.963158
"750196"	1119.301558	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+K"	38.963158
"1547877"	399.075958	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+K"	38.963158
"307241"	380.098017	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+H+K"	39.970434
"702945"	560.154417	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+H+K"	39.970434
"1455672"	200.041617	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H+K"	39.970434
"247555"	762.259426	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+ACN+H"	42.033826
"1221723"	402.146626	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+ACN+H"	42.033826
"1204150"	201.576951	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+ACN+2H"	43.041102
"195928"	765.19676	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+2Na-H"	44.97116
"638766"	1125.30956	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+2Na-H"	44.97116
"1141177"	405.08396	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2Na-H"	44.97116
"181555"	383.102018	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+2Na"	45.978436
"616745"	563.158418	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+2Na"	45.978436
"1125356"	203.045618	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2Na"	45.978436
"1411066"	135.699504	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H+2Na"	46.985712
"1445217"	407.125546	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H+HCOOH"	47.012746
"234339"	388.13504	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+3H2O+2H"	56.04448
"1518761"	421.17759	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+IsoProp+H"	61.06479
"418445"	391.088988	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+Na+K"	61.952376
"781994"	571.145388	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+Na+K"	61.952376
"1670306"	211.032588	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Na+K"	61.952376
"255001"	784.241368	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+ACN+Na"	64.015768
"1229533"	424.128568	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+ACN+Na"	64.015768
"1717326"	424.152093	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+NH4+HCOOH"	64.039293
"1187052"	143.026818	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+3Na"	68.967654
"1658037"	429.107488	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Na+HCOOH"	68.994688
"165996"	797.14464	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+2K-H"	76.91904
"604835"	1157.25744	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+2K-H"	76.91904
"1093358"	437.03184	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2K-H"	76.91904
"150173"	399.075958	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"2M+2K"	77.926316
"585358"	579.132358	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"3M+2K"	77.926316
"1069381"	219.019558	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2K"	77.926316
"1100524"	439.046392	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2K+H"	78.933592
"1337394"	439.134007	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+DMSO+H"	79.021207
"1010173"	443.173176	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2ACN+H"	83.060376
"1526235"	444.166808	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+IsoProp+Na+H"	84.054008
"991467"	222.090226	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+2ACN+2H"	84.067652
"1587674"	445.081428	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+K+HCOOH"	84.968628
"1415036"	475.112938	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+H+CF3COOH"	115.000138
"1153956"	242.603501	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+3ACN+2H"	125.094202
"1698402"	492.139485	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+NH4+CF3COOH"	132.026685
"1636970"	497.09488	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+Na+CF3COOH"	136.98208
"1572258"	513.06882	"C07586"	"Fenofibrate"	"C20H21ClO4"	"360.1128"	"M+K+CF3COOH"	152.95602
"816118"	160.0136	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M"	0
"985278"	140.99521	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-H2O-H"	-19.01839
"71334"	105.668457333333	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M-3H"	-3.021828
"517454"	159.006324	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M-3H"	-3.021828
"893070"	52.3305906666667	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-3H"	-3.021828
"11646"	159.006324	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M-2H"	-2.014552
"453392"	239.013124	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M-2H"	-2.014552
"829006"	78.999524	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-2H"	-2.014552
"90822"	319.019924	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M-H"	-1.007276
"533299"	479.033524	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M-H"	-1.007276
"903081"	159.006324	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-H"	-1.007276
"58549"	336.046471	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M-2H+NH4"	16.019271
"495925"	496.060071	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M-2H+NH4"	16.019271
"868258"	176.032871	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-2H+NH4"	16.019271
"35066"	341.001866	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M-2H+Na"	20.974666
"487084"	501.015466	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M-2H+Na"	20.974666
"861179"	180.988266	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-2H+Na"	20.974666
"1631804"	180.988266	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Na-2H"	20.974666
"108940"	176.994663	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M-H+Cl"	33.962126
"549526"	257.001463	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M-H+Cl"	33.962126
"941896"	96.987863	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-H+Cl"	33.962126
"280816"	354.996602	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+Cl"	34.969402
"674210"	515.010202	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+Cl"	34.969402
"1285884"	194.983002	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Cl"	34.969402
"28438"	356.975806	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M-2H+K"	36.948606
"465810"	516.989406	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M-2H+K"	36.948606
"840333"	196.962206	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-2H+K"	36.948606
"1559810"	196.962206	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+K-2H"	36.948606
"951704"	205.011794	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-H+HCOOH"	44.998194
"368825"	365.025401	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+HCOOH-H"	44.998201
"357090"	379.041051	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+Hac-H"	59.013851
"1504830"	219.027451	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Hac-H"	59.013851
"974035"	226.993751	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-H+NaCOOH"	66.980151
"119458"	194.983002	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+2Cl"	69.938804
"562664"	274.989802	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+2Cl"	69.938804
"1032922"	114.976202	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2Cl"	69.938804
"1250314"	238.932485	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Br"	78.918885
"1315676"	240.988472	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Cl+HCOOH"	80.974872
"1332080"	262.970429	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Cl+NaCOOH"	102.956829
"924596"	272.999186	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M-H+CF3COOH"	112.985586
"1300938"	308.975864	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Cl+CF3COOH"	148.962264
"1380193"	125.000924	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H-2H2O"	-35.012676
"1394044"	143.0109	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H-H2O"	-17.0027
"293002"	321.034476	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+H"	1.007276
"687978"	481.048076	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+H"	1.007276
"1366998"	161.020876	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H"	1.007276
"140993"	161.020876	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+2H"	2.014552
"581229"	241.027676	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+2H"	2.014552
"1052021"	81.014076	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2H"	2.014552
"215669"	107.683009333333	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+3H"	3.021828
"655229"	161.020876	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+3H"	3.021828
"1175545"	54.3451426666667	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+3H"	3.021828
"429339"	338.061023	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+NH4"	18.033823
"791063"	498.074623	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+NH4"	18.033823
"1687395"	178.047423	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+NH4"	18.033823
"345278"	169.5341495	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+H+NH4"	19.041099
"737575"	249.5409495	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+H+NH4"	19.041099
"1490667"	89.5273495	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H+NH4"	19.041099
"408538"	343.016418	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+Na"	22.989218
"764871"	503.030018	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+Na"	22.989218
"1615162"	183.002818	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Na"	22.989218
"319729"	172.011847	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+H+Na"	23.996494
"713244"	252.018647	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+H+Na"	23.996494
"1468157"	92.005047	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H+Na"	23.996494
"1059220"	61.6724566666667	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2H+Na"	25.00377
"1266365"	193.047086	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+CH3OH+H"	33.033486
"389312"	358.990358	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+K"	38.963158
"753589"	519.003958	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+K"	38.963158
"1552361"	198.976758	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+K"	38.963158
"309537"	179.998817	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+H+K"	39.970434
"703784"	260.005617	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+H+K"	39.970434
"1454688"	99.992017	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H+K"	39.970434
"244384"	362.061026	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+ACN+H"	42.033826
"1222197"	202.047426	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+ACN+H"	42.033826
"1206443"	101.527351	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+ACN+2H"	43.041102
"198224"	364.99836	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+2Na-H"	44.97116
"636688"	525.01196	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+2Na-H"	44.97116
"1142380"	204.98476	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2Na-H"	44.97116
"183850"	183.002818	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+2Na"	45.978436
"618679"	263.009618	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+2Na"	45.978436
"1125466"	102.996018	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2Na"	45.978436
"1411905"	68.9997706666667	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H+2Na"	46.985712
"1444875"	207.026346	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H+HCOOH"	47.012746
"235599"	188.03584	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+3H2O+2H"	56.04448
"1522881"	221.07839	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+IsoProp+H"	61.06479
"418556"	190.989788	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+Na+K"	61.952376
"785225"	270.996588	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+Na+K"	61.952376
"1674788"	110.982988	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Na+K"	61.952376
"258029"	384.042968	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+ACN+Na"	64.015768
"1231830"	224.029368	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+ACN+Na"	64.015768
"1722904"	224.052893	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+NH4+HCOOH"	64.039293
"1188257"	76.3270846666667	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+3Na"	68.967654
"1661428"	229.008288	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Na+HCOOH"	68.994688
"166106"	396.94624	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+2K-H"	76.91904
"605673"	556.95984	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+2K-H"	76.91904
"1092372"	236.93264	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2K-H"	76.91904
"148094"	198.976758	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"2M+2K"	77.926316
"587655"	278.983558	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"3M+2K"	77.926316
"1072167"	118.969958	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2K"	77.926316
"1101727"	238.947192	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2K+H"	78.933592
"1337503"	239.034807	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+DMSO+H"	79.021207
"1009194"	243.073976	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2ACN+H"	83.060376
"1528410"	244.067608	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+IsoProp+Na+H"	84.054008
"991090"	122.040626	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+2ACN+2H"	84.067652
"1590458"	244.982228	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+K+HCOOH"	84.968628
"1415509"	275.013738	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+H+CF3COOH"	115.000138
"1154066"	142.553901	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+3ACN+2H"	125.094202
"1697417"	292.040285	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+NH4+CF3COOH"	132.026685
"1637080"	296.99568	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+Na+CF3COOH"	136.98208
"1571639"	312.96962	"C07587"	"Sodium salicylate"	"C7H5O3Na"	"160.0136"	"M+K+CF3COOH"	152.95602
"808570"	195.0532	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M"	0
"987573"	176.03481	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-H2O-H"	-19.01839
"73628"	129.028190666667	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M-3H"	-3.021828
"517442"	194.045924	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M-3H"	-3.021828
"894519"	64.0104573333333	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-3H"	-3.021828
"13215"	194.045924	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M-2H"	-2.014552
"453502"	291.572524	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M-2H"	-2.014552
"829116"	96.519324	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-2H"	-2.014552
"89839"	389.099124	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M-H"	-1.007276
"533168"	584.152324	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M-H"	-1.007276
"906471"	194.045924	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-H"	-1.007276
"57566"	406.125671	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M-2H+NH4"	16.019271
"496035"	601.178871	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M-2H+NH4"	16.019271
"868368"	211.072471	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-2H+NH4"	16.019271
"38456"	411.081066	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M-2H+Na"	20.974666
"486973"	606.134266	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M-2H+Na"	20.974666
"861897"	216.027866	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-2H+Na"	20.974666
"1634125"	216.027866	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Na-2H"	20.974666
"108808"	212.034263	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M-H+Cl"	33.962126
"549841"	309.560863	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M-H+Cl"	33.962126
"941763"	114.507663	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-H+Cl"	33.962126
"281777"	425.075802	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+Cl"	34.969402
"675416"	620.129002	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+Cl"	34.969402
"1287694"	230.022602	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Cl"	34.969402
"27455"	427.055006	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M-2H+K"	36.948606
"461548"	622.108206	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M-2H+K"	36.948606
"839350"	232.001806	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-2H+K"	36.948606
"1559556"	232.001806	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+K-2H"	36.948606
"950721"	240.051394	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-H+HCOOH"	44.998194
"368935"	435.104601	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+HCOOH-H"	44.998201
"359023"	449.120251	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+Hac-H"	59.013851
"1506033"	254.067051	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Hac-H"	59.013851
"972119"	262.033351	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-H+NaCOOH"	66.980151
"118839"	230.022602	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+2Cl"	69.938804
"560221"	327.549202	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+2Cl"	69.938804
"1031938"	132.496002	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2Cl"	69.938804
"1251515"	273.972085	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Br"	78.918885
"1315056"	276.028072	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Cl+HCOOH"	80.974872
"1330366"	298.010029	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Cl+NaCOOH"	102.956829
"925069"	308.038786	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M-H+CF3COOH"	112.985586
"1302141"	344.015464	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Cl+CF3COOH"	148.962264
"1382247"	160.040524	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H-2H2O"	-35.012676
"1392695"	178.0505	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H-H2O"	-17.0027
"293112"	391.113676	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+H"	1.007276
"689789"	586.166876	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+H"	1.007276
"1365165"	196.060476	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H"	1.007276
"141108"	196.060476	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+2H"	2.014552
"580908"	293.587076	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+2H"	2.014552
"1050064"	98.533876	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2H"	2.014552
"217965"	131.042742666667	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+3H"	3.021828
"655339"	196.060476	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+3H"	3.021828
"1175655"	66.0250093333333	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+3H"	3.021828
"429449"	408.140223	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+NH4"	18.033823
"790809"	603.193423	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+NH4"	18.033823
"1689692"	213.087023	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+NH4"	18.033823
"341985"	204.5737495	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+H+NH4"	19.041099
"736471"	302.1003495	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+H+NH4"	19.041099
"1491629"	107.0471495	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H+NH4"	19.041099
"407273"	413.095618	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+Na"	22.989218
"763888"	608.148818	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+Na"	22.989218
"1613087"	218.042418	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Na"	22.989218
"318746"	207.051447	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+H+Na"	23.996494
"712262"	304.578047	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+H+Na"	23.996494
"1464990"	109.524847	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H+Na"	23.996494
"1058238"	73.3523233333333	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2H+Na"	25.00377
"1264288"	228.086686	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+CH3OH+H"	33.033486
"387236"	429.069558	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+K"	38.963158
"751512"	624.122758	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+K"	38.963158
"1551378"	234.016358	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+K"	38.963158
"307461"	215.038417	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+H+K"	39.970434
"702071"	312.565017	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+H+K"	39.970434
"1452608"	117.511817	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H+K"	39.970434
"241213"	432.140226	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+ACN+H"	42.033826
"1220484"	237.087026	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+ACN+H"	42.033826
"1204003"	119.047151	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+ACN+2H"	43.041102
"200520"	435.07756	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+2Na-H"	44.97116
"640808"	630.13076	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+2Na-H"	44.97116
"1142494"	240.02436	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2Na-H"	44.97116
"184324"	218.042418	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+2Na"	45.978436
"618421"	315.569018	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+2Na"	45.978436
"1123388"	120.515818	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2Na"	45.978436
"1403631"	80.6796373333333	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H+2Na"	46.985712
"1444377"	242.065946	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H+HCOOH"	47.012746
"233100"	223.07544	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+3H2O+2H"	56.04448
"1524049"	256.11799	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+IsoProp+H"	61.06479
"419759"	226.029388	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+Na+K"	61.952376
"785252"	323.555988	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+Na+K"	61.952376
"1673805"	128.502788	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Na+K"	61.952376
"260326"	454.122168	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+ACN+Na"	64.015768
"1231940"	259.068968	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+ACN+Na"	64.015768
"1724108"	259.092493	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+NH4+HCOOH"	64.039293
"1187274"	88.0069513333333	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+3Na"	68.967654
"1661539"	264.047888	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Na+HCOOH"	68.994688
"162936"	467.02544	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+2K-H"	76.91904
"600310"	662.07864	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+2K-H"	76.91904
"1092482"	271.97224	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2K-H"	76.91904
"144924"	234.016358	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"2M+2K"	77.926316
"584485"	331.542958	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"3M+2K"	77.926316
"1071184"	136.489758	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2K"	77.926316
"1103297"	273.986792	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2K+H"	78.933592
"1336641"	274.074407	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+DMSO+H"	79.021207
"1007117"	278.113576	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2ACN+H"	83.060376
"1528522"	279.107208	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+IsoProp+Na+H"	84.054008
"990103"	139.560426	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+2ACN+2H"	84.067652
"1590568"	280.021828	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+K+HCOOH"	84.968628
"1415134"	310.053338	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+H+CF3COOH"	115.000138
"1156363"	160.073701	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+3ACN+2H"	125.094202
"1697527"	327.079885	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+NH4+CF3COOH"	132.026685
"1637190"	332.03528	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+Na+CF3COOH"	136.98208
"1571506"	348.00922	"C07588"	"Salicyluric acid;Salicylurate;N-(2-Hydroxybenzoyl)-glycine"	"C9H9NO4"	"195.0532"	"M+K+CF3COOH"	152.95602
"815241"	381.0759	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M"	0
"987683"	362.05751	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-H2O-H"	-19.01839
"76654"	253.043324	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M-3H"	-3.021828
"517552"	380.068624	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M-3H"	-3.021828
"894387"	126.018024	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-3H"	-3.021828
"14298"	380.068624	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M-2H"	-2.014552
"453977"	570.606574	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M-2H"	-2.014552
"827038"	189.530674	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-2H"	-2.014552
"92744"	761.144524	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M-H"	-1.007276
"533726"	1142.220424	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M-H"	-1.007276
"903301"	380.068624	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-H"	-1.007276
"60229"	778.171071	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M-2H+NH4"	16.019271
"499305"	1159.246971	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M-2H+NH4"	16.019271
"876741"	397.095171	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-2H+NH4"	16.019271
"43670"	783.126466	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M-2H+Na"	20.974666
"484324"	1164.202366	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M-2H+Na"	20.974666
"863466"	402.050566	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-2H+Na"	20.974666
"1629837"	402.050566	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Na-2H"	20.974666
"109774"	398.056963	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M-H+Cl"	33.962126
"548603"	588.594913	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M-H+Cl"	33.962126
"941268"	207.519013	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-H+Cl"	33.962126
"282011"	797.121202	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+Cl"	34.969402
"675285"	1178.197102	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+Cl"	34.969402
"1287322"	416.045302	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Cl"	34.969402
"26471"	799.100406	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M-2H+K"	36.948606
"461658"	1180.176306	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M-2H+K"	36.948606
"839460"	418.024506	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-2H+K"	36.948606
"1561123"	418.024506	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+K-2H"	36.948606
"948644"	426.074094	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-H+HCOOH"	44.998194
"365765"	807.150001	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+HCOOH-H"	44.998201
"359497"	821.165651	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+Hac-H"	59.013851
"1505777"	440.089751	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Hac-H"	59.013851
"968218"	448.056051	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-H+NaCOOH"	66.980151
"117126"	416.045302	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+2Cl"	69.938804
"553404"	606.583252	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+2Cl"	69.938804
"1027673"	225.507352	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2Cl"	69.938804
"1249437"	459.994785	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Br"	78.918885
"1307512"	462.050772	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Cl+HCOOH"	80.974872
"1323915"	484.032729	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Cl+NaCOOH"	102.956829
"917160"	494.061486	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M-H+CF3COOH"	112.985586
"1300428"	530.038164	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Cl+CF3COOH"	148.962264
"1379683"	346.063224	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H-2H2O"	-35.012676
"1391712"	364.0732	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H-H2O"	-17.0027
"293586"	763.159076	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+H"	1.007276
"686011"	1144.234976	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+H"	1.007276
"1365275"	382.083176	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H"	1.007276
"140854"	382.083176	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+2H"	2.014552
"581018"	572.621126	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+2H"	2.014552
"1052122"	191.545226	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2H"	2.014552
"218075"	255.057876	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+3H"	3.021828
"657635"	382.083176	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+3H"	3.021828
"1175765"	128.032576	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+3H"	3.021828
"432473"	780.185623	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+NH4"	18.033823
"792376"	1161.261523	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+NH4"	18.033823
"1690893"	399.109723	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+NH4"	18.033823
"343188"	390.5964495	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+H+NH4"	19.041099
"736337"	581.1343995	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+H+NH4"	19.041099
"1491984"	200.0584995	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H+NH4"	19.041099
"407138"	785.141018	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+Na"	22.989218
"766185"	1166.216918	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+Na"	22.989218
"1615990"	404.065118	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Na"	22.989218
"321041"	393.074147	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+H+Na"	23.996494
"715653"	583.612097	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+H+Na"	23.996494
"1467288"	202.536197	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H+Na"	23.996494
"1058347"	135.35989	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2H+Na"	25.00377
"1266586"	414.109386	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+CH3OH+H"	33.033486
"386252"	801.114958	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+K"	38.963158
"751622"	1182.190858	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+K"	38.963158
"1551488"	420.039058	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+K"	38.963158
"308665"	401.061117	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+H+K"	39.970434
"701087"	591.599067	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+H+K"	39.970434
"1456003"	210.523167	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H+K"	39.970434
"246428"	804.185626	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+ACN+H"	42.033826
"1225548"	423.109726	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+ACN+H"	42.033826
"1209841"	212.058501	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+ACN+2H"	43.041102
"199538"	807.12296	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+2Na-H"	44.97116
"638731"	1188.19886	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+2Na-H"	44.97116
"1140050"	426.04706	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2Na-H"	44.97116
"184434"	404.065118	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+2Na"	45.978436
"618531"	594.603068	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+2Na"	45.978436
"1122405"	213.527168	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2Na"	45.978436
"1404834"	142.687204	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H+2Na"	46.985712
"1444244"	428.088646	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H+HCOOH"	47.012746
"233089"	409.09814	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+3H2O+2H"	56.04448
"1523712"	442.14069	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+IsoProp+H"	61.06479
"419870"	412.052088	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+Na+K"	61.952376
"783417"	602.590038	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+Na+K"	61.952376
"1676102"	221.514138	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Na+K"	61.952376
"263718"	826.167568	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+ACN+Na"	64.015768
"1237884"	445.091668	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+ACN+Na"	64.015768
"1723125"	445.115193	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+NH4+HCOOH"	64.039293
"1188483"	150.014518	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+3Na"	68.967654
"1658739"	450.070588	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Na+HCOOH"	68.994688
"163046"	839.07084	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+2K-H"	76.91904
"600784"	1220.14674	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+2K-H"	76.91904
"1092592"	457.99494	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2K-H"	76.91904
"143941"	420.039058	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"2M+2K"	77.926316
"584594"	610.577008	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"3M+2K"	77.926316
"1068619"	229.501108	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2K"	77.926316
"1102313"	460.009492	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2K+H"	78.933592
"1338695"	460.097107	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+DMSO+H"	79.021207
"1007227"	464.136276	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2ACN+H"	83.060376
"1528631"	465.129908	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+IsoProp+Na+H"	84.054008
"990705"	232.571776	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+2ACN+2H"	84.067652
"1591775"	466.044528	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+K+HCOOH"	84.968628
"1417797"	496.076038	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+H+CF3COOH"	115.000138
"1148818"	253.085051	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+3ACN+2H"	125.094202
"1697638"	513.102585	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+NH4+CF3COOH"	132.026685
"1636207"	518.05798	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+Na+CF3COOH"	136.98208
"1571495"	534.03192	"C07589"	"Celecoxib"	"C17H14F3N3O2S"	"381.0759"	"M+K+CF3COOH"	152.95602
"814261"	314.0613	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M"	0
"984513"	295.04291	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-H2O-H"	-19.01839
"78103"	208.366924	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M-3H"	-3.021828
"513412"	313.054024	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M-3H"	-3.021828
"894495"	103.679824	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-3H"	-3.021828
"13070"	313.054024	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M-2H"	-2.014552
"453722"	470.084674	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M-2H"	-2.014552
"831044"	156.023374	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-2H"	-2.014552
"92491"	627.115324	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M-H"	-1.007276
"532903"	941.176624	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M-H"	-1.007276
"910953"	313.054024	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-H"	-1.007276
"58879"	644.141871	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M-2H+NH4"	16.019271
"496255"	958.203171	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M-2H+NH4"	16.019271
"877338"	330.080571	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-2H+NH4"	16.019271
"45239"	649.097266	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M-2H+Na"	20.974666
"482612"	963.158566	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M-2H+Na"	20.974666
"862482"	335.035966	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-2H+Na"	20.974666
"1631041"	335.035966	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Na-2H"	20.974666
"107569"	331.042363	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M-H+Cl"	33.962126
"548714"	488.073013	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M-H+Cl"	33.962126
"940645"	174.011713	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-H+Cl"	33.962126
"282005"	663.092002	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+Cl"	34.969402
"674299"	977.153302	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+Cl"	34.969402
"1286824"	349.030702	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Cl"	34.969402
"29623"	665.071206	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M-2H+K"	36.948606
"470398"	979.132506	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M-2H+K"	36.948606
"843947"	351.009906	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-2H+K"	36.948606
"1565249"	351.009906	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+K-2H"	36.948606
"953129"	359.059494	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-H+HCOOH"	44.998194
"369159"	673.120801	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+HCOOH-H"	44.998201
"359243"	687.136451	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+Hac-H"	59.013851
"1505526"	373.075151	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Hac-H"	59.013851
"971609"	381.041451	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-H+NaCOOH"	66.980151
"121610"	349.030702	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+2Cl"	69.938804
"556796"	506.061352	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+2Cl"	69.938804
"1033248"	192.000052	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2Cl"	69.938804
"1250639"	392.980185	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Br"	78.918885
"1311996"	395.036172	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Cl+HCOOH"	80.974872
"1327304"	417.018129	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Cl+NaCOOH"	102.956829
"920549"	427.046886	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M-H+CF3COOH"	112.985586
"1300539"	463.023564	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Cl+CF3COOH"	148.962264
"1373233"	279.048624	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H-2H2O"	-35.012676
"1392918"	297.0586	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H-H2O"	-17.0027
"295888"	629.129876	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+H"	1.007276
"687213"	943.191176	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+H"	1.007276
"1365755"	315.068576	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H"	1.007276
"140831"	315.068576	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+2H"	2.014552
"581321"	472.099226	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+2H"	2.014552
"1050285"	158.037926	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2H"	2.014552
"219278"	210.381476	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+3H"	3.021828
"654468"	315.068576	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+3H"	3.021828
"1174781"	105.694376	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+3H"	3.021828
"431493"	646.156423	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+NH4"	18.033823
"791029"	960.217723	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+NH4"	18.033823
"1696113"	332.095123	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+NH4"	18.033823
"341472"	323.5818495	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+H+NH4"	19.041099
"737540"	480.6124995	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+H+NH4"	19.041099
"1491724"	166.5511995	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H+NH4"	19.041099
"407486"	651.111818	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+Na"	22.989218
"769580"	965.173118	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+Na"	22.989218
"1615491"	337.050518	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Na"	22.989218
"320064"	326.059547	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+H+Na"	23.996494
"712483"	483.090197	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+H+Na"	23.996494
"1466305"	169.028897	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H+Na"	23.996494
"1062829"	113.02169	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2H+Na"	25.00377
"1268881"	347.094786	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+CH3OH+H"	33.033486
"388549"	667.085758	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+K"	38.963158
"749545"	981.147058	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+K"	38.963158
"1552691"	353.024458	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+K"	38.963158
"309871"	334.046517	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+H+K"	39.970434
"699011"	491.077167	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+H+K"	39.970434
"1460735"	177.015867	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H+K"	39.970434
"249456"	670.156426	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+ACN+H"	42.033826
"1224722"	356.095126	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+ACN+H"	42.033826
"1209378"	178.551201	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+ACN+2H"	43.041102
"200015"	673.09376	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+2Na-H"	44.97116
"638841"	987.15506	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+2Na-H"	44.97116
"1141619"	359.03246	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2Na-H"	44.97116
"182723"	337.050518	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+2Na"	45.978436
"619369"	494.081168	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+2Na"	45.978436
"1129076"	180.019868	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2Na"	45.978436
"1406038"	120.349004	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H+2Na"	46.985712
"1443995"	361.074046	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H+HCOOH"	47.012746
"234306"	342.08354	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+3H2O+2H"	56.04448
"1523097"	375.12609	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+IsoProp+H"	61.06479
"422167"	345.037488	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+Na+K"	61.952376
"778788"	502.068138	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+Na+K"	61.952376
"1674026"	188.006838	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Na+K"	61.952376
"266012"	692.138368	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+ACN+Na"	64.015768
"1238356"	378.077068	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+ACN+Na"	64.015768
"1721048"	378.100593	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+NH4+HCOOH"	64.039293
"1187495"	127.676318	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+3Na"	68.967654
"1658482"	383.055988	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Na+HCOOH"	68.994688
"165341"	705.04164	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+2K-H"	76.91904
"600536"	1019.10294	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+2K-H"	76.91904
"1084476"	390.98034	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2K-H"	76.91904
"144052"	353.024458	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"2M+2K"	77.926316
"589081"	510.055108	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"3M+2K"	77.926316
"1074686"	195.993808	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2K"	77.926316
"1102426"	392.994892	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2K+H"	78.933592
"1337718"	393.082507	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+DMSO+H"	79.021207
"1009524"	397.121676	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2ACN+H"	83.060376
"1526558"	398.115308	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+IsoProp+Na+H"	84.054008
"992278"	199.064476	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+2ACN+2H"	84.067652
"1591886"	399.029928	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+K+HCOOH"	84.968628
"1424108"	429.061438	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+H+CF3COOH"	115.000138
"1155491"	219.577751	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+3ACN+2H"	125.094202
"1705044"	446.087985	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+NH4+CF3COOH"	132.026685
"1642882"	451.04338	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+Na+CF3COOH"	136.98208
"1572333"	467.01732	"C07590"	"Rofecoxib"	"C17H14O4S"	"314.0613"	"M+K+CF3COOH"	152.95602
"814367"	179.0946	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M"	0
"984623"	160.07621	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"77241"	118.389124	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"512429"	178.087324	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"892418"	58.690924	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"13180"	178.087324	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"454319"	267.634624	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"830545"	88.540024	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"92601"	357.181924	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"533741"	536.276524	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"906802"	178.087324	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"55709"	374.208471	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"490897"	553.303071	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"874167"	195.113871	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"38788"	379.163866	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"482722"	558.258466	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"860525"	200.069266	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1627871"	200.069266	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"106585"	196.075663	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"548334"	285.622963	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"940755"	106.528363	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"282476"	393.158602	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"675224"	572.253202	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1287175"	214.064002	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"30826"	395.137806	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"470509"	574.232406	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"842964"	216.043206	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1565357"	216.043206	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"949956"	224.092794	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"364525"	403.187401	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"358259"	417.203051	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1505636"	238.108451	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"970625"	246.074751	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"122084"	214.064002	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"556906"	303.611302	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1026798"	124.516702	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1250749"	258.013485	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1307731"	260.069472	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1325227"	282.051429	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"917379"	292.080186	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1296275"	328.056864	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1374436"	144.081924	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1389748"	162.0919	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"293810"	359.196476	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"686959"	538.291076	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1365499"	180.101876	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"140213"	180.101876	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"581308"	269.649176	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1051486"	90.554576	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"218658"	120.403676	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"655671"	180.101876	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1173798"	60.705476	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"431603"	376.223023	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"792598"	555.317623	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1695132"	197.128423	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"344865"	188.6151495	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"738442"	278.1624495	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1490741"	99.0678495	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"402129"	381.178418	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"767500"	560.273018	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1615600"	202.083818	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"322361"	191.092847	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"710407"	280.640147	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1464228"	101.545547	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1064032"	68.03279	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1268991"	212.128086	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"390845"	397.152358	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"752935"	576.246958	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1552801"	218.057758	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"309981"	199.079817	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"699121"	288.627117	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1459506"	109.532517	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"249930"	400.223026	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1224221"	221.128426	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1209691"	111.067851	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"200853"	403.16036	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"634942"	582.25496	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1138450"	224.06576	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"182832"	202.083818	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"621302"	291.631118	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1120802"	112.536518	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1402868"	75.360104	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1444467"	226.107346	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"230149"	207.11684	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1522844"	240.15939	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"421184"	210.070788	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"781085"	299.618088	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1674136"	120.523488	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"266001"	422.204968	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1239196"	243.110368	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1720065"	243.133893	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1188698"	82.687418	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1658592"	248.089288	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"164358"	435.10824	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"602831"	614.20284	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1084344"	256.01364	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"145254"	218.057758	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"582628"	307.605058	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1073703"	128.510458	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1101564"	258.028192	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1337828"	258.115807	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1008541"	262.154976	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1526668"	263.148608	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"993117"	131.581126	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1590902"	264.063228	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1425311"	294.094738	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1155601"	152.094401	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1704060"	311.121285	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1642992"	316.07668	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1571715"	332.05062	"C07591"	"Phenacetin;Acetophenetidin"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"814477"	399.1682	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M"	0
"984733"	380.14981	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-H2O-H"	-19.01839
"78040"	265.104857333333	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M-3H"	-3.021828
"513632"	398.160924	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M-3H"	-3.021828
"894594"	132.048790666667	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-3H"	-3.021828
"14749"	398.160924	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M-2H"	-2.014552
"454308"	597.745024	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M-2H"	-2.014552
"829198"	198.576824	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-2H"	-2.014552
"91862"	797.329124	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M-H"	-1.007276
"532149"	1196.497324	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M-H"	-1.007276
"906912"	398.160924	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-H"	-1.007276
"59099"	814.355671	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M-2H+NH4"	16.019271
"488575"	1213.523871	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M-2H+NH4"	16.019271
"870997"	415.187471	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-2H+NH4"	16.019271
"38898"	819.311066	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M-2H+Na"	20.974666
"482832"	1218.479266	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M-2H+Na"	20.974666
"859542"	420.142866	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-2H+Na"	20.974666
"1627981"	420.142866	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Na-2H"	20.974666
"105601"	416.149263	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M-H+Cl"	33.962126
"548323"	615.733363	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M-H+Cl"	33.962126
"940864"	216.565163	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-H+Cl"	33.962126
"280518"	833.305802	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+Cl"	34.969402
"675493"	1232.474002	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+Cl"	34.969402
"1286434"	434.137602	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Cl"	34.969402
"28991"	835.285006	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M-2H+K"	36.948606
"470658"	1234.453206	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M-2H+K"	36.948606
"845989"	436.116806	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-2H+K"	36.948606
"1568746"	436.116806	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+K-2H"	36.948606
"946786"	444.166394	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-H+HCOOH"	44.998194
"364271"	843.334601	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+HCOOH-H"	44.998201
"358732"	857.350251	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+Hac-H"	59.013851
"1505016"	458.182051	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Hac-H"	59.013851
"970735"	466.148351	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-H+NaCOOH"	66.980151
"121466"	434.137602	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+2Cl"	69.938804
"553736"	633.721702	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+2Cl"	69.938804
"1030188"	234.553502	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2Cl"	69.938804
"1250859"	478.087085	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Br"	78.918885
"1307841"	480.143072	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Cl+HCOOH"	80.974872
"1325337"	502.125029	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Cl+NaCOOH"	102.956829
"917489"	512.153786	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M-H+CF3COOH"	112.985586
"1297479"	548.130464	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Cl+CF3COOH"	148.962264
"1376733"	364.155524	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H-2H2O"	-35.012676
"1389856"	382.1655	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H-H2O"	-17.0027
"288449"	799.343676	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+H"	1.007276
"681966"	1198.511876	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+H"	1.007276
"1362691"	400.175476	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H"	1.007276
"139956"	400.175476	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+2H"	2.014552
"581065"	599.759576	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+2H"	2.014552
"1048316"	200.591376	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2H"	2.014552
"216216"	267.119409333333	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+3H"	3.021828
"655781"	400.175476	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+3H"	3.021828
"1173908"	134.063342666667	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+3H"	3.021828
"433170"	816.370223	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+NH4"	18.033823
"793800"	1215.538423	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+NH4"	18.033823
"1693785"	417.202023	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+NH4"	18.033823
"341695"	408.6887495	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+H+NH4"	19.041099
"735210"	608.2728495	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+H+NH4"	19.041099
"1487935"	209.1046495	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H+NH4"	19.041099
"404425"	821.325618	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+Na"	22.989218
"762143"	1220.493818	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+Na"	22.989218
"1613524"	422.157418	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Na"	22.989218
"315543"	411.166447	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+H+Na"	23.996494
"707842"	610.750547	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+H+Na"	23.996494
"1462633"	211.582347	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H+Na"	23.996494
"1058675"	141.390656666667	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2H+Na"	25.00377
"1268737"	432.201686	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+CH3OH+H"	33.033486
"390955"	837.299558	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+K"	38.963158
"749763"	1236.467758	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+K"	38.963158
"1550724"	438.131358	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+K"	38.963158
"307898"	419.153417	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+H+K"	39.970434
"701417"	618.737517	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+H+K"	39.970434
"1451960"	219.569317	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H+K"	39.970434
"248581"	840.370226	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+ACN+H"	42.033826
"1221290"	441.202026	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+ACN+H"	42.033826
"1207362"	221.104651	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+ACN+2H"	43.041102
"196588"	843.30756	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+2Na-H"	44.97116
"633959"	1242.47576	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+2Na-H"	44.97116
"1136372"	444.13936	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2Na-H"	44.97116
"176383"	422.157418	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+2Na"	45.978436
"618132"	621.741518	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+2Na"	45.978436
"1120912"	222.573318	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2Na"	45.978436
"1402978"	148.717970666667	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H+2Na"	46.985712
"1438377"	446.180946	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H+HCOOH"	47.012746
"225885"	427.19044	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+3H2O+2H"	56.04448
"1523799"	460.23299	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+IsoProp+H"	61.06479
"423603"	430.144388	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+Na+K"	61.952376
"785089"	629.728488	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+Na+K"	61.952376
"1674245"	230.560288	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Na+K"	61.952376
"264045"	862.352168	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+ACN+Na"	64.015768
"1239307"	463.183968	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+ACN+Na"	64.015768
"1717988"	463.207493	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+NH4+HCOOH"	64.039293
"1187716"	156.045284666667	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+3Na"	68.967654
"1656515"	468.162888	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Na+HCOOH"	68.994688
"162281"	875.25544	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+2K-H"	76.91904
"602941"	1274.42364	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+2K-H"	76.91904
"1086361"	476.08724	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2K-H"	76.91904
"144271"	438.131358	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"2M+2K"	77.926316
"582738"	637.715458	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"3M+2K"	77.926316
"1074906"	238.547258	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2K"	77.926316
"1101795"	478.101792	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2K+H"	78.933592
"1337208"	478.189407	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+DMSO+H"	79.021207
"1006949"	482.228576	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2ACN+H"	83.060376
"1525196"	483.222208	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+IsoProp+Na+H"	84.054008
"992133"	241.617926	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+2ACN+2H"	84.067652
"1591012"	484.136828	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+K+HCOOH"	84.968628
"1425421"	514.168338	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+H+CF3COOH"	115.000138
"1154618"	262.131201	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+3ACN+2H"	125.094202
"1704170"	531.194885	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+NH4+CF3COOH"	132.026685
"1643102"	536.15028	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+Na+CF3COOH"	136.98208
"1573283"	552.12422	"C07592"	"Colchicine"	"C22H25NO6"	"399.1682"	"M+K+CF3COOH"	152.95602
"814587"	394.1416	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M"	0
"985936"	375.12321	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-H2O-H"	-19.01839
"71992"	261.753790666667	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M-3H"	-3.021828
"517022"	393.134324	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M-3H"	-3.021828
"894098"	130.373257333333	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-3H"	-3.021828
"15224"	393.134324	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M-2H"	-2.014552
"451865"	590.205124	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M-2H"	-2.014552
"828575"	196.063524	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-2H"	-2.014552
"92577"	787.275924	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M-H"	-1.007276
"533233"	1181.417524	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M-H"	-1.007276
"907022"	393.134324	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-H"	-1.007276
"61032"	804.302471	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M-2H+NH4"	16.019271
"494397"	1198.444071	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M-2H+NH4"	16.019271
"871107"	410.160871	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-2H+NH4"	16.019271
"39008"	809.257866	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M-2H+Na"	20.974666
"482942"	1203.399466	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M-2H+Na"	20.974666
"862811"	415.116266	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-2H+Na"	20.974666
"1628091"	415.116266	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Na-2H"	20.974666
"107534"	411.122663	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M-H+Cl"	33.962126
"549488"	608.193463	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M-H+Cl"	33.962126
"941462"	214.051863	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-H+Cl"	33.962126
"282208"	823.252602	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+Cl"	34.969402
"673777"	1217.394202	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+Cl"	34.969402
"1288256"	429.111002	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Cl"	34.969402
"29101"	825.231806	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M-2H+K"	36.948606
"470120"	1219.373406	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M-2H+K"	36.948606
"847314"	431.090206	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-2H+K"	36.948606
"1565576"	431.090206	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+K-2H"	36.948606
"947991"	439.139794	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-H+HCOOH"	44.998194
"364017"	833.281401	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+HCOOH-H"	44.998201
"358838"	847.297051	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+Hac-H"	59.013851
"1505490"	453.155451	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Hac-H"	59.013851
"971575"	461.121751	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-H+NaCOOH"	66.980151
"122669"	429.111002	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+2Cl"	69.938804
"553846"	626.181802	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+2Cl"	69.938804
"1028112"	232.040202	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2Cl"	69.938804
"1243316"	473.060485	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Br"	78.918885
"1309045"	475.116472	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Cl+HCOOH"	80.974872
"1327634"	497.098429	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Cl+NaCOOH"	102.956829
"917599"	507.127186	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M-H+CF3COOH"	112.985586
"1295402"	543.103864	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Cl+CF3COOH"	148.962264
"1376843"	359.128924	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H-2H2O"	-35.012676
"1387779"	377.1389	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H-H2O"	-17.0027
"288559"	789.290476	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+H"	1.007276
"682076"	1183.432076	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+H"	1.007276
"1360614"	395.148876	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H"	1.007276
"141161"	395.148876	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+2H"	2.014552
"581375"	592.219676	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+2H"	2.014552
"1049519"	198.078076	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2H"	2.014552
"215234"	263.768342666667	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+3H"	3.021828
"652607"	395.148876	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+3H"	3.021828
"1175836"	132.387809333333	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+3H"	3.021828
"438509"	806.317023	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+NH4"	18.033823
"798285"	1200.458623	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+NH4"	18.033823
"1695353"	412.175423	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+NH4"	18.033823
"344358"	403.6621495	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+H+NH4"	19.041099
"737021"	600.7329495	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+H+NH4"	19.041099
"1490964"	206.5913495	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H+NH4"	19.041099
"404538"	811.272418	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+Na"	22.989218
"765534"	1205.414018	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+Na"	22.989218
"1610354"	417.130818	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Na"	22.989218
"317112"	406.139847	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+H+Na"	23.996494
"709533"	603.210647	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+H+Na"	23.996494
"1462624"	209.069047	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H+Na"	23.996494
"1058785"	139.715123333333	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2H+Na"	25.00377
"1265930"	427.175086	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+CH3OH+H"	33.033486
"391065"	827.246358	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+K"	38.963158
"750968"	1221.387958	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+K"	38.963158
"1547554"	433.104758	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+K"	38.963158
"309102"	414.126817	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+H+K"	39.970434
"704443"	611.197617	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+H+K"	39.970434
"1453161"	217.056017	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H+K"	39.970434
"248327"	830.317026	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+ACN+H"	42.033826
"1223590"	436.175426	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+ACN+H"	42.033826
"1207109"	218.591351	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+ACN+2H"	43.041102
"199976"	833.25436	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+2Na-H"	44.97116
"636256"	1227.39596	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+2Na-H"	44.97116
"1141951"	439.11276	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2Na-H"	44.97116
"180868"	417.130818	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+2Na"	45.978436
"621521"	614.201618	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+2Na"	45.978436
"1121751"	220.060018	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2Na"	45.978436
"1407461"	147.042437333333	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H+2Na"	46.985712
"1442860"	441.154346	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H+HCOOH"	47.012746
"229275"	422.16384	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+3H2O+2H"	56.04448
"1524113"	455.20639	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+IsoProp+H"	61.06479
"424079"	425.117788	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+Na+K"	61.952376
"785504"	622.188588	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+Na+K"	61.952376
"1681068"	228.046988	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Na+K"	61.952376
"267100"	852.298968	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+ACN+Na"	64.015768
"1240509"	458.157368	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+ACN+Na"	64.015768
"1725023"	458.180893	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+NH4+HCOOH"	64.039293
"1185637"	154.369751333333	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+3Na"	68.967654
"1657716"	463.136288	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Na+HCOOH"	68.994688
"166763"	865.20224	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+2K-H"	76.91904
"598915"	1259.34384	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+2K-H"	76.91904
"1087564"	471.06064	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2K-H"	76.91904
"143287"	433.104758	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"2M+2K"	77.926316
"582969"	630.175558	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"3M+2K"	77.926316
"1073922"	236.033958	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2K"	77.926316
"1102756"	473.075192	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2K+H"	78.933592
"1338412"	473.162807	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+DMSO+H"	79.021207
"1008761"	477.201976	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2ACN+H"	83.060376
"1526887"	478.195608	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+IsoProp+Na+H"	84.054008
"991270"	239.104626	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+2ACN+2H"	84.067652
"1590026"	479.110228	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+K+HCOOH"	84.968628
"1423344"	509.141738	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+H+CF3COOH"	115.000138
"1155820"	259.617901	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+3ACN+2H"	125.094202
"1704280"	526.168285	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+NH4+CF3COOH"	132.026685
"1643212"	531.12368	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+Na+CF3COOH"	136.98208
"1573393"	547.09762	"C07593"	"Rotenone"	"C23H22O6"	"394.1416"	"M+K+CF3COOH"	152.95602
"815671"	328.2038	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M"	0
"980580"	309.18541	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"66635"	217.795257333333	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"506196"	327.196524	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"883993"	108.393990666667	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"4756"	327.196524	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"445410"	491.298424	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"821027"	163.094624	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"84296"	655.400324	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"519037"	983.604124	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"895945"	327.196524	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"47530"	672.426871	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"489039"	1000.630671	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"865747"	344.223071	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"32676"	677.382266	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"473210"	1005.586066	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"857574"	349.178466	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1628200"	349.178466	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"98168"	345.184863	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"546477"	509.286763	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"937804"	181.082963	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"278551"	691.377002	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"673158"	1019.580802	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1286534"	363.173202	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"30063"	693.356206	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"470109"	1021.560006	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"847302"	365.152406	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1565686"	365.152406	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"948101"	373.201994	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"365222"	701.405801	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"358948"	715.421451	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1504507"	387.217651	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"969861"	395.183951	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"122779"	363.173202	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"552863"	527.275102	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1028222"	199.071302	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1243427"	407.122685	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1308062"	409.178672	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1325557"	431.160629	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"916616"	441.189386	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1294419"	477.166064	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1375860"	293.191124	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1386796"	311.2011	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"285023"	657.414876	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"682186"	985.618676	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1359631"	329.211076	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"140541"	329.211076	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"580588"	493.312976	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1050358"	165.109176	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"212061"	219.809809333333	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"655996"	329.211076	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1170842"	110.408542666667	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"438131"	674.441423	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"800097"	1002.645223	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1695463"	346.237623	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"345077"	337.7243495	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"736159"	501.8262495	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1490343"	173.6224495	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"402463"	679.396818	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"764551"	1007.600618	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1616297"	351.193018	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"317222"	340.202047	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"710737"	504.303947	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1464190"	176.100147	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1056707"	117.735856666667	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1266040"	361.237286	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"391542"	695.370758	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"751078"	1023.574558	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1548757"	367.166958	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"309212"	348.189017	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"704189"	512.290917	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1459108"	184.087117	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"245882"	698.441426	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1222606"	370.237626	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1206490"	185.622451	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"200088"	701.37876	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"633088"	1029.58256	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1138781"	373.17496	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"179884"	351.193018	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"619445"	515.294918	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1120767"	187.091118	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1408665"	125.063170666667	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1441876"	375.216546	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"232301"	356.22604	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1524130"	389.26859	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"424220"	359.179988	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"785531"	523.281888	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1681069"	195.078088	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"265359"	720.423368	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1239890"	392.219568	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1725862"	392.243093	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1183564"	132.390484666667	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1655641"	397.198488	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"162503"	733.32664	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"598782"	1061.53044	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1086582"	405.12284	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"144487"	367.166958	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"583194"	531.268858	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1069778"	203.065058	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1105052"	407.137392	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1338158"	407.225007	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1008871"	411.264176	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1525904"	412.257808	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"991380"	206.135726	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1588071"	413.172428	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1423455"	443.203938	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1155931"	226.649001	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1704390"	460.230485	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1643322"	465.18588	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1573503"	481.15982	"C07594"	"Pyrethrin I"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"814807"	584.937	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M"	0
"988709"	565.91861	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-H2O-H"	-19.01839
"75492"	388.950724	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M-3H"	-3.021828
"512866"	583.929724	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M-3H"	-3.021828
"887388"	193.971724	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-3H"	-3.021828
"5959"	583.929724	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M-2H"	-2.014552
"445520"	876.398224	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M-2H"	-2.014552
"823325"	291.461224	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-2H"	-2.014552
"83313"	1168.866724	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M-H"	-1.007276
"522146"	1753.803724	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M-H"	-1.007276
"898854"	583.929724	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-H"	-1.007276
"49949"	1185.893271	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M-2H+NH4"	16.019271
"491700"	1770.830271	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M-2H+NH4"	16.019271
"872418"	600.956271	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-2H+NH4"	16.019271
"35944"	1190.848666	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M-2H+Na"	20.974666
"482067"	1775.785666	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M-2H+Na"	20.974666
"854404"	605.911666	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-2H+Na"	20.974666
"1630497"	605.911666	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Na-2H"	20.974666
"107754"	601.918063	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M-H+Cl"	33.962126
"544404"	894.386563	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M-H+Cl"	33.962126
"941074"	309.449563	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-H+Cl"	33.962126
"280726"	1204.843402	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+Cl"	34.969402
"669985"	1789.780402	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+Cl"	34.969402
"1285671"	619.906402	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Cl"	34.969402
"29079"	1206.822606	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M-2H+K"	36.948606
"467788"	1791.759606	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M-2H+K"	36.948606
"844496"	621.885606	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-2H+K"	36.948606
"1565795"	621.885606	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+K-2H"	36.948606
"946386"	629.935194	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-H+HCOOH"	44.998194
"367519"	1214.872201	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+HCOOH-H"	44.998201
"357237"	1228.887851	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+Hac-H"	59.013851
"1507900"	643.950851	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Hac-H"	59.013851
"973983"	651.917151	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-H+NaCOOH"	66.980151
"124350"	619.906402	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+2Cl"	69.938804
"561720"	912.374902	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+2Cl"	69.938804
"1035987"	327.437902	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2Cl"	69.938804
"1245724"	663.855885	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Br"	78.918885
"1311452"	665.911872	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Cl+HCOOH"	80.974872
"1328947"	687.893829	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Cl+NaCOOH"	102.956829
"918913"	697.922586	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M-H+CF3COOH"	112.985586
"1297809"	733.899264	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Cl+CF3COOH"	148.962264
"1375970"	549.924324	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H-2H2O"	-35.012676
"1389092"	567.9343	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H-H2O"	-17.0027
"285862"	1170.881276	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+H"	1.007276
"683389"	1755.818276	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+H"	1.007276
"1361928"	585.944276	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H"	1.007276
"137005"	585.944276	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+2H"	2.014552
"575473"	878.412776	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+2H"	2.014552
"1042084"	293.475776	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2H"	2.014552
"208890"	390.965276	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+3H"	3.021828
"649544"	585.944276	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+3H"	3.021828
"1168764"	195.986276	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+3H"	3.021828
"437512"	1187.907823	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+NH4"	18.033823
"799599"	1772.844823	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+NH4"	18.033823
"1695573"	602.970823	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+NH4"	18.033823
"344213"	594.4575495	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+H+NH4"	19.041099
"737241"	886.9260495	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+H+NH4"	19.041099
"1490453"	301.9890495	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H+NH4"	19.041099
"403665"	1192.863218	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+Na"	22.989218
"763567"	1777.800218	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+Na"	22.989218
"1614583"	607.926218	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Na"	22.989218
"317333"	596.935247	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+H+Na"	23.996494
"710118"	889.403747	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+H+Na"	23.996494
"1463209"	304.466747	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H+Na"	23.996494
"1056089"	203.31359	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2H+Na"	25.00377
"1266150"	617.970486	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+CH3OH+H"	33.033486
"388005"	1208.837158	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+K"	38.963158
"751187"	1793.774158	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+K"	38.963158
"1548867"	623.900158	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+K"	38.963158
"309322"	604.922217	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+H+K"	39.970434
"705392"	897.390717	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+H+K"	39.970434
"1459218"	312.453717	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H+K"	39.970434
"245263"	1211.907826	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+ACN+H"	42.033826
"1223811"	626.970826	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+ACN+H"	42.033826
"1209517"	313.989051	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+ACN+2H"	43.041102
"201290"	1214.84516	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+2Na-H"	44.97116
"635385"	1799.78216	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+2Na-H"	44.97116
"1145087"	629.90816	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2Na-H"	44.97116
"182181"	607.926218	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+2Na"	45.978436
"626115"	900.394718	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+2Na"	45.978436
"1121969"	315.457718	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2Na"	45.978436
"1408773"	210.640904	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H+2Na"	46.985712
"1441987"	631.949746	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H+HCOOH"	47.012746
"233142"	612.95924	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+3H2O+2H"	56.04448
"1524089"	646.00179	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+IsoProp+H"	61.06479
"421991"	615.913188	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+Na+K"	61.952376
"785296"	908.381688	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+Na+K"	61.952376
"1681018"	323.444688	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Na+K"	61.952376
"266442"	1233.889768	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+ACN+Na"	64.015768
"1241214"	648.952768	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+ACN+Na"	64.015768
"1728161"	648.976293	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+NH4+HCOOH"	64.039293
"1187684"	217.968218	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+3Na"	68.967654
"1656844"	653.931688	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Na+HCOOH"	68.994688
"163705"	1246.79304	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+2K-H"	76.91904
"598286"	1831.73004	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+2K-H"	76.91904
"1086692"	661.85604	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2K-H"	76.91904
"144597"	623.900158	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"2M+2K"	77.926316
"583183"	916.368658	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"3M+2K"	77.926316
"1069882"	331.431658	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2K"	77.926316
"1100780"	663.870592	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2K+H"	78.933592
"1338267"	663.958207	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+DMSO+H"	79.021207
"1008009"	667.997376	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2ACN+H"	83.060376
"1526135"	668.991008	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+IsoProp+Na+H"	84.054008
"991490"	334.502326	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+2ACN+2H"	84.067652
"1588060"	669.905628	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+K+HCOOH"	84.968628
"1422472"	699.937138	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+H+CF3COOH"	115.000138
"1156041"	355.015601	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+3ACN+2H"	125.094202
"1704500"	716.963685	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+NH4+CF3COOH"	132.026685
"1643432"	721.91908	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+Na+CF3COOH"	136.98208
"1572520"	737.89302	"C07596"	"HLo7"	"C15H17N5O42I"	"584.937"	"M+K+CF3COOH"	152.95602
"816623"	613.2648	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M"	0
"979707"	594.24641	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-H2O-H"	-19.01839
"69042"	407.835924	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M-3H"	-3.021828
"512976"	612.257524	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M-3H"	-3.021828
"887498"	203.414324	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-3H"	-3.021828
"3154"	612.257524	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M-2H"	-2.014552
"443443"	918.889924	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M-2H"	-2.014552
"823435"	305.625124	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-2H"	-2.014552
"80142"	1225.522324	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M-H"	-1.007276
"521283"	1838.787124	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M-H"	-1.007276
"897870"	612.257524	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-H"	-1.007276
"50180"	1242.548871	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M-2H+NH4"	16.019271
"491445"	1855.813671	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M-2H+NH4"	16.019271
"872528"	629.284071	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-2H+NH4"	16.019271
"40429"	1247.504266	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M-2H+Na"	20.974666
"483270"	1860.769066	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M-2H+Na"	20.974666
"856701"	634.239466	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-2H+Na"	20.974666
"1631700"	634.239466	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Na-2H"	20.974666
"106776"	630.245863	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M-H+Cl"	33.962126
"546335"	936.878263	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M-H+Cl"	33.962126
"938758"	323.613463	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-H+Cl"	33.962126
"280594"	1261.499002	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+Cl"	34.969402
"673986"	1874.763802	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+Cl"	34.969402
"1284689"	648.234202	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Cl"	34.969402
"29432"	1263.478206	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M-2H+K"	36.948606
"465710"	1876.743006	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M-2H+K"	36.948606
"844605"	650.213406	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-2H+K"	36.948606
"1566999"	650.213406	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+K-2H"	36.948606
"946861"	658.262994	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-H+HCOOH"	44.998194
"365804"	1271.527801	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+HCOOH-H"	44.998201
"349326"	1285.543451	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+Hac-H"	59.013851
"1505461"	672.278651	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Hac-H"	59.013851
"972638"	680.244951	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-H+NaCOOH"	66.980151
"123367"	648.234202	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+2Cl"	69.938804
"561105"	954.866602	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+2Cl"	69.938804
"1033911"	341.601802	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2Cl"	69.938804
"1254581"	692.183685	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Br"	78.918885
"1318489"	694.239672	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Cl+HCOOH"	80.974872
"1327965"	716.221629	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Cl+NaCOOH"	102.956829
"925584"	726.250386	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M-H+CF3COOH"	112.985586
"1302292"	762.227064	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Cl+CF3COOH"	148.962264
"1376080"	578.252124	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H-2H2O"	-35.012676
"1391389"	596.2621	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H-H2O"	-17.0027
"292170"	1227.536876	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+H"	1.007276
"683499"	1840.801676	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+H"	1.007276
"1360943"	614.272076	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H"	1.007276
"134927"	614.272076	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+2H"	2.014552
"579592"	920.904476	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+2H"	2.014552
"1042191"	307.639676	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2H"	2.014552
"208998"	409.850476	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+3H"	3.021828
"648925"	614.272076	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+3H"	3.021828
"1170331"	205.428876	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+3H"	3.021828
"436165"	1244.563423	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+NH4"	18.033823
"797888"	1857.828223	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+NH4"	18.033823
"1692767"	631.298623	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+NH4"	18.033823
"342138"	622.7853495	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+H+NH4"	19.041099
"732371"	929.4177495	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+H+NH4"	19.041099
"1489471"	316.1529495	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H+NH4"	19.041099
"403776"	1249.518818	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+Na"	22.989218
"766593"	1862.783618	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+Na"	22.989218
"1613963"	636.254018	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Na"	22.989218
"317443"	625.263047	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+H+Na"	23.996494
"713144"	931.895447	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+H+Na"	23.996494
"1464778"	318.630647	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H+Na"	23.996494
"1059115"	212.75619	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2H+Na"	25.00377
"1264073"	646.298286	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+CH3OH+H"	33.033486
"384835"	1265.492758	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+K"	38.963158
"746922"	1878.757558	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+K"	38.963158
"1552258"	652.227958	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+K"	38.963158
"307245"	633.250017	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+H+K"	39.970434
"700763"	939.882417	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+H+K"	39.970434
"1458231"	326.617617	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H+K"	39.970434
"244279"	1268.563426	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+ACN+H"	42.033826
"1225097"	655.298626	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+ACN+H"	42.033826
"1209627"	328.152951	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+ACN+2H"	43.041102
"201400"	1271.50076	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+2Na-H"	44.97116
"636589"	1884.76556	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+2Na-H"	44.97116
"1142281"	658.23596	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2Na-H"	44.97116
"179011"	636.254018	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+2Na"	45.978436
"626225"	942.886418	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+2Na"	45.978436
"1124265"	329.621618	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2Na"	45.978436
"1409977"	220.083504	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H+2Na"	46.985712
"1442098"	660.277546	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H+HCOOH"	47.012746
"234342"	641.28704	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+3H2O+2H"	56.04448
"1519860"	674.32959	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+IsoProp+H"	61.06479
"422466"	644.240988	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+Na+K"	61.952376
"784553"	950.873388	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+Na+K"	61.952376
"1679426"	337.608588	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Na+K"	61.952376
"261934"	1290.545368	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+ACN+Na"	64.015768
"1239748"	677.280568	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+ACN+Na"	64.015768
"1728115"	677.304093	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+NH4+HCOOH"	64.039293
"1192537"	227.410818	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+3Na"	68.967654
"1654768"	682.259488	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Na+HCOOH"	68.994688
"163088"	1303.44864	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+2K-H"	76.91904
"598760"	1916.71344	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+2K-H"	76.91904
"1086069"	690.18384	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2K-H"	76.91904
"143614"	652.227958	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"2M+2K"	77.926316
"583293"	958.860358	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"3M+2K"	77.926316
"1072060"	345.595558	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2K"	77.926316
"1101380"	692.198392	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2K+H"	78.933592
"1338375"	692.286007	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+DMSO+H"	79.021207
"1006534"	696.325176	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2ACN+H"	83.060376
"1525025"	697.318808	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+IsoProp+Na+H"	84.054008
"990149"	348.666226	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+2ACN+2H"	84.067652
"1590356"	698.233428	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+K+HCOOH"	84.968628
"1421488"	728.264938	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+H+CF3COOH"	115.000138
"1153964"	369.179501	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+3ACN+2H"	125.094202
"1701328"	745.291485	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+NH4+CF3COOH"	132.026685
"1644635"	750.24688	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+Na+CF3COOH"	136.98208
"1572631"	766.22082	"C07597"	"Ferroxamine;Ferrioxamine;Desferal-iron(III)"	"C25H45FeN6O8"	"613.2648"	"M+K+CF3COOH"	152.95602
"816997"	181.9708	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M"	0
"980910"	162.95241	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-H2O-H"	-19.01839
"72432"	120.306590666667	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M-3H"	-3.021828
"513086"	180.963524	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M-3H"	-3.021828
"890888"	59.6496573333333	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-3H"	-3.021828
"6180"	180.963524	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M-2H"	-2.014552
"444647"	271.948924	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M-2H"	-2.014552
"825731"	89.978124	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-2H"	-2.014552
"80253"	362.934324	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M-H"	-1.007276
"520179"	544.905124	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M-H"	-1.007276
"898709"	180.963524	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-H"	-1.007276
"49805"	379.960871	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M-2H+NH4"	16.019271
"494836"	561.931671	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M-2H+NH4"	16.019271
"871545"	197.990071	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-2H+NH4"	16.019271
"42726"	384.916266	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M-2H+Na"	20.974666
"483380"	566.887066	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M-2H+Na"	20.974666
"860091"	202.945466	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-2H+Na"	20.974666
"1630355"	202.945466	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Na-2H"	20.974666
"107977"	198.951863	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M-H+Cl"	33.962126
"547538"	289.937263	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M-H+Cl"	33.962126
"941055"	107.966463	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-H+Cl"	33.962126
"281069"	398.911002	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+Cl"	34.969402
"675518"	580.881802	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+Cl"	34.969402
"1287837"	216.940202	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Cl"	34.969402
"31312"	400.890206	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M-2H+K"	36.948606
"466913"	582.861006	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M-2H+K"	36.948606
"844715"	218.919406	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-2H+K"	36.948606
"1569661"	218.919406	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+K-2H"	36.948606
"948430"	226.968994	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-H+HCOOH"	44.998194
"365550"	408.939801	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+HCOOH-H"	44.998201
"352716"	422.955451	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+Hac-H"	59.013851
"1506299"	240.984651	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Hac-H"	59.013851
"973475"	248.950951	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-H+NaCOOH"	66.980151
"125058"	216.940202	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+2Cl"	69.938804
"561579"	307.925602	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+2Cl"	69.938804
"1034021"	125.954802	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2Cl"	69.938804
"1253234"	260.889685	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Br"	78.918885
"1317140"	262.945672	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Cl+HCOOH"	80.974872
"1331355"	284.927629	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Cl+NaCOOH"	102.956829
"924601"	294.956386	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M-H+CF3COOH"	112.985586
"1302402"	330.933064	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Cl+CF3COOH"	148.962264
"1382025"	146.958124	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H-2H2O"	-35.012676
"1397940"	164.9681	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H-H2O"	-17.0027
"291185"	364.948876	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+H"	1.007276
"683609"	546.919676	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+H"	1.007276
"1362146"	182.978076	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H"	1.007276
"136129"	182.978076	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+2H"	2.014552
"576784"	273.963476	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+2H"	2.014552
"1043394"	91.992676	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2H"	2.014552
"211294"	122.321142666667	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+3H"	3.021828
"653042"	182.978076	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+3H"	3.021828
"1170078"	61.6642093333333	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+3H"	3.021828
"435546"	381.975423	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+NH4"	18.033823
"796905"	563.946223	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+NH4"	18.033823
"1691782"	200.004623	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+NH4"	18.033823
"342247"	191.4913495	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+H+NH4"	19.041099
"736855"	282.4767495	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+H+NH4"	19.041099
"1490675"	100.5059495	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H+NH4"	19.041099
"404981"	386.930818	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+Na"	22.989218
"765975"	568.901618	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+Na"	22.989218
"1607512"	204.960018	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Na"	22.989218
"321927"	193.969047	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+H+Na"	23.996494
"709974"	284.954447	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+H+Na"	23.996494
"1463795"	102.983647	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H+Na"	23.996494
"1058132"	68.9915233333333	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2H+Na"	25.00377
"1265276"	215.004286	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+CH3OH+H"	33.033486
"387860"	402.904758	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+K"	38.963158
"743752"	584.875558	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+K"	38.963158
"1542523"	220.933958	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+K"	38.963158
"302979"	201.956017	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+H+K"	39.970434
"699776"	292.941417	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+H+K"	39.970434
"1457973"	110.970617	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H+K"	39.970434
"244389"	405.975426	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+ACN+H"	42.033826
"1224639"	224.004626	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+ACN+H"	42.033826
"1208888"	112.505951	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+ACN+2H"	43.041102
"200416"	408.91276	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+2Na-H"	44.97116
"641072"	590.88356	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+2Na-H"	44.97116
"1141297"	226.94196	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2Na-H"	44.97116
"183494"	204.960018	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+2Na"	45.978436
"628037"	295.945418	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+2Na"	45.978436
"1124376"	113.974618	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2Na"	45.978436
"1410087"	76.3188373333333	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H+2Na"	46.985712
"1444032"	228.983546	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H+HCOOH"	47.012746
"235264"	209.99304	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+3H2O+2H"	56.04448
"1521427"	243.03559	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+IsoProp+H"	61.06479
"421116"	212.946988	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+Na+K"	61.952376
"782474"	303.932388	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+Na+K"	61.952376
"1676981"	121.961588	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Na+K"	61.952376
"264592"	427.957368	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+ACN+Na"	64.015768
"1238035"	245.986568	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+ACN+Na"	64.015768
"1728061"	246.010093	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+NH4+HCOOH"	64.039293
"1191914"	83.6461513333333	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+3Na"	68.967654
"1653786"	250.965488	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Na+HCOOH"	68.994688
"159552"	440.86064	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+2K-H"	76.91904
"599479"	622.83144	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+2K-H"	76.91904
"1084597"	258.88984	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2K-H"	76.91904
"145911"	220.933958	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"2M+2K"	77.926316
"584376"	311.919358	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"3M+2K"	77.926316
"1074356"	129.948558	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2K"	77.926316
"1102826"	260.904392	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2K+H"	78.933592
"1337633"	260.992007	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+DMSO+H"	79.021207
"1006158"	265.031176	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2ACN+H"	83.060376
"1525502"	266.024808	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+IsoProp+Na+H"	84.054008
"990491"	133.019226	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+2ACN+2H"	84.067652
"1590101"	266.939428	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+K+HCOOH"	84.968628
"1420505"	296.970938	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+H+CF3COOH"	115.000138
"1152981"	153.532501	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+3ACN+2H"	125.094202
"1701438"	313.997485	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+NH4+CF3COOH"	132.026685
"1644745"	318.95288	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+Na+CF3COOH"	136.98208
"1571647"	334.92682	"C07598"	"Succimer;meso-23-Dimercaptosuccinic acid"	"C4H6O4S2"	"181.9708"	"M+K+CF3COOH"	152.95602
"815868"	152.0334	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M"	0
"977740"	133.01501	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-H2O-H"	-19.01839
"69262"	100.348324	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M-3H"	-3.021828
"512103"	151.026124	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M-3H"	-3.021828
"887717"	49.670524	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-3H"	-3.021828
"9573"	151.026124	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M-2H"	-2.014552
"443662"	227.042824	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M-2H"	-2.014552
"820375"	75.009424	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-2H"	-2.014552
"81090"	303.059524	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M-H"	-1.007276
"519924"	455.092924	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M-H"	-1.007276
"898088"	151.026124	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-H"	-1.007276
"48821"	320.086071	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M-2H+NH4"	16.019271
"491666"	472.119471	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M-2H+NH4"	16.019271
"871655"	168.052671	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-2H+NH4"	16.019271
"39556"	325.041466	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M-2H+Na"	20.974666
"483490"	477.074866	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M-2H+Na"	20.974666
"860201"	173.008066	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-2H+Na"	20.974666
"1630829"	173.008066	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Na-2H"	20.974666
"107357"	169.014463	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M-H+Cl"	33.962126
"544734"	245.031163	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M-H+Cl"	33.962126
"939341"	92.997763	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-H+Cl"	33.962126
"281059"	339.036202	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+Cl"	34.969402
"675469"	491.069602	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+Cl"	34.969402
"1287096"	187.002802	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Cl"	34.969402
"31073"	341.015406	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M-2H+K"	36.948606
"467023"	493.048806	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M-2H+K"	36.948606
"846648"	188.982006	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-2H+K"	36.948606
"1570743"	188.982006	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+K-2H"	36.948606
"951820"	197.031594	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-H+HCOOH"	44.998194
"367847"	349.065001	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+HCOOH-H"	44.998201
"355013"	363.080651	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+Hac-H"	59.013851
"1506771"	211.047251	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Hac-H"	59.013851
"971034"	219.013551	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-H+NaCOOH"	66.980151
"123584"	187.002802	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+2Cl"	69.938804
"565375"	263.019502	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+2Cl"	69.938804
"1034131"	110.986102	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2Cl"	69.938804
"1251521"	230.952285	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Br"	78.918885
"1317250"	233.008272	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Cl+HCOOH"	80.974872
"1333288"	254.990229	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Cl+NaCOOH"	102.956829
"925804"	265.018986	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M-H+CF3COOH"	112.985586
"1303364"	300.995664	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Cl+CF3COOH"	148.962264
"1382379"	117.020724	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H-2H2O"	-35.012676
"1395982"	135.0307	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H-H2O"	-17.0027
"294576"	305.074076	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+H"	1.007276
"683719"	457.107476	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+H"	1.007276
"1363349"	153.040676	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H"	1.007276
"137332"	153.040676	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+2H"	2.014552
"576894"	229.057376	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+2H"	2.014552
"1044598"	77.023976	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2H"	2.014552
"210310"	102.362876	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+3H"	3.021828
"649872"	153.040676	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+3H"	3.021828
"1171280"	51.685076	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+3H"	3.021828
"434562"	322.100623	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+NH4"	18.033823
"795556"	474.134023	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+NH4"	18.033823
"1689704"	170.067223	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+NH4"	18.033823
"339077"	161.5539495	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+H+NH4"	19.041099
"733685"	237.5706495	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+H+NH4"	19.041099
"1486410"	85.5372495	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H+NH4"	19.041099
"401808"	327.056018	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+Na"	22.989218
"762805"	479.089418	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+Na"	22.989218
"1609809"	175.022618	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Na"	22.989218
"319850"	164.031647	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+H+Na"	23.996494
"712271"	240.048347	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+H+Na"	23.996494
"1463905"	88.014947	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H+Na"	23.996494
"1057150"	59.01239	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2H+Na"	25.00377
"1267575"	185.066886	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+CH3OH+H"	33.033486
"390522"	343.029958	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+K"	38.963158
"750423"	495.063358	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+K"	38.963158
"1549194"	190.996558	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+K"	38.963158
"301997"	172.018617	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+H+K"	39.970434
"696606"	248.035317	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+H+K"	39.970434
"1454803"	96.001917	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H+K"	39.970434
"245592"	346.100626	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+ACN+H"	42.033826
"1225357"	194.067226	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+ACN+H"	42.033826
"1208508"	97.537251	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+ACN+2H"	43.041102
"197245"	349.03796	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+2Na-H"	44.97116
"640088"	501.07136	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+2Na-H"	44.97116
"1142500"	197.00456	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2Na-H"	44.97116
"182511"	175.022618	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+2Na"	45.978436
"627543"	251.039318	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+2Na"	45.978436
"1124486"	99.005918	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2Na"	45.978436
"1410197"	66.339704	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H+2Na"	46.985712
"1444506"	199.046146	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H+HCOOH"	47.012746
"234562"	180.05564	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+3H2O+2H"	56.04448
"1522258"	213.09819	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+IsoProp+H"	61.06479
"419764"	183.009588	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+Na+K"	61.952376
"782583"	259.026288	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+Na+K"	61.952376
"1677091"	106.992888	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Na+K"	61.952376
"264704"	368.082568	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+ACN+Na"	64.015768
"1240574"	216.049168	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+ACN+Na"	64.015768
"1725572"	216.072693	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+NH4+HCOOH"	64.039293
"1193481"	73.667018	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+3Na"	68.967654
"1653896"	221.028088	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Na+HCOOH"	68.994688
"161849"	380.98584	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+2K-H"	76.91904
"599225"	533.01924	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+2K-H"	76.91904
"1087382"	228.95244	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2K-H"	76.91904
"143834"	190.996558	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"2M+2K"	77.926316
"582662"	267.013258	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"3M+2K"	77.926316
"1072279"	114.979858	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2K"	77.926316
"1101600"	230.966992	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2K+H"	78.933592
"1336650"	231.054607	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+DMSO+H"	79.021207
"1008217"	235.093776	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2ACN+H"	83.060376
"1526342"	236.087408	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+IsoProp+Na+H"	84.054008
"990603"	118.050526	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+2ACN+2H"	84.067652
"1589483"	237.002028	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+K+HCOOH"	84.968628
"1417336"	267.033538	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+H+CF3COOH"	115.000138
"1150176"	138.563801	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+3ACN+2H"	125.094202
"1699362"	284.060085	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+NH4+CF3COOH"	132.026685
"1644855"	289.01548	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+Na+CF3COOH"	136.98208
"1571552"	304.98942	"C07599"	"Alloxanthine;Oxipurinol;Oxypurinol"	"C5H4N4O2"	"152.0334"	"M+K+CF3COOH"	152.95602
"816465"	162.0173	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M"	0
"980037"	142.99891	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-H2O-H"	-19.01839
"71559"	107.004257333333	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M-3H"	-3.021828
"510026"	161.010024	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M-3H"	-3.021828
"887827"	52.9984906666667	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-3H"	-3.021828
"9682"	161.010024	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M-2H"	-2.014552
"444869"	242.018674	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M-2H"	-2.014552
"819755"	80.001374	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-2H"	-2.014552
"81929"	323.027324	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M-H"	-1.007276
"522221"	485.044624	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M-H"	-1.007276
"897834"	161.010024	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-H"	-1.007276
"49660"	340.053871	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M-2H+NH4"	16.019271
"491411"	502.071171	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M-2H+NH4"	16.019271
"870671"	178.036571	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-2H+NH4"	16.019271
"39666"	345.009266	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M-2H+Na"	20.974666
"481414"	507.026566	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M-2H+Na"	20.974666
"859947"	182.991966	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-2H+Na"	20.974666
"1627660"	182.991966	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Na-2H"	20.974666
"106739"	178.998363	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M-H+Cl"	33.962126
"545938"	260.007013	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M-H+Cl"	33.962126
"938359"	97.989713	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-H+Cl"	33.962126
"282383"	359.004002	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+Cl"	34.969402
"674436"	521.021302	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+Cl"	34.969402
"1287937"	196.986702	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Cl"	34.969402
"31059"	360.983206	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M-2H+K"	36.948606
"470052"	523.000506	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M-2H+K"	36.948606
"846395"	198.965906	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-2H+K"	36.948606
"1568059"	198.965906	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+K-2H"	36.948606
"950837"	207.015494	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-H+HCOOH"	44.998194
"370144"	369.032801	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+HCOOH-H"	44.998201
"355123"	383.048451	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+Hac-H"	59.013851
"1507126"	221.031151	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Hac-H"	59.013851
"970780"	228.997451	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-H+NaCOOH"	66.980151
"124301"	196.986702	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+2Cl"	69.938804
"565078"	277.995352	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+2Cl"	69.938804
"1032054"	115.978052	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2Cl"	69.938804
"1248352"	240.936185	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Br"	78.918885
"1318454"	242.992172	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Cl+HCOOH"	80.974872
"1334494"	264.974129	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Cl+NaCOOH"	102.956829
"922634"	275.002886	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M-H+CF3COOH"	112.985586
"1302624"	310.979564	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Cl+CF3COOH"	148.962264
"1379691"	127.004624	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H-2H2O"	-35.012676
"1397188"	145.0146	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H-H2O"	-17.0027
"294686"	325.041876	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+H"	1.007276
"682735"	487.059176	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+H"	1.007276
"1362366"	163.024576	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H"	1.007276
"138536"	163.024576	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+2H"	2.014552
"579190"	244.033226	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+2H"	2.014552
"1045803"	82.015926	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2H"	2.014552
"208234"	109.018809333333	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+3H"	3.021828
"651075"	163.024576	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+3H"	3.021828
"1170295"	55.0130426666667	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+3H"	3.021828
"435402"	342.068423	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+NH4"	18.033823
"797489"	504.085723	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+NH4"	18.033823
"1690908"	180.051123	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+NH4"	18.033823
"334813"	171.5378495	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+H+NH4"	19.041099
"732701"	252.5464995	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+H+NH4"	19.041099
"1486520"	90.5291995	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H+NH4"	19.041099
"398639"	347.023818	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+Na"	22.989218
"761821"	509.041118	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+Na"	22.989218
"1609921"	185.006518	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Na"	22.989218
"316678"	174.015547	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+H+Na"	23.996494
"710194"	255.024197	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+H+Na"	23.996494
"1464015"	93.006897	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H+Na"	23.996494
"1059447"	62.3403566666667	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2H+Na"	25.00377
"1260031"	195.050786	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+CH3OH+H"	33.033486
"385167"	362.997758	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+K"	38.963158
"751993"	525.015058	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+K"	38.963158
"1551492"	200.980458	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+K"	38.963158
"305388"	182.002517	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+H+K"	39.970434
"698902"	263.011167	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+H+K"	39.970434
"1454913"	100.993867	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H+K"	39.970434
"244609"	366.068426	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+ACN+H"	42.033826
"1223277"	204.051126	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+ACN+H"	42.033826
"1206672"	102.529201	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+ACN+2H"	43.041102
"202460"	369.00576	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+2Na-H"	44.97116
"640199"	531.02306	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+2Na-H"	44.97116
"1143704"	206.98846	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2Na-H"	44.97116
"185780"	185.006518	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+2Na"	45.978436
"627170"	266.015168	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+2Na"	45.978436
"1124596"	103.997868	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2Na"	45.978436
"1410307"	69.6676706666667	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H+2Na"	46.985712
"1444136"	209.030046	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H+HCOOH"	47.012746
"234795"	190.03954	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+3H2O+2H"	56.04448
"1523103"	223.08209	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+IsoProp+H"	61.06479
"419874"	192.993488	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+Na+K"	61.952376
"783787"	274.002138	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+Na+K"	61.952376
"1677931"	111.984838	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Na+K"	61.952376
"266275"	388.050368	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+ACN+Na"	64.015768
"1237524"	226.033068	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+ACN+Na"	64.015768
"1727142"	226.056593	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+NH4+HCOOH"	64.039293
"1193592"	76.9949846666667	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+3Na"	68.967654
"1654006"	231.011988	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Na+HCOOH"	68.994688
"159772"	400.95364	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+2K-H"	76.91904
"597186"	562.97094	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+2K-H"	76.91904
"1084247"	238.93634	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2K-H"	76.91904
"143944"	200.980458	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"2M+2K"	77.926316
"581598"	281.989108	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"3M+2K"	77.926316
"1071295"	119.971808	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2K"	77.926316
"1099967"	240.950892	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2K+H"	78.933592
"1336639"	241.038507	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+DMSO+H"	79.021207
"1007234"	245.077676	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2ACN+H"	83.060376
"1525357"	246.071308	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+IsoProp+Na+H"	84.054008
"990713"	123.042476	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+2ACN+2H"	84.067652
"1587769"	246.985928	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+K+HCOOH"	84.968628
"1417446"	277.017438	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+H+CF3COOH"	115.000138
"1150286"	143.555751	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+3ACN+2H"	125.094202
"1699472"	294.043985	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+NH4+CF3COOH"	132.026685
"1644965"	298.99938	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+Na+CF3COOH"	136.98208
"1571458"	314.97332	"C07600"	"Allicin;2-Propene-1-sulfinothioic acid S-2-propenyl ester"	"C6H10OS2"	"162.0173"	"M+K+CF3COOH"	152.95602
"816574"	408.142	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M"	0
"980147"	389.12361	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-H2O-H"	-19.01839
"69482"	271.087390666667	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M-3H"	-3.021828
"509043"	407.134724	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M-3H"	-3.021828
"887936"	135.040057333333	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-3H"	-3.021828
"4322"	407.134724	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M-2H"	-2.014552
"446072"	611.205724	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M-2H"	-2.014552
"823874"	203.063724	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-2H"	-2.014552
"80220"	815.276724	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M-H"	-1.007276
"521605"	1223.418724	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M-H"	-1.007276
"903416"	407.134724	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-H"	-1.007276
"53051"	832.303271	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M-2H+NH4"	16.019271
"497354"	1240.445271	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M-2H+NH4"	16.019271
"870052"	424.161271	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-2H+NH4"	16.019271
"39776"	837.258666	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M-2H+Na"	20.974666
"482617"	1245.400666	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M-2H+Na"	20.974666
"858236"	429.116666	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-2H+Na"	20.974666
"1626677"	429.116666	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Na-2H"	20.974666
"105392"	425.123063	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M-H+Cl"	33.962126
"543860"	629.194063	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M-H+Cl"	33.962126
"936282"	221.052063	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-H+Cl"	33.962126
"280305"	851.253402	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+Cl"	34.969402
"674062"	1259.395402	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+Cl"	34.969402
"1285129"	443.111402	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Cl"	34.969402
"27684"	853.232606	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M-2H+K"	36.948606
"469432"	1261.374606	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M-2H+K"	36.948606
"847233"	445.090606	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-2H+K"	36.948606
"1566346"	445.090606	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+K-2H"	36.948606
"948760"	453.140194	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-H+HCOOH"	44.998194
"368068"	861.282201	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+HCOOH-H"	44.998201
"354140"	875.297851	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+Hac-H"	59.013851
"1507962"	467.155851	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Hac-H"	59.013851
"973802"	475.122151	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-H+NaCOOH"	66.980151
"125141"	443.111402	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+2Cl"	69.938804
"565153"	647.182402	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+2Cl"	69.938804
"1028883"	239.040402	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2Cl"	69.938804
"1251742"	487.060885	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Br"	78.918885
"1317470"	489.116872	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Cl+HCOOH"	80.974872
"1334486"	511.098829	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Cl+NaCOOH"	102.956829
"923837"	521.127586	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M-H+CF3COOH"	112.985586
"1300547"	557.104264	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Cl+CF3COOH"	148.962264
"1379801"	373.129324	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H-2H2O"	-35.012676
"1396203"	391.1393	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H-H2O"	-17.0027
"294796"	817.291276	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+H"	1.007276
"683939"	1225.433276	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+H"	1.007276
"1362476"	409.149276	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H"	1.007276
"137553"	409.149276	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+2H"	2.014552
"578207"	613.220276	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+2H"	2.014552
"1047005"	205.078276	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2H"	2.014552
"209801"	273.101942666667	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+3H"	3.021828
"650091"	409.149276	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+3H"	3.021828
"1170404"	137.054609333333	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+3H"	3.021828
"435876"	834.317823	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+NH4"	18.033823
"797963"	1242.459823	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+NH4"	18.033823
"1692478"	426.175823	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+NH4"	18.033823
"341483"	417.6625495	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+H+NH4"	19.041099
"733905"	621.7335495	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+H+NH4"	19.041099
"1486631"	213.5915495	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H+NH4"	19.041099
"399844"	839.273218	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+Na"	22.989218
"763025"	1247.415218	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+Na"	22.989218
"1611125"	431.131218	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Na"	22.989218
"316788"	420.140247	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+H+Na"	23.996494
"708235"	624.211247	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+H+Na"	23.996494
"1461894"	216.069247	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H+Na"	23.996494
"1057369"	144.381923333333	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2H+Na"	25.00377
"1266702"	441.175486	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+CH3OH+H"	33.033486
"383090"	855.247158	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+K"	38.963158
"751010"	1263.389158	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+K"	38.963158
"1550509"	447.105158	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+K"	38.963158
"303312"	428.127217	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+H+K"	39.970434
"695733"	632.198217	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+H+K"	39.970434
"1455023"	224.056217	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H+K"	39.970434
"244719"	858.317826	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+ACN+H"	42.033826
"1223630"	450.175826	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+ACN+H"	42.033826
"1206418"	225.591551	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+ACN+2H"	43.041102
"202812"	861.25516	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+2Na-H"	44.97116
"640309"	1269.39716	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+2Na-H"	44.97116
"1140535"	453.11316	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2Na-H"	44.97116
"186011"	431.131218	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+2Na"	45.978436
"628131"	635.202218	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+2Na"	45.978436
"1126892"	227.060218	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2Na"	45.978436
"1407135"	151.709237333333	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H+2Na"	46.985712
"1444727"	455.154746	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H+HCOOH"	47.012746
"234177"	436.16424	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+3H2O+2H"	56.04448
"1523334"	469.20679	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+IsoProp+H"	61.06479
"420718"	439.118188	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+Na+K"	61.952376
"780979"	643.189188	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+Na+K"	61.952376
"1677676"	235.047188	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Na+K"	61.952376
"265896"	880.299768	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+ACN+Na"	64.015768
"1236905"	472.157768	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+ACN+Na"	64.015768
"1727254"	472.181293	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+NH4+HCOOH"	64.039293
"1192243"	159.036551333333	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+3Na"	68.967654
"1660678"	477.136688	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Na+HCOOH"	68.994688
"159883"	893.20304	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+2K-H"	76.91904
"598351"	1301.34504	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+2K-H"	76.91904
"1084442"	485.06104	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2K-H"	76.91904
"144054"	447.105158	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"2M+2K"	77.926316
"581909"	651.176158	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"3M+2K"	77.926316
"1068893"	243.034158	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2K"	77.926316
"1100725"	487.075592	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2K+H"	78.933592
"1338815"	487.163207	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+DMSO+H"	79.021207
"1005882"	491.202376	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2ACN+H"	83.060376
"1527656"	492.196008	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+IsoProp+Na+H"	84.054008
"991187"	246.104826	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+2ACN+2H"	84.067652
"1587515"	493.110628	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+K+HCOOH"	84.968628
"1420836"	523.142138	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+H+CF3COOH"	115.000138
"1151125"	266.618101	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+3ACN+2H"	125.094202
"1697516"	540.168685	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+NH4+CF3COOH"	132.026685
"1641795"	545.12408	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+Na+CF3COOH"	136.98208
"1571611"	561.09802	"C07601"	"Ginkgolide A"	"C20H24O9"	"408.142"	"M+K+CF3COOH"	152.95602
"815833"	424.1369	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M"	0
"986817"	405.11851	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-H2O-H"	-19.01839
"73967"	281.750657333333	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M-3H"	-3.021828
"511339"	423.129624	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M-3H"	-3.021828
"885859"	140.371690666667	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-3H"	-3.021828
"4432"	423.129624	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M-2H"	-2.014552
"446180"	635.198074	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M-2H"	-2.014552
"821798"	211.061174	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-2H"	-2.014552
"79601"	847.266524	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M-H"	-1.007276
"526819"	1271.403424	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M-H"	-1.007276
"902433"	423.129624	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-H"	-1.007276
"54984"	864.293071	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M-2H+NH4"	16.019271
"499651"	1288.429971	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M-2H+NH4"	16.019271
"869433"	440.156171	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-2H+NH4"	16.019271
"39886"	869.248466	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M-2H+Na"	20.974666
"483458"	1293.385366	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M-2H+Na"	20.974666
"860531"	445.111566	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-2H+Na"	20.974666
"1629702"	445.111566	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Na-2H"	20.974666
"106593"	441.117963	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M-H+Cl"	33.962126
"547251"	653.186413	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M-H+Cl"	33.962126
"937485"	229.049513	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-H+Cl"	33.962126
"280415"	883.243202	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+Cl"	34.969402
"673563"	1307.380102	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+Cl"	34.969402
"1286699"	459.106302	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Cl"	34.969402
"28889"	885.222406	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M-2H+K"	36.948606
"468814"	1309.359306	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M-2H+K"	36.948606
"846617"	461.085506	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-2H+K"	36.948606
"1565363"	461.085506	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+K-2H"	36.948606
"948870"	469.135094	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-H+HCOOH"	44.998194
"371457"	893.272001	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+HCOOH-H"	44.998201
"353157"	907.287651	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+Hac-H"	59.013851
"1507828"	483.150751	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Hac-H"	59.013851
"974095"	491.117051	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-H+NaCOOH"	66.980151
"124645"	459.106302	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+2Cl"	69.938804
"565179"	671.174752	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+2Cl"	69.938804
"1031180"	247.037852	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2Cl"	69.938804
"1254040"	503.055785	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Br"	78.918885
"1318310"	505.111772	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Cl+HCOOH"	80.974872
"1335083"	527.093729	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Cl+NaCOOH"	102.956829
"921760"	537.122486	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M-H+CF3COOH"	112.985586
"1302482"	573.099164	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Cl+CF3COOH"	148.962264
"1381736"	389.124224	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H-2H2O"	-35.012676
"1395220"	407.1342	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H-H2O"	-17.0027
"294906"	849.281076	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+H"	1.007276
"681862"	1273.417976	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+H"	1.007276
"1361493"	425.144176	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H"	1.007276
"138756"	425.144176	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+2H"	2.014552
"577223"	637.212626	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+2H"	2.014552
"1042742"	213.075726	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2H"	2.014552
"208454"	283.765209333333	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+3H"	3.021828
"649108"	425.144176	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+3H"	3.021828
"1167235"	142.386242666667	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+3H"	3.021828
"437081"	866.307623	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+NH4"	18.033823
"795886"	1290.444523	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+NH4"	18.033823
"1695139"	442.170723	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+NH4"	18.033823
"339409"	433.6574495	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+H+NH4"	19.041099
"734014"	645.7258995	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+H+NH4"	19.041099
"1490024"	221.5889995	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H+NH4"	19.041099
"401047"	871.263018	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+Na"	22.989218
"765322"	1295.399918	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+Na"	22.989218
"1614515"	447.126118	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Na"	22.989218
"316898"	436.135147	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+H+Na"	23.996494
"711505"	648.203597	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+H+Na"	23.996494
"1462533"	224.066697	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H+Na"	23.996494
"1058573"	149.713556666667	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2H+Na"	25.00377
"1267906"	457.170386	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+CH3OH+H"	33.033486
"385387"	887.236958	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+K"	38.963158
"751120"	1311.373858	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+K"	38.963158
"1551712"	463.100058	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+K"	38.963158
"304515"	444.122117	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+H+K"	39.970434
"695843"	656.190567	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+H+K"	39.970434
"1455133"	232.053667	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H+K"	39.970434
"247747"	890.307626	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+ACN+H"	42.033826
"1224226"	466.170726	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+ACN+H"	42.033826
"1204705"	233.589001	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+ACN+2H"	43.041102
"199763"	893.24496	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+2Na-H"	44.97116
"638232"	1317.38186	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+2Na-H"	44.97116
"1139551"	469.10806	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2Na-H"	44.97116
"186121"	447.126118	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+2Na"	45.978436
"627632"	659.194568	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+2Na"	45.978436
"1128096"	235.057668	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2Na"	45.978436
"1409433"	157.040870666667	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H+2Na"	46.985712
"1445002"	471.149646	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H+HCOOH"	47.012746
"234771"	452.15914	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+3H2O+2H"	56.04448
"1523201"	485.20169	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+IsoProp+H"	61.06479
"420095"	455.113088	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+Na+K"	61.952376
"784369"	667.181538	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+Na+K"	61.952376
"1679241"	243.044638	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Na+K"	61.952376
"265399"	912.289568	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+ACN+Na"	64.015768
"1237379"	488.152668	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+ACN+Na"	64.015768
"1726269"	488.176193	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+NH4+HCOOH"	64.039293
"1190164"	164.368184666667	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+3Na"	68.967654
"1657508"	493.131588	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Na+HCOOH"	68.994688
"163275"	925.19284	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+2K-H"	76.91904
"598826"	1349.32974	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+2K-H"	76.91904
"1084310"	501.05594	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2K-H"	76.91904
"142463"	463.100058	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"2M+2K"	77.926316
"581657"	675.168508	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"3M+2K"	77.926316
"1068841"	251.031608	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2K"	77.926316
"1100022"	503.070492	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2K+H"	78.933592
"1335802"	503.158107	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+DMSO+H"	79.021207
"1007208"	507.197276	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2ACN+H"	83.060376
"1527765"	508.190908	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+IsoProp+Na+H"	84.054008
"990362"	254.102276	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+2ACN+2H"	84.067652
"1587989"	509.105528	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+K+HCOOH"	84.968628
"1417664"	539.137038	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+H+CF3COOH"	115.000138
"1151235"	274.615551	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+3ACN+2H"	125.094202
"1697259"	556.163585	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+NH4+CF3COOH"	132.026685
"1641905"	561.11898	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+Na+CF3COOH"	136.98208
"1571517"	577.09292	"C07602"	"Ginkgolide B"	"C20H24O10"	"424.1369"	"M+K+CF3COOH"	152.95602
"816639"	440.1319	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M"	0
"981460"	421.11351	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-H2O-H"	-19.01839
"72982"	292.413990666667	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M-3H"	-3.021828
"512542"	439.124624	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M-3H"	-3.021828
"891435"	145.703357333333	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-3H"	-3.021828
"7822"	439.124624	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M-2H"	-2.014552
"447383"	659.190574	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M-2H"	-2.014552
"819720"	219.058674	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-2H"	-2.014552
"79949"	879.256524	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M-H"	-1.007276
"521824"	1319.388424	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M-H"	-1.007276
"899627"	439.124624	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-H"	-1.007276
"49018"	896.283071	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M-2H+NH4"	16.019271
"499761"	1336.414971	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M-2H+NH4"	16.019271
"870272"	456.151171	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-2H+NH4"	16.019271
"39996"	901.238466	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M-2H+Na"	20.974666
"481745"	1341.370366	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M-2H+Na"	20.974666
"858454"	461.106566	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-2H+Na"	20.974666
"1632726"	461.106566	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Na-2H"	20.974666
"107433"	457.112963	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M-H+Cl"	33.962126
"547356"	677.178913	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M-H+Cl"	33.962126
"941965"	237.047013	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-H+Cl"	33.962126
"280521"	915.233202	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+Cl"	34.969402
"673672"	1355.365102	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+Cl"	34.969402
"1286442"	475.101302	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Cl"	34.969402
"30091"	917.212406	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M-2H+K"	36.948606
"467465"	1357.344306	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M-2H+K"	36.948606
"846360"	477.080506	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-2H+K"	36.948606
"1566566"	477.080506	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+K-2H"	36.948606
"947886"	485.130094	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-H+HCOOH"	44.998194
"368287"	925.262001	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+HCOOH-H"	44.998201
"354360"	939.277651	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+Hac-H"	59.013851
"1507698"	499.145751	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Hac-H"	59.013851
"973660"	507.112051	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-H+NaCOOH"	66.980151
"121841"	475.101302	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+2Cl"	69.938804
"565650"	695.167252	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+2Cl"	69.938804
"1036397"	255.035352	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2Cl"	69.938804
"1256094"	519.050785	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Br"	78.918885
"1317690"	521.106772	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Cl+HCOOH"	80.974872
"1335516"	543.088729	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Cl+NaCOOH"	102.956829
"921870"	553.117486	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M-H+CF3COOH"	112.985586
"1302956"	589.094164	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Cl+CF3COOH"	148.962264
"1380023"	405.119224	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H-2H2O"	-35.012676
"1394237"	423.1292	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H-H2O"	-17.0027
"291737"	881.271076	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+H"	1.007276
"681972"	1321.402976	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+H"	1.007276
"1364883"	441.139176	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H"	1.007276
"137773"	441.139176	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+2H"	2.014552
"577333"	661.205126	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+2H"	2.014552
"1045039"	221.073226	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2H"	2.014552
"206741"	294.428542666667	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+3H"	3.021828
"649219"	441.139176	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+3H"	3.021828
"1168439"	147.717909333333	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+3H"	3.021828
"438649"	898.297623	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+NH4"	18.033823
"795996"	1338.429523	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+NH4"	18.033823
"1692334"	458.165723	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+NH4"	18.033823
"340612"	449.6524495	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+H+NH4"	19.041099
"733033"	669.7183995	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+H+NH4"	19.041099
"1489041"	229.5864995	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H+NH4"	19.041099
"402250"	903.253018	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+Na"	22.989218
"765432"	1343.384918	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+Na"	22.989218
"1612440"	463.121118	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Na"	22.989218
"317008"	452.130147	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+H+Na"	23.996494
"709428"	672.196097	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+H+Na"	23.996494
"1463251"	232.064197	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H+Na"	23.996494
"1059777"	155.045223333333	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2H+Na"	25.00377
"1268745"	473.165386	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+CH3OH+H"	33.033486
"385497"	919.226958	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+K"	38.963158
"746490"	1359.358858	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+K"	38.963158
"1549635"	479.095058	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+K"	38.963158
"303531"	460.117117	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+H+K"	39.970434
"697046"	680.183067	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+H+K"	39.970434
"1457430"	240.051167	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H+K"	39.970434
"246035"	922.297626	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+ACN+H"	42.033826
"1218745"	482.165726	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+ACN+H"	42.033826
"1201536"	241.586501	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+ACN+2H"	43.041102
"195499"	925.23496	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+2Na-H"	44.97116
"637248"	1365.36686	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+2Na-H"	44.97116
"1138569"	485.10306	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2Na-H"	44.97116
"182952"	463.121118	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+2Na"	45.978436
"627983"	683.187068	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+2Na"	45.978436
"1127112"	243.055168	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2Na"	45.978436
"1407356"	162.372537333333	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H+2Na"	46.985712
"1445394"	487.144646	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H+HCOOH"	47.012746
"234273"	468.15414	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+3H2O+2H"	56.04448
"1523678"	501.19669	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+IsoProp+H"	61.06479
"420205"	471.108088	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+Na+K"	61.952376
"783385"	691.174038	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+Na+K"	61.952376
"1677529"	251.042138	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Na+K"	61.952376
"266602"	944.279568	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+ACN+Na"	64.015768
"1237852"	504.147668	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+ACN+Na"	64.015768
"1727109"	504.171193	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+NH4+HCOOH"	64.039293
"1190638"	169.699851333333	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+3Na"	68.967654
"1661993"	509.126588	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Na+HCOOH"	68.994688
"162291"	957.18284	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+2K-H"	76.91904
"599664"	1397.31474	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+2K-H"	76.91904
"1085272"	517.05094	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2K-H"	76.91904
"142087"	479.095058	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"2M+2K"	77.926316
"582741"	699.161008	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"3M+2K"	77.926316
"1069072"	259.029108	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2K"	77.926316
"1100580"	519.065492	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2K+H"	78.933592
"1342314"	519.153107	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+DMSO+H"	79.021207
"1008657"	523.192276	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2ACN+H"	83.060376
"1526782"	524.185908	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+IsoProp+Na+H"	84.054008
"990430"	262.099776	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+2ACN+2H"	84.067652
"1587735"	525.100528	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+K+HCOOH"	84.968628
"1415222"	555.132038	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+H+CF3COOH"	115.000138
"1151345"	282.613051	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+3ACN+2H"	125.094202
"1697249"	572.158585	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+NH4+CF3COOH"	132.026685
"1642015"	577.11398	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+Na+CF3COOH"	136.98208
"1573291"	593.08792	"C07603"	"Ginkgolide C;BN 52022"	"C20H24O11"	"440.1319"	"M+K+CF3COOH"	152.95602
"816963"	424.1369	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M"	0
"983756"	405.11851	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-H2O-H"	-19.01839
"76372"	281.750657333333	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M-3H"	-3.021828
"513746"	423.129624	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M-3H"	-3.021828
"888265"	140.371690666667	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-3H"	-3.021828
"9028"	423.129624	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M-2H"	-2.014552
"447494"	635.198074	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M-2H"	-2.014552
"820923"	211.061174	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-2H"	-2.014552
"80913"	847.266524	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M-H"	-1.007276
"521932"	1271.403424	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M-H"	-1.007276
"901559"	423.129624	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-H"	-1.007276
"57027"	864.293071	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M-2H+NH4"	16.019271
"499871"	1288.429971	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M-2H+NH4"	16.019271
"869653"	440.156171	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-2H+NH4"	16.019271
"40106"	869.248466	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M-2H+Na"	20.974666
"485135"	1293.385366	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M-2H+Na"	20.974666
"862940"	445.111566	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-2H+Na"	20.974666
"1630288"	445.111566	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Na-2H"	20.974666
"109127"	441.117963	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M-H+Cl"	33.962126
"548562"	653.186413	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M-H+Cl"	33.962126
"942775"	229.049513	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-H+Cl"	33.962126
"282293"	883.243202	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+Cl"	34.969402
"675654"	1307.380102	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+Cl"	34.969402
"1288294"	459.106302	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Cl"	34.969402
"30201"	885.222406	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M-2H+K"	36.948606
"469761"	1309.359306	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M-2H+K"	36.948606
"848431"	461.085506	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-2H+K"	36.948606
"1569956"	461.085506	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+K-2H"	36.948606
"956744"	469.135094	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-H+HCOOH"	44.998194
"372771"	893.272001	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+HCOOH-H"	44.998201
"355563"	907.287651	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+Hac-H"	59.013851
"1505130"	483.150751	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Hac-H"	59.013851
"973933"	491.117051	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-H+NaCOOH"	66.980151
"125543"	459.106302	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+2Cl"	69.938804
"565638"	671.174752	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+2Cl"	69.938804
"1037050"	247.037852	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2Cl"	69.938804
"1256082"	503.055785	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Br"	78.918885
"1315613"	505.111772	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Cl+HCOOH"	80.974872
"1335577"	527.093729	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Cl+NaCOOH"	102.956829
"925259"	537.122486	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M-H+CF3COOH"	112.985586
"1304156"	573.099164	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Cl+CF3COOH"	148.962264
"1381591"	389.124224	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H-2H2O"	-35.012676
"1395440"	407.1342	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H-H2O"	-17.0027
"297313"	849.281076	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+H"	1.007276
"683175"	1273.417976	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+H"	1.007276
"1364993"	425.144176	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H"	1.007276
"135698"	425.144176	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+2H"	2.014552
"576352"	637.212626	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+2H"	2.014552
"1047337"	213.075726	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2H"	2.014552
"213050"	283.765209333333	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+3H"	3.021828
"650423"	425.144176	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+3H"	3.021828
"1174016"	142.386242666667	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+3H"	3.021828
"439411"	866.307623	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+NH4"	18.033823
"801256"	1290.444523	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+NH4"	18.033823
"1694995"	442.170723	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+NH4"	18.033823
"342910"	433.6574495	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+H+NH4"	19.041099
"734236"	645.7258995	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+H+NH4"	19.041099
"1490243"	221.5889995	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H+NH4"	19.041099
"406737"	871.263018	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+Na"	22.989218
"767730"	1295.399918	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+Na"	22.989218
"1612550"	447.126118	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Na"	22.989218
"318211"	436.135147	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+H+Na"	23.996494
"715004"	648.203597	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+H+Na"	23.996494
"1465549"	224.066697	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H+Na"	23.996494
"1059887"	149.713556666667	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2H+Na"	25.00377
"1269586"	457.170386	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+CH3OH+H"	33.033486
"391076"	887.236958	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+K"	38.963158
"750247"	1311.373858	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+K"	38.963158
"1553395"	463.100058	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+K"	38.963158
"310571"	444.122117	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+H+K"	39.970434
"703717"	656.190567	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+H+K"	39.970434
"1459366"	232.053667	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H+K"	39.970434
"245051"	890.307626	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+ACN+H"	42.033826
"1217762"	466.170726	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+ACN+H"	42.033826
"1200552"	233.589001	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+ACN+2H"	43.041102
"197796"	893.24496	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+2Na-H"	44.97116
"634078"	1317.38186	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+2Na-H"	44.97116
"1141958"	469.10806	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2Na-H"	44.97116
"180145"	447.126118	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+2Na"	45.978436
"628333"	659.194568	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+2Na"	45.978436
"1124305"	235.057668	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2Na"	45.978436
"1407466"	157.040870666667	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H+2Na"	46.985712
"1445053"	471.149646	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H+HCOOH"	47.012746
"235630"	452.15914	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+3H2O+2H"	56.04448
"1523745"	485.20169	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+IsoProp+H"	61.06479
"421408"	455.113088	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+Na+K"	61.952376
"782405"	667.181538	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+Na+K"	61.952376
"1679101"	243.044638	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Na+K"	61.952376
"265619"	912.289568	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+ACN+Na"	64.015768
"1237963"	488.152668	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+ACN+Na"	64.015768
"1727461"	488.176193	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+NH4+HCOOH"	64.039293
"1190748"	164.368184666667	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+3Na"	68.967654
"1663198"	493.131588	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Na+HCOOH"	68.994688
"164590"	925.19284	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+2K-H"	76.91904
"603056"	1349.32974	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+2K-H"	76.91904
"1087203"	501.05594	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2K-H"	76.91904
"141947"	463.100058	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"2M+2K"	77.926316
"582970"	675.168508	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"3M+2K"	77.926316
"1073923"	251.031608	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2K"	77.926316
"1107133"	503.070492	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2K+H"	78.933592
"1337684"	503.158107	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+DMSO+H"	79.021207
"1018611"	507.197276	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2ACN+H"	83.060376
"1532360"	508.190908	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+IsoProp+Na+H"	84.054008
"993341"	254.102276	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+2ACN+2H"	84.067652
"1591126"	509.105528	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+K+HCOOH"	84.968628
"1416790"	539.137038	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+H+CF3COOH"	115.000138
"1153642"	274.615551	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+3ACN+2H"	125.094202
"1699183"	556.163585	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+NH4+CF3COOH"	132.026685
"1638844"	561.11898	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+Na+CF3COOH"	136.98208
"1573765"	577.09292	"C07604"	"Ginkgolide J;BN 52024"	"C20H24O10"	"424.1369"	"M+K+CF3COOH"	152.95602
"816043"	326.1002	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M"	0
"984959"	307.08181	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-H2O-H"	-19.01839
"76482"	216.392857333333	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M-3H"	-3.021828
"516042"	325.092924	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M-3H"	-3.021828
"890562"	107.692790666667	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-3H"	-3.021828
"9137"	325.092924	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M-2H"	-2.014552
"446511"	488.143024	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M-2H"	-2.014552
"823220"	162.042824	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-2H"	-2.014552
"83210"	651.193124	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M-H"	-1.007276
"520949"	977.293324	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M-H"	-1.007276
"902762"	325.092924	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-H"	-1.007276
"54951"	668.219671	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M-2H+NH4"	16.019271
"498888"	994.319871	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M-2H+NH4"	16.019271
"868670"	342.119471	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-2H+NH4"	16.019271
"40216"	673.175066	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M-2H+Na"	20.974666
"485246"	999.275266	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M-2H+Na"	20.974666
"861957"	347.074866	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-2H+Na"	20.974666
"1631491"	347.074866	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Na-2H"	20.974666
"108021"	343.081263	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M-H+Cl"	33.962126
"549281"	506.131363	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M-H+Cl"	33.962126
"942759"	180.031163	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-H+Cl"	33.962126
"278554"	687.169802	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+Cl"	34.969402
"669882"	1013.270002	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+Cl"	34.969402
"1283379"	361.069602	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Cl"	34.969402
"29216"	689.149006	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M-2H+K"	36.948606
"467685"	1015.249206	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M-2H+K"	36.948606
"843299"	363.048806	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-2H+K"	36.948606
"1567879"	363.048806	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+K-2H"	36.948606
"950292"	371.098394	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-H+HCOOH"	44.998194
"368507"	697.198601	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+HCOOH-H"	44.998201
"352393"	711.214251	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+Hac-H"	59.013851
"1505240"	385.114051	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Hac-H"	59.013851
"973149"	393.080351	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-H+NaCOOH"	66.980151
"124609"	361.069602	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+2Cl"	69.938804
"565260"	524.119702	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+2Cl"	69.938804
"1036857"	198.019502	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2Cl"	69.938804
"1255462"	405.019085	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Br"	78.918885
"1318274"	407.075072	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Cl+HCOOH"	80.974872
"1331031"	429.057029	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Cl+NaCOOH"	102.956829
"920996"	439.085786	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M-H+CF3COOH"	112.985586
"1293328"	475.062464	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Cl+CF3COOH"	148.962264
"1376959"	291.087524	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H-2H2O"	-35.012676
"1383315"	309.0975	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H-H2O"	-17.0027
"291955"	653.207676	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+H"	1.007276
"678911"	979.307876	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+H"	1.007276
"1361822"	327.107476	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H"	1.007276
"133621"	327.107476	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+2H"	2.014552
"574274"	490.157576	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+2H"	2.014552
"1047447"	164.057376	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2H"	2.014552
"213160"	218.407409333333	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+3H"	3.021828
"650533"	327.107476	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+3H"	3.021828
"1171939"	109.707342666667	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+3H"	3.021828
"438506"	670.234223	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+NH4"	18.033823
"799500"	996.334423	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+NH4"	18.033823
"1692917"	344.134023	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+NH4"	18.033823
"339739"	335.6207495	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+H+NH4"	19.041099
"731065"	498.6708495	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+H+NH4"	19.041099
"1485980"	172.5706495	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H+NH4"	19.041099
"402474"	675.189618	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+Na"	22.989218
"762375"	1001.289818	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+Na"	22.989218
"1610473"	349.089418	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Na"	22.989218
"315524"	338.098447	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+H+Na"	23.996494
"711834"	501.148547	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+H+Na"	23.996494
"1462132"	175.048347	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H+Na"	23.996494
"1055623"	117.034656666667	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2H+Na"	25.00377
"1264955"	359.133686	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+CH3OH+H"	33.033486
"385354"	691.163558	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+K"	38.963158
"748534"	1017.263758	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+K"	38.963158
"1553503"	365.063358	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+K"	38.963158
"311772"	346.085417	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+H+K"	39.970434
"703463"	509.135517	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+H+K"	39.970434
"1456555"	183.035317	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H+K"	39.970434
"246250"	694.234226	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+ACN+H"	42.033826
"1216776"	368.134026	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+ACN+H"	42.033826
"1200658"	184.570651	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+ACN+2H"	43.041102
"193532"	697.17156	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+2Na-H"	44.97116
"637468"	1023.27176	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+2Na-H"	44.97116
"1146200"	371.07136	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2Na-H"	44.97116
"183171"	349.089418	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+2Na"	45.978436
"628242"	512.139518	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+2Na"	45.978436
"1124052"	186.039318	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2Na"	45.978436
"1406483"	124.361970666667	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H+2Na"	46.985712
"1445369"	373.112946	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H+HCOOH"	47.012746
"234493"	354.12244	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+3H2O+2H"	56.04448
"1523611"	387.16499	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+IsoProp+H"	61.06479
"421155"	357.076388	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+Na+K"	61.952376
"783605"	520.126488	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+Na+K"	61.952376
"1679935"	194.026288	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Na+K"	61.952376
"265362"	716.216168	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+ACN+Na"	64.015768
"1235886"	390.115968	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+ACN+Na"	64.015768
"1727571"	390.139493	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+NH4+HCOOH"	64.039293
"1189036"	131.689284666667	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+3Na"	68.967654
"1665254"	395.094888	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Na+HCOOH"	68.994688
"165793"	729.11944	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+2K-H"	76.91904
"604260"	1055.21964	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+2K-H"	76.91904
"1086949"	403.01924	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2K-H"	76.91904
"142671"	365.063358	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"2M+2K"	77.926316
"582960"	528.113458	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"3M+2K"	77.926316
"1079501"	202.013258	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2K"	77.926316
"1110524"	405.033792	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2K+H"	78.933592
"1340348"	405.121407	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+DMSO+H"	79.021207
"1018723"	409.160576	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2ACN+H"	83.060376
"1532470"	410.154208	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+IsoProp+Na+H"	84.054008
"994545"	205.083926	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+2ACN+2H"	84.067652
"1592330"	411.068828	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+K+HCOOH"	84.968628
"1419087"	441.100338	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+H+CF3COOH"	115.000138
"1151565"	225.597201	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+3ACN+2H"	125.094202
"1699293"	458.126885	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+NH4+CF3COOH"	132.026685
"1638954"	463.08228	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+Na+CF3COOH"	136.98208
"1573875"	479.05622	"C07605"	"Bilobalide"	"C15H18O8"	"326.1002"	"M+K+CF3COOH"	152.95602
"816276"	504.0845	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M"	0
"986163"	485.06611	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-H2O-H"	-19.01839
"74406"	335.049057333333	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M-3H"	-3.021828
"516881"	503.077224	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M-3H"	-3.021828
"885206"	167.020890666667	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-3H"	-3.021828
"5968"	503.077224	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M-2H"	-2.014552
"446621"	755.119474	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M-2H"	-2.014552
"822237"	251.034974	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-2H"	-2.014552
"82227"	1007.161724	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M-H"	-1.007276
"522516"	1511.246224	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M-H"	-1.007276
"900320"	503.077224	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-H"	-1.007276
"53967"	1024.188271	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M-2H+NH4"	16.019271
"495717"	1528.272771	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M-2H+NH4"	16.019271
"868416"	520.103771	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-2H+NH4"	16.019271
"40326"	1029.143666	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M-2H+Na"	20.974666
"479888"	1533.228166	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M-2H+Na"	20.974666
"862066"	525.059166	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-2H+Na"	20.974666
"1633057"	525.059166	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Na-2H"	20.974666
"107035"	521.065563	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M-H+Cl"	33.962126
"547688"	773.107813	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M-H+Cl"	33.962126
"941324"	269.023313	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-H+Cl"	33.962126
"279757"	1043.138402	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+Cl"	34.969402
"669991"	1547.222902	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+Cl"	34.969402
"1284580"	539.053902	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Cl"	34.969402
"27138"	1045.117606	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M-2H+K"	36.948606
"467793"	1549.202106	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M-2H+K"	36.948606
"840128"	541.033106	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-2H+K"	36.948606
"1561428"	541.033106	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+K-2H"	36.948606
"948216"	549.082694	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-H+HCOOH"	44.998194
"364244"	1053.167201	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+HCOOH-H"	44.998201
"351410"	1067.182851	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+Hac-H"	59.013851
"1504621"	563.098351	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Hac-H"	59.013851
"973257"	571.064651	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-H+NaCOOH"	66.980151
"123990"	539.053902	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+2Cl"	69.938804
"564279"	791.096152	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+2Cl"	69.938804
"1036360"	287.011652	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2Cl"	69.938804
"1253386"	583.003385	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Br"	78.918885
"1318627"	585.059372	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Cl+HCOOH"	80.974872
"1331141"	607.041329	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Cl+NaCOOH"	102.956829
"921106"	617.070086	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M-H+CF3COOH"	112.985586
"1293439"	653.046764	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Cl+CF3COOH"	148.962264
"1371600"	469.071824	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H-2H2O"	-35.012676
"1385817"	487.0818	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H-H2O"	-17.0027
"292065"	1009.176276	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+H"	1.007276
"680114"	1513.260776	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+H"	1.007276
"1355371"	505.091776	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H"	1.007276
"133731"	505.091776	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+2H"	2.014552
"570374"	757.134026	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+2H"	2.014552
"1048650"	253.049526	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2H"	2.014552
"213270"	337.063609333333	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+3H"	3.021828
"650643"	505.091776	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+3H"	3.021828
"1173142"	169.035442666667	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+3H"	3.021828
"433139"	1026.202823	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+NH4"	18.033823
"794132"	1530.287323	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+NH4"	18.033823
"1691561"	522.118323	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+NH4"	18.033823
"340578"	513.6050495	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+H+NH4"	19.041099
"731177"	765.6472995	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+H+NH4"	19.041099
"1487184"	261.5627995	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H+NH4"	19.041099
"403676"	1031.158218	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+Na"	22.989218
"766491"	1535.242718	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+Na"	22.989218
"1613861"	527.073718	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Na"	22.989218
"316244"	516.082747	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+H+Na"	23.996494
"714131"	768.124997	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+H+Na"	23.996494
"1462488"	264.040497	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H+Na"	23.996494
"1060107"	176.362756666667	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2H+Na"	25.00377
"1266159"	537.117986	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+CH3OH+H"	33.033486
"387650"	1047.132158	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+K"	38.963158
"751194"	1551.216658	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+K"	38.963158
"1552885"	543.047658	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+K"	38.963158
"311517"	524.069717	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+H+K"	39.970434
"703573"	776.111967	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+H+K"	39.970434
"1456665"	272.027467	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H+K"	39.970434
"246360"	1050.202826	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+ACN+H"	42.033826
"1219071"	546.118326	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+ACN+H"	42.033826
"1205140"	273.562801	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+ACN+2H"	43.041102
"196922"	1053.14016	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+2Na-H"	44.97116
"636485"	1557.22466	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+2Na-H"	44.97116
"1145460"	549.05566	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2Na-H"	44.97116
"187051"	527.073718	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+2Na"	45.978436
"625394"	779.115968	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+2Na"	45.978436
"1121975"	275.031468	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2Na"	45.978436
"1409509"	183.690070666667	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H+2Na"	46.985712
"1444183"	551.097246	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H+HCOOH"	47.012746
"233512"	532.10674	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+3H2O+2H"	56.04448
"1522669"	565.14929	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+IsoProp+H"	61.06479
"422360"	535.060688	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+Na+K"	61.952376
"781169"	787.102938	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+Na+K"	61.952376
"1677132"	283.018438	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Na+K"	61.952376
"263285"	1072.184768	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+ACN+Na"	64.015768
"1237091"	568.100268	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+ACN+Na"	64.015768
"1725980"	568.123793	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+NH4+HCOOH"	64.039293
"1189510"	191.017384666667	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+3Na"	68.967654
"1658675"	573.079188	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Na+HCOOH"	68.994688
"171369"	1085.08804	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+2K-H"	76.91904
"612682"	1589.17254	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+2K-H"	76.91904
"1086330"	581.00354	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2K-H"	76.91904
"145697"	543.047658	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"2M+2K"	77.926316
"587444"	795.089908	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"3M+2K"	77.926316
"1076331"	291.005408	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2K"	77.926316
"1110634"	583.018092	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2K+H"	78.933592
"1343738"	583.105707	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+DMSO+H"	79.021207
"1021110"	587.144876	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2ACN+H"	83.060376
"1532580"	588.138508	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+IsoProp+Na+H"	84.054008
"995748"	294.076076	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+2ACN+2H"	84.067652
"1590254"	589.053128	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+K+HCOOH"	84.968628
"1420290"	619.084638	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+H+CF3COOH"	115.000138
"1151675"	314.589351	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+3ACN+2H"	125.094202
"1701226"	636.111185	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+NH4+CF3COOH"	132.026685
"1639064"	641.06658	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+Na+CF3COOH"	136.98208
"1574714"	657.04052	"C07606"	"Hypericin"	"C30H16O8"	"504.0845"	"M+K+CF3COOH"	152.95602
"809456"	1181.573	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M"	0
"984087"	1162.55461	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-H2O-H"	-19.01839
"74517"	786.708057333333	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M-3H"	-3.021828
"515170"	1180.565724	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M-3H"	-3.021828
"885317"	392.850390666667	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-3H"	-3.021828
"10451"	1180.565724	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M-2H"	-2.014552
"442358"	1771.352224	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M-2H"	-2.014552
"820525"	589.779224	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-2H"	-2.014552
"82337"	2362.138724	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M-H"	-1.007276
"522262"	3543.711724	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M-H"	-1.007276
"897146"	1180.565724	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-H"	-1.007276
"52253"	2379.165271	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M-2H+NH4"	16.019271
"495827"	3560.738271	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M-2H+NH4"	16.019271
"873630"	1197.592271	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-2H+NH4"	16.019271
"35697"	2384.120666	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M-2H+Na"	20.974666
"484008"	3565.693666	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M-2H+Na"	20.974666
"860717"	1202.547666	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-2H+Na"	20.974666
"1632437"	1202.547666	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Na-2H"	20.974666
"108238"	1198.554063	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M-H+Cl"	33.962126
"547313"	1789.340563	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M-H+Cl"	33.962126
"940705"	607.767563	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-H+Cl"	33.962126
"278774"	2398.115402	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+Cl"	34.969402
"672654"	3579.688402	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+Cl"	34.969402
"1285784"	1216.542402	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Cl"	34.969402
"27248"	2400.094606	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M-2H+K"	36.948606
"468997"	3581.667606	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M-2H+K"	36.948606
"841331"	1218.521606	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-2H+K"	36.948606
"1563725"	1218.521606	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+K-2H"	36.948606
"949420"	1226.571194	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-H+HCOOH"	44.998194
"368730"	2408.144201	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+HCOOH-H"	44.998201
"350426"	2422.159851	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+Hac-H"	59.013851
"1503638"	1240.586851	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Hac-H"	59.013851
"971180"	1248.553151	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-H+NaCOOH"	66.980151
"120822"	1216.542402	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+2Cl"	69.938804
"556372"	1807.328902	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+2Cl"	69.938804
"1029547"	625.755902	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2Cl"	69.938804
"1250217"	1260.491885	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Br"	78.918885
"1316674"	1262.547872	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Cl+HCOOH"	80.974872
"1331252"	1284.529829	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Cl+NaCOOH"	102.956829
"920123"	1294.558586	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M-H+CF3COOH"	112.985586
"1297921"	1330.535264	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Cl+CF3COOH"	148.962264
"1373897"	1146.560324	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H-2H2O"	-35.012676
"1387021"	1164.5703	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H-H2O"	-17.0027
"286709"	2364.153276	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+H"	1.007276
"677065"	3545.726276	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+H"	1.007276
"1355481"	1182.580276	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H"	1.007276
"136025"	1182.580276	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+2H"	2.014552
"574493"	1773.366776	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+2H"	2.014552
"1047305"	591.793776	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2H"	2.014552
"212287"	788.722609333333	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+3H"	3.021828
"650754"	1182.580276	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+3H"	3.021828
"1171066"	394.864942666667	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+3H"	3.021828
"428877"	2381.179823	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+NH4"	18.033823
"793149"	3562.752823	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+NH4"	18.033823
"1686206"	1199.606823	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+NH4"	18.033823
"343237"	1191.0935495	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+H+NH4"	19.041099
"734567"	1781.8800495	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+H+NH4"	19.041099
"1489480"	600.3070495	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H+NH4"	19.041099
"404879"	2386.135218	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+Na"	22.989218
"765510"	3567.708218	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+Na"	22.989218
"1612515"	1204.562218	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Na"	22.989218
"319635"	1193.571247	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+H+Na"	23.996494
"713149"	1784.357747	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+H+Na"	23.996494
"1465879"	602.784747	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H+Na"	23.996494
"1055114"	402.192256666667	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2H+Na"	25.00377
"1267728"	1214.606486	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+CH3OH+H"	33.033486
"386667"	2402.109158	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+K"	38.963158
"750576"	3583.682158	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+K"	38.963158
"1552995"	1220.536158	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+K"	38.963158
"311994"	1201.558217	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+H+K"	39.970434
"701861"	1792.344717	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+H+K"	39.970434
"1456775"	610.771717	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H+K"	39.970434
"246470"	2405.179826	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+ACN+H"	42.033826
"1220275"	1223.606826	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+ACN+H"	42.033826
"1204158"	612.307051	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+ACN+2H"	43.041102
"198126"	2408.11716	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+2Na-H"	44.97116
"639512"	3589.69016	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+2Na-H"	44.97116
"1141196"	1226.54416	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2Na-H"	44.97116
"183391"	1204.562218	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+2Na"	45.978436
"621493"	1795.348718	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+2Na"	45.978436
"1122085"	613.775718	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2Na"	45.978436
"1405610"	409.519570666667	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H+2Na"	46.985712
"1439917"	1228.585746	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H+HCOOH"	47.012746
"232164"	1209.59524	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+3H2O+2H"	56.04448
"1519861"	1242.63779	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+IsoProp+H"	61.06479
"420649"	1212.549188	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+Na+K"	61.952376
"781279"	1803.335688	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+Na+K"	61.952376
"1676152"	621.762688	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Na+K"	61.952376
"263399"	2427.161768	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+ACN+Na"	64.015768
"1237565"	1245.588768	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+ACN+Na"	64.015768
"1728322"	1245.612293	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+NH4+HCOOH"	64.039293
"1189985"	416.846884666667	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+3Na"	68.967654
"1664011"	1250.567688	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Na+HCOOH"	68.994688
"171237"	2440.06504	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+2K-H"	76.91904
"611896"	3621.63804	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+2K-H"	76.91904
"1099324"	1258.49204	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2K-H"	76.91904
"147998"	1220.536158	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"2M+2K"	77.926316
"587555"	1811.322658	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"3M+2K"	77.926316
"1074255"	629.749658	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2K"	77.926316
"1111838"	1260.506592	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2K+H"	78.933592
"1348102"	1260.594207	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+DMSO+H"	79.021207
"1020524"	1264.633376	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2ACN+H"	83.060376
"1534878"	1265.627008	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+IsoProp+Na+H"	84.054008
"994764"	632.820326	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+2ACN+2H"	84.067652
"1595829"	1266.541628	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+K+HCOOH"	84.968628
"1419303"	1296.573138	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+H+CF3COOH"	115.000138
"1151785"	653.333601	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+3ACN+2H"	125.094202
"1702428"	1313.599685	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+NH4+CF3COOH"	132.026685
"1642455"	1318.55508	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+Na+CF3COOH"	136.98208
"1574824"	1334.52902	"C07607"	"Gonadotropin-releasing hormone I;Gonadorelin;Gonadoliberin I;GnRH-I"	"C55H75N17O13"	"1181.573"	"M+K+CF3COOH"	152.95602
"816880"	536.3866	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M"	0
"986386"	517.36821	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-H2O-H"	-19.01839
"75722"	356.583790666667	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M-3H"	-3.021828
"514189"	535.379324	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M-3H"	-3.021828
"893083"	177.788257333333	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-3H"	-3.021828
"11656"	535.379324	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M-2H"	-2.014552
"450123"	803.572624	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M-2H"	-2.014552
"826832"	267.186024	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-2H"	-2.014552
"86820"	1071.765924	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M-H"	-1.007276
"526383"	1608.152524	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M-H"	-1.007276
"902362"	535.379324	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-H"	-1.007276
"54549"	1088.792471	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M-2H+NH4"	16.019271
"495937"	1625.179071	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M-2H+NH4"	16.019271
"873740"	552.405871	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-2H+NH4"	16.019271
"35077"	1093.747866	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M-2H+Na"	20.974666
"484482"	1630.134466	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M-2H+Na"	20.974666
"863584"	557.361266	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-2H+Na"	20.974666
"1631818"	557.361266	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Na-2H"	20.974666
"109525"	553.367663	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M-H+Cl"	33.962126
"549003"	821.560963	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M-H+Cl"	33.962126
"941057"	285.174363	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-H+Cl"	33.962126
"280707"	1107.742602	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+Cl"	34.969402
"672399"	1644.129202	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+Cl"	34.969402
"1284801"	571.356002	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Cl"	34.969402
"27358"	1109.721806	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M-2H+K"	36.948606
"468741"	1646.108406	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M-2H+K"	36.948606
"846905"	573.335206	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-2H+K"	36.948606
"1557635"	573.335206	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+K-2H"	36.948606
"951715"	581.384794	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-H+HCOOH"	44.998194
"371024"	1117.771401	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+HCOOH-H"	44.998201
"350536"	1131.787051	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+Hac-H"	59.013851
"1503748"	595.400451	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Hac-H"	59.013851
"969831"	603.366751	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-H+NaCOOH"	66.980151
"122020"	571.356002	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+2Cl"	69.938804
"560853"	839.549302	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+2Cl"	69.938804
"1034027"	303.162702	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2Cl"	69.938804
"1252512"	615.305485	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Br"	78.918885
"1316055"	617.361472	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Cl+HCOOH"	80.974872
"1335007"	639.343429	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Cl+NaCOOH"	102.956829
"926308"	649.372186	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M-H+CF3COOH"	112.985586
"1298033"	685.348864	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Cl+CF3COOH"	148.962264
"1375100"	501.373924	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H-2H2O"	-35.012676
"1388223"	519.3839	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H-H2O"	-17.0027
"292287"	1073.780476	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+H"	1.007276
"679242"	1610.167076	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+H"	1.007276
"1362152"	537.393876	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H"	1.007276
"135043"	537.393876	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+2H"	2.014552
"573874"	805.587176	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+2H"	2.014552
"1049604"	269.200576	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2H"	2.014552
"213498"	358.598342666667	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+3H"	3.021828
"654155"	537.393876	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+3H"	3.021828
"1174465"	179.802809333333	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+3H"	3.021828
"432267"	1090.807023	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+NH4"	18.033823
"795445"	1627.193623	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+NH4"	18.033823
"1688499"	554.420423	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+NH4"	18.033823
"338964"	545.9071495	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+H+NH4"	19.041099
"730295"	814.1004495	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+H+NH4"	19.041099
"1488492"	277.7138495	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H+NH4"	19.041099
"406809"	1095.762418	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+Na"	22.989218
"767081"	1632.149018	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+Na"	22.989218
"1616270"	559.375818	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Na"	22.989218
"320838"	548.384847	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+H+Na"	23.996494
"714354"	816.578147	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+H+Na"	23.996494
"1471458"	280.191547	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H+Na"	23.996494
"1066527"	187.130123333333	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2H+Na"	25.00377
"1268568"	569.420086	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+CH3OH+H"	33.033486
"392209"	1111.736358	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+K"	38.963158
"753488"	1648.122958	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+K"	38.963158
"1555387"	575.349758	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+K"	38.963158
"313451"	556.371817	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+H+K"	39.970434
"706956"	824.565117	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+H+K"	39.970434
"1461100"	288.178517	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H+K"	39.970434
"251091"	1114.807026	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+ACN+H"	42.033826
"1225135"	578.420426	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+ACN+H"	42.033826
"1208648"	289.713851	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+ACN+2H"	43.041102
"198235"	1117.74436	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+2Na-H"	44.97116
"633426"	1654.13096	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+2Na-H"	44.97116
"1144954"	581.35776	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2Na-H"	44.97116
"186302"	559.375818	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+2Na"	45.978436
"626344"	827.569118	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+2Na"	45.978436
"1123289"	291.182518	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2Na"	45.978436
"1411191"	194.457437333333	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H+2Na"	46.985712
"1440755"	583.399346	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H+HCOOH"	47.012746
"229725"	564.40884	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+3H2O+2H"	56.04448
"1520336"	597.45139	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+IsoProp+H"	61.06479
"419300"	567.362788	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+Na+K"	61.952376
"779568"	835.556088	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+Na+K"	61.952376
"1674440"	299.169488	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Na+K"	61.952376
"261321"	1136.788968	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+ACN+Na"	64.015768
"1235126"	600.402368	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+ACN+Na"	64.015768
"1725109"	600.425893	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+NH4+HCOOH"	64.039293
"1193499"	201.784751333333	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+3Na"	68.967654
"1664610"	605.381288	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Na+HCOOH"	68.994688
"170495"	1149.69224	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+2K-H"	76.91904
"612128"	1686.07884	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+2K-H"	76.91904
"1099075"	613.30564	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2K-H"	76.91904
"147015"	575.349758	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"2M+2K"	77.926316
"587668"	843.543058	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"3M+2K"	77.926316
"1078740"	307.156458	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2K"	77.926316
"1105386"	615.320192	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2K+H"	78.933592
"1346147"	615.407807	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+DMSO+H"	79.021207
"1017594"	619.446976	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2ACN+H"	83.060376
"1533894"	620.440608	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+IsoProp+Na+H"	84.054008
"995968"	310.227126	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+2ACN+2H"	84.067652
"1594846"	621.355228	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+K+HCOOH"	84.968628
"1416132"	651.386738	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+H+CF3COOH"	115.000138
"1150802"	330.740401	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+3ACN+2H"	125.094202
"1700352"	668.413285	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+NH4+CF3COOH"	132.026685
"1642565"	673.36868	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+Na+CF3COOH"	136.98208
"1574934"	689.34262	"C07608"	"Hyperforin"	"C35H52O4"	"536.3866"	"M+K+CF3COOH"	152.95602
"810769"	248.1412	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M"	0
"989046"	229.12281	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"75832"	164.420190666667	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"517579"	247.133924	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"894286"	81.7064573333333	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"15289"	247.133924	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"446952"	371.204524	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"826942"	123.063324	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"83651"	495.275124	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"524307"	743.416324	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"901015"	247.133924	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"50650"	512.301671	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"496047"	760.442871	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"873850"	264.160471	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"34823"	517.257066	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"484592"	765.398266	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"864021"	269.115866	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1633630"	269.115866	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"109066"	265.122263	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"549356"	389.192863	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"938252"	141.051663	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"278631"	531.251802	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"673603"	779.393002	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1282724"	283.110602	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"27468"	533.231006	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"468122"	781.372206	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"844829"	285.089806	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1557381"	285.089806	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"951825"	293.139394	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"371134"	541.280601	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"350646"	555.296251	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1503858"	307.155051	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"969212"	315.121351	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"122494"	283.110602	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"562056"	407.181202	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1035230"	159.040002	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1253715"	327.060085	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1316165"	329.116072	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1334026"	351.098029	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"925446"	361.126786	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1298143"	397.103464	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1374117"	213.128524	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1390519"	231.1385	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"290207"	497.289676	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"679352"	745.430876	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1357889"	249.148476	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"135153"	249.148476	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"569975"	373.219076	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1041326"	125.077876	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"213605"	166.434742666667	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"652077"	249.148476	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1170201"	83.7210093333333	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"431284"	514.316223	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"793369"	762.457423	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1685329"	266.175023	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"336887"	257.6617495	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"726396"	381.7323495	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1485321"	133.5911495	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"405097"	519.271618	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"765003"	767.412818	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1614192"	271.130418	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"316576"	260.139447	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"713371"	384.210047	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1470474"	136.068847	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1063719"	91.0483233333333	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1271958"	281.174686	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"390533"	535.245558	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"753354"	783.386758	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1554679"	287.104358	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"312947"	268.126417	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"706913"	392.197017	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1459190"	144.055817	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"250706"	538.316226	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1224144"	290.175026	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1207664"	145.591151	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"198344"	541.25356	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"634265"	789.39476	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1138137"	293.11236	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"186165"	271.130418	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"624267"	395.201018	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1121577"	147.059818	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1408017"	98.3756373333333	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1441593"	295.153946	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"230562"	276.16344	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1518986"	309.20599	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"419410"	279.117388	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"781137"	403.187988	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1675280"	155.046788	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"262524"	560.298168	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1236328"	312.156968	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1723397"	312.180493	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1189477"	105.702951333333	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1662289"	317.135888	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"164044"	573.20144	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"605795"	821.34264	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1095775"	325.06024	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"154779"	287.104358	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"596412"	411.174958	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1071558"	163.033758	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1103309"	327.074792	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1341883"	327.162407	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1014787"	331.201576	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1528536"	332.195208	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"992798"	166.104426	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1589490"	333.109828	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1415149"	363.141338	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1150182"	186.617701	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1697545"	380.167885	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1639395"	385.12328	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1572857"	401.09722	"C07609"	"Parthenolide"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"810879"	482.1213	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M"	0
"987698"	463.10291	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-H2O-H"	-19.01839
"75942"	320.406924	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M-3H"	-3.021828
"516596"	481.114024	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M-3H"	-3.021828
"892209"	159.699824	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-3H"	-3.021828
"14064"	481.114024	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M-2H"	-2.014552
"447062"	722.174674	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M-2H"	-2.014552
"823772"	240.053374	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-2H"	-2.014552
"84855"	963.235324	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M-H"	-1.007276
"524417"	1445.356624	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M-H"	-1.007276
"902219"	481.114024	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-H"	-1.007276
"51126"	980.261871	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M-2H+NH4"	16.019271
"493970"	1462.383171	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M-2H+NH4"	16.019271
"872867"	498.140571	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-2H+NH4"	16.019271
"36756"	985.217266	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M-2H+Na"	20.974666
"480328"	1467.338566	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M-2H+Na"	20.974666
"864163"	503.095966	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-2H+Na"	20.974666
"1634031"	503.095966	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Na-2H"	20.974666
"109865"	499.102363	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M-H+Cl"	33.962126
"549222"	740.163013	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M-H+Cl"	33.962126
"940913"	258.041713	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-H+Cl"	33.962126
"279834"	999.212002	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+Cl"	34.969402
"672618"	1481.333302	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+Cl"	34.969402
"1283927"	517.090702	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Cl"	34.969402
"29766"	1001.191206	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M-2H+K"	36.948606
"466045"	1483.312506	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M-2H+K"	36.948606
"843845"	519.069906	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-2H+K"	36.948606
"1557491"	519.069906	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+K-2H"	36.948606
"951935"	527.119494	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-H+HCOOH"	44.998194
"371244"	1009.240801	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+HCOOH-H"	44.998201
"352943"	1023.256451	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+Hac-H"	59.013851
"1502875"	541.135151	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Hac-H"	59.013851
"969321"	549.101451	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-H+NaCOOH"	66.980151
"122240"	517.090702	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+2Cl"	69.938804
"561073"	758.151352	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+2Cl"	69.938804
"1035340"	276.030052	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2Cl"	69.938804
"1253826"	561.040185	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Br"	78.918885
"1315183"	563.096172	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Cl+HCOOH"	80.974872
"1333404"	585.078129	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Cl+NaCOOH"	102.956829
"925192"	595.106886	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M-H+CF3COOH"	112.985586
"1299346"	631.083564	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Cl+CF3COOH"	148.962264
"1377507"	447.108624	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H-2H2O"	-35.012676
"1387349"	465.1186	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H-H2O"	-17.0027
"291410"	965.249876	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+H"	1.007276
"681648"	1447.371176	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+H"	1.007276
"1357999"	483.128576	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H"	1.007276
"137449"	483.128576	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+2H"	2.014552
"568992"	724.189226	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+2H"	2.014552
"1041072"	242.067926	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2H"	2.014552
"212622"	322.421476	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+3H"	3.021828
"652187"	483.128576	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+3H"	3.021828
"1169947"	161.714376	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+3H"	3.021828
"432487"	982.276423	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+NH4"	18.033823
"792386"	1464.397723	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+NH4"	18.033823
"1685439"	500.155123	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+NH4"	18.033823
"335904"	491.6418495	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+H+NH4"	19.041099
"727235"	732.7024995	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+H+NH4"	19.041099
"1487618"	250.5811995	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H+NH4"	19.041099
"407272"	987.231818	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+Na"	22.989218
"764019"	1469.353118	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+Na"	22.989218
"1614302"	505.110518	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Na"	22.989218
"317779"	494.119547	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+H+Na"	23.996494
"713481"	735.180197	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+H+Na"	23.996494
"1468397"	253.058897	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H+Na"	23.996494
"1066016"	169.04169	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2H+Na"	25.00377
"1272069"	515.154786	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+CH3OH+H"	33.033486
"392752"	1003.205758	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+K"	38.963158
"753462"	1485.327058	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+K"	38.963158
"1555154"	521.084458	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+K"	38.963158
"313421"	502.106517	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+H+K"	39.970434
"705846"	743.167167	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+H+K"	39.970434
"1460394"	261.045867	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H+K"	39.970434
"250087"	1006.276426	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+ACN+H"	42.033826
"1224254"	524.155126	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+ACN+H"	42.033826
"1207774"	262.581201	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+ACN+2H"	43.041102
"199547"	1009.21376	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+2Na-H"	44.97116
"635835"	1491.33506	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+2Na-H"	44.97116
"1139340"	527.09246	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2Na-H"	44.97116
"184817"	505.110518	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+2Na"	45.978436
"621097"	746.171168	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+2Na"	45.978436
"1121323"	264.049868	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2Na"	45.978436
"1407763"	176.369004	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H+2Na"	46.985712
"1442068"	529.134046	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H+HCOOH"	47.012746
"231400"	510.14354	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+3H2O+2H"	56.04448
"1516909"	543.18609	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+IsoProp+H"	61.06479
"418789"	513.097488	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+Na+K"	61.952376
"779787"	754.158138	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+Na+K"	61.952376
"1677212"	272.036838	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Na+K"	61.952376
"260448"	1028.258368	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+ACN+Na"	64.015768
"1234251"	546.137068	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+ACN+Na"	64.015768
"1724233"	546.160593	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+NH4+HCOOH"	64.039293
"1191046"	183.696318	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+3Na"	68.967654
"1660573"	551.115988	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Na+HCOOH"	68.994688
"167436"	1041.16164	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+2K-H"	76.91904
"608091"	1523.28294	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+2K-H"	76.91904
"1093697"	559.04034	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2K-H"	76.91904
"154889"	521.084458	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"2M+2K"	77.926316
"593356"	762.145108	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"3M+2K"	77.926316
"1075679"	280.023808	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2K"	77.926316
"1102690"	561.054892	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2K+H"	78.933592
"1343084"	561.142507	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+DMSO+H"	79.021207
"1013804"	565.181676	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2ACN+H"	83.060376
"1530833"	566.175308	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+IsoProp+Na+H"	84.054008
"995096"	283.094476	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+2ACN+2H"	84.067652
"1591787"	567.089928	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+K+HCOOH"	84.968628
"1414289"	597.121438	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+H+CF3COOH"	115.000138
"1151021"	303.607751	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+3ACN+2H"	125.094202
"1697655"	614.147985	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+NH4+CF3COOH"	132.026685
"1640598"	619.10338	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+Na+CF3COOH"	136.98208
"1572967"	635.07732	"C07610"	"Silymarin;Silibinin;Silybin"	"C25H22O10"	"482.1213"	"M+K+CF3COOH"	152.95602
"810989"	1208.6455	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M"	0
"988172"	1189.62711	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-H2O-H"	-19.01839
"72770"	804.756390666667	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M-3H"	-3.021828
"515613"	1207.638224	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M-3H"	-3.021828
"891227"	401.874557333333	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-3H"	-3.021828
"11987"	1207.638224	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M-2H"	-2.014552
"449360"	1811.960974	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M-2H"	-2.014552
"823882"	603.315474	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-2H"	-2.014552
"87154"	2416.283724	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M-H"	-1.007276
"522340"	3624.929224	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M-H"	-1.007276
"899049"	1207.638224	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-H"	-1.007276
"49412"	2433.310271	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M-2H+NH4"	16.019271
"488603"	3641.955771	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M-2H+NH4"	16.019271
"864826"	1224.664771	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-2H+NH4"	16.019271
"32121"	2438.265666	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M-2H+Na"	20.974666
"471880"	3646.911166	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M-2H+Na"	20.974666
"848790"	1229.620166	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-2H+Na"	20.974666
"1620845"	1229.620166	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Na-2H"	20.974666
"107218"	1225.626563	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M-H+Cl"	33.962126
"543862"	1829.949313	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M-H+Cl"	33.962126
"938470"	621.303813	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-H+Cl"	33.962126
"271558"	2452.260402	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+Cl"	34.969402
"661793"	3660.905902	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+Cl"	34.969402
"1278570"	1243.614902	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Cl"	34.969402
"27687"	2454.239606	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M-2H+K"	36.948606
"463967"	3662.885106	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M-2H+K"	36.948606
"837394"	1245.594106	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-2H+K"	36.948606
"1556263"	1245.594106	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+K-2H"	36.948606
"945483"	1253.643694	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-H+HCOOH"	44.998194
"364794"	2462.289201	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+HCOOH-H"	44.998201
"354146"	2476.304851	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+Hac-H"	59.013851
"1500794"	1267.659351	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Hac-H"	59.013851
"970524"	1275.625651	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-H+NaCOOH"	66.980151
"122711"	1243.614902	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+2Cl"	69.938804
"562276"	1847.937652	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+2Cl"	69.938804
"1034356"	639.292152	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2Cl"	69.938804
"1253571"	1287.564385	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Br"	78.918885
"1314199"	1289.620372	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Cl+HCOOH"	80.974872
"1331691"	1311.602329	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Cl+NaCOOH"	102.956829
"920563"	1321.631086	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M-H+CF3COOH"	112.985586
"1297269"	1357.607764	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Cl+CF3COOH"	148.962264
"1372149"	1173.632824	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H-2H2O"	-35.012676
"1384179"	1191.6428	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H-H2O"	-17.0027
"288239"	2418.298276	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+H"	1.007276
"680665"	3626.943776	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+H"	1.007276
"1357016"	1209.652776	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H"	1.007276
"137559"	1209.652776	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+2H"	2.014552
"569102"	1813.975526	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+2H"	2.014552
"1041546"	605.330026	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2H"	2.014552
"212732"	806.770942666667	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+3H"	3.021828
"652297"	1209.652776	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+3H"	3.021828
"1170421"	403.889109333333	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+3H"	3.021828
"432597"	2435.324823	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+NH4"	18.033823
"792496"	3643.970323	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+NH4"	18.033823
"1685549"	1226.679323	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+NH4"	18.033823
"336014"	1218.1660495	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+H+NH4"	19.041099
"728438"	1822.4887995	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+H+NH4"	19.041099
"1485542"	613.8432995	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H+NH4"	19.041099
"400945"	2440.280218	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+Na"	22.989218
"759753"	3648.925718	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+Na"	22.989218
"1611130"	1231.634718	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Na"	22.989218
"316793"	1220.643747	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+H+Na"	23.996494
"708486"	1824.966497	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+H+Na"	23.996494
"1465222"	616.320997	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H+Na"	23.996494
"1059562"	411.216423333333	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2H+Na"	25.00377
"1265616"	1241.678986	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+CH3OH+H"	33.033486
"389659"	2456.254158	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+K"	38.963158
"751750"	3664.899658	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+K"	38.963158
"1554170"	1247.608658	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+K"	38.963158
"311341"	1228.630717	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+H+K"	39.970434
"704130"	1832.953467	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+H+K"	39.970434
"1457949"	624.307967	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H+K"	39.970434
"248372"	2459.324826	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+ACN+H"	42.033826
"1221809"	1250.679326	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+ACN+H"	42.033826
"1207516"	625.843301	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+ACN+2H"	43.041102
"197471"	2462.26216	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+2Na-H"	44.97116
"633755"	3670.90766	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+2Na-H"	44.97116
"1137262"	1253.61666	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2Na-H"	44.97116
"180552"	1231.634718	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+2Na"	45.978436
"617924"	1835.957468	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+2Na"	45.978436
"1121433"	627.311968	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2Na"	45.978436
"1408237"	418.543737333333	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H+2Na"	46.985712
"1442178"	1255.658246	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H+HCOOH"	47.012746
"230051"	1236.66774	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+3H2O+2H"	56.04448
"1518112"	1269.71029	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+IsoProp+H"	61.06479
"417804"	1239.621688	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+Na+K"	61.952376
"780626"	1843.944438	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+Na+K"	61.952376
"1677322"	635.298938	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Na+K"	61.952376
"261287"	2481.306768	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+ACN+Na"	64.015768
"1235453"	1272.661268	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+ACN+Na"	64.015768
"1723250"	1272.684793	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+NH4+HCOOH"	64.039293
"1191520"	425.871051333333	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+3Na"	68.967654
"1660683"	1277.640188	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Na+HCOOH"	68.994688
"168639"	2494.21004	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+2K-H"	76.91904
"609294"	3702.85554	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+2K-H"	76.91904
"1094899"	1285.56454	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2K-H"	76.91904
"153906"	1247.608658	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"2M+2K"	77.926316
"592372"	1851.931408	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"3M+2K"	77.926316
"1083693"	643.285908	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2K"	77.926316
"1103530"	1287.579092	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2K+H"	78.933592
"1343195"	1287.666707	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+DMSO+H"	79.021207
"1016099"	1291.705876	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2ACN+H"	83.060376
"1528758"	1292.699508	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+IsoProp+Na+H"	84.054008
"995205"	646.356576	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+2ACN+2H"	84.067652
"1591898"	1293.614128	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+K+HCOOH"	84.968628
"1415371"	1323.645638	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+H+CF3COOH"	115.000138
"1151130"	666.869851	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+3ACN+2H"	125.094202
"1698494"	1340.672185	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+NH4+CF3COOH"	132.026685
"1639615"	1345.62758	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+Na+CF3COOH"	136.98208
"1573077"	1361.60152	"C07612"	"Leuprolide;Leuprorelin"	"C59H84N16O12"	"1208.6455"	"M+K+CF3COOH"	152.95602
"811099"	1321.6356	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M"	0
"987553"	1302.61721	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-H2O-H"	-19.01839
"71786"	880.083124	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M-3H"	-3.021828
"515358"	1320.628324	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M-3H"	-3.021828
"886963"	439.537924	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-3H"	-3.021828
"8817"	1320.628324	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M-2H"	-2.014552
"450564"	1981.446124	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M-2H"	-2.014552
"819983"	659.810524	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-2H"	-2.014552
"82891"	2642.263924	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M-H"	-1.007276
"523543"	3963.899524	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M-H"	-1.007276
"899159"	1320.628324	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-H"	-1.007276
"49888"	2659.290471	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M-2H+NH4"	16.019271
"487985"	3980.926071	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M-2H+NH4"	16.019271
"865785"	1337.654871	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-2H+NH4"	16.019271
"33693"	2664.245866	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M-2H+Na"	20.974666
"477266"	3985.881466	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M-2H+Na"	20.974666
"852881"	1342.610266	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-2H+Na"	20.974666
"1624602"	1342.610266	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Na-2H"	20.974666
"106601"	1338.616663	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M-H+Cl"	33.962126
"548107"	1999.434463	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M-H+Cl"	33.962126
"940529"	677.798863	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-H+Cl"	33.962126
"278961"	2678.240602	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+Cl"	34.969402
"671382"	3999.876202	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+Cl"	34.969402
"1286338"	1356.605002	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Cl"	34.969402
"25611"	2680.219806	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M-2H+K"	36.948606
"466265"	4001.855406	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M-2H+K"	36.948606
"844066"	1358.584206	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-2H+K"	36.948606
"1566460"	1358.584206	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+K-2H"	36.948606
"952156"	1366.633794	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-H+HCOOH"	44.998194
"368185"	2688.269401	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+HCOOH-H"	44.998201
"354256"	2702.285051	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+Hac-H"	59.013851
"1500904"	1380.649451	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Hac-H"	59.013851
"968452"	1388.615751	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-H+NaCOOH"	66.980151
"120638"	1356.605002	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+2Cl"	69.938804
"560201"	2017.422802	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+2Cl"	69.938804
"1033376"	695.787202	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2Cl"	69.938804
"1254049"	1400.554485	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Br"	78.918885
"1315403"	1402.610472	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Cl+HCOOH"	80.974872
"1328523"	1424.592429	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Cl+NaCOOH"	102.956829
"918488"	1434.621186	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M-H+CF3COOH"	112.985586
"1299569"	1470.597864	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Cl+CF3COOH"	148.962264
"1373355"	1286.622924	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H-2H2O"	-35.012676
"1388666"	1304.6329	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H-H2O"	-17.0027
"289444"	2644.278476	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+H"	1.007276
"689163"	3965.914076	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+H"	1.007276
"1362596"	1322.642876	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H"	1.007276
"135484"	1322.642876	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+2H"	2.014552
"573953"	1983.460676	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+2H"	2.014552
"1043847"	661.825076	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2H"	2.014552
"215030"	882.097676	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+3H"	3.021828
"652406"	1322.642876	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+3H"	3.021828
"1169439"	441.552476	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+3H"	3.021828
"430519"	2661.305023	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+NH4"	18.033823
"792608"	3982.940623	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+NH4"	18.033823
"1686753"	1339.669423	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+NH4"	18.033823
"333940"	1331.1561495	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+H+NH4"	19.041099
"731836"	1991.9739495	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+H+NH4"	19.041099
"1483472"	670.3383495	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H+NH4"	19.041099
"402152"	2666.260418	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+Na"	22.989218
"760956"	3987.896018	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+Na"	22.989218
"1612334"	1344.624818	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Na"	22.989218
"316174"	1333.633847	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+H+Na"	23.996494
"709689"	1994.451647	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+H+Na"	23.996494
"1465334"	672.816047	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H+Na"	23.996494
"1059674"	448.87979	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2H+Na"	25.00377
"1264633"	1354.669086	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+CH3OH+H"	33.033486
"386488"	2682.234358	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+K"	38.963158
"750764"	4003.869958	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+K"	38.963158
"1552817"	1360.598758	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+K"	38.963158
"308176"	1341.620817	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+H+K"	39.970434
"703512"	2002.438617	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+H+K"	39.970434
"1456603"	680.803017	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H+K"	39.970434
"248116"	2685.305026	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+ACN+H"	42.033826
"1223013"	1363.669426	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+ACN+H"	42.033826
"1206895"	682.338351	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+ACN+2H"	43.041102
"196488"	2688.24236	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+2Na-H"	44.97116
"629166"	4009.87796	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+2Na-H"	44.97116
"1137372"	1366.60676	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2Na-H"	44.97116
"178475"	1344.624818	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+2Na"	45.978436
"616211"	2005.442618	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+2Na"	45.978436
"1118627"	683.807018	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2Na"	45.978436
"1402880"	456.207104	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H+2Na"	46.985712
"1432076"	1368.648346	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H+HCOOH"	47.012746
"222504"	1349.65784	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+3H2O+2H"	56.04448
"1512754"	1382.70039	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+IsoProp+H"	61.06479
"419009"	1352.611788	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+Na+K"	61.952376
"778913"	2013.429588	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+Na+K"	61.952376
"1675242"	691.793988	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Na+K"	61.952376
"261759"	2707.286968	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+ACN+Na"	64.015768
"1236655"	1385.651368	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+ACN+Na"	64.015768
"1725181"	1385.674893	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+NH4+HCOOH"	64.039293
"1186526"	463.534418	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+3Na"	68.967654
"1658606"	1390.630288	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Na+HCOOH"	68.994688
"167655"	2720.19024	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+2K-H"	76.91904
"608311"	4041.82584	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+2K-H"	76.91904
"1096102"	1398.55464	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2K-H"	76.91904
"154016"	1360.598758	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"2M+2K"	77.926316
"594669"	2021.416558	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"3M+2K"	77.926316
"1081368"	699.780958	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2K"	77.926316
"1112388"	1400.569192	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2K+H"	78.933592
"1341117"	1400.656807	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+DMSO+H"	79.021207
"1011836"	1404.695976	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2ACN+H"	83.060376
"1527775"	1405.689608	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+IsoProp+Na+H"	84.054008
"994221"	702.851626	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+2ACN+2H"	84.067652
"1595288"	1406.604228	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+K+HCOOH"	84.968628
"1414318"	1436.635738	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+H+CF3COOH"	115.000138
"1151240"	723.364901	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+3ACN+2H"	125.094202
"1701886"	1453.662285	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+NH4+CF3COOH"	132.026685
"1639725"	1458.61768	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+Na+CF3COOH"	136.98208
"1573187"	1474.59162	"C07613"	"Nafarelin"	"C66H83N17O13"	"1321.6356"	"M+K+CF3COOH"	152.95602
"810116"	186.0463	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M"	0
"981461"	167.02791	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-H2O-H"	-19.01839
"76999"	123.023590666667	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M-3H"	-3.021828
"515831"	185.039024	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M-3H"	-3.021828
"893632"	61.0081573333333	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-3H"	-3.021828
"12206"	185.039024	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M-2H"	-2.014552
"454684"	278.062174	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M-2H"	-2.014552
"825195"	92.015874	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-2H"	-2.014552
"88466"	371.085324	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M-H"	-1.007276
"528027"	557.131624	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M-H"	-1.007276
"900724"	185.039024	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-H"	-1.007276
"51819"	388.111871	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M-2H+NH4"	16.019271
"489189"	574.158171	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M-2H+NH4"	16.019271
"873197"	202.065571	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-2H+NH4"	16.019271
"38911"	393.067266	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M-2H+Na"	20.974666
"476284"	579.113566	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M-2H+Na"	20.974666
"857366"	207.020966	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-2H+Na"	20.974666
"1627993"	207.020966	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Na-2H"	20.974666
"106709"	203.027363	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M-H+Cl"	33.962126
"544083"	296.050513	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M-H+Cl"	33.962126
"940150"	110.004213	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-H+Cl"	33.962126
"280895"	407.062002	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+Cl"	34.969402
"673074"	593.108302	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+Cl"	34.969402
"1283167"	221.015702	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Cl"	34.969402
"25721"	409.041206	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M-2H+K"	36.948606
"465283"	595.087506	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M-2H+K"	36.948606
"840897"	222.994906	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-2H+K"	36.948606
"1562196"	222.994906	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+K-2H"	36.948606
"948987"	231.044494	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-H+HCOOH"	44.998194
"366108"	417.090801	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+HCOOH-H"	44.998201
"353273"	431.106451	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+Hac-H"	59.013851
"1504302"	245.060151	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Hac-H"	59.013851
"972939"	253.026451	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-H+NaCOOH"	66.980151
"124033"	221.015702	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+2Cl"	69.938804
"563593"	314.038852	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+2Cl"	69.938804
"1034946"	127.992552	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2Cl"	69.938804
"1255254"	264.965185	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Br"	78.918885
"1313691"	267.021172	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Cl+HCOOH"	80.974872
"1329726"	289.003129	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Cl+NaCOOH"	102.956829
"921878"	299.031886	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M-H+CF3COOH"	112.985586
"1296399"	335.008564	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Cl+CF3COOH"	148.962264
"1370186"	151.033624	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H-2H2O"	-35.012676
"1388776"	169.0436	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H-H2O"	-17.0027
"286275"	373.099876	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+H"	1.007276
"684169"	559.146176	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+H"	1.007276
"1362705"	187.053576	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H"	1.007276
"137782"	187.053576	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+2H"	2.014552
"575155"	280.076726	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+2H"	2.014552
"1043956"	94.030426	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2H"	2.014552
"216234"	125.038142666667	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+3H"	3.021828
"653609"	187.053576	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+3H"	3.021828
"1172829"	63.0227093333333	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+3H"	3.021828
"435004"	390.126423	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+NH4"	18.033823
"792721"	576.172723	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+NH4"	18.033823
"1685769"	204.080123	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+NH4"	18.033823
"337333"	195.5668495	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+H+NH4"	19.041099
"735955"	288.5899995	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+H+NH4"	19.041099
"1487956"	102.5436995	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H+NH4"	19.041099
"403354"	395.081818	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+Na"	22.989218
"761070"	581.128118	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+Na"	22.989218
"1614632"	209.035518	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Na"	22.989218
"319203"	198.044547	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+H+Na"	23.996494
"712718"	291.067697	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+H+Na"	23.996494
"1467632"	105.021397	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H+Na"	23.996494
"1058691"	70.3500233333333	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2H+Na"	25.00377
"1263650"	219.079786	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+CH3OH+H"	33.033486
"387692"	411.055758	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+K"	38.963158
"753062"	597.102058	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+K"	38.963158
"1551835"	225.009458	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+K"	38.963158
"313026"	206.031517	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+H+K"	39.970434
"706539"	299.054667	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+H+K"	39.970434
"1458534"	113.008367	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H+K"	39.970434
"249685"	414.126426	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+ACN+H"	42.033826
"1222760"	228.080126	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+ACN+H"	42.033826
"1205913"	114.543701	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+ACN+2H"	43.041102
"196598"	417.06376	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+2Na-H"	44.97116
"629599"	603.11006	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+2Na-H"	44.97116
"1132376"	231.01746	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2Na-H"	44.97116
"176398"	209.035518	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+2Na"	45.978436
"618144"	302.058668	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+2Na"	45.978436
"1121649"	116.012368	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2Na"	45.978436
"1402987"	77.6773373333333	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H+2Na"	46.985712
"1436197"	233.059046	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H+HCOOH"	47.012746
"224796"	214.06854	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+3H2O+2H"	56.04448
"1511768"	247.11109	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+IsoProp+H"	61.06479
"414740"	217.022488	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+Na+K"	61.952376
"776829"	310.045638	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+Na+K"	61.952376
"1676445"	123.999338	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Na+K"	61.952376
"259680"	436.108368	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+ACN+Na"	64.015768
"1231297"	250.062068	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+ACN+Na"	64.015768
"1724559"	250.085593	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+NH4+HCOOH"	64.039293
"1188822"	85.0046513333333	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+3Na"	68.967654
"1658716"	255.040988	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Na+HCOOH"	68.994688
"167765"	449.01164	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+2K-H"	76.91904
"607322"	635.05794	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+2K-H"	76.91904
"1097305"	262.96534	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2K-H"	76.91904
"157006"	225.009458	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"2M+2K"	77.926316
"597057"	318.032608	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"3M+2K"	77.926316
"1083059"	131.986308	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2K"	77.926316
"1110311"	264.979892	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2K+H"	78.933592
"1341228"	265.067507	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+DMSO+H"	79.021207
"1011944"	269.106676	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2ACN+H"	83.060376
"1527886"	270.100308	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+IsoProp+Na+H"	84.054008
"992875"	135.056976	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+2ACN+2H"	84.067652
"1597585"	271.014928	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+K+HCOOH"	84.968628
"1417049"	301.046438	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+H+CF3COOH"	115.000138
"1154630"	155.570251	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+3ACN+2H"	125.094202
"1703087"	318.072985	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+NH4+CF3COOH"	132.026685
"1640928"	323.02838	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+Na+CF3COOH"	136.98208
"1572204"	339.00232	"C07615"	"Carbimazole"	"C7H10N2O2S"	"186.0463"	"M+K+CF3COOH"	152.95602
"810226"	254.1419	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M"	0
"981571"	235.12351	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-H2O-H"	-19.01839
"74194"	168.420657333333	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M-3H"	-3.021828
"513755"	253.134624	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M-3H"	-3.021828
"891556"	83.7066906666667	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-3H"	-3.021828
"12316"	253.134624	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M-2H"	-2.014552
"451877"	380.205574	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M-2H"	-2.014552
"825305"	126.063674	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-2H"	-2.014552
"87483"	507.276524	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M-H"	-1.007276
"525950"	761.418424	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M-H"	-1.007276
"899740"	253.134624	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-H"	-1.007276
"50836"	524.303071	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M-2H+NH4"	16.019271
"490395"	778.444971	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M-2H+NH4"	16.019271
"873307"	270.161171	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-2H+NH4"	16.019271
"40114"	529.258466	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M-2H+Na"	20.974666
"477487"	783.400366	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M-2H+Na"	20.974666
"858569"	275.116566	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-2H+Na"	20.974666
"1628103"	275.116566	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Na-2H"	20.974666
"107549"	271.122963	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M-H+Cl"	33.962126
"547473"	398.193913	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M-H+Cl"	33.962126
"940623"	144.052013	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-H+Cl"	33.962126
"280883"	543.253202	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+Cl"	34.969402
"674398"	797.395102	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+Cl"	34.969402
"1282183"	289.111302	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Cl"	34.969402
"22551"	545.232406	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M-2H+K"	36.948606
"463206"	799.374306	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M-2H+K"	36.948606
"834447"	291.090506	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-2H+K"	36.948606
"1557932"	291.090506	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+K-2H"	36.948606
"948002"	299.140094	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-H+HCOOH"	44.998194
"367309"	553.282001	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+HCOOH-H"	44.998201
"351196"	567.297651	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+Hac-H"	59.013851
"1505502"	313.155751	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Hac-H"	59.013851
"971831"	321.122051	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-H+NaCOOH"	66.980151
"123048"	289.111302	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+2Cl"	69.938804
"564797"	416.182252	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+2Cl"	69.938804
"1034691"	162.040352	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2Cl"	69.938804
"1255728"	333.060785	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Br"	78.918885
"1317445"	335.116772	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Cl+HCOOH"	80.974872
"1333116"	357.098729	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Cl+NaCOOH"	102.956829
"921988"	367.127486	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M-H+CF3COOH"	112.985586
"1299789"	403.104164	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Cl+CF3COOH"	148.962264
"1373576"	219.129224	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H-2H2O"	-35.012676
"1393259"	237.1392	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H-H2O"	-17.0027
"286749"	509.291076	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+H"	1.007276
"684279"	763.432976	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+H"	1.007276
"1364637"	255.149176	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H"	1.007276
"136799"	255.149176	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+2H"	2.014552
"576358"	382.220126	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+2H"	2.014552
"1044066"	128.078226	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2H"	2.014552
"215981"	170.435209333333	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+3H"	3.021828
"654814"	255.149176	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+3H"	3.021828
"1174033"	85.7212426666667	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+3H"	3.021828
"436936"	526.317623	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+NH4"	18.033823
"795017"	780.459523	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+NH4"	18.033823
"1689160"	272.175723	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+NH4"	18.033823
"340723"	263.6624495	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+H+NH4"	19.041099
"734239"	390.7333995	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+H+NH4"	19.041099
"1491343"	136.5914995	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H+NH4"	19.041099
"403465"	531.273018	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+Na"	22.989218
"763367"	785.414918	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+Na"	22.989218
"1615837"	277.131118	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Na"	22.989218
"320405"	266.140147	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+H+Na"	23.996494
"712828"	393.211097	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+H+Na"	23.996494
"1467740"	139.069197	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H+Na"	23.996494
"1056614"	93.0485566666667	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2H+Na"	25.00377
"1263760"	287.175386	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+CH3OH+H"	33.033486
"386707"	547.246958	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+K"	38.963158
"748796"	801.388858	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+K"	38.963158
"1549755"	293.105058	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+K"	38.963158
"310214"	274.127117	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+H+K"	39.970434
"705796"	401.198067	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+H+K"	39.970434
"1456457"	147.056167	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H+K"	39.970434
"250406"	550.317626	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+ACN+H"	42.033826
"1222141"	296.175726	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+ACN+H"	42.033826
"1206027"	148.591501	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+ACN+2H"	43.041102
"197802"	553.25496	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+2Na-H"	44.97116
"631898"	807.39686	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+2Na-H"	44.97116
"1134065"	299.11306	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2Na-H"	44.97116
"176872"	277.131118	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+2Na"	45.978436
"618618"	404.202068	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+2Na"	45.978436
"1125039"	150.060168	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2Na"	45.978436
"1403096"	100.375870666667	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H+2Na"	46.985712
"1436307"	301.154646	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H+HCOOH"	47.012746
"225271"	282.16414	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+3H2O+2H"	56.04448
"1512970"	315.20669	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+IsoProp+H"	61.06479
"415943"	285.118088	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+Na+K"	61.952376
"779123"	412.189038	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+Na+K"	61.952376
"1675460"	158.047138	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Na+K"	61.952376
"259790"	572.299568	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+ACN+Na"	64.015768
"1232500"	318.157668	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+ACN+Na"	64.015768
"1724669"	318.181193	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+NH4+HCOOH"	64.039293
"1187838"	107.703184666667	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+3Na"	68.967654
"1661012"	323.136588	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Na+HCOOH"	68.994688
"171155"	585.20284	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+2K-H"	76.91904
"607433"	839.34474	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+2K-H"	76.91904
"1095228"	331.06094	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2K-H"	76.91904
"154236"	293.105058	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"2M+2K"	77.926316
"595985"	420.176008	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"3M+2K"	77.926316
"1082927"	166.034108	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2K"	77.926316
"1108233"	333.075492	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2K+H"	78.933592
"1342430"	333.163107	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+DMSO+H"	79.021207
"1010960"	337.202276	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2ACN+H"	83.060376
"1530182"	338.195908	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+IsoProp+Na+H"	84.054008
"993350"	169.104776	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+2ACN+2H"	84.067652
"1592228"	339.110528	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+K+HCOOH"	84.968628
"1416066"	369.142038	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+H+CF3COOH"	115.000138
"1149272"	189.618051	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+3ACN+2H"	125.094202
"1699916"	386.168585	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+NH4+CF3COOH"	132.026685
"1639945"	391.12398	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+Na+CF3COOH"	136.98208
"1574501"	407.09792	"C07616"	"Amphenone B"	"C16H18N2O"	"254.1419"	"M+K+CF3COOH"	152.95602
"810336"	232.1212	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M"	0
"981681"	213.10281	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-H2O-H"	-19.01839
"75398"	153.740190666667	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M-3H"	-3.021828
"513864"	231.113924	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M-3H"	-3.021828
"891666"	76.3664573333333	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-3H"	-3.021828
"11333"	231.113924	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M-2H"	-2.014552
"450894"	347.174524	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M-2H"	-2.014552
"825415"	115.053324	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-2H"	-2.014552
"84313"	463.235124	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M-H"	-1.007276
"523143"	695.356324	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M-H"	-1.007276
"898757"	231.113924	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-H"	-1.007276
"51675"	480.261671	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M-2H+NH4"	16.019271
"489048"	712.382871	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M-2H+NH4"	16.019271
"870137"	248.140471	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-2H+NH4"	16.019271
"41318"	485.217066	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M-2H+Na"	20.974666
"477597"	717.338266	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M-2H+Na"	20.974666
"857586"	253.095866	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-2H+Na"	20.974666
"1624933"	253.095866	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Na-2H"	20.974666
"109767"	249.102263	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M-H+Cl"	33.962126
"549569"	365.162863	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M-H+Cl"	33.962126
"940004"	133.041663	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-H+Cl"	33.962126
"280385"	499.211802	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+Cl"	34.969402
"673900"	731.333002	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+Cl"	34.969402
"1282293"	267.090602	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Cl"	34.969402
"22661"	501.191006	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M-2H+K"	36.948606
"463316"	733.312206	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M-2H+K"	36.948606
"834557"	269.069806	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-2H+K"	36.948606
"1558042"	269.069806	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+K-2H"	36.948606
"945926"	277.119394	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-H+HCOOH"	44.998194
"366327"	509.240601	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+HCOOH-H"	44.998201
"351306"	523.256251	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+Hac-H"	59.013851
"1498688"	291.135051	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Hac-H"	59.013851
"973892"	299.101351	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-H+NaCOOH"	66.980151
"124251"	267.090602	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+2Cl"	69.938804
"564906"	383.151202	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+2Cl"	69.938804
"1034800"	151.030002	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2Cl"	69.938804
"1255108"	311.040085	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Br"	78.918885
"1316827"	313.096072	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Cl+HCOOH"	80.974872
"1332133"	335.078029	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Cl+NaCOOH"	102.956829
"919182"	345.106786	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M-H+CF3COOH"	112.985586
"1296619"	381.083464	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Cl+CF3COOH"	148.962264
"1373686"	197.108524	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H-2H2O"	-35.012676
"1392276"	215.1185	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H-H2O"	-17.0027
"286495"	465.249676	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+H"	1.007276
"686575"	697.370876	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+H"	1.007276
"1364017"	233.128476	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H"	1.007276
"136909"	233.128476	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+2H"	2.014552
"574282"	349.189076	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+2H"	2.014552
"1043083"	117.067876	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2H"	2.014552
"214269"	155.754742666667	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+3H"	3.021828
"650551"	233.128476	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+3H"	3.021828
"1171956"	78.3810093333333	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+3H"	3.021828
"434133"	482.276223	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+NH4"	18.033823
"792941"	714.397423	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+NH4"	18.033823
"1690364"	250.155023	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+NH4"	18.033823
"338642"	241.6417495	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+H+NH4"	19.041099
"729970"	357.7023495	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+H+NH4"	19.041099
"1485982"	125.5811495	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H+NH4"	19.041099
"406489"	487.231618	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+Na"	22.989218
"765662"	719.352818	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+Na"	22.989218
"1614855"	255.110418	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Na"	22.989218
"321608"	244.119447	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+H+Na"	23.996494
"711845"	360.180047	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+H+Na"	23.996494
"1467850"	128.058847	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H+Na"	23.996494
"1058911"	85.7083233333333	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2H+Na"	25.00377
"1269338"	265.154686	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+CH3OH+H"	33.033486
"386819"	503.205558	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+K"	38.963158
"750000"	735.326758	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+K"	38.963158
"1552052"	271.084358	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+K"	38.963158
"311053"	252.106417	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+H+K"	39.970434
"701651"	368.167017	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+H+K"	39.970434
"1459847"	136.045817	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H+K"	39.970434
"250273"	506.276226	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+ACN+H"	42.033826
"1222251"	274.155026	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+ACN+H"	42.033826
"1206137"	137.581151	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+ACN+2H"	43.041102
"197912"	509.21356	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+2Na-H"	44.97116
"630549"	741.33476	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+2Na-H"	44.97116
"1133688"	277.09236	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2Na-H"	44.97116
"177711"	255.110418	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+2Na"	45.978436
"617270"	371.171018	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+2Na"	45.978436
"1125148"	139.049818	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2Na"	45.978436
"1402113"	93.0356373333333	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H+2Na"	46.985712
"1435323"	279.133946	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H+HCOOH"	47.012746
"225016"	260.14344	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+3H2O+2H"	56.04448
"1511987"	293.18599	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+IsoProp+H"	61.06479
"412045"	263.097388	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+Na+K"	61.952376
"782521"	379.157988	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+Na+K"	61.952376
"1675570"	147.036788	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Na+K"	61.952376
"258807"	528.258168	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+ACN+Na"	64.015768
"1234799"	296.136968	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+ACN+Na"	64.015768
"1721499"	296.160493	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+NH4+HCOOH"	64.039293
"1189044"	100.362951333333	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+3Na"	68.967654
"1662217"	301.115888	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Na+HCOOH"	68.994688
"166890"	541.16144	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+2K-H"	76.91904
"607543"	773.28264	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+2K-H"	76.91904
"1095338"	309.04024	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2K-H"	76.91904
"156169"	271.084358	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"2M+2K"	77.926316
"595970"	387.144958	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"3M+2K"	77.926316
"1079509"	155.023758	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2K"	77.926316
"1107249"	311.054792	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2K+H"	78.933592
"1341449"	311.142407	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+DMSO+H"	79.021207
"1012528"	315.181576	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2ACN+H"	83.060376
"1529199"	316.175208	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+IsoProp+Na+H"	84.054008
"995647"	158.094426	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+2ACN+2H"	84.067652
"1591245"	317.089828	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+K+HCOOH"	84.968628
"1415811"	347.121338	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+H+CF3COOH"	115.000138
"1149382"	178.607701	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+3ACN+2H"	125.094202
"1700026"	364.147885	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+NH4+CF3COOH"	132.026685
"1640055"	369.10328	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+Na+CF3COOH"	136.98208
"1574611"	385.07722	"C07617"	"Aminoglutethimide"	"C13H16N2O2"	"232.1212"	"M+K+CF3COOH"	152.95602
"810446"	310.1933	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M"	0
"981791"	291.17491	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-H2O-H"	-19.01839
"75508"	205.788257333333	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M-3H"	-3.021828
"515798"	309.186024	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M-3H"	-3.021828
"892505"	102.390490666667	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-3H"	-3.021828
"12903"	309.186024	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M-2H"	-2.014552
"453191"	464.282674	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M-2H"	-2.014552
"826619"	154.089374	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-2H"	-2.014552
"85516"	619.379324	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M-H"	-1.007276
"525076"	929.572624	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M-H"	-1.007276
"898868"	309.186024	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-H"	-1.007276
"52878"	636.405871	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M-2H+NH4"	16.019271
"489157"	946.599171	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M-2H+NH4"	16.019271
"873527"	326.212571	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-2H+NH4"	16.019271
"33773"	641.361266	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M-2H+Na"	20.974666
"475520"	951.554566	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M-2H+Na"	20.974666
"855510"	331.167966	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-2H+Na"	20.974666
"1626136"	331.167966	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Na-2H"	20.974666
"105946"	327.174363	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M-H+Cl"	33.962126
"548666"	482.271013	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M-H+Cl"	33.962126
"936834"	172.077713	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-H+Cl"	33.962126
"276485"	655.356002	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+Cl"	34.969402
"674010"	965.549302	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+Cl"	34.969402
"1282403"	345.162702	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Cl"	34.969402
"22771"	657.335206	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M-2H+K"	36.948606
"463426"	967.528506	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M-2H+K"	36.948606
"836854"	347.141906	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-2H+K"	36.948606
"1558154"	347.141906	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+K-2H"	36.948606
"949317"	355.191494	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-H+HCOOH"	44.998194
"365346"	665.384801	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+HCOOH-H"	44.998201
"351416"	679.400451	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+Hac-H"	59.013851
"1499527"	369.207151	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Hac-H"	59.013851
"968892"	377.173451	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-H+NaCOOH"	66.980151
"125335"	345.162702	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+2Cl"	69.938804
"562831"	500.259352	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+2Cl"	69.938804
"1035882"	190.066052	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2Cl"	69.938804
"1252300"	389.112185	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Br"	78.918885
"1318393"	391.168172	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Cl+HCOOH"	80.974872
"1330057"	413.150129	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Cl+NaCOOH"	102.956829
"924032"	423.178886	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M-H+CF3COOH"	112.985586
"1300010"	459.155564	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Cl+CF3COOH"	148.962264
"1375984"	275.180624	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H-2H2O"	-35.012676
"1395306"	293.1906	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H-H2O"	-17.0027
"296447"	621.393876	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+H"	1.007276
"686685"	931.587176	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+H"	1.007276
"1363036"	311.200576	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H"	1.007276
"135926"	311.200576	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+2H"	2.014552
"575489"	466.297226	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+2H"	2.014552
"1048300"	156.103926	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2H"	2.014552
"213286"	207.802809333333	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+3H"	3.021828
"655762"	311.200576	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+3H"	3.021828
"1176439"	104.405042666667	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+3H"	3.021828
"434241"	638.420423	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+NH4"	18.033823
"791956"	948.613723	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+NH4"	18.033823
"1686100"	328.227123	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+NH4"	18.033823
"335472"	319.7138495	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+H+NH4"	19.041099
"731175"	474.8104995	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+H+NH4"	19.041099
"1486092"	164.6171995	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H+NH4"	19.041099
"406963"	643.375818	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+Na"	22.989218
"765773"	953.569118	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+Na"	22.989218
"1616057"	333.182518	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Na"	22.989218
"320625"	322.191547	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+H+Na"	23.996494
"715236"	477.288197	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+H+Na"	23.996494
"1469056"	167.094897	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H+Na"	23.996494
"1065582"	111.732356666667	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2H+Na"	25.00377
"1269448"	343.226786	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+CH3OH+H"	33.033486
"390210"	659.349758	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+K"	38.963158
"752298"	969.543058	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+K"	38.963158
"1551071"	349.156458	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+K"	38.963158
"311527"	330.178517	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+H+K"	39.970434
"703949"	485.275167	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+H+K"	39.970434
"1459593"	175.081867	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H+K"	39.970434
"250504"	662.420426	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+ACN+H"	42.033826
"1223455"	352.227126	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+ACN+H"	42.033826
"1205883"	176.617201	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+ACN+2H"	43.041102
"193649"	665.35776	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+2Na-H"	44.97116
"630659"	975.55106	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+2Na-H"	44.97116
"1134530"	355.16446	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2Na-H"	44.97116
"175268"	333.182518	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+2Na"	45.978436
"615557"	488.279168	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+2Na"	45.978436
"1119788"	178.085868	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2Na"	45.978436
"1403314"	119.059670666667	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H+2Na"	46.985712
"1436521"	357.206046	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H+HCOOH"	47.012746
"225123"	338.21554	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+3H2O+2H"	56.04448
"1513184"	371.25809	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+IsoProp+H"	61.06479
"410325"	341.169488	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+Na+K"	61.952376
"777156"	496.266138	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+Na+K"	61.952376
"1677868"	186.072838	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Na+K"	61.952376
"257827"	684.402368	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+ACN+Na"	64.015768
"1231626"	374.209068	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+ACN+Na"	64.015768
"1721605"	374.232593	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+NH4+HCOOH"	64.039293
"1186962"	126.386984666667	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+3Na"	68.967654
"1659040"	379.187988	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Na+HCOOH"	68.994688
"168092"	697.30564	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+2K-H"	76.91904
"606557"	1007.49894	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+2K-H"	76.91904
"1093259"	387.11234	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2K-H"	76.91904
"156768"	349.156458	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"2M+2K"	77.926316
"595836"	504.253108	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"3M+2K"	77.926316
"1079619"	194.059808	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2K"	77.926316
"1106269"	389.126892	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2K+H"	78.933592
"1341559"	389.214507	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+DMSO+H"	79.021207
"1012277"	393.253676	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2ACN+H"	83.060376
"1529310"	394.247308	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+IsoProp+Na+H"	84.054008
"993570"	197.130476	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+2ACN+2H"	84.067652
"1591354"	395.161928	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+K+HCOOH"	84.968628
"1415557"	425.193438	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+H+CF3COOH"	115.000138
"1151678"	217.643751	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+3ACN+2H"	125.094202
"1697949"	442.219985	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+NH4+CF3COOH"	132.026685
"1640165"	447.17538	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+Na+CF3COOH"	136.98208
"1574721"	463.14932	"C07618"	"Mestranol"	"C21H26O2"	"310.1933"	"M+K+CF3COOH"	152.95602
"810556"	364.2402	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M"	0
"981901"	345.22181	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-H2O-H"	-19.01839
"75619"	241.819524	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M-3H"	-3.021828
"515908"	363.232924	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M-3H"	-3.021828
"892982"	120.406124	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-3H"	-3.021828
"13137"	363.232924	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M-2H"	-2.014552
"453300"	545.353024	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M-2H"	-2.014552
"828917"	181.112824	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-2H"	-2.014552
"87814"	727.473124	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M-H"	-1.007276
"527373"	1091.713324	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M-H"	-1.007276
"900802"	363.232924	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-H"	-1.007276
"55176"	744.499671	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M-2H+NH4"	16.019271
"489634"	1108.739871	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M-2H+NH4"	16.019271
"872544"	380.259471	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-2H+NH4"	16.019271
"36070"	749.455066	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M-2H+Na"	20.974666
"477817"	1113.695266	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M-2H+Na"	20.974666
"858900"	385.214866	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-2H+Na"	20.974666
"1626246"	385.214866	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Na-2H"	20.974666
"106056"	381.221263	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M-H+Cl"	33.962126
"547804"	563.341363	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M-H+Cl"	33.962126
"936944"	199.101163	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-H+Cl"	33.962126
"274409"	763.449802	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+Cl"	34.969402
"670111"	1127.690002	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+Cl"	34.969402
"1280327"	399.209602	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Cl"	34.969402
"19601"	765.429006	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M-2H+K"	36.948606
"462443"	1129.669206	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M-2H+K"	36.948606
"836964"	401.188806	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-2H+K"	36.948606
"1560451"	401.188806	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+K-2H"	36.948606
"947241"	409.238394	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-H+HCOOH"	44.998194
"364363"	773.478601	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+HCOOH-H"	44.998201
"349704"	787.494251	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+Hac-H"	59.013851
"1500730"	423.254051	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Hac-H"	59.013851
"970095"	431.220351	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-H+NaCOOH"	66.980151
"120095"	399.209602	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+2Cl"	69.938804
"564032"	581.329702	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+2Cl"	69.938804
"1035020"	217.089502	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2Cl"	69.938804
"1255326"	443.159085	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Br"	78.918885
"1315951"	445.215072	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Cl+HCOOH"	80.974872
"1331989"	467.197029	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Cl+NaCOOH"	102.956829
"921224"	477.225786	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M-H+CF3COOH"	112.985586
"1289058"	513.202464	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Cl+CF3COOH"	148.962264
"1369533"	329.227524	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H-2H2O"	-35.012676
"1394320"	347.2375	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H-H2O"	-17.0027
"294007"	729.487676	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+H"	1.007276
"677680"	1093.727876	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+H"	1.007276
"1356582"	365.247476	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H"	1.007276
"129473"	365.247476	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+2H"	2.014552
"567942"	547.367576	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+2H"	2.014552
"1042573"	183.127376	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2H"	2.014552
"214486"	243.834076	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+3H"	3.021828
"657694"	365.247476	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+3H"	3.021828
"1176912"	122.420676	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+3H"	3.021828
"434351"	746.514223	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+NH4"	18.033823
"792066"	1110.754423	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+NH4"	18.033823
"1687302"	382.274023	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+NH4"	18.033823
"336675"	373.7607495	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+H+NH4"	19.041099
"730192"	555.8808495	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+H+NH4"	19.041099
"1487295"	191.6406495	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H+NH4"	19.041099
"406708"	751.469618	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+Na"	22.989218
"766979"	1115.709818	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+Na"	22.989218
"1612890"	387.229418	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Na"	22.989218
"323651"	376.238447	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+H+Na"	23.996494
"715346"	558.358547	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+H+Na"	23.996494
"1468073"	194.118347	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H+Na"	23.996494
"1065692"	129.74799	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2H+Na"	25.00377
"1271381"	397.273686	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+CH3OH+H"	33.033486
"391413"	767.443558	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+K"	38.963158
"752772"	1131.683758	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+K"	38.963158
"1551181"	403.203358	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+K"	38.963158
"310544"	384.225417	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+H+K"	39.970434
"705152"	566.345517	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+H+K"	39.970434
"1457880"	202.105317	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H+K"	39.970434
"250008"	770.514226	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+ACN+H"	42.033826
"1222108"	406.274026	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+ACN+H"	42.033826
"1205263"	203.640651	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+ACN+2H"	43.041102
"197039"	773.45156	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+2Na-H"	44.97116
"634415"	1137.69176	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+2Na-H"	44.97116
"1135002"	409.21136	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2Na-H"	44.97116
"176470"	387.229418	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+2Na"	45.978436
"617123"	569.349518	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+2Na"	45.978436
"1120263"	205.109318	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2Na"	45.978436
"1401600"	137.075304	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H+2Na"	46.985712
"1434445"	411.252946	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H+HCOOH"	47.012746
"225235"	392.26244	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+3H2O+2H"	56.04448
"1513296"	425.30499	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+IsoProp+H"	61.06479
"411895"	395.216388	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+Na+K"	61.952376
"773255"	577.336488	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+Na+K"	61.952376
"1667762"	213.096288	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Na+K"	61.952376
"256836"	792.496168	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+ACN+Na"	64.015768
"1231734"	428.255968	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+ACN+Na"	64.015768
"1720622"	428.279493	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+NH4+HCOOH"	64.039293
"1185249"	144.402618	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+3Na"	68.967654
"1658057"	433.234888	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Na+HCOOH"	68.994688
"166014"	805.39944	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+2K-H"	76.91904
"604481"	1169.63964	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+2K-H"	76.91904
"1093371"	441.15924	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2K-H"	76.91904
"152376"	403.203358	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"2M+2K"	77.926316
"595584"	585.323458	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"3M+2K"	77.926316
"1081916"	221.083258	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2K"	77.926316
"1107471"	443.173792	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2K+H"	78.933592
"1340575"	443.261407	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+DMSO+H"	79.021207
"1012388"	447.300576	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2ACN+H"	83.060376
"1531605"	448.294208	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+IsoProp+Na+H"	84.054008
"993680"	224.153926	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+2ACN+2H"	84.067652
"1591465"	449.208828	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+K+HCOOH"	84.968628
"1414939"	479.240338	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+H+CF3COOH"	115.000138
"1150694"	244.667201	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+3ACN+2H"	125.094202
"1702433"	496.266885	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+NH4+CF3COOH"	132.026685
"1640275"	501.22228	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+Na+CF3COOH"	136.98208
"1575924"	517.19622	"C07619"	"Quinestrol"	"C25H32O2"	"364.2402"	"M+K+CF3COOH"	152.95602
"811759"	268.1463	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M"	0
"982011"	249.12791	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-H2O-H"	-19.01839
"76822"	177.756924	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M-3H"	-3.021828
"516990"	267.139024	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M-3H"	-3.021828
"891633"	88.374824	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-3H"	-3.021828
"13490"	267.139024	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M-2H"	-2.014552
"453410"	401.212174	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M-2H"	-2.014552
"830121"	133.065874	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-2H"	-2.014552
"91205"	535.285324	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M-H"	-1.007276
"526390"	803.431624	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M-H"	-1.007276
"900912"	267.139024	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-H"	-1.007276
"55286"	552.311871	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M-2H+NH4"	16.019271
"490475"	820.458171	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M-2H+NH4"	16.019271
"872654"	284.165571	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-2H+NH4"	16.019271
"33990"	557.267266	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M-2H+Na"	20.974666
"475740"	825.413566	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M-2H+Na"	20.974666
"859010"	289.120966	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-2H+Na"	20.974666
"1624169"	289.120966	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Na-2H"	20.974666
"100699"	285.127363	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M-H+Cl"	33.962126
"546819"	419.200513	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M-H+Cl"	33.962126
"934866"	151.054213	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-H+Cl"	33.962126
"277798"	571.262002	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+Cl"	34.969402
"670221"	839.408302	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+Cl"	34.969402
"1283716"	303.115702	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Cl"	34.969402
"19711"	573.241206	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M-2H+K"	36.948606
"462552"	841.387506	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M-2H+K"	36.948606
"834886"	305.094906	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-2H+K"	36.948606
"1558374"	305.094906	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+K-2H"	36.948606
"947351"	313.144494	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-H+HCOOH"	44.998194
"366659"	581.290801	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+HCOOH-H"	44.998201
"350543"	595.306451	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+Hac-H"	59.013851
"1503755"	327.160151	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Hac-H"	59.013851
"972636"	335.126451	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-H+NaCOOH"	66.980151
"121298"	303.115702	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+2Cl"	69.938804
"561955"	437.188852	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+2Cl"	69.938804
"1035493"	169.042552	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2Cl"	69.938804
"1255072"	347.065185	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Br"	78.918885
"1316060"	349.121172	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Cl+HCOOH"	80.974872
"1332462"	371.103129	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Cl+NaCOOH"	102.956829
"921334"	381.131886	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M-H+CF3COOH"	112.985586
"1289413"	417.108564	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Cl+CF3COOH"	148.962264
"1369643"	233.133624	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H-2H2O"	-35.012676
"1392608"	251.1436	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H-H2O"	-17.0027
"292295"	537.299876	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+H"	1.007276
"679612"	805.446176	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+H"	1.007276
"1357785"	269.153576	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H"	1.007276
"130676"	269.153576	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+2H"	2.014552
"570237"	403.226726	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+2H"	2.014552
"1039762"	135.080426	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2H"	2.014552
"211316"	179.771476	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+3H"	3.021828
"655250"	269.153576	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+3H"	3.021828
"1174469"	90.389376	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+3H"	3.021828
"431180"	554.326423	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+NH4"	18.033823
"793269"	822.472723	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+NH4"	18.033823
"1687412"	286.180123	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+NH4"	18.033823
"337878"	277.6668495	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+H+NH4"	19.041099
"731395"	411.7399995	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+H+NH4"	19.041099
"1487405"	143.5936995	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H+NH4"	19.041099
"407671"	559.281818	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+Na"	22.989218
"767086"	827.428118	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+Na"	22.989218
"1615186"	291.135518	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Na"	22.989218
"323032"	280.144547	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+H+Na"	23.996494
"716550"	414.217697	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+H+Na"	23.996494
"1469275"	146.071397	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H+Na"	23.996494
"1067627"	97.71669	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2H+Na"	25.00377
"1270761"	301.179786	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+CH3OH+H"	33.033486
"391523"	575.255758	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+K"	38.963158
"752882"	843.402058	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+K"	38.963158
"1553841"	307.109458	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+K"	38.963158
"311747"	288.131517	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+H+K"	39.970434
"701981"	422.204667	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+H+K"	39.970434
"1457259"	154.058367	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H+K"	39.970434
"249874"	578.326426	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+ACN+H"	42.033826
"1223674"	310.180126	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+ACN+H"	42.033826
"1207559"	155.593701	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+ACN+2H"	43.041102
"193868"	581.26376	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+2Na-H"	44.97116
"631972"	849.41006	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+2Na-H"	44.97116
"1133287"	313.11746	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2Na-H"	44.97116
"178040"	291.135518	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+2Na"	45.978436
"618693"	425.208668	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+2Na"	45.978436
"1121103"	157.062368	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2Na"	45.978436
"1401347"	105.044004	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H+2Na"	46.985712
"1432733"	315.159046	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H+HCOOH"	47.012746
"224252"	296.16854	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+3H2O+2H"	56.04448
"1512313"	329.21109	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+IsoProp+H"	61.06479
"413092"	299.122488	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+Na+K"	61.952376
"773358"	433.195638	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+Na+K"	61.952376
"1666415"	165.049338	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Na+K"	61.952376
"254754"	600.308368	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+ACN+Na"	64.015768
"1231844"	332.162068	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+ACN+Na"	64.015768
"1717451"	332.185593	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+NH4+HCOOH"	64.039293
"1186088"	112.371318	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+3Na"	68.967654
"1659260"	337.140988	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Na+HCOOH"	68.994688
"163938"	613.21164	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+2K-H"	76.91904
"604591"	881.35794	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+2K-H"	76.91904
"1092388"	345.06534	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2K-H"	76.91904
"152486"	307.109458	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"2M+2K"	77.926316
"595694"	441.182608	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"3M+2K"	77.926316
"1082027"	173.036308	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2K"	77.926316
"1109768"	347.079892	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2K+H"	78.933592
"1340686"	347.167507	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+DMSO+H"	79.021207
"1011405"	351.206676	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2ACN+H"	83.060376
"1529528"	352.200308	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+IsoProp+Na+H"	84.054008
"994883"	176.106976	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+2ACN+2H"	84.067652
"1592668"	353.114928	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+K+HCOOH"	84.968628
"1416142"	383.146438	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+H+CF3COOH"	115.000138
"1150804"	196.620251	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+3ACN+2H"	125.094202
"1703636"	400.172985	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+NH4+CF3COOH"	132.026685
"1640385"	405.12838	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+Na+CF3COOH"	136.98208
"1574941"	421.10232	"C07620"	"Diethylstilbestrol;DES"	"C18H20O2"	"268.1463"	"M+K+CF3COOH"	152.95602
"811869"	286.1569	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M"	0
"982121"	267.13851	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-H2O-H"	-19.01839
"78025"	189.763990666667	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M-3H"	-3.021828
"518242"	285.149624	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M-3H"	-3.021828
"895228"	94.3783573333333	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-3H"	-3.021828
"15261"	285.149624	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M-2H"	-2.014552
"455532"	428.228074	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M-2H"	-2.014552
"832730"	142.071174	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-2H"	-2.014552
"90220"	571.306524	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M-H"	-1.007276
"525405"	857.463424	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M-H"	-1.007276
"901021"	285.149624	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-H"	-1.007276
"49927"	588.333071	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M-2H+NH4"	16.019271
"499333"	874.489971	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M-2H+NH4"	16.019271
"876043"	302.176171	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-2H+NH4"	16.019271
"41757"	593.288466	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M-2H+Na"	20.974666
"479130"	879.445366	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M-2H+Na"	20.974666
"856932"	307.131566	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-2H+Na"	20.974666
"1627559"	307.131566	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Na-2H"	20.974666
"97529"	303.137963	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M-H+Cl"	33.962126
"544742"	446.216413	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M-H+Cl"	33.962126
"934976"	160.059513	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-H+Cl"	33.962126
"277908"	607.283202	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+Cl"	34.969402
"672517"	893.440102	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+Cl"	34.969402
"1283826"	321.126302	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Cl"	34.969402
"19821"	609.262406	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M-2H+K"	36.948606
"463755"	895.419306	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M-2H+K"	36.948606
"836089"	323.105506	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-2H+K"	36.948606
"1558848"	323.105506	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+K-2H"	36.948606
"948554"	331.155094	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-H+HCOOH"	44.998194
"366769"	617.312001	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+HCOOH-H"	44.998201
"350653"	631.327651	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+Hac-H"	59.013851
"1503865"	345.170751	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Hac-H"	59.013851
"972866"	353.137051	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-H+NaCOOH"	66.980151
"121408"	321.126302	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+2Cl"	69.938804
"562065"	464.204752	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+2Cl"	69.938804
"1035481"	178.047852	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2Cl"	69.938804
"1254819"	365.075785	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Br"	78.918885
"1317266"	367.131772	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Cl+HCOOH"	80.974872
"1332572"	389.113729	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Cl+NaCOOH"	102.956829
"920351"	399.142486	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M-H+CF3COOH"	112.985586
"1289403"	435.119164	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Cl+CF3COOH"	148.962264
"1370845"	251.144224	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H-2H2O"	-35.012676
"1393811"	269.1542	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H-H2O"	-17.0027
"293498"	573.321076	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+H"	1.007276
"678264"	859.477976	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+H"	1.007276
"1353519"	287.164176	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H"	1.007276
"128599"	287.164176	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+2H"	2.014552
"567428"	430.242626	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+2H"	2.014552
"1037682"	144.085726	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2H"	2.014552
"213613"	191.778542666667	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+3H"	3.021828
"653174"	287.164176	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+3H"	3.021828
"1174579"	96.3929093333333	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+3H"	3.021828
"428010"	590.347623	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+NH4"	18.033823
"792286"	876.504523	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+NH4"	18.033823
"1687523"	304.190723	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+NH4"	18.033823
"336895"	295.6774495	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+H+NH4"	19.041099
"730412"	438.7558995	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+H+NH4"	19.041099
"1484236"	152.5989995	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H+NH4"	19.041099
"407292"	595.303018	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+Na"	22.989218
"769382"	881.459918	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+Na"	22.989218
"1617485"	309.146118	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Na"	22.989218
"324965"	298.155147	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+H+Na"	23.996494
"719940"	441.233597	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+H+Na"	23.996494
"1472666"	155.076697	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H+Na"	23.996494
"1063726"	103.720223333333	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2H+Na"	25.00377
"1268684"	319.190386	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+CH3OH+H"	33.033486
"390176"	611.276958	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+K"	38.963158
"750440"	897.433858	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+K"	38.963158
"1552857"	325.120058	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+K"	38.963158
"310399"	306.142117	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+H+K"	39.970434
"699904"	449.220567	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+H+K"	39.970434
"1455908"	163.063667	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H+K"	39.970434
"249982"	614.347626	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+ACN+H"	42.033826
"1220502"	328.190726	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+ACN+H"	42.033826
"1208398"	164.599001	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+ACN+2H"	43.041102
"198352"	617.28496	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+2Na-H"	44.97116
"635729"	903.44186	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+2Na-H"	44.97116
"1135588"	331.12806	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2Na-H"	44.97116
"178514"	309.146118	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+2Na"	45.978436
"619167"	452.224568	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+2Na"	45.978436
"1119391"	166.067668	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2Na"	45.978436
"1400729"	111.047537333333	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H+2Na"	46.985712
"1431871"	333.169646	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H+HCOOH"	47.012746
"223269"	314.17914	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+3H2O+2H"	56.04448
"1513516"	347.22169	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+IsoProp+H"	61.06479
"412109"	317.133088	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+Na+K"	61.952376
"772009"	460.211538	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+Na+K"	61.952376
"1666525"	174.054638	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Na+K"	61.952376
"252071"	636.329568	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+ACN+Na"	64.015768
"1231955"	350.172668	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+ACN+Na"	64.015768
"1718656"	350.196193	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+NH4+HCOOH"	64.039293
"1181822"	118.374851333333	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+3Na"	68.967654
"1655361"	355.151588	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Na+HCOOH"	68.994688
"162952"	649.23284	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+2K-H"	76.91904
"602150"	935.38974	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+2K-H"	76.91904
"1093592"	363.07594	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2K-H"	76.91904
"152596"	325.120058	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"2M+2K"	77.926316
"596046"	468.198508	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"3M+2K"	77.926316
"1082748"	182.041608	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2K"	77.926316
"1107691"	365.090492	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2K+H"	78.933592
"1338974"	365.178107	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+DMSO+H"	79.021207
"1009328"	369.217276	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2ACN+H"	83.060376
"1530732"	370.210908	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+IsoProp+Na+H"	84.054008
"993900"	185.112276	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+2ACN+2H"	84.067652
"1592778"	371.125528	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+K+HCOOH"	84.968628
"1418439"	401.157038	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+H+CF3COOH"	115.000138
"1150914"	205.625551	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+3ACN+2H"	125.094202
"1698279"	418.183585	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+NH4+CF3COOH"	132.026685
"1640495"	423.13898	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+Na+CF3COOH"	136.98208
"1575051"	439.11292	"C07621"	"Methallenestril"	"C18H22O3"	"286.1569"	"M+K+CF3COOH"	152.95602
"811979"	349.115	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M"	0
"978951"	330.09661	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-H2O-H"	-19.01839
"76678"	231.736057333333	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M-3H"	-3.021828
"516965"	348.107724	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M-3H"	-3.021828
"892944"	115.364390666667	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-3H"	-3.021828
"10789"	348.107724	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M-2H"	-2.014552
"452905"	522.665224	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M-2H"	-2.014552
"830707"	173.550224	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-2H"	-2.014552
"90330"	697.222724	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M-H"	-1.007276
"526608"	1046.337724	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M-H"	-1.007276
"901131"	348.107724	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-H"	-1.007276
"61947"	714.249271	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M-2H+NH4"	16.019271
"496163"	1063.364271	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M-2H+NH4"	16.019271
"876152"	365.134271	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-2H+NH4"	16.019271
"38587"	719.204666	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M-2H+Na"	20.974666
"482520"	1068.319666	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M-2H+Na"	20.974666
"853762"	370.089666	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-2H+Na"	20.974666
"1620376"	370.089666	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Na-2H"	20.974666
"96175"	366.096063	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M-H+Cl"	33.962126
"535492"	540.653563	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M-H+Cl"	33.962126
"938367"	191.538563	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-H+Cl"	33.962126
"275831"	733.199402	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+Cl"	34.969402
"666065"	1082.314402	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+Cl"	34.969402
"1280656"	384.084402	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Cl"	34.969402
"18836"	735.178606	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M-2H+K"	36.948606
"461679"	1084.293606	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M-2H+K"	36.948606
"834133"	386.063606	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-2H+K"	36.948606
"1559689"	386.063606	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+K-2H"	36.948606
"947571"	394.113194	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-H+HCOOH"	44.998194
"362259"	743.228201	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+HCOOH-H"	44.998201
"345932"	757.243851	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+Hac-H"	59.013851
"1503975"	408.128851	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Hac-H"	59.013851
"972610"	416.095151	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-H+NaCOOH"	66.980151
"122980"	384.084402	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+2Cl"	69.938804
"561815"	558.641902	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+2Cl"	69.938804
"1034984"	209.526902	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2Cl"	69.938804
"1254924"	428.033885	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Br"	78.918885
"1315191"	430.089872	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Cl+HCOOH"	80.974872
"1331228"	452.071829	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Cl+NaCOOH"	102.956829
"921554"	462.100586	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M-H+CF3COOH"	112.985586
"1294253"	498.077264	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Cl+CF3COOH"	148.962264
"1367265"	314.102324	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H-2H2O"	-35.012676
"1389546"	332.1123	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H-H2O"	-17.0027
"287045"	699.237276	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+H"	1.007276
"678374"	1048.352276	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+H"	1.007276
"1356912"	350.122276	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H"	1.007276
"130896"	350.122276	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+2H"	2.014552
"566809"	524.679776	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+2H"	2.014552
"1037913"	175.564776	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2H"	2.014552
"213723"	233.750609333333	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+3H"	3.021828
"655470"	350.122276	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+3H"	3.021828
"1173595"	117.378942666667	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+3H"	3.021828
"427025"	716.263823	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+NH4"	18.033823
"787655"	1065.378823	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+NH4"	18.033823
"1682889"	367.148823	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+NH4"	18.033823
"332993"	358.6355495	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+H+NH4"	19.041099
"731617"	533.1930495	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+H+NH4"	19.041099
"1489814"	184.0780495	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H+NH4"	19.041099
"403026"	721.219218	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+Na"	22.989218
"769836"	1070.334218	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+Na"	22.989218
"1618364"	372.104218	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Na"	22.989218
"325439"	361.113247	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+H+Na"	23.996494
"721145"	535.670747	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+H+Na"	23.996494
"1472776"	186.555747	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H+Na"	23.996494
"1067846"	124.706256666667	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2H+Na"	25.00377
"1269887"	382.148486	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+CH3OH+H"	33.033486
"391015"	737.193158	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+K"	38.963158
"751646"	1086.308158	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+K"	38.963158
"1553332"	388.078158	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+K"	38.963158
"310874"	369.100217	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+H+K"	39.970434
"701108"	543.657717	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+H+K"	39.970434
"1456018"	194.542717	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H+K"	39.970434
"249972"	740.263826	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+ACN+H"	42.033826
"1219519"	391.148826	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+ACN+H"	42.033826
"1206321"	196.078051	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+ACN+2H"	43.041102
"197369"	743.20116	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+2Na-H"	44.97116
"635839"	1092.31616	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+2Na-H"	44.97116
"1132903"	394.08616	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2Na-H"	44.97116
"175101"	372.104218	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+2Na"	45.978436
"618913"	546.661718	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+2Na"	45.978436
"1122418"	197.546718	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2Na"	45.978436
"1405943"	132.033570666667	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H+2Na"	46.985712
"1434778"	396.127746	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H+HCOOH"	47.012746
"225567"	377.13724	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+3H2O+2H"	56.04448
"1511439"	410.17979	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+IsoProp+H"	61.06479
"412583"	380.091188	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+Na+K"	61.952376
"771028"	554.648688	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+Na+K"	61.952376
"1665903"	205.533688	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Na+K"	61.952376
"251696"	762.245768	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+ACN+Na"	64.015768
"1229878"	413.130768	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+ACN+Na"	64.015768
"1719860"	413.154293	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+NH4+HCOOH"	64.039293
"1179013"	139.360884666667	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+3Na"	68.967654
"1653285"	418.109688	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Na+HCOOH"	68.994688
"161240"	775.14904	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+2K-H"	76.91904
"604812"	1124.26404	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+2K-H"	76.91904
"1093702"	426.03404	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2K-H"	76.91904
"152706"	388.078158	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"2M+2K"	77.926316
"595547"	562.635658	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"3M+2K"	77.926316
"1081153"	213.520658	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2K"	77.926316
"1108896"	428.048592	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2K+H"	78.933592
"1347468"	428.136207	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+DMSO+H"	79.021207
"1010532"	432.175376	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2ACN+H"	83.060376
"1530843"	433.169008	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+IsoProp+Na+H"	84.054008
"999480"	216.591326	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+2ACN+2H"	84.067652
"1596170"	434.083628	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+K+HCOOH"	84.968628
"1417457"	464.115138	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+H+CF3COOH"	115.000138
"1151025"	237.104601	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+3ACN+2H"	125.094202
"1702765"	481.141685	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+NH4+CF3COOH"	132.026685
"1637322"	486.09708	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+Na+CF3COOH"	136.98208
"1581722"	502.07102	"C07622"	"Voriconazole;Vfend"	"C16H14F3N5O"	"349.115"	"M+K+CF3COOH"	152.95602
"812089"	286.1542	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M"	0
"979061"	267.13581	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-H2O-H"	-19.01839
"76666"	189.762190666667	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M-3H"	-3.021828
"516710"	285.146924	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M-3H"	-3.021828
"893418"	94.3774573333333	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-3H"	-3.021828
"9806"	285.146924	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M-2H"	-2.014552
"453379"	428.224024	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M-2H"	-2.014552
"830452"	142.069824	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-2H"	-2.014552
"88254"	571.301124	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M-H"	-1.007276
"526718"	857.455324	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M-H"	-1.007276
"901241"	285.146924	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-H"	-1.007276
"61814"	588.327671	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M-2H+NH4"	16.019271
"499553"	874.481871	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M-2H+NH4"	16.019271
"876262"	302.173471	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-2H+NH4"	16.019271
"35417"	593.283066	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M-2H+Na"	20.974666
"482630"	879.437266	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M-2H+Na"	20.974666
"857152"	307.128866	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-2H+Na"	20.974666
"1619394"	307.128866	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Na-2H"	20.974666
"97746"	303.135263	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M-H+Cl"	33.962126
"535483"	446.212363	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M-H+Cl"	33.962126
"928634"	160.058163	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-H+Cl"	33.962126
"269379"	607.277802	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+Cl"	34.969402
"666174"	893.432002	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+Cl"	34.969402
"1280766"	321.123602	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Cl"	34.969402
"16759"	609.257006	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M-2H+K"	36.948606
"461789"	895.411206	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M-2H+K"	36.948606
"835215"	323.102806	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-2H+K"	36.948606
"1561985"	323.102806	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+K-2H"	36.948606
"946586"	331.152394	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-H+HCOOH"	44.998194
"362612"	617.306601	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+HCOOH-H"	44.998201
"346860"	631.322251	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+Hac-H"	59.013851
"1504085"	345.168051	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Hac-H"	59.013851
"972720"	353.134351	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-H+NaCOOH"	66.980151
"119440"	321.123602	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+2Cl"	69.938804
"565198"	464.200702	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+2Cl"	69.938804
"1035457"	178.046502	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2Cl"	69.938804
"1255034"	365.073085	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Br"	78.918885
"1315300"	367.129072	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Cl+HCOOH"	80.974872
"1332796"	389.111029	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Cl+NaCOOH"	102.956829
"921664"	399.139786	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M-H+CF3COOH"	112.985586
"1296186"	435.116464	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Cl+CF3COOH"	148.962264
"1368147"	251.141524	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H-2H2O"	-35.012676
"1391846"	269.1515	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H-H2O"	-17.0027
"291531"	573.315676	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+H"	1.007276
"681768"	859.469876	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+H"	1.007276
"1357024"	287.161476	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H"	1.007276
"133194"	287.161476	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+2H"	2.014552
"570565"	430.238576	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+2H"	2.014552
"1040460"	144.084376	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2H"	2.014552
"208366"	191.776742666667	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+3H"	3.021828
"650113"	287.161476	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+3H"	3.021828
"1166050"	96.3920093333333	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+3H"	3.021828
"426763"	590.342223	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+NH4"	18.033823
"790318"	876.496423	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+NH4"	18.033823
"1686651"	304.188023	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+NH4"	18.033823
"337116"	295.6747495	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+H+NH4"	19.041099
"736109"	438.7518495	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+H+NH4"	19.041099
"1491265"	152.5976495	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H+NH4"	19.041099
"399856"	595.297618	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+Na"	22.989218
"769123"	881.451818	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+Na"	22.989218
"1617830"	309.143418	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Na"	22.989218
"326645"	298.152447	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+H+Na"	23.996494
"719432"	441.229547	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+H+Na"	23.996494
"1474712"	155.075347	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H+Na"	23.996494
"1067593"	103.719323333333	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2H+Na"	25.00377
"1271458"	319.187686	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+CH3OH+H"	33.033486
"392219"	611.271558	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+K"	38.963158
"751027"	897.425758	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+K"	38.963158
"1550529"	325.117358	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+K"	38.963158
"310986"	306.139417	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+H+K"	39.970434
"704501"	449.216517	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+H+K"	39.970434
"1457590"	163.062317	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H+K"	39.970434
"248989"	614.342226	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+ACN+H"	42.033826
"1222548"	328.188026	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+ACN+H"	42.033826
"1207163"	164.597651	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+ACN+2H"	43.041102
"198573"	617.27956	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+2Na-H"	44.97116
"639229"	903.43376	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+2Na-H"	44.97116
"1136174"	331.12536	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2Na-H"	44.97116
"174237"	309.143418	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+2Na"	45.978436
"619023"	452.220518	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+2Na"	45.978436
"1122528"	166.066318	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2Na"	45.978436
"1410428"	111.046637333333	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H+2Na"	46.985712
"1430758"	333.166946	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H+HCOOH"	47.012746
"225677"	314.17644	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+3H2O+2H"	56.04448
"1512646"	347.21899	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+IsoProp+H"	61.06479
"412329"	317.130388	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+Na+K"	61.952376
"770412"	460.207488	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+Na+K"	61.952376
"1666055"	174.053288	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Na+K"	61.952376
"255093"	636.324168	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+ACN+Na"	64.015768
"1232179"	350.169968	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+ACN+Na"	64.015768
"1718877"	350.193493	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+NH4+HCOOH"	64.039293
"1186423"	118.373951333333	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+3Na"	68.967654
"1660691"	355.148888	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Na+HCOOH"	68.994688
"165361"	649.22744	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+2K-H"	76.91904
"604924"	935.38164	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+2K-H"	76.91904
"1092718"	363.07324	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2K-H"	76.91904
"156223"	325.117358	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"2M+2K"	77.926316
"596387"	468.194458	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"3M+2K"	77.926316
"1083330"	182.040258	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2K"	77.926316
"1110099"	365.087792	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2K+H"	78.933592
"1350737"	365.175407	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+DMSO+H"	79.021207
"1019387"	369.214576	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2ACN+H"	83.060376
"1529858"	370.208208	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+IsoProp+Na+H"	84.054008
"995213"	185.110926	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+2ACN+2H"	84.067652
"1591901"	371.122828	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+K+HCOOH"	84.968628
"1415741"	401.154338	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+H+CF3COOH"	115.000138
"1153322"	205.624201	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+3ACN+2H"	125.094202
"1702875"	418.180885	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+NH4+CF3COOH"	132.026685
"1637432"	423.13628	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+Na+CF3COOH"	136.98208
"1581832"	439.11022	"C07624"	"Abacavir"	"C14H18N6O"	"286.1542"	"M+K+CF3COOH"	152.95602
"812199"	319.1815	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M"	0
"985731"	300.16311	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-H2O-H"	-19.01839
"75803"	211.780390666667	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M-3H"	-3.021828
"516821"	318.174224	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M-3H"	-3.021828
"893528"	105.386557333333	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-3H"	-3.021828
"13201"	318.174224	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M-2H"	-2.014552
"453126"	477.764974	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M-2H"	-2.014552
"828741"	158.583474	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-2H"	-2.014552
"90922"	637.355724	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M-H"	-1.007276
"531206"	956.537224	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M-H"	-1.007276
"906819"	318.174224	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-H"	-1.007276
"59379"	654.382271	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M-2H+NH4"	16.019271
"497848"	973.563771	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M-2H+NH4"	16.019271
"874190"	335.200771	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-2H+NH4"	16.019271
"44402"	659.337666	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M-2H+Na"	20.974666
"483109"	978.519166	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M-2H+Na"	20.974666
"859452"	340.156166	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-2H+Na"	20.974666
"1627891"	340.156166	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Na-2H"	20.974666
"97859"	336.162563	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M-H+Cl"	33.962126
"545071"	495.753313	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M-H+Cl"	33.962126
"938585"	176.571813	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-H+Cl"	33.962126
"272768"	673.332402	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+Cl"	34.969402
"665192"	992.513902	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+Cl"	34.969402
"1277596"	354.150902	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Cl"	34.969402
"16501"	675.311606	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M-2H+K"	36.948606
"461899"	994.493106	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M-2H+K"	36.948606
"833053"	356.130106	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-2H+K"	36.948606
"1558813"	356.130106	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+K-2H"	36.948606
"946696"	364.179694	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-H+HCOOH"	44.998194
"362844"	683.361201	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+HCOOH-H"	44.998201
"346242"	697.376851	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+Hac-H"	59.013851
"1504195"	378.195351	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Hac-H"	59.013851
"970643"	386.161651	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-H+NaCOOH"	66.980151
"120643"	354.150902	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+2Cl"	69.938804
"565066"	513.741652	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+2Cl"	69.938804
"1035204"	194.560152	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2Cl"	69.938804
"1255144"	398.100385	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Br"	78.918885
"1317595"	400.156372	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Cl+HCOOH"	80.974872
"1332540"	422.138329	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Cl+NaCOOH"	102.956829
"916306"	432.167086	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M-H+CF3COOH"	112.985586
"1289733"	468.143764	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Cl+CF3COOH"	148.962264
"1367893"	284.168824	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H-2H2O"	-35.012676
"1389771"	302.1788	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H-H2O"	-17.0027
"291643"	639.370276	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+H"	1.007276
"678597"	958.551776	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+H"	1.007276
"1360415"	320.188776	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H"	1.007276
"134397"	320.188776	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+2H"	2.014552
"569582"	479.779526	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+2H"	2.014552
"1041663"	160.598026	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2H"	2.014552
"211756"	213.794942666667	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+3H"	3.021828
"650223"	320.188776	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+3H"	3.021828
"1167253"	107.401109333333	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+3H"	3.021828
"426510"	656.396823	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+NH4"	18.033823
"793711"	975.578323	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+NH4"	18.033823
"1686029"	337.215323	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+NH4"	18.033823
"337226"	328.7020495	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+H+NH4"	19.041099
"735851"	488.2927995	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+H+NH4"	19.041099
"1491254"	169.1112995	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H+NH4"	19.041099
"399966"	661.352218	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+Na"	22.989218
"769358"	980.533718	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+Na"	22.989218
"1618296"	342.170718	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Na"	22.989218
"325299"	331.179747	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+H+Na"	23.996494
"717720"	490.770497	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+H+Na"	23.996494
"1476286"	171.588997	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H+Na"	23.996494
"1068322"	114.728423333333	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2H+Na"	25.00377
"1271205"	352.214986	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+CH3OH+H"	33.033486
"391850"	677.326158	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+K"	38.963158
"753818"	996.507658	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+K"	38.963158
"1554045"	358.144658	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+K"	38.963158
"312071"	339.166717	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+H+K"	39.970434
"705828"	498.757467	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+H+K"	39.970434
"1457336"	179.575967	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H+K"	39.970434
"249220"	680.396826	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+ACN+H"	42.033826
"1223023"	361.215326	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+ACN+H"	42.033826
"1206908"	181.111301	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+ACN+2H"	43.041102
"197590"	683.33416	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+2Na-H"	44.97116
"637154"	1002.51566	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+2Na-H"	44.97116
"1131866"	364.15266	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2Na-H"	44.97116
"174351"	342.170718	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+2Na"	45.978436
"618042"	501.761468	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+2Na"	45.978436
"1122641"	182.579968	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2Na"	45.978436
"1409081"	122.055737333333	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H+2Na"	46.985712
"1438281"	366.194246	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H+HCOOH"	47.012746
"225788"	347.20374	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+3H2O+2H"	56.04448
"1512757"	380.24629	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+IsoProp+H"	61.06479
"409080"	350.157688	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+Na+K"	61.952376
"774537"	509.748438	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+Na+K"	61.952376
"1668681"	190.566938	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Na+K"	61.952376
"254476"	702.378768	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+ACN+Na"	64.015768
"1234476"	383.197268	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+ACN+Na"	64.015768
"1717895"	383.220793	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+NH4+HCOOH"	64.039293
"1186533"	129.383051333333	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+3Na"	68.967654
"1661894"	388.176188	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Na+HCOOH"	68.994688
"165472"	715.28204	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+2K-H"	76.91904
"603941"	1034.46354	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+2K-H"	76.91904
"1090641"	396.10054	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2K-H"	76.91904
"155725"	358.144658	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"2M+2K"	77.926316
"596255"	517.735408	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"3M+2K"	77.926316
"1082469"	198.553908	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2K"	77.926316
"1114098"	398.115092	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2K+H"	78.933592
"1350971"	398.202707	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+DMSO+H"	79.021207
"1020591"	402.241876	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2ACN+H"	83.060376
"1533247"	403.235508	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+IsoProp+Na+H"	84.054008
"999696"	201.624576	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+2ACN+2H"	84.067652
"1596385"	404.150128	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+K+HCOOH"	84.968628
"1416583"	434.181638	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+H+CF3COOH"	115.000138
"1152339"	222.137851	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+3ACN+2H"	125.094202
"1697879"	451.208185	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+NH4+CF3COOH"	132.026685
"1637542"	456.16358	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+Na+CF3COOH"	136.98208
"1575380"	472.13752	"C07625"	"Chloroquine"	"C18H26ClN3"	"319.1815"	"M+K+CF3COOH"	152.95602
"812310"	355.1451	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M"	0
"989369"	336.12671	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-H2O-H"	-19.01839
"77006"	235.756124	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M-3H"	-3.021828
"518026"	354.137824	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M-3H"	-3.021828
"895097"	117.374424	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-3H"	-3.021828
"14770"	354.137824	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M-2H"	-2.014552
"454695"	531.710374	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M-2H"	-2.014552
"828485"	176.565274	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-2H"	-2.014552
"91760"	709.282924	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M-H"	-1.007276
"530952"	1064.428024	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M-H"	-1.007276
"906929"	354.137824	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-H"	-1.007276
"60218"	726.309471	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M-2H+NH4"	16.019271
"497228"	1081.454571	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M-2H+NH4"	16.019271
"874299"	371.164371	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-2H+NH4"	16.019271
"42198"	731.264866	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M-2H+Na"	20.974666
"479572"	1086.409966	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M-2H+Na"	20.974666
"857374"	376.119766	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-2H+Na"	20.974666
"1628000"	376.119766	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Na-2H"	20.974666
"101249"	372.126163	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M-H+Cl"	33.962126
"538621"	549.698713	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M-H+Cl"	33.962126
"928854"	194.553613	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-H+Cl"	33.962126
"273971"	745.259602	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+Cl"	34.969402
"667485"	1100.404702	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+Cl"	34.969402
"1278798"	390.114502	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Cl"	34.969402
"17342"	747.238806	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M-2H+K"	36.948606
"459821"	1102.383906	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M-2H+K"	36.948606
"833976"	392.093706	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-2H+K"	36.948606
"1558557"	392.093706	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+K-2H"	36.948606
"948994"	400.143294	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-H+HCOOH"	44.998194
"365022"	755.288401	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+HCOOH-H"	44.998201
"348173"	769.304051	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+Hac-H"	59.013851
"1502118"	414.158951	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Hac-H"	59.013851
"970753"	422.125251	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-H+NaCOOH"	66.980151
"125128"	390.114502	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+2Cl"	69.938804
"563964"	567.687052	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+2Cl"	69.938804
"1034219"	212.541952	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2Cl"	69.938804
"1254161"	434.063985	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Br"	78.918885
"1316612"	436.119972	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Cl+HCOOH"	80.974872
"1333742"	458.101929	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Cl+NaCOOH"	102.956829
"918604"	468.130686	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M-H+CF3COOH"	112.985586
"1294217"	504.107364	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Cl+CF3COOH"	148.962264
"1368003"	320.132424	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H-2H2O"	-35.012676
"1384403"	338.1424	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H-H2O"	-17.0027
"291753"	711.297476	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+H"	1.007276
"680894"	1066.442576	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+H"	1.007276
"1359434"	356.152376	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H"	1.007276
"135603"	356.152376	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+2H"	2.014552
"567870"	533.724926	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+2H"	2.014552
"1039950"	178.579826	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2H"	2.014552
"206030"	237.770676	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+3H"	3.021828
"650332"	356.152376	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+3H"	3.021828
"1170644"	119.388976	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+3H"	3.021828
"428449"	728.324023	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+NH4"	18.033823
"787621"	1083.469123	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+NH4"	18.033823
"1691243"	373.178923	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+NH4"	18.033823
"336240"	364.6656495	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+H+NH4"	19.041099
"736325"	542.2381995	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+H+NH4"	19.041099
"1491239"	187.0930995	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H+NH4"	19.041099
"400075"	733.279418	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+Na"	22.989218
"769592"	1088.424518	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+Na"	22.989218
"1617689"	378.134318	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Na"	22.989218
"327598"	367.143347	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+H+Na"	23.996494
"721477"	544.715897	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+H+Na"	23.996494
"1474203"	189.570797	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H+Na"	23.996494
"1067333"	126.71629	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2H+Na"	25.00377
"1272173"	388.178586	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+CH3OH+H"	33.033486
"391837"	749.253358	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+K"	38.963158
"753685"	1104.398458	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+K"	38.963158
"1554037"	394.108258	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+K"	38.963158
"313278"	375.130317	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+H+K"	39.970434
"704725"	552.702867	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+H+K"	39.970434
"1458541"	197.557767	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H+K"	39.970434
"249330"	752.324026	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+ACN+H"	42.033826
"1222041"	397.178926	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+ACN+H"	42.033826
"1205924"	199.093101	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+ACN+2H"	43.041102
"195517"	755.26136	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+2Na-H"	44.97116
"630704"	1110.40646	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+2Na-H"	44.97116
"1133115"	400.11626	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2Na-H"	44.97116
"173610"	378.134318	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+2Na"	45.978436
"619246"	555.706868	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+2Na"	45.978436
"1120566"	200.561768	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2Na"	45.978436
"1406277"	134.043604	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H+2Na"	46.985712
"1438391"	402.157846	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H+HCOOH"	47.012746
"222620"	383.16734	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+3H2O+2H"	56.04448
"1515057"	416.20989	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+IsoProp+H"	61.06479
"410365"	386.121288	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+Na+K"	61.952376
"775740"	563.693838	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+Na+K"	61.952376
"1670979"	208.548738	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Na+K"	61.952376
"258594"	774.305968	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+ACN+Na"	64.015768
"1237867"	419.160868	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+ACN+Na"	64.015768
"1725659"	419.184393	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+NH4+HCOOH"	64.039293
"1193324"	141.370918	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+3Na"	68.967654
"1665168"	424.139788	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Na+HCOOH"	68.994688
"171537"	787.20924	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+2K-H"	76.91904
"611582"	1142.35434	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+2K-H"	76.91904
"1097309"	432.06414	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2K-H"	76.91904
"156443"	394.108258	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"2M+2K"	77.926316
"594787"	571.680808	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"3M+2K"	77.926316
"1083674"	216.535708	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2K"	77.926316
"1105946"	434.078692	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2K+H"	78.933592
"1339051"	434.166307	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+DMSO+H"	79.021207
"1015235"	438.205476	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2ACN+H"	83.060376
"1533360"	439.199108	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+IsoProp+Na+H"	84.054008
"1001993"	219.606376	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+2ACN+2H"	84.067652
"1593217"	440.113728	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+K+HCOOH"	84.968628
"1418879"	470.145238	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+H+CF3COOH"	115.000138
"1149168"	240.119651	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+3ACN+2H"	125.094202
"1697871"	487.171785	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+NH4+CF3COOH"	132.026685
"1644215"	492.12718	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+Na+CF3COOH"	136.98208
"1573304"	508.10112	"C07626"	"Amodiaquine"	"C20H22ClN3O"	"355.1451"	"M+K+CF3COOH"	152.95602
"812422"	259.1685	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M"	0
"988141"	240.15011	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-H2O-H"	-19.01839
"76389"	171.771724	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M-3H"	-3.021828
"512667"	258.161224	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M-3H"	-3.021828
"892656"	85.382224	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-3H"	-3.021828
"13416"	258.161224	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M-2H"	-2.014552
"454071"	387.745474	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M-2H"	-2.014552
"828595"	128.576974	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-2H"	-2.014552
"91866"	517.329724	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M-H"	-1.007276
"531427"	776.498224	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M-H"	-1.007276
"908625"	258.161224	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-H"	-1.007276
"59599"	534.356271	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M-2H+NH4"	16.019271
"493328"	793.524771	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M-2H+NH4"	16.019271
"871129"	275.187771	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-2H+NH4"	16.019271
"34656"	539.311666	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M-2H+Na"	20.974666
"482965"	798.480166	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M-2H+Na"	20.974666
"850926"	280.143166	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-2H+Na"	20.974666
"1628113"	280.143166	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Na-2H"	20.974666
"109258"	276.149563	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M-H+Cl"	33.962126
"544200"	405.733813	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M-H+Cl"	33.962126
"938807"	146.565313	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-H+Cl"	33.962126
"272989"	553.306402	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+Cl"	34.969402
"666504"	812.474902	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+Cl"	34.969402
"1277813"	294.137902	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Cl"	34.969402
"24746"	555.285606	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M-2H+K"	36.948606
"462117"	814.454106	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M-2H+K"	36.948606
"841017"	296.117106	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-2H+K"	36.948606
"1561224"	296.117106	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+K-2H"	36.948606
"951292"	304.166694	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-H+HCOOH"	44.998194
"365495"	563.335201	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+HCOOH-H"	44.998201
"349012"	577.350851	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+Hac-H"	59.013851
"1505876"	318.182351	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Hac-H"	59.013851
"971230"	326.148651	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-H+NaCOOH"	66.980151
"123052"	294.137902	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+2Cl"	69.938804
"561519"	423.722152	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+2Cl"	69.938804
"1031412"	164.553652	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2Cl"	69.938804
"1253177"	338.087385	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Br"	78.918885
"1310160"	340.143372	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Cl+HCOOH"	80.974872
"1325831"	362.125329	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Cl+NaCOOH"	102.956829
"917620"	372.154086	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M-H+CF3COOH"	112.985586
"1294327"	408.130764	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Cl+CF3COOH"	148.962264
"1367302"	224.155824	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H-2H2O"	-35.012676
"1383906"	242.1658	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H-H2O"	-17.0027
"287489"	519.344276	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+H"	1.007276
"678817"	778.512776	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+H"	1.007276
"1352978"	260.175776	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H"	1.007276
"126352"	260.175776	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+2H"	2.014552
"566274"	389.760026	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+2H"	2.014552
"1037381"	130.591526	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2H"	2.014552
"209789"	173.786276	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+3H"	3.021828
"649350"	260.175776	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+3H"	3.021828
"1168567"	87.396776	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+3H"	3.021828
"430747"	536.370823	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+NH4"	18.033823
"793929"	795.539323	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+NH4"	18.033823
"1689169"	277.202323	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+NH4"	18.033823
"336358"	268.6890495	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+H+NH4"	19.041099
"736801"	398.2732995	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+H+NH4"	19.041099
"1485881"	139.1047995	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H+NH4"	19.041099
"401277"	541.326218	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+Na"	22.989218
"769658"	800.494718	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+Na"	22.989218
"1618353"	282.157718	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Na"	22.989218
"325889"	271.166747	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+H+Na"	23.996494
"718310"	400.750997	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+H+Na"	23.996494
"1469946"	141.582497	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H+Na"	23.996494
"1056992"	94.72409	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2H+Na"	25.00377
"1261589"	292.201986	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+CH3OH+H"	33.033486
"386724"	557.300158	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+K"	38.963158
"751729"	816.468658	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+K"	38.963158
"1553782"	298.131658	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+K"	38.963158
"306947"	279.153717	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+H+K"	39.970434
"702648"	408.737967	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+H+K"	39.970434
"1454282"	149.569467	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H+K"	39.970434
"240697"	560.370826	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+ACN+H"	42.033826
"1221060"	301.202326	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+ACN+H"	42.033826
"1201660"	151.104801	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+ACN+2H"	43.041102
"190521"	563.30816	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+2Na-H"	44.97116
"635188"	822.47666	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+2Na-H"	44.97116
"1134320"	304.13966	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2Na-H"	44.97116
"177611"	282.157718	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+2Na"	45.978436
"617171"	411.741968	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+2Na"	45.978436
"1118489"	152.573468	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2Na"	45.978436
"1399946"	102.051404	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H+2Na"	46.985712
"1434127"	306.181246	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H+HCOOH"	47.012746
"220907"	287.19074	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+3H2O+2H"	56.04448
"1512246"	320.23329	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+IsoProp+H"	61.06479
"410357"	290.144688	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+Na+K"	61.952376
"773665"	419.728938	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+Na+K"	61.952376
"1671092"	160.560438	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Na+K"	61.952376
"260896"	582.352768	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+ACN+Na"	64.015768
"1232510"	323.184268	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+ACN+Na"	64.015768
"1721398"	323.207793	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+NH4+HCOOH"	64.039293
"1192590"	109.378718	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+3Na"	68.967654
"1664302"	328.163188	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Na+HCOOH"	68.994688
"167884"	595.25604	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+2K-H"	76.91904
"606350"	854.42454	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+2K-H"	76.91904
"1095236"	336.08754	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2K-H"	76.91904
"154239"	298.131658	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"2M+2K"	77.926316
"594893"	427.715908	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"3M+2K"	77.926316
"1079407"	168.547408	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2K"	77.926316
"1110431"	338.102092	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2K+H"	78.933592
"1344629"	338.189707	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+DMSO+H"	79.021207
"1014252"	342.228876	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2ACN+H"	83.060376
"1538819"	343.222508	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+IsoProp+Na+H"	84.054008
"997730"	171.618076	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+2ACN+2H"	84.067652
"1593327"	344.137128	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+K+HCOOH"	84.968628
"1415342"	374.168638	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+H+CF3COOH"	115.000138
"1149276"	192.131351	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+3ACN+2H"	125.094202
"1697736"	391.195185	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+NH4+CF3COOH"	132.026685
"1635575"	396.15058	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+Na+CF3COOH"	136.98208
"1582162"	412.12452	"C07627"	"Primaquine"	"C15H21N3O"	"259.1685"	"M+K+CF3COOH"	152.95602
"812529"	340.2402	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M"	0
"988249"	321.22181	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-H2O-H"	-19.01839
"77589"	225.819524	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M-3H"	-3.021828
"518043"	339.232924	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M-3H"	-3.021828
"892767"	112.406124	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-3H"	-3.021828
"12433"	339.232924	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M-2H"	-2.014552
"451993"	509.353024	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M-2H"	-2.014552
"829798"	169.112824	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-2H"	-2.014552
"90521"	679.473124	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M-H"	-1.007276
"531175"	1019.713324	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M-H"	-1.007276
"910313"	339.232924	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-H"	-1.007276
"59341"	696.499671	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M-2H+NH4"	16.019271
"490158"	1036.739871	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M-2H+NH4"	16.019271
"871240"	356.259471	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-2H+NH4"	16.019271
"32942"	701.455066	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M-2H+Na"	20.974666
"476513"	1041.695266	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M-2H+Na"	20.974666
"851157"	361.214866	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-2H+Na"	20.974666
"1624943"	361.214866	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Na-2H"	20.974666
"108031"	357.221263	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M-H+Cl"	33.962126
"545403"	527.341363	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M-H+Cl"	33.962126
"934543"	187.101163	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-H+Cl"	33.962126
"273099"	715.449802	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+Cl"	34.969402
"667706"	1055.690002	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+Cl"	34.969402
"1277923"	375.209602	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Cl"	34.969402
"16589"	717.429006	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M-2H+K"	36.948606
"456142"	1057.669206	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M-2H+K"	36.948606
"834195"	377.188806	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-2H+K"	36.948606
"1555977"	377.188806	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+K-2H"	36.948606
"944471"	385.238394	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-H+HCOOH"	44.998194
"361749"	725.478601	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+HCOOH-H"	44.998201
"346200"	739.494251	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+Hac-H"	59.013851
"1505257"	399.254051	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Hac-H"	59.013851
"972068"	407.220351	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-H+NaCOOH"	66.980151
"123162"	375.209602	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+2Cl"	69.938804
"563816"	545.329702	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+2Cl"	69.938804
"1030428"	205.089502	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2Cl"	69.938804
"1253288"	419.159085	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Br"	78.918885
"1314642"	421.215072	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Cl+HCOOH"	80.974872
"1326672"	443.197029	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Cl+NaCOOH"	102.956829
"912990"	453.225786	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M-H+CF3COOH"	112.985586
"1292249"	489.202464	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Cl+CF3COOH"	148.962264
"1367855"	305.227524	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H-2H2O"	-35.012676
"1383041"	323.2375	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H-H2O"	-17.0027
"283577"	681.487676	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+H"	1.007276
"680019"	1021.727876	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+H"	1.007276
"1352845"	341.247476	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H"	1.007276
"127801"	341.247476	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+2H"	2.014552
"566263"	511.367576	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+2H"	2.014552
"1038466"	171.127376	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2H"	2.014552
"208806"	227.834076	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+3H"	3.021828
"649460"	341.247476	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+3H"	3.021828
"1166491"	114.420676	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+3H"	3.021828
"425261"	698.514223	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+NH4"	18.033823
"786138"	1038.754423	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+NH4"	18.033823
"1682222"	358.274023	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+NH4"	18.033823
"330740"	349.7607495	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+H+NH4"	19.041099
"723163"	519.8808495	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+H+NH4"	19.041099
"1483801"	179.6406495	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H+NH4"	19.041099
"401383"	703.469618	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+Na"	22.989218
"767854"	1043.709818	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+Na"	22.989218
"1615596"	363.229418	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Na"	22.989218
"328181"	352.238447	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+H+Na"	23.996494
"720968"	522.358547	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+H+Na"	23.996494
"1476568"	182.118347	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H+Na"	23.996494
"1066578"	121.74799	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2H+Na"	25.00377
"1270444"	373.273686	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+CH3OH+H"	33.033486
"391569"	719.443558	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+K"	38.963158
"753291"	1059.683758	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+K"	38.963158
"1552062"	379.203358	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+K"	38.963158
"313817"	360.225417	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+H+K"	39.970434
"702752"	530.345517	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+H+K"	39.970434
"1455481"	190.105317	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H+K"	39.970434
"245179"	722.514226	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+ACN+H"	42.033826
"1220075"	382.274026	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+ACN+H"	42.033826
"1205051"	191.640651	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+ACN+2H"	43.041102
"191361"	725.45156	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+2Na-H"	44.97116
"635298"	1065.69176	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+2Na-H"	44.97116
"1132606"	385.21136	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2Na-H"	44.97116
"178814"	363.229418	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+2Na"	45.978436
"615215"	533.349518	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+2Na"	45.978436
"1120786"	193.109318	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2Na"	45.978436
"1399447"	129.075304	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H+2Na"	46.985712
"1431927"	387.252946	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H+HCOOH"	47.012746
"221866"	368.26244	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+3H2O+2H"	56.04448
"1510899"	401.30499	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+IsoProp+H"	61.06479
"409981"	371.216388	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+Na+K"	61.952376
"773410"	541.336488	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+Na+K"	61.952376
"1669741"	201.096288	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Na+K"	61.952376
"259911"	744.496168	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+ACN+Na"	64.015768
"1231527"	404.255968	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+ACN+Na"	64.015768
"1720413"	404.279493	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+NH4+HCOOH"	64.039293
"1193189"	136.402618	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+3Na"	68.967654
"1663319"	409.234888	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Na+HCOOH"	68.994688
"167993"	757.39944	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+2K-H"	76.91904
"609741"	1097.63964	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+2K-H"	76.91904
"1098626"	417.15924	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2K-H"	76.91904
"155442"	379.203358	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"2M+2K"	77.926316
"594882"	549.323458	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"3M+2K"	77.926316
"1083529"	209.083258	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2K"	77.926316
"1112730"	419.173792	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2K+H"	78.933592
"1342553"	419.261407	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+DMSO+H"	79.021207
"1016549"	423.300576	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2ACN+H"	83.060376
"1539053"	424.294208	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+IsoProp+Na+H"	84.054008
"997841"	212.153926	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+2ACN+2H"	84.067652
"1596716"	425.208828	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+K+HCOOH"	84.968628
"1415331"	455.240338	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+H+CF3COOH"	115.000138
"1151574"	232.667201	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+3ACN+2H"	125.094202
"1703315"	472.266885	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+NH4+CF3COOH"	132.026685
"1635685"	477.22228	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+Na+CF3COOH"	136.98208
"1582272"	493.19622	"C07628"	"Dimethisterone;Dimethisterone anhydrous"	"C23H32O2"	"340.2402"	"M+K+CF3COOH"	152.95602
"812639"	310.2297	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M"	0
"988359"	291.21131	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-H2O-H"	-19.01839
"77578"	205.812524	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M-3H"	-3.021828
"517876"	309.222424	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M-3H"	-3.021828
"895504"	102.402624	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-3H"	-3.021828
"15342"	309.222424	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M-2H"	-2.014552
"451010"	464.337274	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M-2H"	-2.014552
"831731"	154.107574	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-2H"	-2.014552
"90269"	619.452124	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M-H"	-1.007276
"531286"	929.681824	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M-H"	-1.007276
"909086"	309.222424	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-H"	-1.007276
"59451"	636.478671	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M-2H+NH4"	16.019271
"499016"	946.708371	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M-2H+NH4"	16.019271
"872443"	326.248971	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-2H+NH4"	16.019271
"37063"	641.434066	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M-2H+Na"	20.974666
"476624"	951.663766	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M-2H+Na"	20.974666
"852239"	331.204366	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-2H+Na"	20.974666
"1626146"	331.204366	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Na-2H"	20.974666
"104860"	327.210763	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M-H+Cl"	33.962126
"545513"	482.325613	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M-H+Cl"	33.962126
"935746"	172.095913	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-H+Cl"	33.962126
"276489"	655.428802	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+Cl"	34.969402
"667816"	965.658502	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+Cl"	34.969402
"1280220"	345.199102	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Cl"	34.969402
"16943"	657.408006	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M-2H+K"	36.948606
"456503"	967.637706	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M-2H+K"	36.948606
"835398"	347.178306	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-2H+K"	36.948606
"1555677"	347.178306	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+K-2H"	36.948606
"946769"	355.227894	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-H+HCOOH"	44.998194
"361703"	665.457601	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+HCOOH-H"	44.998201
"346191"	679.473251	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+Hac-H"	59.013851
"1502450"	369.243551	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Hac-H"	59.013851
"971085"	377.209851	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-H+NaCOOH"	66.980151
"123272"	345.199102	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+2Cl"	69.938804
"563562"	500.313952	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+2Cl"	69.938804
"1032725"	190.084252	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2Cl"	69.938804
"1251210"	389.148585	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Br"	78.918885
"1315846"	391.204572	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Cl+HCOOH"	80.974872
"1326782"	413.186529	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Cl+NaCOOH"	102.956829
"912007"	423.215286	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M-H+CF3COOH"	112.985586
"1292359"	459.191964	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Cl+CF3COOH"	148.962264
"1367642"	275.217024	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H-2H2O"	-35.012676
"1383880"	293.227	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H-H2O"	-17.0027
"283443"	621.466676	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+H"	1.007276
"675755"	931.696376	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+H"	1.007276
"1352464"	311.236976	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H"	1.007276
"126813"	311.236976	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+2H"	2.014552
"567096"	466.351826	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+2H"	2.014552
"1037605"	156.122126	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2H"	2.014552
"205997"	207.827076	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+3H"	3.021828
"649568"	311.236976	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+3H"	3.021828
"1168789"	104.417176	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+3H"	3.021828
"424768"	638.493223	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+NH4"	18.033823
"790868"	948.722923	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+NH4"	18.033823
"1683189"	328.263523	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+NH4"	18.033823
"331101"	319.7502495	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+H+NH4"	19.041099
"722908"	474.8650995	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+H+NH4"	19.041099
"1485001"	164.6353995	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H+NH4"	19.041099
"398215"	643.448618	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+Na"	22.989218
"762493"	953.678318	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+Na"	22.989218
"1618059"	333.218918	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Na"	22.989218
"329717"	322.227947	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+H+Na"	23.996494
"721807"	477.342797	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+H+Na"	23.996494
"1475263"	167.113097	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H+Na"	23.996494
"1067781"	111.74449	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2H+Na"	25.00377
"1270554"	343.263186	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+CH3OH+H"	33.033486
"392408"	659.422558	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+K"	38.963158
"753889"	969.652258	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+K"	38.963158
"1551079"	349.192858	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+K"	38.963158
"311535"	330.214917	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+H+K"	39.970434
"701769"	485.329767	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+H+K"	39.970434
"1456684"	175.100067	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H+K"	39.970434
"248568"	662.493226	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+ACN+H"	42.033826
"1222371"	352.263526	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+ACN+H"	42.033826
"1206255"	176.635401	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+ACN+2H"	43.041102
"192567"	665.43056	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+2Na-H"	44.97116
"634315"	975.66026	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+2Na-H"	44.97116
"1136728"	355.20086	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2Na-H"	44.97116
"177831"	333.218918	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+2Na"	45.978436
"613744"	488.333768	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+2Na"	45.978436
"1118709"	178.104068	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2Na"	45.978436
"1399557"	119.071804	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H+2Na"	46.985712
"1430820"	357.242446	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H+HCOOH"	47.012746
"220516"	338.25194	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+3H2O+2H"	56.04448
"1509185"	371.29449	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+IsoProp+H"	61.06479
"409242"	341.205888	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+Na+K"	61.952376
"774978"	496.320738	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+Na+K"	61.952376
"1669123"	186.091038	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Na+K"	61.952376
"261114"	684.475168	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+ACN+Na"	64.015768
"1231637"	374.245468	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+ACN+Na"	64.015768
"1724898"	374.268993	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+NH4+HCOOH"	64.039293
"1193538"	126.399118	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+3Na"	68.967654
"1663429"	379.224388	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Na+HCOOH"	68.994688
"170289"	697.37844	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+2K-H"	76.91904
"609851"	1007.60814	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+2K-H"	76.91904
"1096549"	387.14874	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2K-H"	76.91904
"155552"	349.192858	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"2M+2K"	77.926316
"592926"	504.307708	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"3M+2K"	77.926316
"1083887"	194.078008	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2K"	77.926316
"1112836"	389.163292	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2K+H"	78.933592
"1344850"	389.250907	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+DMSO+H"	79.021207
"1012284"	393.290076	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2ACN+H"	83.060376
"1535876"	394.283708	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+IsoProp+Na+H"	84.054008
"995763"	197.148676	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+2ACN+2H"	84.067652
"1596827"	395.198328	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+K+HCOOH"	84.968628
"1416292"	425.229838	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+H+CF3COOH"	115.000138
"1150591"	217.661951	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+3ACN+2H"	125.094202
"1703425"	442.256385	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+NH4+CF3COOH"	132.026685
"1635795"	447.21178	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+Na+CF3COOH"	136.98208
"1582382"	463.18572	"C07629"	"Desogestrel"	"C22H30O"	"310.2297"	"M+K+CF3COOH"	152.95602
"812749"	310.0736	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M"	0
"979721"	291.05521	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-H2O-H"	-19.01839
"72342"	205.708457333333	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M-3H"	-3.021828
"517372"	309.066324	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M-3H"	-3.021828
"890799"	102.350590666667	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-3H"	-3.021828
"8280"	309.066324	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M-2H"	-2.014552
"451120"	464.103124	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M-2H"	-2.014552
"830746"	154.029524	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-2H"	-2.014552
"91832"	619.139924	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M-H"	-1.007276
"530664"	929.213524	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M-H"	-1.007276
"906281"	309.066324	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-H"	-1.007276
"59561"	636.166471	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M-2H+NH4"	16.019271
"492564"	946.240071	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M-2H+NH4"	16.019271
"865992"	326.092871	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-2H+NH4"	16.019271
"33893"	641.121866	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M-2H+Na"	20.974666
"478919"	951.195466	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M-2H+Na"	20.974666
"852348"	331.048266	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-2H+Na"	20.974666
"1626254"	331.048266	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Na-2H"	20.974666
"101687"	327.054663	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M-H+Cl"	33.962126
"539059"	482.091463	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M-H+Cl"	33.962126
"930385"	172.017863	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-H+Cl"	33.962126
"267845"	655.116602	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+Cl"	34.969402
"660306"	965.190202	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+Cl"	34.969402
"1273439"	345.043002	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Cl"	34.969402
"19603"	657.095806	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M-2H+K"	36.948606
"457218"	967.169406	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M-2H+K"	36.948606
"832906"	347.022206	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-2H+K"	36.948606
"1555674"	347.022206	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+K-2H"	36.948606
"942800"	355.071794	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-H+HCOOH"	44.998194
"362175"	665.145401	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+HCOOH-H"	44.998201
"345793"	679.161051	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+Hac-H"	59.013851
"1493072"	369.087451	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Hac-H"	59.013851
"963534"	377.053751	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-H+NaCOOH"	66.980151
"115358"	345.043002	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+2Cl"	69.938804
"556378"	500.079802	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+2Cl"	69.938804
"1030646"	190.006202	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2Cl"	69.938804
"1247308"	388.992485	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Br"	78.918885
"1314862"	391.048472	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Cl+HCOOH"	80.974872
"1329078"	413.030429	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Cl+NaCOOH"	102.956829
"914667"	423.059186	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M-H+CF3COOH"	112.985586
"1289309"	459.035864	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Cl+CF3COOH"	148.962264
"1367254"	275.060924	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H-2H2O"	-35.012676
"1383746"	293.0709	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H-H2O"	-17.0027
"283432"	621.154476	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+H"	1.007276
"675803"	931.228076	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+H"	1.007276
"1352208"	311.080876	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H"	1.007276
"126557"	311.080876	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+2H"	2.014552
"565943"	466.117676	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+2H"	2.014552
"1037350"	156.044076	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2H"	2.014552
"204762"	207.723009333333	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+3H"	3.021828
"649678"	311.080876	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+3H"	3.021828
"1169992"	104.365142666667	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+3H"	3.021828
"424635"	638.181023	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+NH4"	18.033823
"788791"	948.254623	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+NH4"	18.033823
"1683299"	328.107423	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+NH4"	18.033823
"331089"	319.5941495	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+H+NH4"	19.041099
"723055"	474.6309495	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+H+NH4"	19.041099
"1485110"	164.5573495	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H+NH4"	19.041099
"400511"	643.136418	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+Na"	22.989218
"763695"	953.210018	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+Na"	22.989218
"1617639"	333.062818	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Na"	22.989218
"327308"	322.071847	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+H+Na"	23.996494
"722284"	477.108647	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+H+Na"	23.996494
"1473549"	167.035047	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H+Na"	23.996494
"1066556"	111.692456666667	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2H+Na"	25.00377
"1270664"	343.107086	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+CH3OH+H"	33.033486
"392031"	659.110358	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+K"	38.963158
"751324"	969.183958	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+K"	38.963158
"1550096"	349.036758	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+K"	38.963158
"308364"	330.058817	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+H+K"	39.970434
"700785"	485.095617	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+H+K"	39.970434
"1456794"	175.022017	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H+K"	39.970434
"246490"	662.181026	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+ACN+H"	42.033826
"1222480"	352.107426	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+ACN+H"	42.033826
"1206365"	176.557351	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+ACN+2H"	43.041102
"191584"	665.11836	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+2Na-H"	44.97116
"632603"	975.19196	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+2Na-H"	44.97116
"1135744"	355.04476	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2Na-H"	44.97116
"177941"	333.062818	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+2Na"	45.978436
"612950"	488.099618	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+2Na"	45.978436
"1115745"	178.026018	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2Na"	45.978436
"1398696"	119.019770666667	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H+2Na"	46.985712
"1430566"	357.086346	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H+HCOOH"	47.012746
"220262"	338.09584	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+3H2O+2H"	56.04448
"1510025"	371.13839	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+IsoProp+H"	61.06479
"408740"	341.049788	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+Na+K"	61.952376
"772536"	496.086588	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+Na+K"	61.952376
"1668868"	186.012988	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Na+K"	61.952376
"260131"	684.162968	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+ACN+Na"	64.015768
"1231747"	374.089368	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+ACN+Na"	64.015768
"1723915"	374.112893	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+NH4+HCOOH"	64.039293
"1190366"	126.347084666667	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+3Na"	68.967654
"1662444"	379.068288	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Na+HCOOH"	68.994688
"170399"	697.06624	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+2K-H"	76.91904
"611053"	1007.13984	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+2K-H"	76.91904
"1095566"	386.99264	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2K-H"	76.91904
"152382"	349.036758	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"2M+2K"	77.926316
"593036"	504.073558	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"3M+2K"	77.926316
"1082897"	193.999958	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2K"	77.926316
"1114770"	389.007192	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2K+H"	78.933592
"1343867"	389.094807	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+DMSO+H"	79.021207
"1013488"	393.133976	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2ACN+H"	83.060376
"1533799"	394.127608	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+IsoProp+Na+H"	84.054008
"1001341"	197.070626	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+2ACN+2H"	84.067652
"1595842"	395.042228	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+K+HCOOH"	84.968628
"1415186"	425.073738	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+H+CF3COOH"	115.000138
"1149607"	217.583901	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+3ACN+2H"	125.094202
"1703535"	442.100285	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+NH4+CF3COOH"	132.026685
"1635905"	447.05568	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+Na+CF3COOH"	136.98208
"1582492"	463.02962	"C07630"	"Sulfadoxine"	"C12H14N4O4S"	"310.0736"	"M+K+CF3COOH"	152.95602
"812859"	253.1094	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M"	0
"979831"	234.09101	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-H2O-H"	-19.01839
"72452"	167.732324	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M-3H"	-3.021828
"515295"	252.102124	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M-3H"	-3.021828
"890908"	83.362524	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-3H"	-3.021828
"7297"	252.102124	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M-2H"	-2.014552
"452324"	378.656824	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M-2H"	-2.014552
"830128"	125.547424	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-2H"	-2.014552
"86840"	505.211524	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M-H"	-1.007276
"530410"	758.320924	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M-H"	-1.007276
"906392"	252.102124	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-H"	-1.007276
"58214"	522.238071	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M-2H+NH4"	16.019271
"491581"	775.347471	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M-2H+NH4"	16.019271
"865371"	269.128671	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-2H+NH4"	16.019271
"33030"	527.193466	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M-2H+Na"	20.974666
"479029"	780.302866	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M-2H+Na"	20.974666
"852458"	274.084066	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-2H+Na"	20.974666
"1620168"	274.084066	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Na-2H"	20.974666
"99611"	270.090463	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M-H+Cl"	33.962126
"539169"	396.645163	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M-H+Cl"	33.962126
"929400"	143.535763	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-H+Cl"	33.962126
"267307"	541.188202	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+Cl"	34.969402
"660035"	794.297602	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+Cl"	34.969402
"1273181"	288.078802	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Cl"	34.969402
"18620"	543.167406	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M-2H+K"	36.948606
"456151"	796.276806	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M-2H+K"	36.948606
"833794"	290.058006	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-2H+K"	36.948606
"1556062"	290.058006	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+K-2H"	36.948606
"943134"	298.107594	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-H+HCOOH"	44.998194
"362282"	551.217001	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+HCOOH-H"	44.998201
"345958"	565.232651	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+Hac-H"	59.013851
"1493549"	312.123251	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Hac-H"	59.013851
"962186"	320.089551	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-H+NaCOOH"	66.980151
"112552"	288.078802	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+2Cl"	69.938804
"554665"	414.633502	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+2Cl"	69.938804
"1028934"	161.524102	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2Cl"	69.938804
"1250698"	332.028285	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Br"	78.918885
"1311690"	334.084272	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Cl+HCOOH"	80.974872
"1331372"	356.066229	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Cl+NaCOOH"	102.956829
"916600"	366.094986	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M-H+CF3COOH"	112.985586
"1292214"	402.071664	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Cl+CF3COOH"	148.962264
"1367452"	218.096724	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H-2H2O"	-35.012676
"1383127"	236.1067	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H-H2O"	-17.0027
"283010"	507.226076	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+H"	1.007276
"678517"	760.335476	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+H"	1.007276
"1352439"	254.116676	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H"	1.007276
"127394"	254.116676	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+2H"	2.014552
"566948"	380.671376	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+2H"	2.014552
"1037946"	127.561976	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2H"	2.014552
"212417"	169.746876	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+3H"	3.021828
"653072"	254.116676	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+3H"	3.021828
"1172287"	85.377076	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+3H"	3.021828
"425351"	524.252623	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+NH4"	18.033823
"787077"	777.362023	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+NH4"	18.033823
"1687419"	271.143223	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+NH4"	18.033823
"331686"	262.6299495	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+H+NH4"	19.041099
"723739"	389.1846495	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+H+NH4"	19.041099
"1485224"	136.0752495	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H+NH4"	19.041099
"401719"	529.208018	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+Na"	22.989218
"762712"	782.317418	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+Na"	22.989218
"1616899"	276.098618	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Na"	22.989218
"321950"	265.107647	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+H+Na"	23.996494
"718747"	391.662347	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+H+Na"	23.996494
"1471473"	138.552947	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H+Na"	23.996494
"1065451"	92.70439	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2H+Na"	25.00377
"1268586"	286.142886	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+CH3OH+H"	33.033486
"387158"	545.181958	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+K"	38.963158
"749248"	798.291358	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+K"	38.963158
"1548020"	292.072558	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+K"	38.963158
"309569"	273.094617	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+H+K"	39.970434
"697617"	399.649317	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+H+K"	39.970434
"1451437"	146.539917	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H+K"	39.970434
"247695"	548.252626	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+ACN+H"	42.033826
"1221497"	295.143226	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+ACN+H"	42.033826
"1204287"	148.075251	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+ACN+2H"	43.041102
"193881"	551.18996	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+2Na-H"	44.97116
"630891"	804.29936	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+2Na-H"	44.97116
"1135855"	298.08056	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2Na-H"	44.97116
"176229"	276.098618	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+2Na"	45.978436
"613225"	402.653318	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+2Na"	45.978436
"1118930"	149.543918	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2Na"	45.978436
"1400993"	100.031704	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H+2Na"	46.985712
"1430553"	300.122146	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H+HCOOH"	47.012746
"228635"	281.13164	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+3H2O+2H"	56.04448
"1510498"	314.17419	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+IsoProp+H"	61.06479
"410194"	284.085588	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+Na+K"	61.952376
"772283"	410.640288	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+Na+K"	61.952376
"1669707"	157.530888	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Na+K"	61.952376
"260241"	570.234568	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+ACN+Na"	64.015768
"1232950"	317.125168	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+ACN+Na"	64.015768
"1724024"	317.148693	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+NH4+HCOOH"	64.039293
"1188289"	107.359018	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+3Na"	68.967654
"1661461"	322.104088	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Na+HCOOH"	68.994688
"167229"	583.13784	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+2K-H"	76.91904
"612261"	836.24724	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+2K-H"	76.91904
"1096771"	330.02844	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2K-H"	76.91904
"155409"	292.072558	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"2M+2K"	77.926316
"595336"	418.627258	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"3M+2K"	77.926316
"1082035"	165.517858	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2K"	77.926316
"1111965"	332.042992	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2K+H"	78.933592
"1339602"	332.130607	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+DMSO+H"	79.021207
"1013598"	336.169776	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2ACN+H"	83.060376
"1537191"	337.163408	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+IsoProp+Na+H"	84.054008
"998170"	168.588526	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+2ACN+2H"	84.067652
"1590487"	338.078028	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+K+HCOOH"	84.968628
"1417241"	368.109538	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+H+CF3COOH"	115.000138
"1148258"	189.101801	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+3ACN+2H"	125.094202
"1703645"	385.136085	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+NH4+CF3COOH"	132.026685
"1637108"	390.09148	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+Na+CF3COOH"	136.98208
"1582602"	406.06542	"C07631"	"Proguanil;Chloroguanide;N-(4-Chlorophenyl)-N-(isopropyl)-imidodicarbonimidic diamide"	"C11H16ClN5"	"253.1094"	"M+K+CF3COOH"	152.95602
"812969"	292.2402	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M"	0
"979941"	273.22181	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"75842"	193.819524	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"515405"	291.232924	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"891018"	96.406124	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"9593"	291.232924	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"453527"	437.353024	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"830602"	145.112824	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"86950"	583.473124	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"529795"	875.713324	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"905407"	291.232924	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"58326"	600.499671	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"488532"	892.739871	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"866211"	308.259471	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"33140"	605.455066	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"471970"	897.695266	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"849651"	313.214866	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1623193"	313.214866	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"99720"	309.221263	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"538186"	455.341363	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"929514"	163.101163	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"268433"	619.449802	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"661584"	911.690002	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1276175"	327.209602	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"25293"	621.429006	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"459384"	913.669206	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"834998"	329.188806	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1556053"	329.188806	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"942828"	337.238394	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"361664"	629.478601	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"345860"	643.494251	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1497671"	351.254051	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"968130"	359.220351	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"116674"	327.209602	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"557693"	473.329702	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1030503"	181.089502	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1250444"	371.159085	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1306330"	373.215072	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1325288"	395.197029	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"918167"	405.225786	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1291960"	441.202464	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1367078"	257.227524	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1384697"	275.2375	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"284140"	585.487676	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"675952"	877.727876	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1351322"	293.247476	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"127139"	293.247476	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"566697"	439.367576	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1038771"	147.127376	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"204609"	195.834076	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"653178"	293.247476	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1166930"	98.420676	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"425829"	602.514223	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"787179"	894.754423	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1684248"	310.274023	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"331432"	301.7607495	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"723607"	447.8808495	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1489705"	155.6406495	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"400735"	607.469618	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"766101"	899.709818	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1615292"	315.229418	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"325342"	304.238447	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"720802"	450.358547	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1474863"	158.118347	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1064831"	105.74799	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1270884"	325.273686	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"390549"	623.443558	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"753694"	915.683758	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1549223"	331.203358	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"310772"	312.225417	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"703193"	458.345517	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1452640"	166.105317	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"248898"	626.514226	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1221607"	334.274026	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1207677"	167.640651	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"197271"	629.45156	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"632094"	921.69176	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1134873"	337.21136	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"175610"	315.229418	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"614077"	461.349518	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1119404"	169.109318	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1400496"	113.075304	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1432491"	339.252946	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"231661"	320.26244	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1508947"	353.30499	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"411397"	323.216388	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"770442"	469.336488	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1666289"	177.096288	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"260351"	648.496168	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1234153"	356.255968	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1724134"	356.279493	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1193500"	120.402618	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1662663"	361.234888	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"170618"	661.39944	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"611766"	953.63964	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1097612"	369.15924	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"156376"	331.203358	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"594356"	477.323458	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1081780"	185.083258	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1111349"	371.173792	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1340805"	371.261407	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1015896"	375.300576	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1532927"	376.294208	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"993910"	188.153926	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1588655"	377.208828	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1419539"	407.240338	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1147275"	208.667201	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1698285"	424.266885	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1635396"	429.22228	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1573232"	445.19622	"C07632"	"Androstanediol;Androstane-317-diol"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"813079"	378.1167	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M"	0
"981144"	359.09831	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-H2O-H"	-19.01839
"75952"	251.070524	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M-3H"	-3.021828
"517699"	377.109424	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M-3H"	-3.021828
"894408"	125.031624	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-3H"	-3.021828
"12983"	377.109424	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M-2H"	-2.014552
"455628"	566.167774	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M-2H"	-2.014552
"831441"	188.051074	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-2H"	-2.014552
"90336"	755.226124	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M-H"	-1.007276
"530269"	1133.342824	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M-H"	-1.007276
"909404"	377.109424	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-H"	-1.007276
"58800"	772.252671	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M-2H+NH4"	16.019271
"495082"	1150.369371	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M-2H+NH4"	16.019271
"868508"	394.135971	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-2H+NH4"	16.019271
"32882"	777.208066	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M-2H+Na"	20.974666
"474876"	1155.324766	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M-2H+Na"	20.974666
"853770"	399.091366	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-2H+Na"	20.974666
"1624396"	399.091366	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Na-2H"	20.974666
"96549"	395.097763	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M-H+Cl"	33.962126
"537201"	584.156113	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M-H+Cl"	33.962126
"927553"	206.039413	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-H+Cl"	33.962126
"268178"	791.202802	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+Cl"	34.969402
"660963"	1169.319502	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+Cl"	34.969402
"1275192"	413.086102	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Cl"	34.969402
"19934"	793.182006	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M-2H+K"	36.948606
"458400"	1171.298706	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M-2H+K"	36.948606
"835472"	415.065306	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-2H+K"	36.948606
"1556891"	415.065306	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+K-2H"	36.948606
"943195"	423.114894	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-H+HCOOH"	44.998194
"361768"	801.231601	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+HCOOH-H"	44.998201
"345901"	815.247251	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+Hac-H"	59.013851
"1497781"	437.130551	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Hac-H"	59.013851
"967146"	445.096851	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-H+NaCOOH"	66.980151
"118242"	413.086102	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+2Cl"	69.938804
"555615"	602.144452	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+2Cl"	69.938804
"1027329"	224.027752	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2Cl"	69.938804
"1246179"	457.035585	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Br"	78.918885
"1306438"	459.091572	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Cl+HCOOH"	80.974872
"1326127"	481.073529	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Cl+NaCOOH"	102.956829
"918277"	491.102286	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M-H+CF3COOH"	112.985586
"1292799"	527.078964	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Cl+CF3COOH"	148.962264
"1367266"	343.104024	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H-2H2O"	-35.012676
"1385171"	361.114	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H-H2O"	-17.0027
"283520"	757.240676	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+H"	1.007276
"678739"	1135.357376	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+H"	1.007276
"1351480"	379.123976	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H"	1.007276
"126888"	379.123976	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+2H"	2.014552
"566445"	568.182326	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+2H"	2.014552
"1038516"	190.065626	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2H"	2.014552
"205690"	253.085076	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+3H"	3.021828
"645500"	379.123976	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+3H"	3.021828
"1162987"	127.046176	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+3H"	3.021828
"427032"	774.267223	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+NH4"	18.033823
"786560"	1152.383923	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+NH4"	18.033823
"1684358"	396.150523	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+NH4"	18.033823
"330449"	387.6372495	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+H+NH4"	19.041099
"722842"	576.6955995	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+H+NH4"	19.041099
"1489815"	198.5788995	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H+NH4"	19.041099
"404124"	779.222618	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+Na"	22.989218
"766211"	1157.339318	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+Na"	22.989218
"1616131"	401.105918	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Na"	22.989218
"326545"	390.114947	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+H+Na"	23.996494
"718967"	579.173297	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+H+Na"	23.996494
"1473879"	201.056597	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H+Na"	23.996494
"1064941"	134.37349	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2H+Na"	25.00377
"1269902"	411.150186	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+CH3OH+H"	33.033486
"389566"	795.196558	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+K"	38.963158
"753478"	1173.313258	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+K"	38.963158
"1552611"	417.079858	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+K"	38.963158
"311975"	398.101917	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+H+K"	39.970434
"701116"	587.160267	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+H+K"	39.970434
"1452750"	209.043567	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H+K"	39.970434
"243539"	798.267226	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+ACN+H"	42.033826
"1220622"	420.150526	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+ACN+H"	42.033826
"1208517"	210.578901	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+ACN+2H"	43.041102
"197381"	801.20456	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+2Na-H"	44.97116
"630746"	1179.32126	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+2Na-H"	44.97116
"1133158"	423.08786	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2Na-H"	44.97116
"175720"	401.105918	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+2Na"	45.978436
"613577"	590.164268	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+2Na"	45.978436
"1118056"	212.047568	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2Na"	45.978436
"1403766"	141.700804	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H+2Na"	46.985712
"1431384"	425.129446	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H+HCOOH"	47.012746
"228855"	406.13894	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+3H2O+2H"	56.04448
"1508543"	439.18149	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+IsoProp+H"	61.06479
"410778"	409.092888	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+Na+K"	61.952376
"770191"	598.151238	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+Na+K"	61.952376
"1666032"	220.034538	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Na+K"	61.952376
"260461"	820.249168	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+ACN+Na"	64.015768
"1235356"	442.132468	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+ACN+Na"	64.015768
"1724244"	442.155993	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+NH4+HCOOH"	64.039293
"1193489"	149.028118	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+3Na"	68.967654
"1663866"	447.111388	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Na+HCOOH"	68.994688
"172309"	833.15244	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+2K-H"	76.91904
"611629"	1211.26914	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+2K-H"	76.91904
"1098693"	455.03574	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2K-H"	76.91904
"155749"	417.079858	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"2M+2K"	77.926316
"596528"	606.138208	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"3M+2K"	77.926316
"1082255"	228.021508	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2K"	77.926316
"1114248"	457.050292	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2K+H"	78.933592
"1340915"	457.137907	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+DMSO+H"	79.021207
"1012725"	461.177076	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2ACN+H"	83.060376
"1531944"	462.170708	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+IsoProp+Na+H"	84.054008
"995113"	231.092176	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+2ACN+2H"	84.067652
"1588156"	463.085328	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+K+HCOOH"	84.968628
"1417461"	493.116838	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+H+CF3COOH"	115.000138
"1149938"	251.605451	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+3ACN+2H"	125.094202
"1698395"	510.143385	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+NH4+CF3COOH"	132.026685
"1637328"	515.09878	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+Na+CF3COOH"	136.98208
"1573342"	531.07272	"C07633"	"Mefloquine"	"C17H16F6N2O"	"378.1167"	"M+K+CF3COOH"	152.95602
"813189"	499.1657	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M"	0
"980161"	480.14731	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-H2O-H"	-19.01839
"77155"	331.769857333333	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M-3H"	-3.021828
"516716"	498.158424	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M-3H"	-3.021828
"892332"	165.381290666667	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-3H"	-3.021828
"11999"	498.158424	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M-2H"	-2.014552
"453382"	747.741274	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M-2H"	-2.014552
"829728"	248.575574	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-2H"	-2.014552
"89353"	997.324124	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M-H"	-1.007276
"529650"	1496.489824	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M-H"	-1.007276
"908542"	498.158424	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-H"	-1.007276
"60003"	1014.350671	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M-2H+NH4"	16.019271
"496286"	1513.516371	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M-2H+NH4"	16.019271
"867525"	515.184971	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-2H+NH4"	16.019271
"32993"	1019.306066	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M-2H+Na"	20.974666
"478266"	1518.471766	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M-2H+Na"	20.974666
"851693"	520.140366	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-2H+Na"	20.974666
"1626693"	520.140366	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Na-2H"	20.974666
"96660"	516.146763	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M-H+Cl"	33.962126
"537311"	765.729613	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M-H+Cl"	33.962126
"927260"	266.563913	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-H+Cl"	33.962126
"267595"	1033.300802	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+Cl"	34.969402
"660464"	1532.466502	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+Cl"	34.969402
"1275302"	534.135102	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Cl"	34.969402
"18951"	1035.280006	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M-2H+K"	36.948606
"458510"	1534.445706	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M-2H+K"	36.948606
"835581"	536.114306	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-2H+K"	36.948606
"1556555"	536.114306	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+K-2H"	36.948606
"943670"	544.163894	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-H+HCOOH"	44.998194
"361716"	1043.329601	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+HCOOH-H"	44.998201
"346213"	1057.345251	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+Hac-H"	59.013851
"1497891"	558.179551	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Hac-H"	59.013851
"968349"	566.145851	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-H+NaCOOH"	66.980151
"118352"	534.135102	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+2Cl"	69.938804
"556455"	783.717952	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+2Cl"	69.938804
"1027804"	284.552252	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2Cl"	69.938804
"1246289"	578.084585	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Br"	78.918885
"1306184"	580.140572	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Cl+HCOOH"	80.974872
"1326237"	602.122529	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Cl+NaCOOH"	102.956829
"916200"	612.151286	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M-H+CF3COOH"	112.985586
"1294002"	648.127964	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Cl+CF3COOH"	148.962264
"1368516"	464.153024	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H-2H2O"	-35.012676
"1386011"	482.163	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H-H2O"	-17.0027
"283059"	999.338676	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+H"	1.007276
"677390"	1498.504376	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+H"	1.007276
"1351513"	500.172976	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H"	1.007276
"129915"	500.172976	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+2H"	2.014552
"566918"	749.755826	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+2H"	2.014552
"1038506"	250.590126	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2H"	2.014552
"206041"	333.784409333333	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+3H"	3.021828
"645609"	500.172976	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+3H"	3.021828
"1163380"	167.395842666667	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+3H"	3.021828
"427142"	1016.365223	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+NH4"	18.033823
"786140"	1515.530923	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+NH4"	18.033823
"1682281"	517.199523	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+NH4"	18.033823
"330231"	508.6862495	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+H+NH4"	19.041099
"722813"	758.2690995	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+H+NH4"	19.041099
"1488468"	259.1033995	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H+NH4"	19.041099
"404234"	1021.320618	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+Na"	22.989218
"768022"	1520.486318	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+Na"	22.989218
"1615148"	522.154918	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Na"	22.989218
"327748"	511.163947	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+H+Na"	23.996494
"719077"	760.746797	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+H+Na"	23.996494
"1472896"	261.581097	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H+Na"	23.996494
"1065050"	174.723156666667	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2H+Na"	25.00377
"1270374"	532.199186	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+CH3OH+H"	33.033486
"389676"	1037.294558	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+K"	38.963158
"751766"	1536.460258	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+K"	38.963158
"1550535"	538.128858	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+K"	38.963158
"310628"	519.150917	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+H+K"	39.970434
"702318"	768.733767	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+H+K"	39.970434
"1451767"	269.568067	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H+K"	39.970434
"243649"	1040.365226	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+ACN+H"	42.033826
"1221825"	541.199526	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+ACN+H"	42.033826
"1208627"	271.103401	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+ACN+2H"	43.041102
"195305"	1043.30256	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+2Na-H"	44.97116
"628666"	1542.46826	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+2Na-H"	44.97116
"1133509"	544.13686	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2Na-H"	44.97116
"175222"	522.154918	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+2Na"	45.978436
"612963"	771.737768	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+2Na"	45.978436
"1116828"	272.572068	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2Na"	45.978436
"1400960"	182.050470666667	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H+2Na"	46.985712
"1435991"	546.178446	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H+HCOOH"	47.012746
"228965"	527.18794	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+3H2O+2H"	56.04448
"1515933"	560.23049	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+IsoProp+H"	61.06479
"408745"	530.141888	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+Na+K"	61.952376
"770423"	779.724738	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+Na+K"	61.952376
"1665936"	280.559038	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Na+K"	61.952376
"260571"	1062.347168	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+ACN+Na"	64.015768
"1233279"	563.181468	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+ACN+Na"	64.015768
"1718885"	563.204993	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+NH4+HCOOH"	64.039293
"1191898"	189.377784666667	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+3Na"	68.967654
"1663976"	568.160388	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Na+HCOOH"	68.994688
"171931"	1075.25044	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+2K-H"	76.91904
"611496"	1574.41614	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+2K-H"	76.91904
"1097101"	576.08474	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2K-H"	76.91904
"153915"	538.128858	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"2M+2K"	77.926316
"595421"	787.711708	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"3M+2K"	77.926316
"1082364"	288.546008	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2K"	77.926316
"1112292"	578.099292	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2K+H"	78.933592
"1343212"	578.186907	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+DMSO+H"	79.021207
"1012835"	582.226076	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2ACN+H"	83.060376
"1532054"	583.219708	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+IsoProp+Na+H"	84.054008
"995223"	291.616676	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+2ACN+2H"	84.067652
"1589725"	584.134328	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+K+HCOOH"	84.968628
"1416478"	614.165838	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+H+CF3COOH"	115.000138
"1153328"	312.129951	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+3ACN+2H"	125.094202
"1698869"	631.192385	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+NH4+CF3COOH"	132.026685
"1641812"	636.14778	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+Na+CF3COOH"	136.98208
"1574182"	652.12172	"C07634"	"Halofantrine"	"C26H30Cl2F3NO"	"499.1657"	"M+K+CF3COOH"	152.95602
"814760"	290.2246	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M"	0
"986835"	271.20621	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"76903"	192.475790666667	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"514641"	289.217324	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"891348"	95.7342573333333	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"15272"	289.217324	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"453494"	434.329624	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"829838"	144.105024	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"88370"	579.441924	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"529031"	869.666524	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"909017"	289.217324	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"60478"	596.468471	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"498583"	886.693071	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"872011"	306.243871	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"37723"	601.423866	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"472058"	891.648466	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"850712"	311.199266	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1618864"	311.199266	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"95679"	307.205663	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"534706"	452.317963	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"927451"	162.093363	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"267380"	615.418602	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"665196"	905.643202	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1276507"	325.194002	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"19061"	617.397806	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"458620"	907.622406	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"835327"	327.173206	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1556019"	327.173206	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"943046"	335.222794	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"361745"	625.447401	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"345875"	639.463051	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1496908"	349.238451	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"966273"	357.204751	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"116276"	325.194002	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"557294"	470.306302	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1026092"	180.081702	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1245671"	369.143485	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1305929"	371.199472	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1324888"	393.181429	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"914487"	403.210186	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1294112"	439.186864	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1368264"	255.211924	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1383936"	273.2219	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"283256"	581.456476	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"676771"	871.681076	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1352393"	291.231876	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"131119"	291.231876	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"567395"	436.344176	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1038133"	146.119576	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"204940"	194.490342666667	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"645478"	291.231876	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1163369"	97.7488093333333	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"427252"	598.483023	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"786657"	888.707623	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1682391"	308.258423	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"330537"	299.7451495	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"722906"	444.8574495	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1487849"	154.6328495	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"406409"	603.438418	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"767403"	893.663018	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1615622"	313.213818	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"328832"	302.222847	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"718094"	447.335147	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1470819"	157.110547	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1067347"	105.076123333333	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1271942"	323.258086	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"390880"	619.412358	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"747500"	909.636958	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1549552"	329.187758	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"310374"	310.209817	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"700241"	455.322117	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1451876"	165.097517	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"247039"	622.483026	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1223031"	332.258426	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1206917"	166.632851	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"193228"	625.42036	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"630601"	915.64496	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1133498"	335.19576	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"176303"	313.213818	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"613797"	458.326118	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1117424"	168.101518	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1399003"	112.403437333333	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1430508"	337.237346	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"225795"	318.24684	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1512763"	351.28939	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"408572"	321.200788	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"770067"	466.313088	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1665637"	176.088488	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"261775"	644.464968	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1235576"	354.240368	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1718993"	354.263893	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1193101"	119.730751333333	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1664455"	359.219288	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"172407"	657.36824	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"610509"	947.59284	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1092834"	367.14364	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"147463"	329.187758	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"591399"	474.300058	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1081381"	184.075458	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1112402"	369.158192	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1341136"	369.245807	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1011854"	373.284976	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1526698"	374.278608	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"999706"	187.146126	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1588744"	375.193228	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1415496"	405.224738	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1153438"	207.659401	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1704085"	422.251285	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1645204"	427.20668	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1583042"	443.18062	"C07635"	"Epiandrosterone"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"812316"	396.8461	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M"	0
"977099"	377.82771	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-H2O-H"	-19.01839
"75190"	263.556790666667	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M-3H"	-3.021828
"515845"	395.838824	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M-3H"	-3.021828
"893283"	131.274757333333	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-3H"	-3.021828
"12222"	395.838824	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M-2H"	-2.014552
"451418"	594.261874	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M-2H"	-2.014552
"829583"	197.415774	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-2H"	-2.014552
"88480"	792.684924	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M-H"	-1.007276
"530963"	1189.531024	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M-H"	-1.007276
"909491"	395.838824	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-H"	-1.007276
"59859"	809.711471	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M-2H+NH4"	16.019271
"495412"	1206.557571	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M-2H+NH4"	16.019271
"874308"	412.865371	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-2H+NH4"	16.019271
"32730"	814.666866	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M-2H+Na"	20.974666
"471678"	1211.512966	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M-2H+Na"	20.974666
"850822"	417.820766	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-2H+Na"	20.974666
"1619625"	417.820766	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Na-2H"	20.974666
"94694"	413.827163	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M-H+Cl"	33.962126
"541909"	612.250213	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M-H+Cl"	33.962126
"932143"	215.404113	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-H+Cl"	33.962126
"269604"	828.661602	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+Cl"	34.969402
"664213"	1225.507702	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+Cl"	34.969402
"1276616"	431.815502	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Cl"	34.969402
"20264"	830.640806	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M-2H+K"	36.948606
"460918"	1227.486906	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M-2H+K"	36.948606
"835438"	433.794706	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-2H+K"	36.948606
"1556738"	433.794706	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+K-2H"	36.948606
"943520"	441.844294	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-H+HCOOH"	44.998194
"362221"	838.690401	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+HCOOH-H"	44.998201
"346347"	852.706051	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+Hac-H"	59.013851
"1503216"	455.859951	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Hac-H"	59.013851
"963832"	463.826251	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-H+NaCOOH"	66.980151
"117843"	431.815502	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+2Cl"	69.938804
"557403"	630.238552	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+2Cl"	69.938804
"1026565"	233.392452	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2Cl"	69.938804
"1244685"	475.764985	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Br"	78.918885
"1304945"	477.820972	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Cl+HCOOH"	80.974872
"1327549"	499.802929	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Cl+NaCOOH"	102.956829
"915323"	509.831686	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M-H+CF3COOH"	112.985586
"1296409"	545.808364	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Cl+CF3COOH"	148.962264
"1368374"	361.833424	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H-2H2O"	-35.012676
"1384773"	379.8434	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H-H2O"	-17.0027
"284822"	794.699476	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+H"	1.007276
"677243"	1191.545576	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+H"	1.007276
"1353233"	397.853376	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H"	1.007276
"127944"	397.853376	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+2H"	2.014552
"567869"	596.276426	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+2H"	2.014552
"1038608"	199.430326	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2H"	2.014552
"204564"	265.571342666667	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+3H"	3.021828
"645226"	397.853376	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+3H"	3.021828
"1163475"	133.289309333333	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+3H"	3.021828
"424929"	811.726023	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+NH4"	18.033823
"786163"	1208.572123	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+NH4"	18.033823
"1682132"	414.879923	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+NH4"	18.033823
"331137"	406.3666495	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+H+NH4"	19.041099
"724289"	604.7896995	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+H+NH4"	19.041099
"1489052"	207.9435995	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H+NH4"	19.041099
"403358"	816.681418	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+Na"	22.989218
"767634"	1213.527518	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+Na"	22.989218
"1608077"	419.835318	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Na"	22.989218
"327849"	408.844347	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+H+Na"	23.996494
"718204"	607.267397	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+H+Na"	23.996494
"1472023"	210.421297	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H+Na"	23.996494
"1067219"	140.616623333333	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2H+Na"	25.00377
"1271689"	429.879586	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+CH3OH+H"	33.033486
"389897"	832.655358	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+K"	38.963158
"748704"	1229.501458	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+K"	38.963158
"1549663"	435.809258	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+K"	38.963158
"310850"	416.831317	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+H+K"	39.970434
"702176"	615.254367	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+H+K"	39.970434
"1453080"	218.408267	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H+K"	39.970434
"246056"	835.726026	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+ACN+H"	42.033826
"1217670"	438.879926	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+ACN+H"	42.033826
"1205933"	219.943601	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+ACN+2H"	43.041102
"197711"	838.66336	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+2Na-H"	44.97116
"632895"	1235.50946	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+2Na-H"	44.97116
"1136402"	441.81726	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2Na-H"	44.97116
"176413"	419.835318	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+2Na"	45.978436
"613377"	618.258368	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+2Na"	45.978436
"1118383"	221.412268	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2Na"	45.978436
"1401908"	147.943937333333	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H+2Na"	46.985712
"1437305"	443.858846	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H+HCOOH"	47.012746
"225905"	424.86834	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+3H2O+2H"	56.04448
"1512874"	457.91089	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+IsoProp+H"	61.06479
"408564"	427.822288	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+Na+K"	61.952376
"770078"	626.245338	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+Na+K"	61.952376
"1665711"	229.399238	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Na+K"	61.952376
"262978"	857.707968	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+ACN+Na"	64.015768
"1234592"	460.861868	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+ACN+Na"	64.015768
"1716915"	460.885393	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+NH4+HCOOH"	64.039293
"1191754"	155.271251333333	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+3Na"	68.967654
"1664198"	465.840788	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Na+HCOOH"	68.994688
"172030"	870.61124	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+2K-H"	76.91904
"609891"	1267.45734	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+2K-H"	76.91904
"1096225"	473.76514	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2K-H"	76.91904
"147573"	435.809258	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"2M+2K"	77.926316
"592603"	634.232308	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"3M+2K"	77.926316
"1078214"	237.386208	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2K"	77.926316
"1110325"	475.779692	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2K+H"	78.933592
"1348537"	475.867307	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+DMSO+H"	79.021207
"1007588"	479.906476	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2ACN+H"	83.060376
"1530086"	480.900108	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+IsoProp+Na+H"	84.054008
"994348"	240.456876	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+2ACN+2H"	84.067652
"1588854"	481.814728	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+K+HCOOH"	84.968628
"1414877"	511.846238	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+H+CF3COOH"	115.000138
"1150632"	260.970151	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+3ACN+2H"	125.094202
"1704195"	528.872785	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+NH4+CF3COOH"	132.026685
"1645314"	533.82818	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+Na+CF3COOH"	136.98208
"1583152"	549.80212	"C07636"	"Iodoquinol"	"C9H5I2NO"	"396.8461"	"M+K+CF3COOH"	152.95602
"813519"	327.0065	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M"	0
"980491"	307.98811	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-H2O-H"	-19.01839
"77490"	216.997057333333	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M-3H"	-3.021828
"515956"	325.999224	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M-3H"	-3.021828
"892665"	107.994890666667	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-3H"	-3.021828
"15007"	325.999224	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M-2H"	-2.014552
"452987"	489.502474	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M-2H"	-2.014552
"825320"	162.495974	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-2H"	-2.014552
"85309"	653.005724	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M-H"	-1.007276
"533383"	980.012224	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M-H"	-1.007276
"908872"	325.999224	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-H"	-1.007276
"59242"	670.032271	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M-2H+NH4"	16.019271
"495523"	997.038771	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M-2H+NH4"	16.019271
"874419"	343.025771	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-2H+NH4"	16.019271
"36850"	674.987666	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M-2H+Na"	20.974666
"475317"	1001.994166	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M-2H+Na"	20.974666
"854212"	347.981166	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-2H+Na"	20.974666
"1620464"	347.981166	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Na-2H"	20.974666
"99180"	343.987563	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M-H+Cl"	33.962126
"540926"	507.490813	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M-H+Cl"	33.962126
"935534"	180.484313	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-H+Cl"	33.962126
"270808"	688.982402	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+Cl"	34.969402
"664323"	1015.988902	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+Cl"	34.969402
"1276726"	361.975902	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Cl"	34.969402
"17337"	690.961606	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M-2H+K"	36.948606
"459206"	1017.968106	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M-2H+K"	36.948606
"834816"	363.955106	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-2H+K"	36.948606
"1557209"	363.955106	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+K-2H"	36.948606
"943998"	372.004694	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-H+HCOOH"	44.998194
"362332"	699.011201	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+HCOOH-H"	44.998201
"346701"	713.026851	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+Hac-H"	59.013851
"1502232"	386.020351	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Hac-H"	59.013851
"965035"	393.986651	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-H+NaCOOH"	66.980151
"119775"	361.975902	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+2Cl"	69.938804
"559336"	525.479152	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+2Cl"	69.938804
"1026676"	198.472652	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2Cl"	69.938804
"1245891"	405.925385	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Br"	78.918885
"1307606"	407.981372	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Cl+HCOOH"	80.974872
"1325472"	429.963329	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Cl+NaCOOH"	102.956829
"916527"	439.992086	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M-H+CF3COOH"	112.985586
"1292146"	475.968764	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Cl+CF3COOH"	148.962264
"1369211"	291.993824	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H-2H2O"	-35.012676
"1384885"	310.0038	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H-H2O"	-17.0027
"284569"	655.020276	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+H"	1.007276
"681003"	982.026776	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+H"	1.007276
"1352251"	328.013776	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H"	1.007276
"126598"	328.013776	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+2H"	2.014552
"566033"	491.517026	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+2H"	2.014552
"1037580"	164.510526	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2H"	2.014552
"206502"	219.011609333333	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+3H"	3.021828
"645337"	328.013776	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+3H"	3.021828
"1164557"	110.009442666667	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+3H"	3.021828
"426368"	672.046823	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+NH4"	18.033823
"786030"	999.053323	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+NH4"	18.033823
"1681877"	345.040323	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+NH4"	18.033823
"331004"	336.5270495	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+H+NH4"	19.041099
"724035"	500.0302995	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+H+NH4"	19.041099
"1488069"	173.0237995	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H+NH4"	19.041099
"403468"	677.002218	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+Na"	22.989218
"764464"	1004.008718	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+Na"	22.989218
"1608187"	349.995718	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Na"	22.989218
"329177"	339.004747	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+H+Na"	23.996494
"721961"	502.507997	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+H+Na"	23.996494
"1475415"	175.501497	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H+Na"	23.996494
"1067937"	117.336756666667	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2H+Na"	25.00377
"1272409"	360.039986	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+CH3OH+H"	33.033486
"391952"	692.976158	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+K"	38.963158
"749908"	1019.982658	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+K"	38.963158
"1554147"	365.969658	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+K"	38.963158
"310231"	346.991717	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+H+K"	39.970434
"702650"	510.494967	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+H+K"	39.970434
"1454283"	183.488467	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H+K"	39.970434
"246166"	696.046826	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+ACN+H"	42.033826
"1217780"	369.040326	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+ACN+H"	42.033826
"1207136"	185.023801	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+ACN+2H"	43.041102
"197822"	698.98416	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+2Na-H"	44.97116
"629360"	1025.99066	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+2Na-H"	44.97116
"1133354"	371.97766	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2Na-H"	44.97116
"178709"	349.995718	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+2Na"	45.978436
"613407"	513.498968	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+2Na"	45.978436
"1116670"	186.492468	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2Na"	45.978436
"1402019"	124.664070666667	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H+2Na"	46.985712
"1435229"	374.019246	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H+HCOOH"	47.012746
"228202"	355.02874	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+3H2O+2H"	56.04448
"1516264"	388.07129	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+IsoProp+H"	61.06479
"409140"	357.982688	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+Na+K"	61.952376
"770621"	521.485938	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+Na+K"	61.952376
"1665901"	194.479438	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Na+K"	61.952376
"257621"	718.028768	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+ACN+Na"	64.015768
"1228142"	391.022268	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+ACN+Na"	64.015768
"1712891"	391.045793	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+NH4+HCOOH"	64.039293
"1192232"	131.991384666667	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+3Na"	68.967654
"1661025"	396.001188	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Na+HCOOH"	68.994688
"168980"	730.93204	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+2K-H"	76.91904
"608179"	1057.93854	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+2K-H"	76.91904
"1096337"	403.92554	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2K-H"	76.91904
"149870"	365.969658	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"2M+2K"	77.926316
"593806"	529.472908	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"3M+2K"	77.926316
"1080512"	202.466408	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2K"	77.926316
"1110436"	405.940092	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2K+H"	78.933592
"1348648"	406.027707	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+DMSO+H"	79.021207
"1014259"	410.066876	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2ACN+H"	83.060376
"1525824"	411.060508	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+IsoProp+Na+H"	84.054008
"994459"	205.537076	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+2ACN+2H"	84.067652
"1594429"	411.975128	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+K+HCOOH"	84.968628
"1425190"	442.006638	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+H+CF3COOH"	115.000138
"1156936"	226.050351	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+3ACN+2H"	125.094202
"1703212"	459.033185	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+NH4+CF3COOH"	132.026685
"1642144"	463.98858	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+Na+CF3COOH"	136.98208
"1583262"	479.96252	"C07637"	"Diloxanide furoate"	"C14H11Cl2NO4"	"327.0065"	"M+K+CF3COOH"	152.95602
"813629"	908.9421	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M"	0
"978414"	889.92371	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-H2O-H"	-19.01839
"76507"	604.954124	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M-3H"	-3.021828
"513879"	907.934824	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M-3H"	-3.021828
"890589"	301.973424	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-3H"	-3.021828
"8069"	907.934824	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M-2H"	-2.014552
"449815"	1362.405874	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M-2H"	-2.014552
"824337"	453.463774	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-2H"	-2.014552
"86512"	1816.876924	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M-H"	-1.007276
"528264"	2725.819024	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M-H"	-1.007276
"906795"	907.934824	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-H"	-1.007276
"56073"	1833.903471	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M-2H+NH4"	16.019271
"491259"	2742.845571	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M-2H+NH4"	16.019271
"869061"	924.961371	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-2H+NH4"	16.019271
"34774"	1838.858866	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M-2H+Na"	20.974666
"478708"	2747.800966	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M-2H+Na"	20.974666
"850070"	929.916766	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-2H+Na"	20.974666
"1623856"	929.916766	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Na-2H"	20.974666
"96131"	925.923163	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M-H+Cl"	33.962126
"537756"	1380.394213	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M-H+Cl"	33.962126
"928717"	471.452113	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-H+Cl"	33.962126
"268482"	1852.853602	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+Cl"	34.969402
"661515"	2761.795702	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+Cl"	34.969402
"1274890"	943.911502	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Cl"	34.969402
"18298"	1854.832806	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M-2H+K"	36.948606
"460046"	2763.774906	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M-2H+K"	36.948606
"835293"	945.890706	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-2H+K"	36.948606
"1557077"	945.890706	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+K-2H"	36.948606
"943132"	953.940294	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-H+HCOOH"	44.998194
"361670"	1862.882401	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+HCOOH-H"	44.998201
"345957"	1876.898051	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+Hac-H"	59.013851
"1501249"	967.955951	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Hac-H"	59.013851
"964781"	975.922251	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-H+NaCOOH"	66.980151
"119885"	943.911502	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+2Cl"	69.938804
"558353"	1398.382552	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+2Cl"	69.938804
"1026786"	489.440452	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2Cl"	69.938804
"1248917"	987.860985	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Br"	78.918885
"1309178"	989.916972	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Cl+HCOOH"	80.974872
"1328863"	1011.898929	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Cl+NaCOOH"	102.956829
"915180"	1021.927686	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M-H+CF3COOH"	112.985586
"1293349"	1057.904364	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Cl+CF3COOH"	148.962264
"1369323"	873.929424	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H-2H2O"	-35.012676
"1384632"	891.9394	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H-H2O"	-17.0027
"284679"	1818.891476	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+H"	1.007276
"678561"	2727.833576	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+H"	1.007276
"1353815"	909.949376	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H"	1.007276
"127433"	909.949376	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+2H"	2.014552
"567236"	1364.420426	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+2H"	2.014552
"1040166"	455.478326	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2H"	2.014552
"208432"	606.968676	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+3H"	3.021828
"646171"	909.949376	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+3H"	3.021828
"1163931"	303.987976	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+3H"	3.021828
"425018"	1835.918023	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+NH4"	18.033823
"785662"	2744.860123	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+NH4"	18.033823
"1682026"	926.975923	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+NH4"	18.033823
"330502"	918.4626495	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+H+NH4"	19.041099
"723371"	1372.9336995	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+H+NH4"	19.041099
"1480524"	463.9915995	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H+NH4"	19.041099
"403578"	1840.873418	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+Na"	22.989218
"763481"	2749.815518	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+Na"	22.989218
"1608661"	931.931318	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Na"	22.989218
"329774"	920.940347	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+H+Na"	23.996494
"721461"	1375.411397	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+H+Na"	23.996494
"1471149"	466.469297	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H+Na"	23.996494
"1063303"	311.31529	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2H+Na"	25.00377
"1271908"	941.975586	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+CH3OH+H"	33.033486
"390117"	1856.847358	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+K"	38.963158
"746737"	2765.789458	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+K"	38.963158
"1550976"	947.905258	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+K"	38.963158
"312527"	928.927317	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+H+K"	39.970434
"702760"	1383.398367	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+H+K"	39.970434
"1453300"	474.456267	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H+K"	39.970434
"247369"	1859.918026	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+ACN+H"	42.033826
"1215704"	950.975926	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+ACN+H"	42.033826
"1208702"	475.991601	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+ACN+2H"	43.041102
"191736"	1862.85536	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+2Na-H"	44.97116
"630203"	2771.79746	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+2Na-H"	44.97116
"1132735"	953.91326	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2Na-H"	44.97116
"177727"	931.931318	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+2Na"	45.978436
"613763"	1386.402368	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+2Na"	45.978436
"1118970"	477.460268	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2Na"	45.978436
"1402130"	318.642604	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H+2Na"	46.985712
"1437526"	955.954846	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H+HCOOH"	47.012746
"227219"	936.96434	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+3H2O+2H"	56.04448
"1516374"	970.00689	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+IsoProp+H"	61.06479
"409254"	939.918288	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+Na+K"	61.952376
"770286"	1394.389338	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+Na+K"	61.952376
"1666948"	485.447238	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Na+K"	61.952376
"257731"	1881.899968	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+ACN+Na"	64.015768
"1226184"	972.957868	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+ACN+Na"	64.015768
"1713855"	972.981393	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+NH4+HCOOH"	64.039293
"1191243"	325.969918	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+3Na"	68.967654
"1662228"	977.936788	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Na+HCOOH"	68.994688
"170183"	1894.80324	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+2K-H"	76.91904
"608651"	2803.74534	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+2K-H"	76.91904
"1089884"	985.86114	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2K-H"	76.91904
"149979"	947.905258	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"2M+2K"	77.926316
"590635"	1402.376308	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"3M+2K"	77.926316
"1081350"	493.434208	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2K"	77.926316
"1112371"	987.875692	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2K+H"	78.933592
"1345842"	987.963307	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+DMSO+H"	79.021207
"1015462"	992.002476	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2ACN+H"	83.060376
"1525932"	992.996108	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+IsoProp+Na+H"	84.054008
"994568"	496.504876	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+2ACN+2H"	84.067652
"1594538"	993.910728	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+K+HCOOH"	84.968628
"1423477"	1023.942238	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+H+CF3COOH"	115.000138
"1154858"	517.018151	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+3ACN+2H"	125.094202
"1703322"	1040.968785	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+NH4+CF3COOH"	132.026685
"1638974"	1045.92418	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+Na+CF3COOH"	136.98208
"1575717"	1061.89812	"C07638"	"Sodium stibogluconate;Antimony sodium gluconate"	"C12H20O17Sb29H2O3Na"	"908.9421"	"M+K+CF3COOH"	152.95602
"812646"	650.79	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M"	0
"977431"	631.77161	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-H2O-H"	-19.01839
"76612"	432.852724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M-3H"	-3.021828
"515810"	649.782724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M-3H"	-3.021828
"893248"	215.922724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-3H"	-3.021828
"9273"	649.782724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M-2H"	-2.014552
"452111"	975.177724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M-2H"	-2.014552
"825540"	324.387724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-2H"	-2.014552
"86622"	1300.572724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M-H"	-1.007276
"530198"	1951.362724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M-H"	-1.007276
"907269"	649.782724	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-H"	-1.007276
"56181"	1317.599271	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M-2H+NH4"	16.019271
"493555"	1968.389271	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M-2H+NH4"	16.019271
"870265"	666.809271	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-2H+NH4"	16.019271
"32818"	1322.554666	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M-2H+Na"	20.974666
"472619"	1973.344666	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M-2H+Na"	20.974666
"852246"	671.764666	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-2H+Na"	20.974666
"1626154"	671.764666	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Na-2H"	20.974666
"96605"	667.771063	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M-H+Cl"	33.962126
"535797"	993.166063	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M-H+Cl"	33.962126
"928706"	342.376063	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-H+Cl"	33.962126
"272122"	1336.549402	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+Cl"	34.969402
"660772"	1987.339402	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+Cl"	34.969402
"1274026"	685.759402	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Cl"	34.969402
"16583"	1338.528606	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M-2H+K"	36.948606
"457604"	1989.318606	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M-2H+K"	36.948606
"833255"	687.738606	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-2H+K"	36.948606
"1556945"	687.738606	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+K-2H"	36.948606
"943977"	695.788194	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-H+HCOOH"	44.998194
"361438"	1346.578201	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+HCOOH-H"	44.998201
"345743"	1360.593851	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+Hac-H"	59.013851
"1500266"	709.803851	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Hac-H"	59.013851
"964527"	717.770151	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-H+NaCOOH"	66.980151
"118902"	685.759402	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+2Cl"	69.938804
"556276"	1011.154402	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+2Cl"	69.938804
"1028356"	360.364402	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2Cl"	69.938804
"1246111"	729.708885	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Br"	78.918885
"1307464"	731.764872	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Cl+HCOOH"	80.974872
"1327880"	753.746829	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Cl+NaCOOH"	102.956829
"914924"	763.775586	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M-H+CF3COOH"	112.985586
"1294918"	799.752264	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Cl+CF3COOH"	148.962264
"1368704"	615.777324	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H-2H2O"	-35.012676
"1385105"	633.7873	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H-H2O"	-17.0027
"286616"	1302.587276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+H"	1.007276
"681226"	1953.377276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+H"	1.007276
"1357574"	651.797276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H"	1.007276
"129003"	651.797276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+2H"	2.014552
"566373"	977.192276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+2H"	2.014552
"1039184"	326.402276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2H"	2.014552
"205628"	434.867276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+3H"	3.021828
"647009"	651.797276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+3H"	3.021828
"1166601"	217.937276	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+3H"	3.021828
"424890"	1319.613823	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+NH4"	18.033823
"785661"	1970.403823	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+NH4"	18.033823
"1682461"	668.823823	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+NH4"	18.033823
"331833"	660.3105495	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+H+NH4"	19.041099
"723161"	985.7055495	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+H+NH4"	19.041099
"1480634"	334.9155495	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H+NH4"	19.041099
"403688"	1324.569218	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+Na"	22.989218
"764684"	1975.359218	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+Na"	22.989218
"1610594"	673.779218	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Na"	22.989218
"328304"	662.788247	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+H+Na"	23.996494
"721328"	988.183247	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+H+Na"	23.996494
"1472351"	337.393247	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H+Na"	23.996494
"1064143"	225.26459	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2H+Na"	25.00377
"1270925"	683.823486	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+CH3OH+H"	33.033486
"384759"	1340.543158	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+K"	38.963158
"747941"	1991.333158	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+K"	38.963158
"1551085"	689.753158	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+K"	38.963158
"310451"	670.775217	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+H+K"	39.970434
"704696"	996.170217	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+H+K"	39.970434
"1453410"	345.380217	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H+K"	39.970434
"246386"	1343.613826	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+ACN+H"	42.033826
"1216907"	692.823826	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+ACN+H"	42.033826
"1208813"	346.915551	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+ACN+2H"	43.041102
"191482"	1346.55116	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+2Na-H"	44.97116
"634321"	1997.34116	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+2Na-H"	44.97116
"1134546"	695.76116	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2Na-H"	44.97116
"177108"	673.779218	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+2Na"	45.978436
"614845"	999.174218	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+2Na"	45.978436
"1117986"	348.384218	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2Na"	45.978436
"1404428"	232.591904	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H+2Na"	46.985712
"1436543"	697.802746	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H+HCOOH"	47.012746
"232797"	678.81224	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+3H2O+2H"	56.04448
"1515391"	711.85479	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+IsoProp+H"	61.06479
"410339"	681.766188	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+Na+K"	61.952376
"771695"	1007.161188	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+Na+K"	61.952376
"1666331"	356.371188	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Na+K"	61.952376
"257841"	1365.595768	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+ACN+Na"	64.015768
"1226779"	714.805768	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+ACN+Na"	64.015768
"1716151"	714.829293	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+NH4+HCOOH"	64.039293
"1193176"	239.919218	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+3Na"	68.967654
"1663435"	719.784688	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Na+HCOOH"	68.994688
"169199"	1378.49904	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+2K-H"	76.91904
"610948"	2029.28904	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+2K-H"	76.91904
"1093274"	727.70904	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2K-H"	76.91904
"152277"	689.753158	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"2M+2K"	77.926316
"587465"	1015.148158	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"3M+2K"	77.926316
"1080732"	364.358158	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2K"	77.926316
"1112847"	729.723592	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2K+H"	78.933592
"1347775"	729.811207	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+DMSO+H"	79.021207
"1015575"	733.850376	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2ACN+H"	83.060376
"1525311"	734.844008	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+IsoProp+Na+H"	84.054008
"994679"	367.428826	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+2ACN+2H"	84.067652
"1596835"	735.758628	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+K+HCOOH"	84.968628
"1424681"	765.790138	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+H+CF3COOH"	115.000138
"1157156"	387.942101	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+3ACN+2H"	125.094202
"1704521"	782.816685	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+NH4+CF3COOH"	132.026685
"1647832"	787.77208	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+Na+CF3COOH"	136.98208
"1583482"	803.74602	"C07639"	"335-Triiodo-L-thyronine;335-Triiodothyronine;Reverse triiodothyronine;rT3"	"C15H12I3NO4"	"650.79"	"M+K+CF3COOH"	152.95602
"812756"	247.1088	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M"	0
"978634"	228.09041	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-H2O-H"	-19.01839
"76722"	163.731924	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M-3H"	-3.021828
"511912"	246.101524	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M-3H"	-3.021828
"891900"	81.362324	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-3H"	-3.021828
"10476"	246.101524	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M-2H"	-2.014552
"450035"	369.655924	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M-2H"	-2.014552
"822370"	122.547124	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-2H"	-2.014552
"83452"	493.210324	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M-H"	-1.007276
"530672"	740.319124	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M-H"	-1.007276
"907379"	246.101524	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-H"	-1.007276
"53009"	510.236871	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M-2H+NH4"	16.019271
"488195"	757.345671	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M-2H+NH4"	16.019271
"869280"	263.128071	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-2H+NH4"	16.019271
"31711"	515.192266	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M-2H+Na"	20.974666
"472487"	762.301066	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M-2H+Na"	20.974666
"853449"	268.083466	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-2H+Na"	20.974666
"1619091"	268.083466	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Na-2H"	20.974666
"95864"	264.089863	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M-H+Cl"	33.962126
"535179"	387.644263	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M-H+Cl"	33.962126
"927479"	140.535463	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-H+Cl"	33.962126
"271138"	529.187002	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+Cl"	34.969402
"660154"	776.295802	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+Cl"	34.969402
"1273410"	282.078202	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Cl"	34.969402
"16006"	531.166206	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M-2H+K"	36.948606
"455970"	778.275006	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M-2H+K"	36.948606
"833568"	284.057406	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-2H+K"	36.948606
"1556812"	284.057406	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+K-2H"	36.948606
"942989"	292.106994	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-H+HCOOH"	44.998194
"361856"	539.215801	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+HCOOH-H"	44.998201
"345939"	553.231451	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+Hac-H"	59.013851
"1497824"	306.122651	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Hac-H"	59.013851
"964637"	314.088951	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-H+NaCOOH"	66.980151
"117919"	282.078202	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+2Cl"	69.938804
"555293"	405.632602	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+2Cl"	69.938804
"1028466"	158.523802	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2Cl"	69.938804
"1246949"	326.027685	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Br"	78.918885
"1307574"	328.083672	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Cl+HCOOH"	80.974872
"1329083"	350.065629	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Cl+NaCOOH"	102.956829
"914673"	360.094386	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M-H+CF3COOH"	112.985586
"1296851"	396.071064	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Cl+CF3COOH"	148.962264
"1369178"	212.096124	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H-2H2O"	-35.012676
"1385219"	230.1061	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H-H2O"	-17.0027
"288915"	495.224876	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+H"	1.007276
"683524"	742.333676	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+H"	1.007276
"1360966"	248.116076	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H"	1.007276
"129478"	248.116076	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+2H"	2.014552
"567581"	371.670476	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+2H"	2.014552
"1039296"	124.561676	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2H"	2.014552
"206468"	165.746476	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+3H"	3.021828
"647848"	248.116076	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+3H"	3.021828
"1168898"	83.376876	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+3H"	3.021828
"426703"	512.251423	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+NH4"	18.033823
"785792"	759.360223	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+NH4"	18.033823
"1681475"	265.142623	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+NH4"	18.033823
"330483"	256.6293495	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+H+NH4"	19.041099
"723634"	380.1837495	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+H+NH4"	19.041099
"1480744"	133.0749495	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H+NH4"	19.041099
"403798"	517.206818	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+Na"	22.989218
"766981"	764.315618	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+Na"	22.989218
"1610704"	270.098018	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Na"	22.989218
"328411"	259.107047	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+H+Na"	23.996494
"718642"	382.661447	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+H+Na"	23.996494
"1474528"	135.552647	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H+Na"	23.996494
"1064617"	90.70419	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2H+Na"	25.00377
"1268847"	280.142286	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+CH3OH+H"	33.033486
"385962"	533.180758	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+K"	38.963158
"745864"	780.289558	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+K"	38.963158
"1552287"	286.071958	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+K"	38.963158
"308373"	267.094017	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+H+K"	39.970434
"706223"	390.648417	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+H+K"	39.970434
"1453519"	143.539617	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H+K"	39.970434
"243214"	536.251426	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+ACN+H"	42.033826
"1218111"	289.142626	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+ACN+H"	42.033826
"1209288"	145.074951	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+ACN+2H"	43.041102
"191226"	539.18876	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+2Na-H"	44.97116
"636618"	786.29756	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+2Na-H"	44.97116
"1133927"	292.07996	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2Na-H"	44.97116
"174422"	270.098018	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+2Na"	45.978436
"615684"	393.652418	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+2Na"	45.978436
"1117367"	146.543618	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2Na"	45.978436
"1404901"	98.031504	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H+2Na"	46.985712
"1436653"	294.121546	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H+HCOOH"	47.012746
"229627"	275.13104	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+3H2O+2H"	56.04448
"1512585"	308.17359	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+IsoProp+H"	61.06479
"410447"	278.084988	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+Na+K"	61.952376
"770146"	401.639388	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+Na+K"	61.952376
"1665746"	154.530588	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Na+K"	61.952376
"259044"	558.233368	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+ACN+Na"	64.015768
"1226160"	311.124568	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+ACN+Na"	64.015768
"1715168"	311.148093	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+NH4+HCOOH"	64.039293
"1193649"	105.358818	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+3Na"	68.967654
"1663542"	316.103488	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Na+HCOOH"	68.994688
"166029"	571.13664	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+2K-H"	76.91904
"606685"	818.24544	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+2K-H"	76.91904
"1093384"	324.02784	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2K-H"	76.91904
"152387"	286.071958	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"2M+2K"	77.926316
"587575"	409.626358	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"3M+2K"	77.926316
"1081930"	162.517558	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2K"	77.926316
"1113320"	326.042392	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2K+H"	78.933592
"1346059"	326.130007	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+DMSO+H"	79.021207
"1013498"	330.169176	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2ACN+H"	83.060376
"1535993"	331.162808	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+IsoProp+Na+H"	84.054008
"993695"	165.588226	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+2ACN+2H"	84.067652
"1591478"	332.077428	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+K+HCOOH"	84.968628
"1422604"	362.108938	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+H+CF3COOH"	115.000138
"1150705"	186.101501	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+3ACN+2H"	125.094202
"1701351"	379.135485	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+NH4+CF3COOH"	132.026685
"1647942"	384.09088	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+Na+CF3COOH"	136.98208
"1583592"	400.06482	"C07640"	"Semustine;Methyl-CCNU;1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea"	"C10H18ClN3O2"	"247.1088"	"M+K+CF3COOH"	152.95602
"813959"	189.049	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M"	0
"978744"	170.03061	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-H2O-H"	-19.01839
"74645"	125.025390666667	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M-3H"	-3.021828
"510928"	188.041724	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M-3H"	-3.021828
"889823"	62.0090573333333	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-3H"	-3.021828
"7305"	188.041724	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M-2H"	-2.014552
"449052"	282.566224	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M-2H"	-2.014552
"821387"	93.517224	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-2H"	-2.014552
"82469"	377.090724	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M-H"	-1.007276
"529689"	566.139724	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M-H"	-1.007276
"905302"	188.041724	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-H"	-1.007276
"52026"	394.117271	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M-2H+NH4"	16.019271
"488306"	583.166271	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M-2H+NH4"	16.019271
"870483"	205.068271	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-2H+NH4"	16.019271
"31494"	399.072666	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M-2H+Na"	20.974666
"471496"	588.121666	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M-2H+Na"	20.974666
"851736"	210.023666	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-2H+Na"	20.974666
"1618711"	210.023666	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Na-2H"	20.974666
"95244"	206.030063	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M-H+Cl"	33.962126
"534475"	300.554563	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M-H+Cl"	33.962126
"928074"	111.505563	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-H+Cl"	33.962126
"268939"	413.067402	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+Cl"	34.969402
"660001"	602.116402	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+Cl"	34.969402
"1273559"	224.018402	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Cl"	34.969402
"15722"	415.046606	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M-2H+K"	36.948606
"456077"	604.095606	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M-2H+K"	36.948606
"832827"	225.997606	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-2H+K"	36.948606
"1555716"	225.997606	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+K-2H"	36.948606
"942866"	234.047194	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-H+HCOOH"	44.998194
"362328"	423.096201	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+HCOOH-H"	44.998201
"345889"	437.111851	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+Hac-H"	59.013851
"1496107"	248.062851	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Hac-H"	59.013851
"958566"	256.029151	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-H+NaCOOH"	66.980151
"113650"	224.018402	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+2Cl"	69.938804
"552848"	318.542902	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+2Cl"	69.938804
"1024928"	129.493902	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2Cl"	69.938804
"1244506"	267.967885	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Br"	78.918885
"1308048"	270.023872	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Cl+HCOOH"	80.974872
"1328100"	292.005829	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Cl+NaCOOH"	102.956829
"912713"	302.034586	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M-H+CF3COOH"	112.985586
"1292223"	338.011264	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Cl+CF3COOH"	148.962264
"1368679"	154.036324	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H-2H2O"	-35.012676
"1384233"	172.0463	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H-H2O"	-17.0027
"288296"	379.105276	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+H"	1.007276
"677072"	568.154276	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+H"	1.007276
"1352447"	190.056276	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H"	1.007276
"128496"	190.056276	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+2H"	2.014552
"566962"	284.580776	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+2H"	2.014552
"1037945"	95.531776	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2H"	2.014552
"204876"	127.039942666667	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+3H"	3.021828
"646136"	190.056276	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+3H"	3.021828
"1171194"	64.0236093333333	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+3H"	3.021828
"427177"	396.131823	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+NH4"	18.033823
"786225"	585.180823	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+NH4"	18.033823
"1682192"	207.082823	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+NH4"	18.033823
"331080"	198.5695495	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+H+NH4"	19.041099
"723662"	293.0940495	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+H+NH4"	19.041099
"1480854"	104.0450495	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H+NH4"	19.041099
"400628"	401.087218	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+Na"	22.989218
"757249"	590.136218	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+Na"	22.989218
"1610814"	212.038218	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Na"	22.989218
"325968"	201.047247	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+H+Na"	23.996494
"719725"	295.571747	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+H+Na"	23.996494
"1470384"	106.522747	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H+Na"	23.996494
"1060347"	71.3509233333333	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2H+Na"	25.00377
"1264218"	222.082486	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+CH3OH+H"	33.033486
"383883"	417.061158	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+K"	38.963158
"749252"	606.110158	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+K"	38.963158
"1549118"	228.012158	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+K"	38.963158
"308483"	209.034217	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+H+K"	39.970434
"701998"	303.558717	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+H+K"	39.970434
"1453629"	114.509717	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H+K"	39.970434
"242231"	420.131826	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+ACN+H"	42.033826
"1217127"	231.082826	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+ACN+H"	42.033826
"1206846"	116.045051	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+ACN+2H"	43.041102
"193886"	423.06916	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+2Na-H"	44.97116
"637821"	612.11816	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+2Na-H"	44.97116
"1131848"	234.02016	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2Na-H"	44.97116
"179150"	212.038218	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+2Na"	45.978436
"620897"	306.562718	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+2Na"	45.978436
"1121486"	117.513718	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2Na"	45.978436
"1403551"	78.6782373333333	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H+2Na"	46.985712
"1436759"	236.061746	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H+HCOOH"	47.012746
"226454"	217.07124	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+3H2O+2H"	56.04448
"1512329"	250.11379	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+IsoProp+H"	61.06479
"409052"	220.025188	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+Na+K"	61.952376
"770535"	314.549688	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+Na+K"	61.952376
"1666056"	125.500688	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Na+K"	61.952376
"258061"	442.113768	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+ACN+Na"	64.015768
"1225703"	253.064768	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+ACN+Na"	64.015768
"1713089"	253.088293	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+NH4+HCOOH"	64.039293
"1192666"	86.0055513333333	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+3Na"	68.967654
"1663652"	258.043688	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Na+HCOOH"	68.994688
"165045"	455.01704	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+2K-H"	76.91904
"606795"	644.06604	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+2K-H"	76.91904
"1093494"	265.96804	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2K-H"	76.91904
"152497"	228.012158	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"2M+2K"	77.926316
"588778"	322.536658	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"3M+2K"	77.926316
"1074387"	133.487658	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2K"	77.926316
"1108691"	267.982592	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2K+H"	78.933592
"1347261"	268.070207	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+DMSO+H"	79.021207
"1015790"	272.109376	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2ACN+H"	83.060376
"1533915"	273.103008	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+IsoProp+Na+H"	84.054008
"993805"	136.558326	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+2ACN+2H"	84.067652
"1590495"	274.017628	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+K+HCOOH"	84.968628
"1422714"	304.049138	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+H+CF3COOH"	115.000138
"1150815"	157.071601	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+3ACN+2H"	125.094202
"1701461"	321.075685	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+NH4+CF3COOH"	132.026685
"1648052"	326.03108	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+Na+CF3COOH"	136.98208
"1583702"	342.00502	"C07641"	"Thiotepa"	"C6H12N3PS"	"189.049"	"M+K+CF3COOH"	152.95602
"814069"	204.1123	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M"	0
"978854"	185.09391	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-H2O-H"	-19.01839
"74755"	135.067590666667	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M-3H"	-3.021828
"512131"	203.105024	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M-3H"	-3.021828
"888840"	67.0301573333333	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-3H"	-3.021828
"10695"	203.105024	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M-2H"	-2.014552
"449162"	305.161174	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M-2H"	-2.014552
"825871"	101.048874	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-2H"	-2.014552
"85861"	407.217324	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M-H"	-1.007276
"527612"	611.329624	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M-H"	-1.007276
"905416"	203.105024	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-H"	-1.007276
"56509"	424.243871	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M-2H+NH4"	16.019271
"489509"	628.356171	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M-2H+NH4"	16.019271
"869863"	220.131571	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-2H+NH4"	16.019271
"31914"	429.199266	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M-2H+Na"	20.974666
"474044"	633.311566	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M-2H+Na"	20.974666
"848847"	225.086966	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-2H+Na"	20.974666
"1618742"	225.086966	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Na-2H"	20.974666
"97177"	221.093363	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M-H+Cl"	33.962126
"534704"	323.149513	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M-H+Cl"	33.962126
"930980"	119.037213	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-H+Cl"	33.962126
"268807"	443.194002	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+Cl"	34.969402
"660620"	647.306302	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+Cl"	34.969402
"1272829"	239.081702	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Cl"	34.969402
"16178"	445.173206	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M-2H+K"	36.948606
"456960"	649.285506	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M-2H+K"	36.948606
"833261"	241.060906	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-2H+K"	36.948606
"1556054"	241.060906	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+K-2H"	36.948606
"943577"	249.110494	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-H+HCOOH"	44.998194
"361795"	453.222801	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+HCOOH-H"	44.998201
"347132"	467.238451	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+Hac-H"	59.013851
"1498040"	263.126151	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Hac-H"	59.013851
"962671"	271.092451	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-H+NaCOOH"	66.980151
"114125"	239.081702	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+2Cl"	69.938804
"552593"	341.137852	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+2Cl"	69.938804
"1022483"	137.025552	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2Cl"	69.938804
"1243159"	283.031185	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Br"	78.918885
"1305727"	285.087172	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Cl+HCOOH"	80.974872
"1320305"	307.069129	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Cl+NaCOOH"	102.956829
"913190"	317.097886	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M-H+CF3COOH"	112.985586
"1291235"	353.074564	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Cl+CF3COOH"	148.962264
"1368424"	169.099624	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H-2H2O"	-35.012676
"1385436"	187.1096	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H-H2O"	-17.0027
"283128"	409.231876	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+H"	1.007276
"676690"	613.344176	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+H"	1.007276
"1352065"	205.119576	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H"	1.007276
"125769"	205.119576	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+2H"	2.014552
"567438"	307.175726	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+2H"	2.014552
"1038061"	103.063426	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2H"	2.014552
"208149"	137.082142666667	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+3H"	3.021828
"654271"	205.119576	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+3H"	3.021828
"1172033"	69.0447093333333	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+3H"	3.021828
"425222"	426.258423	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+NH4"	18.033823
"786460"	630.370723	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+NH4"	18.033823
"1681490"	222.146123	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+NH4"	18.033823
"331678"	213.6328495	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+H+NH4"	19.041099
"726047"	315.6889995	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+H+NH4"	19.041099
"1490806"	111.5766995	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H+NH4"	19.041099
"407790"	431.213818	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+Na"	22.989218
"769027"	635.326118	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+Na"	22.989218
"1610925"	227.101518	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Na"	22.989218
"326078"	216.110547	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+H+Na"	23.996494
"714489"	318.166697	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+H+Na"	23.996494
"1471585"	114.054397	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H+Na"	23.996494
"1061550"	76.3720233333333	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2H+Na"	25.00377
"1266508"	237.145786	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+CH3OH+H"	33.033486
"383992"	447.187758	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+K"	38.963158
"751548"	651.300058	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+K"	38.963158
"1548136"	243.075458	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+K"	38.963158
"307499"	224.097517	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+H+K"	39.970434
"704293"	326.153667	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+H+K"	39.970434
"1448271"	122.041367	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H+K"	39.970434
"246719"	450.258426	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+ACN+H"	42.033826
"1216148"	246.146126	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+ACN+H"	42.033826
"1198209"	123.576701	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+ACN+2H"	43.041102
"195090"	453.19576	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+2Na-H"	44.97116
"628931"	657.30806	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+2Na-H"	44.97116
"1131749"	249.08346	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2Na-H"	44.97116
"173500"	227.101518	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+2Na"	45.978436
"613835"	329.157668	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+2Na"	45.978436
"1116730"	125.045368	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2Na"	45.978436
"1401473"	83.6993373333333	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H+2Na"	46.985712
"1430788"	251.125046	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H+HCOOH"	47.012746
"220239"	232.13454	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+3H2O+2H"	56.04448
"1508787"	265.17709	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+IsoProp+H"	61.06479
"408618"	235.088488	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+Na+K"	61.952376
"770937"	337.144638	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+Na+K"	61.952376
"1670553"	133.032338	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Na+K"	61.952376
"261450"	472.240368	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+ACN+Na"	64.015768
"1237441"	268.128068	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+ACN+Na"	64.015768
"1721952"	268.151593	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+NH4+HCOOH"	64.039293
"1189496"	91.0266513333333	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+3Na"	68.967654
"1655015"	273.106988	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Na+HCOOH"	68.994688
"169533"	485.14364	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+2K-H"	76.91904
"605811"	689.25594	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+2K-H"	76.91904
"1087405"	281.03134	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2K-H"	76.91904
"144954"	243.075458	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"2M+2K"	77.926316
"589984"	345.131608	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"3M+2K"	77.926316
"1074497"	141.019308	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2K"	77.926316
"1105520"	283.045892	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2K+H"	78.933592
"1340812"	283.133507	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+DMSO+H"	79.021207
"1009342"	287.172676	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2ACN+H"	83.060376
"1531840"	288.166308	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+IsoProp+Na+H"	84.054008
"990999"	144.089976	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+2ACN+2H"	84.067652
"1587442"	289.080928	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+K+HCOOH"	84.968628
"1415411"	319.112438	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+H+CF3COOH"	115.000138
"1147644"	164.603251	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+3ACN+2H"	125.094202
"1697113"	336.138985	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+NH4+CF3COOH"	132.026685
"1635764"	341.09438	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+Na+CF3COOH"	136.98208
"1577250"	357.06832	"C07642"	"Triethylenemelamine;Trisaziridinyltriazine;246-Tris(1-aziridinyl)-s-triazine"	"C9H12N6"	"204.1123"	"M+K+CF3COOH"	152.95602
"814179"	276.0197	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M"	0
"984431"	257.00131	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H2O-H"	-19.01839
"75958"	183.005857333333	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-3H"	-3.021828
"515522"	275.012424	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-3H"	-3.021828
"892230"	90.9992906666667	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-3H"	-3.021828
"14086"	275.012424	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H"	-2.014552
"452191"	413.022274	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H"	-2.014552
"830357"	137.002574	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H"	-2.014552
"93147"	551.032124	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H"	-1.007276
"532100"	827.051824	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H"	-1.007276
"902245"	275.012424	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H"	-1.007276
"52613"	568.058671	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+NH4"	16.019271
"491079"	844.078371	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+NH4"	16.019271
"869245"	292.038971	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+NH4"	16.019271
"37508"	573.014066	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+Na"	20.974666
"474518"	849.033766	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+Na"	20.974666
"849525"	296.994366	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+Na"	20.974666
"1623311"	296.994366	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na-2H"	20.974666
"98384"	293.000763	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H+Cl"	33.962126
"539038"	431.010613	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H+Cl"	33.962126
"933281"	154.990913	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+Cl"	33.962126
"274754"	587.008802	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Cl"	34.969402
"664986"	863.028502	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Cl"	34.969402
"1275930"	310.989102	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl"	34.969402
"19579"	588.988006	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+K"	36.948606
"461691"	865.007706	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+K"	36.948606
"837306"	312.968306	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+K"	36.948606
"1561159"	312.968306	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K-2H"	36.948606
"947949"	321.017894	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+HCOOH"	44.998194
"367991"	597.037601	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+HCOOH-H"	44.998201
"351144"	611.053251	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Hac-H"	59.013851
"1496694"	335.033551	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Hac-H"	59.013851
"963145"	342.999851	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+NaCOOH"	66.980151
"114973"	310.989102	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Cl"	69.938804
"556719"	448.998952	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Cl"	69.938804
"1032078"	172.979252	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Cl"	69.938804
"1244731"	354.938585	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Br"	78.918885
"1308273"	356.994572	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+HCOOH"	80.974872
"1322852"	378.976529	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+NaCOOH"	102.956829
"915007"	389.005286	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+CF3COOH"	112.985586
"1291713"	424.981964	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+CF3COOH"	148.962264
"1367643"	241.007024	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-2H2O"	-35.012676
"1384088"	259.017	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-H2O"	-17.0027
"282858"	553.046676	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H"	1.007276
"675706"	829.066376	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H"	1.007276
"1352183"	277.026976	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H"	1.007276
"129812"	277.026976	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2H"	2.014552
"571560"	415.036826	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2H"	2.014552
"1037562"	139.017126	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H"	2.014552
"214821"	185.020409333333	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H"	3.021828
"653288"	277.026976	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+3H"	3.021828
"1171416"	93.0138426666667	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3H"	3.021828
"425453"	570.073223	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+NH4"	18.033823
"788030"	846.092923	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+NH4"	18.033823
"1686548"	294.053523	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4"	18.033823
"334826"	285.5402495	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+NH4"	19.041099
"725431"	423.5500995	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+NH4"	19.041099
"1492586"	147.5303995	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+NH4"	19.041099
"407419"	575.028618	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na"	22.989218
"765138"	851.048318	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na"	22.989218
"1616513"	299.008918	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na"	22.989218
"328739"	288.017947	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+Na"	23.996494
"721163"	426.027797	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+Na"	23.996494
"1474981"	150.008097	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+Na"	23.996494
"1067136"	100.341156666667	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H+Na"	25.00377
"1268811"	309.053186	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+CH3OH+H"	33.033486
"384106"	591.002558	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+K"	38.963158
"750569"	867.022258	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+K"	38.963158
"1551528"	314.982858	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K"	38.963158
"307610"	296.004917	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+K"	39.970434
"702220"	434.014767	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+K"	39.970434
"1460050"	157.995067	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+K"	39.970434
"244642"	594.073226	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+H"	42.033826
"1218446"	318.053526	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+H"	42.033826
"1201237"	159.530401	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+2H"	43.041102
"197388"	597.01056	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na-H"	44.97116
"633301"	873.03026	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na-H"	44.97116
"1133527"	320.99086	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na-H"	44.97116
"174994"	299.008918	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na"	45.978436
"616011"	437.018768	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na"	45.978436
"1116722"	160.999068	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na"	45.978436
"1403044"	107.668470666667	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+2Na"	46.985712
"1439168"	323.032446	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+HCOOH"	47.012746
"223032"	304.04194	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H2O+2H"	56.04448
"1512552"	337.08449	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+H"	61.06479
"409313"	306.995888	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na+K"	61.952376
"771047"	445.005738	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na+K"	61.952376
"1668838"	168.986038	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+K"	61.952376
"257188"	616.055168	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+Na"	64.015768
"1236457"	340.035468	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+Na"	64.015768
"1724982"	340.058993	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+HCOOH"	64.039293
"1191795"	114.995784666667	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3Na"	68.967654
"1657319"	345.014388	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+HCOOH"	68.994688
"158709"	628.95844	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K-H"	76.91904
"602643"	904.97814	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K-H"	76.91904
"1095905"	352.93874	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K-H"	76.91904
"149437"	314.982858	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K"	77.926316
"582805"	452.992708	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K"	77.926316
"1074607"	176.973008	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K"	77.926316
"1110002"	354.953292	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K+H"	78.933592
"1337031"	355.040907	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+DMSO+H"	79.021207
"1008356"	359.080076	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+H"	83.060376
"1533043"	360.073708	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+Na+H"	84.054008
"1000585"	180.043676	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+2H"	84.067652
"1587471"	360.988328	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+HCOOH"	84.968628
"1419653"	391.019838	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+CF3COOH"	115.000138
"1152129"	200.556951	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3ACN+2H"	125.094202
"1700588"	408.046385	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+CF3COOH"	132.026685
"1636238"	413.00178	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+CF3COOH"	136.98208
"1577360"	428.97572	"C07643"	"4-Hydroxycyclophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+CF3COOH"	152.95602
"811010"	274.0041	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M"	0
"987826"	254.98571	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H2O-H"	-19.01839
"76068"	181.662124	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-3H"	-3.021828
"514539"	272.996824	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-3H"	-3.021828
"890154"	90.327424	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-3H"	-3.021828
"13468"	272.996824	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H"	-2.014552
"448292"	409.998874	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H"	-2.014552
"824999"	135.994774	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H"	-2.014552
"89367"	547.000924	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-H"	-1.007276
"523460"	821.005024	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-H"	-1.007276
"899078"	272.996824	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H"	-1.007276
"52357"	564.027471	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H+NH4"	16.019271
"491918"	838.031571	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H+NH4"	16.019271
"869717"	290.023371	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H+NH4"	16.019271
"33123"	568.982866	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H+Na"	20.974666
"477182"	842.986966	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H+Na"	20.974666
"852794"	294.978766	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H+Na"	20.974666
"1619410"	294.978766	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na-2H"	20.974666
"99588"	290.985163	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-H+Cl"	33.962126
"538419"	427.987213	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-H+Cl"	33.962126
"931206"	153.983113	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+Cl"	33.962126
"274865"	582.977602	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Cl"	34.969402
"668379"	856.981702	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+Cl"	34.969402
"1279687"	308.973502	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl"	34.969402
"22242"	584.956806	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H+K"	36.948606
"462896"	858.960906	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H+K"	36.948606
"841793"	310.952706	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H+K"	36.948606
"1559815"	310.952706	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K-2H"	36.948606
"947696"	319.002294	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+HCOOH"	44.998194
"368101"	593.006401	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+HCOOH-H"	44.998201
"349797"	607.022051	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Hac-H"	59.013851
"1500819"	333.017951	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Hac-H"	59.013851
"963988"	340.984251	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+NaCOOH"	66.980151
"116179"	308.973502	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2Cl"	69.938804
"557926"	445.975552	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2Cl"	69.938804
"1031099"	171.971452	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2Cl"	69.938804
"1248491"	352.922985	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Br"	78.918885
"1305832"	354.978972	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl+HCOOH"	80.974872
"1326245"	376.960929	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl+NaCOOH"	102.956829
"914024"	386.989686	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+CF3COOH"	112.985586
"1290364"	422.966364	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl+CF3COOH"	148.962264
"1367115"	238.991424	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H-2H2O"	-35.012676
"1382853"	257.0014	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H-H2O"	-17.0027
"283877"	549.015476	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H"	1.007276
"675814"	823.019576	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H"	1.007276
"1351426"	275.011376	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H"	1.007276
"125753"	275.011376	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2H"	2.014552
"566442"	412.013426	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2H"	2.014552
"1037336"	138.009326	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2H"	2.014552
"204913"	183.676676	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+3H"	3.021828
"647930"	275.011376	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+3H"	3.021828
"1166057"	92.341976	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+3H"	3.021828
"425199"	566.042023	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+NH4"	18.033823
"788140"	840.046123	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+NH4"	18.033823
"1686659"	292.037923	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+NH4"	18.033823
"341504"	283.5246495	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H+NH4"	19.041099
"736112"	420.5266995	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H+NH4"	19.041099
"1492533"	146.5225995	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+NH4"	19.041099
"408514"	570.997418	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Na"	22.989218
"767435"	845.001518	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+Na"	22.989218
"1616622"	296.993318	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na"	22.989218
"324476"	286.002347	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H+Na"	23.996494
"721273"	423.004397	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H+Na"	23.996494
"1474727"	149.000297	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+Na"	23.996494
"1066519"	99.66929	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2H+Na"	25.00377
"1271842"	307.037586	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+CH3OH+H"	33.033486
"389684"	586.971358	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+K"	38.963158
"748493"	860.975458	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+K"	38.963158
"1550546"	312.967258	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K"	38.963158
"312098"	293.989317	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H+K"	39.970434
"704518"	430.991367	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H+K"	39.970434
"1456150"	156.987267	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+K"	39.970434
"244755"	590.042026	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+ACN+H"	42.033826
"1217465"	316.037926	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+ACN+H"	42.033826
"1200254"	158.522601	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+ACN+2H"	43.041102
"190936"	592.97936	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2Na-H"	44.97116
"630130"	866.98346	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2Na-H"	44.97116
"1131435"	318.97526	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2Na-H"	44.97116
"172977"	296.993318	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2Na"	45.978436
"612971"	433.995368	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2Na"	45.978436
"1116586"	159.991268	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2Na"	45.978436
"1401330"	106.996604	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+2Na"	46.985712
"1431258"	321.016846	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+HCOOH"	47.012746
"221683"	302.02634	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+3H2O+2H"	56.04448
"1510477"	335.06889	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+IsoProp+H"	61.06479
"410525"	304.980288	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Na+K"	61.952376
"770183"	441.982338	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+Na+K"	61.952376
"1668584"	167.978238	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na+K"	61.952376
"258026"	612.023968	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+ACN+Na"	64.015768
"1236570"	338.019868	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+ACN+Na"	64.015768
"1725459"	338.043393	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+NH4+HCOOH"	64.039293
"1189716"	114.323918	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+3Na"	68.967654
"1658519"	342.998788	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na+HCOOH"	68.994688
"159058"	624.92724	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2K-H"	76.91904
"599837"	898.93134	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2K-H"	76.91904
"1085194"	350.92314	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2K-H"	76.91904
"143348"	312.967258	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2K"	77.926316
"583031"	449.969308	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2K"	77.926316
"1073623"	175.965208	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2K"	77.926316
"1102458"	352.937692	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2K+H"	78.933592
"1336652"	353.025307	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+DMSO+H"	79.021207
"1008467"	357.064476	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2ACN+H"	83.060376
"1524890"	358.058108	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+IsoProp+Na+H"	84.054008
"990611"	179.035876	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2ACN+2H"	84.067652
"1588393"	358.972728	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K+HCOOH"	84.968628
"1415754"	389.004238	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+CF3COOH"	115.000138
"1150415"	199.549151	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+3ACN+2H"	125.094202
"1698146"	406.030785	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+NH4+CF3COOH"	132.026685
"1635254"	410.98618	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na+CF3COOH"	136.98208
"1575282"	426.96012	"C07644"	"4-Ketocyclophosphamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K+CF3COOH"	152.95602
"813311"	276.0197	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M"	0
"983564"	257.00131	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H2O-H"	-19.01839
"72901"	183.005857333333	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-3H"	-3.021828
"513554"	275.012424	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-3H"	-3.021828
"883703"	90.9992906666667	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-3H"	-3.021828
"4465"	275.012424	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H"	-2.014552
"448402"	413.022274	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H"	-2.014552
"826205"	137.002574	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H"	-2.014552
"81822"	551.032124	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H"	-1.007276
"522475"	827.051824	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H"	-1.007276
"904651"	275.012424	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H"	-1.007276
"49184"	568.058671	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+NH4"	16.019271
"490931"	844.078371	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+NH4"	16.019271
"869826"	292.038971	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+NH4"	16.019271
"33110"	573.014066	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+Na"	20.974666
"477292"	849.033766	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+Na"	20.974666
"855094"	296.994366	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+Na"	20.974666
"1622804"	296.994366	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na-2H"	20.974666
"100064"	293.000763	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H+Cl"	33.962126
"539257"	431.010613	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H+Cl"	33.962126
"936418"	154.990913	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+Cl"	33.962126
"274975"	587.008802	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Cl"	34.969402
"670676"	863.028502	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Cl"	34.969402
"1286359"	310.989102	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl"	34.969402
"24541"	588.988006	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+K"	36.948606
"463007"	865.007706	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+K"	36.948606
"840810"	312.968306	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+K"	36.948606
"1557738"	312.968306	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K-2H"	36.948606
"945622"	321.017894	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+HCOOH"	44.998194
"368212"	597.037601	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+HCOOH-H"	44.998201
"351006"	611.053251	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Hac-H"	59.013851
"1498746"	335.033551	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Hac-H"	59.013851
"968475"	342.999851	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+NaCOOH"	66.980151
"117382"	310.989102	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Cl"	69.938804
"555849"	448.998952	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Cl"	69.938804
"1021481"	172.979252	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Cl"	69.938804
"1250787"	354.938585	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Br"	78.918885
"1314327"	356.994572	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+HCOOH"	80.974872
"1329635"	378.976529	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+NaCOOH"	102.956829
"911583"	389.005286	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+CF3COOH"	112.985586
"1290115"	424.981964	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+CF3COOH"	148.962264
"1369368"	241.007024	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-2H2O"	-35.012676
"1385406"	259.017	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-H2O"	-17.0027
"284361"	553.046676	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H"	1.007276
"676009"	829.066376	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H"	1.007276
"1352030"	277.026976	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H"	1.007276
"126058"	277.026976	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2H"	2.014552
"565939"	415.036826	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2H"	2.014552
"1037902"	139.017126	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H"	2.014552
"205684"	185.020409333333	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H"	3.021828
"649137"	277.026976	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+3H"	3.021828
"1168359"	93.0138426666667	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3H"	3.021828
"425068"	570.073223	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+NH4"	18.033823
"788251"	846.092923	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+NH4"	18.033823
"1682395"	294.053523	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4"	18.033823
"335050"	285.5402495	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+NH4"	19.041099
"732941"	423.5500995	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+NH4"	19.041099
"1491997"	147.5303995	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+NH4"	19.041099
"407274"	575.028618	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na"	22.989218
"768273"	851.048318	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na"	22.989218
"1613456"	299.008918	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na"	22.989218
"324584"	288.017947	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+Na"	23.996494
"718101"	426.027797	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+Na"	23.996494
"1473014"	150.008097	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+Na"	23.996494
"1065168"	100.341156666667	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H+Na"	25.00377
"1270127"	309.053186	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+CH3OH+H"	33.033486
"387606"	591.002558	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+K"	38.963158
"747509"	867.022258	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+K"	38.963158
"1549565"	314.982858	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K"	38.963158
"312205"	296.004917	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+K"	39.970434
"703535"	434.014767	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+K"	39.970434
"1456262"	157.995067	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+K"	39.970434
"243769"	594.073226	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+H"	42.033826
"1218665"	318.053526	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+H"	42.033826
"1201456"	159.530401	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+2H"	43.041102
"189951"	597.01056	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na-H"	44.97116
"629020"	873.03026	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na-H"	44.97116
"1131545"	320.99086	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na-H"	44.97116
"173261"	299.008918	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na"	45.978436
"614773"	437.018768	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na"	45.978436
"1116820"	160.999068	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na"	45.978436
"1399131"	107.668470666667	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+2Na"	46.985712
"1430314"	323.032446	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+HCOOH"	47.012746
"222526"	304.04194	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H2O+2H"	56.04448
"1510224"	337.08449	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+H"	61.06479
"410636"	306.995888	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na+K"	61.952376
"772365"	445.005738	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na+K"	61.952376
"1671982"	168.986038	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+K"	61.952376
"257772"	616.055168	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+Na"	64.015768
"1235585"	340.035468	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+Na"	64.015768
"1722285"	340.058993	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+HCOOH"	64.039293
"1182902"	114.995784666667	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3Na"	68.967654
"1651336"	345.014388	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+HCOOH"	68.994688
"161116"	628.95844	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K-H"	76.91904
"597878"	904.97814	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K-H"	76.91904
"1087010"	352.93874	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K-H"	76.91904
"142610"	314.982858	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K"	77.926316
"581565"	452.992708	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K"	77.926316
"1068538"	176.973008	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K"	77.926316
"1099966"	354.953292	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K+H"	78.933592
"1335629"	355.040907	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+DMSO+H"	79.021207
"1005812"	359.080076	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+H"	83.060376
"1524244"	360.073708	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+Na+H"	84.054008
"990007"	180.043676	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+2H"	84.067652
"1587652"	360.988328	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+HCOOH"	84.968628
"1415500"	391.019838	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+CF3COOH"	115.000138
"1151257"	200.556951	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3ACN+2H"	125.094202
"1701904"	408.046385	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+CF3COOH"	132.026685
"1648127"	413.00178	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+CF3COOH"	136.98208
"1577580"	428.97572	"C07645"	"Aldophosphamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+CF3COOH"	152.95602
"813421"	292.0146	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M"	0
"988780"	272.99621	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H2O-H"	-19.01839
"65354"	193.669124	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-3H"	-3.021828
"506011"	291.007324	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-3H"	-3.021828
"888186"	96.330924	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-3H"	-3.021828
"11138"	291.007324	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H"	-2.014552
"444136"	437.014624	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H"	-2.014552
"819756"	145.000024	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H"	-2.014552
"81202"	583.021924	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-H"	-1.007276
"523678"	875.036524	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-H"	-1.007276
"899293"	291.007324	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H"	-1.007276
"49294"	600.048471	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H+NH4"	16.019271
"493227"	892.063071	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H+NH4"	16.019271
"865684"	308.033871	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H+NH4"	16.019271
"32246"	605.003866	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H+Na"	20.974666
"472416"	897.018466	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H+Na"	20.974666
"849204"	312.989266	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H+Na"	20.974666
"1624009"	312.989266	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na-2H"	20.974666
"97622"	308.995663	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-H+Cl"	33.962126
"538275"	455.002963	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-H+Cl"	33.962126
"934342"	162.988363	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+Cl"	33.962126
"273992"	618.998602	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Cl"	34.969402
"670786"	911.013202	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+Cl"	34.969402
"1286348"	326.984002	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl"	34.969402
"27932"	620.977806	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H+K"	36.948606
"468585"	912.992406	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H+K"	36.948606
"840922"	328.963206	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H+K"	36.948606
"1558943"	328.963206	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K-2H"	36.948606
"945733"	337.012794	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+HCOOH"	44.998194
"368328"	629.027401	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+HCOOH-H"	44.998201
"352211"	643.043051	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Hac-H"	59.013851
"1498856"	351.028451	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Hac-H"	59.013851
"966399"	358.994751	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+NaCOOH"	66.980151
"117493"	326.984002	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2Cl"	69.938804
"552679"	472.991302	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2Cl"	69.938804
"1032414"	180.976702	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2Cl"	69.938804
"1250898"	370.933485	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Br"	78.918885
"1314441"	372.989472	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl+HCOOH"	80.974872
"1330840"	394.971429	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl+NaCOOH"	102.956829
"920806"	405.000186	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+CF3COOH"	112.985586
"1293140"	440.976864	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl+CF3COOH"	148.962264
"1369115"	257.001924	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H-2H2O"	-35.012676
"1388795"	275.0119	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H-H2O"	-17.0027
"292855"	585.036476	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H"	1.007276
"679810"	877.051076	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H"	1.007276
"1355066"	293.021876	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H"	1.007276
"131235"	293.021876	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2H"	2.014552
"567638"	439.029176	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2H"	2.014552
"1043972"	147.014576	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2H"	2.014552
"211876"	195.683676	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+3H"	3.021828
"652530"	293.021876	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+3H"	3.021828
"1169564"	98.345476	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+3H"	3.021828
"424933"	602.063023	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+NH4"	18.033823
"789459"	894.077623	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+NH4"	18.033823
"1693446"	310.048423	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+NH4"	18.033823
"344405"	301.5351495	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H+NH4"	19.041099
"737683"	447.5424495	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H+NH4"	19.041099
"1490890"	155.5278495	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+NH4"	19.041099
"406653"	607.018418	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Na"	22.989218
"766559"	899.033018	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+Na"	22.989218
"1615749"	315.003818	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na"	22.989218
"323599"	304.012847	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H+Na"	23.996494
"719300"	450.020147	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H+Na"	23.996494
"1474464"	158.005547	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+Na"	23.996494
"1063090"	105.67279	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2H+Na"	25.00377
"1269508"	325.048086	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+CH3OH+H"	33.033486
"388811"	622.992358	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+K"	38.963158
"747622"	915.006958	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+K"	38.963158
"1548580"	330.977758	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K"	38.963158
"305757"	311.999817	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H+K"	39.970434
"700366"	458.007117	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H+K"	39.970434
"1452000"	165.992517	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+K"	39.970434
"240599"	626.063026	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+ACN+H"	42.033826
"1217682"	334.048426	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+ACN+H"	42.033826
"1197921"	167.527851	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+ACN+2H"	43.041102
"191884"	629.00036	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2Na-H"	44.97116
"628682"	921.01496	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2Na-H"	44.97116
"1131444"	336.98576	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2Na-H"	44.97116
"173780"	315.003818	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2Na"	45.978436
"613424"	461.011118	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2Na"	45.978436
"1115872"	168.996518	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2Na"	45.978436
"1398831"	113.000104	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+2Na"	46.985712
"1430096"	339.027346	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+HCOOH"	47.012746
"220193"	320.03684	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+3H2O+2H"	56.04448
"1511791"	353.07939	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+IsoProp+H"	61.06479
"409530"	322.990788	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Na+K"	61.952376
"770046"	468.998088	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+Na+K"	61.952376
"1669174"	176.983488	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na+K"	61.952376
"255330"	648.044968	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+ACN+Na"	64.015768
"1228038"	356.030368	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+ACN+Na"	64.015768
"1716561"	356.053893	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+NH4+HCOOH"	64.039293
"1185195"	120.327418	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+3Na"	68.967654
"1652904"	361.009288	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na+HCOOH"	68.994688
"157170"	660.94824	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2K-H"	76.91904
"598231"	952.96284	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2K-H"	76.91904
"1084276"	368.93364	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2K-H"	76.91904
"142716"	330.977758	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2K"	77.926316
"582522"	476.985058	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2K"	77.926316
"1069104"	184.970458	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2K"	77.926316
"1100160"	370.948192	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2K+H"	78.933592
"1335651"	371.035807	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+DMSO+H"	79.021207
"1006621"	375.074976	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2ACN+H"	83.060376
"1524221"	376.068608	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+IsoProp+Na+H"	84.054008
"991195"	188.041126	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2ACN+2H"	84.067652
"1587518"	376.983228	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K+HCOOH"	84.968628
"1414881"	407.014738	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+CF3COOH"	115.000138
"1148453"	208.554401	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+3ACN+2H"	125.094202
"1705297"	424.041285	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+NH4+CF3COOH"	132.026685
"1639854"	428.99668	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na+CF3COOH"	136.98208
"1584252"	444.97062	"C07646"	"Carboxyphosphamide;Carboxycyclophosphamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K+CF3COOH"	152.95602
"816826"	219.9935	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M"	0
"989621"	200.97511	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H2O-H"	-19.01839
"70931"	145.655057333333	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-3H"	-3.021828
"514869"	218.986224	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-3H"	-3.021828
"889390"	72.3238906666667	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-3H"	-3.021828
"13434"	218.986224	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H"	-2.014552
"445339"	328.982974	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H"	-2.014552
"823147"	108.989474	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H"	-2.014552
"85325"	438.979724	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-H"	-1.007276
"523062"	658.973224	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-H"	-1.007276
"900500"	218.986224	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H"	-1.007276
"53781"	456.006271	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H+NH4"	16.019271
"491882"	675.999771	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H+NH4"	16.019271
"867499"	236.012771	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H+NH4"	16.019271
"37220"	460.961666	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H+Na"	20.974666
"474594"	680.955166	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H+Na"	20.974666
"856406"	240.968166	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H+Na"	20.974666
"1629223"	240.968166	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na-2H"	20.974666
"108547"	236.974563	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-H+Cl"	33.962126
"547498"	346.971313	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-H+Cl"	33.962126
"936639"	126.977813	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+Cl"	33.962126
"277382"	474.956402	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Cl"	34.969402
"673813"	694.949902	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+Cl"	34.969402
"1287800"	254.962902	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl"	34.969402
"30111"	476.935606	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H+K"	36.948606
"468695"	696.929106	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H+K"	36.948606
"844312"	256.942106	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H+K"	36.948606
"1559417"	256.942106	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K-2H"	36.948606
"946207"	264.991694	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+HCOOH"	44.998194
"372812"	484.985201	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+HCOOH-H"	44.998201
"354508"	499.000851	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Hac-H"	59.013851
"1501152"	279.007351	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Hac-H"	59.013851
"966509"	286.973651	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+NaCOOH"	66.980151
"121977"	254.962902	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2Cl"	69.938804
"557163"	364.959652	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2Cl"	69.938804
"1031431"	144.966152	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2Cl"	69.938804
"1252102"	298.912385	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Br"	78.918885
"1318923"	300.968372	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl+HCOOH"	80.974872
"1330951"	322.950329	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl+NaCOOH"	102.956829
"918729"	332.979086	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+CF3COOH"	112.985586
"1298717"	368.955764	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl+CF3COOH"	148.962264
"1375785"	184.980824	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H-2H2O"	-35.012676
"1386720"	202.9908	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H-H2O"	-17.0027
"292966"	440.994276	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H"	1.007276
"678826"	660.987776	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H"	1.007276
"1359551"	221.000776	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H"	1.007276
"133533"	221.000776	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2H"	2.014552
"568720"	330.997526	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2H"	2.014552
"1044082"	111.004026	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2H"	2.014552
"213079"	147.669609333333	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+3H"	3.021828
"651547"	221.000776	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+3H"	3.021828
"1168580"	74.3384426666667	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+3H"	3.021828
"424270"	458.020823	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+NH4"	18.033823
"791754"	678.014323	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+NH4"	18.033823
"1693556"	238.027323	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+NH4"	18.033823
"345121"	229.5140495	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H+NH4"	19.041099
"737786"	339.5107995	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H+NH4"	19.041099
"1492093"	119.5172995	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+NH4"	19.041099
"408101"	462.976218	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Na"	22.989218
"768734"	682.969718	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+Na"	22.989218
"1616472"	242.982718	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na"	22.989218
"325896"	231.991747	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H+Na"	23.996494
"720503"	341.988497	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H+Na"	23.996494
"1474691"	121.994997	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+Na"	23.996494
"1063200"	81.6657566666667	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2H+Na"	25.00377
"1267062"	253.026986	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+CH3OH+H"	33.033486
"387824"	478.950158	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+K"	38.963158
"746638"	698.943658	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+K"	38.963158
"1549782"	258.956658	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K"	38.963158
"306957"	239.978717	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H+K"	39.970434
"701568"	349.975467	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H+K"	39.970434
"1447735"	129.981967	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+K"	39.970434
"242898"	482.020826	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+ACN+H"	42.033826
"1216702"	262.027326	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+ACN+H"	42.033826
"1194502"	131.517301	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+ACN+2H"	43.041102
"188562"	484.95816	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2Na-H"	44.97116
"630097"	704.95166	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2Na-H"	44.97116
"1132023"	264.96466	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2Na-H"	44.97116
"173976"	242.982718	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2Na"	45.978436
"613041"	352.979468	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2Na"	45.978436
"1116679"	132.985968	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2Na"	45.978436
"1398506"	88.9930706666667	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+2Na"	46.985712
"1430002"	267.006246	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+HCOOH"	47.012746
"221407"	248.01574	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+3H2O+2H"	56.04448
"1508658"	281.05829	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+IsoProp+H"	61.06479
"408626"	250.969688	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Na+K"	61.952376
"774409"	360.966438	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+Na+K"	61.952376
"1671835"	140.972938	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na+K"	61.952376
"253251"	504.002768	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+ACN+Na"	64.015768
"1233252"	284.009268	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+ACN+Na"	64.015768
"1718129"	284.032793	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+NH4+HCOOH"	64.039293
"1186037"	96.3203846666667	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+3Na"	68.967654
"1655931"	288.988188	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na+HCOOH"	68.994688
"159145"	516.90604	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2K-H"	76.91904
"601989"	736.89954	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2K-H"	76.91904
"1085769"	296.91254	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2K-H"	76.91904
"142342"	258.956658	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2K"	77.926316
"582634"	368.953408	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2K"	77.926316
"1069333"	148.959908	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2K"	77.926316
"1099992"	298.927092	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2K+H"	78.933592
"1337350"	299.014707	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+DMSO+H"	79.021207
"1005805"	303.053876	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2ACN+H"	83.060376
"1524489"	304.047508	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+IsoProp+Na+H"	84.054008
"991550"	152.030576	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2ACN+2H"	84.067652
"1588967"	304.962128	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K+HCOOH"	84.968628
"1414748"	334.993638	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+CF3COOH"	115.000138
"1149656"	172.543851	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+3ACN+2H"	125.094202
"1703218"	352.020185	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+NH4+CF3COOH"	132.026685
"1639964"	356.97558	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na+CF3COOH"	136.98208
"1584362"	372.94952	"C07647"	"Phosphoramide mustard;Phosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K+CF3COOH"	152.95602
"815824"	167.0266	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M"	0
"987172"	148.00821	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-H2O-H"	-19.01839
"72138"	110.343790666667	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M-3H"	-3.021828
"508419"	166.019324	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M-3H"	-3.021828
"884033"	54.6682573333333	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-3H"	-3.021828
"14518"	166.019324	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M-2H"	-2.014552
"448731"	249.532624	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M-2H"	-2.014552
"827628"	82.506024	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-2H"	-2.014552
"86529"	333.045924	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M-H"	-1.007276
"523172"	500.072524	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M-H"	-1.007276
"902066"	166.019324	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-H"	-1.007276
"53525"	350.072471	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M-2H+NH4"	16.019271
"491992"	517.099071	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M-2H+NH4"	16.019271
"866880"	183.045871	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-2H+NH4"	16.019271
"35871"	355.027866	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M-2H+Na"	20.974666
"475798"	522.054466	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M-2H+Na"	20.974666
"857610"	188.001266	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-2H+Na"	20.974666
"1630425"	188.001266	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Na-2H"	20.974666
"109591"	184.007663	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M-H+Cl"	33.962126
"549473"	267.520963	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M-H+Cl"	33.962126
"940029"	100.494363	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-H+Cl"	33.962126
"280530"	369.022602	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+Cl"	34.969402
"674895"	536.049202	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+Cl"	34.969402
"1288109"	201.996002	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Cl"	34.969402
"29245"	371.001806	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M-2H+K"	36.948606
"466618"	538.028406	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M-2H+K"	36.948606
"844422"	203.975206	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-2H+K"	36.948606
"1558433"	203.975206	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+K-2H"	36.948606
"947045"	212.024794	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-H+HCOOH"	44.998194
"371828"	379.051401	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+HCOOH-H"	44.998201
"354618"	393.067051	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+Hac-H"	59.013851
"1502356"	226.040451	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Hac-H"	59.013851
"966617"	234.006751	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-H+NaCOOH"	66.980151
"120993"	201.996002	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+2Cl"	69.938804
"557273"	285.509302	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+2Cl"	69.938804
"1031539"	118.482702	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2Cl"	69.938804
"1251117"	245.945485	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Br"	78.918885
"1315752"	248.001472	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Cl+HCOOH"	80.974872
"1331060"	269.983429	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Cl+NaCOOH"	102.956829
"921026"	280.012186	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M-H+CF3COOH"	112.985586
"1299921"	315.988864	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Cl+CF3COOH"	148.962264
"1379175"	132.013924	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H-2H2O"	-35.012676
"1386832"	150.0239	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H-H2O"	-17.0027
"293077"	335.060476	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+H"	1.007276
"680031"	502.087076	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+H"	1.007276
"1362941"	168.033876	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H"	1.007276
"132549"	168.033876	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+2H"	2.014552
"568830"	251.547176	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+2H"	2.014552
"1044192"	84.520576	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2H"	2.014552
"214283"	112.358342666667	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+3H"	3.021828
"651660"	168.033876	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+3H"	3.021828
"1171971"	56.6828093333333	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+3H"	3.021828
"426495"	352.087023	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+NH4"	18.033823
"790774"	519.113623	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+NH4"	18.033823
"1684918"	185.060423	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+NH4"	18.033823
"344863"	176.5471495	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+H+NH4"	19.041099
"738367"	260.0604495	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+H+NH4"	19.041099
"1491845"	93.0338495	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H+NH4"	19.041099
"405780"	357.042418	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+Na"	22.989218
"768601"	524.069018	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+Na"	22.989218
"1616336"	190.015818	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Na"	22.989218
"326007"	179.024847	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+H+Na"	23.996494
"720254"	262.538147	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+H+Na"	23.996494
"1476258"	95.511547	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H+Na"	23.996494
"1065496"	64.0101233333333	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2H+Na"	25.00377
"1269359"	200.060086	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+CH3OH+H"	33.033486
"389028"	373.016358	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+K"	38.963158
"747841"	540.042958	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+K"	38.963158
"1549893"	205.989758	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+K"	38.963158
"304882"	187.011817	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+H+K"	39.970434
"698398"	270.525117	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+H+K"	39.970434
"1448939"	103.498517	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H+K"	39.970434
"239727"	376.087026	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+ACN+H"	42.033826
"1215717"	209.060426	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+ACN+H"	42.033826
"1195223"	105.033851	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+ACN+2H"	43.041102
"189299"	379.02436	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+2Na-H"	44.97116
"629843"	546.05096	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+2Na-H"	44.97116
"1133713"	211.99776	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2Na-H"	44.97116
"176276"	190.015818	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+2Na"	45.978436
"614009"	273.529118	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+2Na"	45.978436
"1116787"	106.502518	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2Na"	45.978436
"1400681"	71.3374373333333	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H+2Na"	46.985712
"1430351"	214.039346	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H+HCOOH"	47.012746
"222487"	195.04884	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+3H2O+2H"	56.04448
"1509459"	228.09139	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+IsoProp+H"	61.06479
"409507"	198.002788	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+Na+K"	61.952376
"773792"	281.516088	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+Na+K"	61.952376
"1666476"	114.489488	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Na+K"	61.952376
"252997"	398.068968	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+ACN+Na"	64.015768
"1232268"	231.042368	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+ACN+Na"	64.015768
"1719336"	231.065893	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+NH4+HCOOH"	64.039293
"1182137"	78.6647513333333	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+3Na"	68.967654
"1655678"	236.021288	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Na+HCOOH"	68.994688
"158891"	410.97224	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+2K-H"	76.91904
"597265"	577.99884	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+2K-H"	76.91904
"1084337"	243.94564	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2K-H"	76.91904
"142454"	205.989758	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"2M+2K"	77.926316
"581648"	289.503058	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"3M+2K"	77.926316
"1068555"	122.476458	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2K"	77.926316
"1100112"	245.960192	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2K+H"	78.933592
"1335987"	246.047807	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+DMSO+H"	79.021207
"1005976"	250.086976	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2ACN+H"	83.060376
"1524240"	251.080608	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+IsoProp+Na+H"	84.054008
"989931"	125.547126	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+2ACN+2H"	84.067652
"1591267"	251.995228	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+K+HCOOH"	84.968628
"1414859"	282.026738	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+H+CF3COOH"	115.000138
"1147577"	146.060401	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+3ACN+2H"	125.094202
"1700046"	299.053285	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+NH4+CF3COOH"	132.026685
"1646633"	304.00868	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+Na+CF3COOH"	136.98208
"1577910"	319.98262	"C07648"	"Thioguanine"	"C5H5N5S"	"167.0266"	"M+K+CF3COOH"	152.95602
"814840"	130.0179	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M"	0
"987282"	110.99951	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-H2O-H"	-19.01839
"67872"	85.671324	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M-3H"	-3.021828
"508529"	129.010624	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M-3H"	-3.021828
"883049"	42.332024	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-3H"	-3.021828
"13655"	129.010624	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M-2H"	-2.014552
"448841"	194.019574	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M-2H"	-2.014552
"829923"	64.001674	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-2H"	-2.014552
"89918"	259.028524	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M-H"	-1.007276
"528386"	389.046424	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M-H"	-1.007276
"902905"	129.010624	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-H"	-1.007276
"54364"	276.055071	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M-2H+NH4"	16.019271
"493563"	406.072971	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M-2H+NH4"	16.019271
"871364"	146.037171	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-2H+NH4"	16.019271
"35619"	281.010466	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M-2H+Na"	20.974666
"476273"	411.028366	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M-2H+Na"	20.974666
"857721"	150.992566	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-2H+Na"	20.974666
"1633941"	150.992566	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Na-2H"	20.974666
"109972"	146.998963	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M-H+Cl"	33.962126
"549883"	212.007913	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M-H+Cl"	33.962126
"941111"	81.990013	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-H+Cl"	33.962126
"280882"	295.005202	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+Cl"	34.969402
"675005"	425.023102	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+Cl"	34.969402
"1287408"	164.987302	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Cl"	34.969402
"30897"	296.984406	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M-2H+K"	36.948606
"471379"	427.002306	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M-2H+K"	36.948606
"837970"	166.966506	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-2H+K"	36.948606
"1559272"	166.966506	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+K-2H"	36.948606
"946063"	175.016094	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-H+HCOOH"	44.998194
"371938"	305.034001	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+HCOOH-H"	44.998201
"353634"	319.049651	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+Hac-H"	59.013851
"1501372"	189.031751	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Hac-H"	59.013851
"966726"	196.998051	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-H+NaCOOH"	66.980151
"117821"	164.987302	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+2Cl"	69.938804
"561393"	229.996252	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+2Cl"	69.938804
"1027275"	99.978352	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2Cl"	69.938804
"1245760"	208.936785	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Br"	78.918885
"1310395"	210.992772	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Cl+HCOOH"	80.974872
"1331899"	232.974729	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Cl+NaCOOH"	102.956829
"915670"	243.003486	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M-H+CF3COOH"	112.985586
"1293471"	278.980164	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Cl+CF3COOH"	148.962264
"1370538"	95.005224	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H-2H2O"	-35.012676
"1385849"	113.0152	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H-H2O"	-17.0027
"289907"	261.043076	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+H"	1.007276
"680141"	391.060976	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+H"	1.007276
"1360864"	131.025176	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H"	1.007276
"132658"	131.025176	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+2H"	2.014552
"569304"	196.034126	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+2H"	2.014552
"1046489"	66.016226	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2H"	2.014552
"214393"	87.685876	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+3H"	3.021828
"652862"	131.025176	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+3H"	3.021828
"1169894"	44.346576	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+3H"	3.021828
"427698"	278.069623	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+NH4"	18.033823
"793070"	408.087523	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+NH4"	18.033823
"1687214"	148.051723	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+NH4"	18.033823
"343879"	139.5384495	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+H+NH4"	19.041099
"738123"	204.5473995	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+H+NH4"	19.041099
"1486114"	74.5294995	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H+NH4"	19.041099
"399328"	283.025018	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+Na"	22.989218
"759229"	413.042918	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+Na"	22.989218
"1610609"	153.007118	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Na"	22.989218
"325023"	142.016147	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+H+Na"	23.996494
"718537"	207.025097	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+H+Na"	23.996494
"1470172"	77.007197	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H+Na"	23.996494
"1065241"	51.67389	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2H+Na"	25.00377
"1272021"	163.051386	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+CH3OH+H"	33.033486
"388044"	298.998958	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+K"	38.963158
"749409"	429.016858	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+K"	38.963158
"1548908"	168.981058	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+K"	38.963158
"308272"	150.003117	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+H+K"	39.970434
"699602"	215.012067	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+H+K"	39.970434
"1449778"	84.994167	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H+K"	39.970434
"238745"	302.069626	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+ACN+H"	42.033826
"1219109"	172.051726	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+ACN+H"	42.033826
"1195453"	86.529501	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+ACN+2H"	43.041102
"190029"	305.00696	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+2Na-H"	44.97116
"630319"	435.02486	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+2Na-H"	44.97116
"1133095"	174.98906	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2Na-H"	44.97116
"174930"	153.007118	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+2Na"	45.978436
"613869"	218.016068	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+2Na"	45.978436
"1116648"	87.998168	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2Na"	45.978436
"1399446"	59.001204	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H+2Na"	46.985712
"1430228"	177.030646	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H+HCOOH"	47.012746
"220773"	158.04014	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+3H2O+2H"	56.04448
"1509443"	191.08269	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+IsoProp+H"	61.06479
"409249"	160.994088	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+Na+K"	61.952376
"774265"	226.003038	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+Na+K"	61.952376
"1667315"	95.985138	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Na+K"	61.952376
"252743"	324.051568	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+ACN+Na"	64.015768
"1231285"	194.033668	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+ACN+Na"	64.015768
"1713605"	194.057193	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+NH4+HCOOH"	64.039293
"1179006"	66.328518	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+3Na"	68.967654
"1656881"	199.012588	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Na+HCOOH"	68.994688
"159368"	336.95484	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+2K-H"	76.91904
"597830"	466.97274	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+2K-H"	76.91904
"1085016"	206.93694	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2K-H"	76.91904
"142929"	168.981058	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"2M+2K"	77.926316
"582122"	233.990008	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"3M+2K"	77.926316
"1069307"	103.972108	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2K"	77.926316
"1100206"	208.951492	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2K+H"	78.933592
"1335900"	209.039107	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+DMSO+H"	79.021207
"1006094"	213.078276	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2ACN+H"	83.060376
"1524700"	214.071908	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+IsoProp+Na+H"	84.054008
"990301"	107.042776	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+2ACN+2H"	84.067652
"1589191"	214.986528	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+K+HCOOH"	84.968628
"1414603"	245.018038	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+H+CF3COOH"	115.000138
"1147561"	127.556051	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+3ACN+2H"	125.094202
"1699063"	262.044585	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+NH4+CF3COOH"	132.026685
"1639088"	266.99998	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+Na+CF3COOH"	136.98208
"1578020"	282.97392	"C07649"	"5-FU;Fluorouracil;5-Fluorouracil"	"C4H3FN2O2"	"130.0179"	"M+K+CF3COOH"	152.95602
"816977"	263.0718	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M"	0
"987392"	244.05341	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-H2O-H"	-19.01839
"67982"	174.373924	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M-3H"	-3.021828
"506451"	262.064524	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M-3H"	-3.021828
"884252"	86.683324	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-3H"	-3.021828
"9390"	262.064524	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M-2H"	-2.014552
"447858"	393.600424	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M-2H"	-2.014552
"826753"	130.528624	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-2H"	-2.014552
"85655"	525.136324	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M-H"	-1.007276
"523392"	788.208124	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M-H"	-1.007276
"900828"	262.064524	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-H"	-1.007276
"53745"	542.162871	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M-2H+NH4"	16.019271
"490025"	805.234671	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M-2H+NH4"	16.019271
"869650"	279.091071	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-2H+NH4"	16.019271
"35364"	547.118266	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M-2H+Na"	20.974666
"476018"	810.190066	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M-2H+Na"	20.974666
"856737"	284.046466	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-2H+Na"	20.974666
"1630645"	284.046466	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Na-2H"	20.974666
"107175"	280.052863	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M-H+Cl"	33.962126
"548922"	411.588763	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M-H+Cl"	33.962126
"941221"	148.516963	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-H+Cl"	33.962126
"278805"	561.113002	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+Cl"	34.969402
"669039"	824.184802	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+Cl"	34.969402
"1285816"	298.041202	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Cl"	34.969402
"26186"	563.092206	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M-2H+K"	36.948606
"462468"	826.164006	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M-2H+K"	36.948606
"835164"	300.020406	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-2H+K"	36.948606
"1558654"	300.020406	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+K-2H"	36.948606
"946171"	308.069994	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-H+HCOOH"	44.998194
"373141"	571.141801	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+HCOOH-H"	44.998201
"357026"	585.157451	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+Hac-H"	59.013851
"1503668"	322.085651	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Hac-H"	59.013851
"970847"	330.051951	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-H+NaCOOH"	66.980151
"123399"	298.041202	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+2Cl"	69.938804
"562960"	429.577102	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+2Cl"	69.938804
"1027385"	166.505302	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2Cl"	69.938804
"1246963"	341.990685	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Br"	78.918885
"1313785"	344.046672	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Cl+HCOOH"	80.974872
"1333466"	366.028629	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Cl+NaCOOH"	102.956829
"915780"	376.057386	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M-H+CF3COOH"	112.985586
"1293581"	412.034064	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Cl+CF3COOH"	148.962264
"1381583"	228.059124	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H-2H2O"	-35.012676
"1389239"	246.0691	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H-H2O"	-17.0027
"290017"	527.150876	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+H"	1.007276
"682438"	790.222676	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+H"	1.007276
"1363161"	264.079076	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H"	1.007276
"132768"	264.079076	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+2H"	2.014552
"567956"	395.614976	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+2H"	2.014552
"1048787"	132.543176	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2H"	2.014552
"214503"	176.388476	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+3H"	3.021828
"657347"	264.079076	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+3H"	3.021828
"1173285"	88.697876	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+3H"	3.021828
"428172"	544.177423	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+NH4"	18.033823
"792085"	807.249223	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+NH4"	18.033823
"1689511"	281.105623	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+NH4"	18.033823
"343261"	272.5923495	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+H+NH4"	19.041099
"732399"	404.1282495	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+H+NH4"	19.041099
"1488410"	141.0564495	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H+NH4"	19.041099
"405993"	549.132818	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+Na"	22.989218
"756061"	812.204618	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+Na"	22.989218
"1607439"	286.061018	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Na"	22.989218
"326225"	275.070047	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+H+Na"	23.996494
"721928"	406.605947	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+H+Na"	23.996494
"1472838"	143.534147	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H+Na"	23.996494
"1061347"	96.02519	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2H+Na"	25.00377
"1266300"	296.105286	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+CH3OH+H"	33.033486
"388157"	565.106758	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+K"	38.963158
"746967"	828.178558	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+K"	38.963158
"1547925"	302.034958	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+K"	38.963158
"304736"	283.057017	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+H+K"	39.970434
"696065"	414.592917	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+H+K"	39.970434
"1450252"	151.521117	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H+K"	39.970434
"237031"	568.177426	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+ACN+H"	42.033826
"1218125"	305.105626	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+ACN+H"	42.033826
"1195078"	153.056451	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+ACN+2H"	43.041102
"189042"	571.11476	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+2Na-H"	44.97116
"629700"	834.18656	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+2Na-H"	44.97116
"1133938"	308.04296	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2Na-H"	44.97116
"176134"	286.061018	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+2Na"	45.978436
"612972"	417.596918	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+2Na"	45.978436
"1117496"	154.525118	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2Na"	45.978436
"1399921"	103.352504	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H+2Na"	46.985712
"1430824"	310.084546	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H+HCOOH"	47.012746
"222709"	291.09404	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+3H2O+2H"	56.04448
"1508946"	324.13659	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+IsoProp+H"	61.06479
"408872"	294.047988	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+Na+K"	61.952376
"772188"	425.583888	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+Na+K"	61.952376
"1670341"	162.512088	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Na+K"	61.952376
"253581"	590.159368	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+ACN+Na"	64.015768
"1229934"	327.087568	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+ACN+Na"	64.015768
"1714449"	327.111093	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+NH4+HCOOH"	64.039293
"1181628"	110.679818	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+3Na"	68.967654
"1650912"	332.066488	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Na+HCOOH"	68.994688
"159844"	603.06264	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+2K-H"	76.91904
"600134"	866.13444	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+2K-H"	76.91904
"1085244"	339.99084	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2K-H"	76.91904
"142061"	302.034958	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"2M+2K"	77.926316
"581785"	433.570858	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"3M+2K"	77.926316
"1068924"	170.499058	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2K"	77.926316
"1100189"	342.005392	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2K+H"	78.933592
"1337437"	342.093007	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+DMSO+H"	79.021207
"1008034"	346.132176	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2ACN+H"	83.060376
"1524483"	347.125808	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+IsoProp+Na+H"	84.054008
"990246"	173.569726	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+2ACN+2H"	84.067652
"1588202"	348.040428	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+K+HCOOH"	84.968628
"1417147"	378.071938	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+H+CF3COOH"	115.000138
"1147435"	194.083001	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+3ACN+2H"	125.094202
"1700269"	395.098485	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+NH4+CF3COOH"	132.026685
"1641387"	400.05388	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+Na+CF3COOH"	136.98208
"1584692"	416.02782	"C07650"	"Gemcitabine"	"C9H11F2N3O4"	"263.0718"	"M+K+CF3COOH"	152.95602
"816033"	134.0878	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M"	0
"987502"	115.06941	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-H2O-H"	-19.01839
"68095"	88.3845906666667	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M-3H"	-3.021828
"504374"	133.080524	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M-3H"	-3.021828
"881082"	43.6886573333333	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-3H"	-3.021828
"2937"	133.080524	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M-2H"	-2.014552
"450157"	200.124424	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M-2H"	-2.014552
"823586"	66.036624	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-2H"	-2.014552
"82483"	267.168324	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M-H"	-1.007276
"526417"	401.256124	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M-H"	-1.007276
"899117"	133.080524	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-H"	-1.007276
"49482"	284.194871	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M-2H+NH4"	16.019271
"489771"	418.282671	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M-2H+NH4"	16.019271
"872677"	150.107071	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-2H+NH4"	16.019271
"33653"	289.150266	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M-2H+Na"	20.974666
"474306"	423.238066	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M-2H+Na"	20.974666
"860859"	155.062466	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-2H+Na"	20.974666
"1630754"	155.062466	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Na-2H"	20.974666
"105097"	151.068863	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M-H+Cl"	33.962126
"542473"	218.112763	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M-H+Cl"	33.962126
"938174"	84.024963	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-H+Cl"	33.962126
"280011"	303.145002	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+Cl"	34.969402
"671339"	437.232802	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+Cl"	34.969402
"1282647"	169.057202	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Cl"	34.969402
"25204"	305.124206	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M-2H+K"	36.948606
"460392"	439.212006	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M-2H+K"	36.948606
"833209"	171.036406	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-2H+K"	36.948606
"1556212"	171.036406	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+K-2H"	36.948606
"946283"	179.085994	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-H+HCOOH"	44.998194
"373251"	313.173801	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+HCOOH-H"	44.998201
"358228"	327.189451	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+Hac-H"	59.013851
"1498312"	193.101651	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Hac-H"	59.013851
"968041"	201.067951	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-H+NaCOOH"	66.980151
"119135"	169.057202	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+2Cl"	69.938804
"560883"	236.101102	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+2Cl"	69.938804
"1031870"	102.013302	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2Cl"	69.938804
"1251448"	213.006685	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Br"	78.918885
"1313896"	215.062672	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Cl+HCOOH"	80.974872
"1329205"	237.044629	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Cl+NaCOOH"	102.956829
"925730"	247.073386	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M-H+CF3COOH"	112.985586
"1296971"	283.050064	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Cl+CF3COOH"	148.962264
"1376226"	99.075124	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H-2H2O"	-35.012676
"1389350"	117.0851	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H-H2O"	-17.0027
"290128"	269.182876	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+H"	1.007276
"679268"	403.270676	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+H"	1.007276
"1363271"	135.095076	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H"	1.007276
"132880"	135.095076	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+2H"	2.014552
"568067"	202.138976	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+2H"	2.014552
"1044523"	68.051176	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2H"	2.014552
"216800"	90.3991426666667	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+3H"	3.021828
"655271"	135.095076	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+3H"	3.021828
"1172302"	45.7032093333333	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+3H"	3.021828
"427920"	286.209423	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+NH4"	18.033823
"787821"	420.297223	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+NH4"	18.033823
"1686341"	152.121623	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+NH4"	18.033823
"341184"	143.6083495	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+H+NH4"	19.041099
"735791"	210.6522495	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+H+NH4"	19.041099
"1483055"	76.5644495	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H+NH4"	19.041099
"400636"	291.164818	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+Na"	22.989218
"757264"	425.252618	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+Na"	22.989218
"1611925"	157.077018	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Na"	22.989218
"318681"	146.086047	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+H+Na"	23.996494
"719854"	213.129947	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+H+Na"	23.996494
"1472949"	79.042147	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H+Na"	23.996494
"1065101"	53.0305233333333	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2H+Na"	25.00377
"1267871"	167.121286	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+CH3OH+H"	33.033486
"386079"	307.138758	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+K"	38.963158
"747806"	441.226558	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+K"	38.963158
"1545849"	173.050958	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+K"	38.963158
"307400"	154.073017	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+H+K"	39.970434
"697634"	221.116917	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+H+K"	39.970434
"1446717"	87.029117	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H+K"	39.970434
"235842"	310.209426	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+ACN+H"	42.033826
"1218236"	176.121626	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+ACN+H"	42.033826
"1195555"	88.564451	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+ACN+2H"	43.041102
"189886"	313.14676	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+2Na-H"	44.97116
"628521"	447.23456	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+2Na-H"	44.97116
"1133318"	179.05896	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2Na-H"	44.97116
"175881"	157.077018	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+2Na"	45.978436
"613247"	224.120918	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+2Na"	45.978436
"1118945"	90.033118	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2Na"	45.978436
"1400281"	60.3578373333333	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H+2Na"	46.985712
"1431670"	181.100546	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H+HCOOH"	47.012746
"220268"	162.11004	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+3H2O+2H"	56.04448
"1509425"	195.15259	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+IsoProp+H"	61.06479
"409104"	165.063988	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+Na+K"	61.952376
"770474"	232.107888	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+Na+K"	61.952376
"1665707"	98.020088	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Na+K"	61.952376
"251626"	332.191368	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+ACN+Na"	64.015768
"1226765"	198.103568	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+ACN+Na"	64.015768
"1713830"	198.127093	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+NH4+HCOOH"	64.039293
"1181738"	67.6851513333333	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+3Na"	68.967654
"1651387"	203.082488	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Na+HCOOH"	68.994688
"159464"	345.09464	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+2K-H"	76.91904
"603524"	479.18244	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+2K-H"	76.91904
"1084751"	211.00684	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2K-H"	76.91904
"141605"	173.050958	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"2M+2K"	77.926316
"581857"	240.094858	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"3M+2K"	77.926316
"1068709"	106.007058	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2K"	77.926316
"1099955"	213.021392	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2K+H"	78.933592
"1335829"	213.109007	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+DMSO+H"	79.021207
"1006806"	217.148176	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2ACN+H"	83.060376
"1524166"	218.141808	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+IsoProp+Na+H"	84.054008
"989934"	109.077726	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+2ACN+2H"	84.067652
"1587458"	219.056428	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+K+HCOOH"	84.968628
"1416891"	249.087938	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+H+CF3COOH"	115.000138
"1150096"	129.591001	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+3ACN+2H"	125.094202
"1700379"	266.114485	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+NH4+CF3COOH"	132.026685
"1638218"	271.06988	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+Na+CF3COOH"	136.98208
"1584802"	287.04382	"C07651"	"WR 1065;2-(3-Aminopropyl)aminoethanethiol"	"C5H14N2S"	"134.0878"	"M+K+CF3COOH"	152.95602
"816511"	429.2668	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M"	0
"987609"	410.24841	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-H2O-H"	-19.01839
"70391"	285.170590666667	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M-3H"	-3.021828
"504484"	428.259524	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M-3H"	-3.021828
"882286"	142.081657333333	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-3H"	-3.021828
"5236"	428.259524	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M-2H"	-2.014552
"450267"	642.892924	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M-2H"	-2.014552
"824788"	213.626124	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-2H"	-2.014552
"84780"	857.526324	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M-H"	-1.007276
"524339"	1286.793124	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M-H"	-1.007276
"904331"	428.259524	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-H"	-1.007276
"51415"	874.552871	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M-2H+NH4"	16.019271
"491340"	1303.819671	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M-2H+NH4"	16.019271
"872787"	445.286071	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-2H+NH4"	16.019271
"34491"	879.508266	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M-2H+Na"	20.974666
"479155"	1308.775066	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M-2H+Na"	20.974666
"859875"	450.241466	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-2H+Na"	20.974666
"1626490"	450.241466	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Na-2H"	20.974666
"105936"	446.247863	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M-H+Cl"	33.962126
"546956"	660.881263	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M-H+Cl"	33.962126
"937188"	231.614463	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-H+Cl"	33.962126
"280119"	893.503002	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+Cl"	34.969402
"671449"	1322.769802	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+Cl"	34.969402
"1283851"	464.236202	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Cl"	34.969402
"26408"	895.482206	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M-2H+K"	36.948606
"460502"	1324.749006	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M-2H+K"	36.948606
"835023"	466.215406	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-2H+K"	36.948606
"1558511"	466.215406	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+K-2H"	36.948606
"951861"	474.264994	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-H+HCOOH"	44.998194
"374820"	903.531801	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+HCOOH-H"	44.998201
"359797"	917.547451	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+Hac-H"	59.013851
"1500609"	488.280651	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Hac-H"	59.013851
"971797"	496.246951	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-H+NaCOOH"	66.980151
"124714"	464.236202	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+2Cl"	69.938804
"563182"	678.869602	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+2Cl"	69.938804
"1033073"	249.602802	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2Cl"	69.938804
"1256540"	508.185685	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Br"	78.918885
"1319763"	510.241672	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Cl+HCOOH"	80.974872
"1333691"	532.223629	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Cl+NaCOOH"	102.956829
"922561"	542.252386	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M-H+CF3COOH"	112.985586
"1300362"	578.229064	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Cl+CF3COOH"	148.962264
"1378526"	394.254124	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H-2H2O"	-35.012676
"1392741"	412.2641	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H-H2O"	-17.0027
"289146"	859.540876	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+H"	1.007276
"681568"	1288.807676	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+H"	1.007276
"1355729"	430.274076	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H"	1.007276
"136272"	430.274076	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+2H"	2.014552
"575834"	644.907476	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+2H"	2.014552
"1044636"	215.640676	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2H"	2.014552
"218735"	287.185142666667	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+3H"	3.021828
"657935"	430.274076	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+3H"	3.021828
"1173507"	144.096209333333	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+3H"	3.021828
"431314"	876.567423	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+NH4"	18.033823
"795589"	1305.834223	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+NH4"	18.033823
"1692650"	447.300623	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+NH4"	18.033823
"343481"	438.7873495	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+H+NH4"	19.041099
"736996"	653.4207495	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+H+NH4"	19.041099
"1485350"	224.1539495	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H+NH4"	19.041099
"404033"	881.522818	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+Na"	22.989218
"763937"	1310.789618	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+Na"	22.989218
"1613130"	452.256018	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Na"	22.989218
"325353"	441.265047	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+H+Na"	23.996494
"718873"	655.898447	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+H+Na"	23.996494
"1471599"	226.631647	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H+Na"	23.996494
"1064116"	151.423523333333	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2H+Na"	25.00377
"1264339"	462.300286	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+CH3OH+H"	33.033486
"386191"	897.496758	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+K"	38.963158
"748282"	1326.763558	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+K"	38.963158
"1549241"	468.229958	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+K"	38.963158
"309697"	449.252017	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+H+K"	39.970434
"698839"	663.885417	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+H+K"	39.970434
"1450109"	234.618617	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H+K"	39.970434
"238711"	900.567426	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+ACN+H"	42.033826
"1218346"	471.300626	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+ACN+H"	42.033826
"1197853"	236.153951	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+ACN+2H"	43.041102
"192912"	903.50476	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+2Na-H"	44.97116
"631380"	1332.77156	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+2Na-H"	44.97116
"1135618"	474.23796	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2Na-H"	44.97116
"177086"	452.256018	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+2Na"	45.978436
"613362"	666.889418	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+2Na"	45.978436
"1117230"	237.622618	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2Na"	45.978436
"1401122"	158.750837333333	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H+2Na"	46.985712
"1431410"	476.279546	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H+HCOOH"	47.012746
"221107"	457.28904	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+3H2O+2H"	56.04448
"1510265"	490.33159	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+IsoProp+H"	61.06479
"409221"	460.242988	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+Na+K"	61.952376
"770455"	674.876388	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+Na+K"	61.952376
"1665978"	245.609588	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Na+K"	61.952376
"252582"	922.549368	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+ACN+Na"	64.015768
"1225978"	493.282568	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+ACN+Na"	64.015768
"1713205"	493.306093	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+NH4+HCOOH"	64.039293
"1178517"	166.078151333333	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+3Na"	68.967654
"1650003"	498.261488	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Na+HCOOH"	68.994688
"157295"	935.45264	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+2K-H"	76.91904
"597182"	1364.71944	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+2K-H"	76.91904
"1084452"	506.18584	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2K-H"	76.91904
"141710"	468.229958	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"2M+2K"	77.926316
"581513"	682.863358	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"3M+2K"	77.926316
"1068694"	253.596558	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2K"	77.926316
"1100081"	508.200392	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2K+H"	78.933592
"1335738"	508.288007	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+DMSO+H"	79.021207
"1006181"	512.327176	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2ACN+H"	83.060376
"1524293"	513.320808	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+IsoProp+Na+H"	84.054008
"989932"	256.667226	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+2ACN+2H"	84.067652
"1587687"	514.235428	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+K+HCOOH"	84.968628
"1415299"	544.266938	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+H+CF3COOH"	115.000138
"1148746"	277.180501	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+3ACN+2H"	125.094202
"1698664"	561.293485	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+NH4+CF3COOH"	132.026685
"1641607"	566.24888	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+Na+CF3COOH"	136.98208
"1584912"	582.22282	"C07652"	"Mifepristone;RU-486"	"C29H35NO2"	"429.2668"	"M+K+CF3COOH"	152.95602
"815281"	276.0722	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M"	0
"986626"	257.05381	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-H2O-H"	-19.01839
"71593"	183.040857333333	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M-3H"	-3.021828
"507875"	275.064924	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M-3H"	-3.021828
"883490"	91.0167906666667	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-3H"	-3.021828
"5345"	275.064924	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M-2H"	-2.014552
"447095"	413.101024	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M-2H"	-2.014552
"824900"	137.028824	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-2H"	-2.014552
"83067"	551.137124	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M-H"	-1.007276
"523720"	827.209324	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M-H"	-1.007276
"900431"	275.064924	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-H"	-1.007276
"50067"	568.163671	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M-2H+NH4"	16.019271
"490357"	844.235871	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M-2H+NH4"	16.019271
"875083"	292.091471	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-2H+NH4"	16.019271
"38975"	573.119066	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M-2H+Na"	20.974666
"476349"	849.191266	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M-2H+Na"	20.974666
"857069"	297.046866	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-2H+Na"	20.974666
"1627693"	297.046866	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Na-2H"	20.974666
"105317"	293.053263	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M-H+Cl"	33.962126
"545973"	431.089363	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M-H+Cl"	33.962126
"937298"	155.017163	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-H+Cl"	33.962126
"278042"	587.113802	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+Cl"	34.969402
"669372"	863.186002	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+Cl"	34.969402
"1280680"	311.041602	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Cl"	34.969402
"19956"	589.093006	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M-2H+K"	36.948606
"457331"	865.165206	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M-2H+K"	36.948606
"835133"	313.020806	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-2H+K"	36.948606
"1561902"	313.020806	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+K-2H"	36.948606
"948692"	321.070394	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-H+HCOOH"	44.998194
"375659"	597.142601	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+HCOOH-H"	44.998201
"359546"	611.158251	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+Hac-H"	59.013851
"1505458"	335.086051	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Hac-H"	59.013851
"971179"	343.052351	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-H+NaCOOH"	66.980151
"122273"	311.041602	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+2Cl"	69.938804
"564267"	449.077702	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+2Cl"	69.938804
"1035740"	173.005502	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2Cl"	69.938804
"1256290"	354.991085	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Br"	78.918885
"1318492"	357.047072	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Cl+HCOOH"	80.974872
"1330520"	379.029029	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Cl+NaCOOH"	102.956829
"925224"	389.057786	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M-H+CF3COOH"	112.985586
"1300472"	425.034464	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Cl+CF3COOH"	148.962264
"1381915"	241.059524	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H-2H2O"	-35.012676
"1392850"	259.0695	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H-H2O"	-17.0027
"290349"	553.151676	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+H"	1.007276
"684958"	829.223876	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+H"	1.007276
"1356932"	277.079476	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H"	1.007276
"136382"	277.079476	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+2H"	2.014552
"579224"	415.115576	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+2H"	2.014552
"1046932"	139.043376	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2H"	2.014552
"217753"	185.055409333333	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+3H"	3.021828
"657319"	277.079476	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+3H"	3.021828
"1176897"	93.0313426666667	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+3H"	3.021828
"430326"	570.178223	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+NH4"	18.033823
"796792"	846.250423	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+NH4"	18.033823
"1693124"	294.106023	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+NH4"	18.033823
"338122"	285.5927495	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+H+NH4"	19.041099
"736011"	423.6288495	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+H+NH4"	19.041099
"1482180"	147.5566495	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H+NH4"	19.041099
"405237"	575.133618	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+Na"	22.989218
"761858"	851.205818	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+Na"	22.989218
"1608864"	299.061418	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Na"	22.989218
"322183"	288.070447	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+H+Na"	23.996494
"717885"	426.106547	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+H+Na"	23.996494
"1470615"	150.034347	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H+Na"	23.996494
"1060582"	100.358656666667	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2H+Na"	25.00377
"1266634"	309.105686	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+CH3OH+H"	33.033486
"386299"	591.107558	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+K"	38.963158
"747300"	867.179758	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+K"	38.963158
"1549351"	315.035358	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+K"	38.963158
"306892"	296.057417	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+H+K"	39.970434
"702228"	434.093517	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+H+K"	39.970434
"1448395"	158.021317	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H+K"	39.970434
"238092"	594.178226	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+ACN+H"	42.033826
"1218456"	318.106026	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+ACN+H"	42.033826
"1196505"	159.556651	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+ACN+2H"	43.041102
"191929"	597.11556	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+2Na-H"	44.97116
"629423"	873.18776	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+2Na-H"	44.97116
"1132810"	321.04336	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2Na-H"	44.97116
"174279"	299.061418	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+2Na"	45.978436
"613712"	437.097518	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+2Na"	45.978436
"1117337"	161.025318	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2Na"	45.978436
"1401225"	107.685970666667	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H+2Na"	46.985712
"1431885"	323.084946	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H+HCOOH"	47.012746
"221578"	304.09444	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+3H2O+2H"	56.04448
"1509645"	337.13699	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+IsoProp+H"	61.06479
"410787"	307.048388	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+Na+K"	61.952376
"770691"	445.084488	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+Na+K"	61.952376
"1667023"	169.012288	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Na+K"	61.952376
"252085"	616.160168	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+ACN+Na"	64.015768
"1226497"	340.087968	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+ACN+Na"	64.015768
"1713076"	340.111493	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+NH4+HCOOH"	64.039293
"1179282"	115.013284666667	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+3Na"	68.967654
"1650218"	345.066888	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Na+HCOOH"	68.994688
"157326"	629.06344	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+2K-H"	76.91904
"597660"	905.13564	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+2K-H"	76.91904
"1084681"	352.99124	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2K-H"	76.91904
"141657"	315.035358	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"2M+2K"	77.926316
"581783"	453.071458	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"3M+2K"	77.926316
"1069858"	176.999258	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2K"	77.926316
"1100434"	355.005792	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2K+H"	78.933592
"1336186"	355.093407	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+DMSO+H"	79.021207
"1008363"	359.132576	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2ACN+H"	83.060376
"1525027"	360.126208	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+IsoProp+Na+H"	84.054008
"991965"	180.069926	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+2ACN+2H"	84.067652
"1589628"	361.040828	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+K+HCOOH"	84.968628
"1417475"	391.072338	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+H+CF3COOH"	115.000138
"1147885"	200.583201	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+3ACN+2H"	125.094202
"1700597"	408.098885	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+NH4+CF3COOH"	132.026685
"1639531"	413.05428	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+Na+CF3COOH"	136.98208
"1585022"	429.02822	"C07653"	"Flutamide"	"C11H11F3N2O3"	"276.0722"	"M+K+CF3COOH"	152.95602
"816488"	442.1376	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M"	0
"989631"	423.11921	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-H2O-H"	-19.01839
"74993"	293.751124	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M-3H"	-3.021828
"512366"	441.130324	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M-3H"	-3.021828
"893812"	146.371924	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-3H"	-3.021828
"10928"	441.130324	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M-2H"	-2.014552
"447209"	662.199124	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M-2H"	-2.014552
"825012"	220.061524	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-2H"	-2.014552
"88283"	883.267924	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M-H"	-1.007276
"523470"	1325.405524	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M-H"	-1.007276
"898354"	441.130324	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-H"	-1.007276
"48356"	900.294471	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M-2H+NH4"	16.019271
"492289"	1342.432071	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M-2H+NH4"	16.019271
"868998"	458.156871	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-2H+NH4"	16.019271
"36900"	905.249866	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M-2H+Na"	20.974666
"479377"	1347.387466	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M-2H+Na"	20.974666
"854995"	463.112266	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-2H+Na"	20.974666
"1628901"	463.112266	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Na-2H"	20.974666
"106525"	459.118663	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M-H+Cl"	33.962126
"541711"	680.187463	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M-H+Cl"	33.962126
"935227"	238.049863	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-H+Cl"	33.962126
"279249"	919.244602	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+Cl"	34.969402
"672763"	1361.382202	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+Cl"	34.969402
"1279701"	477.107002	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Cl"	34.969402
"23349"	921.223806	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M-2H+K"	36.948606
"464004"	1363.361406	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M-2H+K"	36.948606
"846180"	479.086206	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-2H+K"	36.948606
"1564200"	479.086206	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+K-2H"	36.948606
"953177"	487.135794	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-H+HCOOH"	44.998194
"376383"	929.273401	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+HCOOH-H"	44.998201
"359290"	943.289051	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+Hac-H"	59.013851
"1505936"	501.151451	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Hac-H"	59.013851
"973606"	509.117751	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-H+NaCOOH"	66.980151
"124209"	477.107002	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+2Cl"	69.938804
"565228"	698.175802	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+2Cl"	69.938804
"1036215"	256.038202	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2Cl"	69.938804
"1255794"	521.056485	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Br"	78.918885
"1319875"	523.112472	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Cl+HCOOH"	80.974872
"1331725"	545.094429	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Cl+NaCOOH"	102.956829
"924606"	555.123186	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M-H+CF3COOH"	112.985586
"1299491"	591.099864	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Cl+CF3COOH"	148.962264
"1382150"	407.124924	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H-2H2O"	-35.012676
"1396242"	425.1349	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H-H2O"	-17.0027
"294834"	885.282476	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+H"	1.007276
"685068"	1327.420076	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+H"	1.007276
"1362511"	443.144876	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H"	1.007276
"137587"	443.144876	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+2H"	2.014552
"579334"	664.213676	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+2H"	2.014552
"1045949"	222.076076	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2H"	2.014552
"216039"	295.765676	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+3H"	3.021828
"659616"	443.144876	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+3H"	3.021828
"1177372"	148.386476	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+3H"	3.021828
"431535"	902.309023	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+NH4"	18.033823
"794717"	1344.446623	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+NH4"	18.033823
"1692871"	460.171423	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+NH4"	18.033823
"345167"	451.6581495	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+H+NH4"	19.041099
"737220"	672.7269495	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+H+NH4"	19.041099
"1491772"	230.5893495	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H+NH4"	19.041099
"407537"	907.264418	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+Na"	22.989218
"769259"	1349.402018	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+Na"	22.989218
"1612255"	465.126818	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Na"	22.989218
"325574"	454.135847	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+H+Na"	23.996494
"719089"	675.204647	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+H+Na"	23.996494
"1470730"	233.067047	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H+Na"	23.996494
"1062881"	155.71379	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2H+Na"	25.00377
"1267840"	475.171086	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+CH3OH+H"	33.033486
"386415"	923.238358	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+K"	38.963158
"747409"	1365.375958	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+K"	38.963158
"1550556"	481.100758	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+K"	38.963158
"308828"	462.122817	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+H+K"	39.970434
"696875"	683.191617	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+H+K"	39.970434
"1451788"	241.054017	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H+K"	39.970434
"245129"	926.309026	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+ACN+H"	42.033826
"1212734"	484.171426	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+ACN+H"	42.033826
"1197711"	242.589351	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+ACN+2H"	43.041102
"189730"	929.24636	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+2Na-H"	44.97116
"631599"	1371.38396	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+2Na-H"	44.97116
"1141666"	487.10876	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2Na-H"	44.97116
"177302"	465.126818	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+2Na"	45.978436
"616501"	686.195618	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+2Na"	45.978436
"1119640"	244.058018	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2Na"	45.978436
"1402070"	163.041104	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H+2Na"	46.985712
"1431998"	489.150346	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H+HCOOH"	47.012746
"220720"	470.15984	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+3H2O+2H"	56.04448
"1513401"	503.20239	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+IsoProp+H"	61.06479
"410535"	473.113788	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+Na+K"	61.952376
"773724"	694.182588	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+Na+K"	61.952376
"1668961"	252.044988	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Na+K"	61.952376
"255119"	948.290968	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+ACN+Na"	64.015768
"1230016"	506.153368	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+ACN+Na"	64.015768
"1717443"	506.176893	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+NH4+HCOOH"	64.039293
"1181340"	170.368418	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+3Na"	68.967654
"1650991"	511.132288	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Na+HCOOH"	68.994688
"157486"	961.19424	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+2K-H"	76.91904
"597248"	1403.33184	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+2K-H"	76.91904
"1084590"	519.05664	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2K-H"	76.91904
"141769"	481.100758	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"2M+2K"	77.926316
"581573"	702.169558	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"3M+2K"	77.926316
"1068803"	260.031958	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2K"	77.926316
"1102468"	521.071192	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2K+H"	78.933592
"1337880"	521.158807	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+DMSO+H"	79.021207
"1005874"	525.197976	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2ACN+H"	83.060376
"1526114"	526.191608	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+IsoProp+Na+H"	84.054008
"990287"	263.102626	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+2ACN+2H"	84.067652
"1588402"	527.106228	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+K+HCOOH"	84.968628
"1415765"	557.137738	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+H+CF3COOH"	115.000138
"1150063"	283.615901	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+3ACN+2H"	125.094202
"1706173"	574.164285	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+NH4+CF3COOH"	132.026685
"1641828"	579.11968	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+Na+CF3COOH"	136.98208
"1585132"	595.09362	"C07654"	"Methacycline;Metacycline"	"C22H22N2O8"	"442.1376"	"M+K+CF3COOH"	152.95602
"816230"	337.1373	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M"	0
"986485"	318.11891	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-H2O-H"	-19.01839
"69628"	223.750924	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M-3H"	-3.021828
"517580"	336.130024	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M-3H"	-3.021828
"894283"	111.371824	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-3H"	-3.021828
"15412"	336.130024	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M-2H"	-2.014552
"455664"	504.698674	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M-2H"	-2.014552
"832731"	167.561374	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-2H"	-2.014552
"87302"	673.267324	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M-H"	-1.007276
"525768"	1010.404624	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M-H"	-1.007276
"902476"	336.130024	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-H"	-1.007276
"52478"	690.293871	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M-2H+NH4"	16.019271
"493131"	1027.431171	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M-2H+NH4"	16.019271
"869475"	353.156571	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-2H+NH4"	16.019271
"38834"	695.249266	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M-2H+Na"	20.974666
"485808"	1032.386566	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M-2H+Na"	20.974666
"861668"	358.111966	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-2H+Na"	20.974666
"1634043"	358.111966	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Na-2H"	20.974666
"109926"	354.118363	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M-H+Cl"	33.962126
"548382"	522.687013	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M-H+Cl"	33.962126
"940805"	185.549713	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-H+Cl"	33.962126
"282237"	709.244002	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+Cl"	34.969402
"669594"	1046.381302	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+Cl"	34.969402
"1283091"	372.106702	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Cl"	34.969402
"23460"	711.223206	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M-2H+K"	36.948606
"465207"	1048.360506	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M-2H+K"	36.948606
"845196"	374.085906	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-2H+K"	36.948606
"1565403"	374.085906	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+K-2H"	36.948606
"955474"	382.135494	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-H+HCOOH"	44.998194
"376934"	719.272801	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+HCOOH-H"	44.998201
"359766"	733.288451	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+Hac-H"	59.013851
"1508366"	396.151151	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Hac-H"	59.013851
"973958"	404.117451	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-H+NaCOOH"	66.980151
"125291"	372.106702	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+2Cl"	69.938804
"564849"	540.675352	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+2Cl"	69.938804
"1036201"	203.538052	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2Cl"	69.938804
"1256143"	416.056185	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Br"	78.918885
"1318227"	418.112172	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Cl+HCOOH"	80.974872
"1331835"	440.094129	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Cl+NaCOOH"	102.956829
"924715"	450.122886	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M-H+CF3COOH"	112.985586
"1299601"	486.099564	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Cl+CF3COOH"	148.962264
"1382016"	302.124624	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H-2H2O"	-35.012676
"1396353"	320.1346	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H-H2O"	-17.0027
"294944"	675.281876	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+H"	1.007276
"685178"	1012.419176	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+H"	1.007276
"1362621"	338.144576	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H"	1.007276
"136604"	338.144576	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+2H"	2.014552
"579444"	506.713226	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+2H"	2.014552
"1048245"	169.575926	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2H"	2.014552
"218580"	225.765476	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+3H"	3.021828
"658755"	338.144576	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+3H"	3.021828
"1177604"	113.386376	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+3H"	3.021828
"431645"	692.308423	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+NH4"	18.033823
"794827"	1029.445723	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+NH4"	18.033823
"1690064"	355.171123	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+NH4"	18.033823
"344187"	346.6578495	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+H+NH4"	19.041099
"737939"	515.2264995	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+H+NH4"	19.041099
"1492167"	178.0891995	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H+NH4"	19.041099
"407282"	697.263818	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+Na"	22.989218
"766453"	1034.401118	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+Na"	22.989218
"1614552"	360.126518	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Na"	22.989218
"324590"	349.135547	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+H+Na"	23.996494
"718106"	517.704197	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+H+Na"	23.996494
"1475213"	180.566897	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H+Na"	23.996494
"1066272"	120.71369	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2H+Na"	25.00377
"1270137"	370.170786	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+CH3OH+H"	33.033486
"388711"	713.237758	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+K"	38.963158
"751892"	1050.375058	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+K"	38.963158
"1553945"	376.100458	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+K"	38.963158
"310761"	357.122517	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+H+K"	39.970434
"700267"	525.691167	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+H+K"	39.970434
"1455178"	188.553867	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H+K"	39.970434
"244876"	716.308426	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+ACN+H"	42.033826
"1215397"	379.171126	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+ACN+H"	42.033826
"1198552"	190.089201	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+ACN+2H"	43.041102
"191057"	719.24576	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+2Na-H"	44.97116
"633533"	1056.38306	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+2Na-H"	44.97116
"1141777"	382.10846	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2Na-H"	44.97116
"175956"	360.126518	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+2Na"	45.978436
"614789"	528.695168	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+2Na"	45.978436
"1118659"	191.557868	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2Na"	45.978436
"1402914"	128.041004	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H+2Na"	46.985712
"1432473"	384.150046	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H+HCOOH"	47.012746
"223262"	365.15954	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+3H2O+2H"	56.04448
"1512784"	398.20209	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+IsoProp+H"	61.06479
"409551"	368.113488	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+Na+K"	61.952376
"774924"	536.682138	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+Na+K"	61.952376
"1673082"	199.544838	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Na+K"	61.952376
"259604"	738.290368	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+ACN+Na"	64.015768
"1231221"	401.153068	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+ACN+Na"	64.015768
"1716825"	401.176593	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+NH4+HCOOH"	64.039293
"1185461"	135.368318	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+3Na"	68.967654
"1660822"	406.131988	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Na+HCOOH"	68.994688
"164405"	751.19364	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+2K-H"	76.91904
"606153"	1088.33094	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+2K-H"	76.91904
"1085195"	414.05634	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2K-H"	76.91904
"141889"	376.100458	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"2M+2K"	77.926316
"585949"	544.669108	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"3M+2K"	77.926316
"1074836"	207.531808	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2K"	77.926316
"1106952"	416.070892	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2K+H"	78.933592
"1343336"	416.158507	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+DMSO+H"	79.021207
"1012959"	420.197676	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2ACN+H"	83.060376
"1531086"	421.191308	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+IsoProp+Na+H"	84.054008
"992430"	210.602476	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+2ACN+2H"	84.067652
"1588757"	422.105928	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+K+HCOOH"	84.968628
"1416604"	452.137438	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+H+CF3COOH"	115.000138
"1153453"	231.115751	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+3ACN+2H"	125.094202
"1706283"	469.163985	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+NH4+CF3COOH"	132.026685
"1641938"	474.11938	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+Na+CF3COOH"	136.98208
"1585242"	490.09332	"C07655"	"Streptobiosamine"	"C13H23NO9"	"337.1373"	"M+K+CF3COOH"	152.95602
"815613"	477.3162	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M"	0
"986956"	458.29781	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-H2O-H"	-19.01839
"67551"	317.203524	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M-3H"	-3.021828
"511487"	476.308924	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M-3H"	-3.021828
"893664"	158.098124	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-3H"	-3.021828
"14062"	476.308924	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M-2H"	-2.014552
"447427"	714.967024	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M-2H"	-2.014552
"830699"	237.650824	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-2H"	-2.014552
"84131"	953.625124	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M-H"	-1.007276
"523692"	1430.941324	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M-H"	-1.007276
"897117"	476.308924	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-H"	-1.007276
"48940"	970.651671	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M-2H+NH4"	16.019271
"489593"	1447.967871	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M-2H+NH4"	16.019271
"876143"	493.335471	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-2H+NH4"	16.019271
"38942"	975.607066	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M-2H+Na"	20.974666
"479599"	1452.923266	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M-2H+Na"	20.974666
"859590"	498.290866	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-2H+Na"	20.974666
"1630217"	498.290866	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Na-2H"	20.974666
"105652"	494.297263	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M-H+Cl"	33.962126
"546305"	732.955363	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M-H+Cl"	33.962126
"937632"	255.639163	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-H+Cl"	33.962126
"279470"	989.601802	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+Cl"	34.969402
"673956"	1466.918002	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+Cl"	34.969402
"1286116"	512.285602	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Cl"	34.969402
"24664"	991.581006	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M-2H+K"	36.948606
"465317"	1468.897206	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M-2H+K"	36.948606
"842023"	514.264806	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-2H+K"	36.948606
"1556764"	514.264806	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+K-2H"	36.948606
"943349"	522.314394	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-H+HCOOH"	44.998194
"368331"	999.630601	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+HCOOH-H"	44.998201
"357684"	1013.646251	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+Hac-H"	59.013851
"1506519"	536.330051	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Hac-H"	59.013851
"973991"	544.296351	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-H+NaCOOH"	66.980151
"125282"	512.285602	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+2Cl"	69.938804
"565084"	750.943702	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+2Cl"	69.938804
"1033513"	273.627502	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2Cl"	69.938804
"1255280"	556.235085	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Br"	78.918885
"1318457"	558.291072	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Cl+HCOOH"	80.974872
"1334129"	580.273029	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Cl+NaCOOH"	102.956829
"923001"	590.301786	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M-H+CF3COOH"	112.985586
"1297523"	626.278464	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Cl+CF3COOH"	148.962264
"1378965"	442.303524	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H-2H2O"	-35.012676
"1396463"	460.3135	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H-H2O"	-17.0027
"292867"	955.639676	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+H"	1.007276
"686383"	1432.955876	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+H"	1.007276
"1364919"	478.323476	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H"	1.007276
"137809"	478.323476	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+2H"	2.014552
"578461"	716.981576	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+2H"	2.014552
"1047262"	239.665376	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2H"	2.014552
"218933"	319.218076	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+3H"	3.021828
"657282"	478.323476	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+3H"	3.021828
"1177107"	160.112676	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+3H"	3.021828
"431755"	972.666223	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+NH4"	18.033823
"796760"	1449.982423	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+NH4"	18.033823
"1686894"	495.350023	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+NH4"	18.033823
"344416"	486.8367495	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+H+NH4"	19.041099
"735983"	725.4948495	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+H+NH4"	19.041099
"1489803"	248.1786495	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H+NH4"	19.041099
"407030"	977.621618	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+Na"	22.989218
"767294"	1454.937818	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+Na"	22.989218
"1615758"	500.305418	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Na"	22.989218
"325794"	489.314447	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+H+Na"	23.996494
"717123"	727.972547	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+H+Na"	23.996494
"1476622"	250.656347	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H+Na"	23.996494
"1067354"	167.43999	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2H+Na"	25.00377
"1270247"	510.349686	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+CH3OH+H"	33.033486
"389914"	993.595558	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+K"	38.963158
"752003"	1470.911758	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+K"	38.963158
"1553693"	516.279358	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+K"	38.963158
"310140"	497.301417	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+H+K"	39.970434
"701472"	735.959517	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+H+K"	39.970434
"1455291"	258.643317	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H+K"	39.970434
"243895"	996.666226	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+ACN+H"	42.033826
"1214416"	519.350026	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+ACN+H"	42.033826
"1198296"	260.178651	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+ACN+2H"	43.041102
"192260"	999.60356	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+2Na-H"	44.97116
"636195"	1476.91976	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+2Na-H"	44.97116
"1143711"	522.28736	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2Na-H"	44.97116
"175701"	500.305418	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+2Na"	45.978436
"614045"	738.963518	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+2Na"	45.978436
"1119501"	261.647318	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2Na"	45.978436
"1403025"	174.767304	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H+2Na"	46.985712
"1431000"	524.328946	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H+HCOOH"	47.012746
"222281"	505.33844	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+3H2O+2H"	56.04448
"1511802"	538.38099	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+IsoProp+H"	61.06479
"409661"	508.292388	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+Na+K"	61.952376
"772481"	746.950488	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+Na+K"	61.952376
"1671005"	269.634288	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Na+K"	61.952376
"258622"	1018.648168	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+ACN+Na"	64.015768
"1231695"	541.331968	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+ACN+Na"	64.015768
"1715842"	541.355493	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+NH4+HCOOH"	64.039293
"1182655"	182.094618	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+3Na"	68.967654
"1657651"	546.310888	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Na+HCOOH"	68.994688
"163422"	1031.55144	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+2K-H"	76.91904
"605170"	1508.86764	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+2K-H"	76.91904
"1084820"	554.23524	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2K-H"	76.91904
"145405"	516.279358	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"2M+2K"	77.926316
"588246"	754.937458	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"3M+2K"	77.926316
"1076040"	277.621258	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2K"	77.926316
"1110343"	556.249792	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2K+H"	78.933592
"1346727"	556.337407	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+DMSO+H"	79.021207
"1014163"	560.376576	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2ACN+H"	83.060376
"1531198"	561.370208	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+IsoProp+Na+H"	84.054008
"992540"	280.691926	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+2ACN+2H"	84.067652
"1589231"	562.284828	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+K+HCOOH"	84.968628
"1423276"	592.316338	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+H+CF3COOH"	115.000138
"1149189"	301.205201	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+3ACN+2H"	125.094202
"1703114"	609.342885	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+NH4+CF3COOH"	132.026685
"1640951"	614.29828	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+Na+CF3COOH"	136.98208
"1585352"	630.27222	"C07656"	"Gentamicin C1"	"C21H43N5O7"	"477.3162"	"M+K+CF3COOH"	152.95602
"816695"	475.3006	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M"	0
"988159"	456.28221	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-H2O-H"	-19.01839
"69848"	315.859790666667	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M-3H"	-3.021828
"506128"	474.293324	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M-3H"	-3.021828
"893774"	157.426257333333	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-3H"	-3.021828
"11256"	474.293324	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M-2H"	-2.014552
"451911"	711.943624	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M-2H"	-2.014552
"828622"	236.643024	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-2H"	-2.014552
"83146"	949.593924	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M-H"	-1.007276
"522707"	1424.894524	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M-H"	-1.007276
"900508"	474.293324	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-H"	-1.007276
"50873"	966.620471	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M-2H+NH4"	16.019271
"491163"	1441.921071	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M-2H+NH4"	16.019271
"874431"	491.319871	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-2H+NH4"	16.019271
"34678"	971.575866	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M-2H+Na"	20.974666
"479710"	1446.876466	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M-2H+Na"	20.974666
"857512"	496.275266	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-2H+Na"	20.974666
"1630325"	496.275266	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Na-2H"	20.974666
"100293"	492.281663	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M-H+Cl"	33.962126
"544227"	729.931963	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M-H+Cl"	33.962126
"935555"	254.631363	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-H+Cl"	33.962126
"276299"	985.570602	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+Cl"	34.969402
"668720"	1460.871202	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+Cl"	34.969402
"1283310"	510.270002	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Cl"	34.969402
"22587"	987.549806	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M-2H+K"	36.948606
"463240"	1462.850406	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M-2H+K"	36.948606
"837759"	512.249206	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-2H+K"	36.948606
"1557966"	512.249206	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+K-2H"	36.948606
"944756"	520.298794	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-H+HCOOH"	44.998194
"366254"	995.599401	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+HCOOH-H"	44.998201
"357793"	1009.615051	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+Hac-H"	59.013851
"1507603"	534.314451	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Hac-H"	59.013851
"973322"	542.280751	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-H+NaCOOH"	66.980151
"125109"	510.270002	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+2Cl"	69.938804
"564221"	747.920302	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+2Cl"	69.938804
"1033623"	272.619702	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2Cl"	69.938804
"1256123"	554.219485	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Br"	78.918885
"1318932"	556.275472	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Cl+HCOOH"	80.974872
"1327679"	578.257429	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Cl+NaCOOH"	102.956829
"919831"	588.286186	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M-H+CF3COOH"	112.985586
"1294352"	624.262864	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Cl+CF3COOH"	148.962264
"1376887"	440.287924	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H-2H2O"	-35.012676
"1391103"	458.2979	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H-H2O"	-17.0027
"294070"	951.608476	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+H"	1.007276
"690865"	1426.909076	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+H"	1.007276
"1366121"	476.307876	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H"	1.007276
"141249"	476.307876	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+2H"	2.014552
"580883"	713.958176	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+2H"	2.014552
"1051991"	238.657576	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2H"	2.014552
"216369"	317.874342666667	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+3H"	3.021828
"657024"	476.307876	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+3H"	3.021828
"1176121"	159.440809333333	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+3H"	3.021828
"432958"	968.635023	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+NH4"	18.033823
"793954"	1443.935623	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+NH4"	18.033823
"1689189"	493.334423	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+NH4"	18.033823
"342581"	484.8211495	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+H+NH4"	19.041099
"733175"	722.4714495	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+H+NH4"	19.041099
"1489184"	247.1708495	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H+NH4"	19.041099
"406044"	973.590418	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+Na"	22.989218
"765219"	1448.891018	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+Na"	22.989218
"1614773"	498.289818	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Na"	22.989218
"324811"	487.298847	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+H+Na"	23.996494
"715047"	724.949147	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+H+Na"	23.996494
"1473977"	249.648547	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H+Na"	23.996494
"1064672"	166.768123333333	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2H+Na"	25.00377
"1268172"	508.334086	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+CH3OH+H"	33.033486
"387838"	989.564358	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+K"	38.963158
"751022"	1464.864958	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+K"	38.963158
"1550525"	514.263758	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+K"	38.963158
"306608"	495.285817	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+H+K"	39.970434
"699398"	732.936117	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+H+K"	39.970434
"1452123"	257.635517	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H+K"	39.970434
"241817"	992.635026	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+ACN+H"	42.033826
"1212701"	517.334426	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+ACN+H"	42.033826
"1196221"	259.170851	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+ACN+2H"	43.041102
"190548"	995.57236	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+2Na-H"	44.97116
"635214"	1470.87296	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+2Na-H"	44.97116
"1139813"	520.27176	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2Na-H"	44.97116
"174715"	498.289818	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+2Na"	45.978436
"613672"	735.940118	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+2Na"	45.978436
"1118272"	260.639518	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2Na"	45.978436
"1403136"	174.095437333333	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H+2Na"	46.985712
"1431599"	522.313346	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H+HCOOH"	47.012746
"228227"	503.32284	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+3H2O+2H"	56.04448
"1514100"	536.36539	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+IsoProp+H"	61.06479
"410864"	506.276788	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+Na+K"	61.952376
"773319"	743.927088	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+Na+K"	61.952376
"1671115"	268.626488	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Na+K"	61.952376
"258732"	1014.616968	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+ACN+Na"	64.015768
"1231076"	539.316368	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+ACN+Na"	64.015768
"1716316"	539.339893	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+NH4+HCOOH"	64.039293
"1182765"	181.422751333333	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+3Na"	68.967654
"1659948"	544.295288	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Na+HCOOH"	68.994688
"164626"	1027.52024	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+2K-H"	76.91904
"603094"	1502.82084	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+2K-H"	76.91904
"1085052"	552.21964	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2K-H"	76.91904
"147703"	514.263758	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"2M+2K"	77.926316
"585440"	751.914058	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"3M+2K"	77.926316
"1073964"	276.613458	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2K"	77.926316
"1108267"	554.234192	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2K+H"	78.933592
"1344651"	554.321807	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+DMSO+H"	79.021207
"1013180"	558.360976	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2ACN+H"	83.060376
"1532401"	559.354608	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+IsoProp+Na+H"	84.054008
"992286"	279.684126	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+2ACN+2H"	84.067652
"1594443"	560.269228	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+K+HCOOH"	84.968628
"1421199"	590.300738	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+H+CF3COOH"	115.000138
"1149299"	300.197401	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+3ACN+2H"	125.094202
"1703224"	607.327285	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+NH4+CF3COOH"	132.026685
"1637781"	612.28268	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+Na+CF3COOH"	136.98208
"1585462"	628.25662	"C07657"	"Netilmicin"	"C21H41N5O7"	"475.3006"	"M+K+CF3COOH"	152.95602
"816399"	250.0524	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M"	0
"986083"	231.03401	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-H2O-H"	-19.01839
"69959"	165.694324	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M-3H"	-3.021828
"512800"	249.045124	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M-3H"	-3.021828
"893884"	82.343524	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-3H"	-3.021828
"11366"	249.045124	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M-2H"	-2.014552
"449834"	374.071324	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M-2H"	-2.014552
"827638"	124.018924	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-2H"	-2.014552
"90911"	499.097524	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M-H"	-1.007276
"525004"	749.149924	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M-H"	-1.007276
"900618"	249.045124	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-H"	-1.007276
"52806"	516.124071	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M-2H+NH4"	16.019271
"490180"	766.176471	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M-2H+NH4"	16.019271
"868345"	266.071671	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-2H+NH4"	16.019271
"38072"	521.079466	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M-2H+Na"	20.974666
"478727"	771.131866	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M-2H+Na"	20.974666
"859809"	271.027066	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-2H+Na"	20.974666
"1630435"	271.027066	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Na-2H"	20.974666
"96030"	267.033463	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M-H+Cl"	33.962126
"541059"	392.059663	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M-H+Cl"	33.962126
"936761"	142.007263	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-H+Cl"	33.962126
"270944"	535.074202	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+Cl"	34.969402
"667738"	785.126602	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+Cl"	34.969402
"1281235"	285.021802	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Cl"	34.969402
"25978"	537.053406	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M-2H+K"	36.948606
"464443"	787.105806	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M-2H+K"	36.948606
"837869"	287.001006	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-2H+K"	36.948606
"1555681"	287.001006	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+K-2H"	36.948606
"943773"	295.050594	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-H+HCOOH"	44.998194
"364176"	545.103001	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+HCOOH-H"	44.998201
"354623"	559.118651	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+Hac-H"	59.013851
"1505280"	309.066251	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Hac-H"	59.013851
"971726"	317.032551	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-H+NaCOOH"	66.980151
"122823"	285.021802	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+2Cl"	69.938804
"564209"	410.048002	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+2Cl"	69.938804
"1032640"	159.995602	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2Cl"	69.938804
"1256233"	328.971285	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Br"	78.918885
"1316854"	331.027272	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Cl+HCOOH"	80.974872
"1324509"	353.009229	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Cl+NaCOOH"	102.956829
"916661"	363.037986	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M-H+CF3COOH"	112.985586
"1294462"	399.014664	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Cl+CF3COOH"	148.962264
"1379549"	215.039724	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H-2H2O"	-35.012676
"1393400"	233.0497	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H-H2O"	-17.0027
"294180"	501.112076	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+H"	1.007276
"687695"	751.164476	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+H"	1.007276
"1366556"	251.059676	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H"	1.007276
"139853"	251.059676	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+2H"	2.014552
"580383"	376.085876	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+2H"	2.014552
"1051734"	126.033476	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2H"	2.014552
"216479"	167.708876	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+3H"	3.021828
"657134"	251.059676	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+3H"	3.021828
"1176353"	84.358076	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+3H"	3.021828
"433067"	518.138623	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+NH4"	18.033823
"796250"	768.191023	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+NH4"	18.033823
"1690392"	268.086223	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+NH4"	18.033823
"343417"	259.5729495	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+H+NH4"	19.041099
"733285"	384.5991495	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+H+NH4"	19.041099
"1490386"	134.5467495	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H+NH4"	19.041099
"404695"	523.094018	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+Na"	22.989218
"765691"	773.146418	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+Na"	22.989218
"1613789"	273.041618	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Na"	22.989218
"323828"	262.050647	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+H+Na"	23.996494
"717343"	387.076847	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+H+Na"	23.996494
"1474699"	137.024447	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H+Na"	23.996494
"1063325"	91.68539	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2H+Na"	25.00377
"1269012"	283.085886	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+CH3OH+H"	33.033486
"390499"	539.067958	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+K"	38.963158
"751132"	789.120358	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+K"	38.963158
"1550635"	289.015558	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+K"	38.963158
"307811"	270.037617	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+H+K"	39.970434
"700236"	395.063817	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+H+K"	39.970434
"1455514"	145.011417	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H+K"	39.970434
"241927"	542.138626	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+ACN+H"	42.033826
"1213906"	292.086226	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+ACN+H"	42.033826
"1197426"	146.546751	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+ACN+2H"	43.041102
"189929"	545.07596	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+2Na-H"	44.97116
"638603"	795.12836	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+2Na-H"	44.97116
"1139923"	295.02356	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2Na-H"	44.97116
"174463"	273.041618	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+2Na"	45.978436
"613780"	398.067818	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+2Na"	45.978436
"1119722"	148.015418	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2Na"	45.978436
"1407620"	99.012704	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H+2Na"	46.985712
"1431100"	297.065146	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H+HCOOH"	47.012746
"221775"	278.07464	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+3H2O+2H"	56.04448
"1510196"	311.11719	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+IsoProp+H"	61.06479
"409880"	281.028588	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+Na+K"	61.952376
"772701"	406.054788	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+Na+K"	61.952376
"1668666"	156.002388	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Na+K"	61.952376
"255187"	564.120568	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+ACN+Na"	64.015768
"1231547"	314.068168	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+ACN+Na"	64.015768
"1719342"	314.091693	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+NH4+HCOOH"	64.039293
"1186884"	106.340018	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+3Na"	68.967654
"1656779"	319.047088	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Na+HCOOH"	68.994688
"165830"	577.02384	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+2K-H"	76.91904
"607577"	827.07624	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+2K-H"	76.91904
"1085406"	326.97144	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2K-H"	76.91904
"147813"	289.015558	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"2M+2K"	77.926316
"584457"	414.041758	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"3M+2K"	77.926316
"1076261"	163.989358	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2K"	77.926316
"1109471"	328.985992	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2K+H"	78.933592
"1346948"	329.073607	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+DMSO+H"	79.021207
"1011103"	333.112776	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2ACN+H"	83.060376
"1530325"	334.106408	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+IsoProp+Na+H"	84.054008
"994583"	167.060026	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+2ACN+2H"	84.067652
"1591273"	335.021028	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+K+HCOOH"	84.968628
"1421309"	365.052538	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+H+CF3COOH"	115.000138
"1149409"	187.573301	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+3ACN+2H"	125.094202
"1703334"	382.079085	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+NH4+CF3COOH"	132.026685
"1641171"	387.03448	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+Na+CF3COOH"	136.98208
"1585572"	403.00842	"C07658"	"Sulfadiazine"	"C10H10N4O2S"	"250.0524"	"M+K+CF3COOH"	152.95602
"816754"	403.0297	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M"	0
"986193"	384.01131	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-H2O-H"	-19.01839
"74443"	267.679190666667	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M-3H"	-3.021828
"516191"	402.022424	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M-3H"	-3.021828
"894845"	133.335957333333	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-3H"	-3.021828
"15690"	402.022424	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M-2H"	-2.014552
"455660"	603.537274	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M-2H"	-2.014552
"831032"	200.507574	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-2H"	-2.014552
"93088"	805.052124	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M-H"	-1.007276
"526209"	1208.081824	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M-H"	-1.007276
"900731"	402.022424	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-H"	-1.007276
"58384"	822.078671	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M-2H+NH4"	16.019271
"490655"	1225.108371	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M-2H+NH4"	16.019271
"879477"	419.048971	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-2H+NH4"	16.019271
"41462"	827.034066	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M-2H+Na"	20.974666
"486370"	1230.063766	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M-2H+Na"	20.974666
"862837"	424.004366	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-2H+Na"	20.974666
"1631883"	424.004366	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Na-2H"	20.974666
"108413"	420.010763	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M-H+Cl"	33.962126
"548337"	621.525613	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M-H+Cl"	33.962126
"939786"	218.495913	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-H+Cl"	33.962126
"273240"	841.028802	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+Cl"	34.969402
"671857"	1244.058502	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+Cl"	34.969402
"1282438"	437.999102	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Cl"	34.969402
"27910"	843.008006	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M-2H+K"	36.948606
"464553"	1246.037706	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M-2H+K"	36.948606
"837979"	439.978306	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-2H+K"	36.948606
"1557214"	439.978306	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+K-2H"	36.948606
"947163"	448.027894	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-H+HCOOH"	44.998194
"367566"	851.057601	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+HCOOH-H"	44.998201
"358013"	865.073251	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+Hac-H"	59.013851
"1507455"	462.043551	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Hac-H"	59.013851
"968920"	470.009851	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-H+NaCOOH"	66.980151
"124513"	437.999102	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+2Cl"	69.938804
"565373"	639.513952	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+2Cl"	69.938804
"1033843"	236.484252	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2Cl"	69.938804
"1257024"	481.948585	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Br"	78.918885
"1319274"	484.004572	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Cl+HCOOH"	80.974872
"1331179"	505.986529	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Cl+NaCOOH"	102.956829
"922238"	516.015286	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M-H+CF3COOH"	112.985586
"1294571"	551.991964	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Cl+CF3COOH"	148.962264
"1379659"	368.017024	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H-2H2O"	-35.012676
"1394603"	386.027	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H-H2O"	-17.0027
"294290"	807.066676	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+H"	1.007276
"687805"	1210.096376	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+H"	1.007276
"1366706"	404.036976	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H"	1.007276
"140573"	404.036976	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+2H"	2.014552
"580942"	605.551826	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+2H"	2.014552
"1051237"	202.522126	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2H"	2.014552
"216589"	269.693742666667	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+3H"	3.021828
"658340"	404.036976	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+3H"	3.021828
"1176098"	135.350509333333	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+3H"	3.021828
"433177"	824.093223	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+NH4"	18.033823
"796360"	1227.122923	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+NH4"	18.033823
"1690503"	421.063523	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+NH4"	18.033823
"344622"	412.5502495	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+H+NH4"	19.041099
"735582"	614.0650995	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+H+NH4"	19.041099
"1490133"	211.0353995	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H+NH4"	19.041099
"406263"	829.048618	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+Na"	22.989218
"769081"	1232.078318	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+Na"	22.989218
"1614629"	426.018918	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Na"	22.989218
"326124"	415.027947	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+H+Na"	23.996494
"719274"	616.542797	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+H+Na"	23.996494
"1476017"	213.513097	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H+Na"	23.996494
"1068053"	142.677823333333	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2H+Na"	25.00377
"1272484"	436.063186	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+CH3OH+H"	33.033486
"388056"	845.022558	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+K"	38.963158
"750144"	1248.052258	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+K"	38.963158
"1552197"	441.992858	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+K"	38.963158
"311196"	423.014917	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+H+K"	39.970434
"702892"	624.529767	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+H+K"	39.970434
"1459630"	221.500067	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H+K"	39.970434
"246407"	848.093226	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+ACN+H"	42.033826
"1215838"	445.063526	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+ACN+H"	42.033826
"1204094"	223.035401	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+ACN+2H"	43.041102
"193687"	851.03056	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+2Na-H"	44.97116
"637620"	1254.06026	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+2Na-H"	44.97116
"1140032"	448.00086	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2Na-H"	44.97116
"175668"	426.018918	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+2Na"	45.978436
"621793"	627.533768	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+2Na"	45.978436
"1123112"	224.504068	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2Na"	45.978436
"1408823"	150.005137333333	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H+2Na"	46.985712
"1431697"	450.042446	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H+HCOOH"	47.012746
"228447"	431.05194	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+3H2O+2H"	56.04448
"1513228"	464.09449	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+IsoProp+H"	61.06479
"410355"	434.005888	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+Na+K"	61.952376
"772814"	635.520738	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+Na+K"	61.952376
"1669871"	232.491038	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Na+K"	61.952376
"256759"	870.075168	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+ACN+Na"	64.015768
"1232750"	467.045468	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+ACN+Na"	64.015768
"1719452"	467.068993	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+NH4+HCOOH"	64.039293
"1186995"	157.332451333333	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+3Na"	68.967654
"1661262"	472.024388	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Na+HCOOH"	68.994688
"170313"	882.97844	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+2K-H"	76.91904
"611333"	1286.00814	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+2K-H"	76.91904
"1084911"	479.94874	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2K-H"	76.91904
"152297"	441.992858	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"2M+2K"	77.926316
"588578"	643.507708	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"3M+2K"	77.926316
"1076371"	240.478008	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2K"	77.926316
"1110675"	481.963292	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2K+H"	78.933592
"1347058"	482.050907	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+DMSO+H"	79.021207
"1015587"	486.090076	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2ACN+H"	83.060376
"1531528"	487.083708	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+IsoProp+Na+H"	84.054008
"994693"	243.548676	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+2ACN+2H"	84.067652
"1594663"	487.998328	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+K+HCOOH"	84.968628
"1421419"	518.029838	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+H+CF3COOH"	115.000138
"1149519"	264.061951	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+3ACN+2H"	125.094202
"1703444"	535.056385	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+NH4+CF3COOH"	132.026685
"1641281"	540.01178	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+Na+CF3COOH"	136.98208
"1585682"	555.98572	"C07659"	"Sulfathalidine;Phthalylsulfathiazole;2-4-(2-Thiazolylamino)sulfonylphenylaminocarbonylbenzoic acid"	"C17H13N3O5S2"	"403.0297"	"M+K+CF3COOH"	152.95602
"815932"	361.1438	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M"	0
"986305"	342.12541	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-H2O-H"	-19.01839
"72366"	239.755257333333	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M-3H"	-3.021828
"516667"	360.136524	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M-3H"	-3.021828
"893010"	119.373990666667	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-3H"	-3.021828
"15156"	360.136524	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M-2H"	-2.014552
"454673"	540.708424	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M-2H"	-2.014552
"831871"	179.564624	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-2H"	-2.014552
"93320"	721.280324	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M-H"	-1.007276
"527412"	1082.424124	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M-H"	-1.007276
"910685"	360.136524	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-H"	-1.007276
"60681"	738.306871	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M-2H+NH4"	16.019271
"494775"	1099.450671	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M-2H+NH4"	16.019271
"879862"	377.163071	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-2H+NH4"	16.019271
"44488"	743.262266	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M-2H+Na"	20.974666
"486359"	1104.406066	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M-2H+Na"	20.974666
"863432"	382.118466	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-2H+Na"	20.974666
"1634104"	382.118466	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Na-2H"	20.974666
"109931"	378.124863	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M-H+Cl"	33.962126
"546749"	558.696763	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M-H+Cl"	33.962126
"941597"	197.552963	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-H+Cl"	33.962126
"279546"	757.257002	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+Cl"	34.969402
"675292"	1118.400802	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+Cl"	34.969402
"1285464"	396.113202	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Cl"	34.969402
"28384"	759.236206	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M-2H+K"	36.948606
"469035"	1120.380006	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M-2H+K"	36.948606
"841369"	398.092406	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-2H+K"	36.948606
"1562670"	398.092406	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+K-2H"	36.948606
"956023"	406.141994	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-H+HCOOH"	44.998194
"367676"	767.285801	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+HCOOH-H"	44.998201
"358124"	781.301451	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+Hac-H"	59.013851
"1504768"	420.157651	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Hac-H"	59.013851
"966840"	428.123951	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-H+NaCOOH"	66.980151
"124503"	396.113202	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+2Cl"	69.938804
"565157"	576.685102	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+2Cl"	69.938804
"1030673"	215.541302	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2Cl"	69.938804
"1256898"	440.062685	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Br"	78.918885
"1319835"	442.118672	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Cl+HCOOH"	80.974872
"1334569"	464.100629	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Cl+NaCOOH"	102.956829
"920160"	474.129386	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M-H+CF3COOH"	112.985586
"1294681"	510.106064	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Cl+CF3COOH"	148.962264
"1373937"	326.131124	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H-2H2O"	-35.012676
"1395806"	344.1411	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H-H2O"	-17.0027
"292213"	723.294876	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+H"	1.007276
"687915"	1084.438676	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+H"	1.007276
"1366777"	362.151076	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H"	1.007276
"133872"	362.151076	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+2H"	2.014552
"578903"	542.722976	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+2H"	2.014552
"1050986"	181.579176	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2H"	2.014552
"219253"	241.769809333333	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+3H"	3.021828
"654072"	362.151076	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+3H"	3.021828
"1172198"	121.388542666667	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+3H"	3.021828
"433287"	740.321423	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+NH4"	18.033823
"793188"	1101.465223	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+NH4"	18.033823
"1688427"	379.177623	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+NH4"	18.033823
"339987"	370.6643495	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+H+NH4"	19.041099
"735692"	551.2362495	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+H+NH4"	19.041099
"1488420"	190.0924495	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H+NH4"	19.041099
"408194"	745.276818	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+Na"	22.989218
"767004"	1106.420618	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+Na"	22.989218
"1612917"	384.133018	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Na"	22.989218
"324046"	373.142047	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+H+Na"	23.996494
"712092"	553.713947	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+H+Na"	23.996494
"1476250"	192.570147	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H+Na"	23.996494
"1068400"	128.715856666667	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2H+Na"	25.00377
"1271903"	394.177286	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+CH3OH+H"	33.033486
"389988"	761.250758	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+K"	38.963158
"750982"	1122.394558	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+K"	38.963158
"1549025"	400.106958	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+K"	38.963158
"311669"	381.129017	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+H+K"	39.970434
"703002"	561.700917	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+H+K"	39.970434
"1459012"	200.557117	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H+K"	39.970434
"246520"	764.321426	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+ACN+H"	42.033826
"1221417"	403.177626	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+ACN+H"	42.033826
"1205299"	202.092451	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+ACN+2H"	43.041102
"194161"	767.25876	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+2Na-H"	44.97116
"631170"	1128.40256	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+2Na-H"	44.97116
"1136865"	406.11496	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2Na-H"	44.97116
"182343"	384.133018	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+2Na"	45.978436
"624092"	564.704918	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+2Na"	45.978436
"1126502"	203.561118	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2Na"	45.978436
"1401277"	136.043170666667	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H+2Na"	46.985712
"1435581"	408.156546	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H+HCOOH"	47.012746
"222354"	389.16604	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+3H2O+2H"	56.04448
"1511509"	422.20859	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+IsoProp+H"	61.06479
"410103"	392.119988	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+Na+K"	61.952376
"772560"	572.691888	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+Na+K"	61.952376
"1672537"	211.548088	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Na+K"	61.952376
"263432"	786.303368	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+ACN+Na"	64.015768
"1233956"	425.159568	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+ACN+Na"	64.015768
"1723937"	425.183093	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+NH4+HCOOH"	64.039293
"1188199"	143.370484666667	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+3Na"	68.967654
"1664411"	430.138488	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Na+HCOOH"	68.994688
"172255"	799.20664	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+2K-H"	76.91904
"602332"	1160.35044	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+2K-H"	76.91904
"1093404"	438.06284	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2K-H"	76.91904
"154594"	400.106958	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"2M+2K"	77.926316
"594155"	580.678858	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"3M+2K"	77.926316
"1080853"	219.535058	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2K"	77.926316
"1110783"	440.077392	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2K+H"	78.933592
"1344980"	440.165007	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+DMSO+H"	79.021207
"1015697"	444.204176	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2ACN+H"	83.060376
"1537104"	445.197808	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+IsoProp+Na+H"	84.054008
"996990"	222.605726	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+2ACN+2H"	84.067652
"1596960"	446.112428	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+K+HCOOH"	84.968628
"1422621"	476.143938	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+H+CF3COOH"	115.000138
"1152908"	243.119001	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+3ACN+2H"	125.094202
"1704648"	493.170485	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+NH4+CF3COOH"	132.026685
"1638112"	498.12588	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+Na+CF3COOH"	136.98208
"1585792"	514.09982	"C07660"	"Levofloxacin;Ofloxacin S-(-)-form"	"C18H20FN3O4"	"361.1438"	"M+K+CF3COOH"	152.95602
"815070"	375.1594	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M"	0
"985322"	356.14101	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-H2O-H"	-19.01839
"71381"	249.098990666667	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M-3H"	-3.021828
"508755"	374.152124	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M-3H"	-3.021828
"890932"	124.045857333333	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-3H"	-3.021828
"14248"	374.152124	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M-2H"	-2.014552
"455350"	561.731824	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M-2H"	-2.014552
"832224"	186.572424	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-2H"	-2.014552
"93309"	749.311524	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M-H"	-1.007276
"533477"	1124.470924	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M-H"	-1.007276
"911082"	374.152124	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-H"	-1.007276
"62129"	766.338071	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M-2H+NH4"	16.019271
"497072"	1141.497471	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M-2H+NH4"	16.019271
"879655"	391.178671	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-2H+NH4"	16.019271
"46625"	771.293466	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M-2H+Na"	20.974666
"486921"	1146.452866	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M-2H+Na"	20.974666
"864156"	396.134066	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-2H+Na"	20.974666
"1634094"	396.134066	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Na-2H"	20.974666
"109485"	392.140463	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M-H+Cl"	33.962126
"549494"	579.720163	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M-H+Cl"	33.962126
"942558"	204.560763	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-H+Cl"	33.962126
"278928"	785.288202	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+Cl"	34.969402
"675240"	1160.447602	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+Cl"	34.969402
"1282658"	410.128802	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Cl"	34.969402
"28130"	787.267406	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M-2H+K"	36.948606
"465865"	1162.426806	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M-2H+K"	36.948606
"841479"	412.108006	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-2H+K"	36.948606
"1559500"	412.108006	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+K-2H"	36.948606
"954675"	420.157594	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-H+HCOOH"	44.998194
"364506"	795.317001	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+HCOOH-H"	44.998201
"357870"	809.332651	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+Hac-H"	59.013851
"1505971"	434.173251	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Hac-H"	59.013851
"969137"	442.139551	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-H+NaCOOH"	66.980151
"121329"	410.128802	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+2Cl"	69.938804
"563442"	597.708502	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+2Cl"	69.938804
"1032969"	222.549102	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2Cl"	69.938804
"1252549"	454.078285	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Br"	78.918885
"1318276"	456.134272	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Cl+HCOOH"	80.974872
"1328119"	478.116229	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Cl+NaCOOH"	102.956829
"916990"	488.144986	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M-H+CF3COOH"	112.985586
"1291511"	524.121664	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Cl+CF3COOH"	148.962264
"1370766"	340.146724	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H-2H2O"	-35.012676
"1388262"	358.1567	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H-H2O"	-17.0027
"289043"	751.326076	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+H"	1.007276
"685838"	1126.485476	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+H"	1.007276
"1364374"	376.166676	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H"	1.007276
"131795"	376.166676	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+2H"	2.014552
"576827"	563.746376	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+2H"	2.014552
"1051096"	188.586976	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2H"	2.014552
"218270"	251.113542666667	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+3H"	3.021828
"651996"	376.166676	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+3H"	3.021828
"1170121"	126.060409333333	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+3H"	3.021828
"432304"	768.352623	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+NH4"	18.033823
"792205"	1143.512023	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+NH4"	18.033823
"1686349"	393.193223	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+NH4"	18.033823
"336818"	384.6799495	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+H+NH4"	19.041099
"735074"	572.2596495	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+H+NH4"	19.041099
"1489259"	197.1002495	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H+NH4"	19.041099
"406118"	773.308018	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+Na"	22.989218
"766750"	1148.467418	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+Na"	22.989218
"1611934"	398.148618	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Na"	22.989218
"325249"	387.157647	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+H+Na"	23.996494
"712202"	574.737347	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+H+Na"	23.996494
"1474776"	199.577947	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H+Na"	23.996494
"1065836"	133.387723333333	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2H+Na"	25.00377
"1272500"	408.192886	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+CH3OH+H"	33.033486
"390099"	789.281958	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+K"	38.963158
"750362"	1164.441358	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+K"	38.963158
"1550227"	414.122558	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+K"	38.963158
"311779"	395.144617	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+H+K"	39.970434
"704204"	582.724317	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+H+K"	39.970434
"1454746"	207.564917	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H+K"	39.970434
"249908"	792.352626	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+ACN+H"	42.033826
"1220433"	417.193226	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+ACN+H"	42.033826
"1203221"	209.100251	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+ACN+2H"	43.041102
"200465"	795.28996	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+2Na-H"	44.97116
"641849"	1170.44936	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+2Na-H"	44.97116
"1140253"	420.13056	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2Na-H"	44.97116
"179172"	398.148618	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+2Na"	45.978436
"622013"	585.728318	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+2Na"	45.978436
"1120049"	210.568918	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2Na"	45.978436
"1401387"	140.715037333333	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H+2Na"	46.985712
"1436784"	422.172146	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H+HCOOH"	47.012746
"220559"	403.18164	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+3H2O+2H"	56.04448
"1509796"	436.22419	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+IsoProp+H"	61.06479
"408754"	406.135588	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+Na+K"	61.952376
"772304"	593.715288	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+Na+K"	61.952376
"1672647"	218.555888	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Na+K"	61.952376
"263542"	814.334568	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+ACN+Na"	64.015768
"1236252"	439.175168	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+ACN+Na"	64.015768
"1724047"	439.198693	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+NH4+HCOOH"	64.039293
"1190496"	148.042351333333	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+3Na"	68.967654
"1663670"	444.154088	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Na+HCOOH"	68.994688
"172694"	827.23784	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+2K-H"	76.91904
"605722"	1202.39724	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+2K-H"	76.91904
"1098982"	452.07844	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2K-H"	76.91904
"154704"	414.122558	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"2M+2K"	77.926316
"595237"	601.702258	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"3M+2K"	77.926316
"1080963"	226.542858	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2K"	77.926316
"1113080"	454.092992	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2K+H"	78.933592
"1343997"	454.180607	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+DMSO+H"	79.021207
"1019087"	458.219776	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2ACN+H"	83.060376
"1537214"	459.213408	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+IsoProp+Na+H"	84.054008
"994913"	229.613526	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+2ACN+2H"	84.067652
"1597069"	460.128028	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+K+HCOOH"	84.968628
"1419449"	490.159538	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+H+CF3COOH"	115.000138
"1149738"	250.126801	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+3ACN+2H"	125.094202
"1704758"	507.186085	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+NH4+CF3COOH"	132.026685
"1638222"	512.14148	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+Na+CF3COOH"	136.98208
"1585902"	528.11542	"C07661"	"Gatifloxacin;AM 1155"	"C19H22FN3O4"	"375.1594"	"M+K+CF3COOH"	152.95602
"815909"	392.166	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M"	0
"987619"	373.14761	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-H2O-H"	-19.01839
"67117"	260.436724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M-3H"	-3.021828
"512145"	391.158724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M-3H"	-3.021828
"887758"	129.714724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-3H"	-3.021828
"4148"	391.158724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M-2H"	-2.014552
"445898"	587.241724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M-2H"	-2.014552
"824794"	195.075724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-2H"	-2.014552
"92810"	783.324724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M-H"	-1.007276
"532250"	1175.490724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M-H"	-1.007276
"908350"	391.158724	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-H"	-1.007276
"61510"	800.351271	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M-2H+NH4"	16.019271
"500458"	1192.517271	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M-2H+NH4"	16.019271
"878749"	408.185271	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-2H+NH4"	16.019271
"44344"	805.306666	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M-2H+Na"	20.974666
"486990"	1197.472666	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M-2H+Na"	20.974666
"864062"	413.140666	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-2H+Na"	20.974666
"1634111"	413.140666	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Na-2H"	20.974666
"109804"	409.147063	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M-H+Cl"	33.962126
"549116"	605.230063	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M-H+Cl"	33.962126
"940846"	213.064063	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-H+Cl"	33.962126
"279039"	819.301402	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+Cl"	34.969402
"674498"	1211.467402	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+Cl"	34.969402
"1282768"	427.135402	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Cl"	34.969402
"27511"	821.280606	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M-2H+K"	36.948606
"469259"	1213.446606	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M-2H+K"	36.948606
"843776"	429.114606	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-2H+K"	36.948606
"1567264"	429.114606	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+K-2H"	36.948606
"954056"	437.164194	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-H+HCOOH"	44.998194
"366803"	829.330201	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+HCOOH-H"	44.998201
"355064"	843.345851	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+Hac-H"	59.013851
"1504988"	451.179851	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Hac-H"	59.013851
"968154"	459.146151	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-H+NaCOOH"	66.980151
"121439"	427.135402	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+2Cl"	69.938804
"562093"	623.218402	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+2Cl"	69.938804
"1031986"	231.052402	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2Cl"	69.938804
"1255210"	471.084885	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Br"	78.918885
"1317292"	473.140872	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Cl+HCOOH"	80.974872
"1327134"	495.122829	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Cl+NaCOOH"	102.956829
"919285"	505.151586	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M-H+CF3COOH"	112.985586
"1291620"	541.128264	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Cl+CF3COOH"	148.962264
"1374156"	357.153324	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H-2H2O"	-35.012676
"1390559"	375.1633	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H-H2O"	-17.0027
"283198"	785.339276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+H"	1.007276
"681573"	1177.505276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+H"	1.007276
"1357923"	393.173276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H"	1.007276
"134092"	393.173276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+2H"	2.014552
"580708"	589.256276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+2H"	2.014552
"1050842"	197.090276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2H"	2.014552
"218744"	262.451276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+3H"	3.021828
"654293"	393.173276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+3H"	3.021828
"1169138"	131.729276	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+3H"	3.021828
"431321"	802.365823	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+NH4"	18.033823
"791222"	1194.531823	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+NH4"	18.033823
"1687552"	410.199823	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+NH4"	18.033823
"336928"	401.6865495	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+H+NH4"	19.041099
"735184"	597.7695495	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+H+NH4"	19.041099
"1489369"	205.6035495	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H+NH4"	19.041099
"405135"	807.321218	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+Na"	22.989218
"767953"	1199.487218	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+Na"	22.989218
"1615324"	415.155218	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Na"	22.989218
"326819"	404.164247	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+H+Na"	23.996494
"712313"	600.247247	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+H+Na"	23.996494
"1473793"	208.081247	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H+Na"	23.996494
"1064853"	139.05659	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2H+Na"	25.00377
"1272608"	425.199486	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+CH3OH+H"	33.033486
"390572"	823.295158	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+K"	38.963158
"750471"	1215.461158	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+K"	38.963158
"1548151"	431.129158	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+K"	38.963158
"308610"	412.151217	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+H+K"	39.970434
"703221"	608.234217	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+H+K"	39.970434
"1453762"	216.068217	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H+K"	39.970434
"242363"	826.365826	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+ACN+H"	42.033826
"1215075"	434.199826	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+ACN+H"	42.033826
"1205155"	217.603551	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+ACN+2H"	43.041102
"197296"	829.30316	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+2Na-H"	44.97116
"636856"	1221.46916	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+2Na-H"	44.97116
"1143643"	437.13716	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2Na-H"	44.97116
"181105"	415.155218	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+2Na"	45.978436
"619937"	611.238218	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+2Na"	45.978436
"1123077"	219.072218	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2Na"	45.978436
"1399670"	146.383904	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H+2Na"	46.985712
"1430693"	439.178746	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H+HCOOH"	47.012746
"219997"	420.18824	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+3H2O+2H"	56.04448
"1509411"	453.23079	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+IsoProp+H"	61.06479
"408895"	423.142188	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+Na+K"	61.952376
"772053"	619.225188	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+Na+K"	61.952376
"1673851"	227.059188	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Na+K"	61.952376
"262195"	848.347768	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+ACN+Na"	64.015768
"1234176"	456.181768	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+ACN+Na"	64.015768
"1721971"	456.205293	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+NH4+HCOOH"	64.039293
"1191700"	153.711218	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+3Na"	68.967654
"1665552"	461.160688	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Na+HCOOH"	68.994688
"172820"	861.25104	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+2K-H"	76.91904
"605832"	1253.41704	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+2K-H"	76.91904
"1096907"	469.08504	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2K-H"	76.91904
"154814"	431.129158	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"2M+2K"	77.926316
"596320"	627.212158	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"3M+2K"	77.926316
"1081073"	235.046158	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2K"	77.926316
"1112096"	471.099592	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2K+H"	78.933592
"1347387"	471.187207	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+DMSO+H"	79.021207
"1017010"	475.226376	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2ACN+H"	83.060376
"1538053"	476.220008	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+IsoProp+Na+H"	84.054008
"1004621"	238.116826	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+2ACN+2H"	84.067652
"1601189"	477.134628	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+K+HCOOH"	84.968628
"1428307"	507.166138	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+H+CF3COOH"	115.000138
"1150941"	258.630101	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+3ACN+2H"	125.094202
"1701588"	524.192685	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+NH4+CF3COOH"	132.026685
"1638332"	529.14808	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+Na+CF3COOH"	136.98208
"1586012"	545.12202	"C07662"	"Sparfloxacin;cis-5-Amino-1-cyclopropyl-7-(35-dimethyl-1-piperazinyl)-68-difluoro-14-dihydro-4-oxo-3-quinolinecarboxylic acid"	"C19H22F2N4O3"	"392.166"	"M+K+CF3COOH"	152.95602
"815290"	401.1751	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M"	0
"985542"	382.15671	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-H2O-H"	-19.01839
"71601"	266.442790666667	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M-3H"	-3.021828
"511162"	400.167824	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M-3H"	-3.021828
"885682"	132.717757333333	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-3H"	-3.021828
"3529"	400.167824	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M-2H"	-2.014552
"444914"	600.755374	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M-2H"	-2.014552
"824902"	199.580274	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-2H"	-2.014552
"92555"	801.342924	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M-H"	-1.007276
"533452"	1202.518024	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M-H"	-1.007276
"905546"	400.167824	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-H"	-1.007276
"59796"	818.369471	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M-2H+NH4"	16.019271
"499475"	1219.544571	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M-2H+NH4"	16.019271
"878496"	417.194371	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-2H+NH4"	16.019271
"43725"	823.324866	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M-2H+Na"	20.974666
"486448"	1224.499966	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M-2H+Na"	20.974666
"863518"	422.149766	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-2H+Na"	20.974666
"1633538"	422.149766	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Na-2H"	20.974666
"108978"	418.156163	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M-H+Cl"	33.962126
"548172"	618.743713	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M-H+Cl"	33.962126
"938405"	217.568613	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-H+Cl"	33.962126
"278055"	837.319602	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+Cl"	34.969402
"673878"	1238.494702	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+Cl"	34.969402
"1283608"	436.144502	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Cl"	34.969402
"25434"	839.298806	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M-2H+K"	36.948606
"469125"	1240.473906	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M-2H+K"	36.948606
"846073"	438.123706	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-2H+K"	36.948606
"1567374"	438.123706	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+K-2H"	36.948606
"953073"	446.173294	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-H+HCOOH"	44.998194
"370193"	847.348401	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+HCOOH-H"	44.998201
"357360"	861.364051	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+Hac-H"	59.013851
"1505827"	460.188951	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Hac-H"	59.013851
"969357"	468.155251	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-H+NaCOOH"	66.980151
"121549"	436.144502	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+2Cl"	69.938804
"562203"	636.732052	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+2Cl"	69.938804
"1031003"	235.556952	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2Cl"	69.938804
"1254227"	480.093985	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Br"	78.918885
"1315945"	482.149972	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Cl+HCOOH"	80.974872
"1327244"	504.131929	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Cl+NaCOOH"	102.956829
"919395"	514.160686	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M-H+CF3COOH"	112.985586
"1291730"	550.137364	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Cl+CF3COOH"	148.962264
"1374266"	366.162424	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H-2H2O"	-35.012676
"1390669"	384.1724	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H-H2O"	-17.0027
"283105"	803.357476	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+H"	1.007276
"681683"	1204.532576	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+H"	1.007276
"1358033"	402.182376	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H"	1.007276
"134202"	402.182376	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+2H"	2.014552
"578507"	602.769926	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+2H"	2.014552
"1048401"	201.594826	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2H"	2.014552
"216666"	268.457342666667	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+3H"	3.021828
"652216"	402.182376	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+3H"	3.021828
"1169248"	134.732309333333	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+3H"	3.021828
"431431"	820.384023	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+NH4"	18.033823
"789145"	1221.559123	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+NH4"	18.033823
"1682560"	419.208923	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+NH4"	18.033823
"335945"	410.6956495	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+H+NH4"	19.041099
"730554"	611.2831995	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+H+NH4"	19.041099
"1485468"	210.1080995	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H+NH4"	19.041099
"399776"	825.339418	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+Na"	22.989218
"761865"	1226.514518	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+Na"	22.989218
"1608870"	424.164318	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Na"	22.989218
"320001"	413.173347	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+H+Na"	23.996494
"709140"	613.760897	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+H+Na"	23.996494
"1473903"	212.585797	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H+Na"	23.996494
"1064963"	142.059623333333	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2H+Na"	25.00377
"1271870"	434.208586	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+CH3OH+H"	33.033486
"388496"	841.313358	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+K"	38.963158
"747302"	1242.488458	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+K"	38.963158
"1548261"	440.138258	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+K"	38.963158
"304348"	421.160317	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+H+K"	39.970434
"703331"	621.747867	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+H+K"	39.970434
"1451686"	220.572767	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H+K"	39.970434
"242473"	844.384026	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+ACN+H"	42.033826
"1218466"	443.208926	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+ACN+H"	42.033826
"1203442"	222.108101	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+ACN+2H"	43.041102
"199592"	847.32136	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+2Na-H"	44.97116
"634049"	1248.49646	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+2Na-H"	44.97116
"1143025"	446.14626	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2Na-H"	44.97116
"179391"	424.164318	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+2Na"	45.978436
"617861"	624.751868	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+2Na"	45.978436
"1122094"	223.576768	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2Na"	45.978436
"1399901"	149.386937333333	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H+2Na"	46.985712
"1431531"	448.187846	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H+HCOOH"	47.012746
"221344"	429.19734	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+3H2O+2H"	56.04448
"1509037"	462.23989	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+IsoProp+H"	61.06479
"409007"	432.151288	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+Na+K"	61.952376
"771794"	632.738838	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+Na+K"	61.952376
"1668857"	231.563738	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Na+K"	61.952376
"257200"	866.365968	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+ACN+Na"	64.015768
"1232100"	465.190868	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+ACN+Na"	64.015768
"1723175"	465.214393	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+NH4+HCOOH"	64.039293
"1187433"	156.714251333333	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+3Na"	68.967654
"1657327"	470.169788	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Na+HCOOH"	68.994688
"169657"	879.26924	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+2K-H"	76.91904
"610313"	1280.44434	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+2K-H"	76.91904
"1096893"	478.09414	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2K-H"	76.91904
"149456"	440.138258	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"2M+2K"	77.926316
"596187"	640.725808	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"3M+2K"	77.926316
"1077903"	239.550708	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2K"	77.926316
"1106739"	480.108692	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2K+H"	78.933592
"1345310"	480.196307	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+DMSO+H"	79.021207
"1013840"	484.235476	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2ACN+H"	83.060376
"1536340"	485.229108	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+IsoProp+Na+H"	84.054008
"1002787"	242.621376	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+2ACN+2H"	84.067652
"1600571"	486.143728	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+K+HCOOH"	84.968628
"1424042"	516.175238	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+H+CF3COOH"	115.000138
"1149228"	263.134651	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+3ACN+2H"	125.094202
"1701698"	533.201785	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+NH4+CF3COOH"	132.026685
"1638442"	538.15718	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+Na+CF3COOH"	136.98208
"1586122"	554.13112	"C07663"	"Moxifloxacin"	"C21H24FN3O4"	"401.1751"	"M+K+CF3COOH"	152.95602
"816866"	416.1096	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M"	0
"986749"	397.09121	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-H2O-H"	-19.01839
"65150"	276.399124	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M-3H"	-3.021828
"511271"	415.102324	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M-3H"	-3.021828
"886888"	137.695924	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-3H"	-3.021828
"9835"	415.102324	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M-2H"	-2.014552
"447211"	623.157124	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M-2H"	-2.014552
"828290"	207.047524	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-2H"	-2.014552
"92300"	831.211924	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M-H"	-1.007276
"531128"	1247.321524	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M-H"	-1.007276
"909302"	415.102324	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-H"	-1.007276
"58934"	848.238471	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M-2H+NH4"	16.019271
"500563"	1264.348071	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M-2H+NH4"	16.019271
"878732"	432.128871	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-2H+NH4"	16.019271
"42742"	853.193866	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M-2H+Na"	20.974666
"485949"	1269.303466	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M-2H+Na"	20.974666
"861563"	437.084266	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-2H+Na"	20.974666
"1631096"	437.084266	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Na-2H"	20.974666
"107997"	433.090663	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M-H+Cl"	33.962126
"545002"	641.145463	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M-H+Cl"	33.962126
"939609"	225.035863	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-H+Cl"	33.962126
"275979"	867.188602	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+Cl"	34.969402
"672773"	1283.298202	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+Cl"	34.969402
"1284811"	451.079002	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Cl"	34.969402
"24450"	869.167806	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M-2H+K"	36.948606
"468385"	1285.277406	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M-2H+K"	36.948606
"846183"	453.058206	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-2H+K"	36.948606
"1567484"	453.058206	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+K-2H"	36.948606
"952090"	461.107794	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-H+HCOOH"	44.998194
"370303"	877.217401	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+HCOOH-H"	44.998201
"355284"	891.233051	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+Hac-H"	59.013851
"1503021"	475.123451	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Hac-H"	59.013851
"965094"	483.089751	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-H+NaCOOH"	66.980151
"122753"	451.079002	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+2Cl"	69.938804
"560126"	659.133802	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+2Cl"	69.938804
"1035852"	243.024202	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2Cl"	69.938804
"1255795"	495.028485	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Br"	78.918885
"1316419"	497.084472	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Cl+HCOOH"	80.974872
"1327354"	519.066429	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Cl+NaCOOH"	102.956829
"918412"	529.095186	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M-H+CF3COOH"	112.985586
"1292933"	565.071864	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Cl+CF3COOH"	148.962264
"1377656"	381.096924	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H-2H2O"	-35.012676
"1394059"	399.1069	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H-H2O"	-17.0027
"285120"	833.226476	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+H"	1.007276
"681793"	1249.336076	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+H"	1.007276
"1358143"	417.116876	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H"	1.007276
"134312"	417.116876	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+2H"	2.014552
"580440"	625.171676	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+2H"	2.014552
"1045958"	209.062076	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2H"	2.014552
"216776"	278.413676	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+3H"	3.021828
"651233"	417.116876	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+3H"	3.021828
"1169358"	139.710476	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+3H"	3.021828
"430448"	850.253023	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+NH4"	18.033823
"791441"	1266.362623	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+NH4"	18.033823
"1686679"	434.143423	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+NH4"	18.033823
"333868"	425.6301495	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+H+NH4"	19.041099
"730664"	633.6849495	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+H+NH4"	19.041099
"1485578"	217.5753495	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H+NH4"	19.041099
"399886"	855.208418	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+Na"	22.989218
"761975"	1271.318018	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+Na"	22.989218
"1610072"	439.098818	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Na"	22.989218
"320111"	428.107847	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+H+Na"	23.996494
"709610"	636.162647	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+H+Na"	23.996494
"1471826"	220.053047	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H+Na"	23.996494
"1060697"	147.03779	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2H+Na"	25.00377
"1271125"	449.143086	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+CH3OH+H"	33.033486
"388606"	871.182358	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+K"	38.963158
"749600"	1287.291958	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+K"	38.963158
"1549464"	455.072758	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+K"	38.963158
"304821"	436.094817	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+H+K"	39.970434
"702348"	644.149617	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+H+K"	39.970434
"1456900"	228.040017	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H+K"	39.970434
"242583"	874.253026	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+ACN+H"	42.033826
"1223316"	458.143426	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+ACN+H"	42.033826
"1202459"	229.575351	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+ACN+2H"	43.041102
"199703"	877.19036	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+2Na-H"	44.97116
"640723"	1293.29996	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+2Na-H"	44.97116
"1142042"	461.08076	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2Na-H"	44.97116
"180595"	439.098818	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+2Na"	45.978436
"617971"	647.153618	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+2Na"	45.978436
"1121475"	231.044018	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2Na"	45.978436
"1401714"	154.365104	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H+2Na"	46.985712
"1434194"	463.122346	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H+HCOOH"	47.012746
"220971"	444.13184	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+3H2O+2H"	56.04448
"1510489"	477.17439	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+IsoProp+H"	61.06479
"409932"	447.085788	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+Na+K"	61.952376
"773730"	655.140588	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+Na+K"	61.952376
"1672978"	239.030988	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Na+K"	61.952376
"259502"	896.234968	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+ACN+Na"	64.015768
"1231115"	480.125368	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+ACN+Na"	64.015768
"1724378"	480.148893	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+NH4+HCOOH"	64.039293
"1190826"	161.692418	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+3Na"	68.967654
"1663757"	485.104288	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Na+HCOOH"	68.994688
"171833"	909.13824	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+2K-H"	76.91904
"612375"	1325.24784	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+2K-H"	76.91904
"1097003"	493.02864	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2K-H"	76.91904
"151754"	455.072758	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"2M+2K"	77.926316
"595448"	663.127558	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"3M+2K"	77.926316
"1080200"	247.017958	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2K"	77.926316
"1111222"	495.043192	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2K+H"	78.933592
"1344327"	495.130807	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+DMSO+H"	79.021207
"1017230"	499.169976	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2ACN+H"	83.060376
"1537543"	500.163608	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+IsoProp+Na+H"	84.054008
"1004479"	250.088626	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+2ACN+2H"	84.067652
"1602468"	501.078228	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+K+HCOOH"	84.968628
"1427433"	531.109738	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+H+CF3COOH"	115.000138
"1154442"	270.601901	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+3ACN+2H"	125.094202
"1705088"	548.136285	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+NH4+CF3COOH"	132.026685
"1638552"	553.09168	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+Na+CF3COOH"	136.98208
"1586232"	569.06562	"C07664"	"Trovafloxacin"	"C20H15F3N4O3"	"416.1096"	"M+K+CF3COOH"	152.95602
"814418"	166.0565	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M"	0
"989724"	147.03811	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-H2O-H"	-19.01839
"67446"	109.697057333333	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M-3H"	-3.021828
"510289"	165.049224	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M-3H"	-3.021828
"883716"	54.3448906666667	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-3H"	-3.021828
"9946"	165.049224	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M-2H"	-2.014552
"452789"	248.077474	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M-2H"	-2.014552
"825124"	82.020974	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-2H"	-2.014552
"92773"	331.105724	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M-H"	-1.007276
"530150"	497.162224	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M-H"	-1.007276
"906859"	165.049224	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-H"	-1.007276
"56858"	348.132271	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M-2H+NH4"	16.019271
"502252"	514.188771	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M-2H+NH4"	16.019271
"879286"	182.075771	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-2H+NH4"	16.019271
"46011"	353.087666	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M-2H+Na"	20.974666
"486057"	519.144166	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M-2H+Na"	20.974666
"862404"	187.031166	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-2H+Na"	20.974666
"1629020"	187.031166	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Na-2H"	20.974666
"100083"	183.037563	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M-H+Cl"	33.962126
"545110"	266.065813	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M-H+Cl"	33.962126
"938625"	100.009313	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-H+Cl"	33.962126
"279003"	367.082402	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+Cl"	34.969402
"674947"	533.138902	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+Cl"	34.969402
"1286378"	201.025902	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Cl"	34.969402
"30716"	369.061606	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M-2H+K"	36.948606
"461934"	535.118106	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M-2H+K"	36.948606
"837548"	203.005106	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-2H+K"	36.948606
"1561034"	203.005106	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+K-2H"	36.948606
"947827"	211.054694	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-H+HCOOH"	44.998194
"373697"	377.111201	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+HCOOH-H"	44.998201
"361107"	391.126851	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+Hac-H"	59.013851
"1503132"	225.070351	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Hac-H"	59.013851
"969580"	233.036651	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-H+NaCOOH"	66.980151
"119583"	201.025902	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+2Cl"	69.938804
"560236"	284.054152	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+2Cl"	69.938804
"1034504"	117.997652	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2Cl"	69.938804
"1254811"	244.975385	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Br"	78.918885
"1316530"	247.031372	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Cl+HCOOH"	80.974872
"1327465"	269.013329	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Cl+NaCOOH"	102.956829
"923991"	279.042086	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M-H+CF3COOH"	112.985586
"1301793"	315.018764	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Cl+CF3COOH"	148.962264
"1376674"	131.043824	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H-2H2O"	-35.012676
"1391983"	149.0538	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H-H2O"	-17.0027
"291669"	333.120276	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+H"	1.007276
"682998"	499.176776	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+H"	1.007276
"1358253"	167.063776	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H"	1.007276
"139169"	167.063776	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+2H"	2.014552
"577267"	250.092026	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+2H"	2.014552
"1048622"	84.035526	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2H"	2.014552
"218711"	111.711609333333	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+3H"	3.021828
"656448"	167.063776	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+3H"	3.021828
"1168375"	56.3594426666667	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+3H"	3.021828
"437850"	350.146823	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+NH4"	18.033823
"792647"	516.203323	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+NH4"	18.033823
"1693354"	184.090323	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+NH4"	18.033823
"334706"	175.5770495	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+H+NH4"	19.041099
"730776"	258.6052995	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+H+NH4"	19.041099
"1490797"	92.5487995	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H+NH4"	19.041099
"398904"	355.102218	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+Na"	22.989218
"763179"	521.158718	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+Na"	22.989218
"1606903"	189.045718	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Na"	22.989218
"316210"	178.054747	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+H+Na"	23.996494
"715925"	261.082997	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+H+Na"	23.996494
"1471936"	95.026497	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H+Na"	23.996494
"1064086"	63.6867566666667	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2H+Na"	25.00377
"1271236"	199.089986	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+CH3OH+H"	33.033486
"389808"	371.076158	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+K"	38.963158
"749710"	537.132658	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+K"	38.963158
"1550668"	205.019658	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+K"	38.963158
"305659"	186.041717	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+H+K"	39.970434
"698083"	269.069967	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+H+K"	39.970434
"1450811"	103.013467	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H+K"	39.970434
"243787"	374.146826	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+ACN+H"	42.033826
"1221964"	208.090326	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+ACN+H"	42.033826
"1208036"	104.548801	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+ACN+2H"	43.041102
"196532"	377.08416	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+2Na-H"	44.97116
"631718"	543.14066	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+2Na-H"	44.97116
"1137415"	211.02766	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2Na-H"	44.97116
"185081"	189.045718	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+2Na"	45.978436
"623546"	272.073968	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+2Na"	45.978436
"1120488"	106.017468	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2Na"	45.978436
"1399994"	71.0140706666667	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H+2Na"	46.985712
"1430777"	213.069246	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H+HCOOH"	47.012746
"220348"	194.07874	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+3H2O+2H"	56.04448
"1509502"	227.12129	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+IsoProp+H"	61.06479
"409922"	197.032688	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+Na+K"	61.952376
"771282"	280.060938	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+Na+K"	61.952376
"1666889"	114.004438	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Na+K"	61.952376
"255598"	396.128768	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+ACN+Na"	64.015768
"1235599"	230.072268	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+ACN+Na"	64.015768
"1721204"	230.095793	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+NH4+HCOOH"	64.039293
"1187654"	78.3413846666667	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+3Na"	68.967654
"1659735"	235.051188	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Na+HCOOH"	68.994688
"168784"	409.03204	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+2K-H"	76.91904
"612404"	575.08854	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+2K-H"	76.91904
"1095049"	242.97554	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2K-H"	76.91904
"152958"	205.019658	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"2M+2K"	77.926316
"594706"	288.047908	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"3M+2K"	77.926316
"1080311"	121.991408	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2K"	77.926316
"1110239"	244.990092	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2K+H"	78.933592
"1346624"	245.077707	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+DMSO+H"	79.021207
"1017343"	249.116876	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2ACN+H"	83.060376
"1539475"	250.110508	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+IsoProp+Na+H"	84.054008
"1004709"	125.062076	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+2ACN+2H"	84.067652
"1601521"	251.025128	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+K+HCOOH"	84.968628
"1428641"	281.056638	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+H+CF3COOH"	115.000138
"1153459"	145.575351	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+3ACN+2H"	125.094202
"1705198"	298.083185	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+NH4+CF3COOH"	132.026685
"1645224"	303.03858	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+Na+CF3COOH"	136.98208
"1576501"	319.01252	"C07665"	"Ethionamide"	"C8H10N2S"	"166.0565"	"M+K+CF3COOH"	152.95602
"813430"	248.0619	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M"	0
"986969"	229.04351	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-H2O-H"	-19.01839
"67557"	164.367324	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M-3H"	-3.021828
"509306"	247.054624	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M-3H"	-3.021828
"883826"	81.680024	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-3H"	-3.021828
"7870"	247.054624	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M-2H"	-2.014552
"452899"	371.085574	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M-2H"	-2.014552
"825234"	123.023674	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-2H"	-2.014552
"90698"	495.116524	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M-H"	-1.007276
"529168"	743.178424	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M-H"	-1.007276
"906968"	247.054624	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-H"	-1.007276
"60247"	512.143071	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M-2H+NH4"	16.019271
"500901"	760.204971	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M-2H+NH4"	16.019271
"878704"	264.081171	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-2H+NH4"	16.019271
"45514"	517.098466	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M-2H+Na"	20.974666
"485803"	765.160366	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M-2H+Na"	20.974666
"861785"	269.036566	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-2H+Na"	20.974666
"1630224"	269.036566	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Na-2H"	20.974666
"100193"	265.042963	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M-H+Cl"	33.962126
"544128"	389.073913	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M-H+Cl"	33.962126
"935455"	141.012013	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-H+Cl"	33.962126
"275106"	531.093202	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+Cl"	34.969402
"668618"	779.155102	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+Cl"	34.969402
"1283207"	283.031302	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Cl"	34.969402
"21390"	533.072406	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M-2H+K"	36.948606
"459857"	781.134306	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M-2H+K"	36.948606
"840937"	285.010506	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-2H+K"	36.948606
"1561146"	285.010506	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+K-2H"	36.948606
"947937"	293.060094	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-H+HCOOH"	44.998194
"367247"	541.122001	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+HCOOH-H"	44.998201
"358421"	555.137651	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+Hac-H"	59.013851
"1499962"	307.075751	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Hac-H"	59.013851
"970785"	315.042051	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-H+NaCOOH"	66.980151
"125040"	283.031302	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+2Cl"	69.938804
"563627"	407.062252	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+2Cl"	69.938804
"1034250"	159.000352	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2Cl"	69.938804
"1255651"	326.980785	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Br"	78.918885
"1317735"	329.036772	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Cl+HCOOH"	80.974872
"1332679"	351.018729	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Cl+NaCOOH"	102.956829
"921912"	361.047486	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M-H+CF3COOH"	112.985586
"1294246"	397.024164	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Cl+CF3COOH"	148.962264
"1376784"	213.049224	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H-2H2O"	-35.012676
"1389907"	231.0592	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H-H2O"	-17.0027
"289593"	497.131076	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+H"	1.007276
"683108"	745.192976	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+H"	1.007276
"1361643"	249.069176	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H"	1.007276
"138185"	249.069176	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+2H"	2.014552
"577746"	373.100126	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+2H"	2.014552
"1048004"	125.038226	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2H"	2.014552
"217971"	166.381876	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+3H"	3.021828
"656558"	249.069176	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+3H"	3.021828
"1174319"	83.694576	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+3H"	3.021828
"427385"	514.157623	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+NH4"	18.033823
"790568"	762.219523	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+NH4"	18.033823
"1687992"	266.095723	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+NH4"	18.033823
"334452"	257.5824495	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+H+NH4"	19.041099
"731980"	381.6133995	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+H+NH4"	19.041099
"1489811"	133.5514995	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H+NH4"	19.041099
"399014"	519.113018	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+Na"	22.989218
"763290"	767.174918	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+Na"	22.989218
"1608106"	271.051118	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Na"	22.989218
"319239"	260.060147	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+H+Na"	23.996494
"716035"	384.091097	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+H+Na"	23.996494
"1472045"	136.029197	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H+Na"	23.996494
"1064196"	91.02189	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2H+Na"	25.00377
"1269160"	281.095386	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+CH3OH+H"	33.033486
"387732"	535.086958	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+K"	38.963158
"748730"	783.148858	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+K"	38.963158
"1547498"	287.025058	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+K"	38.963158
"306865"	268.047117	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+H+K"	39.970434
"702205"	392.078067	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+H+K"	39.970434
"1447272"	144.016167	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H+K"	39.970434
"238427"	538.157626	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+ACN+H"	42.033826
"1214420"	290.095726	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+ACN+H"	42.033826
"1195753"	145.551501	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+ACN+2H"	43.041102
"195549"	541.09496	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+2Na-H"	44.97116
"629764"	789.15686	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+2Na-H"	44.97116
"1137525"	293.03306	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2Na-H"	44.97116
"179722"	271.051118	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+2Na"	45.978436
"622563"	395.082068	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+2Na"	45.978436
"1119507"	147.020168	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2Na"	45.978436
"1401203"	98.349204	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H+2Na"	46.985712
"1431491"	295.074646	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H+HCOOH"	47.012746
"220703"	276.08414	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+3H2O+2H"	56.04448
"1509374"	309.12669	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+IsoProp+H"	61.06479
"410396"	279.038088	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+Na+K"	61.952376
"771395"	403.069038	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+Na+K"	61.952376
"1667727"	155.007138	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Na+K"	61.952376
"256072"	560.139568	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+ACN+Na"	64.015768
"1235709"	312.077668	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+ACN+Na"	64.015768
"1724596"	312.101193	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+NH4+HCOOH"	64.039293
"1186670"	105.676518	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+3Na"	68.967654
"1658751"	317.056588	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Na+HCOOH"	68.994688
"172630"	573.04284	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+2K-H"	76.91904
"612226"	821.10474	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+2K-H"	76.91904
"1096250"	324.98094	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2K-H"	76.91904
"150880"	287.025058	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"2M+2K"	77.926316
"593722"	411.056008	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"3M+2K"	77.926316
"1077139"	162.994108	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2K"	77.926316
"1111442"	326.995492	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2K+H"	78.933592
"1345641"	327.083107	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+DMSO+H"	79.021207
"1017451"	331.122276	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2ACN+H"	83.060376
"1538856"	332.115908	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+IsoProp+Na+H"	84.054008
"1002024"	166.064776	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+2ACN+2H"	84.067652
"1599809"	333.030528	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+K+HCOOH"	84.968628
"1428751"	363.062038	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+H+CF3COOH"	115.000138
"1153569"	186.578051	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+3ACN+2H"	125.094202
"1702028"	380.088585	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+NH4+CF3COOH"	132.026685
"1645334"	385.04398	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+Na+CF3COOH"	136.98208
"1586452"	401.01792	"C07666"	"Dapsone;44-Sulfonylbisbenzenamine;Diaphenylsulfone"	"C12H12N2O2S"	"248.0619"	"M+K+CF3COOH"	152.95602
"814633"	518.1941	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M"	0
"983792"	499.17571	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-H2O-H"	-19.01839
"72043"	344.455457333333	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M-3H"	-3.021828
"512697"	517.186824	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M-3H"	-3.021828
"885032"	171.724090666667	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-3H"	-3.021828
"10168"	517.186824	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M-2H"	-2.014552
"453741"	776.283874	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M-2H"	-2.014552
"830087"	258.089774	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-2H"	-2.014552
"90809"	1035.380924	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M-H"	-1.007276
"529275"	1553.575024	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M-H"	-1.007276
"905623"	517.186824	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-H"	-1.007276
"60359"	1052.407471	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M-2H+NH4"	16.019271
"495546"	1570.601571	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M-2H+NH4"	16.019271
"875173"	534.213371	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-2H+NH4"	16.019271
"43804"	1057.362866	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M-2H+Na"	20.974666
"482638"	1575.556966	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M-2H+Na"	20.974666
"848552"	539.168766	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-2H+Na"	20.974666
"1622682"	539.168766	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Na-2H"	20.974666
"96052"	535.175163	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M-H+Cl"	33.962126
"540958"	794.272213	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M-H+Cl"	33.962126
"932285"	276.078113	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-H+Cl"	33.962126
"273030"	1071.357602	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+Cl"	34.969402
"667635"	1589.551702	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+Cl"	34.969402
"1282225"	553.163502	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Cl"	34.969402
"30248"	1073.336806	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M-2H+K"	36.948606
"468716"	1591.530906	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M-2H+K"	36.948606
"846518"	555.142706	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-2H+K"	36.948606
"1566726"	555.142706	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+K-2H"	36.948606
"952423"	563.192294	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-H+HCOOH"	44.998194
"373918"	1081.386401	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+HCOOH-H"	44.998201
"355616"	1095.402051	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+Hac-H"	59.013851
"1503355"	577.207951	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Hac-H"	59.013851
"971989"	585.174251	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-H+NaCOOH"	66.980151
"121991"	553.163502	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+2Cl"	69.938804
"564832"	812.260552	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+2Cl"	69.938804
"1036548"	294.066452	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2Cl"	69.938804
"1255397"	597.112985	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Br"	78.918885
"1319303"	599.168972	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Cl+HCOOH"	80.974872
"1333518"	621.150929	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Cl+NaCOOH"	102.956829
"920931"	631.179686	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M-H+CF3COOH"	112.985586
"1294357"	667.156364	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Cl+CF3COOH"	148.962264
"1379812"	483.181424	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H-2H2O"	-35.012676
"1390017"	501.1914	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H-H2O"	-17.0027
"287516"	1037.395476	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+H"	1.007276
"683218"	1555.589576	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+H"	1.007276
"1358472"	519.201376	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H"	1.007276
"139027"	519.201376	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+2H"	2.014552
"579684"	778.298426	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+2H"	2.014552
"1050911"	260.104326	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2H"	2.014552
"218446"	346.470009333333	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+3H"	3.021828
"656668"	519.201376	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+3H"	3.021828
"1174429"	173.738642666667	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+3H"	3.021828
"435882"	1054.422023	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+NH4"	18.033823
"791774"	1572.616123	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+NH4"	18.033823
"1688104"	536.227923	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+NH4"	18.033823
"339665"	527.7146495	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+H+NH4"	19.041099
"733549"	786.8116995	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+H+NH4"	19.041099
"1491379"	268.6175995	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H+NH4"	19.041099
"404592"	1059.377418	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+Na"	22.989218
"765224"	1577.571518	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+Na"	22.989218
"1616482"	541.183318	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Na"	22.989218
"327007"	530.192347	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+H+Na"	23.996494
"718332"	789.289397	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+H+Na"	23.996494
"1467784"	271.095297	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H+Na"	23.996494
"1061028"	181.065956666667	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2H+Na"	25.00377
"1264894"	551.227586	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+CH3OH+H"	33.033486
"385659"	1075.351358	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+K"	38.963158
"743373"	1593.545458	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+K"	38.963158
"1546520"	557.157258	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+K"	38.963158
"300778"	538.179317	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+H+K"	39.970434
"703775"	797.276367	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+H+K"	39.970434
"1451031"	279.082267	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H+K"	39.970434
"242914"	1078.422026	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+ACN+H"	42.033826
"1220000"	560.227926	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+ACN+H"	42.033826
"1198415"	280.617601	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+ACN+2H"	43.041102
"190922"	1081.35936	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+2Na-H"	44.97116
"634130"	1599.55346	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+2Na-H"	44.97116
"1143103"	563.16526	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2Na-H"	44.97116
"179832"	541.183318	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+2Na"	45.978436
"615382"	800.280368	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+2Na"	45.978436
"1119614"	282.086268	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2Na"	45.978436
"1400950"	188.393270666667	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H+2Na"	46.985712
"1433065"	565.206846	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H+HCOOH"	47.012746
"220943"	546.21634	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+3H2O+2H"	56.04448
"1508758"	579.25889	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+IsoProp+H"	61.06479
"408646"	549.170288	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+Na+K"	61.952376
"772238"	808.267338	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+Na+K"	61.952376
"1670028"	290.073238	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Na+K"	61.952376
"260560"	1100.403968	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+ACN+Na"	64.015768
"1234726"	582.209868	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+ACN+Na"	64.015768
"1723612"	582.233393	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+NH4+HCOOH"	64.039293
"1187876"	195.720584666667	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+3Na"	68.967654
"1661049"	587.188788	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Na+HCOOH"	68.994688
"171682"	1113.30724	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+2K-H"	76.91904
"608569"	1631.50134	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+2K-H"	76.91904
"1090895"	595.11314	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2K-H"	76.91904
"154270"	557.157258	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"2M+2K"	77.926316
"588364"	816.254308	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"3M+2K"	77.926316
"1076156"	298.060208	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2K"	77.926316
"1106085"	597.127692	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2K+H"	78.933592
"1344657"	597.215307	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+DMSO+H"	79.021207
"1014282"	601.254476	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2ACN+H"	83.060376
"1529126"	602.248108	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+IsoProp+Na+H"	84.054008
"999947"	301.130876	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+2ACN+2H"	84.067652
"1595546"	603.162728	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+K+HCOOH"	84.968628
"1423392"	633.194238	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+H+CF3COOH"	115.000138
"1156963"	321.644151	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+3ACN+2H"	125.094202
"1703231"	650.220785	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+NH4+CF3COOH"	132.026685
"1645444"	655.17618	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+Na+CF3COOH"	136.98208
"1586562"	671.15012	"C07667"	"Gossypol"	"C30H30O8"	"518.1941"	"M+K+CF3COOH"	152.95602
"815472"	244.0283	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M"	0
"983901"	225.00991	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-H2O-H"	-19.01839
"69966"	161.678257333333	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M-3H"	-3.021828
"513903"	243.021024	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M-3H"	-3.021828
"891708"	80.3354906666667	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-3H"	-3.021828
"14290"	243.021024	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M-2H"	-2.014552
"447659"	365.035174	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M-2H"	-2.014552
"826555"	121.006874	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-2H"	-2.014552
"85452"	487.049324	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M-H"	-1.007276
"527200"	731.077624	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M-H"	-1.007276
"901720"	243.021024	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-H"	-1.007276
"50628"	504.075871	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M-2H+NH4"	16.019271
"491283"	748.104171	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M-2H+NH4"	16.019271
"874552"	260.047571	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-2H+NH4"	16.019271
"39173"	509.031266	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M-2H+Na"	20.974666
"480922"	753.059566	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M-2H+Na"	20.974666
"856537"	265.002966	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-2H+Na"	20.974666
"1628256"	265.002966	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Na-2H"	20.974666
"102598"	261.009363	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M-H+Cl"	33.962126
"543252"	383.023513	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M-H+Cl"	33.962126
"938953"	138.995213	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-H+Cl"	33.962126
"272042"	523.026002	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+Cl"	34.969402
"672117"	767.054302	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+Cl"	34.969402
"1281239"	278.997702	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Cl"	34.969402
"21611"	525.005206	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M-2H+K"	36.948606
"466637"	769.033506	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M-2H+K"	36.948606
"846263"	280.976906	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-2H+K"	36.948606
"1566836"	280.976906	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+K-2H"	36.948606
"954720"	289.026494	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-H+HCOOH"	44.998194
"373664"	533.054801	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+HCOOH-H"	44.998201
"360101"	547.070451	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+Hac-H"	59.013851
"1506745"	303.042151	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Hac-H"	59.013851
"969914"	311.008451	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-H+NaCOOH"	66.980151
"123196"	278.997702	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+2Cl"	69.938804
"560569"	401.011852	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+2Cl"	69.938804
"1035928"	156.983552	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2Cl"	69.938804
"1253319"	322.947185	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Br"	78.918885
"1316496"	325.003172	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Cl+HCOOH"	80.974872
"1327796"	346.985129	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Cl+NaCOOH"	102.956829
"919948"	357.013886	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M-H+CF3COOH"	112.985586
"1302491"	392.990564	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Cl+CF3COOH"	148.962264
"1374818"	209.015624	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H-2H2O"	-35.012676
"1391222"	227.0256	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H-H2O"	-17.0027
"293095"	489.063876	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+H"	1.007276
"677862"	733.092176	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+H"	1.007276
"1365875"	245.035576	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H"	1.007276
"139866"	245.035576	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+2H"	2.014552
"579429"	367.049726	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+2H"	2.014552
"1051506"	123.021426	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2H"	2.014552
"218435"	163.692809333333	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+3H"	3.021828
"656778"	245.035576	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+3H"	3.021828
"1175267"	82.3500426666667	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+3H"	3.021828
"436724"	506.090423	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+NH4"	18.033823
"795166"	750.118723	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+NH4"	18.033823
"1693687"	262.062123	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+NH4"	18.033823
"339775"	253.5488495	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+H+NH4"	19.041099
"734755"	375.5629995	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+H+NH4"	19.041099
"1492100"	131.5346995	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H+NH4"	19.041099
"405795"	511.045818	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+Na"	22.989218
"767522"	755.074118	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+Na"	22.989218
"1614890"	267.017518	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Na"	22.989218
"327725"	256.026547	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+H+Na"	23.996494
"719171"	378.040697	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+H+Na"	23.996494
"1467896"	134.012397	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H+Na"	23.996494
"1058953"	89.6773566666667	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2H+Na"	25.00377
"1267194"	277.061786	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+CH3OH+H"	33.033486
"385769"	527.019758	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+K"	38.963158
"750775"	771.048058	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+K"	38.963158
"1544443"	282.991458	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+K"	38.963158
"304900"	264.013517	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+H+K"	39.970434
"701699"	386.027667	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+H+K"	39.970434
"1456609"	141.999367	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H+K"	39.970434
"245211"	530.090426	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+ACN+H"	42.033826
"1219015"	286.062126	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+ACN+H"	42.033826
"1202899"	143.534701	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+ACN+2H"	43.041102
"194676"	533.02776	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+2Na-H"	44.97116
"629738"	777.05606	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+2Na-H"	44.97116
"1132071"	288.99946	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2Na-H"	44.97116
"173782"	267.017518	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+2Na"	45.978436
"616218"	389.031668	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+2Na"	45.978436
"1120817"	145.003368	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2Na"	45.978436
"1404341"	97.0046706666667	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H+2Na"	46.985712
"1433178"	291.041046	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H+HCOOH"	47.012746
"226157"	272.05054	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+3H2O+2H"	56.04448
"1508516"	305.09309	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+IsoProp+H"	61.06479
"412812"	275.004488	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+Na+K"	61.952376
"780369"	397.018638	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+Na+K"	61.952376
"1670140"	152.990338	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Na+K"	61.952376
"257754"	552.072368	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+ACN+Na"	64.015768
"1232651"	308.044068	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+ACN+Na"	64.015768
"1721539"	308.067593	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+NH4+HCOOH"	64.039293
"1191265"	104.331984666667	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+3Na"	68.967654
"1661159"	313.022988	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Na+HCOOH"	68.994688
"170209"	564.97564	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+2K-H"	76.91904
"612083"	809.00394	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+2K-H"	76.91904
"1092099"	320.94734	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2K-H"	76.91904
"150005"	282.991458	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"2M+2K"	77.926316
"589568"	405.005608	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"3M+2K"	77.926316
"1070801"	160.977308	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2K"	77.926316
"1107291"	322.961892	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2K+H"	78.933592
"1342581"	323.049507	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+DMSO+H"	79.021207
"1014390"	327.088676	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2ACN+H"	83.060376
"1534703"	328.082308	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+IsoProp+Na+H"	84.054008
"998965"	164.047976	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+2ACN+2H"	84.067652
"1597842"	328.996928	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+K+HCOOH"	84.968628
"1420220"	359.028438	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+H+CF3COOH"	115.000138
"1155979"	184.561251	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+3ACN+2H"	125.094202
"1705529"	376.054985	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+NH4+CF3COOH"	132.026685
"1645554"	381.01038	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+Na+CF3COOH"	136.98208
"1586672"	396.98432	"C07668"	"Apraclonidine"	"C9H10Cl2N4"	"244.0283"	"M+K+CF3COOH"	152.95602
"815582"	490.225	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M"	0
"984011"	471.20661	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-H2O-H"	-19.01839
"72260"	325.809390666667	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M-3H"	-3.021828
"515105"	489.217724	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M-3H"	-3.021828
"889626"	162.401057333333	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-3H"	-3.021828
"12578"	489.217724	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M-2H"	-2.014552
"451778"	734.330224	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M-2H"	-2.014552
"826665"	244.105224	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-2H"	-2.014552
"85562"	979.442724	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M-H"	-1.007276
"526216"	1469.667724	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M-H"	-1.007276
"906569"	489.217724	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-H"	-1.007276
"57665"	996.469271	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M-2H+NH4"	16.019271
"494673"	1486.694271	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M-2H+NH4"	16.019271
"874662"	506.244271	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-2H+NH4"	16.019271
"42200"	1001.424666	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M-2H+Na"	20.974666
"481032"	1491.649666	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M-2H+Na"	20.974666
"855555"	511.199666	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-2H+Na"	20.974666
"1630553"	511.199666	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Na-2H"	20.974666
"102708"	507.206063	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M-H+Cl"	33.962126
"545550"	752.318563	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M-H+Cl"	33.962126
"937971"	262.093563	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-H+Cl"	33.962126
"271058"	1015.419402	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+Cl"	34.969402
"667853"	1505.644402	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+Cl"	34.969402
"1281350"	525.194402	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Cl"	34.969402
"22814"	1017.398606	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M-2H+K"	36.948606
"465656"	1507.623606	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M-2H+K"	36.948606
"846373"	527.173606	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-2H+K"	36.948606
"1567675"	527.173606	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+K-2H"	36.948606
"954830"	535.223194	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-H+HCOOH"	44.998194
"374138"	1025.448201	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+HCOOH-H"	44.998201
"360820"	1039.463851	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+Hac-H"	59.013851
"1507950"	549.238851	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Hac-H"	59.013851
"973304"	557.205151	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-H+NaCOOH"	66.980151
"125633"	525.194402	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+2Cl"	69.938804
"562865"	770.306902	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+2Cl"	69.938804
"1035310"	280.081902	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2Cl"	69.938804
"1255616"	569.143885	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Br"	78.918885
"1319159"	571.199872	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Cl+HCOOH"	80.974872
"1335587"	593.181829	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Cl+NaCOOH"	102.956829
"926136"	603.210586	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M-H+CF3COOH"	112.985586
"1304125"	639.187264	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Cl+CF3COOH"	148.962264
"1382101"	455.212324	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H-2H2O"	-35.012676
"1397167"	473.2223	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H-H2O"	-17.0027
"296853"	981.457276	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+H"	1.007276
"681252"	1471.682276	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+H"	1.007276
"1364164"	491.232276	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H"	1.007276
"139967"	491.232276	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+2H"	2.014552
"578817"	736.344776	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+2H"	2.014552
"1052225"	246.119776	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2H"	2.014552
"219280"	327.823942666667	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+3H"	3.021828
"656158"	491.232276	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+3H"	3.021828
"1176716"	164.415609333333	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+3H"	3.021828
"433187"	998.483823	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+NH4"	18.033823
"795276"	1488.708823	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+NH4"	18.033823
"1694889"	508.258823	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+NH4"	18.033823
"339885"	499.7455495	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+H+NH4"	19.041099
"735229"	744.8580495	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+H+NH4"	19.041099
"1489412"	254.6330495	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H+NH4"	19.041099
"405176"	1003.439218	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+Na"	22.989218
"769701"	1493.664218	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+Na"	22.989218
"1615000"	513.214218	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Na"	22.989218
"326860"	502.223247	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+H+Na"	23.996494
"717458"	747.335747	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+H+Na"	23.996494
"1469097"	257.110747	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H+Na"	23.996494
"1065621"	171.742923333333	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2H+Na"	25.00377
"1269488"	523.258486	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+CH3OH+H"	33.033486
"386972"	1019.413158	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+K"	38.963158
"750156"	1509.638158	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+K"	38.963158
"1550018"	529.188158	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+K"	38.963158
"308289"	510.210217	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+H+K"	39.970434
"701809"	755.322717	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+H+K"	39.970434
"1456719"	265.097717	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H+K"	39.970434
"247507"	1022.483826	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+ACN+H"	42.033826
"1220218"	532.258826	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+ACN+H"	42.033826
"1201916"	266.633051	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+ACN+2H"	43.041102
"192598"	1025.42116	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+2Na-H"	44.97116
"631061"	1515.64616	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+2Na-H"	44.97116
"1132138"	535.19616	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2Na-H"	44.97116
"173361"	513.214218	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+2Na"	45.978436
"614143"	758.326718	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+2Na"	45.978436
"1118740"	268.101718	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2Na"	45.978436
"1404451"	179.070237333333	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H+2Na"	46.985712
"1432194"	537.237746	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H+HCOOH"	47.012746
"226267"	518.24724	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+3H2O+2H"	56.04448
"1509955"	551.28979	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+IsoProp+H"	61.06479
"410735"	521.201188	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+Na+K"	61.952376
"781572"	766.313688	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+Na+K"	61.952376
"1671343"	276.088688	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Na+K"	61.952376
"255677"	1044.465768	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+ACN+Na"	64.015768
"1232760"	554.240768	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+ACN+Na"	64.015768
"1722741"	554.264293	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+NH4+HCOOH"	64.039293
"1190281"	186.397551333333	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+3Na"	68.967654
"1657987"	559.219688	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Na+HCOOH"	68.994688
"170319"	1057.36904	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+2K-H"	76.91904
"609882"	1547.59404	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+2K-H"	76.91904
"1091115"	567.14404	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2K-H"	76.91904
"147929"	529.188158	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"2M+2K"	77.926316
"589676"	774.300658	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"3M+2K"	77.926316
"1072003"	284.075658	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2K"	77.926316
"1108493"	569.158592	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2K+H"	78.933592
"1342690"	569.246207	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+DMSO+H"	79.021207
"1013405"	573.285376	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2ACN+H"	83.060376
"1533719"	574.279008	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+IsoProp+Na+H"	84.054008
"995794"	287.146326	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+2ACN+2H"	84.067652
"1593577"	575.193628	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+K+HCOOH"	84.968628
"1419238"	605.225138	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+H+CF3COOH"	115.000138
"1158276"	307.659601	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+3ACN+2H"	125.094202
"1705639"	622.251685	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+NH4+CF3COOH"	132.026685
"1648580"	627.20708	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+Na+CF3COOH"	136.98208
"1586782"	643.18102	"C07669"	"Glimepiride"	"C24H34N4O5S"	"490.225"	"M+K+CF3COOH"	152.95602
"815692"	452.2675	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M"	0
"986310"	433.24911	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-H2O-H"	-19.01839
"75650"	300.504390666667	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M-3H"	-3.021828
"510839"	451.260224	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M-3H"	-3.021828
"888643"	149.748557333333	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-3H"	-3.021828
"10498"	451.260224	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M-2H"	-2.014552
"450067"	677.393974	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M-2H"	-2.014552
"828961"	225.126474	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-2H"	-2.014552
"88592"	903.527724	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M-H"	-1.007276
"529242"	1355.795224	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M-H"	-1.007276
"907773"	451.260224	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-H"	-1.007276
"54130"	920.554271	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M-2H+NH4"	16.019271
"494783"	1372.821771	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M-2H+NH4"	16.019271
"875866"	468.286771	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-2H+NH4"	16.019271
"41582"	925.509666	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M-2H+Na"	20.974666
"482967"	1377.777166	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M-2H+Na"	20.974666
"860040"	473.242166	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-2H+Na"	20.974666
"1629571"	473.242166	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Na-2H"	20.974666
"106100"	469.248563	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M-H+Cl"	33.962126
"548575"	695.382313	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M-H+Cl"	33.962126
"941361"	243.114813	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-H+Cl"	33.962126
"277730"	939.504402	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+Cl"	34.969402
"674650"	1391.771902	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+Cl"	34.969402
"1283647"	487.236902	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Cl"	34.969402
"25112"	941.483606	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M-2H+K"	36.948606
"470138"	1393.751106	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M-2H+K"	36.948606
"846483"	489.216106	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-2H+K"	36.948606
"1568148"	489.216106	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+K-2H"	36.948606
"957494"	497.265694	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-H+HCOOH"	44.998194
"374979"	949.533201	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+HCOOH-H"	44.998201
"360811"	963.548851	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+Hac-H"	59.013851
"1507941"	511.281351	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Hac-H"	59.013851
"971227"	519.247651	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-H+NaCOOH"	66.980151
"123415"	487.236902	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+2Cl"	69.938804
"562617"	713.370652	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+2Cl"	69.938804
"1036157"	261.103152	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2Cl"	69.938804
"1256829"	531.186385	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Br"	78.918885
"1318792"	533.242372	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Cl+HCOOH"	80.974872
"1334945"	555.224329	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Cl+NaCOOH"	102.956829
"924909"	565.253086	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M-H+CF3COOH"	112.985586
"1303449"	601.229764	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Cl+CF3COOH"	148.962264
"1380876"	417.254824	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H-2H2O"	-35.012676
"1394724"	435.2648	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H-H2O"	-17.0027
"296598"	905.542276	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+H"	1.007276
"681362"	1357.809776	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+H"	1.007276
"1363910"	453.274776	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H"	1.007276
"139713"	453.274776	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+2H"	2.014552
"580747"	679.408526	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+2H"	2.014552
"1052093"	227.141026	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2H"	2.014552
"219470"	302.518942666667	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+3H"	3.021828
"659026"	453.274776	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+3H"	3.021828
"1177311"	151.763109333333	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+3H"	3.021828
"436944"	922.568823	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+NH4"	18.033823
"800371"	1374.836323	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+NH4"	18.033823
"1693904"	470.301323	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+NH4"	18.033823
"341088"	461.7880495	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+H+NH4"	19.041099
"736068"	687.9217995	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+H+NH4"	19.041099
"1490615"	235.6542995	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H+NH4"	19.041099
"406379"	927.524218	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+Na"	22.989218
"769200"	1379.791718	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+Na"	22.989218
"1618379"	475.256718	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Na"	22.989218
"329919"	464.265747	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+H+Na"	23.996494
"722310"	690.399497	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+H+Na"	23.996494
"1473582"	238.131997	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H+Na"	23.996494
"1065731"	159.090423333333	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2H+Na"	25.00377
"1271058"	485.300986	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+CH3OH+H"	33.033486
"388905"	943.498158	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+K"	38.963158
"752452"	1395.765658	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+K"	38.963158
"1550130"	491.230658	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+K"	38.963158
"310587"	472.252717	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+H+K"	39.970434
"705567"	698.386467	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+H+K"	39.970434
"1459018"	246.118967	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H+K"	39.970434
"248712"	946.568826	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+ACN+H"	42.033826
"1223247"	494.301326	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+ACN+H"	42.033826
"1204213"	247.654301	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+ACN+2H"	43.041102
"189549"	949.50616	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+2Na-H"	44.97116
"634461"	1401.77366	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+2Na-H"	44.97116
"1137966"	497.23866	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2Na-H"	44.97116
"173844"	475.256718	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+2Na"	45.978436
"617536"	701.390468	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+2Na"	45.978436
"1118851"	249.122968	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2Na"	45.978436
"1404562"	166.417737333333	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H+2Na"	46.985712
"1431455"	499.280246	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H+HCOOH"	47.012746
"230752"	480.28974	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+3H2O+2H"	56.04448
"1519907"	513.33229	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+IsoProp+H"	61.06479
"410845"	483.243688	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+Na+K"	61.952376
"780591"	709.377438	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+Na+K"	61.952376
"1674733"	257.109938	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Na+K"	61.952376
"260163"	968.550768	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+ACN+Na"	64.015768
"1236151"	516.283268	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+ACN+Na"	64.015768
"1725767"	516.306793	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+NH4+HCOOH"	64.039293
"1188207"	173.745051333333	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+3Na"	68.967654
"1661381"	521.262188	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Na+HCOOH"	68.994688
"170431"	981.45404	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+2K-H"	76.91904
"607806"	1433.72154	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+2K-H"	76.91904
"1092317"	529.18654	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2K-H"	76.91904
"148039"	491.230658	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"2M+2K"	77.926316
"589786"	717.364408	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"3M+2K"	77.926316
"1075395"	265.096908	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2K"	77.926316
"1105322"	531.201092	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2K+H"	78.933592
"1340613"	531.288707	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+DMSO+H"	79.021207
"1015703"	535.327876	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2ACN+H"	83.060376
"1533830"	536.321508	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+IsoProp+Na+H"	84.054008
"995904"	268.167576	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+2ACN+2H"	84.067652
"1592595"	537.236128	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+K+HCOOH"	84.968628
"1422630"	567.267638	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+H+CF3COOH"	115.000138
"1156198"	288.680851	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+3ACN+2H"	125.094202
"1704656"	584.294185	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+NH4+CF3COOH"	132.026685
"1645774"	589.24958	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+Na+CF3COOH"	136.98208
"1586892"	605.22352	"C07670"	"Repaglinide"	"C27H36N2O4"	"452.2675"	"M+K+CF3COOH"	152.95602
"814709"	1322.6673	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M"	0
"984231"	1303.64891	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-H2O-H"	-19.01839
"71384"	880.770924	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M-3H"	-3.021828
"509855"	1321.660024	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M-3H"	-3.021828
"887659"	439.881824	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-3H"	-3.021828
"11701"	1321.660024	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M-2H"	-2.014552
"451271"	1982.993674	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M-2H"	-2.014552
"830168"	660.326374	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-2H"	-2.014552
"90523"	2644.327324	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M-H"	-1.007276
"530450"	3966.994624	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M-H"	-1.007276
"908251"	1321.660024	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-H"	-1.007276
"58616"	2661.353871	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M-2H+NH4"	16.019271
"499998"	3984.021171	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M-2H+NH4"	16.019271
"877439"	1338.686571	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-2H+NH4"	16.019271
"44246"	2666.309266	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M-2H+Na"	20.974666
"483809"	3988.976566	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M-2H+Na"	20.974666
"859056"	1343.641966	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-2H+Na"	20.974666
"1630781"	1343.641966	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Na-2H"	20.974666
"107309"	1339.648363	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M-H+Cl"	33.962126
"546867"	2000.982013	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M-H+Cl"	33.962126
"941113"	678.314713	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-H+Cl"	33.962126
"281127"	2680.304002	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+Cl"	34.969402
"674759"	4002.971302	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+Cl"	34.969402
"1284850"	1357.636702	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Cl"	34.969402
"27408"	2682.283206	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M-2H+K"	36.948606
"469521"	4004.950506	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M-2H+K"	36.948606
"847323"	1359.615906	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-2H+K"	36.948606
"1566071"	1359.615906	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+K-2H"	36.948606
"955050"	1367.665494	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-H+HCOOH"	44.998194
"376183"	2690.332801	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+HCOOH-H"	44.998201
"360920"	2704.348451	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+Hac-H"	59.013851
"1505990"	1381.681151	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Hac-H"	59.013851
"973285"	1389.647451	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-H+NaCOOH"	66.980151
"124628"	1357.636702	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+2Cl"	69.938804
"564795"	2018.970352	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+2Cl"	69.938804
"1036632"	696.303052	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2Cl"	69.938804
"1255844"	1401.586185	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Br"	78.918885
"1319824"	1403.642172	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Cl+HCOOH"	80.974872
"1335420"	1425.624129	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Cl+NaCOOH"	102.956829
"924655"	1435.652886	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M-H+CF3COOH"	112.985586
"1304115"	1471.629564	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Cl+CF3COOH"	148.962264
"1381716"	1287.654624	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H-2H2O"	-35.012676
"1396659"	1305.6646	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H-H2O"	-17.0027
"295616"	2646.341876	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+H"	1.007276
"684752"	3969.009176	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+H"	1.007276
"1365112"	1323.674576	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H"	1.007276
"137271"	1323.674576	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+2H"	2.014552
"580488"	1985.008226	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+2H"	2.014552
"1050744"	662.340926	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2H"	2.014552
"216454"	882.785476	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+3H"	3.021828
"656379"	1323.674576	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+3H"	3.021828
"1174503"	441.896376	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+3H"	3.021828
"436690"	2663.368423	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+NH4"	18.033823
"799873"	3986.035723	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+NH4"	18.033823
"1690734"	1340.701123	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+NH4"	18.033823
"337918"	1332.1878495	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+H+NH4"	19.041099
"734717"	1993.5214995	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+H+NH4"	19.041099
"1489632"	670.8541995	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H+NH4"	19.041099
"401750"	2668.323818	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+Na"	22.989218
"768945"	3990.991118	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+Na"	22.989218
"1618398"	1345.656518	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Na"	22.989218
"329679"	1334.665547	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+H+Na"	23.996494
"722016"	1995.999197	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+H+Na"	23.996494
"1476612"	673.331897	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H+Na"	23.996494
"1067670"	449.22369	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2H+Na"	25.00377
"1271536"	1355.700786	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+CH3OH+H"	33.033486
"390471"	2684.297758	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+K"	38.963158
"751468"	4006.965058	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+K"	38.963158
"1552426"	1361.630458	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+K"	38.963158
"312883"	1342.652517	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+H+K"	39.970434
"706773"	2003.986167	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+H+K"	39.970434
"1460222"	681.318867	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H+K"	39.970434
"250285"	2687.368426	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+ACN+H"	42.033826
"1220440"	1364.701126	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+ACN+H"	42.033826
"1205416"	682.854201	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+ACN+2H"	43.041102
"191728"	2690.30576	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+2Na-H"	44.97116
"634571"	4012.97306	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+2Na-H"	44.97116
"1141357"	1367.63846	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2Na-H"	44.97116
"183554"	1345.656518	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+2Na"	45.978436
"626393"	2006.990168	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+2Na"	45.978436
"1126617"	684.322868	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2Na"	45.978436
"1406861"	456.551004	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H+2Na"	46.985712
"1436792"	1369.680046	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H+HCOOH"	47.012746
"233779"	1350.68954	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+3H2O+2H"	56.04448
"1522205"	1383.73209	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+IsoProp+H"	61.06479
"421164"	1353.643488	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+Na+K"	61.952376
"782888"	2014.977138	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+Na+K"	61.952376
"1678126"	692.309838	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Na+K"	61.952376
"264651"	2709.350368	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+ACN+Na"	64.015768
"1238085"	1386.683068	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+ACN+Na"	64.015768
"1724055"	1386.706593	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+NH4+HCOOH"	64.039293
"1189410"	463.878318	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+3Na"	68.967654
"1664165"	1391.661988	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Na+HCOOH"	68.994688
"172569"	2722.25364	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+2K-H"	76.91904
"612294"	4044.92094	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+2K-H"	76.91904
"1096802"	1399.58634	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2K-H"	76.91904
"152524"	1361.630458	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"2M+2K"	77.926316
"594271"	2022.964108	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"3M+2K"	77.926316
"1080973"	700.296808	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2K"	77.926316
"1114061"	1401.600892	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2K+H"	78.933592
"1348258"	1401.688507	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+DMSO+H"	79.021207
"1018000"	1405.727676	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2ACN+H"	83.060376
"1536857"	1406.721308	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+IsoProp+Na+H"	84.054008
"1002575"	703.367476	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+2ACN+2H"	84.067652
"1598172"	1407.635928	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+K+HCOOH"	84.968628
"1420553"	1437.667438	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+H+CF3COOH"	115.000138
"1158494"	723.880751	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+3ACN+2H"	125.094202
"1704766"	1454.693985	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+NH4+CF3COOH"	132.026685
"1645884"	1459.64938	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+Na+CF3COOH"	136.98208
"1587002"	1475.62332	"C07671"	"Histrelin"	"C66H86N18O12"	"1322.6673"	"M+K+CF3COOH"	152.95602
"814455"	101.0701	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M"	0
"984341"	82.05171	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-H2O-H"	-19.01839
"70401"	66.3727906666667	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M-3H"	-3.021828
"508870"	100.062824	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M-3H"	-3.021828
"883393"	32.6827573333333	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-3H"	-3.021828
"3062"	100.062824	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M-2H"	-2.014552
"448088"	150.597874	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M-2H"	-2.014552
"831364"	49.527774	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-2H"	-2.014552
"84793"	201.132924	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M-H"	-1.007276
"525448"	302.203024	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M-H"	-1.007276
"902155"	100.062824	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-H"	-1.007276
"60546"	218.159471	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M-2H+NH4"	16.019271
"500354"	319.229571	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M-2H+NH4"	16.019271
"877909"	117.089371	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-2H+NH4"	16.019271
"44720"	223.114866	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M-2H+Na"	20.974666
"485376"	324.184966	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M-2H+Na"	20.974666
"860991"	122.044766	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-2H+Na"	20.974666
"1631978"	122.044766	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Na-2H"	20.974666
"108147"	118.051163	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M-H+Cl"	33.962126
"547706"	168.586213	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M-H+Cl"	33.962126
"940857"	67.516113	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-H+Cl"	33.962126
"280870"	237.109602	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+Cl"	34.969402
"672557"	338.179702	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+Cl"	34.969402
"1284959"	136.039502	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Cl"	34.969402
"28611"	239.088806	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M-2H+K"	36.948606
"468538"	340.158906	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M-2H+K"	36.948606
"847432"	138.018706	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-2H+K"	36.948606
"1570555"	138.018706	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+K-2H"	36.948606
"955523"	146.068294	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-H+HCOOH"	44.998194
"372280"	247.138401	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+HCOOH-H"	44.998201
"360178"	261.154051	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+Hac-H"	59.013851
"1506827"	160.083951	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Hac-H"	59.013851
"973513"	168.050251	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-H+NaCOOH"	66.980151
"124368"	136.039502	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+2Cl"	69.938804
"564540"	186.574552	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+2Cl"	69.938804
"1036012"	85.504452	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2Cl"	69.938804
"1255587"	179.988985	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Br"	78.918885
"1319660"	182.044972	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Cl+HCOOH"	80.974872
"1335166"	204.026929	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Cl+NaCOOH"	102.956829
"925494"	214.055686	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M-H+CF3COOH"	112.985586
"1302567"	250.032364	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Cl+CF3COOH"	148.962264
"1380608"	66.057424	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H-2H2O"	-35.012676
"1395309"	84.0674	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H-H2O"	-17.0027
"294628"	203.147476	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+H"	1.007276
"684862"	304.217576	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+H"	1.007276
"1357931"	102.077376	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H"	1.007276
"137381"	102.077376	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+2H"	2.014552
"581043"	152.612426	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+2H"	2.014552
"1051582"	51.542326	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2H"	2.014552
"217657"	68.3873426666667	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+3H"	3.021828
"657582"	102.077376	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+3H"	3.021828
"1171333"	34.6973093333333	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+3H"	3.021828
"437164"	220.174023	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+NH4"	18.033823
"794513"	321.244123	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+NH4"	18.033823
"1690844"	119.103923	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+NH4"	18.033823
"338027"	110.5906495	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+H+NH4"	19.041099
"733733"	161.1256995	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+H+NH4"	19.041099
"1485367"	60.0555995	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H+NH4"	19.041099
"402953"	225.129418	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+Na"	22.989218
"763949"	326.199518	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+Na"	22.989218
"1618295"	124.059318	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Na"	22.989218
"329832"	113.068347	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+H+Na"	23.996494
"721193"	163.603397	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+H+Na"	23.996494
"1473801"	62.533297	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H+Na"	23.996494
"1068265"	42.0246233333333	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2H+Na"	25.00377
"1270913"	134.103586	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+CH3OH+H"	33.033486
"389488"	241.103358	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+K"	38.963158
"753723"	342.173458	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+K"	38.963158
"1553265"	140.033258	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+K"	38.963158
"313886"	121.055317	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+H+K"	39.970434
"706516"	171.590367	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+H+K"	39.970434
"1461063"	70.520267	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H+K"	39.970434
"249668"	244.174026	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+ACN+H"	42.033826
"1221644"	143.103926	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+ACN+H"	42.033826
"1208078"	72.055601	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+ACN+2H"	43.041102
"190745"	247.11136	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+2Na-H"	44.97116
"628885"	348.18146	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+2Na-H"	44.97116
"1131988"	146.04126	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2Na-H"	44.97116
"174185"	124.059318	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+2Na"	45.978436
"623221"	174.594368	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+2Na"	45.978436
"1122352"	73.524268	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2Na"	45.978436
"1404782"	49.3519373333333	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H+2Na"	46.985712
"1439087"	148.082846	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H+HCOOH"	47.012746
"230969"	129.09234	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+3H2O+2H"	56.04448
"1519032"	162.13489	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+IsoProp+H"	61.06479
"422003"	132.046288	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+Na+K"	61.952376
"780811"	182.581338	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+Na+K"	61.952376
"1678236"	81.511238	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Na+K"	61.952376
"265855"	266.155968	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+ACN+Na"	64.015768
"1237465"	165.085868	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+ACN+Na"	64.015768
"1727081"	165.109393	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+NH4+HCOOH"	64.039293
"1190613"	56.6792513333333	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+3Na"	68.967654
"1661598"	170.064788	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Na+HCOOH"	68.994688
"168461"	279.05924	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+2K-H"	76.91904
"610941"	380.12934	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+2K-H"	76.91904
"1098734"	177.98914	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2K-H"	76.91904
"151541"	140.033258	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"2M+2K"	77.926316
"594381"	190.568308	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"3M+2K"	77.926316
"1079987"	89.498208	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2K"	77.926316
"1105542"	180.003692	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2K+H"	78.933592
"1341925"	180.091307	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+DMSO+H"	79.021207
"1011547"	184.130476	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2ACN+H"	83.060376
"1531862"	185.124108	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+IsoProp+Na+H"	84.054008
"998310"	92.568876	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+2ACN+2H"	84.067652
"1593906"	186.038728	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+K+HCOOH"	84.968628
"1417380"	216.070238	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+H+CF3COOH"	115.000138
"1154230"	113.082151	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+3ACN+2H"	125.094202
"1699408"	233.096785	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+NH4+CF3COOH"	132.026685
"1642713"	238.05218	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+Na+CF3COOH"	136.98208
"1577271"	254.02612	"C07672"	"Biguanide;Guanylguanidine"	"C2H7N5"	"101.0701"	"M+K+CF3COOH"	152.95602
"814929"	205.1327	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M"	0
"983358"	186.11431	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-H2O-H"	-19.01839
"69417"	135.747857333333	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M-3H"	-3.021828
"511165"	204.125424	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M-3H"	-3.021828
"892248"	67.3702906666667	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-3H"	-3.021828
"374"	204.125424	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M-2H"	-2.014552
"448198"	306.691774	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M-2H"	-2.014552
"821627"	101.559074	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-2H"	-2.014552
"84903"	409.258124	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M-H"	-1.007276
"526651"	614.390824	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M-H"	-1.007276
"900078"	204.125424	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-H"	-1.007276
"59200"	426.284671	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M-2H+NH4"	16.019271
"499854"	631.417371	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M-2H+NH4"	16.019271
"876563"	221.151971	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-2H+NH4"	16.019271
"45925"	431.240066	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M-2H+Na"	20.974666
"485486"	636.372766	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M-2H+Na"	20.974666
"861101"	226.107366	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-2H+Na"	20.974666
"1632453"	226.107366	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Na-2H"	20.974666
"107892"	222.113763	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M-H+Cl"	33.962126
"547816"	324.680113	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M-H+Cl"	33.962126
"941331"	119.547413	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-H+Cl"	33.962126
"279887"	445.234802	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+Cl"	34.969402
"672667"	650.367502	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+Cl"	34.969402
"1285069"	240.102102	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Cl"	34.969402
"27628"	447.214006	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M-2H+K"	36.948606
"468648"	652.346706	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M-2H+K"	36.948606
"848150"	242.081306	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-2H+K"	36.948606
"1566656"	242.081306	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+K-2H"	36.948606
"955634"	250.130894	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-H+HCOOH"	44.998194
"371296"	455.263601	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+HCOOH-H"	44.998201
"359924"	469.279251	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+Hac-H"	59.013851
"1505841"	264.146551	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Hac-H"	59.013851
"971561"	272.112851	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-H+NaCOOH"	66.980151
"125575"	240.102102	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+2Cl"	69.938804
"564045"	342.668452	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+2Cl"	69.938804
"1036814"	137.535752	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2Cl"	69.938804
"1256428"	284.051585	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Br"	78.918885
"1319485"	286.107572	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Cl+HCOOH"	80.974872
"1335038"	308.089529	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Cl+NaCOOH"	102.956829
"923780"	318.118286	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M-H+CF3COOH"	112.985586
"1303041"	354.094964	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Cl+CF3COOH"	148.962264
"1380841"	170.120024	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H-2H2O"	-35.012676
"1396149"	188.13	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H-H2O"	-17.0027
"295469"	411.272676	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+H"	1.007276
"682785"	616.405376	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+H"	1.007276
"1360228"	206.139976	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H"	1.007276
"136763"	206.139976	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+2H"	2.014552
"580586"	308.706326	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+2H"	2.014552
"1050233"	103.573626	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2H"	2.014552
"215945"	137.762409333333	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+3H"	3.021828
"657691"	206.139976	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+3H"	3.021828
"1173630"	69.3848426666667	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+3H"	3.021828
"438367"	428.299223	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+NH4"	18.033823
"799363"	633.431923	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+NH4"	18.033823
"1690954"	223.166523	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+NH4"	18.033823
"338137"	214.6532495	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+H+NH4"	19.041099
"732749"	317.2195995	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+H+NH4"	19.041099
"1478914"	112.0868995	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H+NH4"	19.041099
"403063"	433.254618	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+Na"	22.989218
"760780"	638.387318	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+Na"	22.989218
"1607784"	228.121918	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Na"	22.989218
"329738"	217.130947	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+H+Na"	23.996494
"721546"	319.697297	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+H+Na"	23.996494
"1473911"	114.564597	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H+Na"	23.996494
"1067522"	76.7121566666667	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2H+Na"	25.00377
"1269566"	238.166186	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+CH3OH+H"	33.033486
"388505"	449.228558	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+K"	38.963158
"753024"	654.361258	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+K"	38.963158
"1553375"	244.095858	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+K"	38.963158
"312010"	225.117917	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+H+K"	39.970434
"706258"	327.684267	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+H+K"	39.970434
"1458255"	122.551567	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H+K"	39.970434
"246859"	452.299226	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+ACN+H"	42.033826
"1218474"	247.166526	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+ACN+H"	42.033826
"1207821"	124.086901	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+ACN+2H"	43.041102
"188677"	455.23656	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+2Na-H"	44.97116
"628580"	660.36926	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+2Na-H"	44.97116
"1131388"	250.10386	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2Na-H"	44.97116
"172970"	228.121918	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+2Na"	45.978436
"620051"	330.688268	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+2Na"	45.978436
"1120275"	125.555568	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2Na"	45.978436
"1398609"	84.0394706666667	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H+2Na"	46.985712
"1436281"	252.145446	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H+HCOOH"	47.012746
"227799"	233.15494	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+3H2O+2H"	56.04448
"1515862"	266.19749	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+IsoProp+H"	61.06479
"421018"	236.108888	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+Na+K"	61.952376
"779827"	338.675238	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+Na+K"	61.952376
"1676889"	133.542538	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Na+K"	61.952376
"262317"	474.281168	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+ACN+Na"	64.015768
"1235389"	269.148468	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+ACN+Na"	64.015768
"1723182"	269.171993	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+NH4+HCOOH"	64.039293
"1189630"	91.3667846666667	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+3Na"	68.967654
"1660614"	274.127388	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Na+HCOOH"	68.994688
"168571"	487.18444	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+2K-H"	76.91904
"609229"	692.31714	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+2K-H"	76.91904
"1095928"	282.05174	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2K-H"	76.91904
"151650"	244.095858	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"2M+2K"	77.926316
"594491"	346.662208	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"3M+2K"	77.926316
"1077910"	141.529508	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2K"	77.926316
"1108931"	284.066292	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2K+H"	78.933592
"1340941"	284.153907	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+DMSO+H"	79.021207
"1011655"	288.193076	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2ACN+H"	83.060376
"1529782"	289.186708	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+IsoProp+Na+H"	84.054008
"996232"	144.600176	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+2ACN+2H"	84.067652
"1592920"	290.101328	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+K+HCOOH"	84.968628
"1418581"	320.132838	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+H+CF3COOH"	115.000138
"1157618"	165.113451	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+3ACN+2H"	125.094202
"1701704"	337.159385	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+NH4+CF3COOH"	132.026685
"1642823"	342.11478	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+Na+CF3COOH"	136.98208
"1577381"	358.08872	"C07673"	"Phenformin;DBI"	"C10H15N5"	"205.1327"	"M+K+CF3COOH"	152.95602
"815403"	157.1327	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M"	0
"983468"	138.11431	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-H2O-H"	-19.01839
"69527"	103.747857333333	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M-3H"	-3.021828
"513462"	156.125424	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M-3H"	-3.021828
"893087"	51.3702906666667	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-3H"	-3.021828
"2188"	156.125424	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M-2H"	-2.014552
"445028"	234.691774	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M-2H"	-2.014552
"821737"	77.559074	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-2H"	-2.014552
"85013"	313.258124	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M-H"	-1.007276
"526761"	470.390824	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M-H"	-1.007276
"898001"	156.125424	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-H"	-1.007276
"58944"	330.284671	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M-2H+NH4"	16.019271
"499478"	487.417371	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M-2H+NH4"	16.019271
"875580"	173.151971	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-2H+NH4"	16.019271
"45307"	335.240066	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M-2H+Na"	20.974666
"485597"	492.372766	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M-2H+Na"	20.974666
"861211"	178.107366	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-2H+Na"	20.974666
"1631106"	178.107366	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Na-2H"	20.974666
"106541"	174.113763	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M-H+Cl"	33.962126
"545008"	252.680113	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M-H+Cl"	33.962126
"938518"	95.547413	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-H+Cl"	33.962126
"278901"	349.234802	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+Cl"	34.969402
"671682"	506.367502	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+Cl"	34.969402
"1279711"	192.102102	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Cl"	34.969402
"27738"	351.214006	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M-2H+K"	36.948606
"465111"	508.346706	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M-2H+K"	36.948606
"846195"	194.081306	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-2H+K"	36.948606
"1564214"	194.081306	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+K-2H"	36.948606
"953191"	202.130894	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-H+HCOOH"	44.998194
"372135"	359.263601	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+HCOOH-H"	44.998201
"358944"	373.279251	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+Hac-H"	59.013851
"1505224"	216.146551	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Hac-H"	59.013851
"970943"	224.112851	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-H+NaCOOH"	66.980151
"122768"	192.102102	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+2Cl"	69.938804
"564518"	270.668452	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+2Cl"	69.938804
"1036599"	113.535752	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2Cl"	69.938804
"1256701"	236.051585	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Br"	78.918885
"1318984"	238.107572	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Cl+HCOOH"	80.974872
"1331376"	260.089529	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Cl+NaCOOH"	102.956829
"925838"	270.118286	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M-H+CF3COOH"	112.985586
"1300962"	306.094964	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Cl+CF3COOH"	148.962264
"1381554"	122.120024	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H-2H2O"	-35.012676
"1396503"	140.13	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H-H2O"	-17.0027
"295578"	315.272676	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+H"	1.007276
"687270"	472.405376	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+H"	1.007276
"1358151"	158.139976	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H"	1.007276
"132133"	158.139976	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+2H"	2.014552
"579720"	236.706326	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+2H"	2.014552
"1051435"	79.573626	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2H"	2.014552
"214960"	105.762409333333	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+3H"	3.021828
"658894"	158.139976	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+3H"	3.021828
"1175928"	53.3848426666667	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+3H"	3.021828
"439209"	332.299223	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+NH4"	18.033823
"800085"	489.431923	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+NH4"	18.033823
"1694347"	175.166523	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+NH4"	18.033823
"338248"	166.6532495	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+H+NH4"	19.041099
"733952"	245.2195995	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+H+NH4"	19.041099
"1485587"	88.0868995	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H+NH4"	19.041099
"399893"	337.254618	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+Na"	22.989218
"767087"	494.387318	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+Na"	22.989218
"1612268"	180.121918	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Na"	22.989218
"329362"	169.130947	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+H+Na"	23.996494
"721415"	247.697297	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+H+Na"	23.996494
"1472930"	90.564597	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H+Na"	23.996494
"1065083"	60.7121566666667	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2H+Na"	25.00377
"1268947"	190.166186	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+CH3OH+H"	33.033486
"390437"	353.228558	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+K"	38.963158
"752162"	510.361258	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+K"	38.963158
"1550569"	196.095858	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+K"	38.963158
"312849"	177.117917	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+H+K"	39.970434
"705884"	255.684267	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+H+K"	39.970434
"1459096"	98.551567	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H+K"	39.970434
"248063"	356.299226	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+ACN+H"	42.033826
"1214211"	199.166526	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+ACN+H"	42.033826
"1206477"	100.086901	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+ACN+2H"	43.041102
"188937"	359.23656	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+2Na-H"	44.97116
"631983"	516.36926	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+2Na-H"	44.97116
"1136219"	202.10386	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2Na-H"	44.97116
"174770"	180.121918	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+2Na"	45.978436
"617974"	258.688268	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+2Na"	45.978436
"1122572"	101.555568	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2Na"	45.978436
"1399288"	68.0394706666667	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H+2Na"	46.985712
"1433839"	204.145446	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H+HCOOH"	47.012746
"229002"	185.15494	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+3H2O+2H"	56.04448
"1515972"	218.19749	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+IsoProp+H"	61.06479
"420401"	188.108888	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+Na+K"	61.952376
"778116"	266.675238	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+Na+K"	61.952376
"1677727"	109.542538	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Na+K"	61.952376
"260967"	378.281168	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+ACN+Na"	64.015768
"1235863"	221.148468	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+ACN+Na"	64.015768
"1723656"	221.171993	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+NH4+HCOOH"	64.039293
"1192291"	75.3667846666667	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+3Na"	68.967654
"1662911"	226.127388	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Na+HCOOH"	68.994688
"167588"	391.18444	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+2K-H"	76.91904
"611406"	548.31714	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+2K-H"	76.91904
"1097131"	234.05174	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2K-H"	76.91904
"152854"	196.095858	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"2M+2K"	77.926316
"593508"	274.662208	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"3M+2K"	77.926316
"1079114"	117.529508	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2K"	77.926316
"1109041"	236.066292	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2K+H"	78.933592
"1339229"	236.153907	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+DMSO+H"	79.021207
"1010673"	240.193076	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2ACN+H"	83.060376
"1528799"	241.186708	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+IsoProp+Na+H"	84.054008
"997436"	120.600176	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+2ACN+2H"	84.067652
"1593030"	242.101328	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+K+HCOOH"	84.968628
"1416505"	272.132838	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+H+CF3COOH"	115.000138
"1149709"	141.113451	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+3ACN+2H"	125.094202
"1702907"	289.159385	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+NH4+CF3COOH"	132.026685
"1642933"	294.11478	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+Na+CF3COOH"	136.98208
"1577491"	310.08872	"C07674"	"Buformin;1-Butylbiguanide"	"C6H15N5"	"157.1327"	"M+K+CF3COOH"	152.95602
"816242"	356.1195	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M"	0
"988682"	337.10111	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-H2O-H"	-19.01839
"72917"	236.405724	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M-3H"	-3.021828
"515759"	355.112224	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M-3H"	-3.021828
"893561"	117.699224	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-3H"	-3.021828
"9950"	355.112224	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M-2H"	-2.014552
"447322"	533.171974	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M-2H"	-2.014552
"828404"	177.052474	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-2H"	-2.014552
"80747"	711.231724	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M-H"	-1.007276
"525774"	1067.351224	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M-H"	-1.007276
"900293"	355.112224	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-H"	-1.007276
"60511"	728.258271	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M-2H+NH4"	16.019271
"498611"	1084.377771	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M-2H+NH4"	16.019271
"876298"	372.138771	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-2H+NH4"	16.019271
"44321"	733.213666	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M-2H+Na"	20.974666
"485217"	1089.333166	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M-2H+Na"	20.974666
"861685"	377.094166	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-2H+Na"	20.974666
"1629395"	377.094166	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Na-2H"	20.974666
"105558"	373.100563	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M-H+Cl"	33.962126
"546208"	551.160313	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M-H+Cl"	33.962126
"938267"	195.040813	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-H+Cl"	33.962126
"279378"	747.208402	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+Cl"	34.969402
"672893"	1103.327902	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+Cl"	34.969402
"1285658"	391.088902	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Cl"	34.969402
"29307"	749.187606	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M-2H+K"	36.948606
"466315"	1105.307106	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M-2H+K"	36.948606
"846670"	393.068106	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-2H+K"	36.948606
"1569797"	393.068106	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+K-2H"	36.948606
"955855"	401.117694	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-H+HCOOH"	44.998194
"375894"	757.237201	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+HCOOH-H"	44.998201
"359052"	771.252851	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+Hac-H"	59.013851
"1504966"	415.133351	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Hac-H"	59.013851
"973734"	423.099651	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-H+NaCOOH"	66.980151
"122514"	391.088902	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+2Cl"	69.938804
"564630"	569.148652	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+2Cl"	69.938804
"1036104"	213.029152	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2Cl"	69.938804
"1253364"	435.038385	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Br"	78.918885
"1317635"	437.094372	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Cl+HCOOH"	80.974872
"1333674"	459.076329	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Cl+NaCOOH"	102.956829
"922177"	469.105086	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M-H+CF3COOH"	112.985586
"1300708"	505.081764	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Cl+CF3COOH"	148.962264
"1378869"	321.106824	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H-2H2O"	-35.012676
"1393084"	339.1168	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H-H2O"	-17.0027
"295324"	713.246276	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+H"	1.007276
"686650"	1069.365776	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+H"	1.007276
"1358261"	357.126776	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H"	1.007276
"131150"	357.126776	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+2H"	2.014552
"579829"	535.186526	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+2H"	2.014552
"1048993"	179.067026	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2H"	2.014552
"211790"	238.420276	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+3H"	3.021828
"654630"	357.126776	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+3H"	3.021828
"1175674"	119.713776	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+3H"	3.021828
"439318"	730.272823	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+NH4"	18.033823
"801358"	1086.392323	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+NH4"	18.033823
"1695185"	374.153323	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+NH4"	18.033823
"338358"	365.6400495	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+H+NH4"	19.041099
"735155"	543.6997995	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+H+NH4"	19.041099
"1486790"	187.5802995	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H+NH4"	19.041099
"400003"	735.228218	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+Na"	22.989218
"769384"	1091.347718	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+Na"	22.989218
"1612378"	379.108718	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Na"	22.989218
"329310"	368.117747	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+H+Na"	23.996494
"720306"	546.177497	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+H+Na"	23.996494
"1476285"	190.057997	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H+Na"	23.996494
"1068112"	127.04109	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2H+Na"	25.00377
"1270150"	389.152986	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+CH3OH+H"	33.033486
"390911"	751.202158	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+K"	38.963158
"753691"	1107.321658	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+K"	38.963158
"1553595"	395.082658	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+K"	38.963158
"312230"	376.104717	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+H+K"	39.970434
"706441"	554.164467	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+H+K"	39.970434
"1459573"	198.044967	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H+K"	39.970434
"248904"	754.272826	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+ACN+H"	42.033826
"1216509"	398.153326	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+ACN+H"	42.033826
"1206952"	199.580301	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+ACN+2H"	43.041102
"193627"	757.21016	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+2Na-H"	44.97116
"631000"	1113.32966	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+2Na-H"	44.97116
"1135600"	401.09066	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2Na-H"	44.97116
"178890"	379.108718	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+2Na"	45.978436
"621365"	557.168468	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+2Na"	45.978436
"1126694"	201.048968	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2Na"	45.978436
"1407301"	134.368404	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H+2Na"	46.985712
"1441972"	403.132246	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H+HCOOH"	47.012746
"232394"	384.14174	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+3H2O+2H"	56.04448
"1521188"	417.18429	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+IsoProp+H"	61.06479
"421240"	387.095688	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+Na+K"	61.952376
"779685"	565.155438	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+Na+K"	61.952376
"1678931"	209.035938	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Na+K"	61.952376
"266875"	776.254768	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+ACN+Na"	64.015768
"1238526"	420.135268	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+ACN+Na"	64.015768
"1726319"	420.158793	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+NH4+HCOOH"	64.039293
"1192766"	141.695718	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+3Na"	68.967654
"1660835"	425.114188	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Na+HCOOH"	68.994688
"169886"	789.15804	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+2K-H"	76.91904
"611641"	1145.27754	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+2K-H"	76.91904
"1095055"	433.03854	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2K-H"	76.91904
"152964"	395.082658	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"2M+2K"	77.926316
"593619"	573.142408	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"3M+2K"	77.926316
"1078132"	217.022908	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2K"	77.926316
"1111339"	435.053092	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2K+H"	78.933592
"1343350"	435.140707	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+DMSO+H"	79.021207
"1011880"	439.179876	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2ACN+H"	83.060376
"1532193"	440.173508	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+IsoProp+Na+H"	84.054008
"998642"	220.093576	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+2ACN+2H"	84.067652
"1592052"	441.088128	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+K+HCOOH"	84.968628
"1422085"	471.119638	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+H+CF3COOH"	115.000138
"1150185"	240.606851	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+3ACN+2H"	125.094202
"1701924"	488.146185	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+NH4+CF3COOH"	132.026685
"1645230"	493.10158	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+Na+CF3COOH"	136.98208
"1577601"	509.07552	"C07675"	"Pioglitazone"	"C19H20N2O3S"	"356.1195"	"M+K+CF3COOH"	152.95602
"812343"	372.1816	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M"	0
"983688"	353.16321	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-H2O-H"	-19.01839
"69748"	247.113790666667	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M-3H"	-3.021828
"507124"	371.174324	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M-3H"	-3.021828
"883832"	123.053257333333	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-3H"	-3.021828
"1314"	371.174324	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M-2H"	-2.014552
"444154"	557.265124	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M-2H"	-2.014552
"821955"	185.083524	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-2H"	-2.014552
"80857"	743.355924	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M-H"	-1.007276
"524791"	1115.537524	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M-H"	-1.007276
"899311"	371.174324	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-H"	-1.007276
"55878"	760.382471	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M-2H+NH4"	16.019271
"496535"	1132.564071	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M-2H+NH4"	16.019271
"876528"	388.200871	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-2H+NH4"	16.019271
"45160"	765.337866	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M-2H+Na"	20.974666
"485815"	1137.519466	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M-2H+Na"	20.974666
"860701"	393.156266	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-2H+Na"	20.974666
"1630233"	393.156266	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Na-2H"	20.974666
"105664"	389.162663	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M-H+Cl"	33.962126
"546322"	575.253463	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M-H+Cl"	33.962126
"937647"	203.071863	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-H+Cl"	33.962126
"280944"	779.332602	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+Cl"	34.969402
"674824"	1151.514202	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+Cl"	34.969402
"1285769"	407.151002	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Cl"	34.969402
"27960"	781.311806	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M-2H+K"	36.948606
"466424"	1153.493406	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M-2H+K"	36.948606
"847143"	409.130206	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-2H+K"	36.948606
"1570752"	409.130206	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+K-2H"	36.948606
"956693"	417.179794	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-H+HCOOH"	44.998194
"376610"	789.361401	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+HCOOH-H"	44.998201
"360255"	803.377051	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+Hac-H"	59.013851
"1505076"	431.195451	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Hac-H"	59.013851
"971530"	439.161751	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-H+NaCOOH"	66.980151
"123352"	407.151002	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+2Cl"	69.938804
"565346"	593.241802	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+2Cl"	69.938804
"1036817"	221.060202	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2Cl"	69.938804
"1254932"	451.100485	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Br"	78.918885
"1317380"	453.156472	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Cl+HCOOH"	80.974872
"1333419"	475.138429	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Cl+NaCOOH"	102.956829
"922652"	485.167186	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M-H+CF3COOH"	112.985586
"1296443"	521.143864	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Cl+CF3COOH"	148.962264
"1377885"	337.168924	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H-2H2O"	-35.012676
"1392830"	355.1789	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H-H2O"	-17.0027
"291787"	745.370476	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+H"	1.007276
"685303"	1117.552076	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+H"	1.007276
"1356184"	373.188876	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H"	1.007276
"132354"	373.188876	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+2H"	2.014552
"576657"	559.279676	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+2H"	2.014552
"1049103"	187.098076	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2H"	2.014552
"211900"	249.128342666667	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+3H"	3.021828
"652553"	373.188876	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+3H"	3.021828
"1175053"	125.067809333333	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+3H"	3.021828
"435052"	762.397023	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+NH4"	18.033823
"798600"	1134.578623	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+NH4"	18.033823
"1691285"	390.215423	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+NH4"	18.033823
"341385"	381.7021495	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+H+NH4"	19.041099
"736360"	567.7929495	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+H+NH4"	19.041099
"1486900"	195.6113495	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H+NH4"	19.041099
"400113"	767.352418	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+Na"	22.989218
"762203"	1139.534018	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+Na"	22.989218
"1607021"	395.170818	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Na"	22.989218
"321429"	384.179847	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+H+Na"	23.996494
"708382"	570.270647	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+H+Na"	23.996494
"1465487"	198.089047	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H+Na"	23.996494
"1065301"	132.395123333333	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2H+Na"	25.00377
"1270991"	405.215086	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+CH3OH+H"	33.033486
"391022"	783.326358	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+K"	38.963158
"752017"	1155.507958	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+K"	38.963158
"1554071"	411.144758	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+K"	38.963158
"312339"	392.166817	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+H+K"	39.970434
"705496"	578.257617	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+H+K"	39.970434
"1460650"	206.076017	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H+K"	39.970434
"241723"	786.397026	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+ACN+H"	42.033826
"1214430"	414.215426	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+ACN+H"	42.033826
"1199044"	207.611351	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+ACN+2H"	43.041102
"192642"	789.33436	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+2Na-H"	44.97116
"629893"	1161.51596	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+2Na-H"	44.97116
"1136074"	417.15276	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2Na-H"	44.97116
"177177"	395.170818	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+2Na"	45.978436
"621475"	581.261618	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+2Na"	45.978436
"1120972"	209.080018	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2Na"	45.978436
"1402309"	139.722437333333	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H+2Na"	46.985712
"1442445"	419.194346	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H+HCOOH"	47.012746
"232868"	400.20384	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+3H2O+2H"	56.04448
"1522754"	433.24639	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+IsoProp+H"	61.06479
"423866"	403.157788	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+Na+K"	61.952376
"779795"	589.248588	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+Na+K"	61.952376
"1681182"	217.066988	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Na+K"	61.952376
"265079"	808.378968	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+ACN+Na"	64.015768
"1239730"	436.197368	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+ACN+Na"	64.015768
"1723514"	436.220893	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+NH4+HCOOH"	64.039293
"1189961"	147.049751333333	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+3Na"	68.967654
"1664957"	441.176288	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Na+HCOOH"	68.994688
"169996"	821.28224	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+2K-H"	76.91904
"612642"	1193.46384	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+2K-H"	76.91904
"1095166"	449.10064	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2K-H"	76.91904
"149795"	411.144758	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"2M+2K"	77.926316
"588263"	597.235558	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"3M+2K"	77.926316
"1074963"	225.053958	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2K"	77.926316
"1109263"	451.115192	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2K+H"	78.933592
"1343460"	451.202807	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+DMSO+H"	79.021207
"1015271"	455.241976	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2ACN+H"	83.060376
"1534491"	456.235608	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+IsoProp+Na+H"	84.054008
"998752"	228.124626	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+2ACN+2H"	84.067652
"1594349"	457.150228	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+K+HCOOH"	84.968628
"1424383"	487.181738	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+H+CF3COOH"	115.000138
"1152483"	248.637901	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+3ACN+2H"	125.094202
"1702036"	504.208285	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+NH4+CF3COOH"	132.026685
"1645340"	509.16368	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+Na+CF3COOH"	136.98208
"1577711"	525.13762	"C07677"	"Acebutolol hydrochloride"	"C18H28N2O4HCl"	"372.1816"	"M+K+CF3COOH"	152.95602
"812453"	305.0819	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M"	0
"982705"	286.06351	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-H2O-H"	-19.01839
"69859"	202.380657333333	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M-3H"	-3.021828
"509421"	304.074624	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M-3H"	-3.021828
"888317"	100.686690666667	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-3H"	-3.021828
"6892"	304.074624	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M-2H"	-2.014552
"447545"	456.615574	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M-2H"	-2.014552
"829720"	151.533674	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-2H"	-2.014552
"84247"	609.156524	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M-H"	-1.007276
"524903"	914.238424	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M-H"	-1.007276
"900516"	304.074624	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-H"	-1.007276
"51614"	626.183071	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M-2H+NH4"	16.019271
"493364"	931.264971	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M-2H+NH4"	16.019271
"878825"	321.101171	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-2H+NH4"	16.019271
"45634"	631.138466	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M-2H+Na"	20.974666
"486413"	936.220366	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M-2H+Na"	20.974666
"862996"	326.056566	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-2H+Na"	20.974666
"1632530"	326.056566	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Na-2H"	20.974666
"108691"	322.062963	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M-H+Cl"	33.962126
"546430"	474.603913	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M-H+Cl"	33.962126
"938852"	169.522013	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-H+Cl"	33.962126
"280689"	645.133202	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+Cl"	34.969402
"675058"	950.215102	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+Cl"	34.969402
"1285514"	340.051302	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Cl"	34.969402
"26975"	647.112406	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M-2H+K"	36.948606
"468721"	952.194306	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M-2H+K"	36.948606
"846524"	342.030506	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-2H+K"	36.948606
"1571122"	342.030506	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+K-2H"	36.948606
"954616"	350.080094	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-H+HCOOH"	44.998194
"376480"	655.162001	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+HCOOH-H"	44.998201
"359632"	669.177651	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+Hac-H"	59.013851
"1505920"	364.095751	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Hac-H"	59.013851
"973098"	372.062051	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-H+NaCOOH"	66.980151
"122734"	340.051302	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+2Cl"	69.938804
"564118"	492.592252	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+2Cl"	69.938804
"1034738"	187.510352	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2Cl"	69.938804
"1256382"	384.000785	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Br"	78.918885
"1317123"	386.056772	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Cl+HCOOH"	80.974872
"1333529"	408.038729	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Cl+NaCOOH"	102.956829
"926042"	418.067486	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M-H+CF3COOH"	112.985586
"1299469"	454.044164	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Cl+CF3COOH"	148.962264
"1379816"	270.069224	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H-2H2O"	-35.012676
"1395126"	288.0792	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H-H2O"	-17.0027
"292990"	611.171076	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+H"	1.007276
"684318"	916.252976	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+H"	1.007276
"1359573"	306.089176	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H"	1.007276
"135744"	306.089176	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+2H"	2.014552
"573120"	458.630126	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+2H"	2.014552
"1046661"	153.548226	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2H"	2.014552
"212010"	204.395209333333	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+3H"	3.021828
"653757"	306.089176	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+3H"	3.021828
"1171883"	102.701242666667	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+3H"	3.021828
"430788"	628.197623	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+NH4"	18.033823
"791784"	933.279523	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+NH4"	18.033823
"1689208"	323.115723	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+NH4"	18.033823
"335299"	314.6024495	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+H+NH4"	19.041099
"734283"	467.1433995	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+H+NH4"	19.041099
"1487010"	162.0614995	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H+NH4"	19.041099
"400223"	633.153018	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+Na"	22.989218
"764500"	938.234918	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+Na"	22.989218
"1608224"	328.071118	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Na"	22.989218
"320446"	317.080147	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+H+Na"	23.996494
"707178"	469.621097	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+H+Na"	23.996494
"1464503"	164.539197	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H+Na"	23.996494
"1054468"	110.028556666667	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2H+Na"	25.00377
"1271464"	338.115386	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+CH3OH+H"	33.033486
"390765"	649.126958	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+K"	38.963158
"746657"	954.208858	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+K"	38.963158
"1555275"	344.045058	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+K"	38.963158
"313181"	325.067117	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+H+K"	39.970434
"703420"	477.608067	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+H+K"	39.970434
"1459788"	172.526167	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H+K"	39.970434
"248394"	652.197626	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+ACN+H"	42.033826
"1220009"	347.115726	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+ACN+H"	42.033826
"1200247"	174.061501	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+ACN+2H"	43.041102
"196761"	655.13496	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+2Na-H"	44.97116
"637414"	960.21686	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+2Na-H"	44.97116
"1136913"	350.05306	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2Na-H"	44.97116
"181297"	328.071118	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+2Na"	45.978436
"621585"	480.612068	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+2Na"	45.978436
"1122175"	175.530168	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2Na"	45.978436
"1402419"	117.355870666667	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H+2Na"	46.985712
"1443284"	352.094646	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H+HCOOH"	47.012746
"230791"	333.10414	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+3H2O+2H"	56.04448
"1520677"	366.14669	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+IsoProp+H"	61.06479
"422191"	336.058088	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+Na+K"	61.952376
"780269"	488.599038	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+Na+K"	61.952376
"1680616"	183.517138	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Na+K"	61.952376
"266161"	674.179568	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+ACN+Na"	64.015768
"1239963"	369.097668	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+ACN+Na"	64.015768
"1724718"	369.121193	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+NH4+HCOOH"	64.039293
"1190070"	124.683184666667	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+3Na"	68.967654
"1663245"	374.076588	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Na+HCOOH"	68.994688
"169013"	687.08284	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+2K-H"	76.91904
"612342"	992.16474	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+2K-H"	76.91904
"1095276"	382.00094	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2K-H"	76.91904
"154278"	344.045058	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"2M+2K"	77.926316
"591653"	496.586008	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"3M+2K"	77.926316
"1078353"	191.504108	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2K"	77.926316
"1109373"	384.015492	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2K+H"	78.933592
"1344663"	384.103107	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+DMSO+H"	79.021207
"1015381"	388.142276	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2ACN+H"	83.060376
"1531320"	389.135908	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+IsoProp+Na+H"	84.054008
"999954"	194.574776	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+2ACN+2H"	84.067652
"1596646"	390.050528	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+K+HCOOH"	84.968628
"1424493"	420.082038	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+H+CF3COOH"	115.000138
"1151501"	215.088051	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+3ACN+2H"	125.094202
"1702146"	437.108585	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+NH4+CF3COOH"	132.026685
"1643263"	442.06398	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+Na+CF3COOH"	136.98208
"1577821"	458.03792	"C07693"	"Fenoldopam"	"C16H16ClNO3"	"305.0819"	"M+K+CF3COOH"	152.95602
"811470"	297.949	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M"	0
"983908"	278.93061	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-H2O-H"	-19.01839
"67782"	197.625390666667	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M-3H"	-3.021828
"511719"	296.941724	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M-3H"	-3.021828
"890612"	98.3090573333333	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-3H"	-3.021828
"7001"	296.941724	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M-2H"	-2.014552
"447656"	445.916224	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M-2H"	-2.014552
"828738"	147.967224	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-2H"	-2.014552
"85451"	594.890724	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M-H"	-1.007276
"525012"	892.839724	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M-H"	-1.007276
"904636"	296.941724	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-H"	-1.007276
"48565"	611.917271	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M-2H+NH4"	16.019271
"492381"	909.866271	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M-2H+NH4"	16.019271
"878206"	313.968271	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-2H+NH4"	16.019271
"44651"	616.872666	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M-2H+Na"	20.974666
"485794"	914.821666	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M-2H+Na"	20.974666
"860922"	318.923666	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-2H+Na"	20.974666
"1631546"	318.923666	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Na-2H"	20.974666
"104792"	314.930063	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M-H+Cl"	33.962126
"546541"	463.904563	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M-H+Cl"	33.962126
"940421"	165.955563	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-H+Cl"	33.962126
"280071"	630.867402	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+Cl"	34.969402
"675291"	928.816402	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+Cl"	34.969402
"1287447"	332.918402	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Cl"	34.969402
"27086"	632.846606	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M-2H+K"	36.948606
"466646"	930.795606	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M-2H+K"	36.948606
"844447"	334.897606	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-2H+K"	36.948606
"1565748"	334.897606	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+K-2H"	36.948606
"953633"	342.947194	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-H+HCOOH"	44.998194
"374765"	640.896201	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+HCOOH-H"	44.998201
"356826"	654.911851	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+Hac-H"	59.013851
"1507122"	356.962851	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Hac-H"	59.013851
"974145"	364.929151	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-H+NaCOOH"	66.980151
"124667"	332.918402	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+2Cl"	69.938804
"564957"	481.892902	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+2Cl"	69.938804
"1034481"	183.943902	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2Cl"	69.938804
"1256246"	376.867885	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Br"	78.918885
"1317965"	378.923872	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Cl+HCOOH"	80.974872
"1332909"	400.905829	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Cl+NaCOOH"	102.956829
"925423"	410.934586	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M-H+CF3COOH"	112.985586
"1298849"	446.911264	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Cl+CF3COOH"	148.962264
"1377010"	262.936324	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H-2H2O"	-35.012676
"1395965"	280.9463	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H-H2O"	-17.0027
"290913"	596.905276	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+H"	1.007276
"682241"	894.854276	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+H"	1.007276
"1359683"	298.956276	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H"	1.007276
"135854"	298.956276	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+2H"	2.014552
"575782"	447.930776	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+2H"	2.014552
"1048958"	149.981776	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2H"	2.014552
"217224"	199.639942666667	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+3H"	3.021828
"657389"	298.956276	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+3H"	3.021828
"1173086"	100.323609333333	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+3H"	3.021828
"430898"	613.931823	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+NH4"	18.033823
"791894"	911.880823	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+NH4"	18.033823
"1690047"	315.982823	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+NH4"	18.033823
"335408"	307.4695495	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+H+NH4"	19.041099
"734393"	456.4440495	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+H+NH4"	19.041099
"1490400"	158.4950495	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H+NH4"	19.041099
"400333"	618.887218	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+Na"	22.989218
"764610"	916.836218	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+Na"	22.989218
"1605054"	320.938218	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Na"	22.989218
"320556"	309.947247	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+H+Na"	23.996494
"708965"	458.921747	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+H+Na"	23.996494
"1464978"	160.972747	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H+Na"	23.996494
"1054214"	107.650923333333	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2H+Na"	25.00377
"1271941"	330.982486	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+CH3OH+H"	33.033486
"389053"	634.861158	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+K"	38.963158
"746767"	932.810158	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+K"	38.963158
"1552106"	336.912158	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+K"	38.963158
"313291"	317.934217	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+H+K"	39.970434
"705593"	466.908717	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+H+K"	39.970434
"1459169"	168.959717	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H+K"	39.970434
"249229"	637.931826	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+ACN+H"	42.033826
"1220118"	339.982826	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+ACN+H"	42.033826
"1202909"	170.495051	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+ACN+2H"	43.041102
"195778"	640.86916	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+2Na-H"	44.97116
"637525"	938.81816	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+2Na-H"	44.97116
"1134836"	342.92016	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2Na-H"	44.97116
"178126"	320.938218	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+2Na"	45.978436
"620602"	469.912718	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+2Na"	45.978436
"1119734"	171.963718	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2Na"	45.978436
"1402529"	114.978237333333	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H+2Na"	46.985712
"1437561"	344.961746	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H+HCOOH"	47.012746
"228349"	325.97124	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+3H2O+2H"	56.04448
"1517506"	359.01379	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+IsoProp+H"	61.06479
"422301"	328.925188	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+Na+K"	61.952376
"780379"	477.899688	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+Na+K"	61.952376
"1679994"	179.950688	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Na+K"	61.952376
"265420"	659.913768	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+ACN+Na"	64.015768
"1237035"	361.964768	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+ACN+Na"	64.015768
"1722641"	361.988293	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+NH4+HCOOH"	64.039293
"1187994"	122.305551333333	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+3Na"	68.967654
"1662262"	366.943688	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Na+HCOOH"	68.994688
"168029"	672.81704	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+2K-H"	76.91904
"612331"	970.76604	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+2K-H"	76.91904
"1095385"	374.86804	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2K-H"	76.91904
"153293"	336.912158	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"2M+2K"	77.926316
"591764"	485.886658	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"3M+2K"	77.926316
"1078463"	187.937658	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2K"	77.926316
"1107295"	376.882592	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2K+H"	78.933592
"1346960"	376.970207	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+DMSO+H"	79.021207
"1013304"	381.009376	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2ACN+H"	83.060376
"1531430"	382.003008	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+IsoProp+Na+H"	84.054008
"1000064"	191.008326	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+2ACN+2H"	84.067652
"1595663"	382.917628	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+K+HCOOH"	84.968628
"1424603"	412.949138	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+H+CF3COOH"	115.000138
"1152704"	211.521601	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+3ACN+2H"	125.094202
"1702256"	429.975685	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+NH4+CF3COOH"	132.026685
"1643373"	434.93108	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+Na+CF3COOH"	136.98208
"1577931"	450.90502	"C07695"	"Sodium nitroprusside dihydrate"	"C5FeN6O2Na2H2O"	"297.949"	"M+K+CF3COOH"	152.95602
"817028"	388.1634	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M"	0
"989285"	369.14501	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-H2O-H"	-19.01839
"67891"	257.768324	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M-3H"	-3.021828
"510734"	387.156124	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M-3H"	-3.021828
"889628"	128.380524	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-3H"	-3.021828
"7111"	387.156124	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M-2H"	-2.014552
"451045"	581.237824	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M-2H"	-2.014552
"826661"	193.074424	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-2H"	-2.014552
"84468"	775.319524	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M-H"	-1.007276
"528401"	1163.482924	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M-H"	-1.007276
"902921"	387.156124	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-H"	-1.007276
"56207"	792.346071	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M-2H+NH4"	16.019271
"496865"	1180.509471	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M-2H+NH4"	16.019271
"877223"	404.182671	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-2H+NH4"	16.019271
"44398"	797.301466	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M-2H+Na"	20.974666
"484323"	1185.464866	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M-2H+Na"	20.974666
"861032"	409.138066	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-2H+Na"	20.974666
"1630563"	409.138066	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Na-2H"	20.974666
"107820"	405.144463	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M-H+Cl"	33.962126
"546652"	599.226163	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M-H+Cl"	33.962126
"939803"	211.062763	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-H+Cl"	33.962126
"280182"	811.296202	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+Cl"	34.969402
"674065"	1199.459602	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+Cl"	34.969402
"1287807"	423.132802	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Cl"	34.969402
"30603"	813.275406	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M-2H+K"	36.948606
"468943"	1201.438806	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M-2H+K"	36.948606
"845287"	425.112006	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-2H+K"	36.948606
"1567316"	425.112006	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+K-2H"	36.948606
"956297"	433.161594	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-H+HCOOH"	44.998194
"376337"	821.325001	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+HCOOH-H"	44.998201
"356936"	835.340651	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+Hac-H"	59.013851
"1506869"	447.177251	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Hac-H"	59.013851
"973320"	455.143551	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-H+NaCOOH"	66.980151
"122954"	423.132802	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+2Cl"	69.938804
"564342"	617.214502	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+2Cl"	69.938804
"1035687"	229.051102	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2Cl"	69.938804
"1255627"	467.082285	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Br"	78.918885
"1315888"	469.138272	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Cl+HCOOH"	80.974872
"1331194"	491.120229	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Cl+NaCOOH"	102.956829
"925168"	501.148986	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M-H+CF3COOH"	112.985586
"1295679"	537.125664	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Cl+CF3COOH"	148.962264
"1378943"	353.150724	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H-2H2O"	-35.012676
"1393523"	371.1607	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H-H2O"	-17.0027
"291023"	777.334076	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+H"	1.007276
"682351"	1165.497476	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+H"	1.007276
"1358700"	389.170676	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H"	1.007276
"135964"	389.170676	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+2H"	2.014552
"575162"	583.252376	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+2H"	2.014552
"1046881"	195.088976	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2H"	2.014552
"216604"	259.782876	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+3H"	3.021828
"657985"	389.170676	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+3H"	3.021828
"1169916"	130.395076	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+3H"	3.021828
"433195"	794.360623	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+NH4"	18.033823
"795284"	1182.524023	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+NH4"	18.033823
"1690521"	406.197223	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+NH4"	18.033823
"335519"	397.6839495	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+H+NH4"	19.041099
"736326"	591.7656495	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+H+NH4"	19.041099
"1490510"	203.6022495	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H+NH4"	19.041099
"400443"	799.316018	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+Na"	22.989218
"762532"	1187.479418	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+Na"	22.989218
"1615004"	411.152618	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Na"	22.989218
"320666"	400.161647	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+H+Na"	23.996494
"708710"	594.243347	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+H+Na"	23.996494
"1466911"	206.079947	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H+Na"	23.996494
"1058333"	137.72239	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2H+Na"	25.00377
"1271808"	421.196886	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+CH3OH+H"	33.033486
"389163"	815.289958	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+K"	38.963158
"746877"	1203.453358	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+K"	38.963158
"1552213"	427.126558	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+K"	38.963158
"313401"	408.148617	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+H+K"	39.970434
"705461"	602.230317	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+H+K"	39.970434
"1460008"	214.066917	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H+K"	39.970434
"247884"	818.360626	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+ACN+H"	42.033826
"1218041"	430.197226	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+ACN+H"	42.033826
"1202290"	215.602251	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+ACN+2H"	43.041102
"195888"	821.29796	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+2Na-H"	44.97116
"636542"	1209.46136	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+2Na-H"	44.97116
"1137133"	433.13456	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2Na-H"	44.97116
"178236"	411.152618	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+2Na"	45.978436
"620712"	605.234318	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+2Na"	45.978436
"1119115"	217.070918	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2Na"	45.978436
"1402639"	145.049704	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H+2Na"	46.985712
"1437671"	435.176146	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H+HCOOH"	47.012746
"227366"	416.18564	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+3H2O+2H"	56.04448
"1517616"	449.22819	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+IsoProp+H"	61.06479
"421318"	419.139588	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+Na+K"	61.952376
"780490"	613.221288	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+Na+K"	61.952376
"1679011"	225.057888	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Na+K"	61.952376
"266264"	840.342568	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+ACN+Na"	64.015768
"1237145"	452.179168	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+ACN+Na"	64.015768
"1722751"	452.202693	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+NH4+HCOOH"	64.039293
"1188104"	152.377018	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+3Na"	68.967654
"1663465"	457.158088	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Na+HCOOH"	68.994688
"170326"	853.24584	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+2K-H"	76.91904
"610618"	1241.40924	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+2K-H"	76.91904
"1094400"	465.08244	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2K-H"	76.91904
"152310"	427.126558	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"2M+2K"	77.926316
"589685"	621.208258	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"3M+2K"	77.926316
"1076385"	233.044858	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2K"	77.926316
"1106312"	467.096992	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2K+H"	78.933592
"1344884"	467.184607	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+DMSO+H"	79.021207
"1012323"	471.223776	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2ACN+H"	83.060376
"1532636"	472.217408	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+IsoProp+Na+H"	84.054008
"996895"	236.115526	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+2ACN+2H"	84.067652
"1589213"	473.132028	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+K+HCOOH"	84.968628
"1422528"	503.163538	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+H+CF3COOH"	115.000138
"1157189"	256.628801	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+3ACN+2H"	125.094202
"1704554"	520.190085	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+NH4+CF3COOH"	132.026685
"1642391"	525.14548	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+Na+CF3COOH"	136.98208
"1578041"	541.11942	"C07699"	"Nisoldipine"	"C20H24N2O6"	"388.1634"	"M+K+CF3COOH"	152.95602
"816065"	460.1765	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M"	0
"986317"	441.15811	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-H2O-H"	-19.01839
"68001"	305.777057333333	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M-3H"	-3.021828
"511937"	459.169224	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M-3H"	-3.021828
"895084"	152.384890666667	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-3H"	-3.021828
"10501"	459.169224	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M-2H"	-2.014552
"450061"	689.257474	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M-2H"	-2.014552
"830050"	229.080974	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-2H"	-2.014552
"90044"	919.345724	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M-H"	-1.007276
"530334"	1379.522224	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M-H"	-1.007276
"903031"	459.169224	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-H"	-1.007276
"56317"	936.372271	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M-2H+NH4"	16.019271
"498433"	1396.548771	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M-2H+NH4"	16.019271
"878064"	476.195771	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-2H+NH4"	16.019271
"44872"	941.327666	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M-2H+Na"	20.974666
"483341"	1401.504166	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M-2H+Na"	20.974666
"862234"	481.151166	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-2H+Na"	20.974666
"1633672"	481.151166	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Na-2H"	20.974666
"109348"	477.157563	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M-H+Cl"	33.962126
"545666"	707.245813	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M-H+Cl"	33.962126
"941735"	247.069313	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-H+Cl"	33.962126
"281384"	955.322402	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+Cl"	34.969402
"671255"	1415.498902	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+Cl"	34.969402
"1287675"	495.145902	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Cl"	34.969402
"26576"	957.301606	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M-2H+K"	36.948606
"467958"	1417.478106	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M-2H+K"	36.948606
"843573"	497.125106	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-2H+K"	36.948606
"1567061"	497.125106	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+K-2H"	36.948606
"955314"	505.174694	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-H+HCOOH"	44.998194
"376528"	965.351201	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+HCOOH-H"	44.998201
"356318"	979.366851	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+Hac-H"	59.013851
"1502597"	519.190351	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Hac-H"	59.013851
"974091"	527.156651	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-H+NaCOOH"	66.980151
"123428"	495.145902	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+2Cl"	69.938804
"564696"	725.234152	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+2Cl"	69.938804
"1034701"	265.057652	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2Cl"	69.938804
"1255373"	539.095385	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Br"	78.918885
"1316363"	541.151372	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Cl+HCOOH"	80.974872
"1333131"	563.133329	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Cl+NaCOOH"	102.956829
"924917"	573.162086	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M-H+CF3COOH"	112.985586
"1296882"	609.138764	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Cl+CF3COOH"	148.962264
"1377231"	425.163824	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H-2H2O"	-35.012676
"1392539"	443.1738	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H-H2O"	-17.0027
"291133"	921.360276	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+H"	1.007276
"682461"	1381.536776	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+H"	1.007276
"1357717"	461.183776	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H"	1.007276
"136074"	461.183776	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+2H"	2.014552
"576001"	691.272026	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+2H"	2.014552
"1048084"	231.095526	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2H"	2.014552
"215255"	307.791609333333	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+3H"	3.021828
"658095"	461.183776	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+3H"	3.021828
"1171117"	154.399442666667	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+3H"	3.021828
"431118"	938.386823	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+NH4"	18.033823
"789927"	1398.563323	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+NH4"	18.033823
"1689537"	478.210323	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+NH4"	18.033823
"332349"	469.6970495	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+H+NH4"	19.041099
"732426"	699.7852995	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+H+NH4"	19.041099
"1487340"	239.6087995	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H+NH4"	19.041099
"400553"	943.342218	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+Na"	22.989218
"762642"	1403.518718	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+Na"	22.989218
"1615114"	483.165718	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Na"	22.989218
"320776"	472.174747	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+H+Na"	23.996494
"709548"	702.262997	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+H+Na"	23.996494
"1467021"	242.086497	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H+Na"	23.996494
"1058079"	161.726756666667	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2H+Na"	25.00377
"1265229"	493.209986	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+CH3OH+H"	33.033486
"379430"	959.316158	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+K"	38.963158
"748080"	1419.492658	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+K"	38.963158
"1542476"	499.139658	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+K"	38.963158
"302203"	480.161717	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+H+K"	39.970434
"706298"	710.249967	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+H+K"	39.970434
"1459389"	250.073467	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H+K"	39.970434
"249451"	962.386826	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+ACN+H"	42.033826
"1214871"	502.210326	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+ACN+H"	42.033826
"1200942"	251.608801	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+ACN+2H"	43.041102
"199277"	965.32416	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+2Na-H"	44.97116
"635556"	1425.50066	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+2Na-H"	44.97116
"1137243"	505.14766	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2Na-H"	44.97116
"179440"	483.165718	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+2Na"	45.978436
"621915"	713.253968	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+2Na"	45.978436
"1119225"	253.077468	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2Na"	45.978436
"1405665"	169.054070666667	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H+2Na"	46.985712
"1441061"	507.189246	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H+HCOOH"	47.012746
"228569"	488.19874	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+3H2O+2H"	56.04448
"1517726"	521.24129	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+IsoProp+H"	61.06479
"422157"	491.152688	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+Na+K"	61.952376
"780235"	721.240938	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+Na+K"	61.952376
"1680213"	261.064438	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Na+K"	61.952376
"266373"	984.368768	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+ACN+Na"	64.015768
"1238348"	524.192268	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+ACN+Na"	64.015768
"1722861"	524.215793	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+NH4+HCOOH"	64.039293
"1189307"	176.381384666667	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+3Na"	68.967654
"1662481"	529.171188	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Na+HCOOH"	68.994688
"169342"	997.27204	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+2K-H"	76.91904
"610003"	1457.44854	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+2K-H"	76.91904
"1086856"	537.09554	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2K-H"	76.91904
"150233"	499.139658	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"2M+2K"	77.926316
"589794"	729.227908	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"3M+2K"	77.926316
"1073214"	269.051408	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2K"	77.926316
"1109702"	539.110092	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2K+H"	78.933592
"1342808"	539.197707	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+DMSO+H"	79.021207
"1013526"	543.236876	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2ACN+H"	83.060376
"1533839"	544.230508	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+IsoProp+Na+H"	84.054008
"997005"	272.122076	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+2ACN+2H"	84.067652
"1589323"	545.145128	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+K+HCOOH"	84.968628
"1423732"	575.176638	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+H+CF3COOH"	115.000138
"1158392"	292.635351	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+3ACN+2H"	125.094202
"1703571"	592.203185	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+NH4+CF3COOH"	132.026685
"1642501"	597.15858	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+Na+CF3COOH"	136.98208
"1579244"	613.13252	"C07701"	"Benazepril hydrochloride"	"C24H28N2O5HCl"	"460.1765"	"M+K+CF3COOH"	152.95602
"816843"	498.2366	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M"	0
"989222"	479.21821	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-H2O-H"	-19.01839
"67017"	331.150457333333	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M-3H"	-3.021828
"513140"	497.229324	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M-3H"	-3.021828
"892035"	165.071590666667	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-3H"	-3.021828
"7329"	497.229324	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M-2H"	-2.014552
"454545"	746.347624	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M-2H"	-2.014552
"827972"	248.111024	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-2H"	-2.014552
"90153"	995.465924	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M-H"	-1.007276
"532510"	1493.702524	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M-H"	-1.007276
"907514"	497.229324	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-H"	-1.007276
"49865"	1012.492471	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M-2H+NH4"	16.019271
"498177"	1510.729071	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M-2H+NH4"	16.019271
"872698"	514.255871	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-2H+NH4"	16.019271
"46076"	1017.447866	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M-2H+Na"	20.974666
"484543"	1515.684466	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M-2H+Na"	20.974666
"863196"	519.211266	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-2H+Na"	20.974666
"1632604"	519.211266	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Na-2H"	20.974666
"108770"	515.217663	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M-H+Cl"	33.962126
"543588"	764.335963	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M-H+Cl"	33.962126
"937103"	266.099363	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-H+Cl"	33.962126
"278578"	1031.442602	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+Cl"	34.969402
"671364"	1529.679202	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+Cl"	34.969402
"1288148"	533.206002	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Cl"	34.969402
"27051"	1033.421806	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M-2H+K"	36.948606
"469164"	1531.658406	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M-2H+K"	36.948606
"844776"	535.185206	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-2H+K"	36.948606
"1567172"	535.185206	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+K-2H"	36.948606
"954330"	543.234794	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-H+HCOOH"	44.998194
"375827"	1041.471401	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+HCOOH-H"	44.998201
"356428"	1055.487051	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+Hac-H"	59.013851
"1502707"	557.250451	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Hac-H"	59.013851
"972444"	565.216751	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-H+NaCOOH"	66.980151
"122808"	533.206002	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+2Cl"	69.938804
"564190"	782.324302	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+2Cl"	69.938804
"1032622"	284.087702	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2Cl"	69.938804
"1253295"	577.155485	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Br"	78.918885
"1316835"	579.211472	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Cl+HCOOH"	80.974872
"1333240"	601.193429	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Cl+NaCOOH"	102.956829
"926486"	611.222186	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M-H+CF3COOH"	112.985586
"1296992"	647.198864	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Cl+CF3COOH"	148.962264
"1378070"	463.223924	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H-2H2O"	-35.012676
"1392649"	481.2339	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H-H2O"	-17.0027
"291243"	997.480476	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+H"	1.007276
"682571"	1495.717076	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+H"	1.007276
"1357827"	499.243876	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H"	1.007276
"135092"	499.243876	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+2H"	2.014552
"575018"	748.362176	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+2H"	2.014552
"1046733"	250.125576	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2H"	2.014552
"216093"	333.165009333333	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+3H"	3.021828
"654193"	499.243876	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+3H"	3.021828
"1170133"	167.086142666667	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+3H"	3.021828
"434509"	1014.507023	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+NH4"	18.033823
"793317"	1512.743623	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+NH4"	18.033823
"1689647"	516.270423	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+NH4"	18.033823
"335739"	507.7571495	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+H+NH4"	19.041099
"733629"	756.8754495	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+H+NH4"	19.041099
"1484169"	258.6388495	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H+NH4"	19.041099
"400663"	1019.462418	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+Na"	22.989218
"762752"	1517.699018	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+Na"	22.989218
"1615224"	521.225818	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Na"	22.989218
"326352"	510.234847	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+H+Na"	23.996494
"708565"	759.353147	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+H+Na"	23.996494
"1468224"	261.116547	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H+Na"	23.996494
"1059282"	174.413456666667	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2H+Na"	25.00377
"1266432"	531.270086	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+CH3OH+H"	33.033486
"381726"	1035.436358	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+K"	38.963158
"748190"	1533.672958	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+K"	38.963158
"1545865"	537.199758	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+K"	38.963158
"305228"	518.221817	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+H+K"	39.970434
"706043"	767.340117	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+H+K"	39.970434
"1461161"	269.103517	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H+K"	39.970434
"249558"	1038.507026	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+ACN+H"	42.033826
"1211701"	540.270426	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+ACN+H"	42.033826
"1199958"	270.638851	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+ACN+2H"	43.041102
"193920"	1041.44436	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+2Na-H"	44.97116
"632386"	1539.68096	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+2Na-H"	44.97116
"1133704"	543.20776	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2Na-H"	44.97116
"179550"	521.225818	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+2Na"	45.978436
"620201"	770.344118	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+2Na"	45.978436
"1120428"	272.107518	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2Na"	45.978436
"1405774"	181.740770666667	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H+2Na"	46.985712
"1437891"	545.249346	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H+HCOOH"	47.012746
"229772"	526.25884	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+3H2O+2H"	56.04448
"1514556"	559.30139	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+IsoProp+H"	61.06479
"422632"	529.212788	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+Na+K"	61.952376
"782531"	778.331088	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+Na+K"	61.952376
"1680447"	280.094488	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Na+K"	61.952376
"266888"	1060.488968	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+ACN+Na"	64.015768
"1239187"	562.252368	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+ACN+Na"	64.015768
"1724064"	562.275893	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+NH4+HCOOH"	64.039293
"1189417"	189.068084666667	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+3Na"	68.967654
"1660403"	567.231288	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Na+HCOOH"	68.994688
"167266"	1073.39224	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+2K-H"	76.91904
"611447"	1571.62884	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+2K-H"	76.91904
"1092433"	575.15564	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2K-H"	76.91904
"150343"	537.199758	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"2M+2K"	77.926316
"589904"	786.318058	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"3M+2K"	77.926316
"1076604"	288.081458	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2K"	77.926316
"1109812"	577.170192	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2K+H"	78.933592
"1344013"	577.257807	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+DMSO+H"	79.021207
"1011450"	581.296976	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2ACN+H"	83.060376
"1530669"	582.290608	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+IsoProp+Na+H"	84.054008
"994928"	291.152126	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+2ACN+2H"	84.067652
"1587403"	583.205228	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+K+HCOOH"	84.968628
"1420562"	613.236738	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+H+CF3COOH"	115.000138
"1153035"	311.665401	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+3ACN+2H"	125.094202
"1699307"	630.263285	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+NH4+CF3COOH"	132.026685
"1642611"	635.21868	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+Na+CF3COOH"	136.98208
"1578261"	651.19262	"C07704"	"Moexipril"	"C27H34N2O7"	"498.2366"	"M+K+CF3COOH"	152.95602
"817031"	368.2311	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M"	0
"988724"	349.21271	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-H2O-H"	-19.01839
"67127"	244.480124	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M-3H"	-3.021828
"517624"	367.223824	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M-3H"	-3.021828
"892145"	121.736424	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-3H"	-3.021828
"11814"	367.223824	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M-2H"	-2.014552
"452467"	551.339374	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M-2H"	-2.014552
"828082"	183.108274	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-2H"	-2.014552
"93543"	735.454924	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M-H"	-1.007276
"532743"	1103.686024	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M-H"	-1.007276
"909455"	367.223824	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-H"	-1.007276
"55442"	752.481471	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M-2H+NH4"	16.019271
"497925"	1120.712571	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M-2H+NH4"	16.019271
"874995"	384.250371	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-2H+NH4"	16.019271
"45817"	757.436866	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M-2H+Na"	20.974666
"486108"	1125.667966	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M-2H+Na"	20.974666
"861358"	389.205766	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-2H+Na"	20.974666
"1633443"	389.205766	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Na-2H"	20.974666
"108515"	385.212163	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M-H+Cl"	33.962126
"543698"	569.327713	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M-H+Cl"	33.962126
"937942"	201.096613	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-H+Cl"	33.962126
"280145"	771.431602	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+Cl"	34.969402
"674026"	1139.662702	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+Cl"	34.969402
"1288053"	403.200502	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Cl"	34.969402
"26796"	773.410806	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M-2H+K"	36.948606
"470488"	1141.641906	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M-2H+K"	36.948606
"845616"	405.179706	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-2H+K"	36.948606
"1568377"	405.179706	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+K-2H"	36.948606
"953346"	413.229294	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-H+HCOOH"	44.998194
"376626"	781.460401	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+HCOOH-H"	44.998201
"360916"	795.476051	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+Hac-H"	59.013851
"1507195"	427.244951	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Hac-H"	59.013851
"972920"	435.211251	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-H+NaCOOH"	66.980151
"123646"	403.200502	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+2Cl"	69.938804
"564665"	587.316052	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+2Cl"	69.938804
"1032733"	219.084952	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2Cl"	69.938804
"1256810"	447.149985	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Br"	78.918885
"1318892"	449.205972	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Cl+HCOOH"	80.974872
"1332254"	471.187929	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Cl+NaCOOH"	102.956829
"925863"	481.216686	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M-H+CF3COOH"	112.985586
"1296009"	517.193364	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Cl+CF3COOH"	148.962264
"1381096"	333.218424	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H-2H2O"	-35.012676
"1392759"	351.2284	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H-H2O"	-17.0027
"291353"	737.469476	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+H"	1.007276
"682681"	1105.700576	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+H"	1.007276
"1357937"	369.238376	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H"	1.007276
"135566"	369.238376	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+2H"	2.014552
"578045"	553.353926	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+2H"	2.014552
"1048303"	185.122826	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2H"	2.014552
"216933"	246.494676	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+3H"	3.021828
"653210"	369.238376	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+3H"	3.021828
"1170243"	123.750976	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+3H"	3.021828
"437536"	754.496023	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+NH4"	18.033823
"794521"	1122.727123	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+NH4"	18.033823
"1693038"	386.264923	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+NH4"	18.033823
"339129"	377.7516495	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+H+NH4"	19.041099
"736655"	561.8671995	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+H+NH4"	19.041099
"1484279"	193.6360995	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H+NH4"	19.041099
"400773"	759.451418	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+Na"	22.989218
"762862"	1127.682518	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+Na"	22.989218
"1612053"	391.220318	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Na"	22.989218
"319902"	380.229347	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+H+Na"	23.996494
"710134"	564.344897	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+H+Na"	23.996494
"1469427"	196.113797	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H+Na"	23.996494
"1058299"	131.07829	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2H+Na"	25.00377
"1266542"	401.264586	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+CH3OH+H"	33.033486
"384022"	775.425358	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+K"	38.963158
"747207"	1143.656458	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+K"	38.963158
"1544883"	407.194258	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+K"	38.963158
"304245"	388.216317	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+H+K"	39.970434
"702145"	572.331867	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+H+K"	39.970434
"1458881"	204.100767	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H+K"	39.970434
"246750"	778.496026	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+ACN+H"	42.033826
"1213998"	410.264926	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+ACN+H"	42.033826
"1197881"	205.636101	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+ACN+2H"	43.041102
"191843"	781.43336	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+2Na-H"	44.97116
"630672"	1149.66446	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+2Na-H"	44.97116
"1132110"	413.20226	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2Na-H"	44.97116
"179296"	391.220318	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+2Na"	45.978436
"615208"	575.335868	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+2Na"	45.978436
"1120172"	207.104768	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2Na"	45.978436
"1408071"	138.405604	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H+2Na"	46.985712
"1438001"	415.243846	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H+HCOOH"	47.012746
"229882"	396.25334	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+3H2O+2H"	56.04448
"1517946"	429.29589	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+IsoProp+H"	61.06479
"422742"	399.207288	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+Na+K"	61.952376
"783370"	583.322838	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+Na+K"	61.952376
"1678611"	215.091738	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Na+K"	61.952376
"266915"	800.477968	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+ACN+Na"	64.015768
"1237475"	432.246868	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+ACN+Na"	64.015768
"1725267"	432.270393	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+NH4+HCOOH"	64.039293
"1189527"	145.732918	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+3Na"	68.967654
"1661606"	437.225788	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Na+HCOOH"	68.994688
"168468"	813.38124	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+2K-H"	76.91904
"611316"	1181.61234	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+2K-H"	76.91904
"1095824"	445.15014	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2K-H"	76.91904
"153734"	407.194258	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"2M+2K"	77.926316
"594388"	591.309808	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"3M+2K"	77.926316
"1079994"	223.078708	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2K"	77.926316
"1112109"	447.164692	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2K+H"	78.933592
"1340840"	447.252307	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+DMSO+H"	79.021207
"1013746"	451.291476	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2ACN+H"	83.060376
"1530780"	452.285108	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+IsoProp+Na+H"	84.054008
"1000505"	226.149376	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+2ACN+2H"	84.067652
"1589543"	453.199728	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+K+HCOOH"	84.968628
"1420672"	483.231238	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+H+CF3COOH"	115.000138
"1153145"	246.662651	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+3ACN+2H"	125.094202
"1701604"	500.257785	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+NH4+CF3COOH"	132.026685
"1644908"	505.21318	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+Na+CF3COOH"	136.98208
"1578371"	521.18712	"C07706"	"Perindopril"	"C19H32N2O5"	"368.2311"	"M+K+CF3COOH"	152.95602
"812020"	441.3203	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M"	0
"985554"	422.30191	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-H2O-H"	-19.01839
"68331"	293.206257333333	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M-3H"	-3.021828
"517249"	440.313024	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M-3H"	-3.021828
"891161"	146.099490666667	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-3H"	-3.021828
"14719"	440.313024	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M-2H"	-2.014552
"452577"	660.973174	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M-2H"	-2.014552
"830379"	219.652874	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-2H"	-2.014552
"91839"	881.633324	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M-H"	-1.007276
"530304"	1322.953624	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M-H"	-1.007276
"908834"	440.313024	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-H"	-1.007276
"55552"	898.659871	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M-2H+NH4"	16.019271
"499492"	1339.980171	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M-2H+NH4"	16.019271
"874012"	457.339571	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-2H+NH4"	16.019271
"43374"	903.615266	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M-2H+Na"	20.974666
"486218"	1344.935566	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M-2H+Na"	20.974666
"862561"	462.294966	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-2H+Na"	20.974666
"1632095"	462.294966	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Na-2H"	20.974666
"108260"	458.301363	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M-H+Cl"	33.962126
"543444"	678.961513	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M-H+Cl"	33.962126
"935136"	237.641213	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-H+Cl"	33.962126
"280255"	917.610002	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+Cl"	34.969402
"672676"	1358.930302	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+Cl"	34.969402
"1287756"	476.289702	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Cl"	34.969402
"27270"	919.589206	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M-2H+K"	36.948606
"469381"	1360.909506	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M-2H+K"	36.948606
"845362"	478.268906	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-2H+K"	36.948606
"1569216"	478.268906	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+K-2H"	36.948606
"955643"	486.318494	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-H+HCOOH"	44.998194
"375318"	927.638801	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+HCOOH-H"	44.998201
"361026"	941.654451	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+Hac-H"	59.013851
"1507791"	500.334151	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Hac-H"	59.013851
"973637"	508.300451	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-H+NaCOOH"	66.980151
"123758"	476.289702	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+2Cl"	69.938804
"564658"	696.949852	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+2Cl"	69.938804
"1034302"	255.629552	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2Cl"	69.938804
"1256068"	520.239185	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Br"	78.918885
"1319697"	522.295172	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Cl+HCOOH"	80.974872
"1334312"	544.277129	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Cl+NaCOOH"	102.956829
"925852"	554.305886	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M-H+CF3COOH"	112.985586
"1297212"	590.282564	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Cl+CF3COOH"	148.962264
"1380477"	406.307624	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H-2H2O"	-35.012676
"1392869"	424.3176	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H-H2O"	-17.0027
"291463"	883.647876	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+H"	1.007276
"682791"	1324.968176	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+H"	1.007276
"1358047"	442.327576	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H"	1.007276
"135311"	442.327576	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+2H"	2.014552
"577426"	662.987726	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+2H"	2.014552
"1044403"	221.667426	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2H"	2.014552
"215584"	295.220809333333	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+3H"	3.021828
"648217"	442.327576	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+3H"	3.021828
"1167073"	148.114042666667	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+3H"	3.021828
"435820"	900.674423	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+NH4"	18.033823
"795723"	1341.994723	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+NH4"	18.033823
"1689865"	459.354123	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+NH4"	18.033823
"332676"	450.8408495	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+H+NH4"	19.041099
"737129"	671.5009995	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+H+NH4"	19.041099
"1488762"	230.1806995	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H+NH4"	19.041099
"404163"	905.629818	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+Na"	22.989218
"766252"	1346.950118	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+Na"	22.989218
"1615443"	464.309518	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Na"	22.989218
"321106"	453.318547	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+H+Na"	23.996494
"711338"	673.978697	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+H+Na"	23.996494
"1464798"	232.658397	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H+Na"	23.996494
"1061689"	155.441356666667	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2H+Na"	25.00377
"1265559"	474.353786	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+CH3OH+H"	33.033486
"383039"	921.603758	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+K"	38.963158
"746221"	1362.924058	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+K"	38.963158
"1544993"	480.283458	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+K"	38.963158
"305449"	461.305517	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+H+K"	39.970434
"692765"	681.965667	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+H+K"	39.970434
"1458261"	240.645367	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H+K"	39.970434
"246863"	924.674426	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+ACN+H"	42.033826
"1214108"	483.354126	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+ACN+H"	42.033826
"1200178"	242.180701	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+ACN+2H"	43.041102
"193046"	927.61176	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+2Na-H"	44.97116
"629445"	1368.93206	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+2Na-H"	44.97116
"1134288"	486.29146	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2Na-H"	44.97116
"179403"	464.309518	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+2Na"	45.978436
"618598"	684.969668	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+2Na"	45.978436
"1125752"	243.649368	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2Na"	45.978436
"1408182"	162.768670666667	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H+2Na"	46.985712
"1441391"	488.333046	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H+HCOOH"	47.012746
"229992"	469.34254	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+3H2O+2H"	56.04448
"1520972"	502.38509	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+IsoProp+H"	61.06479
"421758"	472.296488	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+Na+K"	61.952376
"782751"	692.956638	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+Na+K"	61.952376
"1680911"	251.636338	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Na+K"	61.952376
"266701"	946.656368	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+ACN+Na"	64.015768
"1240501"	505.336068	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+ACN+Na"	64.015768
"1726471"	505.359593	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+NH4+HCOOH"	64.039293
"1193892"	170.095984666667	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+3Na"	68.967654
"1664999"	510.314988	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Na+HCOOH"	68.994688
"172754"	959.55964	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+2K-H"	76.91904
"612397"	1400.87994	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+2K-H"	76.91904
"1093748"	518.23934	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2K-H"	76.91904
"152751"	480.283458	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"2M+2K"	77.926316
"589031"	700.943608	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"3M+2K"	77.926316
"1082291"	259.623308	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2K"	77.926316
"1108939"	520.253892	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2K+H"	78.933592
"1343137"	520.341507	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+DMSO+H"	79.021207
"1011668"	524.380676	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2ACN+H"	83.060376
"1533075"	525.374308	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+IsoProp+Na+H"	84.054008
"997335"	262.693976	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+2ACN+2H"	84.067652
"1591839"	526.288928	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+K+HCOOH"	84.968628
"1420782"	556.320438	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+H+CF3COOH"	115.000138
"1156535"	283.207251	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+3ACN+2H"	125.094202
"1701714"	573.346985	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+NH4+CF3COOH"	132.026685
"1646111"	578.30238	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+Na+CF3COOH"	136.98208
"1578481"	594.27632	"C07707"	"Perindopril erbumine"	"C19H32N2O5C4H11N"	"441.3203"	"M+K+CF3COOH"	152.95602
"813223"	207.1107	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M"	0
"985664"	188.09231	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-H2O-H"	-19.01839
"69534"	137.066524	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M-3H"	-3.021828
"508001"	206.103424	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M-3H"	-3.021828
"890178"	68.029624	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-3H"	-3.021828
"9847"	206.103424	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M-2H"	-2.014552
"450500"	309.658774	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M-2H"	-2.014552
"829396"	102.548074	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-2H"	-2.014552
"91217"	413.214124	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M-H"	-1.007276
"530050"	620.324824	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M-H"	-1.007276
"908210"	206.103424	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-H"	-1.007276
"50195"	430.240671	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M-2H+NH4"	16.019271
"496314"	637.351371	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M-2H+NH4"	16.019271
"874851"	223.129971	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-2H+NH4"	16.019271
"44578"	435.196066	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M-2H+Na"	20.974666
"486694"	642.306766	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M-2H+Na"	20.974666
"862672"	228.085366	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-2H+Na"	20.974666
"1632206"	228.085366	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Na-2H"	20.974666
"108006"	224.091763	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M-H+Cl"	33.962126
"542825"	327.647113	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M-H+Cl"	33.962126
"937433"	120.536413	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-H+Cl"	33.962126
"281460"	449.190802	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+Cl"	34.969402
"674858"	656.301502	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+Cl"	34.969402
"1288035"	242.080102	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Cl"	34.969402
"27747"	451.170006	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M-2H+K"	36.948606
"470589"	658.280706	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M-2H+K"	36.948606
"846569"	244.059306	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-2H+K"	36.948606
"1570061"	244.059306	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+K-2H"	36.948606
"956847"	252.108894	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-H+HCOOH"	44.998194
"376156"	459.219601	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+HCOOH-H"	44.998201
"360653"	473.235251	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+Hac-H"	59.013851
"1507298"	266.124551	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Hac-H"	59.013851
"972773"	274.090851	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-H+NaCOOH"	66.980151
"123502"	242.080102	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+2Cl"	69.938804
"563788"	345.635452	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+2Cl"	69.938804
"1036729"	138.524752	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2Cl"	69.938804
"1256426"	286.029585	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Br"	78.918885
"1319235"	288.085572	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Cl+HCOOH"	80.974872
"1335437"	310.067529	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Cl+NaCOOH"	102.956829
"925480"	320.096286	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M-H+CF3COOH"	112.985586
"1303362"	356.072964	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Cl+CF3COOH"	148.962264
"1378037"	172.098024	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H-2H2O"	-35.012676
"1394440"	190.108	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H-H2O"	-17.0027
"290480"	415.228676	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+H"	1.007276
"681808"	622.339376	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+H"	1.007276
"1358157"	208.117976	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H"	1.007276
"135057"	208.117976	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+2H"	2.014552
"574620"	311.673326	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+2H"	2.014552
"1045242"	104.562626	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2H"	2.014552
"212778"	139.081076	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+3H"	3.021828
"650151"	208.117976	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+3H"	3.021828
"1172651"	70.044176	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+3H"	3.021828
"435929"	432.255223	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+NH4"	18.033823
"798019"	639.365923	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+NH4"	18.033823
"1692162"	225.144523	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+NH4"	18.033823
"332786"	216.6312495	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+H+NH4"	19.041099
"736144"	320.1865995	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+H+NH4"	19.041099
"1486685"	113.0758995	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H+NH4"	19.041099
"400993"	437.210618	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+Na"	22.989218
"766362"	644.321318	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+Na"	22.989218
"1615189"	230.099918	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Na"	22.989218
"324496"	219.108947	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+H+Na"	23.996494
"711448"	322.664297	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+H+Na"	23.996494
"1466730"	115.553597	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H+Na"	23.996494
"1057060"	77.37149	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2H+Na"	25.00377
"1260199"	240.144186	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+CH3OH+H"	33.033486
"378406"	453.184558	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+K"	38.963158
"740493"	660.295258	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+K"	38.963158
"1547289"	246.073858	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+K"	38.963158
"307745"	227.095917	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+H+K"	39.970434
"694698"	330.651267	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+H+K"	39.970434
"1458006"	123.540567	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H+K"	39.970434
"248065"	456.255226	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+ACN+H"	42.033826
"1217498"	249.144526	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+ACN+H"	42.033826
"1197008"	125.075901	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+ACN+2H"	43.041102
"193156"	459.19256	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+2Na-H"	44.97116
"629555"	666.30326	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+2Na-H"	44.97116
"1133670"	252.08186	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2Na-H"	44.97116
"175504"	230.099918	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+2Na"	45.978436
"616522"	333.655268	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+2Na"	45.978436
"1121489"	126.544568	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2Na"	45.978436
"1406105"	84.698804	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H+2Na"	46.985712
"1438951"	254.123446	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H+HCOOH"	47.012746
"227915"	235.13294	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+3H2O+2H"	56.04448
"1518166"	268.17549	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+IsoProp+H"	61.06479
"421869"	238.086888	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+Na+K"	61.952376
"782132"	341.642238	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+Na+K"	61.952376
"1677370"	134.531538	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Na+K"	61.952376
"266445"	478.237168	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+ACN+Na"	64.015768
"1237695"	271.126468	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+ACN+Na"	64.015768
"1724394"	271.149993	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+NH4+HCOOH"	64.039293
"1189748"	92.026118	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+3Na"	68.967654
"1661827"	276.105388	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Na+HCOOH"	68.994688
"170876"	491.14044	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+2K-H"	76.91904
"610078"	698.25114	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+2K-H"	76.91904
"1096045"	284.02974	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2K-H"	76.91904
"149581"	246.073858	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"2M+2K"	77.926316
"586954"	349.629208	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"3M+2K"	77.926316
"1076934"	142.518508	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2K"	77.926316
"1105768"	286.044292	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2K+H"	78.933592
"1343246"	286.131907	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+DMSO+H"	79.021207
"1011775"	290.171076	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2ACN+H"	83.060376
"1535371"	291.164708	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+IsoProp+Na+H"	84.054008
"996351"	145.589176	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+2ACN+2H"	84.067652
"1595229"	292.079328	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+K+HCOOH"	84.968628
"1419796"	322.110838	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+H+CF3COOH"	115.000138
"1152271"	166.102451	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+3ACN+2H"	125.094202
"1709476"	339.137385	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+NH4+CF3COOH"	132.026685
"1645126"	344.09278	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+Na+CF3COOH"	136.98208
"1578591"	360.06672	"C07708"	"Miglitol"	"C8H17NO5"	"207.1107"	"M+K+CF3COOH"	152.95602
"812240"	610.254	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M"	0
"985774"	591.23561	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-H2O-H"	-19.01839
"67458"	405.828724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M-3H"	-3.021828
"509205"	609.246724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M-3H"	-3.021828
"890288"	202.410724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-3H"	-3.021828
"9957"	609.246724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M-2H"	-2.014552
"450610"	914.373724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M-2H"	-2.014552
"829506"	304.119724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-2H"	-2.014552
"91935"	1219.500724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M-H"	-1.007276
"532102"	1829.754724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M-H"	-1.007276
"908325"	609.246724	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-H"	-1.007276
"54679"	1236.527271	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M-2H+NH4"	16.019271
"492050"	1846.781271	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M-2H+NH4"	16.019271
"874961"	626.273271	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-2H+NH4"	16.019271
"46637"	1241.482666	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M-2H+Na"	20.974666
"486450"	1851.736666	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M-2H+Na"	20.974666
"863636"	631.228666	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-2H+Na"	20.974666
"1633903"	631.228666	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Na-2H"	20.974666
"109334"	627.235063	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M-H+Cl"	33.962126
"549854"	932.362063	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M-H+Cl"	33.962126
"941802"	322.108063	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-H+Cl"	33.962126
"282180"	1255.477402	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+Cl"	34.969402
"675458"	1865.731402	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+Cl"	34.969402
"1287374"	645.223402	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Cl"	34.969402
"29923"	1257.456606	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M-2H+K"	36.948606
"470951"	1867.710606	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M-2H+K"	36.948606
"847901"	647.202606	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-2H+K"	36.948606
"1570297"	647.202606	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+K-2H"	36.948606
"955866"	655.252194	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-H+HCOOH"	44.998194
"376515"	1265.506201	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+HCOOH-H"	44.998201
"360399"	1279.521851	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+Hac-H"	59.013851
"1507166"	669.267851	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Hac-H"	59.013851
"973493"	677.234151	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-H+NaCOOH"	66.980151
"125670"	645.223402	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+2Cl"	69.938804
"565572"	950.350402	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+2Cl"	69.938804
"1036882"	340.096402	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2Cl"	69.938804
"1256049"	689.172885	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Br"	78.918885
"1319762"	691.228872	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Cl+HCOOH"	80.974872
"1335605"	713.210829	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Cl+NaCOOH"	102.956829
"927037"	723.239586	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M-H+CF3COOH"	112.985586
"1303273"	759.216264	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Cl+CF3COOH"	148.962264
"1378511"	575.241324	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H-2H2O"	-35.012676
"1398078"	593.2513	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H-H2O"	-17.0027
"293873"	1221.515276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+H"	1.007276
"680824"	1831.769276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+H"	1.007276
"1357173"	611.261276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H"	1.007276
"135530"	611.261276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+2H"	2.014552
"575459"	916.388276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+2H"	2.014552
"1045716"	306.134276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2H"	2.014552
"215440"	407.843276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+3H"	3.021828
"653541"	611.261276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+3H"	3.021828
"1172397"	204.425276	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+3H"	3.021828
"438955"	1238.541823	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+NH4"	18.033823
"800683"	1848.795823	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+NH4"	18.033823
"1695189"	628.287823	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+NH4"	18.033823
"342736"	619.7745495	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+H+NH4"	19.041099
"735890"	924.9015495	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+H+NH4"	19.041099
"1490440"	314.6475495	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H+NH4"	19.041099
"401103"	1243.497218	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+Na"	22.989218
"763192"	1853.751218	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+Na"	22.989218
"1615664"	633.243218	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Na"	22.989218
"325700"	622.252247	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+H+Na"	23.996494
"715934"	927.379247	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+H+Na"	23.996494
"1468662"	317.125247	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H+Na"	23.996494
"1058627"	211.75259	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2H+Na"	25.00377
"1264681"	643.287486	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+CH3OH+H"	33.033486
"379244"	1259.471158	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+K"	38.963158
"740604"	1869.725158	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+K"	38.963158
"1547399"	649.217158	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+K"	38.963158
"307855"	630.239217	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+H+K"	39.970434
"692985"	935.366217	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+H+K"	39.970434
"1458479"	325.112217	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H+K"	39.970434
"248541"	1262.541826	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+ACN+H"	42.033826
"1210719"	652.287826	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+ACN+H"	42.033826
"1196022"	326.647551	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+ACN+2H"	43.041102
"198735"	1265.47916	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+2Na-H"	44.97116
"637199"	1875.73316	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+2Na-H"	44.97116
"1140707"	655.22516	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2Na-H"	44.97116
"175979"	633.243218	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+2Na"	45.978436
"618455"	938.370218	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+2Na"	45.978436
"1122692"	328.116218	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2Na"	45.978436
"1405121"	219.079904	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H+2Na"	46.985712
"1435415"	657.266746	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H+HCOOH"	47.012746
"226931"	638.27624	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+3H2O+2H"	56.04448
"1514995"	671.31879	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+IsoProp+H"	61.06479
"412497"	641.230188	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+Na+K"	61.952376
"782242"	946.357188	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+Na+K"	61.952376
"1679670"	336.103188	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Na+K"	61.952376
"265829"	1284.523768	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+ACN+Na"	64.015768
"1236711"	674.269768	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+ACN+Na"	64.015768
"1724504"	674.293293	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+NH4+HCOOH"	64.039293
"1192044"	226.407218	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+3Na"	68.967654
"1663031"	679.248688	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Na+HCOOH"	68.994688
"170985"	1297.42704	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+2K-H"	76.91904
"609826"	1907.68104	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+2K-H"	76.91904
"1093968"	687.17304	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2K-H"	76.91904
"150784"	649.217158	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"2M+2K"	77.926316
"591438"	954.344158	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"3M+2K"	77.926316
"1074857"	344.090158	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2K"	77.926316
"1105878"	689.187592	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2K+H"	78.933592
"1342264"	689.275207	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+DMSO+H"	79.021207
"1014074"	693.314376	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2ACN+H"	83.060376
"1531107"	694.308008	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+IsoProp+Na+H"	84.054008
"996461"	347.160826	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+2ACN+2H"	84.067652
"1593152"	695.222628	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+K+HCOOH"	84.968628
"1419906"	725.254138	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+H+CF3COOH"	115.000138
"1149101"	367.674101	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+3ACN+2H"	125.094202
"1708494"	742.280685	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+NH4+CF3COOH"	132.026685
"1646332"	747.23608	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+Na+CF3COOH"	136.98208
"1578699"	763.21002	"C07709"	"Candesartan cilexetil"	"C33H34N6O6"	"610.254"	"M+K+CF3COOH"	152.95602
"813443"	514.2369	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M"	0
"986977"	495.21851	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-H2O-H"	-19.01839
"63921"	341.817324	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M-3H"	-3.021828
"508221"	513.229624	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M-3H"	-3.021828
"886023"	170.405024	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-3H"	-3.021828
"7880"	513.229624	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M-2H"	-2.014552
"448533"	770.348074	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M-2H"	-2.014552
"829616"	256.111174	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-2H"	-2.014552
"92526"	1027.466524	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M-H"	-1.007276
"529170"	1541.703424	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M-H"	-1.007276
"908431"	513.229624	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-H"	-1.007276
"51509"	1044.493071	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M-2H+NH4"	16.019271
"490095"	1558.729971	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M-2H+NH4"	16.019271
"871060"	530.256171	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-2H+NH4"	16.019271
"44064"	1049.448466	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M-2H+Na"	20.974666
"479614"	1563.685366	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M-2H+Na"	20.974666
"863869"	535.211566	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-2H+Na"	20.974666
"1633527"	535.211566	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Na-2H"	20.974666
"109196"	531.217963	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M-H+Cl"	33.962126
"549366"	788.336413	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M-H+Cl"	33.962126
"940569"	274.099513	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-H+Cl"	33.962126
"282168"	1063.443202	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+Cl"	34.969402
"674962"	1577.680102	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+Cl"	34.969402
"1287607"	549.206302	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Cl"	34.969402
"29790"	1065.422406	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M-2H+K"	36.948606
"470858"	1579.659306	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M-2H+K"	36.948606
"848133"	551.185506	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-2H+K"	36.948606
"1569554"	551.185506	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+K-2H"	36.948606
"957067"	559.235094	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-H+HCOOH"	44.998194
"376012"	1073.472001	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+HCOOH-H"	44.998201
"360749"	1087.487651	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+Hac-H"	59.013851
"1508124"	573.250751	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Hac-H"	59.013851
"972996"	581.217051	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-H+NaCOOH"	66.980151
"125025"	549.206302	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+2Cl"	69.938804
"564743"	806.324752	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+2Cl"	69.938804
"1036745"	292.087852	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2Cl"	69.938804
"1256156"	593.155785	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Br"	78.918885
"1319622"	595.211772	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Cl+HCOOH"	80.974872
"1334887"	617.193729	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Cl+NaCOOH"	102.956829
"926552"	627.222486	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M-H+CF3COOH"	112.985586
"1303135"	663.199164	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Cl+CF3COOH"	148.962264
"1378621"	479.224224	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H-2H2O"	-35.012676
"1394295"	497.2342	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H-H2O"	-17.0027
"293983"	1029.481076	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+H"	1.007276
"680934"	1543.717976	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+H"	1.007276
"1357283"	515.244176	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H"	1.007276
"134911"	515.244176	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+2H"	2.014552
"577756"	772.362626	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+2H"	2.014552
"1045826"	258.125726	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2H"	2.014552
"216278"	343.831876	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+3H"	3.021828
"654745"	515.244176	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+3H"	3.021828
"1172871"	172.419576	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+3H"	3.021828
"437243"	1046.507623	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+NH4"	18.033823
"800065"	1560.744523	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+NH4"	18.033823
"1695299"	532.270723	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+NH4"	18.033823
"342846"	523.7574495	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+H+NH4"	19.041099
"735271"	780.8758995	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+H+NH4"	19.041099
"1490914"	266.6389995	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H+NH4"	19.041099
"401213"	1051.463018	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+Na"	22.989218
"763302"	1565.699918	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+Na"	22.989218
"1614681"	537.226118	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Na"	22.989218
"322529"	526.235147	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+H+Na"	23.996494
"713857"	783.353597	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+H+Na"	23.996494
"1467679"	269.116697	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H+Na"	23.996494
"1058737"	179.74689	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2H+Na"	25.00377
"1261511"	547.270386	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+CH3OH+H"	33.033486
"380448"	1067.436958	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+K"	38.963158
"741077"	1581.673858	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+K"	38.963158
"1546416"	553.200058	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+K"	38.963158
"306872"	534.222117	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+H+K"	39.970434
"693095"	791.340567	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+H+K"	39.970434
"1455308"	277.103667	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H+K"	39.970434
"248286"	1070.507626	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+ACN+H"	42.033826
"1212977"	556.270726	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+ACN+H"	42.033826
"1196860"	278.639001	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+ACN+2H"	43.041102
"198845"	1073.44496	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+2Na-H"	44.97116
"637673"	1587.68186	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+2Na-H"	44.97116
"1140817"	559.20806	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2Na-H"	44.97116
"174630"	537.226118	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+2Na"	45.978436
"619657"	794.344568	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+2Na"	45.978436
"1121343"	280.107668	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2Na"	45.978436
"1406325"	187.074204	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H+2Na"	46.985712
"1433337"	561.249646	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H+HCOOH"	47.012746
"227041"	542.25914	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+3H2O+2H"	56.04448
"1513283"	575.30169	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+IsoProp+H"	61.06479
"409323"	545.213088	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+Na+K"	61.952376
"780165"	802.331538	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+Na+K"	61.952376
"1677588"	288.094638	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Na+K"	61.952376
"265575"	1092.489568	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+ACN+Na"	64.015768
"1237914"	578.252668	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+ACN+Na"	64.015768
"1725707"	578.276193	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+NH4+HCOOH"	64.039293
"1192883"	194.401518	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+3Na"	68.967654
"1664233"	583.231588	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Na+HCOOH"	68.994688
"170002"	1105.39284	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+2K-H"	76.91904
"610300"	1619.62974	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+2K-H"	76.91904
"1094078"	591.15594	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2K-H"	76.91904
"150894"	553.200058	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"2M+2K"	77.926316
"589361"	810.318508	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"3M+2K"	77.926316
"1073874"	296.081608	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2K"	77.926316
"1105988"	593.170492	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2K+H"	78.933592
"1342374"	593.258107	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+DMSO+H"	79.021207
"1014184"	597.297276	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2ACN+H"	83.060376
"1531217"	598.290908	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+IsoProp+Na+H"	84.054008
"996570"	299.152276	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+2ACN+2H"	84.067652
"1593262"	599.205528	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+K+HCOOH"	84.968628
"1418923"	629.237038	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+H+CF3COOH"	115.000138
"1149211"	319.665551	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+3ACN+2H"	125.094202
"1710427"	646.263585	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+NH4+CF3COOH"	132.026685
"1648628"	651.21898	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+Na+CF3COOH"	136.98208
"1578809"	667.19292	"C07710"	"Telmisartan"	"C33H30N4O2"	"514.2369"	"M+K+CF3COOH"	152.95602
"801574"	384.3392	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M"	0
"975053"	365.32081	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-H2O-H"	-19.01839
"62976"	255.218857333333	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M-3H"	-3.021828
"508331"	383.331924	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M-3H"	-3.021828
"883946"	127.105790666667	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-3H"	-3.021828
"6894"	383.331924	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M-2H"	-2.014552
"440106"	575.501524	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M-2H"	-2.014552
"817568"	191.162324	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-2H"	-2.014552
"84249"	767.671124	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M-H"	-1.007276
"528185"	1152.010324	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M-H"	-1.007276
"900518"	383.331924	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-H"	-1.007276
"53801"	784.697671	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M-2H+NH4"	16.019271
"494458"	1169.036871	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M-2H+NH4"	16.019271
"865819"	400.358471	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-2H+NH4"	16.019271
"35789"	789.653066	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M-2H+Na"	20.974666
"472794"	1173.992266	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M-2H+Na"	20.974666
"860811"	405.313866	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-2H+Na"	20.974666
"1630344"	405.313866	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Na-2H"	20.974666
"105779"	401.320263	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M-H+Cl"	33.962126
"548256"	593.489863	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M-H+Cl"	33.962126
"942462"	209.150663	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-H+Cl"	33.962126
"281423"	803.647802	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+Cl"	34.969402
"675233"	1187.987002	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+Cl"	34.969402
"1288424"	419.308602	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Cl"	34.969402
"30794"	805.627006	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M-2H+K"	36.948606
"470919"	1189.966206	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M-2H+K"	36.948606
"847990"	421.287806	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-2H+K"	36.948606
"1570746"	421.287806	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+K-2H"	36.948606
"956444"	429.337394	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-H+HCOOH"	44.998194
"374663"	813.676601	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+HCOOH-H"	44.998201
"358184"	827.692251	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+Hac-H"	59.013851
"1506652"	443.353051	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Hac-H"	59.013851
"971642"	451.319351	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-H+NaCOOH"	66.980151
"123100"	419.308602	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+2Cl"	69.938804
"564850"	611.478202	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+2Cl"	69.938804
"1035835"	227.139002	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2Cl"	69.938804
"1256023"	463.258085	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Br"	78.918885
"1318712"	465.314072	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Cl+HCOOH"	80.974872
"1333167"	487.296029	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Cl+NaCOOH"	102.956829
"924226"	497.324786	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M-H+CF3COOH"	112.985586
"1300931"	533.301464	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Cl+CF3COOH"	148.962264
"1373626"	349.326524	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H-2H2O"	-35.012676
"1390028"	367.3365	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H-H2O"	-17.0027
"285337"	769.685676	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+H"	1.007276
"682133"	1154.024876	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+H"	1.007276
"1356294"	385.346476	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H"	1.007276
"128455"	385.346476	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+2H"	2.014552
"569840"	577.516076	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+2H"	2.014552
"1045934"	193.176876	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2H"	2.014552
"213106"	257.233409333333	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+3H"	3.021828
"653397"	385.346476	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+3H"	3.021828
"1166421"	129.120342666667	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+3H"	3.021828
"434799"	786.712223	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+NH4"	18.033823
"796160"	1171.051423	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+NH4"	18.033823
"1693585"	402.373023	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+NH4"	18.033823
"339676"	393.8597495	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+H+NH4"	19.041099
"731008"	586.0293495	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+H+NH4"	19.041099
"1487016"	201.6901495	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H+NH4"	19.041099
"399136"	791.667618	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+Na"	22.989218
"761225"	1176.006818	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+Na"	22.989218
"1605313"	407.328418	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Na"	22.989218
"316442"	396.337447	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+H+Na"	23.996494
"709225"	588.507047	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+H+Na"	23.996494
"1461326"	204.167847	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H+Na"	23.996494
"1052925"	136.447656666667	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2H+Na"	25.00377
"1257362"	417.372686	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+CH3OH+H"	33.033486
"377309"	807.641558	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+K"	38.963158
"738620"	1191.980758	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+K"	38.963158
"1541783"	423.302358	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+K"	38.963158
"298611"	404.324417	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+H+K"	39.970434
"692474"	596.494017	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+H+K"	39.970434
"1455418"	212.154817	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H+K"	39.970434
"245115"	810.712226	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+ACN+H"	42.033826
"1213816"	426.373026	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+ACN+H"	42.033826
"1196970"	213.690151	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+ACN+2H"	43.041102
"197861"	813.64956	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+2Na-H"	44.97116
"637783"	1197.98876	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+2Na-H"	44.97116
"1140926"	429.31036	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2Na-H"	44.97116
"178385"	407.328418	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+2Na"	45.978436
"617944"	599.498018	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+2Na"	45.978436
"1123276"	215.158818	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2Na"	45.978436
"1406435"	143.774970666667	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H+2Na"	46.985712
"1434540"	431.351946	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H+HCOOH"	47.012746
"226422"	412.36144	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+3H2O+2H"	56.04448
"1515215"	445.40399	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+IsoProp+H"	61.06479
"411255"	415.315388	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+Na+K"	61.952376
"780275"	607.484988	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+Na+K"	61.952376
"1673325"	223.145788	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Na+K"	61.952376
"263130"	832.694168	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+ACN+Na"	64.015768
"1232555"	448.354968	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+ACN+Na"	64.015768
"1726908"	448.378493	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+NH4+HCOOH"	64.039293
"1192629"	151.102284666667	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+3Na"	68.967654
"1658876"	453.333888	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Na+HCOOH"	68.994688
"170112"	845.59744	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+2K-H"	76.91904
"612350"	1229.93664	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+2K-H"	76.91904
"1094188"	461.25824	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2K-H"	76.91904
"151004"	423.302358	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"2M+2K"	77.926316
"589471"	615.471958	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"3M+2K"	77.926316
"1071796"	231.132758	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2K"	77.926316
"1105004"	463.272792	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2K+H"	78.933592
"1345763"	463.360407	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+DMSO+H"	79.021207
"1012106"	467.399576	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2ACN+H"	83.060376
"1525858"	468.393208	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+IsoProp+Na+H"	84.054008
"996680"	234.203426	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+2ACN+2H"	84.067652
"1594464"	469.307828	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+K+HCOOH"	84.968628
"1423406"	499.339338	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+H+CF3COOH"	115.000138
"1150778"	254.716701	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+3ACN+2H"	125.094202
"1706526"	516.365885	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+NH4+CF3COOH"	132.026685
"1648737"	521.32128	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+Na+CF3COOH"	136.98208
"1578919"	537.29522	"C07711"	"Previtamin D(3);Previtamin D3"	"C27H44O"	"384.3392"	"M+K+CF3COOH"	152.95602
"803819"	416.329	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M"	0
"976256"	397.31061	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"63132"	276.545390666667	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"505161"	415.321724	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"885147"	137.769057333333	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"5911"	415.321724	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"440197"	623.486224	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"817188"	207.157224	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"83266"	831.650724	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"521734"	1247.979724	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"897347"	415.321724	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"51724"	848.677271	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"495658"	1265.006271	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"865199"	432.348271	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"36992"	853.632666	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"472420"	1269.961666	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"857638"	437.303666	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1630454"	437.303666	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"104795"	433.310063	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"547273"	641.474563	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"941883"	225.145563	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"281410"	867.627402	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"675572"	1283.956402	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1287978"	451.298402	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"31279"	869.606606	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"467742"	1285.935606	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"848262"	453.277606	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1570412"	453.277606	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"954731"	461.327194	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"375624"	877.656201	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"358294"	891.671851	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1508317"	475.342851	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"971752"	483.309151	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"122846"	451.298402	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"562773"	659.462902	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1034121"	243.133902	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1255523"	495.247885	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1318333"	497.303872	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1334369"	519.285829	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"921054"	529.314586	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1297760"	565.291264	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1374828"	381.316324	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1391230"	399.3263	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"285444"	833.665276	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"678962"	1249.994276	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1355311"	417.336276	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"128321"	417.336276	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"571043"	625.500776	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1045315"	209.171776	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"215039"	278.559942666667	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"650591"	417.336276	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1166531"	139.783609333333	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"431993"	850.691823	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"795177"	1267.020823	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1694788"	434.362823	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"339786"	425.8495495	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"728931"	634.0140495	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1487126"	217.6850495	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"401431"	855.647218	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"762428"	1271.976218	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1606152"	439.318218	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"315823"	428.327247	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"707752"	636.491747	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1461811"	220.162747	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1053033"	147.110923333333	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1257951"	449.362486	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"377415"	871.621158	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"738855"	1287.950158	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1540433"	455.292158	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"298688"	436.314217	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"691853"	644.478717	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1453334"	228.149717	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"247046"	874.691826	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1213198"	458.362826	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1197809"	229.685051	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"196878"	877.62916	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"636071"	1293.95816	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1141036"	461.30016	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"179224"	439.318218	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"617690"	647.482718	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1121929"	231.153718	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1402899"	154.438237333333	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1433922"	463.341746	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"224345"	444.35124	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1513138"	477.39379	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"410638"	447.305188	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"776009"	655.469688	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1673435"	239.140688	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"259954"	896.673768	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1232665"	480.344768	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1723738"	480.368293	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1191280"	161.765551333333	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1660079"	485.323688	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"165848"	909.57704	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"610878"	1325.90604	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1093204"	493.24804	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"152207"	455.292158	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"589581"	663.456658	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1070934"	247.127658	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1104021"	495.262592	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1344780"	495.350207	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1010029"	499.389376	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1525968"	500.383008	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"995697"	250.198326	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1591294"	501.297628	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1424609"	531.329138	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1150887"	270.711601	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1706636"	548.355685	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1648847"	553.31108	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1579029"	569.28502	"C07712"	"Secalciferol;24(R)25-Dihydroxyvitamin D3;(24R)25-Dihydroxyvitamin D3;(3S5Z7E24R)-910-Secocholesta-5710-triene-32425-triol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"814871"	360.1321	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M"	0
"988404"	341.11371	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-H2O-H"	-19.01839
"63516"	239.080790666667	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M-3H"	-3.021828
"503445"	359.124824	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M-3H"	-3.021828
"883073"	119.036757333333	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-3H"	-3.021828
"6021"	359.124824	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M-2H"	-2.014552
"440719"	539.190874	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M-2H"	-2.014552
"822291"	179.058774	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-2H"	-2.014552
"87751"	719.256924	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M-H"	-1.007276
"526219"	1079.389024	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M-H"	-1.007276
"904020"	359.124824	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-H"	-1.007276
"47944"	736.283471	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M-2H+NH4"	16.019271
"487873"	1096.415571	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M-2H+NH4"	16.019271
"868105"	376.151371	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-2H+NH4"	16.019271
"39291"	741.238866	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M-2H+Na"	20.974666
"479944"	1101.370966	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M-2H+Na"	20.974666
"857751"	381.106766	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-2H+Na"	20.974666
"1627282"	381.106766	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Na-2H"	20.974666
"106000"	377.113163	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M-H+Cl"	33.962126
"545925"	557.179213	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M-H+Cl"	33.962126
"940898"	197.047113	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-H+Cl"	33.962126
"281036"	755.233602	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+Cl"	34.969402
"675120"	1115.365702	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+Cl"	34.969402
"1287200"	395.101502	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Cl"	34.969402
"30607"	757.212806	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M-2H+K"	36.948606
"470655"	1117.344906	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M-2H+K"	36.948606
"847969"	397.080706	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-2H+K"	36.948606
"1570238"	397.080706	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+K-2H"	36.948606
"955934"	405.130294	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-H+HCOOH"	44.998194
"374150"	765.262401	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+HCOOH-H"	44.998201
"359861"	779.278051	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+Hac-H"	59.013851
"1506509"	419.145951	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Hac-H"	59.013851
"968582"	427.112251	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-H+NaCOOH"	66.980151
"123685"	395.101502	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+2Cl"	69.938804
"563246"	575.167552	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+2Cl"	69.938804
"1034593"	215.035452	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2Cl"	69.938804
"1254907"	439.050985	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Br"	78.918885
"1318445"	441.106972	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Cl+HCOOH"	80.974872
"1333388"	463.088929	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Cl+NaCOOH"	102.956829
"920070"	473.117686	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M-H+CF3COOH"	112.985586
"1301519"	509.094364	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Cl+CF3COOH"	148.962264
"1378219"	325.119424	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H-2H2O"	-35.012676
"1389152"	343.1294	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H-H2O"	-17.0027
"289932"	721.271476	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+H"	1.007276
"684542"	1081.403576	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+H"	1.007276
"1355422"	361.139376	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H"	1.007276
"131592"	361.139376	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+2H"	2.014552
"570057"	541.205426	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+2H"	2.014552
"1045424"	181.073326	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2H"	2.014552
"217340"	241.095342666667	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+3H"	3.021828
"656168"	361.139376	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+3H"	3.021828
"1173201"	121.051309333333	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+3H"	3.021828
"439159"	738.298023	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+NH4"	18.033823
"797478"	1098.430123	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+NH4"	18.033823
"1694175"	378.165923	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+NH4"	18.033823
"340993"	369.6526495	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+H+NH4"	19.041099
"735969"	549.7186995	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+H+NH4"	19.041099
"1486144"	189.5865995	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H+NH4"	19.041099
"400452"	743.253418	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+Na"	22.989218
"757800"	1103.385518	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+Na"	22.989218
"1609543"	383.121318	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Na"	22.989218
"320671"	372.130347	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+H+Na"	23.996494
"709081"	552.196397	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+H+Na"	23.996494
"1463996"	192.064297	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H+Na"	23.996494
"1053230"	128.378623333333	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2H+Na"	25.00377
"1262932"	393.165586	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+CH3OH+H"	33.033486
"378222"	759.227358	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+K"	38.963158
"738810"	1119.359458	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+K"	38.963158
"1542003"	399.095258	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+K"	38.963158
"305015"	380.117317	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+H+K"	39.970434
"699626"	560.183367	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+H+K"	39.970434
"1457821"	200.051267	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H+K"	39.970434
"249714"	762.298026	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+ACN+H"	42.033826
"1222787"	402.165926	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+ACN+H"	42.033826
"1199745"	201.586601	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+ACN+2H"	43.041102
"193343"	765.23536	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+2Na-H"	44.97116
"633269"	1125.36746	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+2Na-H"	44.97116
"1137870"	405.10326	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2Na-H"	44.97116
"176418"	383.121318	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+2Na"	45.978436
"613791"	563.187368	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+2Na"	45.978436
"1121307"	203.055268	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2Na"	45.978436
"1403375"	135.705937333333	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H+2Na"	46.985712
"1438770"	407.144846	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H+HCOOH"	47.012746
"225186"	388.15434	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+3H2O+2H"	56.04448
"1514705"	421.19689	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+IsoProp+H"	61.06479
"421686"	391.108288	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+Na+K"	61.952376
"775025"	571.174338	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+Na+K"	61.952376
"1671356"	211.042238	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Na+K"	61.952376
"262254"	784.279968	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+ACN+Na"	64.015768
"1238971"	424.147868	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+ACN+Na"	64.015768
"1722754"	424.171393	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+NH4+HCOOH"	64.039293
"1184099"	143.033251333333	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+3Na"	68.967654
"1661284"	429.126788	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Na+HCOOH"	68.994688
"168150"	797.18324	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+2K-H"	76.91904
"610260"	1157.31534	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+2K-H"	76.91904
"1096597"	437.05114	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2K-H"	76.91904
"151590"	399.095258	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"2M+2K"	77.926316
"584588"	579.161308	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"3M+2K"	77.926316
"1073110"	219.029208	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2K"	77.926316
"1103038"	439.065692	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2K+H"	78.933592
"1339423"	439.153307	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+DMSO+H"	79.021207
"1007955"	443.192476	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2ACN+H"	83.060376
"1526077"	444.186108	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+IsoProp+Na+H"	84.054008
"990340"	222.099876	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+2ACN+2H"	84.067652
"1588125"	445.100728	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+K+HCOOH"	84.968628
"1417066"	475.132238	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+H+CF3COOH"	115.000138
"1151727"	242.613151	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+3ACN+2H"	125.094202
"1704561"	492.158785	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+NH4+CF3COOH"	132.026685
"1646771"	497.11418	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+Na+CF3COOH"	136.98208
"1579141"	513.08812	"C07713"	"Nitrendipine"	"C18H20N2O6"	"360.1321"	"M+K+CF3COOH"	152.95602
"802216"	191.043	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M"	0
"987421"	172.02461	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-H2O-H"	-19.01839
"62967"	126.354724	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M-3H"	-3.021828
"503679"	190.035724	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M-3H"	-3.021828
"881117"	62.673724	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-3H"	-3.021828
"5037"	190.035724	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M-2H"	-2.014552
"440343"	285.557224	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M-2H"	-2.014552
"820214"	94.514224	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-2H"	-2.014552
"85673"	381.078724	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M-H"	-1.007276
"518791"	572.121724	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M-H"	-1.007276
"898662"	190.035724	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-H"	-1.007276
"47358"	398.105271	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M-2H+NH4"	16.019271
"488466"	589.148271	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M-2H+NH4"	16.019271
"865661"	207.062271	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-2H+NH4"	16.019271
"39401"	403.060666	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M-2H+Na"	20.974666
"481147"	594.103666	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M-2H+Na"	20.974666
"860047"	212.017666	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-2H+Na"	20.974666
"1627392"	212.017666	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Na-2H"	20.974666
"105014"	208.024063	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M-H+Cl"	33.962126
"547492"	303.545563	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M-H+Cl"	33.962126
"939186"	112.502563	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-H+Cl"	33.962126
"279929"	417.055402	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+Cl"	34.969402
"674542"	608.098402	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+Cl"	34.969402
"1286942"	226.012402	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Cl"	34.969402
"30107"	419.034606	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M-2H+K"	36.948606
"470518"	610.077606	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M-2H+K"	36.948606
"846495"	227.991606	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-2H+K"	36.948606
"1569985"	227.991606	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+K-2H"	36.948606
"955317"	236.041194	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-H+HCOOH"	44.998194
"373167"	427.084201	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+HCOOH-H"	44.998201
"359968"	441.099851	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+Hac-H"	59.013851
"1503699"	250.056851	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Hac-H"	59.013851
"968693"	258.023151	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-H+NaCOOH"	66.980151
"120876"	226.012402	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+2Cl"	69.938804
"562989"	321.533902	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+2Cl"	69.938804
"1035797"	130.490902	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2Cl"	69.938804
"1255745"	269.961885	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Br"	78.918885
"1316730"	272.017872	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Cl+HCOOH"	80.974872
"1333497"	293.999829	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Cl+NaCOOH"	102.956829
"922368"	304.028586	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M-H+CF3COOH"	112.985586
"1301264"	340.005264	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Cl+CF3COOH"	148.962264
"1377235"	156.030324	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H-2H2O"	-35.012676
"1391449"	174.0403	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H-H2O"	-17.0027
"290042"	383.093276	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+H"	1.007276
"685381"	574.136276	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+H"	1.007276
"1356627"	192.050276	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H"	1.007276
"134983"	192.050276	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+2H"	2.014552
"575272"	287.571776	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+2H"	2.014552
"1045534"	96.528776	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2H"	2.014552
"214165"	128.369276	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+3H"	3.021828
"656278"	192.050276	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+3H"	3.021828
"1166750"	64.688276	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+3H"	3.021828
"438414"	400.119823	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+NH4"	18.033823
"797588"	591.162823	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+NH4"	18.033823
"1694284"	209.076823	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+NH4"	18.033823
"342196"	200.5635495	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+H+NH4"	19.041099
"737899"	296.0850495	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+H+NH4"	19.041099
"1486254"	105.0420495	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H+NH4"	19.041099
"403842"	405.075218	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+Na"	22.989218
"759368"	596.118218	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+Na"	22.989218
"1610746"	214.032218	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Na"	22.989218
"319688"	203.041247	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+H+Na"	23.996494
"709069"	298.562747	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+H+Na"	23.996494
"1462527"	107.519747	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H+Na"	23.996494
"1054069"	72.01559	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2H+Na"	25.00377
"1260856"	224.076486	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+CH3OH+H"	33.033486
"377965"	421.049158	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+K"	38.963158
"739809"	612.092158	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+K"	38.963158
"1541385"	230.006158	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+K"	38.963158
"305125"	211.028217	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+H+K"	39.970434
"700829"	306.549717	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+H+K"	39.970434
"1455744"	115.506717	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H+K"	39.970434
"250190"	424.119826	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+ACN+H"	42.033826
"1222167"	233.076826	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+ACN+H"	42.033826
"1202042"	117.042051	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+ACN+2H"	43.041102
"194182"	427.05716	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+2Na-H"	44.97116
"634474"	618.10016	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+2Na-H"	44.97116
"1140896"	236.01416	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2Na-H"	44.97116
"176528"	214.032218	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+2Na"	45.978436
"614022"	309.553718	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+2Na"	45.978436
"1120325"	118.510718	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2Na"	45.978436
"1403485"	79.342904	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H+2Na"	46.985712
"1435600"	238.055746	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H+HCOOH"	47.012746
"225296"	219.06524	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+3H2O+2H"	56.04448
"1511897"	252.10779	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+IsoProp+H"	61.06479
"413412"	222.019188	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+Na+K"	61.952376
"776228"	317.540688	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+Na+K"	61.952376
"1673653"	126.497688	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Na+K"	61.952376
"261267"	446.101768	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+ACN+Na"	64.015768
"1235070"	255.058768	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+ACN+Na"	64.015768
"1720677"	255.082293	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+NH4+HCOOH"	64.039293
"1183843"	86.670218	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+3Na"	68.967654
"1659205"	260.037688	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Na+HCOOH"	68.994688
"168985"	459.00504	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+2K-H"	76.91904
"605628"	650.04804	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+2K-H"	76.91904
"1094884"	267.96204	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2K-H"	76.91904
"150241"	230.006158	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"2M+2K"	77.926316
"584090"	325.527658	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"3M+2K"	77.926316
"1070305"	134.484658	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2K"	77.926316
"1102056"	269.976592	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2K+H"	78.933592
"1339533"	270.064207	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+DMSO+H"	79.021207
"1006238"	274.103376	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2ACN+H"	83.060376
"1524847"	275.097008	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+IsoProp+Na+H"	84.054008
"990693"	137.555326	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+2ACN+2H"	84.067652
"1587506"	276.011628	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+K+HCOOH"	84.968628
"1416083"	306.043138	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+H+CF3COOH"	115.000138
"1150744"	158.068601	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+3ACN+2H"	125.094202
"1705764"	323.069685	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+NH4+CF3COOH"	132.026685
"1646881"	328.02508	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+Na+CF3COOH"	136.98208
"1579251"	343.99902	"C07714"	"Isosorbide mononitrate"	"C6H9NO6"	"191.043"	"M+K+CF3COOH"	152.95602
"803056"	166.0783	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M"	0
"987531"	147.05991	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-H2O-H"	-19.01839
"64836"	109.711590666667	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M-3H"	-3.021828
"506584"	165.071024	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M-3H"	-3.021828
"881224"	54.3521573333333	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-3H"	-3.021828
"1378"	165.071024	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M-2H"	-2.014552
"440332"	248.110174	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M-2H"	-2.014552
"818014"	82.031874	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-2H"	-2.014552
"79225"	331.149324	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M-H"	-1.007276
"519139"	497.227624	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M-H"	-1.007276
"896216"	165.071024	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-H"	-1.007276
"50235"	348.175871	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M-2H+NH4"	16.019271
"490524"	514.254171	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M-2H+NH4"	16.019271
"864919"	182.097571	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-2H+NH4"	16.019271
"42063"	353.131266	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M-2H+Na"	20.974666
"481257"	519.209566	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M-2H+Na"	20.974666
"859063"	187.052966	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-2H+Na"	20.974666
"1629325"	187.052966	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Na-2H"	20.974666
"104032"	183.059363	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M-H+Cl"	33.962126
"546509"	266.098513	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M-H+Cl"	33.962126
"938202"	100.020213	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-H+Cl"	33.962126
"280038"	367.126002	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+Cl"	34.969402
"670274"	533.204302	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+Cl"	34.969402
"1285958"	201.047702	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Cl"	34.969402
"28515"	369.105206	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M-2H+K"	36.948606
"466981"	535.183506	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M-2H+K"	36.948606
"844785"	203.026906	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-2H+K"	36.948606
"1569730"	203.026906	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+K-2H"	36.948606
"952875"	211.076494	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-H+HCOOH"	44.998194
"370361"	377.154801	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+HCOOH-H"	44.998201
"357890"	391.170451	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+Hac-H"	59.013851
"1505631"	225.092151	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Hac-H"	59.013851
"966981"	233.058451	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-H+NaCOOH"	66.980151
"120987"	201.047702	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+2Cl"	69.938804
"560912"	284.086852	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+2Cl"	69.938804
"1029716"	118.008552	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2Cl"	69.938804
"1254394"	244.997185	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Br"	78.918885
"1319030"	247.053172	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Cl+HCOOH"	80.974872
"1334704"	269.035129	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Cl+NaCOOH"	102.956829
"926490"	279.063886	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M-H+CF3COOH"	112.985586
"1303565"	315.040564	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Cl+CF3COOH"	148.962264
"1380993"	131.065624	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H-2H2O"	-35.012676
"1392653"	149.0756	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H-H2O"	-17.0027
"291975"	333.163876	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+H"	1.007276
"683668"	499.242176	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+H"	1.007276
"1356737"	167.085576	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H"	1.007276
"136552"	167.085576	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+2H"	2.014552
"574289"	250.124726	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+2H"	2.014552
"1046739"	84.046426	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2H"	2.014552
"215368"	111.726142666667	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+3H"	3.021828
"656388"	167.085576	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+3H"	3.021828
"1167953"	56.3667093333333	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+3H"	3.021828
"435606"	350.190423	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+NH4"	18.033823
"798792"	516.268723	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+NH4"	18.033823
"1692936"	184.112123	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+NH4"	18.033823
"340119"	175.5988495	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+H+NH4"	19.041099
"734729"	258.6379995	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+H+NH4"	19.041099
"1483083"	92.5596995	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H+NH4"	19.041099
"406139"	355.145818	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+Na"	22.989218
"762758"	521.224118	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+Na"	22.989218
"1614136"	189.067518	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Na"	22.989218
"320891"	178.076547	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+H+Na"	23.996494
"710030"	261.115697	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+H+Na"	23.996494
"1464948"	95.037397	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H+Na"	23.996494
"1053939"	63.6940233333333	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2H+Na"	25.00377
"1260966"	199.111786	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+CH3OH+H"	33.033486
"377958"	371.119758	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+K"	38.963158
"740531"	537.198058	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+K"	38.963158
"1541008"	205.041458	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+K"	38.963158
"305235"	186.063517	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+H+K"	39.970434
"703125"	269.102667	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+H+K"	39.970434
"1456948"	103.024367	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H+K"	39.970434
"250908"	374.190426	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+ACN+H"	42.033826
"1216082"	208.112126	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+ACN+H"	42.033826
"1196683"	104.559701	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+ACN+2H"	43.041102
"198303"	377.12776	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+2Na-H"	44.97116
"632029"	543.20606	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+2Na-H"	44.97116
"1134442"	211.04946	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2Na-H"	44.97116
"178099"	189.067518	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+2Na"	45.978436
"615833"	272.106668	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+2Na"	45.978436
"1122258"	106.028368	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2Na"	45.978436
"1404690"	71.0213373333333	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H+2Na"	46.985712
"1437898"	213.091046	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H+HCOOH"	47.012746
"228688"	194.10054	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+3H2O+2H"	56.04448
"1514561"	227.14309	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+IsoProp+H"	61.06479
"414251"	197.054488	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+Na+K"	61.952376
"778526"	280.093638	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+Na+K"	61.952376
"1674856"	114.015338	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Na+K"	61.952376
"262470"	396.172368	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+ACN+Na"	64.015768
"1237367"	230.094068	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+ACN+Na"	64.015768
"1725162"	230.117593	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+NH4+HCOOH"	64.039293
"1190515"	78.3486513333333	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+3Na"	68.967654
"1659315"	235.072988	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Na+HCOOH"	68.994688
"167273"	409.07564	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+2K-H"	76.91904
"605738"	575.15394	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+2K-H"	76.91904
"1094994"	242.99734	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2K-H"	76.91904
"152175"	205.041458	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"2M+2K"	77.926316
"589913"	288.080608	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"3M+2K"	77.926316
"1075519"	122.002308	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2K"	77.926316
"1107634"	245.011892	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2K+H"	78.933592
"1340738"	245.099507	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+DMSO+H"	79.021207
"1009268"	249.138676	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2ACN+H"	83.060376
"1524838"	250.132308	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+IsoProp+Na+H"	84.054008
"990315"	125.072976	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+2ACN+2H"	84.067652
"1590532"	251.046928	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+K+HCOOH"	84.968628
"1419474"	281.078438	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+H+CF3COOH"	115.000138
"1153042"	145.586251	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+3ACN+2H"	125.094202
"1704781"	298.104985	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+NH4+CF3COOH"	132.026685
"1646991"	303.06038	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+Na+CF3COOH"	136.98208
"1579361"	319.03432	"C07715"	"Fluorene;Diphenylenemethane;22-Methylenebiphenyl"	"C13H10"	"166.0783"	"M+K+CF3COOH"	152.95602
"804259"	198.0681	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M"	0
"978883"	179.04971	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H2O-H"	-19.01839
"63853"	131.038124	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-3H"	-3.021828
"509974"	197.060824	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-3H"	-3.021828
"882306"	65.015424	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-3H"	-3.021828
"2703"	197.060824	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H"	-2.014552
"440809"	296.094874	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H"	-2.014552
"818607"	98.026774	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H"	-2.014552
"82615"	395.128924	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-H"	-1.007276
"519134"	593.197024	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-H"	-1.007276
"896083"	197.060824	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H"	-1.007276
"50345"	412.155471	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H+NH4"	16.019271
"488812"	610.223571	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H+NH4"	16.019271
"866250"	214.087371	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H+NH4"	16.019271
"43266"	417.110866	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H+Na"	20.974666
"481003"	615.178966	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H+Na"	20.974666
"858079"	219.042766	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H+Na"	20.974666
"1631621"	219.042766	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na-2H"	20.974666
"104871"	215.049163	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-H+Cl"	33.962126
"544432"	314.083213	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-H+Cl"	33.962126
"939040"	116.015113	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+Cl"	33.962126
"281609"	431.105602	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Cl"	34.969402
"670384"	629.173702	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+Cl"	34.969402
"1284975"	233.037502	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl"	34.969402
"28626"	433.084806	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H+K"	36.948606
"469279"	631.152906	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H+K"	36.948606
"845986"	235.016706	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H+K"	36.948606
"1570816"	235.016706	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K-2H"	36.948606
"956630"	243.066294	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+HCOOH"	44.998194
"371928"	441.134401	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+HCOOH-H"	44.998201
"360187"	455.150051	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Hac-H"	59.013851
"1506109"	257.081951	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Hac-H"	59.013851
"969276"	265.048251	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+NaCOOH"	66.980151
"122191"	233.037502	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2Cl"	69.938804
"563209"	332.071552	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2Cl"	69.938804
"1034563"	134.003452	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2Cl"	69.938804
"1254505"	276.986985	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Br"	78.918885
"1319099"	279.042972	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl+HCOOH"	80.974872
"1335303"	301.024929	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl+NaCOOH"	102.956829
"925141"	311.053686	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+CF3COOH"	112.985586
"1303998"	347.030364	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl+CF3COOH"	148.962264
"1380009"	163.055424	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H-2H2O"	-35.012676
"1390578"	181.0654	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H-H2O"	-17.0027
"291356"	397.143476	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H"	1.007276
"682685"	595.211576	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H"	1.007276
"1357941"	199.075376	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H"	1.007276
"132654"	199.075376	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2H"	2.014552
"572577"	298.109426	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2H"	2.014552
"1048670"	100.041326	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2H"	2.014552
"215478"	133.052676	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+3H"	3.021828
"655404"	199.075376	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+3H"	3.021828
"1173532"	67.029976	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+3H"	3.021828
"433529"	414.170023	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+NH4"	18.033823
"798899"	612.238123	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+NH4"	18.033823
"1693044"	216.101923	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+NH4"	18.033823
"340230"	207.5886495	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H+NH4"	19.041099
"730465"	306.6226995	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H+NH4"	19.041099
"1485380"	108.5545995	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+NH4"	19.041099
"401875"	419.125418	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Na"	22.989218
"761775"	617.193518	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+Na"	22.989218
"1609874"	221.057318	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na"	22.989218
"323190"	210.066347	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H+Na"	23.996494
"712329"	309.100397	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H+Na"	23.996494
"1465058"	111.032297	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+Na"	23.996494
"1056115"	74.35729	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2H+Na"	25.00377
"1261076"	231.101586	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+CH3OH+H"	33.033486
"379651"	435.099358	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+K"	38.963158
"740279"	633.167458	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+K"	38.963158
"1540996"	237.031258	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K"	38.963158
"307532"	218.053317	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H+K"	39.970434
"702142"	317.087367	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H+K"	39.970434
"1457062"	119.019267	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+K"	39.970434
"251264"	438.170026	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+ACN+H"	42.033826
"1211818"	240.101926	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+ACN+H"	42.033826
"1197886"	120.554601	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+ACN+2H"	43.041102
"198049"	441.10736	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2Na-H"	44.97116
"629830"	639.17546	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2Na-H"	44.97116
"1133459"	243.03926	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2Na-H"	44.97116
"174929"	221.057318	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2Na"	45.978436
"614971"	320.091368	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2Na"	45.978436
"1117385"	122.023268	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2Na"	45.978436
"1403705"	81.684604	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+2Na"	46.985712
"1433998"	245.080846	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+HCOOH"	47.012746
"227704"	226.09034	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+3H2O+2H"	56.04448
"1514671"	259.13289	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+IsoProp+H"	61.06479
"414361"	229.044288	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Na+K"	61.952376
"780458"	328.078338	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+Na+K"	61.952376
"1674966"	130.010238	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na+K"	61.952376
"263309"	460.151968	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+ACN+Na"	64.015768
"1238570"	262.083868	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+ACN+Na"	64.015768
"1721992"	262.107393	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+NH4+HCOOH"	64.039293
"1187343"	89.011918	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+3Na"	68.967654
"1656143"	267.062788	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na+HCOOH"	68.994688
"167380"	473.05524	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2K-H"	76.91904
"608033"	671.12334	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2K-H"	76.91904
"1098024"	274.98714	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2K-H"	76.91904
"154472"	237.031258	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2K"	77.926316
"591847"	336.065308	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2K"	77.926316
"1073443"	137.997208	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2K"	77.926316
"1104464"	277.001692	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2K+H"	78.933592
"1344128"	277.089307	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+DMSO+H"	79.021207
"1011565"	281.128476	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2ACN+H"	83.060376
"1525067"	282.122108	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+IsoProp+Na+H"	84.054008
"991884"	141.067876	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2ACN+2H"	84.067652
"1592829"	283.036728	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K+HCOOH"	84.968628
"1419584"	313.068238	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+CF3COOH"	115.000138
"1153152"	161.581151	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+3ACN+2H"	125.094202
"1709265"	330.094785	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+NH4+CF3COOH"	132.026685
"1648195"	335.05018	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na+CF3COOH"	136.98208
"1579471"	351.02412	"C07717"	"34-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K+CF3COOH"	152.95602
"801531"	230.0579	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M"	0
"976807"	211.03951	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H2O-H"	-19.01839
"70523"	152.364657333333	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-3H"	-3.021828
"513365"	229.050624	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-3H"	-3.021828
"883510"	75.6786906666667	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-3H"	-3.021828
"2812"	229.050624	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H"	-2.014552
"441285"	344.079574	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H"	-2.014552
"818353"	114.021674	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H"	-2.014552
"82725"	459.108524	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-H"	-1.007276
"518557"	689.166424	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-H"	-1.007276
"896031"	229.050624	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H"	-1.007276
"50819"	476.135071	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H+NH4"	16.019271
"489286"	706.192971	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H+NH4"	16.019271
"868547"	246.077171	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H+NH4"	16.019271
"43011"	481.090466	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H+Na"	20.974666
"482206"	711.148366	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H+Na"	20.974666
"858188"	251.032566	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H+Na"	20.974666
"1630639"	251.032566	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na-2H"	20.974666
"102065"	247.038963	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-H+Cl"	33.962126
"544542"	362.067913	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-H+Cl"	33.962126
"932953"	132.010013	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+Cl"	33.962126
"276978"	495.085202	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Cl"	34.969402
"675440"	725.143102	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+Cl"	34.969402
"1286906"	265.027302	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl"	34.969402
"28734"	497.064406	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H+K"	36.948606
"463922"	727.122306	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H+K"	36.948606
"846097"	267.006506	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H+K"	36.948606
"1568491"	267.006506	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K-2H"	36.948606
"955282"	275.056094	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+HCOOH"	44.998194
"373497"	505.114001	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+HCOOH-H"	44.998201
"358477"	519.129651	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Hac-H"	59.013851
"1505122"	289.071751	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Hac-H"	59.013851
"968293"	297.038051	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+NaCOOH"	66.980151
"118291"	265.027302	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2Cl"	69.938804
"558945"	380.056252	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2Cl"	69.938804
"1032485"	149.998352	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2Cl"	69.938804
"1253519"	308.976785	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Br"	78.918885
"1319612"	311.032772	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl+HCOOH"	80.974872
"1334926"	333.014729	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl+NaCOOH"	102.956829
"925979"	343.043486	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+CF3COOH"	112.985586
"1303663"	379.020164	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl+CF3COOH"	148.962264
"1377203"	195.045224	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H-2H2O"	-35.012676
"1389594"	213.0552	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H-H2O"	-17.0027
"287092"	461.123076	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H"	1.007276
"681702"	691.180976	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H"	1.007276
"1354771"	231.065176	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H"	1.007276
"133128"	231.065176	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2H"	2.014552
"570500"	346.094126	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2H"	2.014552
"1049874"	116.036226	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2H"	2.014552
"213764"	154.379209333333	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+3H"	3.021828
"657701"	231.065176	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+3H"	3.021828
"1173642"	77.6932426666667	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+3H"	3.021828
"433639"	478.149623	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+NH4"	18.033823
"796824"	708.207523	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+NH4"	18.033823
"1693883"	248.091723	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+NH4"	18.033823
"337060"	239.5784495	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H+NH4"	19.041099
"728022"	354.6073995	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H+NH4"	19.041099
"1481479"	124.5494995	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+NH4"	19.041099
"399794"	483.105018	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Na"	22.989218
"761884"	713.162918	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+Na"	22.989218
"1609984"	253.047118	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na"	22.989218
"322207"	242.056147	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H+Na"	23.996494
"710251"	357.085097	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H+Na"	23.996494
"1465166"	127.027197	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+Na"	23.996494
"1055494"	85.0205566666667	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2H+Na"	25.00377
"1260092"	263.091386	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+CH3OH+H"	33.033486
"379759"	499.078958	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+K"	38.963158
"740024"	729.136858	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+K"	38.963158
"1542078"	269.021058	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K"	38.963158
"307642"	250.043117	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H+K"	39.970434
"701159"	365.072067	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H+K"	39.970434
"1456078"	135.014167	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+K"	39.970434
"250397"	502.149626	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+ACN+H"	42.033826
"1224567"	272.091726	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+ACN+H"	42.033826
"1198725"	136.549501	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+ACN+2H"	43.041102
"199251"	505.08696	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2Na-H"	44.97116
"640636"	735.14486	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2Na-H"	44.97116
"1141225"	275.02906	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2Na-H"	44.97116
"182329"	253.047118	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2Na"	45.978436
"616782"	368.076068	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2Na"	45.978436
"1118103"	138.018168	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2Na"	45.978436
"1403815"	92.3478706666667	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+2Na"	46.985712
"1437024"	277.070646	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+HCOOH"	47.012746
"230366"	258.08014	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+3H2O+2H"	56.04448
"1514781"	291.12269	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+IsoProp+H"	61.06479
"413378"	261.034088	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Na+K"	61.952376
"779475"	376.063038	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+Na+K"	61.952376
"1675076"	146.005138	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na+K"	61.952376
"263419"	524.131568	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+ACN+Na"	64.015768
"1240503"	294.073668	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+ACN+Na"	64.015768
"1725382"	294.097193	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+NH4+HCOOH"	64.039293
"1187453"	99.6751846666667	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+3Na"	68.967654
"1659532"	299.052588	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na+HCOOH"	68.994688
"164208"	537.03484	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2K-H"	76.91904
"604862"	767.09274	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2K-H"	76.91904
"1098133"	306.97694	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2K-H"	76.91904
"153489"	269.021058	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2K"	77.926316
"594509"	384.050008	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2K"	77.926316
"1077927"	153.992108	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2K"	77.926316
"1110041"	308.991492	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2K+H"	78.933592
"1344238"	309.079107	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+DMSO+H"	79.021207
"1011675"	313.118276	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2ACN+H"	83.060376
"1524936"	314.111908	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+IsoProp+Na+H"	84.054008
"991143"	157.062776	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2ACN+2H"	84.067652
"1590752"	315.026528	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K+HCOOH"	84.968628
"1418600"	345.058038	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+CF3COOH"	115.000138
"1156542"	177.576051	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+3ACN+2H"	125.094202
"1709375"	362.084585	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+NH4+CF3COOH"	132.026685
"1649398"	367.03998	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na+CF3COOH"	136.98208
"1579581"	383.01392	"C07718"	"2-Hydroxy-4-(1-oxo-13-dihydro-2H-inden-2-ylidene)-but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K+CF3COOH"	152.95602
"803386"	160.0524	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M"	0
"975459"	141.03401	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-H2O-H"	-19.01839
"69540"	105.694324	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M-3H"	-3.021828
"514568"	159.045124	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M-3H"	-3.021828
"881435"	52.343524	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-3H"	-3.021828
"2198"	159.045124	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M-2H"	-2.014552
"440667"	239.071324	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M-2H"	-2.014552
"817738"	79.018924	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-2H"	-2.014552
"82834"	319.097524	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M-H"	-1.007276
"519229"	479.149924	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M-H"	-1.007276
"895659"	159.045124	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-H"	-1.007276
"47188"	336.124071	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M-2H+NH4"	16.019271
"487446"	496.176471	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M-2H+NH4"	16.019271
"864642"	176.071671	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-2H+NH4"	16.019271
"40933"	341.079466	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M-2H+Na"	20.974666
"479399"	501.131866	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M-2H+Na"	20.974666
"850640"	181.027066	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-2H+Na"	20.974666
"1632937"	181.027066	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Na-2H"	20.974666
"104362"	177.033463	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M-H+Cl"	33.962126
"546108"	257.059663	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M-H+Cl"	33.962126
"940718"	97.007263	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-H+Cl"	33.962126
"277086"	355.074202	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+Cl"	34.969402
"671696"	515.126602	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+Cl"	34.969402
"1283006"	195.021802	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Cl"	34.969402
"24469"	357.053406	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M-2H+K"	36.948606
"465124"	517.105806	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M-2H+K"	36.948606
"846207"	197.001006	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-2H+K"	36.948606
"1565322"	197.001006	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+K-2H"	36.948606
"954299"	205.050594	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-H+HCOOH"	44.998194
"369234"	365.103001	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+HCOOH-H"	44.998201
"359315"	379.118651	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+Hac-H"	59.013851
"1505231"	219.066251	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Hac-H"	59.013851
"969496"	227.032551	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-H+NaCOOH"	66.980151
"118401"	195.021802	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+2Cl"	69.938804
"557961"	275.048002	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+2Cl"	69.938804
"1033688"	114.995602	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2Cl"	69.938804
"1253630"	238.971285	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Br"	78.918885
"1318266"	241.027272	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Cl+HCOOH"	80.974872
"1334671"	263.009229	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Cl+NaCOOH"	102.956829
"925725"	273.037986	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M-H+CF3COOH"	112.985586
"1303527"	309.014664	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Cl+CF3COOH"	148.962264
"1377313"	125.039724	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H-2H2O"	-35.012676
"1390797"	143.0497	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H-H2O"	-17.0027
"289389"	321.112076	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+H"	1.007276
"682905"	481.164476	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+H"	1.007276
"1357067"	161.059676	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H"	1.007276
"132874"	161.059676	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+2H"	2.014552
"570610"	241.085876	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+2H"	2.014552
"1049254"	81.033476	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2H"	2.014552
"211687"	107.708876	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+3H"	3.021828
"657811"	161.059676	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+3H"	3.021828
"1173752"	54.358076	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+3H"	3.021828
"432656"	338.138623	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+NH4"	18.033823
"796934"	498.191023	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+NH4"	18.033823
"1692900"	178.086223	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+NH4"	18.033823
"334983"	169.5729495	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+H+NH4"	19.041099
"724851"	249.5991495	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+H+NH4"	19.041099
"1481588"	89.5467495	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H+NH4"	19.041099
"395893"	343.094018	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+Na"	22.989218
"760898"	503.146418	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+Na"	22.989218
"1614466"	183.041618	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Na"	22.989218
"320129"	172.050647	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+H+Na"	23.996494
"712549"	252.076847	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+H+Na"	23.996494
"1463819"	92.024447	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H+Na"	23.996494
"1054147"	61.68539	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2H+Na"	25.00377
"1259109"	193.085886	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+CH3OH+H"	33.033486
"378048"	359.067958	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+K"	38.963158
"740862"	519.120358	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+K"	38.963158
"1541823"	199.015558	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+K"	38.963158
"301185"	180.037617	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+H+K"	39.970434
"696892"	260.063817	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+H+K"	39.970434
"1455095"	100.011417	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H+K"	39.970434
"250993"	362.138626	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+ACN+H"	42.033826
"1222974"	202.086226	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+ACN+H"	42.033826
"1198471"	101.546751	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+ACN+2H"	43.041102
"199727"	365.07596	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+2Na-H"	44.97116
"640015"	525.12836	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+2Na-H"	44.97116
"1141698"	205.02356	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2Na-H"	44.97116
"184262"	183.041618	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+2Na"	45.978436
"614343"	263.067818	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+2Na"	45.978436
"1120401"	103.015418	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2Na"	45.978436
"1402832"	69.012704	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H+2Na"	46.985712
"1437134"	207.065146	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H+HCOOH"	47.012746
"230840"	188.07464	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+3H2O+2H"	56.04448
"1514891"	221.11719	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+IsoProp+H"	61.06479
"413488"	191.028588	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+Na+K"	61.952376
"777762"	271.054788	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+Na+K"	61.952376
"1675186"	111.002388	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Na+K"	61.952376
"262800"	384.120568	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+ACN+Na"	64.015768
"1235509"	224.068168	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+ACN+Na"	64.015768
"1722210"	224.091693	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+NH4+HCOOH"	64.039293
"1189753"	76.340018	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+3Na"	68.967654
"1658550"	229.047088	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Na+HCOOH"	68.994688
"166507"	397.02384	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+2K-H"	76.91904
"607160"	557.07624	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+2K-H"	76.91904
"1096052"	236.97144	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2K-H"	76.91904
"154694"	199.015558	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"2M+2K"	77.926316
"594619"	279.041758	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"3M+2K"	77.926316
"1078402"	118.989358	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2K"	77.926316
"1111975"	238.985992	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2K+H"	78.933592
"1345442"	239.073607	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+DMSO+H"	79.021207
"1011785"	243.112776	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2ACN+H"	83.060376
"1526629"	244.106408	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+IsoProp+Na+H"	84.054008
"991982"	122.060026	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+2ACN+2H"	84.067652
"1595235"	245.021028	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+K+HCOOH"	84.968628
"1418711"	275.052538	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+H+CF3COOH"	115.000138
"1153372"	142.573301	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+3ACN+2H"	125.094202
"1711672"	292.079085	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+NH4+CF3COOH"	132.026685
"1648414"	297.03448	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+Na+CF3COOH"	136.98208
"1579691"	313.00842	"C07719"	"2-Formyl-1-indanone"	"C10H8O2"	"160.0524"	"M+K+CF3COOH"	152.95602
"802766"	148.0524	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M"	0
"976297"	129.03401	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-H2O-H"	-19.01839
"70744"	97.694324	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M-3H"	-3.021828
"513584"	147.045124	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M-3H"	-3.021828
"884827"	48.343524	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-3H"	-3.021828
"2308"	147.045124	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M-2H"	-2.014552
"444058"	221.071324	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M-2H"	-2.014552
"817486"	73.018924	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-2H"	-2.014552
"89505"	295.097524	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M-H"	-1.007276
"519100"	443.149924	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M-H"	-1.007276
"896293"	147.045124	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-H"	-1.007276
"51403"	312.124071	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M-2H+NH4"	16.019271
"493151"	460.176471	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M-2H+NH4"	16.019271
"869859"	164.071671	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-2H+NH4"	16.019271
"43595"	317.079466	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M-2H+Na"	20.974666
"483155"	465.131866	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M-2H+Na"	20.974666
"858040"	169.027066	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-2H+Na"	20.974666
"1633415"	169.027066	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Na-2H"	20.974666
"105567"	165.033463	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M-H+Cl"	33.962126
"546221"	239.059663	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M-H+Cl"	33.962126
"942051"	91.007263	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-H+Cl"	33.962126
"282311"	331.074202	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+Cl"	34.969402
"675093"	479.126602	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+Cl"	34.969402
"1287128"	183.021802	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Cl"	34.969402
"26403"	333.053406	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M-2H+K"	36.948606
"469242"	481.105806	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M-2H+K"	36.948606
"844130"	185.001006	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-2H+K"	36.948606
"1568712"	185.001006	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+K-2H"	36.948606
"956720"	193.050594	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-H+HCOOH"	44.998194
"374083"	341.103001	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+HCOOH-H"	44.998201
"358697"	355.118651	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+Hac-H"	59.013851
"1507651"	207.066251	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Hac-H"	59.013851
"972520"	215.032551	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-H+NaCOOH"	66.980151
"122888"	183.021802	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+2Cl"	69.938804
"562082"	257.048002	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+2Cl"	69.938804
"1035985"	108.995602	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2Cl"	69.938804
"1255807"	226.971285	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Br"	78.918885
"1318010"	229.027272	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Cl+HCOOH"	80.974872
"1335318"	251.009229	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Cl+NaCOOH"	102.956829
"926203"	261.037986	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M-H+CF3COOH"	112.985586
"1303927"	297.014664	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Cl+CF3COOH"	148.962264
"1377787"	113.039724	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H-2H2O"	-35.012676
"1388720"	131.0497	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H-H2O"	-17.0027
"288405"	297.112076	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+H"	1.007276
"678639"	445.164476	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+H"	1.007276
"1352920"	149.059676	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H"	1.007276
"127877"	149.059676	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+2H"	2.014552
"572906"	223.085876	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+2H"	2.014552
"1049364"	75.033476	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2H"	2.014552
"212890"	99.708876	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+3H"	3.021828
"658650"	149.059676	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+3H"	3.021828
"1171671"	50.358076	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+3H"	3.021828
"434953"	314.138623	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+NH4"	18.033823
"798137"	462.191023	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+NH4"	18.033823
"1694832"	166.086223	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+NH4"	18.033823
"338373"	157.5729495	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+H+NH4"	19.041099
"727877"	231.5991495	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+H+NH4"	19.041099
"1485708"	83.5467495	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H+NH4"	19.041099
"402199"	319.094018	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+Na"	22.989218
"764288"	467.146418	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+Na"	22.989218
"1615669"	171.041618	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Na"	22.989218
"321332"	160.050647	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+H+Na"	23.996494
"714847"	234.076847	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+H+Na"	23.996494
"1468665"	86.024447	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H+Na"	23.996494
"1058634"	57.68539	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2H+Na"	25.00377
"1262501"	181.085886	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+CH3OH+H"	33.033486
"378280"	335.067958	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+K"	38.963158
"740244"	483.120358	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+K"	38.963158
"1542297"	187.015558	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+K"	38.963158
"300687"	168.037617	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+H+K"	39.970434
"692989"	242.063817	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+H+K"	39.970434
"1454840"	94.011417	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H+K"	39.970434
"251321"	338.138626	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+ACN+H"	42.033826
"1218708"	190.086226	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+ACN+H"	42.033826
"1204415"	95.546751	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+ACN+2H"	43.041102
"198742"	341.07596	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+2Na-H"	44.97116
"640856"	489.12836	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+2Na-H"	44.97116
"1146063"	193.02356	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2Na-H"	44.97116
"187288"	171.041618	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+2Na"	45.978436
"627821"	245.067818	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+2Na"	45.978436
"1130597"	97.015418	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2Na"	45.978436
"1408409"	65.012704	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H+2Na"	46.985712
"1437244"	195.065146	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H+HCOOH"	47.012746
"232044"	176.07464	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+3H2O+2H"	56.04448
"1511721"	209.11719	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+IsoProp+H"	61.06479
"419797"	179.028588	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+Na+K"	61.952376
"781884"	253.054788	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+Na+K"	61.952376
"1675299"	105.002388	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Na+K"	61.952376
"264732"	360.120568	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+ACN+Na"	64.015768
"1237443"	212.068168	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+ACN+Na"	64.015768
"1720133"	212.091693	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+NH4+HCOOH"	64.039293
"1188769"	72.340018	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+3Na"	68.967654
"1659753"	217.047088	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Na+HCOOH"	68.994688
"167348"	373.02384	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+2K-H"	76.91904
"609095"	521.07624	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+2K-H"	76.91904
"1094341"	224.97144	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2K-H"	76.91904
"153711"	187.015558	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"2M+2K"	77.926316
"593637"	261.041758	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"3M+2K"	77.926316
"1081429"	112.989358	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2K"	77.926316
"1113545"	226.985992	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2K+H"	78.933592
"1349564"	227.073607	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+DMSO+H"	79.021207
"1019187"	231.112776	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2ACN+H"	83.060376
"1533665"	232.106408	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+IsoProp+Na+H"	84.054008
"1000113"	116.060026	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+2ACN+2H"	84.067652
"1595346"	233.021028	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+K+HCOOH"	84.968628
"1426474"	263.052538	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+H+CF3COOH"	115.000138
"1160042"	136.573301	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+3ACN+2H"	125.094202
"1712150"	280.079085	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+NH4+CF3COOH"	132.026685
"1648524"	285.03448	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+Na+CF3COOH"	136.98208
"1579801"	301.00842	"C07720"	"3-Hydroxy-1-indanone"	"C9H8O2"	"148.0524"	"M+K+CF3COOH"	152.95602
"803606"	200.0837	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M"	0
"974745"	181.06531	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-H2O-H"	-19.01839
"66479"	132.381857333333	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M-3H"	-3.021828
"511507"	199.076424	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M-3H"	-3.021828
"883843"	65.6872906666667	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-3H"	-3.021828
"5699"	199.076424	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M-2H"	-2.014552
"444168"	299.118274	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M-2H"	-2.014552
"820876"	99.034574	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-2H"	-2.014552
"86335"	399.160124	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M-H"	-1.007276
"519085"	599.243824	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M-H"	-1.007276
"896400"	199.076424	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-H"	-1.007276
"47863"	416.186671	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M-2H+NH4"	16.019271
"493261"	616.270371	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M-2H+NH4"	16.019271
"869969"	216.102971	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-2H+NH4"	16.019271
"42246"	421.142066	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M-2H+Na"	20.974666
"482900"	621.225766	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M-2H+Na"	20.974666
"858514"	221.058366	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-2H+Na"	20.974666
"1631946"	221.058366	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Na-2H"	20.974666
"105677"	217.064763	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M-H+Cl"	33.962126
"548275"	317.106613	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M-H+Cl"	33.962126
"941919"	117.022913	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-H+Cl"	33.962126
"281691"	435.136802	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+Cl"	34.969402
"674355"	635.220502	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+Cl"	34.969402
"1287482"	235.053102	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Cl"	34.969402
"26513"	437.116006	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M-2H+K"	36.948606
"467895"	637.199706	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M-2H+K"	36.948606
"843147"	237.032306	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-2H+K"	36.948606
"1569188"	237.032306	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+K-2H"	36.948606
"955614"	245.081894	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-H+HCOOH"	44.998194
"373099"	445.165601	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+HCOOH-H"	44.998201
"359535"	459.181251	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+Hac-H"	59.013851
"1506913"	259.097551	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Hac-H"	59.013851
"972630"	267.063851	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-H+NaCOOH"	66.980151
"123363"	235.053102	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+2Cl"	69.938804
"563287"	335.094952	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+2Cl"	69.938804
"1036664"	135.011252	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2Cl"	69.938804
"1256690"	279.002585	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Br"	78.918885
"1319708"	281.058572	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Cl+HCOOH"	80.974872
"1334900"	303.040529	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Cl+NaCOOH"	102.956829
"926798"	313.069286	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M-H+CF3COOH"	112.985586
"1304174"	349.045964	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Cl+CF3COOH"	148.962264
"1376804"	165.071024	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H-2H2O"	-35.012676
"1386644"	183.081	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H-H2O"	-17.0027
"288515"	401.174676	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+H"	1.007276
"680936"	601.258376	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+H"	1.007276
"1358378"	201.090976	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H"	1.007276
"127258"	201.090976	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+2H"	2.014552
"570830"	301.132826	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+2H"	2.014552
"1049474"	101.049126	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2H"	2.014552
"210814"	134.396409333333	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+3H"	3.021828
"658031"	201.090976	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+3H"	3.021828
"1170688"	67.7018426666667	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+3H"	3.021828
"431782"	418.201223	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+NH4"	18.033823
"796061"	618.284923	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+NH4"	18.033823
"1691298"	218.117523	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+NH4"	18.033823
"337389"	209.6042495	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+H+NH4"	19.041099
"728350"	309.6460995	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+H+NH4"	19.041099
"1485818"	109.5623995	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H+NH4"	19.041099
"401216"	423.156618	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+Na"	22.989218
"765492"	623.240318	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+Na"	22.989218
"1610310"	223.072918	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Na"	22.989218
"317431"	212.081947	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+H+Na"	23.996494
"714956"	312.123797	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+H+Na"	23.996494
"1470962"	112.040097	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H+Na"	23.996494
"1054367"	75.0291566666667	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2H+Na"	25.00377
"1262611"	233.117186	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+CH3OH+H"	33.033486
"378633"	439.130558	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+K"	38.963158
"739990"	639.214258	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+K"	38.963158
"1541678"	239.046858	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+K"	38.963158
"301406"	220.068917	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+H+K"	39.970434
"691883"	320.110767	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+H+K"	39.970434
"1456407"	120.027067	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H+K"	39.970434
"248655"	442.201226	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+ACN+H"	42.033826
"1222825"	242.117526	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+ACN+H"	42.033826
"1205618"	121.562401	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+ACN+2H"	43.041102
"196665"	445.13856	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+2Na-H"	44.97116
"641331"	645.22226	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+2Na-H"	44.97116
"1143378"	245.05486	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2Na-H"	44.97116
"187034"	223.072918	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+2Na"	45.978436
"627322"	323.114768	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+2Na"	45.978436
"1129369"	123.031068	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2Na"	45.978436
"1408519"	82.3564706666667	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H+2Na"	46.985712
"1437354"	247.096446	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H+HCOOH"	47.012746
"232518"	228.10594	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+3H2O+2H"	56.04448
"1514017"	261.14849	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+IsoProp+H"	61.06479
"420272"	231.059888	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+Na+K"	61.952376
"783452"	331.101738	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+Na+K"	61.952376
"1676138"	131.018038	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Na+K"	61.952376
"263749"	464.183168	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+ACN+Na"	64.015768
"1237554"	264.099468	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+ACN+Na"	64.015768
"1722429"	264.122993	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+NH4+HCOOH"	64.039293
"1188515"	89.6837846666667	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+3Na"	68.967654
"1660956"	269.078388	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Na+HCOOH"	68.994688
"168551"	477.08644	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+2K-H"	76.91904
"608840"	677.17014	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+2K-H"	76.91904
"1094451"	277.00274	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2K-H"	76.91904
"154550"	239.046858	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"2M+2K"	77.926316
"594477"	339.088708	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"3M+2K"	77.926316
"1081174"	139.005008	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2K"	77.926316
"1111830"	279.017292	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2K+H"	78.933592
"1348215"	279.104907	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+DMSO+H"	79.021207
"1017475"	283.144076	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2ACN+H"	83.060376
"1533410"	284.137708	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+IsoProp+Na+H"	84.054008
"996576"	142.075676	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+2ACN+2H"	84.067652
"1594362"	285.052328	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+K+HCOOH"	84.968628
"1423303"	315.083838	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+H+CF3COOH"	115.000138
"1160152"	162.588951	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+3ACN+2H"	125.094202
"1712137"	332.110385	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+NH4+CF3COOH"	132.026685
"1645354"	337.06578	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+Na+CF3COOH"	136.98208
"1579911"	353.03972	"C07721"	"()-(3S4R)-cis-34-Dihydroxy-34-dihydrofluorene"	"C13H12O2"	"200.0837"	"M+K+CF3COOH"	152.95602
"802986"	214.063	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M"	0
"974318"	195.04461	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"73151"	141.701390666667	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"517452"	213.055724	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"891607"	70.3470573333333	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"11276"	213.055724	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"450839"	320.087224	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"826453"	106.024224	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"91914"	427.118724	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"526006"	641.181724	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"907087"	213.055724	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"49192"	444.145271	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"490091"	658.208271	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"870079"	230.082271	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"43449"	449.100666	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"478635"	663.163666	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"855343"	235.037666	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1633638"	235.037666	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"108704"	231.044063	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"549689"	338.075563	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"942481"	124.012563	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"282614"	463.095402	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"675399"	677.158402	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1287915"	249.032402	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"30958"	465.074606	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"470437"	679.137606	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"846174"	251.011606	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1569665"	251.011606	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"956819"	259.061194	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"375399"	473.124201	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"359646"	487.139851	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1507753"	273.076851	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"973104"	281.043151	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"123839"	249.032402	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"562669"	356.063902	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1033656"	142.000902	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1256151"	292.981885	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1319330"	295.037872	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1335510"	317.019829	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"926545"	327.048586	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1304108"	363.025264	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1379830"	179.050324	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1385660"	197.0603	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"287532"	429.133276	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"681046"	643.196276	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1358490"	215.070276	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H"	1.007276
"127005"	215.070276	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"570940"	322.101776	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1043023"	108.038776	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"210924"	143.715942666667	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"651579"	215.070276	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1170798"	72.3616093333333	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"430434"	446.159823	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"797262"	660.222823	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1692499"	232.096823	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"340779"	223.5835495	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"732107"	330.6150495	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1485929"	116.5520495	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"401326"	451.115218	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"766696"	665.178218	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1612606"	237.052218	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"321551"	226.061247	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"716159"	333.092747	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1472166"	119.029747	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1054113"	79.6889233333333	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1258709"	247.096486	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"378007"	467.089158	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"739737"	681.152158	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1542518"	253.026158	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+K"	38.963158
"302610"	234.048217	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"697221"	341.079717	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1456513"	127.016717	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"241834"	470.159826	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1223907"	256.096826	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1208037"	128.552051	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"200055"	473.09716	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"642531"	687.16016	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1145307"	259.03416	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"183133"	237.052218	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"622693"	344.083718	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1126198"	130.020718	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1410815"	87.0162373333333	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1436370"	261.075746	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"232624"	242.08524	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1519593"	275.12779	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"422564"	245.039188	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"778091"	352.070688	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1675517"	138.007688	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"260944"	492.141768	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1232558"	278.078768	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1722539"	278.102293	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1190083"	94.3435513333333	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1659973"	283.057688	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"169754"	505.04504	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"609677"	719.10804	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1096749"	290.98204	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"155389"	253.026158	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"595562"	360.057658	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1082989"	145.994658	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1113033"	292.996592	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1350150"	293.084207	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1018677"	297.123376	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1532425"	298.117008	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"998873"	149.065326	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1596658"	299.031628	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1427786"	329.063138	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1161355"	169.578601	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1712493"	346.089685	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1647651"	351.04508	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1580021"	367.01902	"C07722"	"34-Dihydroxy-34-dihydro-9-fluorenone"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"801652"	196.0524	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M"	0
"974594"	177.03401	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-H2O-H"	-19.01839
"64512"	129.694324	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M-3H"	-3.021828
"510634"	195.045124	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M-3H"	-3.021828
"880782"	64.343524	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-3H"	-3.021828
"9199"	195.045124	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M-2H"	-2.014552
"443291"	293.071324	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M-2H"	-2.014552
"823281"	97.018924	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-2H"	-2.014552
"86555"	391.097524	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M-H"	-1.007276
"520648"	587.149924	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M-H"	-1.007276
"900636"	195.045124	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-H"	-1.007276
"49909"	408.124071	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M-2H+NH4"	16.019271
"491293"	604.176471	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M-2H+NH4"	16.019271
"869095"	212.071671	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-2H+NH4"	16.019271
"32257"	413.079466	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M-2H+Na"	20.974666
"478744"	609.131866	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M-2H+Na"	20.974666
"855452"	217.027066	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-2H+Na"	20.974666
"1633786"	217.027066	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Na-2H"	20.974666
"108453"	213.033463	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M-H+Cl"	33.962126
"549107"	311.059663	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M-H+Cl"	33.962126
"942628"	115.007263	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-H+Cl"	33.962126
"282560"	427.074202	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+Cl"	34.969402
"675179"	623.126602	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+Cl"	34.969402
"1287700"	231.021802	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Cl"	34.969402
"31234"	429.053406	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M-2H+K"	36.948606
"470668"	625.105806	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M-2H+K"	36.948606
"845190"	233.001006	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-2H+K"	36.948606
"1570868"	233.001006	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+K-2H"	36.948606
"957656"	241.050594	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-H+HCOOH"	44.998194
"375143"	437.103001	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+HCOOH-H"	44.998201
"355382"	451.118651	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+Hac-H"	59.013851
"1506766"	255.066251	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Hac-H"	59.013851
"972121"	263.032551	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-H+NaCOOH"	66.980151
"124188"	231.021802	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+2Cl"	69.938804
"564844"	329.048002	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+2Cl"	69.938804
"1035953"	132.995602	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2Cl"	69.938804
"1256504"	274.971285	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Br"	78.918885
"1319563"	277.027272	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Cl+HCOOH"	80.974872
"1334744"	299.009229	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Cl+NaCOOH"	102.956829
"923614"	309.037986	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M-H+CF3COOH"	112.985586
"1301049"	345.014664	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Cl+CF3COOH"	148.962264
"1374836"	161.039724	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H-2H2O"	-35.012676
"1385771"	179.0497	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H-H2O"	-17.0027
"286550"	393.112076	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+H"	1.007276
"682250"	589.164476	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+H"	1.007276
"1355318"	197.059676	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H"	1.007276
"127114"	197.059676	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+2H"	2.014552
"571050"	295.085876	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+2H"	2.014552
"1044228"	99.033476	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2H"	2.014552
"209941"	131.708876	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+3H"	3.021828
"656065"	197.059676	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+3H"	3.021828
"1170908"	66.358076	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+3H"	3.021828
"433096"	410.138623	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+NH4"	18.033823
"797372"	606.191023	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+NH4"	18.033823
"1693702"	214.086223	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+NH4"	18.033823
"338701"	205.5729495	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+H+NH4"	19.041099
"732216"	303.5991495	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+H+NH4"	19.041099
"1482027"	107.5467495	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H+NH4"	19.041099
"398884"	415.094018	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+Na"	22.989218
"762432"	611.146418	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+Na"	22.989218
"1610530"	219.041618	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Na"	22.989218
"324941"	208.050647	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+H+Na"	23.996494
"711896"	306.076847	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+H+Na"	23.996494
"1473370"	110.024447	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H+Na"	23.996494
"1054223"	73.68539	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2H+Na"	25.00377
"1261738"	229.085886	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+CH3OH+H"	33.033486
"379211"	431.067958	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+K"	38.963158
"741308"	627.120358	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+K"	38.963158
"1541170"	235.015558	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+K"	38.963158
"299442"	216.037617	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+H+K"	39.970434
"695142"	314.063817	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+H+K"	39.970434
"1456623"	118.011417	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H+K"	39.970434
"243038"	434.138626	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+ACN+H"	42.033826
"1223772"	238.086226	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+ACN+H"	42.033826
"1201829"	119.546751	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+ACN+2H"	43.041102
"200165"	437.07596	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+2Na-H"	44.97116
"642158"	633.12836	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+2Na-H"	44.97116
"1145420"	241.02356	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2Na-H"	44.97116
"186523"	219.041618	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+2Na"	45.978436
"624990"	317.067818	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+2Na"	45.978436
"1129468"	121.015418	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2Na"	45.978436
"1410925"	81.012704	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H+2Na"	46.985712
"1433564"	243.065146	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H+HCOOH"	47.012746
"230548"	224.07464	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+3H2O+2H"	56.04448
"1518610"	257.11719	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+IsoProp+H"	61.06479
"410644"	227.028588	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+Na+K"	61.952376
"775285"	325.054788	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+Na+K"	61.952376
"1666147"	129.002388	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Na+K"	61.952376
"262147"	456.120568	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+ACN+Na"	64.015768
"1233761"	260.068168	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+ACN+Na"	64.015768
"1720463"	260.091693	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+NH4+HCOOH"	64.039293
"1185820"	88.340018	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+3Na"	68.967654
"1660083"	265.047088	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Na+HCOOH"	68.994688
"167676"	469.02384	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+2K-H"	76.91904
"609787"	665.07624	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+2K-H"	76.91904
"1097219"	272.97144	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2K-H"	76.91904
"153670"	235.015558	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"2M+2K"	77.926316
"595424"	333.041758	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"3M+2K"	77.926316
"1082122"	136.989358	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2K"	77.926316
"1113506"	274.985992	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2K+H"	78.933592
"1349891"	275.073607	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+DMSO+H"	79.021207
"1020243"	279.112776	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2ACN+H"	83.060376
"1528160"	280.106408	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+IsoProp+Na+H"	84.054008
"994608"	140.060026	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+2ACN+2H"	84.067652
"1595673"	281.021028	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+K+HCOOH"	84.968628
"1423521"	311.052538	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+H+CF3COOH"	115.000138
"1159278"	160.573301	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+3ACN+2H"	125.094202
"1711752"	328.079085	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+NH4+CF3COOH"	132.026685
"1645574"	333.03448	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+Na+CF3COOH"	136.98208
"1580131"	349.00842	"C07723"	"4-Hydroxy-9-fluorenone"	"C13H8O2"	"196.0524"	"M+K+CF3COOH"	152.95602
"801663"	198.0681	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M"	0
"975279"	179.04971	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H2O-H"	-19.01839
"64257"	131.038124	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-3H"	-3.021828
"507464"	197.060824	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-3H"	-3.021828
"880891"	65.015424	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-3H"	-3.021828
"8216"	197.060824	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H"	-2.014552
"442307"	296.094874	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H"	-2.014552
"823391"	98.026774	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H"	-2.014552
"87758"	395.128924	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-H"	-1.007276
"526224"	593.197024	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-H"	-1.007276
"900746"	197.060824	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H"	-1.007276
"48926"	412.155471	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H+NH4"	16.019271
"488000"	610.223571	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H+NH4"	16.019271
"865316"	214.087371	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H+NH4"	16.019271
"31634"	417.110866	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H+Na"	20.974666
"471641"	615.178966	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H+Na"	20.974666
"855562"	219.042766	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H+Na"	20.974666
"1633487"	219.042766	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na-2H"	20.974666
"108929"	215.049163	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-H+Cl"	33.962126
"548852"	314.083213	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-H+Cl"	33.962126
"942570"	116.015113	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+Cl"	33.962126
"282015"	431.105602	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Cl"	34.969402
"675591"	629.173702	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+Cl"	34.969402
"1286109"	233.037502	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl"	34.969402
"30774"	433.084806	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M-2H+K"	36.948606
"468592"	631.152906	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M-2H+K"	36.948606
"842384"	235.016706	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-2H+K"	36.948606
"1569155"	235.016706	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K-2H"	36.948606
"955580"	243.066294	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+HCOOH"	44.998194
"374523"	441.134401	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+HCOOH-H"	44.998201
"356586"	455.150051	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Hac-H"	59.013851
"1505419"	257.081951	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Hac-H"	59.013851
"971138"	265.048251	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+NaCOOH"	66.980151
"124054"	233.037502	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2Cl"	69.938804
"564345"	332.071552	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2Cl"	69.938804
"1036794"	134.003452	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2Cl"	69.938804
"1256897"	276.986985	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Br"	78.918885
"1319796"	279.042972	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl+HCOOH"	80.974872
"1333031"	301.024929	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl+NaCOOH"	102.956829
"920078"	311.053686	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M-H+CF3COOH"	112.985586
"1295691"	347.030364	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Cl+CF3COOH"	148.962264
"1371665"	163.055424	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H-2H2O"	-35.012676
"1384421"	181.0654	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H-H2O"	-17.0027
"285563"	397.143476	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H"	1.007276
"681267"	595.211576	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H"	1.007276
"1354335"	199.075376	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H"	1.007276
"128317"	199.075376	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2H"	2.014552
"567880"	298.109426	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2H"	2.014552
"1047618"	100.041326	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2H"	2.014552
"210051"	133.052676	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+3H"	3.021828
"652894"	199.075376	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+3H"	3.021828
"1167738"	67.029976	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+3H"	3.021828
"433206"	414.170023	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+NH4"	18.033823
"793108"	612.238123	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+NH4"	18.033823
"1691626"	216.101923	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+NH4"	18.033823
"335895"	207.5886495	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H+NH4"	19.041099
"730503"	306.6226995	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H+NH4"	19.041099
"1482866"	108.5545995	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+NH4"	19.041099
"398630"	419.125418	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Na"	22.989218
"763635"	617.193518	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+Na"	22.989218
"1610640"	221.057318	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na"	22.989218
"323958"	210.066347	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H+Na"	23.996494
"713099"	309.100397	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H+Na"	23.996494
"1472387"	111.032297	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+Na"	23.996494
"1054697"	74.35729	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2H+Na"	25.00377
"1259293"	231.101586	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+CH3OH+H"	33.033486
"378351"	435.099358	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+K"	38.963158
"739593"	633.167458	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+K"	38.963158
"1541280"	237.031258	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K"	38.963158
"300643"	218.053317	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+H+K"	39.970434
"694157"	317.087367	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+H+K"	39.970434
"1449442"	119.019267	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+K"	39.970434
"238044"	438.170026	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+ACN+H"	42.033826
"1223760"	240.101926	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+ACN+H"	42.033826
"1205211"	120.554601	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+ACN+2H"	43.041102
"196995"	441.10736	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2Na-H"	44.97116
"640931"	639.17546	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2Na-H"	44.97116
"1145530"	243.03926	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2Na-H"	44.97116
"185540"	221.057318	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2Na"	45.978436
"624006"	320.091368	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2Na"	45.978436
"1128605"	122.023268	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2Na"	45.978436
"1408848"	81.684604	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+2Na"	46.985712
"1434403"	245.080846	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+HCOOH"	47.012746
"230658"	226.09034	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+3H2O+2H"	56.04448
"1519813"	259.13289	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+IsoProp+H"	61.06479
"411118"	229.044288	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+Na+K"	61.952376
"775759"	328.078338	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+Na+K"	61.952376
"1666986"	130.010238	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na+K"	61.952376
"258975"	460.151968	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+ACN+Na"	64.015768
"1228402"	262.083868	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+ACN+Na"	64.015768
"1721664"	262.107393	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+NH4+HCOOH"	64.039293
"1185566"	89.011918	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+3Na"	68.967654
"1657277"	267.062788	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na+HCOOH"	68.994688
"164869"	473.05524	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2K-H"	76.91904
"607710"	671.12334	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2K-H"	76.91904
"1095143"	274.98714	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2K-H"	76.91904
"151229"	237.031258	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"2M+2K"	77.926316
"595170"	336.065308	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"3M+2K"	77.926316
"1081868"	137.997208	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2K"	77.926316
"1113616"	277.001692	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2K+H"	78.933592
"1349637"	277.089307	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+DMSO+H"	79.021207
"1018531"	281.128476	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2ACN+H"	83.060376
"1527177"	282.122108	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+IsoProp+Na+H"	84.054008
"993625"	141.067876	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+2ACN+2H"	84.067652
"1595783"	283.036728	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K+HCOOH"	84.968628
"1423631"	313.068238	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+H+CF3COOH"	115.000138
"1159388"	161.581151	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+3ACN+2H"	125.094202
"1712429"	330.094785	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+NH4+CF3COOH"	132.026685
"1645684"	335.05018	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+Na+CF3COOH"	136.98208
"1580241"	351.02412	"C07724"	"12-Dihydroxyfluorene"	"C13H10O2"	"198.0681"	"M+K+CF3COOH"	152.95602
"804046"	230.0579	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M"	0
"974903"	211.03951	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H2O-H"	-19.01839
"66918"	152.364657333333	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-3H"	-3.021828
"508667"	229.050624	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-3H"	-3.021828
"883188"	75.6786906666667	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-3H"	-3.021828
"9419"	229.050624	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H"	-2.014552
"447884"	344.079574	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H"	-2.014552
"824594"	114.021674	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H"	-2.014552
"86773"	459.108524	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-H"	-1.007276
"524147"	689.166424	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-H"	-1.007276
"900855"	229.050624	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H"	-1.007276
"54139"	476.135071	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H+NH4"	16.019271
"492605"	706.192971	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H+NH4"	16.019271
"866155"	246.077171	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H+NH4"	16.019271
"32109"	481.090466	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H+Na"	20.974666
"473860"	711.148366	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H+Na"	20.974666
"852390"	251.032566	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H+Na"	20.974666
"1623018"	251.032566	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na-2H"	20.974666
"103923"	247.038963	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-H+Cl"	33.962126
"549210"	362.067913	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-H+Cl"	33.962126
"941995"	132.010013	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+Cl"	33.962126
"282004"	495.085202	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Cl"	34.969402
"675444"	725.143102	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+Cl"	34.969402
"1287805"	265.027302	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl"	34.969402
"31011"	497.064406	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M-2H+K"	36.948606
"470282"	727.122306	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M-2H+K"	36.948606
"845774"	267.006506	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-2H+K"	36.948606
"1569263"	267.006506	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K-2H"	36.948606
"954962"	275.056094	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+HCOOH"	44.998194
"374270"	505.114001	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+HCOOH-H"	44.998201
"358156"	519.129651	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Hac-H"	59.013851
"1505530"	289.071751	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Hac-H"	59.013851
"968696"	297.038051	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+NaCOOH"	66.980151
"124529"	265.027302	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2Cl"	69.938804
"562997"	380.056252	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2Cl"	69.938804
"1036540"	149.998352	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2Cl"	69.938804
"1256364"	308.976785	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Br"	78.918885
"1319176"	311.032772	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl+HCOOH"	80.974872
"1334233"	333.014729	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl+NaCOOH"	102.956829
"920188"	343.043486	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M-H+CF3COOH"	112.985586
"1299081"	379.020164	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Cl+CF3COOH"	148.962264
"1375055"	195.045224	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H-2H2O"	-35.012676
"1385991"	213.0552	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H-H2O"	-17.0027
"288224"	461.123076	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H"	1.007276
"681376"	691.180976	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H"	1.007276
"1357725"	231.065176	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H"	1.007276
"128427"	231.065176	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2H"	2.014552
"574552"	346.094126	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2H"	2.014552
"1043353"	116.036226	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2H"	2.014552
"210159"	154.379209333333	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+3H"	3.021828
"655191"	231.065176	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+3H"	3.021828
"1167848"	77.6932426666667	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+3H"	3.021828
"438298"	478.149623	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+NH4"	18.033823
"795406"	708.207523	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+NH4"	18.033823
"1695016"	248.091723	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+NH4"	18.033823
"341110"	239.5784495	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H+NH4"	19.041099
"731345"	354.6073995	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H+NH4"	19.041099
"1486258"	124.5494995	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+NH4"	19.041099
"403843"	483.105018	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Na"	22.989218
"767025"	713.162918	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+Na"	22.989218
"1616218"	253.047118	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na"	22.989218
"329295"	242.056147	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H+Na"	23.996494
"720621"	357.085097	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H+Na"	23.996494
"1476389"	127.027197	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+Na"	23.996494
"1055902"	85.0205566666667	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2H+Na"	25.00377
"1259768"	263.091386	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+CH3OH+H"	33.033486
"379070"	499.078958	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+K"	38.963158
"740796"	729.136858	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+K"	38.963158
"1542849"	269.021058	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K"	38.963158
"302940"	250.043117	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+H+K"	39.970434
"697548"	365.072067	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+H+K"	39.970434
"1449188"	135.014167	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+K"	39.970434
"245445"	502.149626	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+ACN+H"	42.033826
"1223141"	272.091726	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+ACN+H"	42.033826
"1203134"	136.549501	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+ACN+2H"	43.041102
"201478"	505.08696	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2Na-H"	44.97116
"640678"	735.14486	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2Na-H"	44.97116
"1144546"	275.02906	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2Na-H"	44.97116
"187113"	253.047118	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2Na"	45.978436
"626428"	368.076068	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2Na"	45.978436
"1129446"	138.018168	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2Na"	45.978436
"1411145"	92.3478706666667	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+2Na"	46.985712
"1438158"	277.070646	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+HCOOH"	47.012746
"226396"	258.08014	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+3H2O+2H"	56.04448
"1513727"	291.12269	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+IsoProp+H"	61.06479
"413050"	261.034088	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+Na+K"	61.952376
"775505"	376.063038	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+Na+K"	61.952376
"1668553"	146.005138	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na+K"	61.952376
"259449"	524.131568	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+ACN+Na"	64.015768
"1233251"	294.073668	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+ACN+Na"	64.015768
"1721774"	294.097193	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+NH4+HCOOH"	64.039293
"1188226"	99.6751846666667	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+3Na"	68.967654
"1657387"	299.052588	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na+HCOOH"	68.994688
"163885"	537.03484	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2K-H"	76.91904
"602716"	767.09274	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2K-H"	76.91904
"1096346"	306.97694	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2K-H"	76.91904
"148057"	269.021058	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"2M+2K"	77.926316
"592726"	384.050008	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"3M+2K"	77.926316
"1077600"	153.992108	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2K"	77.926316
"1111539"	308.991492	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2K+H"	78.933592
"1345008"	309.079107	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+DMSO+H"	79.021207
"1016818"	313.118276	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2ACN+H"	83.060376
"1531661"	314.111908	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+IsoProp+Na+H"	84.054008
"998109"	157.062776	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+2ACN+2H"	84.067652
"1594798"	315.026528	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K+HCOOH"	84.968628
"1424832"	345.058038	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+H+CF3COOH"	115.000138
"1154029"	177.576051	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+3ACN+2H"	125.094202
"1704676"	362.084585	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+NH4+CF3COOH"	132.026685
"1649074"	367.03998	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+Na+CF3COOH"	136.98208
"1580351"	383.01392	"C07725"	"2-Hydroxy-4-(2-oxo-13-dihydro-2H-inden-1-ylidene)but-2-enoic acid"	"C13H10O4"	"230.0579"	"M+K+CF3COOH"	152.95602
"801506"	160.0524	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M"	0
"974771"	141.03401	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-H2O-H"	-19.01839
"65934"	105.694324	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M-3H"	-3.021828
"507684"	159.045124	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M-3H"	-3.021828
"882570"	52.343524	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-3H"	-3.021828
"2969"	159.045124	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M-2H"	-2.014552
"443621"	239.071324	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M-2H"	-2.014552
"824704"	79.018924	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-2H"	-2.014552
"83603"	319.097524	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M-H"	-1.007276
"522068"	479.149924	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M-H"	-1.007276
"902058"	159.045124	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-H"	-1.007276
"55342"	336.124071	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M-2H+NH4"	16.019271
"490528"	496.176471	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M-2H+NH4"	16.019271
"866265"	176.071671	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-2H+NH4"	16.019271
"36232"	341.079466	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M-2H+Na"	20.974666
"473727"	501.131866	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M-2H+Na"	20.974666
"852500"	181.027066	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-2H+Na"	20.974666
"1624221"	181.027066	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Na-2H"	20.974666
"101846"	177.033463	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M-H+Cl"	33.962126
"548951"	257.059663	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M-H+Cl"	33.962126
"941012"	97.007263	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-H+Cl"	33.962126
"280044"	355.074202	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+Cl"	34.969402
"673934"	515.126602	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+Cl"	34.969402
"1286936"	195.021802	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Cl"	34.969402
"27427"	357.053406	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M-2H+K"	36.948606
"468081"	517.105806	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M-2H+K"	36.948606
"839322"	197.001006	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-2H+K"	36.948606
"1568278"	197.001006	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+K-2H"	36.948606
"952886"	205.050594	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-H+HCOOH"	44.998194
"373283"	365.103001	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+HCOOH-H"	44.998201
"356073"	379.118651	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+Hac-H"	59.013851
"1502355"	219.066251	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Hac-H"	59.013851
"966984"	227.032551	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-H+NaCOOH"	66.980151
"119171"	195.021802	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+2Cl"	69.938804
"562014"	275.048002	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+2Cl"	69.938804
"1034093"	114.995602	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2Cl"	69.938804
"1255497"	238.971285	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Br"	78.918885
"1316118"	241.027272	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Cl+HCOOH"	80.974872
"1329239"	263.009229	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Cl+NaCOOH"	102.956829
"921391"	273.037986	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M-H+CF3COOH"	112.985586
"1298098"	309.014664	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Cl+CF3COOH"	148.962264
"1375165"	125.039724	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H-2H2O"	-35.012676
"1385734"	143.0497	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H-H2O"	-17.0027
"285787"	321.112076	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+H"	1.007276
"681485"	481.164476	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+H"	1.007276
"1357834"	161.059676	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H"	1.007276
"131818"	161.059676	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+2H"	2.014552
"568100"	241.085876	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+2H"	2.014552
"1038115"	81.033476	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2H"	2.014552
"205895"	107.708876	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+3H"	3.021828
"648739"	161.059676	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+3H"	3.021828
"1167958"	54.358076	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+3H"	3.021828
"437799"	338.138623	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+NH4"	18.033823
"796608"	498.191023	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+NH4"	18.033823
"1695856"	178.086223	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+NH4"	18.033823
"342313"	169.5729495	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+H+NH4"	19.041099
"735829"	249.5991495	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+H+NH4"	19.041099
"1488554"	89.5467495	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H+NH4"	19.041099
"407233"	343.094018	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+Na"	22.989218
"769321"	503.146418	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+Na"	22.989218
"1617055"	183.041618	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Na"	22.989218
"326362"	172.050647	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+H+Na"	23.996494
"721703"	252.076847	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+H+Na"	23.996494
"1476906"	92.024447	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H+Na"	23.996494
"1054918"	61.68539	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2H+Na"	25.00377
"1258297"	193.085886	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+CH3OH+H"	33.033486
"378816"	359.067958	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+K"	38.963158
"739568"	519.120358	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+K"	38.963158
"1541501"	199.015558	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+K"	38.963158
"301957"	180.037617	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+H+K"	39.970434
"698752"	260.063817	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+H+K"	39.970434
"1448205"	100.011417	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H+K"	39.970434
"245555"	362.138626	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+ACN+H"	42.033826
"1223008"	202.086226	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+ACN+H"	42.033826
"1204337"	101.546751	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+ACN+2H"	43.041102
"202561"	365.07596	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+2Na-H"	44.97116
"642488"	525.12836	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+2Na-H"	44.97116
"1145998"	205.02356	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2Na-H"	44.97116
"183572"	183.041618	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+2Na"	45.978436
"626539"	263.067818	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+2Na"	45.978436
"1130041"	103.015418	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2Na"	45.978436
"1409069"	69.012704	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H+2Na"	46.985712
"1437904"	207.065146	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H+HCOOH"	47.012746
"226506"	188.07464	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+3H2O+2H"	56.04448
"1513837"	221.11719	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+IsoProp+H"	61.06479
"411702"	191.028588	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+Na+K"	61.952376
"772698"	271.054788	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+Na+K"	61.952376
"1667933"	111.002388	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Na+K"	61.952376
"258465"	384.120568	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+ACN+Na"	64.015768
"1229351"	224.068168	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+ACN+Na"	64.015768
"1716416"	224.091693	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+NH4+HCOOH"	64.039293
"1181041"	76.340018	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+3Na"	68.967654
"1658228"	229.047088	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Na+HCOOH"	68.994688
"160349"	397.02384	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+2K-H"	76.91904
"600273"	557.07624	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+2K-H"	76.91904
"1086974"	236.97144	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2K-H"	76.91904
"144887"	199.015558	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"2M+2K"	77.926316
"594659"	279.041758	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"3M+2K"	77.926316
"1076617"	118.989358	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2K"	77.926316
"1105453"	238.985992	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2K+H"	78.933592
"1338558"	239.073607	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+DMSO+H"	79.021207
"1012554"	243.112776	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2ACN+H"	83.060376
"1529584"	244.106408	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+IsoProp+Na+H"	84.054008
"991659"	122.060026	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+2ACN+2H"	84.067652
"1591628"	245.021028	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+K+HCOOH"	84.968628
"1421662"	275.052538	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+H+CF3COOH"	115.000138
"1151952"	142.573301	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+3ACN+2H"	125.094202
"1704785"	292.079085	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+NH4+CF3COOH"	132.026685
"1642624"	297.03448	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+Na+CF3COOH"	136.98208
"1573900"	313.00842	"C07726"	"1-Formyl-2-indanone"	"C10H8O2"	"160.0524"	"M+K+CF3COOH"	152.95602
"803172"	132.0575	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M"	0
"975122"	113.03911	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-H2O-H"	-19.01839
"64951"	87.0310573333333	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M-3H"	-3.021828
"504514"	131.050224	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M-3H"	-3.021828
"882316"	43.0118906666667	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-3H"	-3.021828
"1498"	131.050224	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M-2H"	-2.014552
"441665"	197.078974	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M-2H"	-2.014552
"824814"	65.021474	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-2H"	-2.014552
"80797"	263.107724	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M-H"	-1.007276
"519745"	395.165224	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M-H"	-1.007276
"896209"	131.050224	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-H"	-1.007276
"48278"	280.134271	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M-2H+NH4"	16.019271
"490638"	412.191771	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M-2H+NH4"	16.019271
"868440"	148.076771	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-2H+NH4"	16.019271
"36342"	285.089666	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M-2H+Na"	20.974666
"473837"	417.147166	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M-2H+Na"	20.974666
"851516"	153.032166	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-2H+Na"	20.974666
"1625424"	153.032166	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Na-2H"	20.974666
"100860"	149.038563	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M-H+Cl"	33.962126
"549427"	215.067313	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M-H+Cl"	33.962126
"942457"	83.009813	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-H+Cl"	33.962126
"281126"	299.084402	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+Cl"	34.969402
"675015"	431.141902	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+Cl"	34.969402
"1287938"	167.026902	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Cl"	34.969402
"27537"	301.063606	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M-2H+K"	36.948606
"468191"	433.121106	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M-2H+K"	36.948606
"839432"	169.006106	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-2H+K"	36.948606
"1569118"	169.006106	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+K-2H"	36.948606
"954817"	177.055694	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-H+HCOOH"	44.998194
"373393"	309.113201	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+HCOOH-H"	44.998201
"356183"	323.128851	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+Hac-H"	59.013851
"1503922"	191.071351	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Hac-H"	59.013851
"967093"	199.037651	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-H+NaCOOH"	66.980151
"118188"	167.026902	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+2Cl"	69.938804
"561030"	233.055652	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+2Cl"	69.938804
"1032016"	100.998152	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2Cl"	69.938804
"1253783"	210.976385	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Br"	78.918885
"1316228"	213.032372	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Cl+HCOOH"	80.974872
"1331535"	235.014329	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Cl+NaCOOH"	102.956829
"920407"	245.043086	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M-H+CF3COOH"	112.985586
"1292740"	281.019764	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Cl+CF3COOH"	148.962264
"1375275"	97.044824	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H-2H2O"	-35.012676
"1389489"	115.0548	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H-H2O"	-17.0027
"286258"	265.122276	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+H"	1.007276
"681596"	397.179776	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+H"	1.007276
"1356851"	133.064776	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H"	1.007276
"128647"	133.064776	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+2H"	2.014552
"570396"	199.093526	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+2H"	2.014552
"1039197"	67.036026	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2H"	2.014552
"206369"	89.0456093333333	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+3H"	3.021828
"649213"	133.064776	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+3H"	3.021828
"1166975"	45.0264426666667	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+3H"	3.021828
"435722"	282.148823	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+NH4"	18.033823
"797811"	414.206323	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+NH4"	18.033823
"1694143"	150.091323	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+NH4"	18.033823
"343516"	141.5780495	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+H+NH4"	19.041099
"734845"	207.6067995	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+H+NH4"	19.041099
"1490850"	75.5492995	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H+NH4"	19.041099
"407343"	287.104218	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+Na"	22.989218
"768704"	419.161718	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+Na"	22.989218
"1617165"	155.046718	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Na"	22.989218
"326472"	144.055747	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+H+Na"	23.996494
"718896"	210.084497	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+H+Na"	23.996494
"1474906"	78.026997	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H+Na"	23.996494
"1053937"	52.3537566666667	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2H+Na"	25.00377
"1257124"	165.090986	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+CH3OH+H"	33.033486
"377381"	303.078158	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+K"	38.963158
"738704"	435.135658	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+K"	38.963158
"1540883"	171.020658	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+K"	38.963158
"301339"	152.042717	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+H+K"	39.970434
"696676"	218.071467	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+H+K"	39.970434
"1449408"	86.013967	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H+K"	39.970434
"244572"	306.148826	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+ACN+H"	42.033826
"1224456"	174.091326	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+ACN+H"	42.033826
"1204448"	87.549301	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+ACN+2H"	43.041102
"201699"	309.08616	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+2Na-H"	44.97116
"643085"	441.14366	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+2Na-H"	44.97116
"1146234"	177.02866	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2Na-H"	44.97116
"180402"	155.046718	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+2Na"	45.978436
"627743"	221.075468	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+2Na"	45.978436
"1130515"	89.017968	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2Na"	45.978436
"1405899"	59.6810706666667	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H+2Na"	46.985712
"1438014"	179.070246	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H+HCOOH"	47.012746
"226616"	160.07974	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+3H2O+2H"	56.04448
"1514676"	193.12229	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+IsoProp+H"	61.06479
"413270"	163.033688	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+Na+K"	61.952376
"773901"	229.062438	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+Na+K"	61.952376
"1671688"	97.004938	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Na+K"	61.952376
"258575"	328.130768	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+ACN+Na"	64.015768
"1230554"	196.073268	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+ACN+Na"	64.015768
"1716526"	196.096793	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+NH4+HCOOH"	64.039293
"1180787"	67.0083846666667	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+3Na"	68.967654
"1656151"	201.052188	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Na+HCOOH"	68.994688
"161187"	341.03404	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+2K-H"	76.91904
"599411"	473.09154	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+2K-H"	76.91904
"1086355"	208.97654	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2K-H"	76.91904
"144997"	171.020658	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"2M+2K"	77.926316
"593310"	237.049408	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"3M+2K"	77.926316
"1076727"	104.991908	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2K"	77.926316
"1107749"	210.991092	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2K+H"	78.933592
"1341948"	211.078707	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+DMSO+H"	79.021207
"1015944"	215.117876	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2ACN+H"	83.060376
"1526414"	216.111508	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+IsoProp+Na+H"	84.054008
"991769"	108.062576	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+2ACN+2H"	84.067652
"1591738"	217.026128	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+K+HCOOH"	84.968628
"1421772"	247.057638	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+H+CF3COOH"	115.000138
"1150969"	128.575851	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+3ACN+2H"	125.094202
"1704895"	264.084185	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+NH4+CF3COOH"	132.026685
"1642734"	269.03958	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+Na+CF3COOH"	136.98208
"1574010"	285.01352	"C07727"	"2-Indanone;2H-Inden-2-one 13-dihydro-"	"C9H8O"	"132.0575"	"M+K+CF3COOH"	152.95602
"804376"	148.0524	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M"	0
"977906"	129.03401	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-H2O-H"	-19.01839
"70531"	97.694324	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M-3H"	-3.021828
"508997"	147.045124	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M-3H"	-3.021828
"884977"	48.343524	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-3H"	-3.021828
"4646"	147.045124	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M-2H"	-2.014552
"444206"	221.071324	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M-2H"	-2.014552
"824924"	73.018924	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-2H"	-2.014552
"90384"	295.097524	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M-H"	-1.007276
"527757"	443.149924	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M-H"	-1.007276
"902278"	147.045124	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-H"	-1.007276
"52280"	312.124071	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M-2H+NH4"	16.019271
"490747"	460.176471	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M-2H+NH4"	16.019271
"864536"	164.071671	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-2H+NH4"	16.019271
"36452"	317.079466	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M-2H+Na"	20.974666
"474919"	465.131866	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M-2H+Na"	20.974666
"853812"	169.027066	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-2H+Na"	20.974666
"1623345"	169.027066	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Na-2H"	20.974666
"102063"	165.033463	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M-H+Cl"	33.962126
"546001"	239.059663	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M-H+Cl"	33.962126
"942779"	91.007263	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-H+Cl"	33.962126
"281966"	331.074202	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+Cl"	34.969402
"672685"	479.126602	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+Cl"	34.969402
"1288212"	183.021802	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Cl"	34.969402
"31219"	333.053406	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M-2H+K"	36.948606
"470489"	481.105806	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M-2H+K"	36.948606
"846833"	185.001006	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-2H+K"	36.948606
"1568500"	185.001006	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+K-2H"	36.948606
"956020"	193.050594	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-H+HCOOH"	44.998194
"372412"	341.103001	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+HCOOH-H"	44.998201
"356294"	355.118651	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+Hac-H"	59.013851
"1501845"	207.066251	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Hac-H"	59.013851
"968294"	215.032551	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-H+NaCOOH"	66.980151
"121577"	183.021802	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+2Cl"	69.938804
"560044"	257.048002	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+2Cl"	69.938804
"1034314"	108.995602	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2Cl"	69.938804
"1256077"	226.971285	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Br"	78.918885
"1319013"	229.027272	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Cl+HCOOH"	80.974872
"1325085"	251.009229	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Cl+NaCOOH"	102.956829
"920517"	261.037986	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M-H+CF3COOH"	112.985586
"1292850"	297.014664	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Cl+CF3COOH"	148.962264
"1375385"	113.039724	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H-2H2O"	-35.012676
"1385589"	131.0497	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H-H2O"	-17.0027
"286002"	297.112076	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+H"	1.007276
"677696"	445.164476	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+H"	1.007276
"1356961"	149.059676	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H"	1.007276
"127663"	149.059676	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+2H"	2.014552
"566859"	223.085876	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+2H"	2.014552
"1038576"	75.033476	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2H"	2.014552
"207209"	99.708876	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+3H"	3.021828
"651146"	149.059676	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+3H"	3.021828
"1170365"	50.358076	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+3H"	3.021828
"435832"	314.138623	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+NH4"	18.033823
"797921"	462.191023	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+NH4"	18.033823
"1695346"	166.086223	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+NH4"	18.033823
"343626"	157.5729495	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+H+NH4"	19.041099
"734955"	231.5991495	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+H+NH4"	19.041099
"1489870"	83.5467495	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H+NH4"	19.041099
"405268"	319.094018	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+Na"	22.989218
"766260"	467.146418	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+Na"	22.989218
"1615452"	171.041618	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Na"	22.989218
"323302"	160.050647	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+H+Na"	23.996494
"716818"	234.076847	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+H+Na"	23.996494
"1471731"	86.024447	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H+Na"	23.996494
"1064977"	57.68539	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2H+Na"	25.00377
"1266655"	181.085886	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+CH3OH+H"	33.033486
"381950"	335.067958	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+K"	38.963158
"741851"	483.120358	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+K"	38.963158
"1542810"	187.015558	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+K"	38.963158
"300350"	168.037617	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+H+K"	39.970434
"693864"	242.063817	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+H+K"	39.970434
"1448047"	94.011417	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H+K"	39.970434
"237746"	338.138626	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+ACN+H"	42.033826
"1223957"	190.086226	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+ACN+H"	42.033826
"1203462"	95.546751	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+ACN+2H"	43.041102
"204123"	341.07596	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+2Na-H"	44.97116
"643815"	489.12836	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+2Na-H"	44.97116
"1146588"	193.02356	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2Na-H"	44.97116
"187073"	171.041618	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+2Na"	45.978436
"628506"	245.067818	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+2Na"	45.978436
"1131192"	97.015418	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2Na"	45.978436
"1413785"	65.012704	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H+2Na"	46.985712
"1441406"	195.065146	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H+HCOOH"	47.012746
"226726"	176.07464	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+3H2O+2H"	56.04448
"1514787"	209.11719	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+IsoProp+H"	61.06479
"413380"	179.028588	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+Na+K"	61.952376
"774012"	253.054788	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+Na+K"	61.952376
"1669976"	105.002388	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Na+K"	61.952376
"259049"	360.120568	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+ACN+Na"	64.015768
"1230664"	212.068168	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+ACN+Na"	64.015768
"1716636"	212.091693	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+NH4+HCOOH"	64.039293
"1180897"	72.340018	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+3Na"	68.967654
"1661363"	217.047088	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Na+HCOOH"	68.994688
"163121"	373.02384	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+2K-H"	76.91904
"599885"	521.07624	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+2K-H"	76.91904
"1086344"	224.97144	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2K-H"	76.91904
"145107"	187.015558	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"2M+2K"	77.926316
"595123"	261.041758	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"3M+2K"	77.926316
"1077931"	112.989358	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2K"	77.926316
"1110046"	226.985992	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2K+H"	78.933592
"1345338"	227.073607	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+DMSO+H"	79.021207
"1016054"	231.112776	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2ACN+H"	83.060376
"1527617"	232.106408	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+IsoProp+Na+H"	84.054008
"991879"	116.060026	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+2ACN+2H"	84.067652
"1591848"	233.021028	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+K+HCOOH"	84.968628
"1425162"	263.052538	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+H+CF3COOH"	115.000138
"1151079"	136.573301	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+3ACN+2H"	125.094202
"1705005"	280.079085	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+NH4+CF3COOH"	132.026685
"1642844"	285.03448	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+Na+CF3COOH"	136.98208
"1574120"	301.00842	"C07728"	"3-Isochromanone;14-Dihydro-3H-2-benzopyran-3-one"	"C9H8O2"	"148.0524"	"M+K+CF3COOH"	152.95602
"802299"	168.0575	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M"	0
"978017"	149.03911	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-H2O-H"	-19.01839
"65171"	111.031057333333	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M-3H"	-3.021828
"503760"	167.050224	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M-3H"	-3.021828
"885814"	55.0118906666667	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-3H"	-3.021828
"4390"	167.050224	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M-2H"	-2.014552
"446138"	251.078974	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M-2H"	-2.014552
"817145"	83.021474	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-2H"	-2.014552
"83932"	335.107724	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M-H"	-1.007276
"527867"	503.165224	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M-H"	-1.007276
"902388"	167.050224	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-H"	-1.007276
"52390"	352.134271	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M-2H+NH4"	16.019271
"490856"	520.191771	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M-2H+NH4"	16.019271
"865133"	184.076771	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-2H+NH4"	16.019271
"38748"	357.089666	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M-2H+Na"	20.974666
"476120"	525.147166	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M-2H+Na"	20.974666
"852829"	189.032166	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-2H+Na"	20.974666
"1621269"	189.032166	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Na-2H"	20.974666
"97798"	185.038563	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M-H+Cl"	33.962126
"543925"	269.067313	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M-H+Cl"	33.962126
"942593"	101.009813	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-H+Cl"	33.962126
"280740"	371.084402	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+Cl"	34.969402
"671701"	539.141902	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+Cl"	34.969402
"1283013"	203.026902	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Cl"	34.969402
"27757"	373.063606	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M-2H+K"	36.948606
"470600"	541.121106	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M-2H+K"	36.948606
"846943"	205.006106	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-2H+K"	36.948606
"1569703"	205.006106	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+K-2H"	36.948606
"955766"	213.055694	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-H+HCOOH"	44.998194
"373616"	381.113201	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+HCOOH-H"	44.998201
"356404"	395.128851	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+Hac-H"	59.013851
"1503048"	227.071351	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Hac-H"	59.013851
"967311"	235.037651	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-H+NaCOOH"	66.980151
"122781"	203.026902	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+2Cl"	69.938804
"560154"	287.055652	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+2Cl"	69.938804
"1034425"	118.998152	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2Cl"	69.938804
"1256187"	246.976385	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Br"	78.918885
"1318273"	249.032372	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Cl+HCOOH"	80.974872
"1328475"	271.014329	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Cl+NaCOOH"	102.956829
"920627"	281.043086	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M-H+CF3COOH"	112.985586
"1292960"	317.019764	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Cl+CF3COOH"	148.962264
"1375495"	133.044824	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H-2H2O"	-35.012676
"1389707"	151.0548	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H-H2O"	-17.0027
"287571"	337.122276	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+H"	1.007276
"680722"	505.179776	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+H"	1.007276
"1358162"	169.064776	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H"	1.007276
"129594"	169.064776	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+2H"	2.014552
"567333"	253.093526	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+2H"	2.014552
"1037594"	85.036026	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2H"	2.014552
"206226"	113.045609333333	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+3H"	3.021828
"650163"	169.064776	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+3H"	3.021828
"1172662"	57.0264426666667	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+3H"	3.021828
"434848"	354.148823	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+NH4"	18.033823
"793655"	522.206323	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+NH4"	18.033823
"1694362"	186.091323	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+NH4"	18.033823
"343980"	177.5780495	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+H+NH4"	19.041099
"736158"	261.6067995	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+H+NH4"	19.041099
"1488887"	93.5492995	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H+NH4"	19.041099
"405743"	359.104218	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+Na"	22.989218
"764183"	527.161718	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+Na"	22.989218
"1615562"	191.046718	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Na"	22.989218
"323412"	180.055747	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+H+Na"	23.996494
"719967"	264.084497	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+H+Na"	23.996494
"1471841"	96.026997	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H+Na"	23.996494
"1064723"	64.3537566666667	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2H+Na"	25.00377
"1264578"	201.090986	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+CH3OH+H"	33.033486
"383153"	375.078158	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+K"	38.963158
"741961"	543.135658	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+K"	38.963158
"1545107"	207.020658	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+K"	38.963158
"303376"	188.042717	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+H+K"	39.970434
"692517"	272.071467	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+H+K"	39.970434
"1446700"	104.013967	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H+K"	39.970434
"235868"	378.148826	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+ACN+H"	42.033826
"1223703"	210.091326	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+ACN+H"	42.033826
"1204666"	105.549301	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+ACN+2H"	43.041102
"203993"	381.08616	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+2Na-H"	44.97116
"644150"	549.14366	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+2Na-H"	44.97116
"1147033"	213.02866	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2Na-H"	44.97116
"184996"	191.046718	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+2Na"	45.978436
"628495"	275.075468	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+2Na"	45.978436
"1130857"	107.017968	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2Na"	45.978436
"1413735"	71.6810706666667	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H+2Na"	46.985712
"1441516"	215.070246	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H+HCOOH"	47.012746
"225743"	196.07974	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+3H2O+2H"	56.04448
"1514897"	229.12229	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+IsoProp+H"	61.06479
"412033"	199.033688	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+Na+K"	61.952376
"773029"	283.062438	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+Na+K"	61.952376
"1665834"	115.004938	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Na+K"	61.952376
"256609"	400.130768	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+ACN+Na"	64.015768
"1227495"	232.073268	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+ACN+Na"	64.015768
"1718205"	232.096793	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+NH4+HCOOH"	64.039293
"1178978"	79.0083846666667	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+3Na"	68.967654
"1658557"	237.052188	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Na+HCOOH"	68.994688
"161407"	413.03404	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+2K-H"	76.91904
"599267"	581.09154	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+2K-H"	76.91904
"1087305"	244.97654	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2K-H"	76.91904
"145217"	207.020658	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"2M+2K"	77.926316
"594625"	291.049408	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"3M+2K"	77.926316
"1076947"	122.991908	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2K"	77.926316
"1109792"	246.991092	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2K+H"	78.933592
"1342168"	247.078707	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+DMSO+H"	79.021207
"1016165"	251.117876	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2ACN+H"	83.060376
"1527726"	252.111508	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+IsoProp+Na+H"	84.054008
"991137"	126.062576	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+2ACN+2H"	84.067652
"1593051"	253.026128	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+K+HCOOH"	84.968628
"1425272"	283.057638	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+H+CF3COOH"	115.000138
"1151189"	146.575851	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+3ACN+2H"	125.094202
"1701835"	300.084185	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+NH4+CF3COOH"	132.026685
"1642954"	305.03958	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+Na+CF3COOH"	136.98208
"1574230"	321.01352	"C07729"	"Dibenzofuran;Diphenylene oxide"	"C12H8O"	"168.0575"	"M+K+CF3COOH"	152.95602
"805688"	234.0528	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M"	0
"977033"	215.03441	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-H2O-H"	-19.01839
"66738"	155.027924	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M-3H"	-3.021828
"507028"	233.045524	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M-3H"	-3.021828
"885923"	77.010324	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-3H"	-3.021828
"5593"	233.045524	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M-2H"	-2.014552
"442967"	350.071924	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M-2H"	-2.014552
"817527"	116.019124	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-2H"	-2.014552
"82947"	467.098324	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M-H"	-1.007276
"521414"	701.151124	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M-H"	-1.007276
"895883"	233.045524	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-H"	-1.007276
"53592"	484.124871	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M-2H+NH4"	16.019271
"492059"	718.177671	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M-2H+NH4"	16.019271
"866580"	250.072071	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-2H+NH4"	16.019271
"42137"	489.080266	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M-2H+Na"	20.974666
"478416"	723.133066	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M-2H+Na"	20.974666
"852938"	255.027466	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-2H+Na"	20.974666
"1625751"	255.027466	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Na-2H"	20.974666
"101185"	251.033863	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M-H+Cl"	33.962126
"543299"	368.060263	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M-H+Cl"	33.962126
"937551"	134.007463	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-H+Cl"	33.962126
"281579"	503.075002	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+Cl"	34.969402
"671810"	737.127802	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+Cl"	34.969402
"1286281"	269.022202	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Cl"	34.969402
"31028"	505.054206	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M-2H+K"	36.948606
"470222"	739.107006	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M-2H+K"	36.948606
"848255"	271.001406	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-2H+K"	36.948606
"1569689"	271.001406	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+K-2H"	36.948606
"957331"	279.050994	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-H+HCOOH"	44.998194
"372631"	513.103801	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+HCOOH-H"	44.998201
"356514"	527.119451	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+Hac-H"	59.013851
"1500971"	293.066651	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Hac-H"	59.013851
"967419"	301.032951	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-H+NaCOOH"	66.980151
"120702"	269.022202	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+2Cl"	69.938804
"560261"	386.048602	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+2Cl"	69.938804
"1033436"	151.995802	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2Cl"	69.938804
"1256295"	312.971685	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Br"	78.918885
"1316555"	315.027672	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Cl+HCOOH"	80.974872
"1329678"	337.009629	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Cl+NaCOOH"	102.956829
"921830"	347.038386	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M-H+CF3COOH"	112.985586
"1291611"	383.015064	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Cl+CF3COOH"	148.962264
"1373418"	199.040124	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H-2H2O"	-35.012676
"1387995"	217.0501	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H-H2O"	-17.0027
"288045"	469.112876	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+H"	1.007276
"680466"	703.165676	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+H"	1.007276
"1358272"	235.060076	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H"	1.007276
"131162"	235.060076	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+2H"	2.014552
"571814"	352.086476	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+2H"	2.014552
"1038797"	118.033676	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2H"	2.014552
"207429"	157.042476	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+3H"	3.021828
"652459"	235.060076	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+3H"	3.021828
"1174958"	79.024876	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+3H"	3.021828
"433865"	486.139423	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+NH4"	18.033823
"793765"	720.192223	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+NH4"	18.033823
"1693379"	252.086623	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+NH4"	18.033823
"342753"	243.5733495	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+H+NH4"	19.041099
"734082"	360.5997495	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+H+NH4"	19.041099
"1491548"	126.5469495	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H+NH4"	19.041099
"407552"	491.094818	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+Na"	22.989218
"764293"	725.147618	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+Na"	22.989218
"1612391"	257.042018	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Na"	22.989218
"323522"	246.051047	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+H+Na"	23.996494
"718131"	363.077447	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+H+Na"	23.996494
"1471951"	129.024647	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H+Na"	23.996494
"1060822"	86.35219	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2H+Na"	25.00377
"1264687"	267.086286	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+CH3OH+H"	33.033486
"384356"	507.068758	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+K"	38.963158
"742070"	741.121558	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+K"	38.963158
"1543392"	273.015958	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+K"	38.963158
"302393"	254.038017	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+H+K"	39.970434
"692627"	371.064417	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+H+K"	39.970434
"1448633"	137.011617	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H+K"	39.970434
"236751"	510.139426	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+ACN+H"	42.033826
"1222720"	276.086626	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+ACN+H"	42.033826
"1205504"	138.546951	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+ACN+2H"	43.041102
"204108"	513.07676	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+2Na-H"	44.97116
"643908"	747.12956	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+2Na-H"	44.97116
"1145707"	279.02396	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2Na-H"	44.97116
"184743"	257.042018	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+2Na"	45.978436
"626492"	374.068418	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+2Na"	45.978436
"1128172"	140.015618	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2Na"	45.978436
"1410970"	93.679504	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H+2Na"	46.985712
"1437252"	281.065546	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H+HCOOH"	47.012746
"225853"	262.07504	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+3H2O+2H"	56.04448
"1511363"	295.11759	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+IsoProp+H"	61.06479
"411778"	265.028988	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+Na+K"	61.952376
"773139"	382.055388	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+Na+K"	61.952376
"1666916"	148.002588	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Na+K"	61.952376
"256719"	532.121368	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+ACN+Na"	64.015768
"1227240"	298.068568	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+ACN+Na"	64.015768
"1713939"	298.092093	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+NH4+HCOOH"	64.039293
"1181845"	101.006818	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+3Na"	68.967654
"1653198"	303.047488	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Na+HCOOH"	68.994688
"157421"	545.02464	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+2K-H"	76.91904
"600714"	779.07744	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+2K-H"	76.91904
"1087415"	310.97184	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2K-H"	76.91904
"146419"	273.015958	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"2M+2K"	77.926316
"595344"	390.042358	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"3M+2K"	77.926316
"1077057"	155.989558	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2K"	77.926316
"1105891"	312.986392	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2K+H"	78.933592
"1338997"	313.074007	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+DMSO+H"	79.021207
"1012994"	317.113176	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2ACN+H"	83.060376
"1526136"	318.106808	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+IsoProp+Na+H"	84.054008
"991126"	159.060226	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+2ACN+2H"	84.067652
"1590974"	319.021428	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+K+HCOOH"	84.968628
"1426475"	349.052938	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+H+CF3COOH"	115.000138
"1152391"	179.573501	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+3ACN+2H"	125.094202
"1701945"	366.079485	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+NH4+CF3COOH"	132.026685
"1643064"	371.03488	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+Na+CF3COOH"	136.98208
"1574340"	387.00882	"C07731"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-24-dienoate"	"C12H10O5"	"234.0528"	"M+K+CF3COOH"	152.95602
"807987"	184.0524	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M"	0
"975443"	165.03401	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-H2O-H"	-19.01839
"67578"	121.694324	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M-3H"	-3.021828
"506046"	183.045124	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M-3H"	-3.021828
"887127"	60.343524	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-3H"	-3.021828
"5703"	183.045124	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M-2H"	-2.014552
"443077"	275.071324	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M-2H"	-2.014552
"818081"	91.018924	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-2H"	-2.014552
"83057"	367.097524	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M-H"	-1.007276
"521524"	551.149924	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M-H"	-1.007276
"896279"	183.045124	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-H"	-1.007276
"52609"	384.124071	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M-2H+NH4"	16.019271
"492169"	568.176471	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M-2H+NH4"	16.019271
"865597"	200.071671	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-2H+NH4"	16.019271
"43340"	389.079466	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M-2H+Na"	20.974666
"478526"	573.131866	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M-2H+Na"	20.974666
"853048"	205.027066	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-2H+Na"	20.974666
"1622581"	205.027066	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Na-2H"	20.974666
"100202"	201.033463	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M-H+Cl"	33.962126
"543044"	293.059663	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M-H+Cl"	33.962126
"934378"	109.007263	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-H+Cl"	33.962126
"278403"	403.074202	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+Cl"	34.969402
"668640"	587.126602	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+Cl"	34.969402
"1284325"	219.021802	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Cl"	34.969402
"27975"	405.053406	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M-2H+K"	36.948606
"466442"	589.105806	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M-2H+K"	36.948606
"844243"	221.001006	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-2H+K"	36.948606
"1569921"	221.001006	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+K-2H"	36.948606
"957438"	229.050594	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-H+HCOOH"	44.998194
"371647"	413.103001	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+HCOOH-H"	44.998201
"355530"	427.118651	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+Hac-H"	59.013851
"1501081"	243.066251	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Hac-H"	59.013851
"964249"	251.032551	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-H+NaCOOH"	66.980151
"118625"	219.021802	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+2Cl"	69.938804
"559278"	311.048002	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+2Cl"	69.938804
"1033546"	126.995602	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2Cl"	69.938804
"1249843"	262.971285	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Br"	78.918885
"1310104"	265.027272	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Cl+HCOOH"	80.974872
"1326507"	287.009229	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Cl+NaCOOH"	102.956829
"921940"	297.037986	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M-H+CF3COOH"	112.985586
"1294272"	333.014664	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Cl+CF3COOH"	148.962264
"1373528"	149.039724	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H-2H2O"	-35.012676
"1389929"	167.0497	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H-H2O"	-17.0027
"284267"	369.112076	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+H"	1.007276
"677661"	553.164476	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+H"	1.007276
"1352917"	185.059676	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H"	1.007276
"127992"	185.059676	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+2H"	2.014552
"567551"	277.085876	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+2H"	2.014552
"1038056"	93.033476	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2H"	2.014552
"206809"	123.708876	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+3H"	3.021828
"652569"	185.059676	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+3H"	3.021828
"1173975"	62.358076	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+3H"	3.021828
"433975"	386.138623	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+NH4"	18.033823
"791689"	570.191023	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+NH4"	18.033823
"1692398"	202.086223	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+NH4"	18.033823
"339582"	193.5729495	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+H+NH4"	19.041099
"730909"	285.5991495	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+H+NH4"	19.041099
"1484730"	101.5467495	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H+NH4"	19.041099
"404501"	391.094018	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+Na"	22.989218
"763310"	575.146418	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+Na"	22.989218
"1609221"	207.041618	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Na"	22.989218
"318165"	196.050647	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+H+Na"	23.996494
"718241"	288.076847	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+H+Na"	23.996494
"1468781"	104.024447	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H+Na"	23.996494
"1059839"	69.68539	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2H+Na"	25.00377
"1261517"	217.085886	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+CH3OH+H"	33.033486
"384466"	407.067958	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+K"	38.963158
"741087"	591.120358	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+K"	38.963158
"1541680"	223.015558	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+K"	38.963158
"299949"	204.037617	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+H+K"	39.970434
"692370"	296.063817	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+H+K"	39.970434
"1446188"	112.011417	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H+K"	39.970434
"236372"	410.138626	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+ACN+H"	42.033826
"1224288"	226.086226	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+ACN+H"	42.033826
"1204885"	113.546751	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+ACN+2H"	43.041102
"202996"	413.07596	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+2Na-H"	44.97116
"643043"	597.12836	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+2Na-H"	44.97116
"1144845"	229.02356	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2Na-H"	44.97116
"185584"	207.041618	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+2Na"	45.978436
"623684"	299.067818	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+2Na"	45.978436
"1127922"	115.015418	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2Na"	45.978436
"1413267"	77.012704	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H+2Na"	46.985712
"1439185"	231.065146	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H+HCOOH"	47.012746
"225962"	212.07464	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+3H2O+2H"	56.04448
"1514025"	245.11719	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+IsoProp+H"	61.06479
"413709"	215.028588	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+Na+K"	61.952376
"775801"	307.054788	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+Na+K"	61.952376
"1668849"	123.002388	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Na+K"	61.952376
"256829"	432.120568	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+ACN+Na"	64.015768
"1229902"	248.068168	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+ACN+Na"	64.015768
"1717695"	248.091693	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+NH4+HCOOH"	64.039293
"1184146"	84.340018	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+3Na"	68.967654
"1657685"	253.047088	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Na+HCOOH"	68.994688
"162724"	445.02384	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+2K-H"	76.91904
"597908"	629.07624	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+2K-H"	76.91904
"1090805"	260.97144	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2K-H"	76.91904
"148352"	223.015558	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"2M+2K"	77.926316
"595454"	315.041758	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"3M+2K"	77.926316
"1077167"	130.989358	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2K"	77.926316
"1106001"	262.985992	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2K+H"	78.933592
"1342387"	263.073607	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+DMSO+H"	79.021207
"1016020"	267.112776	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2ACN+H"	83.060376
"1527947"	268.106408	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+IsoProp+Na+H"	84.054008
"995490"	134.060026	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+2ACN+2H"	84.067652
"1593273"	269.021028	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+K+HCOOH"	84.968628
"1424399"	299.052538	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+H+CF3COOH"	115.000138
"1152503"	154.573301	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+3ACN+2H"	125.094202
"1702056"	316.079085	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+NH4+CF3COOH"	132.026685
"1639893"	321.03448	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+Na+CF3COOH"	136.98208
"1581011"	337.00842	"C07732"	"Dibenzo-p-dioxin"	"C12H8O2"	"184.0524"	"M+K+CF3COOH"	152.95602
"805908"	218.0579	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M"	0
"976888"	199.03951	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-H2O-H"	-19.01839
"68782"	144.364657333333	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M-3H"	-3.021828
"511623"	217.050624	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M-3H"	-3.021828
"883957"	71.6786906666667	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-3H"	-3.021828
"10185"	217.050624	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M-2H"	-2.014552
"444281"	326.079574	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M-2H"	-2.014552
"819893"	108.021674	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-2H"	-2.014552
"82074"	435.108524	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M-H"	-1.007276
"520176"	653.166424	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M-H"	-1.007276
"897004"	217.050624	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-H"	-1.007276
"51626"	452.135071	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M-2H+NH4"	16.019271
"490092"	670.192971	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M-2H+NH4"	16.019271
"865828"	234.077171	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-2H+NH4"	16.019271
"41264"	457.090466	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M-2H+Na"	20.974666
"481917"	675.148366	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M-2H+Na"	20.974666
"854252"	239.032566	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-2H+Na"	20.974666
"1627065"	239.032566	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Na-2H"	20.974666
"100313"	235.038963	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M-H+Cl"	33.962126
"540968"	344.067913	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M-H+Cl"	33.962126
"933392"	126.010013	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-H+Cl"	33.962126
"278513"	471.085202	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+Cl"	34.969402
"668745"	689.143102	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+Cl"	34.969402
"1285528"	253.027302	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Cl"	34.969402
"28085"	473.064406	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M-2H+K"	36.948606
"466552"	691.122306	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M-2H+K"	36.948606
"844353"	255.006506	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-2H+K"	36.948606
"1570395"	255.006506	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+K-2H"	36.948606
"958348"	263.056094	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-H+HCOOH"	44.998194
"372851"	481.114001	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+HCOOH-H"	44.998201
"354547"	495.129651	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+Hac-H"	59.013851
"1504473"	277.071751	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Hac-H"	59.013851
"962171"	285.038051	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-H+NaCOOH"	66.980151
"119828"	253.027302	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+2Cl"	69.938804
"557201"	362.056252	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+2Cl"	69.938804
"1032563"	143.998352	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2Cl"	69.938804
"1254329"	296.976785	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Br"	78.918885
"1315682"	299.032772	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Cl+HCOOH"	80.974872
"1323337"	321.014729	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Cl+NaCOOH"	102.956829
"915489"	331.043486	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M-H+CF3COOH"	112.985586
"1293289"	367.020164	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Cl+CF3COOH"	148.962264
"1370357"	183.045224	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H-2H2O"	-35.012676
"1386758"	201.0552	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H-H2O"	-17.0027
"284982"	437.123076	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+H"	1.007276
"678134"	655.180976	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+H"	1.007276
"1354480"	219.065176	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H"	1.007276
"127008"	219.065176	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+2H"	2.014552
"567053"	328.094126	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+2H"	2.014552
"1037195"	110.036226	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2H"	2.014552
"205460"	146.379209333333	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+3H"	3.021828
"651586"	219.065176	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+3H"	3.021828
"1167523"	73.6932426666667	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+3H"	3.021828
"429712"	454.149623	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+NH4"	18.033823
"791798"	672.207523	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+NH4"	18.033823
"1690319"	236.091723	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+NH4"	18.033823
"338597"	227.5784495	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+H+NH4"	19.041099
"729925"	336.6073995	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+H+NH4"	19.041099
"1485932"	118.5494995	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H+NH4"	19.041099
"401332"	459.105018	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+Na"	22.989218
"761232"	677.162918	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+Na"	22.989218
"1609330"	241.047118	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Na"	22.989218
"320461"	230.056147	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+H+Na"	23.996494
"719444"	339.085097	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+H+Na"	23.996494
"1471077"	121.027197	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H+Na"	23.996494
"1063229"	81.0205566666667	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2H+Na"	25.00377
"1264907"	251.091386	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+CH3OH+H"	33.033486
"382389"	475.078958	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+K"	38.963158
"739738"	693.136858	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+K"	38.963158
"1542519"	257.021058	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+K"	38.963158
"302611"	238.043117	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+H+K"	39.970434
"695034"	347.072067	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+H+K"	39.970434
"1451040"	129.014167	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H+K"	39.970434
"235886"	478.149626	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+ACN+H"	42.033826
"1222575"	260.091726	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+ACN+H"	42.033826
"1202809"	130.549501	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+ACN+2H"	43.041102
"202616"	481.08696	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+2Na-H"	44.97116
"642176"	699.14486	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+2Na-H"	44.97116
"1144589"	263.02906	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2Na-H"	44.97116
"185331"	241.047118	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+2Na"	45.978436
"623793"	350.076068	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+2Na"	45.978436
"1127301"	132.018168	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2Na"	45.978436
"1410825"	88.3478706666667	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H+2Na"	46.985712
"1437472"	265.070646	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H+HCOOH"	47.012746
"225342"	246.08014	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+3H2O+2H"	56.04448
"1514135"	279.12269	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+IsoProp+H"	61.06479
"412726"	249.034088	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+Na+K"	61.952376
"774088"	358.063038	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+Na+K"	61.952376
"1670416"	140.005138	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Na+K"	61.952376
"255481"	500.131568	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+ACN+Na"	64.015768
"1230012"	282.073668	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+ACN+Na"	64.015768
"1717805"	282.097193	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+NH4+HCOOH"	64.039293
"1184619"	95.6751846666667	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+3Na"	68.967654
"1656700"	287.052588	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Na+HCOOH"	68.994688
"163562"	513.03484	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+2K-H"	76.91904
"600935"	731.09274	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+2K-H"	76.91904
"1085933"	294.97694	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2K-H"	76.91904
"149919"	257.021058	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"2M+2K"	77.926316
"593860"	366.050008	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"3M+2K"	77.926316
"1077277"	147.992108	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2K"	77.926316
"1102831"	296.991492	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2K+H"	78.933592
"1342497"	297.079107	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+DMSO+H"	79.021207
"1013214"	301.118276	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2ACN+H"	83.060376
"1529152"	302.111908	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+IsoProp+Na+H"	84.054008
"995600"	151.062776	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+2ACN+2H"	84.067652
"1593383"	303.026528	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+K+HCOOH"	84.968628
"1428155"	333.058038	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+H+CF3COOH"	115.000138
"1152613"	171.576051	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+3ACN+2H"	125.094202
"1704353"	350.084585	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+NH4+CF3COOH"	132.026685
"1640003"	355.03998	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+Na+CF3COOH"	136.98208
"1581121"	371.01392	"C07733"	"223-Trihydroxydiphenylether"	"C12H10O4"	"218.0579"	"M+K+CF3COOH"	152.95602
"801888"	250.0477	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M"	0
"975540"	231.02931	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-H2O-H"	-19.01839
"71079"	165.691190666667	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M-3H"	-3.021828
"511733"	249.040424	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M-3H"	-3.021828
"886255"	82.3419573333333	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-3H"	-3.021828
"4829"	249.040424	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M-2H"	-2.014552
"447671"	374.064274	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M-2H"	-2.014552
"820004"	124.016574	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-2H"	-2.014552
"83277"	499.088124	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M-H"	-1.007276
"522838"	749.135824	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M-H"	-1.007276
"899909"	249.040424	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-H"	-1.007276
"53923"	516.114671	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M-2H+NH4"	16.019271
"490202"	766.162371	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M-2H+NH4"	16.019271
"868004"	266.066971	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-2H+NH4"	16.019271
"39186"	521.070066	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M-2H+Na"	20.974666
"474736"	771.117766	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M-2H+Na"	20.974666
"849986"	271.022366	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-2H+Na"	20.974666
"1619879"	271.022366	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Na-2H"	20.974666
"97138"	267.028763	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M-H+Cl"	33.962126
"541077"	392.052613	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M-H+Cl"	33.962126
"932409"	142.004913	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-H+Cl"	33.962126
"274245"	535.064802	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+Cl"	34.969402
"664481"	785.112502	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+Cl"	34.969402
"1285638"	285.017102	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Cl"	34.969402
"26007"	537.044006	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M-2H+K"	36.948606
"466662"	787.091706	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M-2H+K"	36.948606
"842276"	286.996306	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-2H+K"	36.948606
"1570870"	286.996306	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+K-2H"	36.948606
"957782"	295.045894	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-H+HCOOH"	44.998194
"376241"	545.093601	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+HCOOH-H"	44.998201
"359761"	559.109251	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+Hac-H"	59.013851
"1504582"	309.061551	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Hac-H"	59.013851
"964468"	317.027851	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-H+NaCOOH"	66.980151
"119938"	285.017102	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+2Cl"	69.938804
"557311"	410.040952	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+2Cl"	69.938804
"1033766"	159.993252	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2Cl"	69.938804
"1254438"	328.966585	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Br"	78.918885
"1311417"	331.022572	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Cl+HCOOH"	80.974872
"1325632"	353.004529	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Cl+NaCOOH"	102.956829
"915599"	363.033286	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M-H+CF3COOH"	112.985586
"1291577"	399.009964	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Cl+CF3COOH"	148.962264
"1370468"	215.035024	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H-2H2O"	-35.012676
"1385775"	233.045	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H-H2O"	-17.0027
"285092"	501.102676	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+H"	1.007276
"677515"	751.150376	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+H"	1.007276
"1352404"	251.054976	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H"	1.007276
"125787"	251.054976	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+2H"	2.014552
"566677"	376.078826	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+2H"	2.014552
"1038764"	126.031126	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2H"	2.014552
"208486"	167.705742666667	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+3H"	3.021828
"651696"	251.054976	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+3H"	3.021828
"1166540"	84.3565093333333	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+3H"	3.021828
"434195"	518.129223	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+NH4"	18.033823
"797376"	768.176923	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+NH4"	18.033823
"1691522"	268.081523	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+NH4"	18.033823
"336522"	259.5682495	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+H+NH4"	19.041099
"731128"	384.5920995	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+H+NH4"	19.041099
"1486042"	134.5443995	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H+NH4"	19.041099
"401441"	523.084618	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+Na"	22.989218
"763529"	773.132318	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+Na"	22.989218
"1612721"	273.036918	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Na"	22.989218
"319478"	262.045947	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+H+Na"	23.996494
"721741"	387.069797	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+H+Na"	23.996494
"1471187"	137.022097	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H+Na"	23.996494
"1062246"	91.6838233333333	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2H+Na"	25.00377
"1267205"	283.081186	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+CH3OH+H"	33.033486
"382499"	539.058558	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+K"	38.963158
"743494"	789.106258	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+K"	38.963158
"1543360"	289.010858	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+K"	38.963158
"301630"	270.032917	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+H+K"	39.970434
"695145"	395.056767	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+H+K"	39.970434
"1446167"	145.009067	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H+K"	39.970434
"235741"	542.129226	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+ACN+H"	42.033826
"1221226"	292.081526	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+ACN+H"	42.033826
"1208265"	146.544401	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+ACN+2H"	43.041102
"202969"	545.06656	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+2Na-H"	44.97116
"643262"	795.11426	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+2Na-H"	44.97116
"1144700"	295.01886	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2Na-H"	44.97116
"186897"	273.036918	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+2Na"	45.978436
"627188"	398.060768	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+2Na"	45.978436
"1129232"	148.013068	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2Na"	45.978436
"1413362"	99.0111373333333	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H+2Na"	46.985712
"1444140"	297.060446	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H+HCOOH"	47.012746
"227275"	278.06994	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+3H2O+2H"	56.04448
"1517525"	311.11249	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+IsoProp+H"	61.06479
"413564"	281.023888	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+Na+K"	61.952376
"773469"	406.047738	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+Na+K"	61.952376
"1669798"	156.000038	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Na+K"	61.952376
"254859"	564.111168	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+ACN+Na"	64.015768
"1229029"	314.063468	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+ACN+Na"	64.015768
"1715727"	314.086993	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+NH4+HCOOH"	64.039293
"1186553"	106.338451333333	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+3Na"	68.967654
"1658633"	319.042388	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Na+HCOOH"	68.994688
"165860"	577.01444	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+2K-H"	76.91904
"601046"	827.06214	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+2K-H"	76.91904
"1085679"	326.96674	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2K-H"	76.91904
"148936"	289.010858	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"2M+2K"	77.926316
"594698"	414.034708	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"3M+2K"	77.926316
"1082491"	163.987008	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2K"	77.926316
"1106221"	328.981292	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2K+H"	78.933592
"1340419"	329.068907	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+DMSO+H"	79.021207
"1017334"	333.108076	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2ACN+H"	83.060376
"1529262"	334.101708	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+IsoProp+Na+H"	84.054008
"993522"	167.057676	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+2ACN+2H"	84.067652
"1588146"	335.016328	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+K+HCOOH"	84.968628
"1424619"	365.047838	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+H+CF3COOH"	115.000138
"1150534"	187.570951	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+3ACN+2H"	125.094202
"1702275"	382.074385	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+NH4+CF3COOH"	132.026685
"1640113"	387.02978	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+Na+CF3COOH"	136.98208
"1581231"	403.00372	"C07734"	"2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-24-dienoate"	"C12H10O6"	"250.0477"	"M+K+CF3COOH"	152.95602
"801796"	205.9745	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M"	0
"976016"	186.95611	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-H2O-H"	-19.01839
"71189"	136.309057333333	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M-3H"	-3.021828
"508563"	204.967224	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M-3H"	-3.021828
"884177"	67.6508906666667	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-3H"	-3.021828
"4939"	204.967224	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M-2H"	-2.014552
"442311"	307.954474	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M-2H"	-2.014552
"817926"	101.979974	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-2H"	-2.014552
"83387"	410.941724	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M-H"	-1.007276
"520761"	616.916224	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M-H"	-1.007276
"898196"	204.967224	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-H"	-1.007276
"55126"	427.968271	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M-2H+NH4"	16.019271
"490312"	633.942771	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M-2H+NH4"	16.019271
"868114"	221.993771	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-2H+NH4"	16.019271
"39296"	432.923666	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M-2H+Na"	20.974666
"474482"	638.898166	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M-2H+Na"	20.974666
"849732"	226.949166	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-2H+Na"	20.974666
"1618896"	226.949166	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Na-2H"	20.974666
"97248"	222.955563	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M-H+Cl"	33.962126
"540094"	325.942813	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M-H+Cl"	33.962126
"933610"	119.968313	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-H+Cl"	33.962126
"271074"	446.918402	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+Cl"	34.969402
"664951"	652.892902	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+Cl"	34.969402
"1276267"	240.943902	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Cl"	34.969402
"18826"	448.897606	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M-2H+K"	36.948606
"459479"	654.872106	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M-2H+K"	36.948606
"835825"	242.923106	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-2H+K"	36.948606
"1566968"	242.923106	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+K-2H"	36.948606
"953758"	250.972694	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-H+HCOOH"	44.998194
"374161"	456.947201	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+HCOOH-H"	44.998201
"355858"	470.962851	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+Hac-H"	59.013851
"1503596"	264.988351	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Hac-H"	59.013851
"962391"	272.954651	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-H+NaCOOH"	66.980151
"118955"	240.943902	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+2Cl"	69.938804
"557421"	343.931152	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+2Cl"	69.938804
"1034969"	137.956652	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2Cl"	69.938804
"1255641"	284.893385	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Br"	78.918885
"1311527"	286.949372	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Cl+HCOOH"	80.974872
"1324649"	308.931329	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Cl+NaCOOH"	102.956829
"915709"	318.960086	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M-H+CF3COOH"	112.985586
"1291687"	354.936764	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Cl+CF3COOH"	148.962264
"1370578"	170.961824	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H-2H2O"	-35.012676
"1385885"	188.9718	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H-H2O"	-17.0027
"283259"	412.956276	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+H"	1.007276
"676896"	618.930776	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+H"	1.007276
"1351581"	206.981776	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H"	1.007276
"128320"	206.981776	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+2H"	2.014552
"566908"	309.969026	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+2H"	2.014552
"1039966"	103.994526	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2H"	2.014552
"207867"	138.323609333333	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+3H"	3.021828
"652899"	206.981776	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+3H"	3.021828
"1167743"	69.6654426666667	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+3H"	3.021828
"435399"	429.982823	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+NH4"	18.033823
"796393"	635.957323	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+NH4"	18.033823
"1692725"	224.008323	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+NH4"	18.033823
"338816"	215.4950495	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+H+NH4"	19.041099
"732333"	318.4822995	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+H+NH4"	19.041099
"1486152"	112.5077995	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H+NH4"	19.041099
"401552"	434.938218	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+Na"	22.989218
"761453"	640.912718	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+Na"	22.989218
"1611738"	228.963718	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Na"	22.989218
"321775"	217.972747	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+H+Na"	23.996494
"719301"	320.959997	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+H+Na"	23.996494
"1470204"	114.985497	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H+Na"	23.996494
"1061263"	76.9927566666667	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2H+Na"	25.00377
"1262940"	239.007986	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+CH3OH+H"	33.033486
"382609"	450.912158	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+K"	38.963158
"742511"	656.886658	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+K"	38.963158
"1542376"	244.937658	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+K"	38.963158
"300647"	225.959717	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+H+K"	39.970434
"695255"	328.946967	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+H+K"	39.970434
"1449072"	122.972467	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H+K"	39.970434
"235697"	453.982826	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+ACN+H"	42.033826
"1221701"	248.008326	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+ACN+H"	42.033826
"1207890"	124.507801	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+ACN+2H"	43.041102
"202474"	456.92016	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+2Na-H"	44.97116
"642399"	662.89466	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+2Na-H"	44.97116
"1144081"	250.94566	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2Na-H"	44.97116
"185550"	228.963718	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+2Na"	45.978436
"624015"	331.950968	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+2Na"	45.978436
"1126426"	125.976468	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2Na"	45.978436
"1410678"	84.3200706666667	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H+2Na"	46.985712
"1443159"	252.987246	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H+HCOOH"	47.012746
"228478"	233.99674	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+3H2O+2H"	56.04448
"1513263"	267.03929	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+IsoProp+H"	61.06479
"411120"	236.950688	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+Na+K"	61.952376
"775037"	339.937938	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+Na+K"	61.952376
"1668813"	133.963438	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Na+K"	61.952376
"254969"	475.964768	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+ACN+Na"	64.015768
"1227679"	269.990268	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+ACN+Na"	64.015768
"1715472"	270.013793	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+NH4+HCOOH"	64.039293
"1186663"	91.6473846666667	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+3Na"	68.967654
"1652910"	274.969188	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Na+HCOOH"	68.994688
"165970"	488.86804	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+2K-H"	76.91904
"603342"	694.84254	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+2K-H"	76.91904
"1084275"	282.89354	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2K-H"	76.91904
"149046"	244.937658	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"2M+2K"	77.926316
"595901"	347.924908	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"3M+2K"	77.926316
"1082844"	141.950408	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2K"	77.926316
"1109611"	284.908092	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2K+H"	78.933592
"1340529"	284.995707	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+DMSO+H"	79.021207
"1017808"	289.034876	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2ACN+H"	83.060376
"1533745"	290.028508	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+IsoProp+Na+H"	84.054008
"995818"	145.021076	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+2ACN+2H"	84.067652
"1592509"	290.943128	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+K+HCOOH"	84.968628
"1424729"	320.974638	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+H+CF3COOH"	115.000138
"1152831"	165.534351	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+3ACN+2H"	125.094202
"1702385"	338.001185	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+NH4+CF3COOH"	132.026685
"1640223"	342.95658	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+Na+CF3COOH"	136.98208
"1581341"	358.93052	"C07736"	"Etidronic acid;1-Hydroxyethylidene-11-diphosphonic acid;Ethane-1-hydroxy-11-bisphosphonate"	"C2H8O7P2"	"205.9745"	"M+K+CF3COOH"	152.95602
"805146"	437.208	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M"	0
"976490"	418.18961	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-H2O-H"	-19.01839
"71301"	290.464724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M-3H"	-3.021828
"508673"	436.200724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M-3H"	-3.021828
"884288"	144.728724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-3H"	-3.021828
"7236"	436.200724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M-2H"	-2.014552
"447890"	654.804724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M-2H"	-2.014552
"823505"	217.596724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-2H"	-2.014552
"82404"	873.408724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M-H"	-1.007276
"521964"	1310.616724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M-H"	-1.007276
"900858"	436.200724	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-H"	-1.007276
"59611"	890.435271	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M-2H+NH4"	16.019271
"489329"	1327.643271	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M-2H+NH4"	16.019271
"867131"	453.227271	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-2H+NH4"	16.019271
"41595"	895.390666	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M-2H+Na"	20.974666
"478967"	1332.598666	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M-2H+Na"	20.974666
"851301"	458.182666	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-2H+Na"	20.974666
"1620829"	458.182666	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Na-2H"	20.974666
"96630"	454.189063	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M-H+Cl"	33.962126
"537288"	672.793063	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M-H+Cl"	33.962126
"932627"	235.585063	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-H+Cl"	33.962126
"273371"	909.385402	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+Cl"	34.969402
"662875"	1346.593402	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+Cl"	34.969402
"1278199"	472.177402	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Cl"	34.969402
"18935"	911.364606	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M-2H+K"	36.948606
"458133"	1348.572606	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M-2H+K"	36.948606
"834841"	474.156606	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-2H+K"	36.948606
"1556140"	474.156606	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+K-2H"	36.948606
"951680"	482.206194	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-H+HCOOH"	44.998194
"368803"	919.414201	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+HCOOH-H"	44.998201
"352687"	933.429851	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+Hac-H"	59.013851
"1501519"	496.221851	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Hac-H"	59.013851
"962501"	504.188151	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-H+NaCOOH"	66.980151
"124898"	472.177402	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+2Cl"	69.938804
"564092"	690.781402	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+2Cl"	69.938804
"1033986"	253.573402	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2Cl"	69.938804
"1255752"	516.126885	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Br"	78.918885
"1316012"	518.182872	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Cl+HCOOH"	80.974872
"1324759"	540.164829	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Cl+NaCOOH"	102.956829
"918003"	550.193586	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M-H+CF3COOH"	112.985586
"1290336"	586.170264	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Cl+CF3COOH"	148.962264
"1368496"	402.195324	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H-2H2O"	-35.012676
"1384896"	420.2053	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H-H2O"	-17.0027
"284221"	875.423276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+H"	1.007276
"677733"	1312.631276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+H"	1.007276
"1352988"	438.215276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H"	1.007276
"127335"	438.215276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+2H"	2.014552
"566290"	656.819276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+2H"	2.014552
"1037889"	219.611276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2H"	2.014552
"206518"	292.479276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+3H"	3.021828
"655195"	438.215276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+3H"	3.021828
"1167853"	146.743276	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+3H"	3.021828
"436601"	892.449823	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+NH4"	18.033823
"790669"	1329.657823	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+NH4"	18.033823
"1687727"	455.241823	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+NH4"	18.033823
"334912"	446.7285495	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+H+NH4"	19.041099
"732441"	665.3325495	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+H+NH4"	19.041099
"1488449"	228.1245495	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H+NH4"	19.041099
"405672"	897.405218	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+Na"	22.989218
"765938"	1334.613218	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+Na"	22.989218
"1611848"	460.197218	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Na"	22.989218
"321885"	449.206247	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+H+Na"	23.996494
"717588"	667.810247	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+H+Na"	23.996494
"1470314"	230.602247	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H+Na"	23.996494
"1060279"	154.07059	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2H+Na"	25.00377
"1261957"	470.241486	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+CH3OH+H"	33.033486
"381626"	913.379158	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+K"	38.963158
"744808"	1350.587158	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+K"	38.963158
"1544674"	476.171158	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+K"	38.963158
"304037"	457.193217	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+H+K"	39.970434
"695364"	675.797217	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+H+K"	39.970434
"1449183"	238.589217	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H+K"	39.970434
"238154"	916.449826	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+ACN+H"	42.033826
"1224000"	479.241826	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+ACN+H"	42.033826
"1207880"	240.124551	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+ACN+2H"	43.041102
"203060"	919.38716	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+2Na-H"	44.97116
"642141"	1356.59516	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+2Na-H"	44.97116
"1143097"	482.17916	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2Na-H"	44.97116
"182377"	460.197218	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+2Na"	45.978436
"621937"	678.801218	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+2Na"	45.978436
"1128726"	241.593218	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2Na"	45.978436
"1412369"	161.397904	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H+2Na"	46.985712
"1444849"	484.220746	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H+HCOOH"	47.012746
"228588"	465.23024	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+3H2O+2H"	56.04448
"1515559"	498.27279	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+IsoProp+H"	61.06479
"413420"	468.184188	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+Na+K"	61.952376
"774054"	686.788188	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+Na+K"	61.952376
"1670381"	249.580188	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Na+K"	61.952376
"255445"	938.431768	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+ACN+Na"	64.015768
"1227789"	501.223768	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+ACN+Na"	64.015768
"1721782"	501.247293	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+NH4+HCOOH"	64.039293
"1187137"	168.725218	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+3Na"	68.967654
"1655936"	506.202688	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Na+HCOOH"	68.994688
"162800"	951.33504	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+2K-H"	76.91904
"601265"	1388.54304	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+2K-H"	76.91904
"1084594"	514.12704	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2K-H"	76.91904
"148062"	476.171158	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"2M+2K"	77.926316
"596014"	694.775158	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"3M+2K"	77.926316
"1078701"	257.567158	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2K"	77.926316
"1104255"	516.141592	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2K+H"	78.933592
"1336020"	516.229207	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+DMSO+H"	79.021207
"1016823"	520.268376	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2ACN+H"	83.060376
"1532762"	521.262008	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+IsoProp+Na+H"	84.054008
"993741"	260.637826	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+2ACN+2H"	84.067652
"1590432"	522.176628	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+K+HCOOH"	84.968628
"1419371"	552.208138	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+H+CF3COOH"	115.000138
"1150753"	281.151101	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+3ACN+2H"	125.094202
"1702495"	569.234685	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+NH4+CF3COOH"	132.026685
"1640333"	574.19008	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+Na+CF3COOH"	136.98208
"1581451"	590.16402	"C07740"	"Disopyramide phosphate"	"C21H29N3OH3PO4"	"437.208"	"M+K+CF3COOH"	152.95602
"805256"	427.1566	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M"	0
"974775"	408.13821	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-H2O-H"	-19.01839
"74692"	283.763790666667	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M-3H"	-3.021828
"517413"	426.149324	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M-3H"	-3.021828
"893878"	141.378257333333	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-3H"	-3.021828
"11723"	426.149324	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M-2H"	-2.014552
"453469"	639.727624	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M-2H"	-2.014552
"822522"	212.571024	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-2H"	-2.014552
"82514"	853.305924	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M-H"	-1.007276
"523168"	1280.462524	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M-H"	-1.007276
"900239"	426.149324	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-H"	-1.007276
"59721"	870.332471	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M-2H+NH4"	16.019271
"489439"	1297.489071	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M-2H+NH4"	16.019271
"867241"	443.175871	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-2H+NH4"	16.019271
"40611"	875.287866	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M-2H+Na"	20.974666
"475796"	1302.444466	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M-2H+Na"	20.974666
"849136"	448.131266	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-2H+Na"	20.974666
"1619477"	448.131266	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Na-2H"	20.974666
"95646"	444.137663	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M-H+Cl"	33.962126
"537034"	657.715963	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M-H+Cl"	33.962126
"933830"	230.559363	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-H+Cl"	33.962126
"270564"	889.282602	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+Cl"	34.969402
"662013"	1316.439202	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+Cl"	34.969402
"1275751"	462.126002	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Cl"	34.969402
"18681"	891.261806	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M-2H+K"	36.948606
"463712"	1318.418406	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M-2H+K"	36.948606
"833250"	464.105206	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-2H+K"	36.948606
"1556373"	464.105206	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+K-2H"	36.948606
"951790"	472.154794	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-H+HCOOH"	44.998194
"367821"	899.311401	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+HCOOH-H"	44.998201
"354986"	913.327051	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+Hac-H"	59.013851
"1498349"	486.170451	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Hac-H"	59.013851
"964799"	494.136751	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-H+NaCOOH"	66.980151
"125373"	462.126002	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+2Cl"	69.938804
"562015"	675.704302	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+2Cl"	69.938804
"1036771"	248.547702	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2Cl"	69.938804
"1256470"	506.075485	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Br"	78.918885
"1316852"	508.131472	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Cl+HCOOH"	80.974872
"1324869"	530.113429	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Cl+NaCOOH"	102.956829
"915927"	540.142186	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M-H+CF3COOH"	112.985586
"1289353"	576.118864	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Cl+CF3COOH"	148.962264
"1367876"	392.143924	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H-2H2O"	-35.012676
"1383669"	410.1539	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H-H2O"	-17.0027
"283960"	855.320476	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+H"	1.007276
"676387"	1282.477076	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+H"	1.007276
"1352733"	428.163876	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H"	1.007276
"126717"	428.163876	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+2H"	2.014552
"566276"	641.742176	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+2H"	2.014552
"1039092"	214.585576	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2H"	2.014552
"206264"	285.778342666667	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+3H"	3.021828
"654212"	428.163876	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+3H"	3.021828
"1167963"	143.392809333333	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+3H"	3.021828
"434525"	872.347023	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+NH4"	18.033823
"790050"	1299.503623	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+NH4"	18.033823
"1688565"	445.190423	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+NH4"	18.033823
"335751"	436.6771495	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+H+NH4"	19.041099
"728539"	650.2554495	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+H+NH4"	19.041099
"1484184"	223.0988495	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H+NH4"	19.041099
"402864"	877.302418	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+Na"	22.989218
"766048"	1304.459018	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+Na"	22.989218
"1609771"	450.145818	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Na"	22.989218
"320900"	439.154847	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+H+Na"	23.996494
"715510"	652.733147	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+H+Na"	23.996494
"1470425"	225.576547	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H+Na"	23.996494
"1058202"	150.720123333333	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2H+Na"	25.00377
"1263160"	460.190086	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+CH3OH+H"	33.033486
"379547"	893.276358	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+K"	38.963158
"740906"	1320.432958	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+K"	38.963158
"1544053"	466.119758	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+K"	38.963158
"304144"	447.141817	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+H+K"	39.970434
"695472"	660.720117	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+H+K"	39.970434
"1449292"	233.563517	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H+K"	39.970434
"236799"	896.347026	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+ACN+H"	42.033826
"1224714"	469.190426	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+ACN+H"	42.033826
"1209085"	235.098851	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+ACN+2H"	43.041102
"203049"	899.28436	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+2Na-H"	44.97116
"642614"	1326.44096	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+2Na-H"	44.97116
"1140289"	472.12776	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2Na-H"	44.97116
"179206"	450.145818	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+2Na"	45.978436
"620953"	663.724118	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+2Na"	45.978436
"1125553"	236.567518	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2Na"	45.978436
"1412721"	158.047437333333	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H+2Na"	46.985712
"1444229"	474.169346	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H+HCOOH"	47.012746
"229792"	455.17884	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+3H2O+2H"	56.04448
"1515669"	488.22139	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+IsoProp+H"	61.06479
"414261"	458.132788	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+Na+K"	61.952376
"774159"	671.711088	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+Na+K"	61.952376
"1671583"	244.554488	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Na+K"	61.952376
"255549"	918.328968	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+ACN+Na"	64.015768
"1226436"	491.172368	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+ACN+Na"	64.015768
"1713501"	491.195893	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+NH4+HCOOH"	64.039293
"1178685"	165.374751333333	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+3Na"	68.967654
"1654953"	496.151288	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Na+HCOOH"	68.994688
"166190"	931.23224	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+2K-H"	76.91904
"600282"	1358.38884	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+2K-H"	76.91904
"1084258"	504.07564	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2K-H"	76.91904
"145986"	466.119758	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"2M+2K"	77.926316
"596366"	679.698058	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"3M+2K"	77.926316
"1078811"	252.541458	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2K"	77.926316
"1107646"	506.090192	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2K+H"	78.933592
"1337469"	506.177807	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+DMSO+H"	79.021207
"1013653"	510.216976	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2ACN+H"	83.060376
"1533966"	511.210608	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+IsoProp+Na+H"	84.054008
"993851"	255.612126	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+2ACN+2H"	84.067652
"1593822"	512.125228	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+K+HCOOH"	84.968628
"1418388"	542.156738	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+H+CF3COOH"	115.000138
"1150133"	276.125401	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+3ACN+2H"	125.094202
"1702605"	559.183285	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+NH4+CF3COOH"	132.026685
"1640443"	564.13868	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+Na+CF3COOH"	136.98208
"1581561"	580.11262	"C07743"	"Moricizine"	"C22H25N3O4S"	"427.1566"	"M+K+CF3COOH"	152.95602
"802086"	325.2406	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M"	0
"975616"	306.22221	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-H2O-H"	-19.01839
"75895"	215.819790666667	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M-3H"	-3.021828
"514362"	324.233324	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M-3H"	-3.021828
"888884"	107.406257333333	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-3H"	-3.021828
"6366"	324.233324	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M-2H"	-2.014552
"450298"	486.853624	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M-2H"	-2.014552
"820444"	161.613024	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-2H"	-2.014552
"91006"	649.473924	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M-H"	-1.007276
"524371"	974.714524	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M-H"	-1.007276
"903266"	324.233324	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-H"	-1.007276
"59831"	666.500471	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M-2H+NH4"	16.019271
"490642"	991.741071	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M-2H+NH4"	16.019271
"867351"	341.259871	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-2H+NH4"	16.019271
"37440"	671.455866	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M-2H+Na"	20.974666
"475906"	996.696466	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M-2H+Na"	20.974666
"849208"	346.215266	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-2H+Na"	20.974666
"1619710"	346.215266	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Na-2H"	20.974666
"96486"	342.221663	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M-H+Cl"	33.962126
"536050"	504.841963	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M-H+Cl"	33.962126
"932847"	179.601363	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-H+Cl"	33.962126
"270310"	685.450602	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+Cl"	34.969402
"663824"	1010.691202	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+Cl"	34.969402
"1275136"	360.210002	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Cl"	34.969402
"18790"	687.429806	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M-2H+K"	36.948606
"460541"	1012.670406	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M-2H+K"	36.948606
"834696"	362.189206	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-2H+K"	36.948606
"1556847"	362.189206	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+K-2H"	36.948606
"951900"	370.238794	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-H+HCOOH"	44.998194
"367931"	695.479401	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+HCOOH-H"	44.998201
"354002"	709.495051	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+Hac-H"	59.013851
"1497366"	384.254451	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Hac-H"	59.013851
"971471"	392.220751	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-H+NaCOOH"	66.980151
"124879"	360.210002	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+2Cl"	69.938804
"562125"	522.830302	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+2Cl"	69.938804
"1036762"	197.589702	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2Cl"	69.938804
"1256096"	404.159485	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Br"	78.918885
"1317326"	406.215472	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Cl+HCOOH"	80.974872
"1324979"	428.197429	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Cl+NaCOOH"	102.956829
"916037"	438.226186	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M-H+CF3COOH"	112.985586
"1289339"	474.202864	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Cl+CF3COOH"	148.962264
"1368105"	290.227924	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H-2H2O"	-35.012676
"1383658"	308.2379	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H-H2O"	-17.0027
"283831"	651.488476	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+H"	1.007276
"676498"	976.729076	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+H"	1.007276
"1352479"	326.247876	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H"	1.007276
"126706"	326.247876	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+2H"	2.014552
"566995"	488.868176	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+2H"	2.014552
"1038109"	163.627576	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2H"	2.014552
"206738"	217.834342666667	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+3H"	3.021828
"653229"	326.247876	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+3H"	3.021828
"1170260"	109.420809333333	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+3H"	3.021828
"433542"	668.515023	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+NH4"	18.033823
"793443"	993.755623	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+NH4"	18.033823
"1686855"	343.274423	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+NH4"	18.033823
"336227"	334.7611495	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+H+NH4"	19.041099
"729380"	497.3814495	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+H+NH4"	19.041099
"1481013"	172.1408495	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H+NH4"	19.041099
"396412"	673.470418	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+Na"	22.989218
"755093"	998.711018	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+Na"	22.989218
"1606600"	348.229818	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Na"	22.989218
"316027"	337.238847	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+H+Na"	23.996494
"709419"	499.859147	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+H+Na"	23.996494
"1466156"	174.618547	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H+Na"	23.996494
"1057583"	116.748123333333	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2H+Na"	25.00377
"1257557"	358.274086	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+CH3OH+H"	33.033486
"377466"	689.444358	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+K"	38.963158
"738866"	1014.684958	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+K"	38.963158
"1541608"	364.203758	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+K"	38.963158
"300970"	345.225817	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+H+K"	39.970434
"693392"	507.846117	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+H+K"	39.970434
"1446847"	182.605517	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H+K"	39.970434
"237269"	692.515026	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+ACN+H"	42.033826
"1210025"	367.274426	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+ACN+H"	42.033826
"1208588"	184.140851	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+ACN+2H"	43.041102
"203409"	695.45236	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+2Na-H"	44.97116
"643535"	1020.69296	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+2Na-H"	44.97116
"1146113"	370.21176	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2Na-H"	44.97116
"180409"	348.229818	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+2Na"	45.978436
"618875"	510.850118	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+2Na"	45.978436
"1124569"	185.609518	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2Na"	45.978436
"1412101"	124.075437333333	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H+2Na"	46.985712
"1443852"	372.253346	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H+HCOOH"	47.012746
"230996"	353.26284	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+3H2O+2H"	56.04448
"1519055"	386.30539	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+IsoProp+H"	61.06479
"420928"	356.216788	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+Na+K"	61.952376
"776457"	518.837088	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+Na+K"	61.952376
"1671327"	193.596488	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Na+K"	61.952376
"255659"	714.496968	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+ACN+Na"	64.015768
"1228733"	389.256368	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+ACN+Na"	64.015768
"1713611"	389.279893	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+NH4+HCOOH"	64.039293
"1178959"	131.402751333333	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+3Na"	68.967654
"1658343"	394.235288	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Na+HCOOH"	68.994688
"166300"	727.40024	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+2K-H"	76.91904
"603672"	1052.64084	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+2K-H"	76.91904
"1084732"	402.15964	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2K-H"	76.91904
"146096"	364.203758	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"2M+2K"	77.926316
"584565"	526.824058	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"3M+2K"	77.926316
"1072358"	201.583458	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2K"	77.926316
"1108848"	404.174192	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2K+H"	78.933592
"1336970"	404.261807	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+DMSO+H"	79.021207
"1012670"	408.300976	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2ACN+H"	83.060376
"1531889"	409.294608	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+IsoProp+Na+H"	84.054008
"990435"	204.654126	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+2ACN+2H"	84.067652
"1592839"	410.209228	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+K+HCOOH"	84.968628
"1416675"	440.240738	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+H+CF3COOH"	115.000138
"1150244"	225.167401	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+3ACN+2H"	125.094202
"1702715"	457.267285	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+NH4+CF3COOH"	132.026685
"1640553"	462.22268	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+Na+CF3COOH"	136.98208
"1581671"	478.19662	"C07750"	"Tolterodine"	"C22H31NO"	"325.2406"	"M+K+CF3COOH"	152.95602
"804382"	441.1392	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M"	0
"977184"	422.12081	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-H2O-H"	-19.01839
"76005"	293.085524	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M-3H"	-3.021828
"512285"	440.131924	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M-3H"	-3.021828
"888994"	146.039124	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-3H"	-3.021828
"7569"	440.131924	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M-2H"	-2.014552
"451501"	660.701524	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M-2H"	-2.014552
"820916"	219.562324	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-2H"	-2.014552
"88200"	881.271124	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M-H"	-1.007276
"524481"	1322.410324	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M-H"	-1.007276
"903376"	440.131924	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-H"	-1.007276
"58848"	898.297671	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M-2H+NH4"	16.019271
"491846"	1339.436871	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M-2H+NH4"	16.019271
"869648"	457.158471	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-2H+NH4"	16.019271
"35363"	903.253066	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M-2H+Na"	20.974666
"478203"	1344.392266	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M-2H+Na"	20.974666
"850655"	462.113866	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-2H+Na"	20.974666
"1620795"	462.113866	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Na-2H"	20.974666
"95867"	458.120263	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M-H+Cl"	33.962126
"536281"	678.689863	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M-H+Cl"	33.962126
"927849"	237.550663	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-H+Cl"	33.962126
"270778"	917.247802	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+Cl"	34.969402
"661747"	1358.387002	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+Cl"	34.969402
"1274150"	476.108602	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Cl"	34.969402
"17805"	919.227006	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M-2H+K"	36.948606
"459552"	1360.366206	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M-2H+K"	36.948606
"836628"	478.087806	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-2H+K"	36.948606
"1557321"	478.087806	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+K-2H"	36.948606
"949823"	486.137394	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-H+HCOOH"	44.998194
"366947"	927.276601	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+HCOOH-H"	44.998201
"354111"	941.292251	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+Hac-H"	59.013851
"1498569"	500.153051	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Hac-H"	59.013851
"966112"	508.119351	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-H+NaCOOH"	66.980151
"124862"	476.108602	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+2Cl"	69.938804
"561141"	696.678202	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+2Cl"	69.938804
"1036503"	255.539002	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2Cl"	69.938804
"1256771"	520.058085	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Br"	78.918885
"1316342"	522.114072	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Cl+HCOOH"	80.974872
"1327277"	544.096029	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Cl+NaCOOH"	102.956829
"913960"	554.124786	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M-H+CF3COOH"	112.985586
"1289938"	590.101464	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Cl+CF3COOH"	148.962264
"1368828"	406.126524	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H-2H2O"	-35.012676
"1383892"	424.1365	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H-H2O"	-17.0027
"283457"	883.285676	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+H"	1.007276
"676730"	1324.424876	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+H"	1.007276
"1351740"	442.146476	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H"	1.007276
"125966"	442.146476	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+2H"	2.014552
"566866"	662.716076	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+2H"	2.014552
"1038948"	221.576876	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2H"	2.014552
"206848"	295.100076	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+3H"	3.021828
"648965"	442.146476	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+3H"	3.021828
"1168183"	148.053676	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+3H"	3.021828
"433648"	900.312223	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+NH4"	18.033823
"793553"	1341.451423	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+NH4"	18.033823
"1688059"	459.173023	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+NH4"	18.033823
"334879"	450.6597495	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+H+NH4"	19.041099
"729490"	671.2293495	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+H+NH4"	19.041099
"1483311"	230.0901495	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H+NH4"	19.041099
"398710"	905.267618	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+Na"	22.989218
"758611"	1346.406818	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+Na"	22.989218
"1608898"	464.128418	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Na"	22.989218
"315408"	453.137447	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+H+Na"	23.996494
"709168"	673.707047	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+H+Na"	23.996494
"1464080"	232.567847	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H+Na"	23.996494
"1058422"	155.38099	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2H+Na"	25.00377
"1259006"	474.172686	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+CH3OH+H"	33.033486
"378667"	921.241558	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+K"	38.963158
"738692"	1362.380758	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+K"	38.963158
"1540627"	480.102358	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+K"	38.963158
"299052"	461.124417	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+H+K"	39.970434
"691635"	681.694017	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+H+K"	39.970434
"1446596"	240.554817	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H+K"	39.970434
"236655"	924.312226	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+ACN+H"	42.033826
"1210824"	483.173026	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+ACN+H"	42.033826
"1209799"	242.090151	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+ACN+2H"	43.041102
"204011"	927.24956	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+2Na-H"	44.97116
"643196"	1368.38876	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+2Na-H"	44.97116
"1146870"	486.11036	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2Na-H"	44.97116
"188500"	464.128418	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+2Na"	45.978436
"628138"	684.698018	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+2Na"	45.978436
"1123584"	243.558818	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2Na"	45.978436
"1407108"	162.708304	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H+2Na"	46.985712
"1437038"	488.151946	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H+HCOOH"	47.012746
"232199"	469.16144	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+3H2O+2H"	56.04448
"1519167"	502.20399	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+IsoProp+H"	61.06479
"421039"	472.115388	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+Na+K"	61.952376
"775838"	692.684988	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+Na+K"	61.952376
"1672167"	251.545788	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Na+K"	61.952376
"260508"	946.294168	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+ACN+Na"	64.015768
"1231032"	505.154968	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+ACN+Na"	64.015768
"1719920"	505.178493	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+NH4+HCOOH"	64.039293
"1179674"	170.035618	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+3Na"	68.967654
"1658453"	510.133888	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Na+HCOOH"	68.994688
"170419"	959.19744	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+2K-H"	76.91904
"600502"	1400.33664	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+2K-H"	76.91904
"1084721"	518.05824	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2K-H"	76.91904
"148392"	480.102358	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"2M+2K"	77.926316
"585038"	700.671958	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"3M+2K"	77.926316
"1072468"	259.532758	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2K"	77.926316
"1106771"	520.072792	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2K+H"	78.933592
"1338173"	520.160407	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+DMSO+H"	79.021207
"1014966"	524.199576	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2ACN+H"	83.060376
"1528719"	525.193208	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+IsoProp+Na+H"	84.054008
"992368"	262.603426	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+2ACN+2H"	84.067652
"1591855"	526.107828	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+K+HCOOH"	84.968628
"1416420"	556.139338	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+H+CF3COOH"	115.000138
"1149260"	283.116701	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+3ACN+2H"	125.094202
"1702825"	573.165885	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+NH4+CF3COOH"	132.026685
"1640663"	578.12128	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+Na+CF3COOH"	136.98208
"1581781"	594.09522	"C07751"	"Dofetilide"	"C19H27N3O5S2"	"441.1392"	"M+K+CF3COOH"	152.95602
"802306"	249.0167	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M"	0
"975838"	229.99831	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-H2O-H"	-19.01839
"76115"	165.003857333333	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M-3H"	-3.021828
"515676"	248.009424	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M-3H"	-3.021828
"891291"	81.9982906666667	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-3H"	-3.021828
"9867"	248.009424	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M-2H"	-2.014552
"450519"	372.517774	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M-2H"	-2.014552
"821757"	123.501074	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-2H"	-2.014552
"88310"	497.026124	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M-H"	-1.007276
"523497"	746.042824	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M-H"	-1.007276
"904579"	248.009424	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-H"	-1.007276
"56771"	514.052671	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M-2H+NH4"	16.019271
"490862"	763.069371	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M-2H+NH4"	16.019271
"867571"	265.035971	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-2H+NH4"	16.019271
"34380"	519.008066	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M-2H+Na"	20.974666
"476126"	768.024766	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M-2H+Na"	20.974666
"848944"	269.991366	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-2H+Na"	20.974666
"1619083"	269.991366	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Na-2H"	20.974666
"95615"	265.997763	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M-H+Cl"	33.962126
"535177"	390.506113	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M-H+Cl"	33.962126
"927270"	141.489413	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-H+Cl"	33.962126
"269069"	533.002802	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+Cl"	34.969402
"661856"	782.019502	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+Cl"	34.969402
"1276450"	283.986102	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Cl"	34.969402
"16821"	534.982006	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M-2H+K"	36.948606
"458569"	783.998706	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M-2H+K"	36.948606
"835281"	285.965306	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-2H+K"	36.948606
"1557431"	285.965306	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+K-2H"	36.948606
"946653"	294.014894	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-H+HCOOH"	44.998194
"367057"	543.031601	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+HCOOH-H"	44.998201
"350940"	557.047251	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+Hac-H"	59.013851
"1498679"	308.030551	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Hac-H"	59.013851
"958605"	315.996851	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-H+NaCOOH"	66.980151
"122785"	283.986102	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+2Cl"	69.938804
"561251"	408.494452	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+2Cl"	69.938804
"1036249"	159.477752	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2Cl"	69.938804
"1256191"	327.935585	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Br"	78.918885
"1310984"	329.991572	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Cl+HCOOH"	80.974872
"1327387"	351.973529	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Cl+NaCOOH"	102.956829
"913706"	362.002286	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M-H+CF3COOH"	112.985586
"1290412"	397.978964	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Cl+CF3COOH"	148.962264
"1368934"	214.004024	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H-2H2O"	-35.012676
"1383759"	232.014	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H-H2O"	-17.0027
"283322"	499.040676	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+H"	1.007276
"676108"	748.057376	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+H"	1.007276
"1352333"	250.023976	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H"	1.007276
"125726"	250.023976	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+2H"	2.014552
"565874"	374.532326	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+2H"	2.014552
"1038075"	125.515626	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2H"	2.014552
"205135"	167.018409333333	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+3H"	3.021828
"647982"	250.023976	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+3H"	3.021828
"1168293"	84.0128426666667	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+3H"	3.021828
"431571"	516.067223	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+NH4"	18.033823
"793663"	765.083923	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+NH4"	18.033823
"1688898"	267.050523	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+NH4"	18.033823
"334989"	258.5372495	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+H+NH4"	19.041099
"730693"	383.0455995	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+H+NH4"	19.041099
"1483421"	134.0288995	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H+NH4"	19.041099
"399914"	521.022618	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+Na"	22.989218
"760908"	770.039318	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+Na"	22.989218
"1609008"	272.005918	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Na"	22.989218
"316856"	261.014947	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+H+Na"	23.996494
"710371"	385.523297	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+H+Na"	23.996494
"1465284"	136.506597	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H+Na"	23.996494
"1060719"	91.3401566666667	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2H+Na"	25.00377
"1259480"	282.050186	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+CH3OH+H"	33.033486
"377146"	536.996558	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+K"	38.963158
"738922"	786.013258	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+K"	38.963158
"1542196"	287.979858	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+K"	38.963158
"299005"	269.001917	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+H+K"	39.970434
"691790"	393.510267	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+H+K"	39.970434
"1445967"	144.493567	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H+K"	39.970434
"235826"	540.067226	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+ACN+H"	42.033826
"1210234"	291.050526	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+ACN+H"	42.033826
"1209412"	146.028901	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+ACN+2H"	43.041102
"204070"	543.00456	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+2Na-H"	44.97116
"641483"	792.02126	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+2Na-H"	44.97116
"1144868"	293.98786	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2Na-H"	44.97116
"188444"	272.005918	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+2Na"	45.978436
"628045"	396.514268	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+2Na"	45.978436
"1129888"	147.497568	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2Na"	45.978436
"1414105"	98.6674706666667	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H+2Na"	46.985712
"1445498"	296.029446	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H+HCOOH"	47.012746
"231216"	277.03894	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+3H2O+2H"	56.04448
"1520369"	310.08149	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+IsoProp+H"	61.06479
"420056"	279.992888	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+Na+K"	61.952376
"775584"	404.501238	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+Na+K"	61.952376
"1671913"	155.484538	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Na+K"	61.952376
"257339"	562.049168	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+ACN+Na"	64.015768
"1230049"	313.032468	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+ACN+Na"	64.015768
"1721123"	313.055993	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+NH4+HCOOH"	64.039293
"1178814"	105.994784666667	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+3Na"	68.967654
"1657470"	318.011388	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Na+HCOOH"	68.994688
"168707"	574.95244	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+2K-H"	76.91904
"600612"	823.96914	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+2K-H"	76.91904
"1084425"	325.93574	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2K-H"	76.91904
"148502"	287.979858	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"2M+2K"	77.926316
"586970"	412.488208	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"3M+2K"	77.926316
"1072578"	163.471508	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2K"	77.926316
"1103598"	327.950292	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2K+H"	78.933592
"1336700"	328.037907	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+DMSO+H"	79.021207
"1010702"	332.077076	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2ACN+H"	83.060376
"1526640"	333.070708	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+IsoProp+Na+H"	84.054008
"991628"	166.542176	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+2ACN+2H"	84.067652
"1588682"	333.985328	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+K+HCOOH"	84.968628
"1417622"	364.016838	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+H+CF3COOH"	115.000138
"1149005"	187.055451	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+3ACN+2H"	125.094202
"1702935"	381.043385	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+NH4+CF3COOH"	132.026685
"1640773"	385.99878	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+Na+CF3COOH"	136.98208
"1575330"	401.97272	"C07752"	"Alendronic acid;Alendronate;(4-Amino-1-hydroxybutylidene)bisphosphonic acid"	"C4H13NO7P2"	"249.0167"	"M+K+CF3COOH"	152.95602
"803509"	384.2447	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M"	0
"979228"	365.22631	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-H2O-H"	-19.01839
"74038"	255.155857333333	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M-3H"	-3.021828
"513599"	383.237424	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M-3H"	-3.021828
"890308"	127.074290666667	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-3H"	-3.021828
"9977"	383.237424	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M-2H"	-2.014552
"451722"	575.359774	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M-2H"	-2.014552
"822961"	191.115074	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-2H"	-2.014552
"91700"	767.482124	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M-H"	-1.007276
"527982"	1151.726824	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M-H"	-1.007276
"905783"	383.237424	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-H"	-1.007276
"59919"	784.508671	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M-2H+NH4"	16.019271
"493159"	1168.753371	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M-2H+NH4"	16.019271
"869138"	400.263971	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-2H+NH4"	16.019271
"38862"	789.464066	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M-2H+Na"	20.974666
"478422"	1173.708766	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M-2H+Na"	20.974666
"853670"	405.219366	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-2H+Na"	20.974666
"1624660"	405.219366	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Na-2H"	20.974666
"101552"	401.225763	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M-H+Cl"	33.962126
"538928"	593.348113	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M-H+Cl"	33.962126
"933174"	209.103413	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-H+Cl"	33.962126
"274278"	803.458802	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+Cl"	34.969402
"665244"	1187.703502	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+Cl"	34.969402
"1275102"	419.214102	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Cl"	34.969402
"18024"	805.438006	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M-2H+K"	36.948606
"457950"	1189.682706	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M-2H+K"	36.948606
"836484"	421.193306	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-2H+K"	36.948606
"1557056"	421.193306	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+K-2H"	36.948606
"950043"	429.242894	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-H+HCOOH"	44.998194
"363887"	813.487601	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+HCOOH-H"	44.998201
"352143"	827.503251	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+Hac-H"	59.013851
"1498789"	443.258551	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Hac-H"	59.013851
"959403"	451.224851	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-H+NaCOOH"	66.980151
"122895"	419.214102	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+2Cl"	69.938804
"563548"	611.336452	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+2Cl"	69.938804
"1036238"	227.091752	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2Cl"	69.938804
"1254844"	463.163585	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Br"	78.918885
"1315469"	465.219572	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Cl+HCOOH"	80.974872
"1326404"	487.201529	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Cl+NaCOOH"	102.956829
"916368"	497.230286	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M-H+CF3COOH"	112.985586
"1291616"	533.206964	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Cl+CF3COOH"	148.962264
"1368923"	349.232024	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H-2H2O"	-35.012676
"1384720"	367.242	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H-H2O"	-17.0027
"284162"	769.496676	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+H"	1.007276
"677555"	1153.741376	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+H"	1.007276
"1353175"	385.251976	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H"	1.007276
"128250"	385.251976	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+2H"	2.014552
"568906"	577.374326	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+2H"	2.014552
"1039163"	193.129626	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2H"	2.014552
"205974"	257.170409333333	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+3H"	3.021828
"647360"	385.251976	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+3H"	3.021828
"1164389"	129.088842666667	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+3H"	3.021828
"438245"	786.523223	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+NH4"	18.033823
"792677"	1170.767923	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+NH4"	18.033823
"1689009"	402.278523	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+NH4"	18.033823
"338380"	393.7652495	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+H+NH4"	19.041099
"737365"	585.8875995	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+H+NH4"	19.041099
"1490092"	201.6428995	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H+NH4"	19.041099
"405127"	791.478618	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+Na"	22.989218
"764299"	1175.723318	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+Na"	22.989218
"1615679"	407.233918	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Na"	22.989218
"321339"	396.242947	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+H+Na"	23.996494
"712669"	588.365297	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+H+Na"	23.996494
"1468675"	204.120597	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H+Na"	23.996494
"1065205"	136.416156666667	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2H+Na"	25.00377
"1264694"	417.278186	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+CH3OH+H"	33.033486
"381081"	807.452558	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+K"	38.963158
"742077"	1191.697258	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+K"	38.963158
"1548501"	423.207858	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+K"	38.963158
"305679"	404.229917	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+H+K"	39.970434
"700286"	596.352267	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+H+K"	39.970434
"1446940"	212.107567	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H+K"	39.970434
"236023"	810.523226	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+ACN+H"	42.033826
"1210678"	426.278526	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+ACN+H"	42.033826
"1208921"	213.642901	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+ACN+2H"	43.041102
"203370"	813.46056	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+2Na-H"	44.97116
"640501"	1197.70526	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+2Na-H"	44.97116
"1144735"	429.21586	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2Na-H"	44.97116
"186568"	407.233918	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+2Na"	45.978436
"627589"	599.356268	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+2Na"	45.978436
"1128908"	215.111568	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2Na"	45.978436
"1409882"	143.743470666667	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H+2Na"	46.985712
"1440904"	431.257446	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H+HCOOH"	47.012746
"231328"	412.26694	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+3H2O+2H"	56.04448
"1519753"	445.30949	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+IsoProp+H"	61.06479
"420532"	415.220888	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+Na+K"	61.952376
"776787"	607.343238	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+Na+K"	61.952376
"1672023"	223.098538	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Na+K"	61.952376
"254167"	832.505168	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+ACN+Na"	64.015768
"1235263"	448.260468	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+ACN+Na"	64.015768
"1720870"	448.283993	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+NH4+HCOOH"	64.039293
"1183305"	151.070784666667	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+3Na"	68.967654
"1658672"	453.239388	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Na+HCOOH"	68.994688
"164442"	845.40844	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+2K-H"	76.91904
"598535"	1229.65314	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+2K-H"	76.91904
"1085109"	461.16374	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2K-H"	76.91904
"145332"	423.207858	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"2M+2K"	77.926316
"585987"	615.330208	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"3M+2K"	77.926316
"1069527"	231.085508	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2K"	77.926316
"1100423"	463.178292	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2K+H"	78.933592
"1337054"	463.265907	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+DMSO+H"	79.021207
"1008626"	467.305076	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2ACN+H"	83.060376
"1526385"	468.298708	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+IsoProp+Na+H"	84.054008
"991371"	234.156176	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+2ACN+2H"	84.067652
"1588792"	469.213328	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+K+HCOOH"	84.968628
"1415301"	499.244838	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+H+CF3COOH"	115.000138
"1147533"	254.669451	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+3ACN+2H"	125.094202
"1697941"	516.271385	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+NH4+CF3COOH"	132.026685
"1640883"	521.22678	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+Na+CF3COOH"	136.98208
"1575440"	537.20072	"C07753"	"Ibutilide"	"C20H36N2O3S"	"384.2447"	"M+K+CF3COOH"	152.95602
"812367"	93.9227	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M"	0
"982619"	74.90431	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-H2O-H"	-19.01839
"77065"	61.6078573333333	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M-3H"	-3.021828
"513709"	92.915424	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M-3H"	-3.021828
"890418"	30.3002906666667	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-3H"	-3.021828
"10087"	92.915424	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M-2H"	-2.014552
"452926"	139.876774	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M-2H"	-2.014552
"826351"	45.954074	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-2H"	-2.014552
"91811"	186.838124	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M-H"	-1.007276
"529185"	280.760824	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M-H"	-1.007276
"909785"	92.915424	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-H"	-1.007276
"56991"	203.864671	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M-2H+NH4"	16.019271
"494363"	297.787371	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M-2H+NH4"	16.019271
"871069"	109.941971	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-2H+NH4"	16.019271
"38972"	208.820066	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M-2H+Na"	20.974666
"477438"	302.742766	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M-2H+Na"	20.974666
"855238"	114.897366	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-2H+Na"	20.974666
"1624771"	114.897366	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Na-2H"	20.974666
"99115"	110.903763	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M-H+Cl"	33.962126
"538678"	157.865113	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M-H+Cl"	33.962126
"930006"	63.942413	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-H+Cl"	33.962126
"272569"	222.814802	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+Cl"	34.969402
"662442"	316.737502	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+Cl"	34.969402
"1274484"	128.892102	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Cl"	34.969402
"16678"	224.794006	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M-2H+K"	36.948606
"456072"	318.716706	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M-2H+K"	36.948606
"835501"	130.871306	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-2H+K"	36.948606
"1556558"	130.871306	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+K-2H"	36.948606
"950153"	138.920894	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-H+HCOOH"	44.998194
"369464"	232.843601	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+HCOOH-H"	44.998201
"352253"	246.859251	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+Hac-H"	59.013851
"1497806"	152.936551	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Hac-H"	59.013851
"959392"	160.902851	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-H+NaCOOH"	66.980151
"122278"	128.892102	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+2Cl"	69.938804
"562565"	175.853452	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+2Cl"	69.938804
"1035984"	81.930752	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2Cl"	69.938804
"1255320"	172.841585	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Br"	78.918885
"1314486"	174.897572	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Cl+HCOOH"	80.974872
"1329794"	196.879529	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Cl+NaCOOH"	102.956829
"916478"	206.908286	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M-H+CF3COOH"	112.985586
"1294278"	242.884964	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Cl+CF3COOH"	148.962264
"1369518"	58.910024	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H-2H2O"	-35.012676
"1384829"	76.92	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H-H2O"	-17.0027
"285245"	188.852676	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+H"	1.007276
"678760"	282.775376	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+H"	1.007276
"1353650"	94.929976	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H"	1.007276
"128361"	94.929976	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+2H"	2.014552
"568652"	141.891326	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+2H"	2.014552
"1038909"	47.968626	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2H"	2.014552
"206083"	63.6224093333333	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+3H"	3.021828
"646370"	94.929976	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+3H"	3.021828
"1164132"	32.3148426666667	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+3H"	3.021828
"435073"	205.879223	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+NH4"	18.033823
"791695"	299.801923	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+NH4"	18.033823
"1686931"	111.956523	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+NH4"	18.033823
"337397"	103.4432495	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+H+NH4"	19.041099
"737110"	150.4045995	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+H+NH4"	19.041099
"1482544"	56.4818995	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H+NH4"	19.041099
"404508"	210.834618	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+Na"	22.989218
"763316"	304.757318	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+Na"	22.989218
"1611415"	116.911918	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Na"	22.989218
"320355"	105.920947	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+H+Na"	23.996494
"711686"	152.882297	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+H+Na"	23.996494
"1466599"	58.959597	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H+Na"	23.996494
"1065319"	39.6421566666667	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2H+Na"	25.00377
"1262618"	126.956186	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+CH3OH+H"	33.033486
"380098"	226.808558	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+K"	38.963158
"741094"	320.731258	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+K"	38.963158
"1545334"	132.885858	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+K"	38.963158
"304696"	113.907917	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+H+K"	39.970434
"701490"	160.869267	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+H+K"	39.970434
"1446563"	66.946567	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H+K"	39.970434
"236987"	229.879226	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+ACN+H"	42.033826
"1211884"	135.956526	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+ACN+H"	42.033826
"1209161"	68.481901	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+ACN+2H"	43.041102
"202868"	232.81656	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+2Na-H"	44.97116
"642314"	326.73926	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+2Na-H"	44.97116
"1145579"	138.89386	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2Na-H"	44.97116
"186321"	116.911918	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+2Na"	45.978436
"627336"	163.873268	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+2Na"	45.978436
"1129385"	69.950568	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2Na"	45.978436
"1410722"	46.9694706666667	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H+2Na"	46.985712
"1441014"	140.935446	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H+HCOOH"	47.012746
"232531"	121.94494	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+3H2O+2H"	56.04448
"1519863"	154.98749	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+IsoProp+H"	61.06479
"421372"	124.898888	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+Na+K"	61.952376
"779450"	171.860238	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+Na+K"	61.952376
"1673226"	77.937538	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Na+K"	61.952376
"255006"	251.861168	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+ACN+Na"	64.015768
"1235739"	157.938468	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+ACN+Na"	64.015768
"1720615"	157.961993	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+NH4+HCOOH"	64.039293
"1179768"	54.2967846666667	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+3Na"	68.967654
"1657689"	162.917388	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Na+HCOOH"	68.994688
"166739"	264.76444	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+2K-H"	76.91904
"603748"	358.68714	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+2K-H"	76.91904
"1085344"	170.84174	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2K-H"	76.91904
"145442"	132.885858	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"2M+2K"	77.926316
"586097"	179.847208	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"3M+2K"	77.926316
"1070609"	85.924508	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2K"	77.926316
"1100286"	172.856292	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2K+H"	78.933592
"1336798"	172.943907	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+DMSO+H"	79.021207
"1007642"	176.983076	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2ACN+H"	83.060376
"1524548"	177.976708	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+IsoProp+Na+H"	84.054008
"991120"	88.995176	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+2ACN+2H"	84.067652
"1588537"	178.891328	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+K+HCOOH"	84.968628
"1415656"	208.922838	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+H+CF3COOH"	115.000138
"1147154"	109.508451	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+3ACN+2H"	125.094202
"1699875"	225.949385	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+NH4+CF3COOH"	132.026685
"1644274"	230.90478	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+Na+CF3COOH"	136.98208
"1575550"	246.87872	"C07755"	"Magnesium chloride;Magnesium chloride anhydrous"	"MgCl2"	"93.9227"	"M+K+CF3COOH"	152.95602
"812477"	272.0467	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M"	0
"988197"	253.02831	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-H2O-H"	-19.01839
"75353"	180.357190666667	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M-3H"	-3.021828
"517102"	271.039424	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M-3H"	-3.021828
"891623"	89.6749573333333	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-3H"	-3.021828
"14211"	271.039424	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M-2H"	-2.014552
"454864"	407.062774	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M-2H"	-2.014552
"823181"	135.016074	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-2H"	-2.014552
"93016"	543.086124	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M-H"	-1.007276
"531484"	815.132824	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M-H"	-1.007276
"904911"	271.039424	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-H"	-1.007276
"60382"	560.112671	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M-2H+NH4"	16.019271
"497754"	832.159371	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M-2H+NH4"	16.019271
"877742"	288.065971	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-2H+NH4"	16.019271
"42363"	565.068066	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M-2H+Na"	20.974666
"483016"	837.114766	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M-2H+Na"	20.974666
"853526"	293.021366	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-2H+Na"	20.974666
"1628163"	293.021366	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Na-2H"	20.974666
"102506"	289.027763	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M-H+Cl"	33.962126
"543157"	425.051113	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M-H+Cl"	33.962126
"934488"	153.004413	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-H+Cl"	33.962126
"271587"	579.062802	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+Cl"	34.969402
"663647"	851.109502	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+Cl"	34.969402
"1274349"	307.016102	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Cl"	34.969402
"17029"	581.042006	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M-2H+K"	36.948606
"457930"	853.088706	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M-2H+K"	36.948606
"836705"	308.995306	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-2H+K"	36.948606
"1558006"	308.995306	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+K-2H"	36.948606
"952451"	317.044894	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-H+HCOOH"	44.998194
"367387"	589.091601	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+HCOOH-H"	44.998201
"350176"	603.107251	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+Hac-H"	59.013851
"1497915"	331.060551	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Hac-H"	59.013851
"970925"	339.026851	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-H+NaCOOH"	66.980151
"124454"	307.016102	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+2Cl"	69.938804
"564505"	443.039452	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+2Cl"	69.938804
"1036582"	170.992752	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2Cl"	69.938804
"1255797"	350.965585	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Br"	78.918885
"1317514"	353.021572	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Cl+HCOOH"	80.974872
"1334526"	375.003529	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Cl+NaCOOH"	102.956829
"922057"	385.032286	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M-H+CF3COOH"	112.985586
"1300950"	421.008964	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Cl+CF3COOH"	148.962264
"1371819"	237.034024	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H-2H2O"	-35.012676
"1393326"	255.044	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H-H2O"	-17.0027
"290826"	545.100676	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+H"	1.007276
"677779"	817.147376	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+H"	1.007276
"1362877"	273.053976	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H"	1.007276
"130662"	273.053976	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+2H"	2.014552
"568036"	409.077326	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+2H"	2.014552
"1039751"	137.030626	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2H"	2.014552
"206558"	182.371742666667	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+3H"	3.021828
"645389"	273.053976	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+3H"	3.021828
"1164000"	91.6895093333333	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+3H"	3.021828
"438951"	562.127223	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+NH4"	18.033823
"797273"	834.173923	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+NH4"	18.033823
"1690323"	290.080523	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+NH4"	18.033823
"337507"	281.5672495	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+H+NH4"	19.041099
"737584"	417.5905995	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+H+NH4"	19.041099
"1484843"	145.5438995	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H+NH4"	19.041099
"399150"	567.082618	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+Na"	22.989218
"759051"	839.129318	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+Na"	22.989218
"1612619"	295.035918	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Na"	22.989218
"320465"	284.044947	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+H+Na"	23.996494
"711796"	420.068297	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+H+Na"	23.996494
"1465616"	148.021597	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H+Na"	23.996494
"1068061"	99.0168233333333	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2H+Na"	25.00377
"1264916"	305.080186	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+CH3OH+H"	33.033486
"388959"	583.056558	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+K"	38.963158
"749954"	855.103258	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+K"	38.963158
"1548727"	311.009858	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+K"	38.963158
"309182"	292.031917	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+H+K"	39.970434
"693583"	428.055267	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+H+K"	39.970434
"1448861"	156.008567	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H+K"	39.970434
"240749"	586.127226	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+ACN+H"	42.033826
"1215644"	314.080526	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+ACN+H"	42.033826
"1208784"	157.543901	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+ACN+2H"	43.041102
"202264"	589.06456	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+2Na-H"	44.97116
"642909"	861.11126	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+2Na-H"	44.97116
"1146055"	317.01786	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2Na-H"	44.97116
"186061"	295.035918	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+2Na"	45.978436
"627808"	431.059268	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+2Na"	45.978436
"1128762"	159.012568	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2Na"	45.978436
"1412655"	106.344137333333	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H+2Na"	46.985712
"1444771"	319.059446	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H+HCOOH"	47.012746
"234105"	300.06894	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+3H2O+2H"	56.04448
"1523258"	333.11149	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+IsoProp+H"	61.06479
"423308"	303.022888	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+Na+K"	61.952376
"784304"	439.046238	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+Na+K"	61.952376
"1680633"	166.999538	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Na+K"	61.952376
"262044"	608.109168	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+ACN+Na"	64.015768
"1238036"	336.062468	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+ACN+Na"	64.015768
"1725101"	336.085993	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+NH4+HCOOH"	64.039293
"1184620"	113.671451333333	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+3Na"	68.967654
"1661811"	341.041388	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Na+HCOOH"	68.994688
"170132"	621.01244	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+2K-H"	76.91904
"606410"	893.05914	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+2K-H"	76.91904
"1087640"	348.96574	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2K-H"	76.91904
"147739"	311.009858	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"2M+2K"	77.926316
"586207"	447.033208	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"3M+2K"	77.926316
"1069743"	174.986508	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2K"	77.926316
"1100764"	350.980292	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2K+H"	78.933592
"1335848"	351.067907	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+DMSO+H"	79.021207
"1007386"	355.107076	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2ACN+H"	83.060376
"1524770"	356.100708	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+IsoProp+Na+H"	84.054008
"990048"	178.057176	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+2ACN+2H"	84.067652
"1587916"	357.015328	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+K+HCOOH"	84.968628
"1415034"	387.046838	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+H+CF3COOH"	115.000138
"1148238"	198.570451	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+3ACN+2H"	125.094202
"1697431"	404.073385	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+NH4+CF3COOH"	132.026685
"1637823"	409.02878	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+Na+CF3COOH"	136.98208
"1575660"	425.00272	"C07756"	"7-Aminocephalosporanic acid;7-Aminocephalosporinic acid;7-ACA;(7R)-7-Aminocephalosporanate"	"C10H12N2O5S"	"272.0467"	"M+K+CF3COOH"	152.95602
"812587"	421.0378	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M"	0
"988307"	402.01941	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-H2O-H"	-19.01839
"76556"	279.684590666667	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M-3H"	-3.021828
"517212"	420.030524	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M-3H"	-3.021828
"889546"	139.338657333333	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-3H"	-3.021828
"10309"	420.030524	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M-2H"	-2.014552
"452054"	630.549424	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M-2H"	-2.014552
"823291"	209.511624	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-2H"	-2.014552
"92031"	841.068324	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M-H"	-1.007276
"527221"	1262.106124	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M-H"	-1.007276
"903927"	420.030524	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-H"	-1.007276
"59399"	858.094871	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M-2H+NH4"	16.019271
"498958"	1279.132671	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M-2H+NH4"	16.019271
"870198"	437.057071	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-2H+NH4"	16.019271
"38100"	863.050266	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M-2H+Na"	20.974666
"475472"	1284.088066	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M-2H+Na"	20.974666
"853634"	442.012466	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-2H+Na"	20.974666
"1627177"	442.012466	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Na-2H"	20.974666
"98242"	438.018863	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M-H+Cl"	33.962126
"539987"	648.537763	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M-H+Cl"	33.962126
"929133"	227.499963	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-H+Cl"	33.962126
"270967"	877.045002	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+Cl"	34.969402
"661934"	1298.082802	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+Cl"	34.969402
"1276888"	456.007202	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Cl"	34.969402
"20540"	879.024206	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M-2H+K"	36.948606
"464476"	1300.062006	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M-2H+K"	36.948606
"842277"	457.986406	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-2H+K"	36.948606
"1560298"	457.986406	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+K-2H"	36.948606
"950374"	466.035994	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-H+HCOOH"	44.998194
"367497"	887.073801	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+HCOOH-H"	44.998201
"355755"	901.089451	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+Hac-H"	59.013851
"1503494"	480.051651	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Hac-H"	59.013851
"971035"	488.017951	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-H+NaCOOH"	66.980151
"124320"	456.007202	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+2Cl"	69.938804
"565339"	666.526102	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+2Cl"	69.938804
"1035597"	245.488302	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2Cl"	69.938804
"1255177"	499.956685	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Br"	78.918885
"1314706"	502.012672	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Cl+HCOOH"	80.974872
"1331110"	523.994629	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Cl+NaCOOH"	102.956829
"922167"	534.023386	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M-H+CF3COOH"	112.985586
"1301060"	570.000064	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Cl+CF3COOH"	148.962264
"1377032"	386.025124	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H-2H2O"	-35.012676
"1394530"	404.0351	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H-H2O"	-17.0027
"290936"	843.082876	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+H"	1.007276
"684450"	1264.120676	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+H"	1.007276
"1362987"	422.045076	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H"	1.007276
"130409"	422.045076	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+2H"	2.014552
"569968"	632.563976	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+2H"	2.014552
"1042051"	211.526176	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2H"	2.014552
"208495"	281.699142666667	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+3H"	3.021828
"651701"	422.045076	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+3H"	3.021828
"1167272"	141.353209333333	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+3H"	3.021828
"438575"	860.109423	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+NH4"	18.033823
"794103"	1281.147223	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+NH4"	18.033823
"1690433"	439.071623	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+NH4"	18.033823
"343085"	430.5583495	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+H+NH4"	19.041099
"737334"	641.0772495	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+H+NH4"	19.041099
"1488234"	220.0394495	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H+NH4"	19.041099
"399260"	865.064818	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+Na"	22.989218
"761348"	1286.102618	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+Na"	22.989218
"1612729"	444.027018	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Na"	22.989218
"319482"	433.036047	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+H+Na"	23.996494
"714092"	643.554947	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+H+Na"	23.996494
"1466820"	222.517147	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H+Na"	23.996494
"1064806"	148.680523333333	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2H+Na"	25.00377
"1268307"	454.071286	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+CH3OH+H"	33.033486
"389070"	881.038758	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+K"	38.963158
"747878"	1302.076558	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+K"	38.963158
"1544464"	460.000958	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+K"	38.963158
"301638"	441.023017	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+H+K"	39.970434
"697339"	651.541917	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+H+K"	39.970434
"1447878"	230.504117	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H+K"	39.970434
"244141"	884.109426	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+ACN+H"	42.033826
"1215755"	463.071626	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+ACN+H"	42.033826
"1209900"	232.039451	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+ACN+2H"	43.041102
"204185"	887.04676	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+2Na-H"	44.97116
"642292"	1308.08456	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+2Na-H"	44.97116
"1146854"	466.00896	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2Na-H"	44.97116
"187995"	444.027018	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+2Na"	45.978436
"626460"	654.545918	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+2Na"	45.978436
"1129239"	233.508118	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2Na"	45.978436
"1412765"	156.007837333333	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H+2Na"	46.985712
"1444398"	468.050546	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H+HCOOH"	47.012746
"234939"	449.06004	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+3H2O+2H"	56.04448
"1521908"	482.10259	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+IsoProp+H"	61.06479
"421595"	452.013988	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+Na+K"	61.952376
"782224"	662.532888	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+Na+K"	61.952376
"1677821"	241.495088	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Na+K"	61.952376
"261060"	906.091368	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+ACN+Na"	64.015768
"1236322"	485.053568	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+ACN+Na"	64.015768
"1716458"	485.077093	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+NH4+HCOOH"	64.039293
"1181808"	163.335151333333	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+3Na"	68.967654
"1661192"	490.032488	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Na+HCOOH"	68.994688
"169149"	918.99464	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+2K-H"	76.91904
"605427"	1340.03244	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+2K-H"	76.91904
"1087751"	497.95684	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2K-H"	76.91904
"147849"	460.000958	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"2M+2K"	77.926316
"585224"	670.519858	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"3M+2K"	77.926316
"1068719"	249.482058	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2K"	77.926316
"1100388"	499.971392	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2K+H"	78.933592
"1337506"	500.059007	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+DMSO+H"	79.021207
"1007009"	504.098176	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2ACN+H"	83.060376
"1524232"	505.091808	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+IsoProp+Na+H"	84.054008
"990487"	252.552726	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+2ACN+2H"	84.067652
"1587337"	506.006428	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+K+HCOOH"	84.968628
"1414181"	536.037938	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+H+CF3COOH"	115.000138
"1147540"	273.066001	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+3ACN+2H"	125.094202
"1697211"	553.064485	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+NH4+CF3COOH"	132.026685
"1634652"	558.01988	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+Na+CF3COOH"	136.98208
"1575770"	573.99382	"C07758"	"Bendroflumethiazide"	"C15H14F3N3O4S2"	"421.0378"	"M+K+CF3COOH"	152.95602
"806136"	430.9835	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M"	0
"979669"	411.96511	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-H2O-H"	-19.01839
"76545"	286.315057333333	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M-3H"	-3.021828
"516228"	429.976224	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M-3H"	-3.021828
"891843"	142.653890666667	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-3H"	-3.021828
"11511"	429.976224	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M-2H"	-2.014552
"453987"	645.467974	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M-2H"	-2.014552
"825588"	214.484474	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-2H"	-2.014552
"84488"	860.959724	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M-H"	-1.007276
"527330"	1291.943224	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M-H"	-1.007276
"906225"	429.976224	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-H"	-1.007276
"59508"	877.986271	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M-2H+NH4"	16.019271
"499068"	1308.969771	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M-2H+NH4"	16.019271
"873588"	447.002771	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-2H+NH4"	16.019271
"41490"	882.941666	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M-2H+Na"	20.974666
"477040"	1313.925166	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M-2H+Na"	20.974666
"854476"	451.958166	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-2H+Na"	20.974666
"1626196"	451.958166	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Na-2H"	20.974666
"100538"	447.964563	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M-H+Cl"	33.962126
"539008"	663.456313	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M-H+Cl"	33.962126
"932524"	232.472813	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-H+Cl"	33.962126
"271082"	896.936402	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+Cl"	34.969402
"662410"	1327.919902	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+Cl"	34.969402
"1276999"	465.952902	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Cl"	34.969402
"20650"	898.915606	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M-2H+K"	36.948606
"464586"	1329.899106	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M-2H+K"	36.948606
"840200"	467.932106	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-2H+K"	36.948606
"1557128"	467.932106	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+K-2H"	36.948606
"956317"	475.981694	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-H+HCOOH"	44.998194
"369794"	906.965201	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+HCOOH-H"	44.998201
"355865"	920.980851	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+Hac-H"	59.013851
"1504698"	489.997351	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Hac-H"	59.013851
"971875"	497.963651	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-H+NaCOOH"	66.980151
"117869"	465.952902	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+2Cl"	69.938804
"563626"	681.444652	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+2Cl"	69.938804
"1027320"	250.461152	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2Cl"	69.938804
"1246897"	509.902385	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Br"	78.918885
"1312626"	511.958372	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Cl+HCOOH"	80.974872
"1330122"	533.940329	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Cl+NaCOOH"	102.956829
"921181"	543.969086	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M-H+CF3COOH"	112.985586
"1296795"	579.945764	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Cl+CF3COOH"	148.962264
"1371675"	395.970824	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H-2H2O"	-35.012676
"1390266"	413.9808	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H-H2O"	-17.0027
"285943"	862.974276	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+H"	1.007276
"678000"	1293.957776	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+H"	1.007276
"1360910"	431.990776	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H"	1.007276
"127965"	431.990776	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+2H"	2.014552
"568255"	647.482526	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+2H"	2.014552
"1041067"	216.499026	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2H"	2.014552
"208240"	288.329609333333	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+3H"	3.021828
"649258"	431.990776	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+3H"	3.021828
"1169569"	144.668442666667	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+3H"	3.021828
"438444"	880.000823	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+NH4"	18.033823
"796765"	1310.984323	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+NH4"	18.033823
"1689449"	449.017323	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+NH4"	18.033823
"344778"	440.5040495	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+H+NH4"	19.041099
"736955"	655.9957995	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+H+NH4"	19.041099
"1483969"	225.0122995	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H+NH4"	19.041099
"400460"	884.956218	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+Na"	22.989218
"762550"	1315.939718	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+Na"	22.989218
"1610648"	453.972718	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Na"	22.989218
"322872"	442.981747	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+H+Na"	23.996494
"713106"	658.473497	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+H+Na"	23.996494
"1468022"	227.489997	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H+Na"	23.996494
"1059083"	151.995756666667	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2H+Na"	25.00377
"1267688"	464.016986	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+CH3OH+H"	33.033486
"392098"	900.930158	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+K"	38.963158
"747987"	1331.913658	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+K"	38.963158
"1552957"	469.946658	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+K"	38.963158
"307216"	450.968717	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+H+K"	39.970434
"697451"	666.460467	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+H+K"	39.970434
"1449082"	235.476967	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H+K"	39.970434
"239875"	904.000826	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+ACN+H"	42.033826
"1218051"	473.017326	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+ACN+H"	42.033826
"1209606"	237.012301	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+ACN+2H"	43.041102
"203077"	906.93816	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+2Na-H"	44.97116
"641915"	1337.92166	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+2Na-H"	44.97116
"1146152"	475.95466	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2Na-H"	44.97116
"186280"	453.972718	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+2Na"	45.978436
"626572"	669.464468	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+2Na"	45.978436
"1127891"	238.480968	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2Na"	45.978436
"1411052"	159.323070666667	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H+2Na"	46.985712
"1443166"	477.996246	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H+HCOOH"	47.012746
"231399"	459.00574	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+3H2O+2H"	56.04448
"1520924"	492.04829	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+IsoProp+H"	61.06479
"420975"	461.959688	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+Na+K"	61.952376
"780873"	677.451438	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+Na+K"	61.952376
"1676110"	246.467938	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Na+K"	61.952376
"255703"	925.982768	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+ACN+Na"	64.015768
"1230963"	494.999268	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+ACN+Na"	64.015768
"1717298"	495.022793	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+NH4+HCOOH"	64.039293
"1181555"	166.650384666667	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+3Na"	68.967654
"1663491"	499.978188	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Na+HCOOH"	68.994688
"171447"	938.88604	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+2K-H"	76.91904
"609911"	1369.86954	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+2K-H"	76.91904
"1087133"	507.90254	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2K-H"	76.91904
"147960"	469.946658	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"2M+2K"	77.926316
"585334"	685.438408	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"3M+2K"	77.926316
"1070939"	254.454908	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2K"	77.926316
"1101960"	509.917092	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2K+H"	78.933592
"1337251"	510.004707	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+DMSO+H"	79.021207
"1007241"	514.043876	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2ACN+H"	83.060376
"1524755"	515.037508	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+IsoProp+Na+H"	84.054008
"990720"	257.525576	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+2ACN+2H"	84.067652
"1588141"	515.952128	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+K+HCOOH"	84.968628
"1414443"	545.983638	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+H+CF3COOH"	115.000138
"1147731"	278.038851	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+3ACN+2H"	125.094202
"1700205"	563.010185	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+NH4+CF3COOH"	132.026685
"1638042"	567.96558	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+Na+CF3COOH"	136.98208
"1582441"	583.93952	"C07759"	"Benzthiazide"	"C15H14ClN3O4S3"	"430.9835"	"M+K+CF3COOH"	152.95602
"804059"	383.0643	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M"	0
"988892"	364.04591	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-H2O-H"	-19.01839
"76776"	254.368924	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M-3H"	-3.021828
"515246"	382.057024	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M-3H"	-3.021828
"891953"	126.680824	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-3H"	-3.021828
"8340"	382.057024	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M-2H"	-2.014552
"453369"	573.589174	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M-2H"	-2.014552
"821326"	190.524874	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-2H"	-2.014552
"86785"	765.121324	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M-H"	-1.007276
"526346"	1148.185624	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M-H"	-1.007276
"906335"	382.057024	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-H"	-1.007276
"62174"	782.147871	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M-2H+NH4"	16.019271
"496992"	1165.212171	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M-2H+NH4"	16.019271
"872604"	399.083571	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-2H+NH4"	16.019271
"42331"	787.103266	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M-2H+Na"	20.974666
"478973"	1170.167566	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M-2H+Na"	20.974666
"857866"	404.038966	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-2H+Na"	20.974666
"1627400"	404.038966	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Na-2H"	20.974666
"99555"	400.045363	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M-H+Cl"	33.962126
"539116"	591.577513	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M-H+Cl"	33.962126
"931540"	208.513213	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-H+Cl"	33.962126
"278844"	801.098002	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+Cl"	34.969402
"660695"	1184.162302	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+Cl"	34.969402
"1280391"	418.033702	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Cl"	34.969402
"19666"	803.077206	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M-2H+K"	36.948606
"458136"	1186.141506	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M-2H+K"	36.948606
"833061"	420.012906	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-2H+K"	36.948606
"1559426"	420.012906	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+K-2H"	36.948606
"956062"	428.062494	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-H+HCOOH"	44.998194
"368811"	811.126801	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+HCOOH-H"	44.998201
"355975"	825.142451	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+Hac-H"	59.013851
"1504808"	442.078151	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Hac-H"	59.013851
"967974"	450.044451	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-H+NaCOOH"	66.980151
"122353"	418.033702	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+2Cl"	69.938804
"563007"	609.565852	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+2Cl"	69.938804
"1027430"	226.501552	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2Cl"	69.938804
"1250288"	461.983185	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Br"	78.918885
"1313831"	464.039172	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Cl+HCOOH"	80.974872
"1330232"	486.021129	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Cl+NaCOOH"	102.956829
"923477"	496.049886	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M-H+CF3COOH"	112.985586
"1296905"	532.026564	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Cl+CF3COOH"	148.962264
"1377254"	348.051624	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H-2H2O"	-35.012676
"1389283"	366.0616	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H-H2O"	-17.0027
"293344"	767.135876	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+H"	1.007276
"681391"	1150.200176	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+H"	1.007276
"1361020"	384.071576	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H"	1.007276
"129900"	384.071576	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+2H"	2.014552
"569458"	575.603726	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+2H"	2.014552
"1043364"	192.539426	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2H"	2.014552
"209078"	256.383476	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+3H"	3.021828
"650461"	384.071576	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+3H"	3.021828
"1168586"	128.695376	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+3H"	3.021828
"438676"	784.162423	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+NH4"	18.033823
"796875"	1167.226723	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+NH4"	18.033823
"1690653"	401.098123	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+NH4"	18.033823
"342577"	392.5848495	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+H+NH4"	19.041099
"736094"	584.1169995	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+H+NH4"	19.041099
"1489544"	201.0526995	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H+NH4"	19.041099
"402757"	789.117818	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+Na"	22.989218
"763753"	1172.182118	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+Na"	22.989218
"1612944"	406.053518	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Na"	22.989218
"324075"	395.062547	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+H+Na"	23.996494
"712124"	586.594697	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+H+Na"	23.996494
"1470318"	203.530397	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H+Na"	23.996494
"1062472"	136.02269	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2H+Na"	25.00377
"1271447"	416.097786	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+CH3OH+H"	33.033486
"390021"	805.091758	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+K"	38.963158
"748826"	1188.156058	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+K"	38.963158
"1553432"	422.027458	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+K"	38.963158
"308419"	403.049517	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+H+K"	39.970434
"699748"	594.581667	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+H+K"	39.970434
"1451378"	211.517367	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H+K"	39.970434
"243266"	808.162426	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+ACN+H"	42.033826
"1218162"	425.098126	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+ACN+H"	42.033826
"1209228"	213.052701	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+ACN+2H"	43.041102
"202703"	811.09976	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+2Na-H"	44.97116
"641418"	1194.16406	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+2Na-H"	44.97116
"1145290"	428.03546	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2Na-H"	44.97116
"186757"	406.053518	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+2Na"	45.978436
"625589"	597.585668	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+2Na"	45.978436
"1129459"	214.521368	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2Na"	45.978436
"1410796"	143.350004	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H+2Na"	46.985712
"1443642"	430.077046	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H+HCOOH"	47.012746
"232601"	411.08654	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+3H2O+2H"	56.04448
"1520668"	444.12909	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+IsoProp+H"	61.06479
"420717"	414.040488	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+Na+K"	61.952376
"780983"	605.572638	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+Na+K"	61.952376
"1671480"	222.508338	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Na+K"	61.952376
"255812"	830.144368	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+ACN+Na"	64.015768
"1230709"	447.080068	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+ACN+Na"	64.015768
"1715586"	447.103593	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+NH4+HCOOH"	64.039293
"1182031"	150.677318	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+3Na"	68.967654
"1664694"	452.058988	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Na+HCOOH"	68.994688
"172413"	843.04764	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+2K-H"	76.91904
"611359"	1226.11194	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+2K-H"	76.91904
"1092346"	459.98334	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2K-H"	76.91904
"152442"	422.027458	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"2M+2K"	77.926316
"582529"	613.559608	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"3M+2K"	77.926316
"1071051"	230.495308	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2K"	77.926316
"1105352"	461.997892	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2K+H"	78.933592
"1341736"	462.085507	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+DMSO+H"	79.021207
"1011362"	466.124676	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2ACN+H"	83.060376
"1524748"	467.118308	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+IsoProp+Na+H"	84.054008
"993748"	233.565976	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+2ACN+2H"	84.067652
"1588615"	468.032928	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+K+HCOOH"	84.968628
"1414758"	498.064438	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+H+CF3COOH"	115.000138
"1147598"	254.079251	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+3ACN+2H"	125.094202
"1697087"	515.090985	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+NH4+CF3COOH"	132.026685
"1638152"	520.04638	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+Na+CF3COOH"	136.98208
"1582551"	536.02032	"C07760"	"Brinzolamide"	"C12H21N3O5S3"	"383.0643"	"M+K+CF3COOH"	152.95602
"812917"	396.045	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M"	0
"987544"	377.02661	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-H2O-H"	-19.01839
"74700"	263.022724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M-3H"	-3.021828
"516447"	395.037724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M-3H"	-3.021828
"888782"	131.007724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-3H"	-3.021828
"11730"	395.037724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M-2H"	-2.014552
"451289"	593.060224	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M-2H"	-2.014552
"821436"	197.015224	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-2H"	-2.014552
"85801"	791.082724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M-H"	-1.007276
"525362"	1187.127724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M-H"	-1.007276
"909361"	395.037724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-H"	-1.007276
"60461"	808.109271	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M-2H+NH4"	16.019271
"499290"	1204.154271	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M-2H+NH4"	16.019271
"871622"	412.064271	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-2H+NH4"	16.019271
"44629"	813.064666	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M-2H+Na"	20.974666
"481271"	1209.109666	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M-2H+Na"	20.974666
"857977"	417.019666	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-2H+Na"	20.974666
"1627511"	417.019666	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Na-2H"	20.974666
"100760"	413.026063	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M-H+Cl"	33.962126
"538860"	611.048563	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M-H+Cl"	33.962126
"929828"	215.003563	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-H+Cl"	33.962126
"277861"	827.059402	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+Cl"	34.969402
"663726"	1223.104402	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+Cl"	34.969402
"1280501"	431.014402	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Cl"	34.969402
"20870"	829.038606	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M-2H+K"	36.948606
"464806"	1225.083606	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M-2H+K"	36.948606
"834955"	432.993606	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-2H+K"	36.948606
"1556620"	432.993606	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+K-2H"	36.948606
"955446"	441.043194	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-H+HCOOH"	44.998194
"376457"	837.088201	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+HCOOH-H"	44.998201
"356086"	851.103851	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+Hac-H"	59.013851
"1506742"	455.058851	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Hac-H"	59.013851
"969908"	463.025151	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-H+NaCOOH"	66.980151
"122097"	431.014402	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+2Cl"	69.938804
"562024"	629.036902	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+2Cl"	69.938804
"1029727"	232.991902	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2Cl"	69.938804
"1251492"	474.963885	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Br"	78.918885
"1315034"	477.019872	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Cl+HCOOH"	80.974872
"1333625"	499.001829	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Cl+NaCOOH"	102.956829
"920306"	509.030586	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M-H+CF3COOH"	112.985586
"1295922"	545.007264	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Cl+CF3COOH"	148.962264
"1380645"	361.032324	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H-2H2O"	-35.012676
"1392674"	379.0423	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H-H2O"	-17.0027
"292361"	793.097276	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+H"	1.007276
"681501"	1189.142276	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+H"	1.007276
"1360037"	397.052276	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H"	1.007276
"128552"	397.052276	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+2H"	2.014552
"567747"	595.074776	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+2H"	2.014552
"1041287"	199.029776	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2H"	2.014552
"211741"	265.037276	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+3H"	3.021828
"654218"	397.052276	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+3H"	3.021828
"1168332"	133.022276	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+3H"	3.021828
"438915"	810.123823	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+NH4"	18.033823
"799902"	1206.168823	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+NH4"	18.033823
"1696556"	414.078823	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+NH4"	18.033823
"343052"	405.5655495	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+H+NH4"	19.041099
"736572"	603.5880495	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+H+NH4"	19.041099
"1488564"	207.5430495	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H+NH4"	19.041099
"401777"	815.079218	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+Na"	22.989218
"760585"	1211.124218	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+Na"	22.989218
"1615245"	419.034218	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Na"	22.989218
"326373"	408.043247	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+H+Na"	23.996494
"715514"	606.065747	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+H+Na"	23.996494
"1471522"	210.020747	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H+Na"	23.996494
"1061489"	140.34959	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2H+Na"	25.00377
"1272169"	429.078486	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+CH3OH+H"	33.033486
"391717"	831.053158	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+K"	38.963158
"752948"	1227.098158	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+K"	38.963158
"1551355"	435.008158	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+K"	38.963158
"311081"	416.030217	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+H+K"	39.970434
"700951"	614.052717	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+H+K"	39.970434
"1452583"	218.007717	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H+K"	39.970434
"245565"	834.123826	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+ACN+H"	42.033826
"1218272"	438.078826	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+ACN+H"	42.033826
"1208489"	219.543051	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+ACN+2H"	43.041102
"202933"	837.06116	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+2Na-H"	44.97116
"641169"	1233.10616	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+2Na-H"	44.97116
"1144548"	441.01616	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2Na-H"	44.97116
"184680"	419.034218	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+2Na"	45.978436
"625699"	617.056718	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+2Na"	45.978436
"1128111"	221.011718	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2Na"	45.978436
"1411880"	147.676904	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H+2Na"	46.985712
"1443145"	443.057746	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H+HCOOH"	47.012746
"234170"	424.06724	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+3H2O+2H"	56.04448
"1516764"	457.10979	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+IsoProp+H"	61.06479
"420103"	427.021188	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+Na+K"	61.952376
"782553"	625.043688	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+Na+K"	61.952376
"1674872"	228.998688	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Na+K"	61.952376
"261390"	856.105768	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+ACN+Na"	64.015768
"1234466"	460.060768	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+ACN+Na"	64.015768
"1720800"	460.084293	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+NH4+HCOOH"	64.039293
"1186153"	155.004218	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+3Na"	68.967654
"1661520"	465.039688	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Na+HCOOH"	68.994688
"171907"	869.00904	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+2K-H"	76.91904
"611836"	1265.05404	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+2K-H"	76.91904
"1094643"	472.96404	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2K-H"	76.91904
"154740"	435.008158	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"2M+2K"	77.926316
"583003"	633.030658	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"3M+2K"	77.926316
"1071160"	236.985658	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2K"	77.926316
"1105462"	474.978592	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2K+H"	78.933592
"1341846"	475.066207	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+DMSO+H"	79.021207
"1014753"	479.105376	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2ACN+H"	83.060376
"1526681"	480.099008	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+IsoProp+Na+H"	84.054008
"996045"	240.056326	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+2ACN+2H"	84.067652
"1590547"	481.013628	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+K+HCOOH"	84.968628
"1416207"	511.045138	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+H+CF3COOH"	115.000138
"1149777"	260.569601	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+3ACN+2H"	125.094202
"1697507"	528.071685	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+NH4+CF3COOH"	132.026685
"1641543"	533.02708	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+Na+CF3COOH"	136.98208
"1582661"	549.00102	"C07761"	"Cephalothin;Cefalotin"	"C16H16N2O6S2"	"396.045"	"M+K+CF3COOH"	152.95602
"803186"	330.9908	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M"	0
"986559"	311.97241	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-H2O-H"	-19.01839
"75903"	219.653257333333	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M-3H"	-3.021828
"515463"	329.983524	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M-3H"	-3.021828
"888892"	109.322990666667	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-3H"	-3.021828
"14027"	329.983524	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M-2H"	-2.014552
"454679"	495.478924	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M-2H"	-2.014552
"824826"	164.488124	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-2H"	-2.014552
"85911"	660.974324	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M-H"	-1.007276
"525471"	991.965124	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M-H"	-1.007276
"906554"	329.983524	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-H"	-1.007276
"59841"	678.000871	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M-2H+NH4"	16.019271
"500493"	1008.991671	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M-2H+NH4"	16.019271
"871732"	347.010071	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-2H+NH4"	16.019271
"44739"	682.956266	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M-2H+Na"	20.974666
"482474"	1013.947066	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M-2H+Na"	20.974666
"859180"	351.965466	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-2H+Na"	20.974666
"1628714"	351.965466	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Na-2H"	20.974666
"101962"	347.971863	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M-H+Cl"	33.962126
"540428"	513.467263	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M-H+Cl"	33.962126
"930667"	182.476463	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-H+Cl"	33.962126
"277971"	696.951002	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+Cl"	34.969402
"661037"	1027.941802	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+Cl"	34.969402
"1280611"	365.960202	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Cl"	34.969402
"20980"	698.930206	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M-2H+K"	36.948606
"467102"	1029.921006	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M-2H+K"	36.948606
"836157"	367.939406	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-2H+K"	36.948606
"1561833"	367.939406	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+K-2H"	36.948606
"954094"	375.988994	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-H+HCOOH"	44.998194
"376649"	706.979801	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+HCOOH-H"	44.998201
"356196"	720.995451	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+Hac-H"	59.013851
"1506731"	390.004651	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Hac-H"	59.013851
"970747"	397.970951	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-H+NaCOOH"	66.980151
"122571"	365.960202	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+2Cl"	69.938804
"562134"	531.455602	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+2Cl"	69.938804
"1030930"	200.464802	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2Cl"	69.938804
"1254881"	409.909685	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Br"	78.918885
"1316237"	411.965672	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Cl+HCOOH"	80.974872
"1332641"	433.947629	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Cl+NaCOOH"	102.956829
"923697"	443.976386	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M-H+CF3COOH"	112.985586
"1298219"	479.953064	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Cl+CF3COOH"	148.962264
"1381849"	295.978124	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H-2H2O"	-35.012676
"1396794"	313.9881	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H-H2O"	-17.0027
"294658"	662.988876	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+H"	1.007276
"685986"	993.979676	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+H"	1.007276
"1362335"	331.998076	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H"	1.007276
"135224"	331.998076	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+2H"	2.014552
"574785"	497.493476	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+2H"	2.014552
"1043950"	166.502676	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2H"	2.014552
"210758"	221.667809333333	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+3H"	3.021828
"653235"	331.998076	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+3H"	3.021828
"1167348"	111.337542666667	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+3H"	3.021828
"439791"	680.015423	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+NH4"	18.033823
"799647"	1011.006223	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+NH4"	18.033823
"1694885"	349.024623	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+NH4"	18.033823
"343163"	340.5113495	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+H+NH4"	19.041099
"732667"	506.0067495	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+H+NH4"	19.041099
"1486487"	175.0159495	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H+NH4"	19.041099
"401887"	684.970818	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+Na"	22.989218
"766893"	1015.961618	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+Na"	22.989218
"1615355"	353.980018	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Na"	22.989218
"326118"	342.989047	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+H+Na"	23.996494
"718904"	508.484447	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+H+Na"	23.996494
"1472726"	177.493647	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H+Na"	23.996494
"1063786"	118.664856666667	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2H+Na"	25.00377
"1271667"	364.024286	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+CH3OH+H"	33.033486
"391335"	700.944758	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+K"	38.963158
"752328"	1031.935558	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+K"	38.963158
"1553654"	369.953958	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+K"	38.963158
"314107"	350.976017	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+H+K"	39.970434
"703248"	516.471417	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+H+K"	39.970434
"1453785"	185.480617	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H+K"	39.970434
"244579"	704.015426	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+ACN+H"	42.033826
"1219475"	373.024626	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+ACN+H"	42.033826
"1208480"	187.015951	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+ACN+2H"	43.041102
"202679"	706.95276	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+2Na-H"	44.97116
"641642"	1037.94356	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+2Na-H"	44.97116
"1144052"	375.96196	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2Na-H"	44.97116
"185762"	353.980018	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+2Na"	45.978436
"626535"	519.475418	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+2Na"	45.978436
"1129557"	188.484618	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2Na"	45.978436
"1412111"	125.992170666667	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H+2Na"	46.985712
"1443978"	378.003546	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H+HCOOH"	47.012746
"233185"	359.01304	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+3H2O+2H"	56.04448
"1519060"	392.05559	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+IsoProp+H"	61.06479
"417654"	361.966988	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+Na+K"	61.952376
"782663"	527.462388	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+Na+K"	61.952376
"1676075"	196.471588	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Na+K"	61.952376
"261500"	725.997368	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+ACN+Na"	64.015768
"1235304"	395.006568	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+ACN+Na"	64.015768
"1718723"	395.030093	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+NH4+HCOOH"	64.039293
"1184076"	133.319484666667	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+3Na"	68.967654
"1662723"	399.985488	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Na+HCOOH"	68.994688
"172018"	738.90064	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+2K-H"	76.91904
"609145"	1069.89144	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+2K-H"	76.91904
"1093660"	407.90984	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2K-H"	76.91904
"154850"	369.953958	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"2M+2K"	77.926316
"584206"	535.449358	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"3M+2K"	77.926316
"1072728"	204.458558	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2K"	77.926316
"1106665"	409.924392	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2K+H"	78.933592
"1341955"	410.012007	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+DMSO+H"	79.021207
"1014859"	414.051176	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2ACN+H"	83.060376
"1527520"	415.044808	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+IsoProp+Na+H"	84.054008
"996155"	207.529226	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+2ACN+2H"	84.067652
"1591022"	415.959428	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+K+HCOOH"	84.968628
"1416317"	445.990938	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+H+CF3COOH"	115.000138
"1148793"	228.042501	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+3ACN+2H"	125.094202
"1697739"	463.017485	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+NH4+CF3COOH"	132.026685
"1641653"	467.97288	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+Na+CF3COOH"	136.98208
"1582771"	483.94682	"C07763"	"Hydroflumethiazide"	"C8H8F3N3O4S2"	"330.9908"	"M+K+CF3COOH"	152.95602
"806576"	236.0038	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M"	0
"986669"	216.98541	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-H2O-H"	-19.01839
"77796"	156.328590666667	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M-3H"	-3.021828
"515573"	234.996524	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M-3H"	-3.021828
"887908"	77.6606573333333	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-3H"	-3.021828
"13044"	234.996524	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M-2H"	-2.014552
"454789"	352.998424	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M-2H"	-2.014552
"822748"	116.994624	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-2H"	-2.014552
"87113"	471.000324	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M-H"	-1.007276
"529954"	707.004124	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M-H"	-1.007276
"906664"	234.996524	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-H"	-1.007276
"61043"	488.026871	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M-2H+NH4"	16.019271
"498415"	724.030671	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M-2H+NH4"	16.019271
"872936"	252.023071	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-2H+NH4"	16.019271
"41929"	492.982266	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M-2H+Na"	20.974666
"479304"	728.986066	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M-2H+Na"	20.974666
"857101"	256.978466	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-2H+Na"	20.974666
"1627729"	256.978466	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Na-2H"	20.974666
"103165"	252.984863	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M-H+Cl"	33.962126
"540902"	370.986763	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M-H+Cl"	33.962126
"934056"	134.982963	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-H+Cl"	33.962126
"276987"	506.977002	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+Cl"	34.969402
"664673"	742.980802	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+Cl"	34.969402
"1277805"	270.973202	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Cl"	34.969402
"21090"	508.956206	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M-2H+K"	36.948606
"465025"	744.960006	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M-2H+K"	36.948606
"836267"	272.952406	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-2H+K"	36.948606
"1559756"	272.952406	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+K-2H"	36.948606
"955297"	281.001994	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-H+HCOOH"	44.998194
"376869"	517.005801	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+HCOOH-H"	44.998201
"358493"	531.021451	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+Hac-H"	59.013851
"1501859"	295.017651	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Hac-H"	59.013851
"969398"	302.983951	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-H+NaCOOH"	66.980151
"117212"	270.973202	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+2Cl"	69.938804
"554584"	388.975102	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+2Cl"	69.938804
"1034320"	152.971302	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2Cl"	69.938804
"1249524"	314.922685	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Br"	78.918885
"1316346"	316.978672	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Cl+HCOOH"	80.974872
"1331657"	338.960629	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Cl+NaCOOH"	102.956829
"925629"	348.989386	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M-H+CF3COOH"	112.985586
"1297235"	384.966064	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Cl+CF3COOH"	148.962264
"1382325"	200.991124	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H-2H2O"	-35.012676
"1395081"	219.0011	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H-H2O"	-17.0027
"295861"	473.014876	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+H"	1.007276
"686096"	709.018676	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+H"	1.007276
"1363538"	237.011076	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H"	1.007276
"135334"	237.011076	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+2H"	2.014552
"577081"	355.012976	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+2H"	2.014552
"1044058"	119.009176	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2H"	2.014552
"210504"	158.343142666667	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+3H"	3.021828
"654438"	237.011076	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+3H"	3.021828
"1166365"	79.6752093333333	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+3H"	3.021828
"439375"	490.041423	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+NH4"	18.033823
"800485"	726.045223	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+NH4"	18.033823
"1695358"	254.037623	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+NH4"	18.033823
"344729"	245.5243495	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+H+NH4"	19.041099
"733870"	363.5262495	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+H+NH4"	19.041099
"1486597"	127.5224495	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H+NH4"	19.041099
"401997"	494.996818	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+Na"	22.989218
"768096"	731.000618	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+Na"	22.989218
"1616559"	258.993018	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Na"	22.989218
"325499"	248.002047	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+H+Na"	23.996494
"715734"	366.003947	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+H+Na"	23.996494
"1474294"	130.000147	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H+Na"	23.996494
"1066815"	87.0025233333333	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2H+Na"	25.00377
"1269951"	269.037286	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+CH3OH+H"	33.033486
"392748"	510.970758	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+K"	38.963158
"753820"	746.974558	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+K"	38.963158
"1555182"	274.966958	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+K"	38.963158
"314140"	255.989017	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+H+K"	39.970434
"702993"	373.990917	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+H+K"	39.970434
"1451709"	137.987117	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H+K"	39.970434
"245782"	514.041426	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+ACN+H"	42.033826
"1219585"	278.037626	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+ACN+H"	42.033826
"1209197"	139.522451	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+ACN+2H"	43.041102
"204091"	516.97876	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+2Na-H"	44.97116
"641753"	752.98256	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+2Na-H"	44.97116
"1144890"	280.97496	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2Na-H"	44.97116
"185629"	258.993018	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+2Na"	45.978436
"624459"	376.994918	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+2Na"	45.978436
"1129787"	140.991118	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2Na"	45.978436
"1412582"	94.3298373333333	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H+2Na"	46.985712
"1444330"	283.016546	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H+HCOOH"	47.012746
"233295"	264.02604	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+3H2O+2H"	56.04448
"1518077"	297.06859	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+IsoProp+H"	61.06479
"419951"	266.979988	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+Na+K"	61.952376
"784594"	384.981888	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+Na+K"	61.952376
"1679102"	148.978088	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Na+K"	61.952376
"258330"	536.023368	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+ACN+Na"	64.015768
"1238330"	300.019568	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+ACN+Na"	64.015768
"1718833"	300.043093	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+NH4+HCOOH"	64.039293
"1184186"	101.657151333333	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+3Na"	68.967654
"1651524"	304.998488	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Na+HCOOH"	68.994688
"168600"	548.92664	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+2K-H"	76.91904
"610349"	784.93044	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+2K-H"	76.91904
"1097050"	312.92284	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2K-H"	76.91904
"154960"	274.966958	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"2M+2K"	77.926316
"586868"	392.968858	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"3M+2K"	77.926316
"1074661"	156.965058	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2K"	77.926316
"1105683"	314.937392	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2K+H"	78.933592
"1340972"	315.025007	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+DMSO+H"	79.021207
"1014969"	319.064176	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2ACN+H"	83.060376
"1529817"	320.057808	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+IsoProp+Na+H"	84.054008
"996265"	160.035726	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+2ACN+2H"	84.067652
"1589675"	320.972428	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+K+HCOOH"	84.968628
"1415698"	351.003938	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+H+CF3COOH"	115.000138
"1147444"	180.549001	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+3ACN+2H"	125.094202
"1697076"	368.030485	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+NH4+CF3COOH"	132.026685
"1645043"	372.98588	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+Na+CF3COOH"	136.98208
"1582881"	388.95982	"C07764"	"Methazolamide"	"C5H8N4O3S2"	"236.0038"	"M+K+CF3COOH"	152.95602
"806686"	358.9568	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M"	0
"984592"	339.93841	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-H2O-H"	-19.01839
"75757"	238.297257333333	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M-3H"	-3.021828
"514590"	357.949524	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M-3H"	-3.021828
"888018"	118.644990666667	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-3H"	-3.021828
"12060"	357.949524	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M-2H"	-2.014552
"451621"	537.427924	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M-2H"	-2.014552
"821036"	178.471124	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-2H"	-2.014552
"85036"	716.906324	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M-H"	-1.007276
"530064"	1075.863124	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M-H"	-1.007276
"906774"	357.949524	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-H"	-1.007276
"61641"	733.932871	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M-2H+NH4"	16.019271
"498525"	1092.889671	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M-2H+NH4"	16.019271
"873046"	374.976071	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-2H+NH4"	16.019271
"39852"	738.888266	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M-2H+Na"	20.974666
"479414"	1097.845066	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M-2H+Na"	20.974666
"855025"	379.931466	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-2H+Na"	20.974666
"1626746"	379.931466	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Na-2H"	20.974666
"102182"	375.937863	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M-H+Cl"	33.962126
"538462"	555.416263	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M-H+Cl"	33.962126
"931977"	196.459463	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-H+Cl"	33.962126
"276004"	752.883002	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+Cl"	34.969402
"669518"	1111.839802	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+Cl"	34.969402
"1275362"	393.926202	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Cl"	34.969402
"19012"	754.862206	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M-2H+K"	36.948606
"461855"	1113.819006	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M-2H+K"	36.948606
"839657"	395.905406	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-2H+K"	36.948606
"1563145"	395.905406	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+K-2H"	36.948606
"954679"	403.954994	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-H+HCOOH"	44.998194
"372897"	762.911801	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+HCOOH-H"	44.998201
"356417"	776.927451	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+Hac-H"	59.013851
"1504156"	417.970651	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Hac-H"	59.013851
"969873"	425.936951	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-H+NaCOOH"	66.980151
"117322"	393.926202	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+2Cl"	69.938804
"554694"	573.404602	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+2Cl"	69.938804
"1026775"	214.447802	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2Cl"	69.938804
"1249633"	437.875685	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Br"	78.918885
"1314270"	439.931672	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Cl+HCOOH"	80.974872
"1329580"	461.913629	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Cl+NaCOOH"	102.956829
"924646"	471.942386	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M-H+CF3COOH"	112.985586
"1297345"	507.919064	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Cl+CF3COOH"	148.962264
"1380975"	323.944124	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H-2H2O"	-35.012676
"1395191"	341.9541	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H-H2O"	-17.0027
"290504"	718.920876	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+H"	1.007276
"686206"	1077.877676	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+H"	1.007276
"1362555"	359.964076	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H"	1.007276
"135444"	359.964076	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+2H"	2.014552
"573911"	539.442476	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+2H"	2.014552
"1043804"	180.485676	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2H"	2.014552
"209521"	240.311809333333	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+3H"	3.021828
"653455"	359.964076	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+3H"	3.021828
"1167569"	120.659542666667	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+3H"	3.021828
"439362"	735.947423	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+NH4"	18.033823
"799503"	1094.904223	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+NH4"	18.033823
"1694012"	376.990623	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+NH4"	18.033823
"343747"	368.4773495	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+H+NH4"	19.041099
"732887"	547.9557495	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+H+NH4"	19.041099
"1487800"	188.9989495	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H+NH4"	19.041099
"403200"	740.902818	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+Na"	22.989218
"767842"	1099.859618	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+Na"	22.989218
"1615941"	381.946018	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Na"	22.989218
"325609"	370.955047	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+H+Na"	23.996494
"715844"	550.433447	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+H+Na"	23.996494
"1472218"	191.476647	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H+Na"	23.996494
"1065832"	127.986856666667	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2H+Na"	25.00377
"1270061"	391.990286	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+CH3OH+H"	33.033486
"392286"	756.876758	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+K"	38.963158
"753280"	1115.833558	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+K"	38.963158
"1554242"	397.919958	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+K"	38.963158
"312505"	378.942017	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+H+K"	39.970434
"703833"	558.420417	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+H+K"	39.970434
"1452912"	199.463617	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H+K"	39.970434
"245892"	759.947426	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+ACN+H"	42.033826
"1219695"	400.990626	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+ACN+H"	42.033826
"1207953"	200.998951	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+ACN+2H"	43.041102
"203018"	762.88476	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+2Na-H"	44.97116
"641496"	1121.84156	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+2Na-H"	44.97116
"1144268"	403.92796	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2Na-H"	44.97116
"186831"	381.946018	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+2Na"	45.978436
"624934"	561.424418	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+2Na"	45.978436
"1130262"	202.467618	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2Na"	45.978436
"1413748"	135.314170666667	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H+2Na"	46.985712
"1444440"	405.969546	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H+HCOOH"	47.012746
"232311"	386.97904	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+3H2O+2H"	56.04448
"1519280"	420.02159	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+IsoProp+H"	61.06479
"419697"	389.932988	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+Na+K"	61.952376
"779963"	569.411388	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+Na+K"	61.952376
"1671920"	210.454588	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Na+K"	61.952376
"258440"	781.929368	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+ACN+Na"	64.015768
"1238440"	422.972568	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+ACN+Na"	64.015768
"1716755"	422.996093	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+NH4+HCOOH"	64.039293
"1183203"	142.641484666667	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+3Na"	68.967654
"1651146"	427.951488	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Na+HCOOH"	68.994688
"169803"	794.83264	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+2K-H"	76.91904
"609365"	1153.78944	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+2K-H"	76.91904
"1097160"	435.87584	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2K-H"	76.91904
"155070"	397.919958	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"2M+2K"	77.926316
"588071"	577.398358	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"3M+2K"	77.926316
"1072585"	218.441558	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2K"	77.926316
"1105793"	437.890392	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2K+H"	78.933592
"1339259"	437.978007	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+DMSO+H"	79.021207
"1011434"	442.017176	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2ACN+H"	83.060376
"1529927"	443.010808	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+IsoProp+Na+H"	84.054008
"997468"	221.512226	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+2ACN+2H"	84.067652
"1590149"	443.925428	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+K+HCOOH"	84.968628
"1415808"	473.956938	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+H+CF3COOH"	115.000138
"1147919"	242.025501	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+3ACN+2H"	125.094202
"1697387"	490.983485	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+NH4+CF3COOH"	132.026685
"1645153"	495.93888	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+Na+CF3COOH"	136.98208
"1582991"	511.91282	"C07765"	"Methyclothiazide"	"C9H11Cl2N3O4S2"	"358.9568"	"M+K+CF3COOH"	152.95602
"806796"	438.9709	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M"	0
"983609"	419.95251	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-H2O-H"	-19.01839
"72951"	291.639990666667	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M-3H"	-3.021828
"511421"	437.963624	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M-3H"	-3.021828
"890314"	145.316357333333	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-3H"	-3.021828
"11076"	437.963624	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M-2H"	-2.014552
"453917"	657.449074	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M-2H"	-2.014552
"822968"	218.478174	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-2H"	-2.014552
"87333"	876.934524	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M-H"	-1.007276
"530174"	1315.905424	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M-H"	-1.007276
"905791"	437.963624	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-H"	-1.007276
"56889"	893.961071	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M-2H+NH4"	16.019271
"498635"	1332.931971	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M-2H+NH4"	16.019271
"868781"	454.990171	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-2H+NH4"	16.019271
"36682"	898.916466	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M-2H+Na"	20.974666
"477336"	1337.887366	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M-2H+Na"	20.974666
"852950"	459.945566	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-2H+Na"	20.974666
"1627950"	459.945566	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Na-2H"	20.974666
"100106"	455.951963	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M-H+Cl"	33.962126
"536387"	675.437413	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M-H+Cl"	33.962126
"928808"	236.466513	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-H+Cl"	33.962126
"275021"	912.911202	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+Cl"	34.969402
"668535"	1351.882102	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+Cl"	34.969402
"1274744"	473.940302	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Cl"	34.969402
"19122"	914.890406	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M-2H+K"	36.948606
"461965"	1353.861306	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M-2H+K"	36.948606
"833812"	475.919506	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-2H+K"	36.948606
"1557788"	475.919506	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+K-2H"	36.948606
"951143"	483.969094	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-H+HCOOH"	44.998194
"365350"	922.940001	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+HCOOH-H"	44.998201
"357982"	936.955651	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+Hac-H"	59.013851
"1503168"	497.984751	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Hac-H"	59.013851
"968525"	505.951051	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-H+NaCOOH"	66.980151
"110206"	473.940302	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+2Cl"	69.938804
"551524"	693.425752	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+2Cl"	69.938804
"1023604"	254.454852	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2Cl"	69.938804
"1245369"	517.889785	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Br"	78.918885
"1314380"	519.945772	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Cl+HCOOH"	80.974872
"1327502"	541.927729	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Cl+NaCOOH"	102.956829
"920746"	551.956486	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M-H+CF3COOH"	112.985586
"1300370"	587.933164	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Cl+CF3COOH"	148.962264
"1378897"	403.958224	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H-2H2O"	-35.012676
"1395301"	421.9682	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H-H2O"	-17.0027
"289521"	878.949076	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+H"	1.007276
"685223"	1317.919976	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+H"	1.007276
"1362665"	439.978176	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H"	1.007276
"134461"	439.978176	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+2H"	2.014552
"572928"	659.463626	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+2H"	2.014552
"1042821"	220.492726	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2H"	2.014552
"219108"	293.654542666667	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+3H"	3.021828
"653565"	439.978176	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+3H"	3.021828
"1167315"	147.330909333333	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+3H"	3.021828
"438621"	895.975623	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+NH4"	18.033823
"799243"	1334.946523	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+NH4"	18.033823
"1692296"	457.004723	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+NH4"	18.033823
"342760"	448.4914495	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+H+NH4"	19.041099
"734089"	667.9768995	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+H+NH4"	19.041099
"1489732"	229.0059995	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H+NH4"	19.041099
"404403"	900.931018	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+Na"	22.989218
"765400"	1339.901918	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+Na"	22.989218
"1613498"	461.960118	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Na"	22.989218
"326813"	450.969147	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+H+Na"	23.996494
"714860"	670.454597	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+H+Na"	23.996494
"1473054"	231.483697	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H+Na"	23.996494
"1065941"	154.658223333333	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2H+Na"	25.00377
"1268714"	472.004386	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+CH3OH+H"	33.033486
"391302"	916.904958	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+K"	38.963158
"752661"	1355.875858	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+K"	38.963158
"1554352"	477.934058	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+K"	38.963158
"312859"	458.956117	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+H+K"	39.970434
"705646"	678.441567	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+H+K"	39.970434
"1457395"	239.470667	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H+K"	39.970434
"246002"	919.975626	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+ACN+H"	42.033826
"1219804"	481.004726	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+ACN+H"	42.033826
"1207335"	241.006001	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+ACN+2H"	43.041102
"201670"	922.91296	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+2Na-H"	44.97116
"642211"	1361.88386	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+2Na-H"	44.97116
"1145834"	483.94206	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2Na-H"	44.97116
"185114"	461.960118	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+2Na"	45.978436
"625408"	681.445568	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+2Na"	45.978436
"1127453"	242.474668	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2Na"	45.978436
"1412803"	161.985537333333	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H+2Na"	46.985712
"1443457"	485.983646	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H+HCOOH"	47.012746
"232787"	466.99314	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+3H2O+2H"	56.04448
"1519756"	500.03569	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+IsoProp+H"	61.06479
"417257"	469.947088	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+Na+K"	61.952376
"778981"	689.432538	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+Na+K"	61.952376
"1675309"	250.461638	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Na+K"	61.952376
"257457"	941.957568	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+ACN+Na"	64.015768
"1234541"	502.986668	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+ACN+Na"	64.015768
"1717958"	503.010193	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+NH4+HCOOH"	64.039293
"1185499"	169.312851333333	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+3Na"	68.967654
"1651743"	507.965588	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Na+HCOOH"	68.994688
"158975"	954.86084	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+2K-H"	76.91904
"609474"	1393.83174	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+2K-H"	76.91904
"1097272"	515.88994	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2K-H"	76.91904
"150807"	477.934058	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"2M+2K"	77.926316
"583077"	697.419508	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"3M+2K"	77.926316
"1071233"	258.448608	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2K"	77.926316
"1104807"	517.904492	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2K+H"	78.933592
"1338275"	517.992107	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+DMSO+H"	79.021207
"1011909"	522.031276	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2ACN+H"	83.060376
"1530037"	523.024908	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+IsoProp+Na+H"	84.054008
"996485"	261.519276	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+2ACN+2H"	84.067652
"1589895"	523.939528	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+K+HCOOH"	84.968628
"1419928"	553.971038	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+H+CF3COOH"	115.000138
"1150215"	282.032551	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+3ACN+2H"	125.094202
"1697337"	570.997585	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+NH4+CF3COOH"	132.026685
"1645263"	575.95298	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+Na+CF3COOH"	136.98208
"1583101"	591.92692	"C07766"	"Polythiazide"	"C11H13ClF3N3O4S3"	"438.9709"	"M+K+CF3COOH"	152.95602
"806906"	378.9022	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M"	0
"983719"	359.88381	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-H2O-H"	-19.01839
"74884"	251.594190666667	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M-3H"	-3.021828
"515542"	377.894924	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M-3H"	-3.021828
"892611"	125.293457333333	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-3H"	-3.021828
"13739"	377.894924	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M-2H"	-2.014552
"453667"	567.346024	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M-2H"	-2.014552
"827452"	188.443824	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-2H"	-2.014552
"90724"	756.797124	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M-H"	-1.007276
"531379"	1135.699324	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M-H"	-1.007276
"907724"	377.894924	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-H"	-1.007276
"53719"	773.823671	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M-2H+NH4"	16.019271
"493279"	1152.725871	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M-2H+NH4"	16.019271
"873265"	394.921471	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-2H+NH4"	16.019271
"37886"	778.779066	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M-2H+Na"	20.974666
"479631"	1157.681266	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M-2H+Na"	20.974666
"856340"	399.876866	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-2H+Na"	20.974666
"1623687"	399.876866	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Na-2H"	20.974666
"99123"	395.883263	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M-H+Cl"	33.962126
"534795"	585.334363	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M-H+Cl"	33.962126
"930012"	206.432163	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-H+Cl"	33.962126
"269664"	792.773802	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+Cl"	34.969402
"664272"	1171.676002	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+Cl"	34.969402
"1274490"	413.871602	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Cl"	34.969402
"21419"	794.753006	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M-2H+K"	36.948606
"468636"	1173.655206	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M-2H+K"	36.948606
"833922"	415.850806	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-2H+K"	36.948606
"1557898"	415.850806	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+K-2H"	36.948606
"953440"	423.900394	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-H+HCOOH"	44.998194
"373114"	802.802601	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+HCOOH-H"	44.998201
"355538"	816.818251	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+Hac-H"	59.013851
"1504373"	437.916051	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Hac-H"	59.013851
"963164"	445.882351	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-H+NaCOOH"	66.980151
"112073"	413.871602	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+2Cl"	69.938804
"559288"	603.322702	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+2Cl"	69.938804
"1026994"	224.420502	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2Cl"	69.938804
"1242439"	457.821085	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Br"	78.918885
"1312301"	459.877072	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Cl+HCOOH"	80.974872
"1325425"	481.859029	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Cl+NaCOOH"	102.956829
"923043"	491.887786	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M-H+CF3COOH"	112.985586
"1297565"	527.864464	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Cl+CF3COOH"	148.962264
"1375728"	343.889524	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H-2H2O"	-35.012676
"1395655"	361.8995	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H-H2O"	-17.0027
"294005"	758.811676	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+H"	1.007276
"685333"	1137.713876	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+H"	1.007276
"1358400"	379.909476	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H"	1.007276
"125899"	379.909476	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+2H"	2.014552
"568296"	569.360576	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+2H"	2.014552
"1038555"	190.458376	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2H"	2.014552
"205729"	253.608742666667	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+3H"	3.021828
"652582"	379.909476	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+3H"	3.021828
"1165238"	127.308009333333	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+3H"	3.021828
"438000"	775.838223	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+NH4"	18.033823
"798260"	1154.740423	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+NH4"	18.033823
"1694960"	396.936023	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+NH4"	18.033823
"342872"	388.4227495	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+H+NH4"	19.041099
"736022"	577.8738495	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+H+NH4"	19.041099
"1490938"	198.9716495	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H+NH4"	19.041099
"406335"	780.793618	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+Na"	22.989218
"764414"	1159.695818	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+Na"	22.989218
"1614702"	401.891418	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Na"	22.989218
"327654"	390.900447	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+H+Na"	23.996494
"714970"	580.351547	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+H+Na"	23.996494
"1472071"	201.449347	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H+Na"	23.996494
"1065322"	134.635323333333	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2H+Na"	25.00377
"1272104"	411.935686	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+CH3OH+H"	33.033486
"392025"	796.767558	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+K"	38.963158
"753993"	1175.669758	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+K"	38.963158
"1554831"	417.865358	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+K"	38.963158
"308715"	398.887417	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+H+K"	39.970434
"704419"	588.338517	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+H+K"	39.970434
"1454226"	209.436317	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H+K"	39.970434
"246841"	799.838226	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+ACN+H"	42.033826
"1219550"	420.936026	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+ACN+H"	42.033826
"1207445"	210.971651	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+ACN+2H"	43.041102
"203362"	802.77556	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+2Na-H"	44.97116
"642803"	1181.67776	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+2Na-H"	44.97116
"1145340"	423.87336	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2Na-H"	44.97116
"185226"	401.891418	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+2Na"	45.978436
"625152"	591.342518	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+2Na"	45.978436
"1127202"	212.440318	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2Na"	45.978436
"1411820"	141.962637333333	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H+2Na"	46.985712
"1444296"	425.914946	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H+HCOOH"	47.012746
"230710"	406.92444	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+3H2O+2H"	56.04448
"1523269"	439.96699	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+IsoProp+H"	61.06479
"422834"	409.878388	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+Na+K"	61.952376
"782007"	599.329488	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+Na+K"	61.952376
"1676879"	220.427288	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Na+K"	61.952376
"255380"	821.820168	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+ACN+Na"	64.015768
"1235380"	442.917968	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+ACN+Na"	64.015768
"1718068"	442.941493	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+NH4+HCOOH"	64.039293
"1182329"	149.289951333333	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+3Na"	68.967654
"1651489"	447.896888	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Na+HCOOH"	68.994688
"159085"	834.72344	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+2K-H"	76.91904
"610678"	1213.62564	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+2K-H"	76.91904
"1098476"	455.82124	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2K-H"	76.91904
"150917"	417.865358	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"2M+2K"	77.926316
"585010"	607.316458	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"3M+2K"	77.926316
"1073166"	228.414258	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2K"	77.926316
"1103823"	457.835792	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2K+H"	78.933592
"1338750"	457.923407	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+DMSO+H"	79.021207
"1014206"	461.962576	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2ACN+H"	83.060376
"1530147"	462.956208	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+IsoProp+Na+H"	84.054008
"995502"	231.484926	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+2ACN+2H"	84.067652
"1593285"	463.870828	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+K+HCOOH"	84.968628
"1420038"	493.902338	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+H+CF3COOH"	115.000138
"1151420"	251.998201	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+3ACN+2H"	125.094202
"1702067"	510.928885	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+NH4+CF3COOH"	132.026685
"1645373"	515.88428	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+Na+CF3COOH"	136.98208
"1583211"	531.85822	"C07767"	"Trichlormethiazide"	"C8H8Cl3N3O4S2"	"378.9022"	"M+K+CF3COOH"	152.95602
"803736"	381.1608	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M"	0
"983829"	362.14241	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-H2O-H"	-19.01839
"76089"	253.099924	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M-3H"	-3.021828
"515651"	380.153524	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M-3H"	-3.021828
"891996"	126.046324	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-3H"	-3.021828
"10204"	380.153524	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M-2H"	-2.014552
"454629"	570.733924	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M-2H"	-2.014552
"831571"	189.573124	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-2H"	-2.014552
"93509"	761.314324	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M-H"	-1.007276
"533202"	1142.475124	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M-H"	-1.007276
"909291"	380.153524	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-H"	-1.007276
"59298"	778.340871	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M-2H+NH4"	16.019271
"495575"	1159.501671	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M-2H+NH4"	16.019271
"874468"	397.180071	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-2H+NH4"	16.019271
"41276"	783.296266	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M-2H+Na"	20.974666
"481929"	1164.457066	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M-2H+Na"	20.974666
"860826"	402.135466	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-2H+Na"	20.974666
"1627079"	402.135466	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Na-2H"	20.974666
"103608"	398.141863	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M-H+Cl"	33.962126
"540981"	588.722263	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M-H+Cl"	33.962126
"933403"	207.561463	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-H+Cl"	33.962126
"274148"	797.291002	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+Cl"	34.969402
"673131"	1178.451802	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+Cl"	34.969402
"1286629"	416.130202	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Cl"	34.969402
"21529"	799.270206	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M-2H+K"	36.948606
"467653"	1180.431006	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M-2H+K"	36.948606
"841081"	418.109406	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-2H+K"	36.948606
"1564569"	418.109406	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+K-2H"	36.948606
"957560"	426.158994	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-H+HCOOH"	44.998194
"372859"	807.319801	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+HCOOH-H"	44.998201
"354554"	821.335451	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+Hac-H"	59.013851
"1505211"	440.174651	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Hac-H"	59.013851
"968741"	448.140951	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-H+NaCOOH"	66.980151
"111455"	416.130202	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+2Cl"	69.938804
"559398"	606.710602	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+2Cl"	69.938804
"1027104"	225.549802	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2Cl"	69.938804
"1245587"	460.079685	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Br"	78.918885
"1314598"	462.135672	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Cl+HCOOH"	80.974872
"1331002"	484.117629	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Cl+NaCOOH"	102.956829
"924248"	494.146386	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M-H+CF3COOH"	112.985586
"1301686"	530.123064	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Cl+CF3COOH"	148.962264
"1381190"	346.148124	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H-2H2O"	-35.012676
"1396982"	364.1581	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H-H2O"	-17.0027
"296673"	763.328876	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+H"	1.007276
"685443"	1144.489676	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+H"	1.007276
"1361791"	382.168076	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H"	1.007276
"130669"	382.168076	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+2H"	2.014552
"568771"	572.748476	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+2H"	2.014552
"1039029"	191.587676	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2H"	2.014552
"207662"	255.114476	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+3H"	3.021828
"654879"	382.168076	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+3H"	3.021828
"1169723"	128.060876	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+3H"	3.021828
"439961"	780.355423	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+NH4"	18.033823
"801247"	1161.516223	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+NH4"	18.033823
"1695435"	399.194623	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+NH4"	18.033823
"343710"	390.6813495	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+H+NH4"	19.041099
"736865"	581.2617495	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+H+NH4"	19.041099
"1491046"	200.1009495	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H+NH4"	19.041099
"407173"	785.310818	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+Na"	22.989218
"766711"	1166.471618	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+Na"	22.989218
"1616634"	404.150018	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Na"	22.989218
"328492"	393.159047	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+H+Na"	23.996494
"717268"	583.739447	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+H+Na"	23.996494
"1472180"	202.578647	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H+Na"	23.996494
"1065793"	135.38819	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2H+Na"	25.00377
"1272258"	414.194286	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+CH3OH+H"	33.033486
"392127"	801.284758	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+K"	38.963158
"753941"	1182.445558	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+K"	38.963158
"1555227"	420.123958	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+K"	38.963158
"309188"	401.146017	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+H+K"	39.970434
"703799"	591.726417	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+H+K"	39.970434
"1455430"	210.565617	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H+K"	39.970434
"241847"	804.355426	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+ACN+H"	42.033826
"1216014"	423.194626	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+ACN+H"	42.033826
"1202814"	212.100951	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+ACN+2H"	43.041102
"202263"	807.29276	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+2Na-H"	44.97116
"642549"	1188.45356	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+2Na-H"	44.97116
"1144599"	426.13196	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2Na-H"	44.97116
"186066"	404.150018	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+2Na"	45.978436
"625262"	594.730418	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+2Na"	45.978436
"1129134"	213.569618	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2Na"	45.978436
"1412661"	142.715504	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H+2Na"	46.985712
"1443314"	428.173546	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H+HCOOH"	47.012746
"234830"	409.18304	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+3H2O+2H"	56.04448
"1523585"	442.22559	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+IsoProp+H"	61.06479
"422219"	412.136988	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+Na+K"	61.952376
"784306"	602.717388	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+Na+K"	61.952376
"1679909"	221.556588	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Na+K"	61.952376
"259865"	826.337368	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+ACN+Na"	64.015768
"1231480"	445.176568	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+ACN+Na"	64.015768
"1721093"	445.200093	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+NH4+HCOOH"	64.039293
"1186811"	150.042818	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+3Na"	68.967654
"1654516"	450.155488	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Na+HCOOH"	68.994688
"159193"	839.24064	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+2K-H"	76.91904
"610787"	1220.40144	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+2K-H"	76.91904
"1098221"	458.07984	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2K-H"	76.91904
"155768"	420.123958	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"2M+2K"	77.926316
"584390"	610.704358	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"3M+2K"	77.926316
"1076193"	229.543558	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2K"	77.926316
"1105027"	460.094392	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2K+H"	78.933592
"1343600"	460.182007	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+DMSO+H"	79.021207
"1012130"	464.221176	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2ACN+H"	83.060376
"1533538"	465.214808	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+IsoProp+Na+H"	84.054008
"997799"	232.614226	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+2ACN+2H"	84.067652
"1594488"	466.129428	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+K+HCOOH"	84.968628
"1423429"	496.160938	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+H+CF3COOH"	115.000138
"1153719"	253.127501	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+3ACN+2H"	125.094202
"1698897"	513.187485	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+NH4+CF3COOH"	132.026685
"1642203"	518.14288	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+Na+CF3COOH"	136.98208
"1576760"	534.11682	"C07768"	"Azelastine"	"C22H24ClN3O"	"381.1608"	"M+K+CF3COOH"	152.95602
"803846"	233.0358	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M"	0
"983939"	214.01741	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-H2O-H"	-19.01839
"76928"	154.349924	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M-3H"	-3.021828
"515398"	232.028524	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M-3H"	-3.021828
"892107"	76.671324	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-3H"	-3.021828
"12500"	232.028524	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M-2H"	-2.014552
"454979"	348.546424	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M-2H"	-2.014552
"829860"	115.510624	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-2H"	-2.014552
"93011"	465.064324	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M-H"	-1.007276
"533668"	698.100124	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M-H"	-1.007276
"908308"	232.028524	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-H"	-1.007276
"59408"	482.090871	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M-2H+NH4"	16.019271
"495686"	715.126671	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M-2H+NH4"	16.019271
"873485"	249.055071	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-2H+NH4"	16.019271
"40294"	487.046266	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M-2H+Na"	20.974666
"482039"	720.082066	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M-2H+Na"	20.974666
"859842"	254.010466	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-2H+Na"	20.974666
"1625002"	254.010466	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Na-2H"	20.974666
"100438"	250.016863	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M-H+Cl"	33.962126
"537809"	366.534763	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M-H+Cl"	33.962126
"932420"	133.498963	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-H+Cl"	33.962126
"274258"	501.041002	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+Cl"	34.969402
"667774"	734.076802	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+Cl"	34.969402
"1286739"	268.005202	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Cl"	34.969402
"18360"	503.020206	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M-2H+K"	36.948606
"467763"	736.056006	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M-2H+K"	36.948606
"843379"	269.984406	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-2H+K"	36.948606
"1561400"	269.984406	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+K-2H"	36.948606
"953658"	278.033994	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-H+HCOOH"	44.998194
"375885"	511.069801	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+HCOOH-H"	44.998201
"358674"	525.085451	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+Hac-H"	59.013851
"1507507"	292.049651	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Hac-H"	59.013851
"968852"	300.015951	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-H+NaCOOH"	66.980151
"115575"	268.005202	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+2Cl"	69.938804
"557321"	384.523102	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+2Cl"	69.938804
"1027214"	151.487302	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2Cl"	69.938804
"1243511"	311.954685	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Br"	78.918885
"1313616"	314.010672	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Cl+HCOOH"	80.974872
"1331114"	335.992629	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Cl+NaCOOH"	102.956829
"923268"	346.021386	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M-H+CF3COOH"	112.985586
"1300705"	381.998064	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Cl+CF3COOH"	148.962264
"1379965"	198.023124	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H-2H2O"	-35.012676
"1395636"	216.0331	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H-H2O"	-17.0027
"296784"	467.078876	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+H"	1.007276
"685553"	700.114676	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+H"	1.007276
"1362994"	234.043076	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H"	1.007276
"127863"	234.043076	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+2H"	2.014552
"568881"	350.560976	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+2H"	2.014552
"1038410"	117.525176	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2H"	2.014552
"208865"	156.364476	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+3H"	3.021828
"654261"	234.043076	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+3H"	3.021828
"1169833"	78.685876	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+3H"	3.021828
"438212"	484.105423	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+NH4"	18.033823
"798480"	717.141223	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+NH4"	18.033823
"1692623"	251.069623	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+NH4"	18.033823
"343087"	242.5563495	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+H+NH4"	19.041099
"736242"	359.0742495	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+H+NH4"	19.041099
"1490060"	126.0384495	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H+NH4"	19.041099
"403637"	489.060818	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+Na"	22.989218
"764633"	722.096618	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+Na"	22.989218
"1616011"	256.025018	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Na"	22.989218
"327141"	245.034047	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+H+Na"	23.996494
"716285"	361.551947	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+H+Na"	23.996494
"1470103"	128.516147	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H+Na"	23.996494
"1065537"	86.01319	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2H+Na"	25.00377
"1272745"	266.069286	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+CH3OH+H"	33.033486
"392237"	505.034758	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+K"	38.963158
"754133"	738.070558	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+K"	38.963158
"1555336"	271.998958	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+K"	38.963158
"309298"	253.021017	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+H+K"	39.970434
"702814"	369.538917	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+H+K"	39.970434
"1455540"	136.503117	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H+K"	39.970434
"241957"	508.105426	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+ACN+H"	42.033826
"1217946"	275.069626	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+ACN+H"	42.033826
"1201831"	138.038451	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+ACN+2H"	43.041102
"203948"	511.04276	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+2Na-H"	44.97116
"643835"	744.07856	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+2Na-H"	44.97116
"1146368"	278.00696	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2Na-H"	44.97116
"186540"	256.025018	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+2Na"	45.978436
"626466"	372.542918	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+2Na"	45.978436
"1128515"	139.507118	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2Na"	45.978436
"1412771"	93.340504	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H+2Na"	46.985712
"1443788"	280.048546	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H+HCOOH"	47.012746
"234210"	261.05804	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+3H2O+2H"	56.04448
"1521912"	294.10059	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+IsoProp+H"	61.06479
"420504"	264.011988	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+Na+K"	61.952376
"780768"	380.529888	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+Na+K"	61.952376
"1675639"	147.494088	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Na+K"	61.952376
"258882"	530.087368	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+ACN+Na"	64.015768
"1230497"	297.051568	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+ACN+Na"	64.015768
"1717195"	297.075093	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+NH4+HCOOH"	64.039293
"1183642"	100.667818	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+3Na"	68.967654
"1654626"	302.030488	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Na+HCOOH"	68.994688
"158208"	542.99064	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+2K-H"	76.91904
"609804"	776.02644	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+2K-H"	76.91904
"1099063"	309.95484	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2K-H"	76.91904
"156608"	271.998958	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"2M+2K"	77.926316
"585230"	388.516858	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"3M+2K"	77.926316
"1076303"	155.481058	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2K"	77.926316
"1105137"	311.969392	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2K+H"	78.933592
"1340430"	312.057007	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+DMSO+H"	79.021207
"1012240"	316.096176	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2ACN+H"	83.060376
"1532555"	317.089808	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+IsoProp+Na+H"	84.054008
"997909"	158.551726	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+2ACN+2H"	84.067652
"1593505"	318.004428	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+K+HCOOH"	84.968628
"1423539"	348.035938	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+H+CF3COOH"	115.000138
"1153829"	179.065001	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+3ACN+2H"	125.094202
"1700100"	365.062485	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+NH4+CF3COOH"	132.026685
"1642313"	370.01788	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+Na+CF3COOH"	136.98208
"1576870"	385.99182	"C07770"	"Sulbactam"	"C8H11NO5S"	"233.0358"	"M+K+CF3COOH"	152.95602
"803956"	300.0528	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M"	0
"980769"	281.03441	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-H2O-H"	-19.01839
"76918"	199.027924	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M-3H"	-3.021828
"516236"	299.045524	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M-3H"	-3.021828
"894039"	99.010324	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-3H"	-3.021828
"14436"	299.045524	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M-2H"	-2.014552
"454728"	449.071924	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M-2H"	-2.014552
"830336"	149.019124	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-2H"	-2.014552
"91785"	599.098324	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M-H"	-1.007276
"530980"	899.151124	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M-H"	-1.007276
"908418"	299.045524	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-H"	-1.007276
"58424"	616.124871	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M-2H+NH4"	16.019271
"496891"	916.177671	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M-2H+NH4"	16.019271
"871411"	316.072071	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-2H+NH4"	16.019271
"40405"	621.080266	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M-2H+Na"	20.974666
"478871"	921.133066	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M-2H+Na"	20.974666
"856673"	321.027466	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-2H+Na"	20.974666
"1626204"	321.027466	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Na-2H"	20.974666
"99455"	317.033863	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M-H+Cl"	33.962126
"542296"	467.060263	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M-H+Cl"	33.962126
"932530"	167.007463	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-H+Cl"	33.962126
"272181"	635.075002	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+Cl"	34.969402
"667884"	935.127802	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+Cl"	34.969402
"1287578"	335.022202	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Cl"	34.969402
"18470"	637.054206	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M-2H+K"	36.948606
"464593"	937.107006	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M-2H+K"	36.948606
"843489"	337.001406	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-2H+K"	36.948606
"1561510"	337.001406	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+K-2H"	36.948606
"954861"	345.050994	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-H+HCOOH"	44.998194
"375995"	645.103801	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+HCOOH-H"	44.998201
"358784"	659.119451	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+Hac-H"	59.013851
"1506524"	359.066651	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Hac-H"	59.013851
"972972"	367.032951	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-H+NaCOOH"	66.980151
"111307"	335.022202	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+2Cl"	69.938804
"553058"	485.048602	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+2Cl"	69.938804
"1022951"	184.995802	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2Cl"	69.938804
"1249089"	378.971685	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Br"	78.918885
"1311539"	381.027672	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Cl+HCOOH"	80.974872
"1330130"	403.009629	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Cl+NaCOOH"	102.956829
"925200"	413.038386	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M-H+CF3COOH"	112.985586
"1301179"	449.015064	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Cl+CF3COOH"	148.962264
"1380803"	265.040124	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H-2H2O"	-35.012676
"1396110"	283.0501	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H-H2O"	-17.0027
"297258"	601.112876	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+H"	1.007276
"686756"	901.165676	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+H"	1.007276
"1356542"	301.060076	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H"	1.007276
"127973"	301.060076	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+2H"	2.014552
"568627"	451.086476	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+2H"	2.014552
"1038520"	151.033676	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2H"	2.014552
"208975"	201.042476	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+3H"	3.021828
"652912"	301.060076	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+3H"	3.021828
"1168849"	101.024876	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+3H"	3.021828
"431031"	618.139423	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+NH4"	18.033823
"794216"	918.192223	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+NH4"	18.033823
"1692369"	318.086623	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+NH4"	18.033823
"342105"	309.5733495	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+H+NH4"	19.041099
"736719"	459.5997495	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+H+NH4"	19.041099
"1491144"	159.5469495	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H+NH4"	19.041099
"401561"	623.094818	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+Na"	22.989218
"763649"	923.147618	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+Na"	22.989218
"1612841"	323.042018	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Na"	22.989218
"322877"	312.051047	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+H+Na"	23.996494
"717488"	462.077447	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+H+Na"	23.996494
"1468026"	162.024647	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H+Na"	23.996494
"1062731"	108.35219	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2H+Na"	25.00377
"1265140"	333.086286	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+CH3OH+H"	33.033486
"392103"	639.068758	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+K"	38.963158
"753831"	939.121558	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+K"	38.963158
"1555279"	339.015958	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+K"	38.963158
"308315"	320.038017	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+H+K"	39.970434
"702924"	470.064417	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+H+K"	39.970434
"1455651"	170.011617	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H+K"	39.970434
"243161"	642.139426	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+ACN+H"	42.033826
"1216964"	342.086626	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+ACN+H"	42.033826
"1200848"	171.546951	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+ACN+2H"	43.041102
"202119"	645.07676	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+2Na-H"	44.97116
"643134"	945.12956	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+2Na-H"	44.97116
"1144086"	345.02396	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2Na-H"	44.97116
"185919"	323.042018	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+2Na"	45.978436
"626209"	473.068418	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+2Na"	45.978436
"1129719"	173.015618	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2Na"	45.978436
"1413247"	115.679504	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H+2Na"	46.985712
"1445117"	347.065546	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H+HCOOH"	47.012746
"234935"	328.07504	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+3H2O+2H"	56.04448
"1521657"	361.11759	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+IsoProp+H"	61.06479
"421344"	331.028988	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+Na+K"	61.952376
"782338"	481.055388	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+Na+K"	61.952376
"1677573"	181.002588	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Na+K"	61.952376
"261179"	664.121368	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+ACN+Na"	64.015768
"1232795"	364.068568	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+ACN+Na"	64.015768
"1718399"	364.092093	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+NH4+HCOOH"	64.039293
"1183752"	123.006818	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+3Na"	68.967654
"1654737"	369.047488	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Na+HCOOH"	68.994688
"159777"	677.02464	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+2K-H"	76.91904
"609550"	977.07744	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+2K-H"	76.91904
"1099783"	376.97184	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2K-H"	76.91904
"156720"	339.015958	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"2M+2K"	77.926316
"589712"	489.042358	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"3M+2K"	77.926316
"1076413"	188.989558	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2K"	77.926316
"1107434"	378.986392	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2K+H"	78.933592
"1343820"	379.074007	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+DMSO+H"	79.021207
"1012350"	383.113176	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2ACN+H"	83.060376
"1532665"	384.106808	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+IsoProp+Na+H"	84.054008
"998019"	192.060226	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+2ACN+2H"	84.067652
"1592523"	385.021428	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+K+HCOOH"	84.968628
"1423650"	415.052938	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+H+CF3COOH"	115.000138
"1156124"	212.573501	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+3ACN+2H"	125.094202
"1701305"	432.079485	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+NH4+CF3COOH"	132.026685
"1645703"	437.03488	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+Na+CF3COOH"	136.98208
"1576980"	453.00882	"C07771"	"Tazobactam"	"C10H12N4O5S"	"300.0528"	"M+K+CF3COOH"	152.95602
"813907"	536.2685	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M"	0
"980879"	517.25011	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-H2O-H"	-19.01839
"77271"	356.505057333333	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M-3H"	-3.021828
"515254"	535.261224	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M-3H"	-3.021828
"894755"	177.748890666667	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-3H"	-3.021828
"14909"	535.261224	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M-2H"	-2.014552
"453744"	803.395474	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M-2H"	-2.014552
"826800"	267.126974	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-2H"	-2.014552
"92258"	1071.529724	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M-H"	-1.007276
"530727"	1607.798224	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M-H"	-1.007276
"907434"	535.261224	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-H"	-1.007276
"57442"	1088.556271	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M-2H+NH4"	16.019271
"499188"	1624.824771	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M-2H+NH4"	16.019271
"870428"	552.287771	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-2H+NH4"	16.019271
"37235"	1093.511666	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M-2H+Na"	20.974666
"477888"	1629.780166	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M-2H+Na"	20.974666
"853503"	557.243166	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-2H+Na"	20.974666
"1624128"	557.243166	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Na-2H"	20.974666
"97378"	553.249563	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M-H+Cl"	33.962126
"534994"	821.383813	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M-H+Cl"	33.962126
"929360"	285.115313	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-H+Cl"	33.962126
"271198"	1107.506402	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+Cl"	34.969402
"671274"	1643.774902	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+Cl"	34.969402
"1278211"	571.237902	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Cl"	34.969402
"18580"	1109.485606	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M-2H+K"	36.948606
"464702"	1645.754106	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M-2H+K"	36.948606
"841412"	573.217106	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-2H+K"	36.948606
"1560527"	573.217106	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+K-2H"	36.948606
"953876"	581.266694	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-H+HCOOH"	44.998194
"376105"	1117.535201	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+HCOOH-H"	44.998201
"357801"	1131.550851	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+Hac-H"	59.013851
"1506634"	595.282351	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Hac-H"	59.013851
"973691"	603.248651	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-H+NaCOOH"	66.980151
"112148"	571.237902	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+2Cl"	69.938804
"557543"	839.372152	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+2Cl"	69.938804
"1026342"	303.103652	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2Cl"	69.938804
"1249199"	615.187385	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Br"	78.918885
"1312742"	617.243372	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Cl+HCOOH"	80.974872
"1330240"	639.225329	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Cl+NaCOOH"	102.956829
"924944"	649.254086	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M-H+CF3COOH"	112.985586
"1302382"	685.230764	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Cl+CF3COOH"	148.962264
"1381159"	501.255824	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H-2H2O"	-35.012676
"1396948"	519.2658	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H-H2O"	-17.0027
"297006"	1073.544276	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+H"	1.007276
"686866"	1609.812776	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+H"	1.007276
"1358839"	537.275776	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H"	1.007276
"133916"	537.275776	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+2H"	2.014552
"571290"	805.410026	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+2H"	2.014552
"1038630"	269.141526	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2H"	2.014552
"209085"	358.519609333333	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+3H"	3.021828
"654115"	537.275776	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+3H"	3.021828
"1170052"	179.763442666667	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+3H"	3.021828
"431138"	1090.570823	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+NH4"	18.033823
"794326"	1626.839323	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+NH4"	18.033823
"1691751"	554.302323	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+NH4"	18.033823
"341852"	545.7890495	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+H+NH4"	19.041099
"735005"	813.9232995	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+H+NH4"	19.041099
"1490283"	277.6547995	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H+NH4"	19.041099
"404587"	1095.526218	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+Na"	22.989218
"760479"	1631.794718	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+Na"	22.989218
"1614044"	559.257718	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Na"	22.989218
"321893"	548.266747	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+H+Na"	23.996494
"717598"	816.400997	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+H+Na"	23.996494
"1469230"	280.132497	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H+Na"	23.996494
"1063569"	187.090756666667	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2H+Na"	25.00377
"1265250"	569.301986	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+CH3OH+H"	33.033486
"391240"	1111.500158	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+K"	38.963158
"750290"	1647.768658	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+K"	38.963158
"1554172"	575.231658	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+K"	38.963158
"308425"	556.253717	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+H+K"	39.970434
"700848"	824.387967	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+H+K"	39.970434
"1452480"	288.119467	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H+K"	39.970434
"242178"	1114.570826	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+ACN+H"	42.033826
"1217074"	578.302326	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+ACN+H"	42.033826
"1200958"	289.654801	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+ACN+2H"	43.041102
"200035"	1117.50816	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+2Na-H"	44.97116
"643244"	1653.77666	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+2Na-H"	44.97116
"1143468"	581.23966	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2Na-H"	44.97116
"184206"	559.257718	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+2Na"	45.978436
"624861"	827.391968	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+2Na"	45.978436
"1129465"	291.123468	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2Na"	45.978436
"1411894"	194.418070666667	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H+2Na"	46.985712
"1444374"	583.281246	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H+HCOOH"	47.012746
"231515"	564.29074	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+3H2O+2H"	56.04448
"1521401"	597.33329	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+IsoProp+H"	61.06479
"422911"	567.244688	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+Na+K"	61.952376
"781717"	835.378938	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+Na+K"	61.952376
"1675859"	299.110438	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Na+K"	61.952376
"264936"	1136.552768	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+ACN+Na"	64.015768
"1231812"	600.284268	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+ACN+Na"	64.015768
"1721790"	600.307793	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+NH4+HCOOH"	64.039293
"1188238"	201.745384666667	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+3Na"	68.967654
"1653753"	605.263188	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Na+HCOOH"	68.994688
"158794"	1149.45604	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+2K-H"	76.91904
"608931"	1685.72454	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+2K-H"	76.91904
"1099815"	613.18754	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2K-H"	76.91904
"156709"	575.231658	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"2M+2K"	77.926316
"588729"	843.365908	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"3M+2K"	77.926316
"1076523"	307.097408	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2K"	77.926316
"1107543"	615.202092	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2K+H"	78.933592
"1341744"	615.289707	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+DMSO+H"	79.021207
"1012461"	619.328876	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2ACN+H"	83.060376
"1538242"	620.322508	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+IsoProp+Na+H"	84.054008
"1001411"	310.168076	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+2ACN+2H"	84.067652
"1595913"	621.237128	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+K+HCOOH"	84.968628
"1423759"	651.268638	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+H+CF3COOH"	115.000138
"1160609"	330.681351	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+3ACN+2H"	125.094202
"1711257"	668.295185	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+NH4+CF3COOH"	132.026685
"1645813"	673.25058	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+Na+CF3COOH"	136.98208
"1577090"	689.22452	"C07773"	"Ambenonium"	"C28H42Cl2N4O2"	"536.2685"	"M+K+CF3COOH"	152.95602
"804176"	290.1783	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M"	0
"980989"	271.15991	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-H2O-H"	-19.01839
"76891"	192.444924	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M-3H"	-3.021828
"514271"	289.171024	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M-3H"	-3.021828
"890977"	95.718824	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-3H"	-3.021828
"13926"	289.171024	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M-2H"	-2.014552
"453487"	434.260174	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M-2H"	-2.014552
"824724"	144.081874	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-2H"	-2.014552
"86900"	579.349324	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M-H"	-1.007276
"529742"	869.527624	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M-H"	-1.007276
"903171"	289.171024	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-H"	-1.007276
"55366"	596.375871	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M-2H+NH4"	16.019271
"492736"	886.554171	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M-2H+NH4"	16.019271
"869444"	306.197571	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-2H+NH4"	16.019271
"36251"	601.331266	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M-2H+Na"	20.974666
"474716"	891.509566	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M-2H+Na"	20.974666
"853609"	311.152966	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-2H+Na"	20.974666
"1623142"	311.152966	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Na-2H"	20.974666
"100765"	307.159363	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M-H+Cl"	33.962126
"534423"	452.248513	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M-H+Cl"	33.962126
"927397"	162.070213	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-H+Cl"	33.962126
"267774"	615.326002	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+Cl"	34.969402
"660441"	905.504302	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+Cl"	34.969402
"1272843"	325.147702	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Cl"	34.969402
"24158"	617.305206	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M-2H+K"	36.948606
"455748"	907.483506	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M-2H+K"	36.948606
"833254"	327.126906	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-2H+K"	36.948606
"1560637"	327.126906	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+K-2H"	36.948606
"944266"	335.176494	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-H+HCOOH"	44.998194
"376215"	625.354801	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+HCOOH-H"	44.998201
"357911"	639.370451	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+Hac-H"	59.013851
"1505651"	349.192151	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Hac-H"	59.013851
"972098"	357.158451	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-H+NaCOOH"	66.980151
"112620"	325.147702	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+2Cl"	69.938804
"550724"	470.236852	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+2Cl"	69.938804
"1022804"	180.058552	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2Cl"	69.938804
"1247123"	369.097185	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Br"	78.918885
"1309572"	371.153172	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Cl+HCOOH"	80.974872
"1328164"	393.135129	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Cl+NaCOOH"	102.956829
"923595"	403.163886	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M-H+CF3COOH"	112.985586
"1301397"	439.140564	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Cl+CF3COOH"	148.962264
"1382198"	255.165624	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H-2H2O"	-35.012676
"1397058"	273.1756	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H-H2O"	-17.0027
"297474"	581.363876	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+H"	1.007276
"686976"	871.542176	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+H"	1.007276
"1353482"	291.185576	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H"	1.007276
"134026"	291.185576	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+2H"	2.014552
"571400"	436.274726	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+2H"	2.014552
"1039469"	146.096426	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2H"	2.014552
"209195"	194.459476	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+3H"	3.021828
"647663"	291.185576	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+3H"	3.021828
"1166514"	97.733376	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+3H"	3.021828
"431248"	598.390423	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+NH4"	18.033823
"794436"	888.568723	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+NH4"	18.033823
"1690768"	308.212123	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+NH4"	18.033823
"341962"	299.6988495	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+H+NH4"	19.041099
"735115"	444.7879995	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+H+NH4"	19.041099
"1490393"	154.6096995	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H+NH4"	19.041099
"404697"	603.345818	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+Na"	22.989218
"760589"	893.524118	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+Na"	22.989218
"1614154"	313.167518	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Na"	22.989218
"322003"	302.176547	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+H+Na"	23.996494
"717344"	447.265697	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+H+Na"	23.996494
"1471526"	157.087397	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H+Na"	23.996494
"1063679"	105.06069	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2H+Na"	25.00377
"1265360"	323.211786	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+CH3OH+H"	33.033486
"391228"	619.319758	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+K"	38.963158
"750400"	909.498058	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+K"	38.963158
"1552458"	329.141458	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+K"	38.963158
"305255"	310.163517	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+H+K"	39.970434
"700958"	455.252667	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+H+K"	39.970434
"1452590"	165.074367	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H+K"	39.970434
"240101"	622.390426	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+ACN+H"	42.033826
"1216091"	332.212126	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+ACN+H"	42.033826
"1202161"	166.609701	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+ACN+2H"	43.041102
"199414"	625.32776	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+2Na-H"	44.97116
"641166"	915.50606	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+2Na-H"	44.97116
"1141391"	335.14946	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2Na-H"	44.97116
"182494"	313.167518	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+2Na"	45.978436
"624242"	458.256668	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+2Na"	45.978436
"1127021"	168.078368	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2Na"	45.978436
"1410909"	112.388004	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H+2Na"	46.985712
"1439378"	337.191046	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H+HCOOH"	47.012746
"227614"	318.20054	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+3H2O+2H"	56.04448
"1517863"	351.24309	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+IsoProp+H"	61.06479
"419375"	321.154488	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+Na+K"	61.952376
"779638"	466.243638	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+Na+K"	61.952376
"1669408"	176.065338	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Na+K"	61.952376
"258118"	644.372368	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+ACN+Na"	64.015768
"1231922"	354.194068	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+ACN+Na"	64.015768
"1721900"	354.217593	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+NH4+HCOOH"	64.039293
"1186161"	119.715318	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+3Na"	68.967654
"1650622"	359.172988	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Na+HCOOH"	68.994688
"159633"	657.27564	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+2K-H"	76.91904
"609041"	947.45394	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+2K-H"	76.91904
"1099151"	367.09734	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2K-H"	76.91904
"155476"	329.141458	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"2M+2K"	77.926316
"587746"	474.230608	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"3M+2K"	77.926316
"1073353"	184.052308	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2K"	77.926316
"1103280"	369.111892	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2K+H"	78.933592
"1341854"	369.199507	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+DMSO+H"	79.021207
"1009655"	373.238676	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2ACN+H"	83.060376
"1535072"	374.232308	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+IsoProp+Na+H"	84.054008
"1001521"	187.122976	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+2ACN+2H"	84.067652
"1596023"	375.146928	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+K+HCOOH"	84.968628
"1421683"	405.178438	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+H+CF3COOH"	115.000138
"1160719"	207.636251	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+3ACN+2H"	125.094202
"1709180"	422.204985	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+NH4+CF3COOH"	132.026685
"1642643"	427.16038	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+Na+CF3COOH"	136.98208
"1573920"	443.13432	"C07774"	"Azatadine"	"C20H22N2"	"290.1783"	"M+K+CF3COOH"	152.95602
"804286"	432.2332	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M"	0
"981099"	413.21481	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-H2O-H"	-19.01839
"77933"	287.148190666667	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M-3H"	-3.021828
"516203"	431.225924	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M-3H"	-3.021828
"891087"	143.070457333333	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-3H"	-3.021828
"14886"	431.225924	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M-2H"	-2.014552
"453964"	647.342524	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M-2H"	-2.014552
"825927"	215.109324	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-2H"	-2.014552
"89197"	863.459124	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M-H"	-1.007276
"531918"	1295.692324	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M-H"	-1.007276
"905468"	431.225924	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-H"	-1.007276
"54382"	880.485671	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M-2H+NH4"	16.019271
"491753"	1312.718871	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M-2H+NH4"	16.019271
"868459"	448.252471	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-2H+NH4"	16.019271
"37454"	885.441066	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M-2H+Na"	20.974666
"474826"	1317.674266	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M-2H+Na"	20.974666
"858092"	453.207866	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-2H+Na"	20.974666
"1628719"	453.207866	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Na-2H"	20.974666
"97595"	449.214263	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M-H+Cl"	33.962126
"535087"	665.330863	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M-H+Cl"	33.962126
"928356"	233.097663	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-H+Cl"	33.962126
"268132"	899.435802	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+Cl"	34.969402
"662738"	1331.669002	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+Cl"	34.969402
"1273443"	467.202602	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Cl"	34.969402
"24268"	901.415006	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M-2H+K"	36.948606
"457268"	1333.648206	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M-2H+K"	36.948606
"833486"	469.181806	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-2H+K"	36.948606
"1561840"	469.181806	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+K-2H"	36.948606
"945348"	477.231394	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-H+HCOOH"	44.998194
"376083"	909.464601	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+HCOOH-H"	44.998201
"358264"	923.480251	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+Hac-H"	59.013851
"1502843"	491.247051	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Hac-H"	59.013851
"973992"	499.213351	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-H+NaCOOH"	66.980151
"113095"	467.202602	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+2Cl"	69.938804
"552658"	683.319202	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+2Cl"	69.938804
"1023645"	251.086002	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2Cl"	69.938804
"1251608"	511.152085	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Br"	78.918885
"1309682"	513.208072	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Cl+HCOOH"	80.974872
"1325354"	535.190029	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Cl+NaCOOH"	102.956829
"926954"	545.218786	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M-H+CF3COOH"	112.985586
"1301143"	581.195464	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Cl+CF3COOH"	148.962264
"1381128"	397.220524	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H-2H2O"	-35.012676
"1397532"	415.2305	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H-H2O"	-17.0027
"298416"	865.473676	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+H"	1.007276
"685993"	1297.706876	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+H"	1.007276
"1355779"	433.240476	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H"	1.007276
"126479"	433.240476	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+2H"	2.014552
"570417"	649.357076	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+2H"	2.014552
"1039943"	217.123876	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2H"	2.014552
"209305"	289.162742666667	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+3H"	3.021828
"651053"	433.240476	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+3H"	3.021828
"1166988"	145.085009333333	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+3H"	3.021828
"433545"	882.500223	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+NH4"	18.033823
"794546"	1314.733423	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+NH4"	18.033823
"1692701"	450.267023	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+NH4"	18.033823
"335875"	441.7537495	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+H+NH4"	19.041099
"731577"	657.8703495	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+H+NH4"	19.041099
"1485398"	225.6371495	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H+NH4"	19.041099
"404077"	887.455618	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+Na"	22.989218
"760699"	1319.688818	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+Na"	22.989218
"1609890"	455.222418	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Na"	22.989218
"322113"	444.231447	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+H+Na"	23.996494
"717818"	660.348047	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+H+Na"	23.996494
"1471636"	228.114847	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H+Na"	23.996494
"1064518"	152.412323333333	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2H+Na"	25.00377
"1265470"	465.266686	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+CH3OH+H"	33.033486
"391701"	903.429558	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+K"	38.963158
"750510"	1335.662758	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+K"	38.963158
"1554995"	471.196358	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+K"	38.963158
"305365"	452.218417	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+H+K"	39.970434
"701068"	668.335017	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+H+K"	39.970434
"1450513"	236.101817	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H+K"	39.970434
"240211"	906.500226	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+ACN+H"	42.033826
"1217294"	474.267026	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+ACN+H"	42.033826
"1200084"	237.637151	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+ACN+2H"	43.041102
"199526"	909.43756	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+2Na-H"	44.97116
"641276"	1341.67076	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+2Na-H"	44.97116
"1142594"	477.20436	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2Na-H"	44.97116
"185399"	455.222418	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+2Na"	45.978436
"623257"	671.339018	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+2Na"	45.978436
"1128589"	239.105818	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2Na"	45.978436
"1409926"	159.739637333333	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H+2Na"	46.985712
"1440216"	479.245946	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H+HCOOH"	47.012746
"229910"	460.25544	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+3H2O+2H"	56.04448
"1519066"	493.29799	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+IsoProp+H"	61.06479
"422036"	463.209388	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+Na+K"	61.952376
"779748"	679.325988	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+Na+K"	61.952376
"1672798"	247.092788	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Na+K"	61.952376
"260414"	928.482168	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+ACN+Na"	64.015768
"1236406"	496.248968	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+ACN+Na"	64.015768
"1720918"	496.272493	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+NH4+HCOOH"	64.039293
"1185176"	167.066951333333	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+3Na"	68.967654
"1651785"	501.227888	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Na+HCOOH"	68.994688
"159743"	941.38544	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+2K-H"	76.91904
"610245"	1373.61864	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+2K-H"	76.91904
"1098051"	509.15224	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2K-H"	76.91904
"156681"	471.196358	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"2M+2K"	77.926316
"587856"	687.312958	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"3M+2K"	77.926316
"1074554"	255.079758	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2K"	77.926316
"1103754"	511.166792	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2K+H"	78.933592
"1341964"	511.254407	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+DMSO+H"	79.021207
"1012681"	515.293576	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2ACN+H"	83.060376
"1536276"	516.287208	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+IsoProp+Na+H"	84.054008
"1002725"	258.150426	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+2ACN+2H"	84.067652
"1596133"	517.201828	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+K+HCOOH"	84.968628
"1427260"	547.233338	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+H+CF3COOH"	115.000138
"1157549"	278.663701	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+3ACN+2H"	125.094202
"1708196"	564.259885	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+NH4+CF3COOH"	132.026685
"1642753"	569.21528	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+Na+CF3COOH"	136.98208
"1574030"	585.18922	"C07777"	"Buclizine"	"C28H33ClN2"	"432.2332"	"M+K+CF3COOH"	152.95602
"814237"	388.1554	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M"	0
"982302"	369.13701	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-H2O-H"	-19.01839
"77725"	257.762990666667	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M-3H"	-3.021828
"517896"	387.148124	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M-3H"	-3.021828
"894479"	128.377857333333	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-3H"	-3.021828
"14149"	387.148124	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M-2H"	-2.014552
"453708"	581.225824	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M-2H"	-2.014552
"828225"	193.070424	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-2H"	-2.014552
"91496"	775.303524	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M-H"	-1.007276
"533123"	1163.458924	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M-H"	-1.007276
"906672"	387.148124	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-H"	-1.007276
"55586"	792.330071	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M-2H+NH4"	16.019271
"495147"	1180.485471	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M-2H+NH4"	16.019271
"871852"	404.174671	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-2H+NH4"	16.019271
"38661"	797.285466	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M-2H+Na"	20.974666
"477124"	1185.440866	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M-2H+Na"	20.974666
"853829"	409.130066	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-2H+Na"	20.974666
"1627736"	409.130066	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Na-2H"	20.974666
"98799"	405.136463	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M-H+Cl"	33.962126
"535565"	599.214163	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M-H+Cl"	33.962126
"927985"	211.058763	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-H+Cl"	33.962126
"269211"	811.280202	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+Cl"	34.969402
"661753"	1199.435602	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+Cl"	34.969402
"1275252"	423.124802	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Cl"	34.969402
"23284"	813.259406	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M-2H+K"	36.948606
"461752"	1201.414806	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M-2H+K"	36.948606
"837730"	425.104006	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-2H+K"	36.948606
"1561950"	425.104006	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+K-2H"	36.948606
"948738"	433.153594	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-H+HCOOH"	44.998194
"372423"	821.309001	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+HCOOH-H"	44.998201
"360927"	835.324651	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+Hac-H"	59.013851
"1507937"	447.169251	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Hac-H"	59.013851
"974011"	455.135551	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-H+NaCOOH"	66.980151
"114299"	423.124802	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+2Cl"	69.938804
"554956"	617.202502	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+2Cl"	69.938804
"1028859"	229.047102	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2Cl"	69.938804
"1251718"	467.074285	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Br"	78.918885
"1315262"	469.130272	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Cl+HCOOH"	80.974872
"1328383"	491.112229	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Cl+NaCOOH"	102.956829
"925888"	501.140986	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M-H+CF3COOH"	112.985586
"1302349"	537.117664	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Cl+CF3COOH"	148.962264
"1380512"	353.142724	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H-2H2O"	-35.012676
"1398334"	371.1527	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H-H2O"	-17.0027
"297329"	777.318076	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+H"	1.007276
"688658"	1165.473476	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+H"	1.007276
"1362451"	389.162676	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H"	1.007276
"134246"	389.162676	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+2H"	2.014552
"572712"	583.240376	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+2H"	2.014552
"1045890"	195.084976	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2H"	2.014552
"212696"	259.777542666667	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+3H"	3.021828
"652259"	389.162676	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+3H"	3.021828
"1166734"	130.392409333333	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+3H"	3.021828
"430374"	794.344623	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+NH4"	18.033823
"793562"	1182.500023	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+NH4"	18.033823
"1689895"	406.189223	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+NH4"	18.033823
"338173"	397.6759495	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+H+NH4"	19.041099
"728406"	591.7536495	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+H+NH4"	19.041099
"1488789"	203.5982495	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H+NH4"	19.041099
"399814"	799.300018	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+Na"	22.989218
"761903"	1187.455418	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+Na"	22.989218
"1606719"	411.144618	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Na"	22.989218
"321130"	400.153647	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+H+Na"	23.996494
"717930"	594.231347	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+H+Na"	23.996494
"1471748"	206.075947	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H+Na"	23.996494
"1063535"	137.719723333333	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2H+Na"	25.00377
"1268496"	421.188886	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+CH3OH+H"	33.033486
"392816"	815.273958	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+K"	38.963158
"752807"	1203.429358	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+K"	38.963158
"1552673"	427.118558	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+K"	38.963158
"306569"	408.140617	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+H+K"	39.970434
"702271"	602.218317	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+H+K"	39.970434
"1454997"	214.062917	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H+K"	39.970434
"242507"	818.344626	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+ACN+H"	42.033826
"1216311"	430.189226	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+ACN+H"	42.033826
"1202383"	215.598251	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+ACN+2H"	43.041102
"199636"	821.28196	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+2Na-H"	44.97116
"640294"	1209.43736	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+2Na-H"	44.97116
"1143802"	433.12656	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2Na-H"	44.97116
"183809"	411.144618	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+2Na"	45.978436
"625554"	605.222318	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+2Na"	45.978436
"1127605"	217.066918	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2Na"	45.978436
"1411860"	145.047037333333	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H+2Na"	46.985712
"1441788"	435.168146	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H+HCOOH"	47.012746
"233668"	416.17764	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+3H2O+2H"	56.04448
"1521362"	449.22019	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+IsoProp+H"	61.06479
"422145"	419.131588	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+Na+K"	61.952376
"784479"	613.209288	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+Na+K"	61.952376
"1679469"	225.053888	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Na+K"	61.952376
"263801"	840.326568	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+ACN+Na"	64.015768
"1231046"	452.171168	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+ACN+Na"	64.015768
"1716649"	452.194693	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+NH4+HCOOH"	64.039293
"1180909"	152.374351333333	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+3Na"	68.967654
"1652991"	457.150088	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Na+HCOOH"	68.994688
"159121"	853.22984	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+2K-H"	76.91904
"610842"	1241.38524	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+2K-H"	76.91904
"1098887"	465.07444	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2K-H"	76.91904
"156061"	427.118558	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"2M+2K"	77.926316
"585779"	621.196258	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"3M+2K"	77.926316
"1071386"	233.040858	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2K"	77.926316
"1108968"	467.088992	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2K+H"	78.933592
"1343166"	467.176607	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+DMSO+H"	79.021207
"1010604"	471.215776	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2ACN+H"	83.060376
"1535293"	472.209408	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+IsoProp+Na+H"	84.054008
"1004416"	236.111526	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+2ACN+2H"	84.067652
"1599525"	473.124028	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+K+HCOOH"	84.968628
"1425186"	503.155538	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+H+CF3COOH"	115.000138
"1161306"	256.624801	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+3ACN+2H"	125.094202
"1707213"	520.182085	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+NH4+CF3COOH"	132.026685
"1642863"	525.13748	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+Na+CF3COOH"	136.98208
"1583981"	541.11142	"C07778"	"Cetirizine"	"C21H25ClN2O3"	"388.1554"	"M+K+CF3COOH"	152.95602
"804870"	390.1346	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M"	0
"981319"	371.11621	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H2O-H"	-19.01839
"67374"	259.082457333333	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-3H"	-3.021828
"518007"	389.127324	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-3H"	-3.021828
"894226"	129.037590666667	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-3H"	-3.021828
"14625"	389.127324	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H"	-2.014552
"453095"	584.194624	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H"	-2.014552
"830525"	194.060024	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H"	-2.014552
"92701"	779.261924	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-H"	-1.007276
"533686"	1169.396524	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-H"	-1.007276
"909942"	389.127324	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H"	-1.007276
"57883"	796.288471	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H+NH4"	16.019271
"496350"	1186.423071	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H+NH4"	16.019271
"875241"	406.153871	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H+NH4"	16.019271
"37677"	801.243866	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H+Na"	20.974666
"477237"	1191.378466	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H+Na"	20.974666
"856131"	411.109266	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H+Na"	20.974666
"1627851"	411.109266	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na-2H"	20.974666
"102193"	407.115663	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-H+Cl"	33.962126
"538473"	602.182963	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-H+Cl"	33.962126
"931988"	212.048363	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+Cl"	33.962126
"277106"	815.238602	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Cl"	34.969402
"668435"	1205.373202	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+Cl"	34.969402
"1284119"	425.104002	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl"	34.969402
"22301"	817.217806	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H+K"	36.948606
"461862"	1207.352406	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H+K"	36.948606
"845863"	427.083206	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H+K"	36.948606
"1567529"	427.083206	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K-2H"	36.948606
"954318"	435.132794	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+HCOOH"	44.998194
"376876"	825.267401	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+HCOOH-H"	44.998201
"360552"	839.283051	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Hac-H"	59.013851
"1507528"	449.148451	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Hac-H"	59.013851
"974013"	457.114751	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+NaCOOH"	66.980151
"122797"	425.104002	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2Cl"	69.938804
"563450"	620.171302	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2Cl"	69.938804
"1035535"	230.036702	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2Cl"	69.938804
"1255475"	469.053485	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Br"	78.918885
"1317565"	471.109472	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl+HCOOH"	80.974872
"1333598"	493.091429	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl+NaCOOH"	102.956829
"926845"	503.120186	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+CF3COOH"	112.985586
"1304006"	539.096864	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl+CF3COOH"	148.962264
"1382600"	355.121924	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H-2H2O"	-35.012676
"1398453"	373.1319	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H-H2O"	-17.0027
"298514"	781.276476	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H"	1.007276
"689131"	1171.411076	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H"	1.007276
"1362561"	391.141876	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H"	1.007276
"134356"	391.141876	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2H"	2.014552
"572822"	586.209176	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2H"	2.014552
"1049648"	196.074576	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2H"	2.014552
"214994"	261.097009333333	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+3H"	3.021828
"653462"	391.141876	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+3H"	3.021828
"1165752"	131.052142666667	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+3H"	3.021828
"439367"	798.303023	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+NH4"	18.033823
"796953"	1188.437623	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+NH4"	18.033823
"1688912"	408.168423	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+NH4"	18.033823
"339376"	399.6551495	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H+NH4"	19.041099
"735806"	594.7224495	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H+NH4"	19.041099
"1487805"	204.5878495	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+NH4"	19.041099
"407216"	803.258418	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Na"	22.989218
"768210"	1193.393018	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+Na"	22.989218
"1612297"	413.123818	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na"	22.989218
"321240"	402.132847	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H+Na"	23.996494
"720227"	597.200147	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H+Na"	23.996494
"1470766"	207.065547	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+Na"	23.996494
"1066198"	138.379456666667	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2H+Na"	25.00377
"1270065"	423.168086	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+CH3OH+H"	33.033486
"392502"	819.232358	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+K"	38.963158
"754020"	1209.366958	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+K"	38.963158
"1555261"	429.097758	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K"	38.963158
"313487"	410.119817	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H+K"	39.970434
"704568"	605.187117	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H+K"	39.970434
"1456200"	215.052517	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+K"	39.970434
"243712"	822.303026	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+ACN+H"	42.033826
"1220795"	432.168426	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+ACN+H"	42.033826
"1201397"	216.587851	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+ACN+2H"	43.041102
"201937"	825.24036	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2Na-H"	44.97116
"643890"	1215.37496	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2Na-H"	44.97116
"1146226"	435.10576	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2Na-H"	44.97116
"187693"	413.123818	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2Na"	45.978436
"627126"	608.191118	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2Na"	45.978436
"1130514"	218.056518	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2Na"	45.978436
"1412702"	145.706770666667	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+2Na"	46.985712
"1443356"	437.147346	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+HCOOH"	47.012746
"233048"	418.15684	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+3H2O+2H"	56.04448
"1523175"	451.19939	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+IsoProp+H"	61.06479
"423231"	421.110788	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Na+K"	61.952376
"785639"	616.178088	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+Na+K"	61.952376
"1681184"	226.043488	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na+K"	61.952376
"266100"	844.284968	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+ACN+Na"	64.015768
"1233344"	454.150368	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+ACN+Na"	64.015768
"1720041"	454.173893	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+NH4+HCOOH"	64.039293
"1188676"	153.034084666667	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+3Na"	68.967654
"1655287"	459.129288	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na+HCOOH"	68.994688
"162146"	857.18824	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2K-H"	76.91904
"610465"	1247.32284	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2K-H"	76.91904
"1099797"	467.05364	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2K-H"	76.91904
"155926"	429.097758	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2K"	77.926316
"596584"	624.165058	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2K"	77.926316
"1080244"	234.030458	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2K"	77.926316
"1109079"	469.068192	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2K+H"	78.933592
"1342183"	469.155807	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+DMSO+H"	79.021207
"1012901"	473.194976	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2ACN+H"	83.060376
"1535402"	474.188608	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+IsoProp+Na+H"	84.054008
"1001852"	237.101126	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2ACN+2H"	84.067652
"1599635"	475.103228	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K+HCOOH"	84.968628
"1427483"	505.134738	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+CF3COOH"	115.000138
"1162023"	257.614401	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+3ACN+2H"	125.094202
"1711334"	522.161285	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+NH4+CF3COOH"	132.026685
"1648684"	527.11668	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na+CF3COOH"	136.98208
"1584091"	543.09062	"C07780"	"Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K+CF3COOH"	152.95602
"813364"	390.1346	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M"	0
"981429"	371.11621	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H2O-H"	-19.01839
"66390"	259.082457333333	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-3H"	-3.021828
"505949"	389.127324	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-3H"	-3.021828
"895354"	129.037590666667	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-3H"	-3.021828
"14006"	389.127324	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H"	-2.014552
"453934"	584.194624	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H"	-2.014552
"831370"	194.060024	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H"	-2.014552
"92084"	779.261924	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-H"	-1.007276
"534061"	1169.396524	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-H"	-1.007276
"909809"	389.127324	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H"	-1.007276
"61148"	796.288471	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H+NH4"	16.019271
"499741"	1186.423071	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H+NH4"	16.019271
"872073"	406.153871	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H+NH4"	16.019271
"43253"	801.243866	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H+Na"	20.974666
"476253"	1191.378466	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H+Na"	20.974666
"855148"	411.109266	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H+Na"	20.974666
"1625774"	411.109266	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na-2H"	20.974666
"102303"	407.115663	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-H+Cl"	33.962126
"536761"	602.182963	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-H+Cl"	33.962126
"931005"	212.048363	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+Cl"	33.962126
"275029"	815.238602	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Cl"	34.969402
"668545"	1205.373202	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+Cl"	34.969402
"1283136"	425.104002	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl"	34.969402
"22411"	817.217806	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M-2H+K"	36.948606
"463065"	1207.352406	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M-2H+K"	36.948606
"845973"	427.083206	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-2H+K"	36.948606
"1569826"	427.083206	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K-2H"	36.948606
"954428"	435.132794	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+HCOOH"	44.998194
"376539"	825.267401	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+HCOOH-H"	44.998201
"360421"	839.283051	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Hac-H"	59.013851
"1508211"	449.148451	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Hac-H"	59.013851
"974079"	457.114751	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+NaCOOH"	66.980151
"122907"	425.104002	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2Cl"	69.938804
"563560"	620.171302	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2Cl"	69.938804
"1034915"	230.036702	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2Cl"	69.938804
"1253034"	469.053485	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Br"	78.918885
"1319500"	471.109472	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl+HCOOH"	80.974872
"1330792"	493.091429	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl+NaCOOH"	102.956829
"926673"	503.120186	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M-H+CF3COOH"	112.985586
"1303952"	539.096864	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Cl+CF3COOH"	148.962264
"1382561"	355.121924	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H-2H2O"	-35.012676
"1398341"	373.1319	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H-H2O"	-17.0027
"298510"	781.276476	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H"	1.007276
"688513"	1171.411076	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H"	1.007276
"1361578"	391.141876	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H"	1.007276
"134466"	391.141876	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2H"	2.014552
"574025"	586.209176	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2H"	2.014552
"1050851"	196.074576	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2H"	2.014552
"215104"	261.097009333333	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+3H"	3.021828
"655758"	391.141876	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+3H"	3.021828
"1164769"	131.052142666667	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+3H"	3.021828
"439354"	798.303023	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+NH4"	18.033823
"793784"	1188.437623	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+NH4"	18.033823
"1694857"	408.168423	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+NH4"	18.033823
"339487"	399.6551495	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H+NH4"	19.041099
"734823"	594.7224495	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H+NH4"	19.041099
"1484634"	204.5878495	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+NH4"	19.041099
"404044"	803.258418	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Na"	22.989218
"763215"	1193.393018	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+Na"	22.989218
"1611314"	413.123818	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na"	22.989218
"321350"	402.132847	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H+Na"	23.996494
"720337"	597.200147	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H+Na"	23.996494
"1470876"	207.065547	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+Na"	23.996494
"1059747"	138.379456666667	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2H+Na"	25.00377
"1271268"	423.168086	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+CH3OH+H"	33.033486
"392444"	819.232358	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+K"	38.963158
"753518"	1209.366958	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+K"	38.963158
"1553988"	429.097758	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K"	38.963158
"312625"	410.119817	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+H+K"	39.970434
"703584"	605.187117	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+H+K"	39.970434
"1456310"	215.052517	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+K"	39.970434
"243822"	822.303026	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+ACN+H"	42.033826
"1220905"	432.168426	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+ACN+H"	42.033826
"1199321"	216.587851	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+ACN+2H"	43.041102
"204092"	825.24036	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2Na-H"	44.97116
"644001"	1215.37496	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2Na-H"	44.97116
"1146339"	435.10576	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2Na-H"	44.97116
"188337"	413.123818	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2Na"	45.978436
"628259"	608.191118	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2Na"	45.978436
"1131264"	218.056518	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2Na"	45.978436
"1414130"	145.706770666667	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+2Na"	46.985712
"1444883"	437.147346	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+HCOOH"	47.012746
"235594"	418.15684	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+3H2O+2H"	56.04448
"1521584"	451.19939	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+IsoProp+H"	61.06479
"423708"	421.110788	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+Na+K"	61.952376
"785643"	616.178088	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+Na+K"	61.952376
"1681143"	226.043488	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na+K"	61.952376
"266534"	844.284968	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+ACN+Na"	64.015768
"1237829"	454.150368	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+ACN+Na"	64.015768
"1720153"	454.173893	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+NH4+HCOOH"	64.039293
"1184414"	153.034084666667	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+3Na"	68.967654
"1656491"	459.129288	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na+HCOOH"	68.994688
"162621"	857.18824	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2K-H"	76.91904
"610575"	1247.32284	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2K-H"	76.91904
"1099795"	467.05364	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2K-H"	76.91904
"157059"	429.097758	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"2M+2K"	77.926316
"592561"	624.165058	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"3M+2K"	77.926316
"1082420"	234.030458	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2K"	77.926316
"1112469"	469.068192	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2K+H"	78.933592
"1345574"	469.155807	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+DMSO+H"	79.021207
"1018479"	473.194976	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2ACN+H"	83.060376
"1538314"	474.188608	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+IsoProp+Na+H"	84.054008
"1001963"	237.101126	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+2ACN+2H"	84.067652
"1601209"	475.103228	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K+HCOOH"	84.968628
"1424313"	505.134738	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+H+CF3COOH"	115.000138
"1161530"	257.614401	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+3ACN+2H"	125.094202
"1711079"	522.161285	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+NH4+CF3COOH"	132.026685
"1649037"	527.11668	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+Na+CF3COOH"	136.98208
"1584201"	543.09062	"C07783"	"Dexchlorpheniramine maleate;d-Chlorpheniramine maleate"	"C16H19ClN2C4H4O4"	"390.1346"	"M+K+CF3COOH"	152.95602
"805819"	291.139	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M"	0
"981539"	272.12061	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-H2O-H"	-19.01839
"65405"	193.085390666667	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M-3H"	-3.021828
"503140"	290.131724	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M-3H"	-3.021828
"895302"	96.0390573333333	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-3H"	-3.021828
"15617"	290.131724	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M-2H"	-2.014552
"454773"	435.701224	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M-2H"	-2.014552
"832288"	144.562224	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-2H"	-2.014552
"92929"	581.270724	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M-H"	-1.007276
"531268"	872.409724	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M-H"	-1.007276
"908098"	290.131724	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-H"	-1.007276
"60165"	598.297271	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M-2H+NH4"	16.019271
"501309"	889.436271	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M-2H+NH4"	16.019271
"873276"	307.158271	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-2H+NH4"	16.019271
"41177"	603.252666	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M-2H+Na"	20.974666
"478550"	894.391666	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M-2H+Na"	20.974666
"854164"	312.113666	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-2H+Na"	20.974666
"1629164"	312.113666	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Na-2H"	20.974666
"103506"	308.120063	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M-H+Cl"	33.962126
"537600"	453.689563	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M-H+Cl"	33.962126
"934396"	162.550563	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-H+Cl"	33.962126
"275139"	617.247402	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+Cl"	34.969402
"668655"	908.386402	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+Cl"	34.969402
"1285432"	326.108402	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Cl"	34.969402
"22521"	619.226606	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M-2H+K"	36.948606
"463175"	910.365606	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M-2H+K"	36.948606
"838060"	328.087606	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-2H+K"	36.948606
"1571030"	328.087606	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+K-2H"	36.948606
"955996"	336.137194	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-H+HCOOH"	44.998194
"375672"	627.276201	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+HCOOH-H"	44.998201
"360975"	641.291851	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+Hac-H"	59.013851
"1507421"	350.152851	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Hac-H"	59.013851
"973504"	358.119151	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-H+NaCOOH"	66.980151
"123014"	326.108402	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+2Cl"	69.938804
"563669"	471.677902	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+2Cl"	69.938804
"1033928"	180.538902	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2Cl"	69.938804
"1253508"	370.057885	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Br"	78.918885
"1318509"	372.113872	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Cl+HCOOH"	80.974872
"1331995"	394.095829	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Cl+NaCOOH"	102.956829
"926581"	404.124586	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M-H+CF3COOH"	112.985586
"1303900"	440.101264	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Cl+CF3COOH"	148.962264
"1382180"	256.126324	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H-2H2O"	-35.012676
"1396151"	274.1363	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H-H2O"	-17.0027
"295107"	583.285276	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+H"	1.007276
"685337"	874.424276	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+H"	1.007276
"1362417"	292.146276	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H"	1.007276
"126920"	292.146276	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+2H"	2.014552
"566965"	437.715776	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+2H"	2.014552
"1047312"	146.576776	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2H"	2.014552
"209016"	195.099942666667	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+3H"	3.021828
"655868"	292.146276	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+3H"	3.021828
"1164879"	98.0536093333333	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+3H"	3.021828
"437272"	600.311823	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+NH4"	18.033823
"791706"	891.450823	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+NH4"	18.033823
"1689132"	309.172823	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+NH4"	18.033823
"337409"	300.6595495	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+H+NH4"	19.041099
"733110"	446.2290495	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+H+NH4"	19.041099
"1483650"	155.0900495	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H+NH4"	19.041099
"402331"	605.267218	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+Na"	22.989218
"762233"	896.406218	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+Na"	22.989218
"1611424"	314.128218	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Na"	22.989218
"321457"	303.137247	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+H+Na"	23.996494
"721177"	448.706747	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+H+Na"	23.996494
"1472079"	157.567747	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H+Na"	23.996494
"1062407"	105.380923333333	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2H+Na"	25.00377
"1267004"	324.172486	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+CH3OH+H"	33.033486
"392148"	621.241158	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+K"	38.963158
"753508"	912.380158	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+K"	38.963158
"1552639"	330.102158	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+K"	38.963158
"313223"	311.124217	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+H+K"	39.970434
"703694"	456.693717	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+H+K"	39.970434
"1455692"	165.554717	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H+K"	39.970434
"242839"	624.311826	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+ACN+H"	42.033826
"1221015"	333.172826	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+ACN+H"	42.033826
"1202710"	167.090051	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+ACN+2H"	43.041102
"203139"	627.24916	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+2Na-H"	44.97116
"643671"	918.38816	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+2Na-H"	44.97116
"1146989"	336.11016	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2Na-H"	44.97116
"188514"	314.128218	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+2Na"	45.978436
"628497"	459.697718	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+2Na"	45.978436
"1131103"	168.558718	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2Na"	45.978436
"1414021"	112.708237333333	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H+2Na"	46.985712
"1444672"	338.151746	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H+HCOOH"	47.012746
"235462"	319.16124	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+3H2O+2H"	56.04448
"1523153"	352.20379	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+IsoProp+H"	61.06479
"424251"	322.115188	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+Na+K"	61.952376
"785176"	467.684688	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+Na+K"	61.952376
"1680942"	176.545688	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Na+K"	61.952376
"265592"	646.293768	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+ACN+Na"	64.015768
"1239036"	355.154768	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+ACN+Na"	64.015768
"1725730"	355.178293	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+NH4+HCOOH"	64.039293
"1188898"	120.035551333333	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+3Na"	68.967654
"1654053"	360.133688	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Na+HCOOH"	68.994688
"165647"	659.19704	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+2K-H"	76.91904
"612513"	950.33604	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+2K-H"	76.91904
"1099905"	368.05804	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2K-H"	76.91904
"156512"	330.102158	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"2M+2K"	77.926316
"597066"	475.671658	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"3M+2K"	77.926316
"1083910"	184.532658	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2K"	77.926316
"1112458"	370.072592	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2K+H"	78.933592
"1348845"	370.160207	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+DMSO+H"	79.021207
"1020656"	374.199376	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2ACN+H"	83.060376
"1538303"	375.193008	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+IsoProp+Na+H"	84.054008
"1002806"	187.603326	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+2ACN+2H"	84.067652
"1601680"	376.107628	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+K+HCOOH"	84.968628
"1426979"	406.139138	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+H+CF3COOH"	115.000138
"1159090"	208.116601	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+3ACN+2H"	125.094202
"1711191"	423.165685	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+NH4+CF3COOH"	132.026685
"1649268"	428.12108	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+Na+CF3COOH"	136.98208
"1584311"	444.09502	"C07784"	"Diphenhydramine hydrochloride"	"C17H21NOHCl"	"291.139"	"M+K+CF3COOH"	152.95602
"804836"	302.2107	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M"	0
"981649"	283.19231	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-H2O-H"	-19.01839
"63812"	200.466524	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M-3H"	-3.021828
"505437"	301.203424	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M-3H"	-3.021828
"894194"	99.729624	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-3H"	-3.021828
"13258"	301.203424	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M-2H"	-2.014552
"452334"	452.308774	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M-2H"	-2.014552
"830858"	150.098074	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-2H"	-2.014552
"90846"	603.414124	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M-H"	-1.007276
"532106"	905.624824	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M-H"	-1.007276
"908936"	301.203424	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-H"	-1.007276
"58209"	620.440671	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M-2H+NH4"	16.019271
"497773"	922.651371	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M-2H+NH4"	16.019271
"876666"	318.229971	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-2H+NH4"	16.019271
"41288"	625.396066	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M-2H+Na"	20.974666
"476474"	927.606766	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M-2H+Na"	20.974666
"852086"	323.185366	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-2H+Na"	20.974666
"1623805"	323.185366	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Na-2H"	20.974666
"99240"	319.191763	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M-H+Cl"	33.962126
"535522"	470.297113	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M-H+Cl"	33.962126
"927944"	168.086413	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-H+Cl"	33.962126
"270874"	639.390802	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+Cl"	34.969402
"660417"	941.601502	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+Cl"	34.969402
"1273512"	337.180102	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Cl"	34.969402
"19351"	641.370006	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M-2H+K"	36.948606
"460004"	943.580706	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M-2H+K"	36.948606
"834525"	339.159306	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-2H+K"	36.948606
"1564577"	339.159306	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+K-2H"	36.948606
"949179"	347.208894	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-H+HCOOH"	44.998194
"371768"	649.419601	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+HCOOH-H"	44.998201
"358940"	663.435251	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+Hac-H"	59.013851
"1506192"	361.224551	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Hac-H"	59.013851
"969840"	369.190851	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-H+NaCOOH"	66.980151
"119842"	337.180102	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+2Cl"	69.938804
"553935"	488.285452	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+2Cl"	69.938804
"1023828"	186.074752	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2Cl"	69.938804
"1251064"	381.129585	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Br"	78.918885
"1316069"	383.185572	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Cl+HCOOH"	80.974872
"1328825"	405.167529	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Cl+NaCOOH"	102.956829
"919883"	415.196286	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M-H+CF3COOH"	112.985586
"1301332"	451.172964	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Cl+CF3COOH"	148.962264
"1382169"	267.198024	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H-2H2O"	-35.012676
"1396140"	285.208	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H-H2O"	-17.0027
"294853"	605.428676	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+H"	1.007276
"688727"	907.639376	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+H"	1.007276
"1361798"	303.217976	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H"	1.007276
"129218"	303.217976	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+2H"	2.014552
"569872"	454.323326	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+2H"	2.014552
"1047422"	152.112626	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2H"	2.014552
"212042"	202.481076	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+3H"	3.021828
"657071"	303.217976	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+3H"	3.021828
"1173009"	101.744176	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+3H"	3.021828
"438109"	622.455223	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+NH4"	18.033823
"792910"	924.665923	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+NH4"	18.033823
"1689238"	320.244523	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+NH4"	18.033823
"340798"	311.7312495	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+H+NH4"	19.041099
"735772"	462.8365995	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+H+NH4"	19.041099
"1489228"	160.6258995	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H+NH4"	19.041099
"404628"	627.410618	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+Na"	22.989218
"764530"	929.621318	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+Na"	22.989218
"1613719"	325.199918	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Na"	22.989218
"322664"	314.208947	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+H+Na"	23.996494
"717278"	465.314297	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+H+Na"	23.996494
"1471096"	163.103597	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H+Na"	23.996494
"1064339"	109.07149	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2H+Na"	25.00377
"1268934"	335.244186	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+CH3OH+H"	33.033486
"392259"	643.384558	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+K"	38.963158
"749967"	945.595258	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+K"	38.963158
"1554777"	341.173858	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+K"	38.963158
"313693"	322.195917	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+H+K"	39.970434
"701980"	473.301267	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+H+K"	39.970434
"1458716"	171.090567	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H+K"	39.970434
"245135"	646.455226	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+ACN+H"	42.033826
"1222218"	344.244526	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+ACN+H"	42.033826
"1203912"	172.625901	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+ACN+2H"	43.041102
"201902"	649.39256	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+2Na-H"	44.97116
"642807"	951.60326	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+2Na-H"	44.97116
"1146073"	347.18186	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2Na-H"	44.97116
"188026"	325.199918	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+2Na"	45.978436
"628152"	476.305268	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+2Na"	45.978436
"1131213"	174.094568	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2Na"	45.978436
"1414003"	116.398804	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H+2Na"	46.985712
"1445149"	349.223446	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H+HCOOH"	47.012746
"234720"	330.23294	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+3H2O+2H"	56.04448
"1520713"	363.27549	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+IsoProp+H"	61.06479
"424053"	333.186888	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+Na+K"	61.952376
"784677"	484.292238	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+Na+K"	61.952376
"1681007"	182.081538	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Na+K"	61.952376
"264609"	668.437168	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+ACN+Na"	64.015768
"1239146"	366.226468	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+ACN+Na"	64.015768
"1724748"	366.249993	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+NH4+HCOOH"	64.039293
"1191924"	123.726118	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+3Na"	68.967654
"1654529"	371.205388	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Na+HCOOH"	68.994688
"165758"	681.34044	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+2K-H"	76.91904
"612652"	983.55114	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+2K-H"	76.91904
"1099325"	379.12974	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2K-H"	76.91904
"156704"	341.173858	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"2M+2K"	77.926316
"595944"	492.279208	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"3M+2K"	77.926316
"1083376"	190.068508	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2K"	77.926316
"1113664"	381.144292	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2K+H"	78.933592
"1349076"	381.231907	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+DMSO+H"	79.021207
"1015417"	385.271076	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2ACN+H"	83.060376
"1537923"	386.264708	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+IsoProp+Na+H"	84.054008
"1004614"	193.139176	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+2ACN+2H"	84.067652
"1599970"	387.179328	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+K+HCOOH"	84.968628
"1428181"	417.210838	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+H+CF3COOH"	115.000138
"1160292"	213.652451	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+3ACN+2H"	125.094202
"1711301"	434.237385	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+NH4+CF3COOH"	132.026685
"1648771"	439.19278	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+Na+CF3COOH"	136.98208
"1584421"	455.16672	"C07785"	"Emedastine"	"C17H26N4O"	"302.2107"	"M+K+CF3COOH"	152.95602
"804946"	337.1678	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M"	0
"981759"	318.14941	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-H2O-H"	-19.01839
"63923"	223.771257333333	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M-3H"	-3.021828
"505182"	336.160524	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M-3H"	-3.021828
"894185"	111.381990666667	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-3H"	-3.021828
"15345"	336.160524	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M-2H"	-2.014552
"455234"	504.744424	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M-2H"	-2.014552
"831094"	167.576624	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-2H"	-2.014552
"91322"	673.328324	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M-H"	-1.007276
"529423"	1010.496124	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M-H"	-1.007276
"908319"	336.160524	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-H"	-1.007276
"60506"	690.354871	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M-2H+NH4"	16.019271
"498977"	1027.522671	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M-2H+NH4"	16.019271
"874590"	353.187071	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-2H+NH4"	16.019271
"44678"	695.310266	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M-2H+Na"	20.974666
"474397"	1032.478066	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M-2H+Na"	20.974666
"853290"	358.142466	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-2H+Na"	20.974666
"1623915"	358.142466	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Na-2H"	20.974666
"99349"	354.148863	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M-H+Cl"	33.962126
"534903"	522.732763	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M-H+Cl"	33.962126
"927929"	185.564963	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-H+Cl"	33.962126
"268798"	709.305002	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+Cl"	34.969402
"660972"	1046.472802	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+Cl"	34.969402
"1274106"	372.137202	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Cl"	34.969402
"20554"	711.284206	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M-2H+K"	36.948606
"460114"	1048.452006	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M-2H+K"	36.948606
"834635"	374.116406	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-2H+K"	36.948606
"1564687"	374.116406	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+K-2H"	36.948606
"949289"	382.165994	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-H+HCOOH"	44.998194
"369692"	719.333801	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+HCOOH-H"	44.998201
"358318"	733.349451	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+Hac-H"	59.013851
"1504235"	396.181651	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Hac-H"	59.013851
"971043"	404.147951	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-H+NaCOOH"	66.980151
"119952"	372.137202	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+2Cl"	69.938804
"560606"	540.721102	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+2Cl"	69.938804
"1026125"	203.553302	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2Cl"	69.938804
"1249351"	416.086685	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Br"	78.918885
"1315450"	418.142672	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Cl+HCOOH"	80.974872
"1328571"	440.124629	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Cl+NaCOOH"	102.956829
"918900"	450.153386	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M-H+CF3COOH"	112.985586
"1302535"	486.130064	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Cl+CF3COOH"	148.962264
"1382700"	302.155124	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H-2H2O"	-35.012676
"1395278"	320.1651	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H-H2O"	-17.0027
"295328"	675.342876	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+H"	1.007276
"687382"	1012.510676	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+H"	1.007276
"1361181"	338.175076	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H"	1.007276
"130421"	338.175076	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+2H"	2.014552
"570346"	506.758976	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+2H"	2.014552
"1046804"	169.591176	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2H"	2.014552
"212152"	225.785809333333	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+3H"	3.021828
"656088"	338.175076	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+3H"	3.021828
"1169839"	113.396542666667	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+3H"	3.021828
"429831"	692.369423	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+NH4"	18.033823
"795207"	1029.537223	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+NH4"	18.033823
"1689348"	355.201623	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+NH4"	18.033823
"340545"	346.6883495	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+H+NH4"	19.041099
"734423"	515.2722495	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+H+NH4"	19.041099
"1488972"	178.1044495	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H+NH4"	19.041099
"403644"	697.324818	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+Na"	22.989218
"763546"	1034.492618	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+Na"	22.989218
"1610548"	360.157018	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Na"	22.989218
"321679"	349.166047	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+H+Na"	23.996494
"718481"	517.749947	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+H+Na"	23.996494
"1470113"	180.582147	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H+Na"	23.996494
"1062261"	120.723856666667	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2H+Na"	25.00377
"1269408"	370.201286	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+CH3OH+H"	33.033486
"392823"	713.298758	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+K"	38.963158
"750077"	1050.466558	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+K"	38.963158
"1551035"	376.130958	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+K"	38.963158
"308210"	357.153017	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+H+K"	39.970434
"701724"	525.736917	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+H+K"	39.970434
"1456274"	188.569117	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H+K"	39.970434
"245245"	716.369426	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+ACN+H"	42.033826
"1222328"	379.201626	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+ACN+H"	42.033826
"1204022"	190.104451	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+ACN+2H"	43.041102
"202011"	719.30676	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+2Na-H"	44.97116
"643525"	1056.47456	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+2Na-H"	44.97116
"1146061"	382.13896	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2Na-H"	44.97116
"188143"	360.157018	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+2Na"	45.978436
"628269"	528.740918	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+2Na"	45.978436
"1130965"	191.573118	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2Na"	45.978436
"1413871"	128.051170666667	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H+2Na"	46.985712
"1445216"	384.180546	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H+HCOOH"	47.012746
"233490"	365.19004	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+3H2O+2H"	56.04448
"1520457"	398.23259	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+IsoProp+H"	61.06479
"424215"	368.143988	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+Na+K"	61.952376
"783693"	536.727888	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+Na+K"	61.952376
"1676741"	199.560088	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Na+K"	61.952376
"262896"	738.351368	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+ACN+Na"	64.015768
"1239256"	401.183568	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+ACN+Na"	64.015768
"1724858"	401.207093	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+NH4+HCOOH"	64.039293
"1193739"	135.378484666667	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+3Na"	68.967654
"1654640"	406.162488	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Na+HCOOH"	68.994688
"162226"	751.25464	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+2K-H"	76.91904
"612127"	1088.42244	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+2K-H"	76.91904
"1098227"	414.08684	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2K-H"	76.91904
"156125"	376.130958	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"2M+2K"	77.926316
"593754"	544.714858	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"3M+2K"	77.926316
"1080331"	207.547058	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2K"	77.926316
"1113173"	416.101392	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2K+H"	78.933592
"1349555"	416.189007	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+DMSO+H"	79.021207
"1016620"	420.228176	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2ACN+H"	83.060376
"1538039"	421.221808	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+IsoProp+Na+H"	84.054008
"1001933"	210.617726	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+2ACN+2H"	84.067652
"1602271"	422.136428	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+K+HCOOH"	84.968628
"1429698"	452.167938	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+H+CF3COOH"	115.000138
"1159311"	231.131001	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+3ACN+2H"	125.094202
"1712385"	469.194485	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+NH4+CF3COOH"	132.026685
"1648881"	474.14988	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+Na+CF3COOH"	136.98208
"1584531"	490.12382	"C07789"	"Olopatadine"	"C21H23NO3"	"337.1678"	"M+K+CF3COOH"	152.95602
"805056"	261.1518	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M"	0
"981869"	242.13341	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-H2O-H"	-19.01839
"64642"	173.093924	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M-3H"	-3.021828
"505295"	260.144524	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M-3H"	-3.021828
"895585"	86.043324	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-3H"	-3.021828
"15686"	260.144524	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M-2H"	-2.014552
"454366"	390.720424	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M-2H"	-2.014552
"829612"	129.568624	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-2H"	-2.014552
"92160"	521.296324	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M-H"	-1.007276
"529533"	782.448124	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M-H"	-1.007276
"907336"	260.144524	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-H"	-1.007276
"59159"	538.322871	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M-2H+NH4"	16.019271
"499816"	799.474671	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M-2H+NH4"	16.019271
"873607"	277.171071	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-2H+NH4"	16.019271
"45154"	543.278266	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M-2H+Na"	20.974666
"484350"	804.430066	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M-2H+Na"	20.974666
"855588"	282.126466	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-2H+Na"	20.974666
"1624027"	282.126466	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Na-2H"	20.974666
"97275"	278.132863	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M-H+Cl"	33.962126
"539025"	408.708763	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M-H+Cl"	33.962126
"931447"	147.556963	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-H+Cl"	33.962126
"275470"	557.273002	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+Cl"	34.969402
"665704"	818.424802	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+Cl"	34.969402
"1274826"	296.121202	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Cl"	34.969402
"19571"	559.252206	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M-2H+K"	36.948606
"460224"	820.404006	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M-2H+K"	36.948606
"834745"	298.100406	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-2H+K"	36.948606
"1570266"	298.100406	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+K-2H"	36.948606
"954871"	306.149994	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-H+HCOOH"	44.998194
"371989"	567.301801	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+HCOOH-H"	44.998201
"360253"	581.317451	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+Hac-H"	59.013851
"1505800"	320.165651	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Hac-H"	59.013851
"970060"	328.131951	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-H+NaCOOH"	66.980151
"121886"	296.121202	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+2Cl"	69.938804
"559623"	426.697102	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+2Cl"	69.938804
"1026235"	165.545302	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2Cl"	69.938804
"1251288"	340.070685	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Br"	78.918885
"1317383"	342.126672	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Cl+HCOOH"	80.974872
"1332327"	364.108629	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Cl+NaCOOH"	102.956829
"919010"	374.137386	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M-H+CF3COOH"	112.985586
"1301187"	410.114064	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Cl+CF3COOH"	148.962264
"1376068"	226.139124	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H-2H2O"	-35.012676
"1395024"	244.1491	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H-H2O"	-17.0027
"295802"	523.310876	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+H"	1.007276
"686396"	784.462676	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+H"	1.007276
"1360561"	262.159076	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H"	1.007276
"130531"	262.159076	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+2H"	2.014552
"569363"	392.734976	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+2H"	2.014552
"1047278"	131.583176	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2H"	2.014552
"215178"	175.108476	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+3H"	3.021828
"656199"	262.159076	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+3H"	3.021828
"1175417"	88.057876	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+3H"	3.021828
"428848"	540.337423	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+NH4"	18.033823
"797138"	801.489223	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+NH4"	18.033823
"1691647"	279.185623	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+NH4"	18.033823
"338834"	270.6723495	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+H+NH4"	19.041099
"736357"	401.2482495	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+H+NH4"	19.041099
"1486170"	140.0964495	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H+NH4"	19.041099
"405943"	545.292818	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+Na"	22.989218
"760377"	806.444618	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+Na"	22.989218
"1610662"	284.141018	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Na"	22.989218
"321791"	273.150047	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+H+Na"	23.996494
"718591"	403.725947	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+H+Na"	23.996494
"1468037"	142.574147	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H+Na"	23.996494
"1063465"	95.38519	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2H+Na"	25.00377
"1268425"	294.185286	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+CH3OH+H"	33.033486
"392678"	561.266758	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+K"	38.963158
"751281"	822.418558	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+K"	38.963158
"1550781"	300.114958	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+K"	38.963158
"305040"	281.137017	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+H+K"	39.970434
"696366"	411.712917	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+H+K"	39.970434
"1454561"	150.561117	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H+K"	39.970434
"245355"	564.337426	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+ACN+H"	42.033826
"1221345"	303.185626	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+ACN+H"	42.033826
"1203039"	152.096451	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+ACN+2H"	43.041102
"201393"	567.27476	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+2Na-H"	44.97116
"644086"	828.42656	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+2Na-H"	44.97116
"1146885"	306.12296	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2Na-H"	44.97116
"188316"	284.141018	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+2Na"	45.978436
"628137"	414.716918	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+2Na"	45.978436
"1131279"	153.565118	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2Na"	45.978436
"1414121"	102.712504	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H+2Na"	46.985712
"1445167"	308.164546	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H+HCOOH"	47.012746
"234329"	289.17404	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+3H2O+2H"	56.04448
"1521659"	322.21659	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+IsoProp+H"	61.06479
"424209"	292.127988	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+Na+K"	61.952376
"784655"	422.703888	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+Na+K"	61.952376
"1677214"	161.552088	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Na+K"	61.952376
"263734"	586.319368	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+ACN+Na"	64.015768
"1241228"	325.167568	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+ACN+Na"	64.015768
"1727767"	325.191093	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+NH4+HCOOH"	64.039293
"1193482"	110.039818	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+3Na"	68.967654
"1654750"	330.146488	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Na+HCOOH"	68.994688
"163795"	599.22264	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+2K-H"	76.91904
"611015"	860.37444	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+2K-H"	76.91904
"1097365"	338.07084	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2K-H"	76.91904
"156114"	300.114958	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"2M+2K"	77.926316
"593742"	430.690858	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"3M+2K"	77.926316
"1081534"	169.539058	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2K"	77.926316
"1114376"	340.085392	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2K+H"	78.933592
"1350270"	340.173007	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+DMSO+H"	79.021207
"1017826"	344.212176	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2ACN+H"	83.060376
"1535952"	345.205808	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+IsoProp+Na+H"	84.054008
"1004471"	172.609726	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+2ACN+2H"	84.067652
"1600560"	346.120428	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+K+HCOOH"	84.968628
"1429497"	376.151938	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+H+CF3COOH"	115.000138
"1161972"	193.123001	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+3ACN+2H"	125.094202
"1711521"	393.178485	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+NH4+CF3COOH"	132.026685
"1647897"	398.13388	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+Na+CF3COOH"	136.98208
"1584641"	414.10782	"C07790"	"Phenindamine"	"C19H19N"	"261.1518"	"M+K+CF3COOH"	152.95602
"805166"	335.1667	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M"	0
"974688"	316.14831	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-H2O-H"	-19.01839
"63155"	222.437190666667	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M-3H"	-3.021828
"505404"	334.159424	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M-3H"	-3.021828
"895128"	110.714957333333	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-3H"	-3.021828
"15600"	334.159424	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M-2H"	-2.014552
"451922"	501.742774	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M-2H"	-2.014552
"830451"	166.576074	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-2H"	-2.014552
"90811"	669.326124	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M-H"	-1.007276
"527453"	1004.492824	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M-H"	-1.007276
"907082"	334.159424	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-H"	-1.007276
"55259"	686.352671	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M-2H+NH4"	16.019271
"499561"	1021.519371	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M-2H+NH4"	16.019271
"875540"	351.185971	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-2H+NH4"	16.019271
"43806"	691.308066	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M-2H+Na"	20.974666
"483367"	1026.474766	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M-2H+Na"	20.974666
"854605"	356.141366	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-2H+Na"	20.974666
"1624137"	356.141366	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Na-2H"	20.974666
"97385"	352.147763	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M-H+Cl"	33.962126
"539135"	519.731113	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M-H+Cl"	33.962126
"931557"	184.564413	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-H+Cl"	33.962126
"272300"	705.302802	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+Cl"	34.969402
"665814"	1040.469502	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+Cl"	34.969402
"1273434"	370.136102	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Cl"	34.969402
"22961"	707.282006	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M-2H+K"	36.948606
"460334"	1042.448706	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M-2H+K"	36.948606
"834855"	372.115306	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-2H+K"	36.948606
"1570376"	372.115306	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+K-2H"	36.948606
"954981"	380.164894	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-H+HCOOH"	44.998194
"368819"	715.331601	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+HCOOH-H"	44.998201
"359634"	729.347251	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+Hac-H"	59.013851
"1505910"	394.180551	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Hac-H"	59.013851
"967983"	402.146851	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-H+NaCOOH"	66.980151
"122360"	370.136102	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+2Cl"	69.938804
"560826"	537.719452	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+2Cl"	69.938804
"1026345"	202.552752	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2Cl"	69.938804
"1251397"	414.085585	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Br"	78.918885
"1316401"	416.141572	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Cl+HCOOH"	80.974872
"1332802"	438.123529	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Cl+NaCOOH"	102.956829
"921306"	448.152286	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M-H+CF3COOH"	112.985586
"1299111"	484.128964	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Cl+CF3COOH"	148.962264
"1378364"	300.154024	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H-2H2O"	-35.012676
"1395863"	318.164	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H-H2O"	-17.0027
"294090"	671.340676	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+H"	1.007276
"686506"	1006.507376	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+H"	1.007276
"1361765"	336.173976	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H"	1.007276
"132828"	336.173976	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+2H"	2.014552
"573482"	503.757326	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+2H"	2.014552
"1047388"	168.590626	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2H"	2.014552
"214924"	224.451742666667	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+3H"	3.021828
"649746"	336.173976	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+3H"	3.021828
"1168965"	112.729509333333	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+3H"	3.021828
"427864"	688.367223	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+NH4"	18.033823
"796884"	1023.533923	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+NH4"	18.033823
"1693215"	353.200523	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+NH4"	18.033823
"338944"	344.6872495	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+H+NH4"	19.041099
"736103"	512.2705995	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+H+NH4"	19.041099
"1487371"	177.1038995	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H+NH4"	19.041099
"399493"	693.322618	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+Na"	22.989218
"762673"	1028.489318	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+Na"	22.989218
"1610772"	358.155918	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Na"	22.989218
"321901"	347.164947	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+H+Na"	23.996494
"717609"	514.748297	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+H+Na"	23.996494
"1467054"	179.581597	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H+Na"	23.996494
"1062482"	120.056823333333	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2H+Na"	25.00377
"1269628"	368.200186	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+CH3OH+H"	33.033486
"392750"	709.296558	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+K"	38.963158
"751391"	1044.463258	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+K"	38.963158
"1551621"	374.129858	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+K"	38.963158
"306609"	355.151917	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+H+K"	39.970434
"695384"	522.735267	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+H+K"	39.970434
"1456859"	187.568567	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H+K"	39.970434
"243275"	712.367226	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+ACN+H"	42.033826
"1221455"	377.200526	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+ACN+H"	42.033826
"1203149"	189.103901	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+ACN+2H"	43.041102
"201504"	715.30456	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+2Na-H"	44.97116
"644207"	1050.47126	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+2Na-H"	44.97116
"1146723"	380.13786	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2Na-H"	44.97116
"188275"	358.155918	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+2Na"	45.978436
"628361"	525.739268	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+2Na"	45.978436
"1131282"	190.572568	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2Na"	45.978436
"1414019"	127.384137333333	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H+2Na"	46.985712
"1442553"	382.179446	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H+HCOOH"	47.012746
"234318"	363.18894	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+3H2O+2H"	56.04448
"1521040"	396.23149	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+IsoProp+H"	61.06479
"424099"	366.142888	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+Na+K"	61.952376
"783913"	533.726238	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+Na+K"	61.952376
"1678053"	198.559538	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Na+K"	61.952376
"264572"	734.349168	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+ACN+Na"	64.015768
"1240902"	399.182468	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+ACN+Na"	64.015768
"1727958"	399.205993	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+NH4+HCOOH"	64.039293
"1189338"	134.711451333333	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+3Na"	68.967654
"1655953"	404.161388	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Na+HCOOH"	68.994688
"162812"	747.25244	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+2K-H"	76.91904
"611125"	1082.41914	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+2K-H"	76.91904
"1099659"	412.08574	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2K-H"	76.91904
"156996"	374.129858	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"2M+2K"	77.926316
"595673"	541.713208	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"3M+2K"	77.926316
"1083423"	206.546508	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2K"	77.926316
"1115254"	414.100292	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2K+H"	78.933592
"1350382"	414.187907	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+DMSO+H"	79.021207
"1016842"	418.227076	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2ACN+H"	83.060376
"1537155"	419.220708	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+IsoProp+Na+H"	84.054008
"1003973"	209.617176	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+2ACN+2H"	84.067652
"1602369"	420.135328	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+K+HCOOH"	84.968628
"1429609"	450.166838	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+H+CF3COOH"	115.000138
"1161962"	230.130451	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+3ACN+2H"	125.094202
"1712484"	467.193385	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+NH4+CF3COOH"	132.026685
"1648007"	472.14878	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+Na+CF3COOH"	136.98208
"1584751"	488.12272	"C07792"	"Naratriptan"	"C17H25N3O2S"	"335.1667"	"M+K+CF3COOH"	152.95602
"805276"	583.2795	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M"	0
"976620"	564.26111	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-H2O-H"	-19.01839
"65955"	387.845724	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M-3H"	-3.021828
"504785"	582.272224	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M-3H"	-3.021828
"894993"	193.419224	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-3H"	-3.021828
"12473"	582.272224	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M-2H"	-2.014552
"448023"	873.911974	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M-2H"	-2.014552
"825823"	290.632474	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-2H"	-2.014552
"89464"	1165.551724	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M-H"	-1.007276
"524284"	1748.831224	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M-H"	-1.007276
"905734"	582.272224	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-H"	-1.007276
"54276"	1182.578271	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M-2H+NH4"	16.019271
"499308"	1765.857771	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M-2H+NH4"	16.019271
"876016"	599.298771	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-2H+NH4"	16.019271
"40635"	1187.533666	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M-2H+Na"	20.974666
"483113"	1770.813166	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M-2H+Na"	20.974666
"853622"	604.254166	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-2H+Na"	20.974666
"1624247"	604.254166	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Na-2H"	20.974666
"97495"	600.260563	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M-H+Cl"	33.962126
"535114"	891.900313	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M-H+Cl"	33.962126
"931667"	308.620813	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-H+Cl"	33.962126
"272410"	1201.528402	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+Cl"	34.969402
"663737"	1784.807902	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+Cl"	34.969402
"1274074"	618.248902	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Cl"	34.969402
"23071"	1203.507606	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M-2H+K"	36.948606
"460444"	1786.787106	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M-2H+K"	36.948606
"835329"	620.228106	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-2H+K"	36.948606
"1565017"	620.228106	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+K-2H"	36.948606
"951811"	628.277694	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-H+HCOOH"	44.998194
"370023"	1211.557201	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+HCOOH-H"	44.998201
"356828"	1225.572851	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+Hac-H"	59.013851
"1505293"	642.293351	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Hac-H"	59.013851
"962625"	650.259651	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-H+NaCOOH"	66.980151
"123200"	618.248902	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+2Cl"	69.938804
"560936"	909.888652	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+2Cl"	69.938804
"1026455"	326.609152	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2Cl"	69.938804
"1241655"	662.198385	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Br"	78.918885
"1317238"	664.254372	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Cl+HCOOH"	80.974872
"1333640"	686.236329	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Cl+NaCOOH"	102.956829
"921416"	696.265086	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M-H+CF3COOH"	112.985586
"1302501"	732.241764	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Cl+CF3COOH"	148.962264
"1379567"	548.266824	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H-2H2O"	-35.012676
"1397066"	566.2768	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H-H2O"	-17.0027
"295658"	1167.566276	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+H"	1.007276
"686616"	1750.845776	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+H"	1.007276
"1362603"	584.286776	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H"	1.007276
"132938"	584.286776	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+2H"	2.014552
"573592"	875.926526	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+2H"	2.014552
"1047498"	292.647026	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2H"	2.014552
"212482"	389.860276	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+3H"	3.021828
"649856"	584.286776	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+3H"	3.021828
"1166887"	195.433776	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+3H"	3.021828
"426150"	1184.592823	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+NH4"	18.033823
"790068"	1767.872323	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+NH4"	18.033823
"1691138"	601.313323	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+NH4"	18.033823
"340147"	592.8000495	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+H+NH4"	19.041099
"736941"	884.4397995	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+H+NH4"	19.041099
"1490395"	301.1602995	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H+NH4"	19.041099
"403974"	1189.548218	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+Na"	22.989218
"763876"	1772.827718	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+Na"	22.989218
"1607599"	606.268718	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Na"	22.989218
"320917"	595.277747	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+H+Na"	23.996494
"716990"	886.917497	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+H+Na"	23.996494
"1467164"	303.637997	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H+Na"	23.996494
"1062592"	202.76109	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2H+Na"	25.00377
"1264269"	616.312986	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+CH3OH+H"	33.033486
"391361"	1205.522158	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+K"	38.963158
"751501"	1788.801658	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+K"	38.963158
"1553554"	622.242658	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+K"	38.963158
"308542"	603.264717	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+H+K"	39.970434
"697681"	894.904467	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+H+K"	39.970434
"1459156"	311.624967	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H+K"	39.970434
"241199"	1208.592826	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+ACN+H"	42.033826
"1219379"	625.313326	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+ACN+H"	42.033826
"1205081"	313.160301	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+ACN+2H"	43.041102
"201612"	1211.53016	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+2Na-H"	44.97116
"644084"	1794.80966	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+2Na-H"	44.97116
"1145776"	628.25066	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2Na-H"	44.97116
"186882"	606.268718	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+2Na"	45.978436
"626805"	897.908468	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+2Na"	45.978436
"1131047"	314.628968	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2Na"	45.978436
"1413350"	210.088404	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H+2Na"	46.985712
"1439384"	630.292246	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H+HCOOH"	47.012746
"234427"	611.30174	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+3H2O+2H"	56.04448
"1520057"	644.34429	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+IsoProp+H"	61.06479
"424007"	614.255688	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+Na+K"	61.952376
"783659"	905.895438	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+Na+K"	61.952376
"1677069"	322.615938	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Na+K"	61.952376
"264681"	1230.574768	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+ACN+Na"	64.015768
"1240318"	647.295268	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+ACN+Na"	64.015768
"1726891"	647.318793	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+NH4+HCOOH"	64.039293
"1189083"	217.415718	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+3Na"	68.967654
"1656063"	652.274188	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Na+HCOOH"	68.994688
"161829"	1243.47804	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+2K-H"	76.91904
"609049"	1826.75754	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+2K-H"	76.91904
"1099404"	660.19854	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2K-H"	76.91904
"156455"	622.242658	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"2M+2K"	77.926316
"596147"	913.882408	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"3M+2K"	77.926316
"1082479"	330.602908	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2K"	77.926316
"1113499"	662.213092	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2K+H"	78.933592
"1347331"	662.300707	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+DMSO+H"	79.021207
"1016952"	666.339876	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2ACN+H"	83.060376
"1533986"	667.333508	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+IsoProp+Na+H"	84.054008
"1003354"	333.673576	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+2ACN+2H"	84.067652
"1601749"	668.248128	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+K+HCOOH"	84.968628
"1429354"	698.279638	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+H+CF3COOH"	115.000138
"1162398"	354.186851	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+3ACN+2H"	125.094202
"1711985"	715.306185	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+NH4+CF3COOH"	132.026685
"1645931"	720.26158	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+Na+CF3COOH"	136.98208
"1584861"	736.23552	"C07798"	"Dihydroergotamine"	"C33H37N5O5"	"583.2795"	"M+K+CF3COOH"	152.95602
"815227"	344.1736	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M"	0
"983292"	325.15521	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-H2O-H"	-19.01839
"66065"	228.441790666667	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M-3H"	-3.021828
"505987"	343.166324	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M-3H"	-3.021828
"894374"	113.717257333333	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-3H"	-3.021828
"11490"	343.166324	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M-2H"	-2.014552
"453237"	515.253124	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M-2H"	-2.014552
"827026"	171.079524	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-2H"	-2.014552
"89209"	687.339924	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M-H"	-1.007276
"527673"	1031.513524	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M-H"	-1.007276
"909738"	343.166324	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-H"	-1.007276
"58032"	704.366471	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M-2H+NH4"	16.019271
"501122"	1048.540071	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M-2H+NH4"	16.019271
"877583"	360.192871	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-2H+NH4"	16.019271
"45485"	709.321866	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M-2H+Na"	20.974666
"486020"	1053.495466	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M-2H+Na"	20.974666
"859199"	365.148266	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-2H+Na"	20.974666
"1630191"	365.148266	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Na-2H"	20.974666
"100886"	361.154663	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M-H+Cl"	33.962126
"541542"	533.241463	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M-H+Cl"	33.962126
"935057"	189.067863	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-H+Cl"	33.962126
"275800"	723.316602	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+Cl"	34.969402
"661902"	1067.490202	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+Cl"	34.969402
"1274791"	379.143002	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Cl"	34.969402
"23181"	725.295806	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M-2H+K"	36.948606
"460554"	1069.469406	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M-2H+K"	36.948606
"836168"	381.122206	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-2H+K"	36.948606
"1567319"	381.122206	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+K-2H"	36.948606
"954109"	389.171794	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-H+HCOOH"	44.998194
"370133"	733.345401	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+HCOOH-H"	44.998201
"356209"	747.361051	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+Hac-H"	59.013851
"1505038"	403.187451	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Hac-H"	59.013851
"963828"	411.153751	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-H+NaCOOH"	66.980151
"121487"	379.143002	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+2Cl"	69.938804
"561046"	551.229802	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+2Cl"	69.938804
"1026929"	207.056202	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2Cl"	69.938804
"1241763"	423.092485	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Br"	78.918885
"1307863"	425.148472	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Cl+HCOOH"	80.974872
"1330465"	447.130429	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Cl+NaCOOH"	102.956829
"925169"	457.159186	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M-H+CF3COOH"	112.985586
"1294951"	493.135864	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Cl+CF3COOH"	148.962264
"1379674"	309.160924	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H-2H2O"	-35.012676
"1395713"	327.1709	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H-H2O"	-17.0027
"293576"	689.354476	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+H"	1.007276
"681621"	1033.528076	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+H"	1.007276
"1362712"	345.180876	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H"	1.007276
"134141"	345.180876	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+2H"	2.014552
"570420"	517.267676	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+2H"	2.014552
"1044691"	173.094076	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2H"	2.014552
"208217"	230.456342666667	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+3H"	3.021828
"649965"	345.180876	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+3H"	3.021828
"1166267"	115.731809333333	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+3H"	3.021828
"427350"	706.381023	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+NH4"	18.033823
"791270"	1050.554623	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+NH4"	18.033823
"1690883"	362.207423	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+NH4"	18.033823
"338065"	353.6941495	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+H+NH4"	19.041099
"732676"	525.7809495	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+H+NH4"	19.041099
"1487589"	181.6073495	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H+NH4"	19.041099
"401896"	711.336418	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+Na"	22.989218
"763986"	1055.510018	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+Na"	22.989218
"1608802"	367.162818	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Na"	22.989218
"321027"	356.171847	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+H+Na"	23.996494
"718921"	528.258647	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+H+Na"	23.996494
"1469457"	184.085047	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H+Na"	23.996494
"1060515"	123.059123333333	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2H+Na"	25.00377
"1264379"	377.207086	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+CH3OH+H"	33.033486
"390983"	727.310358	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+K"	38.963158
"751611"	1071.483958	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+K"	38.963158
"1551477"	383.136758	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+K"	38.963158
"305369"	364.158817	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+H+K"	39.970434
"695603"	536.245617	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+H+K"	39.970434
"1454891"	192.072017	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H+K"	39.970434
"240214"	730.381026	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+ACN+H"	42.033826
"1214016"	386.207426	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+ACN+H"	42.033826
"1201181"	193.607351	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+ACN+2H"	43.041102
"202087"	733.31836	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+2Na-H"	44.97116
"643894"	1077.49196	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+2Na-H"	44.97116
"1144674"	389.14476	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2Na-H"	44.97116
"187600"	367.162818	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+2Na"	45.978436
"628140"	539.249618	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+2Na"	45.978436
"1129814"	195.076018	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2Na"	45.978436
"1412365"	130.386437333333	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H+2Na"	46.985712
"1440222"	391.186346	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H+HCOOH"	47.012746
"227729"	372.19584	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+3H2O+2H"	56.04448
"1519073"	405.23839	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+IsoProp+H"	61.06479
"423513"	375.149788	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+Na+K"	61.952376
"780849"	547.236588	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+Na+K"	61.952376
"1677909"	203.062988	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Na+K"	61.952376
"259324"	752.362968	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+ACN+Na"	64.015768
"1240310"	408.189368	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+ACN+Na"	64.015768
"1727001"	408.212893	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+NH4+HCOOH"	64.039293
"1189557"	137.713751333333	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+3Na"	68.967654
"1664681"	413.168288	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Na+HCOOH"	68.994688
"167409"	765.26624	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+2K-H"	76.91904
"610623"	1109.43984	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+2K-H"	76.91904
"1097686"	421.09264	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2K-H"	76.91904
"154865"	383.136758	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"2M+2K"	77.926316
"595162"	555.223558	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"3M+2K"	77.926316
"1081862"	211.049958	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2K"	77.926316
"1113612"	423.107192	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2K+H"	78.933592
"1348174"	423.194807	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+DMSO+H"	79.021207
"1017064"	427.233976	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2ACN+H"	83.060376
"1537746"	428.227608	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+IsoProp+Na+H"	84.054008
"1005171"	214.120626	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+2ACN+2H"	84.067652
"1602348"	429.142228	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+K+HCOOH"	84.968628
"1428736"	459.173738	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+H+CF3COOH"	115.000138
"1162426"	234.633901	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+3ACN+2H"	125.094202
"1712098"	476.200285	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+NH4+CF3COOH"	132.026685
"1648227"	481.15568	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+Na+CF3COOH"	136.98208
"1584971"	497.12962	"C07805"	"Formoterol"	"C19H24N2O4"	"344.1736"	"M+K+CF3COOH"	152.95602
"805496"	240.1474	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M"	0
"976475"	221.12901	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-H2O-H"	-19.01839
"66175"	159.090990666667	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M-3H"	-3.021828
"503179"	239.140124	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M-3H"	-3.021828
"893391"	79.0418573333333	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-3H"	-3.021828
"12329"	239.140124	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M-2H"	-2.014552
"452984"	359.213824	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M-2H"	-2.014552
"827136"	119.066424	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-2H"	-2.014552
"88223"	479.287524	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M-H"	-1.007276
"526689"	719.434924	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M-H"	-1.007276
"910453"	239.140124	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-H"	-1.007276
"59600"	496.314071	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M-2H+NH4"	16.019271
"500987"	736.461471	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M-2H+NH4"	16.019271
"875506"	256.166671	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-2H+NH4"	16.019271
"44865"	501.269466	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M-2H+Na"	20.974666
"484425"	741.416866	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M-2H+Na"	20.974666
"859309"	261.122066	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-2H+Na"	20.974666
"1631029"	261.122066	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Na-2H"	20.974666
"100996"	257.128463	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M-H+Cl"	33.962126
"541652"	377.202163	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M-H+Cl"	33.962126
"935167"	137.054763	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-H+Cl"	33.962126
"275910"	515.264202	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+Cl"	34.969402
"662863"	755.411602	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+Cl"	34.969402
"1274415"	275.116802	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Cl"	34.969402
"26571"	517.243406	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M-2H+K"	36.948606
"460664"	757.390806	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M-2H+K"	36.948606
"836278"	277.096006	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-2H+K"	36.948606
"1559767"	277.096006	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+K-2H"	36.948606
"950931"	285.145594	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-H+HCOOH"	44.998194
"369148"	525.293001	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+HCOOH-H"	44.998201
"356314"	539.308651	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+Hac-H"	59.013851
"1504052"	299.161251	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Hac-H"	59.013851
"965031"	307.127551	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-H+NaCOOH"	66.980151
"116129"	275.116802	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+2Cl"	69.938804
"552771"	395.190502	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+2Cl"	69.938804
"1022418"	155.043102	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2Cl"	69.938804
"1242239"	319.066285	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Br"	78.918885
"1307609"	321.122272	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Cl+HCOOH"	80.974872
"1330575"	343.104229	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Cl+NaCOOH"	102.956829
"924914"	353.132986	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M-H+CF3COOH"	112.985586
"1295061"	389.109664	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Cl+CF3COOH"	148.962264
"1378327"	205.134724	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H-2H2O"	-35.012676
"1395459"	223.1447	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H-H2O"	-17.0027
"292958"	481.302076	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+H"	1.007276
"679546"	721.449476	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+H"	1.007276
"1361730"	241.154676	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H"	1.007276
"135346"	241.154676	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+2H"	2.014552
"568344"	361.228376	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+2H"	2.014552
"1046261"	121.080976	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2H"	2.014552
"210515"	161.105542666667	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+3H"	3.021828
"647889"	241.154676	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+3H"	3.021828
"1164190"	81.0564093333333	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+3H"	3.021828
"427824"	498.328623	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+NH4"	18.033823
"792473"	738.476023	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+NH4"	18.033823
"1690993"	258.181223	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+NH4"	18.033823
"339268"	249.6679495	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+H+NH4"	19.041099
"731689"	369.7416495	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+H+NH4"	19.041099
"1483324"	129.5942495	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H+NH4"	19.041099
"397631"	503.284018	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+Na"	22.989218
"758627"	743.431418	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+Na"	22.989218
"1608912"	263.136618	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Na"	22.989218
"320043"	252.145647	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+H+Na"	23.996494
"719031"	372.219347	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+H+Na"	23.996494
"1470660"	132.071947	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H+Na"	23.996494
"1061719"	88.3837233333333	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2H+Na"	25.00377
"1265582"	273.180886	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+CH3OH+H"	33.033486
"392186"	519.257958	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+K"	38.963158
"752085"	759.405358	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+K"	38.963158
"1552315"	279.110558	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+K"	38.963158
"309853"	260.132617	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+H+K"	39.970434
"701180"	380.206317	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+H+K"	39.970434
"1452814"	140.058917	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H+K"	39.970434
"238503"	522.328626	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+ACN+H"	42.033826
"1213033"	282.181226	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+ACN+H"	42.033826
"1201291"	141.594251	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+ACN+2H"	43.041102
"199641"	525.26596	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+2Na-H"	44.97116
"643466"	765.41336	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+2Na-H"	44.97116
"1145634"	285.11856	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2Na-H"	44.97116
"186372"	263.136618	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+2Na"	45.978436
"628479"	383.210318	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+2Na"	45.978436
"1129559"	143.062918	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2Na"	45.978436
"1411500"	95.7110373333333	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H+2Na"	46.985712
"1441425"	287.160146	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H+HCOOH"	47.012746
"225653"	268.16964	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+3H2O+2H"	56.04448
"1518086"	301.21219	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+IsoProp+H"	61.06479
"419965"	271.123588	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+Na+K"	61.952376
"774398"	391.197288	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+Na+K"	61.952376
"1670728"	151.049888	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Na+K"	61.952376
"260527"	544.310568	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+ACN+Na"	64.015768
"1240783"	304.163168	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+ACN+Na"	64.015768
"1726503"	304.186693	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+NH4+HCOOH"	64.039293
"1189303"	103.038351333333	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+3Na"	68.967654
"1664912"	309.142088	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Na+HCOOH"	68.994688
"167519"	557.21384	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+2K-H"	76.91904
"610369"	797.36124	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+2K-H"	76.91904
"1097797"	317.06644	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2K-H"	76.91904
"153518"	279.110558	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"2M+2K"	77.926316
"596367"	399.184258	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"3M+2K"	77.926316
"1083434"	159.036858	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2K"	77.926316
"1111899"	319.080992	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2K+H"	78.933592
"1347919"	319.168607	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+DMSO+H"	79.021207
"1016080"	323.207776	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2ACN+H"	83.060376
"1537855"	324.201408	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+IsoProp+Na+H"	84.054008
"1005159"	162.107526	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+2ACN+2H"	84.067652
"1602091"	325.116028	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+K+HCOOH"	84.968628
"1429800"	355.147538	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+H+CF3COOH"	115.000138
"1162743"	182.620801	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+3ACN+2H"	125.094202
"1712677"	372.174085	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+NH4+CF3COOH"	132.026685
"1648337"	377.12948	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+Na+CF3COOH"	136.98208
"1585081"	393.10342	"C07807"	"Pirbuterol"	"C12H20N2O3"	"240.1474"	"M+K+CF3COOH"	152.95602
"808886"	391.1784	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M"	0
"980230"	372.16001	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-H2O-H"	-19.01839
"67378"	259.778324	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M-3H"	-3.021828
"503896"	390.171124	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M-3H"	-3.021828
"892404"	129.385524	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-3H"	-3.021828
"12073"	390.171124	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M-2H"	-2.014552
"452365"	585.760324	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M-2H"	-2.014552
"829433"	194.581924	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-2H"	-2.014552
"89064"	781.349524	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M-H"	-1.007276
"526799"	1172.527924	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M-H"	-1.007276
"903506"	390.171124	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-H"	-1.007276
"59709"	798.376071	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M-2H+NH4"	16.019271
"500003"	1189.554471	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M-2H+NH4"	16.019271
"876709"	407.197671	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-2H+NH4"	16.019271
"43883"	803.331466	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M-2H+Na"	20.974666
"484902"	1194.509866	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M-2H+Na"	20.974666
"860512"	412.153066	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-2H+Na"	20.974666
"1632233"	412.153066	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Na-2H"	20.974666
"104386"	408.159463	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M-H+Cl"	33.962126
"541762"	603.748663	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M-H+Cl"	33.962126
"931997"	212.570263	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-H+Cl"	33.962126
"274927"	817.326202	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+Cl"	34.969402
"663337"	1208.504602	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+Cl"	34.969402
"1275375"	426.147802	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Cl"	34.969402
"23401"	819.305406	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M-2H+K"	36.948606
"458951"	1210.483806	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M-2H+K"	36.948606
"839668"	428.127006	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-2H+K"	36.948606
"1560970"	428.127006	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+K-2H"	36.948606
"948854"	436.176594	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-H+HCOOH"	44.998194
"366342"	827.355001	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+HCOOH-H"	44.998201
"357153"	841.370651	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+Hac-H"	59.013851
"1505255"	450.192251	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Hac-H"	59.013851
"966235"	458.158551	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-H+NaCOOH"	66.980151
"117332"	426.147802	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+2Cl"	69.938804
"555433"	621.737002	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+2Cl"	69.938804
"1025323"	230.558602	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2Cl"	69.938804
"1244535"	470.097285	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Br"	78.918885
"1309177"	472.153272	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Cl+HCOOH"	80.974872
"1327405"	494.135229	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Cl+NaCOOH"	102.956829
"922837"	504.163986	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M-H+CF3COOH"	112.985586
"1295171"	540.140664	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Cl+CF3COOH"	148.962264
"1379530"	356.165724	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H-2H2O"	-35.012676
"1395569"	374.1757	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H-H2O"	-17.0027
"295621"	783.364076	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+H"	1.007276
"686583"	1174.542476	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+H"	1.007276
"1365975"	392.185676	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H"	1.007276
"138739"	392.185676	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+2H"	2.014552
"570641"	587.774876	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+2H"	2.014552
"1049652"	196.596476	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2H"	2.014552
"217188"	261.792876	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+3H"	3.021828
"650188"	392.185676	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+3H"	3.021828
"1166126"	131.400076	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+3H"	3.021828
"426474"	800.390623	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+NH4"	18.033823
"792584"	1191.569023	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+NH4"	18.033823
"1690006"	409.212223	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+NH4"	18.033823
"338284"	400.6989495	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+H+NH4"	19.041099
"731799"	596.2881495	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+H+NH4"	19.041099
"1482341"	205.1097495	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H+NH4"	19.041099
"396645"	805.346018	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+Na"	22.989218
"758732"	1196.524418	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+Na"	22.989218
"1606829"	414.167618	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Na"	22.989218
"316867"	403.176647	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+H+Na"	23.996494
"714762"	598.765847	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+H+Na"	23.996494
"1469676"	207.587447	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H+Na"	23.996494
"1060735"	138.72739	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2H+Na"	25.00377
"1268973"	424.211886	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+CH3OH+H"	33.033486
"391930"	821.319958	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+K"	38.963158
"748549"	1212.498358	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+K"	38.963158
"1549509"	430.141558	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+K"	38.963158
"304495"	411.163617	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+H+K"	39.970434
"698010"	606.752817	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+H+K"	39.970434
"1452924"	215.574417	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H+K"	39.970434
"236060"	824.390626	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+ACN+H"	42.033826
"1210592"	433.212226	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+ACN+H"	42.033826
"1200308"	217.109751	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+ACN+2H"	43.041102
"199751"	827.32796	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+2Na-H"	44.97116
"642228"	1218.50636	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+2Na-H"	44.97116
"1145620"	436.14956	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2Na-H"	44.97116
"187209"	414.167618	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+2Na"	45.978436
"627868"	609.756818	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+2Na"	45.978436
"1130397"	218.578418	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2Na"	45.978436
"1412338"	146.054704	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H+2Na"	46.985712
"1441535"	438.191146	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H+HCOOH"	47.012746
"229043"	419.20064	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+3H2O+2H"	56.04448
"1519289"	452.24319	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+IsoProp+H"	61.06479
"422627"	422.154588	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+Na+K"	61.952376
"777788"	617.743788	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+Na+K"	61.952376
"1674118"	226.565388	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Na+K"	61.952376
"262823"	846.372568	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+ACN+Na"	64.015768
"1240278"	455.194168	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+ACN+Na"	64.015768
"1723330"	455.217693	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+NH4+HCOOH"	64.039293
"1186496"	153.382018	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+3Na"	68.967654
"1662957"	460.173088	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Na+HCOOH"	68.994688
"170909"	859.27584	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+2K-H"	76.91904
"610477"	1250.45424	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+2K-H"	76.91904
"1096812"	468.09744	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2K-H"	76.91904
"152893"	430.141558	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"2M+2K"	77.926316
"596115"	625.730758	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"3M+2K"	77.926316
"1083421"	234.552358	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2K"	77.926316
"1112738"	470.111992	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2K+H"	78.933592
"1349123"	470.199607	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+DMSO+H"	79.021207
"1016190"	474.238776	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2ACN+H"	83.060376
"1537965"	475.232408	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+IsoProp+Na+H"	84.054008
"1003561"	237.623026	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+2ACN+2H"	84.067652
"1601715"	476.147028	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+K+HCOOH"	84.968628
"1427488"	506.178538	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+H+CF3COOH"	115.000138
"1162733"	258.136301	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+3ACN+2H"	125.094202
"1711467"	523.205085	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+NH4+CF3COOH"	132.026685
"1648446"	528.16048	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+Na+CF3COOH"	136.98208
"1585191"	544.13442	"C07809"	"Flavoxate"	"C24H25NO4"	"391.1784"	"M+K+CF3COOH"	152.95602
"806809"	317.2593	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M"	0
"977060"	298.24091	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-H2O-H"	-19.01839
"65302"	210.498924	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M-3H"	-3.021828
"502826"	316.252024	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M-3H"	-3.021828
"892514"	104.745824	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-3H"	-3.021828
"9997"	316.252024	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M-2H"	-2.014552
"453203"	474.881674	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M-2H"	-2.014552
"831729"	157.622374	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-2H"	-2.014552
"90631"	633.511324	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M-H"	-1.007276
"528002"	950.770624	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M-H"	-1.007276
"905802"	316.252024	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-H"	-1.007276
"56902"	650.537871	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M-2H+NH4"	16.019271
"499749"	967.797171	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M-2H+NH4"	16.019271
"877547"	333.278571	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-2H+NH4"	16.019271
"44722"	655.493266	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M-2H+Na"	20.974666
"485012"	972.752566	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M-2H+Na"	20.974666
"861715"	338.233966	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-2H+Na"	20.974666
"1630885"	338.233966	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Na-2H"	20.974666
"104496"	334.240363	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M-H+Cl"	33.962126
"542965"	492.870013	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M-H+Cl"	33.962126
"933200"	175.610713	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-H+Cl"	33.962126
"276130"	669.488002	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+Cl"	34.969402
"662354"	986.747302	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+Cl"	34.969402
"1277673"	352.228702	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Cl"	34.969402
"24604"	671.467206	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M-2H+K"	36.948606
"461977"	988.726506	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M-2H+K"	36.948606
"838685"	354.207906	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-2H+K"	36.948606
"1562173"	354.207906	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+K-2H"	36.948606
"949328"	362.257494	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-H+HCOOH"	44.998194
"368273"	679.516801	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+HCOOH-H"	44.998201
"354345"	693.532451	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+Hac-H"	59.013851
"1502084"	376.273151	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Hac-H"	59.013851
"965249"	384.239451	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-H+NaCOOH"	66.980151
"117442"	352.228702	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+2Cl"	69.938804
"554813"	510.858352	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+2Cl"	69.938804
"1025433"	193.599052	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2Cl"	69.938804
"1241728"	396.178185	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Br"	78.918885
"1308557"	398.234172	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Cl+HCOOH"	80.974872
"1327515"	420.216129	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Cl+NaCOOH"	102.956829
"922583"	430.244886	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M-H+CF3COOH"	112.985586
"1295281"	466.221564	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Cl+CF3COOH"	148.962264
"1379276"	282.246624	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H-2H2O"	-35.012676
"1395315"	300.2566	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H-H2O"	-17.0027
"296824"	635.525876	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+H"	1.007276
"686329"	952.785176	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+H"	1.007276
"1366448"	318.266576	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H"	1.007276
"138849"	318.266576	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+2H"	2.014552
"570751"	476.896226	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+2H"	2.014552
"1050490"	159.636926	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2H"	2.014552
"216569"	212.513476	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+3H"	3.021828
"650298"	318.266576	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+3H"	3.021828
"1167329"	106.760376	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+3H"	3.021828
"426219"	652.552423	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+NH4"	18.033823
"794879"	969.811723	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+NH4"	18.033823
"1687929"	335.293123	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+NH4"	18.033823
"336206"	326.7798495	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+H+NH4"	19.041099
"731909"	485.4094995	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+H+NH4"	19.041099
"1483540"	168.1501995	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H+NH4"	19.041099
"393106"	657.507818	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+Na"	22.989218
"756653"	974.767118	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+Na"	22.989218
"1604753"	340.248518	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Na"	22.989218
"318068"	329.257547	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+H+Na"	23.996494
"711590"	487.887197	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+H+Na"	23.996494
"1465407"	170.627897	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H+Na"	23.996494
"1054160"	114.08769	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2H+Na"	25.00377
"1260334"	350.292786	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+CH3OH+H"	33.033486
"390581"	673.481758	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+K"	38.963158
"749753"	990.741058	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+K"	38.963158
"1549617"	356.222458	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+K"	38.963158
"304605"	337.244517	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+H+K"	39.970434
"698120"	495.874167	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+H+K"	39.970434
"1448659"	178.614867	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H+K"	39.970434
"237259"	676.552426	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+ACN+H"	42.033826
"1210336"	359.293126	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+ACN+H"	42.033826
"1200419"	180.150201	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+ACN+2H"	43.041102
"199857"	679.48976	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+2Na-H"	44.97116
"638322"	996.74906	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+2Na-H"	44.97116
"1145118"	362.23046	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2Na-H"	44.97116
"187922"	340.248518	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+2Na"	45.978436
"625416"	498.878168	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+2Na"	45.978436
"1129288"	181.618868	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2Na"	45.978436
"1407342"	121.415004	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H+2Na"	46.985712
"1436176"	364.272046	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H+HCOOH"	47.012746
"226964"	345.28154	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+3H2O+2H"	56.04448
"1521586"	378.32409	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+IsoProp+H"	61.06479
"423102"	348.235488	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+Na+K"	61.952376
"777898"	506.865138	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+Na+K"	61.952376
"1670948"	189.605838	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Na+K"	61.952376
"255279"	698.534368	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+ACN+Na"	64.015768
"1239659"	381.275068	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+ACN+Na"	64.015768
"1724533"	381.298593	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+NH4+HCOOH"	64.039293
"1181139"	128.742318	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+3Na"	68.967654
"1661972"	386.253988	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Na+HCOOH"	68.994688
"167739"	711.43764	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+2K-H"	76.91904
"610587"	1028.69694	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+2K-H"	76.91904
"1096925"	394.17834	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2K-H"	76.91904
"150816"	356.222458	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"2M+2K"	77.926316
"593303"	514.852108	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"3M+2K"	77.926316
"1081460"	197.592808	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2K"	77.926316
"1112116"	396.192892	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2K+H"	78.933592
"1344492"	396.280507	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+DMSO+H"	79.021207
"1015207"	400.319676	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2ACN+H"	83.060376
"1535889"	401.313308	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+IsoProp+Na+H"	84.054008
"1003428"	200.663476	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+2ACN+2H"	84.067652
"1602067"	402.227928	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+K+HCOOH"	84.968628
"1424319"	432.259438	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+H+CF3COOH"	115.000138
"1162654"	221.176751	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+3ACN+2H"	125.094202
"1712063"	449.285985	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+NH4+CF3COOH"	132.026685
"1648556"	454.24138	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+Na+CF3COOH"	136.98208
"1585301"	470.21532	"C07811"	"Hexocyclium"	"C20H33N2O"	"317.2593"	"M+K+CF3COOH"	152.95602
"805826"	520.2228	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M"	0
"977170"	501.20441	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-H2O-H"	-19.01839
"64319"	345.807924	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M-3H"	-3.021828
"503048"	519.215524	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M-3H"	-3.021828
"893717"	172.400324	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-3H"	-3.021828
"12293"	519.215524	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M-2H"	-2.014552
"453315"	779.326924	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M-2H"	-2.014552
"830747"	259.104124	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-2H"	-2.014552
"91469"	1039.438324	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M-H"	-1.007276
"525925"	1559.661124	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M-H"	-1.007276
"904817"	519.215524	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-H"	-1.007276
"59927"	1056.464871	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M-2H+NH4"	16.019271
"501682"	1576.687671	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M-2H+NH4"	16.019271
"876931"	536.242071	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-2H+NH4"	16.019271
"43738"	1061.420266	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M-2H+Na"	20.974666
"485122"	1581.643066	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M-2H+Na"	20.974666
"861825"	541.197466	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-2H+Na"	20.974666
"1630265"	541.197466	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Na-2H"	20.974666
"104606"	537.203863	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M-H+Cl"	33.962126
"543075"	797.315263	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M-H+Cl"	33.962126
"936956"	277.092463	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-H+Cl"	33.962126
"276240"	1075.415002	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+Cl"	34.969402
"665380"	1595.637802	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+Cl"	34.969402
"1277783"	555.192202	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Cl"	34.969402
"22528"	1077.394206	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M-2H+K"	36.948606
"460994"	1597.617006	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M-2H+K"	36.948606
"838795"	557.171406	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-2H+K"	36.948606
"1561190"	557.171406	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+K-2H"	36.948606
"949438"	565.220994	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-H+HCOOH"	44.998194
"368383"	1085.443801	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+HCOOH-H"	44.998201
"351175"	1099.459451	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+Hac-H"	59.013851
"1502194"	579.236651	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Hac-H"	59.013851
"962807"	587.202951	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-H+NaCOOH"	66.980151
"120832"	555.192202	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+2Cl"	69.938804
"555653"	815.303602	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+2Cl"	69.938804
"1024451"	295.080802	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2Cl"	69.938804
"1242932"	599.141685	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Br"	78.918885
"1312678"	601.197672	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Cl+HCOOH"	80.974872
"1327625"	623.179629	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Cl+NaCOOH"	102.956829
"925609"	633.208386	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M-H+CF3COOH"	112.985586
"1294298"	669.185064	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Cl+CF3COOH"	148.962264
"1379386"	485.210124	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H-2H2O"	-35.012676
"1395425"	503.2201	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H-H2O"	-17.0027
"296205"	1041.452876	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+H"	1.007276
"687531"	1561.675676	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+H"	1.007276
"1364613"	521.230076	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H"	1.007276
"138959"	521.230076	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+2H"	2.014552
"570861"	781.341476	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+2H"	2.014552
"1050964"	261.118676	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2H"	2.014552
"217408"	347.822476	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+3H"	3.021828
"650408"	521.230076	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+3H"	3.021828
"1165253"	174.414876	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+3H"	3.021828
"425239"	1058.479423	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+NH4"	18.033823
"793896"	1578.702223	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+NH4"	18.033823
"1688039"	538.256623	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+NH4"	18.033823
"335223"	529.7433495	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+H+NH4"	19.041099
"727645"	789.8547495	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+H+NH4"	19.041099
"1481463"	269.6319495	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H+NH4"	19.041099
"393581"	1063.434818	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+Na"	22.989218
"754698"	1583.657618	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+Na"	22.989218
"1604862"	543.212018	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Na"	22.989218
"317085"	532.221047	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+H+Na"	23.996494
"713519"	792.332447	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+H+Na"	23.996494
"1466610"	272.109647	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H+Na"	23.996494
"1054393"	181.74219	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2H+Na"	25.00377
"1260444"	553.256286	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+CH3OH+H"	33.033486
"390691"	1079.408758	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+K"	38.963158
"747674"	1599.631558	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+K"	38.963158
"1549727"	559.185958	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+K"	38.963158
"303622"	540.208017	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+H+K"	39.970434
"699323"	800.319417	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+H+K"	39.970434
"1450955"	280.096617	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H+K"	39.970434
"237737"	1082.479426	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+ACN+H"	42.033826
"1212633"	562.256626	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+ACN+H"	42.033826
"1199434"	281.631951	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+ACN+2H"	43.041102
"200333"	1085.41676	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+2Na-H"	44.97116
"638432"	1605.63956	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+2Na-H"	44.97116
"1145477"	565.19396	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2Na-H"	44.97116
"187061"	543.212018	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+2Na"	45.978436
"627959"	803.323418	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+2Na"	45.978436
"1129763"	283.100618	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2Na"	45.978436
"1410732"	189.069504	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H+2Na"	46.985712
"1440658"	567.235546	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H+HCOOH"	47.012746
"232539"	548.24504	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+3H2O+2H"	56.04448
"1522789"	581.28759	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+IsoProp+H"	61.06479
"423214"	551.198988	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+Na+K"	61.952376
"780195"	811.310388	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+Na+K"	61.952376
"1672152"	291.087588	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Na+K"	61.952376
"258668"	1104.461368	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+ACN+Na"	64.015768
"1234663"	584.238568	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+ACN+Na"	64.015768
"1724643"	584.262093	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+NH4+HCOOH"	64.039293
"1179790"	196.396818	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+3Na"	68.967654
"1662082"	589.217488	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Na+HCOOH"	68.994688
"168942"	1117.36464	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+2K-H"	76.91904
"611792"	1637.58744	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+2K-H"	76.91904
"1098736"	597.14184	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2K-H"	76.91904
"156030"	559.185958	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"2M+2K"	77.926316
"595835"	819.297358	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"3M+2K"	77.926316
"1082665"	299.074558	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2K"	77.926316
"1113319"	599.156392	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2K+H"	78.933592
"1346788"	599.244007	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+DMSO+H"	79.021207
"1017870"	603.283176	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2ACN+H"	83.060376
"1537456"	604.276808	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+IsoProp+Na+H"	84.054008
"1003539"	302.145226	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+2ACN+2H"	84.067652
"1602055"	605.191428	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+K+HCOOH"	84.968628
"1425522"	635.222938	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+H+CF3COOH"	115.000138
"1162669"	322.658501	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+3ACN+2H"	125.094202
"1712174"	652.249485	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+NH4+CF3COOH"	132.026685
"1646481"	657.20488	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+Na+CF3COOH"	136.98208
"1585411"	673.17882	"C07813"	"Beclomethasone dipropionate;Beclometasone dipropionate"	"C28H37ClO7"	"520.2228"	"M+K+CF3COOH"	152.95602
"805936"	275.1521	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M"	0
"975458"	256.13371	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-H2O-H"	-19.01839
"63335"	182.427457333333	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M-3H"	-3.021828
"503731"	274.144824	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M-3H"	-3.021828
"891641"	90.7100906666667	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-3H"	-3.021828
"10215"	274.144824	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M-2H"	-2.014552
"450872"	411.720874	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M-2H"	-2.014552
"829763"	136.568774	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-2H"	-2.014552
"89392"	549.296924	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M-H"	-1.007276
"527129"	824.449024	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M-H"	-1.007276
"902740"	274.144824	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-H"	-1.007276
"52748"	566.323471	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M-2H+NH4"	16.019271
"500334"	841.475571	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M-2H+NH4"	16.019271
"875582"	291.171371	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-2H+NH4"	16.019271
"44577"	571.278866	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M-2H+Na"	20.974666
"485960"	846.430966	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M-2H+Na"	20.974666
"860842"	296.126766	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-2H+Na"	20.974666
"1628188"	296.126766	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Na-2H"	20.974666
"105810"	292.133163	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M-H+Cl"	33.962126
"544279"	429.709213	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M-H+Cl"	33.962126
"937066"	154.557113	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-H+Cl"	33.962126
"276350"	585.273602	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+Cl"	34.969402
"663304"	860.425702	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+Cl"	34.969402
"1274613"	310.121502	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Cl"	34.969402
"20451"	587.252806	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M-2H+K"	36.948606
"458188"	862.404906	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M-2H+K"	36.948606
"837811"	312.100706	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-2H+K"	36.948606
"1556275"	312.100706	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+K-2H"	36.948606
"944446"	320.150294	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-H+HCOOH"	44.998194
"362294"	595.302401	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+HCOOH-H"	44.998201
"351649"	609.318051	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+Hac-H"	59.013851
"1496836"	334.165951	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Hac-H"	59.013851
"959514"	342.132251	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-H+NaCOOH"	66.980151
"119849"	310.121502	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+2Cl"	69.938804
"553940"	447.697552	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+2Cl"	69.938804
"1022373"	172.545452	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2Cl"	69.938804
"1242312"	354.070985	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Br"	78.918885
"1310237"	356.126972	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Cl+HCOOH"	80.974872
"1330651"	378.108929	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Cl+NaCOOH"	102.956829
"925355"	388.137686	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M-H+CF3COOH"	112.985586
"1294408"	424.114364	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Cl+CF3COOH"	148.962264
"1378403"	240.139424	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H-2H2O"	-35.012676
"1395535"	258.1494	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H-H2O"	-17.0027
"296194"	551.311476	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+H"	1.007276
"686913"	826.463576	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+H"	1.007276
"1366180"	276.159376	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H"	1.007276
"137975"	276.159376	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+2H"	2.014552
"568785"	413.735426	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+2H"	2.014552
"1048158"	138.583326	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2H"	2.014552
"213143"	184.442009333333	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+3H"	3.021828
"650518"	276.159376	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+3H"	3.021828
"1164268"	92.7246426666667	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+3H"	3.021828
"429721"	568.338023	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+NH4"	18.033823
"790727"	843.490123	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+NH4"	18.033823
"1684869"	293.185923	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+NH4"	18.033823
"333147"	284.6726495	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+H+NH4"	19.041099
"728848"	422.2486995	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+H+NH4"	19.041099
"1481573"	147.0965995	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H+NH4"	19.041099
"394055"	573.293418	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+Na"	22.989218
"755900"	848.445518	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+Na"	22.989218
"1606063"	298.141318	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Na"	22.989218
"317194"	287.150347	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+H+Na"	23.996494
"712900"	424.726397	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+H+Na"	23.996494
"1462466"	149.574297	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H+Na"	23.996494
"1056683"	100.051956666667	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2H+Na"	25.00377
"1261646"	308.185586	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+CH3OH+H"	33.033486
"385696"	589.267358	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+K"	38.963158
"747783"	864.419458	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+K"	38.963158
"1549837"	314.115258	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+K"	38.963158
"304825"	295.137317	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+H+K"	39.970434
"698340"	432.713367	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+H+K"	39.970434
"1451065"	157.561267	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H+K"	39.970434
"241855"	592.338026	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+ACN+H"	42.033826
"1215658"	317.185926	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+ACN+H"	42.033826
"1198448"	159.096601	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+ACN+2H"	43.041102
"199714"	595.27536	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+2Na-H"	44.97116
"637449"	870.42746	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+2Na-H"	44.97116
"1144245"	320.12326	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2Na-H"	44.97116
"184254"	298.141318	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+2Na"	45.978436
"626853"	435.717368	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+2Na"	45.978436
"1128415"	160.565268	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2Na"	45.978436
"1407927"	107.379270666667	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H+2Na"	46.985712
"1439675"	322.164846	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H+HCOOH"	47.012746
"230828"	303.17434	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+3H2O+2H"	56.04448
"1518524"	336.21689	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+IsoProp+H"	61.06479
"423201"	306.128288	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+Na+K"	61.952376
"777025"	443.704338	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+Na+K"	61.952376
"1670075"	168.552238	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Na+K"	61.952376
"257684"	614.319968	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+ACN+Na"	64.015768
"1234773"	339.167868	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+ACN+Na"	64.015768
"1721473"	339.191393	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+NH4+HCOOH"	64.039293
"1179536"	114.706584666667	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+3Na"	68.967654
"1663285"	344.146788	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Na+HCOOH"	68.994688
"167958"	627.22324	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+2K-H"	76.91904
"611416"	902.37534	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+2K-H"	76.91904
"1097510"	352.07114	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2K-H"	76.91904
"152130"	314.115258	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"2M+2K"	77.926316
"592786"	451.691308	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"3M+2K"	77.926316
"1081316"	176.539208	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2K"	77.926316
"1111607"	354.085692	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2K+H"	78.933592
"1348358"	354.173307	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+DMSO+H"	79.021207
"1017616"	358.212476	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2ACN+H"	83.060376
"1537566"	359.206108	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+IsoProp+Na+H"	84.054008
"1002556"	179.609876	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+2ACN+2H"	84.067652
"1601434"	360.120728	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+K+HCOOH"	84.968628
"1424539"	390.152238	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+H+CF3COOH"	115.000138
"1162533"	200.123151	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+3ACN+2H"	125.094202
"1712488"	407.178785	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+NH4+CF3COOH"	132.026685
"1648778"	412.13418	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+Na+CF3COOH"	136.98208
"1585521"	428.10812	"C07814"	"Homatropine"	"C16H21NO3"	"275.1521"	"M+K+CF3COOH"	152.95602
"807139"	444.1582	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M"	0
"977390"	425.13981	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-H2O-H"	-19.01839
"64902"	295.098190666667	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M-3H"	-3.021828
"503484"	443.150924	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M-3H"	-3.021828
"892844"	147.045457333333	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-3H"	-3.021828
"12511"	443.150924	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M-2H"	-2.014552
"454260"	665.230024	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M-2H"	-2.014552
"830238"	221.071824	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-2H"	-2.014552
"90231"	887.309124	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M-H"	-1.007276
"528332"	1331.467324	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M-H"	-1.007276
"901757"	443.150924	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-H"	-1.007276
"57231"	904.335671	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M-2H+NH4"	16.019271
"498621"	1348.493871	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M-2H+NH4"	16.019271
"875329"	460.177471	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-2H+NH4"	16.019271
"44322"	909.291066	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M-2H+Na"	20.974666
"486073"	1353.449266	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M-2H+Na"	20.974666
"860951"	465.132866	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-2H+Na"	20.974666
"1628298"	465.132866	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Na-2H"	20.974666
"106649"	461.139263	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M-H+Cl"	33.962126
"544025"	683.218363	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M-H+Cl"	33.962126
"937176"	239.060163	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-H+Cl"	33.962126
"273180"	923.285802	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+Cl"	34.969402
"664507"	1367.444002	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+Cl"	34.969402
"1274723"	479.127602	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Cl"	34.969402
"19467"	925.265006	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M-2H+K"	36.948606
"459027"	1369.423206	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M-2H+K"	36.948606
"835734"	481.106806	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-2H+K"	36.948606
"1557034"	481.106806	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+K-2H"	36.948606
"945649"	489.156394	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-H+HCOOH"	44.998194
"362160"	933.314601	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+HCOOH-H"	44.998201
"353216"	947.330251	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+Hac-H"	59.013851
"1497310"	503.172051	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Hac-H"	59.013851
"959016"	511.138351	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-H+NaCOOH"	66.980151
"118866"	479.127602	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+2Cl"	69.938804
"554414"	701.206702	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+2Cl"	69.938804
"1023941"	257.048502	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2Cl"	69.938804
"1241813"	523.077085	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Br"	78.918885
"1304287"	525.133072	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Cl+HCOOH"	80.974872
"1320668"	547.115029	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Cl+NaCOOH"	102.956829
"914162"	557.143786	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M-H+CF3COOH"	112.985586
"1291963"	593.120464	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Cl+CF3COOH"	148.962264
"1373771"	409.145524	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H-2H2O"	-35.012676
"1396009"	427.1555	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H-H2O"	-17.0027
"293144"	889.323676	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+H"	1.007276
"687023"	1333.481876	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+H"	1.007276
"1360821"	445.165476	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H"	1.007276
"132616"	445.165476	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+2H"	2.014552
"566825"	667.244576	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+2H"	2.014552
"1045352"	223.086376	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2H"	2.014552
"214346"	297.112742666667	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+3H"	3.021828
"651721"	445.165476	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+3H"	3.021828
"1163527"	149.060009333333	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+3H"	3.021828
"426552"	906.350223	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+NH4"	18.033823
"791930"	1350.508423	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+NH4"	18.033823
"1684250"	462.192023	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+NH4"	18.033823
"333257"	453.6787495	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+H+NH4"	19.041099
"727865"	675.7578495	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+H+NH4"	19.041099
"1481683"	231.5996495	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H+NH4"	19.041099
"393800"	911.305618	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+Na"	22.989218
"755401"	1355.463818	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+Na"	22.989218
"1604715"	467.147418	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Na"	22.989218
"317305"	456.156447	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+H+Na"	23.996494
"707785"	678.235547	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+H+Na"	23.996494
"1464638"	234.077347	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H+Na"	23.996494
"1054970"	156.387323333333	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2H+Na"	25.00377
"1258110"	477.191686	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+CH3OH+H"	33.033486
"385806"	927.279558	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+K"	38.963158
"745707"	1371.437758	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+K"	38.963158
"1547760"	483.121358	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+K"	38.963158
"303842"	464.143417	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+H+K"	39.970434
"698450"	686.222517	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+H+K"	39.970434
"1450082"	242.064317	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H+K"	39.970434
"241965"	930.350226	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+ACN+H"	42.033826
"1213945"	486.192026	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+ACN+H"	42.033826
"1198922"	243.599651	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+ACN+2H"	43.041102
"200916"	933.28756	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+2Na-H"	44.97116
"637559"	1377.44576	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+2Na-H"	44.97116
"1144720"	489.12936	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2Na-H"	44.97116
"185821"	467.147418	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+2Na"	45.978436
"627694"	689.226518	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+2Na"	45.978436
"1127432"	245.068318	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2Na"	45.978436
"1409130"	163.714637333333	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H+2Na"	46.985712
"1440514"	491.170946	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H+HCOOH"	47.012746
"231668"	472.18044	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+3H2O+2H"	56.04448
"1518634"	505.22299	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+IsoProp+H"	61.06479
"423554"	475.134388	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+Na+K"	61.952376
"778228"	697.213488	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+Na+K"	61.952376
"1672371"	253.055288	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Na+K"	61.952376
"258889"	952.332168	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+ACN+Na"	64.015768
"1229415"	508.173968	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+ACN+Na"	64.015768
"1722676"	508.197493	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+NH4+HCOOH"	64.039293
"1180010"	171.041951333333	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+3Na"	68.967654
"1664489"	513.152888	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Na+HCOOH"	68.994688
"170253"	965.23544	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+2K-H"	76.91904
"610192"	1409.39364	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+2K-H"	76.91904
"1095797"	521.07724	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2K-H"	76.91904
"153333"	483.121358	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"2M+2K"	77.926316
"593625"	705.200458	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"3M+2K"	77.926316
"1081416"	261.042258	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2K"	77.926316
"1109167"	523.091792	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2K+H"	78.933592
"1348468"	523.179407	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+DMSO+H"	79.021207
"1016998"	527.218576	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2ACN+H"	83.060376
"1534754"	528.212208	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+IsoProp+Na+H"	84.054008
"1002301"	264.112926	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+2ACN+2H"	84.067652
"1602477"	529.126828	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+K+HCOOH"	84.968628
"1423556"	559.158338	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+H+CF3COOH"	115.000138
"1162237"	284.626201	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+3ACN+2H"	125.094202
"1711786"	576.184885	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+NH4+CF3COOH"	132.026685
"1649739"	581.14028	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+Na+CF3COOH"	136.98208
"1585631"	597.11422	"C07815"	"Fluticasone"	"C22H27F3O4S"	"444.1582"	"M+K+CF3COOH"	152.95602
"803240"	426.1365	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M"	0
"975435"	407.11811	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-H2O-H"	-19.01839
"63676"	283.083724	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M-3H"	-3.021828
"502898"	425.129224	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M-3H"	-3.021828
"891860"	141.038224	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-3H"	-3.021828
"13714"	425.129224	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M-2H"	-2.014552
"448901"	638.197474	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M-2H"	-2.014552
"825607"	212.060974	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-2H"	-2.014552
"89975"	851.265724	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M-H"	-1.007276
"527346"	1277.402224	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M-H"	-1.007276
"900774"	425.129224	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-H"	-1.007276
"59528"	868.292271	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M-2H+NH4"	16.019271
"499094"	1294.428771	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M-2H+NH4"	16.019271
"876531"	442.155771	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-2H+NH4"	16.019271
"45524"	873.247666	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M-2H+Na"	20.974666
"486178"	1299.384166	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M-2H+Na"	20.974666
"859970"	447.111166	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-2H+Na"	20.974666
"1628408"	447.111166	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Na-2H"	20.974666
"101656"	443.117563	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M-H+Cl"	33.962126
"542311"	656.185813	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M-H+Cl"	33.962126
"934732"	230.049313	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-H+Cl"	33.962126
"269279"	887.242402	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+Cl"	34.969402
"660724"	1313.378902	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+Cl"	34.969402
"1273250"	461.105902	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Cl"	34.969402
"16290"	889.221606	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M-2H+K"	36.948606
"456011"	1315.358106	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M-2H+K"	36.948606
"833169"	463.085106	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-2H+K"	36.948606
"1556781"	463.085106	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+K-2H"	36.948606
"944666"	471.134694	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-H+HCOOH"	44.998194
"362149"	897.271201	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+HCOOH-H"	44.998201
"352233"	911.286851	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+Hac-H"	59.013851
"1497420"	485.150351	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Hac-H"	59.013851
"959492"	493.116651	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-H+NaCOOH"	66.980151
"118612"	461.105902	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+2Cl"	69.938804
"554524"	674.174152	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+2Cl"	69.938804
"1021985"	248.037652	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2Cl"	69.938804
"1241923"	505.055385	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Br"	78.918885
"1304366"	507.111372	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Cl+HCOOH"	80.974872
"1320296"	529.093329	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Cl+NaCOOH"	102.956829
"912084"	539.122086	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M-H+CF3COOH"	112.985586
"1291344"	575.098764	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Cl+CF3COOH"	148.962264
"1368170"	391.123824	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H-2H2O"	-35.012676
"1392475"	409.1338	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H-H2O"	-17.0027
"291066"	853.280276	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+H"	1.007276
"686769"	1279.416776	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+H"	1.007276
"1360567"	427.143776	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H"	1.007276
"127259"	427.143776	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+2H"	2.014552
"567908"	640.212026	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+2H"	2.014552
"1045462"	214.075526	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2H"	2.014552
"213363"	285.098276	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+3H"	3.021828
"651831"	427.143776	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+3H"	3.021828
"1164489"	143.052776	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+3H"	3.021828
"426662"	870.306823	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+NH4"	18.033823
"789852"	1296.443323	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+NH4"	18.033823
"1685089"	444.170323	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+NH4"	18.033823
"332272"	435.6570495	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+H+NH4"	19.041099
"729067"	648.7252995	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+H+NH4"	19.041099
"1478512"	222.5887995	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H+NH4"	19.041099
"393301"	875.262218	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+Na"	22.989218
"758189"	1301.398718	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+Na"	22.989218
"1603247"	449.125718	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Na"	22.989218
"317416"	438.134747	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+H+Na"	23.996494
"707769"	651.202997	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+H+Na"	23.996494
"1464019"	225.066497	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H+Na"	23.996494
"1053865"	150.38009	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2H+Na"	25.00377
"1258949"	459.169986	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+CH3OH+H"	33.033486
"385916"	891.236158	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+K"	38.963158
"743630"	1317.372658	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+K"	38.963158
"1543495"	465.099658	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+K"	38.963158
"305043"	446.121717	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+H+K"	39.970434
"701477"	659.189967	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+H+K"	39.970434
"1455663"	233.053467	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H+K"	39.970434
"240983"	894.306826	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+ACN+H"	42.033826
"1214781"	468.170326	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+ACN+H"	42.033826
"1198668"	234.588801	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+ACN+2H"	43.041102
"198108"	897.24416	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+2Na-H"	44.97116
"638762"	1323.38066	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+2Na-H"	44.97116
"1145685"	471.10766	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2Na-H"	44.97116
"188244"	449.125718	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+2Na"	45.978436
"628323"	662.193968	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+2Na"	45.978436
"1128998"	236.057468	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2Na"	45.978436
"1409968"	157.707404	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H+2Na"	46.985712
"1440989"	473.149246	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H+HCOOH"	47.012746
"234330"	454.15874	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+3H2O+2H"	56.04448
"1518380"	487.20129	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+IsoProp+H"	61.06479
"415153"	457.112688	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+Na+K"	61.952376
"777243"	670.180938	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+Na+K"	61.952376
"1671386"	244.044438	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Na+K"	61.952376
"257904"	916.288768	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+ACN+Na"	64.015768
"1228431"	490.152268	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+ACN+Na"	64.015768
"1718411"	490.175793	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+NH4+HCOOH"	64.039293
"1181579"	165.034718	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+3Na"	68.967654
"1664965"	495.131188	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Na+HCOOH"	68.994688
"170363"	929.19204	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+2K-H"	76.91904
"610666"	1355.32854	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+2K-H"	76.91904
"1098088"	503.05554	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2K-H"	76.91904
"150161"	465.099658	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"2M+2K"	77.926316
"586442"	678.167908	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"3M+2K"	77.926316
"1072047"	252.031408	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2K"	77.926316
"1110734"	505.070092	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2K+H"	78.933592
"1346754"	505.157707	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+DMSO+H"	79.021207
"1018565"	509.196876	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2ACN+H"	83.060376
"1534864"	510.190508	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+IsoProp+Na+H"	84.054008
"999122"	255.102076	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+2ACN+2H"	84.067652
"1599096"	511.105128	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+K+HCOOH"	84.968628
"1425852"	541.136638	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+H+CF3COOH"	115.000138
"1162342"	275.615351	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+3ACN+2H"	125.094202
"1711410"	558.163185	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+NH4+CF3COOH"	132.026685
"1649809"	563.11858	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+Na+CF3COOH"	136.98208
"1585741"	579.09252	"C07816"	"Mometasone"	"C22H28Cl2O4"	"426.1365"	"M+K+CF3COOH"	152.95602
"804079"	520.1419	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M"	0
"977610"	501.12351	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-H2O-H"	-19.01839
"63781"	345.753990666667	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M-3H"	-3.021828
"503220"	519.134624	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M-3H"	-3.021828
"893063"	172.373357333333	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-3H"	-3.021828
"13824"	519.134624	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M-2H"	-2.014552
"450102"	779.205574	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M-2H"	-2.014552
"825717"	259.063674	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-2H"	-2.014552
"87898"	1039.276524	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M-H"	-1.007276
"528550"	1559.418424	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M-H"	-1.007276
"899791"	519.134624	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-H"	-1.007276
"58543"	1056.303071	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M-2H+NH4"	16.019271
"501879"	1576.444971	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M-2H+NH4"	16.019271
"878952"	536.161171	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-2H+NH4"	16.019271
"46607"	1061.258466	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M-2H+Na"	20.974666
"486736"	1581.400366	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M-2H+Na"	20.974666
"861172"	541.116566	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-2H+Na"	20.974666
"1628518"	541.116566	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Na-2H"	20.974666
"101766"	537.122963	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M-H+Cl"	33.962126
"541327"	797.193913	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M-H+Cl"	33.962126
"931561"	277.052013	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-H+Cl"	33.962126
"269389"	1075.253202	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+Cl"	34.969402
"660224"	1595.395102	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+Cl"	34.969402
"1274211"	555.111302	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Cl"	34.969402
"16075"	1077.232406	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M-2H+K"	36.948606
"456000"	1597.374306	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M-2H+K"	36.948606
"833199"	557.090506	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-2H+K"	36.948606
"1555959"	557.090506	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+K-2H"	36.948606
"945869"	565.140094	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-H+HCOOH"	44.998194
"362623"	1085.282001	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+HCOOH-H"	44.998201
"351615"	1099.297651	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+Hac-H"	59.013851
"1496802"	579.155751	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Hac-H"	59.013851
"958789"	587.122051	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-H+NaCOOH"	66.980151
"119086"	555.111302	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+2Cl"	69.938804
"554634"	815.182252	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+2Cl"	69.938804
"1022339"	295.040352	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2Cl"	69.938804
"1244466"	599.060785	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Br"	78.918885
"1304602"	601.116772	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Cl+HCOOH"	80.974872
"1320040"	623.098729	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Cl+NaCOOH"	102.956829
"914382"	633.127486	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M-H+CF3COOH"	112.985586
"1288657"	669.104164	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Cl+CF3COOH"	148.962264
"1367182"	485.129224	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H-2H2O"	-35.012676
"1383103"	503.1392	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H-H2O"	-17.0027
"293365"	1041.291076	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+H"	1.007276
"686879"	1561.432976	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+H"	1.007276
"1360312"	521.149176	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H"	1.007276
"127369"	521.149176	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+2H"	2.014552
"566927"	781.220126	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+2H"	2.014552
"1045572"	261.078226	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2H"	2.014552
"213111"	347.768542666667	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+3H"	3.021828
"650847"	521.149176	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+3H"	3.021828
"1162823"	174.387909333333	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+3H"	3.021828
"424950"	1058.317623	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+NH4"	18.033823
"788867"	1578.459523	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+NH4"	18.033823
"1687387"	538.175723	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+NH4"	18.033823
"334570"	529.6624495	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+H+NH4"	19.041099
"725900"	789.7333995	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+H+NH4"	19.041099
"1481905"	269.5914995	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H+NH4"	19.041099
"395116"	1063.273018	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+Na"	22.989218
"757205"	1583.414918	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+Na"	22.989218
"1605304"	543.131118	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Na"	22.989218
"316435"	532.140147	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+H+Na"	23.996494
"708123"	792.211097	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+H+Na"	23.996494
"1462307"	272.069197	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H+Na"	23.996494
"1053081"	181.715223333333	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2H+Na"	25.00377
"1257843"	553.175386	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+CH3OH+H"	33.033486
"386026"	1079.246958	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+K"	38.963158
"742647"	1599.388858	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+K"	38.963158
"1543240"	559.105058	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+K"	38.963158
"304059"	540.127117	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+H+K"	39.970434
"696483"	800.198067	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+H+K"	39.970434
"1455772"	280.056167	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H+K"	39.970434
"242185"	1082.317626	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+ACN+H"	42.033826
"1214893"	562.175726	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+ACN+H"	42.033826
"1198048"	281.591501	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+ACN+2H"	43.041102
"199311"	1085.25496	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+2Na-H"	44.97116
"639601"	1605.39686	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+2Na-H"	44.97116
"1146907"	565.11306	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2Na-H"	44.97116
"188538"	543.131118	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+2Na"	45.978436
"628166"	803.202068	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+2Na"	45.978436
"1129108"	283.060168	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2Na"	45.978436
"1408620"	189.042537333333	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H+2Na"	46.985712
"1441099"	567.154646	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H+HCOOH"	47.012746
"232980"	548.16414	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+3H2O+2H"	56.04448
"1516668"	581.20669	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+IsoProp+H"	61.06479
"419636"	551.118088	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+Na+K"	61.952376
"780632"	811.189038	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+Na+K"	61.952376
"1670403"	291.047138	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Na+K"	61.952376
"256921"	1104.299568	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+ACN+Na"	64.015768
"1229634"	584.157668	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+ACN+Na"	64.015768
"1716333"	584.181193	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+NH4+HCOOH"	64.039293
"1180959"	196.369851333333	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+3Na"	68.967654
"1665075"	589.136588	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Na+HCOOH"	68.994688
"170473"	1117.20284	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+2K-H"	76.91904
"610414"	1637.34474	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+2K-H"	76.91904
"1098198"	597.06094	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2K-H"	76.91904
"150271"	559.105058	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"2M+2K"	77.926316
"583272"	819.176008	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"3M+2K"	77.926316
"1069964"	299.034108	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2K"	77.926316
"1109747"	599.075492	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2K+H"	78.933592
"1345406"	599.163107	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+DMSO+H"	79.021207
"1017216"	603.202276	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2ACN+H"	83.060376
"1534974"	604.195908	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+IsoProp+Na+H"	84.054008
"997045"	302.104776	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+2ACN+2H"	84.067652
"1599935"	605.110528	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+K+HCOOH"	84.968628
"1425962"	635.142038	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+H+CF3COOH"	115.000138
"1161723"	322.618051	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+3ACN+2H"	125.094202
"1712122"	652.168585	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+NH4+CF3COOH"	132.026685
"1649718"	657.12398	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+Na+CF3COOH"	136.98208
"1585851"	673.09792	"C07817"	"Mometasone furoate"	"C27H30Cl2O6"	"520.1419"	"M+K+CF3COOH"	152.95602
"803096"	340.1913	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M"	0
"975534"	321.17291	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-H2O-H"	-19.01839
"63642"	225.786924	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M-3H"	-3.021828
"503366"	339.184024	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M-3H"	-3.021828
"893173"	112.389824	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-3H"	-3.021828
"11747"	339.184024	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M-2H"	-2.014552
"448026"	509.279674	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M-2H"	-2.014552
"823641"	169.088374	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-2H"	-2.014552
"85819"	679.375324	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M-H"	-1.007276
"525380"	1019.566624	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M-H"	-1.007276
"895734"	339.184024	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-H"	-1.007276
"58289"	696.401871	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M-2H+NH4"	16.019271
"501747"	1036.593171	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M-2H+NH4"	16.019271
"879305"	356.210571	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-2H+NH4"	16.019271
"43921"	701.357266	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M-2H+Na"	20.974666
"485549"	1041.548566	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M-2H+Na"	20.974666
"860189"	361.165966	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-2H+Na"	20.974666
"1626442"	361.165966	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Na-2H"	20.974666
"99689"	357.172363	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M-H+Cl"	33.962126
"535968"	527.268013	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M-H+Cl"	33.962126
"927109"	187.076713	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-H+Cl"	33.962126
"267175"	715.352002	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+Cl"	34.969402
"659951"	1055.543302	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+Cl"	34.969402
"1272854"	375.160702	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Cl"	34.969402
"15799"	717.331206	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M-2H+K"	36.948606
"455772"	1057.522506	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M-2H+K"	36.948606
"834242"	377.139906	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-2H+K"	36.948606
"1556264"	377.139906	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+K-2H"	36.948606
"943101"	385.189494	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-H+HCOOH"	44.998194
"361879"	725.380801	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+HCOOH-H"	44.998201
"345723"	739.396451	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+Hac-H"	59.013851
"1492925"	399.205151	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Hac-H"	59.013851
"958938"	407.171451	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-H+NaCOOH"	66.980151
"119196"	375.160702	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+2Cl"	69.938804
"554380"	545.256352	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+2Cl"	69.938804
"1024272"	205.065052	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2Cl"	69.938804
"1241943"	419.110185	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Br"	78.918885
"1304346"	421.166172	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Cl+HCOOH"	80.974872
"1319935"	443.148129	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Cl+NaCOOH"	102.956829
"914128"	453.176886	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M-H+CF3COOH"	112.985586
"1289052"	489.153564	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Cl+CF3COOH"	148.962264
"1367170"	305.178624	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H-2H2O"	-35.012676
"1382773"	323.1886	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H-H2O"	-17.0027
"293475"	681.389876	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+H"	1.007276
"686625"	1021.581176	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+H"	1.007276
"1357870"	341.198576	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H"	1.007276
"127479"	341.198576	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+2H"	2.014552
"567037"	511.294226	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+2H"	2.014552
"1047505"	171.102926	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2H"	2.014552
"211398"	227.801476	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+3H"	3.021828
"647677"	341.198576	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+3H"	3.021828
"1164706"	114.404376	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+3H"	3.021828
"425060"	698.416423	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+NH4"	18.033823
"787884"	1038.607723	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+NH4"	18.033823
"1687497"	358.225123	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+NH4"	18.033823
"333587"	349.7118495	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+H+NH4"	19.041099
"726010"	519.8074995	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+H+NH4"	19.041099
"1479829"	179.6161995	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H+NH4"	19.041099
"395226"	703.371818	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+Na"	22.989218
"757316"	1043.563118	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+Na"	22.989218
"1605414"	363.180518	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Na"	22.989218
"316545"	352.189547	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+H+Na"	23.996494
"709326"	522.285197	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+H+Na"	23.996494
"1464603"	182.093897	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H+Na"	23.996494
"1054569"	121.73169	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2H+Na"	25.00377
"1259894"	373.224786	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+CH3OH+H"	33.033486
"379936"	719.345758	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+K"	38.963158
"743850"	1059.537058	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+K"	38.963158
"1542986"	379.154458	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+K"	38.963158
"301254"	360.176517	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+H+K"	39.970434
"695500"	530.272167	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+H+K"	39.970434
"1449319"	190.080867	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H+K"	39.970434
"241200"	722.416426	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+ACN+H"	42.033826
"1215003"	382.225126	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+ACN+H"	42.033826
"1199978"	191.616201	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+ACN+2H"	43.041102
"195049"	725.35376	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+2Na-H"	44.97116
"632421"	1065.54506	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+2Na-H"	44.97116
"1146592"	385.16246	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2Na-H"	44.97116
"187979"	363.180518	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+2Na"	45.978436
"628455"	533.276168	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+2Na"	45.978436
"1126666"	193.084868	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2Na"	45.978436
"1406907"	129.059004	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H+2Na"	46.985712
"1439022"	387.204046	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H+HCOOH"	47.012746
"233090"	368.21354	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+3H2O+2H"	56.04448
"1515684"	401.25609	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+IsoProp+H"	61.06479
"416466"	371.167488	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+Na+K"	61.952376
"776367"	541.263138	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+Na+K"	61.952376
"1670510"	201.071838	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Na+K"	61.952376
"257031"	744.398368	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+ACN+Na"	64.015768
"1230833"	404.207068	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+ACN+Na"	64.015768
"1715350"	404.230593	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+NH4+HCOOH"	64.039293
"1180702"	136.386318	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+3Na"	68.967654
"1661537"	409.185988	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Na+HCOOH"	68.994688
"167303"	757.30164	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+2K-H"	76.91904
"612625"	1097.49294	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+2K-H"	76.91904
"1098672"	417.11034	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2K-H"	76.91904
"150381"	379.154458	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"2M+2K"	77.926316
"583382"	549.250108	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"3M+2K"	77.926316
"1068983"	209.058808	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2K"	77.926316
"1109856"	419.124892	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2K+H"	78.933592
"1346609"	419.212507	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+DMSO+H"	79.021207
"1016960"	423.251676	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2ACN+H"	83.060376
"1533991"	424.245308	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+IsoProp+Na+H"	84.054008
"997155"	212.129476	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+2ACN+2H"	84.067652
"1599316"	425.159928	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+K+HCOOH"	84.968628
"1426072"	455.191438	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+H+CF3COOH"	115.000138
"1162197"	232.642751	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+3ACN+2H"	125.094202
"1711988"	472.217985	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+NH4+CF3COOH"	132.026685
"1649863"	477.17338	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+Na+CF3COOH"	136.98208
"1585961"	493.14732	"C07818"	"Mepenzolate"	"C21H26NO3"	"340.1913"	"M+K+CF3COOH"	152.95602
"804299"	254.1015	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M"	0
"976737"	235.08311	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-H2O-H"	-19.01839
"64365"	168.393724	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M-3H"	-3.021828
"504289"	253.094224	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M-3H"	-3.021828
"892919"	83.693224	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-3H"	-3.021828
"10764"	253.094224	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M-2H"	-2.014552
"448136"	380.144974	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M-2H"	-2.014552
"825937"	126.043474	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-2H"	-2.014552
"85929"	507.195724	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M-H"	-1.007276
"524396"	761.297224	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M-H"	-1.007276
"895915"	253.094224	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-H"	-1.007276
"60586"	524.222271	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M-2H+NH4"	16.019271
"501857"	778.323771	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M-2H+NH4"	16.019271
"878930"	270.120771	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-2H+NH4"	16.019271
"45124"	529.177666	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M-2H+Na"	20.974666
"482498"	783.279166	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M-2H+Na"	20.974666
"859205"	275.076166	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-2H+Na"	20.974666
"1623271"	275.076166	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Na-2H"	20.974666
"97612"	271.082563	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M-H+Cl"	33.962126
"539358"	398.133313	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M-H+Cl"	33.962126
"927096"	144.031813	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-H+Cl"	33.962126
"267166"	543.172402	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+Cl"	34.969402
"662028"	797.273902	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+Cl"	34.969402
"1272818"	289.070902	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Cl"	34.969402
"16987"	545.151606	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M-2H+K"	36.948606
"458735"	799.253106	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M-2H+K"	36.948606
"835080"	291.050106	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-2H+K"	36.948606
"1555698"	291.050106	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+K-2H"	36.948606
"943042"	299.099694	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-H+HCOOH"	44.998194
"362352"	553.201201	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+HCOOH-H"	44.998201
"347089"	567.216851	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+Hac-H"	59.013851
"1493373"	313.115351	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Hac-H"	59.013851
"960545"	321.081651	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-H+NaCOOH"	66.980151
"119305"	289.070902	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+2Cl"	69.938804
"556678"	416.121652	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+2Cl"	69.938804
"1026569"	162.020152	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2Cl"	69.938804
"1245782"	333.020385	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Br"	78.918885
"1304578"	335.076372	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Cl+HCOOH"	80.974872
"1320619"	357.058329	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Cl+NaCOOH"	102.956829
"913873"	367.087086	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M-H+CF3COOH"	112.985586
"1289966"	403.063764	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Cl+CF3COOH"	148.962264
"1368011"	219.088824	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H-2H2O"	-35.012676
"1384531"	237.0988	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H-H2O"	-17.0027
"294677"	509.210276	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+H"	1.007276
"686005"	763.311776	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+H"	1.007276
"1360167"	255.108776	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H"	1.007276
"129776"	255.108776	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+2H"	2.014552
"568243"	382.159526	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+2H"	2.014552
"1046886"	128.058026	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2H"	2.014552
"210413"	170.408276	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+3H"	3.021828
"647787"	255.108776	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+3H"	3.021828
"1167004"	85.707776	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+3H"	3.021828
"425535"	526.236823	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+NH4"	18.033823
"786167"	780.338323	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+NH4"	18.033823
"1687608"	272.135323	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+NH4"	18.033823
"335889"	263.6220495	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+H+NH4"	19.041099
"728309"	390.6727995	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+H+NH4"	19.041099
"1484314"	136.5712995	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H+NH4"	19.041099
"397526"	531.192218	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+Na"	22.989218
"757426"	785.293718	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+Na"	22.989218
"1604064"	277.090718	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Na"	22.989218
"316655"	266.099747	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+H+Na"	23.996494
"708465"	393.150497	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+H+Na"	23.996494
"1462891"	139.048997	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H+Na"	23.996494
"1054808"	93.03509	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2H+Na"	25.00377
"1259277"	287.134986	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+CH3OH+H"	33.033486
"381872"	547.166158	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+K"	38.963158
"746152"	801.267658	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+K"	38.963158
"1547110"	293.064658	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+K"	38.963158
"305377"	274.086717	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+H+K"	39.970434
"695612"	401.137467	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+H+K"	39.970434
"1452713"	147.035967	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H+K"	39.970434
"239125"	550.236826	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+ACN+H"	42.033826
"1214020"	296.135326	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+ACN+H"	42.033826
"1197903"	148.571301	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+ACN+2H"	43.041102
"200631"	553.17416	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+2Na-H"	44.97116
"642012"	807.27566	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+2Na-H"	44.97116
"1146256"	299.07266	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2Na-H"	44.97116
"188087"	277.090718	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+2Na"	45.978436
"627774"	404.141468	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+2Na"	45.978436
"1126776"	150.039968	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2Na"	45.978436
"1410298"	100.362404	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H+2Na"	46.985712
"1445296"	301.114246	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H+HCOOH"	47.012746
"233689"	282.12374	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+3H2O+2H"	56.04448
"1519076"	315.16629	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+IsoProp+H"	61.06479
"418763"	285.077688	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+Na+K"	61.952376
"778667"	412.128438	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+Na+K"	61.952376
"1676091"	158.026938	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Na+K"	61.952376
"262611"	572.218768	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+ACN+Na"	64.015768
"1233131"	318.117268	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+ACN+Na"	64.015768
"1717649"	318.140793	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+NH4+HCOOH"	64.039293
"1180085"	107.689718	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+3Na"	68.967654
"1661647"	323.096188	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Na+HCOOH"	68.994688
"167413"	585.12204	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+2K-H"	76.91904
"610996"	839.22354	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+2K-H"	76.91904
"1097324"	331.02054	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2K-H"	76.91904
"153772"	293.064658	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"2M+2K"	77.926316
"585678"	420.115408	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"3M+2K"	77.926316
"1069458"	166.013908	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2K"	77.926316
"1109602"	333.035092	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2K+H"	78.933592
"1345990"	333.122707	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+DMSO+H"	79.021207
"1017431"	337.161876	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2ACN+H"	83.060376
"1531910"	338.155508	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+IsoProp+Na+H"	84.054008
"991797"	169.084576	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+2ACN+2H"	84.067652
"1589582"	339.070128	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+K+HCOOH"	84.968628
"1423990"	369.101638	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+H+CF3COOH"	115.000138
"1160479"	189.597851	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+3ACN+2H"	125.094202
"1710393"	386.128185	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+NH4+CF3COOH"	132.026685
"1642764"	391.08358	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+Na+CF3COOH"	136.98208
"1586071"	407.05752	"C07819"	"Dyphylline;Diprophylline"	"C10H14N4O4"	"254.1015"	"M+K+CF3COOH"	152.95602
"813158"	303.1019	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M"	0
"977942"	284.08351	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-H2O-H"	-19.01839
"63996"	201.060657333333	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M-3H"	-3.021828
"503081"	302.094624	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M-3H"	-3.021828
"895459"	100.026690666667	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-3H"	-3.021828
"13061"	302.094624	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M-2H"	-2.014552
"450433"	453.645574	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M-2H"	-2.014552
"823861"	150.543674	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-2H"	-2.014552
"83852"	605.196524	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M-H"	-1.007276
"522320"	908.298424	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M-H"	-1.007276
"897082"	302.094624	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-H"	-1.007276
"60696"	622.223071	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M-2H+NH4"	16.019271
"500871"	925.324971	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M-2H+NH4"	16.019271
"874053"	319.121171	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-2H+NH4"	16.019271
"44870"	627.178466	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M-2H+Na"	20.974666
"485524"	930.280366	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M-2H+Na"	20.974666
"858222"	324.076566	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-2H+Na"	20.974666
"1626661"	324.076566	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Na-2H"	20.974666
"96628"	320.082963	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M-H+Cl"	33.962126
"539468"	471.633913	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M-H+Cl"	33.962126
"927872"	168.532013	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-H+Cl"	33.962126
"267647"	641.173202	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+Cl"	34.969402
"660677"	944.275102	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+Cl"	34.969402
"1273116"	338.071302	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Cl"	34.969402
"21109"	643.152406	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M-2H+K"	36.948606
"458482"	946.254306	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M-2H+K"	36.948606
"837378"	340.050506	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-2H+K"	36.948606
"1556365"	340.050506	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+K-2H"	36.948606
"943642"	348.100094	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-H+HCOOH"	44.998194
"362590"	651.202001	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+HCOOH-H"	44.998201
"346831"	665.217651	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+Hac-H"	59.013851
"1493119"	362.115751	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Hac-H"	59.013851
"959923"	370.082051	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-H+NaCOOH"	66.980151
"112489"	338.071302	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+2Cl"	69.938804
"554600"	489.622252	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+2Cl"	69.938804
"1024857"	186.520352	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2Cl"	69.938804
"1244071"	382.020785	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Br"	78.918885
"1306521"	384.076772	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Cl+HCOOH"	80.974872
"1320489"	406.058729	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Cl+NaCOOH"	102.956829
"912160"	416.087486	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M-H+CF3COOH"	112.985586
"1289105"	452.064164	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Cl+CF3COOH"	148.962264
"1367671"	268.089224	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H-2H2O"	-35.012676
"1383435"	286.0992	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H-H2O"	-17.0027
"283120"	607.211076	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+H"	1.007276
"688303"	910.312976	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+H"	1.007276
"1361371"	304.109176	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H"	1.007276
"130979"	304.109176	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+2H"	2.014552
"569446"	455.660126	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+2H"	2.014552
"1048089"	152.558226	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2H"	2.014552
"213804"	203.075209333333	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+3H"	3.021828
"647896"	304.109176	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+3H"	3.021828
"1167112"	102.041242666667	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+3H"	3.021828
"426009"	624.237623	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+NH4"	18.033823
"785913"	927.339523	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+NH4"	18.033823
"1686625"	321.135723	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+NH4"	18.033823
"337093"	312.6224495	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+H+NH4"	19.041099
"730606"	464.1733995	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+H+NH4"	19.041099
"1484425"	161.0714995	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H+NH4"	19.041099
"399824"	629.193018	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+Na"	22.989218
"757537"	932.294918	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+Na"	22.989218
"1603811"	326.091118	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Na"	22.989218
"317129"	315.100147	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+H+Na"	23.996494
"709912"	466.651097	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+H+Na"	23.996494
"1463003"	163.549197	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H+Na"	23.996494
"1055526"	109.368556666667	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2H+Na"	25.00377
"1260483"	336.135386	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+CH3OH+H"	33.033486
"385262"	645.166958	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+K"	38.963158
"749541"	948.268858	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+K"	38.963158
"1543938"	342.065058	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+K"	38.963158
"299291"	323.087117	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+H+K"	39.970434
"692806"	474.638067	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+H+K"	39.970434
"1450635"	171.536167	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H+K"	39.970434
"238511"	648.237626	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+ACN+H"	42.033826
"1211946"	345.135726	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+ACN+H"	42.033826
"1198377"	173.071501	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+ACN+2H"	43.041102
"201469"	651.17496	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+2Na-H"	44.97116
"643230"	954.27686	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+2Na-H"	44.97116
"1145881"	348.07306	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2Na-H"	44.97116
"186617"	326.091118	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+2Na"	45.978436
"620100"	477.642068	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+2Na"	45.978436
"1129075"	174.540168	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2Na"	45.978436
"1410774"	116.695870666667	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H+2Na"	46.985712
"1444881"	350.114646	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H+HCOOH"	47.012746
"228937"	331.12414	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+3H2O+2H"	56.04448
"1517001"	364.16669	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+IsoProp+H"	61.06479
"416689"	334.078088	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+Na+K"	61.952376
"777684"	485.629038	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+Na+K"	61.952376
"1676930"	182.527138	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Na+K"	61.952376
"261627"	670.219568	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+ACN+Na"	64.015768
"1231057"	367.117668	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+ACN+Na"	64.015768
"1715567"	367.141193	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+NH4+HCOOH"	64.039293
"1179832"	124.023184666667	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+3Na"	68.967654
"1655193"	372.096588	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Na+HCOOH"	68.994688
"169348"	683.12284	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+2K-H"	76.91904
"611350"	986.22474	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+2K-H"	76.91904
"1095977"	380.02094	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2K-H"	76.91904
"150602"	342.065058	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"2M+2K"	77.926316
"590165"	493.616008	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"3M+2K"	77.926316
"1081238"	190.514108	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2K"	77.926316
"1111538"	382.035492	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2K+H"	78.933592
"1346099"	382.123107	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+DMSO+H"	79.021207
"1016813"	386.162276	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2ACN+H"	83.060376
"1535301"	387.155908	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+IsoProp+Na+H"	84.054008
"998468"	193.584776	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+2ACN+2H"	84.067652
"1595160"	388.070528	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+K+HCOOH"	84.968628
"1424100"	418.102038	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+H+CF3COOH"	115.000138
"1158767"	214.098051	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+3ACN+2H"	125.094202
"1710503"	435.128585	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+NH4+CF3COOH"	132.026685
"1649316"	440.08398	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+Na+CF3COOH"	136.98208
"1586181"	456.05792	"C07825"	"Flumazenil"	"C15H14FN3O3"	"303.1019"	"M+K+CF3COOH"	152.95602
"813269"	210.1004	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M"	0
"980240"	191.08201	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-H2O-H"	-19.01839
"67388"	139.059657333333	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M-3H"	-3.021828
"504026"	209.093124	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M-3H"	-3.021828
"893869"	69.0261906666667	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-3H"	-3.021828
"7704"	209.093124	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M-2H"	-2.014552
"447263"	314.143324	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M-2H"	-2.014552
"821785"	104.042924	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-2H"	-2.014552
"83964"	419.193524	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M-H"	-1.007276
"520242"	629.293924	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M-H"	-1.007276
"905699"	209.093124	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-H"	-1.007276
"58986"	436.220071	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M-2H+NH4"	16.019271
"501103"	646.320471	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M-2H+NH4"	16.019271
"878783"	226.119671	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-2H+NH4"	16.019271
"44980"	441.175466	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M-2H+Na"	20.974666
"482354"	651.275866	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M-2H+Na"	20.974666
"860155"	231.075066	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-2H+Na"	20.974666
"1626770"	231.075066	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Na-2H"	20.974666
"96738"	227.081463	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M-H+Cl"	33.962126
"534959"	332.131663	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M-H+Cl"	33.962126
"927861"	122.031263	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-H+Cl"	33.962126
"267632"	455.170202	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+Cl"	34.969402
"661883"	665.270602	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+Cl"	34.969402
"1274285"	245.069802	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Cl"	34.969402
"24499"	457.149406	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M-2H+K"	36.948606
"458956"	667.249806	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M-2H+K"	36.948606
"837488"	247.049006	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-2H+K"	36.948606
"1557695"	247.049006	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+K-2H"	36.948606
"945211"	255.098594	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-H+HCOOH"	44.998194
"363064"	465.199001	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+HCOOH-H"	44.998201
"348036"	479.214651	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+Hac-H"	59.013851
"1493958"	269.114251	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Hac-H"	59.013851
"960402"	277.080551	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-H+NaCOOH"	66.980151
"112966"	245.069802	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+2Cl"	69.938804
"554346"	350.120002	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+2Cl"	69.938804
"1027885"	140.019602	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2Cl"	69.938804
"1244180"	289.019285	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Br"	78.918885
"1308453"	291.075272	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Cl+HCOOH"	80.974872
"1320962"	313.057229	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Cl+NaCOOH"	102.956829
"913365"	323.085986	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M-H+CF3COOH"	112.985586
"1289704"	359.062664	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Cl+CF3COOH"	148.962264
"1371154"	175.087724	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H-2H2O"	-35.012676
"1387557"	193.0977	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H-H2O"	-17.0027
"284688"	421.208076	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+H"	1.007276
"686227"	631.308476	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+H"	1.007276
"1361117"	211.107676	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H"	1.007276
"132182"	211.107676	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+2H"	2.014552
"569556"	316.157876	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+2H"	2.014552
"1046012"	106.057476	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2H"	2.014552
"213914"	141.074209333333	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+3H"	3.021828
"651286"	211.107676	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+3H"	3.021828
"1168316"	71.0407426666667	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+3H"	3.021828
"427576"	438.234623	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+NH4"	18.033823
"786145"	648.335023	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+NH4"	18.033823
"1686733"	228.134223	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+NH4"	18.033823
"332824"	219.6209495	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+H+NH4"	19.041099
"728528"	324.6711495	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+H+NH4"	19.041099
"1485629"	114.5707495	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H+NH4"	19.041099
"394828"	443.190018	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+Na"	22.989218
"758740"	653.290418	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+Na"	22.989218
"1603799"	233.089618	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Na"	22.989218
"315534"	222.098647	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+H+Na"	23.996494
"708929"	327.148847	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+H+Na"	23.996494
"1463842"	117.048447	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H+Na"	23.996494
"1054175"	78.3680566666667	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2H+Na"	25.00377
"1261322"	243.133886	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+CH3OH+H"	33.033486
"385372"	459.163958	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+K"	38.963158
"750745"	669.264358	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+K"	38.963158
"1546235"	249.063558	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+K"	38.963158
"303411"	230.085617	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+H+K"	39.970434
"693645"	335.135817	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+H+K"	39.970434
"1451838"	125.035417	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H+K"	39.970434
"238621"	462.234626	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+ACN+H"	42.033826
"1213149"	252.134226	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+ACN+H"	42.033826
"1198123"	126.570751	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+ACN+2H"	43.041102
"198661"	465.17196	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+2Na-H"	44.97116
"642236"	675.27236	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+2Na-H"	44.97116
"1145995"	255.07156	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2Na-H"	44.97116
"187213"	233.089618	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+2Na"	45.978436
"620210"	338.139818	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+2Na"	45.978436
"1126632"	128.039418	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2Na"	45.978436
"1407239"	85.6953706666667	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H+2Na"	46.985712
"1443363"	257.113146	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H+HCOOH"	47.012746
"227954"	238.12264	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+3H2O+2H"	56.04448
"1517111"	271.16519	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+IsoProp+H"	61.06479
"418986"	241.076588	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+Na+K"	61.952376
"777794"	346.126788	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+Na+K"	61.952376
"1674124"	136.026388	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Na+K"	61.952376
"258457"	484.216568	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+ACN+Na"	64.015768
"1227887"	274.116168	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+ACN+Na"	64.015768
"1714585"	274.139693	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+NH4+HCOOH"	64.039293
"1179577"	93.0226846666667	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+3Na"	68.967654
"1651291"	279.095088	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Na+HCOOH"	68.994688
"169822"	497.11984	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+2K-H"	76.91904
"611094"	707.22024	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+2K-H"	76.91904
"1096452"	287.01944	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2K-H"	76.91904
"150712"	249.063558	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"2M+2K"	77.926316
"590275"	354.113758	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"3M+2K"	77.926316
"1079527"	144.013358	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2K"	77.926316
"1112012"	289.033992	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2K+H"	78.933592
"1346575"	289.121607	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+DMSO+H"	79.021207
"1017655"	293.160776	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2ACN+H"	83.060376
"1536507"	294.154408	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+IsoProp+Na+H"	84.054008
"998579"	147.084026	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+2ACN+2H"	84.067652
"1600738"	295.069028	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+K+HCOOH"	84.968628
"1423117"	325.100538	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+H+CF3COOH"	115.000138
"1157783"	167.597301	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+3ACN+2H"	125.094202
"1707333"	342.127085	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+NH4+CF3COOH"	132.026685
"1649793"	347.08248	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+Na+CF3COOH"	136.98208
"1586291"	363.05642	"C07826"	"Aprobarbital"	"C10H14N2O3"	"210.1004"	"M+K+CF3COOH"	152.95602
"803536"	212.1161	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M"	0
"980350"	193.09771	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-H2O-H"	-19.01839
"64218"	140.403457333333	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M-3H"	-3.021828
"505594"	211.108824	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M-3H"	-3.021828
"893250"	69.6980906666667	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-3H"	-3.021828
"7814"	211.108824	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M-2H"	-2.014552
"448468"	317.166874	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M-2H"	-2.014552
"826270"	105.050774	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-2H"	-2.014552
"82981"	423.224924	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M-H"	-1.007276
"522540"	635.341024	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M-H"	-1.007276
"898154"	211.108824	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-H"	-1.007276
"53625"	440.251471	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M-2H+NH4"	16.019271
"502390"	652.367571	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M-2H+NH4"	16.019271
"878408"	228.135371	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-2H+NH4"	16.019271
"45820"	445.206866	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M-2H+Na"	20.974666
"485744"	657.322966	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M-2H+Na"	20.974666
"857349"	233.090766	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-2H+Na"	20.974666
"1625787"	233.090766	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Na-2H"	20.974666
"96483"	229.097163	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M-H+Cl"	33.962126
"538593"	335.155213	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M-H+Cl"	33.962126
"927603"	123.039113	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-H+Cl"	33.962126
"268476"	459.201602	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+Cl"	34.969402
"662357"	671.317702	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+Cl"	34.969402
"1277677"	247.085502	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Cl"	34.969402
"25703"	461.180806	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M-2H+K"	36.948606
"461252"	673.296906	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M-2H+K"	36.948606
"836869"	249.064706	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-2H+K"	36.948606
"1559624"	249.064706	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+K-2H"	36.948606
"945685"	257.114294	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-H+HCOOH"	44.998194
"362810"	469.230401	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+HCOOH-H"	44.998201
"347053"	483.246051	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+Hac-H"	59.013851
"1494063"	271.129951	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Hac-H"	59.013851
"960147"	279.096251	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-H+NaCOOH"	66.980151
"114170"	247.085502	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+2Cl"	69.938804
"557008"	353.143552	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+2Cl"	69.938804
"1024347"	141.027452	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2Cl"	69.938804
"1245750"	291.034985	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Br"	78.918885
"1307470"	293.090972	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Cl+HCOOH"	80.974872
"1321318"	315.072929	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Cl+NaCOOH"	102.956829
"915298"	325.101686	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M-H+CF3COOH"	112.985586
"1290542"	361.078364	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Cl+CF3COOH"	148.962264
"1370169"	177.103424	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H-2H2O"	-35.012676
"1384018"	195.1134	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H-H2O"	-17.0027
"284795"	425.239476	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+H"	1.007276
"679044"	637.355576	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+H"	1.007276
"1357217"	213.123376	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H"	1.007276
"134479"	213.123376	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+2H"	2.014552
"571853"	319.181426	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+2H"	2.014552
"1047216"	107.065326	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2H"	2.014552
"214023"	142.418009333333	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+3H"	3.021828
"655769"	213.123376	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+3H"	3.021828
"1169519"	71.7126426666667	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+3H"	3.021828
"431698"	442.266023	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+NH4"	18.033823
"786135"	654.382123	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+NH4"	18.033823
"1684657"	230.149923	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+NH4"	18.033823
"331839"	221.6366495	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+H+NH4"	19.041099
"727542"	327.6946995	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+H+NH4"	19.041099
"1482456"	115.5785995	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H+NH4"	19.041099
"395668"	447.221418	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+Na"	22.989218
"757756"	659.337518	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+Na"	22.989218
"1603543"	235.105318	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Na"	22.989218
"316251"	224.114347	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+H+Na"	23.996494
"707823"	330.172397	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+H+Na"	23.996494
"1462006"	118.056297	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H+Na"	23.996494
"1053225"	79.0399566666667	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2H+Na"	25.00377
"1259245"	245.149586	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+CH3OH+H"	33.033486
"383296"	463.195358	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+K"	38.963158
"750855"	675.311458	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+K"	38.963158
"1546345"	251.079258	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+K"	38.963158
"302428"	232.101317	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+H+K"	39.970434
"694847"	338.159367	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+H+K"	39.970434
"1453041"	126.043267	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H+K"	39.970434
"239460"	466.266026	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+ACN+H"	42.033826
"1213259"	254.149926	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+ACN+H"	42.033826
"1197140"	127.578601	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+ACN+2H"	43.041102
"198771"	469.20336	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+2Na-H"	44.97116
"641617"	681.31946	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+2Na-H"	44.97116
"1143668"	257.08726	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2Na-H"	44.97116
"186957"	235.105318	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+2Na"	45.978436
"623236"	341.163368	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+2Na"	45.978436
"1126741"	129.047268	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2Na"	45.978436
"1405162"	86.3672706666667	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H+2Na"	46.985712
"1439462"	259.128846	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H+HCOOH"	47.012746
"228064"	240.13834	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+3H2O+2H"	56.04448
"1512846"	273.18089	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+IsoProp+H"	61.06479
"419096"	243.092288	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+Na+K"	61.952376
"776811"	349.150338	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+Na+K"	61.952376
"1674235"	137.034238	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Na+K"	61.952376
"256380"	488.247968	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+ACN+Na"	64.015768
"1227996"	276.131868	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+ACN+Na"	64.015768
"1717972"	276.155393	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+NH4+HCOOH"	64.039293
"1187707"	93.6945846666667	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+3Na"	68.967654
"1655413"	281.110788	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Na+HCOOH"	68.994688
"169568"	501.15124	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+2K-H"	76.91904
"611323"	713.26734	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+2K-H"	76.91904
"1095468"	289.03514	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2K-H"	76.91904
"150822"	251.079258	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"2M+2K"	77.926316
"588199"	357.137308	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"3M+2K"	77.926316
"1078179"	145.021208	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2K"	77.926316
"1110300"	291.049692	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2K+H"	78.933592
"1346685"	291.137307	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+DMSO+H"	79.021207
"1017765"	295.176476	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2ACN+H"	83.060376
"1534430"	296.170108	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+IsoProp+Na+H"	84.054008
"997596"	148.091876	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+2ACN+2H"	84.067652
"1600484"	297.084728	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+K+HCOOH"	84.968628
"1426509"	327.116238	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+H+CF3COOH"	115.000138
"1159716"	168.605151	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+3ACN+2H"	125.094202
"1707443"	344.142785	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+NH4+CF3COOH"	132.026685
"1649786"	349.09818	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+Na+CF3COOH"	136.98208
"1586401"	365.07212	"C07827"	"Butabarbital"	"C10H16N2O3"	"212.1161"	"M+K+CF3COOH"	152.95602
"810207"	246.1004	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M"	0
"985928"	227.08201	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-H2O-H"	-19.01839
"69795"	163.059657333333	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M-3H"	-3.021828
"505344"	245.093124	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M-3H"	-3.021828
"894819"	81.0261906666667	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-3H"	-3.021828
"10112"	245.093124	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M-2H"	-2.014552
"450766"	368.143324	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M-2H"	-2.014552
"828567"	122.042924	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-2H"	-2.014552
"88558"	491.193524	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M-H"	-1.007276
"527024"	737.293924	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M-H"	-1.007276
"898264"	245.093124	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-H"	-1.007276
"60664"	508.220071	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M-2H+NH4"	16.019271
"499861"	754.320471	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M-2H+NH4"	16.019271
"879127"	262.119671	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-2H+NH4"	16.019271
"45200"	513.175466	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M-2H+Na"	20.974666
"482938"	759.275866	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M-2H+Na"	20.974666
"859280"	267.075066	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-2H+Na"	20.974666
"1621522"	267.075066	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Na-2H"	20.974666
"95863"	263.081463	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M-H+Cl"	33.962126
"536516"	386.131663	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M-H+Cl"	33.962126
"927274"	140.031263	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-H+Cl"	33.962126
"267492"	527.170202	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+Cl"	34.969402
"661007"	773.270602	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+Cl"	34.969402
"1274506"	281.069802	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Cl"	34.969402
"16129"	529.149406	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M-2H+K"	36.948606
"459539"	775.249806	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M-2H+K"	36.948606
"837706"	283.049006	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-2H+K"	36.948606
"1557547"	283.049006	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+K-2H"	36.948606
"943607"	291.098594	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-H+HCOOH"	44.998194
"362191"	537.199001	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+HCOOH-H"	44.998201
"347893"	551.214651	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+Hac-H"	59.013851
"1494538"	305.114251	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Hac-H"	59.013851
"959167"	313.080551	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-H+NaCOOH"	66.980151
"118653"	281.069802	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+2Cl"	69.938804
"553838"	404.120002	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+2Cl"	69.938804
"1024821"	158.019602	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2Cl"	69.938804
"1245129"	325.019285	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Br"	78.918885
"1307944"	327.075272	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Cl+HCOOH"	80.974872
"1321426"	349.057229	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Cl+NaCOOH"	102.956829
"912855"	359.085986	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M-H+CF3COOH"	112.985586
"1288952"	395.062664	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Cl+CF3COOH"	148.962264
"1371366"	211.087724	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H-2H2O"	-35.012676
"1385584"	229.0977	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H-H2O"	-17.0027
"286364"	493.208076	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+H"	1.007276
"678788"	739.308476	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+H"	1.007276
"1356232"	247.107676	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H"	1.007276
"134589"	247.107676	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+2H"	2.014552
"569774"	370.157876	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+2H"	2.014552
"1046231"	124.057476	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2H"	2.014552
"210851"	165.074209333333	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+3H"	3.021828
"655878"	247.107676	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+3H"	3.021828
"1170723"	83.0407426666667	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+3H"	3.021828
"435817"	510.234623	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+NH4"	18.033823
"786368"	756.335023	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+NH4"	18.033823
"1683671"	264.134223	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+NH4"	18.033823
"331949"	255.6209495	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+H+NH4"	19.041099
"724370"	378.6711495	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+H+NH4"	19.041099
"1479284"	132.5707495	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H+NH4"	19.041099
"395049"	515.190018	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+Na"	22.989218
"757866"	761.290418	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+Na"	22.989218
"1604868"	269.089618	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Na"	22.989218
"317091"	258.098647	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+H+Na"	23.996494
"709513"	381.148847	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+H+Na"	23.996494
"1463332"	135.048447	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H+Na"	23.996494
"1054391"	90.3680566666667	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2H+Na"	25.00377
"1259355"	279.133886	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+CH3OH+H"	33.033486
"384499"	531.163958	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+K"	38.963158
"743305"	777.264358	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+K"	38.963158
"1546455"	285.063558	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+K"	38.963158
"302537"	266.085617	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+H+K"	39.970434
"693862"	389.135817	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+H+K"	39.970434
"1450963"	143.035417	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H+K"	39.970434
"240661"	534.234626	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+ACN+H"	42.033826
"1213369"	288.134226	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+ACN+H"	42.033826
"1197249"	144.570751	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+ACN+2H"	43.041102
"198881"	537.17196	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+2Na-H"	44.97116
"642822"	783.27236	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+2Na-H"	44.97116
"1145600"	291.07156	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2Na-H"	44.97116
"188121"	269.089618	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+2Na"	45.978436
"628289"	392.139818	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+2Na"	45.978436
"1128674"	146.039418	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2Na"	45.978436
"1403085"	97.6953706666667	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H+2Na"	46.985712
"1439572"	293.113146	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H+HCOOH"	47.012746
"225987"	274.12264	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+3H2O+2H"	56.04448
"1513320"	307.16519	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+IsoProp+H"	61.06479
"417020"	277.076588	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+Na+K"	61.952376
"776921"	400.126788	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+Na+K"	61.952376
"1671065"	154.026388	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Na+K"	61.952376
"256490"	556.216568	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+ACN+Na"	64.015768
"1230292"	310.116168	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+ACN+Na"	64.015768
"1718082"	310.139693	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+NH4+HCOOH"	64.039293
"1187817"	105.022684666667	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+3Na"	68.967654
"1655523"	315.095088	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Na+HCOOH"	68.994688
"171380"	569.11984	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+2K-H"	76.91904
"610700"	815.22024	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+2K-H"	76.91904
"1097394"	323.01944	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2K-H"	76.91904
"146556"	285.063558	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"2M+2K"	77.926316
"590495"	408.113758	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"3M+2K"	77.926316
"1078289"	162.013358	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2K"	77.926316
"1113327"	325.033992	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2K+H"	78.933592
"1348982"	325.121607	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+DMSO+H"	79.021207
"1016418"	329.160776	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2ACN+H"	83.060376
"1535633"	330.154408	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+IsoProp+Na+H"	84.054008
"998799"	165.084026	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+2ACN+2H"	84.067652
"1599868"	331.069028	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+K+HCOOH"	84.968628
"1427351"	361.100538	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+H+CF3COOH"	115.000138
"1160190"	185.597301	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+3ACN+2H"	125.094202
"1710835"	378.127085	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+NH4+CF3COOH"	132.026685
"1649850"	383.08248	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+Na+CF3COOH"	136.98208
"1586511"	399.05642	"C07829"	"Mephobarbital"	"C13H14N2O3"	"246.1004"	"M+K+CF3COOH"	152.95602
"804849"	167.0946	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M"	0
"978382"	148.07621	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"65532"	110.389124	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"503386"	166.087324	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"892741"	54.690924	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"6941"	166.087324	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"448688"	249.634624	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"822114"	82.540024	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"79920"	333.181924	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"518662"	500.276524	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"895646"	166.087324	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"58952"	350.208471	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"501921"	517.303071	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"878385"	183.113871	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"45676"	355.163866	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"483051"	522.258466	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"855382"	188.069266	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1620541"	188.069266	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"96339"	184.075663	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"535044"	267.622963	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"927869"	100.528363	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"267560"	369.158602	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"660469"	536.253202	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1276076"	202.064002	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"19361"	371.137806	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"457099"	538.232406	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"835994"	204.043206	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1555957"	204.043206	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"942813"	212.092794	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"361469"	379.187401	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"345751"	393.203051	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1492847"	226.108451	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"958577"	234.074751	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"119856"	202.064002	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"553948"	285.611302	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1025298"	118.516702	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1245240"	246.013485	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1308054"	248.069472	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1321540"	270.051429	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"913694"	280.080186	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1290032"	316.056864	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1371839"	132.081924	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1384236"	150.0919	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"283560"	335.196476	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"678898"	502.291076	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1356340"	168.101876	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"128866"	168.101876	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"570978"	251.649176	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1044153"	84.554576	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"207680"	112.403676	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"649427"	168.101876	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1164272"	56.705476	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"430823"	352.223023	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"786230"	519.317623	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1688158"	185.128423	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"332060"	176.6151495	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"729951"	260.1624495	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1477814"	93.0678495	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"393702"	357.178418	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"754337"	524.273018	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1603642"	190.083818	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"315498"	179.092847	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"708529"	262.640147	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1462832"	95.545547	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1053777"	64.03279	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1258005"	200.128086	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"381321"	373.152358	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"742322"	540.246958	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1543280"	206.057758	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"301550"	187.079817	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"692028"	270.627117	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1449980"	103.532517	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"236397"	376.223026	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1211046"	209.128426	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1200638"	105.067851	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"198990"	379.16036	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"641469"	546.25496	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1143156"	212.06576	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"187177"	190.083818	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"624914"	273.631118	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1127324"	106.536518	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1402102"	71.360104	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1432028"	214.107346	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"221724"	195.11684	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1511243"	228.15939	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"413850"	198.070788	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"773751"	281.618088	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1668988"	114.523488	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"256600"	398.204968	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1229308"	231.110368	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1714912"	231.133893	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1186834"	78.687418	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1656726"	236.089288	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"170883"	411.10824	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"608258"	578.20284	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1090944"	244.01364	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"145572"	206.057758	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"589512"	289.605058	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1078035"	122.510458	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1113437"	246.028192	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1349092"	246.115807	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1016163"	250.154976	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1535743"	251.148608	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"996722"	125.581126	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1598885"	252.063228	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1426732"	282.094738	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1159936"	146.094401	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1712038"	299.121285	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1642221"	304.07668	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1586621"	320.05062	"C07832"	"Ethinamate"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"803866"	144.0342	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M"	0
"980679"	125.01581	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-H2O-H"	-19.01839
"64908"	95.015524	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M-3H"	-3.021828
"504471"	143.026924	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M-3H"	-3.021828
"892851"	47.004124	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-3H"	-3.021828
"7051"	143.026924	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M-2H"	-2.014552
"447704"	215.044024	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M-2H"	-2.014552
"821131"	71.009824	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-2H"	-2.014552
"80030"	287.061124	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M-H"	-1.007276
"519709"	431.095324	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M-H"	-1.007276
"896779"	143.026924	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-H"	-1.007276
"59426"	304.087671	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M-2H+NH4"	16.019271
"502152"	448.121871	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M-2H+NH4"	16.019271
"878740"	160.053471	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-2H+NH4"	16.019271
"46031"	309.043066	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M-2H+Na"	20.974666
"486198"	453.077266	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M-2H+Na"	20.974666
"855492"	165.008866	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-2H+Na"	20.974666
"1621015"	165.008866	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Na-2H"	20.974666
"96813"	161.015263	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M-H+Cl"	33.962126
"535278"	233.032363	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M-H+Cl"	33.962126
"928429"	88.998163	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-H+Cl"	33.962126
"268199"	323.037802	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+Cl"	34.969402
"661229"	467.072002	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+Cl"	34.969402
"1276915"	179.003602	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Cl"	34.969402
"21657"	325.017006	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M-2H+K"	36.948606
"459030"	469.051206	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M-2H+K"	36.948606
"837197"	180.982806	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-2H+K"	36.948606
"1556674"	180.982806	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+K-2H"	36.948606
"943026"	189.032394	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-H+HCOOH"	44.998194
"362408"	333.066601	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+HCOOH-H"	44.998201
"346168"	347.082251	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+Hac-H"	59.013851
"1493055"	203.048051	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Hac-H"	59.013851
"959017"	211.014351	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-H+NaCOOH"	66.980151
"118873"	179.003602	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+2Cl"	69.938804
"555879"	251.020702	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+2Cl"	69.938804
"1028687"	106.986502	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2Cl"	69.938804
"1248996"	222.953085	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Br"	78.918885
"1308163"	225.009072	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Cl+HCOOH"	80.974872
"1326026"	246.991029	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Cl+NaCOOH"	102.956829
"915626"	257.019786	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M-H+CF3COOH"	112.985586
"1290020"	292.996464	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Cl+CF3COOH"	148.962264
"1372677"	109.021524	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H-2H2O"	-35.012676
"1385803"	127.0315	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H-H2O"	-17.0027
"285492"	289.075676	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+H"	1.007276
"677185"	433.109876	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+H"	1.007276
"1354627"	145.041476	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H"	1.007276
"131528"	145.041476	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+2H"	2.014552
"572181"	217.058576	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+2H"	2.014552
"1047543"	73.024376	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2H"	2.014552
"212163"	97.030076	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+3H"	3.021828
"649537"	145.041476	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+3H"	3.021828
"1165475"	49.018676	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+3H"	3.021828
"430933"	306.102223	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+NH4"	18.033823
"786829"	450.136423	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+NH4"	18.033823
"1687174"	162.068023	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+NH4"	18.033823
"332534"	153.5547495	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+H+NH4"	19.041099
"728967"	225.5718495	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+H+NH4"	19.041099
"1478166"	81.5376495	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H+NH4"	19.041099
"393805"	311.057618	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+Na"	22.989218
"755043"	455.091818	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+Na"	22.989218
"1603385"	167.023418	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Na"	22.989218
"314880"	156.032447	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+H+Na"	23.996494
"708759"	228.049547	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+H+Na"	23.996494
"1462944"	84.015347	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H+Na"	23.996494
"1054616"	56.34599	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2H+Na"	25.00377
"1257508"	177.067686	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+CH3OH+H"	33.033486
"379608"	327.031558	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+K"	38.963158
"740241"	471.065758	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+K"	38.963158
"1541565"	182.997358	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+K"	38.963158
"302024"	164.019417	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+H+K"	39.970434
"695175"	236.036517	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+H+K"	39.970434
"1446442"	92.002317	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H+K"	39.970434
"237600"	330.102226	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+ACN+H"	42.033826
"1210668"	186.068026	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+ACN+H"	42.033826
"1197470"	93.537651	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+ACN+2H"	43.041102
"199829"	333.03956	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+2Na-H"	44.97116
"641215"	477.07376	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+2Na-H"	44.97116
"1144358"	189.00536	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2Na-H"	44.97116
"187651"	167.023418	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+2Na"	45.978436
"623929"	239.040518	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+2Na"	45.978436
"1124154"	95.006318	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2Na"	45.978436
"1403305"	63.673304	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H+2Na"	46.985712
"1434324"	191.046946	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H+HCOOH"	47.012746
"222927"	172.05644	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+3H2O+2H"	56.04448
"1511716"	205.09899	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+IsoProp+H"	61.06479
"417239"	175.010388	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+Na+K"	61.952376
"774954"	247.027488	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+Na+K"	61.952376
"1672377"	102.993288	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Na+K"	61.952376
"257803"	352.084168	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+ACN+Na"	64.015768
"1230511"	208.049968	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+ACN+Na"	64.015768
"1720490"	208.073493	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+NH4+HCOOH"	64.039293
"1181472"	71.000618	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+3Na"	68.967654
"1661209"	213.028888	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Na+HCOOH"	68.994688
"167715"	364.98744	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+2K-H"	76.91904
"605453"	509.02164	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+2K-H"	76.91904
"1091054"	220.95324	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2K-H"	76.91904
"147868"	182.997358	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"2M+2K"	77.926316
"588165"	255.014458	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"3M+2K"	77.926316
"1076688"	110.980258	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2K"	77.926316
"1113670"	222.967792	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2K+H"	78.933592
"1348838"	223.055407	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+DMSO+H"	79.021207
"1018824"	227.094576	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2ACN+H"	83.060376
"1535854"	228.088208	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+IsoProp+Na+H"	84.054008
"993552"	114.050926	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+2ACN+2H"	84.067652
"1598995"	229.002828	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+K+HCOOH"	84.968628
"1425749"	259.034338	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+H+CF3COOH"	115.000138
"1159682"	134.564201	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+3ACN+2H"	125.094202
"1710327"	276.060885	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+NH4+CF3COOH"	132.026685
"1642331"	281.01628	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+Na+CF3COOH"	136.98208
"1586731"	296.99022	"C07833"	"Ethchlorvynol"	"C7H9ClO"	"144.0342"	"M+K+CF3COOH"	152.95602
"808349"	132.0786	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M"	0
"977507"	113.06021	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-H2O-H"	-19.01839
"65384"	87.045124	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M-3H"	-3.021828
"504945"	131.071324	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M-3H"	-3.021828
"892961"	43.018924	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-3H"	-3.021828
"7161"	131.071324	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M-2H"	-2.014552
"447814"	197.110624	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M-2H"	-2.014552
"822334"	65.032024	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-2H"	-2.014552
"82326"	263.149924	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M-H"	-1.007276
"519817"	395.228524	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M-H"	-1.007276
"896645"	131.071324	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-H"	-1.007276
"57347"	280.176471	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M-2H+NH4"	16.019271
"500440"	412.255071	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M-2H+NH4"	16.019271
"878241"	148.097871	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-2H+NH4"	16.019271
"45655"	285.131866	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M-2H+Na"	20.974666
"486187"	417.210466	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M-2H+Na"	20.974666
"855602"	153.053266	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-2H+Na"	20.974666
"1622218"	153.053266	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Na-2H"	20.974666
"96559"	149.059663	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M-H+Cl"	33.962126
"538305"	215.098963	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M-H+Cl"	33.962126
"929267"	83.020363	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-H+Cl"	33.962126
"268674"	299.126602	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+Cl"	34.969402
"664256"	431.205202	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+Cl"	34.969402
"1277025"	167.048002	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Cl"	34.969402
"24684"	301.105806	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M-2H+K"	36.948606
"463151"	433.184406	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M-2H+K"	36.948606
"839494"	169.027206	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-2H+K"	36.948606
"1557149"	169.027206	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+K-2H"	36.948606
"942801"	177.076794	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-H+HCOOH"	44.998194
"365071"	309.155401	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+HCOOH-H"	44.998201
"346400"	323.171051	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+Hac-H"	59.013851
"1494262"	191.092451	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Hac-H"	59.013851
"958627"	199.058751	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-H+NaCOOH"	66.980151
"118983"	167.048002	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+2Cl"	69.938804
"556355"	233.087302	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+2Cl"	69.938804
"1030620"	101.008702	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2Cl"	69.938804
"1250199"	210.997485	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Br"	78.918885
"1310462"	213.053472	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Cl+HCOOH"	80.974872
"1326866"	235.035429	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Cl+NaCOOH"	102.956829
"913546"	245.064186	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M-H+CF3COOH"	112.985586
"1289162"	281.040864	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Cl+CF3COOH"	148.962264
"1370237"	97.065924	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H-2H2O"	-35.012676
"1385186"	115.0759	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H-H2O"	-17.0027
"283778"	265.164476	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+H"	1.007276
"679116"	397.243076	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+H"	1.007276
"1354372"	133.085876	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H"	1.007276
"128357"	133.085876	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+2H"	2.014552
"570104"	199.125176	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+2H"	2.014552
"1047653"	67.046576	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2H"	2.014552
"214461"	89.059676	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+3H"	3.021828
"650740"	133.085876	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+3H"	3.021828
"1166680"	45.033476	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+3H"	3.021828
"429950"	282.191023	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+NH4"	18.033823
"786331"	414.269623	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+NH4"	18.033823
"1685098"	150.112423	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+NH4"	18.033823
"330577"	141.5991495	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+H+NH4"	19.041099
"727983"	207.6384495	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+H+NH4"	19.041099
"1477341"	75.5598495	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H+NH4"	19.041099
"394039"	287.146418	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+Na"	22.989218
"757098"	419.225018	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+Na"	22.989218
"1604471"	155.067818	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Na"	22.989218
"315596"	144.076847	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+H+Na"	23.996494
"709841"	210.116147	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+H+Na"	23.996494
"1464390"	78.037547	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H+Na"	23.996494
"1054725"	52.36079	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2H+Na"	25.00377
"1258589"	165.112086	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+CH3OH+H"	33.033486
"379718"	303.120358	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+K"	38.963158
"740716"	435.198958	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+K"	38.963158
"1540704"	171.041758	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+K"	38.963158
"302864"	152.063817	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+H+K"	39.970434
"694192"	218.103117	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+H+K"	39.970434
"1448013"	86.024517	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H+K"	39.970434
"236739"	306.191026	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+ACN+H"	42.033826
"1210903"	174.112426	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+ACN+H"	42.033826
"1197581"	87.559851	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+ACN+2H"	43.041102
"200303"	309.12836	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+2Na-H"	44.97116
"643027"	441.20696	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+2Na-H"	44.97116
"1144468"	177.04976	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2Na-H"	44.97116
"188005"	155.067818	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+2Na"	45.978436
"626226"	221.107118	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+2Na"	45.978436
"1125357"	89.028518	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2Na"	45.978436
"1406695"	59.688104	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H+2Na"	46.985712
"1434435"	179.091346	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H+HCOOH"	47.012746
"223037"	160.10084	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+3H2O+2H"	56.04448
"1512556"	193.14339	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+IsoProp+H"	61.06479
"418442"	163.054788	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+Na+K"	61.952376
"778343"	229.094088	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+Na+K"	61.952376
"1672487"	97.015488	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Na+K"	61.952376
"255726"	328.172968	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+ACN+Na"	64.015768
"1232809"	196.094368	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+ACN+Na"	64.015768
"1722787"	196.117893	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+NH4+HCOOH"	64.039293
"1181945"	67.015418	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+3Na"	68.967654
"1659130"	201.073288	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Na+HCOOH"	68.994688
"167825"	341.07624	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+2K-H"	76.91904
"605563"	473.15484	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+2K-H"	76.91904
"1092258"	208.99764	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2K-H"	76.91904
"146885"	171.041758	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"2M+2K"	77.926316
"588639"	237.081058	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"3M+2K"	77.926316
"1076798"	105.002458	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2K"	77.926316
"1111106"	211.012192	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2K+H"	78.933592
"1348584"	211.099807	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+DMSO+H"	79.021207
"1017112"	215.138976	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2ACN+H"	83.060376
"1535235"	216.132608	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+IsoProp+Na+H"	84.054008
"994755"	108.073126	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+2ACN+2H"	84.067652
"1599101"	217.047228	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+K+HCOOH"	84.968628
"1428407"	247.078738	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+H+CF3COOH"	115.000138
"1158334"	128.586401	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+3ACN+2H"	125.094202
"1709708"	264.105285	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+NH4+CF3COOH"	132.026685
"1642441"	269.06068	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+Na+CF3COOH"	136.98208
"1586841"	285.03462	"C07834"	"Paraldehyde"	"C6H12O3"	"132.0786"	"M+K+CF3COOH"	152.95602
"807366"	290.0403	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"977617"	271.02191	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"65129"	192.352924	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"504327"	289.033024	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"894529"	95.672824	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"12738"	289.033024	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"446831"	434.053174	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"819164"	144.012874	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"83529"	579.073324	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"520172"	869.113624	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"896879"	289.033024	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"57457"	596.099871	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"502543"	886.140171	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"879611"	306.059571	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"46658"	601.055266	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"486745"	891.095566	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"855712"	311.014966	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1624151"	311.014966	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"99584"	307.021363	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"539144"	452.041513	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"928283"	162.001213	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"270486"	615.050002	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"666188"	905.090302	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1279323"	325.009702	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"26253"	617.029206	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"464720"	907.069506	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"842522"	326.988906	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1558717"	326.988906	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"944048"	335.038494	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"364454"	625.078801	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"348338"	639.094451	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1494984"	349.054151	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"960337"	357.020451	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"121645"	325.009702	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"557558"	470.029852	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1030730"	179.989552	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1251402"	368.959185	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1313852"	371.015172	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1328069"	392.997129	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"913657"	403.025886	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1289272"	439.002564	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1369984"	255.027624	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1386024"	273.0376	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"283888"	581.087876	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"677403"	871.128176	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1353023"	291.047576	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"126397"	291.047576	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"572401"	436.067726	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1049223"	146.027426	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"215300"	194.367476	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"654132"	291.047576	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1170069"	97.687376	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"433341"	598.114423	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"786681"	888.154723	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1683012"	308.074123	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"331411"	299.5608495	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"722974"	444.5809995	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1477181"	154.5406995	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"393174"	603.069818	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"756114"	893.110118	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1603362"	313.029518	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"314856"	302.038547	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"710316"	447.058697	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1461316"	157.018397	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1053495"	105.01469	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1259064"	323.073786	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"379828"	619.043758	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"740823"	909.084058	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1541786"	329.003458	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"300416"	310.025517	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"693566"	455.045667	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1446295"	165.005367	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"238914"	622.114426	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1210892"	332.074126	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1195138"	166.540701	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"199685"	625.05176	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"643383"	915.09206	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1143116"	335.01146	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"188307"	313.029518	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"624148"	458.049668	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1122185"	168.009368	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1405710"	112.342004	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1433452"	337.053046	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"222782"	318.06254	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1510844"	351.10509	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"421833"	321.016488	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"781733"	466.036638	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1675878"	175.996338	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"256929"	644.096368	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1232919"	354.056068	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1719617"	354.079593	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1182785"	119.669318	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1659240"	359.034988	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"167195"	656.99964	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"605308"	947.03994	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1094555"	366.95934	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"151367"	329.003458	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"588749"	474.023608	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1074354"	183.983308	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1110487"	368.973892	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1348330"	369.061507	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1017222"	373.100676	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1537166"	374.094308	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"997052"	187.053976	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1597025"	375.008928	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1426695"	405.040438	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1158444"	207.567251	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1709088"	422.066985	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1641458"	427.02238	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1586951"	442.99632	"C07836"	"D-glycero-beta-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"804196"	82.0531	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M"	0
"978820"	63.03471	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-H2O-H"	-19.01839
"64146"	53.6947906666667	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M-3H"	-3.021828
"505530"	81.045824	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M-3H"	-3.021828
"894274"	26.3437573333333	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-3H"	-3.021828
"10661"	81.045824	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M-2H"	-2.014552
"446941"	122.072374	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M-2H"	-2.014552
"819274"	40.019274	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-2H"	-2.014552
"84732"	163.098924	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M-H"	-1.007276
"522105"	245.152024	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M-H"	-1.007276
"896622"	81.045824	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-H"	-1.007276
"54287"	180.125471	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M-2H+NH4"	16.019271
"501386"	262.178571	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M-2H+NH4"	16.019271
"879769"	98.072371	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-2H+NH4"	16.019271
"46926"	185.080866	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M-2H+Na"	20.974666
"487071"	267.133966	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M-2H+Na"	20.974666
"859102"	103.027766	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-2H+Na"	20.974666
"1626448"	103.027766	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Na-2H"	20.974666
"101881"	99.034163	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M-H+Cl"	33.962126
"539254"	140.060713	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M-H+Cl"	33.962126
"928759"	58.007613	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-H+Cl"	33.962126
"269503"	199.075602	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+Cl"	34.969402
"669216"	281.128702	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+Cl"	34.969402
"1284901"	117.022502	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Cl"	34.969402
"21991"	201.054806	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M-2H+K"	36.948606
"464833"	283.107906	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M-2H+K"	36.948606
"842633"	119.001706	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-2H+K"	36.948606
"1559558"	119.001706	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+K-2H"	36.948606
"944525"	127.051294	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-H+HCOOH"	44.998194
"364564"	209.104401	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+HCOOH-H"	44.998201
"347356"	223.120051	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+Hac-H"	59.013851
"1494729"	141.066951	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Hac-H"	59.013851
"964827"	149.033251	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-H+NaCOOH"	66.980151
"118110"	117.022502	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+2Cl"	69.938804
"559856"	158.049052	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+2Cl"	69.938804
"1029750"	75.995952	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2Cl"	69.938804
"1247142"	160.971985	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Br"	78.918885
"1311776"	163.027972	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Cl+HCOOH"	80.974872
"1330367"	185.009929	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Cl+NaCOOH"	102.956829
"911946"	195.038686	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M-H+CF3COOH"	112.985586
"1289383"	231.015364	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Cl+CF3COOH"	148.962264
"1367223"	47.040424	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H-2H2O"	-35.012676
"1384313"	65.0504	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H-H2O"	-17.0027
"284364"	165.113476	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+H"	1.007276
"678246"	247.166576	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+H"	1.007276
"1351799"	83.060376	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H"	1.007276
"127483"	83.060376	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+2H"	2.014552
"575791"	124.086926	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+2H"	2.014552
"1050426"	42.033826	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2H"	2.014552
"218327"	55.7093426666667	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+3H"	3.021828
"655334"	83.060376	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+3H"	3.021828
"1174190"	28.3583093333333	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+3H"	3.021828
"425797"	182.140023	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+NH4"	18.033823
"789347"	264.193123	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+NH4"	18.033823
"1682762"	100.086923	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+NH4"	18.033823
"331039"	91.5736495	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+H+NH4"	19.041099
"723087"	132.6001995	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+H+NH4"	19.041099
"1477147"	50.5470995	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H+NH4"	19.041099
"393241"	187.095418	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+Na"	22.989218
"755373"	269.148518	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+Na"	22.989218
"1604201"	105.042318	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Na"	22.989218
"314967"	94.051347	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+H+Na"	23.996494
"708604"	135.077897	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+H+Na"	23.996494
"1461378"	53.024797	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H+Na"	23.996494
"1053852"	35.6856233333333	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2H+Na"	25.00377
"1259540"	115.086586	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+CH3OH+H"	33.033486
"377752"	203.069358	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+K"	38.963158
"738827"	285.122458	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+K"	38.963158
"1540802"	121.016258	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+K"	38.963158
"298589"	102.038317	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+H+K"	39.970434
"691385"	143.064867	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+H+K"	39.970434
"1445628"	61.011767	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H+K"	39.970434
"239026"	206.140026	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+ACN+H"	42.033826
"1211734"	124.086926	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+ACN+H"	42.033826
"1194204"	62.547101	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+ACN+2H"	43.041102
"199795"	209.07736	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+2Na-H"	44.97116
"642637"	291.13046	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+2Na-H"	44.97116
"1141401"	127.02426	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2Na-H"	44.97116
"186641"	105.042318	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+2Na"	45.978436
"624258"	146.068868	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+2Na"	45.978436
"1122295"	64.015768	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2Na"	45.978436
"1403632"	43.0129373333333	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H+2Na"	46.985712
"1433195"	129.065846	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H+HCOOH"	47.012746
"222890"	110.07534	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+3H2O+2H"	56.04448
"1512410"	143.11789	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+IsoProp+H"	61.06479
"418661"	113.029288	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+Na+K"	61.952376
"775282"	154.055838	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+Na+K"	61.952376
"1674895"	72.002738	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Na+K"	61.952376
"258133"	228.121968	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+ACN+Na"	64.015768
"1230841"	146.068868	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+ACN+Na"	64.015768
"1713892"	146.092393	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+NH4+HCOOH"	64.039293
"1178678"	50.3402513333333	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+3Na"	68.967654
"1659350"	151.047788	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Na+HCOOH"	68.994688
"158191"	241.02524	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+2K-H"	76.91904
"604685"	323.07834	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+2K-H"	76.91904
"1090653"	158.97214	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2K-H"	76.91904
"146010"	121.016258	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"2M+2K"	77.926316
"586671"	162.042808	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"3M+2K"	77.926316
"1073371"	79.989708	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2K"	77.926316
"1107675"	160.986692	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2K+H"	78.933592
"1348800"	161.074307	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+DMSO+H"	79.021207
"1016967"	165.113476	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2ACN+H"	83.060376
"1536183"	166.107108	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+IsoProp+Na+H"	84.054008
"993882"	83.060376	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+2ACN+2H"	84.067652
"1597135"	167.021728	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+K+HCOOH"	84.968628
"1427170"	197.053238	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+H+CF3COOH"	115.000138
"1157458"	103.573651	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+3ACN+2H"	125.094202
"1705914"	214.079785	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+NH4+CF3COOH"	132.026685
"1649589"	219.03518	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+Na+CF3COOH"	136.98208
"1580500"	235.00912	"C07837"	"Fomepizole;4-Methylpyrazole"	"C4H6N2"	"82.0531"	"M+K+CF3COOH"	152.95602
"814148"	290.0403	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"981120"	271.02191	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"70456"	192.352924	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"508924"	289.033024	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"890011"	95.672824	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"10773"	289.033024	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"445957"	434.053174	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"828133"	144.012874	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"85936"	579.073324	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"523310"	869.113624	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"901111"	289.033024	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"54397"	596.099871	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"497242"	886.140171	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"872856"	306.059571	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"44038"	601.055266	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"475213"	891.095566	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"855932"	311.014966	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1623642"	311.014966	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"98711"	307.021363	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"539364"	452.041513	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"929233"	162.001213	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"270706"	615.050002	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"665316"	905.090302	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1279543"	325.009702	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"28662"	617.029206	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"464943"	907.069506	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"841649"	326.988906	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1558574"	326.988906	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"945365"	335.038494	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"362852"	625.078801	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"345831"	639.094451	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1493747"	349.054151	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"963844"	357.020451	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"119314"	325.009702	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"562884"	470.029852	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1034235"	179.989552	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1252720"	368.959185	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1317356"	371.015172	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1331571"	392.997129	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"911377"	403.025886	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1291682"	439.002564	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1367100"	255.027624	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1384060"	273.0376	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"285934"	581.087876	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"681636"	871.128176	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1356891"	291.047576	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"129780"	291.047576	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"575902"	436.067726	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1051264"	146.027426	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"218437"	194.367476	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"655446"	291.047576	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1175758"	97.687376	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"429187"	598.114423	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"788364"	888.154723	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1683965"	308.074123	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"331878"	299.5608495	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"723326"	444.5809995	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1477510"	154.5406995	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"394975"	603.069818	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"755970"	893.110118	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1604801"	313.029518	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"316293"	302.038547	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"710535"	447.058697	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1462292"	157.018397	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1052901"	105.01469	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1258557"	323.073786	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"378956"	619.043758	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"739099"	909.084058	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1541276"	329.003458	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"299092"	310.025517	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"691718"	455.045667	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1446883"	165.005367	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"240230"	622.114426	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1212937"	332.074126	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1194631"	166.540701	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"199905"	625.05176	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"641290"	915.09206	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1144190"	335.01146	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"186751"	313.029518	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"626068"	458.049668	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1129088"	168.009368	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1407025"	112.342004	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1434767"	337.053046	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"229930"	318.06254	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1522975"	351.10509	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"415491"	321.016488	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"777578"	466.036638	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1675006"	175.996338	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"260430"	644.096368	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1230951"	354.056068	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1715459"	354.079593	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1179355"	119.669318	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1660553"	359.034988	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"158666"	656.99964	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"606618"	947.03994	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1090400"	366.95934	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"148307"	329.003458	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"590067"	474.023608	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1080047"	183.983308	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1105599"	368.973892	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1348545"	369.061507	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1017081"	373.100676	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1535201"	374.094308	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"999466"	187.053976	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1599432"	375.008928	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1427283"	405.040438	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1158662"	207.567251	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1704931"	422.066985	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1636572"	427.02238	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1580610"	442.99632	"C07838"	"D-glycero-beta-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"814258"	204.0899	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M"	0
"979042"	185.07151	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-H2O-H"	-19.01839
"72753"	135.052657333333	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M-3H"	-3.021828
"511221"	203.082624	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M-3H"	-3.021828
"889028"	67.0226906666667	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-3H"	-3.021828
"11975"	203.082624	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M-2H"	-2.014552
"446067"	305.127574	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M-2H"	-2.014552
"824963"	101.037674	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-2H"	-2.014552
"83860"	407.172524	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M-H"	-1.007276
"523420"	611.262424	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M-H"	-1.007276
"897941"	203.082624	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-H"	-1.007276
"54507"	424.199071	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M-2H+NH4"	16.019271
"497352"	628.288971	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M-2H+NH4"	16.019271
"872966"	220.109171	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-2H+NH4"	16.019271
"44148"	429.154466	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M-2H+Na"	20.974666
"474959"	633.244366	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M-2H+Na"	20.974666
"856042"	225.064566	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-2H+Na"	20.974666
"1623752"	225.064566	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Na-2H"	20.974666
"98091"	221.070963	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M-H+Cl"	33.962126
"540567"	323.115913	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M-H+Cl"	33.962126
"929707"	119.026013	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-H+Cl"	33.962126
"270452"	443.149202	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+Cl"	34.969402
"666155"	647.239102	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+Cl"	34.969402
"1278559"	239.059302	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Cl"	34.969402
"25490"	445.128406	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M-2H+K"	36.948606
"462864"	649.218306	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M-2H+K"	36.948606
"838478"	241.038506	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-2H+K"	36.948606
"1557953"	241.038506	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+K-2H"	36.948606
"944742"	249.088094	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-H+HCOOH"	44.998194
"361862"	453.178001	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+HCOOH-H"	44.998201
"346967"	467.193651	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+Hac-H"	59.013851
"1494582"	263.103751	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Hac-H"	59.013851
"961767"	271.070051	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-H+NaCOOH"	66.980151
"117237"	239.059302	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+2Cl"	69.938804
"560807"	341.104252	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+2Cl"	69.938804
"1033251"	137.014352	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2Cl"	69.938804
"1255746"	283.008785	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Br"	78.918885
"1318194"	285.064772	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Cl+HCOOH"	80.974872
"1331681"	307.046729	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Cl+NaCOOH"	102.956829
"912288"	317.075486	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M-H+CF3COOH"	112.985586
"1292885"	353.052164	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Cl+CF3COOH"	148.962264
"1368249"	169.077224	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H-2H2O"	-35.012676
"1384898"	187.0872	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H-H2O"	-17.0027
"289324"	409.187076	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+H"	1.007276
"681746"	613.276976	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+H"	1.007276
"1359188"	205.097176	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H"	1.007276
"130984"	205.097176	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+2H"	2.014552
"571637"	307.142126	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+2H"	2.014552
"1048092"	103.052226	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2H"	2.014552
"216359"	137.067209333333	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+3H"	3.021828
"654461"	205.097176	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+3H"	3.021828
"1176962"	69.0372426666667	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+3H"	3.021828
"427110"	426.213623	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+NH4"	18.033823
"788474"	630.303523	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+NH4"	18.033823
"1682982"	222.123723	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+NH4"	18.033823
"330529"	213.6104495	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+H+NH4"	19.041099
"723922"	315.6553995	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+H+NH4"	19.041099
"1478350"	111.5654995	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H+NH4"	19.041099
"393749"	431.169018	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+Na"	22.989218
"756080"	635.258918	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+Na"	22.989218
"1605640"	227.079118	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Na"	22.989218
"317860"	216.088147	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+H+Na"	23.996494
"711374"	318.133097	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+H+Na"	23.996494
"1462890"	114.043197	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H+Na"	23.996494
"1053946"	76.3645566666667	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2H+Na"	25.00377
"1258060"	237.123386	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+CH3OH+H"	33.033486
"378095"	447.142958	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+K"	38.963158
"739125"	651.232858	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+K"	38.963158
"1540295"	243.053058	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+K"	38.963158
"298884"	224.075117	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+H+K"	39.970434
"691709"	326.120067	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+H+K"	39.970434
"1446628"	122.030167	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H+K"	39.970434
"236328"	450.213626	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+ACN+H"	42.033826
"1210287"	246.123726	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+ACN+H"	42.033826
"1194371"	123.565501	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+ACN+2H"	43.041102
"200380"	453.15096	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+2Na-H"	44.97116
"642129"	657.24086	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+2Na-H"	44.97116
"1142355"	249.06106	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2Na-H"	44.97116
"186982"	227.079118	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+2Na"	45.978436
"624476"	329.124068	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+2Na"	45.978436
"1124701"	125.034168	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2Na"	45.978436
"1404948"	83.6918706666667	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H+2Na"	46.985712
"1437062"	251.102646	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H+HCOOH"	47.012746
"231133"	232.11214	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+3H2O+2H"	56.04448
"1521384"	265.15469	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+IsoProp+H"	61.06479
"417787"	235.066088	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+Na+K"	61.952376
"777688"	337.111038	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+Na+K"	61.952376
"1676209"	133.021138	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Na+K"	61.952376
"260539"	472.195568	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+ACN+Na"	64.015768
"1231061"	268.105668	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+ACN+Na"	64.015768
"1715205"	268.129193	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+NH4+HCOOH"	64.039293
"1179223"	91.0191846666667	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+3Na"	68.967654
"1657382"	273.084588	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Na+HCOOH"	68.994688
"159869"	485.09884	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+2K-H"	76.91904
"604541"	689.18874	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+2K-H"	76.91904
"1089414"	281.00894	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2K-H"	76.91904
"147323"	243.053058	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"2M+2K"	77.926316
"590177"	345.098008	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"3M+2K"	77.926316
"1079063"	141.008108	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2K"	77.926316
"1106802"	283.023492	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2K+H"	78.933592
"1347562"	283.111107	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+DMSO+H"	79.021207
"1017191"	287.150276	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2ACN+H"	83.060376
"1535311"	288.143908	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+IsoProp+Na+H"	84.054008
"999576"	144.078776	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+2ACN+2H"	84.067652
"1599542"	289.058528	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+K+HCOOH"	84.968628
"1424114"	319.090038	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+H+CF3COOH"	115.000138
"1158772"	164.592051	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+3ACN+2H"	125.094202
"1703948"	336.116585	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+NH4+CF3COOH"	132.026685
"1636318"	341.07198	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+Na+CF3COOH"	136.98208
"1580720"	357.04592	"C07839"	"Ethotoin"	"C11H12N2O2"	"204.0899"	"M+K+CF3COOH"	152.95602
"815828"	362.0668	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M"	0
"979152"	343.04841	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-H2O-H"	-19.01839
"73956"	240.370590666667	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M-3H"	-3.021828
"511331"	361.059524	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M-3H"	-3.021828
"891325"	119.681657333333	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-3H"	-3.021828
"12085"	361.059524	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M-2H"	-2.014552
"446177"	542.092924	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M-2H"	-2.014552
"825073"	180.026124	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-2H"	-2.014552
"86157"	723.126324	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M-H"	-1.007276
"523530"	1085.193124	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M-H"	-1.007276
"898172"	361.059524	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-H"	-1.007276
"57897"	740.152871	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M-2H+NH4"	16.019271
"492722"	1102.219671	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M-2H+NH4"	16.019271
"869794"	378.086071	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-2H+NH4"	16.019271
"40977"	745.108266	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M-2H+Na"	20.974666
"483818"	1107.175066	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M-2H+Na"	20.974666
"856516"	383.041466	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-2H+Na"	20.974666
"1623862"	383.041466	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Na-2H"	20.974666
"98201"	379.047863	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M-H+Cl"	33.962126
"539585"	560.081263	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M-H+Cl"	33.962126
"928724"	198.014463	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-H+Cl"	33.962126
"268375"	759.103002	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+Cl"	34.969402
"666265"	1121.169802	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+Cl"	34.969402
"1278668"	397.036202	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Cl"	34.969402
"25600"	761.082206	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M-2H+K"	36.948606
"465161"	1123.149006	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M-2H+K"	36.948606
"839682"	399.015406	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-2H+K"	36.948606
"1558063"	399.015406	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+K-2H"	36.948606
"945582"	407.064994	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-H+HCOOH"	44.998194
"362215"	769.131801	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+HCOOH-H"	44.998201
"347686"	783.147451	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+Hac-H"	59.013851
"1497614"	421.080651	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Hac-H"	59.013851
"961877"	429.046951	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-H+NaCOOH"	66.980151
"111145"	397.036202	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+2Cl"	69.938804
"560188"	578.069602	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+2Cl"	69.938804
"1036522"	216.002802	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2Cl"	69.938804
"1256996"	440.985685	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Br"	78.918885
"1317575"	443.041672	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Cl+HCOOH"	80.974872
"1333615"	465.023629	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Cl+NaCOOH"	102.956829
"911913"	475.052386	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M-H+CF3COOH"	112.985586
"1295182"	511.029064	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Cl+CF3COOH"	148.962264
"1368972"	327.054124	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H-2H2O"	-35.012676
"1385373"	345.0641	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H-H2O"	-17.0027
"289434"	725.140876	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+H"	1.007276
"679670"	1087.207676	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+H"	1.007276
"1362578"	363.074076	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H"	1.007276
"131094"	363.074076	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+2H"	2.014552
"577215"	544.107476	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+2H"	2.014552
"1047110"	182.040676	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2H"	2.014552
"216104"	242.385142666667	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+3H"	3.021828
"652385"	363.074076	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+3H"	3.021828
"1174885"	121.696209333333	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+3H"	3.021828
"432688"	742.167423	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+NH4"	18.033823
"787491"	1104.234223	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+NH4"	18.033823
"1681391"	380.100623	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+NH4"	18.033823
"332826"	371.5873495	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+H+NH4"	19.041099
"723790"	552.6207495	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+H+NH4"	19.041099
"1478340"	190.5539495	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H+NH4"	19.041099
"395195"	747.122818	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+Na"	22.989218
"755099"	1109.189618	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+Na"	22.989218
"1605386"	385.056018	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Na"	22.989218
"317240"	374.065047	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+H+Na"	23.996494
"709662"	555.098447	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+H+Na"	23.996494
"1462515"	193.031647	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H+Na"	23.996494
"1053696"	129.023523333333	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2H+Na"	25.00377
"1258049"	395.100286	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+CH3OH+H"	33.033486
"378321"	763.096758	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+K"	38.963158
"739562"	1125.163558	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+K"	38.963158
"1541492"	401.029958	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+K"	38.963158
"299153"	382.052017	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+H+K"	39.970434
"692185"	563.085417	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+H+K"	39.970434
"1447101"	201.018617	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H+K"	39.970434
"236802"	766.167426	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+ACN+H"	42.033826
"1211083"	404.100626	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+ACN+H"	42.033826
"1195332"	202.553951	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+ACN+2H"	43.041102
"200489"	769.10476	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+2Na-H"	44.97116
"641145"	1131.17156	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+2Na-H"	44.97116
"1144286"	407.03796	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2Na-H"	44.97116
"183566"	385.056018	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+2Na"	45.978436
"623493"	566.089418	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+2Na"	45.978436
"1127727"	204.022618	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2Na"	45.978436
"1407245"	136.350837333333	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H+2Na"	46.985712
"1434986"	409.079546	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H+HCOOH"	47.012746
"227963"	390.08904	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+3H2O+2H"	56.04448
"1519307"	423.13159	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+IsoProp+H"	61.06479
"416804"	393.042988	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+Na+K"	61.952376
"776705"	574.076388	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+Na+K"	61.952376
"1676321"	212.009588	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Na+K"	61.952376
"259557"	788.149368	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+ACN+Na"	64.015768
"1231171"	426.082568	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+ACN+Na"	64.015768
"1712843"	426.106093	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+NH4+HCOOH"	64.039293
"1178682"	143.678151333333	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+3Na"	68.967654
"1657492"	431.061488	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Na+HCOOH"	68.994688
"158883"	801.05264	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+2K-H"	76.91904
"603921"	1163.11944	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+2K-H"	76.91904
"1090618"	438.98584	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2K-H"	76.91904
"146339"	401.029958	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"2M+2K"	77.926316
"591380"	582.063358	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"3M+2K"	77.926316
"1079173"	219.996558	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2K"	77.926316
"1106912"	441.000392	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2K+H"	78.933592
"1340016"	441.088007	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+DMSO+H"	79.021207
"1019605"	445.127176	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2ACN+H"	83.060376
"1536515"	446.120808	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+IsoProp+Na+H"	84.054008
"1002965"	223.067226	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+2ACN+2H"	84.067652
"1599652"	447.035428	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+K+HCOOH"	84.968628
"1425317"	477.066938	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+H+CF3COOH"	115.000138
"1158881"	243.580501	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+3ACN+2H"	125.094202
"1706244"	494.093485	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+NH4+CF3COOH"	132.026685
"1637522"	499.04888	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+Na+CF3COOH"	136.98208
"1580830"	515.02282	"C07840"	"Fosphenytoin"	"C16H15N2O6P"	"362.0668"	"M+K+CF3COOH"	152.95602
"815209"	170.1055	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M"	0
"984730"	151.08711	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-H2O-H"	-19.01839
"74066"	112.396390666667	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M-3H"	-3.021828
"511441"	169.098224	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M-3H"	-3.021828
"893622"	55.6945573333333	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-3H"	-3.021828
"12198"	169.098224	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M-2H"	-2.014552
"451755"	254.150974	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M-2H"	-2.014552
"826276"	84.045474	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-2H"	-2.014552
"86267"	339.203724	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M-H"	-1.007276
"524733"	509.309224	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M-H"	-1.007276
"898161"	169.098224	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-H"	-1.007276
"54727"	356.230271	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M-2H+NH4"	16.019271
"492468"	526.335771	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M-2H+NH4"	16.019271
"869904"	186.124771	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-2H+NH4"	16.019271
"44366"	361.185666	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M-2H+Na"	20.974666
"485023"	531.291166	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M-2H+Na"	20.974666
"858449"	191.080166	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-2H+Na"	20.974666
"1622514"	191.080166	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Na-2H"	20.974666
"96853"	187.086563	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M-H+Cl"	33.962126
"537508"	272.139313	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M-H+Cl"	33.962126
"928471"	102.033813	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-H+Cl"	33.962126
"269580"	375.180402	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+Cl"	34.969402
"668563"	545.285902	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+Cl"	34.969402
"1278780"	205.074902	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Cl"	34.969402
"25710"	377.159606	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M-2H+K"	36.948606
"466364"	547.265106	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M-2H+K"	36.948606
"840885"	207.054106	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-2H+K"	36.948606
"1561092"	207.054106	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+K-2H"	36.948606
"945330"	215.103694	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-H+HCOOH"	44.998194
"363181"	385.209201	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+HCOOH-H"	44.998201
"348523"	399.224851	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+Hac-H"	59.013851
"1497724"	229.119351	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Hac-H"	59.013851
"964174"	237.085651	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-H+NaCOOH"	66.980151
"111497"	205.074902	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+2Cl"	69.938804
"557018"	290.127652	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+2Cl"	69.938804
"1035296"	120.022152	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2Cl"	69.938804
"1256862"	249.024385	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Br"	78.918885
"1318414"	251.080372	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Cl+HCOOH"	80.974872
"1334454"	273.062329	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Cl+NaCOOH"	102.956829
"915305"	283.091086	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M-H+CF3COOH"	112.985586
"1297480"	319.067764	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Cl+CF3COOH"	148.962264
"1377827"	135.092824	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H-2H2O"	-35.012676
"1389857"	153.1028	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H-H2O"	-17.0027
"292824"	341.218276	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+H"	1.007276
"688527"	511.323776	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+H"	1.007276
"1364511"	171.112776	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H"	1.007276
"136671"	171.112776	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+2H"	2.014552
"575137"	256.165526	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+2H"	2.014552
"1049407"	86.060026	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2H"	2.014552
"217308"	114.410942666667	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+3H"	3.021828
"651402"	171.112776	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+3H"	3.021828
"1173902"	57.7091093333333	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+3H"	3.021828
"429518"	358.244823	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+NH4"	18.033823
"787233"	528.350323	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+NH4"	18.033823
"1685023"	188.139323	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+NH4"	18.033823
"334395"	179.6260495	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+H+NH4"	19.041099
"724630"	264.6787995	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+H+NH4"	19.041099
"1478205"	94.5732995	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H+NH4"	19.041099
"396034"	363.200218	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+Na"	22.989218
"755936"	533.305718	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+Na"	22.989218
"1605491"	193.094718	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Na"	22.989218
"316988"	182.103747	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+H+Na"	23.996494
"710866"	267.156497	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+H+Na"	23.996494
"1465419"	97.050997	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H+Na"	23.996494
"1055385"	65.0364233333333	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2H+Na"	25.00377
"1258523"	203.138986	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+CH3OH+H"	33.033486
"381105"	379.174158	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+K"	38.963158
"740642"	549.279658	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+K"	38.963158
"1541967"	209.068658	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+K"	38.963158
"299508"	190.090717	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+H+K"	39.970434
"693025"	275.143467	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+H+K"	39.970434
"1447576"	105.037967	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H+K"	39.970434
"236907"	382.244826	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+ACN+H"	42.033826
"1210589"	212.139326	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+ACN+H"	42.033826
"1195079"	106.573301	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+ACN+2H"	43.041102
"195495"	385.18216	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+2Na-H"	44.97116
"641255"	555.28766	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+2Na-H"	44.97116
"1141481"	215.07666	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2Na-H"	44.97116
"182947"	193.094718	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+2Na"	45.978436
"619229"	278.147468	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+2Na"	45.978436
"1129660"	108.041968	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2Na"	45.978436
"1405170"	72.3637373333333	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H+2Na"	46.985712
"1434003"	217.118246	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H+HCOOH"	47.012746
"231354"	198.12774	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+3H2O+2H"	56.04448
"1519416"	231.17029	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+IsoProp+H"	61.06479
"415821"	201.081688	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+Na+K"	61.952376
"773535"	286.134438	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+Na+K"	61.952376
"1674240"	116.028938	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Na+K"	61.952376
"259666"	404.226768	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+ACN+Na"	64.015768
"1231281"	234.121268	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+ACN+Na"	64.015768
"1713238"	234.144793	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+NH4+HCOOH"	64.039293
"1179078"	79.6910513333333	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+3Na"	68.967654
"1657602"	239.100188	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Na+HCOOH"	68.994688
"160086"	417.13004	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+2K-H"	76.91904
"608401"	587.23554	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+2K-H"	76.91904
"1090731"	247.02454	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2K-H"	76.91904
"148636"	209.068658	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"2M+2K"	77.926316
"584916"	294.121408	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"3M+2K"	77.926316
"1070030"	124.015908	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2K"	77.926316
"1100809"	249.039092	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2K+H"	78.933592
"1347782"	249.126707	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+DMSO+H"	79.021207
"1019230"	253.165876	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2ACN+H"	83.060376
"1535535"	254.159508	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+IsoProp+Na+H"	84.054008
"1000889"	127.086576	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+2ACN+2H"	84.067652
"1598669"	255.074128	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+K+HCOOH"	84.968628
"1425427"	285.105638	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+H+CF3COOH"	115.000138
"1158991"	147.599851	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+3ACN+2H"	125.094202
"1704168"	302.132185	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+NH4+CF3COOH"	132.026685
"1637632"	307.08758	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+Na+CF3COOH"	136.98208
"1580940"	323.06152	"C07841"	"Levetiracetam"	"C8H14N2O2"	"170.1055"	"M+K+CF3COOH"	152.95602
"804746"	273.0687	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M"	0
"984840"	254.05031	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-H2O-H"	-19.01839
"68708"	181.038524	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M-3H"	-3.021828
"514831"	272.061424	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M-3H"	-3.021828
"893734"	90.015624	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-3H"	-3.021828
"14131"	272.061424	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M-2H"	-2.014552
"454052"	408.595774	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M-2H"	-2.014552
"826386"	135.527074	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-2H"	-2.014552
"88564"	545.130124	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M-H"	-1.007276
"527031"	818.198824	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M-H"	-1.007276
"900458"	272.061424	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-H"	-1.007276
"54837"	562.156671	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M-2H+NH4"	16.019271
"493670"	835.225371	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M-2H+NH4"	16.019271
"868920"	289.087971	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-2H+NH4"	16.019271
"44476"	567.112066	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M-2H+Na"	20.974666
"484038"	840.180766	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M-2H+Na"	20.974666
"856371"	294.043366	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-2H+Na"	20.974666
"1621167"	294.043366	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Na-2H"	20.974666
"96964"	290.049763	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M-H+Cl"	33.962126
"536524"	426.584113	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M-H+Cl"	33.962126
"927851"	153.515413	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-H+Cl"	33.962126
"271877"	581.106802	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+Cl"	34.969402
"666485"	854.175502	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+Cl"	34.969402
"1275609"	308.038102	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Cl"	34.969402
"22540"	583.086006	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M-2H+K"	36.948606
"465380"	856.154706	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M-2H+K"	36.948606
"840995"	310.017306	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-2H+K"	36.948606
"1560109"	310.017306	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+K-2H"	36.948606
"946897"	318.066894	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-H+HCOOH"	44.998194
"366208"	591.135601	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+HCOOH-H"	44.998201
"346811"	605.151251	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+Hac-H"	59.013851
"1501114"	332.082551	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Hac-H"	59.013851
"965377"	340.048851	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-H+NaCOOH"	66.980151
"113188"	308.038102	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+2Cl"	69.938804
"559313"	444.572452	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+2Cl"	69.938804
"1035769"	171.503752	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2Cl"	69.938804
"1255347"	351.987585	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Br"	78.918885
"1319457"	354.043572	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Cl+HCOOH"	80.974872
"1333104"	376.025529	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Cl+NaCOOH"	102.956829
"917602"	386.054286	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M-H+CF3COOH"	112.985586
"1298683"	422.030964	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Cl+CF3COOH"	148.962264
"1377937"	238.056024	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H-2H2O"	-35.012676
"1392154"	256.066	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H-H2O"	-17.0027
"295850"	547.144676	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+H"	1.007276
"688637"	820.213376	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+H"	1.007276
"1364259"	274.075976	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H"	1.007276
"139334"	274.075976	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+2H"	2.014552
"578894"	410.610326	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+2H"	2.014552
"1049517"	137.541626	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2H"	2.014552
"219911"	183.053076	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+3H"	3.021828
"659534"	274.075976	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+3H"	3.021828
"1178024"	92.030176	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+3H"	3.021828
"430721"	564.171223	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+NH4"	18.033823
"795000"	837.239923	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+NH4"	18.033823
"1691331"	291.102523	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+NH4"	18.033823
"339609"	282.5892495	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+H+NH4"	19.041099
"729114"	419.1235995	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+H+NH4"	19.041099
"1485850"	146.0548995	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H+NH4"	19.041099
"400155"	569.126618	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+Na"	22.989218
"764430"	842.195318	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+Na"	22.989218
"1613623"	296.057918	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Na"	22.989218
"324752"	285.066947	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+H+Na"	23.996494
"716080"	421.601297	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+H+Na"	23.996494
"1470994"	148.532597	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H+Na"	23.996494
"1056954"	99.35749	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2H+Na"	25.00377
"1262642"	306.102186	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+CH3OH+H"	33.033486
"382311"	585.100558	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+K"	38.963158
"742214"	858.169258	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+K"	38.963158
"1543173"	312.031858	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+K"	38.963158
"299620"	293.053917	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+H+K"	39.970434
"694230"	429.588267	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+H+K"	39.970434
"1449874"	156.519567	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H+K"	39.970434
"237510"	588.171226	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+ACN+H"	42.033826
"1211555"	315.102526	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+ACN+H"	42.033826
"1199447"	158.054901	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+ACN+2H"	43.041102
"200342"	591.10856	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+2Na-H"	44.97116
"640272"	864.17726	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+2Na-H"	44.97116
"1139768"	318.03986	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2Na-H"	44.97116
"185245"	296.057918	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+2Na"	45.978436
"623712"	432.592268	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+2Na"	45.978436
"1129406"	159.523568	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2Na"	45.978436
"1406373"	106.684804	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H+2Na"	46.985712
"1435205"	320.081446	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H+HCOOH"	47.012746
"231465"	301.09094	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+3H2O+2H"	56.04448
"1520621"	334.13349	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+IsoProp+H"	61.06479
"415931"	304.044888	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+Na+K"	61.952376
"774739"	440.579238	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+Na+K"	61.952376
"1678724"	167.510538	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Na+K"	61.952376
"260870"	610.153168	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+ACN+Na"	64.015768
"1231391"	337.084468	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+ACN+Na"	64.015768
"1714077"	337.107993	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+NH4+HCOOH"	64.039293
"1180405"	114.012118	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+3Na"	68.967654
"1654431"	342.063388	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Na+HCOOH"	68.994688
"159589"	623.05644	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+2K-H"	76.91904
"608876"	896.12514	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+2K-H"	76.91904
"1090840"	349.98774	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2K-H"	76.91904
"149841"	312.031858	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"2M+2K"	77.926316
"583933"	448.566208	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"3M+2K"	77.926316
"1069899"	175.497508	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2K"	77.926316
"1101041"	352.002292	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2K+H"	78.933592
"1347892"	352.089907	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+DMSO+H"	79.021207
"1020068"	356.129076	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2ACN+H"	83.060376
"1539531"	357.122708	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+IsoProp+Na+H"	84.054008
"1003185"	178.568176	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+2ACN+2H"	84.067652
"1599872"	358.037328	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+K+HCOOH"	84.968628
"1425536"	388.068838	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+H+CF3COOH"	115.000138
"1156915"	199.081451	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+3ACN+2H"	125.094202
"1705371"	405.095385	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+NH4+CF3COOH"	132.026685
"1638835"	410.05078	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+Na+CF3COOH"	136.98208
"1581050"	426.02472	"C07843"	"Ketamine hydrochloride"	"C13H16ClNOHCl"	"273.0687"	"M+K+CF3COOH"	152.95602
"808136"	262.1317	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M"	0
"983857"	243.11331	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-H2O-H"	-19.01839
"68818"	173.747190666667	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M-3H"	-3.021828
"511661"	261.124424	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M-3H"	-3.021828
"891655"	86.3699573333333	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-3H"	-3.021828
"10229"	261.124424	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M-2H"	-2.014552
"447601"	392.190274	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M-2H"	-2.014552
"819935"	130.058574	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-2H"	-2.014552
"85393"	523.256124	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M-H"	-1.007276
"523861"	785.387824	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M-H"	-1.007276
"900568"	261.124424	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-H"	-1.007276
"54947"	540.282671	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M-2H+NH4"	16.019271
"493416"	802.414371	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M-2H+NH4"	16.019271
"869030"	278.150971	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-2H+NH4"	16.019271
"43493"	545.238066	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M-2H+Na"	20.974666
"479775"	807.369766	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M-2H+Na"	20.974666
"853201"	283.106366	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-2H+Na"	20.974666
"1627108"	283.106366	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Na-2H"	20.974666
"94645"	279.112763	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M-H+Cl"	33.962126
"537728"	410.178613	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M-H+Cl"	33.962126
"927233"	148.046913	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-H+Cl"	33.962126
"269801"	559.232802	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+Cl"	34.969402
"663315"	821.364502	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+Cl"	34.969402
"1274988"	297.101102	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Cl"	34.969402
"20461"	561.212006	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M-2H+K"	36.948606
"461115"	823.343706	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M-2H+K"	36.948606
"836364"	299.080306	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-2H+K"	36.948606
"1560219"	299.080306	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+K-2H"	36.948606
"944820"	307.129894	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-H+HCOOH"	44.998194
"366318"	569.261601	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+HCOOH-H"	44.998201
"346555"	583.277251	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+Hac-H"	59.013851
"1494662"	321.145551	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Hac-H"	59.013851
"964394"	329.111851	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-H+NaCOOH"	66.980151
"112205"	297.101102	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+2Cl"	69.938804
"559423"	428.166952	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+2Cl"	69.938804
"1034786"	166.035252	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2Cl"	69.938804
"1254364"	341.050585	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Br"	78.918885
"1317905"	343.106572	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Cl+HCOOH"	80.974872
"1332120"	365.088529	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Cl+NaCOOH"	102.956829
"917713"	375.117286	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M-H+CF3COOH"	112.985586
"1298794"	411.093964	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Cl+CF3COOH"	148.962264
"1378047"	227.119024	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H-2H2O"	-35.012676
"1393358"	245.129	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H-H2O"	-17.0027
"293043"	525.270676	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+H"	1.007276
"687655"	787.402376	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+H"	1.007276
"1362910"	263.138976	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H"	1.007276
"136893"	263.138976	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+2H"	2.014552
"576818"	394.204826	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+2H"	2.014552
"1052649"	132.073126	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2H"	2.014552
"218988"	175.761742666667	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+3H"	3.021828
"657455"	263.138976	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+3H"	3.021828
"1174122"	88.3845093333334	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+3H"	3.021828
"428644"	542.297223	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+NH4"	18.033823
"791830"	804.428923	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+NH4"	18.033823
"1688161"	280.165523	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+NH4"	18.033823
"335346"	271.6522495	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+H+NH4"	19.041099
"725215"	402.7180995	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+H+NH4"	19.041099
"1484866"	140.5863995	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H+NH4"	19.041099
"398079"	547.252618	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+Na"	22.989218
"760168"	809.384318	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+Na"	22.989218
"1609361"	285.120918	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Na"	22.989218
"321585"	274.129947	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+H+Na"	23.996494
"712910"	405.195797	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+H+Na"	23.996494
"1467824"	143.064097	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H+Na"	23.996494
"1063257"	95.7118233333333	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2H+Na"	25.00377
"1263845"	295.165186	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+CH3OH+H"	33.033486
"381328"	563.226558	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+K"	38.963158
"739205"	825.358258	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+K"	38.963158
"1541218"	301.094858	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+K"	38.963158
"298919"	282.116917	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+H+K"	39.970434
"696163"	413.182767	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+H+K"	39.970434
"1454357"	151.051067	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H+K"	39.970434
"237862"	566.297226	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+ACN+H"	42.033826
"1211422"	304.165526	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+ACN+H"	42.033826
"1197371"	152.586401	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+ACN+2H"	43.041102
"196808"	569.23456	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+2Na-H"	44.97116
"640018"	831.36626	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+2Na-H"	44.97116
"1140607"	307.10286	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2Na-H"	44.97116
"186448"	285.120918	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+2Na"	45.978436
"623458"	416.186768	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+2Na"	45.978436
"1129880"	154.055068	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2Na"	45.978436
"1403203"	103.039137333333	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H+2Na"	46.985712
"1433857"	309.144446	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H+HCOOH"	47.012746
"231574"	290.15394	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+3H2O+2H"	56.04448
"1518544"	323.19649	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+IsoProp+H"	61.06479
"416041"	293.107888	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+Na+K"	61.952376
"774849"	424.173738	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+Na+K"	61.952376
"1675554"	162.042038	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Na+K"	61.952376
"259887"	588.279168	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+ACN+Na"	64.015768
"1232595"	326.147468	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+ACN+Na"	64.015768
"1713823"	326.170993	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+NH4+HCOOH"	64.039293
"1181367"	110.366451333333	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+3Na"	68.967654
"1654541"	331.126388	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Na+HCOOH"	68.994688
"159214"	601.18244	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+2K-H"	76.91904
"606435"	863.31414	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+2K-H"	76.91904
"1090950"	339.05074	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2K-H"	76.91904
"149951"	301.094858	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"2M+2K"	77.926316
"581852"	432.160708	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"3M+2K"	77.926316
"1068602"	170.029008	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2K"	77.926316
"1101765"	341.065292	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2K+H"	78.933592
"1342533"	341.152907	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+DMSO+H"	79.021207
"1009968"	345.192076	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2ACN+H"	83.060376
"1538305"	346.185708	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+IsoProp+Na+H"	84.054008
"1004025"	173.099676	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+2ACN+2H"	84.067652
"1599982"	347.100328	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+K+HCOOH"	84.968628
"1428925"	377.131838	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+H+CF3COOH"	115.000138
"1159211"	193.612951	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+3ACN+2H"	125.094202
"1705481"	394.158385	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+NH4+CF3COOH"	132.026685
"1638946"	399.11378	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+Na+CF3COOH"	136.98208
"1581160"	415.08772	"C07844"	"Methohexital"	"C14H18N2O3"	"262.1317"	"M+K+CF3COOH"	152.95602
"808246"	254.1089	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M"	0
"985060"	235.09051	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-H2O-H"	-19.01839
"68928"	168.398657333333	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M-3H"	-3.021828
"511771"	253.101624	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M-3H"	-3.021828
"891765"	83.6956906666667	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-3H"	-3.021828
"11432"	253.101624	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M-2H"	-2.014552
"447711"	380.156074	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M-2H"	-2.014552
"821138"	126.047174	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-2H"	-2.014552
"85503"	507.210524	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M-H"	-1.007276
"525064"	761.319424	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M-H"	-1.007276
"899585"	253.101624	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-H"	-1.007276
"53964"	524.237071	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M-2H+NH4"	16.019271
"492797"	778.345971	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M-2H+NH4"	16.019271
"868410"	270.128171	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-2H+NH4"	16.019271
"38135"	529.192466	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M-2H+Na"	20.974666
"480978"	783.301366	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M-2H+Na"	20.974666
"859871"	275.083566	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-2H+Na"	20.974666
"1627218"	275.083566	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Na-2H"	20.974666
"95726"	271.089963	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M-H+Cl"	33.962126
"537837"	398.144413	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M-H+Cl"	33.962126
"928436"	144.035513	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-H+Cl"	33.962126
"273191"	543.187202	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+Cl"	34.969402
"664516"	797.296102	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+Cl"	34.969402
"1276557"	289.078302	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Cl"	34.969402
"19115"	545.166406	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M-2H+K"	36.948606
"460498"	799.275306	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M-2H+K"	36.948606
"840122"	291.057506	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-2H+K"	36.948606
"1560330"	291.057506	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+K-2H"	36.948606
"946025"	299.107094	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-H+HCOOH"	44.998194
"363874"	553.216001	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+HCOOH-H"	44.998201
"347032"	567.231651	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+Hac-H"	59.013851
"1493676"	313.122751	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Hac-H"	59.013851
"964504"	321.089051	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-H+NaCOOH"	66.980151
"114502"	289.078302	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+2Cl"	69.938804
"562813"	416.132752	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+2Cl"	69.938804
"1034896"	162.023852	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2Cl"	69.938804
"1254474"	333.027785	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Br"	78.918885
"1319354"	335.083772	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Cl+HCOOH"	80.974872
"1334783"	357.065729	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Cl+NaCOOH"	102.956829
"917822"	367.094486	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M-H+CF3COOH"	112.985586
"1303483"	403.071164	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Cl+CF3COOH"	148.962264
"1382168"	219.096224	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H-2H2O"	-35.012676
"1397600"	237.1062	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H-H2O"	-17.0027
"296433"	509.225076	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+H"	1.007276
"689952"	763.333976	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+H"	1.007276
"1365207"	255.116176	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H"	1.007276
"137002"	255.116176	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+2H"	2.014552
"574377"	382.170626	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+2H"	2.014552
"1051926"	128.061726	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2H"	2.014552
"214358"	170.413209333333	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+3H"	3.021828
"655012"	255.116176	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+3H"	3.021828
"1177512"	85.7102426666667	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+3H"	3.021828
"430940"	526.251623	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+NH4"	18.033823
"791941"	780.360523	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+NH4"	18.033823
"1688271"	272.142723	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+NH4"	18.033823
"335820"	263.6294495	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+H+NH4"	19.041099
"727146"	390.6838995	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+H+NH4"	19.041099
"1484248"	136.5749995	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H+NH4"	19.041099
"398191"	531.207018	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+Na"	22.989218
"761374"	785.315918	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+Na"	22.989218
"1609470"	277.098118	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Na"	22.989218
"322789"	266.107147	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+H+Na"	23.996494
"719583"	393.161597	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+H+Na"	23.996494
"1471217"	139.052697	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H+Na"	23.996494
"1063369"	93.0375566666667	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2H+Na"	25.00377
"1266139"	287.142386	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+CH3OH+H"	33.033486
"382532"	547.180958	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+K"	38.963158
"742433"	801.289858	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+K"	38.963158
"1543391"	293.072058	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+K"	38.963158
"303848"	274.094117	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+H+K"	39.970434
"699552"	401.148567	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+H+K"	39.970434
"1453372"	147.039667	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H+K"	39.970434
"238701"	550.251626	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+ACN+H"	42.033826
"1214686"	296.142726	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+ACN+H"	42.033826
"1202943"	148.575001	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+ACN+2H"	43.041102
"196918"	553.18896	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+2Na-H"	44.97116
"641221"	807.29786	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+2Na-H"	44.97116
"1142174"	299.08006	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2Na-H"	44.97116
"186801"	277.098118	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+2Na"	45.978436
"624661"	404.152568	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+2Na"	45.978436
"1125251"	150.043668	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2Na"	45.978436
"1404406"	100.364870666667	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H+2Na"	46.985712
"1433967"	301.121646	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H+HCOOH"	47.012746
"230591"	282.13114	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+3H2O+2H"	56.04448
"1518654"	315.17369	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+IsoProp+H"	61.06479
"416151"	285.085088	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+Na+K"	61.952376
"774959"	412.139538	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+Na+K"	61.952376
"1675300"	158.030638	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Na+K"	61.952376
"261090"	572.233568	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+ACN+Na"	64.015768
"1229425"	318.124668	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+ACN+Na"	64.015768
"1718306"	318.148193	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+NH4+HCOOH"	64.039293
"1183663"	107.692184666667	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+3Na"	68.967654
"1654648"	323.103588	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Na+HCOOH"	68.994688
"161510"	585.13684	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+2K-H"	76.91904
"604359"	839.24574	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+2K-H"	76.91904
"1092517"	331.02794	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2K-H"	76.91904
"147874"	293.072058	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"2M+2K"	77.926316
"582329"	420.126508	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"3M+2K"	77.926316
"1069268"	166.017608	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2K"	77.926316
"1100033"	333.042492	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2K+H"	78.933592
"1342643"	333.130107	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+DMSO+H"	79.021207
"1011171"	337.169276	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2ACN+H"	83.060376
"1539740"	338.162908	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+IsoProp+Na+H"	84.054008
"1004743"	169.088276	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+2ACN+2H"	84.067652
"1599728"	339.077528	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+K+HCOOH"	84.968628
"1429645"	369.109038	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+H+CF3COOH"	115.000138
"1159321"	189.601551	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+3ACN+2H"	125.094202
"1705591"	386.135585	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+NH4+CF3COOH"	132.026685
"1637961"	391.09098	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+Na+CF3COOH"	136.98208
"1581270"	407.06492	"C07846"	"Thiamylal;5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid"	"C12H18N2O2S"	"254.1089"	"M+K+CF3COOH"	152.95602
"808356"	340.1913	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M"	0
"985170"	321.17291	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-H2O-H"	-19.01839
"67945"	225.786924	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M-3H"	-3.021828
"511881"	339.184024	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M-3H"	-3.021828
"891875"	112.389824	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-3H"	-3.021828
"10449"	339.184024	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M-2H"	-2.014552
"445634"	509.279674	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M-2H"	-2.014552
"821248"	169.088374	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-2H"	-2.014552
"85613"	679.375324	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M-H"	-1.007276
"525174"	1019.566624	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M-H"	-1.007276
"897626"	339.184024	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-H"	-1.007276
"55167"	696.401871	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M-2H+NH4"	16.019271
"494733"	1036.593171	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M-2H+NH4"	16.019271
"872534"	356.210571	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-2H+NH4"	16.019271
"37518"	701.357266	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M-2H+Na"	20.974666
"479995"	1041.548566	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M-2H+Na"	20.974666
"859982"	361.165966	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-2H+Na"	20.974666
"1628422"	361.165966	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Na-2H"	20.974666
"98389"	357.172363	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M-H+Cl"	33.962126
"538311"	527.268013	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M-H+Cl"	33.962126
"931466"	187.076713	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-H+Cl"	33.962126
"270748"	715.352002	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+Cl"	34.969402
"664263"	1055.543302	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+Cl"	34.969402
"1279220"	375.160702	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Cl"	34.969402
"22870"	717.331206	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M-2H+K"	36.948606
"463524"	1057.522506	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M-2H+K"	36.948606
"840232"	377.139906	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-2H+K"	36.948606
"1561534"	377.139906	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+K-2H"	36.948606
"948322"	385.189494	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-H+HCOOH"	44.998194
"364352"	725.380801	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+HCOOH-H"	44.998201
"352610"	739.396451	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+Hac-H"	59.013851
"1498163"	399.205151	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Hac-H"	59.013851
"966801"	407.171451	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-H+NaCOOH"	66.980151
"114612"	375.160702	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+2Cl"	69.938804
"563654"	545.256352	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+2Cl"	69.938804
"1035615"	205.065052	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2Cl"	69.938804
"1255314"	419.110185	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Br"	78.918885
"1319101"	421.166172	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Cl+HCOOH"	80.974872
"1334534"	443.148129	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Cl+NaCOOH"	102.956829
"926200"	453.176886	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M-H+CF3COOH"	112.985586
"1303024"	489.153564	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Cl+CF3COOH"	148.962264
"1382400"	305.178624	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H-2H2O"	-35.012676
"1396861"	323.1886	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H-H2O"	-17.0027
"295453"	681.389876	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+H"	1.007276
"687873"	1021.581176	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+H"	1.007276
"1363130"	341.198576	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H"	1.007276
"138202"	341.198576	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+2H"	2.014552
"575579"	511.294226	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+2H"	2.014552
"1051310"	171.102926	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2H"	2.014552
"218478"	227.801476	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+3H"	3.021828
"659500"	341.198576	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+3H"	3.021828
"1177624"	114.404376	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+3H"	3.021828
"428136"	698.416423	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+NH4"	18.033823
"792050"	1038.607723	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+NH4"	18.033823
"1687651"	358.225123	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+NH4"	18.033823
"335930"	349.7118495	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+H+NH4"	19.041099
"728351"	519.8074995	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+H+NH4"	19.041099
"1483996"	179.6161995	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H+NH4"	19.041099
"399394"	703.371818	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+Na"	22.989218
"763669"	1043.563118	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+Na"	22.989218
"1608123"	363.180518	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Na"	22.989218
"322898"	352.189547	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+H+Na"	23.996494
"718599"	522.285197	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+H+Na"	23.996494
"1469141"	182.093897	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H+Na"	23.996494
"1065666"	121.73169	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2H+Na"	25.00377
"1267345"	373.224786	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+CH3OH+H"	33.033486
"385922"	719.345758	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+K"	38.963158
"746916"	1059.537058	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+K"	38.963158
"1545688"	379.154458	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+K"	38.963158
"306147"	360.176517	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+H+K"	39.970434
"697475"	530.272167	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+H+K"	39.970434
"1454575"	190.080867	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H+K"	39.970434
"239905"	722.416426	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+ACN+H"	42.033826
"1218079"	382.225126	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+ACN+H"	42.033826
"1204876"	191.616201	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+ACN+2H"	43.041102
"193015"	725.35376	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+2Na-H"	44.97116
"642425"	1065.54506	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+2Na-H"	44.97116
"1142284"	385.16246	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2Na-H"	44.97116
"186668"	363.180518	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+2Na"	45.978436
"626229"	533.276168	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+2Na"	45.978436
"1127548"	193.084868	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2Na"	45.978436
"1404516"	129.059004	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H+2Na"	46.985712
"1434806"	387.204046	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H+HCOOH"	47.012746
"227420"	368.21354	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+3H2O+2H"	56.04448
"1518400"	401.25609	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+IsoProp+H"	61.06479
"412981"	371.167488	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+Na+K"	61.952376
"773971"	541.263138	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+Na+K"	61.952376
"1669209"	201.071838	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Na+K"	61.952376
"259013"	744.398368	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+ACN+Na"	64.015768
"1230628"	404.207068	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+ACN+Na"	64.015768
"1718418"	404.230593	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+NH4+HCOOH"	64.039293
"1184865"	136.386318	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+3Na"	68.967654
"1654030"	409.185988	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Na+HCOOH"	68.994688
"161621"	757.30164	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+2K-H"	76.91904
"601188"	1097.49294	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+2K-H"	76.91904
"1092991"	417.11034	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2K-H"	76.91904
"147984"	379.154458	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"2M+2K"	77.926316
"583170"	549.250108	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"3M+2K"	77.926316
"1070349"	209.058808	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2K"	77.926316
"1100401"	419.124892	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2K+H"	78.933592
"1342750"	419.212507	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+DMSO+H"	79.021207
"1010187"	423.251676	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2ACN+H"	83.060376
"1526122"	424.245308	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+IsoProp+Na+H"	84.054008
"990622"	212.129476	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+2ACN+2H"	84.067652
"1598015"	425.159928	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+K+HCOOH"	84.968628
"1429511"	455.191438	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+H+CF3COOH"	115.000138
"1158338"	232.642751	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+3ACN+2H"	125.094202
"1705701"	472.217985	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+NH4+CF3COOH"	132.026685
"1638071"	477.17338	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+Na+CF3COOH"	136.98208
"1581380"	493.14732	"C07849"	"Methantheline"	"C21H26NO3"	"340.1913"	"M+K+CF3COOH"	152.95602
"805186"	344.21	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M"	0
"985280"	325.19161	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-H2O-H"	-19.01839
"68055"	228.466057333333	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M-3H"	-3.021828
"505060"	343.202724	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M-3H"	-3.021828
"893078"	113.729390666667	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-3H"	-3.021828
"10559"	343.202724	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M-2H"	-2.014552
"446837"	515.307724	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M-2H"	-2.014552
"821358"	171.097724	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-2H"	-2.014552
"85723"	687.412724	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M-H"	-1.007276
"519936"	1031.622724	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M-H"	-1.007276
"897616"	343.202724	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-H"	-1.007276
"55275"	704.439271	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M-2H+NH4"	16.019271
"495936"	1048.649271	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M-2H+NH4"	16.019271
"872643"	360.229271	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-2H+NH4"	16.019271
"38358"	709.394666	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M-2H+Na"	20.974666
"477918"	1053.604666	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M-2H+Na"	20.974666
"858998"	365.184666	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-2H+Na"	20.974666
"1624157"	365.184666	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Na-2H"	20.974666
"96311"	361.191063	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M-H+Cl"	33.962126
"538421"	533.296063	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M-H+Cl"	33.962126
"929386"	189.086063	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-H+Cl"	33.962126
"276691"	723.389402	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+Cl"	34.969402
"666927"	1067.599402	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+Cl"	34.969402
"1280423"	379.179402	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Cl"	34.969402
"20794"	725.368606	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M-2H+K"	36.948606
"461450"	1069.578606	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M-2H+K"	36.948606
"844718"	381.158606	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-2H+K"	36.948606
"1561643"	381.158606	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+K-2H"	36.948606
"952808"	389.208194	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-H+HCOOH"	44.998194
"372117"	733.418201	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+HCOOH-H"	44.998201
"350533"	747.433851	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+Hac-H"	59.013851
"1504835"	403.223851	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Hac-H"	59.013851
"968004"	411.190151	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-H+NaCOOH"	66.980151
"115818"	379.179402	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+2Cl"	69.938804
"564375"	551.284402	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+2Cl"	69.938804
"1036456"	207.074402	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2Cl"	69.938804
"1255668"	423.128885	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Br"	78.918885
"1318236"	425.184872	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Cl+HCOOH"	80.974872
"1335376"	447.166829	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Cl+NaCOOH"	102.956829
"926837"	457.195586	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M-H+CF3COOH"	112.985586
"1303141"	493.172264	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Cl+CF3COOH"	148.962264
"1382152"	309.197324	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H-2H2O"	-35.012676
"1396974"	327.2073	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H-H2O"	-17.0027
"296294"	689.427276	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+H"	1.007276
"691269"	1033.637276	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+H"	1.007276
"1366159"	345.217276	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H"	1.007276
"137222"	345.217276	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+2H"	2.014552
"578970"	517.322276	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+2H"	2.014552
"1051423"	173.112276	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2H"	2.014552
"218957"	230.480609333333	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+3H"	3.021828
"659246"	345.217276	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+3H"	3.021828
"1177009"	115.743942666667	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+3H"	3.021828
"437360"	706.453823	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+NH4"	18.033823
"794347"	1050.663823	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+NH4"	18.033823
"1690677"	362.243823	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+NH4"	18.033823
"340049"	353.7305495	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+H+NH4"	19.041099
"729192"	525.8355495	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+H+NH4"	19.041099
"1486292"	181.6255495	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H+NH4"	19.041099
"402786"	711.409218	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+Na"	22.989218
"764873"	1055.619218	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+Na"	22.989218
"1611879"	367.199218	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Na"	22.989218
"320821"	356.208247	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+H+Na"	23.996494
"718709"	528.313247	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+H+Na"	23.996494
"1476177"	184.103247	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H+Na"	23.996494
"1067599"	123.071256666667	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2H+Na"	25.00377
"1268548"	377.243486	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+CH3OH+H"	33.033486
"383843"	727.383158	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+K"	38.963158
"742655"	1071.593158	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+K"	38.963158
"1550175"	383.173158	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+K"	38.963158
"306256"	364.195217	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+H+K"	39.970434
"700865"	536.300217	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+H+K"	39.970434
"1454685"	192.090217	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H+K"	39.970434
"246573"	730.453826	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+ACN+H"	42.033826
"1217097"	386.243826	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+ACN+H"	42.033826
"1204259"	193.625551	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+ACN+2H"	43.041102
"199314"	733.39116	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+2Na-H"	44.97116
"634508"	1077.60116	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+2Na-H"	44.97116
"1146571"	389.18116	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2Na-H"	44.97116
"185683"	367.199218	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+2Na"	45.978436
"625245"	539.304218	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+2Na"	45.978436
"1128751"	195.094218	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2Na"	45.978436
"1404626"	130.398570666667	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H+2Na"	46.985712
"1436741"	391.222746	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H+HCOOH"	47.012746
"230813"	372.23224	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+3H2O+2H"	56.04448
"1519969"	405.27479	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+IsoProp+H"	61.06479
"417466"	375.186188	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+Na+K"	61.952376
"776271"	547.291188	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+Na+K"	61.952376
"1671505"	203.081188	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Na+K"	61.952376
"261311"	752.435768	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+ACN+Na"	64.015768
"1237298"	408.225768	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+ACN+Na"	64.015768
"1719623"	408.249293	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+NH4+HCOOH"	64.039293
"1190442"	137.725884666667	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+3Na"	68.967654
"1658151"	413.204688	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Na+HCOOH"	68.994688
"167198"	765.33904	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+2K-H"	76.91904
"602391"	1109.54904	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+2K-H"	76.91904
"1086904"	421.12904	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2K-H"	76.91904
"142626"	383.173158	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"2M+2K"	77.926316
"582184"	555.278158	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"3M+2K"	77.926316
"1070458"	211.068158	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2K"	77.926316
"1101240"	423.143592	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2K+H"	78.933592
"1340673"	423.231207	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+DMSO+H"	79.021207
"1011388"	427.270376	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2ACN+H"	83.060376
"1526232"	428.264008	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+IsoProp+Na+H"	84.054008
"991220"	214.138826	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+2ACN+2H"	84.067652
"1591560"	429.178628	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+K+HCOOH"	84.968628
"1425974"	459.210138	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+H+CF3COOH"	115.000138
"1154073"	234.652101	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+3ACN+2H"	125.094202
"1702531"	476.236685	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+NH4+CF3COOH"	132.026685
"1635022"	481.19208	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+Na+CF3COOH"	136.98208
"1581490"	497.16602	"C07851"	"Oxyphencyclimine"	"C20H28N2O3"	"344.21"	"M+K+CF3COOH"	152.95602
"805296"	367.2147	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M"	0
"985390"	348.19631	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-H2O-H"	-19.01839
"69258"	243.802524	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M-3H"	-3.021828
"503469"	366.207424	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M-3H"	-3.021828
"894647"	121.397624	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-3H"	-3.021828
"9576"	366.207424	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M-2H"	-2.014552
"445854"	549.814774	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M-2H"	-2.014552
"819282"	182.600074	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-2H"	-2.014552
"85833"	733.422124	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M-H"	-1.007276
"519561"	1100.636824	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M-H"	-1.007276
"897724"	366.207424	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-H"	-1.007276
"53199"	750.448671	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M-2H+NH4"	16.019271
"496046"	1117.663371	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M-2H+NH4"	16.019271
"870566"	383.233971	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-2H+NH4"	16.019271
"40654"	755.404066	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M-2H+Na"	20.974666
"479121"	1122.618766	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M-2H+Na"	20.974666
"859108"	388.189366	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-2H+Na"	20.974666
"1624267"	388.189366	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Na-2H"	20.974666
"101888"	384.195763	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M-H+Cl"	33.962126
"538167"	567.803113	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M-H+Cl"	33.962126
"929132"	200.588413	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-H+Cl"	33.962126
"272427"	769.398802	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+Cl"	34.969402
"664851"	1136.613502	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+Cl"	34.969402
"1280534"	402.184102	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Cl"	34.969402
"17989"	771.378006	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M-2H+K"	36.948606
"461560"	1138.592706	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M-2H+K"	36.948606
"839362"	404.163306	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-2H+K"	36.948606
"1559566"	404.163306	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+K-2H"	36.948606
"949638"	412.212894	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-H+HCOOH"	44.998194
"372227"	779.427601	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+HCOOH-H"	44.998201
"350644"	793.443251	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+Hac-H"	59.013851
"1499477"	426.228551	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Hac-H"	59.013851
"961554"	434.194851	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-H+NaCOOH"	66.980151
"125284"	402.184102	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+2Cl"	69.938804
"564848"	585.791452	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+2Cl"	69.938804
"1036445"	218.576752	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2Cl"	69.938804
"1256874"	446.133585	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Br"	78.918885
"1318710"	448.189572	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Cl+HCOOH"	80.974872
"1335323"	470.171529	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Cl+NaCOOH"	102.956829
"925808"	480.200286	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M-H+CF3COOH"	112.985586
"1303247"	516.176964	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Cl+CF3COOH"	148.962264
"1381170"	332.202024	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H-2H2O"	-35.012676
"1397814"	350.212	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H-H2O"	-17.0027
"297500"	735.436676	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+H"	1.007276
"690163"	1102.651376	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+H"	1.007276
"1366392"	368.221976	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H"	1.007276
"140133"	368.221976	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+2H"	2.014552
"580061"	551.829326	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+2H"	2.014552
"1051169"	184.614626	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2H"	2.014552
"218339"	245.817076	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+3H"	3.021828
"658870"	368.221976	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+3H"	3.021828
"1176389"	123.412176	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+3H"	3.021828
"434555"	752.463223	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+NH4"	18.033823
"794458"	1119.677923	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+NH4"	18.033823
"1690787"	385.248523	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+NH4"	18.033823
"341252"	376.7352495	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+H+NH4"	19.041099
"731122"	560.3425995	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+H+NH4"	19.041099
"1484215"	193.1278995	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H+NH4"	19.041099
"398521"	757.418618	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+Na"	22.989218
"763890"	1124.633318	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+Na"	22.989218
"1609801"	390.203918	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Na"	22.989218
"319837"	379.212947	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+H+Na"	23.996494
"717725"	562.820297	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+H+Na"	23.996494
"1473736"	195.605597	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H+Na"	23.996494
"1063700"	130.73949	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2H+Na"	25.00377
"1264285"	400.248186	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+CH3OH+H"	33.033486
"380674"	773.392558	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+K"	38.963158
"747136"	1140.607258	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+K"	38.963158
"1549192"	406.177858	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+K"	38.963158
"306365"	387.199917	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+H+K"	39.970434
"698789"	570.807267	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+H+K"	39.970434
"1453702"	203.592567	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H+K"	39.970434
"242309"	776.463226	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+ACN+H"	42.033826
"1221581"	409.248526	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+ACN+H"	42.033826
"1204370"	205.127901	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+ACN+2H"	43.041102
"196511"	779.40056	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+2Na-H"	44.97116
"632795"	1146.61526	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+2Na-H"	44.97116
"1146397"	412.18586	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2Na-H"	44.97116
"184700"	390.203918	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+2Na"	45.978436
"622075"	573.811268	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+2Na"	45.978436
"1128861"	206.596568	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2Na"	45.978436
"1403642"	138.066804	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H+2Na"	46.985712
"1434662"	414.227446	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H+HCOOH"	47.012746
"230923"	395.23694	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+3H2O+2H"	56.04448
"1520078"	428.27949	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+IsoProp+H"	61.06479
"417576"	398.190888	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+Na+K"	61.952376
"776381"	581.798238	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+Na+K"	61.952376
"1671615"	214.583538	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Na+K"	61.952376
"259235"	798.445168	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+ACN+Na"	64.015768
"1236315"	431.230468	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+ACN+Na"	64.015768
"1720827"	431.253993	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+NH4+HCOOH"	64.039293
"1190552"	145.394118	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+3Na"	68.967654
"1658260"	436.209388	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Na+HCOOH"	68.994688
"164029"	811.34844	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+2K-H"	76.91904
"602501"	1178.56314	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+2K-H"	76.91904
"1084704"	444.13374	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2K-H"	76.91904
"142248"	406.177858	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"2M+2K"	77.926316
"582052"	589.785208	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"3M+2K"	77.926316
"1070327"	222.570508	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2K"	77.926316
"1101112"	446.148292	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2K+H"	78.933592
"1339690"	446.235907	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+DMSO+H"	79.021207
"1009312"	450.275076	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2ACN+H"	83.060376
"1525249"	451.268708	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+IsoProp+Na+H"	84.054008
"990967"	225.641176	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+2ACN+2H"	84.067652
"1590577"	452.183328	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+K+HCOOH"	84.968628
"1426084"	482.214838	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+H+CF3COOH"	115.000138
"1151997"	246.154451	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+3ACN+2H"	125.094202
"1700455"	499.241385	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+NH4+CF3COOH"	132.026685
"1640480"	504.19678	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+Na+CF3COOH"	136.98208
"1571757"	520.17072	"C07852"	"Propiverine"	"C23H29NO3"	"367.2147"	"M+K+CF3COOH"	152.95602
"805406"	352.1913	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M"	0
"985500"	333.17291	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-H2O-H"	-19.01839
"69368"	233.786924	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M-3H"	-3.021828
"505645"	351.184024	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M-3H"	-3.021828
"894518"	116.389824	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-3H"	-3.021828
"10779"	351.184024	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M-2H"	-2.014552
"444871"	527.279674	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M-2H"	-2.014552
"819392"	175.088374	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-2H"	-2.014552
"85943"	703.375324	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M-H"	-1.007276
"521493"	1055.566624	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M-H"	-1.007276
"897470"	351.184024	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-H"	-1.007276
"48933"	720.401871	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M-2H+NH4"	16.019271
"496156"	1072.593171	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M-2H+NH4"	16.019271
"870676"	368.210571	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-2H+NH4"	16.019271
"36025"	725.357266	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M-2H+Na"	20.974666
"476315"	1077.548566	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M-2H+Na"	20.974666
"857031"	373.165966	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-2H+Na"	20.974666
"1621461"	373.165966	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Na-2H"	20.974666
"97623"	369.172363	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M-H+Cl"	33.962126
"537913"	545.268013	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M-H+Cl"	33.962126
"928146"	193.076713	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-H+Cl"	33.962126
"271807"	739.352002	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+Cl"	34.969402
"672615"	1091.543302	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+Cl"	34.969402
"1280645"	387.160702	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Cl"	34.969402
"24297"	741.331206	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M-2H+K"	36.948606
"468234"	1093.522506	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M-2H+K"	36.948606
"847859"	389.139906	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-2H+K"	36.948606
"1558584"	389.139906	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+K-2H"	36.948606
"953029"	397.189494	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-H+HCOOH"	44.998194
"372337"	749.380801	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+HCOOH-H"	44.998201
"357317"	763.396451	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+Hac-H"	59.013851
"1505056"	411.205151	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Hac-H"	59.013851
"970412"	419.171451	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-H+NaCOOH"	66.980151
"124424"	387.160702	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+2Cl"	69.938804
"564348"	563.256352	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+2Cl"	69.938804
"1036433"	211.065052	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2Cl"	69.938804
"1255645"	431.110185	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Br"	78.918885
"1319272"	433.166172	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Cl+HCOOH"	80.974872
"1335432"	455.148129	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Cl+NaCOOH"	102.956829
"925921"	465.176886	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M-H+CF3COOH"	112.985586
"1299351"	501.153564	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Cl+CF3COOH"	148.962264
"1381642"	317.178624	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H-2H2O"	-35.012676
"1397681"	335.1886	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H-H2O"	-17.0027
"297975"	705.389876	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+H"	1.007276
"689546"	1057.581176	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+H"	1.007276
"1366623"	353.198576	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H"	1.007276
"139629"	353.198576	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+2H"	2.014552
"577378"	529.294226	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+2H"	2.014552
"1050913"	177.102926	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2H"	2.014552
"217723"	235.801476	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+3H"	3.021828
"650353"	353.198576	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+3H"	3.021828
"1176137"	118.404376	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+3H"	3.021828
"437827"	722.416423	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+NH4"	18.033823
"795660"	1074.607723	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+NH4"	18.033823
"1693451"	370.225123	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+NH4"	18.033823
"340999"	361.7118495	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+H+NH4"	19.041099
"730138"	537.8074995	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+H+NH4"	19.041099
"1482863"	185.6161995	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H+NH4"	19.041099
"397535"	727.371818	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+Na"	22.989218
"760719"	1079.563118	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+Na"	22.989218
"1607357"	375.180518	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Na"	22.989218
"322133"	364.189547	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+H+Na"	23.996494
"716741"	540.285197	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+H+Na"	23.996494
"1470567"	188.093897	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H+Na"	23.996494
"1060532"	125.73169	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2H+Na"	25.00377
"1266584"	385.224786	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+CH3OH+H"	33.033486
"380783"	743.345758	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+K"	38.963158
"748340"	1095.537058	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+K"	38.963158
"1552582"	391.154458	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+K"	38.963158
"307570"	372.176517	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+H+K"	39.970434
"699992"	548.272167	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+H+K"	39.970434
"1453814"	196.080867	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H+K"	39.970434
"245699"	746.416426	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+ACN+H"	42.033826
"1222418"	394.225126	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+ACN+H"	42.033826
"1204112"	197.616201	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+ACN+2H"	43.041102
"203432"	749.35376	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+2Na-H"	44.97116
"633635"	1101.54506	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+2Na-H"	44.97116
"1145536"	397.16246	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2Na-H"	44.97116
"181530"	375.180518	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+2Na"	45.978436
"622185"	551.276168	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+2Na"	45.978436
"1128971"	199.084868	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2Na"	45.978436
"1403752"	133.059004	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H+2Na"	46.985712
"1435500"	399.204046	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H+HCOOH"	47.012746
"231398"	380.21354	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+3H2O+2H"	56.04448
"1520189"	413.25609	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+IsoProp+H"	61.06479
"416593"	383.167488	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+Na+K"	61.952376
"777219"	559.263138	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+Na+K"	61.952376
"1673913"	207.071838	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Na+K"	61.952376
"259345"	768.398368	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+ACN+Na"	64.015768
"1235332"	416.207068	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+ACN+Na"	64.015768
"1723127"	416.230593	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+NH4+HCOOH"	64.039293
"1190298"	140.386318	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+3Na"	68.967654
"1658371"	421.185988	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Na+HCOOH"	68.994688
"164141"	781.30164	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+2K-H"	76.91904
"602611"	1133.49294	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+2K-H"	76.91904
"1084852"	429.11034	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2K-H"	76.91904
"141995"	391.154458	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"2M+2K"	77.926316
"582039"	567.250108	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"3M+2K"	77.926316
"1072384"	215.058808	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2K"	77.926316
"1102315"	431.124892	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2K+H"	78.933592
"1337610"	431.212507	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+DMSO+H"	79.021207
"1010515"	435.251676	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2ACN+H"	83.060376
"1525358"	436.245308	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+IsoProp+Na+H"	84.054008
"991805"	218.129476	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+2ACN+2H"	84.067652
"1589591"	437.159928	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+K+HCOOH"	84.968628
"1426194"	467.191438	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+H+CF3COOH"	115.000138
"1155388"	238.642751	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+3ACN+2H"	125.094202
"1706033"	484.217985	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+NH4+CF3COOH"	132.026685
"1640590"	489.17338	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+Na+CF3COOH"	136.98208
"1571867"	505.14732	"C07853"	"Clidinium"	"C22H26NO3"	"352.1913"	"M+K+CF3COOH"	152.95602
"805516"	318.2797	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M"	0
"984517"	299.26131	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-H2O-H"	-19.01839
"69478"	211.179190666667	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M-3H"	-3.021828
"505026"	317.272424	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M-3H"	-3.021828
"894989"	105.085957333333	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-3H"	-3.021828
"14169"	317.272424	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M-2H"	-2.014552
"446074"	476.412274	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M-2H"	-2.014552
"819502"	158.132574	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-2H"	-2.014552
"84960"	635.552124	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M-H"	-1.007276
"522332"	953.831824	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M-H"	-1.007276
"898311"	317.272424	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-H"	-1.007276
"50865"	652.578671	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M-2H+NH4"	16.019271
"498453"	970.858371	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M-2H+NH4"	16.019271
"871151"	334.298971	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-2H+NH4"	16.019271
"38689"	657.534066	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M-2H+Na"	20.974666
"476425"	975.813766	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M-2H+Na"	20.974666
"857141"	339.254366	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-2H+Na"	20.974666
"1619747"	339.254366	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Na-2H"	20.974666
"96273"	335.260763	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M-H+Cl"	33.962126
"538386"	494.400613	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M-H+Cl"	33.962126
"929350"	176.120913	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-H+Cl"	33.962126
"271188"	671.528802	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+Cl"	34.969402
"663977"	989.808502	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+Cl"	34.969402
"1276382"	353.249102	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Cl"	34.969402
"16994"	673.508006	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M-2H+K"	36.948606
"469802"	991.787706	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M-2H+K"	36.948606
"847241"	355.228306	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-2H+K"	36.948606
"1558694"	355.228306	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+K-2H"	36.948606
"953139"	363.277894	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-H+HCOOH"	44.998194
"372447"	681.557601	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+HCOOH-H"	44.998201
"351959"	695.573251	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+Hac-H"	59.013851
"1504802"	377.293551	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Hac-H"	59.013851
"970522"	385.259851	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-H+NaCOOH"	66.980151
"120524"	353.249102	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+2Cl"	69.938804
"561177"	512.388952	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+2Cl"	69.938804
"1035445"	194.109252	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2Cl"	69.938804
"1255756"	397.198585	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Br"	78.918885
"1318815"	399.254572	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Cl+HCOOH"	80.974872
"1334488"	421.236529	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Cl+NaCOOH"	102.956829
"925667"	431.265286	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M-H+CF3COOH"	112.985586
"1300555"	467.241964	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Cl+CF3COOH"	148.962264
"1381630"	283.267024	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H-2H2O"	-35.012676
"1397910"	301.277	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H-H2O"	-17.0027
"298089"	637.566676	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+H"	1.007276
"690140"	955.846376	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+H"	1.007276
"1366954"	319.286976	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H"	1.007276
"138646"	319.286976	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+2H"	2.014552
"580401"	478.426826	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+2H"	2.014552
"1052240"	160.147126	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2H"	2.014552
"217834"	213.193742666667	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+3H"	3.021828
"656660"	319.286976	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+3H"	3.021828
"1177462"	107.100509333333	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+3H"	3.021828
"437695"	654.593223	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+NH4"	18.033823
"796864"	972.872923	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+NH4"	18.033823
"1696111"	336.313523	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+NH4"	18.033823
"340380"	327.8002495	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+H+NH4"	19.041099
"730613"	486.9400995	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+H+NH4"	19.041099
"1480060"	168.6603995	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H+NH4"	19.041099
"398740"	659.548618	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+Na"	22.989218
"760828"	977.828318	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+Na"	22.989218
"1606741"	341.268918	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Na"	22.989218
"321150"	330.277947	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+H+Na"	23.996494
"717945"	489.417797	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+H+Na"	23.996494
"1469583"	171.138097	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H+Na"	23.996494
"1061735"	114.427823333333	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2H+Na"	25.00377
"1266694"	351.313186	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+CH3OH+H"	33.033486
"380894"	675.522558	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+K"	38.963158
"749543"	993.802258	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+K"	38.963158
"1550505"	357.242858	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+K"	38.963158
"308772"	338.264917	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+H+K"	39.970434
"699009"	497.404767	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+H+K"	39.970434
"1451739"	179.125067	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H+K"	39.970434
"244715"	678.593226	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+ACN+H"	42.033826
"1220705"	360.313526	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+ACN+H"	42.033826
"1204587"	180.660401	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+ACN+2H"	43.041102
"201108"	681.53056	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+2Na-H"	44.97116
"633379"	999.81026	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+2Na-H"	44.97116
"1145645"	363.25086	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2Na-H"	44.97116
"181640"	341.268918	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+2Na"	45.978436
"624482"	500.408768	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+2Na"	45.978436
"1125800"	182.129068	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2Na"	45.978436
"1401673"	121.755137333333	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H+2Na"	46.985712
"1433424"	365.292446	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H+HCOOH"	47.012746
"232235"	346.30194	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+3H2O+2H"	56.04448
"1521391"	379.34449	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+IsoProp+H"	61.06479
"416703"	349.255888	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+Na+K"	61.952376
"775872"	508.395738	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+Na+K"	61.952376
"1674022"	190.116038	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Na+K"	61.952376
"260549"	700.575168	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+ACN+Na"	64.015768
"1234348"	382.295468	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+ACN+Na"	64.015768
"1722140"	382.318993	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+NH4+HCOOH"	64.039293
"1190773"	129.082451333333	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+3Na"	68.967654
"1659573"	387.274388	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Na+HCOOH"	68.994688
"165343"	713.47844	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+2K-H"	76.91904
"602721"	1031.75814	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+2K-H"	76.91904
"1086505"	395.19874	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2K-H"	76.91904
"145144"	357.242858	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"2M+2K"	77.926316
"582758"	516.382708	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"3M+2K"	77.926316
"1070309"	198.103008	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2K"	77.926316
"1101696"	397.213292	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2K+H"	78.933592
"1339907"	397.300907	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+DMSO+H"	79.021207
"1008439"	401.340076	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2ACN+H"	83.060376
"1528748"	402.333708	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+IsoProp+Na+H"	84.054008
"991186"	201.173676	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+2ACN+2H"	84.067652
"1588240"	403.248328	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+K+HCOOH"	84.968628
"1427397"	433.279838	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+H+CF3COOH"	115.000138
"1155498"	221.686951	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+3ACN+2H"	125.094202
"1706143"	450.306385	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+NH4+CF3COOH"	132.026685
"1640700"	455.26178	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+Na+CF3COOH"	136.98208
"1572341"	471.23572	"C07861"	"Tridihexethyl"	"C21H36NO"	"318.2797"	"M+K+CF3COOH"	152.95602
"805626"	445.1842	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M"	0
"979157"	426.16581	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-H2O-H"	-19.01839
"67402"	295.782190666667	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M-3H"	-3.021828
"503678"	444.176924	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M-3H"	-3.021828
"892424"	147.387457333333	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-3H"	-3.021828
"7718"	444.176924	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M-2H"	-2.014552
"445091"	666.769024	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M-2H"	-2.014552
"818881"	221.584824	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-2H"	-2.014552
"79841"	889.361124	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M-H"	-1.007276
"520252"	1334.545324	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M-H"	-1.007276
"897201"	444.176924	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-H"	-1.007276
"51340"	906.387671	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M-2H+NH4"	16.019271
"492001"	1351.571871	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M-2H+NH4"	16.019271
"867976"	461.203471	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-2H+NH4"	16.019271
"41350"	911.343066	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M-2H+Na"	20.974666
"476171"	1356.527266	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M-2H+Na"	20.974666
"857251"	466.158866	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-2H+Na"	20.974666
"1621679"	466.158866	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Na-2H"	20.974666
"96384"	462.165263	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M-H+Cl"	33.962126
"537402"	684.757363	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M-H+Cl"	33.962126
"929096"	239.573163	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-H+Cl"	33.962126
"270933"	925.337802	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+Cl"	34.969402
"665180"	1370.522002	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+Cl"	34.969402
"1276491"	480.153602	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Cl"	34.969402
"19048"	927.317006	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M-2H+K"	36.948606
"467360"	1372.501206	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M-2H+K"	36.948606
"845162"	482.132806	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-2H+K"	36.948606
"1559897"	482.132806	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+K-2H"	36.948606
"953249"	490.182394	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-H+HCOOH"	44.998194
"369277"	935.366601	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+HCOOH-H"	44.998201
"349882"	949.382251	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+Hac-H"	59.013851
"1499809"	504.198051	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Hac-H"	59.013851
"965165"	512.164351	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-H+NaCOOH"	66.980151
"118447"	480.153602	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+2Cl"	69.938804
"558007"	702.745702	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+2Cl"	69.938804
"1036647"	257.561502	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2Cl"	69.938804
"1256107"	524.103085	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Br"	78.918885
"1318682"	526.159072	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Cl+HCOOH"	80.974872
"1335082"	548.141029	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Cl+NaCOOH"	102.956829
"926872"	558.169786	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M-H+CF3COOH"	112.985586
"1303579"	594.146464	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Cl+CF3COOH"	148.962264
"1382103"	410.171524	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H-2H2O"	-35.012676
"1398061"	428.1815	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H-H2O"	-17.0027
"297462"	891.375676	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+H"	1.007276
"690615"	1336.559876	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+H"	1.007276
"1366237"	446.191476	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H"	1.007276
"141066"	446.191476	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+2H"	2.014552
"580876"	668.783576	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+2H"	2.014552
"1052346"	223.599376	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2H"	2.014552
"216119"	297.796742666667	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+3H"	3.021828
"657742"	446.191476	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+3H"	3.021828
"1177083"	149.402009333333	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+3H"	3.021828
"437924"	908.402223	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+NH4"	18.033823
"795881"	1353.586423	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+NH4"	18.033823
"1692211"	463.218023	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+NH4"	18.033823
"340490"	454.7047495	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+H+NH4"	19.041099
"728538"	677.2968495	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+H+NH4"	19.041099
"1482356"	232.1126495	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H+NH4"	19.041099
"397758"	913.357618	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+Na"	22.989218
"758752"	1358.541818	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+Na"	22.989218
"1606851"	468.173418	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Na"	22.989218
"322353"	457.182447	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+H+Na"	23.996494
"715869"	679.774547	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+H+Na"	23.996494
"1470786"	234.590347	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H+Na"	23.996494
"1062938"	156.729323333333	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2H+Na"	25.00377
"1267897"	478.217686	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+CH3OH+H"	33.033486
"382097"	929.331558	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+K"	38.963158
"749653"	1374.515758	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+K"	38.963158
"1550615"	484.147358	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+K"	38.963158
"309976"	465.169417	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+H+K"	39.970434
"698026"	687.761517	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+H+K"	39.970434
"1452942"	242.577317	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H+K"	39.970434
"243732"	932.402226	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+ACN+H"	42.033826
"1220815"	487.218026	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+ACN+H"	42.033826
"1203604"	244.112651	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+ACN+2H"	43.041102
"202799"	935.33956	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+2Na-H"	44.97116
"636035"	1380.52376	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+2Na-H"	44.97116
"1145025"	490.15536	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2Na-H"	44.97116
"181750"	468.173418	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+2Na"	45.978436
"623864"	690.765518	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+2Na"	45.978436
"1122630"	245.581318	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2Na"	45.978436
"1402879"	164.056637333333	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H+2Na"	46.985712
"1432805"	492.196946	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H+HCOOH"	47.012746
"232345"	473.20644	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+3H2O+2H"	56.04448
"1521501"	506.24899	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+IsoProp+H"	61.06479
"416813"	476.160388	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+Na+K"	61.952376
"774523"	698.752488	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+Na+K"	61.952376
"1673403"	253.568288	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Na+K"	61.952376
"262845"	954.384168	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+ACN+Na"	64.015768
"1233365"	509.199968	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+ACN+Na"	64.015768
"1721157"	509.223493	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+NH4+HCOOH"	64.039293
"1189789"	171.383951333333	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+3Na"	68.967654
"1659683"	514.178888	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Na+HCOOH"	68.994688
"165453"	967.28744	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+2K-H"	76.91904
"598455"	1412.47164	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+2K-H"	76.91904
"1085155"	522.10324	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2K-H"	76.91904
"142699"	484.147358	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"2M+2K"	77.926316
"582627"	706.739458	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"3M+2K"	77.926316
"1069689"	261.555258	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2K"	77.926316
"1101442"	524.117792	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2K+H"	78.933592
"1337586"	524.205407	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+DMSO+H"	79.021207
"1007455"	528.244576	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2ACN+H"	83.060376
"1525578"	529.238208	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+IsoProp+Na+H"	84.054008
"992025"	264.625926	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+2ACN+2H"	84.067652
"1588716"	530.152828	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+K+HCOOH"	84.968628
"1427507"	560.184338	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+H+CF3COOH"	115.000138
"1155608"	285.139201	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+3ACN+2H"	125.094202
"1702973"	577.210885	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+NH4+CF3COOH"	132.026685
"1637530"	582.16628	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+Na+CF3COOH"	136.98208
"1572087"	598.14022	"C07862"	"Tridihexethyl iodide"	"C21H36NOI"	"445.1842"	"M+K+CF3COOH"	152.95602
"815578"	359.1304	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M"	0
"984737"	340.11201	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-H2O-H"	-19.01839
"64596"	238.412990666667	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M-3H"	-3.021828
"512541"	358.123124	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M-3H"	-3.021828
"892534"	118.702857333333	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-3H"	-3.021828
"5641"	358.123124	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M-2H"	-2.014552
"445201"	537.688324	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M-2H"	-2.014552
"823003"	178.557924	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-2H"	-2.014552
"83359"	717.253524	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M-H"	-1.007276
"519873"	1076.383924	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M-H"	-1.007276
"896704"	358.123124	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-H"	-1.007276
"48167"	734.280071	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M-2H+NH4"	16.019271
"493204"	1093.410471	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M-2H+NH4"	16.019271
"873193"	375.149671	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-2H+NH4"	16.019271
"40003"	739.235466	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M-2H+Na"	20.974666
"480657"	1098.365866	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M-2H+Na"	20.974666
"857363"	380.105066	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-2H+Na"	20.974666
"1624707"	380.105066	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Na-2H"	20.974666
"100141"	376.111463	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M-H+Cl"	33.962126
"537876"	555.676663	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M-H+Cl"	33.962126
"929938"	196.546263	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-H+Cl"	33.962126
"268614"	753.230202	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+Cl"	34.969402
"664195"	1112.360602	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+Cl"	34.969402
"1279878"	394.099802	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Cl"	34.969402
"21342"	755.209406	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M-2H+K"	36.948606
"463090"	1114.339806	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M-2H+K"	36.948606
"839801"	396.079006	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-2H+K"	36.948606
"1569851"	396.079006	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+K-2H"	36.948606
"951171"	404.128594	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-H+HCOOH"	44.998194
"368295"	763.259001	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+HCOOH-H"	44.998201
"349992"	777.274651	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+Hac-H"	59.013851
"1497002"	418.144251	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Hac-H"	59.013851
"963452"	426.110551	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-H+NaCOOH"	66.980151
"116371"	394.099802	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+2Cl"	69.938804
"557025"	573.665002	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+2Cl"	69.938804
"1033479"	214.534602	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2Cl"	69.938804
"1255975"	438.049285	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Br"	78.918885
"1316600"	440.105272	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Cl+HCOOH"	80.974872
"1330815"	462.087229	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Cl+NaCOOH"	102.956829
"922970"	472.115986	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M-H+CF3COOH"	112.985586
"1301499"	508.092664	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Cl+CF3COOH"	148.962264
"1381120"	324.117724	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H-2H2O"	-35.012676
"1395335"	342.1277	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H-H2O"	-17.0027
"295751"	719.268076	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+H"	1.007276
"684167"	1078.398476	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+H"	1.007276
"1363794"	360.137676	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H"	1.007276
"138505"	360.137676	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+2H"	2.014552
"578432"	539.702876	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+2H"	2.014552
"1049419"	180.572476	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2H"	2.014552
"218411"	240.427542666667	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+3H"	3.021828
"655785"	360.137676	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+3H"	3.021828
"1172819"	120.717409333333	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+3H"	3.021828
"431349"	736.294623	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+NH4"	18.033823
"790522"	1095.425023	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+NH4"	18.033823
"1687218"	377.164223	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+NH4"	18.033823
"334403"	368.6509495	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+H+NH4"	19.041099
"726456"	548.2161495	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+H+NH4"	19.041099
"1479190"	189.0857495	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H+NH4"	19.041099
"393371"	741.250018	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+Na"	22.989218
"755947"	1100.380418	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+Na"	22.989218
"1604646"	382.119618	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Na"	22.989218
"316996"	371.128647	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+H+Na"	23.996494
"712700"	550.693847	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+H+Na"	23.996494
"1466522"	191.563447	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H+Na"	23.996494
"1057581"	128.044723333333	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2H+Na"	25.00377
"1265821"	392.163886	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+CH3OH+H"	33.033486
"382208"	757.223958	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+K"	38.963158
"745391"	1116.354358	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+K"	38.963158
"1548538"	398.093558	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+K"	38.963158
"305713"	379.115617	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+H+K"	39.970434
"698136"	558.680817	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+H+K"	39.970434
"1453052"	199.550417	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H+K"	39.970434
"241655"	760.294626	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+ACN+H"	42.033826
"1215457"	401.164226	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+ACN+H"	42.033826
"1200433"	201.085751	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+ACN+2H"	43.041102
"200596"	763.23196	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+2Na-H"	44.97116
"632865"	1122.36236	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+2Na-H"	44.97116
"1146432"	404.10156	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2Na-H"	44.97116
"186236"	382.119618	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+2Na"	45.978436
"625797"	561.684818	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+2Na"	45.978436
"1129912"	202.554418	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2Na"	45.978436
"1405175"	135.372037333333	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H+2Na"	46.985712
"1432187"	406.143146	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H+HCOOH"	47.012746
"231362"	387.15264	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+3H2O+2H"	56.04448
"1518331"	420.19519	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+IsoProp+H"	61.06479
"419109"	390.106588	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+Na+K"	61.952376
"774269"	569.671788	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+Na+K"	61.952376
"1670599"	210.541388	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Na+K"	61.952376
"259675"	782.276568	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+ACN+Na"	64.015768
"1234569"	423.146168	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+ACN+Na"	64.015768
"1721267"	423.169693	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+NH4+HCOOH"	64.039293
"1188806"	142.699351333333	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+3Na"	68.967654
"1656514"	428.125088	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Na+HCOOH"	68.994688
"164469"	795.17984	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+2K-H"	76.91904
"597954"	1154.31024	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+2K-H"	76.91904
"1085021"	436.04944	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2K-H"	76.91904
"142563"	398.093558	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"2M+2K"	77.926316
"583831"	577.658758	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"3M+2K"	77.926316
"1074908"	218.528358	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2K"	77.926316
"1102649"	438.063992	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2K+H"	78.933592
"1339037"	438.151607	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+DMSO+H"	79.021207
"1009751"	442.190776	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2ACN+H"	83.060376
"1528972"	443.184408	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+IsoProp+Na+H"	84.054008
"994325"	221.599026	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+2ACN+2H"	84.067652
"1588826"	444.099028	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+K+HCOOH"	84.968628
"1428349"	474.130538	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+H+CF3COOH"	115.000138
"1161919"	242.112301	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+3ACN+2H"	125.094202
"1712199"	491.157085	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+NH4+CF3COOH"	132.026685
"1648213"	496.11248	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+Na+CF3COOH"	136.98208
"1582040"	512.08642	"C07864"	"Rabeprazole"	"C18H21N3O3S"	"359.1304"	"M+K+CF3COOH"	152.95602
"814597"	381.1123	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M"	0
"982663"	362.09391	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-H2O-H"	-19.01839
"71997"	253.067590666667	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M-3H"	-3.021828
"514840"	380.105024	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M-3H"	-3.021828
"894832"	126.030157333333	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-3H"	-3.021828
"6845"	380.105024	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M-2H"	-2.014552
"454875"	570.661174	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M-2H"	-2.014552
"826395"	189.548874	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-2H"	-2.014552
"82013"	761.217324	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M-H"	-1.007276
"525947"	1142.329624	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M-H"	-1.007276
"899374"	380.105024	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-H"	-1.007276
"60316"	778.243871	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M-2H+NH4"	16.019271
"495503"	1159.356171	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M-2H+NH4"	16.019271
"875493"	397.131571	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-2H+NH4"	16.019271
"40113"	783.199266	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M-2H+Na"	20.974666
"478579"	1164.311566	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M-2H+Na"	20.974666
"857473"	402.086966	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-2H+Na"	20.974666
"1624818"	402.086966	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Na-2H"	20.974666
"99160"	398.093363	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M-H+Cl"	33.962126
"538722"	588.649513	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M-H+Cl"	33.962126
"931507"	207.537213	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-H+Cl"	33.962126
"274076"	797.194002	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+Cl"	34.969402
"662119"	1178.306302	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+Cl"	34.969402
"1277801"	416.081702	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Cl"	34.969402
"19633"	799.173206	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M-2H+K"	36.948606
"463202"	1180.285506	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M-2H+K"	36.948606
"845378"	418.060906	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-2H+K"	36.948606
"1569596"	418.060906	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+K-2H"	36.948606
"951281"	426.110494	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-H+HCOOH"	44.998194
"368406"	807.222801	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+HCOOH-H"	44.998201
"352289"	821.238451	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+Hac-H"	59.013851
"1500393"	440.126151	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Hac-H"	59.013851
"968666"	448.092451	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-H+NaCOOH"	66.980151
"116480"	416.081702	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+2Cl"	69.938804
"559321"	606.637852	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+2Cl"	69.938804
"1034682"	225.525552	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2Cl"	69.938804
"1248793"	460.031185	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Br"	78.918885
"1316710"	462.087172	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Cl+HCOOH"	80.974872
"1329833"	484.069129	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Cl+NaCOOH"	102.956829
"918704"	494.097886	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M-H+CF3COOH"	112.985586
"1302702"	530.074564	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Cl+CF3COOH"	148.962264
"1382323"	346.099624	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H-2H2O"	-35.012676
"1398200"	364.1096	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H-H2O"	-17.0027
"298350"	763.231876	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+H"	1.007276
"690716"	1144.344176	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+H"	1.007276
"1366947"	382.119576	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H"	1.007276
"140436"	382.119576	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+2H"	2.014552
"579632"	572.675726	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+2H"	2.014552
"1052677"	191.563426	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2H"	2.014552
"219965"	255.082142666667	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+3H"	3.021828
"655895"	382.119576	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+3H"	3.021828
"1175844"	128.044709333333	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+3H"	3.021828
"436198"	780.258423	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+NH4"	18.033823
"790998"	1161.370723	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+NH4"	18.033823
"1686235"	399.146123	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+NH4"	18.033823
"334515"	390.6328495	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+H+NH4"	19.041099
"727663"	581.1889995	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+H+NH4"	19.041099
"1478572"	200.0766995	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H+NH4"	19.041099
"396887"	785.213818	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+Na"	22.989218
"757880"	1166.326118	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+Na"	22.989218
"1604883"	404.101518	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Na"	22.989218
"318200"	393.110547	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+H+Na"	23.996494
"711715"	583.666697	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+H+Na"	23.996494
"1464443"	202.554397	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H+Na"	23.996494
"1055139"	135.372023333333	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2H+Na"	25.00377
"1261557"	414.145786	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+CH3OH+H"	33.033486
"383411"	801.187758	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+K"	38.963158
"744409"	1182.300058	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+K"	38.963158
"1548648"	420.075458	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+K"	38.963158
"304731"	401.097517	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+H+K"	39.970434
"701527"	591.653667	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+H+K"	39.970434
"1458263"	210.541367	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H+K"	39.970434
"245044"	804.258426	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+ACN+H"	42.033826
"1221764"	423.146126	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+ACN+H"	42.033826
"1203825"	212.076701	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+ACN+2H"	43.041102
"201072"	807.19576	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+2Na-H"	44.97116
"641724"	1188.30806	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+2Na-H"	44.97116
"1137218"	426.08346	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2Na-H"	44.97116
"179052"	404.101518	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+2Na"	45.978436
"626998"	594.657668	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+2Na"	45.978436
"1127226"	213.545368	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2Na"	45.978436
"1406378"	142.699337333333	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H+2Na"	46.985712
"1433390"	428.125046	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H+HCOOH"	47.012746
"229286"	409.13454	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+3H2O+2H"	56.04448
"1517348"	442.17709	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+IsoProp+H"	61.06479
"417031"	412.088488	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+Na+K"	61.952376
"775109"	602.644638	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+Na+K"	61.952376
"1675445"	221.532338	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Na+K"	61.952376
"261972"	826.240368	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+ACN+Na"	64.015768
"1231400"	445.128068	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+ACN+Na"	64.015768
"1718460"	445.151593	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+NH4+HCOOH"	64.039293
"1185635"	150.026651333333	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+3Na"	68.967654
"1658808"	450.106988	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Na+HCOOH"	68.994688
"168949"	839.14364	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+2K-H"	76.91904
"597823"	1220.25594	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+2K-H"	76.91904
"1085130"	458.03134	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2K-H"	76.91904
"142916"	420.075458	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"2M+2K"	77.926316
"583941"	610.631608	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"3M+2K"	77.926316
"1077204"	229.519308	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2K"	77.926316
"1102759"	460.045892	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2K+H"	78.933592
"1342427"	460.133507	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+DMSO+H"	79.021207
"1012050"	464.172676	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2ACN+H"	83.060376
"1533457"	465.166308	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+IsoProp+Na+H"	84.054008
"995529"	232.589976	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+2ACN+2H"	84.067652
"1590029"	466.080928	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+K+HCOOH"	84.968628
"1428095"	496.112438	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+H+CF3COOH"	115.000138
"1161176"	253.103251	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+3ACN+2H"	125.094202
"1712595"	513.138985	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+NH4+CF3COOH"	132.026685
"1648323"	518.09438	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+Na+CF3COOH"	136.98208
"1582150"	534.06832	"C07865"	"Rabeprazole sodium"	"C18H20N3O3SNa"	"381.1123"	"M+K+CF3COOH"	152.95602
"814705"	324.1474	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M"	0
"979491"	305.12901	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-H2O-H"	-19.01839
"68827"	215.090990666667	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M-3H"	-3.021828
"505106"	323.140124	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M-3H"	-3.021828
"889475"	107.041857333333	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-3H"	-3.021828
"8048"	323.140124	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M-2H"	-2.014552
"450891"	485.213824	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M-2H"	-2.014552
"823225"	161.066424	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-2H"	-2.014552
"80299"	647.287524	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M-H"	-1.007276
"524963"	971.434924	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M-H"	-1.007276
"898753"	323.140124	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-H"	-1.007276
"59333"	664.314071	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M-2H+NH4"	16.019271
"496707"	988.461471	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M-2H+NH4"	16.019271
"875603"	340.166671	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-2H+NH4"	16.019271
"40223"	669.269466	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M-2H+Na"	20.974666
"481969"	993.416866	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M-2H+Na"	20.974666
"855398"	345.122066	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-2H+Na"	20.974666
"1624928"	345.122066	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Na-2H"	20.974666
"98176"	341.128463	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M-H+Cl"	33.962126
"536280"	503.202163	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M-H+Cl"	33.962126
"929430"	179.054763	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-H+Cl"	33.962126
"274186"	683.264202	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+Cl"	34.969402
"660895"	1007.411602	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+Cl"	34.969402
"1274146"	359.116802	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Cl"	34.969402
"24846"	685.243406	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M-2H+K"	36.948606
"461125"	1009.390806	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M-2H+K"	36.948606
"842208"	361.096006	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-2H+K"	36.948606
"1566791"	361.096006	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+K-2H"	36.948606
"950299"	369.145594	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-H+HCOOH"	44.998194
"369609"	693.293001	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+HCOOH-H"	44.998201
"352399"	707.308651	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+Hac-H"	59.013851
"1499774"	383.161251	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Hac-H"	59.013851
"968776"	391.127551	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-H+NaCOOH"	66.980151
"113309"	359.116802	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+2Cl"	69.938804
"556151"	521.190502	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+2Cl"	69.938804
"1031514"	197.043102	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2Cl"	69.938804
"1247811"	403.066285	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Br"	78.918885
"1315727"	405.122272	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Cl+HCOOH"	80.974872
"1328849"	427.104229	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Cl+NaCOOH"	102.956829
"915534"	437.132986	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M-H+CF3COOH"	112.985586
"1297709"	473.109664	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Cl+CF3COOH"	148.962264
"1376966"	289.134724	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H-2H2O"	-35.012676
"1397012"	307.1447	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H-H2O"	-17.0027
"295241"	649.302076	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+H"	1.007276
"691187"	973.449476	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+H"	1.007276
"1366202"	325.154676	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H"	1.007276
"135807"	325.154676	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+2H"	2.014552
"579378"	487.228376	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+2H"	2.014552
"1051827"	163.080976	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2H"	2.014552
"218996"	217.105542666667	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+3H"	3.021828
"656005"	325.154676	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+3H"	3.021828
"1173038"	109.056409333333	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+3H"	3.021828
"435216"	666.328623	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+NH4"	18.033823
"790745"	990.476023	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+NH4"	18.033823
"1687075"	342.181223	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+NH4"	18.033823
"334261"	333.6679495	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+H+NH4"	19.041099
"726681"	495.7416495	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+H+NH4"	19.041099
"1480505"	171.5942495	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H+NH4"	19.041099
"394932"	671.284018	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+Na"	22.989218
"757990"	995.431418	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+Na"	22.989218
"1604992"	347.136618	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Na"	22.989218
"320498"	336.145647	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+H+Na"	23.996494
"710731"	498.219347	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+H+Na"	23.996494
"1466742"	174.071947	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H+Na"	23.996494
"1058893"	116.383723333333	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2H+Na"	25.00377
"1264946"	357.180886	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+CH3OH+H"	33.033486
"387895"	687.257958	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+K"	38.963158
"746703"	1011.405358	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+K"	38.963158
"1546570"	363.110558	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+K"	38.963158
"307028"	344.132617	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+H+K"	39.970434
"701637"	506.206317	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+H+K"	39.970434
"1455457"	182.058917	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H+K"	39.970434
"245883"	690.328626	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+ACN+H"	42.033826
"1220778"	366.181226	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+ACN+H"	42.033826
"1200654"	183.594251	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+ACN+2H"	43.041102
"196806"	693.26596	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+2Na-H"	44.97116
"637459"	1017.41336	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+2Na-H"	44.97116
"1137328"	369.11856	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2Na-H"	44.97116
"179162"	347.136618	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+2Na"	45.978436
"624921"	509.210318	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+2Na"	45.978436
"1124056"	185.062918	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2Na"	45.978436
"1405395"	123.711037333333	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H+2Na"	46.985712
"1431069"	371.160146	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H+HCOOH"	47.012746
"230489"	352.16964	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+3H2O+2H"	56.04448
"1518551"	385.21219	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+IsoProp+H"	61.06479
"416048"	355.123588	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+Na+K"	61.952376
"774855"	517.197288	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+Na+K"	61.952376
"1671184"	193.049888	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Na+K"	61.952376
"256613"	712.310568	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+ACN+Na"	64.015768
"1230417"	388.163168	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+ACN+Na"	64.015768
"1717114"	388.186693	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+NH4+HCOOH"	64.039293
"1185016"	131.038351333333	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+3Na"	68.967654
"1657826"	393.142088	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Na+HCOOH"	68.994688
"164688"	725.21384	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+2K-H"	76.91904
"597690"	1049.36124	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+2K-H"	76.91904
"1084308"	401.06644	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2K-H"	76.91904
"144486"	363.110558	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"2M+2K"	77.926316
"582222"	525.184258	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"3M+2K"	77.926316
"1076221"	201.036858	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2K"	77.926316
"1105056"	403.080992	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2K+H"	78.933592
"1343632"	403.168607	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+DMSO+H"	79.021207
"1013253"	407.207776	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2ACN+H"	83.060376
"1532474"	408.201408	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+IsoProp+Na+H"	84.054008
"994547"	204.107526	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+2ACN+2H"	84.067652
"1594514"	409.116028	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+K+HCOOH"	84.968628
"1421275"	439.147538	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+H+CF3COOH"	115.000138
"1160314"	224.620801	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+3ACN+2H"	125.094202
"1712611"	456.174085	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+NH4+CF3COOH"	132.026685
"1648433"	461.12948	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+Na+CF3COOH"	136.98208
"1582260"	477.10342	"C07866"	"Dolasetron"	"C19H20N2O3"	"324.1474"	"M+K+CF3COOH"	152.95602
"815908"	299.1401	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M"	0
"976321"	280.12171	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-H2O-H"	-19.01839
"68937"	198.419457333333	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M-3H"	-3.021828
"505216"	298.132824	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M-3H"	-3.021828
"890679"	98.7060906666667	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-3H"	-3.021828
"10345"	298.132824	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M-2H"	-2.014552
"449908"	447.702874	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M-2H"	-2.014552
"825522"	148.562774	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-2H"	-2.014552
"80774"	597.272924	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M-H"	-1.007276
"521793"	896.413024	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M-H"	-1.007276
"897037"	298.132824	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-H"	-1.007276
"58349"	614.299471	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M-2H+NH4"	16.019271
"495722"	913.439571	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M-2H+NH4"	16.019271
"876806"	315.159371	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-2H+NH4"	16.019271
"40333"	619.254866	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M-2H+Na"	20.974666
"480986"	918.394966	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M-2H+Na"	20.974666
"856601"	320.114766	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-2H+Na"	20.974666
"1625038"	320.114766	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Na-2H"	20.974666
"98287"	316.121163	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M-H+Cl"	33.962126
"534608"	465.691213	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M-H+Cl"	33.962126
"927596"	166.551113	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-H+Cl"	33.962126
"273203"	633.249602	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+Cl"	34.969402
"661251"	932.389702	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+Cl"	34.969402
"1273162"	334.109502	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Cl"	34.969402
"22770"	635.228806	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M-2H+K"	36.948606
"459049"	934.368906	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M-2H+K"	36.948606
"842318"	336.088706	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-2H+K"	36.948606
"1567994"	336.088706	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+K-2H"	36.948606
"950409"	344.138294	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-H+HCOOH"	44.998194
"366439"	643.278401	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+HCOOH-H"	44.998201
"357611"	657.294051	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+Hac-H"	59.013851
"1498426"	358.153951	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Hac-H"	59.013851
"959042"	366.120251	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-H+NaCOOH"	66.980151
"113054"	334.109502	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+2Cl"	69.938804
"551521"	483.679552	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+2Cl"	69.938804
"1030528"	184.539452	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2Cl"	69.938804
"1247921"	378.058985	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Br"	78.918885
"1315835"	380.114972	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Cl+HCOOH"	80.974872
"1325677"	402.096929	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Cl+NaCOOH"	102.956829
"917830"	412.125686	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M-H+CF3COOH"	112.985586
"1297819"	448.102364	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Cl+CF3COOH"	148.962264
"1379261"	264.127424	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H-2H2O"	-35.012676
"1392384"	282.1374	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H-H2O"	-17.0027
"297174"	599.287476	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+H"	1.007276
"688502"	898.427576	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+H"	1.007276
"1360841"	300.147376	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H"	1.007276
"138104"	300.147376	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+2H"	2.014552
"579853"	449.717426	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+2H"	2.014552
"1050843"	150.577326	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2H"	2.014552
"218377"	200.434009333333	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+3H"	3.021828
"656115"	300.147376	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+3H"	3.021828
"1173147"	100.720642666667	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+3H"	3.021828
"435327"	616.314023	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+NH4"	18.033823
"790126"	915.454123	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+NH4"	18.033823
"1684997"	317.173923	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+NH4"	18.033823
"334371"	308.6606495	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+H+NH4"	19.041099
"727885"	458.2306995	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+H+NH4"	19.041099
"1478793"	159.0905995	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H+NH4"	19.041099
"393220"	621.269418	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+Na"	22.989218
"757007"	920.409518	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+Na"	22.989218
"1604376"	322.129318	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Na"	22.989218
"319517"	311.138347	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+H+Na"	23.996494
"709751"	460.708397	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+H+Na"	23.996494
"1465759"	161.568297	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H+Na"	23.996494
"1056818"	108.047956666667	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2H+Na"	25.00377
"1266149"	332.173586	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+CH3OH+H"	33.033486
"385817"	637.243358	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+K"	38.963158
"743535"	936.383458	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+K"	38.963158
"1546680"	338.103258	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+K"	38.963158
"310054"	319.125317	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+H+K"	39.970434
"701747"	468.695367	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+H+K"	39.970434
"1455567"	169.555267	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H+K"	39.970434
"245264"	640.314026	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+ACN+H"	42.033826
"1220888"	341.173926	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+ACN+H"	42.033826
"1204045"	171.090601	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+ACN+2H"	43.041102
"196915"	643.25136	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+2Na-H"	44.97116
"637569"	942.39146	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+2Na-H"	44.97116
"1133061"	344.11126	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2Na-H"	44.97116
"179272"	322.129318	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+2Na"	45.978436
"625762"	471.699368	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+2Na"	45.978436
"1124166"	172.559268	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2Na"	45.978436
"1404408"	115.375270666667	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H+2Na"	46.985712
"1432153"	346.152846	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H+HCOOH"	47.012746
"230235"	327.16234	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+3H2O+2H"	56.04448
"1516110"	360.20489	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+IsoProp+H"	61.06479
"416158"	330.116288	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+Na+K"	61.952376
"776056"	479.686338	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+Na+K"	61.952376
"1670563"	180.546238	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Na+K"	61.952376
"255629"	662.295968	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+ACN+Na"	64.015768
"1233808"	363.155868	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+ACN+Na"	64.015768
"1720140"	363.179393	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+NH4+HCOOH"	64.039293
"1184765"	122.702584666667	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+3Na"	68.967654
"1659031"	368.134788	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Na+HCOOH"	68.994688
"164799"	675.19924	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+2K-H"	76.91904
"598528"	974.33934	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+2K-H"	76.91904
"1086688"	376.05914	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2K-H"	76.91904
"144596"	338.103258	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"2M+2K"	77.926316
"581556"	487.673308	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"3M+2K"	77.926316
"1074144"	188.533208	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2K"	77.926316
"1107352"	378.073692	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2K+H"	78.933592
"1344835"	378.161307	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+DMSO+H"	79.021207
"1013363"	382.200476	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2ACN+H"	83.060376
"1533677"	383.194108	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+IsoProp+Na+H"	84.054008
"997937"	191.603876	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+2ACN+2H"	84.067652
"1594624"	384.108728	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+K+HCOOH"	84.968628
"1422478"	414.140238	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+H+CF3COOH"	115.000138
"1161517"	212.117151	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+3ACN+2H"	125.094202
"1711073"	431.166785	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+NH4+CF3COOH"	132.026685
"1647813"	436.12218	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+Na+CF3COOH"	136.98208
"1579090"	452.09612	"C07868"	"Metoclopramide"	"C14H22ClN3O2"	"299.1401"	"M+K+CF3COOH"	152.95602
"816018"	361.9992	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M"	0
"979711"	342.98081	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-H2O-H"	-19.01839
"72327"	240.325524	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M-3H"	-3.021828
"508606"	360.991924	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M-3H"	-3.021828
"890789"	119.659124	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-3H"	-3.021828
"9362"	360.991924	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M-2H"	-2.014552
"447831"	541.991524	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M-2H"	-2.014552
"823445"	179.992324	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-2H"	-2.014552
"81248"	722.991124	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M-H"	-1.007276
"521172"	1084.990324	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M-H"	-1.007276
"896781"	360.991924	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-H"	-1.007276
"59552"	740.017671	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M-2H+NH4"	16.019271
"494739"	1102.016871	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M-2H+NH4"	16.019271
"873636"	378.018471	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-2H+NH4"	16.019271
"36068"	744.973066	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M-2H+Na"	20.974666
"476721"	1106.972266	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M-2H+Na"	20.974666
"854523"	382.973866	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-2H+Na"	20.974666
"1621868"	382.973866	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Na-2H"	20.974666
"96210"	378.980263	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M-H+Cl"	33.962126
"535164"	559.979863	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M-H+Cl"	33.962126
"928921"	197.980663	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-H+Cl"	33.962126
"273313"	758.967802	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+Cl"	34.969402
"660262"	1120.967002	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+Cl"	34.969402
"1273758"	396.968602	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Cl"	34.969402
"17776"	760.947006	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M-2H+K"	36.948606
"459159"	1122.946206	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M-2H+K"	36.948606
"842428"	398.947806	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-2H+K"	36.948606
"1568103"	398.947806	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+K-2H"	36.948606
"949426"	406.997394	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-H+HCOOH"	44.998194
"367640"	768.996601	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+HCOOH-H"	44.998201
"349338"	783.012251	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+Hac-H"	59.013851
"1493431"	421.013051	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Hac-H"	59.013851
"962431"	428.979351	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-H+NaCOOH"	66.980151
"110854"	396.968602	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+2Cl"	69.938804
"550249"	577.968202	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+2Cl"	69.938804
"1026263"	215.969002	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2Cl"	69.938804
"1248028"	440.918085	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Br"	78.918885
"1306346"	442.974072	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Cl+HCOOH"	80.974872
"1324694"	464.956029	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Cl+NaCOOH"	102.956829
"911985"	474.984786	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M-H+CF3COOH"	112.985586
"1297929"	510.961464	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Cl+CF3COOH"	148.962264
"1374996"	326.986524	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H-2H2O"	-35.012676
"1389211"	344.9965	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H-H2O"	-17.0027
"288901"	725.005676	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+H"	1.007276
"683509"	1087.004876	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+H"	1.007276
"1357670"	363.006476	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H"	1.007276
"137120"	363.006476	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+2H"	2.014552
"576681"	544.006076	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+2H"	2.014552
"1046578"	182.006876	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2H"	2.014552
"213384"	242.340076	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+3H"	3.021828
"651853"	363.006476	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+3H"	3.021828
"1168884"	121.673676	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+3H"	3.021828
"432155"	742.032223	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+NH4"	18.033823
"788050"	1104.031423	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+NH4"	18.033823
"1687295"	380.033023	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+NH4"	18.033823
"334481"	371.5197495	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+H+NH4"	19.041099
"725076"	552.5193495	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+H+NH4"	19.041099
"1478295"	190.5201495	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H+NH4"	19.041099
"393330"	746.987618	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+Na"	22.989218
"755295"	1108.986818	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+Na"	22.989218
"1606309"	384.988418	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Na"	22.989218
"317440"	373.997447	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+H+Na"	23.996494
"708037"	554.997047	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+H+Na"	23.996494
"1464772"	192.997847	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H+Na"	23.996494
"1055833"	129.00099	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2H+Na"	25.00377
"1262979"	395.032686	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+CH3OH+H"	33.033486
"379365"	762.961558	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+K"	38.963158
"744737"	1124.960758	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+K"	38.963158
"1548977"	400.962358	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+K"	38.963158
"306153"	381.984417	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+H+K"	39.970434
"702948"	562.984017	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+H+K"	39.970434
"1454583"	200.984817	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H+K"	39.970434
"242092"	766.032226	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+ACN+H"	42.033826
"1215895"	404.033026	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+ACN+H"	42.033826
"1206343"	202.520151	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+ACN+2H"	43.041102
"198119"	768.96956	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+2Na-H"	44.97116
"634399"	1130.96876	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+2Na-H"	44.97116
"1132683"	406.97036	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2Na-H"	44.97116
"179382"	384.988418	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+2Na"	45.978436
"625508"	565.988018	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+2Na"	45.978436
"1123180"	203.988818	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2Na"	45.978436
"1401599"	136.328304	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H+2Na"	46.985712
"1432263"	409.011946	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H+HCOOH"	47.012746
"226333"	390.02144	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+3H2O+2H"	56.04448
"1517677"	423.06399	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+IsoProp+H"	61.06479
"414081"	392.975388	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+Na+K"	61.952376
"774344"	573.974988	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+Na+K"	61.952376
"1671402"	211.975788	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Na+K"	61.952376
"256467"	788.014168	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+ACN+Na"	64.015768
"1231363"	426.014968	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+ACN+Na"	64.015768
"1718791"	426.038493	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+NH4+HCOOH"	64.039293
"1184511"	143.655618	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+3Na"	68.967654
"1656955"	430.993888	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Na+HCOOH"	68.994688
"164910"	800.91744	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+2K-H"	76.91904
"598274"	1162.91664	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+2K-H"	76.91904
"1086798"	438.91824	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2K-H"	76.91904
"141950"	400.962358	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"2M+2K"	77.926316
"581829"	581.961958	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"3M+2K"	77.926316
"1069993"	219.962758	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2K"	77.926316
"1100154"	440.932792	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2K+H"	78.933592
"1344941"	441.020407	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+DMSO+H"	79.021207
"1010193"	445.059576	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2ACN+H"	83.060376
"1532694"	446.053208	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+IsoProp+Na+H"	84.054008
"998047"	223.033426	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+2ACN+2H"	84.067652
"1590725"	446.967828	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+K+HCOOH"	84.968628
"1421495"	476.999338	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+H+CF3COOH"	115.000138
"1160534"	243.546701	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+3ACN+2H"	125.094202
"1712154"	494.025885	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+NH4+CF3COOH"	132.026685
"1646830"	498.98128	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+Na+CF3COOH"	136.98208
"1579200"	514.95522	"C07870"	"Bismuth subsalicylate"	"C7H5BiO4"	"361.9992"	"M+K+CF3COOH"	152.95602
"816128"	424.2151	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M"	0
"986381"	405.19671	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-H2O-H"	-19.01839
"77541"	281.802790666667	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M-3H"	-3.021828
"514183"	423.207824	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M-3H"	-3.021828
"888712"	140.397757333333	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-3H"	-3.021828
"10565"	423.207824	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M-2H"	-2.014552
"450128"	635.315374	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M-2H"	-2.014552
"823555"	211.100274	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-2H"	-2.014552
"84640"	847.422924	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M-H"	-1.007276
"521647"	1271.638024	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M-H"	-1.007276
"898715"	423.207824	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-H"	-1.007276
"59661"	864.449471	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M-2H+NH4"	16.019271
"497035"	1288.664571	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M-2H+NH4"	16.019271
"871559"	440.234371	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-2H+NH4"	16.019271
"36178"	869.404866	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M-2H+Na"	20.974666
"483390"	1293.619966	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M-2H+Na"	20.974666
"857913"	445.189766	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-2H+Na"	20.974666
"1623071"	445.189766	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Na-2H"	20.974666
"99600"	441.196163	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M-H+Cl"	33.962126
"539163"	653.303713	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M-H+Cl"	33.962126
"931583"	229.088613	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-H+Cl"	33.962126
"276703"	883.399602	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+Cl"	34.969402
"662564"	1307.614702	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+Cl"	34.969402
"1274965"	459.184502	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Cl"	34.969402
"20803"	885.378806	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M-2H+K"	36.948606
"462549"	1309.593906	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M-2H+K"	36.948606
"845818"	461.163706	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-2H+K"	36.948606
"1569307"	461.163706	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+K-2H"	36.948606
"948443"	469.213294	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-H+HCOOH"	44.998194
"369937"	893.428401	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+HCOOH-H"	44.998201
"347623"	907.444051	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+Hac-H"	59.013851
"1496457"	483.228951	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Hac-H"	59.013851
"962540"	491.195251	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-H+NaCOOH"	66.980151
"111206"	459.184502	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+2Cl"	69.938804
"550521"	671.292052	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+2Cl"	69.938804
"1023090"	247.076952	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2Cl"	69.938804
"1244858"	503.133985	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Br"	78.918885
"1311680"	505.189972	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Cl+HCOOH"	80.974872
"1320670"	527.171929	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Cl+NaCOOH"	102.956829
"912339"	537.200686	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M-H+CF3COOH"	112.985586
"1294759"	573.177364	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Cl+CF3COOH"	148.962264
"1374012"	389.202424	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H-2H2O"	-35.012676
"1387134"	407.2124	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H-H2O"	-17.0027
"293382"	849.437476	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+H"	1.007276
"680339"	1273.652576	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+H"	1.007276
"1357780"	425.222376	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H"	1.007276
"132127"	425.222376	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+2H"	2.014552
"577521"	637.329926	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+2H"	2.014552
"1048510"	213.114826	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2H"	2.014552
"213494"	283.817342666667	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+3H"	3.021828
"654150"	425.222376	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+3H"	3.021828
"1171181"	142.412309333333	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+3H"	3.021828
"431172"	866.464023	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+NH4"	18.033823
"788888"	1290.679123	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+NH4"	18.033823
"1686311"	442.248923	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+NH4"	18.033823
"332402"	433.7356495	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+H+NH4"	19.041099
"725185"	645.8431995	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+H+NH4"	19.041099
"1479741"	221.6280995	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H+NH4"	19.041099
"394897"	871.419418	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+Na"	22.989218
"756136"	1295.634518	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+Na"	22.989218
"1603623"	447.204318	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Na"	22.989218
"317549"	436.213347	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+H+Na"	23.996494
"708025"	648.320897	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+H+Na"	23.996494
"1462817"	224.105797	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H+Na"	23.996494
"1053269"	149.739623333333	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2H+Na"	25.00377
"1259809"	457.248586	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+CH3OH+H"	33.033486
"379475"	887.393358	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+K"	38.963158
"747034"	1311.608458	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+K"	38.963158
"1547993"	463.178258	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+K"	38.963158
"306263"	444.200317	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+H+K"	39.970434
"703058"	656.307867	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+H+K"	39.970434
"1454693"	232.092767	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H+K"	39.970434
"243295"	890.464026	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+ACN+H"	42.033826
"1217098"	466.248926	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+ACN+H"	42.033826
"1207181"	233.628101	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+ACN+2H"	43.041102
"198228"	893.40136	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+2Na-H"	44.97116
"634509"	1317.61646	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+2Na-H"	44.97116
"1136926"	469.18626	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2Na-H"	44.97116
"180221"	447.204318	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+2Na"	45.978436
"625618"	659.311868	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+2Na"	45.978436
"1122196"	235.096768	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2Na"	45.978436
"1406814"	157.066937333333	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H+2Na"	46.985712
"1433101"	471.227846	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H+HCOOH"	47.012746
"222065"	452.23734	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+3H2O+2H"	56.04448
"1511222"	485.27989	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+IsoProp+H"	61.06479
"414186"	455.191288	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+Na+K"	61.952376
"772630"	667.298838	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+Na+K"	61.952376
"1671513"	243.083738	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Na+K"	61.952376
"256578"	912.445968	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+ACN+Na"	64.015768
"1230380"	488.230868	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+ACN+Na"	64.015768
"1717808"	488.254393	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+NH4+HCOOH"	64.039293
"1182069"	164.394251333333	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+3Na"	68.967654
"1654877"	493.209788	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Na+HCOOH"	68.994688
"163925"	925.34924	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+2K-H"	76.91904
"598142"	1349.56434	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+2K-H"	76.91904
"1088001"	501.13414	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2K-H"	76.91904
"142871"	463.178258	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"2M+2K"	77.926316
"582103"	675.285808	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"3M+2K"	77.926316
"1069004"	251.070708	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2K"	77.926316
"1100756"	503.148692	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2K+H"	78.933592
"1346144"	503.236307	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+DMSO+H"	79.021207
"1012491"	507.275476	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2ACN+H"	83.060376
"1531711"	508.269108	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+IsoProp+Na+H"	84.054008
"999251"	254.141376	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+2ACN+2H"	84.067652
"1590471"	509.183728	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+K+HCOOH"	84.968628
"1422698"	539.215238	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+H+CF3COOH"	115.000138
"1156269"	274.654651	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+3ACN+2H"	125.094202
"1711293"	556.241785	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+NH4+CF3COOH"	132.026685
"1644752"	561.19718	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+Na+CF3COOH"	136.98208
"1582590"	577.17112	"C07871"	"Difenoxin"	"C28H28N2O2"	"424.2151"	"M+K+CF3COOH"	152.95602
"812958"	452.2464	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M"	0
"983211"	433.22801	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-H2O-H"	-19.01839
"78550"	300.490324	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M-3H"	-3.021828
"511013"	451.239124	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M-3H"	-3.021828
"893196"	149.741524	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-3H"	-3.021828
"10675"	451.239124	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M-2H"	-2.014552
"452424"	677.362324	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M-2H"	-2.014552
"826945"	225.115924	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-2H"	-2.014552
"85843"	903.485524	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M-H"	-1.007276
"520301"	1355.731924	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M-H"	-1.007276
"897732"	451.239124	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-H"	-1.007276
"62287"	920.512071	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M-2H+NH4"	16.019271
"494958"	1372.758471	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M-2H+NH4"	16.019271
"871668"	468.265671	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-2H+NH4"	16.019271
"42849"	925.467466	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M-2H+Na"	20.974666
"483501"	1377.713866	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M-2H+Na"	20.974666
"858023"	473.221066	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-2H+Na"	20.974666
"1623182"	473.221066	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Na-2H"	20.974666
"101898"	469.227463	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M-H+Cl"	33.962126
"539273"	695.350663	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M-H+Cl"	33.962126
"931693"	243.104263	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-H+Cl"	33.962126
"273533"	939.462202	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+Cl"	34.969402
"663767"	1391.708602	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+Cl"	34.969402
"1282729"	487.215802	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Cl"	34.969402
"20913"	941.441406	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M-2H+K"	36.948606
"463753"	1393.687806	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M-2H+K"	36.948606
"845564"	489.195006	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-2H+K"	36.948606
"1567230"	489.195006	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+K-2H"	36.948606
"948553"	497.244594	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-H+HCOOH"	44.998194
"370047"	949.491001	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+HCOOH-H"	44.998201
"346640"	963.506651	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+Hac-H"	59.013851
"1497661"	511.260251	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Hac-H"	59.013851
"963014"	519.226551	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-H+NaCOOH"	66.980151
"111923"	487.215802	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+2Cl"	69.938804
"552212"	713.339002	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+2Cl"	69.938804
"1022108"	261.092602	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2Cl"	69.938804
"1248248"	531.165285	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Br"	78.918885
"1310697"	533.221272	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Cl+HCOOH"	80.974872
"1323091"	555.203229	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Cl+NaCOOH"	102.956829
"912328"	565.231986	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M-H+CF3COOH"	112.985586
"1291953"	601.208664	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Cl+CF3COOH"	148.962264
"1370842"	417.233724	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H-2H2O"	-35.012676
"1383964"	435.2437	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H-H2O"	-17.0027
"290212"	905.500076	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+H"	1.007276
"681540"	1357.746476	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+H"	1.007276
"1352420"	453.253676	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H"	1.007276
"127498"	453.253676	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+2H"	2.014552
"575808"	679.376876	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+2H"	2.014552
"1045704"	227.130476	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2H"	2.014552
"212510"	302.504876	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+3H"	3.021828
"652073"	453.253676	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+3H"	3.021828
"1166917"	151.756076	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+3H"	3.021828
"430187"	922.526623	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+NH4"	18.033823
"787537"	1374.773023	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+NH4"	18.033823
"1684233"	470.280223	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+NH4"	18.033823
"331780"	461.7669495	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+H+NH4"	19.041099
"724566"	687.8901495	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+H+NH4"	19.041099
"1478029"	235.6437495	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H+NH4"	19.041099
"392933"	927.482018	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+Na"	22.989218
"754379"	1379.728418	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+Na"	22.989218
"1602784"	475.235618	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Na"	22.989218
"316566"	464.244647	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+H+Na"	23.996494
"708132"	690.367847	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+H+Na"	23.996494
"1461952"	238.121447	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H+Na"	23.996494
"1053136"	159.08339	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2H+Na"	25.00377
"1258826"	485.279886	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+CH3OH+H"	33.033486
"379586"	943.455958	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+K"	38.963158
"740584"	1395.702358	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+K"	38.963158
"1544823"	491.209558	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+K"	38.963158
"305280"	472.231617	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+H+K"	39.970434
"697701"	698.354817	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+H+K"	39.970434
"1453710"	246.108417	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H+K"	39.970434
"245591"	946.526626	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+ACN+H"	42.033826
"1220487"	494.280226	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+ACN+H"	42.033826
"1206197"	247.643751	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+ACN+2H"	43.041102
"193235"	949.46396	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+2Na-H"	44.97116
"633160"	1401.71036	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+2Na-H"	44.97116
"1139221"	497.21756	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2Na-H"	44.97116
"176320"	475.235618	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+2Na"	45.978436
"616608"	701.358818	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+2Na"	45.978436
"1120484"	249.112418	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2Na"	45.978436
"1403644"	166.410704	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H+2Na"	46.985712
"1432478"	499.259146	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H+HCOOH"	47.012746
"221567"	480.26864	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+3H2O+2H"	56.04448
"1511331"	513.31119	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+IsoProp+H"	61.06479
"413203"	483.222588	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+Na+K"	61.952376
"772011"	709.345788	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+Na+K"	61.952376
"1668709"	257.099388	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Na+K"	61.952376
"255231"	968.508568	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+ACN+Na"	64.015768
"1229761"	516.262168	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+ACN+Na"	64.015768
"1716461"	516.285693	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+NH4+HCOOH"	64.039293
"1182908"	173.738018	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+3Na"	68.967654
"1656080"	521.241088	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Na+HCOOH"	68.994688
"164035"	981.41184	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+2K-H"	76.91904
"599224"	1433.65824	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+2K-H"	76.91904
"1086654"	529.16544	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2K-H"	76.91904
"142981"	491.209558	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"2M+2K"	77.926316
"581429"	717.332758	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"3M+2K"	77.926316
"1068585"	265.086358	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2K"	77.926316
"1100502"	531.179992	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2K+H"	78.933592
"1341881"	531.267607	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+DMSO+H"	79.021207
"1013698"	535.306776	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2ACN+H"	83.060376
"1530729"	536.300408	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+IsoProp+Na+H"	84.054008
"997175"	268.157026	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+2ACN+2H"	84.067652
"1588395"	537.215028	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+K+HCOOH"	84.968628
"1423901"	567.246538	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+H+CF3COOH"	115.000138
"1156379"	288.670301	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+3ACN+2H"	125.094202
"1709212"	584.273085	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+NH4+CF3COOH"	132.026685
"1644862"	589.22848	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+Na+CF3COOH"	136.98208
"1582700"	605.20242	"C07872"	"Diphenoxylate"	"C30H32N2O2"	"452.2464"	"M+K+CF3COOH"	152.95602
"813068"	422.2338	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M"	0
"980041"	403.21541	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-H2O-H"	-19.01839
"74846"	280.481924	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M-3H"	-3.021828
"510029"	421.226524	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M-3H"	-3.021828
"892211"	139.737324	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-3H"	-3.021828
"9692"	421.226524	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M-2H"	-2.014552
"452534"	632.343424	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M-2H"	-2.014552
"823775"	210.109624	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-2H"	-2.014552
"85953"	843.460324	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M-H"	-1.007276
"520411"	1265.694124	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M-H"	-1.007276
"897842"	421.226524	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-H"	-1.007276
"61343"	860.486871	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M-2H+NH4"	16.019271
"495068"	1282.720671	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M-2H+NH4"	16.019271
"871778"	438.253071	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-2H+NH4"	16.019271
"42959"	865.442266	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M-2H+Na"	20.974666
"480331"	1287.676066	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M-2H+Na"	20.974666
"858133"	443.208466	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-2H+Na"	20.974666
"1623292"	443.208466	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Na-2H"	20.974666
"98728"	439.214863	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M-H+Cl"	33.962126
"539380"	650.331763	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M-H+Cl"	33.962126
"931803"	228.097963	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-H+Cl"	33.962126
"271454"	879.437002	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+Cl"	34.969402
"662784"	1301.670802	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+Cl"	34.969402
"1274213"	457.203202	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Cl"	34.969402
"22116"	881.416206	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M-2H+K"	36.948606
"460582"	1303.650006	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M-2H+K"	36.948606
"840571"	459.182406	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-2H+K"	36.948606
"1561871"	459.182406	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+K-2H"	36.948606
"947567"	467.231994	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-H+HCOOH"	44.998194
"366877"	889.465801	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+HCOOH-H"	44.998201
"348209"	903.481451	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+Hac-H"	59.013851
"1495950"	481.247651	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Hac-H"	59.013851
"958827"	489.213951	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-H+NaCOOH"	66.980151
"112397"	457.203202	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+2Cl"	69.938804
"553418"	668.320102	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+2Cl"	69.938804
"1024405"	246.086302	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2Cl"	69.938804
"1246171"	501.152685	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Br"	78.918885
"1311900"	503.208672	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Cl+HCOOH"	80.974872
"1329398"	525.190629	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Cl+NaCOOH"	102.956829
"911747"	535.219386	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M-H+CF3COOH"	112.985586
"1289874"	571.196064	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Cl+CF3COOH"	148.962264
"1373139"	387.221124	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H-2H2O"	-35.012676
"1385167"	405.2311	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H-H2O"	-17.0027
"288135"	845.474876	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+H"	1.007276
"680555"	1267.708676	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+H"	1.007276
"1355811"	423.241076	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H"	1.007276
"127244"	423.241076	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+2H"	2.014552
"567898"	634.357976	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+2H"	2.014552
"1045814"	212.124176	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2H"	2.014552
"213713"	282.496476	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+3H"	3.021828
"651089"	423.241076	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+3H"	3.021828
"1166297"	141.751876	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+3H"	3.021828
"430297"	862.501423	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+NH4"	18.033823
"789104"	1284.735223	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+NH4"	18.033823
"1685798"	440.267623	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+NH4"	18.033823
"331526"	431.7543495	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+H+NH4"	19.041099
"726133"	642.8712495	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+H+NH4"	19.041099
"1477770"	220.6374495	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H+NH4"	19.041099
"392854"	867.456818	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+Na"	22.989218
"756357"	1289.690618	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+Na"	22.989218
"1602796"	445.223018	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Na"	22.989218
"315703"	434.232047	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+H+Na"	23.996494
"709094"	645.348947	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+H+Na"	23.996494
"1462549"	223.115147	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H+Na"	23.996494
"1052999"	149.07919	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2H+Na"	25.00377
"1261123"	455.267286	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+CH3OH+H"	33.033486
"380789"	883.430758	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+K"	38.963158
"740694"	1305.664558	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+K"	38.963158
"1543840"	461.196958	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+K"	38.963158
"305390"	442.219017	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+H+K"	39.970434
"697811"	653.335917	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+H+K"	39.970434
"1451633"	231.102117	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H+K"	39.970434
"243515"	886.501426	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+ACN+H"	42.033826
"1222423"	464.267626	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+ACN+H"	42.033826
"1204485"	232.637451	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+ACN+2H"	43.041102
"195168"	889.43876	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+2Na-H"	44.97116
"634728"	1311.67256	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+2Na-H"	44.97116
"1139331"	467.20496	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2Na-H"	44.97116
"177523"	445.223018	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+2Na"	45.978436
"617082"	656.339918	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+2Na"	45.978436
"1120230"	234.106118	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2Na"	45.978436
"1403754"	156.406504	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H+2Na"	46.985712
"1433316"	469.246546	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H+HCOOH"	47.012746
"221798"	450.25604	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+3H2O+2H"	56.04448
"1509984"	483.29859	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+IsoProp+H"	61.06479
"413675"	453.209988	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+Na+K"	61.952376
"772849"	664.326888	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+Na+K"	61.952376
"1669545"	242.093088	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Na+K"	61.952376
"253154"	908.483368	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+ACN+Na"	64.015768
"1227683"	486.249568	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+ACN+Na"	64.015768
"1716571"	486.273093	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+NH4+HCOOH"	64.039293
"1180832"	163.733818	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+3Na"	68.967654
"1658014"	491.228488	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Na+HCOOH"	68.994688
"163052"	921.38664	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+2K-H"	76.91904
"598605"	1343.62044	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+2K-H"	76.91904
"1085062"	499.15284	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2K-H"	76.91904
"141518"	461.196958	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"2M+2K"	77.926316
"581799"	672.313858	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"3M+2K"	77.926316
"1068778"	250.080058	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2K"	77.926316
"1100058"	501.167392	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2K+H"	78.933592
"1339802"	501.255007	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+DMSO+H"	79.021207
"1013808"	505.294176	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2ACN+H"	83.060376
"1530839"	506.287808	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+IsoProp+Na+H"	84.054008
"996192"	253.150726	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+2ACN+2H"	84.067652
"1588505"	507.202428	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+K+HCOOH"	84.968628
"1424011"	537.233938	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+H+CF3COOH"	115.000138
"1153209"	273.664001	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+3ACN+2H"	125.094202
"1711879"	554.260485	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+NH4+CF3COOH"	132.026685
"1648983"	559.21588	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+Na+CF3COOH"	136.98208
"1582810"	575.18982	"C07874"	"14-Bis(2-ethylhexyl) sulfosuccinate;Docusate hydrogen"	"C20H38O7S"	"422.2338"	"M+K+CF3COOH"	152.95602
"813179"	193.1103	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M"	0
"981244"	174.09191	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-H2O-H"	-19.01839
"77142"	127.732924	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M-3H"	-3.021828
"513421"	192.103024	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M-3H"	-3.021828
"890864"	63.362824	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-3H"	-3.021828
"8709"	192.103024	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M-2H"	-2.014552
"449365"	288.658174	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M-2H"	-2.014552
"822792"	95.547874	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-2H"	-2.014552
"82783"	385.213324	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M-H"	-1.007276
"519547"	578.323624	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M-H"	-1.007276
"896010"	192.103024	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-H"	-1.007276
"61087"	402.239871	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M-2H+NH4"	16.019271
"494085"	595.350171	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M-2H+NH4"	16.019271
"871888"	209.129571	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-2H+NH4"	16.019271
"39790"	407.195266	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M-2H+Na"	20.974666
"483722"	600.305566	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M-2H+Na"	20.974666
"862618"	214.084966	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-2H+Na"	20.974666
"1619393"	214.084966	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Na-2H"	20.974666
"98838"	210.091363	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M-H+Cl"	33.962126
"536576"	306.646513	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M-H+Cl"	33.962126
"933007"	113.536213	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-H+Cl"	33.962126
"270471"	421.190002	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+Cl"	34.969402
"663988"	614.300302	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+Cl"	34.969402
"1276391"	228.079702	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Cl"	34.969402
"18946"	423.169206	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M-2H+K"	36.948606
"462881"	616.279506	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M-2H+K"	36.948606
"842869"	230.058906	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-2H+K"	36.948606
"1565262"	230.058906	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+K-2H"	36.948606
"953145"	238.108494	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-H+HCOOH"	44.998194
"366987"	431.218801	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+HCOOH-H"	44.998201
"349412"	445.234451	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+Hac-H"	59.013851
"1496789"	252.124151	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Hac-H"	59.013851
"959953"	260.090451	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-H+NaCOOH"	66.980151
"115063"	228.079702	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+2Cl"	69.938804
"552435"	324.634852	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+2Cl"	69.938804
"1026702"	131.524552	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2Cl"	69.938804
"1250655"	272.029185	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Br"	78.918885
"1313104"	274.085172	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Cl+HCOOH"	80.974872
"1331694"	296.067129	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Cl+NaCOOH"	102.956829
"920565"	306.095886	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M-H+CF3COOH"	112.985586
"1293995"	342.072564	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Cl+CF3COOH"	148.962264
"1374342"	158.097624	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H-2H2O"	-35.012676
"1385277"	176.1076	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H-H2O"	-17.0027
"291525"	387.227876	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+H"	1.007276
"681759"	580.338176	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+H"	1.007276
"1357015"	194.117576	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H"	1.007276
"129906"	194.117576	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+2H"	2.014552
"568736"	290.672726	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+2H"	2.014552
"1047017"	97.562426	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2H"	2.014552
"213461"	129.747476	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+3H"	3.021828
"650106"	194.117576	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+3H"	3.021828
"1167134"	65.377376	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+3H"	3.021828
"430407"	404.254423	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+NH4"	18.033823
"791036"	597.364723	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+NH4"	18.033823
"1686273"	211.144123	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+NH4"	18.033823
"333095"	202.6308495	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+H+NH4"	19.041099
"726973"	299.1859995	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+H+NH4"	19.041099
"1478363"	106.0756995	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H+NH4"	19.041099
"393156"	409.209818	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+Na"	22.989218
"756467"	602.320118	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+Na"	22.989218
"1604563"	216.099518	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Na"	22.989218
"315083"	205.108547	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+H+Na"	23.996494
"709565"	301.663697	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+H+Na"	23.996494
"1464122"	108.553397	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H+Na"	23.996494
"1053839"	72.70469	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2H+Na"	25.00377
"1260139"	226.143786	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+CH3OH+H"	33.033486
"383086"	425.183758	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+K"	38.963158
"740805"	618.294058	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+K"	38.963158
"1542858"	232.073458	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+K"	38.963158
"303314"	213.095517	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+H+K"	39.970434
"697922"	309.650667	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+H+K"	39.970434
"1452837"	116.540367	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H+K"	39.970434
"246907"	428.254426	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+ACN+H"	42.033826
"1221804"	235.144126	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+ACN+H"	42.033826
"1203502"	118.075701	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+ACN+2H"	43.041102
"197466"	431.19176	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+2Na-H"	44.97116
"633016"	624.30206	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+2Na-H"	44.97116
"1141627"	238.08146	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2Na-H"	44.97116
"177629"	216.099518	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+2Na"	45.978436
"616464"	312.654668	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+2Na"	45.978436
"1120340"	119.544368	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2Na"	45.978436
"1403864"	80.032004	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H+2Na"	46.985712
"1432699"	240.123046	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H+HCOOH"	47.012746
"221180"	221.13254	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+3H2O+2H"	56.04448
"1509243"	254.17509	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+IsoProp+H"	61.06479
"413422"	224.086488	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+Na+K"	61.952376
"771871"	320.641638	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+Na+K"	61.952376
"1670749"	127.531338	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Na+K"	61.952376
"253262"	450.236368	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+ACN+Na"	64.015768
"1228522"	257.126068	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+ACN+Na"	64.015768
"1715224"	257.149593	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+NH4+HCOOH"	64.039293
"1182034"	87.359318	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+3Na"	68.967654
"1652291"	262.104988	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Na+HCOOH"	68.994688
"162070"	463.13964	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+2K-H"	76.91904
"598715"	656.24994	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+2K-H"	76.91904
"1085780"	270.02934	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2K-H"	76.91904
"141493"	232.073458	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"2M+2K"	77.926316
"581824"	328.628608	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"3M+2K"	77.926316
"1068968"	135.518308	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2K"	77.926316
"1100600"	272.043892	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2K+H"	78.933592
"1338818"	272.131507	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+DMSO+H"	79.021207
"1012825"	276.170676	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2ACN+H"	83.060376
"1530949"	277.164308	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+IsoProp+Na+H"	84.054008
"994115"	138.588976	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+2ACN+2H"	84.067652
"1588979"	278.078928	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+K+HCOOH"	84.968628
"1421935"	308.110438	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+H+CF3COOH"	115.000138
"1150403"	159.102251	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+3ACN+2H"	125.094202
"1709432"	325.136985	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+NH4+CF3COOH"	132.026685
"1645082"	330.09238	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+Na+CF3COOH"	136.98208
"1579640"	346.06632	"C07875"	"Butamben"	"C11H15NO2"	"193.1103"	"M+K+CF3COOH"	152.95602
"816205"	57.9905	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M"	0
"989374"	38.97211	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-H2O-H"	-19.01839
"77252"	37.6530573333333	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M-3H"	-3.021828
"513531"	56.983224	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M-3H"	-3.021828
"890245"	18.3228906666667	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-3H"	-3.021828
"7727"	56.983224	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M-2H"	-2.014552
"449475"	85.978474	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M-2H"	-2.014552
"829464"	27.987974	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-2H"	-2.014552
"85081"	114.973724	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M-H"	-1.007276
"519778"	172.964224	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M-H"	-1.007276
"896727"	56.983224	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-H"	-1.007276
"59380"	132.000271	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M-2H+NH4"	16.019271
"497475"	189.990771	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M-2H+NH4"	16.019271
"871998"	74.009771	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-2H+NH4"	16.019271
"42816"	136.955666	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M-2H+Na"	20.974666
"483468"	194.946166	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M-2H+Na"	20.974666
"862730"	78.965166	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-2H+Na"	20.974666
"1622419"	78.965166	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Na-2H"	20.974666
"98948"	74.971563	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M-H+Cl"	33.962126
"536322"	103.966813	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M-H+Cl"	33.962126
"933117"	45.976313	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-H+Cl"	33.962126
"273862"	150.950402	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+Cl"	34.969402
"661911"	208.940902	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+Cl"	34.969402
"1278688"	92.959902	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Cl"	34.969402
"22337"	152.929606	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M-2H+K"	36.948606
"467364"	210.920106	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M-2H+K"	36.948606
"841887"	94.939106	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-2H+K"	36.948606
"1565374"	94.939106	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+K-2H"	36.948606
"953257"	102.988694	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-H+HCOOH"	44.998194
"366004"	160.979201	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+HCOOH-H"	44.998201
"348794"	174.994851	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+Hac-H"	59.013851
"1494712"	117.004351	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Hac-H"	59.013851
"960794"	124.970651	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-H+NaCOOH"	66.980151
"110432"	92.959902	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+2Cl"	69.938804
"552179"	121.955152	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+2Cl"	69.938804
"1026810"	63.964652	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2Cl"	69.938804
"1245297"	136.909385	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Br"	78.918885
"1312119"	138.965372	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Cl+HCOOH"	80.974872
"1328522"	160.947329	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Cl+NaCOOH"	102.956829
"923954"	170.976086	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M-H+CF3COOH"	112.985586
"1296291"	206.952764	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Cl+CF3COOH"	148.962264
"1373359"	22.977824	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H-2H2O"	-35.012676
"1387572"	40.9878	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H-H2O"	-17.0027
"285075"	116.988276	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+H"	1.007276
"678587"	174.978776	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+H"	1.007276
"1354935"	58.997776	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H"	1.007276
"128921"	58.997776	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+2H"	2.014552
"568482"	87.993026	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+2H"	2.014552
"1047127"	30.002526	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2H"	2.014552
"214667"	39.6676093333333	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+3H"	3.021828
"653497"	58.997776	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+3H"	3.021828
"1166515"	20.3374426666667	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+3H"	3.021828
"431611"	134.014823	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+NH4"	18.033823
"787865"	192.005323	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+NH4"	18.033823
"1685290"	76.024323	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+NH4"	18.033823
"332841"	67.5110495	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+H+NH4"	19.041099
"727449"	96.5062995	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+H+NH4"	19.041099
"1477745"	38.5157995	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H+NH4"	19.041099
"393755"	138.970218	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+Na"	22.989218
"757670"	196.960718	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+Na"	22.989218
"1605037"	80.979718	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Na"	22.989218
"315802"	69.988747	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+H+Na"	23.996494
"708827"	98.983997	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+H+Na"	23.996494
"1465325"	40.993497	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H+Na"	23.996494
"1053832"	27.6647566666667	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2H+Na"	25.00377
"1263529"	91.023986	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+CH3OH+H"	33.033486
"378217"	154.944158	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+K"	38.963158
"743104"	212.934658	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+K"	38.963158
"1549531"	96.953658	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+K"	38.963158
"305612"	77.975717	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+H+K"	39.970434
"698033"	106.970967	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+H+K"	39.970434
"1452947"	48.980467	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H+K"	39.970434
"244832"	158.014826	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+ACN+H"	42.033826
"1218635"	100.024326	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+ACN+H"	42.033826
"1205800"	50.515801	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+ACN+2H"	43.041102
"198669"	160.95216	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+2Na-H"	44.97116
"636043"	218.94266	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+2Na-H"	44.97116
"1139552"	102.96166	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2Na-H"	44.97116
"175555"	80.979718	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+2Na"	45.978436
"617304"	109.974968	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+2Na"	45.978436
"1119353"	51.984468	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2Na"	45.978436
"1403972"	34.9920706666667	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H+2Na"	46.985712
"1438276"	105.003246	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H+HCOOH"	47.012746
"222509"	86.01274	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+3H2O+2H"	56.04448
"1509474"	119.05529	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+IsoProp+H"	61.06479
"409525"	88.966688	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+Na+K"	61.952376
"770883"	117.961938	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+Na+K"	61.952376
"1668678"	59.971438	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Na+K"	61.952376
"255195"	179.996768	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+ACN+Na"	64.015768
"1227906"	122.006268	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+ACN+Na"	64.015768
"1714241"	122.029793	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+NH4+HCOOH"	64.039293
"1182145"	42.3193846666667	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+3Na"	68.967654
"1652038"	126.985188	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Na+HCOOH"	68.994688
"161086"	192.90004	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+2K-H"	76.91904
"597977"	250.89054	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+2K-H"	76.91904
"1086254"	134.90954	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2K-H"	76.91904
"142219"	96.953658	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"2M+2K"	77.926316
"582022"	125.948908	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"3M+2K"	77.926316
"1068676"	67.958408	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2K"	77.926316
"1100590"	136.924092	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2K+H"	78.933592
"1338928"	137.011707	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+DMSO+H"	79.021207
"1012935"	141.050876	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2ACN+H"	83.060376
"1531059"	142.044508	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+IsoProp+Na+H"	84.054008
"991309"	71.029076	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+2ACN+2H"	84.067652
"1588359"	142.959128	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+K+HCOOH"	84.968628
"1423138"	172.990638	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+H+CF3COOH"	115.000138
"1157803"	91.542351	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+3ACN+2H"	125.094202
"1709542"	190.017185	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+NH4+CF3COOH"	132.026685
"1645192"	194.97258	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+Na+CF3COOH"	136.98208
"1579750"	210.94652	"C07876"	"Magnesium hydroxide;Milk of magnesia"	"Mg(OH)2"	"57.9905"	"M+K+CF3COOH"	152.95602
"804648"	270.1135	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M"	0
"986932"	251.09511	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-H2O-H"	-19.01839
"69707"	179.068390666667	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M-3H"	-3.021828
"510359"	269.106224	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M-3H"	-3.021828
"894486"	89.0305573333333	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-3H"	-3.021828
"7838"	269.106224	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M-2H"	-2.014552
"447399"	404.162974	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M-2H"	-2.014552
"828480"	134.049474	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-2H"	-2.014552
"84097"	539.219724	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M-H"	-1.007276
"520738"	809.333224	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M-H"	-1.007276
"898049"	269.106224	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-H"	-1.007276
"60583"	556.246271	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M-2H+NH4"	16.019271
"500505"	826.359771	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M-2H+NH4"	16.019271
"877577"	286.132771	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-2H+NH4"	16.019271
"44386"	561.201666	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M-2H+Na"	20.974666
"484311"	831.315166	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M-2H+Na"	20.974666
"861745"	291.088166	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-2H+Na"	20.974666
"1626903"	291.088166	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Na-2H"	20.974666
"105618"	287.094563	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M-H+Cl"	33.962126
"542994"	422.151313	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M-H+Cl"	33.962126
"939788"	152.037813	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-H+Cl"	33.962126
"277254"	575.196402	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+Cl"	34.969402
"667489"	845.309902	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+Cl"	34.969402
"1283173"	305.082902	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Cl"	34.969402
"22448"	577.175606	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M-2H+K"	36.948606
"469663"	847.289106	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M-2H+K"	36.948606
"844185"	307.062106	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-2H+K"	36.948606
"1567671"	307.062106	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+K-2H"	36.948606
"952274"	315.111694	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-H+HCOOH"	44.998194
"367208"	585.225201	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+HCOOH-H"	44.998201
"351091"	599.240851	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+Hac-H"	59.013851
"1496644"	329.127351	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Hac-H"	59.013851
"963091"	337.093651	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-H+NaCOOH"	66.980151
"112365"	305.082902	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+2Cl"	69.938804
"553748"	440.139652	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+2Cl"	69.938804
"1029107"	170.026152	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2Cl"	69.938804
"1247594"	349.032385	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Br"	78.918885
"1313323"	351.088372	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Cl+HCOOH"	80.974872
"1330821"	373.070329	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Cl+NaCOOH"	102.956829
"921881"	383.099086	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M-H+CF3COOH"	112.985586
"1295307"	419.075764	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Cl+CF3COOH"	148.962264
"1374562"	235.100824	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H-2H2O"	-35.012676
"1390963"	253.1108	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H-H2O"	-17.0027
"287006"	541.234276	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+H"	1.007276
"678332"	811.347776	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+H"	1.007276
"1355045"	271.120776	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H"	1.007276
"129759"	271.120776	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+2H"	2.014552
"568955"	406.177526	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+2H"	2.014552
"1047237"	136.064026	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2H"	2.014552
"216599"	181.082942666667	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+3H"	3.021828
"656886"	271.120776	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+3H"	3.021828
"1167355"	91.0451093333333	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+3H"	3.021828
"431720"	558.260823	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+NH4"	18.033823
"791256"	828.374323	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+NH4"	18.033823
"1686130"	288.147323	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+NH4"	18.033823
"334411"	279.6340495	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+H+NH4"	19.041099
"728652"	414.6907995	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+H+NH4"	19.041099
"1477370"	144.5772995	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H+NH4"	19.041099
"393254"	563.216218	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+Na"	22.989218
"756321"	833.329718	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+Na"	22.989218
"1603809"	293.102718	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Na"	22.989218
"317005"	282.111747	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+H+Na"	23.996494
"708697"	417.168497	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+H+Na"	23.996494
"1462882"	147.054997	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H+Na"	23.996494
"1053942"	98.3724233333333	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2H+Na"	25.00377
"1262545"	303.146986	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+CH3OH+H"	33.033486
"379420"	579.190158	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+K"	38.963158
"744307"	849.303658	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+K"	38.963158
"1551828"	309.076658	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+K"	38.963158
"305723"	290.098717	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+H+K"	39.970434
"697050"	425.155467	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+H+K"	39.970434
"1454150"	155.041967	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H+K"	39.970434
"240932"	582.260826	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+ACN+H"	42.033826
"1216558"	312.147326	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+ACN+H"	42.033826
"1199348"	156.577301	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+ACN+2H"	43.041102
"195500"	585.19816	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+2Na-H"	44.97116
"633967"	855.31166	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+2Na-H"	44.97116
"1136381"	315.08466	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2Na-H"	44.97116
"175664"	293.102718	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+2Na"	45.978436
"620330"	428.159468	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+2Na"	45.978436
"1122743"	158.045968	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2Na"	45.978436
"1407362"	105.699737333333	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H+2Na"	46.985712
"1438386"	317.126246	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H+HCOOH"	47.012746
"223714"	298.13574	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+3H2O+2H"	56.04448
"1511774"	331.17829	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+IsoProp+H"	61.06479
"412552"	301.089688	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+Na+K"	61.952376
"771728"	436.146438	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+Na+K"	61.952376
"1669881"	166.032938	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Na+K"	61.952376
"258586"	604.242768	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+ACN+Na"	64.015768
"1230203"	334.129268	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+ACN+Na"	64.015768
"1715810"	334.152793	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+NH4+HCOOH"	64.039293
"1181164"	113.027051333333	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+3Na"	68.967654
"1656523"	339.108188	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Na+HCOOH"	68.994688
"164477"	617.14604	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+2K-H"	76.91904
"597842"	887.25954	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+2K-H"	76.91904
"1085271"	347.03254	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2K-H"	76.91904
"141840"	309.076658	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"2M+2K"	77.926316
"581644"	444.133408	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"3M+2K"	77.926316
"1068746"	174.019908	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2K"	77.926316
"1100698"	349.047092	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2K+H"	78.933592
"1339038"	349.134707	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+DMSO+H"	79.021207
"1015231"	353.173876	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2ACN+H"	83.060376
"1533355"	354.167508	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+IsoProp+Na+H"	84.054008
"994335"	177.090576	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+2ACN+2H"	84.067652
"1589201"	355.082128	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+K+HCOOH"	84.968628
"1424341"	385.113638	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+H+CF3COOH"	115.000138
"1149161"	197.603851	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+3ACN+2H"	125.094202
"1711113"	402.140185	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+NH4+CF3COOH"	132.026685
"1647490"	407.09558	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+Na+CF3COOH"	136.98208
"1579860"	423.06952	"C07877"	"Chloroprocaine"	"C13H19ClN2O2"	"270.1135"	"M+K+CF3COOH"	152.95602
"801842"	343.226	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M"	0
"987040"	324.20761	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-H2O-H"	-19.01839
"66536"	227.810057333333	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M-3H"	-3.021828
"513751"	342.218724	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M-3H"	-3.021828
"894596"	113.401390666667	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-3H"	-3.021828
"12322"	342.218724	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M-2H"	-2.014552
"450790"	513.831724	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M-2H"	-2.014552
"824218"	170.605724	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-2H"	-2.014552
"86395"	685.444724	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M-H"	-1.007276
"523768"	1028.670724	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M-H"	-1.007276
"898038"	342.218724	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-H"	-1.007276
"60694"	702.471271	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M-2H+NH4"	16.019271
"498792"	1045.697271	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M-2H+NH4"	16.019271
"877685"	359.245271	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-2H+NH4"	16.019271
"45226"	707.426666	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M-2H+Na"	20.974666
"486242"	1050.652666	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M-2H+Na"	20.974666
"859669"	364.200666	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-2H+Na"	20.974666
"1627013"	364.200666	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Na-2H"	20.974666
"105729"	360.207063	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M-H+Cl"	33.962126
"546384"	531.820063	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M-H+Cl"	33.962126
"942451"	188.594063	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-H+Cl"	33.962126
"278457"	721.421402	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+Cl"	34.969402
"671973"	1064.647402	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+Cl"	34.969402
"1284377"	378.195402	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Cl"	34.969402
"25839"	723.400606	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M-2H+K"	36.948606
"466493"	1066.626606	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M-2H+K"	36.948606
"842110"	380.174606	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-2H+K"	36.948606
"1563411"	380.174606	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+K-2H"	36.948606
"951291"	388.224194	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-H+HCOOH"	44.998194
"370598"	731.450201	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+HCOOH-H"	44.998201
"354481"	745.465851	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+Hac-H"	59.013851
"1497844"	402.239851	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Hac-H"	59.013851
"962471"	410.206151	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-H+NaCOOH"	66.980151
"112839"	378.195402	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+2Cl"	69.938804
"554951"	549.808402	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+2Cl"	69.938804
"1025937"	206.582402	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2Cl"	69.938804
"1247705"	422.144885	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Br"	78.918885
"1309060"	424.200872	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Cl+HCOOH"	80.974872
"1328745"	446.182829	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Cl+NaCOOH"	102.956829
"920897"	456.211586	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M-H+CF3COOH"	112.985586
"1300885"	492.188264	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Cl+CF3COOH"	148.962264
"1377952"	308.213324	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H-2H2O"	-35.012676
"1389980"	326.2233	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H-H2O"	-17.0027
"288572"	687.459276	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+H"	1.007276
"682087"	1030.685276	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+H"	1.007276
"1356247"	344.233276	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H"	1.007276
"132421"	344.233276	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+2H"	2.014552
"569067"	515.846276	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+2H"	2.014552
"1048441"	172.620276	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2H"	2.014552
"217073"	229.824609333333	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+3H"	3.021828
"656997"	344.233276	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+3H"	3.021828
"1171842"	115.415942666667	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+3H"	3.021828
"434018"	704.485823	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+NH4"	18.033823
"790639"	1047.711823	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+NH4"	18.033823
"1688062"	361.259823	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+NH4"	18.033823
"335251"	352.7465495	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+H+NH4"	19.041099
"729857"	524.3595495	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+H+NH4"	19.041099
"1478578"	181.1335495	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H+NH4"	19.041099
"394706"	709.441218	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+Na"	22.989218
"758984"	1052.667218	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+Na"	22.989218
"1608175"	366.215218	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Na"	22.989218
"315293"	355.224247	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+H+Na"	23.996494
"711723"	526.837247	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+H+Na"	23.996494
"1465545"	183.611247	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H+Na"	23.996494
"1059886"	122.743256666667	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2H+Na"	25.00377
"1265936"	376.259486	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+CH3OH+H"	33.033486
"383419"	725.415158	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+K"	38.963158
"747333"	1068.641158	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+K"	38.963158
"1550845"	382.189158	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+K"	38.963158
"308750"	363.211217	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+H+K"	39.970434
"703722"	534.824217	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+H+K"	39.970434
"1457178"	191.598217	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H+K"	39.970434
"241772"	728.485826	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+ACN+H"	42.033826
"1218855"	385.259826	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+ACN+H"	42.033826
"1199459"	193.133551	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+ACN+2H"	43.041102
"196704"	731.42316	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+2Na-H"	44.97116
"636265"	1074.64916	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+2Na-H"	44.97116
"1137219"	388.19716	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2Na-H"	44.97116
"177231"	366.215218	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+2Na"	45.978436
"619709"	537.828218	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+2Na"	45.978436
"1126134"	194.602218	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2Na"	45.978436
"1407472"	130.070570666667	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H+2Na"	46.985712
"1440683"	390.238746	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H+HCOOH"	47.012746
"228198"	371.24824	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+3H2O+2H"	56.04448
"1512979"	404.29079	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+IsoProp+H"	61.06479
"412664"	374.202188	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+Na+K"	61.952376
"771838"	545.815188	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+Na+K"	61.952376
"1669993"	202.589188	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Na+K"	61.952376
"257602"	750.467768	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+ACN+Na"	64.015768
"1231407"	407.241768	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+ACN+Na"	64.015768
"1720294"	407.265293	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+NH4+HCOOH"	64.039293
"1185646"	137.397884666667	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+3Na"	68.967654
"1658822"	412.220688	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Na+HCOOH"	68.994688
"164587"	763.37104	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+2K-H"	76.91904
"598801"	1106.59704	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+2K-H"	76.91904
"1085377"	420.14504	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2K-H"	76.91904
"149852"	382.189158	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"2M+2K"	77.926316
"582360"	553.802158	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"3M+2K"	77.926316
"1069545"	210.576158	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2K"	77.926316
"1101177"	422.159592	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2K+H"	78.933592
"1339148"	422.247207	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+DMSO+H"	79.021207
"1008049"	426.286376	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2ACN+H"	83.060376
"1530178"	427.280008	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+IsoProp+Na+H"	84.054008
"992252"	213.646826	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+2ACN+2H"	84.067652
"1590401"	428.194628	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+K+HCOOH"	84.968628
"1415332"	458.226138	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+H+CF3COOH"	115.000138
"1148176"	234.160101	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+3ACN+2H"	125.094202
"1707571"	475.252685	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+NH4+CF3COOH"	132.026685
"1646507"	480.20808	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+Na+CF3COOH"	136.98208
"1579970"	496.18202	"C07879"	"Dibucaine"	"C20H29N3O2"	"343.226"	"M+K+CF3COOH"	152.95602
"801949"	392.2927	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M"	0
"986057"	373.27431	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"67739"	260.521190666667	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"512768"	391.285424	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"894585"	129.756957333333	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"9152"	391.285424	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"443245"	587.431774	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"828701"	195.139074	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"84318"	783.578124	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"520229"	1175.870824	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"896693"	391.285424	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"59338"	800.604671	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"496713"	1192.897371	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"873420"	408.311971	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"40230"	805.560066	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"485257"	1197.852766	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"860871"	413.267366	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1623843"	413.267366	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"99278"	409.273763	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"543214"	605.420113	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"933448"	213.127413	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"270912"	819.554802	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"668801"	1211.847502	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1279016"	427.262102	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"21573"	821.534006	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"459673"	1213.826706	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"838204"	429.241306	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1560599"	429.241306	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"948483"	437.290894	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"364874"	829.583601	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"350215"	843.599251	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1496131"	451.306551	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"960392"	459.272851	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"112949"	427.262102	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"552873"	623.408452	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1022764"	231.115752	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1245993"	471.211585	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1307348"	473.267572	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1328854"	495.249529	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"925017"	505.278286	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1297715"	541.254964	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1374782"	357.280024	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1388997"	375.29	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"288682"	785.592676	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"685477"	1177.885376	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1357451"	393.299976	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"131438"	393.299976	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"569906"	589.446326	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1045272"	197.153626	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"213175"	262.535742666667	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"654921"	393.299976	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1175961"	131.771509333333	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"434128"	802.619223	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"792206"	1194.911923	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1683802"	410.326523	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"332809"	401.8132495	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"726689"	597.9595995	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1477179"	205.6668995	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"393477"	807.574618	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"755445"	1199.867318	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1602790"	415.281918	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"314504"	404.290947	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"707702"	600.437297	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1462859"	208.144597	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1053675"	139.098823333333	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1259487"	425.326186	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"379155"	823.548558	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"743431"	1215.841258	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1547674"	431.255858	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"305943"	412.277917	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"699456"	608.424267	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1456557"	216.131567	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"240788"	826.619226	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1216778"	434.326526	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1198475"	217.666901	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"194991"	829.55656	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"636374"	1221.84926	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1135507"	437.26386	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"175517"	415.281918	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"616538"	611.428268	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1126244"	219.135568	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1408675"	146.426137333333	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1442981"	439.305446	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"227211"	420.31494	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1511996"	453.35749	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"410952"	423.268888	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"776322"	619.415238	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1675567"	227.122538	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"259900"	848.601168	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1232610"	456.308468	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1722592"	456.331993	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1186853"	153.753451333333	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1663306"	461.287388	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"167979"	861.50444	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"600613"	1253.79714	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1086584"	469.21174	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"152148"	431.255858	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"582959"	627.402208	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1070753"	235.109508	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1102140"	471.226292	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1340351"	471.313907	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1009982"	475.353076	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1530289"	476.346708	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"993455"	238.180176	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1588689"	477.261328	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1415806"	507.292838	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1148286"	258.693451	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1707681"	524.319385	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1647710"	529.27478	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1580080"	545.24872	"C07880"	"Ursodiol;Ursodeoxycholic acid;Ursodeoxycholate;3alpha7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"804978"	289.2042	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M"	0
"983980"	270.18581	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-H2O-H"	-19.01839
"68943"	191.795524	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M-3H"	-3.021828
"511785"	288.196924	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M-3H"	-3.021828
"889590"	95.394124	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-3H"	-3.021828
"14730"	288.196924	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M-2H"	-2.014552
"447730"	432.799024	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M-2H"	-2.014552
"827717"	143.594824	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-2H"	-2.014552
"87709"	577.401124	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M-H"	-1.007276
"520707"	866.605324	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M-H"	-1.007276
"896681"	288.196924	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-H"	-1.007276
"60541"	594.427671	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M-2H+NH4"	16.019271
"495730"	883.631871	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M-2H+NH4"	16.019271
"872442"	305.223471	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-2H+NH4"	16.019271
"43623"	599.383066	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M-2H+Na"	20.974666
"482087"	888.587266	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M-2H+Na"	20.974666
"863169"	310.178866	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-2H+Na"	20.974666
"1629422"	310.178866	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Na-2H"	20.974666
"108865"	306.185263	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M-H+Cl"	33.962126
"543325"	450.787363	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M-H+Cl"	33.962126
"941213"	161.583163	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-H+Cl"	33.962126
"274301"	613.377802	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+Cl"	34.969402
"670003"	902.582002	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+Cl"	34.969402
"1281313"	324.173602	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Cl"	34.969402
"21682"	615.357006	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M-2H+K"	36.948606
"462335"	904.561206	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M-2H+K"	36.948606
"838314"	326.152806	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-2H+K"	36.948606
"1561438"	326.152806	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+K-2H"	36.948606
"948229"	334.202394	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-H+HCOOH"	44.998194
"366443"	623.406601	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+HCOOH-H"	44.998201
"351419"	637.422251	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+Hac-H"	59.013851
"1496606"	348.218051	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Hac-H"	59.013851
"961599"	356.184351	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-H+NaCOOH"	66.980151
"111602"	324.173602	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+2Cl"	69.938804
"555172"	468.775702	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+2Cl"	69.938804
"1027252"	179.571502	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2Cl"	69.938804
"1247926"	368.123085	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Br"	78.918885
"1309645"	370.179072	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Cl+HCOOH"	80.974872
"1331152"	392.161029	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Cl+NaCOOH"	102.956829
"921114"	402.189786	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M-H+CF3COOH"	112.985586
"1292721"	438.166464	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Cl+CF3COOH"	148.962264
"1378172"	254.191524	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H-2H2O"	-35.012676
"1393481"	272.2015	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H-H2O"	-17.0027
"288792"	579.415676	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+H"	1.007276
"679756"	868.619876	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+H"	1.007276
"1353188"	290.211476	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H"	1.007276
"126076"	290.211476	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+2H"	2.014552
"566483"	434.813576	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+2H"	2.014552
"1046474"	145.609376	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2H"	2.014552
"213280"	193.810076	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+3H"	3.021828
"652842"	290.211476	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+3H"	3.021828
"1176436"	97.408676	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+3H"	3.021828
"430958"	596.442223	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+NH4"	18.033823
"791953"	885.646423	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+NH4"	18.033823
"1683912"	307.238023	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+NH4"	18.033823
"332192"	298.7247495	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+H+NH4"	19.041099
"725706"	443.3268495	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+H+NH4"	19.041099
"1477235"	154.1226495	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H+NH4"	19.041099
"392850"	601.397618	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+Na"	22.989218
"755925"	890.601818	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+Na"	22.989218
"1604386"	312.193418	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Na"	22.989218
"314697"	301.202447	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+H+Na"	23.996494
"713037"	445.804547	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+H+Na"	23.996494
"1464672"	156.600347	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H+Na"	23.996494
"1055732"	104.73599	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2H+Na"	25.00377
"1260691"	322.237686	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+CH3OH+H"	33.033486
"381452"	617.371558	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+K"	38.963158
"744636"	906.575758	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+K"	38.963158
"1549970"	328.167358	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+K"	38.963158
"308239"	309.189417	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+H+K"	39.970434
"700659"	453.791517	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+H+K"	39.970434
"1454479"	164.587317	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H+K"	39.970434
"241991"	620.442226	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+ACN+H"	42.033826
"1216888"	331.238026	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+ACN+H"	42.033826
"1200772"	166.122651	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+ACN+2H"	43.041102
"195101"	623.37956	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+2Na-H"	44.97116
"637577"	912.58376	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+2Na-H"	44.97116
"1134889"	334.17536	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2Na-H"	44.97116
"175262"	312.193418	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+2Na"	45.978436
"616649"	456.795518	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+2Na"	45.978436
"1124898"	167.591318	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2Na"	45.978436
"1406964"	112.063304	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H+2Na"	46.985712
"1441633"	336.216946	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H+HCOOH"	47.012746
"227321"	317.22644	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+3H2O+2H"	56.04448
"1520851"	350.26899	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+IsoProp+H"	61.06479
"417258"	320.180388	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+Na+K"	61.952376
"776068"	464.782488	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+Na+K"	61.952376
"1675678"	175.578288	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Na+K"	61.952376
"258917"	642.424168	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+ACN+Na"	64.015768
"1231992"	353.219968	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+ACN+Na"	64.015768
"1722702"	353.243493	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+NH4+HCOOH"	64.039293
"1190243"	119.390618	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+3Na"	68.967654
"1663417"	358.198888	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Na+HCOOH"	68.994688
"168090"	655.32744	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+2K-H"	76.91904
"602183"	944.53164	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+2K-H"	76.91904
"1088881"	366.12324	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2K-H"	76.91904
"152259"	328.167358	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"2M+2K"	77.926316
"583070"	472.769458	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"3M+2K"	77.926316
"1071956"	183.565258	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2K"	77.926316
"1102979"	368.137792	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2K+H"	78.933592
"1340461"	368.225407	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+DMSO+H"	79.021207
"1010091"	372.264576	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2ACN+H"	83.060376
"1529305"	373.258208	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+IsoProp+Na+H"	84.054008
"993565"	186.635926	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+2ACN+2H"	84.067652
"1591351"	374.172828	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+K+HCOOH"	84.968628
"1417010"	404.204338	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+H+CF3COOH"	115.000138
"1149125"	207.149201	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+3ACN+2H"	125.094202
"1704511"	421.230885	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+NH4+CF3COOH"	132.026685
"1645633"	426.18628	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+Na+CF3COOH"	136.98208
"1583470"	442.16022	"C07881"	"Dyclonine"	"C18H27NO2"	"289.2042"	"M+K+CF3COOH"	152.95602
"801929"	135.1048	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M"	0
"977528"	116.08641	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-H2O-H"	-19.01839
"63182"	89.0625906666667	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M-3H"	-3.021828
"503041"	134.097524	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M-3H"	-3.021828
"890429"	44.0276573333333	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-3H"	-3.021828
"12655"	134.097524	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M-2H"	-2.014552
"447837"	201.649924	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M-2H"	-2.014552
"826733"	66.545124	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-2H"	-2.014552
"86725"	269.202324	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M-H"	-1.007276
"520817"	404.307124	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M-H"	-1.007276
"897277"	134.097524	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-H"	-1.007276
"59437"	286.228871	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M-2H+NH4"	16.019271
"499122"	421.333671	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M-2H+NH4"	16.019271
"870365"	151.124071	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-2H+NH4"	16.019271
"39359"	291.184266	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M-2H+Na"	20.974666
"477824"	426.289066	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M-2H+Na"	20.974666
"852345"	156.079466	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-2H+Na"	20.974666
"1626252"	156.079466	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Na-2H"	20.974666
"102779"	152.085863	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M-H+Cl"	33.962126
"545622"	219.638263	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M-H+Cl"	33.962126
"936949"	84.533463	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-H+Cl"	33.962126
"276599"	305.179002	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+Cl"	34.969402
"669021"	440.283802	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+Cl"	34.969402
"1280332"	170.074202	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Cl"	34.969402
"22888"	307.158206	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M-2H+K"	36.948606
"463542"	442.263006	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M-2H+K"	36.948606
"840250"	172.053406	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-2H+K"	36.948606
"1558269"	172.053406	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+K-2H"	36.948606
"948340"	180.102994	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-H+HCOOH"	44.998194
"364365"	315.207801	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+HCOOH-H"	44.998201
"347883"	329.223451	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+Hac-H"	59.013851
"1494164"	194.118651	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Hac-H"	59.013851
"960614"	202.084951	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-H+NaCOOH"	66.980151
"111712"	170.074202	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+2Cl"	69.938804
"554552"	237.626602	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+2Cl"	69.938804
"1025540"	102.521802	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2Cl"	69.938804
"1245848"	214.023685	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Br"	78.918885
"1312671"	216.079672	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Cl+HCOOH"	80.974872
"1329075"	238.061629	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Cl+NaCOOH"	102.956829
"916851"	248.090386	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M-H+CF3COOH"	112.985586
"1292830"	284.067064	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Cl+CF3COOH"	148.962264
"1372816"	100.092124	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H-2H2O"	-35.012676
"1387031"	118.1021	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H-H2O"	-17.0027
"288902"	271.216876	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+H"	1.007276
"682418"	406.321676	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+H"	1.007276
"1351550"	136.112076	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H"	1.007276
"128738"	136.112076	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+2H"	2.014552
"566387"	203.664476	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+2H"	2.014552
"1048407"	68.559676	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2H"	2.014552
"212297"	91.0771426666667	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+3H"	3.021828
"655139"	136.112076	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+3H"	3.021828
"1177278"	46.0422093333333	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+3H"	3.021828
"436536"	288.243423	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+NH4"	18.033823
"790970"	423.348223	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+NH4"	18.033823
"1687301"	153.138623	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+NH4"	18.033823
"334490"	144.6253495	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+H+NH4"	19.041099
"728003"	212.1777495	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+H+NH4"	19.041099
"1477244"	77.0729495	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H+NH4"	19.041099
"393697"	293.198818	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+Na"	22.989218
"756035"	428.303618	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+Na"	22.989218
"1604496"	158.094018	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Na"	22.989218
"317446"	147.103047	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+H+Na"	23.996494
"714243"	214.655447	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+H+Na"	23.996494
"1465874"	79.550647	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H+Na"	23.996494
"1061309"	53.3695233333333	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2H+Na"	25.00377
"1264081"	168.138286	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+CH3OH+H"	33.033486
"382656"	309.172758	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+K"	38.963158
"743654"	444.277558	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+K"	38.963158
"1549716"	174.067958	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+K"	38.963158
"308349"	155.090017	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+H+K"	39.970434
"700769"	222.642417	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+H+K"	39.970434
"1454589"	87.537617	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H+K"	39.970434
"242101"	312.243426	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+ACN+H"	42.033826
"1216998"	177.138626	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+ACN+H"	42.033826
"1200153"	89.072951	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+ACN+2H"	43.041102
"194482"	315.18076	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+2Na-H"	44.97116
"636594"	450.28556	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+2Na-H"	44.97116
"1134634"	180.07596	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2Na-H"	44.97116
"174278"	158.094018	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+2Na"	45.978436
"618581"	225.646418	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+2Na"	45.978436
"1126467"	90.541618	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2Na"	45.978436
"1410356"	60.6968373333333	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H+2Na"	46.985712
"1443567"	182.117546	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H+HCOOH"	47.012746
"227431"	163.12704	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+3H2O+2H"	56.04448
"1520961"	196.16959	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+IsoProp+H"	61.06479
"416273"	166.080988	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+Na+K"	61.952376
"777269"	233.633388	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+Na+K"	61.952376
"1673602"	98.528588	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Na+K"	61.952376
"256112"	334.225368	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+ACN+Na"	64.015768
"1233197"	199.120568	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+ACN+Na"	64.015768
"1720625"	199.144093	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+NH4+HCOOH"	64.039293
"1185980"	68.0241513333333	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+3Na"	68.967654
"1658060"	204.099488	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Na+HCOOH"	68.994688
"166017"	347.12864	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+2K-H"	76.91904
"601199"	482.23344	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+2K-H"	76.91904
"1088991"	212.02384	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2K-H"	76.91904
"152370"	174.067958	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"2M+2K"	77.926316
"582450"	241.620358	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"3M+2K"	77.926316
"1070973"	106.515558	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2K"	77.926316
"1101994"	214.038392	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2K+H"	78.933592
"1340571"	214.126007	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+DMSO+H"	79.021207
"1008015"	218.165176	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2ACN+H"	83.060376
"1528325"	219.158808	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+IsoProp+Na+H"	84.054008
"995863"	109.586226	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+2ACN+2H"	84.067652
"1589274"	220.073428	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+K+HCOOH"	84.968628
"1418214"	250.104938	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+H+CF3COOH"	115.000138
"1148141"	130.099501	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+3ACN+2H"	125.094202
"1704621"	267.131485	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+NH4+CF3COOH"	132.026685
"1649715"	272.08688	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+Na+CF3COOH"	136.98208
"1583580"	288.06082	"C07884"	"Dextroamphetamine"	"C9H13N"	"135.1048"	"M+K+CF3COOH"	152.95602
"804105"	291.012	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M"	0
"976296"	271.99361	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-H2O-H"	-19.01839
"64782"	193.000724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M-3H"	-3.021828
"504707"	290.004724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M-3H"	-3.021828
"890903"	95.996724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-3H"	-3.021828
"14465"	290.004724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M-2H"	-2.014552
"447947"	435.510724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M-2H"	-2.014552
"829032"	144.498724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-2H"	-2.014552
"85742"	581.016724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M-H"	-1.007276
"524208"	872.028724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M-H"	-1.007276
"902010"	290.004724	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-H"	-1.007276
"59304"	598.043271	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M-2H+NH4"	16.019271
"492672"	889.055271	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M-2H+NH4"	16.019271
"868288"	307.031271	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-2H+NH4"	16.019271
"37283"	602.998666	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M-2H+Na"	20.974666
"480124"	894.010666	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M-2H+Na"	20.974666
"859020"	311.986666	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-2H+Na"	20.974666
"1629646"	311.986666	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Na-2H"	20.974666
"105080"	307.993063	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M-H+Cl"	33.962126
"542454"	453.499063	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M-H+Cl"	33.962126
"935969"	162.487063	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-H+Cl"	33.962126
"278535"	616.993402	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+Cl"	34.969402
"670956"	908.005402	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+Cl"	34.969402
"1281537"	325.981402	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Cl"	34.969402
"24090"	618.972606	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M-2H+K"	36.948606
"461466"	909.984606	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M-2H+K"	36.948606
"838174"	327.960606	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-2H+K"	36.948606
"1562756"	327.960606	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+K-2H"	36.948606
"950640"	336.010194	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-H+HCOOH"	44.998194
"368853"	627.022201	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+HCOOH-H"	44.998201
"352008"	641.037851	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+Hac-H"	59.013851
"1496101"	350.025851	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Hac-H"	59.013851
"964372"	357.992151	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-H+NaCOOH"	66.980151
"114739"	325.981402	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+2Cl"	69.938804
"551384"	471.487402	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+2Cl"	69.938804
"1026746"	180.475402	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2Cl"	69.938804
"1244867"	369.930885	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Br"	78.918885
"1312783"	371.986872	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Cl+HCOOH"	80.974872
"1326271"	393.968829	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Cl+NaCOOH"	102.956829
"919152"	403.997586	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M-H+CF3COOH"	112.985586
"1292947"	439.974264	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Cl+CF3COOH"	148.962264
"1367620"	255.999324	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H-2H2O"	-35.012676
"1385322"	274.0093	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H-H2O"	-17.0027
"287925"	583.031276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+H"	1.007276
"681438"	874.043276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+H"	1.007276
"1361068"	292.019276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H"	1.007276
"133956"	292.019276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+2H"	2.014552
"576796"	437.525276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+2H"	2.014552
"1042318"	146.513276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2H"	2.014552
"211314"	195.015276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+3H"	3.021828
"655249"	292.019276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+3H"	3.021828
"1170095"	98.011276	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+3H"	3.021828
"438833"	600.057823	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+NH4"	18.033823
"789990"	891.069823	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+NH4"	18.033823
"1687416"	309.045823	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+NH4"	18.033823
"332777"	300.5325495	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+H+NH4"	19.041099
"728112"	446.0385495	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+H+NH4"	19.041099
"1481938"	155.0265495	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H+NH4"	19.041099
"396244"	605.013218	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+Na"	22.989218
"756144"	896.025218	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+Na"	22.989218
"1605459"	314.001218	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Na"	22.989218
"315494"	303.010247	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+H+Na"	23.996494
"713264"	448.516247	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+H+Na"	23.996494
"1468179"	157.504247	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H+Na"	23.996494
"1055957"	105.33859	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2H+Na"	25.00377
"1264196"	324.045486	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+CH3OH+H"	33.033486
"380583"	620.987158	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+K"	38.963158
"748141"	911.999158	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+K"	38.963158
"1550923"	329.975158	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+K"	38.963158
"313898"	310.997217	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+H+K"	39.970434
"706313"	456.503217	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+H+K"	39.970434
"1461029"	165.491217	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H+K"	39.970434
"246584"	624.057826	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+ACN+H"	42.033826
"1223305"	333.045826	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+ACN+H"	42.033826
"1207552"	167.026551	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+ACN+2H"	43.041102
"197143"	626.99516	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+2Na-H"	44.97116
"637798"	918.00716	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+2Na-H"	44.97116
"1135838"	335.98316	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2Na-H"	44.97116
"178762"	314.001218	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+2Na"	45.978436
"616865"	459.507218	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+2Na"	45.978436
"1124754"	168.495218	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2Na"	45.978436
"1405729"	112.665904	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H+2Na"	46.985712
"1439667"	338.024746	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H+HCOOH"	47.012746
"229363"	319.03424	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+3H2O+2H"	56.04448
"1518153"	352.07679	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+IsoProp+H"	61.06479
"417111"	321.988188	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+Na+K"	61.952376
"779565"	467.494188	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+Na+K"	61.952376
"1675530"	176.482188	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Na+K"	61.952376
"258044"	646.039768	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+ACN+Na"	64.015768
"1234037"	355.027768	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+ACN+Na"	64.015768
"1720735"	355.051293	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+NH4+HCOOH"	64.039293
"1187184"	119.993218	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+3Na"	68.967654
"1654159"	360.006688	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Na+HCOOH"	68.994688
"161751"	658.94304	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+2K-H"	76.91904
"603495"	949.95504	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+2K-H"	76.91904
"1092380"	367.93104	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2K-H"	76.91904
"150291"	329.975158	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"2M+2K"	77.926316
"583291"	475.481158	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"3M+2K"	77.926316
"1071081"	184.469158	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2K"	77.926316
"1101742"	369.945592	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2K+H"	78.933592
"1337518"	370.033207	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+DMSO+H"	79.021207
"1012494"	374.072376	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2ACN+H"	83.060376
"1530618"	375.066008	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+IsoProp+Na+H"	84.054008
"997070"	187.539826	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+2ACN+2H"	84.067652
"1595948"	375.980628	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+K+HCOOH"	84.968628
"1417596"	406.012138	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+H+CF3COOH"	115.000138
"1149708"	208.053101	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+3ACN+2H"	125.094202
"1700353"	423.038685	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+NH4+CF3COOH"	132.026685
"1642571"	427.99408	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+Na+CF3COOH"	136.98208
"1580409"	443.96802	"C07886"	"Brimonidine"	"C11H10BrN5"	"291.012"	"M+K+CF3COOH"	152.95602
"802392"	288.2202	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M"	0
"975314"	269.20181	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-H2O-H"	-19.01839
"64529"	191.139524	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M-3H"	-3.021828
"504089"	287.212924	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M-3H"	-3.021828
"892836"	95.066124	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-3H"	-3.021828
"13968"	287.212924	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M-2H"	-2.014552
"452430"	431.323024	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M-2H"	-2.014552
"830235"	143.102824	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-2H"	-2.014552
"86945"	575.433124	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M-H"	-1.007276
"524318"	863.653324	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M-H"	-1.007276
"902120"	287.212924	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-H"	-1.007276
"58685"	592.459671	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M-2H+NH4"	16.019271
"493875"	880.679871	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M-2H+NH4"	16.019271
"868398"	304.239471	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-2H+NH4"	16.019271
"36299"	597.415066	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M-2H+Na"	20.974666
"479141"	885.635266	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M-2H+Na"	20.974666
"859130"	309.194866	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-2H+Na"	20.974666
"1629756"	309.194866	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Na-2H"	20.974666
"105190"	305.201263	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M-H+Cl"	33.962126
"543657"	449.311363	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M-H+Cl"	33.962126
"938266"	161.091163	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-H+Cl"	33.962126
"278281"	611.409802	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+Cl"	34.969402
"671430"	899.630002	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+Cl"	34.969402
"1282740"	323.189602	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Cl"	34.969402
"24200"	613.389006	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M-2H+K"	36.948606
"463761"	901.609206	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M-2H+K"	36.948606
"841564"	325.168806	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-2H+K"	36.948606
"1561771"	325.168806	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+K-2H"	36.948606
"948560"	333.218394	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-H+HCOOH"	44.998194
"367869"	621.438601	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+HCOOH-H"	44.998201
"351754"	635.454251	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+Hac-H"	59.013851
"1496211"	347.234051	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Hac-H"	59.013851
"964847"	355.200351	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-H+NaCOOH"	66.980151
"115214"	323.189602	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+2Cl"	69.938804
"552223"	467.299702	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+2Cl"	69.938804
"1028678"	179.079502	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2Cl"	69.938804
"1244613"	367.139085	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Br"	78.918885
"1309977"	369.195072	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Cl+HCOOH"	80.974872
"1324558"	391.177029	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Cl+NaCOOH"	102.956829
"919260"	401.205786	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M-H+CF3COOH"	112.985586
"1290501"	437.182464	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Cl+CF3COOH"	148.962264
"1367814"	253.207524	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H-2H2O"	-35.012676
"1383972"	271.2175	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H-H2O"	-17.0027
"284509"	577.447676	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+H"	1.007276
"679361"	865.667876	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+H"	1.007276
"1360084"	289.227476	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H"	1.007276
"130785"	289.227476	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+2H"	2.014552
"571436"	433.337576	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+2H"	2.014552
"1040605"	145.117376	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2H"	2.014552
"209237"	193.154076	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+3H"	3.021828
"653172"	289.227476	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+3H"	3.021828
"1166924"	97.080676	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+3H"	3.021828
"436756"	594.474223	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+NH4"	18.033823
"786819"	882.694423	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+NH4"	18.033823
"1685338"	306.254023	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+NH4"	18.033823
"330699"	297.7407495	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+H+NH4"	19.041099
"723847"	441.8508495	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+H+NH4"	19.041099
"1480954"	153.6306495	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H+NH4"	19.041099
"394531"	599.429618	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+Na"	22.989218
"755278"	887.649818	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+Na"	22.989218
"1604355"	311.209418	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Na"	22.989218
"314992"	300.218447	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+H+Na"	23.996494
"713374"	444.328547	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+H+Na"	23.996494
"1469382"	156.108347	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H+Na"	23.996494
"1058253"	104.40799	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2H+Na"	25.00377
"1262118"	321.253686	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+CH3OH+H"	33.033486
"380327"	615.403558	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+K"	38.963158
"748251"	903.623758	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+K"	38.963158
"1549210"	327.183358	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+K"	38.963158
"312220"	308.205417	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+H+K"	39.970434
"703545"	452.315517	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+H+K"	39.970434
"1458822"	164.095317	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H+K"	39.970434
"249975"	618.474226	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+ACN+H"	42.033826
"1223413"	330.254026	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+ACN+H"	42.033826
"1206567"	165.630651	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+ACN+2H"	43.041102
"192877"	621.41156	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+2Na-H"	44.97116
"633169"	909.63176	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+2Na-H"	44.97116
"1135944"	333.19136	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2Na-H"	44.97116
"175592"	311.209418	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+2Na"	45.978436
"615153"	455.319518	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+2Na"	45.978436
"1123405"	167.099318	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2Na"	45.978436
"1403651"	111.735304	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H+2Na"	46.985712
"1437954"	335.232946	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H+HCOOH"	47.012746
"226556"	316.24244	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+3H2O+2H"	56.04448
"1516804"	349.28499	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+IsoProp+H"	61.06479
"417584"	319.196388	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+Na+K"	61.952376
"780767"	463.306488	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+Na+K"	61.952376
"1676004"	175.086288	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Na+K"	61.952376
"259246"	640.456168	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+ACN+Na"	64.015768
"1234144"	352.235968	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+ACN+Na"	64.015768
"1721937"	352.259493	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+NH4+HCOOH"	64.039293
"1187294"	119.062618	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+3Na"	68.967654
"1652081"	357.214888	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Na+HCOOH"	68.994688
"161860"	653.35944	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+2K-H"	76.91904
"600326"	941.57964	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+2K-H"	76.91904
"1085930"	365.13924	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2K-H"	76.91904
"142866"	327.183358	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"2M+2K"	77.926316
"581816"	471.293458	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"3M+2K"	77.926316
"1069973"	183.073258	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2K"	77.926316
"1101853"	367.153792	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2K+H"	78.933592
"1338600"	367.241407	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+DMSO+H"	79.021207
"1009324"	371.280576	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2ACN+H"	83.060376
"1528542"	372.274208	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+IsoProp+Na+H"	84.054008
"994993"	186.143926	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+2ACN+2H"	84.067652
"1593871"	373.188828	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+K+HCOOH"	84.968628
"1417342"	403.220338	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+H+CF3COOH"	115.000138
"1151276"	206.657201	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+3ACN+2H"	125.094202
"1698640"	420.246885	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+NH4+CF3COOH"	132.026685
"1639401"	425.20228	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+Na+CF3COOH"	136.98208
"1580519"	441.17622	"C07887"	"L-(-)-1-Butyl-26-pipecoloxylidide;Levobupivacaine"	"C18H28N2O"	"288.2202"	"M+K+CF3COOH"	152.95602
"802138"	260.0248	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M"	0
"974573"	241.00641	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H2O-H"	-19.01839
"67195"	172.342590666667	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-3H"	-3.021828
"507850"	259.017524	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-3H"	-3.021828
"892946"	85.6676573333333	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-3H"	-3.021828
"15700"	259.017524	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H"	-2.014552
"455379"	389.029924	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H"	-2.014552
"830346"	129.005124	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H"	-2.014552
"87057"	519.042324	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-H"	-1.007276
"532450"	779.067124	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-H"	-1.007276
"905511"	259.017524	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H"	-1.007276
"59888"	536.068871	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H+NH4"	16.019271
"492892"	796.093671	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H+NH4"	16.019271
"865586"	276.044071	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H+NH4"	16.019271
"31907"	541.024266	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H+Na"	20.974666
"475970"	801.049066	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H+Na"	20.974666
"851584"	280.999466	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H+Na"	20.974666
"1624399"	280.999466	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na-2H"	20.974666
"104208"	277.005863	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-H+Cl"	33.962126
"542674"	407.018263	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-H+Cl"	33.962126
"937284"	146.993463	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+Cl"	33.962126
"275839"	555.019002	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Cl"	34.969402
"664980"	815.043802	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+Cl"	34.969402
"1280662"	294.994202	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl"	34.969402
"22124"	556.998206	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M-2H+K"	36.948606
"463871"	817.023006	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M-2H+K"	36.948606
"838394"	296.973406	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-2H+K"	36.948606
"1560788"	296.973406	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K-2H"	36.948606
"947576"	305.022994	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+HCOOH"	44.998194
"367978"	565.047801	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+HCOOH-H"	44.998201
"354051"	579.063451	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Hac-H"	59.013851
"1502885"	319.038651	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Hac-H"	59.013851
"964957"	327.004951	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+NaCOOH"	66.980151
"114958"	294.994202	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2Cl"	69.938804
"555248"	425.006602	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2Cl"	69.938804
"1026236"	164.981802	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2Cl"	69.938804
"1245814"	338.943685	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Br"	78.918885
"1306442"	340.999672	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl+HCOOH"	80.974872
"1320042"	362.981629	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl+NaCOOH"	102.956829
"913904"	373.010386	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M-H+CF3COOH"	112.985586
"1289885"	408.987064	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Cl+CF3COOH"	148.962264
"1375333"	225.012124	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H-2H2O"	-35.012676
"1385175"	243.0221	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H-H2O"	-17.0027
"285957"	521.056876	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H"	1.007276
"678743"	781.081676	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H"	1.007276
"1355821"	261.032076	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H"	1.007276
"131989"	261.032076	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2H"	2.014552
"571550"	391.044476	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2H"	2.014552
"1042902"	131.019676	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2H"	2.014552
"214816"	174.357142666667	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+3H"	3.021828
"651097"	261.032076	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+3H"	3.021828
"1168128"	87.6822093333333	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+3H"	3.021828
"432493"	538.083423	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+NH4"	18.033823
"787294"	798.108223	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+NH4"	18.033823
"1684355"	278.058623	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+NH4"	18.033823
"333731"	269.5453495	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H+NH4"	19.041099
"724206"	399.5577495	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H+NH4"	19.041099
"1479972"	139.5329495	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+NH4"	19.041099
"396465"	543.038818	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Na"	22.989218
"754780"	803.063618	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+Na"	22.989218
"1602959"	283.014018	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na"	22.989218
"314534"	272.023047	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H+Na"	23.996494
"715671"	402.035447	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H+Na"	23.996494
"1463290"	142.010647	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+Na"	23.996494
"1056174"	95.0095233333333	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2H+Na"	25.00377
"1259310"	293.058286	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+CH3OH+H"	33.033486
"379710"	559.012758	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+K"	38.963158
"745077"	819.037558	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+K"	38.963158
"1548226"	298.987958	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K"	38.963158
"310506"	280.010017	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+H+K"	39.970434
"704386"	410.022417	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+H+K"	39.970434
"1457842"	149.997617	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+K"	39.970434
"249722"	562.083426	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+ACN+H"	42.033826
"1220607"	302.058626	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+ACN+H"	42.033826
"1201210"	151.532951	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+ACN+2H"	43.041102
"192988"	565.02076	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2Na-H"	44.97116
"636921"	825.04556	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2Na-H"	44.97116
"1133503"	304.99596	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2Na-H"	44.97116
"176434"	283.014018	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2Na"	45.978436
"617819"	413.026418	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2Na"	45.978436
"1126795"	153.001618	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2Na"	45.978436
"1407040"	102.336837333333	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+2Na"	46.985712
"1438065"	307.037546	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+HCOOH"	47.012746
"230676"	288.04704	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+3H2O+2H"	56.04448
"1515820"	321.08959	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+IsoProp+H"	61.06479
"417692"	291.000988	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+Na+K"	61.952376
"777597"	421.013388	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+Na+K"	61.952376
"1671743"	160.988588	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na+K"	61.952376
"257172"	584.065368	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+ACN+Na"	64.015768
"1232433"	324.040568	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+ACN+Na"	64.015768
"1717311"	324.064093	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+NH4+HCOOH"	64.039293
"1188133"	109.664151333333	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+3Na"	68.967654
"1653286"	329.019488	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na+HCOOH"	68.994688
"160512"	596.96864	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2K-H"	76.91904
"600436"	856.99344	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2K-H"	76.91904
"1088228"	336.94384	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2K-H"	76.91904
"143221"	298.987958	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"2M+2K"	77.926316
"583878"	429.000358	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"3M+2K"	77.926316
"1071306"	168.975558	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2K"	77.926316
"1102696"	338.958392	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2K+H"	78.933592
"1338348"	339.046007	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+DMSO+H"	79.021207
"1011621"	343.085176	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2ACN+H"	83.060376
"1529748"	344.078808	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+IsoProp+Na+H"	84.054008
"992184"	172.046226	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+2ACN+2H"	84.067652
"1591790"	344.993428	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K+HCOOH"	84.968628
"1419638"	375.024938	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+H+CF3COOH"	115.000138
"1148833"	192.559501	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+3ACN+2H"	125.094202
"1699483"	392.051485	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+NH4+CF3COOH"	132.026685
"1639509"	397.00688	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+Na+CF3COOH"	136.98208
"1571881"	412.98082	"C07888"	"Cyclophosphamide"	"C7H15Cl2N2O2P"	"260.0248"	"M+K+CF3COOH"	152.95602
"804435"	163.1361	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M"	0
"975780"	144.11771	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-H2O-H"	-19.01839
"65482"	107.750124	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M-3H"	-3.021828
"505773"	162.128824	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M-3H"	-3.021828
"887952"	53.371424	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-3H"	-3.021828
"5434"	162.128824	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M-2H"	-2.014552
"453747"	243.696874	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M-2H"	-2.014552
"829362"	80.560774	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-2H"	-2.014552
"88260"	325.264924	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M-H"	-1.007276
"524539"	488.401024	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M-H"	-1.007276
"902340"	162.128824	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-H"	-1.007276
"57447"	342.291471	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M-2H+NH4"	16.019271
"495189"	505.427571	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M-2H+NH4"	16.019271
"864845"	179.155371	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-2H+NH4"	16.019271
"31437"	347.246866	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M-2H+Na"	20.974666
"473892"	510.382966	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M-2H+Na"	20.974666
"853881"	184.110766	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-2H+Na"	20.974666
"1627789"	184.110766	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Na-2H"	20.974666
"104318"	180.117163	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M-H+Cl"	33.962126
"542784"	261.685213	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M-H+Cl"	33.962126
"937393"	98.549113	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-H+Cl"	33.962126
"278135"	361.241602	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+Cl"	34.969402
"666183"	524.377702	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+Cl"	34.969402
"1278585"	198.105502	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Cl"	34.969402
"22234"	363.220806	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M-2H+K"	36.948606
"461795"	526.356906	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M-2H+K"	36.948606
"837410"	200.084706	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-2H+K"	36.948606
"1560898"	200.084706	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+K-2H"	36.948606
"948780"	208.134294	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-H+HCOOH"	44.998194
"368088"	371.270401	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+HCOOH-H"	44.998201
"354161"	385.286051	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+Hac-H"	59.013851
"1501901"	222.149951	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Hac-H"	59.013851
"963244"	230.116251	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-H+NaCOOH"	66.980151
"113975"	198.105502	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+2Cl"	69.938804
"554994"	279.673552	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+2Cl"	69.938804
"1027076"	116.537452	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2Cl"	69.938804
"1245196"	242.054985	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Br"	78.918885
"1309104"	244.110972	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Cl+HCOOH"	80.974872
"1320766"	266.092929	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Cl+NaCOOH"	102.956829
"914743"	276.121686	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M-H+CF3COOH"	112.985586
"1289631"	312.098364	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Cl+CF3COOH"	148.962264
"1378725"	128.123424	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H-2H2O"	-35.012676
"1384919"	146.1334	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H-H2O"	-17.0027
"286067"	327.279476	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+H"	1.007276
"678490"	490.415576	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+H"	1.007276
"1359211"	164.143376	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H"	1.007276
"131006"	164.143376	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+2H"	2.014552
"570567"	245.711426	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+2H"	2.014552
"1041555"	82.575326	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2H"	2.014552
"213834"	109.764676	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+3H"	3.021828
"652302"	164.143376	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+3H"	3.021828
"1172613"	55.385976	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+3H"	3.021828
"430416"	344.306023	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+NH4"	18.033823
"786672"	507.442123	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+NH4"	18.033823
"1682636"	181.169923	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+NH4"	18.033823
"330391"	172.6566495	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+H+NH4"	19.041099
"722836"	254.2246995	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+H+NH4"	19.041099
"1477124"	91.0885995	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H+NH4"	19.041099
"395482"	349.261418	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+Na"	22.989218
"754594"	512.397518	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+Na"	22.989218
"1602935"	186.125318	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Na"	22.989218
"314352"	175.134347	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+H+Na"	23.996494
"710313"	256.702397	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+H+Na"	23.996494
"1461480"	93.566297	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H+Na"	23.996494
"1054458"	62.71329	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2H+Na"	25.00377
"1258325"	196.169586	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+CH3OH+H"	33.033486
"377993"	365.235358	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+K"	38.963158
"741907"	528.371458	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+K"	38.963158
"1542139"	202.099258	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+K"	38.963158
"309157"	183.121317	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+H+K"	39.970434
"703039"	264.689367	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+H+K"	39.970434
"1457588"	101.553267	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H+K"	39.970434
"246551"	368.306026	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+ACN+H"	42.033826
"1218531"	205.169926	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+ACN+H"	42.033826
"1203505"	103.088601	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+ACN+2H"	43.041102
"192003"	371.24336	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+2Na-H"	44.97116
"632658"	534.37946	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+2Na-H"	44.97116
"1132154"	208.10726	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2Na-H"	44.97116
"176180"	186.125318	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+2Na"	45.978436
"615370"	267.693368	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+2Na"	45.978436
"1128365"	104.557268	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2Na"	45.978436
"1407150"	70.040604	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H+2Na"	46.985712
"1439267"	210.148846	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H+HCOOH"	47.012746
"230422"	191.15834	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+3H2O+2H"	56.04448
"1514837"	224.20089	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+IsoProp+H"	61.06479
"415617"	194.112288	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+Na+K"	61.952376
"778800"	275.680338	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+Na+K"	61.952376
"1671854"	112.544238	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Na+K"	61.952376
"258376"	390.287968	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+ACN+Na"	64.015768
"1231450"	227.151868	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+ACN+Na"	64.015768
"1722160"	227.175393	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+NH4+HCOOH"	64.039293
"1190430"	77.367918	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+3Na"	68.967654
"1655220"	232.130788	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Na+HCOOH"	68.994688
"161716"	403.19124	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+2K-H"	76.91904
"600912"	566.32734	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+2K-H"	76.91904
"1088704"	240.05514	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2K-H"	76.91904
"143696"	202.099258	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"2M+2K"	77.926316
"583624"	283.667308	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"3M+2K"	77.926316
"1071416"	120.531208	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2K"	77.926316
"1102806"	242.069692	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2K+H"	78.933592
"1337001"	242.157307	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+DMSO+H"	79.021207
"1012824"	246.196476	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2ACN+H"	83.060376
"1526942"	247.190108	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+IsoProp+Na+H"	84.054008
"990835"	123.601876	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+2ACN+2H"	84.067652
"1589713"	248.104728	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+K+HCOOH"	84.968628
"1419748"	278.136238	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+H+CF3COOH"	115.000138
"1148943"	144.115151	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+3ACN+2H"	125.094202
"1698253"	295.162785	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+NH4+CF3COOH"	132.026685
"1639619"	300.11818	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+Na+CF3COOH"	136.98208
"1574178"	316.09212	"C07889"	"Mephentermine"	"C11H17N"	"163.1361"	"M+K+CF3COOH"	152.95602
"802359"	254.1267	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M"	0
"978079"	235.10831	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-H2O-H"	-19.01839
"65593"	168.410524	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M-3H"	-3.021828
"513540"	253.119424	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M-3H"	-3.021828
"892439"	83.701624	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-3H"	-3.021828
"8829"	253.119424	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M-2H"	-2.014552
"452763"	380.182774	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M-2H"	-2.014552
"827285"	126.056074	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-2H"	-2.014552
"85090"	507.246124	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M-H"	-1.007276
"523556"	761.372824	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M-H"	-1.007276
"908288"	253.119424	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-H"	-1.007276
"59020"	524.272671	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M-2H+NH4"	16.019271
"495299"	778.399371	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M-2H+NH4"	16.019271
"879427"	270.145971	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-2H+NH4"	16.019271
"45745"	529.228066	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M-2H+Na"	20.974666
"479471"	783.354766	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M-2H+Na"	20.974666
"857273"	275.101366	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-2H+Na"	20.974666
"1627900"	275.101366	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Na-2H"	20.974666
"104429"	271.107763	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M-H+Cl"	33.962126
"545083"	398.171113	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M-H+Cl"	33.962126
"937868"	144.044413	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-H+Cl"	33.962126
"274968"	543.222802	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+Cl"	34.969402
"667388"	797.349502	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+Cl"	34.969402
"1278699"	289.096102	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Cl"	34.969402
"21252"	545.202006	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M-2H+K"	36.948606
"462999"	799.328706	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M-2H+K"	36.948606
"840801"	291.075306	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-2H+K"	36.948606
"1561008"	291.075306	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+K-2H"	36.948606
"949984"	299.124894	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-H+HCOOH"	44.998194
"369291"	553.251601	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+HCOOH-H"	44.998201
"354271"	567.267251	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+Hac-H"	59.013851
"1502012"	313.140551	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Hac-H"	59.013851
"965179"	321.106851	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-H+NaCOOH"	66.980151
"115180"	289.096102	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+2Cl"	69.938804
"554741"	416.159452	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+2Cl"	69.938804
"1031195"	162.032752	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2Cl"	69.938804
"1249682"	333.045585	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Br"	78.918885
"1313225"	335.101572	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Cl+HCOOH"	80.974872
"1325982"	357.083529	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Cl+NaCOOH"	102.956829
"912664"	367.112286	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M-H+CF3COOH"	112.985586
"1290834"	403.088964	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Cl+CF3COOH"	148.962264
"1367578"	219.114024	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H-2H2O"	-35.012676
"1388679"	237.124	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H-H2O"	-17.0027
"291645"	509.260676	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+H"	1.007276
"681878"	763.387376	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+H"	1.007276
"1360414"	255.133976	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H"	1.007276
"131115"	255.133976	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+2H"	2.014552
"573962"	382.197326	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+2H"	2.014552
"1041667"	128.070626	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2H"	2.014552
"208476"	170.425076	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+3H"	3.021828
"653502"	255.133976	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+3H"	3.021828
"1174544"	85.716176	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+3H"	3.021828
"426153"	526.287223	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+NH4"	18.033823
"787631"	780.413923	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+NH4"	18.033823
"1683107"	272.160523	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+NH4"	18.033823
"331028"	263.6472495	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+H+NH4"	19.041099
"723079"	390.7105995	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+H+NH4"	19.041099
"1477226"	136.5838995	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H+NH4"	19.041099
"395592"	531.242618	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+Na"	22.989218
"754553"	785.369318	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+Na"	22.989218
"1602970"	277.115918	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Na"	22.989218
"314715"	266.124947	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+H+Na"	23.996494
"707419"	393.188297	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+H+Na"	23.996494
"1462661"	139.061597	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H+Na"	23.996494
"1055665"	93.04349	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2H+Na"	25.00377
"1261351"	287.160186	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+CH3OH+H"	33.033486
"377284"	547.216558	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+K"	38.963158
"740921"	801.343258	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+K"	38.963158
"1545165"	293.089858	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+K"	38.963158
"306715"	274.111917	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+H+K"	39.970434
"700230"	401.175267	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+H+K"	39.970434
"1449677"	147.048567	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H+K"	39.970434
"241559"	550.287226	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+ACN+H"	42.033826
"1217546"	296.160526	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+ACN+H"	42.033826
"1204710"	148.583901	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+ACN+2H"	43.041102
"190045"	553.22456	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+2Na-H"	44.97116
"630941"	807.35126	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+2Na-H"	44.97116
"1132993"	299.09786	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2Na-H"	44.97116
"175188"	277.115918	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+2Na"	45.978436
"620230"	404.179268	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+2Na"	45.978436
"1124828"	150.052568	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2Na"	45.978436
"1407989"	100.370804	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H+2Na"	46.985712
"1437187"	301.139446	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H+HCOOH"	47.012746
"227978"	282.14894	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+3H2O+2H"	56.04448
"1514946"	315.19149	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+IsoProp+H"	61.06479
"419005"	285.102888	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+Na+K"	61.952376
"777819"	412.166238	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+Na+K"	61.952376
"1669049"	158.039538	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Na+K"	61.952376
"255204"	572.269168	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+ACN+Na"	64.015768
"1231559"	318.142468	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+ACN+Na"	64.015768
"1718986"	318.165993	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+NH4+HCOOH"	64.039293
"1183251"	107.698118	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+3Na"	68.967654
"1652047"	323.121388	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Na+HCOOH"	68.994688
"159273"	585.17244	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+2K-H"	76.91904
"598466"	839.29914	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+2K-H"	76.91904
"1084803"	331.04574	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2K-H"	76.91904
"141775"	293.089858	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"2M+2K"	77.926316
"582635"	420.153208	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"3M+2K"	77.926316
"1069704"	166.026508	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2K"	77.926316
"1102550"	333.060292	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2K+H"	78.933592
"1337119"	333.147907	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+DMSO+H"	79.021207
"1010019"	337.187076	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2ACN+H"	83.060376
"1529968"	338.180708	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+IsoProp+Na+H"	84.054008
"990702"	169.097176	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+2ACN+2H"	84.067652
"1590920"	339.095328	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+K+HCOOH"	84.968628
"1418765"	369.126838	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+H+CF3COOH"	115.000138
"1149054"	189.610451	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+3ACN+2H"	125.094202
"1699704"	386.153385	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+NH4+CF3COOH"	132.026685
"1639730"	391.10878	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+Na+CF3COOH"	136.98208
"1574288"	407.08272	"C07890"	"Midodrine"	"C12H18N2O4"	"254.1267"	"M+K+CF3COOH"	152.95602
"804656"	293.1991	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M"	0
"979280"	274.18071	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-H2O-H"	-19.01839
"67523"	194.458790666667	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M-3H"	-3.021828
"513650"	292.191824	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M-3H"	-3.021828
"894369"	96.7257573333333	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-3H"	-3.021828
"12219"	292.191824	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M-2H"	-2.014552
"452510"	438.791374	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M-2H"	-2.014552
"824114"	145.592274	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-2H"	-2.014552
"87387"	585.390924	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M-H"	-1.007276
"524760"	878.590024	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M-H"	-1.007276
"908763"	292.191824	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-H"	-1.007276
"58037"	602.417471	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M-2H+NH4"	16.019271
"495409"	895.616571	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M-2H+NH4"	16.019271
"878322"	309.218371	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-2H+NH4"	16.019271
"44396"	607.372866	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M-2H+Na"	20.974666
"481768"	900.571966	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M-2H+Na"	20.974666
"857383"	314.173766	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-2H+Na"	20.974666
"1624730"	314.173766	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Na-2H"	20.974666
"104539"	310.180163	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M-H+Cl"	33.962126
"544099"	456.779713	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M-H+Cl"	33.962126
"935426"	163.580613	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-H+Cl"	33.962126
"273984"	621.367602	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+Cl"	34.969402
"667497"	914.566702	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+Cl"	34.969402
"1278079"	328.168502	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Cl"	34.969402
"23549"	623.346806	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M-2H+K"	36.948606
"460923"	916.545906	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M-2H+K"	36.948606
"837631"	330.147706	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-2H+K"	36.948606
"1561118"	330.147706	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+K-2H"	36.948606
"950093"	338.197294	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-H+HCOOH"	44.998194
"366485"	631.396401	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+HCOOH-H"	44.998201
"353288"	645.412051	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+Hac-H"	59.013851
"1500299"	352.212951	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Hac-H"	59.013851
"964194"	360.179251	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-H+NaCOOH"	66.980151
"114195"	328.168502	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+2Cl"	69.938804
"558496"	474.768052	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+2Cl"	69.938804
"1028389"	181.568952	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2Cl"	69.938804
"1247604"	372.117985	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Br"	78.918885
"1314426"	374.173972	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Cl+HCOOH"	80.974872
"1327550"	396.155929	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Cl+NaCOOH"	102.956829
"921888"	406.184686	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M-H+CF3COOH"	112.985586
"1294223"	442.161364	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Cl+CF3COOH"	148.962264
"1369105"	258.186424	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H-2H2O"	-35.012676
"1389882"	276.1964	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H-H2O"	-17.0027
"295035"	587.405476	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+H"	1.007276
"685268"	880.604576	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+H"	1.007276
"1356149"	294.206376	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H"	1.007276
"128673"	294.206376	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+2H"	2.014552
"570783"	440.805926	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+2H"	2.014552
"1044693"	147.606826	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2H"	2.014552
"209681"	196.473342666667	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+3H"	3.021828
"651426"	294.206376	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+3H"	3.021828
"1172832"	98.7403093333333	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+3H"	3.021828
"430638"	604.432023	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+NH4"	18.033823
"792725"	897.631123	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+NH4"	18.033823
"1683224"	311.232923	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+NH4"	18.033823
"331869"	302.7196495	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+H+NH4"	19.041099
"724043"	449.3191995	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+H+NH4"	19.041099
"1478228"	156.1200995	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H+NH4"	19.041099
"393636"	609.387418	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+Na"	22.989218
"754624"	902.586518	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+Na"	22.989218
"1603003"	316.188318	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Na"	22.989218
"317378"	305.197347	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+H+Na"	23.996494
"708097"	451.796897	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+H+Na"	23.996494
"1466540"	158.597797	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H+Na"	23.996494
"1056505"	106.067623333333	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2H+Na"	25.00377
"1266931"	326.232586	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+CH3OH+H"	33.033486
"381131"	625.361358	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+K"	38.963158
"743221"	918.560458	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+K"	38.963158
"1549649"	332.162258	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+K"	38.963158
"306825"	313.184317	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+H+K"	39.970434
"703620"	459.783867	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+H+K"	39.970434
"1453068"	166.584767	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H+K"	39.970434
"246043"	628.432026	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+ACN+H"	42.033826
"1218751"	335.232926	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+ACN+H"	42.033826
"1202634"	168.120101	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+ACN+2H"	43.041102
"193317"	631.36936	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+2Na-H"	44.97116
"631053"	924.56846	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+2Na-H"	44.97116
"1134923"	338.17026	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2Na-H"	44.97116
"177120"	316.188318	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+2Na"	45.978436
"618152"	462.787868	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+2Na"	45.978436
"1121658"	169.588768	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2Na"	45.978436
"1405182"	113.394937333333	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H+2Na"	46.985712
"1437297"	340.211846	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H+HCOOH"	47.012746
"226994"	321.22134	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+3H2O+2H"	56.04448
"1513963"	354.26389	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+IsoProp+H"	61.06479
"415835"	324.175288	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+Na+K"	61.952376
"780115"	470.774838	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+Na+K"	61.952376
"1675354"	177.575738	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Na+K"	61.952376
"259688"	650.413968	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+ACN+Na"	64.015768
"1234584"	357.214868	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+ACN+Na"	64.015768
"1722376"	357.238393	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+NH4+HCOOH"	64.039293
"1193201"	120.722251333333	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+3Na"	68.967654
"1658720"	362.193788	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Na+HCOOH"	68.994688
"166674"	663.31724	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+2K-H"	76.91904
"602953"	956.51634	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+2K-H"	76.91904
"1089651"	370.11814	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2K-H"	76.91904
"145375"	332.162258	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"2M+2K"	77.926316
"584572"	478.761808	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"3M+2K"	77.926316
"1072367"	185.562708	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2K"	77.926316
"1104844"	372.132692	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2K+H"	78.933592
"1337955"	372.220307	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+DMSO+H"	79.021207
"1009765"	376.259476	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2ACN+H"	83.060376
"1528984"	377.253108	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+IsoProp+Na+H"	84.054008
"991783"	188.633376	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+2ACN+2H"	84.067652
"1592122"	378.167728	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+K+HCOOH"	84.968628
"1418875"	408.199238	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+H+CF3COOH"	115.000138
"1148071"	209.146651	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+3ACN+2H"	125.094202
"1698721"	425.225785	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+NH4+CF3COOH"	132.026685
"1639840"	430.18118	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+Na+CF3COOH"	136.98208
"1574398"	446.15512	"C07892"	"Pramoxine;Pramocaine"	"C17H27NO3"	"293.1991"	"M+K+CF3COOH"	152.95602
"803673"	272.1292	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M"	0
"975746"	253.11081	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-H2O-H"	-19.01839
"75293"	180.412190666667	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M-3H"	-3.021828
"510479"	271.121924	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M-3H"	-3.021828
"892663"	89.7024573333333	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-3H"	-3.021828
"7958"	271.121924	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M-2H"	-2.014552
"446424"	407.186524	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M-2H"	-2.014552
"824227"	135.057324	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-2H"	-2.014552
"84217"	543.251124	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M-H"	-1.007276
"532167"	815.380324	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M-H"	-1.007276
"904864"	271.121924	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-H"	-1.007276
"52676"	560.277671	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M-2H+NH4"	16.019271
"495517"	832.406871	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M-2H+NH4"	16.019271
"866758"	288.148471	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-2H+NH4"	16.019271
"35754"	565.233066	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M-2H+Na"	20.974666
"480782"	837.362266	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M-2H+Na"	20.974666
"853118"	293.103866	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-2H+Na"	20.974666
"1623742"	293.103866	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Na-2H"	20.974666
"104645"	289.110263	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M-H+Cl"	33.962126
"542022"	425.174863	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M-H+Cl"	33.962126
"930797"	153.045663	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-H+Cl"	33.962126
"277010"	579.227802	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+Cl"	34.969402
"667608"	851.357002	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+Cl"	34.969402
"1280012"	307.098602	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Cl"	34.969402
"23659"	581.207006	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M-2H+K"	36.948606
"461033"	853.336206	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M-2H+K"	36.948606
"842115"	309.077806	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-2H+K"	36.948606
"1561229"	309.077806	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+K-2H"	36.948606
"949110"	317.127394	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-H+HCOOH"	44.998194
"366233"	589.256601	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+HCOOH-H"	44.998201
"349753"	603.272251	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+Hac-H"	59.013851
"1498221"	331.143051	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Hac-H"	59.013851
"963576"	339.109351	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-H+NaCOOH"	66.980151
"114671"	307.098602	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+2Cl"	69.938804
"558242"	443.163202	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+2Cl"	69.938804
"1028135"	171.034002	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2Cl"	69.938804
"1250994"	351.048085	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Br"	78.918885
"1316722"	353.104072	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Cl+HCOOH"	80.974872
"1330941"	375.086029	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Cl+NaCOOH"	102.956829
"920906"	385.114786	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M-H+CF3COOH"	112.985586
"1291419"	421.091464	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Cl+CF3COOH"	148.962264
"1376866"	237.116524	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H-2H2O"	-35.012676
"1388897"	255.1265	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H-H2O"	-17.0027
"291862"	545.265676	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+H"	1.007276
"683193"	817.394876	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+H"	1.007276
"1359539"	273.136476	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H"	1.007276
"126962"	273.136476	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+2H"	2.014552
"573090"	409.201076	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+2H"	2.014552
"1041889"	137.071876	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2H"	2.014552
"213070"	182.426742666667	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+3H"	3.021828
"655912"	273.136476	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+3H"	3.021828
"1171849"	91.7170093333334	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+3H"	3.021828
"431842"	562.292223	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+NH4"	18.033823
"789556"	834.421423	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+NH4"	18.033823
"1682972"	290.163023	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+NH4"	18.033823
"331982"	281.6497495	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+H+NH4"	19.041099
"723059"	417.7143495	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+H+NH4"	19.041099
"1478219"	145.5851495	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H+NH4"	19.041099
"393739"	567.247618	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+Na"	22.989218
"755101"	839.376818	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+Na"	22.989218
"1604778"	295.118418	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Na"	22.989218
"318218"	284.127447	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+H+Na"	23.996494
"708818"	420.192047	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+H+Na"	23.996494
"1465556"	148.062847	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H+Na"	23.996494
"1055154"	99.0443233333333	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2H+Na"	25.00377
"1258654"	305.162686	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+CH3OH+H"	33.033486
"385613"	583.221558	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+K"	38.963158
"745518"	855.350758	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+K"	38.963158
"1549758"	311.092358	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+K"	38.963158
"306935"	292.114417	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+H+K"	39.970434
"699358"	428.179017	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+H+K"	39.970434
"1456454"	156.049817	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H+K"	39.970434
"245059"	586.292226	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+ACN+H"	42.033826
"1218861"	314.163026	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+ACN+H"	42.033826
"1203837"	157.585151	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+ACN+2H"	43.041102
"191968"	589.22956	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+2Na-H"	44.97116
"630435"	861.35876	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+2Na-H"	44.97116
"1135397"	317.10036	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2Na-H"	44.97116
"173838"	295.118418	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+2Na"	45.978436
"623732"	431.183018	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+2Na"	45.978436
"1121768"	159.053818	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2Na"	45.978436
"1404198"	106.371637333333	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H+2Na"	46.985712
"1434130"	319.141946	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H+HCOOH"	47.012746
"227104"	300.15144	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+3H2O+2H"	56.04448
"1512982"	333.19399	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+IsoProp+H"	61.06479
"417045"	303.105388	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+Na+K"	61.952376
"773667"	439.169988	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+Na+K"	61.952376
"1669999"	167.040788	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Na+K"	61.952376
"258706"	608.274168	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+ACN+Na"	64.015768
"1233602"	336.144968	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+ACN+Na"	64.015768
"1718118"	336.168493	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+NH4+HCOOH"	64.039293
"1185657"	113.698951333333	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+3Na"	68.967654
"1652270"	341.123888	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Na+HCOOH"	68.994688
"165692"	621.17744	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+2K-H"	76.91904
"598688"	893.30664	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+2K-H"	76.91904
"1087575"	349.04824	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2K-H"	76.91904
"144391"	311.092358	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"2M+2K"	77.926316
"582860"	447.156958	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"3M+2K"	77.926316
"1071020"	175.027758	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2K"	77.926316
"1101683"	351.062792	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2K+H"	78.933592
"1337701"	351.150407	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+DMSO+H"	79.021207
"1007682"	355.189576	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2ACN+H"	83.060376
"1525811"	356.183208	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+IsoProp+Na+H"	84.054008
"992626"	178.098426	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+2ACN+2H"	84.067652
"1590046"	357.097828	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+K+HCOOH"	84.968628
"1414739"	387.129338	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+H+CF3COOH"	115.000138
"1159852"	198.611701	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+3ACN+2H"	125.094202
"1698832"	404.155885	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+NH4+CF3COOH"	132.026685
"1643231"	409.11128	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+Na+CF3COOH"	136.98208
"1581069"	425.08522	"C07894"	"Procaine hydrochloride"	"C13H20N2O2HCl"	"272.1292"	"M+K+CF3COOH"	152.95602
"802323"	294.1943	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M"	0
"975856"	275.17591	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-H2O-H"	-19.01839
"75403"	195.122257333333	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M-3H"	-3.021828
"509496"	293.187024	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M-3H"	-3.021828
"889494"	97.0574906666667	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-3H"	-3.021828
"6975"	293.187024	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M-2H"	-2.014552
"446535"	440.284174	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M-2H"	-2.014552
"825431"	146.089874	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-2H"	-2.014552
"86515"	587.381324	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M-H"	-1.007276
"528997"	881.575624	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M-H"	-1.007276
"903883"	293.187024	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-H"	-1.007276
"54974"	604.407871	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M-2H+NH4"	16.019271
"493441"	898.602171	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M-2H+NH4"	16.019271
"864922"	310.213571	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-2H+NH4"	16.019271
"39145"	609.363266	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M-2H+Na"	20.974666
"479800"	903.557566	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M-2H+Na"	20.974666
"857602"	315.168966	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-2H+Na"	20.974666
"1626041"	315.168966	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Na-2H"	20.974666
"102570"	311.175363	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M-H+Cl"	33.962126
"543226"	458.272513	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M-H+Cl"	33.962126
"936740"	164.078213	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-H+Cl"	33.962126
"274205"	623.358002	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+Cl"	34.969402
"667719"	917.552302	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+Cl"	34.969402
"1280122"	329.163702	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Cl"	34.969402
"21582"	625.337206	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M-2H+K"	36.948606
"461143"	919.531506	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M-2H+K"	36.948606
"840038"	331.142906	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-2H+K"	36.948606
"1559152"	331.142906	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+K-2H"	36.948606
"945936"	339.192494	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-H+HCOOH"	44.998194
"365977"	633.386801	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+HCOOH-H"	44.998201
"349864"	647.402451	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+Hac-H"	59.013851
"1496506"	353.208151	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Hac-H"	59.013851
"961134"	361.174451	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-H+NaCOOH"	66.980151
"112593"	329.163702	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+2Cl"	69.938804
"557259"	476.260852	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+2Cl"	69.938804
"1031525"	182.066552	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2Cl"	69.938804
"1251104"	373.113185	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Br"	78.918885
"1317925"	375.169172	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Cl+HCOOH"	80.974872
"1327771"	397.151129	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Cl+NaCOOH"	102.956829
"921015"	407.179886	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M-H+CF3COOH"	112.985586
"1292622"	443.156564	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Cl+CF3COOH"	148.962264
"1378069"	259.181624	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H-2H2O"	-35.012676
"1387912"	277.1916	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H-H2O"	-17.0027
"291972"	589.395876	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+H"	1.007276
"684395"	883.590176	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+H"	1.007276
"1358555"	295.201576	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H"	1.007276
"127800"	295.201576	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+2H"	2.014552
"574293"	442.298726	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+2H"	2.014552
"1041999"	148.104426	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2H"	2.014552
"213180"	197.136809333333	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+3H"	3.021828
"654929"	295.201576	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+3H"	3.021828
"1169773"	99.0720426666667	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+3H"	3.021828
"430859"	606.422423	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+NH4"	18.033823
"787841"	900.616723	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+NH4"	18.033823
"1684175"	312.228123	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+NH4"	18.033823
"331363"	303.7148495	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+H+NH4"	19.041099
"723215"	450.8119995	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+H+NH4"	19.041099
"1477638"	156.6176995	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H+NH4"	19.041099
"393486"	611.377818	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+Na"	22.989218
"756547"	905.572118	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+Na"	22.989218
"1603792"	317.183518	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Na"	22.989218
"318328"	306.192547	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+H+Na"	23.996494
"710385"	453.289697	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+H+Na"	23.996494
"1465665"	159.095397	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H+Na"	23.996494
"1055264"	106.399356666667	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2H+Na"	25.00377
"1259493"	327.227786	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+CH3OH+H"	33.033486
"387910"	627.351758	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+K"	38.963158
"748907"	921.546058	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+K"	38.963158
"1548775"	333.157458	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+K"	38.963158
"308138"	314.179517	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+H+K"	39.970434
"699467"	461.276667	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+H+K"	39.970434
"1456565"	167.082367	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H+K"	39.970434
"242981"	630.422426	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+ACN+H"	42.033826
"1222250"	336.228126	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+ACN+H"	42.033826
"1203946"	168.617701	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+ACN+2H"	43.041102
"190254"	633.35976	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+2Na-H"	44.97116
"629574"	927.55406	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+2Na-H"	44.97116
"1133320"	339.16546	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2Na-H"	44.97116
"174556"	317.183518	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+2Na"	45.978436
"622749"	464.280668	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+2Na"	45.978436
"1121878"	170.086368	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2Na"	45.978436
"1402122"	113.726670666667	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H+2Na"	46.985712
"1431323"	341.207046	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H+HCOOH"	47.012746
"222475"	322.21654	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+3H2O+2H"	56.04448
"1511999"	355.25909	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+IsoProp+H"	61.06479
"414968"	325.170488	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+Na+K"	61.952376
"773777"	472.267638	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+Na+K"	61.952376
"1670109"	178.073338	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Na+K"	61.952376
"255536"	652.404368	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+ACN+Na"	64.015768
"1230430"	358.210068	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+ACN+Na"	64.015768
"1718226"	358.233593	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+NH4+HCOOH"	64.039293
"1182487"	121.053984666667	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+3Na"	68.967654
"1653474"	363.188988	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Na+HCOOH"	68.994688
"165802"	665.30764	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+2K-H"	76.91904
"599405"	959.50194	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+2K-H"	76.91904
"1086593"	371.11334	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2K-H"	76.91904
"145593"	333.157458	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"2M+2K"	77.926316
"584427"	480.254608	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"3M+2K"	77.926316
"1071130"	186.060308	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2K"	77.926316
"1103981"	373.127892	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2K+H"	78.933592
"1338904"	373.215507	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+DMSO+H"	79.021207
"1007792"	377.254676	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2ACN+H"	83.060376
"1526770"	378.248308	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+IsoProp+Na+H"	84.054008
"992366"	189.130976	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+2ACN+2H"	84.067652
"1589426"	379.162928	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+K+HCOOH"	84.968628
"1414728"	409.194438	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+H+CF3COOH"	115.000138
"1159962"	209.644251	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+3ACN+2H"	125.094202
"1700035"	426.220985	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+NH4+CF3COOH"	132.026685
"1643341"	431.17638	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+Na+CF3COOH"	136.98208
"1581179"	447.15032	"C07895"	"Propoxycaine"	"C16H26N2O3"	"294.1943"	"M+K+CF3COOH"	152.95602
"802800"	246.0924	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M"	0
"975358"	227.07401	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-H2O-H"	-19.01839
"78395"	163.054324	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M-3H"	-3.021828
"517263"	245.085124	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M-3H"	-3.021828
"894339"	81.023524	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-3H"	-3.021828
"8179"	245.085124	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M-2H"	-2.014552
"447738"	368.131324	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M-2H"	-2.014552
"826635"	122.038924	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-2H"	-2.014552
"83344"	491.177524	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M-H"	-1.007276
"529472"	737.269924	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M-H"	-1.007276
"902897"	245.085124	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-H"	-1.007276
"55084"	508.204071	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M-2H+NH4"	16.019271
"495739"	754.296471	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M-2H+NH4"	16.019271
"869168"	262.111671	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-2H+NH4"	16.019271
"38164"	513.159466	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M-2H+Na"	20.974666
"479912"	759.251866	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M-2H+Na"	20.974666
"857714"	267.067066	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-2H+Na"	20.974666
"1627244"	267.067066	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Na-2H"	20.974666
"100492"	263.073463	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M-H+Cl"	33.962126
"544065"	386.119663	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M-H+Cl"	33.962126
"933568"	140.027263	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-H+Cl"	33.962126
"274315"	527.154202	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+Cl"	34.969402
"666734"	773.246602	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+Cl"	34.969402
"1278045"	281.061802	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Cl"	34.969402
"20963"	529.133406	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M-2H+K"	36.948606
"460523"	775.225806	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M-2H+K"	36.948606
"836502"	283.041006	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-2H+K"	36.948606
"1560720"	283.041006	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+K-2H"	36.948606
"946048"	291.090594	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-H+HCOOH"	44.998194
"366090"	537.183001	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+HCOOH-H"	44.998201
"348150"	551.198651	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+Hac-H"	59.013851
"1496983"	305.106251	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Hac-H"	59.013851
"962337"	313.072551	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-H+NaCOOH"	66.980151
"112703"	281.061802	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+2Cl"	69.938804
"557369"	404.108002	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+2Cl"	69.938804
"1031635"	158.015602	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2Cl"	69.938804
"1250121"	325.011285	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Br"	78.918885
"1316943"	327.067272	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Cl+HCOOH"	80.974872
"1331890"	349.049229	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Cl+NaCOOH"	102.956829
"921125"	359.077986	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M-H+CF3COOH"	112.985586
"1300023"	395.054664	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Cl+CF3COOH"	148.962264
"1378179"	211.079724	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H-2H2O"	-35.012676
"1389115"	229.0897	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H-H2O"	-17.0027
"288802"	493.192076	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+H"	1.007276
"681225"	739.284476	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+H"	1.007276
"1357572"	247.099676	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H"	1.007276
"126814"	247.099676	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+2H"	2.014552
"571119"	370.145876	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+2H"	2.014552
"1045390"	124.053476	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2H"	2.014552
"213291"	165.068876	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+3H"	3.021828
"652850"	247.099676	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+3H"	3.021828
"1166603"	83.038076	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+3H"	3.021828
"433155"	510.218623	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+NH4"	18.033823
"791962"	756.311023	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+NH4"	18.033823
"1681732"	264.126223	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+NH4"	18.033823
"330378"	255.6129495	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+H+NH4"	19.041099
"723771"	378.6591495	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+H+NH4"	19.041099
"1478441"	132.5667495	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H+NH4"	19.041099
"393068"	515.174018	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+Na"	22.989218
"756294"	761.266418	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+Na"	22.989218
"1607308"	269.081618	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Na"	22.989218
"317345"	258.090647	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+H+Na"	23.996494
"709768"	381.136847	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+H+Na"	23.996494
"1465775"	135.044447	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H+Na"	23.996494
"1056101"	90.36539	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2H+Na"	25.00377
"1262884"	279.125886	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+CH3OH+H"	33.033486
"385833"	531.147958	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+K"	38.963158
"745737"	777.240358	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+K"	38.963158
"1546698"	285.055558	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+K"	38.963158
"310436"	266.077617	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+H+K"	39.970434
"697387"	389.123817	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+H+K"	39.970434
"1456676"	143.031417	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H+K"	39.970434
"241998"	534.218626	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+ACN+H"	42.033826
"1222359"	288.126226	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+ACN+H"	42.033826
"1201869"	144.566751	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+ACN+2H"	43.041102
"190731"	537.15596	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+2Na-H"	44.97116
"630656"	783.24836	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+2Na-H"	44.97116
"1132337"	291.06356	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2Na-H"	44.97116
"174059"	269.081618	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+2Na"	45.978436
"615201"	392.127818	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+2Na"	45.978436
"1117005"	146.035418	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2Na"	45.978436
"1399433"	97.692704	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H+2Na"	46.985712
"1430458"	293.105146	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H+HCOOH"	47.012746
"220641"	274.11464	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+3H2O+2H"	56.04448
"1510286"	307.15719	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+IsoProp+H"	61.06479
"418358"	277.068588	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+Na+K"	61.952376
"773887"	400.114788	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+Na+K"	61.952376
"1675687"	154.022388	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Na+K"	61.952376
"260018"	556.200568	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+ACN+Na"	64.015768
"1233822"	310.108168	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+ACN+Na"	64.015768
"1719429"	310.131693	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+NH4+HCOOH"	64.039293
"1188063"	105.020018	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+3Na"	68.967654
"1652489"	315.087088	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Na+HCOOH"	68.994688
"162632"	569.10384	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+2K-H"	76.91904
"598787"	815.19624	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+2K-H"	76.91904
"1085729"	323.01144	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2K-H"	76.91904
"142790"	285.055558	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"2M+2K"	77.926316
"584172"	408.101758	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"3M+2K"	77.926316
"1070148"	162.009358	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2K"	77.926316
"1103358"	325.025992	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2K+H"	78.933592
"1338651"	325.113607	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+DMSO+H"	79.021207
"1007543"	329.152776	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2ACN+H"	83.060376
"1527126"	330.146408	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+IsoProp+Na+H"	84.054008
"991508"	165.080026	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+2ACN+2H"	84.067652
"1589174"	331.061028	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+K+HCOOH"	84.968628
"1415202"	361.092538	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+H+CF3COOH"	115.000138
"1160072"	185.593301	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+3ACN+2H"	125.094202
"1704520"	378.119085	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+NH4+CF3COOH"	132.026685
"1634702"	383.07448	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+Na+CF3COOH"	136.98208
"1581291"	399.04842	"C07898"	"Naphazoline hydrochloride"	"C14H14N2HCl"	"246.0924"	"M+K+CF3COOH"	152.95602
"801817"	176.0586	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M"	0
"974345"	157.04021	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-H2O-H"	-19.01839
"76718"	116.365124	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M-3H"	-3.021828
"517252"	175.051324	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M-3H"	-3.021828
"891899"	57.678924	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-3H"	-3.021828
"9383"	175.051324	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M-2H"	-2.014552
"445662"	263.080624	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M-2H"	-2.014552
"826745"	87.022024	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-2H"	-2.014552
"84548"	351.109924	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M-H"	-1.007276
"528490"	527.168524	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M-H"	-1.007276
"906291"	175.051324	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-H"	-1.007276
"50822"	368.136471	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M-2H+NH4"	16.019271
"494759"	544.195071	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M-2H+NH4"	16.019271
"875843"	192.077871	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-2H+NH4"	16.019271
"44472"	373.091866	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M-2H+Na"	20.974666
"482210"	549.150466	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M-2H+Na"	20.974666
"860011"	197.033266	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-2H+Na"	20.974666
"1622252"	197.033266	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Na-2H"	20.974666
"103883"	193.039663	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M-H+Cl"	33.962126
"537977"	281.068963	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M-H+Cl"	33.962126
"931492"	105.010363	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-H+Cl"	33.962126
"272235"	387.086602	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+Cl"	34.969402
"665751"	563.145202	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+Cl"	34.969402
"1277058"	211.028002	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Cl"	34.969402
"22896"	389.065806	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M-2H+K"	36.948606
"460997"	565.124406	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M-2H+K"	36.948606
"837339"	213.007206	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-2H+K"	36.948606
"1560828"	213.007206	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+K-2H"	36.948606
"946159"	221.056794	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-H+HCOOH"	44.998194
"365106"	397.115401	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+HCOOH-H"	44.998201
"350083"	411.131051	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+Hac-H"	59.013851
"1495269"	235.072451	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Hac-H"	59.013851
"961717"	243.038751	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-H+NaCOOH"	66.980151
"116095"	211.028002	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+2Cl"	69.938804
"556386"	299.057302	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+2Cl"	69.938804
"1026640"	122.998702	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2Cl"	69.938804
"1247314"	254.977485	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Br"	78.918885
"1313772"	257.033472	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Cl+HCOOH"	80.974872
"1332362"	279.015429	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Cl+NaCOOH"	102.956829
"916863"	289.044186	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M-H+CF3COOH"	112.985586
"1296853"	325.020864	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Cl+CF3COOH"	148.962264
"1378289"	141.045924	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H-2H2O"	-35.012676
"1386309"	159.0559	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H-H2O"	-17.0027
"288912"	353.124476	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+H"	1.007276
"683522"	529.183076	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+H"	1.007276
"1356589"	177.065876	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H"	1.007276
"128385"	177.065876	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+2H"	2.014552
"571230"	265.095176	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+2H"	2.014552
"1045500"	89.036576	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2H"	2.014552
"214495"	118.379676	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+3H"	3.021828
"651867"	177.065876	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+3H"	3.021828
"1168900"	59.693476	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+3H"	3.021828
"431080"	370.151023	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+NH4"	18.033823
"794260"	546.209623	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+NH4"	18.033823
"1690591"	194.092423	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+NH4"	18.033823
"330368"	185.5791495	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+H+NH4"	19.041099
"723641"	273.6084495	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+H+NH4"	19.041099
"1479646"	97.5498495	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H+NH4"	19.041099
"393827"	375.106418	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+Na"	22.989218
"756041"	551.165018	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+Na"	22.989218
"1609605"	199.047818	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Na"	22.989218
"319642"	188.056847	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+H+Na"	23.996494
"709878"	276.086147	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+H+Na"	23.996494
"1469167"	100.027547	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H+Na"	23.996494
"1056941"	67.02079	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2H+Na"	25.00377
"1266273"	209.092086	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+CH3OH+H"	33.033486
"385943"	391.080358	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+K"	38.963158
"745848"	567.138958	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+K"	38.963158
"1546809"	215.021758	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+K"	38.963158
"309453"	196.043817	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+H+K"	39.970434
"698592"	284.073117	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+H+K"	39.970434
"1454600"	108.014517	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H+K"	39.970434
"241015"	394.151026	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+ACN+H"	42.033826
"1220283"	218.092426	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+ACN+H"	42.033826
"1204166"	109.549851	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+ACN+2H"	43.041102
"189058"	397.08836	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+2Na-H"	44.97116
"630401"	573.14696	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+2Na-H"	44.97116
"1133177"	221.02976	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2Na-H"	44.97116
"175380"	199.047818	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+2Na"	45.978436
"615308"	287.077118	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+2Na"	45.978436
"1116631"	111.018518	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2Na"	45.978436
"1402342"	74.348104	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H+2Na"	46.985712
"1431908"	223.071346	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H+HCOOH"	47.012746
"220101"	204.08084	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+3H2O+2H"	56.04448
"1508706"	237.12339	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+IsoProp+H"	61.06479
"413363"	207.034788	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+Na+K"	61.952376
"774725"	295.064088	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+Na+K"	61.952376
"1672517"	119.005488	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Na+K"	61.952376
"257942"	416.132968	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+ACN+Na"	64.015768
"1229555"	240.074368	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+ACN+Na"	64.015768
"1716257"	240.097893	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+NH4+HCOOH"	64.039293
"1181246"	81.675418	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+3Na"	68.967654
"1652963"	245.053288	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Na+HCOOH"	68.994688
"160555"	429.03624	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+2K-H"	76.91904
"599384"	605.09484	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+2K-H"	76.91904
"1086084"	252.97764	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2K-H"	76.91904
"143264"	215.021758	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"2M+2K"	77.926316
"582580"	303.051058	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"3M+2K"	77.926316
"1070622"	126.992458	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2K"	77.926316
"1102010"	254.992192	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2K+H"	78.933592
"1339125"	255.079807	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+DMSO+H"	79.021207
"1007653"	259.118976	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2ACN+H"	83.060376
"1526508"	260.112608	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+IsoProp+Na+H"	84.054008
"991497"	130.063126	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+2ACN+2H"	84.067652
"1589648"	261.027228	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+K+HCOOH"	84.968628
"1417134"	291.058738	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+H+CF3COOH"	115.000138
"1153985"	150.576401	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+3ACN+2H"	125.094202
"1700255"	308.085285	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+NH4+CF3COOH"	132.026685
"1634812"	313.04068	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+Na+CF3COOH"	136.98208
"1581401"	329.01462	"C07899"	"Pemoline"	"C9H8N2O2"	"176.0586"	"M+K+CF3COOH"	152.95602
"815785"	191.131	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M"	0
"987492"	172.11261	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-H2O-H"	-19.01839
"76470"	126.413390666667	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M-3H"	-3.021828
"510927"	190.123724	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M-3H"	-3.021828
"887637"	62.7030573333333	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-3H"	-3.021828
"4026"	190.123724	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M-2H"	-2.014552
"443586"	285.689224	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M-2H"	-2.014552
"830144"	94.558224	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-2H"	-2.014552
"85759"	381.254724	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M-H"	-1.007276
"524224"	572.385724	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M-H"	-1.007276
"903117"	190.123724	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-H"	-1.007276
"54213"	398.281271	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M-2H+NH4"	16.019271
"493776"	589.412271	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M-2H+NH4"	16.019271
"870484"	207.150271	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-2H+NH4"	16.019271
"38385"	403.236666	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M-2H+Na"	20.974666
"477944"	594.367666	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M-2H+Na"	20.974666
"854653"	212.105666	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-2H+Na"	20.974666
"1622000"	212.105666	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Na-2H"	20.974666
"102903"	208.112063	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M-H+Cl"	33.962126
"541368"	303.677563	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M-H+Cl"	33.962126
"934883"	112.546563	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-H+Cl"	33.962126
"277816"	417.231402	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+Cl"	34.969402
"669143"	608.362402	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+Cl"	34.969402
"1282639"	226.100402	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Cl"	34.969402
"24102"	419.210606	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M-2H+K"	36.948606
"459284"	610.341606	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M-2H+K"	36.948606
"835992"	228.079606	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-2H+K"	36.948606
"1560577"	228.079606	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+K-2H"	36.948606
"948459"	236.129194	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-H+HCOOH"	44.998194
"365582"	427.260201	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+HCOOH-H"	44.998201
"347641"	441.275851	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+Hac-H"	59.013851
"1495745"	250.144851	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Hac-H"	59.013851
"964016"	258.111151	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-H+NaCOOH"	66.980151
"118028"	226.100402	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+2Cl"	69.938804
"553578"	321.665902	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+2Cl"	69.938804
"1031128"	130.534902	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2Cl"	69.938804
"1245966"	270.049885	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Br"	78.918885
"1313884"	272.105872	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Cl+HCOOH"	80.974872
"1327004"	294.087829	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Cl+NaCOOH"	102.956829
"916969"	304.116586	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M-H+CF3COOH"	112.985586
"1292218"	340.093264	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Cl+CF3COOH"	148.962264
"1370014"	156.118324	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H-2H2O"	-35.012676
"1386418"	174.1283	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H-H2O"	-17.0027
"286105"	383.269276	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+H"	1.007276
"677436"	574.400276	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+H"	1.007276
"1358892"	192.138276	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H"	1.007276
"130689"	192.138276	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+2H"	2.014552
"572437"	287.703776	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+2H"	2.014552
"1048890"	96.572776	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2H"	2.014552
"214604"	128.427942666667	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+3H"	3.021828
"648699"	192.138276	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+3H"	3.021828
"1167917"	64.7176093333333	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+3H"	3.021828
"427912"	400.295823	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+NH4"	18.033823
"792191"	591.426823	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+NH4"	18.033823
"1683054"	209.164823	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+NH4"	18.033823
"331452"	200.6515495	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+H+NH4"	19.041099
"724843"	296.2170495	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+H+NH4"	19.041099
"1478174"	105.0860495	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H+NH4"	19.041099
"397339"	405.251218	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+Na"	22.989218
"757242"	596.382218	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+Na"	22.989218
"1606434"	214.120218	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Na"	22.989218
"317566"	203.129247	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+H+Na"	23.996494
"709987"	298.694747	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+H+Na"	23.996494
"1463441"	107.563747	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H+Na"	23.996494
"1057052"	72.0449233333333	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2H+Na"	25.00377
"1259824"	224.164486	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+CH3OH+H"	33.033486
"384962"	421.225158	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+K"	38.963158
"743772"	612.356158	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+K"	38.963158
"1544003"	230.094158	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+K"	38.963158
"305189"	211.116217	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+H+K"	39.970434
"699797"	306.681717	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+H+K"	39.970434
"1451431"	115.550717	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H+K"	39.970434
"244404"	424.295826	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+ACN+H"	42.033826
"1215651"	233.164826	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+ACN+H"	42.033826
"1198079"	117.086051	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+ACN+2H"	43.041102
"190585"	427.23316	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+2Na-H"	44.97116
"630157"	618.36416	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+2Na-H"	44.97116
"1134386"	236.10216	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2Na-H"	44.97116
"176957"	214.120218	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+2Na"	45.978436
"613145"	309.685718	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+2Na"	45.978436
"1116862"	118.554718	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2Na"	45.978436
"1400997"	79.3722373333333	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H+2Na"	46.985712
"1431287"	238.143746	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H+HCOOH"	47.012746
"222445"	219.15324	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+3H2O+2H"	56.04448
"1515614"	252.19579	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+IsoProp+H"	61.06479
"414207"	222.107188	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+Na+K"	61.952376
"777392"	317.672688	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+Na+K"	61.952376
"1679189"	126.541688	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Na+K"	61.952376
"256963"	446.277768	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+ACN+Na"	64.015768
"1228577"	255.146768	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+ACN+Na"	64.015768
"1715278"	255.170293	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+NH4+HCOOH"	64.039293
"1181726"	86.6995513333333	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+3Na"	68.967654
"1651133"	260.125688	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Na+HCOOH"	68.994688
"157750"	459.18104	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+2K-H"	76.91904
"597674"	650.31204	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+2K-H"	76.91904
"1090213"	268.05004	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2K-H"	76.91904
"145936"	230.094158	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"2M+2K"	77.926316
"583311"	325.659658	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"3M+2K"	77.926316
"1070733"	134.528658	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2K"	77.926316
"1101274"	270.064592	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2K+H"	78.933592
"1341791"	270.152207	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+DMSO+H"	79.021207
"1008255"	274.191376	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2ACN+H"	83.060376
"1526257"	275.185008	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+IsoProp+Na+H"	84.054008
"992708"	137.599326	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+2ACN+2H"	84.067652
"1600334"	276.099628	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+K+HCOOH"	84.968628
"1416152"	306.131138	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+H+CF3COOH"	115.000138
"1155189"	158.112601	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+3ACN+2H"	125.094202
"1711304"	323.157685	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+NH4+CF3COOH"	132.026685
"1648050"	328.11308	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+Na+CF3COOH"	136.98208
"1584792"	344.08702	"C07904"	"Phendimetrazine"	"C12H17NO"	"191.131"	"M+K+CF3COOH"	152.95602
"816258"	270.0616	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M"	0
"985412"	251.04321	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-H2O-H"	-19.01839
"74758"	179.033790666667	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M-3H"	-3.021828
"508852"	269.054324	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M-3H"	-3.021828
"893215"	89.0132573333333	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-3H"	-3.021828
"11794"	269.054324	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M-2H"	-2.014552
"454398"	404.085124	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M-2H"	-2.014552
"828066"	134.023524	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-2H"	-2.014552
"91336"	539.115924	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M-H"	-1.007276
"533090"	809.177524	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M-H"	-1.007276
"908459"	269.054324	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-H"	-1.007276
"60405"	556.142471	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M-2H+NH4"	16.019271
"498261"	826.204071	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M-2H+NH4"	16.019271
"876063"	286.080871	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-2H+NH4"	16.019271
"40682"	561.097866	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M-2H+Na"	20.974666
"481335"	831.159466	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M-2H+Na"	20.974666
"855857"	291.036266	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-2H+Na"	20.974666
"1627578"	291.036266	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Na-2H"	20.974666
"100827"	287.042663	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M-H+Cl"	33.962126
"543668"	422.073463	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M-H+Cl"	33.962126
"932808"	152.011863	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-H+Cl"	33.962126
"275006"	575.092602	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+Cl"	34.969402
"667794"	845.154202	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+Cl"	34.969402
"1282751"	305.031002	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Cl"	34.969402
"21296"	577.071806	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M-2H+K"	36.948606
"462314"	847.133406	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M-2H+K"	36.948606
"839390"	307.010206	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-2H+K"	36.948606
"1565067"	307.010206	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+K-2H"	36.948606
"946383"	315.059794	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-H+HCOOH"	44.998194
"366422"	585.121401	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+HCOOH-H"	44.998201
"350668"	599.137051	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+Hac-H"	59.013851
"1496219"	329.075451	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Hac-H"	59.013851
"959262"	337.041751	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-H+NaCOOH"	66.980151
"116314"	305.031002	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+2Cl"	69.938804
"552959"	440.061802	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+2Cl"	69.938804
"1027957"	170.000202	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2Cl"	69.938804
"1246806"	348.980485	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Br"	78.918885
"1308527"	351.036472	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Cl+HCOOH"	80.974872
"1324201"	373.018429	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Cl+NaCOOH"	102.956829
"918177"	383.047186	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M-H+CF3COOH"	112.985586
"1293792"	419.023864	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Cl+CF3COOH"	148.962264
"1374142"	235.048924	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H-2H2O"	-35.012676
"1394920"	253.0589	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H-H2O"	-17.0027
"293513"	541.130476	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+H"	1.007276
"683747"	811.192076	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+H"	1.007276
"1360098"	271.068876	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H"	1.007276
"137360"	271.068876	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+2H"	2.014552
"576924"	406.099676	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+2H"	2.014552
"1050097"	136.038076	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2H"	2.014552
"214717"	181.048342666667	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+3H"	3.021828
"649907"	271.068876	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+3H"	3.021828
"1166939"	91.0278093333333	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+3H"	3.021828
"438600"	558.157023	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+NH4"	18.033823
"794489"	828.218623	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+NH4"	18.033823
"1685714"	288.095423	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+NH4"	18.033823
"336905"	279.5821495	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+H+NH4"	19.041099
"729326"	414.6129495	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+H+NH4"	19.041099
"1480960"	144.5513495	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H+NH4"	19.041099
"398544"	563.112418	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+Na"	22.989218
"757357"	833.174018	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+Na"	22.989218
"1605455"	293.050818	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Na"	22.989218
"316218"	282.059847	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+H+Na"	23.996494
"711195"	417.090647	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+H+Na"	23.996494
"1471577"	147.029047	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H+Na"	23.996494
"1061541"	98.3551233333333	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2H+Na"	25.00377
"1265407"	303.095086	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+CH3OH+H"	33.033486
"389449"	579.086358	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+K"	38.963158
"752268"	849.147958	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+K"	38.963158
"1550312"	309.024758	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+K"	38.963158
"305300"	290.046817	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+H+K"	39.970434
"699908"	425.077617	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+H+K"	39.970434
"1447893"	155.016017	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H+K"	39.970434
"237588"	582.157026	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+ACN+H"	42.033826
"1212486"	312.095426	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+ACN+H"	42.033826
"1195646"	156.551351	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+ACN+2H"	43.041102
"190704"	585.09436	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+2Na-H"	44.97116
"635736"	855.15596	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+2Na-H"	44.97116
"1137425"	315.03276	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2Na-H"	44.97116
"175976"	293.050818	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+2Na"	45.978436
"613709"	428.081618	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+2Na"	45.978436
"1121229"	158.020018	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2Na"	45.978436
"1404754"	105.682437333333	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H+2Na"	46.985712
"1434688"	317.074346	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H+HCOOH"	47.012746
"227665"	298.08384	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+3H2O+2H"	56.04448
"1517914"	331.12639	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+IsoProp+H"	61.06479
"421975"	301.037788	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+Na+K"	61.952376
"777502"	436.068588	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+Na+K"	61.952376
"1681207"	166.006988	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Na+K"	61.952376
"264728"	604.138968	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+ACN+Na"	64.015768
"1239990"	334.077368	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+ACN+Na"	64.015768
"1720856"	334.100893	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+NH4+HCOOH"	64.039293
"1185116"	113.009751333333	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+3Na"	68.967654
"1660483"	339.056288	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Na+HCOOH"	68.994688
"162977"	617.04224	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+2K-H"	76.91904
"605452"	887.10384	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+2K-H"	76.91904
"1089237"	346.98064	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2K-H"	76.91904
"149697"	309.024758	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"2M+2K"	77.926316
"589258"	444.055558	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"3M+2K"	77.926316
"1074136"	173.993958	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2K"	77.926316
"1105524"	348.995192	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2K+H"	78.933592
"1341908"	349.082807	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+DMSO+H"	79.021207
"1011533"	353.121976	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2ACN+H"	83.060376
"1531483"	354.115608	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+IsoProp+Na+H"	84.054008
"997196"	177.064626	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+2ACN+2H"	84.067652
"1596075"	355.030228	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+K+HCOOH"	84.968628
"1423919"	385.061738	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+H+CF3COOH"	115.000138
"1160404"	197.577901	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+3ACN+2H"	125.094202
"1709226"	402.088285	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+NH4+CF3COOH"	132.026685
"1647068"	407.04368	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+Na+CF3COOH"	136.98208
"1581622"	423.01762	"C07905"	"Leflunomide"	"C12H9F3N2O2"	"270.0616"	"M+K+CF3COOH"	152.95602
"806520"	240.0488	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M"	0
"975799"	221.03041	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H2O-H"	-19.01839
"78145"	159.025257333333	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-3H"	-3.021828
"516615"	239.041524	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-3H"	-3.021828
"888949"	79.0089906666667	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-3H"	-3.021828
"11904"	239.041524	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H"	-2.014552
"453779"	359.065924	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H"	-2.014552
"831460"	119.017124	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H"	-2.014552
"92419"	479.090324	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-H"	-1.007276
"529916"	719.139124	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-H"	-1.007276
"906625"	239.041524	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H"	-1.007276
"57718"	496.116871	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H+NH4"	16.019271
"498371"	736.165671	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H+NH4"	16.019271
"871799"	256.068071	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H+NH4"	16.019271
"40792"	501.072266	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H+Na"	20.974666
"482538"	741.121066	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H+Na"	20.974666
"855967"	261.023466	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H+Na"	20.974666
"1626595"	261.023466	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na-2H"	20.974666
"108228"	257.029863	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-H+Cl"	33.962126
"543778"	377.054263	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-H+Cl"	33.962126
"932551"	137.005463	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+Cl"	33.962126
"274386"	515.067002	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Cl"	34.969402
"670454"	755.115802	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+Cl"	34.969402
"1283953"	275.018202	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl"	34.969402
"21406"	517.046206	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H+K"	36.948606
"464978"	757.095006	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H+K"	36.948606
"838406"	276.997406	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H+K"	36.948606
"1565177"	276.997406	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K-2H"	36.948606
"948317"	285.046994	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+HCOOH"	44.998194
"365438"	525.095801	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+HCOOH-H"	44.998201
"348956"	539.111451	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Hac-H"	59.013851
"1494507"	299.062651	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Hac-H"	59.013851
"962049"	307.028951	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+NaCOOH"	66.980151
"114967"	275.018202	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2Cl"	69.938804
"555621"	395.042602	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2Cl"	69.938804
"1026608"	154.993802	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2Cl"	69.938804
"1246187"	318.967685	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Br"	78.918885
"1306813"	321.023672	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl+HCOOH"	80.974872
"1322851"	343.005629	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl+NaCOOH"	102.956829
"914639"	353.034386	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+CF3COOH"	112.985586
"1290623"	389.011064	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl+CF3COOH"	148.962264
"1370241"	205.036124	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H-2H2O"	-35.012676
"1388467"	223.0461	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H-H2O"	-17.0027
"293623"	481.104876	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H"	1.007276
"682763"	721.153676	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H"	1.007276
"1362393"	241.056076	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H"	1.007276
"140752"	241.056076	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2H"	2.014552
"577034"	361.080476	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2H"	2.014552
"1048020"	121.031676	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2H"	2.014552
"218107"	161.039809333333	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+3H"	3.021828
"652204"	241.056076	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+3H"	3.021828
"1170329"	81.0235426666667	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+3H"	3.021828
"439075"	498.131423	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+NH4"	18.033823
"794599"	738.180223	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+NH4"	18.033823
"1689834"	258.082623	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+NH4"	18.033823
"334829"	249.5693495	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H+NH4"	19.041099
"729436"	369.5937495	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H+NH4"	19.041099
"1480341"	129.5449495	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+NH4"	19.041099
"398655"	503.086818	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Na"	22.989218
"757467"	743.135618	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+Na"	22.989218
"1607022"	263.038018	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na"	22.989218
"317058"	252.047047	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H+Na"	23.996494
"711305"	372.071447	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H+Na"	23.996494
"1471687"	132.022647	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+Na"	23.996494
"1062745"	88.3508566666667	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2H+Na"	25.00377
"1268797"	273.082286	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+CH3OH+H"	33.033486
"391382"	519.060758	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+K"	38.963158
"754085"	759.109558	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+K"	38.963158
"1551151"	279.011958	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K"	38.963158
"306503"	260.034017	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H+K"	39.970434
"702935"	380.058417	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H+K"	39.970434
"1449463"	140.009617	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+K"	39.970434
"238791"	522.131426	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+ACN+H"	42.033826
"1213687"	282.082626	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+ACN+H"	42.033826
"1196122"	141.544951	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+ACN+2H"	43.041102
"190449"	525.06876	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2Na-H"	44.97116
"632566"	765.11756	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2Na-H"	44.97116
"1135710"	285.01996	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2Na-H"	44.97116
"178272"	263.038018	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2Na"	45.978436
"614914"	383.062418	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2Na"	45.978436
"1123525"	143.013618	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2Na"	45.978436
"1401582"	95.6781706666667	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+2Na"	46.985712
"1434798"	287.061546	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+HCOOH"	47.012746
"229961"	268.07104	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+3H2O+2H"	56.04448
"1514744"	301.11359	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+IsoProp+H"	61.06479
"422085"	271.024988	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Na+K"	61.952376
"773238"	391.049388	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+Na+K"	61.952376
"1677223"	151.000588	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na+K"	61.952376
"264838"	544.113368	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+ACN+Na"	64.015768
"1238641"	304.064568	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+ACN+Na"	64.015768
"1720966"	304.088093	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+NH4+HCOOH"	64.039293
"1185226"	103.005484666667	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+3Na"	68.967654
"1654395"	309.043488	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na+HCOOH"	68.994688
"167095"	557.01664	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2K-H"	76.91904
"607382"	797.06544	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2K-H"	76.91904
"1089349"	316.96784	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2K-H"	76.91904
"151627"	279.011958	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2K"	77.926316
"590098"	399.036358	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2K"	77.926316
"1075340"	158.987558	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2K"	77.926316
"1106725"	318.982392	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2K+H"	78.933592
"1345665"	319.070007	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+DMSO+H"	79.021207
"1012736"	323.109176	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2ACN+H"	83.060376
"1533051"	324.102808	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+IsoProp+Na+H"	84.054008
"996213"	162.058226	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2ACN+2H"	84.067652
"1597277"	325.017428	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K+HCOOH"	84.968628
"1420749"	355.048938	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+CF3COOH"	115.000138
"1157599"	182.571501	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+3ACN+2H"	125.094202
"1708243"	372.075485	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+NH4+CF3COOH"	132.026685
"1647178"	377.03088	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na+CF3COOH"	136.98208
"1581732"	393.00482	"C07906"	"Levamisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K+CF3COOH"	152.95602
"802257"	433.2101	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M"	0
"974694"	414.19171	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-H2O-H"	-19.01839
"77039"	287.799457333333	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M-3H"	-3.021828
"513441"	432.202824	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M-3H"	-3.021828
"887965"	143.396090666667	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-3H"	-3.021828
"10915"	432.202824	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M-2H"	-2.014552
"449383"	648.807874	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M-2H"	-2.014552
"832551"	215.597774	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-2H"	-2.014552
"92529"	865.412924	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M-H"	-1.007276
"530025"	1298.623024	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M-H"	-1.007276
"906733"	432.202824	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-H"	-1.007276
"51631"	882.439471	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M-2H+NH4"	16.019271
"493013"	1315.649571	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M-2H+NH4"	16.019271
"871906"	449.229371	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-2H+NH4"	16.019271
"40901"	887.394866	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M-2H+Na"	20.974666
"481552"	1320.604966	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M-2H+Na"	20.974666
"857170"	454.184766	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-2H+Na"	20.974666
"1625611"	454.184766	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Na-2H"	20.974666
"107609"	450.191163	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M-H+Cl"	33.962126
"544981"	666.796213	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M-H+Cl"	33.962126
"930840"	233.586113	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-H+Cl"	33.962126
"274861"	901.389602	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+Cl"	34.969402
"671657"	1334.599702	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+Cl"	34.969402
"1286248"	468.179502	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Cl"	34.969402
"24436"	903.368806	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M-2H+K"	36.948606
"465088"	1336.578906	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M-2H+K"	36.948606
"838516"	470.158706	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-2H+K"	36.948606
"1565287"	470.158706	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+K-2H"	36.948606
"944413"	478.208294	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-H+HCOOH"	44.998194
"367008"	911.418401	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+HCOOH-H"	44.998201
"347611"	925.434051	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+Hac-H"	59.013851
"1493891"	492.223951	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Hac-H"	59.013851
"959973"	500.190251	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-H+NaCOOH"	66.980151
"111430"	468.179502	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+2Cl"	69.938804
"554271"	684.784552	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+2Cl"	69.938804
"1025623"	251.574452	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2Cl"	69.938804
"1245930"	512.128985	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Br"	78.918885
"1306192"	514.184972	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Cl+HCOOH"	80.974872
"1322961"	536.166929	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Cl+NaCOOH"	102.956829
"914020"	546.195686	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M-H+CF3COOH"	112.985586
"1291092"	582.172364	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Cl+CF3COOH"	148.962264
"1367549"	398.197424	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H-2H2O"	-35.012676
"1383468"	416.2074	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H-H2O"	-17.0027
"290453"	867.427476	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+H"	1.007276
"680687"	1300.637576	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+H"	1.007276
"1358131"	434.217376	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H"	1.007276
"138311"	434.217376	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+2H"	2.014552
"574957"	650.822426	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+2H"	2.014552
"1044850"	217.612326	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2H"	2.014552
"214937"	289.814009333333	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+3H"	3.021828
"652314"	434.217376	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+3H"	3.021828
"1169346"	145.410642666667	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+3H"	3.021828
"439308"	884.454023	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+NH4"	18.033823
"793616"	1317.664123	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+NH4"	18.033823
"1689944"	451.243923	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+NH4"	18.033823
"336032"	442.7306495	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+H+NH4"	19.041099
"728453"	659.3356995	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+H+NH4"	19.041099
"1480087"	226.1255995	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H+NH4"	19.041099
"398765"	889.409418	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+Na"	22.989218
"758670"	1322.619518	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+Na"	22.989218
"1606768"	456.199318	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Na"	22.989218
"316804"	445.208347	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+H+Na"	23.996494
"712508"	661.813397	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+H+Na"	23.996494
"1471797"	228.603297	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H+Na"	23.996494
"1060668"	152.737956666667	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2H+Na"	25.00377
"1264533"	466.243586	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+CH3OH+H"	33.033486
"387482"	905.383358	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+K"	38.963158
"750301"	1338.593458	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+K"	38.963158
"1551260"	472.173258	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+K"	38.963158
"305519"	453.195317	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+H+K"	39.970434
"702316"	669.800367	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+H+K"	39.970434
"1451759"	236.590267	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H+K"	39.970434
"240724"	908.454026	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+ACN+H"	42.033826
"1213435"	475.243926	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+ACN+H"	42.033826
"1196232"	238.125601	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+ACN+2H"	43.041102
"190925"	911.39136	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+2Na-H"	44.97116
"632676"	1344.60146	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+2Na-H"	44.97116
"1134727"	478.18126	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2Na-H"	44.97116
"179111"	456.199318	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+2Na"	45.978436
"613322"	672.804368	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+2Na"	45.978436
"1121084"	239.594268	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2Na"	45.978436
"1402786"	160.065270666667	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H+2Na"	46.985712
"1435269"	480.222846	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H+HCOOH"	47.012746
"227884"	461.23234	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+3H2O+2H"	56.04448
"1513760"	494.27489	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+IsoProp+H"	61.06479
"413446"	464.186288	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+Na+K"	61.952376
"773347"	680.791338	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+Na+K"	61.952376
"1670773"	247.581238	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Na+K"	61.952376
"264948"	930.435968	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+ACN+Na"	64.015768
"1237658"	497.225868	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+ACN+Na"	64.015768
"1721076"	497.249393	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+NH4+HCOOH"	64.039293
"1184242"	167.392584666667	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+3Na"	68.967654
"1655233"	502.204788	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Na+HCOOH"	68.994688
"165378"	943.33924	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+2K-H"	76.91904
"607126"	1376.54934	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+2K-H"	76.91904
"1092738"	510.12914	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2K-H"	76.91904
"149550"	472.173258	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"2M+2K"	77.926316
"591300"	688.778308	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"3M+2K"	77.926316
"1078001"	255.568208	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2K"	77.926316
"1105742"	512.143692	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2K+H"	78.933592
"1346502"	512.231307	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+DMSO+H"	79.021207
"1012845"	516.270476	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2ACN+H"	83.060376
"1536440"	517.264108	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+IsoProp+Na+H"	84.054008
"995230"	258.638876	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+2ACN+2H"	84.067652
"1594107"	518.178728	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+K+HCOOH"	84.968628
"1421952"	548.210238	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+H+CF3COOH"	115.000138
"1155521"	279.152151	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+3ACN+2H"	125.094202
"1709446"	565.236785	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+NH4+CF3COOH"	132.026685
"1647288"	570.19218	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+Na+CF3COOH"	136.98208
"1581842"	586.16612	"C07908"	"Mycophenolate mofetil;RS 61443"	"C23H31NO7"	"433.2101"	"M+K+CF3COOH"	152.95602
"802367"	913.5551	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M"	0
"975897"	894.53671	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-H2O-H"	-19.01839
"77149"	608.029457333333	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M-3H"	-3.021828
"516834"	912.547824	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M-3H"	-3.021828
"888076"	303.511090666667	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-3H"	-3.021828
"8839"	912.547824	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M-2H"	-2.014552
"449493"	1369.325374	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M-2H"	-2.014552
"832744"	455.770274	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-2H"	-2.014552
"92761"	1826.102924	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M-H"	-1.007276
"531228"	2739.658024	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M-H"	-1.007276
"902468"	912.547824	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-H"	-1.007276
"53561"	1843.129471	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M-2H+NH4"	16.019271
"493122"	2756.684571	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M-2H+NH4"	16.019271
"872016"	929.574371	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-2H+NH4"	16.019271
"38821"	1848.084866	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M-2H+Na"	20.974666
"477287"	2761.639966	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M-2H+Na"	20.974666
"857279"	934.529766	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-2H+Na"	20.974666
"1629001"	934.529766	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Na-2H"	20.974666
"103344"	930.536163	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M-H+Cl"	33.962126
"542904"	1387.313713	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M-H+Cl"	33.962126
"932407"	473.758613	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-H+Cl"	33.962126
"272785"	1862.079602	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+Cl"	34.969402
"671769"	2775.634702	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+Cl"	34.969402
"1287331"	948.524502	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Cl"	34.969402
"26732"	1864.058806	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M-2H+K"	36.948606
"466291"	2777.613906	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M-2H+K"	36.948606
"840813"	950.503706	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-2H+K"	36.948606
"1565397"	950.503706	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+K-2H"	36.948606
"944161"	958.553294	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-H+HCOOH"	44.998194
"369305"	1872.108401	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+HCOOH-H"	44.998201
"349908"	1886.124051	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+Hac-H"	59.013851
"1493638"	972.568951	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Hac-H"	59.013851
"959597"	980.535251	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-H+NaCOOH"	66.980151
"114095"	948.524502	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+2Cl"	69.938804
"556936"	1405.302052	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+2Cl"	69.938804
"1024275"	491.746952	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2Cl"	69.938804
"1249687"	992.473985	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Br"	78.918885
"1305937"	994.529972	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Cl+HCOOH"	80.974872
"1330726"	1016.511929	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Cl+NaCOOH"	102.956829
"916317"	1026.540686	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M-H+CF3COOH"	112.985586
"1294118"	1062.517364	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Cl+CF3COOH"	148.962264
"1368269"	878.542424	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H-2H2O"	-35.012676
"1386861"	896.5524	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H-H2O"	-17.0027
"286189"	1828.117476	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+H"	1.007276
"681891"	2741.672576	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+H"	1.007276
"1358241"	914.562376	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H"	1.007276
"137692"	914.562376	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+2H"	2.014552
"578712"	1371.339926	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+2H"	2.014552
"1044960"	457.784826	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2H"	2.014552
"213953"	610.044009333333	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+3H"	3.021828
"654611"	914.562376	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+3H"	3.021828
"1170550"	305.525642666667	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+3H"	3.021828
"438931"	1845.144023	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+NH4"	18.033823
"795912"	2758.699123	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+NH4"	18.033823
"1688961"	931.588923	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+NH4"	18.033823
"337239"	923.0756495	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+H+NH4"	19.041099
"727470"	1379.8531995	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+H+NH4"	19.041099
"1478375"	466.2980995	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H+NH4"	19.041099
"397783"	1850.099418	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+Na"	22.989218
"758780"	2763.654518	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+Na"	22.989218
"1609063"	936.544318	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Na"	22.989218
"320195"	925.553347	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+H+Na"	23.996494
"712618"	1382.330897	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+H+Na"	23.996494
"1469720"	468.775797	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H+Na"	23.996494
"1061872"	312.852956666667	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2H+Na"	25.00377
"1266830"	946.588586	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+CH3OH+H"	33.033486
"389779"	1866.073358	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+K"	38.963158
"749683"	2779.628458	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+K"	38.963158
"1551735"	952.518258	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+K"	38.963158
"306723"	933.540317	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+H+K"	39.970434
"698779"	1390.317867	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+H+K"	39.970434
"1448952"	476.762767	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H+K"	39.970434
"240470"	1869.144026	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+ACN+H"	42.033826
"1213180"	955.588926	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+ACN+H"	42.033826
"1195980"	478.298101	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+ACN+2H"	43.041102
"190188"	1872.08136	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+2Na-H"	44.97116
"633879"	2785.63646	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+2Na-H"	44.97116
"1137024"	958.52626	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2Na-H"	44.97116
"179221"	936.544318	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+2Na"	45.978436
"620240"	1393.321868	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+2Na"	45.978436
"1124110"	479.766768	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2Na"	45.978436
"1407272"	320.180270666667	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H+2Na"	46.985712
"1435015"	960.567846	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H+HCOOH"	47.012746
"229088"	941.57734	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+3H2O+2H"	56.04448
"1514964"	974.61989	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+IsoProp+H"	61.06479
"419024"	944.531288	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+Na+K"	61.952376
"776738"	1401.308838	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+Na+K"	61.952376
"1677444"	487.753738	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Na+K"	61.952376
"266031"	1891.125968	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+ACN+Na"	64.015768
"1238861"	977.570868	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+ACN+Na"	64.015768
"1722279"	977.594393	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+NH4+HCOOH"	64.039293
"1185445"	327.507584666667	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+3Na"	68.967654
"1651697"	982.549788	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Na+HCOOH"	68.994688
"163299"	1904.02924	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+2K-H"	76.91904
"603955"	2817.58434	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+2K-H"	76.91904
"1095762"	990.47414	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2K-H"	76.91904
"150754"	952.518258	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"2M+2K"	77.926316
"591410"	1409.295808	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"3M+2K"	77.926316
"1078111"	495.740708	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2K"	77.926316
"1111320"	992.488692	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2K+H"	78.933592
"1347706"	992.576307	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+DMSO+H"	79.021207
"1016236"	996.615476	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2ACN+H"	83.060376
"1538012"	997.609108	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+IsoProp+Na+H"	84.054008
"996434"	498.811376	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+2ACN+2H"	84.067652
"1596404"	998.523728	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+K+HCOOH"	84.968628
"1419876"	1028.555238	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+H+CF3COOH"	115.000138
"1154538"	519.324651	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+3ACN+2H"	125.094202
"1709556"	1045.581785	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+NH4+CF3COOH"	132.026685
"1649464"	1050.53718	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+Na+CF3COOH"	136.98208
"1581952"	1066.51112	"C07909"	"Sirolimus;Rapamycin"	"C51H79NO13"	"913.5551"	"M+K+CF3COOH"	152.95602
"803570"	258.0641	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M"	0
"976372"	239.04571	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-H2O-H"	-19.01839
"76287"	171.035457333333	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M-3H"	-3.021828
"511475"	257.056824	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M-3H"	-3.021828
"888181"	85.0140906666667	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-3H"	-3.021828
"6758"	257.056824	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M-2H"	-2.014552
"447416"	386.088874	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M-2H"	-2.014552
"831791"	128.024774	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-2H"	-2.014552
"92629"	515.120924	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M-H"	-1.007276
"531338"	773.185024	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M-H"	-1.007276
"902579"	257.056824	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-H"	-1.007276
"51849"	532.147471	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M-2H+NH4"	16.019271
"492503"	790.211571	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M-2H+NH4"	16.019271
"872126"	274.083371	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-2H+NH4"	16.019271
"38931"	537.102866	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M-2H+Na"	20.974666
"479585"	795.166966	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M-2H+Na"	20.974666
"857389"	279.038766	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-2H+Na"	20.974666
"1628018"	279.038766	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Na-2H"	20.974666
"103453"	275.045163	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M-H+Cl"	33.962126
"540827"	404.077213	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M-H+Cl"	33.962126
"930330"	146.013113	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-H+Cl"	33.962126
"276176"	551.097602	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+Cl"	34.969402
"668599"	809.161702	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+Cl"	34.969402
"1285375"	293.033502	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Cl"	34.969402
"27933"	553.076806	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M-2H+K"	36.948606
"468223"	811.140906	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M-2H+K"	36.948606
"843110"	295.012706	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-2H+K"	36.948606
"1562227"	295.012706	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+K-2H"	36.948606
"945731"	303.062294	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-H+HCOOH"	44.998194
"366135"	561.126401	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+HCOOH-H"	44.998201
"346492"	575.142051	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+Hac-H"	59.013851
"1493866"	317.077951	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Hac-H"	59.013851
"960191"	325.044251	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-H+NaCOOH"	66.980151
"111649"	293.033502	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+2Cl"	69.938804
"557043"	422.065552	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+2Cl"	69.938804
"1030217"	164.001452	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2Cl"	69.938804
"1245057"	336.982985	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Br"	78.918885
"1308236"	339.038972	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Cl+HCOOH"	80.974872
"1327555"	361.020929	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Cl+NaCOOH"	102.956829
"914238"	371.049686	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M-H+CF3COOH"	112.985586
"1299694"	407.026364	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Cl+CF3COOH"	148.962264
"1367649"	223.051424	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H-2H2O"	-35.012676
"1383120"	241.0614	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H-H2O"	-17.0027
"283376"	517.135476	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+H"	1.007276
"686371"	775.199576	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+H"	1.007276
"1360537"	259.071376	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H"	1.007276
"137802"	259.071376	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+2H"	2.014552
"577363"	388.103426	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+2H"	2.014552
"1043976"	130.039326	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2H"	2.014552
"215157"	173.050009333333	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+3H"	3.021828
"655815"	259.071376	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+3H"	3.021828
"1170660"	87.0286426666667	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+3H"	3.021828
"439284"	534.162023	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+NH4"	18.033823
"798209"	792.226123	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+NH4"	18.033823
"1690164"	276.097923	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+NH4"	18.033823
"337349"	267.5846495	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+H+NH4"	19.041099
"729767"	396.6166995	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+H+NH4"	19.041099
"1479578"	138.5525995	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H+NH4"	19.041099
"398987"	539.117418	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+Na"	22.989218
"758890"	797.181518	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+Na"	22.989218
"1608083"	281.053318	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Na"	22.989218
"319213"	270.062347	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+H+Na"	23.996494
"714916"	399.094397	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+H+Na"	23.996494
"1468737"	141.030297	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H+Na"	23.996494
"1060886"	94.3559566666667	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2H+Na"	25.00377
"1267669"	291.097586	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+CH3OH+H"	33.033486
"390253"	555.091358	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+K"	38.963158
"753436"	813.155458	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+K"	38.963158
"1548562"	297.027258	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+K"	38.963158
"306831"	278.049317	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+H+K"	39.970434
"699253"	407.081367	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+H+K"	39.970434
"1451978"	149.017267	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H+K"	39.970434
"240580"	558.162026	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+ACN+H"	42.033826
"1214383"	300.097926	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+ACN+H"	42.033826
"1197183"	150.552601	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+ACN+2H"	43.041102
"193337"	561.09936	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+2Na-H"	44.97116
"633989"	819.16346	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+2Na-H"	44.97116
"1137134"	303.03526	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2Na-H"	44.97116
"182247"	281.053318	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+2Na"	45.978436
"618527"	410.085368	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+2Na"	45.978436
"1124221"	152.021268	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2Na"	45.978436
"1407382"	101.683270666667	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H+2Na"	46.985712
"1434033"	305.076846	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H+HCOOH"	47.012746
"229199"	286.08634	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+3H2O+2H"	56.04448
"1512888"	319.12889	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+IsoProp+H"	61.06479
"418041"	289.040288	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+Na+K"	61.952376
"776849"	418.072338	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+Na+K"	61.952376
"1674275"	160.008238	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Na+K"	61.952376
"262982"	580.143968	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+ACN+Na"	64.015768
"1237878"	322.079868	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+ACN+Na"	64.015768
"1720202"	322.103393	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+NH4+HCOOH"	64.039293
"1184461"	109.010584666667	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+3Na"	68.967654
"1650139"	327.058788	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Na+HCOOH"	68.994688
"161952"	593.04724	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+2K-H"	76.91904
"601879"	851.11134	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+2K-H"	76.91904
"1092957"	334.98314	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2K-H"	76.91904
"149771"	297.027258	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"2M+2K"	77.926316
"590427"	426.059308	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"3M+2K"	77.926316
"1078221"	167.995208	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2K"	77.926316
"1111430"	336.997692	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2K+H"	78.933592
"1345629"	337.085307	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+DMSO+H"	79.021207
"1019626"	341.124476	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2ACN+H"	83.060376
"1538482"	342.118108	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+IsoProp+Na+H"	84.054008
"998731"	171.065876	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+2ACN+2H"	84.067652
"1595421"	343.032728	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+K+HCOOH"	84.968628
"1421079"	373.064238	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+H+CF3COOH"	115.000138
"1152460"	191.579151	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+3ACN+2H"	125.094202
"1709666"	390.090785	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+NH4+CF3COOH"	132.026685
"1649209"	395.04618	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+Na+CF3COOH"	136.98208
"1582062"	411.02012	"C07910"	"Thalidomide"	"C13H10N2O4"	"258.0641"	"M+K+CF3COOH"	152.95602
"801456"	151.0997	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M"	0
"974454"	132.08131	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"69836"	99.7258573333333	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"511585"	150.092424	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"882094"	49.3592906666667	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"422"	150.092424	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"455272"	225.642274	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"831902"	74.542574	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"93107"	301.192124	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"528168"	452.291824	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"902689"	150.092424	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"57064"	318.218671	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"498810"	469.318371	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"877704"	167.118971	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"44509"	323.174066	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"486018"	474.273766	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"862609"	172.074366	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1632868"	172.074366	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"107816"	168.080763	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"545311"	243.630613	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"932631"	92.530913	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"273373"	337.168802	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"674665"	488.268502	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1287556"	186.069102	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"31204"	339.148006	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"470641"	490.247706	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"846500"	188.048306	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1566710"	188.048306	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"949125"	196.097894	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"365154"	347.197601	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"346358"	361.213251	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1493973"	210.113551	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"960666"	218.079851	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"114310"	186.069102	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"552415"	261.618952	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1023400"	110.519252	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1243707"	230.018585	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1306154"	232.074572	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1326206"	254.056529	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"915807"	264.085286	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1291785"	300.061964	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1370312"	116.087024	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1383799"	134.097	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"287131"	303.206676	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"684294"	454.306376	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1366116"	152.106976	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"135724"	152.106976	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"575285"	227.656826	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1051012"	76.557126	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"219876"	101.740409333333	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"657748"	152.106976	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1175144"	51.3738426666667	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"439272"	320.233223	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"800142"	471.332923	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1696677"	169.133523	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"336366"	160.6202495	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"728787"	236.1700995	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1482607"	85.0703995	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"398007"	325.188618	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"763377"	476.288318	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1610381"	174.088918	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"318231"	163.097947	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"711747"	238.647797	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1464473"	87.548097	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1056624"	58.7011566666667	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1262675"	184.133186	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"384530"	341.162558	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"744432"	492.262258	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1545392"	190.062858	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"301108"	171.084917	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"693166"	246.634767	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1447349"	95.535067	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"237408"	344.233226	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1211575"	193.133526	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1196195"	97.070401	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"189228"	347.17056	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"631908"	498.27026	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1133598"	196.07086	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"176888"	174.088918	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"616814"	249.638768	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1117160"	98.539068	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1403479"	66.0284706666667	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1433780"	198.112446	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"223842"	179.12194	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1515185"	212.16449	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"415964"	182.075888	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"775137"	257.625738	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1674384"	106.526038	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"260905"	366.215168	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1236894"	215.115468	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1718125"	215.138993	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1182384"	73.3557846666667	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1651190"	220.094388	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"160238"	379.11844	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"597114"	530.21814	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1086133"	228.01874	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"147690"	190.062858	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"588347"	265.612708	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1078326"	114.513008	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1108255"	230.033292	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1342453"	230.120907	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1007093"	234.160076	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1539649"	235.153708	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"1004556"	117.583676	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1596624"	236.068328	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1420096"	266.099838	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1152570"	138.096951	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1708683"	283.126385	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1648711"	288.08178	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1582172"	304.05572	"C07911"	"Phenylpropanolamine;(-)-Phenylpropanolamine;(RS)-(-)-alpha-(1-Aminoethyl)benzenemethanol;(-)-Norephedrine"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"801616"	200.1313	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M"	0
"974417"	181.11291	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-H2O-H"	-19.01839
"64113"	132.413590666667	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M-3H"	-3.021828
"504038"	199.124024	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M-3H"	-3.021828
"881839"	65.7031573333333	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-3H"	-3.021828
"654"	199.124024	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M-2H"	-2.014552
"440333"	299.189674	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M-2H"	-2.014552
"817774"	99.058374	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-2H"	-2.014552
"79093"	399.255324	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M-H"	-1.007276
"528272"	599.386624	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M-H"	-1.007276
"903893"	199.124024	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-H"	-1.007276
"59362"	416.281871	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M-2H+NH4"	16.019271
"494547"	616.413171	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M-2H+NH4"	16.019271
"879032"	216.150571	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-2H+NH4"	16.019271
"41340"	421.237266	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M-2H+Na"	20.974666
"486127"	621.368566	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M-2H+Na"	20.974666
"862715"	221.105966	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-2H+Na"	20.974666
"1631520"	221.105966	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Na-2H"	20.974666
"98934"	217.112363	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M-H+Cl"	33.962126
"547488"	317.178013	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M-H+Cl"	33.962126
"934564"	117.046713	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-H+Cl"	33.962126
"273119"	435.232002	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+Cl"	34.969402
"675343"	635.363302	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+Cl"	34.969402
"1286688"	235.100702	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Cl"	34.969402
"31156"	437.211206	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M-2H+K"	36.948606
"470632"	637.342506	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M-2H+K"	36.948606
"846610"	237.079906	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-2H+K"	36.948606
"1566820"	237.079906	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+K-2H"	36.948606
"952515"	245.129494	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-H+HCOOH"	44.998194
"369638"	445.260801	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+HCOOH-H"	44.998201
"347082"	459.276451	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+Hac-H"	59.013851
"1494326"	259.145151	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Hac-H"	59.013851
"960047"	267.111451	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-H+NaCOOH"	66.980151
"111263"	235.100702	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+2Cl"	69.938804
"550943"	335.166352	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+2Cl"	69.938804
"1023270"	135.035052	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2Cl"	69.938804
"1243816"	279.050185	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Br"	78.918885
"1305901"	281.106172	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Cl+HCOOH"	80.974872
"1324495"	303.088129	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Cl+NaCOOH"	102.956829
"913729"	313.116886	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M-H+CF3COOH"	112.985586
"1292624"	349.093564	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Cl+CF3COOH"	148.962264
"1367868"	165.118624	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H-2H2O"	-35.012676
"1384271"	183.1286	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H-H2O"	-17.0027
"286876"	401.269876	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+H"	1.007276
"680029"	601.401176	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+H"	1.007276
"1358567"	201.138576	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H"	1.007276
"137657"	201.138576	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+2H"	2.014552
"578676"	301.204226	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+2H"	2.014552
"1050756"	101.072926	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2H"	2.014552
"217200"	134.428142666667	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+3H"	3.021828
"651661"	201.138576	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+3H"	3.021828
"1171973"	67.7177093333333	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+3H"	3.021828
"438162"	418.296423	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+NH4"	18.033823
"799523"	618.427723	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+NH4"	18.033823
"1689292"	218.165123	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+NH4"	18.033823
"335381"	209.6518495	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+H+NH4"	19.041099
"725616"	309.7174995	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+H+NH4"	19.041099
"1483811"	109.5861995	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H+NH4"	19.041099
"399210"	423.251818	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+Na"	22.989218
"760205"	623.383118	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+Na"	22.989218
"1606117"	223.120518	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Na"	22.989218
"317248"	212.129547	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+H+Na"	23.996494
"711857"	312.195197	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+H+Na"	23.996494
"1462761"	112.063897	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H+Na"	23.996494
"1054549"	75.0450233333333	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2H+Na"	25.00377
"1262785"	233.164786	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+CH3OH+H"	33.033486
"383547"	439.225758	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+K"	38.963158
"744542"	639.357058	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+K"	38.963158
"1545502"	239.094458	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+K"	38.963158
"300491"	220.116517	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+H+K"	39.970434
"692305"	320.182167	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+H+K"	39.970434
"1448918"	120.050867	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H+K"	39.970434
"236421"	442.296426	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+ACN+H"	42.033826
"1210106"	242.165126	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+ACN+H"	42.033826
"1196427"	121.586201	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+ACN+2H"	43.041102
"190508"	445.23376	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+2Na-H"	44.97116
"628970"	645.36506	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+2Na-H"	44.97116
"1136623"	245.10246	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2Na-H"	44.97116
"177728"	223.120518	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+2Na"	45.978436
"618747"	323.186168	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+2Na"	45.978436
"1119699"	123.054868	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2Na"	45.978436
"1403589"	82.3723373333333	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H+2Na"	46.985712
"1434249"	247.144046	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H+HCOOH"	47.012746
"227232"	228.15354	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+3H2O+2H"	56.04448
"1515295"	261.19609	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+IsoProp+H"	61.06479
"417167"	231.107488	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+Na+K"	61.952376
"778163"	331.173138	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+Na+K"	61.952376
"1674494"	131.041838	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Na+K"	61.952376
"261014"	464.278368	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+ACN+Na"	64.015768
"1235909"	264.147068	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+ACN+Na"	64.015768
"1724796"	264.170593	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+NH4+HCOOH"	64.039293
"1183588"	89.6996513333333	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+3Na"	68.967654
"1651300"	269.125988	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Na+HCOOH"	68.994688
"160348"	477.18164	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+2K-H"	76.91904
"597176"	677.31294	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+2K-H"	76.91904
"1085515"	277.05034	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2K-H"	76.91904
"142331"	239.094458	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"2M+2K"	77.926316
"588457"	339.160108	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"3M+2K"	77.926316
"1074063"	139.028808	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2K"	77.926316
"1106179"	279.064892	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2K+H"	78.933592
"1340376"	279.152507	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+DMSO+H"	79.021207
"1006229"	283.191676	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2ACN+H"	83.060376
"1538461"	284.185308	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+IsoProp+Na+H"	84.054008
"1004786"	142.099476	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+2ACN+2H"	84.067652
"1595641"	285.099928	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+K+HCOOH"	84.968628
"1419112"	315.131438	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+H+CF3COOH"	115.000138
"1152680"	162.612751	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+3ACN+2H"	125.094202
"1708793"	332.157985	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+NH4+CF3COOH"	132.026685
"1648821"	337.11338	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+Na+CF3COOH"	136.98208
"1582282"	353.08732	"C07912"	"Tetrahydrozoline;Tetryzoline;2-Tetralin-1-yl-45-dihydro-1H-imidazole"	"C13H16N2"	"200.1313"	"M+K+CF3COOH"	152.95602
"809368"	244.1939	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M"	0
"979620"	225.17551	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-H2O-H"	-19.01839
"66775"	161.788657333333	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M-3H"	-3.021828
"504148"	243.186624	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M-3H"	-3.021828
"880650"	80.3906906666667	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-3H"	-3.021828
"1125"	243.186624	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M-2H"	-2.014552
"441178"	365.283574	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M-2H"	-2.014552
"817884"	121.089674	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-2H"	-2.014552
"79821"	487.380524	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M-H"	-1.007276
"527288"	731.574424	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M-H"	-1.007276
"911184"	243.186624	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-H"	-1.007276
"59472"	504.407071	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M-2H+NH4"	16.019271
"502609"	748.600971	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M-2H+NH4"	16.019271
"879268"	260.213171	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-2H+NH4"	16.019271
"46556"	509.362466	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M-2H+Na"	20.974666
"486563"	753.556366	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M-2H+Na"	20.974666
"864042"	265.168566	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-2H+Na"	20.974666
"1633696"	265.168566	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Na-2H"	20.974666
"103782"	261.174963	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M-H+Cl"	33.962126
"549794"	383.271913	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M-H+Cl"	33.962126
"935767"	139.078013	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-H+Cl"	33.962126
"274322"	523.357202	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+Cl"	34.969402
"671118"	767.551102	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+Cl"	34.969402
"1285709"	279.163302	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Cl"	34.969402
"30655"	525.336406	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M-2H+K"	36.948606
"469283"	769.530306	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M-2H+K"	36.948606
"845264"	281.142506	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-2H+K"	36.948606
"1566930"	281.142506	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+K-2H"	36.948606
"953719"	289.192094	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-H+HCOOH"	44.998194
"371936"	533.386001	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+HCOOH-H"	44.998201
"356912"	547.401651	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+Hac-H"	59.013851
"1493836"	303.207751	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Hac-H"	59.013851
"959797"	311.174051	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-H+NaCOOH"	66.980151
"110641"	279.163302	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+2Cl"	69.938804
"551297"	401.260252	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+2Cl"	69.938804
"1030550"	157.066352	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2Cl"	69.938804
"1243197"	323.112785	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Br"	78.918885
"1308205"	325.168772	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Cl+HCOOH"	80.974872
"1333353"	347.150729	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Cl+NaCOOH"	102.956829
"916758"	357.179486	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M-H+CF3COOH"	112.985586
"1292736"	393.156164	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Cl+CF3COOH"	148.962264
"1373814"	209.181224	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H-2H2O"	-35.012676
"1390217"	227.1912	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H-H2O"	-17.0027
"296101"	489.395076	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+H"	1.007276
"683420"	733.588976	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+H"	1.007276
"1358677"	245.201176	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H"	1.007276
"138131"	245.201176	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+2H"	2.014552
"580973"	367.298126	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+2H"	2.014552
"1051595"	123.104226	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2H"	2.014552
"219133"	163.803209333333	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+3H"	3.021828
"657239"	245.201176	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+3H"	3.021828
"1172084"	82.4052426666667	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+3H"	3.021828
"437179"	506.421623	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+NH4"	18.033823
"799271"	750.615523	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+NH4"	18.033823
"1695600"	262.227723	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+NH4"	18.033823
"339867"	253.7144495	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+H+NH4"	19.041099
"732287"	375.8113995	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+H+NH4"	19.041099
"1483921"	131.6174995	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H+NH4"	19.041099
"403694"	511.377018	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+Na"	22.989218
"763596"	755.570918	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+Na"	22.989218
"1613883"	267.183118	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Na"	22.989218
"325013"	256.192147	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+H+Na"	23.996494
"715247"	378.289097	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+H+Na"	23.996494
"1466879"	134.095197	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H+Na"	23.996494
"1059031"	89.7325566666667	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2H+Na"	25.00377
"1262896"	277.227386	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+CH3OH+H"	33.033486
"383659"	527.350958	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+K"	38.963158
"745749"	771.544858	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+K"	38.963158
"1545614"	283.157058	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+K"	38.963158
"304975"	264.179117	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+H+K"	39.970434
"696302"	386.276067	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+H+K"	39.970434
"1445870"	142.082167	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H+K"	39.970434
"239090"	530.421626	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+ACN+H"	42.033826
"1212527"	286.227726	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+ACN+H"	42.033826
"1198604"	143.617501	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+ACN+2H"	43.041102
"191475"	533.35896	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+2Na-H"	44.97116
"633222"	777.55286	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+2Na-H"	44.97116
"1137829"	289.16506	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2Na-H"	44.97116
"176381"	267.183118	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+2Na"	45.978436
"616305"	389.280068	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+2Na"	45.978436
"1119815"	145.086168	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2Na"	45.978436
"1406619"	97.0598706666667	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H+2Na"	46.985712
"1435456"	291.206646	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H+HCOOH"	47.012746
"223696"	272.21614	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+3H2O+2H"	56.04448
"1510057"	305.25869	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+IsoProp+H"	61.06479
"413997"	275.170088	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+Na+K"	61.952376
"776086"	397.267038	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+Na+K"	61.952376
"1678617"	153.073138	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Na+K"	61.952376
"263312"	552.403568	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+ACN+Na"	64.015768
"1238208"	308.209668	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+ACN+Na"	64.015768
"1720532"	308.233193	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+NH4+HCOOH"	64.039293
"1188074"	104.387184666667	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+3Na"	68.967654
"1651410"	313.188588	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Na+HCOOH"	68.994688
"159729"	565.30684	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+2K-H"	76.91904
"597583"	809.50074	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+2K-H"	76.91904
"1085737"	321.11294	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2K-H"	76.91904
"142926"	283.157058	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"2M+2K"	77.926316
"588567"	405.254008	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"3M+2K"	77.926316
"1075268"	161.060108	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2K"	77.926316
"1105196"	323.127492	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2K+H"	78.933592
"1340485"	323.215107	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+DMSO+H"	79.021207
"1007310"	327.254276	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2ACN+H"	83.060376
"1527140"	328.247908	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+IsoProp+Na+H"	84.054008
"995776"	164.130776	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+2ACN+2H"	84.067652
"1599030"	329.162528	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+K+HCOOH"	84.968628
"1422500"	359.194038	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+H+CF3COOH"	115.000138
"1158256"	184.644051	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+3ACN+2H"	125.094202
"1700152"	376.220585	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+NH4+CF3COOH"	132.026685
"1649784"	381.17598	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+Na+CF3COOH"	136.98208
"1582392"	397.14992	"C07913"	"Xylometazoline"	"C16H24N2"	"244.1939"	"M+K+CF3COOH"	152.95602
"809478"	291.1834	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M"	0
"977907"	272.16501	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H2O-H"	-19.01839
"66883"	193.114990666667	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-3H"	-3.021828
"503525"	290.176124	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-3H"	-3.021828
"881324"	96.0538573333333	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-3H"	-3.021828
"1479"	290.176124	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H"	-2.014552
"441288"	435.767824	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H"	-2.014552
"819454"	144.584424	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H"	-2.014552
"78583"	581.359524	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-H"	-1.007276
"527398"	872.542924	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-H"	-1.007276
"910433"	290.176124	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H"	-1.007276
"56300"	598.386071	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H+NH4"	16.019271
"499142"	889.569471	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H+NH4"	16.019271
"871476"	307.202671	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H+NH4"	16.019271
"46755"	603.341466	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H+Na"	20.974666
"483309"	894.524866	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H+Na"	20.974666
"857832"	312.158066	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H+Na"	20.974666
"1625179"	312.158066	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na-2H"	20.974666
"98790"	308.164463	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-H+Cl"	33.962126
"542361"	453.756163	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-H+Cl"	33.962126
"929677"	162.572763	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+Cl"	33.962126
"274431"	617.336202	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Cl"	34.969402
"666852"	908.519602	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+Cl"	34.969402
"1283628"	326.152802	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl"	34.969402
"27278"	619.315406	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M-2H+K"	36.948606
"465745"	910.498806	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M-2H+K"	36.948606
"845737"	328.132006	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-2H+K"	36.948606
"1568132"	328.132006	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K-2H"	36.948606
"956747"	336.181594	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+HCOOH"	44.998194
"375326"	627.365001	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+HCOOH-H"	44.998201
"358114"	641.380651	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Hac-H"	59.013851
"1497107"	350.197251	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Hac-H"	59.013851
"958934"	358.163551	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+NaCOOH"	66.980151
"111482"	326.152802	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2Cl"	69.938804
"551407"	471.744502	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2Cl"	69.938804
"1022278"	180.561102	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2Cl"	69.938804
"1242218"	370.102285	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Br"	78.918885
"1304231"	372.158272	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl+HCOOH"	80.974872
"1324716"	394.140229	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl+NaCOOH"	102.956829
"916868"	404.168986	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M-H+CF3COOH"	112.985586
"1292482"	440.145664	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Cl+CF3COOH"	148.962264
"1370644"	256.170724	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H-2H2O"	-35.012676
"1390327"	274.1807	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H-H2O"	-17.0027
"294388"	583.374076	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H"	1.007276
"681343"	874.557476	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H"	1.007276
"1358787"	292.190676	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H"	1.007276
"134960"	292.190676	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2H"	2.014552
"578896"	437.782376	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2H"	2.014552
"1051341"	146.598976	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2H"	2.014552
"218513"	195.129542666667	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+3H"	3.021828
"651876"	292.190676	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+3H"	3.021828
"1171097"	98.0684093333333	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+3H"	3.021828
"429993"	600.400623	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+NH4"	18.033823
"799378"	891.584023	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+NH4"	18.033823
"1692795"	309.217223	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+NH4"	18.033823
"341071"	300.7039495	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H+NH4"	19.041099
"731305"	446.2956495	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H+NH4"	19.041099
"1487312"	155.1122495	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+NH4"	19.041099
"404898"	605.356018	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Na"	22.989218
"765895"	896.539418	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+Na"	22.989218
"1612900"	314.172618	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na"	22.989218
"325124"	303.181647	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H+Na"	23.996494
"716451"	448.773347	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H+Na"	23.996494
"1465530"	157.589947	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+Na"	23.996494
"1057681"	105.395723333333	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2H+Na"	25.00377
"1260819"	324.216886	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+CH3OH+H"	33.033486
"380490"	621.329958	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+K"	38.963158
"743672"	912.513358	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+K"	38.963158
"1544629"	330.146558	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K"	38.963158
"302898"	311.168617	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+H+K"	39.970434
"692405"	456.760317	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+H+K"	39.970434
"1448411"	165.576917	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+K"	39.970434
"236650"	624.400626	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+ACN+H"	42.033826
"1210935"	333.217226	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+ACN+H"	42.033826
"1196890"	167.112251	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+ACN+2H"	43.041102
"189154"	627.33796	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2Na-H"	44.97116
"631510"	918.52136	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2Na-H"	44.97116
"1136844"	336.15456	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2Na-H"	44.97116
"176490"	314.172618	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2Na"	45.978436
"616050"	459.764318	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2Na"	45.978436
"1119925"	168.580918	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2Na"	45.978436
"1410009"	112.723037333333	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+2Na"	46.985712
"1437752"	338.196146	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+HCOOH"	47.012746
"224172"	319.20564	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+3H2O+2H"	56.04448
"1514421"	352.24819	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+IsoProp+H"	61.06479
"413015"	322.159588	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+Na+K"	61.952376
"779478"	467.751288	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+Na+K"	61.952376
"1681034"	176.567888	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na+K"	61.952376
"263422"	646.382568	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+ACN+Na"	64.015768
"1240751"	355.199168	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+ACN+Na"	64.015768
"1722829"	355.222693	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+NH4+HCOOH"	64.039293
"1190370"	120.050351333333	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+3Na"	68.967654
"1655896"	360.178088	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na+HCOOH"	68.994688
"160568"	659.28584	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2K-H"	76.91904
"599148"	950.46924	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2K-H"	76.91904
"1086458"	368.10244	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2K-H"	76.91904
"142186"	330.146558	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"2M+2K"	77.926316
"588680"	475.738258	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"3M+2K"	77.926316
"1076471"	184.554858	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2K"	77.926316
"1106399"	370.116992	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2K+H"	78.933592
"1340595"	370.204607	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+DMSO+H"	79.021207
"1008029"	374.243776	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2ACN+H"	83.060376
"1527250"	375.237408	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+IsoProp+Na+H"	84.054008
"996979"	187.625526	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+2ACN+2H"	84.067652
"1598047"	376.152028	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K+HCOOH"	84.968628
"1422610"	406.183538	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+H+CF3COOH"	115.000138
"1158366"	208.138801	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+3ACN+2H"	125.094202
"1701355"	423.210085	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+NH4+CF3COOH"	132.026685
"1649609"	428.16548	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+Na+CF3COOH"	136.98208
"1582502"	444.13942	"C07914"	"Levobunolol;(-)-Bunolol"	"C17H25NO3"	"291.1834"	"M+K+CF3COOH"	152.95602
"809588"	309.194	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M"	0
"977653"	290.17561	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-H2O-H"	-19.01839
"62906"	205.122057333333	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M-3H"	-3.021828
"503634"	308.186724	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M-3H"	-3.021828
"880000"	102.057390666667	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-3H"	-3.021828
"373"	308.186724	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M-2H"	-2.014552
"440041"	462.783724	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M-2H"	-2.014552
"817142"	153.589724	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-2H"	-2.014552
"78723"	617.380724	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M-H"	-1.007276
"526415"	926.574724	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M-H"	-1.007276
"908598"	308.186724	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-H"	-1.007276
"56411"	634.407271	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M-2H+NH4"	16.019271
"497065"	943.601271	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M-2H+NH4"	16.019271
"869034"	325.213271	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-2H+NH4"	16.019271
"37664"	639.362666	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M-2H+Na"	20.974666
"482327"	948.556666	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M-2H+Na"	20.974666
"860128"	330.168666	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-2H+Na"	20.974666
"1622737"	330.168666	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Na-2H"	20.974666
"102912"	326.175063	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M-H+Cl"	33.962126
"542471"	480.772063	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M-H+Cl"	33.962126
"927235"	171.578063	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-H+Cl"	33.962126
"276727"	653.357402	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+Cl"	34.969402
"666962"	962.551402	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+Cl"	34.969402
"1283738"	344.163402	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Cl"	34.969402
"27388"	655.336606	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M-2H+K"	36.948606
"464762"	964.530606	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M-2H+K"	36.948606
"844754"	346.142606	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-2H+K"	36.948606
"1568242"	346.142606	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+K-2H"	36.948606
"956127"	354.192194	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-H+HCOOH"	44.998194
"373250"	663.386201	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+HCOOH-H"	44.998201
"357131"	677.401851	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+Hac-H"	59.013851
"1497217"	368.207851	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Hac-H"	59.013851
"959287"	376.174151	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-H+NaCOOH"	66.980151
"111107"	344.163402	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+2Cl"	69.938804
"550301"	498.760402	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+2Cl"	69.938804
"1022386"	189.566402	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2Cl"	69.938804
"1241517"	388.112885	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Br"	78.918885
"1304530"	390.168872	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Cl+HCOOH"	80.974872
"1328106"	412.150829	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Cl+NaCOOH"	102.956829
"920258"	422.179586	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M-H+CF3COOH"	112.985586
"1292592"	458.156264	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Cl+CF3COOH"	148.962264
"1372940"	274.181324	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H-2H2O"	-35.012676
"1387157"	292.1913	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H-H2O"	-17.0027
"291218"	619.395276	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+H"	1.007276
"681453"	928.589276	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+H"	1.007276
"1354522"	310.201276	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H"	1.007276
"129598"	310.201276	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+2H"	2.014552
"576817"	464.798276	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+2H"	2.014552
"1050721"	155.604276	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2H"	2.014552
"218259"	207.136609333333	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+3H"	3.021828
"649799"	310.201276	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+3H"	3.021828
"1172298"	104.071942666667	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+3H"	3.021828
"430103"	636.421823	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+NH4"	18.033823
"795475"	945.615823	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+NH4"	18.033823
"1689618"	327.227823	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+NH4"	18.033823
"340086"	318.7145495	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+H+NH4"	19.041099
"731415"	473.3115495	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+H+NH4"	19.041099
"1484140"	164.1175495	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H+NH4"	19.041099
"401728"	641.377218	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+Na"	22.989218
"764912"	950.571218	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+Na"	22.989218
"1611917"	332.183218	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Na"	22.989218
"321955"	321.192247	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+H+Na"	23.996494
"713282"	475.789247	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+H+Na"	23.996494
"1462725"	166.595247	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H+Na"	23.996494
"1054146"	111.399256666667	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2H+Na"	25.00377
"1259108"	342.227486	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+CH3OH+H"	33.033486
"378290"	657.351158	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+K"	38.963158
"740502"	966.545158	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+K"	38.963158
"1542553"	348.157158	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+K"	38.963158
"300093"	329.179217	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+H+K"	39.970434
"691825"	483.776217	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+H+K"	39.970434
"1446332"	174.582217	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H+K"	39.970434
"236393"	660.421826	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+ACN+H"	42.033826
"1210923"	351.227826	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+ACN+H"	42.033826
"1194486"	176.117551	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+ACN+2H"	43.041102
"189264"	663.35916	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+2Na-H"	44.97116
"629919"	972.55316	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+2Na-H"	44.97116
"1134768"	354.16516	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2Na-H"	44.97116
"175507"	332.183218	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+2Na"	45.978436
"614338"	486.780218	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+2Na"	45.978436
"1120035"	177.586218	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2Na"	45.978436
"1409026"	118.726570666667	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H+2Na"	46.985712
"1437861"	356.206746	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H+HCOOH"	47.012746
"226467"	337.21624	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+3H2O+2H"	56.04448
"1515625"	370.25879	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+IsoProp+H"	61.06479
"413125"	340.170188	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+Na+K"	61.952376
"776308"	494.767188	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+Na+K"	61.952376
"1678106"	185.573188	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Na+K"	61.952376
"262438"	682.403768	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+ACN+Na"	64.015768
"1238793"	373.209768	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+ACN+Na"	64.015768
"1720752"	373.233293	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+NH4+HCOOH"	64.039293
"1190480"	126.053884666667	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+3Na"	68.967654
"1656005"	378.188688	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Na+HCOOH"	68.994688
"157349"	695.30704	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+2K-H"	76.91904
"597355"	1004.50104	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+2K-H"	76.91904
"1084863"	386.11304	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2K-H"	76.91904
"141932"	348.157158	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"2M+2K"	77.926316
"586601"	502.754158	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"3M+2K"	77.926316
"1075488"	193.560158	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2K"	77.926316
"1107602"	388.127592	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2K+H"	78.933592
"1337666"	388.215207	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+DMSO+H"	79.021207
"1005635"	392.254376	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2ACN+H"	83.060376
"1527360"	393.248008	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+IsoProp+Na+H"	84.054008
"997089"	196.630826	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+2ACN+2H"	84.067652
"1598157"	394.162628	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+K+HCOOH"	84.968628
"1422720"	424.194138	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+H+CF3COOH"	115.000138
"1159569"	217.144101	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+3ACN+2H"	125.094202
"1700372"	441.220685	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+NH4+CF3COOH"	132.026685
"1649396"	446.17608	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+Na+CF3COOH"	136.98208
"1582612"	462.15002	"C07915"	"Metipranolol"	"C17H27NO4"	"309.194"	"M+K+CF3COOH"	152.95602
"806418"	652.3512	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M"	0
"978856"	633.33281	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-H2O-H"	-19.01839
"64185"	433.893524	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M-3H"	-3.021828
"503740"	651.343924	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M-3H"	-3.021828
"880451"	216.443124	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-3H"	-3.021828
"1578"	651.343924	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M-2H"	-2.014552
"440127"	977.519524	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M-2H"	-2.014552
"817105"	325.168324	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-2H"	-2.014552
"79293"	1303.695124	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M-H"	-1.007276
"527618"	1956.046324	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M-H"	-1.007276
"905428"	651.343924	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-H"	-1.007276
"59802"	1320.721671	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M-2H+NH4"	16.019271
"494989"	1973.072871	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M-2H+NH4"	16.019271
"871697"	668.370471	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-2H+NH4"	16.019271
"42876"	1325.677066	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M-2H+Na"	20.974666
"482437"	1978.028266	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M-2H+Na"	20.974666
"856958"	673.325866	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-2H+Na"	20.974666
"1625399"	673.325866	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Na-2H"	20.974666
"105207"	669.332263	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M-H+Cl"	33.962126
"539301"	995.507863	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M-H+Cl"	33.962126
"930628"	343.156663	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-H+Cl"	33.962126
"273557"	1339.671802	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+Cl"	34.969402
"668165"	1992.023002	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+Cl"	34.969402
"1282754"	687.320602	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Cl"	34.969402
"23124"	1341.651006	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M-2H+K"	36.948606
"463779"	1994.002206	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M-2H+K"	36.948606
"841582"	689.299806	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-2H+K"	36.948606
"1565070"	689.299806	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+K-2H"	36.948606
"955141"	697.349394	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-H+HCOOH"	44.998194
"372263"	1349.700601	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+HCOOH-H"	44.998201
"357239"	1363.716251	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+Hac-H"	59.013851
"1502795"	711.365051	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Hac-H"	59.013851
"959765"	719.331351	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-H+NaCOOH"	66.980151
"111222"	687.320602	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+2Cl"	69.938804
"552240"	1013.496202	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+2Cl"	69.938804
"1024319"	361.145002	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2Cl"	69.938804
"1244990"	731.270085	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Br"	78.918885
"1306708"	733.326072	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Cl+HCOOH"	80.974872
"1330403"	755.308029	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Cl+NaCOOH"	102.956829
"914536"	765.336786	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M-H+CF3COOH"	112.985586
"1294888"	801.313464	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Cl+CF3COOH"	148.962264
"1373049"	617.338524	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H-2H2O"	-35.012676
"1387630"	635.3485	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H-H2O"	-17.0027
"288048"	1305.709676	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+H"	1.007276
"681562"	1958.060876	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+H"	1.007276
"1356819"	653.358476	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H"	1.007276
"130801"	653.358476	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+2H"	2.014552
"580941"	979.534076	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+2H"	2.014552
"1052576"	327.182876	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2H"	2.014552
"219097"	435.908076	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+3H"	3.021828
"653189"	653.358476	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+3H"	3.021828
"1172408"	218.457676	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+3H"	3.021828
"433494"	1322.736223	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+NH4"	18.033823
"796677"	1975.087423	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+NH4"	18.033823
"1689728"	670.385023	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+NH4"	18.033823
"341289"	661.8717495	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+H+NH4"	19.041099
"734804"	988.0473495	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+H+NH4"	19.041099
"1483520"	335.6961495	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H+NH4"	19.041099
"399646"	1327.691618	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+Na"	22.989218
"765022"	1980.042818	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+Na"	22.989218
"1610934"	675.340418	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Na"	22.989218
"323158"	664.349447	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+H+Na"	23.996494
"716672"	990.525047	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+H+Na"	23.996494
"1463199"	338.173847	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H+Na"	23.996494
"1054623"	225.78499	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2H+Na"	25.00377
"1258485"	685.384686	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+CH3OH+H"	33.033486
"378887"	1343.665558	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+K"	38.963158
"741705"	1996.016758	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+K"	38.963158
"1542665"	691.314358	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+K"	38.963158
"300569"	672.336417	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+H+K"	39.970434
"692384"	998.512017	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+H+K"	39.970434
"1445836"	346.160817	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H+K"	39.970434
"236873"	1346.736226	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+ACN+H"	42.033826
"1210548"	694.385026	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+ACN+H"	42.033826
"1194352"	347.696151	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+ACN+2H"	43.041102
"189370"	1349.67356	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+2Na-H"	44.97116
"630273"	2002.02476	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+2Na-H"	44.97116
"1133419"	697.32236	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2Na-H"	44.97116
"175617"	675.340418	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+2Na"	45.978436
"616634"	1001.516018	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+2Na"	45.978436
"1121238"	349.164818	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2Na"	45.978436
"1408043"	233.112304	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H+2Na"	46.985712
"1435784"	699.363946	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H+HCOOH"	47.012746
"230949"	680.37344	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+3H2O+2H"	56.04448
"1515731"	713.41599	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+IsoProp+H"	61.06479
"414328"	683.327388	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+Na+K"	61.952376
"778605"	1009.502988	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+Na+K"	61.952376
"1673844"	357.151788	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Na+K"	61.952376
"260363"	1368.718168	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+ACN+Na"	64.015768
"1232345"	716.366968	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+ACN+Na"	64.015768
"1720862"	716.390493	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+NH4+HCOOH"	64.039293
"1187310"	240.439618	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+3Na"	68.967654
"1653200"	721.345888	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Na+HCOOH"	68.994688
"157379"	1381.62144	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+2K-H"	76.91904
"597343"	2033.97264	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+2K-H"	76.91904
"1084769"	729.27024	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2K-H"	76.91904
"141749"	691.314358	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"2M+2K"	77.926316
"583432"	1017.489958	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"3M+2K"	77.926316
"1074505"	365.138758	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2K"	77.926316
"1105526"	731.284792	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2K+H"	78.933592
"1337534"	731.372407	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+DMSO+H"	79.021207
"1005686"	735.411576	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2ACN+H"	83.060376
"1527470"	736.405208	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+IsoProp+Na+H"	84.054008
"993920"	368.209426	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+2ACN+2H"	84.067652
"1592797"	737.319828	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+K+HCOOH"	84.968628
"1422830"	767.351338	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+H+CF3COOH"	115.000138
"1150931"	388.722701	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+3ACN+2H"	125.094202
"1698294"	784.377885	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+NH4+CF3COOH"	132.026685
"1649261"	789.33328	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+Na+CF3COOH"	136.98208
"1582722"	805.30722	"C07919"	"Metocurine"	"C40H48N2O6"	"652.3512"	"M+K+CF3COOH"	152.95602
"806528"	195.0895	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M"	0
"977873"	176.07111	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-H2O-H"	-19.01839
"65388"	129.052390666667	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M-3H"	-3.021828
"505675"	194.082224	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M-3H"	-3.021828
"883478"	64.0225573333333	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-3H"	-3.021828
"4238"	194.082224	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M-2H"	-2.014552
"442706"	291.626974	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M-2H"	-2.014552
"818682"	96.537474	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-2H"	-2.014552
"79076"	389.171724	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M-H"	-1.007276
"527728"	584.261224	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M-H"	-1.007276
"906631"	194.082224	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-H"	-1.007276
"56631"	406.198271	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M-2H+NH4"	16.019271
"499472"	601.287771	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M-2H+NH4"	16.019271
"877154"	211.108771	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-2H+NH4"	16.019271
"41893"	411.153666	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M-2H+Na"	20.974666
"481454"	606.243166	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M-2H+Na"	20.974666
"853788"	216.064166	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-2H+Na"	20.974666
"1625509"	216.064166	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Na-2H"	20.974666
"102037"	212.070563	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M-H+Cl"	33.962126
"536131"	309.615313	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M-H+Cl"	33.962126
"932924"	114.525813	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-H+Cl"	33.962126
"273667"	425.148402	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+Cl"	34.969402
"666089"	620.237902	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+Cl"	34.969402
"1281771"	230.058902	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Cl"	34.969402
"23234"	427.127606	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M-2H+K"	36.948606
"462796"	622.217106	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M-2H+K"	36.948606
"843878"	232.038106	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-2H+K"	36.948606
"1565180"	232.038106	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+K-2H"	36.948606
"954158"	240.087694	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-H+HCOOH"	44.998194
"372373"	435.177201	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+HCOOH-H"	44.998201
"359538"	449.192851	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+Hac-H"	59.013851
"1503997"	254.103351	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Hac-H"	59.013851
"960605"	262.069651	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-H+NaCOOH"	66.980151
"111333"	230.058902	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+2Cl"	69.938804
"551258"	327.603652	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+2Cl"	69.938804
"1027711"	132.514152	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2Cl"	69.938804
"1248383"	274.008385	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Br"	78.918885
"1311925"	276.064372	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Cl+HCOOH"	80.974872
"1331606"	298.046329	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Cl+NaCOOH"	102.956829
"917562"	308.075086	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M-H+CF3COOH"	112.985586
"1292082"	344.051764	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Cl+CF3COOH"	148.962264
"1368785"	160.076824	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H-2H2O"	-35.012676
"1384460"	178.0868	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H-H2O"	-17.0027
"288158"	391.186276	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+H"	1.007276
"679485"	586.275776	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+H"	1.007276
"1359115"	196.096776	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H"	1.007276
"130911"	196.096776	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+2H"	2.014552
"581309"	293.641526	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+2H"	2.014552
"1052400"	98.552026	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2H"	2.014552
"218485"	131.066942666667	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+3H"	3.021828
"654392"	196.096776	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+3H"	3.021828
"1172518"	66.0371093333333	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+3H"	3.021828
"433604"	408.212823	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+NH4"	18.033823
"796788"	603.302323	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+NH4"	18.033823
"1693118"	213.123323	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+NH4"	18.033823
"342857"	204.6100495	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+H+NH4"	19.041099
"737830"	302.1547995	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+H+NH4"	19.041099
"1484359"	107.0652995	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H+NH4"	19.041099
"403036"	413.168218	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+Na"	22.989218
"766223"	608.257718	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+Na"	22.989218
"1612137"	218.078718	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Na"	22.989218
"323267"	207.087747	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+H+Na"	23.996494
"715688"	304.632497	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+H+Na"	23.996494
"1463310"	109.542997	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H+Na"	23.996494
"1055098"	73.3644233333333	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2H+Na"	25.00377
"1258235"	228.122986	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+CH3OH+H"	33.033486
"379361"	429.142158	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+K"	38.963158
"741085"	624.231658	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+K"	38.963158
"1543869"	234.052658	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+K"	38.963158
"299466"	215.074717	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+H+K"	39.970434
"692127"	312.619467	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+H+K"	39.970434
"1448375"	117.529967	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H+K"	39.970434
"235760"	432.212826	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+ACN+H"	42.033826
"1211879"	237.123326	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+ACN+H"	42.033826
"1196493"	119.065301	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+ACN+2H"	43.041102
"191189"	435.15016	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+2Na-H"	44.97116
"631114"	630.23966	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+2Na-H"	44.97116
"1133893"	240.06066	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2Na-H"	44.97116
"177188"	218.078718	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+2Na"	45.978436
"614921"	315.623468	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+2Na"	45.978436
"1123535"	120.533968	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2Na"	45.978436
"1407060"	80.6917373333333	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H+2Na"	46.985712
"1442457"	242.102246	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H+HCOOH"	47.012746
"226688"	223.11174	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+3H2O+2H"	56.04448
"1515845"	256.15429	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+H"	61.06479
"417720"	226.065688	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+Na+K"	61.952376
"778716"	323.610438	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+Na+K"	61.952376
"1676141"	128.520938	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Na+K"	61.952376
"256100"	454.194768	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+ACN+Na"	64.015768
"1235004"	259.105268	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+ACN+Na"	64.015768
"1723892"	259.128793	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+NH4+HCOOH"	64.039293
"1180130"	88.0190513333333	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+3Na"	68.967654
"1655132"	264.084188	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Na+HCOOH"	68.994688
"157531"	467.09804	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+2K-H"	76.91904
"598147"	662.18754	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+2K-H"	76.91904
"1085086"	272.00854	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2K-H"	76.91904
"142144"	234.052658	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"2M+2K"	77.926316
"584635"	331.597408	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"3M+2K"	77.926316
"1075708"	136.507908	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2K"	77.926316
"1107824"	274.023092	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2K+H"	78.933592
"1339832"	274.110707	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+DMSO+H"	79.021207
"1007268"	278.149876	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2ACN+H"	83.060376
"1529769"	279.143508	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+Na+H"	84.054008
"998404"	139.578576	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+2ACN+2H"	84.067652
"1594000"	280.058128	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+K+HCOOH"	84.968628
"1426951"	310.089638	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+H+CF3COOH"	115.000138
"1153228"	160.091851	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+3ACN+2H"	125.094202
"1707153"	327.116185	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+NH4+CF3COOH"	132.026685
"1638430"	332.07158	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+Na+CF3COOH"	136.98208
"1582832"	348.04552	"C07921"	"Metyrosine;Metirosine"	"C10H13NO3"	"195.0895"	"M+K+CF3COOH"	152.95602
"809918"	260.1736	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M"	0
"977254"	241.15521	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-H2O-H"	-19.01839
"64404"	172.441790666667	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M-3H"	-3.021828
"503840"	259.166324	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M-3H"	-3.021828
"881766"	85.7172573333333	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-3H"	-3.021828
"3255"	259.166324	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M-2H"	-2.014552
"440751"	389.253124	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M-2H"	-2.014552
"817699"	129.079524	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-2H"	-2.014552
"78681"	519.339924	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M-H"	-1.007276
"531118"	779.513524	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M-H"	-1.007276
"908926"	259.166324	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-H"	-1.007276
"56741"	536.366471	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M-2H+NH4"	16.019271
"500676"	796.540071	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M-2H+NH4"	16.019271
"878112"	276.192871	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-2H+NH4"	16.019271
"39816"	541.321866	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M-2H+Na"	20.974666
"482657"	801.495466	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M-2H+Na"	20.974666
"852439"	281.148266	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-2H+Na"	20.974666
"1625619"	281.148266	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Na-2H"	20.974666
"98866"	277.154663	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M-H+Cl"	33.962126
"534781"	407.241463	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M-H+Cl"	33.962126
"930847"	147.067863	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-H+Cl"	33.962126
"270497"	555.316602	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+Cl"	34.969402
"671666"	815.490202	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+Cl"	34.969402
"1277142"	295.143002	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Cl"	34.969402
"20428"	557.295806	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M-2H+K"	36.948606
"462906"	817.469406	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M-2H+K"	36.948606
"837426"	297.122206	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-2H+K"	36.948606
"1565290"	297.122206	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+K-2H"	36.948606
"949893"	305.171794	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-H+HCOOH"	44.998194
"364828"	565.345401	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+HCOOH-H"	44.998201
"358554"	579.361051	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+Hac-H"	59.013851
"1506658"	319.187451	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Hac-H"	59.013851
"962902"	327.153751	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-H+NaCOOH"	66.980151
"111079"	295.143002	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+2Cl"	69.938804
"552462"	425.229802	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+2Cl"	69.938804
"1032195"	165.056202	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2Cl"	69.938804
"1249587"	339.092485	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Br"	78.918885
"1310942"	341.148472	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Cl+HCOOH"	80.974872
"1330259"	363.130429	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Cl+NaCOOH"	102.956829
"914756"	373.159186	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M-H+CF3COOH"	112.985586
"1292192"	409.135864	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Cl+CF3COOH"	148.962264
"1368167"	225.160924	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H-2H2O"	-35.012676
"1383595"	243.1709	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H-H2O"	-17.0027
"288268"	521.354476	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+H"	1.007276
"678866"	781.528076	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+H"	1.007276
"1352665"	261.180876	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H"	1.007276
"131021"	261.180876	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+2H"	2.014552
"581159"	391.267676	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+2H"	2.014552
"1051782"	131.094076	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2H"	2.014552
"219323"	174.456342666667	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+3H"	3.021828
"653409"	261.180876	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+3H"	3.021828
"1172628"	87.7318093333333	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+3H"	3.021828
"433714"	538.381023	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+NH4"	18.033823
"797991"	798.554623	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+NH4"	18.033823
"1693228"	278.207423	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+NH4"	18.033823
"342603"	269.6941495	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+H+NH4"	19.041099
"733930"	399.7809495	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+H+NH4"	19.041099
"1485561"	139.6073495	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H+NH4"	19.041099
"399866"	543.336418	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+Na"	22.989218
"759769"	803.510018	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+Na"	22.989218
"1614434"	283.162818	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Na"	22.989218
"323377"	272.171847	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+H+Na"	23.996494
"717985"	402.258647	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+H+Na"	23.996494
"1465245"	142.085047	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H+Na"	23.996494
"1055936"	95.0591233333333	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2H+Na"	25.00377
"1258345"	293.207086	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+CH3OH+H"	33.033486
"379471"	559.310358	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+K"	38.963158
"740102"	819.483958	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+K"	38.963158
"1542156"	299.136758	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+K"	38.963158
"299330"	280.158817	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+H+K"	39.970434
"691668"	410.245617	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+H+K"	39.970434
"1446663"	150.072017	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H+K"	39.970434
"236152"	562.381026	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+ACN+H"	42.033826
"1210649"	302.207426	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+ACN+H"	42.033826
"1194900"	151.607351	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+ACN+2H"	43.041102
"189476"	565.31836	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+2Na-H"	44.97116
"633046"	825.49196	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+2Na-H"	44.97116
"1134368"	305.14476	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2Na-H"	44.97116
"178391"	283.162818	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+2Na"	45.978436
"615031"	413.249618	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+2Na"	45.978436
"1123645"	153.076018	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2Na"	45.978436
"1403889"	102.386437333333	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H+2Na"	46.985712
"1442567"	307.186346	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H+HCOOH"	47.012746
"230077"	288.19584	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+3H2O+2H"	56.04448
"1519234"	321.23839	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+IsoProp+H"	61.06479
"421109"	291.149788	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+Na+K"	61.952376
"784171"	421.236588	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+Na+K"	61.952376
"1679167"	161.062988	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Na+K"	61.952376
"260583"	584.362968	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+ACN+Na"	64.015768
"1236571"	324.189368	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+ACN+Na"	64.015768
"1725457"	324.212893	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+NH4+HCOOH"	64.039293
"1181697"	109.713751333333	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+3Na"	68.967654
"1655242"	329.168288	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Na+HCOOH"	68.994688
"158816"	597.26624	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+2K-H"	76.91904
"598621"	857.43984	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+2K-H"	76.91904
"1085926"	337.09264	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2K-H"	76.91904
"142862"	299.136758	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"2M+2K"	77.926316
"586930"	429.223558	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"3M+2K"	77.926316
"1074724"	169.049958	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2K"	77.926316
"1109756"	339.107192	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2K+H"	78.933592
"1339942"	339.194807	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+DMSO+H"	79.021207
"1008106"	343.233976	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2ACN+H"	83.060376
"1532065"	344.227608	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+IsoProp+Na+H"	84.054008
"999606"	172.120626	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+2ACN+2H"	84.067652
"1591924"	345.142228	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+K+HCOOH"	84.968628
"1427425"	375.173738	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+H+CF3COOH"	115.000138
"1153338"	192.633901	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+3ACN+2H"	125.094202
"1707263"	392.200285	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+NH4+CF3COOH"	132.026685
"1638540"	397.15568	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+Na+CF3COOH"	136.98208
"1582942"	413.12962	"C07927"	"Carisoprodol"	"C12H24N2O4"	"260.1736"	"M+K+CF3COOH"	152.95602
"810028"	202.0397	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M"	0
"977000"	183.02131	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-H2O-H"	-19.01839
"64515"	133.685857333333	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M-3H"	-3.021828
"504802"	201.032424	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M-3H"	-3.021828
"882605"	66.3392906666667	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-3H"	-3.021828
"1179"	201.032424	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M-2H"	-2.014552
"441831"	302.052274	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M-2H"	-2.014552
"817323"	100.012574	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-2H"	-2.014552
"78812"	403.072124	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M-H"	-1.007276
"529041"	605.111824	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M-H"	-1.007276
"909763"	201.032424	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-H"	-1.007276
"61830"	420.098671	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M-2H+NH4"	16.019271
"502490"	622.138371	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M-2H+NH4"	16.019271
"877855"	218.058971	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-2H+NH4"	16.019271
"39926"	425.054066	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M-2H+Na"	20.974666
"479487"	627.093766	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M-2H+Na"	20.974666
"854372"	223.014366	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-2H+Na"	20.974666
"1626822"	223.014366	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Na-2H"	20.974666
"100069"	219.020763	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M-H+Cl"	33.962126
"539629"	320.040613	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M-H+Cl"	33.962126
"929863"	118.000913	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-H+Cl"	33.962126
"269874"	439.048802	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+Cl"	34.969402
"665215"	641.088502	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+Cl"	34.969402
"1274701"	237.009102	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Cl"	34.969402
"18351"	441.028006	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M-2H+K"	36.948606
"469576"	643.067706	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M-2H+K"	36.948606
"835350"	238.988306	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-2H+K"	36.948606
"1565400"	238.988306	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+K-2H"	36.948606
"950003"	247.037894	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-H+HCOOH"	44.998194
"364938"	449.077601	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+HCOOH-H"	44.998201
"358664"	463.093251	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+Hac-H"	59.013851
"1507496"	261.053551	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Hac-H"	59.013851
"964106"	269.019851	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-H+NaCOOH"	66.980151
"111919"	237.009102	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+2Cl"	69.938804
"553666"	338.028952	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+2Cl"	69.938804
"1034492"	135.989252	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2Cl"	69.938804
"1252977"	280.958585	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Br"	78.918885
"1314332"	283.014572	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Cl+HCOOH"	80.974872
"1330734"	304.996529	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Cl+NaCOOH"	102.956829
"917418"	315.025286	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M-H+CF3COOH"	112.985586
"1294125"	351.001964	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Cl+CF3COOH"	148.962264
"1371194"	167.027024	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H-2H2O"	-35.012676
"1386503"	185.037	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H-H2O"	-17.0027
"288378"	405.086676	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+H"	1.007276
"679705"	607.126376	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+H"	1.007276
"1353868"	203.046976	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H"	1.007276
"131131"	203.046976	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+2H"	2.014552
"580299"	304.066826	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+2H"	2.014552
"1051771"	102.027126	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2H"	2.014552
"219071"	135.700409333333	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+3H"	3.021828
"652426"	203.046976	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+3H"	3.021828
"1174925"	68.3538426666667	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+3H"	3.021828
"434916"	422.113223	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+NH4"	18.033823
"795914"	624.152923	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+NH4"	18.033823
"1694431"	220.073523	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+NH4"	18.033823
"342348"	211.5602495	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+H+NH4"	19.041099
"730760"	312.5800995	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+H+NH4"	19.041099
"1485670"	110.5403995	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H+NH4"	19.041099
"401069"	427.068618	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+Na"	22.989218
"760972"	629.108318	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+Na"	22.989218
"1613451"	225.028918	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Na"	22.989218
"323487"	214.037947	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+H+Na"	23.996494
"717002"	315.057797	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+H+Na"	23.996494
"1466448"	113.018097	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H+Na"	23.996494
"1055318"	75.6811566666667	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2H+Na"	25.00377
"1257846"	235.073186	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+CH3OH+H"	33.033486
"377637"	443.042558	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+K"	38.963158
"740212"	645.082258	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+K"	38.963158
"1540808"	241.002858	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+K"	38.963158
"302359"	222.024917	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+H+K"	39.970434
"691578"	323.044767	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+H+K"	39.970434
"1445671"	121.005067	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H+K"	39.970434
"235903"	446.113226	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+ACN+H"	42.033826
"1209965"	244.073526	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+ACN+H"	42.033826
"1194193"	122.540401	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+ACN+2H"	43.041102
"189584"	449.05056	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+2Na-H"	44.97116
"632063"	651.09026	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+2Na-H"	44.97116
"1137397"	247.01086	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2Na-H"	44.97116
"180688"	225.028918	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+2Na"	45.978436
"616963"	326.048768	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+2Na"	45.978436
"1123755"	124.009068	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2Na"	45.978436
"1406187"	83.0084706666667	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H+2Na"	46.985712
"1439397"	249.052446	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H+HCOOH"	47.012746
"234075"	230.06194	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+3H2O+2H"	56.04448
"1516427"	263.10449	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+IsoProp+H"	61.06479
"413927"	233.015888	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+Na+K"	61.952376
"784401"	334.035738	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+Na+K"	61.952376
"1680368"	131.996038	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Na+K"	61.952376
"261789"	468.095168	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+ACN+Na"	64.015768
"1235587"	266.055468	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+ACN+Na"	64.015768
"1724474"	266.078993	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+NH4+HCOOH"	64.039293
"1181807"	90.3357846666667	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+3Na"	68.967654
"1650976"	271.034388	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Na+HCOOH"	68.994688
"157839"	480.99844	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+2K-H"	76.91904
"597096"	683.03814	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+2K-H"	76.91904
"1084821"	278.95874	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2K-H"	76.91904
"142001"	241.002858	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"2M+2K"	77.926316
"587040"	342.022708	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"3M+2K"	77.926316
"1070093"	139.983008	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2K"	77.926316
"1112416"	280.973292	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2K+H"	78.933592
"1337014"	281.060907	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+DMSO+H"	79.021207
"1006393"	285.100076	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2ACN+H"	83.060376
"1529988"	286.093708	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+IsoProp+Na+H"	84.054008
"994249"	143.053676	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+2ACN+2H"	84.067652
"1590940"	287.008328	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+K+HCOOH"	84.968628
"1425348"	317.039838	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+H+CF3COOH"	115.000138
"1150168"	163.566951	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+3ACN+2H"	125.094202
"1704093"	334.066385	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+NH4+CF3COOH"	132.026685
"1645211"	339.02178	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+Na+CF3COOH"	136.98208
"1583052"	354.99572	"C07928"	"Chlorphenesin"	"C9H11ClO3"	"202.0397"	"M+K+CF3COOH"	152.95602
"810138"	245.0455	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M"	0
"980390"	226.02711	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-H2O-H"	-19.01839
"63532"	162.356390666667	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M-3H"	-3.021828
"503532"	244.038224	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M-3H"	-3.021828
"880648"	80.6745573333333	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-3H"	-3.021828
"266"	244.038224	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M-2H"	-2.014552
"440400"	366.560974	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M-2H"	-2.014552
"817386"	121.515474	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-2H"	-2.014552
"78958"	489.083724	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M-H"	-1.007276
"522954"	734.129224	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M-H"	-1.007276
"899300"	244.038224	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-H"	-1.007276
"54768"	506.110271	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M-2H+NH4"	16.019271
"500529"	751.155771	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M-2H+NH4"	16.019271
"876508"	261.064771	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-2H+NH4"	16.019271
"40036"	511.065666	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M-2H+Na"	20.974666
"479597"	756.111166	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M-2H+Na"	20.974666
"855211"	266.020166	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-2H+Na"	20.974666
"1625839"	266.020166	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Na-2H"	20.974666
"100179"	262.026563	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M-H+Cl"	33.962126
"537552"	384.549313	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M-H+Cl"	33.962126
"928514"	139.503813	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-H+Cl"	33.962126
"269256"	525.060402	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+Cl"	34.969402
"660947"	770.105902	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+Cl"	34.969402
"1275539"	280.014902	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Cl"	34.969402
"18461"	527.039606	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M-2H+K"	36.948606
"463125"	772.085106	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M-2H+K"	36.948606
"837647"	281.994106	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-2H+K"	36.948606
"1564417"	281.994106	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+K-2H"	36.948606
"949020"	290.043694	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-H+HCOOH"	44.998194
"365046"	535.089201	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+HCOOH-H"	44.998201
"355494"	549.104851	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+Hac-H"	59.013851
"1499952"	304.059351	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Hac-H"	59.013851
"963121"	312.025651	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-H+NaCOOH"	66.980151
"111664"	280.014902	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+2Cl"	69.938804
"552683"	402.537652	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+2Cl"	69.938804
"1031322"	157.492152	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2Cl"	69.938804
"1249806"	323.964385	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Br"	78.918885
"1307881"	326.020372	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Cl+HCOOH"	80.974872
"1329750"	348.002329	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Cl+NaCOOH"	102.956829
"919714"	358.031086	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M-H+CF3COOH"	112.985586
"1295328"	394.007764	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Cl+CF3COOH"	148.962264
"1371301"	210.032824	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H-2H2O"	-35.012676
"1384425"	228.0428	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H-H2O"	-17.0027
"283504"	491.098276	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+H"	1.007276
"675964"	736.143776	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+H"	1.007276
"1355072"	246.052776	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H"	1.007276
"132335"	246.052776	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+2H"	2.014552
"580167"	368.575526	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+2H"	2.014552
"1051761"	123.530026	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2H"	2.014552
"218202"	164.370942666667	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+3H"	3.021828
"652535"	246.052776	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+3H"	3.021828
"1176008"	82.6891093333333	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+3H"	3.021828
"435026"	508.124823	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+NH4"	18.033823
"798940"	753.170323	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+NH4"	18.033823
"1694541"	263.079323	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+NH4"	18.033823
"344404"	254.5660495	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+H+NH4"	19.041099
"730870"	377.0887995	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+H+NH4"	19.041099
"1487967"	132.0432995	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H+NH4"	19.041099
"406283"	513.080218	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+Na"	22.989218
"759989"	758.125718	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+Na"	22.989218
"1610278"	268.034718	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Na"	22.989218
"322504"	257.043747	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+H+Na"	23.996494
"717112"	379.566497	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+H+Na"	23.996494
"1467653"	134.520997	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H+Na"	23.996494
"1056523"	90.0164233333333	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2H+Na"	25.00377
"1260751"	278.078986	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+CH3OH+H"	33.033486
"382244"	529.054158	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+K"	38.963158
"739712"	774.099658	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+K"	38.963158
"1544197"	284.008658	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+K"	38.963158
"300644"	265.030717	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+H+K"	39.970434
"693065"	387.553467	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+H+K"	39.970434
"1446884"	142.507967	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H+K"	39.970434
"236584"	532.124826	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+ACN+H"	42.033826
"1210032"	287.079326	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+ACN+H"	42.033826
"1194245"	144.043301	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+ACN+2H"	43.041102
"189815"	535.06216	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+2Na-H"	44.97116
"632173"	780.10766	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+2Na-H"	44.97116
"1137507"	290.01666	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2Na-H"	44.97116
"180798"	268.034718	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+2Na"	45.978436
"617074"	390.557468	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+2Na"	45.978436
"1119490"	145.511968	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2Na"	45.978436
"1403381"	97.3437373333333	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H+2Na"	46.985712
"1437684"	292.058246	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H+HCOOH"	47.012746
"231390"	273.06774	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+3H2O+2H"	56.04448
"1516173"	306.11029	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+IsoProp+H"	61.06479
"414036"	276.021688	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+Na+K"	61.952376
"779043"	398.544438	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+Na+K"	61.952376
"1676467"	153.498938	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Na+K"	61.952376
"264082"	554.106768	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+ACN+Na"	64.015768
"1234605"	309.061268	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+ACN+Na"	64.015768
"1721670"	309.084793	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+NH4+HCOOH"	64.039293
"1182646"	104.671051333333	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+3Na"	68.967654
"1651814"	314.040188	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Na+HCOOH"	68.994688
"159041"	567.01004	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+2K-H"	76.91904
"597253"	812.05554	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+2K-H"	76.91904
"1084688"	321.96454	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2K-H"	76.91904
"141581"	284.008658	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"2M+2K"	77.926316
"584598"	406.531408	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"3M+2K"	77.926316
"1070203"	161.485908	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2K"	77.926316
"1109245"	323.979092	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2K+H"	78.933592
"1337003"	324.066707	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+DMSO+H"	79.021207
"1005892"	328.105876	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2ACN+H"	83.060376
"1530098"	329.099508	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+IsoProp+Na+H"	84.054008
"994359"	164.556576	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+2ACN+2H"	84.067652
"1591414"	330.014128	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+K+HCOOH"	84.968628
"1425458"	360.045638	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+H+CF3COOH"	115.000138
"1150278"	185.069851	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+3ACN+2H"	125.094202
"1704203"	377.072185	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+NH4+CF3COOH"	132.026685
"1645321"	382.02758	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+Na+CF3COOH"	136.98208
"1583162"	398.00152	"C07930"	"Chlorphenesin carbamate"	"C10H12ClNO4"	"245.0455"	"M+K+CF3COOH"	152.95602
"812437"	168.9931	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M"	0
"989702"	149.97471	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-H2O-H"	-19.01839
"67654"	111.654790666667	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M-3H"	-3.021828
"512683"	167.985824	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M-3H"	-3.021828
"885017"	55.3237573333333	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-3H"	-3.021828
"4684"	167.985824	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M-2H"	-2.014552
"446434"	252.482374	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M-2H"	-2.014552
"820955"	83.489274	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-2H"	-2.014552
"89701"	336.978924	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M-H"	-1.007276
"523793"	505.972024	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M-H"	-1.007276
"910677"	167.985824	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-H"	-1.007276
"62380"	354.005471	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M-2H+NH4"	16.019271
"502107"	522.998571	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M-2H+NH4"	16.019271
"879301"	185.012371	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-2H+NH4"	16.019271
"41970"	358.960866	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M-2H+Na"	20.974666
"482621"	527.953966	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M-2H+Na"	20.974666
"852405"	189.967766	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-2H+Na"	20.974666
"1624855"	189.967766	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Na-2H"	20.974666
"99196"	185.974163	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M-H+Cl"	33.962126
"542037"	270.470713	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M-H+Cl"	33.962126
"938832"	101.477613	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-H+Cl"	33.962126
"278486"	372.955602	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+Cl"	34.969402
"670907"	541.948702	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+Cl"	34.969402
"1284404"	203.962502	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Cl"	34.969402
"26958"	374.934806	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M-2H+K"	36.948606
"464334"	543.927906	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M-2H+K"	36.948606
"846877"	205.941706	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-2H+K"	36.948606
"1570487"	205.941706	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+K-2H"	36.948606
"957401"	213.991294	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-H+HCOOH"	44.998194
"376716"	382.984401	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+HCOOH-H"	44.998201
"359979"	397.000051	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+Hac-H"	59.013851
"1503344"	228.006951	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Hac-H"	59.013851
"965418"	235.973251	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-H+NaCOOH"	66.980151
"115418"	203.962502	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+2Cl"	69.938804
"557165"	288.459052	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+2Cl"	69.938804
"1030339"	119.465952	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2Cl"	69.938804
"1248826"	247.911985	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Br"	78.918885
"1312366"	249.967972	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Cl+HCOOH"	80.974872
"1320385"	271.949929	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Cl+NaCOOH"	102.956829
"917640"	281.978686	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M-H+CF3COOH"	112.985586
"1289362"	317.955364	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Cl+CF3COOH"	148.962264
"1371414"	133.980424	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H-2H2O"	-35.012676
"1383444"	151.9904	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H-H2O"	-17.0027
"285317"	338.993476	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+H"	1.007276
"684303"	507.986576	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+H"	1.007276
"1363933"	170.000376	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H"	1.007276
"136823"	170.000376	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+2H"	2.014552
"579544"	254.496926	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+2H"	2.014552
"1052482"	85.503826	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2H"	2.014552
"219411"	113.669342666667	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+3H"	3.021828
"658733"	170.000376	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+3H"	3.021828
"1177704"	57.3383093333333	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+3H"	3.021828
"439647"	356.020023	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+NH4"	18.033823
"799913"	525.013123	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+NH4"	18.033823
"1696244"	187.026923	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+NH4"	18.033823
"341844"	178.5136495	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+H+NH4"	19.041099
"737544"	263.0101995	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+H+NH4"	19.041099
"1488084"	94.0170995	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H+NH4"	19.041099
"404577"	360.975418	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+Na"	22.989218
"761198"	529.968518	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+Na"	22.989218
"1614768"	191.982318	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Na"	22.989218
"328087"	180.991347	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+H+Na"	23.996494
"720141"	265.487897	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+H+Na"	23.996494
"1472138"	96.494797	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H+Na"	23.996494
"1058822"	64.6656233333333	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2H+Na"	25.00377
"1265966"	202.026586	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+CH3OH+H"	33.033486
"380166"	376.949358	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+K"	38.963158
"742254"	545.942458	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+K"	38.963158
"1544309"	207.956258	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+K"	38.963158
"302579"	188.978317	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+H+K"	39.970434
"693541"	273.474867	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+H+K"	39.970434
"1446996"	104.481767	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H+K"	39.970434
"236008"	380.020026	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+ACN+H"	42.033826
"1213416"	211.026926	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+ACN+H"	42.033826
"1195840"	106.017101	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+ACN+2H"	43.041102
"190537"	382.95736	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+2Na-H"	44.97116
"636298"	551.95046	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+2Na-H"	44.97116
"1136524"	213.96426	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2Na-H"	44.97116
"177630"	191.982318	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+2Na"	45.978436
"618283"	276.478868	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+2Na"	45.978436
"1118505"	107.485768	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2Na"	45.978436
"1405315"	71.9929373333333	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H+2Na"	46.985712
"1439617"	216.005846	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H+HCOOH"	47.012746
"231504"	197.01534	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+3H2O+2H"	56.04448
"1518472"	230.05789	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+IsoProp+H"	61.06479
"420346"	199.969288	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+Na+K"	61.952376
"781341"	284.465838	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+Na+K"	61.952376
"1677674"	115.472738	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Na+K"	61.952376
"262006"	402.001968	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+ACN+Na"	64.015768
"1235808"	233.008868	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+ACN+Na"	64.015768
"1718133"	233.032393	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+NH4+HCOOH"	64.039293
"1184945"	79.3202513333333	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+3Na"	68.967654
"1658855"	237.987788	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Na+HCOOH"	68.994688
"164622"	414.90524	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+2K-H"	76.91904
"604182"	583.89834	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+2K-H"	76.91904
"1097082"	245.91214	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2K-H"	76.91904
"150981"	207.956258	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"2M+2K"	77.926316
"593829"	292.452808	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"3M+2K"	77.926316
"1080525"	123.459708	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2K"	77.926316
"1112640"	247.926692	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2K+H"	78.933592
"1349024"	248.014307	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+DMSO+H"	79.021207
"1018649"	252.053476	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2ACN+H"	83.060376
"1539660"	253.047108	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+IsoProp+Na+H"	84.054008
"1004321"	126.530376	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+2ACN+2H"	84.067652
"1599913"	253.961728	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+K+HCOOH"	84.968628
"1426663"	283.993238	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+H+CF3COOH"	115.000138
"1151483"	147.043651	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+3ACN+2H"	125.094202
"1701035"	301.019785	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+NH4+CF3COOH"	132.026685
"1649328"	305.97518	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+Na+CF3COOH"	136.98208
"1583272"	321.94912	"C07931"	"Chlorzoxazone"	"C7H4ClNO2"	"168.9931"	"M+K+CF3COOH"	152.95602
"807078"	336.0471	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M"	0
"980611"	317.02871	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-H2O-H"	-19.01839
"63748"	223.024124	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M-3H"	-3.021828
"503431"	335.039824	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M-3H"	-3.021828
"881841"	111.008424	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-3H"	-3.021828
"1515"	335.039824	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M-2H"	-2.014552
"446544"	503.063374	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M-2H"	-2.014552
"819972"	167.016274	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-2H"	-2.014552
"89811"	671.086924	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M-H"	-1.007276
"524996"	1007.134024	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M-H"	-1.007276
"910098"	335.039824	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-H"	-1.007276
"61562"	688.113471	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M-2H+NH4"	16.019271
"500998"	1024.160571	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M-2H+NH4"	16.019271
"877709"	352.066371	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-2H+NH4"	16.019271
"42809"	693.068866	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M-2H+Na"	20.974666
"474713"	1029.115966	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M-2H+Na"	20.974666
"855434"	357.021766	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-2H+Na"	20.974666
"1623874"	357.021766	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Na-2H"	20.974666
"101496"	353.028163	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M-H+Cl"	33.962126
"539962"	521.051713	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M-H+Cl"	33.962126
"936756"	185.004613	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-H+Cl"	33.962126
"277502"	707.063602	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+Cl"	34.969402
"672477"	1043.110702	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+Cl"	34.969402
"1284511"	371.016502	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Cl"	34.969402
"23787"	709.042806	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M-2H+K"	36.948606
"467725"	1045.089906	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M-2H+K"	36.948606
"846257"	372.995706	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-2H+K"	36.948606
"1569749"	372.995706	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+K-2H"	36.948606
"957507"	381.045294	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-H+HCOOH"	44.998194
"375116"	717.092401	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+HCOOH-H"	44.998201
"350251"	731.108051	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+Hac-H"	59.013851
"1499082"	395.060951	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Hac-H"	59.013851
"963340"	403.027251	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-H+NaCOOH"	66.980151
"115528"	371.016502	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+2Cl"	69.938804
"553998"	539.040052	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+2Cl"	69.938804
"1023159"	202.992952	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2Cl"	69.938804
"1245656"	414.965985	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Br"	78.918885
"1304415"	417.021972	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Cl+HCOOH"	80.974872
"1322319"	439.003929	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Cl+NaCOOH"	102.956829
"914470"	449.032686	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M-H+CF3COOH"	112.985586
"1288987"	485.009364	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Cl+CF3COOH"	148.962264
"1368244"	301.034424	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H-2H2O"	-35.012676
"1383305"	319.0444	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H-H2O"	-17.0027
"283240"	673.101476	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+H"	1.007276
"684413"	1009.148576	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+H"	1.007276
"1365136"	337.054376	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H"	1.007276
"140581"	337.054376	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+2H"	2.014552
"581231"	505.077926	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+2H"	2.014552
"1050764"	169.030826	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2H"	2.014552
"219763"	225.038676	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+3H"	3.021828
"659085"	337.054376	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+3H"	3.021828
"1178055"	113.022976	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+3H"	3.021828
"439270"	690.128023	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+NH4"	18.033823
"800875"	1026.175123	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+NH4"	18.033823
"1696758"	354.080923	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+NH4"	18.033823
"345234"	345.5676495	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+H+NH4"	19.041099
"736561"	513.5911995	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+H+NH4"	19.041099
"1484914"	177.5440995	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H+NH4"	19.041099
"404687"	695.083418	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+Na"	22.989218
"760215"	1031.130518	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+Na"	22.989218
"1617065"	359.036318	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Na"	22.989218
"328803"	348.045347	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+H+Na"	23.996494
"718428"	516.068897	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+H+Na"	23.996494
"1472248"	180.021797	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H+Na"	23.996494
"1061118"	120.35029	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2H+Na"	25.00377
"1266076"	369.080586	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+CH3OH+H"	33.033486
"382465"	711.057358	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+K"	38.963158
"743460"	1047.104458	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+K"	38.963158
"1543689"	375.010258	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+K"	38.963158
"302691"	356.032317	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+H+K"	39.970434
"695110"	524.055867	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+H+K"	39.970434
"1446742"	188.008767	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H+K"	39.970434
"236556"	714.128026	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+ACN+H"	42.033826
"1214621"	378.080926	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+ACN+H"	42.033826
"1195950"	189.544101	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+ACN+2H"	43.041102
"190283"	717.06536	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+2Na-H"	44.97116
"638595"	1053.11246	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+2Na-H"	44.97116
"1136635"	381.01826	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2Na-H"	44.97116
"177740"	359.036318	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+2Na"	45.978436
"621673"	527.059868	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+2Na"	45.978436
"1126274"	191.012768	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2Na"	45.978436
"1405425"	127.677604	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H+2Na"	46.985712
"1437540"	383.059846	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H+HCOOH"	47.012746
"228332"	364.06934	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+3H2O+2H"	56.04448
"1516396"	397.11189	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+IsoProp+H"	61.06479
"419363"	367.023288	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+Na+K"	61.952376
"781451"	535.046838	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+Na+K"	61.952376
"1676691"	198.999738	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Na+K"	61.952376
"262116"	736.109968	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+ACN+Na"	64.015768
"1235918"	400.062868	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+ACN+Na"	64.015768
"1723710"	400.086393	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+NH4+HCOOH"	64.039293
"1184691"	135.004918	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+3Na"	68.967654
"1651308"	405.041788	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Na+HCOOH"	68.994688
"159263"	749.01324	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+2K-H"	76.91904
"597602"	1085.06034	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+2K-H"	76.91904
"1084221"	412.96614	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2K-H"	76.91904
"151091"	375.010258	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"2M+2K"	77.926316
"596370"	543.033808	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"3M+2K"	77.926316
"1081726"	206.986708	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2K"	77.926316
"1113721"	414.980692	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2K+H"	78.933592
"1349377"	415.068307	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+DMSO+H"	79.021207
"1020824"	419.107476	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2ACN+H"	83.060376
"1539318"	420.101108	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+IsoProp+Na+H"	84.054008
"1004675"	210.057376	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+2ACN+2H"	84.067652
"1600023"	421.015728	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+K+HCOOH"	84.968628
"1426773"	451.047238	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+H+CF3COOH"	115.000138
"1150500"	230.570651	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+3ACN+2H"	125.094202
"1704425"	468.073785	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+NH4+CF3COOH"	132.026685
"1648463"	473.02918	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+Na+CF3COOH"	136.98208
"1583382"	489.00312	"C07933"	"Dantrolene sodium anhydrous"	"C14H9N4O5Na"	"336.0471"	"M+K+CF3COOH"	152.95602
"810468"	221.1052	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M"	0
"984001"	202.08681	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-H2O-H"	-19.01839
"63863"	146.396190666667	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M-3H"	-3.021828
"507431"	220.097924	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M-3H"	-3.021828
"883046"	72.6944573333333	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-3H"	-3.021828
"2713"	220.097924	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M-2H"	-2.014552
"441058"	330.650524	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M-2H"	-2.014552
"817643"	109.545324	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-2H"	-2.014552
"79091"	441.203124	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M-H"	-1.007276
"527294"	662.308324	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M-H"	-1.007276
"909471"	220.097924	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-H"	-1.007276
"62477"	458.229671	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M-2H+NH4"	16.019271
"501232"	679.334871	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M-2H+NH4"	16.019271
"877943"	237.124471	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-2H+NH4"	16.019271
"46078"	463.185066	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M-2H+Na"	20.974666
"477739"	684.290266	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M-2H+Na"	20.974666
"858823"	242.079866	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-2H+Na"	20.974666
"1628357"	242.079866	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Na-2H"	20.974666
"102699"	238.086263	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M-H+Cl"	33.962126
"540072"	348.638863	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M-H+Cl"	33.962126
"934679"	127.533663	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-H+Cl"	33.962126
"279799"	477.179802	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+Cl"	34.969402
"674774"	698.285002	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+Cl"	34.969402
"1286447"	256.074602	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Cl"	34.969402
"30094"	479.159006	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M-2H+K"	36.948606
"470388"	700.264206	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M-2H+K"	36.948606
"847461"	258.053806	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-2H+K"	36.948606
"1570914"	258.053806	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+K-2H"	36.948606
"957134"	266.103394	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-H+HCOOH"	44.998194
"377087"	487.208601	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+HCOOH-H"	44.998201
"353641"	501.224251	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+Hac-H"	59.013851
"1501379"	280.119051	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Hac-H"	59.013851
"965638"	288.085351	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-H+NaCOOH"	66.980151
"116731"	256.074602	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+2Cl"	69.938804
"554108"	366.627202	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+2Cl"	69.938804
"1025457"	145.522002	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2Cl"	69.938804
"1244673"	300.024085	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Br"	78.918885
"1307120"	302.080072	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Cl+HCOOH"	80.974872
"1328989"	324.062029	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Cl+NaCOOH"	102.956829
"914580"	334.090786	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M-H+CF3COOH"	112.985586
"1289463"	370.067464	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Cl+CF3COOH"	148.962264
"1367863"	186.092524	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H-2H2O"	-35.012676
"1383540"	204.1025	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H-H2O"	-17.0027
"283955"	443.217676	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+H"	1.007276
"684523"	664.322876	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+H"	1.007276
"1364882"	222.112476	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H"	1.007276
"140815"	222.112476	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+2H"	2.014552
"580259"	332.665076	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+2H"	2.014552
"1050874"	111.559876	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2H"	2.014552
"219710"	148.410742666667	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+3H"	3.021828
"658953"	222.112476	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+3H"	3.021828
"1177685"	74.7090093333333	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+3H"	3.021828
"439748"	460.244223	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+NH4"	18.033823
"801274"	681.349423	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+NH4"	18.033823
"1696835"	239.139023	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+NH4"	18.033823
"344254"	230.6257495	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+H+NH4"	19.041099
"736309"	341.1783495	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+H+NH4"	19.041099
"1489764"	120.0731495	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H+NH4"	19.041099
"406866"	465.199618	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+Na"	22.989218
"760325"	686.304818	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+Na"	22.989218
"1616449"	244.094418	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Na"	22.989218
"326117"	233.103447	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+H+Na"	23.996494
"720001"	343.656047	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+H+Na"	23.996494
"1472359"	122.550847	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H+Na"	23.996494
"1056856"	82.0363233333333	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2H+Na"	25.00377
"1262909"	254.138686	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+CH3OH+H"	33.033486
"382577"	481.173558	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+K"	38.963158
"742478"	702.278758	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+K"	38.963158
"1544530"	260.068358	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+K"	38.963158
"302800"	241.090417	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+H+K"	39.970434
"692787"	351.643017	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+H+K"	39.970434
"1447947"	130.537817	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H+K"	39.970434
"238011"	484.244226	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+ACN+H"	42.033826
"1213638"	263.139026	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+ACN+H"	42.033826
"1195207"	132.073151	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+ACN+2H"	43.041102
"190393"	487.18156	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+2Na-H"	44.97116
"636518"	708.28676	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+2Na-H"	44.97116
"1138932"	266.07636	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2Na-H"	44.97116
"177484"	244.094418	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+2Na"	45.978436
"617045"	354.647018	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+2Na"	45.978436
"1127477"	133.541818	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2Na"	45.978436
"1408814"	89.3636373333333	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H+2Na"	46.985712
"1434368"	268.117946	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H+HCOOH"	47.012746
"229536"	249.12744	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+3H2O+2H"	56.04448
"1517598"	282.16999	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+IsoProp+H"	61.06479
"419473"	252.081388	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+Na+K"	61.952376
"781561"	362.633988	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+Na+K"	61.952376
"1680081"	141.528788	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Na+K"	61.952376
"262226"	506.226168	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+ACN+Na"	64.015768
"1239308"	285.120968	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+ACN+Na"	64.015768
"1722727"	285.144493	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+NH4+HCOOH"	64.039293
"1185895"	96.6909513333333	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+3Na"	68.967654
"1651052"	290.099888	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Na+HCOOH"	68.994688
"158154"	519.12944	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+2K-H"	76.91904
"598441"	740.23464	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+2K-H"	76.91904
"1085868"	298.02424	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2K-H"	76.91904
"146824"	260.068358	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"2M+2K"	77.926316
"595140"	370.620958	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"3M+2K"	77.926316
"1082809"	149.515758	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2K"	77.926316
"1113588"	300.038792	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2K+H"	78.933592
"1349729"	300.126407	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+DMSO+H"	79.021207
"1020817"	304.165576	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2ACN+H"	83.060376
"1539553"	305.159208	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+IsoProp+Na+H"	84.054008
"1005396"	152.586426	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+2ACN+2H"	84.067652
"1601836"	306.073828	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+K+HCOOH"	84.968628
"1426883"	336.105338	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+H+CF3COOH"	115.000138
"1150610"	173.099701	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+3ACN+2H"	125.094202
"1704535"	353.131885	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+NH4+CF3COOH"	132.026685
"1648937"	358.08728	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+Na+CF3COOH"	136.98208
"1583492"	374.06122	"C07934"	"Metaxalone"	"C12H15NO3"	"221.1052"	"M+K+CF3COOH"	152.95602
"807298"	269.178	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M"	0
"977550"	250.15961	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-H2O-H"	-19.01839
"67984"	178.444724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M-3H"	-3.021828
"505720"	268.170724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M-3H"	-3.021828
"883156"	88.718724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-3H"	-3.021828
"3187"	268.170724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M-2H"	-2.014552
"440397"	402.759724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M-2H"	-2.014552
"819457"	133.581724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-2H"	-2.014552
"78838"	537.348724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M-H"	-1.007276
"530685"	806.526724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M-H"	-1.007276
"909581"	268.170724	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-H"	-1.007276
"62715"	554.375271	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M-2H+NH4"	16.019271
"502666"	823.553271	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M-2H+NH4"	16.019271
"878539"	285.197271	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-2H+NH4"	16.019271
"45946"	559.330666	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M-2H+Na"	20.974666
"485869"	828.508666	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M-2H+Na"	20.974666
"862823"	290.152666	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-2H+Na"	20.974666
"1631747"	290.152666	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Na-2H"	20.974666
"102809"	286.159063	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M-H+Cl"	33.962126
"545649"	420.748063	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M-H+Cl"	33.962126
"941837"	151.570063	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-H+Cl"	33.962126
"280273"	573.325402	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+Cl"	34.969402
"674642"	842.503402	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+Cl"	34.969402
"1288310"	304.147402	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Cl"	34.969402
"29601"	575.304606	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M-2H+K"	36.948606
"469769"	844.482606	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M-2H+K"	36.948606
"848372"	306.126606	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-2H+K"	36.948606
"1571119"	306.126606	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+K-2H"	36.948606
"957569"	314.176194	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-H+HCOOH"	44.998194
"376969"	583.354201	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+HCOOH-H"	44.998201
"359218"	597.369851	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+Hac-H"	59.013851
"1506956"	328.191851	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Hac-H"	59.013851
"964656"	336.158151	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-H+NaCOOH"	66.980151
"121216"	304.147402	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+2Cl"	69.938804
"557497"	438.736402	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+2Cl"	69.938804
"1027389"	169.558402	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2Cl"	69.938804
"1244054"	348.096885	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Br"	78.918885
"1307594"	350.152872	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Cl+HCOOH"	80.974872
"1330194"	372.134829	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Cl+NaCOOH"	102.956829
"917970"	382.163586	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M-H+CF3COOH"	112.985586
"1295770"	418.140264	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Cl+CF3COOH"	148.962264
"1371744"	234.165324	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H-2H2O"	-35.012676
"1383164"	252.1753	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H-H2O"	-17.0027
"284188"	539.363276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+H"	1.007276
"684633"	808.541276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+H"	1.007276
"1364263"	270.185276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H"	1.007276
"138246"	270.185276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+2H"	2.014552
"580975"	404.774276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+2H"	2.014552
"1051592"	135.596276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2H"	2.014552
"216698"	180.459276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+3H"	3.021828
"659834"	270.185276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+3H"	3.021828
"1178040"	90.733276	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+3H"	3.021828
"439899"	556.389823	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+NH4"	18.033823
"801135"	825.567823	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+NH4"	18.033823
"1696821"	287.211823	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+NH4"	18.033823
"345428"	278.6985495	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+H+NH4"	19.041099
"738161"	413.2875495	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+H+NH4"	19.041099
"1489509"	144.1095495	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H+NH4"	19.041099
"406002"	561.345218	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+Na"	22.989218
"760435"	830.523218	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+Na"	22.989218
"1617285"	292.167218	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Na"	22.989218
"328051"	281.176247	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+H+Na"	23.996494
"720478"	415.765247	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+H+Na"	23.996494
"1473562"	146.587247	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H+Na"	23.996494
"1060246"	98.06059	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2H+Na"	25.00377
"1266299"	302.211486	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+CH3OH+H"	33.033486
"379773"	577.319158	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+K"	38.963158
"744775"	846.497158	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+K"	38.963158
"1544640"	308.141158	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+K"	38.963158
"301816"	289.163217	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+H+K"	39.970434
"692050"	423.752217	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+H+K"	39.970434
"1446598"	154.574217	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H+K"	39.970434
"235930"	580.389826	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+ACN+H"	42.033826
"1213748"	311.211826	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+ACN+H"	42.033826
"1194832"	156.109551	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+ACN+2H"	43.041102
"191231"	583.32716	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+2Na-H"	44.97116
"634438"	852.50516	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+2Na-H"	44.97116
"1139042"	314.14916	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2Na-H"	44.97116
"186706"	292.167218	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+2Na"	45.978436
"625174"	426.756218	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+2Na"	45.978436
"1129774"	157.578218	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2Na"	45.978436
"1411112"	105.387904	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H+2Na"	46.985712
"1438852"	316.190746	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H+HCOOH"	47.012746
"231834"	297.20024	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+3H2O+2H"	56.04448
"1518801"	330.24279	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+IsoProp+H"	61.06479
"416301"	300.154188	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+Na+K"	61.952376
"783859"	434.743188	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+Na+K"	61.952376
"1681124"	165.565188	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Na+K"	61.952376
"263431"	602.371768	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+ACN+Na"	64.015768
"1236140"	333.193768	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+ACN+Na"	64.015768
"1722837"	333.217293	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+NH4+HCOOH"	64.039293
"1188191"	112.715218	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+3Na"	68.967654
"1653715"	338.172688	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Na+HCOOH"	68.994688
"158506"	615.27504	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+2K-H"	76.91904
"597945"	884.45304	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+2K-H"	76.91904
"1086833"	346.09704	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2K-H"	76.91904
"150215"	308.141158	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"2M+2K"	77.926316
"596470"	442.730158	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"3M+2K"	77.926316
"1083284"	173.552158	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2K"	77.926316
"1114671"	348.111592	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2K+H"	78.933592
"1350203"	348.199207	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+DMSO+H"	79.021207
"1020806"	352.238376	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2ACN+H"	83.060376
"1539583"	353.232008	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+IsoProp+Na+H"	84.054008
"1004897"	176.622826	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+2ACN+2H"	84.067652
"1601337"	354.146628	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+K+HCOOH"	84.968628
"1426993"	384.178138	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+H+CF3COOH"	115.000138
"1150720"	197.136101	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+3ACN+2H"	125.094202
"1701365"	401.204685	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+NH4+CF3COOH"	132.026685
"1647953"	406.16008	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+Na+CF3COOH"	136.98208
"1583602"	422.13402	"C07935"	"Orphenadrine"	"C18H23NO"	"269.178"	"M+K+CF3COOH"	152.95602
"809595"	234.0075	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M"	0
"977660"	214.98911	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-H2O-H"	-19.01839
"64814"	154.997724	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M-3H"	-3.021828
"503641"	233.000224	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M-3H"	-3.021828
"880715"	76.995224	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-3H"	-3.021828
"54"	233.000224	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M-2H"	-2.014552
"440011"	350.003974	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M-2H"	-2.014552
"817091"	115.996474	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-2H"	-2.014552
"78664"	467.007724	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M-H"	-1.007276
"529701"	701.015224	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M-H"	-1.007276
"909691"	233.000224	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-H"	-1.007276
"61879"	484.034271	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M-2H+NH4"	16.019271
"502507"	718.041771	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M-2H+NH4"	16.019271
"879008"	250.026771	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-2H+NH4"	16.019271
"45571"	488.989666	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M-2H+Na"	20.974666
"486185"	722.997166	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M-2H+Na"	20.974666
"862325"	254.982166	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-2H+Na"	20.974666
"1633521"	254.982166	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Na-2H"	20.974666
"106199"	250.988563	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M-H+Cl"	33.962126
"549924"	367.992313	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M-H+Cl"	33.962126
"940365"	133.984813	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-H+Cl"	33.962126
"281600"	502.984402	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+Cl"	34.969402
"674995"	736.991902	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+Cl"	34.969402
"1287764"	268.976902	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Cl"	34.969402
"28132"	504.963606	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M-2H+K"	36.948606
"469515"	738.971106	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M-2H+K"	36.948606
"847319"	270.956106	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-2H+K"	36.948606
"1571242"	270.956106	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+K-2H"	36.948606
"958483"	279.005694	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-H+HCOOH"	44.998194
"376974"	513.013201	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+HCOOH-H"	44.998201
"358236"	527.028851	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+Hac-H"	59.013851
"1507191"	293.021351	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Hac-H"	59.013851
"965862"	300.987651	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-H+NaCOOH"	66.980151
"115861"	268.976902	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+2Cl"	69.938804
"555421"	385.980652	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+2Cl"	69.938804
"1027499"	151.973152	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2Cl"	69.938804
"1243800"	312.926385	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Br"	78.918885
"1307340"	314.982372	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Cl+HCOOH"	80.974872
"1331397"	336.964329	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Cl+NaCOOH"	102.956829
"918080"	346.993086	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M-H+CF3COOH"	112.985586
"1295880"	382.969764	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Cl+CF3COOH"	148.962264
"1371854"	198.994824	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H-2H2O"	-35.012676
"1383395"	217.0048	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H-H2O"	-17.0027
"282845"	469.022276	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+H"	1.007276
"684743"	703.029776	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+H"	1.007276
"1363279"	235.014776	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H"	1.007276
"133981"	235.014776	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+2H"	2.014552
"581179"	352.018526	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+2H"	2.014552
"1052310"	118.011026	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2H"	2.014552
"218630"	157.012276	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+3H"	3.021828
"658928"	235.014776	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+3H"	3.021828
"1177778"	79.009776	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+3H"	3.021828
"439114"	486.048823	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+NH4"	18.033823
"800474"	720.056323	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+NH4"	18.033823
"1696194"	252.041323	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+NH4"	18.033823
"343014"	243.5280495	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+H+NH4"	19.041099
"733612"	360.5317995	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+H+NH4"	19.041099
"1486339"	126.5242995	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H+NH4"	19.041099
"405019"	491.004218	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+Na"	22.989218
"760545"	725.011718	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+Na"	22.989218
"1615938"	256.996718	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Na"	22.989218
"327433"	246.005747	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+H+Na"	23.996494
"720223"	363.009497	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+H+Na"	23.996494
"1473673"	129.001997	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H+Na"	23.996494
"1059264"	86.33709	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2H+Na"	25.00377
"1260941"	267.040986	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+CH3OH+H"	33.033486
"380609"	506.978158	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+K"	38.963158
"741236"	740.985658	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+K"	38.963158
"1543657"	272.970658	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+K"	38.963158
"300102"	253.992717	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+H+K"	39.970434
"691960"	370.996467	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+H+K"	39.970434
"1445806"	136.988967	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H+K"	39.970434
"236773"	510.048826	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+ACN+H"	42.033826
"1213858"	276.041326	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+ACN+H"	42.033826
"1194374"	138.524301	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+ACN+2H"	43.041102
"188596"	512.98616	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+2Na-H"	44.97116
"629443"	746.99366	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+2Na-H"	44.97116
"1135871"	278.97866	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2Na-H"	44.97116
"186816"	256.996718	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+2Na"	45.978436
"625284"	374.000468	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+2Na"	45.978436
"1128791"	139.992968	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2Na"	45.978436
"1410128"	93.664404	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H+2Na"	46.985712
"1436775"	281.020246	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H+HCOOH"	47.012746
"230850"	262.02974	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+3H2O+2H"	56.04448
"1515632"	295.07229	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+IsoProp+H"	61.06479
"415318"	264.983688	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+Na+K"	61.952376
"782874"	381.987438	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+Na+K"	61.952376
"1675926"	147.979938	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Na+K"	61.952376
"263541"	532.030768	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+ACN+Na"	64.015768
"1236249"	298.023268	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+ACN+Na"	64.015768
"1719668"	298.046793	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+NH4+HCOOH"	64.039293
"1183926"	100.991718	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+3Na"	68.967654
"1654918"	303.002188	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Na+HCOOH"	68.994688
"159591"	544.93404	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+2K-H"	76.91904
"599026"	778.94154	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+2K-H"	76.91904
"1088036"	310.92654	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2K-H"	76.91904
"150325"	272.970658	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"2M+2K"	77.926316
"596826"	389.974408	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"3M+2K"	77.926316
"1083515"	155.966908	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2K"	77.926316
"1114781"	312.941092	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2K+H"	78.933592
"1349220"	313.028707	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+DMSO+H"	79.021207
"1021158"	317.067876	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2ACN+H"	83.060376
"1539831"	318.061508	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+IsoProp+Na+H"	84.054008
"1005255"	159.037576	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+2ACN+2H"	84.067652
"1601447"	318.976128	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+K+HCOOH"	84.968628
"1426010"	349.007638	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+H+CF3COOH"	115.000138
"1150830"	179.550851	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+3ACN+2H"	125.094202
"1701475"	366.034185	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+NH4+CF3COOH"	132.026685
"1648063"	370.98958	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+Na+CF3COOH"	136.98208
"1583712"	386.96352	"C07937"	"Riluzole"	"C8H5F3N2OS"	"234.0075"	"M+K+CF3COOH"	152.95602
"810798"	187.1128	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M"	0
"978863"	168.09441	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-H2O-H"	-19.01839
"64924"	123.734590666667	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M-3H"	-3.021828
"504481"	186.105524	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M-3H"	-3.021828
"881553"	61.3636573333333	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-3H"	-3.021828
"612"	186.105524	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M-2H"	-2.014552
"440204"	279.661924	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M-2H"	-2.014552
"817236"	92.549124	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-2H"	-2.014552
"80396"	373.218324	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M-H"	-1.007276
"526529"	560.331124	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M-H"	-1.007276
"907615"	186.105524	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-H"	-1.007276
"61868"	390.244871	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M-2H+NH4"	16.019271
"498276"	577.357671	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M-2H+NH4"	16.019271
"876078"	203.132071	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-2H+NH4"	16.019271
"44707"	395.200266	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M-2H+Na"	20.974666
"481349"	582.313066	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M-2H+Na"	20.974666
"862435"	208.087466	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-2H+Na"	20.974666
"1629781"	208.087466	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Na-2H"	20.974666
"103028"	204.093863	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M-H+Cl"	33.962126
"543681"	297.650263	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M-H+Cl"	33.962126
"938289"	110.537463	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-H+Cl"	33.962126
"281102"	409.195002	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+Cl"	34.969402
"673280"	596.307802	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+Cl"	34.969402
"1286414"	222.082202	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Cl"	34.969402
"28970"	411.174206	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M-2H+K"	36.948606
"468530"	598.287006	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M-2H+K"	36.948606
"847429"	224.061406	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-2H+K"	36.948606
"1570923"	224.061406	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+K-2H"	36.948606
"957709"	232.110994	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-H+HCOOH"	44.998194
"377008"	419.223801	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+HCOOH-H"	44.998201
"356158"	433.239451	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+Hac-H"	59.013851
"1505355"	246.126651	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Hac-H"	59.013851
"963784"	254.092951	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-H+NaCOOH"	66.980151
"114875"	222.082202	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+2Cl"	69.938804
"551522"	315.638602	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+2Cl"	69.938804
"1023601"	128.525802	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2Cl"	69.938804
"1245003"	266.031685	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Br"	78.918885
"1304897"	268.087672	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Cl+HCOOH"	80.974872
"1329319"	290.069629	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Cl+NaCOOH"	102.956829
"914910"	300.098386	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M-H+CF3COOH"	112.985586
"1292710"	336.075064	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Cl+CF3COOH"	148.962264
"1370870"	152.100124	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H-2H2O"	-35.012676
"1383991"	170.1101	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H-H2O"	-17.0027
"283919"	375.232876	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+H"	1.007276
"676590"	562.345676	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+H"	1.007276
"1355734"	188.120076	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H"	1.007276
"130811"	188.120076	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+2H"	2.014552
"580949"	281.676476	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+2H"	2.014552
"1051083"	94.563676	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2H"	2.014552
"215459"	125.749142666667	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+3H"	3.021828
"657575"	188.120076	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+3H"	3.021828
"1174606"	63.3782093333333	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+3H"	3.021828
"439346"	392.259423	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+NH4"	18.033823
"799972"	579.372223	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+NH4"	18.033823
"1695575"	205.146623	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+NH4"	18.033823
"340207"	196.6333495	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+H+NH4"	19.041099
"733721"	290.1897495	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+H+NH4"	19.041099
"1487542"	103.0769495	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H+NH4"	19.041099
"405128"	397.214818	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+Na"	22.989218
"761748"	584.327618	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+Na"	22.989218
"1609848"	210.102018	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Na"	22.989218
"325352"	199.111047	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+H+Na"	23.996494
"718510"	292.667447	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+H+Na"	23.996494
"1467220"	105.554647	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H+Na"	23.996494
"1056092"	70.7055233333333	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2H+Na"	25.00377
"1263238"	220.146286	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+CH3OH+H"	33.033486
"379258"	413.188758	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+K"	38.963158
"739887"	600.301558	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+K"	38.963158
"1540849"	226.075958	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+K"	38.963158
"298649"	207.098017	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+H+K"	39.970434
"691659"	300.654417	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+H+K"	39.970434
"1445802"	113.541617	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H+K"	39.970434
"236110"	416.259426	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+ACN+H"	42.033826
"1210518"	229.146626	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+ACN+H"	42.033826
"1194602"	115.076951	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+ACN+2H"	43.041102
"189261"	419.19676	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+2Na-H"	44.97116
"630646"	606.30956	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+2Na-H"	44.97116
"1134523"	232.08396	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2Na-H"	44.97116
"179635"	210.102018	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+2Na"	45.978436
"620290"	303.658418	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+2Na"	45.978436
"1124526"	116.545618	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2Na"	45.978436
"1406955"	78.0328373333333	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H+2Na"	46.985712
"1437978"	234.125546	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H+HCOOH"	47.012746
"223296"	215.13504	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+3H2O+2H"	56.04448
"1513551"	248.17759	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+IsoProp+H"	61.06479
"412148"	218.088988	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+Na+K"	61.952376
"776424"	311.645388	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+Na+K"	61.952376
"1674943"	124.532588	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Na+K"	61.952376
"258184"	438.241368	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+ACN+Na"	64.015768
"1229799"	251.128568	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+ACN+Na"	64.015768
"1716494"	251.152093	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+NH4+HCOOH"	64.039293
"1180025"	85.3601513333333	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+3Na"	68.967654
"1649866"	256.107488	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Na+HCOOH"	68.994688
"157262"	451.14464	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+2K-H"	76.91904
"597348"	638.25744	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+2K-H"	76.91904
"1084498"	264.03184	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2K-H"	76.91904
"141516"	226.075958	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"2M+2K"	77.926316
"596974"	319.632358	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"3M+2K"	77.926316
"1081072"	132.519558	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2K"	77.926316
"1114891"	266.046392	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2K+H"	78.933592
"1350059"	266.134007	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+DMSO+H"	79.021207
"1021023"	270.173176	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2ACN+H"	83.060376
"1539149"	271.166808	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+IsoProp+Na+H"	84.054008
"1005359"	135.590226	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+2ACN+2H"	84.067652
"1602408"	272.081428	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+K+HCOOH"	84.968628
"1423933"	302.112938	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+H+CF3COOH"	115.000138
"1151303"	156.103501	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+3ACN+2H"	125.094202
"1700491"	319.139485	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+NH4+CF3COOH"	132.026685
"1648173"	324.09488	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+Na+CF3COOH"	136.98208
"1583822"	340.06882	"C07939"	"Amantadine hydrochloride"	"C10H17NHCl"	"187.1128"	"M+K+CF3COOH"	152.95602
"812002"	311.2249	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M"	0
"977880"	292.20651	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-H2O-H"	-19.01839
"68315"	206.475990666667	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M-3H"	-3.021828
"503618"	310.217624	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M-3H"	-3.021828
"882393"	102.734357333333	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-3H"	-3.021828
"959"	310.217624	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M-2H"	-2.014552
"440441"	465.830074	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M-2H"	-2.014552
"817592"	154.605174	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-2H"	-2.014552
"80507"	621.442524	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M-H"	-1.007276
"524453"	932.667424	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M-H"	-1.007276
"907725"	310.217624	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-H"	-1.007276
"62346"	638.469071	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M-2H+NH4"	16.019271
"498386"	949.693971	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M-2H+NH4"	16.019271
"877769"	327.244171	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-2H+NH4"	16.019271
"42994"	643.424466	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M-2H+Na"	20.974666
"480366"	954.649366	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M-2H+Na"	20.974666
"859264"	332.199566	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-2H+Na"	20.974666
"1629891"	332.199566	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Na-2H"	20.974666
"106419"	328.205963	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M-H+Cl"	33.962126
"541605"	483.818413	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M-H+Cl"	33.962126
"934025"	172.593513	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-H+Cl"	33.962126
"276955"	657.419202	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+Cl"	34.969402
"674000"	968.644102	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+Cl"	34.969402
"1286402"	346.194302	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Cl"	34.969402
"28350"	659.398406	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M-2H+K"	36.948606
"468275"	970.623306	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M-2H+K"	36.948606
"846811"	348.173506	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-2H+K"	36.948606
"1570913"	348.173506	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+K-2H"	36.948606
"958146"	356.223094	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-H+HCOOH"	44.998194
"376927"	667.448001	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+HCOOH-H"	44.998201
"358092"	681.463651	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+Hac-H"	59.013851
"1506924"	370.238751	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Hac-H"	59.013851
"966081"	378.205051	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-H+NaCOOH"	66.980151
"116079"	346.194302	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+2Cl"	69.938804
"551632"	501.806752	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+2Cl"	69.938804
"1022618"	190.581852	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2Cl"	69.938804
"1242925"	390.143785	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Br"	78.918885
"1307560"	392.199772	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Cl+HCOOH"	80.974872
"1326149"	414.181729	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Cl+NaCOOH"	102.956829
"914290"	424.210486	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M-H+CF3COOH"	112.985586
"1293184"	460.187164	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Cl+CF3COOH"	148.962264
"1372074"	276.212224	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H-2H2O"	-35.012676
"1386289"	294.2222	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H-H2O"	-17.0027
"285974"	623.457076	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+H"	1.007276
"682776"	934.681976	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+H"	1.007276
"1359125"	312.232176	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H"	1.007276
"130921"	312.232176	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+2H"	2.014552
"578509"	467.844626	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+2H"	2.014552
"1049494"	156.619726	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2H"	2.014552
"213746"	208.490542666667	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+3H"	3.021828
"658416"	312.232176	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+3H"	3.021828
"1173988"	104.748909333333	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+3H"	3.021828
"439697"	640.483623	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+NH4"	18.033823
"798989"	951.708523	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+NH4"	18.033823
"1695321"	329.258723	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+NH4"	18.033823
"340318"	320.7454495	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+H+NH4"	19.041099
"732739"	476.3578995	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+H+NH4"	19.041099
"1486559"	165.1329995	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H+NH4"	19.041099
"404145"	645.439018	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+Na"	22.989218
"760765"	956.663918	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+Na"	22.989218
"1609958"	334.214118	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Na"	22.989218
"322182"	323.223147	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+H+Na"	23.996494
"719709"	478.835597	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+H+Na"	23.996494
"1467332"	167.610697	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H+Na"	23.996494
"1056202"	112.076223333333	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2H+Na"	25.00377
"1261162"	344.258386	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+CH3OH+H"	33.033486
"380826"	661.412958	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+K"	38.963158
"742914"	972.637858	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+K"	38.963158
"1541810"	350.188058	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+K"	38.963158
"299103"	331.210117	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+H+K"	39.970434
"692867"	486.822567	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+H+K"	39.970434
"1445912"	175.597667	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H+K"	39.970434
"237233"	664.483626	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+ACN+H"	42.033826
"1211765"	353.258726	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+ACN+H"	42.033826
"1196011"	177.133001	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+ACN+2H"	43.041102
"191191"	667.42096	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+2Na-H"	44.97116
"630386"	978.64586	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+2Na-H"	44.97116
"1134633"	356.19606	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2Na-H"	44.97116
"178652"	334.214118	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+2Na"	45.978436
"617119"	489.826568	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+2Na"	45.978436
"1125730"	178.601668	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2Na"	45.978436
"1405972"	119.403537333333	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H+2Na"	46.985712
"1435902"	358.237646	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H+HCOOH"	47.012746
"224500"	339.24714	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+3H2O+2H"	56.04448
"1516941"	372.28969	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+IsoProp+H"	61.06479
"411164"	342.201088	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+Na+K"	61.952376
"772523"	497.813538	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+Na+K"	61.952376
"1669949"	186.588638	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Na+K"	61.952376
"253549"	686.465568	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+ACN+Na"	64.015768
"1229175"	375.240668	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+ACN+Na"	64.015768
"1716239"	375.264193	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+NH4+HCOOH"	64.039293
"1179352"	126.730851333333	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+3Na"	68.967654
"1650641"	380.219588	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Na+HCOOH"	68.994688
"160907"	699.36884	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+2K-H"	76.91904
"598279"	1010.59374	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+2K-H"	76.91904
"1084603"	388.14394	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2K-H"	76.91904
"141533"	350.188058	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"2M+2K"	77.926316
"596841"	505.800508	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"3M+2K"	77.926316
"1081061"	194.575608	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2K"	77.926316
"1114759"	390.158492	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2K+H"	78.933592
"1349561"	390.246107	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+DMSO+H"	79.021207
"1017848"	394.285276	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2ACN+H"	83.060376
"1537436"	395.278908	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+IsoProp+Na+H"	84.054008
"1005616"	197.646276	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+2ACN+2H"	84.067652
"1601667"	396.193528	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+K+HCOOH"	84.968628
"1426230"	426.225038	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+H+CF3COOH"	115.000138
"1153235"	218.159551	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+3ACN+2H"	125.094202
"1700601"	443.251585	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+NH4+CF3COOH"	132.026685
"1648283"	448.20698	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+Na+CF3COOH"	136.98208
"1583932"	464.18092	"C07941"	"Biperiden"	"C21H29NO"	"311.2249"	"M+K+CF3COOH"	152.95602
"813205"	305.1012	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M"	0
"980176"	286.08281	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-H2O-H"	-19.01839
"69518"	202.393524	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M-3H"	-3.021828
"505795"	304.093924	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M-3H"	-3.021828
"881773"	100.693124	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-3H"	-3.021828
"829"	304.093924	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M-2H"	-2.014552
"440391"	456.644524	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M-2H"	-2.014552
"817705"	151.543324	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-2H"	-2.014552
"79398"	609.195124	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M-H"	-1.007276
"527842"	914.296324	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M-H"	-1.007276
"909780"	304.093924	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-H"	-1.007276
"61604"	626.221671	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M-2H+NH4"	16.019271
"496310"	931.322871	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M-2H+NH4"	16.019271
"877271"	321.120471	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-2H+NH4"	16.019271
"44076"	631.177066	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M-2H+Na"	20.974666
"480476"	936.278266	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M-2H+Na"	20.974666
"856094"	326.075866	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-2H+Na"	20.974666
"1623439"	326.075866	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Na-2H"	20.974666
"101061"	322.082263	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M-H+Cl"	33.962126
"543901"	474.632863	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M-H+Cl"	33.962126
"938508"	169.531663	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-H+Cl"	33.962126
"270503"	645.171802	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+Cl"	34.969402
"672767"	950.273002	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+Cl"	34.969402
"1285171"	340.070602	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Cl"	34.969402
"23353"	647.151006	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M-2H+K"	36.948606
"466194"	952.252206	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M-2H+K"	36.948606
"845823"	342.049806	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-2H+K"	36.948606
"1570043"	342.049806	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+K-2H"	36.948606
"956465"	350.099394	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-H+HCOOH"	44.998194
"375775"	655.200601	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+HCOOH-H"	44.998201
"360632"	669.216251	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+Hac-H"	59.013851
"1497556"	364.115051	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Hac-H"	59.013851
"962911"	372.081351	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-H+NaCOOH"	66.980151
"114002"	340.070602	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+2Cl"	69.938804
"552471"	492.621202	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+2Cl"	69.938804
"1025640"	187.520002	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2Cl"	69.938804
"1246314"	384.020085	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Br"	78.918885
"1307669"	386.076072	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Cl+HCOOH"	80.974872
"1325165"	408.058029	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Cl+NaCOOH"	102.956829
"914399"	418.086786	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M-H+CF3COOH"	112.985586
"1296210"	454.063464	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Cl+CF3COOH"	148.962264
"1369997"	270.088524	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H-2H2O"	-35.012676
"1386400"	288.0985	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H-H2O"	-17.0027
"283899"	611.209676	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+H"	1.007276
"686166"	916.310876	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+H"	1.007276
"1361422"	306.108476	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H"	1.007276
"131031"	306.108476	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+2H"	2.014552
"581169"	458.659076	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+2H"	2.014552
"1051791"	153.557876	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2H"	2.014552
"219964"	204.408076	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+3H"	3.021828
"658890"	306.108476	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+3H"	3.021828
"1174462"	102.707676	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+3H"	3.021828
"439916"	628.236223	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+NH4"	18.033823
"801357"	933.337423	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+NH4"	18.033823
"1696811"	323.135023	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+NH4"	18.033823
"340426"	314.6217495	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+H+NH4"	19.041099
"735033"	467.1723495	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+H+NH4"	19.041099
"1482289"	162.0711495	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H+NH4"	19.041099
"395867"	633.191618	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+Na"	22.989218
"763061"	938.292818	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+Na"	22.989218
"1610068"	328.090418	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Na"	22.989218
"322292"	317.099447	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+H+Na"	23.996494
"720182"	469.650047	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+H+Na"	23.996494
"1469628"	164.548847	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H+Na"	23.996494
"1056312"	110.03499	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2H+Na"	25.00377
"1261272"	338.134686	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+CH3OH+H"	33.033486
"379843"	649.165558	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+K"	38.963158
"740108"	954.266758	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+K"	38.963158
"1542893"	344.064358	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+K"	38.963158
"300431"	325.086417	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+H+K"	39.970434
"691719"	477.637017	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+H+K"	39.970434
"1445982"	172.535817	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H+K"	39.970434
"237829"	652.236226	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+ACN+H"	42.033826
"1212117"	347.135026	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+ACN+H"	42.033826
"1196607"	174.071151	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+ACN+2H"	43.041102
"190330"	655.17356	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+2Na-H"	44.97116
"630132"	960.27476	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+2Na-H"	44.97116
"1135836"	350.07236	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2Na-H"	44.97116
"180948"	328.090418	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+2Na"	45.978436
"617229"	480.641018	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+2Na"	45.978436
"1120736"	175.539818	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2Na"	45.978436
"1402434"	117.362304	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H+2Na"	46.985712
"1435279"	352.113946	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H+HCOOH"	47.012746
"223880"	333.12344	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+3H2O+2H"	56.04448
"1518144"	366.16599	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+IsoProp+H"	61.06479
"410902"	336.077388	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+Na+K"	61.952376
"773727"	488.627988	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+Na+K"	61.952376
"1673702"	183.526788	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Na+K"	61.952376
"255118"	674.218168	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+ACN+Na"	64.015768
"1227826"	369.116968	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+ACN+Na"	64.015768
"1715254"	369.140493	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+NH4+HCOOH"	64.039293
"1178613"	124.689618	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+3Na"	68.967654
"1651358"	374.095888	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Na+HCOOH"	68.994688
"162110"	687.12144	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+2K-H"	76.91904
"599117"	992.22264	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+2K-H"	76.91904
"1084391"	382.02024	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2K-H"	76.91904
"142134"	344.064358	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"2M+2K"	77.926316
"596955"	496.614958	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"3M+2K"	77.926316
"1081292"	191.513758	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2K"	77.926316
"1114627"	384.034792	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2K+H"	78.933592
"1346512"	384.122407	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+DMSO+H"	79.021207
"1017229"	388.161576	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2ACN+H"	83.060376
"1538885"	389.155208	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+IsoProp+Na+H"	84.054008
"1005336"	194.584426	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+2ACN+2H"	84.067652
"1601656"	390.069828	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+K+HCOOH"	84.968628
"1426340"	420.101338	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+H+CF3COOH"	115.000138
"1153345"	215.097701	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+3ACN+2H"	125.094202
"1701804"	437.127885	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+NH4+CF3COOH"	132.026685
"1648393"	442.08328	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+Na+CF3COOH"	136.98208
"1584042"	458.05722	"C07943"	"Entacapone"	"C14H15N3O5"	"305.1012"	"M+K+CF3COOH"	152.95602
"804568"	273.0637	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M"	0
"982479"	254.04531	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-H2O-H"	-19.01839
"66344"	181.035190666667	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M-3H"	-3.021828
"503839"	272.056424	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M-3H"	-3.021828
"880422"	90.0139573333333	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-3H"	-3.021828
"1184"	272.056424	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M-2H"	-2.014552
"440746"	408.588274	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M-2H"	-2.014552
"818915"	135.524574	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-2H"	-2.014552
"94026"	545.120124	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M-H"	-1.007276
"534039"	818.183824	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M-H"	-1.007276
"910630"	272.056424	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-H"	-1.007276
"61111"	562.146671	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M-2H+NH4"	16.019271
"497513"	835.210371	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M-2H+NH4"	16.019271
"873127"	289.082971	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-2H+NH4"	16.019271
"46253"	567.102066	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M-2H+Na"	20.974666
"486303"	840.165766	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M-2H+Na"	20.974666
"862764"	294.038366	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-2H+Na"	20.974666
"1630110"	294.038366	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Na-2H"	20.974666
"103358"	290.044763	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M-H+Cl"	33.962126
"548385"	426.576613	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M-H+Cl"	33.962126
"937524"	153.512913	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-H+Cl"	33.962126
"268911"	581.096802	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+Cl"	34.969402
"671785"	854.160502	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+Cl"	34.969402
"1277626"	308.033102	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Cl"	34.969402
"23463"	583.076006	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M-2H+K"	36.948606
"463024"	856.139706	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M-2H+K"	36.948606
"847753"	310.012306	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-2H+K"	36.948606
"1566507"	310.012306	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+K-2H"	36.948606
"957304"	318.061894	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-H+HCOOH"	44.998194
"377066"	591.125601	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+HCOOH-H"	44.998201
"353207"	605.141251	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+Hac-H"	59.013851
"1495843"	332.077551	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Hac-H"	59.013851
"960834"	340.043851	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-H+NaCOOH"	66.980151
"114113"	308.033102	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+2Cl"	69.938804
"553672"	444.564952	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+2Cl"	69.938804
"1023564"	171.501252	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2Cl"	69.938804
"1245330"	351.982585	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Br"	78.918885
"1309965"	354.038572	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Cl+HCOOH"	80.974872
"1321629"	376.020529	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Cl+NaCOOH"	102.956829
"918519"	386.049286	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M-H+CF3COOH"	112.985586
"1292311"	422.025964	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Cl+CF3COOH"	148.962264
"1369011"	238.051024	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H-2H2O"	-35.012676
"1383228"	256.061	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H-H2O"	-17.0027
"285469"	547.134676	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+H"	1.007276
"686276"	820.198376	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+H"	1.007276
"1359344"	274.070976	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H"	1.007276
"132233"	274.070976	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+2H"	2.014552
"576169"	410.602826	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+2H"	2.014552
"1047155"	137.539126	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2H"	2.014552
"207771"	183.049742666667	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+3H"	3.021828
"649516"	274.070976	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+3H"	3.021828
"1169468"	92.0285093333333	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+3H"	3.021828
"435658"	564.161223	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+NH4"	18.033823
"800666"	837.224923	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+NH4"	18.033823
"1695903"	291.097523	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+NH4"	18.033823
"344910"	282.5842495	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+H+NH4"	19.041099
"735143"	419.1160995	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+H+NH4"	19.041099
"1481671"	146.0523995	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H+NH4"	19.041099
"405460"	569.116618	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+Na"	22.989218
"759892"	842.180318	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+Na"	22.989218
"1610178"	296.052918	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Na"	22.989218
"322403"	285.061947	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+H+Na"	23.996494
"717012"	421.593797	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+H+Na"	23.996494
"1467550"	148.530097	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H+Na"	23.996494
"1058609"	99.3558233333333	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2H+Na"	25.00377
"1263567"	306.097186	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+CH3OH+H"	33.033486
"379954"	585.090558	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+K"	38.963158
"739406"	858.154258	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+K"	38.963158
"1540285"	312.026858	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+K"	38.963158
"300547"	293.048917	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+H+K"	39.970434
"692599"	429.580767	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+H+K"	39.970434
"1446056"	156.517067	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H+K"	39.970434
"236603"	588.161226	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+ACN+H"	42.033826
"1212469"	315.097526	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+ACN+H"	42.033826
"1194606"	158.052401	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+ACN+2H"	43.041102
"191411"	591.09856	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+2Na-H"	44.97116
"632802"	864.16226	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+2Na-H"	44.97116
"1133393"	318.03486	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2Na-H"	44.97116
"175954"	296.052918	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+2Na"	45.978436
"615515"	432.584768	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+2Na"	45.978436
"1124852"	159.521068	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2Na"	45.978436
"1401449"	106.683137333333	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H+2Na"	46.985712
"1436122"	320.076446	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H+HCOOH"	47.012746
"224726"	301.08594	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+3H2O+2H"	56.04448
"1510596"	334.12849	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+IsoProp+H"	61.06479
"411014"	304.039888	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+Na+K"	61.952376
"771644"	440.571738	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+Na+K"	61.952376
"1670532"	167.508038	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Na+K"	61.952376
"253042"	610.143168	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+ACN+Na"	64.015768
"1227205"	337.079468	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+ACN+Na"	64.015768
"1715001"	337.102993	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+NH4+HCOOH"	64.039293
"1179384"	114.010451333333	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+3Na"	68.967654
"1650494"	342.058388	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Na+HCOOH"	68.994688
"158206"	623.04644	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+2K-H"	76.91904
"599227"	896.11014	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+2K-H"	76.91904
"1085439"	349.98274	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2K-H"	76.91904
"155998"	312.026858	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"2M+2K"	77.926316
"596783"	448.558708	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"3M+2K"	77.926316
"1083712"	175.495008	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2K"	77.926316
"1113519"	351.997292	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2K+H"	78.933592
"1346622"	352.084907	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+DMSO+H"	79.021207
"1021074"	356.124076	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2ACN+H"	83.060376
"1539490"	357.117708	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+IsoProp+Na+H"	84.054008
"1005330"	178.565676	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+2ACN+2H"	84.067652
"1602255"	358.032328	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+K+HCOOH"	84.968628
"1427181"	388.063838	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+H+CF3COOH"	115.000138
"1154549"	199.078951	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+3ACN+2H"	125.094202
"1700822"	405.090385	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+NH4+CF3COOH"	132.026685
"1646316"	410.04578	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+Na+CF3COOH"	136.98208
"1584153"	426.01972	"C07949"	"Tolcapone"	"C14H11NO5"	"273.0637"	"M+K+CF3COOH"	152.95602
"807958"	354.0724	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M"	0
"980402"	335.05401	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-H2O-H"	-19.01839
"64268"	235.040990666667	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M-3H"	-3.021828
"503463"	353.065124	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M-3H"	-3.021828
"880248"	117.016857333333	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-3H"	-3.021828
"319"	353.065124	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M-2H"	-2.014552
"441948"	530.101324	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M-2H"	-2.014552
"817930"	176.028924	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-2H"	-2.014552
"88505"	707.137524	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M-H"	-1.007276
"532809"	1061.209924	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M-H"	-1.007276
"909523"	353.065124	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-H"	-1.007276
"58061"	724.164071	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M-2H+NH4"	16.019271
"497623"	1078.236471	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M-2H+NH4"	16.019271
"873237"	370.091671	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-2H+NH4"	16.019271
"41137"	729.119466	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M-2H+Na"	20.974666
"485438"	1083.191866	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M-2H+Na"	20.974666
"860688"	375.047066	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-2H+Na"	20.974666
"1630220"	375.047066	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Na-2H"	20.974666
"103468"	371.053463	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M-H+Cl"	33.962126
"549467"	548.089663	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M-H+Cl"	33.962126
"935448"	194.017263	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-H+Cl"	33.962126
"270723"	743.114202	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+Cl"	34.969402
"671895"	1097.186602	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+Cl"	34.969402
"1277736"	389.041802	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Cl"	34.969402
"22480"	745.093406	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M-2H+K"	36.948606
"463134"	1099.165806	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M-2H+K"	36.948606
"847499"	391.021006	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-2H+K"	36.948606
"1567710"	391.021006	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+K-2H"	36.948606
"957414"	399.070594	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-H+HCOOH"	44.998194
"374537"	753.143001	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+HCOOH-H"	44.998201
"353317"	767.158651	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+Hac-H"	59.013851
"1494494"	413.086251	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Hac-H"	59.013851
"960578"	421.052551	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-H+NaCOOH"	66.980151
"113129"	389.041802	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+2Cl"	69.938804
"550867"	566.078002	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+2Cl"	69.938804
"1022945"	212.005602	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2Cl"	69.938804
"1244346"	432.991285	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Br"	78.918885
"1306795"	435.047272	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Cl+HCOOH"	80.974872
"1330852"	457.029229	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Cl+NaCOOH"	102.956829
"924096"	467.057986	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M-H+CF3COOH"	112.985586
"1296430"	503.034664	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Cl+CF3COOH"	148.962264
"1370217"	319.059724	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H-2H2O"	-35.012676
"1384433"	337.0697	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H-H2O"	-17.0027
"284851"	709.152076	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+H"	1.007276
"686386"	1063.224476	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+H"	1.007276
"1359454"	355.079676	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H"	1.007276
"128332"	355.079676	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+2H"	2.014552
"574092"	532.115876	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+2H"	2.014552
"1047264"	178.043476	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2H"	2.014552
"207515"	237.055542666667	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+3H"	3.021828
"647804"	355.079676	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+3H"	3.021828
"1169578"	119.031409333333	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+3H"	3.021828
"431757"	726.178623	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+NH4"	18.033823
"795673"	1080.251023	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+NH4"	18.033823
"1692367"	372.106223	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+NH4"	18.033823
"340645"	363.5929495	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+H+NH4"	19.041099
"731972"	540.6291495	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+H+NH4"	19.041099
"1480323"	186.5567495	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H+NH4"	19.041099
"404476"	731.134018	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+Na"	22.989218
"762188"	1085.206418	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+Na"	22.989218
"1608101"	377.061618	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Na"	22.989218
"319232"	366.070647	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+H+Na"	23.996494
"716028"	543.106847	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+H+Na"	23.996494
"1466567"	189.034447	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H+Na"	23.996494
"1055803"	126.358723333333	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2H+Na"	25.00377
"1262584"	387.105886	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+CH3OH+H"	33.033486
"381158"	747.107958	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+K"	38.963158
"738665"	1101.180358	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+K"	38.963158
"1540557"	393.035558	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+K"	38.963158
"298570"	374.057617	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+H+K"	39.970434
"693077"	551.093817	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+H+K"	39.970434
"1445622"	197.021417	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H+K"	39.970434
"237684"	750.178626	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+ACN+H"	42.033826
"1211121"	396.106226	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+ACN+H"	42.033826
"1194310"	198.556751	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+ACN+2H"	43.041102
"188842"	753.11596	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+2Na-H"	44.97116
"631447"	1107.18836	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+2Na-H"	44.97116
"1133865"	399.04356	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2Na-H"	44.97116
"175089"	377.061618	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+2Na"	45.978436
"615256"	554.097818	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+2Na"	45.978436
"1119858"	200.025418	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2Na"	45.978436
"1401311"	133.686037333333	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H+2Na"	46.985712
"1437325"	401.085146	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H+HCOOH"	47.012746
"223375"	382.09464	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+3H2O+2H"	56.04448
"1509611"	415.13719	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+IsoProp+H"	61.06479
"410758"	385.048588	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+Na+K"	61.952376
"771023"	562.084788	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+Na+K"	61.952376
"1667357"	208.012388	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Na+K"	61.952376
"253877"	772.160568	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+ACN+Na"	64.015768
"1227073"	418.088168	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+ACN+Na"	64.015768
"1714014"	418.111693	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+NH4+HCOOH"	64.039293
"1179740"	141.013351333333	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+3Na"	68.967654
"1650064"	423.067088	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Na+HCOOH"	68.994688
"157424"	785.06384	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+2K-H"	76.91904
"597264"	1139.13624	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+2K-H"	76.91904
"1084576"	430.99144	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2K-H"	76.91904
"154767"	393.035558	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"2M+2K"	77.926316
"596766"	570.071758	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"3M+2K"	77.926316
"1081512"	215.999358	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2K"	77.926316
"1113629"	433.005992	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2K+H"	78.933592
"1345639"	433.093607	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+DMSO+H"	79.021207
"1021306"	437.132776	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2ACN+H"	83.060376
"1539718"	438.126408	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+IsoProp+Na+H"	84.054008
"1005194"	219.070026	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+2ACN+2H"	84.067652
"1602631"	439.041028	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+K+HCOOH"	84.968628
"1428384"	469.072538	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+H+CF3COOH"	115.000138
"1153566"	239.583301	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+3ACN+2H"	125.094202
"1700932"	486.099085	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+NH4+CF3COOH"	132.026685
"1646426"	491.05448	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+Na+CF3COOH"	136.98208
"1584263"	507.02842	"C07952"	"Chlorpromazine hydrochloride;Chloropromazine monohydrochloride"	"C17H19ClN2SHCl"	"354.0724"	"M+K+CF3COOH"	152.95602
"805881"	315.0848	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M"	0
"981606"	296.06641	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-H2O-H"	-19.01839
"67659"	209.049257333333	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M-3H"	-3.021828
"505033"	314.077524	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M-3H"	-3.021828
"881740"	104.020990666667	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-3H"	-3.021828
"3591"	314.077524	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M-2H"	-2.014552
"443153"	471.619924	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M-2H"	-2.014552
"818403"	156.535124	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-2H"	-2.014552
"89708"	629.162324	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M-H"	-1.007276
"532195"	944.247124	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M-H"	-1.007276
"908539"	314.077524	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-H"	-1.007276
"59994"	646.188871	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M-2H+NH4"	16.019271
"499194"	961.273671	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M-2H+NH4"	16.019271
"875534"	331.104071	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-2H+NH4"	16.019271
"44893"	651.144266	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M-2H+Na"	20.974666
"485428"	966.229066	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M-2H+Na"	20.974666
"859704"	336.059466	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-2H+Na"	20.974666
"1630330"	336.059466	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Na-2H"	20.974666
"105765"	332.065863	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M-H+Cl"	33.962126
"549174"	489.608263	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M-H+Cl"	33.962126
"935558"	174.523463	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-H+Cl"	33.962126
"270833"	665.139002	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+Cl"	34.969402
"672005"	980.223802	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+Cl"	34.969402
"1277846"	350.054202	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Cl"	34.969402
"23683"	667.118206	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M-2H+K"	36.948606
"463244"	982.203006	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M-2H+K"	36.948606
"847609"	352.033406	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-2H+K"	36.948606
"1568913"	352.033406	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+K-2H"	36.948606
"957769"	360.082994	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-H+HCOOH"	44.998194
"371731"	675.167801	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+HCOOH-H"	44.998201
"349053"	689.183451	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+Hac-H"	59.013851
"1495699"	374.098651	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Hac-H"	59.013851
"960688"	382.064951	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-H+NaCOOH"	66.980151
"112509"	350.054202	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+2Cl"	69.938804
"552069"	507.596602	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+2Cl"	69.938804
"1024876"	192.511802	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2Cl"	69.938804
"1242634"	394.003685	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Br"	78.918885
"1304432"	396.059672	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Cl+HCOOH"	80.974872
"1333148"	418.041629	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Cl+NaCOOH"	102.956829
"923113"	428.070386	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M-H+CF3COOH"	112.985586
"1296540"	464.047064	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Cl+CF3COOH"	148.962264
"1371420"	280.072124	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H-2H2O"	-35.012676
"1383450"	298.0821	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H-H2O"	-17.0027
"286419"	631.176876	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+H"	1.007276
"686496"	946.261676	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+H"	1.007276
"1356285"	316.092076	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H"	1.007276
"133546"	316.092076	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+2H"	2.014552
"575296"	473.634476	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+2H"	2.014552
"1045188"	158.549676	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2H"	2.014552
"207260"	211.063809333333	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+3H"	3.021828
"649370"	316.092076	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+3H"	3.021828
"1167500"	106.035542666667	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+3H"	3.021828
"431867"	648.203423	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+NH4"	18.033823
"797240"	963.288223	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+NH4"	18.033823
"1689197"	333.118623	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+NH4"	18.033823
"338567"	324.6053495	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+H+NH4"	19.041099
"728801"	482.1477495	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+H+NH4"	19.041099
"1480432"	167.0629495	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H+NH4"	19.041099
"403489"	653.158818	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+Na"	22.989218
"763391"	968.243618	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+Na"	22.989218
"1608208"	338.074018	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Na"	22.989218
"320436"	327.083047	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+H+Na"	23.996494
"712855"	484.625447	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+H+Na"	23.996494
"1464488"	169.540647	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H+Na"	23.996494
"1053600"	113.362856666667	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2H+Na"	25.00377
"1260502"	348.118286	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+CH3OH+H"	33.033486
"380169"	669.132758	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+K"	38.963158
"740071"	984.217558	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+K"	38.963158
"1541026"	354.047958	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+K"	38.963158
"298770"	335.070017	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+H+K"	39.970434
"692455"	492.612417	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+H+K"	39.970434
"1445710"	177.527617	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H+K"	39.970434
"235716"	672.203426	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+ACN+H"	42.033826
"1210131"	357.118626	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+ACN+H"	42.033826
"1194202"	179.062951	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+ACN+2H"	43.041102
"188745"	675.14076	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+2Na-H"	44.97116
"628525"	990.22556	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+2Na-H"	44.97116
"1133240"	360.05596	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2Na-H"	44.97116
"175806"	338.074018	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+2Na"	45.978436
"616096"	495.616418	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+2Na"	45.978436
"1118144"	180.531618	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2Na"	45.978436
"1400570"	120.690170666667	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H+2Na"	46.985712
"1437435"	362.097546	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H+HCOOH"	47.012746
"223486"	343.10704	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+3H2O+2H"	56.04448
"1510456"	376.14959	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+IsoProp+H"	61.06479
"411233"	346.060988	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+Na+K"	61.952376
"772227"	503.603388	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+Na+K"	61.952376
"1667464"	188.518588	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Na+K"	61.952376
"253263"	694.185368	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+ACN+Na"	64.015768
"1227061"	379.100568	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+ACN+Na"	64.015768
"1714852"	379.124093	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+NH4+HCOOH"	64.039293
"1180938"	128.017484666667	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+3Na"	68.967654
"1650221"	384.079488	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Na+HCOOH"	68.994688
"157447"	707.08864	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+2K-H"	76.91904
"598107"	1022.17344	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+2K-H"	76.91904
"1084928"	392.00384	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2K-H"	76.91904
"147707"	354.047958	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"2M+2K"	77.926316
"592739"	511.590358	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"3M+2K"	77.926316
"1079436"	196.505558	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2K"	77.926316
"1112646"	394.018392	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2K+H"	78.933592
"1346842"	394.106007	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+DMSO+H"	79.021207
"1020237"	398.145176	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2ACN+H"	83.060376
"1539338"	399.138808	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+IsoProp+Na+H"	84.054008
"1005175"	199.576226	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+2ACN+2H"	84.067652
"1601012"	400.053428	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+K+HCOOH"	84.968628
"1425575"	430.084938	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+H+CF3COOH"	115.000138
"1149303"	220.089501	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+3ACN+2H"	125.094202
"1701042"	447.111485	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+NH4+CF3COOH"	132.026685
"1646536"	452.06688	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+Na+CF3COOH"	136.98208
"1584373"	468.04082	"C07953"	"Chlorprothixene"	"C18H18ClNS"	"315.0848"	"M+K+CF3COOH"	152.95602
"804898"	549.2637	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M"	0
"981715"	530.24531	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-H2O-H"	-19.01839
"64000"	365.168524	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M-3H"	-3.021828
"506234"	548.256424	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M-3H"	-3.021828
"880147"	182.080624	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-3H"	-3.021828
"786"	548.256424	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M-2H"	-2.014552
"444357"	822.888274	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M-2H"	-2.014552
"818511"	273.624574	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-2H"	-2.014552
"89818"	1097.520124	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M-H"	-1.007276
"532060"	1646.783824	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M-H"	-1.007276
"907920"	548.256424	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-H"	-1.007276
"56097"	1114.546671	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M-2H+NH4"	16.019271
"496386"	1663.810371	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M-2H+NH4"	16.019271
"875280"	565.282971	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-2H+NH4"	16.019271
"43181"	1119.502066	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M-2H+Na"	20.974666
"484564"	1668.765766	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M-2H+Na"	20.974666
"859814"	570.238366	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-2H+Na"	20.974666
"1631900"	570.238366	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Na-2H"	20.974666
"108062"	566.244763	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M-H+Cl"	33.962126
"546529"	840.876613	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M-H+Cl"	33.962126
"934575"	291.612913	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-H+Cl"	33.962126
"270943"	1133.496802	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+Cl"	34.969402
"671022"	1682.760502	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+Cl"	34.969402
"1275770"	584.233102	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Cl"	34.969402
"22700"	1135.476006	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M-2H+K"	36.948606
"463354"	1684.739706	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M-2H+K"	36.948606
"845167"	586.212306	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-2H+K"	36.948606
"1570849"	586.212306	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+K-2H"	36.948606
"957966"	594.261894	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-H+HCOOH"	44.998194
"376702"	1143.525601	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+HCOOH-H"	44.998201
"361153"	1157.541251	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+Hac-H"	59.013851
"1497267"	608.277551	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Hac-H"	59.013851
"966629"	616.243851	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-H+NaCOOH"	66.980151
"119909"	584.233102	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+2Cl"	69.938804
"554003"	858.864952	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+2Cl"	69.938804
"1024988"	309.601252	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2Cl"	69.938804
"1243839"	628.182585	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Br"	78.918885
"1308109"	630.238572	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Cl+HCOOH"	80.974872
"1333258"	652.220529	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Cl+NaCOOH"	102.956829
"918848"	662.249286	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M-H+CF3COOH"	112.985586
"1296650"	698.225964	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Cl+CF3COOH"	148.962264
"1370437"	514.251024	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H-2H2O"	-35.012676
"1383923"	532.261	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H-H2O"	-17.0027
"285800"	1099.534676	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+H"	1.007276
"680045"	1648.798376	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+H"	1.007276
"1362956"	550.270976	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H"	1.007276
"132563"	550.270976	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+2H"	2.014552
"575406"	824.902826	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+2H"	2.014552
"1045298"	275.639126	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2H"	2.014552
"207004"	367.183076	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+3H"	3.021828
"650938"	550.270976	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+3H"	3.021828
"1169067"	184.095176	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+3H"	3.021828
"429790"	1116.561223	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+NH4"	18.033823
"799537"	1665.824923	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+NH4"	18.033823
"1686027"	567.297523	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+NH4"	18.033823
"338677"	558.7842495	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+H+NH4"	19.041099
"728911"	833.4160995	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+H+NH4"	19.041099
"1480542"	284.1523995	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H+NH4"	19.041099
"400319"	1121.516618	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+Na"	22.989218
"760221"	1670.780318	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+Na"	22.989218
"1606132"	572.252918	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Na"	22.989218
"316167"	561.261947	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+H+Na"	23.996494
"715152"	835.893797	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+H+Na"	23.996494
"1464598"	286.630097	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H+Na"	23.996494
"1054561"	191.42249	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2H+Na"	25.00377
"1262797"	582.297186	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+CH3OH+H"	33.033486
"381372"	1137.490558	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+K"	38.963158
"740909"	1686.754258	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+K"	38.963158
"1540773"	588.226858	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+K"	38.963158
"298722"	569.248917	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+H+K"	39.970434
"691586"	843.880767	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+H+K"	39.970434
"1446051"	294.617067	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H+K"	39.970434
"236440"	1140.561226	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+ACN+H"	42.033826
"1210725"	591.297526	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+ACN+H"	42.033826
"1194728"	296.152401	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+ACN+2H"	43.041102
"189542"	1143.49856	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+2Na-H"	44.97116
"629589"	1692.76226	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+2Na-H"	44.97116
"1134079"	594.23486	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2Na-H"	44.97116
"175916"	572.252918	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+2Na"	45.978436
"614748"	846.884768	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+2Na"	45.978436
"1117890"	297.621068	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2Na"	45.978436
"1400679"	198.749804	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H+2Na"	46.985712
"1436451"	596.276446	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H+HCOOH"	47.012746
"222501"	577.28594	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+3H2O+2H"	56.04448
"1510933"	610.32849	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+IsoProp+H"	61.06479
"410617"	580.239888	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+Na+K"	61.952376
"771974"	854.871738	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+Na+K"	61.952376
"1667211"	305.608038	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Na+K"	61.952376
"254098"	1162.543168	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+ACN+Na"	64.015768
"1227171"	613.279468	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+ACN+Na"	64.015768
"1713869"	613.302993	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+NH4+HCOOH"	64.039293
"1178505"	206.077118	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+3Na"	68.967654
"1649979"	618.258388	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Na+HCOOH"	68.994688
"157160"	1175.44644	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+2K-H"	76.91904
"597166"	1724.71014	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+2K-H"	76.91904
"1086255"	626.18274	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2K-H"	76.91904
"150004"	588.226858	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"2M+2K"	77.926316
"593942"	862.858708	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"3M+2K"	77.926316
"1081732"	313.595008	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2K"	77.926316
"1113728"	628.197292	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2K+H"	78.933592
"1343672"	628.284907	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+DMSO+H"	79.021207
"1019739"	632.324076	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2ACN+H"	83.060376
"1539763"	633.317708	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+IsoProp+Na+H"	84.054008
"1004799"	316.665676	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+2ACN+2H"	84.067652
"1601487"	634.232328	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+K+HCOOH"	84.968628
"1425685"	664.263838	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+H+CF3COOH"	115.000138
"1151600"	337.178951	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+3ACN+2H"	125.094202
"1701152"	681.290385	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+NH4+CF3COOH"	132.026685
"1643366"	686.24578	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+Na+CF3COOH"	136.98208
"1584483"	702.21972	"C07955"	"Fluphenazine enanthate;Prolixin enanthate"	"C29H38F3N3O2S"	"549.2637"	"M+K+CF3COOH"	152.95602
"809383"	591.3106	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M"	0
"987293"	572.29221	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-H2O-H"	-19.01839
"74440"	393.199790666667	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M-3H"	-3.021828
"511813"	590.303324	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M-3H"	-3.021828
"883055"	196.096257333333	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-3H"	-3.021828
"4911"	590.303324	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M-2H"	-2.014552
"445563"	885.958624	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M-2H"	-2.014552
"823365"	294.648024	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-2H"	-2.014552
"89927"	1181.613924	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M-H"	-1.007276
"533136"	1772.924524	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M-H"	-1.007276
"906196"	590.303324	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-H"	-1.007276
"59478"	1198.640471	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M-2H+NH4"	16.019271
"497953"	1789.951071	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M-2H+NH4"	16.019271
"875754"	607.329871	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-2H+NH4"	16.019271
"45477"	1203.595866	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M-2H+Na"	20.974666
"481025"	1794.906466	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M-2H+Na"	20.974666
"863488"	612.285266	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-2H+Na"	20.974666
"1633105"	612.285266	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Na-2H"	20.974666
"107079"	608.291663	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M-H+Cl"	33.962126
"537889"	903.946963	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M-H+Cl"	33.962126
"931403"	312.636363	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-H+Cl"	33.962126
"267527"	1217.590602	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+Cl"	34.969402
"674412"	1808.901202	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+Cl"	34.969402
"1276973"	626.280002	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Cl"	34.969402
"20623"	1219.569806	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M-2H+K"	36.948606
"460184"	1810.880406	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M-2H+K"	36.948606
"847099"	628.259206	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-2H+K"	36.948606
"1570967"	628.259206	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+K-2H"	36.948606
"958075"	636.308794	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-H+HCOOH"	44.998194
"377036"	1227.619401	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+HCOOH-H"	44.998201
"361067"	1241.635051	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+Hac-H"	59.013851
"1501385"	650.324451	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Hac-H"	59.013851
"968926"	658.290751	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-H+NaCOOH"	66.980151
"124516"	626.280002	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+2Cl"	69.938804
"555207"	921.935302	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+2Cl"	69.938804
"1028379"	330.624702	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2Cl"	69.938804
"1247956"	670.229485	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Br"	78.918885
"1311499"	672.285472	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Cl+HCOOH"	80.974872
"1330088"	694.267429	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Cl+NaCOOH"	102.956829
"918958"	704.296186	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M-H+CF3COOH"	112.985586
"1293480"	740.272864	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Cl+CF3COOH"	148.962264
"1372734"	556.297924	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H-2H2O"	-35.012676
"1385129"	574.3079	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H-H2O"	-17.0027
"286639"	1183.628476	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+H"	1.007276
"682341"	1774.939076	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+H"	1.007276
"1359786"	592.317876	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H"	1.007276
"131581"	592.317876	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+2H"	2.014552
"572236"	887.973176	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+2H"	2.014552
"1045409"	296.662576	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2H"	2.014552
"212217"	395.214342666667	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+3H"	3.021828
"652871"	592.317876	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+3H"	3.021828
"1176465"	198.110809333333	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+3H"	3.021828
"432446"	1200.655023	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+NH4"	18.033823
"796365"	1791.965623	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+NH4"	18.033823
"1686137"	609.344423	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+NH4"	18.033823
"338787"	600.8311495	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+H+NH4"	19.041099
"727198"	896.4864495	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+H+NH4"	19.041099
"1480652"	305.1758495	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H+NH4"	19.041099
"402615"	1205.610418	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+Na"	22.989218
"762517"	1796.921018	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+Na"	22.989218
"1606242"	614.299818	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Na"	22.989218
"319557"	603.308847	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+H+Na"	23.996494
"716357"	898.964147	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+H+Na"	23.996494
"1463616"	307.653547	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H+Na"	23.996494
"1053089"	205.438123333333	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2H+Na"	25.00377
"1260722"	624.344086	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+CH3OH+H"	33.033486
"380391"	1221.584358	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+K"	38.963158
"739442"	1812.894958	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+K"	38.963158
"1539977"	630.273758	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+K"	38.963158
"300984"	611.295817	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+H+K"	39.970434
"692182"	906.951117	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+H+K"	39.970434
"1445629"	315.640517	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H+K"	39.970434
"235976"	1224.655026	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+ACN+H"	42.033826
"1210047"	633.344426	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+ACN+H"	42.033826
"1194392"	317.175851	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+ACN+2H"	43.041102
"189902"	1227.59236	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+2Na-H"	44.97116
"629581"	1818.90296	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+2Na-H"	44.97116
"1132609"	636.28176	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2Na-H"	44.97116
"176758"	614.299818	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+2Na"	45.978436
"615951"	909.955118	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+2Na"	45.978436
"1119460"	318.644518	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2Na"	45.978436
"1400794"	212.765437333333	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H+2Na"	46.985712
"1437654"	638.323346	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H+HCOOH"	47.012746
"221885"	619.33284	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+3H2O+2H"	56.04448
"1510309"	652.37539	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+IsoProp+H"	61.06479
"409999"	622.286788	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+Na+K"	61.952376
"773913"	917.942088	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+Na+K"	61.952376
"1666232"	326.631488	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Na+K"	61.952376
"252024"	1246.636968	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+ACN+Na"	64.015768
"1226190"	655.326368	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+ACN+Na"	64.015768
"1714344"	655.349893	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+NH4+HCOOH"	64.039293
"1179699"	220.092751333333	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+3Na"	68.967654
"1650797"	660.305288	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Na+HCOOH"	68.994688
"158151"	1259.54024	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+2K-H"	76.91904
"597427"	1850.85084	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+2K-H"	76.91904
"1087823"	668.22964	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2K-H"	76.91904
"153392"	630.273758	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"2M+2K"	77.926316
"594052"	925.929058	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"3M+2K"	77.926316
"1081843"	334.618458	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2K"	77.926316
"1113718"	670.244192	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2K+H"	78.933592
"1350952"	670.331807	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+DMSO+H"	79.021207
"1021268"	674.370976	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2ACN+H"	83.060376
"1538101"	675.364608	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+IsoProp+Na+H"	84.054008
"1004910"	337.689126	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+2ACN+2H"	84.067652
"1601841"	676.279228	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+K+HCOOH"	84.968628
"1428592"	706.310738	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+H+CF3COOH"	115.000138
"1158270"	358.202401	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+3ACN+2H"	125.094202
"1700169"	723.337285	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+NH4+CF3COOH"	132.026685
"1643476"	728.29268	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+Na+CF3COOH"	136.98208
"1584593"	744.26662	"C07956"	"Fluphenazine depot;Fluphenazine decanoate;Prolixin decanoate"	"C32H44F3N3O2S"	"591.3106"	"M+K+CF3COOH"	152.95602
"808398"	74.0168	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M"	0
"985216"	54.99841	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-H2O-H"	-19.01839
"67989"	48.3372573333333	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M-3H"	-3.021828
"505363"	73.009524	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M-3H"	-3.021828
"880975"	23.6649906666667	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-3H"	-3.021828
"3925"	73.009524	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M-2H"	-2.014552
"441660"	110.017924	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M-2H"	-2.014552
"819831"	36.001124	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-2H"	-2.014552
"90037"	147.026324	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M-H"	-1.007276
"533612"	221.043124	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M-H"	-1.007276
"906306"	73.009524	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-H"	-1.007276
"58494"	164.052871	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M-2H+NH4"	16.019271
"500738"	238.069671	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M-2H+NH4"	16.019271
"876956"	90.036071	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-2H+NH4"	16.019271
"43763"	169.008266	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M-2H+Na"	20.974666
"481135"	243.025066	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M-2H+Na"	20.974666
"863313"	94.991466	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-2H+Na"	20.974666
"1633457"	94.991466	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Na-2H"	20.974666
"107189"	90.997863	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M-H+Cl"	33.962126
"540185"	128.006263	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M-H+Cl"	33.962126
"934793"	53.989463	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-H+Cl"	33.962126
"270796"	183.003002	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+Cl"	34.969402
"672336"	257.019802	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+Cl"	34.969402
"1277083"	108.986202	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Cl"	34.969402
"21826"	184.982206	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M-2H+K"	36.948606
"461387"	258.999006	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M-2H+K"	36.948606
"847533"	110.965406	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-2H+K"	36.948606
"1570252"	110.965406	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+K-2H"	36.948606
"958469"	119.014994	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-H+HCOOH"	44.998194
"376443"	193.031801	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+HCOOH-H"	44.998201
"360569"	207.047451	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+Hac-H"	59.013851
"1501495"	133.030651	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Hac-H"	59.013851
"966848"	140.996951	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-H+NaCOOH"	66.980151
"122316"	108.986202	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+2Cl"	69.938804
"559690"	145.994602	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+2Cl"	69.938804
"1026302"	71.977802	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2Cl"	69.938804
"1245880"	152.935685	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Br"	78.918885
"1311609"	154.991672	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Cl+HCOOH"	80.974872
"1326917"	176.973629	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Cl+NaCOOH"	102.956829
"919068"	187.002386	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M-H+CF3COOH"	112.985586
"1290308"	222.979064	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Cl+CF3COOH"	148.962264
"1369928"	39.004124	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H-2H2O"	-35.012676
"1383047"	57.0141	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H-H2O"	-17.0027
"287113"	149.040876	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+H"	1.007276
"681358"	223.057676	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+H"	1.007276
"1360987"	75.024076	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H"	1.007276
"133876"	75.024076	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+2H"	2.014552
"572346"	112.032476	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+2H"	2.014552
"1044426"	38.015676	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2H"	2.014552
"213420"	50.3518093333333	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+3H"	3.021828
"651887"	75.024076	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+3H"	3.021828
"1175479"	25.6795426666667	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+3H"	3.021828
"433285"	166.067423	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+NH4"	18.033823
"793195"	240.084223	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+NH4"	18.033823
"1685517"	92.050623	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+NH4"	18.033823
"338897"	83.5373495	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+H+NH4"	19.041099
"729130"	120.5457495	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+H+NH4"	19.041099
"1479669"	46.5289495	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H+NH4"	19.041099
"399444"	171.022818	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+Na"	22.989218
"759347"	245.039618	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+Na"	22.989218
"1608538"	97.006018	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Na"	22.989218
"317480"	86.015047	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+H+Na"	23.996494
"712093"	123.023447	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+H+Na"	23.996494
"1462023"	49.006647	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H+Na"	23.996494
"1053686"	33.0068566666667	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2H+Na"	25.00377
"1259010"	107.050286	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+CH3OH+H"	33.033486
"382686"	186.996758	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+K"	38.963158
"740036"	261.013558	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+K"	38.963158
"1540030"	112.979958	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+K"	38.963158
"299999"	94.002017	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+H+K"	39.970434
"691561"	131.010417	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+H+K"	39.970434
"1445694"	56.993617	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H+K"	39.970434
"236050"	190.067426	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+ACN+H"	42.033826
"1210177"	116.050626	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+ACN+H"	42.033826
"1194828"	58.528951	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+ACN+2H"	43.041102
"189523"	193.00476	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+2Na-H"	44.97116
"629690"	267.02156	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+2Na-H"	44.97116
"1131377"	118.98796	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2Na-H"	44.97116
"174184"	97.006018	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+2Na"	45.978436
"616425"	134.014418	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+2Na"	45.978436
"1117133"	59.997618	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2Na"	45.978436
"1401268"	40.3341706666667	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H+2Na"	46.985712
"1434484"	121.029546	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H+HCOOH"	47.012746
"225275"	102.03904	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+3H2O+2H"	56.04448
"1510422"	135.08159	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+IsoProp+H"	61.06479
"411567"	104.992988	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+Na+K"	61.952376
"772929"	142.001388	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+Na+K"	61.952376
"1667436"	67.984588	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Na+K"	61.952376
"252499"	212.049368	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+ACN+Na"	64.015768
"1226665"	138.032568	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+ACN+Na"	64.015768
"1713850"	138.056093	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+NH4+HCOOH"	64.039293
"1180658"	47.6614846666667	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+3Na"	68.967654
"1650421"	143.011488	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Na+HCOOH"	68.994688
"157768"	224.95264	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+2K-H"	76.91904
"597943"	298.96944	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+2K-H"	76.91904
"1090119"	150.93584	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2K-H"	76.91904
"154595"	112.979958	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"2M+2K"	77.926316
"596229"	149.988358	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"3M+2K"	77.926316
"1082562"	75.971558	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2K"	77.926316
"1114923"	152.950392	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2K+H"	78.933592
"1349847"	153.038007	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+DMSO+H"	79.021207
"1020770"	157.077176	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2ACN+H"	83.060376
"1538822"	158.070808	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+IsoProp+Na+H"	84.054008
"1005468"	79.042226	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+2ACN+2H"	84.067652
"1600979"	158.985428	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+K+HCOOH"	84.968628
"1429189"	189.016938	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+H+CF3COOH"	115.000138
"1155100"	99.555501	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+3ACN+2H"	125.094202
"1701372"	206.043485	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+NH4+CF3COOH"	132.026685
"1643586"	210.99888	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+Na+CF3COOH"	136.98208
"1584703"	226.97282	"C07964"	"Lithium carbonate"	"Li2CO3"	"74.0168"	"M+K+CF3COOH"	152.95602
"805228"	440.2345	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M"	0
"984233"	421.21611	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-H2O-H"	-19.01839
"68099"	292.482390666667	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M-3H"	-3.021828
"505837"	439.227224	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M-3H"	-3.021828
"880720"	145.737557333333	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-3H"	-3.021828
"754"	439.227224	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M-2H"	-2.014552
"441406"	659.344474	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M-2H"	-2.014552
"819941"	219.109974	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-2H"	-2.014552
"91240"	879.461724	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M-H"	-1.007276
"533888"	1319.696224	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M-H"	-1.007276
"906416"	439.227224	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-H"	-1.007276
"61521"	896.488271	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M-2H+NH4"	16.019271
"502345"	1336.722771	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M-2H+NH4"	16.019271
"878161"	456.253771	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-2H+NH4"	16.019271
"40593"	901.443666	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M-2H+Na"	20.974666
"485620"	1341.678166	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M-2H+Na"	20.974666
"863301"	461.209166	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-2H+Na"	20.974666
"1633812"	461.209166	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Na-2H"	20.974666
"108392"	457.215563	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M-H+Cl"	33.962126
"538109"	677.332813	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M-H+Cl"	33.962126
"931986"	237.098313	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-H+Cl"	33.962126
"271270"	915.438402	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+Cl"	34.969402
"673539"	1355.672902	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+Cl"	34.969402
"1278286"	475.203902	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Cl"	34.969402
"23029"	917.417606	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M-2H+K"	36.948606
"462590"	1357.652106	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M-2H+K"	36.948606
"844039"	477.183106	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-2H+K"	36.948606
"1569351"	477.183106	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+K-2H"	36.948606
"958465"	485.232694	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-H+HCOOH"	44.998194
"377086"	925.467201	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+HCOOH-H"	44.998201
"360309"	939.482851	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+Hac-H"	59.013851
"1502700"	499.248351	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Hac-H"	59.013851
"969147"	507.214651	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-H+NaCOOH"	66.980151
"122427"	475.203902	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+2Cl"	69.938804
"557614"	695.321152	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+2Cl"	69.938804
"1028600"	255.086652	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2Cl"	69.938804
"1245990"	519.153385	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Br"	78.918885
"1310626"	521.209372	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Cl+HCOOH"	80.974872
"1327027"	543.191329	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Cl+NaCOOH"	102.956829
"918085"	553.220086	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M-H+CF3COOH"	112.985586
"1289568"	589.196764	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Cl+CF3COOH"	148.962264
"1372954"	405.221824	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H-2H2O"	-35.012676
"1382911"	423.2318	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H-H2O"	-17.0027
"285766"	881.476276	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+H"	1.007276
"681468"	1321.710776	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+H"	1.007276
"1358910"	441.241776	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H"	1.007276
"133986"	441.241776	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+2H"	2.014552
"573549"	661.359026	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+2H"	2.014552
"1050733"	221.124526	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2H"	2.014552
"215717"	294.496942666667	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+3H"	3.021828
"654184"	441.241776	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+3H"	3.021828
"1173402"	147.752109333333	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+3H"	3.021828
"432302"	898.502823	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+NH4"	18.033823
"787839"	1338.737323	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+NH4"	18.033823
"1687450"	458.268323	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+NH4"	18.033823
"339007"	449.7550495	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+H+NH4"	19.041099
"724867"	669.8722995	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+H+NH4"	19.041099
"1478078"	229.6377995	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H+NH4"	19.041099
"403565"	903.458218	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+Na"	22.989218
"758366"	1343.692718	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+Na"	22.989218
"1607557"	463.223718	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Na"	22.989218
"319781"	452.232747	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+H+Na"	23.996494
"708923"	672.349997	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+H+Na"	23.996494
"1461601"	232.115497	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H+Na"	23.996494
"1052819"	155.079423333333	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2H+Na"	25.00377
"1258023"	473.267986	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+CH3OH+H"	33.033486
"379151"	919.432158	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+K"	38.963158
"739051"	1359.666658	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+K"	38.963158
"1540134"	479.197658	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+K"	38.963158
"301570"	460.219717	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+H+K"	39.970434
"691715"	680.336967	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+H+K"	39.970434
"1445750"	240.102467	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H+K"	39.970434
"236045"	922.502826	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+ACN+H"	42.033826
"1209977"	482.268326	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+ACN+H"	42.033826
"1194452"	241.637801	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+ACN+2H"	43.041102
"188824"	925.44016	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+2Na-H"	44.97116
"628629"	1365.67466	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+2Na-H"	44.97116
"1131385"	485.20566	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2Na-H"	44.97116
"173324"	463.223718	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+2Na"	45.978436
"615442"	683.340968	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+2Na"	45.978436
"1117487"	243.106468	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2Na"	45.978436
"1401013"	162.406737333333	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H+2Na"	46.985712
"1434594"	487.247246	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H+HCOOH"	47.012746
"225385"	468.25674	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+3H2O+2H"	56.04448
"1511263"	501.29929	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+IsoProp+H"	61.06479
"411677"	471.210688	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+Na+K"	61.952376
"775226"	691.327938	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+Na+K"	61.952376
"1667182"	251.093438	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Na+K"	61.952376
"253703"	944.484768	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+ACN+Na"	64.015768
"1226776"	504.250268	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+ACN+Na"	64.015768
"1713596"	504.273793	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+NH4+HCOOH"	64.039293
"1181011"	169.734051333333	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+3Na"	68.967654
"1651754"	509.229188	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Na+HCOOH"	68.994688
"157398"	957.38804	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+2K-H"	76.91904
"597562"	1397.62254	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+2K-H"	76.91904
"1085120"	517.15354	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2K-H"	76.91904
"150331"	479.197658	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"2M+2K"	77.926316
"596827"	699.314908	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"3M+2K"	77.926316
"1082672"	259.080408	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2K"	77.926316
"1114177"	519.168092	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2K+H"	78.933592
"1350078"	519.255707	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+DMSO+H"	79.021207
"1021006"	523.294876	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2ACN+H"	83.060376
"1538324"	524.288508	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+IsoProp+Na+H"	84.054008
"1005375"	262.151076	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+2ACN+2H"	84.067652
"1602062"	525.203128	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+K+HCOOH"	84.968628
"1429299"	555.234638	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+H+CF3COOH"	115.000138
"1155210"	282.664351	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+3ACN+2H"	125.094202
"1701482"	572.261185	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+NH4+CF3COOH"	132.026685
"1643696"	577.21658	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+Na+CF3COOH"	136.98208
"1584813"	593.19052	"C07965"	"Tirofiban"	"C22H36N2O5S"	"440.2345"	"M+K+CF3COOH"	152.95602
"805338"	459.2421	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M"	0
"982156"	440.22371	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-H2O-H"	-19.01839
"68209"	305.154124	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M-3H"	-3.021828
"502890"	458.234824	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M-3H"	-3.021828
"881196"	152.073424	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-3H"	-3.021828
"1958"	458.234824	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M-2H"	-2.014552
"443704"	687.855874	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M-2H"	-2.014552
"819687"	228.613774	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-2H"	-2.014552
"88069"	917.476924	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M-H"	-1.007276
"530913"	1376.719024	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M-H"	-1.007276
"906526"	458.234824	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-H"	-1.007276
"57621"	934.503471	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M-2H+NH4"	16.019271
"502374"	1393.745571	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M-2H+NH4"	16.019271
"879487"	475.261371	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-2H+NH4"	16.019271
"46170"	939.458866	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M-2H+Na"	20.974666
"484636"	1398.700966	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M-2H+Na"	20.974666
"863902"	480.216766	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-2H+Na"	20.974666
"1633435"	480.216766	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Na-2H"	20.974666
"108503"	476.223163	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M-H+Cl"	33.962126
"538219"	705.844213	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M-H+Cl"	33.962126
"936105"	246.602113	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-H+Cl"	33.962126
"268102"	953.453602	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+Cl"	34.969402
"667086"	1412.695702	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+Cl"	34.969402
"1277303"	494.211502	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Cl"	34.969402
"20953"	955.432806	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M-2H+K"	36.948606
"461607"	1414.674906	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M-2H+K"	36.948606
"841597"	496.190706	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-2H+K"	36.948606
"1568365"	496.190706	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+K-2H"	36.948606
"958077"	504.240294	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-H+HCOOH"	44.998194
"376540"	963.482401	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+HCOOH-H"	44.998201
"360907"	977.498051	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+Hac-H"	59.013851
"1503905"	518.255951	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Hac-H"	59.013851
"971445"	526.222251	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-H+NaCOOH"	66.980151
"120351"	494.211502	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+2Cl"	69.938804
"558818"	723.832552	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+2Cl"	69.938804
"1029803"	264.590452	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2Cl"	69.938804
"1246100"	538.160985	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Br"	78.918885
"1310736"	540.216972	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Cl+HCOOH"	80.974872
"1323857"	562.198929	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Cl+NaCOOH"	102.956829
"919288"	572.227686	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M-H+CF3COOH"	112.985586
"1290530"	608.204364	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Cl+CF3COOH"	148.962264
"1376344"	424.229424	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H-2H2O"	-35.012676
"1383504"	442.2394	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H-H2O"	-17.0027
"285876"	919.491476	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+H"	1.007276
"681578"	1378.733576	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+H"	1.007276
"1356834"	460.249376	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H"	1.007276
"131911"	460.249376	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+2H"	2.014552
"579127"	689.870426	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+2H"	2.014552
"1047927"	230.628326	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2H"	2.014552
"212548"	307.168676	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+3H"	3.021828
"658304"	460.249376	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+3H"	3.021828
"1175699"	154.087976	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+3H"	3.021828
"436784"	936.518023	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+NH4"	18.033823
"790136"	1395.760123	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+NH4"	18.033823
"1687560"	477.275923	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+NH4"	18.033823
"339117"	468.7626495	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+H+NH4"	19.041099
"723884"	698.3836995	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+H+NH4"	19.041099
"1477214"	239.1415995	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H+NH4"	19.041099
"401853"	941.473418	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+Na"	22.989218
"758476"	1400.715518	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+Na"	22.989218
"1608761"	482.231318	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Na"	22.989218
"318798"	471.240347	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+H+Na"	23.996494
"707615"	700.861397	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+H+Na"	23.996494
"1462124"	241.619297	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H+Na"	23.996494
"1053547"	161.41529	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2H+Na"	25.00377
"1257324"	492.275586	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+CH3OH+H"	33.033486
"377138"	957.447358	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+K"	38.963158
"739040"	1416.689458	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+K"	38.963158
"1540245"	498.205258	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+K"	38.963158
"302408"	479.227317	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+H+K"	39.970434
"691946"	708.848367	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+H+K"	39.970434
"1446048"	249.606267	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H+K"	39.970434
"236884"	960.518026	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+ACN+H"	42.033826
"1210194"	501.275926	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+ACN+H"	42.033826
"1194726"	251.141601	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+ACN+2H"	43.041102
"189624"	963.45536	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+2Na-H"	44.97116
"629186"	1422.69746	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+2Na-H"	44.97116
"1131803"	504.21326	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2Na-H"	44.97116
"173438"	482.231318	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+2Na"	45.978436
"615190"	711.852368	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+2Na"	45.978436
"1116506"	252.610268	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2Na"	45.978436
"1399666"	168.742604	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H+2Na"	46.985712
"1431787"	506.254846	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H+HCOOH"	47.012746
"222213"	487.26434	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+3H2O+2H"	56.04448
"1511374"	520.30689	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+IsoProp+H"	61.06479
"413247"	490.218288	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+Na+K"	61.952376
"770351"	719.839338	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+Na+K"	61.952376
"1665955"	260.597238	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Na+K"	61.952376
"251983"	982.499968	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+ACN+Na"	64.015768
"1229802"	523.257868	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+ACN+Na"	64.015768
"1714314"	523.281393	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+NH4+HCOOH"	64.039293
"1178689"	176.069918	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+3Na"	68.967654
"1649895"	528.236788	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Na+HCOOH"	68.994688
"157240"	995.40324	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+2K-H"	76.91904
"597223"	1454.64534	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+2K-H"	76.91904
"1085963"	536.16114	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2K-H"	76.91904
"149348"	498.205258	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"2M+2K"	77.926316
"596323"	727.826308	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"3M+2K"	77.926316
"1083024"	268.584208	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2K"	77.926316
"1113194"	538.175692	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2K+H"	78.933592
"1350309"	538.263307	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+DMSO+H"	79.021207
"1021295"	542.302476	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2ACN+H"	83.060376
"1539406"	543.296108	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+IsoProp+Na+H"	84.054008
"1003779"	271.654876	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+2ACN+2H"	84.067652
"1600104"	544.210728	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+K+HCOOH"	84.968628
"1425033"	574.242238	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+H+CF3COOH"	115.000138
"1158600"	292.168151	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+3ACN+2H"	125.094202
"1702686"	591.268785	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+NH4+CF3COOH"	132.026685
"1643806"	596.22418	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+Na+CF3COOH"	136.98208
"1584923"	612.19812	"C07966"	"Cerivastatin"	"C26H34FNO5"	"459.2421"	"M+K+CF3COOH"	152.95602
"805448"	353.8843	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M"	0
"982266"	334.86591	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-H2O-H"	-19.01839
"68319"	234.915590666667	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M-3H"	-3.021828
"508973"	352.877024	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M-3H"	-3.021828
"881307"	116.954157333333	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-3H"	-3.021828
"1091"	352.877024	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M-2H"	-2.014552
"440411"	529.819174	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M-2H"	-2.014552
"817726"	175.934874	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-2H"	-2.014552
"88179"	706.761324	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M-H"	-1.007276
"528837"	1060.645624	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M-H"	-1.007276
"900075"	352.877024	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-H"	-1.007276
"55544"	723.787871	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M-2H+NH4"	16.019271
"496198"	1077.672171	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M-2H+NH4"	16.019271
"877160"	369.903571	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-2H+NH4"	16.019271
"43000"	728.743266	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M-2H+Na"	20.974666
"483652"	1082.627566	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M-2H+Na"	20.974666
"861454"	374.858966	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-2H+Na"	20.974666
"1632449"	374.858966	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Na-2H"	20.974666
"107155"	370.865363	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M-H+Cl"	33.962126
"539422"	547.807513	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M-H+Cl"	33.962126
"932934"	193.923213	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-H+Cl"	33.962126
"269425"	742.738002	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+Cl"	34.969402
"660670"	1096.622302	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+Cl"	34.969402
"1275225"	388.853702	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Cl"	34.969402
"22156"	744.717206	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M-2H+K"	36.948606
"462810"	1098.601506	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M-2H+K"	36.948606
"841707"	390.832906	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-2H+K"	36.948606
"1567383"	390.832906	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+K-2H"	36.948606
"957822"	398.882494	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-H+HCOOH"	44.998194
"376287"	752.766801	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+HCOOH-H"	44.998201
"360415"	766.782451	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+Hac-H"	59.013851
"1507295"	412.898151	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Hac-H"	59.013851
"966087"	420.864451	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-H+NaCOOH"	66.980151
"119368"	388.853702	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+2Cl"	69.938804
"564760"	565.795852	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+2Cl"	69.938804
"1029913"	211.911552	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2Cl"	69.938804
"1253500"	432.803185	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Br"	78.918885
"1308659"	434.859172	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Cl+HCOOH"	80.974872
"1323967"	456.841129	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Cl+NaCOOH"	102.956829
"916118"	466.869886	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M-H+CF3COOH"	112.985586
"1289909"	502.846564	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Cl+CF3COOH"	148.962264
"1378642"	318.871624	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H-2H2O"	-35.012676
"1383254"	336.8816	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H-H2O"	-17.0027
"284893"	708.775876	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+H"	1.007276
"678407"	1062.660176	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+H"	1.007276
"1358037"	354.891576	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H"	1.007276
"133114"	354.891576	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+2H"	2.014552
"580334"	531.833726	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+2H"	2.014552
"1050226"	177.949426	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2H"	2.014552
"212658"	236.930142666667	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+3H"	3.021828
"655863"	354.891576	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+3H"	3.021828
"1176540"	118.968709333333	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+3H"	3.021828
"435801"	725.802423	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+NH4"	18.033823
"790246"	1079.686723	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+NH4"	18.033823
"1686577"	371.918123	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+NH4"	18.033823
"339227"	363.4048495	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+H+NH4"	19.041099
"723750"	540.3469995	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+H+NH4"	19.041099
"1477364"	186.4626995	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H+NH4"	19.041099
"397589"	730.757818	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+Na"	22.989218
"764052"	1084.642118	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+Na"	22.989218
"1608869"	376.873518	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Na"	22.989218
"317815"	365.882547	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+H+Na"	23.996494
"709145"	542.824697	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+H+Na"	23.996494
"1461739"	188.940397	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H+Na"	23.996494
"1053041"	126.296023333333	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2H+Na"	25.00377
"1258240"	386.917786	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+CH3OH+H"	33.033486
"377666"	746.731758	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+K"	38.963158
"739389"	1100.616058	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+K"	38.963158
"1540354"	392.847458	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+K"	38.963158
"299602"	373.869517	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+H+K"	39.970434
"691932"	550.811667	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+H+K"	39.970434
"1446322"	196.927367	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H+K"	39.970434
"236259"	749.802426	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+ACN+H"	42.033826
"1211034"	395.918126	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+ACN+H"	42.033826
"1195650"	198.462701	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+ACN+2H"	43.041102
"191927"	752.73976	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+2Na-H"	44.97116
"631121"	1106.62406	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+2Na-H"	44.97116
"1132435"	398.85546	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2Na-H"	44.97116
"174031"	376.873518	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+2Na"	45.978436
"614935"	553.815668	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+2Na"	45.978436
"1116616"	199.931368	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2Na"	45.978436
"1400504"	133.623337333333	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H+2Na"	46.985712
"1432257"	400.897046	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H+HCOOH"	47.012746
"220622"	381.90654	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+3H2O+2H"	56.04448
"1511119"	414.94909	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+IsoProp+H"	61.06479
"412264"	384.860488	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+Na+K"	61.952376
"770460"	561.802638	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+Na+K"	61.952376
"1666428"	207.918338	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Na+K"	61.952376
"252131"	771.784368	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+ACN+Na"	64.015768
"1227360"	417.900068	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+ACN+Na"	64.015768
"1714784"	417.923593	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+NH4+HCOOH"	64.039293
"1178715"	140.950651333333	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+3Na"	68.967654
"1650388"	422.878988	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Na+HCOOH"	68.994688
"157615"	784.68764	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+2K-H"	76.91904
"597661"	1138.57194	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+2K-H"	76.91904
"1085101"	430.80334	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2K-H"	76.91904
"150551"	392.847458	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"2M+2K"	77.926316
"590114"	569.789608	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"3M+2K"	77.926316
"1075720"	215.905308	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2K"	77.926316
"1108927"	432.817892	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2K+H"	78.933592
"1344217"	432.905507	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+DMSO+H"	79.021207
"1021251"	436.944676	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2ACN+H"	83.060376
"1539839"	437.938308	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+IsoProp+Na+H"	84.054008
"1004377"	218.975976	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+2ACN+2H"	84.067652
"1600578"	438.852928	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+K+HCOOH"	84.968628
"1427329"	468.884438	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+H+CF3COOH"	115.000138
"1158710"	239.489251	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+3ACN+2H"	125.094202
"1702796"	485.910985	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+NH4+CF3COOH"	132.026685
"1643916"	490.86638	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+Na+CF3COOH"	136.98208
"1585033"	506.84032	"C07967"	"Bithionol"	"C12H6Cl4O2S"	"353.8843"	"M+K+CF3COOH"	152.95602
"805558"	199.1685	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M"	0
"983469"	180.15011	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-H2O-H"	-19.01839
"68429"	131.771724	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M-3H"	-3.021828
"511270"	198.161224	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M-3H"	-3.021828
"884698"	65.382224	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-3H"	-3.021828
"2540"	198.161224	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M-2H"	-2.014552
"445017"	297.745474	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M-2H"	-2.014552
"820632"	98.576974	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-2H"	-2.014552
"80995"	397.329724	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M-H"	-1.007276
"528946"	596.498224	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M-H"	-1.007276
"900185"	198.161224	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-H"	-1.007276
"57841"	414.356271	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M-2H+NH4"	16.019271
"489747"	613.524771	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M-2H+NH4"	16.019271
"874109"	215.187771	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-2H+NH4"	16.019271
"38729"	419.311666	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M-2H+Na"	20.974666
"479385"	618.480166	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M-2H+Na"	20.974666
"854999"	220.143166	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-2H+Na"	20.974666
"1624534"	220.143166	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Na-2H"	20.974666
"99969"	216.149563	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M-H+Cl"	33.962126
"541719"	315.733813	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M-H+Cl"	33.962126
"931951"	116.565313	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-H+Cl"	33.962126
"267710"	433.306402	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+Cl"	34.969402
"660861"	632.474902	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+Cl"	34.969402
"1274242"	234.137902	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Cl"	34.969402
"21173"	435.285606	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M-2H+K"	36.948606
"460734"	634.454106	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M-2H+K"	36.948606
"841817"	236.117106	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-2H+K"	36.948606
"1568585"	236.117106	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+K-2H"	36.948606
"956355"	244.166694	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-H+HCOOH"	44.998194
"376857"	443.335201	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+HCOOH-H"	44.998201
"360403"	457.350851	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+Hac-H"	59.013851
"1504855"	258.182351	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Hac-H"	59.013851
"966197"	266.148651	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-H+NaCOOH"	66.980151
"118384"	234.137902	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+2Cl"	69.938804
"563782"	333.722152	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+2Cl"	69.938804
"1036219"	134.553652	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2Cl"	69.938804
"1255068"	278.087385	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Br"	78.918885
"1315329"	280.143372	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Cl+HCOOH"	80.974872
"1329544"	302.125329	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Cl+NaCOOH"	102.956829
"918416"	312.154086	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M-H+CF3COOH"	112.985586
"1298403"	348.130764	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Cl+CF3COOH"	148.962264
"1379847"	164.155824	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H-2H2O"	-35.012676
"1389687"	182.1658	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H-H2O"	-17.0027
"287189"	399.344276	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+H"	1.007276
"683983"	598.512776	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+H"	1.007276
"1357054"	200.175776	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H"	1.007276
"129579"	200.175776	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+2H"	2.014552
"576068"	299.760026	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+2H"	2.014552
"1044866"	100.591526	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2H"	2.014552
"212768"	133.786276	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+3H"	3.021828
"651235"	200.175776	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+3H"	3.021828
"1176529"	67.396776	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+3H"	3.021828
"435913"	416.370823	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+NH4"	18.033823
"793636"	615.539323	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+NH4"	18.033823
"1684135"	217.202323	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+NH4"	18.033823
"339337"	208.6890495	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+H+NH4"	19.041099
"724831"	308.2732995	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+H+NH4"	19.041099
"1477919"	109.1047995	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H+NH4"	19.041099
"394783"	421.326218	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+Na"	22.989218
"756507"	620.494718	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+Na"	22.989218
"1608979"	222.157718	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Na"	22.989218
"316461"	211.166747	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+H+Na"	23.996494
"711442"	310.750997	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+H+Na"	23.996494
"1462341"	111.582497	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H+Na"	23.996494
"1053400"	74.72409	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2H+Na"	25.00377
"1261641"	232.201986	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+CH3OH+H"	33.033486
"378876"	437.300158	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+K"	38.963158
"739750"	636.468658	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+K"	38.963158
"1541198"	238.131658	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+K"	38.963158
"299468"	219.153717	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+H+K"	39.970434
"691887"	318.737967	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+H+K"	39.970434
"1449233"	119.569467	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H+K"	39.970434
"236860"	440.370826	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+ACN+H"	42.033826
"1215284"	241.202326	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+ACN+H"	42.033826
"1199168"	121.104801	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+ACN+2H"	43.041102
"191309"	443.30816	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+2Na-H"	44.97116
"635972"	642.47666	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+2Na-H"	44.97116
"1132547"	244.13966	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2Na-H"	44.97116
"174747"	222.157718	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+2Na"	45.978436
"615410"	321.741968	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+2Na"	45.978436
"1117454"	122.573468	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2Na"	45.978436
"1401344"	82.051404	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H+2Na"	46.985712
"1433465"	246.181246	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H+HCOOH"	47.012746
"222798"	227.19074	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+3H2O+2H"	56.04448
"1510864"	260.23329	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+IsoProp+H"	61.06479
"411281"	230.144688	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+Na+K"	61.952376
"770174"	329.728938	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+Na+K"	61.952376
"1665927"	130.560438	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Na+K"	61.952376
"252323"	462.352768	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+ACN+Na"	64.015768
"1226492"	263.184268	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+ACN+Na"	64.015768
"1714896"	263.207793	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+NH4+HCOOH"	64.039293
"1179229"	89.378718	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+3Na"	68.967654
"1650050"	268.163188	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Na+HCOOH"	68.994688
"157968"	475.25604	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+2K-H"	76.91904
"597892"	674.42454	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+2K-H"	76.91904
"1085454"	276.08754	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2K-H"	76.91904
"146284"	238.131658	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"2M+2K"	77.926316
"588035"	337.715908	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"3M+2K"	77.926316
"1074732"	138.547408	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2K"	77.926316
"1106849"	278.102092	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2K+H"	78.933592
"1342140"	278.189707	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+DMSO+H"	79.021207
"1013951"	282.228876	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2ACN+H"	83.060376
"1539383"	283.222508	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+IsoProp+Na+H"	84.054008
"1002906"	141.618076	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+2ACN+2H"	84.067652
"1599595"	284.137128	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+K+HCOOH"	84.968628
"1420879"	314.168638	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+H+CF3COOH"	115.000138
"1157726"	162.131351	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+3ACN+2H"	125.094202
"1700718"	331.195185	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+NH4+CF3COOH"	132.026685
"1638557"	336.15058	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+Na+CF3COOH"	136.98208
"1585143"	352.12452	"C07968"	"Diethylcarbamazine;NN-Diethyl-4-methyl-1-piperazinecarboxamide"	"C10H21N3O"	"199.1685"	"M+K+CF3COOH"	152.95602
"812229"	255.9226	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M"	0
"984673"	236.90421	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-H2O-H"	-19.01839
"75102"	169.607790666667	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M-3H"	-3.021828
"513569"	254.915324	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M-3H"	-3.021828
"884810"	84.3002573333333	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-3H"	-3.021828
"4475"	254.915324	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M-2H"	-2.014552
"451692"	382.876624	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M-2H"	-2.014552
"822933"	126.954024	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-2H"	-2.014552
"82930"	510.837924	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M-H"	-1.007276
"529056"	766.760524	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M-H"	-1.007276
"906856"	254.915324	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-H"	-1.007276
"61233"	527.864471	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M-2H+NH4"	16.019271
"499700"	783.787071	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M-2H+NH4"	16.019271
"877139"	271.941871	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-2H+NH4"	16.019271
"42120"	532.819866	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M-2H+Na"	20.974666
"479495"	788.742466	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M-2H+Na"	20.974666
"850852"	276.897266	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-2H+Na"	20.974666
"1630112"	276.897266	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Na-2H"	20.974666
"104454"	272.903663	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M-H+Cl"	33.962126
"541829"	400.864963	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M-H+Cl"	33.962126
"933158"	144.942363	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-H+Cl"	33.962126
"267946"	546.814602	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+Cl"	34.969402
"661215"	802.737202	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+Cl"	34.969402
"1283100"	290.892002	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Cl"	34.969402
"29303"	548.793806	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M-2H+K"	36.948606
"467405"	804.716406	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M-2H+K"	36.948606
"847399"	292.871206	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-2H+K"	36.948606
"1568695"	292.871206	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+K-2H"	36.948606
"957680"	300.920794	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-H+HCOOH"	44.998194
"376146"	556.843401	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+HCOOH-H"	44.998201
"360274"	570.859051	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+Hac-H"	59.013851
"1505330"	314.936451	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Hac-H"	59.013851
"970682"	322.902751	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-H+NaCOOH"	66.980151
"119589"	290.892002	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+2Cl"	69.938804
"559148"	418.853302	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+2Cl"	69.938804
"1035606"	162.930702	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2Cl"	69.938804
"1255179"	334.841485	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Br"	78.918885
"1318726"	336.897472	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Cl+HCOOH"	80.974872
"1331478"	358.879429	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Cl+NaCOOH"	102.956829
"923629"	368.908186	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M-H+CF3COOH"	112.985586
"1303015"	404.884864	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Cl+CF3COOH"	148.962264
"1379591"	220.909924	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H-2H2O"	-35.012676
"1392716"	238.9199	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H-H2O"	-17.0027
"286571"	512.852476	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+H"	1.007276
"684095"	768.775076	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+H"	1.007276
"1357166"	256.929876	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H"	1.007276
"135520"	256.929876	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+2H"	2.014552
"580557"	384.891176	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+2H"	2.014552
"1049353"	128.968576	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2H"	2.014552
"215433"	171.622342666667	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+3H"	3.021828
"656814"	256.929876	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+3H"	3.021828
"1176398"	86.3148093333333	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+3H"	3.021828
"438944"	529.879023	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+NH4"	18.033823
"793746"	785.801623	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+NH4"	18.033823
"1684245"	273.956423	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+NH4"	18.033823
"337260"	265.4431495	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+H+NH4"	19.041099
"724213"	393.4044495	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+H+NH4"	19.041099
"1481314"	137.4818495	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H+NH4"	19.041099
"399997"	534.834418	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+Na"	22.989218
"756252"	790.757018	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+Na"	22.989218
"1609089"	278.911818	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Na"	22.989218
"316938"	267.920847	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+H+Na"	23.996494
"711550"	395.882147	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+H+Na"	23.996494
"1462576"	139.959547	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H+Na"	23.996494
"1058618"	93.6421233333333	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2H+Na"	25.00377
"1260297"	288.956086	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+CH3OH+H"	33.033486
"383244"	550.808358	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+K"	38.963158
"742418"	806.730958	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+K"	38.963158
"1543739"	294.885758	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+K"	38.963158
"300916"	275.907817	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+H+K"	39.970434
"694430"	403.869117	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+H+K"	39.970434
"1448616"	147.946517	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H+K"	39.970434
"238677"	553.879026	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+ACN+H"	42.033826
"1211384"	297.956426	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+ACN+H"	42.033826
"1195632"	149.481851	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+ACN+2H"	43.041102
"191055"	556.81636	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+2Na-H"	44.97116
"636083"	812.73896	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+2Na-H"	44.97116
"1133025"	300.89376	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2Na-H"	44.97116
"175463"	278.911818	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+2Na"	45.978436
"613936"	406.873118	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+2Na"	45.978436
"1118174"	150.950518	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2Na"	45.978436
"1403645"	100.969437333333	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H+2Na"	46.985712
"1432847"	302.935346	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H+HCOOH"	47.012746
"220721"	283.94484	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+3H2O+2H"	56.04448
"1516079"	316.98739	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+IsoProp+H"	61.06479
"415764"	286.898788	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+Na+K"	61.952376
"774574"	414.860088	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+Na+K"	61.952376
"1670904"	158.937488	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Na+K"	61.952376
"254507"	575.860968	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+ACN+Na"	64.015768
"1229039"	319.938368	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+ACN+Na"	64.015768
"1714764"	319.961893	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+NH4+HCOOH"	64.039293
"1178780"	108.296751333333	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+3Na"	68.967654
"1650369"	324.917288	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Na+HCOOH"	68.994688
"158084"	588.76424	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+2K-H"	76.91904
"597317"	844.68684	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+2K-H"	76.91904
"1084709"	332.84164	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2K-H"	76.91904
"150771"	294.885758	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"2M+2K"	77.926316
"585958"	422.847058	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"3M+2K"	77.926316
"1075938"	166.924458	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2K"	77.926316
"1103679"	334.856192	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2K+H"	78.933592
"1342250"	334.943807	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+DMSO+H"	79.021207
"1015156"	338.982976	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2ACN+H"	83.060376
"1536565"	339.976608	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+IsoProp+Na+H"	84.054008
"996451"	169.995126	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+2ACN+2H"	84.067652
"1595327"	340.891228	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+K+HCOOH"	84.968628
"1420989"	370.922738	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+H+CF3COOH"	115.000138
"1155649"	190.508401	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+3ACN+2H"	125.094202
"1700826"	387.949285	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+NH4+CF3COOH"	132.026685
"1640854"	392.90468	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+Na+CF3COOH"	136.98208
"1585253"	408.87862	"C07971"	"Metrifonate;Trichlorfon"	"C4H8Cl3O4P"	"255.9226"	"M+K+CF3COOH"	152.95602
"811246"	86.0844	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M"	0
"982594"	67.06601	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-H2O-H"	-19.01839
"68649"	56.382324	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M-3H"	-3.021828
"511491"	85.077124	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M-3H"	-3.021828
"887104"	27.687524	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-3H"	-3.021828
"4583"	85.077124	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M-2H"	-2.014552
"443052"	128.119324	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M-2H"	-2.014552
"818668"	42.034924	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-2H"	-2.014552
"78646"	171.161524	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M-H"	-1.007276
"526980"	257.245924	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M-H"	-1.007276
"906966"	85.077124	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-H"	-1.007276
"59155"	188.188071	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M-2H+NH4"	16.019271
"499808"	274.272471	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M-2H+NH4"	16.019271
"877610"	102.103671	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-2H+NH4"	16.019271
"38949"	193.143466	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M-2H+Na"	20.974666
"479605"	279.227866	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M-2H+Na"	20.974666
"850841"	107.059066	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-2H+Na"	20.974666
"1625847"	107.059066	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Na-2H"	20.974666
"104564"	103.065463	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M-H+Cl"	33.962126
"536471"	146.107663	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M-H+Cl"	33.962126
"928892"	60.023263	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-H+Cl"	33.962126
"268904"	207.138202	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+Cl"	34.969402
"661206"	293.222602	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+Cl"	34.969402
"1273484"	121.053802	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Cl"	34.969402
"17018"	209.117406	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M-2H+K"	36.948606
"466422"	295.201806	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M-2H+K"	36.948606
"847507"	123.033006	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-2H+K"	36.948606
"1567712"	123.033006	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+K-2H"	36.948606
"958380"	131.082594	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-H+HCOOH"	44.998194
"376742"	217.167001	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+HCOOH-H"	44.998201
"360984"	231.182651	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+Hac-H"	59.013851
"1505804"	145.098251	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Hac-H"	59.013851
"971158"	153.064551	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-H+NaCOOH"	66.980151
"119699"	121.053802	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+2Cl"	69.938804
"561445"	164.096002	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+2Cl"	69.938804
"1035348"	78.011602	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2Cl"	69.938804
"1254930"	165.003285	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Br"	78.918885
"1318836"	167.059272	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Cl+HCOOH"	80.974872
"1334142"	189.041229	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Cl+NaCOOH"	102.956829
"925198"	199.069986	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M-H+CF3COOH"	112.985586
"1303002"	235.046664	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Cl+CF3COOH"	148.962264
"1381893"	51.071724	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H-2H2O"	-35.012676
"1389910"	69.0817	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H-H2O"	-17.0027
"290691"	173.176076	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+H"	1.007276
"688215"	259.260476	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+H"	1.007276
"1362741"	87.091676	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H"	1.007276
"133443"	87.091676	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+2H"	2.014552
"580426"	130.133876	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+2H"	2.014552
"1050191"	44.049476	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2H"	2.014552
"215543"	58.396876	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+3H"	3.021828
"657897"	87.091676	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+3H"	3.021828
"1177969"	29.702076	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+3H"	3.021828
"436138"	190.202623	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+NH4"	18.033823
"796043"	276.287023	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+NH4"	18.033823
"1689094"	104.118223	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+NH4"	18.033823
"337370"	95.6049495	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+H+NH4"	19.041099
"724323"	138.6471495	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+H+NH4"	19.041099
"1481424"	52.5627495	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H+NH4"	19.041099
"402294"	195.158018	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+Na"	22.989218
"764382"	281.242418	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+Na"	22.989218
"1605551"	109.073618	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Na"	22.989218
"317050"	98.082647	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+H+Na"	23.996494
"711660"	141.124847	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+H+Na"	23.996494
"1463660"	55.040447	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H+Na"	23.996494
"1058729"	37.02939	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2H+Na"	25.00377
"1260771"	119.117886	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+CH3OH+H"	33.033486
"382261"	211.131958	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+K"	38.963158
"742165"	297.216358	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+K"	38.963158
"1544579"	125.047558	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+K"	38.963158
"301026"	106.069617	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+H+K"	39.970434
"694543"	149.111817	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+H+K"	39.970434
"1447270"	63.027417	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H+K"	39.970434
"235822"	214.202626	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+ACN+H"	42.033826
"1213318"	128.118226	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+ACN+H"	42.033826
"1194727"	64.562751	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+ACN+2H"	43.041102
"192624"	217.13996	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+2Na-H"	44.97116
"632914"	303.22436	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+2Na-H"	44.97116
"1133139"	131.05556	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2Na-H"	44.97116
"175572"	109.073618	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+2Na"	45.978436
"614897"	152.115818	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+2Na"	45.978436
"1119503"	66.031418	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2Na"	45.978436
"1407402"	44.356704	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H+2Na"	46.985712
"1432957"	133.097146	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H+HCOOH"	47.012746
"223019"	114.10664	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+3H2O+2H"	56.04448
"1516189"	147.14919	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+IsoProp+H"	61.06479
"414781"	117.060588	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+Na+K"	61.952376
"773591"	160.102788	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+Na+K"	61.952376
"1671015"	74.018388	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Na+K"	61.952376
"254981"	236.184568	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+ACN+Na"	64.015768
"1231336"	150.100168	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+ACN+Na"	64.015768
"1715848"	150.123693	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+NH4+HCOOH"	64.039293
"1178629"	51.684018	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+3Na"	68.967654
"1650119"	155.079088	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Na+HCOOH"	68.994688
"157235"	249.08784	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+2K-H"	76.91904
"597225"	335.17224	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+2K-H"	76.91904
"1085185"	163.00344	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2K-H"	76.91904
"148694"	125.047558	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"2M+2K"	77.926316
"586068"	168.089758	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"3M+2K"	77.926316
"1076048"	82.005358	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2K"	77.926316
"1104153"	165.017992	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2K+H"	78.933592
"1341266"	165.105607	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+DMSO+H"	79.021207
"1014173"	169.144776	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2ACN+H"	83.060376
"1536675"	170.138408	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+IsoProp+Na+H"	84.054008
"995468"	85.076026	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+2ACN+2H"	84.067652
"1595436"	171.053028	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+K+HCOOH"	84.968628
"1423282"	201.084538	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+H+CF3COOH"	115.000138
"1153572"	105.589301	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+3ACN+2H"	125.094202
"1702031"	218.111085	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+NH4+CF3COOH"	132.026685
"1640964"	223.06648	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+Na+CF3COOH"	136.98208
"1585363"	239.04042	"C07973"	"Piperazine;Diethylenediamine"	"C4H10N2"	"86.0844"	"M+K+CF3COOH"	152.95602
"811356"	1296.0469	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M"	0
"981611"	1277.02851	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-H2O-H"	-19.01839
"65479"	863.023990666667	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M-3H"	-3.021828
"509413"	1295.039624	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M-3H"	-3.021828
"886120"	431.008357333333	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-3H"	-3.021828
"3600"	1295.039624	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M-2H"	-2.014552
"443161"	1943.063074	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M-2H"	-2.014552
"820233"	647.016174	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-2H"	-2.014552
"81324"	2591.086524	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M-H"	-1.007276
"527090"	3887.133424	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M-H"	-1.007276
"908900"	1295.039624	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-H"	-1.007276
"55985"	2608.113071	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M-2H+NH4"	16.019271
"495545"	3904.159971	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M-2H+NH4"	16.019271
"871160"	1312.066171	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-2H+NH4"	16.019271
"35778"	2613.068466	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M-2H+Na"	20.974666
"479715"	3909.115366	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M-2H+Na"	20.974666
"852047"	1317.021566	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-2H+Na"	20.974666
"1625957"	1317.021566	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Na-2H"	20.974666
"104675"	1313.027963	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M-H+Cl"	33.962126
"536581"	1961.051413	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M-H+Cl"	33.962126
"931188"	665.004513	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-H+Cl"	33.962126
"270837"	2627.063202	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+Cl"	34.969402
"661072"	3923.110102	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+Cl"	34.969402
"1278941"	1331.016302	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Cl"	34.969402
"18218"	2629.042406	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M-2H+K"	36.948606
"466532"	3925.089306	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M-2H+K"	36.948606
"847617"	1332.995506	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-2H+K"	36.948606
"1567822"	1332.995506	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+K-2H"	36.948606
"958148"	1341.045094	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-H+HCOOH"	44.998194
"376110"	2637.092001	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+HCOOH-H"	44.998201
"360730"	2651.107651	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+Hac-H"	59.013851
"1503362"	1355.060751	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Hac-H"	59.013851
"969809"	1363.027051	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-H+NaCOOH"	66.980151
"118716"	1331.016302	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+2Cl"	69.938804
"561555"	1979.039752	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+2Cl"	69.938804
"1031447"	682.992852	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2Cl"	69.938804
"1252117"	1374.965785	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Br"	78.918885
"1319753"	1377.021772	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Cl+HCOOH"	80.974872
"1335343"	1399.003729	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Cl+NaCOOH"	102.956829
"926282"	1409.032486	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M-H+CF3COOH"	112.985586
"1303965"	1445.009164	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Cl+CF3COOH"	148.962264
"1382009"	1261.034224	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H-2H2O"	-35.012676
"1390020"	1279.0442	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H-H2O"	-17.0027
"287884"	2593.101076	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+H"	1.007276
"685407"	3889.147976	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+H"	1.007276
"1357384"	1297.054176	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H"	1.007276
"133552"	1297.054176	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+2H"	2.014552
"576400"	1945.077626	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+2H"	2.014552
"1047385"	649.030726	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2H"	2.014552
"213466"	865.038542666667	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+3H"	3.021828
"653389"	1297.054176	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+3H"	3.021828
"1166412"	433.022909333333	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+3H"	3.021828
"435519"	2610.127623	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+NH4"	18.033823
"796153"	3906.174523	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+NH4"	18.033823
"1689204"	1314.080723	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+NH4"	18.033823
"334200"	1305.5674495	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+H+NH4"	19.041099
"726620"	1953.5908995	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+H+NH4"	19.041099
"1482628"	657.5439995	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H+NH4"	19.041099
"400217"	2615.083018	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+Na"	22.989218
"763764"	3911.129918	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+Na"	22.989218
"1607120"	1319.036118	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Na"	22.989218
"317160"	1308.045147	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+H+Na"	23.996494
"711770"	1956.068597	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+H+Na"	23.996494
"1464499"	660.021697	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H+Na"	23.996494
"1059933"	440.350223333333	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2H+Na"	25.00377
"1261611"	1329.080386	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+CH3OH+H"	33.033486
"382371"	2631.056958	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+K"	38.963158
"742276"	3927.103858	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+K"	38.963158
"1542866"	1335.010058	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+K"	38.963158
"298990"	1316.032117	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+H+K"	39.970434
"691446"	1964.055567	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+H+K"	39.970434
"1445751"	668.008667	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H+K"	39.970434
"235804"	2634.127626	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+ACN+H"	42.033826
"1210140"	1338.080726	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+ACN+H"	42.033826
"1197311"	669.544001	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+ACN+2H"	43.041102
"198930"	2637.06496	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+2Na-H"	44.97116
"630108"	3933.11186	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+2Na-H"	44.97116
"1132634"	1341.01806	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2Na-H"	44.97116
"174229"	1319.036118	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+2Na"	45.978436
"614037"	1967.059568	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+2Na"	45.978436
"1119613"	671.012668	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2Na"	45.978436
"1406419"	447.677537333333	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H+2Na"	46.985712
"1431001"	1343.059646	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H+HCOOH"	47.012746
"223129"	1324.06914	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+3H2O+2H"	56.04448
"1515206"	1357.11169	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+IsoProp+H"	61.06479
"412704"	1327.023088	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+Na+K"	61.952376
"772972"	1975.046538	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+Na+K"	61.952376
"1671125"	678.999638	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Na+K"	61.952376
"252539"	2656.109568	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+ACN+Na"	64.015768
"1233633"	1360.062668	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+ACN+Na"	64.015768
"1715227"	1360.086193	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+NH4+HCOOH"	64.039293
"1179164"	455.004851333333	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+3Na"	68.967654
"1651204"	1365.041588	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Na+HCOOH"	68.994688
"157371"	2669.01284	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+2K-H"	76.91904
"598108"	3965.05974	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+2K-H"	76.91904
"1084274"	1372.96594	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2K-H"	76.91904
"145888"	1335.010058	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"2M+2K"	77.926316
"583626"	1983.033508	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"3M+2K"	77.926316
"1072877"	686.986608	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2K"	77.926316
"1104263"	1374.980492	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2K+H"	78.933592
"1340283"	1375.068107	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+DMSO+H"	79.021207
"1013190"	1379.107276	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2ACN+H"	83.060376
"1536785"	1380.100908	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+IsoProp+Na+H"	84.054008
"997766"	690.057276	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+2ACN+2H"	84.067652
"1596642"	1381.015528	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+K+HCOOH"	84.968628
"1420114"	1411.047038	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+H+CF3COOH"	115.000138
"1155869"	710.570551	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+3ACN+2H"	125.094202
"1704329"	1428.073585	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+NH4+CF3COOH"	132.026685
"1644355"	1433.02898	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+Na+CF3COOH"	136.98208
"1585473"	1449.00292	"C07974"	"Suramin"	"C51H40N6O23S6"	"1296.0469"	"M+K+CF3COOH"	152.95602
"811466"	316.1706	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M"	0
"982814"	297.15221	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-H2O-H"	-19.01839
"68869"	209.773124	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M-3H"	-3.021828
"511710"	315.163324	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M-3H"	-3.021828
"882949"	104.382924	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-3H"	-3.021828
"4804"	315.163324	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M-2H"	-2.014552
"444364"	473.248624	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M-2H"	-2.014552
"821073"	157.078024	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-2H"	-2.014552
"83256"	631.333924	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M-H"	-1.007276
"526105"	947.504524	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M-H"	-1.007276
"903906"	315.163324	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-H"	-1.007276
"52815"	648.360471	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M-2H+NH4"	16.019271
"490188"	964.531071	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M-2H+NH4"	16.019271
"864831"	332.189871	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-2H+NH4"	16.019271
"32972"	653.315866	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M-2H+Na"	20.974666
"476545"	969.486466	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M-2H+Na"	20.974666
"851066"	337.145266	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-2H+Na"	20.974666
"1623877"	337.145266	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Na-2H"	20.974666
"101503"	333.151663	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M-H+Cl"	33.962126
"541068"	491.236963	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M-H+Cl"	33.962126
"928262"	175.066363	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-H+Cl"	33.962126
"270946"	667.310602	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+Cl"	34.969402
"661304"	983.481202	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+Cl"	34.969402
"1273709"	351.140002	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Cl"	34.969402
"17237"	669.289806	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M-2H+K"	36.948606
"467735"	985.460406	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M-2H+K"	36.948606
"846269"	353.119206	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-2H+K"	36.948606
"1567932"	353.119206	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+K-2H"	36.948606
"956913"	361.168794	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-H+HCOOH"	44.998194
"372938"	677.339401	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+HCOOH-H"	44.998201
"355731"	691.355051	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+Hac-H"	59.013851
"1503108"	375.184451	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Hac-H"	59.013851
"968826"	383.150751	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-H+NaCOOH"	66.980151
"118826"	351.140002	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+2Cl"	69.938804
"559479"	509.225302	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+2Cl"	69.938804
"1028278"	193.054702	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2Cl"	69.938804
"1246762"	395.089485	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Br"	78.918885
"1310303"	397.145472	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Cl+HCOOH"	80.974872
"1323426"	419.127429	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Cl+NaCOOH"	102.956829
"922138"	429.156186	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M-H+CF3COOH"	112.985586
"1300668"	465.132864	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Cl+CF3COOH"	148.962264
"1381017"	281.157924	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H-2H2O"	-35.012676
"1390130"	299.1679	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H-H2O"	-17.0027
"287630"	633.348476	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+H"	1.007276
"685517"	949.519076	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+H"	1.007276
"1356400"	317.177876	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H"	1.007276
"132569"	317.177876	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+2H"	2.014552
"576510"	475.263176	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+2H"	2.014552
"1045307"	159.092576	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2H"	2.014552
"212117"	211.787676	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+3H"	3.021828
"649489"	317.177876	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+3H"	3.021828
"1167615"	106.397476	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+3H"	3.021828
"431981"	650.375023	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+NH4"	18.033823
"794072"	966.545623	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+NH4"	18.033823
"1691137"	334.204423	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+NH4"	18.033823
"337590"	325.6911495	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+H+NH4"	19.041099
"728188"	483.7764495	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+H+NH4"	19.041099
"1482738"	167.6058495	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H+NH4"	19.041099
"400328"	655.330418	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+Na"	22.989218
"760229"	971.501018	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+Na"	22.989218
"1611607"	339.159818	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Na"	22.989218
"320552"	328.168847	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+H+Na"	23.996494
"718442"	486.254147	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+H+Na"	23.996494
"1470077"	170.083547	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H+Na"	23.996494
"1061136"	113.72479	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2H+Na"	25.00377
"1263909"	349.204086	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+CH3OH+H"	33.033486
"381387"	671.304358	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+K"	38.963158
"743480"	987.474958	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+K"	38.963158
"1545533"	355.133758	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+K"	38.963158
"298735"	336.155817	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+H+K"	39.970434
"692941"	494.241117	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+H+K"	39.970434
"1446028"	178.070517	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H+K"	39.970434
"237551"	674.375026	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+ACN+H"	42.033826
"1210982"	358.204426	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+ACN+H"	42.033826
"1196324"	179.605851	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+ACN+2H"	43.041102
"195761"	677.31236	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+2Na-H"	44.97116
"630580"	993.48296	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+2Na-H"	44.97116
"1134444"	361.14176	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2Na-H"	44.97116
"173490"	339.159818	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+2Na"	45.978436
"614514"	497.245118	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+2Na"	45.978436
"1119723"	181.074518	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2Na"	45.978436
"1402154"	121.052104	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H+2Na"	46.985712
"1435366"	363.183346	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H+HCOOH"	47.012746
"220443"	344.19284	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+3H2O+2H"	56.04448
"1515316"	377.23539	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+IsoProp+H"	61.06479
"412814"	347.146788	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+Na+K"	61.952376
"774905"	505.232088	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+Na+K"	61.952376
"1671235"	189.061488	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Na+K"	61.952376
"251428"	696.356968	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+ACN+Na"	64.015768
"1228276"	380.186368	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+ACN+Na"	64.015768
"1714974"	380.209893	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+NH4+HCOOH"	64.039293
"1178663"	128.379418	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+3Na"	68.967654
"1650585"	385.165288	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Na+HCOOH"	68.994688
"157158"	709.26024	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+2K-H"	76.91904
"598220"	1025.43084	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+2K-H"	76.91904
"1084472"	393.08964	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2K-H"	76.91904
"146727"	355.133758	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"2M+2K"	77.926316
"587380"	513.219058	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"3M+2K"	77.926316
"1071894"	197.048458	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2K"	77.926316
"1104009"	395.104192	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2K+H"	78.933592
"1339300"	395.191807	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+DMSO+H"	79.021207
"1012206"	399.230976	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2ACN+H"	83.060376
"1533615"	400.224608	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+IsoProp+Na+H"	84.054008
"997875"	200.119126	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+2ACN+2H"	84.067652
"1597847"	401.139228	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+K+HCOOH"	84.968628
"1423505"	431.170738	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+H+CF3COOH"	115.000138
"1154886"	220.632401	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+3ACN+2H"	125.094202
"1701158"	448.197285	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+NH4+CF3COOH"	132.026685
"1644465"	453.15268	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+Na+CF3COOH"	136.98208
"1585583"	469.12662	"C07982"	"Imipramine hydrochloride"	"C19H24N2HCl"	"316.1706"	"M+K+CF3COOH"	152.95602
"813763"	298.0328	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M"	0
"987299"	279.01441	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-H2O-H"	-19.01839
"73353"	197.681257333333	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M-3H"	-3.021828
"515100"	297.025524	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M-3H"	-3.021828
"887435"	98.3369906666667	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-3H"	-3.021828
"7103"	297.025524	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M-2H"	-2.014552
"447755"	446.041924	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M-2H"	-2.014552
"823371"	148.009124	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-2H"	-2.014552
"79722"	595.058324	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M-H"	-1.007276
"525123"	893.091124	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M-H"	-1.007276
"904016"	297.025524	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-H"	-1.007276
"55112"	612.084871	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M-2H+NH4"	16.019271
"493578"	910.117671	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M-2H+NH4"	16.019271
"868100"	314.052071	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-2H+NH4"	16.019271
"34540"	617.040266	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M-2H+Na"	20.974666
"476655"	915.073066	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M-2H+Na"	20.974666
"851176"	319.007466	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-2H+Na"	20.974666
"1622894"	319.007466	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Na-2H"	20.974666
"108173"	315.013863	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M-H+Cl"	33.962126
"536801"	464.030263	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M-H+Cl"	33.962126
"930318"	165.997463	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-H+Cl"	33.962126
"271059"	631.035002	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+Cl"	34.969402
"663481"	929.067802	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+Cl"	34.969402
"1280258"	333.002202	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Cl"	34.969402
"20626"	633.014206	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M-2H+K"	36.948606
"464562"	931.047006	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M-2H+K"	36.948606
"845651"	334.981406	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-2H+K"	36.948606
"1568773"	334.981406	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+K-2H"	36.948606
"957927"	343.030994	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-H+HCOOH"	44.998194
"376207"	641.063801	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+HCOOH-H"	44.998201
"360953"	655.079451	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+Hac-H"	59.013851
"1503582"	357.046651	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Hac-H"	59.013851
"968935"	365.012951	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-H+NaCOOH"	66.980151
"120029"	333.002202	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+2Cl"	69.938804
"558495"	482.018602	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+2Cl"	69.938804
"1032762"	183.985802	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2Cl"	69.938804
"1252340"	376.951685	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Br"	78.918885
"1317705"	379.007672	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Cl+HCOOH"	80.974872
"1334107"	400.989629	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Cl+NaCOOH"	102.956829
"925165"	411.018386	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M-H+CF3COOH"	112.985586
"1301873"	446.995064	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Cl+CF3COOH"	148.962264
"1380034"	263.020124	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H-2H2O"	-35.012676
"1390238"	281.0301	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H-H2O"	-17.0027
"289196"	597.072876	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+H"	1.007276
"690366"	895.105676	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+H"	1.007276
"1357603"	299.040076	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H"	1.007276
"132678"	299.040076	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+2H"	2.014552
"577714"	448.056476	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+2H"	2.014552
"1048333"	150.023676	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2H"	2.014552
"213321"	199.695809333333	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+3H"	3.021828
"651786"	299.040076	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+3H"	3.021828
"1173192"	100.351542666667	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+3H"	3.021828
"437926"	614.099423	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+NH4"	18.033823
"797098"	912.132223	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+NH4"	18.033823
"1693799"	316.066623	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+NH4"	18.033823
"340982"	307.5533495	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+H+NH4"	19.041099
"732310"	456.5697495	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+H+NH4"	19.041099
"1485037"	158.5369495	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H+NH4"	19.041099
"401530"	619.054818	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+Na"	22.989218
"757057"	917.087618	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+Na"	22.989218
"1611717"	321.022018	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Na"	22.989218
"318474"	310.031047	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+H+Na"	23.996494
"711991"	459.047447	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+H+Na"	23.996494
"1472374"	161.014647	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H+Na"	23.996494
"1065619"	107.678856666667	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2H+Na"	25.00377
"1268392"	331.066286	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+CH3OH+H"	33.033486
"383685"	635.028758	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+K"	38.963158
"749058"	933.061558	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+K"	38.963158
"1551110"	336.995958	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+K"	38.963158
"299659"	318.018017	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+H+K"	39.970434
"696333"	467.034417	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+H+K"	39.970434
"1446872"	169.001617	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H+K"	39.970434
"238391"	638.099426	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+ACN+H"	42.033826
"1211460"	340.066626	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+ACN+H"	42.033826
"1194979"	170.536951	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+ACN+2H"	43.041102
"193684"	641.03676	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+2Na-H"	44.97116
"630693"	939.06956	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+2Na-H"	44.97116
"1134193"	343.00396	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2Na-H"	44.97116
"174696"	321.022018	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+2Na"	45.978436
"614016"	470.038418	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+2Na"	45.978436
"1122020"	172.005618	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2Na"	45.978436
"1401170"	115.006170666667	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H+2Na"	46.985712
"1440943"	345.045546	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H+HCOOH"	47.012746
"222986"	326.05504	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+3H2O+2H"	56.04448
"1512147"	359.09759	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+IsoProp+H"	61.06479
"412925"	329.008988	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+Na+K"	61.952376
"771736"	478.025388	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+Na+K"	61.952376
"1674626"	179.992588	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Na+K"	61.952376
"256771"	660.081368	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+ACN+Na"	64.015768
"1227293"	362.048568	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+ACN+Na"	64.015768
"1717272"	362.072093	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+NH4+HCOOH"	64.039293
"1181898"	122.333484666667	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+3Na"	68.967654
"1652518"	367.027488	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Na+HCOOH"	68.994688
"158284"	672.98464	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+2K-H"	76.91904
"600032"	971.01744	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+2K-H"	76.91904
"1084544"	374.95184	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2K-H"	76.91904
"142213"	336.995958	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"2M+2K"	77.926316
"585302"	486.012358	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"3M+2K"	77.926316
"1076379"	187.979558	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2K"	77.926316
"1107401"	376.966392	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2K+H"	78.933592
"1341596"	377.054007	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+DMSO+H"	79.021207
"1012316"	381.093176	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2ACN+H"	83.060376
"1531538"	382.086808	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+IsoProp+Na+H"	84.054008
"1000173"	191.050226	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+2ACN+2H"	84.067652
"1600143"	383.001428	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+K+HCOOH"	84.968628
"1423615"	413.032938	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+H+CF3COOH"	115.000138
"1154996"	211.563501	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+3ACN+2H"	125.094202
"1704548"	430.059485	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+NH4+CF3COOH"	132.026685
"1644575"	435.01488	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+Na+CF3COOH"	136.98208
"1585693"	450.98882	"C07995"	"Magnesium salicylate;Magnesium salicylate anhydrous"	"C14H10MgO6"	"298.0328"	"M+K+CF3COOH"	152.95602
"813873"	478.2832	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M"	0
"983034"	459.26481	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-H2O-H"	-19.01839
"71277"	317.848190666667	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M-3H"	-3.021828
"511931"	477.275924	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M-3H"	-3.021828
"885357"	158.420457333333	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-3H"	-3.021828
"7212"	477.275924	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M-2H"	-2.014552
"447865"	716.417524	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M-2H"	-2.014552
"822389"	238.134324	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-2H"	-2.014552
"81292"	955.559124	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M-H"	-1.007276
"526323"	1433.842324	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M-H"	-1.007276
"904126"	477.275924	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-H"	-1.007276
"56315"	972.585671	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M-2H+NH4"	16.019271
"490408"	1450.868871	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M-2H+NH4"	16.019271
"868210"	494.302471	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-2H+NH4"	16.019271
"33923"	977.541066	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M-2H+Na"	20.974666
"476765"	1455.824266	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M-2H+Na"	20.974666
"857847"	499.257866	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-2H+Na"	20.974666
"1628474"	499.257866	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Na-2H"	20.974666
"107188"	495.264263	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M-H+Cl"	33.962126
"541281"	734.405863	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M-H+Cl"	33.962126
"930427"	256.122663	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-H+Cl"	33.962126
"269708"	991.535802	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+Cl"	34.969402
"664681"	1469.819002	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+Cl"	34.969402
"1277084"	513.252602	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Cl"	34.969402
"19643"	993.515006	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M-2H+K"	36.948606
"467953"	1471.798206	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M-2H+K"	36.948606
"845760"	515.231806	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-2H+K"	36.948606
"1568152"	515.231806	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+K-2H"	36.948606
"957255"	523.281394	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-H+HCOOH"	44.998194
"375710"	1001.564601	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+HCOOH-H"	44.998201
"359231"	1015.580251	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+Hac-H"	59.013851
"1506974"	537.297051	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Hac-H"	59.013851
"971964"	545.263351	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-H+NaCOOH"	66.980151
"122329"	513.252602	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+2Cl"	69.938804
"565374"	752.394202	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+2Cl"	69.938804
"1029591"	274.111002	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2Cl"	69.938804
"1248076"	557.202085	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Br"	78.918885
"1312711"	559.258072	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Cl+HCOOH"	80.974872
"1334946"	581.240029	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Cl+NaCOOH"	102.956829
"925274"	591.268786	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M-H+CF3COOH"	112.985586
"1303441"	627.245464	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Cl+CF3COOH"	148.962264
"1380142"	443.270524	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H-2H2O"	-35.012676
"1395819"	461.2805	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H-H2O"	-17.0027
"290035"	957.573676	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+H"	1.007276
"684643"	1435.856876	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+H"	1.007276
"1361363"	479.290476	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H"	1.007276
"130604"	479.290476	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+2H"	2.014552
"580945"	718.432076	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+2H"	2.014552
"1049539"	240.148876	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2H"	2.014552
"213430"	319.862742666667	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+3H"	3.021828
"655176"	479.290476	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+3H"	3.021828
"1171116"	160.435009333333	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+3H"	3.021828
"437305"	974.600223	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+NH4"	18.033823
"798301"	1452.883423	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+NH4"	18.033823
"1689532"	496.317023	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+NH4"	18.033823
"337812"	487.8037495	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+H+NH4"	19.041099
"732420"	726.9453495	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+H+NH4"	19.041099
"1482960"	248.6621495	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H+NH4"	19.041099
"399454"	979.555618	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+Na"	22.989218
"759354"	1457.838818	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+Na"	22.989218
"1611828"	501.272418	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Na"	22.989218
"320771"	490.281447	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+H+Na"	23.996494
"712101"	729.423047	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+H+Na"	23.996494
"1472484"	251.139847	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H+Na"	23.996494
"1065729"	167.762323333333	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2H+Na"	25.00377
"1271661"	511.316686	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+CH3OH+H"	33.033486
"384889"	995.529558	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+K"	38.963158
"750261"	1473.812758	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+K"	38.963158
"1545752"	517.246358	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+K"	38.963158
"306209"	498.268417	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+H+K"	39.970434
"699724"	737.410017	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+H+K"	39.970434
"1449170"	259.126817	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H+K"	39.970434
"239230"	998.600226	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+ACN+H"	42.033826
"1212056"	520.317026	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+ACN+H"	42.033826
"1196913"	260.662151	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+ACN+2H"	43.041102
"197074"	1001.53756	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+2Na-H"	44.97116
"634448"	1479.82076	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+2Na-H"	44.97116
"1134304"	523.25436	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2Na-H"	44.97116
"176143"	501.272418	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+2Na"	45.978436
"618623"	740.414018	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+2Na"	45.978436
"1117753"	262.130818	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2Na"	45.978436
"1403466"	175.089637333333	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H+2Na"	46.985712
"1443240"	525.295946	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H+HCOOH"	47.012746
"228563"	506.30544	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+3H2O+2H"	56.04448
"1512257"	539.34799	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+IsoProp+H"	61.06479
"413035"	509.259388	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+Na+K"	61.952376
"771846"	748.400988	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+Na+K"	61.952376
"1674736"	270.117788	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Na+K"	61.952376
"256881"	1020.582168	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+ACN+Na"	64.015768
"1229951"	542.298968	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+ACN+Na"	64.015768
"1718475"	542.322493	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+NH4+HCOOH"	64.039293
"1182735"	182.416951333333	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+3Na"	68.967654
"1653720"	547.277888	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Na+HCOOH"	68.994688
"160945"	1033.48544	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+2K-H"	76.91904
"600870"	1511.76864	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+2K-H"	76.91904
"1086475"	555.20224	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2K-H"	76.91904
"143291"	517.246358	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"2M+2K"	77.926316
"584319"	756.387958	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"3M+2K"	77.926316
"1076490"	278.104758	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2K"	77.926316
"1108604"	557.216792	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2K+H"	78.933592
"1343893"	557.304407	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+DMSO+H"	79.021207
"1014612"	561.343576	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2ACN+H"	83.060376
"1534928"	562.337208	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+IsoProp+Na+H"	84.054008
"999188"	281.175426	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+2ACN+2H"	84.067652
"1595878"	563.251828	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+K+HCOOH"	84.968628
"1425910"	593.283338	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+H+CF3COOH"	115.000138
"1155106"	301.688701	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+3ACN+2H"	125.094202
"1703564"	610.309885	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+NH4+CF3COOH"	132.026685
"1637028"	615.26528	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+Na+CF3COOH"	136.98208
"1585803"	631.23922	"C07996"	"Dehydroemetine"	"C29H38N2O4"	"478.2832"	"M+K+CF3COOH"	152.95602
"815806"	182.0867	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M"	0
"985332"	163.06831	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-H2O-H"	-19.01839
"73573"	120.383857333333	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M-3H"	-3.021828
"510947"	181.079424	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M-3H"	-3.021828
"890936"	59.6882906666667	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-3H"	-3.021828
"8417"	181.079424	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M-2H"	-2.014552
"455148"	272.122774	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M-2H"	-2.014552
"823593"	90.036074	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-2H"	-2.014552
"87963"	363.166124	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M-H"	-1.007276
"529715"	545.252824	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M-H"	-1.007276
"904236"	181.079424	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-H"	-1.007276
"57520"	380.192671	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M-2H+NH4"	16.019271
"494893"	562.279371	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M-2H+NH4"	16.019271
"874881"	198.105971	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-2H+NH4"	16.019271
"40594"	385.148066	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M-2H+Na"	20.974666
"477968"	567.234766	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M-2H+Na"	20.974666
"859051"	203.061366	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-2H+Na"	20.974666
"1632958"	203.061366	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Na-2H"	20.974666
"107299"	199.067763	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M-H+Cl"	33.962126
"546860"	290.111113	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M-H+Cl"	33.962126
"937094"	108.024413	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-H+Cl"	33.962126
"273464"	399.142802	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+Cl"	34.969402
"663697"	581.229502	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+Cl"	34.969402
"1276100"	217.056102	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Cl"	34.969402
"21938"	401.122006	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M-2H+K"	36.948606
"466970"	583.208706	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M-2H+K"	36.948606
"848033"	219.035306	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-2H+K"	36.948606
"1570740"	219.035306	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+K-2H"	36.948606
"958218"	227.084894	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-H+HCOOH"	44.998194
"376907"	409.171601	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+HCOOH-H"	44.998201
"359343"	423.187251	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+Hac-H"	59.013851
"1508182"	241.100551	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Hac-H"	59.013851
"971710"	249.066851	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-H+NaCOOH"	66.980151
"123533"	217.056102	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+2Cl"	69.938804
"564066"	308.099452	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+2Cl"	69.938804
"1036597"	126.012752	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2Cl"	69.938804
"1250372"	261.005585	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Br"	78.918885
"1312821"	263.061572	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Cl+HCOOH"	80.974872
"1333961"	285.043529	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Cl+NaCOOH"	102.956829
"926114"	295.072286	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M-H+CF3COOH"	112.985586
"1304087"	331.048964	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Cl+CF3COOH"	148.962264
"1382714"	147.074024	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H-2H2O"	-35.012676
"1393739"	165.084	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H-H2O"	-17.0027
"291239"	365.180676	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+H"	1.007276
"682932"	547.267376	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+H"	1.007276
"1359650"	183.093976	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H"	1.007276
"131078"	183.093976	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+2H"	2.014552
"578665"	274.137326	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+2H"	2.014552
"1047461"	92.050626	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2H"	2.014552
"213540"	122.398409333333	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+3H"	3.021828
"654922"	183.093976	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+3H"	3.021828
"1165759"	61.7028426666667	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+3H"	3.021828
"432314"	382.207223	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+NH4"	18.033823
"796590"	564.293923	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+NH4"	18.033823
"1689642"	200.120523	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+NH4"	18.033823
"339015"	191.6072495	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+H+NH4"	19.041099
"733623"	282.6505995	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+H+NH4"	19.041099
"1485257"	100.5638995	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H+NH4"	19.041099
"400657"	387.162618	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+Na"	22.989218
"759465"	569.249318	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+Na"	22.989218
"1606471"	205.075918	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Na"	22.989218
"320882"	194.084947	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+H+Na"	23.996494
"718772"	285.128297	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+H+Na"	23.996494
"1473687"	103.041597	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H+Na"	23.996494
"1064746"	69.0301566666667	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2H+Na"	25.00377
"1269705"	215.120186	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+CH3OH+H"	33.033486
"383905"	403.136558	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+K"	38.963158
"744902"	585.223258	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+K"	38.963158
"1550236"	221.049858	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+K"	38.963158
"304130"	202.071917	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+H+K"	39.970434
"695822"	293.115267	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+H+K"	39.970434
"1449280"	111.028567	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H+K"	39.970434
"237515"	406.207226	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+ACN+H"	42.033826
"1214965"	224.120526	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+ACN+H"	42.033826
"1198849"	112.563901	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+ACN+2H"	43.041102
"189530"	409.14456	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+2Na-H"	44.97116
"630183"	591.23126	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+2Na-H"	44.97116
"1133323"	227.05786	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2Na-H"	44.97116
"175158"	205.075918	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+2Na"	45.978436
"614480"	296.119268	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+2Na"	45.978436
"1117864"	114.032568	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2Na"	45.978436
"1401389"	76.3574706666667	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H+2Na"	46.985712
"1438978"	229.099446	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H+HCOOH"	47.012746
"229766"	210.10894	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+3H2O+2H"	56.04448
"1515647"	243.15149	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+IsoProp+H"	61.06479
"413145"	213.062888	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+Na+K"	61.952376
"780702"	304.106238	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+Na+K"	61.952376
"1675939"	122.019538	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Na+K"	61.952376
"256991"	428.189168	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+ACN+Na"	64.015768
"1234071"	246.102468	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+ACN+Na"	64.015768
"1722959"	246.125993	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+NH4+HCOOH"	64.039293
"1183210"	83.6847846666667	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+3Na"	68.967654
"1656019"	251.081388	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Na+HCOOH"	68.994688
"163973"	441.09244	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+2K-H"	76.91904
"602440"	623.17914	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+2K-H"	76.91904
"1087679"	259.00574	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2K-H"	76.91904
"144495"	221.049858	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"2M+2K"	77.926316
"588803"	312.093208	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"3M+2K"	77.926316
"1078786"	130.006508	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2K"	77.926316
"1109807"	261.020292	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2K+H"	78.933592
"1346192"	261.107907	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+DMSO+H"	79.021207
"1019100"	265.147076	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2ACN+H"	83.060376
"1538320"	266.140708	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+IsoProp+Na+H"	84.054008
"1001487"	133.077176	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+2ACN+2H"	84.067652
"1599269"	267.055328	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+K+HCOOH"	84.968628
"1422742"	297.086838	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+H+CF3COOH"	115.000138
"1157404"	153.590451	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+3ACN+2H"	125.094202
"1704768"	314.113385	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+NH4+CF3COOH"	132.026685
"1641513"	319.06878	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+Na+CF3COOH"	136.98208
"1585913"	335.04272	"C07997"	"Eflornithine;DL-Ornithine 2-(difluoromethyl)-"	"C6H12F2N2O2"	"182.0867"	"M+K+CF3COOH"	152.95602
"814093"	225.0386	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M"	0
"983255"	206.02021	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-H2O-H"	-19.01839
"73684"	149.018457333333	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M-3H"	-3.021828
"511057"	224.031324	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M-3H"	-3.021828
"886673"	74.0055906666667	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-3H"	-3.021828
"8527"	224.031324	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M-2H"	-2.014552
"449182"	336.550624	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M-2H"	-2.014552
"821517"	111.512024	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-2H"	-2.014552
"85887"	449.069924	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M-H"	-1.007276
"529825"	674.108524	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M-H"	-1.007276
"907626"	224.031324	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-H"	-1.007276
"61274"	466.096471	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M-2H+NH4"	16.019271
"493909"	691.135071	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M-2H+NH4"	16.019271
"874991"	241.057871	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-2H+NH4"	16.019271
"42891"	471.051866	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M-2H+Na"	20.974666
"480266"	696.090466	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M-2H+Na"	20.974666
"859161"	246.013266	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-2H+Na"	20.974666
"1633757"	246.013266	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Na-2H"	20.974666
"105222"	242.019663	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M-H+Cl"	33.962126
"543690"	354.538963	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M-H+Cl"	33.962126
"931735"	129.500363	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-H+Cl"	33.962126
"276853"	485.046602	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+Cl"	34.969402
"663807"	710.085202	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+Cl"	34.969402
"1274388"	260.008002	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Cl"	34.969402
"19862"	487.025806	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M-2H+K"	36.948606
"465987"	712.064406	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M-2H+K"	36.948606
"848496"	261.987206	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-2H+K"	36.948606
"1571264"	261.987206	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+K-2H"	36.948606
"958123"	270.036794	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-H+HCOOH"	44.998194
"377000"	495.075401	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+HCOOH-H"	44.998201
"359448"	509.091051	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+Hac-H"	59.013851
"1507685"	284.052451	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Hac-H"	59.013851
"973278"	292.018751	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-H+NaCOOH"	66.980151
"124738"	260.008002	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+2Cl"	69.938804
"564297"	372.527302	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+2Cl"	69.938804
"1035646"	147.488702	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2Cl"	69.938804
"1250483"	303.957485	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Br"	78.918885
"1314024"	306.013472	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Cl+HCOOH"	80.974872
"1335167"	327.995429	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Cl+NaCOOH"	102.956829
"925495"	338.024186	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M-H+CF3COOH"	112.985586
"1302812"	374.000864	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Cl+CF3COOH"	148.962264
"1382627"	190.025924	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H-2H2O"	-35.012676
"1392757"	208.0359	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H-H2O"	-17.0027
"289163"	451.084476	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+H"	1.007276
"682678"	676.123076	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+H"	1.007276
"1357936"	226.045876	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H"	1.007276
"133012"	226.045876	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+2H"	2.014552
"576951"	338.565176	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+2H"	2.014552
"1046478"	113.526576	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2H"	2.014552
"213651"	151.033009333333	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+3H"	3.021828
"655763"	226.045876	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+3H"	3.021828
"1173523"	76.0201426666667	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+3H"	3.021828
"435340"	468.111023	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+NH4"	18.033823
"797428"	693.149623	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+NH4"	18.033823
"1691940"	243.072423	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+NH4"	18.033823
"341313"	234.5591495	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+H+NH4"	19.041099
"733734"	347.0784495	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+H+NH4"	19.041099
"1486460"	122.0398495	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H+NH4"	19.041099
"405142"	473.066418	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+Na"	22.989218
"759575"	698.105018	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+Na"	22.989218
"1606581"	248.027818	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Na"	22.989218
"319899"	237.036847	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+H+Na"	23.996494
"717789"	349.556147	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+H+Na"	23.996494
"1472340"	124.517547	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H+Na"	23.996494
"1064856"	83.3474566666667	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2H+Na"	25.00377
"1270787"	258.072086	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+CH3OH+H"	33.033486
"385108"	489.040358	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+K"	38.963158
"743918"	714.078958	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+K"	38.963158
"1547065"	264.001758	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+K"	38.963158
"304242"	245.023817	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+H+K"	39.970434
"693379"	357.543117	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+H+K"	39.970434
"1446835"	132.504517	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H+K"	39.970434
"239085"	492.111026	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+ACN+H"	42.033826
"1212886"	267.072426	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+ACN+H"	42.033826
"1195675"	134.039851	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+ACN+2H"	43.041102
"191098"	495.04836	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+2Na-H"	44.97116
"628534"	720.08696	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+2Na-H"	44.97116
"1133071"	270.00976	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2Na-H"	44.97116
"174539"	248.027818	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+2Na"	45.978436
"613497"	360.547118	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+2Na"	45.978436
"1115755"	135.508518	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2Na"	45.978436
"1402595"	90.6747706666667	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H+2Na"	46.985712
"1441278"	272.051346	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H+HCOOH"	47.012746
"232794"	253.06084	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+3H2O+2H"	56.04448
"1519037"	286.10339	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+IsoProp+H"	61.06479
"414349"	256.014788	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+Na+K"	61.952376
"779719"	368.534088	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+Na+K"	61.952376
"1672767"	143.495488	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Na+K"	61.952376
"259287"	514.092968	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+ACN+Na"	64.015768
"1234182"	289.054368	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+ACN+Na"	64.015768
"1720882"	289.077893	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+NH4+HCOOH"	64.039293
"1182591"	98.0020846666667	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+3Na"	68.967654
"1656128"	294.033288	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Na+HCOOH"	68.994688
"164083"	526.99624	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+2K-H"	76.91904
"604735"	752.03484	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+2K-H"	76.91904
"1087790"	301.95764	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2K-H"	76.91904
"144605"	264.001758	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"2M+2K"	77.926316
"587820"	376.521058	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"3M+2K"	77.926316
"1077803"	151.482458	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2K"	77.926316
"1112105"	303.972192	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2K+H"	78.933592
"1346302"	304.059807	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+DMSO+H"	79.021207
"1018116"	308.098976	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2ACN+H"	83.060376
"1538309"	309.092608	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+IsoProp+Na+H"	84.054008
"1002690"	154.553126	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+2ACN+2H"	84.067652
"1596099"	310.007228	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+K+HCOOH"	84.968628
"1423945"	340.038738	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+H+CF3COOH"	115.000138
"1158607"	175.066401	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+3ACN+2H"	125.094202
"1703785"	357.065285	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+NH4+CF3COOH"	132.026685
"1648184"	362.02068	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+Na+CF3COOH"	136.98208
"1586023"	377.99462	"C07999"	"Furazolidone"	"C8H7N3O5"	"225.0386"	"M+K+CF3COOH"	152.95602
"814203"	397.9965	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M"	0
"983367"	378.97811	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-H2O-H"	-19.01839
"68328"	264.323724	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M-3H"	-3.021828
"512261"	396.989224	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M-3H"	-3.021828
"880587"	131.658224	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-3H"	-3.021828
"5357"	396.989224	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M-2H"	-2.014552
"448199"	595.987474	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M-2H"	-2.014552
"823815"	197.990974	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-2H"	-2.014552
"87090"	794.985724	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M-H"	-1.007276
"531031"	1192.982224	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M-H"	-1.007276
"905548"	396.989224	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-H"	-1.007276
"58833"	812.012271	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M-2H+NH4"	16.019271
"497301"	1210.008771	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M-2H+NH4"	16.019271
"876560"	414.015771	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-2H+NH4"	16.019271
"43001"	816.967666	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M-2H+Na"	20.974666
"481469"	1214.964166	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M-2H+Na"	20.974666
"858177"	418.971166	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-2H+Na"	20.974666
"1625523"	418.971166	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Na-2H"	20.974666
"105332"	414.977563	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M-H+Cl"	33.962126
"544893"	613.975813	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M-H+Cl"	33.962126
"936219"	215.979313	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-H+Cl"	33.962126
"271496"	830.962402	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+Cl"	34.969402
"663917"	1228.958902	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+Cl"	34.969402
"1275591"	432.965902	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Cl"	34.969402
"18879"	832.941606	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M-2H+K"	36.948606
"467555"	1230.938106	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M-2H+K"	36.948606
"848290"	434.945106	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-2H+K"	36.948606
"1571199"	434.945106	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+K-2H"	36.948606
"958429"	442.994694	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-H+HCOOH"	44.998194
"376935"	840.991201	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+HCOOH-H"	44.998201
"361255"	855.006851	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+Hac-H"	59.013851
"1508381"	457.010351	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Hac-H"	59.013851
"973509"	464.976651	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-H+NaCOOH"	66.980151
"125091"	432.965902	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+2Cl"	69.938804
"564408"	631.964152	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+2Cl"	69.938804
"1035756"	233.967652	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2Cl"	69.938804
"1250593"	476.915385	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Br"	78.918885
"1314134"	478.971372	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Cl+HCOOH"	80.974872
"1333453"	500.953329	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Cl+NaCOOH"	102.956829
"925239"	510.982086	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M-H+CF3COOH"	112.985586
"1302312"	546.958764	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Cl+CF3COOH"	148.962264
"1382304"	362.983824	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H-2H2O"	-35.012676
"1390680"	380.9938	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H-H2O"	-17.0027
"287088"	797.000276	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+H"	1.007276
"682789"	1194.996776	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+H"	1.007276
"1359138"	399.003776	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H"	1.007276
"130934"	399.003776	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+2H"	2.014552
"574872"	598.002026	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+2H"	2.014552
"1043672"	200.005526	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2H"	2.014552
"206469"	266.338276	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+3H"	3.021828
"648946"	399.003776	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+3H"	3.021828
"1167071"	133.672776	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+3H"	3.021828
"433625"	814.026823	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+NH4"	18.033823
"795714"	1212.023323	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+NH4"	18.033823
"1693873"	416.030323	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+NH4"	18.033823
"339236"	407.5170495	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+H+NH4"	19.041099
"732751"	606.5152995	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+H+NH4"	19.041099
"1483289"	208.5187995	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H+NH4"	19.041099
"404158"	818.982218	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+Na"	22.989218
"758591"	1216.978718	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+Na"	22.989218
"1606691"	420.985718	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Na"	22.989218
"321102"	409.994747	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+H+Na"	23.996494
"720085"	608.992997	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+H+Na"	23.996494
"1472814"	210.996497	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H+Na"	23.996494
"1066059"	141.00009	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2H+Na"	25.00377
"1270776"	431.029986	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+CH3OH+H"	33.033486
"384125"	834.956158	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+K"	38.963158
"741841"	1232.952658	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+K"	38.963158
"1547175"	436.959658	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+K"	38.963158
"304351"	417.981717	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+H+K"	39.970434
"693125"	616.979967	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+H+K"	39.970434
"1448403"	218.983467	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H+K"	39.970434
"239196"	838.026826	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+ACN+H"	42.033826
"1212264"	440.030326	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+ACN+H"	42.033826
"1195054"	220.518801	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+ACN+2H"	43.041102
"188768"	840.96416	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+2Na-H"	44.97116
"629305"	1238.96066	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+2Na-H"	44.97116
"1131801"	442.96766	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2Na-H"	44.97116
"173551"	420.985718	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+2Na"	45.978436
"613599"	619.983968	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+2Na"	45.978436
"1116134"	221.987468	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2Na"	45.978436
"1399411"	148.327404	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H+2Na"	46.985712
"1442844"	445.009246	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H+HCOOH"	47.012746
"231082"	426.01874	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+3H2O+2H"	56.04448
"1516959"	459.06129	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+IsoProp+H"	61.06479
"411906"	428.972688	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+Na+K"	61.952376
"776911"	627.970938	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+Na+K"	61.952376
"1671055"	229.974438	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Na+K"	61.952376
"261582"	860.008768	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+ACN+Na"	64.015768
"1233199"	462.012268	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+ACN+Na"	64.015768
"1720991"	462.035793	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+NH4+HCOOH"	64.039293
"1183429"	155.654718	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+3Na"	68.967654
"1656236"	466.991188	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Na+HCOOH"	68.994688
"163826"	872.91204	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+2K-H"	76.91904
"601201"	1270.90854	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+2K-H"	76.91904
"1086808"	474.91554	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2K-H"	76.91904
"145080"	436.959658	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"2M+2K"	77.926316
"586837"	635.957908	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"3M+2K"	77.926316
"1080099"	237.961408	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2K"	77.926316
"1114160"	476.930092	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2K+H"	78.933592
"1345318"	477.017707	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+DMSO+H"	79.021207
"1020902"	481.056876	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2ACN+H"	83.060376
"1539270"	482.050508	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+IsoProp+Na+H"	84.054008
"1004987"	241.032076	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+2ACN+2H"	84.067652
"1599489"	482.965128	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+K+HCOOH"	84.968628
"1424055"	512.996638	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+H+CF3COOH"	115.000138
"1159811"	261.545351	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+3ACN+2H"	125.094202
"1703895"	530.023185	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+NH4+CF3COOH"	132.026685
"1645014"	534.97858	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+Na+CF3COOH"	136.98208
"1586133"	550.95252	"C08001"	"Melarsoprol"	"C12H15AsN6OS2"	"397.9965"	"M+K+CF3COOH"	152.95602
"812126"	287.0576	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M"	0
"983477"	268.03921	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-H2O-H"	-19.01839
"67345"	190.364457333333	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M-3H"	-3.021828
"507998"	286.050324	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M-3H"	-3.021828
"880454"	94.6785906666667	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-3H"	-3.021828
"480"	286.050324	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M-2H"	-2.014552
"446122"	429.579124	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M-2H"	-2.014552
"827205"	142.521524	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-2H"	-2.014552
"87200"	573.107924	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M-H"	-1.007276
"531140"	860.165524	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M-H"	-1.007276
"906752"	286.050324	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-H"	-1.007276
"58578"	590.134471	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M-2H+NH4"	16.019271
"497776"	877.192071	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M-2H+NH4"	16.019271
"874847"	303.076871	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-2H+NH4"	16.019271
"39831"	595.089866	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M-2H+Na"	20.974666
"481579"	882.147466	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M-2H+Na"	20.974666
"857194"	308.032266	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-2H+Na"	20.974666
"1624540"	308.032266	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Na-2H"	20.974666
"106536"	304.038663	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M-H+Cl"	33.962126
"546097"	447.567463	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M-H+Cl"	33.962126
"935236"	160.509863	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-H+Cl"	33.962126
"274886"	609.084602	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+Cl"	34.969402
"666214"	896.142202	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+Cl"	34.969402
"1273352"	322.027002	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Cl"	34.969402
"18017"	611.063806	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M-2H+K"	36.948606
"467665"	898.121406	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M-2H+K"	36.948606
"848313"	324.006206	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-2H+K"	36.948606
"1570911"	324.006206	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+K-2H"	36.948606
"957209"	332.055794	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-H+HCOOH"	44.998194
"376929"	619.113401	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+HCOOH-H"	44.998201
"361323"	633.129051	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+Hac-H"	59.013851
"1508187"	346.071451	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Hac-H"	59.013851
"973705"	354.037751	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-H+NaCOOH"	66.980151
"124596"	322.027002	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+2Cl"	69.938804
"564519"	465.555802	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+2Cl"	69.938804
"1034042"	178.498202	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2Cl"	69.938804
"1248517"	365.976485	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Br"	78.918885
"1315338"	368.032472	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Cl+HCOOH"	80.974872
"1332470"	390.014429	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Cl+NaCOOH"	102.956829
"923529"	400.043186	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M-H+CF3COOH"	112.985586
"1301327"	436.019864	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Cl+CF3COOH"	148.962264
"1380709"	252.044924	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H-2H2O"	-35.012676
"1389698"	270.0549	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H-H2O"	-17.0027
"290477"	575.122476	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+H"	1.007276
"682898"	862.180076	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+H"	1.007276
"1358155"	288.064876	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H"	1.007276
"133231"	288.064876	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+2H"	2.014552
"572795"	431.593676	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+2H"	2.014552
"1043781"	144.536076	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2H"	2.014552
"206579"	192.379009333333	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+3H"	3.021828
"646140"	288.064876	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+3H"	3.021828
"1173742"	96.6931426666667	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+3H"	3.021828
"429361"	592.149023	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+NH4"	18.033823
"791449"	879.206623	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+NH4"	18.033823
"1686690"	305.091423	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+NH4"	18.033823
"342260"	296.5781495	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+H+NH4"	19.041099
"733954"	440.1069495	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+H+NH4"	19.041099
"1482305"	153.0493495	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H+NH4"	19.041099
"404268"	597.104418	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+Na"	22.989218
"758701"	884.162018	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+Na"	22.989218
"1606801"	310.046818	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Na"	22.989218
"321212"	299.055847	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+H+Na"	23.996494
"720195"	442.584647	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+H+Na"	23.996494
"1472924"	155.527047	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H+Na"	23.996494
"1066169"	104.020456666667	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2H+Na"	25.00377
"1264567"	320.091086	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+CH3OH+H"	33.033486
"381317"	613.078358	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+K"	38.963158
"741220"	900.135958	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+K"	38.963158
"1545099"	326.020758	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+K"	38.963158
"304463"	307.042817	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+H+K"	39.970434
"694696"	450.571617	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+H+K"	39.970434
"1451798"	163.514017	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H+K"	39.970434
"238576"	616.149026	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+ACN+H"	42.033826
"1213835"	329.091426	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+ACN+H"	42.033826
"1197354"	165.049351	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+ACN+2H"	43.041102
"190952"	619.08636	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+2Na-H"	44.97116
"629416"	906.14396	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+2Na-H"	44.97116
"1133291"	332.02876	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2Na-H"	44.97116
"174024"	310.046818	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+2Na"	45.978436
"613384"	453.575618	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+2Na"	45.978436
"1117095"	166.518018	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2Na"	45.978436
"1399158"	111.347770666667	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H+2Na"	46.985712
"1442224"	334.070346	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H+HCOOH"	47.012746
"231193"	315.07984	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+3H2O+2H"	56.04448
"1517069"	348.12239	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+IsoProp+H"	61.06479
"416754"	318.033788	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+Na+K"	61.952376
"775928"	461.562588	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+Na+K"	61.952376
"1671894"	174.504988	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Na+K"	61.952376
"261692"	638.130968	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+ACN+Na"	64.015768
"1233310"	351.073368	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+ACN+Na"	64.015768
"1722194"	351.096893	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+NH4+HCOOH"	64.039293
"1182448"	118.675084666667	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+3Na"	68.967654
"1656711"	356.052288	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Na+HCOOH"	68.994688
"164665"	651.03424	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+2K-H"	76.91904
"602404"	938.09184	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+2K-H"	76.91904
"1088738"	363.97664	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2K-H"	76.91904
"143368"	326.020758	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"2M+2K"	77.926316
"584388"	469.549558	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"3M+2K"	77.926316
"1078020"	182.491958	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2K"	77.926316
"1109045"	365.991192	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2K+H"	78.933592
"1341054"	366.078807	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+DMSO+H"	79.021207
"1017242"	370.117976	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2ACN+H"	83.060376
"1537554"	371.111608	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+IsoProp+Na+H"	84.054008
"1004004"	185.562626	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+2ACN+2H"	84.067652
"1598506"	372.026228	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+K+HCOOH"	84.968628
"1424165"	402.057738	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+H+CF3COOH"	115.000138
"1154453"	206.075901	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+3ACN+2H"	125.094202
"1706192"	419.084285	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+NH4+CF3COOH"	132.026685
"1645124"	424.03968	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+Na+CF3COOH"	136.98208
"1586243"	440.01362	"C08002"	"Nifurtimox"	"C10H13N3O5S"	"287.0576"	"M+K+CF3COOH"	152.95602
"813329"	416.2536	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M"	0
"983587"	397.23521	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-H2O-H"	-19.01839
"72921"	276.495124	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M-3H"	-3.021828
"508108"	415.246324	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M-3H"	-3.021828
"882630"	137.743924	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-3H"	-3.021828
"958"	415.246324	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M-2H"	-2.014552
"446232"	623.373124	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M-2H"	-2.014552
"827315"	207.119524	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-2H"	-2.014552
"80138"	831.499924	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M-H"	-1.007276
"529058"	1247.753524	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M-H"	-1.007276
"906862"	415.246324	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-H"	-1.007276
"54677"	848.526471	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M-2H+NH4"	16.019271
"497519"	1264.780071	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M-2H+NH4"	16.019271
"875321"	432.272871	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-2H+NH4"	16.019271
"36660"	853.481866	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M-2H+Na"	20.974666
"479503"	1269.735466	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M-2H+Na"	20.974666
"856211"	437.228266	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-2H+Na"	20.974666
"1624650"	437.228266	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Na-2H"	20.974666
"101178"	433.234663	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M-H+Cl"	33.962126
"539644"	641.361463	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M-H+Cl"	33.962126
"928905"	225.107863	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-H+Cl"	33.962126
"268435"	867.476602	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+Cl"	34.969402
"663044"	1283.730202	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+Cl"	34.969402
"1276540"	451.223002	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Cl"	34.969402
"19099"	869.455806	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M-2H+K"	36.948606
"465221"	1285.709406	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M-2H+K"	36.948606
"847292"	453.202206	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-2H+K"	36.948606
"1569809"	453.202206	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+K-2H"	36.948606
"957318"	461.251794	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-H+HCOOH"	44.998194
"375905"	877.505401	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+HCOOH-H"	44.998201
"359785"	891.521051	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+Hac-H"	59.013851
"1508245"	475.267451	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Hac-H"	59.013851
"974099"	483.233751	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-H+NaCOOH"	66.980151
"125072"	451.223002	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+2Cl"	69.938804
"565238"	659.349802	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+2Cl"	69.938804
"1034152"	243.096202	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2Cl"	69.938804
"1250813"	495.172485	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Br"	78.918885
"1313261"	497.228472	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Cl+HCOOH"	80.974872
"1328569"	519.210429	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Cl+NaCOOH"	102.956829
"922909"	529.239186	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M-H+CF3COOH"	112.985586
"1300709"	565.215864	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Cl+CF3COOH"	148.962264
"1379236"	381.240924	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H-2H2O"	-35.012676
"1393454"	399.2509	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H-H2O"	-17.0027
"289494"	833.514476	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+H"	1.007276
"681916"	1249.768076	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+H"	1.007276
"1356079"	417.260876	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H"	1.007276
"130061"	417.260876	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+2H"	2.014552
"572541"	625.387676	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+2H"	2.014552
"1043891"	209.134076	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2H"	2.014552
"209606"	278.509676	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+3H"	3.021828
"651353"	417.260876	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+3H"	3.021828
"1170572"	139.758476	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+3H"	3.021828
"429471"	850.541023	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+NH4"	18.033823
"787183"	1266.794623	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+NH4"	18.033823
"1683520"	434.287423	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+NH4"	18.033823
"339454"	425.7741495	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+H+NH4"	19.041099
"732970"	633.9009495	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+H+NH4"	19.041099
"1482415"	217.6473495	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H+NH4"	19.041099
"398908"	855.496418	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+Na"	22.989218
"760998"	1271.750018	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+Na"	22.989218
"1609097"	439.242818	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Na"	22.989218
"321322"	428.251847	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+H+Na"	23.996494
"711556"	636.378647	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+H+Na"	23.996494
"1466469"	220.125047	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H+Na"	23.996494
"1058619"	147.08579	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2H+Na"	25.00377
"1260300"	449.287086	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+CH3OH+H"	33.033486
"379970"	871.470358	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+K"	38.963158
"740600"	1287.723958	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+K"	38.963158
"1547396"	455.216758	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+K"	38.963158
"305666"	436.238817	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+H+K"	39.970434
"696995"	644.365617	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+H+K"	39.970434
"1449721"	228.112017	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H+K"	39.970434
"238686"	874.541026	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+ACN+H"	42.033826
"1213215"	458.287426	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+ACN+H"	42.033826
"1196734"	229.647351	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+ACN+2H"	43.041102
"191425"	877.47836	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+2Na-H"	44.97116
"629892"	1293.73196	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+2Na-H"	44.97116
"1133400"	461.22476	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2Na-H"	44.97116
"173648"	439.242818	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+2Na"	45.978436
"614427"	647.369618	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+2Na"	45.978436
"1118665"	231.116018	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2Na"	45.978436
"1398781"	154.413104	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H+2Na"	46.985712
"1433216"	463.266346	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H+HCOOH"	47.012746
"231298"	444.27584	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+3H2O+2H"	56.04448
"1518267"	477.31839	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+IsoProp+H"	61.06479
"419051"	447.229788	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+Na+K"	61.952376
"782600"	655.356588	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+Na+K"	61.952376
"1670911"	239.102988	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Na+K"	61.952376
"260345"	896.522968	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+ACN+Na"	64.015768
"1231962"	480.269368	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+ACN+Na"	64.015768
"1721940"	480.292893	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+NH4+HCOOH"	64.039293
"1184379"	161.740418	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+3Na"	68.967654
"1654998"	485.248288	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Na+HCOOH"	68.994688
"163682"	909.42624	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+2K-H"	76.91904
"603243"	1325.67984	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+2K-H"	76.91904
"1088120"	493.17264	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2K-H"	76.91904
"144573"	455.216758	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"2M+2K"	77.926316
"584861"	663.343558	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"3M+2K"	77.926316
"1078130"	247.089958	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2K"	77.926316
"1109156"	495.187192	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2K+H"	78.933592
"1338976"	495.274807	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+DMSO+H"	79.021207
"1016259"	499.313976	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2ACN+H"	83.060376
"1533290"	500.307608	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+IsoProp+Na+H"	84.054008
"1004114"	250.160626	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+2ACN+2H"	84.067652
"1598617"	501.222228	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+K+HCOOH"	84.968628
"1424275"	531.253738	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+H+CF3COOH"	115.000138
"1153469"	270.673901	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+3ACN+2H"	125.094202
"1704115"	548.280285	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+NH4+CF3COOH"	132.026685
"1645234"	553.23568	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+Na+CF3COOH"	136.98208
"1586353"	569.20962	"C08005"	"Alfentanil"	"C21H32N6O3"	"416.2536"	"M+K+CF3COOH"	152.95602
"813439"	467.3036	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M"	0
"985884"	448.28521	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-H2O-H"	-19.01839
"71937"	310.528457333333	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M-3H"	-3.021828
"511500"	466.296324	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M-3H"	-3.021828
"886020"	154.760590666667	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-3H"	-3.021828
"2407"	466.296324	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M-2H"	-2.014552
"443062"	699.948124	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M-2H"	-2.014552
"826332"	232.644524	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-2H"	-2.014552
"79884"	933.599924	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M-H"	-1.007276
"519569"	1400.903524	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M-H"	-1.007276
"898223"	466.296324	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-H"	-1.007276
"47612"	950.626471	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M-2H+NH4"	16.019271
"492158"	1417.930071	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M-2H+NH4"	16.019271
"873244"	483.322871	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-2H+NH4"	16.019271
"34583"	955.581866	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M-2H+Na"	20.974666
"479612"	1422.885466	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M-2H+Na"	20.974666
"850853"	488.278266	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-2H+Na"	20.974666
"1622571"	488.278266	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Na-2H"	20.974666
"98007"	484.284663	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M-H+Cl"	33.962126
"535623"	717.936463	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M-H+Cl"	33.962126
"927796"	250.632863	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-H+Cl"	33.962126
"267932"	969.576602	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+Cl"	34.969402
"660187"	1436.880202	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+Cl"	34.969402
"1273156"	502.273002	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Cl"	34.969402
"20302"	971.555806	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M-2H+K"	36.948606
"465331"	1438.859406	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M-2H+K"	36.948606
"848249"	504.252206	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-2H+K"	36.948606
"1571011"	504.252206	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+K-2H"	36.948606
"957792"	512.301794	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-H+HCOOH"	44.998194
"376621"	979.605401	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+HCOOH-H"	44.998201
"359165"	993.621051	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+Hac-H"	59.013851
"1507757"	526.317451	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Hac-H"	59.013851
"973968"	534.283751	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-H+NaCOOH"	66.980151
"125302"	502.273002	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+2Cl"	69.938804
"564374"	735.924802	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+2Cl"	69.938804
"1034990"	268.621202	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2Cl"	69.938804
"1250923"	546.222485	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Br"	78.918885
"1314100"	548.278472	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Cl+HCOOH"	80.974872
"1330865"	570.260429	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Cl+NaCOOH"	102.956829
"924477"	580.289186	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M-H+CF3COOH"	112.985586
"1299361"	616.265864	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Cl+CF3COOH"	148.962264
"1378981"	432.290924	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H-2H2O"	-35.012676
"1391011"	450.3009	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H-H2O"	-17.0027
"286322"	935.614476	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+H"	1.007276
"687859"	1402.918076	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+H"	1.007276
"1356189"	468.310876	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H"	1.007276
"132358"	468.310876	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+2H"	2.014552
"572651"	701.962676	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+2H"	2.014552
"1040721"	234.659076	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2H"	2.014552
"207529"	312.543009333333	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+3H"	3.021828
"651463"	468.310876	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+3H"	3.021828
"1170682"	156.775142666667	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+3H"	3.021828
"429581"	952.641023	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+NH4"	18.033823
"787657"	1419.944623	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+NH4"	18.033823
"1682658"	485.337423	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+NH4"	18.033823
"339564"	476.8241495	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+H+NH4"	19.041099
"733080"	710.4759495	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+H+NH4"	19.041099
"1482525"	243.1723495	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H+NH4"	19.041099
"399018"	957.596418	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+Na"	22.989218
"761108"	1424.900018	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+Na"	22.989218
"1608113"	490.292818	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Na"	22.989218
"322525"	479.301847	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+H+Na"	23.996494
"711666"	712.953647	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+H+Na"	23.996494
"1464755"	245.650047	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H+Na"	23.996494
"1056906"	164.102456666667	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2H+Na"	25.00377
"1259680"	500.337086	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+CH3OH+H"	33.033486
"379348"	973.570358	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+K"	38.963158
"742167"	1440.873958	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+K"	38.963158
"1542037"	506.266758	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+K"	38.963158
"304683"	487.288817	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+H+K"	39.970434
"694918"	720.940617	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+H+K"	39.970434
"1448738"	253.637017	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H+K"	39.970434
"237704"	976.641026	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+ACN+H"	42.033826
"1211864"	509.337426	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+ACN+H"	42.033826
"1195747"	255.172351	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+ACN+2H"	43.041102
"190926"	979.57836	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+2Na-H"	44.97116
"629515"	1446.88196	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+2Na-H"	44.97116
"1131883"	512.27476	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2Na-H"	44.97116
"173393"	490.292818	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+2Na"	45.978436
"613319"	723.944618	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+2Na"	45.978436
"1116101"	256.641018	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2Na"	45.978436
"1399135"	171.429770666667	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H+2Na"	46.985712
"1432962"	514.316346	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H+HCOOH"	47.012746
"228128"	495.32584	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+3H2O+2H"	56.04448
"1518377"	528.36839	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+IsoProp+H"	61.06479
"419889"	498.279788	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+Na+K"	61.952376
"781616"	731.931588	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+Na+K"	61.952376
"1671020"	264.627988	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Na+K"	61.952376
"256809"	998.622968	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+ACN+Na"	64.015768
"1231343"	531.319368	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+ACN+Na"	64.015768
"1723510"	531.342893	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+NH4+HCOOH"	64.039293
"1183396"	178.757084666667	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+3Na"	68.967654
"1657661"	536.298288	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Na+HCOOH"	68.994688
"163063"	1011.52624	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+2K-H"	76.91904
"601894"	1478.82984	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+2K-H"	76.91904
"1087136"	544.22264	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2K-H"	76.91904
"143955"	506.266758	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"2M+2K"	77.926316
"584242"	739.918558	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"3M+2K"	77.926316
"1079333"	272.614958	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2K"	77.926316
"1104891"	546.237192	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2K+H"	78.933592
"1337628"	546.324807	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+DMSO+H"	79.021207
"1015276"	550.363976	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2ACN+H"	83.060376
"1533400"	551.357608	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+IsoProp+Na+H"	84.054008
"1003131"	275.685626	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+2ACN+2H"	84.067652
"1599820"	552.272228	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+K+HCOOH"	84.968628
"1423292"	582.303738	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+H+CF3COOH"	115.000138
"1153579"	296.198901	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+3ACN+2H"	125.094202
"1705318"	599.330285	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+NH4+CF3COOH"	132.026685
"1645344"	604.28568	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+Na+CF3COOH"	136.98208
"1586463"	620.25962	"C08007"	"Buprenorphine"	"C29H41NO4"	"467.3036"	"M+K+CF3COOH"	152.95602
"812456"	245.178	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M"	0
"985995"	226.15961	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-H2O-H"	-19.01839
"74237"	162.444724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M-3H"	-3.021828
"507236"	244.170724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M-3H"	-3.021828
"886130"	80.718724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-3H"	-3.021828
"2519"	244.170724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M-2H"	-2.014552
"443172"	366.759724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M-2H"	-2.014552
"820975"	121.581724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-2H"	-2.014552
"79873"	489.348724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M-H"	-1.007276
"518828"	734.526724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M-H"	-1.007276
"898333"	244.170724	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-H"	-1.007276
"47354"	506.375271	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M-2H+NH4"	16.019271
"491175"	751.553271	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M-2H+NH4"	16.019271
"872262"	261.197271	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-2H+NH4"	16.019271
"35787"	511.330666	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M-2H+Na"	20.974666
"475348"	756.508666	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M-2H+Na"	20.974666
"850963"	266.152666	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-2H+Na"	20.974666
"1619522"	266.152666	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Na-2H"	20.974666
"99211"	262.159063	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M-H+Cl"	33.962126
"535732"	384.748063	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M-H+Cl"	33.962126
"927909"	139.570063	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-H+Cl"	33.962126
"267802"	525.325402	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+Cl"	34.969402
"660179"	770.503402	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+Cl"	34.969402
"1273190"	280.147402	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Cl"	34.969402
"19319"	527.304606	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M-2H+K"	36.948606
"456281"	772.482606	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M-2H+K"	36.948606
"844338"	282.126606	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-2H+K"	36.948606
"1566731"	282.126606	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+K-2H"	36.948606
"957535"	290.176194	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-H+HCOOH"	44.998194
"375028"	535.354201	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+HCOOH-H"	44.998201
"355624"	549.369851	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+Hac-H"	59.013851
"1506651"	304.191851	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Hac-H"	59.013851
"972005"	312.158151	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-H+NaCOOH"	66.980151
"124193"	280.147402	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+2Cl"	69.938804
"563389"	402.736402	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+2Cl"	69.938804
"1033644"	157.558402	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2Cl"	69.938804
"1252855"	324.096885	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Br"	78.918885
"1312387"	326.152872	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Cl+HCOOH"	80.974872
"1332798"	348.134829	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Cl+NaCOOH"	102.956829
"924219"	358.163586	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M-H+CF3COOH"	112.985586
"1298741"	394.140264	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Cl+CF3COOH"	148.962264
"1379819"	210.165324	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H-2H2O"	-35.012676
"1395129"	228.1753	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H-H2O"	-17.0027
"286433"	491.363276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+H"	1.007276
"685417"	736.541276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+H"	1.007276
"1357392"	246.185276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H"	1.007276
"134293"	246.185276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+2H"	2.014552
"574220"	368.774276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+2H"	2.014552
"1044111"	123.596276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2H"	2.014552
"209826"	164.459276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+3H"	3.021828
"654489"	246.185276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+3H"	3.021828
"1169699"	82.733276	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+3H"	3.021828
"432971"	508.389823	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+NH4"	18.033823
"792871"	753.567823	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+NH4"	18.033823
"1681672"	263.211823	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+NH4"	18.033823
"330145"	254.6985495	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+H+NH4"	19.041099
"722970"	377.2875495	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+H+NH4"	19.041099
"1477204"	132.1095495	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H+NH4"	19.041099
"393656"	513.345218	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+Na"	22.989218
"757936"	758.523218	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+Na"	22.989218
"1603035"	268.167218	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Na"	22.989218
"316068"	257.176247	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+H+Na"	23.996494
"711773"	379.765247	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+H+Na"	23.996494
"1461339"	134.587247	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H+Na"	23.996494
"1054099"	90.06059	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2H+Na"	25.00377
"1258698"	278.211486	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+CH3OH+H"	33.033486
"380554"	529.319158	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+K"	38.963158
"739727"	774.497158	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+K"	38.963158
"1542149"	284.141158	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+K"	38.963158
"304794"	265.163217	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+H+K"	39.970434
"695028"	387.752217	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+H+K"	39.970434
"1451035"	142.574217	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H+K"	39.970434
"240730"	532.389826	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+ACN+H"	42.033826
"1212706"	287.211826	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+ACN+H"	42.033826
"1195861"	144.109551	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+ACN+2H"	43.041102
"191282"	535.32716	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+2Na-H"	44.97116
"629990"	780.50516	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+2Na-H"	44.97116
"1131752"	290.14916	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2Na-H"	44.97116
"173135"	268.167218	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+2Na"	45.978436
"613311"	390.756218	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+2Na"	45.978436
"1116816"	145.578218	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2Na"	45.978436
"1399122"	97.387904	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H+2Na"	46.985712
"1430101"	292.190746	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H+HCOOH"	47.012746
"228238"	273.20024	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+3H2O+2H"	56.04448
"1518487"	306.24279	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+IsoProp+H"	61.06479
"414167"	276.154188	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+Na+K"	61.952376
"780267"	398.743188	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+Na+K"	61.952376
"1671130"	153.565188	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Na+K"	61.952376
"252181"	554.371768	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+ACN+Na"	64.015768
"1227808"	309.193768	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+ACN+Na"	64.015768
"1717421"	309.217293	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+NH4+HCOOH"	64.039293
"1179250"	104.715218	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+3Na"	68.967654
"1650842"	314.172688	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Na+HCOOH"	68.994688
"159162"	567.27504	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+2K-H"	76.91904
"597504"	812.45304	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+2K-H"	76.91904
"1084893"	322.09704	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2K-H"	76.91904
"142243"	284.141158	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"2M+2K"	77.926316
"582041"	406.730158	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"3M+2K"	77.926316
"1072881"	161.552158	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2K"	77.926316
"1105001"	324.111592	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2K+H"	78.933592
"1336645"	324.199207	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+DMSO+H"	79.021207
"1016479"	328.238376	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2ACN+H"	83.060376
"1531324"	329.232008	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+IsoProp+Na+H"	84.054008
"1003971"	164.622826	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+2ACN+2H"	84.067652
"1602240"	330.146628	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+K+HCOOH"	84.968628
"1423402"	360.178138	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+H+CF3COOH"	115.000138
"1152596"	185.136101	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+3ACN+2H"	125.094202
"1705428"	377.204685	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+NH4+CF3COOH"	132.026685
"1645454"	382.16008	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+Na+CF3COOH"	136.98208
"1586573"	398.13402	"C08010"	"Dezocine"	"C16H23NO"	"245.178"	"M+K+CF3COOH"	152.95602
"814754"	353.2355	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M"	0
"987561"	334.21711	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-H2O-H"	-19.01839
"72156"	234.483057333333	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M-3H"	-3.021828
"512813"	352.228224	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M-3H"	-3.021828
"885146"	116.737890666667	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-3H"	-3.021828
"522"	352.228224	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M-2H"	-2.014552
"440285"	528.845974	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M-2H"	-2.014552
"822176"	175.610474	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-2H"	-2.014552
"81074"	705.463724	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M-H"	-1.007276
"518603"	1058.699224	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M-H"	-1.007276
"895880"	352.228224	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-H"	-1.007276
"47339"	722.490271	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M-2H+NH4"	16.019271
"488125"	1075.725771	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M-2H+NH4"	16.019271
"870182"	369.254771	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-2H+NH4"	16.019271
"31596"	727.445666	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M-2H+Na"	20.974666
"475458"	1080.681166	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M-2H+Na"	20.974666
"848800"	374.210166	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-2H+Na"	20.974666
"1621698"	374.210166	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Na-2H"	20.974666
"98227"	370.216563	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M-H+Cl"	33.962126
"534358"	546.834313	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M-H+Cl"	33.962126
"927572"	193.598813	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-H+Cl"	33.962126
"267384"	741.440402	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+Cl"	34.969402
"660326"	1094.675902	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+Cl"	34.969402
"1275777"	388.204902	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Cl"	34.969402
"21616"	743.419606	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M-2H+K"	36.948606
"458987"	1096.655106	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M-2H+K"	36.948606
"843720"	390.184106	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-2H+K"	36.948606
"1564655"	390.184106	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+K-2H"	36.948606
"951445"	398.233694	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-H+HCOOH"	44.998194
"370754"	751.469201	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+HCOOH-H"	44.998201
"360112"	765.484851	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+Hac-H"	59.013851
"1507369"	412.249351	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Hac-H"	59.013851
"973697"	420.215651	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-H+NaCOOH"	66.980151
"122845"	388.204902	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+2Cl"	69.938804
"564593"	564.822652	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+2Cl"	69.938804
"1034482"	211.587152	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2Cl"	69.938804
"1254424"	432.154385	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Br"	78.918885
"1313591"	434.210372	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Cl+HCOOH"	80.974872
"1335098"	456.192329	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Cl+NaCOOH"	102.956829
"924695"	466.221086	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M-H+CF3COOH"	112.985586
"1301771"	502.197764	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Cl+CF3COOH"	148.962264
"1379932"	318.222824	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H-2H2O"	-35.012676
"1396699"	336.2328	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H-H2O"	-17.0027
"294926"	707.478276	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+H"	1.007276
"687351"	1060.713776	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+H"	1.007276
"1355315"	354.242776	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H"	1.007276
"132578"	354.242776	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+2H"	2.014552
"576883"	530.860526	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+2H"	2.014552
"1044952"	177.625026	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2H"	2.014552
"213218"	236.497609333333	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+3H"	3.021828
"653872"	354.242776	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+3H"	3.021828
"1173819"	118.752442666667	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+3H"	3.021828
"434904"	724.504823	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+NH4"	18.033823
"794806"	1077.740323	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+NH4"	18.033823
"1682757"	371.269323	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+NH4"	18.033823
"330381"	362.7560495	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+H+NH4"	19.041099
"723083"	539.3737995	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+H+NH4"	19.041099
"1478003"	186.1382995	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H+NH4"	19.041099
"393889"	729.460218	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+Na"	22.989218
"761326"	1082.695718	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+Na"	22.989218
"1612704"	376.224718	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Na"	22.989218
"318366"	365.233747	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+H+Na"	23.996494
"715163"	541.851497	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+H+Na"	23.996494
"1462664"	188.615997	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H+Na"	23.996494
"1056762"	126.079756666667	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2H+Na"	25.00377
"1258443"	386.268986	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+CH3OH+H"	33.033486
"379207"	745.434158	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+K"	38.963158
"741294"	1098.669658	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+K"	38.963158
"1542623"	392.198658	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+K"	38.963158
"305997"	373.220717	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+H+K"	39.970434
"695138"	549.838467	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+H+K"	39.970434
"1452238"	196.602967	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H+K"	39.970434
"240840"	748.504826	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+ACN+H"	42.033826
"1214641"	395.269326	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+ACN+H"	42.033826
"1195609"	198.138301	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+ACN+2H"	43.041102
"189813"	751.44216	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+2Na-H"	44.97116
"630586"	1104.67766	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+2Na-H"	44.97116
"1132512"	398.20666	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2Na-H"	44.97116
"173412"	376.224718	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+2Na"	45.978436
"613299"	552.842468	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+2Na"	45.978436
"1116073"	199.606968	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2Na"	45.978436
"1398706"	133.407070666667	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H+2Na"	46.985712
"1429995"	400.248246	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H+HCOOH"	47.012746
"225068"	381.25774	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+3H2O+2H"	56.04448
"1518597"	414.30029	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+IsoProp+H"	61.06479
"412454"	384.211688	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+Na+K"	61.952376
"779283"	560.829438	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+Na+K"	61.952376
"1671240"	207.593938	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Na+K"	61.952376
"251637"	770.486768	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+ACN+Na"	64.015768
"1230469"	417.251268	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+ACN+Na"	64.015768
"1716437"	417.274793	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+NH4+HCOOH"	64.039293
"1179360"	140.734384666667	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+3Na"	68.967654
"1651317"	422.230188	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Na+HCOOH"	68.994688
"157691"	783.39004	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+2K-H"	76.91904
"599195"	1136.62554	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+2K-H"	76.91904
"1084556"	430.15454	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2K-H"	76.91904
"142717"	392.198658	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"2M+2K"	77.926316
"582272"	568.816408	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"3M+2K"	77.926316
"1075177"	215.580908	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2K"	77.926316
"1105107"	432.169092	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2K+H"	78.933592
"1339306"	432.256707	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+DMSO+H"	79.021207
"1014402"	436.295876	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2ACN+H"	83.060376
"1532525"	437.289508	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+IsoProp+Na+H"	84.054008
"993505"	218.651576	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+2ACN+2H"	84.067652
"1592383"	438.204128	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+K+HCOOH"	84.968628
"1422418"	468.235638	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+H+CF3COOH"	115.000138
"1151612"	239.164851	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+3ACN+2H"	125.094202
"1705538"	485.262185	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+NH4+CF3COOH"	132.026685
"1649575"	490.21758	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+Na+CF3COOH"	136.98208
"1586683"	506.19152	"C08012"	"Levomethadyl acetate;LAAM"	"C23H31NO2"	"353.2355"	"M+K+CF3COOH"	152.95602
"807208"	257.178	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M"	0
"987305"	238.15961	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-H2O-H"	-19.01839
"70079"	170.444724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M-3H"	-3.021828
"509640"	256.170724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M-3H"	-3.021828
"889630"	84.718724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-3H"	-3.021828
"915"	256.170724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M-2H"	-2.014552
"445579"	384.759724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M-2H"	-2.014552
"822286"	127.581724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-2H"	-2.014552
"81185"	513.348724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M-H"	-1.007276
"519162"	770.526724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M-H"	-1.007276
"896478"	256.170724	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-H"	-1.007276
"47935"	530.375271	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M-2H+NH4"	16.019271
"488356"	787.553271	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M-2H+NH4"	16.019271
"871385"	273.197271	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-2H+NH4"	16.019271
"31747"	535.330666	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M-2H+Na"	20.974666
"476661"	792.508666	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M-2H+Na"	20.974666
"849360"	278.152666	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-2H+Na"	20.974666
"1621808"	278.152666	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Na-2H"	20.974666
"98337"	274.159063	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M-H+Cl"	33.962126
"534694"	402.748063	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M-H+Cl"	33.962126
"928250"	145.570063	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-H+Cl"	33.962126
"268266"	549.325402	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+Cl"	34.969402
"660803"	806.503402	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+Cl"	34.969402
"1275887"	292.147402	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Cl"	34.969402
"26099"	551.304606	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M-2H+K"	36.948606
"460191"	808.482606	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M-2H+K"	36.948606
"843830"	294.126606	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-2H+K"	36.948606
"1568410"	294.126606	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+K-2H"	36.948606
"955564"	302.176194	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-H+HCOOH"	44.998194
"371957"	559.354201	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+HCOOH-H"	44.998201
"359858"	573.369851	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+Hac-H"	59.013851
"1506138"	316.191851	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Hac-H"	59.013851
"972227"	324.158151	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-H+NaCOOH"	66.980151
"124051"	292.147402	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+2Cl"	69.938804
"564584"	420.736402	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+2Cl"	69.938804
"1034956"	163.558402	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2Cl"	69.938804
"1252711"	336.096885	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Br"	78.918885
"1319173"	338.152872	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Cl+HCOOH"	80.974872
"1334479"	360.134829	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Cl+NaCOOH"	102.956829
"924442"	370.163586	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M-H+CF3COOH"	112.985586
"1303710"	406.140264	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Cl+CF3COOH"	148.962264
"1382543"	222.165324	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H-2H2O"	-35.012676
"1397174"	240.1753	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H-H2O"	-17.0027
"296495"	515.363276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+H"	1.007276
"690500"	772.541276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+H"	1.007276
"1362714"	258.185276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H"	1.007276
"135967"	258.185276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+2H"	2.014552
"576627"	386.774276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+2H"	2.014552
"1045426"	129.596276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2H"	2.014552
"212234"	172.459276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+3H"	3.021828
"652888"	258.185276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+3H"	3.021828
"1174293"	86.733276	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+3H"	3.021828
"433191"	532.389823	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+NH4"	18.033823
"792000"	789.567823	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+NH4"	18.033823
"1682258"	275.211823	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+NH4"	18.033823
"330654"	266.6985495	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+H+NH4"	19.041099
"723558"	395.2875495	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+H+NH4"	19.041099
"1478478"	138.1095495	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H+NH4"	19.041099
"394000"	537.345218	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+Na"	22.989218
"762529"	794.523218	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+Na"	22.989218
"1610627"	280.167218	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Na"	22.989218
"318475"	269.176247	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+H+Na"	23.996494
"715273"	397.765247	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+H+Na"	23.996494
"1463018"	140.587247	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H+Na"	23.996494
"1056870"	94.06059	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2H+Na"	25.00377
"1264017"	290.211486	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+CH3OH+H"	33.033486
"381499"	553.319158	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+K"	38.963158
"741404"	810.497158	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+K"	38.963158
"1542733"	296.141158	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+K"	38.963158
"306107"	277.163217	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+H+K"	39.970434
"695248"	405.752217	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+H+K"	39.970434
"1452348"	148.574217	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H+K"	39.970434
"240950"	556.389826	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+ACN+H"	42.033826
"1216937"	299.211826	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+ACN+H"	42.033826
"1195354"	150.109551	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+ACN+2H"	43.041102
"190774"	559.32716	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+2Na-H"	44.97116
"630088"	816.50516	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+2Na-H"	44.97116
"1132865"	302.14916	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2Na-H"	44.97116
"174330"	280.167218	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+2Na"	45.978436
"613770"	408.756218	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+2Na"	45.978436
"1115943"	151.578218	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2Na"	45.978436
"1398862"	101.387904	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H+2Na"	46.985712
"1429962"	304.190746	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H+HCOOH"	47.012746
"227363"	285.20024	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+3H2O+2H"	56.04448
"1519800"	318.24279	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+IsoProp+H"	61.06479
"418395"	288.154188	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+Na+K"	61.952376
"771008"	416.743188	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+Na+K"	61.952376
"1666486"	159.565188	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Na+K"	61.952376
"258960"	578.371768	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+ACN+Na"	64.015768
"1226567"	321.193768	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+ACN+Na"	64.015768
"1715090"	321.217293	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+NH4+HCOOH"	64.039293
"1178661"	108.715218	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+3Na"	68.967654
"1651429"	326.172688	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Na+HCOOH"	68.994688
"157316"	591.27504	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+2K-H"	76.91904
"597847"	848.45304	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+2K-H"	76.91904
"1085277"	334.09704	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2K-H"	76.91904
"142823"	296.141158	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"2M+2K"	77.926316
"582382"	424.730158	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"3M+2K"	77.926316
"1076381"	167.552158	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2K"	77.926316
"1104123"	336.111592	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2K+H"	78.933592
"1339415"	336.199207	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+DMSO+H"	79.021207
"1012324"	340.238376	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2ACN+H"	83.060376
"1531542"	341.232008	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+IsoProp+Na+H"	84.054008
"993615"	170.622826	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+2ACN+2H"	84.067652
"1593586"	342.146628	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+K+HCOOH"	84.968628
"1423621"	372.178138	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+H+CF3COOH"	115.000138
"1155002"	191.136101	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+3ACN+2H"	125.094202
"1705648"	389.204685	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+NH4+CF3COOH"	132.026685
"1649564"	394.16008	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+Na+CF3COOH"	136.98208
"1586793"	410.13402	"C08014"	"Levorphanol"	"C17H23NO"	"257.178"	"M+K+CF3COOH"	152.95602
"807318"	315.1471	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M"	0
"987781"	296.12871	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"70189"	209.090790666667	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"511936"	314.139824	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"891926"	104.041757333333	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"9409"	314.139824	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"450062"	471.713374	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"823490"	156.566274	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"85669"	629.286924	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"520860"	944.434024	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"898661"	314.139824	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"48296"	646.313471	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"491504"	961.460571	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"871495"	331.166371	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"33928"	651.268866	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"475678"	966.415966	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"849469"	336.121766	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1625200"	336.121766	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"101728"	332.128163	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"541287"	489.701713	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"934803"	174.554613	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"272265"	665.263602	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"665780"	980.410702	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1277091"	350.116502	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"24022"	667.242806	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"458478"	982.389906	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"844305"	352.095706	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1567062"	352.095706	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"954945"	360.145294	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"373890"	675.292401	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"360942"	689.308051	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1505516"	374.160951	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"973918"	382.127251	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"125134"	350.116502	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"564450"	507.690052	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1035794"	192.542952	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1255744"	394.065985	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1319775"	396.121972	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1335494"	418.103929	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"926876"	428.132686	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1303991"	464.109364	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1381612"	280.134424	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1397286"	298.1444	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"297699"	631.301476	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"690852"	946.448576	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1365740"	316.154376	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"140091"	316.154376	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"573458"	473.727926	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1044443"	158.580826	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"218178"	211.105342666667	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"657373"	316.154376	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1175863"	106.056309333333	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"433301"	648.328023	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"792110"	963.475123	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1685164"	333.180923	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"330280"	324.6676495	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"724403"	482.2411995	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1480777"	167.0940995	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"396175"	653.283418	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"764827"	968.430518	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1610738"	338.136318	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"321868"	327.145347	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"715384"	484.718897	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1465925"	169.571797	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1059169"	113.383623333333	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1266315"	348.180586	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"384891"	669.257358	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"742607"	984.404458	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1543572"	354.110258	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"306217"	335.132317	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"695358"	492.705867	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1455739"	177.558767	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"241060"	672.328026	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1215954"	357.180926	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1195829"	179.094101	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"194895"	675.26536	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"631173"	990.41246	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1132736"	360.11826	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"175169"	338.136318	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"613761"	495.709868	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1116907"	180.562768	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1398851"	120.710937333333	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1431456"	362.159846	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"228567"	343.16934	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1519910"	376.21189	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"421785"	346.123288	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"772941"	503.696838	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1671457"	188.549738	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"253603"	694.309968	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1231781"	379.162868	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1714106"	379.186393	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1179337"	128.038251333333	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1651538"	384.141788	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"159495"	707.21324	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"600149"	1022.36034	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1086480"	392.06614	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"142328"	354.110258	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"583585"	511.683808	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1074305"	196.536708	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1105327"	394.080692	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1339526"	394.168307	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1009153"	398.207476	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1530559"	399.201108	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"994820"	199.607376	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1590416"	400.115728	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1423731"	430.147238	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1154018"	220.120651	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1704664"	447.173785	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1638128"	452.12918	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1586903"	468.10312	"C08018"	"Oxycodone"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"813989"	301.1314	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M"	0
"987525"	282.11301	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"72487"	199.746990666667	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"516422"	300.124124	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"893132"	99.3698573333333	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"9518"	300.124124	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"454547"	450.689824	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"829069"	149.558424	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"89060"	601.255524	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"524250"	902.386924	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"898771"	300.124124	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"54240"	618.282071	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"498174"	919.413471	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"874885"	317.150671	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"42787"	623.237466	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"481253"	924.368866	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"859054"	322.106066	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1624217"	322.106066	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"101838"	318.112463	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"538117"	468.678163	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"936005"	167.546763	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"273470"	637.232202	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"662974"	938.363602	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1281576"	336.100802	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"24132"	639.211406	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"471282"	940.342806	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"848282"	338.080006	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1570092"	338.080006	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"958316"	346.129594	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"375341"	647.261001	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"360077"	661.276651	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1507089"	360.145251	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"972082"	368.111551	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"123541"	336.100802	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"563465"	486.666502	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1035546"	185.535102	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1255490"	380.050285	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1319028"	382.106272	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1334950"	404.088229	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"926899"	414.116986	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1302833"	450.093664	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1382537"	266.118724	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1398205"	284.1287	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"298177"	603.270076	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"689867"	904.401476	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1365852"	302.138676	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"138013"	302.138676	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"574662"	452.704376	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1047835"	151.572976	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"208081"	201.761542666667	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"646547"	302.138676	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1165768"	101.384409333333	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"426853"	620.296623	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"788210"	921.428023	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1683087"	319.165223	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"340114"	310.6519495	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"737276"	461.2176495	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1491460"	160.0862495	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"399570"	625.252018	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"768708"	926.383418	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1618225"	324.120618	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"327446"	313.129647	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"718776"	463.695347	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1470408"	162.563947	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1061466"	108.711723333333	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1272302"	334.164886	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"392172"	641.225958	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"748185"	942.357358	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1548055"	340.094558	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"304140"	321.116617	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"695468"	471.682317	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1455848"	170.550917	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"246637"	644.296626	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1220437"	343.165226	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1197761"	172.086251	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"201566"	647.23396	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"636753"	948.36536	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1140259"	346.10256	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"175043"	324.120618	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"614482"	474.686318	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1122242"	173.554918	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1401392"	116.039037333333	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1432417"	348.144146	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"229770"	329.15364	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1521842"	362.19619	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"422261"	332.107588	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"775238"	482.673288	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1675941"	181.541888	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"260274"	666.278568	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1234078"	365.147168	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1716403"	365.170693	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1181758"	123.366351333333	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1653837"	370.126088	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"165071"	679.18184	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"603538"	980.31324	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1086592"	378.05044	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"144868"	340.094558	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"583698"	490.660258	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1074415"	189.528858	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1105437"	380.064992	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1340728"	380.152607	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1006466"	384.191776	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1529574"	385.185408	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"992743"	192.599526	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1592711"	386.100028	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1418372"	416.131538	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1151940"	213.112801	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1701492"	433.158085	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1639332"	438.11348	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1573890"	454.08742	"C08019"	"Oxymorphone"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"815925"	376.1998	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M"	0
"987635"	357.18141	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-H2O-H"	-19.01839
"76970"	249.792590666667	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M-3H"	-3.021828
"518432"	375.192524	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M-3H"	-3.021828
"894335"	124.392657333333	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-3H"	-3.021828
"9628"	375.192524	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M-2H"	-2.014552
"450283"	563.292424	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M-2H"	-2.014552
"825898"	187.092624	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-2H"	-2.014552
"82973"	751.392324	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M-H"	-1.007276
"522173"	1127.592124	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M-H"	-1.007276
"899974"	375.192524	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-H"	-1.007276
"51071"	768.418871	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M-2H+NH4"	16.019271
"496099"	1144.618671	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M-2H+NH4"	16.019271
"873902"	392.219071	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-2H+NH4"	16.019271
"41804"	773.374266	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M-2H+Na"	20.974666
"478085"	1149.574066	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M-2H+Na"	20.974666
"854793"	397.174466	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-2H+Na"	20.974666
"1626512"	397.174466	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Na-2H"	20.974666
"101945"	393.180863	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M-H+Cl"	33.962126
"538226"	581.280763	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M-H+Cl"	33.962126
"932835"	205.080963	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-H+Cl"	33.962126
"272481"	787.369002	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+Cl"	34.969402
"662719"	1163.568802	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+Cl"	34.969402
"1274392"	411.169202	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Cl"	34.969402
"16824"	789.348206	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M-2H+K"	36.948606
"470244"	1165.548006	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M-2H+K"	36.948606
"846347"	413.148406	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-2H+K"	36.948606
"1567650"	413.148406	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+K-2H"	36.948606
"956626"	421.197994	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-H+HCOOH"	44.998194
"371195"	797.397801	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+HCOOH-H"	44.998201
"357997"	811.413451	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+Hac-H"	59.013851
"1503911"	435.213651	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Hac-H"	59.013851
"972800"	443.179951	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-H+NaCOOH"	66.980151
"123289"	411.169202	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+2Cl"	69.938804
"564183"	599.269102	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+2Cl"	69.938804
"1035653"	223.069302	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2Cl"	69.938804
"1256323"	455.118685	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Br"	78.918885
"1316218"	457.174672	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Cl+HCOOH"	80.974872
"1332620"	479.156629	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Cl+NaCOOH"	102.956829
"925867"	489.185386	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M-H+CF3COOH"	112.985586
"1303304"	525.162064	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Cl+CF3COOH"	148.962264
"1378546"	341.187124	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H-2H2O"	-35.012676
"1393492"	359.1971	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H-H2O"	-17.0027
"295003"	753.406876	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+H"	1.007276
"687059"	1129.606676	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+H"	1.007276
"1359034"	377.207076	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H"	1.007276
"130830"	377.207076	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+2H"	2.014552
"574404"	565.306976	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+2H"	2.014552
"1043567"	189.107176	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2H"	2.014552
"211471"	251.807142666667	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+3H"	3.021828
"648845"	377.207076	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+3H"	3.021828
"1166972"	126.407209333333	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+3H"	3.021828
"426962"	770.433423	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+NH4"	18.033823
"787956"	1146.633223	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+NH4"	18.033823
"1683561"	394.233623	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+NH4"	18.033823
"343507"	385.7203495	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+H+NH4"	19.041099
"737750"	573.8202495	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+H+NH4"	19.041099
"1489746"	197.6204495	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H+NH4"	19.041099
"406241"	775.388818	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+Na"	22.989218
"765047"	1151.588618	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+Na"	22.989218
"1608772"	399.189018	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Na"	22.989218
"326464"	388.198047	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+H+Na"	23.996494
"711231"	576.297947	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+H+Na"	23.996494
"1466145"	200.098147	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H+Na"	23.996494
"1057203"	133.734523333333	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2H+Na"	25.00377
"1262163"	409.233286	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+CH3OH+H"	33.033486
"381830"	791.362758	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+K"	38.963158
"743919"	1167.562558	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+K"	38.963158
"1550350"	415.162958	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+K"	38.963158
"304250"	396.185017	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+H+K"	39.970434
"698858"	584.284917	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+H+K"	39.970434
"1454865"	208.085117	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H+K"	39.970434
"245654"	794.433426	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+ACN+H"	42.033826
"1219454"	418.233626	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+ACN+H"	42.033826
"1197872"	209.620451	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+ACN+2H"	43.041102
"199489"	797.37076	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+2Na-H"	44.97116
"634676"	1173.57056	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+2Na-H"	44.97116
"1132715"	421.17096	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2Na-H"	44.97116
"174060"	399.189018	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+2Na"	45.978436
"612994"	587.288918	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+2Na"	45.978436
"1117979"	211.089118	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2Na"	45.978436
"1400409"	141.061837333333	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H+2Na"	46.985712
"1433620"	423.212546	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H+HCOOH"	47.012746
"227693"	404.22204	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+3H2O+2H"	56.04448
"1520129"	437.26459	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+IsoProp+H"	61.06479
"423099"	407.175988	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+Na+K"	61.952376
"781908"	595.275888	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+Na+K"	61.952376
"1677144"	219.076088	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Na+K"	61.952376
"259292"	816.415368	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+ACN+Na"	64.015768
"1234189"	440.215568	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+ACN+Na"	64.015768
"1723074"	440.239093	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+NH4+HCOOH"	64.039293
"1182961"	148.389151333333	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+3Na"	68.967654
"1658322"	445.194488	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Na+HCOOH"	68.994688
"167368"	829.31864	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+2K-H"	76.91904
"606928"	1205.51844	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+2K-H"	76.91904
"1087068"	453.11884	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2K-H"	76.91904
"143153"	415.162958	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"2M+2K"	77.926316
"583444"	603.262858	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"3M+2K"	77.926316
"1075618"	227.063058	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2K"	77.926316
"1105547"	455.133392	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2K+H"	78.933592
"1336710"	455.221007	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+DMSO+H"	79.021207
"1009372"	459.260176	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2ACN+H"	83.060376
"1526404"	460.253808	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+IsoProp+Na+H"	84.054008
"995038"	230.133726	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+2ACN+2H"	84.067652
"1588687"	461.168428	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+K+HCOOH"	84.968628
"1417388"	491.199938	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+H+CF3COOH"	115.000138
"1154238"	250.647001	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+3ACN+2H"	125.094202
"1703791"	508.226485	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+NH4+CF3COOH"	132.026685
"1636160"	513.18188	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+Na+CF3COOH"	136.98208
"1577280"	529.15582	"C08021"	"Remifentanil"	"C20H28N2O5"	"376.1998"	"M+K+CF3COOH"	152.95602
"815793"	386.2028	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M"	0
"987381"	367.18441	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-H2O-H"	-19.01839
"75987"	256.461257333333	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M-3H"	-3.021828
"517983"	385.195524	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M-3H"	-3.021828
"892258"	127.726990666667	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-3H"	-3.021828
"9738"	385.195524	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M-2H"	-2.014552
"450393"	578.296924	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M-2H"	-2.014552
"824915"	192.094124	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-2H"	-2.014552
"84905"	771.398324	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M-H"	-1.007276
"527750"	1157.601124	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M-H"	-1.007276
"904458"	385.195524	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-H"	-1.007276
"51181"	788.424871	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M-2H+NH4"	16.019271
"497302"	1174.627671	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M-2H+NH4"	16.019271
"872919"	402.222071	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-2H+NH4"	16.019271
"40821"	793.380266	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M-2H+Na"	20.974666
"478195"	1179.583066	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M-2H+Na"	20.974666
"854903"	407.177466	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-2H+Na"	20.974666
"1626622"	407.177466	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Na-2H"	20.974666
"102055"	403.183863	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M-H+Cl"	33.962126
"538334"	596.285263	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M-H+Cl"	33.962126
"934035"	210.082463	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-H+Cl"	33.962126
"271497"	807.375002	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+Cl"	34.969402
"665015"	1193.577802	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+Cl"	34.969402
"1275231"	421.172202	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Cl"	34.969402
"18878"	809.354206	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M-2H+K"	36.948606
"469018"	1195.557006	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M-2H+K"	36.948606
"845000"	423.151406	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-2H+K"	36.948606
"1568853"	423.151406	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+K-2H"	36.948606
"954913"	431.200994	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-H+HCOOH"	44.998194
"368025"	817.403801	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+HCOOH-H"	44.998201
"358107"	831.419451	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+Hac-H"	59.013851
"1503657"	445.216651	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Hac-H"	59.013851
"973634"	453.182951	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-H+NaCOOH"	66.980151
"123393"	421.172202	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+2Cl"	69.938804
"564051"	614.273602	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+2Cl"	69.938804
"1035035"	228.070802	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2Cl"	69.938804
"1254974"	465.121685	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Br"	78.918885
"1315964"	467.177672	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Cl+HCOOH"	80.974872
"1332366"	489.159629	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Cl+NaCOOH"	102.956829
"924520"	499.188386	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M-H+CF3COOH"	112.985586
"1302685"	535.165064	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Cl+CF3COOH"	148.962264
"1380480"	351.190124	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H-2H2O"	-35.012676
"1393602"	369.2001	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H-H2O"	-17.0027
"293288"	773.412876	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+H"	1.007276
"685709"	1159.615676	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+H"	1.007276
"1353677"	387.210076	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H"	1.007276
"130939"	387.210076	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+2H"	2.014552
"574878"	580.311476	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+2H"	2.014552
"1041490"	194.108676	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2H"	2.014552
"205506"	258.475809333333	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+3H"	3.021828
"645309"	387.210076	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+3H"	3.021828
"1168174"	129.741542666667	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+3H"	3.021828
"425978"	790.439423	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+NH4"	18.033823
"786972"	1176.642223	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+NH4"	18.033823
"1682214"	404.236623	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+NH4"	18.033823
"342524"	395.7233495	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+H+NH4"	19.041099
"737132"	588.8247495	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+H+NH4"	19.041099
"1489856"	202.6219495	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H+NH4"	19.041099
"403071"	795.394818	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+Na"	22.989218
"765157"	1181.597618	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+Na"	22.989218
"1608882"	409.192018	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Na"	22.989218
"323294"	398.201047	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+H+Na"	23.996494
"711341"	591.302447	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+H+Na"	23.996494
"1467348"	205.099647	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H+Na"	23.996494
"1057313"	137.068856666667	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2H+Na"	25.00377
"1263366"	419.236286	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+CH3OH+H"	33.033486
"385220"	811.368758	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+K"	38.963158
"744029"	1197.571558	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+K"	38.963158
"1551553"	425.165958	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+K"	38.963158
"305452"	406.188017	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+H+K"	39.970434
"694958"	599.289417	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+H+K"	39.970434
"1450601"	213.086617	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H+K"	39.970434
"243577"	814.439426	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+ACN+H"	42.033826
"1218471"	428.236626	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+ACN+H"	42.033826
"1194701"	214.621951	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+ACN+2H"	43.041102
"194132"	817.37676	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+2Na-H"	44.97116
"630775"	1203.57956	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+2Na-H"	44.97116
"1132459"	431.17396	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2Na-H"	44.97116
"173559"	409.192018	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+2Na"	45.978436
"613846"	602.293418	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+2Na"	45.978436
"1115895"	216.090618	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2Na"	45.978436
"1398604"	144.396170666667	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H+2Na"	46.985712
"1430122"	433.215546	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H+HCOOH"	47.012746
"224887"	414.22504	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+3H2O+2H"	56.04448
"1520239"	447.26759	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+IsoProp+H"	61.06479
"422116"	417.178988	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+Na+K"	61.952376
"781654"	610.280388	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+Na+K"	61.952376
"1677984"	224.077588	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Na+K"	61.952376
"260495"	836.421368	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+ACN+Na"	64.015768
"1236485"	450.218568	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+ACN+Na"	64.015768
"1723184"	450.242093	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+NH4+HCOOH"	64.039293
"1187445"	151.723484666667	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+3Na"	68.967654
"1656244"	455.197488	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Na+HCOOH"	68.994688
"163105"	849.32464	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+2K-H"	76.91904
"605945"	1235.52744	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+2K-H"	76.91904
"1087540"	463.12184	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2K-H"	76.91904
"143627"	425.165958	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"2M+2K"	77.926316
"582823"	618.267358	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"3M+2K"	77.926316
"1076821"	232.064558	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2K"	77.926316
"1105657"	465.136392	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2K+H"	78.933592
"1338764"	465.224007	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+DMSO+H"	79.021207
"1010575"	469.263176	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2ACN+H"	83.060376
"1527607"	470.256808	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+IsoProp+Na+H"	84.054008
"994055"	235.135226	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+2ACN+2H"	84.067652
"1589649"	471.171428	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+K+HCOOH"	84.968628
"1418591"	501.202938	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+H+CF3COOH"	115.000138
"1155441"	255.648501	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+3ACN+2H"	125.094202
"1704994"	518.229485	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+NH4+CF3COOH"	132.026685
"1636270"	523.18488	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+Na+CF3COOH"	136.98208
"1577390"	539.15882	"C08022"	"Sufentanil"	"C22H30N2O2S"	"386.2028"	"M+K+CF3COOH"	152.95602
"816392"	299.1521	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M"	0
"988587"	280.13371	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-H2O-H"	-19.01839
"77681"	198.427457333333	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M-3H"	-3.021828
"516754"	298.144824	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M-3H"	-3.021828
"889089"	98.7100906666667	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-3H"	-3.021828
"10944"	298.144824	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M-2H"	-2.014552
"449413"	447.720874	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M-2H"	-2.014552
"825027"	148.568774	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-2H"	-2.014552
"87204"	597.296924	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M-H"	-1.007276
"521300"	896.449024	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M-H"	-1.007276
"899102"	298.144824	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-H"	-1.007276
"51292"	614.323471	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M-2H+NH4"	16.019271
"491946"	913.475571	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M-2H+NH4"	16.019271
"870842"	315.171371	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-2H+NH4"	16.019271
"38743"	619.278866	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M-2H+Na"	20.974666
"476118"	918.430966	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M-2H+Na"	20.974666
"855013"	320.126766	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-2H+Na"	20.974666
"1625638"	320.126766	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Na-2H"	20.974666
"97792"	316.133163	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M-H+Cl"	33.962126
"537351"	465.709213	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M-H+Cl"	33.962126
"934146"	166.557113	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-H+Cl"	33.962126
"272704"	633.273602	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+Cl"	34.969402
"665125"	932.425702	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+Cl"	34.969402
"1274369"	334.121502	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Cl"	34.969402
"16273"	635.252806	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M-2H+K"	36.948606
"468037"	934.404906	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M-2H+K"	36.948606
"844015"	336.100706	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-2H+K"	36.948606
"1568235"	336.100706	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+K-2H"	36.948606
"955754"	344.150294	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-H+HCOOH"	44.998194
"372511"	643.302401	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+HCOOH-H"	44.998201
"356029"	657.318051	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+Hac-H"	59.013851
"1506331"	358.165951	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Hac-H"	59.013851
"972412"	366.132251	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-H+NaCOOH"	66.980151
"123140"	334.121502	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+2Cl"	69.938804
"564159"	483.697552	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+2Cl"	69.938804
"1036482"	184.545452	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2Cl"	69.938804
"1254356"	378.070985	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Br"	78.918885
"1316074"	380.126972	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Cl+HCOOH"	80.974872
"1332476"	402.108929	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Cl+NaCOOH"	102.956829
"924993"	412.137686	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M-H+CF3COOH"	112.985586
"1301337"	448.114364	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Cl+CF3COOH"	148.962264
"1380591"	264.139424	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H-2H2O"	-35.012676
"1397238"	282.1494	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H-H2O"	-17.0027
"295951"	599.311476	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+H"	1.007276
"690563"	898.463576	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+H"	1.007276
"1354880"	300.159376	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H"	1.007276
"140530"	300.159376	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+2H"	2.014552
"574988"	449.735426	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+2H"	2.014552
"1043787"	150.583326	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2H"	2.014552
"206948"	200.442009333333	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+3H"	3.021828
"645783"	300.159376	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+3H"	3.021828
"1167189"	100.724642666667	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+3H"	3.021828
"428272"	616.338023	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+NH4"	18.033823
"787080"	915.490123	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+NH4"	18.033823
"1682566"	317.185923	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+NH4"	18.033823
"341542"	308.6726495	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+H+NH4"	19.041099
"733962"	458.2486995	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+H+NH4"	19.041099
"1490696"	159.0965995	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H+NH4"	19.041099
"399901"	621.293418	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+Na"	22.989218
"758709"	920.445518	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+Na"	22.989218
"1614461"	322.141318	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Na"	22.989218
"320124"	311.150347	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+H+Na"	23.996494
"712547"	460.726397	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+H+Na"	23.996494
"1468551"	161.574297	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H+Na"	23.996494
"1060703"	108.051956666667	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2H+Na"	25.00377
"1265663"	332.185586	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+CH3OH+H"	33.033486
"386425"	637.267358	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+K"	38.963158
"745234"	936.419458	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+K"	38.963158
"1550206"	338.115258	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+K"	38.963158
"305560"	319.137317	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+H+K"	39.970434
"694704"	468.713367	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+H+K"	39.970434
"1450711"	169.561267	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H+K"	39.970434
"240408"	640.338026	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+ACN+H"	42.033826
"1212021"	341.185926	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+ACN+H"	42.033826
"1195906"	171.096601	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+ACN+2H"	43.041102
"193149"	643.27536	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+2Na-H"	44.97116
"629428"	942.42746	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+2Na-H"	44.97116
"1135122"	344.12326	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2Na-H"	44.97116
"177319"	322.141318	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+2Na"	45.978436
"613067"	471.717368	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+2Na"	45.978436
"1115928"	172.565268	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2Na"	45.978436
"1398845"	115.379270666667	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H+2Na"	46.985712
"1431651"	346.164846	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H+HCOOH"	47.012746
"224633"	327.17434	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+3H2O+2H"	56.04448
"1519621"	360.21689	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+IsoProp+H"	61.06479
"421134"	330.128288	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+Na+K"	61.952376
"783222"	479.704338	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+Na+K"	61.952376
"1672991"	180.552238	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Na+K"	61.952376
"262428"	662.319968	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+ACN+Na"	64.015768
"1236595"	363.167868	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+ACN+Na"	64.015768
"1717829"	363.191393	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+NH4+HCOOH"	64.039293
"1188649"	122.706584666667	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+3Na"	68.967654
"1656355"	368.146788	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Na+HCOOH"	68.994688
"163216"	675.22324	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+2K-H"	76.91904
"604962"	974.37534	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+2K-H"	76.91904
"1091661"	376.07114	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2K-H"	76.91904
"145196"	338.115258	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"2M+2K"	77.926316
"584757"	487.691308	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"3M+2K"	77.926316
"1072559"	188.539208	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2K"	77.926316
"1105773"	378.085692	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2K+H"	78.933592
"1342157"	378.173307	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+DMSO+H"	79.021207
"1007526"	382.212476	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2ACN+H"	83.060376
"1526623"	383.206108	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+IsoProp+Na+H"	84.054008
"991246"	191.609876	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+2ACN+2H"	84.067652
"1588421"	384.120728	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+K+HCOOH"	84.968628
"1417609"	414.152238	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+H+CF3COOH"	115.000138
"1148992"	212.123151	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+3ACN+2H"	125.094202
"1700731"	431.178785	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+NH4+CF3COOH"	132.026685
"1637476"	436.13418	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+Na+CF3COOH"	136.98208
"1577501"	452.10812	"C08024"	"Hydrocodone;Dihydrocodeinone"	"C18H21NO3"	"299.1521"	"M+K+CF3COOH"	152.95602
"816497"	351.1237	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M"	0
"988819"	332.10531	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-H2O-H"	-19.01839
"77184"	233.075190666667	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M-3H"	-3.021828
"518044"	350.116424	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M-3H"	-3.021828
"890291"	116.033957333333	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-3H"	-3.021828
"9961"	350.116424	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M-2H"	-2.014552
"447336"	525.678274	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M-2H"	-2.014552
"824044"	174.554574	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-2H"	-2.014552
"87314"	701.240124	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M-H"	-1.007276
"521408"	1052.363824	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M-H"	-1.007276
"896290"	350.116424	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-H"	-1.007276
"48483"	718.266671	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M-2H+NH4"	16.019271
"489869"	1069.390371	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M-2H+NH4"	16.019271
"868764"	367.142971	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-2H+NH4"	16.019271
"38851"	723.222066	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M-2H+Na"	20.974666
"478414"	1074.345766	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M-2H+Na"	20.974666
"851842"	372.098366	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-2H+Na"	20.974666
"1623561"	372.098366	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Na-2H"	20.974666
"101182"	368.104763	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M-H+Cl"	33.962126
"537460"	543.666613	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M-H+Cl"	33.962126
"933164"	192.542913	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-H+Cl"	33.962126
"277188"	737.216802	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+Cl"	34.969402
"667421"	1088.340502	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+Cl"	34.969402
"1274235"	386.093102	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Cl"	34.969402
"18126"	739.196006	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M-2H+K"	36.948606
"469237"	1090.319706	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M-2H+K"	36.948606
"844125"	388.072306	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-2H+K"	36.948606
"1566519"	388.072306	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+K-2H"	36.948606
"954772"	396.121894	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-H+HCOOH"	44.998194
"371526"	747.245601	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+HCOOH-H"	44.998201
"354316"	761.261251	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+Hac-H"	59.013851
"1507774"	410.137551	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Hac-H"	59.013851
"973981"	418.103851	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-H+NaCOOH"	66.980151
"125316"	386.093102	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+2Cl"	69.938804
"565526"	561.654952	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+2Cl"	69.938804
"1037001"	210.531252	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2Cl"	69.938804
"1255194"	430.042585	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Br"	78.918885
"1314361"	432.098572	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Cl+HCOOH"	80.974872
"1326753"	454.080529	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Cl+NaCOOH"	102.956829
"919636"	464.109286	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M-H+CF3COOH"	112.985586
"1296344"	500.085964	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Cl+CF3COOH"	148.962264
"1382162"	316.111024	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H-2H2O"	-35.012676
"1397469"	334.121	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H-H2O"	-17.0027
"297520"	703.254676	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+H"	1.007276
"691164"	1054.378376	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+H"	1.007276
"1360457"	352.130976	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H"	1.007276
"137724"	352.130976	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+2H"	2.014552
"575098"	527.692826	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+2H"	2.014552
"1041710"	176.569126	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2H"	2.014552
"206330"	235.089742666667	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+3H"	3.021828
"646257"	352.130976	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+3H"	3.021828
"1167299"	118.048509333333	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+3H"	3.021828
"428383"	720.281223	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+NH4"	18.033823
"790473"	1071.404923	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+NH4"	18.033823
"1683526"	369.157523	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+NH4"	18.033823
"343474"	360.6442495	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+H+NH4"	19.041099
"732978"	536.2060995	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+H+NH4"	19.041099
"1489712"	185.0823995	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H+NH4"	19.041099
"403291"	725.236618	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+Na"	22.989218
"762099"	1076.360318	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+Na"	22.989218
"1614571"	374.112918	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Na"	22.989218
"322420"	363.121947	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+H+Na"	23.996494
"712657"	538.683797	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+H+Na"	23.996494
"1469755"	187.560097	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H+Na"	23.996494
"1060814"	125.375823333333	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2H+Na"	25.00377
"1271971"	384.157186	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+CH3OH+H"	33.033486
"386536"	741.210558	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+K"	38.963158
"749720"	1092.334258	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+K"	38.963158
"1552868"	390.086858	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+K"	38.963158
"308951"	371.108917	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+H+K"	39.970434
"701374"	546.670767	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+H+K"	39.970434
"1449727"	195.547067	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H+K"	39.970434
"241611"	744.281226	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+ACN+H"	42.033826
"1214318"	393.157526	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+ACN+H"	42.033826
"1196015"	197.082401	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+ACN+2H"	43.041102
"195446"	747.21856	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+2Na-H"	44.97116
"635007"	1098.34226	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+2Na-H"	44.97116
"1132554"	396.09486	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2Na-H"	44.97116
"174145"	374.112918	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+2Na"	45.978436
"613829"	549.674768	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+2Na"	45.978436
"1117457"	198.551068	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2Na"	45.978436
"1398954"	132.703137333333	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H+2Na"	46.985712
"1431033"	398.136446	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H+HCOOH"	47.012746
"225107"	379.14594	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+3H2O+2H"	56.04448
"1518638"	412.18849	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+IsoProp+H"	61.06479
"422337"	382.099888	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+Na+K"	61.952376
"785237"	557.661738	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+Na+K"	61.952376
"1669823"	206.538038	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Na+K"	61.952376
"265090"	766.263168	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+ACN+Na"	64.015768
"1236705"	415.139468	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+ACN+Na"	64.015768
"1717939"	415.162993	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+NH4+HCOOH"	64.039293
"1188759"	140.030451333333	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+3Na"	68.967654
"1657558"	420.118388	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Na+HCOOH"	68.994688
"164420"	779.16644	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+2K-H"	76.91904
"603979"	1130.29014	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+2K-H"	76.91904
"1092865"	428.04274	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2K-H"	76.91904
"145306"	390.086858	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"2M+2K"	77.926316
"587054"	565.648708	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"3M+2K"	77.926316
"1071572"	214.525008	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2K"	77.926316
"1102598"	430.057292	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2K+H"	78.933592
"1338986"	430.144907	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+DMSO+H"	79.021207
"1006418"	434.184076	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2ACN+H"	83.060376
"1525882"	435.177708	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+IsoProp+Na+H"	84.054008
"992086"	217.595676	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+2ACN+2H"	84.067652
"1588167"	436.092328	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+K+HCOOH"	84.968628
"1415653"	466.123838	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+H+CF3COOH"	115.000138
"1151287"	238.108951	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+3ACN+2H"	125.094202
"1700841"	483.150385	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+NH4+CF3COOH"	132.026685
"1639773"	488.10578	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+Na+CF3COOH"	136.98208
"1577611"	504.07972	"C08026"	"Oxycodone hydrochloride"	"C18H21NO4HCl"	"351.1237"	"M+K+CF3COOH"	152.95602
"816688"	339.1834	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M"	0
"988077"	320.16501	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-H2O-H"	-19.01839
"76322"	225.114990666667	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M-3H"	-3.021828
"516973"	338.176124	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M-3H"	-3.021828
"889308"	112.053857333333	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-3H"	-3.021828
"6791"	338.176124	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M-2H"	-2.014552
"449633"	507.767824	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M-2H"	-2.014552
"824154"	168.584424	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-2H"	-2.014552
"87424"	677.359524	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M-H"	-1.007276
"521518"	1016.542924	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M-H"	-1.007276
"899321"	338.176124	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-H"	-1.007276
"51510"	694.386071	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M-2H+NH4"	16.019271
"492166"	1033.569471	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M-2H+NH4"	16.019271
"873247"	355.202671	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-2H+NH4"	16.019271
"44793"	699.341466	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M-2H+Na"	20.974666
"475244"	1038.524866	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M-2H+Na"	20.974666
"851952"	360.158066	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-2H+Na"	20.974666
"1626951"	360.158066	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Na-2H"	20.974666
"101292"	356.164463	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M-H+Cl"	33.962126
"537571"	525.756163	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M-H+Cl"	33.962126
"934367"	186.572763	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-H+Cl"	33.962126
"277298"	713.336202	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+Cl"	34.969402
"666438"	1052.519602	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+Cl"	34.969402
"1275561"	374.152802	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Cl"	34.969402
"18358"	715.315406	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M-2H+K"	36.948606
"470076"	1054.498806	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M-2H+K"	36.948606
"844235"	376.132006	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-2H+K"	36.948606
"1564442"	376.132006	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+K-2H"	36.948606
"952328"	384.181594	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-H+HCOOH"	44.998194
"369449"	723.365001	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+HCOOH-H"	44.998201
"354426"	737.380651	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+Hac-H"	59.013851
"1507641"	398.197251	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Hac-H"	59.013851
"973480"	406.163551	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-H+NaCOOH"	66.980151
"125183"	374.152802	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+2Cl"	69.938804
"562552"	543.744502	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+2Cl"	69.938804
"1034995"	204.561102	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2Cl"	69.938804
"1249835"	418.102285	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Br"	78.918885
"1311191"	420.158272	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Cl+HCOOH"	80.974872
"1323583"	442.140229	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Cl+NaCOOH"	102.956829
"916465"	452.168986	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M-H+CF3COOH"	112.985586
"1293172"	488.145664	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Cl+CF3COOH"	148.962264
"1375707"	304.170724	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H-2H2O"	-35.012676
"1393204"	322.1807	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H-H2O"	-17.0027
"294713"	679.374076	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+H"	1.007276
"686405"	1018.557476	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+H"	1.007276
"1355101"	340.190676	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H"	1.007276
"126898"	340.190676	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+2H"	2.014552
"569740"	509.782376	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+2H"	2.014552
"1040725"	170.598976	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2H"	2.014552
"204412"	227.129542666667	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+3H"	3.021828
"644907"	340.190676	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+3H"	3.021828
"1166313"	114.068409333333	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+3H"	3.021828
"425575"	696.400623	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+NH4"	18.033823
"789490"	1035.584023	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+NH4"	18.033823
"1683272"	357.217223	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+NH4"	18.033823
"338483"	348.7039495	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+H+NH4"	19.041099
"734181"	518.2956495	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+H+NH4"	19.041099
"1490186"	179.1122495	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H+NH4"	19.041099
"403401"	701.356018	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+Na"	22.989218
"759293"	1040.539418	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+Na"	22.989218
"1609578"	362.172618	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Na"	22.989218
"321438"	351.181647	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+H+Na"	23.996494
"712765"	520.773347	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+H+Na"	23.996494
"1468772"	181.589947	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H+Na"	23.996494
"1062018"	121.395723333333	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2H+Na"	25.00377
"1269164"	372.216886	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+CH3OH+H"	33.033486
"386646"	717.329958	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+K"	38.963158
"747642"	1056.513358	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+K"	38.963158
"1552977"	378.146558	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+K"	38.963158
"306874"	359.168617	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+H+K"	39.970434
"703669"	528.760317	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+H+K"	39.970434
"1455301"	189.576917	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H+K"	39.970434
"241720"	720.400626	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+ACN+H"	42.033826
"1212242"	381.217226	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+ACN+H"	42.033826
"1194297"	191.112251	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+ACN+2H"	43.041102
"197743"	723.33796	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+2Na-H"	44.97116
"631837"	1062.52136	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+2Na-H"	44.97116
"1132420"	384.15456	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2Na-H"	44.97116
"173158"	362.172618	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+2Na"	45.978436
"612833"	531.764318	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+2Na"	45.978436
"1116229"	192.580918	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2Na"	45.978436
"1399022"	128.723037333333	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H+2Na"	46.985712
"1431507"	386.196146	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H+HCOOH"	47.012746
"224853"	367.20564	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+3H2O+2H"	56.04448
"1519476"	400.24819	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+IsoProp+H"	61.06479
"423419"	370.159588	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+Na+K"	61.952376
"785186"	539.751288	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+Na+K"	61.952376
"1669567"	200.567888	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Na+K"	61.952376
"263014"	742.382568	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+ACN+Na"	64.015768
"1236815"	403.199168	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+ACN+Na"	64.015768
"1717319"	403.222693	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+NH4+HCOOH"	64.039293
"1186682"	136.050351333333	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+3Na"	68.967654
"1656575"	408.178088	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Na+HCOOH"	68.994688
"164530"	755.28584	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+2K-H"	76.91904
"604089"	1094.46924	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+2K-H"	76.91904
"1092975"	416.10244	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2K-H"	76.91904
"144321"	378.146558	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"2M+2K"	77.926316
"590445"	547.738258	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"3M+2K"	77.926316
"1072775"	208.554858	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2K"	77.926316
"1103801"	418.116992	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2K+H"	78.933592
"1340189"	418.204607	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+DMSO+H"	79.021207
"1007258"	422.243776	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2ACN+H"	83.060376
"1525020"	423.237408	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+IsoProp+Na+H"	84.054008
"991103"	211.625526	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+2ACN+2H"	84.067652
"1589249"	424.152028	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+K+HCOOH"	84.968628
"1415763"	454.183538	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+H+CF3COOH"	115.000138
"1151397"	232.138801	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+3ACN+2H"	125.094202
"1699857"	471.210085	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+NH4+CF3COOH"	132.026685
"1639883"	476.16548	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+Na+CF3COOH"	136.98208
"1577721"	492.13942	"C08027"	"Nalmefene"	"C21H25NO3"	"339.1834"	"M+K+CF3COOH"	152.95602
"816318"	478.1143	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M"	0
"987094"	459.09591	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-H2O-H"	-19.01839
"77891"	317.735590666667	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M-3H"	-3.021828
"511618"	477.107024	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M-3H"	-3.021828
"891605"	158.364157333333	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-3H"	-3.021828
"5807"	477.107024	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M-2H"	-2.014552
"450834"	716.164174	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M-2H"	-2.014552
"818796"	238.049874	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-2H"	-2.014552
"85349"	955.221324	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M-H"	-1.007276
"521992"	1433.335624	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M-H"	-1.007276
"895681"	477.107024	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-H"	-1.007276
"49433"	972.247871	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M-2H+NH4"	16.019271
"496650"	1450.362171	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M-2H+NH4"	16.019271
"876638"	494.133571	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-2H+NH4"	16.019271
"45269"	977.203266	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M-2H+Na"	20.974666
"472558"	1455.317566	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M-2H+Na"	20.974666
"849631"	499.088966	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-2H+Na"	20.974666
"1621594"	499.088966	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Na-2H"	20.974666
"98123"	495.095363	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M-H+Cl"	33.962126
"538775"	734.152513	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M-H+Cl"	33.962126
"932291"	256.038213	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-H+Cl"	33.962126
"271941"	991.198002	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+Cl"	34.969402
"665456"	1469.312302	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+Cl"	34.969402
"1274334"	513.083702	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Cl"	34.969402
"25884"	993.177206	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M-2H+K"	36.948606
"465445"	1471.291506	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M-2H+K"	36.948606
"842156"	515.062906	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-2H+K"	36.948606
"1566739"	515.062906	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+K-2H"	36.948606
"955720"	523.112494	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-H+HCOOH"	44.998194
"371747"	1001.226801	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+HCOOH-H"	44.998201
"351256"	1015.242451	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+Hac-H"	59.013851
"1507512"	537.128151	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Hac-H"	59.013851
"973472"	545.094451	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-H+NaCOOH"	66.980151
"124440"	513.083702	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+2Cl"	69.938804
"560476"	752.140852	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+2Cl"	69.938804
"1031097"	274.026552	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2Cl"	69.938804
"1247758"	557.033185	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Br"	78.918885
"1310207"	559.089172	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Cl+HCOOH"	80.974872
"1326610"	581.071129	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Cl+NaCOOH"	102.956829
"916574"	591.099886	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M-H+CF3COOH"	112.985586
"1293283"	627.076564	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Cl+CF3COOH"	148.962264
"1375817"	443.101624	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H-2H2O"	-35.012676
"1386025"	461.1116	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H-H2O"	-17.0027
"289721"	957.235876	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+H"	1.007276
"681048"	1435.350176	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+H"	1.007276
"1356305"	479.121576	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H"	1.007276
"131745"	479.121576	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+2H"	2.014552
"569850"	718.178726	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+2H"	2.014552
"1039741"	240.064426	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2H"	2.014552
"205697"	319.750142666667	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+3H"	3.021828
"644316"	479.121576	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+3H"	3.021828
"1162884"	160.378709333333	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+3H"	3.021828
"424362"	974.262423	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+NH4"	18.033823
"785721"	1452.376723	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+NH4"	18.033823
"1686300"	496.148123	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+NH4"	18.033823
"341508"	487.6348495	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+H+NH4"	19.041099
"735021"	726.6919995	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+H+NH4"	19.041099
"1484101"	248.5776995	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H+NH4"	19.041099
"403515"	979.217818	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+Na"	22.989218
"761227"	1457.332118	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+Na"	22.989218
"1608232"	501.103518	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Na"	22.989218
"320456"	490.112547	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+H+Na"	23.996494
"713971"	729.169697	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+H+Na"	23.996494
"1465967"	251.055397	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H+Na"	23.996494
"1058847"	167.706023333333	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2H+Na"	25.00377
"1265996"	511.147786	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+CH3OH+H"	33.033486
"387850"	995.191758	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+K"	38.963158
"751034"	1473.306058	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+K"	38.963158
"1551994"	517.077458	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+K"	38.963158
"306985"	498.099517	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+H+K"	39.970434
"700500"	737.156667	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+H+K"	39.970434
"1454324"	259.042367	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H+K"	39.970434
"236727"	998.262426	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+ACN+H"	42.033826
"1210197"	520.148126	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+ACN+H"	42.033826
"1194484"	260.577701	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+ACN+2H"	43.041102
"189465"	1001.19976	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+2Na-H"	44.97116
"631947"	1479.31406	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+2Na-H"	44.97116
"1132003"	523.08546	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2Na-H"	44.97116
"173144"	501.103518	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+2Na"	45.978436
"613234"	740.160668	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+2Na"	45.978436
"1115806"	262.046368	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2Na"	45.978436
"1400597"	175.033337333333	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H+2Na"	46.985712
"1435265"	525.127046	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H+HCOOH"	47.012746
"225327"	506.13654	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+3H2O+2H"	56.04448
"1516306"	539.17909	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+IsoProp+H"	61.06479
"423529"	509.090488	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+Na+K"	61.952376
"785376"	748.147638	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+Na+K"	61.952376
"1675508"	270.033338	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Na+K"	61.952376
"258748"	1020.244368	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+ACN+Na"	64.015768
"1235831"	542.130068	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+ACN+Na"	64.015768
"1715243"	542.153593	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+NH4+HCOOH"	64.039293
"1181326"	182.360651333333	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+3Na"	68.967654
"1658872"	547.108988	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Na+HCOOH"	68.994688
"164640"	1033.14764	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+2K-H"	76.91904
"598123"	1511.26194	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+2K-H"	76.91904
"1088712"	555.03334	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2K-H"	76.91904
"143340"	517.077458	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"2M+2K"	77.926316
"583633"	756.134608	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"3M+2K"	77.926316
"1072889"	278.020308	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2K"	77.926316
"1103911"	557.047892	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2K+H"	78.933592
"1342486"	557.135507	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+DMSO+H"	79.021207
"1008829"	561.174676	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2ACN+H"	83.060376
"1526102"	562.168308	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+IsoProp+Na+H"	84.054008
"995587"	281.090976	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+2ACN+2H"	84.067652
"1589118"	563.082928	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+K+HCOOH"	84.968628
"1415629"	593.114438	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+H+CF3COOH"	115.000138
"1150049"	301.604251	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+3ACN+2H"	125.094202
"1700331"	610.140985	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+NH4+CF3COOH"	132.026685
"1638898"	615.09638	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+Na+CF3COOH"	136.98208
"1577831"	631.07032	"C08029"	"Methacycline hydrochloride"	"C22H22N2O8HCl"	"478.1143"	"M+K+CF3COOH"	152.95602
"816348"	1055.6426	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M"	0
"989270"	1036.62421	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-H2O-H"	-19.01839
"77512"	702.754457333333	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M-3H"	-3.021828
"508449"	1054.635324	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M-3H"	-3.021828
"891715"	350.873590666667	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-3H"	-3.021828
"7010"	1054.635324	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M-2H"	-2.014552
"450944"	1582.456624	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M-2H"	-2.014552
"824374"	526.814024	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-2H"	-2.014552
"84367"	2110.277924	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M-H"	-1.007276
"525019"	3165.920524	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M-H"	-1.007276
"896500"	1054.635324	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-H"	-1.007276
"53917"	2127.304471	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M-2H+NH4"	16.019271
"496760"	3182.947071	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M-2H+NH4"	16.019271
"873469"	1071.661871	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-2H+NH4"	16.019271
"44652"	2132.259866	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M-2H+Na"	20.974666
"477651"	3187.902466	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M-2H+Na"	20.974666
"850714"	1076.617266	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-2H+Na"	20.974666
"1621706"	1076.617266	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Na-2H"	20.974666
"96410"	1072.623663	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M-H+Cl"	33.962126
"541074"	1600.444963	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M-H+Cl"	33.962126
"936776"	544.802363	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-H+Cl"	33.962126
"275333"	2146.254602	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+Cl"	34.969402
"667755"	3201.897202	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+Cl"	34.969402
"1276876"	1090.612002	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Cl"	34.969402
"21620"	2148.233806	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M-2H+K"	36.948606
"462275"	3203.876406	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M-2H+K"	36.948606
"842268"	1092.591206	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-2H+K"	36.948606
"1566852"	1092.591206	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+K-2H"	36.948606
"956194"	1100.640794	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-H+HCOOH"	44.998194
"374412"	2156.283401	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+HCOOH-H"	44.998201
"359024"	2170.299051	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+Hac-H"	59.013851
"1508027"	1114.656451	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Hac-H"	59.013851
"973455"	1122.622751	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-H+NaCOOH"	66.980151
"124673"	1090.612002	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+2Cl"	69.938804
"557305"	1618.433302	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+2Cl"	69.938804
"1031571"	562.790702	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2Cl"	69.938804
"1250054"	1134.561485	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Br"	78.918885
"1309224"	1136.617472	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Cl+HCOOH"	80.974872
"1328908"	1158.599429	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Cl+NaCOOH"	102.956829
"914498"	1168.628186	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M-H+CF3COOH"	112.985586
"1292300"	1204.604864	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Cl+CF3COOH"	148.962264
"1370824"	1020.629924	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H-2H2O"	-35.012676
"1386864"	1038.6399	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H-H2O"	-17.0027
"287645"	2112.292476	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+H"	1.007276
"681158"	3167.935076	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+H"	1.007276
"1356417"	1056.649876	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H"	1.007276
"128212"	1056.649876	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+2H"	2.014552
"568868"	1584.471176	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+2H"	2.014552
"1038031"	528.828576	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2H"	2.014552
"204381"	704.769009333333	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+3H"	3.021828
"644798"	1056.649876	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+3H"	3.021828
"1162959"	352.888142666667	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+3H"	3.021828
"424489"	2129.319023	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+NH4"	18.033823
"785678"	3184.961623	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+NH4"	18.033823
"1686410"	1073.676423	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+NH4"	18.033823
"339796"	1065.1631495	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+H+NH4"	19.041099
"729298"	1592.9844495	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+H+NH4"	19.041099
"1483117"	537.3418495	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H+NH4"	19.041099
"402530"	2134.274418	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+Na"	22.989218
"761337"	3189.917018	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+Na"	22.989218
"1608342"	1078.631818	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Na"	22.989218
"319473"	1067.640847	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+H+Na"	23.996494
"714081"	1595.462147	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+H+Na"	23.996494
"1465348"	539.819547	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H+Na"	23.996494
"1061144"	360.215456666667	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2H+Na"	25.00377
"1265013"	1088.676086	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+CH3OH+H"	33.033486
"385774"	2150.248358	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+K"	38.963158
"746769"	3205.890958	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+K"	38.963158
"1552833"	1094.605758	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+K"	38.963158
"303816"	1075.627817	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+H+K"	39.970434
"699517"	1603.449117	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+H+K"	39.970434
"1452246"	547.806517	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H+K"	39.970434
"237568"	2153.319026	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+ACN+H"	42.033826
"1211488"	1097.676426	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+ACN+H"	42.033826
"1194640"	549.341851	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+ACN+2H"	43.041102
"188624"	2156.25636	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+2Na-H"	44.97116
"628726"	3211.89896	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+2Na-H"	44.97116
"1131344"	1100.61376	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2Na-H"	44.97116
"172948"	1078.631818	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+2Na"	45.978436
"612924"	1606.453118	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+2Na"	45.978436
"1115665"	550.810518	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2Na"	45.978436
"1403623"	367.542770666667	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H+2Na"	46.985712
"1432824"	1102.655346	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H+HCOOH"	47.012746
"223978"	1083.66484	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+3H2O+2H"	56.04448
"1516416"	1116.70739	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+IsoProp+H"	61.06479
"422670"	1086.618788	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+Na+K"	61.952376
"784755"	1614.440088	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+Na+K"	61.952376
"1675619"	558.797488	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Na+K"	61.952376
"262139"	2175.300968	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+ACN+Na"	64.015768
"1234849"	1119.658368	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+ACN+Na"	64.015768
"1722643"	1119.681893	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+NH4+HCOOH"	64.039293
"1179736"	374.870084666667	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+3Na"	68.967654
"1649988"	1124.637288	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Na+HCOOH"	68.994688
"157825"	2188.20424	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+2K-H"	76.91904
"599936"	3243.84684	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+2K-H"	76.91904
"1085909"	1132.56164	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2K-H"	76.91904
"142479"	1094.605758	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"2M+2K"	77.926316
"582285"	1622.427058	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"3M+2K"	77.926316
"1071906"	566.784458	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2K"	77.926316
"1107303"	1134.576192	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2K+H"	78.933592
"1342597"	1134.663807	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+DMSO+H"	79.021207
"1008939"	1138.702976	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2ACN+H"	83.060376
"1524632"	1139.696608	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+IsoProp+Na+H"	84.054008
"994604"	569.855126	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+2ACN+2H"	84.067652
"1589108"	1140.611228	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+K+HCOOH"	84.968628
"1418049"	1170.642738	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+H+CF3COOH"	115.000138
"1154899"	590.368401	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+3ACN+2H"	125.094202
"1702266"	1187.669285	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+NH4+CF3COOH"	132.026685
"1643384"	1192.62468	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+Na+CF3COOH"	136.98208
"1577941"	1208.59862	"C08031"	"Erythromycin estolate;Erythromycin estorate"	"C40H71NO14C12H26O4S"	"1055.6426"	"M+K+CF3COOH"	152.95602
"815603"	1021.4732	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M"	0
"989501"	1002.45481	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-H2O-H"	-19.01839
"77622"	679.974857333333	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M-3H"	-3.021828
"508558"	1020.465924	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M-3H"	-3.021828
"889638"	339.483790666667	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-3H"	-3.021828
"3840"	1020.465924	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M-2H"	-2.014552
"447774"	1531.202524	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M-2H"	-2.014552
"817311"	509.729324	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-2H"	-2.014552
"80222"	2041.939124	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M-H"	-1.007276
"522577"	3063.412324	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M-H"	-1.007276
"895998"	1020.465924	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-H"	-1.007276
"51839"	2058.965671	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M-2H+NH4"	16.019271
"493588"	3080.438871	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M-2H+NH4"	16.019271
"874672"	1037.492471	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-2H+NH4"	16.019271
"41481"	2063.921066	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M-2H+Na"	20.974666
"482132"	3085.394266	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M-2H+Na"	20.974666
"850460"	1042.447866	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-2H+Na"	20.974666
"1622180"	1042.447866	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Na-2H"	20.974666
"102716"	1038.454263	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M-H+Cl"	33.962126
"543370"	1549.190863	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M-H+Cl"	33.962126
"936886"	527.717663	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-H+Cl"	33.962126
"274350"	2077.915802	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+Cl"	34.969402
"669323"	3099.389002	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+Cl"	34.969402
"1279172"	1056.442602	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Cl"	34.969402
"21730"	2079.895006	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M-2H+K"	36.948606
"462385"	3101.368206	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M-2H+K"	36.948606
"843471"	1058.421806	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-2H+K"	36.948606
"1565868"	1058.421806	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+K-2H"	36.948606
"948284"	1066.471394	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-H+HCOOH"	44.998194
"371971"	2087.944601	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+HCOOH-H"	44.998201
"354759"	2101.960251	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+Hac-H"	59.013851
"1504687"	1080.487051	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Hac-H"	59.013851
"968219"	1088.453351	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-H+NaCOOH"	66.980151
"121866"	1056.442602	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+2Cl"	69.938804
"557415"	1567.179202	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+2Cl"	69.938804
"1029495"	545.706002	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2Cl"	69.938804
"1246884"	1100.392085	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Br"	78.918885
"1312614"	1102.448072	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Cl+HCOOH"	80.974872
"1325738"	1124.430029	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Cl+NaCOOH"	102.956829
"912422"	1134.458786	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M-H+CF3COOH"	112.985586
"1291315"	1170.435464	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Cl+CF3COOH"	148.962264
"1370568"	986.460524	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H-2H2O"	-35.012676
"1384422"	1004.4705	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H-H2O"	-17.0027
"285568"	2043.953676	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+H"	1.007276
"683456"	3065.426876	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+H"	1.007276
"1353247"	1022.480476	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H"	1.007276
"129415"	1022.480476	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+2H"	2.014552
"571164"	1533.217076	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+2H"	2.014552
"1042149"	511.743876	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2H"	2.014552
"206160"	681.989409333333	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+3H"	3.021828
"644505"	1022.480476	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+3H"	3.021828
"1163116"	341.498342666667	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+3H"	3.021828
"424443"	2060.980223	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+NH4"	18.033823
"786534"	3082.453423	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+NH4"	18.033823
"1690529"	1039.507023	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+NH4"	18.033823
"338813"	1030.9937495	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+H+NH4"	19.041099
"733417"	1541.7303495	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+H+NH4"	19.041099
"1486143"	520.2571495	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H+NH4"	19.041099
"401546"	2065.935618	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+Na"	22.989218
"759260"	3087.408818	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+Na"	22.989218
"1606628"	1044.462418	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Na"	22.989218
"319583"	1033.471447	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+H+Na"	23.996494
"716378"	1544.208047	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+H+Na"	23.996494
"1469104"	522.734847	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H+Na"	23.996494
"1062348"	348.825656666667	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2H+Na"	25.00377
"1265123"	1054.506686	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+CH3OH+H"	33.033486
"385884"	2081.909558	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+K"	38.963158
"746879"	3103.382758	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+K"	38.963158
"1550028"	1060.436358	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+K"	38.963158
"306112"	1041.458417	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+H+K"	39.970434
"700721"	1552.195017	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+H+K"	39.970434
"1452356"	530.721817	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H+K"	39.970434
"240958"	2084.980226	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+ACN+H"	42.033826
"1210748"	1063.507026	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+ACN+H"	42.033826
"1194673"	532.257151	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+ACN+2H"	43.041102
"188876"	2087.91756	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+2Na-H"	44.97116
"628721"	3109.39076	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+2Na-H"	44.97116
"1131363"	1066.44436	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2Na-H"	44.97116
"172860"	1044.462418	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+2Na"	45.978436
"612813"	1555.199018	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+2Na"	45.978436
"1115698"	533.725818	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2Na"	45.978436
"1400817"	356.152970666667	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H+2Na"	46.985712
"1432934"	1068.485946	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H+HCOOH"	47.012746
"226276"	1049.49544	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+3H2O+2H"	56.04448
"1516526"	1082.53799	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+IsoProp+H"	61.06479
"423632"	1052.449388	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+Na+K"	61.952376
"784989"	1563.185988	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+Na+K"	61.952376
"1677916"	541.712788	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Na+K"	61.952376
"266507"	2106.962168	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+ACN+Na"	64.015768
"1238239"	1085.488968	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+ACN+Na"	64.015768
"1726033"	1085.512493	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+NH4+HCOOH"	64.039293
"1181912"	363.480284666667	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+3Na"	68.967654
"1654719"	1090.467888	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Na+HCOOH"	68.994688
"159393"	2119.86544	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+2K-H"	76.91904
"600044"	3141.33864	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+2K-H"	76.91904
"1086379"	1098.39224	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2K-H"	76.91904
"142833"	1060.436358	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"2M+2K"	77.926316
"581910"	1571.172958	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"3M+2K"	77.926316
"1069097"	549.699758	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2K"	77.926316
"1105226"	1100.406792	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2K+H"	78.933592
"1335897"	1100.494407	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+DMSO+H"	79.021207
"1009049"	1104.533576	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2ACN+H"	83.060376
"1524986"	1105.527208	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+IsoProp+Na+H"	84.054008
"991433"	552.770426	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+2ACN+2H"	84.067652
"1587395"	1106.441828	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+K+HCOOH"	84.968628
"1415607"	1136.473338	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+H+CF3COOH"	115.000138
"1151729"	573.283701	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+3ACN+2H"	125.094202
"1700189"	1153.499885	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+NH4+CF3COOH"	132.026685
"1643494"	1158.45528	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+Na+CF3COOH"	136.98208
"1578051"	1174.42922	"C08032"	"Quinupristin"	"C53H67N9O10S"	"1021.4732"	"M+K+CF3COOH"	152.95602
"816930"	690.3299	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M"	0
"989810"	671.31151	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-H2O-H"	-19.01839
"78473"	459.212657333333	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M-3H"	-3.021828
"517416"	689.322624	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M-3H"	-3.021828
"889748"	229.102690666667	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-3H"	-3.021828
"12699"	689.322624	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M-2H"	-2.014552
"453352"	1034.487574	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M-2H"	-2.014552
"822408"	344.157674	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-2H"	-2.014552
"87868"	1379.652524	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M-H"	-1.007276
"525240"	2069.982424	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M-H"	-1.007276
"899762"	689.322624	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-H"	-1.007276
"56322"	1396.679071	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M-2H+NH4"	16.019271
"496977"	2087.008971	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M-2H+NH4"	16.019271
"875510"	706.349171	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-2H+NH4"	16.019271
"43413"	1401.634466	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M-2H+Na"	20.974666
"478962"	2091.964366	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M-2H+Na"	20.974666
"852393"	711.304566	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-2H+Na"	20.974666
"1620833"	711.304566	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Na-2H"	20.974666
"100640"	707.310963	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M-H+Cl"	33.962126
"541295"	1052.475913	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M-H+Cl"	33.962126
"932624"	362.146013	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-H+Cl"	33.962126
"273368"	1415.629202	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+Cl"	34.969402
"666881"	2105.959102	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+Cl"	34.969402
"1277096"	725.299302	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Cl"	34.969402
"20747"	1417.608406	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M-2H+K"	36.948606
"461401"	2107.938306	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M-2H+K"	36.948606
"843581"	727.278506	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-2H+K"	36.948606
"1567801"	727.278506	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+K-2H"	36.948606
"951675"	735.328094	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-H+HCOOH"	44.998194
"374997"	1425.658001	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+HCOOH-H"	44.998201
"357785"	1439.673651	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+Hac-H"	59.013851
"1506256"	749.343751	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Hac-H"	59.013851
"969424"	757.310051	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-H+NaCOOH"	66.980151
"114686"	725.299302	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+2Cl"	69.938804
"555337"	1070.464252	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+2Cl"	69.938804
"1027417"	380.134352	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2Cl"	69.938804
"1245171"	769.248785	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Br"	78.918885
"1307984"	771.304772	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Cl+HCOOH"	80.974872
"1325115"	793.286729	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Cl+NaCOOH"	102.956829
"916906"	803.315486	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M-H+CF3COOH"	112.985586
"1294706"	839.292164	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Cl+CF3COOH"	148.962264
"1370681"	655.317224	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H-2H2O"	-35.012676
"1385626"	673.3272	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H-H2O"	-17.0027
"287866"	1381.667076	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+H"	1.007276
"678464"	2071.996976	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+H"	1.007276
"1353357"	691.337176	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H"	1.007276
"128431"	691.337176	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+2H"	2.014552
"569087"	1036.502126	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+2H"	2.014552
"1042261"	346.172226	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2H"	2.014552
"204935"	461.227209333333	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+3H"	3.021828
"644488"	691.337176	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+3H"	3.021828
"1162814"	231.117242666667	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+3H"	3.021828
"424917"	1398.693623	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+NH4"	18.033823
"787744"	2089.023523	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+NH4"	18.033823
"1685534"	708.363723	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+NH4"	18.033823
"342203"	699.8504495	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+H+NH4"	19.041099
"733527"	1045.0153995	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+H+NH4"	19.041099
"1486253"	354.6854995	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H+NH4"	19.041099
"400562"	1403.649018	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+Na"	22.989218
"762650"	2093.978918	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+Na"	22.989218
"1608562"	713.319118	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Na"	22.989218
"320786"	702.328147	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+H+Na"	23.996494
"717581"	1047.493097	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+H+Na"	23.996494
"1472493"	357.163197	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H+Na"	23.996494
"1059179"	238.444556666667	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2H+Na"	25.00377
"1268513"	723.363386	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+CH3OH+H"	33.033486
"389275"	1419.622958	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+K"	38.963158
"752093"	2109.952858	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+K"	38.963158
"1552326"	729.293058	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+K"	38.963158
"307315"	710.315117	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+H+K"	39.970434
"703017"	1055.480067	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+H+K"	39.970434
"1457931"	365.150167	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H+K"	39.970434
"241065"	1422.693626	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+ACN+H"	42.033826
"1210615"	732.363726	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+ACN+H"	42.033826
"1197659"	366.685501	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+ACN+2H"	43.041102
"191624"	1425.63096	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+2Na-H"	44.97116
"628622"	2115.96086	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+2Na-H"	44.97116
"1131889"	735.30106	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2Na-H"	44.97116
"173029"	713.319118	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+2Na"	45.978436
"613035"	1058.484068	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+2Na"	45.978436
"1116058"	368.154168	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2Na"	45.978436
"1401656"	245.771870666667	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H+2Na"	46.985712
"1433409"	737.342646	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H+HCOOH"	47.012746
"225293"	718.35214	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+3H2O+2H"	56.04448
"1521012"	751.39469	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+IsoProp+H"	61.06479
"423012"	721.306088	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+Na+K"	61.952376
"784611"	1066.471038	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+Na+K"	61.952376
"1672560"	376.141138	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Na+K"	61.952376
"264547"	1444.675568	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+ACN+Na"	64.015768
"1236162"	754.345668	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+ACN+Na"	64.015768
"1725050"	754.369193	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+NH4+HCOOH"	64.039293
"1182751"	253.099184666667	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+3Na"	68.967654
"1653735"	759.324588	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Na+HCOOH"	68.994688
"158410"	1457.57884	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+2K-H"	76.91904
"599427"	2147.90874	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+2K-H"	76.91904
"1084670"	767.24894	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2K-H"	76.91904
"142942"	729.293058	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"2M+2K"	77.926316
"581572"	1074.458008	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"3M+2K"	77.926316
"1071032"	384.128108	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2K"	77.926316
"1107525"	769.263492	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2K+H"	78.933592
"1341722"	769.351107	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+DMSO+H"	79.021207
"1011346"	773.390276	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2ACN+H"	83.060376
"1526555"	774.383908	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+IsoProp+Na+H"	84.054008
"990690"	387.198776	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+2ACN+2H"	84.067652
"1590423"	775.298528	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+K+HCOOH"	84.968628
"1419364"	805.330038	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+H+CF3COOH"	115.000138
"1156214"	407.712051	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+3ACN+2H"	125.094202
"1705766"	822.356585	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+NH4+CF3COOH"	132.026685
"1640324"	827.31198	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+Na+CF3COOH"	136.98208
"1578161"	843.28592	"C08033"	"Dalfopristin"	"C34H50N4O9S"	"690.3299"	"M+K+CF3COOH"	152.95602
"816715"	1711.803	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M"	0
"989281"	1692.78461	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-H2O-H"	-19.01839
"77599"	1140.194724	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M-3H"	-3.021828
"512057"	1710.795724	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M-3H"	-3.021828
"886578"	569.593724	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-3H"	-3.021828
"7341"	1710.795724	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M-2H"	-2.014552
"450911"	2566.697224	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M-2H"	-2.014552
"825800"	854.894224	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-2H"	-2.014552
"90165"	3422.598724	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M-H"	-1.007276
"528632"	5134.401724	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M-H"	-1.007276
"899872"	1710.795724	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-H"	-1.007276
"52058"	3439.625271	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M-2H+NH4"	16.019271
"495993"	5151.428271	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M-2H+NH4"	16.019271
"875622"	1727.822271	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-2H+NH4"	16.019271
"43887"	3444.580666	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M-2H+Na"	20.974666
"480897"	5156.383666	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M-2H+Na"	20.974666
"852504"	1732.777666	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-2H+Na"	20.974666
"1623130"	1732.777666	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Na-2H"	20.974666
"104030"	1728.784063	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M-H+Cl"	33.962126
"541405"	2584.685563	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M-H+Cl"	33.962126
"932734"	872.882563	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-H+Cl"	33.962126
"275664"	3458.575402	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+Cl"	34.969402
"665897"	5170.378402	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+Cl"	34.969402
"1277206"	1746.772402	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Cl"	34.969402
"19761"	3460.554606	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M-2H+K"	36.948606
"460415"	5172.357606	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M-2H+K"	36.948606
"841504"	1748.751606	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-2H+K"	36.948606
"1562808"	1748.751606	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+K-2H"	36.948606
"948505"	1756.801194	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-H+HCOOH"	44.998194
"371096"	3468.604201	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+HCOOH-H"	44.998201
"354977"	3482.619851	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+Hac-H"	59.013851
"1502718"	1770.816851	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Hac-H"	59.013851
"968803"	1778.783151	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-H+NaCOOH"	66.980151
"113701"	1746.772402	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+2Cl"	69.938804
"551800"	2602.673902	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+2Cl"	69.938804
"1024247"	890.870902	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2Cl"	69.938804
"1242120"	1790.721885	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Br"	78.918885
"1311733"	1792.777872	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Cl+HCOOH"	80.974872
"1328137"	1814.759829	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Cl+NaCOOH"	102.956829
"915923"	1824.788586	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M-H+CF3COOH"	112.985586
"1291537"	1860.765264	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Cl+CF3COOH"	148.962264
"1369698"	1676.790324	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H-2H2O"	-35.012676
"1389379"	1694.8003	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H-H2O"	-17.0027
"290161"	3424.613276	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+H"	1.007276
"678210"	5136.416276	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+H"	1.007276
"1353467"	1712.810276	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H"	1.007276
"126719"	1712.810276	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+2H"	2.014552
"568468"	2568.711776	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+2H"	2.014552
"1039456"	856.908776	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2H"	2.014552
"204512"	1142.209276	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+3H"	3.021828
"644600"	1712.810276	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+3H"	3.021828
"1163336"	571.608276	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+3H"	3.021828
"424457"	3441.639823	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+NH4"	18.033823
"786881"	5153.442823	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+NH4"	18.033823
"1683458"	1729.836823	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+NH4"	18.033823
"343406"	1721.3235495	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+H+NH4"	19.041099
"733637"	2577.2250495	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+H+NH4"	19.041099
"1485270"	865.4220495	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H+NH4"	19.041099
"400672"	3446.595218	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+Na"	22.989218
"762761"	5158.398218	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+Na"	22.989218
"1611953"	1734.792218	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Na"	22.989218
"325270"	1723.801247	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+H+Na"	23.996494
"717692"	2579.702747	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+H+Na"	23.996494
"1470417"	867.899747	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H+Na"	23.996494
"1063663"	578.93559	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2H+Na"	25.00377
"1268623"	1744.836486	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+CH3OH+H"	33.033486
"389385"	3462.569158	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+K"	38.963158
"752568"	5174.372158	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+K"	38.963158
"1553529"	1750.766158	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+K"	38.963158
"308518"	1731.788217	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+H+K"	39.970434
"704219"	2587.689717	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+H+K"	39.970434
"1458038"	875.886717	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H+K"	39.970434
"242269"	3465.639826	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+ACN+H"	42.033826
"1211333"	1753.836826	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+ACN+H"	42.033826
"1195458"	877.422051	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+ACN+2H"	43.041102
"189664"	3468.57716	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+2Na-H"	44.97116
"628857"	5180.38016	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+2Na-H"	44.97116
"1132974"	1756.77416	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2Na-H"	44.97116
"173622"	1734.792218	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+2Na"	45.978436
"613878"	2590.693718	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+2Na"	45.978436
"1117022"	878.890718	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2Na"	45.978436
"1401400"	586.262904	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H+2Na"	46.985712
"1433883"	1758.815746	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H+HCOOH"	47.012746
"231964"	1739.82524	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+3H2O+2H"	56.04448
"1522707"	1772.86779	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+IsoProp+H"	61.06479
"423123"	1742.779188	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+Na+K"	61.952376
"783994"	2598.680688	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+Na+K"	61.952376
"1674857"	886.877688	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Na+K"	61.952376
"263564"	3487.621768	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+ACN+Na"	64.015768
"1230807"	1775.818768	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+ACN+Na"	64.015768
"1726253"	1775.842293	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+NH4+HCOOH"	64.039293
"1185047"	593.590218	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+3Na"	68.967654
"1656032"	1780.797688	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Na+HCOOH"	68.994688
"161801"	3500.52504	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+2K-H"	76.91904
"601360"	5212.32804	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+2K-H"	76.91904
"1086966"	1788.72204	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2K-H"	76.91904
"143781"	1750.766158	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"2M+2K"	77.926316
"582490"	2606.667658	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"3M+2K"	77.926316
"1070049"	894.864658	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2K"	77.926316
"1108729"	1790.736592	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2K+H"	78.933592
"1342925"	1790.824207	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+DMSO+H"	79.021207
"1015467"	1794.863376	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2ACN+H"	83.060376
"1524600"	1795.857008	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+IsoProp+Na+H"	84.054008
"993842"	897.935326	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+2ACN+2H"	84.067652
"1590535"	1796.771628	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+K+HCOOH"	84.968628
"1418381"	1826.803138	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+H+CF3COOH"	115.000138
"1155231"	918.448601	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+3ACN+2H"	125.094202
"1704783"	1843.829685	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+NH4+CF3COOH"	132.026685
"1640434"	1848.78508	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+Na+CF3COOH"	136.98208
"1578271"	1864.75902	"C08034"	"Quinupristin-dalfopristin"	"C53H67N9O10SC34H50N4O9S"	"1711.803"	"M+K+CF3COOH"	152.95602
"816921"	896.3198	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M"	0
"986550"	877.30141	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-H2O-H"	-19.01839
"76982"	596.539257333333	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M-3H"	-3.021828
"516176"	895.312524	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M-3H"	-3.021828
"892157"	297.765990666667	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-3H"	-3.021828
"15069"	895.312524	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M-2H"	-2.014552
"452845"	1343.472424	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M-2H"	-2.014552
"828096"	447.152624	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-2H"	-2.014552
"91005"	1791.632324	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M-H"	-1.007276
"525460"	2687.952124	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M-H"	-1.007276
"902169"	895.312524	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-H"	-1.007276
"57275"	1808.658871	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M-2H+NH4"	16.019271
"497929"	2704.978671	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M-2H+NH4"	16.019271
"875003"	912.339071	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-2H+NH4"	16.019271
"41812"	1813.614266	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M-2H+Na"	20.974666
"483560"	2709.934066	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M-2H+Na"	20.974666
"852614"	917.294466	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-2H+Na"	20.974666
"1622147"	917.294466	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Na-2H"	20.974666
"100862"	913.300863	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M-H+Cl"	33.962126
"539330"	1361.460763	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M-H+Cl"	33.962126
"932843"	465.140963	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-H+Cl"	33.962126
"271400"	1827.609002	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+Cl"	34.969402
"664548"	2723.928802	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+Cl"	34.969402
"1280597"	931.289202	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Cl"	34.969402
"22059"	1829.588206	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M-2H+K"	36.948606
"460525"	2725.908006	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M-2H+K"	36.948606
"840514"	933.268406	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-2H+K"	36.948606
"1569117"	933.268406	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+K-2H"	36.948606
"954087"	941.317994	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-H+HCOOH"	44.998194
"373394"	1837.637801	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+HCOOH-H"	44.998201
"355093"	1851.653451	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+Hac-H"	59.013851
"1501737"	955.333651	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Hac-H"	59.013851
"969278"	963.299951	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-H+NaCOOH"	66.980151
"113809"	931.289202	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+2Cl"	69.938804
"552277"	1379.449102	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+2Cl"	69.938804
"1025081"	483.129302	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2Cl"	69.938804
"1242594"	975.238685	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Br"	78.918885
"1310751"	977.294672	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Cl+HCOOH"	80.974872
"1324972"	999.276629	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Cl+NaCOOH"	102.956829
"914938"	1009.305386	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M-H+CF3COOH"	112.985586
"1291648"	1045.282064	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Cl+CF3COOH"	148.962264
"1369809"	861.307124	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H-2H2O"	-35.012676
"1389493"	879.3171	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H-H2O"	-17.0027
"290271"	1793.646876	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+H"	1.007276
"678321"	2689.966676	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+H"	1.007276
"1352237"	897.327076	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H"	1.007276
"127921"	897.327076	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+2H"	2.014552
"570403"	1345.486976	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+2H"	2.014552
"1038837"	449.167176	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2H"	2.014552
"204340"	598.553809333333	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+3H"	3.021828
"644469"	897.327076	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+3H"	3.021828
"1163933"	299.780542666667	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+3H"	3.021828
"424445"	1810.673423	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+NH4"	18.033823
"785725"	2706.993223	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+NH4"	18.033823
"1681346"	914.353623	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+NH4"	18.033823
"343882"	905.8403495	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+H+NH4"	19.041099
"735937"	1354.0002495	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+H+NH4"	19.041099
"1491944"	457.6804495	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H+NH4"	19.041099
"402969"	1815.628818	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+Na"	22.989218
"760681"	2711.948618	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+Na"	22.989218
"1608781"	919.309018	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Na"	22.989218
"323194"	908.318047	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+H+Na"	23.996494
"720962"	1356.477947	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+H+Na"	23.996494
"1473810"	460.158147	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H+Na"	23.996494
"1062680"	307.107856666667	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2H+Na"	25.00377
"1269825"	929.353286	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+CH3OH+H"	33.033486
"385121"	1831.602758	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+K"	38.963158
"751587"	2727.922558	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+K"	38.963158
"1550360"	935.282958	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+K"	38.963158
"305346"	916.305017	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+H+K"	39.970434
"692421"	1364.464917	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+H+K"	39.970434
"1447218"	468.145117	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H+K"	39.970434
"236423"	1834.673426	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+ACN+H"	42.033826
"1210463"	938.353626	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+ACN+H"	42.033826
"1194465"	469.680451	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+ACN+2H"	43.041102
"188875"	1837.61076	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+2Na-H"	44.97116
"628840"	2733.93056	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+2Na-H"	44.97116
"1132963"	941.29096	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2Na-H"	44.97116
"172891"	919.309018	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+2Na"	45.978436
"616302"	1367.468918	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+2Na"	45.978436
"1117620"	471.149118	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2Na"	45.978436
"1412448"	314.435170666667	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H+2Na"	46.985712
"1443475"	943.332546	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H+HCOOH"	47.012746
"235363"	924.34204	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+3H2O+2H"	56.04448
"1524115"	957.38459	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+IsoProp+H"	61.06479
"423727"	927.295988	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+Na+K"	61.952376
"783013"	1375.455888	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+Na+K"	61.952376
"1678251"	479.136088	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Na+K"	61.952376
"264405"	1856.655368	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+ACN+Na"	64.015768
"1239665"	960.335568	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+ACN+Na"	64.015768
"1719075"	960.359093	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+NH4+HCOOH"	64.039293
"1189531"	321.762484666667	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+3Na"	68.967654
"1653228"	965.314488	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Na+HCOOH"	68.994688
"158872"	1869.55864	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+2K-H"	76.91904
"598554"	2765.87844	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+2K-H"	76.91904
"1085984"	973.23884	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2K-H"	76.91904
"142311"	935.282958	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"2M+2K"	77.926316
"585647"	1383.442858	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"3M+2K"	77.926316
"1077815"	487.123058	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2K"	77.926316
"1106652"	975.253392	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2K+H"	78.933592
"1343038"	975.341007	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+DMSO+H"	79.021207
"1009381"	979.380176	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2ACN+H"	83.060376
"1527505"	980.373808	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+IsoProp+Na+H"	84.054008
"991400"	490.193726	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+2ACN+2H"	84.067652
"1590645"	981.288428	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+K+HCOOH"	84.968628
"1421773"	1011.319938	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+H+CF3COOH"	115.000138
"1155342"	510.707001	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+3ACN+2H"	125.094202
"1705987"	1028.346485	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+NH4+CF3COOH"	132.026685
"1643824"	1033.30188	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+Na+CF3COOH"	136.98208
"1578381"	1049.27582	"C08038"	"Chlorhexidine gluconate;Hibitane gluconate"	"C22H30Cl2N10(C6H12O7)2"	"896.3198"	"M+K+CF3COOH"	152.95602
"816971"	403.8499	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M"	0
"989456"	384.83151	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-H2O-H"	-19.01839
"77699"	268.225990666667	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M-3H"	-3.021828
"513370"	402.842624	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M-3H"	-3.021828
"890080"	133.609357333333	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-3H"	-3.021828
"15383"	402.842624	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M-2H"	-2.014552
"452590"	604.767574	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M-2H"	-2.014552
"828935"	200.917674	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-2H"	-2.014552
"91479"	806.692524	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M-H"	-1.007276
"528851"	1210.542424	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M-H"	-1.007276
"905558"	402.842624	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-H"	-1.007276
"58114"	823.719071	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M-2H+NH4"	16.019271
"498039"	1227.568971	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M-2H+NH4"	16.019271
"876206"	419.869171	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-2H+NH4"	16.019271
"43016"	828.674466	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M-2H+Na"	20.974666
"484763"	1232.524366	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M-2H+Na"	20.974666
"858191"	424.824566	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-2H+Na"	20.974666
"1625537"	424.824566	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Na-2H"	20.974666
"104982"	420.830963	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M-H+Cl"	33.962126
"538347"	622.755913	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M-H+Cl"	33.962126
"938056"	218.906013	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-H+Cl"	33.962126
"275885"	842.669202	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+Cl"	34.969402
"666119"	1246.519102	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+Cl"	34.969402
"1278521"	438.819302	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Cl"	34.969402
"19985"	844.648406	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M-2H+K"	36.948606
"461731"	1248.498306	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M-2H+K"	36.948606
"839895"	440.798506	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-2H+K"	36.948606
"1568498"	440.798506	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+K-2H"	36.948606
"953102"	448.848094	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-H+HCOOH"	44.998194
"366943"	852.698001	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+HCOOH-H"	44.998201
"353014"	866.713651	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+Hac-H"	59.013851
"1498565"	462.863751	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Hac-H"	59.013851
"969387"	470.830051	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-H+NaCOOH"	66.980151
"112825"	438.819302	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+2Cl"	69.938804
"552387"	640.744252	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+2Cl"	69.938804
"1023733"	236.894352	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2Cl"	69.938804
"1242945"	482.768785	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Br"	78.918885
"1306125"	484.824772	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Cl+HCOOH"	80.974872
"1321802"	506.806729	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Cl+NaCOOH"	102.956829
"914316"	516.835486	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M-H+CF3COOH"	112.985586
"1290295"	552.812164	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Cl+CF3COOH"	148.962264
"1368455"	368.837224	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H-2H2O"	-35.012676
"1384136"	386.8472	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H-H2O"	-17.0027
"287101"	808.707076	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+H"	1.007276
"678795"	1212.556976	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+H"	1.007276
"1352225"	404.857176	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H"	1.007276
"126207"	404.857176	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+2H"	2.014552
"569784"	606.782126	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+2H"	2.014552
"1038945"	202.932226	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2H"	2.014552
"204776"	270.240542666667	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+3H"	3.021828
"644574"	404.857176	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+3H"	3.021828
"1162989"	135.623909333333	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+3H"	3.021828
"424315"	825.733623	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+NH4"	18.033823
"785755"	1229.583523	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+NH4"	18.033823
"1681847"	421.883723	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+NH4"	18.033823
"341439"	413.3704495	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+H+NH4"	19.041099
"733859"	615.2953995	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+H+NH4"	19.041099
"1488773"	211.4454995	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H+NH4"	19.041099
"400892"	830.689018	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+Na"	22.989218
"762979"	1234.538918	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+Na"	22.989218
"1612171"	426.839118	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Na"	22.989218
"324398"	415.848147	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+H+Na"	23.996494
"719006"	617.773097	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+H+Na"	23.996494
"1473921"	213.923197	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H+Na"	23.996494
"1062790"	142.951223333333	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2H+Na"	25.00377
"1269935"	436.883386	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+CH3OH+H"	33.033486
"388511"	846.662958	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+K"	38.963158
"748418"	1250.512858	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+K"	38.963158
"1547191"	442.813058	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+K"	38.963158
"308741"	423.835117	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+H+K"	39.970434
"692168"	625.760067	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+H+K"	39.970434
"1447692"	221.910167	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H+K"	39.970434
"238843"	849.733626	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+ACN+H"	42.033826
"1211186"	445.883726	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+ACN+H"	42.033826
"1194266"	223.445501	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+ACN+2H"	43.041102
"188563"	852.67096	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+2Na-H"	44.97116
"628608"	1256.52086	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+2Na-H"	44.97116
"1131461"	448.82106	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2Na-H"	44.97116
"173054"	426.839118	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+2Na"	45.978436
"612808"	628.764068	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+2Na"	45.978436
"1118459"	224.914168	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2Na"	45.978436
"1401983"	150.278537333333	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H+2Na"	46.985712
"1443585"	450.862646	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H+HCOOH"	47.012746
"235602"	431.87214	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+3H2O+2H"	56.04448
"1524022"	464.91469	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+IsoProp+H"	61.06479
"424175"	434.826088	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+Na+K"	61.952376
"783123"	636.751038	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+Na+K"	61.952376
"1677268"	232.901138	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Na+K"	61.952376
"264879"	871.715568	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+ACN+Na"	64.015768
"1240504"	467.865668	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+ACN+Na"	64.015768
"1721009"	467.889193	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+NH4+HCOOH"	64.039293
"1189640"	157.605851333333	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+3Na"	68.967654
"1652243"	472.844588	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Na+HCOOH"	68.994688
"159470"	884.61884	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+2K-H"	76.91904
"599758"	1288.46874	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+2K-H"	76.91904
"1088280"	480.76894	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2K-H"	76.91904
"142548"	442.813058	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"2M+2K"	77.926316
"582596"	644.738008	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"3M+2K"	77.926316
"1075738"	240.888108	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2K"	77.926316
"1106762"	482.783492	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2K+H"	78.933592
"1340232"	482.871107	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+DMSO+H"	79.021207
"1013865"	486.910276	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2ACN+H"	83.060376
"1525669"	487.903908	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+IsoProp+Na+H"	84.054008
"990778"	243.958776	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+2ACN+2H"	84.067652
"1590755"	488.818528	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+K+HCOOH"	84.968628
"1421883"	518.850038	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+H+CF3COOH"	115.000138
"1160192"	264.472051	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+3ACN+2H"	125.094202
"1707191"	535.876585	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+NH4+CF3COOH"	132.026685
"1640654"	540.83198	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+Na+CF3COOH"	136.98208
"1578491"	556.80592	"C08039"	"Hexachlorophene"	"C13H6Cl6O2"	"403.8499"	"M+K+CF3COOH"	152.95602
"816153"	419.6771	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M"	0
"989041"	400.65871	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-H2O-H"	-19.01839
"77326"	278.777457333333	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M-3H"	-3.021828
"516397"	418.669824	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M-3H"	-3.021828
"889097"	138.885090666667	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-3H"	-3.021828
"15454"	418.669824	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M-2H"	-2.014552
"451608"	628.508374	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M-2H"	-2.014552
"828681"	208.831274	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-2H"	-2.014552
"88309"	838.346924	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M-H"	-1.007276
"528962"	1258.024024	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M-H"	-1.007276
"905669"	418.669824	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-H"	-1.007276
"55671"	855.373471	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M-2H+NH4"	16.019271
"498513"	1275.050571	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M-2H+NH4"	16.019271
"874130"	435.696371	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-2H+NH4"	16.019271
"43124"	860.328866	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M-2H+Na"	20.974666
"479404"	1280.005966	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M-2H+Na"	20.974666
"859395"	440.651766	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-2H+Na"	20.974666
"1630020"	440.651766	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Na-2H"	20.974666
"103269"	436.658163	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M-H+Cl"	33.962126
"541736"	646.496713	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M-H+Cl"	33.962126
"935250"	226.819613	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-H+Cl"	33.962126
"275994"	874.323602	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+Cl"	34.969402
"664043"	1294.000702	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+Cl"	34.969402
"1277902"	454.646502	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Cl"	34.969402
"20458"	876.302806	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M-2H+K"	36.948606
"460746"	1295.979906	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M-2H+K"	36.948606
"840368"	456.625706	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-2H+K"	36.948606
"1568608"	456.625706	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+K-2H"	36.948606
"953212"	464.675294	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-H+HCOOH"	44.998194
"368146"	884.352401	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+HCOOH-H"	44.998201
"353124"	898.368051	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+Hac-H"	59.013851
"1498675"	478.690951	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Hac-H"	59.013851
"968404"	486.657251	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-H+NaCOOH"	66.980151
"112935"	454.646502	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+2Cl"	69.938804
"551766"	664.485052	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+2Cl"	69.938804
"1022750"	244.807952	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2Cl"	69.938804
"1243056"	498.595985	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Br"	78.918885
"1308057"	500.651972	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Cl+HCOOH"	80.974872
"1320819"	522.633929	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Cl+NaCOOH"	102.956829
"913331"	532.662686	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M-H+CF3COOH"	112.985586
"1290772"	568.639364	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Cl+CF3COOH"	148.962264
"1369662"	384.664424	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H-2H2O"	-35.012676
"1384246"	402.6744	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H-H2O"	-17.0027
"290491"	840.361476	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+H"	1.007276
"678540"	1260.038576	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+H"	1.007276
"1353797"	420.684376	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H"	1.007276
"129966"	420.684376	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+2H"	2.014552
"567706"	630.522926	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+2H"	2.014552
"1040150"	210.845826	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2H"	2.014552
"204520"	280.792009333333	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+3H"	3.021828
"644808"	420.684376	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+3H"	3.021828
"1163302"	140.899642666667	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+3H"	3.021828
"425112"	857.388023	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+NH4"	18.033823
"785672"	1277.065123	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+NH4"	18.033823
"1682324"	437.710923	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+NH4"	18.033823
"343736"	429.1976495	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+H+NH4"	19.041099
"732877"	639.0361995	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+H+NH4"	19.041099
"1488883"	219.3590995	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H+NH4"	19.041099
"405378"	862.343418	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+Na"	22.989218
"758716"	1282.020518	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+Na"	22.989218
"1607908"	442.666318	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Na"	22.989218
"327058"	431.675347	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+H+Na"	23.996494
"718021"	641.513897	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+H+Na"	23.996494
"1472937"	221.836797	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H+Na"	23.996494
"1060713"	148.226956666667	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2H+Na"	25.00377
"1269684"	452.710586	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+CH3OH+H"	33.033486
"388988"	878.317358	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+K"	38.963158
"750346"	1297.994458	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+K"	38.963158
"1549485"	458.640258	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+K"	38.963158
"308851"	439.662317	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+H+K"	39.970434
"693616"	649.500867	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+H+K"	39.970434
"1449625"	229.823767	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H+K"	39.970434
"237860"	881.388026	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+ACN+H"	42.033826
"1210933"	461.710926	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+ACN+H"	42.033826
"1194560"	231.359101	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+ACN+2H"	43.041102
"188688"	884.32536	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+2Na-H"	44.97116
"628698"	1304.00246	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+2Na-H"	44.97116
"1131552"	464.64826	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2Na-H"	44.97116
"173343"	442.666318	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+2Na"	45.978436
"612948"	652.504868	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+2Na"	45.978436
"1115763"	232.827768	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2Na"	45.978436
"1399418"	155.554270666667	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H+2Na"	46.985712
"1433117"	466.689846	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H+HCOOH"	47.012746
"226824"	447.69934	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+3H2O+2H"	56.04448
"1510878"	480.74189	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+IsoProp+H"	61.06479
"423980"	450.653288	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+Na+K"	61.952376
"781046"	660.491838	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+Na+K"	61.952376
"1674096"	240.814738	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Na+K"	61.952376
"261709"	903.369968	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+ACN+Na"	64.015768
"1238791"	483.692868	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+ACN+Na"	64.015768
"1726585"	483.716393	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+NH4+HCOOH"	64.039293
"1188658"	162.881584666667	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+3Na"	68.967654
"1651744"	488.671788	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Na+HCOOH"	68.994688
"159579"	916.27324	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+2K-H"	76.91904
"599503"	1335.95034	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+2K-H"	76.91904
"1086931"	496.59614	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2K-H"	76.91904
"143024"	458.640258	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"2M+2K"	77.926316
"583678"	668.478808	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"3M+2K"	77.926316
"1074755"	248.801708	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2K"	77.926316
"1110152"	498.610692	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2K+H"	78.933592
"1342165"	498.698307	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+DMSO+H"	79.021207
"1016893"	502.737476	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2ACN+H"	83.060376
"1529912"	503.731108	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+IsoProp+Na+H"	84.054008
"991986"	251.872376	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+2ACN+2H"	84.067652
"1591958"	504.645728	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+K+HCOOH"	84.968628
"1421993"	534.677238	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+H+CF3COOH"	115.000138
"1159937"	272.385651	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+3ACN+2H"	125.094202
"1708394"	551.703785	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+NH4+CF3COOH"	132.026685
"1640764"	556.65918	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+Na+CF3COOH"	136.98208
"1578601"	572.63312	"C08040"	"Iodine aqueous;Iodine-potassium iodide complex;Potassium triiodide"	"KI3"	"419.6771"	"M+K+CF3COOH"	152.95602
"816833"	198.0389	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M"	0
"987980"	179.02051	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-H2O-H"	-19.01839
"78314"	131.018657333333	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M-3H"	-3.021828
"517479"	197.031624	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M-3H"	-3.021828
"894320"	65.0056906666667	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-3H"	-3.021828
"14961"	197.031624	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M-2H"	-2.014552
"455125"	296.051074	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M-2H"	-2.014552
"831101"	98.012174	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-2H"	-2.014552
"91334"	395.070524	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M-H"	-1.007276
"530530"	593.109424	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M-H"	-1.007276
"909429"	197.031624	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-H"	-1.007276
"62795"	412.097071	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M-2H+NH4"	16.019271
"502797"	610.135971	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M-2H+NH4"	16.019271
"879713"	214.058171	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-2H+NH4"	16.019271
"46154"	417.052466	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M-2H+Na"	20.974666
"485959"	615.091366	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M-2H+Na"	20.974666
"860600"	219.013566	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-2H+Na"	20.974666
"1632683"	219.013566	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Na-2H"	20.974666
"103380"	215.019963	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M-H+Cl"	33.962126
"542941"	314.039413	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M-H+Cl"	33.962126
"938642"	116.000513	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-H+Cl"	33.962126
"276105"	431.047202	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+Cl"	34.969402
"666704"	629.086102	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+Cl"	34.969402
"1278378"	233.008302	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Cl"	34.969402
"20567"	433.026406	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M-2H+K"	36.948606
"464498"	631.065306	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M-2H+K"	36.948606
"841937"	234.987506	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-2H+K"	36.948606
"1563965"	234.987506	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+K-2H"	36.948606
"951129"	243.037094	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-H+HCOOH"	44.998194
"371537"	441.076001	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+HCOOH-H"	44.998201
"358699"	455.091651	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+Hac-H"	59.013851
"1505711"	257.052751	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Hac-H"	59.013851
"968516"	265.019051	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-H+NaCOOH"	66.980151
"117419"	233.008302	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+2Cl"	69.938804
"552606"	332.027752	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+2Cl"	69.938804
"1026873"	133.988852	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2Cl"	69.938804
"1244629"	276.957785	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Br"	78.918885
"1307439"	279.013772	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Cl+HCOOH"	80.974872
"1324211"	300.995729	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Cl+NaCOOH"	102.956829
"917456"	311.024486	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M-H+CF3COOH"	112.985586
"1294164"	347.001164	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Cl+CF3COOH"	148.962264
"1371232"	163.026224	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H-2H2O"	-35.012676
"1386543"	181.0362	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H-H2O"	-17.0027
"290601"	397.085076	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+H"	1.007276
"680838"	595.123976	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+H"	1.007276
"1357188"	199.046176	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H"	1.007276
"137732"	199.046176	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+2H"	2.014552
"574014"	298.065626	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+2H"	2.014552
"1040260"	100.026726	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2H"	2.014552
"206338"	133.033209333333	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+3H"	3.021828
"646990"	199.046176	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+3H"	3.021828
"1164749"	67.0202426666667	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+3H"	3.021828
"427295"	414.111623	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+NH4"	18.033823
"787561"	612.150523	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+NH4"	18.033823
"1684261"	216.072723	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+NH4"	18.033823
"344821"	207.5594495	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+H+NH4"	19.041099
"736267"	306.5788995	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+H+NH4"	19.041099
"1490087"	108.5399995	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H+NH4"	19.041099
"403302"	419.067018	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+Na"	22.989218
"761013"	617.105918	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+Na"	22.989218
"1609112"	221.028118	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Na"	22.989218
"327169"	210.037147	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+H+Na"	23.996494
"719955"	309.056597	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+H+Na"	23.996494
"1471954"	111.017697	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H+Na"	23.996494
"1063010"	74.3475566666667	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2H+Na"	25.00377
"1269794"	231.072386	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+CH3OH+H"	33.033486
"390923"	435.040958	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+K"	38.963158
"752279"	633.079858	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+K"	38.963158
"1553607"	237.002058	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+K"	38.963158
"307505"	218.024117	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+H+K"	39.970434
"703568"	317.043567	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+H+K"	39.970434
"1456294"	119.004667	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H+K"	39.970434
"241617"	438.111626	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+ACN+H"	42.033826
"1210918"	240.072726	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+ACN+H"	42.033826
"1195044"	120.540001	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+ACN+2H"	43.041102
"189493"	441.04896	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+2Na-H"	44.97116
"629544"	639.08786	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+2Na-H"	44.97116
"1134144"	243.01006	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2Na-H"	44.97116
"174518"	221.028118	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+2Na"	45.978436
"613954"	320.047568	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+2Na"	45.978436
"1117950"	122.008668	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2Na"	45.978436
"1399527"	81.6748706666667	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H+2Na"	46.985712
"1433591"	245.051646	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H+HCOOH"	47.012746
"224747"	226.06114	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+3H2O+2H"	56.04448
"1512080"	259.10369	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+IsoProp+H"	61.06479
"422353"	229.015088	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+Na+K"	61.952376
"780063"	328.034538	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+Na+K"	61.952376
"1671291"	129.995638	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Na+K"	61.952376
"259633"	460.093568	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+ACN+Na"	64.015768
"1235625"	262.054668	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+ACN+Na"	64.015768
"1722324"	262.078193	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+NH4+HCOOH"	64.039293
"1190229"	89.0021846666667	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+3Na"	68.967654
"1658659"	267.033588	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Na+HCOOH"	68.994688
"159690"	472.99684	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+2K-H"	76.91904
"600709"	671.03574	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+2K-H"	76.91904
"1087043"	274.95794	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2K-H"	76.91904
"142644"	237.002058	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"2M+2K"	77.926316
"583788"	336.021508	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"3M+2K"	77.926316
"1074500"	137.982608	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2K"	77.926316
"1104795"	276.972492	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2K+H"	78.933592
"1340088"	277.060107	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+DMSO+H"	79.021207
"1016275"	281.099276	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2ACN+H"	83.060376
"1530024"	282.092908	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+IsoProp+Na+H"	84.054008
"990513"	141.053276	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+2ACN+2H"	84.067652
"1590976"	283.007528	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+K+HCOOH"	84.968628
"1424290"	313.039038	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+H+CF3COOH"	115.000138
"1153484"	161.566551	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+3ACN+2H"	125.094202
"1703036"	330.065585	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+NH4+CF3COOH"	132.026685
"1647435"	335.02098	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+Na+CF3COOH"	136.98208
"1578711"	350.99492	"C08042"	"Nitrofurazone;5-Nitro-2-furaldehyde semicarbazone"	"C6H6N4O4"	"198.0389"	"M+K+CF3COOH"	152.95602
"805800"	582.2054	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M"	0
"989302"	563.18701	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-H2O-H"	-19.01839
"77549"	387.129657333333	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M-3H"	-3.021828
"515889"	581.198124	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M-3H"	-3.021828
"893689"	193.061190666667	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-3H"	-3.021828
"14584"	581.198124	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M-2H"	-2.014552
"453285"	872.300824	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M-2H"	-2.014552
"832432"	290.095424	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-2H"	-2.014552
"92914"	1163.403524	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M-H"	-1.007276
"533317"	1745.608924	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M-H"	-1.007276
"909666"	581.198124	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-H"	-1.007276
"61124"	1180.430071	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M-2H+NH4"	16.019271
"501411"	1762.635471	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M-2H+NH4"	16.019271
"878488"	598.224671	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-2H+NH4"	16.019271
"45662"	1185.385466	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M-2H+Na"	20.974666
"485952"	1767.590866	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M-2H+Na"	20.974666
"862050"	603.180066	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-2H+Na"	20.974666
"1631706"	603.180066	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Na-2H"	20.974666
"107140"	599.186463	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M-H+Cl"	33.962126
"546332"	890.289163	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M-H+Cl"	33.962126
"940580"	308.083763	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-H+Cl"	33.962126
"281198"	1199.380202	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+Cl"	34.969402
"674228"	1781.585602	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+Cl"	34.969402
"1283228"	617.174802	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Cl"	34.969402
"21410"	1201.359406	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M-2H+K"	36.948606
"463156"	1783.564806	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M-2H+K"	36.948606
"840955"	619.154006	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-2H+K"	36.948606
"1567732"	619.154006	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+K-2H"	36.948606
"957484"	627.203594	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-H+HCOOH"	44.998194
"372741"	1209.409001	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+HCOOH-H"	44.998201
"357719"	1223.424651	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+Hac-H"	59.013851
"1505457"	641.219251	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Hac-H"	59.013851
"967533"	649.185551	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-H+NaCOOH"	66.980151
"114250"	617.174802	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+2Cl"	69.938804
"558184"	908.277502	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+2Cl"	69.938804
"1026984"	326.072102	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2Cl"	69.938804
"1250936"	661.124285	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Br"	78.918885
"1307918"	663.180272	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Cl+HCOOH"	80.974872
"1330882"	685.162229	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Cl+NaCOOH"	102.956829
"924858"	695.190986	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M-H+CF3COOH"	112.985586
"1295369"	731.167664	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Cl+CF3COOH"	148.962264
"1373530"	547.192724	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H-2H2O"	-35.012676
"1393213"	565.2027	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H-H2O"	-17.0027
"289621"	1165.418076	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+H"	1.007276
"680950"	1747.623476	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+H"	1.007276
"1360578"	583.212676	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H"	1.007276
"137842"	583.212676	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+2H"	2.014552
"567561"	874.315376	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+2H"	2.014552
"1039639"	292.109976	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2H"	2.014552
"206811"	389.144209333333	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+3H"	3.021828
"647100"	583.212676	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+3H"	3.021828
"1164497"	195.075742666667	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+3H"	3.021828
"426312"	1182.444623	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+NH4"	18.033823
"789862"	1764.650023	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+NH4"	18.033823
"1685466"	600.239223	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+NH4"	18.033823
"345384"	591.7259495	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+H+NH4"	19.041099
"736379"	882.8286495	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+H+NH4"	19.041099
"1492026"	300.6232495	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H+NH4"	19.041099
"401225"	1187.400018	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+Na"	22.989218
"765499"	1769.605418	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+Na"	22.989218
"1613597"	605.194618	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Na"	22.989218
"328007"	594.203647	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+H+Na"	23.996494
"718242"	885.306347	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+H+Na"	23.996494
"1472064"	303.100947	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H+Na"	23.996494
"1062026"	202.403056666667	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2H+Na"	25.00377
"1268082"	615.238886	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+CH3OH+H"	33.033486
"391031"	1203.373958	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+K"	38.963158
"752027"	1785.579358	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+K"	38.963158
"1553716"	621.168558	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+K"	38.963158
"305789"	602.190617	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+H+K"	39.970434
"702585"	893.293317	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+H+K"	39.970434
"1455311"	311.087917	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H+K"	39.970434
"243914"	1206.444626	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+ACN+H"	42.033826
"1215528"	624.239226	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+ACN+H"	42.033826
"1199410"	312.623251	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+ACN+2H"	43.041102
"193374"	1209.38196	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+2Na-H"	44.97116
"631112"	1791.58736	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+2Na-H"	44.97116
"1132550"	627.17656	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2Na-H"	44.97116
"174141"	605.194618	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+2Na"	45.978436
"614306"	896.297318	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+2Na"	45.978436
"1118422"	314.091918	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2Na"	45.978436
"1399513"	209.730370666667	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H+2Na"	46.985712
"1430658"	629.218146	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H+HCOOH"	47.012746
"221209"	610.22764	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+3H2O+2H"	56.04448
"1511462"	643.27019	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+IsoProp+H"	61.06479
"423186"	613.181588	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+Na+K"	61.952376
"784180"	904.284288	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+Na+K"	61.952376
"1678326"	322.078888	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Na+K"	61.952376
"265577"	1228.426568	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+ACN+Na"	64.015768
"1238651"	646.221168	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+ACN+Na"	64.015768
"1721337"	646.244693	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+NH4+HCOOH"	64.039293
"1189975"	217.057684666667	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+3Na"	68.967654
"1659863"	651.200088	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Na+HCOOH"	68.994688
"161258"	1241.32984	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+2K-H"	76.91904
"600820"	1823.53524	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+2K-H"	76.91904
"1087880"	659.12444	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2K-H"	76.91904
"142391"	621.168558	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"2M+2K"	77.926316
"582677"	912.271258	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"3M+2K"	77.926316
"1073880"	330.065858	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2K"	77.926316
"1110372"	661.138992	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2K+H"	78.933592
"1343476"	661.226607	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+DMSO+H"	79.021207
"1018207"	665.265776	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2ACN+H"	83.060376
"1533414"	666.259408	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+IsoProp+Na+H"	84.054008
"996583"	333.136526	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+2ACN+2H"	84.067652
"1599106"	667.174028	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+K+HCOOH"	84.968628
"1426953"	697.205538	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+H+CF3COOH"	115.000138
"1157969"	353.649801	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+3ACN+2H"	125.094202
"1708614"	714.232085	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+NH4+CF3COOH"	132.026685
"1647545"	719.18748	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+Na+CF3COOH"	136.98208
"1572623"	735.16142	"C08046"	"Kanamycin sulfate;Kanamycin monosulfate"	"C18H36N4O11H2SO4"	"582.2054"	"M+K+CF3COOH"	152.95602
"816933"	270.0245	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M"	0
"989288"	251.00611	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-H2O-H"	-19.01839
"77897"	179.009057333333	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M-3H"	-3.021828
"517820"	269.017224	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M-3H"	-3.021828
"893437"	89.0008906666666	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-3H"	-3.021828
"13835"	269.017224	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M-2H"	-2.014552
"455668"	404.029474	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M-2H"	-2.014552
"829376"	134.004974	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-2H"	-2.014552
"88638"	539.041724	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M-H"	-1.007276
"534101"	809.066224	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M-H"	-1.007276
"910742"	269.017224	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-H"	-1.007276
"61105"	556.068271	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M-2H+NH4"	16.019271
"497750"	826.092771	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M-2H+NH4"	16.019271
"876646"	286.043771	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-2H+NH4"	16.019271
"43452"	561.023666	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M-2H+Na"	20.974666
"485936"	831.048166	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M-2H+Na"	20.974666
"863006"	290.999166	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-2H+Na"	20.974666
"1633558"	290.999166	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Na-2H"	20.974666
"108948"	287.005563	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M-H+Cl"	33.962126
"548875"	422.017813	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M-H+Cl"	33.962126
"941293"	151.993313	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-H+Cl"	33.962126
"279605"	575.018402	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+Cl"	34.969402
"673119"	845.042902	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+Cl"	34.969402
"1284428"	304.993902	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Cl"	34.969402
"21515"	576.997606	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M-2H+K"	36.948606
"464352"	847.022106	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M-2H+K"	36.948606
"839967"	306.973106	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-2H+K"	36.948606
"1569666"	306.973106	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+K-2H"	36.948606
"953173"	315.022694	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-H+HCOOH"	44.998194
"373945"	585.047201	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+HCOOH-H"	44.998201
"358919"	599.062851	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+Hac-H"	59.013851
"1505563"	329.038351	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Hac-H"	59.013851
"968737"	337.004651	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-H+NaCOOH"	66.980151
"120923"	304.993902	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+2Cl"	69.938804
"561575"	440.006152	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+2Cl"	69.938804
"1030376"	169.981652	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2Cl"	69.938804
"1244486"	348.943385	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Br"	78.918885
"1310213"	350.999372	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Cl+HCOOH"	80.974872
"1324429"	372.981329	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Cl+NaCOOH"	102.956829
"916583"	383.010086	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M-H+CF3COOH"	112.985586
"1292197"	418.986764	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Cl+CF3COOH"	148.962264
"1369629"	235.011824	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H-2H2O"	-35.012676
"1385665"	253.0218	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H-H2O"	-17.0027
"288631"	541.056276	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+H"	1.007276
"682151"	811.080776	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+H"	1.007276
"1356314"	271.031776	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H"	1.007276
"128473"	271.031776	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+2H"	2.014552
"569862"	406.044026	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+2H"	2.014552
"1040115"	136.019526	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2H"	2.014552
"206190"	181.023609333333	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+3H"	3.021828
"645751"	271.031776	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+3H"	3.021828
"1162819"	91.0154426666667	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+3H"	3.021828
"424354"	558.082823	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+NH4"	18.033823
"785831"	828.107323	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+NH4"	18.033823
"1683748"	288.058323	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+NH4"	18.033823
"345294"	279.5450495	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+H+NH4"	19.041099
"738485"	414.5572995	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+H+NH4"	19.041099
"1492703"	144.5327995	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H+NH4"	19.041099
"404616"	563.038218	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+Na"	22.989218
"769258"	833.062718	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+Na"	22.989218
"1618087"	293.013718	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Na"	22.989218
"327029"	282.022747	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+H+Na"	23.996494
"717261"	417.034997	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+H+Na"	23.996494
"1469990"	147.010497	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H+Na"	23.996494
"1064327"	98.3427566666667	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2H+Na"	25.00377
"1269286"	303.057986	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+CH3OH+H"	33.033486
"391141"	579.012158	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+K"	38.963158
"748856"	849.036658	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+K"	38.963158
"1553097"	308.987658	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+K"	38.963158
"305900"	290.009717	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+H+K"	39.970434
"703789"	425.021967	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+H+K"	39.970434
"1449957"	154.997467	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H+K"	39.970434
"242933"	582.082826	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+ACN+H"	42.033826
"1212356"	312.058326	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+ACN+H"	42.033826
"1197333"	156.532801	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+ACN+2H"	43.041102
"188984"	585.02016	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+2Na-H"	44.97116
"629520"	855.04466	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+2Na-H"	44.97116
"1131376"	314.99566	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2Na-H"	44.97116
"173044"	293.013718	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+2Na"	45.978436
"613007"	428.025968	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+2Na"	45.978436
"1115724"	158.001468	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2Na"	45.978436
"1399139"	105.670070666667	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H+2Na"	46.985712
"1435272"	317.037246	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H+HCOOH"	47.012746
"223142"	298.04674	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+3H2O+2H"	56.04448
"1511572"	331.08929	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+IsoProp+H"	61.06479
"420374"	301.000688	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+Na+K"	61.952376
"781372"	436.012938	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+Na+K"	61.952376
"1679289"	165.988438	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Na+K"	61.952376
"265323"	604.064768	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+ACN+Na"	64.015768
"1234748"	334.040268	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+ACN+Na"	64.015768
"1723635"	334.063793	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+NH4+HCOOH"	64.039293
"1186801"	112.997384666667	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+3Na"	68.967654
"1656694"	339.019188	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Na+HCOOH"	68.994688
"162826"	616.96804	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+2K-H"	76.91904
"602387"	886.99254	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+2K-H"	76.91904
"1086902"	346.94354	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2K-H"	76.91904
"151011"	308.987658	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"2M+2K"	77.926316
"589477"	443.999908	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"3M+2K"	77.926316
"1080554"	173.975408	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2K"	77.926316
"1110120"	348.958092	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2K+H"	78.933592
"1347234"	349.045707	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+DMSO+H"	79.021207
"1017226"	353.084876	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2ACN+H"	83.060376
"1534621"	354.078508	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+IsoProp+Na+H"	84.054008
"999974"	177.046076	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+2ACN+2H"	84.067652
"1600310"	354.993128	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+K+HCOOH"	84.968628
"1428158"	385.024638	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+H+CF3COOH"	115.000138
"1161362"	197.559351	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+3ACN+2H"	125.094202
"1710547"	402.051185	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+NH4+CF3COOH"	132.026685
"1647656"	407.00658	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+Na+CF3COOH"	136.98208
"1582213"	422.98052	"C08050"	"Sulfamethizole"	"C9H10N4O2S2"	"270.0245"	"M+K+CF3COOH"	152.95602
"809300"	236.0232	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M"	0
"983929"	217.00481	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-H2O-H"	-19.01839
"77643"	156.341524	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M-3H"	-3.021828
"518015"	235.015924	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M-3H"	-3.021828
"891725"	77.667124	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-3H"	-3.021828
"13945"	235.015924	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M-2H"	-2.014552
"455208"	353.027524	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M-2H"	-2.014552
"829486"	117.004324	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-2H"	-2.014552
"88748"	471.039124	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M-H"	-1.007276
"534022"	707.062324	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M-H"	-1.007276
"911218"	235.015924	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-H"	-1.007276
"61093"	488.065671	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M-2H+NH4"	16.019271
"501140"	724.088871	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M-2H+NH4"	16.019271
"879186"	252.042471	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-2H+NH4"	16.019271
"44655"	493.021066	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M-2H+Na"	20.974666
"486289"	729.044266	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M-2H+Na"	20.974666
"863118"	256.997866	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-2H+Na"	20.974666
"1632651"	256.997866	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Na-2H"	20.974666
"108816"	253.004263	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M-H+Cl"	33.962126
"546553"	371.015863	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M-H+Cl"	33.962126
"941523"	134.992663	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-H+Cl"	33.962126
"275341"	507.015802	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+Cl"	34.969402
"668855"	743.039002	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+Cl"	34.969402
"1280165"	270.992602	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Cl"	34.969402
"19439"	508.995006	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M-2H+K"	36.948606
"460089"	745.018206	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M-2H+K"	36.948606
"837890"	272.971806	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-2H+K"	36.948606
"1558464"	272.971806	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+K-2H"	36.948606
"944888"	281.021394	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-H+HCOOH"	44.998194
"375146"	517.044601	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+HCOOH-H"	44.998201
"356841"	531.060251	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+Hac-H"	59.013851
"1504580"	295.037051	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Hac-H"	59.013851
"967753"	303.003351	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-H+NaCOOH"	66.980151
"123219"	270.992602	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+2Cl"	69.938804
"561685"	389.004202	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+2Cl"	69.938804
"1030486"	152.981002	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2Cl"	69.938804
"1247876"	314.942085	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Br"	78.918885
"1310323"	316.998072	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Cl+HCOOH"	80.974872
"1324540"	338.980029	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Cl+NaCOOH"	102.956829
"916693"	349.008786	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M-H+CF3COOH"	112.985586
"1291578"	384.985464	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Cl+CF3COOH"	148.962264
"1368646"	201.010524	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H-2H2O"	-35.012676
"1384682"	219.0205	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H-H2O"	-17.0027
"289835"	473.053676	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+H"	1.007276
"686634"	709.076876	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+H"	1.007276
"1358610"	237.030476	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H"	1.007276
"128583"	237.030476	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+2H"	2.014552
"572158"	355.042076	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+2H"	2.014552
"1040954"	119.018876	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2H"	2.014552
"207759"	158.356076	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+3H"	3.021828
"646589"	237.030476	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+3H"	3.021828
"1164352"	79.681676	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+3H"	3.021828
"424707"	490.080223	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+NH4"	18.033823
"785688"	726.103423	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+NH4"	18.033823
"1683129"	254.057023	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+NH4"	18.033823
"345586"	245.5437495	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+H+NH4"	19.041099
"738184"	363.5553495	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+H+NH4"	19.041099
"1490785"	127.5321495	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H+NH4"	19.041099
"404726"	495.035618	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+Na"	22.989218
"765722"	731.058818	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+Na"	22.989218
"1618339"	259.012418	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Na"	22.989218
"326774"	248.021447	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+H+Na"	23.996494
"720650"	366.033047	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+H+Na"	23.996494
"1470100"	130.009847	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H+Na"	23.996494
"1065166"	87.00899	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2H+Na"	25.00377
"1268302"	269.056686	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+CH3OH+H"	33.033486
"389064"	511.009558	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+K"	38.963158
"751152"	747.032758	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+K"	38.963158
"1554666"	274.986358	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+K"	38.963158
"308196"	256.008417	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+H+K"	39.970434
"703899"	374.020017	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+H+K"	39.970434
"1450067"	137.996817	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H+K"	39.970434
"241949"	514.080226	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+ACN+H"	42.033826
"1211008"	278.057026	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+ACN+H"	42.033826
"1195621"	139.532151	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+ACN+2H"	43.041102
"191408"	517.01756	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+2Na-H"	44.97116
"629875"	753.04076	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+2Na-H"	44.97116
"1134839"	280.99436	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2Na-H"	44.97116
"173102"	259.012418	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+2Na"	45.978436
"613026"	377.024018	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+2Na"	45.978436
"1115882"	141.000818	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2Na"	45.978436
"1400100"	94.336304	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H+2Na"	46.985712
"1429985"	283.035946	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H+HCOOH"	47.012746
"220248"	264.04544	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+3H2O+2H"	56.04448
"1510954"	297.08799	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+IsoProp+H"	61.06479
"418297"	266.999388	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+Na+K"	61.952376
"781482"	385.010988	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+Na+K"	61.952376
"1680250"	148.987788	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Na+K"	61.952376
"266038"	536.062168	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+ACN+Na"	64.015768
"1234857"	300.038968	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+ACN+Na"	64.015768
"1724836"	300.062493	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+NH4+HCOOH"	64.039293
"1189100"	101.663618	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+3Na"	68.967654
"1661179"	305.017888	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Na+HCOOH"	68.994688
"166947"	548.96544	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+2K-H"	76.91904
"601404"	784.98864	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+2K-H"	76.91904
"1092115"	312.94224	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2K-H"	76.91904
"151121"	274.986358	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"2M+2K"	77.926316
"589587"	392.997958	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"3M+2K"	77.926316
"1078476"	156.974758	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2K"	77.926316
"1107314"	314.956792	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2K+H"	78.933592
"1346978"	315.044407	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+DMSO+H"	79.021207
"1018430"	319.083576	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2ACN+H"	83.060376
"1536918"	320.077208	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+IsoProp+Na+H"	84.054008
"1000084"	160.045426	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+2ACN+2H"	84.067652
"1600421"	320.991828	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+K+HCOOH"	84.968628
"1428634"	351.023338	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+H+CF3COOH"	115.000138
"1160379"	180.558701	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+3ACN+2H"	125.094202
"1711750"	368.049885	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+NH4+CF3COOH"	132.026685
"1647766"	373.00528	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+Na+CF3COOH"	136.98208
"1582323"	388.97922	"C08051"	"Sulfacetamide sodium anhydrous"	"C8H9N2O3SNa"	"236.0232"	"M+K+CF3COOH"	152.95602
"809410"	262.059	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M"	0
"988413"	243.04061	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-H2O-H"	-19.01839
"77387"	173.698724	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M-3H"	-3.021828
"517311"	261.051724	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M-3H"	-3.021828
"892928"	86.345724	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-3H"	-3.021828
"15158"	261.051724	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M-2H"	-2.014552
"455284"	392.081224	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M-2H"	-2.014552
"832035"	130.022224	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-2H"	-2.014552
"92990"	523.110724	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M-H"	-1.007276
"533531"	785.169724	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M-H"	-1.007276
"910723"	261.051724	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-H"	-1.007276
"62342"	540.137271	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M-2H+NH4"	16.019271
"501864"	802.196271	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M-2H+NH4"	16.019271
"878081"	278.078271	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-2H+NH4"	16.019271
"46350"	545.092666	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M-2H+Na"	20.974666
"485915"	807.151666	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M-2H+Na"	20.974666
"863102"	283.033666	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-2H+Na"	20.974666
"1633372"	283.033666	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Na-2H"	20.974666
"109415"	279.040063	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M-H+Cl"	33.962126
"548119"	410.069563	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M-H+Cl"	33.962126
"941757"	148.010563	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-H+Cl"	33.962126
"280798"	559.087402	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+Cl"	34.969402
"672975"	821.146402	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+Cl"	34.969402
"1280275"	297.028402	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Cl"	34.969402
"19550"	561.066606	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M-2H+K"	36.948606
"460199"	823.125606	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M-2H+K"	36.948606
"839093"	299.007606	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-2H+K"	36.948606
"1559302"	299.007606	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+K-2H"	36.948606
"948277"	307.057194	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-H+HCOOH"	44.998194
"363221"	569.116201	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+HCOOH-H"	44.998201
"356951"	583.131851	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+Hac-H"	59.013851
"1501409"	321.072851	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Hac-H"	59.013851
"969323"	329.039151	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-H+NaCOOH"	66.980151
"120049"	297.028402	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+2Cl"	69.938804
"558515"	428.057902	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+2Cl"	69.938804
"1033876"	165.998902	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2Cl"	69.938804
"1251266"	340.977885	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Br"	78.918885
"1316631"	343.033872	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Cl+HCOOH"	80.974872
"1321371"	365.015829	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Cl+NaCOOH"	102.956829
"913523"	375.044586	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M-H+CF3COOH"	112.985586
"1297885"	411.021264	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Cl+CF3COOH"	148.962264
"1370579"	227.046324	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H-2H2O"	-35.012676
"1389167"	245.0563	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H-H2O"	-17.0027
"292132"	525.125276	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+H"	1.007276
"685651"	787.184276	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+H"	1.007276
"1355439"	263.066276	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H"	1.007276
"133797"	263.066276	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+2H"	2.014552
"573362"	394.095776	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+2H"	2.014552
"1039242"	132.036776	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2H"	2.014552
"207504"	175.713276	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+3H"	3.021828
"648888"	263.066276	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+3H"	3.021828
"1163732"	88.360276	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+3H"	3.021828
"424693"	542.151823	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+NH4"	18.033823
"786292"	804.210823	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+NH4"	18.033823
"1682510"	280.092823	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+NH4"	18.033823
"343924"	271.5795495	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+H+NH4"	19.041099
"733428"	402.6090495	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+H+NH4"	19.041099
"1487246"	140.5500495	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H+NH4"	19.041099
"402649"	547.107218	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+Na"	22.989218
"765832"	809.166218	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+Na"	22.989218
"1617458"	285.048218	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Na"	22.989218
"326520"	274.057247	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+H+Na"	23.996494
"720394"	405.086747	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+H+Na"	23.996494
"1469113"	143.027747	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H+Na"	23.996494
"1063452"	95.68759	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2H+Na"	25.00377
"1266223"	295.092486	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+CH3OH+H"	33.033486
"390267"	563.081158	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+K"	38.963158
"750167"	825.140158	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+K"	38.963158
"1552223"	301.022158	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+K"	38.963158
"310494"	282.044217	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+H+K"	39.970434
"704009"	413.073717	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+H+K"	39.970434
"1453458"	151.014717	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H+K"	39.970434
"239872"	566.151826	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+ACN+H"	42.033826
"1212942"	304.092826	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+ACN+H"	42.033826
"1194637"	152.550051	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+ACN+2H"	43.041102
"190424"	569.08916	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+2Na-H"	44.97116
"629256"	831.14816	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+2Na-H"	44.97116
"1133855"	307.03016	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2Na-H"	44.97116
"173087"	285.048218	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+2Na"	45.978436
"614029"	416.077718	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+2Na"	45.978436
"1116805"	154.018718	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2Na"	45.978436
"1399482"	103.014904	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H+2Na"	46.985712
"1431478"	309.071746	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H+HCOOH"	47.012746
"220686"	290.08124	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+3H2O+2H"	56.04448
"1511428"	323.12379	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+IsoProp+H"	61.06479
"419501"	293.035188	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+Na+K"	61.952376
"781592"	424.064688	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+Na+K"	61.952376
"1679021"	162.005688	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Na+K"	61.952376
"264446"	588.133768	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+ACN+Na"	64.015768
"1233145"	326.074768	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+ACN+Na"	64.015768
"1720572"	326.098293	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+NH4+HCOOH"	64.039293
"1187751"	110.342218	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+3Na"	68.967654
"1656186"	331.053688	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Na+HCOOH"	68.994688
"163044"	601.03704	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+2K-H"	76.91904
"600418"	863.09604	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+2K-H"	76.91904
"1087122"	338.97804	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2K-H"	76.91904
"145763"	301.022158	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"2M+2K"	77.926316
"591885"	432.051658	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"3M+2K"	77.926316
"1078586"	169.992658	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2K"	77.926316
"1112891"	340.992592	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2K+H"	78.933592
"1347088"	341.080207	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+DMSO+H"	79.021207
"1020728"	345.119376	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2ACN+H"	83.060376
"1538123"	346.113008	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+IsoProp+Na+H"	84.054008
"1003110"	173.063326	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+2ACN+2H"	84.067652
"1601624"	347.027628	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+K+HCOOH"	84.968628
"1429108"	377.059138	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+H+CF3COOH"	115.000138
"1160853"	193.576601	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+3ACN+2H"	125.094202
"1711131"	394.085685	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+NH4+CF3COOH"	132.026685
"1648605"	399.04108	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+Na+CF3COOH"	136.98208
"1582433"	415.01502	"C08052"	"Cinoxacin"	"C12H10N2O5"	"262.059"	"M+K+CF3COOH"	152.95602
"814990"	387.1161	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M"	0
"979775"	368.09771	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-H2O-H"	-19.01839
"75672"	257.070124	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M-3H"	-3.021828
"515234"	386.108824	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M-3H"	-3.021828
"893038"	128.031424	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-3H"	-3.021828
"15137"	386.108824	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M-2H"	-2.014552
"455235"	579.666874	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M-2H"	-2.014552
"832267"	192.550774	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-2H"	-2.014552
"93353"	773.224924	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M-H"	-1.007276
"533763"	1160.341024	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M-H"	-1.007276
"910466"	386.108824	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-H"	-1.007276
"62374"	790.251471	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M-2H+NH4"	16.019271
"501975"	1177.367571	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M-2H+NH4"	16.019271
"879415"	403.135371	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-2H+NH4"	16.019271
"45731"	795.206866	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M-2H+Na"	20.974666
"486632"	1182.322966	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M-2H+Na"	20.974666
"863952"	408.090766	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-2H+Na"	20.974666
"1633361"	408.090766	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Na-2H"	20.974666
"108553"	404.097163	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M-H+Cl"	33.962126
"547743"	597.655213	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M-H+Cl"	33.962126
"941992"	210.539113	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-H+Cl"	33.962126
"280786"	809.201602	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+Cl"	34.969402
"673085"	1196.317702	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+Cl"	34.969402
"1278198"	422.085502	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Cl"	34.969402
"20753"	811.180806	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M-2H+K"	36.948606
"458488"	1198.296906	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M-2H+K"	36.948606
"839206"	424.064706	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-2H+K"	36.948606
"1557225"	424.064706	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+K-2H"	36.948606
"944744"	432.114294	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-H+HCOOH"	44.998194
"366610"	819.230401	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+HCOOH-H"	44.998201
"357061"	833.246051	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+Hac-H"	59.013851
"1499332"	446.129951	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Hac-H"	59.013851
"972344"	454.096251	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-H+NaCOOH"	66.980151
"117972"	422.085502	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+2Cl"	69.938804
"560812"	615.643552	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+2Cl"	69.938804
"1030706"	228.527452	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2Cl"	69.938804
"1248096"	466.034985	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Br"	78.918885
"1311638"	468.090972	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Cl+HCOOH"	80.974872
"1328040"	490.072929	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Cl+NaCOOH"	102.956829
"914725"	500.101686	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M-H+CF3COOH"	112.985586
"1294715"	536.078364	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Cl+CF3COOH"	148.962264
"1371782"	352.103424	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H-2H2O"	-35.012676
"1387089"	370.1134	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H-H2O"	-17.0027
"288961"	775.239476	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+H"	1.007276
"683574"	1162.355576	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+H"	1.007276
"1355550"	388.123376	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H"	1.007276
"133907"	388.123376	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+2H"	2.014552
"574566"	581.681426	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+2H"	2.014552
"1042268"	194.565326	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2H"	2.014552
"209075"	259.084676	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+3H"	3.021828
"648269"	388.123376	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+3H"	3.021828
"1163233"	130.045976	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+3H"	3.021828
"425166"	792.266023	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+NH4"	18.033823
"785914"	1179.382123	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+NH4"	18.033823
"1683714"	405.149923	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+NH4"	18.033823
"344160"	396.6366495	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+H+NH4"	19.041099
"737547"	590.1946995	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+H+NH4"	19.041099
"1489542"	203.0785995	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H+NH4"	19.041099
"405310"	797.221418	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+Na"	22.989218
"765943"	1184.337518	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+Na"	22.989218
"1615140"	410.105318	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Na"	22.989218
"327356"	399.114347	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+H+Na"	23.996494
"718682"	592.672397	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+H+Na"	23.996494
"1469223"	205.556297	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H+Na"	23.996494
"1063562"	137.37329	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2H+Na"	25.00377
"1271197"	420.149586	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+CH3OH+H"	33.033486
"390019"	813.195358	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+K"	38.963158
"751737"	1200.311458	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+K"	38.963158
"1551969"	426.079258	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+K"	38.963158
"313525"	407.101317	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+H+K"	39.970434
"705215"	600.659367	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+H+K"	39.970434
"1449194"	213.543267	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H+K"	39.970434
"238159"	816.266026	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+ACN+H"	42.033826
"1212324"	429.149926	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+ACN+H"	42.033826
"1196207"	215.078601	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+ACN+2H"	43.041102
"190534"	819.20336	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+2Na-H"	44.97116
"629367"	1206.31946	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+2Na-H"	44.97116
"1135060"	432.08726	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2Na-H"	44.97116
"177621"	410.105318	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+2Na"	45.978436
"614021"	603.663368	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+2Na"	45.978436
"1116554"	216.547268	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2Na"	45.978436
"1402390"	144.700604	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H+2Na"	46.985712
"1437789"	434.128846	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H+HCOOH"	47.012746
"224203"	415.13834	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+3H2O+2H"	56.04448
"1514453"	448.18089	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+IsoProp+H"	61.06479
"417424"	418.092288	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+Na+K"	61.952376
"775502"	611.650338	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+Na+K"	61.952376
"1675850"	224.534238	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Na+K"	61.952376
"259090"	838.247968	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+ACN+Na"	64.015768
"1237264"	451.131868	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+ACN+Na"	64.015768
"1722869"	451.155393	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+NH4+HCOOH"	64.039293
"1186038"	152.027918	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+3Na"	68.967654
"1655566"	456.110788	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Na+HCOOH"	68.994688
"161696"	851.15124	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+2K-H"	76.91904
"601621"	1238.26734	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+2K-H"	76.91904
"1087232"	464.03514	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2K-H"	76.91904
"145873"	426.079258	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"2M+2K"	77.926316
"590902"	619.637308	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"3M+2K"	77.926316
"1081979"	232.521208	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2K"	77.926316
"1112637"	466.049692	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2K+H"	78.933592
"1347199"	466.137307	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+DMSO+H"	79.021207
"1020841"	470.176476	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2ACN+H"	83.060376
"1536046"	471.170108	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+IsoProp+Na+H"	84.054008
"1002491"	235.591876	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+2ACN+2H"	84.067652
"1599912"	472.084728	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+K+HCOOH"	84.968628
"1429099"	502.116238	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+H+CF3COOH"	115.000138
"1158412"	256.105151	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+3ACN+2H"	125.094202
"1709056"	519.142785	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+NH4+CF3COOH"	132.026685
"1647622"	524.09818	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+Na+CF3COOH"	136.98208
"1582543"	540.07212	"C08053"	"Lomefloxacin hydrochloride"	"C17H19F2N3O3HCl"	"387.1161"	"M+K+CF3COOH"	152.95602
"809630"	437.1518	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M"	0
"980978"	418.13341	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-H2O-H"	-19.01839
"75782"	290.427257333333	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M-3H"	-3.021828
"516438"	436.144524	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M-3H"	-3.021828
"892054"	144.709990666667	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-3H"	-3.021828
"15247"	436.144524	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M-2H"	-2.014552
"455572"	654.720424	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M-2H"	-2.014552
"831891"	217.568624	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-2H"	-2.014552
"93465"	873.296324	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M-H"	-1.007276
"533876"	1310.448124	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M-H"	-1.007276
"911065"	436.144524	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-H"	-1.007276
"62288"	890.322871	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M-2H+NH4"	16.019271
"502328"	1327.474671	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M-2H+NH4"	16.019271
"879157"	453.171071	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-2H+NH4"	16.019271
"46568"	895.278266	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M-2H+Na"	20.974666
"486945"	1332.430066	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M-2H+Na"	20.974666
"862967"	458.126466	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-2H+Na"	20.974666
"1633107"	458.126466	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Na-2H"	20.974666
"108420"	454.132863	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M-H+Cl"	33.962126
"548706"	672.708763	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M-H+Cl"	33.962126
"941975"	235.556963	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-H+Cl"	33.962126
"275670"	909.273002	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+Cl"	34.969402
"670279"	1346.424802	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+Cl"	34.969402
"1276121"	472.121202	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Cl"	34.969402
"21956"	911.252206	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M-2H+K"	36.948606
"459326"	1348.404006	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M-2H+K"	36.948606
"836034"	474.100406	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-2H+K"	36.948606
"1559156"	474.100406	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+K-2H"	36.948606
"945581"	482.149994	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-H+HCOOH"	44.998194
"363441"	919.301801	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+HCOOH-H"	44.998201
"349509"	933.317451	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+Hac-H"	59.013851
"1496159"	496.165651	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Hac-H"	59.013851
"972090"	504.131951	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-H+NaCOOH"	66.980151
"123552"	472.121202	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+2Cl"	69.938804
"564203"	690.697102	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+2Cl"	69.938804
"1029723"	253.545302	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2Cl"	69.938804
"1248206"	516.070685	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Br"	78.918885
"1309561"	518.126672	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Cl+HCOOH"	80.974872
"1324870"	540.108629	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Cl+NaCOOH"	102.956829
"913012"	550.137386	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M-H+CF3COOH"	112.985586
"1294825"	586.114064	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Cl+CF3COOH"	148.962264
"1370799"	402.139124	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H-2H2O"	-35.012676
"1387200"	420.1491	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H-H2O"	-17.0027
"291259"	875.310876	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+H"	1.007276
"683684"	1312.462676	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+H"	1.007276
"1360032"	438.159076	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H"	1.007276
"130736"	438.159076	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+2H"	2.014552
"575770"	656.734976	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+2H"	2.014552
"1040557"	219.583176	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2H"	2.014552
"207364"	292.441809333333	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+3H"	3.021828
"645462"	438.159076	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+3H"	3.021828
"1163101"	146.724542666667	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+3H"	3.021828
"424508"	892.337423	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+NH4"	18.033823
"786149"	1329.489223	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+NH4"	18.033823
"1681878"	455.185623	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+NH4"	18.033823
"344758"	446.6723495	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+H+NH4"	19.041099
"736931"	665.2482495	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+H+NH4"	19.041099
"1490385"	228.0964495	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H+NH4"	19.041099
"404691"	897.292818	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+Na"	22.989218
"766053"	1334.444618	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+Na"	22.989218
"1616709"	460.141018	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Na"	22.989218
"328195"	449.150047	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+H+Na"	23.996494
"721344"	667.725947	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+H+Na"	23.996494
"1469332"	230.574147	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H+Na"	23.996494
"1061484"	154.051856666667	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2H+Na"	25.00377
"1271185"	470.185286	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+CH3OH+H"	33.033486
"391218"	913.266758	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+K"	38.963158
"751848"	1350.418558	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+K"	38.963158
"1553172"	476.114958	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+K"	38.963158
"313516"	457.137017	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+H+K"	39.970434
"706418"	675.712917	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+H+K"	39.970434
"1455865"	238.561117	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H+K"	39.970434
"238633"	916.337426	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+ACN+H"	42.033826
"1211340"	479.185626	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+ACN+H"	42.033826
"1197411"	240.096451	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+ACN+2H"	43.041102
"190282"	919.27476	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+2Na-H"	44.97116
"630205"	1356.42656	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+2Na-H"	44.97116
"1133711"	482.12296	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2Na-H"	44.97116
"174572"	460.141018	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+2Na"	45.978436
"615103"	678.716918	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+2Na"	45.978436
"1119338"	241.565118	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2Na"	45.978436
"1402136"	161.379170666667	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H+2Na"	46.985712
"1437899"	484.164546	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H+HCOOH"	47.012746
"224313"	465.17404	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+3H2O+2H"	56.04448
"1514563"	498.21659	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+IsoProp+H"	61.06479
"417534"	468.127988	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+Na+K"	61.952376
"776341"	686.703888	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+Na+K"	61.952376
"1672680"	249.552088	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Na+K"	61.952376
"259200"	938.319368	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+ACN+Na"	64.015768
"1235186"	501.167568	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+ACN+Na"	64.015768
"1721887"	501.191093	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+NH4+HCOOH"	64.039293
"1187242"	168.706484666667	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+3Na"	68.967654
"1659321"	506.146488	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Na+HCOOH"	68.994688
"162902"	951.22264	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+2K-H"	76.91904
"600638"	1388.37444	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+2K-H"	76.91904
"1086979"	514.07084	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2K-H"	76.91904
"148171"	476.114958	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"2M+2K"	77.926316
"588825"	694.690858	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"3M+2K"	77.926316
"1075526"	257.539058	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2K"	77.926316
"1114814"	516.085392	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2K+H"	78.933592
"1348403"	516.173007	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+DMSO+H"	79.021207
"1021031"	520.212176	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2ACN+H"	83.060376
"1539400"	521.205808	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+IsoProp+Na+H"	84.054008
"1001509"	260.609726	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+2ACN+2H"	84.067652
"1600387"	522.120428	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+K+HCOOH"	84.968628
"1428843"	552.151938	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+H+CF3COOH"	115.000138
"1159251"	281.123001	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+3ACN+2H"	125.094202
"1709166"	569.178485	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+NH4+CF3COOH"	132.026685
"1647002"	574.13388	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+Na+CF3COOH"	136.98208
"1582653"	590.10782	"C08054"	"Moxifloxacin hydrochloride"	"C21H24FN3O4HCl"	"437.1518"	"M+K+CF3COOH"	152.95602
"809740"	175.0245	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M"	0
"983275"	156.00611	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-H2O-H"	-19.01839
"74799"	115.675724	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M-3H"	-3.021828
"513267"	174.017224	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M-3H"	-3.021828
"891071"	57.334224	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-3H"	-3.021828
"14507"	174.017224	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M-2H"	-2.014552
"455245"	261.529474	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M-2H"	-2.014552
"832700"	86.504974	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-2H"	-2.014552
"92593"	349.041724	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M-H"	-1.007276
"534209"	524.066224	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M-H"	-1.007276
"910075"	174.017224	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-H"	-1.007276
"61656"	366.068271	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M-2H+NH4"	16.019271
"501096"	541.092771	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M-2H+NH4"	16.019271
"879389"	191.043771	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-2H+NH4"	16.019271
"46719"	371.023666	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M-2H+Na"	20.974666
"484656"	546.048166	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M-2H+Na"	20.974666
"864162"	195.999166	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-2H+Na"	20.974666
"1633909"	195.999166	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Na-2H"	20.974666
"109465"	192.005563	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M-H+Cl"	33.962126
"549932"	279.517813	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M-H+Cl"	33.962126
"942641"	104.493313	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-H+Cl"	33.962126
"277967"	385.018402	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+Cl"	34.969402
"670389"	560.042902	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+Cl"	34.969402
"1279510"	209.993902	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Cl"	34.969402
"22066"	386.997606	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M-2H+K"	36.948606
"459071"	562.022106	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M-2H+K"	36.948606
"837238"	211.973106	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-2H+K"	36.948606
"1558538"	211.973106	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+K-2H"	36.948606
"945692"	220.022694	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-H+HCOOH"	44.998194
"366830"	395.047201	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+HCOOH-H"	44.998201
"349619"	409.062851	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+Hac-H"	59.013851
"1493716"	234.038351	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Hac-H"	59.013851
"959674"	242.004651	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-H+NaCOOH"	66.980151
"124756"	209.993902	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+2Cl"	69.938804
"564313"	297.506152	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+2Cl"	69.938804
"1029833"	122.481652	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2Cl"	69.938804
"1250503"	253.943385	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Br"	78.918885
"1308578"	255.999372	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Cl+HCOOH"	80.974872
"1330447"	277.981329	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Cl+NaCOOH"	102.956829
"912029"	288.010086	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M-H+CF3COOH"	112.985586
"1294935"	323.986764	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Cl+CF3COOH"	148.962264
"1370909"	140.011824	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H-2H2O"	-35.012676
"1385123"	158.0218	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H-H2O"	-17.0027
"284077"	351.056276	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+H"	1.007276
"681607"	526.080776	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+H"	1.007276
"1361235"	176.031776	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H"	1.007276
"131937"	176.031776	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+2H"	2.014552
"578066"	263.544026	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+2H"	2.014552
"1040303"	88.519526	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2H"	2.014552
"205287"	117.690276	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+3H"	3.021828
"644837"	176.031776	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+3H"	3.021828
"1163044"	59.348776	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+3H"	3.021828
"424348"	368.082823	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+NH4"	18.033823
"786059"	543.107323	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+NH4"	18.033823
"1684298"	193.058323	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+NH4"	18.033823
"345355"	184.5450495	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+H+NH4"	19.041099
"738409"	272.0572995	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+H+NH4"	19.041099
"1489038"	97.0327995	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H+NH4"	19.041099
"402979"	373.038218	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+Na"	22.989218
"767986"	548.062718	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+Na"	22.989218
"1617181"	198.013718	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Na"	22.989218
"327940"	187.022747	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+H+Na"	23.996494
"718903"	274.534997	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+H+Na"	23.996494
"1467255"	99.510497	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H+Na"	23.996494
"1058314"	66.67609	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2H+Na"	25.00377
"1269835"	208.057986	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+CH3OH+H"	33.033486
"387317"	389.012158	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+K"	38.963158
"749405"	564.036658	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+K"	38.963158
"1552918"	213.987658	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+K"	38.963158
"314224"	195.009717	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+H+K"	39.970434
"706528"	282.521967	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+H+K"	39.970434
"1455974"	107.497467	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H+K"	39.970434
"242388"	392.082826	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+ACN+H"	42.033826
"1213273"	217.058326	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+ACN+H"	42.033826
"1197885"	109.032801	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+ACN+2H"	43.041102
"192942"	395.02016	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+2Na-H"	44.97116
"629705"	570.04466	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+2Na-H"	44.97116
"1132237"	219.99566	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2Na-H"	44.97116
"176020"	198.013718	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+2Na"	45.978436
"614725"	285.525968	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+2Na"	45.978436
"1125646"	110.501468	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2Na"	45.978436
"1401882"	74.003404	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H+2Na"	46.985712
"1438009"	222.037246	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H+HCOOH"	47.012746
"224423"	203.04674	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+3H2O+2H"	56.04448
"1515766"	236.08929	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+IsoProp+H"	61.06479
"416551"	206.000688	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+Na+K"	61.952376
"777544"	293.512938	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+Na+K"	61.952376
"1674977"	118.488438	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Na+K"	61.952376
"260404"	414.064768	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+ACN+Na"	64.015768
"1236393"	239.040268	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+ACN+Na"	64.015768
"1724185"	239.063793	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+NH4+HCOOH"	64.039293
"1185166"	81.330718	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+3Na"	68.967654
"1655058"	244.019188	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Na+HCOOH"	68.994688
"163012"	426.96804	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+2K-H"	76.91904
"598318"	601.99254	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+2K-H"	76.91904
"1087089"	251.94354	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2K-H"	76.91904
"148281"	213.987658	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"2M+2K"	77.926316
"590028"	301.499908	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"3M+2K"	77.926316
"1076730"	126.475408	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2K"	77.926316
"1113222"	253.958092	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2K+H"	78.933592
"1345233"	254.045707	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+DMSO+H"	79.021207
"1021061"	258.084876	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2ACN+H"	83.060376
"1539857"	259.078508	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+IsoProp+Na+H"	84.054008
"1004537"	129.546076	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+2ACN+2H"	84.067652
"1600497"	259.993128	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+K+HCOOH"	84.968628
"1428345"	290.024638	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+H+CF3COOH"	115.000138
"1156444"	150.059351	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+3ACN+2H"	125.094202
"1708183"	307.051185	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+NH4+CF3COOH"	132.026685
"1646019"	312.00658	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+Na+CF3COOH"	136.98208
"1579483"	327.98052	"C08055"	"Aminosalicylate sodium anhydrous;Sodium p-aminosalicylate"	"C7H6NO3Na"	"175.0245"	"M+K+CF3COOH"	152.95602
"806570"	102.0429	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M"	0
"983385"	83.02451	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H2O-H"	-19.01839
"74909"	67.021324	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-3H"	-3.021828
"515564"	101.035624	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-3H"	-3.021828
"893367"	33.007024	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-3H"	-3.021828
"15225"	101.035624	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H"	-2.014552
"455531"	152.057074	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H"	-2.014552
"832588"	50.014174	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H"	-2.014552
"94172"	203.078524	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-H"	-1.007276
"534057"	305.121424	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-H"	-1.007276
"910797"	101.035624	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H"	-1.007276
"62852"	220.105071	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H+NH4"	16.019271
"502784"	322.147971	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H+NH4"	16.019271
"879820"	118.062171	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H+NH4"	16.019271
"47101"	225.060466	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H+Na"	20.974666
"486758"	327.103366	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H+Na"	20.974666
"864210"	123.017566	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H+Na"	20.974666
"1633937"	123.017566	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na-2H"	20.974666
"109652"	119.023963	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-H+Cl"	33.962126
"548923"	170.045413	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-H+Cl"	33.962126
"942647"	68.002513	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+Cl"	33.962126
"279170"	239.055202	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Cl"	34.969402
"671593"	341.098102	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+Cl"	34.969402
"1285086"	137.012302	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl"	34.969402
"17802"	241.034406	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M-2H+K"	36.948606
"457116"	343.077306	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M-2H+K"	36.948606
"834796"	138.991506	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-2H+K"	36.948606
"1558281"	138.991506	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K-2H"	36.948606
"944829"	147.041094	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+HCOOH"	44.998194
"364753"	249.084001	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+HCOOH-H"	44.998201
"346448"	263.099651	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Hac-H"	59.013851
"1493584"	161.056751	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Hac-H"	59.013851
"958814"	169.023051	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+NaCOOH"	66.980151
"110757"	137.012302	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2Cl"	69.938804
"565195"	188.033752	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2Cl"	69.938804
"1031035"	85.990852	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2Cl"	69.938804
"1254988"	180.961785	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Br"	78.918885
"1315249"	183.017772	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl+HCOOH"	80.974872
"1325455"	204.999729	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl+NaCOOH"	102.956829
"917243"	215.028486	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M-H+CF3COOH"	112.985586
"1293221"	251.005164	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Cl+CF3COOH"	148.962264
"1368465"	67.030224	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H-2H2O"	-35.012676
"1385233"	85.0402	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H-H2O"	-17.0027
"286012"	205.093076	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H"	1.007276
"682809"	307.135976	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H"	1.007276
"1360252"	103.050176	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H"	1.007276
"130951"	103.050176	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2H"	2.014552
"579269"	154.071626	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2H"	2.014552
"1045882"	52.028726	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2H"	2.014552
"207585"	69.035876	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+3H"	3.021828
"648604"	103.050176	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+3H"	3.021828
"1164541"	35.021576	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+3H"	3.021828
"425990"	222.119623	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+NH4"	18.033823
"788807"	324.162523	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+NH4"	18.033823
"1682584"	120.076723	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+NH4"	18.033823
"344616"	111.5634495	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H+NH4"	19.041099
"738245"	162.5848995	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H+NH4"	19.041099
"1492602"	60.5419995	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+NH4"	19.041099
"408193"	227.075018	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Na"	22.989218
"767366"	329.117918	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+Na"	22.989218
"1617288"	125.032118	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na"	22.989218
"326592"	114.041147	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H+Na"	23.996494
"719013"	165.062597	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H+Na"	23.996494
"1467365"	63.019697	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+Na"	23.996494
"1059518"	42.34889	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2H+Na"	25.00377
"1266664"	135.076386	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+CH3OH+H"	33.033486
"390343"	243.048958	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+K"	38.963158
"747328"	345.091858	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+K"	38.963158
"1554366"	141.006058	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K"	38.963158
"314197"	122.028117	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+H+K"	39.970434
"706562"	173.049567	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+H+K"	39.970434
"1457542"	71.006667	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+K"	39.970434
"242498"	246.119626	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+ACN+H"	42.033826
"1213020"	144.076726	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+ACN+H"	42.033826
"1198359"	72.542001	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+ACN+2H"	43.041102
"191595"	249.05696	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2Na-H"	44.97116
"629208"	351.09986	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2Na-H"	44.97116
"1133200"	147.01406	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2Na-H"	44.97116
"179410"	125.032118	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2Na"	45.978436
"613983"	176.053568	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2Na"	45.978436
"1126849"	74.010668	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2Na"	45.978436
"1401628"	49.676204	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+2Na"	46.985712
"1438119"	149.055646	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+HCOOH"	47.012746
"225626"	130.06514	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+3H2O+2H"	56.04448
"1515876"	163.10769	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+IsoProp+H"	61.06479
"418847"	133.019088	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+Na+K"	61.952376
"778748"	184.040538	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+Na+K"	61.952376
"1678363"	81.997638	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na+K"	61.952376
"262701"	268.101568	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+ACN+Na"	64.015768
"1231033"	166.058668	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+ACN+Na"	64.015768
"1722107"	166.082193	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+NH4+HCOOH"	64.039293
"1190380"	57.003518	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+3Na"	68.967654
"1657357"	171.037588	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na+HCOOH"	68.994688
"161299"	281.00484	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2K-H"	76.91904
"602685"	383.04774	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2K-H"	76.91904
"1087199"	178.96194	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2K-H"	76.91904
"148391"	141.006058	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"2M+2K"	77.926316
"589045"	192.027508	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"3M+2K"	77.926316
"1082189"	89.984608	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2K"	77.926316
"1113454"	180.976492	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2K+H"	78.933592
"1350446"	181.064107	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+DMSO+H"	79.021207
"1019343"	185.103276	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2ACN+H"	83.060376
"1539298"	186.096908	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+IsoProp+Na+H"	84.054008
"1005015"	93.055276	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+2ACN+2H"	84.067652
"1602068"	187.011528	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K+HCOOH"	84.968628
"1428455"	217.043038	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+H+CF3COOH"	115.000138
"1156554"	113.568551	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+3ACN+2H"	125.094202
"1710480"	234.069585	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+NH4+CF3COOH"	132.026685
"1646129"	239.02498	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+Na+CF3COOH"	136.98208
"1579593"	254.99892	"C08057"	"Cycloserine;D-Cycloserine"	"C3H6N2O2"	"102.0429"	"M+K+CF3COOH"	152.95602
"806680"	876.4521	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M"	0
"983495"	857.43371	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-H2O-H"	-19.01839
"75748"	583.294124	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M-3H"	-3.021828
"515310"	875.444824	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M-3H"	-3.021828
"893477"	291.143424	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-3H"	-3.021828
"14484"	875.444824	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M-2H"	-2.014552
"455642"	1313.670874	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M-2H"	-2.014552
"832723"	437.218774	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-2H"	-2.014552
"94028"	1751.896924	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M-H"	-1.007276
"534000"	2628.349024	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M-H"	-1.007276
"910173"	875.444824	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-H"	-1.007276
"62845"	1768.923471	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M-2H+NH4"	16.019271
"502667"	2645.375571	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M-2H+NH4"	16.019271
"879785"	892.471371	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-2H+NH4"	16.019271
"47032"	1773.878866	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M-2H+Na"	20.974666
"487033"	2650.330966	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M-2H+Na"	20.974666
"864068"	897.426766	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-2H+Na"	20.974666
"1633965"	897.426766	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Na-2H"	20.974666
"109434"	893.433163	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M-H+Cl"	33.962126
"547576"	1331.659213	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M-H+Cl"	33.962126
"942672"	455.207113	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-H+Cl"	33.962126
"279280"	1787.873602	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+Cl"	34.969402
"670610"	2664.325702	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+Cl"	34.969402
"1281917"	911.421502	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Cl"	34.969402
"20100"	1789.852806	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M-2H+K"	36.948606
"459660"	2666.304906	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M-2H+K"	36.948606
"834909"	913.400706	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-2H+K"	36.948606
"1556934"	913.400706	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+K-2H"	36.948606
"943724"	921.450294	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-H+HCOOH"	44.998194
"363770"	1797.902401	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+HCOOH-H"	44.998201
"346558"	1811.918051	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+Hac-H"	59.013851
"1494302"	935.465951	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Hac-H"	59.013851
"958516"	943.432251	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-H+NaCOOH"	66.980151
"110302"	911.421502	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+2Cl"	69.938804
"564535"	1349.647552	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+2Cl"	69.938804
"1031145"	473.195452	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2Cl"	69.938804
"1255098"	955.370985	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Br"	78.918885
"1312079"	957.426972	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Cl+HCOOH"	80.974872
"1325201"	979.408929	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Cl+NaCOOH"	102.956829
"917353"	989.437686	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M-H+CF3COOH"	112.985586
"1290051"	1025.414364	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Cl+CF3COOH"	148.962264
"1368211"	841.439424	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H-2H2O"	-35.012676
"1385343"	859.4494	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H-H2O"	-17.0027
"288309"	1753.911476	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+H"	1.007276
"680733"	2630.363576	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+H"	1.007276
"1357080"	877.459376	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H"	1.007276
"129968"	877.459376	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+2H"	2.014552
"577193"	1315.685426	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+2H"	2.014552
"1045991"	439.233326	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2H"	2.014552
"205019"	585.308676	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+3H"	3.021828
"645547"	877.459376	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+3H"	3.021828
"1163557"	293.157976	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+3H"	3.021828
"425007"	1770.938023	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+NH4"	18.033823
"786730"	2647.390123	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+NH4"	18.033823
"1681966"	894.485923	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+NH4"	18.033823
"345051"	885.9726495	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+H+NH4"	19.041099
"738278"	1324.1986995	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+H+NH4"	19.041099
"1492465"	447.7465995	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H+NH4"	19.041099
"407211"	1775.893418	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+Na"	22.989218
"766019"	2652.345518	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+Na"	22.989218
"1616306"	899.441318	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Na"	22.989218
"327068"	888.450347	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+H+Na"	23.996494
"719123"	1326.676397	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+H+Na"	23.996494
"1467476"	450.224297	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H+Na"	23.996494
"1061815"	300.48529	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2H+Na"	25.00377
"1268597"	909.485586	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+CH3OH+H"	33.033486
"390456"	1791.867358	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+K"	38.963158
"747438"	2668.319458	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+K"	38.963158
"1554843"	915.415258	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+K"	38.963158
"313558"	896.437317	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+H+K"	39.970434
"706467"	1334.663367	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+H+K"	39.970434
"1457652"	458.211267	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H+K"	39.970434
"241515"	1794.938026	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+ACN+H"	42.033826
"1213129"	918.485926	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+ACN+H"	42.033826
"1195188"	459.746601	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+ACN+2H"	43.041102
"190976"	1797.87536	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+2Na-H"	44.97116
"630169"	2674.32746	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+2Na-H"	44.97116
"1132945"	921.42326	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2Na-H"	44.97116
"182800"	899.441318	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+2Na"	45.978436
"613974"	1337.667368	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+2Na"	45.978436
"1126959"	461.215268	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2Na"	45.978436
"1401738"	307.812604	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H+2Na"	46.985712
"1437135"	923.464846	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H+HCOOH"	47.012746
"224642"	904.47434	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+3H2O+2H"	56.04448
"1510881"	937.51689	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+IsoProp+H"	61.06479
"420051"	907.428288	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+Na+K"	61.952376
"776670"	1345.654338	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+Na+K"	61.952376
"1676284"	469.202238	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Na+K"	61.952376
"261718"	1816.919968	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+ACN+Na"	64.015768
"1231143"	940.467868	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+ACN+Na"	64.015768
"1722947"	940.491393	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+NH4+HCOOH"	64.039293
"1188667"	315.139918	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+3Na"	68.967654
"1657467"	945.446788	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Na+HCOOH"	68.994688
"161045"	1829.82324	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+2K-H"	76.91904
"599515"	2706.27534	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+2K-H"	76.91904
"1087309"	953.37114	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2K-H"	76.91904
"147407"	915.415258	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"2M+2K"	77.926316
"589155"	1353.641308	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"3M+2K"	77.926316
"1082177"	477.189208	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2K"	77.926316
"1111254"	955.385692	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2K+H"	78.933592
"1349584"	955.473307	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+DMSO+H"	79.021207
"1020549"	959.512476	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2ACN+H"	83.060376
"1539731"	960.506108	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+IsoProp+Na+H"	84.054008
"1004999"	480.259876	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+2ACN+2H"	84.067652
"1602464"	961.420728	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+K+HCOOH"	84.968628
"1428808"	991.452238	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+H+CF3COOH"	115.000138
"1156664"	500.773151	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+3ACN+2H"	125.094202
"1709496"	1008.478785	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+NH4+CF3COOH"	132.026685
"1647332"	1013.43418	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+Na+CF3COOH"	136.98208
"1579703"	1029.40812	"C08059"	"Rifapentine"	"C47H64N4O12"	"876.4521"	"M+K+CF3COOH"	152.95602
"806790"	167.0735	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M"	0
"983605"	148.05511	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-H2O-H"	-19.01839
"75858"	110.375057333333	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M-3H"	-3.021828
"516513"	166.066224	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M-3H"	-3.021828
"892494"	54.6838906666667	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-3H"	-3.021828
"13623"	166.066224	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M-2H"	-2.014552
"452818"	249.602974	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M-2H"	-2.014552
"830994"	82.529474	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-2H"	-2.014552
"93288"	333.139724	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M-H"	-1.007276
"533909"	500.213224	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M-H"	-1.007276
"909798"	166.066224	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-H"	-1.007276
"62480"	350.166271	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M-2H+NH4"	16.019271
"502408"	517.239771	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M-2H+NH4"	16.019271
"879602"	183.092771	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-2H+NH4"	16.019271
"46527"	355.121666	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M-2H+Na"	20.974666
"485840"	522.195166	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M-2H+Na"	20.974666
"863645"	188.048166	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-2H+Na"	20.974666
"1633177"	188.048166	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Na-2H"	20.974666
"107031"	184.054563	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M-H+Cl"	33.962126
"544040"	267.591313	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M-H+Cl"	33.962126
"941563"	100.517813	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-H+Cl"	33.962126
"280483"	369.116402	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+Cl"	34.969402
"672903"	536.189902	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+Cl"	34.969402
"1282026"	202.042902	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Cl"	34.969402
"23490"	371.095606	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M-2H+K"	36.948606
"465238"	538.169106	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M-2H+K"	36.948606
"839758"	204.022106	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-2H+K"	36.948606
"1557777"	204.022106	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+K-2H"	36.948606
"945295"	212.071694	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-H+HCOOH"	44.998194
"366067"	379.145201	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+HCOOH-H"	44.998201
"347761"	393.160851	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+Hac-H"	59.013851
"1495503"	226.087351	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Hac-H"	59.013851
"959767"	234.053651	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-H+NaCOOH"	66.980151
"111586"	202.042902	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+2Cl"	69.938804
"564645"	285.579652	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+2Cl"	69.938804
"1031254"	118.506152	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2Cl"	69.938804
"1248648"	245.992385	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Br"	78.918885
"1312189"	248.048372	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Cl+HCOOH"	80.974872
"1323124"	270.030329	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Cl+NaCOOH"	102.956829
"917463"	280.059086	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M-H+CF3COOH"	112.985586
"1291983"	316.035764	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Cl+CF3COOH"	148.962264
"1368321"	132.060824	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H-2H2O"	-35.012676
"1384359"	150.0708	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H-H2O"	-17.0027
"284045"	335.154276	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+H"	1.007276
"681936"	502.227776	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+H"	1.007276
"1361563"	168.080776	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H"	1.007276
"135545"	168.080776	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+2H"	2.014552
"577303"	251.617526	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+2H"	2.014552
"1043915"	84.544026	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2H"	2.014552
"204887"	112.389609333333	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+3H"	3.021828
"645173"	168.080776	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+3H"	3.021828
"1164031"	56.6984426666667	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+3H"	3.021828
"425846"	352.180823	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+NH4"	18.033823
"787563"	519.254323	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+NH4"	18.033823
"1684994"	185.107323	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+NH4"	18.033823
"344955"	176.5940495	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+H+NH4"	19.041099
"735550"	260.1307995	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+H+NH4"	19.041099
"1491317"	93.0572995	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H+NH4"	19.041099
"407441"	357.136218	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+Na"	22.989218
"767587"	524.209718	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+Na"	22.989218
"1614585"	190.062718	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Na"	22.989218
"327905"	179.071747	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+H+Na"	23.996494
"720325"	262.608497	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+H+Na"	23.996494
"1471959"	95.534997	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H+Na"	23.996494
"1065204"	64.0257566666667	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2H+Na"	25.00377
"1267977"	200.106986	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+CH3OH+H"	33.033486
"389107"	373.110158	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+K"	38.963158
"745361"	540.183658	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+K"	38.963158
"1554467"	206.036658	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+K"	38.963158
"312860"	187.058717	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+H+K"	39.970434
"705888"	270.595467	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+H+K"	39.970434
"1457763"	103.521967	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H+K"	39.970434
"243811"	376.180826	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+ACN+H"	42.033826
"1214696"	209.107326	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+ACN+H"	42.033826
"1198216"	105.057301	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+ACN+2H"	43.041102
"191088"	379.11816	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+2Na-H"	44.97116
"631740"	546.19166	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+2Na-H"	44.97116
"1135247"	212.04466	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2Na-H"	44.97116
"186557"	190.062718	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+2Na"	45.978436
"623564"	273.599468	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+2Na"	45.978436
"1128163"	106.525968	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2Na"	45.978436
"1404033"	71.3530706666667	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H+2Na"	46.985712
"1436152"	214.086246	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H+HCOOH"	47.012746
"224753"	195.09574	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+3H2O+2H"	56.04448
"1510992"	228.13829	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+IsoProp+H"	61.06479
"416882"	198.049688	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+Na+K"	61.952376
"782246"	281.586438	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+Na+K"	61.952376
"1674208"	114.512938	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Na+K"	61.952376
"262921"	398.162768	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+ACN+Na"	64.015768
"1236357"	231.089268	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+ACN+Na"	64.015768
"1724517"	231.112793	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+NH4+HCOOH"	64.039293
"1188049"	78.6803846666667	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+3Na"	68.967654
"1659399"	236.068188	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Na+HCOOH"	68.994688
"162249"	411.06604	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+2K-H"	76.91904
"603999"	578.13954	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+2K-H"	76.91904
"1087417"	243.99254	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2K-H"	76.91904
"147517"	206.036658	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"2M+2K"	77.926316
"582824"	289.573408	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"3M+2K"	77.926316
"1081435"	122.499908	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2K"	77.926316
"1111364"	246.007092	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2K+H"	78.933592
"1349694"	246.094707	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+DMSO+H"	79.021207
"1018468"	250.133876	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2ACN+H"	83.060376
"1539272"	251.127508	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+IsoProp+Na+H"	84.054008
"1000855"	125.570576	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+2ACN+2H"	84.067652
"1601920"	252.042128	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+K+HCOOH"	84.968628
"1424300"	282.073638	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+H+CF3COOH"	115.000138
"1154587"	146.083851	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+3ACN+2H"	125.094202
"1706326"	299.100185	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+NH4+CF3COOH"	132.026685
"1648535"	304.05558	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+Na+CF3COOH"	136.98208
"1579813"	320.02952	"C08060"	"Carbazole;9H-Carbazole"	"C12H9N"	"167.0735"	"M+K+CF3COOH"	152.95602
"806900"	201.079	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M"	0
"983715"	182.06061	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-H2O-H"	-19.01839
"75968"	133.045390666667	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M-3H"	-3.021828
"516623"	200.071724	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M-3H"	-3.021828
"892241"	66.0190573333333	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-3H"	-3.021828
"14100"	200.071724	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M-2H"	-2.014552
"453902"	300.611224	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M-2H"	-2.014552
"832078"	99.532224	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-2H"	-2.014552
"92548"	401.150724	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M-H"	-1.007276
"534154"	602.229724	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M-H"	-1.007276
"909543"	200.071724	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-H"	-1.007276
"62847"	418.177271	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M-2H+NH4"	16.019271
"502766"	619.256271	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M-2H+NH4"	16.019271
"879663"	217.098271	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-2H+NH4"	16.019271
"46596"	423.132666	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M-2H+Na"	20.974666
"486318"	624.211666	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M-2H+Na"	20.974666
"863027"	222.053666	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-2H+Na"	20.974666
"1630250"	222.053666	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Na-2H"	20.974666
"106777"	218.060063	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M-H+Cl"	33.962126
"548528"	318.599563	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M-H+Cl"	33.962126
"940460"	117.520563	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-H+Cl"	33.962126
"280958"	437.127402	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+Cl"	34.969402
"672649"	638.206402	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+Cl"	34.969402
"1281043"	236.048402	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Cl"	34.969402
"18499"	439.106606	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M-2H+K"	36.948606
"465348"	640.185606	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M-2H+K"	36.948606
"835496"	238.027606	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-2H+K"	36.948606
"1557158"	238.027606	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+K-2H"	36.948606
"944676"	246.077194	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-H+HCOOH"	44.998194
"362888"	447.156201	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+HCOOH-H"	44.998201
"346778"	461.171851	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+Hac-H"	59.013851
"1493914"	260.092851	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Hac-H"	59.013851
"959877"	268.059151	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-H+NaCOOH"	66.980151
"110844"	236.048402	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+2Cl"	69.938804
"564025"	336.587902	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+2Cl"	69.938804
"1030271"	135.508902	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2Cl"	69.938804
"1248758"	279.997885	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Br"	78.918885
"1307925"	282.053872	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Cl+HCOOH"	80.974872
"1323234"	304.035829	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Cl+NaCOOH"	102.956829
"912591"	314.064586	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M-H+CF3COOH"	112.985586
"1291728"	350.041264	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Cl+CF3COOH"	148.962264
"1369157"	166.066324	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H-2H2O"	-35.012676
"1385558"	184.0763	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H-H2O"	-17.0027
"284393"	403.165276	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+H"	1.007276
"676943"	604.244276	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+H"	1.007276
"1358393"	202.086276	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H"	1.007276
"135655"	202.086276	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+2H"	2.014552
"568294"	302.625776	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+2H"	2.014552
"1039648"	101.546776	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2H"	2.014552
"205724"	135.059942666667	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+3H"	3.021828
"647836"	202.086276	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+3H"	3.021828
"1163890"	68.0336093333333	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+3H"	3.021828
"425946"	420.191823	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+NH4"	18.033823
"787310"	621.270823	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+NH4"	18.033823
"1682062"	219.112823	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+NH4"	18.033823
"345066"	210.5995495	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+H+NH4"	19.041099
"737115"	311.1390495	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+H+NH4"	19.041099
"1491304"	110.0600495	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H+NH4"	19.041099
"406703"	425.147218	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+Na"	22.989218
"768059"	626.226218	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+Na"	22.989218
"1610321"	224.068218	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Na"	22.989218
"319265"	213.077247	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+H+Na"	23.996494
"719342"	313.616747	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+H+Na"	23.996494
"1472069"	112.537747	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H+Na"	23.996494
"1064221"	75.3609233333333	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2H+Na"	25.00377
"1268087"	234.112486	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+CH3OH+H"	33.033486
"390674"	441.121158	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+K"	38.963158
"747657"	642.200158	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+K"	38.963158
"1554334"	240.042158	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+K"	38.963158
"311631"	221.064217	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+H+K"	39.970434
"704782"	321.603717	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+H+K"	39.970434
"1458238"	120.524717	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H+K"	39.970434
"243921"	444.191826	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+ACN+H"	42.033826
"1219909"	243.112826	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+ACN+H"	42.033826
"1198325"	122.060051	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+ACN+2H"	43.041102
"196664"	447.12916	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+2Na-H"	44.97116
"632215"	648.20816	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+2Na-H"	44.97116
"1137544"	246.05016	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2Na-H"	44.97116
"186301"	224.068218	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+2Na"	45.978436
"626833"	324.607718	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+2Na"	45.978436
"1128273"	123.528718	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2Na"	45.978436
"1405236"	82.6882373333333	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H+2Na"	46.985712
"1436262"	248.091746	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H+HCOOH"	47.012746
"224498"	229.10124	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+3H2O+2H"	56.04448
"1513288"	262.14379	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+IsoProp+H"	61.06479
"418085"	232.055188	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+Na+K"	61.952376
"781263"	332.594688	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+Na+K"	61.952376
"1675411"	131.515688	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Na+K"	61.952376
"265220"	466.173768	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+ACN+Na"	64.015768
"1232823"	265.094768	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+ACN+Na"	64.015768
"1723533"	265.118293	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+NH4+HCOOH"	64.039293
"1187794"	90.0155513333333	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+3Na"	68.967654
"1654770"	270.073688	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Na+HCOOH"	68.994688
"163089"	479.07704	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+2K-H"	76.91904
"604109"	680.15604	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+2K-H"	76.91904
"1089714"	277.99804	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2K-H"	76.91904
"147627"	240.042158	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"2M+2K"	77.926316
"582568"	340.581658	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"3M+2K"	77.926316
"1081424"	139.502658	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2K"	77.926316
"1112567"	280.012592	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2K+H"	78.933592
"1349925"	280.100207	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+DMSO+H"	79.021207
"1020404"	284.139376	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2ACN+H"	83.060376
"1539779"	285.133008	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+IsoProp+Na+H"	84.054008
"1000965"	142.573326	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+2ACN+2H"	84.067652
"1600936"	286.047628	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+K+HCOOH"	84.968628
"1424410"	316.079138	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+H+CF3COOH"	115.000138
"1153604"	163.086601	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+3ACN+2H"	125.094202
"1706436"	333.105685	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+NH4+CF3COOH"	132.026685
"1646459"	338.06108	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+Na+CF3COOH"	136.98208
"1579923"	354.03502	"C08061"	"2-Aminobiphenyl-23-diol"	"C12H11NO2"	"201.079"	"M+K+CF3COOH"	152.95602
"807010"	233.0688	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M"	0
"983825"	214.05041	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-H2O-H"	-19.01839
"73162"	154.371924	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M-3H"	-3.021828
"518498"	232.061524	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M-3H"	-3.021828
"893806"	76.682324	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-3H"	-3.021828
"15220"	232.061524	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M-2H"	-2.014552
"454982"	348.595924	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M-2H"	-2.014552
"832067"	115.527124	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-2H"	-2.014552
"93912"	465.130324	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M-H"	-1.007276
"533323"	698.199124	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M-H"	-1.007276
"910886"	232.061524	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-H"	-1.007276
"61371"	482.156871	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M-2H+NH4"	16.019271
"500689"	715.225671	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M-2H+NH4"	16.019271
"878978"	249.088071	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-2H+NH4"	16.019271
"45905"	487.112266	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M-2H+Na"	20.974666
"486436"	720.181066	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M-2H+Na"	20.974666
"863507"	254.043466	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-2H+Na"	20.974666
"1633770"	254.043466	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Na-2H"	20.974666
"109610"	250.049863	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M-H+Cl"	33.962126
"549002"	366.584263	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M-H+Cl"	33.962126
"942032"	133.515463	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-H+Cl"	33.962126
"282286"	501.107002	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+Cl"	34.969402
"674218"	734.175802	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+Cl"	34.969402
"1284435"	268.038202	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Cl"	34.969402
"30638"	503.086206	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M-2H+K"	36.948606
"467647"	736.155006	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M-2H+K"	36.948606
"836701"	270.017406	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-2H+K"	36.948606
"1557025"	270.017406	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+K-2H"	36.948606
"943695"	278.066994	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-H+HCOOH"	44.998194
"361909"	511.135801	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+HCOOH-H"	44.998201
"347010"	525.151451	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+Hac-H"	59.013851
"1496819"	292.082651	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Hac-H"	59.013851
"963267"	300.048951	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-H+NaCOOH"	66.980151
"110954"	268.038202	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+2Cl"	69.938804
"560487"	384.572602	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+2Cl"	69.938804
"1030379"	151.503802	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2Cl"	69.938804
"1246679"	311.987685	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Br"	78.918885
"1311314"	314.043672	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Cl+HCOOH"	80.974872
"1325530"	336.025629	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Cl+NaCOOH"	102.956829
"916588"	346.054386	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M-H+CF3COOH"	112.985586
"1289283"	382.031064	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Cl+CF3COOH"	148.962264
"1367928"	198.056124	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H-2H2O"	-35.012676
"1382872"	216.0661	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H-H2O"	-17.0027
"283410"	467.144876	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+H"	1.007276
"678509"	700.213676	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+H"	1.007276
"1356316"	234.076076	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H"	1.007276
"134671"	234.076076	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+2H"	2.014552
"569132"	350.610476	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+2H"	2.014552
"1040118"	117.541676	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2H"	2.014552
"207657"	156.386476	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+3H"	3.021828
"649040"	234.076076	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+3H"	3.021828
"1163757"	78.696876	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+3H"	3.021828
"425692"	484.171423	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+NH4"	18.033823
"786324"	717.240223	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+NH4"	18.033823
"1681685"	251.102623	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+NH4"	18.033823
"344808"	242.5893495	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+H+NH4"	19.041099
"737914"	359.1237495	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+H+NH4"	19.041099
"1492421"	126.0549495	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H+NH4"	19.041099
"408352"	489.126818	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+Na"	22.989218
"769502"	722.195618	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+Na"	22.989218
"1609337"	256.058018	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Na"	22.989218
"320466"	245.067047	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+H+Na"	23.996494
"719452"	361.601447	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+H+Na"	23.996494
"1475464"	128.532647	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H+Na"	23.996494
"1063237"	86.02419	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2H+Na"	25.00377
"1269291"	266.102286	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+CH3OH+H"	33.033486
"392527"	505.100758	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+K"	38.963158
"748860"	738.169558	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+K"	38.963158
"1550913"	272.031958	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+K"	38.963158
"313075"	253.054017	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+H+K"	39.970434
"706678"	369.588417	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+H+K"	39.970434
"1457984"	136.519617	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H+K"	39.970434
"241117"	508.171426	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+ACN+H"	42.033826
"1213096"	275.102626	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+ACN+H"	42.033826
"1199166"	138.054951	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+ACN+2H"	43.041102
"192033"	511.10876	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+2Na-H"	44.97116
"632686"	744.17756	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+2Na-H"	44.97116
"1135098"	278.03996	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2Na-H"	44.97116
"178756"	256.058018	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+2Na"	45.978436
"621596"	372.592418	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+2Na"	45.978436
"1124007"	139.523618	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2Na"	45.978436
"1404252"	93.351504	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H+2Na"	46.985712
"1439646"	280.081546	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H+HCOOH"	47.012746
"222056"	261.09104	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+3H2O+2H"	56.04448
"1512670"	294.13359	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+IsoProp+H"	61.06479
"419288"	264.044988	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+Na+K"	61.952376
"780280"	380.579388	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+Na+K"	61.952376
"1675521"	147.510588	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Na+K"	61.952376
"266065"	530.153368	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+ACN+Na"	64.015768
"1238040"	297.084568	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+ACN+Na"	64.015768
"1726806"	297.108093	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+NH4+HCOOH"	64.039293
"1192280"	100.678818	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+3Na"	68.967654
"1662536"	302.063488	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Na+HCOOH"	68.994688
"166117"	543.05664	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+2K-H"	76.91904
"606770"	776.12544	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+2K-H"	76.91904
"1093104"	309.98784	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2K-H"	76.91904
"152115"	272.031958	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"2M+2K"	77.926316
"590579"	388.566358	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"3M+2K"	77.926316
"1075094"	155.497558	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2K"	77.926316
"1106117"	312.002392	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2K+H"	78.933592
"1344689"	312.090007	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+DMSO+H"	79.021207
"1020515"	316.129176	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2ACN+H"	83.060376
"1539495"	317.122808	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+IsoProp+Na+H"	84.054008
"1004844"	158.568226	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+2ACN+2H"	84.067652
"1601898"	318.037428	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+K+HCOOH"	84.968628
"1424520"	348.068938	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+H+CF3COOH"	115.000138
"1156994"	179.081501	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+3ACN+2H"	125.094202
"1708731"	365.095485	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+NH4+CF3COOH"	132.026685
"1645474"	370.05088	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+Na+CF3COOH"	136.98208
"1580033"	386.02482	"C08062"	"2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-24-dienoate"	"C12H11NO4"	"233.0688"	"M+K+CF3COOH"	152.95602
"807120"	112.0524	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M"	0
"980653"	93.03401	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-H2O-H"	-19.01839
"66709"	73.694324	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M-3H"	-3.021828
"503351"	111.045124	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M-3H"	-3.021828
"888449"	36.343524	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-3H"	-3.021828
"8117"	111.045124	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M-2H"	-2.014552
"448771"	167.071324	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M-2H"	-2.014552
"827666"	55.018924	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-2H"	-2.014552
"89847"	223.097524	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M-H"	-1.007276
"530501"	335.149924	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M-H"	-1.007276
"911238"	111.045124	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-H"	-1.007276
"62414"	240.124071	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M-2H+NH4"	16.019271
"502379"	352.176471	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M-2H+NH4"	16.019271
"879576"	128.071671	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-2H+NH4"	16.019271
"47069"	245.079466	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M-2H+Na"	20.974666
"487049"	357.131866	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M-2H+Na"	20.974666
"864146"	133.027066	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-2H+Na"	20.974666
"1634120"	133.027066	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Na-2H"	20.974666
"109923"	129.033463	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M-H+Cl"	33.962126
"547651"	185.059663	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M-H+Cl"	33.962126
"937885"	73.007263	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-H+Cl"	33.962126
"277536"	259.074202	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+Cl"	34.969402
"669954"	371.126602	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+Cl"	34.969402
"1281264"	147.021802	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Cl"	34.969402
"24917"	261.053406	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M-2H+K"	36.948606
"463383"	373.105806	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M-2H+K"	36.948606
"836811"	149.001006	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-2H+K"	36.948606
"1557741"	149.001006	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+K-2H"	36.948606
"944166"	157.050594	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-H+HCOOH"	44.998194
"362748"	269.103001	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+HCOOH-H"	44.998201
"346999"	283.118651	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+Hac-H"	59.013851
"1496929"	171.066251	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Hac-H"	59.013851
"963377"	179.032551	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-H+NaCOOH"	66.980151
"110823"	147.021802	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+2Cl"	69.938804
"560597"	203.048002	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+2Cl"	69.938804
"1031582"	90.995602	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2Cl"	69.938804
"1246789"	190.971285	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Br"	78.918885
"1311424"	193.027272	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Cl+HCOOH"	80.974872
"1325640"	215.009229	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Cl+NaCOOH"	102.956829
"915968"	225.037986	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M-H+CF3COOH"	112.985586
"1289394"	261.014664	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Cl+CF3COOH"	148.962264
"1367674"	77.039724	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H-2H2O"	-35.012676
"1382917"	95.0497	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H-H2O"	-17.0027
"284374"	225.112076	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+H"	1.007276
"677161"	337.164476	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+H"	1.007276
"1353874"	113.059676	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H"	1.007276
"136968"	113.059676	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+2H"	2.014552
"568514"	169.085876	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+2H"	2.014552
"1039501"	57.033476	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2H"	2.014552
"207038"	75.708876	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+3H"	3.021828
"647326"	113.059676	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+3H"	3.021828
"1163988"	38.358076	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+3H"	3.021828
"426167"	242.138623	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+NH4"	18.033823
"785987"	354.191023	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+NH4"	18.033823
"1682403"	130.086223	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+NH4"	18.033823
"345161"	121.5729495	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+H+NH4"	19.041099
"737336"	177.5991495	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+H+NH4"	19.041099
"1490788"	65.5467495	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H+NH4"	19.041099
"408011"	247.094018	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+Na"	22.989218
"769005"	359.146418	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+Na"	22.989218
"1609447"	135.041618	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Na"	22.989218
"321669"	124.050647	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+H+Na"	23.996494
"712997"	180.076847	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+H+Na"	23.996494
"1472288"	68.024447	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H+Na"	23.996494
"1061161"	45.68539	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2H+Na"	25.00377
"1269036"	145.085886	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+CH3OH+H"	33.033486
"391867"	263.067958	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+K"	38.963158
"748970"	375.120358	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+K"	38.963158
"1551023"	151.015558	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+K"	38.963158
"313670"	132.037617	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+H+K"	39.970434
"706952"	188.063817	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+H+K"	39.970434
"1458458"	76.011417	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H+K"	39.970434
"237583"	266.138626	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+ACN+H"	42.033826
"1213571"	154.086226	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+ACN+H"	42.033826
"1198548"	77.546751	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+ACN+2H"	43.041102
"192509"	269.07596	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+2Na-H"	44.97116
"632797"	381.12836	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+2Na-H"	44.97116
"1135573"	157.02356	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2Na-H"	44.97116
"178866"	135.041618	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+2Na"	45.978436
"620613"	191.067818	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+2Na"	45.978436
"1125210"	79.015418	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2Na"	45.978436
"1406549"	53.012704	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H+2Na"	46.985712
"1439392"	159.065146	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H+HCOOH"	47.012746
"222166"	140.07464	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+3H2O+2H"	56.04448
"1511687"	173.11719	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+IsoProp+H"	61.06479
"418304"	143.028588	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+Na+K"	61.952376
"779296"	199.054788	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+Na+K"	61.952376
"1675626"	87.002388	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Na+K"	61.952376
"262148"	288.120568	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+ACN+Na"	64.015768
"1237054"	176.068168	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+ACN+Na"	64.015768
"1724847"	176.091693	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+NH4+HCOOH"	64.039293
"1189108"	60.340018	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+3Na"	68.967654
"1660093"	181.047088	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Na+HCOOH"	68.994688
"165862"	301.02384	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+2K-H"	76.91904
"607609"	413.07624	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+2K-H"	76.91904
"1088841"	188.97144	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2K-H"	76.91904
"152225"	151.015558	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"2M+2K"	77.926316
"587409"	207.041758	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"3M+2K"	77.926316
"1076297"	94.989358	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2K"	77.926316
"1105133"	190.985992	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2K+H"	78.933592
"1345892"	191.073607	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+DMSO+H"	79.021207
"1020864"	195.112776	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2ACN+H"	83.060376
"1539716"	196.106408	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+IsoProp+Na+H"	84.054008
"1004466"	98.060026	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+2ACN+2H"	84.067652
"1601157"	197.021028	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+K+HCOOH"	84.968628
"1423537"	227.052538	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+H+CF3COOH"	115.000138
"1153824"	118.573301	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+3ACN+2H"	125.094202
"1706655"	244.079085	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+NH4+CF3COOH"	132.026685
"1645584"	249.03448	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+Na+CF3COOH"	136.98208
"1580143"	265.00842	"C08063"	"14-Cyclohexanedione"	"C6H8O2"	"112.0524"	"M+K+CF3COOH"	152.95602
"807230"	594.1585	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M"	0
"980763"	575.14011	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"66819"	395.098390666667	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"503459"	593.151224	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"889652"	197.045557333333	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"11506"	593.151224	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"448880"	890.230474	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"827776"	296.071974	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"89957"	1187.309724	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"531704"	1781.468224	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"911347"	593.151224	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"62073"	1204.336271	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"501272"	1798.494771	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"879436"	610.177771	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"45515"	1209.291666	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"487069"	1803.450166	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"863931"	615.133166	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1633911"	615.133166	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"108932"	611.139563	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"549100"	908.218813	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"940912"	314.060313	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"279833"	1223.286402	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"673344"	1817.444902	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1278094"	629.127902	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"27940"	1225.265606	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"460213"	1819.424106	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"836922"	631.107106	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1556397"	631.107106	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"943184"	639.156694	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"361499"	1233.315201	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"347112"	1247.330851	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1503600"	653.172351	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"963487"	661.138651	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"111175"	629.127902	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"563987"	926.207152	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1031692"	332.048652	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1249086"	673.077385	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1309348"	675.133372	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1326843"	697.115329	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"915714"	707.144086	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1288975"	743.120764	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1367377"	559.145824	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1383460"	577.1558	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"283391"	1189.324276	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"675934"	1783.482776	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1354714"	595.165776	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"129424"	595.165776	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"568623"	892.245026	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1039975"	298.086526	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"206784"	397.112942666667	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"647436"	595.165776	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1164826"	199.060109333333	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"426641"	1206.350823	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"786540"	1800.509323	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1681986"	612.192323	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"344663"	603.6790495	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"737202"	900.7582995	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1489805"	306.5997995	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"402651"	1211.306218	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"761460"	1805.464718	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1607369"	617.147718	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"314487"	606.156747	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"709828"	903.235997	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1472034"	309.077497	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1061271"	206.387423333333	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1268782"	627.191986	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"391369"	1227.280158	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"749080"	1821.438658	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1551133"	633.121658	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"310500"	614.143717	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"705841"	911.222967	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1458934"	317.064467	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"238786"	1230.350826	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1211495"	636.192326	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1198658"	318.599801	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"191526"	1233.28816	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"632543"	1827.44666	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1136049"	639.12966	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"178975"	617.147718	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"625704"	914.226968	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1124226"	320.068468	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1407752"	213.714737333333	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1436586"	641.171246	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"222276"	622.18074	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1512525"	655.22329	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"418414"	625.134688	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"777947"	922.213938	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1673914"	328.055438	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"260071"	1252.332768	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1237165"	658.174268	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1726055"	658.197793	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1192498"	221.042051333333	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1662026"	663.153188	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"170345"	1265.23604	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"607719"	1859.39454	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1090408"	671.07754	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"152335"	633.121658	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"590799"	930.200908	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1075314"	336.042408	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1105243"	673.092092	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1346002"	673.179707	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1020002"	677.218876	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1539853"	678.212508	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"1004212"	339.113076	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1601267"	679.127128	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1423647"	709.158638	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1153934"	359.626351	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1706765"	726.185185	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1646789"	731.14058	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1571626"	747.11452	"C08064"	"Saponarin;Isovitexin-7-O-beta-D-glucopyranoside"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"807340"	410.0178	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M"	0
"984154"	390.99941	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-H2O-H"	-19.01839
"66929"	272.337924	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M-3H"	-3.021828
"503935"	409.010524	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M-3H"	-3.021828
"887576"	135.665324	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-3H"	-3.021828
"9430"	409.010524	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M-2H"	-2.014552
"446804"	614.019424	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M-2H"	-2.014552
"827886"	204.001624	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-2H"	-2.014552
"93475"	819.028324	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M-H"	-1.007276
"533847"	1229.046124	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M-H"	-1.007276
"911168"	409.010524	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-H"	-1.007276
"59996"	836.054871	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M-2H+NH4"	16.019271
"499923"	1246.072671	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M-2H+NH4"	16.019271
"879059"	426.037071	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-2H+NH4"	16.019271
"46110"	841.010266	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M-2H+Na"	20.974666
"486642"	1251.028066	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M-2H+Na"	20.974666
"863348"	430.992466	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-2H+Na"	20.974666
"1633246"	430.992466	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Na-2H"	20.974666
"108557"	426.998863	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M-H+Cl"	33.962126
"546780"	632.007763	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M-H+Cl"	33.962126
"939201"	221.989963	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-H+Cl"	33.962126
"276664"	855.005002	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+Cl"	34.969402
"673454"	1265.022802	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+Cl"	34.969402
"1278204"	444.987202	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Cl"	34.969402
"28414"	856.984206	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M-2H+K"	36.948606
"465789"	1267.002006	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M-2H+K"	36.948606
"837032"	446.966406	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-2H+K"	36.948606
"1557603"	446.966406	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+K-2H"	36.948606
"945122"	455.015994	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-H+HCOOH"	44.998194
"362240"	865.033801	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+HCOOH-H"	44.998201
"346489"	879.049451	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+Hac-H"	59.013851
"1492900"	469.031651	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Hac-H"	59.013851
"958889"	476.997951	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-H+NaCOOH"	66.980151
"111043"	444.987202	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+2Cl"	69.938804
"563001"	649.996102	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+2Cl"	69.938804
"1031802"	239.978302	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2Cl"	69.938804
"1249193"	488.936685	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Br"	78.918885
"1308365"	490.992672	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Cl+HCOOH"	80.974872
"1324767"	512.974629	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Cl+NaCOOH"	102.956829
"918010"	523.003386	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M-H+CF3COOH"	112.985586
"1288885"	558.980064	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Cl+CF3COOH"	148.962264
"1371787"	375.005124	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H-2H2O"	-35.012676
"1383084"	393.0151	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H-H2O"	-17.0027
"284960"	821.042876	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+H"	1.007276
"678111"	1231.060676	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+H"	1.007276
"1354461"	411.025076	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H"	1.007276
"130628"	411.025076	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+2H"	2.014552
"567637"	616.033976	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+2H"	2.014552
"1041907"	206.016176	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2H"	2.014552
"209810"	274.352476	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+3H"	3.021828
"646818"	411.025076	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+3H"	3.021828
"1166398"	137.679876	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+3H"	3.021828
"425658"	838.069423	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+NH4"	18.033823
"788111"	1248.087223	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+NH4"	18.033823
"1682989"	428.051623	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+NH4"	18.033823
"344410"	419.5383495	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+H+NH4"	19.041099
"735369"	624.5472495	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+H+NH4"	19.041099
"1489185"	214.5294495	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H+NH4"	19.041099
"403854"	843.024818	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+Na"	22.989218
"761570"	1253.042618	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+Na"	22.989218
"1608572"	433.007018	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Na"	22.989218
"315690"	422.016047	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+H+Na"	23.996494
"709938"	627.024947	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+H+Na"	23.996494
"1463758"	217.007147	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H+Na"	23.996494
"1054936"	145.00719	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2H+Na"	25.00377
"1259777"	443.051286	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+CH3OH+H"	33.033486
"380536"	858.998758	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+K"	38.963158
"740804"	1269.016558	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+K"	38.963158
"1554161"	448.980958	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+K"	38.963158
"306233"	430.003017	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+H+K"	39.970434
"695376"	635.011917	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+H+K"	39.970434
"1454668"	224.994117	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H+K"	39.970434
"238896"	862.069426	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+ACN+H"	42.033826
"1211602"	452.051626	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+ACN+H"	42.033826
"1196581"	226.529451	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+ACN+2H"	43.041102
"191637"	865.00676	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+2Na-H"	44.97116
"636664"	1275.02456	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+2Na-H"	44.97116
"1142356"	454.98896	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2Na-H"	44.97116
"180179"	433.007018	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+2Na"	45.978436
"623018"	638.015918	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+2Na"	45.978436
"1127618"	227.998118	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2Na"	45.978436
"1407862"	152.334504	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H+2Na"	46.985712
"1438882"	457.030546	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H+HCOOH"	47.012746
"224207"	438.04004	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+3H2O+2H"	56.04448
"1513729"	471.08259	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+IsoProp+H"	61.06479
"419617"	440.993988	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+Na+K"	61.952376
"777329"	646.002888	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+Na+K"	61.952376
"1675846"	235.985088	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Na+K"	61.952376
"261274"	884.051368	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+ACN+Na"	64.015768
"1239101"	474.033568	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+ACN+Na"	64.015768
"1726525"	474.057093	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+NH4+HCOOH"	64.039293
"1191393"	159.661818	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+3Na"	68.967654
"1659219"	479.012488	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Na+HCOOH"	68.994688
"169362"	896.95464	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+2K-H"	76.91904
"602361"	1306.97244	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+2K-H"	76.91904
"1092339"	486.93684	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2K-H"	76.91904
"150253"	448.980958	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"2M+2K"	77.926316
"592003"	653.989858	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"3M+2K"	77.926316
"1075424"	243.972058	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2K"	77.926316
"1109726"	488.951392	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2K+H"	78.933592
"1348298"	489.039007	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+DMSO+H"	79.021207
"1020112"	493.078176	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2ACN+H"	83.060376
"1539828"	494.071808	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+IsoProp+Na+H"	84.054008
"1005051"	247.042726	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+2ACN+2H"	84.067652
"1601376"	494.986428	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+K+HCOOH"	84.968628
"1427038"	525.017938	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+H+CF3COOH"	115.000138
"1156231"	267.556001	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+3ACN+2H"	125.094202
"1707969"	542.044485	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+NH4+CF3COOH"	132.026685
"1647992"	546.99988	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+Na+CF3COOH"	136.98208
"1580363"	562.97382	"C08065"	"Butoconazole"	"C19H17Cl3N2S"	"410.0178"	"M+K+CF3COOH"	152.95602
"802224"	473.0134	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M"	0
"984264"	453.99501	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-H2O-H"	-19.01839
"67039"	314.334990666667	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M-3H"	-3.021828
"503802"	472.006124	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M-3H"	-3.021828
"885499"	156.663857333333	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-3H"	-3.021828
"10635"	472.006124	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M-2H"	-2.014552
"446914"	708.512824	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M-2H"	-2.014552
"831276"	235.499424	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-2H"	-2.014552
"93223"	945.019524	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M-H"	-1.007276
"532788"	1418.032924	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M-H"	-1.007276
"910345"	472.006124	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-H"	-1.007276
"60467"	962.046071	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M-2H+NH4"	16.019271
"500392"	1435.059471	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M-2H+NH4"	16.019271
"876736"	489.032671	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-2H+NH4"	16.019271
"42814"	967.001466	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M-2H+Na"	20.974666
"484924"	1440.014866	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M-2H+Na"	20.974666
"859083"	493.988066	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-2H+Na"	20.974666
"1627521"	493.988066	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Na-2H"	20.974666
"102957"	489.994463	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M-H+Cl"	33.962126
"542515"	726.501163	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M-H+Cl"	33.962126
"937123"	253.487763	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-H+Cl"	33.962126
"280050"	980.996202	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+Cl"	34.969402
"671376"	1454.009602	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+Cl"	34.969402
"1278313"	507.982802	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Cl"	34.969402
"19776"	982.975406	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M-2H+K"	36.948606
"462619"	1455.988806	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M-2H+K"	36.948606
"838235"	509.962006	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-2H+K"	36.948606
"1557351"	509.962006	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+K-2H"	36.948606
"943287"	518.011594	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-H+HCOOH"	44.998194
"361975"	991.025001	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+HCOOH-H"	44.998201
"346711"	1005.040651	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+Hac-H"	59.013851
"1493231"	532.027251	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Hac-H"	59.013851
"959194"	539.993551	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-H+NaCOOH"	66.980151
"111395"	507.982802	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+2Cl"	69.938804
"563111"	744.489502	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+2Cl"	69.938804
"1034102"	271.476102	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2Cl"	69.938804
"1249303"	551.932285	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Br"	78.918885
"1310660"	553.988272	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Cl+HCOOH"	80.974872
"1324877"	575.970229	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Cl+NaCOOH"	102.956829
"914841"	585.998986	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M-H+CF3COOH"	112.985586
"1289602"	621.975664	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Cl+CF3COOH"	148.962264
"1371896"	438.000724	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H-2H2O"	-35.012676
"1384288"	456.0107	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H-H2O"	-17.0027
"286892"	947.034076	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+H"	1.007276
"676637"	1420.047476	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+H"	1.007276
"1351525"	474.020676	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H"	1.007276
"126725"	474.020676	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+2H"	2.014552
"566289"	710.527376	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+2H"	2.014552
"1042748"	237.513976	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2H"	2.014552
"209190"	316.349542666667	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+3H"	3.021828
"648750"	474.020676	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+3H"	3.021828
"1164080"	158.678409333333	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+3H"	3.021828
"425283"	964.060623	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+NH4"	18.033823
"786154"	1437.074023	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+NH4"	18.033823
"1682491"	491.047223	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+NH4"	18.033823
"345006"	482.5339495	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+H+NH4"	19.041099
"735843"	719.0406495	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+H+NH4"	19.041099
"1488566"	246.0272495	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H+NH4"	19.041099
"401778"	969.016018	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+Na"	22.989218
"761680"	1442.029418	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+Na"	22.989218
"1609775"	496.002618	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Na"	22.989218
"315557"	485.011647	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+H+Na"	23.996494
"713327"	721.518347	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+H+Na"	23.996494
"1463868"	248.504947	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H+Na"	23.996494
"1060395"	166.005723333333	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2H+Na"	25.00377
"1267541"	506.046886	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+CH3OH+H"	33.033486
"383928"	984.989958	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+K"	38.963158
"743830"	1458.003358	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+K"	38.963158
"1554639"	511.976558	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+K"	38.963158
"311813"	492.998617	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+H+K"	39.970434
"700953"	729.505317	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+H+K"	39.970434
"1454778"	256.491917	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H+K"	39.970434
"237912"	988.060626	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+ACN+H"	42.033826
"1212804"	515.047226	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+ACN+H"	42.033826
"1198876"	258.027251	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+ACN+2H"	43.041102
"192112"	990.99796	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+2Na-H"	44.97116
"633856"	1464.01136	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+2Na-H"	44.97116
"1141374"	517.98456	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2Na-H"	44.97116
"180290"	496.002618	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+2Na"	45.978436
"623129"	732.509318	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+2Na"	45.978436
"1127728"	259.495918	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2Na"	45.978436
"1407972"	173.333037333333	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H+2Na"	46.985712
"1438992"	520.026146	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H+HCOOH"	47.012746
"224315"	501.03564	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+3H2O+2H"	56.04448
"1514568"	534.07819	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+IsoProp+H"	61.06479
"410608"	503.989588	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+Na+K"	61.952376
"776710"	740.496288	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+Na+K"	61.952376
"1672676"	267.482888	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Na+K"	61.952376
"259197"	1010.042568	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+ACN+Na"	64.015768
"1238112"	537.029168	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+ACN+Na"	64.015768
"1725905"	537.052693	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+NH4+HCOOH"	64.039293
"1187252"	180.660351333333	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+3Na"	68.967654
"1657142"	542.008088	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Na+HCOOH"	68.994688
"162912"	1022.94584	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+2K-H"	76.91904
"605753"	1495.95924	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+2K-H"	76.91904
"1093543"	549.93244	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2K-H"	76.91904
"144896"	511.976558	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"2M+2K"	77.926316
"588834"	748.483258	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"3M+2K"	77.926316
"1081002"	275.469858	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2K"	77.926316
"1108743"	551.946992	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2K+H"	78.933592
"1345128"	552.034607	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+DMSO+H"	79.021207
"1020711"	556.073776	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2ACN+H"	83.060376
"1538961"	557.067408	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+IsoProp+Na+H"	84.054008
"1004435"	278.540526	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+2ACN+2H"	84.067652
"1601122"	557.982028	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+K+HCOOH"	84.968628
"1427148"	588.013538	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+H+CF3COOH"	115.000138
"1158528"	299.053801	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+3ACN+2H"	125.094202
"1708078"	605.040085	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+NH4+CF3COOH"	132.026685
"1648467"	609.99548	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+Na+CF3COOH"	136.98208
"1580473"	625.96942	"C08066"	"Butoconazole nitrate"	"C19H17Cl3N2SHNO3"	"473.0134"	"M+K+CF3COOH"	152.95602
"807560"	317.2144	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M"	0
"984374"	298.19601	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-H2O-H"	-19.01839
"70430"	210.468990666667	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M-3H"	-3.021828
"503792"	316.207124	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M-3H"	-3.021828
"887796"	104.730857333333	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-3H"	-3.021828
"12931"	316.207124	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M-2H"	-2.014552
"447024"	474.814324	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M-2H"	-2.014552
"831265"	157.599924	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-2H"	-2.014552
"93456"	633.421524	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M-H"	-1.007276
"533262"	950.635924	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M-H"	-1.007276
"910942"	316.207124	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-H"	-1.007276
"60942"	650.448071	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M-2H+NH4"	16.019271
"499044"	967.662471	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M-2H+NH4"	16.019271
"876849"	333.233671	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-2H+NH4"	16.019271
"41831"	655.403466	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M-2H+Na"	20.974666
"485641"	972.617866	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M-2H+Na"	20.974666
"860287"	338.189066	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-2H+Na"	20.974666
"1627632"	338.189066	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Na-2H"	20.974666
"105254"	334.195463	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M-H+Cl"	33.962126
"543720"	492.802663	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M-H+Cl"	33.962126
"938692"	175.588263	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-H+Cl"	33.962126
"281013"	669.398202	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+Cl"	34.969402
"671486"	986.612602	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+Cl"	34.969402
"1281703"	352.183802	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Cl"	34.969402
"19886"	671.377406	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M-2H+K"	36.948606
"466008"	988.591806	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M-2H+K"	36.948606
"836158"	354.163006	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-2H+K"	36.948606
"1557823"	354.163006	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+K-2H"	36.948606
"946435"	362.212594	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-H+HCOOH"	44.998194
"362449"	679.427001	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+HCOOH-H"	44.998201
"346943"	693.442651	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+Hac-H"	59.013851
"1493219"	376.228251	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Hac-H"	59.013851
"958981"	384.194551	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-H+NaCOOH"	66.980151
"111993"	352.183802	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+2Cl"	69.938804
"563221"	510.791002	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+2Cl"	69.938804
"1036278"	193.576602	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2Cl"	69.938804
"1249413"	396.133285	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Br"	78.918885
"1311863"	398.189272	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Cl+HCOOH"	80.974872
"1328267"	420.171229	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Cl+NaCOOH"	102.956829
"916046"	430.199986	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M-H+CF3COOH"	112.985586
"1292752"	466.176664	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Cl+CF3COOH"	148.962264
"1370913"	282.201724	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H-2H2O"	-35.012676
"1384399"	300.2117	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H-H2O"	-17.0027
"287002"	635.436076	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+H"	1.007276
"676014"	952.650476	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+H"	1.007276
"1351880"	318.221676	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H"	1.007276
"126105"	318.221676	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+2H"	2.014552
"571506"	476.828876	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+2H"	2.014552
"1044682"	159.614476	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2H"	2.014552
"211491"	212.483542666667	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+3H"	3.021828
"647404"	318.221676	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+3H"	3.021828
"1164435"	106.745409333333	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+3H"	3.021828
"425396"	652.462623	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+NH4"	18.033823
"787241"	969.677023	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+NH4"	18.033823
"1683209"	335.248223	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+NH4"	18.033823
"345589"	326.7349495	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+H+NH4"	19.041099
"737409"	485.3421495	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+H+NH4"	19.041099
"1488676"	168.1277495	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H+NH4"	19.041099
"401888"	657.418018	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+Na"	22.989218
"761790"	974.632418	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+Na"	22.989218
"1609887"	340.203618	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Na"	22.989218
"321016"	329.212647	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+H+Na"	23.996494
"715626"	487.819847	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+H+Na"	23.996494
"1467259"	170.605447	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H+Na"	23.996494
"1061598"	114.072723333333	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2H+Na"	25.00377
"1268744"	350.247886	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+CH3OH+H"	33.033486
"382945"	673.391958	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+K"	38.963158
"743940"	990.606358	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+K"	38.963158
"1554383"	356.177558	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+K"	38.963158
"311923"	337.199617	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+H+K"	39.970434
"704344"	495.806817	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+H+K"	39.970434
"1452702"	178.592417	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H+K"	39.970434
"240210"	676.462626	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+ACN+H"	42.033826
"1217288"	359.248226	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+ACN+H"	42.033826
"1200078"	180.127751	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+ACN+2H"	43.041102
"191126"	679.39996	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+2Na-H"	44.97116
"633603"	996.61436	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+2Na-H"	44.97116
"1143671"	362.18556	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2Na-H"	44.97116
"183680"	340.203618	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+2Na"	45.978436
"623967"	498.810818	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+2Na"	45.978436
"1128567"	181.596418	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2Na"	45.978436
"1409175"	121.400037333333	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H+2Na"	46.985712
"1439102"	364.227146	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H+HCOOH"	47.012746
"226610"	345.23664	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+3H2O+2H"	56.04448
"1513585"	378.27919	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+IsoProp+H"	61.06479
"410354"	348.190588	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+Na+K"	61.952376
"777549"	506.797788	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+Na+K"	61.952376
"1673150"	189.583388	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Na+K"	61.952376
"259306"	698.444568	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+ACN+Na"	64.015768
"1237129"	381.230168	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+ACN+Na"	64.015768
"1724922"	381.253693	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+NH4+HCOOH"	64.039293
"1189549"	128.727351333333	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+3Na"	68.967654
"1661629"	386.209088	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Na+HCOOH"	68.994688
"170554"	711.34784	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+2K-H"	76.91904
"605864"	1028.56224	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+2K-H"	76.91904
"1089280"	394.13344	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2K-H"	76.91904
"143913"	356.177558	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"2M+2K"	77.926316
"590037"	514.784758	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"3M+2K"	77.926316
"1081112"	197.570358	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2K"	77.926316
"1112133"	396.147992	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2K+H"	78.933592
"1345238"	396.235607	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+DMSO+H"	79.021207
"1021186"	400.274776	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2ACN+H"	83.060376
"1538463"	401.268408	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+IsoProp+Na+H"	84.054008
"1005152"	200.641026	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+2ACN+2H"	84.067652
"1601475"	402.183028	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+K+HCOOH"	84.968628
"1426165"	432.214538	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+H+CF3COOH"	115.000138
"1157544"	221.154301	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+3ACN+2H"	125.094202
"1710375"	449.241085	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+NH4+CF3COOH"	132.026685
"1646025"	454.19648	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+Na+CF3COOH"	136.98208
"1580583"	470.17042	"C08067"	"Butenafine"	"C23H27N"	"317.2144"	"M+K+CF3COOH"	152.95602
"803294"	380.025	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M"	0
"984484"	361.00661	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-H2O-H"	-19.01839
"70540"	252.342724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M-3H"	-3.021828
"504144"	379.017724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M-3H"	-3.021828
"885719"	125.667724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-3H"	-3.021828
"10853"	379.017724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M-2H"	-2.014552
"447134"	569.030224	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M-2H"	-2.014552
"828216"	189.005224	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-2H"	-2.014552
"93687"	759.042724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M-H"	-1.007276
"533855"	1139.067724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M-H"	-1.007276
"910320"	379.017724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-H"	-1.007276
"62023"	776.069271	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M-2H+NH4"	16.019271
"499520"	1156.094271	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M-2H+NH4"	16.019271
"877688"	396.044271	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-2H+NH4"	16.019271
"45220"	781.024666	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M-2H+Na"	20.974666
"485751"	1161.049666	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M-2H+Na"	20.974666
"861489"	400.999666	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-2H+Na"	20.974666
"1631023"	400.999666	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Na-2H"	20.974666
"105363"	397.006063	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M-H+Cl"	33.962126
"544922"	587.018563	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M-H+Cl"	33.962126
"938438"	206.993563	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-H+Cl"	33.962126
"280637"	795.019402	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+Cl"	34.969402
"673420"	1175.044402	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+Cl"	34.969402
"1284000"	414.994402	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Cl"	34.969402
"22183"	796.998606	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M-2H+K"	36.948606
"468306"	1177.023606	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M-2H+K"	36.948606
"842826"	416.973606	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-2H+K"	36.948606
"1560850"	416.973606	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+K-2H"	36.948606
"949825"	425.023194	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-H+HCOOH"	44.998194
"363668"	805.048201	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+HCOOH-H"	44.998201
"350831"	819.063851	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+Hac-H"	59.013851
"1492783"	439.038851	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Hac-H"	59.013851
"959668"	447.005151	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-H+NaCOOH"	66.980151
"111616"	414.994402	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+2Cl"	69.938804
"563331"	605.006902	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+2Cl"	69.938804
"1036387"	224.981902	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2Cl"	69.938804
"1256084"	458.943885	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Br"	78.918885
"1310880"	460.999872	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Cl+HCOOH"	80.974872
"1329471"	482.981829	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Cl+NaCOOH"	102.956829
"920533"	493.010586	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M-H+CF3COOH"	112.985586
"1296146"	528.987264	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Cl+CF3COOH"	148.962264
"1375400"	345.012324	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H-2H2O"	-35.012676
"1389614"	363.0223	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H-H2O"	-17.0027
"291487"	761.057276	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+H"	1.007276
"679897"	1141.082276	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+H"	1.007276
"1353694"	381.032276	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H"	1.007276
"128407"	381.032276	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+2H"	2.014552
"572711"	571.044776	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+2H"	2.014552
"1049167"	191.019776	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2H"	2.014552
"214882"	254.357276	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+3H"	3.021828
"647882"	381.032276	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+3H"	3.021828
"1163448"	127.682276	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+3H"	3.021828
"424777"	778.083823	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+NH4"	18.033823
"786985"	1158.108823	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+NH4"	18.033823
"1683319"	398.058823	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+NH4"	18.033823
"331958"	389.5455495	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+H+NH4"	19.041099
"732776"	579.5580495	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+H+NH4"	19.041099
"1492274"	199.5330495	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H+NH4"	19.041099
"408038"	783.039218	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+Na"	22.989218
"767368"	1163.064218	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+Na"	22.989218
"1616806"	403.014218	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Na"	22.989218
"329233"	392.023247	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+H+Na"	23.996494
"715738"	582.035747	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+H+Na"	23.996494
"1471745"	202.010747	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H+Na"	23.996494
"1064988"	135.00959	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2H+Na"	25.00377
"1267759"	413.058486	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+CH3OH+H"	33.033486
"385241"	799.013158	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+K"	38.963158
"746238"	1179.038158	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+K"	38.963158
"1555306"	418.988158	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+K"	38.963158
"312394"	400.010217	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+H+K"	39.970434
"706525"	590.022717	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+H+K"	39.970434
"1457186"	209.997717	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H+K"	39.970434
"243600"	802.083826	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+ACN+H"	42.033826
"1218491"	422.058826	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+ACN+H"	42.033826
"1201281"	211.533051	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+ACN+2H"	43.041102
"194154"	805.02116	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+2Na-H"	44.97116
"635902"	1185.04616	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+2Na-H"	44.97116
"1146796"	424.99616	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2Na-H"	44.97116
"181603"	403.014218	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+2Na"	45.978436
"622621"	593.026718	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+2Na"	45.978436
"1125761"	213.001718	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2Na"	45.978436
"1411473"	142.336904	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H+2Na"	46.985712
"1442130"	427.037746	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H+HCOOH"	47.012746
"227815"	408.04724	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+3H2O+2H"	56.04448
"1515882"	441.08979	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+IsoProp+H"	61.06479
"410828"	411.001188	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+Na+K"	61.952376
"783128"	601.013688	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+Na+K"	61.952376
"1673260"	220.988688	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Na+K"	61.952376
"259416"	824.065768	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+ACN+Na"	64.015768
"1239427"	444.040768	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+ACN+Na"	64.015768
"1725399"	444.064293	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+NH4+HCOOH"	64.039293
"1188566"	149.664218	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+3Na"	68.967654
"1660647"	449.019688	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Na+HCOOH"	68.994688
"172619"	836.96904	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+2K-H"	76.91904
"601602"	1216.99404	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+2K-H"	76.91904
"1094858"	456.94404	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2K-H"	76.91904
"148399"	418.988158	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"2M+2K"	77.926316
"592334"	609.000658	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"3M+2K"	77.926316
"1082315"	228.975658	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2K"	77.926316
"1106776"	458.958592	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2K+H"	78.933592
"1345348"	459.046207	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+DMSO+H"	79.021207
"1020693"	463.085376	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2ACN+H"	83.060376
"1536386"	464.079008	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+IsoProp+Na+H"	84.054008
"1003559"	232.046326	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+2ACN+2H"	84.067652
"1596238"	464.993628	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+K+HCOOH"	84.968628
"1427364"	495.025138	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+H+CF3COOH"	115.000138
"1160933"	252.559601	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+3ACN+2H"	125.094202
"1709392"	512.051685	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+NH4+CF3COOH"	132.026685
"1646135"	517.00708	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+Na+CF3COOH"	136.98208
"1580693"	532.98102	"C08068"	"Econazole"	"C18H15Cl3N2O"	"380.025"	"M+K+CF3COOH"	152.95602
"807780"	443.0206	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M"	0
"988242"	424.00221	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-H2O-H"	-19.01839
"73930"	294.339790666667	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M-3H"	-3.021828
"509116"	442.013324	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M-3H"	-3.021828
"891296"	146.666257333333	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-3H"	-3.021828
"7683"	442.013324	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M-2H"	-2.014552
"447244"	663.523624	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M-2H"	-2.014552
"825046"	220.503024	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-2H"	-2.014552
"93548"	885.033924	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M-H"	-1.007276
"534172"	1328.054524	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M-H"	-1.007276
"911039"	442.013324	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-H"	-1.007276
"62584"	902.060471	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M-2H+NH4"	16.019271
"501577"	1345.081071	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M-2H+NH4"	16.019271
"879499"	459.039871	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-2H+NH4"	16.019271
"46186"	907.015866	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M-2H+Na"	20.974666
"485988"	1350.036466	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M-2H+Na"	20.974666
"863425"	463.995266	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-2H+Na"	20.974666
"1633320"	463.995266	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Na-2H"	20.974666
"109524"	460.001663	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M-H+Cl"	33.962126
"548312"	681.511963	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M-H+Cl"	33.962126
"942517"	238.491363	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-H+Cl"	33.962126
"281355"	921.010602	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+Cl"	34.969402
"673894"	1364.031202	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+Cl"	34.969402
"1284110"	477.990002	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Cl"	34.969402
"22293"	922.989806	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M-2H+K"	36.948606
"468416"	1366.010406	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M-2H+K"	36.948606
"842936"	479.969206	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-2H+K"	36.948606
"1564240"	479.969206	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+K-2H"	36.948606
"949935"	488.018794	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-H+HCOOH"	44.998194
"365965"	931.039401	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+HCOOH-H"	44.998201
"350941"	945.055051	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+Hac-H"	59.013851
"1493819"	502.034451	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Hac-H"	59.013851
"960753"	510.000751	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-H+NaCOOH"	66.980151
"111726"	477.990002	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+2Cl"	69.938804
"562713"	699.500302	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+2Cl"	69.938804
"1035524"	256.479702	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2Cl"	69.938804
"1254737"	521.939485	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Br"	78.918885
"1310990"	523.995472	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Cl+HCOOH"	80.974872
"1331768"	545.977429	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Cl+NaCOOH"	102.956829
"924654"	556.006186	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M-H+CF3COOH"	112.985586
"1299536"	591.982864	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Cl+CF3COOH"	148.962264
"1375510"	408.007924	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H-2H2O"	-35.012676
"1390817"	426.0179	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H-H2O"	-17.0027
"289411"	887.048476	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+H"	1.007276
"676727"	1330.069076	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+H"	1.007276
"1351342"	444.027876	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H"	1.007276
"126082"	444.027876	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+2H"	2.014552
"572821"	665.538176	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+2H"	2.014552
"1050372"	222.517576	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2H"	2.014552
"217908"	296.354342666667	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+3H"	3.021828
"654552"	444.027876	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+3H"	3.021828
"1169396"	148.680809333333	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+3H"	3.021828
"425375"	904.075023	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+NH4"	18.033823
"786734"	1347.095623	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+NH4"	18.033823
"1682333"	461.054423	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+NH4"	18.033823
"330613"	452.5411495	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+H+NH4"	19.041099
"735076"	674.0514495	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+H+NH4"	19.041099
"1491816"	231.0308495	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H+NH4"	19.041099
"407826"	909.030418	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+Na"	22.989218
"768209"	1352.051018	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+Na"	22.989218
"1616673"	466.009818	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Na"	22.989218
"329505"	455.018847	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+H+Na"	23.996494
"718401"	676.529147	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+H+Na"	23.996494
"1470763"	233.508547	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H+Na"	23.996494
"1064006"	156.008123333333	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2H+Na"	25.00377
"1267505"	476.054086	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+CH3OH+H"	33.033486
"386444"	925.004358	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+K"	38.963158
"744161"	1368.024958	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+K"	38.963158
"1554603"	481.983758	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+K"	38.963158
"311411"	463.005817	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+H+K"	39.970434
"706596"	684.516117	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+H+K"	39.970434
"1460577"	241.495517	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H+K"	39.970434
"246991"	928.075026	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+ACN+H"	42.033826
"1214594"	485.054426	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+ACN+H"	42.033826
"1200298"	243.030851	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+ACN+2H"	43.041102
"194264"	931.01236	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+2Na-H"	44.97116
"633826"	1374.03296	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+2Na-H"	44.97116
"1146772"	487.99176	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2Na-H"	44.97116
"181713"	466.009818	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+2Na"	45.978436
"621274"	687.520118	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+2Na"	45.978436
"1125871"	244.499518	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2Na"	45.978436
"1408303"	163.335437333333	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H+2Na"	46.985712
"1441511"	490.033346	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H+HCOOH"	47.012746
"226832"	471.04284	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+3H2O+2H"	56.04448
"1513806"	504.08539	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+IsoProp+H"	61.06479
"410574"	473.996788	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+Na+K"	61.952376
"783238"	695.507088	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+Na+K"	61.952376
"1673006"	252.486488	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Na+K"	61.952376
"257340"	950.056968	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+ACN+Na"	64.015768
"1240630"	507.036368	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+ACN+Na"	64.015768
"1728222"	507.059893	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+NH4+HCOOH"	64.039293
"1194112"	170.662751333333	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+3Na"	68.967654
"1665507"	512.015288	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Na+HCOOH"	68.994688
"172573"	962.96024	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+2K-H"	76.91904
"607179"	1405.98084	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+2K-H"	76.91904
"1097154"	519.93964	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2K-H"	76.91904
"149602"	481.983758	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"2M+2K"	77.926316
"589164"	703.494058	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"3M+2K"	77.926316
"1083035"	260.473458	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2K"	77.926316
"1113448"	521.954192	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2K+H"	78.933592
"1348738"	522.041807	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+DMSO+H"	79.021207
"1020927"	526.080976	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2ACN+H"	83.060376
"1539291"	527.074608	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+IsoProp+Na+H"	84.054008
"1004400"	263.544126	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+2ACN+2H"	84.067652
"1599629"	527.989228	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+K+HCOOH"	84.968628
"1428567"	558.020738	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+H+CF3COOH"	115.000138
"1161408"	284.057401	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+3ACN+2H"	125.094202
"1711325"	575.047285	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+NH4+CF3COOH"	132.026685
"1646245"	580.00268	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+Na+CF3COOH"	136.98208
"1580803"	595.97662	"C08069"	"Econazole nitrate"	"C18H15Cl3N2OHNO3"	"443.0206"	"M+K+CF3COOH"	152.95602
"807890"	476.9817	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M"	0
"984705"	457.96331	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-H2O-H"	-19.01839
"70760"	316.980524	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M-3H"	-3.021828
"509226"	475.974424	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M-3H"	-3.021828
"882655"	157.986624	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-3H"	-3.021828
"6699"	475.974424	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M-2H"	-2.014552
"445164"	714.465274	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M-2H"	-2.014552
"820779"	237.483574	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-2H"	-2.014552
"84051"	952.956124	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M-H"	-1.007276
"532615"	1429.937824	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M-H"	-1.007276
"908593"	475.974424	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-H"	-1.007276
"61025"	969.982671	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M-2H+NH4"	16.019271
"502255"	1446.964371	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M-2H+NH4"	16.019271
"879117"	493.000971	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-2H+NH4"	16.019271
"47067"	974.938066	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M-2H+Na"	20.974666
"486790"	1451.919766	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M-2H+Na"	20.974666
"863982"	497.956366	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-2H+Na"	20.974666
"1632337"	497.956366	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Na-2H"	20.974666
"109513"	493.962763	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M-H+Cl"	33.962126
"549153"	732.453613	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M-H+Cl"	33.962126
"940478"	255.471913	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-H+Cl"	33.962126
"280856"	988.932802	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+Cl"	34.969402
"674612"	1465.914502	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+Cl"	34.969402
"1284220"	511.951102	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Cl"	34.969402
"19123"	990.912006	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M-2H+K"	36.948606
"469619"	1467.893706	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M-2H+K"	36.948606
"843046"	513.930306	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-2H+K"	36.948606
"1564350"	513.930306	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+K-2H"	36.948606
"948952"	521.979894	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-H+HCOOH"	44.998194
"367168"	998.961601	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+HCOOH-H"	44.998201
"348864"	1012.977251	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+Hac-H"	59.013851
"1493687"	535.995551	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Hac-H"	59.013851
"960863"	543.961851	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-H+NaCOOH"	66.980151
"110733"	511.951102	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+2Cl"	69.938804
"562459"	750.441952	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+2Cl"	69.938804
"1036363"	273.460252	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2Cl"	69.938804
"1255211"	555.900585	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Br"	78.918885
"1311100"	557.956572	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Cl+HCOOH"	80.974872
"1331878"	579.938529	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Cl+NaCOOH"	102.956829
"919656"	589.967286	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M-H+CF3COOH"	112.985586
"1298553"	625.943964	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Cl+CF3COOH"	148.962264
"1375620"	441.969024	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H-2H2O"	-35.012676
"1388741"	459.979	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H-H2O"	-17.0027
"287334"	954.970676	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+H"	1.007276
"677568"	1431.952376	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+H"	1.007276
"1351399"	477.988976	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H"	1.007276
"125831"	477.988976	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+2H"	2.014552
"574024"	716.479826	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+2H"	2.014552
"1041730"	239.498126	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2H"	2.014552
"215101"	318.995076	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+3H"	3.021828
"655755"	477.988976	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+3H"	3.021828
"1168413"	160.001176	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+3H"	3.021828
"426214"	971.997223	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+NH4"	18.033823
"787575"	1448.978923	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+NH4"	18.033823
"1683172"	495.015523	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+NH4"	18.033823
"331086"	486.5022495	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+H+NH4"	19.041099
"734457"	724.9930995	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+H+NH4"	19.041099
"1490101"	248.0113995	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H+NH4"	19.041099
"407572"	976.952618	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+Na"	22.989218
"769047"	1453.934318	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+Na"	22.989218
"1617147"	499.970918	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Na"	22.989218
"324630"	488.979947	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+H+Na"	23.996494
"717053"	727.470797	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+H+Na"	23.996494
"1471601"	250.489097	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H+Na"	23.996494
"1064115"	167.32849	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2H+Na"	25.00377
"1267979"	510.015186	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+CH3OH+H"	33.033486
"385461"	992.926558	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+K"	38.963158
"746457"	1469.908258	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+K"	38.963158
"1553131"	515.944858	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+K"	38.963158
"310062"	496.966917	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+H+K"	39.970434
"705773"	735.457767	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+H+K"	39.970434
"1458868"	258.476067	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H+K"	39.970434
"247101"	995.997226	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+ACN+H"	42.033826
"1215797"	519.015526	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+ACN+H"	42.033826
"1200408"	260.011401	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+ACN+2H"	43.041102
"195468"	998.93456	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+2Na-H"	44.97116
"636122"	1475.91626	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+2Na-H"	44.97116
"1146558"	521.95286	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2Na-H"	44.97116
"181823"	499.970918	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+2Na"	45.978436
"623570"	738.461768	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+2Na"	45.978436
"1127075"	261.480068	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2Na"	45.978436
"1410965"	174.655804	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H+2Na"	46.985712
"1443443"	523.994446	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H+HCOOH"	47.012746
"228035"	505.00394	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+3H2O+2H"	56.04448
"1511364"	538.04649	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+IsoProp+H"	61.06479
"410319"	507.957888	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+Na+K"	61.952376
"770706"	746.448738	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+Na+K"	61.952376
"1669836"	269.467038	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Na+K"	61.952376
"257450"	1017.979168	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+ACN+Na"	64.015768
"1241308"	540.997468	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+ACN+Na"	64.015768
"1727683"	541.020993	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+NH4+HCOOH"	64.039293
"1193776"	181.983118	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+3Na"	68.967654
"1665122"	545.976388	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Na+HCOOH"	68.994688
"172759"	1030.88244	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+2K-H"	76.91904
"610569"	1507.86414	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+2K-H"	76.91904
"1097264"	553.90074	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2K-H"	76.91904
"151899"	515.944858	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"2M+2K"	77.926316
"592554"	754.435708	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"3M+2K"	77.926316
"1082536"	277.454008	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2K"	77.926316
"1114652"	555.915292	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2K+H"	78.933592
"1347755"	556.002907	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+DMSO+H"	79.021207
"1021297"	560.042076	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2ACN+H"	83.060376
"1539689"	561.035708	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+IsoProp+Na+H"	84.054008
"1005118"	280.524676	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+2ACN+2H"	84.067652
"1599739"	561.950328	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+K+HCOOH"	84.968628
"1429649"	591.981838	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+H+CF3COOH"	115.000138
"1161154"	301.037951	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+3ACN+2H"	125.094202
"1711435"	609.008385	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+NH4+CF3COOH"	132.026685
"1649271"	613.96378	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+Na+CF3COOH"	136.98208
"1580913"	629.93772	"C08070"	"Miconazole nitrate"	"C18H14Cl4N2OHNO3"	"476.9817"	"M+K+CF3COOH"	152.95602
"808000"	287.1674	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M"	0
"984815"	268.14901	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-H2O-H"	-19.01839
"70870"	190.437657333333	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M-3H"	-3.021828
"509336"	286.160124	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M-3H"	-3.021828
"882765"	94.7151906666667	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-3H"	-3.021828
"7901"	286.160124	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M-2H"	-2.014552
"441994"	429.743824	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M-2H"	-2.014552
"821982"	142.576424	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-2H"	-2.014552
"86347"	573.327524	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M-H"	-1.007276
"533693"	860.494924	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M-H"	-1.007276
"905901"	286.160124	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-H"	-1.007276
"60886"	590.354071	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M-2H+NH4"	16.019271
"501787"	877.521471	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M-2H+NH4"	16.019271
"879906"	303.186671	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-2H+NH4"	16.019271
"46277"	595.309466	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M-2H+Na"	20.974666
"485721"	882.476866	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M-2H+Na"	20.974666
"863767"	308.142066	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-2H+Na"	20.974666
"1633905"	308.142066	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Na-2H"	20.974666
"109908"	304.148463	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M-H+Cl"	33.962126
"548533"	447.732163	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M-H+Cl"	33.962126
"942289"	160.564763	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-H+Cl"	33.962126
"281088"	609.304202	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+Cl"	34.969402
"673871"	896.471602	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+Cl"	34.969402
"1284330"	322.136802	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Cl"	34.969402
"22513"	611.283406	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M-2H+K"	36.948606
"469729"	898.450806	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M-2H+K"	36.948606
"844249"	324.116006	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-2H+K"	36.948606
"1557897"	324.116006	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+K-2H"	36.948606
"949062"	332.165594	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-H+HCOOH"	44.998194
"361450"	619.333001	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+HCOOH-H"	44.998201
"348974"	633.348651	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+Hac-H"	59.013851
"1497078"	346.181251	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Hac-H"	59.013851
"958777"	354.147551	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-H+NaCOOH"	66.980151
"110600"	322.136802	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+2Cl"	69.938804
"563297"	465.720502	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+2Cl"	69.938804
"1036109"	178.553102	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2Cl"	69.938804
"1254593"	366.086285	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Br"	78.918885
"1313398"	368.142272	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Cl+HCOOH"	80.974872
"1329802"	390.124229	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Cl+NaCOOH"	102.956829
"918673"	400.152986	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M-H+CF3COOH"	112.985586
"1293194"	436.129664	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Cl+CF3COOH"	148.962264
"1378647"	252.154724	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H-2H2O"	-35.012676
"1392132"	270.1647	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H-H2O"	-17.0027
"290725"	575.342076	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+H"	1.007276
"675781"	862.509476	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+H"	1.007276
"1351710"	288.174676	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H"	1.007276
"129103"	288.174676	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+2H"	2.014552
"574134"	431.758376	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+2H"	2.014552
"1041111"	144.590976	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2H"	2.014552
"214118"	192.452209333333	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+3H"	3.021828
"649305"	288.174676	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+3H"	3.021828
"1168523"	96.7297426666667	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+3H"	3.021828
"427418"	592.368623	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+NH4"	18.033823
"788048"	879.536023	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+NH4"	18.033823
"1681820"	305.201223	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+NH4"	18.033823
"330585"	296.6879495	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+H+NH4"	19.041099
"732014"	440.2716495	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+H+NH4"	19.041099
"1489116"	153.1042495	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H+NH4"	19.041099
"407928"	597.324018	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+Na"	22.989218
"766605"	884.491418	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+Na"	22.989218
"1617257"	310.156618	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Na"	22.989218
"325833"	299.165647	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+H+Na"	23.996494
"717892"	442.749347	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+H+Na"	23.996494
"1471711"	155.581947	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H+Na"	23.996494
"1062769"	104.057056666667	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2H+Na"	25.00377
"1266997"	320.200886	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+CH3OH+H"	33.033486
"387759"	613.297958	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+K"	38.963158
"746568"	900.465358	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+K"	38.963158
"1552998"	326.130558	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+K"	38.963158
"310903"	307.152617	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+H+K"	39.970434
"706489"	450.736317	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+H+K"	39.970434
"1460072"	163.568917	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H+K"	39.970434
"243931"	616.368626	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+ACN+H"	42.033826
"1216636"	329.201226	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+ACN+H"	42.033826
"1202705"	165.104251	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+ACN+2H"	43.041102
"196671"	619.30596	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+2Na-H"	44.97116
"637324"	906.47336	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+2Na-H"	44.97116
"1146671"	332.13856	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2Na-H"	44.97116
"184119"	310.156618	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+2Na"	45.978436
"624410"	453.740318	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+2Na"	45.978436
"1127185"	166.572918	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2Na"	45.978436
"1409616"	111.384370666667	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H+2Na"	46.985712
"1443554"	334.180146	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H+HCOOH"	47.012746
"229239"	315.18964	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+3H2O+2H"	56.04448
"1512932"	348.23219	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+IsoProp+H"	61.06479
"411522"	318.143588	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+Na+K"	61.952376
"772152"	461.727288	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+Na+K"	61.952376
"1671403"	174.559888	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Na+K"	61.952376
"257924"	638.350568	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+ACN+Na"	64.015768
"1241254"	351.183168	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+ACN+Na"	64.015768
"1727551"	351.206693	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+NH4+HCOOH"	64.039293
"1192915"	118.711684666667	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+3Na"	68.967654
"1664872"	356.162088	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Na+HCOOH"	68.994688
"172748"	651.25384	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+2K-H"	76.91904
"612710"	938.42124	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+2K-H"	76.91904
"1097984"	364.08644	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2K-H"	76.91904
"152009"	326.130558	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"2M+2K"	77.926316
"596555"	469.714258	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"3M+2K"	77.926316
"1080457"	182.546858	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2K"	77.926316
"1115372"	366.100992	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2K+H"	78.933592
"1342397"	366.188607	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+DMSO+H"	79.021207
"1021265"	370.227776	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2ACN+H"	83.060376
"1539511"	371.221408	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+IsoProp+Na+H"	84.054008
"1003769"	185.617526	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+2ACN+2H"	84.067652
"1601794"	372.136028	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+K+HCOOH"	84.968628
"1429643"	402.167538	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+H+CF3COOH"	115.000138
"1157981"	206.130801	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+3ACN+2H"	125.094202
"1712153"	419.194085	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+NH4+CF3COOH"	132.026685
"1640997"	424.14948	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+Na+CF3COOH"	136.98208
"1581023"	440.12342	"C08071"	"Naftifine"	"C21H21N"	"287.1674"	"M+K+CF3COOH"	152.95602
"808110"	323.1441	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M"	0
"987112"	304.12571	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-H2O-H"	-19.01839
"77540"	214.422124	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M-3H"	-3.021828
"509446"	322.136824	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M-3H"	-3.021828
"885064"	106.707424	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-3H"	-3.021828
"2545"	322.136824	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M-2H"	-2.014552
"444291"	483.708874	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M-2H"	-2.014552
"822092"	160.564774	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-2H"	-2.014552
"85365"	645.280924	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M-H"	-1.007276
"532464"	968.425024	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M-H"	-1.007276
"907105"	322.136824	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-H"	-1.007276
"60387"	662.307471	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M-2H+NH4"	16.019271
"501897"	985.451571	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M-2H+NH4"	16.019271
"879098"	339.163371	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-2H+NH4"	16.019271
"45536"	667.262866	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M-2H+Na"	20.974666
"485463"	990.406966	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M-2H+Na"	20.974666
"862295"	344.118766	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-2H+Na"	20.974666
"1632919"	344.118766	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Na-2H"	20.974666
"108839"	340.125163	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M-H+Cl"	33.962126
"547550"	501.697213	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M-H+Cl"	33.962126
"941549"	178.553113	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-H+Cl"	33.962126
"281079"	681.257602	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+Cl"	34.969402
"672036"	1004.401702	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+Cl"	34.969402
"1282253"	358.113502	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Cl"	34.969402
"22623"	683.236806	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M-2H+K"	36.948606
"463279"	1006.380906	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M-2H+K"	36.948606
"835612"	360.092706	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-2H+K"	36.948606
"1559100"	360.092706	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+K-2H"	36.948606
"944792"	368.142294	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-H+HCOOH"	44.998194
"361920"	691.286401	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+HCOOH-H"	44.998201
"349084"	705.302051	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+Hac-H"	59.013851
"1497917"	382.157951	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Hac-H"	59.013851
"959866"	390.124251	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-H+NaCOOH"	66.980151
"110507"	358.113502	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+2Cl"	69.938804
"565109"	519.685552	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+2Cl"	69.938804
"1032572"	196.541452	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2Cl"	69.938804
"1249964"	402.062985	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Br"	78.918885
"1312415"	404.118972	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Cl+HCOOH"	80.974872
"1328819"	426.100929	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Cl+NaCOOH"	102.956829
"919876"	436.129686	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M-H+CF3COOH"	112.985586
"1293303"	472.106364	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Cl+CF3COOH"	148.962264
"1379121"	288.131424	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H-2H2O"	-35.012676
"1393335"	306.1414	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H-H2O"	-17.0027
"290834"	647.295476	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+H"	1.007276
"678152"	970.439576	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+H"	1.007276
"1351462"	324.151376	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H"	1.007276
"127754"	324.151376	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+2H"	2.014552
"573151"	485.723426	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+2H"	2.014552
"1040857"	162.579326	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2H"	2.014552
"218237"	216.436676	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+3H"	3.021828
"652695"	324.151376	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+3H"	3.021828
"1168633"	108.721976	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+3H"	3.021828
"427162"	664.322023	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+NH4"	18.033823
"788157"	987.466123	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+NH4"	18.033823
"1685948"	341.177923	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+NH4"	18.033823
"330940"	332.6646495	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+H+NH4"	19.041099
"735040"	494.2366995	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+H+NH4"	19.041099
"1491053"	171.0925995	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H+NH4"	19.041099
"407672"	669.277418	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+Na"	22.989218
"767445"	992.421518	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+Na"	22.989218
"1615909"	346.133318	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Na"	22.989218
"327035"	335.142347	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+H+Na"	23.996494
"718729"	496.714397	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+H+Na"	23.996494
"1472913"	173.570297	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H+Na"	23.996494
"1064700"	116.04929	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2H+Na"	25.00377
"1267836"	356.177586	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+CH3OH+H"	33.033486
"388233"	685.251358	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+K"	38.963158
"753605"	1008.395458	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+K"	38.963158
"1554201"	362.107258	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+K"	38.963158
"312105"	343.129317	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+H+K"	39.970434
"706927"	504.701367	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+H+K"	39.970434
"1460177"	181.557267	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H+K"	39.970434
"246227"	688.322026	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+ACN+H"	42.033826
"1218932"	365.177926	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+ACN+H"	42.033826
"1200628"	183.092601	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+ACN+2H"	43.041102
"195687"	691.25936	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+2Na-H"	44.97116
"638893"	1014.40346	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+2Na-H"	44.97116
"1146412"	368.11526	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2Na-H"	44.97116
"183137"	346.133318	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+2Na"	45.978436
"625976"	507.705368	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+2Na"	45.978436
"1129847"	184.561268	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2Na"	45.978436
"1407538"	123.376604	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H+2Na"	46.985712
"1441840"	370.156846	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H+HCOOH"	47.012746
"230442"	351.16634	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+3H2O+2H"	56.04448
"1513041"	384.20889	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+IsoProp+H"	61.06479
"413088"	354.120288	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+Na+K"	61.952376
"774085"	515.692338	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+Na+K"	61.952376
"1670055"	192.548238	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Na+K"	61.952376
"258763"	710.303968	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+ACN+Na"	64.015768
"1239140"	387.159868	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+ACN+Na"	64.015768
"1726809"	387.183393	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+NH4+HCOOH"	64.039293
"1192663"	130.703918	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+3Na"	68.967654
"1664737"	392.138788	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Na+HCOOH"	68.994688
"172693"	723.20724	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+2K-H"	76.91904
"612374"	1046.35134	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+2K-H"	76.91904
"1098823"	400.06314	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2K-H"	76.91904
"155400"	362.107258	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"2M+2K"	77.926316
"596423"	523.679308	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"3M+2K"	77.926316
"1080567"	200.535208	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2K"	77.926316
"1115364"	402.077692	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2K+H"	78.933592
"1342507"	402.165307	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+DMSO+H"	79.021207
"1020767"	406.204476	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2ACN+H"	83.060376
"1538770"	407.198108	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+IsoProp+Na+H"	84.054008
"1004850"	203.605876	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+2ACN+2H"	84.067652
"1601904"	408.112728	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+K+HCOOH"	84.968628
"1429547"	438.144238	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+H+CF3COOH"	115.000138
"1158091"	224.119151	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+3ACN+2H"	125.094202
"1712019"	455.170785	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+NH4+CF3COOH"	132.026685
"1641107"	460.12618	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+Na+CF3COOH"	136.98208
"1581133"	476.10012	"C08072"	"Naftifine hydrochloride"	"C21H21NHCl"	"323.1441"	"M+K+CF3COOH"	152.95602
"808220"	665.3047	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M"	0
"985035"	646.28631	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-H2O-H"	-19.01839
"65621"	442.529190666667	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M-3H"	-3.021828
"502867"	664.297424	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M-3H"	-3.021828
"885174"	220.760957333333	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-3H"	-3.021828
"2655"	664.297424	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M-2H"	-2.014552
"442215"	996.949774	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M-2H"	-2.014552
"820016"	331.645074	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-2H"	-2.014552
"84382"	1329.602124	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M-H"	-1.007276
"529412"	1994.906824	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M-H"	-1.007276
"906122"	664.297424	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-H"	-1.007276
"60497"	1346.628671	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M-2H+NH4"	16.019271
"498965"	2011.933371	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M-2H+NH4"	16.019271
"879443"	681.323971	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-2H+NH4"	16.019271
"45762"	1351.584066	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M-2H+Na"	20.974666
"485454"	2016.888766	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M-2H+Na"	20.974666
"863743"	686.279366	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-2H+Na"	20.974666
"1632299"	686.279366	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Na-2H"	20.974666
"109763"	682.285763	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M-H+Cl"	33.962126
"545474"	1014.938113	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M-H+Cl"	33.962126
"942510"	349.633413	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-H+Cl"	33.962126
"281792"	1365.578802	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+Cl"	34.969402
"672146"	2030.883502	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+Cl"	34.969402
"1281270"	700.274102	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Cl"	34.969402
"22733"	1367.558006	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M-2H+K"	36.948606
"463389"	2032.862706	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M-2H+K"	36.948606
"835722"	702.253306	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-2H+K"	36.948606
"1556658"	702.253306	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+K-2H"	36.948606
"943079"	710.302894	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-H+HCOOH"	44.998194
"362030"	1375.607601	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+HCOOH-H"	44.998201
"349193"	1389.623251	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+Hac-H"	59.013851
"1495110"	724.318551	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Hac-H"	59.013851
"960464"	732.284851	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-H+NaCOOH"	66.980151
"110579"	700.274102	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+2Cl"	69.938804
"565341"	1032.926452	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+2Cl"	69.938804
"1032683"	367.621752	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2Cl"	69.938804
"1250074"	744.223585	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Br"	78.918885
"1312525"	746.279572	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Cl+HCOOH"	80.974872
"1330022"	768.261529	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Cl+NaCOOH"	102.956829
"921079"	778.290286	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M-H+CF3COOH"	112.985586
"1293777"	814.266964	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Cl+CF3COOH"	148.962264
"1379231"	630.292024	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H-2H2O"	-35.012676
"1393445"	648.302	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H-H2O"	-17.0027
"289852"	1331.616676	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+H"	1.007276
"680085"	1996.921376	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+H"	1.007276
"1351694"	666.311976	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H"	1.007276
"126161"	666.311976	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+2H"	2.014552
"575813"	998.964326	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+2H"	2.014552
"1040238"	333.659626	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2H"	2.014552
"217619"	444.543742666667	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+3H"	3.021828
"652805"	666.311976	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+3H"	3.021828
"1168743"	222.775509333333	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+3H"	3.021828
"429826"	1348.643223	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+NH4"	18.033823
"788267"	2013.947923	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+NH4"	18.033823
"1684965"	683.338523	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+NH4"	18.033823
"330686"	674.8252495	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+H+NH4"	19.041099
"736609"	1007.4775995	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+H+NH4"	19.041099
"1490798"	342.1728995	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H+NH4"	19.041099
"408144"	1353.598618	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+Na"	22.989218
"767554"	2018.903318	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+Na"	22.989218
"1616748"	688.293918	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Na"	22.989218
"327145"	677.302947	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+H+Na"	23.996494
"720296"	1009.955297	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+H+Na"	23.996494
"1470107"	344.650597	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H+Na"	23.996494
"1061894"	230.102823333333	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2H+Na"	25.00377
"1266124"	698.338186	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+CH3OH+H"	33.033486
"387978"	1369.572558	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+K"	38.963158
"753680"	2034.877258	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+K"	38.963158
"1555390"	704.267858	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+K"	38.963158
"312945"	685.289917	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+H+K"	39.970434
"706884"	1017.942267	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+H+K"	39.970434
"1459192"	352.637567	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H+K"	39.970434
"247431"	1372.643226	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+ACN+H"	42.033826
"1216856"	707.338526	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+ACN+H"	42.033826
"1198916"	354.172901	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+ACN+2H"	43.041102
"197984"	1375.58056	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+2Na-H"	44.97116
"639367"	2040.88526	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+2Na-H"	44.97116
"1146156"	710.27586	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2Na-H"	44.97116
"183246"	688.293918	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+2Na"	45.978436
"625722"	1020.946268	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+2Na"	45.978436
"1129228"	355.641568	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2Na"	45.978436
"1406555"	237.430137333333	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H+2Na"	46.985712
"1440857"	712.317446	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H+HCOOH"	47.012746
"230552"	693.32694	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+3H2O+2H"	56.04448
"1511693"	726.36949	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+IsoProp+H"	61.06479
"413563"	696.280888	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+Na+K"	61.952376
"774195"	1028.933238	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+Na+K"	61.952376
"1670165"	363.628538	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Na+K"	61.952376
"258873"	1394.625168	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+ACN+Na"	64.015768
"1238522"	729.320468	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+ACN+Na"	64.015768
"1725217"	729.343993	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+NH4+HCOOH"	64.039293
"1193827"	244.757451333333	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+3Na"	68.967654
"1663748"	734.299388	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Na+HCOOH"	68.994688
"172190"	1407.52844	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+2K-H"	76.91904
"612114"	2072.83314	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+2K-H"	76.91904
"1098324"	742.22374	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2K-H"	76.91904
"156730"	704.267858	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"2M+2K"	77.926316
"596533"	1036.920208	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"3M+2K"	77.926316
"1077397"	371.615508	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2K"	77.926316
"1115315"	744.238292	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2K+H"	78.933592
"1342617"	744.325907	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+DMSO+H"	79.021207
"1020879"	748.365076	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2ACN+H"	83.060376
"1537907"	749.358708	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+IsoProp+Na+H"	84.054008
"1004233"	374.686176	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+2ACN+2H"	84.067652
"1601772"	750.273328	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+K+HCOOH"	84.968628
"1429454"	780.304838	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+H+CF3COOH"	115.000138
"1158201"	395.199451	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+3ACN+2H"	125.094202
"1711763"	797.331385	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+NH4+CF3COOH"	132.026685
"1642310"	802.28678	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+Na+CF3COOH"	136.98208
"1581243"	818.26072	"C08073"	"Natamycin;Pimaricin"	"C33H47NO13"	"665.3047"	"M+K+CF3COOH"	152.95602
"811610"	426.9813	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M"	0
"987332"	407.96291	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-H2O-H"	-19.01839
"67918"	283.646924	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M-3H"	-3.021828
"505289"	425.974024	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M-3H"	-3.021828
"882004"	141.319824	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-3H"	-3.021828
"6045"	425.974024	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M-2H"	-2.014552
"442325"	639.464674	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M-2H"	-2.014552
"819033"	212.483374	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-2H"	-2.014552
"84492"	852.955324	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M-H"	-1.007276
"522961"	1279.936624	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M-H"	-1.007276
"900759"	425.974024	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-H"	-1.007276
"61701"	869.981871	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M-2H+NH4"	16.019271
"499437"	1296.963171	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M-2H+NH4"	16.019271
"876755"	443.000571	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-2H+NH4"	16.019271
"42589"	874.937266	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M-2H+Na"	20.974666
"486527"	1301.918566	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M-2H+Na"	20.974666
"861047"	447.955966	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-2H+Na"	20.974666
"1630582"	447.955966	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Na-2H"	20.974666
"103829"	443.962363	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M-H+Cl"	33.962126
"547765"	657.453013	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M-H+Cl"	33.962126
"941285"	230.471713	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-H+Cl"	33.962126
"281058"	888.932002	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+Cl"	34.969402
"672256"	1315.913302	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+Cl"	34.969402
"1282473"	461.950702	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Cl"	34.969402
"20655"	890.911206	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M-2H+K"	36.948606
"466778"	1317.892506	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M-2H+K"	36.948606
"834738"	463.929906	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-2H+K"	36.948606
"1559320"	463.929906	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+K-2H"	36.948606
"945013"	471.979494	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-H+HCOOH"	44.998194
"362504"	898.960801	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+HCOOH-H"	44.998201
"351490"	912.976451	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+Hac-H"	59.013851
"1496313"	485.995151	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Hac-H"	59.013851
"963490"	493.961451	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-H+NaCOOH"	66.980151
"110448"	461.950702	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+2Cl"	69.938804
"564357"	675.441352	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+2Cl"	69.938804
"1024042"	248.460052	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2Cl"	69.938804
"1246904"	505.900185	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Br"	78.918885
"1311538"	507.956172	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Cl+HCOOH"	80.974872
"1331225"	529.938129	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Cl+NaCOOH"	102.956829
"922282"	539.966886	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M-H+CF3COOH"	112.985586
"1294251"	575.943564	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Cl+CF3COOH"	148.962264
"1378977"	391.968624	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H-2H2O"	-35.012676
"1393555"	409.9786	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H-H2O"	-17.0027
"287775"	854.969876	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+H"	1.007276
"678372"	1281.951176	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+H"	1.007276
"1351804"	427.988576	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H"	1.007276
"126514"	427.988576	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+2H"	2.014552
"574830"	641.479226	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+2H"	2.014552
"1038891"	214.497926	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2H"	2.014552
"214813"	285.661476	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+3H"	3.021828
"649634"	427.988576	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+3H"	3.021828
"1168853"	143.334376	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+3H"	3.021828
"427750"	871.996423	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+NH4"	18.033823
"787648"	1298.977723	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+NH4"	18.033823
"1683617"	445.015123	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+NH4"	18.033823
"331524"	436.5018495	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+H+NH4"	19.041099
"735990"	649.9924995	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+H+NH4"	19.041099
"1490543"	223.0111995	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H+NH4"	19.041099
"407765"	876.951818	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+Na"	22.989218
"765842"	1303.933118	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+Na"	22.989218
"1616128"	449.970518	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Na"	22.989218
"325069"	438.979547	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+H+Na"	23.996494
"718584"	652.470197	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+H+Na"	23.996494
"1470217"	225.488897	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H+Na"	23.996494
"1062004"	150.66169	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2H+Na"	25.00377
"1266234"	460.014786	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+CH3OH+H"	33.033486
"386995"	892.925758	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+K"	38.963158
"754072"	1319.907058	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+K"	38.963158
"1555278"	465.944458	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+K"	38.963158
"313422"	446.966517	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+H+K"	39.970434
"706973"	660.457167	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+H+K"	39.970434
"1461125"	233.475867	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H+K"	39.970434
"243166"	895.996426	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+ACN+H"	42.033826
"1216965"	469.015126	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+ACN+H"	42.033826
"1201942"	235.011201	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+ACN+2H"	43.041102
"195907"	898.93376	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+2Na-H"	44.97116
"635467"	1325.91506	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+2Na-H"	44.97116
"1141159"	471.95246	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2Na-H"	44.97116
"184088"	449.970518	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+2Na"	45.978436
"625469"	663.461168	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+2Na"	45.978436
"1127882"	236.479868	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2Na"	45.978436
"1406665"	157.989004	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H+2Na"	46.985712
"1439873"	473.994046	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H+HCOOH"	47.012746
"228476"	455.00354	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+3H2O+2H"	56.04448
"1513986"	488.04609	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+IsoProp+H"	61.06479
"412944"	457.957488	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+Na+K"	61.952376
"773575"	671.448138	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+Na+K"	61.952376
"1670274"	244.466838	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Na+K"	61.952376
"254604"	917.978368	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+ACN+Na"	64.015768
"1236069"	490.997068	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+ACN+Na"	64.015768
"1723863"	491.020593	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+NH4+HCOOH"	64.039293
"1194103"	165.316318	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+3Na"	68.967654
"1665401"	495.975988	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Na+HCOOH"	68.994688
"172420"	930.88164	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+2K-H"	76.91904
"612632"	1357.86294	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+2K-H"	76.91904
"1098313"	503.90034	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2K-H"	76.91904
"156717"	465.944458	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"2M+2K"	77.926316
"595058"	679.435108	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"3M+2K"	77.926316
"1074227"	252.453808	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2K"	77.926316
"1115491"	505.914892	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2K+H"	78.933592
"1342727"	506.002507	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+DMSO+H"	79.021207
"1020986"	510.041676	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2ACN+H"	83.060376
"1538995"	511.035308	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+IsoProp+Na+H"	84.054008
"1004583"	255.524476	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+2ACN+2H"	84.067652
"1601882"	511.949928	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+K+HCOOH"	84.968628
"1429840"	541.981438	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+H+CF3COOH"	115.000138
"1158311"	276.037751	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+3ACN+2H"	125.094202
"1712119"	559.007985	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+NH4+CF3COOH"	132.026685
"1643514"	563.96338	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+Na+CF3COOH"	136.98208
"1581353"	579.93732	"C08074"	"Oxiconazole"	"C18H13Cl4N3O"	"426.9813"	"M+K+CF3COOH"	152.95602
"811720"	489.9769	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M"	0
"986349"	470.95851	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-H2O-H"	-19.01839
"68028"	325.643990666667	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M-3H"	-3.021828
"504306"	488.969624	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M-3H"	-3.021828
"880406"	162.318357333333	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-3H"	-3.021828
"8342"	488.969624	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M-2H"	-2.014552
"444622"	733.958074	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M-2H"	-2.014552
"820236"	243.981174	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-2H"	-2.014552
"82415"	978.946524	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M-H"	-1.007276
"523071"	1468.923424	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M-H"	-1.007276
"900869"	488.969624	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-H"	-1.007276
"61325"	995.973071	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M-2H+NH4"	16.019271
"498818"	1485.949971	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M-2H+NH4"	16.019271
"871519"	505.996171	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-2H+NH4"	16.019271
"42335"	1000.928466	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M-2H+Na"	20.974666
"484328"	1490.905366	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M-2H+Na"	20.974666
"856783"	510.951566	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-2H+Na"	20.974666
"1627409"	510.951566	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Na-2H"	20.974666
"100657"	506.957963	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M-H+Cl"	33.962126
"536938"	751.946413	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M-H+Cl"	33.962126
"927695"	261.969513	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-H+Cl"	33.962126
"280797"	1014.923202	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+Cl"	34.969402
"665805"	1504.900102	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+Cl"	34.969402
"1279303"	524.946302	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Cl"	34.969402
"16513"	1016.902406	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M-2H+K"	36.948606
"465795"	1506.879306	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M-2H+K"	36.948606
"838129"	526.925506	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-2H+K"	36.948606
"1558337"	526.925506	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+K-2H"	36.948606
"944397"	534.975094	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-H+HCOOH"	44.998194
"361679"	1024.952001	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+HCOOH-H"	44.998201
"348318"	1038.967651	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+Hac-H"	59.013851
"1496056"	548.990751	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Hac-H"	59.013851
"960317"	556.957051	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-H+NaCOOH"	66.980151
"112138"	524.946302	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+2Cl"	69.938804
"565399"	769.934752	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+2Cl"	69.938804
"1026339"	279.957852	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2Cl"	69.938804
"1250294"	568.895785	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Br"	78.918885
"1312741"	570.951772	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Cl+HCOOH"	80.974872
"1331335"	592.933729	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Cl+NaCOOH"	102.956829
"921299"	602.962486	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M-H+CF3COOH"	112.985586
"1293633"	638.939164	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Cl+CF3COOH"	148.962264
"1379451"	454.964224	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H-2H2O"	-35.012676
"1392572"	472.9742	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H-H2O"	-17.0027
"288977"	980.961076	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+H"	1.007276
"679576"	1470.937976	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+H"	1.007276
"1351914"	490.984176	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H"	1.007276
"128444"	490.984176	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+2H"	2.014552
"573481"	735.972626	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+2H"	2.014552
"1043374"	245.995726	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2H"	2.014552
"214923"	327.658542666667	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+3H"	3.021828
"649744"	490.984176	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+3H"	3.021828
"1171150"	164.332909333333	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+3H"	3.021828
"430046"	997.987623	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+NH4"	18.033823
"787757"	1487.964523	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+NH4"	18.033823
"1685185"	508.010723	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+NH4"	18.033823
"331271"	499.4974495	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+H+NH4"	19.041099
"737072"	744.4858995	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+H+NH4"	19.041099
"1489925"	254.5089995	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H+NH4"	19.041099
"407147"	1002.943018	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+Na"	22.989218
"768139"	1492.919918	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+Na"	22.989218
"1614052"	512.966118	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Na"	22.989218
"324451"	501.975147	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+H+Na"	23.996494
"714317"	746.963597	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+H+Na"	23.996494
"1467046"	256.986697	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H+Na"	23.996494
"1058104"	171.660223333333	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2H+Na"	25.00377
"1261969"	523.010386	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+CH3OH+H"	33.033486
"387469"	1018.916958	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+K"	38.963158
"745915"	1508.893858	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+K"	38.963158
"1550156"	528.940058	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+K"	38.963158
"307332"	509.962117	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+H+K"	39.970434
"706809"	754.950567	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+H+K"	39.970434
"1460873"	264.973667	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H+K"	39.970434
"243276"	1021.987626	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+ACN+H"	42.033826
"1217075"	532.010726	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+ACN+H"	42.033826
"1200959"	266.509001	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+ACN+2H"	43.041102
"196381"	1024.92496	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+2Na-H"	44.97116
"637764"	1514.90186	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+2Na-H"	44.97116
"1141269"	534.94806	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2Na-H"	44.97116
"184197"	512.966118	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+2Na"	45.978436
"627404"	757.954568	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+2Na"	45.978436
"1126168"	267.977668	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2Na"	45.978436
"1408962"	178.987537333333	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H+2Na"	46.985712
"1441079"	536.989646	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H+HCOOH"	47.012746
"224578"	517.99914	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+3H2O+2H"	56.04448
"1517743"	551.04169	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+IsoProp+H"	61.06479
"415242"	520.953088	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+Na+K"	61.952376
"775148"	765.941538	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+Na+K"	61.952376
"1668200"	275.964638	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Na+K"	61.952376
"254350"	1043.969568	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+ACN+Na"	64.015768
"1238004"	553.992668	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+ACN+Na"	64.015768
"1722880"	554.016193	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+NH4+HCOOH"	64.039293
"1194164"	186.314851333333	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+3Na"	68.967654
"1663968"	558.971588	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Na+HCOOH"	68.994688
"171925"	1056.87284	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+2K-H"	76.91904
"609659"	1546.84974	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+2K-H"	76.91904
"1095628"	566.89594	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2K-H"	76.91904
"146978"	528.940058	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"2M+2K"	77.926316
"592008"	773.928508	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"3M+2K"	77.926316
"1074337"	283.951608	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2K"	77.926316
"1113013"	568.910492	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2K+H"	78.933592
"1342837"	568.998107	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+DMSO+H"	79.021207
"1019995"	573.037276	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2ACN+H"	83.060376
"1538243"	574.030908	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+IsoProp+Na+H"	84.054008
"1005502"	287.022276	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+2ACN+2H"	84.067652
"1600287"	574.945528	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+K+HCOOH"	84.968628
"1423758"	604.977038	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+H+CF3COOH"	115.000138
"1159514"	307.535551	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+3ACN+2H"	125.094202
"1712472"	622.003585	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+NH4+CF3COOH"	132.026685
"1643624"	626.95898	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+Na+CF3COOH"	136.98208
"1581463"	642.93292	"C08075"	"Oxiconazole nitrate"	"C18H13Cl4N3OHNO3"	"489.9769"	"M+K+CF3COOH"	152.95602
"811830"	396.0022	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M"	0
"984272"	376.98381	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-H2O-H"	-19.01839
"68138"	262.994190666667	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M-3H"	-3.021828
"503808"	394.994924	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M-3H"	-3.021828
"880517"	130.993457333333	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-3H"	-3.021828
"6266"	394.994924	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M-2H"	-2.014552
"444731"	592.996024	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M-2H"	-2.014552
"819251"	196.993824	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-2H"	-2.014552
"81430"	790.997124	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M-H"	-1.007276
"523178"	1186.999324	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M-H"	-1.007276
"899154"	394.994924	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-H"	-1.007276
"55359"	808.023671	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M-2H+NH4"	16.019271
"494916"	1204.025871	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M-2H+NH4"	16.019271
"871627"	412.021471	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-2H+NH4"	16.019271
"40258"	812.979066	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M-2H+Na"	20.974666
"480180"	1208.981266	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M-2H+Na"	20.974666
"856891"	416.976866	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-2H+Na"	20.974666
"1625334"	416.976866	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Na-2H"	20.974666
"95421"	412.983263	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M-H+Cl"	33.962126
"535955"	610.984363	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M-H+Cl"	33.962126
"927520"	214.982163	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-H+Cl"	33.962126
"277869"	826.973802	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+Cl"	34.969402
"665915"	1222.976002	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+Cl"	34.969402
"1279413"	430.971602	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Cl"	34.969402
"16865"	828.953006	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M-2H+K"	36.948606
"462625"	1224.955206	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M-2H+K"	36.948606
"838239"	432.950806	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-2H+K"	36.948606
"1558448"	432.950806	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+K-2H"	36.948606
"945236"	441.000394	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-H+HCOOH"	44.998194
"361831"	837.002601	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+HCOOH-H"	44.998201
"349523"	851.018251	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+Hac-H"	59.013851
"1495074"	455.016051	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Hac-H"	59.013851
"960063"	462.982351	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-H+NaCOOH"	66.980151
"112614"	430.971602	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+2Cl"	69.938804
"564212"	628.972702	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+2Cl"	69.938804
"1026449"	232.970502	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2Cl"	69.938804
"1250404"	474.921085	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Br"	78.918885
"1310665"	476.977072	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Cl+HCOOH"	80.974872
"1332539"	498.959029	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Cl+NaCOOH"	102.956829
"920316"	508.987786	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M-H+CF3COOH"	112.985586
"1292650"	544.964464	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Cl+CF3COOH"	148.962264
"1376281"	360.989524	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H-2H2O"	-35.012676
"1392682"	378.9995	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H-H2O"	-17.0027
"287994"	793.011676	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+H"	1.007276
"678229"	1189.013876	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+H"	1.007276
"1351780"	397.009476	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H"	1.007276
"126371"	397.009476	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+2H"	2.014552
"571403"	595.010576	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+2H"	2.014552
"1043484"	199.008376	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2H"	2.014552
"208106"	265.008742666667	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+3H"	3.021828
"646932"	397.009476	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+3H"	3.021828
"1166155"	133.008009333333	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+3H"	3.021828
"428332"	810.038223	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+NH4"	18.033823
"786773"	1206.040423	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+NH4"	18.033823
"1686387"	414.036023	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+NH4"	18.033823
"333206"	405.5227495	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+H+NH4"	19.041099
"734387"	603.5238495	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+H+NH4"	19.041099
"1491129"	207.5216495	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H+NH4"	19.041099
"407015"	814.993618	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+Na"	22.989218
"768979"	1210.995818	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+Na"	22.989218
"1616713"	418.991418	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Na"	22.989218
"323102"	408.000447	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+H+Na"	23.996494
"716614"	606.001547	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+H+Na"	23.996494
"1466062"	209.999347	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H+Na"	23.996494
"1057121"	140.335323333333	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2H+Na"	25.00377
"1263171"	429.035686	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+CH3OH+H"	33.033486
"385027"	830.967558	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+K"	38.963158
"746025"	1226.969758	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+K"	38.963158
"1550266"	434.965358	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+K"	38.963158
"310722"	415.987417	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+H+K"	39.970434
"706069"	613.988517	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+H+K"	39.970434
"1460741"	217.986317	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H+K"	39.970434
"243386"	834.038226	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+ACN+H"	42.033826
"1219372"	438.036026	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+ACN+H"	42.033826
"1201070"	219.521651	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+ACN+2H"	43.041102
"196126"	836.97556	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+2Na-H"	44.97116
"637874"	1232.97776	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+2Na-H"	44.97116
"1142109"	440.97336	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2Na-H"	44.97116
"184307"	418.991418	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+2Na"	45.978436
"626176"	616.992518	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+2Na"	45.978436
"1126278"	220.990318	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2Na"	45.978436
"1407979"	147.662637333333	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H+2Na"	46.985712
"1440094"	443.014946	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H+HCOOH"	47.012746
"229790"	424.02444	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+3H2O+2H"	56.04448
"1516760"	457.06699	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+IsoProp+H"	61.06479
"413162"	426.978388	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+Na+K"	61.952376
"774165"	624.979488	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+Na+K"	61.952376
"1673778"	228.977288	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Na+K"	61.952376
"260297"	856.020168	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+ACN+Na"	64.015768
"1236292"	460.017968	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+ACN+Na"	64.015768
"1722990"	460.041493	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+NH4+HCOOH"	64.039293
"1193705"	154.989951333333	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+3Na"	68.967654
"1662984"	464.996888	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Na+HCOOH"	68.994688
"171913"	868.92344	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+2K-H"	76.91904
"609040"	1264.92564	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+2K-H"	76.91904
"1094644"	472.92124	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2K-H"	76.91904
"149276"	434.965358	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"2M+2K"	77.926316
"592118"	632.966458	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"3M+2K"	77.926316
"1074447"	236.964258	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2K"	77.926316
"1110937"	474.935792	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2K+H"	78.933592
"1342947"	475.023407	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+DMSO+H"	79.021207
"1016946"	479.062576	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2ACN+H"	83.060376
"1532885"	480.056208	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+IsoProp+Na+H"	84.054008
"1002613"	240.034926	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+2ACN+2H"	84.067652
"1597116"	480.970828	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+K+HCOOH"	84.968628
"1421682"	511.002338	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+H+CF3COOH"	115.000138
"1151970"	260.548201	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+3ACN+2H"	125.094202
"1711365"	528.028885	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+NH4+CF3COOH"	132.026685
"1641547"	532.98428	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+Na+CF3COOH"	136.98208
"1581573"	548.95822	"C08076"	"Sulconazole"	"C18H15Cl3N2S"	"396.0022"	"M+K+CF3COOH"	152.95602
"811940"	291.1987	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M"	0
"984382"	272.18031	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-H2O-H"	-19.01839
"68248"	193.125190666667	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M-3H"	-3.021828
"503433"	290.191424	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M-3H"	-3.021828
"880870"	96.0589573333333	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-3H"	-3.021828
"7469"	290.191424	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M-2H"	-2.014552
"444841"	435.790774	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M-2H"	-2.014552
"819360"	144.592074	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-2H"	-2.014552
"81904"	581.390124	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M-H"	-1.007276
"523288"	872.588824	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M-H"	-1.007276
"898656"	290.191424	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-H"	-1.007276
"56561"	598.416671	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M-2H+NH4"	16.019271
"495026"	889.615371	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M-2H+NH4"	16.019271
"868457"	307.217971	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-2H+NH4"	16.019271
"41461"	603.372066	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M-2H+Na"	20.974666
"481383"	894.570766	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M-2H+Na"	20.974666
"858094"	312.173366	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-2H+Na"	20.974666
"1624351"	312.173366	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Na-2H"	20.974666
"97596"	308.179763	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M-H+Cl"	33.962126
"536793"	453.779113	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M-H+Cl"	33.962126
"928116"	162.580413	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-H+Cl"	33.962126
"277979"	617.366802	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+Cl"	34.969402
"666025"	908.565502	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+Cl"	34.969402
"1278430"	326.168102	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Cl"	34.969402
"16976"	619.346006	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M-2H+K"	36.948606
"460547"	910.544706	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M-2H+K"	36.948606
"840535"	328.147306	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-2H+K"	36.948606
"1556731"	328.147306	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+K-2H"	36.948606
"946438"	336.196894	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-H+HCOOH"	44.998194
"361981"	627.395601	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+HCOOH-H"	44.998201
"349633"	641.411251	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+Hac-H"	59.013851
"1496275"	350.212551	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Hac-H"	59.013851
"963088"	358.178851	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-H+NaCOOH"	66.980151
"112359"	326.168102	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+2Cl"	69.938804
"563229"	471.767452	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+2Cl"	69.938804
"1024372"	180.568752	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2Cl"	69.938804
"1250514"	370.117585	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Br"	78.918885
"1310775"	372.173572	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Cl+HCOOH"	80.974872
"1332649"	394.155529	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Cl+NaCOOH"	102.956829
"919333"	404.184286	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M-H+CF3COOH"	112.985586
"1293853"	440.160964	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Cl+CF3COOH"	148.962264
"1376391"	256.186024	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H-2H2O"	-35.012676
"1392792"	274.196	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H-H2O"	-17.0027
"288468"	583.404676	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+H"	1.007276
"680525"	874.603376	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+H"	1.007276
"1351564"	292.205976	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H"	1.007276
"127209"	292.205976	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+2H"	2.014552
"566039"	437.805326	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+2H"	2.014552
"1041406"	146.606626	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2H"	2.014552
"207485"	195.139742666667	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+3H"	3.021828
"644852"	292.205976	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+3H"	3.021828
"1168087"	98.0735093333333	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+3H"	3.021828
"429533"	600.431223	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+NH4"	18.033823
"787976"	891.629923	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+NH4"	18.033823
"1685037"	309.232523	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+NH4"	18.033823
"331857"	300.7192495	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+H+NH4"	19.041099
"726471"	446.3185995	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+H+NH4"	19.041099
"1485399"	155.1198995	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H+NH4"	19.041099
"404079"	605.386618	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+Na"	22.989218
"765805"	896.585318	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+Na"	22.989218
"1615361"	314.187918	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Na"	22.989218
"324304"	303.196947	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+H+Na"	23.996494
"714536"	448.796297	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+H+Na"	23.996494
"1466172"	157.597597	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H+Na"	23.996494
"1058324"	105.400823333333	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2H+Na"	25.00377
"1262188"	324.232186	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+CH3OH+H"	33.033486
"388053"	621.360558	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+K"	38.963158
"743948"	912.559258	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+K"	38.963158
"1550376"	330.161858	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+K"	38.963158
"307552"	311.183917	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+H+K"	39.970434
"706176"	456.783267	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+H+K"	39.970434
"1460732"	165.584567	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H+K"	39.970434
"240215"	624.431226	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+ACN+H"	42.033826
"1221670"	333.232526	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+ACN+H"	42.033826
"1204459"	167.119901	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+ACN+2H"	43.041102
"200610"	627.36856	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+2Na-H"	44.97116
"640170"	918.56726	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+2Na-H"	44.97116
"1140395"	336.16986	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2Na-H"	44.97116
"183685"	314.187918	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+2Na"	45.978436
"624337"	459.787268	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+2Na"	45.978436
"1125660"	168.588568	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2Na"	45.978436
"1410276"	112.728137333333	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H+2Na"	46.985712
"1436923"	338.211446	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H+HCOOH"	47.012746
"229901"	319.22094	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+3H2O+2H"	56.04448
"1515774"	352.26349	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+IsoProp+H"	61.06479
"413274"	322.174888	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+Na+K"	61.952376
"776462"	467.774238	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+Na+K"	61.952376
"1673888"	176.575538	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Na+K"	61.952376
"260407"	646.413168	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+ACN+Na"	64.015768
"1236401"	355.214468	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+ACN+Na"	64.015768
"1719820"	355.237993	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+NH4+HCOOH"	64.039293
"1191737"	120.055451333333	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+3Na"	68.967654
"1656166"	360.193388	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Na+HCOOH"	68.994688
"169587"	659.31644	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+2K-H"	76.91904
"605869"	950.51514	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+2K-H"	76.91904
"1095847"	368.11774	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2K-H"	76.91904
"147199"	330.161858	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"2M+2K"	77.926316
"592228"	475.761208	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"3M+2K"	77.926316
"1074557"	184.562508	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2K"	77.926316
"1112140"	370.132292	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2K+H"	78.933592
"1343057"	370.219907	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+DMSO+H"	79.021207
"1017056"	374.259076	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2ACN+H"	83.060376
"1532995"	375.252708	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+IsoProp+Na+H"	84.054008
"999443"	187.633176	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+2ACN+2H"	84.067652
"1597226"	376.167328	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+K+HCOOH"	84.968628
"1421792"	406.198838	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+H+CF3COOH"	115.000138
"1152080"	208.146451	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+3ACN+2H"	125.094202
"1709288"	423.225385	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+NH4+CF3COOH"	132.026685
"1640564"	428.18078	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+Na+CF3COOH"	136.98208
"1581683"	444.15472	"C08079"	"Terbinafine"	"C21H25N"	"291.1987"	"M+K+CF3COOH"	152.95602
"812050"	531.1804	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M"	0
"984493"	512.16201	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-H2O-H"	-19.01839
"71638"	353.112990666667	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M-3H"	-3.021828
"506822"	530.173124	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M-3H"	-3.021828
"880858"	176.052857333333	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-3H"	-3.021828
"3204"	530.173124	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M-2H"	-2.014552
"442764"	795.763324	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M-2H"	-2.014552
"820563"	264.582924	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-2H"	-2.014552
"80555"	1061.353524	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M-H"	-1.007276
"520845"	1592.533924	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M-H"	-1.007276
"899737"	530.173124	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-H"	-1.007276
"49378"	1078.380071	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M-2H+NH4"	16.019271
"490760"	1609.560471	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M-2H+NH4"	16.019271
"874032"	547.199671	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-2H+NH4"	16.019271
"43028"	1083.335466	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M-2H+Na"	20.974666
"480399"	1614.515866	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M-2H+Na"	20.974666
"857108"	552.155066	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-2H+Na"	20.974666
"1624459"	552.155066	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Na-2H"	20.974666
"98795"	548.161463	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M-H+Cl"	33.962126
"537631"	813.751663	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M-H+Cl"	33.962126
"928593"	282.571263	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-H+Cl"	33.962126
"275902"	1097.330202	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+Cl"	34.969402
"663583"	1628.510602	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+Cl"	34.969402
"1278540"	566.149802	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Cl"	34.969402
"17814"	1099.309406	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M-2H+K"	36.948606
"458833"	1630.489806	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M-2H+K"	36.948606
"838458"	568.129006	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-2H+K"	36.948606
"1557572"	568.129006	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+K-2H"	36.948606
"943995"	576.178594	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-H+HCOOH"	44.998194
"363672"	1107.359001	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+HCOOH-H"	44.998201
"351200"	1121.374651	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+Hac-H"	59.013851
"1495292"	590.194251	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Hac-H"	59.013851
"963563"	598.160551	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-H+NaCOOH"	66.980151
"112834"	566.149802	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+2Cl"	69.938804
"552398"	831.740002	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+2Cl"	69.938804
"1024846"	300.559602	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2Cl"	69.938804
"1249531"	610.099285	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Br"	78.918885
"1310885"	612.155272	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Cl+HCOOH"	80.974872
"1330572"	634.137229	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Cl+NaCOOH"	102.956829
"919443"	644.165986	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M-H+CF3COOH"	112.985586
"1293963"	680.142664	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Cl+CF3COOH"	148.962264
"1368112"	496.167724	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H-2H2O"	-35.012676
"1389622"	514.1777	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H-H2O"	-17.0027
"286027"	1063.368076	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+H"	1.007276
"678448"	1594.548476	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+H"	1.007276
"1352970"	532.187676	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H"	1.007276
"128779"	532.187676	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+2H"	2.014552
"567243"	797.777876	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+2H"	2.014552
"1038964"	266.597476	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2H"	2.014552
"207595"	355.127542666667	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+3H"	3.021828
"644716"	532.187676	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+3H"	3.021828
"1167468"	178.067409333333	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+3H"	3.021828
"428551"	1080.394623	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+NH4"	18.033823
"788450"	1611.575023	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+NH4"	18.033823
"1684419"	549.214223	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+NH4"	18.033823
"331967"	540.7009495	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+H+NH4"	19.041099
"727310"	806.2911495	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+H+NH4"	19.041099
"1485509"	275.1107495	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H+NH4"	19.041099
"400909"	1085.350018	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+Na"	22.989218
"756434"	1616.530418	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+Na"	22.989218
"1612189"	554.169618	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Na"	22.989218
"322225"	543.178647	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+H+Na"	23.996494
"710272"	808.768847	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+H+Na"	23.996494
"1466281"	277.588447	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H+Na"	23.996494
"1057341"	185.394723333333	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2H+Na"	25.00377
"1262298"	564.213886	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+CH3OH+H"	33.033486
"386340"	1101.323958	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+K"	38.963158
"746243"	1632.504358	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+K"	38.963158
"1543924"	570.143558	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+K"	38.963158
"307662"	551.165617	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+H+K"	39.970434
"703364"	816.755817	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+H+K"	39.970434
"1457187"	285.575417	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H+K"	39.970434
"242513"	1104.394626	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+ACN+H"	42.033826
"1218500"	573.214226	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+ACN+H"	42.033826
"1205662"	287.110751	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+ACN+2H"	43.041102
"195252"	1107.33196	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+2Na-H"	44.97116
"640279"	1638.51236	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+2Na-H"	44.97116
"1143784"	576.15156	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2Na-H"	44.97116
"183794"	554.169618	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+2Na"	45.978436
"621167"	819.759818	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+2Na"	45.978436
"1127955"	288.579418	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2Na"	45.978436
"1411479"	192.722037333333	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H+2Na"	46.985712
"1440314"	578.193146	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H+HCOOH"	47.012746
"230010"	559.20264	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+3H2O+2H"	56.04448
"1515885"	592.24519	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+IsoProp+H"	61.06479
"414478"	562.156588	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+Na+K"	61.952376
"774383"	827.746788	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+Na+K"	61.952376
"1671809"	296.566388	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Na+K"	61.952376
"257237"	1126.376568	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+ACN+Na"	64.015768
"1235415"	595.196168	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+ACN+Na"	64.015768
"1716646"	595.219693	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+NH4+HCOOH"	64.039293
"1189657"	200.049351333333	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+3Na"	68.967654
"1656276"	600.175088	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Na+HCOOH"	68.994688
"164230"	1139.27984	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+2K-H"	76.91904
"608166"	1670.46024	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+2K-H"	76.91904
"1095957"	608.09944	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2K-H"	76.91904
"147309"	570.143558	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"2M+2K"	77.926316
"594525"	835.733758	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"3M+2K"	77.926316
"1074667"	304.553358	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2K"	77.926316
"1112250"	610.113992	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2K+H"	78.933592
"1343167"	610.201607	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+DMSO+H"	79.021207
"1017166"	614.240776	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2ACN+H"	83.060376
"1533105"	615.234408	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+IsoProp+Na+H"	84.054008
"999553"	307.624026	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+2ACN+2H"	84.067652
"1597336"	616.149028	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+K+HCOOH"	84.968628
"1421902"	646.180538	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+H+CF3COOH"	115.000138
"1153283"	328.137301	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+3ACN+2H"	125.094202
"1709398"	663.207085	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+NH4+CF3COOH"	132.026685
"1647234"	668.16248	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+Na+CF3COOH"	136.98208
"1581793"	684.13642	"C08080"	"Terconazole"	"C26H31Cl2N5O3"	"531.1804"	"M+K+CF3COOH"	152.95602
"812160"	385.9814	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M"	0
"985696"	366.96301	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-H2O-H"	-19.01839
"69562"	256.313657333333	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M-3H"	-3.021828
"509121"	384.974124	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M-3H"	-3.021828
"881698"	127.653190666667	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-3H"	-3.021828
"2585"	384.974124	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M-2H"	-2.014552
"443968"	577.964824	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M-2H"	-2.014552
"819945"	191.983424	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-2H"	-2.014552
"79938"	770.955524	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M-H"	-1.007276
"521684"	1156.936924	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M-H"	-1.007276
"897298"	384.974124	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-H"	-1.007276
"49488"	787.982071	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M-2H+NH4"	16.019271
"490870"	1173.963471	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M-2H+NH4"	16.019271
"874142"	402.000671	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-2H+NH4"	16.019271
"44960"	792.937466	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M-2H+Na"	20.974666
"477229"	1178.918866	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M-2H+Na"	20.974666
"857218"	406.956066	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-2H+Na"	20.974666
"1625661"	406.956066	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Na-2H"	20.974666
"96719"	402.962463	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M-H+Cl"	33.962126
"538835"	595.953163	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M-H+Cl"	33.962126
"930525"	209.971763	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-H+Cl"	33.962126
"276012"	806.932202	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+Cl"	34.969402
"661141"	1192.913602	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+Cl"	34.969402
"1274149"	420.950802	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Cl"	34.969402
"17560"	808.911406	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M-2H+K"	36.948606
"457850"	1194.892806	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M-2H+K"	36.948606
"838568"	422.930006	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-2H+K"	36.948606
"1562420"	422.930006	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+K-2H"	36.948606
"945201"	430.979594	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-H+HCOOH"	44.998194
"363053"	816.961001	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+HCOOH-H"	44.998201
"350580"	830.976651	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+Hac-H"	59.013851
"1494673"	444.995251	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Hac-H"	59.013851
"963672"	452.961551	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-H+NaCOOH"	66.980151
"113673"	420.950802	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+2Cl"	69.938804
"552141"	613.941502	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+2Cl"	69.938804
"1025313"	227.960102	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2Cl"	69.938804
"1250734"	464.900285	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Br"	78.918885
"1311723"	466.956272	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Cl+HCOOH"	80.974872
"1331411"	488.938229	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Cl+NaCOOH"	102.956829
"921739"	498.966986	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M-H+CF3COOH"	112.985586
"1293344"	534.943664	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Cl+CF3COOH"	148.962264
"1370043"	350.968724	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H-2H2O"	-35.012676
"1389731"	368.9787	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H-H2O"	-17.0027
"287958"	772.970076	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+H"	1.007276
"679651"	1158.951476	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+H"	1.007276
"1351866"	386.988676	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H"	1.007276
"128889"	386.988676	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+2H"	2.014552
"566989"	579.979376	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+2H"	2.014552
"1040896"	193.997976	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2H"	2.014552
"207705"	258.328209333333	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+3H"	3.021828
"645436"	386.988676	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+3H"	3.021828
"1169400"	129.667742666667	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+3H"	3.021828
"428297"	789.996623	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+NH4"	18.033823
"787832"	1175.978023	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+NH4"	18.033823
"1684531"	404.015223	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+NH4"	18.033823
"331228"	395.5019495	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+H+NH4"	19.041099
"728513"	588.4926495	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+H+NH4"	19.041099
"1485616"	202.5112495	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H+NH4"	19.041099
"401018"	794.952018	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+Na"	22.989218
"758730"	1180.933418	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+Na"	22.989218
"1605734"	408.970618	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Na"	22.989218
"317959"	397.979647	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+H+Na"	23.996494
"710380"	590.970347	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+H+Na"	23.996494
"1465297"	204.988947	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H+Na"	23.996494
"1057450"	136.995056666667	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2H+Na"	25.00377
"1260221"	419.014886	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+CH3OH+H"	33.033486
"379889"	810.925958	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+K"	38.963158
"745259"	1196.907358	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+K"	38.963158
"1542940"	424.944558	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+K"	38.963158
"309958"	405.966617	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+H+K"	39.970434
"701287"	598.957317	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+H+K"	39.970434
"1460213"	212.975917	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H+K"	39.970434
"241529"	813.996626	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+ACN+H"	42.033826
"1214236"	428.015226	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+ACN+H"	42.033826
"1202491"	214.511251	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+ACN+2H"	43.041102
"192081"	816.93396	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+2Na-H"	44.97116
"632735"	1202.91536	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+2Na-H"	44.97116
"1139520"	430.95256	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2Na-H"	44.97116
"181717"	408.970618	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+2Na"	45.978436
"622370"	601.961318	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+2Na"	45.978436
"1126972"	215.979918	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2Na"	45.978436
"1412684"	144.322370666667	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H+2Na"	46.985712
"1440424"	432.994146	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H+HCOOH"	47.012746
"226840"	414.00364	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+3H2O+2H"	56.04448
"1514902"	447.04619	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+IsoProp+H"	61.06479
"414588"	416.957588	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+Na+K"	61.952376
"772307"	609.948288	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+Na+K"	61.952376
"1671919"	223.966888	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Na+K"	61.952376
"257347"	835.978568	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+ACN+Na"	64.015768
"1235525"	449.997168	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+ACN+Na"	64.015768
"1714570"	450.020693	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+NH4+HCOOH"	64.039293
"1187581"	151.649684666667	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+3Na"	68.967654
"1657478"	454.976088	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Na+HCOOH"	68.994688
"166527"	848.88184	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+2K-H"	76.91904
"610461"	1234.86324	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+2K-H"	76.91904
"1090598"	462.90044	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2K-H"	76.91904
"147419"	424.944558	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"2M+2K"	77.926316
"593541"	617.935258	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"3M+2K"	77.926316
"1074777"	231.953858	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2K"	77.926316
"1112361"	464.914992	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2K+H"	78.933592
"1349718"	465.002607	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+DMSO+H"	79.021207
"1019464"	469.041776	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2ACN+H"	83.060376
"1536495"	470.035408	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+IsoProp+Na+H"	84.054008
"999663"	235.024526	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+2ACN+2H"	84.067652
"1600727"	470.950028	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+K+HCOOH"	84.968628
"1422012"	500.981538	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+H+CF3COOH"	115.000138
"1152300"	255.537801	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+3ACN+2H"	125.094202
"1709508"	518.008085	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+NH4+CF3COOH"	132.026685
"1647344"	522.96348	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+Na+CF3COOH"	136.98208
"1581903"	538.93742	"C08082"	"Tioconazole"	"C16H13Cl3N2OS"	"385.9814"	"M+K+CF3COOH"	152.95602
"812270"	505.2247	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M"	0
"984711"	486.20631	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-H2O-H"	-19.01839
"68579"	335.809190666667	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M-3H"	-3.021828
"508138"	504.217424	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M-3H"	-3.021828
"882656"	167.400957333333	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-3H"	-3.021828
"4518"	504.217424	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M-2H"	-2.014552
"446266"	756.829774	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M-2H"	-2.014552
"820786"	251.605074	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-2H"	-2.014552
"80047"	1009.442124	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M-H"	-1.007276
"520702"	1514.666824	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M-H"	-1.007276
"896678"	504.217424	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-H"	-1.007276
"53610"	1026.468671	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M-2H+NH4"	16.019271
"492076"	1531.693371	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M-2H+NH4"	16.019271
"872066"	521.243971	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-2H+NH4"	16.019271
"43248"	1031.424066	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M-2H+Na"	20.974666
"476246"	1536.648766	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M-2H+Na"	20.974666
"856235"	526.199366	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-2H+Na"	20.974666
"1624678"	526.199366	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Na-2H"	20.974666
"96829"	522.205763	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M-H+Cl"	33.962126
"537488"	774.818113	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M-H+Cl"	33.962126
"927721"	269.593413	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-H+Cl"	33.962126
"276122"	1045.418802	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+Cl"	34.969402
"660003"	1550.643502	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+Cl"	34.969402
"1273119"	540.194102	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Cl"	34.969402
"18035"	1047.398006	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M-2H+K"	36.948606
"460876"	1552.622706	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M-2H+K"	36.948606
"838678"	542.173306	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-2H+K"	36.948606
"1562166"	542.173306	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+K-2H"	36.948606
"947134"	550.222894	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-H+HCOOH"	44.998194
"363892"	1055.447601	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+HCOOH-H"	44.998201
"348868"	1069.463251	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+Hac-H"	59.013851
"1495147"	564.238551	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Hac-H"	59.013851
"966334"	572.204851	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-H+NaCOOH"	66.980151
"110502"	540.194102	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+2Cl"	69.938804
"550792"	792.806452	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+2Cl"	69.938804
"1024696"	287.581752	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2Cl"	69.938804
"1251938"	584.143585	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Br"	78.918885
"1308553"	586.199572	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Cl+HCOOH"	80.974872
"1325323"	608.181529	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Cl+NaCOOH"	102.956829
"918569"	618.210286	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M-H+CF3COOH"	112.985586
"1288479"	654.186964	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Cl+CF3COOH"	148.962264
"1368332"	470.212024	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H-2H2O"	-35.012676
"1383398"	488.222	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H-H2O"	-17.0027
"289526"	1011.456676	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+H"	1.007276
"677938"	1516.681376	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+H"	1.007276
"1352219"	506.231976	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H"	1.007276
"132279"	506.231976	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+2H"	2.014552
"566492"	758.844326	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+2H"	2.014552
"1041006"	253.619626	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2H"	2.014552
"207815"	337.823742666667	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+3H"	3.021828
"646642"	506.231976	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+3H"	3.021828
"1167324"	169.415509333333	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+3H"	3.021828
"427314"	1028.483223	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+NH4"	18.033823
"787579"	1533.707923	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+NH4"	18.033823
"1685734"	523.258523	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+NH4"	18.033823
"331095"	514.7452495	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+H+NH4"	19.041099
"727529"	767.3575995	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+H+NH4"	19.041099
"1485726"	262.1328995	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H+NH4"	19.041099
"394199"	1033.438618	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+Na"	22.989218
"757747"	1538.663318	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+Na"	22.989218
"1605844"	528.213918	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Na"	22.989218
"314580"	517.222947	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+H+Na"	23.996494
"709396"	769.835297	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+H+Na"	23.996494
"1466500"	264.610597	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H+Na"	23.996494
"1056831"	176.742823333333	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2H+Na"	25.00377
"1261424"	538.258186	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+CH3OH+H"	33.033486
"383278"	1049.412558	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+K"	38.963158
"740266"	1554.637258	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+K"	38.963158
"1541957"	544.187858	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+K"	38.963158
"306788"	525.209917	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+H+K"	39.970434
"701397"	777.822267	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+H+K"	39.970434
"1458136"	272.597567	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H+K"	39.970434
"248199"	1052.483226	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+ACN+H"	42.033826
"1210702"	547.258526	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+ACN+H"	42.033826
"1197136"	274.132901	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+ACN+2H"	43.041102
"196565"	1055.42056	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+2Na-H"	44.97116
"632845"	1560.64526	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+2Na-H"	44.97116
"1141817"	550.19586	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2Na-H"	44.97116
"178547"	528.213918	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+2Na"	45.978436
"619562"	780.826268	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+2Na"	45.978436
"1124894"	275.601568	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2Na"	45.978436
"1405139"	184.070137333333	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H+2Na"	46.985712
"1438714"	552.237446	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H+HCOOH"	47.012746
"225857"	533.24694	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+3H2O+2H"	56.04448
"1516106"	566.28949	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+IsoProp+H"	61.06479
"414698"	536.200888	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+Na+K"	61.952376
"773510"	788.813238	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+Na+K"	61.952376
"1669840"	283.588538	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Na+K"	61.952376
"257454"	1074.465168	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+ACN+Na"	64.015768
"1226515"	569.240468	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+ACN+Na"	64.015768
"1714680"	569.263993	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+NH4+HCOOH"	64.039293
"1187690"	191.397451333333	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+3Na"	68.967654
"1659775"	574.219388	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Na+HCOOH"	68.994688
"166637"	1087.36844	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+2K-H"	76.91904
"609477"	1592.59314	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+2K-H"	76.91904
"1091802"	582.14374	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2K-H"	76.91904
"147529"	544.187858	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"2M+2K"	77.926316
"589277"	796.800208	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"3M+2K"	77.926316
"1074887"	291.575508	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2K"	77.926316
"1112471"	584.158292	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2K+H"	78.933592
"1348734"	584.245907	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+DMSO+H"	79.021207
"1020425"	588.285076	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2ACN+H"	83.060376
"1536605"	589.278708	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+IsoProp+Na+H"	84.054008
"999773"	294.646176	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+2ACN+2H"	84.067652
"1600837"	590.193328	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+K+HCOOH"	84.968628
"1422122"	620.224838	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+H+CF3COOH"	115.000138
"1150223"	315.159451	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+3ACN+2H"	125.094202
"1709618"	637.251385	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+NH4+CF3COOH"	132.026685
"1647454"	642.20678	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+Na+CF3COOH"	136.98208
"1582013"	658.18072	"C08086"	"Amprenavir"	"C25H35N3O6S"	"505.2247"	"M+K+CF3COOH"	152.95602
"812380"	552.1825	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M"	0
"984821"	533.16411	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-H2O-H"	-19.01839
"68690"	367.114390666667	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M-3H"	-3.021828
"511529"	551.175224	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M-3H"	-3.021828
"884955"	183.053557333333	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-3H"	-3.021828
"3528"	551.175224	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M-2H"	-2.014552
"446373"	827.266474	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M-2H"	-2.014552
"820894"	275.083974	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-2H"	-2.014552
"86355"	1103.357724	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M-H"	-1.007276
"525916"	1655.540224	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M-H"	-1.007276
"900439"	551.175224	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-H"	-1.007276
"53721"	1120.384271	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M-2H+NH4"	16.019271
"499720"	1672.566771	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M-2H+NH4"	16.019271
"874363"	568.201771	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-2H+NH4"	16.019271
"44696"	1125.339666	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M-2H+Na"	20.974666
"477450"	1677.522166	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M-2H+Na"	20.974666
"856346"	573.157166	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-2H+Na"	20.974666
"1624788"	573.157166	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Na-2H"	20.974666
"99127"	569.163563	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M-H+Cl"	33.962126
"539785"	845.254813	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M-H+Cl"	33.962126
"930018"	293.072313	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-H+Cl"	33.962126
"276232"	1139.334402	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+Cl"	34.969402
"661361"	1691.516902	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+Cl"	34.969402
"1272868"	587.151902	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Cl"	34.969402
"17173"	1141.313606	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M-2H+K"	36.948606
"460986"	1693.496106	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M-2H+K"	36.948606
"838788"	589.131106	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-2H+K"	36.948606
"1562276"	589.131106	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+K-2H"	36.948606
"947608"	597.180694	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-H+HCOOH"	44.998194
"364731"	1149.363201	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+HCOOH-H"	44.998201
"348978"	1163.378851	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+Hac-H"	59.013851
"1495625"	611.196351	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Hac-H"	59.013851
"965351"	619.162651	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-H+NaCOOH"	66.980151
"112436"	587.151902	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+2Cl"	69.938804
"552726"	863.243152	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+2Cl"	69.938804
"1024806"	311.060652	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2Cl"	69.938804
"1250953"	631.101385	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Br"	78.918885
"1308298"	633.157372	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Cl+HCOOH"	80.974872
"1322879"	655.139329	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Cl+NaCOOH"	102.956829
"917586"	665.168086	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M-H+CF3COOH"	112.985586
"1289917"	701.144764	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Cl+CF3COOH"	148.962264
"1372452"	517.169824	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H-2H2O"	-35.012676
"1389949"	535.1798	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H-H2O"	-17.0027
"290728"	1105.372276	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+H"	1.007276
"676223"	1657.554776	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+H"	1.007276
"1355126"	553.189776	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H"	1.007276
"129109"	553.189776	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+2H"	2.014552
"567939"	829.281026	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+2H"	2.014552
"1039290"	277.098526	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2H"	2.014552
"207561"	369.128942666667	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+3H"	3.021828
"646025"	553.189776	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+3H"	3.021828
"1169620"	185.068109333333	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+3H"	3.021828
"428518"	1122.398823	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+NH4"	18.033823
"792793"	1674.581323	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+NH4"	18.033823
"1685844"	570.216323	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+NH4"	18.033823
"333027"	561.7030495	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+H+NH4"	19.041099
"728732"	837.7942995	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+H+NH4"	19.041099
"1482557"	285.6117995	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H+NH4"	19.041099
"395767"	1127.354218	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+Na"	22.989218
"755669"	1679.536718	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+Na"	22.989218
"1605954"	575.171718	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Na"	22.989218
"314771"	564.180747	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+H+Na"	23.996494
"708413"	840.271997	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+H+Na"	23.996494
"1467703"	288.089497	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H+Na"	23.996494
"1059856"	192.395423333333	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2H+Na"	25.00377
"1263720"	585.215986	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+CH3OH+H"	33.033486
"383388"	1143.328158	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+K"	38.963158
"746573"	1695.510658	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+K"	38.963158
"1547535"	591.145658	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+K"	38.963158
"308721"	572.167717	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+H+K"	39.970434
"704423"	848.258967	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+H+K"	39.970434
"1458977"	296.076467	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H+K"	39.970434
"250255"	1146.398826	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+ACN+H"	42.033826
"1212271"	594.216326	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+ACN+H"	42.033826
"1198339"	297.611801	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+ACN+2H"	43.041102
"198861"	1149.33616	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+2Na-H"	44.97116
"637328"	1701.51866	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+2Na-H"	44.97116
"1141927"	597.15366	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2Na-H"	44.97116
"183030"	575.171718	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+2Na"	45.978436
"624049"	851.262968	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+2Na"	45.978436
"1126465"	299.080468	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2Na"	45.978436
"1406345"	199.722737333333	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H+2Na"	46.985712
"1438096"	599.195246	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H+HCOOH"	47.012746
"225968"	580.20474	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+3H2O+2H"	56.04448
"1515853"	613.24729	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+IsoProp+H"	61.06479
"415538"	583.158688	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+Na+K"	61.952376
"776898"	859.249938	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+Na+K"	61.952376
"1673227"	307.067438	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Na+K"	61.952376
"257563"	1168.380768	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+ACN+Na"	64.015768
"1227722"	616.198268	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+ACN+Na"	64.015768
"1718070"	616.221793	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+NH4+HCOOH"	64.039293
"1187800"	207.050051333333	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+3Na"	68.967654
"1662071"	621.177188	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Na+HCOOH"	68.994688
"171120"	1181.28404	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+2K-H"	76.91904
"611653"	1733.46654	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+2K-H"	76.91904
"1094097"	629.10154	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2K-H"	76.91904
"144358"	591.145658	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"2M+2K"	77.926316
"588294"	867.236908	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"3M+2K"	77.926316
"1080463"	315.054408	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2K"	77.926316
"1108204"	631.116092	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2K+H"	78.933592
"1345685"	631.203707	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+DMSO+H"	79.021207
"1017497"	635.242876	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2ACN+H"	83.060376
"1536715"	636.236508	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+IsoProp+Na+H"	84.054008
"997696"	318.125076	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+2ACN+2H"	84.067652
"1600947"	637.151128	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+K+HCOOH"	84.968628
"1422232"	667.182638	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+H+CF3COOH"	115.000138
"1150333"	338.638351	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+3ACN+2H"	125.094202
"1709728"	684.209185	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+NH4+CF3COOH"	132.026685
"1647564"	689.16458	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+Na+CF3COOH"	136.98208
"1582123"	705.13852	"C08087"	"Delavirdine mesylate;Delavirdine mesilate"	"C22H28N6O3SCH4SO3"	"552.1825"	"M+K+CF3COOH"	152.95602
"805932"	315.0274	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M"	0
"974507"	296.00901	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-H2O-H"	-19.01839
"65519"	209.010990666667	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M-3H"	-3.021828
"503495"	314.020124	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M-3H"	-3.021828
"880808"	104.001857333333	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-3H"	-3.021828
"1577"	314.020124	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M-2H"	-2.014552
"445391"	471.533824	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M-2H"	-2.014552
"823194"	156.506424	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-2H"	-2.014552
"83184"	629.047524	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M-H"	-1.007276
"520923"	944.074924	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M-H"	-1.007276
"899815"	314.020124	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-H"	-1.007276
"50552"	646.074071	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M-2H+NH4"	16.019271
"495582"	961.101471	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M-2H+NH4"	16.019271
"870103"	331.046671	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-2H+NH4"	16.019271
"36910"	651.029466	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M-2H+Na"	20.974666
"473193"	966.056866	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M-2H+Na"	20.974666
"849901"	336.002066	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-2H+Na"	20.974666
"1621620"	336.002066	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Na-2H"	20.974666
"98150"	332.008463	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M-H+Cl"	33.962126
"539898"	489.522163	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M-H+Cl"	33.962126
"930133"	174.494763	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-H+Cl"	33.962126
"269784"	665.024202	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+Cl"	34.969402
"666579"	980.051602	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+Cl"	34.969402
"1281170"	349.996802	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Cl"	34.969402
"22634"	667.003406	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M-2H+K"	36.948606
"457941"	982.030806	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M-2H+K"	36.948606
"835623"	351.976006	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-2H+K"	36.948606
"1557044"	351.976006	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+K-2H"	36.948606
"945899"	360.025594	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-H+HCOOH"	44.998194
"363384"	675.053001	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+HCOOH-H"	44.998201
"346900"	689.068651	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+Hac-H"	59.013851
"1500110"	374.041251	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Hac-H"	59.013851
"959632"	382.007551	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-H+NaCOOH"	66.980151
"110849"	349.996802	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+2Cl"	69.938804
"551381"	507.510502	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+2Cl"	69.938804
"1022729"	192.483102	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2Cl"	69.938804
"1242311"	393.946285	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Br"	78.918885
"1310596"	396.002272	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Cl+HCOOH"	80.974872
"1323357"	417.984229	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Cl+NaCOOH"	102.956829
"913684"	428.012986	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M-H+CF3COOH"	112.985586
"1289659"	463.989664	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Cl+CF3COOH"	148.962264
"1367618"	280.014724	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H-2H2O"	-35.012676
"1383738"	298.0247	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H-H2O"	-17.0027
"285733"	631.062076	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+H"	1.007276
"678518"	946.089476	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+H"	1.007276
"1353046"	316.034676	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H"	1.007276
"128488"	316.034676	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+2H"	2.014552
"568784"	473.548376	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+2H"	2.014552
"1038794"	158.520976	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2H"	2.014552
"209859"	211.025542666667	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+3H"	3.021828
"652699"	316.034676	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+3H"	3.021828
"1167543"	106.016409333333	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+3H"	3.021828
"429723"	648.088623	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+NH4"	18.033823
"792903"	963.116023	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+NH4"	18.033823
"1684860"	333.061223	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+NH4"	18.033823
"335333"	324.5479495	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+H+NH4"	19.041099
"728845"	482.0616495	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+H+NH4"	19.041099
"1484855"	167.0342495	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H+NH4"	19.041099
"401348"	653.044018	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+Na"	22.989218
"760153"	968.071418	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+Na"	22.989218
"1609346"	338.016618	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Na"	22.989218
"318287"	327.025647	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+H+Na"	23.996494
"708644"	484.539347	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+H+Na"	23.996494
"1465619"	169.511947	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H+Na"	23.996494
"1058872"	113.343723333333	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2H+Na"	25.00377
"1262734"	348.060886	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+CH3OH+H"	33.033486
"382408"	669.017958	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+K"	38.963158
"742312"	984.045358	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+K"	38.963158
"1548739"	353.990558	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+K"	38.963158
"314066"	335.012617	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+H+K"	39.970434
"705268"	492.526317	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+H+K"	39.970434
"1458357"	177.498917	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H+K"	39.970434
"245140"	672.088626	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+ACN+H"	42.033826
"1217847"	357.061226	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+ACN+H"	42.033826
"1200635"	179.034251	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+ACN+2H"	43.041102
"202375"	675.02596	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+2Na-H"	44.97116
"636345"	990.05336	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+2Na-H"	44.97116
"1142039"	359.99856	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2Na-H"	44.97116
"184964"	338.016618	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+2Na"	45.978436
"620516"	495.530318	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+2Na"	45.978436
"1127305"	180.502918	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2Na"	45.978436
"1410829"	120.671037333333	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H+2Na"	46.985712
"1438934"	362.040146	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H+HCOOH"	47.012746
"231911"	343.04964	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+3H2O+2H"	56.04448
"1516326"	376.09219	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+IsoProp+H"	61.06479
"417112"	346.003588	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+Na+K"	61.952376
"778107"	503.517288	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+Na+K"	61.952376
"1674073"	188.489888	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Na+K"	61.952376
"258771"	694.070568	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+ACN+Na"	64.015768
"1233669"	379.043168	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+ACN+Na"	64.015768
"1718180"	379.066693	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+NH4+HCOOH"	64.039293
"1187910"	127.998351333333	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+3Na"	68.967654
"1658901"	384.022088	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Na+HCOOH"	68.994688
"166856"	706.97384	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+2K-H"	76.91904
"607510"	1022.00124	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+2K-H"	76.91904
"1094207"	391.94644	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2K-H"	76.91904
"149934"	353.990558	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"2M+2K"	77.926316
"588404"	511.504258	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"3M+2K"	77.926316
"1078386"	196.476858	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2K"	77.926316
"1108314"	393.960992	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2K+H"	78.933592
"1342515"	394.048607	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+DMSO+H"	79.021207
"1017607"	398.087776	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2ACN+H"	83.060376
"1525160"	399.081408	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+IsoProp+Na+H"	84.054008
"991608"	199.547526	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+2ACN+2H"	84.067652
"1594496"	399.996028	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+K+HCOOH"	84.968628
"1422342"	430.027538	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+H+CF3COOH"	115.000138
"1150443"	220.060801	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+3ACN+2H"	125.094202
"1709838"	447.054085	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+NH4+CF3COOH"	132.026685
"1647674"	452.00948	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+Na+CF3COOH"	136.98208
"1582233"	467.98342	"C08088"	"Efavirenz"	"C14H9ClF3NO2"	"315.0274"	"M+K+CF3COOH"	152.95602
"808229"	711.3302	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M"	0
"979575"	692.31181	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-H2O-H"	-19.01839
"68909"	473.212857333333	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M-3H"	-3.021828
"503605"	710.322924	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M-3H"	-3.021828
"880797"	236.102790666667	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-3H"	-3.021828
"1566"	710.322924	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M-2H"	-2.014552
"443314"	1065.988024	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M-2H"	-2.014552
"822208"	354.657824	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-2H"	-2.014552
"82198"	1421.653124	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M-H"	-1.007276
"522855"	2132.983324	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M-H"	-1.007276
"899926"	710.322924	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-H"	-1.007276
"51022"	1438.679671	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M-2H+NH4"	16.019271
"495693"	2150.009871	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M-2H+NH4"	16.019271
"870213"	727.349471	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-2H+NH4"	16.019271
"35927"	1443.635066	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M-2H+Na"	20.974666
"474396"	2154.965266	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M-2H+Na"	20.974666
"849400"	732.304866	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-2H+Na"	20.974666
"1619544"	732.304866	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Na-2H"	20.974666
"96074"	728.311263	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M-H+Cl"	33.962126
"536728"	1083.976363	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M-H+Cl"	33.962126
"930243"	372.646163	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-H+Cl"	33.962126
"273174"	1457.629802	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+Cl"	34.969402
"660976"	2168.960002	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+Cl"	34.969402
"1280186"	746.299602	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Cl"	34.969402
"23837"	1459.609006	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M-2H+K"	36.948606
"458051"	2170.939206	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M-2H+K"	36.948606
"835733"	748.278806	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-2H+K"	36.948606
"1555734"	748.278806	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+K-2H"	36.948606
"946009"	756.328394	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-H+HCOOH"	44.998194
"364588"	1467.658601	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+HCOOH-H"	44.998201
"347738"	1481.674251	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+Hac-H"	59.013851
"1495846"	770.344051	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Hac-H"	59.013851
"960106"	778.310351	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-H+NaCOOH"	66.980151
"113754"	746.299602	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+2Cl"	69.938804
"551491"	1101.964702	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+2Cl"	69.938804
"1022596"	390.634502	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2Cl"	69.938804
"1243150"	790.249085	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Br"	78.918885
"1309613"	792.305072	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Cl+HCOOH"	80.974872
"1321644"	814.287029	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Cl+NaCOOH"	102.956829
"913430"	824.315786	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M-H+CF3COOH"	112.985586
"1290862"	860.292464	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Cl+CF3COOH"	148.962264
"1370482"	676.317524	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H-2H2O"	-35.012676
"1383078"	694.3275	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H-H2O"	-17.0027
"284384"	1423.667676	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+H"	1.007276
"677172"	2134.997876	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+H"	1.007276
"1355346"	712.337476	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H"	1.007276
"127505"	712.337476	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+2H"	2.014552
"567434"	1068.002576	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+2H"	2.014552
"1040607"	356.672376	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2H"	2.014552
"205838"	475.227409333333	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+3H"	3.021828
"649530"	712.337476	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+3H"	3.021828
"1167655"	238.117342666667	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+3H"	3.021828
"428740"	1440.694223	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+NH4"	18.033823
"791922"	2152.024423	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+NH4"	18.033823
"1687521"	729.364023	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+NH4"	18.033823
"334350"	720.8507495	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+H+NH4"	19.041099
"727862"	1076.5158495	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+H+NH4"	19.041099
"1483872"	365.1856495	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H+NH4"	19.041099
"400365"	1445.649618	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+Na"	22.989218
"760263"	2156.979818	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+Na"	22.989218
"1606176"	734.319418	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Na"	22.989218
"319490"	723.328447	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+H+Na"	23.996494
"709361"	1078.993547	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+H+Na"	23.996494
"1466824"	367.663347	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H+Na"	23.996494
"1056795"	245.444656666667	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2H+Na"	25.00377
"1261022"	744.363686	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+CH3OH+H"	33.033486
"380331"	1461.623558	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+K"	38.963158
"740960"	2172.953758	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+K"	38.963158
"1544475"	750.293358	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+K"	38.963158
"313732"	731.315417	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+H+K"	39.970434
"706840"	1086.980517	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+H+K"	39.970434
"1460616"	375.650317	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H+K"	39.970434
"245250"	1464.694226	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+ACN+H"	42.033826
"1213583"	753.364026	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+ACN+H"	42.033826
"1198921"	377.185651	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+ACN+2H"	43.041102
"202363"	1467.63156	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+2Na-H"	44.97116
"639736"	2178.96176	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+2Na-H"	44.97116
"1137045"	756.30136	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2Na-H"	44.97116
"183251"	734.319418	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+2Na"	45.978436
"618803"	1089.984518	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+2Na"	45.978436
"1123037"	378.654318	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2Na"	45.978436
"1406561"	252.771970666667	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H+2Na"	46.985712
"1436491"	758.342946	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H+HCOOH"	47.012746
"230926"	739.35244	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+3H2O+2H"	56.04448
"1514248"	772.39499	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+IsoProp+H"	61.06479
"419039"	742.306388	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+Na+K"	61.952376
"782587"	1097.971488	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+Na+K"	61.952376
"1672720"	386.641288	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Na+K"	61.952376
"261068"	1486.676168	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+ACN+Na"	64.015768
"1235602"	775.345968	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+ACN+Na"	64.015768
"1718290"	775.369493	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+NH4+HCOOH"	64.039293
"1185834"	260.099284666667	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+3Na"	68.967654
"1662291"	780.324888	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Na+HCOOH"	68.994688
"169153"	1499.57944	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+2K-H"	76.91904
"611994"	2210.90964	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+2K-H"	76.91904
"1093224"	788.24924	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2K-H"	76.91904
"146764"	750.293358	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"2M+2K"	77.926316
"588514"	1105.958458	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"3M+2K"	77.926316
"1081775"	394.628258	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2K"	77.926316
"1108424"	790.263792	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2K+H"	78.933592
"1342624"	790.351407	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+DMSO+H"	79.021207
"1014436"	794.390576	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2ACN+H"	83.060376
"1525390"	795.384208	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+IsoProp+Na+H"	84.054008
"991354"	397.698926	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+2ACN+2H"	84.067652
"1595699"	796.298828	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+K+HCOOH"	84.968628
"1422452"	826.330338	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+H+CF3COOH"	115.000138
"1150553"	418.212201	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+3ACN+2H"	125.094202
"1709948"	843.356885	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+NH4+CF3COOH"	132.026685
"1644504"	848.31228	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+Na+CF3COOH"	136.98208
"1582343"	864.28622	"C08089"	"Indinavir sulfate"	"C36H47N5O4H2SO4"	"711.3302"	"M+K+CF3COOH"	152.95602
"808339"	266.1307	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M"	0
"976405"	247.11231	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"69019"	176.413190666667	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"504204"	265.123424	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"880053"	87.7029573333333	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"3862"	265.123424	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"444518"	398.188774	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"822319"	132.058074	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"85588"	531.254124	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"525151"	797.384824	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"902952"	265.123424	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"50768"	548.280671	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"495802"	814.411371	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"868136"	282.149971	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"34944"	553.236066	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"475599"	819.366766	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"848942"	287.105366	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1620747"	287.105366	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"96184"	283.111763	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"536838"	416.177113	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"932540"	150.046413	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"273284"	567.230802	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"663518"	833.361502	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1277016"	301.100102	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"17629"	569.210006	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"459132"	835.340706	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"833201"	303.079306	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1556166"	303.079306	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"945021"	311.128894	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"363236"	577.259601	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"347848"	591.275251	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1498140"	325.144551	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"965683"	333.110851	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"111677"	301.100102	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"551965"	434.165452	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1023316"	168.034752	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1243261"	345.049585	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1311545"	347.105572	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1321754"	369.087529	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"911713"	379.116286	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1292430"	415.092964	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1370956"	231.118024	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1383716"	249.128	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"287774"	533.268676	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"678010"	799.399376	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1353631"	267.137976	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"128342"	267.137976	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"567907"	400.203326	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1040716"	134.072626	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"211171"	178.427742666667	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"650734"	267.137976	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1171045"	89.7175093333333	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"435410"	550.295223	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"798591"	816.425923	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1693829"	284.164523	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"342476"	275.6512495	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"727968"	408.7165995	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1480696"	142.5858995	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"396097"	555.250618	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"760372"	821.381318	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1609563"	289.119918	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"320694"	278.128947	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"714209"	411.194297	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1465841"	145.063597	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1057994"	97.0448233333333	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1267329"	299.164186	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"383718"	571.224558	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"746901"	837.355258	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1546768"	305.093858	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"302123"	286.115917	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"696367"	419.181267	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1459670"	153.050567	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"247546"	574.295226	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1222076"	308.164526	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1198672"	154.585901	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"200286"	577.23256	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"633285"	843.36326	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1134604"	311.10186	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"176801"	289.119918	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"615631"	422.185268	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1118774"	156.054568	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1405578"	104.372137333333	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1436602"	313.143446	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"225204"	294.15294	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1510712"	327.19549	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"415140"	297.106888	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"775041"	430.172238	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1674656"	164.041538	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"263367"	596.277168	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1230609"	330.146468	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1717307"	330.169993	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1187037"	111.699451333333	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1662037"	335.125388	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"167076"	609.18044	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"605543"	875.31114	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1093334"	343.04974	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"150154"	305.093858	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"588624"	438.159208	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1074231"	172.028508	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1108533"	345.064292	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1342734"	345.151907	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1009077"	349.191076	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1525500"	350.184708	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"993650"	175.099176	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1592528"	351.099328	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1422562"	381.130838	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1152850"	195.612451	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1711151"	398.157385	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1644614"	403.11278	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1582453"	419.08672	"C08090"	"Dienestrol;Dehydrostilbestrol"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"809542"	663.3012	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M"	0
"976515"	644.28281	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-H2O-H"	-19.01839
"69129"	441.193524	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M-3H"	-3.021828
"504313"	662.293924	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M-3H"	-3.021828
"880292"	220.093124	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-3H"	-3.021828
"1783"	662.293924	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M-2H"	-2.014552
"446813"	993.944524	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M-2H"	-2.014552
"822429"	330.643324	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-2H"	-2.014552
"84605"	1325.595124	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M-H"	-1.007276
"524167"	1988.896324	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M-H"	-1.007276
"900875"	662.293924	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-H"	-1.007276
"49421"	1342.621671	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M-2H+NH4"	16.019271
"490444"	2005.922871	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M-2H+NH4"	16.019271
"868246"	679.320471	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-2H+NH4"	16.019271
"35054"	1347.577066	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M-2H+Na"	20.974666
"471575"	2010.878266	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M-2H+Na"	20.974666
"848581"	684.275866	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-2H+Na"	20.974666
"1620858"	684.275866	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Na-2H"	20.974666
"101762"	680.282263	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M-H+Cl"	33.962126
"540228"	1011.932863	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M-H+Cl"	33.962126
"932651"	348.631663	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-H+Cl"	33.962126
"276674"	1361.571802	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+Cl"	34.969402
"666909"	2024.873002	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+Cl"	34.969402
"1280406"	698.270602	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Cl"	34.969402
"20777"	1363.551006	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M-2H+K"	36.948606
"458151"	2026.852206	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M-2H+K"	36.948606
"833882"	700.249806	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-2H+K"	36.948606
"1557252"	700.249806	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+K-2H"	36.948606
"947318"	708.299394	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-H+HCOOH"	44.998194
"364805"	1371.600601	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+HCOOH-H"	44.998201
"349417"	1385.616251	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+Hac-H"	59.013851
"1502625"	722.315051	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Hac-H"	59.013851
"965794"	730.281351	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-H+NaCOOH"	66.980151
"113973"	698.270602	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+2Cl"	69.938804
"555357"	1029.921202	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+2Cl"	69.938804
"1030716"	366.620002	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2Cl"	69.938804
"1244099"	742.220085	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Br"	78.918885
"1311655"	744.276072	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Cl+HCOOH"	80.974872
"1322594"	766.258029	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Cl+NaCOOH"	102.956829
"914380"	776.286786	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M-H+CF3COOH"	112.985586
"1289627"	812.263464	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Cl+CF3COOH"	148.962264
"1375081"	628.288524	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H-2H2O"	-35.012676
"1393671"	646.2985	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H-H2O"	-17.0027
"287889"	1327.609676	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+H"	1.007276
"679215"	1990.910876	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+H"	1.007276
"1357753"	664.308476	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H"	1.007276
"130641"	664.308476	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+2H"	2.014552
"566926"	995.959076	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+2H"	2.014552
"1043379"	332.657876	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2H"	2.014552
"213468"	443.208076	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+3H"	3.021828
"654124"	664.308476	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+3H"	3.021828
"1175166"	222.107676	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+3H"	3.021828
"436616"	1344.636223	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+NH4"	18.033823
"798705"	2007.937423	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+NH4"	18.033823
"1691752"	681.335023	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+NH4"	18.033823
"341856"	672.8217495	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+H+NH4"	19.041099
"729174"	1004.4723495	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+H+NH4"	19.041099
"1481169"	341.1711495	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H+NH4"	19.041099
"397301"	1349.591618	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+Na"	22.989218
"760482"	2012.892818	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+Na"	22.989218
"1609674"	686.290418	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Na"	22.989218
"322990"	675.299447	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+H+Na"	23.996494
"713224"	1006.950047	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+H+Na"	23.996494
"1463767"	343.648847	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H+Na"	23.996494
"1058105"	229.43499	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2H+Na"	25.00377
"1264159"	696.334686	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+CH3OH+H"	33.033486
"380548"	1365.565558	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+K"	38.963158
"744824"	2028.866758	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+K"	38.963158
"1542869"	702.264358	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+K"	38.963158
"301869"	683.286417	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+H+K"	39.970434
"694291"	1014.937017	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+H+K"	39.970434
"1460755"	351.635817	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H+K"	39.970434
"246561"	1368.636226	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+ACN+H"	42.033826
"1221454"	705.335026	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+ACN+H"	42.033826
"1199873"	353.171151	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+ACN+2H"	43.041102
"194928"	1371.57356	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+2Na-H"	44.97116
"637768"	2034.87476	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+2Na-H"	44.97116
"1139090"	708.27236	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2Na-H"	44.97116
"179100"	686.290418	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+2Na"	45.978436
"617566"	1017.941018	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+2Na"	45.978436
"1117792"	354.639818	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2Na"	45.978436
"1403499"	236.762304	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H+2Na"	46.985712
"1433431"	710.313946	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H+HCOOH"	47.012746
"227501"	691.32344	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+3H2O+2H"	56.04448
"1512280"	724.36599	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+IsoProp+H"	61.06479
"415251"	694.277388	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+Na+K"	61.952376
"774058"	1025.927988	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+Na+K"	61.952376
"1674766"	362.626788	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Na+K"	61.952376
"264575"	1390.618168	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+ACN+Na"	64.015768
"1230719"	727.316968	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+ACN+Na"	64.015768
"1722885"	727.340493	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+NH4+HCOOH"	64.039293
"1184959"	244.089618	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+3Na"	68.967654
"1662510"	732.295888	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Na+HCOOH"	68.994688
"166092"	1403.52144	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+2K-H"	76.91904
"603466"	2066.82264	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+2K-H"	76.91904
"1091257"	740.22024	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2K-H"	76.91904
"150264"	702.264358	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"2M+2K"	77.926316
"590918"	1033.914958	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"3M+2K"	77.926316
"1081993"	370.613758	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2K"	77.926316
"1105363"	742.234792	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2K+H"	78.933592
"1339563"	742.322407	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+DMSO+H"	79.021207
"1008093"	746.361576	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2ACN+H"	83.060376
"1525123"	747.355208	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+IsoProp+Na+H"	84.054008
"991202"	373.684426	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+2ACN+2H"	84.067652
"1587533"	748.269828	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+K+HCOOH"	84.968628
"1417205"	778.301338	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+H+CF3COOH"	115.000138
"1152960"	394.197701	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+3ACN+2H"	125.094202
"1704699"	795.327885	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+NH4+CF3COOH"	132.026685
"1644724"	800.28328	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+Na+CF3COOH"	136.98208
"1573815"	816.25722	"C08091"	"Nelfinavir mesylate;Nelfinavir mesilate"	"C32H45N3O4SCH4SO3"	"663.3012"	"M+K+CF3COOH"	152.95602
"809652"	312.2049	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M"	0
"976625"	293.18651	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-H2O-H"	-19.01839
"65959"	207.129324	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M-3H"	-3.021828
"503326"	311.197624	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M-3H"	-3.021828
"880483"	103.061024	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-3H"	-3.021828
"800"	311.197624	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M-2H"	-2.014552
"442551"	467.300074	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M-2H"	-2.014552
"819260"	155.095174	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-2H"	-2.014552
"80341"	623.402524	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M-H"	-1.007276
"519539"	935.607424	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M-H"	-1.007276
"898069"	311.197624	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-H"	-1.007276
"48191"	640.429071	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M-2H+NH4"	16.019271
"490554"	952.633971	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M-2H+NH4"	16.019271
"871639"	328.224171	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-2H+NH4"	16.019271
"35164"	645.384466	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M-2H+Na"	20.974666
"472659"	957.589366	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M-2H+Na"	20.974666
"848615"	333.179566	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-2H+Na"	20.974666
"1623155"	333.179566	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Na-2H"	20.974666
"101872"	329.185963	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M-H+Cl"	33.962126
"541432"	485.288413	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M-H+Cl"	33.962126
"932761"	173.083513	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-H+Cl"	33.962126
"276784"	659.379202	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+Cl"	34.969402
"667019"	971.584102	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+Cl"	34.969402
"1277235"	347.174302	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Cl"	34.969402
"17606"	661.358406	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M-2H+K"	36.948606
"460448"	973.563306	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M-2H+K"	36.948606
"833221"	349.153506	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-2H+K"	36.948606
"1556631"	349.153506	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+K-2H"	36.948606
"946334"	357.203094	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-H+HCOOH"	44.998194
"363822"	669.408001	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+HCOOH-H"	44.998201
"349891"	683.423651	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+Hac-H"	59.013851
"1502735"	371.218751	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Hac-H"	59.013851
"962623"	379.185051	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-H+NaCOOH"	66.980151
"113719"	347.174302	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+2Cl"	69.938804
"552187"	503.276752	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+2Cl"	69.938804
"1022684"	191.071852	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2Cl"	69.938804
"1242382"	391.123785	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Br"	78.918885
"1306294"	393.179772	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Cl+HCOOH"	80.974872
"1323068"	415.161729	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Cl+NaCOOH"	102.956829
"915220"	425.190486	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M-H+CF3COOH"	112.985586
"1288645"	461.167164	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Cl+CF3COOH"	148.962264
"1375191"	277.192224	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H-2H2O"	-35.012676
"1391593"	295.2022	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H-H2O"	-17.0027
"286906"	625.417076	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+H"	1.007276
"680419"	937.621976	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+H"	1.007276
"1356770"	313.212176	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H"	1.007276
"130752"	313.212176	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+2H"	2.014552
"570317"	469.314626	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+2H"	2.014552
"1047864"	157.109726	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2H"	2.014552
"212484"	209.143876	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+3H"	3.021828
"653870"	313.212176	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+3H"	3.021828
"1174546"	105.075576	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+3H"	3.021828
"435997"	642.443623	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+NH4"	18.033823
"799179"	954.648523	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+NH4"	18.033823
"1693685"	330.238723	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+NH4"	18.033823
"341966"	321.7254495	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+H+NH4"	19.041099
"729284"	477.8278995	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+H+NH4"	19.041099
"1483103"	165.6229995	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H+NH4"	19.041099
"399598"	647.399018	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+Na"	22.989218
"760592"	959.603918	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+Na"	22.989218
"1610878"	335.194118	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Na"	22.989218
"322009"	324.203147	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+H+Na"	23.996494
"713334"	480.305597	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+H+Na"	23.996494
"1471167"	168.100697	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H+Na"	23.996494
"1063684"	112.40289	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2H+Na"	25.00377
"1264268"	345.238386	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+CH3OH+H"	33.033486
"381752"	663.372958	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+K"	38.963158
"747121"	975.577858	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+K"	38.963158
"1549176"	351.168058	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+K"	38.963158
"303072"	332.190117	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+H+K"	39.970434
"696587"	488.292567	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+H+K"	39.970434
"1458066"	176.087667	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H+K"	39.970434
"246672"	666.443626	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+ACN+H"	42.033826
"1220472"	354.238726	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+ACN+H"	42.033826
"1202171"	177.623001	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+ACN+2H"	43.041102
"191761"	669.38096	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+2Na-H"	44.97116
"635692"	981.58586	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+2Na-H"	44.97116
"1137013"	357.17606	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2Na-H"	44.97116
"179210"	335.194118	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+2Na"	45.978436
"616583"	491.296568	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+2Na"	45.978436
"1117901"	179.091668	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2Na"	45.978436
"1400329"	119.730204	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H+2Na"	46.985712
"1433541"	359.217646	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H+HCOOH"	47.012746
"223239"	340.22714	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+3H2O+2H"	56.04448
"1509112"	373.26969	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+IsoProp+H"	61.06479
"413175"	343.181088	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+Na+K"	61.952376
"771982"	499.283538	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+Na+K"	61.952376
"1674876"	187.078638	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Na+K"	61.952376
"264316"	688.425568	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+ACN+Na"	64.015768
"1233016"	376.220668	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+ACN+Na"	64.015768
"1721902"	376.244193	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+NH4+HCOOH"	64.039293
"1186162"	127.057518	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+3Na"	68.967654
"1662256"	381.199588	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Na+HCOOH"	68.994688
"165109"	701.32884	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+2K-H"	76.91904
"602483"	1013.53374	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+2K-H"	76.91904
"1090274"	389.12394	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2K-H"	76.91904
"150374"	351.168058	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"2M+2K"	77.926316
"591028"	507.270508	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"3M+2K"	77.926316
"1072257"	195.065608	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2K"	77.926316
"1110939"	391.138492	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2K+H"	78.933592
"1337486"	391.226107	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+DMSO+H"	79.021207
"1006259"	395.265276	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2ACN+H"	83.060376
"1526329"	396.258908	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+IsoProp+Na+H"	84.054008
"990951"	198.136276	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+2ACN+2H"	84.067652
"1587402"	397.173528	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+K+HCOOH"	84.968628
"1417315"	427.205038	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+H+CF3COOH"	115.000138
"1150884"	218.649551	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+3ACN+2H"	125.094202
"1708090"	444.231585	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+NH4+CF3COOH"	132.026685
"1643741"	449.18698	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+Na+CF3COOH"	136.98208
"1573925"	465.16092	"C08092"	"Oseltamivir"	"C16H28N2O4"	"312.2049"	"M+K+CF3COOH"	152.95602
"811949"	410.1818	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M"	0
"983294"	391.16341	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-H2O-H"	-19.01839
"72629"	272.447257333333	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M-3H"	-3.021828
"506724"	409.174524	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M-3H"	-3.021828
"884523"	135.719990666667	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-3H"	-3.021828
"302"	409.174524	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M-2H"	-2.014552
"443754"	614.265424	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M-2H"	-2.014552
"820459"	204.083624	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-2H"	-2.014552
"79847"	819.356324	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M-H"	-1.007276
"521110"	1229.538124	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M-H"	-1.007276
"897205"	409.174524	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-H"	-1.007276
"47939"	836.382871	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M-2H+NH4"	16.019271
"488226"	1246.564671	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M-2H+NH4"	16.019271
"867373"	426.201071	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-2H+NH4"	16.019271
"35273"	841.338266	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M-2H+Na"	20.974666
"474836"	1251.520066	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M-2H+Na"	20.974666
"848594"	431.156466	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-2H+Na"	20.974666
"1625453"	431.156466	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Na-2H"	20.974666
"95541"	427.162863	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M-H+Cl"	33.962126
"536075"	632.253763	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M-H+Cl"	33.962126
"932870"	222.071963	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-H+Cl"	33.962126
"276894"	855.333002	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+Cl"	34.969402
"667129"	1265.514802	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+Cl"	34.969402
"1275157"	445.151202	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Cl"	34.969402
"24276"	857.312206	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M-2H+K"	36.948606
"461650"	1267.494006	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M-2H+K"	36.948606
"835075"	447.130406	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-2H+K"	36.948606
"1565123"	447.130406	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+K-2H"	36.948606
"946444"	455.179994	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-H+HCOOH"	44.998194
"365754"	865.361801	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+HCOOH-H"	44.998201
"354015"	879.377451	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+Hac-H"	59.013851
"1495555"	469.195651	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Hac-H"	59.013851
"963827"	477.161951	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-H+NaCOOH"	66.980151
"112371"	445.151202	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+2Cl"	69.938804
"551565"	650.242102	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+2Cl"	69.938804
"1025108"	240.060302	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2Cl"	69.938804
"1252345"	489.100685	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Br"	78.918885
"1310784"	491.156672	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Cl+HCOOH"	80.974872
"1331560"	513.138629	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Cl+NaCOOH"	102.956829
"923711"	523.167386	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M-H+CF3COOH"	112.985586
"1289486"	559.144064	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Cl+CF3COOH"	148.962264
"1371657"	375.169124	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H-2H2O"	-35.012676
"1393892"	393.1791	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H-H2O"	-17.0027
"291390"	821.370876	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+H"	1.007276
"679802"	1231.552676	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+H"	1.007276
"1355061"	411.189076	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H"	1.007276
"127589"	411.189076	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+2H"	2.014552
"570427"	616.279976	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+2H"	2.014552
"1044329"	206.098176	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2H"	2.014552
"211501"	274.461809333333	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+3H"	3.021828
"653250"	411.189076	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+3H"	3.021828
"1174656"	137.734542666667	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+3H"	3.021828
"438295"	838.397423	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+NH4"	18.033823
"800382"	1248.579223	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+NH4"	18.033823
"1695256"	428.215623	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+NH4"	18.033823
"336973"	419.7023495	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+H+NH4"	19.041099
"733768"	624.7932495	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+H+NH4"	19.041099
"1483215"	214.6114495	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H+NH4"	19.041099
"400802"	843.352818	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+Na"	22.989218
"757422"	1253.534618	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+Na"	22.989218
"1610985"	433.171018	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Na"	22.989218
"319931"	422.180047	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+H+Na"	23.996494
"711259"	627.270947	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+H+Na"	23.996494
"1463986"	217.089147	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H+Na"	23.996494
"1062700"	145.061856666667	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2H+Na"	25.00377
"1263285"	443.215286	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+CH3OH+H"	33.033486
"384047"	859.326758	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+K"	38.963158
"745043"	1269.508558	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+K"	38.963158
"1543819"	449.144958	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+K"	38.963158
"305373"	430.167017	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+H+K"	39.970434
"695608"	635.257917	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+H+K"	39.970434
"1458179"	225.076117	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H+K"	39.970434
"242408"	862.397426	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+ACN+H"	42.033826
"1211108"	452.215626	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+ACN+H"	42.033826
"1204466"	226.611451	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+ACN+2H"	43.041102
"195150"	865.33476	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+2Na-H"	44.97116
"637988"	1275.51656	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+2Na-H"	44.97116
"1134933"	455.15296	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2Na-H"	44.97116
"180408"	433.171018	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+2Na"	45.978436
"617782"	638.261918	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+2Na"	45.978436
"1119103"	228.080118	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2Na"	45.978436
"1403719"	152.389170666667	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H+2Na"	46.985712
"1431097"	457.194546	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H+HCOOH"	47.012746
"225532"	438.20404	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+3H2O+2H"	56.04448
"1511409"	471.24659	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+IsoProp+H"	61.06479
"410366"	441.157988	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+Na+K"	61.952376
"774280"	646.248888	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+Na+K"	61.952376
"1672800"	236.067088	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Na+K"	61.952376
"259322"	884.379368	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+ACN+Na"	64.015768
"1228753"	474.197568	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+ACN+Na"	64.015768
"1718735"	474.221093	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+NH4+HCOOH"	64.039293
"1186277"	159.716484666667	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+3Na"	68.967654
"1660543"	479.176488	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Na+HCOOH"	68.994688
"164125"	897.28264	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+2K-H"	76.91904
"601499"	1307.46444	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+2K-H"	76.91904
"1088199"	487.10084	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2K-H"	76.91904
"150485"	449.144958	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"2M+2K"	77.926316
"587861"	654.235858	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"3M+2K"	77.926316
"1071282"	244.054058	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2K"	77.926316
"1104492"	489.115392	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2K+H"	78.933592
"1339782"	489.203007	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+DMSO+H"	79.021207
"1008314"	493.242176	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2ACN+H"	83.060376
"1529718"	494.235808	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+IsoProp+Na+H"	84.054008
"992882"	247.124726	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+2ACN+2H"	84.067652
"1589578"	495.150428	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+K+HCOOH"	84.968628
"1414385"	525.181938	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+H+CF3COOH"	115.000138
"1148198"	267.638001	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+3ACN+2H"	125.094202
"1697506"	542.208485	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+NH4+CF3COOH"	132.026685
"1639477"	547.16388	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+Na+CF3COOH"	136.98208
"1572941"	563.13782	"C08093"	"Oseltamivir phosphate"	"C16H28N2O4H3PO4"	"410.1818"	"M+K+CF3COOH"	152.95602
"812060"	215.1441	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M"	0
"983404"	196.12571	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-H2O-H"	-19.01839
"66179"	142.422124	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M-3H"	-3.021828
"506830"	214.136824	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M-3H"	-3.021828
"882080"	70.707424	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-3H"	-3.021828
"2114"	214.136824	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M-2H"	-2.014552
"446050"	321.708874	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M-2H"	-2.014552
"819476"	106.564774	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-2H"	-2.014552
"79714"	429.280924	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M-H"	-1.007276
"522313"	644.425024	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M-H"	-1.007276
"896225"	214.136824	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-H"	-1.007276
"48049"	446.307471	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M-2H+NH4"	16.019271
"489307"	661.451571	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M-2H+NH4"	16.019271
"870764"	231.163371	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-2H+NH4"	16.019271
"35383"	451.262866	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M-2H+Na"	20.974666
"473974"	666.406966	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M-2H+Na"	20.974666
"849831"	236.118766	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-2H+Na"	20.974666
"1625563"	236.118766	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Na-2H"	20.974666
"98812"	232.125163	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M-H+Cl"	33.962126
"536185"	339.697213	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M-H+Cl"	33.962126
"930793"	124.553113	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-H+Cl"	33.962126
"270442"	465.257602	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+Cl"	34.969402
"662012"	680.401702	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+Cl"	34.969402
"1276360"	250.113502	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Cl"	34.969402
"18917"	467.236806	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M-2H+K"	36.948606
"460665"	682.380906	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M-2H+K"	36.948606
"835549"	252.092706	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-2H+K"	36.948606
"1560859"	252.092706	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+K-2H"	36.948606
"945460"	260.142294	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-H+HCOOH"	44.998194
"364769"	475.286401	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+HCOOH-H"	44.998201
"353030"	489.302051	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+Hac-H"	59.013851
"1495668"	274.157951	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Hac-H"	59.013851
"966124"	282.124251	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-H+NaCOOH"	66.980151
"111388"	250.113502	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+2Cl"	69.938804
"552040"	357.685552	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+2Cl"	69.938804
"1025218"	142.541452	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2Cl"	69.938804
"1249540"	294.062985	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Br"	78.918885
"1312352"	296.118972	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Cl+HCOOH"	80.974872
"1330578"	318.100929	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Cl+NaCOOH"	102.956829
"920541"	328.129686	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M-H+CF3COOH"	112.985586
"1295064"	364.106364	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Cl+CF3COOH"	148.962264
"1371403"	180.131424	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H-2H2O"	-35.012676
"1393638"	198.1414	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H-H2O"	-17.0027
"294052"	431.295476	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+H"	1.007276
"679913"	646.439576	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+H"	1.007276
"1358088"	216.151376	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H"	1.007276
"129156"	216.151376	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+2H"	2.014552
"569445"	323.723426	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+2H"	2.014552
"1045533"	108.579326	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2H"	2.014552
"210518"	144.436676	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+3H"	3.021828
"652267"	216.151376	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+3H"	3.021828
"1171486"	72.721976	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+3H"	3.021828
"438405"	448.322023	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+NH4"	18.033823
"798305"	663.466123	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+NH4"	18.033823
"1694271"	233.177923	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+NH4"	18.033823
"340363"	224.6646495	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+H+NH4"	19.041099
"736430"	332.2366995	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+H+NH4"	19.041099
"1487699"	117.0925995	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H+NH4"	19.041099
"399819"	453.277418	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+Na"	22.989218
"758625"	668.421518	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+Na"	22.989218
"1610002"	238.133318	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Na"	22.989218
"318949"	227.142347	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+H+Na"	23.996494
"710640"	334.714397	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+H+Na"	23.996494
"1467375"	119.570297	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H+Na"	23.996494
"1063903"	80.04929	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2H+Na"	25.00377
"1263396"	248.177586	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+CH3OH+H"	33.033486
"385251"	469.251358	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+K"	38.963158
"746246"	684.395458	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+K"	38.963158
"1543200"	254.107258	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+K"	38.963158
"305483"	235.129317	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+H+K"	39.970434
"695718"	342.701367	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+H+K"	39.970434
"1461084"	127.557267	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H+K"	39.970434
"246891"	472.322026	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+ACN+H"	42.033826
"1214134"	257.177926	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+ACN+H"	42.033826
"1204576"	129.092601	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+ACN+2H"	43.041102
"196353"	475.25936	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+2Na-H"	44.97116
"635912"	690.40346	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+2Na-H"	44.97116
"1136135"	260.11526	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2Na-H"	44.97116
"180518"	238.133318	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+2Na"	45.978436
"617892"	345.705368	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+2Na"	45.978436
"1121398"	130.561268	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2Na"	45.978436
"1402735"	87.376604	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H+2Na"	46.985712
"1431936"	262.156846	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H+HCOOH"	47.012746
"226735"	243.16634	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+3H2O+2H"	56.04448
"1513703"	276.20889	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+IsoProp+H"	61.06479
"416672"	246.120288	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+Na+K"	61.952376
"774389"	353.692338	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+Na+K"	61.952376
"1674004"	138.548238	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Na+K"	61.952376
"257246"	494.303968	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+ACN+Na"	64.015768
"1229953"	279.159868	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+ACN+Na"	64.015768
"1718845"	279.183393	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+NH4+HCOOH"	64.039293
"1185294"	94.703918	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+3Na"	68.967654
"1658466"	284.138788	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Na+HCOOH"	68.994688
"163141"	507.20724	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+2K-H"	76.91904
"601608"	722.35134	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+2K-H"	76.91904
"1087216"	292.06314	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2K-H"	76.91904
"145128"	254.107258	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"2M+2K"	77.926316
"587971"	361.679308	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"3M+2K"	77.926316
"1071392"	146.535208	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2K"	77.926316
"1104602"	294.077692	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2K+H"	78.933592
"1337705"	294.165307	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+DMSO+H"	79.021207
"1008424"	298.204476	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2ACN+H"	83.060376
"1529828"	299.198108	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+IsoProp+Na+H"	84.054008
"994088"	149.605876	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+2ACN+2H"	84.067652
"1589688"	300.112728	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+K+HCOOH"	84.968628
"1416440"	330.144238	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+H+CF3COOH"	115.000138
"1147060"	170.119151	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+3ACN+2H"	125.094202
"1697495"	347.170785	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+NH4+CF3COOH"	132.026685
"1639587"	352.12618	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+Na+CF3COOH"	136.98208
"1572321"	368.10012	"C08094"	"Rimantadine hydrochloride"	"C12H21NHCl"	"215.1441"	"M+K+CF3COOH"	152.95602
"811077"	332.1332	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M"	0
"974768"	313.11481	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-H2O-H"	-19.01839
"67381"	220.414857333333	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M-3H"	-3.021828
"506942"	331.125924	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M-3H"	-3.021828
"885837"	109.703790666667	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-3H"	-3.021828
"4413"	331.125924	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M-2H"	-2.014552
"448347"	497.192524	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M-2H"	-2.014552
"819586"	165.059324	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-2H"	-2.014552
"81765"	663.259124	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M-H"	-1.007276
"522424"	995.392324	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M-H"	-1.007276
"897187"	331.125924	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-H"	-1.007276
"51319"	680.285671	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M-2H+NH4"	16.019271
"490884"	1012.418871	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M-2H+NH4"	16.019271
"870874"	348.152471	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-2H+NH4"	16.019271
"37679"	685.241066	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M-2H+Na"	20.974666
"483802"	1017.374266	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M-2H+Na"	20.974666
"860513"	353.107866	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-2H+Na"	20.974666
"1628953"	353.107866	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Na-2H"	20.974666
"98922"	349.114263	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M-H+Cl"	33.962126
"537388"	515.180863	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M-H+Cl"	33.962126
"929080"	183.047663	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-H+Cl"	33.962126
"271645"	699.235802	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+Cl"	34.969402
"662972"	1031.369002	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+Cl"	34.969402
"1276470"	367.102602	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Cl"	34.969402
"19027"	701.215006	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M-2H+K"	36.948606
"461869"	1033.348206	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M-2H+K"	36.948606
"834687"	369.081806	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-2H+K"	36.948606
"1562063"	369.081806	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+K-2H"	36.948606
"948852"	377.131394	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-H+HCOOH"	44.998194
"365243"	709.264601	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+HCOOH-H"	44.998201
"355326"	723.280251	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+Hac-H"	59.013851
"1497599"	391.147051	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Hac-H"	59.013851
"965141"	399.113351	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-H+NaCOOH"	66.980151
"112955"	367.102602	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+2Cl"	69.938804
"551424"	533.169202	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+2Cl"	69.938804
"1026056"	201.036002	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2Cl"	69.938804
"1254027"	411.052085	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Br"	78.918885
"1314286"	413.108072	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Cl+HCOOH"	80.974872
"1330688"	435.090029	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Cl+NaCOOH"	102.956829
"921746"	445.118786	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M-H+CF3COOH"	112.985586
"1299548"	481.095464	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Cl+CF3COOH"	148.962264
"1371877"	297.120524	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H-2H2O"	-35.012676
"1396300"	315.1305	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H-H2O"	-17.0027
"291611"	665.273676	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+H"	1.007276
"680752"	997.406876	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+H"	1.007276
"1358198"	333.140476	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H"	1.007276
"133277"	333.140476	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+2H"	2.014552
"571741"	499.207076	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+2H"	2.014552
"1043821"	167.073876	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2H"	2.014552
"211723"	222.429409333333	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+3H"	3.021828
"651284"	333.140476	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+3H"	3.021828
"1171599"	111.718342666667	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+3H"	3.021828
"434869"	682.300223	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+NH4"	18.033823
"798784"	1014.433423	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+NH4"	18.033823
"1694018"	350.167023	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+NH4"	18.033823
"333915"	341.6537495	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+H+NH4"	19.041099
"728518"	507.7203495	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+H+NH4"	19.041099
"1479791"	175.5871495	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H+NH4"	19.041099
"394462"	687.255618	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+Na"	22.989218
"756305"	1019.388818	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+Na"	22.989218
"1605375"	355.122418	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Na"	22.989218
"319060"	344.131447	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+H+Na"	23.996494
"711480"	510.198047	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+H+Na"	23.996494
"1465299"	178.064847	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H+Na"	23.996494
"1055629"	119.045656666667	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2H+Na"	25.00377
"1264600"	365.166686	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+CH3OH+H"	33.033486
"383174"	703.229558	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+K"	38.963158
"746358"	1035.362758	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+K"	38.963158
"1549504"	371.096358	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+K"	38.963158
"311062"	352.118417	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+H+K"	39.970434
"694734"	518.185017	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+H+K"	39.970434
"1460830"	186.051817	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H+K"	39.970434
"245909"	706.300226	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+ACN+H"	42.033826
"1221897"	374.167026	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+ACN+H"	42.033826
"1206872"	187.587151	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+ACN+2H"	43.041102
"195367"	709.23756	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+2Na-H"	44.97116
"634928"	1041.37076	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+2Na-H"	44.97116
"1136247"	377.10436	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2Na-H"	44.97116
"176255"	355.122418	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+2Na"	45.978436
"615084"	521.189018	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+2Na"	45.978436
"1118228"	189.055818	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2Na"	45.978436
"1399440"	126.372970666667	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H+2Na"	46.985712
"1432046"	379.145946	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H+HCOOH"	47.012746
"222834"	360.15544	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+3H2O+2H"	56.04448
"1512720"	393.19799	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+IsoProp+H"	61.06479
"413504"	363.109388	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+Na+K"	61.952376
"779970"	529.175988	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+Na+K"	61.952376
"1676299"	197.042788	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Na+K"	61.952376
"263916"	728.282168	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+ACN+Na"	64.015768
"1230067"	396.148968	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+ACN+Na"	64.015768
"1722236"	396.172493	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+NH4+HCOOH"	64.039293
"1184311"	133.700284666667	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+3Na"	68.967654
"1656391"	401.127888	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Na+HCOOH"	68.994688
"166533"	741.18544	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+2K-H"	76.91904
"600624"	1073.31864	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+2K-H"	76.91904
"1087328"	409.05224	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2K-H"	76.91904
"145236"	371.096358	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"2M+2K"	77.926316
"589174"	537.162958	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"3M+2K"	77.926316
"1078064"	205.029758	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2K"	77.926316
"1101674"	411.066792	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2K+H"	78.933592
"1336235"	411.154407	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+DMSO+H"	79.021207
"1008534"	415.193576	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2ACN+H"	83.060376
"1524956"	416.187208	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+IsoProp+Na+H"	84.054008
"991041"	208.100426	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+2ACN+2H"	84.067652
"1588336"	417.101828	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+K+HCOOH"	84.968628
"1416550"	447.133338	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+H+CF3COOH"	115.000138
"1153401"	228.613701	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+3ACN+2H"	125.094202
"1698579"	464.159885	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+NH4+CF3COOH"	132.026685
"1639697"	469.11528	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+Na+CF3COOH"	136.98208
"1575347"	485.08922	"C08095"	"Zanamivir"	"C12H20N4O7"	"332.1332"	"M+K+CF3COOH"	152.95602
"813372"	476.012	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M"	0
"980345"	456.99361	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-H2O-H"	-19.01839
"66762"	316.334057333333	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M-3H"	-3.021828
"509238"	475.004724	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M-3H"	-3.021828
"885946"	157.663390666667	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-3H"	-3.021828
"7805"	475.004724	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M-2H"	-2.014552
"450644"	713.010724	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M-2H"	-2.014552
"821884"	236.998724	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-2H"	-2.014552
"81875"	951.016724	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M-H"	-1.007276
"521436"	1427.028724	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M-H"	-1.007276
"900335"	475.004724	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-H"	-1.007276
"51430"	968.043271	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M-2H+NH4"	16.019271
"492087"	1444.055271	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M-2H+NH4"	16.019271
"872077"	492.031271	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-2H+NH4"	16.019271
"34509"	972.998666	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M-2H+Na"	20.974666
"478444"	1449.010666	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M-2H+Na"	20.974666
"855154"	496.986666	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-2H+Na"	20.974666
"1629062"	496.986666	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Na-2H"	20.974666
"102312"	492.993063	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M-H+Cl"	33.962126
"538591"	730.999063	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M-H+Cl"	33.962126
"929919"	254.987063	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-H+Cl"	33.962126
"269932"	986.993402	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+Cl"	34.969402
"661016"	1463.005402	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+Cl"	34.969402
"1274512"	510.981402	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Cl"	34.969402
"19137"	988.972606	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M-2H+K"	36.948606
"458697"	1464.984606	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M-2H+K"	36.948606
"834312"	512.960606	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-2H+K"	36.948606
"1561079"	512.960606	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+K-2H"	36.948606
"948962"	521.010194	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-H+HCOOH"	44.998194
"364261"	997.022201	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+HCOOH-H"	44.998201
"355436"	1011.037851	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+Hac-H"	59.013851
"1497345"	535.025851	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Hac-H"	59.013851
"965251"	542.992151	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-H+NaCOOH"	66.980151
"113064"	510.981402	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+2Cl"	69.938804
"552992"	748.987402	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+2Cl"	69.938804
"1023246"	272.975402	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2Cl"	69.938804
"1247570"	554.930885	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Br"	78.918885
"1318038"	556.986872	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Cl+HCOOH"	80.974872
"1331526"	578.968829	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Cl+NaCOOH"	102.956829
"922950"	588.997586	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M-H+CF3COOH"	112.985586
"1298565"	624.974264	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Cl+CF3COOH"	148.962264
"1371987"	440.999324	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H-2H2O"	-35.012676
"1392035"	459.0093	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H-H2O"	-17.0027
"292450"	953.031276	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+H"	1.007276
"683048"	1429.043276	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+H"	1.007276
"1361588"	477.019276	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H"	1.007276
"134480"	477.019276	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+2H"	2.014552
"572944"	715.025276	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+2H"	2.014552
"1043931"	239.013276	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2H"	2.014552
"210741"	318.348609333333	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+3H"	3.021828
"653581"	477.019276	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+3H"	3.021828
"1172803"	159.677942666667	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+3H"	3.021828
"434979"	970.057823	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+NH4"	18.033823
"797801"	1446.069823	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+NH4"	18.033823
"1693035"	494.045823	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+NH4"	18.033823
"335118"	485.5325495	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+H+NH4"	19.041099
"727539"	723.5385495	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+H+NH4"	19.041099
"1480266"	247.5265495	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H+NH4"	19.041099
"395665"	975.013218	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+Na"	22.989218
"757022"	1451.025218	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+Na"	22.989218
"1606944"	499.001218	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Na"	22.989218
"319168"	488.010247	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+H+Na"	23.996494
"709405"	726.016247	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+H+Na"	23.996494
"1469786"	250.004247	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H+Na"	23.996494
"1053794"	167.005256666667	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2H+Na"	25.00377
"1259241"	509.045486	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+CH3OH+H"	33.033486
"382189"	990.987158	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+K"	38.963158
"744281"	1466.999158	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+K"	38.963158
"1546334"	514.975158	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+K"	38.963158
"300235"	495.997217	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+H+K"	39.970434
"695938"	734.003217	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+H+K"	39.970434
"1460986"	257.991217	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H+K"	39.970434
"249300"	994.057826	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+ACN+H"	42.033826
"1219823"	518.045826	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+ACN+H"	42.033826
"1205889"	259.526551	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+ACN+2H"	43.041102
"196572"	996.99516	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+2Na-H"	44.97116
"632853"	1473.00716	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+2Na-H"	44.97116
"1133079"	520.98316	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2Na-H"	44.97116
"175272"	499.001218	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+2Na"	45.978436
"615924"	737.007218	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+2Na"	45.978436
"1116151"	260.995218	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2Na"	45.978436
"1399673"	174.332570666667	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H+2Na"	46.985712
"1432885"	523.024746	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H+HCOOH"	47.012746
"221485"	504.03424	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+3H2O+2H"	56.04448
"1511736"	537.07679	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+IsoProp+H"	61.06479
"409604"	506.988188	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+Na+K"	61.952376
"777893"	744.994188	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+Na+K"	61.952376
"1676044"	268.982188	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Na+K"	61.952376
"258557"	1016.039768	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+ACN+Na"	64.015768
"1234543"	540.027768	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+ACN+Na"	64.015768
"1715054"	540.051293	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+NH4+HCOOH"	64.039293
"1186607"	181.659884666667	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+3Na"	68.967654
"1653221"	545.006688	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Na+HCOOH"	68.994688
"167736"	1028.94304	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+2K-H"	76.91904
"598548"	1504.95504	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+2K-H"	76.91904
"1090717"	552.93104	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2K-H"	76.91904
"147533"	514.975158	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"2M+2K"	77.926316
"591471"	752.981158	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"3M+2K"	77.926316
"1079270"	276.969158	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2K"	77.926316
"1104822"	554.945592	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2K+H"	78.933592
"1339020"	555.033207	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+DMSO+H"	79.021207
"1011925"	559.072376	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2ACN+H"	83.060376
"1527862"	560.066008	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+IsoProp+Na+H"	84.054008
"993217"	280.039826	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+2ACN+2H"	84.067652
"1589906"	560.980628	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+K+HCOOH"	84.968628
"1416661"	591.012138	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+H+CF3COOH"	115.000138
"1148043"	300.553101	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+3ACN+2H"	125.094202
"1698689"	608.038685	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+NH4+CF3COOH"	132.026685
"1639807"	612.99408	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+Na+CF3COOH"	136.98208
"1575457"	628.96802	"C08098"	"Cefazolin sodium;Cefazolin sodium salt"	"C14H13N8O4S3Na"	"476.012"	"M+K+CF3COOH"	152.95602
"810202"	365.1045	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M"	0
"977173"	346.08611	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-H2O-H"	-19.01839
"65415"	242.395724	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M-3H"	-3.021828
"506068"	364.097224	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M-3H"	-3.021828
"884963"	120.694224	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-3H"	-3.021828
"6822"	364.097224	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M-2H"	-2.014552
"450754"	546.649474	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M-2H"	-2.014552
"820901"	181.544974	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-2H"	-2.014552
"80892"	729.201724	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M-H"	-1.007276
"521546"	1094.306224	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M-H"	-1.007276
"899350"	364.097224	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-H"	-1.007276
"50081"	746.228271	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M-2H+NH4"	16.019271
"493290"	1111.332771	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M-2H+NH4"	16.019271
"867812"	381.123771	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-2H+NH4"	16.019271
"34617"	751.183666	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M-2H+Na"	20.974666
"478554"	1116.288166	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M-2H+Na"	20.974666
"855264"	386.079166	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-2H+Na"	20.974666
"1619331"	386.079166	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Na-2H"	20.974666
"100235"	382.085563	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M-H+Cl"	33.962126
"538701"	564.637813	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M-H+Cl"	33.962126
"930757"	199.533313	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-H+Cl"	33.962126
"270042"	765.178402	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+Cl"	34.969402
"661005"	1130.282902	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+Cl"	34.969402
"1273772"	400.073902	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Cl"	34.969402
"17060"	767.157606	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M-2H+K"	36.948606
"456739"	1132.262106	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M-2H+K"	36.948606
"834178"	402.053106	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-2H+K"	36.948606
"1560096"	402.053106	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+K-2H"	36.948606
"943969"	410.102694	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-H+HCOOH"	44.998194
"363642"	775.207201	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+HCOOH-H"	44.998201
"348254"	789.222851	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+Hac-H"	59.013851
"1496358"	424.118351	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Hac-H"	59.013851
"963170"	432.084651	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-H+NaCOOH"	66.980151
"112808"	400.073902	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+2Cl"	69.938804
"551274"	582.626152	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+2Cl"	69.938804
"1022993"	217.521652	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2Cl"	69.938804
"1246587"	444.023385	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Br"	78.918885
"1310492"	446.079372	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Cl+HCOOH"	80.974872
"1325436"	468.061329	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Cl+NaCOOH"	102.956829
"917592"	478.090086	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M-H+CF3COOH"	112.985586
"1298675"	514.066764	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Cl+CF3COOH"	148.962264
"1381576"	330.091824	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H-2H2O"	-35.012676
"1392874"	348.1018	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H-H2O"	-17.0027
"290736"	731.216276	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+H"	1.007276
"679878"	1096.320776	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+H"	1.007276
"1361698"	366.111776	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H"	1.007276
"134590"	366.111776	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+2H"	2.014552
"573054"	548.664026	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+2H"	2.014552
"1042948"	183.559526	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2H"	2.014552
"213036"	244.410276	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+3H"	3.021828
"654784"	366.111776	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+3H"	3.021828
"1174005"	122.708776	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+3H"	3.021828
"437277"	748.242823	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+NH4"	18.033823
"797910"	1113.347323	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+NH4"	18.033823
"1694237"	383.138323	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+NH4"	18.033823
"337415"	374.6250495	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+H+NH4"	19.041099
"728743"	557.1772995	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+H+NH4"	19.041099
"1479282"	192.0727995	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H+NH4"	19.041099
"395775"	753.198218	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+Na"	22.989218
"756038"	1118.302718	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+Na"	22.989218
"1608147"	388.093718	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Na"	22.989218
"322558"	377.102747	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+H+Na"	23.996494
"711702"	559.654997	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+H+Na"	23.996494
"1469896"	194.550497	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H+Na"	23.996494
"1054394"	130.03609	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2H+Na"	25.00377
"1260445"	398.137986	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+CH3OH+H"	33.033486
"382300"	769.172158	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+K"	38.963158
"744391"	1134.276658	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+K"	38.963158
"1546444"	404.067658	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+K"	38.963158
"300707"	385.089717	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+H+K"	39.970434
"697141"	567.641967	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+H+K"	39.970434
"1458619"	202.537467	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H+K"	39.970434
"248317"	772.242826	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+ACN+H"	42.033826
"1218837"	407.138326	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+ACN+H"	42.033826
"1205999"	204.072801	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+ACN+2H"	43.041102
"196682"	775.18016	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+2Na-H"	44.97116
"632963"	1140.28466	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+2Na-H"	44.97116
"1133189"	410.07566	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2Na-H"	44.97116
"177569"	388.093718	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+2Na"	45.978436
"616033"	570.645968	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+2Na"	45.978436
"1117354"	205.541468	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2Na"	45.978436
"1401240"	137.363404	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H+2Na"	46.985712
"1434087"	412.117246	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H+HCOOH"	47.012746
"221595"	393.12674	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+3H2O+2H"	56.04448
"1515125"	426.16929	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+IsoProp+H"	61.06479
"410440"	396.080688	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+Na+K"	61.952376
"781282"	578.632938	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+Na+K"	61.952376
"1676518"	213.528438	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Na+K"	61.952376
"260853"	794.224768	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+ACN+Na"	64.015768
"1235382"	429.120268	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+ACN+Na"	64.015768
"1721355"	429.143793	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+NH4+HCOOH"	64.039293
"1185622"	144.690718	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+3Na"	68.967654
"1654424"	434.099188	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Na+HCOOH"	68.994688
"163472"	807.12804	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+2K-H"	76.91904
"600845"	1172.23254	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+2K-H"	76.91904
"1091920"	442.02354	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2K-H"	76.91904
"147642"	404.067658	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"2M+2K"	77.926316
"587207"	586.619908	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"3M+2K"	77.926316
"1078287"	221.515408	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2K"	77.926316
"1102745"	444.038092	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2K+H"	78.933592
"1339130"	444.125707	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+DMSO+H"	79.021207
"1012035"	448.164876	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2ACN+H"	83.060376
"1527972"	449.158508	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+IsoProp+Na+H"	84.054008
"993327"	224.586076	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+2ACN+2H"	84.067652
"1592202"	450.073128	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+K+HCOOH"	84.968628
"1417864"	480.104638	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+H+CF3COOH"	115.000138
"1148153"	245.099351	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+3ACN+2H"	125.094202
"1698799"	497.131185	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+NH4+CF3COOH"	132.026685
"1639917"	502.08658	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+Na+CF3COOH"	136.98208
"1575567"	518.06052	"C08099"	"Cephalexin monohydrate;Cephalexin"	"C16H17N3O4SH2O"	"365.1045"	"M+K+CF3COOH"	152.95602
"810312"	418.0269	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M"	0
"977283"	399.00851	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-H2O-H"	-19.01839
"65525"	277.677324	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M-3H"	-3.021828
"507271"	417.019624	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M-3H"	-3.021828
"885073"	138.335024	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-3H"	-3.021828
"6932"	417.019624	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M-2H"	-2.014552
"447584"	626.033074	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M-2H"	-2.014552
"821011"	208.006174	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-2H"	-2.014552
"78815"	835.046524	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M-H"	-1.007276
"519470"	1253.073424	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M-H"	-1.007276
"898367"	417.019624	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-H"	-1.007276
"47640"	852.073071	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M-2H+NH4"	16.019271
"489027"	1270.099971	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M-2H+NH4"	16.019271
"864517"	434.046171	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-2H+NH4"	16.019271
"31807"	857.028466	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M-2H+Na"	20.974666
"474291"	1275.055366	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M-2H+Na"	20.974666
"853187"	439.001566	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-2H+Na"	20.974666
"1620898"	439.001566	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Na-2H"	20.974666
"99252"	435.007963	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M-H+Cl"	33.962126
"536624"	644.021413	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M-H+Cl"	33.962126
"928316"	225.994513	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-H+Cl"	33.962126
"269058"	871.023202	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+Cl"	34.969402
"661237"	1289.050102	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+Cl"	34.969402
"1274733"	452.996302	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Cl"	34.969402
"16520"	873.002406	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M-2H+K"	36.948606
"458065"	1291.029306	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M-2H+K"	36.948606
"832847"	454.975506	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-2H+K"	36.948606
"1556560"	454.975506	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+K-2H"	36.948606
"943224"	463.025094	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-H+HCOOH"	44.998194
"361887"	881.052001	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+HCOOH-H"	44.998201
"348364"	895.067651	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+Hac-H"	59.013851
"1498655"	477.040751	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Hac-H"	59.013851
"965470"	485.007051	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-H+NaCOOH"	66.980151
"110239"	452.996302	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+2Cl"	69.938804
"550028"	662.009752	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+2Cl"	69.938804
"1021400"	243.982852	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2Cl"	69.938804
"1241391"	496.945785	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Br"	78.918885
"1304365"	499.001772	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Cl+HCOOH"	80.974872
"1324817"	520.983729	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Cl+NaCOOH"	102.956829
"920617"	531.012486	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M-H+CF3COOH"	112.985586
"1301336"	566.989164	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Cl+CF3COOH"	148.962264
"1381320"	383.014224	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H-2H2O"	-35.012676
"1387881"	401.0242	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H-H2O"	-17.0027
"289753"	837.061076	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+H"	1.007276
"681082"	1255.087976	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+H"	1.007276
"1355612"	419.034176	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H"	1.007276
"130324"	419.034176	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+2H"	2.014552
"572070"	628.047626	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+2H"	2.014552
"1041233"	210.020726	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2H"	2.014552
"213146"	279.691876	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+3H"	3.021828
"647238"	419.034176	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+3H"	3.021828
"1173021"	140.349576	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+3H"	3.021828
"435198"	854.087623	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+NH4"	18.033823
"794011"	1272.114523	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+NH4"	18.033823
"1691432"	436.060723	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+NH4"	18.033823
"334245"	427.5474495	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+H+NH4"	19.041099
"724478"	636.5608995	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+H+NH4"	19.041099
"1477568"	218.5339995	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H+NH4"	19.041099
"398069"	859.043018	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+Na"	22.989218
"757972"	1277.069918	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+Na"	22.989218
"1605097"	441.016118	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Na"	22.989218
"318295"	430.025147	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+H+Na"	23.996494
"713999"	639.038597	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+H+Na"	23.996494
"1472196"	221.011697	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H+Na"	23.996494
"1059971"	147.67689	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2H+Na"	25.00377
"1263837"	451.060386	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+CH3OH+H"	33.033486
"385691"	875.016958	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+K"	38.963158
"745595"	1293.043858	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+K"	38.963158
"1546556"	456.990058	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+K"	38.963158
"303003"	438.012117	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+H+K"	39.970434
"696158"	647.025567	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+H+K"	39.970434
"1454356"	228.998667	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H+K"	39.970434
"246240"	878.087626	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+ACN+H"	42.033826
"1215667"	460.060726	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+ACN+H"	42.033826
"1205017"	230.534001	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+ACN+2H"	43.041102
"196792"	881.02496	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+2Na-H"	44.97116
"634165"	1299.05186	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+2Na-H"	44.97116
"1137670"	462.99806	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2Na-H"	44.97116
"182052"	441.016118	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+2Na"	45.978436
"617239"	650.029568	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+2Na"	45.978436
"1122931"	232.002668	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2Na"	45.978436
"1409373"	155.004204	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H+2Na"	46.985712
"1433103"	465.039646	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H+HCOOH"	47.012746
"227173"	446.04914	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+3H2O+2H"	56.04448
"1516695"	479.09169	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+IsoProp+H"	61.06479
"414921"	449.003088	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+Na+K"	61.952376
"781393"	658.016538	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+Na+K"	61.952376
"1676995"	239.989638	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Na+K"	61.952376
"263513"	900.069568	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+ACN+Na"	64.015768
"1233672"	482.042668	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+ACN+Na"	64.015768
"1719279"	482.066193	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+NH4+HCOOH"	64.039293
"1185732"	162.331518	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+3Na"	68.967654
"1653440"	487.021588	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Na+HCOOH"	68.994688
"160302"	912.97284	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+2K-H"	76.91904
"600955"	1330.99974	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+2K-H"	76.91904
"1090937"	494.94594	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2K-H"	76.91904
"146659"	456.990058	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"2M+2K"	77.926316
"586223"	666.003508	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"3M+2K"	77.926316
"1074019"	247.976608	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2K"	77.926316
"1101757"	496.960492	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2K+H"	78.933592
"1338143"	497.048107	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+DMSO+H"	79.021207
"1007768"	501.087276	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2ACN+H"	83.060376
"1526015"	502.080908	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+IsoProp+Na+H"	84.054008
"993434"	251.047276	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+2ACN+2H"	84.067652
"1587939"	502.995528	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+K+HCOOH"	84.968628
"1417973"	533.027038	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+H+CF3COOH"	115.000138
"1149356"	271.560551	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+3ACN+2H"	125.094202
"1698909"	550.053585	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+NH4+CF3COOH"	132.026685
"1640027"	555.00898	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+Na+CF3COOH"	136.98208
"1575677"	570.98292	"C08100"	"Cephalothin sodium;Cefalotin sodium"	"C16H15N2O6S2Na"	"418.0269"	"M+K+CF3COOH"	152.95602
"806048"	445.0378	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M"	0
"980675"	426.01941	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-H2O-H"	-19.01839
"66728"	295.684590666667	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M-3H"	-3.021828
"506288"	444.030524	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M-3H"	-3.021828
"884090"	147.338657333333	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-3H"	-3.021828
"2665"	444.030524	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M-2H"	-2.014552
"445507"	666.549424	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M-2H"	-2.014552
"818325"	221.511624	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-2H"	-2.014552
"83300"	889.068324	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M-H"	-1.007276
"520308"	1334.106124	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M-H"	-1.007276
"898481"	444.030524	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-H"	-1.007276
"47668"	906.094871	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M-2H+NH4"	16.019271
"491322"	1351.132671	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M-2H+NH4"	16.019271
"865107"	461.057071	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-2H+NH4"	16.019271
"33017"	911.050266	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M-2H+Na"	20.974666
"473307"	1356.088066	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M-2H+Na"	20.974666
"853298"	466.012466	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-2H+Na"	20.974666
"1626114"	466.012466	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Na-2H"	20.974666
"98269"	462.018863	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M-H+Cl"	33.962126
"537100"	684.537763	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M-H+Cl"	33.962126
"931342"	239.499963	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-H+Cl"	33.962126
"267831"	925.045002	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+Cl"	34.969402
"660488"	1370.082802	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+Cl"	34.969402
"1273018"	480.007202	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Cl"	34.969402
"16303"	927.024206	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M-2H+K"	36.948606
"458299"	1372.062006	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M-2H+K"	36.948606
"833343"	481.986406	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-2H+K"	36.948606
"1557399"	481.986406	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+K-2H"	36.948606
"943825"	490.035994	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-H+HCOOH"	44.998194
"362769"	935.073801	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+HCOOH-H"	44.998201
"347747"	949.089451	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+Hac-H"	59.013851
"1494757"	504.051651	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Hac-H"	59.013851
"964851"	512.017951	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-H+NaCOOH"	66.980151
"110476"	480.007202	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+2Cl"	69.938804
"550158"	702.526102	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+2Cl"	69.938804
"1021631"	257.488302	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2Cl"	69.938804
"1246440"	523.956685	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Br"	78.918885
"1305119"	526.012672	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Cl+HCOOH"	80.974872
"1328209"	547.994629	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Cl+NaCOOH"	102.956829
"917080"	558.023386	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M-H+CF3COOH"	112.985586
"1298892"	594.000064	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Cl+CF3COOH"	148.962264
"1378147"	410.025124	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H-2H2O"	-35.012676
"1387989"	428.0351	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H-H2O"	-17.0027
"285854"	891.082876	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+H"	1.007276
"682284"	1336.120676	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+H"	1.007276
"1353164"	446.045076	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H"	1.007276
"136994"	446.045076	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+2H"	2.014552
"574367"	668.563976	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+2H"	2.014552
"1042073"	223.526176	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2H"	2.014552
"216536"	297.699142666667	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+3H"	3.021828
"659015"	446.045076	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+3H"	3.021828
"1173858"	149.353209333333	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+3H"	3.021828
"435308"	908.109423	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+NH4"	18.033823
"795211"	1353.147223	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+NH4"	18.033823
"1684980"	463.071623	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+NH4"	18.033823
"332530"	454.5583495	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+H+NH4"	19.041099
"724952"	677.0772495	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+H+NH4"	19.041099
"1478528"	232.0394495	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H+NH4"	19.041099
"397086"	913.064818	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+Na"	22.989218
"756990"	1358.102618	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+Na"	22.989218
"1606182"	468.027018	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Na"	22.989218
"318404"	457.036047	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+H+Na"	23.996494
"709735"	679.554947	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+H+Na"	23.996494
"1463920"	234.517147	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H+Na"	23.996494
"1061174"	156.680523333333	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2H+Na"	25.00377
"1265039"	478.071286	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+CH3OH+H"	33.033486
"385803"	929.038758	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+K"	38.963158
"746797"	1374.076558	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+K"	38.963158
"1549948"	484.000958	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+K"	38.963158
"303845"	465.023017	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+H+K"	39.970434
"700645"	687.541917	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+H+K"	39.970434
"1453373"	242.504117	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H+K"	39.970434
"245257"	932.109426	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+ACN+H"	42.033826
"1215778"	487.071626	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+ACN+H"	42.033826
"1200753"	244.039451	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+ACN+2H"	43.041102
"193622"	935.04676	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+2Na-H"	44.97116
"633183"	1380.08456	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+2Na-H"	44.97116
"1136688"	490.00896	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2Na-H"	44.97116
"177057"	468.027018	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+2Na"	45.978436
"615526"	690.545918	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+2Na"	45.978436
"1119760"	245.508118	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2Na"	45.978436
"1405471"	164.007837333333	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H+2Na"	46.985712
"1432119"	492.050546	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H+HCOOH"	47.012746
"224002"	473.06004	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+3H2O+2H"	56.04448
"1514252"	506.10259	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+IsoProp+H"	61.06479
"415032"	476.013988	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+Na+K"	61.952376
"773846"	698.532888	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+Na+K"	61.952376
"1674919"	253.495088	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Na+K"	61.952376
"260708"	954.091368	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+ACN+Na"	64.015768
"1232688"	509.053568	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+ACN+Na"	64.015768
"1719390"	509.077093	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+NH4+HCOOH"	64.039293
"1182562"	171.335151333333	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+3Na"	68.967654
"1656831"	514.032488	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Na+HCOOH"	68.994688
"165879"	966.99464	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+2K-H"	76.91904
"599001"	1412.03244	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+2K-H"	76.91904
"1087766"	521.95684	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2K-H"	76.91904
"147863"	484.000958	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"2M+2K"	77.926316
"590706"	706.519858	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"3M+2K"	77.926316
"1074131"	261.482058	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2K"	77.926316
"1106245"	523.971392	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2K+H"	78.933592
"1342631"	524.059007	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+DMSO+H"	79.021207
"1014438"	528.098176	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2ACN+H"	83.060376
"1534751"	529.091808	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+IsoProp+Na+H"	84.054008
"999013"	264.552726	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+2ACN+2H"	84.067652
"1593519"	530.006428	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+K+HCOOH"	84.968628
"1421365"	560.037938	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+H+CF3COOH"	115.000138
"1151652"	285.066001	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+3ACN+2H"	125.094202
"1701205"	577.064485	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+NH4+CF3COOH"	132.026685
"1640137"	582.01988	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+Na+CF3COOH"	136.98208
"1576881"	597.99382	"C08101"	"Cephapirin sodium;Cefapirin sodium;Sodium cefapirin"	"C17H16N3O6S2Na"	"445.0378"	"M+K+CF3COOH"	152.95602
"812717"	512.0549	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M"	0
"980786"	493.03651	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-H2O-H"	-19.01839
"65016"	340.362657333333	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M-3H"	-3.021828
"504576"	511.047624	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M-3H"	-3.021828
"883107"	169.677690666667	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-3H"	-3.021828
"3140"	511.047624	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M-2H"	-2.014552
"447804"	767.075074	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M-2H"	-2.014552
"819407"	255.020174	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-2H"	-2.014552
"80130"	1023.102524	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M-H"	-1.007276
"521878"	1535.157424	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M-H"	-1.007276
"897619"	511.047624	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-H"	-1.007276
"49687"	1040.129071	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M-2H+NH4"	16.019271
"492528"	1552.183971	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M-2H+NH4"	16.019271
"866440"	528.074171	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-2H+NH4"	16.019271
"34951"	1045.084466	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M-2H+Na"	20.974666
"472199"	1557.139366	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M-2H+Na"	20.974666
"850001"	533.029566	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-2H+Na"	20.974666
"1626223"	533.029566	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Na-2H"	20.974666
"96192"	529.035963	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M-H+Cl"	33.962126
"539032"	785.063413	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M-H+Cl"	33.962126
"927681"	273.008513	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-H+Cl"	33.962126
"267371"	1059.079202	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+Cl"	34.969402
"660066"	1571.134102	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+Cl"	34.969402
"1273373"	547.024302	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Cl"	34.969402
"15921"	1061.058406	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M-2H+K"	36.948606
"459138"	1573.113306	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M-2H+K"	36.948606
"832836"	549.003506	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-2H+K"	36.948606
"1555807"	549.003506	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+K-2H"	36.948606
"945392"	557.053094	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-H+HCOOH"	44.998194
"365065"	1069.108001	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+HCOOH-H"	44.998201
"346761"	1083.123651	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+Hac-H"	59.013851
"1494137"	571.068751	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Hac-H"	59.013851
"959857"	579.035051	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-H+NaCOOH"	66.980151
"110016"	547.024302	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+2Cl"	69.938804
"550016"	803.051752	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+2Cl"	69.938804
"1021818"	290.996852	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2Cl"	69.938804
"1241471"	590.973785	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Br"	78.918885
"1304987"	593.029772	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Cl+HCOOH"	80.974872
"1320782"	615.011729	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Cl+NaCOOH"	102.956829
"917919"	625.040486	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M-H+CF3COOH"	112.985586
"1295721"	661.017164	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Cl+CF3COOH"	148.962264
"1377893"	477.042224	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H-2H2O"	-35.012676
"1385911"	495.0522	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H-H2O"	-17.0027
"284506"	1025.117076	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+H"	1.007276
"680207"	1537.171976	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+H"	1.007276
"1354002"	513.062176	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H"	1.007276
"131637"	513.062176	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+2H"	2.014552
"572291"	769.089626	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+2H"	2.014552
"1044370"	257.034726	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2H"	2.014552
"215553"	342.377209333333	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+3H"	3.021828
"657302"	513.062176	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+3H"	3.021828
"1172146"	171.692242666667	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+3H"	3.021828
"427763"	1042.143623	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+NH4"	18.033823
"793134"	1554.198523	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+NH4"	18.033823
"1688371"	530.088723	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+NH4"	18.033823
"335558"	521.5754495	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+H+NH4"	19.041099
"725063"	777.6028995	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+H+NH4"	19.041099
"1478882"	265.5479995	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H+NH4"	19.041099
"396103"	1047.099018	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+Na"	22.989218
"755884"	1559.153918	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+Na"	22.989218
"1606292"	535.044118	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Na"	22.989218
"316694"	524.053147	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+H+Na"	23.996494
"711302"	780.080597	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+H+Na"	23.996494
"1463664"	268.025697	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H+Na"	23.996494
"1059098"	179.019556666667	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2H+Na"	25.00377
"1262962"	545.088386	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+CH3OH+H"	33.033486
"384820"	1063.072958	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+K"	38.963158
"742536"	1575.127858	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+K"	38.963158
"1548965"	551.018058	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+K"	38.963158
"302863"	532.040117	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+H+K"	39.970434
"700755"	788.067567	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+H+K"	39.970434
"1454579"	276.012667	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H+K"	39.970434
"240993"	1066.143626	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+ACN+H"	42.033826
"1218075"	554.088726	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+ACN+H"	42.033826
"1200864"	277.548001	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+ACN+2H"	43.041102
"200294"	1069.08096	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+2Na-H"	44.97116
"634388"	1581.13586	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+2Na-H"	44.97116
"1134612"	557.02606	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2Na-H"	44.97116
"175711"	535.044118	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+2Na"	45.978436
"617458"	791.071568	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+2Na"	45.978436
"1122058"	279.016668	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2Na"	45.978436
"1406676"	186.346870666667	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H+2Na"	46.985712
"1433325"	559.067646	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H+HCOOH"	47.012746
"224114"	540.07714	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+3H2O+2H"	56.04448
"1513635"	573.11969	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+IsoProp+H"	61.06479
"415142"	543.031088	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+Na+K"	61.952376
"779424"	799.058538	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+Na+K"	61.952376
"1679039"	287.003638	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Na+K"	61.952376
"266944"	1088.125568	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+ACN+Na"	64.015768
"1229156"	576.070668	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+ACN+Na"	64.015768
"1720594"	576.094193	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+NH4+HCOOH"	64.039293
"1182672"	193.674184666667	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+3Na"	68.967654
"1656941"	581.049588	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Na+HCOOH"	68.994688
"158699"	1101.02884	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+2K-H"	76.91904
"600083"	1613.08374	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+2K-H"	76.91904
"1086783"	588.97394	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2K-H"	76.91904
"144692"	551.018058	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"2M+2K"	77.926316
"590817"	807.045508	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"3M+2K"	77.926316
"1071318"	294.990608	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2K"	77.926316
"1107452"	590.988492	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2K+H"	78.933592
"1343834"	591.076107	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+DMSO+H"	79.021207
"1013455"	595.115276	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2ACN+H"	83.060376
"1529394"	596.108908	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+IsoProp+Na+H"	84.054008
"996936"	298.061276	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+2ACN+2H"	84.067652
"1594721"	597.023528	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+K+HCOOH"	84.968628
"1421476"	627.055038	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+H+CF3COOH"	115.000138
"1150669"	318.574551	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+3ACN+2H"	125.094202
"1699129"	644.081585	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+NH4+CF3COOH"	132.026685
"1640247"	649.03698	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+Na+CF3COOH"	136.98208
"1576991"	665.01092	"C08102"	"Cefamandole nafate"	"C19H17N6O6S2Na"	"512.0549"	"M+K+CF3COOH"	152.95602
"805172"	471.0453	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M"	0
"989040"	452.02691	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-H2O-H"	-19.01839
"66954"	313.022924	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M-3H"	-3.021828
"505420"	470.038024	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M-3H"	-3.021828
"883219"	156.007824	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-3H"	-3.021828
"3983"	470.038024	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M-2H"	-2.014552
"446822"	705.560674	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M-2H"	-2.014552
"818064"	234.515374	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-2H"	-2.014552
"80242"	941.083324	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M-H"	-1.007276
"518951"	1412.128624	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M-H"	-1.007276
"899798"	470.038024	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-H"	-1.007276
"50894"	958.109871	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M-2H+NH4"	16.019271
"489360"	1429.155171	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M-2H+NH4"	16.019271
"869350"	487.064571	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-2H+NH4"	16.019271
"33969"	963.065266	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M-2H+Na"	20.974666
"473529"	1434.110566	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M-2H+Na"	20.974666
"855707"	492.019966	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-2H+Na"	20.974666
"1631802"	492.019966	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Na-2H"	20.974666
"106144"	488.026363	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M-H+Cl"	33.962126
"539142"	723.549013	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M-H+Cl"	33.962126
"938125"	252.503713	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-H+Cl"	33.962126
"278869"	977.060002	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+Cl"	34.969402
"666916"	1448.105302	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+Cl"	34.969402
"1281506"	506.014702	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Cl"	34.969402
"22970"	979.039206	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M-2H+K"	36.948606
"459613"	1450.084506	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M-2H+K"	36.948606
"833119"	507.993906	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-2H+K"	36.948606
"1561997"	507.993906	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+K-2H"	36.948606
"944411"	516.043494	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-H+HCOOH"	44.998194
"362624"	987.088801	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+HCOOH-H"	44.998201
"346873"	1001.104451	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+Hac-H"	59.013851
"1493070"	530.059151	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Hac-H"	59.013851
"963613"	538.025451	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-H+NaCOOH"	66.980151
"110697"	506.014702	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+2Cl"	69.938804
"550621"	741.537352	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+2Cl"	69.938804
"1021606"	270.492052	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2Cl"	69.938804
"1242276"	549.964185	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Br"	78.918885
"1305218"	552.020172	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Cl+HCOOH"	80.974872
"1320771"	574.002129	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Cl+NaCOOH"	102.956829
"922404"	584.030886	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M-H+CF3COOH"	112.985586
"1299843"	620.007564	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Cl+CF3COOH"	148.962264
"1377274"	436.032624	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H-2H2O"	-35.012676
"1390396"	454.0426	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H-H2O"	-17.0027
"287896"	943.097876	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+H"	1.007276
"682869"	1414.143176	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+H"	1.007276
"1355572"	472.052576	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H"	1.007276
"128467"	472.052576	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+2H"	2.014552
"577506"	707.575226	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+2H"	2.014552
"1049588"	236.529926	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2H"	2.014552
"213477"	315.037476	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+3H"	3.021828
"655225"	472.052576	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+3H"	3.021828
"1173352"	158.022376	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+3H"	3.021828
"431156"	960.124423	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+NH4"	18.033823
"792152"	1431.169723	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+NH4"	18.033823
"1681558"	489.079123	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+NH4"	18.033823
"332750"	480.5658495	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+H+NH4"	19.041099
"724567"	716.0884995	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+H+NH4"	19.041099
"1478996"	245.0431995	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H+NH4"	19.041099
"395490"	965.079818	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+Na"	22.989218
"757578"	1436.125118	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+Na"	22.989218
"1603853"	494.034518	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Na"	22.989218
"316441"	483.043547	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+H+Na"	23.996494
"711049"	718.566197	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+H+Na"	23.996494
"1467056"	247.520897	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H+Na"	23.996494
"1063218"	165.34969	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2H+Na"	25.00377
"1268545"	504.078786	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+CH3OH+H"	33.033486
"391858"	981.053758	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+K"	38.963158
"748112"	1452.099058	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+K"	38.963158
"1550894"	510.008458	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+K"	38.963158
"301879"	491.030517	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+H+K"	39.970434
"693570"	726.553167	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+H+K"	39.970434
"1450309"	255.507867	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H+K"	39.970434
"241102"	984.124426	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+ACN+H"	42.033826
"1220371"	513.079126	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+ACN+H"	42.033826
"1200973"	257.043201	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+ACN+2H"	43.041102
"194937"	987.06176	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+2Na-H"	44.97116
"637779"	1458.10706	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+2Na-H"	44.97116
"1133751"	516.01646	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2Na-H"	44.97116
"175216"	494.034518	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+2Na"	45.978436
"616477"	729.557168	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+2Na"	45.978436
"1117794"	258.511868	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2Na"	45.978436
"1402413"	172.677004	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H+2Na"	46.985712
"1433435"	518.058046	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H+HCOOH"	47.012746
"223132"	499.06754	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+3H2O+2H"	56.04448
"1512289"	532.11009	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+IsoProp+H"	61.06479
"410516"	502.021488	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+Na+K"	61.952376
"775160"	737.544138	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+Na+K"	61.952376
"1673681"	266.498838	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Na+K"	61.952376
"264576"	1006.106368	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+ACN+Na"	64.015768
"1230726"	535.061068	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+ACN+Na"	64.015768
"1719611"	535.084593	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+NH4+HCOOH"	64.039293
"1184968"	180.004318	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+3Na"	68.967654
"1660331"	540.039988	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Na+HCOOH"	68.994688
"171202"	1019.00964	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+2K-H"	76.91904
"602380"	1490.05494	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+2K-H"	76.91904
"1089079"	547.96434	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2K-H"	76.91904
"146989"	510.008458	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"2M+2K"	77.926316
"589834"	745.531108	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"3M+2K"	77.926316
"1071064"	274.485808	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2K"	77.926316
"1108648"	549.978892	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2K+H"	78.933592
"1346128"	550.066507	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+DMSO+H"	79.021207
"1015753"	554.105676	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2ACN+H"	83.060376
"1533880"	555.099308	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+IsoProp+Na+H"	84.054008
"999237"	277.556476	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+2ACN+2H"	84.067652
"1594830"	556.013928	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+K+HCOOH"	84.968628
"1427783"	586.045438	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+H+CF3COOH"	115.000138
"1156247"	298.069751	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+3ACN+2H"	125.094202
"1710175"	603.071985	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+NH4+CF3COOH"	132.026685
"1645824"	608.02738	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+Na+CF3COOH"	136.98208
"1580381"	624.00132	"C08103"	"Cefmetazole"	"C15H17N7O5S3"	"471.0453"	"M+K+CF3COOH"	152.95602
"806376"	493.0273	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M"	0
"987201"	474.00891	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-H2O-H"	-19.01839
"67061"	327.677590666667	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M-3H"	-3.021828
"505527"	492.020024	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M-3H"	-3.021828
"882233"	163.335157333333	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-3H"	-3.021828
"1903"	492.020024	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M-2H"	-2.014552
"440083"	738.533674	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M-2H"	-2.014552
"819270"	245.506374	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-2H"	-2.014552
"80352"	985.047324	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M-H"	-1.007276
"518935"	1478.074624	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M-H"	-1.007276
"902097"	492.020024	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-H"	-1.007276
"54284"	1002.073871	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M-2H+NH4"	16.019271
"491657"	1495.101171	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M-2H+NH4"	16.019271
"869460"	509.046571	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-2H+NH4"	16.019271
"34079"	1007.029266	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M-2H+Na"	20.974666
"471815"	1500.056566	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M-2H+Na"	20.974666
"855817"	514.001966	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-2H+Na"	20.974666
"1627538"	514.001966	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Na-2H"	20.974666
"99692"	510.008363	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M-H+Cl"	33.962126
"534627"	756.522013	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M-H+Cl"	33.962126
"938235"	263.494713	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-H+Cl"	33.962126
"277886"	1021.024002	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+Cl"	34.969402
"667026"	1514.051302	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+Cl"	34.969402
"1280523"	527.996702	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Cl"	34.969402
"21986"	1023.003206	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M-2H+K"	36.948606
"458994"	1516.030506	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M-2H+K"	36.948606
"833391"	529.975906	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-2H+K"	36.948606
"1561743"	529.975906	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+K-2H"	36.948606
"944157"	538.025494	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-H+HCOOH"	44.998194
"362368"	1031.052801	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+HCOOH-H"	44.998201
"345724"	1045.068451	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+Hac-H"	59.013851
"1493990"	552.041151	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Hac-H"	59.013851
"959707"	560.007451	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-H+NaCOOH"	66.980151
"111172"	527.996702	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+2Cl"	69.938804
"550242"	774.510352	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+2Cl"	69.938804
"1021558"	281.483052	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2Cl"	69.938804
"1241455"	571.946185	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Br"	78.918885
"1304600"	574.002172	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Cl+HCOOH"	80.974872
"1320232"	595.984129	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Cl+NaCOOH"	102.956829
"920328"	606.012886	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M-H+CF3COOH"	112.985586
"1300317"	641.989564	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Cl+CF3COOH"	148.962264
"1377384"	458.014624	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H-2H2O"	-35.012676
"1391600"	476.0246	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H-H2O"	-17.0027
"286913"	987.061876	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+H"	1.007276
"679335"	1480.089176	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+H"	1.007276
"1355683"	494.034576	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H"	1.007276
"128577"	494.034576	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+2H"	2.014552
"577981"	740.548226	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+2H"	2.014552
"1048971"	247.520926	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2H"	2.014552
"217962"	329.692142666667	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+3H"	3.021828
"658251"	494.034576	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+3H"	3.021828
"1175285"	165.349709333333	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+3H"	3.021828
"433452"	1004.088423	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+NH4"	18.033823
"792265"	1497.115723	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+NH4"	18.033823
"1683855"	511.061123	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+NH4"	18.033823
"331767"	502.5478495	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+H+NH4"	19.041099
"725286"	749.0614995	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+H+NH4"	19.041099
"1478377"	256.0341995	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H+NH4"	19.041099
"393776"	1009.043818	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+Na"	22.989218
"757688"	1502.071118	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+Na"	22.989218
"1606514"	516.016518	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Na"	22.989218
"317280"	505.025547	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+H+Na"	23.996494
"708972"	751.539197	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+H+Na"	23.996494
"1467167"	258.511897	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H+Na"	23.996494
"1055673"	172.677023333333	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2H+Na"	25.00377
"1265375"	526.060786	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+CH3OH+H"	33.033486
"387229"	1025.017758	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+K"	38.963158
"748951"	1518.045058	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+K"	38.963158
"1545901"	531.990458	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+K"	38.963158
"299801"	513.012517	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+H+K"	39.970434
"692951"	759.526167	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+H+K"	39.970434
"1447139"	266.498867	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H+K"	39.970434
"239023"	1028.088426	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+ACN+H"	42.033826
"1211732"	535.061126	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+ACN+H"	42.033826
"1198895"	268.034201	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+ACN+2H"	43.041102
"190672"	1031.02576	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+2Na-H"	44.97116
"633513"	1524.05306	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+2Na-H"	44.97116
"1134833"	537.99846	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2Na-H"	44.97116
"173090"	516.016518	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+2Na"	45.978436
"613789"	762.530168	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+2Na"	45.978436
"1116443"	269.502868	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2Na"	45.978436
"1398624"	180.004337333333	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H+2Na"	46.985712
"1430056"	540.040046	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H+HCOOH"	47.012746
"221298"	521.04954	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+3H2O+2H"	56.04448
"1508693"	554.09209	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+IsoProp+H"	61.06479
"409408"	524.003488	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+Na+K"	61.952376
"771990"	770.517138	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+Na+K"	61.952376
"1673791"	277.489838	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Na+K"	61.952376
"264686"	1050.070368	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+ACN+Na"	64.015768
"1228649"	557.043068	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+ACN+Na"	64.015768
"1716441"	557.066593	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+NH4+HCOOH"	64.039293
"1186173"	187.331651333333	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+3Na"	68.967654
"1652787"	562.021988	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Na+HCOOH"	68.994688
"162929"	1062.97364	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+2K-H"	76.91904
"599210"	1556.00094	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+2K-H"	76.91904
"1087003"	569.94634	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2K-H"	76.91904
"143089"	531.990458	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"2M+2K"	77.926316
"592130"	778.504108	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"3M+2K"	77.926316
"1070445"	285.476808	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2K"	77.926316
"1108758"	571.960892	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2K+H"	78.933592
"1345144"	572.048507	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+DMSO+H"	79.021207
"1011488"	576.087676	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2ACN+H"	83.060376
"1531801"	577.081308	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+IsoProp+Na+H"	84.054008
"998249"	288.547476	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+2ACN+2H"	84.067652
"1597128"	577.995928	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+K+HCOOH"	84.968628
"1422788"	608.027438	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+H+CF3COOH"	115.000138
"1155265"	309.060751	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+3ACN+2H"	125.094202
"1708098"	625.053985	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+NH4+CF3COOH"	132.026685
"1643747"	630.00938	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+Na+CF3COOH"	136.98208
"1573931"	645.98332	"C08104"	"Cefmetazole sodium"	"C15H16N7O5S3Na"	"493.0273"	"M+K+CF3COOH"	152.95602
"805392"	585.9987	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M"	0
"986582"	566.98031	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-H2O-H"	-19.01839
"70451"	389.658524	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M-3H"	-3.021828
"505637"	584.991424	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M-3H"	-3.021828
"883437"	194.325624	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-3H"	-3.021828
"3106"	584.991424	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M-2H"	-2.014552
"441571"	877.990774	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M-2H"	-2.014552
"822658"	291.992074	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-2H"	-2.014552
"78999"	1170.990124	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M-H"	-1.007276
"519040"	1756.988824	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M-H"	-1.007276
"905487"	584.991424	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-H"	-1.007276
"56581"	1188.016671	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M-2H+NH4"	16.019271
"495047"	1774.015371	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M-2H+NH4"	16.019271
"869570"	602.017971	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-2H+NH4"	16.019271
"35282"	1192.972066	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M-2H+Na"	20.974666
"473749"	1778.970766	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M-2H+Na"	20.974666
"858114"	606.973366	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-2H+Na"	20.974666
"1629835"	606.973366	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Na-2H"	20.974666
"99802"	602.979763	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M-H+Cl"	33.962126
"534245"	895.979113	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M-H+Cl"	33.962126
"931783"	309.980413	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-H+Cl"	33.962126
"270705"	1206.966802	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+Cl"	34.969402
"661057"	1792.965502	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+Cl"	34.969402
"1274800"	620.968102	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Cl"	34.969402
"16991"	1208.946006	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M-2H+K"	36.948606
"458740"	1794.944706	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M-2H+K"	36.948606
"833988"	622.947306	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-2H+K"	36.948606
"1560395"	622.947306	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+K-2H"	36.948606
"945361"	630.996894	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-H+HCOOH"	44.998194
"363571"	1216.995601	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+HCOOH-H"	44.998201
"347092"	1231.011251	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+Hac-H"	59.013851
"1494100"	645.012551	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Hac-H"	59.013851
"960546"	652.978851	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-H+NaCOOH"	66.980151
"113470"	620.968102	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+2Cl"	69.938804
"550843"	913.967452	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+2Cl"	69.938804
"1021360"	327.968752	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2Cl"	69.938804
"1241684"	664.917585	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Br"	78.918885
"1305311"	666.973572	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Cl+HCOOH"	80.974872
"1321712"	688.955529	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Cl+NaCOOH"	102.956829
"913874"	698.984286	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M-H+CF3COOH"	112.985586
"1292771"	734.960964	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Cl+CF3COOH"	148.962264
"1377494"	550.986024	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H-2H2O"	-35.012676
"1388429"	568.996	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H-H2O"	-17.0027
"287023"	1173.004676	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+H"	1.007276
"679445"	1759.003376	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+H"	1.007276
"1355793"	587.005976	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H"	1.007276
"130874"	587.005976	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+2H"	2.014552
"578091"	880.005326	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+2H"	2.014552
"1051267"	294.006626	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2H"	2.014552
"217344"	391.673076	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+3H"	3.021828
"656539"	587.005976	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+3H"	3.021828
"1175759"	196.340176	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+3H"	3.021828
"435749"	1190.031223	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+NH4"	18.033823
"795653"	1776.029923	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+NH4"	18.033823
"1685059"	604.032523	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+NH4"	18.033823
"333699"	595.5192495	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+H+NH4"	19.041099
"726488"	888.5185995	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+H+NH4"	19.041099
"1479581"	302.5198995	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H+NH4"	19.041099
"395709"	1194.986618	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+Na"	22.989218
"757797"	1780.985318	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+Na"	22.989218
"1607353"	608.987918	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Na"	22.989218
"318849"	597.996947	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+H+Na"	23.996494
"709446"	890.996297	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+H+Na"	23.996494
"1467277"	304.997597	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H+Na"	23.996494
"1055783"	203.66749	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2H+Na"	25.00377
"1265485"	619.032186	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+CH3OH+H"	33.033486
"387339"	1210.960558	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+K"	38.963158
"749061"	1796.959258	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+K"	38.963158
"1546011"	624.961858	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+K"	38.963158
"302099"	605.983917	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+H+K"	39.970434
"697800"	898.983267	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+H+K"	39.970434
"1449435"	312.984567	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H+K"	39.970434
"242414"	1214.031226	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+ACN+H"	42.033826
"1212936"	628.032526	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+ACN+H"	42.033826
"1195723"	314.519901	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+ACN+2H"	43.041102
"192968"	1216.96856	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+2Na-H"	44.97116
"634715"	1802.96726	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+2Na-H"	44.97116
"1136035"	630.96986	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2Na-H"	44.97116
"173242"	608.987918	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+2Na"	45.978436
"613657"	901.987268	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+2Na"	45.978436
"1120202"	315.988568	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2Na"	45.978436
"1398739"	210.994804	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H+2Na"	46.985712
"1430407"	633.011446	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H+HCOOH"	47.012746
"220799"	614.02094	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+3H2O+2H"	56.04448
"1508681"	647.06349	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+IsoProp+H"	61.06479
"409276"	616.974888	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+Na+K"	61.952376
"771007"	909.974238	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+Na+K"	61.952376
"1673901"	323.975538	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Na+K"	61.952376
"264432"	1236.013168	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+ACN+Na"	64.015768
"1230946"	650.014468	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+ACN+Na"	64.015768
"1720923"	650.037993	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+NH4+HCOOH"	64.039293
"1182999"	218.322118	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+3Na"	68.967654
"1652897"	654.993388	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Na+HCOOH"	68.994688
"163039"	1248.91644	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+2K-H"	76.91904
"601506"	1834.91514	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+2K-H"	76.91904
"1087113"	662.91774	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2K-H"	76.91904
"143198"	624.961858	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"2M+2K"	77.926316
"592240"	917.961208	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"3M+2K"	77.926316
"1070191"	331.962508	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2K"	77.926316
"1106681"	664.932292	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2K+H"	78.933592
"1344160"	665.019907	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+DMSO+H"	79.021207
"1011598"	669.059076	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2ACN+H"	83.060376
"1530818"	670.052708	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+IsoProp+Na+H"	84.054008
"999453"	335.033176	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+2ACN+2H"	84.067652
"1598331"	670.967328	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+K+HCOOH"	84.968628
"1425084"	700.998838	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+H+CF3COOH"	115.000138
"1155375"	355.546451	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+3ACN+2H"	125.094202
"1708208"	718.025385	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+NH4+CF3COOH"	132.026685
"1643857"	722.98078	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+Na+CF3COOH"	136.98208
"1574041"	738.95472	"C08105"	"Cefonicid sodium"	"C18H16N6O8S32Na"	"585.9987"	"M+K+CF3COOH"	152.95602
"804409"	449.0327	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M"	0
"987785"	430.01431	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-H2O-H"	-19.01839
"67281"	298.347857333333	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M-3H"	-3.021828
"503086"	448.025424	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M-3H"	-3.021828
"882454"	148.670290666667	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-3H"	-3.021828
"2123"	448.025424	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M-2H"	-2.014552
"440949"	672.541774	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M-2H"	-2.014552
"820582"	223.509074	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-2H"	-2.014552
"78858"	897.058124	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M-H"	-1.007276
"519026"	1346.090824	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M-H"	-1.007276
"904500"	448.025424	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-H"	-1.007276
"51220"	914.084671	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M-2H+NH4"	16.019271
"495157"	1363.117371	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M-2H+NH4"	16.019271
"869680"	465.051971	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-2H+NH4"	16.019271
"32477"	919.040066	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M-2H+Na"	20.974666
"476045"	1368.072766	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M-2H+Na"	20.974666
"859317"	470.007366	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-2H+Na"	20.974666
"1629945"	470.007366	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Na-2H"	20.974666
"99912"	466.013763	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M-H+Cl"	33.962126
"534560"	690.530113	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M-H+Cl"	33.962126
"931893"	241.497413	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-H+Cl"	33.962126
"271544"	933.034802	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+Cl"	34.969402
"660801"	1382.067502	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+Cl"	34.969402
"1275639"	484.002102	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Cl"	34.969402
"17465"	935.014006	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M-2H+K"	36.948606
"458850"	1384.046706	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M-2H+K"	36.948606
"833734"	485.981306	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-2H+K"	36.948606
"1556128"	485.981306	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+K-2H"	36.948606
"945471"	494.030894	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-H+HCOOH"	44.998194
"363316"	943.063601	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+HCOOH-H"	44.998201
"347927"	957.079251	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+Hac-H"	59.013851
"1495301"	508.046551	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Hac-H"	59.013851
"960292"	516.012851	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-H+NaCOOH"	66.980151
"112112"	484.002102	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+2Cl"	69.938804
"550703"	708.518452	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+2Cl"	69.938804
"1021731"	259.485752	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2Cl"	69.938804
"1241794"	527.951585	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Br"	78.918885
"1304363"	530.007572	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Cl+HCOOH"	80.974872
"1320729"	551.989529	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Cl+NaCOOH"	102.956829
"912882"	562.018286	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M-H+CF3COOH"	112.985586
"1289712"	597.994964	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Cl+CF3COOH"	148.962264
"1372136"	414.020024	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H-2H2O"	-35.012676
"1386351"	432.03	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H-H2O"	-17.0027
"289320"	899.072676	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+H"	1.007276
"681742"	1348.105376	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+H"	1.007276
"1356267"	450.039976	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H"	1.007276
"134264"	450.039976	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+2H"	2.014552
"580389"	674.556326	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+2H"	2.014552
"1051378"	225.523626	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2H"	2.014552
"214901"	300.362409333333	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+3H"	3.021828
"654462"	450.039976	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+3H"	3.021828
"1175870"	150.684842666667	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+3H"	3.021828
"434766"	916.099223	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+NH4"	18.033823
"792486"	1365.131923	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+NH4"	18.033823
"1686628"	467.066523	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+NH4"	18.033823
"330895"	458.5532495	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+H+NH4"	19.041099
"726599"	683.0695995	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+H+NH4"	19.041099
"1480057"	234.0368995	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H+NH4"	19.041099
"396184"	921.054618	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+Na"	22.989218
"759001"	1370.087318	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+Na"	22.989218
"1607829"	472.021918	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Na"	22.989218
"318959"	461.030947	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+H+Na"	23.996494
"710287"	685.547297	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+H+Na"	23.996494
"1470667"	236.514597	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H+Na"	23.996494
"1058446"	158.012156666667	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2H+Na"	25.00377
"1267781"	482.066186	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+CH3OH+H"	33.033486
"387449"	937.028558	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+K"	38.963158
"749535"	1386.061258	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+K"	38.963158
"1546121"	487.995858	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+K"	38.963158
"302209"	469.017917	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+H+K"	39.970434
"701190"	693.534267	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+H+K"	39.970434
"1450639"	244.501567	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H+K"	39.970434
"238152"	940.099226	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+ACN+H"	42.033826
"1210614"	491.066526	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+ACN+H"	42.033826
"1195469"	246.036901	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+ACN+2H"	43.041102
"194173"	943.03656	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+2Na-H"	44.97116
"633733"	1392.06926	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+2Na-H"	44.97116
"1138332"	494.00386	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2Na-H"	44.97116
"174208"	472.021918	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+2Na"	45.978436
"613888"	696.538268	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+2Na"	45.978436
"1121405"	247.505568	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2Na"	45.978436
"1406022"	165.339470666667	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H+2Na"	46.985712
"1438140"	496.045446	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H+HCOOH"	47.012746
"228926"	477.05494	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+3H2O+2H"	56.04448
"1513708"	510.09749	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+IsoProp+H"	61.06479
"415582"	480.008888	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+Na+K"	61.952376
"775484"	704.525238	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+Na+K"	61.952376
"1668898"	255.492538	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Na+K"	61.952376
"253964"	962.081168	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+ACN+Na"	64.015768
"1227775"	513.048468	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+ACN+Na"	64.015768
"1722128"	513.071993	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+NH4+HCOOH"	64.039293
"1187483"	172.666784666667	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+3Na"	68.967654
"1651913"	518.027388	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Na+HCOOH"	68.994688
"162055"	974.98444	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+2K-H"	76.91904
"599426"	1424.01714	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+2K-H"	76.91904
"1087223"	525.95174	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2K-H"	76.91904
"144037"	487.995858	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"2M+2K"	77.926316
"593443"	712.512208	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"3M+2K"	77.926316
"1069450"	263.479508	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2K"	77.926316
"1101444"	527.966292	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2K+H"	78.933592
"1340989"	528.053907	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+DMSO+H"	79.021207
"1012801"	532.093076	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2ACN+H"	83.060376
"1532021"	533.086708	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+IsoProp+Na+H"	84.054008
"998469"	266.550176	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+2ACN+2H"	84.067652
"1599534"	534.001328	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+K+HCOOH"	84.968628
"1424101"	564.032838	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+H+CF3COOH"	115.000138
"1153296"	287.063451	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+3ACN+2H"	125.094202
"1707225"	581.059385	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+NH4+CF3COOH"	132.026685
"1640687"	586.01478	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+Na+CF3COOH"	136.98208
"1571964"	601.98872	"C08106"	"Cefoxitin sodium"	"C16H16N3O7S2Na"	"449.0327"	"M+K+CF3COOH"	152.95602
"809987"	510.1057	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M"	0
"986803"	491.08731	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-H2O-H"	-19.01839
"67392"	339.063190666667	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M-3H"	-3.021828
"508044"	509.098424	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M-3H"	-3.021828
"885844"	169.027957333333	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-3H"	-3.021828
"3327"	509.098424	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M-2H"	-2.014552
"442153"	764.151274	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M-2H"	-2.014552
"818870"	254.045574	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-2H"	-2.014552
"79462"	1019.204124	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M-H"	-1.007276
"519506"	1529.309824	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M-H"	-1.007276
"907526"	509.098424	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-H"	-1.007276
"53517"	1036.230671	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M-2H+NH4"	16.019271
"489798"	1546.336371	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M-2H+NH4"	16.019271
"866629"	526.124971	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-2H+NH4"	16.019271
"35502"	1041.186066	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M-2H+Na"	20.974666
"476155"	1551.291766	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M-2H+Na"	20.974666
"856147"	531.080366	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-2H+Na"	20.974666
"1628962"	531.080366	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Na-2H"	20.974666
"100022"	527.086763	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M-H+Cl"	33.962126
"534551"	782.139613	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M-H+Cl"	33.962126
"932003"	272.033913	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-H+Cl"	33.962126
"271654"	1055.180802	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+Cl"	34.969402
"661153"	1565.286502	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+Cl"	34.969402
"1273927"	545.075102	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Cl"	34.969402
"17211"	1057.160006	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M-2H+K"	36.948606
"459689"	1567.265706	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M-2H+K"	36.948606
"833844"	547.054306	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-2H+K"	36.948606
"1557083"	547.054306	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+K-2H"	36.948606
"944844"	555.103894	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-H+HCOOH"	44.998194
"364153"	1065.209601	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+HCOOH-H"	44.998201
"348400"	1079.225251	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+Hac-H"	59.013851
"1496140"	569.119551	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Hac-H"	59.013851
"960767"	577.085851	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-H+NaCOOH"	66.980151
"112952"	545.075102	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+2Cl"	69.938804
"551786"	800.127952	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+2Cl"	69.938804
"1022774"	290.022252	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2Cl"	69.938804
"1242837"	589.024585	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Br"	78.918885
"1305042"	591.080572	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Cl+HCOOH"	80.974872
"1321570"	613.062529	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Cl+NaCOOH"	102.956829
"913724"	623.091286	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M-H+CF3COOH"	112.985586
"1291525"	659.067964	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Cl+CF3COOH"	148.962264
"1368961"	475.093024	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H-2H2O"	-35.012676
"1386821"	493.103	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H-H2O"	-17.0027
"289430"	1021.218676	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+H"	1.007276
"682946"	1531.324376	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+H"	1.007276
"1359294"	511.112976	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H"	1.007276
"134374"	511.112976	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+2H"	2.014552
"578313"	766.165826	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+2H"	2.014552
"1052095"	256.060126	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2H"	2.014552
"215012"	341.077742666667	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+3H"	3.021828
"654572"	511.112976	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+3H"	3.021828
"1176708"	171.042509333333	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+3H"	3.021828
"432690"	1038.245223	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+NH4"	18.033823
"793689"	1548.350923	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+NH4"	18.033823
"1685646"	528.139523	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+NH4"	18.033823
"331006"	519.6262495	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+H+NH4"	19.041099
"727438"	774.6790995	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+H+NH4"	19.041099
"1481260"	264.5733995	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H+NH4"	19.041099
"397753"	1043.200618	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+Na"	22.989218
"756926"	1553.306318	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+Na"	22.989218
"1606843"	533.094918	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Na"	22.989218
"320162"	522.103947	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+H+Na"	23.996494
"711490"	777.156797	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+H+Na"	23.996494
"1468591"	267.051097	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H+Na"	23.996494
"1058556"	178.369823333333	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2H+Na"	25.00377
"1264609"	543.139186	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+CH3OH+H"	33.033486
"386465"	1059.174558	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+K"	38.963158
"746365"	1569.280258	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+K"	38.963158
"1542951"	549.068858	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+K"	38.963158
"300496"	530.090917	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+H+K"	39.970434
"701300"	785.143767	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+H+K"	39.970434
"1452936"	275.038067	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H+K"	39.970434
"239356"	1062.245226	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+ACN+H"	42.033826
"1212790"	552.139526	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+ACN+H"	42.033826
"1197038"	276.573401	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+ACN+2H"	43.041102
"193190"	1065.18256	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+2Na-H"	44.97116
"633844"	1575.28826	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+2Na-H"	44.97116
"1138443"	555.07686	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2Na-H"	44.97116
"177356"	533.094918	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+2Na"	45.978436
"616915"	788.147768	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+2Na"	45.978436
"1122608"	278.042068	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2Na"	45.978436
"1409412"	185.697137333333	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H+2Na"	46.985712
"1441530"	557.118446	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H+HCOOH"	47.012746
"234869"	538.12794	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+3H2O+2H"	56.04448
"1522565"	571.17049	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+IsoProp+H"	61.06479
"423713"	541.081888	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+Na+K"	61.952376
"777781"	796.134738	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+Na+K"	61.952376
"1673018"	286.029038	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Na+K"	61.952376
"256262"	1084.227168	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+ACN+Na"	64.015768
"1236632"	574.121468	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+ACN+Na"	64.015768
"1720052"	574.144993	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+NH4+HCOOH"	64.039293
"1190874"	193.024451333333	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+3Na"	68.967654
"1654208"	579.100388	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Na+HCOOH"	68.994688
"161068"	1097.13044	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+2K-H"	76.91904
"606099"	1607.23614	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+2K-H"	76.91904
"1087331"	587.02474	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2K-H"	76.91904
"142445"	549.068858	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"2M+2K"	77.926316
"588086"	804.121708	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"3M+2K"	77.926316
"1069439"	294.016008	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2K"	77.926316
"1101434"	589.039292	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2K+H"	78.933592
"1341099"	589.126907	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+DMSO+H"	79.021207
"1010724"	593.166076	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2ACN+H"	83.060376
"1535413"	594.159708	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+IsoProp+Na+H"	84.054008
"1000768"	297.086676	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+2ACN+2H"	84.067652
"1594177"	595.074328	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+K+HCOOH"	84.968628
"1425304"	625.105838	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+H+CF3COOH"	115.000138
"1153406"	317.599951	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+3ACN+2H"	125.094202
"1708429"	642.132385	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+NH4+CF3COOH"	132.026685
"1640797"	647.08778	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+Na+CF3COOH"	136.98208
"1572438"	663.06172	"C08107"	"Cefuroxime axetil;Cefuroxime 1-acetoxyethyl ester"	"C20H22N4O10S"	"510.1057"	"M+K+CF3COOH"	152.95602
"811190"	446.0508	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M"	0
"986913"	427.03241	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-H2O-H"	-19.01839
"64221"	296.359924	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M-3H"	-3.021828
"505967"	445.043524	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M-3H"	-3.021828
"882674"	147.676324	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-3H"	-3.021828
"3437"	445.043524	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M-2H"	-2.014552
"443357"	668.068924	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M-2H"	-2.014552
"818737"	222.018124	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-2H"	-2.014552
"79573"	891.094324	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M-H"	-1.007276
"519496"	1337.145124	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M-H"	-1.007276
"906907"	445.043524	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-H"	-1.007276
"52534"	908.120871	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M-2H+NH4"	16.019271
"489908"	1354.171671	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M-2H+NH4"	16.019271
"866618"	462.070071	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-2H+NH4"	16.019271
"35612"	913.076266	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M-2H+Na"	20.974666
"476265"	1359.127066	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M-2H+Na"	20.974666
"851882"	467.025466	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-2H+Na"	20.974666
"1629072"	467.025466	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Na-2H"	20.974666
"97946"	463.031863	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M-H+Cl"	33.962126
"535068"	686.057263	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M-H+Cl"	33.962126
"930291"	240.006463	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-H+Cl"	33.962126
"269940"	927.071002	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+Cl"	34.969402
"661266"	1373.121802	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+Cl"	34.969402
"1274765"	481.020202	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Cl"	34.969402
"19873"	929.050206	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M-2H+K"	36.948606
"459434"	1375.101006	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M-2H+K"	36.948606
"836506"	482.999406	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-2H+K"	36.948606
"1556463"	482.999406	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+K-2H"	36.948606
"944226"	491.048994	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-H+HCOOH"	44.998194
"362442"	937.099801	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+HCOOH-H"	44.998201
"348147"	951.115451	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+Hac-H"	59.013851
"1496614"	505.064651	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Hac-H"	59.013851
"960878"	513.030951	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-H+NaCOOH"	66.980151
"113068"	481.020202	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+2Cl"	69.938804
"553722"	704.045602	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+2Cl"	69.938804
"1025074"	257.994802	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2Cl"	69.938804
"1241611"	524.969685	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Br"	78.918885
"1306369"	527.025672	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Cl+HCOOH"	80.974872
"1322046"	549.007629	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Cl+NaCOOH"	102.956829
"916384"	559.036386	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M-H+CF3COOH"	112.985586
"1291273"	595.013064	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Cl+CF3COOH"	148.962264
"1369800"	411.038124	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H-2H2O"	-35.012676
"1387297"	429.0481	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H-H2O"	-17.0027
"285524"	893.108876	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+H"	1.007276
"686334"	1339.159676	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+H"	1.007276
"1353931"	447.058076	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H"	1.007276
"140686"	447.058076	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+2H"	2.014552
"579515"	670.083476	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+2H"	2.014552
"1051597"	224.032676	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2H"	2.014552
"217309"	298.374476	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+3H"	3.021828
"653589"	447.058076	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+3H"	3.021828
"1176456"	149.690876	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+3H"	3.021828
"431708"	910.135423	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+NH4"	18.033823
"794892"	1356.186223	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+NH4"	18.033823
"1684663"	464.084623	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+NH4"	18.033823
"332574"	455.5713495	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+H+NH4"	19.041099
"723130"	678.5967495	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+H+NH4"	19.041099
"1479909"	232.5459495	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H+NH4"	19.041099
"394943"	915.090818	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+Na"	22.989218
"757763"	1361.141618	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+Na"	22.989218
"1610233"	469.040018	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Na"	22.989218
"322458"	458.049047	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+H+Na"	23.996494
"715972"	681.074447	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+H+Na"	23.996494
"1470886"	235.023647	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H+Na"	23.996494
"1061946"	157.01819	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2H+Na"	25.00377
"1262532"	479.084286	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+CH3OH+H"	33.033486
"385483"	931.064758	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+K"	38.963158
"748663"	1377.115558	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+K"	38.963158
"1549623"	485.013958	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+K"	38.963158
"299511"	466.036017	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+H+K"	39.970434
"701410"	689.061417	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+H+K"	39.970434
"1450859"	243.010617	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H+K"	39.970434
"236547"	934.135426	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+ACN+H"	42.033826
"1211201"	488.084626	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+ACN+H"	42.033826
"1199337"	244.545951	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+ACN+2H"	43.041102
"195486"	937.07276	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+2Na-H"	44.97116
"635048"	1383.12356	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+2Na-H"	44.97116
"1141831"	491.02196	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2Na-H"	44.97116
"176372"	469.040018	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+2Na"	45.978436
"622493"	692.065418	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+2Na"	45.978436
"1128916"	246.014618	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2Na"	45.978436
"1413170"	164.345504	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H+2Na"	46.985712
"1442734"	493.063546	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H+HCOOH"	47.012746
"232428"	474.07304	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+3H2O+2H"	56.04448
"1521219"	507.11559	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+IsoProp+H"	61.06479
"423782"	477.026988	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+Na+K"	61.952376
"780078"	700.052388	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+Na+K"	61.952376
"1673129"	254.001588	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Na+K"	61.952376
"256373"	956.117368	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+ACN+Na"	64.015768
"1239661"	510.066568	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+ACN+Na"	64.015768
"1726359"	510.090093	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+NH4+HCOOH"	64.039293
"1189891"	171.672818	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+3Na"	68.967654
"1656504"	515.045488	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Na+HCOOH"	68.994688
"161178"	969.02064	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+2K-H"	76.91904
"605115"	1415.07144	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+2K-H"	76.91904
"1094001"	522.96984	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2K-H"	76.91904
"148632"	485.013958	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"2M+2K"	77.926316
"586005"	708.039358	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"3M+2K"	77.926316
"1071608"	261.988558	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2K"	77.926316
"1104819"	524.984392	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2K+H"	78.933592
"1341205"	525.072007	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+DMSO+H"	79.021207
"1010834"	529.111176	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2ACN+H"	83.060376
"1524701"	530.104808	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+IsoProp+Na+H"	84.054008
"996502"	265.059226	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+2ACN+2H"	84.067652
"1589912"	531.019428	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+K+HCOOH"	84.968628
"1425414"	561.050938	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+H+CF3COOH"	115.000138
"1156798"	285.572501	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+3ACN+2H"	125.094202
"1708539"	578.077485	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+NH4+CF3COOH"	132.026685
"1637627"	583.03288	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+Na+CF3COOH"	136.98208
"1571575"	599.00682	"C08108"	"Cefuroxime sodium"	"C16H15N4O8SNa"	"446.0508"	"M+K+CF3COOH"	152.95602
"814583"	367.0935	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M"	0
"988117"	348.07511	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-H2O-H"	-19.01839
"69800"	243.721724	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M-3H"	-3.021828
"506079"	366.086224	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M-3H"	-3.021828
"883881"	121.357224	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-3H"	-3.021828
"5736"	366.086224	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M-2H"	-2.014552
"442014"	549.632974	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M-2H"	-2.014552
"822005"	182.539474	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-2H"	-2.014552
"80903"	733.179724	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M-H"	-1.007276
"531038"	1100.273224	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M-H"	-1.007276
"904832"	366.086224	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-H"	-1.007276
"54835"	750.206271	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M-2H+NH4"	16.019271
"498770"	1117.299771	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M-2H+NH4"	16.019271
"876571"	383.112771	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-2H+NH4"	16.019271
"44108"	755.161666	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M-2H+Na"	20.974666
"485127"	1122.255166	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M-2H+Na"	20.974666
"859648"	388.068166	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-2H+Na"	20.974666
"1629911"	388.068166	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Na-2H"	20.974666
"100242"	384.074563	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M-H+Cl"	33.962126
"547094"	567.621313	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M-H+Cl"	33.962126
"935505"	200.527813	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-H+Cl"	33.962126
"278437"	769.156402	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+Cl"	34.969402
"671954"	1136.249902	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+Cl"	34.969402
"1279983"	402.062902	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Cl"	34.969402
"25820"	771.135606	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M-2H+K"	36.948606
"461004"	1138.229106	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M-2H+K"	36.948606
"838806"	404.042106	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-2H+K"	36.948606
"1561202"	404.042106	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+K-2H"	36.948606
"946898"	412.091694	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-H+HCOOH"	44.998194
"363651"	779.185201	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+HCOOH-H"	44.998201
"348264"	793.200851	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+Hac-H"	59.013851
"1496005"	426.107351	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Hac-H"	59.013851
"964275"	434.073651	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-H+NaCOOH"	66.980151
"112086"	402.062902	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+2Cl"	69.938804
"553109"	585.609652	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+2Cl"	69.938804
"1024091"	218.516152	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2Cl"	69.938804
"1242212"	446.012385	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Br"	78.918885
"1304659"	448.068372	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Cl+HCOOH"	80.974872
"1320337"	470.050329	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Cl+NaCOOH"	102.956829
"912484"	480.079086	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M-H+CF3COOH"	112.985586
"1293212"	516.055764	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Cl+CF3COOH"	148.962264
"1370278"	332.080824	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H-2H2O"	-35.012676
"1387777"	350.0908	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H-H2O"	-17.0027
"291839"	735.194276	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+H"	1.007276
"688634"	1102.287776	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+H"	1.007276
"1363891"	368.100776	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H"	1.007276
"141271"	368.100776	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+2H"	2.014552
"575255"	551.647526	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+2H"	2.014552
"1042962"	184.554026	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2H"	2.014552
"215236"	245.736276	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+3H"	3.021828
"651516"	368.100776	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+3H"	3.021828
"1171828"	123.371776	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+3H"	3.021828
"429634"	752.220823	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+NH4"	18.033823
"788440"	1119.314323	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+NH4"	18.033823
"1685501"	385.127323	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+NH4"	18.033823
"334145"	376.6140495	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+H+NH4"	19.041099
"726929"	560.1607995	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+H+NH4"	19.041099
"1485855"	193.0672995	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H+NH4"	19.041099
"402349"	757.176218	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+Na"	22.989218
"762251"	1124.269718	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+Na"	22.989218
"1610346"	390.082718	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Na"	22.989218
"322571"	379.091747	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+H+Na"	23.996494
"717180"	562.638497	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+H+Na"	23.996494
"1468813"	195.544997	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H+Na"	23.996494
"1063151"	130.69909	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2H+Na"	25.00377
"1269205"	400.126986	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+CH3OH+H"	33.033486
"387781"	773.150158	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+K"	38.963158
"744401"	1140.243658	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+K"	38.963158
"1547548"	406.056658	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+K"	38.963158
"302539"	387.078717	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+H+K"	39.970434
"705175"	570.625467	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+H+K"	39.970434
"1457170"	203.531967	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H+K"	39.970434
"246137"	776.220826	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+ACN+H"	42.033826
"1216658"	409.127326	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+ACN+H"	42.033826
"1199446"	205.067301	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+ACN+2H"	43.041102
"198876"	779.15816	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+2Na-H"	44.97116
"638437"	1146.25166	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+2Na-H"	44.97116
"1142309"	412.06466	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2Na-H"	44.97116
"178669"	390.082718	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+2Na"	45.978436
"619323"	573.629468	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+2Na"	45.978436
"1123922"	206.535968	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2Na"	45.978436
"1406352"	138.026404	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H+2Na"	46.985712
"1443210"	414.106246	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H+HCOOH"	47.012746
"233633"	395.11574	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+3H2O+2H"	56.04448
"1522790"	428.15829	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+IsoProp+H"	61.06479
"415916"	398.069688	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+Na+K"	61.952376
"779103"	581.616438	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+Na+K"	61.952376
"1680539"	214.522938	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Na+K"	61.952376
"265603"	798.202768	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+ACN+Na"	64.015768
"1229201"	431.109268	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+ACN+Na"	64.015768
"1719180"	431.132793	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+NH4+HCOOH"	64.039293
"1187813"	145.353718	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+3Na"	68.967654
"1653701"	436.088188	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Na+HCOOH"	68.994688
"162385"	811.10604	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+2K-H"	76.91904
"601941"	1178.19954	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+2K-H"	76.91904
"1086823"	444.01254	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2K-H"	76.91904
"145095"	406.056658	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"2M+2K"	77.926316
"583931"	589.603408	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"3M+2K"	77.926316
"1070627"	222.509908	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2K"	77.926316
"1100923"	446.027092	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2K+H"	78.933592
"1336821"	446.114707	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+DMSO+H"	79.021207
"1008756"	450.153876	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2ACN+H"	83.060376
"1525057"	451.147508	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+IsoProp+Na+H"	84.054008
"990653"	225.580576	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+2ACN+2H"	84.067652
"1590022"	452.062128	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+K+HCOOH"	84.968628
"1426617"	482.093638	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+H+CF3COOH"	115.000138
"1159094"	246.093851	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+3ACN+2H"	125.094202
"1706460"	499.120185	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+NH4+CF3COOH"	132.026685
"1637737"	504.07558	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+Na+CF3COOH"	136.98208
"1571443"	520.04952	"C08109"	"Loracarbef monohydrate"	"C16H16ClN3O4H2O"	"367.0935"	"M+K+CF3COOH"	152.95602
"810317"	395.0358	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M"	0
"988226"	376.01741	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-H2O-H"	-19.01839
"67721"	262.349924	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M-3H"	-3.021828
"507281"	394.028524	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M-3H"	-3.021828
"882894"	130.671324	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-3H"	-3.021828
"5844"	394.028524	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M-2H"	-2.014552
"442485"	591.546424	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M-2H"	-2.014552
"817373"	196.510624	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-2H"	-2.014552
"78573"	789.064324	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M-H"	-1.007276
"518775"	1184.100124	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M-H"	-1.007276
"904940"	394.028524	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-H"	-1.007276
"48501"	806.090871	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M-2H+NH4"	16.019271
"488059"	1201.126671	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M-2H+NH4"	16.019271
"869023"	411.055071	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-2H+NH4"	16.019271
"32060"	811.046266	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M-2H+Na"	20.974666
"474299"	1206.082066	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M-2H+Na"	20.974666
"862310"	416.010466	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-2H+Na"	20.974666
"1629292"	416.010466	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Na-2H"	20.974666
"97073"	412.016863	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M-H+Cl"	33.962126
"547204"	609.534763	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M-H+Cl"	33.962126
"934522"	214.498963	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-H+Cl"	33.962126
"279641"	825.041002	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+Cl"	34.969402
"670971"	1220.076802	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+Cl"	34.969402
"1276814"	430.005202	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Cl"	34.969402
"21557"	827.020206	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M-2H+K"	36.948606
"461114"	1222.056006	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M-2H+K"	36.948606
"836730"	431.984406	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-2H+K"	36.948606
"1561310"	431.984406	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+K-2H"	36.948606
"944821"	440.033994	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-H+HCOOH"	44.998194
"363034"	835.069801	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+HCOOH-H"	44.998201
"349105"	849.085451	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+Hac-H"	59.013851
"1496115"	454.049651	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Hac-H"	59.013851
"961469"	462.015951	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-H+NaCOOH"	66.980151
"110375"	430.005202	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+2Cl"	69.938804
"552851"	627.523102	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+2Cl"	69.938804
"1023836"	232.487302	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2Cl"	69.938804
"1245236"	473.954685	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Br"	78.918885
"1305984"	476.010672	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Cl+HCOOH"	80.974872
"1320810"	497.992629	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Cl+NaCOOH"	102.956829
"912594"	508.021386	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M-H+CF3COOH"	112.985586
"1291496"	543.998064	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Cl+CF3COOH"	148.962264
"1371847"	360.023124	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H-2H2O"	-35.012676
"1386427"	378.0331	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H-H2O"	-17.0027
"289759"	791.078876	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+H"	1.007276
"685462"	1186.114676	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+H"	1.007276
"1362908"	396.043076	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H"	1.007276
"137260"	396.043076	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+2H"	2.014552
"570991"	593.560976	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+2H"	2.014552
"1045257"	198.525176	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2H"	2.014552
"212064"	264.364476	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+3H"	3.021828
"651626"	396.043076	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+3H"	3.021828
"1168658"	132.685876	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+3H"	3.021828
"427557"	808.105423	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+NH4"	18.033823
"791833"	1203.141223	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+NH4"	18.033823
"1683057"	413.069623	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+NH4"	18.033823
"331701"	404.5563495	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+H+NH4"	19.041099
"724488"	602.0742495	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+H+NH4"	19.041099
"1482685"	207.0384495	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H+NH4"	19.041099
"396991"	813.060818	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+Na"	22.989218
"761266"	1208.096618	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+Na"	22.989218
"1610457"	418.025018	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Na"	22.989218
"319401"	407.034047	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+H+Na"	23.996494
"712916"	604.551947	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+H+Na"	23.996494
"1465642"	209.516147	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H+Na"	23.996494
"1059981"	140.01319	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2H+Na"	25.00377
"1268222"	428.069286	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+CH3OH+H"	33.033486
"385704"	829.034758	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+K"	38.963158
"743418"	1224.070558	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+K"	38.963158
"1550938"	433.998958	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+K"	38.963158
"303743"	415.021017	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+H+K"	39.970434
"705285"	612.538917	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+H+K"	39.970434
"1457647"	217.503117	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H+K"	39.970434
"245154"	832.105426	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+ACN+H"	42.033826
"1215675"	437.069626	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+ACN+H"	42.033826
"1199556"	219.038451	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+ACN+2H"	43.041102
"194614"	835.04276	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+2Na-H"	44.97116
"637457"	1230.07856	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+2Na-H"	44.97116
"1141692"	440.00696	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2Na-H"	44.97116
"177686"	418.025018	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+2Na"	45.978436
"622714"	615.542918	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+2Na"	45.978436
"1125126"	220.507118	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2Na"	45.978436
"1407556"	147.340504	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H+2Na"	46.985712
"1438579"	442.048546	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H+HCOOH"	47.012746
"230829"	423.05804	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+3H2O+2H"	56.04448
"1521808"	456.10059	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+IsoProp+H"	61.06479
"416026"	426.011988	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+Na+K"	61.952376
"779213"	623.529888	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+Na+K"	61.952376
"1680648"	228.494088	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Na+K"	61.952376
"267052"	854.087368	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+ACN+Na"	64.015768
"1230403"	459.051568	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+ACN+Na"	64.015768
"1723663"	459.075093	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+NH4+HCOOH"	64.039293
"1191205"	154.667818	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+3Na"	68.967654
"1658914"	464.030488	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Na+HCOOH"	68.994688
"167963"	866.99064	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+2K-H"	76.91904
"599502"	1262.02644	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+2K-H"	76.91904
"1087662"	471.95484	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2K-H"	76.91904
"145935"	433.998958	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"2M+2K"	77.926316
"583069"	631.516858	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"3M+2K"	77.926316
"1070010"	236.481058	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2K"	77.926316
"1101764"	473.969392	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2K+H"	78.933592
"1337055"	474.057007	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+DMSO+H"	79.021207
"1007162"	478.096176	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2ACN+H"	83.060376
"1525898"	479.089808	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+IsoProp+Na+H"	84.054008
"992345"	239.551726	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+2ACN+2H"	84.067652
"1592318"	480.004428	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+K+HCOOH"	84.968628
"1423447"	510.035938	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+H+CF3COOH"	115.000138
"1158110"	260.065001	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+3ACN+2H"	125.094202
"1705477"	527.062485	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+NH4+CF3COOH"	132.026685
"1638939"	532.01788	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+Na+CF3COOH"	136.98208
"1572404"	547.99182	"C08110"	"Cefdinir"	"C14H13N5O5S2"	"395.0358"	"M+K+CF3COOH"	152.95602
"810427"	480.125	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M"	0
"986150"	461.10661	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-H2O-H"	-19.01839
"66008"	319.076057333333	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M-3H"	-3.021828
"504473"	479.117724	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M-3H"	-3.021828
"881544"	159.034390666667	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-3H"	-3.021828
"4860"	479.117724	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M-2H"	-2.014552
"444417"	719.180224	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M-2H"	-2.014552
"817242"	239.055224	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-2H"	-2.014552
"79418"	959.242724	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M-H"	-1.007276
"519704"	1439.367724	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M-H"	-1.007276
"903957"	479.117724	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-H"	-1.007276
"48975"	976.269271	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M-2H+NH4"	16.019271
"488290"	1456.394271	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M-2H+NH4"	16.019271
"869133"	496.144271	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-2H+NH4"	16.019271
"32659"	981.224666	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M-2H+Na"	20.974666
"474773"	1461.349666	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M-2H+Na"	20.974666
"856587"	501.099666	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-2H+Na"	20.974666
"1630495"	501.099666	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Na-2H"	20.974666
"98275"	497.106063	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M-H+Cl"	33.962126
"547557"	737.168563	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M-H+Cl"	33.962126
"935725"	257.043563	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-H+Cl"	33.962126
"279751"	995.219402	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+Cl"	34.969402
"673146"	1475.344402	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+Cl"	34.969402
"1276924"	515.094402	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Cl"	34.969402
"21667"	997.198606	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M-2H+K"	36.948606
"461224"	1477.323606	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M-2H+K"	36.948606
"836840"	517.073606	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-2H+K"	36.948606
"1561420"	517.073606	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+K-2H"	36.948606
"945659"	525.123194	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-H+HCOOH"	44.998194
"364967"	1005.248201	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+HCOOH-H"	44.998201
"351402"	1019.263851	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+Hac-H"	59.013851
"1495862"	539.138851	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Hac-H"	59.013851
"964495"	547.105151	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-H+NaCOOH"	66.980151
"118870"	515.094402	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+2Cl"	69.938804
"558430"	755.156902	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+2Cl"	69.938804
"1030510"	275.031902	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2Cl"	69.938804
"1251181"	559.043885	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Br"	78.918885
"1317639"	561.099872	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Cl+HCOOH"	80.974872
"1330032"	583.081829	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Cl+NaCOOH"	102.956829
"913072"	593.110586	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M-H+CF3COOH"	112.985586
"1292700"	629.087264	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Cl+CF3COOH"	148.962264
"1371593"	445.112324	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H-2H2O"	-35.012676
"1386537"	463.1223	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H-H2O"	-17.0027
"290963"	961.257276	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+H"	1.007276
"685574"	1441.382276	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+H"	1.007276
"1364112"	481.132276	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H"	1.007276
"140650"	481.132276	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+2H"	2.014552
"570008"	721.194776	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+2H"	2.014552
"1045367"	241.069776	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2H"	2.014552
"212174"	321.090609333333	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+3H"	3.021828
"652830"	481.132276	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+3H"	3.021828
"1168768"	161.048942666667	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+3H"	3.021828
"426938"	978.283823	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+NH4"	18.033823
"789027"	1458.408823	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+NH4"	18.033823
"1683897"	498.158823	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+NH4"	18.033823
"330838"	489.6455495	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+H+NH4"	19.041099
"724234"	729.7080495	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+H+NH4"	19.041099
"1481702"	249.5830495	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H+NH4"	19.041099
"399288"	983.239218	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+Na"	22.989218
"761377"	1463.364218	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+Na"	22.989218
"1607288"	503.114218	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Na"	22.989218
"322792"	492.123247	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+H+Na"	23.996494
"715214"	732.185747	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+H+Na"	23.996494
"1467940"	252.060747	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H+Na"	23.996494
"1062279"	168.376256666667	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2H+Na"	25.00377
"1265053"	513.158486	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+CH3OH+H"	33.033486
"386910"	999.213158	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+K"	38.963158
"745716"	1479.338158	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+K"	38.963158
"1548863"	519.088158	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+K"	38.963158
"302760"	500.110217	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+H+K"	39.970434
"704664"	740.172717	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+H+K"	39.970434
"1456298"	260.047717	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H+K"	39.970434
"245994"	1002.283826	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+ACN+H"	42.033826
"1214690"	522.158826	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+ACN+H"	42.033826
"1198571"	261.583051	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+ACN+2H"	43.041102
"198002"	1005.22116	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+2Na-H"	44.97116
"635379"	1485.34616	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+2Na-H"	44.97116
"1142163"	525.09616	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2Na-H"	44.97116
"181077"	503.114218	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+2Na"	45.978436
"625376"	743.176718	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+2Na"	45.978436
"1129248"	263.051718	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2Na"	45.978436
"1410949"	175.703570666667	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H+2Na"	46.985712
"1441606"	527.137746	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H+HCOOH"	47.012746
"229119"	508.14724	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+3H2O+2H"	56.04448
"1521190"	541.18979	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+IsoProp+H"	61.06479
"417233"	511.101188	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+Na+K"	61.952376
"779323"	751.163688	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+Na+K"	61.952376
"1676748"	271.038688	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Na+K"	61.952376
"266557"	1024.265768	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+ACN+Na"	64.015768
"1234888"	544.140768	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+ACN+Na"	64.015768
"1727059"	544.164293	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+NH4+HCOOH"	64.039293
"1192053"	183.030884666667	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+3Na"	68.967654
"1657930"	549.119688	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Na+HCOOH"	68.994688
"163699"	1037.16904	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+2K-H"	76.91904
"603256"	1517.29404	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+2K-H"	76.91904
"1089956"	557.04404	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2K-H"	76.91904
"148959"	519.088158	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"2M+2K"	77.926316
"586337"	759.150658	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"3M+2K"	77.926316
"1077408"	279.025658	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2K"	77.926316
"1108432"	559.058592	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2K+H"	78.933592
"1337525"	559.146207	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+DMSO+H"	79.021207
"1011158"	563.185376	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2ACN+H"	83.060376
"1529284"	564.179008	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+IsoProp+Na+H"	84.054008
"993547"	282.096326	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+2ACN+2H"	84.067652
"1587685"	565.093628	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+K+HCOOH"	84.968628
"1424650"	595.125138	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+H+CF3COOH"	115.000138
"1151658"	302.609601	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+3ACN+2H"	125.094202
"1704493"	612.151685	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+NH4+CF3COOH"	132.026685
"1637956"	617.10708	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+Na+CF3COOH"	136.98208
"1571782"	633.08102	"C08111"	"Cefepime"	"C19H24N6O5S2"	"480.125"	"M+K+CF3COOH"	152.95602
"815640"	667.1243	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M"	0
"988082"	648.10591	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-H2O-H"	-19.01839
"69034"	443.742257333333	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M-3H"	-3.021828
"508593"	666.117024	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M-3H"	-3.021828
"883114"	221.367490666667	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-3H"	-3.021828
"7157"	666.117024	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M-2H"	-2.014552
"443434"	999.679174	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M-2H"	-2.014552
"819053"	332.554874	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-2H"	-2.014552
"80381"	1333.241324	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M-H"	-1.007276
"519330"	2000.365624	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M-H"	-1.007276
"904067"	666.117024	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-H"	-1.007276
"49693"	1350.267871	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M-2H+NH4"	16.019271
"488402"	2017.392171	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M-2H+NH4"	16.019271
"866327"	683.143571	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-2H+NH4"	16.019271
"33862"	1355.223266	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M-2H+Na"	20.974666
"473423"	2022.347566	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M-2H+Na"	20.974666
"856697"	688.098966	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-2H+Na"	20.974666
"1625137"	688.098966	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Na-2H"	20.974666
"100573"	684.105363	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M-H+Cl"	33.962126
"546695"	1017.667513	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M-H+Cl"	33.962126
"935835"	350.543213	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-H+Cl"	33.962126
"276581"	1369.218002	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+Cl"	34.969402
"673985"	2036.342302	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+Cl"	34.969402
"1283595"	702.093702	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Cl"	34.969402
"25057"	1371.197206	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M-2H+K"	36.948606
"463522"	2038.321506	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M-2H+K"	36.948606
"839137"	704.072906	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-2H+K"	36.948606
"1561531"	704.072906	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+K-2H"	36.948606
"947228"	712.122494	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-H+HCOOH"	44.998194
"366536"	1379.246801	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+HCOOH-H"	44.998201
"351512"	1393.262451	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+Hac-H"	59.013851
"1495972"	726.138151	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Hac-H"	59.013851
"966792"	734.104451	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-H+NaCOOH"	66.980151
"119709"	702.093702	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+2Cl"	69.938804
"558540"	1035.655852	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+2Cl"	69.938804
"1032806"	368.531552	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2Cl"	69.938804
"1253478"	746.043185	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Br"	78.918885
"1315926"	748.099172	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Cl+HCOOH"	80.974872
"1323216"	770.081129	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Cl+NaCOOH"	102.956829
"912453"	780.109886	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M-H+CF3COOH"	112.985586
"1292811"	816.086564	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Cl+CF3COOH"	148.962264
"1372796"	632.111624	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H-2H2O"	-35.012676
"1390294"	650.1216	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H-H2O"	-17.0027
"291074"	1335.255876	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+H"	1.007276
"690057"	2002.380176	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+H"	1.007276
"1363129"	668.131576	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H"	1.007276
"140399"	668.131576	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+2H"	2.014552
"573398"	1001.693726	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+2H"	2.014552
"1045477"	334.569426	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2H"	2.014552
"212284"	445.756809333333	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+3H"	3.021828
"651846"	668.131576	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+3H"	3.021828
"1166690"	223.382042666667	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+3H"	3.021828
"425952"	1352.282423	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+NH4"	18.033823
"790958"	2019.406723	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+NH4"	18.033823
"1688383"	685.158123	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+NH4"	18.033823
"335203"	676.6448495	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+H+NH4"	19.041099
"733093"	1010.2069995	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+H+NH4"	19.041099
"1483264"	343.0826995	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H+NH4"	19.041099
"397210"	1357.237818	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+Na"	22.989218
"762579"	2024.362118	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+Na"	22.989218
"1608490"	690.113518	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Na"	22.989218
"321806"	679.122547	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+H+Na"	23.996494
"715324"	1012.684697	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+H+Na"	23.996494
"1468050"	345.560397	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H+Na"	23.996494
"1059110"	230.709356666667	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2H+Na"	25.00377
"1262977"	700.157786	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+CH3OH+H"	33.033486
"387749"	1373.211758	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+K"	38.963158
"750929"	2040.336058	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+K"	38.963158
"1551160"	706.087458	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+K"	38.963158
"303964"	687.109517	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+H+K"	39.970434
"704411"	1020.671667	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+H+K"	39.970434
"1457502"	353.547367	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H+K"	39.970434
"248657"	1376.282426	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+ACN+H"	42.033826
"1222092"	709.158126	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+ACN+H"	42.033826
"1200870"	355.082701	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+ACN+2H"	43.041102
"197751"	1379.21976	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+2Na-H"	44.97116
"641322"	2046.34406	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+2Na-H"	44.97116
"1142274"	712.09546	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2Na-H"	44.97116
"185563"	690.113518	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+2Na"	45.978436
"625489"	1023.675668	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+2Na"	45.978436
"1128995"	356.551368	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2Na"	45.978436
"1411426"	238.036670666667	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H+2Na"	46.985712
"1442081"	714.137046	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H+HCOOH"	47.012746
"232871"	695.14654	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+3H2O+2H"	56.04448
"1523815"	728.18909	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+IsoProp+H"	61.06479
"420623"	698.100488	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+Na+K"	61.952376
"778339"	1031.662638	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+Na+K"	61.952376
"1674672"	364.538338	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Na+K"	61.952376
"266508"	1398.264368	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+ACN+Na"	64.015768
"1239741"	731.140068	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+ACN+Na"	64.015768
"1726079"	731.163593	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+NH4+HCOOH"	64.039293
"1192526"	245.363984666667	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+3Na"	68.967654
"1662411"	736.118988	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Na+HCOOH"	68.994688
"168178"	1411.16764	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+2K-H"	76.91904
"605557"	2078.29194	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+2K-H"	76.91904
"1092256"	744.04334	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2K-H"	76.91904
"146888"	706.087458	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"2M+2K"	77.926316
"586447"	1039.649608	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"3M+2K"	77.926316
"1070961"	372.525308	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2K"	77.926316
"1105264"	746.057892	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2K+H"	78.933592
"1341645"	746.145507	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+DMSO+H"	79.021207
"1010175"	750.184676	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2ACN+H"	83.060376
"1530491"	751.178308	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+IsoProp+Na+H"	84.054008
"993657"	375.595976	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+2ACN+2H"	84.067652
"1589256"	752.092928	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+K+HCOOH"	84.968628
"1424760"	782.124438	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+H+CF3COOH"	115.000138
"1149215"	396.109251	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+3ACN+2H"	125.094202
"1704601"	799.150985	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+NH4+CF3COOH"	132.026685
"1636971"	804.10638	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+Na+CF3COOH"	136.98208
"1572620"	820.08032	"C08112"	"Cefoperazone sodium"	"C25H26N9O8S2Na"	"667.1243"	"M+K+CF3COOH"	152.95602
"815020"	477.0389	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M"	0
"988192"	458.02051	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-H2O-H"	-19.01839
"74611"	317.018657333333	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M-3H"	-3.021828
"508703"	476.031624	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M-3H"	-3.021828
"883224"	158.005690666667	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-3H"	-3.021828
"7267"	476.031624	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M-2H"	-2.014552
"442451"	714.551074	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M-2H"	-2.014552
"822444"	237.512174	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-2H"	-2.014552
"85717"	953.070524	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M-H"	-1.007276
"523089"	1430.109424	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M-H"	-1.007276
"903084"	476.031624	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-H"	-1.007276
"50897"	970.097071	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M-2H+NH4"	16.019271
"488512"	1447.135971	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M-2H+NH4"	16.019271
"870446"	493.058171	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-2H+NH4"	16.019271
"33972"	975.052466	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M-2H+Na"	20.974666
"476813"	1452.091366	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M-2H+Na"	20.974666
"856803"	498.013566	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-2H+Na"	20.974666
"1623424"	498.013566	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Na-2H"	20.974666
"99587"	494.019963	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M-H+Cl"	33.962126
"539511"	732.539413	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M-H+Cl"	33.962126
"935945"	255.500513	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-H+Cl"	33.962126
"278877"	989.047202	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+Cl"	34.969402
"675189"	1466.086102	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+Cl"	34.969402
"1282611"	512.008302	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Cl"	34.969402
"27354"	991.026406	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M-2H+K"	36.948606
"464725"	1468.065306	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M-2H+K"	36.948606
"840340"	513.987506	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-2H+K"	36.948606
"1562734"	513.987506	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+K-2H"	36.948606
"947338"	522.037094	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-H+HCOOH"	44.998194
"369926"	999.076001	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+HCOOH-H"	44.998201
"355631"	1013.091651	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+Hac-H"	59.013851
"1499361"	536.052751	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Hac-H"	59.013851
"969090"	544.019051	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-H+NaCOOH"	66.980151
"124194"	512.008302	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+2Cl"	69.938804
"563755"	750.527752	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+2Cl"	69.938804
"1033282"	273.488852	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2Cl"	69.938804
"1255413"	555.957785	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Br"	78.918885
"1318834"	558.013772	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Cl+HCOOH"	80.974872
"1326973"	579.995729	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Cl+NaCOOH"	102.956829
"925321"	590.024486	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M-H+CF3COOH"	112.985586
"1293651"	626.001164	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Cl+CF3COOH"	148.962264
"1374000"	442.026224	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H-2H2O"	-35.012676
"1390404"	460.0362	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H-H2O"	-17.0027
"292277"	955.085076	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+H"	1.007276
"689803"	1432.123976	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+H"	1.007276
"1365062"	478.046176	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H"	1.007276
"141280"	478.046176	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+2H"	2.014552
"570592"	716.565626	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+2H"	2.014552
"1044494"	239.526726	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2H"	2.014552
"217499"	319.033209333333	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+3H"	3.021828
"654143"	478.046176	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+3H"	3.021828
"1171175"	160.020242666667	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+3H"	3.021828
"428979"	972.111623	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+NH4"	18.033823
"795442"	1449.150523	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+NH4"	18.033823
"1687398"	495.072723	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+NH4"	18.033823
"341511"	486.5594495	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+H+NH4"	19.041099
"732473"	725.0788995	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+H+NH4"	19.041099
"1485200"	248.0399995	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H+NH4"	19.041099
"400600"	977.067018	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+Na"	22.989218
"761596"	1454.105918	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+Na"	22.989218
"1607506"	500.028118	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Na"	22.989218
"320823"	489.037147	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+H+Na"	23.996494
"714341"	727.556597	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+H+Na"	23.996494
"1467066"	250.517697	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H+Na"	23.996494
"1061408"	167.347556666667	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2H+Na"	25.00377
"1263087"	510.072386	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+CH3OH+H"	33.033486
"387129"	993.040958	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+K"	38.963158
"749217"	1470.079858	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+K"	38.963158
"1550177"	516.002058	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+K"	38.963158
"306261"	497.024117	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+H+K"	39.970434
"705613"	735.543567	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+H+K"	39.970434
"1457977"	258.504667	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H+K"	39.970434
"246579"	996.111626	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+ACN+H"	42.033826
"1218192"	519.072726	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+ACN+H"	42.033826
"1202073"	260.040001	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+ACN+2H"	43.041102
"200413"	999.04896	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+2Na-H"	44.97116
"637786"	1476.08786	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+2Na-H"	44.97116
"1146765"	522.01006	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2Na-H"	44.97116
"185309"	500.028118	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+2Na"	45.978436
"627303"	738.547568	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+2Na"	45.978436
"1128741"	261.508668	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2Na"	45.978436
"1410806"	174.674870666667	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H+2Na"	46.985712
"1443288"	524.051646	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H+HCOOH"	47.012746
"233347"	505.06114	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+3H2O+2H"	56.04448
"1523234"	538.10369	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+IsoProp+H"	61.06479
"418546"	508.015088	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+Na+K"	61.952376
"782823"	746.534538	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+Na+K"	61.952376
"1680128"	269.495638	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Na+K"	61.952376
"266417"	1018.093568	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+ACN+Na"	64.015768
"1240219"	541.054668	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+ACN+Na"	64.015768
"1727890"	541.078193	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+NH4+HCOOH"	64.039293
"1193000"	182.002184666667	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+3Na"	68.967654
"1665277"	546.033588	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Na+HCOOH"	68.994688
"171205"	1030.99684	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+2K-H"	76.91904
"607854"	1508.03574	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+2K-H"	76.91904
"1090543"	553.95794	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2K-H"	76.91904
"149184"	516.002058	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"2M+2K"	77.926316
"589838"	754.521508	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"3M+2K"	77.926316
"1077632"	277.482608	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2K"	77.926316
"1108656"	555.972492	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2K+H"	78.933592
"1343943"	556.060107	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+DMSO+H"	79.021207
"1009192"	560.099276	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2ACN+H"	83.060376
"1530601"	561.092908	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+IsoProp+Na+H"	84.054008
"992672"	280.553276	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+2ACN+2H"	84.067652
"1592644"	562.007528	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+K+HCOOH"	84.968628
"1418306"	592.039038	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+H+CF3COOH"	115.000138
"1148960"	301.066551	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+3ACN+2H"	125.094202
"1704711"	609.065585	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+NH4+CF3COOH"	132.026685
"1637081"	614.02098	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+Na+CF3COOH"	136.98208
"1572367"	629.99492	"C08113"	"Cefotaxime sodium"	"C16H16N5O7S2Na"	"477.0389"	"M+K+CF3COOH"	152.95602
"814037"	427.062	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M"	0
"987938"	408.04361	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-H2O-H"	-19.01839
"68161"	283.700724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M-3H"	-3.021828
"505533"	426.054724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M-3H"	-3.021828
"883334"	141.346724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-3H"	-3.021828
"4097"	426.054724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M-2H"	-2.014552
"441468"	639.585724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M-2H"	-2.014552
"820367"	212.523724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-2H"	-2.014552
"82543"	853.116724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M-H"	-1.007276
"523199"	1280.178724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M-H"	-1.007276
"903194"	426.054724	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-H"	-1.007276
"52101"	870.143271	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M-2H+NH4"	16.019271
"489595"	1297.205271	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M-2H+NH4"	16.019271
"870556"	443.081271	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-2H+NH4"	16.019271
"35176"	875.098666	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M-2H+Na"	20.974666
"479110"	1302.160666	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M-2H+Na"	20.974666
"860193"	448.036666	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-2H+Na"	20.974666
"1622805"	448.036666	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Na-2H"	20.974666
"99698"	444.043063	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M-H+Cl"	33.962126
"541443"	657.574063	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M-H+Cl"	33.962126
"936055"	230.512063	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-H+Cl"	33.962126
"277894"	889.093402	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+Cl"	34.969402
"674815"	1316.155402	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+Cl"	34.969402
"1282721"	462.031402	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Cl"	34.969402
"27464"	891.072606	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M-2H+K"	36.948606
"464835"	1318.134606	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M-2H+K"	36.948606
"839357"	464.010606	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-2H+K"	36.948606
"1561750"	464.010606	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+K-2H"	36.948606
"947447"	472.060194	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-H+HCOOH"	44.998194
"371129"	899.122201	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+HCOOH-H"	44.998201
"357198"	913.137851	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+Hac-H"	59.013851
"1501658"	486.075851	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Hac-H"	59.013851
"969198"	494.042151	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-H+NaCOOH"	66.980151
"123211"	462.031402	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+2Cl"	69.938804
"559853"	675.562402	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+2Cl"	69.938804
"1033756"	248.500402	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2Cl"	69.938804
"1255158"	505.980885	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Br"	78.918885
"1317971"	508.036872	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Cl+HCOOH"	80.974872
"1330362"	530.018829	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Cl+NaCOOH"	102.956829
"915954"	540.047586	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M-H+CF3COOH"	112.985586
"1289382"	576.024264	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Cl+CF3COOH"	148.962264
"1373016"	392.049324	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H-2H2O"	-35.012676
"1386138"	410.0593	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H-H2O"	-17.0027
"293480"	855.131276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+H"	1.007276
"689184"	1282.193276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+H"	1.007276
"1366711"	428.069276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H"	1.007276
"140621"	428.069276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+2H"	2.014552
"575805"	641.600276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+2H"	2.014552
"1047884"	214.538276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2H"	2.014552
"217612"	285.715276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+3H"	3.021828
"652067"	428.069276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+3H"	3.021828
"1168370"	143.361276	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+3H"	3.021828
"429088"	872.157823	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+NH4"	18.033823
"794459"	1299.219823	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+NH4"	18.033823
"1685684"	445.095823	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+NH4"	18.033823
"337245"	436.5825495	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+H+NH4"	19.041099
"732582"	650.1135495	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+H+NH4"	19.041099
"1484216"	223.0515495	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H+NH4"	19.041099
"400710"	877.113218	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+Na"	22.989218
"760614"	1304.175218	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+Na"	22.989218
"1608710"	450.051218	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Na"	22.989218
"319839"	439.060247	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+H+Na"	23.996494
"714451"	652.591247	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+H+Na"	23.996494
"1466084"	225.529247	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H+Na"	23.996494
"1058236"	150.68859	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2H+Na"	25.00377
"1265384"	460.095486	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+CH3OH+H"	33.033486
"389426"	893.087158	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+K"	38.963158
"748234"	1320.149158	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+K"	38.963158
"1547006"	466.025158	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+K"	38.963158
"304184"	447.047217	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+H+K"	39.970434
"706697"	660.578217	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+H+K"	39.970434
"1460762"	233.516217	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H+K"	39.970434
"249849"	896.157826	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+ACN+H"	42.033826
"1221582"	469.095826	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+ACN+H"	42.033826
"1201091"	235.051551	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+ACN+2H"	43.041102
"199794"	899.09516	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+2Na-H"	44.97116
"640814"	1326.15716	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+2Na-H"	44.97116
"1146758"	472.03316	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2Na-H"	44.97116
"185782"	450.051218	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+2Na"	45.978436
"626077"	663.582218	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+2Na"	45.978436
"1128851"	236.520218	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2Na"	45.978436
"1412011"	158.015904	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H+2Na"	46.985712
"1443761"	474.074746	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H+HCOOH"	47.012746
"233457"	455.08424	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+3H2O+2H"	56.04448
"1523344"	488.12679	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+IsoProp+H"	61.06479
"418656"	458.038188	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+Na+K"	61.952376
"776373"	671.569188	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+Na+K"	61.952376
"1677079"	244.507188	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Na+K"	61.952376
"267005"	918.139768	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+ACN+Na"	64.015768
"1241202"	491.077768	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+ACN+Na"	64.015768
"1727513"	491.101293	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+NH4+HCOOH"	64.039293
"1194146"	165.343218	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+3Na"	68.967654
"1664091"	496.056688	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Na+HCOOH"	68.994688
"170586"	931.04304	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+2K-H"	76.91904
"605777"	1358.10504	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+2K-H"	76.91904
"1091382"	503.98104	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2K-H"	76.91904
"148201"	466.025158	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"2M+2K"	77.926316
"588855"	679.556158	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"3M+2K"	77.926316
"1075556"	252.494158	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2K"	77.926316
"1105486"	505.995592	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2K+H"	78.933592
"1345146"	506.083207	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+DMSO+H"	79.021207
"1018050"	510.122376	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2ACN+H"	83.060376
"1530708"	511.116008	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+IsoProp+Na+H"	84.054008
"991688"	255.564826	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+2ACN+2H"	84.067652
"1590567"	512.030628	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+K+HCOOH"	84.968628
"1415133"	542.062138	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+H+CF3COOH"	115.000138
"1148341"	276.078101	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+3ACN+2H"	125.094202
"1703729"	559.088685	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+NH4+CF3COOH"	132.026685
"1637191"	564.04408	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+Na+CF3COOH"	136.98208
"1572113"	580.01802	"C08114"	"Cefpodoxime"	"C15H17N5O6S2"	"427.062"	"M+K+CF3COOH"	152.95602
"816215"	557.125	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M"	0
"988776"	538.10661	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-H2O-H"	-19.01839
"71551"	370.409390666667	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M-3H"	-3.021828
"508923"	556.117724	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M-3H"	-3.021828
"883444"	184.701057333333	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-3H"	-3.021828
"4207"	556.117724	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M-2H"	-2.014552
"444860"	834.680224	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M-2H"	-2.014552
"821570"	277.555224	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-2H"	-2.014552
"81923"	1113.242724	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M-H"	-1.007276
"525496"	1670.367724	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M-H"	-1.007276
"903304"	556.117724	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-H"	-1.007276
"50388"	1130.269271	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M-2H+NH4"	16.019271
"492864"	1687.394271	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M-2H+NH4"	16.019271
"870666"	573.144271	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-2H+NH4"	16.019271
"33099"	1135.224666	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M-2H+Na"	20.974666
"475939"	1692.349666	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M-2H+Na"	20.974666
"857022"	578.099666	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-2H+Na"	20.974666
"1631295"	578.099666	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Na-2H"	20.974666
"104178"	574.106063	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M-H+Cl"	33.962126
"547747"	852.668563	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M-H+Cl"	33.962126
"941143"	295.543563	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-H+Cl"	33.962126
"275811"	1149.219402	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+Cl"	34.969402
"663495"	1706.344402	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+Cl"	34.969402
"1275170"	592.094402	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Cl"	34.969402
"18452"	1151.198606	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M-2H+K"	36.948606
"458379"	1708.323606	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M-2H+K"	36.948606
"840556"	594.073606	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-2H+K"	36.948606
"1559671"	594.073606	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+K-2H"	36.948606
"949742"	602.123194	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-H+HCOOH"	44.998194
"365769"	1159.248201	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+HCOOH-H"	44.998201
"350745"	1173.263851	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+Hac-H"	59.013851
"1501767"	616.138851	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Hac-H"	59.013851
"961288"	624.105151	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-H+NaCOOH"	66.980151
"116028"	592.094402	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+2Cl"	69.938804
"557776"	870.656902	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+2Cl"	69.938804
"1027670"	313.531902	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2Cl"	69.938804
"1248341"	636.043885	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Br"	78.918885
"1306413"	638.099872	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Cl+HCOOH"	80.974872
"1321726"	660.081829	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Cl+NaCOOH"	102.956829
"912416"	670.110586	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M-H+CF3COOH"	112.985586
"1289494"	706.087264	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Cl+CF3COOH"	148.962264
"1367140"	522.112324	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H-2H2O"	-35.012676
"1386249"	540.1223	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H-H2O"	-17.0027
"293590"	1115.257276	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+H"	1.007276
"691121"	1672.382276	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+H"	1.007276
"1364550"	558.132276	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H"	1.007276
"138535"	558.132276	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+2H"	2.014552
"577744"	836.694776	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+2H"	2.014552
"1050060"	279.569776	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2H"	2.014552
"217722"	372.423942666667	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+3H"	3.021828
"654364"	558.132276	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+3H"	3.021828
"1167022"	186.715609333333	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+3H"	3.021828
"431020"	1132.283823	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+NH4"	18.033823
"795662"	1689.408823	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+NH4"	18.033823
"1690898"	575.158823	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+NH4"	18.033823
"339178"	566.6455495	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+H+NH4"	19.041099
"732694"	845.2080495	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+H+NH4"	19.041099
"1485420"	288.0830495	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H+NH4"	19.041099
"397541"	1137.239218	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+Na"	22.989218
"760723"	1694.364218	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+Na"	22.989218
"1611006"	580.114218	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Na"	22.989218
"322137"	569.123247	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+H+Na"	23.996494
"715655"	847.685747	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+H+Na"	23.996494
"1467289"	290.560747	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H+Na"	23.996494
"1061628"	194.042923333333	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2H+Na"	25.00377
"1267681"	590.158486	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+CH3OH+H"	33.033486
"391484"	1153.213158	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+K"	38.963158
"748346"	1710.338158	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+K"	38.963158
"1550398"	596.088158	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+K"	38.963158
"311584"	577.110217	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+H+K"	39.970434
"697814"	855.672717	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+H+K"	39.970434
"1453822"	298.547717	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H+K"	39.970434
"246797"	1156.283826	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+ACN+H"	42.033826
"1218412"	599.158826	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+ACN+H"	42.033826
"1201201"	300.083051	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+ACN+2H"	43.041102
"194073"	1159.22116	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+2Na-H"	44.97116
"638006"	1716.34616	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+2Na-H"	44.97116
"1140419"	602.09616	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2Na-H"	44.97116
"186993"	580.114218	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+2Na"	45.978436
"622173"	858.676718	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+2Na"	45.978436
"1123857"	301.551718	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2Na"	45.978436
"1410299"	201.370237333333	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H+2Na"	46.985712
"1442052"	604.137746	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H+HCOOH"	47.012746
"230653"	585.14724	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+3H2O+2H"	56.04448
"1522241"	618.18979	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+IsoProp+H"	61.06479
"419863"	588.101188	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+Na+K"	61.952376
"785397"	866.663688	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+Na+K"	61.952376
"1680967"	309.538688	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Na+K"	61.952376
"265549"	1178.265768	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+ACN+Na"	64.015768
"1240890"	621.140768	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+ACN+Na"	64.015768
"1727916"	621.164293	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+NH4+HCOOH"	64.039293
"1193586"	208.697551333333	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+3Na"	68.967654
"1663111"	626.119688	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Na+HCOOH"	68.994688
"169971"	1191.16904	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+2K-H"	76.91904
"606981"	1748.29404	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+2K-H"	76.91904
"1094407"	634.04404	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2K-H"	76.91904
"153048"	596.088158	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"2M+2K"	77.926316
"591517"	874.650658	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"3M+2K"	77.926316
"1079308"	317.525658	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2K"	77.926316
"1108510"	636.058592	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2K+H"	78.933592
"1345257"	636.146207	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+DMSO+H"	79.021207
"1016703"	640.185376	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2ACN+H"	83.060376
"1531912"	641.179008	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+IsoProp+Na+H"	84.054008
"996173"	320.596326	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+2ACN+2H"	84.067652
"1590676"	642.093628	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+K+HCOOH"	84.968628
"1419619"	672.125138	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+H+CF3COOH"	115.000138
"1151000"	341.109601	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+3ACN+2H"	125.094202
"1699460"	689.151685	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+NH4+CF3COOH"	132.026685
"1637304"	694.10708	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+Na+CF3COOH"	136.98208
"1571858"	710.08102	"C08115"	"Cefpodoxime proxetil"	"C21H27N5O9S2"	"557.125"	"M+K+CF3COOH"	152.95602
"816689"	410.0355	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M"	0
"988765"	391.01711	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-H2O-H"	-19.01839
"65465"	272.349724	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M-3H"	-3.021828
"509033"	409.028224	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M-3H"	-3.021828
"882460"	135.671224	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-3H"	-3.021828
"4317"	409.028224	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M-2H"	-2.014552
"441690"	614.045974	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M-2H"	-2.014552
"821680"	204.010474	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-2H"	-2.014552
"82034"	819.063724	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M-H"	-1.007276
"523418"	1229.099224	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M-H"	-1.007276
"898304"	409.028224	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-H"	-1.007276
"52316"	836.090271	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M-2H+NH4"	16.019271
"490782"	1246.125771	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M-2H+NH4"	16.019271
"865548"	426.054771	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-2H+NH4"	16.019271
"33330"	841.045666	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M-2H+Na"	20.974666
"476049"	1251.081166	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M-2H+Na"	20.974666
"857132"	431.010166	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-2H+Na"	20.974666
"1627759"	431.010166	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Na-2H"	20.974666
"104288"	427.016563	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M-H+Cl"	33.962126
"547857"	632.034313	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M-H+Cl"	33.962126
"941495"	221.998813	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-H+Cl"	33.962126
"279201"	855.040402	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+Cl"	34.969402
"666156"	1265.075902	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+Cl"	34.969402
"1275281"	445.004902	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Cl"	34.969402
"19657"	857.019606	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M-2H+K"	36.948606
"458853"	1267.055106	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M-2H+K"	36.948606
"836292"	446.984106	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-2H+K"	36.948606
"1560146"	446.984106	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+K-2H"	36.948606
"947666"	455.033694	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-H+HCOOH"	44.998194
"364786"	865.069201	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+HCOOH-H"	44.998201
"354136"	879.084851	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+Hac-H"	59.013851
"1499692"	469.049351	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Hac-H"	59.013851
"963953"	477.015651	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-H+NaCOOH"	66.980151
"117233"	445.004902	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+2Cl"	69.938804
"557887"	650.022652	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+2Cl"	69.938804
"1031060"	239.987152	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2Cl"	69.938804
"1251732"	488.954385	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Br"	78.918885
"1307617"	491.010372	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Cl+HCOOH"	80.974872
"1324387"	512.992329	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Cl+NaCOOH"	102.956829
"912891"	523.021086	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M-H+CF3COOH"	112.985586
"1288870"	558.997764	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Cl+CF3COOH"	148.962264
"1368372"	375.022824	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H-2H2O"	-35.012676
"1389640"	393.0328	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H-H2O"	-17.0027
"290420"	821.078276	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+H"	1.007276
"689405"	1231.113776	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+H"	1.007276
"1363568"	411.042776	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H"	1.007276
"138645"	411.042776	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+2H"	2.014552
"579308"	616.060526	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+2H"	2.014552
"1047012"	206.025026	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2H"	2.014552
"218196"	274.364276	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+3H"	3.021828
"653381"	411.042776	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+3H"	3.021828
"1169320"	137.685776	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+3H"	3.021828
"431130"	838.104823	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+NH4"	18.033823
"795772"	1248.140323	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+NH4"	18.033823
"1692103"	428.069323	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+NH4"	18.033823
"342571"	419.5560495	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+H+NH4"	19.041099
"733896"	624.5737995	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+H+NH4"	19.041099
"1486624"	214.5382995	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H+NH4"	19.041099
"397651"	843.060218	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+Na"	22.989218
"760832"	1253.095718	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+Na"	22.989218
"1607840"	433.024718	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Na"	22.989218
"320066"	422.033747	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+H+Na"	23.996494
"714676"	627.051497	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+H+Na"	23.996494
"1472868"	217.015997	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H+Na"	23.996494
"1061739"	145.01309	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2H+Na"	25.00377
"1268884"	443.068986	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+CH3OH+H"	33.033486
"391470"	859.034158	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+K"	38.963158
"748457"	1269.069658	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+K"	38.963158
"1549416"	448.998658	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+K"	38.963158
"308779"	430.020717	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+H+K"	39.970434
"693913"	635.038467	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+H+K"	39.970434
"1449558"	225.002967	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H+K"	39.970434
"244720"	862.104826	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+ACN+H"	42.033826
"1220709"	452.069326	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+ACN+H"	42.033826
"1203498"	226.538301	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+ACN+2H"	43.041102
"195276"	865.04216	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+2Na-H"	44.97116
"635931"	1275.07766	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+2Na-H"	44.97116
"1137250"	455.00666	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2Na-H"	44.97116
"184547"	433.024718	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+2Na"	45.978436
"621191"	638.042468	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+2Na"	45.978436
"1123967"	228.006968	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2Na"	45.978436
"1409681"	152.340404	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H+2Na"	46.985712
"1442891"	457.048246	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H+HCOOH"	47.012746
"232586"	438.05774	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+3H2O+2H"	56.04448
"1523324"	471.10029	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+IsoProp+H"	61.06479
"421067"	441.011688	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+Na+K"	61.952376
"785411"	646.029438	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+Na+K"	61.952376
"1680836"	235.993938	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Na+K"	61.952376
"265902"	884.086768	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+ACN+Na"	64.015768
"1240676"	474.051268	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+ACN+Na"	64.015768
"1728225"	474.074793	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+NH4+HCOOH"	64.039293
"1193091"	159.667718	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+3Na"	68.967654
"1664678"	479.030188	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Na+HCOOH"	68.994688
"171906"	896.99004	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+2K-H"	76.91904
"607454"	1307.02554	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+2K-H"	76.91904
"1093790"	486.95454	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2K-H"	76.91904
"155709"	448.998658	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"2M+2K"	77.926316
"591259"	654.016408	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"3M+2K"	77.926316
"1080514"	243.980908	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2K"	77.926316
"1108983"	488.969092	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2K+H"	78.933592
"1346096"	489.056707	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+DMSO+H"	79.021207
"1015722"	493.095876	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2ACN+H"	83.060376
"1533116"	494.089508	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+IsoProp+Na+H"	84.054008
"1004304"	247.051576	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+2ACN+2H"	84.067652
"1598443"	495.004128	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+K+HCOOH"	84.968628
"1417539"	525.035638	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+H+CF3COOH"	115.000138
"1150017"	267.564851	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+3ACN+2H"	125.094202
"1698838"	542.062185	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+NH4+CF3COOH"	132.026685
"1636317"	547.01758	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+Na+CF3COOH"	136.98208
"1573062"	562.99152	"C08117"	"Ceftibuten"	"C15H14N4O6S2"	"410.0355"	"M+K+CF3COOH"	152.95602
"812180"	405.0178	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M"	0
"988633"	385.99941	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-H2O-H"	-19.01839
"65211"	269.004590666667	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M-3H"	-3.021828
"506956"	404.010524	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M-3H"	-3.021828
"885850"	133.998657333333	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-3H"	-3.021828
"4427"	404.010524	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M-2H"	-2.014552
"449454"	606.519424	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M-2H"	-2.014552
"822883"	201.501624	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-2H"	-2.014552
"83967"	809.028324	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M-H"	-1.007276
"524621"	1214.046124	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M-H"	-1.007276
"898535"	404.010524	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-H"	-1.007276
"52426"	826.054871	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M-2H+NH4"	16.019271
"488826"	1231.072671	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M-2H+NH4"	16.019271
"867723"	421.037071	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-2H+NH4"	16.019271
"32587"	831.010266	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M-2H+Na"	20.974666
"474092"	1236.028066	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M-2H+Na"	20.974666
"853962"	425.992466	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-2H+Na"	20.974666
"1625682"	425.992466	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Na-2H"	20.974666
"102211"	421.998863	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M-H+Cl"	33.962126
"547239"	624.507763	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M-H+Cl"	33.962126
"935287"	219.489963	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-H+Cl"	33.962126
"277124"	845.005002	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+Cl"	34.969402
"666266"	1250.022802	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+Cl"	34.969402
"1275755"	439.987202	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Cl"	34.969402
"17943"	846.984206	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M-2H+K"	36.948606
"459692"	1252.002006	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M-2H+K"	36.948606
"835675"	441.966406	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-2H+K"	36.948606
"1563174"	441.966406	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+K-2H"	36.948606
"949964"	450.015994	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-H+HCOOH"	44.998194
"367086"	855.033801	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+HCOOH-H"	44.998201
"349876"	869.049451	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+Hac-H"	59.013851
"1498707"	464.031651	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Hac-H"	59.013851
"967344"	471.997951	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-H+NaCOOH"	66.980151
"111147"	439.987202	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+2Cl"	69.938804
"556904"	642.496102	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+2Cl"	69.938804
"1023517"	237.478302	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2Cl"	69.938804
"1247468"	483.936685	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Br"	78.918885
"1308823"	485.992672	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Cl+HCOOH"	80.974872
"1324133"	507.974629	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Cl+NaCOOH"	102.956829
"914463"	518.003386	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M-H+CF3COOH"	112.985586
"1290074"	553.980064	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Cl+CF3COOH"	148.962264
"1369331"	370.005124	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H-2H2O"	-35.012676
"1385372"	388.0151	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H-H2O"	-17.0027
"286152"	811.042876	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+H"	1.007276
"680763"	1216.060676	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+H"	1.007276
"1363673"	406.025076	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H"	1.007276
"140453"	406.025076	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+2H"	2.014552
"579414"	608.533976	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+2H"	2.014552
"1044935"	203.516176	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2H"	2.014552
"212837"	271.019142666667	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+3H"	3.021828
"653491"	406.025076	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+3H"	3.021828
"1169430"	136.013209333333	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+3H"	3.021828
"430512"	828.069423	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+NH4"	18.033823
"793696"	1233.087223	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+NH4"	18.033823
"1688931"	423.051623	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+NH4"	18.033823
"336120"	414.5383495	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+H+NH4"	19.041099
"729997"	617.0472495	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+H+NH4"	19.041099
"1483456"	212.0294495	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H+NH4"	19.041099
"396669"	833.024818	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+Na"	22.989218
"757662"	1238.042618	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+Na"	22.989218
"1607950"	428.007018	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Na"	22.989218
"322359"	417.016047	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+H+Na"	23.996494
"716970"	619.524947	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+H+Na"	23.996494
"1471883"	214.507147	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H+Na"	23.996494
"1060754"	143.340523333333	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2H+Na"	25.00377
"1264621"	438.051286	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+CH3OH+H"	33.033486
"390124"	848.998758	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+K"	38.963158
"743100"	1254.016558	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+K"	38.963158
"1550622"	443.980958	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+K"	38.963158
"309982"	425.003017	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+H+K"	39.970434
"694754"	627.511917	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+H+K"	39.970434
"1450760"	222.494117	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H+K"	39.970434
"244830"	852.069426	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+ACN+H"	42.033826
"1216445"	447.051626	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+ACN+H"	42.033826
"1204702"	224.029451	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+ACN+2H"	43.041102
"199394"	855.00676	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+2Na-H"	44.97116
"636040"	1260.02456	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+2Na-H"	44.97116
"1138454"	449.98896	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2Na-H"	44.97116
"182833"	428.007018	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+2Na"	45.978436
"619115"	630.515918	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+2Na"	45.978436
"1121528"	225.498118	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2Na"	45.978436
"1408697"	150.667837333333	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H+2Na"	46.985712
"1445190"	452.030546	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H+HCOOH"	47.012746
"230143"	433.04004	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+3H2O+2H"	56.04448
"1522945"	466.08259	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+IsoProp+H"	61.06479
"420083"	435.993988	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+Na+K"	61.952376
"785221"	638.502888	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+Na+K"	61.952376
"1680944"	233.485088	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Na+K"	61.952376
"266617"	874.051368	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+ACN+Na"	64.015768
"1241029"	469.033568	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+ACN+Na"	64.015768
"1728053"	469.057093	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+NH4+HCOOH"	64.039293
"1193443"	157.995151333333	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+3Na"	68.967654
"1663698"	474.012488	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Na+HCOOH"	68.994688
"172025"	886.95464	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+2K-H"	76.91904
"609021"	1291.97244	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+2K-H"	76.91904
"1096817"	481.93684	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2K-H"	76.91904
"154725"	443.980958	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"2M+2K"	77.926316
"592829"	646.489858	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"3M+2K"	77.926316
"1079895"	241.472058	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2K"	77.926316
"1110186"	483.951392	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2K+H"	78.933592
"1346570"	484.039007	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+DMSO+H"	79.021207
"1016194"	488.078176	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2ACN+H"	83.060376
"1532133"	489.071808	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+IsoProp+Na+H"	84.054008
"1003320"	244.542726	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+2ACN+2H"	84.067652
"1600376"	489.986428	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+K+HCOOH"	84.968628
"1417649"	520.017938	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+H+CF3COOH"	115.000138
"1150127"	265.056001	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+3ACN+2H"	125.094202
"1702963"	537.044485	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+NH4+CF3COOH"	132.026685
"1638614"	541.99988	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+Na+CF3COOH"	136.98208
"1573537"	557.97382	"C08118"	"Ceftizoxime sodium"	"C13H12N5O5S2Na"	"405.0178"	"M+K+CF3COOH"	152.95602
"811197"	465.157	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M"	0
"989107"	446.13861	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-H2O-H"	-19.01839
"65321"	309.097390666667	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M-3H"	-3.021828
"509253"	464.149724	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M-3H"	-3.021828
"887054"	154.045057333333	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-3H"	-3.021828
"11098"	464.149724	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M-2H"	-2.014552
"453940"	696.728224	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M-2H"	-2.014552
"822993"	231.571224	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-2H"	-2.014552
"87357"	929.306724	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M-H"	-1.007276
"524731"	1394.463724	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M-H"	-1.007276
"900347"	464.149724	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-H"	-1.007276
"52536"	946.333271	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M-2H+NH4"	16.019271
"492097"	1411.490271	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M-2H+NH4"	16.019271
"867712"	481.176271	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-2H+NH4"	16.019271
"32454"	951.288666	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M-2H+Na"	20.974666
"472622"	1416.445666	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M-2H+Na"	20.974666
"854072"	486.131666	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-2H+Na"	20.974666
"1624698"	486.131666	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Na-2H"	20.974666
"102321"	482.138063	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M-H+Cl"	33.962126
"538602"	714.716563	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M-H+Cl"	33.962126
"932118"	249.559563	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-H+Cl"	33.962126
"275047"	965.283402	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+Cl"	34.969402
"665283"	1430.440402	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+Cl"	34.969402
"1275501"	500.126402	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Cl"	34.969402
"18538"	967.262606	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M-2H+K"	36.948606
"458342"	1432.419606	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M-2H+K"	36.948606
"836515"	502.105606	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-2H+K"	36.948606
"1564377"	502.105606	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+K-2H"	36.948606
"950074"	510.155194	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-H+HCOOH"	44.998194
"373757"	975.312201	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+HCOOH-H"	44.998201
"352173"	989.327851	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+Hac-H"	59.013851
"1498818"	524.170851	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Hac-H"	59.013851
"967455"	532.137151	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-H+NaCOOH"	66.980151
"116360"	500.126402	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+2Cl"	69.938804
"561754"	732.704902	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+2Cl"	69.938804
"1024721"	267.547902	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2Cl"	69.938804
"1246485"	544.075885	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Br"	78.918885
"1308933"	546.131872	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Cl+HCOOH"	80.974872
"1323150"	568.113829	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Cl+NaCOOH"	102.956829
"914209"	578.142586	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M-H+CF3COOH"	112.985586
"1289212"	614.119264	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Cl+CF3COOH"	148.962264
"1368346"	430.144324	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H-2H2O"	-35.012676
"1385478"	448.1543	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H-H2O"	-17.0027
"286264"	931.321276	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+H"	1.007276
"679778"	1396.478276	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+H"	1.007276
"1360504"	466.164276	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H"	1.007276
"134485"	466.164276	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+2H"	2.014552
"579886"	698.742776	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+2H"	2.014552
"1050512"	233.585776	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2H"	2.014552
"216227"	311.111942666667	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+3H"	3.021828
"653601"	466.164276	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+3H"	3.021828
"1173915"	156.059609333333	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+3H"	3.021828
"434999"	948.347823	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+NH4"	18.033823
"791985"	1413.504823	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+NH4"	18.033823
"1682845"	483.190823	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+NH4"	18.033823
"335135"	474.6775495	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+H+NH4"	19.041099
"727919"	707.2560495	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+H+NH4"	19.041099
"1479551"	242.0990495	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H+NH4"	19.041099
"395684"	953.303218	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+Na"	22.989218
"757770"	1418.460218	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+Na"	22.989218
"1605870"	488.146218	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Na"	22.989218
"315542"	477.155247	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+H+Na"	23.996494
"710516"	709.733747	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+H+Na"	23.996494
"1462027"	244.576747	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H+Na"	23.996494
"1056489"	163.386923333333	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2H+Na"	25.00377
"1261084"	498.190486	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+CH3OH+H"	33.033486
"385495"	969.277158	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+K"	38.963158
"749770"	1434.434158	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+K"	38.963158
"1551821"	504.120158	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+K"	38.963158
"304623"	485.142217	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+H+K"	39.970434
"702513"	717.720717	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+H+K"	39.970434
"1451964"	252.563717	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H+K"	39.970434
"240566"	972.347826	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+ACN+H"	42.033826
"1214370"	507.190826	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+ACN+H"	42.033826
"1201531"	254.099051	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+ACN+2H"	43.041102
"193309"	975.28516	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+2Na-H"	44.97116
"637243"	1440.44216	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+2Na-H"	44.97116
"1139653"	510.12816	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2Na-H"	44.97116
"184404"	488.146218	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+2Na"	45.978436
"626153"	720.724718	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+2Na"	45.978436
"1123823"	255.567718	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2Na"	45.978436
"1409534"	170.714237333333	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H+2Na"	46.985712
"1443838"	512.169746	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H+HCOOH"	47.012746
"233171"	493.17924	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+3H2O+2H"	56.04448
"1521599"	526.22179	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+IsoProp+H"	61.06479
"419097"	496.133188	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+Na+K"	61.952376
"785494"	728.711688	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+Na+K"	61.952376
"1681057"	263.554688	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Na+K"	61.952376
"266363"	994.329768	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+ACN+Na"	64.015768
"1241008"	529.172768	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+ACN+Na"	64.015768
"1728074"	529.196293	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+NH4+HCOOH"	64.039293
"1193549"	178.041551333333	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+3Na"	68.967654
"1662711"	534.151688	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Na+HCOOH"	68.994688
"171642"	1007.23304	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+2K-H"	76.91904
"608400"	1472.39004	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+2K-H"	76.91904
"1095469"	542.07604	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2K-H"	76.91904
"150462"	504.120158	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"2M+2K"	77.926316
"591482"	736.698658	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"3M+2K"	77.926316
"1077091"	271.541658	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2K"	77.926316
"1108111"	544.090592	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2K+H"	78.933592
"1345587"	544.178207	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+DMSO+H"	79.021207
"1014118"	548.217376	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2ACN+H"	83.060376
"1532245"	549.211008	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+IsoProp+Na+H"	84.054008
"1002337"	274.612326	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+2ACN+2H"	84.067652
"1597568"	550.125628	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+K+HCOOH"	84.968628
"1417759"	580.157138	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+H+CF3COOH"	115.000138
"1149144"	295.125601	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+3ACN+2H"	125.094202
"1703073"	597.183685	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+NH4+CF3COOH"	132.026685
"1644193"	602.13908	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+Na+CF3COOH"	136.98208
"1574375"	618.11302	"C08122"	"Bacampicillin"	"C21H27N3O7S"	"465.157"	"M+K+CF3COOH"	152.95602
"812400"	501.1336	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M"	0
"989460"	482.11521	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-H2O-H"	-19.01839
"65431"	333.081790666667	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M-3H"	-3.021828
"510456"	500.126324	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M-3H"	-3.021828
"888257"	166.037257333333	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-3H"	-3.021828
"13395"	500.126324	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M-2H"	-2.014552
"451862"	750.693124	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M-2H"	-2.014552
"824196"	249.559524	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-2H"	-2.014552
"87467"	1001.259924	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M-H"	-1.007276
"522289"	1502.393524	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M-H"	-1.007276
"900821"	500.126324	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-H"	-1.007276
"53739"	1018.286471	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M-2H+NH4"	16.019271
"493301"	1519.420071	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M-2H+NH4"	16.019271
"870009"	517.152871	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-2H+NH4"	16.019271
"36818"	1023.241866	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M-2H+Na"	20.974666
"474192"	1524.375466	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M-2H+Na"	20.974666
"857462"	522.108266	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-2H+Na"	20.974666
"1628088"	522.108266	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Na-2H"	20.974666
"104618"	518.114663	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M-H+Cl"	33.962126
"543086"	768.681463	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M-H+Cl"	33.962126
"935508"	267.547863	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-H+Cl"	33.962126
"279531"	1037.236602	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+Cl"	34.969402
"665392"	1538.370202	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+Cl"	34.969402
"1278891"	536.103002	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Cl"	34.969402
"20352"	1039.215806	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M-2H+K"	36.948606
"459181"	1540.349406	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M-2H+K"	36.948606
"836625"	538.082206	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-2H+K"	36.948606
"1565581"	538.082206	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+K-2H"	36.948606
"951277"	546.131794	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-H+HCOOH"	44.998194
"376054"	1047.265401	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+HCOOH-H"	44.998201
"354470"	1061.281051	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+Hac-H"	59.013851
"1502208"	560.147451	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Hac-H"	59.013851
"970117"	568.113751	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-H+NaCOOH"	66.980151
"116470"	536.103002	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+2Cl"	69.938804
"561498"	786.669802	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+2Cl"	69.938804
"1032850"	285.536202	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2Cl"	69.938804
"1247688"	580.052485	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Br"	78.918885
"1313416"	582.108472	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Cl+HCOOH"	80.974872
"1325445"	604.090429	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Cl+NaCOOH"	102.956829
"914319"	614.119186	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M-H+CF3COOH"	112.985586
"1289201"	650.095864	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Cl+CF3COOH"	148.962264
"1368458"	466.120924	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H-2H2O"	-35.012676
"1384497"	484.1309	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H-H2O"	-17.0027
"287468"	1003.274476	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+H"	1.007276
"679888"	1504.408076	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+H"	1.007276
"1360613"	502.140876	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H"	1.007276
"136781"	502.140876	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+2H"	2.014552
"580482"	752.707676	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+2H"	2.014552
"1052610"	251.574076	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2H"	2.014552
"217432"	335.096342666667	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+3H"	3.021828
"658812"	502.140876	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+3H"	3.021828
"1176940"	168.051809333333	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+3H"	3.021828
"436202"	1020.301023	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+NH4"	18.033823
"798291"	1521.434623	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+NH4"	18.033823
"1684779"	519.167423	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+NH4"	18.033823
"337433"	510.6541495	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+H+NH4"	19.041099
"729852"	761.2209495	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+H+NH4"	19.041099
"1483671"	260.0873495	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H+NH4"	19.041099
"395795"	1025.256418	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+Na"	22.989218
"760068"	1526.390018	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+Na"	22.989218
"1607074"	524.122818	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Na"	22.989218
"317111"	513.131847	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+H+Na"	23.996494
"712812"	763.698647	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+H+Na"	23.996494
"1464447"	262.565047	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H+Na"	23.996494
"1058786"	175.379123333333	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2H+Na"	25.00377
"1261559"	534.167086	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+CH3OH+H"	33.033486
"388883"	1041.230358	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+K"	38.963158
"750972"	1542.363958	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+K"	38.963158
"1551931"	540.096758	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+K"	38.963158
"311293"	521.118817	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+H+K"	39.970434
"704444"	771.685617	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+H+K"	39.970434
"1458269"	270.552017	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H+K"	39.970434
"245048"	1044.301026	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+ACN+H"	42.033826
"1217759"	543.167426	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+ACN+H"	42.033826
"1206381"	272.087351	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+ACN+2H"	43.041102
"198883"	1047.23836	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+2Na-H"	44.97116
"639540"	1548.37196	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+2Na-H"	44.97116
"1137580"	546.10476	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2Na-H"	44.97116
"183054"	524.122818	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+2Na"	45.978436
"627355"	774.689618	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+2Na"	45.978436
"1125026"	273.556018	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2Na"	45.978436
"1406363"	182.706437333333	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H+2Na"	46.985712
"1441396"	548.146346	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H+HCOOH"	47.012746
"229269"	529.15584	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+3H2O+2H"	56.04448
"1519886"	562.19839	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+IsoProp+H"	61.06479
"415927"	532.109788	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+Na+K"	61.952376
"785533"	782.676588	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+Na+K"	61.952376
"1681105"	281.542988	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Na+K"	61.952376
"267110"	1066.282968	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+ACN+Na"	64.015768
"1241038"	565.149368	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+ACN+Na"	64.015768
"1728186"	565.172893	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+NH4+HCOOH"	64.039293
"1192201"	190.033751333333	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+3Na"	68.967654
"1663549"	570.128288	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Na+HCOOH"	68.994688
"172563"	1079.18624	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+2K-H"	76.91904
"608877"	1580.31984	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+2K-H"	76.91904
"1095944"	578.05264	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2K-H"	76.91904
"152028"	540.096758	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"2M+2K"	77.926316
"591592"	790.663558	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"3M+2K"	77.926316
"1078295"	289.529958	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2K"	77.926316
"1112232"	580.067192	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2K+H"	78.933592
"1346065"	580.154807	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+DMSO+H"	79.021207
"1016415"	584.193976	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2ACN+H"	83.060376
"1533448"	585.187608	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+IsoProp+Na+H"	84.054008
"1002083"	292.600626	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+2ACN+2H"	84.067652
"1600594"	586.102228	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+K+HCOOH"	84.968628
"1418963"	616.133738	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+H+CF3COOH"	115.000138
"1150347"	313.113901	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+3ACN+2H"	125.094202
"1703183"	633.160285	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+NH4+CF3COOH"	132.026685
"1644303"	638.11568	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+Na+CF3COOH"	136.98208
"1574485"	654.08962	"C08123"	"Bacampicillin hydrochloride"	"C21H27N3O7SHCl"	"501.1336"	"M+K+CF3COOH"	152.95602
"814697"	436.1069	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M"	0
"988236"	417.08851	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-H2O-H"	-19.01839
"64446"	289.730657333333	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M-3H"	-3.021828
"506193"	435.099624	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M-3H"	-3.021828
"887274"	144.361690666667	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-3H"	-3.021828
"5851"	435.099624	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M-2H"	-2.014552
"446505"	653.153074	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M-2H"	-2.014552
"821023"	217.046174	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-2H"	-2.014552
"82109"	871.206524	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M-H"	-1.007276
"521669"	1307.313424	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M-H"	-1.007276
"897283"	435.099624	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-H"	-1.007276
"47319"	888.233071	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M-2H+NH4"	16.019271
"487568"	1324.339971	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M-2H+NH4"	16.019271
"864887"	452.126171	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-2H+NH4"	16.019271
"32066"	893.188466	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M-2H+Na"	20.974666
"471623"	1329.295366	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M-2H+Na"	20.974666
"849310"	457.081566	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-2H+Na"	20.974666
"1621638"	457.081566	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Na-2H"	20.974666
"97074"	453.087963	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M-H+Cl"	33.962126
"539915"	671.141413	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M-H+Cl"	33.962126
"929058"	235.034513	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-H+Cl"	33.962126
"271987"	907.183202	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+Cl"	34.969402
"662222"	1343.290102	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+Cl"	34.969402
"1273535"	471.076302	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Cl"	34.969402
"16817"	909.162406	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M-2H+K"	36.948606
"458929"	1345.269306	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M-2H+K"	36.948606
"840015"	473.055506	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-2H+K"	36.948606
"1564598"	473.055506	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+K-2H"	36.948606
"950294"	481.105094	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-H+HCOOH"	44.998194
"376165"	917.212001	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+HCOOH-H"	44.998201
"355674"	931.227651	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+Hac-H"	59.013851
"1499038"	495.120751	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Hac-H"	59.013851
"967675"	503.087051	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-H+NaCOOH"	66.980151
"112207"	471.076302	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+2Cl"	69.938804
"560515"	689.129752	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+2Cl"	69.938804
"1029680"	253.022852	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2Cl"	69.938804
"1247798"	515.025785	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Br"	78.918885
"1313526"	517.081772	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Cl+HCOOH"	80.974872
"1326648"	539.063729	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Cl+NaCOOH"	102.956829
"914429"	549.092486	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M-H+CF3COOH"	112.985586
"1290042"	585.069164	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Cl+CF3COOH"	148.962264
"1368567"	401.094224	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H-2H2O"	-35.012676
"1384241"	419.1042	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H-H2O"	-17.0027
"285391"	873.221076	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+H"	1.007276
"678905"	1309.327976	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+H"	1.007276
"1359630"	437.114176	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H"	1.007276
"136891"	437.114176	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+2H"	2.014552
"580105"	655.167626	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+2H"	2.014552
"1051826"	219.060726	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2H"	2.014552
"216450"	291.745209333333	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+3H"	3.021828
"657100"	437.114176	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+3H"	3.021828
"1175955"	146.376242666667	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+3H"	3.021828
"436312"	890.247623	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+NH4"	18.033823
"797307"	1326.354523	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+NH4"	18.033823
"1685254"	454.140723	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+NH4"	18.033823
"338636"	445.6274495	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+H+NH4"	19.041099
"732149"	663.6808995	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+H+NH4"	19.041099
"1480503"	227.5739995	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H+NH4"	19.041099
"398090"	895.203018	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+Na"	22.989218
"759085"	1331.309918	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+Na"	22.989218
"1607184"	459.096118	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Na"	22.989218
"317221"	448.105147	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+H+Na"	23.996494
"712922"	666.158597	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+H+Na"	23.996494
"1462369"	230.051697	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H+Na"	23.996494
"1058896"	153.703556666667	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2H+Na"	25.00377
"1262762"	469.140386	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+CH3OH+H"	33.033486
"387900"	911.176958	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+K"	38.963158
"748896"	1347.283858	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+K"	38.963158
"1552041"	475.070058	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+K"	38.963158
"308123"	456.092117	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+H+K"	39.970434
"701274"	674.145567	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+H+K"	39.970434
"1456195"	238.038667	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H+K"	39.970434
"244066"	914.247626	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+ACN+H"	42.033826
"1214590"	478.140726	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+ACN+H"	42.033826
"1204667"	239.574001	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+ACN+2H"	43.041102
"195715"	917.18496	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+2Na-H"	44.97116
"640381"	1353.29186	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+2Na-H"	44.97116
"1144251"	481.07806	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2Na-H"	44.97116
"182071"	459.096118	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+2Na"	45.978436
"626736"	677.149568	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+2Na"	45.978436
"1122950"	241.042668	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2Na"	45.978436
"1403193"	161.030870666667	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H+2Na"	46.985712
"1433123"	483.119646	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H+HCOOH"	47.012746
"227192"	464.12914	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+3H2O+2H"	56.04448
"1516350"	497.17169	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+IsoProp+H"	61.06479
"412757"	467.083088	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+Na+K"	61.952376
"785644"	685.136538	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+Na+K"	61.952376
"1680541"	249.029638	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Na+K"	61.952376
"267101"	936.229568	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+ACN+Na"	64.015768
"1238800"	500.122668	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+ACN+Na"	64.015768
"1726955"	500.146193	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+NH4+HCOOH"	64.039293
"1192310"	168.358184666667	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+3Na"	68.967654
"1664025"	505.101588	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Na+HCOOH"	68.994688
"171980"	949.13284	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+2K-H"	76.91904
"607530"	1385.23974	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+2K-H"	76.91904
"1097877"	513.02594	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2K-H"	76.91904
"151776"	475.070058	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"2M+2K"	77.926316
"593162"	693.123508	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"3M+2K"	77.926316
"1077312"	257.016608	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2K"	77.926316
"1114533"	515.040492	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2K+H"	78.933592
"1347268"	515.128107	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+DMSO+H"	79.021207
"1012150"	519.167276	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2ACN+H"	83.060376
"1530276"	520.160908	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+IsoProp+Na+H"	84.054008
"1003286"	260.087276	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+2ACN+2H"	84.067652
"1595600"	521.075528	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+K+HCOOH"	84.968628
"1417980"	551.107038	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+H+CF3COOH"	115.000138
"1149363"	280.600551	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+3ACN+2H"	125.094202
"1703293"	568.133585	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+NH4+CF3COOH"	132.026685
"1644413"	573.08898	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+Na+CF3COOH"	136.98208
"1574595"	589.06292	"C08124"	"Nafcillin sodium"	"C21H21N2O5SNa"	"436.1069"	"M+K+CF3COOH"	152.95602
"816148"	350.0936	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M"	0
"989076"	331.07521	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-H2O-H"	-19.01839
"72214"	232.388457333333	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M-3H"	-3.021828
"515056"	349.086324	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M-3H"	-3.021828
"888484"	115.690590666667	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-3H"	-3.021828
"9246"	349.086324	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M-2H"	-2.014552
"452087"	524.133124	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M-2H"	-2.014552
"821139"	174.039524	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-2H"	-2.014552
"80764"	699.179924	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M-H"	-1.007276
"522877"	1049.273524	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M-H"	-1.007276
"902866"	349.086324	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-H"	-1.007276
"51775"	716.206471	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M-2H+NH4"	16.019271
"490241"	1066.300071	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M-2H+NH4"	16.019271
"867677"	366.112871	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-2H+NH4"	16.019271
"34125"	721.161866	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M-2H+Na"	20.974666
"472953"	1071.255466	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M-2H+Na"	20.974666
"850026"	371.068266	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-2H+Na"	20.974666
"1619558"	371.068266	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Na-2H"	20.974666
"101559"	367.074663	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M-H+Cl"	33.962126
"537838"	542.121463	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M-H+Cl"	33.962126
"929165"	192.027863	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-H+Cl"	33.962126
"269544"	735.156602	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+Cl"	34.969402
"662694"	1085.250202	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+Cl"	34.969402
"1281301"	385.063002	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Cl"	34.969402
"23858"	737.135806	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M-2H+K"	36.948606
"464513"	1087.229406	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M-2H+K"	36.948606
"839035"	387.042206	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-2H+K"	36.948606
"1563616"	387.042206	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+K-2H"	36.948606
"956968"	395.091794	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-H+HCOOH"	44.998194
"375182"	745.185401	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+HCOOH-H"	44.998201
"356880"	759.201051	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+Hac-H"	59.013851
"1504253"	409.107451	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Hac-H"	59.013851
"968877"	417.073751	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-H+NaCOOH"	66.980151
"123619"	385.063002	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+2Cl"	69.938804
"561718"	560.109802	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+2Cl"	69.938804
"1032704"	210.016202	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2Cl"	69.938804
"1250096"	429.012485	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Br"	78.918885
"1311449"	431.068472	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Cl+HCOOH"	80.974872
"1325667"	453.050429	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Cl+NaCOOH"	102.956829
"915265"	463.079186	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M-H+CF3COOH"	112.985586
"1290883"	499.055864	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Cl+CF3COOH"	148.962264
"1372690"	315.080924	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H-2H2O"	-35.012676
"1385812"	333.0909	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H-H2O"	-17.0027
"290970"	701.194476	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+H"	1.007276
"682298"	1051.288076	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+H"	1.007276
"1359741"	351.100876	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H"	1.007276
"132628"	351.100876	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+2H"	2.014552
"576568"	526.147676	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+2H"	2.014552
"1051082"	176.054076	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2H"	2.014552
"216559"	234.403009333333	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+3H"	3.021828
"656121"	351.100876	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+3H"	3.021828
"1174243"	117.705142666667	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+3H"	3.021828
"434235"	718.221023	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+NH4"	18.033823
"793044"	1068.314623	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+NH4"	18.033823
"1683909"	368.127423	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+NH4"	18.033823
"338746"	359.6141495	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+H+NH4"	19.041099
"724970"	534.6609495	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+H+NH4"	19.041099
"1479886"	184.5673495	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H+NH4"	19.041099
"396015"	723.176418	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+Na"	22.989218
"758101"	1073.270018	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+Na"	22.989218
"1607296"	373.082818	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Na"	22.989218
"320614"	362.091847	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+H+Na"	23.996494
"711940"	537.138647	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+H+Na"	23.996494
"1464668"	187.045047	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H+Na"	23.996494
"1061194"	125.032456666667	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2H+Na"	25.00377
"1263968"	383.127086	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+CH3OH+H"	33.033486
"389471"	739.150358	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+K"	38.963158
"744632"	1089.243958	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+K"	38.963158
"1551788"	389.056758	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+K"	38.963158
"312246"	370.078817	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+H+K"	39.970434
"704668"	545.125617	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+H+K"	39.970434
"1459951"	195.032017	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H+K"	39.970434
"240168"	742.221026	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+ACN+H"	42.033826
"1213970"	392.127426	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+ACN+H"	42.033826
"1202956"	196.567351	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+ACN+2H"	43.041102
"194734"	745.15836	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+2Na-H"	44.97116
"632108"	1095.25196	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+2Na-H"	44.97116
"1134522"	395.06476	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2Na-H"	44.97116
"175619"	373.082818	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+2Na"	45.978436
"618462"	548.129618	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+2Na"	45.978436
"1119782"	198.036018	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2Na"	45.978436
"1408775"	132.359770666667	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H+2Na"	46.985712
"1440890"	397.106346	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H+HCOOH"	47.012746
"231315"	378.11584	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+3H2O+2H"	56.04448
"1518648"	411.15839	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+IsoProp+H"	61.06479
"419427"	381.069788	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+Na+K"	61.952376
"784812"	556.116588	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+Na+K"	61.952376
"1680048"	206.022988	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Na+K"	61.952376
"266201"	764.202968	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+ACN+Na"	64.015768
"1238179"	414.109368	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+ACN+Na"	64.015768
"1724514"	414.132893	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+NH4+HCOOH"	64.039293
"1190965"	139.687084666667	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+3Na"	68.967654
"1659764"	419.088288	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Na+HCOOH"	68.994688
"167353"	777.10624	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+2K-H"	76.91904
"602173"	1127.19984	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+2K-H"	76.91904
"1092883"	427.01264	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2K-H"	76.91904
"147515"	389.056758	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"2M+2K"	77.926316
"588535"	564.103558	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"3M+2K"	77.926316
"1073046"	214.009958	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2K"	77.926316
"1104066"	429.027192	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2K+H"	78.933592
"1340450"	429.114807	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+DMSO+H"	79.021207
"1014084"	433.153976	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2ACN+H"	83.060376
"1530386"	434.147608	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+IsoProp+Na+H"	84.054008
"993555"	217.080626	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+2ACN+2H"	84.067652
"1592434"	435.062228	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+K+HCOOH"	84.968628
"1420282"	465.093738	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+H+CF3COOH"	115.000138
"1150568"	237.593901	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+3ACN+2H"	125.094202
"1708871"	482.120285	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+NH4+CF3COOH"	132.026685
"1644523"	487.07568	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+Na+CF3COOH"	136.98208
"1574705"	503.04962	"C08126"	"Penicillin V"	"C16H18N2O5S"	"350.0936"	"M+K+CF3COOH"	152.95602
"814917"	416.329	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M"	0
"988453"	397.31061	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"67949"	276.545390666667	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"506416"	415.321724	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"885312"	137.769057333333	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"11542"	415.321724	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"444540"	623.486224	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"821251"	207.157224	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"83429"	831.650724	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"524081"	1247.979724	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"901883"	415.321724	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"52980"	848.677271	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"491080"	1265.006271	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"871436"	432.348271	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"35328"	853.632666	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"474522"	1269.961666	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"854511"	437.303666	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1620764"	437.303666	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"99482"	433.310063	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"539043"	641.474563	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"929277"	225.145563	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"268923"	867.627402	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"663539"	1283.956402	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1281411"	451.298402	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"21781"	869.606606	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"464623"	1285.935606	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"840239"	453.277606	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1567006"	453.277606	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"956475"	461.327194	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"374930"	877.656201	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"358085"	891.671851	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1505822"	475.342851	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"967893"	483.309151	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"122998"	451.298402	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"561828"	659.462902	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1032450"	243.133902	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1250206"	495.247885	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1310467"	497.303872	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1329057"	519.285829	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"915012"	529.314586	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1292814"	565.291264	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1370975"	381.316324	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1387015"	399.3263	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"289987"	833.665276	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"679127"	1249.994276	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1358758"	417.336276	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H"	1.007276
"133832"	417.336276	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"578867"	625.500776	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1049126"	209.171776	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"213385"	278.559942666667	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"654043"	417.336276	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1169981"	139.783609333333	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"432159"	850.691823	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"796434"	1267.020823	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1683285"	434.362823	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"332296"	425.8495495	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"724351"	634.0140495	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1477930"	217.6850495	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"396125"	855.647218	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"756146"	1271.976218	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1607406"	439.318218	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"321819"	428.327247	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"716424"	636.491747	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1468058"	220.162747	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1059120"	147.110923333333	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1269183"	449.362486	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"389945"	871.621158	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"750210"	1287.950158	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1553724"	455.292158	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+K"	38.963158
"312355"	436.314217	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"703686"	644.478717	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1460915"	228.149717	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"242099"	874.691826	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1219184"	458.362826	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1200879"	229.685051	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"194845"	877.62916	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"635499"	1293.95816	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1140099"	461.30016	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"179013"	439.318218	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"620759"	647.482718	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1122078"	231.153718	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1408885"	154.438237333333	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1443552"	463.341746	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"233616"	444.35124	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1520944"	477.39379	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"418443"	447.305188	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"783457"	655.469688	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1679427"	239.140688	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"263757"	896.673768	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1237562"	480.344768	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1723897"	480.368293	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1192168"	161.765551333333	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1659508"	485.323688	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"167099"	909.57704	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"607023"	1325.90604	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1091172"	493.24804	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"149810"	455.292158	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"587184"	663.456658	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1069057"	247.127658	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1104176"	495.262592	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1344573"	495.350207	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1014560"	499.389376	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1532686"	500.383008	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"996945"	250.198326	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1592543"	501.297628	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1422578"	531.329138	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1149585"	270.711601	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1706794"	548.355685	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1639164"	553.31108	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1572265"	569.28502	"C08127"	"Paricalcitol;19-Nor-1alpha25-dihydroxyvitamin D2"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"815031"	99.9473	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M"	0
"987470"	80.92891	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-H2O-H"	-19.01839
"66966"	65.6242573333333	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M-3H"	-3.021828
"505432"	98.940024	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M-3H"	-3.021828
"888702"	32.3084906666667	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-3H"	-3.021828
"8373"	98.940024	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M-2H"	-2.014552
"452305"	148.913674	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M-2H"	-2.014552
"825734"	48.966374	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-2H"	-2.014552
"93259"	198.887324	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M-H"	-1.007276
"526379"	298.834624	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M-H"	-1.007276
"906368"	98.940024	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-H"	-1.007276
"54183"	215.913871	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M-2H+NH4"	16.019271
"493742"	315.861171	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M-2H+NH4"	16.019271
"874826"	115.966571	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-2H+NH4"	16.019271
"36532"	220.869266	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M-2H+Na"	20.974666
"474632"	320.816566	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M-2H+Na"	20.974666
"861181"	120.921966	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-2H+Na"	20.974666
"1621969"	120.921966	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Na-2H"	20.974666
"98496"	116.928363	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M-H+Cl"	33.962126
"547536"	166.902013	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M-H+Cl"	33.962126
"935948"	66.954713	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-H+Cl"	33.962126
"270133"	234.864002	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+Cl"	34.969402
"662918"	334.811302	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+Cl"	34.969402
"1279333"	134.916702	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Cl"	34.969402
"20797"	236.843206	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M-2H+K"	36.948606
"460358"	336.790506	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M-2H+K"	36.948606
"843629"	136.895906	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-2H+K"	36.948606
"1567116"	136.895906	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+K-2H"	36.948606
"958082"	144.945494	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-H+HCOOH"	44.998194
"372120"	244.892801	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+HCOOH-H"	44.998201
"359285"	258.908451	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+Hac-H"	59.013851
"1503744"	158.961151	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Hac-H"	59.013851
"971287"	166.927451	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-H+NaCOOH"	66.980151
"120192"	134.916702	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+2Cl"	69.938804
"558659"	184.890352	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+2Cl"	69.938804
"1028552"	84.943052	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2Cl"	69.938804
"1251410"	178.866185	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Br"	78.918885
"1312765"	180.922172	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Cl+HCOOH"	80.974872
"1329169"	202.904129	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Cl+NaCOOH"	102.956829
"921320"	212.932886	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M-H+CF3COOH"	112.985586
"1293655"	248.909564	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Cl+CF3COOH"	148.962264
"1376192"	64.934624	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H-2H2O"	-35.012676
"1390410"	82.9446	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H-H2O"	-17.0027
"293376"	200.901876	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+H"	1.007276
"683612"	300.849176	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+H"	1.007276
"1356677"	100.954576	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H"	1.007276
"131754"	100.954576	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+2H"	2.014552
"578613"	150.928226	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+2H"	2.014552
"1048508"	50.980926	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2H"	2.014552
"215676"	67.6388093333333	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+3H"	3.021828
"655242"	100.954576	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+3H"	3.021828
"1174826"	34.3230426666667	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+3H"	3.021828
"434455"	217.928423	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+NH4"	18.033823
"795451"	317.875723	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+NH4"	18.033823
"1683760"	117.981123	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+NH4"	18.033823
"333497"	109.4678495	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+H+NH4"	19.041099
"725188"	159.4414995	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+H+NH4"	19.041099
"1480106"	59.4941995	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H+NH4"	19.041099
"396235"	222.883818	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+Na"	22.989218
"762700"	322.831118	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+Na"	22.989218
"1609704"	122.936518	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Na"	22.989218
"324114"	111.945547	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+H+Na"	23.996494
"714349"	161.919197	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+H+Na"	23.996494
"1471451"	61.971897	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H+Na"	23.996494
"1061416"	41.6503566666667	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2H+Na"	25.00377
"1270024"	132.980786	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+CH3OH+H"	33.033486
"390783"	238.857758	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+K"	38.963158
"751415"	338.805058	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+K"	38.963158
"1553468"	138.910458	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+K"	38.963158
"313440"	119.932517	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+H+K"	39.970434
"704160"	169.906167	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+H+K"	39.970434
"1461069"	69.958867	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H+K"	39.970434
"240021"	241.928426	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+ACN+H"	42.033826
"1221478"	141.981126	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+ACN+H"	42.033826
"1200989"	71.494201	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+ACN+2H"	43.041102
"198233"	244.86576	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+2Na-H"	44.97116
"634511"	344.81306	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+2Na-H"	44.97116
"1141299"	144.91846	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2Na-H"	44.97116
"178396"	122.936518	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+2Na"	45.978436
"621962"	172.910168	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+2Na"	45.978436
"1122189"	72.962868	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2Na"	45.978436
"1413368"	48.9776706666667	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H+2Na"	46.985712
"1444026"	146.960046	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H+HCOOH"	47.012746
"234985"	127.96954	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+3H2O+2H"	56.04448
"1521053"	161.01209	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+IsoProp+H"	61.06479
"422927"	130.923488	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+Na+K"	61.952376
"783567"	180.897138	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+Na+K"	61.952376
"1678077"	80.949838	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Na+K"	61.952376
"262407"	263.910368	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+ACN+Na"	64.015768
"1235484"	163.963068	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+ACN+Na"	64.015768
"1722913"	163.986593	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+NH4+HCOOH"	64.039293
"1188267"	56.3049846666667	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+3Na"	68.967654
"1658158"	168.941988	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Na+HCOOH"	68.994688
"166114"	276.81364	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+2K-H"	76.91904
"606768"	376.76094	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+2K-H"	76.91904
"1092376"	176.86634	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2K-H"	76.91904
"149190"	138.910458	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"2M+2K"	77.926316
"588752"	188.884108	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"3M+2K"	77.926316
"1071440"	88.936808	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2K"	77.926316
"1104286"	178.880892	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2K+H"	78.933592
"1346140"	178.968507	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+DMSO+H"	79.021207
"1015763"	183.007676	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2ACN+H"	83.060376
"1534982"	184.001308	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+IsoProp+Na+H"	84.054008
"997055"	92.007476	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+2ACN+2H"	84.067652
"1588642"	184.915928	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+K+HCOOH"	84.968628
"1414662"	214.947438	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+H+CF3COOH"	115.000138
"1154071"	112.520751	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+3ACN+2H"	125.094202
"1706905"	231.973985	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+NH4+CF3COOH"	132.026685
"1641462"	236.92938	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+Na+CF3COOH"	136.98208
"1571646"	252.90332	"C08129"	"Calcium carbonate;Precipitated calcium carbonate"	"CaCO3"	"99.9473"	"M+K+CF3COOH"	152.95602
"812955"	109.9003	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M"	0
"986487"	90.88191	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-H2O-H"	-19.01839
"63916"	72.2595906666667	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M-3H"	-3.021828
"506634"	108.893024	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M-3H"	-3.021828
"882249"	35.6261573333333	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-3H"	-3.021828
"8478"	108.893024	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M-2H"	-2.014552
"443664"	163.843174	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M-2H"	-2.014552
"820374"	53.942874	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-2H"	-2.014552
"81458"	218.793324	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M-H"	-1.007276
"521018"	328.693624	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M-H"	-1.007276
"899916"	108.893024	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-H"	-1.007276
"54293"	235.819871	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M-2H+NH4"	16.019271
"488750"	345.720171	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M-2H+NH4"	16.019271
"870561"	125.919571	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-2H+NH4"	16.019271
"36278"	240.775266	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M-2H+Na"	20.974666
"474378"	350.675566	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M-2H+Na"	20.974666
"858011"	130.874966	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-2H+Na"	20.974666
"1622079"	130.874966	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Na-2H"	20.974666
"99701"	126.881363	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M-H+Cl"	33.962126
"545823"	181.831513	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M-H+Cl"	33.962126
"936058"	71.931213	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-H+Cl"	33.962126
"272430"	254.770002	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+Cl"	34.969402
"663758"	364.670302	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+Cl"	34.969402
"1279443"	144.869702	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Cl"	34.969402
"20907"	256.749206	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M-2H+K"	36.948606
"460468"	366.649506	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M-2H+K"	36.948606
"843739"	146.848906	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-2H+K"	36.948606
"1566133"	146.848906	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+K-2H"	36.948606
"957300"	154.898494	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-H+HCOOH"	44.998194
"372230"	264.798801	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+HCOOH-H"	44.998201
"358302"	278.814451	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+Hac-H"	59.013851
"1502760"	168.914151	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Hac-H"	59.013851
"965927"	176.880451	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-H+NaCOOH"	66.980151
"120302"	144.869702	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+2Cl"	69.938804
"562049"	199.819852	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+2Cl"	69.938804
"1027568"	89.919552	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2Cl"	69.938804
"1244958"	188.819185	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Br"	78.918885
"1312875"	190.875172	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Cl+HCOOH"	80.974872
"1329279"	212.857129	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Cl+NaCOOH"	102.956829
"922523"	222.885886	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M-H+CF3COOH"	112.985586
"1293765"	258.862564	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Cl+CF3COOH"	148.962264
"1376302"	74.887624	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H-2H2O"	-35.012676
"1389427"	92.8976	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H-H2O"	-17.0027
"292393"	220.807876	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+H"	1.007276
"684815"	330.708176	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+H"	1.007276
"1357880"	110.907576	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H"	1.007276
"131864"	110.907576	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+2H"	2.014552
"573982"	165.857726	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+2H"	2.014552
"1046792"	55.957426	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2H"	2.014552
"210682"	74.2741426666667	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+3H"	3.021828
"655347"	110.907576	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+3H"	3.021828
"1173475"	37.6407093333333	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+3H"	3.021828
"436747"	237.834423	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+NH4"	18.033823
"796651"	347.734723	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+NH4"	18.033823
"1692257"	127.934123	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+NH4"	18.033823
"340170"	119.4208495	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+H+NH4"	19.041099
"730401"	174.3709995	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+H+NH4"	19.041099
"1480217"	64.4706995	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H+NH4"	19.041099
"396345"	242.789818	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+Na"	22.989218
"758801"	352.690118	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+Na"	22.989218
"1608721"	132.889518	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Na"	22.989218
"322040"	121.898547	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+H+Na"	23.996494
"713366"	176.848697	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+H+Na"	23.996494
"1466097"	66.948397	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H+Na"	23.996494
"1062258"	44.9680233333333	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2H+Na"	25.00377
"1264300"	142.933786	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+CH3OH+H"	33.033486
"383971"	258.763758	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+K"	38.963158
"748245"	368.664058	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+K"	38.963158
"1553580"	148.863458	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+K"	38.963158
"311849"	129.885517	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+H+K"	39.970434
"703177"	184.835667	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+H+K"	39.970434
"1460282"	74.935367	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H+K"	39.970434
"241224"	261.834426	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+ACN+H"	42.033826
"1217214"	151.934126	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+ACN+H"	42.033826
"1203286"	76.470701	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+ACN+2H"	43.041102
"200532"	264.77176	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+2Na-H"	44.97116
"635716"	374.67206	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+2Na-H"	44.97116
"1141409"	154.87146	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2Na-H"	44.97116
"179236"	132.889518	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+2Na"	45.978436
"618792"	187.839668	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+2Na"	45.978436
"1122299"	77.939368	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2Na"	45.978436
"1410198"	52.2953373333333	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H+2Na"	46.985712
"1441220"	156.913046	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H+HCOOH"	47.012746
"235457"	137.92254	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+3H2O+2H"	56.04448
"1523475"	170.96509	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+IsoProp+H"	61.06479
"422674"	140.876488	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+Na+K"	61.952376
"782945"	195.826638	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+Na+K"	61.952376
"1679279"	85.926338	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Na+K"	61.952376
"265069"	283.816368	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+ACN+Na"	64.015768
"1238874"	173.916068	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+ACN+Na"	64.015768
"1724116"	173.939593	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+NH4+HCOOH"	64.039293
"1189471"	59.6226513333333	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+3Na"	68.967654
"1657175"	178.894988	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Na+HCOOH"	68.994688
"165131"	296.71964	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+2K-H"	76.91904
"605785"	406.61994	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+2K-H"	76.91904
"1091393"	186.81934	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2K-H"	76.91904
"148208"	148.863458	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"2M+2K"	77.926316
"588861"	203.813608	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"3M+2K"	77.926316
"1070457"	93.913308	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2K"	77.926316
"1105490"	188.833892	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2K+H"	78.933592
"1347345"	188.921507	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+DMSO+H"	79.021207
"1016966"	192.960676	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2ACN+H"	83.060376
"1532905"	193.954308	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+IsoProp+Na+H"	84.054008
"1000445"	96.983976	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+2ACN+2H"	84.067652
"1594948"	194.868928	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+K+HCOOH"	84.968628
"1418420"	224.900438	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+H+CF3COOH"	115.000138
"1150902"	117.497251	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+3ACN+2H"	125.094202
"1707015"	241.926985	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+NH4+CF3COOH"	132.026685
"1641572"	246.88238	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+Na+CF3COOH"	136.98208
"1571751"	262.85632	"C08130"	"Calcium chloride anhydrous"	"CaCl2"	"109.9003"	"M+K+CF3COOH"	152.95602
"814158"	430.0635	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M"	0
"986597"	411.04511	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-H2O-H"	-19.01839
"63074"	285.701724	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M-3H"	-3.021828
"505649"	429.056224	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M-3H"	-3.021828
"883453"	142.347224	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-3H"	-3.021828
"3121"	429.056224	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M-2H"	-2.014552
"443775"	644.087974	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M-2H"	-2.014552
"820481"	214.024474	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-2H"	-2.014552
"84843"	859.119724	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M-H"	-1.007276
"522218"	1289.183224	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M-H"	-1.007276
"898563"	429.056224	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-H"	-1.007276
"54403"	876.146271	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M-2H+NH4"	16.019271
"497245"	1306.209771	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M-2H+NH4"	16.019271
"875047"	446.082771	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-2H+NH4"	16.019271
"36388"	881.101666	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M-2H+Na"	20.974666
"473029"	1311.165166	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M-2H+Na"	20.974666
"850099"	451.038166	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-2H+Na"	20.974666
"1620731"	451.038166	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Na-2H"	20.974666
"98720"	447.044563	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M-H+Cl"	33.962126
"541561"	662.076313	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M-H+Cl"	33.962126
"932888"	232.012813	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-H+Cl"	33.962126
"272539"	895.096402	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+Cl"	34.969402
"663868"	1325.159902	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+Cl"	34.969402
"1279553"	465.032902	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Cl"	34.969402
"21017"	897.075606	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M-2H+K"	36.948606
"460578"	1327.139106	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M-2H+K"	36.948606
"843849"	467.012106	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-2H+K"	36.948606
"1566243"	467.012106	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+K-2H"	36.948606
"956316"	475.061694	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-H+HCOOH"	44.998194
"372340"	905.125201	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+HCOOH-H"	44.998201
"358411"	919.140851	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+Hac-H"	59.013851
"1506150"	489.077351	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Hac-H"	59.013851
"966037"	497.043651	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-H+NaCOOH"	66.980151
"116037"	465.032902	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+2Cl"	69.938804
"558879"	680.064652	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+2Cl"	69.938804
"1027677"	250.001152	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2Cl"	69.938804
"1247255"	508.982385	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Br"	78.918885
"1309703"	511.038372	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Cl+HCOOH"	80.974872
"1329389"	533.020329	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Cl+NaCOOH"	102.956829
"920446"	543.049086	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M-H+CF3COOH"	112.985586
"1292782"	579.025764	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Cl+CF3COOH"	148.962264
"1375319"	395.050824	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H-2H2O"	-35.012676
"1390630"	413.0608	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H-H2O"	-17.0027
"293596"	861.134276	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+H"	1.007276
"686018"	1291.197776	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+H"	1.007276
"1357990"	431.070776	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H"	1.007276
"134161"	431.070776	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+2H"	2.014552
"571539"	646.102526	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+2H"	2.014552
"1047995"	216.039026	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2H"	2.014552
"211521"	287.716276	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+3H"	3.021828
"654363"	431.070776	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+3H"	3.021828
"1172492"	144.361776	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+3H"	3.021828
"435764"	878.160823	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+NH4"	18.033823
"797490"	1308.224323	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+NH4"	18.033823
"1693095"	448.097323	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+NH4"	18.033823
"343196"	439.5840495	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+H+NH4"	19.041099
"733791"	654.6157995	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+H+NH4"	19.041099
"1479963"	224.5522995	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H+NH4"	19.041099
"392861"	883.116218	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+Na"	22.989218
"761827"	1313.179718	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+Na"	22.989218
"1609924"	453.052718	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Na"	22.989218
"319963"	442.061747	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+H+Na"	23.996494
"713476"	657.093497	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+H+Na"	23.996494
"1467299"	227.029997	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H+Na"	23.996494
"1061274"	151.68909	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2H+Na"	25.00377
"1264410"	463.096986	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+CH3OH+H"	33.033486
"384082"	899.090158	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+K"	38.963158
"748353"	1329.153658	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+K"	38.963158
"1553690"	469.026658	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+K"	38.963158
"313051"	450.048717	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+H+K"	39.970434
"703288"	665.080467	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+H+K"	39.970434
"1460026"	235.016967	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H+K"	39.970434
"245708"	902.160826	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+ACN+H"	42.033826
"1218418"	472.097326	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+ACN+H"	42.033826
"1205582"	236.552301	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+ACN+2H"	43.041102
"201734"	905.09816	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+2Na-H"	44.97116
"636920"	1335.16166	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+2Na-H"	44.97116
"1139333"	475.03466	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2Na-H"	44.97116
"179345"	453.052718	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+2Na"	45.978436
"618902"	668.084468	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+2Na"	45.978436
"1124595"	238.020968	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2Na"	45.978436
"1410308"	159.016404	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H+2Na"	46.985712
"1444247"	477.076246	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H+HCOOH"	47.012746
"235163"	458.08574	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+3H2O+2H"	56.04448
"1522978"	491.12829	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+IsoProp+H"	61.06479
"422784"	461.039688	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+Na+K"	61.952376
"781597"	676.071438	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+Na+K"	61.952376
"1679997"	246.007938	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Na+K"	61.952376
"264451"	924.142768	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+ACN+Na"	64.015768
"1236068"	494.079268	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+ACN+Na"	64.015768
"1723132"	494.102793	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+NH4+HCOOH"	64.039293
"1186301"	166.343718	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+3Na"	68.967654
"1658381"	499.058188	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Na+HCOOH"	68.994688
"166335"	937.04604	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+2K-H"	76.91904
"604802"	1367.10954	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+2K-H"	76.91904
"1093688"	506.98254	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2K-H"	76.91904
"148317"	469.026658	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"2M+2K"	77.926316
"585694"	684.058408	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"3M+2K"	77.926316
"1074578"	253.994908	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2K"	77.926316
"1099943"	508.997092	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2K+H"	78.933592
"1346360"	509.084707	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+DMSO+H"	79.021207
"1015982"	513.123876	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2ACN+H"	83.060376
"1530828"	514.117508	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+IsoProp+Na+H"	84.054008
"1001648"	257.065576	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+2ACN+2H"	84.067652
"1591779"	515.032128	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+K+HCOOH"	84.968628
"1417437"	545.063638	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+H+CF3COOH"	115.000138
"1151012"	277.578851	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+3ACN+2H"	125.094202
"1707125"	562.090185	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+NH4+CF3COOH"	132.026685
"1641682"	567.04558	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+Na+CF3COOH"	136.98208
"1572227"	583.01952	"C08133"	"Calcium gluconate"	"(C6H11O7)2Ca"	"430.0635"	"M+K+CF3COOH"	152.95602
"815358"	309.7946	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M"	0
"988530"	290.77621	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-H2O-H"	-19.01839
"64010"	205.522457333333	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M-3H"	-3.021828
"503936"	308.787324	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M-3H"	-3.021828
"882470"	102.257590666667	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-3H"	-3.021828
"1044"	308.787324	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M-2H"	-2.014552
"442792"	463.684624	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M-2H"	-2.014552
"819860"	153.890024	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-2H"	-2.014552
"83131"	618.581924	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M-H"	-1.007276
"522329"	928.376524	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M-H"	-1.007276
"898308"	308.787324	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-H"	-1.007276
"54513"	635.608471	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M-2H+NH4"	16.019271
"497356"	945.403071	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M-2H+NH4"	16.019271
"875158"	325.813871	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-2H+NH4"	16.019271
"36498"	640.563866	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M-2H+Na"	20.974666
"473138"	950.358466	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M-2H+Na"	20.974666
"853129"	330.769266	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-2H+Na"	20.974666
"1620475"	330.769266	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Na-2H"	20.974666
"95910"	326.775663	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M-H+Cl"	33.962126
"539482"	481.672963	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M-H+Cl"	33.962126
"934090"	171.878363	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-H+Cl"	33.962126
"272647"	654.558602	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+Cl"	34.969402
"663247"	964.353202	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+Cl"	34.969402
"1277477"	344.764002	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Cl"	34.969402
"17848"	656.537806	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M-2H+K"	36.948606
"459595"	966.332406	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M-2H+K"	36.948606
"843959"	346.743206	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-2H+K"	36.948606
"1566353"	346.743206	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+K-2H"	36.948606
"956427"	354.792794	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-H+HCOOH"	44.998194
"373543"	664.587401	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+HCOOH-H"	44.998201
"357428"	678.603051	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+Hac-H"	59.013851
"1506260"	368.808451	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Hac-H"	59.013851
"963595"	376.774751	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-H+NaCOOH"	66.980151
"113961"	344.764002	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+2Cl"	69.938804
"555708"	499.661302	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+2Cl"	69.938804
"1029974"	189.866702	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2Cl"	69.938804
"1250646"	388.713485	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Br"	78.918885
"1308720"	390.769472	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Cl+HCOOH"	80.974872
"1328405"	412.751429	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Cl+NaCOOH"	102.956829
"918369"	422.780186	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M-H+CF3COOH"	112.985586
"1292892"	458.756864	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Cl+CF3COOH"	148.962264
"1375429"	274.781924	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H-2H2O"	-35.012676
"1390740"	292.7919	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H-H2O"	-17.0027
"292613"	620.596476	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+H"	1.007276
"685035"	930.391076	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+H"	1.007276
"1359194"	310.801876	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H"	1.007276
"134271"	310.801876	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+2H"	2.014552
"570920"	465.699176	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+2H"	2.014552
"1049199"	155.904576	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2H"	2.014552
"212359"	207.537009333333	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+3H"	3.021828
"654473"	310.801876	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+3H"	3.021828
"1173695"	104.272142666667	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+3H"	3.021828
"433685"	637.623023	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+NH4"	18.033823
"797965"	947.417623	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+NH4"	18.033823
"1693570"	327.828423	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+NH4"	18.033823
"342942"	319.3151495	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+H+NH4"	19.041099
"732809"	474.2124495	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+H+NH4"	19.041099
"1477885"	164.4178495	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H+NH4"	19.041099
"393117"	642.578418	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+Na"	22.989218
"758658"	952.373018	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+Na"	22.989218
"1605662"	332.783818	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Na"	22.989218
"320074"	321.792847	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+H+Na"	23.996494
"710307"	476.690147	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+H+Na"	23.996494
"1466317"	166.895547	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H+Na"	23.996494
"1059561"	111.599456666667	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2H+Na"	25.00377
"1264520"	342.828086	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+CH3OH+H"	33.033486
"386377"	658.552358	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+K"	38.963158
"745183"	968.346958	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+K"	38.963158
"1552708"	348.757758	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+K"	38.963158
"309882"	329.779817	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+H+K"	39.970434
"703034"	484.677117	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+H+K"	39.970434
"1456125"	174.882517	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H+K"	39.970434
"243631"	661.623026	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+ACN+H"	42.033826
"1217434"	351.828426	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+ACN+H"	42.033826
"1203506"	176.417851	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+ACN+2H"	43.041102
"200750"	664.56036	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+2Na-H"	44.97116
"635938"	974.35496	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+2Na-H"	44.97116
"1136164"	354.76576	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2Na-H"	44.97116
"179455"	332.783818	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+2Na"	45.978436
"623386"	487.681118	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+2Na"	45.978436
"1124705"	177.886518	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2Na"	45.978436
"1407138"	118.926770666667	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H+2Na"	46.985712
"1443872"	356.807346	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H+HCOOH"	47.012746
"234542"	337.81684	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+3H2O+2H"	56.04448
"1521383"	370.85939	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+IsoProp+H"	61.06479
"423261"	340.770788	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+Na+K"	61.952376
"784265"	495.668088	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+Na+K"	61.952376
"1679743"	185.873488	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Na+K"	61.952376
"264196"	683.604968	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+ACN+Na"	64.015768
"1236908"	373.810368	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+ACN+Na"	64.015768
"1721056"	373.833893	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+NH4+HCOOH"	64.039293
"1187506"	126.254084666667	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+3Na"	68.967654
"1658491"	378.789288	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Na+HCOOH"	68.994688
"165353"	696.50824	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+2K-H"	76.91904
"603819"	1006.30284	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+2K-H"	76.91904
"1092705"	386.71364	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2K-H"	76.91904
"146242"	348.757758	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"2M+2K"	77.926316
"587992"	503.655058	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"3M+2K"	77.926316
"1079065"	193.860458	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2K"	77.926316
"1100364"	388.728192	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2K+H"	78.933592
"1349631"	388.815807	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+DMSO+H"	79.021207
"1019372"	392.854976	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2ACN+H"	83.060376
"1532030"	393.848608	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+IsoProp+Na+H"	84.054008
"1000664"	196.931126	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+2ACN+2H"	84.067652
"1589702"	394.763228	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+K+HCOOH"	84.968628
"1416454"	424.794738	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+H+CF3COOH"	115.000138
"1151122"	217.444401	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+3ACN+2H"	125.094202
"1699580"	441.821285	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+NH4+CF3COOH"	132.026685
"1648719"	446.77668	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+Na+CF3COOH"	136.98208
"1571850"	462.75062	"C08136"	"Tricalcium phosphate;Calcium phosphate tribasic;Synthos"	"Ca3(PO4)2"	"309.7946"	"M+K+CF3COOH"	152.95602
"813281"	317.9284	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M"	0
"988275"	298.91001	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-H2O-H"	-19.01839
"66312"	210.944990666667	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M-3H"	-3.021828
"503114"	316.921124	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M-3H"	-3.021828
"882579"	104.968857333333	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-3H"	-3.021828
"4434"	316.921124	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M-2H"	-2.014552
"441808"	475.885324	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M-2H"	-2.014552
"819362"	157.956924	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-2H"	-2.014552
"85062"	634.849524	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M-H"	-1.007276
"523531"	952.777924	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M-H"	-1.007276
"897810"	316.921124	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-H"	-1.007276
"54623"	651.876071	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M-2H+NH4"	16.019271
"499652"	969.804471	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M-2H+NH4"	16.019271
"874175"	333.947671	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-2H+NH4"	16.019271
"41712"	656.831466	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M-2H+Na"	20.974666
"473614"	974.759866	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M-2H+Na"	20.974666
"855063"	338.903066	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-2H+Na"	20.974666
"1620585"	338.903066	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Na-2H"	20.974666
"96385"	334.909463	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M-H+Cl"	33.962126
"539592"	493.873663	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M-H+Cl"	33.962126
"936386"	175.945263	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-H+Cl"	33.962126
"279318"	670.826202	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+Cl"	34.969402
"666273"	988.754602	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+Cl"	34.969402
"1280867"	352.897802	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Cl"	34.969402
"20143"	672.805406	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M-2H+K"	36.948606
"459705"	990.733806	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M-2H+K"	36.948606
"842976"	354.877006	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-2H+K"	36.948606
"1565370"	354.877006	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+K-2H"	36.948606
"956538"	362.926594	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-H+HCOOH"	44.998194
"372561"	680.855001	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+HCOOH-H"	44.998201
"358267"	694.870651	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+Hac-H"	59.013851
"1507100"	376.942251	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Hac-H"	59.013851
"970631"	384.908551	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-H+NaCOOH"	66.980151
"120631"	352.897802	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+2Cl"	69.938804
"559096"	511.862002	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+2Cl"	69.938804
"1032271"	193.933602	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2Cl"	69.938804
"1251849"	396.847285	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Br"	78.918885
"1311018"	398.903272	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Cl+HCOOH"	80.974872
"1331431"	420.885229	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Cl+NaCOOH"	102.956829
"919572"	430.913986	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M-H+CF3COOH"	112.985586
"1294095"	466.890664	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Cl+CF3COOH"	148.962264
"1374446"	282.915724	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H-2H2O"	-35.012676
"1394129"	300.9257	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H-H2O"	-17.0027
"293816"	636.864076	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+H"	1.007276
"684052"	954.792476	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+H"	1.007276
"1359304"	318.935676	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H"	1.007276
"132195"	318.935676	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+2H"	2.014552
"571030"	477.899876	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+2H"	2.014552
"1048215"	159.971476	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2H"	2.014552
"211376"	212.959542666667	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+3H"	3.021828
"654584"	318.935676	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+3H"	3.021828
"1175992"	106.983409333333	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+3H"	3.021828
"435983"	653.890623	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+NH4"	18.033823
"800261"	971.819023	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+NH4"	18.033823
"1694408"	335.962223	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+NH4"	18.033823
"343416"	327.4489495	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+H+NH4"	19.041099
"734012"	486.4131495	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+H+NH4"	19.041099
"1480183"	168.4847495	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H+NH4"	19.041099
"394853"	658.846018	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+Na"	22.989218
"762048"	976.774418	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+Na"	22.989218
"1607958"	340.917618	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Na"	22.989218
"321276"	329.926647	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+H+Na"	23.996494
"713696"	488.890847	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+H+Na"	23.996494
"1468613"	170.962447	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H+Na"	23.996494
"1057118"	114.310723333333	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2H+Na"	25.00377
"1264630"	350.961886	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+CH3OH+H"	33.033486
"386487"	674.819958	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+K"	38.963158
"745293"	992.748358	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+K"	38.963158
"1553546"	356.891558	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+K"	38.963158
"309990"	337.913617	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+H+K"	39.970434
"703508"	496.877817	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+H+K"	39.970434
"1456233"	178.949417	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H+K"	39.970434
"240461"	677.890626	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+ACN+H"	42.033826
"1216451"	359.962226	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+ACN+H"	42.033826
"1202522"	180.484751	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+ACN+2H"	43.041102
"199767"	680.82796	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+2Na-H"	44.97116
"641513"	998.75636	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+2Na-H"	44.97116
"1138461"	362.89956	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2Na-H"	44.97116
"182845"	340.917618	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+2Na"	45.978436
"623496"	499.881818	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+2Na"	45.978436
"1127002"	181.953418	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2Na"	45.978436
"1405060"	121.638037333333	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H+2Na"	46.985712
"1441186"	364.941146	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H+HCOOH"	47.012746
"235138"	345.95064	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+3H2O+2H"	56.04448
"1521981"	378.99319	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+IsoProp+H"	61.06479
"422154"	348.904588	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+Na+K"	61.952376
"784252"	507.868788	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+Na+K"	61.952376
"1679976"	189.940388	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Na+K"	61.952376
"264671"	699.872568	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+ACN+Na"	64.015768
"1238478"	381.944168	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+ACN+Na"	64.015768
"1720075"	381.967693	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+NH4+HCOOH"	64.039293
"1187618"	128.965351333333	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+3Na"	68.967654
"1661881"	386.923088	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Na+HCOOH"	68.994688
"167649"	712.77584	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+2K-H"	76.91904
"603927"	1030.70424	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+2K-H"	76.91904
"1092815"	394.84744	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2K-H"	76.91904
"147446"	356.891558	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"2M+2K"	77.926316
"587007"	515.855758	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"3M+2K"	77.926316
"1082456"	197.927358	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2K"	77.926316
"1104728"	396.861992	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2K+H"	78.933592
"1347676"	396.949607	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+DMSO+H"	79.021207
"1019363"	400.988776	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2ACN+H"	83.060376
"1533236"	401.982408	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+IsoProp+Na+H"	84.054008
"999681"	200.998026	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+2ACN+2H"	84.067652
"1587499"	402.897028	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+K+HCOOH"	84.968628
"1416563"	432.928538	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+H+CF3COOH"	115.000138
"1147221"	221.511301	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+3ACN+2H"	125.094202
"1707345"	449.955085	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+NH4+CF3COOH"	132.026685
"1647371"	454.91048	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+Na+CF3COOH"	136.98208
"1576462"	470.88442	"C08141"	"Tiludronic acid;Tiludronate"	"C7H9ClO6P2S"	"317.9284"	"M+K+CF3COOH"	152.95602
"813391"	41.9882	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M"	0
"988020"	22.96981	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-H2O-H"	-19.01839
"64235"	26.9848573333333	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M-3H"	-3.021828
"504157"	40.980924	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M-3H"	-3.021828
"881230"	12.9887906666667	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-3H"	-3.021828
"2357"	40.980924	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M-2H"	-2.014552
"441553"	61.975024	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M-2H"	-2.014552
"820079"	19.986824	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-2H"	-2.014552
"82988"	82.969124	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M-H"	-1.007276
"523641"	124.957324	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M-H"	-1.007276
"897556"	40.980924	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-H"	-1.007276
"48893"	99.995671	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M-2H+NH4"	16.019271
"492469"	141.983871	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M-2H+NH4"	16.019271
"876107"	58.007471	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-2H+NH4"	16.019271
"38907"	104.951066	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M-2H+Na"	20.974666
"476276"	146.939266	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M-2H+Na"	20.974666
"851526"	62.962866	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-2H+Na"	20.974666
"1622521"	62.962866	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Na-2H"	20.974666
"100143"	58.969263	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M-H+Cl"	33.962126
"540796"	79.963363	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M-H+Cl"	33.962126
"931030"	37.975163	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-H+Cl"	33.962126
"277241"	118.945802	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+Cl"	34.969402
"667478"	160.934002	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+Cl"	34.969402
"1283162"	76.957602	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Cl"	34.969402
"25722"	120.925006	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M-2H+K"	36.948606
"460908"	162.913206	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M-2H+K"	36.948606
"837617"	78.936806	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-2H+K"	36.948606
"1567664"	78.936806	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+K-2H"	36.948606
"957737"	86.986394	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-H+HCOOH"	44.998194
"372671"	128.974601	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+HCOOH-H"	44.998201
"359836"	142.990251	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+Hac-H"	59.013851
"1505387"	101.002051	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Hac-H"	59.013851
"972928"	108.968351	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-H+NaCOOH"	66.980151
"120742"	76.957602	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+2Cl"	69.938804
"559206"	97.951702	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+2Cl"	69.938804
"1032381"	55.963502	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2Cl"	69.938804
"1254146"	120.907085	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Br"	78.918885
"1311128"	122.963072	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Cl+HCOOH"	80.974872
"1329718"	144.945029	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Cl+NaCOOH"	102.956829
"919682"	154.973786	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M-H+CF3COOH"	112.985586
"1292018"	190.950464	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Cl+CF3COOH"	148.962264
"1369087"	6.975524	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H-2H2O"	-35.012676
"1393147"	24.9855	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H-H2O"	-17.0027
"289551"	84.983676	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+H"	1.007276
"687443"	126.971876	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+H"	1.007276
"1358322"	42.995476	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H"	1.007276
"132305"	42.995476	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+2H"	2.014552
"571141"	63.989576	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+2H"	2.014552
"1043952"	22.001376	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2H"	2.014552
"210393"	28.9994093333333	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+3H"	3.021828
"650323"	42.995476	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+3H"	3.021828
"1173916"	15.0033426666667	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+3H"	3.021828
"433907"	102.010223	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+NH4"	18.033823
"800615"	143.998423	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+NH4"	18.033823
"1693427"	60.022023	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+NH4"	18.033823
"343527"	51.5087495	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+H+NH4"	19.041099
"736310"	72.5028495	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+H+NH4"	19.041099
"1479926"	30.5146495	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H+NH4"	19.041099
"397879"	106.965618	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+Na"	22.989218
"757785"	148.953818	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+Na"	22.989218
"1609161"	64.977418	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Na"	22.989218
"320292"	53.986447	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+H+Na"	23.996494
"710526"	74.980547	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+H+Na"	23.996494
"1466536"	32.992347	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H+Na"	23.996494
"1057957"	22.3306566666667	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2H+Na"	25.00377
"1261460"	75.021686	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+CH3OH+H"	33.033486
"384409"	122.939558	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+K"	38.963158
"744310"	164.927758	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+K"	38.963158
"1547459"	80.951358	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+K"	38.963158
"309007"	61.973417	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+H+K"	39.970434
"697055"	82.967517	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+H+K"	39.970434
"1451969"	40.979317	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H+K"	39.970434
"241664"	126.010226	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+ACN+H"	42.033826
"1219841"	84.022026	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+ACN+H"	42.033826
"1204818"	42.514651	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+ACN+2H"	43.041102
"198782"	128.94756	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+2Na-H"	44.97116
"636158"	170.93576	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+2Na-H"	44.97116
"1146348"	86.95936	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2Na-H"	44.97116
"182955"	64.977418	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+2Na"	45.978436
"621419"	85.971518	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+2Na"	45.978436
"1126018"	43.983318	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2Na"	45.978436
"1404077"	29.6579706666667	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H+2Na"	46.985712
"1441660"	89.000946	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H+HCOOH"	47.012746
"234884"	70.01044	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+3H2O+2H"	56.04448
"1522697"	103.05299	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+IsoProp+H"	61.06479
"423485"	72.964388	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+Na+K"	61.952376
"785215"	93.958488	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+Na+K"	61.952376
"1680208"	51.970288	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Na+K"	61.952376
"264780"	147.992168	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+ACN+Na"	64.015768
"1235674"	106.003968	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+ACN+Na"	64.015768
"1725648"	106.027493	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+NH4+HCOOH"	64.039293
"1187724"	36.9852846666667	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+3Na"	68.967654
"1658710"	110.982888	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Na+HCOOH"	68.994688
"170553"	160.89544	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+2K-H"	76.91904
"604038"	202.88364	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+2K-H"	76.91904
"1092925"	118.90724	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2K-H"	76.91904
"147556"	80.951358	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"2M+2K"	77.926316
"588211"	101.945458	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"3M+2K"	77.926316
"1079285"	59.957258	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2K"	77.926316
"1101557"	120.921792	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2K+H"	78.933592
"1349487"	121.009407	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+DMSO+H"	79.021207
"1016315"	125.048576	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2ACN+H"	83.060376
"1532250"	126.042208	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+IsoProp+Na+H"	84.054008
"999793"	63.027926	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+2ACN+2H"	84.067652
"1587734"	126.956828	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+K+HCOOH"	84.968628
"1415946"	156.988338	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+H+CF3COOH"	115.000138
"1152437"	83.541201	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+3ACN+2H"	125.094202
"1707455"	174.014885	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+NH4+CF3COOH"	132.026685
"1648574"	178.97028	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+Na+CF3COOH"	136.98208
"1576572"	194.94422	"C08142"	"Sodium fluoride"	"NaF"	"41.9882"	"M+K+CF3COOH"	152.95602
"810221"	428.079	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M"	0
"980478"	409.06061	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-H2O-H"	-19.01839
"64707"	284.378724	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M-3H"	-3.021828
"504997"	427.071724	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M-3H"	-3.021828
"881343"	141.685724	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-3H"	-3.021828
"1739"	427.071724	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M-2H"	-2.014552
"444218"	641.111224	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M-2H"	-2.014552
"825290"	213.032224	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-2H"	-2.014552
"87469"	855.150724	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M-H"	-1.007276
"521930"	1283.229724	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M-H"	-1.007276
"900460"	427.071724	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-H"	-1.007276
"59217"	872.177271	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M-2H+NH4"	16.019271
"500606"	1300.256271	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M-2H+NH4"	16.019271
"873303"	444.098271	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-2H+NH4"	16.019271
"41202"	877.132666	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M-2H+Na"	20.974666
"485136"	1305.211666	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M-2H+Na"	20.974666
"860751"	449.053666	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-2H+Na"	20.974666
"1630284"	449.053666	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Na-2H"	20.974666
"105719"	445.060063	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M-H+Cl"	33.962126
"543092"	659.099563	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M-H+Cl"	33.962126
"935513"	231.020563	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-H+Cl"	33.962126
"279538"	891.127402	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+Cl"	34.969402
"670867"	1319.206402	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+Cl"	34.969402
"1276347"	463.048402	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Cl"	34.969402
"18905"	893.106606	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M-2H+K"	36.948606
"462111"	1321.185606	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M-2H+K"	36.948606
"843193"	465.027606	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-2H+K"	36.948606
"1566682"	465.027606	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+K-2H"	36.948606
"954562"	473.077194	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-H+HCOOH"	44.998194
"373874"	901.156201	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+HCOOH-H"	44.998201
"355569"	915.171851	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+Hac-H"	59.013851
"1503309"	487.092851	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Hac-H"	59.013851
"970484"	495.059151	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-H+NaCOOH"	66.980151
"123038"	463.048402	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+2Cl"	69.938804
"561504"	677.087902	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+2Cl"	69.938804
"1033583"	249.008902	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2Cl"	69.938804
"1255349"	506.997885	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Br"	78.918885
"1316703"	509.053872	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Cl+HCOOH"	80.974872
"1332015"	531.035829	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Cl+NaCOOH"	102.956829
"916514"	541.064586	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M-H+CF3COOH"	112.985586
"1298689"	577.041264	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Cl+CF3COOH"	148.962264
"1371383"	393.066324	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H-2H2O"	-35.012676
"1386695"	411.0763	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H-H2O"	-17.0027
"289661"	857.165276	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+H"	1.007276
"683177"	1285.244276	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+H"	1.007276
"1360620"	429.086276	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H"	1.007276
"129503"	429.086276	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+2H"	2.014552
"571980"	643.125776	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+2H"	2.014552
"1046248"	215.046776	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2H"	2.014552
"213057"	286.393276	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+3H"	3.021828
"652619"	429.086276	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+3H"	3.021828
"1172931"	143.700276	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+3H"	3.021828
"435109"	874.191823	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+NH4"	18.033823
"801282"	1302.270823	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+NH4"	18.033823
"1696088"	446.112823	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+NH4"	18.033823
"343999"	437.5995495	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+H+NH4"	19.041099
"735331"	651.6390495	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+H+NH4"	19.041099
"1485870"	223.5600495	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H+NH4"	19.041099
"395070"	879.147218	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+Na"	22.989218
"758987"	1307.226218	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+Na"	22.989218
"1611458"	451.068218	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Na"	22.989218
"322589"	440.077247	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+H+Na"	23.996494
"716103"	654.116747	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+H+Na"	23.996494
"1466647"	226.037747	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H+Na"	23.996494
"1059889"	151.02759	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2H+Na"	25.00377
"1260478"	461.112486	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+CH3OH+H"	33.033486
"384519"	895.121158	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+K"	38.963158
"740045"	1323.200158	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+K"	38.963158
"1549754"	467.042158	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+K"	38.963158
"310211"	448.064217	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+H+K"	39.970434
"699353"	662.103717	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+H+K"	39.970434
"1454267"	234.024717	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H+K"	39.970434
"242868"	898.191826	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+ACN+H"	42.033826
"1214118"	470.112826	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+ACN+H"	42.033826
"1202741"	235.560051	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+ACN+2H"	43.041102
"196705"	901.12916	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+2Na-H"	44.97116
"636266"	1329.20816	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+2Na-H"	44.97116
"1140867"	473.05016	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2Na-H"	44.97116
"186344"	451.068218	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+2Na"	45.978436
"619342"	665.107718	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+2Na"	45.978436
"1122482"	237.028718	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2Na"	45.978436
"1404186"	158.354904	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H+2Na"	46.985712
"1441770"	475.091746	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H+HCOOH"	47.012746
"233653"	456.10124	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+3H2O+2H"	56.04448
"1522688"	489.14379	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+IsoProp+H"	61.06479
"424247"	459.055188	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+Na+K"	61.952376
"783133"	673.094688	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+Na+K"	61.952376
"1677644"	245.015688	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Na+K"	61.952376
"264890"	920.173768	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+ACN+Na"	64.015768
"1239790"	492.094768	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+ACN+Na"	64.015768
"1725761"	492.118293	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+NH4+HCOOH"	64.039293
"1193913"	165.682218	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+3Na"	68.967654
"1664167"	497.073688	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Na+HCOOH"	68.994688
"167871"	933.07704	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+2K-H"	76.91904
"607432"	1361.15604	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+2K-H"	76.91904
"1095223"	504.99804	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2K-H"	76.91904
"149855"	467.042158	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"2M+2K"	77.926316
"589414"	681.081658	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"3M+2K"	77.926316
"1079393"	253.002658	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2K"	77.926316
"1114549"	507.012592	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2K+H"	78.933592
"1348868"	507.100207	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+DMSO+H"	79.021207
"1018612"	511.139376	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2ACN+H"	83.060376
"1530173"	512.133008	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+IsoProp+Na+H"	84.054008
"999902"	256.073326	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+2ACN+2H"	84.067652
"1593313"	513.047628	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+K+HCOOH"	84.968628
"1418975"	543.079138	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+H+CF3COOH"	115.000138
"1151447"	276.586601	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+3ACN+2H"	125.094202
"1709752"	560.105685	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+NH4+CF3COOH"	132.026685
"1648321"	565.06108	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+Na+CF3COOH"	136.98208
"1576682"	581.03502	"C08145"	"Diethylstilbestrol diphosphate;Fosfestrol;Diethylstilbestrol bisphosphate"	"C18H22O8P2"	"428.079"	"M+K+CF3COOH"	152.95602
"812522"	337.1438	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M"	0
"983868"	318.12541	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-H2O-H"	-19.01839
"63112"	223.755257333333	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M-3H"	-3.021828
"503527"	336.136524	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M-3H"	-3.021828
"885098"	111.373990666667	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-3H"	-3.021828
"307"	336.136524	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M-2H"	-2.014552
"442137"	504.708424	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M-2H"	-2.014552
"817425"	167.564624	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-2H"	-2.014552
"80295"	673.280324	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M-H"	-1.007276
"519492"	1010.424124	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M-H"	-1.007276
"903859"	336.136524	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-H"	-1.007276
"59330"	690.306871	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M-2H+NH4"	16.019271
"499986"	1027.450671	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M-2H+NH4"	16.019271
"871227"	353.163071	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-2H+NH4"	16.019271
"35846"	695.262266	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M-2H+Na"	20.974666
"475405"	1032.406066	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M-2H+Na"	20.974666
"852115"	358.118466	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-2H+Na"	20.974666
"1622740"	358.118466	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Na-2H"	20.974666
"105828"	354.124863	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M-H+Cl"	33.962126
"537737"	522.696763	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M-H+Cl"	33.962126
"930157"	185.552963	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-H+Cl"	33.962126
"267988"	709.257002	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+Cl"	34.969402
"663692"	1046.400802	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+Cl"	34.969402
"1274999"	372.113202	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Cl"	34.969402
"17194"	711.236206	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M-2H+K"	36.948606
"457848"	1048.380006	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M-2H+K"	36.948606
"836742"	374.092406	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-2H+K"	36.948606
"1558409"	374.092406	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+K-2H"	36.948606
"944833"	382.141994	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-H+HCOOH"	44.998194
"365602"	719.285801	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+HCOOH-H"	44.998201
"355680"	733.301451	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+Hac-H"	59.013851
"1502327"	396.157651	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Hac-H"	59.013851
"970600"	404.123951	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-H+NaCOOH"	66.980151
"124244"	372.113202	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+2Cl"	69.938804
"553232"	540.685102	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+2Cl"	69.938804
"1026405"	203.541302	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2Cl"	69.938804
"1244526"	416.062685	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Br"	78.918885
"1306245"	418.118672	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Cl+HCOOH"	80.974872
"1321192"	440.100629	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Cl+NaCOOH"	102.956829
"913345"	450.129386	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M-H+CF3COOH"	112.985586
"1288836"	486.106064	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Cl+CF3COOH"	148.962264
"1371497"	302.131124	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H-2H2O"	-35.012676
"1393368"	320.1411	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H-H2O"	-17.0027
"291962"	675.294876	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+H"	1.007276
"686573"	1012.438676	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+H"	1.007276
"1361826"	338.151076	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H"	1.007276
"130339"	338.151076	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+2H"	2.014552
"569173"	506.722976	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+2H"	2.014552
"1046357"	169.579176	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2H"	2.014552
"209153"	225.769809333333	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+3H"	3.021828
"650537"	338.151076	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+3H"	3.021828
"1170854"	113.388542666667	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+3H"	3.021828
"429753"	692.321423	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+NH4"	18.033823
"799497"	1029.465223	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+NH4"	18.033823
"1693641"	355.177623	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+NH4"	18.033823
"343015"	346.6643495	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+H+NH4"	19.041099
"734709"	515.2362495	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+H+NH4"	19.041099
"1482700"	178.0924495	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H+NH4"	19.041099
"393151"	697.276818	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+Na"	22.989218
"755814"	1034.420618	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+Na"	22.989218
"1605005"	360.133018	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Na"	22.989218
"317228"	349.142047	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+H+Na"	23.996494
"710742"	517.713947	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+H+Na"	23.996494
"1463472"	180.570147	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H+Na"	23.996494
"1052985"	120.715856666667	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2H+Na"	25.00377
"1259126"	370.177286	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+CH3OH+H"	33.033486
"381348"	713.250758	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+K"	38.963158
"740520"	1050.394558	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+K"	38.963158
"1548770"	376.106958	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+K"	38.963158
"308134"	357.129017	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+H+K"	39.970434
"697642"	525.700917	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+H+K"	39.970434
"1454377"	188.557117	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H+K"	39.970434
"239332"	716.321426	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+ACN+H"	42.033826
"1215689"	379.177626	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+ACN+H"	42.033826
"1200665"	190.092451	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+ACN+2H"	43.041102
"192441"	719.25876	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+2Na-H"	44.97116
"635283"	1056.40256	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+2Na-H"	44.97116
"1135511"	382.11496	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2Na-H"	44.97116
"179895"	360.133018	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+2Na"	45.978436
"620548"	528.704918	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+2Na"	45.978436
"1120774"	191.561118	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2Na"	45.978436
"1412318"	128.043170666667	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H+2Na"	46.985712
"1444797"	384.156546	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H+HCOOH"	47.012746
"234860"	365.16604	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+3H2O+2H"	56.04448
"1519639"	398.20859	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+IsoProp+H"	61.06479
"423699"	368.119988	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+Na+K"	61.952376
"783972"	536.691888	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+Na+K"	61.952376
"1678843"	199.548088	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Na+K"	61.952376
"264271"	738.303368	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+ACN+Na"	64.015768
"1236987"	401.159568	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+ACN+Na"	64.015768
"1725874"	401.183093	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+NH4+HCOOH"	64.039293
"1191229"	135.370484666667	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+3Na"	68.967654
"1663305"	406.138488	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Na+HCOOH"	68.994688
"169075"	751.20664	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+2K-H"	76.91904
"606445"	1088.35044	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+2K-H"	76.91904
"1092052"	414.06284	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2K-H"	76.91904
"152150"	376.106958	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"2M+2K"	77.926316
"594992"	544.678858	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"3M+2K"	77.926316
"1081689"	207.535058	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2K"	77.926316
"1105057"	416.077392	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2K+H"	78.933592
"1340349"	416.165007	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+DMSO+H"	79.021207
"1007661"	420.204176	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2ACN+H"	83.060376
"1527731"	421.197808	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+IsoProp+Na+H"	84.054008
"991627"	210.605726	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+2ACN+2H"	84.067652
"1589412"	422.112428	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+K+HCOOH"	84.968628
"1417261"	452.143938	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+H+CF3COOH"	115.000138
"1149376"	231.119001	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+3ACN+2H"	125.094202
"1710956"	469.170485	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+NH4+CF3COOH"	132.026685
"1642233"	474.12588	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+Na+CF3COOH"	136.98208
"1576792"	490.09982	"C08146"	"Linezolid"	"C16H20FN3O4"	"337.1438"	"M+K+CF3COOH"	152.95602
"807160"	428.2927	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M"	0
"988350"	409.27431	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-H2O-H"	-19.01839
"62949"	284.521190666667	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M-3H"	-3.021828
"507406"	427.285424	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M-3H"	-3.021828
"885208"	141.756957333333	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-3H"	-3.021828
"34"	427.285424	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M-2H"	-2.014552
"441154"	641.431774	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M-2H"	-2.014552
"818829"	213.139074	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-2H"	-2.014552
"79676"	855.578124	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M-H"	-1.007276
"519601"	1283.870824	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M-H"	-1.007276
"901782"	427.285424	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-H"	-1.007276
"59440"	872.604671	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M-2H+NH4"	16.019271
"499003"	1300.897371	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M-2H+NH4"	16.019271
"873524"	444.311971	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-2H+NH4"	16.019271
"34864"	877.560066	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M-2H+Na"	20.974666
"474787"	1305.852766	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M-2H+Na"	20.974666
"852225"	449.267366	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-2H+Na"	20.974666
"1619571"	449.267366	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Na-2H"	20.974666
"98284"	445.273763	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M-H+Cl"	33.962126
"536754"	659.420113	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M-H+Cl"	33.962126
"929173"	231.127413	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-H+Cl"	33.962126
"268098"	891.554802	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+Cl"	34.969402
"665625"	1319.847502	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+Cl"	34.969402
"1273043"	463.262102	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Cl"	34.969402
"16574"	893.534006	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M-2H+K"	36.948606
"457958"	1321.826706	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M-2H+K"	36.948606
"836853"	465.241306	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-2H+K"	36.948606
"1560342"	465.241306	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+K-2H"	36.948606
"944943"	473.290894	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-H+HCOOH"	44.998194
"368628"	901.583601	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+HCOOH-H"	44.998201
"356885"	915.599251	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+Hac-H"	59.013851
"1504624"	487.306551	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Hac-H"	59.013851
"971073"	495.272851	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-H+NaCOOH"	66.980151
"123625"	463.262102	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+2Cl"	69.938804
"555163"	677.408452	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+2Cl"	69.938804
"1026151"	249.115752	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2Cl"	69.938804
"1243542"	507.211585	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Br"	78.918885
"1307083"	509.267572	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Cl+HCOOH"	80.974872
"1321302"	531.249529	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Cl+NaCOOH"	102.956829
"914549"	541.278286	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M-H+CF3COOH"	112.985586
"1288662"	577.254964	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Cl+CF3COOH"	148.962264
"1371607"	393.280024	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H-2H2O"	-35.012676
"1393478"	411.29	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H-H2O"	-17.0027
"288791"	857.592676	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+H"	1.007276
"682308"	1285.885376	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+H"	1.007276
"1355740"	429.299976	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H"	1.007276
"129356"	429.299976	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+2H"	2.014552
"567458"	643.446326	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+2H"	2.014552
"1043187"	215.153626	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2H"	2.014552
"209992"	286.535742666667	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+3H"	3.021828
"649552"	429.299976	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+3H"	3.021828
"1169871"	143.771509333333	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+3H"	3.021828
"428769"	874.619223	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+NH4"	18.033823
"793045"	1302.911923	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+NH4"	18.033823
"1691565"	446.326523	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+NH4"	18.033823
"343490"	437.8132495	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+H+NH4"	19.041099
"734451"	651.9595995	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+H+NH4"	19.041099
"1484997"	223.6668995	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H+NH4"	19.041099
"394563"	879.574618	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+Na"	22.989218
"754952"	1307.867318	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+Na"	22.989218
"1606210"	451.281918	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Na"	22.989218
"317338"	440.290947	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+H+Na"	23.996494
"711948"	654.437297	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+H+Na"	23.996494
"1465769"	226.144597	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H+Na"	23.996494
"1055004"	151.098823333333	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2H+Na"	25.00377
"1261788"	461.326186	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+CH3OH+H"	33.033486
"381458"	895.548558	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+K"	38.963158
"742453"	1323.841258	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+K"	38.963158
"1548880"	467.255858	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+K"	38.963158
"308244"	448.277917	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+H+K"	39.970434
"697388"	662.424267	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+H+K"	39.970434
"1453394"	234.131567	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H+K"	39.970434
"243088"	898.619226	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+ACN+H"	42.033826
"1215068"	470.326526	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+ACN+H"	42.033826
"1197129"	235.666901	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+ACN+2H"	43.041102
"195832"	901.55656	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+2Na-H"	44.97116
"633570"	1329.84926	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+2Na-H"	44.97116
"1137807"	473.26386	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2Na-H"	44.97116
"183283"	451.281918	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+2Na"	45.978436
"620658"	665.428268	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+2Na"	45.978436
"1121977"	237.135568	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2Na"	45.978436
"1411701"	158.426137333333	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H+2Na"	46.985712
"1443452"	475.305446	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H+HCOOH"	47.012746
"233513"	456.31494	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+3H2O+2H"	56.04448
"1517929"	489.35749	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+IsoProp+H"	61.06479
"421261"	459.268888	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+Na+K"	61.952376
"780073"	673.415238	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+Na+K"	61.952376
"1676040"	245.122538	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Na+K"	61.952376
"264380"	920.601168	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+ACN+Na"	64.015768
"1237097"	492.308468	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+ACN+Na"	64.015768
"1727077"	492.331993	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+NH4+HCOOH"	64.039293
"1192432"	165.753451333333	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+3Na"	68.967654
"1663415"	497.287388	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Na+HCOOH"	68.994688
"172466"	933.50444	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+2K-H"	76.91904
"606556"	1361.79714	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+2K-H"	76.91904
"1092163"	505.21174	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2K-H"	76.91904
"151167"	467.255858	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"2M+2K"	77.926316
"596076"	681.402208	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"3M+2K"	77.926316
"1079612"	253.109508	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2K"	77.926316
"1101885"	507.226292	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2K+H"	78.933592
"1341553"	507.313907	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+DMSO+H"	79.021207
"1009716"	511.353076	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2ACN+H"	83.060376
"1527114"	512.346708	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+IsoProp+Na+H"	84.054008
"992466"	256.180176	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+2ACN+2H"	84.067652
"1590251"	513.261328	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+K+HCOOH"	84.968628
"1417371"	543.292838	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+H+CF3COOH"	115.000138
"1150579"	276.693451	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+3ACN+2H"	125.094202
"1711066"	560.319385	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+NH4+CF3COOH"	132.026685
"1642343"	565.27478	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+Na+CF3COOH"	136.98208
"1576902"	581.24872	"C08148"	"Hydroxyprogesterone caproate;Primolut depot;17alpha-Caproyloxypregn-4-ene-320-dione"	"C27H40O4"	"428.2927"	"M+K+CF3COOH"	152.95602
"807270"	312.2089	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M"	0
"987730"	293.19051	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"72331"	207.131990666667	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"507517"	311.201624	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"880457"	103.062357333333	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"196"	311.201624	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"440535"	467.306074	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"819066"	155.097174	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"79540"	623.410524	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"521902"	935.619424	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"901892"	311.201624	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"61011"	640.437071	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"498023"	952.645971	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"870355"	328.228171	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"34973"	645.392466	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"474897"	957.601366	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"855615"	333.183566	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1619316"	333.183566	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"101675"	329.189963	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"536864"	485.294413	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"929650"	173.085513	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"267721"	659.387202	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"665735"	971.596102	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1273070"	347.178302	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"17532"	661.366406	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"458068"	973.575306	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"838056"	349.157506	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1562638"	349.157506	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"948335"	357.207094	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"368737"	669.416001	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"354808"	683.431651	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1498536"	371.222751	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"966808"	379.189051	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"118997"	347.178302	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"554180"	503.282752	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1027354"	191.073852	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1245839"	391.127785	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1309381"	393.183772	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1321411"	415.165729	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"912715"	425.194486	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1292462"	461.171164	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1374998"	277.196224	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1391402"	295.2062	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"291089"	625.425076	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"682417"	937.633976	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1352934"	313.216176	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"128737"	313.216176	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"569030"	469.320626	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1037707"	157.111726	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"209012"	209.146542666667	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"649670"	313.216176	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1166701"	105.076909333333	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"436535"	642.451623	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"796437"	954.660523	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1695689"	330.242723	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"342141"	321.7294495	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"733470"	477.8338995	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1488385"	165.6249995	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"395038"	647.407018	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"756034"	959.615918	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1606321"	335.198118	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"318542"	324.207147	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"710964"	480.311597	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1466973"	168.102697	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1058030"	112.404223333333	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1264084"	345.242386	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"383755"	663.380958	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"744749"	975.589858	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1548990"	351.172058	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"310906"	332.194117	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"697497"	488.298567	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1454597"	176.089667	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"245385"	666.451626	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1213719"	354.242726	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1197603"	177.625001	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"193754"	669.38896	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"636596"	981.59786	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1139010"	357.18006	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"183392"	335.198118	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"620769"	491.302568	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1119534"	179.093668	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1408895"	119.731537333333	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1443197"	359.221646	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"231436"	340.23114	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1517308"	373.27369	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"421371"	343.185088	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"780180"	499.289538	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1678337"	187.080638	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"264855"	688.433568	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1236113"	376.224668	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1723909"	376.248193	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1192543"	127.058851333333	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1663405"	381.203588	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"169295"	701.33684	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"605573"	1013.54574	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1093366"	389.12794	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"150182"	351.172058	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"595093"	507.276508	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1078630"	195.067608	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1101265"	391.142492	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1341663"	391.230107	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1009098"	395.269276	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1525155"	396.262908	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"993674"	198.138276	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1589267"	397.177528	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1417118"	427.209038	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1149596"	218.651551	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1711176"	444.235585	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1642453"	449.19098	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1577012"	465.16492	"C08149"	"Levonorgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"810660"	386.2457	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M"	0
"989180"	367.22731	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-H2O-H"	-19.01839
"72441"	256.489857333333	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M-3H"	-3.021828
"507627"	385.238424	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M-3H"	-3.021828
"884334"	127.741290666667	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-3H"	-3.021828
"1086"	385.238424	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M-2H"	-2.014552
"442469"	578.361274	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M-2H"	-2.014552
"820270"	192.115574	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-2H"	-2.014552
"82081"	771.484124	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M-H"	-1.007276
"522740"	1157.729824	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M-H"	-1.007276
"903095"	385.238424	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-H"	-1.007276
"61974"	788.510671	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M-2H+NH4"	16.019271
"500077"	1174.756371	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M-2H+NH4"	16.019271
"875933"	402.264971	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-2H+NH4"	16.019271
"43831"	793.466066	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M-2H+Na"	20.974666
"481203"	1179.711766	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M-2H+Na"	20.974666
"859005"	407.220366	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-2H+Na"	20.974666
"1621978"	407.220366	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Na-2H"	20.974666
"105066"	403.226763	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M-H+Cl"	33.962126
"538068"	596.349613	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M-H+Cl"	33.962126
"933770"	210.103913	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-H+Cl"	33.962126
"271235"	807.460802	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+Cl"	34.969402
"669125"	1193.706502	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+Cl"	34.969402
"1274967"	421.215102	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Cl"	34.969402
"17035"	809.440006	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M-2H+K"	36.948606
"457447"	1195.685706	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M-2H+K"	36.948606
"840353"	423.194306	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-2H+K"	36.948606
"1561655"	423.194306	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+K-2H"	36.948606
"949538"	431.243894	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-H+HCOOH"	44.998194
"367754"	817.489601	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+HCOOH-H"	44.998201
"353825"	831.505251	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+Hac-H"	59.013851
"1498283"	445.259551	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Hac-H"	59.013851
"966918"	453.225851	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-H+NaCOOH"	66.980151
"118014"	421.215102	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+2Cl"	69.938804
"556478"	614.337952	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+2Cl"	69.938804
"1027465"	228.092252	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2Cl"	69.938804
"1245950"	465.164585	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Br"	78.918885
"1311678"	467.220572	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Cl+HCOOH"	80.974872
"1322616"	489.202529	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Cl+NaCOOH"	102.956829
"913309"	499.231286	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M-H+CF3COOH"	112.985586
"1293664"	535.207964	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Cl+CF3COOH"	148.962264
"1374014"	351.233024	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H-2H2O"	-35.012676
"1392606"	369.243	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H-H2O"	-17.0027
"293386"	773.498676	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+H"	1.007276
"686902"	1159.744376	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+H"	1.007276
"1361063"	387.252976	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H"	1.007276
"132128"	387.252976	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+2H"	2.014552
"574606"	580.375826	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+2H"	2.014552
"1042315"	194.130126	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2H"	2.014552
"209122"	258.504409333333	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+3H"	3.021828
"649779"	387.252976	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+3H"	3.021828
"1166079"	129.755842666667	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+3H"	3.021828
"435552"	790.525223	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+NH4"	18.033823
"789986"	1176.770923	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+NH4"	18.033823
"1696691"	404.279523	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+NH4"	18.033823
"344074"	395.7662495	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+H+NH4"	19.041099
"734673"	588.8890995	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+H+NH4"	19.041099
"1489590"	202.6433995	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H+NH4"	19.041099
"398428"	795.480618	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+Na"	22.989218
"761612"	1181.726318	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+Na"	22.989218
"1609711"	409.234918	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Na"	22.989218
"320840"	398.243947	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+H+Na"	23.996494
"716542"	591.366797	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+H+Na"	23.996494
"1471456"	205.121097	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H+Na"	23.996494
"1065432"	137.083156666667	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2H+Na"	25.00377
"1271486"	419.279186	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+CH3OH+H"	33.033486
"387145"	811.454558	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+K"	38.963158
"753243"	1197.700258	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+K"	38.963158
"1549830"	425.208858	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+K"	38.963158
"311016"	406.230917	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+H+K"	39.970434
"699793"	599.353767	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+H+K"	39.970434
"1452520"	213.108067	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H+K"	39.970434
"245494"	814.525226	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+ACN+H"	42.033826
"1216016"	428.279526	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+ACN+H"	42.033826
"1199535"	214.643401	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+ACN+2H"	43.041102
"196051"	817.46256	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+2Na-H"	44.97116
"636706"	1203.70826	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+2Na-H"	44.97116
"1144223"	431.21686	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2Na-H"	44.97116
"186054"	409.234918	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+2Na"	45.978436
"620878"	602.357768	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+2Na"	45.978436
"1124384"	216.112068	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2Na"	45.978436
"1410095"	144.410470666667	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H+2Na"	46.985712
"1442579"	433.258446	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H+HCOOH"	47.012746
"230818"	414.26794	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+3H2O+2H"	56.04448
"1518512"	447.31049	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+IsoProp+H"	61.06479
"421117"	417.221888	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+Na+K"	61.952376
"780654"	610.344738	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+Na+K"	61.952376
"1675168"	224.099038	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Na+K"	61.952376
"262412"	836.507168	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+ACN+Na"	64.015768
"1235130"	450.261468	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+ACN+Na"	64.015768
"1720739"	450.284993	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+NH4+HCOOH"	64.039293
"1190467"	151.737784666667	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+3Na"	68.967654
"1660357"	455.240388	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Na+HCOOH"	68.994688
"166126"	849.41044	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+2K-H"	76.91904
"605682"	1235.65614	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+2K-H"	76.91904
"1091289"	463.16474	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2K-H"	76.91904
"149198"	425.208858	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"2M+2K"	77.926316
"593136"	618.331708	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"3M+2K"	77.926316
"1080561"	232.086008	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2K"	77.926316
"1104294"	465.179292	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2K+H"	78.933592
"1342865"	465.266907	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+DMSO+H"	79.021207
"1008479"	469.306076	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2ACN+H"	83.060376
"1525994"	470.299708	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+IsoProp+Na+H"	84.054008
"993784"	235.156676	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+2ACN+2H"	84.067652
"1589013"	471.214328	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+K+HCOOH"	84.968628
"1416135"	501.245838	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+H+CF3COOH"	115.000138
"1149706"	255.669951	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+3ACN+2H"	125.094202
"1711286"	518.272385	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+NH4+CF3COOH"	132.026685
"1642563"	523.22778	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+Na+CF3COOH"	136.98208
"1577122"	539.20172	"C08150"	"Medroxyprogesterone acetate;6-alpha-Methyl-17-alpha-acetoxyprogesterone;6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate"	"C24H34O4"	"386.2457"	"M+K+CF3COOH"	152.95602
"807490"	384.2301	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M"	0
"989876"	365.21171	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-H2O-H"	-19.01839
"73644"	255.146124	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M-3H"	-3.021828
"511017"	383.222824	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M-3H"	-3.021828
"882258"	127.069424	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-3H"	-3.021828
"1318"	383.222824	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M-2H"	-2.014552
"442579"	575.337874	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M-2H"	-2.014552
"820015"	191.107774	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-2H"	-2.014552
"80370"	767.452924	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M-H"	-1.007276
"522122"	1151.683024	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M-H"	-1.007276
"902112"	383.222824	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-H"	-1.007276
"62446"	784.479471	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M-2H+NH4"	16.019271
"501768"	1168.709571	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M-2H+NH4"	16.019271
"878959"	400.249371	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-2H+NH4"	16.019271
"45886"	789.434866	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M-2H+Na"	20.974666
"481313"	1173.664966	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M-2H+Na"	20.974666
"859115"	405.204766	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-2H+Na"	20.974666
"1620995"	405.204766	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Na-2H"	20.974666
"108456"	401.211163	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M-H+Cl"	33.962126
"538178"	593.326213	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M-H+Cl"	33.962126
"933880"	209.096113	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-H+Cl"	33.962126
"271345"	803.429602	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+Cl"	34.969402
"669236"	1187.659702	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+Cl"	34.969402
"1278357"	419.199502	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Cl"	34.969402
"18727"	805.408806	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M-2H+K"	36.948606
"460474"	1189.638906	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M-2H+K"	36.948606
"840463"	421.178706	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-2H+K"	36.948606
"1562858"	421.178706	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+K-2H"	36.948606
"949648"	429.228294	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-H+HCOOH"	44.998194
"368957"	813.458401	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+HCOOH-H"	44.998201
"355028"	827.474051	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+Hac-H"	59.013851
"1498393"	443.243951	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Hac-H"	59.013851
"965935"	451.210251	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-H+NaCOOH"	66.980151
"118124"	419.199502	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+2Cl"	69.938804
"556588"	611.314552	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+2Cl"	69.938804
"1028668"	227.084452	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2Cl"	69.938804
"1247153"	463.148985	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Br"	78.918885
"1312881"	465.204972	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Cl+HCOOH"	80.974872
"1321632"	487.186929	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Cl+NaCOOH"	102.956829
"914147"	497.215686	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M-H+CF3COOH"	112.985586
"1293774"	533.192364	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Cl+CF3COOH"	148.962264
"1373395"	349.217424	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H-2H2O"	-35.012676
"1390530"	367.2274	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H-H2O"	-17.0027
"292403"	769.467476	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+H"	1.007276
"685919"	1153.697576	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+H"	1.007276
"1361173"	385.237376	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H"	1.007276
"128592"	385.237376	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+2H"	2.014552
"568883"	577.352426	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+2H"	2.014552
"1040602"	193.122326	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2H"	2.014552
"209232"	257.160676	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+3H"	3.021828
"647698"	385.237376	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+3H"	3.021828
"1165821"	129.083976	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+3H"	3.021828
"427635"	786.494023	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+NH4"	18.033823
"788636"	1170.724123	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+NH4"	18.033823
"1683872"	402.263923	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+NH4"	18.033823
"340173"	393.7506495	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+H+NH4"	19.041099
"733691"	585.8656995	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+H+NH4"	19.041099
"1488606"	201.6355995	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H+NH4"	19.041099
"396715"	791.449418	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+Na"	22.989218
"760628"	1175.679518	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+Na"	22.989218
"1606539"	407.219318	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Na"	22.989218
"318763"	396.228347	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+H+Na"	23.996494
"716652"	588.343397	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+H+Na"	23.996494
"1468285"	204.113297	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H+Na"	23.996494
"1064813"	136.41129	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2H+Na"	25.00377
"1268680"	417.263586	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+CH3OH+H"	33.033486
"390534"	807.423358	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+K"	38.963158
"752622"	1191.653458	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+K"	38.963158
"1550304"	423.193258	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+K"	38.963158
"309667"	404.215317	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+H+K"	39.970434
"699902"	596.330367	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+H+K"	39.970434
"1451538"	212.100267	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H+K"	39.970434
"243419"	810.494026	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+ACN+H"	42.033826
"1215761"	426.263926	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+ACN+H"	42.033826
"1199280"	213.635601	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+ACN+2H"	43.041102
"195066"	813.43136	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+2Na-H"	44.97116
"633900"	1197.66146	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+2Na-H"	44.97116
"1136676"	429.20126	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2Na-H"	44.97116
"183612"	407.219318	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+2Na"	45.978436
"620988"	599.334368	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+2Na"	45.978436
"1124494"	215.104268	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2Na"	45.978436
"1404737"	143.738604	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H+2Na"	46.985712
"1443780"	431.242846	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H+HCOOH"	47.012746
"232748"	412.25234	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+3H2O+2H"	56.04448
"1518983"	445.29489	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+IsoProp+H"	61.06479
"419762"	415.206288	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+Na+K"	61.952376
"780398"	607.321338	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+Na+K"	61.952376
"1675638"	223.091238	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Na+K"	61.952376
"262157"	832.475968	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+ACN+Na"	64.015768
"1233051"	448.245868	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+ACN+Na"	64.015768
"1717568"	448.269393	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+NH4+HCOOH"	64.039293
"1189846"	151.065918	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+3Na"	68.967654
"1660467"	453.224788	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Na+HCOOH"	68.994688
"166235"	845.37924	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+2K-H"	76.91904
"603607"	1229.60934	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+2K-H"	76.91904
"1087754"	461.14914	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2K-H"	76.91904
"147121"	423.193258	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"2M+2K"	77.926316
"588872"	615.308308	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"3M+2K"	77.926316
"1078850"	231.078208	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2K"	77.926316
"1101606"	463.163692	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2K+H"	78.933592
"1340788"	463.251307	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+DMSO+H"	79.021207
"1008223"	467.290476	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2ACN+H"	83.060376
"1525495"	468.284108	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+IsoProp+Na+H"	84.054008
"990974"	234.148876	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+2ACN+2H"	84.067652
"1587542"	469.198728	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+K+HCOOH"	84.968628
"1414224"	499.230238	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+H+CF3COOH"	115.000138
"1150909"	254.662151	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+3ACN+2H"	125.094202
"1704835"	516.256785	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+NH4+CF3COOH"	132.026685
"1638298"	521.21218	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+Na+CF3COOH"	136.98208
"1571883"	537.18612	"C08151"	"Megestrol acetate"	"C24H32O4"	"384.2301"	"M+K+CF3COOH"	152.95602
"804320"	340.2038	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M"	0
"988667"	321.18541	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-H2O-H"	-19.01839
"70474"	225.795257333333	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M-3H"	-3.021828
"505659"	339.196524	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M-3H"	-3.021828
"880907"	112.393990666667	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-3H"	-3.021828
"455"	339.196524	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M-2H"	-2.014552
"440050"	509.298424	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M-2H"	-2.014552
"817290"	169.094624	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-2H"	-2.014552
"81204"	679.400324	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M-H"	-1.007276
"521139"	1019.604124	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M-H"	-1.007276
"902222"	339.196524	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-H"	-1.007276
"59880"	696.426871	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M-2H+NH4"	16.019271
"500539"	1036.630671	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M-2H+NH4"	16.019271
"879432"	356.223071	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-2H+NH4"	16.019271
"44051"	701.382266	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M-2H+Na"	20.974666
"481423"	1041.586066	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M-2H+Na"	20.974666
"861412"	361.178466	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-2H+Na"	20.974666
"1621469"	361.178466	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Na-2H"	20.974666
"107472"	357.184863	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M-H+Cl"	33.962126
"540473"	527.286763	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M-H+Cl"	33.962126
"937270"	187.082963	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-H+Cl"	33.962126
"271455"	715.377002	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+Cl"	34.969402
"669346"	1055.580802	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+Cl"	34.969402
"1278467"	375.173202	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Cl"	34.969402
"19930"	717.356206	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M-2H+K"	36.948606
"461678"	1057.560006	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M-2H+K"	36.948606
"839480"	377.152406	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-2H+K"	36.948606
"1561875"	377.152406	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+K-2H"	36.948606
"946478"	385.201994	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-H+HCOOH"	44.998194
"367974"	725.405801	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+HCOOH-H"	44.998201
"352949"	739.421451	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+Hac-H"	59.013851
"1498503"	399.217651	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Hac-H"	59.013851
"964950"	407.183951	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-H+NaCOOH"	66.980151
"119325"	375.173202	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+2Cl"	69.938804
"555605"	545.275102	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+2Cl"	69.938804
"1027685"	205.071302	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2Cl"	69.938804
"1246170"	419.122685	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Br"	78.918885
"1312991"	421.178672	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Cl+HCOOH"	80.974872
"1322836"	443.160629	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Cl+NaCOOH"	102.956829
"914985"	453.189386	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M-H+CF3COOH"	112.985586
"1294978"	489.166064	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Cl+CF3COOH"	148.962264
"1374234"	305.191124	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H-2H2O"	-35.012676
"1393920"	323.2011	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H-H2O"	-17.0027
"292513"	681.414876	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+H"	1.007276
"687487"	1021.618676	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+H"	1.007276
"1361283"	341.211076	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H"	1.007276
"128702"	341.211076	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+2H"	2.014552
"566804"	511.312976	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+2H"	2.014552
"1043627"	171.109176	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2H"	2.014552
"211527"	227.809809333333	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+3H"	3.021828
"648901"	341.211076	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+3H"	3.021828
"1165568"	114.408542666667	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+3H"	3.021828
"427380"	698.441423	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+NH4"	18.033823
"787653"	1038.645223	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+NH4"	18.033823
"1683982"	358.237623	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+NH4"	18.033823
"339190"	349.7243495	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+H+NH4"	19.041099
"732707"	519.8262495	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+H+NH4"	19.041099
"1488715"	179.6224495	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H+NH4"	19.041099
"397555"	703.396818	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+Na"	22.989218
"758552"	1043.600618	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+Na"	22.989218
"1606649"	363.193018	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Na"	22.989218
"318873"	352.202047	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+H+Na"	23.996494
"716762"	522.303947	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+H+Na"	23.996494
"1470581"	182.100147	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H+Na"	23.996494
"1066017"	121.735856666667	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2H+Na"	25.00377
"1267697"	373.237286	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+CH3OH+H"	33.033486
"391737"	719.370758	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+K"	38.963158
"754157"	1059.574558	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+K"	38.963158
"1550414"	379.166958	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+K"	38.963158
"309777"	360.189017	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+H+K"	39.970434
"698919"	530.290917	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+H+K"	39.970434
"1452741"	190.087117	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H+K"	39.970434
"241341"	722.441426	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+ACN+H"	42.033826
"1215142"	382.237626	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+ACN+H"	42.033826
"1200119"	191.622451	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+ACN+2H"	43.041102
"195175"	725.37876	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+2Na-H"	44.97116
"633646"	1065.58256	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+2Na-H"	44.97116
"1136058"	385.17496	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2Na-H"	44.97116
"183358"	363.193018	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+2Na"	45.978436
"621098"	533.294918	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+2Na"	45.978436
"1124604"	193.091118	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2Na"	45.978436
"1404847"	129.063170666667	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H+2Na"	46.985712
"1443162"	387.216546	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H+HCOOH"	47.012746
"231765"	368.22604	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+3H2O+2H"	56.04448
"1519093"	401.26859	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+IsoProp+H"	61.06479
"418779"	371.179988	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+Na+K"	61.952376
"776498"	541.281888	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+Na+K"	61.952376
"1675019"	201.078088	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Na+K"	61.952376
"259350"	744.423368	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+ACN+Na"	64.015768
"1234255"	404.219568	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+ACN+Na"	64.015768
"1720957"	404.243093	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+NH4+HCOOH"	64.039293
"1189955"	136.390484666667	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+3Na"	68.967654
"1661669"	409.198488	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Na+HCOOH"	68.994688
"169624"	757.32664	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+2K-H"	76.91904
"602624"	1097.53044	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+2K-H"	76.91904
"1087866"	417.12284	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2K-H"	76.91904
"147231"	379.166958	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"2M+2K"	77.926316
"588978"	549.268858	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"3M+2K"	77.926316
"1078959"	209.065058	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2K"	77.926316
"1101597"	419.137392	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2K+H"	78.933592
"1340897"	419.225007	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+DMSO+H"	79.021207
"1009427"	423.264176	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2ACN+H"	83.060376
"1524999"	424.257808	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+IsoProp+Na+H"	84.054008
"991814"	212.135726	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+2ACN+2H"	84.067652
"1587653"	425.172428	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+K+HCOOH"	84.968628
"1416352"	455.203938	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+H+CF3COOH"	115.000138
"1151019"	232.649001	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+3ACN+2H"	125.094202
"1703851"	472.230485	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+NH4+CF3COOH"	132.026685
"1638408"	477.18588	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+Na+CF3COOH"	136.98208
"1572601"	493.15982	"C08152"	"Norethindrone acetate;Norethisterone acetate"	"C22H28O3"	"340.2038"	"M+K+CF3COOH"	152.95602
"807710"	312.2089	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M"	0
"988538"	293.19051	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"70585"	207.131990666667	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"510144"	311.201624	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"886850"	103.062357333333	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"200"	311.201624	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"440202"	467.306074	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"820601"	155.097174	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"79618"	623.410524	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"520148"	935.619424	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"897957"	311.201624	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"56709"	640.437071	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"501012"	952.645971	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"876994"	328.228171	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"45257"	645.392466	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"481534"	957.601366	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"859336"	333.183566	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1626683"	333.183566	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"96648"	329.189963	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"536211"	485.294413	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"934100"	173.085513	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"278126"	659.387202	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"671644"	971.596102	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1275299"	347.178302	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"21133"	661.366406	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"465066"	973.575306	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"843963"	349.157506	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1565265"	349.157506	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"947681"	357.207094	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"368082"	669.416001	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"350871"	683.431651	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1498612"	371.222751	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"968339"	379.189051	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"116153"	347.178302	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"557900"	503.282752	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1025608"	191.073852	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1246280"	391.127785	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1313101"	393.183772	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1324037"	415.165729	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"915095"	425.194486	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1292901"	461.171164	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1374344"	277.196224	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1391844"	295.2062	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"293716"	625.425076	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"689419"	937.633976	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1361393"	313.216176	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"128448"	313.216176	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"568006"	469.320626	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1044830"	157.111726	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"211637"	209.146542666667	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"651197"	313.216176	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1167135"	105.076909333333	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"428584"	642.451623	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"787399"	954.660523	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1684820"	330.242723	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"338207"	321.7294495	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"730630"	477.8338995	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1486276"	165.6249995	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"393287"	647.407018	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"755382"	959.615918	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1604573"	335.198118	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"315824"	324.207147	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"711405"	480.311597	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1470691"	168.102697	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1059565"	112.404223333333	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1267806"	345.242386	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"386380"	663.380958	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"750654"	975.589858	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1547244"	351.172058	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"307336"	332.194117	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"695749"	488.298567	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1451756"	176.089667	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"238170"	666.451626	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1211972"	354.242726	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1196947"	177.625001	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"193099"	669.38896	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"632661"	981.59786	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1132521"	357.18006	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"178365"	335.198118	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"621205"	491.302568	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1118517"	179.093668	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1404957"	119.731537333333	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1440353"	359.221646	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"231142"	340.23114	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1519203"	373.27369	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"418889"	343.185088	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"773328"	499.289538	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1675858"	187.080638	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"259460"	688.433568	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1236552"	376.224668	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1723252"	376.248193	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1191887"	127.058851333333	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1661779"	381.203588	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"168640"	701.33684	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"602734"	1013.54574	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1089798"	389.12794	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"148437"	351.172058	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"590182"	507.276508	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1079069"	195.067608	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1101708"	391.142492	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1341007"	391.230107	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1009539"	395.269276	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1526933"	396.262908	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"993017"	198.138276	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1588980"	397.177528	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1414438"	427.209038	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1151129"	218.651551	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1706148"	444.235585	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1638518"	449.19098	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1572711"	465.16492	"C08153"	"Norgestrel;(-)-Norgestrel"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"807820"	428.329	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M"	0
"989377"	409.31061	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-H2O-H"	-19.01839
"69602"	284.545390666667	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M-3H"	-3.021828
"508067"	427.321724	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M-3H"	-3.021828
"885867"	141.769057333333	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-3H"	-3.021828
"1163"	427.321724	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M-2H"	-2.014552
"440843"	641.486224	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M-2H"	-2.014552
"820711"	213.157224	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-2H"	-2.014552
"79850"	855.650724	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M-H"	-1.007276
"519531"	1283.979724	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M-H"	-1.007276
"898067"	427.321724	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-H"	-1.007276
"57912"	872.677271	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M-2H+NH4"	16.019271
"500637"	1301.006271	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M-2H+NH4"	16.019271
"876013"	444.348271	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-2H+NH4"	16.019271
"42084"	877.632666	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M-2H+Na"	20.974666
"476177"	1305.961666	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M-2H+Na"	20.974666
"856166"	449.303666	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-2H+Na"	20.974666
"1627886"	449.303666	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Na-2H"	20.974666
"96758"	445.310063	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M-H+Cl"	33.962126
"535228"	659.474563	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M-H+Cl"	33.962126
"930930"	231.145563	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-H+Cl"	33.962126
"278236"	891.627402	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+Cl"	34.969402
"670661"	1319.956402	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+Cl"	34.969402
"1277595"	463.298402	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Cl"	34.969402
"21243"	893.606606	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M-2H+K"	36.948606
"464083"	1321.935606	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M-2H+K"	36.948606
"842980"	465.277606	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-2H+K"	36.948606
"1565376"	465.277606	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+K-2H"	36.948606
"949978"	473.327194	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-H+HCOOH"	44.998194
"368192"	901.656201	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+HCOOH-H"	44.998201
"349888"	915.671851	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+Hac-H"	59.013851
"1497993"	487.342851	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Hac-H"	59.013851
"967356"	495.309151	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-H+NaCOOH"	66.980151
"117355"	463.298402	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+2Cl"	69.938804
"556917"	677.462902	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+2Cl"	69.938804
"1028997"	249.133902	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2Cl"	69.938804
"1249670"	507.247885	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Br"	78.918885
"1313211"	509.303872	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Cl+HCOOH"	80.974872
"1329615"	531.285829	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Cl+NaCOOH"	102.956829
"912048"	541.314586	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M-H+CF3COOH"	112.985586
"1293011"	577.291264	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Cl+CF3COOH"	148.962264
"1374455"	393.316324	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H-2H2O"	-35.012676
"1394140"	411.3263	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H-H2O"	-17.0027
"294919"	857.665276	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+H"	1.007276
"689164"	1285.994276	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+H"	1.007276
"1361503"	429.336276	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H"	1.007276
"130017"	429.336276	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+2H"	2.014552
"568483"	643.500776	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+2H"	2.014552
"1040928"	215.171776	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2H"	2.014552
"207730"	286.559942666667	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+3H"	3.021828
"650212"	429.336276	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+3H"	3.021828
"1166511"	143.783609333333	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+3H"	3.021828
"429788"	874.691823	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+NH4"	18.033823
"789695"	1303.020823	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+NH4"	18.033823
"1684931"	446.362823	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+NH4"	18.033823
"339410"	437.8495495	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+H+NH4"	19.041099
"734020"	652.0140495	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+H+NH4"	19.041099
"1485657"	223.6850495	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H+NH4"	19.041099
"396681"	879.647218	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+Na"	22.989218
"755490"	1307.976218	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+Na"	22.989218
"1606139"	451.318218	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Na"	22.989218
"317633"	440.327247	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+H+Na"	23.996494
"713703"	654.491747	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+H+Na"	23.996494
"1467521"	226.162747	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H+Na"	23.996494
"1061863"	151.110923333333	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2H+Na"	25.00377
"1262450"	461.362486	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+CH3OH+H"	33.033486
"384304"	895.621158	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+K"	38.963158
"752223"	1323.950158	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+K"	38.963158
"1547353"	467.292158	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+K"	38.963158
"305623"	448.314217	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+H+K"	39.970434
"695859"	662.478717	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+H+K"	39.970434
"1449679"	234.149717	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H+K"	39.970434
"237915"	898.691826	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+ACN+H"	42.033826
"1212079"	470.362826	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+ACN+H"	42.033826
"1197417"	235.685051	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+ACN+2H"	43.041102
"189682"	901.62916	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+2Na-H"	44.97116
"630219"	1329.95816	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+2Na-H"	44.97116
"1134087"	473.30016	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2Na-H"	44.97116
"178473"	451.318218	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+2Na"	45.978436
"615845"	665.482718	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+2Na"	45.978436
"1120445"	237.153718	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2Na"	45.978436
"1403239"	158.438237333333	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H+2Na"	46.985712
"1437183"	475.341746	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H+HCOOH"	47.012746
"231252"	456.35124	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+3H2O+2H"	56.04448
"1512752"	489.39379	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+IsoProp+H"	61.06479
"415718"	459.305188	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+Na+K"	61.952376
"774531"	673.469688	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+Na+K"	61.952376
"1677061"	245.140688	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Na+K"	61.952376
"260664"	920.673768	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+ACN+Na"	64.015768
"1236662"	492.344768	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+ACN+Na"	64.015768
"1724456"	492.368293	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+NH4+HCOOH"	64.039293
"1191269"	165.765551333333	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+3Na"	68.967654
"1662619"	497.323688	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Na+HCOOH"	68.994688
"168750"	933.57704	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+2K-H"	76.91904
"601749"	1361.90604	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+2K-H"	76.91904
"1090637"	505.24804	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2K-H"	76.91904
"149639"	467.292158	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"2M+2K"	77.926316
"587011"	681.456658	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"3M+2K"	77.926316
"1075898"	253.127658	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2K"	77.926316
"1102546"	507.262592	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2K+H"	78.933592
"1338931"	507.350207	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+DMSO+H"	79.021207
"1010012"	511.389376	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2ACN+H"	83.060376
"1526679"	512.383008	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+IsoProp+Na+H"	84.054008
"993127"	256.198326	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+2ACN+2H"	84.067652
"1588361"	513.297628	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+K+HCOOH"	84.968628
"1414993"	543.329138	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+H+CF3COOH"	115.000138
"1151239"	276.711601	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+3ACN+2H"	125.094202
"1706258"	560.355685	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+NH4+CF3COOH"	132.026685
"1638628"	565.31108	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+Na+CF3COOH"	136.98208
"1572092"	581.28502	"C08154"	"Nandrolone decanoate"	"C28H44O3"	"428.329"	"M+K+CF3COOH"	152.95602
"816764"	406.2508	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M"	0
"987662"	387.23241	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-H2O-H"	-19.01839
"70805"	269.826590666667	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M-3H"	-3.021828
"509270"	405.243524	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M-3H"	-3.021828
"885977"	134.409657333333	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-3H"	-3.021828
"3460"	405.243524	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M-2H"	-2.014552
"443020"	608.368924	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M-2H"	-2.014552
"821915"	202.118124	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-2H"	-2.014552
"81538"	811.494324	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M-H"	-1.007276
"520977"	1217.745124	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M-H"	-1.007276
"900365"	405.243524	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-H"	-1.007276
"58022"	828.520871	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M-2H+NH4"	16.019271
"501595"	1234.771671	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M-2H+NH4"	16.019271
"878675"	422.270071	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-2H+NH4"	16.019271
"45483"	833.476266	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M-2H+Na"	20.974666
"485403"	1239.727066	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M-2H+Na"	20.974666
"859556"	427.225466	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-2H+Na"	20.974666
"1630183"	427.225466	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Na-2H"	20.974666
"100149"	423.231863	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M-H+Cl"	33.962126
"536431"	626.357263	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M-H+Cl"	33.962126
"931040"	220.106463	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-H+Cl"	33.962126
"278346"	847.471002	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+Cl"	34.969402
"671864"	1253.721802	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+Cl"	34.969402
"1278799"	441.220202	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Cl"	34.969402
"23540"	849.450206	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M-2H+K"	36.948606
"467477"	1255.701006	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M-2H+K"	36.948606
"843092"	443.199406	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-2H+K"	36.948606
"1568401"	443.199406	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+K-2H"	36.948606
"953368"	451.248994	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-H+HCOOH"	44.998194
"367576"	857.499801	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+HCOOH-H"	44.998201
"354373"	871.515451	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+Hac-H"	59.013851
"1502110"	465.264651	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Hac-H"	59.013851
"967467"	473.230951	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-H+NaCOOH"	66.980151
"116376"	441.220202	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+2Cl"	69.938804
"559215"	644.345602	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+2Cl"	69.938804
"1031294"	238.094802	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2Cl"	69.938804
"1255246"	485.169685	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Br"	78.918885
"1310041"	487.225672	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Cl+HCOOH"	80.974872
"1329725"	509.207629	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Cl+NaCOOH"	102.956829
"913495"	519.236386	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M-H+CF3COOH"	112.985586
"1290569"	555.213064	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Cl+CF3COOH"	148.962264
"1374565"	371.238124	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H-2H2O"	-35.012676
"1394251"	389.2481	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H-H2O"	-17.0027
"295030"	813.508876	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+H"	1.007276
"685266"	1219.759676	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+H"	1.007276
"1361614"	407.258076	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H"	1.007276
"136688"	407.258076	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+2H"	2.014552
"568229"	610.383476	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+2H"	2.014552
"1041767"	204.132676	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2H"	2.014552
"209668"	271.841142666667	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+3H"	3.021828
"649230"	407.258076	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+3H"	3.021828
"1169544"	136.424209333333	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+3H"	3.021828
"432816"	830.535423	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+NH4"	18.033823
"789439"	1236.786223	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+NH4"	18.033823
"1685773"	424.284623	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+NH4"	18.033823
"340618"	415.7713495	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+H+NH4"	19.041099
"734132"	618.8967495	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+H+NH4"	19.041099
"1486859"	212.6459495	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H+NH4"	19.041099
"396426"	835.490818	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+Na"	22.989218
"756694"	1241.741618	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+Na"	22.989218
"1609169"	429.240018	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Na"	22.989218
"315196"	418.249047	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+H+Na"	23.996494
"714907"	621.374447	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+H+Na"	23.996494
"1466539"	215.123647	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H+Na"	23.996494
"1066836"	143.751523333333	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2H+Na"	25.00377
"1263653"	439.284286	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+CH3OH+H"	33.033486
"386601"	851.464758	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+K"	38.963158
"751969"	1257.715558	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+K"	38.963158
"1548557"	445.213958	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+K"	38.963158
"304642"	426.236017	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+H+K"	39.970434
"700342"	629.361417	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+H+K"	39.970434
"1447603"	223.110617	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H+K"	39.970434
"238756"	854.535426	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+ACN+H"	42.033826
"1213646"	448.284626	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+ACN+H"	42.033826
"1197531"	224.645951	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+ACN+2H"	43.041102
"189674"	857.47276	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+2Na-H"	44.97116
"629597"	1263.72356	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+2Na-H"	44.97116
"1133834"	451.22196	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2Na-H"	44.97116
"176397"	429.240018	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+2Na"	45.978436
"614865"	632.365418	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+2Na"	45.978436
"1118371"	226.114618	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2Na"	45.978436
"1404082"	151.078837333333	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H+2Na"	46.985712
"1431457"	453.263546	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H+HCOOH"	47.012746
"223706"	434.27304	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+3H2O+2H"	56.04448
"1512860"	467.31559	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+IsoProp+H"	61.06479
"413637"	437.226988	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+Na+K"	61.952376
"774641"	640.352388	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+Na+K"	61.952376
"1676441"	234.101588	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Na+K"	61.952376
"261867"	876.517368	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+ACN+Na"	64.015768
"1238961"	470.266568	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+ACN+Na"	64.015768
"1720188"	470.290093	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+NH4+HCOOH"	64.039293
"1191012"	158.406151333333	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+3Na"	68.967654
"1663945"	475.245488	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Na+HCOOH"	68.994688
"168860"	889.42064	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+2K-H"	76.91904
"605140"	1295.67144	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+2K-H"	76.91904
"1091838"	483.16984	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2K-H"	76.91904
"150844"	445.213958	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"2M+2K"	77.926316
"588214"	648.339358	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"3M+2K"	77.926316
"1077101"	242.088558	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2K"	77.926316
"1102656"	485.184392	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2K+H"	78.933592
"1340136"	485.272007	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+DMSO+H"	79.021207
"1009760"	489.311176	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2ACN+H"	83.060376
"1526791"	490.304808	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+IsoProp+Na+H"	84.054008
"992874"	245.159226	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+2ACN+2H"	84.067652
"1588108"	491.219428	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+K+HCOOH"	84.968628
"1415591"	521.250938	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+H+CF3COOH"	115.000138
"1152443"	265.672501	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+3ACN+2H"	125.094202
"1699808"	538.277485	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+NH4+CF3COOH"	132.026685
"1639834"	543.23288	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+Na+CF3COOH"	136.98208
"1571838"	559.20682	"C08155"	"Nandrolone phenpropionate;Nandrolone phenylpropionate"	"C27H34O3"	"406.2508"	"M+K+CF3COOH"	152.95602
"808040"	412.2977	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M"	0
"989232"	393.27931	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-H2O-H"	-19.01839
"75288"	273.857857333333	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M-3H"	-3.021828
"508288"	411.290424	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M-3H"	-3.021828
"882807"	136.425290666667	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-3H"	-3.021828
"1382"	411.290424	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M-2H"	-2.014552
"444224"	617.439274	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M-2H"	-2.014552
"821295"	205.141574	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-2H"	-2.014552
"80918"	823.588124	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M-H"	-1.007276
"521210"	1235.885824	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M-H"	-1.007276
"900475"	411.290424	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-H"	-1.007276
"57038"	840.614671	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M-2H+NH4"	16.019271
"496600"	1252.912371	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M-2H+NH4"	16.019271
"878657"	428.316971	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-2H+NH4"	16.019271
"45584"	845.570066	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M-2H+Na"	20.974666
"479677"	1257.867766	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M-2H+Na"	20.974666
"857479"	433.272366	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-2H+Na"	20.974666
"1628106"	433.272366	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Na-2H"	20.974666
"100259"	429.278763	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M-H+Cl"	33.962126
"538726"	635.427613	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M-H+Cl"	33.962126
"931150"	223.129913	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-H+Cl"	33.962126
"278456"	859.564802	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+Cl"	34.969402
"674527"	1271.862502	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+Cl"	34.969402
"1281096"	447.267102	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Cl"	34.969402
"29849"	861.544006	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M-2H+K"	36.948606
"467587"	1273.841706	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M-2H+K"	36.948606
"841018"	449.246306	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-2H+K"	36.948606
"1564505"	449.246306	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+K-2H"	36.948606
"952385"	457.295894	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-H+HCOOH"	44.998194
"369510"	869.593601	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+HCOOH-H"	44.998201
"352299"	883.609251	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+Hac-H"	59.013851
"1502222"	471.311551	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Hac-H"	59.013851
"968672"	479.277851	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-H+NaCOOH"	66.980151
"119766"	447.267102	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+2Cl"	69.938804
"560419"	653.415952	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+2Cl"	69.938804
"1033591"	241.118252	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2Cl"	69.938804
"1255357"	491.216585	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Br"	78.918885
"1315618"	493.272572	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Cl+HCOOH"	80.974872
"1328741"	515.254529	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Cl+NaCOOH"	102.956829
"915427"	525.283286	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M-H+CF3COOH"	112.985586
"1290679"	561.259964	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Cl+CF3COOH"	148.962264
"1376861"	377.285024	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H-2H2O"	-35.012676
"1393265"	395.295	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H-H2O"	-17.0027
"290765"	825.602676	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+H"	1.007276
"686466"	1237.900376	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+H"	1.007276
"1362090"	413.304976	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H"	1.007276
"134613"	413.304976	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+2H"	2.014552
"573080"	619.453826	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+2H"	2.014552
"1042972"	207.156126	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2H"	2.014552
"213061"	275.872409333333	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+3H"	3.021828
"655903"	413.304976	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+3H"	3.021828
"1176216"	138.439842666667	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+3H"	3.021828
"434021"	842.629223	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+NH4"	18.033823
"792830"	1254.926923	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+NH4"	18.033823
"1688069"	430.331523	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+NH4"	18.033823
"339638"	421.8182495	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+H+NH4"	19.041099
"734242"	627.9670995	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+H+NH4"	19.041099
"1482597"	215.6693995	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H+NH4"	19.041099
"397996"	847.584618	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+Na"	22.989218
"756803"	1259.882318	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+Na"	22.989218
"1604176"	435.286918	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Na"	22.989218
"319316"	424.295947	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+H+Na"	23.996494
"713926"	630.444797	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+H+Na"	23.996494
"1473215"	218.147097	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H+Na"	23.996494
"1063179"	145.767156666667	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2H+Na"	25.00377
"1268137"	445.331186	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+CH3OH+H"	33.033486
"391819"	863.558558	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+K"	38.963158
"752082"	1275.856258	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+K"	38.963158
"1553042"	451.260858	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+K"	38.963158
"309126"	432.282917	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+H+K"	39.970434
"698267"	638.431767	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+H+K"	39.970434
"1448077"	226.134067	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H+K"	39.970434
"238866"	866.629226	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+ACN+H"	42.033826
"1214487"	454.331526	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+ACN+H"	42.033826
"1200557"	227.669401	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+ACN+2H"	43.041102
"192335"	869.56656	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+2Na-H"	44.97116
"631166"	1281.86426	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+2Na-H"	44.97116
"1135767"	457.26886	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2Na-H"	44.97116
"177964"	435.286918	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+2Na"	45.978436
"617888"	641.435768	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+2Na"	45.978436
"1123946"	229.138068	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2Na"	45.978436
"1405286"	153.094470666667	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H+2Na"	46.985712
"1434120"	459.310446	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H+HCOOH"	47.012746
"222721"	440.31994	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+3H2O+2H"	56.04448
"1513333"	473.36249	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+IsoProp+H"	61.06479
"413749"	443.273888	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+Na+K"	61.952376
"776936"	649.422738	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+Na+K"	61.952376
"1673272"	237.125038	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Na+K"	61.952376
"262706"	888.611168	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+ACN+Na"	64.015768
"1237613"	476.313468	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+ACN+Na"	64.015768
"1720297"	476.336993	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+NH4+HCOOH"	64.039293
"1188935"	160.421784666667	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+3Na"	68.967654
"1662110"	481.292388	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Na+HCOOH"	68.994688
"164596"	901.51444	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+2K-H"	76.91904
"604156"	1313.81214	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+2K-H"	76.91904
"1088669"	489.21674	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2K-H"	76.91904
"148767"	451.260858	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"2M+2K"	77.926316
"586137"	657.409708	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"3M+2K"	77.926316
"1080492"	245.112008	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2K"	77.926316
"1106044"	491.231292	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2K+H"	78.933592
"1343524"	491.318907	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+DMSO+H"	79.021207
"1010963"	495.358076	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2ACN+H"	83.060376
"1527266"	496.351708	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+IsoProp+Na+H"	84.054008
"993352"	248.182676	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+2ACN+2H"	84.067652
"1595508"	497.266328	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+K+HCOOH"	84.968628
"1416796"	527.297838	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+H+CF3COOH"	115.000138
"1150365"	268.695951	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+3ACN+2H"	125.094202
"1702105"	544.324385	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+NH4+CF3COOH"	132.026685
"1637757"	549.27978	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+Na+CF3COOH"	136.98208
"1572314"	565.25372	"C08156"	"Testosterone cypionate"	"C27H40O3"	"412.2977"	"M+K+CF3COOH"	152.95602
"814711"	400.2977	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M"	0
"989220"	381.27931	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-H2O-H"	-19.01839
"72116"	265.857857333333	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M-3H"	-3.021828
"505116"	399.290424	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M-3H"	-3.021828
"882917"	132.425290666667	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-3H"	-3.021828
"1488"	399.290424	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M-2H"	-2.014552
"444333"	599.439274	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M-2H"	-2.014552
"820312"	199.141574	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-2H"	-2.014552
"79935"	799.588124	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M-H"	-1.007276
"519497"	1199.885824	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M-H"	-1.007276
"900585"	399.290424	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-H"	-1.007276
"57148"	816.614671	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M-2H+NH4"	16.019271
"498897"	1216.912371	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M-2H+NH4"	16.019271
"878889"	416.316971	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-2H+NH4"	16.019271
"38040"	821.570066	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M-2H+Na"	20.974666
"477600"	1221.867766	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M-2H+Na"	20.974666
"856496"	421.272366	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-2H+Na"	20.974666
"1629310"	421.272366	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Na-2H"	20.974666
"103650"	417.278763	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M-H+Cl"	33.962126
"537377"	617.427613	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M-H+Cl"	33.962126
"934539"	217.129913	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-H+Cl"	33.962126
"277473"	835.564802	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+Cl"	34.969402
"674758"	1235.862502	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+Cl"	34.969402
"1285581"	435.267102	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Cl"	34.969402
"25950"	837.544006	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M-2H+K"	36.948606
"465510"	1237.841706	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M-2H+K"	36.948606
"842222"	437.246306	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-2H+K"	36.948606
"1563523"	437.246306	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+K-2H"	36.948606
"949215"	445.295894	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-H+HCOOH"	44.998194
"368528"	845.593601	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+HCOOH-H"	44.998201
"349490"	859.609251	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+Hac-H"	59.013851
"1501242"	459.311551	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Hac-H"	59.013851
"968783"	467.277851	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-H+NaCOOH"	66.980151
"115867"	435.267102	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+2Cl"	69.938804
"557249"	635.415952	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+2Cl"	69.938804
"1029328"	235.118252	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2Cl"	69.938804
"1248909"	479.216585	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Br"	78.918885
"1308077"	481.272572	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Cl+HCOOH"	80.974872
"1326666"	503.254529	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Cl+NaCOOH"	102.956829
"913350"	513.283286	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M-H+CF3COOH"	112.985586
"1295530"	549.259964	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Cl+CF3COOH"	148.962264
"1375877"	365.285024	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H-2H2O"	-35.012676
"1389000"	383.295	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H-H2O"	-17.0027
"291968"	801.602676	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+H"	1.007276
"683295"	1201.900376	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+H"	1.007276
"1362564"	401.304976	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H"	1.007276
"134723"	401.304976	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+2H"	2.014552
"573191"	601.453826	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+2H"	2.014552
"1041625"	201.156126	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2H"	2.014552
"214266"	267.872409333333	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+3H"	3.021828
"651639"	401.304976	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+3H"	3.021828
"1173047"	134.439842666667	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+3H"	3.021828
"430852"	818.629223	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+NH4"	18.033823
"789659"	1218.926923	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+NH4"	18.033823
"1685993"	418.331523	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+NH4"	18.033823
"341934"	409.8182495	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+H+NH4"	19.041099
"734352"	609.9670995	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+H+NH4"	19.041099
"1479792"	209.6693995	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H+NH4"	19.041099
"398106"	823.584618	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+Na"	22.989218
"760193"	1223.882318	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+Na"	22.989218
"1606109"	423.286918	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Na"	22.989218
"320519"	412.295947	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+H+Na"	23.996494
"715129"	612.444797	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+H+Na"	23.996494
"1472232"	212.147097	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H+Na"	23.996494
"1064383"	141.767156666667	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2H+Na"	25.00377
"1267155"	433.331186	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+CH3OH+H"	33.033486
"391199"	839.558558	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+K"	38.963158
"752192"	1239.856258	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+K"	38.963158
"1553882"	439.260858	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+K"	38.963158
"305957"	420.282917	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+H+K"	39.970434
"696188"	620.431767	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+H+K"	39.970434
"1446363"	220.134067	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H+K"	39.970434
"238612"	842.629226	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+ACN+H"	42.033826
"1212775"	442.331526	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+ACN+H"	42.033826
"1198480"	221.669401	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+ACN+2H"	43.041102
"191715"	845.56656	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+2Na-H"	44.97116
"630182"	1245.86426	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+2Na-H"	44.97116
"1134054"	445.26886	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2Na-H"	44.97116
"176981"	423.286918	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+2Na"	45.978436
"615810"	623.435768	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+2Na"	45.978436
"1118590"	223.138068	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2Na"	45.978436
"1407583"	149.094470666667	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H+2Na"	46.985712
"1435325"	447.310446	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H+HCOOH"	47.012746
"221739"	428.31994	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+3H2O+2H"	56.04448
"1513079"	461.36249	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+IsoProp+H"	61.06479
"413129"	431.273888	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+Na+K"	61.952376
"775953"	631.422738	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+Na+K"	61.952376
"1674474"	231.125038	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Na+K"	61.952376
"262087"	864.611168	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+ACN+Na"	64.015768
"1231523"	464.313468	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+ACN+Na"	64.015768
"1724786"	464.336993	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+NH4+HCOOH"	64.039293
"1185765"	156.421784666667	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+3Na"	68.967654
"1658938"	469.292388	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Na+HCOOH"	68.994688
"164706"	877.51444	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+2K-H"	76.91904
"602079"	1277.81214	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+2K-H"	76.91904
"1090964"	477.21674	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2K-H"	76.91904
"148877"	439.260858	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"2M+2K"	77.926316
"587340"	639.409708	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"3M+2K"	77.926316
"1078414"	239.112008	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2K"	77.926316
"1105061"	479.231292	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2K+H"	78.933592
"1342540"	479.318907	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+DMSO+H"	79.021207
"1011073"	483.358076	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2ACN+H"	83.060376
"1528833"	484.351708	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+IsoProp+Na+H"	84.054008
"994555"	242.182676	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+2ACN+2H"	84.067652
"1592339"	485.266328	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+K+HCOOH"	84.968628
"1416906"	515.297838	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+H+CF3COOH"	115.000138
"1150476"	262.695951	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+3ACN+2H"	125.094202
"1701121"	532.324385	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+NH4+CF3COOH"	132.026685
"1640054"	537.27978	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+Na+CF3COOH"	136.98208
"1572423"	553.25372	"C08157"	"Testosterone enanthate"	"C26H40O3"	"400.2977"	"M+K+CF3COOH"	152.95602
"814821"	344.2351	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M"	0
"983983"	325.21671	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"67855"	228.482790666667	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"504133"	343.227824	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"881935"	113.737757333333	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"384"	343.227824	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"445537"	515.345374	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"820058"	171.110274	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"79685"	687.462924	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"519610"	1031.698024	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"900695"	343.227824	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"57258"	704.489471	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"499007"	1048.724571	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"876811"	360.254371	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"34869"	709.444866	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"471875"	1053.679966	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"849433"	365.209766	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1630513"	365.209766	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"97201"	361.216163	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"540039"	533.333713	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"932462"	189.098613	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"278676"	723.439602	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"673288"	1067.674702	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1286785"	379.204502	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"26060"	725.418806	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"466713"	1069.653906	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"841239"	381.183706	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1565819"	381.183706	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"949326"	389.233294	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"369730"	733.468401	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"349602"	747.484051	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1501352"	403.248951	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"967800"	411.215251	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"119985"	379.204502	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"557359"	551.322052	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1028344"	207.086952	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1246831"	423.153985	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1308187"	425.209972	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1323860"	447.191929	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"912367"	457.220686	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1295640"	493.197364	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1375987"	309.222424	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1389110"	327.2324	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"285515"	689.477476	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"683405"	1033.712576	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1360849"	345.242376	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"133740"	345.242376	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"573300"	517.359926	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1043557"	173.124826	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"211094"	230.497342666667	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"651748"	345.242376	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1174249"	115.752309333333	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"428774"	706.504023	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"789768"	1050.739123	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1682455"	362.268923	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"342042"	353.7556495	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"734462"	525.8731995	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1489377"	181.6380995	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"399310"	711.459418	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"761397"	1055.694518	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1606219"	367.224318	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"317713"	356.233347	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"714146"	528.350897	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1475622"	184.115797	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1062306"	123.079623333333	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1266172"	377.268586	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"390216"	727.433358	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"751209"	1071.668458	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1552169"	383.198258	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"304972"	364.220317	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"693017"	536.337867	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1447933"	192.102767	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"236535"	730.504026	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1213248"	386.268926	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1196401"	193.638101	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"191460"	733.44136	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"631749"	1077.67646	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1133798"	389.20626	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"175266"	367.224318	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"615919"	539.341868	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1117605"	195.106768	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1404412"	130.406937333333	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1433248"	391.247846	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"224035"	372.25734	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1513188"	405.29989	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"411782"	375.211288	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"774969"	547.328838	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1673489"	203.093738	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"256730"	752.485968	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1236007"	408.250868	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1721614"	408.274393	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1186968"	137.734251333333	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1663423"	413.229788	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"163722"	765.38924	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"604377"	1109.62434	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1093263"	421.15414	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"148987"	383.198258	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"588543"	555.315808	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1076339"	211.080708	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1106265"	423.168692	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1342651"	423.256307	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1012276"	427.295476	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1531495"	428.289108	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"996852"	214.151376	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1591355"	429.203728	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1417016"	459.235238	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1149493"	234.664651	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1701233"	476.261785	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1637977"	481.21718	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1572169"	497.19112	"C08158"	"Testosterone propionate"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"813838"	293.164	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M"	0
"987373"	274.14561	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-H2O-H"	-19.01839
"66872"	194.435390666667	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M-3H"	-3.021828
"505336"	292.156724	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M-3H"	-3.021828
"883139"	96.7140573333333	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-3H"	-3.021828
"1712"	292.156724	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M-2H"	-2.014552
"447834"	438.738724	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M-2H"	-2.014552
"823448"	145.574724	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-2H"	-2.014552
"80521"	585.320724	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M-H"	-1.007276
"525190"	878.484724	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M-H"	-1.007276
"905180"	292.156724	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-H"	-1.007276
"60529"	602.347271	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M-2H+NH4"	16.019271
"499117"	895.511271	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M-2H+NH4"	16.019271
"876921"	309.183271	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-2H+NH4"	16.019271
"34979"	607.302666	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M-2H+Na"	20.974666
"472716"	900.466666	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M-2H+Na"	20.974666
"856714"	314.138666	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-2H+Na"	20.974666
"1630625"	314.138666	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Na-2H"	20.974666
"103872"	310.145063	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M-H+Cl"	33.962126
"541246"	456.727063	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M-H+Cl"	33.962126
"933667"	163.563063	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-H+Cl"	33.962126
"277693"	621.297402	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+Cl"	34.969402
"673396"	914.461402	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+Cl"	34.969402
"1282521"	328.133402	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Cl"	34.969402
"22890"	623.276606	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M-2H+K"	36.948606
"463543"	916.440606	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M-2H+K"	36.948606
"839525"	330.112606	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-2H+K"	36.948606
"1561919"	330.112606	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+K-2H"	36.948606
"949437"	338.162194	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-H+HCOOH"	44.998194
"369840"	631.326201	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+HCOOH-H"	44.998201
"349712"	645.341851	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+Hac-H"	59.013851
"1501464"	352.177851	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Hac-H"	59.013851
"969004"	360.144151	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-H+NaCOOH"	66.980151
"117909"	328.133402	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+2Cl"	69.938804
"556377"	474.715402	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+2Cl"	69.938804
"1027362"	181.551402	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2Cl"	69.938804
"1246941"	372.082885	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Br"	78.918885
"1310848"	374.138872	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Cl+HCOOH"	80.974872
"1323971"	396.120829	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Cl+NaCOOH"	102.956829
"912842"	406.149586	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M-H+CF3COOH"	112.985586
"1291374"	442.126264	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Cl+CF3COOH"	148.962264
"1375007"	258.151324	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H-2H2O"	-35.012676
"1392503"	276.1613	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H-H2O"	-17.0027
"287084"	587.335276	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+H"	1.007276
"680235"	880.499276	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+H"	1.007276
"1356586"	294.171276	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H"	1.007276
"132757"	294.171276	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+2H"	2.014552
"570131"	440.753276	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+2H"	2.014552
"1039295"	147.589276	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2H"	2.014552
"209017"	196.449942666667	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+3H"	3.021828
"650764"	294.171276	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+3H"	3.021828
"1172171"	98.7286093333333	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+3H"	3.021828
"431070"	604.361823	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+NH4"	18.033823
"793160"	897.525823	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+NH4"	18.033823
"1685116"	311.197823	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+NH4"	18.033823
"341789"	302.6845495	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+H+NH4"	19.041099
"735302"	449.2665495	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+H+NH4"	19.041099
"1490582"	156.1025495	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H+NH4"	19.041099
"399420"	609.317218	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+Na"	22.989218
"762601"	902.481218	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+Na"	22.989218
"1608516"	316.153218	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Na"	22.989218
"320740"	305.162247	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+H+Na"	23.996494
"717536"	451.744247	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+H+Na"	23.996494
"1475611"	158.580247	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H+Na"	23.996494
"1061323"	106.055923333333	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2H+Na"	25.00377
"1269562"	326.197486	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+CH3OH+H"	33.033486
"389962"	625.291158	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+K"	38.963158
"752412"	918.455158	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+K"	38.963158
"1551186"	332.127158	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+K"	38.963158
"301801"	313.149217	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+H+K"	39.970434
"693127"	459.731217	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+H+K"	39.970434
"1448043"	166.567217	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H+K"	39.970434
"238832"	628.361826	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+ACN+H"	42.033826
"1215179"	335.197826	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+ACN+H"	42.033826
"1196875"	168.102551	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+ACN+2H"	43.041102
"192665"	631.29916	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+2Na-H"	44.97116
"630767"	924.46316	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+2Na-H"	44.97116
"1133908"	338.13516	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2Na-H"	44.97116
"173553"	316.153218	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+2Na"	45.978436
"614571"	462.735218	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+2Na"	45.978436
"1118080"	169.571218	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2Na"	45.978436
"1405982"	113.383237333333	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H+2Na"	46.985712
"1431171"	340.176746	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H+HCOOH"	47.012746
"224146"	321.18624	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+3H2O+2H"	56.04448
"1510384"	354.22879	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+IsoProp+H"	61.06479
"410799"	324.140188	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+Na+K"	61.952376
"772893"	470.722188	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+Na+K"	61.952376
"1670318"	177.558188	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Na+K"	61.952376
"257932"	650.343768	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+ACN+Na"	64.015768
"1231013"	357.179768	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+ACN+Na"	64.015768
"1721724"	357.203293	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+NH4+HCOOH"	64.039293
"1184890"	120.710551333333	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+3Na"	68.967654
"1663532"	362.158688	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Na+HCOOH"	68.994688
"164926"	663.24704	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+2K-H"	76.91904
"604487"	956.41104	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+2K-H"	76.91904
"1090093"	370.08304	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2K-H"	76.91904
"150191"	332.127158	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"2M+2K"	77.926316
"586468"	478.709158	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"3M+2K"	77.926316
"1076448"	185.545158	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2K"	77.926316
"1106376"	372.097592	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2K+H"	78.933592
"1346043"	372.185207	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+DMSO+H"	79.021207
"1012385"	376.224376	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2ACN+H"	83.060376
"1533791"	377.218008	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+IsoProp+Na+H"	84.054008
"995866"	188.615826	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+2ACN+2H"	84.067652
"1591463"	378.132628	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+K+HCOOH"	84.968628
"1420406"	408.164138	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+H+CF3COOH"	115.000138
"1153977"	209.129101	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+3ACN+2H"	125.094202
"1697209"	425.190685	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+NH4+CF3COOH"	132.026685
"1635898"	430.14608	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+Na+CF3COOH"	136.98208
"1572644"	446.12002	"C08159"	"Anastrozole"	"C17H19N5"	"293.164"	"M+K+CF3COOH"	152.95602
"815041"	430.061	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M"	0
"987483"	411.04261	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-H2O-H"	-19.01839
"70262"	285.700057333333	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M-3H"	-3.021828
"504353"	429.053724	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M-3H"	-3.021828
"886529"	142.346390666667	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-3H"	-3.021828
"2916"	429.053724	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M-2H"	-2.014552
"447944"	644.084224	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M-2H"	-2.014552
"825745"	214.023224	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-2H"	-2.014552
"81360"	859.114724	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M-H"	-1.007276
"528580"	1289.175724	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M-H"	-1.007276
"899822"	429.053724	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-H"	-1.007276
"59545"	876.141271	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M-2H+NH4"	16.019271
"499227"	1306.202271	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M-2H+NH4"	16.019271
"876667"	446.080271	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-2H+NH4"	16.019271
"35089"	881.096666	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M-2H+Na"	20.974666
"472462"	1311.157666	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M-2H+Na"	20.974666
"850264"	451.035666	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-2H+Na"	20.974666
"1629642"	451.035666	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Na-2H"	20.974666
"103982"	447.042063	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M-H+Cl"	33.962126
"541356"	662.072563	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M-H+Cl"	33.962126
"933777"	232.011563	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-H+Cl"	33.962126
"277803"	895.091402	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+Cl"	34.969402
"672414"	1325.152402	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+Cl"	34.969402
"1282631"	465.030402	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Cl"	34.969402
"26280"	897.070606	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M-2H+K"	36.948606
"463656"	1327.131606	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M-2H+K"	36.948606
"839635"	467.009606	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-2H+K"	36.948606
"1563854"	467.009606	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+K-2H"	36.948606
"949184"	475.059194	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-H+HCOOH"	44.998194
"367400"	905.120201	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+HCOOH-H"	44.998201
"353835"	919.135851	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+Hac-H"	59.013851
"1503757"	489.074851	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Hac-H"	59.013851
"969112"	497.041151	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-H+NaCOOH"	66.980151
"115832"	465.030402	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+2Cl"	69.938804
"555393"	680.060902	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+2Cl"	69.938804
"1025649"	249.999902	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2Cl"	69.938804
"1245958"	508.979885	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Br"	78.918885
"1310594"	511.035872	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Cl+HCOOH"	80.974872
"1324081"	533.017829	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Cl+NaCOOH"	102.956829
"912952"	543.046586	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M-H+CF3COOH"	112.985586
"1291484"	579.023264	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Cl+CF3COOH"	148.962264
"1374023"	395.048324	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H-2H2O"	-35.012676
"1392613"	413.0583	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H-H2O"	-17.0027
"285737"	861.129276	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+H"	1.007276
"677550"	1291.190276	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+H"	1.007276
"1358882"	431.068276	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H"	1.007276
"131772"	431.068276	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+2H"	2.014552
"568055"	646.098776	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+2H"	2.014552
"1038312"	216.037776	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2H"	2.014552
"206212"	287.714609333333	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+3H"	3.021828
"647594"	431.068276	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+3H"	3.021828
"1171187"	144.360942666667	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+3H"	3.021828
"430086"	878.155823	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+NH4"	18.033823
"794363"	1308.216823	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+NH4"	18.033823
"1685226"	448.094823	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+NH4"	18.033823
"344449"	439.5815495	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+H+NH4"	19.041099
"736871"	654.6120495	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+H+NH4"	19.041099
"1489598"	224.5510495	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H+NH4"	19.041099
"402808"	883.111218	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+Na"	22.989218
"764897"	1313.172218	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+Na"	22.989218
"1611904"	453.050218	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Na"	22.989218
"320850"	442.059247	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+H+Na"	23.996494
"716553"	657.089747	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+H+Na"	23.996494
"1475600"	227.028747	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H+Na"	23.996494
"1061433"	151.688256666667	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2H+Na"	25.00377
"1269672"	463.094486	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+CH3OH+H"	33.033486
"390436"	899.085158	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+K"	38.963158
"750336"	1329.146158	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+K"	38.963158
"1550204"	469.024158	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+K"	38.963158
"300087"	450.046217	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+H+K"	39.970434
"694332"	665.076717	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+H+K"	39.970434
"1447788"	235.015717	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H+K"	39.970434
"238212"	902.155826	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+ACN+H"	42.033826
"1214560"	472.094826	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+ACN+H"	42.033826
"1198444"	236.551051	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+ACN+2H"	43.041102
"191315"	905.09316	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+2Na-H"	44.97116
"630512"	1335.15416	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+2Na-H"	44.97116
"1133651"	475.03216	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2Na-H"	44.97116
"175848"	453.050218	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+2Na"	45.978436
"614315"	668.080718	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+2Na"	45.978436
"1117093"	238.019718	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2Na"	45.978436
"1400987"	159.015570666667	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H+2Na"	46.985712
"1432373"	477.073746	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H+HCOOH"	47.012746
"227535"	458.08324	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+3H2O+2H"	56.04448
"1510130"	491.12579	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+IsoProp+H"	61.06479
"410545"	461.037188	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+Na+K"	61.952376
"771905"	676.067688	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+Na+K"	61.952376
"1670418"	246.006688	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Na+K"	61.952376
"257305"	924.137768	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+ACN+Na"	64.015768
"1231851"	494.076768	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+ACN+Na"	64.015768
"1718552"	494.100293	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+NH4+HCOOH"	64.039293
"1185001"	166.342884666667	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+3Na"	68.967654
"1660362"	499.055688	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Na+HCOOH"	68.994688
"159202"	937.04104	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+2K-H"	76.91904
"605691"	1367.10204	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+2K-H"	76.91904
"1090203"	506.98004	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2K-H"	76.91904
"149208"	469.024158	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"2M+2K"	77.926316
"585485"	684.054658	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"3M+2K"	77.926316
"1076558"	253.993658	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2K"	77.926316
"1106487"	508.994592	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2K+H"	78.933592
"1345059"	509.082207	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+DMSO+H"	79.021207
"1011402"	513.121376	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2ACN+H"	83.060376
"1533900"	514.115008	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+IsoProp+Na+H"	84.054008
"997069"	257.064326	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+2ACN+2H"	84.067652
"1589386"	515.029628	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+K+HCOOH"	84.968628
"1421609"	545.061138	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+H+CF3COOH"	115.000138
"1155180"	277.577601	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+3ACN+2H"	125.094202
"1698170"	562.087685	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+NH4+CF3COOH"	132.026685
"1636008"	567.04308	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+Na+CF3COOH"	136.98208
"1572025"	583.01702	"C08160"	"Bicalutamide"	"C18H14F4N2O4S"	"430.061"	"M+K+CF3COOH"	152.95602
"816246"	597.2129	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M"	0
"989053"	578.19451	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-H2O-H"	-19.01839
"74746"	397.134657333333	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M-3H"	-3.021828
"512117"	596.205624	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M-3H"	-3.021828
"889919"	198.063690666667	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-3H"	-3.021828
"7400"	596.205624	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M-2H"	-2.014552
"446960"	894.812074	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M-2H"	-2.014552
"829135"	297.599174	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-2H"	-2.014552
"81473"	1193.418524	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M-H"	-1.007276
"526502"	1790.631424	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M-H"	-1.007276
"899932"	596.205624	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-H"	-1.007276
"61599"	1210.445071	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M-2H+NH4"	16.019271
"499337"	1807.657971	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M-2H+NH4"	16.019271
"876048"	613.232171	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-2H+NH4"	16.019271
"35199"	1215.400466	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M-2H+Na"	20.974666
"473665"	1812.613366	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M-2H+Na"	20.974666
"853654"	618.187566	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-2H+Na"	20.974666
"1631939"	618.187566	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Na-2H"	20.974666
"107372"	614.193963	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M-H+Cl"	33.962126
"541464"	912.800413	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M-H+Cl"	33.962126
"940083"	315.587513	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-H+Cl"	33.962126
"279006"	1229.395202	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+Cl"	34.969402
"673253"	1826.608102	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+Cl"	34.969402
"1284563"	632.182302	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Cl"	34.969402
"26390"	1231.374406	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M-2H+K"	36.948606
"465952"	1828.587306	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M-2H+K"	36.948606
"840839"	634.161506	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-2H+K"	36.948606
"1566150"	634.161506	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+K-2H"	36.948606
"952212"	642.211094	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-H+HCOOH"	44.998194
"370061"	1239.424001	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+HCOOH-H"	44.998201
"353946"	1253.439651	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+Hac-H"	59.013851
"1503869"	656.226751	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Hac-H"	59.013851
"969226"	664.193051	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-H+NaCOOH"	66.980151
"119224"	632.182302	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+2Cl"	69.938804
"558783"	930.788752	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+2Cl"	69.938804
"1027582"	333.575852	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2Cl"	69.938804
"1248255"	676.131785	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Br"	78.918885
"1310704"	678.187772	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Cl+HCOOH"	80.974872
"1327107"	700.169729	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Cl+NaCOOH"	102.956829
"916343"	710.198486	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M-H+CF3COOH"	112.985586
"1293782"	746.175164	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Cl+CF3COOH"	148.962264
"1373040"	562.200224	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H-2H2O"	-35.012676
"1390538"	580.2102	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H-H2O"	-17.0027
"288035"	1195.433076	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+H"	1.007276
"683737"	1792.645976	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+H"	1.007276
"1355712"	598.220176	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H"	1.007276
"131882"	598.220176	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+2H"	2.014552
"568526"	896.826626	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+2H"	2.014552
"1038176"	299.613726	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2H"	2.014552
"205226"	399.149209333333	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+3H"	3.021828
"647706"	598.220176	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+3H"	3.021828
"1165831"	200.078242666667	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+3H"	3.021828
"429105"	1212.459623	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+NH4"	18.033823
"792289"	1809.672523	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+NH4"	18.033823
"1687525"	615.246723	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+NH4"	18.033823
"344924"	606.7334495	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+H+NH4"	19.041099
"737876"	905.3398995	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+H+NH4"	19.041099
"1492642"	308.1269995	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H+NH4"	19.041099
"402921"	1217.415018	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+Na"	22.989218
"765010"	1814.627918	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+Na"	22.989218
"1614201"	620.202118	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Na"	22.989218
"326064"	609.211147	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+H+Na"	23.996494
"722145"	907.817597	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+H+Na"	23.996494
"1476571"	310.604697	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H+Na"	23.996494
"1065917"	207.405556666667	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2H+Na"	25.00377
"1272709"	630.246386	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+CH3OH+H"	33.033486
"392333"	1233.388958	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+K"	38.963158
"754066"	1830.601858	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+K"	38.963158
"1555266"	636.176058	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+K"	38.963158
"308584"	617.198117	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+H+K"	39.970434
"701003"	915.804567	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+H+K"	39.970434
"1449356"	318.591667	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H+K"	39.970434
"240145"	1236.459626	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+ACN+H"	42.033826
"1213943"	639.246726	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+ACN+H"	42.033826
"1197098"	320.127001	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+ACN+2H"	43.041102
"190696"	1239.39696	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+2Na-H"	44.97116
"630621"	1836.60986	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+2Na-H"	44.97116
"1134130"	642.18406	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2Na-H"	44.97116
"174502"	620.202118	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+2Na"	45.978436
"614916"	918.808568	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+2Na"	45.978436
"1117328"	321.595668	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2Na"	45.978436
"1400370"	214.732870666667	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H+2Na"	46.985712
"1430412"	644.225646	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H+HCOOH"	47.012746
"220841"	625.23514	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+3H2O+2H"	56.04448
"1509875"	658.27769	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+IsoProp+H"	61.06479
"409927"	628.189088	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+Na+K"	61.952376
"773838"	926.795538	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+Na+K"	61.952376
"1667250"	329.582638	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Na+K"	61.952376
"254500"	1258.441568	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+ACN+Na"	64.015768
"1229046"	661.228668	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+ACN+Na"	64.015768
"1717569"	661.252193	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+NH4+HCOOH"	64.039293
"1181831"	222.060184666667	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+3Na"	68.967654
"1660472"	666.207588	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Na+HCOOH"	68.994688
"161866"	1271.34484	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+2K-H"	76.91904
"606894"	1868.55774	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+2K-H"	76.91904
"1089220"	674.13194	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2K-H"	76.91904
"148225"	636.176058	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"2M+2K"	77.926316
"584502"	934.782508	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"3M+2K"	77.926316
"1077763"	337.569608	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2K"	77.926316
"1104410"	676.146492	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2K+H"	78.933592
"1344076"	676.234107	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+DMSO+H"	79.021207
"1009326"	680.273276	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2ACN+H"	83.060376
"1532917"	681.266908	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+IsoProp+Na+H"	84.054008
"997178"	340.640276	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+2ACN+2H"	84.067652
"1590589"	682.181528	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+K+HCOOH"	84.968628
"1419531"	712.213038	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+H+CF3COOH"	115.000138
"1150184"	361.153551	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+3ACN+2H"	125.094202
"1701560"	729.239585	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+NH4+CF3COOH"	132.026685
"1636118"	734.19498	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+Na+CF3COOH"	136.98208
"1572864"	750.16892	"C08161"	"Clomiphene citrate;Clomifene citrate"	"C26H28ClNOC6H8O7"	"597.2129"	"M+K+CF3COOH"	152.95602
"814901"	296.1776	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M"	0
"988435"	277.15921	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-H2O-H"	-19.01839
"72668"	196.444457333333	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M-3H"	-3.021828
"502948"	295.170324	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M-3H"	-3.021828
"884563"	97.7185906666667	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-3H"	-3.021828
"4228"	295.170324	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M-2H"	-2.014552
"444884"	443.259124	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M-2H"	-2.014552
"827058"	147.081524	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-2H"	-2.014552
"81217"	591.347924	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M-H"	-1.007276
"526612"	887.525524	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M-H"	-1.007276
"900042"	295.170324	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-H"	-1.007276
"59886"	608.374471	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M-2H+NH4"	16.019271
"492886"	904.552071	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M-2H+NH4"	16.019271
"876523"	312.196871	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-2H+NH4"	16.019271
"35309"	613.329866	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M-2H+Na"	20.974666
"475962"	909.507466	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M-2H+Na"	20.974666
"857045"	317.152266	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-2H+Na"	20.974666
"1630956"	317.152266	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Na-2H"	20.974666
"104202"	313.158663	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M-H+Cl"	33.962126
"541576"	461.247463	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M-H+Cl"	33.962126
"939830"	165.069863	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-H+Cl"	33.962126
"278023"	627.324602	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+Cl"	34.969402
"671175"	923.502202	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+Cl"	34.969402
"1282851"	331.147002	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Cl"	34.969402
"23587"	629.303806	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M-2H+K"	36.948606
"467158"	925.481406	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M-2H+K"	36.948606
"844959"	333.126206	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-2H+K"	36.948606
"1566259"	333.126206	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+K-2H"	36.948606
"954143"	341.175794	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-H+HCOOH"	44.998194
"372360"	637.353401	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+HCOOH-H"	44.998201
"354056"	651.369051	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+Hac-H"	59.013851
"1503979"	355.191451	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Hac-H"	59.013851
"967150"	363.157751	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-H+NaCOOH"	66.980151
"119336"	331.147002	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+2Cl"	69.938804
"558895"	479.235802	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+2Cl"	69.938804
"1030974"	183.058202	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2Cl"	69.938804
"1247272"	375.096485	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Br"	78.918885
"1313004"	377.152472	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Cl+HCOOH"	80.974872
"1330501"	399.134429	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Cl+NaCOOH"	102.956829
"918280"	409.163186	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M-H+CF3COOH"	112.985586
"1298271"	445.139864	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Cl+CF3COOH"	148.962264
"1377527"	261.164924	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H-2H2O"	-35.012676
"1390648"	279.1749	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H-H2O"	-17.0027
"290334"	593.362476	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+H"	1.007276
"682755"	889.540076	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+H"	1.007276
"1358011"	297.184876	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H"	1.007276
"127985"	297.184876	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+2H"	2.014552
"567544"	445.273676	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+2H"	2.014552
"1041449"	149.096076	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2H"	2.014552
"206067"	198.459009333333	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+3H"	3.021828
"645264"	297.184876	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+3H"	3.021828
"1164850"	99.7331426666667	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+3H"	3.021828
"430309"	610.389023	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+NH4"	18.033823
"788386"	906.566623	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+NH4"	18.033823
"1686542"	314.211423	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+NH4"	18.033823
"342481"	305.6981495	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+H+NH4"	19.041099
"737090"	453.7869495	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+H+NH4"	19.041099
"1492208"	157.6093495	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H+NH4"	19.041099
"407771"	615.344418	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+Na"	22.989218
"767306"	911.522018	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+Na"	22.989218
"1616498"	319.166818	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Na"	22.989218
"327997"	308.175847	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+H+Na"	23.996494
"722622"	456.264647	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+H+Na"	23.996494
"1476844"	160.087047	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H+Na"	23.996494
"1068419"	107.060456666667	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2H+Na"	25.00377
"1272534"	329.211086	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+CH3OH+H"	33.033486
"392121"	631.318358	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+K"	38.963158
"753886"	927.495958	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+K"	38.963158
"1555167"	335.140758	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+K"	38.963158
"306507"	316.162817	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+H+K"	39.970434
"696739"	464.251617	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+H+K"	39.970434
"1449467"	168.074017	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H+K"	39.970434
"237341"	634.389026	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+ACN+H"	42.033826
"1211869"	338.211426	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+ACN+H"	42.033826
"1195389"	169.609351	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+ACN+2H"	43.041102
"190321"	637.32636	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+2Na-H"	44.97116
"630246"	933.50396	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+2Na-H"	44.97116
"1132292"	341.14876	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2Na-H"	44.97116
"173636"	319.166818	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+2Na"	45.978436
"613686"	467.255618	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+2Na"	45.978436
"1116343"	171.078018	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2Na"	45.978436
"1399751"	114.387770666667	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H+2Na"	46.985712
"1429964"	343.190346	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H+HCOOH"	47.012746
"221194"	324.19984	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+3H2O+2H"	56.04448
"1509987"	357.24239	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+IsoProp+H"	61.06479
"413319"	327.153788	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+Na+K"	61.952376
"772128"	475.242588	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+Na+K"	61.952376
"1666997"	179.064988	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Na+K"	61.952376
"252785"	656.370968	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+ACN+Na"	64.015768
"1226476"	360.193368	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+ACN+Na"	64.015768
"1719866"	360.216893	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+NH4+HCOOH"	64.039293
"1187408"	121.715084666667	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+3Na"	68.967654
"1655114"	365.172288	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Na+HCOOH"	68.994688
"170724"	669.27424	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+2K-H"	76.91904
"603723"	965.45184	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+2K-H"	76.91904
"1089330"	373.09664	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2K-H"	76.91904
"149428"	335.140758	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"2M+2K"	77.926316
"584612"	483.229558	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"3M+2K"	77.926316
"1074591"	187.051958	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2K"	77.926316
"1104520"	375.111192	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2K+H"	78.933592
"1343093"	375.198807	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+DMSO+H"	79.021207
"1012715"	379.237976	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2ACN+H"	83.060376
"1535215"	380.231608	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+IsoProp+Na+H"	84.054008
"999475"	190.122626	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+2ACN+2H"	84.067652
"1592886"	381.146228	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+K+HCOOH"	84.968628
"1416362"	411.177738	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+H+CF3COOH"	115.000138
"1153212"	210.635901	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+3ACN+2H"	125.094202
"1698390"	428.204285	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+NH4+CF3COOH"	132.026685
"1636228"	433.15968	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+Na+CF3COOH"	136.98208
"1572974"	449.13362	"C08162"	"Exemestane"	"C20H24O2"	"296.1776"	"M+K+CF3COOH"	152.95602
"813188"	285.1014	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M"	0
"986719"	266.08301	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-H2O-H"	-19.01839
"70592"	189.060324	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M-3H"	-3.021828
"503589"	284.094124	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M-3H"	-3.021828
"880019"	94.026524	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-3H"	-3.021828
"451"	284.094124	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M-2H"	-2.014552
"442807"	426.644824	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M-2H"	-2.014552
"828263"	141.543424	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-2H"	-2.014552
"87161"	569.195524	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M-H"	-1.007276
"520888"	854.296924	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M-H"	-1.007276
"900152"	284.094124	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-H"	-1.007276
"58901"	586.222071	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M-2H+NH4"	16.019271
"491903"	871.323471	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M-2H+NH4"	16.019271
"876269"	301.120671	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-2H+NH4"	16.019271
"35419"	591.177466	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M-2H+Na"	20.974666
"476072"	876.278866	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M-2H+Na"	20.974666
"853875"	306.076066	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-2H+Na"	20.974666
"1629972"	306.076066	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Na-2H"	20.974666
"104312"	302.082463	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M-H+Cl"	33.962126
"541686"	444.633163	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M-H+Cl"	33.962126
"937387"	159.531763	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-H+Cl"	33.962126
"280323"	605.172202	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+Cl"	34.969402
"671649"	890.273602	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+Cl"	34.969402
"1280774"	320.070802	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Cl"	34.969402
"23333"	607.151406	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M-2H+K"	36.948606
"467266"	892.252806	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M-2H+K"	36.948606
"845069"	322.050006	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-2H+K"	36.948606
"1566369"	322.050006	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+K-2H"	36.948606
"954254"	330.099594	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-H+HCOOH"	44.998194
"375389"	615.201001	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+HCOOH-H"	44.998201
"358907"	629.216651	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+Hac-H"	59.013851
"1502998"	344.115251	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Hac-H"	59.013851
"968353"	352.081551	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-H+NaCOOH"	66.980151
"117262"	320.070802	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+2Cl"	69.938804
"563018"	462.621502	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+2Cl"	69.938804
"1031088"	177.520102	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2Cl"	69.938804
"1249569"	364.020285	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Br"	78.918885
"1312021"	366.076272	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Cl+HCOOH"	80.974872
"1329517"	388.058229	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Cl+NaCOOH"	102.956829
"919483"	398.086986	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M-H+CF3COOH"	112.985586
"1300568"	434.063664	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Cl+CF3COOH"	148.962264
"1379822"	250.088724	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H-2H2O"	-35.012676
"1391852"	268.0987	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H-H2O"	-17.0027
"292997"	571.210076	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+H"	1.007276
"685052"	856.311476	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+H"	1.007276
"1358121"	286.108676	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H"	1.007276
"128094"	286.108676	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+2H"	2.014552
"566562"	428.659376	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+2H"	2.014552
"1037156"	143.557976	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2H"	2.014552
"205448"	191.074876	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+3H"	3.021828
"644481"	286.108676	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+3H"	3.021828
"1164960"	96.041076	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+3H"	3.021828
"429326"	588.236623	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+NH4"	18.033823
"788132"	873.338023	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+NH4"	18.033823
"1684465"	303.135223	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+NH4"	18.033823
"339309"	294.6219495	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+H+NH4"	19.041099
"735741"	437.1726495	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+H+NH4"	19.041099
"1487738"	152.0712495	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H+NH4"	19.041099
"406418"	593.192018	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+Na"	22.989218
"767053"	878.293418	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+Na"	22.989218
"1615881"	308.090618	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Na"	22.989218
"326649"	297.099647	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+H+Na"	23.996494
"722794"	439.650347	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+H+Na"	23.996494
"1476830"	154.548947	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H+Na"	23.996494
"1068363"	103.36839	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2H+Na"	25.00377
"1272437"	318.134886	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+CH3OH+H"	33.033486
"391864"	609.165958	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+K"	38.963158
"753833"	894.267358	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+K"	38.963158
"1554913"	324.064558	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+K"	38.963158
"314111"	305.086617	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+H+K"	39.970434
"705239"	447.637317	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+H+K"	39.970434
"1449576"	162.535917	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H+K"	39.970434
"239270"	612.236626	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+ACN+H"	42.033826
"1212342"	327.135226	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+ACN+H"	42.033826
"1196958"	164.071251	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+ACN+2H"	43.041102
"190190"	615.17396	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+2Na-H"	44.97116
"629748"	900.27536	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+2Na-H"	44.97116
"1133860"	330.07256	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2Na-H"	44.97116
"173303"	308.090618	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+2Na"	45.978436
"613554"	450.641318	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+2Na"	45.978436
"1117427"	165.539918	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2Na"	45.978436
"1398682"	110.695704	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H+2Na"	46.985712
"1430182"	332.114146	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H+HCOOH"	47.012746
"221672"	313.12364	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+3H2O+2H"	56.04448
"1509004"	346.16619	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+IsoProp+H"	61.06479
"409783"	316.077588	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+Na+K"	61.952376
"773331"	458.628288	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+Na+K"	61.952376
"1667103"	173.526888	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Na+K"	61.952376
"252530"	634.218568	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+ACN+Na"	64.015768
"1231088"	349.117168	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+ACN+Na"	64.015768
"1718884"	349.140693	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+NH4+HCOOH"	64.039293
"1184236"	118.023018	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+3Na"	68.967654
"1662879"	354.096088	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Na+HCOOH"	68.994688
"169741"	647.12184	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+2K-H"	76.91904
"600553"	932.22324	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+2K-H"	76.91904
"1090533"	362.02044	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2K-H"	76.91904
"144071"	324.064558	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"2M+2K"	77.926316
"584722"	466.615258	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"3M+2K"	77.926316
"1073609"	181.513858	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2K"	77.926316
"1106818"	364.034992	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2K+H"	78.933592
"1345391"	364.122607	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+DMSO+H"	79.021207
"1011732"	368.161776	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2ACN+H"	83.060376
"1532043"	369.155408	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+IsoProp+Na+H"	84.054008
"993027"	184.584526	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+2ACN+2H"	84.067652
"1589718"	370.070028	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+K+HCOOH"	84.968628
"1419753"	400.101538	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+H+CF3COOH"	115.000138
"1155511"	205.097801	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+3ACN+2H"	125.094202
"1698500"	417.128085	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+NH4+CF3COOH"	132.026685
"1643994"	422.08348	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+Na+CF3COOH"	136.98208
"1572353"	438.05742	"C08163"	"Letrozole"	"C17H11N5"	"285.1014"	"M+K+CF3COOH"	152.95602
"813663"	317.0623	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M"	0
"988287"	298.04391	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-H2O-H"	-19.01839
"70702"	210.367590666667	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M-3H"	-3.021828
"504792"	316.055024	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M-3H"	-3.021828
"880448"	104.680157333333	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-3H"	-3.021828
"2262"	316.055024	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M-2H"	-2.014552
"442917"	474.586174	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M-2H"	-2.014552
"829467"	157.523874	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-2H"	-2.014552
"90551"	633.117324	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M-H"	-1.007276
"521363"	950.179624	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M-H"	-1.007276
"900262"	316.055024	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-H"	-1.007276
"52451"	650.143871	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M-2H+NH4"	16.019271
"492013"	967.206171	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M-2H+NH4"	16.019271
"870911"	333.081571	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-2H+NH4"	16.019271
"33342"	655.099266	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M-2H+Na"	20.974666
"473023"	972.161566	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M-2H+Na"	20.974666
"849611"	338.036966	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-2H+Na"	20.974666
"1629718"	338.036966	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Na-2H"	20.974666
"104422"	334.043363	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M-H+Cl"	33.962126
"541796"	492.574513	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M-H+Cl"	33.962126
"935310"	175.512213	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-H+Cl"	33.962126
"280070"	669.094002	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+Cl"	34.969402
"671029"	986.156302	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+Cl"	34.969402
"1282704"	352.031702	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Cl"	34.969402
"23442"	671.073206	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M-2H+K"	36.948606
"464094"	988.135506	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M-2H+K"	36.948606
"842990"	354.010906	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-2H+K"	36.948606
"1566479"	354.010906	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+K-2H"	36.948606
"953269"	362.060494	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-H+HCOOH"	44.998194
"370392"	679.122801	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+HCOOH-H"	44.998201
"357554"	693.138451	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+Hac-H"	59.013851
"1506020"	376.076151	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Hac-H"	59.013851
"967370"	384.042451	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-H+NaCOOH"	66.980151
"120648"	352.031702	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+2Cl"	69.938804
"558024"	510.562852	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+2Cl"	69.938804
"1032289"	193.500552	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2Cl"	69.938804
"1246398"	395.981185	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Br"	78.918885
"1307754"	398.037172	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Cl+HCOOH"	80.974872
"1329625"	420.019129	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Cl+NaCOOH"	102.956829
"921778"	430.047886	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M-H+CF3COOH"	112.985586
"1295208"	466.024564	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Cl+CF3COOH"	148.962264
"1377746"	282.049624	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H-2H2O"	-35.012676
"1393055"	300.0596	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H-H2O"	-17.0027
"293471"	635.131876	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+H"	1.007276
"685162"	952.194176	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+H"	1.007276
"1361147"	318.069576	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H"	1.007276
"128204"	318.069576	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+2H"	2.014552
"567401"	476.600726	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+2H"	2.014552
"1038022"	159.538426	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2H"	2.014552
"205435"	212.382142666667	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+3H"	3.021828
"645238"	318.069576	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+3H"	3.021828
"1166163"	106.694709333333	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+3H"	3.021828
"428343"	652.158423	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+NH4"	18.033823
"789335"	969.220723	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+NH4"	18.033823
"1686761"	335.096123	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+NH4"	18.033823
"339419"	326.5828495	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+H+NH4"	19.041099
"731841"	485.1139995	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+H+NH4"	19.041099
"1487848"	168.0516995	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H+NH4"	19.041099
"404341"	657.113818	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+Na"	22.989218
"768746"	974.176118	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+Na"	22.989218
"1616357"	340.051518	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Na"	22.989218
"327853"	329.060547	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+H+Na"	23.996494
"721129"	487.591697	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+H+Na"	23.996494
"1476774"	170.529397	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H+Na"	23.996494
"1067223"	114.022023333333	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2H+Na"	25.00377
"1272509"	350.095786	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+CH3OH+H"	33.033486
"391854"	673.087758	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+K"	38.963158
"753576"	990.150058	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+K"	38.963158
"1554903"	356.025458	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+K"	38.963158
"313169"	337.047517	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+H+K"	39.970434
"703528"	495.578667	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+H+K"	39.970434
"1449687"	178.516367	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H+K"	39.970434
"238289"	676.158426	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+ACN+H"	42.033826
"1212088"	359.096126	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+ACN+H"	42.033826
"1198161"	180.051701	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+ACN+2H"	43.041102
"189450"	679.09576	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+2Na-H"	44.97116
"630343"	996.15806	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+2Na-H"	44.97116
"1134093"	362.03346	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2Na-H"	44.97116
"174225"	340.051518	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+2Na"	45.978436
"616948"	498.582668	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+2Na"	45.978436
"1117174"	181.520368	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2Na"	45.978436
"1402887"	121.349337333333	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H+2Na"	46.985712
"1430212"	364.075046	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H+HCOOH"	47.012746
"221046"	345.08454	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+3H2O+2H"	56.04448
"1509964"	378.12709	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+IsoProp+H"	61.06479
"409407"	348.038488	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+Na+K"	61.952376
"771246"	506.569638	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+Na+K"	61.952376
"1666851"	189.507338	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Na+K"	61.952376
"252525"	698.140368	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+ACN+Na"	64.015768
"1230105"	381.078068	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+ACN+Na"	64.015768
"1721181"	381.101593	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+NH4+HCOOH"	64.039293
"1183254"	128.676651333333	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+3Na"	68.967654
"1660802"	386.056988	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Na+HCOOH"	68.994688
"170944"	711.04364	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+2K-H"	76.91904
"606130"	1028.10594	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+2K-H"	76.91904
"1089550"	393.98134	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2K-H"	76.91904
"145274"	356.025458	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"2M+2K"	77.926316
"588113"	514.556608	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"3M+2K"	77.926316
"1077000"	197.494308	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2K"	77.926316
"1110209"	395.995892	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2K+H"	78.933592
"1348781"	396.083507	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+DMSO+H"	79.021207
"1014029"	400.122676	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2ACN+H"	83.060376
"1533248"	401.116308	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+IsoProp+Na+H"	84.054008
"994230"	200.564976	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+2ACN+2H"	84.067652
"1592015"	402.030928	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+K+HCOOH"	84.968628
"1419863"	432.062438	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+H+CF3COOH"	115.000138
"1154527"	221.078251	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+3ACN+2H"	125.094202
"1698610"	449.088985	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+NH4+CF3COOH"	132.026685
"1644104"	454.04438	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+Na+CF3COOH"	136.98208
"1573192"	470.01832	"C08164"	"Nilutamide"	"C12H10F3N3O4"	"317.0623"	"M+K+CF3COOH"	152.95602
"815594"	405.1859	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M"	0
"988883"	386.16751	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-H2O-H"	-19.01839
"71905"	269.116657333333	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M-3H"	-3.021828
"503810"	404.178624	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M-3H"	-3.021828
"883798"	134.054690666667	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-3H"	-3.021828
"4558"	404.178624	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M-2H"	-2.014552
"445213"	606.771574	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M-2H"	-2.014552
"830306"	201.585674	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-2H"	-2.014552
"91391"	809.364524	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M-H"	-1.007276
"523660"	1214.550424	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M-H"	-1.007276
"901465"	404.178624	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-H"	-1.007276
"52561"	826.391071	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M-2H+NH4"	16.019271
"489936"	1231.576971	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M-2H+NH4"	16.019271
"866645"	421.205171	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-2H+NH4"	16.019271
"32112"	831.346466	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M-2H+Na"	20.974666
"474103"	1236.532366	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M-2H+Na"	20.974666
"850814"	426.160566	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-2H+Na"	20.974666
"1624723"	426.160566	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Na-2H"	20.974666
"99064"	422.166963	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M-H+Cl"	33.962126
"538622"	624.759913	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M-H+Cl"	33.962126
"932140"	219.574013	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-H+Cl"	33.962126
"276166"	845.341202	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+Cl"	34.969402
"669680"	1250.527102	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+Cl"	34.969402
"1276982"	440.155302	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Cl"	34.969402
"20271"	847.320406	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M-2H+K"	36.948606
"460924"	1252.506306	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M-2H+K"	36.948606
"839820"	442.134506	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-2H+K"	36.948606
"1563309"	442.134506	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+K-2H"	36.948606
"949004"	450.184094	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-H+HCOOH"	44.998194
"369405"	855.370001	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+HCOOH-H"	44.998201
"356570"	869.385651	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+Hac-H"	59.013851
"1506494"	464.199751	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Hac-H"	59.013851
"968570"	472.166051	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-H+NaCOOH"	66.980151
"120758"	440.155302	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+2Cl"	69.938804
"559226"	642.748252	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+2Cl"	69.938804
"1031305"	237.562352	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2Cl"	69.938804
"1243955"	484.104785	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Br"	78.918885
"1306404"	486.160772	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Cl+HCOOH"	80.974872
"1327548"	508.142729	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Cl+NaCOOH"	102.956829
"922981"	518.171486	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M-H+CF3COOH"	112.985586
"1295318"	554.148164	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Cl+CF3COOH"	148.962264
"1378949"	370.173224	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H-2H2O"	-35.012676
"1394987"	388.1832	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H-H2O"	-17.0027
"292851"	811.379076	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+H"	1.007276
"681992"	1216.564976	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+H"	1.007276
"1357248"	406.193176	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H"	1.007276
"127582"	406.193176	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+2H"	2.014552
"566779"	608.786126	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+2H"	2.014552
"1037291"	203.600226	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2H"	2.014552
"207127"	271.131209333333	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+3H"	3.021828
"645957"	406.193176	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+3H"	3.021828
"1169553"	136.069242666667	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+3H"	3.021828
"431730"	828.405623	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+NH4"	18.033823
"787256"	1233.591523	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+NH4"	18.033823
"1689058"	423.219723	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+NH4"	18.033823
"339529"	414.7064495	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+H+NH4"	19.041099
"734138"	617.2993995	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+H+NH4"	19.041099
"1485771"	212.1134995	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H+NH4"	19.041099
"401171"	833.361018	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+Na"	22.989218
"769105"	1238.546918	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+Na"	22.989218
"1617930"	428.175118	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Na"	22.989218
"329182"	417.184147	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+H+Na"	23.996494
"721965"	619.777097	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+H+Na"	23.996494
"1476321"	214.591197	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H+Na"	23.996494
"1067701"	143.396556666667	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2H+Na"	25.00377
"1272096"	438.219386	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+CH3OH+H"	33.033486
"391721"	849.334958	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+K"	38.963158
"753565"	1254.520858	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+K"	38.963158
"1555131"	444.149058	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+K"	38.963158
"312550"	425.171117	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+H+K"	39.970434
"706513"	627.764067	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+H+K"	39.970434
"1450890"	222.578167	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H+K"	39.970434
"244957"	852.405626	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+ACN+H"	42.033826
"1214384"	447.219726	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+ACN+H"	42.033826
"1199363"	224.113501	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+ACN+2H"	43.041102
"190410"	855.34296	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+2Na-H"	44.97116
"631062"	1260.52886	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+2Na-H"	44.97116
"1134205"	450.15706	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2Na-H"	44.97116
"173851"	428.175118	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+2Na"	45.978436
"619245"	630.768068	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+2Na"	45.978436
"1116433"	225.582168	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2Na"	45.978436
"1404090"	150.723870666667	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H+2Na"	46.985712
"1430085"	452.198646	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H+HCOOH"	47.012746
"221522"	433.20814	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+3H2O+2H"	56.04448
"1510682"	466.25069	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+IsoProp+H"	61.06479
"409071"	436.162088	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+Na+K"	61.952376
"774640"	638.755038	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+Na+K"	61.952376
"1667691"	233.569138	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Na+K"	61.952376
"252756"	874.387568	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+ACN+Na"	64.015768
"1231308"	469.201668	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+ACN+Na"	64.015768
"1722384"	469.225193	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+NH4+HCOOH"	64.039293
"1189922"	158.051184666667	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+3Na"	68.967654
"1665043"	474.180588	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Na+HCOOH"	68.994688
"168867"	887.29084	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+2K-H"	76.91904
"609520"	1292.47674	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+2K-H"	76.91904
"1091846"	482.10494	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2K-H"	76.91904
"148664"	444.149058	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"2M+2K"	77.926316
"589316"	646.742008	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"3M+2K"	77.926316
"1080390"	241.556108	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2K"	77.926316
"1110318"	484.119492	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2K+H"	78.933592
"1345611"	484.207107	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+DMSO+H"	79.021207
"1016327"	488.246276	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2ACN+H"	83.060376
"1535546"	489.239908	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+IsoProp+Na+H"	84.054008
"996526"	244.626776	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+2ACN+2H"	84.067652
"1592125"	490.154528	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+K+HCOOH"	84.968628
"1415600"	520.186038	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+H+CF3COOH"	115.000138
"1154637"	265.140051	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+3ACN+2H"	125.094202
"1697748"	537.212585	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+NH4+CF3COOH"	132.026685
"1644214"	542.16798	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+Na+CF3COOH"	136.98208
"1573302"	558.14192	"C08166"	"Toremifene"	"C26H28ClNO"	"405.1859"	"M+K+CF3COOH"	152.95602
"802939"	351.0347	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M"	0
"985950"	332.01631	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-H2O-H"	-19.01839
"66541"	233.015857333333	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M-3H"	-3.021828
"508289"	350.027424	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M-3H"	-3.021828
"887186"	116.004290666667	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-3H"	-3.021828
"6856"	350.027424	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M-2H"	-2.014552
"449697"	525.544774	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M-2H"	-2.014552
"827498"	174.510074	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-2H"	-2.014552
"85304"	701.062124	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M-H"	-1.007276
"522676"	1052.096824	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M-H"	-1.007276
"901574"	350.027424	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-H"	-1.007276
"52670"	718.088671	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M-2H+NH4"	16.019271
"495513"	1069.123371	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M-2H+NH4"	16.019271
"874408"	367.053971	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-2H+NH4"	16.019271
"34653"	723.044066	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M-2H+Na"	20.974666
"472389"	1074.078766	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M-2H+Na"	20.974666
"850313"	372.009366	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-2H+Na"	20.974666
"1620455"	372.009366	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Na-2H"	20.974666
"98078"	368.015763	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M-H+Cl"	33.962126
"536296"	543.533113	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M-H+Cl"	33.962126
"932247"	192.498413	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-H+Cl"	33.962126
"272995"	737.038802	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+Cl"	34.969402
"662136"	1088.073502	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+Cl"	34.969402
"1276724"	386.004102	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Cl"	34.969402
"21468"	739.018006	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M-2H+K"	36.948606
"459205"	1090.052706	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M-2H+K"	36.948606
"839926"	387.983306	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-2H+K"	36.948606
"1561228"	387.983306	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+K-2H"	36.948606
"946192"	396.032894	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-H+HCOOH"	44.998194
"364404"	747.067601	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+HCOOH-H"	44.998201
"347680"	761.083251	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+Hac-H"	59.013851
"1498946"	410.048551	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Hac-H"	59.013851
"965395"	418.014851	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-H+NaCOOH"	66.980151
"118678"	386.004102	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+2Cl"	69.938804
"557147"	561.521452	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+2Cl"	69.938804
"1028492"	210.486752	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2Cl"	69.938804
"1244791"	429.953585	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Br"	78.918885
"1310886"	432.009572	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Cl+HCOOH"	80.974872
"1327654"	453.991529	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Cl+NaCOOH"	102.956829
"915430"	464.020286	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M-H+CF3COOH"	112.985586
"1289097"	499.996964	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Cl+CF3COOH"	148.962264
"1368114"	316.022024	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H-2H2O"	-35.012676
"1388892"	334.032	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H-H2O"	-17.0027
"284933"	703.076676	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+H"	1.007276
"676989"	1054.111376	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+H"	1.007276
"1352612"	352.041976	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H"	1.007276
"127321"	352.041976	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+2H"	2.014552
"566071"	527.559326	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+2H"	2.014552
"1037460"	176.524626	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2H"	2.014552
"205408"	235.030409333333	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+3H"	3.021828
"645202"	352.041976	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+3H"	3.021828
"1166372"	118.018842666667	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+3H"	3.021828
"426730"	720.103223	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+NH4"	18.033823
"789183"	1071.137923	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+NH4"	18.033823
"1685511"	369.068523	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+NH4"	18.033823
"332333"	360.5552495	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+H+NH4"	19.041099
"724387"	536.0725995	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+H+NH4"	19.041099
"1479674"	185.0378995	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H+NH4"	19.041099
"401272"	725.058618	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+Na"	22.989218
"760081"	1076.093318	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+Na"	22.989218
"1610369"	374.023918	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Na"	22.989218
"319312"	363.032947	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+H+Na"	23.996494
"720487"	538.550297	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+H+Na"	23.996494
"1474305"	187.515597	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H+Na"	23.996494
"1066458"	125.346156666667	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2H+Na"	25.00377
"1270325"	384.068186	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+CH3OH+H"	33.033486
"389993"	741.032558	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+K"	38.963158
"754034"	1092.067258	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+K"	38.963158
"1554141"	389.997858	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+K"	38.963158
"313874"	371.019917	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+H+K"	39.970434
"705563"	546.537267	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+H+K"	39.970434
"1459386"	195.502567	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H+K"	39.970434
"245070"	744.103226	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+ACN+H"	42.033826
"1222152"	393.068526	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+ACN+H"	42.033826
"1198380"	197.037901	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+ACN+2H"	43.041102
"194529"	747.04056	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+2Na-H"	44.97116
"630444"	1098.07526	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+2Na-H"	44.97116
"1133225"	396.00586	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2Na-H"	44.97116
"174449"	374.023918	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+2Na"	45.978436
"620451"	549.541268	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+2Na"	45.978436
"1118490"	198.506568	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2Na"	45.978436
"1403108"	132.673470666667	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H+2Na"	46.985712
"1438502"	398.047446	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H+HCOOH"	47.012746
"228197"	379.05694	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+3H2O+2H"	56.04448
"1515165"	412.09949	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+IsoProp+H"	61.06479
"410111"	382.010888	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+Na+K"	61.952376
"775844"	557.528238	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+Na+K"	61.952376
"1668167"	206.493538	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Na+K"	61.952376
"256507"	766.085168	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+ACN+Na"	64.015768
"1226668"	415.050468	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+ACN+Na"	64.015768
"1719205"	415.073993	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+NH4+HCOOH"	64.039293
"1186749"	140.000784666667	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+3Na"	68.967654
"1653361"	420.029388	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Na+HCOOH"	68.994688
"166784"	778.98844	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+2K-H"	76.91904
"605256"	1130.02314	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+2K-H"	76.91904
"1093045"	427.95374	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2K-H"	76.91904
"153146"	389.997858	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"2M+2K"	77.926316
"593800"	565.515208	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"3M+2K"	77.926316
"1077220"	214.480508	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2K"	77.926316
"1107148"	429.968292	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2K+H"	78.933592
"1344623"	430.055907	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+DMSO+H"	79.021207
"1012062"	434.095076	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2ACN+H"	83.060376
"1530188"	435.088708	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+IsoProp+Na+H"	84.054008
"1001010"	217.551176	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+2ACN+2H"	84.067652
"1594421"	436.003328	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+K+HCOOH"	84.968628
"1424456"	466.034838	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+H+CF3COOH"	115.000138
"1149280"	238.064451	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+3ACN+2H"	125.094202
"1707579"	483.061385	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+NH4+CF3COOH"	132.026685
"1637762"	488.01678	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+Na+CF3COOH"	136.98208
"1572318"	503.99072	"C08169"	"Meloxicam"	"C14H13N3O4S2"	"351.0347"	"M+K+CF3COOH"	152.95602
"803048"	175.9908	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M"	0
"979500"	156.97241	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-H2O-H"	-19.01839
"66652"	116.319924	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M-3H"	-3.021828
"513867"	174.983524	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M-3H"	-3.021828
"891672"	57.656324	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-3H"	-3.021828
"12435"	174.983524	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M-2H"	-2.014552
"455033"	262.978924	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M-2H"	-2.014552
"830890"	86.988124	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-2H"	-2.014552
"88695"	350.974324	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M-H"	-1.007276
"523881"	526.965124	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M-H"	-1.007276
"903871"	174.983524	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-H"	-1.007276
"54969"	368.000871	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M-2H+NH4"	16.019271
"496718"	543.991671	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M-2H+NH4"	16.019271
"872333"	192.010071	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-2H+NH4"	16.019271
"35858"	372.956266	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M-2H+Na"	20.974666
"472254"	548.947066	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M-2H+Na"	20.974666
"849569"	196.965466	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-2H+Na"	20.974666
"1619591"	196.965466	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Na-2H"	20.974666
"96120"	192.971863	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M-H+Cl"	33.962126
"536290"	280.967263	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M-H+Cl"	33.962126
"929445"	104.976463	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-H+Cl"	33.962126
"274199"	386.951002	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+Cl"	34.969402
"661880"	562.941802	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+Cl"	34.969402
"1275253"	210.960202	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Cl"	34.969402
"18663"	388.930206	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M-2H+K"	36.948606
"459315"	564.921006	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M-2H+K"	36.948606
"837120"	212.939406	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-2H+K"	36.948606
"1563526"	212.939406	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+K-2H"	36.948606
"948125"	220.988994	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-H+HCOOH"	44.998194
"362690"	396.979801	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+HCOOH-H"	44.998201
"350221"	410.995451	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+Hac-H"	59.013851
"1498330"	235.004651	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Hac-H"	59.013851
"966600"	242.970951	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-H+NaCOOH"	66.980151
"118787"	210.960202	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+2Cl"	69.938804
"559443"	298.955602	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+2Cl"	69.938804
"1031519"	122.964802	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2Cl"	69.938804
"1245266"	254.909685	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Br"	78.918885
"1309173"	256.965672	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Cl+HCOOH"	80.974872
"1325576"	278.947629	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Cl+NaCOOH"	102.956829
"912016"	288.976386	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M-H+CF3COOH"	112.985586
"1288716"	324.953064	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Cl+CF3COOH"	148.962264
"1368224"	140.978124	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H-2H2O"	-35.012676
"1386814"	158.9881	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H-H2O"	-17.0027
"284678"	352.988876	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+H"	1.007276
"676976"	528.979676	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+H"	1.007276
"1353450"	176.998076	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H"	1.007276
"126580"	176.998076	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+2H"	2.014552
"565759"	264.993476	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+2H"	2.014552
"1037978"	89.002676	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2H"	2.014552
"205760"	118.334476	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+3H"	3.021828
"644706"	176.998076	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+3H"	3.021828
"1165389"	59.670876	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+3H"	3.021828
"426106"	370.015423	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+NH4"	18.033823
"789291"	546.006223	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+NH4"	18.033823
"1685257"	194.024623	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+NH4"	18.033823
"330982"	185.5113495	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+H+NH4"	19.041099
"724498"	273.5067495	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+H+NH4"	19.041099
"1477117"	97.5159495	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H+NH4"	19.041099
"401382"	374.970818	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+Na"	22.989218
"758004"	550.961618	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+Na"	22.989218
"1609385"	198.980018	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Na"	22.989218
"320515"	187.989047	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+H+Na"	23.996494
"720597"	275.984447	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+H+Na"	23.996494
"1474415"	99.993647	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H+Na"	23.996494
"1068436"	66.99819	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2H+Na"	25.00377
"1270435"	209.024286	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+CH3OH+H"	33.033486
"390103"	390.944758	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+K"	38.963158
"753779"	566.935558	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+K"	38.963158
"1554979"	214.953958	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+K"	38.963158
"312524"	195.976017	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+H+K"	39.970434
"704942"	283.971417	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+H+K"	39.970434
"1459736"	107.980617	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H+K"	39.970434
"240806"	394.015426	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+ACN+H"	42.033826
"1217888"	218.024626	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+ACN+H"	42.033826
"1197399"	109.515951	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+ACN+2H"	43.041102
"189413"	396.95276	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+2Na-H"	44.97116
"632016"	572.94356	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+2Na-H"	44.97116
"1135522"	220.96196	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2Na-H"	44.97116
"175533"	198.980018	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+2Na"	45.978436
"618375"	286.975418	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+2Na"	45.978436
"1119694"	110.984618	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2Na"	45.978436
"1402124"	74.325504	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H+2Na"	46.985712
"1435332"	223.003546	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H+HCOOH"	47.012746
"228307"	204.01304	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+3H2O+2H"	56.04448
"1517462"	237.05559	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+IsoProp+H"	61.06479
"411314"	206.966988	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+Na+K"	61.952376
"774861"	294.962388	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+Na+K"	61.952376
"1667912"	118.971588	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Na+K"	61.952376
"254431"	415.997368	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+ACN+Na"	64.015768
"1230061"	240.006568	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+ACN+Na"	64.015768
"1719315"	240.030093	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+NH4+HCOOH"	64.039293
"1183579"	81.652818	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+3Na"	68.967654
"1653471"	244.985488	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Na+HCOOH"	68.994688
"166894"	428.90064	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+2K-H"	76.91904
"605366"	604.89144	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+2K-H"	76.91904
"1095346"	252.90984	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2K-H"	76.91904
"156174"	214.953958	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"2M+2K"	77.926316
"595004"	302.949358	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"3M+2K"	77.926316
"1080610"	126.958558	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2K"	77.926316
"1107259"	254.924392	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2K+H"	78.933592
"1343643"	255.012007	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+DMSO+H"	79.021207
"1016548"	259.051176	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2ACN+H"	83.060376
"1533581"	260.044808	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+IsoProp+Na+H"	84.054008
"1000027"	130.029226	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+2ACN+2H"	84.067652
"1596721"	260.959428	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+K+HCOOH"	84.968628
"1422380"	290.990938	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+H+CF3COOH"	115.000138
"1154857"	150.542501	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+3ACN+2H"	125.094202
"1710605"	308.017485	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+NH4+CF3COOH"	132.026685
"1636777"	312.97288	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+Na+CF3COOH"	136.98208
"1572430"	328.94682	"C08171"	"Sodium thiosalicylate;2-Mercapto-benzoic acid monosodium salt"	"C7H5O2SNa"	"175.9908"	"M+K+CF3COOH"	152.95602
"801822"	402.2042	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M"	0
"979610"	383.18581	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-H2O-H"	-19.01839
"68949"	267.128857333333	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M-3H"	-3.021828
"510697"	401.196924	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M-3H"	-3.021828
"895063"	133.060790666667	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-3H"	-3.021828
"12545"	401.196924	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M-2H"	-2.014552
"455227"	602.299024	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M-2H"	-2.014552
"831368"	200.094824	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-2H"	-2.014552
"86618"	803.401124	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M-H"	-1.007276
"525084"	1205.605324	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M-H"	-1.007276
"901795"	401.196924	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-H"	-1.007276
"55079"	820.427671	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M-2H+NH4"	16.019271
"497922"	1222.631871	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M-2H+NH4"	16.019271
"875723"	418.223471	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-2H+NH4"	16.019271
"35969"	825.383066	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M-2H+Na"	20.974666
"477715"	1227.587266	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M-2H+Na"	20.974666
"852236"	423.178866	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-2H+Na"	20.974666
"1619337"	423.178866	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Na-2H"	20.974666
"96838"	419.185263	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M-H+Cl"	33.962126
"536036"	620.287363	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M-H+Cl"	33.962126
"930646"	218.083163	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-H+Cl"	33.962126
"269203"	839.377802	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+Cl"	34.969402
"663449"	1241.582002	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+Cl"	34.969402
"1274759"	437.173602	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Cl"	34.969402
"20596"	841.357006	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M-2H+K"	36.948606
"457967"	1243.561206	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M-2H+K"	36.948606
"837961"	439.152806	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-2H+K"	36.948606
"1563636"	439.152806	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+K-2H"	36.948606
"946779"	447.202394	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-H+HCOOH"	44.998194
"362803"	849.406601	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+HCOOH-H"	44.998201
"352521"	863.422251	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+Hac-H"	59.013851
"1498076"	461.218051	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Hac-H"	59.013851
"965981"	469.184351	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-H+NaCOOH"	66.980151
"117804"	437.173602	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+2Cl"	69.938804
"559553"	638.275702	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+2Cl"	69.938804
"1029443"	236.071502	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2Cl"	69.938804
"1251208"	481.123085	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Br"	78.918885
"1311471"	483.179072	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Cl+HCOOH"	80.974872
"1321677"	505.161029	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Cl+NaCOOH"	102.956829
"911721"	515.189786	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M-H+CF3COOH"	112.985586
"1288543"	551.166464	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Cl+CF3COOH"	148.962264
"1367725"	367.191524	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H-2H2O"	-35.012676
"1385831"	385.2015	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H-H2O"	-17.0027
"283084"	805.415676	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+H"	1.007276
"676397"	1207.619876	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+H"	1.007276
"1352221"	403.211476	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H"	1.007276
"126446"	403.211476	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+2H"	2.014552
"565720"	604.313576	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+2H"	2.014552
"1037601"	202.109376	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2H"	2.014552
"204573"	269.143409333333	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+3H"	3.021828
"645180"	403.211476	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+3H"	3.021828
"1166228"	135.075342666667	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+3H"	3.021828
"425488"	822.442223	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+NH4"	18.033823
"787944"	1224.646423	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+NH4"	18.033823
"1683910"	420.238023	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+NH4"	18.033823
"330728"	411.7247495	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+H+NH4"	19.041099
"725702"	612.8268495	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+H+NH4"	19.041099
"1477134"	210.6226495	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H+NH4"	19.041099
"397117"	827.397618	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+Na"	22.989218
"758114"	1229.601818	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+Na"	22.989218
"1608401"	425.193418	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Na"	22.989218
"319532"	414.202447	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+H+Na"	23.996494
"722531"	615.304547	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+H+Na"	23.996494
"1474649"	213.100347	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H+Na"	23.996494
"1068261"	142.402656666667	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2H+Na"	25.00377
"1268357"	435.237686	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+CH3OH+H"	33.033486
"390214"	843.371558	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+K"	38.963158
"753163"	1245.575758	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+K"	38.963158
"1555089"	441.167358	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+K"	38.963158
"311541"	422.189417	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+H+K"	39.970434
"703959"	623.291517	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+H+K"	39.970434
"1460777"	221.087317	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H+K"	39.970434
"246380"	846.442226	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+ACN+H"	42.033826
"1221276"	444.238026	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+ACN+H"	42.033826
"1201882"	222.622651	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+ACN+2H"	43.041102
"193659"	849.37956	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+2Na-H"	44.97116
"636500"	1251.58376	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+2Na-H"	44.97116
"1135632"	447.17536	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2Na-H"	44.97116
"175643"	425.193418	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+2Na"	45.978436
"620672"	626.295518	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+2Na"	45.978436
"1121991"	224.091318	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2Na"	45.978436
"1401141"	149.729970666667	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H+2Na"	46.985712
"1435442"	449.216946	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H+HCOOH"	47.012746
"224043"	430.22644	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+3H2O+2H"	56.04448
"1514292"	463.26899	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+IsoProp+H"	61.06479
"408994"	433.180388	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+Na+K"	61.952376
"773877"	634.282488	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+Na+K"	61.952376
"1666198"	232.078288	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Na+K"	61.952376
"255635"	868.424168	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+ACN+Na"	64.015768
"1227984"	466.219968	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+ACN+Na"	64.015768
"1719425"	466.243493	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+NH4+HCOOH"	64.039293
"1188062"	157.057284666667	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+3Na"	68.967654
"1654673"	471.198888	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Na+HCOOH"	68.994688
"162630"	881.32744	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+2K-H"	76.91904
"606569"	1283.53164	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+2K-H"	76.91904
"1094361"	479.12324	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2K-H"	76.91904
"153366"	441.167358	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"2M+2K"	77.926316
"595845"	642.269458	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"3M+2K"	77.926316
"1081814"	240.065258	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2K"	77.926316
"1107369"	481.137792	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2K+H"	78.933592
"1343753"	481.225407	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+DMSO+H"	79.021207
"1013377"	485.264576	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2ACN+H"	83.060376
"1533691"	486.258208	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+IsoProp+Na+H"	84.054008
"997949"	243.135926	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+2ACN+2H"	84.067652
"1596831"	487.172828	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+K+HCOOH"	84.968628
"1421397"	517.204338	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+H+CF3COOH"	115.000138
"1156060"	263.649201	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+3ACN+2H"	125.094202
"1710351"	534.230885	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+NH4+CF3COOH"	132.026685
"1639074"	539.18628	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+Na+CF3COOH"	136.98208
"1573633"	555.16022	"C08173"	"Cortisone acetate;Cortisyl"	"C23H30O6"	"402.2042"	"M+K+CF3COOH"	152.95602
"801410"	434.2105	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M"	0
"979720"	415.19211	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-H2O-H"	-19.01839
"62948"	288.466390666667	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M-3H"	-3.021828
"511900"	433.203224	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M-3H"	-3.021828
"891891"	143.729557333333	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-3H"	-3.021828
"7186"	433.203224	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H"	-2.014552
"454401"	650.308474	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H"	-2.014552
"825640"	216.097974	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-2H"	-2.014552
"85635"	867.413724	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M-H"	-1.007276
"521549"	1301.624224	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M-H"	-1.007276
"904091"	433.203224	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-H"	-1.007276
"57374"	884.440271	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H+NH4"	16.019271
"498029"	1318.650771	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H+NH4"	16.019271
"875830"	450.229771	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-2H+NH4"	16.019271
"42637"	889.395666	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H+Na"	20.974666
"482199"	1323.606166	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H+Na"	20.974666
"848937"	455.185166	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-2H+Na"	20.974666
"1618674"	455.185166	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Na-2H"	20.974666
"94635"	451.191563	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M-H+Cl"	33.962126
"535409"	668.296813	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M-H+Cl"	33.962126
"930028"	234.086313	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-H+Cl"	33.962126
"269677"	903.390402	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+Cl"	34.969402
"662828"	1337.600902	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+Cl"	34.969402
"1275961"	469.179902	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl"	34.969402
"18883"	905.369606	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M-2H+K"	36.948606
"457105"	1339.580106	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M-2H+K"	36.948606
"836976"	471.159106	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-2H+K"	36.948606
"1561923"	471.159106	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+K-2H"	36.948606
"946888"	479.208694	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-H+HCOOH"	44.998194
"362911"	913.419201	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+HCOOH-H"	44.998201
"349713"	927.434851	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+Hac-H"	59.013851
"1498914"	493.224351	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Hac-H"	59.013851
"964997"	501.190651	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-H+NaCOOH"	66.980151
"116090"	469.179902	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+2Cl"	69.938804
"559663"	686.285152	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+2Cl"	69.938804
"1025543"	252.074652	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2Cl"	69.938804
"1248402"	513.129385	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Br"	78.918885
"1307206"	515.185372	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl+HCOOH"	80.974872
"1320080"	537.167329	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl+NaCOOH"	102.956829
"911537"	547.196086	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M-H+CF3COOH"	112.985586
"1288769"	583.172764	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Cl+CF3COOH"	148.962264
"1367337"	399.197824	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H-2H2O"	-35.012676
"1383250"	417.2078	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H-H2O"	-17.0027
"283232"	869.428276	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+H"	1.007276
"676218"	1303.638776	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+H"	1.007276
"1352086"	435.217776	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H"	1.007276
"126191"	435.217776	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+2H"	2.014552
"566602"	652.323026	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+2H"	2.014552
"1038565"	218.112526	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2H"	2.014552
"206466"	290.480942666667	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+3H"	3.021828
"644516"	435.217776	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+3H"	3.021828
"1164512"	145.744109333333	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+3H"	3.021828
"425961"	886.454823	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+NH4"	18.033823
"787689"	1320.665323	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+NH4"	18.033823
"1684020"	452.244323	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+NH4"	18.033823
"330836"	443.7310495	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+H+NH4"	19.041099
"726177"	660.8362995	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+H+NH4"	19.041099
"1477052"	226.6257995	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H+NH4"	19.041099
"397227"	891.410218	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+Na"	22.989218
"757129"	1325.620718	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+Na"	22.989218
"1605229"	457.199718	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Na"	22.989218
"318548"	446.208747	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+H+Na"	23.996494
"722158"	663.313997	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+H+Na"	23.996494
"1474880"	229.103497	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H+Na"	23.996494
"1068127"	153.071423333333	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2H+Na"	25.00377
"1267374"	467.243986	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+CH3OH+H"	33.033486
"389229"	907.384158	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+K"	38.963158
"751318"	1341.594658	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+K"	38.963158
"1552887"	473.173658	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+K"	38.963158
"310558"	454.195717	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+H+K"	39.970434
"704069"	671.300967	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+H+K"	39.970434
"1461092"	237.090467	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H+K"	39.970434
"242116"	910.454826	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+ACN+H"	42.033826
"1221386"	476.244326	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+ACN+H"	42.033826
"1201992"	238.625801	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+ACN+2H"	43.041102
"192676"	913.39216	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+2Na-H"	44.97116
"630048"	1347.60266	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+2Na-H"	44.97116
"1132462"	479.18166	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2Na-H"	44.97116
"172900"	457.199718	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+2Na"	45.978436
"617501"	674.304968	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+2Na"	45.978436
"1120278"	240.094468	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2Na"	45.978436
"1400521"	160.398737333333	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H+2Na"	46.985712
"1435552"	481.223246	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H+HCOOH"	47.012746
"220871"	462.23274	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+3H2O+2H"	56.04448
"1511121"	495.27529	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+IsoProp+H"	61.06479
"410803"	465.186688	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+Na+K"	61.952376
"772163"	682.291938	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+Na+K"	61.952376
"1666671"	248.081438	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Na+K"	61.952376
"254651"	932.436768	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+ACN+Na"	64.015768
"1226637"	498.226268	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+ACN+Na"	64.015768
"1717349"	498.249793	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+NH4+HCOOH"	64.039293
"1188172"	167.726051333333	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+3Na"	68.967654
"1652596"	503.205188	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Na+HCOOH"	68.994688
"162740"	945.34004	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+2K-H"	76.91904
"606678"	1379.55054	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+2K-H"	76.91904
"1094471"	511.12954	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2K-H"	76.91904
"152383"	473.173658	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"2M+2K"	77.926316
"596197"	690.278908	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"3M+2K"	77.926316
"1080830"	256.068408	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2K"	77.926316
"1106385"	513.144092	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2K+H"	78.933592
"1338031"	513.231707	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+DMSO+H"	79.021207
"1012393"	517.270876	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2ACN+H"	83.060376
"1533801"	518.264508	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+IsoProp+Na+H"	84.054008
"996966"	259.139076	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+2ACN+2H"	84.067652
"1595848"	519.179128	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+K+HCOOH"	84.968628
"1420413"	549.210638	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+H+CF3COOH"	115.000138
"1155077"	279.652351	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+3ACN+2H"	125.094202
"1710096"	566.237185	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+NH4+CF3COOH"	132.026685
"1638091"	571.19258	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+Na+CF3COOH"	136.98208
"1573743"	587.16652	"C08174"	"Dexamethasone acetate anhydrous"	"C24H31FO6"	"434.2105"	"M+K+CF3COOH"	152.95602
"801754"	516.1301	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M"	0
"979830"	497.11171	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-H2O-H"	-19.01839
"63184"	343.079457333333	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M-3H"	-3.021828
"512010"	515.122824	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M-3H"	-3.021828
"890907"	171.036090666667	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-3H"	-3.021828
"6203"	515.122824	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M-2H"	-2.014552
"451230"	773.187874	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M-2H"	-2.014552
"824657"	257.057774	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-2H"	-2.014552
"82465"	1031.252924	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M-H"	-1.007276
"520202"	1547.383024	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M-H"	-1.007276
"904201"	515.122824	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-H"	-1.007276
"55296"	1048.279471	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M-2H+NH4"	16.019271
"495952"	1564.409571	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M-2H+NH4"	16.019271
"873754"	532.149371	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-2H+NH4"	16.019271
"43841"	1053.234866	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M-2H+Na"	20.974666
"479027"	1569.364966	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M-2H+Na"	20.974666
"848543"	537.104766	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-2H+Na"	20.974666
"1619192"	537.104766	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Na-2H"	20.974666
"94363"	533.111163	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M-H+Cl"	33.962126
"534314"	791.176213	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M-H+Cl"	33.962126
"930503"	275.046113	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-H+Cl"	33.962126
"268694"	1067.229602	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+Cl"	34.969402
"661966"	1583.359702	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+Cl"	34.969402
"1274246"	551.099502	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Cl"	34.969402
"17777"	1069.208806	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M-2H+K"	36.948606
"457457"	1585.338906	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M-2H+K"	36.948606
"837086"	553.078706	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-2H+K"	36.948606
"1560573"	553.078706	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+K-2H"	36.948606
"945904"	561.128294	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-H+HCOOH"	44.998194
"361886"	1077.258401	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+HCOOH-H"	44.998201
"347272"	1091.274051	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+Hac-H"	59.013851
"1496835"	575.143951	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Hac-H"	59.013851
"961825"	583.110251	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-H+NaCOOH"	66.980151
"115107"	551.099502	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+2Cl"	69.938804
"557221"	809.164552	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+2Cl"	69.938804
"1025653"	293.034452	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2Cl"	69.938804
"1245596"	595.048985	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Br"	78.918885
"1307316"	597.104972	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Cl+HCOOH"	80.974872
"1320924"	619.086929	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Cl+NaCOOH"	102.956829
"911569"	629.115686	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M-H+CF3COOH"	112.985586
"1288602"	665.092364	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Cl+CF3COOH"	148.962264
"1367573"	481.117424	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H-2H2O"	-35.012676
"1382874"	499.1274	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H-H2O"	-17.0027
"283422"	1033.267476	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+H"	1.007276
"676289"	1549.397576	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+H"	1.007276
"1352686"	517.137376	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H"	1.007276
"127030"	517.137376	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+2H"	2.014552
"566266"	775.202426	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+2H"	2.014552
"1038429"	259.072326	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2H"	2.014552
"205357"	345.094009333333	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+3H"	3.021828
"646131"	517.137376	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+3H"	3.021828
"1164253"	173.050642666667	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+3H"	3.021828
"425584"	1050.294023	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+NH4"	18.033823
"787798"	1566.424123	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+NH4"	18.033823
"1683763"	534.163923	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+NH4"	18.033823
"332040"	525.6506495	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+H+NH4"	19.041099
"725923"	783.7156995	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+H+NH4"	19.041099
"1477804"	267.5855995	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H+NH4"	19.041099
"397337"	1055.249418	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+Na"	22.989218
"758332"	1571.379518	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+Na"	22.989218
"1608619"	539.119318	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Na"	22.989218
"319751"	528.128347	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+H+Na"	23.996494
"721780"	786.193397	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+H+Na"	23.996494
"1474382"	270.063297	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H+Na"	23.996494
"1067872"	180.377956666667	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2H+Na"	25.00377
"1268578"	549.163586	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+CH3OH+H"	33.033486
"384964"	1071.223358	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+K"	38.963158
"751428"	1587.353458	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+K"	38.963158
"1550201"	555.093258	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+K"	38.963158
"309575"	536.115317	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+H+K"	39.970434
"705272"	794.180367	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+H+K"	39.970434
"1459091"	278.050267	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H+K"	39.970434
"245507"	1074.294026	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+ACN+H"	42.033826
"1217122"	558.163926	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+ACN+H"	42.033826
"1199916"	279.585601	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+ACN+2H"	43.041102
"192786"	1077.23136	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+2Na-H"	44.97116
"629064"	1593.36146	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+2Na-H"	44.97116
"1132571"	561.10126	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2Na-H"	44.97116
"174040"	539.119318	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+2Na"	45.978436
"618705"	797.184368	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+2Na"	45.978436
"1118201"	281.054268	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2Na"	45.978436
"1400631"	187.705270666667	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H+2Na"	46.985712
"1433475"	563.142846	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H+HCOOH"	47.012746
"221831"	544.15234	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+3H2O+2H"	56.04448
"1513419"	577.19489	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+IsoProp+H"	61.06479
"411278"	547.106288	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+Na+K"	61.952376
"773365"	805.171338	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+Na+K"	61.952376
"1665848"	289.041238	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Na+K"	61.952376
"252571"	1096.275968	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+ACN+Na"	64.015768
"1227475"	580.145868	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+ACN+Na"	64.015768
"1716730"	580.169393	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+NH4+HCOOH"	64.039293
"1183909"	195.032584666667	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+3Na"	68.967654
"1653801"	585.124788	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Na+HCOOH"	68.994688
"161757"	1109.17924	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+2K-H"	76.91904
"606788"	1625.30934	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+2K-H"	76.91904
"1093488"	593.04914	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2K-H"	76.91904
"152492"	555.093258	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"2M+2K"	77.926316
"595214"	813.158308	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"3M+2K"	77.926316
"1081912"	297.028208	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2K"	77.926316
"1107588"	595.063692	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2K+H"	78.933592
"1343973"	595.151307	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+DMSO+H"	79.021207
"1013597"	599.190476	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2ACN+H"	83.060376
"1532816"	600.184108	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+IsoProp+Na+H"	84.054008
"998169"	300.098876	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+2ACN+2H"	84.067652
"1594864"	601.098728	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+K+HCOOH"	84.968628
"1416150"	631.130238	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+H+CF3COOH"	115.000138
"1157374"	320.612151	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+3ACN+2H"	125.094202
"1710206"	648.156785	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+NH4+CF3COOH"	132.026685
"1636014"	653.11218	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+Na+CF3COOH"	136.98208
"1573853"	669.08612	"C08175"	"Dexamethasone sodium phosphate"	"C22H28FO8P2Na"	"516.1301"	"M+K+CF3COOH"	152.95602
"803124"	486.2981	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M"	0
"979940"	467.27971	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-H2O-H"	-19.01839
"65996"	323.191457333333	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M-3H"	-3.021828
"513213"	485.290824	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M-3H"	-3.021828
"888830"	161.092090666667	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-3H"	-3.021828
"6313"	485.290824	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M-2H"	-2.014552
"453526"	728.439874	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M-2H"	-2.014552
"829140"	242.141774	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-2H"	-2.014552
"85855"	971.588924	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M-H"	-1.007276
"520433"	1457.887024	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M-H"	-1.007276
"901031"	485.290824	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-H"	-1.007276
"54313"	988.615471	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M-2H+NH4"	16.019271
"498247"	1474.913571	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M-2H+NH4"	16.019271
"876778"	502.317371	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-2H+NH4"	16.019271
"44679"	993.570866	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M-2H+Na"	20.974666
"483876"	1479.868966	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M-2H+Na"	20.974666
"854753"	507.272766	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-2H+Na"	20.974666
"1618978"	507.272766	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Na-2H"	20.974666
"94812"	503.279163	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M-H+Cl"	33.962126
"534618"	746.428213	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M-H+Cl"	33.962126
"930613"	260.130113	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-H+Cl"	33.962126
"270626"	1007.565602	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+Cl"	34.969402
"662684"	1493.863702	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+Cl"	34.969402
"1274477"	521.267502	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Cl"	34.969402
"20924"	1009.544806	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M-2H+K"	36.948606
"459391"	1495.842906	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M-2H+K"	36.948606
"837924"	523.246706	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-2H+K"	36.948606
"1561412"	523.246706	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+K-2H"	36.948606
"946378"	531.296294	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-H+HCOOH"	44.998194
"361796"	1017.594401	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+HCOOH-H"	44.998201
"346043"	1031.610051	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+Hac-H"	59.013851
"1496580"	545.311951	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Hac-H"	59.013851
"964486"	553.278251	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-H+NaCOOH"	66.980151
"113757"	521.267502	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+2Cl"	69.938804
"554779"	764.416552	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+2Cl"	69.938804
"1026856"	278.118452	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2Cl"	69.938804
"1242424"	565.216985	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Br"	78.918885
"1304629"	567.272972	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Cl+HCOOH"	80.974872
"1319933"	589.254929	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Cl+NaCOOH"	102.956829
"911358"	599.283686	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M-H+CF3COOH"	112.985586
"1288512"	635.260364	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Cl+CF3COOH"	148.962264
"1367049"	451.285424	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H-2H2O"	-35.012676
"1383110"	469.2954	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H-H2O"	-17.0027
"283048"	973.603476	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+H"	1.007276
"675691"	1459.901576	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+H"	1.007276
"1351347"	487.305376	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H"	1.007276
"125851"	487.305376	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+2H"	2.014552
"566951"	730.454426	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+2H"	2.014552
"1037198"	244.156326	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2H"	2.014552
"204856"	325.206009333333	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+3H"	3.021828
"644455"	487.305376	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+3H"	3.021828
"1162763"	163.106642666667	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+3H"	3.021828
"425815"	990.630023	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+NH4"	18.033823
"786571"	1476.928123	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+NH4"	18.033823
"1683509"	504.331923	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+NH4"	18.033823
"331421"	495.8186495	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+H+NH4"	19.041099
"725303"	738.9676995	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+H+NH4"	19.041099
"1478400"	252.6695995	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H+NH4"	19.041099
"393554"	995.585418	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+Na"	22.989218
"757349"	1481.883518	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+Na"	22.989218
"1605449"	509.287318	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Na"	22.989218
"318766"	498.296347	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+H+Na"	23.996494
"721767"	741.445397	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+H+Na"	23.996494
"1474857"	255.147297	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H+Na"	23.996494
"1068404"	170.433956666667	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2H+Na"	25.00377
"1272421"	519.331586	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+CH3OH+H"	33.033486
"387261"	1011.559358	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+K"	38.963158
"750445"	1497.857458	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+K"	38.963158
"1552497"	525.261258	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+K"	38.963158
"313573"	506.283317	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+H+K"	39.970434
"703195"	749.432367	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+H+K"	39.970434
"1458107"	263.134267	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H+K"	39.970434
"246710"	1014.630026	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+ACN+H"	42.033826
"1216137"	528.331926	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+ACN+H"	42.033826
"1203307"	264.669601	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+ACN+2H"	43.041102
"196176"	1017.56736	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+2Na-H"	44.97116
"631362"	1503.86546	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+2Na-H"	44.97116
"1134869"	531.26926	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2Na-H"	44.97116
"184356"	509.287318	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+2Na"	45.978436
"618086"	752.436368	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+2Na"	45.978436
"1118675"	266.138268	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2Na"	45.978436
"1402564"	177.761270666667	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H+2Na"	46.985712
"1433585"	533.310846	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H+HCOOH"	47.012746
"223280"	514.32034	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+3H2O+2H"	56.04448
"1514622"	547.36289	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+IsoProp+H"	61.06479
"408714"	517.274288	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+Na+K"	61.952376
"770093"	760.423338	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+Na+K"	61.952376
"1666039"	274.125238	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Na+K"	61.952376
"252197"	1036.611968	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+ACN+Na"	64.015768
"1226370"	550.313868	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+ACN+Na"	64.015768
"1715380"	550.337393	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+NH4+HCOOH"	64.039293
"1184019"	185.088584666667	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+3Na"	68.967654
"1653911"	555.292788	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Na+HCOOH"	68.994688
"165147"	1049.51524	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+2K-H"	76.91904
"606898"	1535.81334	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+2K-H"	76.91904
"1095784"	563.21714	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2K-H"	76.91904
"156615"	525.261258	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"2M+2K"	77.926316
"596418"	768.410308	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"3M+2K"	77.926316
"1082754"	282.112208	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2K"	77.926316
"1113044"	565.231692	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2K+H"	78.933592
"1348457"	565.319307	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+DMSO+H"	79.021207
"1018080"	569.358476	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2ACN+H"	83.060376
"1535113"	570.352108	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+IsoProp+Na+H"	84.054008
"1000466"	285.182876	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+2ACN+2H"	84.067652
"1591693"	571.266728	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+K+HCOOH"	84.968628
"1422819"	601.298238	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+H+CF3COOH"	115.000138
"1155297"	305.696151	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+3ACN+2H"	125.094202
"1710316"	618.324785	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+NH4+CF3COOH"	132.026685
"1634705"	623.28018	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+Na+CF3COOH"	136.98208
"1572870"	639.25412	"C08176"	"Hydrocortisone cypionate"	"C29H42O6"	"486.2981"	"M+K+CF3COOH"	152.95602
"801488"	484.2073	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M"	0
"980050"	465.18891	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-H2O-H"	-19.01839
"63920"	321.797590666667	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M-3H"	-3.021828
"514416"	483.200024	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M-3H"	-3.021828
"891126"	160.395157333333	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-3H"	-3.021828
"9702"	483.200024	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M-2H"	-2.014552
"453636"	725.303674	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M-2H"	-2.014552
"824877"	241.096374	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-2H"	-2.014552
"85965"	967.407324	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M-H"	-1.007276
"520422"	1451.614624	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M-H"	-1.007276
"904421"	483.200024	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-H"	-1.007276
"53328"	984.433871	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M-2H+NH4"	16.019271
"499450"	1468.641171	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M-2H+NH4"	16.019271
"875065"	500.226571	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-2H+NH4"	16.019271
"39685"	989.389266	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M-2H+Na"	20.974666
"480339"	1473.596566	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M-2H+Na"	20.974666
"851583"	505.181966	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-2H+Na"	20.974666
"1620141"	505.181966	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Na-2H"	20.974666
"94959"	501.188363	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M-H+Cl"	33.962126
"535128"	743.292013	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M-H+Cl"	33.962126
"931087"	259.084713	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-H+Cl"	33.962126
"268304"	1003.384002	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+Cl"	34.969402
"663887"	1487.591302	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+Cl"	34.969402
"1274587"	519.176702	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Cl"	34.969402
"19941"	1005.363206	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M-2H+K"	36.948606
"456459"	1489.570506	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M-2H+K"	36.948606
"838034"	521.155906	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-2H+K"	36.948606
"1559335"	521.155906	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+K-2H"	36.948606
"947216"	529.205494	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-H+HCOOH"	44.998194
"363242"	1013.412801	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+HCOOH-H"	44.998201
"347491"	1027.428451	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+Hac-H"	59.013851
"1497783"	543.221151	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Hac-H"	59.013851
"960585"	551.187451	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-H+NaCOOH"	66.980151
"114960"	519.176702	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+2Cl"	69.938804
"555982"	761.280352	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+2Cl"	69.938804
"1027330"	277.073052	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2Cl"	69.938804
"1242534"	563.126185	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Br"	78.918885
"1304617"	565.182172	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Cl+HCOOH"	80.974872
"1320123"	587.164129	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Cl+NaCOOH"	102.956829
"911626"	597.192886	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M-H+CF3COOH"	112.985586
"1288699"	633.169564	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Cl+CF3COOH"	148.962264
"1367138"	449.194624	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H-2H2O"	-35.012676
"1383053"	467.2046	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H-H2O"	-17.0027
"282904"	969.421876	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+H"	1.007276
"675813"	1453.629176	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+H"	1.007276
"1351926"	485.214576	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H"	1.007276
"125741"	485.214576	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+2H"	2.014552
"565855"	727.318226	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+2H"	2.014552
"1037190"	243.110926	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2H"	2.014552
"205088"	323.812142666667	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+3H"	3.021828
"644356"	485.214576	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+3H"	3.021828
"1162806"	162.409709333333	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+3H"	3.021828
"425075"	986.448423	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+NH4"	18.033823
"786924"	1470.655723	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+NH4"	18.033823
"1682159"	502.241123	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+NH4"	18.033823
"330189"	493.7278495	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+H+NH4"	19.041099
"723591"	735.8314995	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+H+NH4"	19.041099
"1477195"	251.6241995	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H+NH4"	19.041099
"393058"	991.403818	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+Na"	22.989218
"755273"	1475.611118	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+Na"	22.989218
"1605559"	507.196518	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Na"	22.989218
"321063"	496.205547	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+H+Na"	23.996494
"722610"	738.309197	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+H+Na"	23.996494
"1474967"	254.101897	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H+Na"	23.996494
"1068425"	169.737023333333	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2H+Na"	25.00377
"1272694"	517.240786	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+CH3OH+H"	33.033486
"388464"	1007.377758	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+K"	38.963158
"751284"	1491.585058	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+K"	38.963158
"1552609"	523.170458	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+K"	38.963158
"309787"	504.192517	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+H+K"	39.970434
"704396"	746.296167	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+H+K"	39.970434
"1456029"	262.088867	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H+K"	39.970434
"246820"	1010.448426	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+ACN+H"	42.033826
"1216247"	526.241126	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+ACN+H"	42.033826
"1204510"	263.624201	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+ACN+2H"	43.041102
"196286"	1013.38576	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+2Na-H"	44.97116
"631472"	1497.59306	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+2Na-H"	44.97116
"1134979"	529.17846	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2Na-H"	44.97116
"181550"	507.196518	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+2Na"	45.978436
"613449"	749.300168	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+2Na"	45.978436
"1118786"	265.092868	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2Na"	45.978436
"1403404"	177.064337333333	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H+2Na"	46.985712
"1432967"	531.220046	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H+HCOOH"	47.012746
"221199"	512.22954	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+3H2O+2H"	56.04448
"1513640"	545.27209	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+IsoProp+H"	61.06479
"408581"	515.183488	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+Na+K"	61.952376
"770670"	757.287138	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+Na+K"	61.952376
"1665712"	273.079838	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Na+K"	61.952376
"251505"	1032.430368	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+ACN+Na"	64.015768
"1226116"	548.223068	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+ACN+Na"	64.015768
"1716584"	548.246593	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+NH4+HCOOH"	64.039293
"1186315"	184.391651333333	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+3Na"	68.967654
"1654021"	553.201988	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Na+HCOOH"	68.994688
"165257"	1045.33364	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+2K-H"	76.91904
"608101"	1529.54094	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+2K-H"	76.91904
"1095894"	561.12634	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2K-H"	76.91904
"152710"	523.170458	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"2M+2K"	77.926316
"593365"	765.274108	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"3M+2K"	77.926316
"1083594"	281.066808	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2K"	77.926316
"1115220"	563.140892	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2K+H"	78.933592
"1349660"	563.228507	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+DMSO+H"	79.021207
"1018192"	567.267676	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2ACN+H"	83.060376
"1534130"	568.261308	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+IsoProp+Na+H"	84.054008
"999484"	284.137476	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+2ACN+2H"	84.067652
"1591803"	569.175928	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+K+HCOOH"	84.968628
"1419649"	599.207438	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+H+CF3COOH"	115.000138
"1153220"	304.650751	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+3ACN+2H"	125.094202
"1711155"	616.233985	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+NH4+CF3COOH"	132.026685
"1637327"	621.18938	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+Na+CF3COOH"	136.98208
"1572980"	637.16332	"C08178"	"Hydrocortisone sodium succinate"	"C25H33O8Na"	"484.2073"	"M+K+CF3COOH"	152.95602
"806627"	416.2199	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M"	0
"985630"	397.20151	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-H2O-H"	-19.01839
"66219"	276.472657333333	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M-3H"	-3.021828
"514530"	415.212624	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M-3H"	-3.021828
"890144"	137.732690666667	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-3H"	-3.021828
"9814"	415.212624	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M-2H"	-2.014552
"451561"	623.322574	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M-2H"	-2.014552
"829363"	207.102674	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-2H"	-2.014552
"86074"	831.432524	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M-H"	-1.007276
"520168"	1247.652424	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M-H"	-1.007276
"907449"	415.212624	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-H"	-1.007276
"53441"	848.459071	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M-2H+NH4"	16.019271
"494096"	1264.678971	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M-2H+NH4"	16.019271
"868617"	432.239171	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-2H+NH4"	16.019271
"37612"	853.414466	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M-2H+Na"	20.974666
"476079"	1269.634366	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M-2H+Na"	20.974666
"850601"	437.194566	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-2H+Na"	20.974666
"1618498"	437.194566	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Na-2H"	20.974666
"94294"	433.200963	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M-H+Cl"	33.962126
"534393"	641.310913	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M-H+Cl"	33.962126
"930833"	225.091013	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-H+Cl"	33.962126
"267564"	867.409202	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+Cl"	34.969402
"662051"	1283.629102	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+Cl"	34.969402
"1274579"	451.189302	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Cl"	34.969402
"17864"	869.388406	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M-2H+K"	36.948606
"456815"	1285.608306	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M-2H+K"	36.948606
"837781"	453.168506	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-2H+K"	36.948606
"1558351"	453.168506	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+K-2H"	36.948606
"947693"	461.218094	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-H+HCOOH"	44.998194
"362988"	877.438001	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+HCOOH-H"	44.998201
"349061"	891.453651	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+Hac-H"	59.013851
"1495348"	475.233751	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Hac-H"	59.013851
"962520"	483.200051	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-H+NaCOOH"	66.980151
"113615"	451.189302	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+2Cl"	69.938804
"556092"	659.299252	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+2Cl"	69.938804
"1026347"	243.079352	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2Cl"	69.938804
"1243009"	495.138785	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Br"	78.918885
"1306187"	497.194772	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Cl+HCOOH"	80.974872
"1320158"	519.176729	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Cl+NaCOOH"	102.956829
"912549"	529.205486	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M-H+CF3COOH"	112.985586
"1289622"	565.182164	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Cl+CF3COOH"	148.962264
"1367456"	381.207224	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H-2H2O"	-35.012676
"1382857"	399.2172	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H-H2O"	-17.0027
"283866"	833.447076	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+H"	1.007276
"676331"	1249.666976	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+H"	1.007276
"1351674"	417.227176	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H"	1.007276
"126260"	417.227176	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+2H"	2.014552
"565941"	625.337126	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+2H"	2.014552
"1037579"	209.117226	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2H"	2.014552
"204956"	278.487209333333	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+3H"	3.021828
"644550"	417.227176	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+3H"	3.021828
"1163363"	139.747242666667	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+3H"	3.021828
"426034"	850.473623	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+NH4"	18.033823
"786790"	1266.693523	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+NH4"	18.033823
"1682996"	434.253723	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+NH4"	18.033823
"330906"	425.7404495	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+H+NH4"	19.041099
"723332"	633.8503995	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+H+NH4"	19.041099
"1477230"	217.6304995	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H+NH4"	19.041099
"392913"	855.429018	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+Na"	22.989218
"754649"	1271.648918	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+Na"	22.989218
"1603603"	439.209118	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Na"	22.989218
"321174"	428.218147	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+H+Na"	23.996494
"709221"	636.328097	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+H+Na"	23.996494
"1469971"	220.108197	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H+Na"	23.996494
"1060664"	147.074556666667	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2H+Na"	25.00377
"1269636"	449.253386	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+CH3OH+H"	33.033486
"386388"	871.402958	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+K"	38.963158
"751394"	1287.622858	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+K"	38.963158
"1554420"	455.183058	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+K"	38.963158
"308806"	436.205117	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+H+K"	39.970434
"705237"	644.315067	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+H+K"	39.970434
"1457234"	228.095167	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H+K"	39.970434
"246930"	874.473626	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+ACN+H"	42.033826
"1216357"	458.253726	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+ACN+H"	42.033826
"1201339"	229.630501	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+ACN+2H"	43.041102
"195302"	877.41096	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+2Na-H"	44.97116
"633769"	1293.63086	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+2Na-H"	44.97116
"1134361"	461.19106	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2Na-H"	44.97116
"179473"	439.209118	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+2Na"	45.978436
"612931"	647.319068	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+2Na"	45.978436
"1116220"	231.099168	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2Na"	45.978436
"1400233"	154.401870666667	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H+2Na"	46.985712
"1433077"	463.232646	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H+HCOOH"	47.012746
"221069"	444.24214	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+3H2O+2H"	56.04448
"1510834"	477.28469	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+IsoProp+H"	61.06479
"408617"	447.196088	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+Na+K"	61.952376
"770415"	655.306038	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+Na+K"	61.952376
"1665696"	239.086138	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Na+K"	61.952376
"251926"	896.455568	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+ACN+Na"	64.015768
"1225862"	480.235668	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+ACN+Na"	64.015768
"1716695"	480.259193	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+NH4+HCOOH"	64.039293
"1180957"	161.729184666667	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+3Na"	68.967654
"1654131"	485.214588	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Na+HCOOH"	68.994688
"165367"	909.35884	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+2K-H"	76.91904
"612426"	1325.57874	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+2K-H"	76.91904
"1094909"	493.13894	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2K-H"	76.91904
"153914"	455.183058	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"2M+2K"	77.926316
"588004"	663.293008	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"3M+2K"	77.926316
"1076892"	247.073108	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2K"	77.926316
"1113384"	495.153492	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2K+H"	78.933592
"1345396"	495.241107	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+DMSO+H"	79.021207
"1019396"	499.280276	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2ACN+H"	83.060376
"1535337"	500.273908	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+IsoProp+Na+H"	84.054008
"994128"	250.143776	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+2ACN+2H"	84.067652
"1588754"	501.188528	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+K+HCOOH"	84.968628
"1416479"	531.220038	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+H+CF3COOH"	115.000138
"1153331"	270.657051	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+3ACN+2H"	125.094202
"1710536"	548.246585	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+NH4+CF3COOH"	132.026685
"1638534"	553.20198	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+Na+CF3COOH"	136.98208
"1573091"	569.17592	"C08179"	"Methylprednisolone acetate;6alpha-Methylprednisolone 21-acetate;11beta1721-Trihydroxy-6alpha-methylpregna-14-diene-320-dione 21-acetate;M-Predrol"	"C24H32O6"	"416.2199"	"M+K+CF3COOH"	152.95602
"802361"	402.2042	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M"	0
"980270"	383.18581	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-H2O-H"	-19.01839
"73985"	267.128857333333	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M-3H"	-3.021828
"515734"	401.196924	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M-3H"	-3.021828
"890254"	133.060790666667	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-3H"	-3.021828
"13206"	401.196924	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M-2H"	-2.014552
"451671"	602.299024	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M-2H"	-2.014552
"829474"	200.094824	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-2H"	-2.014552
"81811"	803.401124	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M-H"	-1.007276
"522465"	1205.605324	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M-H"	-1.007276
"907560"	401.196924	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-H"	-1.007276
"56831"	820.427671	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M-2H+NH4"	16.019271
"494206"	1222.631871	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M-2H+NH4"	16.019271
"868727"	418.223471	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-2H+NH4"	16.019271
"36629"	825.383066	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M-2H+Na"	20.974666
"475095"	1227.587266	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M-2H+Na"	20.974666
"849981"	423.178866	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-2H+Na"	20.974666
"1618466"	423.178866	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Na-2H"	20.974666
"94864"	419.185263	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M-H+Cl"	33.962126
"534306"	620.287363	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M-H+Cl"	33.962126
"927779"	218.083163	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-H+Cl"	33.962126
"267509"	839.377802	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+Cl"	34.969402
"660703"	1241.582002	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+Cl"	34.969402
"1272992"	437.173602	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Cl"	34.969402
"15747"	841.357006	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M-2H+K"	36.948606
"456557"	1243.561206	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M-2H+K"	36.948606
"837526"	439.152806	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-2H+K"	36.948606
"1557732"	439.152806	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+K-2H"	36.948606
"945617"	447.202394	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-H+HCOOH"	44.998194
"362735"	849.406601	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+HCOOH-H"	44.998201
"347715"	863.422251	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+Hac-H"	59.013851
"1497644"	461.218051	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Hac-H"	59.013851
"961538"	469.184351	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-H+NaCOOH"	66.980151
"112632"	437.173602	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+2Cl"	69.938804
"555474"	638.275702	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+2Cl"	69.938804
"1025365"	236.071502	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2Cl"	69.938804
"1244943"	481.123085	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Br"	78.918885
"1305569"	483.179072	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Cl+HCOOH"	80.974872
"1320025"	505.161029	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Cl+NaCOOH"	102.956829
"911933"	515.189786	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M-H+CF3COOH"	112.985586
"1288639"	551.166464	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Cl+CF3COOH"	148.962264
"1367528"	367.191524	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H-2H2O"	-35.012676
"1383683"	385.2015	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H-H2O"	-17.0027
"283372"	805.415676	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+H"	1.007276
"675834"	1207.619876	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+H"	1.007276
"1352634"	403.211476	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H"	1.007276
"125887"	403.211476	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+2H"	2.014552
"566060"	604.313576	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+2H"	2.014552
"1037205"	202.109376	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2H"	2.014552
"204700"	269.143409333333	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+3H"	3.021828
"645724"	403.211476	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+3H"	3.021828
"1164091"	135.075342666667	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+3H"	3.021828
"424937"	822.442223	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+NH4"	18.033823
"787142"	1224.646423	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+NH4"	18.033823
"1682381"	420.238023	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+NH4"	18.033823
"330538"	411.7247495	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+H+NH4"	19.041099
"722972"	612.8268495	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+H+NH4"	19.041099
"1477750"	210.6226495	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H+NH4"	19.041099
"392992"	827.397618	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+Na"	22.989218
"755855"	1229.601818	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+Na"	22.989218
"1603955"	425.193418	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Na"	22.989218
"321284"	414.202447	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+H+Na"	23.996494
"718448"	615.304547	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+H+Na"	23.996494
"1469715"	213.100347	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H+Na"	23.996494
"1060774"	142.402656666667	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2H+Na"	25.00377
"1269015"	435.237686	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+CH3OH+H"	33.033486
"387227"	843.371558	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+K"	38.963158
"751504"	1245.575758	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+K"	38.963158
"1553559"	441.167358	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+K"	38.963158
"308915"	422.189417	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+H+K"	39.970434
"702067"	623.291517	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+H+K"	39.970434
"1454064"	221.087317	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H+K"	39.970434
"243759"	846.442226	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+ACN+H"	42.033826
"1218655"	444.238026	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+ACN+H"	42.033826
"1205457"	222.622651	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+ACN+2H"	43.041102
"200877"	849.37956	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+2Na-H"	44.97116
"638981"	1251.58376	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+2Na-H"	44.97116
"1134225"	447.17536	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2Na-H"	44.97116
"181769"	425.193418	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+2Na"	45.978436
"618051"	626.295518	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+2Na"	45.978436
"1121922"	224.091318	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2Na"	45.978436
"1398755"	149.729970666667	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H+2Na"	46.985712
"1433187"	449.216946	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H+HCOOH"	47.012746
"223610"	430.22644	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+3H2O+2H"	56.04448
"1512766"	463.26899	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+IsoProp+H"	61.06479
"408611"	433.180388	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+Na+K"	61.952376
"770649"	634.282488	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+Na+K"	61.952376
"1665757"	232.078288	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Na+K"	61.952376
"251508"	868.424168	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+ACN+Na"	64.015768
"1225800"	466.219968	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+ACN+Na"	64.015768
"1712724"	466.243493	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+NH4+HCOOH"	64.039293
"1182160"	157.057284666667	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+3Na"	68.967654
"1655334"	471.198888	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Na+HCOOH"	68.994688
"165477"	881.32744	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+2K-H"	76.91904
"610507"	1283.53164	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+2K-H"	76.91904
"1095019"	479.12324	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2K-H"	76.91904
"144183"	441.167358	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"2M+2K"	77.926316
"585927"	642.269458	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"3M+2K"	77.926316
"1072628"	240.065258	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2K"	77.926316
"1109119"	481.137792	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2K+H"	78.933592
"1346599"	481.225407	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+DMSO+H"	79.021207
"1019140"	485.264576	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2ACN+H"	83.060376
"1537633"	486.258208	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+IsoProp+Na+H"	84.054008
"1002986"	243.135926	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+2ACN+2H"	84.067652
"1590929"	487.172828	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+K+HCOOH"	84.968628
"1417683"	517.204338	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+H+CF3COOH"	115.000138
"1156721"	263.649201	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+3ACN+2H"	125.094202
"1711739"	534.230885	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+NH4+CF3COOH"	132.026685
"1641924"	539.18628	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+Na+CF3COOH"	136.98208
"1573201"	555.16022	"C08180"	"Prednisolone acetate;Prednisolone 21-acetate;Pricortin"	"C23H30O6"	"402.2042"	"M+K+CF3COOH"	152.95602
"802835"	458.2668	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M"	0
"975033"	439.24841	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-H2O-H"	-19.01839
"77377"	304.503924	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M-3H"	-3.021828
"514752"	457.259524	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M-3H"	-3.021828
"893646"	151.748324	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-3H"	-3.021828
"12223"	457.259524	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M-2H"	-2.014552
"450688"	686.392924	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M-2H"	-2.014552
"829950"	228.126124	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-2H"	-2.014552
"88483"	915.526324	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M-H"	-1.007276
"529136"	1373.793124	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M-H"	-1.007276
"907670"	457.259524	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-H"	-1.007276
"56941"	932.552871	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M-2H+NH4"	16.019271
"497596"	1390.819671	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M-2H+NH4"	16.019271
"873211"	474.286071	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-2H+NH4"	16.019271
"38925"	937.508266	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M-2H+Na"	20.974666
"474113"	1395.775066	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M-2H+Na"	20.974666
"851914"	479.241466	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-2H+Na"	20.974666
"1620349"	479.241466	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Na-2H"	20.974666
"95785"	475.247863	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M-H+Cl"	33.962126
"534777"	704.381263	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M-H+Cl"	33.962126
"927155"	246.114463	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-H+Cl"	33.962126
"267154"	951.503002	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+Cl"	34.969402
"661665"	1409.769802	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+Cl"	34.969402
"1272938"	493.236202	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Cl"	34.969402
"15860"	953.482206	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M-2H+K"	36.948606
"455977"	1411.749006	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M-2H+K"	36.948606
"836908"	495.215406	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-2H+K"	36.948606
"1558572"	495.215406	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+K-2H"	36.948606
"947914"	503.264994	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-H+HCOOH"	44.998194
"363210"	961.531801	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+HCOOH-H"	44.998201
"350013"	975.547451	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+Hac-H"	59.013851
"1496661"	517.280651	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Hac-H"	59.013851
"962741"	525.246951	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-H+NaCOOH"	66.980151
"113106"	493.236202	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+2Cl"	69.938804
"560689"	722.369602	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+2Cl"	69.938804
"1029485"	264.102802	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2Cl"	69.938804
"1245417"	537.185685	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Br"	78.918885
"1306771"	539.241672	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Cl+HCOOH"	80.974872
"1323905"	561.223629	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Cl+NaCOOH"	102.956829
"914234"	571.252386	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M-H+CF3COOH"	112.985586
"1290573"	607.229064	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Cl+CF3COOH"	148.962264
"1368004"	423.254124	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H-2H2O"	-35.012676
"1383310"	441.2641	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H-H2O"	-17.0027
"283485"	917.540876	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+H"	1.007276
"676150"	1375.807676	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+H"	1.007276
"1351648"	459.274076	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H"	1.007276
"125765"	459.274076	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+2H"	2.014552
"566173"	688.407476	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+2H"	2.014552
"1038131"	230.140676	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2H"	2.014552
"204814"	306.518476	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+3H"	3.021828
"645350"	459.274076	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+3H"	3.021828
"1163347"	153.762876	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+3H"	3.021828
"425896"	934.567423	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+NH4"	18.033823
"787615"	1392.834223	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+NH4"	18.033823
"1682485"	476.300623	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+NH4"	18.033823
"331499"	467.7873495	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+H+NH4"	19.041099
"725017"	696.9207495	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+H+NH4"	19.041099
"1478110"	238.6539495	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H+NH4"	19.041099
"393630"	939.522818	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+Na"	22.989218
"755230"	1397.789618	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+Na"	22.989218
"1604796"	481.256018	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Na"	22.989218
"327834"	470.265047	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+H+Na"	23.996494
"720623"	699.398447	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+H+Na"	23.996494
"1474200"	241.131647	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H+Na"	23.996494
"1066962"	161.09019	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2H+Na"	25.00377
"1270221"	491.300286	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+CH3OH+H"	33.033486
"388430"	955.496758	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+K"	38.963158
"750887"	1413.763558	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+K"	38.963158
"1553916"	497.229958	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+K"	38.963158
"310119"	478.252017	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+H+K"	39.970434
"705824"	707.385417	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+H+K"	39.970434
"1460007"	249.118617	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H+K"	39.970434
"249338"	958.567426	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+ACN+H"	42.033826
"1221683"	500.300626	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+ACN+H"	42.033826
"1207392"	250.653951	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+ACN+2H"	43.041102
"200990"	961.50476	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+2Na-H"	44.97116
"639821"	1419.77156	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+2Na-H"	44.97116
"1137494"	503.23796	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2Na-H"	44.97116
"178599"	481.256018	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+2Na"	45.978436
"616338"	710.389418	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+2Na"	45.978436
"1119845"	252.122618	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2Na"	45.978436
"1405191"	168.417504	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H+2Na"	46.985712
"1436213"	505.279546	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H+HCOOH"	47.012746
"223721"	486.28904	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+3H2O+2H"	56.04448
"1513969"	519.33159	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+IsoProp+H"	61.06479
"411468"	489.242988	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+Na+K"	61.952376
"774649"	718.376388	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+Na+K"	61.952376
"1665753"	260.109588	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Na+K"	61.952376
"251908"	980.549368	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+ACN+Na"	64.015768
"1226324"	522.282568	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+ACN+Na"	64.015768
"1714359"	522.306093	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+NH4+HCOOH"	64.039293
"1183363"	175.744818	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+3Na"	68.967654
"1655443"	527.261488	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Na+HCOOH"	68.994688
"164494"	993.45264	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+2K-H"	76.91904
"609522"	1451.71944	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+2K-H"	76.91904
"1092942"	535.18584	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2K-H"	76.91904
"146479"	497.229958	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"2M+2K"	77.926316
"594790"	726.363358	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"3M+2K"	77.926316
"1080395"	268.096558	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2K"	77.926316
"1109230"	537.200392	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2K+H"	78.933592
"1345616"	537.288007	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+DMSO+H"	79.021207
"1013055"	541.327176	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2ACN+H"	83.060376
"1535555"	542.320808	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+IsoProp+Na+H"	84.054008
"999815"	271.167226	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+2ACN+2H"	84.067652
"1588852"	543.235428	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+K+HCOOH"	84.968628
"1418886"	573.266938	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+H+CF3COOH"	115.000138
"1154644"	291.680501	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+3ACN+2H"	125.094202
"1709662"	590.293485	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+NH4+CF3COOH"	132.026685
"1642034"	595.24888	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+Na+CF3COOH"	136.98208
"1573311"	611.22282	"C08182"	"Prednisolone tebutate;Prednisolone butyl acetete"	"C27H38O6"	"458.2668"	"M+K+CF3COOH"	152.95602
"803675"	434.2105	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M"	0
"978302"	415.19211	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-H2O-H"	-19.01839
"69829"	288.466390666667	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M-3H"	-3.021828
"516685"	433.203224	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M-3H"	-3.021828
"893758"	143.729557333333	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-3H"	-3.021828
"12333"	433.203224	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M-2H"	-2.014552
"451893"	650.308474	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M-2H"	-2.014552
"828601"	216.097974	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-2H"	-2.014552
"92849"	867.413724	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M-H"	-1.007276
"533381"	1301.624224	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M-H"	-1.007276
"909238"	433.203224	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-H"	-1.007276
"59240"	884.440271	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M-2H+NH4"	16.019271
"498800"	1318.650771	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M-2H+NH4"	16.019271
"874415"	450.229771	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-2H+NH4"	16.019271
"41222"	889.395666	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M-2H+Na"	20.974666
"480783"	1323.606166	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M-2H+Na"	20.974666
"856399"	455.185166	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-2H+Na"	20.974666
"1620461"	455.185166	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Na-2H"	20.974666
"100269"	451.191563	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M-H+Cl"	33.962126
"534803"	668.296813	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M-H+Cl"	33.962126
"927512"	234.086313	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-H+Cl"	33.962126
"268254"	903.390402	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+Cl"	34.969402
"660913"	1337.600902	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+Cl"	34.969402
"1273198"	469.179902	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Cl"	34.969402
"16239"	905.369606	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M-2H+K"	36.948606
"456286"	1339.580106	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M-2H+K"	36.948606
"839934"	471.159106	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-2H+K"	36.948606
"1564515"	471.159106	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+K-2H"	36.948606
"951306"	479.208694	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-H+HCOOH"	44.998194
"370613"	913.419201	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+HCOOH-H"	44.998201
"351218"	927.434851	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+Hac-H"	59.013851
"1502238"	493.224351	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Hac-H"	59.013851
"966497"	501.190651	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-H+NaCOOH"	66.980151
"116497"	469.179902	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+2Cl"	69.938804
"562621"	686.285152	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+2Cl"	69.938804
"1031783"	252.074652	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2Cl"	69.938804
"1245163"	513.129385	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Br"	78.918885
"1305788"	515.185372	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Cl+HCOOH"	80.974872
"1322922"	537.167329	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Cl+NaCOOH"	102.956829
"913978"	547.196086	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M-H+CF3COOH"	112.985586
"1290076"	583.172764	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Cl+CF3COOH"	148.962264
"1368844"	399.197824	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H-2H2O"	-35.012676
"1384510"	417.2078	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H-H2O"	-17.0027
"283834"	869.428276	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+H"	1.007276
"676864"	1303.638776	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+H"	1.007276
"1351997"	435.217776	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H"	1.007276
"126221"	435.217776	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+2H"	2.014552
"566282"	652.323026	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+2H"	2.014552
"1037634"	218.112526	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2H"	2.014552
"204560"	290.480942666667	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+3H"	3.021828
"645339"	435.217776	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+3H"	3.021828
"1163578"	145.744109333333	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+3H"	3.021828
"425759"	886.454823	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+NH4"	18.033823
"787118"	1320.665323	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+NH4"	18.033823
"1683083"	452.244323	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+NH4"	18.033823
"331002"	443.7310495	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+H+NH4"	19.041099
"724763"	660.8362995	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+H+NH4"	19.041099
"1478584"	226.6257995	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H+NH4"	19.041099
"393377"	891.410218	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+Na"	22.989218
"755341"	1325.620718	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+Na"	22.989218
"1605270"	457.199718	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Na"	22.989218
"324786"	446.208747	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+H+Na"	23.996494
"718302"	663.313997	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+H+Na"	23.996494
"1475403"	229.103497	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H+Na"	23.996494
"1064275"	153.071423333333	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2H+Na"	25.00377
"1269237"	467.243986	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+CH3OH+H"	33.033486
"390727"	907.384158	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+K"	38.963158
"750995"	1341.594658	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+K"	38.963158
"1553053"	473.173658	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+K"	38.963158
"312052"	454.195717	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+H+K"	39.970434
"705934"	671.300967	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+H+K"	39.970434
"1460727"	237.090467	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H+K"	39.970434
"248719"	910.454826	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+ACN+H"	42.033826
"1222157"	476.244326	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+ACN+H"	42.033826
"1208232"	238.625801	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+ACN+2H"	43.041102
"201829"	913.39216	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+2Na-H"	44.97116
"640659"	1347.60266	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+2Na-H"	44.97116
"1140885"	479.18166	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2Na-H"	44.97116
"180895"	457.199718	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+2Na"	45.978436
"618272"	674.304968	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+2Na"	45.978436
"1121778"	240.094468	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2Na"	45.978436
"1404208"	160.398737333333	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H+2Na"	46.985712
"1435230"	481.223246	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H+HCOOH"	47.012746
"227112"	462.23274	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+3H2O+2H"	56.04448
"1517360"	495.27529	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+IsoProp+H"	61.06479
"411578"	465.186688	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+Na+K"	61.952376
"775853"	682.291938	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+Na+K"	61.952376
"1667076"	248.081438	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Na+K"	61.952376
"253110"	932.436768	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+ACN+Na"	64.015768
"1226066"	498.226268	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+ACN+Na"	64.015768
"1712909"	498.249793	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+NH4+HCOOH"	64.039293
"1178647"	167.726051333333	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+3Na"	68.967654
"1653367"	503.205188	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Na+HCOOH"	68.994688
"164604"	945.34004	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+2K-H"	76.91904
"599790"	1379.55054	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+2K-H"	76.91904
"1088679"	511.12954	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2K-H"	76.91904
"144402"	473.173658	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"2M+2K"	77.926316
"585059"	690.278908	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"3M+2K"	77.926316
"1078318"	256.068408	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2K"	77.926316
"1109341"	513.144092	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2K+H"	78.933592
"1344634"	513.231707	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+DMSO+H"	79.021207
"1018268"	517.270876	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2ACN+H"	83.060376
"1536759"	518.264508	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+IsoProp+Na+H"	84.054008
"1001019"	259.139076	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+2ACN+2H"	84.067652
"1590055"	519.179128	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+K+HCOOH"	84.968628
"1416810"	549.210638	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+H+CF3COOH"	115.000138
"1158035"	279.652351	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+3ACN+2H"	125.094202
"1709772"	566.237185	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+NH4+CF3COOH"	132.026685
"1638864"	571.19258	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+Na+CF3COOH"	136.98208
"1573421"	587.16652	"C08183"	"Triamcinolone acetonide"	"C24H31FO6"	"434.2105"	"M+K+CF3COOH"	152.95602
"802203"	478.2003	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M"	0
"978412"	459.18191	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-H2O-H"	-19.01839
"69939"	317.792924	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M-3H"	-3.021828
"516794"	477.193024	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M-3H"	-3.021828
"892410"	158.392824	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-3H"	-3.021828
"8068"	477.193024	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M-2H"	-2.014552
"448721"	716.293174	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M-2H"	-2.014552
"824338"	238.092874	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-2H"	-2.014552
"79954"	955.393324	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M-H"	-1.007276
"527170"	1433.593624	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M-H"	-1.007276
"908253"	477.193024	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-H"	-1.007276
"53881"	972.419871	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M-2H+NH4"	16.019271
"495628"	1450.620171	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M-2H+NH4"	16.019271
"874889"	494.219571	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-2H+NH4"	16.019271
"40239"	977.375266	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M-2H+Na"	20.974666
"480891"	1455.575566	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M-2H+Na"	20.974666
"852133"	499.174966	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-2H+Na"	20.974666
"1619110"	499.174966	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Na-2H"	20.974666
"95399"	495.181363	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M-H+Cl"	33.962126
"536174"	734.281513	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M-H+Cl"	33.962126
"928231"	256.081213	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-H+Cl"	33.962126
"268246"	991.370002	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+Cl"	34.969402
"660455"	1469.570302	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+Cl"	34.969402
"1273306"	513.169702	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Cl"	34.969402
"16598"	993.349206	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M-2H+K"	36.948606
"465157"	1471.549506	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M-2H+K"	36.948606
"843326"	515.148906	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-2H+K"	36.948606
"1566813"	515.148906	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+K-2H"	36.948606
"952510"	523.198494	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-H+HCOOH"	44.998194
"370359"	1001.398801	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+HCOOH-H"	44.998201
"353149"	1015.414451	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+Hac-H"	59.013851
"1501984"	537.214151	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Hac-H"	59.013851
"966608"	545.180451	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-H+NaCOOH"	66.980151
"114422"	513.169702	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+2Cl"	69.938804
"561274"	752.269852	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+2Cl"	69.938804
"1025693"	274.069552	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2Cl"	69.938804
"1243813"	557.119185	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Br"	78.918885
"1305895"	559.175172	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Cl+HCOOH"	80.974872
"1321325"	581.157129	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Cl+NaCOOH"	102.956829
"912992"	591.185886	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M-H+CF3COOH"	112.985586
"1290063"	627.162564	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Cl+CF3COOH"	148.962264
"1367250"	443.187624	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H-2H2O"	-35.012676
"1383412"	461.1976	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H-H2O"	-17.0027
"283828"	957.407876	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+H"	1.007276
"675880"	1435.608176	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+H"	1.007276
"1352232"	479.207576	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H"	1.007276
"125767"	479.207576	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+2H"	2.014552
"566874"	718.307726	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+2H"	2.014552
"1037988"	240.107426	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2H"	2.014552
"204418"	319.807476	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+3H"	3.021828
"645566"	479.207576	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+3H"	3.021828
"1163080"	160.407376	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+3H"	3.021828
"424531"	974.434423	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+NH4"	18.033823
"785849"	1452.634723	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+NH4"	18.033823
"1681493"	496.234123	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+NH4"	18.033823
"330130"	487.7208495	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+H+NH4"	19.041099
"723414"	726.8209995	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+H+NH4"	19.041099
"1477961"	248.6206995	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H+NH4"	19.041099
"393443"	979.389818	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+Na"	22.989218
"762386"	1457.590118	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+Na"	22.989218
"1613765"	501.189518	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Na"	22.989218
"323804"	490.198547	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+H+Na"	23.996494
"716227"	729.298697	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+H+Na"	23.996494
"1473330"	251.098397	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H+Na"	23.996494
"1067306"	167.73469	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2H+Na"	25.00377
"1269349"	511.233786	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+CH3OH+H"	33.033486
"384641"	995.363758	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+K"	38.963158
"750012"	1473.564058	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+K"	38.963158
"1552071"	517.163458	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+K"	38.963158
"311433"	498.185517	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+H+K"	39.970434
"704220"	737.285667	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+H+K"	39.970434
"1459499"	259.085367	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H+K"	39.970434
"247370"	998.434426	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+ACN+H"	42.033826
"1220080"	520.234126	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+ACN+H"	42.033826
"1208340"	260.620701	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+ACN+2H"	43.041102
"202667"	1001.37176	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+2Na-H"	44.97116
"640769"	1479.57206	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+2Na-H"	44.97116
"1139902"	523.17146	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2Na-H"	44.97116
"174809"	501.189518	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+2Na"	45.978436
"622754"	740.289668	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+2Na"	45.978436
"1118605"	262.089368	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2Na"	45.978436
"1405409"	175.062004	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H+2Na"	46.985712
"1435340"	525.213046	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H+HCOOH"	47.012746
"225034"	506.22254	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+3H2O+2H"	56.04448
"1512002"	539.26509	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+IsoProp+H"	61.06479
"410594"	509.176488	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+Na+K"	61.952376
"771589"	748.276638	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+Na+K"	61.952376
"1668281"	270.076338	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Na+K"	61.952376
"251760"	1020.416368	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+ACN+Na"	64.015768
"1228605"	542.216068	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+ACN+Na"	64.015768
"1713480"	542.239593	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+NH4+HCOOH"	64.039293
"1184680"	182.389318	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+3Na"	68.967654
"1654572"	547.194988	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Na+HCOOH"	68.994688
"169089"	1033.31964	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+2K-H"	76.91904
"606462"	1511.51994	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+2K-H"	76.91904
"1092069"	555.11934	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2K-H"	76.91904
"144512"	517.163458	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"2M+2K"	77.926316
"585169"	756.263608	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"3M+2K"	77.926316
"1078428"	278.063308	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2K"	77.926316
"1102892"	557.133892	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2K+H"	78.933592
"1341465"	557.221507	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+DMSO+H"	79.021207
"1013273"	561.260676	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2ACN+H"	83.060376
"1533588"	562.254308	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+IsoProp+Na+H"	84.054008
"990557"	281.133976	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+2ACN+2H"	84.067652
"1589075"	563.168928	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+K+HCOOH"	84.968628
"1425670"	593.200438	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+H+CF3COOH"	115.000138
"1153772"	301.647251	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+3ACN+2H"	125.094202
"1711950"	610.226985	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+NH4+CF3COOH"	132.026685
"1646628"	615.18238	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+Na+CF3COOH"	136.98208
"1572437"	631.15632	"C08184"	"Triamcinolone diacetate"	"C25H31FO8"	"478.2003"	"M+K+CF3COOH"	152.95602
"803895"	532.2836	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M"	0
"978522"	513.26521	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-H2O-H"	-19.01839
"70049"	353.848457333333	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M-3H"	-3.021828
"515809"	531.276324	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M-3H"	-3.021828
"891791"	176.420590666667	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-3H"	-3.021828
"10365"	531.276324	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M-2H"	-2.014552
"449924"	797.418124	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M-2H"	-2.014552
"827728"	265.134524	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-2H"	-2.014552
"84440"	1063.559924	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M-H"	-1.007276
"527282"	1595.843524	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M-H"	-1.007276
"905085"	531.276324	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-H"	-1.007276
"56179"	1080.586471	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M-2H+NH4"	16.019271
"494645"	1612.870071	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M-2H+NH4"	16.019271
"872447"	548.302871	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-2H+NH4"	16.019271
"39255"	1085.541866	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M-2H+Na"	20.974666
"479908"	1617.825466	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M-2H+Na"	20.974666
"851514"	553.258266	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-2H+Na"	20.974666
"1619221"	553.258266	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Na-2H"	20.974666
"95144"	549.264663	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M-H+Cl"	33.962126
"534699"	815.406463	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M-H+Cl"	33.962126
"927322"	283.122863	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-H+Cl"	33.962126
"267740"	1099.536602	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+Cl"	34.969402
"660527"	1631.820202	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+Cl"	34.969402
"1272845"	567.253002	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Cl"	34.969402
"17075"	1101.515806	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M-2H+K"	36.948606
"455937"	1633.799406	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M-2H+K"	36.948606
"844529"	569.232206	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-2H+K"	36.948606
"1566923"	569.232206	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+K-2H"	36.948606
"951528"	577.281794	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-H+HCOOH"	44.998194
"365729"	1109.565401	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+HCOOH-H"	44.998201
"351436"	1123.581051	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+Hac-H"	59.013851
"1502458"	591.297451	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Hac-H"	59.013851
"967810"	599.263751	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-H+NaCOOH"	66.980151
"114531"	567.253002	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+2Cl"	69.938804
"557373"	833.394802	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+2Cl"	69.938804
"1022521"	301.111202	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2Cl"	69.938804
"1241408"	611.202485	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Br"	78.918885
"1306370"	613.258472	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Cl+HCOOH"	80.974872
"1320585"	635.240429	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Cl+NaCOOH"	102.956829
"914195"	645.269186	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M-H+CF3COOH"	112.985586
"1288467"	681.245864	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Cl+CF3COOH"	148.962264
"1367087"	497.270924	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H-2H2O"	-35.012676
"1382913"	515.2809	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H-H2O"	-17.0027
"284425"	1065.574476	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+H"	1.007276
"675829"	1597.858076	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+H"	1.007276
"1351422"	533.290876	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H"	1.007276
"125931"	533.290876	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+2H"	2.014552
"566503"	799.432676	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+2H"	2.014552
"1038098"	267.149076	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2H"	2.014552
"204298"	355.863009333333	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+3H"	3.021828
"644464"	533.290876	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+3H"	3.021828
"1163189"	178.435142666667	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+3H"	3.021828
"424253"	1082.601023	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+NH4"	18.033823
"785708"	1614.884623	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+NH4"	18.033823
"1681526"	550.317423	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+NH4"	18.033823
"330496"	541.8041495	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+H+NH4"	19.041099
"724619"	807.9459495	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+H+NH4"	19.041099
"1477468"	275.6623495	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H+NH4"	19.041099
"394083"	1087.556418	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+Na"	22.989218
"762496"	1619.840018	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+Na"	22.989218
"1613875"	555.272818	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Na"	22.989218
"325007"	544.281847	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+H+Na"	23.996494
"716337"	810.423647	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+H+Na"	23.996494
"1473440"	278.140047	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H+Na"	23.996494
"1065592"	185.762456666667	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2H+Na"	25.00377
"1268365"	565.317086	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+CH3OH+H"	33.033486
"382564"	1103.530358	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+K"	38.963158
"752308"	1635.813958	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+K"	38.963158
"1551088"	571.246758	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+K"	38.963158
"309357"	552.268817	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+H+K"	39.970434
"704330"	818.410617	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+H+K"	39.970434
"1458516"	286.127017	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H+K"	39.970434
"248573"	1106.601026	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+ACN+H"	42.033826
"1220919"	574.317426	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+ACN+H"	42.033826
"1207719"	287.662351	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+ACN+2H"	43.041102
"202048"	1109.53836	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+2Na-H"	44.97116
"639786"	1641.82196	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+2Na-H"	44.97116
"1137827"	577.25476	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2Na-H"	44.97116
"180022"	555.272818	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+2Na"	45.978436
"620678"	821.414618	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+2Na"	45.978436
"1124182"	289.131018	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2Na"	45.978436
"1406615"	193.089770666667	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H+2Na"	46.985712
"1439824"	579.296346	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H+HCOOH"	47.012746
"227331"	560.30584	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+3H2O+2H"	56.04448
"1513207"	593.34839	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+IsoProp+H"	61.06479
"417266"	563.259788	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+Na+K"	61.952376
"779354"	829.401588	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+Na+K"	61.952376
"1671312"	297.117988	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Na+K"	61.952376
"253210"	1128.582968	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+ACN+Na"	64.015768
"1226524"	596.299368	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+ACN+Na"	64.015768
"1714318"	596.322893	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+NH4+HCOOH"	64.039293
"1183696"	200.417084666667	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+3Na"	68.967654
"1653588"	601.278288	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Na+HCOOH"	68.994688
"167012"	1141.48624	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+2K-H"	76.91904
"605478"	1673.76984	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+2K-H"	76.91904
"1092179"	609.20264	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2K-H"	76.91904
"144618"	571.246758	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"2M+2K"	77.926316
"583092"	837.388558	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"3M+2K"	77.926316
"1079631"	305.104958	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2K"	77.926316
"1104094"	611.217192	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2K+H"	78.933592
"1343760"	611.304807	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+DMSO+H"	79.021207
"1013383"	615.343976	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2ACN+H"	83.060376
"1529324"	616.337608	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+IsoProp+Na+H"	84.054008
"990297"	308.175626	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+2ACN+2H"	84.067652
"1589185"	617.252228	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+K+HCOOH"	84.968628
"1423593"	647.283738	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+H+CF3COOH"	115.000138
"1159349"	328.688901	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+3ACN+2H"	125.094202
"1711454"	664.310285	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+NH4+CF3COOH"	132.026685
"1647830"	669.26568	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+Na+CF3COOH"	136.98208
"1575827"	685.23962	"C08185"	"Triamcinolone hexacetonide"	"C30H41FO7"	"532.2836"	"M+K+CF3COOH"	152.95602
"801430"	422.2105	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M"	0
"978632"	403.19211	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-H2O-H"	-19.01839
"69065"	280.466390666667	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M-3H"	-3.021828
"515189"	421.203224	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M-3H"	-3.021828
"890805"	139.729557333333	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-3H"	-3.021828
"8289"	421.203224	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M-2H"	-2.014552
"446755"	632.308474	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M-2H"	-2.014552
"824558"	210.097974	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-2H"	-2.014552
"84914"	843.413724	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M-H"	-1.007276
"527391"	1265.624224	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M-H"	-1.007276
"905194"	421.203224	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-H"	-1.007276
"51915"	860.440271	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M-2H+NH4"	16.019271
"489651"	1282.650771	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M-2H+NH4"	16.019271
"871464"	438.229771	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-2H+NH4"	16.019271
"37179"	865.395666	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M-2H+Na"	20.974666
"477831"	1287.606166	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M-2H+Na"	20.974666
"850166"	443.185166	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-2H+Na"	20.974666
"1618963"	443.185166	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Na-2H"	20.974666
"94560"	439.191563	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M-H+Cl"	33.962126
"536149"	650.296813	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M-H+Cl"	33.962126
"927263"	228.086313	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-H+Cl"	33.962126
"267176"	879.390402	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+Cl"	34.969402
"660268"	1301.600902	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+Cl"	34.969402
"1273239"	457.179902	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Cl"	34.969402
"17064"	881.369606	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M-2H+K"	36.948606
"455831"	1303.580106	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M-2H+K"	36.948606
"843546"	459.159106	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-2H+K"	36.948606
"1567033"	459.159106	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+K-2H"	36.948606
"951638"	467.208694	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-H+HCOOH"	44.998194
"365475"	889.419201	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+HCOOH-H"	44.998201
"349360"	903.434851	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+Hac-H"	59.013851
"1502568"	481.224351	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Hac-H"	59.013851
"963548"	489.190651	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-H+NaCOOH"	66.980151
"112453"	457.179902	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+2Cl"	69.938804
"557483"	668.285152	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+2Cl"	69.938804
"1022267"	246.074652	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2Cl"	69.938804
"1241561"	501.129385	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Br"	78.918885
"1305387"	503.185372	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Cl+HCOOH"	80.974872
"1320695"	525.167329	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Cl+NaCOOH"	102.956829
"912483"	535.196086	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M-H+CF3COOH"	112.985586
"1288701"	571.172764	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Cl+CF3COOH"	148.962264
"1367835"	387.197824	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H-2H2O"	-35.012676
"1383143"	405.2078	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H-H2O"	-17.0027
"283684"	845.428276	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+H"	1.007276
"676469"	1267.638776	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+H"	1.007276
"1351727"	423.217776	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H"	1.007276
"125951"	423.217776	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+2H"	2.014552
"566491"	634.323026	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+2H"	2.014552
"1038087"	212.112526	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2H"	2.014552
"204638"	282.480942666667	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+3H"	3.021828
"645302"	423.217776	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+3H"	3.021828
"1164151"	141.744109333333	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+3H"	3.021828
"424426"	862.454823	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+NH4"	18.033823
"785751"	1284.665323	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+NH4"	18.033823
"1681474"	440.244323	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+NH4"	18.033823
"330006"	431.7310495	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+H+NH4"	19.041099
"725094"	642.8362995	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+H+NH4"	19.041099
"1477942"	220.6257995	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H+NH4"	19.041099
"394315"	867.410218	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+Na"	22.989218
"759326"	1289.620718	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+Na"	22.989218
"1612893"	445.199718	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Na"	22.989218
"320742"	434.208747	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+H+Na"	23.996494
"718632"	645.313997	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+H+Na"	23.996494
"1473550"	223.103497	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H+Na"	23.996494
"1062422"	149.071423333333	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2H+Na"	25.00377
"1264099"	455.243986	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+CH3OH+H"	33.033486
"384859"	883.384158	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+K"	38.963158
"752418"	1305.594658	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+K"	38.963158
"1551564"	461.173658	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+K"	38.963158
"309467"	442.195717	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+H+K"	39.970434
"701888"	653.300967	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+H+K"	39.970434
"1458990"	231.090467	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H+K"	39.970434
"247591"	886.454826	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+ACN+H"	42.033826
"1220300"	464.244326	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+ACN+H"	42.033826
"1207830"	232.625801	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+ACN+2H"	43.041102
"201794"	889.39216	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+2Na-H"	44.97116
"633336"	1311.60266	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+2Na-H"	44.97116
"1132832"	467.18166	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2Na-H"	44.97116
"182319"	445.199718	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+2Na"	45.978436
"617871"	656.304968	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+2Na"	45.978436
"1122105"	234.094468	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2Na"	45.978436
"1403444"	156.398737333333	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H+2Na"	46.985712
"1432644"	469.223246	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H+HCOOH"	47.012746
"224161"	450.23274	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+3H2O+2H"	56.04448
"1513318"	483.27529	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+IsoProp+H"	61.06479
"412638"	453.186688	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+Na+K"	61.952376
"779464"	664.291938	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+Na+K"	61.952376
"1669233"	242.081438	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Na+K"	61.952376
"252469"	908.436768	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+ACN+Na"	64.015768
"1225905"	486.226268	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+ACN+Na"	64.015768
"1712971"	486.249793	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+NH4+HCOOH"	64.039293
"1182713"	163.726051333333	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+3Na"	68.967654
"1653698"	491.205188	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Na+HCOOH"	68.994688
"163842"	921.34004	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+2K-H"	76.91904
"605588"	1343.55054	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+2K-H"	76.91904
"1089009"	499.12954	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2K-H"	76.91904
"143635"	461.173658	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"2M+2K"	77.926316
"585387"	672.278908	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"3M+2K"	77.926316
"1072447"	250.068408	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2K"	77.926316
"1107483"	501.144092	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2K+H"	78.933592
"1343868"	501.231707	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+DMSO+H"	79.021207
"1012400"	505.270876	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2ACN+H"	83.060376
"1533806"	506.264508	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+IsoProp+Na+H"	84.054008
"993693"	253.139076	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+2ACN+2H"	84.067652
"1590388"	507.179128	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+K+HCOOH"	84.968628
"1423703"	537.210638	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+H+CF3COOH"	115.000138
"1159459"	273.652351	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+3ACN+2H"	125.094202
"1711199"	554.237185	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+NH4+CF3COOH"	132.026685
"1647940"	559.19258	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+Na+CF3COOH"	136.98208
"1574844"	575.16652	"C08186"	"Fludrocortisone acetate"	"C23H31FO6"	"422.2105"	"M+K+CF3COOH"	152.95602
"802292"	451.2947	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M"	0
"977649"	432.27631	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-H2O-H"	-19.01839
"69175"	299.855857333333	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M-3H"	-3.021828
"512016"	450.287424	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M-3H"	-3.021828
"885446"	149.424290666667	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-3H"	-3.021828
"8395"	450.287424	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M-2H"	-2.014552
"446865"	675.934774	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M-2H"	-2.014552
"822481"	224.640074	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-2H"	-2.014552
"84660"	901.582124	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M-H"	-1.007276
"527501"	1352.876824	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M-H"	-1.007276
"904210"	450.287424	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-H"	-1.007276
"50931"	918.608671	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M-2H+NH4"	16.019271
"490490"	1369.903371	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M-2H+NH4"	16.019271
"869386"	467.313971	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-2H+NH4"	16.019271
"34006"	923.564066	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M-2H+Na"	20.974666
"476847"	1374.858766	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M-2H+Na"	20.974666
"850275"	472.269366	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-2H+Na"	20.974666
"1618556"	472.269366	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Na-2H"	20.974666
"94423"	468.275763	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M-H+Cl"	33.962126
"534513"	693.923113	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M-H+Cl"	33.962126
"927370"	242.628413	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-H+Cl"	33.962126
"267165"	937.558802	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+Cl"	34.969402
"659949"	1388.853502	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+Cl"	34.969402
"1272815"	486.264102	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Cl"	34.969402
"15790"	939.538006	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M-2H+K"	36.948606
"455995"	1390.832706	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M-2H+K"	36.948606
"837095"	488.243306	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-2H+K"	36.948606
"1557301"	488.243306	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+K-2H"	36.948606
"946280"	496.292894	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-H+HCOOH"	44.998194
"364127"	947.587601	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+HCOOH-H"	44.998201
"346185"	961.603251	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+Hac-H"	59.013851
"1494290"	510.308551	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Hac-H"	59.013851
"962926"	518.274851	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-H+NaCOOH"	66.980151
"112561"	486.264102	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+2Cl"	69.938804
"554313"	711.911452	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+2Cl"	69.938804
"1023106"	260.616752	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2Cl"	69.938804
"1241336"	530.213585	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Br"	78.918885
"1304203"	532.269572	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Cl+HCOOH"	80.974872
"1319985"	554.251529	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Cl+NaCOOH"	102.956829
"911818"	564.280286	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M-H+CF3COOH"	112.985586
"1288604"	600.256964	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Cl+CF3COOH"	148.962264
"1367496"	416.282024	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H-2H2O"	-35.012676
"1383495"	434.292	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H-H2O"	-17.0027
"283916"	903.596676	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+H"	1.007276
"676087"	1354.891376	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+H"	1.007276
"1351753"	452.301976	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H"	1.007276
"126422"	452.301976	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+2H"	2.014552
"567331"	677.949326	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+2H"	2.014552
"1039777"	226.654626	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2H"	2.014552
"205238"	301.870409333333	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+3H"	3.021828
"645779"	452.301976	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+3H"	3.021828
"1164624"	151.438842666667	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+3H"	3.021828
"424741"	920.623223	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+NH4"	18.033823
"786346"	1371.917923	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+NH4"	18.033823
"1682920"	469.328523	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+NH4"	18.033823
"330590"	460.8152495	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+H+NH4"	19.041099
"723743"	686.4625995	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+H+NH4"	19.041099
"1479024"	235.1678995	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H+NH4"	19.041099
"394180"	925.578618	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+Na"	22.989218
"758342"	1376.873318	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+Na"	22.989218
"1608628"	474.283918	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Na"	22.989218
"320852"	463.292947	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+H+Na"	23.996494
"714367"	688.940297	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+H+Na"	23.996494
"1473660"	237.645597	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H+Na"	23.996494
"1058155"	158.766156666667	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2H+Na"	25.00377
"1263114"	484.328186	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+CH3OH+H"	33.033486
"379865"	941.552558	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+K"	38.963158
"743780"	1392.847258	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+K"	38.963158
"1546932"	490.257858	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+K"	38.963158
"307389"	471.279917	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+H+K"	39.970434
"698718"	696.927267	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+H+K"	39.970434
"1453631"	245.632567	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H+K"	39.970434
"246607"	944.623226	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+ACN+H"	42.033826
"1216036"	493.328526	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+ACN+H"	42.033826
"1206117"	247.167901	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+ACN+2H"	43.041102
"199351"	947.56056	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+2Na-H"	44.97116
"633446"	1398.85526	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+2Na-H"	44.97116
"1131475"	496.26586	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2Na-H"	44.97116
"176596"	474.283918	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+2Na"	45.978436
"613605"	699.931268	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+2Na"	45.978436
"1116383"	248.636568	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2Na"	45.978436
"1401001"	166.093470666667	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H+2Na"	46.985712
"1431660"	498.307446	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H+HCOOH"	47.012746
"220296"	479.31694	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+3H2O+2H"	56.04448
"1513428"	512.35949	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+IsoProp+H"	61.06479
"409831"	482.270888	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+Na+K"	61.952376
"772284"	707.918238	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+Na+K"	61.952376
"1666085"	256.623538	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Na+K"	61.952376
"251965"	966.605168	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+ACN+Na"	64.015768
"1226174"	515.310468	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+ACN+Na"	64.015768
"1713160"	515.333993	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+NH4+HCOOH"	64.039293
"1178607"	173.420784666667	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+3Na"	68.967654
"1650159"	520.289388	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Na+HCOOH"	68.994688
"165044"	979.50844	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+2K-H"	76.91904
"601687"	1430.80314	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+2K-H"	76.91904
"1090212"	528.21374	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2K-H"	76.91904
"143381"	490.257858	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"2M+2K"	77.926316
"585497"	715.905208	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"3M+2K"	77.926316
"1071829"	264.610508	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2K"	77.926316
"1102126"	530.228292	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2K+H"	78.933592
"1338511"	530.315907	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+DMSO+H"	79.021207
"1010323"	534.355076	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2ACN+H"	83.060376
"1529542"	535.348708	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+IsoProp+Na+H"	84.054008
"992710"	267.681176	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+2ACN+2H"	84.067652
"1590498"	536.263328	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+K+HCOOH"	84.968628
"1423813"	566.294838	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+H+CF3COOH"	115.000138
"1160662"	288.194451	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+3ACN+2H"	125.094202
"1712402"	583.321385	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+NH4+CF3COOH"	132.026685
"1646957"	588.27678	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+Na+CF3COOH"	136.98208
"1574954"	604.25072	"C08187"	"Cabergoline"	"C26H37N5O2"	"451.2947"	"M+K+CF3COOH"	152.95602
"806412"	3355.8187	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M"	0
"984324"	3336.80031	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-H2O-H"	-19.01839
"66004"	2236.20519066667	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M-3H"	-3.021828
"504470"	3354.811424	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M-3H"	-3.021828
"884460"	1117.59895733333	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-3H"	-3.021828
"6317"	3354.811424	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M-2H"	-2.014552
"446976"	5032.720774	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M-2H"	-2.014552
"819310"	1676.902074	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-2H"	-2.014552
"81489"	6710.630124	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M-H"	-1.007276
"519465"	10066.448824	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M-H"	-1.007276
"906507"	3354.811424	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-H"	-1.007276
"57601"	6727.656671	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M-2H+NH4"	16.019271
"494973"	10083.475371	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M-2H+NH4"	16.019271
"871686"	3371.837971	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-2H+NH4"	16.019271
"38489"	6732.612066	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M-2H+Na"	20.974666
"476957"	10088.430766	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M-2H+Na"	20.974666
"850019"	3376.793366	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-2H+Na"	20.974666
"1618818"	3376.793366	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Na-2H"	20.974666
"94536"	3372.799763	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M-H+Cl"	33.962126
"537098"	5050.709113	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M-H+Cl"	33.962126
"927446"	1694.890413	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-H+Cl"	33.962126
"267701"	6746.606802	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+Cl"	34.969402
"660734"	10102.425502	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+Cl"	34.969402
"1273256"	3390.788102	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Cl"	34.969402
"16227"	6748.586006	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M-2H+K"	36.948606
"456274"	10104.404706	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M-2H+K"	36.948606
"836471"	3392.767306	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-2H+K"	36.948606
"1558866"	3392.767306	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+K-2H"	36.948606
"944197"	3400.816894	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-H+HCOOH"	44.998194
"361488"	6756.635601	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+HCOOH-H"	44.998201
"346662"	6770.651251	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+Hac-H"	59.013851
"1494400"	3414.832551	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Hac-H"	59.013851
"960116"	3422.798851	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-H+NaCOOH"	66.980151
"110357"	3390.788102	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+2Cl"	69.938804
"551501"	5068.697452	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+2Cl"	69.938804
"1024312"	1712.878752	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2Cl"	69.938804
"1242430"	3434.737585	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Br"	78.918885
"1304552"	3436.793572	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Cl+HCOOH"	80.974872
"1322013"	3458.775529	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Cl+NaCOOH"	102.956829
"911973"	3468.804286	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M-H+CF3COOH"	112.985586
"1288537"	3504.780964	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Cl+CF3COOH"	148.962264
"1367241"	3320.806024	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H-2H2O"	-35.012676
"1382914"	3338.816	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H-H2O"	-17.0027
"283168"	6712.644676	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+H"	1.007276
"675723"	10068.463376	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+H"	1.007276
"1351358"	3356.825976	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H"	1.007276
"127517"	3356.825976	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+2H"	2.014552
"569267"	5034.735326	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+2H"	2.014552
"1037452"	1678.916626	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2H"	2.014552
"204623"	2238.21974266667	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+3H"	3.021828
"644342"	3356.825976	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+3H"	3.021828
"1162874"	1119.61350933333	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+3H"	3.021828
"424522"	6729.671223	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+NH4"	18.033823
"786207"	10085.489923	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+NH4"	18.033823
"1681611"	3373.852523	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+NH4"	18.033823
"330216"	3365.3392495	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+H+NH4"	19.041099
"723487"	5043.2485995	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+H+NH4"	19.041099
"1479133"	1687.4298995	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H+NH4"	19.041099
"393681"	6734.626618	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+Na"	22.989218
"754677"	10090.445318	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+Na"	22.989218
"1603993"	3378.807918	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Na"	22.989218
"315489"	3367.816947	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+H+Na"	23.996494
"710102"	5045.726297	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+H+Na"	23.996494
"1463192"	1689.907597	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H+Na"	23.996494
"1059355"	1126.94082333333	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2H+Na"	25.00377
"1265409"	3388.852186	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+CH3OH+H"	33.033486
"381794"	6750.600558	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+K"	38.963158
"749359"	10106.419258	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+K"	38.963158
"1549227"	3394.781858	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+K"	38.963158
"308589"	3375.803917	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+H+K"	39.970434
"699920"	5053.713267	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+H+K"	39.970434
"1455926"	1697.894567	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H+K"	39.970434
"241248"	6753.671226	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+ACN+H"	42.033826
"1215049"	3397.852526	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+ACN+H"	42.033826
"1198933"	1699.429901	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+ACN+2H"	43.041102
"193266"	6756.60856	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+2Na-H"	44.97116
"630639"	10112.42726	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+2Na-H"	44.97116
"1132320"	3400.78986	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2Na-H"	44.97116
"173463"	3378.807918	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+2Na"	45.978436
"613389"	5056.717268	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+2Na"	45.978436
"1116247"	1700.898568	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2Na"	45.978436
"1399164"	1134.26813733333	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H+2Na"	46.985712
"1433957"	3402.831446	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H+HCOOH"	47.012746
"224014"	3383.84094	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+3H2O+2H"	56.04448
"1510983"	3416.88349	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+IsoProp+H"	61.06479
"409210"	3386.794888	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+Na+K"	61.952376
"770358"	5064.704238	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+Na+K"	61.952376
"1666162"	1708.885538	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Na+K"	61.952376
"251484"	6775.653168	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+ACN+Na"	64.015768
"1225722"	3419.834468	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+ACN+Na"	64.015768
"1713024"	3419.857993	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+NH4+HCOOH"	64.039293
"1180129"	1141.59545133333	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+3Na"	68.967654
"1651843"	3424.813388	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Na+HCOOH"	68.994688
"161872"	6788.55644	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+2K-H"	76.91904
"602532"	10144.37514	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+2K-H"	76.91904
"1086674"	3432.73774	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2K-H"	76.91904
"144953"	3394.781858	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"2M+2K"	77.926316
"584513"	5072.691208	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"3M+2K"	77.926316
"1071214"	1716.872508	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2K"	77.926316
"1107702"	3434.752292	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2K+H"	78.933592
"1338619"	3434.839907	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+DMSO+H"	79.021207
"1008242"	3438.879076	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2ACN+H"	83.060376
"1528557"	3439.872708	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+IsoProp+Na+H"	84.054008
"990509"	1719.943176	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+2ACN+2H"	84.067652
"1587279"	3440.787328	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+K+HCOOH"	84.968628
"1415537"	3470.818838	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+H+CF3COOH"	115.000138
"1157490"	1740.456451	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+3ACN+2H"	125.094202
"1701575"	3487.845385	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+NH4+CF3COOH"	132.026685
"1647067"	3492.80078	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+Na+CF3COOH"	136.98208
"1573971"	3508.77472	"C08192"	"Sermorelin"	"C149H246N44O42S"	"3355.8187"	"M+K+CF3COOH"	152.95602
"816367"	391.9993	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M"	0
"986986"	372.98091	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-H2O-H"	-19.01839
"68302"	260.325590666667	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M-3H"	-3.021828
"514426"	390.992024	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M-3H"	-3.021828
"892229"	129.659157333333	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-3H"	-3.021828
"14814"	390.992024	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M-2H"	-2.014552
"450366"	586.991674	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M-2H"	-2.014552
"824889"	194.992374	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-2H"	-2.014552
"89255"	782.991324	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M-H"	-1.007276
"524442"	1174.990624	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M-H"	-1.007276
"902242"	390.992024	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-H"	-1.007276
"51152"	800.017871	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M-2H+NH4"	16.019271
"491806"	1192.017171	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M-2H+NH4"	16.019271
"869607"	408.018571	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-2H+NH4"	16.019271
"39697"	804.973266	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M-2H+Na"	20.974666
"472694"	1196.972566	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M-2H+Na"	20.974666
"858150"	412.973966	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-2H+Na"	20.974666
"1627683"	412.973966	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Na-2H"	20.974666
"100931"	408.980363	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M-H+Cl"	33.962126
"536482"	604.980013	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M-H+Cl"	33.962126
"929268"	212.980713	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-H+Cl"	33.962126
"270741"	818.968002	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+Cl"	34.969402
"662433"	1210.967302	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+Cl"	34.969402
"1273011"	426.968702	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Cl"	34.969402
"20675"	820.947206	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M-2H+K"	36.948606
"457685"	1212.946506	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M-2H+K"	36.948606
"836222"	428.947906	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-2H+K"	36.948606
"1557524"	428.947906	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+K-2H"	36.948606
"944308"	436.997494	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-H+HCOOH"	44.998194
"362525"	828.996801	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+HCOOH-H"	44.998201
"347866"	843.012451	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+Hac-H"	59.013851
"1496339"	451.013151	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Hac-H"	59.013851
"962787"	458.979451	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-H+NaCOOH"	66.980151
"116067"	426.968702	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+2Cl"	69.938804
"554534"	622.968352	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+2Cl"	69.938804
"1027341"	230.969052	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2Cl"	69.938804
"1246192"	470.918185	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Br"	78.918885
"1313014"	472.974172	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Cl+HCOOH"	80.974872
"1323219"	494.956129	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Cl+NaCOOH"	102.956829
"912817"	504.984886	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M-H+CF3COOH"	112.985586
"1289888"	540.961564	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Cl+CF3COOH"	148.962264
"1367278"	356.986624	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H-2H2O"	-35.012676
"1383232"	374.9966	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H-H2O"	-17.0027
"283161"	785.005876	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+H"	1.007276
"677295"	1177.005176	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+H"	1.007276
"1351451"	393.006576	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H"	1.007276
"130909"	393.006576	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+2H"	2.014552
"570472"	589.006226	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+2H"	2.014552
"1039270"	197.006926	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2H"	2.014552
"209357"	262.340142666667	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+3H"	3.021828
"646730"	393.006576	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+3H"	3.021828
"1163881"	131.673709333333	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+3H"	3.021828
"425940"	802.032423	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+NH4"	18.033823
"786935"	1194.031723	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+NH4"	18.033823
"1686546"	410.033123	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+NH4"	18.033823
"330693"	401.5198495	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+H+NH4"	19.041099
"724086"	597.5194995	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+H+NH4"	19.041099
"1481067"	205.5201995	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H+NH4"	19.041099
"392853"	806.987818	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+Na"	22.989218
"756369"	1198.987118	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+Na"	22.989218
"1606293"	414.988518	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Na"	22.989218
"317791"	403.997547	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+H+Na"	23.996494
"713493"	599.997197	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+H+Na"	23.996494
"1465125"	207.997897	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H+Na"	23.996494
"1056182"	139.001023333333	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2H+Na"	25.00377
"1262235"	425.032786	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+CH3OH+H"	33.033486
"385186"	822.961758	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+K"	38.963158
"745091"	1214.961058	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+K"	38.963158
"1552622"	430.962458	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+K"	38.963158
"308703"	411.984517	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+H+K"	39.970434
"701125"	607.984167	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+H+K"	39.970434
"1456037"	215.984867	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H+K"	39.970434
"246825"	826.032426	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+ACN+H"	42.033826
"1221724"	434.033126	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+ACN+H"	42.033826
"1205609"	217.520201	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+ACN+2H"	43.041102
"199573"	828.96976	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+2Na-H"	44.97116
"633302"	1220.96906	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+2Na-H"	44.97116
"1135714"	436.97046	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2Na-H"	44.97116
"173898"	414.988518	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+2Na"	45.978436
"614192"	610.988168	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+2Na"	45.978436
"1118428"	218.988868	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2Na"	45.978436
"1401950"	146.328337333333	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H+2Na"	46.985712
"1433705"	439.012046	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H+HCOOH"	47.012746
"225587"	420.02154	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+3H2O+2H"	56.04448
"1519116"	453.06409	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+IsoProp+H"	61.06479
"412604"	422.975488	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+Na+K"	61.952376
"770230"	618.975138	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+Na+K"	61.952376
"1666033"	226.975838	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Na+K"	61.952376
"254265"	848.014368	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+ACN+Na"	64.015768
"1235357"	456.015068	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+ACN+Na"	64.015768
"1714032"	456.038593	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+NH4+HCOOH"	64.039293
"1180850"	153.655651333333	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+3Na"	68.967654
"1651837"	460.993988	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Na+HCOOH"	68.994688
"159793"	860.91764	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+2K-H"	76.91904
"605922"	1252.91694	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+2K-H"	76.91904
"1090434"	468.91834	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2K-H"	76.91904
"142995"	430.962458	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"2M+2K"	77.926316
"585719"	626.962108	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"3M+2K"	77.926316
"1071684"	234.962808	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2K"	77.926316
"1102345"	470.932892	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2K+H"	78.933592
"1340917"	471.020507	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+DMSO+H"	79.021207
"1009448"	475.059676	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2ACN+H"	83.060376
"1528669"	476.053308	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+IsoProp+Na+H"	84.054008
"990985"	238.033476	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+2ACN+2H"	84.067652
"1588038"	476.967928	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+K+HCOOH"	84.968628
"1415885"	506.999438	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+H+CF3COOH"	115.000138
"1151040"	258.546751	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+3ACN+2H"	125.094202
"1697309"	524.025985	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+NH4+CF3COOH"	132.026685
"1635511"	528.98138	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+Na+CF3COOH"	136.98208
"1574081"	544.95532	"C08193"	"Aurothioglucose"	"C6H11AuO5S"	"391.9993"	"M+K+CF3COOH"	152.95602
"804810"	257.0819	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M"	0
"987824"	238.06351	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-H2O-H"	-19.01839
"70599"	170.380657333333	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M-3H"	-3.021828
"513443"	256.074624	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M-3H"	-3.021828
"890153"	84.6866906666667	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-3H"	-3.021828
"14560"	256.074624	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M-2H"	-2.014552
"450476"	384.615574	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M-2H"	-2.014552
"820624"	127.533674	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-2H"	-2.014552
"88271"	513.156524	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M-H"	-1.007276
"525648"	770.238424	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M-H"	-1.007276
"902353"	256.074624	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-H"	-1.007276
"52355"	530.183071	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M-2H+NH4"	16.019271
"495196"	787.264971	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M-2H+NH4"	16.019271
"871904"	273.101171	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-2H+NH4"	16.019271
"39808"	535.138466	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M-2H+Na"	20.974666
"474262"	792.220366	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M-2H+Na"	20.974666
"858260"	278.056566	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-2H+Na"	20.974666
"1624513"	278.056566	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Na-2H"	20.974666
"102134"	274.062963	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M-H+Cl"	33.962126
"535863"	402.603913	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M-H+Cl"	33.962126
"932658"	145.522013	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-H+Cl"	33.962126
"271946"	549.133202	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+Cl"	34.969402
"662908"	806.215102	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+Cl"	34.969402
"1278228"	292.051302	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Cl"	34.969402
"18963"	551.112406	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M-2H+K"	36.948606
"457431"	808.194306	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M-2H+K"	36.948606
"836696"	294.030506	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-2H+K"	36.948606
"1559091"	294.030506	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+K-2H"	36.948606
"943326"	302.080094	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-H+HCOOH"	44.998194
"361429"	559.162001	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+HCOOH-H"	44.998201
"346884"	573.177651	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+Hac-H"	59.013851
"1493530"	316.095751	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Hac-H"	59.013851
"961804"	324.062051	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-H+NaCOOH"	66.980151
"113991"	292.051302	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+2Cl"	69.938804
"551364"	420.592252	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+2Cl"	69.938804
"1024537"	163.510352	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2Cl"	69.938804
"1247395"	336.000785	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Br"	78.918885
"1313124"	338.056772	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Cl+HCOOH"	80.974872
"1320089"	360.038729	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Cl+NaCOOH"	102.956829
"912930"	370.067486	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M-H+CF3COOH"	112.985586
"1290730"	406.044164	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Cl+CF3COOH"	148.962264
"1367176"	222.069224	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H-2H2O"	-35.012676
"1383098"	240.0792	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H-H2O"	-17.0027
"282931"	515.171076	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+H"	1.007276
"675935"	772.252976	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+H"	1.007276
"1351396"	258.089176	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H"	1.007276
"125944"	258.089176	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+2H"	2.014552
"566104"	386.630126	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+2H"	2.014552
"1040472"	129.548226	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2H"	2.014552
"206186"	172.395209333333	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+3H"	3.021828
"644419"	258.089176	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+3H"	3.021828
"1163870"	86.7012426666667	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+3H"	3.021828
"424710"	532.197623	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+NH4"	18.033823
"791419"	789.279523	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+NH4"	18.033823
"1684469"	275.115723	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+NH4"	18.033823
"334935"	266.6024495	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+H+NH4"	19.041099
"724440"	395.1433995	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+H+NH4"	19.041099
"1480083"	138.0614995	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H+NH4"	19.041099
"394389"	537.153018	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+Na"	22.989218
"759759"	794.234918	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+Na"	22.989218
"1606039"	280.071118	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Na"	22.989218
"317896"	269.080147	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+H+Na"	23.996494
"710321"	397.621097	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+H+Na"	23.996494
"1464506"	140.539197	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H+Na"	23.996494
"1054833"	94.0285566666667	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2H+Na"	25.00377
"1260157"	290.115386	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+CH3OH+H"	33.033486
"383108"	553.126958	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+K"	38.963158
"745201"	810.208858	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+K"	38.963158
"1550545"	296.045058	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+K"	38.963158
"308813"	277.067117	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+H+K"	39.970434
"701235"	405.608067	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+H+K"	39.970434
"1456147"	148.526167	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H+K"	39.970434
"242562"	556.197626	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+ACN+H"	42.033826
"1218554"	299.115726	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+ACN+H"	42.033826
"1206812"	150.061501	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+ACN+2H"	43.041102
"198590"	559.13496	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+2Na-H"	44.97116
"634870"	816.21686	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+2Na-H"	44.97116
"1135824"	302.05306	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2Na-H"	44.97116
"173764"	280.071118	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+2Na"	45.978436
"613938"	408.612068	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+2Na"	45.978436
"1119267"	151.530168	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2Na"	45.978436
"1400602"	101.355870666667	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H+2Na"	46.985712
"1434179"	304.094646	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H+HCOOH"	47.012746
"226059"	285.10414	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+3H2O+2H"	56.04448
"1519226"	318.14669	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+IsoProp+H"	61.06479
"413077"	288.058088	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+Na+K"	61.952376
"770068"	416.599038	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+Na+K"	61.952376
"1665818"	159.517138	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Na+K"	61.952376
"254375"	578.179568	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+ACN+Na"	64.015768
"1232187"	321.097668	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+ACN+Na"	64.015768
"1713291"	321.121193	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+NH4+HCOOH"	64.039293
"1182053"	108.683184666667	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+3Na"	68.967654
"1651218"	326.076588	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Na+HCOOH"	68.994688
"158081"	591.08284	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+2K-H"	76.91904
"602752"	848.16474	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+2K-H"	76.91904
"1088720"	334.00094	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2K-H"	76.91904
"142251"	296.045058	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"2M+2K"	77.926316
"584006"	424.586008	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"3M+2K"	77.926316
"1069972"	167.504108	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2K"	77.926316
"1101847"	336.015492	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2K+H"	78.933592
"1342121"	336.103107	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+DMSO+H"	79.021207
"1008465"	340.142276	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2ACN+H"	83.060376
"1526956"	341.135908	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+IsoProp+Na+H"	84.054008
"991093"	170.574776	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+2ACN+2H"	84.067652
"1588636"	342.050528	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+K+HCOOH"	84.968628
"1415145"	372.082038	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+H+CF3COOH"	115.000138
"1151150"	191.088051	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+3ACN+2H"	125.094202
"1699242"	389.108585	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+NH4+CF3COOH"	132.026685
"1635621"	394.06398	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+Na+CF3COOH"	136.98208
"1574191"	410.03792	"C08195"	"Meclofenoxate"	"C12H16ClNO3"	"257.0819"	"M+K+CF3COOH"	152.95602
"802369"	302.063	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M"	0
"987934"	283.04461	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-H2O-H"	-19.01839
"70709"	200.368057333333	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M-3H"	-3.021828
"515741"	301.055724	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M-3H"	-3.021828
"893543"	99.6803906666667	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-3H"	-3.021828
"13212"	301.055724	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M-2H"	-2.014552
"450586"	452.087224	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M-2H"	-2.014552
"821828"	150.024224	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-2H"	-2.014552
"88382"	603.118724	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M-H"	-1.007276
"526852"	905.181724	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M-H"	-1.007276
"904653"	301.055724	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-H"	-1.007276
"57932"	620.145271	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M-2H+NH4"	16.019271
"499679"	922.208271	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M-2H+NH4"	16.019271
"873109"	318.082271	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-2H+NH4"	16.019271
"39918"	625.100666	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M-2H+Na"	20.974666
"475466"	927.163666	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M-2H+Na"	20.974666
"857277"	323.037666	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-2H+Na"	20.974666
"1624623"	323.037666	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Na-2H"	20.974666
"101151"	319.044063	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M-H+Cl"	33.962126
"538160"	470.075563	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M-H+Cl"	33.962126
"932404"	168.012563	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-H+Cl"	33.962126
"274973"	639.095402	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+Cl"	34.969402
"664477"	941.158402	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+Cl"	34.969402
"1280890"	337.032402	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Cl"	34.969402
"17981"	641.074606	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M-2H+K"	36.948606
"456813"	943.137606	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M-2H+K"	36.948606
"838628"	339.011606	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-2H+K"	36.948606
"1557740"	339.011606	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+K-2H"	36.948606
"945623"	347.061194	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-H+HCOOH"	44.998194
"362747"	649.124201	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+HCOOH-H"	44.998201
"347724"	663.139851	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+Hac-H"	59.013851
"1493641"	361.076851	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Hac-H"	59.013851
"963007"	369.043151	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-H+NaCOOH"	66.980151
"115194"	337.032402	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+2Cl"	69.938804
"551838"	488.063902	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+2Cl"	69.938804
"1026105"	186.000902	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2Cl"	69.938804
"1248599"	380.981885	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Br"	78.918885
"1312141"	383.037872	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Cl+HCOOH"	80.974872
"1324168"	405.019829	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Cl+NaCOOH"	102.956829
"920695"	415.048586	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M-H+CF3COOH"	112.985586
"1290475"	451.025264	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Cl+CF3COOH"	148.962264
"1368637"	267.050324	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H-2H2O"	-35.012676
"1383216"	285.0603	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H-H2O"	-17.0027
"283631"	605.133276	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+H"	1.007276
"675843"	907.196276	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+H"	1.007276
"1351669"	303.070276	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H"	1.007276
"125970"	303.070276	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+2H"	2.014552
"565754"	454.101776	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+2H"	2.014552
"1041675"	152.038776	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2H"	2.014552
"206296"	202.382609333333	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+3H"	3.021828
"646949"	303.070276	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+3H"	3.021828
"1163241"	101.694942666667	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+3H"	3.021828
"424815"	622.159823	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+NH4"	18.033823
"786137"	924.222823	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+NH4"	18.033823
"1681742"	320.096823	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+NH4"	18.033823
"331765"	311.5835495	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+H+NH4"	19.041099
"723331"	462.6150495	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+H+NH4"	19.041099
"1479100"	160.5520495	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H+NH4"	19.041099
"393650"	627.115218	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+Na"	22.989218
"757683"	929.178218	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+Na"	22.989218
"1607971"	325.052218	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Na"	22.989218
"320198"	314.061247	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+H+Na"	23.996494
"712619"	465.092747	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+H+Na"	23.996494
"1470815"	163.029747	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H+Na"	23.996494
"1060779"	109.022256666667	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2H+Na"	25.00377
"1262454"	335.096486	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+CH3OH+H"	33.033486
"385404"	643.089158	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+K"	38.963158
"746400"	945.152158	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+K"	38.963158
"1548462"	341.026158	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+K"	38.963158
"306730"	322.048217	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+H+K"	39.970434
"700247"	473.079717	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+H+K"	39.970434
"1452978"	171.016717	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H+K"	39.970434
"241578"	646.159826	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+ACN+H"	42.033826
"1218659"	344.096826	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+ACN+H"	42.033826
"1204730"	172.552051	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+ACN+2H"	43.041102
"194320"	649.09716	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+2Na-H"	44.97116
"632425"	951.16016	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+2Na-H"	44.97116
"1141768"	347.03416	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2Na-H"	44.97116
"174482"	325.052218	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+2Na"	45.978436
"616236"	476.083718	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+2Na"	45.978436
"1119375"	174.020718	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2Na"	45.978436
"1401080"	116.349570666667	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H+2Na"	46.985712
"1432829"	349.075746	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H+HCOOH"	47.012746
"225806"	330.08524	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+3H2O+2H"	56.04448
"1513868"	363.12779	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+IsoProp+H"	61.06479
"413552"	333.039188	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+Na+K"	61.952376
"770206"	484.070688	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+Na+K"	61.952376
"1666217"	182.007688	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Na+K"	61.952376
"254121"	668.141768	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+ACN+Na"	64.015768
"1232297"	366.078768	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+ACN+Na"	64.015768
"1713037"	366.102293	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+NH4+HCOOH"	64.039293
"1181070"	123.676884666667	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+3Na"	68.967654
"1651328"	371.057688	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Na+HCOOH"	68.994688
"159287"	681.04504	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+2K-H"	76.91904
"602862"	983.10804	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+2K-H"	76.91904
"1088102"	378.98204	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2K-H"	76.91904
"141878"	341.026158	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"2M+2K"	77.926316
"583752"	492.057658	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"3M+2K"	77.926316
"1069354"	189.994658	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2K"	77.926316
"1100498"	380.996592	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2K+H"	78.933592
"1338949"	381.084207	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+DMSO+H"	79.021207
"1007480"	385.123376	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2ACN+H"	83.060376
"1529981"	386.117008	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+IsoProp+Na+H"	84.054008
"990474"	193.065326	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+2ACN+2H"	84.067652
"1592026"	387.031628	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+K+HCOOH"	84.968628
"1415135"	417.063138	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+H+CF3COOH"	115.000138
"1151260"	213.578601	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+3ACN+2H"	125.094202
"1700810"	434.089685	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+NH4+CF3COOH"	132.026685
"1635002"	439.04508	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+Na+CF3COOH"	136.98208
"1574665"	455.01902	"C08197"	"Neostigmine bromide;Neo proserine"	"C12H19N2O2Br"	"302.063"	"M+K+CF3COOH"	152.95602
"804666"	334.1199	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M"	0
"989139"	315.10151	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-H2O-H"	-19.01839
"70819"	221.739324	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M-3H"	-3.021828
"515851"	333.112624	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M-3H"	-3.021828
"894746"	110.366024	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-3H"	-3.021828
"13322"	333.112624	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M-2H"	-2.014552
"450697"	500.172574	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M-2H"	-2.014552
"826312"	166.052674	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-2H"	-2.014552
"90679"	667.232524	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M-H"	-1.007276
"531336"	1001.352424	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M-H"	-1.007276
"903670"	333.112624	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-H"	-1.007276
"58044"	684.259071	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M-2H+NH4"	16.019271
"496513"	1018.378971	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M-2H+NH4"	16.019271
"873219"	350.139171	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-2H+NH4"	16.019271
"43306"	689.214466	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M-2H+Na"	20.974666
"474483"	1023.334366	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M-2H+Na"	20.974666
"854107"	355.094566	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-2H+Na"	20.974666
"1623640"	355.094566	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Na-2H"	20.974666
"95063"	351.100963	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M-H+Cl"	33.962126
"537176"	518.160913	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M-H+Cl"	33.962126
"933244"	184.041013	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-H+Cl"	33.962126
"278363"	703.209202	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+Cl"	34.969402
"668598"	1037.329102	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+Cl"	34.969402
"1284281"	369.089302	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Cl"	34.969402
"19184"	705.188406	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M-2H+K"	36.948606
"456275"	1039.308306	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M-2H+K"	36.948606
"834364"	371.068506	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-2H+K"	36.948606
"1557123"	371.068506	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+K-2H"	36.948606
"942840"	379.118094	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-H+HCOOH"	44.998194
"364317"	713.238001	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+HCOOH-H"	44.998201
"345710"	727.253651	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+Hac-H"	59.013851
"1492776"	393.133751	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Hac-H"	59.013851
"963117"	401.100051	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-H+NaCOOH"	66.980151
"113118"	369.089302	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+2Cl"	69.938804
"554865"	536.149252	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+2Cl"	69.938804
"1029131"	202.029352	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2Cl"	69.938804
"1248710"	413.038785	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Br"	78.918885
"1312253"	415.094772	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Cl+HCOOH"	80.974872
"1324278"	437.076729	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Cl+NaCOOH"	102.956829
"917525"	447.105486	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M-H+CF3COOH"	112.985586
"1292044"	483.082164	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Cl+CF3COOH"	148.962264
"1369114"	299.107224	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H-2H2O"	-35.012676
"1388796"	317.1172	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H-H2O"	-17.0027
"289575"	669.247076	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+H"	1.007276
"676892"	1003.366976	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+H"	1.007276
"1352271"	335.127176	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H"	1.007276
"126005"	335.127176	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+2H"	2.014552
"566782"	502.187126	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+2H"	2.014552
"1038747"	168.067226	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2H"	2.014552
"204401"	223.753876	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+3H"	3.021828
"644626"	335.127176	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+3H"	3.021828
"1163073"	112.380576	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+3H"	3.021828
"425045"	686.273623	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+NH4"	18.033823
"786777"	1020.393523	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+NH4"	18.033823
"1682135"	352.153723	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+NH4"	18.033823
"332969"	343.6404495	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+H+NH4"	19.041099
"723321"	510.7003995	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+H+NH4"	19.041099
"1478238"	176.5804995	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H+NH4"	19.041099
"395704"	691.229018	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+Na"	22.989218
"759980"	1025.348918	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+Na"	22.989218
"1609174"	357.109118	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Na"	22.989218
"318121"	346.118147	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+H+Na"	23.996494
"711636"	513.178097	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+H+Na"	23.996494
"1473111"	179.058197	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H+Na"	23.996494
"1060887"	119.70789	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2H+Na"	25.00377
"1261469"	367.153386	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+CH3OH+H"	33.033486
"383325"	707.202958	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+K"	38.963158
"746510"	1041.322858	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+K"	38.963158
"1546379"	373.083058	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+K"	38.963158
"302465"	354.105117	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+H+K"	39.970434
"702543"	521.165067	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+H+K"	39.970434
"1453088"	187.045167	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H+K"	39.970434
"239501"	710.273626	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+ACN+H"	42.033826
"1215489"	376.153726	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+ACN+H"	42.033826
"1198280"	188.580501	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+ACN+2H"	43.041102
"192244"	713.21096	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+2Na-H"	44.97116
"632535"	1047.33086	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+2Na-H"	44.97116
"1140785"	379.09106	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2Na-H"	44.97116
"174109"	357.109118	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+2Na"	45.978436
"614521"	524.169068	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+2Na"	45.978436
"1118756"	190.049168	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2Na"	45.978436
"1400821"	127.035204	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H+2Na"	46.985712
"1433669"	381.132646	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H+HCOOH"	47.012746
"224456"	362.14214	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+3H2O+2H"	56.04448
"1513979"	395.18469	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+IsoProp+H"	61.06479
"411840"	365.096088	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+Na+K"	61.952376
"770198"	532.156038	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+Na+K"	61.952376
"1666490"	198.036138	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Na+K"	61.952376
"253502"	732.255568	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+ACN+Na"	64.015768
"1229127"	398.135668	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+ACN+Na"	64.015768
"1712755"	398.159193	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+NH4+HCOOH"	64.039293
"1182273"	134.362518	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+3Na"	68.967654
"1653259"	403.114588	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Na+HCOOH"	68.994688
"159397"	745.15884	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+2K-H"	76.91904
"598596"	1079.27874	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+2K-H"	76.91904
"1085658"	411.03894	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2K-H"	76.91904
"141980"	373.083058	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"2M+2K"	77.926316
"582886"	540.143008	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"3M+2K"	77.926316
"1068971"	206.023108	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2K"	77.926316
"1100078"	413.053492	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2K+H"	78.933592
"1339059"	413.141107	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+DMSO+H"	79.021207
"1006005"	417.180276	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2ACN+H"	83.060376
"1526811"	418.173908	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+IsoProp+Na+H"	84.054008
"989956"	209.093776	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+2ACN+2H"	84.067652
"1592136"	419.088528	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+K+HCOOH"	84.968628
"1415245"	449.120038	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+H+CF3COOH"	115.000138
"1154650"	229.607051	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+3ACN+2H"	125.094202
"1700920"	466.146585	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+NH4+CF3COOH"	132.026685
"1635112"	471.10198	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+Na+CF3COOH"	136.98208
"1575504"	487.07592	"C08200"	"Neostigmine methylsulfate"	"C12H19N2O2CH3SO4"	"334.1199"	"M+K+CF3COOH"	152.95602
"802710"	181.087	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M"	0
"985968"	162.06861	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-H2O-H"	-19.01839
"67649"	119.717390666667	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M-3H"	-3.021828
"518464"	180.079724	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M-3H"	-3.021828
"894856"	59.3550573333333	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-3H"	-3.021828
"13432"	180.079724	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M-2H"	-2.014552
"451899"	270.623224	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M-2H"	-2.014552
"826420"	89.536224	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-2H"	-2.014552
"92733"	361.166724	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M-H"	-1.007276
"533145"	542.253724	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M-H"	-1.007276
"910831"	180.079724	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-H"	-1.007276
"60341"	378.193271	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M-2H+NH4"	16.019271
"500873"	559.280271	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M-2H+NH4"	16.019271
"879041"	197.106271	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-2H+NH4"	16.019271
"45603"	383.148666	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M-2H+Na"	20.974666
"480789"	564.235666	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M-2H+Na"	20.974666
"855310"	202.061666	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-2H+Na"	20.974666
"1625936"	202.061666	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Na-2H"	20.974666
"95173"	198.068063	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M-H+Cl"	33.962126
"536922"	288.611563	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M-H+Cl"	33.962126
"935541"	107.524563	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-H+Cl"	33.962126
"278473"	397.143402	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+Cl"	34.969402
"671988"	578.230402	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+Cl"	34.969402
"1285484"	216.056402	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Cl"	34.969402
"21481"	399.122606	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M-2H+K"	36.948606
"458128"	580.209606	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M-2H+K"	36.948606
"838848"	218.035606	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-2H+K"	36.948606
"1556504"	218.035606	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+K-2H"	36.948606
"949126"	226.085194	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-H+HCOOH"	44.998194
"366250"	407.172201	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+HCOOH-H"	44.998201
"352320"	421.187851	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+Hac-H"	59.013851
"1496779"	240.100851	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Hac-H"	59.013851
"965414"	248.067151	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-H+NaCOOH"	66.980151
"116508"	216.056402	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+2Cl"	69.938804
"558255"	306.599902	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+2Cl"	69.938804
"1032522"	125.512902	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2Cl"	69.938804
"1249912"	260.005885	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Br"	78.918885
"1313454"	262.061872	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Cl+HCOOH"	80.974872
"1327668"	284.043829	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Cl+NaCOOH"	102.956829
"919821"	294.072586	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M-H+CF3COOH"	112.985586
"1296528"	330.049264	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Cl+CF3COOH"	148.962264
"1375784"	146.074324	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H-2H2O"	-35.012676
"1392186"	164.0843	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H-H2O"	-17.0027
"287861"	363.181276	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+H"	1.007276
"677367"	544.268276	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+H"	1.007276
"1352989"	182.094276	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H"	1.007276
"125873"	182.094276	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+2H"	2.014552
"567258"	272.637776	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+2H"	2.014552
"1037885"	91.550776	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2H"	2.014552
"205055"	121.731942666667	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+3H"	3.021828
"646076"	182.094276	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+3H"	3.021828
"1162983"	61.3696093333333	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+3H"	3.021828
"424667"	380.207823	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+NH4"	18.033823
"786524"	561.294823	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+NH4"	18.033823
"1681882"	199.120823	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+NH4"	18.033823
"333079"	190.6075495	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+H+NH4"	19.041099
"722985"	281.1510495	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+H+NH4"	19.041099
"1478227"	100.0640495	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H+NH4"	19.041099
"395814"	385.163218	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+Na"	22.989218
"760091"	566.250218	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+Na"	22.989218
"1610376"	204.076218	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Na"	22.989218
"318230"	193.085247	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+H+Na"	23.996494
"710653"	283.628747	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+H+Na"	23.996494
"1468848"	102.541747	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H+Na"	23.996494
"1058811"	68.6969233333333	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2H+Na"	25.00377
"1260486"	214.120486	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+CH3OH+H"	33.033486
"380156"	401.137158	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+K"	38.963158
"742248"	582.224158	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+K"	38.963158
"1545396"	220.050158	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+K"	38.963158
"303666"	201.072217	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+H+K"	39.970434
"701560"	291.615717	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+H+K"	39.970434
"1453197"	110.528717	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H+K"	39.970434
"239611"	404.207826	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+ACN+H"	42.033826
"1212319"	223.120826	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+ACN+H"	42.033826
"1202763"	112.064051	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+ACN+2H"	43.041102
"192353"	407.14516	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+2Na-H"	44.97116
"636290"	588.23216	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+2Na-H"	44.97116
"1138341"	226.05816	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2Na-H"	44.97116
"172985"	204.076218	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+2Na"	45.978436
"614023"	294.619718	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+2Na"	45.978436
"1118502"	113.532718	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2Na"	45.978436
"1399959"	76.0242373333333	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H+2Na"	46.985712
"1431225"	228.099746	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H+HCOOH"	47.012746
"221650"	209.10924	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+3H2O+2H"	56.04448
"1510807"	242.15179	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+IsoProp+H"	61.06479
"410857"	212.063188	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+Na+K"	61.952376
"770297"	302.606688	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+Na+K"	61.952376
"1665784"	121.519688	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Na+K"	61.952376
"252519"	426.189768	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+ACN+Na"	64.015768
"1227415"	245.102768	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+ACN+Na"	64.015768
"1712742"	245.126293	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+NH4+HCOOH"	64.039293
"1179104"	83.3515513333333	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+3Na"	68.967654
"1650331"	250.081688	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Na+HCOOH"	68.994688
"159507"	439.09304	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+2K-H"	76.91904
"603084"	620.18004	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+2K-H"	76.91904
"1089052"	258.00604	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2K-H"	76.91904
"141439"	220.050158	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"2M+2K"	77.926316
"583484"	310.593658	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"3M+2K"	77.926316
"1068606"	129.506658	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2K"	77.926316
"1100838"	260.020592	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2K+H"	78.933592
"1336495"	260.108207	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+DMSO+H"	79.021207
"1006481"	264.147376	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2ACN+H"	83.060376
"1526921"	265.141008	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+IsoProp+Na+H"	84.054008
"990569"	132.577326	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+2ACN+2H"	84.067652
"1592246"	266.055628	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+K+HCOOH"	84.968628
"1414991"	296.087138	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+H+CF3COOH"	115.000138
"1155853"	153.090601	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+3ACN+2H"	125.094202
"1701030"	313.113685	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+NH4+CF3COOH"	132.026685
"1634858"	318.06908	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+Na+CF3COOH"	136.98208
"1575614"	334.04302	"C08201"	"Acetylcholine chloride"	"C7H16NO2Cl"	"181.087"	"M+K+CF3COOH"	152.95602
"804886"	196.0979	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M"	0
"986078"	177.07951	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-H2O-H"	-19.01839
"67759"	129.724657333333	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M-3H"	-3.021828
"513884"	195.090624	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M-3H"	-3.021828
"891687"	64.3586906666667	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-3H"	-3.021828
"12449"	195.090624	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M-2H"	-2.014552
"452009"	293.139574	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M-2H"	-2.014552
"825438"	97.041674	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-2H"	-2.014552
"92479"	391.188524	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M-H"	-1.007276
"532404"	587.286424	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M-H"	-1.007276
"910576"	195.090624	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-H"	-1.007276
"60451"	408.215071	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M-2H+NH4"	16.019271
"500011"	604.312971	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M-2H+NH4"	16.019271
"876719"	212.117171	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-2H+NH4"	16.019271
"44619"	413.170466	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M-2H+Na"	20.974666
"478713"	609.268366	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M-2H+Na"	20.974666
"853233"	217.072566	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-2H+Na"	20.974666
"1622766"	217.072566	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Na-2H"	20.974666
"94914"	213.078963	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M-H+Cl"	33.962126
"535327"	311.127913	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M-H+Cl"	33.962126
"933464"	115.030013	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-H+Cl"	33.962126
"281379"	427.165202	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+Cl"	34.969402
"674894"	623.263102	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+Cl"	34.969402
"1285594"	231.067302	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Cl"	34.969402
"20498"	429.144406	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M-2H+K"	36.948606
"457874"	625.242306	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M-2H+K"	36.948606
"835678"	233.046506	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-2H+K"	36.948606
"1556614"	233.046506	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+K-2H"	36.948606
"945956"	241.096094	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-H+HCOOH"	44.998194
"365266"	437.194001	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+HCOOH-H"	44.998201
"352430"	451.209651	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+Hac-H"	59.013851
"1499076"	255.111751	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Hac-H"	59.013851
"964430"	263.078051	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-H+NaCOOH"	66.980151
"116618"	231.067302	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+2Cl"	69.938804
"557271"	329.116252	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+2Cl"	69.938804
"1031538"	133.018352	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2Cl"	69.938804
"1246742"	275.016785	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Br"	78.918885
"1315751"	277.072772	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Cl+HCOOH"	80.974872
"1326684"	299.054729	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Cl+NaCOOH"	102.956829
"918836"	309.083486	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M-H+CF3COOH"	112.985586
"1296638"	345.060164	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Cl+CF3COOH"	148.962264
"1381726"	161.085224	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H-2H2O"	-35.012676
"1397035"	179.0952	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H-H2O"	-17.0027
"290887"	393.203076	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+H"	1.007276
"680030"	589.300976	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+H"	1.007276
"1355287"	197.105176	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H"	1.007276
"128176"	197.105176	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+2H"	2.014552
"566639"	295.154126	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+2H"	2.014552
"1040912"	99.056226	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2H"	2.014552
"208813"	131.739209333333	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+3H"	3.021828
"648373"	197.105176	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+3H"	3.021828
"1163458"	66.3732426666667	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+3H"	3.021828
"424661"	410.229623	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+NH4"	18.033823
"786513"	606.327523	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+NH4"	18.033823
"1682235"	214.131723	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+NH4"	18.033823
"335376"	205.6184495	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+H+NH4"	19.041099
"724880"	303.6673995	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+H+NH4"	19.041099
"1479795"	107.5694995	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H+NH4"	19.041099
"395926"	415.185018	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+Na"	22.989218
"756923"	611.282918	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+Na"	22.989218
"1606116"	219.087118	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Na"	22.989218
"316151"	208.096147	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+H+Na"	23.996494
"707604"	306.145097	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+H+Na"	23.996494
"1464578"	110.047197	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H+Na"	23.996494
"1054906"	73.7005566666667	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2H+Na"	25.00377
"1262784"	229.131386	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+CH3OH+H"	33.033486
"379170"	431.158958	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+K"	38.963158
"741266"	627.256858	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+K"	38.963158
"1542227"	235.061058	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+K"	38.963158
"303777"	216.083117	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+H+K"	39.970434
"703858"	314.132067	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+H+K"	39.970434
"1453307"	118.034167	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H+K"	39.970434
"239720"	434.229626	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+ACN+H"	42.033826
"1211337"	238.131726	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+ACN+H"	42.033826
"1199593"	119.569501	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+ACN+2H"	43.041102
"195743"	437.16696	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+2Na-H"	44.97116
"633484"	633.26486	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+2Na-H"	44.97116
"1141003"	241.06906	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2Na-H"	44.97116
"173352"	219.087118	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+2Na"	45.978436
"615473"	317.136068	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+2Na"	45.978436
"1117394"	121.038168	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2Na"	45.978436
"1401041"	81.0278706666667	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H+2Na"	46.985712
"1432064"	243.110646	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H+HCOOH"	47.012746
"225041"	224.12014	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+3H2O+2H"	56.04448
"1513103"	257.16269	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+IsoProp+H"	61.06479
"412790"	227.074088	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+Na+K"	61.952376
"770739"	325.123038	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+Na+K"	61.952376
"1666953"	129.025138	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Na+K"	61.952376
"252384"	456.211568	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+ACN+Na"	64.015768
"1228618"	260.113668	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+ACN+Na"	64.015768
"1713123"	260.137193	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+NH4+HCOOH"	64.039293
"1180307"	88.3551846666667	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+3Na"	68.967654
"1650237"	265.092588	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Na+HCOOH"	68.994688
"159617"	469.11484	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+2K-H"	76.91904
"606474"	665.21274	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+2K-H"	76.91904
"1088798"	273.01694	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2K-H"	76.91904
"141967"	235.061058	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"2M+2K"	77.926316
"584082"	333.110008	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"3M+2K"	77.926316
"1068516"	137.012108	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2K"	77.926316
"1100010"	275.031492	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2K+H"	78.933592
"1337092"	275.119107	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+DMSO+H"	79.021207
"1005981"	279.158276	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2ACN+H"	83.060376
"1529217"	280.151908	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+IsoProp+Na+H"	84.054008
"989941"	140.082776	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+2ACN+2H"	84.067652
"1592356"	281.066528	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+K+HCOOH"	84.968628
"1414490"	311.098038	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+H+CF3COOH"	115.000138
"1150495"	160.596051	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+3ACN+2H"	125.094202
"1702233"	328.124585	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+NH4+CF3COOH"	132.026685
"1635697"	333.07998	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+Na+CF3COOH"	136.98208
"1575724"	349.05392	"C08202"	"Bethanechol chloride"	"C7H17N2O2Cl"	"196.0979"	"M+K+CF3COOH"	152.95602
"802200"	412.3341	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M"	0
"987281"	393.31571	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-H2O-H"	-19.01839
"67869"	273.882124	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M-3H"	-3.021828
"515087"	411.326824	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M-3H"	-3.021828
"892890"	136.437424	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-3H"	-3.021828
"9278"	411.326824	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M-2H"	-2.014552
"448839"	617.493874	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M-2H"	-2.014552
"825545"	205.159774	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-2H"	-2.014552
"84444"	823.660924	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M-H"	-1.007276
"529475"	1235.995024	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M-H"	-1.007276
"905089"	411.326824	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-H"	-1.007276
"60558"	840.687471	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M-2H+NH4"	16.019271
"501091"	1253.021571	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M-2H+NH4"	16.019271
"874640"	428.353371	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-2H+NH4"	16.019271
"47085"	845.642866	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M-2H+Na"	20.974666
"486358"	1257.976966	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M-2H+Na"	20.974666
"863671"	433.308766	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-2H+Na"	20.974666
"1620810"	433.308766	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Na-2H"	20.974666
"94658"	429.315163	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M-H+Cl"	33.962126
"534953"	635.482213	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M-H+Cl"	33.962126
"928345"	223.148113	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-H+Cl"	33.962126
"281610"	859.637602	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+Cl"	34.969402
"675004"	1271.971702	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+Cl"	34.969402
"1285704"	447.303502	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Cl"	34.969402
"21700"	861.616806	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M-2H+K"	36.948606
"459076"	1273.950906	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M-2H+K"	36.948606
"835057"	449.282706	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-2H+K"	36.948606
"1557090"	449.282706	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+K-2H"	36.948606
"943879"	457.332294	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-H+HCOOH"	44.998194
"365376"	869.666401	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+HCOOH-H"	44.998201
"350353"	883.682051	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+Hac-H"	59.013851
"1496999"	471.347951	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Hac-H"	59.013851
"962353"	479.314251	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-H+NaCOOH"	66.980151
"114541"	447.303502	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+2Cl"	69.938804
"555194"	653.470552	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+2Cl"	69.938804
"1031648"	241.136452	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2Cl"	69.938804
"1249037"	491.252985	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Br"	78.918885
"1315860"	493.308972	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Cl+HCOOH"	80.974872
"1323514"	515.290929	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Cl+NaCOOH"	102.956829
"915666"	525.319686	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M-H+CF3COOH"	112.985586
"1296748"	561.296364	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Cl+CF3COOH"	148.962264
"1379284"	377.321424	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H-2H2O"	-35.012676
"1395686"	395.3314	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H-H2O"	-17.0027
"289904"	825.675476	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+H"	1.007276
"680140"	1238.009576	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+H"	1.007276
"1355397"	413.341376	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H"	1.007276
"126825"	413.341376	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+2H"	2.014552
"566504"	619.508426	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+2H"	2.014552
"1044302"	207.174326	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2H"	2.014552
"208923"	275.896676	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+3H"	3.021828
"649576"	413.341376	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+3H"	3.021828
"1163811"	138.451976	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+3H"	3.021828
"425136"	842.702023	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+NH4"	18.033823
"786011"	1255.036123	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+NH4"	18.033823
"1682709"	430.367923	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+NH4"	18.033823
"333299"	421.8546495	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+H+NH4"	19.041099
"723775"	628.0216995	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+H+NH4"	19.041099
"1479541"	215.6875995	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H+NH4"	19.041099
"396035"	847.657418	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+Na"	22.989218
"759583"	1259.991518	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+Na"	22.989218
"1609503"	435.323318	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Na"	22.989218
"321726"	424.332347	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+H+Na"	23.996494
"711965"	630.499397	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+H+Na"	23.996494
"1465781"	218.165297	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H+Na"	23.996494
"1056110"	145.77929	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2H+Na"	25.00377
"1258883"	445.367586	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+CH3OH+H"	33.033486
"378549"	863.631358	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+K"	38.963158
"744655"	1275.965458	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+K"	38.963158
"1542335"	451.297258	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+K"	38.963158
"303882"	432.319317	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+H+K"	39.970434
"700687"	638.486367	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+H+K"	39.970434
"1453414"	226.152267	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H+K"	39.970434
"240924"	866.702026	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+ACN+H"	42.033826
"1211689"	454.367926	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+ACN+H"	42.033826
"1199703"	227.687601	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+ACN+2H"	43.041102
"196946"	869.63936	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+2Na-H"	44.97116
"636510"	1281.97346	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+2Na-H"	44.97116
"1133577"	457.30526	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2Na-H"	44.97116
"173951"	435.323318	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+2Na"	45.978436
"615949"	641.490368	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+2Na"	45.978436
"1116895"	229.156268	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2Na"	45.978436
"1399693"	153.106604	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H+2Na"	46.985712
"1430958"	459.346846	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H+HCOOH"	47.012746
"225151"	440.35634	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+3H2O+2H"	56.04448
"1512120"	473.39889	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+IsoProp+H"	61.06479
"412900"	443.310288	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+Na+K"	61.952376
"770972"	649.477338	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+Na+K"	61.952376
"1666698"	237.143238	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Na+K"	61.952376
"251797"	888.683968	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+ACN+Na"	64.015768
"1225808"	476.349868	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+ACN+Na"	64.015768
"1713192"	476.373393	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+NH4+HCOOH"	64.039293
"1179444"	160.433918	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+3Na"	68.967654
"1650793"	481.328788	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Na+HCOOH"	68.994688
"158627"	901.58724	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+2K-H"	76.91904
"598313"	1313.92134	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+2K-H"	76.91904
"1092187"	489.25314	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2K-H"	76.91904
"142930"	451.297258	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"2M+2K"	77.926316
"582852"	657.464308	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"3M+2K"	77.926316
"1069422"	245.130208	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2K"	77.926316
"1100565"	491.267692	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2K+H"	78.933592
"1336713"	491.355307	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+DMSO+H"	79.021207
"1006129"	495.394476	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2ACN+H"	83.060376
"1529328"	496.388108	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+IsoProp+Na+H"	84.054008
"990179"	248.200876	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+2ACN+2H"	84.067652
"1590279"	497.302728	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+K+HCOOH"	84.968628
"1414720"	527.334238	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+H+CF3COOH"	115.000138
"1150605"	268.714151	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+3ACN+2H"	125.094202
"1702343"	544.360785	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+NH4+CF3COOH"	132.026685
"1635807"	549.31618	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+Na+CF3COOH"	136.98208
"1575834"	565.29012	"C08211"	"Doxercalciferol;1alpha-Hydroxyergocalciferol"	"C28H44O2"	"412.3341"	"M+K+CF3COOH"	152.95602
"808387"	798.6686	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M"	0
"986298"	779.65021	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-H2O-H"	-19.01839
"66886"	531.438457333333	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M-3H"	-3.021828
"516290"	797.661324	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M-3H"	-3.021828
"893000"	265.215590666667	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-3H"	-3.021828
"12668"	797.661324	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M-2H"	-2.014552
"447856"	1196.995624	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M-2H"	-2.014552
"822740"	398.327024	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-2H"	-2.014552
"83826"	1596.329924	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M-H"	-1.007276
"531772"	2394.998524	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M-H"	-1.007276
"904106"	797.661324	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-H"	-1.007276
"57388"	1613.356471	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M-2H+NH4"	16.019271
"496947"	2412.025071	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M-2H+NH4"	16.019271
"874750"	814.687871	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-2H+NH4"	16.019271
"46461"	1618.311866	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M-2H+Na"	20.974666
"486873"	2416.980466	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M-2H+Na"	20.974666
"860013"	819.643266	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-2H+Na"	20.974666
"1625173"	819.643266	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Na-2H"	20.974666
"95505"	815.649663	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M-H+Cl"	33.962126
"535063"	1214.983963	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M-H+Cl"	33.962126
"928577"	416.315363	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-H+Cl"	33.962126
"271148"	1632.306602	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+Cl"	34.969402
"662477"	2430.975202	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+Cl"	34.969402
"1274753"	833.638002	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Cl"	34.969402
"18896"	1634.285806	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M-2H+K"	36.948606
"457364"	2432.954406	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M-2H+K"	36.948606
"834803"	835.617206	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-2H+K"	36.948606
"1562666"	835.617206	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+K-2H"	36.948606
"945082"	843.666794	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-H+HCOOH"	44.998194
"367673"	1642.335401	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+HCOOH-H"	44.998201
"352650"	1656.351051	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+Hac-H"	59.013851
"1500389"	857.682451	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Hac-H"	59.013851
"965743"	865.648751	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-H+NaCOOH"	66.980151
"117931"	833.638002	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+2Cl"	69.938804
"558584"	1232.972302	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+2Cl"	69.938804
"1033945"	434.303702	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2Cl"	69.938804
"1248054"	877.587485	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Br"	78.918885
"1314877"	879.643472	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Cl+HCOOH"	80.974872
"1323624"	901.625429	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Cl+NaCOOH"	102.956829
"924160"	911.654186	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M-H+CF3COOH"	112.985586
"1296858"	947.630864	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Cl+CF3COOH"	148.962264
"1379394"	763.655924	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H-2H2O"	-35.012676
"1395796"	781.6659	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H-H2O"	-17.0027
"295482"	1598.344476	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+H"	1.007276
"681344"	2397.013076	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+H"	1.007276
"1356601"	799.675876	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H"	1.007276
"128398"	799.675876	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+2H"	2.014552
"565751"	1199.010176	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+2H"	2.014552
"1044412"	400.341576	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2H"	2.014552
"209033"	533.453009333333	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+3H"	3.021828
"648593"	799.675876	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+3H"	3.021828
"1165624"	267.230142666667	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+3H"	3.021828
"425614"	1615.371023	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+NH4"	18.033823
"786001"	2414.039623	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+NH4"	18.033823
"1681971"	816.702423	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+NH4"	18.033823
"332680"	808.1891495	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+H+NH4"	19.041099
"723643"	1207.5234495	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+H+NH4"	19.041099
"1479651"	408.8548495	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H+NH4"	19.041099
"398332"	1620.326418	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+Na"	22.989218
"758235"	2418.995018	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+Na"	22.989218
"1606697"	821.657818	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Na"	22.989218
"319650"	810.666847	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+H+Na"	23.996494
"711709"	1210.001147	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+H+Na"	23.996494
"1465529"	411.332547	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H+Na"	23.996494
"1054398"	274.557456666667	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2H+Na"	25.00377
"1258263"	831.702086	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+CH3OH+H"	33.033486
"379027"	1636.300358	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+K"	38.963158
"743671"	2434.968958	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+K"	38.963158
"1541717"	837.631758	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+K"	38.963158
"301806"	818.653817	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+H+K"	39.970434
"701890"	1217.988117	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+H+K"	39.970434
"1452431"	419.319517	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H+K"	39.970434
"246501"	1639.371026	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+ACN+H"	42.033826
"1218117"	840.702426	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+ACN+H"	42.033826
"1203093"	420.854851	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+ACN+2H"	43.041102
"194869"	1642.30836	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+2Na-H"	44.97116
"633340"	2440.97696	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+2Na-H"	44.97116
"1137210"	843.63976	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2Na-H"	44.97116
"183420"	821.657818	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+2Na"	45.978436
"618608"	1220.992118	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+2Na"	45.978436
"1122115"	422.323518	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2Na"	45.978436
"1407825"	281.884770666667	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H+2Na"	46.985712
"1435567"	845.681346	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H+HCOOH"	47.012746
"227447"	826.69084	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+3H2O+2H"	56.04448
"1511133"	859.73339	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+IsoProp+H"	61.06479
"410089"	829.644788	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+Na+K"	61.952376
"771084"	1228.979088	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+Na+K"	61.952376
"1666687"	430.310488	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Na+K"	61.952376
"252606"	1661.352968	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+ACN+Na"	64.015768
"1227745"	862.684368	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+ACN+Na"	64.015768
"1717361"	862.707893	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+NH4+HCOOH"	64.039293
"1180039"	289.212084666667	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+3Na"	68.967654
"1651634"	867.663288	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Na+HCOOH"	68.994688
"158617"	1674.25624	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+2K-H"	76.91904
"600857"	2472.92484	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+2K-H"	76.91904
"1091204"	875.58764	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2K-H"	76.91904
"142423"	837.631758	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"2M+2K"	77.926316
"583450"	1236.966058	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"3M+2K"	77.926316
"1069292"	438.297458	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2K"	77.926316
"1101290"	877.602192	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2K+H"	78.933592
"1340592"	877.689807	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+DMSO+H"	79.021207
"1007057"	881.728976	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2ACN+H"	83.060376
"1529439"	882.722608	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+IsoProp+Na+H"	84.054008
"992608"	441.368126	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+2ACN+2H"	84.067652
"1594764"	883.637228	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+K+HCOOH"	84.968628
"1417145"	913.668738	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+H+CF3COOH"	115.000138
"1150716"	461.881401	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+3ACN+2H"	125.094202
"1703547"	930.695285	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+NH4+CF3COOH"	132.026685
"1640292"	935.65068	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+Na+CF3COOH"	136.98208
"1573757"	951.62462	"C08212"	"Levothyroxine sodium anhydrous"	"C15H10I4NO4Na"	"798.6686"	"M+K+CF3COOH"	152.95602
"806309"	570.8002	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M"	0
"980941"	551.78181	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-H2O-H"	-19.01839
"66996"	379.526190666667	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M-3H"	-3.021828
"509842"	569.792924	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M-3H"	-3.021828
"889831"	189.259457333333	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-3H"	-3.021828
"12779"	569.792924	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M-2H"	-2.014552
"446873"	855.193024	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M-2H"	-2.014552
"823581"	284.392824	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-2H"	-2.014552
"87947"	1140.593124	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M-H"	-1.007276
"530789"	1711.393324	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M-H"	-1.007276
"906405"	569.792924	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-H"	-1.007276
"58592"	1157.619671	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M-2H+NH4"	16.019271
"500341"	1728.419871	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M-2H+NH4"	16.019271
"877048"	586.819471	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-2H+NH4"	16.019271
"41668"	1162.575066	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M-2H+Na"	20.974666
"483415"	1733.375266	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M-2H+Na"	20.974666
"861582"	591.774866	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-2H+Na"	20.974666
"1626378"	591.774866	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Na-2H"	20.974666
"96345"	587.781263	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M-H+Cl"	33.962126
"534566"	873.181363	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M-H+Cl"	33.962126
"934889"	302.381163	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-H+Cl"	33.962126
"272353"	1176.569802	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+Cl"	34.969402
"662587"	1747.370002	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+Cl"	34.969402
"1282646"	605.769602	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Cl"	34.969402
"16456"	1178.549006	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M-2H+K"	36.948606
"460394"	1749.349206	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M-2H+K"	36.948606
"837103"	607.748806	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-2H+K"	36.948606
"1561683"	607.748806	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+K-2H"	36.948606
"950662"	615.798394	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-H+HCOOH"	44.998194
"363773"	1186.598601	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+HCOOH-H"	44.998201
"345885"	1200.614251	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+Hac-H"	59.013851
"1497219"	629.814051	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Hac-H"	59.013851
"964760"	637.780351	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-H+NaCOOH"	66.980151
"118041"	605.769602	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+2Cl"	69.938804
"555414"	891.169702	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+2Cl"	69.938804
"1024214"	320.369502	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2Cl"	69.938804
"1248167"	649.719085	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Br"	78.918885
"1314987"	651.775072	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Cl+HCOOH"	80.974872
"1330296"	673.757029	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Cl+NaCOOH"	102.956829
"925364"	683.785786	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M-H+CF3COOH"	112.985586
"1293689"	719.762464	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Cl+CF3COOH"	148.962264
"1381569"	535.787524	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H-2H2O"	-35.012676
"1392627"	553.7975	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H-H2O"	-17.0027
"297781"	1142.607676	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+H"	1.007276
"683643"	1713.407876	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+H"	1.007276
"1352337"	571.807476	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H"	1.007276
"129599"	571.807476	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+2H"	2.014552
"570255"	857.207576	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+2H"	2.014552
"1042335"	286.407376	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2H"	2.014552
"204883"	381.540742666667	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+3H"	3.021828
"644329"	571.807476	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+3H"	3.021828
"1163180"	191.274009333333	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+3H"	3.021828
"425721"	1159.634223	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+NH4"	18.033823
"786112"	1730.434423	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+NH4"	18.033823
"1682080"	588.834023	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+NH4"	18.033823
"334613"	580.3207495	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+H+NH4"	19.041099
"727035"	865.7208495	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+H+NH4"	19.041099
"1479762"	294.9206495	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H+NH4"	19.041099
"400634"	1164.589618	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+Na"	22.989218
"758347"	1735.389818	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+Na"	22.989218
"1607540"	593.789418	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Na"	22.989218
"317939"	582.798447	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+H+Na"	23.996494
"709994"	868.198547	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+H+Na"	23.996494
"1463085"	297.398347	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H+Na"	23.996494
"1055971"	198.601323333333	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2H+Na"	25.00377
"1258376"	603.833686	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+CH3OH+H"	33.033486
"379130"	1180.563558	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+K"	38.963158
"739412"	1751.363758	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+K"	38.963158
"1541462"	609.763358	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+K"	38.963158
"300829"	590.785417	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+H+K"	39.970434
"702001"	876.185517	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+H+K"	39.970434
"1455821"	305.385317	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H+K"	39.970434
"244425"	1183.634226	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+ACN+H"	42.033826
"1214947"	612.834026	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+ACN+H"	42.033826
"1199923"	306.920651	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+ACN+2H"	43.041102
"191334"	1186.57156	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+2Na-H"	44.97116
"640014"	1757.37176	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+2Na-H"	44.97116
"1136227"	615.77136	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2Na-H"	44.97116
"173687"	593.789418	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+2Na"	45.978436
"616532"	879.189518	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+2Na"	45.978436
"1125505"	308.389318	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2Na"	45.978436
"1403561"	205.928637333333	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H+2Na"	46.985712
"1437863"	617.812946	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H+HCOOH"	47.012746
"226464"	598.82244	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+3H2O+2H"	56.04448
"1512339"	631.86499	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+IsoProp+H"	61.06479
"411294"	601.776388	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+Na+K"	61.952376
"771559"	887.176488	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+Na+K"	61.952376
"1665595"	316.376288	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Na+K"	61.952376
"254782"	1205.616168	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+ACN+Na"	64.015768
"1231867"	634.815968	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+ACN+Na"	64.015768
"1716745"	634.839493	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+NH4+HCOOH"	64.039293
"1180277"	213.255951333333	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+3Na"	68.967654
"1651992"	639.794888	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Na+HCOOH"	68.994688
"161405"	1218.51944	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+2K-H"	76.91904
"598051"	1789.31964	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+2K-H"	76.91904
"1088032"	647.71924	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2K-H"	76.91904
"143026"	609.763358	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"2M+2K"	77.926316
"581485"	895.163458	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"3M+2K"	77.926316
"1071111"	324.363258	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2K"	77.926316
"1100673"	649.733792	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2K+H"	78.933592
"1337786"	649.821407	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+DMSO+H"	79.021207
"1006800"	653.860576	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2ACN+H"	83.060376
"1526269"	654.854208	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+IsoProp+Na+H"	84.054008
"989939"	327.433926	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+2ACN+2H"	84.067652
"1587092"	655.768828	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+K+HCOOH"	84.968628
"1416526"	685.800338	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+H+CF3COOH"	115.000138
"1147908"	347.947201	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+3ACN+2H"	125.094202
"1698553"	702.826885	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+NH4+CF3COOH"	132.026685
"1641496"	707.78228	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+Na+CF3COOH"	136.98208
"1576055"	723.75622	"C08217"	"Iopanoic acid"	"C11H12I3NO2"	"570.8002"	"M+K+CF3COOH"	152.95602
"808610"	165.8682	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M"	0
"987611"	146.84981	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-H2O-H"	-19.01839
"67106"	109.571524	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M-3H"	-3.021828
"514326"	164.860924	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M-3H"	-3.021828
"893222"	54.282124	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-3H"	-3.021828
"10702"	164.860924	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M-2H"	-2.014552
"445888"	247.795024	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M-2H"	-2.014552
"825878"	81.926824	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-2H"	-2.014552
"86963"	330.729124	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M-H"	-1.007276
"531751"	496.597324	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M-H"	-1.007276
"907608"	164.860924	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-H"	-1.007276
"53234"	347.755671	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M-2H+NH4"	16.019271
"493888"	513.623871	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M-2H+NH4"	16.019271
"873877"	181.887471	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-2H+NH4"	16.019271
"45183"	352.711066	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M-2H+Na"	20.974666
"485349"	518.579266	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M-2H+Na"	20.974666
"860235"	186.842866	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-2H+Na"	20.974666
"1627580"	186.842866	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Na-2H"	20.974666
"103015"	182.849263	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M-H+Cl"	33.962126
"537105"	265.783363	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M-H+Cl"	33.962126
"931714"	99.915163	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-H+Cl"	33.962126
"270999"	366.705802	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+Cl"	34.969402
"665972"	532.574002	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+Cl"	34.969402
"1276553"	200.837602	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Cl"	34.969402
"19846"	368.685006	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M-2H+K"	36.948606
"463784"	534.553206	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M-2H+K"	36.948606
"844868"	202.816806	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-2H+K"	36.948606
"1567263"	202.816806	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+K-2H"	36.948606
"954419"	210.866394	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-H+HCOOH"	44.998194
"366801"	376.734601	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+HCOOH-H"	44.998201
"356152"	390.750251	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+Hac-H"	59.013851
"1503527"	224.882051	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Hac-H"	59.013851
"962685"	232.848351	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-H+NaCOOH"	66.980151
"120339"	200.837602	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+2Cl"	69.938804
"558805"	283.771702	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+2Cl"	69.938804
"1034165"	117.903502	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2Cl"	69.938804
"1254838"	244.787085	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Br"	78.918885
"1317285"	246.843072	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Cl+HCOOH"	80.974872
"1333688"	268.825029	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Cl+NaCOOH"	102.956829
"925718"	278.853786	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M-H+CF3COOH"	112.985586
"1297078"	314.830464	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Cl+CF3COOH"	148.962264
"1376334"	130.855524	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H-2H2O"	-35.012676
"1393832"	148.8655	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H-H2O"	-17.0027
"297649"	332.743676	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+H"	1.007276
"682659"	498.611876	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+H"	1.007276
"1356821"	166.875476	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H"	1.007276
"131897"	166.875476	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+2H"	2.014552
"569272"	249.809576	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+2H"	2.014552
"1043539"	83.941376	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2H"	2.014552
"208523"	111.586076	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+3H"	3.021828
"647720"	166.875476	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+3H"	3.021828
"1165843"	56.296676	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+3H"	3.021828
"431302"	349.770223	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+NH4"	18.033823
"790110"	515.638423	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+NH4"	18.033823
"1686444"	183.902023	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+NH4"	18.033823
"339097"	175.3887495	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+H+NH4"	19.041099
"730425"	258.3228495	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+H+NH4"	19.041099
"1483152"	92.4546495	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H+NH4"	19.041099
"397464"	354.725618	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+Na"	22.989218
"761739"	520.593818	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+Na"	22.989218
"1607649"	188.857418	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Na"	22.989218
"318050"	177.866447	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+H+Na"	23.996494
"711199"	260.800547	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+H+Na"	23.996494
"1467203"	94.932347	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H+Na"	23.996494
"1054988"	63.62399	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2H+Na"	25.00377
"1259577"	198.901686	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+CH3OH+H"	33.033486
"379972"	370.699558	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+K"	38.963158
"739521"	536.567758	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+K"	38.963158
"1543760"	204.831358	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+K"	38.963158
"302032"	185.853417	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+H+K"	39.970434
"702110"	268.787517	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+H+K"	39.970434
"1452654"	102.919317	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H+K"	39.970434
"241253"	373.770226	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+ACN+H"	42.033826
"1215057"	207.902026	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+ACN+H"	42.033826
"1197848"	104.454651	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+ACN+2H"	43.041102
"191812"	376.70756	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+2Na-H"	44.97116
"632831"	542.57576	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+2Na-H"	44.97116
"1134515"	210.83936	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2Na-H"	44.97116
"185463"	188.857418	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+2Na"	45.978436
"621017"	271.791518	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+2Na"	45.978436
"1121241"	105.923318	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2Na"	45.978436
"1408046"	70.951304	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H+2Na"	46.985712
"1437973"	212.880946	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H+HCOOH"	47.012746
"229858"	193.89044	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+3H2O+2H"	56.04448
"1514636"	226.93299	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+IsoProp+H"	61.06479
"410314"	196.844388	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+Na+K"	61.952376
"771311"	279.778488	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+Na+K"	61.952376
"1666914"	113.910288	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Na+K"	61.952376
"252338"	395.752168	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+ACN+Na"	64.015768
"1233069"	229.883968	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+ACN+Na"	64.015768
"1720865"	229.907493	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+NH4+HCOOH"	64.039293
"1182939"	78.278618	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+3Na"	68.967654
"1655018"	234.862888	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Na+HCOOH"	68.994688
"157628"	408.65544	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+2K-H"	76.91904
"598282"	574.52364	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+2K-H"	76.91904
"1085347"	242.78724	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2K-H"	76.91904
"144959"	204.831358	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"2M+2K"	77.926316
"582202"	287.765458	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"3M+2K"	77.926316
"1069394"	121.897258	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2K"	77.926316
"1100083"	244.801792	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2K+H"	78.933592
"1336313"	244.889407	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+DMSO+H"	79.021207
"1009346"	248.928576	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2ACN+H"	83.060376
"1528567"	249.922208	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+IsoProp+Na+H"	84.054008
"992827"	124.967926	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+2ACN+2H"	84.067652
"1587450"	250.836828	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+K+HCOOH"	84.968628
"1414692"	280.868338	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+H+CF3COOH"	115.000138
"1149113"	145.481201	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+3ACN+2H"	125.094202
"1700489"	297.894885	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+NH4+CF3COOH"	132.026685
"1643792"	302.85028	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+Na+CF3COOH"	136.98208
"1577258"	318.82422	"C08219"	"Potassium iodide"	"KI"	"165.8682"	"M+K+CF3COOH"	152.95602
"813096"	1345.5671	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M"	0
"981160"	1326.54871	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-H2O-H"	-19.01839
"70496"	896.037457333333	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M-3H"	-3.021828
"513339"	1344.559824	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M-3H"	-3.021828
"888957"	447.515090666667	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-3H"	-3.021828
"4251"	1344.559824	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M-2H"	-2.014552
"452559"	2017.343374	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M-2H"	-2.014552
"825988"	671.776274	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-2H"	-2.014552
"91447"	2690.126924	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M-H"	-1.007276
"526634"	4035.694024	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M-H"	-1.007276
"904436"	1344.559824	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-H"	-1.007276
"52614"	2707.153471	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M-2H+NH4"	16.019271
"493994"	4052.720571	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M-2H+NH4"	16.019271
"870705"	1361.586371	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-2H+NH4"	16.019271
"39699"	2712.108866	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M-2H+Na"	20.974666
"479260"	4057.675966	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M-2H+Na"	20.974666
"862167"	1366.541766	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-2H+Na"	20.974666
"1630970"	1366.541766	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Na-2H"	20.974666
"102031"	1362.548163	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M-H+Cl"	33.962126
"539405"	2035.331713	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M-H+Cl"	33.962126
"931826"	689.764613	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-H+Cl"	33.962126
"271108"	2726.103602	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+Cl"	34.969402
"663895"	4071.670702	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+Cl"	34.969402
"1275934"	1380.536502	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Cl"	34.969402
"22141"	2728.082806	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M-2H+K"	36.948606
"458785"	4073.649906	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M-2H+K"	36.948606
"836227"	1382.515706	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-2H+K"	36.948606
"1565185"	1382.515706	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+K-2H"	36.948606
"953069"	1390.565294	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-H+HCOOH"	44.998194
"370192"	2736.132401	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+HCOOH-H"	44.998201
"356262"	2750.148051	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+Hac-H"	59.013851
"1503636"	1404.580951	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Hac-H"	59.013851
"969720"	1412.547251	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-H+NaCOOH"	66.980151
"122271"	1380.536502	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+2Cl"	69.938804
"561467"	2053.320052	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+2Cl"	69.938804
"1034275"	707.752952	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2Cl"	69.938804
"1256170"	1424.485985	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Br"	78.918885
"1318854"	1426.541972	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Cl+HCOOH"	80.974872
"1333799"	1448.523929	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Cl+NaCOOH"	102.956829
"919386"	1458.552686	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M-H+CF3COOH"	112.985586
"1297189"	1494.529364	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Cl+CF3COOH"	148.962264
"1377537"	1310.554424	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H-2H2O"	-35.012676
"1396128"	1328.5644	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H-H2O"	-17.0027
"291440"	2692.141476	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+H"	1.007276
"679488"	4037.708576	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+H"	1.007276
"1357295"	1346.574376	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H"	1.007276
"133102"	1346.574376	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+2H"	2.014552
"577038"	2019.357926	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+2H"	2.014552
"1045836"	673.790826	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2H"	2.014552
"212643"	898.052009333333	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+3H"	3.021828
"653298"	1346.574376	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+3H"	3.021828
"1167044"	449.529642666667	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+3H"	3.021828
"431415"	2709.168023	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+NH4"	18.033823
"792410"	4054.735123	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+NH4"	18.033823
"1686554"	1363.600923	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+NH4"	18.033823
"338115"	1355.0876495	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+H+NH4"	19.041099
"731629"	2027.8711995	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+H+NH4"	19.041099
"1488729"	682.3040995	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H+NH4"	19.041099
"401942"	2714.123418	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+Na"	22.989218
"759663"	4059.690518	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+Na"	22.989218
"1608852"	1368.556318	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Na"	22.989218
"317796"	1357.565347	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+H+Na"	23.996494
"711312"	2030.348897	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+H+Na"	23.996494
"1465496"	684.781797	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H+Na"	23.996494
"1057643"	456.856956666667	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2H+Na"	25.00377
"1260052"	1378.600586	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+CH3OH+H"	33.033486
"380811"	2730.097358	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+K"	38.963158
"741442"	4075.664458	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+K"	38.963158
"1541317"	1384.530258	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+K"	38.963158
"302140"	1365.552317	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+H+K"	39.970434
"703314"	2038.335867	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+H+K"	39.970434
"1453853"	692.768767	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H+K"	39.970434
"240631"	2733.168026	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+ACN+H"	42.033826
"1213704"	1387.600926	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+ACN+H"	42.033826
"1200142"	694.304101	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+ACN+2H"	43.041102
"193012"	2736.10536	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+2Na-H"	44.97116
"635859"	4081.67246	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+2Na-H"	44.97116
"1134258"	1390.53826	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2Na-H"	44.97116
"184843"	1368.556318	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+2Na"	45.978436
"626593"	2041.339868	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+2Na"	45.978436
"1130099"	695.772768	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2Na"	45.978436
"1412528"	464.184270666667	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H+2Na"	46.985712
"1441365"	1392.579846	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H+HCOOH"	47.012746
"229967"	1373.58934	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+3H2O+2H"	56.04448
"1518030"	1406.63189	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+IsoProp+H"	61.06479
"411152"	1376.543288	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+Na+K"	61.952376
"771417"	2049.326838	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+Na+K"	61.952376
"1668485"	703.759738	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Na+K"	61.952376
"254996"	2755.149968	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+ACN+Na"	64.015768
"1233180"	1409.582868	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+ACN+Na"	64.015768
"1720248"	1409.606393	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+NH4+HCOOH"	64.039293
"1180498"	471.511584666667	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+3Na"	68.967654
"1656224"	1414.561788	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Na+HCOOH"	68.994688
"161262"	2768.05324	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+2K-H"	76.91904
"599488"	4113.62034	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+2K-H"	76.91904
"1085698"	1422.48614	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2K-H"	76.91904
"145069"	1384.530258	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"2M+2K"	77.926316
"581660"	2057.313808	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"3M+2K"	77.926316
"1068845"	711.746708	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2K"	77.926316
"1100519"	1424.500692	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2K+H"	78.933592
"1337886"	1424.588307	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+DMSO+H"	79.021207
"1008361"	1428.627476	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2ACN+H"	83.060376
"1528676"	1429.621108	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+IsoProp+Na+H"	84.054008
"991843"	714.817376	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+2ACN+2H"	84.067652
"1587433"	1430.535728	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+K+HCOOH"	84.968628
"1416381"	1460.567238	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+H+CF3COOH"	115.000138
"1153233"	735.330651	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+3ACN+2H"	125.094202
"1703879"	1477.593785	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+NH4+CF3COOH"	132.026685
"1634542"	1482.54918	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+Na+CF3COOH"	136.98208
"1577368"	1498.52312	"C08230"	"Hydroxocobalamin;Vitamin B12a;Hydroxycobalamin;Hydroxycob(lll)alamin"	"C62H89CoN13O15P"	"1345.5671"	"M+K+CF3COOH"	152.95602
"805546"	283.0011	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M"	0
"985645"	263.98271	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-H2O-H"	-19.01839
"76074"	187.660124	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M-3H"	-3.021828
"516731"	281.993824	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M-3H"	-3.021828
"891254"	93.326424	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-3H"	-3.021828
"7641"	281.993824	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M-2H"	-2.014552
"449389"	423.494374	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M-2H"	-2.014552
"825002"	140.493274	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-2H"	-2.014552
"87182"	564.994924	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M-H"	-1.007276
"526743"	847.996024	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M-H"	-1.007276
"907826"	281.993824	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-H"	-1.007276
"54544"	582.021471	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M-2H+NH4"	16.019271
"494103"	865.022571	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M-2H+NH4"	16.019271
"870814"	299.020371	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-2H+NH4"	16.019271
"39809"	586.976866	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M-2H+Na"	20.974666
"479370"	869.977966	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M-2H+Na"	20.974666
"862277"	303.975766	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-2H+Na"	20.974666
"1626706"	303.975766	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Na-2H"	20.974666
"102141"	299.982163	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M-H+Cl"	33.962126
"538787"	441.482713	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M-H+Cl"	33.962126
"930843"	158.481613	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-H+Cl"	33.962126
"269759"	600.971602	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+Cl"	34.969402
"664371"	883.972702	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+Cl"	34.969402
"1274949"	317.970502	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Cl"	34.969402
"22251"	602.950806	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M-2H+K"	36.948606
"461813"	885.951906	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M-2H+K"	36.948606
"835243"	319.949706	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-2H+K"	36.948606
"1564202"	319.949706	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+K-2H"	36.948606
"956095"	327.999294	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-H+HCOOH"	44.998194
"375041"	611.000401	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+HCOOH-H"	44.998201
"358561"	625.016051	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+Hac-H"	59.013851
"1507758"	342.014951	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Hac-H"	59.013851
"973688"	349.981251	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-H+NaCOOH"	66.980151
"122381"	317.970502	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+2Cl"	69.938804
"563035"	459.471052	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+2Cl"	69.938804
"1035724"	176.469952	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2Cl"	69.938804
"1257010"	361.919985	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Br"	78.918885
"1315319"	363.975972	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Cl+HCOOH"	80.974872
"1335252"	385.957929	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Cl+NaCOOH"	102.956829
"918403"	395.986686	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M-H+CF3COOH"	112.985586
"1297299"	431.963364	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Cl+CF3COOH"	148.962264
"1373274"	247.988424	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H-2H2O"	-35.012676
"1392958"	265.9984	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H-H2O"	-17.0027
"287177"	567.009476	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+H"	1.007276
"680692"	850.010576	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+H"	1.007276
"1358133"	284.008376	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H"	1.007276
"132119"	284.008376	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+2H"	2.014552
"577148"	425.508926	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+2H"	2.014552
"1048133"	142.507826	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2H"	2.014552
"214940"	189.674676	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+3H"	3.021828
"654502"	284.008376	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+3H"	3.021828
"1167157"	95.340976	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+3H"	3.021828
"431525"	584.036023	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+NH4"	18.033823
"791427"	867.037123	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+NH4"	18.033823
"1685936"	301.034923	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+NH4"	18.033823
"338225"	292.5216495	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+H+NH4"	19.041099
"732833"	434.0221995	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+H+NH4"	19.041099
"1486652"	151.0210995	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H+NH4"	19.041099
"400959"	588.991418	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+Na"	22.989218
"759773"	871.992518	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+Na"	22.989218
"1608963"	305.990318	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Na"	22.989218
"316813"	294.999347	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+H+Na"	23.996494
"711423"	436.499897	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+H+Na"	23.996494
"1464147"	153.498797	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H+Na"	23.996494
"1056659"	102.66829	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2H+Na"	25.00377
"1258097"	316.034586	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+CH3OH+H"	33.033486
"380921"	604.965358	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+K"	38.963158
"741918"	887.966458	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+K"	38.963158
"1541184"	321.964258	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+K"	38.963158
"300427"	302.986317	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+H+K"	39.970434
"703424"	444.486867	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+H+K"	39.970434
"1453963"	161.485767	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H+K"	39.970434
"239648"	608.036026	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+ACN+H"	42.033826
"1213814"	325.034926	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+ACN+H"	42.033826
"1200616"	163.021101	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+ACN+2H"	43.041102
"193486"	610.97336	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+2Na-H"	44.97116
"635968"	893.97446	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+2Na-H"	44.97116
"1134003"	327.97226	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2Na-H"	44.97116
"178392"	305.990318	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+2Na"	45.978436
"627673"	447.490868	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+2Na"	45.978436
"1130086"	164.489768	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2Na"	45.978436
"1411545"	109.995604	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H+2Na"	46.985712
"1442566"	330.013846	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H+HCOOH"	47.012746
"231168"	311.02334	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+3H2O+2H"	56.04448
"1518137"	344.06589	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+IsoProp+H"	61.06479
"416730"	313.977288	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+Na+K"	61.952376
"771893"	455.477838	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+Na+K"	61.952376
"1670783"	172.476738	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Na+K"	61.952376
"252188"	630.017968	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+ACN+Na"	64.015768
"1234383"	347.016868	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+ACN+Na"	64.015768
"1722179"	347.040393	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+NH4+HCOOH"	64.039293
"1185347"	117.322918	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+3Na"	68.967654
"1656333"	351.995788	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Na+HCOOH"	68.994688
"161008"	642.92124	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+2K-H"	76.91904
"599477"	925.92234	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+2K-H"	76.91904
"1086901"	359.92014	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2K-H"	76.91904
"145179"	321.964258	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"2M+2K"	77.926316
"589846"	463.464808	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"3M+2K"	77.926316
"1069860"	180.463708	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2K"	77.926316
"1100067"	361.934692	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2K+H"	78.933592
"1337876"	362.022307	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+DMSO+H"	79.021207
"1010659"	366.061476	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2ACN+H"	83.060376
"1530972"	367.055108	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+IsoProp+Na+H"	84.054008
"996328"	183.534376	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+2ACN+2H"	84.067652
"1589372"	367.969728	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+K+HCOOH"	84.968628
"1424146"	398.001238	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+H+CF3COOH"	115.000138
"1153343"	204.047651	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+3ACN+2H"	125.094202
"1703989"	415.027785	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+NH4+CF3COOH"	132.026685
"1640732"	419.98318	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+Na+CF3COOH"	136.98208
"1577478"	435.95712	"C08233"	"Risedronic acid;Risedronate"	"C7H11NO7P2"	"283.0011"	"M+K+CF3COOH"	152.95602
"805656"	162.0892	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M"	0
"985755"	143.07081	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-H2O-H"	-19.01839
"75091"	107.052190666667	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M-3H"	-3.021828
"513561"	161.081924	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M-3H"	-3.021828
"886990"	53.0224573333333	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-3H"	-3.021828
"6656"	161.081924	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M-2H"	-2.014552
"448404"	242.126524	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M-2H"	-2.014552
"825111"	80.037324	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-2H"	-2.014552
"88385"	323.171124	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M-H"	-1.007276
"532077"	485.260324	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M-H"	-1.007276
"905746"	161.081924	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-H"	-1.007276
"55749"	340.197671	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M-2H+NH4"	16.019271
"497494"	502.286871	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M-2H+NH4"	16.019271
"869828"	178.108471	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-2H+NH4"	16.019271
"36639"	345.153066	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M-2H+Na"	20.974666
"479479"	507.242266	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M-2H+Na"	20.974666
"861658"	183.063866	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-2H+Na"	20.974666
"1627909"	183.063866	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Na-2H"	20.974666
"101157"	179.070263	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M-H+Cl"	33.962126
"542906"	260.114863	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M-H+Cl"	33.962126
"933140"	98.025663	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-H+Cl"	33.962126
"269869"	359.147802	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+Cl"	34.969402
"663389"	521.237002	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+Cl"	34.969402
"1274697"	197.058602	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Cl"	34.969402
"24548"	361.127006	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M-2H+K"	36.948606
"465203"	523.216206	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M-2H+K"	36.948606
"834258"	199.037806	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-2H+K"	36.948606
"1564309"	199.037806	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+K-2H"	36.948606
"953289"	207.087394	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-H+HCOOH"	44.998194
"372598"	369.176601	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+HCOOH-H"	44.998201
"359034"	383.192251	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+Hac-H"	59.013851
"1506045"	221.103051	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Hac-H"	59.013851
"972856"	229.069351	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-H+NaCOOH"	66.980151
"123948"	197.058602	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+2Cl"	69.938804
"564238"	278.103202	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+2Cl"	69.938804
"1035834"	116.014002	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2Cl"	69.938804
"1255657"	241.008085	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Br"	78.918885
"1318709"	243.064072	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Cl+HCOOH"	80.974872
"1334993"	265.046029	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Cl+NaCOOH"	102.956829
"918513"	275.074786	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M-H+CF3COOH"	112.985586
"1300690"	311.051464	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Cl+CF3COOH"	148.962264
"1376664"	127.076524	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H-2H2O"	-35.012676
"1389788"	145.0865	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H-H2O"	-17.0027
"285464"	325.185676	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+H"	1.007276
"679709"	487.274876	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+H"	1.007276
"1354964"	163.096476	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H"	1.007276
"132229"	163.096476	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+2H"	2.014552
"577258"	244.141076	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+2H"	2.014552
"1046056"	82.051876	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2H"	2.014552
"211770"	109.066742666667	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+3H"	3.021828
"653518"	163.096476	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+3H"	3.021828
"1169453"	55.0370093333333	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+3H"	3.021828
"429448"	342.212223	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+NH4"	18.033823
"794817"	504.301423	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+NH4"	18.033823
"1687867"	180.123023	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+NH4"	18.033823
"339428"	171.6097495	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+H+NH4"	19.041099
"734036"	252.6543495	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+H+NH4"	19.041099
"1486763"	90.5651495	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H+NH4"	19.041099
"405443"	347.167618	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+Na"	22.989218
"763160"	509.256818	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+Na"	22.989218
"1606886"	185.078418	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Na"	22.989218
"317287"	174.087447	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+H+Na"	23.996494
"711529"	255.132047	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+H+Na"	23.996494
"1463893"	93.042847	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H+Na"	23.996494
"1059683"	62.3643233333333	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2H+Na"	25.00377
"1263550"	195.122686	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+CH3OH+H"	33.033486
"381029"	363.141558	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+K"	38.963158
"742027"	525.230758	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+K"	38.963158
"1540119"	201.052358	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+K"	38.963158
"299201"	182.074417	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+H+K"	39.970434
"704627"	263.119017	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+H+K"	39.970434
"1454073"	101.029817	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H+K"	39.970434
"239758"	366.212226	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+ACN+H"	42.033826
"1212831"	204.123026	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+ACN+H"	42.033826
"1201455"	102.565151	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+ACN+2H"	43.041102
"192502"	369.14956	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+2Na-H"	44.97116
"634985"	531.23876	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+2Na-H"	44.97116
"1134843"	207.06036	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2Na-H"	44.97116
"179595"	185.078418	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+2Na"	45.978436
"627665"	266.123018	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+2Na"	45.978436
"1129223"	104.033818	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2Na"	45.978436
"1412507"	69.6916373333333	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H+2Na"	46.985712
"1441583"	209.101946	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H+HCOOH"	47.012746
"229090"	190.11144	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+3H2O+2H"	56.04448
"1513870"	223.15399	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+IsoProp+H"	61.06479
"414651"	193.065388	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+Na+K"	61.952376
"775647"	274.109988	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+Na+K"	61.952376
"1670886"	112.020788	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Na+K"	61.952376
"251937"	388.194168	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+ACN+Na"	64.015768
"1225984"	226.104968	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+ACN+Na"	64.015768
"1717913"	226.128493	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+NH4+HCOOH"	64.039293
"1185458"	77.0189513333333	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+3Na"	68.967654
"1653163"	231.083888	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Na+HCOOH"	68.994688
"162211"	401.09744	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+2K-H"	76.91904
"602867"	563.18664	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+2K-H"	76.91904
"1085067"	239.00824	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2K-H"	76.91904
"147477"	201.052358	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"2M+2K"	77.926316
"590321"	282.096958	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"3M+2K"	77.926316
"1074832"	120.007758	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2K"	77.926316
"1102574"	241.022792	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2K+H"	78.933592
"1343333"	241.110407	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+DMSO+H"	79.021207
"1010768"	245.149576	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2ACN+H"	83.060376
"1531082"	246.143208	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+IsoProp+Na+H"	84.054008
"998625"	123.078426	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+2ACN+2H"	84.067652
"1589848"	247.057828	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+K+HCOOH"	84.968628
"1424256"	277.089338	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+H+CF3COOH"	115.000138
"1152359"	143.591701	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+3ACN+2H"	125.094202
"1704099"	294.115885	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+NH4+CF3COOH"	132.026685
"1640842"	299.07128	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+Na+CF3COOH"	136.98208
"1577588"	315.04522	"C08234"	"beta-Cymaropyranose;D-Cymarose;Cymarose;26-Dideoxy-3-O-methyl-D-ribo-hexose"	"C7H14O4"	"162.0892"	"M+K+CF3COOH"	152.95602
"805766"	178.0841	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M"	0
"983678"	159.06571	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-H2O-H"	-19.01839
"73014"	117.715457333333	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M-3H"	-3.021828
"510392"	177.076824	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M-3H"	-3.021828
"888194"	58.3540906666667	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-3H"	-3.021828
"3487"	177.076824	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M-2H"	-2.014552
"446327"	266.118874	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M-2H"	-2.014552
"824129"	88.034774	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-2H"	-2.014552
"88494"	355.160924	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M-H"	-1.007276
"532308"	533.245024	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M-H"	-1.007276
"904763"	177.076824	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-H"	-1.007276
"56952"	372.187471	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M-2H+NH4"	16.019271
"496511"	550.271571	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M-2H+NH4"	16.019271
"869938"	194.103371	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-2H+NH4"	16.019271
"37112"	377.142866	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M-2H+Na"	20.974666
"479588"	555.226966	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M-2H+Na"	20.974666
"860673"	199.058766	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-2H+Na"	20.974666
"1624739"	199.058766	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Na-2H"	20.974666
"101266"	195.065163	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M-H+Cl"	33.962126
"538643"	284.107213	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M-H+Cl"	33.962126
"930698"	106.023113	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-H+Cl"	33.962126
"269982"	391.137602	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+Cl"	34.969402
"663499"	569.221702	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+Cl"	34.969402
"1274807"	213.053502	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Cl"	34.969402
"17367"	393.116806	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M-2H+K"	36.948606
"457656"	571.200906	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M-2H+K"	36.948606
"833026"	215.032706	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-2H+K"	36.948606
"1555867"	215.032706	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+K-2H"	36.948606
"947932"	223.082294	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-H+HCOOH"	44.998194
"369427"	401.166401	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+HCOOH-H"	44.998201
"356591"	415.182051	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+Hac-H"	59.013851
"1501050"	237.097951	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Hac-H"	59.013851
"971144"	245.064251	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-H+NaCOOH"	66.980151
"122965"	213.053502	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+2Cl"	69.938804
"560338"	302.095552	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+2Cl"	69.938804
"1034607"	124.011452	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2Cl"	69.938804
"1255278"	257.002985	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Br"	78.918885
"1315539"	259.058972	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Cl+HCOOH"	80.974872
"1330849"	281.040929	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Cl+NaCOOH"	102.956829
"915343"	291.069686	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M-H+CF3COOH"	112.985586
"1296426"	327.046364	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Cl+CF3COOH"	148.962264
"1373494"	143.071424	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H-2H2O"	-35.012676
"1386618"	161.0814	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H-H2O"	-17.0027
"284481"	357.175476	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+H"	1.007276
"678726"	535.259576	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+H"	1.007276
"1353981"	179.091376	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H"	1.007276
"132340"	179.091376	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+2H"	2.014552
"576275"	268.133426	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+2H"	2.014552
"1046166"	90.049326	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2H"	2.014552
"211880"	119.730009333333	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+3H"	3.021828
"653628"	179.091376	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+3H"	3.021828
"1168470"	60.3686426666667	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+3H"	3.021828
"428465"	374.202023	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+NH4"	18.033823
"794927"	552.286123	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+NH4"	18.033823
"1687978"	196.117923	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+NH4"	18.033823
"339538"	187.6046495	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+H+NH4"	19.041099
"733053"	276.6466995	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+H+NH4"	19.041099
"1486873"	98.5625995	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H+NH4"	19.041099
"405553"	379.157418	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+Na"	22.989218
"762176"	557.241518	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+Na"	22.989218
"1606631"	201.073318	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Na"	22.989218
"317761"	190.082347	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+H+Na"	23.996494
"712732"	279.124397	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+H+Na"	23.996494
"1466189"	101.040297	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H+Na"	23.996494
"1057608"	67.6959566666667	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2H+Na"	25.00377
"1262567"	211.117586	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+CH3OH+H"	33.033486
"382232"	395.131358	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+K"	38.963158
"742137"	573.215458	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+K"	38.963158
"1543104"	217.047258	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+K"	38.963158
"299554"	198.069317	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+H+K"	39.970434
"705830"	287.111367	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+H+K"	39.970434
"1454183"	109.027267	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H+K"	39.970434
"240961"	398.202026	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+ACN+H"	42.033826
"1211848"	220.117926	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+ACN+H"	42.033826
"1202658"	110.562601	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+ACN+2H"	43.041102
"193341"	401.13936	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+2Na-H"	44.97116
"635095"	579.22346	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+2Na-H"	44.97116
"1134952"	223.05526	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2Na-H"	44.97116
"179705"	201.073318	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+2Na"	45.978436
"625827"	290.115368	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+2Na"	45.978436
"1129333"	112.031268	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2Na"	45.978436
"1412497"	75.0232706666667	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H+2Na"	46.985712
"1442786"	225.096846	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H+HCOOH"	47.012746
"228107"	206.10634	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+3H2O+2H"	56.04448
"1512887"	239.14889	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+IsoProp+H"	61.06479
"415855"	209.060288	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+Na+K"	61.952376
"775028"	298.102338	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+Na+K"	61.952376
"1670630"	120.018238	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Na+K"	61.952376
"252168"	420.183968	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+ACN+Na"	64.015768
"1226333"	242.099868	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+ACN+Na"	64.015768
"1713034"	242.123393	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+NH4+HCOOH"	64.039293
"1184110"	82.3505846666667	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+3Na"	68.967654
"1653272"	247.078788	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Na+HCOOH"	68.994688
"157579"	433.08724	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+2K-H"	76.91904
"598966"	611.17134	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+2K-H"	76.91904
"1085054"	255.00314	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2K-H"	76.91904
"147587"	217.047258	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"2M+2K"	77.926316
"588242"	306.089308	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"3M+2K"	77.926316
"1074942"	128.005208	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2K"	77.926316
"1102684"	257.017692	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2K+H"	78.933592
"1343443"	257.105307	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+DMSO+H"	79.021207
"1010878"	261.144476	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2ACN+H"	83.060376
"1531192"	262.138108	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+IsoProp+Na+H"	84.054008
"996547"	131.075876	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+2ACN+2H"	84.067652
"1590322"	263.052728	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+K+HCOOH"	84.968628
"1422179"	293.084238	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+H+CF3COOH"	115.000138
"1152469"	151.589151	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+3ACN+2H"	125.094202
"1704209"	310.110785	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+NH4+CF3COOH"	132.026685
"1640952"	315.06618	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+Na+CF3COOH"	136.98208
"1576605"	331.04012	"C08235"	"Digitalose;beta-D-Digitalopyranose"	"C7H14O5"	"178.0841"	"M+K+CF3COOH"	152.95602
"809157"	210.074	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M"	0
"988891"	191.05561	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-H2O-H"	-19.01839
"77501"	139.042057333333	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M-3H"	-3.021828
"515969"	209.066724	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M-3H"	-3.021828
"894623"	69.0173906666667	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-3H"	-3.021828
"6877"	209.066724	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M-2H"	-2.014552
"454702"	314.103724	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M-2H"	-2.014552
"829707"	104.029724	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-2H"	-2.014552
"93227"	419.140724	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M-H"	-1.007276
"533153"	629.214724	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M-H"	-1.007276
"909250"	209.066724	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-H"	-1.007276
"61316"	436.167271	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M-2H+NH4"	16.019271
"496620"	646.241271	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M-2H+NH4"	16.019271
"869320"	226.093271	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-2H+NH4"	16.019271
"41232"	441.122666	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M-2H+Na"	20.974666
"484071"	651.196666	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M-2H+Na"	20.974666
"861876"	231.048666	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-2H+Na"	20.974666
"1628129"	231.048666	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Na-2H"	20.974666
"101010"	227.055063	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M-H+Cl"	33.962126
"542032"	332.092063	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M-H+Cl"	33.962126
"934455"	122.018063	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-H+Cl"	33.962126
"271549"	455.117402	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+Cl"	34.969402
"664701"	665.191402	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+Cl"	34.969402
"1274919"	245.043402	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Cl"	34.969402
"23674"	457.096606	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M-2H+K"	36.948606
"463235"	667.170606	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M-2H+K"	36.948606
"836665"	247.022606	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-2H+K"	36.948606
"1556872"	247.022606	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+K-2H"	36.948606
"951323"	255.072194	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-H+HCOOH"	44.998194
"371724"	465.146201	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+HCOOH-H"	44.998201
"357795"	479.161851	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+Hac-H"	59.013851
"1503347"	269.087851	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Hac-H"	59.013851
"970888"	277.054151	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-H+NaCOOH"	66.980151
"124902"	245.043402	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+2Cl"	69.938804
"565191"	350.080402	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+2Cl"	69.938804
"1035809"	140.006402	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2Cl"	69.938804
"1256359"	288.992885	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Br"	78.918885
"1315649"	291.048872	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Cl+HCOOH"	80.974872
"1330958"	313.030829	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Cl+NaCOOH"	102.956829
"918734"	323.059586	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M-H+CF3COOH"	112.985586
"1293256"	359.036264	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Cl+CF3COOH"	148.962264
"1371418"	175.061324	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H-2H2O"	-35.012676
"1395476"	193.0713	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H-H2O"	-17.0027
"287508"	421.155276	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+H"	1.007276
"686491"	631.229276	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+H"	1.007276
"1358467"	211.081276	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H"	1.007276
"139011"	211.081276	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+2H"	2.014552
"577478"	316.118276	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+2H"	2.014552
"1047371"	106.044276	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2H"	2.014552
"214179"	141.056609333333	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+3H"	3.021828
"653739"	211.081276	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+3H"	3.021828
"1170770"	71.0319426666667	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+3H"	3.021828
"436228"	438.181823	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+NH4"	18.033823
"795037"	648.255823	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+NH4"	18.033823
"1684807"	228.107823	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+NH4"	18.033823
"335273"	219.5945495	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+H+NH4"	19.041099
"730975"	324.6315495	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+H+NH4"	19.041099
"1486983"	114.5575495	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H+NH4"	19.041099
"399102"	443.137218	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+Na"	22.989218
"760099"	653.211218	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+Na"	22.989218
"1605644"	233.063218	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Na"	22.989218
"315678"	222.072247	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+H+Na"	23.996494
"710652"	327.109247	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+H+Na"	23.996494
"1462164"	117.035247	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H+Na"	23.996494
"1053708"	78.3592566666667	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2H+Na"	25.00377
"1259762"	243.107486	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+CH3OH+H"	33.033486
"380155"	459.111158	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+K"	38.963158
"739087"	669.185158	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+K"	38.963158
"1545400"	249.037158	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+K"	38.963158
"300390"	230.059217	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+H+K"	39.970434
"704119"	335.096217	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+H+K"	39.970434
"1452106"	125.022217	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H+K"	39.970434
"240707"	462.181826	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+ACN+H"	42.033826
"1217792"	252.107826	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+ACN+H"	42.033826
"1202771"	126.557551	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+ACN+2H"	43.041102
"193087"	465.11916	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+2Na-H"	44.97116
"637393"	675.19316	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+2Na-H"	44.97116
"1135432"	255.04516	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2Na-H"	44.97116
"176534"	233.063218	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+2Na"	45.978436
"625937"	338.100218	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+2Na"	45.978436
"1128351"	128.026218	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2Na"	45.978436
"1409688"	85.6865706666667	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H+2Na"	46.985712
"1435605"	257.086746	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H+HCOOH"	47.012746
"228217"	238.09624	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+3H2O+2H"	56.04448
"1510081"	271.13879	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+IsoProp+H"	61.06479
"411226"	241.050188	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+Na+K"	61.952376
"776231"	346.087188	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+Na+K"	61.952376
"1670376"	136.013188	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Na+K"	61.952376
"252886"	484.163768	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+ACN+Na"	64.015768
"1225709"	274.089768	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+ACN+Na"	64.015768
"1714476"	274.113293	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+NH4+HCOOH"	64.039293
"1184216"	93.0138846666667	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+3Na"	68.967654
"1653747"	279.068688	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Na+HCOOH"	68.994688
"159515"	497.06704	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+2K-H"	76.91904
"605273"	707.14104	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+2K-H"	76.91904
"1090879"	286.99304	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2K-H"	76.91904
"148790"	249.037158	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"2M+2K"	77.926316
"588352"	354.074158	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"3M+2K"	77.926316
"1073959"	144.000158	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2K"	77.926316
"1106075"	289.007592	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2K+H"	78.933592
"1344646"	289.095207	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+DMSO+H"	79.021207
"1013175"	293.134376	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2ACN+H"	83.060376
"1525105"	294.128008	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+IsoProp+Na+H"	84.054008
"997750"	147.070826	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+2ACN+2H"	84.067652
"1590064"	295.042628	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+K+HCOOH"	84.968628
"1416820"	325.074138	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+H+CF3COOH"	115.000138
"1150390"	167.584101	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+3ACN+2H"	125.094202
"1701037"	342.100685	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+NH4+CF3COOH"	132.026685
"1635595"	347.05608	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+Na+CF3COOH"	136.98208
"1576715"	363.03002	"C08236"	"alpha-D-Mannoheptulopyranose;Mannoheptulose"	"C7H14O7"	"210.074"	"M+K+CF3COOH"	152.95602
"802706"	162.0892	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M"	0
"978431"	143.07081	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-H2O-H"	-19.01839
"71047"	107.052190666667	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M-3H"	-3.021828
"516076"	161.081924	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M-3H"	-3.021828
"893882"	53.0224573333333	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-3H"	-3.021828
"9174"	161.081924	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M-2H"	-2.014552
"453838"	242.126524	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M-2H"	-2.014552
"829817"	80.037324	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-2H"	-2.014552
"93089"	323.171124	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M-H"	-1.007276
"533016"	485.260324	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M-H"	-1.007276
"908265"	161.081924	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-H"	-1.007276
"61547"	340.197671	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M-2H+NH4"	16.019271
"496729"	502.286871	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M-2H+NH4"	16.019271
"870523"	178.108471	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-2H+NH4"	16.019271
"43528"	345.153066	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M-2H+Na"	20.974666
"483088"	507.242266	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M-2H+Na"	20.974666
"860892"	183.063866	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-2H+Na"	20.974666
"1628239"	183.063866	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Na-2H"	20.974666
"98569"	179.070263	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M-H+Cl"	33.962126
"542142"	260.114863	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M-H+Cl"	33.962126
"932379"	98.025663	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-H+Cl"	33.962126
"270566"	359.147802	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+Cl"	34.969402
"664811"	521.237002	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+Cl"	34.969402
"1275029"	197.058602	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Cl"	34.969402
"22691"	361.127006	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M-2H+K"	36.948606
"463345"	523.216206	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M-2H+K"	36.948606
"833007"	199.037806	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-2H+K"	36.948606
"1555761"	199.037806	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+K-2H"	36.948606
"948153"	207.087394	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-H+HCOOH"	44.998194
"367461"	369.176601	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+HCOOH-H"	44.998201
"355718"	383.192251	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+Hac-H"	59.013851
"1500176"	221.103051	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Hac-H"	59.013851
"969903"	229.069351	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-H+NaCOOH"	66.980151
"119905"	197.058602	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+2Cl"	69.938804
"563838"	278.103202	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+2Cl"	69.938804
"1032638"	116.014002	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2Cl"	69.938804
"1253309"	241.008085	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Br"	78.918885
"1316487"	243.064072	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Cl+HCOOH"	80.974872
"1331068"	265.046029	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Cl+NaCOOH"	102.956829
"916658"	275.074786	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M-H+CF3COOH"	112.985586
"1291180"	311.051464	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Cl+CF3COOH"	148.962264
"1376997"	127.076524	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H-2H2O"	-35.012676
"1395586"	145.0865	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H-H2O"	-17.0027
"291992"	325.185676	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+H"	1.007276
"681134"	487.274876	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+H"	1.007276
"1361858"	163.096476	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H"	1.007276
"138028"	163.096476	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+2H"	2.014552
"568841"	244.141076	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+2H"	2.014552
"1043108"	82.051876	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2H"	2.014552
"209914"	109.066742666667	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+3H"	3.021828
"652755"	163.096476	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+3H"	3.021828
"1167600"	55.0370093333333	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+3H"	3.021828
"434151"	342.212223	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+NH4"	18.033823
"790771"	504.301423	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+NH4"	18.033823
"1682366"	180.123023	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+NH4"	18.033823
"335385"	171.6097495	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+H+NH4"	19.041099
"727807"	252.6543495	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+H+NH4"	19.041099
"1483814"	90.5651495	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H+NH4"	19.041099
"395932"	347.167618	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+Na"	22.989218
"758023"	509.256818	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+Na"	22.989218
"1603810"	185.078418	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Na"	22.989218
"315786"	174.087447	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+H+Na"	23.996494
"710401"	255.132047	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+H+Na"	23.996494
"1464221"	93.042847	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H+Na"	23.996494
"1052966"	62.3643233333333	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2H+Na"	25.00377
"1257439"	195.122686	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+CH3OH+H"	33.033486
"378685"	363.141558	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+K"	38.963158
"740170"	525.230758	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+K"	38.963158
"1541856"	201.052358	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+K"	38.963158
"301592"	182.074417	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+H+K"	39.970434
"695108"	263.119017	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+H+K"	39.970434
"1446379"	101.029817	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H+K"	39.970434
"236436"	366.212226	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+ACN+H"	42.033826
"1218994"	204.123026	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+ACN+H"	42.033826
"1198870"	102.565151	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+ACN+2H"	43.041102
"192833"	369.14956	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+2Na-H"	44.97116
"637503"	531.23876	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+2Na-H"	44.97116
"1138822"	207.06036	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2Na-H"	44.97116
"181020"	185.078418	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+2Na"	45.978436
"626660"	266.123018	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+2Na"	45.978436
"1127367"	104.033818	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2Na"	45.978436
"1408704"	69.6916373333333	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H+2Na"	46.985712
"1435351"	209.101946	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H+HCOOH"	47.012746
"228327"	190.11144	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+3H2O+2H"	56.04448
"1511285"	223.15399	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+IsoProp+H"	61.06479
"412792"	193.065388	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+Na+K"	61.952376
"777437"	274.109988	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+Na+K"	61.952376
"1667936"	112.020788	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Na+K"	61.952376
"253361"	388.194168	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+ACN+Na"	64.015768
"1226796"	226.104968	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+ACN+Na"	64.015768
"1712806"	226.128493	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+NH4+HCOOH"	64.039293
"1183962"	77.0189513333333	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+3Na"	68.967654
"1653493"	231.083888	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Na+HCOOH"	68.994688
"159261"	401.09744	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+2K-H"	76.91904
"603197"	563.18664	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+2K-H"	76.91904
"1089896"	239.00824	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2K-H"	76.91904
"148900"	201.052358	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"2M+2K"	77.926316
"588462"	282.096958	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"3M+2K"	77.926316
"1075164"	120.007758	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2K"	77.926316
"1102904"	241.022792	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2K+H"	78.933592
"1341476"	241.110407	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+DMSO+H"	79.021207
"1013285"	245.149576	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2ACN+H"	83.060376
"1528130"	246.143208	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+IsoProp+Na+H"	84.054008
"994579"	123.078426	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+2ACN+2H"	84.067652
"1592364"	247.057828	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+K+HCOOH"	84.968628
"1419117"	277.089338	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+H+CF3COOH"	115.000138
"1149407"	143.591701	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+3ACN+2H"	125.094202
"1701147"	294.115885	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+NH4+CF3COOH"	132.026685
"1634974"	299.07128	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+Na+CF3COOH"	136.98208
"1573545"	315.04522	"C08237"	"Oleandrose;beta-L-Oleandropyranose"	"C7H14O4"	"162.0892"	"M+K+CF3COOH"	152.95602
"809377"	990.3275	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M"	0
"981821"	971.30911	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-H2O-H"	-19.01839
"76625"	659.211057333333	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M-3H"	-3.021828
"517768"	989.320224	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M-3H"	-3.021828
"894721"	329.101890666667	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-3H"	-3.021828
"8190"	989.320224	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M-2H"	-2.014552
"455046"	1484.483974	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M-2H"	-2.014552
"832740"	494.156474	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-2H"	-2.014552
"94174"	1979.647724	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M-H"	-1.007276
"533737"	2969.975224	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M-H"	-1.007276
"909715"	989.320224	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-H"	-1.007276
"60321"	1996.674271	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M-2H+NH4"	16.019271
"499026"	2987.001771	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M-2H+NH4"	16.019271
"875735"	1006.346771	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-2H+NH4"	16.019271
"44732"	2001.629666	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M-2H+Na"	20.974666
"485872"	2991.957166	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M-2H+Na"	20.974666
"861001"	1011.302166	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-2H+Na"	20.974666
"1630535"	1011.302166	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Na-2H"	20.974666
"102690"	1007.308563	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M-H+Cl"	33.962126
"544437"	1502.472313	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M-H+Cl"	33.962126
"932487"	512.144813	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-H+Cl"	33.962126
"276511"	2015.624402	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+Cl"	34.969402
"664557"	3005.951902	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+Cl"	34.969402
"1276232"	1025.296902	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Cl"	34.969402
"22801"	2017.603606	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M-2H+K"	36.948606
"464550"	3007.931106	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M-2H+K"	36.948606
"835062"	1027.276106	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-2H+K"	36.948606
"1557094"	1027.276106	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+K-2H"	36.948606
"951543"	1035.325694	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-H+HCOOH"	44.998194
"374132"	2025.653201	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+HCOOH-H"	44.998201
"352549"	2039.668851	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+Hac-H"	59.013851
"1503567"	1049.341351	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Hac-H"	59.013851
"966732"	1057.307651	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-H+NaCOOH"	66.980151
"124876"	1025.296902	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+2Cl"	69.938804
"564924"	1520.460652	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+2Cl"	69.938804
"1034936"	530.133152	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2Cl"	69.938804
"1253421"	1069.246385	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Br"	78.918885
"1316961"	1071.302372	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Cl+HCOOH"	80.974872
"1331178"	1093.284329	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Cl+NaCOOH"	102.956829
"920048"	1103.313086	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M-H+CF3COOH"	112.985586
"1294570"	1139.289764	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Cl+CF3COOH"	148.962264
"1377107"	955.314824	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H-2H2O"	-35.012676
"1392416"	973.3248	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H-H2O"	-17.0027
"292102"	1981.662276	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+H"	1.007276
"680151"	2971.989776	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+H"	1.007276
"1358688"	991.334776	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H"	1.007276
"139231"	991.334776	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+2H"	2.014552
"574418"	1486.498526	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+2H"	2.014552
"1041031"	496.171026	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2H"	2.014552
"210024"	661.225609333333	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+3H"	3.021828
"653959"	991.334776	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+3H"	3.021828
"1167710"	331.116442666667	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+3H"	3.021828
"433168"	1998.688823	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+NH4"	18.033823
"793068"	2989.016323	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+NH4"	18.033823
"1685755"	1008.361323	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+NH4"	18.033823
"335495"	999.8480495	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+H+NH4"	19.041099
"727917"	1495.0117995	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+H+NH4"	19.041099
"1482830"	504.6842995	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H+NH4"	19.041099
"397136"	2003.644218	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+Na"	22.989218
"758133"	2993.971718	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+Na"	22.989218
"1604769"	1013.316718	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Na"	22.989218
"316992"	1002.325747	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+H+Na"	23.996494
"709055"	1497.489497	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+H+Na"	23.996494
"1463357"	507.161997	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H+Na"	23.996494
"1056119"	338.443756666667	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2H+Na"	25.00377
"1257553"	1023.360986	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+CH3OH+H"	33.033486
"380011"	2019.618158	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+K"	38.963158
"742100"	3009.945658	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+K"	38.963158
"1541604"	1029.290658	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+K"	38.963158
"300609"	1010.312717	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+H+K"	39.970434
"695218"	1505.476467	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+H+K"	39.970434
"1449040"	515.148967	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H+K"	39.970434
"237641"	2022.688826	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+ACN+H"	42.033826
"1215824"	1032.361326	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+ACN+H"	42.033826
"1199709"	516.684301	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+ACN+2H"	43.041102
"193672"	2025.62616	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+2Na-H"	44.97116
"634329"	3015.95366	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+2Na-H"	44.97116
"1136742"	1035.29866	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2Na-H"	44.97116
"178940"	1013.316718	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+2Na"	45.978436
"619959"	1508.480468	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+2Na"	45.978436
"1125288"	518.152968	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2Na"	45.978436
"1408812"	345.771070666667	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H+2Na"	46.985712
"1432177"	1037.340246	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H+HCOOH"	47.012746
"222968"	1018.34974	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+3H2O+2H"	56.04448
"1510665"	1051.39229	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+IsoProp+H"	61.06479
"410472"	1021.303688	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+Na+K"	61.952376
"777182"	1516.467438	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+Na+K"	61.952376
"1669869"	526.139938	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Na+K"	61.952376
"252742"	2044.670768	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+ACN+Na"	64.015768
"1226660"	1054.343268	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+ACN+Na"	64.015768
"1713483"	1054.366793	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+NH4+HCOOH"	64.039293
"1178751"	353.098384666667	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+3Na"	68.967654
"1659073"	1059.322188	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Na+HCOOH"	68.994688
"159371"	2057.57404	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+2K-H"	76.91904
"608776"	3047.90154	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+2K-H"	76.91904
"1095474"	1067.24654	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2K-H"	76.91904
"143541"	1029.290658	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"2M+2K"	77.926316
"584196"	1524.454408	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"3M+2K"	77.926316
"1073084"	534.126908	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2K"	77.926316
"1103014"	1069.261092	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2K+H"	78.933592
"1340492"	1069.348707	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+DMSO+H"	79.021207
"1009020"	1073.387876	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2ACN+H"	83.060376
"1525689"	1074.381508	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+IsoProp+Na+H"	84.054008
"994689"	537.197576	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+2ACN+2H"	84.067652
"1600128"	1075.296128	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+K+HCOOH"	84.968628
"1418134"	1105.327638	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+H+CF3COOH"	115.000138
"1159358"	557.710851	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+3ACN+2H"	125.094202
"1701257"	1122.354185	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+NH4+CF3COOH"	132.026685
"1636906"	1127.30958	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+Na+CF3COOH"	136.98208
"1573655"	1143.28352	"C08238"	"alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;Ajugose"	"C36H62O31"	"990.3275"	"M+K+CF3COOH"	152.95602
"801950"	504.169	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M"	0
"975733"	485.15061	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"71266"	335.105390666667	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"514109"	503.161724	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"895524"	167.049057333333	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"8299"	503.161724	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"455566"	755.246224	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"828944"	251.077224	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"91124"	1007.330724	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"528497"	1511.499724	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"910066"	503.161724	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"60430"	1024.357271	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"500112"	1528.526271	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"876940"	520.188271	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"39371"	1029.312666	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"476745"	1533.481666	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"857828"	525.143666	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1624446"	525.143666	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"98788"	521.150063	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"539078"	773.234563	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"928704"	269.065563	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"271518"	1043.307402	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"663573"	1547.476402	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1275977"	539.138402	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"24004"	1045.286606	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"470127"	1549.455606	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"836995"	541.117606	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1557325"	541.117606	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"953840"	549.167194	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"370962"	1053.336201	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"355939"	1067.351851	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1500397"	563.182851	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"967936"	571.149151	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"116844"	539.138402	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"561871"	791.222902	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1027391"	287.053902	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1250250"	583.087885	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1311604"	585.143872	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1328007"	607.125829	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"912502"	617.154586	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1289940"	653.131264	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1371749"	469.156324	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1393619"	487.1663	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"288932"	1009.345276	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"682447"	1513.514276	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1362078"	505.176276	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H"	1.007276
"134967"	505.176276	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"577808"	757.260776	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1046609"	253.091776	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"216696"	337.119942666667	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"654069"	505.176276	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1170007"	169.063609333333	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"435465"	1026.371823	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"794272"	1530.540823	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1685138"	522.202823	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"333780"	513.6895495	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"725838"	765.7740495	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1480752"	261.6050495	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"397244"	1031.327218	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"758243"	1535.496218	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1605246"	527.158218	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"317102"	516.167247	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"709528"	768.251747	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1464075"	264.082747	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1055135"	176.390923333333	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1258998"	537.202486	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"380124"	1047.301158	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"741118"	1551.470158	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1543171"	543.132158	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K"	38.963158
"299990"	524.154217	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"693141"	776.238717	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1448057"	272.069717	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"237385"	1050.371826	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1213018"	546.202826	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1199819"	273.605051	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"192689"	1053.30916	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"629451"	1557.47816	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1133564"	549.14016	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"175034"	527.158218	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"620433"	779.242718	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1125398"	275.073718	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1408922"	183.718237333333	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1436297"	551.181746	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"223075"	532.19124	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1510410"	565.23379	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"410826"	535.145188	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"777657"	787.229688	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1669248"	283.060688	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"252488"	1072.353768	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1226650"	568.184768	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1714078"	568.208293	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1179918"	191.045551333333	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1659183"	573.163688	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"159481"	1085.25704	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"608886"	1589.42604	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1093398"	581.08804	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"142921"	543.132158	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"585400"	795.216658	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1073194"	291.047658	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1104216"	583.102592	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1339508"	583.190207	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1011318"	587.229376	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1529443"	588.223008	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"993705"	294.118326	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1600238"	589.137628	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1418244"	619.169138	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1156188"	314.631601	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1707928"	636.195685	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1635924"	641.15108	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1574858"	657.12502	"C08239"	"Gentianose;beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"801385"	342.1162	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M"	0
"974208"	323.09781	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"71378"	227.070190666667	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"510938"	341.108924	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"892023"	113.031457333333	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"9502"	341.108924	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"450155"	512.167024	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"829054"	170.050824	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"89045"	683.225124	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"529699"	1025.341324	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"903126"	341.108924	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"56406"	700.251671	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"493779"	1042.367871	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"872674"	358.135471	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"36201"	705.207066	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"476856"	1047.323266	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"857939"	363.090866	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1620182"	363.090866	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"97804"	359.097263	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"536637"	530.155363	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"929427"	188.039163	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"269075"	719.201802	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"662227"	1061.318002	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1286911"	377.085602	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"28491"	721.181006	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"463679"	1063.297206	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"840388"	379.064806	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1568252"	379.064806	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"953586"	387.114394	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"371071"	729.230601	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"353861"	743.246251	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1500140"	401.130051	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"963670"	409.096351	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"120231"	377.085602	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"557607"	548.143702	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1027501"	206.027502	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1250359"	421.035085	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1306247"	423.091072	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1320012"	445.073029	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"911515"	455.101786	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1290416"	491.078464	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1367962"	307.103524	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383075"	325.1135	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"283036"	685.239676	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"677455"	1027.355876	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1357813"	343.123476	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"139089"	343.123476	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"576824"	514.181576	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1045623"	172.065376	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"206963"	229.084742666667	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"647251"	343.123476	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1166833"	115.046009333333	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"430108"	702.266223	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"792201"	1044.382423	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1685248"	360.150023	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"331341"	351.6367495	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"725220"	522.6948495	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1478311"	180.5786495	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"394193"	707.221618	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"754499"	1049.337818	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1603898"	365.105418	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"315147"	354.114447	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"708175"	525.172547	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1462120"	183.056347	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1053097"	122.373323333333	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1257051"	375.149686	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"377439"	723.195558	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"738797"	1065.311758	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1540114"	381.079358	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"299132"	362.101417	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"697633"	533.159517	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1446102"	191.043317	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"243337"	726.266226	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1212765"	384.150026	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1201022"	192.578651	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"188910"	729.20356	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"633454"	1071.31976	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1135869"	387.08736	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"175877"	365.105418	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"617991"	536.163518	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1125508"	194.047318	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1405752"	129.700637333333	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1435681"	389.128946	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"225377"	370.13844	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1509792"	403.18099	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"416408"	373.092388	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"774123"	544.150488	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1667536"	202.034288	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"254786"	748.248168	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1226398"	406.131968	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1713459"	406.155493	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1185022"	137.027951333333	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1657106"	411.110888	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"163966"	761.15144	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"608996"	1103.26764	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1089133"	419.03524	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"147044"	381.079358	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"590980"	552.137458	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1073304"	210.021258	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1105422"	421.049792	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1340710"	421.137407	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1010336"	425.176576	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1529553"	426.170208	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"996003"	213.091926	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1593788"	427.084828	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1417624"	457.116338	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1148644"	233.605201	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1702571"	474.142885	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1636036"	479.09828	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1574968"	495.07222	"C08240"	"Gentiobiose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"809707"	344.0719	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M"	0
"987986"	325.05351	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-H2O-H"	-19.01839
"75503"	228.373990666667	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M-3H"	-3.021828
"514331"	343.064624	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M-3H"	-3.021828
"891041"	113.683357333333	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-3H"	-3.021828
"9615"	343.064624	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M-2H"	-2.014552
"451359"	515.100574	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M-2H"	-2.014552
"828069"	171.028674	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-2H"	-2.014552
"92802"	687.136524	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M-H"	-1.007276
"529811"	1031.208424	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M-H"	-1.007276
"904332"	343.064624	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-H"	-1.007276
"58706"	704.163071	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M-2H+NH4"	16.019271
"498264"	1048.234971	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M-2H+NH4"	16.019271
"872784"	360.091171	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-2H+NH4"	16.019271
"39590"	709.118466	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M-2H+Na"	20.974666
"479152"	1053.190366	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M-2H+Na"	20.974666
"854767"	365.046566	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-2H+Na"	20.974666
"1622479"	365.046566	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Na-2H"	20.974666
"98645"	361.052963	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M-H+Cl"	33.962126
"537108"	533.088913	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M-H+Cl"	33.962126
"929537"	189.017013	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-H+Cl"	33.962126
"271375"	723.113202	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+Cl"	34.969402
"665984"	1067.185102	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+Cl"	34.969402
"1284950"	379.041302	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Cl"	34.969402
"26414"	725.092406	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M-2H+K"	36.948606
"462695"	1069.164306	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M-2H+K"	36.948606
"840498"	381.020506	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-2H+K"	36.948606
"1568362"	381.020506	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+K-2H"	36.948606
"954060"	389.070094	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-H+HCOOH"	44.998194
"368994"	733.142001	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+HCOOH-H"	44.998201
"351785"	747.157651	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+Hac-H"	59.013851
"1499522"	403.085751	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Hac-H"	59.013851
"963780"	411.052051	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-H+NaCOOH"	66.980151
"117063"	379.041302	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+2Cl"	69.938804
"555532"	551.077252	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+2Cl"	69.938804
"1024332"	207.005352	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2Cl"	69.938804
"1252657"	422.990785	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Br"	78.918885
"1309639"	425.046772	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Cl+HCOOH"	80.974872
"1324946"	447.028729	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Cl+NaCOOH"	102.956829
"911994"	457.057486	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M-H+CF3COOH"	112.985586
"1291619"	493.034164	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Cl+CF3COOH"	148.962264
"1368073"	309.059224	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H-2H2O"	-35.012676
"1383626"	327.0692	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H-H2O"	-17.0027
"283111"	689.151076	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+H"	1.007276
"676472"	1033.222976	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+H"	1.007276
"1352456"	345.079176	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H"	1.007276
"139444"	345.079176	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+2H"	2.014552
"573657"	517.115126	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+2H"	2.014552
"1043549"	173.043226	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2H"	2.014552
"214730"	230.388542666667	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+3H"	3.021828
"651010"	345.079176	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+3H"	3.021828
"1170227"	115.697909333333	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+3H"	3.021828
"432406"	706.177623	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+NH4"	18.033823
"793405"	1050.249523	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+NH4"	18.033823
"1685723"	362.105723	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+NH4"	18.033823
"333639"	353.5924495	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+H+NH4"	19.041099
"727154"	525.6283995	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+H+NH4"	19.041099
"1479154"	181.5564995	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H+NH4"	19.041099
"393826"	711.133018	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+Na"	22.989218
"754815"	1055.204918	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+Na"	22.989218
"1604127"	367.061118	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Na"	22.989218
"314893"	356.070147	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+H+Na"	23.996494
"708658"	528.106097	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+H+Na"	23.996494
"1464302"	184.034197	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H+Na"	23.996494
"1054993"	123.025223333333	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2H+Na"	25.00377
"1257520"	377.105386	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+CH3OH+H"	33.033486
"378396"	727.106958	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+K"	38.963158
"739757"	1071.178858	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+K"	38.963158
"1540236"	383.035058	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+K"	38.963158
"299113"	364.057117	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+H+K"	39.970434
"698107"	536.093067	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+H+K"	39.970434
"1445884"	192.021167	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H+K"	39.970434
"236067"	730.177626	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+ACN+H"	42.033826
"1213239"	386.105726	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+ACN+H"	42.033826
"1196757"	193.556501	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+ACN+2H"	43.041102
"191085"	733.11496	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+2Na-H"	44.97116
"630281"	1077.18686	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+2Na-H"	44.97116
"1137072"	389.04306	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2Na-H"	44.97116
"175987"	367.061118	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+2Na"	45.978436
"615185"	539.097068	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+2Na"	45.978436
"1126711"	195.025168	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2Na"	45.978436
"1403308"	130.352537333333	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H+2Na"	46.985712
"1432870"	391.084646	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H+HCOOH"	47.012746
"222567"	372.09414	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+3H2O+2H"	56.04448
"1512088"	405.13669	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+IsoProp+H"	61.06479
"415425"	375.048088	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+Na+K"	61.952376
"770951"	547.084038	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+Na+K"	61.952376
"1665859"	203.012138	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Na+K"	61.952376
"251980"	752.159568	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+ACN+Na"	64.015768
"1225936"	408.087668	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+ACN+Na"	64.015768
"1713041"	408.111193	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+NH4+HCOOH"	64.039293
"1181485"	137.679851333333	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+3Na"	68.967654
"1656121"	413.066588	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Na+HCOOH"	68.994688
"162986"	765.06284	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+2K-H"	76.91904
"608013"	1109.13474	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+2K-H"	76.91904
"1098481"	420.99094	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2K-H"	76.91904
"152623"	383.035058	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"2M+2K"	77.926316
"593276"	555.071008	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"3M+2K"	77.926316
"1074508"	210.999108	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2K"	77.926316
"1104439"	423.005492	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2K+H"	78.933592
"1345195"	423.093107	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+DMSO+H"	79.021207
"1012633"	427.132276	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2ACN+H"	83.060376
"1530758"	428.125908	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+IsoProp+Na+H"	84.054008
"998301"	214.069776	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+2ACN+2H"	84.067652
"1597178"	429.040528	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+K+HCOOH"	84.968628
"1427213"	459.072038	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+H+CF3COOH"	115.000138
"1150942"	234.583051	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+3ACN+2H"	125.094202
"1699401"	476.098585	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+NH4+CF3COOH"	132.026685
"1636510"	481.05398	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+Na+CF3COOH"	136.98208
"1575078"	497.02792	"C08241"	"Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate;Lepidimoide"	"C12H17O10Na"	"344.0719"	"M+K+CF3COOH"	152.95602
"802282"	666.2219	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M"	0
"984449"	647.20351	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"73788"	443.140657333333	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"512253"	665.214624	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"890058"	221.066690666667	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"11912"	665.214624	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"451469"	998.325574	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"828179"	332.103674	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"89266"	1331.436524	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"524452"	1997.658424	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"902254"	665.214624	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"50796"	1348.463071	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"491083"	2014.684971	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"876056"	682.241171	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"33135"	1353.418466	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"473546"	2019.640366	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"854876"	687.196566	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1625503"	687.196566	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"97656"	683.202963	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"537217"	1016.313913	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"929646"	350.092013	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"270392"	1367.413202	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"666094"	2033.635102	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1285060"	701.191302	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"26524"	1369.392406	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"466085"	2035.614306	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"838418"	703.170506	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1555678"	703.170506	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"956358"	711.220094	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"370196"	1377.442001	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"351892"	1391.457651	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1498539"	725.235751	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"963890"	733.202051	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"117172"	701.191302	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"555642"	1034.302252	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1024442"	368.080352	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1251674"	745.140785	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1309749"	747.196772	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1325056"	769.178729	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"912104"	779.207486	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1291364"	815.184164	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1368792"	631.209224	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1384345"	649.2192	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"283549"	1333.451076	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"676581"	1999.672976	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1351836"	667.229176	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"134207"	667.229176	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"571580"	1000.340126	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1042565"	334.118226	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"212652"	445.155209333333	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"655493"	667.229176	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1170337"	223.081242666667	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"428505"	1350.477623	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"791325"	2016.699523	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1685832"	684.255723	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"333749"	675.7424495	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"726535"	1008.8533995	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1482178"	342.6314995	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"394299"	1355.433018	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"754928"	2021.654918	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1603268"	689.211118	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"317799"	678.220147	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"708401"	1011.331097	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1464412"	345.109197	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1058384"	230.408556666667	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1258968"	699.255386	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"377939"	1371.406958	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"738899"	2037.628858	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1540348"	705.185058	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"298721"	686.207117	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"698217"	1019.318067	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1447297"	353.096167	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"239180"	1374.477626	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1212985"	708.255726	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1196867"	354.631501	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"191558"	1377.41496	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"631119"	2043.63686	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1137182"	711.19306	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"176461"	689.211118	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"616752"	1022.322068	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1118433"	356.100168	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1402323"	237.735870666667	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1435168"	713.234646	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"224136"	694.24414	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1512561"	727.28669	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"418450"	697.198088	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"771059"	1030.309038	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1666660"	364.087138	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"252451"	1396.459568	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1226373"	730.237668	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1713564"	730.261193	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1179447"	245.063184666667	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1651127"	735.216588	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"165280"	1409.36284	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"607029"	2075.58474	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1095916"	743.14094	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"152733"	705.185058	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"593386"	1038.296008	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1073525"	372.074108	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1103455"	745.155492	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1340932"	745.243107	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1013836"	749.282276	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1528681"	750.275908	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"996224"	375.144776	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1594008"	751.190528	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1420762"	781.222038	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1152145"	395.658051	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1698418"	798.248585	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1636620"	803.20398	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1573366"	819.17792	"C08242"	"Lychnose;1F-alpha-D-Galactosylraffinose"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"804459"	504.169	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M"	0
"989650"	485.15061	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"73900"	335.105390666667	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"514549"	503.161724	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"886887"	167.049057333333	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"12752"	503.161724	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"455470"	755.246224	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"832178"	251.077224	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"89377"	1007.330724	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"530029"	1511.499724	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"904550"	503.161724	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"60990"	1024.357271	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"494473"	1528.526271	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"874099"	520.188271	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"35799"	1029.312666	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"476089"	1533.481666	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"854986"	525.143666	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1625613"	525.143666	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"97401"	521.150063	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"542796"	773.234563	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"929383"	269.065563	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"273782"	1043.307402	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"667297"	1547.476402	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1286267"	539.138402	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"27727"	1045.286606	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"462914"	1549.455606	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"835248"	541.117606	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1556548"	541.117606	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"957482"	549.167194	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"363747"	1053.336201	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"349818"	1067.351851	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1501931"	563.182851	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"964004"	571.149151	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"116192"	539.138402	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"562314"	791.222902	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1031113"	287.053902	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1255064"	583.087885	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1309859"	585.143872	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1324073"	607.125829	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"912943"	617.154586	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1292203"	653.131264	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1371093"	469.156324	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1384581"	487.1663	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"284752"	1009.345276	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"676083"	1513.514276	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1354862"	505.176276	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H"	1.007276
"136504"	505.176276	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"573877"	757.260776	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1041946"	253.091776	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"216041"	337.119942666667	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"657061"	505.176276	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1174457"	169.063609333333	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"431533"	1026.371823	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"789613"	1530.540823	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1687036"	522.202823	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"334954"	513.6895495	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"726281"	765.7740495	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1483381"	261.6050495	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"396595"	1031.327218	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"756500"	1535.496218	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1603867"	527.158218	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"316818"	516.167247	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"708269"	768.251747	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1464156"	264.082747	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1056306"	176.390923333333	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1259078"	537.202486	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"377649"	1047.301158	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"739128"	1551.470158	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1540214"	543.132158	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+K"	38.963158
"299003"	524.154217	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"697963"	776.238717	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1448500"	272.069717	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"238196"	1050.371826	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1215282"	546.202826	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1197706"	273.605051	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"190939"	1053.30916	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"631229"	1557.47816	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1135833"	549.14016	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"175840"	527.158218	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"617590"	779.242718	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1120731"	275.073718	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1407171"	183.718237333333	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1434913"	551.181746	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"223515"	532.19124	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1514861"	565.23379	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"420017"	535.145188	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"773357"	787.229688	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1668956"	283.060688	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"254018"	1072.353768	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1227456"	568.184768	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1715252"	568.208293	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1180978"	191.045551333333	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1654155"	573.163688	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"165390"	1085.25704	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"607139"	1589.42604	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1096026"	581.08804	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"156494"	543.132158	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"594349"	795.216658	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1082143"	291.047658	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1106845"	583.102592	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1342137"	583.190207	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1015040"	587.229376	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1529884"	588.223008	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"1002896"	294.118326	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1599587"	589.137628	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1425246"	619.169138	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1153348"	314.631601	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1701808"	636.195685	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1636730"	641.15108	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1573476"	657.12502	"C08243"	"Melezitose"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"801774"	326.1213	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M"	0
"988680"	307.10291	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-H2O-H"	-19.01839
"78019"	216.406924	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M-3H"	-3.021828
"516848"	325.114024	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M-3H"	-3.021828
"894652"	107.699824	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-3H"	-3.021828
"12134"	325.114024	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M-2H"	-2.014552
"453878"	488.174674	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M-2H"	-2.014552
"830586"	162.053374	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-2H"	-2.014552
"94217"	651.235324	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M-H"	-1.007276
"529044"	977.356624	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M-H"	-1.007276
"905752"	325.114024	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-H"	-1.007276
"55753"	668.261871	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M-2H+NH4"	16.019271
"492396"	994.383171	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M-2H+NH4"	16.019271
"874208"	342.140571	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-2H+NH4"	16.019271
"36642"	673.217266	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M-2H+Na"	20.974666
"474377"	999.338566	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M-2H+Na"	20.974666
"855096"	347.095966	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-2H+Na"	20.974666
"1625724"	347.095966	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Na-2H"	20.974666
"98973"	343.102363	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M-H+Cl"	33.962126
"538533"	506.163013	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M-H+Cl"	33.962126
"929131"	180.041713	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-H+Cl"	33.962126
"280453"	687.212002	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+Cl"	34.969402
"674942"	1013.333302	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+Cl"	34.969402
"1287916"	361.090702	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Cl"	34.969402
"27837"	689.191206	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M-2H+K"	36.948606
"460840"	1015.312506	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M-2H+K"	36.948606
"839736"	363.069906	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-2H+K"	36.948606
"1557754"	363.069906	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+K-2H"	36.948606
"958159"	371.119494	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-H+HCOOH"	44.998194
"364950"	697.240801	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+HCOOH-H"	44.998201
"349927"	711.256451	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+Hac-H"	59.013851
"1498760"	385.135151	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Hac-H"	59.013851
"964114"	393.101451	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-H+NaCOOH"	66.980151
"117396"	361.090702	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+2Cl"	69.938804
"556956"	524.151352	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+2Cl"	69.938804
"1024662"	198.030052	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2Cl"	69.938804
"1245334"	405.040185	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Br"	78.918885
"1309969"	407.096172	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Cl+HCOOH"	80.974872
"1328558"	429.078129	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Cl+NaCOOH"	102.956829
"914512"	439.106886	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M-H+CF3COOH"	112.985586
"1291951"	475.083564	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Cl+CF3COOH"	148.962264
"1371205"	291.108624	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H-2H2O"	-35.012676
"1384327"	309.1186	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H-H2O"	-17.0027
"285834"	653.249876	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+H"	1.007276
"676438"	979.371176	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+H"	1.007276
"1354972"	327.128576	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H"	1.007276
"136252"	327.128576	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+2H"	2.014552
"570709"	490.189226	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+2H"	2.014552
"1042787"	164.067926	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2H"	2.014552
"213967"	218.421476	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+3H"	3.021828
"648062"	327.128576	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+3H"	3.021828
"1173840"	109.714376	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+3H"	3.021828
"429459"	670.276423	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+NH4"	18.033823
"790457"	996.397723	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+NH4"	18.033823
"1685693"	344.155123	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+NH4"	18.033823
"338346"	335.6418495	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+H+NH4"	19.041099
"727489"	498.7024995	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+H+NH4"	19.041099
"1480215"	172.5811995	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H+NH4"	19.041099
"396708"	675.231818	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+Na"	22.989218
"755515"	1001.353118	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+Na"	22.989218
"1602922"	349.110518	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Na"	22.989218
"314279"	338.119547	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+H+Na"	23.996494
"707120"	501.180197	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+H+Na"	23.996494
"1461591"	175.058897	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H+Na"	23.996494
"1054473"	117.04169	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2H+Na"	25.00377
"1260282"	359.154786	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+CH3OH+H"	33.033486
"379950"	691.205758	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+K"	38.963158
"739243"	1017.327058	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+K"	38.963158
"1539966"	365.084458	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+K"	38.963158
"298556"	346.106517	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+H+K"	39.970434
"704636"	509.167167	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+H+K"	39.970434
"1452988"	183.045867	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H+K"	39.970434
"238309"	694.276426	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+ACN+H"	42.033826
"1218673"	368.155126	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+ACN+H"	42.033826
"1199277"	184.581201	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+ACN+2H"	43.041102
"194334"	697.21376	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+2Na-H"	44.97116
"633894"	1023.33506	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+2Na-H"	44.97116
"1136308"	371.09246	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2Na-H"	44.97116
"175707"	349.110518	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+2Na"	45.978436
"615514"	512.171168	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+2Na"	45.978436
"1123760"	186.049868	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2Na"	45.978436
"1404003"	124.369004	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H+2Na"	46.985712
"1433201"	373.134046	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H+HCOOH"	47.012746
"223990"	354.14354	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+3H2O+2H"	56.04448
"1513512"	387.18609	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+IsoProp+H"	61.06479
"421220"	357.097488	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+Na+K"	61.952376
"773836"	520.158138	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+Na+K"	61.952376
"1669067"	194.036838	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Na+K"	61.952376
"253401"	716.258368	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+ACN+Na"	64.015768
"1227569"	390.137068	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+ACN+Na"	64.015768
"1715730"	390.160593	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+NH4+HCOOH"	64.039293
"1186556"	131.696318	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+3Na"	68.967654
"1657546"	395.115988	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Na+HCOOH"	68.994688
"164409"	729.16164	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+2K-H"	76.91904
"611748"	1055.28294	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+2K-H"	76.91904
"1097960"	403.04034	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2K-H"	76.91904
"150765"	365.084458	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"2M+2K"	77.926316
"596814"	528.145108	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"3M+2K"	77.926316
"1083834"	202.023808	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2K"	77.926316
"1111330"	405.054892	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2K+H"	78.933592
"1343341"	405.142507	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+DMSO+H"	79.021207
"1015152"	409.181676	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2ACN+H"	83.060376
"1529996"	410.175308	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+IsoProp+Na+H"	84.054008
"1004100"	205.094476	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+2ACN+2H"	84.067652
"1596417"	411.089928	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+K+HCOOH"	84.968628
"1424264"	441.121438	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+H+CF3COOH"	115.000138
"1158927"	225.607751	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+3ACN+2H"	125.094202
"1701918"	458.147985	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+NH4+CF3COOH"	132.026685
"1641944"	463.10338	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+Na+CF3COOH"	136.98208
"1583063"	479.07732	"C08244"	"2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;Neohesperidose"	"C12H22O10"	"326.1213"	"M+K+CF3COOH"	152.95602
"801763"	312.1056	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M"	0
"983685"	293.08721	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-H2O-H"	-19.01839
"75208"	207.063124	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M-3H"	-3.021828
"516957"	311.098324	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M-3H"	-3.021828
"892940"	103.027924	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-3H"	-3.021828
"10055"	311.098324	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M-2H"	-2.014552
"451801"	467.151124	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M-2H"	-2.014552
"825231"	155.045524	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-2H"	-2.014552
"89596"	623.203924	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M-H"	-1.007276
"529155"	935.309524	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M-H"	-1.007276
"899302"	311.098324	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-H"	-1.007276
"54769"	640.230471	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M-2H+NH4"	16.019271
"492142"	952.336071	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M-2H+NH4"	16.019271
"868848"	328.124871	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-2H+NH4"	16.019271
"38938"	645.185866	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M-2H+Na"	20.974666
"476311"	957.291466	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M-2H+Na"	20.974666
"851924"	333.080266	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-2H+Na"	20.974666
"1622917"	333.080266	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Na-2H"	20.974666
"99083"	329.086663	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M-H+Cl"	33.962126
"539736"	485.139463	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M-H+Cl"	33.962126
"928512"	173.033863	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-H+Cl"	33.962126
"268533"	659.180602	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+Cl"	34.969402
"667515"	971.286202	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+Cl"	34.969402
"1285388"	347.075002	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Cl"	34.969402
"21387"	661.159806	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M-2H+K"	36.948606
"460947"	973.265406	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M-2H+K"	36.948606
"836561"	349.054206	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-2H+K"	36.948606
"1557863"	349.054206	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+K-2H"	36.948606
"952313"	357.103794	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-H+HCOOH"	44.998194
"365060"	669.209401	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+HCOOH-H"	44.998201
"347484"	683.225051	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+Hac-H"	59.013851
"1494251"	371.119451	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Hac-H"	59.013851
"962037"	379.085751	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-H+NaCOOH"	66.980151
"114226"	347.075002	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+2Cl"	69.938804
"554879"	503.127802	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+2Cl"	69.938804
"1021734"	191.022202	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2Cl"	69.938804
"1244351"	391.024485	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Br"	78.918885
"1310079"	393.080472	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Cl+HCOOH"	80.974872
"1326481"	415.062429	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Cl+NaCOOH"	102.956829
"914258"	425.091186	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M-H+CF3COOH"	112.985586
"1292061"	461.067864	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Cl+CF3COOH"	148.962264
"1369128"	277.092924	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H-2H2O"	-35.012676
"1384801"	295.1029	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H-H2O"	-17.0027
"283393"	625.218476	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+H"	1.007276
"677641"	937.324076	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+H"	1.007276
"1357269"	313.112876	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H"	1.007276
"135633"	313.112876	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+2H"	2.014552
"570819"	469.165676	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+2H"	2.014552
"1042898"	157.060076	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2H"	2.014552
"215901"	209.077676	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+3H"	3.021828
"648172"	313.112876	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+3H"	3.021828
"1173949"	105.042476	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+3H"	3.021828
"429569"	642.245023	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+NH4"	18.033823
"792754"	954.350623	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+NH4"	18.033823
"1685803"	330.139423	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+NH4"	18.033823
"335177"	321.6261495	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+H+NH4"	19.041099
"728693"	477.6789495	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+H+NH4"	19.041099
"1478502"	165.5733495	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H+NH4"	19.041099
"394632"	647.200418	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+Na"	22.989218
"755627"	959.306018	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+Na"	22.989218
"1602872"	335.094818	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Na"	22.989218
"314361"	324.103847	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+H+Na"	23.996494
"707311"	480.156647	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+H+Na"	23.996494
"1462304"	168.051047	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H+Na"	23.996494
"1054462"	112.36979	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2H+Na"	25.00377
"1259298"	345.139086	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+CH3OH+H"	33.033486
"378237"	663.174358	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+K"	38.963158
"739231"	975.279958	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+K"	38.963158
"1540018"	351.068758	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+K"	38.963158
"298733"	332.090817	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+H+K"	39.970434
"702560"	488.143617	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+H+K"	39.970434
"1452005"	176.038017	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H+K"	39.970434
"238419"	666.245026	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+ACN+H"	42.033826
"1215502"	354.139426	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+ACN+H"	42.033826
"1197198"	177.573351	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+ACN+2H"	43.041102
"190795"	669.18236	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+2Na-H"	44.97116
"635096"	981.28796	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+2Na-H"	44.97116
"1135325"	357.07676	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2Na-H"	44.97116
"175452"	335.094818	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+2Na"	45.978436
"615259"	491.147618	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+2Na"	45.978436
"1122777"	179.042018	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2Na"	45.978436
"1404477"	119.697104	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H+2Na"	46.985712
"1433675"	359.118346	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H+HCOOH"	47.012746
"222643"	340.12784	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+3H2O+2H"	56.04448
"1513622"	373.17039	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+IsoProp+H"	61.06479
"414401"	343.081788	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+Na+K"	61.952376
"777951"	499.134588	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+Na+K"	61.952376
"1672457"	187.028988	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Na+K"	61.952376
"252418"	688.226968	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+ACN+Na"	64.015768
"1227072"	376.121368	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+ACN+Na"	64.015768
"1715112"	376.144893	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+NH4+HCOOH"	64.039293
"1191041"	127.024418	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+3Na"	68.967654
"1659844"	381.100288	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Na+HCOOH"	68.994688
"165613"	701.13024	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+2K-H"	76.91904
"611979"	1013.23584	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+2K-H"	76.91904
"1099409"	389.02464	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2K-H"	76.91904
"151968"	351.068758	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"2M+2K"	77.926316
"596966"	507.121558	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"3M+2K"	77.926316
"1083458"	195.015958	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2K"	77.926316
"1107067"	391.039192	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2K+H"	78.933592
"1345638"	391.126807	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+DMSO+H"	79.021207
"1014169"	395.165976	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2ACN+H"	83.060376
"1533386"	396.159608	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+IsoProp+Na+H"	84.054008
"1004576"	198.086626	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+2ACN+2H"	84.067652
"1598715"	397.074228	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+K+HCOOH"	84.968628
"1423281"	427.105738	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+H+CF3COOH"	115.000138
"1159037"	218.599901	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+3ACN+2H"	125.094202
"1705308"	444.132285	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+NH4+CF3COOH"	132.026685
"1642054"	449.08768	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+Na+CF3COOH"	136.98208
"1583173"	465.06162	"C08245"	"6-O-beta-D-Xylopyranosyl-D-glucose;Primeverose"	"C11H20O10"	"312.1056"	"M+K+CF3COOH"	152.95602
"808069"	326.1213	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M"	0
"987075"	307.10291	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-H2O-H"	-19.01839
"75318"	216.406924	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M-3H"	-3.021828
"515975"	325.114024	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M-3H"	-3.021828
"893051"	107.699824	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-3H"	-3.021828
"12353"	325.114024	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M-2H"	-2.014552
"450819"	488.174674	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M-2H"	-2.014552
"826435"	162.053374	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-2H"	-2.014552
"91894"	651.235324	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M-H"	-1.007276
"530359"	977.356624	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M-H"	-1.007276
"903786"	325.114024	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-H"	-1.007276
"58159"	668.261871	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M-2H+NH4"	16.019271
"497719"	994.383171	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M-2H+NH4"	16.019271
"872240"	342.140571	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-2H+NH4"	16.019271
"40141"	673.217266	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M-2H+Na"	20.974666
"479703"	999.338566	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M-2H+Na"	20.974666
"854222"	347.095966	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-2H+Na"	20.974666
"1625943"	347.095966	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Na-2H"	20.974666
"99195"	343.102363	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M-H+Cl"	33.962126
"543126"	506.163013	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M-H+Cl"	33.962126
"933363"	180.041713	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-H+Cl"	33.962126
"276297"	687.212002	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+Cl"	34.969402
"667625"	1013.333302	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+Cl"	34.969402
"1283312"	361.090702	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Cl"	34.969402
"28787"	689.191206	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M-2H+K"	36.948606
"470170"	1015.312506	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M-2H+K"	36.948606
"844325"	363.069906	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-2H+K"	36.948606
"1566720"	363.069906	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+K-2H"	36.948606
"951329"	371.119494	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-H+HCOOH"	44.998194
"365170"	697.240801	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+HCOOH-H"	44.998201
"349416"	711.256451	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+Hac-H"	59.013851
"1495332"	385.135151	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Hac-H"	59.013851
"965427"	393.101451	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-H+NaCOOH"	66.980151
"114336"	361.090702	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+2Cl"	69.938804
"557176"	524.151352	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+2Cl"	69.938804
"1024882"	198.030052	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2Cl"	69.938804
"1246648"	405.040185	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Br"	78.918885
"1311282"	407.096172	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Cl+HCOOH"	80.974872
"1326591"	429.078129	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Cl+NaCOOH"	102.956829
"915461"	439.106886	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M-H+CF3COOH"	112.985586
"1293265"	475.083564	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Cl+CF3COOH"	148.962264
"1371425"	291.108624	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H-2H2O"	-35.012676
"1384911"	309.1186	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H-H2O"	-17.0027
"285326"	653.249876	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+H"	1.007276
"679938"	979.371176	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+H"	1.007276
"1354098"	327.128576	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H"	1.007276
"137205"	327.128576	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+2H"	2.014552
"578222"	490.189226	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+2H"	2.014552
"1046288"	164.067926	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2H"	2.014552
"217107"	218.421476	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+3H"	3.021828
"650468"	327.128576	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+3H"	3.021828
"1176246"	109.714376	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+3H"	3.021828
"432959"	670.276423	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+NH4"	18.033823
"792865"	996.397723	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+NH4"	18.033823
"1687007"	344.155123	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+NH4"	18.033823
"337475"	335.6418495	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+H+NH4"	19.041099
"730990"	498.7024995	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+H+NH4"	19.041099
"1479344"	172.5811995	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H+NH4"	19.041099
"396930"	675.231818	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+Na"	22.989218
"760112"	1001.353118	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+Na"	22.989218
"1604928"	349.110518	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Na"	22.989218
"316058"	338.119547	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+H+Na"	23.996494
"709571"	501.180197	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+H+Na"	23.996494
"1464485"	175.058897	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H+Na"	23.996494
"1054207"	117.04169	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2H+Na"	25.00377
"1261594"	359.154786	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+CH3OH+H"	33.033486
"382356"	691.205758	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+K"	38.963158
"740433"	1017.327058	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+K"	38.963158
"1539896"	365.084458	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+K"	38.963158
"298590"	346.106517	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+H+K"	39.970434
"701575"	509.167167	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+H+K"	39.970434
"1451021"	183.045867	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H+K"	39.970434
"239622"	694.276426	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+ACN+H"	42.033826
"1214519"	368.155126	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+ACN+H"	42.033826
"1198402"	184.581201	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+ACN+2H"	43.041102
"191270"	697.21376	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+2Na-H"	44.97116
"630105"	1023.33506	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+2Na-H"	44.97116
"1138716"	371.09246	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2Na-H"	44.97116
"175804"	349.110518	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+2Na"	45.978436
"620474"	512.171168	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+2Na"	45.978436
"1121794"	186.049868	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2Na"	45.978436
"1408599"	124.369004	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H+2Na"	46.985712
"1433420"	373.134046	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H+HCOOH"	47.012746
"225306"	354.14354	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+3H2O+2H"	56.04448
"1513367"	387.18609	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+IsoProp+H"	61.06479
"414147"	357.097488	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+Na+K"	61.952376
"775874"	520.158138	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+Na+K"	61.952376
"1671839"	194.036838	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Na+K"	61.952376
"253986"	716.258368	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+ACN+Na"	64.015768
"1226691"	390.137068	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+ACN+Na"	64.015768
"1715218"	390.160593	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+NH4+HCOOH"	64.039293
"1180939"	131.696318	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+3Na"	68.967654
"1662868"	395.115988	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Na+HCOOH"	68.994688
"166816"	729.16164	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+2K-H"	76.91904
"606377"	1055.28294	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+2K-H"	76.91904
"1095263"	403.04034	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2K-H"	76.91904
"152078"	365.084458	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"2M+2K"	77.926316
"593827"	528.145108	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"3M+2K"	77.926316
"1082593"	202.023808	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2K"	77.926316
"1110456"	405.054892	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2K+H"	78.933592
"1344655"	405.142507	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+DMSO+H"	79.021207
"1014279"	409.181676	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2ACN+H"	83.060376
"1530216"	410.175308	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+IsoProp+Na+H"	84.054008
"999948"	205.094476	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+2ACN+2H"	84.067652
"1596638"	411.089928	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+K+HCOOH"	84.968628
"1422300"	441.121438	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+H+CF3COOH"	115.000138
"1159147"	225.607751	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+3ACN+2H"	125.094202
"1705418"	458.147985	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+NH4+CF3COOH"	132.026685
"1642164"	463.10338	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+Na+CF3COOH"	136.98208
"1583283"	479.07732	"C08246"	"Robinobiose"	"C12H22O10"	"326.1213"	"M+K+CF3COOH"	152.95602
"807087"	326.1213	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M"	0
"988284"	307.10291	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-H2O-H"	-19.01839
"77742"	216.406924	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M-3H"	-3.021828
"517062"	325.114024	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M-3H"	-3.021828
"894742"	107.699824	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-3H"	-3.021828
"14775"	325.114024	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M-2H"	-2.014552
"450929"	488.174674	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M-2H"	-2.014552
"831532"	162.053374	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-2H"	-2.014552
"92372"	651.235324	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M-H"	-1.007276
"533028"	977.356624	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M-H"	-1.007276
"907180"	325.114024	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-H"	-1.007276
"60097"	668.261871	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M-2H+NH4"	16.019271
"500016"	994.383171	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M-2H+NH4"	16.019271
"878185"	342.140571	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-2H+NH4"	16.019271
"39159"	673.217266	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M-2H+Na"	20.974666
"482367"	999.338566	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M-2H+Na"	20.974666
"860532"	347.095966	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-2H+Na"	20.974666
"1626056"	347.095966	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Na-2H"	20.974666
"100400"	343.102363	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M-H+Cl"	33.962126
"543239"	506.163013	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M-H+Cl"	33.962126
"935661"	180.041713	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-H+Cl"	33.962126
"270939"	687.212002	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+Cl"	34.969402
"667734"	1013.333302	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+Cl"	34.969402
"1277953"	361.090702	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Cl"	34.969402
"27803"	689.191206	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M-2H+K"	36.948606
"460072"	1015.312506	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M-2H+K"	36.948606
"837874"	363.069906	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-2H+K"	36.948606
"1559175"	363.069906	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+K-2H"	36.948606
"950346"	371.119494	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-H+HCOOH"	44.998194
"368562"	697.240801	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+HCOOH-H"	44.998201
"352444"	711.256451	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+Hac-H"	59.013851
"1502371"	385.135151	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Hac-H"	59.013851
"965538"	393.101451	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-H+NaCOOH"	66.980151
"116633"	361.090702	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+2Cl"	69.938804
"559473"	524.151352	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+2Cl"	69.938804
"1026085"	198.030052	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2Cl"	69.938804
"1245666"	405.040185	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Br"	78.918885
"1311393"	407.096172	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Cl+HCOOH"	80.974872
"1328888"	429.078129	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Cl+NaCOOH"	102.956829
"917759"	439.106886	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M-H+CF3COOH"	112.985586
"1291189"	475.083564	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Cl+CF3COOH"	148.962264
"1372630"	291.108624	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H-2H2O"	-35.012676
"1391219"	309.1186	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H-H2O"	-17.0027
"288719"	653.249876	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+H"	1.007276
"677860"	979.371176	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+H"	1.007276
"1355303"	327.128576	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H"	1.007276
"138410"	327.128576	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+2H"	2.014552
"578698"	490.189226	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+2H"	2.014552
"1050045"	164.067926	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2H"	2.014552
"218308"	218.421476	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+3H"	3.021828
"652765"	327.128576	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+3H"	3.021828
"1177450"	109.714376	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+3H"	3.021828
"433070"	670.276423	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+NH4"	18.033823
"792975"	996.397723	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+NH4"	18.033823
"1686024"	344.155123	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+NH4"	18.033823
"332481"	335.6418495	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+H+NH4"	19.041099
"731100"	498.7024995	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+H+NH4"	19.041099
"1483100"	172.5811995	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H+NH4"	19.041099
"399228"	675.231818	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+Na"	22.989218
"760224"	1001.353118	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+Na"	22.989218
"1603213"	349.110518	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Na"	22.989218
"314628"	338.119547	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+H+Na"	23.996494
"708588"	501.180197	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+H+Na"	23.996494
"1463505"	175.058897	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H+Na"	23.996494
"1053265"	117.04169	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2H+Na"	25.00377
"1261704"	359.154786	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+CH3OH+H"	33.033486
"382466"	691.205758	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+K"	38.963158
"739817"	1017.327058	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+K"	38.963158
"1540209"	365.084458	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+K"	38.963158
"300144"	346.106517	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+H+K"	39.970434
"701686"	509.167167	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+H+K"	39.970434
"1452224"	183.045867	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H+K"	39.970434
"238639"	694.276426	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+ACN+H"	42.033826
"1215723"	368.155126	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+ACN+H"	42.033826
"1199605"	184.581201	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+ACN+2H"	43.041102
"192473"	697.21376	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+2Na-H"	44.97116
"631671"	1023.33506	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+2Na-H"	44.97116
"1133721"	371.09246	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2Na-H"	44.97116
"175554"	349.110518	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+2Na"	45.978436
"615110"	512.171168	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+2Na"	45.978436
"1118620"	186.049868	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2Na"	45.978436
"1400319"	124.369004	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H+2Na"	46.985712
"1433166"	373.134046	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H+HCOOH"	47.012746
"223227"	354.14354	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+3H2O+2H"	56.04448
"1511653"	387.18609	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+IsoProp+H"	61.06479
"412069"	357.097488	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+Na+K"	61.952376
"775984"	520.158138	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+Na+K"	61.952376
"1671582"	194.036838	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Na+K"	61.952376
"253003"	716.258368	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+ACN+Na"	64.015768
"1227167"	390.137068	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+ACN+Na"	64.015768
"1714233"	390.160593	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+NH4+HCOOH"	64.039293
"1179222"	131.696318	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+3Na"	68.967654
"1663345"	395.115988	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Na+HCOOH"	68.994688
"165832"	729.16164	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+2K-H"	76.91904
"607580"	1055.28294	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+2K-H"	76.91904
"1094278"	403.04034	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2K-H"	76.91904
"154373"	365.084458	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"2M+2K"	77.926316
"589562"	528.145108	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"3M+2K"	77.926316
"1079543"	202.023808	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2K"	77.926316
"1112753"	405.054892	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2K+H"	78.933592
"1344765"	405.142507	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+DMSO+H"	79.021207
"1011108"	409.181676	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2ACN+H"	83.060376
"1531420"	410.175308	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+IsoProp+Na+H"	84.054008
"1004189"	205.094476	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+2ACN+2H"	84.067652
"1597841"	411.089928	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+K+HCOOH"	84.968628
"1426782"	441.121438	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+H+CF3COOH"	115.000138
"1155977"	225.607751	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+3ACN+2H"	125.094202
"1705528"	458.147985	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+NH4+CF3COOH"	132.026685
"1642273"	463.10338	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+Na+CF3COOH"	136.98208
"1576832"	479.07732	"C08247"	"Rutinose"	"C12H22O10"	"326.1213"	"M+K+CF3COOH"	152.95602
"802822"	666.2219	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M"	0
"989486"	647.20351	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-H2O-H"	-19.01839
"76631"	443.140657333333	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M-3H"	-3.021828
"518098"	665.214624	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M-3H"	-3.021828
"894729"	221.066690666667	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-3H"	-3.021828
"15249"	665.214624	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M-2H"	-2.014552
"455608"	998.325574	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M-2H"	-2.014552
"832366"	332.103674	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-2H"	-2.014552
"93898"	1331.436524	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M-H"	-1.007276
"531554"	1997.658424	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M-H"	-1.007276
"908382"	665.214624	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-H"	-1.007276
"60205"	1348.463071	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M-2H+NH4"	16.019271
"501098"	2014.684971	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M-2H+NH4"	16.019271
"877564"	682.241171	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-2H+NH4"	16.019271
"41455"	1353.418466	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M-2H+Na"	20.974666
"483206"	2019.640366	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M-2H+Na"	20.974666
"861006"	687.196566	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-2H+Na"	20.974666
"1626166"	687.196566	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Na-2H"	20.974666
"98323"	683.202963	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M-H+Cl"	33.962126
"543349"	1016.313913	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M-H+Cl"	33.962126
"939051"	350.092013	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-H+Cl"	33.962126
"275422"	1367.413202	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+Cl"	34.969402
"671124"	2033.635102	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+Cl"	34.969402
"1279156"	701.191302	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Cl"	34.969402
"29006"	1369.392406	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M-2H+K"	36.948606
"461276"	2035.614306	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M-2H+K"	36.948606
"841264"	703.170506	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-2H+K"	36.948606
"1563659"	703.170506	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+K-2H"	36.948606
"951549"	711.220094	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-H+HCOOH"	44.998194
"371952"	1377.442001	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+HCOOH-H"	44.998201
"355834"	1391.457651	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+Hac-H"	59.013851
"1502481"	725.235751	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Hac-H"	59.013851
"966741"	733.202051	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-H+NaCOOH"	66.980151
"118929"	701.191302	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+2Cl"	69.938804
"559583"	1034.302252	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+2Cl"	69.938804
"1027289"	368.080352	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2Cl"	69.938804
"1251242"	745.140785	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Br"	78.918885
"1316606"	747.196772	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Cl+HCOOH"	80.974872
"1332278"	769.178729	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Cl+NaCOOH"	102.956829
"922243"	779.207486	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M-H+CF3COOH"	112.985586
"1294579"	815.184164	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Cl+CF3COOH"	148.962264
"1378207"	631.209224	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H-2H2O"	-35.012676
"1392422"	649.2192	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H-H2O"	-17.0027
"293202"	1333.451076	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+H"	1.007276
"682343"	1999.672976	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+H"	1.007276
"1355413"	667.229176	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H"	1.007276
"140949"	667.229176	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+2H"	2.014552
"579172"	1000.340126	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+2H"	2.014552
"1050886"	334.118226	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2H"	2.014552
"218665"	445.155209333333	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+3H"	3.021828
"655062"	667.229176	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+3H"	3.021828
"1176467"	223.081242666667	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+3H"	3.021828
"436096"	1350.477623	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+NH4"	18.033823
"795272"	2016.699523	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+NH4"	18.033823
"1688320"	684.255723	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+NH4"	18.033823
"333685"	675.7424495	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+H+NH4"	19.041099
"729023"	1008.8533995	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+H+NH4"	19.041099
"1480658"	342.6314995	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H+NH4"	19.041099
"401524"	1355.433018	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+Na"	22.989218
"758148"	2021.654918	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+Na"	22.989218
"1605149"	689.211118	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Na"	22.989218
"316642"	678.220147	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+H+Na"	23.996494
"709792"	1011.331097	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+H+Na"	23.996494
"1462643"	345.109197	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H+Na"	23.996494
"1055037"	230.408556666667	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2H+Na"	25.00377
"1258901"	699.255386	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+CH3OH+H"	33.033486
"383669"	1371.406958	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+K"	38.963158
"740662"	2037.628858	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+K"	38.963158
"1540889"	705.185058	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+K"	38.963158
"302442"	686.207117	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+H+K"	39.970434
"701795"	1019.318067	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+H+K"	39.970434
"1453428"	353.096167	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H+K"	39.970434
"238749"	1374.477626	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+ACN+H"	42.033826
"1216926"	708.255726	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+ACN+H"	42.033826
"1198622"	354.631501	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+ACN+2H"	43.041102
"191491"	1377.41496	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+2Na-H"	44.97116
"630685"	2043.63686	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+2Na-H"	44.97116
"1135654"	711.19306	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2Na-H"	44.97116
"176754"	689.211118	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+2Na"	45.978436
"619231"	1022.322068	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+2Na"	45.978436
"1119459"	356.100168	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2Na"	45.978436
"1404441"	237.735870666667	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H+2Na"	46.985712
"1442024"	713.234646	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H+HCOOH"	47.012746
"229534"	694.24414	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+3H2O+2H"	56.04448
"1514317"	727.28669	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+IsoProp+H"	61.06479
"412909"	697.198088	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+Na+K"	61.952376
"777187"	1030.309038	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+Na+K"	61.952376
"1670601"	364.087138	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Na+K"	61.952376
"252750"	1396.459568	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+ACN+Na"	64.015768
"1228373"	730.237668	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+ACN+Na"	64.015768
"1715437"	730.261193	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+NH4+HCOOH"	64.039293
"1179332"	245.063184666667	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+3Na"	68.967654
"1664548"	735.216588	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Na+HCOOH"	68.994688
"168128"	1409.36284	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+2K-H"	76.91904
"607689"	2075.58474	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+2K-H"	76.91904
"1093293"	743.14094	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2K-H"	76.91904
"155576"	705.185058	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"2M+2K"	77.926316
"589672"	1038.296008	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"3M+2K"	77.926316
"1078559"	372.074108	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2K"	77.926316
"1108486"	745.155492	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2K+H"	78.933592
"1345965"	745.243107	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+DMSO+H"	79.021207
"1014494"	749.282276	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2ACN+H"	83.060376
"1533716"	750.275908	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+IsoProp+Na+H"	84.054008
"999070"	375.144776	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+2ACN+2H"	84.067652
"1595764"	751.190528	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+K+HCOOH"	84.968628
"1425798"	781.222038	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+H+CF3COOH"	115.000138
"1156087"	395.658051	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+3ACN+2H"	125.094202
"1705638"	798.248585	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+NH4+CF3COOH"	132.026685
"1642383"	803.20398	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+Na+CF3COOH"	136.98208
"1573662"	819.17792	"C08248"	"Sesamose;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside"	"C24H42O21"	"666.2219"	"M+K+CF3COOH"	152.95602
"807306"	277.0589	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M"	0
"989556"	258.04051	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-H2O-H"	-19.01839
"78210"	183.698657333333	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M-3H"	-3.021828
"515939"	276.051624	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M-3H"	-3.021828
"894960"	91.3456906666667	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-3H"	-3.021828
"12684"	276.051624	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M-2H"	-2.014552
"455322"	414.581074	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M-2H"	-2.014552
"831829"	137.522174	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-2H"	-2.014552
"92103"	553.110524	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M-H"	-1.007276
"530691"	830.169424	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M-H"	-1.007276
"908492"	276.051624	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-H"	-1.007276
"62668"	570.137071	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M-2H+NH4"	16.019271
"498049"	847.195971	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M-2H+NH4"	16.019271
"878649"	293.078171	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-2H+NH4"	16.019271
"43753"	575.092466	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M-2H+Na"	20.974666
"486722"	852.151366	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M-2H+Na"	20.974666
"863752"	298.033566	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-2H+Na"	20.974666
"1628463"	298.033566	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Na-2H"	20.974666
"104994"	294.039963	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M-H+Cl"	33.962126
"543459"	432.569413	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M-H+Cl"	33.962126
"941839"	155.510513	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-H+Cl"	33.962126
"279906"	589.087202	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+Cl"	34.969402
"674031"	866.146102	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+Cl"	34.969402
"1282546"	312.028302	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Cl"	34.969402
"30859"	591.066406	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M-2H+K"	36.948606
"465760"	868.125306	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M-2H+K"	36.948606
"845748"	314.007506	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-2H+K"	36.948606
"1564860"	314.007506	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+K-2H"	36.948606
"953846"	322.057094	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-H+HCOOH"	44.998194
"372062"	599.116001	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+HCOOH-H"	44.998201
"359225"	613.131651	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+Hac-H"	59.013851
"1504778"	336.072751	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Hac-H"	59.013851
"967944"	344.039051	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-H+NaCOOH"	66.980151
"117946"	312.028302	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+2Cl"	69.938804
"559693"	450.557752	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+2Cl"	69.938804
"1032867"	173.498852	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2Cl"	69.938804
"1254633"	355.977785	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Br"	78.918885
"1315987"	358.033772	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Cl+HCOOH"	80.974872
"1331295"	380.015729	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Cl+NaCOOH"	102.956829
"922354"	390.044486	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M-H+CF3COOH"	112.985586
"1295782"	426.021164	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Cl+CF3COOH"	148.962264
"1379409"	242.046224	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H-2H2O"	-35.012676
"1392532"	260.0562	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H-H2O"	-17.0027
"293313"	555.125076	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+H"	1.007276
"682453"	832.183976	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+H"	1.007276
"1355519"	278.066176	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H"	1.007276
"140084"	278.066176	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+2H"	2.014552
"580011"	416.595626	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+2H"	2.014552
"1050630"	139.536726	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2H"	2.014552
"218893"	185.713209333333	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+3H"	3.021828
"657724"	278.066176	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+3H"	3.021828
"1177877"	93.3602426666667	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+3H"	3.021828
"436570"	572.151623	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+NH4"	18.033823
"799756"	849.210523	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+NH4"	18.033823
"1688431"	295.092723	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+NH4"	18.033823
"334525"	286.5794495	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+H+NH4"	19.041099
"726947"	425.1088995	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+H+NH4"	19.041099
"1481861"	148.0499995	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H+NH4"	19.041099
"402728"	577.107018	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+Na"	22.989218
"761538"	854.165918	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+Na"	22.989218
"1605259"	300.048118	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Na"	22.989218
"319670"	289.057147	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+H+Na"	23.996494
"708200"	427.586597	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+H+Na"	23.996494
"1462752"	150.527697	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H+Na"	23.996494
"1060249"	100.687556666667	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2H+Na"	25.00377
"1261926"	310.092386	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+CH3OH+H"	33.033486
"383779"	593.080958	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+K"	38.963158
"740772"	870.139858	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+K"	38.963158
"1541000"	316.022058	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+K"	38.963158
"303280"	297.044117	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+H+K"	39.970434
"700811"	435.573567	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+H+K"	39.970434
"1453538"	158.514667	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H+K"	39.970434
"239587"	596.151626	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+ACN+H"	42.033826
"1216306"	319.092726	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+ACN+H"	42.033826
"1199096"	160.050001	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+ACN+2H"	43.041102
"191964"	599.08896	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+2Na-H"	44.97116
"631890"	876.14786	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+2Na-H"	44.97116
"1136492"	322.03006	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2Na-H"	44.97116
"180147"	300.048118	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+2Na"	45.978436
"622257"	438.577568	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+2Na"	45.978436
"1124308"	161.518668	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2Na"	45.978436
"1406738"	108.014870666667	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H+2Na"	46.985712
"1441041"	324.071646	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H+HCOOH"	47.012746
"226364"	305.08114	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+3H2O+2H"	56.04448
"1510415"	338.12369	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+IsoProp+H"	61.06479
"411560"	308.035088	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+Na+K"	61.952376
"774015"	446.564538	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+Na+K"	61.952376
"1672534"	169.505638	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Na+K"	61.952376
"253592"	618.133568	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+ACN+Na"	64.015768
"1230673"	341.074668	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+ACN+Na"	64.015768
"1715183"	341.098193	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+NH4+HCOOH"	64.039293
"1179806"	115.342184666667	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+3Na"	68.967654
"1662472"	346.053588	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Na+HCOOH"	68.994688
"169331"	631.03684	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+2K-H"	76.91904
"607799"	908.09574	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+2K-H"	76.91904
"1095590"	353.97794	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2K-H"	76.91904
"154593"	316.022058	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"2M+2K"	77.926316
"589782"	454.551508	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"3M+2K"	77.926316
"1077576"	177.492608	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2K"	77.926316
"1108596"	355.992492	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2K+H"	78.933592
"1349355"	356.080107	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+DMSO+H"	79.021207
"1015699"	360.119276	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2ACN+H"	83.060376
"1534920"	361.112908	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+IsoProp+Na+H"	84.054008
"1004528"	180.563276	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+2ACN+2H"	84.067652
"1601341"	362.027528	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+K+HCOOH"	84.968628
"1427002"	392.059038	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+H+CF3COOH"	115.000138
"1159477"	201.076551	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+3ACN+2H"	125.094202
"1704655"	409.085585	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+NH4+CF3COOH"	132.026685
"1639213"	414.04098	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+Na+CF3COOH"	136.98208
"1574865"	430.01492	"C08249"	"Pyrimidine 5-deoxynucleotide"	"C9H14N2O6P"	"277.0589"	"M+K+CF3COOH"	152.95602
"804136"	342.1162	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M"	0
"989770"	323.09781	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"78489"	227.070190666667	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"516417"	341.108924	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"895273"	113.031457333333	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"12794"	341.108924	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"452350"	512.167024	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"831975"	170.050824	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"93793"	683.225124	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"533968"	1025.341324	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"910790"	341.108924	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"58599"	700.251671	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"495972"	1042.367871	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"871588"	358.135471	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"43501"	705.207066	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"484521"	1047.323266	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"856852"	363.090866	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1631854"	363.090866	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"109113"	359.097263	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"545757"	530.155363	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"942394"	188.039163	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"280384"	719.201802	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"670256"	1061.318002	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1283750"	377.085602	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"30686"	721.181006	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"462592"	1063.297206	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"843674"	379.064806	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1568986"	379.064806	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"954685"	387.114394	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"368890"	729.230601	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"354594"	743.246251	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1502699"	401.130051	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"968054"	409.096351	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"122430"	377.085602	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"559802"	548.143702	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1029695"	206.027502	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1252556"	421.035085	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1316097"	423.091072	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1332499"	445.073029	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"922101"	455.101786	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1298079"	491.078464	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1379521"	307.103524	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1396289"	325.1135	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"294517"	685.239676	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"680376"	1027.355876	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1354536"	343.123476	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"138737"	343.123476	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"580485"	514.181576	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1049646"	172.065376	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"211349"	229.084742666667	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"653096"	343.123476	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1171222"	115.046009333333	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"438503"	702.266223	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795494"	1044.382423	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1688544"	360.150023	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"332812"	351.6367495	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"726328"	522.6948495	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1484161"	180.5786495	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"397374"	707.221618	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"762742"	1049.337818	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1604517"	365.105418	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"317591"	354.114447	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"707944"	525.172547	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1461391"	183.056347	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1053068"	122.373323333333	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1257415"	375.149686	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"378907"	723.195558	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"740518"	1065.311758	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1544759"	381.079358	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"302298"	362.101417	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"702017"	533.159517	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1453651"	191.043317	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"242252"	726.266226	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1221521"	384.150026	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1203216"	192.578651	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"193171"	729.20356	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"630907"	1071.31976	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1141343"	387.08736	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"176975"	365.105418	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"617629"	536.163518	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1124418"	194.047318	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1406849"	129.700637333333	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1437872"	389.128946	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"227567"	370.13844	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1511254"	403.18099	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"411309"	373.092388	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"773032"	544.150488	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1671551"	202.034288	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"253702"	748.248168	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1227500"	406.131968	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1715298"	406.155493	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1179430"	137.027951333333	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1665457"	411.110888	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"171631"	761.15144	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"611188"	1103.26764	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1095704"	419.03524	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"154706"	381.079358	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"596211"	552.137458	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1078779"	210.021258	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1114052"	421.049792	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1347279"	421.137407	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1014719"	425.176576	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1538191"	426.170208	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1002573"	213.091926	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1599263"	427.084828	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1426749"	457.116338	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1158495"	233.605201	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1708047"	474.142885	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1639323"	479.09828	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1574975"	495.07222	"C08250"	"Sophorose;alpha-Sophorose;2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"804246"	504.169	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M"	0
"977779"	485.15061	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H2O-H"	-19.01839
"67116"	335.105390666667	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-3H"	-3.021828
"517254"	503.161724	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-3H"	-3.021828
"890684"	167.049057333333	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-3H"	-3.021828
"10717"	503.161724	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H"	-2.014552
"446993"	755.246224	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H"	-2.014552
"830991"	251.077224	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H"	-2.014552
"92442"	1007.330724	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-H"	-1.007276
"530910"	1511.499724	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-H"	-1.007276
"910169"	503.161724	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H"	-1.007276
"55429"	1024.357271	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+NH4"	16.019271
"492802"	1528.526271	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+NH4"	16.019271
"871698"	520.188271	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+NH4"	16.019271
"36320"	1029.312666	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+Na"	20.974666
"474788"	1533.481666	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+Na"	20.974666
"855869"	525.143666	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+Na"	20.974666
"1625403"	525.143666	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na-2H"	20.974666
"101932"	521.150063	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-H+Cl"	33.962126
"541493"	773.234563	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-H+Cl"	33.962126
"931728"	269.065563	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+Cl"	33.962126
"279765"	1043.307402	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Cl"	34.969402
"671459"	1547.476402	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Cl"	34.969402
"1281673"	539.138402	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl"	34.969402
"29700"	1045.286606	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M-2H+K"	36.948606
"467802"	1549.455606	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M-2H+K"	36.948606
"843784"	541.117606	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-2H+K"	36.948606
"1565085"	541.117606	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K-2H"	36.948606
"952972"	549.167194	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+HCOOH"	44.998194
"366812"	1053.336201	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+HCOOH-H"	44.998201
"353975"	1067.351851	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Hac-H"	59.013851
"1502809"	563.182851	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Hac-H"	59.013851
"968164"	571.149151	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+NaCOOH"	66.980151
"123633"	539.138402	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Cl"	69.938804
"561005"	791.222902	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Cl"	69.938804
"1029805"	287.053902	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Cl"	69.938804
"1253758"	583.087885	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Br"	78.918885
"1317300"	585.143872	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+HCOOH"	80.974872
"1331516"	607.125829	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+NaCOOH"	102.956829
"920388"	617.154586	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M-H+CF3COOH"	112.985586
"1299282"	653.131264	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Cl+CF3COOH"	148.962264
"1376351"	469.156324	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H-2H2O"	-35.012676
"1395670"	487.1663	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H-H2O"	-17.0027
"294627"	1009.345276	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H"	1.007276
"681579"	1513.514276	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H"	1.007276
"1356104"	505.176276	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H"	1.007276
"139576"	505.176276	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2H"	2.014552
"578407"	757.260776	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2H"	2.014552
"1050487"	253.091776	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2H"	2.014552
"214739"	337.119942666667	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+3H"	3.021828
"649925"	505.176276	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+3H"	3.021828
"1166958"	169.063609333333	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3H"	3.021828
"429136"	1026.371823	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+NH4"	18.033823
"794511"	1530.540823	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+NH4"	18.033823
"1691570"	522.202823	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4"	18.033823
"333651"	513.6895495	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+NH4"	19.041099
"729354"	765.7740495	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+NH4"	19.041099
"1482084"	261.6050495	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+NH4"	19.041099
"398577"	1031.327218	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Na"	22.989218
"763945"	1535.496218	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Na"	22.989218
"1602767"	527.158218	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na"	22.989218
"314360"	516.167247	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+Na"	23.996494
"707686"	768.251747	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+Na"	23.996494
"1461628"	264.082747	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+Na"	23.996494
"1052975"	176.390923333333	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2H+Na"	25.00377
"1257649"	537.202486	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+CH3OH+H"	33.033486
"377557"	1047.301158	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+K"	38.963158
"738561"	1551.470158	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+K"	38.963158
"1543410"	543.132158	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K"	38.963158
"299041"	524.154217	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+H+K"	39.970434
"697753"	776.238717	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+H+K"	39.970434
"1448294"	272.069717	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+K"	39.970434
"240175"	1050.371826	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+ACN+H"	42.033826
"1213611"	546.202826	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+H"	42.033826
"1199316"	273.605051	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+2H"	43.041102
"189631"	1053.30916	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Na-H"	44.97116
"628905"	1557.47816	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Na-H"	44.97116
"1135621"	549.14016	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Na-H"	44.97116
"173439"	527.158218	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2Na"	45.978436
"613364"	779.242718	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2Na"	45.978436
"1117236"	275.073718	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2Na"	45.978436
"1401856"	183.718237333333	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+2Na"	46.985712
"1433238"	551.181746	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+HCOOH"	47.012746
"222208"	532.19124	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+3H2O+2H"	56.04448
"1509537"	565.23379	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+IsoProp+H"	61.06479
"409959"	535.145188	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+Na+K"	61.952376
"770952"	787.229688	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+Na+K"	61.952376
"1667650"	283.060688	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+K"	61.952376
"252348"	1072.353768	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+ACN+Na"	64.015768
"1227003"	568.184768	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+ACN+Na"	64.015768
"1713214"	568.208293	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4+HCOOH"	64.039293
"1178884"	191.045551333333	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3Na"	68.967654
"1663784"	573.163688	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+HCOOH"	68.994688
"170648"	1085.25704	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2K-H"	76.91904
"611298"	1589.42604	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2K-H"	76.91904
"1094720"	581.08804	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K-H"	76.91904
"153723"	543.132158	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"2M+2K"	77.926316
"596772"	795.216658	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"3M+2K"	77.926316
"1077796"	291.047658	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K"	77.926316
"1115135"	583.102592	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2K+H"	78.933592
"1345203"	583.190207	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+DMSO+H"	79.021207
"1009725"	587.229376	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2ACN+H"	83.060376
"1536235"	588.223008	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+IsoProp+Na+H"	84.054008
"1003777"	294.118326	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+2ACN+2H"	84.067652
"1599373"	589.137628	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K+HCOOH"	84.968628
"1423943"	619.169138	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+H+CF3COOH"	115.000138
"1152044"	314.631601	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+3ACN+2H"	125.094202
"1705970"	636.195685	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+NH4+CF3COOH"	132.026685
"1639433"	641.15108	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+Na+CF3COOH"	136.98208
"1573992"	657.12502	"C08251"	"Umbelliferose;beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside"	"C18H32O16"	"504.169"	"M+K+CF3COOH"	152.95602
"804356"	828.2747	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M"	0
"977889"	809.25631	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-H2O-H"	-19.01839
"67226"	551.175857333333	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M-3H"	-3.021828
"515177"	827.267424	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M-3H"	-3.021828
"890064"	275.084290666667	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-3H"	-3.021828
"7547"	827.267424	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M-2H"	-2.014552
"446009"	1241.404774	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M-2H"	-2.014552
"823811"	413.130074	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-2H"	-2.014552
"92067"	1655.542124	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M-H"	-1.007276
"531872"	2483.816824	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M-H"	-1.007276
"906632"	827.267424	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-H"	-1.007276
"55539"	1672.568671	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M-2H+NH4"	16.019271
"492912"	2500.843371	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M-2H+NH4"	16.019271
"869255"	844.293971	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-2H+NH4"	16.019271
"42990"	1677.524066	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M-2H+Na"	20.974666
"473806"	2505.798766	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M-2H+Na"	20.974666
"855979"	849.249366	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-2H+Na"	20.974666
"1625513"	849.249366	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Na-2H"	20.974666
"103136"	845.255763	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M-H+Cl"	33.962126
"540510"	1259.393113	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M-H+Cl"	33.962126
"932931"	431.118413	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-H+Cl"	33.962126
"281212"	1691.518802	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+Cl"	34.969402
"672298"	2519.793502	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+Cl"	34.969402
"1281783"	863.244102	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Cl"	34.969402
"30055"	1693.498006	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M-2H+K"	36.948606
"467912"	2521.772706	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M-2H+K"	36.948606
"843894"	865.223306	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-2H+K"	36.948606
"1565195"	865.223306	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+K-2H"	36.948606
"953811"	873.272894	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-H+HCOOH"	44.998194
"364735"	1701.547601	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+HCOOH-H"	44.998201
"355178"	1715.563251	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+Hac-H"	59.013851
"1504012"	887.288551	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Hac-H"	59.013851
"964993"	895.254851	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-H+NaCOOH"	66.980151
"124836"	863.244102	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+2Cl"	69.938804
"561115"	1277.381452	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+2Cl"	69.938804
"1028821"	449.106752	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2Cl"	69.938804
"1254600"	907.193585	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Br"	78.918885
"1317778"	909.249572	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Cl+HCOOH"	80.974872
"1331261"	931.231529	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Cl+NaCOOH"	102.956829
"920497"	941.260286	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M-H+CF3COOH"	112.985586
"1297571"	977.236964	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Cl+CF3COOH"	148.962264
"1374274"	793.262024	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H-2H2O"	-35.012676
"1397240"	811.272	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H-H2O"	-17.0027
"294009"	1657.556676	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+H"	1.007276
"681690"	2485.831376	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+H"	1.007276
"1355122"	829.281976	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H"	1.007276
"138957"	829.281976	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+2H"	2.014552
"577786"	1243.419326	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+2H"	2.014552
"1046950"	415.144626	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2H"	2.014552
"211569"	553.190409333333	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+3H"	3.021828
"650035"	829.281976	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+3H"	3.021828
"1168162"	277.098842666667	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+3H"	3.021828
"433620"	1674.583223	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+NH4"	18.033823
"792434"	2502.857923	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+NH4"	18.033823
"1688764"	846.308523	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+NH4"	18.033823
"332668"	837.7952495	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+H+NH4"	19.041099
"723874"	1251.9325995	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+H+NH4"	19.041099
"1483287"	423.6578995	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H+NH4"	19.041099
"396864"	1679.538618	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+Na"	22.989218
"764056"	2507.813318	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+Na"	22.989218
"1602910"	851.263918	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Na"	22.989218
"314345"	840.272947	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+H+Na"	23.996494
"708042"	1254.410297	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+H+Na"	23.996494
"1461451"	426.135597	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H+Na"	23.996494
"1053201"	284.426156666667	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2H+Na"	25.00377
"1258363"	861.308186	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+CH3OH+H"	33.033486
"378274"	1695.512558	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+K"	38.963158
"739149"	2523.787258	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+K"	38.963158
"1540471"	867.237858	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+K"	38.963158
"299031"	848.259917	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+H+K"	39.970434
"696768"	1262.397267	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+H+K"	39.970434
"1449128"	434.122567	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H+K"	39.970434
"240650"	1698.583226	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+ACN+H"	42.033826
"1215180"	870.308526	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+ACN+H"	42.033826
"1197967"	435.657901	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+ACN+2H"	43.041102
"191566"	1701.52056	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+2Na-H"	44.97116
"629905"	2529.79526	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+2Na-H"	44.97116
"1136459"	873.24586	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2Na-H"	44.97116
"173914"	851.263918	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+2Na"	45.978436
"613837"	1265.401268	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+2Na"	45.978436
"1118074"	437.126568	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2Na"	45.978436
"1405977"	291.753470666667	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H+2Na"	46.985712
"1432984"	875.287446	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H+HCOOH"	47.012746
"221955"	856.29694	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+3H2O+2H"	56.04448
"1510739"	889.33949	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+IsoProp+H"	61.06479
"412253"	859.250888	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+Na+K"	61.952376
"770615"	1273.388238	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+Na+K"	61.952376
"1666051"	445.113538	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Na+K"	61.952376
"252457"	1720.565168	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+ACN+Na"	64.015768
"1225768"	892.290468	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+ACN+Na"	64.015768
"1713321"	892.313993	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+NH4+HCOOH"	64.039293
"1178717"	299.080784666667	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+3Na"	68.967654
"1650016"	897.269388	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Na+HCOOH"	68.994688
"169663"	1733.46844	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+2K-H"	76.91904
"608128"	2561.74314	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+2K-H"	76.91904
"1094829"	905.19374	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2K-H"	76.91904
"152739"	867.237858	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"2M+2K"	77.926316
"596193"	1281.375208	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"3M+2K"	77.926316
"1078999"	453.100508	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2K"	77.926316
"1113301"	907.208292	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2K+H"	78.933592
"1347500"	907.295907	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+DMSO+H"	79.021207
"1013843"	911.335076	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2ACN+H"	83.060376
"1531971"	912.328708	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+IsoProp+Na+H"	84.054008
"1002793"	456.171176	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+2ACN+2H"	84.067652
"1597296"	913.243328	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+K+HCOOH"	84.968628
"1427330"	943.274838	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+H+CF3COOH"	115.000138
"1152154"	476.684451	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+3ACN+2H"	125.094202
"1706080"	960.301385	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+NH4+CF3COOH"	132.026685
"1639543"	965.25678	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+Na+CF3COOH"	136.98208
"1574102"	981.23072	"C08252"	"Verbascose;beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside"	"C30H52O26"	"828.2747"	"M+K+CF3COOH"	152.95602
"802279"	344.1319	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M"	0
"980188"	325.11351	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-H2O-H"	-19.01839
"73904"	228.413990666667	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M-3H"	-3.021828
"509091"	343.124624	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M-3H"	-3.021828
"885802"	113.703357333333	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-3H"	-3.021828
"5465"	343.124624	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M-2H"	-2.014552
"445024"	515.190574	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M-2H"	-2.014552
"826107"	171.058674	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-2H"	-2.014552
"91567"	687.256524	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M-H"	-1.007276
"524565"	1031.388424	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M-H"	-1.007276
"906742"	343.124624	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-H"	-1.007276
"53462"	704.283071	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M-2H+NH4"	16.019271
"494116"	1048.414971	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M-2H+NH4"	16.019271
"868999"	360.151171	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-2H+NH4"	16.019271
"37995"	709.238466	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M-2H+Na"	20.974666
"477194"	1053.370366	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M-2H+Na"	20.974666
"856088"	365.106566	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-2H+Na"	20.974666
"1623069"	365.106566	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Na-2H"	20.974666
"102153"	361.112963	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M-H+Cl"	33.962126
"543899"	533.178913	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M-H+Cl"	33.962126
"934136"	189.047013	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-H+Cl"	33.962126
"274882"	723.233202	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+Cl"	34.969402
"665117"	1067.365102	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+Cl"	34.969402
"1281896"	379.101302	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Cl"	34.969402
"28829"	725.212406	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M-2H+K"	36.948606
"466202"	1069.344306	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M-2H+K"	36.948606
"841819"	381.080506	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-2H+K"	36.948606
"1560932"	381.080506	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+K-2H"	36.948606
"946629"	389.130094	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-H+HCOOH"	44.998194
"370312"	733.262001	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+HCOOH-H"	44.998201
"355288"	747.277651	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+Hac-H"	59.013851
"1503030"	403.145751	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Hac-H"	59.013851
"970572"	411.112051	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-H+NaCOOH"	66.980151
"123490"	379.101302	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+2Cl"	69.938804
"563050"	551.167252	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+2Cl"	69.938804
"1033677"	207.035352	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2Cl"	69.938804
"1254345"	423.050785	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Br"	78.918885
"1317524"	425.106772	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Cl+HCOOH"	80.974872
"1332104"	447.088729	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Cl+NaCOOH"	102.956829
"923161"	457.117486	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M-H+CF3COOH"	112.985586
"1296222"	493.094164	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Cl+CF3COOH"	148.962264
"1372197"	309.119224	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H-2H2O"	-35.012676
"1394068"	327.1292	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H-H2O"	-17.0027
"294484"	689.271076	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+H"	1.007276
"682895"	1033.402976	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+H"	1.007276
"1365083"	345.139176	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H"	1.007276
"137244"	345.139176	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+2H"	2.014552
"576804"	517.205126	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+2H"	2.014552
"1045964"	173.073226	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2H"	2.014552
"209489"	230.428542666667	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+3H"	3.021828
"649051"	345.139176	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+3H"	3.021828
"1168269"	115.717909333333	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+3H"	3.021828
"428266"	706.297623	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+NH4"	18.033823
"787438"	1050.429523	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+NH4"	18.033823
"1683765"	362.165723	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+NH4"	18.033823
"333499"	353.6524495	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+H+NH4"	19.041099
"725561"	525.7183995	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+H+NH4"	19.041099
"1478654"	181.5864995	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H+NH4"	19.041099
"394420"	711.253018	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+Na"	22.989218
"757231"	1055.384918	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+Na"	22.989218
"1604357"	367.121118	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Na"	22.989218
"317189"	356.130147	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+H+Na"	23.996494
"707540"	528.196097	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+H+Na"	23.996494
"1461727"	184.064197	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H+Na"	23.996494
"1053151"	123.045223333333	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2H+Na"	25.00377
"1257866"	377.165386	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+CH3OH+H"	33.033486
"377416"	727.226958	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+K"	38.963158
"739507"	1071.358858	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+K"	38.963158
"1542901"	383.095058	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+K"	38.963158
"301903"	364.117117	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+H+K"	39.970434
"696512"	536.183067	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+H+K"	39.970434
"1448142"	192.051167	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H+K"	39.970434
"239661"	730.297626	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+ACN+H"	42.033826
"1215652"	386.165726	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+ACN+H"	42.033826
"1196982"	193.586501	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+ACN+2H"	43.041102
"194229"	733.23496	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+2Na-H"	44.97116
"631605"	1077.36686	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+2Na-H"	44.97116
"1134743"	389.10306	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2Na-H"	44.97116
"174143"	367.121118	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+2Na"	45.978436
"614309"	539.187068	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+2Na"	45.978436
"1117207"	195.055168	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2Na"	45.978436
"1402800"	130.372537333333	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H+2Na"	46.985712
"1433821"	391.144646	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H+HCOOH"	47.012746
"222788"	372.15414	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+3H2O+2H"	56.04448
"1512308"	405.19669	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+IsoProp+H"	61.06479
"410540"	375.108088	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+Na+K"	61.952376
"770560"	547.174038	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+Na+K"	61.952376
"1666772"	203.042138	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Na+K"	61.952376
"252203"	752.279568	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+ACN+Na"	64.015768
"1226285"	408.147668	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+ACN+Na"	64.015768
"1714162"	408.171193	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+NH4+HCOOH"	64.039293
"1179016"	137.699851333333	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+3Na"	68.967654
"1664854"	413.126588	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Na+HCOOH"	68.994688
"166490"	765.18284	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+2K-H"	76.91904
"608239"	1109.31474	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+2K-H"	76.91904
"1093845"	421.05094	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2K-H"	76.91904
"155764"	383.095058	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"2M+2K"	77.926316
"592410"	555.161008	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"3M+2K"	77.926316
"1081295"	211.029108	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2K"	77.926316
"1114508"	423.065492	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2K+H"	78.933592
"1349554"	423.153107	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+DMSO+H"	79.021207
"1016140"	427.192276	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2ACN+H"	83.060376
"1530987"	428.185908	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+IsoProp+Na+H"	84.054008
"998529"	214.099776	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+2ACN+2H"	84.067652
"1597407"	429.100528	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+K+HCOOH"	84.968628
"1418695"	459.132038	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+H+CF3COOH"	115.000138
"1149349"	234.613051	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+3ACN+2H"	125.094202
"1701816"	476.158585	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+NH4+CF3COOH"	132.026685
"1639654"	481.11398	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+Na+CF3COOH"	136.98208
"1577493"	497.08792	"C08254"	"Clusianose"	"C12H24O11"	"344.1319"	"M+K+CF3COOH"	152.95602
"805670"	212.0896	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M"	0
"983578"	193.07121	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-H2O-H"	-19.01839
"75836"	140.385790666667	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M-3H"	-3.021828
"511389"	211.082324	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M-3H"	-3.021828
"883725"	69.6892573333333	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-3H"	-3.021828
"7762"	211.082324	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H"	-2.014552
"449508"	317.127124	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H"	-2.014552
"826217"	105.037524	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-2H"	-2.014552
"89491"	423.171924	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M-H"	-1.007276
"527956"	635.261524	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M-H"	-1.007276
"905758"	211.082324	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-H"	-1.007276
"61957"	440.198471	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H+NH4"	16.019271
"501516"	652.288071	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H+NH4"	16.019271
"869840"	228.108871	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-2H+NH4"	16.019271
"38105"	445.153866	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H+Na"	20.974666
"478399"	657.243466	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H+Na"	20.974666
"856198"	233.064266	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-2H+Na"	20.974666
"1621354"	233.064266	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Na-2H"	20.974666
"100075"	229.070663	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M-H+Cl"	33.962126
"544009"	335.115463	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M-H+Cl"	33.962126
"936433"	123.025863	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-H+Cl"	33.962126
"274992"	459.148602	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+Cl"	34.969402
"668507"	671.238202	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+Cl"	34.969402
"1282006"	247.059002	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl"	34.969402
"27843"	461.127806	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H+K"	36.948606
"466312"	673.217406	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H+K"	36.948606
"843022"	249.038206	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-2H+K"	36.948606
"1561042"	249.038206	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+K-2H"	36.948606
"952206"	257.087794	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-H+HCOOH"	44.998194
"372609"	469.177401	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+HCOOH-H"	44.998201
"355398"	483.193051	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+Hac-H"	59.013851
"1503137"	271.103451	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Hac-H"	59.013851
"969588"	279.069751	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-H+NaCOOH"	66.980151
"116306"	247.059002	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+2Cl"	69.938804
"562794"	353.103802	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+2Cl"	69.938804
"1033052"	141.014202	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2Cl"	69.938804
"1252633"	291.008485	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Br"	78.918885
"1313256"	293.064472	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl+HCOOH"	80.974872
"1333305"	315.046429	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl+NaCOOH"	102.956829
"920717"	325.075186	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M-H+CF3COOH"	112.985586
"1294145"	361.051864	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl+CF3COOH"	148.962264
"1370119"	177.076924	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H-2H2O"	-35.012676
"1393450"	195.0869	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H-H2O"	-17.0027
"292771"	425.186476	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+H"	1.007276
"681912"	637.276076	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+H"	1.007276
"1364099"	213.096876	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H"	1.007276
"136990"	213.096876	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+2H"	2.014552
"577281"	319.141676	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+2H"	2.014552
"1042793"	107.052076	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2H"	2.014552
"206315"	142.400342666667	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+3H"	3.021828
"649159"	213.096876	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+3H"	3.021828
"1167284"	71.7038093333333	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+3H"	3.021828
"433845"	442.213023	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+NH4"	18.033823
"789004"	654.302623	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+NH4"	18.033823
"1684243"	230.123423	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+NH4"	18.033823
"331787"	221.6101495	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+H+NH4"	19.041099
"725302"	327.6549495	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+H+NH4"	19.041099
"1478032"	115.5653495	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H+NH4"	19.041099
"396718"	447.168418	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+Na"	22.989218
"756612"	659.258018	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+Na"	22.989218
"1605076"	235.078818	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Na"	22.989218
"318028"	224.087847	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+H+Na"	23.996494
"707895"	330.132647	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+H+Na"	23.996494
"1461837"	118.043047	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H+Na"	23.996494
"1053098"	79.0311233333333	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2H+Na"	25.00377
"1257493"	245.123086	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+CH3OH+H"	33.033486
"377204"	463.142358	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+K"	38.963158
"740347"	675.231958	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+K"	38.963158
"1542646"	251.052758	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+K"	38.963158
"301649"	232.074817	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+H+K"	39.970434
"696987"	338.119617	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+H+K"	39.970434
"1448620"	126.030017	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H+K"	39.970434
"238679"	466.213026	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+ACN+H"	42.033826
"1215034"	254.123426	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+ACN+H"	42.033826
"1196728"	127.565351	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+ACN+2H"	43.041102
"192882"	469.15036	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+2Na-H"	44.97116
"633902"	681.23996	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+2Na-H"	44.97116
"1136679"	257.06076	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2Na-H"	44.97116
"175959"	235.078818	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+2Na"	45.978436
"614299"	341.123618	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+2Na"	45.978436
"1117928"	129.034018	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2Na"	45.978436
"1400358"	86.3584373333333	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H+2Na"	46.985712
"1432477"	259.102346	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H+HCOOH"	47.012746
"221075"	240.11184	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+3H2O+2H"	56.04448
"1513150"	273.15439	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+IsoProp+H"	61.06479
"411750"	243.065788	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+Na+K"	61.952376
"771399"	349.110588	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+Na+K"	61.952376
"1666760"	137.020988	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Na+K"	61.952376
"253040"	488.194968	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+ACN+Na"	64.015768
"1226839"	276.105368	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+ACN+Na"	64.015768
"1713544"	276.128893	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+NH4+HCOOH"	64.039293
"1179988"	93.6857513333333	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+3Na"	68.967654
"1663385"	281.084288	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Na+HCOOH"	68.994688
"165507"	501.09824	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+2K-H"	76.91904
"608349"	713.18784	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+2K-H"	76.91904
"1092862"	289.00864	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2K-H"	76.91904
"156729"	251.052758	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"2M+2K"	77.926316
"591427"	357.097558	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"3M+2K"	77.926316
"1079218"	145.007958	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2K"	77.926316
"1114859"	291.023192	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2K+H"	78.933592
"1350636"	291.110807	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+DMSO+H"	79.021207
"1016250"	295.149976	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2ACN+H"	83.060376
"1528911"	296.143608	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+IsoProp+Na+H"	84.054008
"1000826"	148.078626	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+2ACN+2H"	84.067652
"1597518"	297.058228	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+K+HCOOH"	84.968628
"1416618"	327.089738	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+H+CF3COOH"	115.000138
"1149095"	168.591901	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+3ACN+2H"	125.094202
"1699740"	344.116285	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+NH4+CF3COOH"	132.026685
"1638671"	349.07168	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+Na+CF3COOH"	136.98208
"1577603"	365.04562	"C08255"	"Perseitol;D-glycero-D-galacto-Heptitol"	"C7H16O7"	"212.0896"	"M+K+CF3COOH"	152.95602
"801566"	194.079	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M"	0
"981501"	175.06061	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-H2O-H"	-19.01839
"76676"	128.378724	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M-3H"	-3.021828
"512593"	193.071724	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M-3H"	-3.021828
"882742"	63.685724	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-3H"	-3.021828
"6784"	193.071724	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M-2H"	-2.014552
"446338"	290.111224	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M-2H"	-2.014552
"827421"	96.032224	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-2H"	-2.014552
"91787"	387.150724	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M-H"	-1.007276
"525880"	581.229724	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M-H"	-1.007276
"904775"	193.071724	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-H"	-1.007276
"59149"	404.177271	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M-2H+NH4"	16.019271
"500897"	598.256271	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M-2H+NH4"	16.019271
"870314"	210.098271	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-2H+NH4"	16.019271
"38215"	409.132666	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M-2H+Na"	20.974666
"476322"	603.211666	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M-2H+Na"	20.974666
"855215"	215.053666	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-2H+Na"	20.974666
"1619278"	215.053666	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Na-2H"	20.974666
"97999"	211.060063	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M-H+Cl"	33.962126
"538653"	308.099563	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M-H+Cl"	33.962126
"936543"	114.020563	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-H+Cl"	33.962126
"272916"	423.127402	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+Cl"	34.969402
"667524"	617.206402	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+Cl"	34.969402
"1283209"	229.048402	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Cl"	34.969402
"25767"	425.106606	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M-2H+K"	36.948606
"464235"	619.185606	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M-2H+K"	36.948606
"843132"	231.027606	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-2H+K"	36.948606
"1561153"	231.027606	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+K-2H"	36.948606
"952316"	239.077194	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-H+HCOOH"	44.998194
"373812"	433.156201	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+HCOOH-H"	44.998201
"355508"	447.171851	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+Hac-H"	59.013851
"1503247"	253.092851	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Hac-H"	59.013851
"971522"	261.059151	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-H+NaCOOH"	66.980151
"118602"	229.048402	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+2Cl"	69.938804
"563997"	326.087902	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+2Cl"	69.938804
"1033526"	132.008902	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2Cl"	69.938804
"1252741"	272.997885	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Br"	78.918885
"1313366"	275.053872	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Cl+HCOOH"	80.974872
"1333780"	297.035829	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Cl+NaCOOH"	102.956829
"924108"	307.064586	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M-H+CF3COOH"	112.985586
"1292432"	343.041264	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Cl+CF3COOH"	148.962264
"1370957"	159.066324	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H-2H2O"	-35.012676
"1385904"	177.0763	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H-H2O"	-17.0027
"285226"	389.165276	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+H"	1.007276
"679832"	583.244276	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+H"	1.007276
"1359468"	195.086276	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H"	1.007276
"138922"	195.086276	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+2H"	2.014552
"574472"	292.125776	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+2H"	2.014552
"1045089"	98.046776	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2H"	2.014552
"207519"	130.393276	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+3H"	3.021828
"649269"	195.086276	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+3H"	3.021828
"1166301"	65.700276	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+3H"	3.021828
"433955"	406.191823	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+NH4"	18.033823
"789478"	600.270823	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+NH4"	18.033823
"1684718"	212.112823	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+NH4"	18.033823
"331899"	203.5995495	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+H+NH4"	19.041099
"723954"	300.6390495	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+H+NH4"	19.041099
"1477100"	106.5600495	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H+NH4"	19.041099
"393542"	411.147218	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+Na"	22.989218
"754284"	605.226218	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+Na"	22.989218
"1602756"	217.068218	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Na"	22.989218
"314898"	206.077247	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+H+Na"	23.996494
"708858"	303.116747	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+H+Na"	23.996494
"1462191"	109.037747	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H+Na"	23.996494
"1052872"	73.02759	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2H+Na"	25.00377
"1257482"	227.112486	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+CH3OH+H"	33.033486
"380434"	427.121158	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+K"	38.963158
"740699"	621.200158	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+K"	38.963158
"1539911"	233.042158	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+K"	38.963158
"301024"	214.064217	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+H+K"	39.970434
"692473"	311.103717	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+H+K"	39.970434
"1446539"	117.024717	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H+K"	39.970434
"239153"	430.191826	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+ACN+H"	42.033826
"1212590"	236.112826	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+ACN+H"	42.033826
"1197567"	118.560051	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+ACN+2H"	43.041102
"190073"	433.12916	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+2Na-H"	44.97116
"636200"	627.20816	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+2Na-H"	44.97116
"1134236"	239.05016	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2Na-H"	44.97116
"173876"	217.068218	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+2Na"	45.978436
"614534"	314.107718	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+2Na"	45.978436
"1118767"	120.028718	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2Na"	45.978436
"1399492"	80.354904	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H+2Na"	46.985712
"1431490"	241.091746	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H+HCOOH"	47.012746
"220696"	222.10124	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+3H2O+2H"	56.04448
"1511436"	255.14379	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+IsoProp+H"	61.06479
"409669"	225.055188	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+Na+K"	61.952376
"770373"	322.094688	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+Na+K"	61.952376
"1666749"	128.015688	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Na+K"	61.952376
"253150"	452.173768	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+ACN+Na"	64.015768
"1225731"	258.094768	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+ACN+Na"	64.015768
"1714015"	258.118293	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+NH4+HCOOH"	64.039293
"1179370"	87.682218	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+3Na"	68.967654
"1663495"	263.073688	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Na+HCOOH"	68.994688
"164524"	465.07704	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+2K-H"	76.91904
"609552"	659.15604	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+2K-H"	76.91904
"1091879"	270.99804	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2K-H"	76.91904
"155134"	233.042158	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"2M+2K"	77.926316
"590444"	330.081658	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"3M+2K"	77.926316
"1078235"	136.002658	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2K"	77.926316
"1114118"	273.012592	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2K+H"	78.933592
"1348923"	273.100207	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+DMSO+H"	79.021207
"1016360"	277.139376	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2ACN+H"	83.060376
"1529021"	278.133008	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+IsoProp+Na+H"	84.054008
"998749"	139.073326	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+2ACN+2H"	84.067652
"1595441"	279.047628	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+K+HCOOH"	84.968628
"1416728"	309.079138	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+H+CF3COOH"	115.000138
"1148476"	159.586601	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+3ACN+2H"	125.094202
"1699850"	326.105685	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+NH4+CF3COOH"	132.026685
"1637688"	331.06108	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+Na+CF3COOH"	136.98208
"1577713"	347.03502	"C08257"	"(-)-Quebrachitol"	"C7H14O6"	"194.079"	"M+K+CF3COOH"	152.95602
"802610"	164.0685	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M"	0
"980518"	145.05011	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"75328"	108.371724	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"512704"	163.061224	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"883944"	53.682224	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"3612"	163.061224	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"448636"	245.095474	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"825344"	81.026974	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"86430"	327.129724	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"528178"	491.198224	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"903792"	163.061224	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"61934"	344.156271	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"495541"	508.224771	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"872249"	180.087771	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"42337"	349.111666	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"479712"	513.180166	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"853139"	185.043166	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1623766"	185.043166	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"102483"	181.049563	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"544233"	263.083813	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"935560"	99.015313	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"274120"	363.106402	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"668732"	527.174902	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1282228"	199.037902	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"23689"	365.085606	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"466533"	529.154106	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"837776"	201.017106	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1559076"	201.017106	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"957409"	209.066694	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"369549"	373.135201	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"354526"	387.150851	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1502265"	223.082351	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"971268"	231.048651	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"117619"	199.037902	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"558274"	281.072152	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1034368"	117.003652	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1252124"	242.987385	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1318218"	245.043372	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1330972"	267.025329	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"919845"	277.054086	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1291813"	313.030764	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1372528"	129.055824	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1388931"	147.0658	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"292991"	329.144276	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"679946"	493.212776	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1360307"	165.075776	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"135022"	165.075776	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"570934"	247.110026	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1038273"	83.041526	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"205811"	110.386276	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"647196"	165.075776	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1164951"	55.696776	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"434064"	346.170823	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"787037"	510.239323	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1682275"	182.102323	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"332008"	173.5890495	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"724428"	255.6232995	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1478249"	91.5547995	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"393281"	351.126218	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"755007"	515.194718	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1603016"	187.057718	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"314432"	176.066747	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"707504"	258.100997	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1461690"	94.032497	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1052992"	63.02409	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1257216"	197.101986	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"377625"	367.100158	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"740449"	531.168658	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1545416"	203.031658	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"298948"	184.053717	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"691532"	266.087967	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1445644"	102.019467	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"235723"	370.170826	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1211975"	206.102326	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1200598"	103.554801	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"196750"	373.10816	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"634124"	537.17666	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1136536"	209.03966	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"175816"	187.057718	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"613550"	269.091968	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1116326"	105.023468	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1400578"	70.351404	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1431961"	211.081246	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"222025"	192.09074	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1511180"	225.13329	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"409778"	195.044688	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"771139"	277.078938	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1666738"	113.010438	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"252889"	392.152768	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1226003"	228.084268	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1714498"	228.107793	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1180947"	77.678718	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1661056"	233.063188	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"161354"	405.05604	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"605290"	569.12454	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1093084"	240.98754	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"146620"	203.031658	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"588365"	285.065908	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1075065"	120.997408	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1109368"	243.002092	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1342474"	243.089707	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1016472"	247.128876	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1530223"	248.122508	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"996673"	124.068076	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1591177"	249.037128	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1422305"	279.068638	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1155876"	144.581351	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1707614"	296.095185	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1645450"	301.05058	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1577823"	317.02452	"C08258"	"()-Quercitol;d-Quercitol"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"801868"	164.0685	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M"	0
"981721"	145.05011	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"77746"	108.371724	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"516093"	163.061224	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"880776"	53.682224	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"4818"	163.061224	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"447654"	245.095474	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"823268"	81.026974	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"85447"	327.129724	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"522822"	491.198224	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"904996"	163.061224	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"60464"	344.156271	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"500754"	508.224771	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"873452"	180.087771	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"44639"	349.111666	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"477637"	513.180166	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"852157"	185.043166	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1621690"	185.043166	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"99314"	181.049563	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"544344"	263.083813	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"933485"	99.015313	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"272047"	363.106402	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"671760"	527.174902	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1279057"	199.037902	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"22706"	365.085606	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"464456"	529.154106	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"834605"	201.017106	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1558454"	201.017106	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"952538"	209.066694	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"364190"	373.135201	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"353544"	387.150851	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1498001"	223.082351	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"964450"	231.048651	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"122107"	199.037902	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"561665"	281.072152	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1034116"	117.003652	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1252599"	242.987385	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1311400"	245.043372	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1328896"	267.025329	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"922873"	277.054086	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1298850"	313.030764	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1378106"	129.055824	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1395238"	147.0658	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"289821"	329.144276	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"683336"	493.212776	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1358594"	165.075776	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"135860"	165.075776	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"572140"	247.110026	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1045310"	83.041526	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"207744"	110.386276	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"647306"	165.075776	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1167618"	55.696776	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"434174"	346.170823	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"788606"	510.239323	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1682751"	182.102323	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"332115"	173.5890495	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"724298"	255.6232995	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1477873"	91.5547995	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"393638"	351.126218	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"755116"	515.194718	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1606137"	187.057718	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"314957"	176.066747	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"707497"	258.100997	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1461794"	94.032497	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1053025"	63.02409	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1259527"	197.101986	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"380654"	367.100158	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"742382"	531.168658	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1544434"	203.031658	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"300150"	184.053717	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"691601"	266.087967	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1446393"	102.019467	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"236457"	370.170826	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1212083"	206.102326	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1197061"	103.554801	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"190295"	373.10816	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"636420"	537.17666	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1134457"	209.03966	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"175562"	187.057718	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"614025"	269.091968	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1117529"	105.023468	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1400323"	70.351404	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1431344"	211.081246	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"220805"	192.09074	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1510561"	225.13329	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"410980"	195.044688	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"771247"	277.078938	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1667942"	113.010438	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"252639"	392.152768	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1225790"	228.084268	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1713875"	228.107793	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1180326"	77.678718	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1662987"	233.063188	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"170216"	405.05604	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"607587"	569.12454	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1093194"	240.98754	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"151104"	203.031658	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"593945"	285.065908	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1079547"	120.997408	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1112759"	243.002092	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1349145"	243.089707	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1021201"	247.128876	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1534707"	248.122508	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"998970"	124.068076	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1592381"	249.037128	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1422415"	279.068638	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1154893"	144.581351	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1708817"	296.095185	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1645560"	301.05058	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1577933"	317.02452	"C08259"	"(-)-Viburnitol"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"808297"	212.0896	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M"	0
"984018"	193.07121	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-H2O-H"	-19.01839
"73359"	140.385790666667	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M-3H"	-3.021828
"515107"	211.082324	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M-3H"	-3.021828
"885259"	69.6892573333333	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-3H"	-3.021828
"7114"	211.082324	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H"	-2.014552
"447764"	317.127124	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H"	-2.014552
"824471"	105.037524	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-2H"	-2.014552
"85557"	423.171924	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M-H"	-1.007276
"525119"	635.261524	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M-H"	-1.007276
"905106"	211.082324	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-H"	-1.007276
"60574"	440.198471	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H+NH4"	16.019271
"496854"	652.288071	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H+NH4"	16.019271
"868095"	228.108871	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-2H+NH4"	16.019271
"39277"	445.153866	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H+Na"	20.974666
"474101"	657.243466	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H+Na"	20.974666
"852267"	233.064266	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-2H+Na"	20.974666
"1622893"	233.064266	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Na-2H"	20.974666
"97600"	229.070663	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M-H+Cl"	33.962126
"544454"	335.115463	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M-H+Cl"	33.962126
"935781"	123.025863	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-H+Cl"	33.962126
"275435"	459.148602	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+Cl"	34.969402
"671142"	671.238202	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+Cl"	34.969402
"1279167"	247.059002	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl"	34.969402
"20629"	461.127806	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M-2H+K"	36.948606
"467482"	673.217406	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M-2H+K"	36.948606
"843462"	249.038206	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-2H+K"	36.948606
"1563669"	249.038206	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+K-2H"	36.948606
"953741"	257.087794	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-H+HCOOH"	44.998194
"366486"	469.177401	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+HCOOH-H"	44.998201
"354745"	483.193051	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+Hac-H"	59.013851
"1498109"	271.103451	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Hac-H"	59.013851
"966745"	279.069751	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-H+NaCOOH"	66.980151
"123675"	247.059002	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+2Cl"	69.938804
"558493"	353.103802	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+2Cl"	69.938804
"1034226"	141.014202	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2Cl"	69.938804
"1252709"	291.008485	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Br"	78.918885
"1312604"	293.064472	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl+HCOOH"	80.974872
"1329006"	315.046429	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl+NaCOOH"	102.956829
"915689"	325.075186	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M-H+CF3COOH"	112.985586
"1295680"	361.051864	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Cl+CF3COOH"	148.962264
"1373841"	177.076924	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H-2H2O"	-35.012676
"1392432"	195.0869	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H-H2O"	-17.0027
"293211"	425.186476	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+H"	1.007276
"684539"	637.276076	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+H"	1.007276
"1360527"	213.096876	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H"	1.007276
"136334"	213.096876	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+2H"	2.014552
"575530"	319.141676	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+2H"	2.014552
"1041048"	107.052076	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2H"	2.014552
"210041"	142.400342666667	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+3H"	3.021828
"647416"	213.096876	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+3H"	3.021828
"1168821"	71.7038093333333	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+3H"	3.021828
"434284"	442.213023	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+NH4"	18.033823
"788716"	654.302623	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+NH4"	18.033823
"1683225"	230.123423	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+NH4"	18.033823
"331863"	221.6101495	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+H+NH4"	19.041099
"725014"	327.6549495	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+H+NH4"	19.041099
"1479563"	115.5653495	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H+NH4"	19.041099
"393750"	447.168418	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+Na"	22.989218
"756686"	659.258018	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+Na"	22.989218
"1603450"	235.078818	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Na"	22.989218
"315554"	224.087847	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+H+Na"	23.996494
"708216"	330.132647	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+H+Na"	23.996494
"1463983"	118.043047	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H+Na"	23.996494
"1054316"	79.0311233333333	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2H+Na"	25.00377
"1261826"	245.123086	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+CH3OH+H"	33.033486
"381496"	463.142358	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+K"	38.963158
"741764"	675.231958	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+K"	38.963158
"1541992"	251.052758	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+K"	38.963158
"299289"	232.074817	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+H+K"	39.970434
"691953"	338.119617	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+H+K"	39.970434
"1446622"	126.030017	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H+K"	39.970434
"236931"	466.213026	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+ACN+H"	42.033826
"1213652"	254.123426	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+ACN+H"	42.033826
"1200816"	127.565351	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+ACN+2H"	43.041102
"190771"	469.15036	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+2Na-H"	44.97116
"638716"	681.23996	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+2Na-H"	44.97116
"1133229"	257.06076	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2Na-H"	44.97116
"174697"	235.078818	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+2Na"	45.978436
"614135"	341.123618	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+2Na"	45.978436
"1118004"	129.034018	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2Na"	45.978436
"1400554"	86.3584373333333	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H+2Na"	46.985712
"1431335"	259.102346	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H+HCOOH"	47.012746
"221886"	240.11184	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+3H2O+2H"	56.04448
"1511402"	273.15439	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+IsoProp+H"	61.06479
"409633"	243.065788	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+Na+K"	61.952376
"771361"	349.110588	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+Na+K"	61.952376
"1666230"	137.020988	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Na+K"	61.952376
"253477"	488.194968	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+ACN+Na"	64.015768
"1226556"	276.105368	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+ACN+Na"	64.015768
"1713985"	276.128893	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+NH4+HCOOH"	64.039293
"1179340"	93.6857513333333	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+3Na"	68.967654
"1663461"	281.084288	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Na+HCOOH"	68.994688
"172392"	501.09824	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+2K-H"	76.91904
"606604"	713.18784	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+2K-H"	76.91904
"1094398"	289.00864	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2K-H"	76.91904
"152308"	251.052758	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"2M+2K"	77.926316
"594055"	357.097558	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"3M+2K"	77.926316
"1079657"	145.007958	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2K"	77.926316
"1109588"	291.023192	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2K+H"	78.933592
"1349134"	291.110807	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+DMSO+H"	79.021207
"1019973"	295.149976	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2ACN+H"	83.060376
"1531537"	296.143608	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+IsoProp+Na+H"	84.054008
"999079"	148.078626	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+2ACN+2H"	84.067652
"1593584"	297.058228	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+K+HCOOH"	84.968628
"1421432"	327.089738	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+H+CF3COOH"	115.000138
"1155000"	168.591901	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+3ACN+2H"	125.094202
"1705646"	344.116285	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+NH4+CF3COOH"	132.026685
"1643482"	349.07168	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+Na+CF3COOH"	136.98208
"1578043"	365.04562	"C08260"	"Volemitol;D-glycero-D-manno-Heptitol"	"C7H16O7"	"212.0896"	"M+K+CF3COOH"	152.95602
"802575"	188.1049	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M"	0
"986320"	169.08651	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-H2O-H"	-19.01839
"73469"	124.395990666667	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M-3H"	-3.021828
"514127"	187.097624	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M-3H"	-3.021828
"891929"	61.6943573333333	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-3H"	-3.021828
"12690"	187.097624	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M-2H"	-2.014552
"444594"	281.150074	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M-2H"	-2.014552
"823491"	93.045174	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-2H"	-2.014552
"81655"	375.202524	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M-H"	-1.007276
"526319"	563.307424	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M-H"	-1.007276
"904122"	187.097624	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-H"	-1.007276
"49024"	392.229071	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M-2H+NH4"	16.019271
"501095"	580.333971	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M-2H+NH4"	16.019271
"873673"	204.124171	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-2H+NH4"	16.019271
"38294"	397.184466	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M-2H+Na"	20.974666
"476760"	585.289366	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M-2H+Na"	20.974666
"855657"	209.079566	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-2H+Na"	20.974666
"1624095"	209.079566	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Na-2H"	20.974666
"96252"	205.085963	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M-H+Cl"	33.962126
"536907"	299.138413	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M-H+Cl"	33.962126
"940269"	111.033513	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-H+Cl"	33.962126
"276637"	411.179202	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+Cl"	34.969402
"667965"	599.284102	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+Cl"	34.969402
"1286565"	223.074302	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Cl"	34.969402
"26207"	413.158406	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M-2H+K"	36.948606
"465769"	601.263306	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M-2H+K"	36.948606
"841383"	225.053506	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-2H+K"	36.948606
"1563780"	225.053506	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+K-2H"	36.948606
"948381"	233.103094	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-H+HCOOH"	44.998194
"370969"	421.208001	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+HCOOH-H"	44.998201
"354854"	435.223651	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+Hac-H"	59.013851
"1498219"	247.118751	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Hac-H"	59.013851
"963575"	255.085051	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-H+NaCOOH"	66.980151
"115763"	223.074302	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+2Cl"	69.938804
"557510"	317.126752	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+2Cl"	69.938804
"1033241"	129.021852	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2Cl"	69.938804
"1252454"	267.023785	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Br"	78.918885
"1317453"	269.079772	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Cl+HCOOH"	80.974872
"1326929"	291.061729	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Cl+NaCOOH"	102.956829
"916894"	301.090486	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M-H+CF3COOH"	112.985586
"1293602"	337.067164	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Cl+CF3COOH"	148.962264
"1375045"	153.092224	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H-2H2O"	-35.012676
"1385979"	171.1022	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H-H2O"	-17.0027
"293687"	377.217076	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+H"	1.007276
"685015"	565.321976	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+H"	1.007276
"1362824"	189.112176	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H"	1.007276
"132796"	189.112176	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+2H"	2.014552
"575273"	283.164626	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+2H"	2.014552
"1045530"	95.059726	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2H"	2.014552
"212337"	126.410542666667	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+3H"	3.021828
"648616"	189.112176	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+3H"	3.021828
"1170027"	63.7089093333333	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+3H"	3.021828
"427829"	394.243623	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+NH4"	18.033823
"788825"	582.348523	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+NH4"	18.033823
"1683334"	206.138723	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+NH4"	18.033823
"331610"	197.6254495	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+H+NH4"	19.041099
"724399"	291.6778995	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+H+NH4"	19.041099
"1481858"	103.5729995	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H+NH4"	19.041099
"395435"	399.199018	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+Na"	22.989218
"754736"	587.303918	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+Na"	22.989218
"1603437"	211.094118	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Na"	22.989218
"315176"	200.103147	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+H+Na"	23.996494
"708814"	294.155597	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+H+Na"	23.996494
"1464094"	106.050697	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H+Na"	23.996494
"1056978"	71.0362233333333	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2H+Na"	25.00377
"1259750"	221.138386	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+CH3OH+H"	33.033486
"380511"	415.172958	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+K"	38.963158
"742967"	603.277858	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+K"	38.963158
"1542467"	227.068058	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+K"	38.963158
"300006"	208.090117	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+H+K"	39.970434
"694256"	302.142567	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+H+K"	39.970434
"1447713"	114.037667	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H+K"	39.970434
"236918"	418.243626	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+ACN+H"	42.033826
"1213395"	230.138726	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+ACN+H"	42.033826
"1198739"	115.573001	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+ACN+2H"	43.041102
"191974"	421.18096	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+2Na-H"	44.97116
"632263"	609.28586	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+2Na-H"	44.97116
"1133947"	233.07606	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2Na-H"	44.97116
"176142"	211.094118	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+2Na"	45.978436
"614609"	305.146568	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+2Na"	45.978436
"1118476"	117.041668	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2Na"	45.978436
"1401999"	78.3635373333333	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H+2Na"	46.985712
"1431931"	235.117646	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H+HCOOH"	47.012746
"224185"	216.12714	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+3H2O+2H"	56.04448
"1514436"	249.16969	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+IsoProp+H"	61.06479
"411570"	219.081088	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+Na+K"	61.952376
"771472"	313.133538	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+Na+K"	61.952376
"1667916"	125.028638	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Na+K"	61.952376
"254677"	440.225568	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+ACN+Na"	64.015768
"1227388"	252.120668	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+ACN+Na"	64.015768
"1713727"	252.144193	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+NH4+HCOOH"	64.039293
"1189669"	85.6908513333333	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+3Na"	68.967654
"1664066"	257.099588	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Na+HCOOH"	68.994688
"170436"	453.12884	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+2K-H"	76.91904
"608901"	641.23374	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+2K-H"	76.91904
"1094508"	265.02394	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2K-H"	76.91904
"149136"	227.068058	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"2M+2K"	77.926316
"593070"	321.120508	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"3M+2K"	77.926316
"1081833"	133.015608	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2K"	77.926316
"1109698"	267.038492	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2K+H"	78.933592
"1344990"	267.126107	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+DMSO+H"	79.021207
"1017895"	271.165276	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2ACN+H"	83.060376
"1531646"	272.158908	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+IsoProp+Na+H"	84.054008
"1001375"	136.086276	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+2ACN+2H"	84.067652
"1600253"	273.073528	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+K+HCOOH"	84.968628
"1421540"	303.105038	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+H+CF3COOH"	115.000138
"1154015"	156.599551	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+3ACN+2H"	125.094202
"1699195"	320.131585	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+NH4+CF3COOH"	132.026685
"1640314"	325.08698	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+Na+CF3COOH"	136.98208
"1584713"	341.06092	"C08261"	"Azelaic acid;Nonanedioic acid;17-Heptanedicarboxylic acid"	"C9H16O4"	"188.1049"	"M+K+CF3COOH"	152.95602
"805237"	102.0681	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M"	0
"986430"	83.04971	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-H2O-H"	-19.01839
"73579"	67.038124	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M-3H"	-3.021828
"515326"	101.060824	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M-3H"	-3.021828
"890943"	33.015424	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-3H"	-3.021828
"12801"	101.060824	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M-2H"	-2.014552
"443612"	152.094874	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M-2H"	-2.014552
"823598"	50.026774	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-2H"	-2.014552
"81401"	203.128924	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M-H"	-1.007276
"525335"	305.197024	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M-H"	-1.007276
"906418"	101.060824	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-H"	-1.007276
"58610"	220.155471	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M-2H+NH4"	16.019271
"500841"	322.223571	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M-2H+NH4"	16.019271
"874878"	118.087371	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-2H+NH4"	16.019271
"36580"	225.110866	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M-2H+Na"	20.974666
"475047"	327.178966	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M-2H+Na"	20.974666
"853580"	123.042766	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-2H+Na"	20.974666
"1625298"	123.042766	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Na-2H"	20.974666
"97453"	119.049163	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M-H+Cl"	33.962126
"537381"	170.083213	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M-H+Cl"	33.962126
"940016"	68.015113	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-H+Cl"	33.962126
"277840"	239.105602	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+Cl"	34.969402
"668075"	341.173702	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+Cl"	34.969402
"1285946"	137.037502	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Cl"	34.969402
"28503"	241.084806	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M-2H+K"	36.948606
"464785"	343.152906	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M-2H+K"	36.948606
"840399"	139.016706	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-2H+K"	36.948606
"1564983"	139.016706	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+K-2H"	36.948606
"948491"	147.066294	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-H+HCOOH"	44.998194
"371079"	249.134401	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+HCOOH-H"	44.998201
"354964"	263.150051	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+Hac-H"	59.013851
"1498329"	161.081951	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Hac-H"	59.013851
"965871"	169.048251	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-H+NaCOOH"	66.980151
"118059"	137.037502	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+2Cl"	69.938804
"557620"	188.071552	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+2Cl"	69.938804
"1034443"	86.003452	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2Cl"	69.938804
"1251470"	180.986985	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Br"	78.918885
"1316104"	183.042972	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Cl+HCOOH"	80.974872
"1325946"	205.024929	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Cl+NaCOOH"	102.956829
"917004"	215.053686	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M-H+CF3COOH"	112.985586
"1295898"	251.030364	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Cl+CF3COOH"	148.962264
"1374061"	67.055424	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H-2H2O"	-35.012676
"1386453"	85.0654	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H-H2O"	-17.0027
"292338"	205.143476	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+H"	1.007276
"685125"	307.211576	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+H"	1.007276
"1365123"	103.075376	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H"	1.007276
"131812"	103.075376	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+2H"	2.014552
"570279"	154.109426	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+2H"	2.014552
"1047463"	52.041326	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2H"	2.014552
"209167"	69.052676	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+3H"	3.021828
"646904"	103.075376	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+3H"	3.021828
"1171230"	35.029976	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+3H"	3.021828
"426116"	222.170023	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+NH4"	18.033823
"789663"	324.238123	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+NH4"	18.033823
"1684537"	120.101923	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+NH4"	18.033823
"330668"	111.5886495	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+H+NH4"	19.041099
"723210"	162.6226995	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+H+NH4"	19.041099
"1479781"	60.5545995	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H+NH4"	19.041099
"394817"	227.125418	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+Na"	22.989218
"756183"	329.193518	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+Na"	22.989218
"1604521"	125.057318	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Na"	22.989218
"314921"	114.066347	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+H+Na"	23.996494
"708072"	165.100397	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+H+Na"	23.996494
"1463475"	63.032297	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H+Na"	23.996494
"1057088"	42.35729	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2H+Na"	25.00377
"1259131"	135.101586	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+CH3OH+H"	33.033486
"379529"	243.099358	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+K"	38.963158
"741985"	345.167458	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+K"	38.963158
"1541485"	141.031258	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+K"	38.963158
"299753"	122.053317	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+H+K"	39.970434
"692054"	173.087367	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+H+K"	39.970434
"1446487"	71.019267	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H+K"	39.970434
"237149"	246.170026	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+ACN+H"	42.033826
"1211678"	144.101926	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+ACN+H"	42.033826
"1196297"	72.554601	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+ACN+2H"	43.041102
"192814"	249.10736	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+2Na-H"	44.97116
"633102"	351.17546	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+2Na-H"	44.97116
"1136245"	147.03926	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2Na-H"	44.97116
"175892"	125.057318	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+2Na"	45.978436
"618734"	176.091368	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+2Na"	45.978436
"1117135"	74.023268	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2Na"	45.978436
"1399686"	49.684604	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H+2Na"	46.985712
"1435692"	149.080846	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H+HCOOH"	47.012746
"226481"	130.09034	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+3H2O+2H"	56.04448
"1514545"	163.13289	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+IsoProp+H"	61.06479
"411678"	133.044288	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+Na+K"	61.952376
"771334"	184.078338	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+Na+K"	61.952376
"1667903"	82.010238	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Na+K"	61.952376
"253453"	268.151968	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+ACN+Na"	64.015768
"1226770"	166.083868	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+ACN+Na"	64.015768
"1715664"	166.107393	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+NH4+HCOOH"	64.039293
"1191235"	57.011918	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+3Na"	68.967654
"1664539"	171.062788	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Na+HCOOH"	68.994688
"170546"	281.05524	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+2K-H"	76.91904
"610104"	383.12334	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+2K-H"	76.91904
"1097898"	178.98714	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2K-H"	76.91904
"152526"	141.031258	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"2M+2K"	77.926316
"596871"	192.065308	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"3M+2K"	77.926316
"1083525"	89.997208	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2K"	77.926316
"1114912"	181.001692	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2K+H"	78.933592
"1347287"	181.089307	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+DMSO+H"	79.021207
"1016912"	185.128476	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2ACN+H"	83.060376
"1535035"	186.122108	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+IsoProp+Na+H"	84.054008
"1004523"	93.067876	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+2ACN+2H"	84.067652
"1602066"	187.036728	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+K+HCOOH"	84.968628
"1428211"	217.068238	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+H+CF3COOH"	115.000138
"1160686"	113.581151	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+3ACN+2H"	125.094202
"1699305"	234.094785	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+NH4+CF3COOH"	132.026685
"1640424"	239.05018	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+Na+CF3COOH"	136.98208
"1584823"	255.02412	"C08262"	"3-Methylbutanoic acid;Isovaleric acid;Isovalerate"	"C5H10O2"	"102.0681"	"M+K+CF3COOH"	152.95602
"802309"	131.0946	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M"	0
"987633"	112.07621	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"73689"	86.389124	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"514343"	130.087324	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"895503"	42.690924	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"14734"	130.087324	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"448096"	195.634624	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"831365"	64.540024	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"88074"	261.181924	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"525447"	392.276524	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"911191"	130.087324	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"62368"	278.208471	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"500101"	409.303071	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"873897"	147.113871	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"37421"	283.163866	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"479167"	414.258466	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"856970"	152.069266	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1627595"	152.069266	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"97565"	148.075663	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"537127"	213.622963	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"940129"	82.528363	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"280503"	297.158602	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"672560"	428.253202	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1281682"	166.064002	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"24241"	299.137806	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"464896"	430.232406	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"840509"	168.043206	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1566917"	168.043206	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"950789"	176.092794	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"374105"	307.187401	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"351064"	321.203051	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1502813"	190.108451	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"967076"	198.074751	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"118172"	166.064002	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"562473"	231.611302	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1034189"	100.516702	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1247206"	210.013485	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1311841"	212.069472	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1324963"	234.051429	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"917114"	244.080186	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1294916"	280.056864	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1377452"	96.081924	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1386928"	114.0919	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"292448"	263.196476	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"684870"	394.291076	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1366449"	132.101876	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"133016"	132.101876	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"574035"	197.649176	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1044658"	66.554576	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"210371"	88.403676	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"646284"	132.101876	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1173164"	44.705476	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"429147"	280.223023	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"789049"	411.317623	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1685377"	149.128423	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"330739"	140.6151495	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"724256"	206.1624495	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1477502"	75.0678495	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"392885"	285.178418	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"755442"	416.273018	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1604634"	154.083818	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"314338"	143.092847	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"708063"	208.640147	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1462977"	77.545547	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1056105"	52.03279	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1261064"	164.128086	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"379640"	301.152358	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"740637"	432.246958	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1540865"	170.057758	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"299497"	151.079817	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"691758"	216.627117	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1446112"	85.532517	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"236164"	304.223026	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1211425"	173.128426	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1195071"	87.067851	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"190006"	307.16036	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"630661"	438.25496	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1133438"	176.06576	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"173810"	154.083818	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"613059"	219.631118	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1116144"	88.536518	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1398694"	59.360104	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1429950"	178.107346	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"220092"	159.11684	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1512468"	192.15939	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"409601"	162.070788	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"770222"	227.618088	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1665663"	96.523488	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"251737"	326.204968	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1225662"	195.110368	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1714681"	195.133893	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1191345"	66.687418	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1663795"	200.089288	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"171755"	339.10824	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"608028"	470.20284	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1098008"	208.01364	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"151544"	170.057758	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"594384"	235.605058	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1082785"	104.510458	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1113685"	210.028192	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1349827"	210.115807	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1017022"	214.154976	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1535146"	215.148608	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"1002687"	107.581126	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1601567"	216.063228	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1428321"	246.094738	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1159702"	128.094401	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1700508"	263.121285	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1642720"	268.07668	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1584933"	284.05062	"C08263"	"beta-Alaninebetaine;beta-Alanine betaine;Propiobetaine;Trimethylalanine"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"812018"	147.0644	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M"	0
"986649"	128.04601	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-H2O-H"	-19.01839
"73798"	97.0356573333333	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M-3H"	-3.021828
"514453"	146.057124	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M-3H"	-3.021828
"895299"	48.0141906666667	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-3H"	-3.021828
"11930"	146.057124	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M-2H"	-2.014552
"454769"	219.589324	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M-2H"	-2.014552
"828196"	72.524924	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-2H"	-2.014552
"92202"	293.121524	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M-H"	-1.007276
"532127"	440.185924	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M-H"	-1.007276
"908957"	146.057124	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-H"	-1.007276
"61264"	310.148071	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M-2H+NH4"	16.019271
"501917"	457.212471	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M-2H+NH4"	16.019271
"876195"	163.083671	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-2H+NH4"	16.019271
"35345"	315.103466	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M-2H+Na"	20.974666
"472352"	462.167866	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M-2H+Na"	20.974666
"850520"	168.039066	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-2H+Na"	20.974666
"1621509"	168.039066	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Na-2H"	20.974666
"96581"	164.045463	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M-H+Cl"	33.962126
"537237"	237.577663	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M-H+Cl"	33.962126
"942591"	90.513263	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-H+Cl"	33.962126
"276971"	329.098202	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+Cl"	34.969402
"670852"	476.162602	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+Cl"	34.969402
"1288121"	182.033802	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Cl"	34.969402
"26538"	331.077406	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M-2H+K"	36.948606
"469746"	478.141806	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M-2H+K"	36.948606
"843901"	184.013006	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-2H+K"	36.948606
"1569215"	184.013006	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+K-2H"	36.948606
"954179"	192.062594	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-H+HCOOH"	44.998194
"372395"	339.127001	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+HCOOH-H"	44.998201
"355187"	353.142651	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+Hac-H"	59.013851
"1502924"	206.078251	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Hac-H"	59.013851
"972538"	214.044551	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-H+NaCOOH"	66.980151
"120468"	182.033802	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+2Cl"	69.938804
"564042"	255.566002	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+2Cl"	69.938804
"1032477"	108.501602	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2Cl"	69.938804
"1248409"	225.983285	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Br"	78.918885
"1318148"	228.039272	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Cl+HCOOH"	80.974872
"1329448"	250.021229	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Cl+NaCOOH"	102.956829
"920506"	260.049986	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M-H+CF3COOH"	112.985586
"1298307"	296.026664	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Cl+CF3COOH"	148.962264
"1380481"	112.051724	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H-2H2O"	-35.012676
"1391778"	130.0617	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H-H2O"	-17.0027
"289278"	295.136076	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+H"	1.007276
"683887"	442.200476	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+H"	1.007276
"1365708"	148.071676	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H"	1.007276
"136773"	148.071676	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+2H"	2.014552
"573780"	221.603876	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+2H"	2.014552
"1040756"	74.539476	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2H"	2.014552
"209387"	99.0502093333333	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+3H"	3.021828
"647855"	148.071676	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+3H"	3.021828
"1172181"	50.0287426666667	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+3H"	3.021828
"425979"	312.162623	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+NH4"	18.033823
"788067"	459.227023	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+NH4"	18.033823
"1683307"	165.098223	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+NH4"	18.033823
"330039"	156.5849495	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+H+NH4"	19.041099
"732754"	230.1171495	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+H+NH4"	19.041099
"1477043"	83.0527495	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H+NH4"	19.041099
"394071"	317.118018	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+Na"	22.989218
"757500"	464.182418	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+Na"	22.989218
"1602878"	170.053618	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Na"	22.989218
"315389"	159.062647	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+H+Na"	23.996494
"709146"	232.594847	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+H+Na"	23.996494
"1464789"	85.530447	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H+Na"	23.996494
"1054754"	57.3560566666667	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2H+Na"	25.00377
"1258986"	180.097886	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+CH3OH+H"	33.033486
"377559"	333.091958	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+K"	38.963158
"741838"	480.156358	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+K"	38.963158
"1542065"	186.027558	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+K"	38.963158
"299367"	167.049617	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+H+K"	39.970434
"692395"	240.581817	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+H+K"	39.970434
"1448409"	93.517417	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H+K"	39.970434
"236395"	336.162626	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+ACN+H"	42.033826
"1213359"	189.098226	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+ACN+H"	42.033826
"1197977"	95.052751	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+ACN+2H"	43.041102
"190601"	339.09996	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+2Na-H"	44.97116
"628819"	486.16436	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+2Na-H"	44.97116
"1133181"	192.03556	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2Na-H"	44.97116
"173312"	170.053618	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+2Na"	45.978436
"613358"	243.585818	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+2Na"	45.978436
"1116251"	96.521418	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2Na"	45.978436
"1398799"	64.6833706666667	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H+2Na"	46.985712
"1430437"	194.077146	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H+HCOOH"	47.012746
"220378"	175.08664	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+3H2O+2H"	56.04448
"1510026"	208.12919	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+IsoProp+H"	61.06479
"409711"	178.040588	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+Na+K"	61.952376
"770048"	251.572788	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+Na+K"	61.952376
"1665724"	104.508388	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Na+K"	61.952376
"251715"	358.144568	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+ACN+Na"	64.015768
"1225845"	211.080168	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+ACN+Na"	64.015768
"1713207"	211.103693	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+NH4+HCOOH"	64.039293
"1186351"	72.0106846666667	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+3Na"	68.967654
"1665124"	216.059088	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Na+HCOOH"	68.994688
"171744"	371.04784	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+2K-H"	76.91904
"612277"	518.11224	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+2K-H"	76.91904
"1098726"	223.98344	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2K-H"	76.91904
"150564"	186.027558	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"2M+2K"	77.926316
"592309"	259.559758	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"3M+2K"	77.926316
"1081196"	112.495358	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2K"	77.926316
"1114890"	225.997992	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2K+H"	78.933592
"1350426"	226.085607	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+DMSO+H"	79.021207
"1020291"	230.124776	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2ACN+H"	83.060376
"1539760"	231.118408	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+IsoProp+Na+H"	84.054008
"1005356"	115.566026	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+2ACN+2H"	84.067652
"1601313"	232.033028	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+K+HCOOH"	84.968628
"1428431"	262.064538	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+H+CF3COOH"	115.000138
"1159812"	136.079301	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+3ACN+2H"	125.094202
"1700618"	279.091085	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+NH4+CF3COOH"	132.026685
"1642830"	284.04648	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+Na+CF3COOH"	136.98208
"1585043"	300.02042	"C08264"	"L-Albizziine;Albizziin;L-2-Amino-3-ureidopropionic acid"	"C4H9N3O3"	"147.0644"	"M+K+CF3COOH"	152.95602
"802287"	177.046	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M"	0
"979104"	158.02761	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-H2O-H"	-19.01839
"67347"	117.023390666667	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M-3H"	-3.021828
"514563"	176.038724	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M-3H"	-3.021828
"892365"	58.0080573333333	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-3H"	-3.021828
"12410"	176.038724	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M-2H"	-2.014552
"454511"	264.561724	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M-2H"	-2.014552
"827581"	87.515724	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-2H"	-2.014552
"90851"	353.084724	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M-H"	-1.007276
"531505"	530.130724	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M-H"	-1.007276
"903471"	176.038724	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-H"	-1.007276
"60400"	370.111271	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M-2H+NH4"	16.019271
"500321"	547.157271	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M-2H+NH4"	16.019271
"870836"	193.065271	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-2H+NH4"	16.019271
"34362"	375.066666	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M-2H+Na"	20.974666
"471973"	552.112666	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M-2H+Na"	20.974666
"848805"	198.020666	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-2H+Na"	20.974666
"1619067"	198.020666	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Na-2H"	20.974666
"95963"	194.027063	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M-H+Cl"	33.962126
"537347"	282.550063	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M-H+Cl"	33.962126
"942343"	105.504063	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-H+Cl"	33.962126
"281095"	389.061402	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+Cl"	34.969402
"671691"	566.107402	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+Cl"	34.969402
"1288306"	212.015402	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Cl"	34.969402
"31158"	391.040606	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M-2H+K"	36.948606
"468399"	568.086606	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M-2H+K"	36.948606
"844743"	213.994606	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-2H+K"	36.948606
"1571016"	213.994606	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+K-2H"	36.948606
"954290"	222.044194	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-H+HCOOH"	44.998194
"369226"	399.090201	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+HCOOH-H"	44.998201
"356757"	413.105851	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+Hac-H"	59.013851
"1499756"	236.059851	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Hac-H"	59.013851
"972039"	244.026151	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-H+NaCOOH"	66.980151
"122405"	212.015402	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+2Cl"	69.938804
"562693"	300.538402	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+2Cl"	69.938804
"1035139"	123.492402	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2Cl"	69.938804
"1252893"	255.964885	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Br"	78.918885
"1318140"	258.020872	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Cl+HCOOH"	80.974872
"1332109"	280.002829	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Cl+NaCOOH"	102.956829
"920616"	290.031586	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M-H+CF3COOH"	112.985586
"1301333"	326.008264	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Cl+CF3COOH"	148.962264
"1378767"	142.033324	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H-2H2O"	-35.012676
"1391888"	160.0433	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H-H2O"	-17.0027
"289388"	355.099276	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+H"	1.007276
"685455"	532.145276	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+H"	1.007276
"1365088"	178.053276	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H"	1.007276
"132142"	178.053276	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+2H"	2.014552
"574983"	266.576276	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+2H"	2.014552
"1038678"	89.530276	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2H"	2.014552
"204872"	119.037942666667	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+3H"	3.021828
"646143"	178.053276	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+3H"	3.021828
"1172291"	60.0226093333333	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+3H"	3.021828
"429371"	372.125823	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+NH4"	18.033823
"791458"	549.171823	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+NH4"	18.033823
"1689978"	195.079823	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+NH4"	18.033823
"330723"	186.5665495	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+H+NH4"	19.041099
"730678"	275.0895495	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+H+NH4"	19.041099
"1477479"	98.0435495	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H+NH4"	19.041099
"396613"	377.081218	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+Na"	22.989218
"757610"	554.127218	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+Na"	22.989218
"1603272"	200.035218	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Na"	22.989218
"314768"	189.044247	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+H+Na"	23.996494
"708892"	277.567247	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+H+Na"	23.996494
"1463075"	100.521247	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H+Na"	23.996494
"1055229"	67.3499233333333	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2H+Na"	25.00377
"1260190"	210.079486	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+CH3OH+H"	33.033486
"379128"	393.055158	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+K"	38.963158
"740489"	570.101158	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+K"	38.963158
"1540956"	216.009158	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+K"	38.963158
"299598"	197.031217	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+H+K"	39.970434
"692869"	285.554217	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+H+K"	39.970434
"1448519"	108.508217	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H+K"	39.970434
"237841"	396.125826	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+ACN+H"	42.033826
"1212741"	219.079826	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+ACN+H"	42.033826
"1198087"	110.043551	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+ACN+2H"	43.041102
"191318"	399.06316	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+2Na-H"	44.97116
"630149"	576.10916	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+2Na-H"	44.97116
"1135478"	222.01716	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2Na-H"	44.97116
"174151"	200.035218	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+2Na"	45.978436
"613386"	288.558218	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+2Na"	45.978436
"1116603"	111.512218	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2Na"	45.978436
"1399196"	74.6772373333333	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H+2Na"	46.985712
"1430383"	224.058746	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H+HCOOH"	47.012746
"220607"	205.06824	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+3H2O+2H"	56.04448
"1509771"	238.11079	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+IsoProp+H"	61.06479
"409004"	208.022188	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+Na+K"	61.952376
"770400"	296.545188	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+Na+K"	61.952376
"1666447"	119.499188	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Na+K"	61.952376
"252438"	418.107768	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+ACN+Na"	64.015768
"1226286"	241.061768	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+ACN+Na"	64.015768
"1714166"	241.085293	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+NH4+HCOOH"	64.039293
"1185367"	82.0045513333333	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+3Na"	68.967654
"1661458"	246.040688	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Na+HCOOH"	68.994688
"170872"	431.01104	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+2K-H"	76.91904
"612017"	608.05704	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+2K-H"	76.91904
"1096040"	253.96504	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2K-H"	76.91904
"154802"	216.009158	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"2M+2K"	77.926316
"594483"	304.532158	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"3M+2K"	77.926316
"1083249"	127.486158	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2K"	77.926316
"1113423"	255.979592	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2K+H"	78.933592
"1348713"	256.067207	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+DMSO+H"	79.021207
"1018335"	260.106376	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2ACN+H"	83.060376
"1538406"	261.100008	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+IsoProp+Na+H"	84.054008
"1005182"	130.556826	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+2ACN+2H"	84.067652
"1599600"	262.014628	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+K+HCOOH"	84.968628
"1424167"	292.046138	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+H+CF3COOH"	115.000138
"1158829"	151.070101	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+3ACN+2H"	125.094202
"1700727"	309.072685	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+NH4+CF3COOH"	132.026685
"1640753"	314.02808	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+Na+CF3COOH"	136.98208
"1585153"	330.00202	"C08265"	"Alliin"	"C6H11NO3S"	"177.046"	"M+K+CF3COOH"	152.95602
"812238"	190.059	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M"	0
"986870"	171.04061	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-H2O-H"	-19.01839
"70738"	125.698724	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M-3H"	-3.021828
"514672"	189.051724	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M-3H"	-3.021828
"893569"	62.345724	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-3H"	-3.021828
"15070"	189.051724	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M-2H"	-2.014552
"453897"	284.081224	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M-2H"	-2.014552
"829514"	94.022224	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-2H"	-2.014552
"90599"	379.110724	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M-H"	-1.007276
"532342"	569.169724	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M-H"	-1.007276
"909538"	189.051724	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-H"	-1.007276
"59050"	396.137271	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M-2H+NH4"	16.019271
"500921"	586.196271	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M-2H+NH4"	16.019271
"875319"	206.078271	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-2H+NH4"	16.019271
"33378"	401.092666	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M-2H+Na"	20.974666
"472811"	591.151666	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M-2H+Na"	20.974666
"848957"	211.033666	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-2H+Na"	20.974666
"1619180"	211.033666	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Na-2H"	20.974666
"96801"	207.040063	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M-H+Cl"	33.962126
"537457"	302.069563	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M-H+Cl"	33.962126
"942045"	112.010563	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-H+Cl"	33.962126
"282435"	415.087402	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+Cl"	34.969402
"675089"	605.146402	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+Cl"	34.969402
"1288350"	225.028402	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Cl"	34.969402
"31339"	417.066606	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M-2H+K"	36.948606
"470338"	607.125606	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M-2H+K"	36.948606
"845218"	227.007606	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-2H+K"	36.948606
"1569566"	227.007606	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+K-2H"	36.948606
"956955"	235.057194	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-H+HCOOH"	44.998194
"374808"	425.116201	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+HCOOH-H"	44.998201
"359420"	439.131851	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+Hac-H"	59.013851
"1507286"	249.072851	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Hac-H"	59.013851
"971786"	257.039151	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-H+NaCOOH"	66.980151
"124951"	225.028402	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+2Cl"	69.938804
"563170"	320.057902	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+2Cl"	69.938804
"1036227"	129.998902	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2Cl"	69.938804
"1250818"	268.977885	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Br"	78.918885
"1318981"	271.033872	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Cl+HCOOH"	80.974872
"1332584"	293.015829	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Cl+NaCOOH"	102.956829
"920362"	303.044586	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M-H+CF3COOH"	112.985586
"1297798"	339.021264	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Cl+CF3COOH"	148.962264
"1381429"	155.046324	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H-2H2O"	-35.012676
"1393458"	173.0563	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H-H2O"	-17.0027
"296425"	381.125276	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+H"	1.007276
"687753"	571.184276	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+H"	1.007276
"1365198"	191.066276	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H"	1.007276
"131159"	191.066276	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+2H"	2.014552
"573636"	286.095776	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+2H"	2.014552
"1044622"	96.036776	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2H"	2.014552
"208513"	127.713276	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+3H"	3.021828
"646982"	191.066276	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+3H"	3.021828
"1173494"	64.360276	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+3H"	3.021828
"436041"	398.151823	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+NH4"	18.033823
"799223"	588.210823	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+NH4"	18.033823
"1686808"	208.092823	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+NH4"	18.033823
"340554"	199.5795495	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+H+NH4"	19.041099
"729697"	294.6090495	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+H+NH4"	19.041099
"1477797"	104.5500495	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H+NH4"	19.041099
"396724"	403.107218	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+Na"	22.989218
"759908"	593.166218	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+Na"	22.989218
"1603995"	213.048218	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Na"	22.989218
"317311"	202.057247	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+H+Na"	23.996494
"709489"	297.086747	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+H+Na"	23.996494
"1463186"	107.027747	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H+Na"	23.996494
"1054246"	71.68759	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2H+Na"	25.00377
"1259207"	223.092486	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+CH3OH+H"	33.033486
"379971"	419.081158	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+K"	38.963158
"739506"	609.140158	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+K"	38.963158
"1541192"	229.022158	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+K"	38.963158
"299096"	210.044217	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+H+K"	39.970434
"693348"	305.073717	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+H+K"	39.970434
"1447533"	115.014717	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H+K"	39.970434
"239417"	422.151826	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+ACN+H"	42.033826
"1214313"	232.092826	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+ACN+H"	42.033826
"1198196"	116.550051	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+ACN+2H"	43.041102
"191066"	425.08916	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+2Na-H"	44.97116
"632084"	615.14816	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+2Na-H"	44.97116
"1136322"	235.03016	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2Na-H"	44.97116
"174872"	213.048218	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+2Na"	45.978436
"615894"	308.077718	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+2Na"	45.978436
"1116477"	118.018718	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2Na"	45.978436
"1398783"	79.014904	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H+2Na"	46.985712
"1432853"	237.071746	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H+HCOOH"	47.012746
"223642"	218.08124	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+3H2O+2H"	56.04448
"1513893"	251.12379	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+IsoProp+H"	61.06479
"410300"	221.035188	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+Na+K"	61.952376
"770234"	316.064688	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+Na+K"	61.952376
"1666651"	126.005688	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Na+K"	61.952376
"252676"	444.133768	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+ACN+Na"	64.015768
"1225793"	254.074768	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+ACN+Na"	64.015768
"1713226"	254.098293	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+NH4+HCOOH"	64.039293
"1185477"	86.342218	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+3Na"	68.967654
"1661932"	259.053688	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Na+HCOOH"	68.994688
"170980"	457.03704	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+2K-H"	76.91904
"611634"	647.09604	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+2K-H"	76.91904
"1097242"	266.97804	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2K-H"	76.91904
"155763"	229.022158	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"2M+2K"	77.926316
"593620"	324.051658	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"3M+2K"	77.926316
"1083483"	133.992658	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2K"	77.926316
"1113410"	268.992592	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2K+H"	78.933592
"1349795"	269.080207	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+DMSO+H"	79.021207
"1017352"	273.119376	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2ACN+H"	83.060376
"1534384"	274.113008	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+IsoProp+Na+H"	84.054008
"1000831"	137.063326	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+2ACN+2H"	84.067652
"1601531"	275.027628	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+K+HCOOH"	84.968628
"1425370"	305.059138	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+H+CF3COOH"	115.000138
"1160033"	157.576601	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+3ACN+2H"	125.094202
"1700837"	322.085685	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+NH4+CF3COOH"	132.026685
"1640863"	327.04108	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+Na+CF3COOH"	136.98208
"1585263"	343.01502	"C08266"	"L-alpha-Amino-gamma-oxalylaminobutyric acid"	"C6H10N2O5"	"190.059"	"M+K+CF3COOH"	152.95602
"802628"	101.0477	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M"	0
"978231"	82.02931	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"64649"	66.3578573333333	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"507126"	100.040424	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"887118"	32.6752906666667	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"11161"	100.040424	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"451815"	150.564274	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"828525"	49.516574	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"90706"	201.088124	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"525888"	302.135824	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"903690"	100.040424	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"55876"	218.114671	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"497627"	319.162371	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"871055"	117.066971	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"32516"	223.070066	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"472313"	324.117766	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"850113"	122.022366	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1619322"	122.022366	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"95083"	118.028763	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"537568"	168.552613	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"942278"	67.504913	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"282297"	237.064802	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"675077"	338.112502	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1287972"	136.017102	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"30760"	239.044006	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"471015"	340.091706	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"847149"	137.996306	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1571127"	137.996306	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"956333"	146.045894	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"374551"	247.093601	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"358799"	261.109251	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1502164"	160.061551	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"971896"	168.027851	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"123720"	136.017102	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"563278"	186.540952	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1036334"	85.493252	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1250928"	179.966585	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1319455"	182.022572	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1333423"	204.004529	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"919743"	214.033286	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1296449"	250.009964	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1381540"	66.035024	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1392111"	84.045	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"296171"	203.102676	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"686770"	304.150376	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1365672"	102.054976	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"131269"	102.054976	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"574110"	152.578826	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1044003"	51.531126	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"208623"	68.3724093333333	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"647092"	102.054976	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1172875"	34.6898426666667	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"436151"	220.129223	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"798240"	321.176923	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1686918"	119.081523	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"337384"	110.5682495	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"726891"	161.0920995	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1478395"	60.0443995	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"395012"	225.084618	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"758925"	326.132318	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1604347"	124.036918	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"317421"	113.045947	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"709842"	163.569797	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1463417"	62.522097	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1053746"	42.0171566666667	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1259315"	134.081186	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"380080"	241.058558	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"739084"	342.106258	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1540692"	140.010858	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"299204"	121.032917	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"693093"	171.556767	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1447279"	70.509067	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"236610"	244.129226	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1214423"	143.081526	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1195752"	72.044401	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"189472"	247.06656	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"629641"	348.11426	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1136432"	146.01886	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"173643"	124.036918	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"613562"	174.560768	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1115655"	73.513068	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1398537"	49.3444706666667	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1433327"	148.060446	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"223752"	129.06994	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1514003"	162.11249	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"410773"	132.023888	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"770138"	182.547738	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1666759"	81.500038	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"252421"	266.111168	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1225661"	165.063468	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1713661"	165.086993	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1185587"	56.6717846666667	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1659855"	170.042388	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"171090"	279.01444	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"610651"	380.06214	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1096259"	177.96674	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"156116"	140.010858	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"595675"	190.534708	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1083346"	89.487008	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1113638"	179.981292	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1349665"	180.068907	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1013087"	184.108076	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1536681"	185.101708	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"1000941"	92.557676	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1601641"	186.016328	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1426574"	216.047838	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1160143"	113.070951	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1701311"	233.074385	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1640973"	238.02978	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1575532"	254.00372	"C08267"	"L-Azetidine 2-carboxylic acid;Azetidyl-2-carboxylic acid;(S)-(-)-Azetidine-2-carboxylic acid"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"803710"	127.0633	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M"	0
"978341"	108.04491	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-H2O-H"	-19.01839
"63219"	83.7015906666667	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M-3H"	-3.021828
"504320"	126.056024	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M-3H"	-3.021828
"885041"	41.3471573333333	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-3H"	-3.021828
"11271"	126.056024	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M-2H"	-2.014552
"445365"	189.587674	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M-2H"	-2.014552
"826448"	62.524374	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-2H"	-2.014552
"91544"	253.119324	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M-H"	-1.007276
"522718"	380.182624	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M-H"	-1.007276
"900520"	126.056024	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-H"	-1.007276
"49426"	270.145871	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M-2H+NH4"	16.019271
"496279"	397.209171	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M-2H+NH4"	16.019271
"871165"	143.082571	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-2H+NH4"	16.019271
"32990"	275.101266	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M-2H+Na"	20.974666
"471732"	402.164566	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M-2H+Na"	20.974666
"849498"	148.037966	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-2H+Na"	20.974666
"1619760"	148.037966	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Na-2H"	20.974666
"94502"	144.044363	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M-H+Cl"	33.962126
"536585"	207.576013	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M-H+Cl"	33.962126
"942466"	80.512713	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-H+Cl"	33.962126
"282726"	289.096002	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+Cl"	34.969402
"674206"	416.159302	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+Cl"	34.969402
"1286610"	162.032702	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Cl"	34.969402
"31070"	291.075206	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M-2H+K"	36.948606
"469456"	418.138506	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M-2H+K"	36.948606
"842157"	164.011906	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-2H+K"	36.948606
"1564552"	164.011906	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+K-2H"	36.948606
"949153"	172.061494	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-H+HCOOH"	44.998194
"373930"	299.124801	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+HCOOH-H"	44.998201
"356721"	313.140451	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+Hac-H"	59.013851
"1503733"	186.077151	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Hac-H"	59.013851
"970183"	194.043451	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-H+NaCOOH"	66.980151
"119456"	162.032702	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+2Cl"	69.938804
"558283"	225.564352	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+2Cl"	69.938804
"1030365"	98.501052	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2Cl"	69.938804
"1248851"	205.982185	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Br"	78.918885
"1311298"	208.038172	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Cl+HCOOH"	80.974872
"1330981"	230.020129	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Cl+NaCOOH"	102.956829
"913290"	240.048886	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M-H+CF3COOH"	112.985586
"1294373"	276.025564	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Cl+CF3COOH"	148.962264
"1379098"	92.050624	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H-2H2O"	-35.012676
"1392585"	110.0606	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H-H2O"	-17.0027
"293001"	255.133876	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+H"	1.007276
"686516"	382.197176	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+H"	1.007276
"1357399"	128.070576	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H"	1.007276
"129922"	128.070576	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+2H"	2.014552
"571669"	191.602226	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+2H"	2.014552
"1041926"	64.538926	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2H"	2.014552
"205816"	85.7161426666667	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+3H"	3.021828
"646109"	128.070576	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+3H"	3.021828
"1169705"	43.3617093333333	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+3H"	3.021828
"432981"	272.160423	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+NH4"	18.033823
"796164"	399.223723	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+NH4"	18.033823
"1683746"	145.097123	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+NH4"	18.033823
"332025"	136.5838495	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+H+NH4"	19.041099
"723960"	200.1154995	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+H+NH4"	19.041099
"1477126"	73.0521995	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H+NH4"	19.041099
"393664"	277.115818	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+Na"	22.989218
"756119"	404.179118	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+Na"	22.989218
"1603241"	150.052518	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Na"	22.989218
"315344"	139.061547	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+H+Na"	23.996494
"707109"	202.593197	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+H+Na"	23.996494
"1461335"	75.529897	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H+Na"	23.996494
"1052850"	50.6890233333333	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2H+Na"	25.00377
"1257316"	160.096786	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+CH3OH+H"	33.033486
"377170"	293.089758	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+K"	38.963158
"738565"	420.153058	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+K"	38.963158
"1539937"	166.026458	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+K"	38.963158
"298559"	147.048517	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+H+K"	39.970434
"691411"	210.580167	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+H+K"	39.970434
"1447754"	83.516867	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H+K"	39.970434
"237808"	296.160426	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+ACN+H"	42.033826
"1211253"	169.097126	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+ACN+H"	42.033826
"1195496"	85.052201	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+ACN+2H"	43.041102
"189461"	299.09776	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+2Na-H"	44.97116
"629753"	426.16106	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+2Na-H"	44.97116
"1136542"	172.03446	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2Na-H"	44.97116
"173306"	150.052518	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+2Na"	45.978436
"613106"	213.584168	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+2Na"	45.978436
"1115843"	86.520868	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2Na"	45.978436
"1398676"	58.0163373333333	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H+2Na"	46.985712
"1433073"	174.076046	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H+HCOOH"	47.012746
"221795"	155.08554	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+3H2O+2H"	56.04448
"1509740"	188.12809	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+IsoProp+H"	61.06479
"409179"	158.039488	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+Na+K"	61.952376
"770085"	221.571138	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+Na+K"	61.952376
"1667115"	94.507838	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Na+K"	61.952376
"252533"	318.142368	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+ACN+Na"	64.015768
"1226179"	191.079068	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+ACN+Na"	64.015768
"1713527"	191.102593	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+NH4+HCOOH"	64.039293
"1184603"	65.3436513333333	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+3Na"	68.967654
"1656685"	196.057988	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Na+HCOOH"	68.994688
"166827"	331.04564	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+2K-H"	76.91904
"608574"	458.10894	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+2K-H"	76.91904
"1096369"	203.98234	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2K-H"	76.91904
"156753"	166.026458	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"2M+2K"	77.926316
"594933"	229.558108	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"3M+2K"	77.926316
"1079444"	102.494808	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2K"	77.926316
"1113748"	205.996892	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2K+H"	78.933592
"1350136"	206.084507	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+DMSO+H"	79.021207
"1012103"	210.123676	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2ACN+H"	83.060376
"1533510"	211.117308	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+IsoProp+Na+H"	84.054008
"1002144"	105.565476	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+2ACN+2H"	84.067652
"1598835"	212.031928	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+K+HCOOH"	84.968628
"1427777"	242.063438	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+H+CF3COOH"	115.000138
"1160253"	126.078751	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+3ACN+2H"	125.094202
"1702150"	259.089985	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+NH4+CF3COOH"	132.026685
"1637803"	264.04538	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+Na+CF3COOH"	136.98208
"1575642"	280.01932	"C08268"	"L-Baikiain;45-Dehydropipecolic acid"	"C6H9NO2"	"127.0633"	"M+K+CF3COOH"	152.95602
"806007"	159.0895	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M"	0
"979544"	140.07111	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-H2O-H"	-19.01839
"63204"	105.052390666667	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M-3H"	-3.021828
"503214"	158.082224	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M-3H"	-3.021828
"885151"	52.0225573333333	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-3H"	-3.021828
"8101"	158.082224	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M-2H"	-2.014552
"445474"	237.626974	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M-2H"	-2.014552
"826558"	78.537474	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-2H"	-2.014552
"88738"	317.171724	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M-H"	-1.007276
"522828"	476.261224	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M-H"	-1.007276
"897350"	158.082224	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-H"	-1.007276
"49536"	334.198271	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M-2H+NH4"	16.019271
"493471"	493.287771	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M-2H+NH4"	16.019271
"869089"	175.108771	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-2H+NH4"	16.019271
"35895"	339.153666	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M-2H+Na"	20.974666
"471553"	498.243166	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M-2H+Na"	20.974666
"848583"	180.064166	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-2H+Na"	20.974666
"1619506"	180.064166	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Na-2H"	20.974666
"94492"	176.070563	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M-H+Cl"	33.962126
"536695"	255.615313	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M-H+Cl"	33.962126
"942449"	96.525813	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-H+Cl"	33.962126
"282628"	353.148402	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+Cl"	34.969402
"674559"	512.237902	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+Cl"	34.969402
"1287813"	194.058902	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Cl"	34.969402
"30368"	355.127606	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M-2H+K"	36.948606
"466650"	514.217106	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M-2H+K"	36.948606
"840080"	196.038106	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-2H+K"	36.948606
"1565755"	196.038106	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+K-2H"	36.948606
"950355"	204.087694	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-H+HCOOH"	44.998194
"371854"	363.177201	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+HCOOH-H"	44.998201
"354645"	377.192851	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+Hac-H"	59.013851
"1503478"	218.103351	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Hac-H"	59.013851
"970657"	226.069651	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-H+NaCOOH"	66.980151
"121024"	194.058902	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+2Cl"	69.938804
"561673"	273.603652	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+2Cl"	69.938804
"1030475"	114.514152	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2Cl"	69.938804
"1245680"	238.008385	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Br"	78.918885
"1309221"	240.064372	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Cl+HCOOH"	80.974872
"1323071"	262.046329	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Cl+NaCOOH"	102.956829
"913765"	272.075086	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M-H+CF3COOH"	112.985586
"1292296"	308.051764	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Cl+CF3COOH"	148.962264
"1379572"	124.076824	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H-2H2O"	-35.012676
"1393423"	142.0868	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H-H2O"	-17.0027
"293111"	319.186276	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+H"	1.007276
"686626"	478.275776	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+H"	1.007276
"1357509"	160.096776	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H"	1.007276
"130396"	160.096776	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+2H"	2.014552
"568863"	239.641526	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+2H"	2.014552
"1040943"	80.552026	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2H"	2.014552
"205926"	107.066942666667	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+3H"	3.021828
"646219"	160.096776	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+3H"	3.021828
"1169815"	54.0371093333333	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+3H"	3.021828
"434185"	336.212823	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+NH4"	18.033823
"795181"	495.302323	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+NH4"	18.033823
"1683856"	177.123323	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+NH4"	18.033823
"333228"	168.6100495	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+H+NH4"	19.041099
"723949"	248.1547995	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+H+NH4"	19.041099
"1478373"	89.0652995	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H+NH4"	19.041099
"394867"	341.168218	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+Na"	22.989218
"755865"	500.257718	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+Na"	22.989218
"1604326"	182.078718	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Na"	22.989218
"314639"	171.087747	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+H+Na"	23.996494
"707994"	250.632497	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+H+Na"	23.996494
"1462055"	91.542997	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H+Na"	23.996494
"1053397"	61.3644233333333	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2H+Na"	25.00377
"1258198"	192.122986	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+CH3OH+H"	33.033486
"377743"	357.142158	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+K"	38.963158
"739341"	516.231658	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+K"	38.963158
"1540422"	198.052658	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+K"	38.963158
"299903"	179.074717	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+H+K"	39.970434
"693309"	258.619467	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+H+K"	39.970434
"1448228"	99.529967	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H+K"	39.970434
"237556"	360.212826	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+ACN+H"	42.033826
"1210994"	201.123326	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+ACN+H"	42.033826
"1195240"	101.065301	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+ACN+2H"	43.041102
"190666"	363.15016	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+2Na-H"	44.97116
"629009"	522.23966	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+2Na-H"	44.97116
"1136652"	204.06066	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2Na-H"	44.97116
"172937"	182.078718	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+2Na"	45.978436
"613539"	261.623468	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+2Na"	45.978436
"1115664"	102.533968	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2Na"	45.978436
"1398787"	68.6917373333333	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H+2Na"	46.985712
"1430619"	206.102246	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H+HCOOH"	47.012746
"220324"	187.11174	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+3H2O+2H"	56.04448
"1509120"	220.15429	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+IsoProp+H"	61.06479
"408921"	190.065688	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+Na+K"	61.952376
"770016"	269.610438	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+Na+K"	61.952376
"1666127"	110.520938	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Na+K"	61.952376
"251630"	382.194768	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+ACN+Na"	64.015768
"1225841"	223.105268	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+ACN+Na"	64.015768
"1713233"	223.128793	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+NH4+HCOOH"	64.039293
"1184714"	76.0190513333333	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+3Na"	68.967654
"1655701"	228.084188	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Na+HCOOH"	68.994688
"162562"	395.09804	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+2K-H"	76.91904
"604309"	554.18754	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+2K-H"	76.91904
"1096478"	236.00854	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2K-H"	76.91904
"151106"	198.052658	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"2M+2K"	77.926316
"595041"	277.597408	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"3M+2K"	77.926316
"1080648"	118.507908	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2K"	77.926316
"1109482"	238.023092	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2K+H"	78.933592
"1348059"	238.110707	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+DMSO+H"	79.021207
"1011120"	242.149876	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2ACN+H"	83.060376
"1533620"	243.143508	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+IsoProp+Na+H"	84.054008
"1001161"	121.578576	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+2ACN+2H"	84.067652
"1598945"	244.058128	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+K+HCOOH"	84.968628
"1424607"	274.089638	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+H+CF3COOH"	115.000138
"1160363"	142.091851	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+3ACN+2H"	125.094202
"1699344"	291.116185	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+NH4+CF3COOH"	132.026685
"1641193"	296.07158	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+Na+CF3COOH"	136.98208
"1575752"	312.04552	"C08269"	"(-)-Betonicine;Betonicine"	"C7H13NO3"	"159.0895"	"M+K+CF3COOH"	152.95602
"812678"	134.0691	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M"	0
"979654"	115.05071	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-H2O-H"	-19.01839
"64615"	88.372124	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M-3H"	-3.021828
"504177"	133.061824	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M-3H"	-3.021828
"885261"	43.682424	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-3H"	-3.021828
"8211"	133.061824	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M-2H"	-2.014552
"445584"	200.096374	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M-2H"	-2.014552
"828855"	66.027274	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-2H"	-2.014552
"85567"	267.130924	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M-H"	-1.007276
"522938"	401.200024	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M-H"	-1.007276
"895916"	133.061824	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-H"	-1.007276
"55113"	284.157471	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M-2H+NH4"	16.019271
"490300"	418.226571	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M-2H+NH4"	16.019271
"865917"	150.088371	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-2H+NH4"	16.019271
"32846"	289.112866	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M-2H+Na"	20.974666
"471674"	423.181966	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M-2H+Na"	20.974666
"849114"	155.043766	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-2H+Na"	20.974666
"1619619"	155.043766	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Na-2H"	20.974666
"94809"	151.050163	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M-H+Cl"	33.962126
"536804"	218.084713	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M-H+Cl"	33.962126
"940896"	84.015613	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-H+Cl"	33.962126
"282008"	303.107602	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+Cl"	34.969402
"673333"	437.176702	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+Cl"	34.969402
"1287319"	169.038502	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Cl"	34.969402
"30727"	305.086806	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M-2H+K"	36.948606
"468946"	439.155906	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M-2H+K"	36.948606
"845656"	171.017706	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-2H+K"	36.948606
"1563678"	171.017706	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+K-2H"	36.948606
"951560"	179.067294	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-H+HCOOH"	44.998194
"371964"	313.136401	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+HCOOH-H"	44.998201
"358764"	327.152051	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+Hac-H"	59.013851
"1505048"	193.082951	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Hac-H"	59.013851
"970401"	201.049251	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-H+NaCOOH"	66.980151
"121134"	169.038502	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+2Cl"	69.938804
"562514"	236.073052	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+2Cl"	69.938804
"1033865"	102.003952	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2Cl"	69.938804
"1247977"	212.987985	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Br"	78.918885
"1311518"	215.043972	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Cl+HCOOH"	80.974872
"1325733"	237.025929	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Cl+NaCOOH"	102.956829
"915698"	247.054686	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M-H+CF3COOH"	112.985586
"1292406"	283.031364	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Cl+CF3COOH"	148.962264
"1380046"	99.056424	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H-2H2O"	-35.012676
"1390253"	117.0664	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H-H2O"	-17.0027
"288845"	269.145476	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+H"	1.007276
"682360"	403.214576	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+H"	1.007276
"1360899"	135.076376	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H"	1.007276
"131599"	135.076376	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+2H"	2.014552
"568242"	202.110926	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+2H"	2.014552
"1038135"	68.041826	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2H"	2.014552
"205547"	90.386676	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+3H"	3.021828
"646571"	135.076376	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+3H"	3.021828
"1166644"	45.696976	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+3H"	3.021828
"436482"	286.172023	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+NH4"	18.033823
"797476"	420.241123	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+NH4"	18.033823
"1691622"	152.102923	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+NH4"	18.033823
"336620"	143.5896495	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+H+NH4"	19.041099
"725761"	210.6241995	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+H+NH4"	19.041099
"1479577"	76.5550995	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H+NH4"	19.041099
"396071"	291.127418	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+Na"	22.989218
"760349"	425.196518	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+Na"	22.989218
"1603707"	157.058318	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Na"	22.989218
"318116"	146.067347	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+H+Na"	23.996494
"713453"	213.101897	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+H+Na"	23.996494
"1470190"	79.032797	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H+Na"	23.996494
"1056873"	53.02429	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2H+Na"	25.00377
"1258553"	167.102586	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+CH3OH+H"	33.033486
"377854"	307.101358	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+K"	38.963158
"739941"	441.170458	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+K"	38.963158
"1540900"	173.032258	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+K"	38.963158
"298926"	154.054317	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+H+K"	39.970434
"693419"	221.088867	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+H+K"	39.970434
"1448338"	87.019767	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H+K"	39.970434
"238032"	310.172026	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+ACN+H"	42.033826
"1213658"	176.102926	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+ACN+H"	42.033826
"1194748"	88.555101	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+ACN+2H"	43.041102
"190413"	313.10936	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+2Na-H"	44.97116
"629976"	447.17846	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+2Na-H"	44.97116
"1133482"	179.04026	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2Na-H"	44.97116
"173611"	157.058318	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+2Na"	45.978436
"613164"	224.092868	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+2Na"	45.978436
"1119840"	90.023768	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2Na"	45.978436
"1398574"	60.351604	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H+2Na"	46.985712
"1429898"	181.081846	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H+HCOOH"	47.012746
"222990"	162.09134	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+3H2O+2H"	56.04448
"1509961"	195.13389	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+IsoProp+H"	61.06479
"408749"	165.045288	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+Na+K"	61.952376
"770761"	232.079838	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+Na+K"	61.952376
"1665750"	98.010738	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Na+K"	61.952376
"253121"	332.153968	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+ACN+Na"	64.015768
"1226201"	198.084868	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+ACN+Na"	64.015768
"1713628"	198.108393	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+NH4+HCOOH"	64.039293
"1188105"	67.678918	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+3Na"	68.967654
"1655811"	203.063788	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Na+HCOOH"	68.994688
"164860"	345.05724	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+2K-H"	76.91904
"608794"	479.12634	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+2K-H"	76.91904
"1097682"	210.98814	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2K-H"	76.91904
"153403"	173.032258	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"2M+2K"	77.926316
"590777"	240.066808	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"3M+2K"	77.926316
"1079664"	105.997708	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2K"	77.926316
"1111778"	213.002692	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2K+H"	78.933592
"1345982"	213.090307	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+DMSO+H"	79.021207
"1014511"	217.129476	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2ACN+H"	83.060376
"1535917"	218.123108	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+IsoProp+Na+H"	84.054008
"997989"	109.068376	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+2ACN+2H"	84.067652
"1596868"	219.037728	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+K+HCOOH"	84.968628
"1424716"	249.069238	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+H+CF3COOH"	115.000138
"1156099"	129.581651	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+3ACN+2H"	125.094202
"1700184"	266.095785	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+NH4+CF3COOH"	132.026685
"1641303"	271.05118	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+Na+CF3COOH"	136.98208
"1575862"	287.02512	"C08270"	"L-Canaline;Canaline"	"C4H10N2O3"	"134.0691"	"M+K+CF3COOH"	152.95602
"804040"	202.0954	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M"	0
"979764"	183.07701	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-H2O-H"	-19.01839
"64725"	133.722990666667	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M-3H"	-3.021828
"508660"	201.088124	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M-3H"	-3.021828
"885371"	66.3578573333333	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-3H"	-3.021828
"5041"	201.088124	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M-2H"	-2.014552
"442413"	302.135824	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M-2H"	-2.014552
"817173"	100.040424	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-2H"	-2.014552
"80208"	403.183524	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M-H"	-1.007276
"519149"	605.278924	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M-H"	-1.007276
"896467"	201.088124	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-H"	-1.007276
"49755"	420.210071	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M-2H+NH4"	16.019271
"487973"	622.305471	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M-2H+NH4"	16.019271
"865296"	218.114671	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-2H+NH4"	16.019271
"32096"	425.165466	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M-2H+Na"	20.974666
"472635"	627.260866	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M-2H+Na"	20.974666
"849708"	223.070066	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-2H+Na"	20.974666
"1620453"	223.070066	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Na-2H"	20.974666
"95644"	219.076463	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M-H+Cl"	33.962126
"535939"	320.124163	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M-H+Cl"	33.962126
"939547"	118.028763	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-H+Cl"	33.962126
"281020"	439.160202	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+Cl"	34.969402
"671984"	641.255602	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+Cl"	34.969402
"1285480"	237.064802	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Cl"	34.969402
"29131"	441.139406	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M-2H+K"	36.948606
"466870"	643.234806	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M-2H+K"	36.948606
"842486"	239.044006	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-2H+K"	36.948606
"1567067"	239.044006	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+K-2H"	36.948606
"954951"	247.093594	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-H+HCOOH"	44.998194
"368791"	449.189001	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+HCOOH-H"	44.998201
"356686"	463.204651	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+Hac-H"	59.013851
"1506253"	261.109251	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Hac-H"	59.013851
"970875"	269.075551	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-H+NaCOOH"	66.980151
"117961"	237.064802	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+2Cl"	69.938804
"558614"	338.112502	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+2Cl"	69.938804
"1035069"	136.017102	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2Cl"	69.938804
"1245900"	281.014285	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Br"	78.918885
"1309805"	283.070272	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Cl+HCOOH"	80.974872
"1328029"	305.052229	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Cl+NaCOOH"	102.956829
"916900"	315.080986	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M-H+CF3COOH"	112.985586
"1295794"	351.057664	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Cl+CF3COOH"	148.962264
"1380156"	167.082724	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H-2H2O"	-35.012676
"1391456"	185.0927	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H-H2O"	-17.0027
"288955"	405.198076	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+H"	1.007276
"684656"	607.293476	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+H"	1.007276
"1361008"	203.102676	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H"	1.007276
"131709"	203.102676	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+2H"	2.014552
"569081"	304.150376	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+2H"	2.014552
"1038971"	102.054976	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2H"	2.014552
"207967"	135.737542666667	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+3H"	3.021828
"646439"	203.102676	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+3H"	3.021828
"1168942"	68.3724093333333	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+3H"	3.021828
"435498"	422.224623	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+NH4"	18.033823
"795401"	624.320023	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+NH4"	18.033823
"1688452"	220.129223	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+NH4"	18.033823
"336730"	211.6159495	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+H+NH4"	19.041099
"728059"	312.6636495	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+H+NH4"	19.041099
"1480052"	110.5682495	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H+NH4"	19.041099
"398370"	427.180018	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+Na"	22.989218
"763739"	629.275418	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+Na"	22.989218
"1603817"	225.084618	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Na"	22.989218
"317497"	214.093647	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+H+Na"	23.996494
"714293"	315.141347	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+H+Na"	23.996494
"1472487"	113.045947	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H+Na"	23.996494
"1061358"	75.6997233333333	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2H+Na"	25.00377
"1259028"	235.128886	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+CH3OH+H"	33.033486
"379423"	443.153958	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+K"	38.963158
"739690"	645.249358	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+K"	38.963158
"1541253"	241.058558	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+K"	38.963158
"300007"	222.080617	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+H+K"	39.970434
"692072"	323.128317	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+H+K"	39.970434
"1450271"	121.032917	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H+K"	39.970434
"238505"	446.224626	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+ACN+H"	42.033826
"1213767"	244.129226	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+ACN+H"	42.033826
"1195466"	122.568251	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+ACN+2H"	43.041102
"189429"	449.16196	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+2Na-H"	44.97116
"628987"	651.25736	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+2Na-H"	44.97116
"1133592"	247.06656	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2Na-H"	44.97116
"173112"	225.084618	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+2Na"	45.978436
"614618"	326.132318	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+2Na"	45.978436
"1115934"	124.036918	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2Na"	45.978436
"1398970"	83.0270373333333	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H+2Na"	46.985712
"1430718"	249.108146	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H+HCOOH"	47.012746
"224193"	230.11764	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+3H2O+2H"	56.04448
"1510071"	263.16019	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+IsoProp+H"	61.06479
"410850"	233.071588	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+Na+K"	61.952376
"771843"	334.119288	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+Na+K"	61.952376
"1666589"	132.023888	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Na+K"	61.952376
"253352"	468.206568	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+ACN+Na"	64.015768
"1226312"	266.111168	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+ACN+Na"	64.015768
"1714465"	266.134693	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+NH4+HCOOH"	64.039293
"1188214"	90.3543513333333	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+3Na"	68.967654
"1651546"	271.090088	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Na+HCOOH"	68.994688
"163876"	481.10984	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+2K-H"	76.91904
"608904"	683.20524	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+2K-H"	76.91904
"1094511"	279.01444	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2K-H"	76.91904
"151326"	241.058558	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"2M+2K"	77.926316
"589793"	342.106258	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"3M+2K"	77.926316
"1075399"	140.010858	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2K"	77.926316
"1110793"	281.028992	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2K+H"	78.933592
"1343905"	281.116607	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+DMSO+H"	79.021207
"1011340"	285.155776	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2ACN+H"	83.060376
"1531653"	286.149408	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+IsoProp+Na+H"	84.054008
"998099"	143.081526	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+2ACN+2H"	84.067652
"1594791"	287.064028	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+K+HCOOH"	84.968628
"1424825"	317.095538	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+H+CF3COOH"	115.000138
"1155116"	163.594801	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+3ACN+2H"	125.094202
"1700658"	334.122085	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+NH4+CF3COOH"	132.026685
"1641413"	339.07748	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+Na+CF3COOH"	136.98208
"1575972"	355.05142	"C08271"	"Coprine;N(5)-(1-Hydroxycyclopropyl)-L-glutamine"	"C8H14N2O4"	"202.0954"	"M+K+CF3COOH"	152.95602
"806337"	215.0807	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M"	0
"983154"	196.06231	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-H2O-H"	-19.01839
"70302"	142.379857333333	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M-3H"	-3.021828
"510957"	214.073424	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M-3H"	-3.021828
"885481"	70.6862906666667	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-3H"	-3.021828
"5150"	214.073424	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M-2H"	-2.014552
"442523"	321.613774	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M-2H"	-2.014552
"817525"	106.533074	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-2H"	-2.014552
"82505"	429.154124	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M-H"	-1.007276
"519994"	644.234824	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M-H"	-1.007276
"896580"	214.073424	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-H"	-1.007276
"50958"	446.180671	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M-2H+NH4"	16.019271
"489057"	661.261371	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M-2H+NH4"	16.019271
"867229"	231.099971	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-2H+NH4"	16.019271
"32448"	451.136066	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M-2H+Na"	20.974666
"472623"	666.216766	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M-2H+Na"	20.974666
"854679"	236.055366	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-2H+Na"	20.974666
"1619958"	236.055366	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Na-2H"	20.974666
"96122"	232.061763	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M-H+Cl"	33.962126
"541395"	339.602113	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M-H+Cl"	33.962126
"940021"	124.521413	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-H+Cl"	33.962126
"277850"	465.130802	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+Cl"	34.969402
"672094"	680.211502	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+Cl"	34.969402
"1285226"	250.050102	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Cl"	34.969402
"28147"	467.110006	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M-2H+K"	36.948606
"471248"	682.190706	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M-2H+K"	36.948606
"842596"	252.029306	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-2H+K"	36.948606
"1567177"	252.029306	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+K-2H"	36.948606
"955790"	260.078894	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-H+HCOOH"	44.998194
"368901"	475.159601	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+HCOOH-H"	44.998201
"355337"	489.175251	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+Hac-H"	59.013851
"1505994"	274.094551	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Hac-H"	59.013851
"971352"	282.060851	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-H+NaCOOH"	66.980151
"118069"	250.050102	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+2Cl"	69.938804
"560911"	357.590452	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+2Cl"	69.938804
"1032992"	142.509752	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2Cl"	69.938804
"1250383"	293.999585	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Br"	78.918885
"1311738"	296.055572	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Cl+HCOOH"	80.974872
"1331421"	318.037529	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Cl+NaCOOH"	102.956829
"920293"	328.066286	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M-H+CF3COOH"	112.985586
"1295905"	364.042964	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Cl+CF3COOH"	148.962264
"1380632"	180.068024	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H-2H2O"	-35.012676
"1393753"	198.078	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H-H2O"	-17.0027
"287973"	431.168676	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+H"	1.007276
"690600"	646.249376	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+H"	1.007276
"1354558"	216.087976	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H"	1.007276
"129265"	216.087976	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+2H"	2.014552
"569191"	323.628326	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+2H"	2.014552
"1039446"	108.547626	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2H"	2.014552
"207348"	144.394409333333	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+3H"	3.021828
"654204"	216.087976	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+3H"	3.021828
"1171240"	72.7008426666667	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+3H"	3.021828
"430139"	448.195223	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+NH4"	18.033823
"793322"	663.275923	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+NH4"	18.033823
"1687467"	233.114523	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+NH4"	18.033823
"334650"	224.6012495	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+H+NH4"	19.041099
"725249"	332.1415995	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+H+NH4"	19.041099
"1481986"	117.0608995	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H+NH4"	19.041099
"393741"	453.150618	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+Na"	22.989218
"760565"	668.231318	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+Na"	22.989218
"1606479"	238.069918	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Na"	22.989218
"325261"	227.078947	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+H+Na"	23.996494
"712216"	334.619297	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+H+Na"	23.996494
"1466038"	119.538597	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H+Na"	23.996494
"1056002"	80.0281566666667	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2H+Na"	25.00377
"1262056"	248.114186	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+CH3OH+H"	33.033486
"381724"	469.124558	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+K"	38.963158
"744905"	684.205258	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+K"	38.963158
"1542584"	254.043858	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+K"	38.963158
"300123"	235.065917	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+H+K"	39.970434
"693277"	342.606267	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+H+K"	39.970434
"1452567"	127.525567	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H+K"	39.970434
"242263"	472.195226	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+ACN+H"	42.033826
"1213878"	257.114526	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+ACN+H"	42.033826
"1198856"	129.060901	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+ACN+2H"	43.041102
"190635"	475.13256	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+2Na-H"	44.97116
"630317"	690.21326	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+2Na-H"	44.97116
"1136983"	260.05186	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2Na-H"	44.97116
"174194"	238.069918	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+2Na"	45.978436
"613999"	345.610268	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+2Na"	45.978436
"1116532"	130.529568	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2Na"	45.978436
"1399570"	87.3554706666667	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H+2Na"	46.985712
"1431199"	262.093446	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H+HCOOH"	47.012746
"224303"	243.10294	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+3H2O+2H"	56.04448
"1515648"	276.14549	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+IsoProp+H"	61.06479
"409868"	246.056888	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+Na+K"	61.952376
"771467"	353.597238	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+Na+K"	61.952376
"1670103"	138.516538	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Na+K"	61.952376
"255893"	494.177168	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+ACN+Na"	64.015768
"1228243"	279.096468	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+ACN+Na"	64.015768
"1717491"	279.119993	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+NH4+HCOOH"	64.039293
"1188324"	94.6827846666667	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+3Na"	68.967654
"1653844"	284.075388	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Na+HCOOH"	68.994688
"161797"	507.08044	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+2K-H"	76.91904
"606828"	722.16114	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+2K-H"	76.91904
"1093527"	291.99974	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2K-H"	76.91904
"145969"	254.043858	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"2M+2K"	77.926316
"589903"	361.584208	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"3M+2K"	77.926316
"1075508"	146.503508	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2K"	77.926316
"1109813"	294.014292	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2K+H"	78.933592
"1342920"	294.101907	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+DMSO+H"	79.021207
"1014733"	298.141076	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2ACN+H"	83.060376
"1531762"	299.134708	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+IsoProp+Na+H"	84.054008
"997116"	149.574176	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+2ACN+2H"	84.067652
"1597088"	300.049328	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+K+HCOOH"	84.968628
"1421654"	330.080838	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+H+CF3COOH"	115.000138
"1159600"	170.087451	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+3ACN+2H"	125.094202
"1701498"	347.107385	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+NH4+CF3COOH"	132.026685
"1641523"	352.06278	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+Na+CF3COOH"	136.98208
"1579362"	368.03672	"C08272"	"Kinetin;6-Furfuryladenine"	"C10H9N5O"	"215.0807"	"M+K+CF3COOH"	152.95602
"806447"	167.0946	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M"	0
"986546"	148.07621	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"70414"	110.389124	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"506695"	166.087324	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"884498"	54.690924	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"5260"	166.087324	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"442634"	249.634624	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"818371"	82.540024	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"85895"	333.181924	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"519983"	500.276524	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"896936"	166.087324	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"51429"	350.208471	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"489168"	517.303071	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"866240"	183.113871	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"33172"	355.163866	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"473704"	522.258466	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"850051"	188.069266	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1621043"	188.069266	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"96478"	184.075663	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"539319"	267.622963	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"936852"	100.528363	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"276501"	369.158602	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"671476"	536.253202	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1285337"	202.064002	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"28627"	371.137806	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"465997"	538.232406	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"845987"	204.043206	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1562914"	204.043206	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"950796"	212.092794	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"373022"	379.187401	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"355082"	393.203051	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1505011"	226.108451	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"963804"	234.074751	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"114899"	202.064002	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"558834"	285.611302	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1030914"	118.516702	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1249398"	246.013485	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1306138"	248.069472	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1331533"	270.051429	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"920402"	280.080186	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1300395"	316.056864	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1380377"	132.081924	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1393863"	150.0919	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"291363"	335.196476	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"690345"	502.291076	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1359041"	168.101876	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"133024"	168.101876	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"569303"	251.649176	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1041383"	84.554576	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"208193"	112.403676	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"651034"	168.101876	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1169162"	56.705476	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"431343"	352.223023	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"791247"	519.317623	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1681782"	185.128423	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"330181"	176.6151495	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"723900"	260.1624495	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1485373"	93.0678495	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"401865"	357.178418	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"760675"	524.273018	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1606587"	190.083818	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"322090"	179.092847	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"717791"	262.640147	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1463958"	95.545547	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1055747"	64.03279	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1264352"	200.128086	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"380741"	373.152358	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"742464"	540.246958	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1541600"	206.057758	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"299869"	187.079817	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"693753"	270.627117	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1452678"	103.532517	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"239455"	376.223026	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1212898"	209.128426	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1194469"	105.067851	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"192933"	379.16036	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"636870"	546.25496	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1133813"	212.06576	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"182571"	190.083818	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"623225"	273.631118	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1118711"	106.536518	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1405152"	71.360104	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1434351"	214.107346	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"222223"	195.11684	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1515758"	228.15939	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"410341"	198.070788	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"771091"	281.618088	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1669119"	114.523488	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"253457"	398.204968	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1228353"	231.110368	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1716143"	231.133893	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1188434"	78.687418	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1651280"	236.089288	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"166284"	411.10824	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"603657"	578.20284	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1089261"	244.01364	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"144986"	206.057758	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"585639"	289.605058	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1076712"	122.510458	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1109923"	246.028192	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1343024"	246.115807	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1013749"	250.154976	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1529687"	251.148608	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"990542"	125.581126	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1591732"	252.063228	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1425047"	282.094738	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1153148"	146.094401	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1703795"	299.121285	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1641633"	304.07668	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1576192"	320.05062	"C08273"	"25-Dihydrophenylalanine;L-25-Dihydrophenylalanine"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"806557"	254.0395	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M"	0
"987749"	235.02111	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-H2O-H"	-19.01839
"73805"	168.352390666667	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M-3H"	-3.021828
"517012"	253.032224	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M-3H"	-3.021828
"883513"	83.6725573333333	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-3H"	-3.021828
"3182"	253.032224	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M-2H"	-2.014552
"442377"	380.051974	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M-2H"	-2.014552
"818724"	126.012474	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-2H"	-2.014552
"84912"	507.071724	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M-H"	-1.007276
"519364"	761.111224	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M-H"	-1.007276
"898258"	253.032224	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-H"	-1.007276
"49717"	524.098271	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M-2H+NH4"	16.019271
"489643"	778.137771	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M-2H+NH4"	16.019271
"866352"	270.058771	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-2H+NH4"	16.019271
"33163"	529.053666	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M-2H+Na"	20.974666
"476003"	783.093166	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M-2H+Na"	20.974666
"850527"	275.014166	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-2H+Na"	20.974666
"1621153"	275.014166	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Na-2H"	20.974666
"98774"	271.020563	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M-H+Cl"	33.962126
"538336"	398.040313	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M-H+Cl"	33.962126
"934045"	144.000813	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-H+Cl"	33.962126
"279527"	543.048402	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+Cl"	34.969402
"666117"	797.087902	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+Cl"	34.969402
"1286175"	289.008902	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Cl"	34.969402
"23263"	545.027606	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M-2H+K"	36.948606
"465013"	799.067106	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M-2H+K"	36.948606
"838442"	290.988106	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-2H+K"	36.948606
"1564116"	290.988106	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+K-2H"	36.948606
"946531"	299.037694	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-H+HCOOH"	44.998194
"364746"	553.077201	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+HCOOH-H"	44.998201
"350818"	567.092851	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+Hac-H"	59.013851
"1504753"	313.053351	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Hac-H"	59.013851
"967191"	321.019651	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-H+NaCOOH"	66.980151
"120473"	289.008902	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+2Cl"	69.938804
"560766"	416.028652	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+2Cl"	69.938804
"1032844"	161.989152	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2Cl"	69.938804
"1248415"	332.958385	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Br"	78.918885
"1305399"	335.014372	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Cl+HCOOH"	80.974872
"1330550"	356.996329	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Cl+NaCOOH"	102.956829
"918326"	367.025086	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M-H+CF3COOH"	112.985586
"1299412"	403.001764	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Cl+CF3COOH"	148.962264
"1380487"	219.026824	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H-2H2O"	-35.012676
"1393973"	237.0368	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H-H2O"	-17.0027
"291473"	509.086276	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+H"	1.007276
"690457"	763.125776	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+H"	1.007276
"1354778"	255.046776	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H"	1.007276
"129854"	255.046776	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+2H"	2.014552
"569413"	382.066526	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+2H"	2.014552
"1039307"	128.027026	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2H"	2.014552
"211583"	170.366942666667	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+3H"	3.021828
"653331"	255.046776	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+3H"	3.021828
"1169272"	85.6871093333333	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+3H"	3.021828
"430360"	526.112823	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+NH4"	18.033823
"786981"	780.152323	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+NH4"	18.033823
"1681325"	272.073323	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+NH4"	18.033823
"330859"	263.5600495	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+H+NH4"	19.041099
"723644"	390.5797995	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+H+NH4"	19.041099
"1485483"	136.5402995	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H+NH4"	19.041099
"401975"	531.068218	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+Na"	22.989218
"764065"	785.107718	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+Na"	22.989218
"1605602"	277.028718	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Na"	22.989218
"318920"	266.037747	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+H+Na"	23.996494
"713526"	393.057497	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+H+Na"	23.996494
"1471722"	139.017997	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H+Na"	23.996494
"1054763"	93.0144233333333	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2H+Na"	25.00377
"1262639"	287.072986	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+CH3OH+H"	33.033486
"378663"	547.042158	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+K"	38.963158
"740751"	801.081658	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+K"	38.963158
"1541346"	293.002658	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+K"	38.963158
"301074"	274.024717	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+H+K"	39.970434
"692160"	401.044467	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+H+K"	39.970434
"1447682"	147.004967	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H+K"	39.970434
"237011"	550.112826	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+ACN+H"	42.033826
"1211059"	296.073326	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+ACN+H"	42.033826
"1194618"	148.540301	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+ACN+2H"	43.041102
"190125"	553.05016	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+2Na-H"	44.97116
"635885"	807.08966	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+2Na-H"	44.97116
"1131734"	299.01066	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2Na-H"	44.97116
"174660"	277.028718	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+2Na"	45.978436
"615314"	404.048468	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+2Na"	45.978436
"1118821"	150.008968	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2Na"	45.978436
"1405262"	100.341737333333	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H+2Na"	46.985712
"1430450"	301.052246	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H+HCOOH"	47.012746
"220874"	282.06174	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+3H2O+2H"	56.04448
"1510032"	315.10429	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+IsoProp+H"	61.06479
"410450"	285.015688	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+Na+K"	61.952376
"770472"	412.035438	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+Na+K"	61.952376
"1668865"	157.995938	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Na+K"	61.952376
"253566"	572.094768	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+ACN+Na"	64.015768
"1228101"	318.055268	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+ACN+Na"	64.015768
"1715525"	318.078793	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+NH4+HCOOH"	64.039293
"1189638"	107.669051333333	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+3Na"	68.967654
"1652241"	323.034188	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Na+HCOOH"	68.994688
"163114"	584.99804	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+2K-H"	76.91904
"604860"	839.03754	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+2K-H"	76.91904
"1091560"	330.95854	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2K-H"	76.91904
"144732"	293.002658	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"2M+2K"	77.926316
"587936"	420.022408	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"3M+2K"	77.926316
"1077914"	165.982908	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2K"	77.926316
"1110033"	332.973092	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2K+H"	78.933592
"1345320"	333.060707	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+DMSO+H"	79.021207
"1012761"	337.099876	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2ACN+H"	83.060376
"1530890"	338.093508	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+IsoProp+Na+H"	84.054008
"991871"	169.053576	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+2ACN+2H"	84.067652
"1594029"	339.008128	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+K+HCOOH"	84.968628
"1425157"	369.039638	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+H+CF3COOH"	115.000138
"1154352"	189.566851	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+3ACN+2H"	125.094202
"1703905"	386.066185	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+NH4+CF3COOH"	132.026685
"1641743"	391.02158	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+Na+CF3COOH"	136.98208
"1579582"	406.99552	"C08275"	"L-Djenkolic acid;Djenkolic acid"	"C7H14N2O4S2"	"254.0395"	"M+K+CF3COOH"	152.95602
"809948"	120.0245	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M"	0
"984581"	101.00611	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-H2O-H"	-19.01839
"73917"	79.0090573333333	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M-3H"	-3.021828
"513476"	119.017224	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M-3H"	-3.021828
"882530"	39.0008906666667	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-3H"	-3.021828
"5480"	119.017224	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M-2H"	-2.014552
"446133"	179.029474	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M-2H"	-2.014552
"817619"	59.004974	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-2H"	-2.014552
"82835"	239.041724	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M-H"	-1.007276
"519351"	359.066224	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M-H"	-1.007276
"896423"	119.017224	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-H"	-1.007276
"48491"	256.068271	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M-2H+NH4"	16.019271
"487317"	376.092771	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M-2H+NH4"	16.019271
"867557"	136.043771	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-2H+NH4"	16.019271
"31576"	261.023666	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M-2H+Na"	20.974666
"471859"	381.048166	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M-2H+Na"	20.974666
"857199"	140.999166	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-2H+Na"	20.974666
"1621263"	140.999166	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Na-2H"	20.974666
"98887"	137.005563	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M-H+Cl"	33.962126
"542821"	197.017813	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M-H+Cl"	33.962126
"931969"	76.993313	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-H+Cl"	33.962126
"279637"	275.018402	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+Cl"	34.969402
"665132"	395.042902	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+Cl"	34.969402
"1280817"	154.993902	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Cl"	34.969402
"23373"	276.997606	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M-2H+K"	36.948606
"465121"	397.022106	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M-2H+K"	36.948606
"837821"	156.973106	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-2H+K"	36.948606
"1564220"	156.973106	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+K-2H"	36.948606
"948825"	165.022694	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-H+HCOOH"	44.998194
"367768"	285.047201	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+HCOOH-H"	44.998201
"349467"	299.062851	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+Hac-H"	59.013851
"1496843"	179.038351	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Hac-H"	59.013851
"962928"	187.004651	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-H+NaCOOH"	66.980151
"117301"	154.993902	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+2Cl"	69.938804
"561967"	215.006152	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+2Cl"	69.938804
"1033320"	94.981652	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2Cl"	69.938804
"1255089"	198.943385	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Br"	78.918885
"1315347"	200.999372	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Cl+HCOOH"	80.974872
"1323005"	222.981329	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Cl+NaCOOH"	102.956829
"916248"	233.010086	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M-H+CF3COOH"	112.985586
"1299521"	268.986764	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Cl+CF3COOH"	148.962264
"1380840"	85.011824	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H-2H2O"	-35.012676
"1394083"	103.0218	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H-H2O"	-17.0027
"294865"	241.056276	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+H"	1.007276
"687287"	361.080776	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+H"	1.007276
"1355981"	121.031776	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H"	1.007276
"129964"	121.031776	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+2H"	2.014552
"568430"	181.044026	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+2H"	2.014552
"1040510"	61.019526	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2H"	2.014552
"211693"	81.0236093333333	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+3H"	3.021828
"654534"	121.031776	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+3H"	3.021828
"1168289"	41.0154426666667	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+3H"	3.021828
"427190"	258.082823	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+NH4"	18.033823
"786363"	378.107323	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+NH4"	18.033823
"1681596"	138.058323	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+NH4"	18.033823
"330237"	129.5450495	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+H+NH4"	19.041099
"725213"	189.5572995	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+H+NH4"	19.041099
"1488873"	69.5327995	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H+NH4"	19.041099
"402085"	263.038218	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+Na"	22.989218
"757979"	383.062718	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+Na"	22.989218
"1607900"	143.013718	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Na"	22.989218
"319031"	132.022747	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+H+Na"	23.996494
"715823"	192.034997	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+H+Na"	23.996494
"1471832"	72.010497	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H+Na"	23.996494
"1056695"	48.3427566666667	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2H+Na"	25.00377
"1264572"	153.057986	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+CH3OH+H"	33.033486
"379866"	279.012158	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+K"	38.963158
"740861"	399.036658	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+K"	38.963158
"1541455"	158.987658	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+K"	38.963158
"304464"	140.009717	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+H+K"	39.970434
"692514"	200.021967	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+H+K"	39.970434
"1448521"	79.997467	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H+K"	39.970434
"237486"	282.082826	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+ACN+H"	42.033826
"1212020"	162.058326	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+ACN+H"	42.033826
"1195175"	81.532801	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+ACN+2H"	43.041102
"188729"	285.02016	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+2Na-H"	44.97116
"637089"	405.04466	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+2Na-H"	44.97116
"1138407"	164.99566	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2Na-H"	44.97116
"176593"	143.013718	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+2Na"	45.978436
"616518"	203.025968	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+2Na"	45.978436
"1121119"	83.001468	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2Na"	45.978436
"1407196"	55.6700706666667	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H+2Na"	46.985712
"1436394"	167.037246	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H+HCOOH"	47.012746
"221349"	148.04674	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+3H2O+2H"	56.04448
"1510142"	181.08929	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+IsoProp+H"	61.06479
"413479"	151.000688	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+Na+K"	61.952376
"773378"	211.012938	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+Na+K"	61.952376
"1667520"	90.988438	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Na+K"	61.952376
"253312"	304.064768	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+ACN+Na"	64.015768
"1227479"	184.040268	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+ACN+Na"	64.015768
"1714543"	184.063793	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+NH4+HCOOH"	64.039293
"1182082"	62.9973846666667	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+3Na"	68.967654
"1658548"	189.019188	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Na+HCOOH"	68.994688
"161037"	316.96804	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+2K-H"	76.91904
"608252"	436.99254	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+2K-H"	76.91904
"1091672"	196.94354	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2K-H"	76.91904
"144479"	158.987658	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"2M+2K"	77.926316
"586952"	218.999908	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"3M+2K"	77.926316
"1075837"	98.975408	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2K"	77.926316
"1110143"	198.958092	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2K+H"	78.933592
"1344338"	199.045707	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+DMSO+H"	79.021207
"1013966"	203.084876	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2ACN+H"	83.060376
"1533190"	204.078508	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+IsoProp+Na+H"	84.054008
"996357"	102.046076	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+2ACN+2H"	84.067652
"1596326"	204.993128	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+K+HCOOH"	84.968628
"1424174"	235.024638	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+H+CF3COOH"	115.000138
"1158836"	122.559351	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+3ACN+2H"	125.094202
"1704015"	252.051185	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+NH4+CF3COOH"	132.026685
"1645134"	257.00658	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+Na+CF3COOH"	136.98208
"1586253"	272.98052	"C08276"	"3-(Methylthio)propanoate;3-(Methylthio)propionic acid;3-Methylthiopropionate"	"C4H8O2S"	"120.0245"	"M+K+CF3COOH"	152.95602
"804590"	202.1205	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M"	0
"989067"	183.10211	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-H2O-H"	-19.01839
"78380"	133.739724	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M-3H"	-3.021828
"515773"	201.113224	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M-3H"	-3.021828
"891391"	66.366224	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-3H"	-3.021828
"8871"	201.113224	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M-2H"	-2.014552
"446243"	302.173474	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M-2H"	-2.014552
"821861"	100.052974	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-2H"	-2.014552
"84039"	403.233724	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M-H"	-1.007276
"519216"	605.354224	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M-H"	-1.007276
"896409"	201.113224	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-H"	-1.007276
"48601"	420.260271	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M-2H+NH4"	16.019271
"488038"	622.380771	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M-2H+NH4"	16.019271
"865352"	218.139771	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-2H+NH4"	16.019271
"32158"	425.215666	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M-2H+Na"	20.974666
"472324"	627.336166	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M-2H+Na"	20.974666
"857308"	223.095166	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-2H+Na"	20.974666
"1622468"	223.095166	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Na-2H"	20.974666
"100090"	219.101563	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M-H+Cl"	33.962126
"538556"	320.161813	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M-H+Cl"	33.962126
"940588"	118.041313	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-H+Cl"	33.962126
"281941"	439.210402	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+Cl"	34.969402
"670711"	641.330902	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+Cl"	34.969402
"1285299"	237.089902	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Cl"	34.969402
"24577"	441.189606	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M-2H+K"	36.948606
"462678"	643.310106	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M-2H+K"	36.948606
"837566"	239.069106	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-2H+K"	36.948606
"1561780"	239.069106	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+K-2H"	36.948606
"949300"	247.118694	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-H+HCOOH"	44.998194
"368246"	449.239201	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+HCOOH-H"	44.998201
"349579"	463.254851	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+Hac-H"	59.013851
"1497683"	261.134351	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Hac-H"	59.013851
"972153"	269.100651	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-H+NaCOOH"	66.980151
"119236"	237.089902	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+2Cl"	69.938804
"565242"	338.150152	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+2Cl"	69.938804
"1035133"	136.029652	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2Cl"	69.938804
"1254105"	281.039385	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Br"	78.918885
"1312178"	283.095372	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Cl+HCOOH"	80.974872
"1335267"	305.077329	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Cl+NaCOOH"	102.956829
"917452"	315.106086	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M-H+CF3COOH"	112.985586
"1300723"	351.082764	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Cl+CF3COOH"	148.962264
"1380832"	167.107824	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H-2H2O"	-35.012676
"1392007"	185.1178	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H-H2O"	-17.0027
"296068"	405.248276	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+H"	1.007276
"690435"	607.368776	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+H"	1.007276
"1356092"	203.127776	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H"	1.007276
"130073"	203.127776	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+2H"	2.014552
"567810"	304.188026	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+2H"	2.014552
"1040251"	102.067526	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2H"	2.014552
"210709"	135.754276	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+3H"	3.021828
"650270"	203.127776	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+3H"	3.021828
"1173865"	68.380776	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+3H"	3.021828
"429486"	422.274823	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+NH4"	18.033823
"787565"	624.395323	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+NH4"	18.033823
"1683164"	220.154323	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+NH4"	18.033823
"332171"	211.6410495	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+H+NH4"	19.041099
"725688"	312.7012995	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+H+NH4"	19.041099
"1488983"	110.5807995	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H+NH4"	19.041099
"405111"	427.230218	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+Na"	22.989218
"759183"	629.350718	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+Na"	22.989218
"1608009"	225.109718	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Na"	22.989218
"318048"	214.118747	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+H+Na"	23.996494
"718121"	315.178997	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+H+Na"	23.996494
"1468663"	113.058497	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H+Na"	23.996494
"1056077"	75.70809	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2H+Na"	25.00377
"1261402"	235.153986	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+CH3OH+H"	33.033486
"382164"	443.204158	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+K"	38.963158
"744254"	645.324658	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+K"	38.963158
"1545212"	241.083658	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+K"	38.963158
"302387"	222.105717	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+H+K"	39.970434
"692257"	323.165967	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+H+K"	39.970434
"1446078"	121.045467	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H+K"	39.970434
"238327"	446.274826	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+ACN+H"	42.033826
"1210672"	244.154326	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+ACN+H"	42.033826
"1195526"	122.580801	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+ACN+2H"	43.041102
"190345"	449.21216	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+2Na-H"	44.97116
"633552"	651.33266	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+2Na-H"	44.97116
"1134870"	247.09166	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2Na-H"	44.97116
"173539"	225.109718	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+2Na"	45.978436
"618450"	326.169968	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+2Na"	45.978436
"1123781"	124.049468	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2Na"	45.978436
"1409494"	83.035404	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H+2Na"	46.985712
"1433952"	249.133246	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H+HCOOH"	47.012746
"220970"	230.14274	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+3H2O+2H"	56.04448
"1509643"	263.18529	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+IsoProp+H"	61.06479
"413589"	233.096688	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+Na+K"	61.952376
"774583"	334.156938	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+Na+K"	61.952376
"1667266"	132.036438	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Na+K"	61.952376
"254152"	468.256768	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+ACN+Na"	64.015768
"1229050"	266.136268	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+ACN+Na"	64.015768
"1716840"	266.159793	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+NH4+HCOOH"	64.039293
"1181464"	90.362718	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+3Na"	68.967654
"1660845"	271.115188	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Na+HCOOH"	68.994688
"166617"	481.16004	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+2K-H"	76.91904
"607271"	683.28054	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+2K-H"	76.91904
"1092875"	279.03954	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2K-H"	76.91904
"145318"	241.083658	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"2M+2K"	77.926316
"585969"	342.143908	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"3M+2K"	77.926316
"1072668"	140.023408	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2K"	77.926316
"1110253"	281.054092	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2K+H"	78.933592
"1342262"	281.141707	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+DMSO+H"	79.021207
"1012983"	285.180876	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2ACN+H"	83.060376
"1536947"	286.174508	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+IsoProp+Na+H"	84.054008
"997558"	143.094076	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+2ACN+2H"	84.067652
"1595343"	287.089128	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+K+HCOOH"	84.968628
"1424284"	317.120638	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+H+CF3COOH"	115.000138
"1158946"	163.607351	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+3ACN+2H"	125.094202
"1704125"	334.147185	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+NH4+CF3COOH"	132.026685
"1645244"	339.10258	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+Na+CF3COOH"	136.98208
"1586363"	355.07652	"C08277"	"Sebacic acid;Decanedioic acid"	"C10H18O4"	"202.1205"	"M+K+CF3COOH"	152.95602
"803607"	174.0892	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M"	0
"984800"	155.07081	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-H2O-H"	-19.01839
"71949"	115.052190666667	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M-3H"	-3.021828
"508228"	173.081924	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M-3H"	-3.021828
"891501"	57.0224573333333	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-3H"	-3.021828
"8981"	173.081924	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M-2H"	-2.014552
"443074"	260.126524	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M-2H"	-2.014552
"820878"	86.037324	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-2H"	-2.014552
"80869"	347.171124	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M-H"	-1.007276
"519077"	521.260324	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M-H"	-1.007276
"895993"	173.081924	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-H"	-1.007276
"47494"	364.197671	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M-2H+NH4"	16.019271
"487419"	538.286871	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M-2H+NH4"	16.019271
"866196"	190.108471	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-2H+NH4"	16.019271
"33246"	369.153066	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M-2H+Na"	20.974666
"473415"	543.242266	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M-2H+Na"	20.974666
"851950"	195.063866	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-2H+Na"	20.974666
"1623673"	195.063866	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Na-2H"	20.974666
"99107"	191.070263	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M-H+Cl"	33.962126
"537573"	278.114863	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M-H+Cl"	33.962126
"940575"	104.025663	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-H+Cl"	33.962126
"281930"	383.147802	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+Cl"	34.969402
"674101"	557.237002	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+Cl"	34.969402
"1286503"	209.058602	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Cl"	34.969402
"24687"	385.127006	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M-2H+K"	36.948606
"464246"	559.216206	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M-2H+K"	36.948606
"837676"	211.037806	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-2H+K"	36.948606
"1563350"	211.037806	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+K-2H"	36.948606
"947955"	219.087394	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-H+HCOOH"	44.998194
"367264"	393.176601	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+HCOOH-H"	44.998201
"348961"	407.192251	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+Hac-H"	59.013851
"1496700"	233.103051	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Hac-H"	59.013851
"966430"	241.069351	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-H+NaCOOH"	66.980151
"123965"	209.058602	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+2Cl"	69.938804
"564379"	296.103202	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+2Cl"	69.938804
"1036625"	122.014002	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2Cl"	69.938804
"1256645"	253.008085	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Br"	78.918885
"1318848"	255.064072	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Cl+HCOOH"	80.974872
"1335384"	277.046029	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Cl+NaCOOH"	102.956829
"916834"	287.074786	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M-H+CF3COOH"	112.985586
"1298647"	323.051464	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Cl+CF3COOH"	148.962264
"1374623"	139.076524	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H-2H2O"	-35.012676
"1395400"	157.0865	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H-H2O"	-17.0027
"297274"	349.185676	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+H"	1.007276
"687508"	523.274876	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+H"	1.007276
"1357659"	175.096476	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H"	1.007276
"129089"	175.096476	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+2H"	2.014552
"567920"	262.141076	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+2H"	2.014552
"1046199"	88.051876	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2H"	2.014552
"215194"	117.066742666667	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+3H"	3.021828
"655849"	175.096476	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+3H"	3.021828
"1173974"	59.0370093333333	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+3H"	3.021828
"435059"	366.212223	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+NH4"	18.033823
"793871"	540.301423	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+NH4"	18.033823
"1683031"	192.123023	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+NH4"	18.033823
"330943"	183.6097495	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+H+NH4"	19.041099
"724458"	270.6543495	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+H+NH4"	19.041099
"1481439"	96.5651495	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H+NH4"	19.041099
"402305"	371.167618	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+Na"	22.989218
"757106"	545.256818	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+Na"	22.989218
"1605203"	197.078418	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Na"	22.989218
"315971"	186.087447	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+H+Na"	23.996494
"713860"	273.132047	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+H+Na"	23.996494
"1470961"	99.042847	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H+Na"	23.996494
"1054850"	66.3643233333333	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2H+Na"	25.00377
"1260420"	207.122686	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+CH3OH+H"	33.033486
"378992"	387.141558	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+K"	38.963158
"739622"	561.230758	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+K"	38.963158
"1540948"	213.052358	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+K"	38.963158
"300306"	194.074417	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+H+K"	39.970434
"691840"	281.119017	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+H+K"	39.970434
"1446677"	107.029817	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H+K"	39.970434
"238440"	390.212226	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+ACN+H"	42.033826
"1210010"	216.123026	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+ACN+H"	42.033826
"1197585"	108.565151	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+ACN+2H"	43.041102
"189970"	393.14956	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+2Na-H"	44.97116
"632568"	567.23876	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+2Na-H"	44.97116
"1137168"	219.06036	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2Na-H"	44.97116
"181918"	197.078418	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+2Na"	45.978436
"618925"	284.123018	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+2Na"	45.978436
"1124620"	110.033818	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2Na"	45.978436
"1405227"	73.6916373333333	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H+2Na"	46.985712
"1431875"	221.101946	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H+HCOOH"	47.012746
"220957"	202.11144	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+3H2O+2H"	56.04448
"1509632"	235.15399	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+IsoProp+H"	61.06479
"423054"	205.065388	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+Na+K"	61.952376
"777975"	292.109988	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+Na+K"	61.952376
"1674304"	118.020788	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Na+K"	61.952376
"254626"	412.194168	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+ACN+Na"	64.015768
"1227700"	238.104968	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+ACN+Na"	64.015768
"1715491"	238.128493	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+NH4+HCOOH"	64.039293
"1182306"	81.0189513333333	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+3Na"	68.967654
"1663143"	243.083888	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Na+HCOOH"	68.994688
"162349"	425.09744	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+2K-H"	76.91904
"609203"	599.18664	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+2K-H"	76.91904
"1089705"	251.00824	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2K-H"	76.91904
"147615"	213.052358	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"2M+2K"	77.926316
"593737"	300.096958	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"3M+2K"	77.926316
"1078247"	126.007758	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2K"	77.926316
"1110363"	253.022792	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2K+H"	78.933592
"1344559"	253.110407	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+DMSO+H"	79.021207
"1019664"	257.149576	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2ACN+H"	83.060376
"1537057"	258.143208	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+IsoProp+Na+H"	84.054008
"1000950"	129.078426	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+2ACN+2H"	84.067652
"1595453"	259.057828	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+K+HCOOH"	84.968628
"1427674"	289.089338	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+H+CF3COOH"	115.000138
"1159057"	149.591701	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+3ACN+2H"	125.094202
"1703139"	306.115885	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+NH4+CF3COOH"	132.026685
"1645351"	311.07128	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+Na+CF3COOH"	136.98208
"1586473"	327.04522	"C08278"	"Suberic acid;Cork acid;18-Octanedioic acid;Octanedioic acid;16-Hexanedicarboxylic acid"	"C8H14O4"	"174.0892"	"M+K+CF3COOH"	152.95602
"816927"	100.0524	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M"	0
"989776"	81.03401	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-H2O-H"	-19.01839
"77406"	65.694324	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M-3H"	-3.021828
"515993"	99.045124	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M-3H"	-3.021828
"891612"	32.343524	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-3H"	-3.021828
"9092"	99.045124	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M-2H"	-2.014552
"448652"	149.071324	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M-2H"	-2.014552
"824266"	49.018924	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-2H"	-2.014552
"83168"	199.097524	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M-H"	-1.007276
"520903"	299.149924	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M-H"	-1.007276
"900526"	99.045124	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-H"	-1.007276
"48341"	216.124071	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M-2H+NH4"	16.019271
"494462"	316.176471	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M-2H+NH4"	16.019271
"870078"	116.071671	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-2H+NH4"	16.019271
"32510"	221.079466	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M-2H+Na"	20.974666
"476447"	321.131866	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M-2H+Na"	20.974666
"856438"	121.027066	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-2H+Na"	20.974666
"1622690"	121.027066	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Na-2H"	20.974666
"98124"	117.033463	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M-H+Cl"	33.962126
"545341"	167.059663	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M-H+Cl"	33.962126
"942439"	67.007263	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-H+Cl"	33.962126
"280698"	235.074202	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+Cl"	34.969402
"674822"	335.126602	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+Cl"	34.969402
"1285160"	135.021802	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Cl"	34.969402
"23708"	237.053406	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M-2H+K"	36.948606
"464360"	337.105806	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M-2H+K"	36.948606
"836694"	137.001006	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-2H+K"	36.948606
"1568568"	137.001006	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+K-2H"	36.948606
"954992"	145.050594	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-H+HCOOH"	44.998194
"367376"	245.103001	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+HCOOH-H"	44.998201
"361102"	259.118651	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+Hac-H"	59.013851
"1507997"	159.066251	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Hac-H"	59.013851
"972379"	167.032551	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-H+NaCOOH"	66.980151
"120918"	135.021802	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+2Cl"	69.938804
"564489"	185.048002	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+2Cl"	69.938804
"1034745"	84.995602	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2Cl"	69.938804
"1254325"	178.971285	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Br"	78.918885
"1316408"	181.027272	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Cl+HCOOH"	80.974872
"1335002"	203.009229	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Cl+NaCOOH"	102.956829
"924238"	213.037986	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M-H+CF3COOH"	112.985586
"1298759"	249.014664	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Cl+CF3COOH"	148.962264
"1378015"	65.039724	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H-2H2O"	-35.012676
"1393324"	83.0497	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H-H2O"	-17.0027
"293011"	201.112076	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+H"	1.007276
"683244"	301.164476	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+H"	1.007276
"1354125"	101.059676	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H"	1.007276
"140868"	101.059676	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+2H"	2.014552
"579699"	151.085876	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+2H"	2.014552
"1051781"	51.033476	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2H"	2.014552
"217492"	67.708876	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+3H"	3.021828
"651588"	101.059676	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+3H"	3.021828
"1168983"	34.358076	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+3H"	3.021828
"428248"	218.138623	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+NH4"	18.033823
"787056"	318.191023	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+NH4"	18.033823
"1681805"	118.086223	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+NH4"	18.033823
"330690"	109.5729495	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+H+NH4"	19.041099
"723719"	159.5991495	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+H+NH4"	19.041099
"1478634"	59.5467495	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H+NH4"	19.041099
"396955"	223.094018	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+Na"	22.989218
"760138"	323.146418	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+Na"	22.989218
"1608235"	123.041618	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Na"	22.989218
"316809"	112.050647	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+H+Na"	23.996494
"711056"	162.076847	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+H+Na"	23.996494
"1463783"	62.024447	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H+Na"	23.996494
"1059945"	41.68539	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2H+Na"	25.00377
"1258096"	133.085886	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+CH3OH+H"	33.033486
"378252"	239.067958	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+K"	38.963158
"740098"	339.120358	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+K"	38.963158
"1540812"	139.015558	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+K"	38.963158
"299696"	120.037617	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+H+K"	39.970434
"692235"	170.063817	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+H+K"	39.970434
"1448857"	70.011417	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H+K"	39.970434
"240740"	242.138626	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+ACN+H"	42.033826
"1218920"	142.086226	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+ACN+H"	42.033826
"1206083"	71.546751	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+ACN+2H"	43.041102
"198954"	245.07596	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+2Na-H"	44.97116
"639606"	345.12836	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+2Na-H"	44.97116
"1140928"	145.02356	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2Na-H"	44.97116
"183125"	123.041618	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+2Na"	45.978436
"620134"	173.067818	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+2Na"	45.978436
"1125099"	73.015418	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2Na"	45.978436
"1406067"	49.012704	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H+2Na"	46.985712
"1436362"	147.065146	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H+HCOOH"	47.012746
"223140"	128.07464	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+3H2O+2H"	56.04448
"1521414"	161.11719	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+IsoProp+H"	61.06479
"420371"	131.028588	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+Na+K"	61.952376
"778083"	181.054788	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+Na+K"	61.952376
"1668948"	81.002388	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Na+K"	61.952376
"254374"	264.120568	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+ACN+Na"	64.015768
"1228175"	164.068168	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+ACN+Na"	64.015768
"1714147"	164.091693	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+NH4+HCOOH"	64.039293
"1190078"	56.340018	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+3Na"	68.967654
"1659972"	169.047088	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Na+HCOOH"	68.994688
"166835"	277.02384	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+2K-H"	76.91904
"605303"	377.07624	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+2K-H"	76.91904
"1093097"	176.97144	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2K-H"	76.91904
"154293"	139.015558	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"2M+2K"	77.926316
"595311"	189.041758	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"3M+2K"	77.926316
"1080182"	88.989358	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2K"	77.926316
"1111566"	178.985992	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2K+H"	78.933592
"1350146"	179.073607	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+DMSO+H"	79.021207
"1020500"	183.112776	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2ACN+H"	83.060376
"1539354"	184.106408	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+IsoProp+Na+H"	84.054008
"1003981"	92.060026	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+2ACN+2H"	84.067652
"1601765"	185.021028	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+K+HCOOH"	84.968628
"1429737"	215.052538	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+H+CF3COOH"	115.000138
"1153701"	112.573301	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+3ACN+2H"	125.094202
"1702158"	232.079085	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+NH4+CF3COOH"	132.026685
"1642186"	237.03448	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+Na+CF3COOH"	136.98208
"1576743"	253.00842	"C08279"	"Tiglic acid;(E)-23-Dimethylacrylic acid"	"C5H8O2"	"100.0524"	"M+K+CF3COOH"	152.95602
"803827"	270.1216	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M"	0
"980641"	251.10321	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-H2O-H"	-19.01839
"77151"	179.073790666667	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M-3H"	-3.021828
"515009"	269.114324	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M-3H"	-3.021828
"885156"	89.0332573333333	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-3H"	-3.021828
"7015"	269.114324	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M-2H"	-2.014552
"448762"	404.175124	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M-2H"	-2.014552
"824376"	134.053524	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-2H"	-2.014552
"83278"	539.235924	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M-H"	-1.007276
"521742"	809.357524	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M-H"	-1.007276
"896867"	269.114324	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-H"	-1.007276
"49544"	556.262471	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M-2H+NH4"	16.019271
"492385"	826.384071	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M-2H+NH4"	16.019271
"867272"	286.140871	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-2H+NH4"	16.019271
"33350"	561.217866	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M-2H+Na"	20.974666
"472546"	831.339466	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M-2H+Na"	20.974666
"854360"	291.096266	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-2H+Na"	20.974666
"1621705"	291.096266	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Na-2H"	20.974666
"96047"	287.102663	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M-H+Cl"	33.962126
"545451"	422.163463	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M-H+Cl"	33.962126
"942342"	152.041863	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-H+Cl"	33.962126
"280444"	575.212602	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+Cl"	34.969402
"673837"	845.334202	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+Cl"	34.969402
"1285634"	305.091002	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Cl"	34.969402
"21631"	577.191806	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M-2H+K"	36.948606
"464470"	847.313406	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M-2H+K"	36.948606
"836807"	307.070206	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-2H+K"	36.948606
"1569772"	307.070206	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+K-2H"	36.948606
"949270"	315.119794	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-H+HCOOH"	44.998194
"371497"	585.241401	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+HCOOH-H"	44.998201
"358296"	599.257051	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+Hac-H"	59.013851
"1508186"	329.135451	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Hac-H"	59.013851
"973700"	337.101751	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-H+NaCOOH"	66.980151
"121756"	305.091002	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+2Cl"	69.938804
"565085"	440.151802	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+2Cl"	69.938804
"1031575"	170.030202	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2Cl"	69.938804
"1256939"	349.040485	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Br"	78.918885
"1316882"	351.096472	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Cl+HCOOH"	80.974872
"1333652"	373.078429	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Cl+NaCOOH"	102.956829
"925075"	383.107186	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M-H+CF3COOH"	112.985586
"1298869"	419.083864	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Cl+CF3COOH"	148.962264
"1378125"	235.108924	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H-2H2O"	-35.012676
"1394527"	253.1189	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H-H2O"	-17.0027
"294214"	541.250476	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+H"	1.007276
"686635"	811.372076	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+H"	1.007276
"1355328"	271.128876	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H"	1.007276
"140978"	271.128876	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+2H"	2.014552
"580786"	406.189676	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+2H"	2.014552
"1051406"	136.068076	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2H"	2.014552
"216510"	181.088342666667	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+3H"	3.021828
"651698"	271.128876	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+3H"	3.021828
"1172010"	91.0478093333333	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+3H"	3.021828
"430180"	558.277023	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+NH4"	18.033823
"791178"	828.398623	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+NH4"	18.033823
"1683497"	288.155423	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+NH4"	18.033823
"331408"	279.6421495	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+H+NH4"	19.041099
"723343"	414.7029495	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+H+NH4"	19.041099
"1478382"	144.5813495	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H+NH4"	19.041099
"399252"	563.232418	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+Na"	22.989218
"759155"	833.354018	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+Na"	22.989218
"1608345"	293.110818	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Na"	22.989218
"315829"	282.119847	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+H+Na"	23.996494
"709102"	417.180647	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+H+Na"	23.996494
"1463525"	147.059047	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H+Na"	23.996494
"1057869"	98.3751233333333	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2H+Na"	25.00377
"1259544"	303.155086	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+CH3OH+H"	33.033486
"378726"	579.206358	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+K"	38.963158
"740208"	849.327958	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+K"	38.963158
"1540803"	309.084758	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+K"	38.963158
"298752"	290.106817	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+H+K"	39.970434
"691901"	425.167617	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+H+K"	39.970434
"1450060"	155.046017	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H+K"	39.970434
"241943"	582.277026	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+ACN+H"	42.033826
"1216841"	312.155426	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+ACN+H"	42.033826
"1202913"	156.581351	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+ACN+2H"	43.041102
"197971"	585.21436	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+2Na-H"	44.97116
"637164"	855.33596	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+2Na-H"	44.97116
"1140307"	315.09276	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2Na-H"	44.97116
"182139"	293.110818	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+2Na"	45.978436
"619516"	428.171618	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+2Na"	45.978436
"1121561"	158.050018	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2Na"	45.978436
"1404357"	105.702437333333	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H+2Na"	46.985712
"1436472"	317.134346	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H+HCOOH"	47.012746
"223613"	298.14384	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+3H2O+2H"	56.04448
"1521888"	331.18639	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+IsoProp+H"	61.06479
"421574"	301.097788	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+Na+K"	61.952376
"778193"	436.158588	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+Na+K"	61.952376
"1670152"	166.036988	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Na+K"	61.952376
"254484"	604.258968	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+ACN+Na"	64.015768
"1225853"	334.137368	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+ACN+Na"	64.015768
"1716081"	334.160893	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+NH4+HCOOH"	64.039293
"1186908"	113.029751333333	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+3Na"	68.967654
"1654614"	339.116288	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Na+HCOOH"	68.994688
"163663"	617.16224	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+2K-H"	76.91904
"608327"	887.28384	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+2K-H"	76.91904
"1093207"	347.04064	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2K-H"	76.91904
"154763"	309.084758	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"2M+2K"	77.926316
"596269"	444.145558	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"3M+2K"	77.926316
"1080292"	174.023958	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2K"	77.926316
"1112774"	349.055192	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2K+H"	78.933592
"1349160"	349.142807	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+DMSO+H"	79.021207
"1014408"	353.181976	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2ACN+H"	83.060376
"1538733"	354.175608	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+IsoProp+Na+H"	84.054008
"1002266"	177.094626	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+2ACN+2H"	84.067652
"1601750"	355.090228	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+K+HCOOH"	84.968628
"1425707"	385.121738	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+H+CF3COOH"	115.000138
"1162522"	197.607901	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+3ACN+2H"	125.094202
"1704455"	402.148285	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+NH4+CF3COOH"	132.026685
"1642296"	407.10368	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+Na+CF3COOH"	136.98208
"1576853"	423.07762	"C08280"	"Hypoglycin B;Hypoglycine B;L-gamma-Glutamyl-L-hypoglycin"	"C12H18N2O5"	"270.1216"	"M+K+CF3COOH"	152.95602
"803937"	340.3341	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M"	0
"980751"	321.31571	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-H2O-H"	-19.01839
"76653"	225.882124	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M-3H"	-3.021828
"515119"	339.326824	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M-3H"	-3.021828
"885266"	112.437424	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-3H"	-3.021828
"7125"	339.326824	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M-2H"	-2.014552
"448872"	509.493874	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M-2H"	-2.014552
"824486"	169.159774	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-2H"	-2.014552
"85574"	679.660924	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M-H"	-1.007276
"518716"	1019.995024	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M-H"	-1.007276
"896125"	339.326824	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-H"	-1.007276
"50747"	696.687471	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M-2H+NH4"	16.019271
"491401"	1037.021571	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M-2H+NH4"	16.019271
"874671"	356.353371	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-2H+NH4"	16.019271
"32488"	701.642866	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M-2H+Na"	20.974666
"471639"	1041.976966	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M-2H+Na"	20.974666
"850093"	361.308766	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-2H+Na"	20.974666
"1621814"	361.308766	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Na-2H"	20.974666
"99435"	357.315163	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M-H+Cl"	33.962126
"542279"	527.482213	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M-H+Cl"	33.962126
"942706"	187.148113	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-H+Cl"	33.962126
"281286"	715.637602	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+Cl"	34.969402
"672733"	1055.971702	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+Cl"	34.969402
"1284287"	375.303502	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Cl"	34.969402
"21741"	717.616806	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M-2H+K"	36.948606
"464580"	1057.950906	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M-2H+K"	36.948606
"834730"	377.282706	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-2H+K"	36.948606
"1565873"	377.282706	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+K-2H"	36.948606
"948287"	385.332294	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-H+HCOOH"	44.998194
"372336"	725.666401	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+HCOOH-H"	44.998201
"357313"	739.682051	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+Hac-H"	59.013851
"1506146"	399.347951	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Hac-H"	59.013851
"970044"	407.314251	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-H+NaCOOH"	66.980151
"120773"	375.303502	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+2Cl"	69.938804
"564223"	545.470552	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+2Cl"	69.938804
"1031685"	205.136452	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2Cl"	69.938804
"1256611"	419.252985	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Br"	78.918885
"1316264"	421.308972	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Cl+HCOOH"	80.974872
"1333762"	443.290929	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Cl+NaCOOH"	102.956829
"925185"	453.319686	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M-H+CF3COOH"	112.985586
"1298979"	489.296364	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Cl+CF3COOH"	148.962264
"1374955"	305.321424	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H-2H2O"	-35.012676
"1393544"	323.3314	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H-H2O"	-17.0027
"295417"	681.675476	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+H"	1.007276
"686745"	1022.009576	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+H"	1.007276
"1357624"	341.341376	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H"	1.007276
"132703"	341.341376	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+2H"	2.014552
"575544"	511.508426	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+2H"	2.014552
"1050904"	171.174326	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2H"	2.014552
"217713"	227.896676	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+3H"	3.021828
"649619"	341.341376	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+3H"	3.021828
"1174306"	114.451976	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+3H"	3.021828
"431383"	698.702023	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+NH4"	18.033823
"789100"	1039.036123	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+NH4"	18.033823
"1683243"	358.367923	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+NH4"	18.033823
"331154"	349.8546495	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+H+NH4"	19.041099
"723940"	520.0216995	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+H+NH4"	19.041099
"1478855"	179.6875995	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H+NH4"	19.041099
"396444"	703.657418	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+Na"	22.989218
"759265"	1043.991518	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+Na"	22.989218
"1608455"	363.323318	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Na"	22.989218
"316668"	352.332347	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+H+Na"	23.996494
"710183"	522.499397	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+H+Na"	23.996494
"1463150"	182.165297	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H+Na"	23.996494
"1055427"	121.77929	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2H+Na"	25.00377
"1259654"	373.367586	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+CH3OH+H"	33.033486
"378592"	719.631358	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+K"	38.963158
"741774"	1059.965458	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+K"	38.963158
"1540547"	379.297258	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+K"	38.963158
"299181"	360.319317	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+H+K"	39.970434
"691459"	530.486367	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+H+K"	39.970434
"1445833"	190.152267	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H+K"	39.970434
"236949"	722.702026	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+ACN+H"	42.033826
"1211846"	382.367926	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+ACN+H"	42.033826
"1196458"	191.687601	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+ACN+2H"	43.041102
"192245"	725.63936	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+2Na-H"	44.97116
"629984"	1065.97346	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+2Na-H"	44.97116
"1136042"	385.30526	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2Na-H"	44.97116
"174958"	363.323318	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+2Na"	45.978436
"618530"	533.490368	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+2Na"	45.978436
"1119118"	193.156268	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2Na"	45.978436
"1402642"	129.106604	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H+2Na"	46.985712
"1434758"	387.346846	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H+HCOOH"	47.012746
"220358"	368.35634	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+3H2O+2H"	56.04448
"1517624"	401.39889	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+IsoProp+H"	61.06479
"418403"	371.310288	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+Na+K"	61.952376
"778303"	541.477338	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+Na+K"	61.952376
"1671355"	201.143238	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Na+K"	61.952376
"253501"	744.683968	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+ACN+Na"	64.015768
"1226207"	404.349868	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+ACN+Na"	64.015768
"1717284"	404.373393	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+NH4+HCOOH"	64.039293
"1185559"	136.433918	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+3Na"	68.967654
"1655817"	409.328788	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Na+HCOOH"	68.994688
"162314"	757.58724	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+2K-H"	76.91904
"605520"	1097.92134	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+2K-H"	76.91904
"1092952"	417.25314	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2K-H"	76.91904
"152685"	379.297258	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"2M+2K"	77.926316
"594798"	549.464308	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"3M+2K"	77.926316
"1076392"	209.130208	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2K"	77.926316
"1112884"	419.267692	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2K+H"	78.933592
"1347448"	419.355307	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+DMSO+H"	79.021207
"1014518"	423.394476	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2ACN+H"	83.060376
"1538843"	424.388108	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+IsoProp+Na+H"	84.054008
"1004562"	212.200876	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+2ACN+2H"	84.067652
"1601860"	425.302728	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+K+HCOOH"	84.968628
"1424724"	455.334238	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+H+CF3COOH"	115.000138
"1162307"	232.714151	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+3ACN+2H"	125.094202
"1704565"	472.360785	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+NH4+CF3COOH"	132.026685
"1642406"	477.31618	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+Na+CF3COOH"	136.98208
"1576963"	493.29012	"C08281"	"Docosanoic acid;Docosanoate;Behenic acid"	"C22H44O2"	"340.3341"	"M+K+CF3COOH"	152.95602
"816982"	280.2402	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M"	0
"989758"	261.22181	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-H2O-H"	-19.01839
"78486"	185.819524	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M-3H"	-3.021828
"516323"	279.232924	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M-3H"	-3.021828
"882461"	92.406124	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-3H"	-3.021828
"6143"	279.232924	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M-2H"	-2.014552
"450075"	419.353024	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M-2H"	-2.014552
"827877"	139.112824	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-2H"	-2.014552
"83498"	559.473124	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M-H"	-1.007276
"522326"	839.713324	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M-H"	-1.007276
"903044"	279.232924	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-H"	-1.007276
"51952"	576.499671	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M-2H+NH4"	16.019271
"489689"	856.739871	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M-2H+NH4"	16.019271
"866761"	296.259471	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-2H+NH4"	16.019271
"33206"	581.455066	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M-2H+Na"	20.974666
"473497"	861.695266	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M-2H+Na"	20.974666
"852392"	301.214866	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-2H+Na"	20.974666
"1621924"	301.214866	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Na-2H"	20.974666
"99545"	297.221263	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M-H+Cl"	33.962126
"539110"	437.341363	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M-H+Cl"	33.962126
"941632"	157.101163	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-H+Cl"	33.962126
"281523"	595.449802	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+Cl"	34.969402
"672356"	875.690002	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+Cl"	34.969402
"1285854"	315.209602	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Cl"	34.969402
"24038"	597.429006	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M-2H+K"	36.948606
"464693"	877.669206	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M-2H+K"	36.948606
"843589"	317.188806	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-2H+K"	36.948606
"1564891"	317.188806	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+K-2H"	36.948606
"953867"	325.238394	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-H+HCOOH"	44.998194
"373176"	605.478601	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+HCOOH-H"	44.998201
"358883"	619.494251	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+Hac-H"	59.013851
"1502613"	339.254051	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Hac-H"	59.013851
"971247"	347.220351	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-H+NaCOOH"	66.980151
"123435"	315.209602	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+2Cl"	69.938804
"562996"	455.329702	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+2Cl"	69.938804
"1030704"	175.089502	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2Cl"	69.938804
"1256722"	359.159085	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Br"	78.918885
"1317102"	361.215072	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Cl+HCOOH"	80.974872
"1331320"	383.197029	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Cl+NaCOOH"	102.956829
"926391"	393.225786	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M-H+CF3COOH"	112.985586
"1297997"	429.202464	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Cl+CF3COOH"	148.962264
"1375065"	245.227524	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H-2H2O"	-35.012676
"1393656"	263.2375	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H-H2O"	-17.0027
"296621"	561.487676	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+H"	1.007276
"685763"	841.727876	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+H"	1.007276
"1355551"	281.247476	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H"	1.007276
"132814"	281.247476	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+2H"	2.014552
"579787"	421.367576	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+2H"	2.014552
"1048832"	141.127376	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2H"	2.014552
"214546"	187.834076	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+3H"	3.021828
"649729"	281.247476	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+3H"	3.021828
"1176603"	94.420676	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+3H"	3.021828
"431132"	578.514223	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+NH4"	18.033823
"787387"	858.754423	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+NH4"	18.033823
"1683718"	298.274023	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+NH4"	18.033823
"331995"	289.7607495	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+H+NH4"	19.041099
"724782"	429.8808495	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+H+NH4"	19.041099
"1478966"	149.6406495	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H+NH4"	19.041099
"394733"	583.469618	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+Na"	22.989218
"760468"	863.709818	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+Na"	22.989218
"1608565"	303.229418	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Na"	22.989218
"316049"	292.238447	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+H+Na"	23.996494
"710293"	432.358547	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+H+Na"	23.996494
"1464113"	152.118347	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H+Na"	23.996494
"1063556"	101.74799	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2H+Na"	25.00377
"1260858"	313.273686	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+CH3OH+H"	33.033486
"379433"	599.443558	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+K"	38.963158
"738967"	879.683758	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+K"	38.963158
"1540660"	319.203358	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+K"	38.963158
"298928"	300.225417	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+H+K"	39.970434
"692443"	440.345517	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+H+K"	39.970434
"1446268"	160.105317	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H+K"	39.970434
"235839"	602.514226	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+ACN+H"	42.033826
"1213049"	322.274026	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+ACN+H"	42.033826
"1199485"	161.640651	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+ACN+2H"	43.041102
"198189"	605.45156	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+2Na-H"	44.97116
"635198"	885.69176	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+2Na-H"	44.97116
"1136153"	325.21136	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2Na-H"	44.97116
"176162"	303.229418	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+2Na"	45.978436
"619004"	443.349518	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+2Na"	45.978436
"1119228"	163.109318	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2Na"	45.978436
"1404576"	109.075304	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H+2Na"	46.985712
"1434504"	327.252946	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H+HCOOH"	47.012746
"220917"	308.26244	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+3H2O+2H"	56.04448
"1515547"	341.30499	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+IsoProp+H"	61.06479
"417419"	311.216388	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+Na+K"	61.952376
"772945"	451.336488	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+Na+K"	61.952376
"1672557"	171.096288	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Na+K"	61.952376
"253609"	624.496168	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+ACN+Na"	64.015768
"1225952"	344.255968	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+ACN+Na"	64.015768
"1716301"	344.279493	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+NH4+HCOOH"	64.039293
"1188224"	116.402618	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+3Na"	68.967654
"1654833"	349.234888	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Na+HCOOH"	68.994688
"167162"	637.39944	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+2K-H"	76.91904
"610006"	917.63964	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+2K-H"	76.91904
"1093424"	357.15924	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2K-H"	76.91904
"152793"	319.203358	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"2M+2K"	77.926316
"593083"	459.323458	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"3M+2K"	77.926316
"1074314"	179.083258	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2K"	77.926316
"1108616"	359.173792	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2K+H"	78.933592
"1349017"	359.261407	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+DMSO+H"	79.021207
"1017544"	363.300576	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2ACN+H"	83.060376
"1538223"	364.294208	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+IsoProp+Na+H"	84.054008
"997019"	182.153926	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+2ACN+2H"	84.067652
"1599175"	365.208828	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+K+HCOOH"	84.968628
"1427022"	395.240338	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+H+CF3COOH"	115.000138
"1162694"	202.667201	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+3ACN+2H"	125.094202
"1711238"	412.266885	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+NH4+CF3COOH"	132.026685
"1642516"	417.22228	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+Na+CF3COOH"	136.98208
"1577073"	433.19622	"C08282"	"Chaulmoogric acid"	"C18H32O2"	"280.2402"	"M+K+CF3COOH"	152.95602
"807437"	157.1103	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M"	0
"987903"	138.09191	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-H2O-H"	-19.01839
"77602"	103.732924	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M-3H"	-3.021828
"516434"	156.103024	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M-3H"	-3.021828
"882571"	51.362824	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-3H"	-3.021828
"6253"	156.103024	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M-2H"	-2.014552
"449821"	234.658174	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M-2H"	-2.014552
"827623"	77.547874	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-2H"	-2.014552
"84701"	313.213324	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M-H"	-1.007276
"521707"	470.323624	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M-H"	-1.007276
"902062"	156.103024	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-H"	-1.007276
"49876"	330.239871	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M-2H+NH4"	16.019271
"491623"	487.350171	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M-2H+NH4"	16.019271
"869425"	173.129571	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-2H+NH4"	16.019271
"34044"	335.195266	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M-2H+Na"	20.974666
"473849"	492.305566	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M-2H+Na"	20.974666
"852502"	178.084966	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-2H+Na"	20.974666
"1622034"	178.084966	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Na-2H"	20.974666
"98562"	174.091363	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M-H+Cl"	33.962126
"536057"	252.646513	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M-H+Cl"	33.962126
"940391"	95.536213	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-H+Cl"	33.962126
"281018"	349.190002	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+Cl"	34.969402
"670280"	506.300302	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+Cl"	34.969402
"1282683"	192.079702	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Cl"	34.969402
"24148"	351.169206	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M-2H+K"	36.948606
"465896"	508.279506	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M-2H+K"	36.948606
"845886"	194.058906	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-2H+K"	36.948606
"1566096"	194.058906	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+K-2H"	36.948606
"952884"	202.108494	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-H+HCOOH"	44.998194
"372194"	359.218801	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+HCOOH-H"	44.998201
"354983"	373.234451	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+Hac-H"	59.013851
"1500536"	216.124151	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Hac-H"	59.013851
"969900"	224.090451	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-H+NaCOOH"	66.980151
"115891"	192.079702	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+2Cl"	69.938804
"558731"	270.634852	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+2Cl"	69.938804
"1028627"	113.524552	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2Cl"	69.938804
"1253672"	236.029185	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Br"	78.918885
"1316119"	238.085172	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Cl+HCOOH"	80.974872
"1331430"	260.067129	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Cl+NaCOOH"	102.956829
"924678"	270.095886	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M-H+CF3COOH"	112.985586
"1292640"	306.072564	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Cl+CF3COOH"	148.962264
"1375175"	122.097624	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H-2H2O"	-35.012676
"1392673"	140.1076	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H-H2O"	-17.0027
"296733"	315.227876	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+H"	1.007276
"686967"	472.338176	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+H"	1.007276
"1353473"	158.117576	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H"	1.007276
"128915"	158.117576	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+2H"	2.014552
"571392"	236.672726	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+2H"	2.014552
"1048940"	79.562426	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2H"	2.014552
"212833"	105.747476	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+3H"	3.021828
"650205"	158.117576	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+3H"	3.021828
"1170152"	53.377376	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+3H"	3.021828
"434523"	332.254423	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+NH4"	18.033823
"789683"	489.364723	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+NH4"	18.033823
"1682735"	175.144123	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+NH4"	18.033823
"331254"	166.6308495	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+H+NH4"	19.041099
"724526"	245.1859995	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+H+NH4"	19.041099
"1478712"	88.0756995	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H+NH4"	19.041099
"395937"	337.209818	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+Na"	22.989218
"759485"	494.320118	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+Na"	22.989218
"1613049"	180.099518	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Na"	22.989218
"316888"	169.108547	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+H+Na"	23.996494
"710038"	247.663697	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+H+Na"	23.996494
"1466047"	90.553397	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H+Na"	23.996494
"1060385"	60.70469	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2H+Na"	25.00377
"1261333"	190.143786	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+CH3OH+H"	33.033486
"378692"	353.183758	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+K"	38.963158
"740538"	510.294058	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+K"	38.963158
"1540525"	196.073458	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+K"	38.963158
"300499"	177.095517	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+H+K"	39.970434
"692191"	255.650667	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+H+K"	39.970434
"1446014"	98.540367	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H+K"	39.970434
"236804"	356.254426	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+ACN+H"	42.033826
"1214983"	199.144126	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+ACN+H"	42.033826
"1199960"	100.075701	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+ACN+2H"	43.041102
"199392"	359.19176	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+2Na-H"	44.97116
"633485"	516.30206	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+2Na-H"	44.97116
"1138087"	202.08146	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2Na-H"	44.97116
"178095"	180.099518	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+2Na"	45.978436
"616927"	258.654668	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+2Na"	45.978436
"1121889"	101.544368	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2Na"	45.978436
"1405779"	68.032004	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H+2Na"	46.985712
"1436800"	204.123046	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H+HCOOH"	47.012746
"224307"	185.13254	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+3H2O+2H"	56.04448
"1520395"	218.17509	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+IsoProp+H"	61.06479
"417529"	188.086488	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+Na+K"	61.952376
"775242"	266.641638	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+Na+K"	61.952376
"1670480"	109.531338	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Na+K"	61.952376
"253719"	378.236368	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+ACN+Na"	64.015768
"1225939"	221.126068	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+ACN+Na"	64.015768
"1715317"	221.149593	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+NH4+HCOOH"	64.039293
"1186510"	75.359318	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+3Na"	68.967654
"1651662"	226.104988	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Na+HCOOH"	68.994688
"158524"	391.13964	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+2K-H"	76.91904
"603188"	548.24994	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+2K-H"	76.91904
"1094628"	234.02934	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2K-H"	76.91904
"148162"	196.073458	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"2M+2K"	77.926316
"588817"	274.628608	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"3M+2K"	77.926316
"1069316"	117.518308	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2K"	77.926316
"1105446"	236.043892	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2K+H"	78.933592
"1342929"	236.131507	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+DMSO+H"	79.021207
"1014738"	240.170676	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2ACN+H"	83.060376
"1536509"	241.164308	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+IsoProp+Na+H"	84.054008
"990930"	120.588976	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+2ACN+2H"	84.067652
"1588350"	242.078928	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+K+HCOOH"	84.968628
"1420572"	272.110438	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+H+CF3COOH"	115.000138
"1156328"	141.102251	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+3ACN+2H"	125.094202
"1702600"	289.136985	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+NH4+CF3COOH"	132.026685
"1643718"	294.09238	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+Na+CF3COOH"	136.98208
"1578276"	310.06632	"C08283"	"Homostachydrine"	"C8H15NO2"	"157.1103"	"M+K+CF3COOH"	152.95602
"805360"	190.1066	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M"	0
"987647"	171.08821	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H2O-H"	-19.01839
"78036"	125.730457333333	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-3H"	-3.021828
"511076"	189.099324	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-3H"	-3.021828
"883410"	62.3615906666667	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-3H"	-3.021828
"12923"	189.099324	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H"	-2.014552
"450295"	284.152624	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H"	-2.014552
"824817"	94.046024	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H"	-2.014552
"81531"	379.205924	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-H"	-1.007276
"522546"	569.312524	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-H"	-1.007276
"901078"	189.099324	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H"	-1.007276
"52172"	396.232471	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+NH4"	16.019271
"491733"	586.339071	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+NH4"	16.019271
"869535"	206.125871	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+NH4"	16.019271
"39621"	401.187866	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+Na"	20.974666
"472986"	591.294466	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+Na"	20.974666
"854798"	211.081266	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+Na"	20.974666
"1624330"	211.081266	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na-2H"	20.974666
"96485"	207.087663	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-H+Cl"	33.962126
"535680"	302.140963	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-H+Cl"	33.962126
"941594"	112.034363	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+Cl"	33.962126
"280156"	415.182602	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Cl"	34.969402
"670390"	605.289202	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Cl"	34.969402
"1282793"	225.076002	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl"	34.969402
"27538"	417.161806	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+K"	36.948606
"462726"	607.268406	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+K"	36.948606
"847088"	227.055206	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+K"	36.948606
"1568392"	227.055206	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K-2H"	36.948606
"951901"	235.104794	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+HCOOH"	44.998194
"370115"	425.211401	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+HCOOH-H"	44.998201
"354000"	439.227051	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Hac-H"	59.013851
"1494206"	249.120451	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Hac-H"	59.013851
"966000"	257.086751	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+NaCOOH"	66.980151
"114907"	225.076002	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Cl"	69.938804
"553373"	320.129302	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Cl"	69.938804
"1023997"	130.022702	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Cl"	69.938804
"1249408"	269.025485	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Br"	78.918885
"1318417"	271.081472	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+HCOOH"	80.974872
"1329351"	293.063429	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+NaCOOH"	102.956829
"921504"	303.092186	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+CF3COOH"	112.985586
"1292750"	339.068864	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+CF3COOH"	148.962264
"1375285"	155.093924	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H-2H2O"	-35.012676
"1391689"	173.1039	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H-H2O"	-17.0027
"294657"	381.220476	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H"	1.007276
"684890"	571.327076	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H"	1.007276
"1353583"	191.113876	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H"	1.007276
"129025"	191.113876	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2H"	2.014552
"570408"	286.167176	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2H"	2.014552
"1041757"	96.060576	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2H"	2.014552
"212577"	127.745009333333	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+3H"	3.021828
"649950"	191.113876	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+3H"	3.021828
"1169168"	64.3761426666667	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3H"	3.021828
"432810"	398.247023	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+NH4"	18.033823
"788700"	588.353623	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+NH4"	18.033823
"1683938"	208.140423	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4"	18.033823
"331850"	199.6271495	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+NH4"	19.041099
"724638"	294.6804495	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+NH4"	19.041099
"1478824"	104.5738495	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+NH4"	19.041099
"397506"	403.202418	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Na"	22.989218
"760688"	593.309018	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Na"	22.989218
"1613159"	213.095818	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na"	22.989218
"315055"	202.104847	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+Na"	23.996494
"708325"	297.158147	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+Na"	23.996494
"1465063"	107.051547	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+Na"	23.996494
"1058308"	71.7034566666667	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2H+Na"	25.00377
"1258043"	223.140086	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+CH3OH+H"	33.033486
"380748"	419.176358	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+K"	38.963158
"741742"	609.282958	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+K"	38.963158
"1540271"	229.069758	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K"	38.963158
"298779"	210.091817	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+K"	39.970434
"691426"	305.145117	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+K"	39.970434
"1445632"	115.038517	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+K"	39.970434
"235939"	422.247026	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+H"	42.033826
"1216186"	232.140426	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+H"	42.033826
"1200070"	116.573851	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+2H"	43.041102
"200595"	425.18436	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Na-H"	44.97116
"634690"	615.29096	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Na-H"	44.97116
"1138197"	235.07776	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Na-H"	44.97116
"177113"	213.095818	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Na"	45.978436
"615581"	308.149118	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Na"	45.978436
"1121271"	118.042518	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Na"	45.978436
"1403702"	79.0307706666667	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+2Na"	46.985712
"1435817"	237.119346	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+HCOOH"	47.012746
"223324"	218.12884	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+3H2O+2H"	56.04448
"1520870"	251.17139	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+H"	61.06479
"417639"	221.082788	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Na+K"	61.952376
"775352"	316.136088	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Na+K"	61.952376
"1670590"	126.029488	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+K"	61.952376
"254923"	444.228968	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+Na"	64.015768
"1228724"	254.122368	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+Na"	64.015768
"1713601"	254.145893	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4+HCOOH"	64.039293
"1186256"	86.3580846666667	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3Na"	68.967654
"1650794"	259.101288	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+HCOOH"	68.994688
"161549"	457.13224	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2K-H"	76.91904
"599288"	647.23884	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2K-H"	76.91904
"1088540"	267.02564	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K-H"	76.91904
"148272"	229.069758	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2K"	77.926316
"588925"	324.123058	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2K"	77.926316
"1069301"	134.016458	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K"	77.926316
"1106649"	269.040192	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K+H"	78.933592
"1344132"	269.127807	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+DMSO+H"	79.021207
"1014848"	273.166976	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+H"	83.060376
"1536619"	274.160608	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+Na+H"	84.054008
"991771"	137.087126	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+2H"	84.067652
"1587851"	275.075228	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K+HCOOH"	84.968628
"1420682"	305.106738	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+CF3COOH"	115.000138
"1156438"	157.600401	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3ACN+2H"	125.094202
"1702710"	322.133285	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4+CF3COOH"	132.026685
"1643828"	327.08868	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+CF3COOH"	136.98208
"1578386"	343.06262	"C08284"	"gamma-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K+CF3COOH"	152.95602
"807657"	288.2301	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M"	0
"989781"	269.21171	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-H2O-H"	-19.01839
"78460"	191.146124	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M-3H"	-3.021828
"518072"	287.222824	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M-3H"	-3.021828
"891174"	95.069424	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-3H"	-3.021828
"13034"	287.222824	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M-2H"	-2.014552
"453321"	431.337874	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M-2H"	-2.014552
"827843"	143.107774	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-2H"	-2.014552
"83828"	575.452924	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M-H"	-1.007276
"523386"	863.683024	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M-H"	-1.007276
"899365"	287.222824	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-H"	-1.007276
"49729"	592.479471	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M-2H+NH4"	16.019271
"491843"	880.709571	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M-2H+NH4"	16.019271
"867458"	304.249371	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-2H+NH4"	16.019271
"37544"	597.434866	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M-2H+Na"	20.974666
"474189"	885.664966	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M-2H+Na"	20.974666
"853815"	309.204766	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-2H+Na"	20.974666
"1623347"	309.204766	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Na-2H"	20.974666
"96595"	305.211163	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M-H+Cl"	33.962126
"536519"	449.326213	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M-H+Cl"	33.962126
"942476"	161.096113	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-H+Cl"	33.962126
"281359"	611.429602	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+Cl"	34.969402
"670500"	899.659702	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+Cl"	34.969402
"1285821"	323.199502	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Cl"	34.969402
"27648"	613.408806	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M-2H+K"	36.948606
"463929"	901.638906	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M-2H+K"	36.948606
"846106"	325.178706	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-2H+K"	36.948606
"1568501"	325.178706	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+K-2H"	36.948606
"952009"	333.228294	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-H+HCOOH"	44.998194
"370226"	621.458401	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+HCOOH-H"	44.998201
"354108"	635.474051	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+Hac-H"	59.013851
"1499662"	347.243951	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Hac-H"	59.013851
"967203"	355.210251	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-H+NaCOOH"	66.980151
"122671"	323.199502	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+2Cl"	69.938804
"556763"	467.314552	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+2Cl"	69.938804
"1032125"	179.084452	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2Cl"	69.938804
"1253891"	367.148985	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Br"	78.918885
"1318526"	369.204972	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Cl+HCOOH"	80.974872
"1331648"	391.186929	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Cl+NaCOOH"	102.956829
"918334"	401.215686	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M-H+CF3COOH"	112.985586
"1300514"	437.192364	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Cl+CF3COOH"	148.962264
"1378675"	253.217424	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H-2H2O"	-35.012676
"1396174"	271.2274	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H-H2O"	-17.0027
"296953"	577.467476	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+H"	1.007276
"686093"	865.697576	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+H"	1.007276
"1354057"	289.237376	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H"	1.007276
"130958"	289.237376	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+2H"	2.014552
"570518"	433.352426	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+2H"	2.014552
"1043690"	145.122326	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2H"	2.014552
"212687"	193.160676	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+3H"	3.021828
"648967"	289.237376	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+3H"	3.021828
"1169278"	97.083976	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+3H"	3.021828
"432556"	594.494023	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+NH4"	18.033823
"789539"	882.724123	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+NH4"	18.033823
"1685144"	306.263923	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+NH4"	18.033823
"331231"	297.7506495	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+H+NH4"	19.041099
"723655"	441.8656995	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+H+NH4"	19.041099
"1478688"	153.6355995	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H+NH4"	19.041099
"393847"	599.449418	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+Na"	22.989218
"754966"	887.679518	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+Na"	22.989218
"1607802"	311.219318	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Na"	22.989218
"316016"	300.228347	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+H+Na"	23.996494
"708075"	444.343397	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+H+Na"	23.996494
"1465174"	156.113297	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H+Na"	23.996494
"1060605"	104.41129	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2H+Na"	25.00377
"1258637"	321.263586	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+CH3OH+H"	33.033486
"378307"	615.423358	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+K"	38.963158
"739665"	903.653458	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+K"	38.963158
"1539933"	327.193258	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+K"	38.963158
"298630"	308.215317	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+H+K"	39.970434
"691802"	452.330367	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+H+K"	39.970434
"1446597"	164.100267	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H+K"	39.970434
"236292"	618.494026	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+ACN+H"	42.033826
"1216297"	330.263926	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+ACN+H"	42.033826
"1200180"	165.635601	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+ACN+2H"	43.041102
"197425"	621.43136	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+2Na-H"	44.97116
"631884"	909.66146	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+2Na-H"	44.97116
"1136484"	333.20126	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2Na-H"	44.97116
"177949"	311.219318	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+2Na"	45.978436
"617878"	455.334368	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+2Na"	45.978436
"1119191"	167.104268	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2Na"	45.978436
"1403812"	111.738604	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H+2Na"	46.985712
"1432643"	335.242846	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H+HCOOH"	47.012746
"222703"	316.25234	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+3H2O+2H"	56.04448
"1520251"	349.29489	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+IsoProp+H"	61.06479
"419207"	319.206288	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+Na+K"	61.952376
"777649"	463.321338	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+Na+K"	61.952376
"1671793"	175.091238	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Na+K"	61.952376
"254302"	640.475968	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+ACN+Na"	64.015768
"1229198"	352.245868	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+ACN+Na"	64.015768
"1712979"	352.269393	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+NH4+HCOOH"	64.039293
"1186366"	119.065918	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+3Na"	68.967654
"1651153"	357.224788	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Na+HCOOH"	68.994688
"163482"	653.37924	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+2K-H"	76.91904
"601950"	941.60934	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+2K-H"	76.91904
"1088286"	365.14914	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2K-H"	76.91904
"150569"	327.193258	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"2M+2K"	77.926316
"591222"	471.308308	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"3M+2K"	77.926316
"1069659"	183.078208	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2K"	77.926316
"1106759"	367.163692	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2K+H"	78.933592
"1344242"	367.251307	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+DMSO+H"	79.021207
"1014958"	371.290476	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2ACN+H"	83.060376
"1535636"	372.284108	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+IsoProp+Na+H"	84.054008
"995161"	186.148876	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+2ACN+2H"	84.067652
"1590028"	373.198728	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+K+HCOOH"	84.968628
"1420792"	403.230238	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+H+CF3COOH"	115.000138
"1157641"	206.662151	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+3ACN+2H"	125.094202
"1702820"	420.256785	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+NH4+CF3COOH"	132.026685
"1643938"	425.21218	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+Na+CF3COOH"	136.98208
"1578496"	441.18612	"C08285"	"1016-Dihydroxyhexadecanoic acid;Hexadecanoic acid 1016-dihydroxy-"	"C16H32O4"	"288.2301"	"M+K+CF3COOH"	152.95602
"804487"	204.1222	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M"	0
"986777"	185.10381	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-H2O-H"	-19.01839
"76839"	135.074190666667	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M-3H"	-3.021828
"515670"	203.114924	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M-3H"	-3.021828
"885817"	67.0334573333333	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-3H"	-3.021828
"13144"	203.114924	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M-2H"	-2.014552
"455134"	305.176024	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M-2H"	-2.014552
"825037"	101.053824	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-2H"	-2.014552
"87218"	407.237124	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M-H"	-1.007276
"525683"	611.359324	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M-H"	-1.007276
"898017"	203.114924	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-H"	-1.007276
"49111"	424.263671	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M-2H+NH4"	16.019271
"493046"	628.385871	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M-2H+NH4"	16.019271
"866475"	220.141471	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-2H+NH4"	16.019271
"36561"	429.219066	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M-2H+Na"	20.974666
"473935"	633.341266	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M-2H+Na"	20.974666
"851738"	225.096866	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-2H+Na"	20.974666
"1622363"	225.096866	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Na-2H"	20.974666
"97799"	221.103263	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M-H+Cl"	33.962126
"539545"	323.164363	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M-H+Cl"	33.962126
"937440"	119.042163	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-H+Cl"	33.962126
"279283"	443.213802	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+Cl"	34.969402
"666237"	647.336002	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+Cl"	34.969402
"1283015"	239.091602	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Cl"	34.969402
"26665"	445.193006	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M-2H+K"	36.948606
"464039"	649.315206	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M-2H+K"	36.948606
"846216"	241.070806	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-2H+K"	36.948606
"1568611"	241.070806	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+K-2H"	36.948606
"952119"	249.120394	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-H+HCOOH"	44.998194
"371430"	453.242601	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+HCOOH-H"	44.998201
"354218"	467.258251	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+Hac-H"	59.013851
"1499772"	263.136051	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Hac-H"	59.013851
"968407"	271.102351	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-H+NaCOOH"	66.980151
"121688"	239.091602	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+2Cl"	69.938804
"556873"	341.152702	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+2Cl"	69.938804
"1028955"	137.030502	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2Cl"	69.938804
"1252909"	283.041085	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Br"	78.918885
"1317908"	285.097072	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Cl+HCOOH"	80.974872
"1332852"	307.079029	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Cl+NaCOOH"	102.956829
"918444"	317.107786	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M-H+CF3COOH"	112.985586
"1300624"	353.084464	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Cl+CF3COOH"	148.962264
"1379881"	169.109524	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H-2H2O"	-35.012676
"1395190"	187.1195	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H-H2O"	-17.0027
"294876"	409.251676	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+H"	1.007276
"687297"	613.373876	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+H"	1.007276
"1352345"	205.129476	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H"	1.007276
"132160"	205.129476	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+2H"	2.014552
"566617"	307.190576	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+2H"	2.014552
"1040520"	103.068376	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2H"	2.014552
"213890"	137.088742666667	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+3H"	3.021828
"647255"	205.129476	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+3H"	3.021828
"1166108"	69.0480093333333	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+3H"	3.021828
"430478"	426.278223	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+NH4"	18.033823
"789287"	630.400423	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+NH4"	18.033823
"1685983"	222.156023	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+NH4"	18.033823
"332439"	213.6427495	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+H+NH4"	19.041099
"723765"	315.7038495	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+H+NH4"	19.041099
"1479042"	111.5816495	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H+NH4"	19.041099
"393108"	431.233618	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+Na"	22.989218
"757628"	635.355818	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+Na"	22.989218
"1607913"	227.111418	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Na"	22.989218
"314829"	216.120447	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+H+Na"	23.996494
"709278"	318.181547	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+H+Na"	23.996494
"1466376"	114.059347	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H+Na"	23.996494
"1061808"	76.3753233333333	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2H+Na"	25.00377
"1258382"	237.155686	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+CH3OH+H"	33.033486
"379147"	447.207558	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+K"	38.963158
"743055"	651.329758	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+K"	38.963158
"1540041"	243.085358	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+K"	38.963158
"299006"	224.107417	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+H+K"	39.970434
"691487"	326.168517	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+H+K"	39.970434
"1446706"	122.046317	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H+K"	39.970434
"236198"	450.278226	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+ACN+H"	42.033826
"1217500"	246.156026	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+ACN+H"	42.033826
"1203570"	123.581651	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+ACN+2H"	43.041102
"197535"	453.21556	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+2Na-H"	44.97116
"637097"	657.33776	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+2Na-H"	44.97116
"1135137"	249.09336	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2Na-H"	44.97116
"175146"	227.111418	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+2Na"	45.978436
"620175"	329.172518	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+2Na"	45.978436
"1118575"	125.050318	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2Na"	45.978436
"1403922"	83.7026373333333	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H+2Na"	46.985712
"1431296"	251.134946	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H+HCOOH"	47.012746
"221721"	232.14444	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+3H2O+2H"	56.04448
"1519268"	265.18699	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+IsoProp+H"	61.06479
"418952"	235.098388	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+Na+K"	61.952376
"777759"	337.159488	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+Na+K"	61.952376
"1670810"	133.037288	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Na+K"	61.952376
"254048"	472.260168	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+ACN+Na"	64.015768
"1227122"	268.137968	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+ACN+Na"	64.015768
"1713090"	268.161493	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+NH4+HCOOH"	64.039293
"1181370"	91.0299513333333	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+3Na"	68.967654
"1650653"	273.116888	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Na+HCOOH"	68.994688
"164322"	485.16344	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+2K-H"	76.91904
"602790"	689.28564	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+2K-H"	76.91904
"1092770"	281.04124	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2K-H"	76.91904
"150680"	243.085358	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"2M+2K"	77.926316
"591332"	345.146458	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"3M+2K"	77.926316
"1071472"	141.024258	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2K"	77.926316
"1106868"	283.055792	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2K+H"	78.933592
"1345811"	283.143407	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+DMSO+H"	79.021207
"1013975"	287.182576	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2ACN+H"	83.060376
"1535746"	288.176208	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+IsoProp+Na+H"	84.054008
"1001466"	144.094926	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+2ACN+2H"	84.067652
"1593054"	289.090828	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+K+HCOOH"	84.968628
"1420902"	319.122338	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+H+CF3COOH"	115.000138
"1152283"	164.608201	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+3ACN+2H"	125.094202
"1705117"	336.148885	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+NH4+CF3COOH"	132.026685
"1644049"	341.10428	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+Na+CF3COOH"	136.98208
"1577513"	357.07822	"C08286"	"()-gamma-Hydroxy-L-homoarginine"	"C7H16N4O3"	"204.1222"	"M+K+CF3COOH"	152.95602
"805690"	141.079	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M"	0
"989438"	122.06061	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-H2O-H"	-19.01839
"78245"	93.0453906666667	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M-3H"	-3.021828
"513593"	140.071724	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M-3H"	-3.021828
"887020"	46.0190573333333	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-3H"	-3.021828
"11069"	140.071724	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M-2H"	-2.014552
"450627"	210.611224	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M-2H"	-2.014552
"831103"	69.532224	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-2H"	-2.014552
"87328"	281.150724	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M-H"	-1.007276
"522513"	422.229724	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M-H"	-1.007276
"901407"	140.071724	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-H"	-1.007276
"53593"	298.177271	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M-2H+NH4"	16.019271
"496800"	439.256271	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M-2H+NH4"	16.019271
"873508"	157.098271	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-2H+NH4"	16.019271
"41043"	303.132666	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M-2H+Na"	20.974666
"476230"	444.211666	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M-2H+Na"	20.974666
"857312"	162.053666	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-2H+Na"	20.974666
"1626845"	162.053666	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Na-2H"	20.974666
"102281"	158.060063	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M-H+Cl"	33.962126
"542933"	228.599563	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M-H+Cl"	33.962126
"934269"	87.520563	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-H+Cl"	33.962126
"281457"	317.127402	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+Cl"	34.969402
"672908"	458.206402	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+Cl"	34.969402
"1285312"	176.048402	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Cl"	34.969402
"26775"	319.106606	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M-2H+K"	36.948606
"465242"	460.185606	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M-2H+K"	36.948606
"847419"	178.027606	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-2H+K"	36.948606
"1567628"	178.027606	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+K-2H"	36.948606
"954417"	186.077194	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-H+HCOOH"	44.998194
"371540"	327.156201	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+HCOOH-H"	44.998201
"355422"	341.171851	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+Hac-H"	59.013851
"1499882"	200.092851	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Hac-H"	59.013851
"966330"	208.059151	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-H+NaCOOH"	66.980151
"121797"	176.048402	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+2Cl"	69.938804
"560263"	246.587902	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+2Cl"	69.938804
"1029065"	105.508902	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2Cl"	69.938804
"1253019"	219.997885	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Br"	78.918885
"1318625"	222.053872	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Cl+HCOOH"	80.974872
"1331869"	244.035829	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Cl+NaCOOH"	102.956829
"918554"	254.064586	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M-H+CF3COOH"	112.985586
"1298548"	290.041264	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Cl+CF3COOH"	148.962264
"1381813"	106.066324	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H-2H2O"	-35.012676
"1394207"	124.0763	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H-H2O"	-17.0027
"294986"	283.165276	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+H"	1.007276
"684127"	424.244276	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+H"	1.007276
"1352820"	142.086276	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H"	1.007276
"133363"	142.086276	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+2H"	2.014552
"566726"	212.625776	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+2H"	2.014552
"1041723"	71.546776	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2H"	2.014552
"211813"	95.0599426666667	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+3H"	3.021828
"649551"	142.086276	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+3H"	3.021828
"1166218"	48.0336093333333	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+3H"	3.021828
"428400"	300.191823	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+NH4"	18.033823
"789397"	441.270823	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+NH4"	18.033823
"1686820"	159.112823	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+NH4"	18.033823
"332911"	150.5995495	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+H+NH4"	19.041099
"725694"	221.1390495	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+H+NH4"	19.041099
"1480245"	80.0600495	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H+NH4"	19.041099
"393825"	305.147218	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+Na"	22.989218
"757736"	446.226218	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+Na"	22.989218
"1606929"	164.068218	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Na"	22.989218
"319151"	153.077247	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+H+Na"	23.996494
"712666"	223.616747	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+H+Na"	23.996494
"1466486"	82.537747	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H+Na"	23.996494
"1063011"	55.3609233333333	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2H+Na"	25.00377
"1258856"	174.112486	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+CH3OH+H"	33.033486
"383264"	321.121158	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+K"	38.963158
"743166"	462.200158	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+K"	38.963158
"1540846"	180.042158	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+K"	38.963158
"299603"	161.064217	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+H+K"	39.970434
"691939"	231.603717	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+H+K"	39.970434
"1448638"	90.524717	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H+K"	39.970434
"236634"	324.191826	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+ACN+H"	42.033826
"1214329"	183.112826	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+ACN+H"	42.033826
"1202587"	92.060051	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+ACN+2H"	43.041102
"197645"	327.12916	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+2Na-H"	44.97116
"633927"	468.20816	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+2Na-H"	44.97116
"1142900"	186.05016	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2Na-H"	44.97116
"184002"	164.068218	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+2Na"	45.978436
"621378"	234.607718	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+2Na"	45.978436
"1120508"	93.528718	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2Na"	45.978436
"1402937"	62.6882373333333	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H+2Na"	46.985712
"1431406"	188.091746	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H+HCOOH"	47.012746
"223654"	169.10124	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+3H2O+2H"	56.04448
"1523387"	202.14379	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+IsoProp+H"	61.06479
"421248"	172.055188	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+Na+K"	61.952376
"777869"	242.594688	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+Na+K"	61.952376
"1670920"	101.515688	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Na+K"	61.952376
"254157"	346.173768	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+ACN+Na"	64.015768
"1227596"	205.094768	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+ACN+Na"	64.015768
"1714413"	205.118293	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+NH4+HCOOH"	64.039293
"1183666"	70.0155513333333	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+3Na"	68.967654
"1650280"	210.073688	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Na+HCOOH"	68.994688
"160058"	359.07704	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+2K-H"	76.91904
"604358"	500.15604	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+2K-H"	76.91904
"1088506"	217.99804	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2K-H"	76.91904
"149331"	180.042158	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"2M+2K"	77.926316
"592169"	250.581658	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"3M+2K"	77.926316
"1071582"	109.502658	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2K"	77.926316
"1102604"	220.012592	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2K+H"	78.933592
"1344827"	220.100207	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+DMSO+H"	79.021207
"1013721"	224.139376	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2ACN+H"	83.060376
"1533669"	225.133008	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+IsoProp+Na+H"	84.054008
"1001576"	112.573326	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+2ACN+2H"	84.067652
"1590977"	226.047628	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+K+HCOOH"	84.968628
"1424292"	256.079138	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+H+CF3COOH"	115.000138
"1151300"	133.086601	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+3ACN+2H"	125.094202
"1704134"	273.105685	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+NH4+CF3COOH"	132.026685
"1644158"	278.06108	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+Na+CF3COOH"	136.98208
"1577623"	294.03502	"C08287"	"Hypoglycin;Hypoglycin A;Hypoglycine A;L-Hypoglycin"	"C7H11NO2"	"141.079"	"M+K+CF3COOH"	152.95602
"804707"	173.1164	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M"	0
"989305"	154.09801	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-H2O-H"	-19.01839
"78154"	114.403657333333	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M-3H"	-3.021828
"512610"	172.109124	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M-3H"	-3.021828
"884944"	56.6981906666667	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-3H"	-3.021828
"14460"	172.109124	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M-2H"	-2.014552
"450738"	258.667324	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M-2H"	-2.014552
"828538"	85.550924	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-2H"	-2.014552
"88531"	345.225524	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M-H"	-1.007276
"522623"	518.341924	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M-H"	-1.007276
"900424"	172.109124	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-H"	-1.007276
"52610"	362.252071	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M-2H+NH4"	16.019271
"496545"	535.368471	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M-2H+NH4"	16.019271
"874346"	189.135671	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-2H+NH4"	16.019271
"40060"	367.207466	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M-2H+Na"	20.974666
"476340"	540.323866	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M-2H+Na"	20.974666
"856329"	194.091066	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-2H+Na"	20.974666
"1626955"	194.091066	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Na-2H"	20.974666
"101298"	190.097463	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M-H+Cl"	33.962126
"543043"	276.655663	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M-H+Cl"	33.962126
"934372"	103.539263	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-H+Cl"	33.962126
"277312"	381.202202	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+Cl"	34.969402
"668642"	554.318602	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+Cl"	34.969402
"1277767"	208.085802	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Cl"	34.969402
"22509"	383.181406	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M-2H+K"	36.948606
"468633"	556.297806	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M-2H+K"	36.948606
"844977"	210.065006	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-2H+K"	36.948606
"1565549"	210.065006	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+K-2H"	36.948606
"952338"	218.114594	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-H+HCOOH"	44.998194
"368366"	391.231001	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+HCOOH-H"	44.998201
"353346"	405.246651	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+Hac-H"	59.013851
"1498898"	232.130251	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Hac-H"	59.013851
"966439"	240.096551	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-H+NaCOOH"	66.980151
"119721"	208.085802	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+2Cl"	69.938804
"559280"	294.644002	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+2Cl"	69.938804
"1025895"	121.527602	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2Cl"	69.938804
"1253127"	252.035285	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Br"	78.918885
"1314484"	254.091272	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Cl+HCOOH"	80.974872
"1328699"	276.073229	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Cl+NaCOOH"	102.956829
"915383"	286.101986	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M-H+CF3COOH"	112.985586
"1300843"	322.078664	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Cl+CF3COOH"	148.962264
"1379007"	138.103724	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H-2H2O"	-35.012676
"1395408"	156.1137	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H-H2O"	-17.0027
"295095"	347.240076	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+H"	1.007276
"683144"	520.356476	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+H"	1.007276
"1358397"	174.123676	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H"	1.007276
"132380"	174.123676	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+2H"	2.014552
"569025"	260.681876	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+2H"	2.014552
"1047300"	87.565476	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2H"	2.014552
"211923"	116.418209333333	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+3H"	3.021828
"647110"	174.123676	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+3H"	3.021828
"1166327"	58.7127426666667	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+3H"	3.021828
"425958"	364.266623	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+NH4"	18.033823
"788047"	537.383023	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+NH4"	18.033823
"1681697"	191.150223	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+NH4"	18.033823
"330705"	182.6369495	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+H+NH4"	19.041099
"723980"	269.1951495	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+H+NH4"	19.041099
"1479985"	96.0787495	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H+NH4"	19.041099
"396850"	369.222018	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+Na"	22.989218
"757847"	542.338418	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+Na"	22.989218
"1609226"	196.105618	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Na"	22.989218
"317074"	185.114647	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+H+Na"	23.996494
"708523"	271.672847	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+H+Na"	23.996494
"1466596"	98.556447	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H+Na"	23.996494
"1059840"	66.0400566666667	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2H+Na"	25.00377
"1260426"	206.149886	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+CH3OH+H"	33.033486
"378027"	385.195958	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+K"	38.963158
"741089"	558.312358	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+K"	38.963158
"1540581"	212.079558	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+K"	38.963158
"299469"	193.101617	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+H+K"	39.970434
"692498"	279.659817	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+H+K"	39.970434
"1447047"	106.543417	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H+K"	39.970434
"238082"	388.266626	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+ACN+H"	42.033826
"1212616"	215.150226	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+ACN+H"	42.033826
"1198323"	108.078751	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+ACN+2H"	43.041102
"199942"	391.20396	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+2Na-H"	44.97116
"637317"	564.32036	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+2Na-H"	44.97116
"1144103"	218.08756	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2Na-H"	44.97116
"184112"	196.105618	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+2Na"	45.978436
"621488"	282.663818	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+2Na"	45.978436
"1122805"	109.547418	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2Na"	45.978436
"1403047"	73.3673706666667	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H+2Na"	46.985712
"1432244"	220.129146	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H+HCOOH"	47.012746
"223399"	201.13864	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+3H2O+2H"	56.04448
"1522770"	234.18119	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+IsoProp+H"	61.06479
"422087"	204.092588	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+Na+K"	61.952376
"777979"	290.650788	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+Na+K"	61.952376
"1671030"	117.534388	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Na+K"	61.952376
"253902"	410.248568	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+ACN+Na"	64.015768
"1227339"	237.132168	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+ACN+Na"	64.015768
"1714766"	237.155693	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+NH4+HCOOH"	64.039293
"1185599"	80.6946846666667	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+3Na"	68.967654
"1652942"	242.111088	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Na+HCOOH"	68.994688
"162356"	423.15184	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+2K-H"	76.91904
"603010"	596.26824	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+2K-H"	76.91904
"1086429"	250.03544	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2K-H"	76.91904
"150898"	212.079558	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"2M+2K"	77.926316
"592643"	298.637758	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"3M+2K"	77.926316
"1070596"	125.521358	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2K"	77.926316
"1105994"	252.049992	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2K+H"	78.933592
"1346759"	252.137607	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+DMSO+H"	79.021207
"1015288"	256.176776	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2ACN+H"	83.060376
"1534143"	257.170408	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+IsoProp+Na+H"	84.054008
"1003144"	128.592026	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+2ACN+2H"	84.067652
"1591087"	258.085028	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+K+HCOOH"	84.968628
"1421122"	288.116538	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+H+CF3COOH"	115.000138
"1154690"	149.105301	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+3ACN+2H"	125.094202
"1704244"	305.143085	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+NH4+CF3COOH"	132.026685
"1642081"	310.09848	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+Na+CF3COOH"	136.98208
"1577733"	326.07242	"C08288"	"Indospicine;L-Indospicine"	"C7H15N3O2"	"173.1164"	"M+K+CF3COOH"	152.95602
"807003"	199.0593	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M"	0
"989291"	180.04091	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-H2O-H"	-19.01839
"76438"	131.698924	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M-3H"	-3.021828
"516001"	198.052024	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M-3H"	-3.021828
"889428"	65.345824	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-3H"	-3.021828
"13475"	198.052024	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M-2H"	-2.014552
"445382"	297.581674	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M-2H"	-2.014552
"825370"	98.522374	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-2H"	-2.014552
"89736"	397.111324	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M-H"	-1.007276
"524920"	596.170624	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M-H"	-1.007276
"898347"	198.052024	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-H"	-1.007276
"51994"	414.137871	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M-2H+NH4"	16.019271
"492283"	613.197171	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M-2H+NH4"	16.019271
"867897"	215.078571	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-2H+NH4"	16.019271
"35798"	419.093266	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M-2H+Na"	20.974666
"475721"	618.152566	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M-2H+Na"	20.974666
"856440"	220.033966	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-2H+Na"	20.974666
"1625973"	220.033966	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Na-2H"	20.974666
"104693"	216.040363	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M-H+Cl"	33.962126
"540969"	315.570013	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M-H+Cl"	33.962126
"938860"	116.510713	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-H+Cl"	33.962126
"281433"	433.088002	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+Cl"	34.969402
"665472"	632.147302	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+Cl"	34.969402
"1278970"	234.028702	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Cl"	34.969402
"28089"	435.067206	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M-2H+K"	36.948606
"465462"	634.126506	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M-2H+K"	36.948606
"843266"	236.007906	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-2H+K"	36.948606
"1567847"	236.007906	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+K-2H"	36.948606
"953540"	244.057494	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-H+HCOOH"	44.998194
"363009"	443.116801	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+HCOOH-H"	44.998201
"354548"	457.132451	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+Hac-H"	59.013851
"1500101"	258.073151	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Hac-H"	59.013851
"967643"	266.039451	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-H+NaCOOH"	66.980151
"111448"	234.028702	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+2Cl"	69.938804
"560486"	333.558352	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+2Cl"	69.938804
"1023454"	134.499052	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2Cl"	69.938804
"1243398"	277.978185	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Br"	78.918885
"1309126"	280.034172	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Cl+HCOOH"	80.974872
"1326623"	302.016129	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Cl+NaCOOH"	102.956829
"923152"	312.044886	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M-H+CF3COOH"	112.985586
"1297672"	348.021564	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Cl+CF3COOH"	148.962264
"1372557"	164.046624	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H-2H2O"	-35.012676
"1392239"	182.0566	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H-H2O"	-17.0027
"294113"	399.125876	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+H"	1.007276
"684348"	598.185176	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+H"	1.007276
"1354134"	200.066576	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H"	1.007276
"132490"	200.066576	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+2H"	2.014552
"568037"	299.596226	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+2H"	2.014552
"1040117"	100.536926	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2H"	2.014552
"205471"	133.713476	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+3H"	3.021828
"644667"	200.066576	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+3H"	3.021828
"1167535"	67.360376	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+3H"	3.021828
"425701"	416.152423	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+NH4"	18.033823
"786449"	615.211723	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+NH4"	18.033823
"1681480"	217.093123	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+NH4"	18.033823
"330448"	208.5798495	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+H+NH4"	19.041099
"727373"	308.1094995	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+H+NH4"	19.041099
"1477215"	109.0501995	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H+NH4"	19.041099
"394401"	421.107818	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+Na"	22.989218
"756132"	620.167118	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+Na"	22.989218
"1607148"	222.048518	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Na"	22.989218
"314995"	211.057547	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+H+Na"	23.996494
"708266"	310.587197	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+H+Na"	23.996494
"1463547"	111.527897	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H+Na"	23.996494
"1057765"	74.68769	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2H+Na"	25.00377
"1259443"	232.092786	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+CH3OH+H"	33.033486
"379112"	437.081758	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+K"	38.963158
"741201"	636.141058	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+K"	38.963158
"1540700"	238.022458	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+K"	38.963158
"302619"	219.044517	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+H+K"	39.970434
"692242"	318.574167	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+H+K"	39.970434
"1447403"	119.514867	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H+K"	39.970434
"238923"	440.152426	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+ACN+H"	42.033826
"1216737"	241.093126	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+ACN+H"	42.033826
"1201714"	121.050201	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+ACN+2H"	43.041102
"198962"	443.08976	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+2Na-H"	44.97116
"636335"	642.14906	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+2Na-H"	44.97116
"1136196"	244.03046	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2Na-H"	44.97116
"180945"	222.048518	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+2Na"	45.978436
"617584"	321.578168	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+2Na"	45.978436
"1119633"	122.518868	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2Na"	45.978436
"1402066"	82.015004	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H+2Na"	46.985712
"1437462"	246.072046	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H+HCOOH"	47.012746
"228251"	227.08154	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+3H2O+2H"	56.04448
"1520690"	260.12409	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+IsoProp+H"	61.06479
"417096"	230.035488	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+Na+K"	61.952376
"776268"	329.565138	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+Na+K"	61.952376
"1667858"	130.505838	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Na+K"	61.952376
"254014"	462.134368	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+ACN+Na"	64.015768
"1228910"	263.075068	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+ACN+Na"	64.015768
"1713783"	263.098593	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+NH4+HCOOH"	64.039293
"1181698"	89.342318	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+3Na"	68.967654
"1654143"	268.053988	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Na+HCOOH"	68.994688
"160638"	475.03764	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+2K-H"	76.91904
"601293"	674.09694	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+2K-H"	76.91904
"1086898"	275.97834	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2K-H"	76.91904
"146634"	238.022458	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"2M+2K"	77.926316
"589474"	337.552108	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"3M+2K"	77.926316
"1070219"	138.492808	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2K"	77.926316
"1106104"	277.992892	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2K+H"	78.933592
"1341397"	278.080507	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+DMSO+H"	79.021207
"1013209"	282.119676	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2ACN+H"	83.060376
"1534617"	283.113308	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+IsoProp+Na+H"	84.054008
"1001065"	141.563476	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+2ACN+2H"	84.067652
"1593385"	284.027928	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+K+HCOOH"	84.968628
"1419045"	314.059438	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+H+CF3COOH"	115.000138
"1153709"	162.076751	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+3ACN+2H"	125.094202
"1707633"	331.085985	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+NH4+CF3COOH"	132.026685
"1640002"	336.04138	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+Na+CF3COOH"	136.98208
"1577843"	352.01532	"C08289"	"Isowillardiine"	"C7H9N3O4"	"199.0593"	"M+K+CF3COOH"	152.95602
"804927"	182.0804	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M"	0
"988916"	163.06201	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-H2O-H"	-19.01839
"77641"	120.379657333333	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M-3H"	-3.021828
"516842"	181.073124	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M-3H"	-3.021828
"894644"	59.6861906666667	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-3H"	-3.021828
"9212"	181.073124	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M-2H"	-2.014552
"442940"	272.113324	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M-2H"	-2.014552
"820014"	90.032924	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-2H"	-2.014552
"82193"	363.153524	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M-H"	-1.007276
"521750"	545.233924	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M-H"	-1.007276
"899552"	181.073124	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-H"	-1.007276
"51740"	380.180071	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M-2H+NH4"	16.019271
"490206"	562.260471	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M-2H+NH4"	16.019271
"870195"	198.099671	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-2H+NH4"	16.019271
"37001"	385.135466	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M-2H+Na"	20.974666
"475468"	567.215866	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M-2H+Na"	20.974666
"855458"	203.055066	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-2H+Na"	20.974666
"1626084"	203.055066	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Na-2H"	20.974666
"102617"	199.061463	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M-H+Cl"	33.962126
"537803"	290.101663	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M-H+Cl"	33.962126
"933505"	108.021263	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-H+Cl"	33.962126
"278629"	399.130202	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+Cl"	34.969402
"660840"	581.210602	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+Cl"	34.969402
"1287588"	217.049802	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Cl"	34.969402
"29294"	401.109406	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M-2H+K"	36.948606
"465574"	583.189806	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M-2H+K"	36.948606
"843375"	219.029006	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-2H+K"	36.948606
"1565770"	219.029006	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+K-2H"	36.948606
"950373"	227.078594	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-H+HCOOH"	44.998194
"368589"	409.159001	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+HCOOH-H"	44.998201
"351379"	423.174651	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+Hac-H"	59.013851
"1501304"	241.094251	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Hac-H"	59.013851
"966659"	249.060551	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-H+NaCOOH"	66.980151
"119942"	217.049802	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+2Cl"	69.938804
"561688"	308.090002	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+2Cl"	69.938804
"1022471"	126.009602	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2Cl"	69.938804
"1247882"	260.999285	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Br"	78.918885
"1311423"	263.055272	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Cl+HCOOH"	80.974872
"1326733"	285.037229	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Cl+NaCOOH"	102.956829
"924356"	295.065986	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M-H+CF3COOH"	112.985586
"1299971"	331.042664	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Cl+CF3COOH"	148.962264
"1371937"	147.067724	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H-2H2O"	-35.012676
"1390162"	165.0777	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H-H2O"	-17.0027
"293129"	365.168076	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+H"	1.007276
"682271"	547.248476	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+H"	1.007276
"1353151"	183.087676	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H"	1.007276
"131507"	183.087676	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+2H"	2.014552
"569608"	274.127876	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+2H"	2.014552
"1039863"	92.047476	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2H"	2.014552
"205581"	122.394209333333	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+3H"	3.021828
"646965"	183.087676	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+3H"	3.021828
"1169831"	61.7007426666667	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+3H"	3.021828
"429825"	382.194623	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+NH4"	18.033823
"790452"	564.275023	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+NH4"	18.033823
"1682406"	200.114223	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+NH4"	18.033823
"331412"	191.6009495	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+H+NH4"	19.041099
"727849"	282.6411495	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+H+NH4"	19.041099
"1478750"	100.5607495	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H+NH4"	19.041099
"394880"	387.150018	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+Na"	22.989218
"758065"	569.230418	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+Na"	22.989218
"1606164"	205.069618	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Na"	22.989218
"314497"	194.078647	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+H+Na"	23.996494
"707403"	285.118847	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+H+Na"	23.996494
"1462685"	103.038447	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H+Na"	23.996494
"1054716"	69.0280566666667	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2H+Na"	25.00377
"1258460"	215.113886	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+CH3OH+H"	33.033486
"380316"	403.123958	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+K"	38.963158
"740217"	585.204358	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+K"	38.963158
"1540365"	221.043558	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+K"	38.963158
"303822"	202.065617	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+H+K"	39.970434
"696246"	293.105817	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+H+K"	39.970434
"1448243"	111.025417	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H+K"	39.970434
"238304"	406.194626	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+ACN+H"	42.033826
"1219033"	224.114226	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+ACN+H"	42.033826
"1202917"	112.560751	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+ACN+2H"	43.041102
"199068"	409.13196	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+2Na-H"	44.97116
"638632"	591.21236	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+2Na-H"	44.97116
"1138858"	227.05156	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2Na-H"	44.97116
"181054"	205.069618	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+2Na"	45.978436
"619520"	296.109818	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+2Na"	45.978436
"1120839"	114.029418	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2Na"	45.978436
"1405456"	76.3553706666667	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H+2Na"	46.985712
"1438663"	229.093146	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H+HCOOH"	47.012746
"228361"	210.10264	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+3H2O+2H"	56.04448
"1520800"	243.14519	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+IsoProp+H"	61.06479
"415383"	213.056588	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+Na+K"	61.952376
"776378"	304.096788	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+Na+K"	61.952376
"1667238"	122.016388	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Na+K"	61.952376
"253760"	428.176568	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+ACN+Na"	64.015768
"1227927"	246.096168	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+ACN+Na"	64.015768
"1713772"	246.119693	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+NH4+HCOOH"	64.039293
"1182903"	83.6826846666667	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+3Na"	68.967654
"1653889"	251.075088	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Na+HCOOH"	68.994688
"160748"	441.07984	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+2K-H"	76.91904
"601038"	623.16024	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+2K-H"	76.91904
"1089197"	258.99944	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2K-H"	76.91904
"146742"	221.043558	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"2M+2K"	77.926316
"582779"	312.083758	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"3M+2K"	77.926316
"1070451"	130.003358	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2K"	77.926316
"1102934"	261.013992	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2K+H"	78.933592
"1337495"	261.101607	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+DMSO+H"	79.021207
"1007847"	265.140776	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2ACN+H"	83.060376
"1529258"	266.134408	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+IsoProp+Na+H"	84.054008
"995704"	133.074026	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+2ACN+2H"	84.067652
"1593489"	267.049028	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+K+HCOOH"	84.968628
"1419155"	297.080538	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+H+CF3COOH"	115.000138
"1154910"	153.587301	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+3ACN+2H"	125.094202
"1705554"	314.107085	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+NH4+CF3COOH"	132.026685
"1637924"	319.06248	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+Na+CF3COOH"	136.98208
"1577953"	335.03642	"C08290"	"Lathyrine;L-Lathyrine"	"C7H10N4O2"	"182.0804"	"M+K+CF3COOH"	152.95602
"805037"	118.0742	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M"	0
"981851"	99.05581	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-H2O-H"	-19.01839
"74471"	77.7088573333333	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M-3H"	-3.021828
"515126"	117.066924	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M-3H"	-3.021828
"894877"	38.3507906666667	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-3H"	-3.021828
"10415"	117.066924	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M-2H"	-2.014552
"446696"	176.104024	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M-2H"	-2.014552
"819031"	58.029824	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-2H"	-2.014552
"85583"	235.141124	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M-H"	-1.007276
"527327"	353.215324	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M-H"	-1.007276
"901849"	117.066924	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-H"	-1.007276
"54037"	252.167671	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M-2H+NH4"	16.019271
"494689"	370.241871	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M-2H+NH4"	16.019271
"874678"	134.093471	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-2H+NH4"	16.019271
"41486"	257.123066	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M-2H+Na"	20.974666
"476671"	375.197266	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M-2H+Na"	20.974666
"856660"	139.048866	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-2H+Na"	20.974666
"1626194"	139.048866	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Na-2H"	20.974666
"101633"	135.055263	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M-H+Cl"	33.962126
"540098"	194.092363	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M-H+Cl"	33.962126
"931791"	76.018163	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-H+Cl"	33.962126
"278737"	271.117802	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+Cl"	34.969402
"668973"	389.192002	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+Cl"	34.969402
"1286847"	153.043602	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Cl"	34.969402
"29040"	273.097006	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M-2H+K"	36.948606
"469695"	391.171206	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M-2H+K"	36.948606
"844579"	155.022806	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-2H+K"	36.948606
"1569161"	155.022806	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+K-2H"	36.948606
"949390"	163.072394	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-H+HCOOH"	44.998194
"372708"	281.146601	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+HCOOH-H"	44.998201
"353676"	295.162251	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+Hac-H"	59.013851
"1502508"	177.088051	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Hac-H"	59.013851
"967863"	185.054351	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-H+NaCOOH"	66.980151
"120052"	153.043602	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+2Cl"	69.938804
"562891"	212.080702	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+2Cl"	69.938804
"1024040"	94.006502	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2Cl"	69.938804
"1252368"	196.993085	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Br"	78.918885
"1311535"	199.049072	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Cl+HCOOH"	80.974872
"1330123"	221.031029	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Cl+NaCOOH"	102.956829
"926290"	231.059786	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M-H+CF3COOH"	112.985586
"1296800"	267.036464	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Cl+CF3COOH"	148.962264
"1372047"	83.061524	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H-2H2O"	-35.012676
"1390272"	101.0715	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H-H2O"	-17.0027
"293240"	237.155676	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+H"	1.007276
"687848"	355.229876	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+H"	1.007276
"1357634"	119.081476	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H"	1.007276
"130888"	119.081476	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+2H"	2.014552
"568257"	178.118576	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+2H"	2.014552
"1038880"	60.044376	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2H"	2.014552
"206056"	79.7234093333333	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+3H"	3.021828
"649630"	119.081476	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+3H"	3.021828
"1169941"	40.3653426666667	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+3H"	3.021828
"427744"	254.182223	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+NH4"	18.033823
"789835"	372.256423	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+NH4"	18.033823
"1684342"	136.108023	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+NH4"	18.033823
"330550"	127.5947495	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+H+NH4"	19.041099
"725040"	186.6318495	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+H+NH4"	19.041099
"1480316"	68.5576495	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H+NH4"	19.041099
"400459"	259.137618	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+Na"	22.989218
"755988"	377.211818	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+Na"	22.989218
"1607366"	141.063418	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Na"	22.989218
"315217"	130.072447	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+H+Na"	23.996494
"708363"	189.109547	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+H+Na"	23.996494
"1463648"	71.035347	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H+Na"	23.996494
"1053855"	47.6926566666667	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2H+Na"	25.00377
"1257227"	151.107686	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+CH3OH+H"	33.033486
"380430"	275.111558	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+K"	38.963158
"738529"	393.185758	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+K"	38.963158
"1541286"	157.037358	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+K"	38.963158
"299192"	138.059417	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+H+K"	39.970434
"693436"	197.096517	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+H+K"	39.970434
"1450178"	79.022317	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H+K"	39.970434
"242060"	278.182226	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+ACN+H"	42.033826
"1220237"	160.108026	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+ACN+H"	42.033826
"1204121"	80.557651	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+ACN+2H"	43.041102
"199179"	281.11956	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+2Na-H"	44.97116
"635460"	399.19376	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+2Na-H"	44.97116
"1143342"	163.04536	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2Na-H"	44.97116
"182257"	141.063418	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+2Na"	45.978436
"619630"	200.100518	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+2Na"	45.978436
"1122043"	82.026318	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2Na"	45.978436
"1404472"	55.0199706666667	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H+2Na"	46.985712
"1437680"	165.086946	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H+HCOOH"	47.012746
"229561"	146.09644	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+3H2O+2H"	56.04448
"1520909"	179.13899	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+IsoProp+H"	61.06479
"419504"	149.050388	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+Na+K"	61.952376
"779039"	208.087488	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+Na+K"	61.952376
"1669173"	90.013288	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Na+K"	61.952376
"253139"	300.164168	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+ACN+Na"	64.015768
"1229496"	182.089968	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+ACN+Na"	64.015768
"1713637"	182.113493	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+NH4+HCOOH"	64.039293
"1180826"	62.3472846666667	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+3Na"	68.967654
"1654361"	187.068888	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Na+HCOOH"	68.994688
"161224"	313.06744	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+2K-H"	76.91904
"597867"	431.14164	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+2K-H"	76.91904
"1085295"	194.99324	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2K-H"	76.91904
"143204"	157.037358	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"2M+2K"	77.926316
"586413"	216.074458	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"3M+2K"	77.926316
"1069467"	98.000258	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2K"	77.926316
"1101951"	197.007792	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2K+H"	78.933592
"1338336"	197.095407	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+DMSO+H"	79.021207
"1007350"	201.134576	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2ACN+H"	83.060376
"1524994"	202.128208	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+IsoProp+Na+H"	84.054008
"995814"	101.070926	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+2ACN+2H"	84.067652
"1592506"	203.042828	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+K+HCOOH"	84.968628
"1421453"	233.074338	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+H+CF3COOH"	115.000138
"1158301"	121.584201	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+3ACN+2H"	125.094202
"1707851"	250.100885	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+NH4+CF3COOH"	132.026685
"1636940"	255.05628	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+Na+CF3COOH"	136.98208
"1579156"	271.03022	"C08291"	"3-Methylamino-L-alanine"	"C4H10N2O2"	"118.0742"	"M+K+CF3COOH"	152.95602
"812803"	127.0633	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M"	0
"981961"	108.04491	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-H2O-H"	-19.01839
"78107"	83.7015906666667	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M-3H"	-3.021828
"517548"	126.056024	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M-3H"	-3.021828
"893776"	41.3471573333333	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-3H"	-3.021828
"2873"	126.056024	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M-2H"	-2.014552
"441703"	189.587674	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M-2H"	-2.014552
"824607"	62.524374	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-2H"	-2.014552
"83506"	253.119324	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M-H"	-1.007276
"527442"	380.182624	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M-H"	-1.007276
"903049"	126.056024	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-H"	-1.007276
"53053"	270.145871	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M-2H+NH4"	16.019271
"494800"	397.209171	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M-2H+NH4"	16.019271
"874789"	143.082571	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-2H+NH4"	16.019271
"39408"	275.101266	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M-2H+Na"	20.974666
"478969"	402.164566	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M-2H+Na"	20.974666
"860054"	148.037966	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-2H+Na"	20.974666
"1629588"	148.037966	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Na-2H"	20.974666
"101745"	144.044363	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M-H+Cl"	33.962126
"539115"	207.576013	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M-H+Cl"	33.962126
"935913"	80.512713	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-H+Cl"	33.962126
"279941"	289.096002	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+Cl"	34.969402
"663612"	416.159302	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+Cl"	34.969402
"1281489"	162.032702	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Cl"	34.969402
"26233"	291.075206	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M-2H+K"	36.948606
"469077"	418.138506	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M-2H+K"	36.948606
"840318"	164.011906	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-2H+K"	36.948606
"1559432"	164.011906	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+K-2H"	36.948606
"952782"	172.061494	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-H+HCOOH"	44.998194
"370995"	299.124801	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+HCOOH-H"	44.998201
"354881"	313.140451	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+Hac-H"	59.013851
"1501526"	186.077151	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Hac-H"	59.013851
"967973"	194.043451	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-H+NaCOOH"	66.980151
"121256"	162.032702	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+2Cl"	69.938804
"557536"	225.564352	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+2Cl"	69.938804
"1029616"	98.501052	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2Cl"	69.938804
"1248102"	205.982185	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Br"	78.918885
"1316751"	208.038172	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Cl+HCOOH"	80.974872
"1332060"	230.020129	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Cl+NaCOOH"	102.956829
"925671"	240.048886	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M-H+CF3COOH"	112.985586
"1292903"	276.025564	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Cl+CF3COOH"	148.962264
"1373979"	92.050624	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H-2H2O"	-35.012676
"1393662"	110.0606	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H-H2O"	-17.0027
"291163"	255.133876	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+H"	1.007276
"683585"	382.197176	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+H"	1.007276
"1353737"	128.070576	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H"	1.007276
"127837"	128.070576	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+2H"	2.014552
"567643"	191.602226	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+2H"	2.014552
"1040089"	64.538926	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2H"	2.014552
"207626"	85.7161426666667	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+3H"	3.021828
"651929"	128.070576	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+3H"	3.021828
"1171147"	43.3617093333333	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+3H"	3.021828
"430049"	272.160423	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+NH4"	18.033823
"791039"	399.223723	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+NH4"	18.033823
"1683721"	145.097123	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+NH4"	18.033823
"332729"	136.5838495	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+H+NH4"	19.041099
"725880"	200.1154995	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+H+NH4"	19.041099
"1479702"	73.0521995	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H+NH4"	19.041099
"395102"	277.115818	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+Na"	22.989218
"756098"	404.179118	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+Na"	22.989218
"1604196"	150.052518	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Na"	22.989218
"315330"	139.061547	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+H+Na"	23.996494
"708845"	202.593197	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+H+Na"	23.996494
"1465948"	75.529897	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H+Na"	23.996494
"1055912"	50.6890233333333	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2H+Na"	25.00377
"1257831"	160.096786	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+CH3OH+H"	33.033486
"379445"	293.089758	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+K"	38.963158
"742628"	420.153058	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+K"	38.963158
"1547964"	166.026458	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+K"	38.963158
"302221"	147.048517	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+H+K"	39.970434
"696469"	210.580167	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+H+K"	39.970434
"1452476"	83.516867	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H+K"	39.970434
"245453"	296.160426	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+ACN+H"	42.033826
"1218164"	169.097126	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+ACN+H"	42.033826
"1203139"	85.052201	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+ACN+2H"	43.041102
"197105"	299.09776	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+2Na-H"	44.97116
"638852"	426.16106	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+2Na-H"	44.97116
"1137985"	172.03446	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2Na-H"	44.97116
"181276"	150.052518	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+2Na"	45.978436
"619742"	213.584168	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+2Na"	45.978436
"1122518"	86.520868	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2Na"	45.978436
"1411510"	58.0163373333333	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H+2Na"	46.985712
"1437792"	174.076046	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H+HCOOH"	47.012746
"225301"	155.08554	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+3H2O+2H"	56.04448
"1521750"	188.12809	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+IsoProp+H"	61.06479
"421801"	158.039488	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+Na+K"	61.952376
"781339"	221.571138	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+Na+K"	61.952376
"1671471"	94.507838	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Na+K"	61.952376
"259450"	318.142368	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+ACN+Na"	64.015768
"1231796"	191.079068	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+ACN+Na"	64.015768
"1716671"	191.102593	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+NH4+HCOOH"	64.039293
"1184950"	65.3436513333333	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+3Na"	68.967654
"1654111"	196.057988	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Na+HCOOH"	68.994688
"158419"	331.04564	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+2K-H"	76.91904
"598099"	458.10894	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+2K-H"	76.91904
"1086136"	203.98234	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2K-H"	76.91904
"141983"	166.026458	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"2M+2K"	77.926316
"582026"	229.558108	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"3M+2K"	77.926316
"1069946"	102.494808	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2K"	77.926316
"1103156"	205.996892	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2K+H"	78.933592
"1337354"	206.084507	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+DMSO+H"	79.021207
"1016819"	210.123676	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2ACN+H"	83.060376
"1534947"	211.117308	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+IsoProp+Na+H"	84.054008
"1000301"	105.565476	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+2ACN+2H"	84.067652
"1600272"	212.031928	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+K+HCOOH"	84.968628
"1419375"	242.063438	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+H+CF3COOH"	115.000138
"1156225"	126.078751	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+3ACN+2H"	125.094202
"1705774"	259.089985	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+NH4+CF3COOH"	132.026685
"1638142"	264.04538	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+Na+CF3COOH"	136.98208
"1579266"	280.01932	"C08292"	"alpha-(Methylenecyclopropyl)glycine"	"C6H9NO2"	"127.0633"	"M+K+CF3COOH"	152.95602
"808538"	191.043	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M"	0
"988637"	172.02461	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-H2O-H"	-19.01839
"75786"	126.354724	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M-3H"	-3.021828
"515352"	190.035724	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M-3H"	-3.021828
"892058"	62.673724	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-3H"	-3.021828
"4075"	190.035724	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M-2H"	-2.014552
"445822"	285.557224	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M-2H"	-2.014552
"822531"	94.514224	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-2H"	-2.014552
"83616"	381.078724	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M-H"	-1.007276
"523175"	572.121724	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M-H"	-1.007276
"903161"	190.035724	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-H"	-1.007276
"55350"	398.105271	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M-2H+NH4"	16.019271
"496003"	589.148271	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M-2H+NH4"	16.019271
"877086"	207.062271	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-2H+NH4"	16.019271
"39517"	403.060666	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M-2H+Na"	20.974666
"480172"	594.103666	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M-2H+Na"	20.974666
"857974"	212.017666	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-2H+Na"	20.974666
"1628603"	212.017666	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Na-2H"	20.974666
"102948"	208.024063	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M-H+Cl"	33.962126
"542508"	303.545563	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M-H+Cl"	33.962126
"937121"	112.502563	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-H+Cl"	33.962126
"268749"	417.055402	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+Cl"	34.969402
"662990"	608.098402	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+Cl"	34.969402
"1274059"	226.012402	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Cl"	34.969402
"19781"	419.034606	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M-2H+K"	36.948606
"460436"	610.077606	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M-2H+K"	36.948606
"842612"	227.991606	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-2H+K"	36.948606
"1566099"	227.991606	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+K-2H"	36.948606
"951796"	236.041194	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-H+HCOOH"	44.998194
"370012"	427.084201	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+HCOOH-H"	44.998201
"356083"	441.099851	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+Hac-H"	59.013851
"1505646"	250.056851	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Hac-H"	59.013851
"966987"	258.023151	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-H+NaCOOH"	66.980151
"114803"	226.012402	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+2Cl"	69.938804
"557646"	321.533902	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+2Cl"	69.938804
"1029726"	130.490902	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2Cl"	69.938804
"1248213"	269.961885	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Br"	78.918885
"1316860"	272.017872	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Cl+HCOOH"	80.974872
"1331439"	293.999829	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Cl+NaCOOH"	102.956829
"922500"	304.028586	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M-H+CF3COOH"	112.985586
"1299208"	340.005264	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Cl+CF3COOH"	148.962264
"1372996"	156.030324	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H-2H2O"	-35.012676
"1392681"	174.0403	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H-H2O"	-17.0027
"291273"	383.093276	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+H"	1.007276
"683692"	574.136276	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+H"	1.007276
"1352385"	192.050276	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H"	1.007276
"130744"	192.050276	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+2H"	2.014552
"567388"	287.571776	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+2H"	2.014552
"1039102"	96.528776	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2H"	2.014552
"208102"	128.369276	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+3H"	3.021828
"654225"	192.050276	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+3H"	3.021828
"1170166"	64.688276	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+3H"	3.021828
"427964"	400.119823	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+NH4"	18.033823
"789689"	591.162823	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+NH4"	18.033823
"1685655"	209.076823	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+NH4"	18.033823
"337943"	200.5635495	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+H+NH4"	19.041099
"730365"	296.0850495	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+H+NH4"	19.041099
"1480176"	105.0420495	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H+NH4"	19.041099
"395576"	405.075218	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+Na"	22.989218
"757300"	596.118218	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+Na"	22.989218
"1603455"	214.032218	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Na"	22.989218
"317626"	203.041247	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+H+Na"	23.996494
"712234"	298.562747	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+H+Na"	23.996494
"1467150"	107.519747	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H+Na"	23.996494
"1053589"	72.01559	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2H+Na"	25.00377
"1263167"	224.076486	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+CH3OH+H"	33.033486
"385022"	421.049158	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+K"	38.963158
"742739"	612.092158	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+K"	38.963158
"1548074"	230.006158	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+K"	38.963158
"305251"	211.028217	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+H+K"	39.970434
"697669"	306.549717	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+H+K"	39.970434
"1458053"	115.506717	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H+K"	39.970434
"246292"	424.119826	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+ACN+H"	42.033826
"1218271"	233.076826	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+ACN+H"	42.033826
"1203249"	117.042051	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+ACN+2H"	43.041102
"200496"	427.05716	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+2Na-H"	44.97116
"642730"	618.10016	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+2Na-H"	44.97116
"1140282"	236.01416	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2Na-H"	44.97116
"180291"	214.032218	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+2Na"	45.978436
"623132"	309.553718	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+2Na"	45.978436
"1128824"	118.510718	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2Na"	45.978436
"1412229"	79.342904	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H+2Na"	46.985712
"1443006"	238.055746	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H+HCOOH"	47.012746
"233070"	219.06524	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+3H2O+2H"	56.04448
"1520767"	252.10779	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+IsoProp+H"	61.06479
"420819"	222.019188	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+Na+K"	61.952376
"776709"	317.540688	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+Na+K"	61.952376
"1671581"	126.497688	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Na+K"	61.952376
"255184"	446.101768	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+ACN+Na"	64.015768
"1227894"	255.058768	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+ACN+Na"	64.015768
"1718611"	255.082293	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+NH4+HCOOH"	64.039293
"1181774"	86.670218	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+3Na"	68.967654
"1654949"	260.037688	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Na+HCOOH"	68.994688
"158165"	459.00504	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+2K-H"	76.91904
"597728"	650.04804	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+2K-H"	76.91904
"1084549"	267.96204	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2K-H"	76.91904
"143427"	230.006158	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"2M+2K"	77.926316
"582623"	325.527658	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"3M+2K"	77.926316
"1070178"	134.484658	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2K"	77.926316
"1103266"	269.976592	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2K+H"	78.933592
"1335921"	270.064207	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+DMSO+H"	79.021207
"1015836"	274.103376	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2ACN+H"	83.060376
"1536149"	275.097008	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+IsoProp+Na+H"	84.054008
"1000410"	137.555326	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+2ACN+2H"	84.067652
"1600383"	276.011628	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+K+HCOOH"	84.968628
"1422760"	306.043138	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+H+CF3COOH"	115.000138
"1155241"	158.068601	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+3ACN+2H"	125.094202
"1703697"	323.069685	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+NH4+CF3COOH"	132.026685
"1637523"	328.02508	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+Na+CF3COOH"	136.98208
"1579376"	343.99902	"C08294"	"O-Oxalylhomoserine;O-Oxalyl-L-homoserine"	"C6H9NO6"	"191.043"	"M+K+CF3COOH"	152.95602
"810839"	177.046	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M"	0
"988745"	158.02761	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-H2O-H"	-19.01839
"77722"	117.023390666667	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M-3H"	-3.021828
"517649"	176.038724	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M-3H"	-3.021828
"888891"	58.0080573333333	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-3H"	-3.021828
"5278"	176.038724	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M-2H"	-2.014552
"447026"	264.561724	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M-2H"	-2.014552
"825921"	87.515724	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-2H"	-2.014552
"88097"	353.084724	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M-H"	-1.007276
"524377"	530.130724	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M-H"	-1.007276
"903273"	176.038724	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-H"	-1.007276
"58741"	370.111271	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M-2H+NH4"	16.019271
"499398"	547.157271	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M-2H+NH4"	16.019271
"875009"	193.065271	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-2H+NH4"	16.019271
"44003"	375.066666	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M-2H+Na"	20.974666
"483564"	552.112666	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M-2H+Na"	20.974666
"856991"	198.020666	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-2H+Na"	20.974666
"1629807"	198.020666	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Na-2H"	20.974666
"103058"	194.027063	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M-H+Cl"	33.962126
"540438"	282.550063	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M-H+Cl"	33.962126
"928119"	105.504063	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-H+Cl"	33.962126
"272506"	389.061402	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+Cl"	34.969402
"663831"	566.107402	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+Cl"	34.969402
"1274778"	212.015402	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Cl"	34.969402
"23169"	391.040606	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M-2H+K"	36.948606
"458355"	568.086606	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M-2H+K"	36.948606
"842720"	213.994606	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-2H+K"	36.948606
"1566208"	213.994606	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+K-2H"	36.948606
"951904"	222.044194	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-H+HCOOH"	44.998194
"371215"	399.090201	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+HCOOH-H"	44.998201
"355098"	413.105851	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+Hac-H"	59.013851
"1502837"	236.059851	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Hac-H"	59.013851
"969285"	244.026151	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-H+NaCOOH"	66.980151
"124390"	212.015402	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+2Cl"	69.938804
"557753"	300.538402	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+2Cl"	69.938804
"1030928"	123.492402	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2Cl"	69.938804
"1250509"	255.964885	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Br"	78.918885
"1312955"	258.020872	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Cl+HCOOH"	80.974872
"1329360"	280.002829	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Cl+NaCOOH"	102.956829
"913497"	290.031586	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M-H+CF3COOH"	112.985586
"1293851"	326.008264	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Cl+CF3COOH"	148.962264
"1373109"	142.033324	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H-2H2O"	-35.012676
"1384039"	160.0433	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H-H2O"	-17.0027
"285548"	355.099276	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+H"	1.007276
"676146"	532.145276	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+H"	1.007276
"1353590"	178.053276	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H"	1.007276
"128669"	178.053276	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+2H"	2.014552
"567497"	266.576276	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+2H"	2.014552
"1038117"	89.530276	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2H"	2.014552
"206751"	119.037942666667	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+3H"	3.021828
"646675"	178.053276	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+3H"	3.021828
"1172462"	60.0226093333333	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+3H"	3.021828
"425157"	372.125823	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+NH4"	18.033823
"788705"	549.171823	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+NH4"	18.033823
"1681754"	195.079823	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+NH4"	18.033823
"336962"	186.5665495	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+H+NH4"	19.041099
"725737"	275.0895495	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+H+NH4"	19.041099
"1482110"	98.0435495	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H+NH4"	19.041099
"399700"	377.081218	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+Na"	22.989218
"757410"	554.127218	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+Na"	22.989218
"1603078"	200.035218	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Na"	22.989218
"314693"	189.044247	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+H+Na"	23.996494
"707483"	277.567247	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+H+Na"	23.996494
"1463979"	100.521247	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H+Na"	23.996494
"1056131"	67.3499233333333	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2H+Na"	25.00377
"1259995"	210.079486	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+CH3OH+H"	33.033486
"381853"	393.055158	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+K"	38.963158
"745036"	570.101158	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+K"	38.963158
"1549277"	216.009158	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+K"	38.963158
"305358"	197.031217	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+H+K"	39.970434
"702156"	285.554217	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+H+K"	39.970434
"1459988"	108.508217	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H+K"	39.970434
"250777"	396.125826	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+ACN+H"	42.033826
"1220569"	219.079826	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+ACN+H"	42.033826
"1205546"	110.043551	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+ACN+2H"	43.041102
"196234"	399.06316	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+2Na-H"	44.97116
"639072"	576.10916	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+2Na-H"	44.97116
"1139299"	222.01716	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2Na-H"	44.97116
"185871"	200.035218	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+2Na"	45.978436
"621056"	288.558218	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+2Na"	45.978436
"1128569"	111.512218	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2Na"	45.978436
"1412460"	74.6772373333333	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H+2Na"	46.985712
"1442388"	224.058746	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H+HCOOH"	47.012746
"232086"	205.06824	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+3H2O+2H"	56.04448
"1521241"	238.11079	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+IsoProp+H"	61.06479
"418740"	208.022188	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+Na+K"	61.952376
"778642"	296.545188	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+Na+K"	61.952376
"1668780"	119.499188	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Na+K"	61.952376
"254936"	418.107768	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+ACN+Na"	64.015768
"1230929"	241.061768	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+ACN+Na"	64.015768
"1716899"	241.085293	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+NH4+HCOOH"	64.039293
"1185169"	82.0045513333333	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+3Na"	68.967654
"1652507"	246.040688	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Na+HCOOH"	68.994688
"161924"	431.01104	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+2K-H"	76.91904
"602578"	608.05704	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+2K-H"	76.91904
"1085628"	253.96504	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2K-H"	76.91904
"142686"	216.009158	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"2M+2K"	77.926316
"582244"	304.532158	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"3M+2K"	77.926316
"1072352"	127.486158	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2K"	77.926316
"1102281"	255.979592	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2K+H"	78.933592
"1336716"	256.067207	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+DMSO+H"	79.021207
"1008292"	260.106376	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2ACN+H"	83.060376
"1527512"	261.100008	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+IsoProp+Na+H"	84.054008
"995055"	130.556826	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+2ACN+2H"	84.067652
"1597212"	262.014628	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+K+HCOOH"	84.968628
"1421781"	292.046138	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+H+CF3COOH"	115.000138
"1157539"	151.070101	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+3ACN+2H"	125.094202
"1699435"	309.072685	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+NH4+CF3COOH"	132.026685
"1647117"	314.02808	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+Na+CF3COOH"	136.98208
"1578393"	330.00202	"C08295"	"S-(E)-Prop-1-enyl-L-cysteine S-oxide"	"C6H11NO3S"	"177.046"	"M+K+CF3COOH"	152.95602
"808757"	189.0386	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M"	0
"988491"	170.02021	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-H2O-H"	-19.01839
"68351"	125.018457333333	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M-3H"	-3.021828
"515574"	188.031324	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M-3H"	-3.021828
"891190"	62.0055906666667	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-3H"	-3.021828
"3202"	188.031324	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M-2H"	-2.014552
"453697"	282.550624	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M-2H"	-2.014552
"827126"	93.512024	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-2H"	-2.014552
"88208"	377.069924	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M-H"	-1.007276
"523395"	566.108524	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M-H"	-1.007276
"906662"	188.031324	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-H"	-1.007276
"58850"	394.096471	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M-2H+NH4"	16.019271
"497316"	583.135071	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M-2H+NH4"	16.019271
"876211"	205.057871	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-2H+NH4"	16.019271
"38644"	399.051866	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M-2H+Na"	20.974666
"479298"	588.090466	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M-2H+Na"	20.974666
"859290"	210.013266	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-2H+Na"	20.974666
"1628823"	210.013266	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Na-2H"	20.974666
"105354"	206.019663	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M-H+Cl"	33.962126
"541641"	300.538963	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M-H+Cl"	33.962126
"935155"	111.500363	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-H+Cl"	33.962126
"269699"	413.046602	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+Cl"	34.969402
"662849"	602.085202	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+Cl"	34.969402
"1275254"	224.008002	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Cl"	34.969402
"23281"	415.025806	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M-2H+K"	36.948606
"460654"	604.064406	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M-2H+K"	36.948606
"838456"	225.987206	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-2H+K"	36.948606
"1568506"	225.987206	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+K-2H"	36.948606
"953109"	234.036794	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-H+HCOOH"	44.998194
"373514"	423.075401	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+HCOOH-H"	44.998201
"356301"	437.091051	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+Hac-H"	59.013851
"1494194"	248.052451	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Hac-H"	59.013851
"971583"	256.018751	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-H+NaCOOH"	66.980151
"115024"	224.008002	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+2Cl"	69.938804
"563332"	318.527302	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+2Cl"	69.938804
"1035414"	129.488702	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2Cl"	69.938804
"1246245"	267.957485	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Br"	78.918885
"1309787"	270.013472	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Cl+HCOOH"	80.974872
"1331659"	291.995429	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Cl+NaCOOH"	102.956829
"917616"	302.024186	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M-H+CF3COOH"	112.985586
"1291409"	338.000864	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Cl+CF3COOH"	148.962264
"1376501"	154.025924	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H-2H2O"	-35.012676
"1392902"	172.0359	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H-H2O"	-17.0027
"286022"	379.084476	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+H"	1.007276
"679540"	568.123076	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+H"	1.007276
"1352969"	190.045876	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H"	1.007276
"127318"	190.045876	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+2H"	2.014552
"567361"	284.565176	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+2H"	2.014552
"1038963"	95.526576	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2H"	2.014552
"208686"	127.033009333333	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+3H"	3.021828
"650071"	190.045876	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+3H"	3.021828
"1170385"	64.0201426666667	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+3H"	3.021828
"424901"	396.111023	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+NH4"	18.033823
"791370"	585.149623	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+NH4"	18.033823
"1682593"	207.072423	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+NH4"	18.033823
"333791"	198.5591495	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+H+NH4"	19.041099
"724388"	293.0784495	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+H+NH4"	19.041099
"1481127"	104.0398495	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H+NH4"	19.041099
"399807"	401.066418	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+Na"	22.989218
"760802"	590.105018	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+Na"	22.989218
"1603099"	212.027818	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Na"	22.989218
"318938"	201.036847	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+H+Na"	23.996494
"711362"	295.556147	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+H+Na"	23.996494
"1463115"	106.517547	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H+Na"	23.996494
"1057334"	71.3474566666667	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2H+Na"	25.00377
"1260105"	222.072086	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+CH3OH+H"	33.033486
"380871"	417.040358	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+K"	38.963158
"746240"	606.078958	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+K"	38.963158
"1549388"	228.001758	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+K"	38.963158
"308751"	209.023817	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+H+K"	39.970434
"700079"	303.543117	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+H+K"	39.970434
"1456086"	114.504517	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H+K"	39.970434
"244689"	420.111026	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+ACN+H"	42.033826
"1221774"	231.072426	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+ACN+H"	42.033826
"1206751"	116.039851	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+ACN+2H"	43.041102
"201807"	423.04836	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+2Na-H"	44.97116
"643802"	612.08696	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+2Na-H"	44.97116
"1140502"	234.00976	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2Na-H"	44.97116
"185979"	212.027818	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+2Na"	45.978436
"626269"	306.547118	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+2Na"	45.978436
"1131305"	117.508518	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2Na"	45.978436
"1414104"	78.6747706666667	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H+2Na"	46.985712
"1442497"	236.051346	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H+HCOOH"	47.012746
"233289"	217.06084	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+3H2O+2H"	56.04448
"1518071"	250.10339	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+IsoProp+H"	61.06479
"417757"	220.014788	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+Na+K"	61.952376
"776929"	314.534088	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+Na+K"	61.952376
"1669983"	125.495488	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Na+K"	61.952376
"257232"	442.092968	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+ACN+Na"	64.015768
"1234319"	253.054368	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+ACN+Na"	64.015768
"1717739"	253.077893	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+NH4+HCOOH"	64.039293
"1185280"	86.0020846666667	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+3Na"	68.967654
"1651892"	258.033288	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Na+HCOOH"	68.994688
"159848"	454.99624	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+2K-H"	76.91904
"598557"	644.03484	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+2K-H"	76.91904
"1086345"	265.95764	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2K-H"	76.91904
"143043"	228.001758	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"2M+2K"	77.926316
"582597"	322.521058	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"3M+2K"	77.926316
"1069543"	133.482458	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2K"	77.926316
"1101661"	267.972192	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2K+H"	78.933592
"1337807"	268.059807	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+DMSO+H"	79.021207
"1008766"	272.098976	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2ACN+H"	83.060376
"1528715"	273.092608	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+IsoProp+Na+H"	84.054008
"996258"	136.553126	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+2ACN+2H"	84.067652
"1595135"	274.007228	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+K+HCOOH"	84.968628
"1419704"	304.038738	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+H+CF3COOH"	115.000138
"1159836"	157.066401	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+3ACN+2H"	125.094202
"1700638"	321.065285	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+NH4+CF3COOH"	132.026685
"1646134"	326.02068	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+Na+CF3COOH"	136.98208
"1578503"	341.99462	"C08296"	"Quisqualic acid"	"C5H7N3O5"	"189.0386"	"M+K+CF3COOH"	152.95602
"808867"	160.0484	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M"	0
"987508"	141.03001	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-H2O-H"	-19.01839
"68461"	105.691657333333	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M-3H"	-3.021828
"517505"	159.041124	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M-3H"	-3.021828
"893484"	52.3421906666667	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-3H"	-3.021828
"8780"	159.041124	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M-2H"	-2.014552
"451618"	239.065324	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M-2H"	-2.014552
"830514"	79.016924	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-2H"	-2.014552
"88318"	319.089524	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M-H"	-1.007276
"522412"	479.137924	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M-H"	-1.007276
"903492"	159.041124	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-H"	-1.007276
"58960"	336.116071	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M-2H+NH4"	16.019271
"493054"	496.164471	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M-2H+NH4"	16.019271
"874135"	176.067671	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-2H+NH4"	16.019271
"37661"	341.071466	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M-2H+Na"	20.974666
"479408"	501.119866	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M-2H+Na"	20.974666
"858307"	181.023066	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-2H+Na"	20.974666
"1629663"	181.023066	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Na-2H"	20.974666
"102185"	177.029463	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M-H+Cl"	33.962126
"539564"	257.053663	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M-H+Cl"	33.962126
"935265"	97.005263	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-H+Cl"	33.962126
"268352"	355.066202	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+Cl"	34.969402
"661504"	515.114602	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+Cl"	34.969402
"1276461"	195.017802	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Cl"	34.969402
"23391"	357.045406	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M-2H+K"	36.948606
"466233"	517.093806	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M-2H+K"	36.948606
"841847"	196.997006	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-2H+K"	36.948606
"1566429"	196.997006	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+K-2H"	36.948606
"949209"	205.046594	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-H+HCOOH"	44.998194
"371435"	365.095001	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+HCOOH-H"	44.998201
"352766"	379.110651	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+Hac-H"	59.013851
"1494671"	219.062251	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Hac-H"	59.013851
"966226"	227.028551	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-H+NaCOOH"	66.980151
"114404"	195.017802	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+2Cl"	69.938804
"561255"	275.042002	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+2Cl"	69.938804
"1032244"	114.993602	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2Cl"	69.938804
"1245261"	238.967285	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Br"	78.918885
"1309897"	241.023272	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Cl+HCOOH"	80.974872
"1330675"	263.005229	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Cl+NaCOOH"	102.956829
"919548"	273.033986	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M-H+CF3COOH"	112.985586
"1291883"	309.010664	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Cl+CF3COOH"	148.962264
"1369681"	125.035724	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H-2H2O"	-35.012676
"1390825"	143.0457	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H-H2O"	-17.0027
"283824"	321.104076	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+H"	1.007276
"681838"	481.152476	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+H"	1.007276
"1352107"	161.055676	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H"	1.007276
"128522"	161.055676	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+2H"	2.014552
"567841"	241.079876	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+2H"	2.014552
"1039802"	81.031476	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2H"	2.014552
"208796"	107.706209333333	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+3H"	3.021828
"647995"	161.055676	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+3H"	3.021828
"1163683"	54.3567426666667	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+3H"	3.021828
"427202"	338.130623	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+NH4"	18.033823
"789656"	498.179023	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+NH4"	18.033823
"1683433"	178.082223	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+NH4"	18.033823
"336088"	169.5689495	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+H+NH4"	19.041099
"727416"	249.5931495	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+H+NH4"	19.041099
"1481237"	89.5447495	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H+NH4"	19.041099
"397730"	343.086018	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+Na"	22.989218
"758727"	503.134418	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+Na"	22.989218
"1603054"	183.037618	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Na"	22.989218
"316861"	172.046647	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+H+Na"	23.996494
"712566"	252.070847	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+H+Na"	23.996494
"1466384"	92.022447	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H+Na"	23.996494
"1055256"	61.6840566666667	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2H+Na"	25.00377
"1261309"	193.081886	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+CH3OH+H"	33.033486
"382072"	359.059958	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+K"	38.963158
"743069"	519.108358	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+K"	38.963158
"1545123"	199.011558	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+K"	38.963158
"304486"	180.033617	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+H+K"	39.970434
"696908"	260.057817	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+H+K"	39.970434
"1454011"	100.009417	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H+K"	39.970434
"243707"	362.130626	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+ACN+H"	42.033826
"1218604"	202.082226	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+ACN+H"	42.033826
"1206861"	101.544751	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+ACN+2H"	43.041102
"201917"	365.06796	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+2Na-H"	44.97116
"643793"	525.11636	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+2Na-H"	44.97116
"1145837"	205.01956	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2Na-H"	44.97116
"181715"	183.037618	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+2Na"	45.978436
"626379"	263.061818	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+2Na"	45.978436
"1129156"	103.013418	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2Na"	45.978436
"1413615"	69.0113706666667	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H+2Na"	46.985712
"1438234"	207.061146	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H+HCOOH"	47.012746
"227931"	188.07064	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+3H2O+2H"	56.04448
"1515992"	221.11319	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+IsoProp+H"	61.06479
"414587"	191.024588	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+Na+K"	61.952376
"782143"	271.048788	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+Na+K"	61.952376
"1668636"	111.000388	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Na+K"	61.952376
"257342"	384.112568	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+ACN+Na"	64.015768
"1234429"	224.064168	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+ACN+Na"	64.015768
"1714932"	224.087693	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+NH4+HCOOH"	64.039293
"1188671"	76.3386846666667	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+3Na"	68.967654
"1653096"	229.043088	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Na+HCOOH"	68.994688
"163238"	397.01584	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+2K-H"	76.91904
"598546"	557.06424	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+2K-H"	76.91904
"1085483"	236.96744	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2K-H"	76.91904
"143028"	199.011558	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"2M+2K"	77.926316
"583073"	279.035758	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"3M+2K"	77.926316
"1069773"	118.987358	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2K"	77.926316
"1101404"	238.981992	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2K+H"	78.933592
"1337552"	239.069607	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+DMSO+H"	79.021207
"1006080"	243.108776	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2ACN+H"	83.060376
"1526273"	244.102408	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+IsoProp+Na+H"	84.054008
"997462"	122.058026	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+2ACN+2H"	84.067652
"1593058"	245.017028	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+K+HCOOH"	84.968628
"1418721"	275.048538	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+H+CF3COOH"	115.000138
"1159946"	142.571301	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+3ACN+2H"	125.094202
"1699655"	292.075085	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+NH4+CF3COOH"	132.026685
"1647337"	297.03048	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+Na+CF3COOH"	136.98208
"1579706"	313.00442	"C08298"	"Tricholomic acid;alpha-Amino-3-oxo-5-isoxazolidineacetic acid"	"C5H8N2O4"	"160.0484"	"M+K+CF3COOH"	152.95602
"808977"	204.1263	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M"	0
"984701"	185.10791	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-H2O-H"	-19.01839
"68571"	135.076924	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M-3H"	-3.021828
"516523"	203.119024	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M-3H"	-3.021828
"893230"	67.034824	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-3H"	-3.021828
"8890"	203.119024	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M-2H"	-2.014552
"450635"	305.182174	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M-2H"	-2.014552
"828437"	101.055874	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-2H"	-2.014552
"90615"	407.245324	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M-H"	-1.007276
"524708"	611.371624	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M-H"	-1.007276
"902508"	203.119024	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-H"	-1.007276
"53601"	424.271871	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M-2H+NH4"	16.019271
"493164"	628.398171	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M-2H+NH4"	16.019271
"874245"	220.145571	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-2H+NH4"	16.019271
"36677"	429.227266	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M-2H+Na"	20.974666
"478424"	633.353566	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M-2H+Na"	20.974666
"859511"	225.100966	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-2H+Na"	20.974666
"1629773"	225.100966	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Na-2H"	20.974666
"104482"	221.107363	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M-H+Cl"	33.962126
"538581"	323.170513	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M-H+Cl"	33.962126
"938655"	119.044213	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-H+Cl"	33.962126
"268463"	443.222002	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+Cl"	34.969402
"663074"	647.348302	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+Cl"	34.969402
"1280946"	239.095702	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Cl"	34.969402
"24595"	445.201206	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M-2H+K"	36.948606
"466342"	649.327506	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M-2H+K"	36.948606
"841957"	241.074906	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-2H+K"	36.948606
"1566539"	241.074906	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+K-2H"	36.948606
"948955"	249.124494	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-H+HCOOH"	44.998194
"371545"	453.250801	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+HCOOH-H"	44.998201
"351055"	467.266451	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+Hac-H"	59.013851
"1494781"	263.140151	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Hac-H"	59.013851
"961963"	271.106451	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-H+NaCOOH"	66.980151
"111964"	239.095702	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+2Cl"	69.938804
"561365"	341.158852	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+2Cl"	69.938804
"1036364"	137.032552	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2Cl"	69.938804
"1244642"	283.045185	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Br"	78.918885
"1310007"	285.101172	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Cl+HCOOH"	80.974872
"1328598"	307.083129	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Cl+NaCOOH"	102.956829
"921845"	317.111886	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M-H+CF3COOH"	112.985586
"1297461"	353.088564	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Cl+CF3COOH"	148.962264
"1371614"	169.113624	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H-2H2O"	-35.012676
"1389842"	187.1236	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H-H2O"	-17.0027
"285880"	409.259876	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+H"	1.007276
"681951"	613.386176	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+H"	1.007276
"1355376"	205.133576	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H"	1.007276
"127902"	205.133576	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+2H"	2.014552
"568559"	307.196726	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+2H"	2.014552
"1039912"	103.070426	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2H"	2.014552
"207813"	137.091476	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+3H"	3.021828
"650292"	205.133576	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+3H"	3.021828
"1164037"	69.049376	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+3H"	3.021828
"427312"	426.286423	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+NH4"	18.033823
"789402"	630.412723	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+NH4"	18.033823
"1683544"	222.160123	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+NH4"	18.033823
"338385"	213.6468495	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+H+NH4"	19.041099
"727526"	315.7099995	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+H+NH4"	19.041099
"1483535"	111.5836995	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H+NH4"	19.041099
"397843"	431.241818	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+Na"	22.989218
"756650"	635.368118	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+Na"	22.989218
"1610214"	227.115518	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Na"	22.989218
"315268"	216.124547	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+H+Na"	23.996494
"712676"	318.187697	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+H+Na"	23.996494
"1463214"	114.061397	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H+Na"	23.996494
"1053218"	76.37669	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2H+Na"	25.00377
"1260325"	237.159786	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+CH3OH+H"	33.033486
"381089"	447.215758	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+K"	38.963158
"743179"	651.342058	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+K"	38.963158
"1545235"	243.089458	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+K"	38.963158
"304596"	224.111517	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+H+K"	39.970434
"698112"	326.174667	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+H+K"	39.970434
"1454122"	122.048367	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H+K"	39.970434
"244910"	450.286426	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+ACN+H"	42.033826
"1221994"	246.160126	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+ACN+H"	42.033826
"1206243"	123.583701	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+ACN+2H"	43.041102
"203122"	453.22376	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+2Na-H"	44.97116
"643416"	657.35006	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+2Na-H"	44.97116
"1146315"	249.09746	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2Na-H"	44.97116
"185471"	227.115518	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+2Na"	45.978436
"625397"	329.178668	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+2Na"	45.978436
"1127449"	125.052368	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2Na"	45.978436
"1409513"	83.704004	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H+2Na"	46.985712
"1441624"	251.139046	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H+HCOOH"	47.012746
"225854"	232.14854	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+3H2O+2H"	56.04448
"1515009"	265.19109	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+IsoProp+H"	61.06479
"414697"	235.102488	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+Na+K"	61.952376
"777879"	337.165638	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+Na+K"	61.952376
"1670932"	133.039338	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Na+K"	61.952376
"257452"	472.268368	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+ACN+Na"	64.015768
"1234539"	268.142068	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+ACN+Na"	64.015768
"1714679"	268.165593	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+NH4+HCOOH"	64.039293
"1182220"	91.031318	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+3Na"	68.967654
"1652112"	273.120988	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Na+HCOOH"	68.994688
"163348"	485.17164	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+2K-H"	76.91904
"598167"	689.29794	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+2K-H"	76.91904
"1085471"	281.04534	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2K-H"	76.91904
"145327"	243.089458	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"2M+2K"	77.926316
"582941"	345.152608	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"3M+2K"	77.926316
"1069033"	141.026308	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2K"	77.926316
"1100538"	283.059892	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2K+H"	78.933592
"1337052"	283.147507	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+DMSO+H"	79.021207
"1006433"	287.186676	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2ACN+H"	83.060376
"1527113"	288.180308	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+IsoProp+Na+H"	84.054008
"994656"	144.096976	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+2ACN+2H"	84.067652
"1590982"	289.094928	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+K+HCOOH"	84.968628
"1415179"	319.126438	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+H+CF3COOH"	115.000138
"1150213"	164.610251	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+3ACN+2H"	125.094202
"1699765"	336.152985	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+NH4+CF3COOH"	132.026685
"1646354"	341.10838	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+Na+CF3COOH"	136.98208
"1579816"	357.08232	"C08299"	"Bufotenine;Bufotenin;NN-Dimethylserotonin"	"C12H16N2O"	"204.1263"	"M+K+CF3COOH"	152.95602
"809087"	151.0997	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M"	0
"985907"	132.08131	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"68681"	99.7258573333333	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"517725"	150.092424	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"886052"	49.3592906666667	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"4626"	150.092424	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"446372"	225.642274	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"828547"	74.542574	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"85258"	301.192124	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"524819"	452.291824	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"902620"	150.092424	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"56994"	318.218671	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"494366"	469.318371	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"872170"	167.118971	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"42260"	323.174066	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"479633"	474.273766	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"857435"	172.074366	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1624782"	172.074366	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"105689"	168.080763	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"538691"	243.630613	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"932206"	92.530913	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"270761"	337.168802	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"661239"	488.268502	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1272827"	186.069102	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"23614"	339.148006	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"464267"	490.247706	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"845718"	188.048306	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1569571"	188.048306	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"954900"	196.097894	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"367284"	347.197601	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"353351"	361.213251	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1499995"	210.113551	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"963167"	218.079851	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"117544"	186.069102	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"561478"	261.618952	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1026999"	110.519252	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1242565"	230.018585	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1311213"	232.074572	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1330534"	254.056529	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"917585"	264.085286	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1298668"	300.061964	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1377558"	116.087024	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1387038"	134.097	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"285991"	303.206676	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"677683"	454.306376	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1353664"	152.106976	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"127287"	152.106976	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"569765"	227.656826	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1040022"	76.557126	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"215215"	101.740409333333	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"652589"	152.106976	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1164514"	51.3738426666667	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"427425"	320.233223	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"791699"	471.332923	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1686936"	169.133523	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"335216"	160.6202495	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"725451"	236.1700995	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1479271"	85.0703995	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"397952"	325.188618	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"757853"	476.288318	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1604856"	174.088918	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"317083"	163.097947	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"710599"	238.647797	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1465513"	87.548097	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1055477"	58.7011566666667	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1263718"	184.133186	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"387762"	341.162558	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"744387"	492.262258	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1547531"	190.062858	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"304342"	171.084917	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"697129"	246.634767	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1454230"	95.535067	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"248669"	344.233226	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1223565"	193.133526	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1207447"	97.070401	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"203114"	347.17056	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"642795"	498.27026	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1145091"	196.07086	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"185216"	174.088918	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"625147"	249.638768	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1129016"	98.539068	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1412540"	66.0284706666667	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1443198"	198.112446	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"230706"	179.12194	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1518768"	212.16449	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"418090"	182.075888	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"781269"	257.625738	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1668858"	106.526038	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"260484"	366.215168	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1236108"	215.115468	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1722809"	215.138993	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1183054"	73.3557846666667	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1657322"	220.094388	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"162361"	379.11844	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"601923"	530.21814	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1084855"	228.01874	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"142885"	190.062858	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"581958"	265.612708	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1069266"	114.513008	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1100412"	230.033292	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1338015"	230.120907	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1010922"	234.160076	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1526860"	235.153708	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"991485"	117.583676	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1588540"	236.068328	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1414601"	266.099838	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1150323"	138.096951	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1698051"	283.126385	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1649623"	288.08178	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1579926"	304.05572	"C08300"	"D-Cathine;Cathine;()-Norpseudoephedrine"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"803000"	149.0841	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M"	0
"977261"	130.06571	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-H2O-H"	-19.01839
"77538"	98.382124	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M-3H"	-3.021828
"516007"	148.076824	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M-3H"	-3.021828
"882880"	48.687424	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-3H"	-3.021828
"5831"	148.076824	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M-2H"	-2.014552
"443198"	222.618874	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M-2H"	-2.014552
"823190"	73.534774	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-2H"	-2.014552
"84271"	297.160924	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M-H"	-1.007276
"530391"	446.245024	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M-H"	-1.007276
"908192"	148.076824	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-H"	-1.007276
"58194"	314.187471	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M-2H+NH4"	16.019271
"496661"	463.271571	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M-2H+NH4"	16.019271
"873370"	165.103371	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-2H+NH4"	16.019271
"42366"	319.142866	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M-2H+Na"	20.974666
"479741"	468.226966	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M-2H+Na"	20.974666
"857542"	170.058766	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-2H+Na"	20.974666
"1624891"	170.058766	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Na-2H"	20.974666
"105796"	166.065163	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M-H+Cl"	33.962126
"536613"	240.607213	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M-H+Cl"	33.962126
"929034"	91.523113	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-H+Cl"	33.962126
"270872"	333.137602	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+Cl"	34.969402
"662201"	482.221702	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+Cl"	34.969402
"1273097"	184.053502	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Cl"	34.969402
"19348"	335.116806	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M-2H+K"	36.948606
"461096"	484.200906	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M-2H+K"	36.948606
"847282"	186.032706	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-2H+K"	36.948606
"1565666"	186.032706	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+K-2H"	36.948606
"945893"	194.082294	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-H+HCOOH"	44.998194
"369579"	343.166401	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+HCOOH-H"	44.998201
"354553"	357.182051	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+Hac-H"	59.013851
"1501198"	208.097951	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Hac-H"	59.013851
"966555"	216.064251	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-H+NaCOOH"	66.980151
"117654"	184.053502	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+2Cl"	69.938804
"561587"	258.595552	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+2Cl"	69.938804
"1024191"	109.511452	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2Cl"	69.938804
"1242310"	228.002985	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Br"	78.918885
"1309134"	230.058972	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Cl+HCOOH"	80.974872
"1326632"	252.040929	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Cl+NaCOOH"	102.956829
"917694"	262.069686	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M-H+CF3COOH"	112.985586
"1293306"	298.046364	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Cl+CF3COOH"	148.962264
"1370379"	114.071424	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H-2H2O"	-35.012676
"1390062"	132.0814	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H-H2O"	-17.0027
"283912"	299.175476	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+H"	1.007276
"681077"	448.259576	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+H"	1.007276
"1352800"	150.091376	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H"	1.007276
"128123"	150.091376	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+2H"	2.014552
"569875"	224.633426	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+2H"	2.014552
"1040133"	75.549326	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2H"	2.014552
"214232"	100.396676	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+3H"	3.021828
"652702"	150.091376	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+3H"	3.021828
"1166448"	50.701976	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+3H"	3.021828
"431907"	316.202023	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+NH4"	18.033823
"792902"	465.286123	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+NH4"	18.033823
"1692514"	167.117923	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+NH4"	18.033823
"339699"	158.6046495	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+H+NH4"	19.041099
"729933"	233.1466995	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+H+NH4"	19.041099
"1482661"	84.0625995	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H+NH4"	19.041099
"401342"	321.157418	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+Na"	22.989218
"760150"	470.241518	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+Na"	22.989218
"1610436"	172.073318	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Na"	22.989218
"319382"	161.082347	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+H+Na"	23.996494
"713992"	235.624397	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+H+Na"	23.996494
"1466717"	86.540297	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H+Na"	23.996494
"1061055"	58.02929	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2H+Na"	25.00377
"1262736"	182.117586	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+CH3OH+H"	33.033486
"390060"	337.131358	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+K"	38.963158
"743404"	486.215458	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+K"	38.963158
"1549826"	188.047258	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+K"	38.963158
"304818"	169.069317	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+H+K"	39.970434
"701249"	243.611367	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+H+K"	39.970434
"1455434"	94.527267	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H+K"	39.970434
"249872"	340.202026	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+ACN+H"	42.033826
"1224526"	191.117926	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+ACN+H"	42.033826
"1207557"	96.062601	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+ACN+2H"	43.041102
"203468"	343.13936	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+2Na-H"	44.97116
"643152"	492.22346	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+2Na-H"	44.97116
"1144957"	194.05526	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2Na-H"	44.97116
"186422"	172.073318	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+2Na"	45.978436
"625622"	246.615368	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+2Na"	45.978436
"1128398"	97.531268	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2Na"	45.978436
"1413381"	65.356604	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H+2Na"	46.985712
"1441483"	196.096846	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H+HCOOH"	47.012746
"231910"	177.10634	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+3H2O+2H"	56.04448
"1519242"	210.14889	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+IsoProp+H"	61.06479
"422213"	180.060288	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+Na+K"	61.952376
"782110"	254.602338	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+Na+K"	61.952376
"1677719"	105.518238	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Na+K"	61.952376
"264605"	362.183968	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+ACN+Na"	64.015768
"1236583"	213.099868	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+ACN+Na"	64.015768
"1721461"	213.123393	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+NH4+HCOOH"	64.039293
"1183528"	72.683918	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+3Na"	68.967654
"1658889"	218.078788	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Na+HCOOH"	68.994688
"164657"	375.08724	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+2K-H"	76.91904
"605313"	524.17134	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+2K-H"	76.91904
"1086910"	226.00314	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2K-H"	76.91904
"144453"	188.047258	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"2M+2K"	77.926316
"583287"	262.589308	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"3M+2K"	77.926316
"1070716"	113.505208	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2K"	77.926316
"1100887"	228.017692	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2K+H"	78.933592
"1337273"	228.105307	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+DMSO+H"	79.021207
"1008115"	232.144476	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2ACN+H"	83.060376
"1532437"	233.138108	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+IsoProp+Na+H"	84.054008
"992325"	116.575876	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+2ACN+2H"	84.067652
"1589015"	234.052728	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+K+HCOOH"	84.968628
"1415769"	264.084238	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+H+CF3COOH"	115.000138
"1150433"	137.089151	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+3ACN+2H"	125.094202
"1697432"	281.110785	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+NH4+CF3COOH"	132.026685
"1649693"	286.06618	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+Na+CF3COOH"	136.98208
"1580036"	302.04012	"C08301"	"D-Cathinone;Cathinone"	"C9H11NO"	"149.0841"	"M+K+CF3COOH"	152.95602
"802746"	188.1313	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M"	0
"979558"	169.11291	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-H2O-H"	-19.01839
"68895"	124.413590666667	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M-3H"	-3.021828
"515024"	187.124024	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M-3H"	-3.021828
"884449"	61.7031573333333	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-3H"	-3.021828
"10315"	187.124024	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M-2H"	-2.014552
"446590"	281.189674	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M-2H"	-2.014552
"825488"	93.058374	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-2H"	-2.014552
"80373"	375.255324	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M-H"	-1.007276
"522848"	563.386624	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M-H"	-1.007276
"902836"	187.124024	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-H"	-1.007276
"53932"	392.281871	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M-2H+NH4"	16.019271
"492398"	580.413171	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M-2H+NH4"	16.019271
"871294"	204.150571	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-2H+NH4"	16.019271
"39195"	397.237266	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M-2H+Na"	20.974666
"477664"	585.368566	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M-2H+Na"	20.974666
"856560"	209.105966	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-2H+Na"	20.974666
"1621723"	209.105966	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Na-2H"	20.974666
"104814"	205.112363	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M-H+Cl"	33.962126
"544379"	299.178013	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M-H+Cl"	33.962126
"933519"	111.046713	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-H+Cl"	33.962126
"278636"	411.232002	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+Cl"	34.969402
"661219"	599.363302	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+Cl"	34.969402
"1273739"	223.100702	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Cl"	34.969402
"21647"	413.211206	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M-2H+K"	36.948606
"469956"	601.342506	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M-2H+K"	36.948606
"844476"	225.079906	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-2H+K"	36.948606
"1564684"	225.079906	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+K-2H"	36.948606
"950380"	233.129494	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-H+HCOOH"	44.998194
"368595"	421.260801	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+HCOOH-H"	44.998201
"351384"	435.276451	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+Hac-H"	59.013851
"1502406"	247.145151	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Hac-H"	59.013851
"965573"	255.111451	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-H+NaCOOH"	66.980151
"114849"	223.100702	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+2Cl"	69.938804
"561697"	317.166352	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+2Cl"	69.938804
"1024666"	129.035052	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2Cl"	69.938804
"1245338"	267.050185	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Br"	78.918885
"1310339"	269.106172	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Cl+HCOOH"	80.974872
"1330754"	291.088129	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Cl+NaCOOH"	102.956829
"919991"	301.116886	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M-H+CF3COOH"	112.985586
"1292323"	337.093564	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Cl+CF3COOH"	148.962264
"1374865"	153.118624	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H-2H2O"	-35.012676
"1390172"	171.1286	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H-H2O"	-17.0027
"285485"	377.269876	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+H"	1.007276
"681188"	565.401176	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+H"	1.007276
"1352796"	189.138576	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H"	1.007276
"129334"	189.138576	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+2H"	2.014552
"568164"	283.204226	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+2H"	2.014552
"1044986"	95.072926	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2H"	2.014552
"209971"	126.428142666667	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+3H"	3.021828
"652812"	189.138576	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+3H"	3.021828
"1173124"	63.7177093333333	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+3H"	3.021828
"425583"	394.296423	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+NH4"	18.033823
"787671"	582.427723	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+NH4"	18.033823
"1688254"	206.165123	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+NH4"	18.033823
"337622"	197.6518495	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+H+NH4"	19.041099
"728950"	291.7174995	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+H+NH4"	19.041099
"1481678"	103.5861995	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H+NH4"	19.041099
"397443"	399.251818	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+Na"	22.989218
"762450"	587.383118	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+Na"	22.989218
"1607268"	211.120518	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Na"	22.989218
"319494"	200.129547	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+H+Na"	23.996494
"715195"	294.195197	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+H+Na"	23.996494
"1472295"	106.063897	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H+Na"	23.996494
"1061169"	71.0450233333333	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2H+Na"	25.00377
"1263940"	221.164786	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+CH3OH+H"	33.033486
"387984"	415.225758	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+K"	38.963158
"747886"	603.357058	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+K"	38.963158
"1547750"	227.094458	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+K"	38.963158
"303469"	208.116517	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+H+K"	39.970434
"697352"	302.182167	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+H+K"	39.970434
"1458464"	114.050867	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H+K"	39.970434
"245241"	418.296426	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+ACN+H"	42.033826
"1223420"	230.165126	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+ACN+H"	42.033826
"1207667"	115.586201	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+ACN+2H"	43.041102
"204112"	421.23376	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+2Na-H"	44.97116
"643750"	609.36506	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+2Na-H"	44.97116
"1146486"	233.10246	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2Na-H"	44.97116
"186901"	211.120518	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+2Na"	45.978436
"626459"	305.186168	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+2Na"	45.978436
"1129600"	117.054868	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2Na"	45.978436
"1412026"	78.3723373333333	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H+2Na"	46.985712
"1441228"	235.144046	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H+HCOOH"	47.012746
"233116"	216.15354	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+3H2O+2H"	56.04448
"1520808"	249.19609	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+IsoProp+H"	61.06479
"421594"	219.107488	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+Na+K"	61.952376
"782220"	313.173138	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+Na+K"	61.952376
"1677462"	125.041838	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Na+K"	61.952376
"263624"	440.278368	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+ACN+Na"	64.015768
"1237058"	252.147068	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+ACN+Na"	64.015768
"1723758"	252.170593	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+NH4+HCOOH"	64.039293
"1184731"	85.6996513333333	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+3Na"	68.967654
"1656813"	257.125988	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Na+HCOOH"	68.994688
"163675"	453.18164	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+2K-H"	76.91904
"599957"	641.31294	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+2K-H"	76.91904
"1085805"	265.05034	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2K-H"	76.91904
"145657"	227.094458	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"2M+2K"	77.926316
"582910"	321.160108	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"3M+2K"	77.926316
"1071920"	133.028808	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2K"	77.926316
"1101851"	267.064892	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2K+H"	78.933592
"1335796"	267.152507	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+DMSO+H"	79.021207
"1007860"	271.191676	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2ACN+H"	83.060376
"1526351"	272.185308	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+IsoProp+Na+H"	84.054008
"992435"	136.099476	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+2ACN+2H"	84.067652
"1589125"	273.099928	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+K+HCOOH"	84.968628
"1414543"	303.131438	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+H+CF3COOH"	115.000138
"1149450"	156.612751	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+3ACN+2H"	125.094202
"1697178"	320.157985	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+NH4+CF3COOH"	132.026685
"1634214"	325.11338	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+Na+CF3COOH"	136.98208
"1580146"	341.08732	"C08302"	"NN-Dimethyltryptamine;DMT"	"C12H16N2"	"188.1313"	"M+K+CF3COOH"	152.95602
"803949"	127.1109	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M"	0
"985138"	108.09251	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-H2O-H"	-19.01839
"77272"	83.733324	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M-3H"	-3.021828
"517316"	126.103624	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M-3H"	-3.021828
"884187"	41.363024	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-3H"	-3.021828
"6050"	126.103624	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M-2H"	-2.014552
"446704"	189.659074	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M-2H"	-2.014552
"825599"	62.548174	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-2H"	-2.014552
"79146"	253.214524	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M-H"	-1.007276
"524052"	380.325424	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M-H"	-1.007276
"904041"	126.103624	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-H"	-1.007276
"57323"	270.241071	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M-2H+NH4"	16.019271
"495790"	397.351971	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M-2H+NH4"	16.019271
"871404"	143.130171	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-2H+NH4"	16.019271
"39306"	275.196466	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M-2H+Na"	20.974666
"477776"	402.307366	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M-2H+Na"	20.974666
"858858"	148.085566	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-2H+Na"	20.974666
"1632770"	148.085566	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Na-2H"	20.974666
"106018"	144.091963	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M-H+Cl"	33.962126
"547769"	207.647413	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M-H+Cl"	33.962126
"931443"	80.536513	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-H+Cl"	33.962126
"279840"	289.191202	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+Cl"	34.969402
"660841"	416.302102	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+Cl"	34.969402
"1273483"	162.080302	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Cl"	34.969402
"20664"	291.170406	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M-2H+K"	36.948606
"461319"	418.281306	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M-2H+K"	36.948606
"843493"	164.059506	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-2H+K"	36.948606
"1562608"	164.059506	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+K-2H"	36.948606
"947211"	172.109094	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-H+HCOOH"	44.998194
"366521"	299.220001	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+HCOOH-H"	44.998201
"352588"	313.235651	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+Hac-H"	59.013851
"1499236"	186.124751	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Hac-H"	59.013851
"965684"	194.091051	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-H+NaCOOH"	66.980151
"117875"	162.080302	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+2Cl"	69.938804
"560714"	225.635752	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+2Cl"	69.938804
"1027693"	98.524852	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2Cl"	69.938804
"1245813"	206.029785	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Br"	78.918885
"1312635"	208.085772	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Cl+HCOOH"	80.974872
"1331957"	230.067729	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Cl+NaCOOH"	102.956829
"921194"	240.096486	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M-H+CF3COOH"	112.985586
"1293526"	276.073164	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Cl+CF3COOH"	148.962264
"1373881"	92.098224	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H-2H2O"	-35.012676
"1384450"	110.1082	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H-H2O"	-17.0027
"286324"	255.229076	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+H"	1.007276
"678019"	382.339976	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+H"	1.007276
"1353998"	128.118176	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H"	1.007276
"129444"	128.118176	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+2H"	2.014552
"573378"	191.673626	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+2H"	2.014552
"1038900"	64.562726	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2H"	2.014552
"207895"	85.747876	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+3H"	3.021828
"651830"	128.118176	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+3H"	3.021828
"1169954"	43.377576	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+3H"	3.021828
"427760"	272.255623	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+NH4"	18.033823
"790941"	399.366523	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+NH4"	18.033823
"1688365"	145.144723	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+NH4"	18.033823
"337735"	136.6314495	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+H+NH4"	19.041099
"731250"	200.1868995	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+H+NH4"	19.041099
"1481790"	73.0759995	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H+NH4"	19.041099
"397192"	277.211018	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+Na"	22.989218
"762560"	404.321918	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+Na"	22.989218
"1607379"	150.100118	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Na"	22.989218
"317418"	139.109147	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+H+Na"	23.996494
"716401"	202.664597	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+H+Na"	23.996494
"1469128"	75.553697	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H+Na"	23.996494
"1055811"	50.70489	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2H+Na"	25.00377
"1260769"	160.144386	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+CH3OH+H"	33.033486
"388092"	293.184958	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+K"	38.963158
"743619"	420.295858	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+K"	38.963158
"1545671"	166.074058	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+K"	38.963158
"305042"	147.096117	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+H+K"	39.970434
"701473"	210.651567	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+H+K"	39.970434
"1461240"	83.540667	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H+K"	39.970434
"248635"	296.255626	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+ACN+H"	42.033826
"1222437"	169.144726	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+ACN+H"	42.033826
"1206324"	85.076001	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+ACN+2H"	43.041102
"200651"	299.19296	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+2Na-H"	44.97116
"639844"	426.30386	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+2Na-H"	44.97116
"1142625"	172.08206	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2Na-H"	44.97116
"183730"	150.100118	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+2Na"	45.978436
"625839"	213.655568	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+2Na"	45.978436
"1128254"	86.544668	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2Na"	45.978436
"1411048"	58.032204	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H+2Na"	46.985712
"1442801"	174.123646	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H+HCOOH"	47.012746
"232498"	155.13314	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+3H2O+2H"	56.04448
"1521289"	188.17569	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+IsoProp+H"	61.06479
"419514"	158.087088	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+Na+K"	61.952376
"781604"	221.642538	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+Na+K"	61.952376
"1679036"	94.531638	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Na+K"	61.952376
"264826"	318.237568	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+ACN+Na"	64.015768
"1237535"	191.126668	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+ACN+Na"	64.015768
"1724598"	191.150193	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+NH4+HCOOH"	64.039293
"1185935"	65.359518	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+3Na"	68.967654
"1656922"	196.105588	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Na+HCOOH"	68.994688
"161599"	331.14084	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+2K-H"	76.91904
"602253"	458.25174	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+2K-H"	76.91904
"1090047"	204.02994	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2K-H"	76.91904
"145771"	166.074058	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"2M+2K"	77.926316
"585331"	229.629508	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"3M+2K"	77.926316
"1069965"	102.518608	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2K"	77.926316
"1101109"	206.044492	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2K+H"	78.933592
"1338711"	206.132107	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+DMSO+H"	79.021207
"1006268"	210.171276	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2ACN+H"	83.060376
"1529378"	211.164908	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+IsoProp+Na+H"	84.054008
"992546"	105.589276	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+2ACN+2H"	84.067652
"1590331"	212.079528	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+K+HCOOH"	84.968628
"1414651"	242.111038	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+H+CF3COOH"	115.000138
"1147246"	126.102551	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+3ACN+2H"	125.094202
"1700204"	259.137585	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+NH4+CF3COOH"	132.026685
"1634232"	264.09298	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+Na+CF3COOH"	136.98208
"1571341"	280.06692	"C08303"	"Galegine"	"C6H13N3"	"127.1109"	"M+K+CF3COOH"	152.95602
"804058"	174.1157	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M"	0
"986341"	155.09731	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-H2O-H"	-19.01839
"69117"	115.069857333333	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M-3H"	-3.021828
"516333"	173.108424	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M-3H"	-3.021828
"883567"	57.0312906666667	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-3H"	-3.021828
"9433"	173.108424	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M-2H"	-2.014552
"447907"	260.166274	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M-2H"	-2.014552
"826802"	86.050574	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-2H"	-2.014552
"87884"	347.224124	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M-H"	-1.007276
"523069"	521.339824	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M-H"	-1.007276
"905246"	173.108424	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-H"	-1.007276
"57435"	364.250671	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M-2H+NH4"	16.019271
"494810"	538.366371	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M-2H+NH4"	16.019271
"871518"	190.134971	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-2H+NH4"	16.019271
"37234"	369.206066	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M-2H+Na"	20.974666
"474609"	543.321766	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M-2H+Na"	20.974666
"852774"	195.090366	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-2H+Na"	20.974666
"1627413"	195.090366	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Na-2H"	20.974666
"105035"	191.096763	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M-H+Cl"	33.962126
"544596"	278.154613	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M-H+Cl"	33.962126
"941392"	104.038913	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-H+Cl"	33.962126
"279948"	383.200802	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+Cl"	34.969402
"665813"	557.316502	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+Cl"	34.969402
"1276029"	209.085102	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Cl"	34.969402
"17491"	385.180006	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M-2H+K"	36.948606
"458147"	559.295706	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M-2H+K"	36.948606
"835948"	211.064306	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-2H+K"	36.948606
"1564905"	211.064306	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+K-2H"	36.948606
"953881"	219.113894	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-H+HCOOH"	44.998194
"373192"	393.229601	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+HCOOH-H"	44.998201
"357073"	407.245251	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+Hac-H"	59.013851
"1507003"	233.129551	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Hac-H"	59.013851
"971632"	241.095851	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-H+NaCOOH"	66.980151
"117986"	209.085102	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+2Cl"	69.938804
"555360"	296.142952	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+2Cl"	69.938804
"1028534"	122.027252	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2Cl"	69.938804
"1247381"	253.034585	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Br"	78.918885
"1314932"	255.090572	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Cl+HCOOH"	80.974872
"1333525"	277.072529	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Cl+NaCOOH"	102.956829
"924949"	287.101286	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M-H+CF3COOH"	112.985586
"1293636"	323.077964	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Cl+CF3COOH"	148.962264
"1373991"	139.103024	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H-2H2O"	-35.012676
"1387112"	157.113	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H-H2O"	-17.0027
"285707"	349.238676	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+H"	1.007276
"678129"	523.354376	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+H"	1.007276
"1354473"	175.122976	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H"	1.007276
"132109"	175.122976	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+2H"	2.014552
"572033"	262.180826	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+2H"	2.014552
"1048124"	88.065126	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2H"	2.014552
"213472"	117.084409333333	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+3H"	3.021828
"651940"	175.122976	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+3H"	3.021828
"1163747"	59.0458426666667	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+3H"	3.021828
"430059"	366.265223	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+NH4"	18.033823
"795426"	540.380923	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+NH4"	18.033823
"1689570"	192.149523	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+NH4"	18.033823
"337846"	183.6362495	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+H+NH4"	19.041099
"726257"	270.6940995	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+H+NH4"	19.041099
"1482994"	96.5783995	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H+NH4"	19.041099
"399490"	371.220618	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+Na"	22.989218
"760485"	545.336318	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+Na"	22.989218
"1607491"	197.104918	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Na"	22.989218
"317528"	186.113947	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+H+Na"	23.996494
"713231"	273.171797	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+H+Na"	23.996494
"1469237"	99.056097	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H+Na"	23.996494
"1055921"	66.3731566666667	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2H+Na"	25.00377
"1261973"	207.149186	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+CH3OH+H"	33.033486
"382735"	387.194558	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+K"	38.963158
"742638"	561.310258	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+K"	38.963158
"1541414"	213.078858	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+K"	38.963158
"310985"	194.100917	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+H+K"	39.970434
"706691"	281.158767	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+H+K"	39.970434
"1460513"	107.043067	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H+K"	39.970434
"249477"	390.265226	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+ACN+H"	42.033826
"1224129"	216.149526	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+ACN+H"	42.033826
"1206432"	108.578401	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+ACN+2H"	43.041102
"202342"	393.20256	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+2Na-H"	44.97116
"638862"	567.31826	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+2Na-H"	44.97116
"1142736"	219.08686	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2Na-H"	44.97116
"182381"	197.104918	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+2Na"	45.978436
"623764"	284.162768	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+2Na"	45.978436
"1128729"	110.047068	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2Na"	45.978436
"1411158"	73.7004706666667	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H+2Na"	46.985712
"1443278"	221.128446	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H+HCOOH"	47.012746
"231876"	202.13794	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+3H2O+2H"	56.04448
"1520667"	235.18049	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+IsoProp+H"	61.06479
"418166"	205.091888	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+Na+K"	61.952376
"780256"	292.149738	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+Na+K"	61.952376
"1680241"	118.034038	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Na+K"	61.952376
"265911"	412.247168	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+ACN+Na"	64.015768
"1238741"	238.131468	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+ACN+Na"	64.015768
"1724712"	238.154993	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+NH4+HCOOH"	64.039293
"1184953"	81.0277846666667	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+3Na"	68.967654
"1659222"	243.110388	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Na+HCOOH"	68.994688
"164992"	425.15044	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+2K-H"	76.91904
"608926"	599.26614	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+2K-H"	76.91904
"1089065"	251.03474	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2K-H"	76.91904
"149165"	213.078858	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"2M+2K"	77.926316
"585445"	300.136708	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"3M+2K"	77.926316
"1069956"	126.021008	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2K"	77.926316
"1103166"	253.049292	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2K+H"	78.933592
"1342835"	253.136907	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+DMSO+H"	79.021207
"1010269"	257.176076	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2ACN+H"	83.060376
"1536050"	258.169708	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+IsoProp+Na+H"	84.054008
"995938"	129.091676	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+2ACN+2H"	84.067652
"1591535"	259.084328	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+K+HCOOH"	84.968628
"1416099"	289.115838	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+H+CF3COOH"	115.000138
"1147480"	149.604951	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+3ACN+2H"	125.094202
"1703594"	306.142385	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+NH4+CF3COOH"	132.026685
"1634155"	311.09778	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+Na+CF3COOH"	136.98208
"1571451"	327.07172	"C08304"	"Gramine"	"C11H14N2"	"174.1157"	"M+K+CF3COOH"	152.95602
"809637"	100.0637	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M"	0
"986453"	81.04531	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-H2O-H"	-19.01839
"72507"	65.7018573333333	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M-3H"	-3.021828
"516443"	99.056424	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M-3H"	-3.021828
"882584"	32.3472906666667	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-3H"	-3.021828
"5169"	99.056424	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M-2H"	-2.014552
"450202"	149.088274	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M-2H"	-2.014552
"824726"	49.024574	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-2H"	-2.014552
"83622"	199.120124	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M-H"	-1.007276
"523185"	299.183824	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M-H"	-1.007276
"904263"	99.056424	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-H"	-1.007276
"52079"	216.146671	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M-2H+NH4"	16.019271
"492732"	316.210371	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M-2H+NH4"	16.019271
"869443"	116.082971	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-2H+NH4"	16.019271
"37344"	221.102066	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M-2H+Na"	20.974666
"475811"	321.165766	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M-2H+Na"	20.974666
"852522"	121.038366	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-2H+Na"	20.974666
"1625336"	121.038366	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Na-2H"	20.974666
"107332"	117.044763	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M-H+Cl"	33.962126
"547988"	167.076613	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M-H+Cl"	33.962126
"936036"	67.012913	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-H+Cl"	33.962126
"280060"	235.096802	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+Cl"	34.969402
"664830"	335.160502	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+Cl"	34.969402
"1273095"	135.033102	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Cl"	34.969402
"20884"	237.076006	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M-2H+K"	36.948606
"455945"	337.139706	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M-2H+K"	36.948606
"842621"	137.012306	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-2H+K"	36.948606
"1562827"	137.012306	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+K-2H"	36.948606
"952900"	145.061894	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-H+HCOOH"	44.998194
"365647"	245.125601	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+HCOOH-H"	44.998201
"349165"	259.141251	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+Hac-H"	59.013851
"1501644"	159.077551	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Hac-H"	59.013851
"969186"	167.043851	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-H+NaCOOH"	66.980151
"114816"	135.033102	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+2Cl"	69.938804
"555470"	185.064952	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+2Cl"	69.938804
"1027551"	85.001252	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2Cl"	69.938804
"1246034"	178.982585	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Br"	78.918885
"1315044"	181.038572	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Cl+HCOOH"	80.974872
"1331815"	203.020529	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Cl+NaCOOH"	102.956829
"925059"	213.049286	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M-H+CF3COOH"	112.985586
"1292653"	249.025964	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Cl+CF3COOH"	148.962264
"1375195"	65.051024	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H-2H2O"	-35.012676
"1387587"	83.061	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H-H2O"	-17.0027
"291286"	201.134676	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+H"	1.007276
"689177"	301.198376	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+H"	1.007276
"1358960"	101.070976	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H"	1.007276
"129666"	101.070976	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+2H"	2.014552
"574330"	151.102826	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+2H"	2.014552
"1048235"	51.039126	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2H"	2.014552
"215042"	67.7164093333333	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+3H"	3.021828
"650959"	101.070976	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+3H"	3.021828
"1163736"	34.3618426666667	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+3H"	3.021828
"430169"	218.161223	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+NH4"	18.033823
"797725"	318.224923	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+NH4"	18.033823
"1689681"	118.097523	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+NH4"	18.033823
"333582"	109.5842495	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+H+NH4"	19.041099
"725275"	159.6160995	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+H+NH4"	19.041099
"1482012"	59.5523995	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H+NH4"	19.041099
"399600"	223.116618	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+Na"	22.989218
"761688"	323.180318	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+Na"	22.989218
"1607601"	123.052918	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Na"	22.989218
"320918"	112.061947	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+H+Na"	23.996494
"712248"	162.093797	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+H+Na"	23.996494
"1465341"	62.030097	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H+Na"	23.996494
"1057127"	41.6891566666667	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2H+Na"	25.00377
"1266457"	133.097186	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+CH3OH+H"	33.033486
"386125"	239.090558	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+K"	38.963158
"739591"	339.154258	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+K"	38.963158
"1541524"	139.026858	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+K"	38.963158
"307815"	120.048917	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+H+K"	39.970434
"705223"	170.080767	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+H+K"	39.970434
"1458437"	70.017067	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H+K"	39.970434
"246676"	242.161226	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+ACN+H"	42.033826
"1223754"	142.097526	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+ACN+H"	42.033826
"1206543"	71.552401	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+ACN+2H"	43.041102
"199415"	245.09856	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+2Na-H"	44.97116
"638973"	345.16226	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+2Na-H"	44.97116
"1140294"	145.03486	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2Na-H"	44.97116
"181396"	123.052918	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+2Na"	45.978436
"624237"	173.084768	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+2Na"	45.978436
"1127382"	73.021068	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2Na"	45.978436
"1410171"	49.0164706666667	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H+2Na"	46.985712
"1442655"	147.076446	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H+HCOOH"	47.012746
"233079"	128.08594	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+3H2O+2H"	56.04448
"1517860"	161.12849	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+IsoProp+H"	61.06479
"416454"	131.039888	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+Na+K"	61.952376
"780730"	181.071738	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+Na+K"	61.952376
"1679256"	81.008038	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Na+K"	61.952376
"265412"	264.143168	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+ACN+Na"	64.015768
"1238851"	164.079468	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+ACN+Na"	64.015768
"1725915"	164.102993	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+NH4+HCOOH"	64.039293
"1181783"	56.3437846666667	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+3Na"	68.967654
"1658239"	169.058388	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Na+HCOOH"	68.994688
"164010"	277.04644	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+2K-H"	76.91904
"601383"	377.11014	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+2K-H"	76.91904
"1090268"	176.98274	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2K-H"	76.91904
"150369"	139.026858	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"2M+2K"	77.926316
"584462"	189.058708	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"3M+2K"	77.926316
"1071159"	88.995008	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2K"	77.926316
"1102184"	178.997292	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2K+H"	78.933592
"1344039"	179.084907	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+DMSO+H"	79.021207
"1013661"	183.124076	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2ACN+H"	83.060376
"1532880"	184.117708	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+IsoProp+Na+H"	84.054008
"992769"	92.065676	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+2ACN+2H"	84.067652
"1588366"	185.032328	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+K+HCOOH"	84.968628
"1415238"	215.063838	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+H+CF3COOH"	115.000138
"1149780"	112.578951	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+3ACN+2H"	125.094202
"1703704"	232.090385	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+NH4+CF3COOH"	132.026685
"1636074"	237.04578	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+Na+CF3COOH"	136.98208
"1571603"	253.01972	"C08305"	"Gyromitrin;Acetaldehyde methylformylhydrazone"	"C4H8N2O"	"100.0637"	"M+K+CF3COOH"	152.95602
"809747"	101.1204	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M"	0
"988752"	82.10201	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-H2O-H"	-19.01839
"69338"	66.406324	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M-3H"	-3.021828
"509996"	100.113124	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M-3H"	-3.021828
"886705"	32.699524	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-3H"	-3.021828
"9654"	100.113124	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M-2H"	-2.014552
"451405"	150.673324	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M-2H"	-2.014552
"827023"	49.552924	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-2H"	-2.014552
"85921"	201.233524	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M-H"	-1.007276
"524388"	302.353924	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M-H"	-1.007276
"904373"	100.113124	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-H"	-1.007276
"53282"	218.260071	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M-2H+NH4"	16.019271
"495029"	319.380471	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M-2H+NH4"	16.019271
"869553"	117.139671	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-2H+NH4"	16.019271
"38548"	223.215466	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M-2H+Na"	20.974666
"478109"	324.335866	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M-2H+Na"	20.974666
"851902"	122.095066	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-2H+Na"	20.974666
"1625446"	122.095066	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Na-2H"	20.974666
"107443"	118.101463	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M-H+Cl"	33.962126
"548463"	168.661663	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M-H+Cl"	33.962126
"942100"	67.541263	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-H+Cl"	33.962126
"280537"	237.210202	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+Cl"	34.969402
"663847"	338.330602	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+Cl"	34.969402
"1273571"	136.089802	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Cl"	34.969402
"24274"	239.189406	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M-2H+K"	36.948606
"459461"	340.309806	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M-2H+K"	36.948606
"846011"	138.069006	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-2H+K"	36.948606
"1559658"	138.069006	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+K-2H"	36.948606
"953009"	146.118594	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-H+HCOOH"	44.998194
"367945"	247.239001	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+HCOOH-H"	44.998201
"350367"	261.254651	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+Hac-H"	59.013851
"1503941"	160.134251	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Hac-H"	59.013851
"970391"	168.100551	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-H+NaCOOH"	66.980151
"113102"	136.089802	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+2Cl"	69.938804
"553027"	186.650002	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+2Cl"	69.938804
"1030940"	85.529602	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2Cl"	69.938804
"1248331"	180.039285	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Br"	78.918885
"1315154"	182.095272	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Cl+HCOOH"	80.974872
"1333747"	204.077229	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Cl+NaCOOH"	102.956829
"925534"	214.105986	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M-H+CF3COOH"	112.985586
"1294950"	250.082664	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Cl+CF3COOH"	148.962264
"1377486"	66.107724	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H-2H2O"	-35.012676
"1392800"	84.1177	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H-H2O"	-17.0027
"291396"	203.248076	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+H"	1.007276
"688192"	304.368476	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+H"	1.007276
"1361257"	102.127676	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H"	1.007276
"133056"	102.127676	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+2H"	2.014552
"574804"	152.687876	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+2H"	2.014552
"1049802"	51.567476	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2H"	2.014552
"215881"	68.420876	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+3H"	3.021828
"654349"	102.127676	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+3H"	3.021828
"1165061"	34.714076	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+3H"	3.021828
"430279"	220.274623	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+NH4"	18.033823
"798566"	321.395023	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+NH4"	18.033823
"1690885"	119.154223	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+NH4"	18.033823
"334788"	110.6409495	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+H+NH4"	19.041099
"730489"	161.2011495	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+H+NH4"	19.041099
"1482124"	60.0807495	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H+NH4"	19.041099
"396429"	225.230018	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+Na"	22.989218
"761798"	326.350418	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+Na"	22.989218
"1607711"	124.109618	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Na"	22.989218
"321028"	113.118647	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+H+Na"	23.996494
"716731"	163.678847	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+H+Na"	23.996494
"1473833"	62.558447	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H+Na"	23.996494
"1058329"	42.04139	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2H+Na"	25.00377
"1267660"	134.153886	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+CH3OH+H"	33.033486
"386237"	241.203958	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+K"	38.963158
"742861"	342.324358	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+K"	38.963158
"1541633"	140.083558	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+K"	38.963158
"311570"	121.105617	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+H+K"	39.970434
"698888"	171.665817	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+H+K"	39.970434
"1454896"	70.545417	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H+K"	39.970434
"247872"	244.274626	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+ACN+H"	42.033826
"1222770"	143.154226	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+ACN+H"	42.033826
"1207992"	72.080751	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+ACN+2H"	43.041102
"201709"	247.21196	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+2Na-H"	44.97116
"642361"	348.33236	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+2Na-H"	44.97116
"1142589"	146.09156	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2Na-H"	44.97116
"184786"	124.109618	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+2Na"	45.978436
"623252"	174.669818	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+2Na"	45.978436
"1127487"	73.549418	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2Na"	45.978436
"1408095"	49.368704	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H+2Na"	46.985712
"1442398"	148.133146	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H+HCOOH"	47.012746
"233190"	129.14264	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+3H2O+2H"	56.04448
"1516877"	162.18519	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+IsoProp+H"	61.06479
"422400"	132.096588	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+Na+K"	61.952376
"783636"	182.656788	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+Na+K"	61.952376
"1679609"	81.536388	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Na+K"	61.952376
"266251"	266.256568	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+ACN+Na"	64.015768
"1240296"	165.136168	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+ACN+Na"	64.015768
"1726025"	165.159693	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+NH4+HCOOH"	64.039293
"1181893"	56.696018	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+3Na"	68.967654
"1659444"	170.115088	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Na+HCOOH"	68.994688
"163026"	279.15984	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+2K-H"	76.91904
"599306"	380.28024	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+2K-H"	76.91904
"1087098"	178.03944	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2K-H"	76.91904
"144645"	140.083558	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"2M+2K"	77.926316
"583839"	190.643758	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"3M+2K"	77.926316
"1070904"	89.523358	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2K"	77.926316
"1103751"	180.053992	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2K+H"	78.933592
"1341961"	180.141607	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+DMSO+H"	79.021207
"1010491"	184.180776	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2ACN+H"	83.060376
"1532991"	185.174408	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+IsoProp+Na+H"	84.054008
"995063"	92.594026	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+2ACN+2H"	84.067652
"1592848"	186.089028	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+K+HCOOH"	84.968628
"1426163"	216.120538	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+H+CF3COOH"	115.000138
"1156451"	113.107301	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+3ACN+2H"	125.094202
"1707096"	233.147085	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+NH4+CF3COOH"	132.026685
"1641652"	238.10248	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+Na+CF3COOH"	136.98208
"1571834"	254.07642	"C08306"	"Hexylamine;1-Hexanamine"	"C6H15N"	"101.1204"	"M+K+CF3COOH"	152.95602
"803660"	550.3016	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M"	0
"989472"	531.28321	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-H2O-H"	-19.01839
"76009"	365.860457333333	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M-3H"	-3.021828
"511199"	549.294324	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M-3H"	-3.021828
"885721"	182.426590666667	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-3H"	-3.021828
"9765"	549.294324	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M-2H"	-2.014552
"451514"	824.445124	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M-2H"	-2.014552
"824946"	274.143524	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-2H"	-2.014552
"81658"	1099.595924	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M-H"	-1.007276
"524499"	1649.897524	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M-H"	-1.007276
"905577"	549.294324	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-H"	-1.007276
"50115"	1116.622471	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M-2H+NH4"	16.019271
"497325"	1666.924071	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M-2H+NH4"	16.019271
"872943"	566.320871	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-2H+NH4"	16.019271
"38658"	1121.577866	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M-2H+Na"	20.974666
"478220"	1671.879466	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M-2H+Na"	20.974666
"854930"	571.276266	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-2H+Na"	20.974666
"1628837"	571.276266	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Na-2H"	20.974666
"104272"	567.282663	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M-H+Cl"	33.962126
"549829"	842.433463	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M-H+Cl"	33.962126
"936257"	292.131863	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-H+Cl"	33.962126
"281134"	1135.572602	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+Cl"	34.969402
"663957"	1685.874202	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+Cl"	34.969402
"1276357"	585.271002	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Cl"	34.969402
"20009"	1137.551806	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M-2H+K"	36.948606
"458841"	1687.853406	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M-2H+K"	36.948606
"842841"	587.250206	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-2H+K"	36.948606
"1561954"	587.250206	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+K-2H"	36.948606
"950932"	595.299794	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-H+HCOOH"	44.998194
"366962"	1145.601401	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+HCOOH-H"	44.998201
"350841"	1159.617051	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+Hac-H"	59.013851
"1506604"	609.315451	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Hac-H"	59.013851
"968315"	617.281751	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-H+NaCOOH"	66.980151
"112848"	585.271002	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+2Cl"	69.938804
"555689"	860.421802	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+2Cl"	69.938804
"1031050"	310.120202	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2Cl"	69.938804
"1248441"	629.220485	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Br"	78.918885
"1311984"	631.276472	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Cl+HCOOH"	80.974872
"1330577"	653.258429	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Cl+NaCOOH"	102.956829
"925643"	663.287186	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M-H+CF3COOH"	112.985586
"1295060"	699.263864	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Cl+CF3COOH"	148.962264
"1377596"	515.288924	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H-2H2O"	-35.012676
"1395463"	533.2989	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H-H2O"	-17.0027
"291506"	1101.610476	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+H"	1.007276
"690489"	1651.912076	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+H"	1.007276
"1363554"	551.308876	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H"	1.007276
"135353"	551.308876	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+2H"	2.014552
"578194"	826.459676	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+2H"	2.014552
"1050276"	276.158076	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2H"	2.014552
"215992"	367.875009333333	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+3H"	3.021828
"651178"	551.308876	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+3H"	3.021828
"1171490"	184.441142666667	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+3H"	3.021828
"430389"	1118.637023	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+NH4"	18.033823
"799770"	1668.938623	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+NH4"	18.033823
"1693911"	568.335423	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+NH4"	18.033823
"331983"	559.8221495	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+H+NH4"	19.041099
"725133"	834.9729495	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+H+NH4"	19.041099
"1482234"	284.6713495	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H+NH4"	19.041099
"395446"	1123.592418	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+Na"	22.989218
"759722"	1673.894018	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+Na"	22.989218
"1608915"	573.290818	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Na"	22.989218
"322232"	562.299847	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+H+Na"	23.996494
"715749"	837.450647	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+H+Na"	23.996494
"1475036"	287.149047	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H+Na"	23.996494
"1058440"	191.768456666667	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2H+Na"	25.00377
"1267771"	583.335086	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+CH3OH+H"	33.033486
"388534"	1139.566358	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+K"	38.963158
"742971"	1689.867958	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+K"	38.963158
"1542471"	589.264758	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+K"	38.963158
"312044"	570.286817	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+H+K"	39.970434
"698998"	845.437617	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+H+K"	39.970434
"1452819"	295.136017	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H+K"	39.970434
"243605"	1142.637026	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+ACN+H"	42.033826
"1225189"	592.335426	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+ACN+H"	42.033826
"1206759"	296.671351	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+ACN+2H"	43.041102
"202550"	1145.57436	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+2Na-H"	44.97116
"641380"	1695.87596	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+2Na-H"	44.97116
"1141606"	595.27276	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2Na-H"	44.97116
"183804"	573.290818	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+2Na"	45.978436
"620082"	848.441618	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+2Na"	45.978436
"1125777"	298.140018	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2Na"	45.978436
"1409301"	199.095770666667	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H+2Na"	46.985712
"1442508"	597.314346	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H+HCOOH"	47.012746
"232206"	578.32384	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+3H2O+2H"	56.04448
"1518080"	611.36639	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+IsoProp+H"	61.06479
"422874"	581.277788	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+Na+K"	61.952376
"784231"	856.428588	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+Na+K"	61.952376
"1679109"	306.126988	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Na+K"	61.952376
"266360"	1164.618968	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+ACN+Na"	64.015768
"1239435"	614.317368	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+ACN+Na"	64.015768
"1725043"	614.340893	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+NH4+HCOOH"	64.039293
"1187471"	206.423084666667	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+3Na"	68.967654
"1659554"	619.296288	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Na+HCOOH"	68.994688
"162043"	1177.52224	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+2K-H"	76.91904
"601605"	1727.82384	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+2K-H"	76.91904
"1089395"	627.22064	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2K-H"	76.91904
"144392"	589.264758	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"2M+2K"	77.926316
"584681"	864.415558	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"3M+2K"	77.926316
"1073568"	314.113958	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2K"	77.926316
"1103497"	629.235192	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2K+H"	78.933592
"1343164"	629.322807	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+DMSO+H"	79.021207
"1011694"	633.361976	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2ACN+H"	83.060376
"1534196"	634.355608	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+IsoProp+Na+H"	84.054008
"997360"	317.184626	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+2ACN+2H"	84.067652
"1590770"	635.270228	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+K+HCOOH"	84.968628
"1426274"	665.301738	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+H+CF3COOH"	115.000138
"1155468"	337.697901	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+3ACN+2H"	125.094202
"1700645"	682.328285	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+NH4+CF3COOH"	132.026685
"1638482"	687.28368	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+Na+CF3COOH"	136.98208
"1572066"	703.25762	"C08307"	"Hordatine A"	"C28H38N8O4"	"550.3016"	"M+K+CF3COOH"	152.95602
"803406"	580.3122	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M"	0
"988609"	561.29381	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-H2O-H"	-19.01839
"76119"	385.867524	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M-3H"	-3.021828
"511309"	579.304924	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M-3H"	-3.021828
"886924"	192.430124	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-3H"	-3.021828
"7688"	579.304924	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M-2H"	-2.014552
"453810"	869.461024	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M-2H"	-2.014552
"828335"	289.148824	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-2H"	-2.014552
"88327"	1159.617124	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M-H"	-1.007276
"530076"	1739.929324	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M-H"	-1.007276
"904595"	579.304924	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-H"	-1.007276
"54599"	1176.643671	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M-2H+NH4"	16.019271
"498530"	1756.955871	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M-2H+NH4"	16.019271
"877425"	596.331471	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-2H+NH4"	16.019271
"40954"	1181.599066	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M-2H+Na"	20.974666
"478330"	1761.911266	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M-2H+Na"	20.974666
"857226"	601.286866	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-2H+Na"	20.974666
"1628947"	601.286866	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Na-2H"	20.974666
"105475"	597.293263	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M-H+Cl"	33.962126
"549617"	887.449363	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M-H+Cl"	33.962126
"939647"	307.137163	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-H+Cl"	33.962126
"281001"	1195.593802	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+Cl"	34.969402
"668441"	1775.906002	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+Cl"	34.969402
"1274766"	615.281602	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Cl"	34.969402
"21212"	1197.573006	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M-2H+K"	36.948606
"458220"	1777.885206	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M-2H+K"	36.948606
"840763"	617.260806	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-2H+K"	36.948606
"1562064"	617.260806	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+K-2H"	36.948606
"954322"	625.310394	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-H+HCOOH"	44.998194
"367071"	1205.622601	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+HCOOH-H"	44.998201
"355325"	1219.638251	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+Hac-H"	59.013851
"1501973"	639.326051	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Hac-H"	59.013851
"971704"	647.292351	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-H+NaCOOH"	66.980151
"118425"	615.281602	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+2Cl"	69.938804
"555799"	905.437702	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+2Cl"	69.938804
"1031160"	325.125502	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2Cl"	69.938804
"1248551"	659.231085	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Br"	78.918885
"1312094"	661.287072	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Cl+HCOOH"	80.974872
"1334330"	683.269029	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Cl+NaCOOH"	102.956829
"926118"	693.297786	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M-H+CF3COOH"	112.985586
"1299543"	729.274464	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Cl+CF3COOH"	148.962264
"1377706"	545.299524	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H-2H2O"	-35.012676
"1395937"	563.3095	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H-H2O"	-17.0027
"291616"	1161.631676	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+H"	1.007276
"688413"	1741.943876	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+H"	1.007276
"1363301"	581.319476	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H"	1.007276
"135463"	581.319476	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+2H"	2.014552
"577211"	871.475576	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+2H"	2.014552
"1048199"	291.163376	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2H"	2.014552
"216830"	387.882076	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+3H"	3.021828
"651289"	581.319476	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+3H"	3.021828
"1172693"	194.444676	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+3H"	3.021828
"429405"	1178.658223	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+NH4"	18.033823
"800244"	1758.970423	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+NH4"	18.033823
"1693292"	598.346023	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+NH4"	18.033823
"337196"	589.8327495	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+H+NH4"	19.041099
"727429"	879.9888495	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+H+NH4"	19.041099
"1484530"	299.6766495	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H+NH4"	19.041099
"397743"	1183.613618	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+Na"	22.989218
"759832"	1763.925818	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+Na"	22.989218
"1611213"	603.301418	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Na"	22.989218
"324529"	592.310447	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+H+Na"	23.996494
"716952"	882.466547	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+H+Na"	23.996494
"1475145"	302.154347	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H+Na"	23.996494
"1059643"	201.77199	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2H+Na"	25.00377
"1268974"	613.345686	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+CH3OH+H"	33.033486
"391923"	1199.587558	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+K"	38.963158
"746361"	1779.899758	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+K"	38.963158
"1545135"	619.275358	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+K"	38.963158
"301219"	600.297417	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+H+K"	39.970434
"696920"	890.453517	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+H+K"	39.970434
"1452927"	310.141317	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H+K"	39.970434
"240435"	1202.658226	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+ACN+H"	42.033826
"1222986"	622.346026	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+ACN+H"	42.033826
"1208327"	311.676651	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+ACN+2H"	43.041102
"203147"	1205.59556	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+2Na-H"	44.97116
"642948"	1785.90776	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+2Na-H"	44.97116
"1142809"	625.28336	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2Na-H"	44.97116
"186100"	603.301418	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+2Na"	45.978436
"621286"	893.457518	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+2Na"	45.978436
"1126980"	313.145318	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2Na"	45.978436
"1411597"	209.099304	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H+2Na"	46.985712
"1442618"	627.324946	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H+HCOOH"	47.012746
"233409"	608.33444	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+3H2O+2H"	56.04448
"1518190"	641.37699	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+IsoProp+H"	61.06479
"423348"	611.288388	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+Na+K"	61.952376
"785193"	901.444488	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+Na+K"	61.952376
"1681123"	321.132288	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Na+K"	61.952376
"266671"	1224.640168	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+ACN+Na"	64.015768
"1241125"	644.327968	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+ACN+Na"	64.015768
"1724421"	644.351493	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+NH4+HCOOH"	64.039293
"1185395"	216.426618	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+3Na"	68.967654
"1661850"	649.306888	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Na+HCOOH"	68.994688
"161059"	1237.54344	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+2K-H"	76.91904
"599528"	1817.85564	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+2K-H"	76.91904
"1088413"	657.23124	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2K-H"	76.91904
"145231"	619.275358	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"2M+2K"	77.926316
"585156"	909.431458	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"3M+2K"	77.926316
"1073679"	329.119258	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2K"	77.926316
"1102878"	659.245792	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2K+H"	78.933592
"1344368"	659.333407	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+DMSO+H"	79.021207
"1011804"	663.372576	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2ACN+H"	83.060376
"1536493"	664.366208	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+IsoProp+Na+H"	84.054008
"996377"	332.189926	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+2ACN+2H"	84.067652
"1593066"	665.280828	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+K+HCOOH"	84.968628
"1427113"	695.312338	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+H+CF3COOH"	115.000138
"1156671"	352.703201	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+3ACN+2H"	125.094202
"1700755"	712.338885	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+NH4+CF3COOH"	132.026685
"1638592"	717.29428	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+Na+CF3COOH"	136.98208
"1573514"	733.26822	"C08308"	"Hordatine B"	"C29H40N8O5"	"580.3122"	"M+K+CF3COOH"	152.95602
"803516"	218.1419	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M"	0
"988234"	199.12351	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-H2O-H"	-19.01839
"75136"	144.420657333333	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M-3H"	-3.021828
"509233"	217.134624	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M-3H"	-3.021828
"887034"	71.7066906666667	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-3H"	-3.021828
"8891"	217.134624	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M-2H"	-2.014552
"451734"	326.205574	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M-2H"	-2.014552
"826257"	108.063674	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-2H"	-2.014552
"89530"	435.276524	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M-H"	-1.007276
"530185"	653.418424	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M-H"	-1.007276
"901425"	217.134624	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-H"	-1.007276
"55802"	452.303071	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M-2H+NH4"	16.019271
"494267"	670.444971	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M-2H+NH4"	16.019271
"873161"	234.161171	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-2H+NH4"	16.019271
"38876"	457.258466	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M-2H+Na"	20.974666
"478439"	675.400366	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M-2H+Na"	20.974666
"857336"	239.116566	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-2H+Na"	20.974666
"1629057"	239.116566	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Na-2H"	20.974666
"103399"	235.122963	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M-H+Cl"	33.962126
"548427"	344.193913	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M-H+Cl"	33.962126
"939757"	126.052013	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-H+Cl"	33.962126
"280868"	471.253202	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+Cl"	34.969402
"668551"	689.395102	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+Cl"	34.969402
"1274632"	253.111302	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Cl"	34.969402
"17312"	473.232406	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M-2H+K"	36.948606
"457722"	691.374306	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M-2H+K"	36.948606
"840873"	255.090506	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-2H+K"	36.948606
"1562174"	255.090506	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+K-2H"	36.948606
"954432"	263.140094	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-H+HCOOH"	44.998194
"370460"	481.282001	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+HCOOH-H"	44.998201
"355435"	495.297651	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+Hac-H"	59.013851
"1502083"	277.155751	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Hac-H"	59.013851
"971814"	285.122051	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-H+NaCOOH"	66.980151
"116712"	253.111302	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+2Cl"	69.938804
"557002"	362.182252	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+2Cl"	69.938804
"1028353"	144.040352	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2Cl"	69.938804
"1249754"	297.060785	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Br"	78.918885
"1307463"	299.116772	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Cl+HCOOH"	80.974872
"1330793"	321.098729	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Cl+NaCOOH"	102.956829
"923312"	331.127486	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M-H+CF3COOH"	112.985586
"1299653"	367.104164	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Cl+CF3COOH"	148.962264
"1374534"	183.129224	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H-2H2O"	-35.012676
"1397627"	201.1392	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H-H2O"	-17.0027
"294641"	437.291076	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+H"	1.007276
"688523"	655.432976	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+H"	1.007276
"1361587"	219.149176	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H"	1.007276
"136667"	219.149176	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+2H"	2.014552
"580237"	328.220126	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+2H"	2.014552
"1051227"	110.078226	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2H"	2.014552
"218399"	146.435209333333	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+3H"	3.021828
"652493"	219.149176	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+3H"	3.021828
"1170617"	73.7212426666667	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+3H"	3.021828
"431702"	454.317623	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+NH4"	18.033823
"800600"	672.459523	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+NH4"	18.033823
"1692309"	236.175723	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+NH4"	18.033823
"339492"	227.6624495	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+H+NH4"	19.041099
"729726"	336.7333995	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+H+NH4"	19.041099
"1484640"	118.5914995	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H+NH4"	19.041099
"395667"	459.273018	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+Na"	22.989218
"759942"	677.414918	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+Na"	22.989218
"1608042"	241.131118	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Na"	22.989218
"323545"	230.140147	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+H+Na"	23.996494
"715969"	339.211097	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+H+Na"	23.996494
"1471975"	121.069197	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H+Na"	23.996494
"1059753"	81.0485566666667	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2H+Na"	25.00377
"1267991"	251.175386	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+CH3OH+H"	33.033486
"390940"	475.246958	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+K"	38.963158
"746471"	693.388858	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+K"	38.963158
"1546338"	257.105058	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+K"	38.963158
"302422"	238.127117	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+H+K"	39.970434
"692656"	347.198067	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+H+K"	39.970434
"1450850"	129.056167	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H+K"	39.970434
"237265"	478.317626	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+ACN+H"	42.033826
"1218723"	260.175726	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+ACN+H"	42.033826
"1207708"	130.591501	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+ACN+2H"	43.041102
"203377"	481.25496	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+2Na-H"	44.97116
"641600"	699.39686	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+2Na-H"	44.97116
"1141826"	263.11306	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2Na-H"	44.97116
"184753"	241.131118	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+2Na"	45.978436
"621396"	350.202068	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+2Na"	45.978436
"1127090"	132.060168	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2Na"	45.978436
"1411707"	88.3758706666667	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H+2Na"	46.985712
"1441271"	265.154646	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H+HCOOH"	47.012746
"231333"	246.16414	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+3H2O+2H"	56.04448
"1518300"	279.20669	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+IsoProp+H"	61.06479
"422361"	249.118088	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+Na+K"	61.952376
"785140"	358.189038	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+Na+K"	61.952376
"1680418"	140.047138	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Na+K"	61.952376
"262929"	500.299568	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+ACN+Na"	64.015768
"1241284"	282.157668	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+ACN+Na"	64.015768
"1724530"	282.181193	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+NH4+HCOOH"	64.039293
"1185505"	95.7031846666667	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+3Na"	68.967654
"1660866"	287.136588	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Na+HCOOH"	68.994688
"162262"	513.20284	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+2K-H"	76.91904
"599030"	731.34474	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+2K-H"	76.91904
"1087425"	295.06094	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2K-H"	76.91904
"142789"	257.105058	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"2M+2K"	77.926316
"584902"	366.176008	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"3M+2K"	77.926316
"1072696"	148.034108	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2K"	77.926316
"1103351"	297.075492	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2K+H"	78.933592
"1345571"	297.163107	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+DMSO+H"	79.021207
"1011914"	301.202276	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2ACN+H"	83.060376
"1531136"	302.195908	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+IsoProp+Na+H"	84.054008
"996487"	151.104776	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+2ACN+2H"	84.067652
"1590989"	303.110528	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+K+HCOOH"	84.968628
"1427587"	333.142038	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+H+CF3COOH"	115.000138
"1156781"	171.618051	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+3ACN+2H"	125.094202
"1700865"	350.168585	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+NH4+CF3COOH"	132.026685
"1638702"	355.12398	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+Na+CF3COOH"	136.98208
"1571395"	371.09792	"C08309"	"NN-Dimethyl-5-methoxytryptamine;O-Methylbufotenine;Methoxybufotenin;5-Methoxy-NN-dimethyltryptamine;3-2-(NN-Dimethylamino)ethyl-5-methoxy-indole"	"C13H18N2O"	"218.1419"	"M+K+CF3COOH"	152.95602
"814565"	225.1365	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M"	0
"980444"	206.11811	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-H2O-H"	-19.01839
"74159"	149.083724	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M-3H"	-3.021828
"508250"	224.129224	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M-3H"	-3.021828
"889334"	74.038224	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-3H"	-3.021828
"7913"	224.129224	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M-2H"	-2.014552
"448565"	336.697474	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M-2H"	-2.014552
"827461"	111.560974	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-2H"	-2.014552
"86360"	449.265724	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M-H"	-1.007276
"527012"	674.402224	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M-H"	-1.007276
"904816"	224.129224	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-H"	-1.007276
"52630"	466.292271	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M-2H+NH4"	16.019271
"493284"	691.428771	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M-2H+NH4"	16.019271
"871086"	241.155771	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-2H+NH4"	16.019271
"38988"	471.247666	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M-2H+Na"	20.974666
"477457"	696.384166	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M-2H+Na"	20.974666
"857446"	246.111166	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-2H+Na"	20.974666
"1630260"	246.111166	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Na-2H"	20.974666
"107519"	242.117563	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M-H+Cl"	33.962126
"546349"	354.685813	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M-H+Cl"	33.962126
"936588"	129.549313	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-H+Cl"	33.962126
"279886"	485.242402	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+Cl"	34.969402
"665381"	710.378902	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+Cl"	34.969402
"1274502"	260.105902	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Cl"	34.969402
"17301"	487.221606	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M-2H+K"	36.948606
"457104"	712.358106	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M-2H+K"	36.948606
"838796"	262.085106	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-2H+K"	36.948606
"1562648"	262.085106	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+K-2H"	36.948606
"953449"	270.134694	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-H+HCOOH"	44.998194
"369477"	495.271201	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+HCOOH-H"	44.998201
"352630"	509.286851	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+Hac-H"	59.013851
"1500006"	284.150351	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Hac-H"	59.013851
"961353"	292.116651	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-H+NaCOOH"	66.980151
"118646"	260.105902	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+2Cl"	69.938804
"557113"	372.674152	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+2Cl"	69.938804
"1027734"	147.537652	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2Cl"	69.938804
"1248042"	304.055385	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Br"	78.918885
"1307572"	306.111372	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Cl+HCOOH"	80.974872
"1324342"	328.093329	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Cl+NaCOOH"	102.956829
"925610"	338.122086	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M-H+CF3COOH"	112.985586
"1300860"	374.098764	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Cl+CF3COOH"	148.962264
"1381943"	190.123824	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H-2H2O"	-35.012676
"1391055"	208.1338	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H-H2O"	-17.0027
"295115"	451.280276	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+H"	1.007276
"682070"	676.416776	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+H"	1.007276
"1361697"	226.143776	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H"	1.007276
"137870"	226.143776	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+2H"	2.014552
"579255"	338.712026	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+2H"	2.014552
"1050243"	113.575526	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2H"	2.014552
"217416"	151.098276	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+3H"	3.021828
"652604"	226.143776	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+3H"	3.021828
"1170728"	76.052776	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+3H"	3.021828
"430720"	468.306823	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+NH4"	18.033823
"796088"	693.443323	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+NH4"	18.033823
"1686951"	243.170323	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+NH4"	18.033823
"339601"	234.6570495	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+H+NH4"	19.041099
"728741"	347.2252995	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+H+NH4"	19.041099
"1484749"	122.0887995	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H+NH4"	19.041099
"396868"	473.262218	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+Na"	22.989218
"760051"	698.398718	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+Na"	22.989218
"1609242"	248.125718	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Na"	22.989218
"318189"	237.134747	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+H+Na"	23.996494
"713890"	349.702997	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+H+Na"	23.996494
"1469898"	124.566497	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H+Na"	23.996494
"1056582"	83.38009	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2H+Na"	25.00377
"1260447"	258.169986	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+CH3OH+H"	33.033486
"384489"	489.236158	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+K"	38.963158
"745487"	714.372658	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+K"	38.963158
"1546447"	264.099658	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+K"	38.963158
"300345"	245.121717	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+H+K"	39.970434
"699328"	357.689967	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+H+K"	39.970434
"1453148"	132.553467	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H+K"	39.970434
"246124"	492.306826	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+ACN+H"	42.033826
"1221020"	267.170326	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+ACN+H"	42.033826
"1201621"	134.088801	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+ACN+2H"	43.041102
"202514"	495.24416	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+2Na-H"	44.97116
"641344"	720.38066	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+2Na-H"	44.97116
"1137561"	270.10766	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2Na-H"	44.97116
"182674"	248.125718	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+2Na"	45.978436
"621507"	360.693968	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+2Na"	45.978436
"1124649"	135.557468	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2Na"	45.978436
"1411090"	90.707404	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H+2Na"	46.985712
"1441747"	272.149246	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H+HCOOH"	47.012746
"231076"	253.15874	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+3H2O+2H"	56.04448
"1519504"	286.20129	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+IsoProp+H"	61.06479
"419920"	256.112688	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+Na+K"	61.952376
"784197"	368.680938	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+Na+K"	61.952376
"1679806"	143.544438	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Na+K"	61.952376
"267016"	514.288768	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+ACN+Na"	64.015768
"1231380"	289.152268	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+ACN+Na"	64.015768
"1719174"	289.175793	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+NH4+HCOOH"	64.039293
"1186710"	98.034718	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+3Na"	68.967654
"1656237"	294.131188	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Na+HCOOH"	68.994688
"161281"	527.19204	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+2K-H"	76.91904
"599746"	752.32854	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+2K-H"	76.91904
"1086445"	302.05554	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2K-H"	76.91904
"147639"	264.099658	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"2M+2K"	77.926316
"589387"	376.667908	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"3M+2K"	77.926316
"1073900"	151.531408	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2K"	77.926316
"1102123"	304.070092	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2K+H"	78.933592
"1338753"	304.157707	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+DMSO+H"	79.021207
"1010930"	308.196876	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2ACN+H"	83.060376
"1527229"	309.190508	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+IsoProp+Na+H"	84.054008
"994409"	154.602076	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+2ACN+2H"	84.067652
"1588912"	310.105128	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+K+HCOOH"	84.968628
"1420043"	340.136638	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+H+CF3COOH"	115.000138
"1153611"	175.115351	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+3ACN+2H"	125.094202
"1704256"	357.163185	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+NH4+CF3COOH"	132.026685
"1636625"	362.11858	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+Na+CF3COOH"	136.98208
"1579932"	378.09252	"C08310"	"N-Methylmescaline"	"C12H19NO3"	"225.1365"	"M+K+CF3COOH"	152.95602
"803370"	114.0429	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M"	0
"987111"	95.02451	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-H2O-H"	-19.01839
"75357"	75.021324	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M-3H"	-3.021828
"508361"	113.035624	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M-3H"	-3.021828
"889444"	37.007024	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-3H"	-3.021828
"13126"	113.035624	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M-2H"	-2.014552
"451956"	170.057074	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M-2H"	-2.014552
"826479"	56.014174	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-2H"	-2.014552
"88656"	227.078524	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M-H"	-1.007276
"527125"	341.121424	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M-H"	-1.007276
"903832"	113.035624	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-H"	-1.007276
"51647"	244.105071	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M-2H+NH4"	16.019271
"493395"	358.147971	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M-2H+NH4"	16.019271
"871197"	130.062171	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-2H+NH4"	16.019271
"41287"	249.060466	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M-2H+Na"	20.974666
"475381"	363.103366	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M-2H+Na"	20.974666
"859743"	135.017566	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-2H+Na"	20.974666
"1629277"	135.017566	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Na-2H"	20.974666
"105808"	131.023963	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M-H+Cl"	33.962126
"545367"	188.045413	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M-H+Cl"	33.962126
"937791"	74.002513	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-H+Cl"	33.962126
"278902"	263.055202	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+Cl"	34.969402
"669864"	377.098102	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+Cl"	34.969402
"1283729"	149.012302	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Cl"	34.969402
"18629"	265.034406	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M-2H+K"	36.948606
"464751"	379.077306	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M-2H+K"	36.948606
"839271"	150.991506	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-2H+K"	36.948606
"1561300"	150.991506	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+K-2H"	36.948606
"950643"	159.041094	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-H+HCOOH"	44.998194
"367764"	273.084001	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+HCOOH-H"	44.998201
"355660"	287.099651	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+Hac-H"	59.013851
"1504493"	173.056751	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Hac-H"	59.013851
"968755"	181.023051	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-H+NaCOOH"	66.980151
"111828"	149.012302	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+2Cl"	69.938804
"552117"	206.033752	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+2Cl"	69.938804
"1025291"	91.990852	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2Cl"	69.938804
"1244141"	192.961785	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Br"	78.918885
"1306710"	195.017772	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Cl+HCOOH"	80.974872
"1326641"	216.999729	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Cl+NaCOOH"	102.956829
"923532"	227.028486	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M-H+CF3COOH"	112.985586
"1303160"	263.005164	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Cl+CF3COOH"	148.962264
"1379864"	79.030224	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H-2H2O"	-35.012676
"1387885"	97.0402	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H-H2O"	-17.0027
"288666"	229.093076	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+H"	1.007276
"684368"	343.135976	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+H"	1.007276
"1356343"	115.050176	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H"	1.007276
"136887"	115.050176	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+2H"	2.014552
"573169"	172.071626	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+2H"	2.014552
"1045249"	58.028726	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2H"	2.014552
"210964"	77.035876	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+3H"	3.021828
"650523"	115.050176	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+3H"	3.021828
"1165368"	39.021576	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+3H"	3.021828
"424630"	246.119623	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+NH4"	18.033823
"788544"	360.162523	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+NH4"	18.033823
"1687062"	132.076723	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+NH4"	18.033823
"336432"	123.5634495	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+H+NH4"	19.041099
"726666"	180.5848995	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+H+NH4"	19.041099
"1480486"	66.5419995	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H+NH4"	19.041099
"395884"	251.075018	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+Na"	22.989218
"760163"	365.117918	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+Na"	22.989218
"1609356"	137.032118	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Na"	22.989218
"321581"	126.041147	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+H+Na"	23.996494
"717282"	183.062597	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+H+Na"	23.996494
"1474383"	69.019697	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H+Na"	23.996494
"1063255"	46.34889	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2H+Na"	25.00377
"1261652"	147.076386	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+CH3OH+H"	33.033486
"385697"	267.048958	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+K"	38.963158
"746693"	381.091858	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+K"	38.963158
"1543278"	153.006058	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+K"	38.963158
"300454"	134.028117	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+H+K"	39.970434
"698345"	191.049567	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+H+K"	39.970434
"1455447"	77.006667	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H+K"	39.970434
"245142"	270.119626	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+ACN+H"	42.033826
"1218943"	156.076726	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+ACN+H"	42.033826
"1202826"	78.542001	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+ACN+2H"	43.041102
"200073"	273.05696	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+2Na-H"	44.97116
"638541"	387.09986	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+2Na-H"	44.97116
"1142047"	159.01406	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2Na-H"	44.97116
"178776"	137.032118	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+2Na"	45.978436
"620523"	194.053568	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+2Na"	45.978436
"1124031"	80.010668	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2Na"	45.978436
"1410471"	53.676204	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H+2Na"	46.985712
"1435296"	161.055646	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H+HCOOH"	47.012746
"228271"	142.06514	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+3H2O+2H"	56.04448
"1517427"	175.10769	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+IsoProp+H"	61.06479
"417843"	145.019088	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+Na+K"	61.952376
"781756"	202.040538	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+Na+K"	61.952376
"1673355"	87.997638	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Na+K"	61.952376
"262062"	292.101568	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+ACN+Na"	64.015768
"1229305"	178.058668	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+ACN+Na"	64.015768
"1724752"	178.082193	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+NH4+HCOOH"	64.039293
"1184633"	61.003518	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+3Na"	68.967654
"1653800"	183.037588	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Na+HCOOH"	68.994688
"162485"	305.00484	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+2K-H"	76.91904
"599859"	419.04774	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+2K-H"	76.91904
"1086919"	190.96194	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2K-H"	76.91904
"145562"	153.006058	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"2M+2K"	77.926316
"588403"	210.027508	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"3M+2K"	77.926316
"1071456"	95.984608	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2K"	77.926316
"1103938"	192.976492	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2K+H"	78.933592
"1342511"	193.064107	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+DMSO+H"	79.021207
"1013226"	197.103276	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2ACN+H"	83.060376
"1532445"	198.096908	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+IsoProp+Na+H"	84.054008
"993428"	99.055276	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+2ACN+2H"	84.067652
"1592307"	199.011528	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+K+HCOOH"	84.968628
"1420153"	229.043038	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+H+CF3COOH"	115.000138
"1153721"	119.568551	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+3ACN+2H"	125.094202
"1698898"	246.069585	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+NH4+CF3COOH"	132.026685
"1636005"	251.02498	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+Na+CF3COOH"	136.98208
"1580042"	266.99892	"C08311"	"Muscimol"	"C4H6N2O2"	"114.0429"	"M+K+CF3COOH"	152.95602
"801588"	204.1263	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M"	0
"987221"	185.10791	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-H2O-H"	-19.01839
"76559"	135.076924	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M-3H"	-3.021828
"512839"	203.119024	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M-3H"	-3.021828
"888460"	67.034824	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-3H"	-3.021828
"10318"	203.119024	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M-2H"	-2.014552
"449878"	305.182174	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M-2H"	-2.014552
"826589"	101.055874	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-2H"	-2.014552
"89860"	407.245324	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M-H"	-1.007276
"528329"	611.371624	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M-H"	-1.007276
"906128"	203.119024	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-H"	-1.007276
"58317"	424.271871	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M-2H+NH4"	16.019271
"491317"	628.398171	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M-2H+NH4"	16.019271
"866931"	220.145571	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-2H+NH4"	16.019271
"34833"	429.227266	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M-2H+Na"	20.974666
"475489"	633.353566	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M-2H+Na"	20.974666
"857666"	225.100966	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-2H+Na"	20.974666
"1627200"	225.100966	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Na-2H"	20.974666
"107742"	221.107363	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M-H+Cl"	33.962126
"546571"	323.170513	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M-H+Cl"	33.962126
"938994"	119.044213	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-H+Cl"	33.962126
"277554"	443.222002	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+Cl"	34.969402
"672162"	647.348302	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+Cl"	34.969402
"1283110"	239.095702	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Cl"	34.969402
"20561"	445.201206	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M-2H+K"	36.948606
"466683"	649.327506	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M-2H+K"	36.948606
"845214"	241.074906	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-2H+K"	36.948606
"1561410"	241.074906	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+K-2H"	36.948606
"952576"	249.124494	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-H+HCOOH"	44.998194
"367874"	453.250801	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+HCOOH-H"	44.998201
"356499"	467.266451	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+Hac-H"	59.013851
"1504240"	263.140151	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Hac-H"	59.013851
"967774"	271.106451	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-H+NaCOOH"	66.980151
"114854"	239.095702	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+2Cl"	69.938804
"555143"	341.158852	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+2Cl"	69.938804
"1025037"	137.032552	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2Cl"	69.938804
"1242793"	283.045185	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Br"	78.918885
"1306335"	285.101172	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Cl+HCOOH"	80.974872
"1328937"	307.083129	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Cl+NaCOOH"	102.956829
"920726"	317.111886	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M-H+CF3COOH"	112.985586
"1303512"	353.088564	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Cl+CF3COOH"	148.962264
"1381798"	169.113624	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H-2H2O"	-35.012676
"1387267"	187.1236	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H-H2O"	-17.0027
"289870"	409.259876	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+H"	1.007276
"684479"	613.386176	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+H"	1.007276
"1357546"	205.133576	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H"	1.007276
"138091"	205.133576	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+2H"	2.014552
"577652"	307.196726	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+2H"	2.014552
"1048639"	103.070426	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2H"	2.014552
"207430"	137.091476	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+3H"	3.021828
"646989"	205.133576	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+3H"	3.021828
"1173132"	69.049376	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+3H"	3.021828
"424977"	426.286423	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+NH4"	18.033823
"790111"	630.412723	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+NH4"	18.033823
"1682184"	222.160123	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+NH4"	18.033823
"339823"	213.6468495	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+H+NH4"	19.041099
"728963"	315.7099995	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+H+NH4"	19.041099
"1482783"	111.5836995	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H+NH4"	19.041099
"397089"	431.241818	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+Na"	22.989218
"761367"	635.368118	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+Na"	22.989218
"1610560"	227.115518	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Na"	22.989218
"321690"	216.124547	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+H+Na"	23.996494
"715205"	318.187697	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+H+Na"	23.996494
"1474494"	114.061397	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H+Na"	23.996494
"1063365"	76.37669	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2H+Na"	25.00377
"1266137"	237.159786	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+CH3OH+H"	33.033486
"385807"	447.215758	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+K"	38.963158
"746804"	651.342058	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+K"	38.963158
"1543385"	243.089458	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+K"	38.963158
"300929"	224.111517	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+H+K"	39.970434
"694080"	326.174667	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+H+K"	39.970434
"1448994"	122.048367	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H+K"	39.970434
"240876"	450.286426	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+ACN+H"	42.033826
"1216865"	246.160126	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+ACN+H"	42.033826
"1200749"	123.583701	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+ACN+2H"	43.041102
"201276"	453.22376	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+2Na-H"	44.97116
"637557"	657.35006	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+2Na-H"	44.97116
"1141064"	249.09746	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2Na-H"	44.97116
"181073"	227.115518	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+2Na"	45.978436
"621728"	329.178668	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+2Na"	45.978436
"1126327"	125.052368	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2Na"	45.978436
"1409850"	83.704004	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H+2Na"	46.985712
"1441602"	251.139046	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H+HCOOH"	47.012746
"229474"	232.14854	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+3H2O+2H"	56.04448
"1518631"	265.19109	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+IsoProp+H"	61.06479
"417953"	235.102488	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+Na+K"	61.952376
"781867"	337.165638	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+Na+K"	61.952376
"1675287"	133.039338	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Na+K"	61.952376
"263995"	472.268368	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+ACN+Na"	64.015768
"1233789"	268.142068	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+ACN+Na"	64.015768
"1724862"	268.165593	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+NH4+HCOOH"	64.039293
"1183650"	91.031318	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+3Na"	68.967654
"1660106"	273.120988	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Na+HCOOH"	68.994688
"159679"	485.17164	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+2K-H"	76.91904
"600333"	689.29794	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+2K-H"	76.91904
"1088486"	281.04534	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2K-H"	76.91904
"145672"	243.089458	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"2M+2K"	77.926316
"588513"	345.152608	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"3M+2K"	77.926316
"1071932"	141.026308	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2K"	77.926316
"1104048"	283.059892	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2K+H"	78.933592
"1345901"	283.147507	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+DMSO+H"	79.021207
"1011150"	287.186676	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2ACN+H"	83.060376
"1531462"	288.180308	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+IsoProp+Na+H"	84.054008
"994632"	144.096976	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+2ACN+2H"	84.067652
"1592417"	289.094928	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+K+HCOOH"	84.968628
"1423543"	319.126438	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+H+CF3COOH"	115.000138
"1157111"	164.610251	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+3ACN+2H"	125.094202
"1700101"	336.152985	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+NH4+CF3COOH"	132.026685
"1635751"	341.10838	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+Na+CF3COOH"	136.98208
"1580152"	357.08232	"C08312"	"Psilocin"	"C12H16N2O"	"204.1263"	"M+K+CF3COOH"	152.95602
"810517"	131.0735	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M"	0
"988792"	112.05511	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-H2O-H"	-19.01839
"77644"	86.3750573333333	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M-3H"	-3.021828
"514042"	130.066224	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M-3H"	-3.021828
"883102"	42.6838906666667	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-3H"	-3.021828
"10427"	130.066224	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M-2H"	-2.014552
"451810"	195.602974	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M-2H"	-2.014552
"827791"	64.529474	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-2H"	-2.014552
"89971"	261.139724	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M-H"	-1.007276
"528437"	392.213224	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M-H"	-1.007276
"900773"	130.066224	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-H"	-1.007276
"56240"	278.166271	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M-2H+NH4"	16.019271
"490334"	409.239771	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M-2H+NH4"	16.019271
"865822"	147.092771	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-2H+NH4"	16.019271
"33850"	283.121666	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M-2H+Na"	20.974666
"476692"	414.195166	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M-2H+Na"	20.974666
"857776"	152.048166	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-2H+Na"	20.974666
"1627310"	152.048166	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Na-2H"	20.974666
"108216"	148.054563	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M-H+Cl"	33.962126
"546681"	213.591313	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M-H+Cl"	33.962126
"936917"	82.517813	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-H+Cl"	33.962126
"275475"	297.116402	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+Cl"	34.969402
"668990"	428.189902	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+Cl"	34.969402
"1281761"	166.042902	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Cl"	34.969402
"20671"	299.095606	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M-2H+K"	36.948606
"464605"	430.169106	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M-2H+K"	36.948606
"843502"	168.022106	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-2H+K"	36.948606
"1559333"	168.022106	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+K-2H"	36.948606
"945757"	176.071694	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-H+HCOOH"	44.998194
"367255"	307.145201	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+HCOOH-H"	44.998201
"351139"	321.160851	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+Hac-H"	59.013851
"1502525"	190.087351	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Hac-H"	59.013851
"967881"	198.053651	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-H+NaCOOH"	66.980151
"118245"	166.042902	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+2Cl"	69.938804
"552701"	231.579652	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+2Cl"	69.938804
"1024051"	100.506152	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2Cl"	69.938804
"1243629"	209.992385	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Br"	78.918885
"1304984"	212.048372	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Cl+HCOOH"	80.974872
"1320657"	234.030329	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Cl+NaCOOH"	102.956829
"913177"	244.059086	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M-H+CF3COOH"	112.985586
"1292072"	280.035764	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Cl+CF3COOH"	148.962264
"1374974"	96.060824	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H-2H2O"	-35.012676
"1393568"	114.0708	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H-H2O"	-17.0027
"297752"	263.154276	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+H"	1.007276
"685682"	394.227776	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+H"	1.007276
"1357656"	132.080776	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H"	1.007276
"138201"	132.080776	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+2H"	2.014552
"578857"	197.617526	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+2H"	2.014552
"1047658"	66.544026	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2H"	2.014552
"208999"	88.3896093333333	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+3H"	3.021828
"648558"	132.080776	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+3H"	3.021828
"1172150"	44.6984426666667	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+3H"	3.021828
"425215"	280.180823	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+NH4"	18.033823
"789128"	411.254323	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+NH4"	18.033823
"1685093"	149.107323	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+NH4"	18.033823
"337749"	140.5940495	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+H+NH4"	19.041099
"729074"	206.1307995	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+H+NH4"	19.041099
"1481800"	75.0572995	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H+NH4"	19.041099
"394282"	285.136218	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+Na"	22.989218
"761478"	416.209718	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+Na"	22.989218
"1609576"	154.062718	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Na"	22.989218
"322894"	143.071747	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+H+Na"	23.996494
"712033"	208.608497	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+H+Na"	23.996494
"1472417"	77.534997	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H+Na"	23.996494
"1064568"	52.0257566666667	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2H+Na"	25.00377
"1262968"	164.106986	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+CH3OH+H"	33.033486
"384823"	301.110158	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+K"	38.963158
"748007"	432.183658	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+K"	38.963158
"1542403"	170.036658	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+K"	38.963158
"299946"	151.058717	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+H+K"	39.970434
"695284"	216.595467	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+H+K"	39.970434
"1447646"	85.521967	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H+K"	39.970434
"240987"	304.180826	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+ACN+H"	42.033826
"1215884"	173.107326	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+ACN+H"	42.033826
"1204141"	87.057301	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+ACN+2H"	43.041102
"201386"	307.11816	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+2Na-H"	44.97116
"640948"	438.19166	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+2Na-H"	44.97116
"1142268"	176.04466	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2Na-H"	44.97116
"181184"	154.062718	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+2Na"	45.978436
"623660"	219.599468	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+2Na"	45.978436
"1128625"	88.525968	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2Na"	45.978436
"1411419"	59.3530706666667	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H+2Na"	46.985712
"1441348"	178.086246	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H+HCOOH"	47.012746
"229584"	159.09574	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+3H2O+2H"	56.04448
"1517648"	192.13829	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+IsoProp+H"	61.06479
"418063"	162.049688	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+Na+K"	61.952376
"780518"	227.586438	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+Na+K"	61.952376
"1679652"	96.512938	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Na+K"	61.952376
"264470"	326.162768	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+ACN+Na"	64.015768
"1233898"	195.089268	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+ACN+Na"	64.015768
"1723879"	195.112793	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+NH4+HCOOH"	64.039293
"1190687"	66.6803846666667	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+3Na"	68.967654
"1659124"	200.068188	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Na+HCOOH"	68.994688
"160882"	339.06604	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+2K-H"	76.91904
"603355"	470.13954	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+2K-H"	76.91904
"1087868"	207.99254	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2K-H"	76.91904
"144688"	170.036658	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"2M+2K"	77.926316
"588623"	235.573408	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"3M+2K"	77.926316
"1074229"	104.499908	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2K"	77.926316
"1109625"	210.007092	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2K+H"	78.933592
"1346011"	210.094707	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+DMSO+H"	79.021207
"1012354"	214.133876	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2ACN+H"	83.060376
"1531571"	215.127508	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+IsoProp+Na+H"	84.054008
"995833"	107.570576	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+2ACN+2H"	84.067652
"1590337"	216.042128	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+K+HCOOH"	84.968628
"1415998"	246.073638	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+H+CF3COOH"	115.000138
"1153941"	128.083851	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+3ACN+2H"	125.094202
"1699118"	263.100185	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+NH4+CF3COOH"	132.026685
"1635861"	268.05558	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+Na+CF3COOH"	136.98208
"1580262"	284.02952	"C08313"	"Skatole;3-Methylindole"	"C9H9N"	"131.0735"	"M+K+CF3COOH"	152.95602
"810627"	316.2614	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M"	0
"987445"	297.24301	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-H2O-H"	-19.01839
"77872"	209.833657333333	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M-3H"	-3.021828
"513060"	315.254124	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M-3H"	-3.021828
"883213"	104.413190666667	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-3H"	-3.021828
"9445"	315.254124	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M-2H"	-2.014552
"451191"	473.384824	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M-2H"	-2.014552
"825715"	157.123424	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-2H"	-2.014552
"86801"	631.515524	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M-H"	-1.007276
"526362"	947.776924	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M-H"	-1.007276
"898697"	315.254124	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-H"	-1.007276
"49790"	648.542071	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M-2H+NH4"	16.019271
"489351"	964.803471	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M-2H+NH4"	16.019271
"864289"	332.280671	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-2H+NH4"	16.019271
"31566"	653.497466	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M-2H+Na"	20.974666
"478991"	969.758866	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M-2H+Na"	20.974666
"860074"	337.236066	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-2H+Na"	20.974666
"1633619"	337.236066	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Na-2H"	20.974666
"105044"	333.242463	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M-H+Cl"	33.962126
"546791"	491.373163	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M-H+Cl"	33.962126
"937027"	175.111763	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-H+Cl"	33.962126
"277773"	667.492202	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+Cl"	34.969402
"670193"	983.753602	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+Cl"	34.969402
"1284785"	351.230802	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Cl"	34.969402
"26249"	669.471406	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M-2H+K"	36.948606
"466903"	985.732806	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M-2H+K"	36.948606
"841424"	353.210006	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-2H+K"	36.948606
"1561630"	353.210006	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+K-2H"	36.948606
"946232"	361.259594	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-H+HCOOH"	44.998194
"367001"	677.521001	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+HCOOH-H"	44.998201
"352708"	691.536651	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+Hac-H"	59.013851
"1502635"	375.275251	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Hac-H"	59.013851
"967991"	383.241551	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-H+NaCOOH"	66.980151
"119084"	351.230802	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+2Cl"	69.938804
"555363"	509.361502	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+2Cl"	69.938804
"1024890"	193.100102	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2Cl"	69.938804
"1243011"	395.180285	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Br"	78.918885
"1305823"	397.236272	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Cl+HCOOH"	80.974872
"1322227"	419.218229	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Cl+NaCOOH"	102.956829
"915108"	429.246986	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M-H+CF3COOH"	112.985586
"1292547"	465.223664	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Cl+CF3COOH"	148.962264
"1369977"	281.248724	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H-2H2O"	-35.012676
"1387111"	299.2587	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H-H2O"	-17.0027
"297011"	633.530076	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+H"	1.007276
"686883"	949.791476	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+H"	1.007276
"1361046"	317.268676	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H"	1.007276
"137947"	317.268676	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+2H"	2.014552
"578968"	475.399376	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+2H"	2.014552
"1049589"	159.137976	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2H"	2.014552
"212386"	211.848209333333	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+3H"	3.021828
"651949"	317.268676	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+3H"	3.021828
"1171168"	106.427742666667	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+3H"	3.021828
"425325"	650.556623	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+NH4"	18.033823
"788508"	966.818023	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+NH4"	18.033823
"1687393"	334.295223	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+NH4"	18.033823
"337856"	325.7819495	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+H+NH4"	19.041099
"728092"	483.9126495	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+H+NH4"	19.041099
"1481912"	167.6512495	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H+NH4"	19.041099
"396216"	655.512018	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+Na"	22.989218
"760496"	971.773418	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+Na"	22.989218
"1610780"	339.250618	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Na"	22.989218
"326284"	328.259647	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+H+Na"	23.996494
"717246"	486.390347	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+H+Na"	23.996494
"1474714"	170.128947	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H+Na"	23.996494
"1065407"	113.755056666667	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2H+Na"	25.00377
"1261984"	349.294886	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+CH3OH+H"	33.033486
"384933"	671.485958	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+K"	38.963158
"743743"	987.747358	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+K"	38.963158
"1541781"	355.224558	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+K"	38.963158
"300785"	336.246617	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+H+K"	39.970434
"695394"	494.377317	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+H+K"	39.970434
"1451403"	178.115917	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H+K"	39.970434
"240003"	674.556626	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+ACN+H"	42.033826
"1217085"	358.295226	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+ACN+H"	42.033826
"1202064"	179.651251	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+ACN+2H"	43.041102
"199309"	677.49396	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+2Na-H"	44.97116
"638870"	993.75536	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+2Na-H"	44.97116
"1144564"	361.23256	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2Na-H"	44.97116
"183480"	339.250618	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+2Na"	45.978436
"624864"	497.381318	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+2Na"	45.978436
"1128369"	181.119918	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2Na"	45.978436
"1412258"	121.082370666667	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H+2Na"	46.985712
"1440363"	363.274146	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H+HCOOH"	47.012746
"232246"	344.28364	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+3H2O+2H"	56.04448
"1518851"	377.32619	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+IsoProp+H"	61.06479
"419266"	347.237588	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+Na+K"	61.952376
"777346"	505.368288	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+Na+K"	61.952376
"1680369"	189.106888	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Na+K"	61.952376
"265916"	696.538568	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+ACN+Na"	64.015768
"1237289"	380.277168	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+ACN+Na"	64.015768
"1722896"	380.300693	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+NH4+HCOOH"	64.039293
"1190797"	128.409684666667	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+3Na"	68.967654
"1659234"	385.256088	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Na+HCOOH"	68.994688
"161722"	709.44184	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+2K-H"	76.91904
"600550"	1025.70324	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+2K-H"	76.91904
"1093446"	393.18044	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2K-H"	76.91904
"145892"	355.224558	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"2M+2K"	77.926316
"583993"	513.355258	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"3M+2K"	77.926316
"1074339"	197.093858	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2K"	77.926316
"1106455"	395.194992	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2K+H"	78.933592
"1341747"	395.282607	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+DMSO+H"	79.021207
"1013557"	399.321776	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2ACN+H"	83.060376
"1530590"	400.315408	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+IsoProp+Na+H"	84.054008
"995943"	200.164526	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+2ACN+2H"	84.067652
"1593728"	401.230028	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+K+HCOOH"	84.968628
"1420482"	431.261538	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+H+CF3COOH"	115.000138
"1157331"	220.677801	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+3ACN+2H"	125.094202
"1701415"	448.288085	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+NH4+CF3COOH"	132.026685
"1636335"	453.24348	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+Na+CF3COOH"	136.98208
"1580372"	469.21742	"C08314"	"(9R10R)-Dihydroxyoctadecanoic acid;910-Dihydroxystearic acid"	"C18H36O4"	"316.2614"	"M+K+CF3COOH"	152.95602
"810737"	278.2246	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M"	0
"987919"	259.20621	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-H2O-H"	-19.01839
"75795"	184.475790666667	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M-3H"	-3.021828
"510982"	277.217324	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M-3H"	-3.021828
"883321"	91.7342573333333	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-3H"	-3.021828
"7366"	277.217324	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M-2H"	-2.014552
"441579"	416.329624	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M-2H"	-2.014552
"823635"	138.105024	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-2H"	-2.014552
"82535"	555.441924	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M-H"	-1.007276
"524281"	833.666524	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M-H"	-1.007276
"902083"	277.217324	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-H"	-1.007276
"53178"	572.468471	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M-2H+NH4"	16.019271
"487674"	850.693071	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M-2H+NH4"	16.019271
"865066"	294.243871	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-2H+NH4"	16.019271
"33694"	577.423866	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M-2H+Na"	20.974666
"471848"	855.648466	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M-2H+Na"	20.974666
"848959"	299.199266	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-2H+Na"	20.974666
"1626436"	299.199266	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Na-2H"	20.974666
"104058"	295.205663	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M-H+Cl"	33.962126
"543620"	434.317963	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M-H+Cl"	33.962126
"936043"	156.093363	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-H+Cl"	33.962126
"273509"	591.418602	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+Cl"	34.969402
"664834"	869.643202	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+Cl"	34.969402
"1278332"	313.194002	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Cl"	34.969402
"20891"	593.397806	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M-2H+K"	36.948606
"463732"	871.622406	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M-2H+K"	36.948606
"839346"	315.173206	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-2H+K"	36.948606
"1562834"	315.173206	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+K-2H"	36.948606
"947434"	323.222794	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-H+HCOOH"	44.998194
"364192"	601.447401	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+HCOOH-H"	44.998201
"347345"	615.463051	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+Hac-H"	59.013851
"1497274"	337.238451	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Hac-H"	59.013851
"964818"	345.204751	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-H+NaCOOH"	66.980151
"112630"	313.194002	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+2Cl"	69.938804
"559847"	452.306302	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+2Cl"	69.938804
"1029741"	174.081702	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2Cl"	69.938804
"1244581"	357.143485	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Br"	78.918885
"1312860"	359.199472	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Cl+HCOOH"	80.974872
"1321244"	381.181429	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Cl+NaCOOH"	102.956829
"912666"	391.210186	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M-H+CF3COOH"	112.985586
"1292657"	427.186864	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Cl+CF3COOH"	148.962264
"1367901"	243.211924	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H-2H2O"	-35.012676
"1388314"	261.2219	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H-H2O"	-17.0027
"296392"	557.456476	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+H"	1.007276
"690761"	835.681076	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+H"	1.007276
"1363343"	279.231876	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H"	1.007276
"139515"	279.231876	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+2H"	2.014552
"580171"	418.344176	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+2H"	2.014552
"1050065"	140.119576	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2H"	2.014552
"211403"	186.490342666667	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+3H"	3.021828
"648779"	279.231876	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+3H"	3.021828
"1169089"	93.7488093333333	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+3H"	3.021828
"427258"	574.483023	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+NH4"	18.033823
"790077"	852.707623	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+NH4"	18.033823
"1690784"	296.258423	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+NH4"	18.033823
"336873"	287.7451495	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+H+NH4"	19.041099
"728569"	426.8574495	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+H+NH4"	19.041099
"1484210"	148.6328495	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H+NH4"	19.041099
"396326"	579.438418	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+Na"	22.989218
"760606"	857.663018	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+Na"	22.989218
"1608704"	301.213818	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Na"	22.989218
"324207"	290.222847	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+H+Na"	23.996494
"715534"	429.335147	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+H+Na"	23.996494
"1472271"	151.110547	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H+Na"	23.996494
"1064422"	101.076123333333	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2H+Na"	25.00377
"1261728"	311.258086	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+CH3OH+H"	33.033486
"383949"	595.412358	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+K"	38.963158
"740572"	873.636958	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+K"	38.963158
"1540010"	317.187758	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+K"	38.963158
"298719"	298.209817	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+H+K"	39.970434
"693317"	437.322117	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+H+K"	39.970434
"1449326"	159.097517	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H+K"	39.970434
"237926"	598.483026	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+ACN+H"	42.033826
"1216103"	320.258426	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+ACN+H"	42.033826
"1198894"	160.632851	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+ACN+2H"	43.041102
"193952"	601.42036	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+2Na-H"	44.97116
"634607"	879.64496	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+2Na-H"	44.97116
"1135926"	323.19576	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2Na-H"	44.97116
"178124"	301.213818	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+2Na"	45.978436
"623880"	440.326118	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+2Na"	45.978436
"1124470"	162.101518	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2Na"	45.978436
"1410544"	108.403437333333	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H+2Na"	46.985712
"1440473"	325.237346	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H+HCOOH"	47.012746
"226523"	306.24684	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+3H2O+2H"	56.04448
"1516775"	339.28939	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+H"	61.06479
"417553"	309.200788	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+Na+K"	61.952376
"777456"	448.313088	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+Na+K"	61.952376
"1678170"	170.088488	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Na+K"	61.952376
"264325"	620.464968	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+ACN+Na"	64.015768
"1240438"	342.240368	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+ACN+Na"	64.015768
"1725193"	342.263893	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+NH4+HCOOH"	64.039293
"1186169"	115.730751333333	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+3Na"	68.967654
"1654971"	347.219288	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Na+HCOOH"	68.994688
"161832"	633.36824	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+2K-H"	76.91904
"598838"	911.59284	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+2K-H"	76.91904
"1088090"	355.14364	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2K-H"	76.91904
"144906"	317.187758	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"2M+2K"	77.926316
"585562"	456.300058	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"3M+2K"	77.926316
"1074449"	178.075458	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2K"	77.926316
"1106565"	357.158192	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2K+H"	78.933592
"1338577"	357.245807	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+DMSO+H"	79.021207
"1012574"	361.284976	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2ACN+H"	83.060376
"1530700"	362.278608	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+Na+H"	84.054008
"993867"	181.146126	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+2ACN+2H"	84.067652
"1593838"	363.193228	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+K+HCOOH"	84.968628
"1420592"	393.224738	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+H+CF3COOH"	115.000138
"1150881"	201.659401	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+3ACN+2H"	125.094202
"1698244"	410.251285	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+NH4+CF3COOH"	132.026685
"1636081"	415.20668	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+Na+CF3COOH"	136.98208
"1580482"	431.18062	"C08315"	"(9Z11E13E)-Octadecatrienoic acid;(9Z11E13E)-91113-Octadecatrienoic acid;alpha-Eleostearic acid"	"C18H30O2"	"278.2246"	"M+K+CF3COOH"	152.95602
"810847"	338.3185	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M"	0
"987664"	319.30011	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-H2O-H"	-19.01839
"77856"	224.538390666667	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M-3H"	-3.021828
"515467"	337.311224	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M-3H"	-3.021828
"885620"	111.765557333333	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-3H"	-3.021828
"10757"	337.311224	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M-2H"	-2.014552
"444848"	506.470474	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M-2H"	-2.014552
"819370"	168.151974	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-2H"	-2.014552
"82644"	675.629724	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M-H"	-1.007276
"526578"	1013.948224	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M-H"	-1.007276
"901099"	337.311224	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-H"	-1.007276
"51101"	692.656271	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M-2H+NH4"	16.019271
"487863"	1030.974771	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M-2H+NH4"	16.019271
"864693"	354.337771	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-2H+NH4"	16.019271
"32470"	697.611666	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M-2H+Na"	20.974666
"472890"	1035.930166	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M-2H+Na"	20.974666
"850449"	359.293166	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-2H+Na"	20.974666
"1625452"	359.293166	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Na-2H"	20.974666
"106354"	355.299563	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M-H+Cl"	33.962126
"545916"	524.458813	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M-H+Cl"	33.962126
"939068"	186.140313	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-H+Cl"	33.962126
"275805"	711.606402	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+Cl"	34.969402
"666037"	1049.924902	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+Cl"	34.969402
"1278443"	373.287902	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Cl"	34.969402
"18449"	713.585606	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M-2H+K"	36.948606
"461656"	1051.904106	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M-2H+K"	36.948606
"839456"	375.267106	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-2H+K"	36.948606
"1561850"	375.267106	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+K-2H"	36.948606
"950824"	383.316694	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-H+HCOOH"	44.998194
"365395"	721.635201	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+HCOOH-H"	44.998201
"347819"	735.650851	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+Hac-H"	59.013851
"1495196"	397.332351	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Hac-H"	59.013851
"966021"	405.298651	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-H+NaCOOH"	66.980151
"113832"	373.287902	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+2Cl"	69.938804
"561050"	542.447152	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+2Cl"	69.938804
"1032037"	204.128652	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2Cl"	69.938804
"1245055"	417.237385	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Br"	78.918885
"1311877"	419.293372	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Cl+HCOOH"	80.974872
"1321719"	441.275329	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Cl+NaCOOH"	102.956829
"913139"	451.304086	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M-H+CF3COOH"	112.985586
"1290216"	487.280764	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Cl+CF3COOH"	148.962264
"1370197"	303.305824	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H-2H2O"	-35.012676
"1386966"	321.3158	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H-H2O"	-17.0027
"294678"	677.644276	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+H"	1.007276
"690387"	1015.962776	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+H"	1.007276
"1363454"	339.325776	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H"	1.007276
"140718"	339.325776	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+2H"	2.014552
"574812"	508.485026	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+2H"	2.014552
"1049082"	170.166526	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2H"	2.014552
"214794"	226.552942666667	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+3H"	3.021828
"651077"	339.325776	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+3H"	3.021828
"1167377"	113.780109333333	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+3H"	3.021828
"428461"	694.670823	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+NH4"	18.033823
"791281"	1032.989323	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+NH4"	18.033823
"1689798"	356.352323	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+NH4"	18.033823
"338079"	347.8390495	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+H+NH4"	19.041099
"726125"	516.9982995	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+H+NH4"	19.041099
"1484320"	178.6797995	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H+NH4"	19.041099
"398625"	699.626218	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+Na"	22.989218
"762903"	1037.944718	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+Na"	22.989218
"1610999"	361.307718	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Na"	22.989218
"323223"	350.316747	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+H+Na"	23.996494
"718926"	519.475997	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+H+Na"	23.996494
"1471651"	181.157497	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H+Na"	23.996494
"1062346"	121.107423333333	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2H+Na"	25.00377
"1261111"	371.351986	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+CH3OH+H"	33.033486
"384059"	715.600158	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+K"	38.963158
"742871"	1053.918658	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+K"	38.963158
"1541639"	377.281658	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+K"	38.963158
"300640"	358.303717	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+H+K"	39.970434
"693427"	527.462967	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+H+K"	39.970434
"1449436"	189.144467	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H+K"	39.970434
"241318"	718.670826	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+ACN+H"	42.033826
"1220588"	380.352326	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+ACN+H"	42.033826
"1203378"	190.679801	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+ACN+2H"	43.041102
"198437"	721.60816	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+2Na-H"	44.97116
"634718"	1059.92666	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+2Na-H"	44.97116
"1139318"	383.28966	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2Na-H"	44.97116
"181515"	361.307718	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+2Na"	45.978436
"623261"	530.466968	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+2Na"	45.978436
"1122393"	192.148468	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2Na"	45.978436
"1408104"	128.434737333333	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H+2Na"	46.985712
"1441677"	385.331246	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H+HCOOH"	47.012746
"226633"	366.34074	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+3H2O+2H"	56.04448
"1512511"	399.38329	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+IsoProp+H"	61.06479
"414383"	369.294688	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+Na+K"	61.952376
"774287"	538.453938	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+Na+K"	61.952376
"1680106"	200.135438	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Na+K"	61.952376
"266503"	740.652768	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+ACN+Na"	64.015768
"1240185"	402.334268	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+ACN+Na"	64.015768
"1726395"	402.357793	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+NH4+HCOOH"	64.039293
"1189559"	135.762051333333	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+3Na"	68.967654
"1657269"	407.313188	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Na+HCOOH"	68.994688
"164129"	753.55604	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+2K-H"	76.91904
"601500"	1091.87454	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+2K-H"	76.91904
"1091482"	415.23754	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2K-H"	76.91904
"146111"	377.281658	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"2M+2K"	77.926316
"592233"	546.440908	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"3M+2K"	77.926316
"1071642"	208.122408	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2K"	77.926316
"1106675"	417.252092	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2K+H"	78.933592
"1337956"	417.339707	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+DMSO+H"	79.021207
"1007944"	421.378876	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2ACN+H"	83.060376
"1530810"	422.372508	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+IsoProp+Na+H"	84.054008
"995071"	211.193076	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+2ACN+2H"	84.067652
"1596135"	423.287128	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+K+HCOOH"	84.968628
"1416327"	453.318638	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+H+CF3COOH"	115.000138
"1149896"	231.706351	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+3ACN+2H"	125.094202
"1700540"	470.345185	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+NH4+CF3COOH"	132.026685
"1636192"	475.30058	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+Na+CF3COOH"	136.98208
"1580592"	491.27452	"C08316"	"Erucic acid;(13Z)-Docosenoic acid;cis-13-Docosenoic acid"	"C22H42O2"	"338.3185"	"M+K+CF3COOH"	152.95602
"816677"	216.1725	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M"	0
"989362"	197.15411	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-H2O-H"	-19.01839
"78205"	143.107724	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M-3H"	-3.021828
"512296"	215.165224	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M-3H"	-3.021828
"880989"	71.050224	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-3H"	-3.021828
"3208"	215.165224	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M-2H"	-2.014552
"442771"	323.251474	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M-2H"	-2.014552
"824944"	107.078974	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-2H"	-2.014552
"81660"	431.337724	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M-H"	-1.007276
"527782"	647.510224	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M-H"	-1.007276
"899025"	215.165224	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-H"	-1.007276
"52304"	448.364271	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M-2H+NH4"	16.019271
"490772"	664.536771	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M-2H+NH4"	16.019271
"864925"	232.191771	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-2H+NH4"	16.019271
"32099"	453.319666	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M-2H+Na"	20.974666
"473123"	669.492166	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M-2H+Na"	20.974666
"854936"	237.147166	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-2H+Na"	20.974666
"1626657"	237.147166	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Na-2H"	20.974666
"99906"	233.153563	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M-H+Cl"	33.962126
"538374"	341.239813	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M-H+Cl"	33.962126
"929338"	125.067313	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-H+Cl"	33.962126
"270083"	467.314402	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+Cl"	34.969402
"661775"	683.486902	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+Cl"	34.969402
"1275272"	251.141902	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Cl"	34.969402
"18922"	469.293606	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M-2H+K"	36.948606
"457754"	685.466106	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M-2H+K"	36.948606
"834824"	253.121106	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-2H+K"	36.948606
"1561960"	253.121106	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+K-2H"	36.948606
"947658"	261.170694	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-H+HCOOH"	44.998194
"364776"	477.343201	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+HCOOH-H"	44.998201
"350484"	491.358851	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+Hac-H"	59.013851
"1494574"	275.186351	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Hac-H"	59.013851
"961390"	283.152651	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-H+NaCOOH"	66.980151
"116133"	251.141902	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+2Cl"	69.938804
"556787"	359.228152	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+2Cl"	69.938804
"1026313"	143.055652	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2Cl"	69.938804
"1246986"	295.091385	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Br"	78.918885
"1308703"	297.147372	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Cl+HCOOH"	80.974872
"1321096"	319.129329	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Cl+NaCOOH"	102.956829
"912153"	329.158086	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M-H+CF3COOH"	112.985586
"1291421"	365.134764	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Cl+CF3COOH"	148.962264
"1372499"	181.159824	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H-2H2O"	-35.012676
"1391819"	199.1698	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H-H2O"	-17.0027
"297712"	433.352276	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+H"	1.007276
"690863"	649.524776	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+H"	1.007276
"1362473"	217.179776	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H"	1.007276
"140829"	217.179776	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+2H"	2.014552
"572735"	325.266026	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+2H"	2.014552
"1048098"	109.093526	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2H"	2.014552
"210531"	145.122276	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+3H"	3.021828
"654466"	217.179776	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+3H"	3.021828
"1167486"	73.064776	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+3H"	3.021828
"429301"	450.378823	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+NH4"	18.033823
"794670"	666.551323	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+NH4"	18.033823
"1691001"	234.206323	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+NH4"	18.033823
"337095"	225.6930495	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+H+NH4"	19.041099
"726237"	333.7792995	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+H+NH4"	19.041099
"1484430"	117.6067995	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H+NH4"	19.041099
"400922"	455.334218	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+Na"	22.989218
"761919"	671.506718	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+Na"	22.989218
"1611109"	239.161718	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Na"	22.989218
"323334"	228.170747	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+H+Na"	23.996494
"717941"	336.256997	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+H+Na"	23.996494
"1471764"	120.084497	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H+Na"	23.996494
"1065736"	80.39209	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2H+Na"	25.00377
"1265595"	249.205986	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+CH3OH+H"	33.033486
"384171"	471.308158	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+K"	38.963158
"741888"	687.480658	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+K"	38.963158
"1540290"	255.135658	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+K"	38.963158
"303303"	236.157717	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+H+K"	39.970434
"699005"	344.243967	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+H+K"	39.970434
"1448452"	128.071467	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H+K"	39.970434
"241430"	474.378826	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+ACN+H"	42.033826
"1210492"	258.206326	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+ACN+H"	42.033826
"1199118"	129.606801	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+ACN+2H"	43.041102
"194175"	477.31616	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+2Na-H"	44.97116
"635921"	693.48866	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+2Na-H"	44.97116
"1136147"	261.14366	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2Na-H"	44.97116
"176157"	239.161718	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+2Na"	45.978436
"614254"	347.247968	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+2Na"	45.978436
"1120316"	131.075468	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2Na"	45.978436
"1402746"	87.719404	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H+2Na"	46.985712
"1437049"	263.185246	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H+HCOOH"	47.012746
"220909"	244.19474	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+3H2O+2H"	56.04448
"1512621"	277.23729	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+IsoProp+H"	61.06479
"411216"	247.148688	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+Na+K"	61.952376
"770748"	355.234938	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+Na+K"	61.952376
"1674015"	139.062438	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Na+K"	61.952376
"259442"	496.360768	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+ACN+Na"	64.015768
"1235432"	280.188268	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+ACN+Na"	64.015768
"1722132"	280.211793	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+NH4+HCOOH"	64.039293
"1187484"	95.046718	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+3Na"	68.967654
"1656281"	285.167188	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Na+HCOOH"	68.994688
"160959"	509.26404	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+2K-H"	76.91904
"599425"	725.43654	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+2K-H"	76.91904
"1087582"	293.09154	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2K-H"	76.91904
"146222"	255.135658	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"2M+2K"	77.926316
"589063"	363.221908	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"3M+2K"	77.926316
"1076856"	147.049408	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2K"	77.926316
"1110067"	295.106092	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2K+H"	78.933592
"1343171"	295.193707	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+DMSO+H"	79.021207
"1013889"	299.232876	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2ACN+H"	83.060376
"1529827"	300.226508	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+IsoProp+Na+H"	84.054008
"991533"	150.120076	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+2ACN+2H"	84.067652
"1589683"	301.141128	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+K+HCOOH"	84.968628
"1417533"	331.172638	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+H+CF3COOH"	115.000138
"1147821"	170.633351	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+3ACN+2H"	125.094202
"1701746"	348.199185	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+NH4+CF3COOH"	132.026685
"1645053"	353.15458	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+Na+CF3COOH"	136.98208
"1580703"	369.12852	"C08317"	"12-Hydroxydodecanoic acid;omega-Hydroxydodecanoic acid"	"C12H24O3"	"216.1725"	"M+K+CF3COOH"	152.95602
"816051"	296.2351	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M"	0
"985694"	277.21671	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-H2O-H"	-19.01839
"78336"	196.482790666667	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M-3H"	-3.021828
"516786"	295.227824	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M-3H"	-3.021828
"889119"	97.7377573333333	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-3H"	-3.021828
"7696"	295.227824	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M-2H"	-2.014552
"445067"	443.345374	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M-2H"	-2.014552
"825054"	147.110274	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-2H"	-2.014552
"81769"	591.462924	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M-H"	-1.007276
"525704"	887.698024	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M-H"	-1.007276
"902415"	295.227824	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-H"	-1.007276
"53509"	608.489471	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M-2H+NH4"	16.019271
"493069"	904.724571	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M-2H+NH4"	16.019271
"865400"	312.254371	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-2H+NH4"	16.019271
"32089"	613.444866	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M-2H+Na"	20.974666
"473354"	909.679966	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M-2H+Na"	20.974666
"853952"	317.209766	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-2H+Na"	20.974666
"1626767"	317.209766	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Na-2H"	20.974666
"100016"	313.216163	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M-H+Cl"	33.962126
"538484"	461.333713	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M-H+Cl"	33.962126
"929204"	165.098613	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-H+Cl"	33.962126
"270922"	627.439602	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+Cl"	34.969402
"662614"	923.674702	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+Cl"	34.969402
"1275018"	331.204502	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Cl"	34.969402
"19032"	629.418806	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M-2H+K"	36.948606
"458228"	925.653906	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M-2H+K"	36.948606
"834934"	333.183706	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-2H+K"	36.948606
"1562070"	333.183706	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+K-2H"	36.948606
"948861"	341.233294	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-H+HCOOH"	44.998194
"364157"	637.468401	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+HCOOH-H"	44.998201
"353146"	651.484051	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+Hac-H"	59.013851
"1495780"	355.248951	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Hac-H"	59.013851
"964780"	363.215251	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-H+NaCOOH"	66.980151
"116243"	331.204502	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+2Cl"	69.938804
"553981"	479.322052	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+2Cl"	69.938804
"1026059"	183.086952	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2Cl"	69.938804
"1246001"	375.153985	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Br"	78.918885
"1308812"	377.209972	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Cl+HCOOH"	80.974872
"1323030"	399.191929	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Cl+NaCOOH"	102.956829
"913358"	409.220686	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M-H+CF3COOH"	112.985586
"1289708"	445.197364	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Cl+CF3COOH"	148.962264
"1370421"	261.222424	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H-2H2O"	-35.012676
"1388649"	279.2324	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H-H2O"	-17.0027
"297457"	593.477476	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+H"	1.007276
"690243"	889.712576	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+H"	1.007276
"1361490"	297.242376	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H"	1.007276
"138753"	297.242376	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+2H"	2.014552
"575033"	445.359926	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+2H"	2.014552
"1044929"	149.124826	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2H"	2.014552
"209549"	198.497342666667	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+3H"	3.021828
"654577"	297.242376	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+3H"	3.021828
"1168326"	99.7523093333333	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+3H"	3.021828
"429413"	610.504023	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+NH4"	18.033823
"792595"	906.739123	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+NH4"	18.033823
"1690018"	314.268923	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+NH4"	18.033823
"336112"	305.7556495	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+H+NH4"	19.041099
"725253"	453.8731995	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+H+NH4"	19.041099
"1481259"	157.6380995	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H+NH4"	19.041099
"399938"	615.459418	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+Na"	22.989218
"759842"	911.694518	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+Na"	22.989218
"1607939"	319.224318	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Na"	22.989218
"323444"	308.233347	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+H+Na"	23.996494
"715864"	456.350897	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+H+Na"	23.996494
"1470780"	160.115797	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H+Na"	23.996494
"1062930"	107.079623333333	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2H+Na"	25.00377
"1265705"	329.268586	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+CH3OH+H"	33.033486
"383188"	631.433358	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+K"	38.963158
"743090"	927.668458	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+K"	38.963158
"1541133"	335.198258	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+K"	38.963158
"303413"	316.220317	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+H+K"	39.970434
"699115"	464.337867	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+H+K"	39.970434
"1452935"	168.102767	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H+K"	39.970434
"243727"	634.504026	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+ACN+H"	42.033826
"1212064"	338.268926	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+ACN+H"	42.033826
"1197041"	169.638101	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+ACN+2H"	43.041102
"196473"	637.44136	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+2Na-H"	44.97116
"638219"	933.67646	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+2Na-H"	44.97116
"1137350"	341.20626	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2Na-H"	44.97116
"179548"	319.224318	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+2Na"	45.978436
"615824"	467.341868	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+2Na"	45.978436
"1122612"	171.106768	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2Na"	45.978436
"1406137"	114.406937333333	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H+2Na"	46.985712
"1440439"	343.247846	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H+HCOOH"	47.012746
"221509"	324.25734	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+3H2O+2H"	56.04448
"1513824"	357.29989	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+H"	61.06479
"414607"	327.211288	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+Na+K"	61.952376
"779975"	475.328838	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+Na+K"	61.952376
"1675219"	179.093738	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Na+K"	61.952376
"259552"	656.485968	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+ACN+Na"	64.015768
"1226794"	360.250868	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+ACN+Na"	64.015768
"1717868"	360.274393	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+NH4+HCOOH"	64.039293
"1186501"	121.734251333333	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+3Na"	68.967654
"1655298"	365.229788	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Na+HCOOH"	68.994688
"162162"	669.38924	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+2K-H"	76.91904
"600627"	965.62434	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+2K-H"	76.91904
"1088420"	373.15414	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2K-H"	76.91904
"145965"	335.198258	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"2M+2K"	77.926316
"585892"	483.315808	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"3M+2K"	77.926316
"1076966"	187.080708	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2K"	77.926316
"1104711"	375.168692	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2K+H"	78.933592
"1343281"	375.256307	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+DMSO+H"	79.021207
"1010719"	379.295476	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2ACN+H"	83.060376
"1529937"	380.289108	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+Na+H"	84.054008
"992010"	190.151376	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+2ACN+2H"	84.067652
"1589793"	381.203728	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+K+HCOOH"	84.968628
"1417642"	411.235238	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+H+CF3COOH"	115.000138
"1157771"	210.664651	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+3ACN+2H"	125.094202
"1702948"	428.261785	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+NH4+CF3COOH"	132.026685
"1642976"	433.21718	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+Na+CF3COOH"	136.98208
"1580813"	449.19112	"C08318"	"(9Z12Z)-(8R)-Hydroxyoctadeca-912-dienoic acid;Laetisaric acid;8-Hydroxylinoleic acid"	"C18H32O3"	"296.2351"	"M+K+CF3COOH"	152.95602
"811177"	292.2038	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M"	0
"979242"	273.18541	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"78307"	193.795257333333	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"518476"	291.196524	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"895548"	96.3939906666667	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"6714"	291.196524	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"448459"	437.298424	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"828446"	145.094624	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"86255"	583.400324	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"531283"	875.604124	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"905804"	291.196524	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"57989"	600.426871	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"498647"	892.630671	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"865269"	308.223071	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"31956"	605.382266	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"476260"	897.586066	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"858437"	313.178466	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1632348"	313.178466	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"106690"	309.184863	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"546251"	455.286763	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"933202"	163.082963	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"273950"	619.377002	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"669287"	911.580802	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1280961"	327.173202	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"24612"	621.356206	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"460890"	913.560006	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"835776"	329.152406	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1562180"	329.152406	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"948971"	337.201994	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"364629"	629.405801	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"347787"	643.421451	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1503182"	351.217651	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"969631"	359.183951	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"118539"	327.173202	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"560287"	473.275102	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1031272"	181.071302	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1250852"	371.122685	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1313298"	373.178672	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1322413"	395.160629	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"912257"	405.189386	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1293464"	441.166064	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1372719"	257.191124	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1388759"	275.2011	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"297927"	585.414876	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"690355"	877.618676	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1363788"	293.211076	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"136678"	293.211076	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"574051"	439.312976	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1043946"	147.109176	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"207107"	195.809809333333	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"646301"	293.211076	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1165884"	98.4085426666667	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"425026"	602.441423	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"789789"	894.645223	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1686120"	310.237623	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"334400"	301.7243495	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"724632"	447.8262495	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1481005"	155.6224495	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"401144"	607.396818	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"761045"	899.600618	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1609143"	315.193018	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"321369"	304.202047	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"718161"	450.303947	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1473804"	158.100147	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1059760"	105.735856666667	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1263626"	325.237286	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"381112"	623.370758	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"741014"	915.574558	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1540631"	331.166958	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"300243"	312.189017	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"697038"	458.290917	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1453046"	166.087117	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"243837"	626.441426	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1212172"	334.237626	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1201522"	167.622451	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"195490"	629.37876	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"640517"	921.58256	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1141835"	337.17496	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"185126"	315.193018	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"620309"	461.294918	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1124911"	169.091118	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1408434"	113.063170666667	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1440551"	339.216546	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"221255"	320.22604	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1516122"	353.26859	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"416904"	323.179988	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"778992"	469.281888	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1673144"	177.078088	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"257477"	648.423368	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1233466"	356.219568	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1724541"	356.243093	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1187706"	120.390484666667	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1657598"	361.198488	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"166647"	661.32664	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"604020"	953.53044	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1090719"	369.12284	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"148627"	331.166958	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"586002"	477.268858	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1080356"	185.065058	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1113206"	371.137392	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1350076"	371.225007	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1019576"	375.264176	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1530048"	376.257808	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"995402"	188.135726	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1593184"	377.172428	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1417752"	407.203938	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1157881"	208.649001	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1701965"	424.230485	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1643085"	429.18588	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1580923"	445.15982	"C08319"	"alpha-Licanic acid;(9Z11E13E)-4-Oxooctadeca-91113-trienoic acid;4-Oxo-91113-octadecatrienoic acid;4-Oxo-cis-9trans-11trans-13-octadecatrienoic acid"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"811287"	368.3654	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M"	0
"979352"	349.34701	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-H2O-H"	-19.01839
"78344"	244.569657333333	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M-3H"	-3.021828
"516273"	367.358124	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M-3H"	-3.021828
"895637"	121.781190666667	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-3H"	-3.021828
"10104"	367.358124	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M-2H"	-2.014552
"449662"	551.540824	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M-2H"	-2.014552
"828557"	183.175424	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-2H"	-2.014552
"86365"	735.723524	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M-H"	-1.007276
"531393"	1104.088924	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M-H"	-1.007276
"909195"	367.358124	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-H"	-1.007276
"57007"	752.750071	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M-2H+NH4"	16.019271
"500943"	1121.115471	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M-2H+NH4"	16.019271
"865627"	384.384671	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-2H+NH4"	16.019271
"33528"	757.705466	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M-2H+Na"	20.974666
"471996"	1126.070866	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M-2H+Na"	20.974666
"855267"	389.340066	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-2H+Na"	20.974666
"1631364"	389.340066	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Na-2H"	20.974666
"104977"	385.346463	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M-H+Cl"	33.962126
"546725"	569.529163	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M-H+Cl"	33.962126
"932219"	201.163763	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-H+Cl"	33.962126
"277705"	771.700202	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+Cl"	34.969402
"669397"	1140.065602	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+Cl"	34.969402
"1282165"	403.334802	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Cl"	34.969402
"25817"	773.679406	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M-2H+K"	36.948606
"460999"	1142.044806	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M-2H+K"	36.948606
"839530"	405.314006	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-2H+K"	36.948606
"1560466"	405.314006	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+K-2H"	36.948606
"946894"	413.363594	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-H+HCOOH"	44.998194
"362917"	781.729001	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+HCOOH-H"	44.998201
"347530"	795.744651	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+Hac-H"	59.013851
"1501105"	427.379251	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Hac-H"	59.013851
"971565"	435.345551	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-H+NaCOOH"	66.980151
"118649"	403.334802	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+2Cl"	69.938804
"561493"	587.517502	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+2Cl"	69.938804
"1029195"	219.152102	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2Cl"	69.938804
"1249868"	447.284285	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Br"	78.918885
"1311585"	449.340272	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Cl+HCOOH"	80.974872
"1322159"	471.322229	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Cl+NaCOOH"	102.956829
"919780"	481.350986	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M-H+CF3COOH"	112.985586
"1298677"	517.327664	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Cl+CF3COOH"	148.962264
"1376839"	333.352724	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H-2H2O"	-35.012676
"1393243"	351.3627	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H-H2O"	-17.0027
"298363"	737.738076	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+H"	1.007276
"691327"	1106.103476	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+H"	1.007276
"1365964"	369.372676	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H"	1.007276
"141379"	369.372676	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+2H"	2.014552
"581341"	553.555376	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+2H"	2.014552
"1048430"	185.189976	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2H"	2.014552
"211957"	246.584209333333	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+3H"	3.021828
"654797"	369.372676	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+3H"	3.021828
"1169642"	123.795742666667	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+3H"	3.021828
"428542"	754.764623	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+NH4"	18.033823
"791724"	1123.130023	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+NH4"	18.033823
"1691335"	386.399223	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+NH4"	18.033823
"340708"	377.8859495	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+H+NH4"	19.041099
"728754"	562.0686495	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+H+NH4"	19.041099
"1488040"	193.7032495	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H+NH4"	19.041099
"403439"	759.720018	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+Na"	22.989218
"766621"	1128.085418	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+Na"	22.989218
"1614720"	391.354618	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Na"	22.989218
"325850"	380.363647	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+H+Na"	23.996494
"720458"	564.546347	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+H+Na"	23.996494
"1475008"	196.180947	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H+Na"	23.996494
"1060964"	131.123056666667	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2H+Na"	25.00377
"1268110"	401.398886	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+CH3OH+H"	33.033486
"385596"	775.693958	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+K"	38.963158
"742217"	1144.059358	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+K"	38.963158
"1540624"	407.328558	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+K"	38.963158
"300353"	388.350617	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+H+K"	39.970434
"697148"	572.533317	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+H+K"	39.970434
"1454251"	204.167917	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H+K"	39.970434
"247227"	778.764626	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+ACN+H"	42.033826
"1217749"	410.399226	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+ACN+H"	42.033826
"1204184"	205.703251	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+ACN+2H"	43.041102
"202528"	781.70196	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+2Na-H"	44.97116
"640263"	1150.06736	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+2Na-H"	44.97116
"1145955"	413.33656	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2Na-H"	44.97116
"187424"	391.354618	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+2Na"	45.978436
"621516"	575.537318	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+2Na"	45.978436
"1130126"	207.171918	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2Na"	45.978436
"1413288"	138.450370666667	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H+2Na"	46.985712
"1444671"	415.378146	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H+HCOOH"	47.012746
"227075"	396.38764	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+3H2O+2H"	56.04448
"1520971"	429.43019	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+IsoProp+H"	61.06479
"417014"	399.341588	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+Na+K"	61.952376
"779102"	583.524288	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+Na+K"	61.952376
"1676534"	215.158888	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Na+K"	61.952376
"258680"	800.746568	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+ACN+Na"	64.015768
"1236856"	432.381168	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+ACN+Na"	64.015768
"1725742"	432.404693	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+NH4+HCOOH"	64.039293
"1190004"	145.777684666667	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+3Na"	68.967654
"1658802"	437.360088	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Na+HCOOH"	68.994688
"166757"	813.64984	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+2K-H"	76.91904
"605223"	1182.01524	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+2K-H"	76.91904
"1090829"	445.28444	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2K-H"	76.91904
"150924"	407.328558	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"2M+2K"	77.926316
"590485"	591.511258	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"3M+2K"	77.926316
"1080466"	223.145858	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2K"	77.926316
"1113680"	447.298992	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2K+H"	78.933592
"1350550"	447.386607	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+DMSO+H"	79.021207
"1019686"	451.425776	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2ACN+H"	83.060376
"1533438"	452.419408	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+IsoProp+Na+H"	84.054008
"999885"	226.216526	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+2ACN+2H"	84.067652
"1596575"	453.334028	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+K+HCOOH"	84.968628
"1424423"	483.365538	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+H+CF3COOH"	115.000138
"1161272"	246.729801	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+3ACN+2H"	125.094202
"1708636"	500.392085	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+NH4+CF3COOH"	132.026685
"1644290"	505.34748	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+Na+CF3COOH"	136.98208
"1581033"	521.32142	"C08320"	"Tetracosanoic acid;Lignoceric acid"	"C24H48O2"	"368.3654"	"M+K+CF3COOH"	152.95602
"811397"	280.2402	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M"	0
"978369"	261.22181	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-H2O-H"	-19.01839
"78126"	185.819524	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M-3H"	-3.021828
"518212"	279.232924	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M-3H"	-3.021828
"892732"	92.406124	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-3H"	-3.021828
"4747"	279.232924	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M-2H"	-2.014552
"448680"	419.353024	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M-2H"	-2.014552
"822108"	139.112824	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-2H"	-2.014552
"84288"	559.473124	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M-H"	-1.007276
"526036"	839.713324	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M-H"	-1.007276
"906025"	279.232924	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-H"	-1.007276
"54931"	576.499671	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M-2H+NH4"	16.019271
"495587"	856.739871	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M-2H+NH4"	16.019271
"870108"	296.259471	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-2H+NH4"	16.019271
"33639"	581.455066	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M-2H+Na"	20.974666
"473200"	861.695266	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M-2H+Na"	20.974666
"857565"	301.214866	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-2H+Na"	20.974666
"1628191"	301.214866	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Na-2H"	20.974666
"104357"	297.221263	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M-H+Cl"	33.962126
"543189"	437.341363	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M-H+Cl"	33.962126
"935611"	157.101163	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-H+Cl"	33.962126
"272709"	595.449802	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+Cl"	34.969402
"668778"	875.690002	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+Cl"	34.969402
"1280088"	315.209602	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Cl"	34.969402
"25927"	597.429006	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M-2H+K"	36.948606
"461473"	877.669206	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M-2H+K"	36.948606
"841099"	317.188806	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-2H+K"	36.948606
"1560213"	317.188806	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+K-2H"	36.948606
"949193"	325.238394	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-H+HCOOH"	44.998194
"366310"	605.478601	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+HCOOH-H"	44.998201
"346183"	619.494251	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+Hac-H"	59.013851
"1500122"	339.254051	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Hac-H"	59.013851
"971677"	347.220351	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-H+NaCOOH"	66.980151
"120218"	315.209602	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+2Cl"	69.938804
"561603"	455.329702	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+2Cl"	69.938804
"1029306"	175.089502	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2Cl"	69.938804
"1251073"	359.159085	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Br"	78.918885
"1313520"	361.215072	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Cl+HCOOH"	80.974872
"1322633"	383.197029	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Cl+NaCOOH"	102.956829
"916973"	393.225786	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M-H+CF3COOH"	112.985586
"1297694"	429.202464	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Cl+CF3COOH"	148.962264
"1374762"	245.227524	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H-2H2O"	-35.012676
"1388980"	263.2375	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H-H2O"	-17.0027
"295233"	561.487676	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+H"	1.007276
"689848"	841.727876	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+H"	1.007276
"1362915"	281.247476	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H"	1.007276
"136898"	281.247476	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+2H"	2.014552
"579618"	421.367576	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+2H"	2.014552
"1046353"	141.127376	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2H"	2.014552
"208787"	187.834076	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+3H"	3.021828
"647254"	281.247476	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+3H"	3.021828
"1168660"	94.420676	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+3H"	3.021828
"426098"	578.514223	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+NH4"	18.033823
"789280"	858.754423	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+NH4"	18.033823
"1683787"	298.274023	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+NH4"	18.033823
"340818"	289.7607495	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+H+NH4"	19.041099
"725948"	429.8808495	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+H+NH4"	19.041099
"1483778"	149.6406495	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H+NH4"	19.041099
"400271"	583.469618	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+Na"	22.989218
"764543"	863.709818	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+Na"	22.989218
"1612644"	303.229418	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Na"	22.989218
"323774"	292.238447	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+H+Na"	23.996494
"720568"	432.358547	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+H+Na"	23.996494
"1475119"	152.118347	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H+Na"	23.996494
"1065449"	101.74799	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2H+Na"	25.00377
"1268221"	313.273686	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+CH3OH+H"	33.033486
"380239"	599.443558	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+K"	38.963158
"739168"	879.683758	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+K"	38.963158
"1542191"	319.203358	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+K"	38.963158
"302651"	300.225417	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+H+K"	39.970434
"692886"	440.345517	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+H+K"	39.970434
"1453267"	160.105317	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H+K"	39.970434
"247339"	602.514226	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+ACN+H"	42.033826
"1221505"	322.274026	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+ACN+H"	42.033826
"1206481"	161.640651	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+ACN+2H"	43.041102
"200083"	605.45156	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+2Na-H"	44.97116
"640738"	885.69176	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+2Na-H"	44.97116
"1143514"	325.21136	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2Na-H"	44.97116
"183889"	303.229418	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+2Na"	45.978436
"622721"	443.349518	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+2Na"	45.978436
"1127685"	163.109318	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2Na"	45.978436
"1412668"	109.075304	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H+2Na"	46.985712
"1442961"	327.252946	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H+HCOOH"	47.012746
"226095"	308.26244	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+3H2O+2H"	56.04448
"1520717"	341.30499	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+H"	61.06479
"416031"	311.216388	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+Na+K"	61.952376
"782494"	451.336488	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+Na+K"	61.952376
"1675551"	171.096288	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Na+K"	61.952376
"259884"	624.496168	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+ACN+Na"	64.015768
"1236965"	344.255968	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+ACN+Na"	64.015768
"1724759"	344.279493	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+NH4+HCOOH"	64.039293
"1191937"	116.402618	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+3Na"	68.967654
"1661100"	349.234888	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Na+HCOOH"	68.994688
"164681"	637.39944	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+2K-H"	76.91904
"607520"	917.63964	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+2K-H"	76.91904
"1090939"	357.15924	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2K-H"	76.91904
"151035"	319.203358	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"2M+2K"	77.926316
"592783"	459.323458	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"3M+2K"	77.926316
"1080577"	179.083258	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2K"	77.926316
"1112695"	359.173792	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2K+H"	78.933592
"1347986"	359.261407	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+DMSO+H"	79.021207
"1014328"	363.300576	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2ACN+H"	83.060376
"1529174"	364.294208	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+Na+H"	84.054008
"998900"	182.153926	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+2ACN+2H"	84.067652
"1594497"	365.208828	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+K+HCOOH"	84.968628
"1422345"	395.240338	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+H+CF3COOH"	115.000138
"1158101"	202.667201	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+3ACN+2H"	125.094202
"1712024"	412.266885	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+NH4+CF3COOH"	132.026685
"1643305"	417.22228	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+Na+CF3COOH"	136.98208
"1581143"	433.19622	"C08321"	"Malvalic acid"	"C18H32O2"	"280.2402"	"M+K+CF3COOH"	152.95602
"811507"	226.1933	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M"	0
"978479"	207.17491	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-H2O-H"	-19.01839
"78113"	149.788257333333	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M-3H"	-3.021828
"517963"	225.186024	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M-3H"	-3.021828
"894668"	74.3904906666667	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-3H"	-3.021828
"10326"	225.186024	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M-2H"	-2.014552
"452072"	338.282674	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M-2H"	-2.014552
"829511"	112.089374	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-2H"	-2.014552
"88774"	451.379324	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M-H"	-1.007276
"529428"	677.572624	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M-H"	-1.007276
"903950"	225.186024	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-H"	-1.007276
"57230"	468.405871	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M-2H+NH4"	16.019271
"500194"	694.599171	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M-2H+NH4"	16.019271
"870219"	242.212571	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-2H+NH4"	16.019271
"42135"	473.361266	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M-2H+Na"	20.974666
"482061"	699.554566	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M-2H+Na"	20.974666
"862660"	247.167966	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-2H+Na"	20.974666
"1632314"	247.167966	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Na-2H"	20.974666
"108845"	243.174363	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M-H+Cl"	33.962126
"545489"	356.271013	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M-H+Cl"	33.962126
"939005"	130.077713	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-H+Cl"	33.962126
"277561"	487.356002	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+Cl"	34.969402
"667798"	713.549302	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+Cl"	34.969402
"1279835"	261.162702	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Cl"	34.969402
"24945"	489.335206	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M-2H+K"	36.948606
"467419"	715.528506	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M-2H+K"	36.948606
"846316"	263.141906	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-2H+K"	36.948606
"1568346"	263.141906	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+K-2H"	36.948606
"954044"	271.191494	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-H+HCOOH"	44.998194
"371892"	497.384801	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+HCOOH-H"	44.998201
"357965"	511.400451	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+Hac-H"	59.013851
"1501330"	285.207151	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Hac-H"	59.013851
"970329"	293.173451	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-H+NaCOOH"	66.980151
"121425"	261.162702	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+2Cl"	69.938804
"560256"	374.259352	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+2Cl"	69.938804
"1032700"	148.066052	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2Cl"	69.938804
"1254101"	305.112185	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Br"	78.918885
"1315818"	307.168172	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Cl+HCOOH"	80.974872
"1324565"	329.150129	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Cl+NaCOOH"	102.956829
"915624"	339.178886	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M-H+CF3COOH"	112.985586
"1296711"	375.155564	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Cl+CF3COOH"	148.962264
"1380341"	191.180624	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H-2H2O"	-35.012676
"1393461"	209.1906	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H-H2O"	-17.0027
"297776"	453.393876	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+H"	1.007276
"690080"	679.587176	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+H"	1.007276
"1359745"	227.200576	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H"	1.007276
"137009"	227.200576	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+2H"	2.014552
"569281"	340.297226	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+2H"	2.014552
"1045372"	114.103926	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2H"	2.014552
"207804"	151.802809333333	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+3H"	3.021828
"651737"	227.200576	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+3H"	3.021828
"1164760"	76.4050426666667	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+3H"	3.021828
"426207"	470.420423	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+NH4"	18.033823
"789028"	696.613723	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+NH4"	18.033823
"1685358"	244.227123	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+NH4"	18.033823
"339833"	235.7138495	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+H+NH4"	19.041099
"727880"	348.8104995	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+H+NH4"	19.041099
"1483889"	122.6171995	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H+NH4"	19.041099
"402567"	475.375818	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+Na"	22.989218
"762468"	701.569118	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+Na"	22.989218
"1609474"	249.182518	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Na"	22.989218
"320603"	238.191547	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+H+Na"	23.996494
"719586"	351.288197	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+H+Na"	23.996494
"1474499"	125.094897	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H+Na"	23.996494
"1065559"	83.7323566666667	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2H+Na"	25.00377
"1268331"	259.226786	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+CH3OH+H"	33.033486
"379255"	491.349758	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+K"	38.963158
"741345"	717.543058	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+K"	38.963158
"1543397"	265.156458	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+K"	38.963158
"302762"	246.178517	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+H+K"	39.970434
"699558"	359.275167	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+H+K"	39.970434
"1456296"	133.081867	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H+K"	39.970434
"250005"	494.420426	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+ACN+H"	42.033826
"1221981"	268.227126	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+ACN+H"	42.033826
"1206229"	134.617201	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+ACN+2H"	43.041102
"201288"	497.35776	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+2Na-H"	44.97116
"643037"	723.55106	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+2Na-H"	44.97116
"1145084"	271.16446	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2Na-H"	44.97116
"187042"	249.182518	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+2Na"	45.978436
"627574"	362.279168	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+2Na"	45.978436
"1130226"	136.085868	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2Na"	45.978436
"1412050"	91.0596706666667	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H+2Na"	46.985712
"1445345"	273.206046	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H+HCOOH"	47.012746
"233860"	254.21554	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+3H2O+2H"	56.04448
"1521921"	287.25809	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+IsoProp+H"	61.06479
"424044"	257.169488	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+Na+K"	61.952376
"785406"	370.266138	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+Na+K"	61.952376
"1679675"	144.072838	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Na+K"	61.952376
"262181"	516.402368	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+ACN+Na"	64.015768
"1239631"	290.209068	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+ACN+Na"	64.015768
"1725603"	290.232593	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+NH4+HCOOH"	64.039293
"1190592"	98.3869846666667	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+3Na"	68.967654
"1660486"	295.187988	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Na+HCOOH"	68.994688
"169164"	529.30564	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+2K-H"	76.91904
"608727"	755.49894	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+2K-H"	76.91904
"1096883"	303.11234	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2K-H"	76.91904
"154430"	265.156458	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"2M+2K"	77.926316
"592171"	378.253108	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"3M+2K"	77.926316
"1079964"	152.059808	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2K"	77.926316
"1109165"	305.126892	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2K+H"	78.933592
"1346281"	305.214507	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+DMSO+H"	79.021207
"1017721"	309.253676	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2ACN+H"	83.060376
"1535846"	310.247308	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+IsoProp+Na+H"	84.054008
"1002294"	155.130476	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+2ACN+2H"	84.067652
"1597893"	311.161928	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+K+HCOOH"	84.968628
"1427560"	341.193438	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+H+CF3COOH"	115.000138
"1161131"	175.643751	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+3ACN+2H"	125.094202
"1710682"	358.219985	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+NH4+CF3COOH"	132.026685
"1646696"	363.17538	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+Na+CF3COOH"	136.98208
"1581253"	379.14932	"C08322"	"Myristoleic acid;(9Z)-Tetradecenoic acid;9-Tetradecenoic acid;(Z)-Tetradec-9-enoic acid"	"C14H26O2"	"226.1933"	"M+K+CF3COOH"	152.95602
"811617"	366.3498	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M"	0
"979682"	347.33141	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-H2O-H"	-19.01839
"78501"	243.225924	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M-3H"	-3.021828
"518517"	365.342524	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M-3H"	-3.021828
"895530"	121.109324	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-3H"	-3.021828
"14446"	365.342524	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M-2H"	-2.014552
"454005"	548.517424	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M-2H"	-2.014552
"830715"	182.167624	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-2H"	-2.014552
"91799"	731.692324	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M-H"	-1.007276
"530633"	1098.042124	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M-H"	-1.007276
"905154"	365.342524	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-H"	-1.007276
"58433"	748.718871	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M-2H+NH4"	16.019271
"500182"	1115.068671	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M-2H+NH4"	16.019271
"873609"	382.369071	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-2H+NH4"	16.019271
"42609"	753.674266	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M-2H+Na"	20.974666
"485861"	1120.024066	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M-2H+Na"	20.974666
"863542"	387.324466	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-2H+Na"	20.974666
"1633602"	387.324466	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Na-2H"	20.974666
"108955"	383.330863	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M-H+Cl"	33.962126
"548395"	566.505763	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M-H+Cl"	33.962126
"940817"	200.155963	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-H+Cl"	33.962126
"281196"	767.669002	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+Cl"	34.969402
"671188"	1134.018802	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+Cl"	34.969402
"1285777"	401.319202	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Cl"	34.969402
"28335"	769.648206	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M-2H+K"	36.948606
"469352"	1135.998006	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M-2H+K"	36.948606
"848007"	403.298406	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-2H+K"	36.948606
"1569913"	403.298406	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+K-2H"	36.948606
"956707"	411.347994	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-H+HCOOH"	44.998194
"367628"	777.697801	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+HCOOH-H"	44.998201
"356978"	791.713451	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+Hac-H"	59.013851
"1501438"	425.363651	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Hac-H"	59.013851
"970439"	433.329951	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-H+NaCOOH"	66.980151
"123723"	401.319202	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+2Cl"	69.938804
"561826"	584.494102	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+2Cl"	69.938804
"1034632"	218.144302	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2Cl"	69.938804
"1253482"	445.268685	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Br"	78.918885
"1317022"	447.324672	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Cl+HCOOH"	80.974872
"1324676"	469.306629	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Cl+NaCOOH"	102.956829
"915735"	479.335386	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M-H+CF3COOH"	112.985586
"1300102"	515.312064	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Cl+CF3COOH"	148.962264
"1382033"	331.337124	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H-2H2O"	-35.012676
"1394300"	349.3471	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H-H2O"	-17.0027
"297640"	733.706876	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+H"	1.007276
"689827"	1100.056676	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+H"	1.007276
"1356576"	367.357076	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H"	1.007276
"132747"	367.357076	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+2H"	2.014552
"567202"	550.531976	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+2H"	2.014552
"1041109"	184.182176	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2H"	2.014552
"210101"	245.240476	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+3H"	3.021828
"647474"	367.357076	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+3H"	3.021828
"1164381"	123.123876	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+3H"	3.021828
"425708"	750.733423	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+NH4"	18.033823
"788406"	1117.083223	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+NH4"	18.033823
"1684373"	384.383623	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+NH4"	18.033823
"336662"	375.8703495	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+H+NH4"	19.041099
"727263"	559.0452495	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+H+NH4"	19.041099
"1481812"	192.6954495	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H+NH4"	19.041099
"398304"	755.688818	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+Na"	22.989218
"762577"	1122.038618	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+Na"	22.989218
"1609584"	389.339018	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Na"	22.989218
"321808"	378.348047	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+H+Na"	23.996494
"716415"	561.522947	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+H+Na"	23.996494
"1474248"	195.173147	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H+Na"	23.996494
"1064575"	130.45119	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2H+Na"	25.00377
"1269535"	399.383286	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+CH3OH+H"	33.033486
"378880"	771.662758	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+K"	38.963158
"740362"	1138.012558	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+K"	38.963158
"1545694"	405.312958	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+K"	38.963158
"309435"	386.335017	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+H+K"	39.970434
"702950"	569.509917	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+H+K"	39.970434
"1456770"	203.160117	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H+K"	39.970434
"249021"	774.733426	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+ACN+H"	42.033826
"1222454"	408.383626	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+ACN+H"	42.033826
"1209302"	204.695451	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+ACN+2H"	43.041102
"202490"	777.67076	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+2Na-H"	44.97116
"643150"	1144.02056	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+2Na-H"	44.97116
"1146492"	411.32096	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2Na-H"	44.97116
"187882"	389.339018	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+2Na"	45.978436
"628351"	572.513918	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+2Na"	45.978436
"1130217"	206.164118	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2Na"	45.978436
"1413498"	137.778504	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H+2Na"	46.985712
"1445253"	413.362546	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H+HCOOH"	47.012746
"232877"	394.37204	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+3H2O+2H"	56.04448
"1522397"	427.41459	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+IsoProp+H"	61.06479
"423910"	397.325988	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+Na+K"	61.952376
"785555"	580.500888	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+Na+K"	61.952376
"1680153"	214.151088	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Na+K"	61.952376
"264114"	796.715368	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+ACN+Na"	64.015768
"1239015"	430.365568	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+ACN+Na"	64.015768
"1725716"	430.389093	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+NH4+HCOOH"	64.039293
"1192160"	145.105818	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+3Na"	68.967654
"1660229"	435.344488	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Na+HCOOH"	68.994688
"170007"	809.61864	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+2K-H"	76.91904
"609570"	1175.96844	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+2K-H"	76.91904
"1096629"	443.26884	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2K-H"	76.91904
"154177"	405.312958	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"2M+2K"	77.926316
"592282"	588.487858	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"3M+2K"	77.926316
"1080802"	222.138058	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2K"	77.926316
"1109639"	445.283392	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2K+H"	78.933592
"1347119"	445.371007	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+DMSO+H"	79.021207
"1018923"	449.410176	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2ACN+H"	83.060376
"1534862"	450.403808	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+IsoProp+Na+H"	84.054008
"1001309"	225.208726	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+2ACN+2H"	84.067652
"1601281"	451.318428	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+K+HCOOH"	84.968628
"1427670"	481.349938	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+H+CF3COOH"	115.000138
"1162644"	245.722001	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+3ACN+2H"	125.094202
"1711153"	498.376485	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+NH4+CF3COOH"	132.026685
"1646806"	503.33188	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+Na+CF3COOH"	136.98208
"1584643"	519.30582	"C08323"	"(15Z)-Tetracosenoic acid;Nervonic acid;(Z)-15-Tetracosenoic acid"	"C24H46O2"	"366.3498"	"M+K+CF3COOH"	152.95602
"811727"	360.1169	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M"	0
"979792"	341.09851	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-H2O-H"	-19.01839
"78215"	239.070657333333	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M-3H"	-3.021828
"518057"	359.109624	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M-3H"	-3.021828
"895048"	119.031690666667	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-3H"	-3.021828
"15572"	359.109624	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M-2H"	-2.014552
"451201"	539.168074	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M-2H"	-2.014552
"829003"	179.051174	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-2H"	-2.014552
"90818"	719.226524	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M-H"	-1.007276
"530742"	1079.343424	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M-H"	-1.007276
"908543"	359.109624	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-H"	-1.007276
"56355"	736.253071	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M-2H+NH4"	16.019271
"494821"	1096.369971	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M-2H+NH4"	16.019271
"870436"	376.136171	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-2H+NH4"	16.019271
"41619"	741.208466	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M-2H+Na"	20.974666
"487032"	1101.325366	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M-2H+Na"	20.974666
"860085"	381.091566	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-2H+Na"	20.974666
"1633714"	381.091566	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Na-2H"	20.974666
"107244"	377.097963	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M-H+Cl"	33.962126
"546803"	557.156413	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M-H+Cl"	33.962126
"941047"	197.039513	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-H+Cl"	33.962126
"279969"	755.203202	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+Cl"	34.969402
"672757"	1115.320102	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+Cl"	34.969402
"1284794"	395.086302	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Cl"	34.969402
"25163"	757.182406	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M-2H+K"	36.948606
"466908"	1117.299306	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M-2H+K"	36.948606
"846901"	397.065506	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-2H+K"	36.948606
"1570999"	397.065506	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+K-2H"	36.948606
"951709"	405.115094	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-H+HCOOH"	44.998194
"372111"	765.232001	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+HCOOH-H"	44.998201
"356723"	779.247651	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+Hac-H"	59.013851
"1503008"	419.130751	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Hac-H"	59.013851
"971644"	427.097051	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-H+NaCOOH"	66.980151
"125048"	395.086302	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+2Cl"	69.938804
"563392"	575.144752	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+2Cl"	69.938804
"1029639"	215.027852	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2Cl"	69.938804
"1251403"	439.035785	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Br"	78.918885
"1312759"	441.091772	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Cl+HCOOH"	80.974872
"1322601"	463.073729	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Cl+NaCOOH"	102.956829
"916943"	473.102486	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M-H+CF3COOH"	112.985586
"1300943"	509.079164	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Cl+CF3COOH"	148.962264
"1380562"	325.104224	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H-2H2O"	-35.012676
"1398064"	343.1142	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H-H2O"	-17.0027
"297874"	721.241076	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+H"	1.007276
"690424"	1081.357976	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+H"	1.007276
"1358874"	361.124176	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H"	1.007276
"140148"	361.124176	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+2H"	2.014552
"572419"	541.182626	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+2H"	2.014552
"1043767"	181.065726	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2H"	2.014552
"210210"	241.085209333333	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+3H"	3.021828
"649039"	361.124176	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+3H"	3.021828
"1168261"	121.046242666667	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+3H"	3.021828
"431169"	738.267623	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+NH4"	18.033823
"791068"	1098.384523	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+NH4"	18.033823
"1684483"	378.150723	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+NH4"	18.033823
"334585"	369.6374495	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+H+NH4"	19.041099
"726279"	549.6958995	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+H+NH4"	19.041099
"1480827"	189.5789995	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H+NH4"	19.041099
"396228"	743.223018	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+Na"	22.989218
"759411"	1103.339918	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+Na"	22.989218
"1608601"	383.106118	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Na"	22.989218
"324106"	372.115147	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+H+Na"	23.996494
"718715"	552.173597	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+H+Na"	23.996494
"1471441"	192.056697	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H+Na"	23.996494
"1065779"	128.373556666667	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2H+Na"	25.00377
"1270375"	393.150386	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+CH3OH+H"	33.033486
"386039"	759.196958	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+K"	38.963158
"747035"	1119.313858	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+K"	38.963158
"1549086"	399.080058	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+K"	38.963158
"312099"	380.102117	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+H+K"	39.970434
"705979"	560.160567	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+H+K"	39.970434
"1456883"	200.043667	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H+K"	39.970434
"248401"	762.267626	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+ACN+H"	42.033826
"1224513"	402.150726	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+ACN+H"	42.033826
"1207543"	201.579001	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+ACN+2H"	43.041102
"203821"	765.20496	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+2Na-H"	44.97116
"643626"	1125.32186	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+2Na-H"	44.97116
"1146488"	405.08806	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2Na-H"	44.97116
"188429"	383.106118	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+2Na"	45.978436
"628122"	563.164568	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+2Na"	45.978436
"1131251"	203.047668	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2Na"	45.978436
"1413414"	135.700870666667	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H+2Na"	46.985712
"1445447"	407.129646	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H+HCOOH"	47.012746
"235379"	388.13914	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+3H2O+2H"	56.04448
"1522509"	421.18169	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+IsoProp+H"	61.06479
"423293"	391.093088	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+Na+K"	61.952376
"783917"	571.151538	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+Na+K"	61.952376
"1679899"	211.034638	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Na+K"	61.952376
"266867"	784.249568	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+ACN+Na"	64.015768
"1240667"	424.132668	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+ACN+Na"	64.015768
"1728056"	424.156193	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+NH4+HCOOH"	64.039293
"1191544"	143.028184666667	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+3Na"	68.967654
"1662526"	429.111588	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Na+HCOOH"	68.994688
"168298"	797.15284	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+2K-H"	76.91904
"608221"	1157.26974	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+2K-H"	76.91904
"1096745"	437.03594	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2K-H"	76.91904
"153196"	399.080058	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"2M+2K"	77.926316
"593488"	579.138508	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"3M+2K"	77.926316
"1080914"	219.021608	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2K"	77.926316
"1111936"	439.050492	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2K+H"	78.933592
"1346864"	439.138107	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+DMSO+H"	79.021207
"1017581"	443.177276	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2ACN+H"	83.060376
"1537528"	444.170908	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+IsoProp+Na+H"	84.054008
"1003243"	222.092276	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+2ACN+2H"	84.067652
"1601637"	445.085528	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+K+HCOOH"	84.968628
"1429732"	475.117038	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+H+CF3COOH"	115.000138
"1162645"	242.605551	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+3ACN+2H"	125.094202
"1712316"	492.143585	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+NH4+CF3COOH"	132.026685
"1648739"	497.09898	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+Na+CF3COOH"	136.98208
"1584753"	513.07292	"C08324"	"Acalyphin"	"C14H20N2O9"	"360.1169"	"M+K+CF3COOH"	152.95602
"811837"	457.1584	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M"	0
"978809"	438.14001	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-H2O-H"	-19.01839
"68146"	303.764990666667	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M-3H"	-3.021828
"504424"	456.151124	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M-3H"	-3.021828
"889886"	151.378857333333	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-3H"	-3.021828
"13568"	456.151124	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M-2H"	-2.014552
"450218"	684.730324	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M-2H"	-2.014552
"829113"	227.571924	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-2H"	-2.014552
"90928"	913.309524	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M-H"	-1.007276
"532311"	1370.467924	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M-H"	-1.007276
"906102"	456.151124	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-H"	-1.007276
"57195"	930.336071	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M-2H+NH4"	16.019271
"494932"	1387.494471	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M-2H+NH4"	16.019271
"871640"	473.177671	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-2H+NH4"	16.019271
"35168"	935.291466	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M-2H+Na"	20.974666
"487020"	1392.449866	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M-2H+Na"	20.974666
"864185"	478.133066	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-2H+Na"	20.974666
"1634068"	478.133066	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Na-2H"	20.974666
"107354"	474.139463	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M-H+Cl"	33.962126
"548007"	702.718663	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M-H+Cl"	33.962126
"939700"	245.560263	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-H+Cl"	33.962126
"280445"	949.286202	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+Cl"	34.969402
"673231"	1406.444602	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+Cl"	34.969402
"1286728"	492.127802	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Cl"	34.969402
"27461"	951.265406	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M-2H+K"	36.948606
"468478"	1408.423806	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M-2H+K"	36.948606
"847375"	494.107006	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-2H+K"	36.948606
"1571096"	494.107006	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+K-2H"	36.948606
"955100"	502.156594	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-H+HCOOH"	44.998194
"371127"	959.315001	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+HCOOH-H"	44.998201
"359388"	973.330651	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+Hac-H"	59.013851
"1505306"	516.172251	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Hac-H"	59.013851
"973698"	524.138551	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-H+NaCOOH"	66.980151
"124186"	492.127802	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+2Cl"	69.938804
"563137"	720.707002	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+2Cl"	69.938804
"1029748"	263.548602	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2Cl"	69.938804
"1254065"	536.077285	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Br"	78.918885
"1316146"	538.133272	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Cl+HCOOH"	80.974872
"1330364"	560.115229	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Cl+NaCOOH"	102.956829
"922516"	570.143986	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M-H+CF3COOH"	112.985586
"1293758"	606.120664	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Cl+CF3COOH"	148.962264
"1380672"	422.145724	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H-2H2O"	-35.012676
"1398139"	440.1557	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H-H2O"	-17.0027
"298105"	915.324076	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+H"	1.007276
"691136"	1372.482476	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+H"	1.007276
"1363358"	458.165676	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H"	1.007276
"138073"	458.165676	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+2H"	2.014552
"574716"	686.744876	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+2H"	2.014552
"1046794"	229.586476	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2H"	2.014552
"207407"	305.779542666667	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+3H"	3.021828
"650975"	458.165676	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+3H"	3.021828
"1166548"	153.393409333333	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+3H"	3.021828
"428362"	932.350623	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+NH4"	18.033823
"790084"	1389.509023	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+NH4"	18.033823
"1686054"	475.192223	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+NH4"	18.033823
"333236"	466.6789495	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+H+NH4"	19.041099
"726022"	695.2581495	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+H+NH4"	19.041099
"1482028"	238.0997495	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H+NH4"	19.041099
"397431"	937.306018	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+Na"	22.989218
"762801"	1394.464418	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+Na"	22.989218
"1606527"	480.147618	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Na"	22.989218
"323120"	469.156647	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+H+Na"	23.996494
"719916"	697.735847	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+H+Na"	23.996494
"1472644"	240.577447	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H+Na"	23.996494
"1064796"	160.720723333333	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2H+Na"	25.00377
"1270485"	490.191886	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+CH3OH+H"	33.033486
"387242"	953.279958	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+K"	38.963158
"749334"	1410.438358	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+K"	38.963158
"1553940"	496.121558	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+K"	38.963158
"313912"	477.143617	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+H+K"	39.970434
"706941"	705.722817	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+H+K"	39.970434
"1459546"	248.564417	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H+K"	39.970434
"250337"	956.350626	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+ACN+H"	42.033826
"1224259"	499.192226	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+ACN+H"	42.033826
"1208747"	250.099751	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+ACN+2H"	43.041102
"203566"	959.28796	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+2Na-H"	44.97116
"644145"	1416.44636	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+2Na-H"	44.97116
"1146518"	502.12956	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2Na-H"	44.97116
"188432"	480.147618	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+2Na"	45.978436
"628317"	708.726818	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+2Na"	45.978436
"1131048"	251.568418	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2Na"	45.978436
"1413930"	168.048037333333	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H+2Na"	46.985712
"1445397"	504.171146	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H+HCOOH"	47.012746
"234192"	485.18064	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+3H2O+2H"	56.04448
"1522254"	518.22319	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+IsoProp+H"	61.06479
"423036"	488.134588	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+Na+K"	61.952376
"782934"	716.713788	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+Na+K"	61.952376
"1681141"	259.555388	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Na+K"	61.952376
"266533"	978.332568	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+ACN+Na"	64.015768
"1240821"	521.174168	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+ACN+Na"	64.015768
"1728354"	521.197693	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+NH4+HCOOH"	64.039293
"1193478"	175.375351333333	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+3Na"	68.967654
"1661909"	526.153088	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Na+HCOOH"	68.994688
"166950"	991.23584	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+2K-H"	76.91904
"608695"	1448.39424	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+2K-H"	76.91904
"1094668"	534.07744	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2K-H"	76.91904
"150391"	496.121558	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"2M+2K"	77.926316
"591045"	724.700758	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"3M+2K"	77.926316
"1082483"	267.542358	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2K"	77.926316
"1111682"	536.091992	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2K+H"	78.933592
"1350255"	536.179607	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+DMSO+H"	79.021207
"1019879"	540.218776	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2ACN+H"	83.060376
"1539747"	541.212408	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+IsoProp+Na+H"	84.054008
"1002992"	270.613026	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+2ACN+2H"	84.067652
"1600411"	542.127028	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+K+HCOOH"	84.968628
"1429798"	572.158538	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+H+CF3COOH"	115.000138
"1162634"	291.126301	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+3ACN+2H"	125.094202
"1712386"	589.185085	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+NH4+CF3COOH"	132.026685
"1648120"	594.14048	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+Na+CF3COOH"	136.98208
"1584863"	610.11442	"C08325"	"Amygdalin;(R)-Amygdalin;(R)-Amygdaloside;(R)-Laenitrile"	"C20H27NO11"	"457.1584"	"M+K+CF3COOH"	152.95602
"811947"	867.2797	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M"	0
"985480"	848.26131	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-H2O-H"	-19.01839
"75911"	577.179190666667	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M-3H"	-3.021828
"505629"	866.272424	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M-3H"	-3.021828
"888902"	288.085957333333	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-3H"	-3.021828
"14411"	866.272424	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M-2H"	-2.014552
"453853"	1299.912274	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M-2H"	-2.014552
"831413"	432.632574	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-2H"	-2.014552
"91404"	1733.552124	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M-H"	-1.007276
"532668"	2600.831824	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M-H"	-1.007276
"909375"	866.272424	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-H"	-1.007276
"59493"	1750.578671	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M-2H+NH4"	16.019271
"500395"	2617.858371	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M-2H+NH4"	16.019271
"877220"	883.298971	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-2H+NH4"	16.019271
"39651"	1755.534066	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M-2H+Na"	20.974666
"485905"	2622.813766	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M-2H+Na"	20.974666
"863953"	888.254366	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-2H+Na"	20.974666
"1631907"	888.254366	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Na-2H"	20.974666
"106371"	884.260763	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M-H+Cl"	33.962126
"544837"	1317.900613	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M-H+Cl"	33.962126
"932884"	450.620913	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-H+Cl"	33.962126
"275812"	1769.528802	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+Cl"	34.969402
"664954"	2636.808502	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+Cl"	34.969402
"1278450"	902.249102	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Cl"	34.969402
"19913"	1771.508006	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M-2H+K"	36.948606
"464941"	2638.787706	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M-2H+K"	36.948606
"842742"	904.228306	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-2H+K"	36.948606
"1567324"	904.228306	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+K-2H"	36.948606
"951925"	912.277894	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-H+HCOOH"	44.998194
"369046"	1779.557601	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+HCOOH-H"	44.998201
"355118"	1793.573251	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+Hac-H"	59.013851
"1501766"	926.293551	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Hac-H"	59.013851
"967120"	934.259851	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-H+NaCOOH"	66.980151
"121499"	902.249102	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+2Cl"	69.938804
"561059"	1335.888952	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+2Cl"	69.938804
"1033137"	468.609252	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2Cl"	69.938804
"1253082"	946.198585	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Br"	78.918885
"1315165"	948.254572	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Cl+HCOOH"	80.974872
"1323912"	970.236529	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Cl+NaCOOH"	102.956829
"922625"	980.265286	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M-H+CF3COOH"	112.985586
"1293865"	1016.241964	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Cl+CF3COOH"	148.962264
"1379324"	832.267024	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H-2H2O"	-35.012676
"1396819"	850.277	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H-H2O"	-17.0027
"297601"	1735.566676	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+H"	1.007276
"689291"	2602.846376	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+H"	1.007276
"1360187"	868.286976	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H"	1.007276
"137451"	868.286976	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+2H"	2.014552
"572638"	1301.926826	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+2H"	2.014552
"1047998"	434.647126	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2H"	2.014552
"206425"	579.193742666667	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+3H"	3.021828
"652178"	868.286976	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+3H"	3.021828
"1166296"	290.100509333333	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+3H"	3.021828
"431389"	1752.593223	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+NH4"	18.033823
"789464"	2619.872923	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+NH4"	18.033823
"1689806"	885.313523	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+NH4"	18.033823
"334440"	876.8002495	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+H+NH4"	19.041099
"727228"	1310.4400995	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+H+NH4"	19.041099
"1483236"	443.1603995	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H+NH4"	19.041099
"399728"	1757.548618	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+Na"	22.989218
"762910"	2624.828318	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+Na"	22.989218
"1611008"	890.268918	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Na"	22.989218
"325417"	879.277947	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+H+Na"	23.996494
"717839"	1312.917797	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+H+Na"	23.996494
"1474820"	445.638097	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H+Na"	23.996494
"1066730"	297.427823333333	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2H+Na"	25.00377
"1271813"	900.313186	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+CH3OH+H"	33.033486
"387353"	1773.522558	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+K"	38.963158
"741790"	2640.802258	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+K"	38.963158
"1544938"	906.242858	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+K"	38.963158
"307581"	887.264917	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+H+K"	39.970434
"701096"	1320.904767	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+H+K"	39.970434
"1456009"	453.625067	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H+K"	39.970434
"248621"	1776.593226	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+ACN+H"	42.033826
"1223641"	909.313526	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+ACN+H"	42.033826
"1206305"	455.160401	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+ACN+2H"	43.041102
"204126"	1779.53056	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+2Na-H"	44.97116
"644052"	2646.81026	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+2Na-H"	44.97116
"1146503"	912.25086	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2Na-H"	44.97116
"188218"	890.268918	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+2Na"	45.978436
"627900"	1323.908768	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+2Na"	45.978436
"1130670"	456.629068	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2Na"	45.978436
"1411755"	304.755137333333	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H+2Na"	46.985712
"1443509"	914.292446	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H+HCOOH"	47.012746
"234549"	895.30194	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+3H2O+2H"	56.04448
"1523581"	928.34449	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+IsoProp+H"	61.06479
"423395"	898.255888	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+Na+K"	61.952376
"784019"	1331.895738	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+Na+K"	61.952376
"1679639"	464.616038	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Na+K"	61.952376
"266153"	1798.575168	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+ACN+Na"	64.015768
"1241096"	931.295468	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+ACN+Na"	64.015768
"1727873"	931.318993	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+NH4+HCOOH"	64.039293
"1192860"	312.082451333333	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+3Na"	68.967654
"1662750"	936.274388	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Na+HCOOH"	68.994688
"166696"	1811.47844	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+2K-H"	76.91904
"606985"	2678.75814	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+2K-H"	76.91904
"1090405"	944.19874	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2K-H"	76.91904
"147221"	906.242858	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"2M+2K"	77.926316
"592979"	1339.882708	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"3M+2K"	77.926316
"1076763"	472.603008	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2K"	77.926316
"1112886"	946.213292	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2K+H"	78.933592
"1350001"	946.300907	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+DMSO+H"	79.021207
"1018896"	950.340076	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2ACN+H"	83.060376
"1537386"	951.333708	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+IsoProp+Na+H"	84.054008
"1003836"	475.673676	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+2ACN+2H"	84.067652
"1601617"	952.248328	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+K+HCOOH"	84.968628
"1426182"	982.279838	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+H+CF3COOH"	115.000138
"1160846"	496.186951	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+3ACN+2H"	125.094202
"1712096"	999.306385	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+NH4+CF3COOH"	132.026685
"1648959"	1004.26178	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+Na+CF3COOH"	136.98208
"1584973"	1020.23572	"C08326"	"Anthemis glycoside A"	"C39H49NO21"	"867.2797"	"M+K+CF3COOH"	152.95602
"812057"	735.2374	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M"	0
"980122"	716.21901	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-H2O-H"	-19.01839
"71646"	489.150990666667	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M-3H"	-3.021828
"503549"	734.230124	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M-3H"	-3.021828
"892292"	244.071857333333	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-3H"	-3.021828
"15493"	734.230124	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M-2H"	-2.014552
"455064"	1101.848824	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M-2H"	-2.014552
"832254"	366.611424	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-2H"	-2.014552
"93583"	1469.467524	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M-H"	-1.007276
"532530"	2204.704924	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M-H"	-1.007276
"908509"	734.230124	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-H"	-1.007276
"59967"	1486.494071	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M-2H+NH4"	16.019271
"501352"	2221.731471	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M-2H+NH4"	16.019271
"876966"	751.256671	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-2H+NH4"	16.019271
"43772"	1491.449466	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M-2H+Na"	20.974666
"485526"	2226.686866	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M-2H+Na"	20.974666
"862966"	756.212066	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-2H+Na"	20.974666
"1631042"	756.212066	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Na-2H"	20.974666
"106481"	752.218463	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M-H+Cl"	33.962126
"543854"	1119.837163	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M-H+Cl"	33.962126
"932994"	384.599763	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-H+Cl"	33.962126
"272642"	1505.444202	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+Cl"	34.969402
"667250"	2240.681602	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+Cl"	34.969402
"1279655"	770.206802	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Cl"	34.969402
"25493"	1507.423406	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M-2H+K"	36.948606
"461772"	2242.660806	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M-2H+K"	36.948606
"842855"	772.186006	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-2H+K"	36.948606
"1564154"	772.186006	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+K-2H"	36.948606
"952036"	780.235594	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-H+HCOOH"	44.998194
"365876"	1515.473001	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+HCOOH-H"	44.998201
"350855"	1529.488651	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+Hac-H"	59.013851
"1502970"	794.251251	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Hac-H"	59.013851
"968324"	802.217551	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-H+NaCOOH"	66.980151
"123797"	770.206802	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+2Cl"	69.938804
"561533"	1137.825502	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+2Cl"	69.938804
"1034708"	402.588102	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2Cl"	69.938804
"1255014"	814.156285	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Br"	78.918885
"1316369"	816.212272	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Cl+HCOOH"	80.974872
"1327302"	838.194229	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Cl+NaCOOH"	102.956829
"922735"	848.222986	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M-H+CF3COOH"	112.985586
"1293975"	884.199664	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Cl+CF3COOH"	148.962264
"1378706"	700.224724	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H-2H2O"	-35.012676
"1397658"	718.2347	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H-H2O"	-17.0027
"298075"	1471.482076	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+H"	1.007276
"689037"	2206.719476	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+H"	1.007276
"1364673"	736.244676	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H"	1.007276
"139022"	736.244676	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+2H"	2.014552
"580888"	1103.863376	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+2H"	2.014552
"1049201"	368.625976	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2H"	2.014552
"205923"	491.165542666667	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+3H"	3.021828
"653380"	736.244676	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+3H"	3.021828
"1169321"	246.086409333333	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+3H"	3.021828
"433686"	1488.508623	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+NH4"	18.033823
"792126"	2223.746023	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+NH4"	18.033823
"1687003"	753.271223	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+NH4"	18.033823
"334917"	744.7579495	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+H+NH4"	19.041099
"728794"	1112.3766495	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+H+NH4"	19.041099
"1485531"	377.1392495	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H+NH4"	19.041099
"402024"	1493.464018	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+Na"	22.989218
"761926"	2228.701418	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+Na"	22.989218
"1611118"	758.226618	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Na"	22.989218
"324433"	747.235647	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+H+Na"	23.996494
"716856"	1114.854347	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+H+Na"	23.996494
"1473957"	379.616947	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H+Na"	23.996494
"1067082"	253.413723333333	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2H+Na"	25.00377
"1272167"	768.270886	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+CH3OH+H"	33.033486
"388555"	1509.437958	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+K"	38.963158
"740078"	2244.675358	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+K"	38.963158
"1545047"	774.200558	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+K"	38.963158
"304409"	755.222617	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+H+K"	39.970434
"694644"	1122.841317	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+H+K"	39.970434
"1455025"	387.603917	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H+K"	39.970434
"248367"	1512.508626	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+ACN+H"	42.033826
"1223993"	777.271226	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+ACN+H"	42.033826
"1208362"	389.139251	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+ACN+2H"	43.041102
"203065"	1515.44596	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+2Na-H"	44.97116
"643839"	2250.68336	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+2Na-H"	44.97116
"1146372"	780.20856	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2Na-H"	44.97116
"188206"	758.226618	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+2Na"	45.978436
"627765"	1125.845318	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+2Na"	45.978436
"1130297"	390.607918	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2Na"	45.978436
"1410773"	260.741037333333	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H+2Na"	46.985712
"1440335"	782.250146	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H+HCOOH"	47.012746
"235513"	763.25964	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+3H2O+2H"	56.04448
"1524041"	796.30219	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+IsoProp+H"	61.06479
"424195"	766.213588	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+Na+K"	61.952376
"784621"	1133.832288	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+Na+K"	61.952376
"1679868"	398.594888	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Na+K"	61.952376
"265656"	1534.490568	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+ACN+Na"	64.015768
"1240799"	799.253168	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+ACN+Na"	64.015768
"1727739"	799.276693	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+NH4+HCOOH"	64.039293
"1192121"	268.068351333333	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+3Na"	68.967654
"1662494"	804.232088	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Na+HCOOH"	68.994688
"167169"	1547.39384	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+2K-H"	76.91904
"606732"	2282.63124	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+2K-H"	76.91904
"1090515"	812.15644	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2K-H"	76.91904
"149518"	774.200558	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"2M+2K"	77.926316
"591266"	1141.819258	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"3M+2K"	77.926316
"1080880"	406.581858	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2K"	77.926316
"1111904"	814.170992	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2K+H"	78.933592
"1349748"	814.258607	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+DMSO+H"	79.021207
"1017184"	818.297776	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2ACN+H"	83.060376
"1536403"	819.291408	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+IsoProp+Na+H"	84.054008
"1001759"	409.652526	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+2ACN+2H"	84.067652
"1599540"	820.206028	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+K+HCOOH"	84.968628
"1428479"	850.237538	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+H+CF3COOH"	115.000138
"1162658"	430.165801	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+3ACN+2H"	125.094202
"1712206"	867.264085	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+NH4+CF3COOH"	132.026685
"1648705"	872.21948	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+Na+CF3COOH"	136.98208
"1585083"	888.19342	"C08327"	"Anthemis glycoside B"	"C34H41NO17"	"735.2374"	"M+K+CF3COOH"	152.95602
"812167"	275.1005	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M"	0
"980232"	256.08211	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-H2O-H"	-19.01839
"71756"	182.393057333333	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M-3H"	-3.021828
"506939"	274.093224	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M-3H"	-3.021828
"890215"	90.6928906666667	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-3H"	-3.021828
"13780"	274.093224	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M-2H"	-2.014552
"455499"	411.643474	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M-2H"	-2.014552
"831268"	136.542974	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-2H"	-2.014552
"94223"	549.193724	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M-H"	-1.007276
"532399"	824.294224	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M-H"	-1.007276
"909350"	274.093224	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-H"	-1.007276
"59349"	566.220271	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M-2H+NH4"	16.019271
"500005"	841.320771	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M-2H+NH4"	16.019271
"874525"	291.119771	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-2H+NH4"	16.019271
"44248"	571.175666	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M-2H+Na"	20.974666
"476151"	846.276166	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M-2H+Na"	20.974666
"863318"	296.075166	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-2H+Na"	20.974666
"1631152"	296.075166	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Na-2H"	20.974666
"106591"	292.081563	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M-H+Cl"	33.962126
"546150"	429.631813	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M-H+Cl"	33.962126
"934197"	154.531313	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-H+Cl"	33.962126
"270930"	585.170402	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+Cl"	34.969402
"667360"	860.270902	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+Cl"	34.969402
"1279765"	310.069902	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Cl"	34.969402
"26696"	587.149606	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M-2H+K"	36.948606
"464068"	862.250106	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M-2H+K"	36.948606
"842965"	312.049106	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-2H+K"	36.948606
"1563171"	312.049106	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+K-2H"	36.948606
"949960"	320.098694	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-H+HCOOH"	44.998194
"365986"	595.199201	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+HCOOH-H"	44.998201
"348779"	609.214851	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+Hac-H"	59.013851
"1500893"	334.114351	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Hac-H"	59.013851
"965154"	342.080651	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-H+NaCOOH"	66.980151
"123177"	310.069902	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+2Cl"	69.938804
"560184"	447.620152	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+2Cl"	69.938804
"1031902"	172.519652	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2Cl"	69.938804
"1252937"	354.019385	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Br"	78.918885
"1314293"	356.075372	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Cl+HCOOH"	80.974872
"1325225"	378.057329	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Cl+NaCOOH"	102.956829
"922845"	388.086086	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M-H+CF3COOH"	112.985586
"1294085"	424.062764	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Cl+CF3COOH"	148.962264
"1377722"	240.087824	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H-2H2O"	-35.012676
"1393029"	258.0978	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H-H2O"	-17.0027
"293809"	551.208276	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+H"	1.007276
"688783"	826.308776	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+H"	1.007276
"1365148"	276.107776	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H"	1.007276
"138765"	276.107776	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+2H"	2.014552
"581120"	413.658026	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+2H"	2.014552
"1048219"	138.557526	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2H"	2.014552
"207374"	184.407609333333	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+3H"	3.021828
"653490"	276.107776	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+3H"	3.021828
"1171618"	92.7074426666667	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+3H"	3.021828
"433796"	568.234823	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+NH4"	18.033823
"792601"	843.335323	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+NH4"	18.033823
"1686750"	293.134323	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+NH4"	18.033823
"337214"	284.6210495	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+H+NH4"	19.041099
"728905"	422.1712995	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+H+NH4"	19.041099
"1485641"	147.0707995	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H+NH4"	19.041099
"399948"	573.190218	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+Na"	22.989218
"762036"	848.290718	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+Na"	22.989218
"1611228"	298.089718	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Na"	22.989218
"323450"	287.098747	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+H+Na"	23.996494
"718059"	424.648997	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+H+Na"	23.996494
"1474067"	149.548497	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H+Na"	23.996494
"1066949"	100.034756666667	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2H+Na"	25.00377
"1272400"	308.133986	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+CH3OH+H"	33.033486
"388665"	589.164158	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+K"	38.963158
"739459"	864.264658	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+K"	38.963158
"1545157"	314.063658	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+K"	38.963158
"302696"	295.085717	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+H+K"	39.970434
"695847"	432.635967	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+H+K"	39.970434
"1452948"	157.535467	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H+K"	39.970434
"248113"	592.234826	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+ACN+H"	42.033826
"1221914"	317.134326	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+ACN+H"	42.033826
"1209080"	159.070801	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+ACN+2H"	43.041102
"203659"	595.17216	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+2Na-H"	44.97116
"643700"	870.27266	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+2Na-H"	44.97116
"1146482"	320.07166	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2Na-H"	44.97116
"187950"	298.089718	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+2Na"	45.978436
"627142"	435.639968	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+2Na"	45.978436
"1130530"	160.539468	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2Na"	45.978436
"1412585"	107.362070666667	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H+2Na"	46.985712
"1443361"	322.113246	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H+HCOOH"	47.012746
"235380"	303.12274	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+3H2O+2H"	56.04448
"1523563"	336.16529	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+IsoProp+H"	61.06479
"423945"	306.076688	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+Na+K"	61.952376
"785336"	443.626938	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+Na+K"	61.952376
"1680342"	168.526438	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Na+K"	61.952376
"265889"	614.216768	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+ACN+Na"	64.015768
"1240785"	339.116268	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+ACN+Na"	64.015768
"1726996"	339.139793	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+NH4+HCOOH"	64.039293
"1191623"	114.689384666667	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+3Na"	68.967654
"1661874"	344.095188	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Na+HCOOH"	68.994688
"167279"	627.12004	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+2K-H"	76.91904
"605019"	902.22054	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+2K-H"	76.91904
"1087345"	352.01954	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2K-H"	76.91904
"148535"	314.063658	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"2M+2K"	77.926316
"591376"	451.613908	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"3M+2K"	77.926316
"1078074"	176.513408	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2K"	77.926316
"1113471"	354.034092	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2K+H"	78.933592
"1349981"	354.121707	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+DMSO+H"	79.021207
"1019115"	358.160876	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2ACN+H"	83.060376
"1537974"	359.154508	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+IsoProp+Na+H"	84.054008
"1004056"	179.584076	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+2ACN+2H"	84.067652
"1599650"	360.069128	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+K+HCOOH"	84.968628
"1425309"	390.100638	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+H+CF3COOH"	115.000138
"1161917"	200.097351	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+3ACN+2H"	125.094202
"1711710"	407.127185	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+NH4+CF3COOH"	132.026685
"1648450"	412.08258	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+Na+CF3COOH"	136.98208
"1585193"	428.05652	"C08328"	"Cardiospermin"	"C11H17NO7"	"275.1005"	"M+K+CF3COOH"	152.95602
"804622"	271.1056	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M"	0
"980342"	252.08721	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-H2O-H"	-19.01839
"74052"	179.729790666667	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M-3H"	-3.021828
"505956"	270.098324	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M-3H"	-3.021828
"890325"	89.3612573333333	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-3H"	-3.021828
"12553"	270.098324	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M-2H"	-2.014552
"455368"	405.651124	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M-2H"	-2.014552
"831741"	134.545524	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-2H"	-2.014552
"94088"	541.203924	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M-H"	-1.007276
"532994"	812.309524	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M-H"	-1.007276
"909096"	270.098324	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-H"	-1.007276
"59096"	558.230471	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M-2H+NH4"	16.019271
"500844"	829.336071	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M-2H+NH4"	16.019271
"876093"	287.124871	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-2H+NH4"	16.019271
"44358"	563.185866	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M-2H+Na"	20.974666
"476261"	834.291466	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M-2H+Na"	20.974666
"859537"	292.080266	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-2H+Na"	20.974666
"1629076"	292.080266	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Na-2H"	20.974666
"102326"	288.086663	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M-H+Cl"	33.962126
"546260"	423.639463	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M-H+Cl"	33.962126
"934307"	152.533863	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-H+Cl"	33.962126
"270676"	577.180602	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+Cl"	34.969402
"667470"	848.286202	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+Cl"	34.969402
"1278782"	306.075002	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Cl"	34.969402
"22431"	579.159806	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M-2H+K"	36.948606
"460898"	850.265406	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M-2H+K"	36.948606
"845260"	308.054206	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-2H+K"	36.948606
"1558907"	308.054206	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+K-2H"	36.948606
"948976"	316.103794	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-H+HCOOH"	44.998194
"363908"	587.209401	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+HCOOH-H"	44.998201
"353261"	601.225051	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+Hac-H"	59.013851
"1501003"	330.119451	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Hac-H"	59.013851
"966357"	338.085751	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-H+NaCOOH"	66.980151
"122193"	306.075002	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+2Cl"	69.938804
"561388"	441.627802	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+2Cl"	69.938804
"1033105"	170.522202	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2Cl"	69.938804
"1252683"	350.024485	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Br"	78.918885
"1312216"	352.080472	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Cl+HCOOH"	80.974872
"1323876"	374.062429	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Cl+NaCOOH"	102.956829
"920768"	384.091186	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M-H+CF3COOH"	112.985586
"1294195"	420.067864	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Cl+CF3COOH"	148.962264
"1372362"	236.092924	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H-2H2O"	-35.012676
"1388766"	254.1029	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H-H2O"	-17.0027
"290639"	543.218476	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+H"	1.007276
"685246"	814.324076	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+H"	1.007276
"1363795"	272.112876	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H"	1.007276
"137780"	272.112876	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+2H"	2.014552
"579891"	407.665676	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+2H"	2.014552
"1049057"	136.560076	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2H"	2.014552
"208208"	181.744342666667	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+3H"	3.021828
"647402"	272.112876	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+3H"	3.021828
"1167715"	91.3758093333333	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+3H"	3.021828
"428072"	560.245023	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+NH4"	18.033823
"791253"	831.350623	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+NH4"	18.033823
"1685763"	289.139423	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+NH4"	18.033823
"331489"	280.6261495	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+H+NH4"	19.041099
"725368"	416.1789495	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+H+NH4"	19.041099
"1480646"	145.0733495	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H+NH4"	19.041099
"398966"	565.200418	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+Na"	22.989218
"757773"	836.306018	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+Na"	22.989218
"1608058"	294.094818	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Na"	22.989218
"320280"	283.103847	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+H+Na"	23.996494
"714888"	418.656647	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+H+Na"	23.996494
"1471990"	147.551047	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H+Na"	23.996494
"1064145"	98.7031233333333	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2H+Na"	25.00377
"1269833"	304.139086	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+CH3OH+H"	33.033486
"382213"	581.174358	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+K"	38.963158
"741023"	852.279958	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+K"	38.963158
"1541255"	310.068758	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+K"	38.963158
"303169"	291.090817	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+H+K"	39.970434
"698144"	426.643617	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+H+K"	39.970434
"1454151"	155.538017	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H+K"	39.970434
"249680"	584.245026	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+ACN+H"	42.033826
"1222753"	313.139426	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+ACN+H"	42.033826
"1207366"	157.073351	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+ACN+2H"	43.041102
"203924"	587.18236	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+2Na-H"	44.97116
"644094"	858.28796	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+2Na-H"	44.97116
"1145367"	316.07676	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2Na-H"	44.97116
"185128"	294.094818	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+2Na"	45.978436
"627245"	429.647618	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+2Na"	45.978436
"1124915"	158.542018	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2Na"	45.978436
"1412816"	106.030437333333	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H+2Na"	46.985712
"1440555"	318.118346	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H+HCOOH"	47.012746
"235243"	299.12784	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+3H2O+2H"	56.04448
"1524037"	332.17039	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+IsoProp+H"	61.06479
"423646"	302.081788	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+Na+K"	61.952376
"784106"	437.634588	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+Na+K"	61.952376
"1680450"	166.528988	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Na+K"	61.952376
"265995"	606.226968	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+ACN+Na"	64.015768
"1241139"	335.121368	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+ACN+Na"	64.015768
"1727960"	335.144893	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+NH4+HCOOH"	64.039293
"1192583"	113.357751333333	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+3Na"	68.967654
"1659798"	340.100288	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Na+HCOOH"	68.994688
"164473"	619.13024	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+2K-H"	76.91904
"605128"	890.23584	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+2K-H"	76.91904
"1088548"	348.02464	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2K-H"	76.91904
"148645"	310.068758	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"2M+2K"	77.926316
"590393"	445.621558	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"3M+2K"	77.926316
"1078185"	174.515958	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2K"	77.926316
"1113824"	350.039192	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2K+H"	78.933592
"1349724"	350.126807	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+DMSO+H"	79.021207
"1018132"	354.165976	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2ACN+H"	83.060376
"1538084"	355.159608	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+IsoProp+Na+H"	84.054008
"1005018"	177.586626	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+2ACN+2H"	84.067652
"1601828"	356.074228	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+K+HCOOH"	84.968628
"1428579"	386.105738	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+H+CF3COOH"	115.000138
"1162392"	198.099901	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+3ACN+2H"	125.094202
"1712182"	403.132285	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+NH4+CF3COOH"	132.026685
"1649411"	408.08768	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+Na+CF3COOH"	136.98208
"1585303"	424.06162	"C08329"	"Deidaclin;NSC 370273"	"C12H17NO6"	"271.1056"	"M+K+CF3COOH"	152.95602
"812387"	311.1005	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M"	0
"979359"	292.08211	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-H2O-H"	-19.01839
"77323"	206.393057333333	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M-3H"	-3.021828
"509348"	310.093224	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M-3H"	-3.021828
"890435"	102.692890666667	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-3H"	-3.021828
"15500"	310.093224	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M-2H"	-2.014552
"455554"	465.643474	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M-2H"	-2.014552
"832664"	154.542974	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-2H"	-2.014552
"94035"	621.193724	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M-H"	-1.007276
"534049"	932.294224	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M-H"	-1.007276
"910664"	310.093224	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-H"	-1.007276
"59934"	638.220271	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M-2H+NH4"	16.019271
"501318"	949.320771	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M-2H+NH4"	16.019271
"876202"	327.119771	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-2H+NH4"	16.019271
"42645"	643.175666	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M-2H+Na"	20.974666
"476371"	954.276166	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M-2H+Na"	20.974666
"861470"	332.075166	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-2H+Na"	20.974666
"1629189"	332.075166	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Na-2H"	20.974666
"106812"	328.081563	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M-H+Cl"	33.962126
"548924"	483.631813	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M-H+Cl"	33.962126
"936605"	172.531313	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-H+Cl"	33.962126
"275161"	657.170402	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+Cl"	34.969402
"668676"	968.270902	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+Cl"	34.969402
"1282173"	346.069902	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Cl"	34.969402
"24728"	659.149606	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M-2H+K"	36.948606
"468662"	970.250106	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M-2H+K"	36.948606
"842090"	348.049106	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-2H+K"	36.948606
"1570928"	348.049106	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+K-2H"	36.948606
"958088"	356.098694	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-H+HCOOH"	44.998194
"375566"	667.199201	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+HCOOH-H"	44.998201
"356654"	681.214851	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+Hac-H"	59.013851
"1506945"	370.114351	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Hac-H"	59.013851
"969747"	378.080651	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-H+NaCOOH"	66.980151
"123032"	346.069902	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+2Cl"	69.938804
"562958"	501.620152	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+2Cl"	69.938804
"1035403"	190.519652	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2Cl"	69.938804
"1253887"	390.019385	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Br"	78.918885
"1310139"	392.075372	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Cl+HCOOH"	80.974872
"1328726"	414.057329	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Cl+NaCOOH"	102.956829
"921971"	424.086086	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M-H+CF3COOH"	112.985586
"1294305"	460.062764	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Cl+CF3COOH"	148.962264
"1377941"	276.087824	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H-2H2O"	-35.012676
"1391062"	294.0978	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H-H2O"	-17.0027
"294029"	623.208276	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+H"	1.007276
"685356"	934.308776	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+H"	1.007276
"1365731"	312.107776	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H"	1.007276
"141252"	312.107776	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+2H"	2.014552
"581164"	467.658026	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+2H"	2.014552
"1048440"	156.557526	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2H"	2.014552
"205771"	208.407609333333	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+3H"	3.021828
"648609"	312.107776	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+3H"	3.021828
"1166733"	104.707442666667	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+3H"	3.021828
"427817"	640.234823	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+NH4"	18.033823
"789910"	951.335323	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+NH4"	18.033823
"1686969"	329.134323	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+NH4"	18.033823
"333788"	320.6210495	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+H+NH4"	19.041099
"726573"	476.1712995	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+H+NH4"	19.041099
"1481488"	165.0707995	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H+NH4"	19.041099
"396886"	645.190218	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+Na"	22.989218
"762258"	956.290718	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+Na"	22.989218
"1607075"	334.089718	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Na"	22.989218
"323671"	323.098747	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+H+Na"	23.996494
"718278"	478.648997	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+H+Na"	23.996494
"1473923"	167.548497	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H+Na"	23.996494
"1066806"	112.034756666667	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2H+Na"	25.00377
"1271399"	344.133986	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+CH3OH+H"	33.033486
"386697"	661.164158	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+K"	38.963158
"740408"	972.264658	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+K"	38.963158
"1542827"	350.063658	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+K"	38.963158
"302916"	331.085717	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+H+K"	39.970434
"696069"	486.635967	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+H+K"	39.970434
"1456083"	175.535467	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H+K"	39.970434
"247967"	664.234826	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+ACN+H"	42.033826
"1224322"	353.134326	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+ACN+H"	42.033826
"1209778"	177.070801	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+ACN+2H"	43.041102
"204233"	667.17216	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+2Na-H"	44.97116
"644122"	978.27266	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+2Na-H"	44.97116
"1147038"	356.07166	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2Na-H"	44.97116
"186697"	334.089718	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+2Na"	45.978436
"627719"	489.639968	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+2Na"	45.978436
"1128305"	178.539468	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2Na"	45.978436
"1413290"	119.362070666667	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H+2Na"	46.985712
"1443217"	358.113246	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H+HCOOH"	47.012746
"235472"	339.12274	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+3H2O+2H"	56.04448
"1524080"	372.16529	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+IsoProp+H"	61.06479
"424118"	342.076688	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+Na+K"	61.952376
"784215"	497.626938	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+Na+K"	61.952376
"1680800"	186.526438	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Na+K"	61.952376
"267121"	686.216768	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+ACN+Na"	64.015768
"1241042"	375.116268	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+ACN+Na"	64.015768
"1728069"	375.139793	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+NH4+HCOOH"	64.039293
"1193662"	126.689384666667	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+3Na"	68.967654
"1659910"	380.095188	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Na+HCOOH"	68.994688
"162398"	699.12004	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+2K-H"	76.91904
"603052"	1010.22054	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+2K-H"	76.91904
"1085861"	388.01954	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2K-H"	76.91904
"145475"	350.063658	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"2M+2K"	77.926316
"585034"	505.613908	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"3M+2K"	77.926316
"1072827"	194.513408	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2K"	77.926316
"1110412"	390.034092	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2K+H"	78.933592
"1347889"	390.121707	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+DMSO+H"	79.021207
"1020676"	394.160876	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2ACN+H"	83.060376
"1535638"	395.154508	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+IsoProp+Na+H"	84.054008
"1005492"	197.584076	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+2ACN+2H"	84.067652
"1599871"	396.069128	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+K+HCOOH"	84.968628
"1427718"	426.100638	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+H+CF3COOH"	115.000138
"1162379"	218.097351	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+3ACN+2H"	125.094202
"1711928"	443.127185	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+NH4+CF3COOH"	132.026685
"1647576"	448.08258	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+Na+CF3COOH"	136.98208
"1585413"	464.05652	"C08330"	"p-Glucosyloxymandelonitrile"	"C14H17NO7"	"311.1005"	"M+K+CF3COOH"	152.95602
"802656"	303.0954	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M"	0
"979469"	284.07701	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-H2O-H"	-19.01839
"75367"	201.056324	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M-3H"	-3.021828
"508365"	302.088124	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M-3H"	-3.021828
"889450"	100.024524	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-3H"	-3.021828
"5835"	302.088124	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M-2H"	-2.014552
"451961"	453.635824	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M-2H"	-2.014552
"830866"	150.540424	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-2H"	-2.014552
"92684"	605.183524	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M-H"	-1.007276
"530419"	908.278924	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M-H"	-1.007276
"903843"	302.088124	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-H"	-1.007276
"59315"	622.210071	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M-2H+NH4"	16.019271
"498876"	925.305471	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M-2H+NH4"	16.019271
"875585"	319.114671	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-2H+NH4"	16.019271
"43849"	627.165466	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M-2H+Na"	20.974666
"482315"	930.260866	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M-2H+Na"	20.974666
"860851"	324.070066	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-2H+Na"	20.974666
"1627112"	324.070066	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Na-2H"	20.974666
"102547"	320.076463	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M-H+Cl"	33.962126
"544294"	471.624163	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M-H+Cl"	33.962126
"934528"	168.528763	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-H+Cl"	33.962126
"275271"	641.160202	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+Cl"	34.969402
"666599"	944.255602	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+Cl"	34.969402
"1285564"	338.064802	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Cl"	34.969402
"24839"	643.139406	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M-2H+K"	36.948606
"466585"	946.234806	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M-2H+K"	36.948606
"844387"	340.044006	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-2H+K"	36.948606
"1566783"	340.044006	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+K-2H"	36.948606
"956856"	348.093594	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-H+HCOOH"	44.998194
"375796"	651.189001	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+HCOOH-H"	44.998201
"360044"	665.204651	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+Hac-H"	59.013851
"1504502"	362.109251	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Hac-H"	59.013851
"972410"	370.075551	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-H+NaCOOH"	66.980151
"122413"	338.064802	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+2Cl"	69.938804
"563434"	489.612502	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+2Cl"	69.938804
"1035878"	186.517102	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2Cl"	69.938804
"1255456"	382.014285	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Br"	78.918885
"1310249"	384.070272	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Cl+HCOOH"	80.974872
"1327744"	406.052229	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Cl+NaCOOH"	102.956829
"913335"	416.080986	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M-H+CF3COOH"	112.985586
"1297699"	452.057664	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Cl+CF3COOH"	148.962264
"1373675"	268.082724	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H-2H2O"	-35.012676
"1393357"	286.0927	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H-H2O"	-17.0027
"294137"	607.198076	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+H"	1.007276
"688748"	910.293476	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+H"	1.007276
"1365104"	304.102676	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H"	1.007276
"140179"	304.102676	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+2H"	2.014552
"580356"	455.650376	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+2H"	2.014552
"1050369"	152.554976	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2H"	2.014552
"214262"	203.070876	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+3H"	3.021828
"650542"	304.102676	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+3H"	3.021828
"1167211"	102.039076	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+3H"	3.021828
"426835"	624.224623	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+NH4"	18.033823
"790019"	927.320023	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+NH4"	18.033823
"1683797"	321.129223	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+NH4"	18.033823
"334263"	312.6159495	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+H+NH4"	19.041099
"726684"	464.1636495	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+H+NH4"	19.041099
"1483785"	161.0682495	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H+NH4"	19.041099
"403560"	629.180018	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+Na"	22.989218
"762367"	932.275418	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+Na"	22.989218
"1610465"	326.084618	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Na"	22.989218
"327427"	315.093647	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+H+Na"	23.996494
"716202"	466.641347	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+H+Na"	23.996494
"1474397"	163.545947	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H+Na"	23.996494
"1063269"	109.36639	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2H+Na"	25.00377
"1271513"	336.128886	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+CH3OH+H"	33.033486
"387175"	645.153958	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+K"	38.963158
"739061"	948.249358	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+K"	38.963158
"1546583"	342.058558	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+K"	38.963158
"302664"	323.080617	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+H+K"	39.970434
"698366"	474.628317	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+H+K"	39.970434
"1449999"	171.532917	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H+K"	39.970434
"242975"	648.224626	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+ACN+H"	42.033826
"1225571"	345.129226	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+ACN+H"	42.033826
"1209044"	173.068251	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+ACN+2H"	43.041102
"203251"	651.16196	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+2Na-H"	44.97116
"641107"	954.25736	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+2Na-H"	44.97116
"1144248"	348.06656	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2Na-H"	44.97116
"184255"	326.084618	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+2Na"	45.978436
"621627"	477.632318	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+2Na"	45.978436
"1121854"	174.536918	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2Na"	45.978436
"1403190"	116.693704	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H+2Na"	46.985712
"1436401"	350.108146	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H+HCOOH"	47.012746
"234729"	331.11764	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+3H2O+2H"	56.04448
"1520358"	364.16019	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+IsoProp+H"	61.06479
"424019"	334.071588	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+Na+K"	61.952376
"783231"	485.619288	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+Na+K"	61.952376
"1680302"	182.523888	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Na+K"	61.952376
"266094"	670.206568	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+ACN+Na"	64.015768
"1240623"	367.111168	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+ACN+Na"	64.015768
"1727895"	367.134693	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+NH4+HCOOH"	64.039293
"1193935"	124.021018	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+3Na"	68.967654
"1661115"	372.090088	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Na+HCOOH"	68.994688
"165788"	683.10984	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+2K-H"	76.91904
"608630"	986.20524	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+2K-H"	76.91904
"1085240"	380.01444	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2K-H"	76.91904
"144492"	342.058558	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"2M+2K"	77.926316
"585145"	493.606258	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"3M+2K"	77.926316
"1075125"	190.510858	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2K"	77.926316
"1106145"	382.028992	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2K+H"	78.933592
"1341439"	382.116607	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+DMSO+H"	79.021207
"1013246"	386.155776	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2ACN+H"	83.060376
"1534656"	387.149408	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+IsoProp+Na+H"	84.054008
"1004508"	193.581526	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+2ACN+2H"	84.067652
"1596699"	388.064028	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+K+HCOOH"	84.968628
"1428921"	418.095538	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+H+CF3COOH"	115.000138
"1161029"	214.094801	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+3ACN+2H"	125.094202
"1712403"	435.122085	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+NH4+CF3COOH"	132.026685
"1647686"	440.07748	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+Na+CF3COOH"	136.98208
"1585523"	456.05142	"C08331"	"Gynocardin;2-Cyclopentene-1-carbonitrile 1-(beta-D-glucopyranosyloxy)-45-dihydroxy-(1alpha4alpha5beta)-"	"C12H17NO8"	"303.0954"	"M+K+CF3COOH"	152.95602
"804952"	261.1212	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M"	0
"980671"	242.10281	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-H2O-H"	-19.01839
"68917"	173.073524	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M-3H"	-3.021828
"509568"	260.113924	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M-3H"	-3.021828
"891744"	86.033124	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-3H"	-3.021828
"5945"	260.113924	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M-2H"	-2.014552
"452071"	390.674524	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M-2H"	-2.014552
"830247"	129.553324	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-2H"	-2.014552
"93890"	521.235124	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M-H"	-1.007276
"532597"	782.356324	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M-H"	-1.007276
"903953"	260.113924	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-H"	-1.007276
"59789"	538.261671	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M-2H+NH4"	16.019271
"498986"	799.382871	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M-2H+NH4"	16.019271
"877639"	277.140471	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-2H+NH4"	16.019271
"44688"	543.217066	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M-2H+Na"	20.974666
"479873"	804.338266	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M-2H+Na"	20.974666
"853302"	282.095866	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-2H+Na"	20.974666
"1633168"	282.095866	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Na-2H"	20.974666
"99376"	278.102263	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M-H+Cl"	33.962126
"541124"	408.662863	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M-H+Cl"	33.962126
"933544"	147.541663	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-H+Cl"	33.962126
"275381"	557.211802	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+Cl"	34.969402
"666709"	818.333002	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+Cl"	34.969402
"1283487"	296.090602	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Cl"	34.969402
"27135"	559.191006	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M-2H+K"	36.948606
"464508"	820.312206	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M-2H+K"	36.948606
"841217"	298.069806	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-2H+K"	36.948606
"1564707"	298.069806	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+K-2H"	36.948606
"953683"	306.119394	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-H+HCOOH"	44.998194
"367522"	567.240601	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+HCOOH-H"	44.998201
"353593"	581.256251	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+Hac-H"	59.013851
"1498051"	320.135051	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Hac-H"	59.013851
"968875"	328.101351	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-H+NaCOOH"	66.980151
"123981"	296.090602	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+2Cl"	69.938804
"563181"	426.651202	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+2Cl"	69.938804
"1035625"	165.530002	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2Cl"	69.938804
"1256499"	340.040085	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Br"	78.918885
"1315825"	342.096072	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Cl+HCOOH"	80.974872
"1330041"	364.078029	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Cl+NaCOOH"	102.956829
"916725"	374.106786	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M-H+CF3COOH"	112.985586
"1301089"	410.083464	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Cl+CF3COOH"	148.962264
"1379252"	226.108524	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H-2H2O"	-35.012676
"1395654"	244.1185	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H-H2O"	-17.0027
"294247"	523.249676	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+H"	1.007276
"688857"	784.370876	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+H"	1.007276
"1365941"	262.128476	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H"	1.007276
"138101"	262.128476	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+2H"	2.014552
"579856"	392.689076	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+2H"	2.014552
"1050480"	131.567876	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2H"	2.014552
"214373"	175.088076	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+3H"	3.021828
"651746"	262.128476	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+3H"	3.021828
"1166593"	88.047676	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+3H"	3.021828
"426217"	540.276223	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+NH4"	18.033823
"787577"	801.397423	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+NH4"	18.033823
"1682087"	279.155023	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+NH4"	18.033823
"331456"	270.6417495	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+H+NH4"	19.041099
"727888"	401.2023495	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+H+NH4"	19.041099
"1483896"	140.0811495	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H+NH4"	19.041099
"400389"	545.231618	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+Na"	22.989218
"763569"	806.352818	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+Na"	22.989218
"1612760"	284.110418	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Na"	22.989218
"324983"	273.119447	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+H+Na"	23.996494
"717405"	403.680047	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+H+Na"	23.996494
"1470132"	142.558847	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H+Na"	23.996494
"1063379"	95.37499	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2H+Na"	25.00377
"1270160"	294.154686	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+CH3OH+H"	33.033486
"384730"	561.205558	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+K"	38.963158
"740630"	822.326758	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+K"	38.963158
"1543413"	300.084358	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+K"	38.963158
"311158"	281.106417	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+H+K"	39.970434
"702486"	411.667017	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+H+K"	39.970434
"1456671"	150.545817	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H+K"	39.970434
"248188"	564.276226	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+ACN+H"	42.033826
"1225157"	303.155026	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+ACN+H"	42.033826
"1209155"	152.081151	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+ACN+2H"	43.041102
"203484"	567.21356	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+2Na-H"	44.97116
"642310"	828.33476	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+2Na-H"	44.97116
"1145086"	306.09236	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2Na-H"	44.97116
"184365"	284.110418	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+2Na"	45.978436
"623923"	414.671018	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+2Na"	45.978436
"1123057"	153.549818	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2Na"	45.978436
"1403298"	102.702304	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H+2Na"	46.985712
"1437604"	308.133946	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H+HCOOH"	47.012746
"234596"	289.14344	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+3H2O+2H"	56.04448
"1522655"	322.18599	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+IsoProp+H"	61.06479
"421985"	292.097388	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+Na+K"	61.952376
"782977"	422.657988	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+Na+K"	61.952376
"1679323"	161.536788	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Na+K"	61.952376
"265477"	586.258168	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+ACN+Na"	64.015768
"1240371"	325.136968	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+ACN+Na"	64.015768
"1727559"	325.160493	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+NH4+HCOOH"	64.039293
"1193154"	110.029618	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+3Na"	68.967654
"1664630"	330.115888	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Na+HCOOH"	68.994688
"169909"	599.16144	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+2K-H"	76.91904
"609835"	860.28264	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+2K-H"	76.91904
"1087782"	338.04024	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2K-H"	76.91904
"147883"	300.084358	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"2M+2K"	77.926316
"586350"	430.644958	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"3M+2K"	77.926316
"1078516"	169.523758	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2K"	77.926316
"1106256"	340.054792	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2K+H"	78.933592
"1348110"	340.142407	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+DMSO+H"	79.021207
"1015180"	344.181576	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2ACN+H"	83.060376
"1539264"	345.175208	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+IsoProp+Na+H"	84.054008
"1004496"	172.594426	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+2ACN+2H"	84.067652
"1598996"	346.089828	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+K+HCOOH"	84.968628
"1427938"	376.121338	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+H+CF3COOH"	115.000138
"1160775"	193.107701	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+3ACN+2H"	125.094202
"1711421"	393.147885	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+NH4+CF3COOH"	132.026685
"1646703"	398.10328	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+Na+CF3COOH"	136.98208
"1585633"	414.07722	"C08332"	"Heterodendrin"	"C11H19NO6"	"261.1212"	"M+K+CF3COOH"	152.95602
"802144"	409.1584	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M"	0
"976409"	390.14001	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-H2O-H"	-19.01839
"72307"	271.764990666667	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M-3H"	-3.021828
"508585"	408.151124	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M-3H"	-3.021828
"889668"	135.378857333333	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-3H"	-3.021828
"4962"	408.151124	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M-2H"	-2.014552
"448900"	612.730324	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M-2H"	-2.014552
"832512"	203.571924	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-2H"	-2.014552
"93599"	817.309524	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M-H"	-1.007276
"533315"	1226.467924	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M-H"	-1.007276
"907343"	408.151124	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-H"	-1.007276
"60261"	834.336071	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M-2H+NH4"	16.019271
"501041"	1243.494471	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M-2H+NH4"	16.019271
"875803"	425.177671	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-2H+NH4"	16.019271
"41516"	839.291466	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M-2H+Na"	20.974666
"476702"	1248.449866	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M-2H+Na"	20.974666
"857786"	430.133066	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-2H+Na"	20.974666
"1633038"	430.133066	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Na-2H"	20.974666
"96569"	426.139463	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M-H+Cl"	33.962126
"537953"	630.718663	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M-H+Cl"	33.962126
"932561"	221.560263	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-H+Cl"	33.962126
"272210"	853.286202	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+Cl"	34.969402
"667911"	1262.444602	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+Cl"	34.969402
"1280313"	444.127802	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Cl"	34.969402
"23963"	855.265406	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M-2H+K"	36.948606
"464617"	1264.423806	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M-2H+K"	36.948606
"839139"	446.107006	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-2H+K"	36.948606
"1562626"	446.107006	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+K-2H"	36.948606
"946135"	454.156594	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-H+HCOOH"	44.998194
"371641"	863.315001	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+HCOOH-H"	44.998201
"353702"	877.330651	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+Hac-H"	59.013851
"1506548"	468.172251	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Hac-H"	59.013851
"967890"	476.138551	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-H+NaCOOH"	66.980151
"123361"	444.127802	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+2Cl"	69.938804
"564751"	648.707002	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+2Cl"	69.938804
"1036098"	239.548602	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2Cl"	69.938804
"1256285"	488.077285	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Br"	78.918885
"1319216"	490.133272	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Cl+HCOOH"	80.974872
"1330151"	512.115229	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Cl+NaCOOH"	102.956829
"916105"	522.143986	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M-H+CF3COOH"	112.985586
"1303265"	558.120664	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Cl+CF3COOH"	148.962264
"1379362"	374.145724	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H-2H2O"	-35.012676
"1391391"	392.1557	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H-H2O"	-17.0027
"296544"	819.324076	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+H"	1.007276
"687874"	1228.482476	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+H"	1.007276
"1364958"	410.165676	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H"	1.007276
"136023"	410.165676	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+2H"	2.014552
"578144"	614.744876	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+2H"	2.014552
"1048400"	205.586476	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2H"	2.014552
"214483"	273.779542666667	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+3H"	3.021828
"648940"	410.165676	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+3H"	3.021828
"1163539"	137.393409333333	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+3H"	3.021828
"424744"	836.350623	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+NH4"	18.033823
"786347"	1245.509023	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+NH4"	18.033823
"1684018"	427.192223	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+NH4"	18.033823
"331202"	418.6789495	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+H+NH4"	19.041099
"727998"	623.2581495	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+H+NH4"	19.041099
"1479629"	214.0997495	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H+NH4"	19.041099
"396123"	841.306018	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+Na"	22.989218
"760398"	1250.464418	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+Na"	22.989218
"1611776"	432.147618	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Na"	22.989218
"320719"	421.156647	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+H+Na"	23.996494
"716419"	625.735847	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+H+Na"	23.996494
"1466961"	216.577447	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H+Na"	23.996494
"1058020"	144.720723333333	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2H+Na"	25.00377
"1266259"	442.191886	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+CH3OH+H"	33.033486
"381558"	857.279958	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+K"	38.963158
"742562"	1266.438358	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+K"	38.963158
"1544614"	448.121558	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+K"	38.963158
"306528"	429.143617	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+H+K"	39.970434
"698586"	633.722817	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+H+K"	39.970434
"1452406"	224.564417	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H+K"	39.970434
"247205"	860.350626	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+ACN+H"	42.033826
"1224903"	451.192226	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+ACN+H"	42.033826
"1208415"	226.099751	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+ACN+2H"	43.041102
"203350"	863.28796	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+2Na-H"	44.97116
"637681"	1272.44636	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+2Na-H"	44.97116
"1143373"	454.12956	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2Na-H"	44.97116
"185203"	432.147618	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+2Na"	45.978436
"621117"	636.726818	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+2Na"	45.978436
"1121708"	227.568418	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2Na"	45.978436
"1403772"	152.048037333333	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H+2Na"	46.985712
"1435527"	456.171146	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H+HCOOH"	47.012746
"235317"	437.18064	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+3H2O+2H"	56.04448
"1523129"	470.22319	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+IsoProp+H"	61.06479
"422827"	440.134588	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+Na+K"	61.952376
"783819"	644.713788	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+Na+K"	61.952376
"1680851"	235.555388	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Na+K"	61.952376
"266564"	882.332568	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+ACN+Na"	64.015768
"1240847"	473.174168	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+ACN+Na"	64.015768
"1727793"	473.197693	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+NH4+HCOOH"	64.039293
"1192779"	159.375351333333	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+3Na"	68.967654
"1664619"	478.153088	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Na+HCOOH"	68.994688
"169291"	895.23584	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+2K-H"	76.91904
"607758"	1304.39424	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+2K-H"	76.91904
"1085707"	486.07744	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2K-H"	76.91904
"145805"	448.121558	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"2M+2K"	77.926316
"586460"	652.700758	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"3M+2K"	77.926316
"1076439"	243.542358	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2K"	77.926316
"1103085"	488.091992	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2K+H"	78.933592
"1344940"	488.179607	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+DMSO+H"	79.021207
"1014562"	492.218776	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2ACN+H"	83.060376
"1530502"	493.212408	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+IsoProp+Na+H"	84.054008
"1003269"	246.613026	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+2ACN+2H"	84.067652
"1596920"	494.127028	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+K+HCOOH"	84.968628
"1428413"	524.158538	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+H+CF3COOH"	115.000138
"1159793"	267.126301	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+3ACN+2H"	125.094202
"1711166"	541.185085	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+NH4+CF3COOH"	132.026685
"1645721"	546.14048	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+Na+CF3COOH"	136.98208
"1585743"	562.11442	"C08333"	"Linustatin"	"C16H27NO11"	"409.1584"	"M+K+CF3COOH"	152.95602
"802985"	261.1212	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M"	0
"977611"	242.10281	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-H2O-H"	-19.01839
"75697"	173.073524	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M-3H"	-3.021828
"508695"	260.113924	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M-3H"	-3.021828
"889778"	86.033124	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-3H"	-3.021828
"5072"	260.113924	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M-2H"	-2.014552
"452292"	390.674524	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M-2H"	-2.014552
"832728"	129.553324	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-2H"	-2.014552
"93620"	521.235124	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M-H"	-1.007276
"534232"	782.356324	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M-H"	-1.007276
"910735"	260.113924	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-H"	-1.007276
"61099"	538.261671	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M-2H+NH4"	16.019271
"500664"	799.382871	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M-2H+NH4"	16.019271
"874818"	277.140471	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-2H+NH4"	16.019271
"39439"	543.217066	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M-2H+Na"	20.974666
"474625"	804.338266	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M-2H+Na"	20.974666
"861176"	282.095866	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-2H+Na"	20.974666
"1633268"	282.095866	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Na-2H"	20.974666
"96315"	278.102263	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M-H+Cl"	33.962126
"538427"	408.662863	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M-H+Cl"	33.962126
"931577"	147.541663	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-H+Cl"	33.962126
"274507"	557.211802	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+Cl"	34.969402
"670208"	818.333002	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+Cl"	34.969402
"1283703"	296.090602	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Cl"	34.969402
"26260"	559.191006	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M-2H+K"	36.948606
"470195"	820.312206	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M-2H+K"	36.948606
"837063"	298.069806	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-2H+K"	36.948606
"1563830"	298.069806	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+K-2H"	36.948606
"946245"	306.119394	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-H+HCOOH"	44.998194
"371751"	567.240601	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+HCOOH-H"	44.998201
"354905"	581.256251	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+Hac-H"	59.013851
"1506659"	320.135051	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Hac-H"	59.013851
"966907"	328.101351	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-H+NaCOOH"	66.980151
"125173"	296.090602	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+2Cl"	69.938804
"565224"	426.651202	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+2Cl"	69.938804
"1036452"	165.530002	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2Cl"	69.938804
"1256519"	340.040085	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Br"	78.918885
"1318962"	342.096072	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Cl+HCOOH"	80.974872
"1333178"	364.078029	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Cl+NaCOOH"	102.956829
"922048"	374.106786	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M-H+CF3COOH"	112.985586
"1303258"	410.083464	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Cl+CF3COOH"	148.962264
"1382024"	226.108524	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H-2H2O"	-35.012676
"1392594"	244.1185	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H-H2O"	-17.0027
"297871"	523.249676	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+H"	1.007276
"689077"	784.370876	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+H"	1.007276
"1365069"	262.128476	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H"	1.007276
"137227"	262.128476	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+2H"	2.014552
"578979"	392.689076	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+2H"	2.014552
"1048873"	131.567876	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2H"	2.014552
"215685"	175.088076	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+3H"	3.021828
"646862"	262.128476	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+3H"	3.021828
"1165351"	88.047676	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+3H"	3.021828
"426073"	540.276223	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+NH4"	18.033823
"787430"	801.397423	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+NH4"	18.033823
"1684126"	279.155023	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+NH4"	18.033823
"332770"	270.6417495	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+H+NH4"	19.041099
"726286"	401.2023495	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+H+NH4"	19.041099
"1483021"	140.0811495	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H+NH4"	19.041099
"395501"	545.231618	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+Na"	22.989218
"760506"	806.352818	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+Na"	22.989218
"1608604"	284.110418	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Na"	22.989218
"323014"	273.119447	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+H+Na"	23.996494
"716528"	403.680047	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+H+Na"	23.996494
"1468163"	142.558847	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H+Na"	23.996494
"1059223"	95.37499	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2H+Na"	25.00377
"1267462"	294.154686	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+CH3OH+H"	33.033486
"382761"	561.205558	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+K"	38.963158
"745953"	822.326758	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+K"	38.963158
"1548006"	300.084358	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+K"	38.963158
"308461"	281.106417	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+H+K"	39.970434
"703068"	411.667017	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+H+K"	39.970434
"1453608"	150.545817	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H+K"	39.970434
"250966"	564.276226	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+ACN+H"	42.033826
"1225613"	303.155026	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+ACN+H"	42.033826
"1207918"	152.081151	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+ACN+2H"	43.041102
"203866"	567.21356	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+2Na-H"	44.97116
"642896"	828.33476	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+2Na-H"	44.97116
"1146036"	306.09236	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2Na-H"	44.97116
"182398"	284.110418	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+2Na"	45.978436
"621957"	414.671018	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+2Na"	45.978436
"1124002"	153.549818	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2Na"	45.978436
"1405705"	102.702304	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H+2Na"	46.985712
"1436726"	308.133946	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H+HCOOH"	47.012746
"235571"	289.14344	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+3H2O+2H"	56.04448
"1523240"	322.18599	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+IsoProp+H"	61.06479
"423304"	292.097388	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+Na+K"	61.952376
"784296"	422.657988	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+Na+K"	61.952376
"1680265"	161.536788	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Na+K"	61.952376
"266420"	586.258168	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+ACN+Na"	64.015768
"1240836"	325.136968	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+ACN+Na"	64.015768
"1728290"	325.160493	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+NH4+HCOOH"	64.039293
"1191540"	110.029618	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+3Na"	68.967654
"1664365"	330.115888	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Na+HCOOH"	68.994688
"167943"	599.16144	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+2K-H"	76.91904
"608596"	860.28264	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+2K-H"	76.91904
"1086182"	338.04024	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2K-H"	76.91904
"147009"	300.084358	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"2M+2K"	77.926316
"587664"	430.644958	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"3M+2K"	77.926316
"1076550"	169.523758	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2K"	77.926316
"1104289"	340.054792	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2K+H"	78.933592
"1344686"	340.142407	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+DMSO+H"	79.021207
"1013580"	344.181576	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2ACN+H"	83.060376
"1530611"	345.175208	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+IsoProp+Na+H"	84.054008
"1002528"	172.594426	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+2ACN+2H"	84.067652
"1598125"	346.089828	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+K+HCOOH"	84.968628
"1424876"	376.121338	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+H+CF3COOH"	115.000138
"1159538"	193.107701	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+3ACN+2H"	125.094202
"1712369"	393.147885	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+NH4+CF3COOH"	132.026685
"1648018"	398.10328	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+Na+CF3COOH"	136.98208
"1585853"	414.07722	"C08334"	"Lotaustralin"	"C11H19NO6"	"261.1212"	"M+K+CF3COOH"	152.95602
"801632"	427.1478	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M"	0
"976628"	408.12941	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-H2O-H"	-19.01839
"72527"	283.757924	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M-3H"	-3.021828
"506619"	426.140524	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M-3H"	-3.021828
"885515"	141.375324	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-3H"	-3.021828
"1902"	426.140524	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M-2H"	-2.014552
"452402"	639.714424	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M-2H"	-2.014552
"832523"	212.566624	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-2H"	-2.014552
"93850"	853.288324	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M-H"	-1.007276
"534139"	1280.436124	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M-H"	-1.007276
"910967"	426.140524	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-H"	-1.007276
"61209"	870.314871	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M-2H+NH4"	16.019271
"502795"	1297.462671	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M-2H+NH4"	16.019271
"877724"	443.167071	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-2H+NH4"	16.019271
"42829"	875.270266	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M-2H+Na"	20.974666
"485186"	1302.418066	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M-2H+Na"	20.974666
"863233"	448.122466	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-2H+Na"	20.974666
"1631916"	448.122466	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Na-2H"	20.974666
"105165"	444.128863	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M-H+Cl"	33.962126
"543640"	657.702763	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M-H+Cl"	33.962126
"931687"	230.554963	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-H+Cl"	33.962126
"277897"	889.265002	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+Cl"	34.969402
"672505"	1316.412802	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+Cl"	34.969402
"1284906"	462.117202	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Cl"	34.969402
"26371"	891.244206	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M-2H+K"	36.948606
"469213"	1318.392006	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M-2H+K"	36.948606
"842641"	464.096406	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-2H+K"	36.948606
"1559567"	464.096406	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+K-2H"	36.948606
"954739"	472.145994	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-H+HCOOH"	44.998194
"375142"	899.293801	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+HCOOH-H"	44.998201
"353922"	913.309451	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+Hac-H"	59.013851
"1506772"	486.161651	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Hac-H"	59.013851
"969204"	494.127951	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-H+NaCOOH"	66.980151
"124314"	462.117202	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+2Cl"	69.938804
"565643"	675.691102	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+2Cl"	69.938804
"1036685"	248.543302	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2Cl"	69.938804
"1256386"	506.066685	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Br"	78.918885
"1319522"	508.122672	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Cl+HCOOH"	80.974872
"1335111"	530.104629	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Cl+NaCOOH"	102.956829
"922158"	540.133386	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M-H+CF3COOH"	112.985586
"1303814"	576.110064	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Cl+CF3COOH"	148.962264
"1382422"	392.135124	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H-2H2O"	-35.012676
"1395986"	410.1451	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H-H2O"	-17.0027
"298223"	855.302876	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+H"	1.007276
"689187"	1282.450676	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+H"	1.007276
"1363355"	428.155076	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H"	1.007276
"130048"	428.155076	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+2H"	2.014552
"577993"	641.728976	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+2H"	2.014552
"1044610"	214.581176	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2H"	2.014552
"215062"	285.772476	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+3H"	3.021828
"645877"	428.155076	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+3H"	3.021828
"1164730"	143.389876	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+3H"	3.021828
"426547"	872.329423	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+NH4"	18.033823
"788637"	1299.477223	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+NH4"	18.033823
"1682777"	445.181623	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+NH4"	18.033823
"330689"	436.6683495	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+H+NH4"	19.041099
"726030"	650.2422495	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+H+NH4"	19.041099
"1479121"	223.0944495	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H+NH4"	19.041099
"394154"	877.284818	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+Na"	22.989218
"757336"	1304.432618	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+Na"	22.989218
"1607622"	450.137018	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Na"	22.989218
"319846"	439.146047	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+H+Na"	23.996494
"713360"	652.719947	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+H+Na"	23.996494
"1469367"	225.572147	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H+Na"	23.996494
"1062613"	150.71719	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2H+Na"	25.00377
"1267572"	460.181286	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+CH3OH+H"	33.033486
"381778"	893.258758	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+K"	38.963158
"741324"	1320.406558	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+K"	38.963158
"1546293"	466.110958	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+K"	38.963158
"305654"	447.133017	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+H+K"	39.970434
"697711"	660.706917	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+H+K"	39.970434
"1459915"	233.559117	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H+K"	39.970434
"249976"	896.329426	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+ACN+H"	42.033826
"1224750"	469.181626	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+ACN+H"	42.033826
"1208999"	235.094451	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+ACN+2H"	43.041102
"202593"	899.26676	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+2Na-H"	44.97116
"642882"	1326.41456	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+2Na-H"	44.97116
"1140311"	472.11896	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2Na-H"	44.97116
"182508"	450.137018	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+2Na"	45.978436
"619150"	663.710918	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+2Na"	45.978436
"1123384"	236.563118	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2Na"	45.978436
"1405815"	158.044504	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H+2Na"	46.985712
"1435743"	474.160546	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H+HCOOH"	47.012746
"234194"	455.17004	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+3H2O+2H"	56.04448
"1521162"	488.21259	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+IsoProp+H"	61.06479
"422686"	458.123988	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+Na+K"	61.952376
"785536"	671.697888	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+Na+K"	61.952376
"1680375"	244.550088	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Na+K"	61.952376
"266163"	918.311368	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+ACN+Na"	64.015768
"1240216"	491.163568	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+ACN+Na"	64.015768
"1728003"	491.187093	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+NH4+HCOOH"	64.039293
"1190555"	165.371818	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+3Na"	68.967654
"1664109"	496.142488	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Na+HCOOH"	68.994688
"169511"	931.21464	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+2K-H"	76.91904
"607978"	1358.36244	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+2K-H"	76.91904
"1085198"	504.06684	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2K-H"	76.91904
"144932"	466.110958	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"2M+2K"	77.926316
"587774"	679.684858	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"3M+2K"	77.926316
"1076660"	252.537058	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2K"	77.926316
"1104397"	506.081392	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2K+H"	78.933592
"1345160"	506.169007	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+DMSO+H"	79.021207
"1015878"	510.208176	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2ACN+H"	83.060376
"1530720"	511.201808	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+IsoProp+Na+H"	84.054008
"1000451"	255.607726	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+2ACN+2H"	84.067652
"1594954"	512.116428	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+K+HCOOH"	84.968628
"1423894"	542.147938	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+H+CF3COOH"	115.000138
"1160742"	276.121001	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+3ACN+2H"	125.094202
"1711386"	559.174485	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+NH4+CF3COOH"	132.026685
"1647764"	564.12988	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+Na+CF3COOH"	136.98208
"1585963"	580.10382	"C08335"	"Lucumin;Benzeneacetonitrilealpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-(R)-;Mandelonitrile primeveroside"	"C19H25NO10"	"427.1478"	"M+K+CF3COOH"	152.95602
"802233"	423.1741	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M"	0
"980020"	404.15571	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-H2O-H"	-19.01839
"69357"	281.108790666667	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M-3H"	-3.021828
"513290"	422.166824	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M-3H"	-3.021828
"885625"	140.050757333333	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-3H"	-3.021828
"6387"	422.166824	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M-2H"	-2.014552
"450325"	633.753874	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M-2H"	-2.014552
"832353"	210.579774	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-2H"	-2.014552
"94090"	845.340924	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M-H"	-1.007276
"534174"	1268.515024	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M-H"	-1.007276
"909376"	422.166824	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-H"	-1.007276
"60225"	862.367471	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M-2H+NH4"	16.019271
"501370"	1285.541571	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M-2H+NH4"	16.019271
"871759"	439.193371	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-2H+NH4"	16.019271
"42939"	867.322866	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M-2H+Na"	20.974666
"477033"	1290.496966	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M-2H+Na"	20.974666
"854836"	444.148766	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-2H+Na"	20.974666
"1628746"	444.148766	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Na-2H"	20.974666
"107220"	440.155163	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M-H+Cl"	33.962126
"547999"	651.742213	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M-H+Cl"	33.962126
"931798"	228.568113	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-H+Cl"	33.962126
"275821"	881.317602	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+Cl"	34.969402
"675128"	1304.491702	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+Cl"	34.969402
"1286111"	458.143502	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Cl"	34.969402
"29397"	883.296806	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M-2H+K"	36.948606
"469322"	1306.470906	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M-2H+K"	36.948606
"842751"	460.122706	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-2H+K"	36.948606
"1562957"	460.122706	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+K-2H"	36.948606
"954485"	468.172294	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-H+HCOOH"	44.998194
"375252"	891.346401	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+HCOOH-H"	44.998201
"356584"	905.362051	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+Hac-H"	59.013851
"1505788"	482.187951	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Hac-H"	59.013851
"970043"	490.154251	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-H+NaCOOH"	66.980151
"125032"	458.143502	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+2Cl"	69.938804
"564959"	669.730552	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+2Cl"	69.938804
"1036994"	246.556452	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2Cl"	69.938804
"1256981"	502.092985	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Br"	78.918885
"1319184"	504.148972	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Cl+HCOOH"	80.974872
"1335492"	526.130929	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Cl+NaCOOH"	102.956829
"922268"	536.159686	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M-H+CF3COOH"	112.985586
"1302627"	572.136364	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Cl+CF3COOH"	148.962264
"1381881"	388.161424	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H-2H2O"	-35.012676
"1395002"	406.1714	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H-H2O"	-17.0027
"298092"	847.355476	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+H"	1.007276
"689297"	1270.529576	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+H"	1.007276
"1364555"	424.181376	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H"	1.007276
"137441"	424.181376	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+2H"	2.014552
"580163"	635.768426	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+2H"	2.014552
"1046906"	212.594326	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2H"	2.014552
"214444"	283.123342666667	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+3H"	3.021828
"655096"	424.181376	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+3H"	3.021828
"1164476"	142.065309333333	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+3H"	3.021828
"425565"	864.382023	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+NH4"	18.033823
"791298"	1287.556123	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+NH4"	18.033823
"1684349"	441.207923	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+NH4"	18.033823
"330437"	432.6946495	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+H+NH4"	19.041099
"725045"	644.2816995	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+H+NH4"	19.041099
"1477408"	221.1075995	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H+NH4"	19.041099
"394264"	869.337418	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+Na"	22.989218
"757445"	1292.511518	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+Na"	22.989218
"1607732"	446.163318	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Na"	22.989218
"321050"	435.172347	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+H+Na"	23.996494
"716749"	646.759397	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+H+Na"	23.996494
"1470571"	223.585297	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H+Na"	23.996494
"1061630"	149.392623333333	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2H+Na"	25.00377
"1266589"	456.207586	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+CH3OH+H"	33.033486
"381888"	885.311358	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+K"	38.963158
"741796"	1308.485458	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+K"	38.963158
"1546039"	462.137258	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+K"	38.963158
"303942"	443.159317	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+H+K"	39.970434
"705843"	654.746367	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+H+K"	39.970434
"1459297"	231.572267	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H+K"	39.970434
"250452"	888.382026	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+ACN+H"	42.033826
"1222795"	465.207926	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+ACN+H"	42.033826
"1208988"	233.107601	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+ACN+2H"	43.041102
"203313"	891.31936	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+2Na-H"	44.97116
"639833"	1314.49346	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+2Na-H"	44.97116
"1143337"	468.14526	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2Na-H"	44.97116
"181525"	446.163318	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+2Na"	45.978436
"619624"	657.750368	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+2Na"	45.978436
"1122765"	234.576268	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2Na"	45.978436
"1404466"	156.719937333333	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H+2Na"	46.985712
"1435852"	470.186846	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H+HCOOH"	47.012746
"234304"	451.19634	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+3H2O+2H"	56.04448
"1520179"	484.23889	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+IsoProp+H"	61.06479
"422796"	454.150288	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+Na+K"	61.952376
"784512"	665.737338	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+Na+K"	61.952376
"1679394"	242.563238	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Na+K"	61.952376
"265181"	910.363968	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+ACN+Na"	64.015768
"1239717"	487.189868	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+ACN+Na"	64.015768
"1727751"	487.213393	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+NH4+HCOOH"	64.039293
"1191761"	164.047251333333	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+3Na"	68.967654
"1663128"	492.168788	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Na+HCOOH"	68.994688
"168529"	923.26724	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+2K-H"	76.91904
"605900"	1346.44134	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+2K-H"	76.91904
"1087496"	500.09314	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2K-H"	76.91904
"145042"	462.137258	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"2M+2K"	77.926316
"583510"	673.724308	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"3M+2K"	77.926316
"1076770"	250.550208	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2K"	77.926316
"1101227"	502.107692	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2K+H"	78.933592
"1344176"	502.195307	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+DMSO+H"	79.021207
"1013801"	506.234476	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2ACN+H"	83.060376
"1533020"	507.228108	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+IsoProp+Na+H"	84.054008
"1003841"	253.620876	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+2ACN+2H"	84.067652
"1596158"	508.142728	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+K+HCOOH"	84.968628
"1427648"	538.174238	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+H+CF3COOH"	115.000138
"1160852"	274.134151	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+3ACN+2H"	125.094202
"1710403"	555.200785	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+NH4+CF3COOH"	132.026685
"1649776"	560.15618	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+Na+CF3COOH"	136.98208
"1586073"	576.13012	"C08336"	"Neolinustatin"	"C17H29NO11"	"423.1741"	"M+K+CF3COOH"	152.95602
"801462"	391.1478	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M"	0
"980130"	372.12941	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-H2O-H"	-19.01839
"72747"	259.757924	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M-3H"	-3.021828
"516680"	390.140524	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M-3H"	-3.021828
"884642"	129.375324	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-3H"	-3.021828
"5404"	390.140524	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M-2H"	-2.014552
"448249"	585.714424	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M-2H"	-2.014552
"831410"	194.566624	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-2H"	-2.014552
"93101"	781.288324	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M-H"	-1.007276
"533511"	1172.436124	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M-H"	-1.007276
"910460"	390.140524	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-H"	-1.007276
"62040"	798.314871	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M-2H+NH4"	16.019271
"500627"	1189.462671	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M-2H+NH4"	16.019271
"877337"	407.167071	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-2H+NH4"	16.019271
"43050"	803.270266	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M-2H+Na"	20.974666
"477143"	1194.418066	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M-2H+Na"	20.974666
"852758"	412.122466	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-2H+Na"	20.974666
"1632135"	412.122466	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Na-2H"	20.974666
"107572"	408.128863	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M-H+Cl"	33.962126
"547136"	603.702763	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M-H+Cl"	33.962126
"931908"	212.554963	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-H+Cl"	33.962126
"274838"	817.265002	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+Cl"	34.969402
"670538"	1208.412802	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+Cl"	34.969402
"1280754"	426.117202	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Cl"	34.969402
"25497"	819.244206	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M-2H+K"	36.948606
"467246"	1210.392006	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M-2H+K"	36.948606
"839581"	428.096406	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-2H+K"	36.948606
"1561974"	428.096406	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+K-2H"	36.948606
"953136"	436.145994	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-H+HCOOH"	44.998194
"372446"	827.293801	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+HCOOH-H"	44.998201
"356329"	841.309451	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+Hac-H"	59.013851
"1508081"	450.161651	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Hac-H"	59.013851
"973687"	458.127951	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-H+NaCOOH"	66.980151
"125387"	426.117202	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+2Cl"	69.938804
"565275"	621.691102	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+2Cl"	69.938804
"1036543"	230.543302	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2Cl"	69.938804
"1256243"	470.066685	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Br"	78.918885
"1318812"	472.122672	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Cl+HCOOH"	80.974872
"1334726"	494.104629	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Cl+NaCOOH"	102.956829
"926024"	504.133386	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M-H+CF3COOH"	112.985586
"1303463"	540.110064	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Cl+CF3COOH"	148.962264
"1381626"	356.135124	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H-2H2O"	-35.012676
"1396208"	374.1451	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H-H2O"	-17.0027
"293705"	783.302876	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+H"	1.007276
"691109"	1174.450676	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+H"	1.007276
"1365759"	392.155076	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H"	1.007276
"140838"	392.155076	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+2H"	2.014552
"580032"	587.728976	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+2H"	2.014552
"1048109"	196.581176	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2H"	2.014552
"214554"	261.772476	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+3H"	3.021828
"655570"	392.155076	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+3H"	3.021828
"1164583"	131.389876	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+3H"	3.021828
"425673"	800.329423	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+NH4"	18.033823
"789587"	1191.477223	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+NH4"	18.033823
"1684459"	409.181623	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+NH4"	18.033823
"332006"	400.6683495	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+H+NH4"	19.041099
"725159"	596.2422495	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+H+NH4"	19.041099
"1479704"	205.0944495	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H+NH4"	19.041099
"393770"	805.284818	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+Na"	22.989218
"759743"	1196.432618	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+Na"	22.989218
"1611122"	414.137018	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Na"	22.989218
"322253"	403.146047	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+H+Na"	23.996494
"717953"	598.719947	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+H+Na"	23.996494
"1473961"	207.572147	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H+Na"	23.996494
"1061742"	138.71719	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2H+Na"	25.00377
"1265606"	424.181286	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+CH3OH+H"	33.033486
"384187"	821.258758	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+K"	38.963158
"739717"	1212.406558	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+K"	38.963158
"1541409"	430.110958	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+K"	38.963158
"302594"	411.133017	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+H+K"	39.970434
"705225"	606.706917	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+H+K"	39.970434
"1457950"	215.559117	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H+K"	39.970434
"249468"	824.329426	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+ACN+H"	42.033826
"1223633"	433.181626	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+ACN+H"	42.033826
"1208613"	217.094451	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+ACN+2H"	43.041102
"203422"	827.26676	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+2Na-H"	44.97116
"641036"	1218.41456	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+2Na-H"	44.97116
"1143083"	436.11896	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2Na-H"	44.97116
"177623"	414.137018	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+2Na"	45.978436
"617914"	609.710918	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+2Na"	45.978436
"1122512"	218.563118	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2Na"	45.978436
"1404941"	146.044504	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H+2Na"	46.985712
"1434869"	438.160546	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H+HCOOH"	47.012746
"233686"	419.17004	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+3H2O+2H"	56.04448
"1520289"	452.21259	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+IsoProp+H"	61.06479
"422543"	422.123988	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+Na+K"	61.952376
"784991"	617.697888	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+Na+K"	61.952376
"1678412"	226.550088	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Na+K"	61.952376
"265297"	846.311368	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+ACN+Na"	64.015768
"1239948"	455.163568	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+ACN+Na"	64.015768
"1726157"	455.187093	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+NH4+HCOOH"	64.039293
"1191145"	153.371818	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+3Na"	68.967654
"1662504"	460.142488	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Na+HCOOH"	68.994688
"168638"	859.21464	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+2K-H"	76.91904
"606009"	1250.36244	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+2K-H"	76.91904
"1094897"	468.06684	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2K-H"	76.91904
"145152"	430.110958	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"2M+2K"	77.926316
"586900"	625.684858	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"3M+2K"	77.926316
"1073600"	234.537058	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2K"	77.926316
"1100365"	470.081392	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2K+H"	78.933592
"1344287"	470.169007	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+DMSO+H"	79.021207
"1011723"	474.208176	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2ACN+H"	83.060376
"1539327"	475.201808	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+IsoProp+Na+H"	84.054008
"1003830"	237.607726	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+2ACN+2H"	84.067652
"1594081"	476.116428	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+K+HCOOH"	84.968628
"1425207"	506.147938	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+H+CF3COOH"	115.000138
"1159869"	258.121001	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+3ACN+2H"	125.094202
"1709420"	523.174485	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+NH4+CF3COOH"	132.026685
"1649848"	528.12988	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+Na+CF3COOH"	136.98208
"1586183"	544.10382	"C08337"	"Proacaciberin"	"C16H25NO10"	"391.1478"	"M+K+CF3COOH"	152.95602
"803426"	259.1056	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M"	0
"983520"	240.08721	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-H2O-H"	-19.01839
"66294"	171.729790666667	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M-3H"	-3.021828
"506949"	258.098324	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M-3H"	-3.021828
"888032"	85.3612573333333	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-3H"	-3.021828
"5514"	258.098324	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M-2H"	-2.014552
"449452"	387.651124	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M-2H"	-2.014552
"832208"	128.545524	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-2H"	-2.014552
"91630"	517.203924	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M-H"	-1.007276
"532892"	776.309524	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M-H"	-1.007276
"911060"	258.098324	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-H"	-1.007276
"61906"	534.230471	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M-2H+NH4"	16.019271
"499645"	793.336071	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M-2H+NH4"	16.019271
"871981"	275.124871	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-2H+NH4"	16.019271
"45347"	539.185866	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M-2H+Na"	20.974666
"477253"	798.291466	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M-2H+Na"	20.974666
"855056"	280.080266	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-2H+Na"	20.974666
"1632855"	280.080266	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Na-2H"	20.974666
"106596"	276.086663	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M-H+Cl"	33.962126
"547253"	405.639463	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M-H+Cl"	33.962126
"934204"	146.533863	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-H+Cl"	33.962126
"277134"	553.180602	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+Cl"	34.969402
"672835"	812.286202	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+Cl"	34.969402
"1284142"	294.075002	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Cl"	34.969402
"27795"	555.159806	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M-2H+K"	36.948606
"465170"	814.265406	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M-2H+K"	36.948606
"842970"	296.054206	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-2H+K"	36.948606
"1567918"	296.054206	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+K-2H"	36.948606
"956897"	304.103794	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-H+HCOOH"	44.998194
"372924"	563.209401	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+HCOOH-H"	44.998201
"360088"	577.225051	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+Hac-H"	59.013851
"1506737"	318.119451	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Hac-H"	59.013851
"974135"	326.085751	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-H+NaCOOH"	66.980151
"121730"	294.075002	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+2Cl"	69.938804
"565303"	423.627802	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+2Cl"	69.938804
"1036286"	164.522202	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2Cl"	69.938804
"1256839"	338.024485	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Br"	78.918885
"1319041"	340.080472	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Cl+HCOOH"	80.974872
"1335081"	362.062429	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Cl+NaCOOH"	102.956829
"927027"	372.091186	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M-H+CF3COOH"	112.985586
"1302847"	408.067864	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Cl+CF3COOH"	148.962264
"1381373"	224.092924	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H-2H2O"	-35.012676
"1395954"	242.1029	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H-H2O"	-17.0027
"298151"	519.218476	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+H"	1.007276
"690612"	778.324076	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+H"	1.007276
"1366234"	260.112876	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H"	1.007276
"140215"	260.112876	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+2H"	2.014552
"577226"	389.665676	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+2H"	2.014552
"1050407"	130.560076	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2H"	2.014552
"213934"	173.744342666667	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+3H"	3.021828
"655683"	260.112876	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+3H"	3.021828
"1170532"	87.3758093333333	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+3H"	3.021828
"435989"	536.245023	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+NH4"	18.033823
"787509"	795.350623	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+NH4"	18.033823
"1684564"	277.139423	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+NH4"	18.033823
"333574"	268.6261495	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+H+NH4"	19.041099
"726362"	398.1789495	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+H+NH4"	19.041099
"1478721"	139.0733495	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H+NH4"	19.041099
"393756"	541.200418	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+Na"	22.989218
"754994"	800.306018	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+Na"	22.989218
"1611235"	282.094818	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Na"	22.989218
"321270"	271.103847	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+H+Na"	23.996494
"718063"	400.656647	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+H+Na"	23.996494
"1474071"	141.551047	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H+Na"	23.996494
"1062945"	94.7031233333333	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2H+Na"	25.00377
"1267904"	292.139086	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+CH3OH+H"	33.033486
"381381"	557.174358	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+K"	38.963158
"740192"	816.279958	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+K"	38.963158
"1540127"	298.068758	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+K"	38.963158
"300882"	279.090817	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+H+K"	39.970434
"696950"	408.643617	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+H+K"	39.970434
"1455145"	149.538017	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H+K"	39.970434
"246661"	560.245026	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+ACN+H"	42.033826
"1221920"	301.139426	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+ACN+H"	42.033826
"1207990"	151.073351	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+ACN+2H"	43.041102
"202927"	563.18236	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+2Na-H"	44.97116
"641512"	822.28796	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+2Na-H"	44.97116
"1141737"	304.07676	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2Na-H"	44.97116
"180653"	282.094818	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+2Na"	45.978436
"620212"	411.647618	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+2Na"	45.978436
"1126998"	152.542018	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2Na"	45.978436
"1405052"	102.030437333333	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H+2Na"	46.985712
"1434979"	306.118346	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H+HCOOH"	47.012746
"235022"	287.12784	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+3H2O+2H"	56.04448
"1520399"	320.17039	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+IsoProp+H"	61.06479
"422652"	290.081788	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+Na+K"	61.952376
"784615"	419.634588	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+Na+K"	61.952376
"1677793"	160.528988	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Na+K"	61.952376
"264677"	582.226968	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+ACN+Na"	64.015768
"1237750"	323.121368	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+ACN+Na"	64.015768
"1726997"	323.144893	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+NH4+HCOOH"	64.039293
"1192353"	109.357751333333	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+3Na"	68.967654
"1663947"	328.100288	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Na+HCOOH"	68.994688
"169477"	595.13024	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+2K-H"	76.91904
"606120"	854.23584	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+2K-H"	76.91904
"1093914"	336.02464	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2K-H"	76.91904
"146356"	298.068758	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"2M+2K"	77.926316
"587010"	427.621558	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"3M+2K"	77.926316
"1078084"	168.515958	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2K"	77.926316
"1105823"	338.039192	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2K+H"	78.933592
"1343304"	338.126807	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+DMSO+H"	79.021207
"1012924"	342.165976	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2ACN+H"	83.060376
"1529957"	343.159608	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+IsoProp+Na+H"	84.054008
"1005034"	171.586626	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+2ACN+2H"	84.067652
"1594191"	344.074228	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+K+HCOOH"	84.968628
"1427505"	374.105738	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+H+CF3COOH"	115.000138
"1160710"	192.099901	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+3ACN+2H"	125.094202
"1710624"	391.132285	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+NH4+CF3COOH"	132.026685
"1649836"	396.08768	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+Na+CF3COOH"	136.98208
"1583013"	412.06162	"C08338"	"Proacacipetalin;3-Butenenitrile 2-(beta-D-glucopyranosyloxy)-3-methyl- (S)-"	"C11H17NO6"	"259.1056"	"M+K+CF3COOH"	152.95602
"801992"	473.1533	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M"	0
"983630"	454.13491	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-H2O-H"	-19.01839
"65310"	314.428257333333	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M-3H"	-3.021828
"507059"	472.146024	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M-3H"	-3.021828
"881943"	156.710490666667	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-3H"	-3.021828
"3066"	472.146024	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M-2H"	-2.014552
"451746"	708.722674	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M-2H"	-2.014552
"832357"	235.569374	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-2H"	-2.014552
"93199"	945.299324	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M-H"	-1.007276
"532516"	1418.452624	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M-H"	-1.007276
"910684"	472.146024	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-H"	-1.007276
"62302"	962.325871	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M-2H+NH4"	16.019271
"501458"	1435.479171	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M-2H+NH4"	16.019271
"876463"	489.172571	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-2H+NH4"	16.019271
"44726"	967.281266	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M-2H+Na"	20.974666
"477363"	1440.434566	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M-2H+Na"	20.974666
"855166"	494.127966	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-2H+Na"	20.974666
"1632356"	494.127966	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Na-2H"	20.974666
"106706"	490.134363	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M-H+Cl"	33.962126
"548090"	726.711013	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M-H+Cl"	33.962126
"941604"	253.557713	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-H+Cl"	33.962126
"275059"	981.276002	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+Cl"	34.969402
"670760"	1454.429302	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+Cl"	34.969402
"1286808"	508.122702	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Cl"	34.969402
"29730"	983.255206	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M-2H+K"	36.948606
"469655"	1456.408506	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M-2H+K"	36.948606
"846727"	510.101906	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-2H+K"	36.948606
"1569852"	510.101906	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+K-2H"	36.948606
"957371"	518.151494	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-H+HCOOH"	44.998194
"375221"	991.304801	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+HCOOH-H"	44.998201
"359835"	1005.320451	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+Hac-H"	59.013851
"1507215"	532.167151	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Hac-H"	59.013851
"973295"	540.133451	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-H+NaCOOH"	66.980151
"124025"	508.122702	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+2Cl"	69.938804
"565616"	744.699352	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+2Cl"	69.938804
"1036276"	271.546052	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2Cl"	69.938804
"1257039"	552.072185	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Br"	78.918885
"1319841"	554.128172	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Cl+HCOOH"	80.974872
"1335188"	576.110129	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Cl+NaCOOH"	102.956829
"926735"	586.138886	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M-H+CF3COOH"	112.985586
"1304136"	622.115564	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Cl+CF3COOH"	148.962264
"1382659"	438.140624	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H-2H2O"	-35.012676
"1398213"	456.1506	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H-H2O"	-17.0027
"297938"	947.313876	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+H"	1.007276
"690358"	1420.467176	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+H"	1.007276
"1365980"	474.160576	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H"	1.007276
"139960"	474.160576	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+2H"	2.014552
"576239"	710.737226	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+2H"	2.014552
"1047969"	237.583926	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2H"	2.014552
"214050"	316.442809333333	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+3H"	3.021828
"656524"	474.160576	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+3H"	3.021828
"1173920"	158.725042666667	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+3H"	3.021828
"437193"	964.340423	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+NH4"	18.033823
"789443"	1437.493723	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+NH4"	18.033823
"1682122"	491.187123	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+NH4"	18.033823
"332954"	482.6738495	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+H+NH4"	19.041099
"724645"	719.2504995	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+H+NH4"	19.041099
"1477738"	246.0971995	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H+NH4"	19.041099
"392958"	969.295818	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+Na"	22.989218
"757414"	1442.449118	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+Na"	22.989218
"1611346"	496.142518	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Na"	22.989218
"320288"	485.151547	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+H+Na"	23.996494
"712709"	721.728197	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+H+Na"	23.996494
"1467623"	248.574897	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H+Na"	23.996494
"1059776"	166.052356666667	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2H+Na"	25.00377
"1265828"	506.186786	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+CH3OH+H"	33.033486
"381127"	985.269758	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+K"	38.963158
"739567"	1458.423058	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+K"	38.963158
"1541627"	512.116458	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+K"	38.963158
"300990"	493.138517	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+H+K"	39.970434
"694871"	729.715167	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+H+K"	39.970434
"1455250"	256.561867	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H+K"	39.970434
"242758"	988.340426	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+ACN+H"	42.033826
"1223121"	515.187126	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+ACN+H"	42.033826
"1208097"	258.097201	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+ACN+2H"	43.041102
"203851"	991.27776	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+2Na-H"	44.97116
"638342"	1464.43106	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+2Na-H"	44.97116
"1139659"	518.12446	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2Na-H"	44.97116
"177481"	496.142518	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+2Na"	45.978436
"615947"	732.719168	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+2Na"	45.978436
"1118360"	259.565868	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2Na"	45.978436
"1405161"	173.379670666667	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H+2Na"	46.985712
"1432903"	520.166046	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H+HCOOH"	47.012746
"235413"	501.17554	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+3H2O+2H"	56.04448
"1520509"	534.21809	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+IsoProp+H"	61.06479
"423734"	504.129488	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+Na+K"	61.952376
"784968"	740.706138	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+Na+K"	61.952376
"1680090"	267.552838	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Na+K"	61.952376
"266609"	1010.322368	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+ACN+Na"	64.015768
"1240168"	537.169068	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+ACN+Na"	64.015768
"1727352"	537.192593	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+NH4+HCOOH"	64.039293
"1192828"	180.706984666667	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+3Na"	68.967654
"1665274"	542.147988	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Na+HCOOH"	68.994688
"171776"	1023.22564	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+2K-H"	76.91904
"609512"	1496.37894	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+2K-H"	76.91904
"1095117"	550.07234	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2K-H"	76.91904
"145372"	512.116458	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"2M+2K"	77.926316
"591494"	748.693108	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"3M+2K"	77.926316
"1081474"	275.539808	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2K"	77.926316
"1107026"	552.086892	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2K+H"	78.933592
"1344507"	552.174507	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+DMSO+H"	79.021207
"1013034"	556.213676	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2ACN+H"	83.060376
"1531162"	557.207308	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+IsoProp+Na+H"	84.054008
"1005148"	278.610476	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+2ACN+2H"	84.067652
"1597581"	558.121928	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+K+HCOOH"	84.968628
"1429317"	588.153438	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+H+CF3COOH"	115.000138
"1160818"	299.123751	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+3ACN+2H"	125.094202
"1712435"	605.179985	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+NH4+CF3COOH"	132.026685
"1649293"	610.13538	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+Na+CF3COOH"	136.98208
"1583123"	626.10932	"C08339"	"Proteacin"	"C20H27NO12"	"473.1533"	"M+K+CF3COOH"	152.95602
"805832"	275.1005	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M"	0
"983740"	256.08211	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-H2O-H"	-19.01839
"66513"	182.393057333333	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M-3H"	-3.021828
"508262"	274.093224	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M-3H"	-3.021828
"882783"	90.6928906666667	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-3H"	-3.021828
"2086"	274.093224	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M-2H"	-2.014552
"450762"	411.643474	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M-2H"	-2.014552
"832555"	136.542974	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-2H"	-2.014552
"93677"	549.193724	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M-H"	-1.007276
"534131"	824.294224	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M-H"	-1.007276
"911324"	274.093224	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-H"	-1.007276
"61394"	566.220271	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M-2H+NH4"	16.019271
"501569"	841.320771	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M-2H+NH4"	16.019271
"879532"	291.119771	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-2H+NH4"	16.019271
"46866"	571.175666	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M-2H+Na"	20.974666
"477473"	846.276166	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M-2H+Na"	20.974666
"855276"	296.075166	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-2H+Na"	20.974666
"1625904"	296.075166	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Na-2H"	20.974666
"107909"	292.081563	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M-H+Cl"	33.962126
"549954"	429.631813	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M-H+Cl"	33.962126
"942748"	154.531313	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-H+Cl"	33.962126
"280636"	585.170402	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+Cl"	34.969402
"672693"	860.270902	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+Cl"	34.969402
"1285459"	310.069902	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Cl"	34.969402
"30084"	587.149606	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M-2H+K"	36.948606
"470496"	862.250106	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M-2H+K"	36.948606
"847565"	312.049106	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-2H+K"	36.948606
"1569964"	312.049106	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+K-2H"	36.948606
"958254"	320.098694	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-H+HCOOH"	44.998194
"376384"	595.199201	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+HCOOH-H"	44.998201
"359580"	609.214851	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+Hac-H"	59.013851
"1508352"	334.114351	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Hac-H"	59.013851
"973976"	342.080651	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-H+NaCOOH"	66.980151
"124948"	310.069902	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+2Cl"	69.938804
"565612"	447.620152	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+2Cl"	69.938804
"1037054"	172.519652	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2Cl"	69.938804
"1256965"	354.019385	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Br"	78.918885
"1319769"	356.075372	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Cl+HCOOH"	80.974872
"1334568"	378.057329	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Cl+NaCOOH"	102.956829
"927025"	388.086086	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M-H+CF3COOH"	112.985586
"1304100"	424.062764	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Cl+CF3COOH"	148.962264
"1382731"	240.087824	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H-2H2O"	-35.012676
"1398370"	258.0978	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H-H2O"	-17.0027
"298547"	551.208276	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+H"	1.007276
"690476"	826.308776	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+H"	1.007276
"1367015"	276.107776	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H"	1.007276
"140071"	276.107776	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+2H"	2.014552
"578537"	413.658026	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+2H"	2.014552
"1050632"	138.557526	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2H"	2.014552
"215982"	184.407609333333	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+3H"	3.021828
"656999"	276.107776	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+3H"	3.021828
"1174031"	92.7074426666667	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+3H"	3.021828
"439004"	568.234823	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+NH4"	18.033823
"795019"	843.335323	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+NH4"	18.033823
"1683331"	293.134323	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+NH4"	18.033823
"333430"	284.6210495	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+H+NH4"	19.041099
"725486"	422.1712995	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+H+NH4"	19.041099
"1481129"	147.0707995	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H+NH4"	19.041099
"396892"	573.190218	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+Na"	22.989218
"761170"	848.290718	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+Na"	22.989218
"1610363"	298.089718	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Na"	22.989218
"323677"	287.098747	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+H+Na"	23.996494
"715006"	424.648997	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+H+Na"	23.996494
"1467735"	149.548497	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H+Na"	23.996494
"1064259"	100.034756666667	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2H+Na"	25.00377
"1267031"	308.133986	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+CH3OH+H"	33.033486
"380144"	589.164158	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+K"	38.963158
"741871"	864.264658	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+K"	38.963158
"1543561"	314.063658	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+K"	38.963158
"305840"	295.085717	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+H+K"	39.970434
"696075"	432.635967	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+H+K"	39.970434
"1454269"	157.535467	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H+K"	39.970434
"247971"	592.234826	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+ACN+H"	42.033826
"1222138"	317.134326	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+ACN+H"	42.033826
"1208207"	159.070801	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+ACN+2H"	43.041102
"203266"	595.17216	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+2Na-H"	44.97116
"639545"	870.27266	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+2Na-H"	44.97116
"1141592"	320.07166	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2Na-H"	44.97116
"179778"	298.089718	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+2Na"	45.978436
"616421"	435.639968	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+2Na"	45.978436
"1121749"	160.539468	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2Na"	45.978436
"1405273"	107.362070666667	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H+2Na"	46.985712
"1436294"	322.113246	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H+HCOOH"	47.012746
"235490"	303.12274	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+3H2O+2H"	56.04448
"1523414"	336.16529	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+IsoProp+H"	61.06479
"424239"	306.076688	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+Na+K"	61.952376
"784593"	443.626938	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+Na+K"	61.952376
"1680564"	168.526438	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Na+K"	61.952376
"266356"	614.216768	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+ACN+Na"	64.015768
"1241129"	339.116268	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+ACN+Na"	64.015768
"1728273"	339.139793	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+NH4+HCOOH"	64.039293
"1193423"	114.689384666667	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+3Na"	68.967654
"1665018"	344.095188	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Na+HCOOH"	68.994688
"172131"	627.12004	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+2K-H"	76.91904
"612300"	902.22054	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+2K-H"	76.91904
"1099690"	352.01954	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2K-H"	76.91904
"149856"	314.063658	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"2M+2K"	77.926316
"587229"	451.613908	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"3M+2K"	77.926316
"1083408"	176.513408	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2K"	77.926316
"1107138"	354.034092	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2K+H"	78.933592
"1351188"	354.121707	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+DMSO+H"	79.021207
"1015333"	358.160876	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2ACN+H"	83.060376
"1532366"	359.154508	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+IsoProp+Na+H"	84.054008
"1004650"	179.584076	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+2ACN+2H"	84.067652
"1598784"	360.069128	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+K+HCOOH"	84.968628
"1429426"	390.100638	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+H+CF3COOH"	115.000138
"1162145"	200.097351	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+3ACN+2H"	125.094202
"1712675"	407.127185	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+NH4+CF3COOH"	132.026685
"1646487"	412.08258	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+Na+CF3COOH"	136.98208
"1586513"	428.05652	"C08340"	"Sarmentosin;2-Butenenitrile4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)- (E)-"	"C11H17NO7"	"275.1005"	"M+K+CF3COOH"	152.95602
"801662"	291.0954	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M"	0
"980570"	272.07701	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-H2O-H"	-19.01839
"64437"	193.056324	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M-3H"	-3.021828
"503387"	290.088124	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M-3H"	-3.021828
"881800"	96.024524	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-3H"	-3.021828
"860"	290.088124	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M-2H"	-2.014552
"447592"	435.635824	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M-2H"	-2.014552
"828682"	144.540424	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-2H"	-2.014552
"92812"	581.183524	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M-H"	-1.007276
"534199"	872.278924	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M-H"	-1.007276
"911146"	290.088124	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-H"	-1.007276
"57495"	598.210071	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M-2H+NH4"	16.019271
"500948"	889.305471	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M-2H+NH4"	16.019271
"878748"	307.114671	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-2H+NH4"	16.019271
"43489"	603.165466	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M-2H+Na"	20.974666
"474303"	894.260866	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M-2H+Na"	20.974666
"861583"	312.070066	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-2H+Na"	20.974666
"1626014"	312.070066	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Na-2H"	20.974666
"106558"	308.076463	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M-H+Cl"	33.962126
"549861"	453.624163	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M-H+Cl"	33.962126
"942642"	162.528763	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-H+Cl"	33.962126
"277468"	617.160202	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+Cl"	34.969402
"672075"	908.255602	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+Cl"	34.969402
"1286665"	326.064802	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Cl"	34.969402
"24848"	619.139406	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M-2H+K"	36.948606
"464407"	910.234806	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M-2H+K"	36.948606
"845860"	328.044006	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-2H+K"	36.948606
"1569710"	328.044006	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+K-2H"	36.948606
"956863"	336.093594	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-H+HCOOH"	44.998194
"373617"	627.189001	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+HCOOH-H"	44.998201
"357866"	641.204651	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+Hac-H"	59.013851
"1503052"	350.109251	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Hac-H"	59.013851
"966583"	358.075551	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-H+NaCOOH"	66.980151
"123882"	326.064802	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+2Cl"	69.938804
"565261"	471.612502	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+2Cl"	69.938804
"1032598"	180.517102	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2Cl"	69.938804
"1256881"	370.014285	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Br"	78.918885
"1319002"	372.070272	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Cl+HCOOH"	80.974872
"1335043"	394.052229	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Cl+NaCOOH"	102.956829
"925007"	404.080986	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M-H+CF3COOH"	112.985586
"1300621"	440.057664	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Cl+CF3COOH"	148.962264
"1370398"	256.082724	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H-2H2O"	-35.012676
"1393363"	274.0927	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H-H2O"	-17.0027
"295236"	583.198076	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+H"	1.007276
"691258"	874.293476	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+H"	1.007276
"1366687"	292.102676	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H"	1.007276
"138724"	292.102676	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+2H"	2.014552
"578647"	437.650376	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+2H"	2.014552
"1047462"	146.554976	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2H"	2.014552
"214637"	195.070876	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+3H"	3.021828
"653830"	292.102676	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+3H"	3.021828
"1168676"	98.039076	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+3H"	3.021828
"434134"	600.224623	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+NH4"	18.033823
"795131"	891.320023	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+NH4"	18.033823
"1681857"	309.129223	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+NH4"	18.033823
"331720"	300.6159495	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+H+NH4"	19.041099
"724141"	446.1636495	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+H+NH4"	19.041099
"1478929"	155.0682495	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H+NH4"	19.041099
"393235"	605.180018	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+Na"	22.989218
"758000"	896.275418	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+Na"	22.989218
"1608285"	314.084618	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Na"	22.989218
"321601"	303.093647	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+H+Na"	23.996494
"715115"	448.641347	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+H+Na"	23.996494
"1472216"	157.545947	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H+Na"	23.996494
"1058899"	105.36639	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2H+Na"	25.00377
"1267506"	324.128886	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+CH3OH+H"	33.033486
"381344"	621.153958	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+K"	38.963158
"743443"	912.249358	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+K"	38.963158
"1545494"	330.058558	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+K"	38.963158
"308137"	311.080617	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+H+K"	39.970434
"698372"	456.628317	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+H+K"	39.970434
"1455472"	165.532917	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H+K"	39.970434
"242978"	624.224626	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+ACN+H"	42.033826
"1221154"	333.129226	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+ACN+H"	42.033826
"1203943"	167.068251	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+ACN+2H"	43.041102
"203255"	627.16196	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+2Na-H"	44.97116
"640748"	918.25736	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+2Na-H"	44.97116
"1140608"	336.06656	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2Na-H"	44.97116
"180981"	314.084618	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+2Na"	45.978436
"616167"	459.632318	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+2Na"	45.978436
"1117484"	168.536918	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2Na"	45.978436
"1405383"	112.693704	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H+2Na"	46.985712
"1435311"	338.108146	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H+HCOOH"	47.012746
"235619"	319.11764	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+3H2O+2H"	56.04448
"1522917"	352.16019	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+IsoProp+H"	61.06479
"424194"	322.071588	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+Na+K"	61.952376
"785025"	467.619288	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+Na+K"	61.952376
"1680671"	176.523888	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Na+K"	61.952376
"266342"	646.206568	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+ACN+Na"	64.015768
"1240872"	355.111168	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+ACN+Na"	64.015768
"1727325"	355.134693	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+NH4+HCOOH"	64.039293
"1192317"	120.021018	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+3Na"	68.967654
"1664033"	360.090088	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Na+HCOOH"	68.994688
"172802"	659.10984	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+2K-H"	76.91904
"612497"	950.20524	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+2K-H"	76.91904
"1099232"	368.01444	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2K-H"	76.91904
"151060"	330.058558	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"2M+2K"	77.926316
"593900"	475.606258	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"3M+2K"	77.926316
"1082788"	184.510858	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2K"	77.926316
"1108342"	370.028992	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2K+H"	78.933592
"1351021"	370.116607	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+DMSO+H"	79.021207
"1015443"	374.155776	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2ACN+H"	83.060376
"1533569"	375.149408	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+IsoProp+Na+H"	84.054008
"1003299"	187.581526	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+2ACN+2H"	84.067652
"1599987"	376.064028	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+K+HCOOH"	84.968628
"1427836"	406.095538	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+H+CF3COOH"	115.000138
"1161403"	208.094801	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+3ACN+2H"	125.094202
"1712043"	423.122085	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+NH4+CF3COOH"	132.026685
"1646597"	428.07748	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+Na+CF3COOH"	136.98208
"1586623"	444.05142	"C08341"	"Sarmentosin epoxide"	"C11H17NO8"	"291.0954"	"M+K+CF3COOH"	152.95602
"801758"	359.0852	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M"	0
"977400"	340.06681	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-H2O-H"	-19.01839
"66734"	238.382857333333	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M-3H"	-3.021828
"506292"	358.077924	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M-3H"	-3.021828
"881910"	118.687790666667	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-3H"	-3.021828
"2671"	358.077924	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M-2H"	-2.014552
"447702"	537.620524	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M-2H"	-2.014552
"823320"	178.535324	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-2H"	-2.014552
"93164"	717.163124	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M-H"	-1.007276
"533580"	1076.248324	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M-H"	-1.007276
"910529"	358.077924	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-H"	-1.007276
"59791"	734.189671	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M-2H+NH4"	16.019271
"501424"	1093.274871	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M-2H+NH4"	16.019271
"878374"	375.104471	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-2H+NH4"	16.019271
"45301"	739.145066	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M-2H+Na"	20.974666
"475141"	1098.230266	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M-2H+Na"	20.974666
"858777"	380.059866	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-2H+Na"	20.974666
"1626123"	380.059866	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Na-2H"	20.974666
"102652"	376.066263	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M-H+Cl"	33.962126
"544412"	555.608863	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M-H+Cl"	33.962126
"940840"	196.523663	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-H+Cl"	33.962126
"282069"	753.139802	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+Cl"	34.969402
"674493"	1112.225002	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+Cl"	34.969402
"1285678"	394.054602	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Cl"	34.969402
"28967"	755.119006	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M-2H+K"	36.948606
"468891"	1114.204206	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M-2H+K"	36.948606
"845966"	396.033806	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-2H+K"	36.948606
"1569817"	396.033806	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+K-2H"	36.948606
"957581"	404.083394	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-H+HCOOH"	44.998194
"374822"	763.168601	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+HCOOH-H"	44.998201
"358704"	777.184251	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+Hac-H"	59.013851
"1504987"	418.099051	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Hac-H"	59.013851
"970340"	426.065351	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-H+NaCOOH"	66.980151
"120712"	394.054602	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+2Cl"	69.938804
"565211"	573.597202	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+2Cl"	69.938804
"1034894"	214.512002	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2Cl"	69.938804
"1256546"	438.004085	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Br"	78.918885
"1319115"	440.060072	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Cl+HCOOH"	80.974872
"1335153"	462.042029	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Cl+NaCOOH"	102.956829
"926210"	472.070786	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M-H+CF3COOH"	112.985586
"1298908"	508.047464	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Cl+CF3COOH"	148.962264
"1372694"	324.072524	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H-2H2O"	-35.012676
"1385816"	342.0825	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H-H2O"	-17.0027
"284407"	719.177676	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+H"	1.007276
"680112"	1078.262876	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+H"	1.007276
"1365944"	360.092476	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H"	1.007276
"138102"	360.092476	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+2H"	2.014552
"577664"	539.635076	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+2H"	2.014552
"1046114"	180.549876	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2H"	2.014552
"215110"	240.397409333333	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+3H"	3.021828
"658676"	360.092476	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+3H"	3.021828
"1173158"	120.702342666667	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+3H"	3.021828
"434974"	736.204223	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+NH4"	18.033823
"796331"	1095.289423	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+NH4"	18.033823
"1682824"	377.119023	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+NH4"	18.033823
"336569"	368.6057495	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+H+NH4"	19.041099
"726075"	548.1483495	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+H+NH4"	19.041099
"1479894"	189.0631495	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H+NH4"	19.041099
"394929"	741.159618	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+Na"	22.989218
"757017"	1100.244818	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+Na"	22.989218
"1610584"	382.074418	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Na"	22.989218
"324991"	371.083447	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+H+Na"	23.996494
"716319"	550.626047	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+H+Na"	23.996494
"1471231"	191.540847	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H+Na"	23.996494
"1062291"	128.029656666667	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2H+Na"	25.00377
"1262875"	392.118686	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+CH3OH+H"	33.033486
"385829"	757.133558	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+K"	38.963158
"744647"	1116.218758	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+K"	38.963158
"1545605"	398.048358	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+K"	38.963158
"307154"	379.070417	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+H+K"	39.970434
"699576"	558.613017	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+H+K"	39.970434
"1454489"	199.527817	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H+K"	39.970434
"247099"	760.204226	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+ACN+H"	42.033826
"1221266"	401.119026	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+ACN+H"	42.033826
"1206607"	201.063151	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+ACN+2H"	43.041102
"202029"	763.14156	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+2Na-H"	44.97116
"641224"	1122.22676	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+2Na-H"	44.97116
"1142906"	404.05636	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2Na-H"	44.97116
"184373"	382.074418	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+2Na"	45.978436
"620652"	561.617018	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+2Na"	45.978436
"1120875"	202.531818	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2Na"	45.978436
"1406586"	135.356970666667	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H+2Na"	46.985712
"1435421"	406.097946	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H+HCOOH"	47.012746
"235214"	387.10744	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+3H2O+2H"	56.04448
"1521571"	420.14999	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+IsoProp+H"	61.06479
"422723"	390.061388	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+Na+K"	61.952376
"785053"	569.603988	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+Na+K"	61.952376
"1681256"	210.518788	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Na+K"	61.952376
"267119"	782.186168	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+ACN+Na"	64.015768
"1240497"	423.100968	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+ACN+Na"	64.015768
"1725249"	423.124493	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+NH4+HCOOH"	64.039293
"1191334"	142.684284666667	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+3Na"	68.967654
"1665509"	428.079888	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Na+HCOOH"	68.994688
"171985"	795.08944	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+2K-H"	76.91904
"612754"	1154.17464	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+2K-H"	76.91904
"1099218"	436.00424	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2K-H"	76.91904
"152265"	398.048358	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"2M+2K"	77.926316
"589637"	577.590958	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"3M+2K"	77.926316
"1084125"	218.505758	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2K"	77.926316
"1110640"	438.018792	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2K+H"	78.933592
"1349098"	438.106407	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+DMSO+H"	79.021207
"1016647"	442.145576	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2ACN+H"	83.060376
"1533680"	443.139208	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+IsoProp+Na+H"	84.054008
"1005474"	221.576426	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+2ACN+2H"	84.067652
"1600097"	444.053828	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+K+HCOOH"	84.968628
"1429039"	474.085338	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+H+CF3COOH"	115.000138
"1161878"	242.089701	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+3ACN+2H"	125.094202
"1712479"	491.111885	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+NH4+CF3COOH"	132.026685
"1646707"	496.06728	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+Na+CF3COOH"	136.98208
"1586733"	512.04122	"C08342"	"Triglochinin;2-Hexenedioic acid4-(cyano(beta-D-glucopyranosyloxy)methylene)- (EZ)-"	"C14H17NO10"	"359.0852"	"M+K+CF3COOH"	152.95602
"805069"	287.1005	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M"	0
"984070"	268.08211	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-H2O-H"	-19.01839
"69031"	190.393057333333	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M-3H"	-3.021828
"504943"	286.093224	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M-3H"	-3.021828
"882021"	94.6928906666667	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-3H"	-3.021828
"2781"	286.093224	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M-2H"	-2.014552
"447812"	429.643474	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M-2H"	-2.014552
"823430"	142.542974	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-2H"	-2.014552
"89984"	573.193724	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M-H"	-1.007276
"532716"	860.294224	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M-H"	-1.007276
"908442"	286.093224	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-H"	-1.007276
"59171"	590.220271	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M-2H+NH4"	16.019271
"491440"	877.320771	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M-2H+NH4"	16.019271
"869242"	303.119771	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-2H+NH4"	16.019271
"34955"	595.175666	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M-2H+Na"	20.974666
"477799"	882.276166	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M-2H+Na"	20.974666
"855607"	308.075166	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-2H+Na"	20.974666
"1620399"	308.075166	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Na-2H"	20.974666
"100575"	304.081563	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M-H+Cl"	33.962126
"545614"	447.631813	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M-H+Cl"	33.962126
"941923"	160.531313	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-H+Cl"	33.962126
"281329"	609.170402	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+Cl"	34.969402
"674481"	896.270902	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+Cl"	34.969402
"1287129"	322.069902	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Cl"	34.969402
"25068"	611.149606	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M-2H+K"	36.948606
"466815"	898.250106	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M-2H+K"	36.948606
"844619"	324.049106	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-2H+K"	36.948606
"1568106"	324.049106	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+K-2H"	36.948606
"954165"	332.098694	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-H+HCOOH"	44.998194
"374205"	619.199201	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+HCOOH-H"	44.998201
"356992"	633.214851	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+Hac-H"	59.013851
"1502551"	346.114351	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Hac-H"	59.013851
"970817"	354.080651	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-H+NaCOOH"	66.980151
"121915"	322.069902	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+2Cl"	69.938804
"562930"	465.620152	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+2Cl"	69.938804
"1035004"	178.519652	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2Cl"	69.938804
"1254954"	366.019385	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Br"	78.918885
"1313760"	368.075372	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Cl+HCOOH"	80.974872
"1333807"	390.057329	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Cl+NaCOOH"	102.956829
"926078"	400.086086	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M-H+CF3COOH"	112.985586
"1301205"	436.062764	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Cl+CF3COOH"	148.962264
"1376084"	252.087824	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H-2H2O"	-35.012676
"1388111"	270.0978	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H-H2O"	-17.0027
"284880"	575.208276	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+H"	1.007276
"680220"	862.308776	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+H"	1.007276
"1363504"	288.107776	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H"	1.007276
"136026"	288.107776	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+2H"	2.014552
"577774"	431.658026	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+2H"	2.014552
"1049504"	144.557526	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2H"	2.014552
"216678"	192.407609333333	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+3H"	3.021828
"659031"	288.107776	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+3H"	3.021828
"1171086"	96.7074426666667	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+3H"	3.021828
"435449"	592.234823	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+NH4"	18.033823
"795350"	879.335323	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+NH4"	18.033823
"1684028"	305.134323	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+NH4"	18.033823
"335586"	296.6210495	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+H+NH4"	19.041099
"726914"	440.1712995	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+H+NH4"	19.041099
"1480004"	153.0707995	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H+NH4"	19.041099
"395039"	597.190218	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+Na"	22.989218
"759315"	884.290718	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+Na"	22.989218
"1612880"	310.089718	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Na"	22.989218
"326194"	299.098747	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+H+Na"	23.996494
"716429"	442.648997	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+H+Na"	23.996494
"1472800"	155.548497	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H+Na"	23.996494
"1063494"	104.034756666667	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2H+Na"	25.00377
"1264078"	320.133986	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+CH3OH+H"	33.033486
"384846"	613.164158	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+K"	38.963158
"743663"	900.264658	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+K"	38.963158
"1545715"	326.063658	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+K"	38.963158
"308357"	307.085717	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+H+K"	39.970434
"698593"	450.635967	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+H+K"	39.970434
"1454598"	163.535467	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H+K"	39.970434
"248304"	616.234826	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+ACN+H"	42.033826
"1222469"	329.134326	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+ACN+H"	42.033826
"1208540"	165.070801	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+ACN+2H"	43.041102
"202749"	619.17216	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+2Na-H"	44.97116
"641334"	906.27266	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+2Na-H"	44.97116
"1144109"	332.07166	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2Na-H"	44.97116
"183389"	310.089718	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+2Na"	45.978436
"620762"	453.639968	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+2Na"	45.978436
"1123171"	166.539468	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2Na"	45.978436
"1406696"	111.362070666667	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H+2Na"	46.985712
"1434437"	334.113246	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H+HCOOH"	47.012746
"232522"	315.12274	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+3H2O+2H"	56.04448
"1520221"	348.16529	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+IsoProp+H"	61.06479
"421738"	318.076688	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+Na+K"	61.952376
"784799"	461.626938	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+Na+K"	61.952376
"1680529"	174.526438	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Na+K"	61.952376
"266322"	638.216768	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+ACN+Na"	64.015768
"1239027"	351.116268	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+ACN+Na"	64.015768
"1726088"	351.139793	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+NH4+HCOOH"	64.039293
"1191809"	118.689384666667	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+3Na"	68.967654
"1665514"	356.095188	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Na+HCOOH"	68.994688
"172581"	651.12004	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+2K-H"	76.91904
"611894"	938.22054	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+2K-H"	76.91904
"1099615"	364.01954	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2K-H"	76.91904
"156634"	326.063658	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"2M+2K"	77.926316
"589748"	469.613908	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"3M+2K"	77.926316
"1083866"	182.513408	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2K"	77.926316
"1110749"	366.034092	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2K+H"	78.933592
"1350665"	366.121707	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+DMSO+H"	79.021207
"1016759"	370.160876	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2ACN+H"	83.060376
"1535977"	371.154508	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+IsoProp+Na+H"	84.054008
"1004491"	185.584076	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+2ACN+2H"	84.067652
"1601301"	372.069128	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+K+HCOOH"	84.968628
"1429148"	402.100638	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+H+CF3COOH"	115.000138
"1162695"	206.097351	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+3ACN+2H"	125.094202
"1712427"	419.127185	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+NH4+CF3COOH"	132.026685
"1646817"	424.08258	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+Na+CF3COOH"	136.98208
"1586843"	440.05652	"C08344"	"Volkenin"	"C12H17NO7"	"287.1005"	"M+K+CF3COOH"	152.95602
"813927"	311.1005	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M"	0
"981993"	292.08211	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-H2O-H"	-19.01839
"66956"	206.393057333333	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M-3H"	-3.021828
"507609"	310.093224	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M-3H"	-3.021828
"882495"	102.692890666667	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-3H"	-3.021828
"6174"	310.093224	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M-2H"	-2.014552
"441360"	465.643474	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M-2H"	-2.014552
"824631"	154.542974	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-2H"	-2.014552
"94177"	621.193724	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M-H"	-1.007276
"534118"	932.294224	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M-H"	-1.007276
"909281"	310.093224	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-H"	-1.007276
"60376"	638.220271	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M-2H+NH4"	16.019271
"501882"	949.320771	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M-2H+NH4"	16.019271
"879442"	327.119771	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-2H+NH4"	16.019271
"40533"	643.175666	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M-2H+Na"	20.974666
"484469"	954.276166	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M-2H+Na"	20.974666
"855717"	332.075166	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-2H+Na"	20.974666
"1621967"	332.075166	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Na-2H"	20.974666
"97037"	328.081563	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M-H+Cl"	33.962126
"549130"	483.631813	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M-H+Cl"	33.962126
"942035"	172.531313	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-H+Cl"	33.962126
"280830"	657.170402	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+Cl"	34.969402
"674714"	968.270902	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+Cl"	34.969402
"1287724"	346.069902	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Cl"	34.969402
"29552"	659.149606	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M-2H+K"	36.948606
"469112"	970.250106	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M-2H+K"	36.948606
"844729"	348.049106	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-2H+K"	36.948606
"1566031"	348.049106	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+K-2H"	36.948606
"954639"	356.098694	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-H+HCOOH"	44.998194
"373951"	667.199201	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+HCOOH-H"	44.998201
"354916"	681.214851	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+Hac-H"	59.013851
"1504846"	370.114351	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Hac-H"	59.013851
"970198"	378.080651	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-H+NaCOOH"	66.980151
"122389"	346.069902	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+2Cl"	69.938804
"561946"	501.620152	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+2Cl"	69.938804
"1035723"	190.519652	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2Cl"	69.938804
"1256036"	390.019385	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Br"	78.918885
"1318607"	392.075372	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Cl+HCOOH"	80.974872
"1333916"	414.057329	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Cl+NaCOOH"	102.956829
"926675"	424.086086	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M-H+CF3COOH"	112.985586
"1300222"	460.062764	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Cl+CF3COOH"	148.962264
"1376194"	276.087824	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H-2H2O"	-35.012676
"1387128"	294.0978	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H-H2O"	-17.0027
"284627"	623.208276	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+H"	1.007276
"678143"	934.308776	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+H"	1.007276
"1363978"	312.107776	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H"	1.007276
"136135"	312.107776	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+2H"	2.014552
"574601"	467.658026	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+2H"	2.014552
"1048881"	156.557526	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2H"	2.014552
"215688"	208.407609333333	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+3H"	3.021828
"659141"	312.107776	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+3H"	3.021828
"1174110"	104.707442666667	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+3H"	3.021828
"439566"	640.234823	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+NH4"	18.033823
"795461"	951.335323	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+NH4"	18.033823
"1684138"	329.134323	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+NH4"	18.033823
"341165"	320.6210495	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+H+NH4"	19.041099
"732490"	476.1712995	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+H+NH4"	19.041099
"1484123"	165.0707995	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H+NH4"	19.041099
"399523"	645.190218	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+Na"	22.989218
"762706"	956.290718	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+Na"	22.989218
"1615541"	334.089718	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Na"	22.989218
"327398"	323.098747	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+H+Na"	23.996494
"719093"	478.648997	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+H+Na"	23.996494
"1475828"	167.548497	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H+Na"	23.996494
"1063240"	112.034756666667	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2H+Na"	25.00377
"1268562"	344.133986	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+CH3OH+H"	33.033486
"391882"	661.164158	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+K"	38.963158
"743773"	972.264658	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+K"	38.963158
"1545825"	350.063658	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+K"	38.963158
"306282"	331.085717	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+H+K"	39.970434
"697609"	486.635967	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+H+K"	39.970434
"1451428"	175.535467	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H+K"	39.970434
"248778"	664.234826	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+ACN+H"	42.033826
"1223308"	353.134326	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+ACN+H"	42.033826
"1208772"	177.070801	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+ACN+2H"	43.041102
"203225"	667.17216	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+2Na-H"	44.97116
"643758"	978.27266	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+2Na-H"	44.97116
"1146655"	356.07166	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2Na-H"	44.97116
"187510"	334.089718	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+2Na"	45.978436
"627432"	489.639968	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+2Na"	45.978436
"1123282"	178.539468	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2Na"	45.978436
"1407899"	119.362070666667	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H+2Na"	46.985712
"1433454"	358.113246	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H+HCOOH"	47.012746
"234457"	339.12274	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+3H2O+2H"	56.04448
"1520695"	372.16529	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+IsoProp+H"	61.06479
"417838"	342.076688	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+Na+K"	61.952376
"783205"	497.626938	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+Na+K"	61.952376
"1679182"	186.526438	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Na+K"	61.952376
"264244"	686.216768	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+ACN+Na"	64.015768
"1236948"	375.116268	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+ACN+Na"	64.015768
"1723646"	375.139793	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+NH4+HCOOH"	64.039293
"1190095"	126.689384666667	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+3Na"	68.967654
"1663639"	380.095188	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Na+HCOOH"	68.994688
"172206"	699.12004	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+2K-H"	76.91904
"611032"	1010.22054	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+2K-H"	76.91904
"1099684"	388.01954	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2K-H"	76.91904
"156703"	350.063658	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"2M+2K"	77.926316
"587671"	505.613908	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"3M+2K"	77.926316
"1084016"	194.513408	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2K"	77.926316
"1115281"	390.034092	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2K+H"	78.933592
"1351168"	390.121707	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+DMSO+H"	79.021207
"1021011"	394.160876	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2ACN+H"	83.060376
"1534993"	395.154508	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+IsoProp+Na+H"	84.054008
"1004357"	197.584076	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+2ACN+2H"	84.067652
"1601779"	396.069128	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+K+HCOOH"	84.968628
"1429382"	426.100638	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+H+CF3COOH"	115.000138
"1161365"	218.097351	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+3ACN+2H"	125.094202
"1711279"	443.127185	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+NH4+CF3COOH"	132.026685
"1648020"	448.08258	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+Na+CF3COOH"	136.98208
"1586953"	464.05652	"C08345"	"Zierin;Benzeneacetonitrile alpha-(beta-D-glucopyranosyloxy)-3-hydroxy- (S)"	"C14H17NO7"	"311.1005"	"M+K+CF3COOH"	152.95602
"801520"	150.0528	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M"	0
"981010"	131.03441	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"67066"	99.027924	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507719"	149.045524	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"882241"	49.010324	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"6284"	149.045524	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"443657"	224.071924	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"828021"	74.019124	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"93244"	299.098324	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"531835"	449.151124	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"909391"	149.045524	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"61822"	316.124871	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"502598"	466.177671	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"879899"	166.072071	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"43923"	321.080266	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"481299"	471.133066	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"855827"	171.027466	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1621346"	171.027466	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"97511"	167.033863	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"538170"	242.060263	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"936060"	92.007463	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"281061"	335.075002	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"674699"	485.127802	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1287912"	185.022202	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"30395"	337.054206	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"471249"	487.107006	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"844840"	187.001406	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1567234"	187.001406	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"954385"	195.050994	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"372239"	345.103801	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"356119"	359.119451	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1504956"	209.066651	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"970308"	217.032951	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"123592"	185.022202	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"563149"	260.048602	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1035225"	109.995802	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1255902"	228.971685	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1316895"	231.027672	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1333297"	253.009629	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"926055"	263.038386	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1300332"	299.015064	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1377397"	115.040124	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1387238"	133.0501	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"285830"	301.112876	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"679346"	451.165676	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1363724"	151.060076	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"136245"	151.060076	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"574711"	226.086476	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1044616"	76.033676	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"212518"	101.042476	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"657547"	151.060076	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1176039"	51.024876	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"438582"	318.139423	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"792291"	468.192223	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1688622"	168.086623	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"337994"	159.5733495	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"729321"	234.5997495	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1480953"	84.5469495	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"394893"	323.094818	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"761721"	473.147618	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1615286"	173.042018	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"326415"	162.051047	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"719931"	237.077447	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1473386"	87.024647	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1062986"	58.35219	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1268308"	183.086286	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"392599"	339.068758	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"746068"	489.121558	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1543747"	189.015958	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"301652"	170.038017	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"696623"	245.064417	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1450443"	95.011617	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"241961"	342.139426	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1221596"	192.086626	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1206938"	96.546951	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"201267"	345.07676	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"642648"	495.12956	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1146157"	195.02396	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"186888"	173.042018	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"624261"	248.068418	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1123392"	98.015618	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1405823"	65.679504	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1434657"	197.065546	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"234928"	178.07504	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1521169"	211.11759	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"420495"	181.028988	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"783676"	256.055388	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1673461"	106.002588	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"261074"	364.121368	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1237788"	214.068568	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1724849"	214.092093	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1189112"	73.006818	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1659376"	219.047488	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"171584"	377.02464	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"610170"	527.07744	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1098819"	226.97184	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"156122"	189.015958	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"585592"	264.042358	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1077761"	113.989558	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1114251"	228.986392	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1349903"	229.074007	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1020998"	233.113176	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1538382"	234.106808	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"1001550"	117.060226	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1598241"	235.021428	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1427545"	265.052938	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1160381"	137.573501	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1711024"	282.079485	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1645943"	287.03488	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1583783"	303.00882	"C08346"	"beta-D-Apiose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"802119"	134.0579	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M"	0
"984400"	115.03951	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-H2O-H"	-19.01839
"67176"	88.3646573333333	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M-3H"	-3.021828
"507829"	133.050624	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M-3H"	-3.021828
"882351"	43.6786906666667	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-3H"	-3.021828
"6394"	133.050624	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M-2H"	-2.014552
"443767"	200.079574	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M-2H"	-2.014552
"822663"	66.021674	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-2H"	-2.014552
"92382"	267.108524	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M-H"	-1.007276
"533038"	401.166424	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M-H"	-1.007276
"909380"	133.050624	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-H"	-1.007276
"61811"	284.135071	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M-2H+NH4"	16.019271
"501858"	418.192971	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M-2H+NH4"	16.019271
"878323"	150.077171	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-2H+NH4"	16.019271
"44033"	289.090466	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M-2H+Na"	20.974666
"481409"	423.148366	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M-2H+Na"	20.974666
"858855"	155.032566	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-2H+Na"	20.974666
"1628751"	155.032566	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Na-2H"	20.974666
"103092"	151.038963	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M-H+Cl"	33.962126
"537187"	218.067913	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M-H+Cl"	33.962126
"937266"	84.010013	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-H+Cl"	33.962126
"281292"	303.085202	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+Cl"	34.969402
"674445"	437.143102	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+Cl"	34.969402
"1287212"	169.027302	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Cl"	34.969402
"27578"	305.064406	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M-2H+K"	36.948606
"470795"	439.122306	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M-2H+K"	36.948606
"846773"	171.006506	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-2H+K"	36.948606
"1568439"	171.006506	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+K-2H"	36.948606
"954134"	179.056094	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-H+HCOOH"	44.998194
"372350"	313.114001	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+HCOOH-H"	44.998201
"354043"	327.129651	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+Hac-H"	59.013851
"1505067"	193.071751	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Hac-H"	59.013851
"970421"	201.038051	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-H+NaCOOH"	66.980151
"123702"	169.027302	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+2Cl"	69.938804
"562169"	236.056252	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+2Cl"	69.938804
"1033150"	101.998352	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2Cl"	69.938804
"1256622"	212.976785	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Br"	78.918885
"1317369"	215.032772	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Cl+HCOOH"	80.974872
"1333771"	237.014729	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Cl+NaCOOH"	102.956829
"926286"	247.043486	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M-H+CF3COOH"	112.985586
"1300442"	283.020164	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Cl+CF3COOH"	148.962264
"1379693"	99.045224	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H-2H2O"	-35.012676
"1392815"	117.0552	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H-H2O"	-17.0027
"284846"	269.123076	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+H"	1.007276
"679456"	403.180976	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+H"	1.007276
"1363834"	135.065176	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H"	1.007276
"136355"	135.065176	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+2H"	2.014552
"574821"	202.094126	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+2H"	2.014552
"1043633"	68.036226	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2H"	2.014552
"211535"	90.3792093333333	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+3H"	3.021828
"657656"	135.065176	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+3H"	3.021828
"1175786"	45.6932426666667	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+3H"	3.021828
"437963"	286.149623	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+NH4"	18.033823
"792401"	420.207523	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+NH4"	18.033823
"1692012"	152.091723	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+NH4"	18.033823
"339196"	143.5784495	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+H+NH4"	19.041099
"733806"	210.6073995	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+H+NH4"	19.041099
"1479970"	76.5494995	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H+NH4"	19.041099
"397556"	291.105018	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+Na"	22.989218
"760739"	425.162918	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+Na"	22.989218
"1607744"	157.047118	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Na"	22.989218
"323250"	146.056147	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+H+Na"	23.996494
"720043"	213.085097	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+H+Na"	23.996494
"1472403"	79.027197	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H+Na"	23.996494
"1061637"	53.0205566666667	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2H+Na"	25.00377
"1265502"	167.091386	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+CH3OH+H"	33.033486
"392348"	307.078958	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+K"	38.963158
"746178"	441.136858	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+K"	38.963158
"1544951"	173.021058	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+K"	38.963158
"302127"	154.043117	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+H+K"	39.970434
"696005"	221.072067	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+H+K"	39.970434
"1449824"	87.014167	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H+K"	39.970434
"241343"	310.149626	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+ACN+H"	42.033826
"1222799"	176.091726	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+ACN+H"	42.033826
"1205955"	88.549501	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+ACN+2H"	43.041102
"199190"	313.08696	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+2Na-H"	44.97116
"641666"	447.14486	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+2Na-H"	44.97116
"1144806"	179.02906	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2Na-H"	44.97116
"186634"	157.047118	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+2Na"	45.978436
"626923"	224.076068	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+2Na"	45.978436
"1125688"	90.018168	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2Na"	45.978436
"1405933"	60.3478706666667	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H+2Na"	46.985712
"1434036"	181.070646	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H+HCOOH"	47.012746
"234433"	162.08014	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+3H2O+2H"	56.04448
"1522375"	195.12269	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+IsoProp+H"	61.06479
"419148"	165.034088	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+Na+K"	61.952376
"783910"	232.063038	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+Na+K"	61.952376
"1676849"	98.005138	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Na+K"	61.952376
"261181"	332.131568	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+ACN+Na"	64.015768
"1237533"	198.073668	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+ACN+Na"	64.015768
"1724230"	198.097193	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+NH4+HCOOH"	64.039293
"1188492"	67.6751846666667	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+3Na"	68.967654
"1661307"	203.052588	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Na+HCOOH"	68.994688
"168535"	345.03484	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+2K-H"	76.91904
"610280"	479.09274	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+2K-H"	76.91904
"1098926"	210.97694	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2K-H"	76.91904
"156476"	173.021058	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"2M+2K"	77.926316
"586067"	240.050008	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"3M+2K"	77.926316
"1080058"	105.992108	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2K"	77.926316
"1113268"	212.991492	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2K+H"	78.933592
"1349648"	213.079107	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+DMSO+H"	79.021207
"1020737"	217.118276	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2ACN+H"	83.060376
"1537398"	218.111908	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+IsoProp+Na+H"	84.054008
"1002753"	109.062776	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+2ACN+2H"	84.067652
"1601266"	219.026528	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+K+HCOOH"	84.968628
"1428748"	249.058038	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+H+CF3COOH"	115.000138
"1160855"	129.576051	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+3ACN+2H"	125.094202
"1711499"	266.084585	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+NH4+CF3COOH"	132.026685
"1646053"	271.03998	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+Na+CF3COOH"	136.98208
"1583893"	287.01392	"C08347"	"2-Deoxy-alpha-D-ribopyranose"	"C5H10O4"	"134.0579"	"M+K+CF3COOH"	152.95602
"805509"	194.0427	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M"	0
"984510"	175.02431	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"70566"	128.354524	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"507939"	193.035424	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"883552"	63.673624	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"6504"	193.035424	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"443877"	290.056774	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"826053"	96.014074	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"87139"	387.078124	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"533027"	581.120824	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"910584"	193.035424	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"61925"	404.104671	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"501602"	598.147371	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"878431"	210.061971	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"44143"	409.060066	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"484799"	603.102766	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"856046"	215.017366	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1619379"	215.017366	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"97003"	211.023763	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"537657"	308.045113	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"933000"	114.002413	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"278118"	423.054802	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"673096"	617.097502	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1286715"	229.012102	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"27688"	425.034006	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"470702"	619.076706	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"846152"	230.991306	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1566361"	230.991306	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"954244"	239.040894	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"370273"	433.083601	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"356339"	447.099251	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1505176"	253.056551	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"969436"	261.022851	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"123812"	229.012102	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"563008"	326.033452	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1034353"	131.990752	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1255029"	272.961585	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1316386"	275.017572	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1333881"	296.999529	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"925302"	307.028286	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1300551"	343.004964	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1374336"	159.030024	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1386365"	177.04	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"283860"	389.092676	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"679566"	583.135376	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1364672"	195.049976	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"136465"	195.049976	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"574931"	292.071326	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1042650"	98.028626	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"211645"	130.369076	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"655945"	195.049976	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1172616"	65.688176	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"436251"	406.119223	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"793605"	600.161923	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1685562"	212.076523	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"333837"	203.5632495	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"726262"	300.5845995	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1478255"	106.5418995	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"394749"	411.074618	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"756475"	605.117318	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1610039"	217.031918	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"324085"	206.040947	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"716870"	303.062297	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1469593"	109.019597	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1060651"	73.01549	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1259415"	227.076186	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"390026"	427.048558	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"744101"	621.091258	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1546153"	233.005858	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"303329"	214.027917	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"696844"	311.049267	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1447382"	117.006567	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"241452"	430.119226	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1218535"	236.076526	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1201326"	118.541901	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"196384"	433.05656	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"638129"	627.09926	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1144915"	239.01386	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"180548"	217.031918	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"621199"	314.053268	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1124704"	120.010568	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1406043"	80.342804	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1434875"	241.055446	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"233935"	222.06494	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1518109"	255.10749	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"422414"	225.018888	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"783776"	322.040238	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1678052"	127.997538	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"262384"	452.101168	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1234362"	258.058468	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1724339"	258.081993	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1188602"	87.670118	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1662874"	263.037388	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"169738"	465.00444	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"611849"	659.04714	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1099157"	270.96174	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"155728"	233.005858	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"596629"	330.027208	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1080168"	135.984508	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1113378"	272.976292	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1350855"	273.063907	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1020847"	277.103076	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1539330"	278.096708	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1002864"	139.055176	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1600646"	279.011328	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1429101"	309.042838	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1160965"	159.568451	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1711489"	326.069385	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1646163"	331.02478	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1584003"	346.99872	"C08348"	"Galacturonic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"804526"	179.0794	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M"	0
"987900"	160.06101	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"70676"	118.378990666667	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"509142"	178.072124	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"882569"	58.6858573333333	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"6614"	178.072124	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"445080"	267.611824	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"827256"	88.532424	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"89435"	357.151524	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"527910"	536.230924	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"904618"	178.072124	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"62276"	374.178071	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"502326"	553.257471	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"877448"	195.098671	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"44253"	379.133466	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"481629"	558.212866	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"851780"	200.054066	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1619490"	200.054066	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"97842"	196.060463	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"537767"	285.600163	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"933110"	106.520763	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"276041"	393.128202	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"672112"	572.207602	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1283055"	214.048802	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"27434"	395.107406	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"469190"	574.186806	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"845169"	216.028006	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1565378"	216.028006	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"954350"	224.077594	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"370383"	403.157001	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"355356"	417.172651	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1505286"	238.093251	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"969547"	246.059551	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"122828"	214.048802	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"564575"	303.588502	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1034463"	124.509102	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1255503"	257.998285	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1316132"	260.054272	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1334355"	282.036229	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"925775"	292.064986	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1299568"	328.041664	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1373353"	144.066724	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1386475"	162.0767	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"283973"	359.166076	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"678583"	538.245476	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1364783"	180.086676	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"135482"	180.086676	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"575041"	269.626376	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1046040"	90.546976	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"214671"	120.393542666667	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"656419"	180.086676	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1174184"	60.7004093333333	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"436361"	376.192623	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"793715"	555.272023	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1687858"	197.113223	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"333947"	188.5999495	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"726372"	278.1396495	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1479824"	99.0602495	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"394493"	381.148018	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"755856"	560.227418	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1606871"	202.068618	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"323466"	191.077647	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"713700"	280.617347	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1470797"	101.537947	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1061854"	68.0277233333333	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1260253"	212.112886	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"383204"	397.121958	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"745303"	576.201358	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1544076"	218.042558	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"300522"	199.064617	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"698047"	288.604317	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1447128"	109.524917	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"243749"	400.192626	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1216458"	221.113226	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1201433"	111.060251	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"195400"	403.12996	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"639331"	582.20936	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1142472"	224.05056	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"183938"	202.068618	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"622402"	291.608318	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1124815"	112.528918	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1403964"	75.3550373333333	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1433527"	226.092146	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"234529"	207.10164	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1521135"	240.14419	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"422279"	210.055588	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"782180"	299.595288	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1678161"	120.515888	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"261764"	422.174568	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1232285"	243.095168	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1724448"	243.118693	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1187619"	82.6823513333333	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1663711"	248.074088	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"166561"	435.07784	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"610500"	614.15724	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1099391"	255.99844	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"154015"	218.042558	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"595764"	307.582258	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1076996"	128.502858	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1113367"	258.012992	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1350113"	258.100607	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1015115"	262.139776	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1538713"	263.133408	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"1002971"	131.573526	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1601728"	264.048028	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1428724"	294.079538	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1159981"	152.086801	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1709531"	311.106085	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1642993"	316.06148	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1584113"	332.03542	"C08349"	"beta-D-Glucosamine"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"804636"	194.0427	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"988010"	175.02431	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"70786"	128.354524	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"508159"	193.035424	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"882679"	63.673624	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"6724"	193.035424	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"445190"	290.056774	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"826273"	96.014074	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"88452"	387.078124	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"530208"	581.120824	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"908008"	193.035424	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"54728"	404.104671	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"500730"	598.147371	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"876465"	210.061971	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"43270"	409.060066	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"481739"	603.102766	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"856266"	215.017366	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1623613"	215.017366	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"103422"	211.023763	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"545171"	308.045113	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"937595"	114.002413	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"277244"	423.054802	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"674167"	617.097502	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1284258"	229.012102	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"27908"	425.034006	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"470636"	619.076706	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"847346"	230.991306	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1569858"	230.991306	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"956645"	239.040894	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"374868"	433.083601	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"355468"	447.099251	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1504303"	253.056551	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"972938"	261.022851	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"124762"	229.012102	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"562499"	326.033452	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1035302"	131.990752	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1255244"	272.961585	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1315513"	275.017572	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1333373"	296.999529	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"925524"	307.028286	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1296398"	343.004964	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1371277"	159.030024	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1384398"	177.04	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"283352"	389.092676	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"679786"	583.135376	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1365260"	195.049976	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"135593"	195.049976	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"574058"	292.071326	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1046515"	98.028626	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"212958"	130.369076	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"651427"	195.049976	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1176844"	65.688176	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"435013"	406.119223	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"798565"	600.161923	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1689063"	212.076523	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"338431"	203.5632495	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"729763"	300.5845995	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1483583"	106.5418995	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"397889"	411.074618	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"757790"	605.117318	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1608073"	217.031918	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"323580"	206.040947	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"719278"	303.062297	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1473096"	109.019597	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1060871"	73.01549	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1260727"	227.076186	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"383314"	427.048558	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"751247"	621.091258	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1551476"	233.005858	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"303549"	214.027917	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"698157"	311.049267	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1454164"	117.006567	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"242765"	430.119226	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1217661"	236.076526	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1204824"	118.541901	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"198790"	433.05656	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"639439"	627.09926	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1145863"	239.01386	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"187086"	217.031918	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"622512"	314.053268	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1123832"	120.010568	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1404074"	80.342804	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1432542"	241.055446	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"231357"	222.06494	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1520515"	255.10749	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"421296"	225.018888	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"783384"	322.040238	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1677541"	127.997538	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"263695"	452.101168	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1236766"	258.058468	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1725651"	258.081993	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1189915"	87.670118	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1664673"	263.037388	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"168858"	465.00444	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"612319"	659.04714	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1099799"	270.96174	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"156808"	233.005858	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"597040"	330.027208	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1077105"	135.984508	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1113598"	272.976292	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1351075"	273.063907	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1016319"	277.103076	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1539841"	278.096708	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1004053"	139.055176	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1602203"	279.011328	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1429199"	309.042838	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1161185"	159.568451	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1710371"	326.069385	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1643103"	331.02478	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1584223"	346.99872	"C08350"	"beta-D-Glucopyranuronic acid;beta-D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"811307"	180.0634	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M"	0
"988120"	161.04501	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"70896"	119.034990666667	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"509362"	179.056124	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"883882"	59.0138573333333	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"7927"	179.056124	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"445300"	269.087824	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"828207"	89.024424	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"92574"	359.119524	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"532384"	539.182924	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"909215"	179.056124	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"62578"	376.146071	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"502381"	556.209471	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877303"	196.082671	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"43380"	381.101466	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"485130"	561.164866	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"853823"	201.038066	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1623720"	201.038066	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"97698"	197.044463	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"545280"	287.076163	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"938799"	107.012763	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"278448"	395.096202	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"672332"	575.159602	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1284368"	215.032802	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"25830"	397.075406	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"466484"	577.138806	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"845391"	217.012006	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1568875"	217.012006	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"956755"	225.061594	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"373885"	405.125001	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"358616"	419.140651	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1506600"	239.077251	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"972926"	247.043551	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"125483"	215.032802	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"565285"	305.064502	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1036997"	125.001102	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1255354"	258.982285	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1318176"	261.038272	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1333485"	283.020229	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"926363"	293.048986	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1303069"	329.025664	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1375762"	145.050724	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1387787"	163.0607	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"287474"	361.134076	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"680991"	541.197476	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1363548"	181.070676	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"138986"	181.070676	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"579272"	271.102376	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1045167"	91.038976	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"212704"	121.049542666667	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"654817"	181.070676	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1175131"	61.0284093333333	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"435123"	378.160623	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"797218"	558.224023	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1686987"	198.097223	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"337451"	189.5839495	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"728780"	279.6156495	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1481507"	99.5522495	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"399092"	383.116018	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"760087"	563.179418	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1609278"	203.052618	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"324780"	192.061647	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"716108"	282.093347	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1471021"	102.029947	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1062077"	68.3557233333333	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1264484"	213.096886	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"382331"	399.089958	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"749900"	579.153358	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1551587"	219.026558	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"305847"	200.048617	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"695351"	290.080317	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1448807"	110.016917	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"245062"	402.160626	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1217770"	222.097226	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1203840"	111.552251	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"198900"	405.09796	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"642829"	585.16136	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1146094"	225.03456	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"187438"	203.052618	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"620071"	293.084318	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1123213"	113.020918	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1404183"	75.6830373333333	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1432653"	227.076146	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"235480"	208.08564	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1522815"	241.12819	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"421406"	211.039588	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"783494"	301.071288	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1676557"	121.007888	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"261981"	424.142568	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1237968"	244.079168	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1723574"	244.102693	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1191115"	83.0103513333333	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1663932"	249.058088	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"168968"	437.04584	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"608535"	617.10924	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1096327"	256.98244	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"155574"	219.026558	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"593799"	309.058258	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1081591"	128.994858	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1112615"	258.996992	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1347904"	259.084607	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1017522"	263.123776	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1537475"	264.117408	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1003923"	132.065526	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1599884"	265.032028	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1428945"	295.063538	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1162025"	152.578801	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1711938"	312.090085	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1643213"	317.04548	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1584333"	333.01942	"C08351"	"beta-D-Hamamelopyranose;beta-D-Hamamelose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"804856"	164.0685	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M"	0
"986044"	145.05011	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"71006"	108.371724	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"508379"	163.061224	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"879972"	53.682224	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"6944"	163.061224	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"446503"	245.095474	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"825402"	81.026974	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"87580"	327.129724	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"532978"	491.198224	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"906039"	163.061224	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"61269"	344.156271	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"498887"	508.224771	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"877781"	180.087771	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"43492"	349.111666	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"483054"	513.180166	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"852110"	185.043166	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1620550"	185.043166	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"94361"	181.049563	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"545390"	263.083813	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"938909"	99.015313	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"278558"	363.106402	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"672077"	527.174902	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1283385"	199.037902	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"25940"	365.085606	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"466594"	529.154106	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"845501"	201.017106	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1565706"	201.017106	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"953951"	209.066694	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"369618"	373.135201	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"356782"	387.150851	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1506712"	223.082351	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"973157"	231.048651	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"125610"	199.037902	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"564783"	281.072152	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1033700"	117.003652	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1253278"	242.987385	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1318286"	245.043372	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1333958"	267.025329	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"926108"	277.054086	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1299898"	313.030764	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1372592"	129.055824	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1383525"	147.0658	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"284669"	329.144276	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"678186"	493.212776	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1364747"	165.075776	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"136905"	165.075776	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"572091"	247.110026	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1045278"	83.041526	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"213178"	110.386276	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"653834"	165.075776	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1174148"	55.696776	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"434140"	346.170823	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"798421"	510.239323	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1692564"	182.102323	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"339748"	173.5890495	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"733262"	255.6232995	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1484897"	91.5547995	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"398110"	351.126218	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"761290"	515.194718	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1610481"	187.057718	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"324891"	176.066747	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"718405"	258.100997	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1471131"	94.032497	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1062189"	63.02409	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1263866"	197.101986	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"382441"	367.100158	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"747822"	531.168658	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1546593"	203.031658	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"303770"	184.053717	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"693274"	266.087967	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1451104"	102.019467	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"242985"	370.170826	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1215693"	206.102326	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1200670"	103.554801	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"199009"	373.10816	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"641846"	537.17666	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1145351"	209.03966	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"187548"	187.057718	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"619817"	269.091968	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1121864"	105.023468	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1401376"	70.351404	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1433126"	211.081246	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"234495"	192.09074	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1522924"	225.13329	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"420422"	195.044688	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"781417"	277.078938	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1674476"	113.010438	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"263185"	392.152768	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1236985"	228.084268	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1724777"	228.107793	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1189037"	77.678718	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1663314"	233.063188	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"169077"	405.05604	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"609738"	569.12454	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1098625"	240.98754	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"156780"	203.031658	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"596578"	285.065908	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1082553"	120.997408	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1112724"	243.002092	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1348014"	243.089707	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1017632"	247.128876	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1535758"	248.122508	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1004156"	124.068076	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1601083"	249.037128	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1428932"	279.068638	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1162498"	144.581351	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1712048"	296.095185	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1641136"	301.05058	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1584443"	317.02452	"C08352"	"Quinovose;alpha-D-Quinovopyranose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"804966"	150.0528	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M"	0
"986154"	131.03441	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"71116"	99.027924	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"509582"	149.045524	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"880819"	49.010324	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"7054"	149.045524	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"446613"	224.071924	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"828427"	74.019124	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"88783"	299.098324	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"532846"	449.151124	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"906149"	149.045524	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"60164"	316.124871	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"499847"	466.177671	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"876919"	166.072071	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"42509"	321.080266	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"480977"	471.133066	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"850763"	171.027466	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1620660"	171.027466	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"95364"	167.033863	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"541125"	242.060263	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"932456"	92.007463	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"272107"	335.075002	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"665622"	485.127802	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1278024"	185.022202	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"20581"	337.054206	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"459048"	487.107006	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"844518"	187.001406	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1568001"	187.001406	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"955518"	195.050994	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"369728"	345.103801	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"355799"	359.119451	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1508241"	209.066651	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"971080"	217.032951	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"124362"	185.022202	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"561733"	260.048602	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1032717"	109.995802	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1252295"	228.971685	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1318394"	231.027672	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1333338"	253.009629	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"924392"	263.038386	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1300008"	299.015064	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1372702"	115.040124	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1383101"	133.0501	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"283685"	301.112876	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"677932"	451.165676	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1364128"	151.060076	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"133735"	151.060076	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"570014"	226.086476	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1045021"	76.033676	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"212194"	101.042476	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"656854"	151.060076	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1173159"	51.024876	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"433151"	318.139423	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"799259"	468.192223	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1691581"	168.086623	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"342046"	159.5733495	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"733372"	234.5997495	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1487195"	84.5469495	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"401499"	323.094818	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"761400"	473.147618	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1610591"	173.042018	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"326095"	162.051047	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"718515"	237.077447	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1473429"	87.024647	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1063391"	58.35219	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1265068"	183.086286	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"382551"	339.068758	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"747932"	489.121558	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1543423"	189.015958	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"303880"	170.038017	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"692289"	245.064417	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1450121"	95.011617	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"240908"	342.139426	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1215803"	192.086626	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1199686"	96.546951	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"194744"	345.07676	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"640863"	495.12956	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1144004"	195.02396	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"186566"	173.042018	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"620656"	248.068418	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1120882"	98.015618	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1401486"	65.679504	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1433236"	197.065546	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"229136"	178.07504	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1519026"	211.11759	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"419801"	181.028988	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"776058"	256.055388	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1674586"	106.002588	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"262201"	364.121368	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1234908"	214.068568	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1723427"	214.092093	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1188054"	73.006818	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1662327"	219.047488	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"170280"	377.02464	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"612154"	527.07744	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1099546"	226.97184	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"157080"	189.015958	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"596690"	264.042358	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1083391"	113.989558	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1111741"	228.986392	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1349096"	229.074007	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1017742"	233.113176	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1535868"	234.106808	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"1004145"	117.060226	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1602286"	235.021428	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1429041"	265.052938	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1161514"	137.573501	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1708876"	282.079485	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1641246"	287.03488	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1584553"	303.00882	"C08353"	"beta-D-Ribopyranose;Ribose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"805076"	150.0528	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M"	0
"988450"	131.03441	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"65758"	99.027924	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"509692"	149.045524	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"881293"	49.010324	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"7164"	149.045524	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"445630"	224.071924	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"828901"	74.019124	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"88893"	299.098324	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"532105"	449.151124	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"906259"	149.045524	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"58451"	316.124871	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"498012"	466.177671	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"875813"	166.072071	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"44682"	321.080266	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"479994"	471.133066	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"854518"	171.027466	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1620770"	171.027466	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"96207"	167.033863	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"543422"	242.060263	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"934753"	92.007463	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"280358"	335.075002	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"667920"	485.127802	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1279229"	185.022202	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"22878"	337.054206	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"463533"	487.107006	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"846802"	187.001406	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1564832"	187.001406	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"951619"	195.050994	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"368745"	345.103801	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"355909"	359.119451	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1507418"	209.066651	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"971191"	217.032951	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"124471"	185.022202	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"561843"	260.048602	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1030641"	109.995802	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1249126"	228.971685	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1316318"	231.027672	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1332355"	253.009629	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"922316"	263.038386	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1293557"	299.015064	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1372812"	115.040124	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1383090"	133.0501	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"283795"	301.112876	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"677070"	451.165676	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1360959"	151.060076	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"133844"	151.060076	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"570123"	226.086476	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1048046"	76.033676	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"215583"	101.042476	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"658421"	151.060076	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1173270"	51.024876	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"434354"	318.139423	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"800465"	468.192223	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1696065"	168.086623	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"344952"	159.5733495	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"734577"	234.5997495	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1491928"	84.5469495	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"405617"	323.094818	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"763698"	473.147618	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1612888"	173.042018	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"326204"	162.051047	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"719719"	237.077447	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1474633"	87.024647	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1064595"	58.35219	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1266272"	183.086286	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"384848"	339.068758	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"752657"	489.121558	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1543897"	189.015958	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"306177"	170.038017	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"693130"	245.064417	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1449138"	95.011617	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"241018"	342.139426	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1215913"	192.086626	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1198702"	96.546951	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"197041"	345.07676	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"639883"	495.12956	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1144478"	195.02396	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"186555"	173.042018	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"620401"	248.068418	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1121356"	98.015618	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1402324"	65.679504	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1435532"	197.065546	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"226329"	178.07504	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1516578"	211.11759	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"418454"	181.028988	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"778357"	256.055388	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1672509"	106.002588	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"255384"	364.121368	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1233196"	214.068568	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1723904"	214.092093	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1190353"	73.006818	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1660250"	219.047488	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"170390"	377.02464	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"612186"	527.07744	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1098724"	226.97184	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"156392"	189.015958	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"593028"	264.042358	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1080829"	113.989558	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1115130"	228.986392	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1349693"	229.074007	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1017852"	233.113176	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1535978"	234.106808	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"1004984"	117.060226	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1601303"	235.021428	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1428058"	265.052938	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1161624"	137.573501	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1706800"	282.079485	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1641356"	287.03488	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1584663"	303.00882	"C08354"	"alpha-D-Ribulose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"802270"	210.074	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M"	0
"987467"	191.05561	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-H2O-H"	-19.01839
"65868"	139.042057333333	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M-3H"	-3.021828
"509802"	209.066724	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M-3H"	-3.021828
"882498"	69.0173906666667	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-3H"	-3.021828
"7274"	209.066724	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M-2H"	-2.014552
"445740"	314.103724	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M-2H"	-2.014552
"829740"	104.029724	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-2H"	-2.014552
"89003"	419.140724	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M-H"	-1.007276
"531848"	629.214724	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M-H"	-1.007276
"903087"	209.066724	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-H"	-1.007276
"59650"	436.167271	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M-2H+NH4"	16.019271
"500306"	646.241271	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M-2H+NH4"	16.019271
"878107"	226.093271	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-2H+NH4"	16.019271
"41633"	441.122666	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M-2H+Na"	20.974666
"482292"	651.196666	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M-2H+Na"	20.974666
"853534"	231.048666	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-2H+Na"	20.974666
"1620880"	231.048666	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Na-2H"	20.974666
"97774"	227.055063	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M-H+Cl"	33.962126
"538428"	332.092063	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M-H+Cl"	33.962126
"937048"	122.018063	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-H+Cl"	33.962126
"272325"	455.117402	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+Cl"	34.969402
"664746"	665.191402	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+Cl"	34.969402
"1280432"	245.043402	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Cl"	34.969402
"19706"	457.096606	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M-2H+K"	36.948606
"459268"	667.170606	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M-2H+K"	36.948606
"844725"	247.022606	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-2H+K"	36.948606
"1568221"	247.022606	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+K-2H"	36.948606
"951729"	255.072194	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-H+HCOOH"	44.998194
"374321"	465.146201	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+HCOOH-H"	44.998201
"357112"	479.161851	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+Hac-H"	59.013851
"1504491"	269.087851	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Hac-H"	59.013851
"970208"	277.054151	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-H+NaCOOH"	66.980151
"122395"	245.043402	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+2Cl"	69.938804
"564504"	350.080402	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+2Cl"	69.938804
"1031844"	140.006402	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2Cl"	69.938804
"1248142"	288.992885	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Br"	78.918885
"1318250"	291.048872	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Cl+HCOOH"	80.974872
"1333556"	313.030829	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Cl+NaCOOH"	102.956829
"922426"	323.059586	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M-H+CF3COOH"	112.985586
"1293667"	359.036264	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Cl+CF3COOH"	148.962264
"1372922"	175.061324	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H-2H2O"	-35.012676
"1382998"	193.0713	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H-H2O"	-17.0027
"283175"	421.155276	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+H"	1.007276
"678516"	631.229276	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+H"	1.007276
"1363255"	211.081276	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H"	1.007276
"133954"	211.081276	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+2H"	2.014552
"569136"	316.118276	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+2H"	2.014552
"1047791"	106.044276	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2H"	2.014552
"214598"	141.056609333333	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+3H"	3.021828
"657437"	211.081276	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+3H"	3.021828
"1173379"	71.0319426666667	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+3H"	3.021828
"434464"	438.181823	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+NH4"	18.033823
"799844"	648.255823	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+NH4"	18.033823
"1695811"	228.107823	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+NH4"	18.033823
"344941"	219.5945495	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+H+NH4"	19.041099
"734687"	324.6315495	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+H+NH4"	19.041099
"1489602"	114.5575495	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H+NH4"	19.041099
"400627"	443.137218	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+Na"	22.989218
"762716"	653.211218	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+Na"	22.989218
"1612999"	233.063218	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Na"	22.989218
"326314"	222.072247	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+H+Na"	23.996494
"718737"	327.109247	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+H+Na"	23.996494
"1472555"	117.035247	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H+Na"	23.996494
"1062517"	78.3592566666667	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2H+Na"	25.00377
"1267475"	243.107486	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+CH3OH+H"	33.033486
"384958"	459.111158	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+K"	38.963158
"752159"	669.185158	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+K"	38.963158
"1543644"	249.037158	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+K"	38.963158
"301914"	230.059217	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+H+K"	39.970434
"693238"	335.096217	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+H+K"	39.970434
"1447061"	125.022217	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H+K"	39.970434
"238943"	462.181826	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+ACN+H"	42.033826
"1214201"	252.107826	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+ACN+H"	42.033826
"1199907"	126.557551	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+ACN+2H"	43.041102
"197152"	465.11916	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+2Na-H"	44.97116
"641084"	675.19316	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+2Na-H"	44.97116
"1142401"	255.04516	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2Na-H"	44.97116
"184235"	233.063218	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+2Na"	45.978436
"621969"	338.100218	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+2Na"	45.978436
"1121830"	128.026218	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2Na"	45.978436
"1405714"	85.6865706666667	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H+2Na"	46.985712
"1437828"	257.086746	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H+HCOOH"	47.012746
"227532"	238.09624	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+3H2O+2H"	56.04448
"1518514"	271.13879	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+IsoProp+H"	61.06479
"417469"	241.050188	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+Na+K"	61.952376
"779560"	346.087188	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+Na+K"	61.952376
"1671522"	136.013188	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Na+K"	61.952376
"254765"	484.163768	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+ACN+Na"	64.015768
"1232940"	274.089768	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+ACN+Na"	64.015768
"1722918"	274.113293	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+NH4+HCOOH"	64.039293
"1188277"	93.0138846666667	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+3Na"	68.967654
"1659268"	279.068688	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Na+HCOOH"	68.994688
"165034"	497.06704	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+2K-H"	76.91904
"611522"	707.14104	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+2K-H"	76.91904
"1099199"	286.99304	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2K-H"	76.91904
"155892"	249.037158	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"2M+2K"	77.926316
"590951"	354.074158	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"3M+2K"	77.926316
"1081911"	144.000158	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2K"	77.926316
"1115160"	289.007592	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2K+H"	78.933592
"1350653"	289.095207	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+DMSO+H"	79.021207
"1016869"	293.134376	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2ACN+H"	83.060376
"1536088"	294.128008	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+IsoProp+Na+H"	84.054008
"1004243"	147.070826	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+2ACN+2H"	84.067652
"1602022"	295.042628	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+K+HCOOH"	84.968628
"1428168"	325.074138	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+H+CF3COOH"	115.000138
"1162463"	167.584101	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+3ACN+2H"	125.094202
"1711285"	342.100685	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+NH4+CF3COOH"	132.026685
"1643653"	347.05608	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+Na+CF3COOH"	136.98208
"1584773"	363.03002	"C08355"	"beta-D-Sedoheptulopyranose;beta-D-Sedoheptulose"	"C7H14O7"	"210.074"	"M+K+CF3COOH"	152.95602
"802380"	180.0634	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M"	0
"986484"	161.04501	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"65978"	119.034990666667	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"503714"	179.056124	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"880664"	59.0138573333333	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"7384"	179.056124	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444757"	269.087824	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"828028"	89.024424	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"89114"	359.119524	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"531958"	539.182924	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"901011"	179.056124	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"57574"	376.146071	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"499323"	556.209471	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"878217"	196.082671	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"41743"	381.101466	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"482402"	561.164866	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"853280"	201.038066	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1623542"	201.038066	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"97884"	197.044463	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"541455"	287.076163	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"934971"	107.012763	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"272435"	395.096202	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"663764"	575.159602	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1278355"	215.032802	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"18843"	397.075406	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"459378"	577.138806	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"834627"	217.012006	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1568331"	217.012006	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"955120"	225.061594	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"374798"	405.125001	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"359774"	419.140651	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1503872"	239.077251	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"970318"	247.043551	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"122505"	215.032802	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"563887"	305.064502	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1033047"	125.001102	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1248252"	258.982285	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1317267"	261.038272	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1332575"	283.020229	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"922536"	293.048986	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1293048"	329.025664	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1373032"	145.050724	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1383959"	163.0607	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"283204"	361.134076	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"678626"	541.197476	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1361178"	181.070676	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"131878"	181.070676	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"567788"	271.102376	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1042435"	91.038976	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"213614"	121.049542666667	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"652816"	181.070676	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1171302"	61.0284093333333	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"435665"	378.160623	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"801177"	558.224023	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1696700"	198.097223	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"345178"	189.5839495	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"737998"	279.6156495	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1492146"	99.5522495	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"408280"	383.116018	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"767929"	563.179418	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1614204"	203.052618	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"327885"	192.061647	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"721037"	282.093347	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1474127"	102.029947	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1067735"	68.3557233333333	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1270869"	213.096886	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"385068"	399.089958	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"753933"	579.153358	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1547035"	219.026558	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"303116"	200.048617	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"696631"	290.080317	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1449358"	110.016917	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"240148"	402.160626	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1220510"	222.097226	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1206577"	111.552251	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"198355"	405.09796	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"642289"	585.16136	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1144334"	225.03456	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"184345"	203.052618	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"617705"	293.084318	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1119754"	113.020918	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1403638"	75.6830373333333	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1435751"	227.076146	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"225456"	208.08564	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520080"	241.12819	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415393"	211.039588	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"778577"	301.071288	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1668353"	121.007888	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"258152"	424.142568	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1235234"	244.079168	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1720842"	244.102693	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1188024"	83.0103513333333	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1662658"	249.058088	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"165144"	437.04584	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"612118"	617.10924	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1099716"	256.98244	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"155880"	219.026558	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"592155"	309.058258	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1083363"	128.994858	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1115352"	258.996992	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1350770"	259.084607	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1014792"	263.123776	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1537291"	264.117408	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1003625"	132.065526	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1600429"	265.032028	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1428278"	295.063538	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1159657"	152.578801	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1711030"	312.090085	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1643763"	317.04548	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1584883"	333.01942	"C08356"	"alpha-L-Sorbopyranose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"802126"	352.1344	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M"	0
"986594"	333.11601	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-H2O-H"	-19.01839
"66088"	233.748990666667	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M-3H"	-3.021828
"504553"	351.127124	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M-3H"	-3.021828
"882355"	116.370857333333	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-3H"	-3.021828
"5307"	351.127124	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M-2H"	-2.014552
"444867"	527.194324	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M-2H"	-2.014552
"827045"	175.059924	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-2H"	-2.014552
"89224"	703.261524	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M-H"	-1.007276
"528787"	1055.395924	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M-H"	-1.007276
"904401"	351.127124	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-H"	-1.007276
"56590"	720.288071	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M-2H+NH4"	16.019271
"490683"	1072.422471	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M-2H+NH4"	16.019271
"871765"	368.153671	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-2H+NH4"	16.019271
"36020"	725.243466	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M-2H+Na"	20.974666
"481417"	1077.377866	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M-2H+Na"	20.974666
"849008"	373.109066	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-2H+Na"	20.974666
"1618784"	373.109066	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Na-2H"	20.974666
"94336"	369.115463	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M-H+Cl"	33.962126
"541565"	545.182663	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M-H+Cl"	33.962126
"935081"	193.048263	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-H+Cl"	33.962126
"274732"	739.238202	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+Cl"	34.969402
"670435"	1091.372602	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+Cl"	34.969402
"1278465"	387.103802	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Cl"	34.969402
"17740"	741.217406	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M-2H+K"	36.948606
"459489"	1093.351806	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M-2H+K"	36.948606
"841664"	389.083006	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-2H+K"	36.948606
"1557131"	389.083006	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+K-2H"	36.948606
"951949"	397.132594	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-H+HCOOH"	44.998194
"375637"	749.267001	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+HCOOH-H"	44.998201
"359515"	763.282651	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+Hac-H"	59.013851
"1503982"	411.148251	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Hac-H"	59.013851
"972250"	419.114551	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-H+NaCOOH"	66.980151
"124073"	387.103802	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+2Cl"	69.938804
"564724"	563.171002	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+2Cl"	69.938804
"1033886"	211.036602	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2Cl"	69.938804
"1255653"	431.053285	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Br"	78.918885
"1315192"	433.109272	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Cl+HCOOH"	80.974872
"1334141"	455.091229	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Cl+NaCOOH"	102.956829
"923377"	465.119986	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M-H+CF3COOH"	112.985586
"1297168"	501.096664	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Cl+CF3COOH"	148.962264
"1373142"	317.121724	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H-2H2O"	-35.012676
"1386628"	335.1317	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H-H2O"	-17.0027
"285220"	705.276076	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+H"	1.007276
"676549"	1057.410476	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+H"	1.007276
"1356914"	353.141676	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H"	1.007276
"130894"	353.141676	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+2H"	2.014552
"566805"	529.208876	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+2H"	2.014552
"1044731"	177.074476	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2H"	2.014552
"215910"	235.763542666667	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+3H"	3.021828
"654376"	353.141676	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+3H"	3.021828
"1170317"	118.385409333333	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+3H"	3.021828
"431401"	722.302623	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+NH4"	18.033823
"796776"	1074.437023	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+NH4"	18.033823
"1692014"	370.168223	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+NH4"	18.033823
"345365"	361.6549495	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+H+NH4"	19.041099
"737661"	537.7221495	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+H+NH4"	19.041099
"1492608"	185.5877495	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H+NH4"	19.041099
"408139"	727.258018	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+Na"	22.989218
"768404"	1079.392418	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+Na"	22.989218
"1617231"	375.123618	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Na"	22.989218
"329456"	364.132647	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+H+Na"	23.996494
"721875"	540.199847	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+H+Na"	23.996494
"1475331"	188.065447	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H+Na"	23.996494
"1067481"	125.712723333333	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2H+Na"	25.00377
"1272195"	385.167886	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+CH3OH+H"	33.033486
"385178"	743.231958	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+K"	38.963158
"754154"	1095.366358	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+K"	38.963158
"1547145"	391.097558	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+K"	38.963158
"308696"	372.119617	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+H+K"	39.970434
"695649"	548.186817	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+H+K"	39.970434
"1450563"	196.052417	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H+K"	39.970434
"239164"	746.302626	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+ACN+H"	42.033826
"1221714"	394.168226	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+ACN+H"	42.033826
"1206687"	197.587751	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+ACN+2H"	43.041102
"198465"	749.23996	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+2Na-H"	44.97116
"642644"	1101.37436	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+2Na-H"	44.97116
"1144084"	397.10556	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2Na-H"	44.97116
"184458"	375.123618	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+2Na"	45.978436
"622191"	551.190818	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+2Na"	45.978436
"1119136"	199.056418	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2Na"	45.978436
"1402655"	133.040037333333	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H+2Na"	46.985712
"1438049"	399.147146	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H+HCOOH"	47.012746
"228847"	380.15664	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+3H2O+2H"	56.04448
"1518735"	413.19919	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+IsoProp+H"	61.06479
"418057"	383.110588	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+Na+K"	61.952376
"776502"	559.177788	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+Na+K"	61.952376
"1668463"	207.043388	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Na+K"	61.952376
"258261"	768.284568	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+ACN+Na"	64.015768
"1230970"	416.150168	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+ACN+Na"	64.015768
"1717672"	416.173693	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+NH4+HCOOH"	64.039293
"1188496"	140.367351333333	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+3Na"	68.967654
"1660581"	421.129088	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Na+HCOOH"	68.994688
"165253"	781.18784	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+2K-H"	76.91904
"612066"	1133.32224	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+2K-H"	76.91904
"1099662"	429.05344	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2K-H"	76.91904
"156113"	391.097558	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"2M+2K"	77.926316
"595546"	567.164758	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"3M+2K"	77.926316
"1083710"	215.030358	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2K"	77.926316
"1115461"	431.067992	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2K+H"	78.933592
"1350505"	431.155607	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+DMSO+H"	79.021207
"1015994"	435.194776	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2ACN+H"	83.060376
"1539854"	436.188408	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+IsoProp+Na+H"	84.054008
"1004221"	218.101026	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+2ACN+2H"	84.067652
"1602549"	437.103028	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+K+HCOOH"	84.968628
"1428757"	467.134538	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+H+CF3COOH"	115.000138
"1161956"	238.614301	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+3ACN+2H"	125.094202
"1711505"	484.161085	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+NH4+CF3COOH"	132.026685
"1643873"	489.11648	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+Na+CF3COOH"	136.98208
"1584993"	505.09042	"C08357"	"Estradiol-17beta 3-sulfate"	"C18H24O5S"	"352.1344"	"M+K+CF3COOH"	152.95602
"802964"	380.1294	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M"	0
"985611"	361.11101	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-H2O-H"	-19.01839
"66198"	252.412324	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M-3H"	-3.021828
"504662"	379.122124	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M-3H"	-3.021828
"881370"	125.702524	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-3H"	-3.021828
"2135"	379.122124	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M-2H"	-2.014552
"443881"	569.186824	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M-2H"	-2.014552
"820956"	189.057424	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-2H"	-2.014552
"89334"	759.251524	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M-H"	-1.007276
"525617"	1139.380924	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M-H"	-1.007276
"900137"	379.122124	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-H"	-1.007276
"50868"	776.278071	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M-2H+NH4"	16.019271
"490794"	1156.407471	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M-2H+NH4"	16.019271
"869323"	396.148671	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-2H+NH4"	16.019271
"34307"	781.233466	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M-2H+Na"	20.974666
"478978"	1161.362866	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M-2H+Na"	20.974666
"849849"	401.104066	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-2H+Na"	20.974666
"1619020"	401.104066	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Na-2H"	20.974666
"95300"	397.110463	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M-H+Cl"	33.962126
"541676"	587.175163	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M-H+Cl"	33.962126
"931912"	207.045763	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-H+Cl"	33.962126
"274842"	795.228202	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+Cl"	34.969402
"670545"	1175.357602	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+Cl"	34.969402
"1280762"	415.098802	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Cl"	34.969402
"17850"	797.207406	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M-2H+K"	36.948606
"462879"	1177.336806	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M-2H+K"	36.948606
"841774"	417.078006	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-2H+K"	36.948606
"1555864"	417.078006	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+K-2H"	36.948606
"943340"	425.127594	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-H+HCOOH"	44.998194
"364070"	805.257001	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+HCOOH-H"	44.998201
"347223"	819.272651	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+Hac-H"	59.013851
"1505184"	439.143251	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Hac-H"	59.013851
"974059"	447.109551	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-H+NaCOOH"	66.980151
"124790"	415.098802	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+2Cl"	69.938804
"564468"	605.163502	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+2Cl"	69.938804
"1031080"	225.034102	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2Cl"	69.938804
"1256127"	459.048285	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Br"	78.918885
"1316394"	461.104272	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Cl+HCOOH"	80.974872
"1331699"	483.086229	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Cl+NaCOOH"	102.956829
"923850"	493.114986	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M-H+CF3COOH"	112.985586
"1298372"	529.091664	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Cl+CF3COOH"	148.962264
"1373252"	345.116724	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H-2H2O"	-35.012676
"1384186"	363.1267	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H-H2O"	-17.0027
"283222"	761.266076	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+H"	1.007276
"676659"	1141.395476	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+H"	1.007276
"1359209"	381.136676	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H"	1.007276
"132097"	381.136676	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+2H"	2.014552
"567279"	571.201376	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+2H"	2.014552
"1039360"	191.071976	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2H"	2.014552
"205809"	254.426876	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+3H"	3.021828
"654486"	381.136676	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+3H"	3.021828
"1170426"	127.717076	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+3H"	3.021828
"430417"	778.292623	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+NH4"	18.033823
"791412"	1158.422023	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+NH4"	18.033823
"1685557"	398.163223	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+NH4"	18.033823
"337117"	389.6499495	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+H+NH4"	19.041099
"735746"	579.7146495	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+H+NH4"	19.041099
"1492121"	199.5852495	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H+NH4"	19.041099
"407886"	783.248018	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+Na"	22.989218
"769003"	1163.377418	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+Na"	22.989218
"1618428"	403.118618	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Na"	22.989218
"329325"	392.127647	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+H+Na"	23.996494
"722597"	582.192347	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+H+Na"	23.996494
"1476903"	202.062947	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H+Na"	23.996494
"1067227"	135.04439	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2H+Na"	25.00377
"1270726"	413.162886	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+CH3OH+H"	33.033486
"385288"	799.221958	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+K"	38.963158
"753909"	1179.351358	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+K"	38.963158
"1548348"	419.092558	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+K"	38.963158
"304432"	400.114617	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+H+K"	39.970434
"695759"	590.179317	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+H+K"	39.970434
"1449579"	210.049917	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H+K"	39.970434
"238180"	802.292626	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+ACN+H"	42.033826
"1223647"	422.163226	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+ACN+H"	42.033826
"1205342"	211.585251	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+ACN+2H"	43.041102
"198575"	805.22996	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+2Na-H"	44.97116
"642996"	1185.35936	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+2Na-H"	44.97116
"1145287"	425.10056	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2Na-H"	44.97116
"185661"	403.118618	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+2Na"	45.978436
"621208"	593.183318	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+2Na"	45.978436
"1119246"	213.053918	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2Na"	45.978436
"1403858"	142.371704	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H+2Na"	46.985712
"1433786"	427.142146	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H+HCOOH"	47.012746
"228957"	408.15164	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+3H2O+2H"	56.04448
"1519936"	441.19419	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+IsoProp+H"	61.06479
"418532"	411.105588	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+Na+K"	61.952376
"778799"	601.170288	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+Na+K"	61.952376
"1670759"	221.040888	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Na+K"	61.952376
"258372"	824.274568	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+ACN+Na"	64.015768
"1231079"	444.145168	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+ACN+Na"	64.015768
"1718874"	444.168693	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+NH4+HCOOH"	64.039293
"1188606"	149.699018	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+3Na"	68.967654
"1664459"	449.124088	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Na+HCOOH"	68.994688
"165363"	837.17784	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+2K-H"	76.91904
"612216"	1217.30724	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+2K-H"	76.91904
"1099408"	457.04844	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2K-H"	76.91904
"156465"	419.092558	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"2M+2K"	77.926316
"592376"	609.157258	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"3M+2K"	77.926316
"1083452"	229.027858	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2K"	77.926316
"1115327"	459.062992	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2K+H"	78.933592
"1350615"	459.150607	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+DMSO+H"	79.021207
"1016104"	463.189776	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2ACN+H"	83.060376
"1535320"	464.183408	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+IsoProp+Na+H"	84.054008
"1003965"	232.098526	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+2ACN+2H"	84.067652
"1602521"	465.098028	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+K+HCOOH"	84.968628
"1428136"	495.129538	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+H+CF3COOH"	115.000138
"1162513"	252.611801	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+3ACN+2H"	125.094202
"1712637"	512.156085	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+NH4+CF3COOH"	132.026685
"1643983"	517.11148	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+Na+CF3COOH"	136.98208
"1585103"	533.08542	"C08358"	"2-Methoxyestrone 3-sulfate"	"C19H24O6S"	"380.1294"	"M+K+CF3COOH"	152.95602
"802467"	382.145	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M"	0
"984627"	363.12661	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-H2O-H"	-19.01839
"66308"	253.756057333333	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M-3H"	-3.021828
"504286"	381.137724	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M-3H"	-3.021828
"880873"	126.374390666667	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-3H"	-3.021828
"1152"	381.137724	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M-2H"	-2.014552
"443991"	572.210224	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M-2H"	-2.014552
"818879"	190.065224	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-2H"	-2.014552
"85070"	763.282724	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M-H"	-1.007276
"525727"	1145.427724	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M-H"	-1.007276
"899518"	381.137724	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-H"	-1.007276
"50978"	780.309271	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M-2H+NH4"	16.019271
"491268"	1162.454271	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M-2H+NH4"	16.019271
"869432"	398.164271	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-2H+NH4"	16.019271
"35146"	785.264666	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M-2H+Na"	20.974666
"480545"	1167.409666	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M-2H+Na"	20.974666
"849595"	403.119666	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-2H+Na"	20.974666
"1619494"	403.119666	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Na-2H"	20.974666
"94680"	399.126063	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M-H+Cl"	33.962126
"538504"	590.198563	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M-H+Cl"	33.962126
"932022"	208.053563	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-H+Cl"	33.962126
"269484"	799.259402	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+Cl"	34.969402
"666280"	1181.404402	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+Cl"	34.969402
"1278683"	417.114402	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Cl"	34.969402
"17959"	801.238606	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M-2H+K"	36.948606
"456427"	1183.383606	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M-2H+K"	36.948606
"836415"	419.093606	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-2H+K"	36.948606
"1555793"	419.093606	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+K-2H"	36.948606
"943776"	427.143194	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-H+HCOOH"	44.998194
"364908"	809.288201	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+HCOOH-H"	44.998201
"348062"	823.303851	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+Hac-H"	59.013851
"1494707"	441.158851	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Hac-H"	59.013851
"972830"	449.125151	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-H+NaCOOH"	66.980151
"124173"	417.114402	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+2Cl"	69.938804
"562391"	608.186902	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+2Cl"	69.938804
"1029001"	226.041902	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2Cl"	69.938804
"1251862"	461.063885	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Br"	78.918885
"1316503"	463.119872	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Cl+HCOOH"	80.974872
"1331809"	485.101829	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Cl+NaCOOH"	102.956829
"921773"	495.130586	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M-H+CF3COOH"	112.985586
"1294108"	531.107264	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Cl+CF3COOH"	148.962264
"1370082"	347.132324	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H-2H2O"	-35.012676
"1383202"	365.1423	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H-H2O"	-17.0027
"283494"	765.297276	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+H"	1.007276
"676074"	1147.442276	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+H"	1.007276
"1357132"	383.152276	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H"	1.007276
"132207"	383.152276	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+2H"	2.014552
"567754"	574.224776	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+2H"	2.014552
"1039471"	192.079776	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2H"	2.014552
"206648"	255.770609333333	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+3H"	3.021828
"654596"	383.152276	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+3H"	3.021828
"1170535"	128.388942666667	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+3H"	3.021828
"432712"	782.323823	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+NH4"	18.033823
"792615"	1164.468823	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+NH4"	18.033823
"1688946"	400.178823	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+NH4"	18.033823
"339049"	391.6655495	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+H+NH4"	19.041099
"732934"	582.7380495	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+H+NH4"	19.041099
"1481285"	200.5930495	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H+NH4"	19.041099
"407509"	787.279218	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+Na"	22.989218
"768258"	1169.424218	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+Na"	22.989218
"1618147"	405.134218	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Na"	22.989218
"329438"	394.143247	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+H+Na"	23.996494
"722344"	585.215747	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+H+Na"	23.996494
"1474821"	203.070747	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H+Na"	23.996494
"1066123"	135.716256666667	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2H+Na"	25.00377
"1270350"	415.178486	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+CH3OH+H"	33.033486
"383212"	803.253158	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+K"	38.963158
"753089"	1185.398158	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+K"	38.963158
"1546272"	421.108158	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+K"	38.963158
"302355"	402.130217	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+H+K"	39.970434
"699150"	593.202717	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+H+K"	39.970434
"1454062"	211.057717	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H+K"	39.970434
"239385"	806.323826	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+ACN+H"	42.033826
"1222665"	424.178826	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+ACN+H"	42.033826
"1206913"	212.593051	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+ACN+2H"	43.041102
"201603"	809.26116	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+2Na-H"	44.97116
"641890"	1191.40616	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+2Na-H"	44.97116
"1144668"	427.11616	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2Na-H"	44.97116
"186621"	405.134218	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+2Na"	45.978436
"620225"	596.206718	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+2Na"	45.978436
"1122636"	214.061718	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2Na"	45.978436
"1402510"	143.043570666667	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H+2Na"	46.985712
"1434626"	429.157746	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H+HCOOH"	47.012746
"229067"	410.16724	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+3H2O+2H"	56.04448
"1520046"	443.20979	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+IsoProp+H"	61.06479
"421556"	413.121188	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+Na+K"	61.952376
"778908"	604.193688	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+Na+K"	61.952376
"1669778"	222.048688	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Na+K"	61.952376
"257389"	828.305768	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+ACN+Na"	64.015768
"1231189"	446.160768	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+ACN+Na"	64.015768
"1718984"	446.184293	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+NH4+HCOOH"	64.039293
"1188716"	150.370884666667	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+3Na"	68.967654
"1664812"	451.139688	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Na+HCOOH"	68.994688
"165473"	841.20904	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+2K-H"	76.91904
"612736"	1223.35404	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+2K-H"	76.91904
"1099641"	459.06404	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2K-H"	76.91904
"157090"	421.108158	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"2M+2K"	77.926316
"593579"	612.180658	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"3M+2K"	77.926316
"1083200"	230.035658	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2K"	77.926316
"1115074"	461.078592	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2K+H"	78.933592
"1349752"	461.166207	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+DMSO+H"	79.021207
"1016214"	465.205376	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2ACN+H"	83.060376
"1534337"	466.199008	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+IsoProp+Na+H"	84.054008
"1000787"	233.106326	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+2ACN+2H"	84.067652
"1602346"	467.113628	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+K+HCOOH"	84.968628
"1427154"	497.145138	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+H+CF3COOH"	115.000138
"1162422"	253.619601	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+3ACN+2H"	125.094202
"1712455"	514.171685	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+NH4+CF3COOH"	132.026685
"1644093"	519.12708	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+Na+CF3COOH"	136.98208
"1585213"	535.10102	"C08359"	"2-Methoxyestradiol-17beta 3-sulfate"	"C19H26O6S"	"382.145"	"M+K+CF3COOH"	152.95602
"805736"	254.2246	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M"	0
"988017"	235.20621	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-H2O-H"	-19.01839
"66418"	168.475790666667	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M-3H"	-3.021828
"505976"	253.217324	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M-3H"	-3.021828
"881591"	83.7342573333333	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-3H"	-3.021828
"4541"	253.217324	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M-2H"	-2.014552
"444101"	380.329624	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M-2H"	-2.014552
"820810"	126.105024	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-2H"	-2.014552
"83722"	507.441924	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M-H"	-1.007276
"520730"	761.666524	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M-H"	-1.007276
"896826"	253.217324	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-H"	-1.007276
"48649"	524.468471	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M-2H+NH4"	16.019271
"489551"	778.693071	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M-2H+NH4"	16.019271
"868448"	270.243871	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-2H+NH4"	16.019271
"34645"	529.423866	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M-2H+Na"	20.974666
"480656"	783.648466	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M-2H+Na"	20.974666
"850433"	275.199266	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-2H+Na"	20.974666
"1619967"	275.199266	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Na-2H"	20.974666
"96129"	271.205663	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M-H+Cl"	33.962126
"539708"	398.317963	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M-H+Cl"	33.962126
"933225"	144.093363	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-H+Cl"	33.962126
"273968"	543.418602	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+Cl"	34.969402
"665297"	797.643202	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+Cl"	34.969402
"1280980"	289.194002	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Cl"	34.969402
"19162"	545.397806	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M-2H+K"	36.948606
"457629"	799.622406	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M-2H+K"	36.948606
"836525"	291.173206	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-2H+K"	36.948606
"1556483"	291.173206	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+K-2H"	36.948606
"943274"	299.222794	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-H+HCOOH"	44.998194
"363559"	553.447401	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+HCOOH-H"	44.998201
"348901"	567.463051	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+Hac-H"	59.013851
"1494816"	313.238451	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Hac-H"	59.013851
"960902"	321.204751	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-H+NaCOOH"	66.980151
"111630"	289.194002	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+2Cl"	69.938804
"553381"	416.306302	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+2Cl"	69.938804
"1024369"	162.081702	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2Cl"	69.938804
"1246501"	333.143485	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Br"	78.918885
"1317703"	335.199472	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Cl+HCOOH"	80.974872
"1329731"	357.181429	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Cl+NaCOOH"	102.956829
"911674"	367.210186	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M-H+CF3COOH"	112.985586
"1295311"	403.186864	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Cl+CF3COOH"	148.962264
"1367998"	219.211924	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H-2H2O"	-35.012676
"1383186"	237.2219	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H-H2O"	-17.0027
"283476"	509.456476	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+H"	1.007276
"675901"	763.681076	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+H"	1.007276
"1354689"	255.231876	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H"	1.007276
"127212"	255.231876	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+2H"	2.014552
"566403"	382.344176	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+2H"	2.014552
"1039580"	128.119576	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2H"	2.014552
"206389"	170.490342666667	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+3H"	3.021828
"650331"	255.231876	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+3H"	3.021828
"1168457"	85.7488093333333	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+3H"	3.021828
"430635"	526.483023	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+NH4"	18.033823
"787255"	780.707623	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+NH4"	18.033823
"1682487"	272.258423	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+NH4"	18.033823
"337336"	263.7451495	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+H+NH4"	19.041099
"731951"	390.8574495	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+H+NH4"	19.041099
"1483581"	136.6328495	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H+NH4"	19.041099
"407945"	531.438418	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+Na"	22.989218
"769215"	785.663018	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+Na"	22.989218
"1618133"	277.213818	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Na"	22.989218
"328935"	266.222847	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+H+Na"	23.996494
"721855"	393.335147	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+H+Na"	23.996494
"1475296"	139.110547	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H+Na"	23.996494
"1068298"	93.0761233333333	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2H+Na"	25.00377
"1271187"	287.258086	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+CH3OH+H"	33.033486
"385508"	547.412358	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+K"	38.963158
"753446"	801.636958	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+K"	38.963158
"1545288"	293.187758	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+K"	38.963158
"304651"	274.209817	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+H+K"	39.970434
"699259"	401.322117	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+H+K"	39.970434
"1454173"	147.097517	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H+K"	39.970434
"242775"	550.483026	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+ACN+H"	42.033826
"1223872"	296.258426	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+ACN+H"	42.033826
"1207025"	148.632851	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+ACN+2H"	43.041102
"200621"	553.42036	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+2Na-H"	44.97116
"642000"	807.64496	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+2Na-H"	44.97116
"1144046"	299.19576	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2Na-H"	44.97116
"186732"	277.213818	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+2Na"	45.978436
"620335"	404.326118	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+2Na"	45.978436
"1120559"	150.101518	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2Na"	45.978436
"1400192"	100.403437333333	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H+2Na"	46.985712
"1433641"	301.237346	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H+HCOOH"	47.012746
"225896"	282.24684	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+3H2O+2H"	56.04448
"1521858"	315.28939	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+IsoProp+H"	61.06479
"421788"	285.200788	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+Na+K"	61.952376
"777925"	412.313088	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+Na+K"	61.952376
"1674260"	158.088488	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Na+K"	61.952376
"258593"	572.464968	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+ACN+Na"	64.015768
"1230206"	318.240368	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+ACN+Na"	64.015768
"1720187"	318.263893	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+NH4+HCOOH"	64.039293
"1186638"	107.730751333333	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+3Na"	68.967654
"1664807"	323.219288	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Na+HCOOH"	68.994688
"171048"	585.36824	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+2K-H"	76.91904
"612484"	839.59284	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+2K-H"	76.91904
"1099263"	331.14364	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2K-H"	76.91904
"156813"	293.187758	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"2M+2K"	77.926316
"596120"	420.300058	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"3M+2K"	77.926316
"1083678"	166.075458	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2K"	77.926316
"1114578"	333.158192	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2K+H"	78.933592
"1349862"	333.245807	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+DMSO+H"	79.021207
"1018510"	337.284976	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2ACN+H"	83.060376
"1538578"	338.278608	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+IsoProp+Na+H"	84.054008
"1004177"	169.146126	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+2ACN+2H"	84.067652
"1602332"	339.193228	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+K+HCOOH"	84.968628
"1427994"	369.224738	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+H+CF3COOH"	115.000138
"1162285"	189.659401	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+3ACN+2H"	125.094202
"1711834"	386.251285	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+NH4+CF3COOH"	132.026685
"1644203"	391.20668	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+Na+CF3COOH"	136.98208
"1585323"	407.18062	"C08362"	"(9Z)-Hexadecenoic acid;Palmitoleic acid;cis-9-Hexadecenoic acid;(9Z)-Hexadec-9-enoate"	"C16H30O2"	"254.2246"	"M+K+CF3COOH"	152.95602
"809126"	282.2559	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M"	0
"989719"	263.23751	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H2O-H"	-19.01839
"69808"	187.163324	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-3H"	-3.021828
"506087"	281.248624	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-3H"	-3.021828
"883886"	93.078024	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-3H"	-3.021828
"3922"	281.248624	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H"	-2.014552
"446397"	422.376574	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H"	-2.014552
"820921"	140.120674	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H"	-2.014552
"84197"	563.504524	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-H"	-1.007276
"523756"	845.760424	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-H"	-1.007276
"898275"	281.248624	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H"	-1.007276
"49371"	580.531071	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H+NH4"	16.019271
"489661"	862.786971	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H+NH4"	16.019271
"868559"	298.275171	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H+NH4"	16.019271
"35000"	585.486466	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H+Na"	20.974666
"479669"	867.742366	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H+Na"	20.974666
"849451"	303.230566	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H+Na"	20.974666
"1620442"	303.230566	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na-2H"	20.974666
"96972"	299.236963	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-H+Cl"	33.962126
"539089"	440.364913	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-H+Cl"	33.962126
"932242"	158.109013	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+Cl"	33.962126
"274078"	599.481202	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Cl"	34.969402
"666500"	881.737102	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+Cl"	34.969402
"1279997"	317.225302	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl"	34.969402
"18543"	601.460406	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H+K"	36.948606
"457251"	883.716306	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H+K"	36.948606
"836635"	319.204506	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H+K"	36.948606
"1559023"	319.204506	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K-2H"	36.948606
"943993"	327.254094	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+HCOOH"	44.998194
"364034"	609.510001	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+HCOOH-H"	44.998201
"349740"	623.525651	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Hac-H"	59.013851
"1497478"	341.269751	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Hac-H"	59.013851
"960647"	349.236051	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+NaCOOH"	66.980151
"113564"	317.225302	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2Cl"	69.938804
"551421"	458.353252	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2Cl"	69.938804
"1024113"	176.097352	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2Cl"	69.938804
"1247704"	361.174785	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Br"	78.918885
"1313440"	363.230772	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl+HCOOH"	80.974872
"1329841"	385.212729	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl+NaCOOH"	102.956829
"912513"	395.241486	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+CF3COOH"	112.985586
"1296514"	431.218164	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl+CF3COOH"	148.962264
"1368474"	247.243224	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H-2H2O"	-35.012676
"1385240"	265.2532	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H-H2O"	-17.0027
"285047"	565.519076	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H"	1.007276
"676739"	847.774976	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H"	1.007276
"1354071"	283.263176	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H"	1.007276
"127323"	283.263176	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2H"	2.014552
"567607"	424.391126	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2H"	2.014552
"1040055"	142.135226	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2H"	2.014552
"207228"	189.177876	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+3H"	3.021828
"648253"	283.263176	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+3H"	3.021828
"1166741"	95.092576	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+3H"	3.021828
"430745"	582.545623	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+NH4"	18.033823
"790646"	864.801523	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+NH4"	18.033823
"1683326"	300.289723	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+NH4"	18.033823
"337445"	291.7764495	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H+NH4"	19.041099
"730967"	432.9043995	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H+NH4"	19.041099
"1484783"	150.6484995	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+NH4"	19.041099
"408375"	587.501018	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Na"	22.989218
"762275"	869.756918	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+Na"	22.989218
"1618198"	305.245118	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na"	22.989218
"329524"	294.254147	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H+Na"	23.996494
"722560"	435.382097	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H+Na"	23.996494
"1476949"	153.126197	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+Na"	23.996494
"1067799"	102.41989	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2H+Na"	25.00377
"1272230"	315.289386	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+CH3OH+H"	33.033486
"385618"	603.474958	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+K"	38.963158
"745520"	885.730858	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+K"	38.963158
"1543210"	321.219058	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K"	38.963158
"303664"	302.241117	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H+K"	39.970434
"696086"	443.369067	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H+K"	39.970434
"1450999"	161.113167	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+K"	39.970434
"238871"	606.545626	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+ACN+H"	42.033826
"1219967"	324.289726	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+ACN+H"	42.033826
"1206035"	162.648501	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+ACN+2H"	43.041102
"197813"	609.48296	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2Na-H"	44.97116
"640651"	891.73886	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2Na-H"	44.97116
"1144523"	327.22706	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2Na-H"	44.97116
"183073"	305.245118	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2Na"	45.978436
"623725"	446.373068	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2Na"	45.978436
"1119576"	164.117168	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2Na"	45.978436
"1405284"	109.747204	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+2Na"	46.985712
"1434480"	329.268646	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+HCOOH"	47.012746
"226006"	310.27814	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+3H2O+2H"	56.04448
"1521724"	343.32069	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+H"	61.06479
"418131"	313.232088	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Na+K"	61.952376
"772203"	454.360038	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+Na+K"	61.952376
"1670355"	172.104138	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na+K"	61.952376
"257609"	628.527568	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+ACN+Na"	64.015768
"1228494"	346.271668	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+ACN+Na"	64.015768
"1718111"	346.295193	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+NH4+HCOOH"	64.039293
"1186748"	117.074518	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+3Na"	68.967654
"1662843"	351.250588	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na+HCOOH"	68.994688
"168972"	641.43084	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2K-H"	76.91904
"610724"	923.68674	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2K-H"	76.91904
"1097423"	359.17494	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2K-H"	76.91904
"156311"	321.219058	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2K"	77.926316
"592706"	462.347008	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2K"	77.926316
"1083053"	180.091108	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2K"	77.926316
"1113710"	361.189492	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2K+H"	78.933592
"1347906"	361.277107	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+DMSO+H"	79.021207
"1016434"	365.316276	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2ACN+H"	83.060376
"1536745"	366.309908	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+Na+H"	84.054008
"999914"	183.161776	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2ACN+2H"	84.067652
"1602319"	367.224528	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K+HCOOH"	84.968628
"1427738"	397.256038	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+CF3COOH"	115.000138
"1161302"	203.675051	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+3ACN+2H"	125.094202
"1711581"	414.282585	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+NH4+CF3COOH"	132.026685
"1644313"	419.23798	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na+CF3COOH"	136.98208
"1585433"	435.21192	"C08363"	"(6Z)-Octadecenoic acid;Petroselinic acid;cis-6-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K+CF3COOH"	152.95602
"805956"	278.2246	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M"	0
"982770"	259.20621	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-H2O-H"	-19.01839
"65544"	184.475790666667	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M-3H"	-3.021828
"505104"	277.217324	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M-3H"	-3.021828
"880470"	91.7342573333333	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-3H"	-3.021828
"4762"	277.217324	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M-2H"	-2.014552
"446509"	416.329624	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M-2H"	-2.014552
"822125"	138.105024	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-2H"	-2.014552
"85400"	555.441924	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M-H"	-1.007276
"523866"	833.666524	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M-H"	-1.007276
"898022"	277.217324	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-H"	-1.007276
"51304"	572.468471	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M-2H+NH4"	16.019271
"488313"	850.693071	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M-2H+NH4"	16.019271
"865752"	294.243871	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-2H+NH4"	16.019271
"32557"	577.423866	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M-2H+Na"	20.974666
"479779"	855.648466	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M-2H+Na"	20.974666
"849195"	299.199266	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-2H+Na"	20.974666
"1620188"	299.199266	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Na-2H"	20.974666
"95745"	295.205663	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M-H+Cl"	33.962126
"539928"	434.317963	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M-H+Cl"	33.962126
"932352"	156.093363	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-H+Cl"	33.962126
"270906"	591.418602	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+Cl"	34.969402
"665517"	869.643202	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+Cl"	34.969402
"1280107"	313.194002	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Cl"	34.969402
"18653"	593.397806	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M-2H+K"	36.948606
"456510"	871.622406	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M-2H+K"	36.948606
"834923"	315.173206	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-2H+K"	36.948606
"1557917"	315.173206	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+K-2H"	36.948606
"943250"	323.222794	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-H+HCOOH"	44.998194
"361956"	601.447401	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+HCOOH-H"	44.998201
"346205"	615.463051	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+Hac-H"	59.013851
"1493578"	337.238451	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Hac-H"	59.013851
"959663"	345.204751	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-H+NaCOOH"	66.980151
"110511"	313.194002	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+2Cl"	69.938804
"550067"	452.306302	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+2Cl"	69.938804
"1021787"	174.081702	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2Cl"	69.938804
"1243436"	357.143485	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Br"	78.918885
"1313548"	359.199472	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Cl+HCOOH"	80.974872
"1327763"	381.181429	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Cl+NaCOOH"	102.956829
"914081"	391.210186	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M-H+CF3COOH"	112.985586
"1291884"	427.186864	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Cl+CF3COOH"	148.962264
"1367733"	243.211924	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H-2H2O"	-35.012676
"1383408"	261.2219	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H-H2O"	-17.0027
"283459"	557.456476	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+H"	1.007276
"675878"	835.681076	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+H"	1.007276
"1355638"	279.231876	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H"	1.007276
"127310"	279.231876	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+2H"	2.014552
"566744"	418.344176	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+2H"	2.014552
"1040895"	140.119576	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2H"	2.014552
"205879"	186.490342666667	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+3H"	3.021828
"646540"	279.231876	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+3H"	3.021828
"1166120"	93.7488093333333	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+3H"	3.021828
"428668"	574.483023	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+NH4"	18.033823
"786867"	852.707623	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+NH4"	18.033823
"1682223"	296.258423	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+NH4"	18.033823
"334274"	287.7451495	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+H+NH4"	19.041099
"731077"	426.8574495	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+H+NH4"	19.041099
"1482707"	148.6328495	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H+NH4"	19.041099
"399203"	579.438418	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+Na"	22.989218
"761292"	857.663018	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+Na"	22.989218
"1618297"	301.213818	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Na"	22.989218
"324894"	290.222847	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+H+Na"	23.996494
"722509"	429.335147	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+H+Na"	23.996494
"1476891"	151.110547	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H+Na"	23.996494
"1068276"	101.076123333333	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2H+Na"	25.00377
"1272267"	311.258086	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+CH3OH+H"	33.033486
"389009"	595.412358	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+K"	38.963158
"744537"	873.636958	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+K"	38.963158
"1543321"	317.187758	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+K"	38.963158
"301589"	298.209817	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+H+K"	39.970434
"695104"	437.322117	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+H+K"	39.970434
"1448193"	159.097517	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H+K"	39.970434
"238251"	598.483026	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+ACN+H"	42.033826
"1221170"	320.258426	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+ACN+H"	42.033826
"1203960"	160.632851	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+ACN+2H"	43.041102
"197924"	601.42036	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+2Na-H"	44.97116
"638576"	879.64496	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+2Na-H"	44.97116
"1142812"	323.19576	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2Na-H"	44.97116
"180996"	301.213818	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+2Na"	45.978436
"620555"	440.326118	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+2Na"	45.978436
"1120779"	162.101518	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2Na"	45.978436
"1399683"	108.403437333333	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H+2Na"	46.985712
"1433497"	325.237346	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H+HCOOH"	47.012746
"226116"	306.24684	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+3H2O+2H"	56.04448
"1522927"	339.28939	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+H"	61.06479
"417148"	309.200788	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+Na+K"	61.952376
"771705"	448.313088	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+Na+K"	61.952376
"1668035"	170.088488	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Na+K"	61.952376
"255165"	620.464968	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+ACN+Na"	64.015768
"1230425"	342.240368	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+ACN+Na"	64.015768
"1717489"	342.263893	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+NH4+HCOOH"	64.039293
"1183578"	115.730751333333	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+3Na"	68.967654
"1663318"	347.219288	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Na+HCOOH"	68.994688
"170175"	633.36824	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+2K-H"	76.91904
"611927"	911.59284	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+2K-H"	76.91904
"1099437"	355.14364	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2K-H"	76.91904
"156905"	317.187758	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"2M+2K"	77.926316
"593908"	456.300058	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"3M+2K"	77.926316
"1083287"	178.075458	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2K"	77.926316
"1114552"	357.158192	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2K+H"	78.933592
"1345829"	357.245807	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+DMSO+H"	79.021207
"1016544"	361.284976	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2ACN+H"	83.060376
"1536855"	362.278608	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+IsoProp+Na+H"	84.054008
"1001117"	181.146126	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+2ACN+2H"	84.067652
"1600726"	363.193228	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+K+HCOOH"	84.968628
"1428940"	393.224738	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+H+CF3COOH"	115.000138
"1160319"	201.659401	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+3ACN+2H"	125.094202
"1711691"	410.251285	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+NH4+CF3COOH"	132.026685
"1644423"	415.20668	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+Na+CF3COOH"	136.98208
"1585543"	431.18062	"C08364"	"Punicic acid;cis-9trans-11cis-13-Octadecatrienoic acid;Trichosanic acid"	"C18H30O2"	"278.2246"	"M+K+CF3COOH"	152.95602
"806066"	298.2508	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M"	0
"986160"	279.23241	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-H2O-H"	-19.01839
"65654"	197.826590666667	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M-3H"	-3.021828
"506307"	297.243524	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M-3H"	-3.021828
"883014"	98.4096573333333	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-3H"	-3.021828
"1592"	297.243524	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M-2H"	-2.014552
"444432"	446.368924	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M-2H"	-2.014552
"822235"	148.118124	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-2H"	-2.014552
"85510"	595.494324	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M-H"	-1.007276
"526163"	893.745124	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M-H"	-1.007276
"899225"	297.243524	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-H"	-1.007276
"56153"	612.520871	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M-2H+NH4"	16.019271
"491339"	910.771671	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M-2H+NH4"	16.019271
"865613"	314.270071	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-2H+NH4"	16.019271
"33148"	617.476266	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M-2H+Na"	20.974666
"479889"	915.727066	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M-2H+Na"	20.974666
"850038"	319.225466	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-2H+Na"	20.974666
"1619573"	319.225466	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Na-2H"	20.974666
"94761"	315.231863	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M-H+Cl"	33.962126
"538945"	464.357263	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M-H+Cl"	33.962126
"933555"	166.106463	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-H+Cl"	33.962126
"274298"	631.471002	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+Cl"	34.969402
"665627"	929.721802	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+Cl"	34.969402
"1280217"	333.220202	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Cl"	34.969402
"18399"	633.450206	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M-2H+K"	36.948606
"459418"	931.701006	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M-2H+K"	36.948606
"837949"	335.199406	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-2H+K"	36.948606
"1556570"	335.199406	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+K-2H"	36.948606
"943035"	343.248994	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-H+HCOOH"	44.998194
"362797"	641.499801	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+HCOOH-H"	44.998201
"347044"	655.515451	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+Hac-H"	59.013851
"1494418"	357.264651	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Hac-H"	59.013851
"959774"	365.230951	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-H+NaCOOH"	66.980151
"110067"	333.220202	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+2Cl"	69.938804
"550223"	482.345602	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+2Cl"	69.938804
"1021533"	184.094802	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2Cl"	69.938804
"1241762"	377.169685	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Br"	78.918885
"1315845"	379.225672	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Cl+HCOOH"	80.974872
"1330061"	401.207629	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Cl+NaCOOH"	102.956829
"914191"	411.236386	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M-H+CF3COOH"	112.985586
"1292358"	447.213064	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Cl+CF3COOH"	148.962264
"1367479"	263.238124	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H-2H2O"	-35.012676
"1384735"	281.2481	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H-H2O"	-17.0027
"283164"	597.508876	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+H"	1.007276
"675689"	895.759676	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+H"	1.007276
"1354289"	299.258076	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H"	1.007276
"126447"	299.258076	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+2H"	2.014552
"566367"	448.383476	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+2H"	2.014552
"1040277"	150.132676	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2H"	2.014552
"206355"	199.841142666667	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+3H"	3.021828
"645921"	299.258076	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+3H"	3.021828
"1164408"	100.424209333333	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+3H"	3.021828
"432058"	614.535423	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+NH4"	18.033823
"786857"	912.786223	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+NH4"	18.033823
"1681728"	316.284623	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+NH4"	18.033823
"335478"	307.7713495	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+H+NH4"	19.041099
"732280"	456.8967495	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+H+NH4"	19.041099
"1485003"	158.6459495	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H+NH4"	19.041099
"400407"	619.490818	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+Na"	22.989218
"762494"	917.741618	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+Na"	22.989218
"1617643"	321.240018	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Na"	22.989218
"325004"	310.249047	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+H+Na"	23.996494
"720829"	459.374447	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+H+Na"	23.996494
"1476880"	161.123647	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H+Na"	23.996494
"1066676"	107.751523333333	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2H+Na"	25.00377
"1272649"	331.284286	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+CH3OH+H"	33.033486
"391307"	635.464758	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+K"	38.963158
"747927"	933.715558	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+K"	38.963158
"1543432"	337.213958	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+K"	38.963158
"304982"	318.236017	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+H+K"	39.970434
"699589"	467.361417	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+H+K"	39.970434
"1454503"	169.110617	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H+K"	39.970434
"244198"	638.535426	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+ACN+H"	42.033826
"1218000"	340.284626	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+ACN+H"	42.033826
"1207714"	170.645951	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+ACN+2H"	43.041102
"201311"	641.47276	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+2Na-H"	44.97116
"639777"	939.72356	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+2Na-H"	44.97116
"1145231"	343.22196	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2Na-H"	44.97116
"182929"	321.240018	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+2Na"	45.978436
"622488"	470.365418	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+2Na"	45.978436
"1120889"	172.114618	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2Na"	45.978436
"1399308"	115.078837333333	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H+2Na"	46.985712
"1433970"	345.263546	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H+HCOOH"	47.012746
"226226"	326.27304	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+3H2O+2H"	56.04448
"1516476"	359.31559	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+IsoProp+H"	61.06479
"416165"	329.226988	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+Na+K"	61.952376
"771330"	478.352388	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+Na+K"	61.952376
"1666323"	180.101588	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Na+K"	61.952376
"256735"	660.517368	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+ACN+Na"	64.015768
"1229078"	362.266568	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+ACN+Na"	64.015768
"1717963"	362.290093	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+NH4+HCOOH"	64.039293
"1184781"	122.406151333333	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+3Na"	68.967654
"1664519"	367.245488	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Na+HCOOH"	68.994688
"171378"	673.42064	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+2K-H"	76.91904
"612037"	971.67144	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+2K-H"	76.91904
"1098737"	375.16984	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2K-H"	76.91904
"157014"	337.213958	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"2M+2K"	77.926316
"594747"	486.339358	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"3M+2K"	77.926316
"1083970"	188.088558	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2K"	77.926316
"1115268"	377.184392	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2K+H"	78.933592
"1345938"	377.272007	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+DMSO+H"	79.021207
"1016654"	381.311176	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2ACN+H"	83.060376
"1535872"	382.304808	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+IsoProp+Na+H"	84.054008
"1000134"	191.159226	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+2ACN+2H"	84.067652
"1601200"	383.219428	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+K+HCOOH"	84.968628
"1429048"	413.250938	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+H+CF3COOH"	115.000138
"1159334"	211.672501	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+3ACN+2H"	125.094202
"1711436"	430.277485	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+NH4+CF3COOH"	132.026685
"1641253"	435.23288	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+Na+CF3COOH"	136.98208
"1585653"	451.20682	"C08365"	"Ricinoleic acid;(9Z)-(12R)-Hydroxyoctadecenoic acid;12-Hydroxy-9-octadecenoic acid;12-Hydroxy-cis-9-octadecenoic acid"	"C18H34O3"	"298.2508"	"M+K+CF3COOH"	152.95602
"802896"	294.2559	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M"	0
"982990"	275.23751	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-H2O-H"	-19.01839
"66857"	195.163324	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M-3H"	-3.021828
"506417"	293.248624	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M-3H"	-3.021828
"882029"	97.078024	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-3H"	-3.021828
"730"	293.248624	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M-2H"	-2.014552
"444542"	440.376574	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M-2H"	-2.014552
"821252"	146.120674	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-2H"	-2.014552
"85620"	587.504524	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M-H"	-1.007276
"525180"	881.760424	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M-H"	-1.007276
"901887"	293.248624	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-H"	-1.007276
"55170"	604.531071	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M-2H+NH4"	16.019271
"492543"	898.786971	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M-2H+NH4"	16.019271
"864994"	310.275171	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-2H+NH4"	16.019271
"32652"	609.486466	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M-2H+Na"	20.974666
"479999"	903.742366	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M-2H+Na"	20.974666
"850146"	315.230566	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-2H+Na"	20.974666
"1620412"	315.230566	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Na-2H"	20.974666
"94464"	311.236963	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M-H+Cl"	33.962126
"542336"	458.364913	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M-H+Cl"	33.962126
"932572"	164.109013	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-H+Cl"	33.962126
"272221"	623.481202	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+Cl"	34.969402
"669017"	917.737102	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+Cl"	34.969402
"1278140"	329.225302	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Cl"	34.969402
"15953"	625.460406	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M-2H+K"	36.948606
"459528"	919.716306	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M-2H+K"	36.948606
"837330"	331.204506	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-2H+K"	36.948606
"1556113"	331.204506	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+K-2H"	36.948606
"943226"	339.254094	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-H+HCOOH"	44.998194
"361576"	633.510001	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+HCOOH-H"	44.998201
"345708"	647.525651	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+Hac-H"	59.013851
"1492787"	353.269751	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Hac-H"	59.013851
"959883"	361.236051	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-H+NaCOOH"	66.980151
"110114"	329.225302	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+2Cl"	69.938804
"550048"	476.353252	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+2Cl"	69.938804
"1021371"	182.097352	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2Cl"	69.938804
"1242193"	373.174785	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Br"	78.918885
"1312675"	375.230772	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Cl+HCOOH"	80.974872
"1326891"	397.212729	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Cl+NaCOOH"	102.956829
"914301"	407.241486	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M-H+CF3COOH"	112.985586
"1288775"	443.218164	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Cl+CF3COOH"	148.962264
"1367145"	259.243224	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H-2H2O"	-35.012676
"1383138"	277.2532	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H-H2O"	-17.0027
"283141"	589.519076	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+H"	1.007276
"675739"	883.774976	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+H"	1.007276
"1353306"	295.263176	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H"	1.007276
"126435"	295.263176	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+2H"	2.014552
"565942"	442.391126	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+2H"	2.014552
"1039292"	148.135226	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2H"	2.014552
"207557"	197.177876	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+3H"	3.021828
"647124"	295.263176	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+3H"	3.021828
"1164884"	99.092576	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+3H"	3.021828
"433261"	606.545623	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+NH4"	18.033823
"787695"	900.801523	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+NH4"	18.033823
"1682081"	312.289723	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+NH4"	18.033823
"336681"	303.7764495	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+H+NH4"	19.041099
"732388"	450.9043995	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+H+NH4"	19.041099
"1489120"	156.6484995	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H+NH4"	19.041099
"402696"	611.501018	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+Na"	22.989218
"760411"	905.756918	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+Na"	22.989218
"1611789"	317.245118	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Na"	22.989218
"322924"	306.254147	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+H+Na"	23.996494
"715344"	453.382097	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+H+Na"	23.996494
"1465881"	159.126197	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H+Na"	23.996494
"1058035"	106.41989	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2H+Na"	25.00377
"1271023"	327.289386	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+CH3OH+H"	33.033486
"391415"	627.474958	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+K"	38.963158
"748037"	921.730858	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+K"	38.963158
"1553020"	333.219058	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+K"	38.963158
"310559"	314.241117	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+H+K"	39.970434
"702978"	461.369067	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+H+K"	39.970434
"1460442"	167.113167	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H+K"	39.970434
"248678"	630.545626	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+ACN+H"	42.033826
"1220292"	336.289726	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+ACN+H"	42.033826
"1208672"	168.648501	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+ACN+2H"	43.041102
"201787"	633.48296	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+2Na-H"	44.97116
"641710"	927.73886	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+2Na-H"	44.97116
"1141575"	339.22706	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2Na-H"	44.97116
"184497"	317.245118	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+2Na"	45.978436
"622234"	464.373068	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+2Na"	45.978436
"1123185"	170.117168	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2Na"	45.978436
"1400507"	113.747204	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H+2Na"	46.985712
"1433716"	341.268646	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H+HCOOH"	47.012746
"228158"	322.27814	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+3H2O+2H"	56.04448
"1518408"	355.32069	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+IsoProp+H"	61.06479
"414088"	325.232088	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+Na+K"	61.952376
"771804"	472.360038	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+Na+K"	61.952376
"1667039"	178.104138	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Na+K"	61.952376
"252103"	652.527568	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+ACN+Na"	64.015768
"1228456"	358.271668	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+ACN+Na"	64.015768
"1714062"	358.295193	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+NH4+HCOOH"	64.039293
"1185984"	121.074518	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+3Na"	68.967654
"1662443"	363.250588	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Na+HCOOH"	68.994688
"170395"	665.43084	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+2K-H"	76.91904
"612147"	959.68674	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+2K-H"	76.91904
"1096659"	371.17494	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2K-H"	76.91904
"154569"	333.219058	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"2M+2K"	77.926316
"591942"	480.347008	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"3M+2K"	77.926316
"1083628"	186.091108	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2K"	77.926316
"1115560"	373.189492	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2K+H"	78.933592
"1348235"	373.277107	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+DMSO+H"	79.021207
"1017857"	377.316276	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2ACN+H"	83.060376
"1534889"	378.309908	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+IsoProp+Na+H"	84.054008
"1003282"	189.161776	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+2ACN+2H"	84.067652
"1599119"	379.224528	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+K+HCOOH"	84.968628
"1429807"	409.256038	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+H+CF3COOH"	115.000138
"1160537"	209.675051	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+3ACN+2H"	125.094202
"1711546"	426.282585	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+NH4+CF3COOH"	132.026685
"1641363"	431.23798	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+Na+CF3COOH"	136.98208
"1585763"	447.21192	"C08366"	"Sterculic acid"	"C19H34O2"	"294.2559"	"M+K+CF3COOH"	152.95602
"812847"	282.2559	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M"	0
"986380"	263.23751	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H2O-H"	-19.01839
"75715"	187.163324	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-3H"	-3.021828
"510901"	281.248624	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-3H"	-3.021828
"881897"	93.078024	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-3H"	-3.021828
"9467"	281.248624	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H"	-2.014552
"445745"	422.376574	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H"	-2.014552
"825737"	140.120674	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H"	-2.014552
"84637"	563.504524	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-H"	-1.007276
"525289"	845.760424	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-H"	-1.007276
"903091"	281.248624	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H"	-1.007276
"51999"	580.531071	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H+NH4"	16.019271
"490101"	862.786971	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H+NH4"	16.019271
"866807"	298.275171	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H+NH4"	16.019271
"34707"	585.486466	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H+Na"	20.974666
"480109"	867.742366	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H+Na"	20.974666
"851355"	303.230566	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H+Na"	20.974666
"1619794"	303.230566	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na-2H"	20.974666
"98511"	299.236963	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-H+Cl"	33.962126
"547914"	440.364913	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-H+Cl"	33.962126
"932682"	158.109013	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+Cl"	33.962126
"270146"	599.481202	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Cl"	34.969402
"663660"	881.737102	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+Cl"	34.969402
"1276065"	317.225302	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl"	34.969402
"19713"	601.460406	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M-2H+K"	36.948606
"464742"	883.716306	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M-2H+K"	36.948606
"840355"	319.204506	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-2H+K"	36.948606
"1556064"	319.204506	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K-2H"	36.948606
"943054"	327.254094	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+HCOOH"	44.998194
"362284"	609.510001	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+HCOOH-H"	44.998201
"348360"	623.525651	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Hac-H"	59.013851
"1492939"	341.269751	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Hac-H"	59.013851
"961453"	349.236051	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+NaCOOH"	66.980151
"110963"	317.225302	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2Cl"	69.938804
"551012"	458.353252	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2Cl"	69.938804
"1021873"	176.097352	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2Cl"	69.938804
"1242178"	361.174785	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Br"	78.918885
"1308772"	363.230772	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl+HCOOH"	80.974872
"1321894"	385.212729	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl+NaCOOH"	102.956829
"914776"	395.241486	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M-H+CF3COOH"	112.985586
"1289540"	431.218164	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Cl+CF3COOH"	148.962264
"1367574"	247.243224	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H-2H2O"	-35.012676
"1383978"	265.2532	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H-H2O"	-17.0027
"283420"	565.519076	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H"	1.007276
"676817"	847.774976	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H"	1.007276
"1356700"	283.263176	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H"	1.007276
"127278"	283.263176	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2H"	2.014552
"566589"	424.391126	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2H"	2.014552
"1039036"	142.135226	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2H"	2.014552
"205845"	189.177876	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+3H"	3.021828
"651974"	283.263176	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+3H"	3.021828
"1170099"	95.092576	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+3H"	3.021828
"431184"	582.545623	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+NH4"	18.033823
"792180"	864.801523	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+NH4"	18.033823
"1685232"	300.289723	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+NH4"	18.033823
"336791"	291.7764495	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H+NH4"	19.041099
"729220"	432.9043995	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H+NH4"	19.041099
"1489594"	150.6484995	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+NH4"	19.041099
"403900"	587.501018	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Na"	22.989218
"760521"	869.756918	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+Na"	22.989218
"1611900"	305.245118	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na"	22.989218
"321938"	294.254147	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H+Na"	23.996494
"717641"	435.382097	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H+Na"	23.996494
"1469273"	153.126197	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+Na"	23.996494
"1061427"	102.41989	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2H+Na"	25.00377
"1272107"	315.289386	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+CH3OH+H"	33.033486
"391527"	603.474958	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+K"	38.963158
"748147"	885.730858	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+K"	38.963158
"1552763"	321.219058	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K"	38.963158
"310667"	302.241117	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+H+K"	39.970434
"704181"	443.369067	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+H+K"	39.970434
"1455812"	161.113167	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+K"	39.970434
"248425"	606.545626	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+ACN+H"	42.033826
"1223685"	324.289726	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+ACN+H"	42.033826
"1207931"	162.648501	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+ACN+2H"	43.041102
"202260"	609.48296	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2Na-H"	44.97116
"638544"	891.73886	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2Na-H"	44.97116
"1143142"	327.22706	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2Na-H"	44.97116
"184610"	305.245118	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2Na"	45.978436
"623438"	446.373068	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2Na"	45.978436
"1120016"	164.117168	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2Na"	45.978436
"1400257"	109.747204	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+2Na"	46.985712
"1432370"	329.268646	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+HCOOH"	47.012746
"230457"	310.27814	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+3H2O+2H"	56.04448
"1516696"	343.32069	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+H"	61.06479
"415292"	313.232088	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+Na+K"	61.952376
"772277"	454.360038	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+Na+K"	61.952376
"1667270"	172.104138	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na+K"	61.952376
"252697"	628.527568	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+ACN+Na"	64.015768
"1228569"	346.271668	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+ACN+Na"	64.015768
"1715632"	346.295193	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+NH4+HCOOH"	64.039293
"1183908"	117.074518	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+3Na"	68.967654
"1662553"	351.250588	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na+HCOOH"	68.994688
"170505"	641.43084	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2K-H"	76.91904
"611771"	923.68674	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2K-H"	76.91904
"1098715"	359.17494	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2K-H"	76.91904
"156502"	321.219058	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"2M+2K"	77.926316
"596431"	462.347008	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"3M+2K"	77.926316
"1079854"	180.091108	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2K"	77.926316
"1113425"	361.189492	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2K+H"	78.933592
"1350054"	361.277107	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+DMSO+H"	79.021207
"1017969"	365.316276	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2ACN+H"	83.060376
"1533905"	366.309908	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+Na+H"	84.054008
"1004001"	183.161776	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+2ACN+2H"	84.067652
"1600324"	367.224528	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K+HCOOH"	84.968628
"1427085"	397.256038	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+H+CF3COOH"	115.000138
"1162602"	203.675051	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+3ACN+2H"	125.094202
"1711292"	414.282585	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+NH4+CF3COOH"	132.026685
"1644753"	419.23798	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+Na+CF3COOH"	136.98208
"1585873"	435.21192	"C08367"	"(11E)-Octadecenoic acid;Vaccenic acid;trans-11-Octadecenoic acid"	"C18H34O2"	"282.2559"	"M+K+CF3COOH"	152.95602
"806396"	296.2351	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M"	0
"979929"	277.21671	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-H2O-H"	-19.01839
"62885"	196.482790666667	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M-3H"	-3.021828
"503598"	295.227824	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M-3H"	-3.021828
"881159"	97.7377573333333	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-3H"	-3.021828
"8484"	295.227824	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H"	-2.014552
"443669"	443.345374	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H"	-2.014552
"825847"	147.110274	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H"	-2.014552
"88027"	591.462924	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M-H"	-1.007276
"526493"	887.698024	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M-H"	-1.007276
"902108"	295.227824	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-H"	-1.007276
"50652"	608.489471	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+NH4"	16.019271
"490576"	904.724571	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+NH4"	16.019271
"866188"	312.254371	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+NH4"	16.019271
"33114"	613.444866	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+Na"	20.974666
"480219"	909.679966	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+Na"	20.974666
"860213"	317.209766	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+Na"	20.974666
"1628652"	317.209766	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na-2H"	20.974666
"104089"	313.216163	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M-H+Cl"	33.962126
"542556"	461.333713	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M-H+Cl"	33.962126
"932792"	165.098613	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+Cl"	33.962126
"277910"	627.439602	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Cl"	34.969402
"662677"	923.674702	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Cl"	34.969402
"1281642"	331.204502	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl"	34.969402
"20916"	629.418806	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+K"	36.948606
"467039"	925.653906	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+K"	36.948606
"840465"	333.183706	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+K"	36.948606
"1557393"	333.183706	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+K-2H"	36.948606
"943087"	341.233294	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+HCOOH"	44.998194
"362393"	637.468401	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+HCOOH-H"	44.998201
"349563"	651.484051	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Hac-H"	59.013851
"1492793"	355.248951	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Hac-H"	59.013851
"960835"	363.215251	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+NaCOOH"	66.980151
"111195"	331.204502	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Cl"	69.938804
"551486"	479.322052	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Cl"	69.938804
"1021739"	183.086952	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Cl"	69.938804
"1242532"	375.153985	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Br"	78.918885
"1307058"	377.209972	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+HCOOH"	80.974872
"1322365"	399.191929	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+NaCOOH"	102.956829
"914885"	409.220686	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+CF3COOH"	112.985586
"1291229"	445.197364	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+CF3COOH"	148.962264
"1368660"	261.222424	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H-2H2O"	-35.012676
"1384333"	279.2324	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H-H2O"	-17.0027
"283491"	593.477476	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H"	1.007276
"675668"	889.712576	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H"	1.007276
"1355717"	297.242376	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H"	1.007276
"126779"	297.242376	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2H"	2.014552
"565849"	445.359926	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2H"	2.014552
"1038417"	149.124826	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2H"	2.014552
"204982"	198.497342666667	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+3H"	3.021828
"653177"	297.242376	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+3H"	3.021828
"1169116"	99.7523093333333	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+3H"	3.021828
"428014"	610.504023	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+NH4"	18.033823
"792290"	906.739123	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+NH4"	18.033823
"1686435"	314.268923	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4"	18.033823
"333621"	305.7556495	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+NH4"	19.041099
"732608"	453.8731995	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+NH4"	19.041099
"1488611"	157.6380995	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+NH4"	19.041099
"404009"	615.459418	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Na"	22.989218
"760631"	911.694518	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Na"	22.989218
"1613103"	319.224318	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na"	22.989218
"324234"	308.233347	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+Na"	23.996494
"711187"	456.350897	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+Na"	23.996494
"1466101"	160.115797	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+Na"	23.996494
"1062630"	107.079623333333	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2H+Na"	25.00377
"1272536"	329.268586	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+CH3OH+H"	33.033486
"392806"	631.433358	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+K"	38.963158
"746070"	927.668458	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+K"	38.963158
"1554090"	335.198258	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+K"	38.963158
"312600"	316.220317	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+K"	39.970434
"705384"	464.337867	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+K"	39.970434
"1453735"	168.102767	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+K"	39.970434
"247805"	634.504026	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+H"	42.033826
"1224281"	338.268926	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+H"	42.033826
"1207676"	169.638101	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+2H"	43.041102
"203463"	637.44136	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Na-H"	44.97116
"641206"	933.67646	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Na-H"	44.97116
"1145078"	341.20626	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Na-H"	44.97116
"187150"	319.224318	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Na"	45.978436
"623912"	467.341868	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Na"	45.978436
"1119033"	171.106768	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Na"	45.978436
"1401462"	114.406937333333	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+2Na"	46.985712
"1432476"	343.247846	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+HCOOH"	47.012746
"230567"	324.25734	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+3H2O+2H"	56.04448
"1516806"	357.29989	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+H"	61.06479
"418682"	327.211288	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Na+K"	61.952376
"772024"	475.328838	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Na+K"	61.952376
"1666246"	179.093738	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+K"	61.952376
"251998"	656.485968	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+Na"	64.015768
"1228315"	360.250868	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+Na"	64.015768
"1715014"	360.274393	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4+HCOOH"	64.039293
"1188393"	121.734251333333	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+3Na"	68.967654
"1664242"	365.229788	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+HCOOH"	68.994688
"169522"	669.38924	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2K-H"	76.91904
"611882"	965.62434	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2K-H"	76.91904
"1098462"	373.15414	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K-H"	76.91904
"156011"	335.198258	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2K"	77.926316
"595692"	483.315808	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2K"	77.926316
"1077050"	187.080708	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K"	77.926316
"1112080"	375.168692	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K+H"	78.933592
"1348586"	375.256307	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+DMSO+H"	79.021207
"1020023"	379.295476	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+H"	83.060376
"1535109"	380.289108	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+Na+H"	84.054008
"1003017"	190.151376	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+2H"	84.067652
"1600434"	381.203728	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+K+HCOOH"	84.968628
"1427559"	411.235238	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+CF3COOH"	115.000138
"1162219"	210.664651	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+3ACN+2H"	125.094202
"1711403"	428.261785	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4+CF3COOH"	132.026685
"1644863"	433.21718	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+CF3COOH"	136.98208
"1585983"	449.19112	"C08368"	"Vernolic acid;(9Z)-(12S13R)-1213-Epoxyoctadecenoic acid;cis-1213-Epoxy-cis-9-octadecenoic acid"	"C18H32O3"	"296.2351"	"M+K+CF3COOH"	152.95602
"806506"	146.0224	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M"	0
"980039"	127.00401	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-H2O-H"	-19.01839
"62994"	96.3409906666667	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M-3H"	-3.021828
"504556"	145.015124	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M-3H"	-3.021828
"880027"	47.6668573333333	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-3H"	-3.021828
"4219"	145.015124	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M-2H"	-2.014552
"445965"	218.026324	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M-2H"	-2.014552
"825957"	72.003924	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-2H"	-2.014552
"89230"	291.037524	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M-H"	-1.007276
"525510"	437.059924	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M-H"	-1.007276
"900031"	145.015124	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-H"	-1.007276
"49669"	308.064071	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M-2H+NH4"	16.019271
"496154"	454.086471	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M-2H+NH4"	16.019271
"865326"	162.041671	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-2H+NH4"	16.019271
"32130"	313.019466	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M-2H+Na"	20.974666
"480329"	459.041866	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M-2H+Na"	20.974666
"861416"	166.997066	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-2H+Na"	20.974666
"1625482"	166.997066	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Na-2H"	20.974666
"100919"	163.003463	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M-H+Cl"	33.962126
"542666"	236.014663	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M-H+Cl"	33.962126
"932902"	89.992263	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-H+Cl"	33.962126
"274740"	327.014202	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+Cl"	34.969402
"662787"	473.036602	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+Cl"	34.969402
"1281752"	180.991802	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Cl"	34.969402
"18839"	328.993406	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M-2H+K"	36.948606
"467149"	475.015806	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M-2H+K"	36.948606
"840575"	182.971006	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-2H+K"	36.948606
"1556407"	182.971006	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+K-2H"	36.948606
"943194"	191.020594	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-H+HCOOH"	44.998194
"361603"	337.043001	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+HCOOH-H"	44.998201
"349673"	351.058651	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+Hac-H"	59.013851
"1492846"	205.036251	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Hac-H"	59.013851
"961674"	213.002551	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-H+NaCOOH"	66.980151
"110575"	180.991802	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+2Cl"	69.938804
"550869"	254.003002	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+2Cl"	69.938804
"1021766"	107.980602	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2Cl"	69.938804
"1242521"	224.941285	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Br"	78.918885
"1305828"	226.997272	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Cl+HCOOH"	80.974872
"1321137"	248.979229	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Cl+NaCOOH"	102.956829
"914995"	259.007986	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M-H+CF3COOH"	112.985586
"1290976"	294.984664	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Cl+CF3COOH"	148.962264
"1369501"	111.009724	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H-2H2O"	-35.012676
"1384807"	129.0197	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H-H2O"	-17.0027
"283765"	293.052076	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+H"	1.007276
"676064"	439.074476	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+H"	1.007276
"1356920"	147.029676	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H"	1.007276
"126281"	147.029676	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+2H"	2.014552
"565741"	220.040876	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+2H"	2.014552
"1037432"	74.018476	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2H"	2.014552
"204290"	98.3555426666667	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+3H"	3.021828
"652194"	147.029676	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+3H"	3.021828
"1169225"	49.6814093333333	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+3H"	3.021828
"428124"	310.078623	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+NH4"	18.033823
"790213"	456.101023	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+NH4"	18.033823
"1685452"	164.056223	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+NH4"	18.033823
"330014"	155.5429495	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+H+NH4"	19.041099
"732718"	228.5541495	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+H+NH4"	19.041099
"1487627"	82.5317495	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H+NH4"	19.041099
"401933"	315.034018	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+Na"	22.989218
"760741"	461.056418	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+Na"	22.989218
"1613213"	169.011618	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Na"	22.989218
"317781"	158.020647	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+H+Na"	23.996494
"716764"	231.031847	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+H+Na"	23.996494
"1466211"	85.009447	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H+Na"	23.996494
"1064927"	57.0087233333333	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2H+Na"	25.00377
"1272716"	179.055886	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+CH3OH+H"	33.033486
"392729"	331.007958	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+K"	38.963158
"746180"	477.030358	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+K"	38.963158
"1554440"	184.985558	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+K"	38.963158
"310887"	166.007617	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+H+K"	39.970434
"705130"	239.018817	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+H+K"	39.970434
"1453845"	92.996417	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H+K"	39.970434
"248644"	334.078626	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+ACN+H"	42.033826
"1222814"	188.056226	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+ACN+H"	42.033826
"1207786"	94.531751	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+ACN+2H"	43.041102
"202843"	337.01596	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+2Na-H"	44.97116
"639858"	483.03836	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+2Na-H"	44.97116
"1145186"	190.99356	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2Na-H"	44.97116
"186288"	169.011618	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+2Na"	45.978436
"622929"	242.022818	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+2Na"	45.978436
"1119143"	96.000418	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2Na"	45.978436
"1401572"	64.3360373333333	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H+2Na"	46.985712
"1430887"	193.035146	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H+HCOOH"	47.012746
"225573"	174.04464	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+3H2O+2H"	56.04448
"1515823"	207.08719	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+IsoProp+H"	61.06479
"416606"	176.998588	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+Na+K"	61.952376
"774321"	250.009788	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+Na+K"	61.952376
"1666396"	103.987388	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Na+K"	61.952376
"252191"	356.060568	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+ACN+Na"	64.015768
"1228425"	210.038168	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+ACN+Na"	64.015768
"1715488"	210.061693	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+NH4+HCOOH"	64.039293
"1190689"	71.6633513333333	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+3Na"	68.967654
"1665203"	215.017088	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Na+HCOOH"	68.994688
"170725"	368.96384	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+2K-H"	76.91904
"612601"	514.98624	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+2K-H"	76.91904
"1099625"	222.94144	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2K-H"	76.91904
"155751"	184.985558	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"2M+2K"	77.926316
"596531"	257.996758	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"3M+2K"	77.926316
"1081897"	111.974358	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2K"	77.926316
"1114135"	224.955992	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2K+H"	78.933592
"1350395"	225.043607	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+DMSO+H"	79.021207
"1018189"	229.082776	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2ACN+H"	83.060376
"1538865"	230.076408	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+IsoProp+Na+H"	84.054008
"1003855"	115.045026	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+2ACN+2H"	84.067652
"1598355"	230.991028	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+K+HCOOH"	84.968628
"1428762"	261.022538	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+H+CF3COOH"	115.000138
"1161600"	135.558301	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+3ACN+2H"	125.094202
"1711755"	278.049085	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+NH4+CF3COOH"	132.026685
"1644973"	283.00448	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+Na+CF3COOH"	136.98208
"1586093"	298.97842	"C08369"	"Diallyl disulfide"	"C6H10S2"	"146.0224"	"M+K+CF3COOH"	152.95602
"806616"	114.0503	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M"	0
"983429"	95.03191	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-H2O-H"	-19.01839
"64015"	75.0262573333333	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M-3H"	-3.021828
"503083"	113.043024	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M-3H"	-3.021828
"881012"	37.0094906666667	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-3H"	-3.021828
"5422"	113.043024	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M-2H"	-2.014552
"446075"	170.068174	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M-2H"	-2.014552
"827163"	56.017874	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-2H"	-2.014552
"88249"	227.093324	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M-H"	-1.007276
"523434"	341.143624	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M-H"	-1.007276
"901235"	113.043024	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-H"	-1.007276
"50143"	244.119871	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M-2H+NH4"	16.019271
"495171"	358.170171	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M-2H+NH4"	16.019271
"864950"	130.069571	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-2H+NH4"	16.019271
"31877"	249.075266	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M-2H+Na"	20.974666
"480439"	363.125566	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M-2H+Na"	20.974666
"860433"	135.024966	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-2H+Na"	20.974666
"1625592"	135.024966	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Na-2H"	20.974666
"102122"	131.031363	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M-H+Cl"	33.962126
"542776"	188.056513	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M-H+Cl"	33.962126
"933012"	74.006213	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-H+Cl"	33.962126
"270476"	263.070002	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+Cl"	34.969402
"661073"	377.120302	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+Cl"	34.969402
"1281862"	149.019702	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Cl"	34.969402
"20042"	265.049206	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M-2H+K"	36.948606
"466166"	379.099506	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M-2H+K"	36.948606
"839591"	150.998906	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-2H+K"	36.948606
"1558705"	150.998906	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+K-2H"	36.948606
"943385"	159.048494	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-H+HCOOH"	44.998194
"361798"	273.098801	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+HCOOH-H"	44.998201
"350876"	287.114451	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+Hac-H"	59.013851
"1492813"	173.064151	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Hac-H"	59.013851
"961784"	181.030451	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-H+NaCOOH"	66.980151
"110198"	149.019702	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+2Cl"	69.938804
"550059"	206.044852	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+2Cl"	69.938804
"1021839"	91.994552	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2Cl"	69.938804
"1242632"	192.969185	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Br"	78.918885
"1305209"	195.025172	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Cl+HCOOH"	80.974872
"1321126"	217.007129	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Cl+NaCOOH"	102.956829
"916199"	227.035886	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M-H+CF3COOH"	112.985586
"1291086"	263.012564	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Cl+CF3COOH"	148.962264
"1369610"	79.037624	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H-2H2O"	-35.012676
"1385281"	97.0476	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H-H2O"	-17.0027
"285697"	229.107876	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+H"	1.007276
"676297"	343.158176	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+H"	1.007276
"1354843"	115.057576	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H"	1.007276
"127365"	115.057576	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+2H"	2.014552
"566314"	172.082726	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+2H"	2.014552
"1037500"	58.032426	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2H"	2.014552
"204753"	77.0408093333333	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+3H"	3.021828
"650117"	115.057576	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+3H"	3.021828
"1167149"	39.0240426666667	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+3H"	3.021828
"424465"	246.134423	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+NH4"	18.033823
"787043"	360.184723	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+NH4"	18.033823
"1684468"	132.084123	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+NH4"	18.033823
"330233"	123.5708495	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+H+NH4"	19.041099
"733921"	180.5959995	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+H+NH4"	19.041099
"1486644"	66.5456995	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H+NH4"	19.041099
"398763"	251.089818	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+Na"	22.989218
"760851"	365.140118	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+Na"	22.989218
"1610043"	137.039518	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Na"	22.989218
"315705"	126.048547	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+H+Na"	23.996494
"713594"	183.073697	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+H+Na"	23.996494
"1463041"	69.023397	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H+Na"	23.996494
"1063945"	46.3513566666667	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2H+Na"	25.00377
"1272311"	147.083786	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+CH3OH+H"	33.033486
"387117"	267.063758	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+K"	38.963158
"747383"	381.114058	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+K"	38.963158
"1553820"	153.013458	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+K"	38.963158
"310633"	134.035517	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+H+K"	39.970434
"704877"	191.060667	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+H+K"	39.970434
"1456142"	77.010367	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H+K"	39.970434
"249118"	270.134426	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+ACN+H"	42.033826
"1222925"	156.084126	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+ACN+H"	42.033826
"1208261"	78.545701	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+ACN+2H"	43.041102
"201861"	273.07176	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+2Na-H"	44.97116
"641426"	387.12206	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+2Na-H"	44.97116
"1143838"	159.02146	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2Na-H"	44.97116
"183848"	137.039518	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+2Na"	45.978436
"623768"	194.064668	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+2Na"	45.978436
"1119253"	80.014368	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2Na"	45.978436
"1401682"	53.6786706666667	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H+2Na"	46.985712
"1431363"	161.063046	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H+HCOOH"	47.012746
"225683"	142.07254	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+3H2O+2H"	56.04448
"1514839"	175.11509	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+IsoProp+H"	61.06479
"414527"	145.026488	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+Na+K"	61.952376
"770905"	202.051638	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+Na+K"	61.952376
"1665894"	88.001338	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Na+K"	61.952376
"251969"	292.116368	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+ACN+Na"	64.015768
"1226829"	178.066068	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+ACN+Na"	64.015768
"1713165"	178.089593	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+NH4+HCOOH"	64.039293
"1179373"	61.0059846666667	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+3Na"	68.967654
"1665502"	183.044988	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Na+HCOOH"	68.994688
"169742"	305.01964	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+2K-H"	76.91904
"612347"	419.06994	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+2K-H"	76.91904
"1098191"	190.96934	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2K-H"	76.91904
"155008"	153.013458	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"2M+2K"	77.926316
"596962"	210.038608	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"3M+2K"	77.926316
"1082733"	95.988308	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2K"	77.926316
"1114362"	192.983892	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2K+H"	78.933592
"1349770"	193.071507	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+DMSO+H"	79.021207
"1018299"	197.110676	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2ACN+H"	83.060376
"1538246"	198.104308	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+IsoProp+Na+H"	84.054008
"1001774"	99.058976	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+2ACN+2H"	84.067652
"1597372"	199.018928	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+K+HCOOH"	84.968628
"1428503"	229.050438	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+H+CF3COOH"	115.000138
"1161710"	119.572251	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+3ACN+2H"	125.094202
"1711500"	246.076985	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+NH4+CF3COOH"	132.026685
"1641803"	251.03238	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+Na+CF3COOH"	136.98208
"1586203"	267.00632	"C08370"	"Diallyl sulfide;Allyl sulfide"	"C6H10S"	"114.0503"	"M+K+CF3COOH"	152.95602
"806726"	93.9911	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M"	0
"983539"	74.97271	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-H2O-H"	-19.01839
"68500"	61.6534573333333	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M-3H"	-3.021828
"510247"	92.983824	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M-3H"	-3.021828
"880635"	30.3230906666667	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-3H"	-3.021828
"8814"	92.983824	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M-2H"	-2.014552
"449467"	139.979374	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M-2H"	-2.014552
"827273"	45.988274	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-2H"	-2.014552
"88360"	186.974924	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M-H"	-1.007276
"526825"	280.966024	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M-H"	-1.007276
"906814"	92.983824	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-H"	-1.007276
"51348"	204.001471	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M-2H+NH4"	16.019271
"493094"	297.992571	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M-2H+NH4"	16.019271
"865421"	110.010371	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-2H+NH4"	16.019271
"32960"	208.956866	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M-2H+Na"	20.974666
"480549"	302.947966	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M-2H+Na"	20.974666
"861636"	114.965766	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-2H+Na"	20.974666
"1632263"	114.965766	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Na-2H"	20.974666
"107337"	110.972163	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M-H+Cl"	33.962126
"542886"	157.967713	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M-H+Cl"	33.962126
"933122"	63.976613	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-H+Cl"	33.962126
"270586"	222.951602	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+Cl"	34.969402
"661062"	316.942702	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+Cl"	34.969402
"1280879"	128.960502	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Cl"	34.969402
"19059"	224.930806	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M-2H+K"	36.948606
"461904"	318.921906	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M-2H+K"	36.948606
"837518"	130.939706	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-2H+K"	36.948606
"1556994"	130.939706	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+K-2H"	36.948606
"943170"	138.989294	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-H+HCOOH"	44.998194
"361746"	232.980401	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+HCOOH-H"	44.998201
"345870"	246.996051	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+Hac-H"	59.013851
"1493620"	153.004951	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Hac-H"	59.013851
"961528"	160.971251	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-H+NaCOOH"	66.980151
"110670"	128.960502	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+2Cl"	69.938804
"550192"	175.956052	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+2Cl"	69.938804
"1022432"	81.964952	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2Cl"	69.938804
"1242740"	172.909985	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Br"	78.918885
"1305197"	174.965972	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Cl+HCOOH"	80.974872
"1320507"	196.947929	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Cl+NaCOOH"	102.956829
"913756"	206.976686	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M-H+CF3COOH"	112.985586
"1290832"	242.953364	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Cl+CF3COOH"	148.962264
"1367899"	58.978424	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H-2H2O"	-35.012676
"1385027"	76.9884	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H-H2O"	-17.0027
"283622"	188.989476	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+H"	1.007276
"677138"	282.980576	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+H"	1.007276
"1354953"	94.998376	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H"	1.007276
"127112"	94.998376	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+2H"	2.014552
"566911"	141.993926	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+2H"	2.014552
"1038627"	48.002826	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2H"	2.014552
"205433"	63.6680093333333	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+3H"	3.021828
"649134"	94.998376	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+3H"	3.021828
"1168352"	32.3376426666667	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+3H"	3.021828
"425304"	206.016023	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+NH4"	18.033823
"787274"	300.007123	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+NH4"	18.033823
"1681574"	112.024923	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+NH4"	18.033823
"331033"	103.5116495	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+H+NH4"	19.041099
"725279"	150.5071995	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+H+NH4"	19.041099
"1490036"	56.5160995	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H+NH4"	19.041099
"403248"	210.971418	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+Na"	22.989218
"766432"	304.962518	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+Na"	22.989218
"1613434"	116.980318	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Na"	22.989218
"324564"	105.989347	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+H+Na"	23.996494
"712611"	152.984897	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+H+Na"	23.996494
"1463515"	58.993797	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H+Na"	23.996494
"1064054"	39.6649566666667	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2H+Na"	25.00377
"1272675"	127.024586	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+CH3OH+H"	33.033486
"392096"	226.945358	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+K"	38.963158
"752598"	320.936458	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+K"	38.963158
"1552836"	132.954258	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+K"	38.963158
"310016"	113.976317	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+H+K"	39.970434
"704622"	160.971867	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+H+K"	39.970434
"1459170"	66.980767	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H+K"	39.970434
"249110"	230.016026	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+ACN+H"	42.033826
"1222912"	136.024926	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+ACN+H"	42.033826
"1206552"	68.516101	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+ACN+2H"	43.041102
"201246"	232.95336	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+2Na-H"	44.97116
"640079"	326.94446	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+2Na-H"	44.97116
"1140304"	138.96226	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2Na-H"	44.97116
"182863"	116.980318	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+2Na"	45.978436
"623879"	163.975868	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+2Na"	45.978436
"1123737"	69.984768	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2Na"	45.978436
"1403979"	46.9922706666667	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H+2Na"	46.985712
"1432812"	141.003846	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H+HCOOH"	47.012746
"225793"	122.01334	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+3H2O+2H"	56.04448
"1514949"	155.05589	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+IsoProp+H"	61.06479
"413544"	124.967288	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+Na+K"	61.952376
"769990"	171.962838	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+Na+K"	61.952376
"1665588"	77.971738	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Na+K"	61.952376
"251673"	251.997968	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+ACN+Na"	64.015768
"1225922"	158.006868	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+ACN+Na"	64.015768
"1713312"	158.030393	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+NH4+HCOOH"	64.039293
"1183253"	54.3195846666667	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+3Na"	68.967654
"1660803"	162.985788	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Na+HCOOH"	68.994688
"170945"	264.90124	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+2K-H"	76.91904
"611240"	358.89234	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+2K-H"	76.91904
"1098789"	170.91014	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2K-H"	76.91904
"154025"	132.954258	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"2M+2K"	77.926316
"596139"	179.949808	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"3M+2K"	77.926316
"1082353"	85.958708	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2K"	77.926316
"1113866"	172.924692	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2K+H"	78.933592
"1350610"	173.012307	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+DMSO+H"	79.021207
"1015128"	177.051476	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2ACN+H"	83.060376
"1537627"	178.045108	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+IsoProp+Na+H"	84.054008
"1000791"	89.029376	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+2ACN+2H"	84.067652
"1598576"	178.959728	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+K+HCOOH"	84.968628
"1427515"	208.991238	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+H+CF3COOH"	115.000138
"1157806"	109.542651	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+3ACN+2H"	125.094202
"1707355"	226.017785	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+NH4+CF3COOH"	132.026685
"1641913"	230.97318	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+Na+CF3COOH"	136.98208
"1586313"	246.94712	"C08371"	"Dimethyl disulfide;Methyl disulfide"	"C2H6S2"	"93.9911"	"M+K+CF3COOH"	152.95602
"803556"	125.9632	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M"	0
"983650"	106.94481	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-H2O-H"	-19.01839
"70798"	82.9681906666667	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M-3H"	-3.021828
"503551"	124.955924	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M-3H"	-3.021828
"887067"	40.9804573333333	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-3H"	-3.021828
"8924"	124.955924	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M-2H"	-2.014552
"448484"	187.937524	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M-2H"	-2.014552
"828478"	61.974324	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-2H"	-2.014552
"88470"	250.919124	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M-H"	-1.007276
"529121"	376.882324	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M-H"	-1.007276
"904736"	124.955924	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-H"	-1.007276
"52550"	267.945671	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M-2H+NH4"	16.019271
"494297"	393.908871	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M-2H+NH4"	16.019271
"865655"	141.982471	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-2H+NH4"	16.019271
"33556"	272.901066	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M-2H+Na"	20.974666
"472382"	398.864266	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M-2H+Na"	20.974666
"861746"	146.937866	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-2H+Na"	20.974666
"1632373"	146.937866	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Na-2H"	20.974666
"107810"	142.944263	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M-H+Cl"	33.962126
"546276"	205.925863	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M-H+Cl"	33.962126
"933232"	79.962663	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-H+Cl"	33.962126
"277256"	286.895802	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+Cl"	34.969402
"665304"	412.859002	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+Cl"	34.969402
"1280989"	160.932602	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Cl"	34.969402
"22450"	288.875006	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M-2H+K"	36.948606
"463104"	414.838206	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M-2H+K"	36.948606
"840907"	162.911806	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-2H+K"	36.948606
"1556739"	162.911806	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+K-2H"	36.948606
"944253"	170.961394	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-H+HCOOH"	44.998194
"362340"	296.924601	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+HCOOH-H"	44.998201
"346388"	310.940251	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+Hac-H"	59.013851
"1494214"	184.977051	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Hac-H"	59.013851
"959815"	192.943351	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-H+NaCOOH"	66.980151
"111998"	160.932602	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+2Cl"	69.938804
"551925"	223.914202	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+2Cl"	69.938804
"1023271"	97.951002	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2Cl"	69.938804
"1243212"	204.882085	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Br"	78.918885
"1305672"	206.938072	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Cl+HCOOH"	80.974872
"1321346"	228.920029	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Cl+NaCOOH"	102.956829
"912041"	238.948786	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M-H+CF3COOH"	112.985586
"1293129"	274.925464	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Cl+CF3COOH"	148.962264
"1369467"	90.950524	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H-2H2O"	-35.012676
"1384408"	108.9605	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H-H2O"	-17.0027
"284823"	252.933676	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+H"	1.007276
"677614"	378.896876	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+H"	1.007276
"1358343"	126.970476	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H"	1.007276
"127586"	126.970476	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+2H"	2.014552
"566292"	189.952076	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+2H"	2.014552
"1038859"	63.988876	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2H"	2.014552
"206764"	84.9827426666667	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+3H"	3.021828
"648151"	126.970476	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+3H"	3.021828
"1166276"	42.9950093333333	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+3H"	3.021828
"428451"	269.960223	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+NH4"	18.033823
"787626"	395.923423	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+NH4"	18.033823
"1684687"	143.997023	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+NH4"	18.033823
"330897"	135.4837495	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+H+NH4"	19.041099
"725389"	198.4653495	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+H+NH4"	19.041099
"1479209"	72.5021495	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H+NH4"	19.041099
"396796"	274.915618	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+Na"	22.989218
"757791"	400.878818	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+Na"	22.989218
"1611357"	148.952418	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Na"	22.989218
"323581"	137.961447	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+H+Na"	23.996494
"713814"	200.943047	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+H+Na"	23.996494
"1463382"	74.979847	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H+Na"	23.996494
"1059788"	50.3223233333333	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2H+Na"	25.00377
"1271930"	158.996686	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+CH3OH+H"	33.033486
"392409"	290.889558	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+K"	38.963158
"752834"	416.852758	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+K"	38.963158
"1554406"	164.926358	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+K"	38.963158
"311948"	145.948417	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+H+K"	39.970434
"703639"	208.930017	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+H+K"	39.970434
"1458916"	82.966817	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H+K"	39.970434
"248613"	293.960226	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+ACN+H"	42.033826
"1223145"	167.997026	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+ACN+H"	42.033826
"1208121"	84.502151	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+ACN+2H"	43.041102
"202574"	296.89756	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+2Na-H"	44.97116
"642011"	422.86076	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+2Na-H"	44.97116
"1144058"	170.93436	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2Na-H"	44.97116
"187105"	148.952418	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+2Na"	45.978436
"624354"	211.934018	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+2Na"	45.978436
"1127127"	85.970818	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2Na"	45.978436
"1407369"	57.6496373333333	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H+2Na"	46.985712
"1432923"	172.975946	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H+HCOOH"	47.012746
"221528"	153.98544	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+3H2O+2H"	56.04448
"1516152"	187.02799	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+IsoProp+H"	61.06479
"418027"	156.939388	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+Na+K"	61.952376
"775018"	219.920988	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+Na+K"	61.952376
"1665675"	93.957788	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Na+K"	61.952376
"252400"	315.942168	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+ACN+Na"	64.015768
"1226932"	189.978968	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+ACN+Na"	64.015768
"1713994"	190.002493	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+NH4+HCOOH"	64.039293
"1187736"	64.9769513333333	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+3Na"	68.967654
"1663100"	194.957888	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Na+HCOOH"	68.994688
"171055"	328.84544	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+2K-H"	76.91904
"611712"	454.80864	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+2K-H"	76.91904
"1098775"	202.88224	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2K-H"	76.91904
"155228"	164.926358	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"2M+2K"	77.926316
"595156"	227.907958	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"3M+2K"	77.926316
"1081492"	101.944758	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2K"	77.926316
"1113242"	204.896792	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2K+H"	78.933592
"1348536"	204.984407	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+DMSO+H"	79.021207
"1018155"	209.023576	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2ACN+H"	83.060376
"1537737"	210.017208	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+IsoProp+Na+H"	84.054008
"1004181"	105.015426	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+2ACN+2H"	84.067652
"1600872"	210.931828	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+K+HCOOH"	84.968628
"1427626"	240.963338	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+H+CF3COOH"	115.000138
"1159007"	125.528701	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+3ACN+2H"	125.094202
"1704185"	257.989885	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+NH4+CF3COOH"	132.026685
"1639836"	262.94528	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+Na+CF3COOH"	136.98208
"1586423"	278.91922	"C08372"	"Dimethyl trisulfide;DMTS"	"C2H6S3"	"125.9632"	"M+K+CF3COOH"	152.95602
"803666"	150.0537	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M"	0
"983760"	131.03531	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-H2O-H"	-19.01839
"68721"	99.028524	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M-3H"	-3.021828
"503902"	149.046424	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M-3H"	-3.021828
"886084"	49.010624	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-3H"	-3.021828
"9034"	149.046424	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M-2H"	-2.014552
"449688"	224.073274	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M-2H"	-2.014552
"828588"	74.019574	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-2H"	-2.014552
"89673"	299.100124	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M-H"	-1.007276
"529231"	449.153824	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M-H"	-1.007276
"904846"	149.046424	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-H"	-1.007276
"50839"	316.126671	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M-2H+NH4"	16.019271
"489304"	466.180371	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M-2H+NH4"	16.019271
"866739"	166.072971	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-2H+NH4"	16.019271
"33546"	321.082066	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M-2H+Na"	20.974666
"472859"	471.135766	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M-2H+Na"	20.974666
"853108"	171.028366	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-2H+Na"	20.974666
"1622642"	171.028366	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Na-2H"	20.974666
"104639"	167.034763	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M-H+Cl"	33.962126
"545293"	242.061613	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M-H+Cl"	33.962126
"936622"	92.007913	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-H+Cl"	33.962126
"277366"	335.076802	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+Cl"	34.969402
"664321"	485.130502	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+Cl"	34.969402
"1283286"	185.023102	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Cl"	34.969402
"23653"	337.056006	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M-2H+K"	36.948606
"462121"	487.109706	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M-2H+K"	36.948606
"838829"	187.002306	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-2H+K"	36.948606
"1557211"	187.002306	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+K-2H"	36.948606
"943997"	195.051894	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-H+HCOOH"	44.998194
"361970"	345.105601	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+HCOOH-H"	44.998201
"347556"	359.121251	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+Hac-H"	59.013851
"1493959"	209.067551	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Hac-H"	59.013851
"962112"	217.033851	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-H+NaCOOH"	66.980151
"112111"	185.023102	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+2Cl"	69.938804
"552400"	260.049952	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+2Cl"	69.938804
"1023749"	109.996252	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2Cl"	69.938804
"1243328"	228.972585	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Br"	78.918885
"1304607"	231.028572	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Cl+HCOOH"	80.974872
"1321457"	253.010529	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Cl+NaCOOH"	102.956829
"913245"	263.039286	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M-H+CF3COOH"	112.985586
"1292870"	299.015964	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Cl+CF3COOH"	148.962264
"1369212"	115.041024	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H-2H2O"	-35.012676
"1384883"	133.051	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H-H2O"	-17.0027
"284571"	301.114676	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+H"	1.007276
"676261"	451.168376	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+H"	1.007276
"1358453"	151.060976	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H"	1.007276
"127696"	151.060976	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+2H"	2.014552
"566889"	226.087826	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+2H"	2.014552
"1038605"	76.034126	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2H"	2.014552
"207603"	101.043076	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+3H"	3.021828
"645223"	151.060976	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+3H"	3.021828
"1163832"	51.025176	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+3H"	3.021828
"427832"	318.141223	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+NH4"	18.033823
"787004"	468.194923	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+NH4"	18.033823
"1684797"	168.087523	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+NH4"	18.033823
"330279"	159.5742495	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+H+NH4"	19.041099
"725499"	234.6010995	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+H+NH4"	19.041099
"1479319"	84.5473995	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H+NH4"	19.041099
"396906"	323.096618	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+Na"	22.989218
"760088"	473.150318	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+Na"	22.989218
"1613654"	173.042918	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Na"	22.989218
"323691"	162.051947	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+H+Na"	23.996494
"712831"	237.078797	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+H+Na"	23.996494
"1465558"	87.025097	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H+Na"	23.996494
"1054182"	58.35249	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2H+Na"	25.00377
"1265951"	183.087186	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+CH3OH+H"	33.033486
"392509"	339.070558	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+K"	38.963158
"751721"	489.124258	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+K"	38.963158
"1553672"	189.016858	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+K"	38.963158
"312668"	170.038917	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+H+K"	39.970434
"705571"	245.065767	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+H+K"	39.970434
"1460728"	95.012067	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H+K"	39.970434
"246533"	342.141226	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+ACN+H"	42.033826
"1224593"	192.087526	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+ACN+H"	42.033826
"1208233"	96.547401	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+ACN+2H"	43.041102
"202440"	345.07856	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+2Na-H"	44.97116
"641394"	495.13226	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+2Na-H"	44.97116
"1145262"	195.02486	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2Na-H"	44.97116
"186729"	173.042918	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+2Na"	45.978436
"625557"	248.069768	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+2Na"	45.978436
"1126144"	98.016068	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2Na"	45.978436
"1407479"	65.679804	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H+2Na"	46.985712
"1439593"	197.066446	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H+HCOOH"	47.012746
"222732"	178.07594	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+3H2O+2H"	56.04448
"1517356"	211.11849	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+IsoProp+H"	61.06479
"412669"	181.029888	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+Na+K"	61.952376
"771848"	256.056738	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+Na+K"	61.952376
"1665659"	106.003038	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Na+K"	61.952376
"252147"	364.123168	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+ACN+Na"	64.015768
"1225948"	214.069468	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+ACN+Na"	64.015768
"1714833"	214.092993	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+NH4+HCOOH"	64.039293
"1179218"	73.007118	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+3Na"	68.967654
"1656649"	219.048388	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Na+HCOOH"	68.994688
"164603"	377.02644	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+2K-H"	76.91904
"610365"	527.08014	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+2K-H"	76.91904
"1098521"	226.97274	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2K-H"	76.91904
"154242"	189.016858	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"2M+2K"	77.926316
"595388"	264.043708	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"3M+2K"	77.926316
"1081961"	113.990008	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2K"	77.926316
"1114562"	228.987292	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2K+H"	78.933592
"1348645"	229.074907	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+DMSO+H"	79.021207
"1018994"	233.114076	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2ACN+H"	83.060376
"1535662"	234.107708	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+IsoProp+Na+H"	84.054008
"1003198"	117.060676	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+2ACN+2H"	84.067652
"1599887"	235.022328	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+K+HCOOH"	84.968628
"1425548"	265.053838	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+H+CF3COOH"	115.000138
"1160210"	137.573951	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+3ACN+2H"	125.094202
"1704295"	282.080385	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+NH4+CF3COOH"	132.026685
"1638853"	287.03578	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+Na+CF3COOH"	136.98208
"1586533"	303.00972	"C08373"	"Dipropyl disulfide;n-Propyl disulfide"	"C6H14S2"	"150.0537"	"M+K+CF3COOH"	152.95602
"804869"	170.2035	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M"	0
"983870"	151.18511	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-H2O-H"	-19.01839
"68831"	112.461724	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M-3H"	-3.021828
"503281"	169.196224	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M-3H"	-3.021828
"884371"	55.727224	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-3H"	-3.021828
"5864"	169.196224	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M-2H"	-2.014552
"448705"	254.297974	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M-2H"	-2.014552
"828699"	84.094474	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-2H"	-2.014552
"90877"	339.399724	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M-H"	-1.007276
"528248"	509.603224	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M-H"	-1.007276
"908236"	169.196224	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-H"	-1.007276
"53865"	356.426271	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M-2H+NH4"	16.019271
"491602"	526.629771	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M-2H+NH4"	16.019271
"867214"	186.222771	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-2H+NH4"	16.019271
"34021"	361.381666	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M-2H+Na"	20.974666
"471593"	531.585166	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M-2H+Na"	20.974666
"854311"	191.178166	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-2H+Na"	20.974666
"1621658"	191.178166	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Na-2H"	20.974666
"96484"	187.184563	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M-H+Cl"	33.962126
"541029"	272.286313	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M-H+Cl"	33.962126
"933452"	102.082813	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-H+Cl"	33.962126
"274196"	375.376402	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+Cl"	34.969402
"662971"	545.579902	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+Cl"	34.969402
"1281209"	205.172902	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Cl"	34.969402
"22669"	377.355606	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M-2H+K"	36.948606
"460044"	547.559106	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M-2H+K"	36.948606
"837846"	207.152106	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-2H+K"	36.948606
"1560604"	207.152106	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+K-2H"	36.948606
"942842"	215.201694	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-H+HCOOH"	44.998194
"361632"	385.405201	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+HCOOH-H"	44.998201
"345964"	399.420851	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+Hac-H"	59.013851
"1494312"	229.217351	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Hac-H"	59.013851
"960760"	237.183651	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-H+NaCOOH"	66.980151
"112950"	205.172902	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+2Cl"	69.938804
"552509"	290.274652	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+2Cl"	69.938804
"1022767"	120.071152	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2Cl"	69.938804
"1245627"	249.122385	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Br"	78.918885
"1304556"	251.178372	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Cl+HCOOH"	80.974872
"1320102"	273.160329	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Cl+NaCOOH"	102.956829
"912747"	283.189086	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M-H+CF3COOH"	112.985586
"1291888"	319.165764	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Cl+CF3COOH"	148.962264
"1370051"	135.190824	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H-2H2O"	-35.012676
"1384627"	153.2008	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H-H2O"	-17.0027
"283049"	341.414276	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+H"	1.007276
"676733"	511.617776	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+H"	1.007276
"1354187"	171.210776	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H"	1.007276
"128532"	171.210776	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+2H"	2.014552
"566385"	256.312526	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+2H"	2.014552
"1037248"	86.109026	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2H"	2.014552
"205522"	114.476276	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+3H"	3.021828
"644723"	171.210776	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+3H"	3.021828
"1165399"	57.741776	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+3H"	3.021828
"424898"	358.440823	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+NH4"	18.033823
"788937"	528.644323	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+NH4"	18.033823
"1682961"	188.237323	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+NH4"	18.033823
"333547"	179.7240495	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+H+NH4"	19.041099
"724997"	264.8257995	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+H+NH4"	19.041099
"1479064"	94.6222995	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H+NH4"	19.041099
"395557"	363.396218	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+Na"	22.989218
"758011"	533.599718	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+Na"	22.989218
"1613764"	193.192718	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Na"	22.989218
"320521"	182.201747	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+H+Na"	23.996494
"712941"	267.303497	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+H+Na"	23.996494
"1465668"	97.099997	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H+Na"	23.996494
"1054539"	65.06909	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2H+Na"	25.00377
"1264968"	203.236986	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+CH3OH+H"	33.033486
"386824"	379.370158	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+K"	38.963158
"748916"	549.573658	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+K"	38.963158
"1555536"	209.166658	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+K"	38.963158
"313871"	190.188717	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+H+K"	39.970434
"705684"	275.290467	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+H+K"	39.970434
"1459864"	105.086967	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H+K"	39.970434
"248464"	382.440826	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+ACN+H"	42.033826
"1224457"	212.237326	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+ACN+H"	42.033826
"1209070"	106.622301	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+ACN+2H"	43.041102
"203037"	385.37816	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+2Na-H"	44.97116
"643203"	555.58166	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+2Na-H"	44.97116
"1146099"	215.17466	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2Na-H"	44.97116
"187203"	193.192718	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+2Na"	45.978436
"625666"	278.294468	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+2Na"	45.978436
"1124067"	108.090968	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2Na"	45.978436
"1407589"	72.396404	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H+2Na"	46.985712
"1436423"	217.216246	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H+HCOOH"	47.012746
"221747"	198.22574	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+3H2O+2H"	56.04448
"1517466"	231.26829	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+IsoProp+H"	61.06479
"412779"	201.179688	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+Na+K"	61.952376
"773780"	286.281438	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+Na+K"	61.952376
"1666223"	116.077938	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Na+K"	61.952376
"252377"	404.422768	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+ACN+Na"	64.015768
"1228245"	234.219268	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+ACN+Na"	64.015768
"1716399"	234.242793	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+NH4+HCOOH"	64.039293
"1182117"	79.723718	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+3Na"	68.967654
"1656758"	239.198188	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Na+HCOOH"	68.994688
"159244"	417.32604	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+2K-H"	76.91904
"609742"	587.52954	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+2K-H"	76.91904
"1097785"	247.12254	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2K-H"	76.91904
"154352"	209.166658	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"2M+2K"	77.926316
"594644"	294.268408	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"3M+2K"	77.926316
"1082799"	124.064908	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2K"	77.926316
"1113700"	249.137092	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2K+H"	78.933592
"1348390"	249.224707	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+DMSO+H"	79.021207
"1019105"	253.263876	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2ACN+H"	83.060376
"1536864"	254.257508	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+IsoProp+Na+H"	84.054008
"1003308"	127.135576	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+2ACN+2H"	84.067652
"1598904"	255.172128	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+K+HCOOH"	84.968628
"1424565"	285.203638	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+H+CF3COOH"	115.000138
"1161413"	147.648851	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+3ACN+2H"	125.094202
"1704405"	302.230185	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+NH4+CF3COOH"	132.026685
"1638963"	307.18558	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+Na+CF3COOH"	136.98208
"1586643"	323.15952	"C08374"	"Dodecane;n-Dodecane"	"C12H26"	"170.2035"	"M+K+CF3COOH"	152.95602
"803886"	180.1514	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M"	0
"986168"	161.13301	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-H2O-H"	-19.01839
"68941"	119.093657333333	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M-3H"	-3.021828
"502855"	179.144124	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M-3H"	-3.021828
"891413"	59.0431906666667	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-3H"	-3.021828
"11443"	179.144124	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M-2H"	-2.014552
"448816"	269.219824	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M-2H"	-2.014552
"829174"	89.068424	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-2H"	-2.014552
"92083"	359.295524	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M-H"	-1.007276
"530548"	539.446924	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M-H"	-1.007276
"909322"	179.144124	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-H"	-1.007276
"50696"	376.322071	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M-2H+NH4"	16.019271
"493536"	556.473471	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M-2H+NH4"	16.019271
"866230"	196.170671	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-2H+NH4"	16.019271
"34497"	381.277466	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M-2H+Na"	20.974666
"472232"	561.428866	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M-2H+Na"	20.974666
"856608"	201.126066	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-2H+Na"	20.974666
"1626142"	201.126066	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Na-2H"	20.974666
"96837"	197.132463	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M-H+Cl"	33.962126
"541139"	287.208163	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M-H+Cl"	33.962126
"932468"	107.056763	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-H+Cl"	33.962126
"272483"	395.272202	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+Cl"	34.969402
"661987"	575.423602	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+Cl"	34.969402
"1281319"	215.120802	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Cl"	34.969402
"21686"	397.251406	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M-2H+K"	36.948606
"457115"	577.402806	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M-2H+K"	36.948606
"839049"	217.100006	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-2H+K"	36.948606
"1557068"	217.100006	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+K-2H"	36.948606
"942956"	225.149594	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-H+HCOOH"	44.998194
"363286"	405.301001	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+HCOOH-H"	44.998201
"345731"	419.316651	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+Hac-H"	59.013851
"1493453"	239.165251	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Hac-H"	59.013851
"959535"	247.131551	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-H+NaCOOH"	66.980151
"111238"	215.120802	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+2Cl"	69.938804
"550797"	305.196502	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+2Cl"	69.938804
"1024702"	125.045102	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2Cl"	69.938804
"1247199"	259.070285	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Br"	78.918885
"1304423"	261.126272	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Cl+HCOOH"	80.974872
"1319895"	283.108229	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Cl+NaCOOH"	102.956829
"915655"	293.136986	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M-H+CF3COOH"	112.985586
"1292365"	329.113664	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Cl+CF3COOH"	148.962264
"1371984"	145.138724	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H-2H2O"	-35.012676
"1385470"	163.1487	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H-H2O"	-17.0027
"287709"	361.310076	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+H"	1.007276
"682317"	541.461476	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+H"	1.007276
"1353933"	181.158676	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H"	1.007276
"128643"	181.158676	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+2H"	2.014552
"567470"	271.234376	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+2H"	2.014552
"1037090"	91.082976	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2H"	2.014552
"205391"	121.108209333333	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+3H"	3.021828
"644303"	181.158676	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+3H"	3.021828
"1165024"	61.0577426666667	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+3H"	3.021828
"426228"	378.336623	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+NH4"	18.033823
"787591"	558.488023	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+NH4"	18.033823
"1685018"	198.185223	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+NH4"	18.033823
"329983"	189.6719495	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+H+NH4"	19.041099
"723529"	279.7476495	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+H+NH4"	19.041099
"1488289"	99.5962495	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H+NH4"	19.041099
"398220"	383.292018	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+Na"	22.989218
"757028"	563.443418	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+Na"	22.989218
"1616914"	203.140618	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Na"	22.989218
"320631"	192.149647	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+H+Na"	23.996494
"715238"	282.225347	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+H+Na"	23.996494
"1467965"	102.073947	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H+Na"	23.996494
"1055743"	68.3850566666667	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2H+Na"	25.00377
"1265078"	213.184886	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+CH3OH+H"	33.033486
"388027"	399.265958	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+K"	38.963158
"751217"	579.417358	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+K"	38.963158
"1551825"	219.114558	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+K"	38.963158
"313007"	200.136617	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+H+K"	39.970434
"704338"	290.212317	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+H+K"	39.970434
"1459249"	110.060917	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H+K"	39.970434
"249309"	402.336626	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+ACN+H"	42.033826
"1222383"	222.185226	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+ACN+H"	42.033826
"1206267"	111.596251	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+ACN+2H"	43.041102
"202418"	405.27396	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+2Na-H"	44.97116
"643071"	585.42536	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+2Na-H"	44.97116
"1146214"	225.12256	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2Na-H"	44.97116
"186220"	203.140618	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+2Na"	45.978436
"626141"	293.216318	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+2Na"	45.978436
"1126365"	113.064918	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2Na"	45.978436
"1408794"	75.7123706666667	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H+2Na"	46.985712
"1438721"	227.164146	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H+HCOOH"	47.012746
"226233"	208.17364	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+3H2O+2H"	56.04448
"1523734"	241.21619	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+IsoProp+H"	61.06479
"413982"	211.127588	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+Na+K"	61.952376
"774984"	301.203288	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+Na+K"	61.952376
"1668156"	121.051888	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Na+K"	61.952376
"254555"	424.318568	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+ACN+Na"	64.015768
"1230542"	244.167168	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+ACN+Na"	64.015768
"1716150"	244.190693	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+NH4+HCOOH"	64.039293
"1181502"	83.0396846666667	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+3Na"	68.967654
"1657961"	249.146088	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Na+HCOOH"	68.994688
"162634"	437.22184	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+2K-H"	76.91904
"609852"	617.37324	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+2K-H"	76.91904
"1098378"	257.07044	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2K-H"	76.91904
"155556"	219.114558	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"2M+2K"	77.926316
"595726"	309.190258	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"3M+2K"	77.926316
"1083398"	129.038858	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2K"	77.926316
"1113931"	259.084992	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2K+H"	78.933592
"1350195"	259.172607	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+DMSO+H"	79.021207
"1019095"	263.211776	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2ACN+H"	83.060376
"1538067"	264.205408	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+IsoProp+Na+H"	84.054008
"1003418"	132.109526	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+2ACN+2H"	84.067652
"1600108"	265.120028	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+K+HCOOH"	84.968628
"1424675"	295.151538	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+H+CF3COOH"	115.000138
"1161523"	152.622801	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+3ACN+2H"	125.094202
"1704515"	312.178085	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+NH4+CF3COOH"	132.026685
"1639071"	317.13348	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+Na+CF3COOH"	136.98208
"1586753"	333.10742	"C08375"	"(3Z6Z9Z)-369-Dodecatrien-1-ol;(ZZZ)-369-Dodecatrien-1-ol"	"C12H20O"	"180.1514"	"M+K+CF3COOH"	152.95602
"803996"	436.5008	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M"	0
"985185"	417.48241	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-H2O-H"	-19.01839
"65771"	289.993257333333	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M-3H"	-3.021828
"503130"	435.493524	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M-3H"	-3.021828
"891523"	144.492990666667	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-3H"	-3.021828
"10460"	435.493524	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M-2H"	-2.014552
"447833"	653.743924	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M-2H"	-2.014552
"829891"	217.243124	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-2H"	-2.014552
"90006"	871.994324	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M-H"	-1.007276
"532117"	1308.495124	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M-H"	-1.007276
"906272"	435.493524	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-H"	-1.007276
"50806"	889.020871	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M-2H+NH4"	16.019271
"491459"	1325.521671	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M-2H+NH4"	16.019271
"866340"	452.520071	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-2H+NH4"	16.019271
"33147"	893.976266	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M-2H+Na"	20.974666
"471978"	1330.477066	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M-2H+Na"	20.974666
"855624"	457.475466	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-2H+Na"	20.974666
"1619690"	457.475466	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Na-2H"	20.974666
"95124"	453.481863	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M-H+Cl"	33.962126
"536142"	671.732263	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M-H+Cl"	33.962126
"929295"	235.231463	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-H+Cl"	33.962126
"272228"	907.971002	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+Cl"	34.969402
"663555"	1344.471802	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+Cl"	34.969402
"1275957"	471.470202	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Cl"	34.969402
"16447"	909.950206	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M-2H+K"	36.948606
"456496"	1346.451006	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M-2H+K"	36.948606
"836972"	473.449406	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-2H+K"	36.948606
"1560460"	473.449406	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+K-2H"	36.948606
"942802"	481.498994	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-H+HCOOH"	44.998194
"363275"	917.999801	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+HCOOH-H"	44.998201
"347280"	932.015451	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+Hac-H"	59.013851
"1493033"	495.514651	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Hac-H"	59.013851
"960618"	503.480951	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-H+NaCOOH"	66.980151
"111348"	471.470202	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+2Cl"	69.938804
"550907"	689.720602	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+2Cl"	69.938804
"1026271"	253.219802	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2Cl"	69.938804
"1247309"	515.419685	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Br"	78.918885
"1304412"	517.475672	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Cl+HCOOH"	80.974872
"1323246"	539.457629	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Cl+NaCOOH"	102.956829
"915036"	549.486386	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M-H+CF3COOH"	112.985586
"1293567"	585.463064	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Cl+CF3COOH"	148.962264
"1371730"	401.488124	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H-2H2O"	-35.012676
"1388132"	419.4981	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H-H2O"	-17.0027
"292193"	874.008876	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+H"	1.007276
"681334"	1310.509676	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+H"	1.007276
"1353679"	437.508076	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H"	1.007276
"128391"	437.508076	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+2H"	2.014552
"566124"	655.758476	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+2H"	2.014552
"1037470"	219.257676	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2H"	2.014552
"206108"	292.007809333333	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+3H"	3.021828
"645308"	437.508076	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+3H"	3.021828
"1166714"	146.507542666667	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+3H"	3.021828
"425610"	891.035423	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+NH4"	18.033823
"790980"	1327.536223	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+NH4"	18.033823
"1687313"	454.534623	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+NH4"	18.033823
"332310"	446.0213495	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+H+NH4"	19.041099
"724734"	664.2717495	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+H+NH4"	19.041099
"1487305"	227.7709495	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H+NH4"	19.041099
"398331"	895.990818	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+Na"	22.989218
"758231"	1332.491618	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+Na"	22.989218
"1615079"	459.490018	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Na"	22.989218
"320741"	448.499047	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+H+Na"	23.996494
"714255"	666.749447	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+H+Na"	23.996494
"1464793"	230.248647	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H+Na"	23.996494
"1058039"	153.834856666667	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2H+Na"	25.00377
"1263002"	469.534286	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+CH3OH+H"	33.033486
"387044"	911.964758	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+K"	38.963158
"748043"	1348.465558	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+K"	38.963158
"1550842"	475.463958	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+K"	38.963158
"312753"	456.486017	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+H+K"	39.970434
"702989"	674.736417	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+H+K"	39.970434
"1458995"	238.235617	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H+K"	39.970434
"249419"	915.035426	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+ACN+H"	42.033826
"1222128"	478.534626	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+ACN+H"	42.033826
"1208563"	239.770951	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+ACN+2H"	43.041102
"202771"	917.97276	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+2Na-H"	44.97116
"641969"	1354.47356	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+2Na-H"	44.97116
"1145591"	481.47196	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2Na-H"	44.97116
"187304"	459.490018	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+2Na"	45.978436
"626251"	677.740418	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+2Na"	45.978436
"1124288"	241.239618	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2Na"	45.978436
"1406716"	161.162170666667	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H+2Na"	46.985712
"1439924"	483.513546	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H+HCOOH"	47.012746
"225250"	464.52304	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+3H2O+2H"	56.04448
"1522427"	497.56559	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+IsoProp+H"	61.06479
"414456"	467.476988	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+Na+K"	61.952376
"773634"	685.727388	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+Na+K"	61.952376
"1667412"	249.226588	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Na+K"	61.952376
"252842"	937.017368	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+ACN+Na"	64.015768
"1227737"	500.516568	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+ACN+Na"	64.015768
"1715166"	500.540093	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+NH4+HCOOH"	64.039293
"1180883"	168.489484666667	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+3Na"	68.967654
"1655884"	505.495488	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Na+HCOOH"	68.994688
"163838"	949.92064	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+2K-H"	76.91904
"604494"	1386.42144	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+2K-H"	76.91904
"1097756"	513.41984	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2K-H"	76.91904
"155545"	475.463958	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"2M+2K"	77.926316
"596321"	693.714358	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"3M+2K"	77.926316
"1082899"	257.213558	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2K"	77.926316
"1112948"	515.434392	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2K+H"	78.933592
"1348238"	515.522007	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+DMSO+H"	79.021207
"1018963"	519.561176	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2ACN+H"	83.060376
"1538176"	520.554808	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+IsoProp+Na+H"	84.054008
"1002434"	260.284226	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+2ACN+2H"	84.067652
"1599125"	521.469428	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+K+HCOOH"	84.968628
"1425878"	551.500938	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+H+CF3COOH"	115.000138
"1161269"	280.797501	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+3ACN+2H"	125.094202
"1707905"	568.527485	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+NH4+CF3COOH"	132.026685
"1642461"	573.48288	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+Na+CF3COOH"	136.98208
"1586863"	589.45682	"C08376"	"Hentriacontane"	"C31H64"	"436.5008"	"M+K+CF3COOH"	152.95602
"807386"	464.4593	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M"	0
"985295"	445.44091	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-H2O-H"	-19.01839
"65881"	308.632257333333	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M-3H"	-3.021828
"504100"	463.452024	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M-3H"	-3.021828
"890540"	153.812490666667	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-3H"	-3.021828
"10570"	463.452024	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M-2H"	-2.014552
"449036"	695.681674	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M-2H"	-2.014552
"829029"	231.222374	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-2H"	-2.014552
"91939"	927.911324	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M-H"	-1.007276
"530768"	1392.370624	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M-H"	-1.007276
"909906"	463.452024	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-H"	-1.007276
"57476"	944.937871	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M-2H+NH4"	16.019271
"498129"	1409.397171	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M-2H+NH4"	16.019271
"868276"	480.478571	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-2H+NH4"	16.019271
"36176"	949.893266	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M-2H+Na"	20.974666
"474274"	1414.352566	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M-2H+Na"	20.974666
"855734"	485.433966	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-2H+Na"	20.974666
"1621987"	485.433966	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Na-2H"	20.974666
"97421"	481.440363	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M-H+Cl"	33.962126
"538075"	713.670013	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M-H+Cl"	33.962126
"933778"	249.210713	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-H+Cl"	33.962126
"272337"	963.888002	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+Cl"	34.969402
"664758"	1428.347302	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+Cl"	34.969402
"1274971"	499.428702	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Cl"	34.969402
"20814"	965.867206	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M-2H+K"	36.948606
"459276"	1430.326506	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M-2H+K"	36.948606
"834893"	501.407906	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-2H+K"	36.948606
"1558383"	501.407906	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+K-2H"	36.948606
"943749"	509.457494	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-H+HCOOH"	44.998194
"362046"	973.916801	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+HCOOH-H"	44.998201
"346255"	987.932451	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+Hac-H"	59.013851
"1492882"	523.473151	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Hac-H"	59.013851
"959756"	531.439451	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-H+NaCOOH"	66.980151
"110647"	499.428702	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+2Cl"	69.938804
"550409"	731.658352	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+2Cl"	69.938804
"1024192"	267.199052	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2Cl"	69.938804
"1242071"	543.378185	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Br"	78.918885
"1308043"	545.434172	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Cl+HCOOH"	80.974872
"1320432"	567.416129	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Cl+NaCOOH"	102.956829
"911984"	577.444886	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M-H+CF3COOH"	112.985586
"1291125"	613.421564	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Cl+CF3COOH"	148.962264
"1372204"	429.446624	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H-2H2O"	-35.012676
"1386054"	447.4566	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H-H2O"	-17.0027
"289022"	929.925876	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+H"	1.007276
"677797"	1394.385176	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+H"	1.007276
"1355976"	465.466576	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H"	1.007276
"130687"	465.466576	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+2H"	2.014552
"566719"	697.696226	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+2H"	2.014552
"1037539"	233.236926	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2H"	2.014552
"207676"	310.646809333333	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+3H"	3.021828
"645418"	465.466576	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+3H"	3.021828
"1169010"	155.827042666667	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+3H"	3.021828
"426814"	946.952423	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+NH4"	18.033823
"793277"	1411.411723	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+NH4"	18.033823
"1688515"	482.493123	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+NH4"	18.033823
"333514"	473.9798495	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+H+NH4"	19.041099
"723871"	706.2094995	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+H+NH4"	19.041099
"1481947"	241.7501995	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H+NH4"	19.041099
"394428"	951.907818	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+Na"	22.989218
"758341"	1416.367118	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+Na"	22.989218
"1607533"	487.448518	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Na"	22.989218
"319026"	476.457547	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+H+Na"	23.996494
"712178"	708.687197	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+H+Na"	23.996494
"1464174"	244.227897	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H+Na"	23.996494
"1054139"	163.154356666667	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2H+Na"	25.00377
"1263112"	497.492786	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+CH3OH+H"	33.033486
"387154"	967.881758	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+K"	38.963158
"745967"	1432.341058	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+K"	38.963158
"1552772"	503.422458	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+K"	38.963158
"311404"	484.444517	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+H+K"	39.970434
"701638"	716.674167	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+H+K"	39.970434
"1457646"	252.214867	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H+K"	39.970434
"247340"	970.952426	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+ACN+H"	42.033826
"1221507"	506.493126	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+ACN+H"	42.033826
"1204298"	253.750201	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+ACN+2H"	43.041102
"200086"	973.88976	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+2Na-H"	44.97116
"638550"	1438.34906	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+2Na-H"	44.97116
"1142421"	509.43046	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2Na-H"	44.97116
"185348"	487.448518	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+2Na"	45.978436
"623082"	719.678168	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+2Na"	45.978436
"1122575"	255.218868	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2Na"	45.978436
"1402452"	170.481670666667	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H+2Na"	46.985712
"1433474"	511.472046	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H+HCOOH"	47.012746
"226453"	492.48154	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+3H2O+2H"	56.04448
"1513424"	525.52409	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+IsoProp+H"	61.06479
"410557"	495.435488	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+Na+K"	61.952376
"771556"	727.665138	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+Na+K"	61.952376
"1667158"	263.205838	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Na+K"	61.952376
"252221"	992.934368	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+ACN+Na"	64.015768
"1227115"	528.475068	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+ACN+Na"	64.015768
"1713817"	528.498593	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+NH4+HCOOH"	64.039293
"1180626"	177.808984666667	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+3Na"	68.967654
"1652713"	533.453988	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Na+HCOOH"	68.994688
"160667"	1005.83764	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+2K-H"	76.91904
"603510"	1470.29694	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+2K-H"	76.91904
"1096772"	541.37834	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2K-H"	76.91904
"153589"	503.422458	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"2M+2K"	77.926316
"594974"	735.652108	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"3M+2K"	77.926316
"1079850"	271.192808	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2K"	77.926316
"1113058"	543.392892	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2K+H"	78.933592
"1348348"	543.480507	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+DMSO+H"	79.021207
"1019069"	547.519676	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2ACN+H"	83.060376
"1536099"	548.513308	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+IsoProp+Na+H"	84.054008
"1004366"	274.263476	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+2ACN+2H"	84.067652
"1599235"	549.427928	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+K+HCOOH"	84.968628
"1425988"	579.459438	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+H+CF3COOH"	115.000138
"1162108"	294.776751	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+3ACN+2H"	125.094202
"1704735"	596.485985	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+NH4+CF3COOH"	132.026685
"1639291"	601.44138	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+Na+CF3COOH"	136.98208
"1586973"	617.41532	"C08377"	"1416-Hentriacontanedione;Hentriacontane-1416-dione"	"C31H60O2"	"464.4593"	"M+K+CF3COOH"	152.95602
"816247"	452.4957	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M"	0
"985404"	433.47731	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-H2O-H"	-19.01839
"69272"	300.656524	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M-3H"	-3.021828
"504452"	451.488424	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M-3H"	-3.021828
"894658"	149.824624	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-3H"	-3.021828
"11773"	451.488424	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M-2H"	-2.014552
"448053"	677.736274	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M-2H"	-2.014552
"832058"	225.240574	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-2H"	-2.014552
"93386"	903.984124	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M-H"	-1.007276
"533308"	1356.479824	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M-H"	-1.007276
"905399"	451.488424	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-H"	-1.007276
"51027"	921.010671	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M-2H+NH4"	16.019271
"498240"	1373.506371	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M-2H+NH4"	16.019271
"870575"	468.514971	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-2H+NH4"	16.019271
"34466"	925.966066	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M-2H+Na"	20.974666
"473664"	1378.461766	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M-2H+Na"	20.974666
"855844"	473.470366	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-2H+Na"	20.974666
"1624283"	473.470366	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Na-2H"	20.974666
"99717"	469.476763	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M-H+Cl"	33.962126
"541465"	695.724613	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M-H+Cl"	33.962126
"936074"	243.228913	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-H+Cl"	33.962126
"273540"	939.960802	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+Cl"	34.969402
"664869"	1392.456502	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+Cl"	34.969402
"1276179"	487.465102	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Cl"	34.969402
"16667"	941.940006	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M-2H+K"	36.948606
"459389"	1394.435706	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M-2H+K"	36.948606
"836099"	489.444306	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-2H+K"	36.948606
"1560680"	489.444306	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+K-2H"	36.948606
"944549"	497.493894	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-H+HCOOH"	44.998194
"362765"	949.989601	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+HCOOH-H"	44.998201
"346530"	964.005251	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+Hac-H"	59.013851
"1493173"	511.509551	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Hac-H"	59.013851
"961568"	519.475851	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-H+NaCOOH"	66.980151
"110230"	487.465102	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+2Cl"	69.938804
"550074"	713.712952	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+2Cl"	69.938804
"1021462"	261.217252	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2Cl"	69.938804
"1243151"	531.414585	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Br"	78.918885
"1307059"	533.470572	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Cl+HCOOH"	80.974872
"1328201"	555.452529	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Cl+NaCOOH"	102.956829
"911847"	565.481286	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M-H+CF3COOH"	112.985586
"1290870"	601.457964	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Cl+CF3COOH"	148.962264
"1367570"	417.483024	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H-2H2O"	-35.012676
"1384340"	435.493	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H-H2O"	-17.0027
"282864"	905.998676	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+H"	1.007276
"675995"	1358.494376	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+H"	1.007276
"1353167"	453.502976	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H"	1.007276
"129701"	453.502976	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+2H"	2.014552
"566583"	679.750826	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+2H"	2.014552
"1038792"	227.255126	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2H"	2.014552
"206693"	302.671076	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+3H"	3.021828
"646619"	453.502976	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+3H"	3.021828
"1169118"	151.839176	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+3H"	3.021828
"429110"	923.025223	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+NH4"	18.033823
"790105"	1375.520923	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+NH4"	18.033823
"1689717"	470.529523	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+NH4"	18.033823
"335808"	462.0162495	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+H+NH4"	19.041099
"727139"	688.2640995	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+H+NH4"	19.041099
"1482055"	235.7683995	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H+NH4"	19.041099
"397452"	927.980618	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+Na"	22.989218
"756259"	1380.476318	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+Na"	22.989218
"1605456"	475.484918	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Na"	22.989218
"317677"	464.493947	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+H+Na"	23.996494
"713377"	690.741797	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+H+Na"	23.996494
"1465010"	238.246097	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H+Na"	23.996494
"1056071"	159.16649	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2H+Na"	25.00377
"1264312"	485.529186	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+CH3OH+H"	33.033486
"378875"	943.954558	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+K"	38.963158
"746075"	1396.450258	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+K"	38.963158
"1550327"	491.458858	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+K"	38.963158
"309688"	472.480917	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+H+K"	39.970434
"703204"	698.728767	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+H+K"	39.970434
"1457022"	246.233067	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H+K"	39.970434
"245623"	947.025226	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+ACN+H"	42.033826
"1219425"	494.529526	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+ACN+H"	42.033826
"1205495"	247.768401	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+ACN+2H"	43.041102
"199095"	949.96256	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+2Na-H"	44.97116
"634644"	1402.45826	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+2Na-H"	44.97116
"1139245"	497.46686	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2Na-H"	44.97116
"181444"	475.484918	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+2Na"	45.978436
"619179"	701.732768	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+2Na"	45.978436
"1119403"	249.237068	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2Na"	45.978436
"1399523"	166.493804	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H+2Na"	46.985712
"1430259"	499.508446	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H+HCOOH"	47.012746
"223283"	480.51794	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+3H2O+2H"	56.04448
"1515721"	513.56049	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+IsoProp+H"	61.06479
"413219"	483.471888	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+Na+K"	61.952376
"770934"	709.719738	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+Na+K"	61.952376
"1666536"	257.224038	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Na+K"	61.952376
"252326"	969.007168	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+ACN+Na"	64.015768
"1226166"	516.511468	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+ACN+Na"	64.015768
"1713227"	516.534993	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+NH4+HCOOH"	64.039293
"1180736"	173.821118	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+3Na"	68.967654
"1653915"	521.490388	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Na+HCOOH"	68.994688
"161869"	981.91044	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+2K-H"	76.91904
"598879"	1434.40614	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+2K-H"	76.91904
"1089225"	529.41474	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2K-H"	76.91904
"154669"	491.458858	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"2M+2K"	77.926316
"592164"	717.706708	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"3M+2K"	77.926316
"1078862"	265.211008	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2K"	77.926316
"1110978"	531.429292	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2K+H"	78.933592
"1347364"	531.516907	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+DMSO+H"	79.021207
"1016988"	535.556076	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2ACN+H"	83.060376
"1534018"	536.549708	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+IsoProp+Na+H"	84.054008
"994998"	268.281676	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+2ACN+2H"	84.067652
"1596062"	537.464328	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+K+HCOOH"	84.968628
"1417348"	567.495838	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+H+CF3COOH"	115.000138
"1157479"	288.794951	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+3ACN+2H"	125.094202
"1699377"	584.522385	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+NH4+CF3COOH"	132.026685
"1637213"	589.47778	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+Na+CF3COOH"	136.98208
"1580521"	605.45172	"C08378"	"Hentriacontan-1-ol;1-Hentriacontanol"	"C31H64O"	"452.4957"	"M+K+CF3COOH"	152.95602
"813807"	450.4801	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M"	0
"984421"	431.46171	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-H2O-H"	-19.01839
"67197"	299.312790666667	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M-3H"	-3.021828
"503596"	449.472824	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M-3H"	-3.021828
"894768"	149.152757333333	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-3H"	-3.021828
"11883"	449.472824	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M-2H"	-2.014552
"448162"	674.712874	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M-2H"	-2.014552
"832169"	224.232774	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-2H"	-2.014552
"92887"	899.952924	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M-H"	-1.007276
"530987"	1350.433024	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M-H"	-1.007276
"908789"	449.472824	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-H"	-1.007276
"56604"	916.979471	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M-2H+NH4"	16.019271
"498350"	1367.459571	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M-2H+NH4"	16.019271
"869592"	466.499371	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-2H+NH4"	16.019271
"33845"	921.934866	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M-2H+Na"	20.974666
"478150"	1372.414966	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M-2H+Na"	20.974666
"855954"	471.454766	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-2H+Na"	20.974666
"1623300"	471.454766	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Na-2H"	20.974666
"99827"	467.461163	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M-H+Cl"	33.962126
"540483"	692.701213	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M-H+Cl"	33.962126
"936184"	242.221113	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-H+Cl"	33.962126
"272555"	935.929602	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+Cl"	34.969402
"662790"	1386.409702	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+Cl"	34.969402
"1277382"	485.449502	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Cl"	34.969402
"17994"	937.908806	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M-2H+K"	36.948606
"457433"	1388.388906	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M-2H+K"	36.948606
"838396"	487.428706	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-2H+K"	36.948606
"1561884"	487.428706	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+K-2H"	36.948606
"944661"	495.478294	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-H+HCOOH"	44.998194
"366523"	945.958401	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+HCOOH-H"	44.998201
"350043"	959.974051	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+Hac-H"	59.013851
"1493407"	509.493951	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Hac-H"	59.013851
"966417"	517.460251	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-H+NaCOOH"	66.980151
"112772"	485.449502	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+2Cl"	69.938804
"551116"	710.689552	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+2Cl"	69.938804
"1025506"	260.209452	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2Cl"	69.938804
"1243990"	529.398985	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Br"	78.918885
"1308263"	531.454972	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Cl+HCOOH"	80.974872
"1322478"	553.436929	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Cl+NaCOOH"	102.956829
"915358"	563.465686	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M-H+CF3COOH"	112.985586
"1288789"	599.442364	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Cl+CF3COOH"	148.962264
"1367680"	415.467424	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H-2H2O"	-35.012676
"1383357"	433.4774	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H-H2O"	-17.0027
"282948"	901.967476	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+H"	1.007276
"675984"	1352.447576	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+H"	1.007276
"1355830"	451.487376	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H"	1.007276
"126165"	451.487376	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+2H"	2.014552
"566209"	676.727426	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+2H"	2.014552
"1046922"	226.247326	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2H"	2.014552
"214823"	301.327342666667	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+3H"	3.021828
"653290"	451.487376	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+3H"	3.021828
"1172509"	151.167309333333	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+3H"	3.021828
"433594"	918.994023	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+NH4"	18.033823
"796777"	1369.474123	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+NH4"	18.033823
"1689827"	468.513923	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+NH4"	18.033823
"339198"	460.0006495	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+H+NH4"	19.041099
"726156"	685.2406995	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+H+NH4"	19.041099
"1484351"	234.7605995	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H+NH4"	19.041099
"399749"	923.949418	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+Na"	22.989218
"762929"	1374.429518	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+Na"	22.989218
"1605930"	473.469318	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Na"	22.989218
"319245"	462.478347	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+H+Na"	23.996494
"712393"	687.718397	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+H+Na"	23.996494
"1468399"	237.238297	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H+Na"	23.996494
"1057274"	158.494623333333	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2H+Na"	25.00377
"1265515"	483.513586	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+CH3OH+H"	33.033486
"381173"	939.923358	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+K"	38.963158
"747278"	1390.403458	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+K"	38.963158
"1552618"	489.443258	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+K"	38.963158
"312353"	470.465317	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+H+K"	39.970434
"704410"	695.705367	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+H+K"	39.970434
"1459322"	245.225267	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H+K"	39.970434
"249746"	942.994026	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+ACN+H"	42.033826
"1223181"	492.513926	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+ACN+H"	42.033826
"1207065"	246.760601	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+ACN+2H"	43.041102
"198112"	945.93136	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+2Na-H"	44.97116
"636941"	1396.41146	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+2Na-H"	44.97116
"1137532"	495.45126	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2Na-H"	44.97116
"180095"	473.469318	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+2Na"	45.978436
"619289"	698.709368	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+2Na"	45.978436
"1118784"	248.229268	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2Na"	45.978436
"1400240"	165.821937333333	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H+2Na"	46.985712
"1431139"	497.492846	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H+HCOOH"	47.012746
"224486"	478.50234	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+3H2O+2H"	56.04448
"1518017"	511.54489	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+IsoProp+H"	61.06479
"413329"	481.456288	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+Na+K"	61.952376
"772139"	706.696338	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+Na+K"	61.952376
"1671754"	256.216238	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Na+K"	61.952376
"254627"	964.975968	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+ACN+Na"	64.015768
"1228795"	514.495868	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+ACN+Na"	64.015768
"1715855"	514.519393	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+NH4+HCOOH"	64.039293
"1180846"	173.149251333333	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+3Na"	68.967654
"1657306"	519.474788	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Na+HCOOH"	68.994688
"163074"	977.87924	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+2K-H"	76.91904
"603729"	1428.35934	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+2K-H"	76.91904
"1093709"	527.39914	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2K-H"	76.91904
"151620"	489.443258	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"2M+2K"	77.926316
"592274"	714.683308	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"3M+2K"	77.926316
"1076786"	264.203208	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2K"	77.926316
"1109995"	529.413692	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2K+H"	78.933592
"1346381"	529.501307	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+DMSO+H"	79.021207
"1017098"	533.540476	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2ACN+H"	83.060376
"1533035"	534.534108	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+IsoProp+Na+H"	84.054008
"991825"	267.273876	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+2ACN+2H"	84.067652
"1588518"	535.448728	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+K+HCOOH"	84.968628
"1419645"	565.480238	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+H+CF3COOH"	115.000138
"1153214"	287.787151	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+3ACN+2H"	125.094202
"1699486"	582.506785	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+NH4+CF3COOH"	132.026685
"1637324"	587.46218	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+Na+CF3COOH"	136.98208
"1580631"	603.43612	"C08379"	"Hentriacontan-16-one;16-Hentriacontanone"	"C31H62O"	"450.4801"	"M+K+CF3COOH"	152.95602
"807716"	114.1045	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M"	0
"981250"	95.08611	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-H2O-H"	-19.01839
"67307"	75.0623906666667	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M-3H"	-3.021828
"503025"	113.097224	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M-3H"	-3.021828
"893419"	37.0275573333333	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-3H"	-3.021828
"7620"	113.097224	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M-2H"	-2.014552
"441711"	170.149474	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M-2H"	-2.014552
"830457"	56.044974	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-2H"	-2.014552
"90082"	227.201724	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M-H"	-1.007276
"530004"	341.306224	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M-H"	-1.007276
"905619"	113.097224	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-H"	-1.007276
"54527"	244.228271	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M-2H+NH4"	16.019271
"496275"	358.332771	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M-2H+NH4"	16.019271
"866422"	130.123771	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-2H+NH4"	16.019271
"34322"	249.183666	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M-2H+Na"	20.974666
"478260"	363.288166	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M-2H+Na"	20.974666
"856064"	135.079166	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-2H+Na"	20.974666
"1622316"	135.079166	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Na-2H"	20.974666
"98844"	131.085563	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M-H+Cl"	33.962126
"539498"	188.137813	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M-H+Cl"	33.962126
"931919"	74.033313	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-H+Cl"	33.962126
"271572"	263.178402	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+Cl"	34.969402
"661928"	377.282902	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+Cl"	34.969402
"1274696"	149.073902	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Cl"	34.969402
"17130"	265.157606	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M-2H+K"	36.948606
"456328"	379.262106	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M-2H+K"	36.948606
"835224"	151.053106	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-2H+K"	36.948606
"1559807"	151.053106	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+K-2H"	36.948606
"945137"	159.102694	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-H+HCOOH"	44.998194
"363714"	273.207201	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+HCOOH-H"	44.998201
"346871"	287.222851	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+Hac-H"	59.013851
"1493516"	173.118351	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Hac-H"	59.013851
"967256"	181.084651	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-H+NaCOOH"	66.980151
"113612"	149.073902	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+2Cl"	69.938804
"550862"	206.126152	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+2Cl"	69.938804
"1027075"	92.021652	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2Cl"	69.938804
"1244830"	193.023385	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Br"	78.918885
"1309832"	195.079372	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Cl+HCOOH"	80.974872
"1323318"	217.061329	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Cl+NaCOOH"	102.956829
"917292"	227.090086	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M-H+CF3COOH"	112.985586
"1289992"	263.066764	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Cl+CF3COOH"	148.962264
"1367299"	79.091824	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H-2H2O"	-35.012676
"1382899"	97.1018	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H-H2O"	-17.0027
"283024"	229.216276	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+H"	1.007276
"679587"	343.320776	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+H"	1.007276
"1351685"	115.111776	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H"	1.007276
"127736"	115.111776	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+2H"	2.014552
"566931"	172.164026	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+2H"	2.014552
"1043752"	58.059526	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2H"	2.014552
"211289"	77.0769426666667	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+3H"	3.021828
"650120"	115.111776	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+3H"	3.021828
"1172620"	39.0421093333333	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+3H"	3.021828
"432611"	246.242823	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+NH4"	18.033823
"792513"	360.347323	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+NH4"	18.033823
"1689938"	132.138323	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+NH4"	18.033823
"336028"	123.6250495	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+H+NH4"	19.041099
"726266"	180.6772995	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+H+NH4"	19.041099
"1484461"	66.5727995	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H+NH4"	19.041099
"398766"	251.198218	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+Na"	22.989218
"760853"	365.302718	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+Na"	22.989218
"1610049"	137.093718	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Na"	22.989218
"317897"	126.102747	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+H+Na"	23.996494
"713597"	183.154997	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+H+Na"	23.996494
"1467416"	69.050497	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H+Na"	23.996494
"1055926"	46.3694233333333	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2H+Na"	25.00377
"1263441"	147.137986	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+CH3OH+H"	33.033486
"384200"	267.172158	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+K"	38.963158
"745199"	381.276658	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+K"	38.963158
"1551635"	153.067658	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+K"	38.963158
"312097"	134.089717	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+H+K"	39.970434
"705248"	191.141967	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+H+K"	39.970434
"1459431"	77.037467	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H+K"	39.970434
"249491"	270.242826	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+ACN+H"	42.033826
"1220740"	156.138326	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+ACN+H"	42.033826
"1206446"	78.572801	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+ACN+2H"	43.041102
"197857"	273.18016	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+2Na-H"	44.97116
"635958"	387.28466	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+2Na-H"	44.97116
"1135456"	159.07566	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2Na-H"	44.97116
"183851"	137.093718	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+2Na"	45.978436
"623774"	194.145968	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+2Na"	45.978436
"1121812"	80.041468	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2Na"	45.978436
"1399256"	53.6967373333333	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H+2Na"	46.985712
"1431980"	161.117246	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H+HCOOH"	47.012746
"224960"	142.12674	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+3H2O+2H"	56.04448
"1518127"	175.16929	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+IsoProp+H"	61.06479
"413074"	145.080688	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+Na+K"	61.952376
"773341"	202.132938	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+Na+K"	61.952376
"1670771"	88.028438	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Na+K"	61.952376
"255102"	292.224768	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+ACN+Na"	64.015768
"1229998"	178.120268	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+ACN+Na"	64.015768
"1714508"	178.143793	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+NH4+HCOOH"	64.039293
"1179012"	61.0240513333333	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+3Na"	68.967654
"1657416"	183.099188	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Na+HCOOH"	68.994688
"162091"	305.12804	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+2K-H"	76.91904
"602746"	419.23254	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+2K-H"	76.91904
"1093819"	191.02354	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2K-H"	76.91904
"148450"	153.067658	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"2M+2K"	77.926316
"592384"	210.119908	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"3M+2K"	77.926316
"1076896"	96.015408	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2K"	77.926316
"1109012"	193.038092	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2K+H"	78.933592
"1346491"	193.125707	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+DMSO+H"	79.021207
"1018303"	197.164876	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2ACN+H"	83.060376
"1536427"	198.158508	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+IsoProp+Na+H"	84.054008
"995218"	99.086076	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+2ACN+2H"	84.067652
"1595189"	199.073128	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+K+HCOOH"	84.968628
"1418662"	229.104638	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+H+CF3COOH"	115.000138
"1157700"	119.599351	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+3ACN+2H"	125.094202
"1708345"	246.131185	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+NH4+CF3COOH"	132.026685
"1637433"	251.08658	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+Na+CF3COOH"	136.98208
"1574180"	267.06052	"C08380"	"2-Heptanone;Heptan-2-one;Methyl n-amyl ketone"	"C7H14O"	"114.1045"	"M+K+CF3COOH"	152.95602
"807826"	382.4175	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M"	0
"981360"	363.39911	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-H2O-H"	-19.01839
"67417"	253.937724	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M-3H"	-3.021828
"503695"	381.410224	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M-3H"	-3.021828
"893529"	126.465224	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-3H"	-3.021828
"11010"	381.410224	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M-2H"	-2.014552
"442914"	572.618974	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M-2H"	-2.014552
"829837"	190.201474	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-2H"	-2.014552
"92016"	763.827724	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M-H"	-1.007276
"529752"	1146.245224	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M-H"	-1.007276
"906824"	381.410224	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-H"	-1.007276
"57553"	780.854271	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M-2H+NH4"	16.019271
"497843"	1163.271771	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M-2H+NH4"	16.019271
"868718"	398.436771	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-2H+NH4"	16.019271
"33338"	785.809666	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M-2H+Na"	20.974666
"482746"	1168.227166	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M-2H+Na"	20.974666
"856174"	403.392166	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-2H+Na"	20.974666
"1621333"	403.392166	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Na-2H"	20.974666
"100049"	399.398563	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M-H+Cl"	33.962126
"542892"	590.607313	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M-H+Cl"	33.962126
"934218"	208.189813	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-H+Cl"	33.962126
"269134"	799.804402	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+Cl"	34.969402
"663377"	1182.221902	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+Cl"	34.969402
"1275051"	417.386902	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Cl"	34.969402
"17242"	801.783606	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M-2H+K"	36.948606
"457897"	1184.201106	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M-2H+K"	36.948606
"838617"	419.366106	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-2H+K"	36.948606
"1559188"	419.366106	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+K-2H"	36.948606
"945977"	427.415694	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-H+HCOOH"	44.998194
"364556"	809.833201	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+HCOOH-H"	44.998201
"348442"	823.848851	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+Hac-H"	59.013851
"1494354"	441.431351	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Hac-H"	59.013851
"965181"	449.397651	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-H+NaCOOH"	66.980151
"111901"	417.386902	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+2Cl"	69.938804
"551091"	608.595652	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+2Cl"	69.938804
"1021956"	226.178152	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2Cl"	69.938804
"1243483"	461.336385	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Br"	78.918885
"1307755"	463.392372	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Cl+HCOOH"	80.974872
"1323064"	485.374329	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Cl+NaCOOH"	102.956829
"918496"	495.403086	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M-H+CF3COOH"	112.985586
"1290830"	531.379764	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Cl+CF3COOH"	148.962264
"1367047"	347.404824	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H-2H2O"	-35.012676
"1382965"	365.4148	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H-H2O"	-17.0027
"282974"	765.842276	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+H"	1.007276
"676330"	1148.259776	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+H"	1.007276
"1353864"	383.424776	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H"	1.007276
"130033"	383.424776	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+2H"	2.014552
"569593"	574.633526	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+2H"	2.014552
"1037172"	192.216026	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2H"	2.014552
"205194"	255.952276	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+3H"	3.021828
"652419"	383.424776	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+3H"	3.021828
"1169452"	128.479776	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+3H"	3.021828
"434544"	782.868823	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+NH4"	18.033823
"791530"	1165.286323	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+NH4"	18.033823
"1690048"	400.451323	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+NH4"	18.033823
"339420"	391.9380495	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+H+NH4"	19.041099
"729656"	583.1467995	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+H+NH4"	19.041099
"1485664"	200.7292995	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H+NH4"	19.041099
"396689"	787.824218	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+Na"	22.989218
"758776"	1170.241718	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+Na"	22.989218
"1607973"	405.406718	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Na"	22.989218
"322380"	394.415747	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+H+Na"	23.996494
"712614"	585.624497	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+H+Na"	23.996494
"1468620"	203.206997	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H+Na"	23.996494
"1057494"	135.80709	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2H+Na"	25.00377
"1260267"	415.450986	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+CH3OH+H"	33.033486
"378841"	803.798158	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+K"	38.963158
"748587"	1186.215658	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+K"	38.963158
"1551744"	421.380658	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+K"	38.963158
"310021"	402.402717	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+H+K"	39.970434
"705719"	593.611467	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+H+K"	39.970434
"1459540"	211.193967	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H+K"	39.970434
"249965"	806.868826	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+ACN+H"	42.033826
"1220486"	424.451326	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+ACN+H"	42.033826
"1206556"	212.729301	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+ACN+2H"	43.041102
"197603"	809.80616	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+2Na-H"	44.97116
"636068"	1192.22366	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+2Na-H"	44.97116
"1142857"	427.38866	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2Na-H"	44.97116
"186150"	405.406718	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+2Na"	45.978436
"623520"	596.615468	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+2Na"	45.978436
"1123015"	214.197968	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2Na"	45.978436
"1399975"	143.134404	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H+2Na"	46.985712
"1430753"	429.430246	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H+HCOOH"	47.012746
"225070"	410.43974	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+3H2O+2H"	56.04448
"1514957"	443.48229	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+IsoProp+H"	61.06479
"413184"	413.393688	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+Na+K"	61.952376
"773451"	604.602438	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+Na+K"	61.952376
"1669786"	222.184938	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Na+K"	61.952376
"256306"	828.850768	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+ACN+Na"	64.015768
"1227921"	446.433268	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+ACN+Na"	64.015768
"1715713"	446.456793	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+NH4+HCOOH"	64.039293
"1179974"	150.461718	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+3Na"	68.967654
"1662994"	451.412188	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Na+HCOOH"	68.994688
"165481"	841.75404	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+2K-H"	76.91904
"602856"	1224.17154	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+2K-H"	76.91904
"1093930"	459.33654	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2K-H"	76.91904
"151840"	421.380658	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"2M+2K"	77.926316
"595414"	612.589408	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"3M+2K"	77.926316
"1080287"	230.171908	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2K"	77.926316
"1113133"	461.351092	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2K+H"	78.933592
"1344414"	461.438707	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+DMSO+H"	79.021207
"1017689"	465.477876	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2ACN+H"	83.060376
"1537632"	466.471508	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+IsoProp+Na+H"	84.054008
"1000797"	233.242576	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+2ACN+2H"	84.067652
"1595299"	467.386128	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+K+HCOOH"	84.968628
"1426063"	497.417638	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+H+CF3COOH"	115.000138
"1157809"	253.755851	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+3ACN+2H"	125.094202
"1712630"	514.444185	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+NH4+CF3COOH"	132.026685
"1634423"	519.39958	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+Na+CF3COOH"	136.98208
"1574290"	535.37352	"C08381"	"Hexacosan-1-ol;1-Hexacosanol"	"C26H54O"	"382.4175"	"M+K+CF3COOH"	152.95602
"807936"	187.8917	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M"	0
"981469"	168.87331	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-H2O-H"	-19.01839
"66429"	124.253857333333	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M-3H"	-3.021828
"508178"	186.884424	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M-3H"	-3.021828
"893639"	61.6232906666667	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-3H"	-3.021828
"13307"	186.884424	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M-2H"	-2.014552
"445211"	280.830274	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M-2H"	-2.014552
"830314"	92.938574	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-2H"	-2.014552
"91762"	374.776124	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M-H"	-1.007276
"531685"	562.667824	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M-H"	-1.007276
"907301"	186.884424	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-H"	-1.007276
"57666"	391.802671	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M-2H+NH4"	16.019271
"498320"	579.694371	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M-2H+NH4"	16.019271
"868828"	203.910971	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-2H+NH4"	16.019271
"40008"	396.758066	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M-2H+Na"	20.974666
"481762"	584.649766	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M-2H+Na"	20.974666
"859567"	208.866366	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-2H+Na"	20.974666
"1623630"	208.866366	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Na-2H"	20.974666
"103439"	204.872763	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M-H+Cl"	33.962126
"546281"	298.818613	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M-H+Cl"	33.962126
"936515"	110.926913	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-H+Cl"	33.962126
"273982"	410.752802	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+Cl"	34.969402
"660355"	598.644502	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+Cl"	34.969402
"1272768"	222.861102	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Cl"	34.969402
"17109"	412.732006	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M-2H+K"	36.948606
"455738"	600.623706	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M-2H+K"	36.948606
"836540"	224.840306	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-2H+K"	36.948606
"1558933"	224.840306	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+K-2H"	36.948606
"944994"	232.889894	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-H+HCOOH"	44.998194
"363936"	420.781601	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+HCOOH-H"	44.998201
"348187"	434.797251	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+Hac-H"	59.013851
"1498844"	246.905551	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Hac-H"	59.013851
"962011"	254.871851	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-H+NaCOOH"	66.980151
"111281"	222.861102	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+2Cl"	69.938804
"552663"	316.806952	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+2Cl"	69.938804
"1022554"	128.915252	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2Cl"	69.938804
"1242254"	266.810585	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Br"	78.918885
"1307499"	268.866572	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Cl+HCOOH"	80.974872
"1321348"	290.848529	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Cl+NaCOOH"	102.956829
"914958"	300.877286	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M-H+CF3COOH"	112.985586
"1294221"	336.853964	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Cl+CF3COOH"	148.962264
"1375671"	152.879024	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H-2H2O"	-35.012676
"1396814"	170.889	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H-H2O"	-17.0027
"296137"	376.790676	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+H"	1.007276
"686372"	564.682376	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+H"	1.007276
"1352881"	188.898976	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H"	1.007276
"125779"	188.898976	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+2H"	2.014552
"570797"	282.844826	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+2H"	2.014552
"1045068"	94.953126	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2H"	2.014552
"211875"	126.268409333333	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+3H"	3.021828
"647425"	188.898976	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+3H"	3.021828
"1170656"	63.6378426666667	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+3H"	3.021828
"431740"	393.817223	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+NH4"	18.033823
"792734"	581.708923	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+NH4"	18.033823
"1689068"	205.925523	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+NH4"	18.033823
"335159"	197.4122495	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+H+NH4"	19.041099
"726486"	291.3580995	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+H+NH4"	19.041099
"1483589"	103.4663995	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H+NH4"	19.041099
"403363"	398.772618	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+Na"	22.989218
"762172"	586.664318	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+Na"	22.989218
"1611363"	210.880918	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Na"	22.989218
"320307"	199.889947	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+H+Na"	23.996494
"716004"	293.835797	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+H+Na"	23.996494
"1469826"	105.944097	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H+Na"	23.996494
"1060884"	70.9651566666667	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2H+Na"	25.00377
"1266939"	220.925186	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+CH3OH+H"	33.033486
"385513"	414.746558	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+K"	38.963158
"747604"	602.638258	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+K"	38.963158
"1548573"	226.854858	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+K"	38.963158
"311950"	207.876917	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+H+K"	39.970434
"700361"	301.822767	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+H+K"	39.970434
"1458555"	113.931067	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H+K"	39.970434
"248252"	417.817226	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+ACN+H"	42.033826
"1219867"	229.925526	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+ACN+H"	42.033826
"1204477"	115.466401	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+ACN+2H"	43.041102
"199900"	420.75456	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+2Na-H"	44.97116
"640922"	608.64626	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+2Na-H"	44.97116
"1144060"	232.86286	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2Na-H"	44.97116
"186018"	210.880918	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+2Na"	45.978436
"626546"	304.826768	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+2Na"	45.978436
"1124219"	116.935068	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2Na"	45.978436
"1405189"	78.2924706666667	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H+2Na"	46.985712
"1440584"	234.904446	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H+HCOOH"	47.012746
"225909"	215.91394	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+3H2O+2H"	56.04448
"1515431"	248.95649	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+IsoProp+H"	61.06479
"411836"	218.867888	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+Na+K"	61.952376
"774655"	312.813738	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+Na+K"	61.952376
"1669897"	124.922038	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Na+K"	61.952376
"255322"	439.799168	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+ACN+Na"	64.015768
"1226937"	251.907468	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+ACN+Na"	64.015768
"1715094"	251.930993	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+NH4+HCOOH"	64.039293
"1181542"	85.6197846666667	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+3Na"	68.967654
"1659824"	256.886388	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Na+HCOOH"	68.994688
"165591"	452.70244	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+2K-H"	76.91904
"602966"	640.59414	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+2K-H"	76.91904
"1094040"	264.81074	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2K-H"	76.91904
"151950"	226.854858	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"2M+2K"	77.926316
"589328"	320.800708	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"3M+2K"	77.926316
"1078211"	132.909008	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2K"	77.926316
"1109232"	266.825292	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2K+H"	78.933592
"1342337"	266.912907	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+DMSO+H"	79.021207
"1017429"	270.952076	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2ACN+H"	83.060376
"1532273"	271.945708	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+IsoProp+Na+H"	84.054008
"1003096"	135.979676	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+2ACN+2H"	84.067652
"1599421"	272.860328	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+K+HCOOH"	84.968628
"1425080"	302.891838	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+H+CF3COOH"	115.000138
"1154639"	156.492951	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+3ACN+2H"	125.094202
"1702003"	319.918385	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+NH4+CF3COOH"	132.026685
"1634534"	324.87378	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+Na+CF3COOH"	136.98208
"1574400"	340.84772	"C08382"	"Lenthionine;12356-Pentathiepane"	"C2H4S5"	"187.8917"	"M+K+CF3COOH"	152.95602
"808046"	120.0067	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M"	0
"978299"	100.98831	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-H2O-H"	-19.01839
"64352"	78.9971906666667	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M-3H"	-3.021828
"503059"	118.999424	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M-3H"	-3.021828
"882810"	38.9949573333333	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-3H"	-3.021828
"11230"	118.999424	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M-2H"	-2.014552
"449696"	179.002774	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M-2H"	-2.014552
"827505"	58.996074	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-2H"	-2.014552
"88955"	239.006124	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M-H"	-1.007276
"529609"	359.012824	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M-H"	-1.007276
"907774"	118.999424	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-H"	-1.007276
"56683"	256.032671	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M-2H+NH4"	16.019271
"498793"	376.039371	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M-2H+NH4"	16.019271
"873314"	136.025971	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-2H+NH4"	16.019271
"44494"	260.988066	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M-2H+Na"	20.974666
"481872"	380.994766	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M-2H+Na"	20.974666
"859677"	140.981366	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-2H+Na"	20.974666
"1628115"	140.981366	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Na-2H"	20.974666
"104642"	136.987763	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M-H+Cl"	33.962126
"545298"	196.991113	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M-H+Cl"	33.962126
"935532"	76.984413	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-H+Cl"	33.962126
"269718"	274.982802	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+Cl"	34.969402
"660666"	394.989502	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+Cl"	34.969402
"1273480"	154.976102	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Cl"	34.969402
"16123"	276.962006	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M-2H+K"	36.948606
"456291"	396.968706	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M-2H+K"	36.948606
"835920"	156.955306	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-2H+K"	36.948606
"1557221"	156.955306	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+K-2H"	36.948606
"946562"	165.004894	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-H+HCOOH"	44.998194
"365505"	285.011601	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+HCOOH-H"	44.998201
"352309"	299.027251	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+Hac-H"	59.013851
"1498954"	179.020551	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Hac-H"	59.013851
"962121"	186.986851	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-H+NaCOOH"	66.980151
"113215"	154.976102	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+2Cl"	69.938804
"552045"	214.979452	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+2Cl"	69.938804
"1023395"	94.972752	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2Cl"	69.938804
"1244432"	198.925585	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Br"	78.918885
"1305422"	200.981572	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Cl+HCOOH"	80.974872
"1322189"	222.963529	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Cl+NaCOOH"	102.956829
"916529"	232.992286	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M-H+CF3COOH"	112.985586
"1294331"	268.968964	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Cl+CF3COOH"	148.962264
"1375781"	84.994024	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H-2H2O"	-35.012676
"1397654"	103.004	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H-H2O"	-17.0027
"298233"	241.020676	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+H"	1.007276
"689762"	361.027376	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+H"	1.007276
"1355178"	121.013976	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H"	1.007276
"126975"	121.013976	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+2H"	2.014552
"570907"	181.017326	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+2H"	2.014552
"1041897"	61.010626	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2H"	2.014552
"211984"	81.0117426666667	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+3H"	3.021828
"650451"	121.013976	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+3H"	3.021828
"1170765"	41.0095093333333	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+3H"	3.021828
"430758"	258.047223	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+NH4"	18.033823
"791753"	378.053923	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+NH4"	18.033823
"1688085"	138.040523	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+NH4"	18.033823
"336362"	129.5272495	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+H+NH4"	19.041099
"727691"	189.5305995	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+H+NH4"	19.041099
"1486982"	69.5238995	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H+NH4"	19.041099
"400194"	263.002618	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+Na"	22.989218
"762282"	383.009318	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+Na"	22.989218
"1607464"	142.995918	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Na"	22.989218
"319322"	132.004947	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+H+Na"	23.996494
"711740"	192.008297	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+H+Na"	23.996494
"1464469"	72.001597	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H+Na"	23.996494
"1056620"	48.3368233333333	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2H+Na"	25.00377
"1264865"	153.040186	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+CH3OH+H"	33.033486
"384534"	278.976558	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+K"	38.963158
"743342"	398.983258	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+K"	38.963158
"1549776"	158.969858	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+K"	38.963158
"310238"	139.991917	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+H+K"	39.970434
"704843"	199.995267	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+H+K"	39.970434
"1456479"	79.988567	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H+K"	39.970434
"246174"	282.047226	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+ACN+H"	42.033826
"1218884"	162.040526	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+ACN+H"	42.033826
"1200580"	81.523901	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+ACN+2H"	43.041102
"197828"	284.98456	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+2Na-H"	44.97116
"638478"	404.99126	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+2Na-H"	44.97116
"1141984"	164.97786	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2Na-H"	44.97116
"183089"	142.995918	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+2Na"	45.978436
"623015"	202.999268	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+2Na"	45.978436
"1122143"	82.992568	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2Na"	45.978436
"1408580"	55.6641373333333	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H+2Na"	46.985712
"1438509"	167.019446	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H+HCOOH"	47.012746
"229296"	148.02894	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+3H2O+2H"	56.04448
"1512261"	181.07149	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+IsoProp+H"	61.06479
"408785"	150.982888	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+Na+K"	61.952376
"769969"	210.986238	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+Na+K"	61.952376
"1666727"	90.979538	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Na+K"	61.952376
"251659"	304.029168	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+ACN+Na"	64.015768
"1225943"	184.022468	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+ACN+Na"	64.015768
"1713380"	184.045993	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+NH4+HCOOH"	64.039293
"1180184"	62.9914513333333	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+3Na"	68.967654
"1658841"	189.001388	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Na+HCOOH"	68.994688
"160234"	316.93244	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+2K-H"	76.91904
"600160"	436.93914	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+2K-H"	76.91904
"1091234"	196.92574	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2K-H"	76.91904
"150967"	158.969858	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"2M+2K"	77.926316
"592717"	218.973208	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"3M+2K"	77.926316
"1077228"	98.966508	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2K"	77.926316
"1112626"	198.940292	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2K+H"	78.933592
"1344276"	199.027907	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+DMSO+H"	79.021207
"1017177"	203.067076	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2ACN+H"	83.060376
"1532384"	204.060708	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+IsoProp+Na+H"	84.054008
"998838"	102.037176	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+2ACN+2H"	84.067652
"1598804"	204.975328	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+K+HCOOH"	84.968628
"1424461"	235.006838	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+H+CF3COOH"	115.000138
"1154749"	122.550451	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+3ACN+2H"	125.094202
"1699927"	252.033385	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+NH4+CF3COOH"	132.026685
"1636670"	256.98878	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+Na+CF3COOH"	136.98208
"1571958"	272.96272	"C08383"	"Methyl allyl disulfide;Allyl methyl disulfide"	"C4H8S2"	"120.0067"	"M+K+CF3COOH"	152.95602
"808156"	408.4695	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M"	0
"979502"	389.45111	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-H2O-H"	-19.01839
"64461"	271.305724	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M-3H"	-3.021828
"503898"	407.462224	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M-3H"	-3.021828
"881827"	135.149224	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-3H"	-3.021828
"10247"	407.462224	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M-2H"	-2.014552
"447620"	611.696974	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M-2H"	-2.014552
"830529"	203.227474	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-2H"	-2.014552
"89429"	815.931724	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M-H"	-1.007276
"529351"	1224.401224	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M-H"	-1.007276
"904967"	407.462224	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-H"	-1.007276
"57157"	832.958271	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M-2H+NH4"	16.019271
"496716"	1241.427771	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M-2H+NH4"	16.019271
"872331"	424.488771	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-2H+NH4"	16.019271
"41325"	837.913666	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M-2H+Na"	20.974666
"481983"	1246.383166	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M-2H+Na"	20.974666
"859788"	429.444166	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-2H+Na"	20.974666
"1627131"	429.444166	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Na-2H"	20.974666
"102566"	425.450563	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M-H+Cl"	33.962126
"544313"	629.685313	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M-H+Cl"	33.962126
"936735"	221.215813	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-H+Cl"	33.962126
"269464"	851.908402	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+Cl"	34.969402
"663346"	1260.377902	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+Cl"	34.969402
"1273430"	443.438902	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Cl"	34.969402
"17209"	853.887606	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M-2H+K"	36.948606
"457134"	1262.357106	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M-2H+K"	36.948606
"837124"	445.418106	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-2H+K"	36.948606
"1560611"	445.418106	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+K-2H"	36.948606
"945214"	453.467694	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-H+HCOOH"	44.998194
"365250"	861.937201	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+HCOOH-H"	44.998201
"351327"	875.952851	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+Hac-H"	59.013851
"1500158"	467.483351	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Hac-H"	59.013851
"964419"	475.449651	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-H+NaCOOH"	66.980151
"114418"	443.438902	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+2Cl"	69.938804
"552520"	647.673652	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+2Cl"	69.938804
"1025695"	239.204152	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2Cl"	69.938804
"1246003"	487.388385	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Br"	78.918885
"1306261"	489.444372	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Cl+HCOOH"	80.974872
"1322299"	511.426329	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Cl+NaCOOH"	102.956829
"916639"	521.455086	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M-H+CF3COOH"	112.985586
"1293346"	557.431764	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Cl+CF3COOH"	148.962264
"1367617"	373.456824	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H-2H2O"	-35.012676
"1397768"	391.4668	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H-H2O"	-17.0027
"296721"	817.946276	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+H"	1.007276
"683311"	1226.415776	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+H"	1.007276
"1355288"	409.476776	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H"	1.007276
"130365"	409.476776	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+2H"	2.014552
"571017"	613.711526	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+2H"	2.014552
"1042010"	205.242026	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2H"	2.014552
"214282"	273.320276	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+3H"	3.021828
"653846"	409.476776	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+3H"	3.021828
"1168691"	137.163776	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+3H"	3.021828
"430869"	834.972823	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+NH4"	18.033823
"794051"	1243.442323	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+NH4"	18.033823
"1690382"	426.503323	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+NH4"	18.033823
"337568"	417.9900495	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+H+NH4"	19.041099
"735459"	622.2247995	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+H+NH4"	19.041099
"1487092"	213.7552995	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H+NH4"	19.041099
"403585"	839.928218	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+Na"	22.989218
"764581"	1248.397718	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+Na"	22.989218
"1611585"	431.458718	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Na"	22.989218
"316154"	420.467747	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+H+Na"	23.996494
"712944"	624.702497	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+H+Na"	23.996494
"1465671"	216.232997	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H+Na"	23.996494
"1057822"	144.49109	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2H+Na"	25.00377
"1261696"	441.502986	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+CH3OH+H"	33.033486
"383555"	855.902158	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+K"	38.963158
"743457"	1264.371658	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+K"	38.963158
"1550988"	447.432658	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+K"	38.963158
"309984"	428.454717	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+H+K"	39.970434
"702769"	632.689467	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+H+K"	39.970434
"1456590"	224.219967	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H+K"	39.970434
"248107"	858.972826	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+ACN+H"	42.033826
"1223000"	450.503326	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+ACN+H"	42.033826
"1206884"	225.755301	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+ACN+2H"	43.041102
"200121"	861.91016	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+2Na-H"	44.97116
"641140"	1270.37966	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+2Na-H"	44.97116
"1142828"	453.44066	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2Na-H"	44.97116
"184660"	431.458718	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+2Na"	45.978436
"623853"	635.693468	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+2Na"	45.978436
"1124077"	227.223968	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2Na"	45.978436
"1407600"	151.818404	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H+2Na"	46.985712
"1437527"	455.482246	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H+HCOOH"	47.012746
"231595"	436.49174	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+3H2O+2H"	56.04448
"1516382"	469.53429	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+IsoProp+H"	61.06479
"413881"	439.445688	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+Na+K"	61.952376
"771958"	643.680438	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+Na+K"	61.952376
"1666346"	235.210938	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Na+K"	61.952376
"252504"	880.954768	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+ACN+Na"	64.015768
"1226300"	472.485268	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+ACN+Na"	64.015768
"1715305"	472.508793	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+NH4+HCOOH"	64.039293
"1185776"	159.145718	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+3Na"	68.967654
"1658951"	477.464188	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Na+HCOOH"	68.994688
"165812"	893.85804	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+2K-H"	76.91904
"608654"	1302.32754	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+2K-H"	76.91904
"1090616"	485.38854	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2K-H"	76.91904
"153266"	447.432658	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"2M+2K"	77.926316
"592101"	651.667408	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"3M+2K"	77.926316
"1080257"	243.197908	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2K"	77.926316
"1109458"	487.403092	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2K+H"	78.933592
"1343659"	487.490707	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+DMSO+H"	79.021207
"1014373"	491.529876	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2ACN+H"	83.060376
"1534683"	492.523508	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+IsoProp+Na+H"	84.054008
"1002592"	246.268576	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+2ACN+2H"	84.067652
"1598915"	493.438128	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+K+HCOOH"	84.968628
"1424573"	523.469638	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+H+CF3COOH"	115.000138
"1151580"	266.781851	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+3ACN+2H"	125.094202
"1700037"	540.496185	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+NH4+CF3COOH"	132.026685
"1636780"	545.45158	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+Na+CF3COOH"	136.98208
"1572433"	561.42552	"C08384"	"Nonacosane"	"C29H60"	"408.4695"	"M+K+CF3COOH"	152.95602
"808266"	424.4644	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M"	0
"979612"	405.44601	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-H2O-H"	-19.01839
"64572"	281.968990666667	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M-3H"	-3.021828
"503481"	423.457124	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M-3H"	-3.021828
"880843"	140.480857333333	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-3H"	-3.021828
"5984"	423.457124	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M-2H"	-2.014552
"447729"	635.689324	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M-2H"	-2.014552
"824437"	211.224924	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-2H"	-2.014552
"85524"	847.921524	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M-H"	-1.007276
"524354"	1272.385924	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M-H"	-1.007276
"908356"	423.457124	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-H"	-1.007276
"56168"	864.948071	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M-2H+NH4"	16.019271
"501197"	1289.412471	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M-2H+NH4"	16.019271
"874627"	440.483671	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-2H+NH4"	16.019271
"42527"	869.903466	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M-2H+Na"	20.974666
"483186"	1294.367866	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M-2H+Na"	20.974666
"857709"	445.439066	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-2H+Na"	20.974666
"1626150"	445.439066	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Na-2H"	20.974666
"100489"	441.445463	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M-H+Cl"	33.962126
"543330"	653.677663	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M-H+Cl"	33.962126
"934659"	229.213263	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-H+Cl"	33.962126
"269939"	883.898202	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+Cl"	34.969402
"664184"	1308.362602	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+Cl"	34.969402
"1274034"	459.433802	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Cl"	34.969402
"18777"	885.877406	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M-2H+K"	36.948606
"457000"	1310.341806	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M-2H+K"	36.948606
"835047"	461.413006	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-2H+K"	36.948606
"1560357"	461.413006	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+K-2H"	36.948606
"944593"	469.462594	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-H+HCOOH"	44.998194
"363903"	893.927001	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+HCOOH-H"	44.998201
"352530"	907.942651	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+Hac-H"	59.013851
"1497352"	483.478251	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Hac-H"	59.013851
"959788"	491.444551	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-H+NaCOOH"	66.980151
"111485"	459.433802	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+2Cl"	69.938804
"550804"	671.666002	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+2Cl"	69.938804
"1022154"	247.201602	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2Cl"	69.938804
"1246477"	503.383285	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Br"	78.918885
"1305641"	505.439272	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Cl+HCOOH"	80.974872
"1324596"	527.421229	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Cl+NaCOOH"	102.956829
"915289"	537.449986	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M-H+CF3COOH"	112.985586
"1289444"	573.426664	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Cl+CF3COOH"	148.962264
"1367238"	389.451724	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H-2H2O"	-35.012676
"1391311"	407.4617	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H-H2O"	-17.0027
"288810"	849.936076	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+H"	1.007276
"684513"	1274.400476	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+H"	1.007276
"1355398"	425.471676	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H"	1.007276
"127315"	425.471676	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+2H"	2.014552
"571127"	637.703876	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+2H"	2.014552
"1044307"	213.239476	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2H"	2.014552
"216578"	283.983542666667	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+3H"	3.021828
"652863"	425.471676	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+3H"	3.021828
"1168802"	142.495409333333	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+3H"	3.021828
"434258"	866.962623	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+NH4"	18.033823
"795254"	1291.427023	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+NH4"	18.033823
"1691584"	442.498223	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+NH4"	18.033823
"338770"	433.9849495	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+H+NH4"	19.041099
"732288"	646.2171495	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+H+NH4"	19.041099
"1483922"	221.7527495	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H+NH4"	19.041099
"400414"	871.918018	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+Na"	22.989218
"765784"	1296.382418	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+Na"	22.989218
"1612788"	447.453618	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Na"	22.989218
"319544"	436.462647	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+H+Na"	23.996494
"714148"	648.694847	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+H+Na"	23.996494
"1465782"	224.230447	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H+Na"	23.996494
"1057204"	149.822723333333	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2H+Na"	25.00377
"1262897"	457.497886	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+CH3OH+H"	33.033486
"382569"	887.891958	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+K"	38.963158
"740284"	1312.356358	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+K"	38.963158
"1552920"	463.427558	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+K"	38.963158
"309366"	444.449617	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+H+K"	39.970434
"701786"	656.681817	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+H+K"	39.970434
"1456699"	232.217417	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H+K"	39.970434
"246395"	890.962626	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+ACN+H"	42.033826
"1220196"	466.498226	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+ACN+H"	42.033826
"1206994"	233.752751	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+ACN+2H"	43.041102
"199139"	893.89996	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+2Na-H"	44.97116
"639791"	1318.36436	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+2Na-H"	44.97116
"1141115"	469.43556	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2Na-H"	44.97116
"182219"	447.453618	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+2Na"	45.978436
"622871"	659.685818	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+2Na"	45.978436
"1125280"	235.221418	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2Na"	45.978436
"1407710"	157.150037333333	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H+2Na"	46.985712
"1437636"	471.477146	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H+HCOOH"	47.012746
"231705"	452.48664	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+3H2O+2H"	56.04448
"1516492"	485.52919	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+IsoProp+H"	61.06479
"417271"	455.440588	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+Na+K"	61.952376
"770974"	667.672788	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+Na+K"	61.952376
"1666943"	243.208388	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Na+K"	61.952376
"252249"	912.944568	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+ACN+Na"	64.015768
"1226049"	488.480168	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+ACN+Na"	64.015768
"1714329"	488.503693	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+NH4+HCOOH"	64.039293
"1185886"	164.477351333333	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+3Na"	68.967654
"1659061"	493.459088	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Na+HCOOH"	68.994688
"163007"	925.84784	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+2K-H"	76.91904
"606579"	1350.31224	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+2K-H"	76.91904
"1088175"	501.38344	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2K-H"	76.91904
"151918"	463.427558	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"2M+2K"	77.926316
"589659"	675.659758	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"3M+2K"	77.926316
"1078541"	251.195358	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2K"	77.926316
"1109205"	503.397992	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2K+H"	78.933592
"1343768"	503.485607	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+DMSO+H"	79.021207
"1013390"	507.524776	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2ACN+H"	83.060376
"1534795"	508.518408	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+IsoProp+Na+H"	84.054008
"1002336"	254.266026	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+2ACN+2H"	84.067652
"1599024"	509.433028	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+K+HCOOH"	84.968628
"1426505"	539.464538	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+H+CF3COOH"	115.000138
"1158251"	274.779301	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+3ACN+2H"	125.094202
"1702334"	556.491085	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+NH4+CF3COOH"	132.026685
"1634703"	561.44648	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+Na+CF3COOH"	136.98208
"1572543"	577.42042	"C08385"	"(10S)-Nonacosan-10-ol;Ginnol"	"C29H60O"	"424.4644"	"M+K+CF3COOH"	152.95602
"808376"	422.4488	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M"	0
"979722"	403.43041	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-H2O-H"	-19.01839
"64683"	280.625257333333	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M-3H"	-3.021828
"503148"	421.441524	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M-3H"	-3.021828
"880342"	139.808990666667	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-3H"	-3.021828
"6094"	421.441524	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M-2H"	-2.014552
"446746"	632.665924	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M-2H"	-2.014552
"824548"	210.217124	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-2H"	-2.014552
"84541"	843.890324	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M-H"	-1.007276
"523371"	1266.339124	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M-H"	-1.007276
"906279"	421.441524	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-H"	-1.007276
"55185"	860.916871	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M-2H+NH4"	16.019271
"498028"	1283.365671	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M-2H+NH4"	16.019271
"871458"	438.468071	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-2H+NH4"	16.019271
"32794"	865.872266	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M-2H+Na"	20.974666
"482203"	1288.321066	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M-2H+Na"	20.974666
"856727"	443.423466	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-2H+Na"	20.974666
"1624074"	443.423466	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Na-2H"	20.974666
"100603"	439.429863	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M-H+Cl"	33.962126
"540161"	650.654263	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M-H+Cl"	33.962126
"931490"	228.205463	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-H+Cl"	33.962126
"273332"	879.867002	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+Cl"	34.969402
"664660"	1302.315802	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+Cl"	34.969402
"1275602"	457.418202	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Cl"	34.969402
"22899"	881.846206	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M-2H+K"	36.948606
"458812"	1304.295006	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M-2H+K"	36.948606
"834792"	459.397406	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-2H+K"	36.948606
"1557914"	459.397406	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+K-2H"	36.948606
"943975"	467.446994	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-H+HCOOH"	44.998194
"362918"	889.895801	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+HCOOH-H"	44.998201
"347531"	903.911451	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+Hac-H"	59.013851
"1497461"	481.462651	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Hac-H"	59.013851
"961359"	489.428951	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-H+NaCOOH"	66.980151
"110666"	457.418202	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+2Cl"	69.938804
"552740"	668.642602	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+2Cl"	69.938804
"1021903"	246.193802	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2Cl"	69.938804
"1242940"	501.367685	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Br"	78.918885
"1305751"	503.423672	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Cl+HCOOH"	80.974872
"1326894"	525.405629	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Cl+NaCOOH"	102.956829
"915766"	535.434386	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M-H+CF3COOH"	112.985586
"1290283"	571.411064	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Cl+CF3COOH"	148.962264
"1367837"	387.436124	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H-2H2O"	-35.012676
"1391421"	405.4461	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H-H2O"	-17.0027
"290013"	845.904876	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+H"	1.007276
"683530"	1268.353676	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+H"	1.007276
"1357695"	423.456076	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H"	1.007276
"130584"	423.456076	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+2H"	2.014552
"571237"	634.680476	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+2H"	2.014552
"1046604"	212.231676	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2H"	2.014552
"214502"	282.639809333333	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+3H"	3.021828
"658441"	423.456076	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+3H"	3.021828
"1171098"	141.823542666667	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+3H"	3.021828
"428904"	862.931423	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+NH4"	18.033823
"792084"	1285.380223	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+NH4"	18.033823
"1690601"	440.482623	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+NH4"	18.033823
"341064"	431.9693495	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+H+NH4"	19.041099
"729116"	643.1937495	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+H+NH4"	19.041099
"1482937"	220.7449495	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H+NH4"	19.041099
"398336"	867.886818	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+Na"	22.989218
"760425"	1290.335618	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+Na"	22.989218
"1608523"	445.438018	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Na"	22.989218
"319653"	434.447047	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+H+Na"	23.996494
"713165"	645.671447	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+H+Na"	23.996494
"1464068"	223.222647	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H+Na"	23.996494
"1055493"	149.150856666667	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2H+Na"	25.00377
"1263007"	455.482286	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+CH3OH+H"	33.033486
"383773"	883.860758	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+K"	38.963158
"742581"	1306.309558	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+K"	38.963158
"1549750"	461.411958	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+K"	38.963158
"308748"	442.434017	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+H+K"	39.970434
"701894"	653.658417	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+H+K"	39.970434
"1457901"	231.209617	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H+K"	39.970434
"245410"	886.931426	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+ACN+H"	42.033826
"1220307"	464.482626	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+ACN+H"	42.033826
"1204189"	232.744951	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+ACN+2H"	43.041102
"201069"	889.86876	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+2Na-H"	44.97116
"635523"	1312.31756	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+2Na-H"	44.97116
"1140862"	467.41996	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2Na-H"	44.97116
"181965"	445.438018	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+2Na"	45.978436
"624072"	656.662418	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+2Na"	45.978436
"1121379"	234.213618	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2Na"	45.978436
"1404902"	156.478170666667	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H+2Na"	46.985712
"1434466"	469.461546	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H+HCOOH"	47.012746
"228533"	450.47104	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+3H2O+2H"	56.04448
"1517696"	483.51359	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+IsoProp+H"	61.06479
"417381"	453.424988	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+Na+K"	61.952376
"771811"	664.649388	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+Na+K"	61.952376
"1666931"	242.200588	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Na+K"	61.952376
"254670"	908.913368	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+ACN+Na"	64.015768
"1225916"	486.464568	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+ACN+Na"	64.015768
"1713346"	486.488093	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+NH4+HCOOH"	64.039293
"1180404"	163.805484666667	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+3Na"	68.967654
"1658076"	491.443488	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Na+HCOOH"	68.994688
"166033"	921.81664	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+2K-H"	76.91904
"609242"	1344.26544	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+2K-H"	76.91904
"1092300"	499.36784	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2K-H"	76.91904
"153121"	461.411958	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"2M+2K"	77.926316
"590864"	672.636358	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"3M+2K"	77.926316
"1079744"	250.187558	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2K"	77.926316
"1109680"	501.382392	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2K+H"	78.933592
"1346064"	501.470007	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+DMSO+H"	79.021207
"1014594"	505.509176	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2ACN+H"	83.060376
"1533811"	506.502808	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+IsoProp+Na+H"	84.054008
"1000257"	253.258226	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+2ACN+2H"	84.067652
"1600232"	507.417428	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+K+HCOOH"	84.968628
"1428075"	537.448938	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+H+CF3COOH"	115.000138
"1162671"	273.771501	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+3ACN+2H"	125.094202
"1702444"	554.475485	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+NH4+CF3COOH"	132.026685
"1634813"	559.43088	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+Na+CF3COOH"	136.98208
"1572653"	575.40482	"C08386"	"Nonacosan-10-one;Ginnone"	"C29H58O"	"422.4488"	"M+K+CF3COOH"	152.95602
"816141"	410.4488	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M"	0
"982019"	391.43041	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-H2O-H"	-19.01839
"68073"	272.625257333333	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M-3H"	-3.021828
"505444"	409.441524	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M-3H"	-3.021828
"881061"	135.808990666667	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-3H"	-3.021828
"2918"	409.441524	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M-2H"	-2.014552
"442477"	614.665924	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M-2H"	-2.014552
"819676"	204.217124	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-2H"	-2.014552
"84651"	819.890324	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M-H"	-1.007276
"519593"	1230.339124	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M-H"	-1.007276
"903110"	409.441524	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-H"	-1.007276
"55295"	836.916871	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M-2H+NH4"	16.019271
"494858"	1247.365671	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M-2H+NH4"	16.019271
"872663"	426.468071	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-2H+NH4"	16.019271
"37281"	841.872266	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M-2H+Na"	20.974666
"483042"	1252.321066	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M-2H+Na"	20.974666
"856837"	431.423466	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-2H+Na"	20.974666
"1625277"	431.423466	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Na-2H"	20.974666
"99620"	427.429863	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M-H+Cl"	33.962126
"540273"	632.654263	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M-H+Cl"	33.962126
"931235"	222.205463	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-H+Cl"	33.962126
"276722"	855.867002	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+Cl"	34.969402
"668050"	1266.315802	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+Cl"	34.969402
"1278630"	445.418202	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Cl"	34.969402
"21916"	857.846206	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M-2H+K"	36.948606
"458922"	1268.295006	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M-2H+K"	36.948606
"837820"	447.397406	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-2H+K"	36.948606
"1559118"	447.397406	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+K-2H"	36.948606
"947001"	455.446994	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-H+HCOOH"	44.998194
"365215"	865.895801	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+HCOOH-H"	44.998201
"348737"	879.911451	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+Hac-H"	59.013851
"1498301"	469.462651	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Hac-H"	59.013851
"960374"	477.428951	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-H+NaCOOH"	66.980151
"110039"	445.418202	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+2Cl"	69.938804
"550662"	650.642602	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+2Cl"	69.938804
"1021563"	240.193802	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2Cl"	69.938804
"1243050"	489.367685	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Br"	78.918885
"1308051"	491.423672	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Cl+HCOOH"	80.974872
"1324088"	513.405629	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Cl+NaCOOH"	102.956829
"914051"	523.434386	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M-H+CF3COOH"	112.985586
"1290879"	559.411064	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Cl+CF3COOH"	148.962264
"1370380"	375.436124	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H-2H2O"	-35.012676
"1391531"	393.4461	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H-H2O"	-17.0027
"292310"	821.904876	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+H"	1.007276
"683639"	1232.353676	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+H"	1.007276
"1361085"	411.456076	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H"	1.007276
"133974"	411.456076	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+2H"	2.014552
"571347"	616.680476	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+2H"	2.014552
"1045619"	206.231676	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2H"	2.014552
"208050"	274.639809333333	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+3H"	3.021828
"657458"	411.456076	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+3H"	3.021828
"1171208"	137.823542666667	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+3H"	3.021828
"432294"	838.931423	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+NH4"	18.033823
"791100"	1249.380223	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+NH4"	18.033823
"1690712"	428.482623	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+NH4"	18.033823
"341175"	419.9693495	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+H+NH4"	19.041099
"727404"	625.1937495	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+H+NH4"	19.041099
"1483048"	214.7449495	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H+NH4"	19.041099
"402821"	843.886818	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+Na"	22.989218
"762724"	1254.335618	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+Na"	22.989218
"1609726"	433.438018	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Na"	22.989218
"318669"	422.447047	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+H+Na"	23.996494
"712182"	627.671447	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+H+Na"	23.996494
"1467094"	217.222647	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H+Na"	23.996494
"1054874"	145.150856666667	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2H+Na"	25.00377
"1262023"	443.482286	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+CH3OH+H"	33.033486
"381695"	859.860758	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+K"	38.963158
"742692"	1270.309558	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+K"	38.963158
"1549129"	449.411958	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+K"	38.963158
"308489"	430.434017	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+H+K"	39.970434
"702004"	635.658417	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+H+K"	39.970434
"1453639"	225.209617	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H+K"	39.970434
"245522"	862.931426	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+ACN+H"	42.033826
"1221146"	452.482626	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+ACN+H"	42.033826
"1203203"	226.744951	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+ACN+2H"	43.041102
"194981"	865.86876	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+2Na-H"	44.97116
"635633"	1276.31756	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+2Na-H"	44.97116
"1144249"	455.41996	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2Na-H"	44.97116
"180246"	433.438018	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+2Na"	45.978436
"620900"	638.662418	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+2Na"	45.978436
"1119303"	228.213618	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2Na"	45.978436
"1402462"	152.478170666667	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H+2Na"	46.985712
"1432752"	457.461546	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H+HCOOH"	47.012746
"224270"	438.47104	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+3H2O+2H"	56.04448
"1519993"	471.51359	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+IsoProp+H"	61.06479
"417491"	441.424988	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+Na+K"	61.952376
"772650"	646.649388	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+Na+K"	61.952376
"1667164"	236.200588	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Na+K"	61.952376
"252593"	884.913368	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+ACN+Na"	64.015768
"1225781"	474.464568	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+ACN+Na"	64.015768
"1713092"	474.488093	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+NH4+HCOOH"	64.039293
"1186106"	159.805484666667	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+3Na"	68.967654
"1658186"	479.443488	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Na+HCOOH"	68.994688
"168330"	897.81664	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+2K-H"	76.91904
"605708"	1308.26544	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+2K-H"	76.91904
"1090220"	487.36784	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2K-H"	76.91904
"148129"	449.411958	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"2M+2K"	77.926316
"589880"	654.636358	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"3M+2K"	77.926316
"1076575"	244.187558	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2K"	77.926316
"1108696"	489.382392	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2K+H"	78.933592
"1345080"	489.470007	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+DMSO+H"	79.021207
"1013610"	493.509176	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2ACN+H"	83.060376
"1535015"	494.502808	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+IsoProp+Na+H"	84.054008
"1002920"	247.258226	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+2ACN+2H"	84.067652
"1599246"	495.417428	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+K+HCOOH"	84.968628
"1427091"	525.448938	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+H+CF3COOH"	115.000138
"1158470"	267.771501	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+3ACN+2H"	125.094202
"1700367"	542.475485	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+NH4+CF3COOH"	132.026685
"1634923"	547.43088	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+Na+CF3COOH"	136.98208
"1574950"	563.40482	"C08387"	"Octacosan-1-ol;1-Octacosanol;Octacosanol"	"C28H58O"	"410.4488"	"M+K+CF3COOH"	152.95602
"808596"	212.2504	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M"	0
"985409"	193.23201	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-H2O-H"	-19.01839
"74379"	140.492990666667	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M-3H"	-3.021828
"507743"	211.243124	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M-3H"	-3.021828
"882993"	69.7428573333333	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-3H"	-3.021828
"6308"	211.243124	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M-2H"	-2.014552
"445866"	317.368324	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M-2H"	-2.014552
"822581"	105.117924	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-2H"	-2.014552
"84761"	423.493524	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M-H"	-1.007276
"519702"	635.743924	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M-H"	-1.007276
"903220"	211.243124	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-H"	-1.007276
"53218"	440.520071	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M-2H+NH4"	16.019271
"497154"	652.770471	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M-2H+NH4"	16.019271
"872773"	228.269671	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-2H+NH4"	16.019271
"37391"	445.475466	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M-2H+Na"	20.974666
"481330"	657.725866	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M-2H+Na"	20.974666
"856947"	233.225066	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-2H+Na"	20.974666
"1623565"	233.225066	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Na-2H"	20.974666
"99366"	229.231463	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M-H+Cl"	33.962126
"541111"	335.356663	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M-H+Cl"	33.962126
"932438"	123.106263	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-H+Cl"	33.962126
"279021"	459.470202	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+Cl"	34.969402
"672534"	671.720602	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+Cl"	34.969402
"1283845"	247.219802	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Cl"	34.969402
"24213"	461.449406	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M-2H+K"	36.948606
"462680"	673.699806	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M-2H+K"	36.948606
"839389"	249.199006	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-2H+K"	36.948606
"1561414"	249.199006	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+K-2H"	36.948606
"948205"	257.248594	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-H+HCOOH"	44.998194
"368974"	469.499001	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+HCOOH-H"	44.998201
"353952"	483.514651	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+Hac-H"	59.013851
"1499507"	271.264251	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Hac-H"	59.013851
"960119"	279.230551	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-H+NaCOOH"	66.980151
"110238"	247.219802	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+2Cl"	69.938804
"550405"	353.345002	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+2Cl"	69.938804
"1021759"	141.094602	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2Cl"	69.938804
"1243161"	291.169285	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Br"	78.918885
"1307796"	293.225272	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Cl+HCOOH"	80.974872
"1324563"	315.207229	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Cl+NaCOOH"	102.956829
"916350"	325.235986	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M-H+CF3COOH"	112.985586
"1290504"	361.212664	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Cl+CF3COOH"	148.962264
"1369761"	177.237724	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H-2H2O"	-35.012676
"1391641"	195.2477	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H-H2O"	-17.0027
"292420"	425.508076	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+H"	1.007276
"681563"	637.758476	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+H"	1.007276
"1360101"	213.257676	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H"	1.007276
"134084"	213.257676	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+2H"	2.014552
"576925"	319.382876	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+2H"	2.014552
"1047916"	107.132476	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2H"	2.014552
"211440"	142.507542666667	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+3H"	3.021828
"659351"	213.257676	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+3H"	3.021828
"1175691"	71.7574093333333	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+3H"	3.021828
"435684"	442.534623	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+NH4"	18.033823
"792304"	654.785023	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+NH4"	18.033823
"1691915"	230.284223	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+NH4"	18.033823
"342378"	221.7709495	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+H+NH4"	19.041099
"728972"	327.8961495	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+H+NH4"	19.041099
"1485345"	115.6457495	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H+NH4"	19.041099
"401838"	447.490018	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+Na"	22.989218
"761740"	659.740418	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+Na"	22.989218
"1610930"	235.239618	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Na"	22.989218
"318780"	224.248647	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+H+Na"	23.996494
"712291"	330.373847	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+H+Na"	23.996494
"1467205"	118.123447	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H+Na"	23.996494
"1056442"	79.0847233333333	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2H+Na"	25.00377
"1259215"	245.283886	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+CH3OH+H"	33.033486
"379245"	463.463958	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+K"	38.963158
"742801"	675.714358	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+K"	38.963158
"1550700"	251.213558	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+K"	38.963158
"308600"	232.235617	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+H+K"	39.970434
"701022"	338.360817	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+H+K"	39.970434
"1455936"	126.110417	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H+K"	39.970434
"245632"	466.534626	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+ACN+H"	42.033826
"1220527"	254.284226	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+ACN+H"	42.033826
"1201127"	127.645751	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+ACN+2H"	43.041102
"193998"	469.47196	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+2Na-H"	44.97116
"633557"	681.72236	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+2Na-H"	44.97116
"1144722"	257.22156	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2Na-H"	44.97116
"183636"	235.239618	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+2Na"	45.978436
"619917"	341.364818	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+2Na"	45.978436
"1121236"	129.114418	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2Na"	45.978436
"1404759"	86.4120373333333	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H+2Na"	46.985712
"1439061"	259.263146	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H+HCOOH"	47.012746
"226568"	240.27264	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+3H2O+2H"	56.04448
"1521195"	273.31519	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+IsoProp+H"	61.06479
"419788"	243.226588	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+Na+K"	61.952376
"779689"	349.351788	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+Na+K"	61.952376
"1669461"	137.101388	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Na+K"	61.952376
"254889"	488.516568	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+ACN+Na"	64.015768
"1230145"	276.266168	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+ACN+Na"	64.015768
"1717574"	276.289693	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+NH4+HCOOH"	64.039293
"1185123"	93.7393513333333	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+3Na"	68.967654
"1658296"	281.245088	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Na+HCOOH"	68.994688
"161884"	501.41984	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+2K-H"	76.91904
"601445"	713.67024	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+2K-H"	76.91904
"1085105"	289.16944	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2K-H"	76.91904
"148238"	251.213558	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"2M+2K"	77.926316
"585616"	357.338758	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"3M+2K"	77.926316
"1075228"	145.088358	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2K"	77.926316
"1104432"	291.183992	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2K+H"	78.933592
"1340815"	291.271607	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+DMSO+H"	79.021207
"1013356"	295.310776	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2ACN+H"	83.060376
"1528564"	296.304408	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+IsoProp+Na+H"	84.054008
"1000114"	148.159026	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+2ACN+2H"	84.067652
"1594983"	297.219028	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+K+HCOOH"	84.968628
"1426108"	327.250538	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+H+CF3COOH"	115.000138
"1158580"	168.672301	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+3ACN+2H"	125.094202
"1699384"	344.277085	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+NH4+CF3COOH"	132.026685
"1634789"	349.23248	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+Na+CF3COOH"	136.98208
"1575060"	365.20642	"C08388"	"Pentadecane;n-Pentadecane"	"C15H32"	"212.2504"	"M+K+CF3COOH"	152.95602
"811989"	90.0139	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M"	0
"985520"	70.99551	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-H2O-H"	-19.01839
"63431"	59.0019906666667	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M-3H"	-3.021828
"508948"	89.006624	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M-3H"	-3.021828
"880188"	28.9973573333333	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-3H"	-3.021828
"3138"	89.006624	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M-2H"	-2.014552
"441604"	134.013574	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M-2H"	-2.014552
"828161"	43.999674	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-2H"	-2.014552
"81955"	179.020524	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M-H"	-1.007276
"519449"	269.034424	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M-H"	-1.007276
"906609"	89.006624	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-H"	-1.007276
"50048"	196.047071	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M-2H+NH4"	16.019271
"498357"	286.060971	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M-2H+NH4"	16.019271
"876165"	106.033171	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-2H+NH4"	16.019271
"40783"	201.002466	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M-2H+Na"	20.974666
"483630"	291.016366	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M-2H+Na"	20.974666
"860338"	110.988566	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-2H+Na"	20.974666
"1632420"	110.988566	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Na-2H"	20.974666
"105307"	106.994963	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M-H+Cl"	33.962126
"545961"	152.001913	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M-H+Cl"	33.962126
"937288"	61.988013	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-H+Cl"	33.962126
"279129"	214.997202	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+Cl"	34.969402
"672644"	305.011102	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+Cl"	34.969402
"1285048"	124.983302	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Cl"	34.969402
"24326"	216.976406	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M-2H+K"	36.948606
"464979"	306.990306	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M-2H+K"	36.948606
"840592"	126.962506	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-2H+K"	36.948606
"1562254"	126.962506	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+K-2H"	36.948606
"947586"	135.012094	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-H+HCOOH"	44.998194
"371270"	225.026001	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+HCOOH-H"	44.998201
"352970"	239.041651	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+Hac-H"	59.013851
"1498522"	149.027751	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Hac-H"	59.013851
"966063"	156.994051	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-H+NaCOOH"	66.980151
"110629"	124.983302	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+2Cl"	69.938804
"550147"	169.990252	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+2Cl"	69.938804
"1022597"	79.976352	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2Cl"	69.938804
"1241811"	168.932785	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Br"	78.918885
"1305353"	170.988772	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Cl+HCOOH"	80.974872
"1324673"	192.970729	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Cl+NaCOOH"	102.956829
"912085"	202.999486	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M-H+CF3COOH"	112.985586
"1291708"	238.976164	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Cl+CF3COOH"	148.962264
"1368411"	55.001224	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H-2H2O"	-35.012676
"1392844"	73.0112	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H-H2O"	-17.0027
"289250"	181.035076	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+H"	1.007276
"683859"	271.048976	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+H"	1.007276
"1360210"	91.021176	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H"	1.007276
"133100"	91.021176	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+2H"	2.014552
"572660"	136.028126	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+2H"	2.014552
"1048026"	46.014226	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2H"	2.014552
"213737"	61.0165426666667	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+3H"	3.021828
"658046"	91.021176	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+3H"	3.021828
"1175437"	31.0119093333333	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+3H"	3.021828
"435429"	198.061623	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+NH4"	18.033823
"795694"	288.075523	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+NH4"	18.033823
"1695672"	108.047723	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+NH4"	18.033823
"345043"	99.5344495	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+H+NH4"	19.041099
"732727"	144.5413995	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+H+NH4"	19.041099
"1483268"	54.5274995	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H+NH4"	19.041099
"404136"	203.017018	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+Na"	22.989218
"767317"	293.030918	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+Na"	22.989218
"1613227"	113.003118	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Na"	22.989218
"319984"	102.012147	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+H+Na"	23.996494
"715680"	147.019097	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+H+Na"	23.996494
"1466224"	57.005197	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H+Na"	23.996494
"1057282"	38.3392233333333	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2H+Na"	25.00377
"1259324"	123.047386	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+CH3OH+H"	33.033486
"381906"	218.990958	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+K"	38.963158
"740724"	309.004858	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+K"	38.963158
"1550810"	128.977058	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+K"	38.963158
"310897"	109.999117	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+H+K"	39.970434
"703319"	155.006067	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+H+K"	39.970434
"1454952"	64.992167	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H+K"	39.970434
"246835"	222.061626	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+ACN+H"	42.033826
"1220634"	132.047726	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+ACN+H"	42.033826
"1202330"	66.527501	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+ACN+2H"	43.041102
"191916"	224.99896	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+2Na-H"	44.97116
"630383"	315.01286	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+2Na-H"	44.97116
"1136807"	134.98506	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2Na-H"	44.97116
"182653"	113.003118	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+2Na"	45.978436
"619660"	158.010068	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+2Na"	45.978436
"1121346"	67.996168	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2Na"	45.978436
"1404137"	45.6665373333333	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H+2Na"	46.985712
"1436981"	137.026646	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H+HCOOH"	47.012746
"228863"	118.03614	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+3H2O+2H"	56.04448
"1518025"	151.07869	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+IsoProp+H"	61.06479
"419898"	120.990088	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+Na+K"	61.952376
"776518"	165.997038	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+Na+K"	61.952376
"1671759"	75.983138	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Na+K"	61.952376
"257186"	244.043568	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+ACN+Na"	64.015768
"1232078"	154.029668	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+ACN+Na"	64.015768
"1718777"	154.053193	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+NH4+HCOOH"	64.039293
"1181951"	52.9938513333333	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+3Na"	68.967654
"1658406"	159.008588	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Na+HCOOH"	68.994688
"161994"	256.94684	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+2K-H"	76.91904
"601555"	346.96074	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+2K-H"	76.91904
"1090441"	166.93294	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2K-H"	76.91904
"150172"	128.977058	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"2M+2K"	77.926316
"589006"	173.984008	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"3M+2K"	77.926316
"1076432"	83.970108	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2K"	77.926316
"1108915"	168.947492	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2K+H"	78.933592
"1342018"	169.035107	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+DMSO+H"	79.021207
"1013830"	173.074276	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2ACN+H"	83.060376
"1531953"	174.067908	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+IsoProp+Na+H"	84.054008
"1002046"	87.040776	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+2ACN+2H"	84.067652
"1596186"	174.982528	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+K+HCOOH"	84.968628
"1426218"	205.014038	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+H+CF3COOH"	115.000138
"1157598"	107.554051	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+3ACN+2H"	125.094202
"1701681"	222.040585	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+NH4+CF3COOH"	132.026685
"1638425"	226.99598	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+Na+CF3COOH"	136.98208
"1571889"	242.96992	"C08389"	"Propanethial S-oxide;Thiopropanal S-oxide"	"C3H6OS"	"90.0139"	"M+K+CF3COOH"	152.95602
"808816"	76.0347	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M"	0
"984537"	57.01631	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-H2O-H"	-19.01839
"62968"	49.682524	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M-3H"	-3.021828
"509061"	75.027424	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M-3H"	-3.021828
"883945"	24.337624	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-3H"	-3.021828
"2155"	75.027424	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M-2H"	-2.014552
"444999"	113.044774	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M-2H"	-2.014552
"831191"	37.010074	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-2H"	-2.014552
"91181"	151.062124	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M-H"	-1.007276
"530010"	227.096824	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M-H"	-1.007276
"906355"	75.027424	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-H"	-1.007276
"50158"	168.088671	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M-2H+NH4"	16.019271
"496280"	244.123371	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M-2H+NH4"	16.019271
"870803"	92.053971	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-2H+NH4"	16.019271
"32748"	173.044066	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M-2H+Na"	20.974666
"486701"	249.078766	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M-2H+Na"	20.974666
"861541"	97.009366	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-2H+Na"	20.974666
"1629977"	97.009366	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Na-2H"	20.974666
"105414"	93.015763	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M-H+Cl"	33.962126
"546068"	131.033113	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M-H+Cl"	33.962126
"939585"	54.998413	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-H+Cl"	33.962126
"279239"	187.038802	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+Cl"	34.969402
"673726"	263.073502	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+Cl"	34.969402
"1284065"	111.004102	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Cl"	34.969402
"26623"	189.018006	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M-2H+K"	36.948606
"459984"	265.052706	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M-2H+K"	36.948606
"841796"	112.983306	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-2H+K"	36.948606
"1560909"	112.983306	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+K-2H"	36.948606
"946605"	121.032894	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-H+HCOOH"	44.998194
"369193"	197.067601	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+HCOOH-H"	44.998201
"350893"	211.083251	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+Hac-H"	59.013851
"1493163"	135.048551	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Hac-H"	59.013851
"959241"	143.014851	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-H+NaCOOH"	66.980151
"110339"	111.004102	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+2Cl"	69.938804
"550130"	149.021452	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+2Cl"	69.938804
"1021855"	72.986752	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2Cl"	69.938804
"1241469"	154.953585	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Br"	78.918885
"1306558"	157.009572	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Cl+HCOOH"	80.974872
"1320113"	178.991529	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Cl+NaCOOH"	102.956829
"912681"	189.020286	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M-H+CF3COOH"	112.985586
"1294007"	224.996964	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Cl+CF3COOH"	148.962264
"1367793"	41.022024	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H-2H2O"	-35.012676
"1389674"	59.032	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H-H2O"	-17.0027
"289360"	153.076676	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+H"	1.007276
"680689"	229.111376	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+H"	1.007276
"1359227"	77.041976	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H"	1.007276
"132117"	77.041976	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+2H"	2.014552
"570584"	115.059326	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+2H"	2.014552
"1048136"	39.024626	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2H"	2.014552
"213847"	51.697076	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+3H"	3.021828
"656692"	77.041976	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+3H"	3.021828
"1173723"	26.352176	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+3H"	3.021828
"437361"	170.103223	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+NH4"	18.033823
"794711"	246.137923	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+NH4"	18.033823
"1693958"	94.068523	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+NH4"	18.033823
"344789"	85.5552495	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+H+NH4"	19.041099
"733928"	123.5725995	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+H+NH4"	19.041099
"1483377"	47.5378995	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H+NH4"	19.041099
"403152"	175.058618	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+Na"	22.989218
"765240"	251.093318	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+Na"	22.989218
"1614431"	99.023918	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Na"	22.989218
"319001"	88.032947	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+H+Na"	23.996494
"710325"	126.050297	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+H+Na"	23.996494
"1466332"	50.015597	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H+Na"	23.996494
"1056661"	33.67949	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2H+Na"	25.00377
"1258706"	109.068186	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+CH3OH+H"	33.033486
"378737"	191.032558	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+K"	38.963158
"741198"	267.067258	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+K"	38.963158
"1553833"	114.997858	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+K"	38.963158
"309914"	96.019917	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+H+K"	39.970434
"705616"	134.037267	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+H+K"	39.970434
"1457249"	58.002567	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H+K"	39.970434
"248039"	194.103226	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+ACN+H"	42.033826
"1220744"	118.068526	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+ACN+H"	42.033826
"1203533"	59.537901	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+ACN+2H"	43.041102
"192026"	197.04056	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+2Na-H"	44.97116
"630493"	273.07526	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+2Na-H"	44.97116
"1136917"	121.00586	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2Na-H"	44.97116
"181670"	99.023918	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+2Na"	45.978436
"620135"	137.041268	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+2Na"	45.978436
"1121090"	61.006568	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2Na"	45.978436
"1404611"	41.006804	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H+2Na"	46.985712
"1437091"	123.047446	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H+HCOOH"	47.012746
"227880"	104.05694	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+3H2O+2H"	56.04448
"1511573"	137.09949	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+IsoProp+H"	61.06479
"416728"	107.010888	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+Na+K"	61.952376
"773348"	145.028238	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+Na+K"	61.952376
"1671140"	68.993538	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Na+K"	61.952376
"256201"	216.085168	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+ACN+Na"	64.015768
"1228909"	140.050468	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+ACN+Na"	64.015768
"1715608"	140.073993	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+NH4+HCOOH"	64.039293
"1180966"	48.334118	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+3Na"	68.967654
"1658516"	145.029388	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Na+HCOOH"	68.994688
"165383"	228.98844	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+2K-H"	76.91904
"607131"	305.02314	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+2K-H"	76.91904
"1092737"	152.95374	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2K-H"	76.91904
"150646"	114.997858	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"2M+2K"	77.926316
"590937"	153.015208	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"3M+2K"	77.926316
"1075813"	76.980508	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2K"	77.926316
"1110118"	154.968292	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2K+H"	78.933592
"1338848"	155.055907	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+DMSO+H"	79.021207
"1015032"	159.095076	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2ACN+H"	83.060376
"1533156"	160.088708	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+IsoProp+Na+H"	84.054008
"998509"	80.051176	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+2ACN+2H"	84.067652
"1597389"	161.003328	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+K+HCOOH"	84.968628
"1427787"	191.034838	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+H+CF3COOH"	115.000138
"1158800"	100.564451	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+3ACN+2H"	125.094202
"1702884"	208.061385	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+NH4+CF3COOH"	132.026685
"1638535"	213.01678	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+Na+CF3COOH"	136.98208
"1571630"	228.99072	"C08390"	"Propane-1-thiol;Propanethiol;Propyl mercaptan"	"C3H8S"	"76.0347"	"M+K+CF3COOH"	152.95602
"808926"	76.0347	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M"	0
"984647"	57.01631	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-H2O-H"	-19.01839
"63206"	49.682524	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M-3H"	-3.021828
"509171"	75.027424	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M-3H"	-3.021828
"882598"	24.337624	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-3H"	-3.021828
"238"	75.027424	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M-2H"	-2.014552
"446202"	113.044774	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M-2H"	-2.014552
"828384"	37.010074	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-2H"	-2.014552
"89468"	151.062124	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M-H"	-1.007276
"526840"	227.096824	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M-H"	-1.007276
"906465"	75.027424	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-H"	-1.007276
"50268"	168.088671	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M-2H+NH4"	16.019271
"493110"	244.123371	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M-2H+NH4"	16.019271
"870913"	92.053971	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-2H+NH4"	16.019271
"32616"	173.044066	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M-2H+Na"	20.974666
"486957"	249.078766	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M-2H+Na"	20.974666
"861651"	97.009366	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-2H+Na"	20.974666
"1626807"	97.009366	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Na-2H"	20.974666
"101149"	93.015763	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M-H+Cl"	33.962126
"543990"	131.033113	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M-H+Cl"	33.962126
"938601"	54.998413	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-H+Cl"	33.962126
"277164"	187.038802	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+Cl"	34.969402
"673594"	263.073502	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+Cl"	34.969402
"1287698"	111.004102	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Cl"	34.969402
"27826"	189.018006	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M-2H+K"	36.948606
"465198"	265.052706	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M-2H+K"	36.948606
"844093"	112.983306	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-2H+K"	36.948606
"1564299"	112.983306	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+K-2H"	36.948606
"946715"	121.032894	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-H+HCOOH"	44.998194
"369303"	197.067601	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+HCOOH-H"	44.998201
"354283"	211.083251	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+Hac-H"	59.013851
"1494368"	135.048551	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Hac-H"	59.013851
"960816"	143.014851	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-H+NaCOOH"	66.980151
"111179"	111.004102	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+2Cl"	69.938804
"550079"	149.021452	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+2Cl"	69.938804
"1021844"	72.986752	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2Cl"	69.938804
"1241463"	154.953585	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Br"	78.918885
"1305087"	157.009572	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Cl+HCOOH"	80.974872
"1321977"	178.991529	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Cl+NaCOOH"	102.956829
"913401"	189.020286	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M-H+CF3COOH"	112.985586
"1296305"	224.996964	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Cl+CF3COOH"	148.962264
"1370455"	41.022024	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H-2H2O"	-35.012676
"1388691"	59.032	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H-H2O"	-17.0027
"289470"	153.076676	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+H"	1.007276
"680799"	229.111376	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+H"	1.007276
"1356056"	77.041976	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H"	1.007276
"131133"	77.041976	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+2H"	2.014552
"571787"	115.059326	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+2H"	2.014552
"1048244"	39.024626	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2H"	2.014552
"213957"	51.697076	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+3H"	3.021828
"656802"	77.041976	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+3H"	3.021828
"1173833"	26.352176	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+3H"	3.021828
"436012"	170.103223	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+NH4"	18.033823
"794821"	246.137923	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+NH4"	18.033823
"1694432"	94.068523	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+NH4"	18.033823
"344415"	85.5552495	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+H+NH4"	19.041099
"734403"	123.5725995	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+H+NH4"	19.041099
"1491141"	47.5378995	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H+NH4"	19.041099
"403991"	175.058618	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+Na"	22.989218
"765351"	251.093318	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+Na"	22.989218
"1612354"	99.023918	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Na"	22.989218
"316926"	88.032947	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+H+Na"	23.996494
"713714"	126.050297	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+H+Na"	23.996494
"1467535"	50.015597	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H+Na"	23.996494
"1057499"	33.67949	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2H+Na"	25.00377
"1261000"	109.068186	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+CH3OH+H"	33.033486
"383217"	191.032558	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+K"	38.963158
"740944"	267.067258	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+K"	38.963158
"1547375"	114.997858	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+K"	38.963158
"311117"	96.019917	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+H+K"	39.970434
"704633"	134.037267	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+H+K"	39.970434
"1457359"	58.002567	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H+K"	39.970434
"249242"	194.103226	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+ACN+H"	42.033826
"1223040"	118.068526	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+ACN+H"	42.033826
"1202549"	59.537901	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+ACN+2H"	43.041102
"191772"	197.04056	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+2Na-H"	44.97116
"629510"	273.07526	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+2Na-H"	44.97116
"1135934"	121.00586	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2Na-H"	44.97116
"180687"	99.023918	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+2Na"	45.978436
"620245"	137.041268	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+2Na"	45.978436
"1119743"	61.006568	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2Na"	45.978436
"1402900"	41.006804	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H+2Na"	46.985712
"1437201"	123.047446	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H+HCOOH"	47.012746
"229083"	104.05694	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+3H2O+2H"	56.04448
"1516056"	137.09949	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+IsoProp+H"	61.06479
"416838"	107.010888	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+Na+K"	61.952376
"777832"	145.028238	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+Na+K"	61.952376
"1674168"	68.993538	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Na+K"	61.952376
"257406"	216.085168	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+ACN+Na"	64.015768
"1229019"	140.050468	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+ACN+Na"	64.015768
"1716811"	140.073993	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+NH4+HCOOH"	64.039293
"1181076"	48.334118	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+3Na"	68.967654
"1657539"	145.029388	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Na+HCOOH"	68.994688
"164398"	228.98844	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+2K-H"	76.91904
"608334"	305.02314	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+2K-H"	76.91904
"1093941"	152.95374	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2K-H"	76.91904
"148569"	114.997858	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"2M+2K"	77.926316
"592140"	153.015208	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"3M+2K"	77.926316
"1075923"	76.980508	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2K"	77.926316
"1113144"	154.968292	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2K+H"	78.933592
"1343332"	155.055907	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+DMSO+H"	79.021207
"1015142"	159.095076	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2ACN+H"	83.060376
"1532173"	160.088708	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+IsoProp+Na+H"	84.054008
"998619"	80.051176	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+2ACN+2H"	84.067652
"1600779"	161.003328	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+K+HCOOH"	84.968628
"1427532"	191.034838	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+H+CF3COOH"	115.000138
"1156724"	100.564451	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+3ACN+2H"	125.094202
"1702994"	208.061385	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+NH4+CF3COOH"	132.026685
"1638645"	213.01678	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+Na+CF3COOH"	136.98208
"1571739"	228.99072	"C08391"	"Propane-2-thiol;Isopropyl mercaptan;2-Propanethiol"	"C3H8S"	"76.0347"	"M+K+CF3COOH"	152.95602
"809036"	438.4801	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M"	0
"984757"	419.46171	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-H2O-H"	-19.01839
"64249"	291.312790666667	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M-3H"	-3.021828
"509281"	437.472824	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M-3H"	-3.021828
"884894"	145.152757333333	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-3H"	-3.021828
"793"	437.472824	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M-2H"	-2.014552
"445219"	656.712874	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M-2H"	-2.014552
"825213"	218.232774	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-2H"	-2.014552
"87391"	875.952924	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M-H"	-1.007276
"526950"	1314.433024	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M-H"	-1.007276
"898555"	437.472824	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-H"	-1.007276
"47571"	892.979471	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M-2H+NH4"	16.019271
"487423"	1331.459571	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M-2H+NH4"	16.019271
"866646"	454.499371	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-2H+NH4"	16.019271
"35643"	897.934866	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M-2H+Na"	20.974666
"485663"	1336.414966	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M-2H+Na"	20.974666
"862855"	459.454766	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-2H+Na"	20.974666
"1626917"	459.454766	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Na-2H"	20.974666
"103448"	455.461163	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M-H+Cl"	33.962126
"547264"	674.701213	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M-H+Cl"	33.962126
"940536"	236.221113	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-H+Cl"	33.962126
"277268"	911.929602	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+Cl"	34.969402
"673462"	1350.409702	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+Cl"	34.969402
"1285376"	473.449502	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Cl"	34.969402
"24654"	913.908806	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M-2H+K"	36.948606
"467493"	1352.388906	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M-2H+K"	36.948606
"842016"	475.428706	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-2H+K"	36.948606
"1562223"	475.428706	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+K-2H"	36.948606
"950105"	483.478294	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-H+HCOOH"	44.998194
"366133"	921.958401	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+HCOOH-H"	44.998201
"352207"	935.974051	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+Hac-H"	59.013851
"1492883"	497.493951	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Hac-H"	59.013851
"959463"	505.460251	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-H+NaCOOH"	66.980151
"110924"	473.449502	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+2Cl"	69.938804
"550359"	692.689552	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+2Cl"	69.938804
"1023290"	254.209452	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2Cl"	69.938804
"1242139"	517.398985	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Br"	78.918885
"1306774"	519.454972	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Cl+HCOOH"	80.974872
"1323545"	541.436929	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Cl+NaCOOH"	102.956829
"914967"	551.465686	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M-H+CF3COOH"	112.985586
"1291676"	587.442364	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Cl+CF3COOH"	148.962264
"1368251"	403.467424	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H-2H2O"	-35.012676
"1385520"	421.4774	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H-H2O"	-17.0027
"287392"	877.967476	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+H"	1.007276
"682006"	1316.447576	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+H"	1.007276
"1357260"	439.487376	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H"	1.007276
"131243"	439.487376	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+2H"	2.014552
"569710"	658.727426	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+2H"	2.014552
"1048354"	220.247326	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2H"	2.014552
"214067"	293.327342666667	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+3H"	3.021828
"656912"	439.487376	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+3H"	3.021828
"1172850"	147.167309333333	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+3H"	3.021828
"435758"	894.994023	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+NH4"	18.033823
"794931"	1333.474123	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+NH4"	18.033823
"1695516"	456.513923	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+NH4"	18.033823
"342092"	448.0006495	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+H+NH4"	19.041099
"733055"	667.2406995	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+H+NH4"	19.041099
"1489064"	228.7605995	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H+NH4"	19.041099
"401185"	899.949418	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+Na"	22.989218
"761088"	1338.429518	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+Na"	22.989218
"1612464"	461.469318	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Na"	22.989218
"317036"	450.478347	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+H+Na"	23.996494
"711641"	669.718397	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+H+Na"	23.996494
"1467647"	231.238297	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H+Na"	23.996494
"1056883"	154.494623333333	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2H+Na"	25.00377
"1261475"	471.513586	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+CH3OH+H"	33.033486
"383327"	915.923358	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+K"	38.963158
"740325"	1354.403458	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+K"	38.963158
"1545299"	477.443258	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+K"	38.963158
"310134"	458.465317	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+H+K"	39.970434
"703650"	677.705367	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+H+K"	39.970434
"1457469"	239.225267	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H+K"	39.970434
"248259"	918.994026	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+ACN+H"	42.033826
"1219871"	480.513926	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+ACN+H"	42.033826
"1201566"	240.760601	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+ACN+2H"	43.041102
"191153"	921.93136	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+2Na-H"	44.97116
"629620"	1360.41146	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+2Na-H"	44.97116
"1134950"	483.45126	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2Na-H"	44.97116
"180797"	461.469318	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+2Na"	45.978436
"620355"	680.709368	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+2Na"	45.978436
"1120217"	242.229268	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2Na"	45.978436
"1403738"	161.821937333333	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H+2Na"	46.985712
"1436218"	485.492846	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H+HCOOH"	47.012746
"225913"	466.50234	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+3H2O+2H"	56.04448
"1515073"	499.54489	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+IsoProp+H"	61.06479
"413667"	469.456288	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+Na+K"	61.952376
"779035"	688.696338	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+Na+K"	61.952376
"1670632"	250.216238	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Na+K"	61.952376
"258974"	940.975968	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+ACN+Na"	64.015768
"1229494"	502.495868	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+ACN+Na"	64.015768
"1714006"	502.519393	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+NH4+HCOOH"	64.039293
"1180093"	169.149251333333	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+3Na"	68.967654
"1656556"	507.474788	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Na+HCOOH"	68.994688
"164144"	953.87924	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+2K-H"	76.91904
"606257"	1392.35934	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+2K-H"	76.91904
"1094051"	515.39914	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2K-H"	76.91904
"148679"	477.443258	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"2M+2K"	77.926316
"589336"	696.683308	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"3M+2K"	77.926316
"1076033"	258.203208	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2K"	77.926316
"1111431"	517.413692	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2K+H"	78.933592
"1344535"	517.501307	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+DMSO+H"	79.021207
"1016346"	521.540476	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2ACN+H"	83.060376
"1535563"	522.534108	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+IsoProp+Na+H"	84.054008
"998729"	261.273876	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+2ACN+2H"	84.067652
"1597607"	523.448728	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+K+HCOOH"	84.968628
"1426548"	553.480238	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+H+CF3COOH"	115.000138
"1159021"	281.787151	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+3ACN+2H"	125.094202
"1699824"	570.506785	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+NH4+CF3COOH"	132.026685
"1637660"	575.46218	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+Na+CF3COOH"	136.98208
"1572219"	591.43612	"C08392"	"Triacontan-1-ol;1-Triacontanol;Myricyl alcohol"	"C30H62O"	"438.4801"	"M+K+CF3COOH"	152.95602
"809146"	464.5321	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M"	0
"975025"	445.51371	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-H2O-H"	-19.01839
"62992"	308.680790666667	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M-3H"	-3.021828
"502917"	463.524824	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M-3H"	-3.021828
"881723"	153.836757333333	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-3H"	-3.021828
"537"	463.524824	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M-2H"	-2.014552
"441075"	695.790874	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M-2H"	-2.014552
"820947"	231.258774	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-2H"	-2.014552
"80938"	928.056924	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M-H"	-1.007276
"518824"	1392.589024	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M-H"	-1.007276
"895787"	463.524824	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-H"	-1.007276
"47685"	945.083471	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M-2H+NH4"	16.019271
"487976"	1409.615571	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M-2H+NH4"	16.019271
"865045"	480.551371	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-2H+NH4"	16.019271
"32340"	950.038866	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M-2H+Na"	20.974666
"477505"	1414.570966	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M-2H+Na"	20.974666
"850932"	485.506766	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-2H+Na"	20.974666
"1619364"	485.506766	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Na-2H"	20.974666
"98089"	481.513163	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M-H+Cl"	33.962126
"538743"	713.779213	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M-H+Cl"	33.962126
"937726"	249.247113	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-H+Cl"	33.962126
"278471"	964.033602	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+Cl"	34.969402
"674789"	1428.565702	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+Cl"	34.969402
"1286579"	499.501502	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Cl"	34.969402
"26949"	966.012806	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M-2H+K"	36.948606
"467603"	1430.544906	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M-2H+K"	36.948606
"845406"	501.480706	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-2H+K"	36.948606
"1568165"	501.480706	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+K-2H"	36.948606
"952402"	509.530294	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-H+HCOOH"	44.998194
"367336"	974.062401	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+HCOOH-H"	44.998201
"356690"	988.078051	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+Hac-H"	59.013851
"1496775"	523.545951	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Hac-H"	59.013851
"963222"	531.512251	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-H+NaCOOH"	66.980151
"113581"	499.501502	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+2Cl"	69.938804
"550834"	731.767552	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+2Cl"	69.938804
"1024858"	267.235452	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2Cl"	69.938804
"1245529"	543.450985	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Br"	78.918885
"1307981"	545.506972	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Cl+HCOOH"	80.974872
"1321466"	567.488929	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Cl+NaCOOH"	102.956829
"916899"	577.517686	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M-H+CF3COOH"	112.985586
"1289597"	613.494364	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Cl+CF3COOH"	148.962264
"1368487"	429.519424	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H-2H2O"	-35.012676
"1385257"	447.5294	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H-H2O"	-17.0027
"284219"	930.071476	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+H"	1.007276
"681018"	1394.603576	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+H"	1.007276
"1352995"	465.539376	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H"	1.007276
"133540"	465.539376	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+2H"	2.014552
"570913"	697.805426	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+2H"	2.014552
"1052518"	233.273326	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2H"	2.014552
"219526"	310.695342666667	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+3H"	3.021828
"657873"	465.539376	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+3H"	3.021828
"1177090"	155.851309333333	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+3H"	3.021828
"435136"	947.098023	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+NH4"	18.033823
"800141"	1411.630123	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+NH4"	18.033823
"1691369"	482.565923	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+NH4"	18.033823
"343659"	474.0526495	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+H+NH4"	19.041099
"730976"	706.3186995	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+H+NH4"	19.041099
"1489172"	241.7865995	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H+NH4"	19.041099
"402385"	952.053418	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+Na"	22.989218
"762288"	1416.585518	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+Na"	22.989218
"1611477"	487.521318	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Na"	22.989218
"322607"	476.530347	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+H+Na"	23.996494
"715029"	708.796397	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+H+Na"	23.996494
"1472125"	244.264297	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H+Na"	23.996494
"1062090"	163.178623333333	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2H+Na"	25.00377
"1260488"	497.565586	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+CH3OH+H"	33.033486
"381252"	968.027358	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+K"	38.963158
"743713"	1432.559458	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+K"	38.963158
"1542491"	503.495258	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+K"	38.963158
"310244"	484.517317	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+H+K"	39.970434
"702667"	716.783367	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+H+K"	39.970434
"1456486"	252.251267	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H+K"	39.970434
"247273"	971.098026	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+ACN+H"	42.033826
"1219981"	506.565926	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+ACN+H"	42.033826
"1200582"	253.786601	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+ACN+2H"	43.041102
"193815"	974.03536	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+2Na-H"	44.97116
"632645"	1438.56746	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+2Na-H"	44.97116
"1136883"	509.50326	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2Na-H"	44.97116
"179814"	487.521318	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+2Na"	45.978436
"618641"	719.787368	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+2Na"	45.978436
"1123239"	255.255268	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2Na"	45.978436
"1402025"	170.505937333333	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H+2Na"	46.985712
"1435235"	511.544846	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H+HCOOH"	47.012746
"223106"	492.55434	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+3H2O+2H"	56.04448
"1511902"	525.59689	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+IsoProp+H"	61.06479
"411954"	495.508288	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+Na+K"	61.952376
"771491"	727.774338	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+Na+K"	61.952376
"1672564"	263.242238	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Na+K"	61.952376
"255802"	993.079968	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+ACN+Na"	64.015768
"1231426"	528.547868	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+ACN+Na"	64.015768
"1717031"	528.571393	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+NH4+HCOOH"	64.039293
"1180203"	177.833251333333	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+3Na"	68.967654
"1659944"	533.526788	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Na+HCOOH"	68.994688
"162431"	1005.98324	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+2K-H"	76.91904
"608189"	1470.51534	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+2K-H"	76.91904
"1096350"	541.45114	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2K-H"	76.91904
"149883"	503.495258	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"2M+2K"	77.926316
"595279"	735.761308	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"3M+2K"	77.926316
"1077236"	271.229208	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2K"	77.926316
"1114703"	543.465692	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2K+H"	78.933592
"1347926"	543.553307	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+DMSO+H"	79.021207
"1020345"	547.592476	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2ACN+H"	83.060376
"1537859"	548.586108	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+IsoProp+Na+H"	84.054008
"998839"	274.299876	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+2ACN+2H"	84.067652
"1598810"	549.500728	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+K+HCOOH"	84.968628
"1427751"	579.532238	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+H+CF3COOH"	115.000138
"1159131"	294.813151	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+3ACN+2H"	125.094202
"1699934"	596.558785	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+NH4+CF3COOH"	132.026685
"1637770"	601.51418	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+Na+CF3COOH"	136.98208
"1572329"	617.48812	"C08393"	"Tritriacontane"	"C33H68"	"464.5321"	"M+K+CF3COOH"	152.95602
"809256"	492.4906	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M"	0
"976228"	473.47221	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-H2O-H"	-19.01839
"64102"	327.319790666667	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M-3H"	-3.021828
"503302"	491.483324	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M-3H"	-3.021828
"884020"	163.156257333333	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-3H"	-3.021828
"1866"	491.483324	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M-2H"	-2.014552
"445436"	737.728624	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M-2H"	-2.014552
"817894"	245.238024	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-2H"	-2.014552
"79464"	983.973924	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M-H"	-1.007276
"519017"	1476.464524	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M-H"	-1.007276
"896699"	491.483324	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-H"	-1.007276
"48523"	1001.000471	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M-2H+NH4"	16.019271
"488814"	1493.491071	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M-2H+NH4"	16.019271
"865278"	508.509871	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-2H+NH4"	16.019271
"33783"	1005.955866	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M-2H+Na"	20.974666
"477615"	1498.446466	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M-2H+Na"	20.974666
"854323"	513.465266	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-2H+Na"	20.974666
"1619106"	513.465266	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Na-2H"	20.974666
"98199"	509.471663	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M-H+Cl"	33.962126
"535815"	755.716963	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M-H+Cl"	33.962126
"934556"	263.226363	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-H+Cl"	33.962126
"273113"	1019.950602	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+Cl"	34.969402
"675022"	1512.441202	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+Cl"	34.969402
"1286689"	527.460002	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Cl"	34.969402
"27059"	1021.929806	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M-2H+K"	36.948606
"470629"	1514.420406	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M-2H+K"	36.948606
"845516"	529.439206	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-2H+K"	36.948606
"1568639"	529.439206	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+K-2H"	36.948606
"953605"	537.488794	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-H+HCOOH"	44.998194
"373644"	1029.979401	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+HCOOH-H"	44.998201
"354615"	1043.995051	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+Hac-H"	59.013851
"1493727"	551.504451	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Hac-H"	59.013851
"959080"	559.470751	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-H+NaCOOH"	66.980151
"111382"	527.460002	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+2Cl"	69.938804
"551792"	773.705302	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+2Cl"	69.938804
"1024237"	281.214702	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2Cl"	69.938804
"1243818"	571.409485	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Br"	78.918885
"1307727"	573.465472	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Cl+HCOOH"	80.974872
"1320845"	595.447429	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Cl+NaCOOH"	102.956829
"917373"	605.476186	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M-H+CF3COOH"	112.985586
"1289461"	641.452864	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Cl+CF3COOH"	148.962264
"1369325"	457.477924	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H-2H2O"	-35.012676
"1383777"	475.4879	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H-H2O"	-17.0027
"284073"	985.988476	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+H"	1.007276
"677471"	1478.479076	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+H"	1.007276
"1353104"	493.497876	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H"	1.007276
"133650"	493.497876	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+2H"	2.014552
"571022"	739.743176	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+2H"	2.014552
"1049667"	247.252576	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2H"	2.014552
"216474"	329.334342666667	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+3H"	3.021828
"656037"	493.497876	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+3H"	3.021828
"1173068"	165.170809333333	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+3H"	3.021828
"433059"	1003.015023	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+NH4"	18.033823
"797335"	1495.505623	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+NH4"	18.033823
"1691479"	510.524423	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+NH4"	18.033823
"345554"	502.0111495	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+H+NH4"	19.041099
"728900"	748.2564495	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+H+NH4"	19.041099
"1488190"	255.7658495	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H+NH4"	19.041099
"397031"	1007.970418	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+Na"	22.989218
"760211"	1500.461018	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+Na"	22.989218
"1610495"	515.479818	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Na"	22.989218
"320531"	504.488847	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+H+Na"	23.996494
"714046"	750.734147	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+H+Na"	23.996494
"1466770"	258.243547	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H+Na"	23.996494
"1061109"	172.498123333333	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2H+Na"	25.00377
"1261691"	525.524086	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+CH3OH+H"	33.033486
"380270"	1023.944358	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+K"	38.963158
"738836"	1516.434958	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+K"	38.963158
"1542965"	531.453758	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+K"	38.963158
"310354"	512.475817	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+H+K"	39.970434
"704963"	758.721117	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+H+K"	39.970434
"1457689"	266.230517	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H+K"	39.970434
"246290"	1027.015026	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+ACN+H"	42.033826
"1218998"	534.524426	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+ACN+H"	42.033826
"1200691"	267.765851	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+ACN+2H"	43.041102
"191373"	1029.95236	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+2Na-H"	44.97116
"630204"	1522.44296	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+2Na-H"	44.97116
"1136265"	537.46176	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2Na-H"	44.97116
"179924"	515.479818	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+2Na"	45.978436
"617295"	761.725118	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+2Na"	45.978436
"1121892"	269.234518	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2Na"	45.978436
"1402862"	179.825437333333	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H+2Na"	46.985712
"1437531"	539.503346	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H+HCOOH"	47.012746
"223216"	520.51284	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+3H2O+2H"	56.04448
"1514198"	553.55539	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+IsoProp+H"	61.06479
"412793"	523.466788	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+Na+K"	61.952376
"772693"	769.712088	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+Na+K"	61.952376
"1673767"	277.221488	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Na+K"	61.952376
"257006"	1048.996968	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+ACN+Na"	64.015768
"1230443"	556.506368	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+ACN+Na"	64.015768
"1717142"	556.529893	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+NH4+HCOOH"	64.039293
"1180677"	187.152751333333	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+3Na"	68.967654
"1657868"	561.485288	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Na+HCOOH"	68.994688
"162541"	1061.90024	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+2K-H"	76.91904
"608299"	1554.39084	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+2K-H"	76.91904
"1096094"	569.40964	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2K-H"	76.91904
"149993"	531.453758	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"2M+2K"	77.926316
"595875"	777.699058	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"3M+2K"	77.926316
"1078439"	285.208458	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2K"	77.926316
"1113110"	571.424192	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2K+H"	78.933592
"1350348"	571.511807	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+DMSO+H"	79.021207
"1019482"	575.550976	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2ACN+H"	83.060376
"1536876"	576.544608	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+IsoProp+Na+H"	84.054008
"997856"	288.279126	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+2ACN+2H"	84.067652
"1597827"	577.459228	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+K+HCOOH"	84.968628
"1424580"	607.490738	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+H+CF3COOH"	115.000138
"1159970"	308.792401	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+3ACN+2H"	125.094202
"1700044"	624.517285	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+NH4+CF3COOH"	132.026685
"1637880"	629.47268	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+Na+CF3COOH"	136.98208
"1572439"	645.44662	"C08394"	"Tritriacontane-1618-dione;N-Tritriacontane-1618-dione"	"C33H64O2"	"492.4906"	"M+K+CF3COOH"	152.95602
"809366"	170.1096	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M"	0
"976339"	151.09121	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-H2O-H"	-19.01839
"65672"	112.399124	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M-3H"	-3.021828
"507421"	169.102324	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M-3H"	-3.021828
"885224"	55.695924	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-3H"	-3.021828
"4892"	169.102324	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M-2H"	-2.014552
"443361"	254.157124	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M-2H"	-2.014552
"817759"	84.047524	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-2H"	-2.014552
"78884"	339.211924	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M-H"	-1.007276
"519622"	509.321524	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M-H"	-1.007276
"896041"	169.102324	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-H"	-1.007276
"48393"	356.238471	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M-2H+NH4"	16.019271
"489171"	526.348071	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M-2H+NH4"	16.019271
"865145"	186.128871	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-2H+NH4"	16.019271
"33047"	361.193866	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M-2H+Na"	20.974666
"475538"	531.303466	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M-2H+Na"	20.974666
"854432"	191.084266	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-2H+Na"	20.974666
"1619220"	191.084266	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Na-2H"	20.974666
"98309"	187.090663	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M-H+Cl"	33.962126
"536047"	272.145463	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M-H+Cl"	33.962126
"935759"	102.035863	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-H+Cl"	33.962126
"276503"	375.188602	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+Cl"	34.969402
"675523"	545.298202	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+Cl"	34.969402
"1288433"	205.079002	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Cl"	34.969402
"29844"	377.167806	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M-2H+K"	36.948606
"468917"	547.277406	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M-2H+K"	36.948606
"843441"	207.058206	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-2H+K"	36.948606
"1569844"	207.058206	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+K-2H"	36.948606
"953715"	215.107794	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-H+HCOOH"	44.998194
"374847"	385.217401	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+HCOOH-H"	44.998201
"358005"	399.233051	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+Hac-H"	59.013851
"1495903"	229.123451	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Hac-H"	59.013851
"964538"	237.089751	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-H+NaCOOH"	66.980151
"111494"	205.079002	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+2Cl"	69.938804
"551053"	290.133802	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+2Cl"	69.938804
"1022525"	120.024202	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2Cl"	69.938804
"1243200"	249.028485	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Br"	78.918885
"1308203"	251.084472	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Cl+HCOOH"	80.974872
"1324605"	273.066429	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Cl+NaCOOH"	102.956829
"912746"	283.095186	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M-H+CF3COOH"	112.985586
"1289454"	319.071864	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Cl+CF3COOH"	148.962264
"1373813"	135.096924	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H-2H2O"	-35.012676
"1385110"	153.1069	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H-H2O"	-17.0027
"283701"	341.226476	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+H"	1.007276
"681233"	511.336076	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+H"	1.007276
"1356494"	171.116876	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H"	1.007276
"133760"	171.116876	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+2H"	2.014552
"572226"	256.171676	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+2H"	2.014552
"1052131"	86.062076	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2H"	2.014552
"218409"	114.413676	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+3H"	3.021828
"658334"	171.116876	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+3H"	3.021828
"1173178"	57.710476	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+3H"	3.021828
"435357"	358.253023	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+NH4"	18.033823
"798176"	528.362623	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+NH4"	18.033823
"1695967"	188.143423	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+NH4"	18.033823
"343152"	179.6301495	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+H+NH4"	19.041099
"736301"	264.6849495	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+H+NH4"	19.041099
"1489391"	94.5753495	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H+NH4"	19.041099
"401512"	363.208418	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+Na"	22.989218
"763600"	533.318018	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+Na"	22.989218
"1610607"	193.098818	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Na"	22.989218
"320641"	182.107847	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+H+Na"	23.996494
"714157"	267.162647	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+H+Na"	23.996494
"1471257"	97.053047	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H+Na"	23.996494
"1061223"	65.03779	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2H+Na"	25.00377
"1266176"	203.143086	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+CH3OH+H"	33.033486
"385846"	379.182358	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+K"	38.963158
"738740"	549.291958	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+K"	38.963158
"1542340"	209.072758	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+K"	38.963158
"300249"	190.094817	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+H+K"	39.970434
"706166"	275.149617	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+H+K"	39.970434
"1457798"	105.040017	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H+K"	39.970434
"245307"	382.253026	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+ACN+H"	42.033826
"1220201"	212.143426	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+ACN+H"	42.033826
"1202989"	106.575351	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+ACN+2H"	43.041102
"194766"	385.19036	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+2Na-H"	44.97116
"629706"	555.29996	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+2Na-H"	44.97116
"1140023"	215.08076	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2Na-H"	44.97116
"181127"	193.098818	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+2Na"	45.978436
"617405"	278.153618	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+2Na"	45.978436
"1117019"	108.044018	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2Na"	45.978436
"1404431"	72.365104	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H+2Na"	46.985712
"1435454"	217.122346	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H+HCOOH"	47.012746
"222962"	198.13184	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+3H2O+2H"	56.04448
"1512121"	231.17439	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+IsoProp+H"	61.06479
"409135"	201.085788	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+Na+K"	61.952376
"770371"	286.140588	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+Na+K"	61.952376
"1672785"	116.030988	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Na+K"	61.952376
"258941"	404.234968	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+ACN+Na"	64.015768
"1230553"	234.125368	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+ACN+Na"	64.015768
"1717252"	234.148893	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+NH4+HCOOH"	64.039293
"1180423"	79.692418	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+3Na"	68.967654
"1656883"	239.104288	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Na+HCOOH"	68.994688
"162650"	417.13824	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+2K-H"	76.91904
"609504"	587.24784	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+2K-H"	76.91904
"1097663"	247.02864	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2K-H"	76.91904
"151196"	209.072758	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"2M+2K"	77.926316
"594768"	294.127558	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"3M+2K"	77.926316
"1077455"	124.017958	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2K"	77.926316
"1114437"	249.043192	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2K+H"	78.933592
"1349851"	249.130807	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+DMSO+H"	79.021207
"1020812"	253.169976	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2ACN+H"	83.060376
"1536986"	254.163608	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+IsoProp+Na+H"	84.054008
"995779"	127.088626	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+2ACN+2H"	84.067652
"1595750"	255.078228	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+K+HCOOH"	84.968628
"1424690"	285.109738	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+H+CF3COOH"	115.000138
"1156069"	147.601901	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+3ACN+2H"	125.094202
"1700517"	302.136285	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+NH4+CF3COOH"	132.026685
"1635436"	307.09168	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+Na+CF3COOH"	136.98208
"1571576"	323.06562	"C08395"	"Aethusin;2810-Tridecatriene-46-diyne"	"C13H14"	"170.1096"	"M+K+CF3COOH"	152.95602
"809477"	271.1936	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M"	0
"978635"	252.17521	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-H2O-H"	-19.01839
"65784"	179.788457333333	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M-3H"	-3.021828
"506438"	270.186324	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M-3H"	-3.021828
"886427"	89.3905906666667	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-3H"	-3.021828
"11563"	270.186324	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M-2H"	-2.014552
"445658"	405.783124	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M-2H"	-2.014552
"817262"	134.589524	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-2H"	-2.014552
"78952"	541.379924	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M-H"	-1.007276
"518672"	812.573524	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M-H"	-1.007276
"895783"	270.186324	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-H"	-1.007276
"47489"	558.406471	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M-2H+NH4"	16.019271
"488548"	829.600071	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M-2H+NH4"	16.019271
"864488"	287.212871	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-2H+NH4"	16.019271
"31737"	563.361866	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M-2H+Na"	20.974666
"474555"	834.555466	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M-2H+Na"	20.974666
"852356"	292.168266	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-2H+Na"	20.974666
"1619458"	292.168266	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Na-2H"	20.974666
"94365"	288.174663	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M-H+Cl"	33.962126
"539074"	423.771463	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M-H+Cl"	33.962126
"942192"	152.577863	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-H+Cl"	33.962126
"280990"	577.356602	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+Cl"	34.969402
"669037"	848.550202	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+Cl"	34.969402
"1280351"	306.163002	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Cl"	34.969402
"27281"	579.335806	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M-2H+K"	36.948606
"466842"	850.529406	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M-2H+K"	36.948606
"842455"	308.142206	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-2H+K"	36.948606
"1569223"	308.142206	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+K-2H"	36.948606
"956012"	316.191794	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-H+HCOOH"	44.998194
"372041"	587.385401	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+HCOOH-H"	44.998201
"359208"	601.401051	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+Hac-H"	59.013851
"1499293"	330.207451	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Hac-H"	59.013851
"969021"	338.173751	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-H+NaCOOH"	66.980151
"110995"	306.163002	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+2Cl"	69.938804
"550677"	441.759802	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+2Cl"	69.938804
"1030658"	170.566202	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2Cl"	69.938804
"1244402"	350.112485	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Br"	78.918885
"1306850"	352.168472	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Cl+HCOOH"	80.974872
"1323256"	374.150429	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Cl+NaCOOH"	102.956829
"911762"	384.179186	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M-H+CF3COOH"	112.985586
"1289926"	420.155864	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Cl+CF3COOH"	148.962264
"1371007"	236.180924	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H-2H2O"	-35.012676
"1384124"	254.1909	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H-H2O"	-17.0027
"284049"	543.394476	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+H"	1.007276
"681342"	814.588076	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+H"	1.007276
"1356607"	272.200876	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H"	1.007276
"129130"	272.200876	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+2H"	2.014552
"570150"	407.797676	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+2H"	2.014552
"1046605"	136.604076	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2H"	2.014552
"214506"	181.803009333333	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+3H"	3.021828
"659865"	272.200876	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+3H"	3.021828
"1176568"	91.4051426666667	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+3H"	3.021828
"436561"	560.421023	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+NH4"	18.033823
"796465"	831.614623	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+NH4"	18.033823
"1691704"	289.227423	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+NH4"	18.033823
"338888"	280.7141495	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+H+NH4"	19.041099
"730214"	416.3109495	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+H+NH4"	19.041099
"1484034"	145.1173495	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H+NH4"	19.041099
"399434"	565.376418	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+Na"	22.989218
"759335"	836.570018	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+Na"	22.989218
"1607436"	294.182818	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Na"	22.989218
"320751"	283.191847	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+H+Na"	23.996494
"709895"	418.788647	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+H+Na"	23.996494
"1469180"	147.595047	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H+Na"	23.996494
"1060238"	98.7324566666667	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2H+Na"	25.00377
"1264101"	304.227086	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+CH3OH+H"	33.033486
"388143"	581.350358	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+K"	38.963158
"739419"	852.543958	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+K"	38.963158
"1541722"	310.156758	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+K"	38.963158
"299995"	291.178817	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+H+K"	39.970434
"695328"	426.775617	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+H+K"	39.970434
"1453534"	155.582017	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H+K"	39.970434
"245414"	584.421026	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+ACN+H"	42.033826
"1221040"	313.227426	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+ACN+H"	42.033826
"1202006"	157.117351	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+ACN+2H"	43.041102
"194876"	587.35836	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+2Na-H"	44.97116
"632247"	858.55196	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+2Na-H"	44.97116
"1138310"	316.16476	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2Na-H"	44.97116
"180508"	294.182818	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+2Na"	45.978436
"617515"	429.779618	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+2Na"	45.978436
"1119193"	158.586018	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2Na"	45.978436
"1404541"	106.059770666667	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H+2Na"	46.985712
"1438844"	318.206346	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H+HCOOH"	47.012746
"224165"	299.21584	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+3H2O+2H"	56.04448
"1511136"	332.25839	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+IsoProp+H"	61.06479
"413012"	302.169788	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+Na+K"	61.952376
"775101"	437.766588	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+Na+K"	61.952376
"1671802"	166.572988	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Na+K"	61.952376
"257592"	606.402968	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+ACN+Na"	64.015768
"1232851"	335.209368	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+ACN+Na"	64.015768
"1717363"	335.232893	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+NH4+HCOOH"	64.039293
"1182356"	113.387084666667	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+3Na"	68.967654
"1658088"	340.188288	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Na+HCOOH"	68.994688
"163854"	619.30624	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+2K-H"	76.91904
"608885"	890.49984	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+2K-H"	76.91904
"1099314"	348.11264	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2K-H"	76.91904
"149121"	310.156758	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"2M+2K"	77.926316
"595972"	445.753558	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"3M+2K"	77.926316
"1077565"	174.559958	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2K"	77.926316
"1114669"	350.127192	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2K+H"	78.933592
"1350698"	350.214807	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+DMSO+H"	79.021207
"1021127"	354.253976	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2ACN+H"	83.060376
"1534909"	355.247608	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+IsoProp+Na+H"	84.054008
"998076"	177.630626	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+2ACN+2H"	84.067652
"1595860"	356.162228	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+K+HCOOH"	84.968628
"1425893"	386.193738	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+H+CF3COOH"	115.000138
"1148161"	198.143901	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+3ACN+2H"	125.094202
"1703544"	403.220285	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+NH4+CF3COOH"	132.026685
"1635546"	408.17568	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+Na+CF3COOH"	136.98208
"1571564"	424.14962	"C08396"	"Anacyclin;(2E4E)-N-(2-Methylpropyl)-24-tetradecadiene-810-diynamide"	"C18H25NO"	"271.1936"	"M+K+CF3COOH"	152.95602
"809586"	216.0067	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M"	0
"976559"	196.98831	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-H2O-H"	-19.01839
"63341"	142.997190666667	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M-3H"	-3.021828
"504361"	214.999424	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M-3H"	-3.021828
"887631"	70.9949573333333	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-3H"	-3.021828
"8393"	214.999424	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M-2H"	-2.014552
"443579"	323.002774	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M-2H"	-2.014552
"817085"	106.996074	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-2H"	-2.014552
"78608"	431.006124	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M-H"	-1.007276
"518581"	647.012824	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M-H"	-1.007276
"895769"	214.999424	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-H"	-1.007276
"47221"	448.032671	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M-2H+NH4"	16.019271
"487362"	664.039371	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M-2H+NH4"	16.019271
"864513"	232.025971	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-2H+NH4"	16.019271
"32048"	452.988066	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M-2H+Na"	20.974666
"474665"	668.994766	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M-2H+Na"	20.974666
"852466"	236.981366	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-2H+Na"	20.974666
"1619122"	236.981366	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Na-2H"	20.974666
"94372"	232.987763	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M-H+Cl"	33.962126
"539184"	340.991113	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M-H+Cl"	33.962126
"940357"	124.984413	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-H+Cl"	33.962126
"280980"	466.982802	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+Cl"	34.969402
"666960"	682.989502	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+Cl"	34.969402
"1280461"	250.976102	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Cl"	34.969402
"27391"	468.962006	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M-2H+K"	36.948606
"467682"	684.968706	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M-2H+K"	36.948606
"841472"	252.955306	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-2H+K"	36.948606
"1567147"	252.955306	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+K-2H"	36.948606
"953936"	261.004894	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-H+HCOOH"	44.998194
"372151"	477.011601	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+HCOOH-H"	44.998201
"357132"	491.027251	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+Hac-H"	59.013851
"1499403"	275.020551	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Hac-H"	59.013851
"966944"	282.986851	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-H+NaCOOH"	66.980151
"110376"	250.976102	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+2Cl"	69.938804
"550423"	358.979452	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+2Cl"	69.938804
"1024935"	142.972752	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2Cl"	69.938804
"1243419"	294.925585	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Br"	78.918885
"1307690"	296.981572	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Cl+HCOOH"	80.974872
"1323001"	318.963529	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Cl+NaCOOH"	102.956829
"913699"	328.992286	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M-H+CF3COOH"	112.985586
"1290039"	364.968964	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Cl+CF3COOH"	148.962264
"1368929"	180.994024	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H-2H2O"	-35.012676
"1383870"	199.004	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H-H2O"	-17.0027
"283064"	433.020676	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+H"	1.007276
"681450"	649.027376	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+H"	1.007276
"1361091"	217.013976	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H"	1.007276
"128512"	217.013976	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+2H"	2.014552
"570259"	325.017326	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+2H"	2.014552
"1044528"	109.010626	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2H"	2.014552
"214616"	145.011742666667	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+3H"	3.021828
"655274"	217.013976	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+3H"	3.021828
"1173399"	73.0095093333333	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+3H"	3.021828
"434485"	450.047223	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+NH4"	18.033823
"797670"	666.053923	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+NH4"	18.033823
"1689627"	234.040523	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+NH4"	18.033823
"336812"	225.5272495	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+H+NH4"	19.041099
"730324"	333.5305995	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+H+NH4"	19.041099
"1484144"	117.5238995	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H+NH4"	19.041099
"396264"	455.002618	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+Na"	22.989218
"756166"	671.009318	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+Na"	22.989218
"1606453"	238.995918	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Na"	22.989218
"317583"	228.004947	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+H+Na"	23.996494
"714377"	336.008297	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+H+Na"	23.996494
"1467102"	120.001597	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H+Na"	23.996494
"1059255"	80.3368233333333	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2H+Na"	25.00377
"1258745"	249.040186	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+CH3OH+H"	33.033486
"382786"	470.976558	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+K"	38.963158
"739283"	686.983258	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+K"	38.963158
"1541103"	254.969858	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+K"	38.963158
"298736"	235.991917	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+H+K"	39.970434
"691672"	343.995267	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+H+K"	39.970434
"1454737"	127.988567	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H+K"	39.970434
"244431"	474.047226	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+ACN+H"	42.033826
"1220421"	258.040526	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+ACN+H"	42.033826
"1203209"	129.523901	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+ACN+2H"	43.041102
"191706"	476.98456	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+2Na-H"	44.97116
"629806"	692.99126	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+2Na-H"	44.97116
"1140971"	260.97786	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2Na-H"	44.97116
"181347"	238.995918	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+2Na"	45.978436
"617626"	346.999268	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+2Na"	45.978436
"1116756"	130.992568	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2Na"	45.978436
"1407932"	87.6641373333333	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H+2Na"	46.985712
"1432392"	263.019446	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H+HCOOH"	47.012746
"225370"	244.02894	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+3H2O+2H"	56.04448
"1510518"	277.07149	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+IsoProp+H"	61.06479
"414215"	246.982888	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+Na+K"	61.952376
"776304"	354.986238	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+Na+K"	61.952376
"1671548"	138.979538	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Na+K"	61.952376
"258067"	496.029168	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+ACN+Na"	64.015768
"1230773"	280.022468	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+ACN+Na"	64.015768
"1715285"	280.045993	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+NH4+HCOOH"	64.039293
"1182466"	94.9914513333333	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+3Na"	68.967654
"1659291"	285.001388	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Na+HCOOH"	68.994688
"165057"	508.93244	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+2K-H"	76.91904
"608995"	724.93914	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+2K-H"	76.91904
"1097883"	292.92574	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2K-H"	76.91904
"151416"	254.969858	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"2M+2K"	77.926316
"596203"	362.973208	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"3M+2K"	77.926316
"1077675"	146.966508	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2K"	77.926316
"1115267"	294.940292	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2K+H"	78.933592
"1351290"	295.027907	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+DMSO+H"	79.021207
"1021313"	299.067076	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2ACN+H"	83.060376
"1533926"	300.060708	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+IsoProp+Na+H"	84.054008
"996000"	150.037176	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+2ACN+2H"	84.067652
"1595970"	300.975328	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+K+HCOOH"	84.968628
"1426003"	331.006838	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+H+CF3COOH"	115.000138
"1153010"	170.550451	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+3ACN+2H"	125.094202
"1703654"	348.033385	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+NH4+CF3COOH"	132.026685
"1635656"	352.98878	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+Na+CF3COOH"	136.98208
"1572769"	368.96272	"C08397"	"5-(3-Buten-1-ynyl)-22-bithiophene;5-(3-Buten-1-ynyl)-22-bithienyl"	"C12H8S2"	"216.0067"	"M+K+CF3COOH"	152.95602
"809696"	168.0575	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M"	0
"977762"	149.03911	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-H2O-H"	-19.01839
"65637"	111.031057333333	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M-3H"	-3.021828
"504835"	167.050224	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M-3H"	-3.021828
"888834"	55.0118906666667	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-3H"	-3.021828
"8503"	167.050224	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M-2H"	-2.014552
"444782"	251.078974	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M-2H"	-2.014552
"817280"	83.021474	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-2H"	-2.014552
"79414"	335.107724	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M-H"	-1.007276
"519459"	503.165224	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M-H"	-1.007276
"896531"	167.050224	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-H"	-1.007276
"47667"	352.134271	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M-2H+NH4"	16.019271
"487837"	520.191771	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M-2H+NH4"	16.019271
"865226"	184.076771	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-2H+NH4"	16.019271
"33007"	357.089666	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M-2H+Na"	20.974666
"476961"	525.147166	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M-2H+Na"	20.974666
"853304"	189.032166	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-2H+Na"	20.974666
"1618731"	189.032166	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Na-2H"	20.974666
"94471"	185.038563	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M-H+Cl"	33.962126
"537834"	269.067313	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M-H+Cl"	33.962126
"938280"	101.009813	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-H+Cl"	33.962126
"276835"	371.084402	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+Cl"	34.969402
"665977"	539.141902	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+Cl"	34.969402
"1280570"	203.026902	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Cl"	34.969402
"27501"	373.063606	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M-2H+K"	36.948606
"467062"	541.121106	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M-2H+K"	36.948606
"838302"	205.006106	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-2H+K"	36.948606
"1567257"	205.006106	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+K-2H"	36.948606
"948579"	213.055694	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-H+HCOOH"	44.998194
"364607"	381.113201	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+HCOOH-H"	44.998201
"360522"	395.128851	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+Hac-H"	59.013851
"1504617"	227.071351	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Hac-H"	59.013851
"971429"	235.037651	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-H+NaCOOH"	66.980151
"111704"	203.026902	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+2Cl"	69.938804
"552237"	287.055652	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+2Cl"	69.938804
"1025774"	118.998152	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2Cl"	69.938804
"1246083"	246.976385	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Br"	78.918885
"1307436"	249.032372	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Cl+HCOOH"	80.974872
"1321652"	271.014329	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Cl+NaCOOH"	102.956829
"914170"	281.043086	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M-H+CF3COOH"	112.985586
"1290513"	317.019764	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Cl+CF3COOH"	148.962264
"1367940"	133.044824	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H-2H2O"	-35.012676
"1385440"	151.0548	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H-H2O"	-17.0027
"284028"	337.122276	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+H"	1.007276
"681194"	505.179776	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+H"	1.007276
"1352453"	169.064776	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H"	1.007276
"128256"	169.064776	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+2H"	2.014552
"568182"	253.093526	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+2H"	2.014552
"1044638"	85.036026	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2H"	2.014552
"210351"	113.045609333333	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+3H"	3.021828
"657936"	169.064776	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+3H"	3.021828
"1170231"	57.0264426666667	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+3H"	3.021828
"430223"	354.148823	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+NH4"	18.033823
"799846"	522.206323	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+NH4"	18.033823
"1690831"	186.091323	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+NH4"	18.033823
"336921"	177.5780495	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+H+NH4"	19.041099
"730436"	261.6067995	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+H+NH4"	19.041099
"1483165"	93.5492995	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H+NH4"	19.041099
"397471"	359.104218	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+Na"	22.989218
"758466"	527.161718	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+Na"	22.989218
"1603648"	191.046718	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Na"	22.989218
"322066"	180.055747	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+H+Na"	23.996494
"712300"	264.084497	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+H+Na"	23.996494
"1468306"	96.026997	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H+Na"	23.996494
"1062646"	64.3537566666667	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2H+Na"	25.00377
"1262135"	201.090986	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+CH3OH+H"	33.033486
"383991"	375.078158	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+K"	38.963158
"739273"	543.135658	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+K"	38.963158
"1540358"	207.020658	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+K"	38.963158
"298866"	188.042717	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+H+K"	39.970434
"691492"	272.071467	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+H+K"	39.970434
"1452657"	104.013967	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H+K"	39.970434
"242354"	378.148826	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+ACN+H"	42.033826
"1220531"	210.091326	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+ACN+H"	42.033826
"1202226"	105.549301	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+ACN+2H"	43.041102
"191816"	381.08616	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+2Na-H"	44.97116
"629912"	549.14366	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+2Na-H"	44.97116
"1141445"	213.02866	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2Na-H"	44.97116
"182550"	191.046718	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+2Na"	45.978436
"617736"	275.075468	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+2Na"	45.978436
"1117959"	107.017968	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2Na"	45.978436
"1409135"	71.6810706666667	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H+2Na"	46.985712
"1433596"	215.070246	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H+HCOOH"	47.012746
"227664"	196.07974	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+3H2O+2H"	56.04448
"1511357"	229.12229	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+IsoProp+H"	61.06479
"414325"	199.033688	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+Na+K"	61.952376
"778600"	283.062438	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+Na+K"	61.952376
"1667283"	115.004938	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Na+K"	61.952376
"253803"	400.130768	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+ACN+Na"	64.015768
"1228696"	232.073268	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+ACN+Na"	64.015768
"1713937"	232.096793	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+NH4+HCOOH"	64.039293
"1181483"	79.0083846666667	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+3Na"	68.967654
"1658673"	237.052188	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Na+HCOOH"	68.994688
"164803"	413.03404	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+2K-H"	76.91904
"608012"	581.09154	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+2K-H"	76.91904
"1097993"	244.97654	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2K-H"	76.91904
"148247"	207.020658	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"2M+2K"	77.926316
"595220"	291.049408	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"3M+2K"	77.926316
"1074506"	122.991908	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2K"	77.926316
"1115010"	246.991092	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2K+H"	78.933592
"1349936"	247.078707	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+DMSO+H"	79.021207
"1021250"	251.117876	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2ACN+H"	83.060376
"1534036"	252.111508	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+IsoProp+Na+H"	84.054008
"997203"	126.062576	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+2ACN+2H"	84.067652
"1596080"	253.026128	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+K+HCOOH"	84.968628
"1421740"	283.057638	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+H+CF3COOH"	115.000138
"1153120"	146.575851	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+3ACN+2H"	125.094202
"1703764"	300.084185	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+NH4+CF3COOH"	132.026685
"1635037"	305.03958	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+Na+CF3COOH"	136.98208
"1572879"	321.01352	"C08398"	"Capillin"	"C12H8O"	"168.0575"	"M+K+CF3COOH"	152.95602
"809806"	182.0732	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M"	0
"983340"	163.05481	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-H2O-H"	-19.01839
"75954"	120.374857333333	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M-3H"	-3.021828
"508955"	181.065924	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M-3H"	-3.021828
"891131"	59.6837906666667	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-3H"	-3.021828
"11893"	181.065924	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M-2H"	-2.014552
"448173"	272.102524	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M-2H"	-2.014552
"823789"	90.029324	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-2H"	-2.014552
"85967"	363.139124	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M-H"	-1.007276
"521155"	545.212324	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M-H"	-1.007276
"896402"	181.065924	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-H"	-1.007276
"51146"	380.165671	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M-2H+NH4"	16.019271
"489613"	562.238871	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M-2H+NH4"	16.019271
"864730"	198.092471	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-2H+NH4"	16.019271
"32025"	385.121066	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M-2H+Na"	20.974666
"475977"	567.194266	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M-2H+Na"	20.974666
"853049"	203.047866	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-2H+Na"	20.974666
"1622217"	203.047866	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Na-2H"	20.974666
"95216"	199.054263	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M-H+Cl"	33.962126
"537580"	290.090863	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M-H+Cl"	33.962126
"937296"	108.017663	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-H+Cl"	33.962126
"276944"	399.115802	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+Cl"	34.969402
"666087"	581.189002	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+Cl"	34.969402
"1279587"	217.042602	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Cl"	34.969402
"25424"	401.095006	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M-2H+K"	36.948606
"466079"	583.168206	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M-2H+K"	36.948606
"838412"	219.021806	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-2H+K"	36.948606
"1566274"	219.021806	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+K-2H"	36.948606
"948689"	227.071394	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-H+HCOOH"	44.998194
"364717"	409.144601	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+HCOOH-H"	44.998201
"359175"	423.160251	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+Hac-H"	59.013851
"1503998"	241.087051	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Hac-H"	59.013851
"970446"	249.053351	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-H+NaCOOH"	66.980151
"121539"	217.042602	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+2Cl"	69.938804
"552347"	308.079202	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+2Cl"	69.938804
"1023697"	126.006002	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2Cl"	69.938804
"1245829"	260.992085	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Br"	78.918885
"1305725"	263.048072	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Cl+HCOOH"	80.974872
"1321034"	285.030029	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Cl+NaCOOH"	102.956829
"912459"	295.058786	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M-H+CF3COOH"	112.985586
"1289287"	331.035464	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Cl+CF3COOH"	148.962264
"1367687"	147.060524	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H-2H2O"	-35.012676
"1384091"	165.0705	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H-H2O"	-17.0027
"283368"	365.153676	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+H"	1.007276
"679483"	547.226876	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+H"	1.007276
"1360218"	183.080476	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H"	1.007276
"129459"	183.080476	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+2H"	2.014552
"570478"	274.117076	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+2H"	2.014552
"1049123"	92.043876	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2H"	2.014552
"216659"	122.389409333333	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+3H"	3.021828
"656954"	183.080476	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+3H"	3.021828
"1169246"	61.6983426666667	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+3H"	3.021828
"432519"	382.180223	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+NH4"	18.033823
"794608"	564.253423	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+NH4"	18.033823
"1693128"	200.107023	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+NH4"	18.033823
"335939"	191.5937495	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+H+NH4"	19.041099
"732735"	282.6303495	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+H+NH4"	19.041099
"1480360"	100.5571495	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H+NH4"	19.041099
"397581"	387.135618	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+Na"	22.989218
"757483"	569.208818	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+Na"	22.989218
"1608861"	205.062418	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Na"	22.989218
"324363"	194.071447	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+H+Na"	23.996494
"716784"	285.108047	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+H+Na"	23.996494
"1470602"	103.034847	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H+Na"	23.996494
"1061662"	69.0256566666667	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2H+Na"	25.00377
"1263338"	215.106686	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+CH3OH+H"	33.033486
"381914"	403.109558	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+K"	38.963158
"739509"	585.182758	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+K"	38.963158
"1540713"	221.036358	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+K"	38.963158
"299226"	202.058417	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+H+K"	39.970434
"694200"	293.095017	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+H+K"	39.970434
"1452767"	111.021817	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H+K"	39.970434
"240275"	406.180226	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+ACN+H"	42.033826
"1219548"	224.107026	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+ACN+H"	42.033826
"1200150"	112.557151	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+ACN+2H"	43.041102
"191926"	409.11756	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+2Na-H"	44.97116
"631116"	591.19076	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+2Na-H"	44.97116
"1139372"	227.04436	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2Na-H"	44.97116
"182660"	205.062418	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+2Na"	45.978436
"620033"	296.099018	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+2Na"	45.978436
"1124631"	114.025818	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2Na"	45.978436
"1409245"	76.3529706666667	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H+2Na"	46.985712
"1432977"	229.085946	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H+HCOOH"	47.012746
"225588"	210.09544	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+3H2O+2H"	56.04448
"1514748"	243.13799	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+IsoProp+H"	61.06479
"413342"	213.049388	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+Na+K"	61.952376
"776522"	304.085988	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+Na+K"	61.952376
"1666662"	122.012788	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Na+K"	61.952376
"254641"	428.162168	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+ACN+Na"	64.015768
"1230994"	246.088968	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+ACN+Na"	64.015768
"1720973"	246.112493	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+NH4+HCOOH"	64.039293
"1181957"	83.6802846666667	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+3Na"	68.967654
"1657325"	251.067888	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Na+HCOOH"	68.994688
"164184"	441.06544	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+2K-H"	76.91904
"608122"	623.13864	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+2K-H"	76.91904
"1098348"	258.99224	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2K-H"	76.91904
"147264"	221.036358	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"2M+2K"	77.926316
"595209"	312.072958	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"3M+2K"	77.926316
"1077896"	129.999758	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2K"	77.926316
"1114756"	261.006792	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2K+H"	78.933592
"1350167"	261.094407	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+DMSO+H"	79.021207
"1020642"	265.133576	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2ACN+H"	83.060376
"1534146"	266.127208	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+IsoProp+Na+H"	84.054008
"996220"	133.070426	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+2ACN+2H"	84.067652
"1595097"	267.041828	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+K+HCOOH"	84.968628
"1424038"	297.073338	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+H+CF3COOH"	115.000138
"1156511"	153.583701	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+3ACN+2H"	125.094202
"1706061"	314.099885	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+NH4+CF3COOH"	132.026685
"1634783"	319.05528	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+Na+CF3COOH"	136.98208
"1572989"	335.02922	"C08399"	"Carlina oxide"	"C13H10O"	"182.0732"	"M+K+CF3COOH"	152.95602
"809916"	451.0641	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M"	0
"983450"	432.04571	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-H2O-H"	-19.01839
"72784"	299.702124	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M-3H"	-3.021828
"510159"	450.056824	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M-3H"	-3.021828
"891241"	149.347424	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-3H"	-3.021828
"12003"	450.056824	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M-2H"	-2.014552
"450470"	675.588874	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M-2H"	-2.014552
"822806"	224.524774	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-2H"	-2.014552
"89357"	901.120924	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M-H"	-1.007276
"525639"	1352.185024	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M-H"	-1.007276
"897003"	450.056824	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-H"	-1.007276
"50163"	918.147471	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M-2H+NH4"	16.019271
"489723"	1369.211571	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M-2H+NH4"	16.019271
"864283"	467.083371	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-2H+NH4"	16.019271
"31804"	923.102866	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M-2H+Na"	20.974666
"475722"	1374.166966	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M-2H+Na"	20.974666
"853889"	472.038766	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-2H+Na"	20.974666
"1624514"	472.038766	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Na-2H"	20.974666
"101047"	468.045163	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M-H+Cl"	33.962126
"538418"	693.577213	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M-H+Cl"	33.962126
"936313"	242.513113	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-H+Cl"	33.962126
"278149"	937.097602	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+Cl"	34.969402
"666197"	1388.161702	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+Cl"	34.969402
"1280791"	486.033502	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Cl"	34.969402
"23347"	939.076806	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M-2H+K"	36.948606
"464002"	1390.140906	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M-2H+K"	36.948606
"846177"	488.012706	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-2H+K"	36.948606
"1566384"	488.012706	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+K-2H"	36.948606
"948799"	496.062294	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-H+HCOOH"	44.998194
"362396"	947.126401	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+HCOOH-H"	44.998201
"360742"	961.142051	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+Hac-H"	59.013851
"1504838"	510.077951	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Hac-H"	59.013851
"970556"	518.044251	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-H+NaCOOH"	66.980151
"122742"	486.033502	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+2Cl"	69.938804
"562302"	711.565552	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+2Cl"	69.938804
"1023811"	260.501452	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2Cl"	69.938804
"1243754"	529.982985	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Br"	78.918885
"1304496"	532.038972	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Cl+HCOOH"	80.974872
"1321510"	554.020929	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Cl+NaCOOH"	102.956829
"911471"	564.049686	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M-H+CF3COOH"	112.985586
"1288498"	600.026364	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Cl+CF3COOH"	148.962264
"1367307"	416.051424	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H-2H2O"	-35.012676
"1383473"	434.0614	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H-H2O"	-17.0027
"283194"	903.135476	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+H"	1.007276
"677769"	1354.199576	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+H"	1.007276
"1363975"	452.071376	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H"	1.007276
"133218"	452.071376	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+2H"	2.014552
"573871"	677.603426	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+2H"	2.014552
"1051421"	226.539326	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2H"	2.014552
"218230"	301.716676	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+3H"	3.021828
"656335"	452.071376	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+3H"	3.021828
"1168264"	151.361976	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+3H"	3.021828
"432629"	920.162023	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+NH4"	18.033823
"794354"	1371.226123	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+NH4"	18.033823
"1693237"	469.097923	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+NH4"	18.033823
"343338"	460.5846495	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+H+NH4"	19.041099
"736124"	686.1166995	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+H+NH4"	19.041099
"1487759"	235.0525995	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H+NH4"	19.041099
"402064"	925.117418	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+Na"	22.989218
"763060"	1376.181518	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+Na"	22.989218
"1607878"	474.053318	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Na"	22.989218
"325567"	463.062347	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+H+Na"	23.996494
"720174"	688.594397	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+H+Na"	23.996494
"1471806"	237.530297	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H+Na"	23.996494
"1062865"	158.68929	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2H+Na"	25.00377
"1263449"	484.097586	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+CH3OH+H"	33.033486
"383117"	941.091358	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+K"	38.963158
"739165"	1392.155458	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+K"	38.963158
"1540579"	490.027258	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+K"	38.963158
"299702"	471.049317	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+H+K"	39.970434
"693220"	696.581367	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+H+K"	39.970434
"1456158"	245.517267	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H+K"	39.970434
"238562"	944.162026	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+ACN+H"	42.033826
"1222573"	493.097926	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+ACN+H"	42.033826
"1202446"	247.052601	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+ACN+2H"	43.041102
"193129"	947.09936	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+2Na-H"	44.97116
"631955"	1398.16346	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+2Na-H"	44.97116
"1142760"	496.03526	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2Na-H"	44.97116
"187142"	474.053318	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+2Na"	45.978436
"620141"	699.585368	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+2Na"	45.978436
"1122551"	248.521268	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2Na"	45.978436
"1404982"	166.016604	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H+2Na"	46.985712
"1432721"	498.076846	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H+HCOOH"	47.012746
"225330"	479.08634	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+3H2O+2H"	56.04448
"1515222"	512.12889	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+IsoProp+H"	61.06479
"414180"	482.040288	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+Na+K"	61.952376
"775539"	707.572338	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+Na+K"	61.952376
"1670785"	256.508238	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Na+K"	61.952376
"255117"	966.143968	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+ACN+Na"	64.015768
"1232197"	515.079868	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+ACN+Na"	64.015768
"1721083"	515.103393	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+NH4+HCOOH"	64.039293
"1182432"	173.343918	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+3Na"	68.967654
"1658164"	520.058788	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Na+HCOOH"	68.994688
"166116"	979.04724	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+2K-H"	76.91904
"605679"	1430.11134	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+2K-H"	76.91904
"1098337"	527.98314	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2K-H"	76.91904
"148102"	490.027258	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"2M+2K"	77.926316
"590214"	715.559308	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"3M+2K"	77.926316
"1079828"	264.495208	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2K"	77.926316
"1115110"	529.997692	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2K+H"	78.933592
"1349305"	530.085307	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+DMSO+H"	79.021207
"1020509"	534.124476	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2ACN+H"	83.060376
"1534256"	535.118108	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+IsoProp+Na+H"	84.054008
"999609"	267.565876	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+2ACN+2H"	84.067652
"1598486"	536.032728	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+K+HCOOH"	84.968628
"1425241"	566.064238	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+H+CF3COOH"	115.000138
"1156621"	288.079151	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+3ACN+2H"	125.094202
"1707264"	583.090785	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+NH4+CF3COOH"	132.026685
"1634893"	588.04618	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+Na+CF3COOH"	136.98208
"1573099"	604.02012	"C08400"	"Glucoalyssin;5-Methylsulfinylpentyl glucosinolate"	"C13H25NO10S3"	"451.0641"	"M+K+CF3COOH"	152.95602
"810026"	435.0691	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M"	0
"983560"	416.05071	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-H2O-H"	-19.01839
"72894"	289.038790666667	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M-3H"	-3.021828
"510269"	434.061824	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M-3H"	-3.021828
"892445"	144.015757333333	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-3H"	-3.021828
"13207"	434.061824	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M-2H"	-2.014552
"449488"	651.596374	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M-2H"	-2.014552
"828383"	216.527274	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-2H"	-2.014552
"91292"	869.130924	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M-H"	-1.007276
"529030"	1304.200024	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M-H"	-1.007276
"896624"	434.061824	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-H"	-1.007276
"47717"	886.157471	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M-2H+NH4"	16.019271
"489832"	1321.226571	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M-2H+NH4"	16.019271
"864274"	451.088371	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-2H+NH4"	16.019271
"31451"	891.112866	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M-2H+Na"	20.974666
"475102"	1326.181966	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M-2H+Na"	20.974666
"853999"	456.043766	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-2H+Na"	20.974666
"1623531"	456.043766	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Na-2H"	20.974666
"102250"	452.050163	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M-H+Cl"	33.962126
"538528"	669.584713	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M-H+Cl"	33.962126
"936423"	234.515613	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-H+Cl"	33.962126
"278259"	905.107602	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+Cl"	34.969402
"663027"	1340.176702	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+Cl"	34.969402
"1286368"	470.038502	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Cl"	34.969402
"26737"	907.086806	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M-2H+K"	36.948606
"467392"	1342.155906	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M-2H+K"	36.948606
"846287"	472.017706	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-2H+K"	36.948606
"1567587"	472.017706	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+K-2H"	36.948606
"948909"	480.067294	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-H+HCOOH"	44.998194
"363843"	915.136401	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+HCOOH-H"	44.998201
"361176"	929.152051	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+Hac-H"	59.013851
"1506407"	494.082951	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Hac-H"	59.013851
"971758"	502.049251	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-H+NaCOOH"	66.980151
"122853"	470.038502	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+2Cl"	69.938804
"562412"	687.573052	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+2Cl"	69.938804
"1023922"	252.503952	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2Cl"	69.938804
"1243864"	513.987985	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Br"	78.918885
"1304853"	516.043972	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Cl+HCOOH"	80.974872
"1321256"	538.025929	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Cl+NaCOOH"	102.956829
"912315"	548.054686	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M-H+CF3COOH"	112.985586
"1288729"	584.031364	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Cl+CF3COOH"	148.962264
"1367545"	400.056424	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H-2H2O"	-35.012676
"1385407"	418.0664	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H-H2O"	-17.0027
"283998"	871.145476	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+H"	1.007276
"677878"	1306.214576	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+H"	1.007276
"1365909"	436.076376	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H"	1.007276
"136608"	436.076376	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+2H"	2.014552
"573981"	653.610926	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+2H"	2.014552
"1050439"	218.541826	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2H"	2.014552
"218951"	291.053342666667	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+3H"	3.021828
"659568"	436.076376	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+3H"	3.021828
"1175298"	146.030309333333	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+3H"	3.021828
"437480"	888.172023	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+NH4"	18.033823
"799569"	1323.241123	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+NH4"	18.033823
"1694077"	453.102923	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+NH4"	18.033823
"343084"	444.5896495	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+H+NH4"	19.041099
"736599"	662.1241995	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+H+NH4"	19.041099
"1490055"	227.0550995	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H+NH4"	19.041099
"403268"	893.127418	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+Na"	22.989218
"767180"	1328.196518	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+Na"	22.989218
"1611268"	458.058318	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Na"	22.989218
"326771"	447.067347	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+H+Na"	23.996494
"719193"	664.601897	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+H+Na"	23.996494
"1474103"	229.532797	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H+Na"	23.996494
"1065161"	153.357623333333	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2H+Na"	25.00377
"1269027"	468.102586	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+CH3OH+H"	33.033486
"383228"	909.101358	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+K"	38.963158
"739974"	1344.170458	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+K"	38.963158
"1540570"	474.032258	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+K"	38.963158
"299324"	455.054317	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+H+K"	39.970434
"693330"	672.588867	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+H+K"	39.970434
"1456269"	237.519767	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H+K"	39.970434
"240494"	912.172026	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+ACN+H"	42.033826
"1223047"	477.102926	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+ACN+H"	42.033826
"1202556"	239.055101	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+ACN+2H"	43.041102
"194332"	915.10936	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+2Na-H"	44.97116
"631704"	1350.17846	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+2Na-H"	44.97116
"1145056"	480.04026	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2Na-H"	44.97116
"183972"	458.058318	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+2Na"	45.978436
"623531"	675.592868	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+2Na"	45.978436
"1122662"	240.523768	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2Na"	45.978436
"1405092"	160.684937333333	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H+2Na"	46.985712
"1432833"	482.081846	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H+HCOOH"	47.012746
"225805"	463.09134	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+3H2O+2H"	56.04448
"1514968"	496.13389	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+IsoProp+H"	61.06479
"413196"	466.045288	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+Na+K"	61.952376
"775649"	683.579838	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+Na+K"	61.952376
"1671988"	248.510738	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Na+K"	61.952376
"256320"	934.153968	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+ACN+Na"	64.015768
"1230120"	499.084868	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+ACN+Na"	64.015768
"1722287"	499.108393	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+NH4+HCOOH"	64.039293
"1182178"	168.012251333333	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+3Na"	68.967654
"1660824"	504.063788	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Na+HCOOH"	68.994688
"167683"	947.05724	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+2K-H"	76.91904
"608339"	1382.12634	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+2K-H"	76.91904
"1094673"	511.98814	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2K-H"	76.91904
"147479"	474.032258	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"2M+2K"	77.926316
"585216"	691.566808	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"3M+2K"	77.926316
"1080302"	256.497708	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2K"	77.926316
"1113151"	514.002692	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2K+H"	78.933592
"1349536"	514.090307	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+DMSO+H"	79.021207
"1020862"	518.129476	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2ACN+H"	83.060376
"1535459"	519.123108	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+IsoProp+Na+H"	84.054008
"999718"	259.568376	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+2ACN+2H"	84.067652
"1600782"	520.037728	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+K+HCOOH"	84.968628
"1423162"	550.069238	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+H+CF3COOH"	115.000138
"1155638"	280.081651	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+3ACN+2H"	125.094202
"1706281"	567.095785	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+NH4+CF3COOH"	132.026685
"1636827"	572.05118	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+Na+CF3COOH"	136.98208
"1571424"	588.02512	"C08401"	"Glucoberteroin;5-Methylthiopentyl glucosinolate"	"C13H25NO9S3"	"435.0691"	"M+K+CF3COOH"	152.95602
"810136"	258.162	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M"	0
"985857"	239.14361	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-H2O-H"	-19.01839
"69724"	171.100724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M-3H"	-3.021828
"513659"	257.154724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M-3H"	-3.021828
"891462"	85.046724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-3H"	-3.021828
"12225"	257.154724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M-2H"	-2.014552
"450692"	386.235724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M-2H"	-2.014552
"819747"	128.073724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-2H"	-2.014552
"80467"	515.316724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M-H"	-1.007276
"519661"	773.478724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M-H"	-1.007276
"897829"	257.154724	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-H"	-1.007276
"48923"	532.343271	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M-2H+NH4"	16.019271
"488850"	790.505271	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M-2H+NH4"	16.019271
"866651"	274.181271	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-2H+NH4"	16.019271
"31796"	537.298666	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M-2H+Na"	20.974666
"473511"	795.460666	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M-2H+Na"	20.974666
"854109"	279.136666	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-2H+Na"	20.974666
"1623641"	279.136666	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Na-2H"	20.974666
"99080"	275.143063	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M-H+Cl"	33.962126
"537546"	404.224063	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M-H+Cl"	33.962126
"935440"	146.062063	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-H+Cl"	33.962126
"276183"	551.293402	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+Cl"	34.969402
"661678"	809.455402	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+Cl"	34.969402
"1286478"	293.131402	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Cl"	34.969402
"21380"	553.272606	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M-2H+K"	36.948606
"465314"	811.434606	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M-2H+K"	36.948606
"838742"	295.110606	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-2H+K"	36.948606
"1566604"	295.110606	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+K-2H"	36.948606
"950113"	303.160194	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-H+HCOOH"	44.998194
"366141"	561.322201	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+HCOOH-H"	44.998201
"357681"	575.337851	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+Hac-H"	59.013851
"1503234"	317.175851	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Hac-H"	59.013851
"964215"	325.142151	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-H+NaCOOH"	66.980151
"121869"	293.131402	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+2Cl"	69.938804
"558149"	422.212402	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+2Cl"	69.938804
"1024032"	164.050402	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2Cl"	69.938804
"1242150"	337.080885	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Br"	78.918885
"1304184"	339.136872	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Cl+HCOOH"	80.974872
"1320313"	361.118829	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Cl+NaCOOH"	102.956829
"911519"	371.147586	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M-H+CF3COOH"	112.985586
"1288572"	407.124264	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Cl+CF3COOH"	148.962264
"1367057"	223.149324	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H-2H2O"	-35.012676
"1387704"	241.1593	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H-H2O"	-17.0027
"283379"	517.331276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+H"	1.007276
"676285"	775.493276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+H"	1.007276
"1365655"	259.169276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H"	1.007276
"136718"	259.169276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+2H"	2.014552
"574091"	388.250276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+2H"	2.014552
"1050549"	130.088276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2H"	2.014552
"218698"	173.115276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+3H"	3.021828
"659597"	259.169276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+3H"	3.021828
"1176139"	87.061276	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+3H"	3.021828
"437225"	534.357823	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+NH4"	18.033823
"799314"	792.519823	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+NH4"	18.033823
"1693091"	276.195823	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+NH4"	18.033823
"343922"	267.6825495	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+H+NH4"	19.041099
"736710"	396.7635495	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+H+NH4"	19.041099
"1489073"	138.6015495	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H+NH4"	19.041099
"405566"	539.313218	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+Na"	22.989218
"767655"	797.475218	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+Na"	22.989218
"1613567"	281.151218	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Na"	22.989218
"325062"	270.160247	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+H+Na"	23.996494
"716753"	399.241247	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+H+Na"	23.996494
"1473121"	141.079247	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H+Na"	23.996494
"1065273"	94.38859	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2H+Na"	25.00377
"1268044"	291.195486	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+CH3OH+H"	33.033486
"383338"	555.287158	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+K"	38.963158
"739233"	813.449158	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+K"	38.963158
"1540921"	297.125158	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+K"	38.963158
"298598"	278.147217	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+H+K"	39.970434
"692712"	407.228217	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+H+K"	39.970434
"1446529"	149.066217	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H+K"	39.970434
"240604"	558.357826	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+ACN+H"	42.033826
"1219877"	300.195826	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+ACN+H"	42.033826
"1203760"	150.601551	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+ACN+2H"	43.041102
"194443"	561.29516	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+2Na-H"	44.97116
"633273"	819.45716	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+2Na-H"	44.97116
"1142979"	303.13316	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2Na-H"	44.97116
"181895"	281.151218	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+2Na"	45.978436
"620361"	410.232218	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+2Na"	45.978436
"1121679"	152.070218	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2Na"	45.978436
"1407389"	101.715904	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H+2Na"	46.985712
"1434400"	305.174746	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H+HCOOH"	47.012746
"225915"	286.18424	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+3H2O+2H"	56.04448
"1515078"	319.22679	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+IsoProp+H"	61.06479
"412940"	289.138188	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+Na+K"	61.952376
"773207"	418.219188	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+Na+K"	61.952376
"1677562"	160.057188	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Na+K"	61.952376
"254605"	580.339768	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+ACN+Na"	64.015768
"1233511"	322.177768	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+ACN+Na"	64.015768
"1720210"	322.201293	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+NH4+HCOOH"	64.039293
"1181558"	109.043218	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+3Na"	68.967654
"1662027"	327.156688	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Na+HCOOH"	68.994688
"166700"	593.24304	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+2K-H"	76.91904
"604074"	851.40504	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+2K-H"	76.91904
"1094054"	335.08104	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2K-H"	76.91904
"147589"	297.125158	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"2M+2K"	77.926316
"581586"	426.206158	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"3M+2K"	77.926316
"1079318"	168.044158	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2K"	77.926316
"1110339"	337.095592	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2K+H"	78.933592
"1347821"	337.183207	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+DMSO+H"	79.021207
"1019635"	341.222376	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2ACN+H"	83.060376
"1537755"	342.216008	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+IsoProp+Na+H"	84.054008
"999828"	171.114826	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+2ACN+2H"	84.067652
"1600892"	343.130628	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+K+HCOOH"	84.968628
"1423272"	373.162138	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+H+CF3COOH"	115.000138
"1156840"	191.628101	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+3ACN+2H"	125.094202
"1709671"	390.188685	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+NH4+CF3COOH"	132.026685
"1635114"	395.14408	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+Na+CF3COOH"	136.98208
"1571981"	411.11802	"C08402"	"Cicutoxin"	"C17H22O2"	"258.162"	"M+K+CF3COOH"	152.95602
"810246"	387.0658	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M"	0
"985967"	368.04741	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-H2O-H"	-19.01839
"69834"	257.036590666667	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M-3H"	-3.021828
"513773"	386.058524	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M-3H"	-3.021828
"894854"	128.014657333333	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-3H"	-3.021828
"13428"	386.058524	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M-2H"	-2.014552
"450804"	579.591424	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M-2H"	-2.014552
"822045"	192.525624	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-2H"	-2.014552
"84222"	773.124324	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M-H"	-1.007276
"529250"	1160.190124	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M-H"	-1.007276
"896725"	386.058524	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-H"	-1.007276
"50494"	790.150871	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M-2H+NH4"	16.019271
"490055"	1177.216671	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M-2H+NH4"	16.019271
"864608"	403.085071	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-2H+NH4"	16.019271
"32475"	795.106266	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M-2H+Na"	20.974666
"480790"	1182.172066	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M-2H+Na"	20.974666
"859685"	408.040466	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-2H+Na"	20.974666
"1622657"	408.040466	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Na-2H"	20.974666
"108789"	404.046863	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M-H+Cl"	33.962126
"546408"	597.579763	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M-H+Cl"	33.962126
"937737"	210.513963	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-H+Cl"	33.962126
"280914"	809.101002	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+Cl"	34.969402
"668715"	1196.166802	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+Cl"	34.969402
"1286225"	422.035202	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Cl"	34.969402
"28052"	811.080206	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M-2H+K"	36.948606
"466521"	1198.146006	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M-2H+K"	36.948606
"845416"	424.014406	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-2H+K"	36.948606
"1567810"	424.014406	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+K-2H"	36.948606
"951316"	432.063994	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-H+HCOOH"	44.998194
"369532"	819.129801	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+HCOOH-H"	44.998201
"359983"	833.145451	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+Hac-H"	59.013851
"1507768"	446.079651	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Hac-H"	59.013851
"973446"	454.045951	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-H+NaCOOH"	66.980151
"124779"	422.035202	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+2Cl"	69.938804
"565272"	615.568102	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+2Cl"	69.938804
"1028152"	228.502302	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2Cl"	69.938804
"1248823"	465.984685	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Br"	78.918885
"1309084"	468.040672	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Cl+HCOOH"	80.974872
"1325487"	490.022629	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Cl+NaCOOH"	102.956829
"911928"	500.051386	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M-H+CF3COOH"	112.985586
"1288879"	536.028064	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Cl+CF3COOH"	148.962264
"1368498"	352.053124	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H-2H2O"	-35.012676
"1385628"	370.0631	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H-H2O"	-17.0027
"285314"	775.138876	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+H"	1.007276
"677006"	1162.204676	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+H"	1.007276
"1361751"	388.073076	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H"	1.007276
"140109"	388.073076	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+2H"	2.014552
"577481"	581.605976	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+2H"	2.014552
"1051150"	194.540176	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2H"	2.014552
"218565"	259.051142666667	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+3H"	3.021828
"657762"	388.073076	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+3H"	3.021828
"1175157"	130.029209333333	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+3H"	3.021828
"437944"	792.165423	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+NH4"	18.033823
"797968"	1179.231223	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+NH4"	18.033823
"1694662"	405.099623	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+NH4"	18.033823
"344035"	396.5863495	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+H+NH4"	19.041099
"736704"	590.1192495	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+H+NH4"	19.041099
"1489549"	203.0534495	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H+NH4"	19.041099
"407013"	797.120818	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+Na"	22.989218
"765947"	1184.186618	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+Na"	22.989218
"1615138"	410.055018	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Na"	22.989218
"325901"	399.064047	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+H+Na"	23.996494
"720027"	592.596947	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+H+Na"	23.996494
"1475910"	205.531147	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H+Na"	23.996494
"1066482"	137.356523333333	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2H+Na"	25.00377
"1265969"	420.099286	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+CH3OH+H"	33.033486
"386730"	813.094758	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+K"	38.963158
"739345"	1200.160558	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+K"	38.963158
"1541757"	426.028958	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+K"	38.963158
"301494"	407.051017	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+H+K"	39.970434
"699384"	600.583917	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+H+K"	39.970434
"1451016"	213.518117	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H+K"	39.970434
"238888"	816.165426	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+ACN+H"	42.033826
"1213418"	429.099626	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+ACN+H"	42.033826
"1198761"	215.053451	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+ACN+2H"	43.041102
"191273"	819.10276	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+2Na-H"	44.97116
"632288"	1206.16856	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+2Na-H"	44.97116
"1143090"	432.03696	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2Na-H"	44.97116
"182005"	410.055018	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+2Na"	45.978436
"616825"	603.587918	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+2Na"	45.978436
"1120695"	216.522118	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2Na"	45.978436
"1404218"	144.683837333333	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H+2Na"	46.985712
"1434145"	434.078546	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H+HCOOH"	47.012746
"223111"	415.08804	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+3H2O+2H"	56.04448
"1520656"	448.13059	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+IsoProp+H"	61.06479
"418156"	418.041988	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+Na+K"	61.952376
"775141"	611.574888	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+Na+K"	61.952376
"1677672"	224.509088	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Na+K"	61.952376
"258727"	838.147368	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+ACN+Na"	64.015768
"1232528"	451.081568	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+ACN+Na"	64.015768
"1719227"	451.105093	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+NH4+HCOOH"	64.039293
"1191149"	152.011151333333	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+3Na"	68.967654
"1662137"	456.060488	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Na+HCOOH"	68.994688
"170458"	851.05064	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+2K-H"	76.91904
"611111"	1238.11644	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+2K-H"	76.91904
"1098174"	463.98484	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2K-H"	76.91904
"150980"	426.028958	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"2M+2K"	77.926316
"589446"	619.561858	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"3M+2K"	77.926316
"1081615"	232.496058	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2K"	77.926316
"1114217"	465.999392	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2K+H"	78.933592
"1349025"	466.087007	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+DMSO+H"	79.021207
"1020715"	470.126176	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2ACN+H"	83.060376
"1538595"	471.119808	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+IsoProp+Na+H"	84.054008
"1001032"	235.566726	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+2ACN+2H"	84.067652
"1599909"	472.034428	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+K+HCOOH"	84.968628
"1428849"	502.065938	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+H+CF3COOH"	115.000138
"1160230"	256.080001	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+3ACN+2H"	125.094202
"1710874"	519.092485	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+NH4+CF3COOH"	132.026685
"1637047"	524.04788	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+Na+CF3COOH"	136.98208
"1573063"	540.02182	"C08403"	"Glucobrassicanapin;4-Pentenyl glucosinolate"	"C12H21NO9S2"	"387.0658"	"M+K+CF3COOH"	152.95602
"814732"	333.0188	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M"	0
"983890"	314.00041	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-H2O-H"	-19.01839
"69944"	221.005257333333	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M-3H"	-3.021828
"506226"	332.011524	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M-3H"	-3.021828
"886215"	109.998990666667	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-3H"	-3.021828
"5885"	332.011524	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M-2H"	-2.014552
"445444"	498.520924	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M-2H"	-2.014552
"817532"	165.502124	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-2H"	-2.014552
"78698"	665.030324	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M-H"	-1.007276
"523893"	998.049124	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M-H"	-1.007276
"899508"	332.011524	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-H"	-1.007276
"47313"	682.056871	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M-2H+NH4"	16.019271
"489190"	1015.075671	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M-2H+NH4"	16.019271
"864794"	349.038071	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-2H+NH4"	16.019271
"31884"	687.012266	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M-2H+Na"	20.974666
"480900"	1020.031066	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M-2H+Na"	20.974666
"860889"	353.993466	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-2H+Na"	20.974666
"1621674"	353.993466	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Na-2H"	20.974666
"108778"	349.999863	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M-H+Cl"	33.962126
"545425"	516.509263	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M-H+Cl"	33.962126
"938940"	183.490463	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-H+Cl"	33.962126
"280420"	701.007002	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+Cl"	34.969402
"668825"	1034.025802	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+Cl"	34.969402
"1284512"	367.988202	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Cl"	34.969402
"27798"	702.986206	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M-2H+K"	36.948606
"469548"	1036.005006	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M-2H+K"	36.948606
"844432"	369.967406	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-2H+K"	36.948606
"1570716"	369.967406	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+K-2H"	36.948606
"953615"	378.016994	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-H+HCOOH"	44.998194
"372560"	711.035801	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+HCOOH-H"	44.998201
"360818"	725.051451	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+Hac-H"	59.013851
"1507834"	392.032651	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Hac-H"	59.013851
"972822"	399.998951	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-H+NaCOOH"	66.980151
"124277"	367.988202	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+2Cl"	69.938804
"558370"	534.497602	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+2Cl"	69.938804
"1035552"	201.478802	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2Cl"	69.938804
"1250027"	411.937685	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Br"	78.918885
"1309195"	413.993672	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Cl+HCOOH"	80.974872
"1319902"	435.975629	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Cl+NaCOOH"	102.956829
"912283"	446.004386	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M-H+CF3COOH"	112.985586
"1288943"	481.981064	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Cl+CF3COOH"	148.962264
"1367230"	298.006124	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H-2H2O"	-35.012676
"1385370"	316.0161	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H-H2O"	-17.0027
"284694"	667.044876	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+H"	1.007276
"676749"	1000.063676	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+H"	1.007276
"1362953"	334.026076	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H"	1.007276
"134752"	334.026076	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+2H"	2.014552
"575404"	500.535476	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+2H"	2.014552
"1046390"	167.516676	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2H"	2.014552
"214290"	223.019809333333	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+3H"	3.021828
"659331"	334.026076	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+3H"	3.021828
"1176724"	112.013542666667	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+3H"	3.021828
"438420"	684.071423	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+NH4"	18.033823
"800144"	1017.090223	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+NH4"	18.033823
"1696231"	351.052623	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+NH4"	18.033823
"343048"	342.5393495	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+H+NH4"	19.041099
"737298"	509.0487495	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+H+NH4"	19.041099
"1490023"	176.0299495	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H+NH4"	19.041099
"407245"	689.026818	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+Na"	22.989218
"768244"	1022.045618	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+Na"	22.989218
"1615976"	356.008018	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Na"	22.989218
"327468"	345.017047	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+H+Na"	23.996494
"719530"	511.526447	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+H+Na"	23.996494
"1476621"	178.507647	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H+Na"	23.996494
"1066228"	119.340856666667	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2H+Na"	25.00377
"1270452"	366.052286	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+CH3OH+H"	33.033486
"389025"	705.000758	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+K"	38.963158
"739090"	1038.019558	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+K"	38.963158
"1541138"	371.981958	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+K"	38.963158
"304884"	353.004017	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+H+K"	39.970434
"699494"	519.513417	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+H+K"	39.970434
"1451127"	186.494617	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H+K"	39.970434
"238634"	708.071426	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+ACN+H"	42.033826
"1213164"	375.052626	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+ACN+H"	42.033826
"1197778"	188.029951	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+ACN+2H"	43.041102
"191747"	711.00876	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+2Na-H"	44.97116
"632399"	1044.02756	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+2Na-H"	44.97116
"1143565"	377.98996	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2Na-H"	44.97116
"183209"	356.008018	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+2Na"	45.978436
"616935"	522.517418	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+2Na"	45.978436
"1124085"	189.498618	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2Na"	45.978436
"1407609"	126.668170666667	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H+2Na"	46.985712
"1433891"	380.031546	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H+HCOOH"	47.012746
"223223"	361.04104	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+3H2O+2H"	56.04448
"1520766"	394.08359	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+IsoProp+H"	61.06479
"418266"	363.994988	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+Na+K"	61.952376
"775615"	530.504388	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+Na+K"	61.952376
"1677782"	197.485588	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Na+K"	61.952376
"262117"	730.053368	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+ACN+Na"	64.015768
"1233732"	397.034568	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+ACN+Na"	64.015768
"1720431"	397.058093	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+NH4+HCOOH"	64.039293
"1186885"	133.995484666667	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+3Na"	68.967654
"1662247"	402.013488	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Na+HCOOH"	68.994688
"170203"	742.95664	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+2K-H"	76.91904
"610856"	1075.97544	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+2K-H"	76.91904
"1097920"	409.93784	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2K-H"	76.91904
"149997"	371.981958	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"2M+2K"	77.926316
"588463"	538.491358	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"3M+2K"	77.926316
"1081361"	205.472558	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2K"	77.926316
"1113963"	411.952392	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2K+H"	78.933592
"1340383"	412.040007	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+DMSO+H"	79.021207
"1020949"	416.079176	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2ACN+H"	83.060376
"1535788"	417.072808	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+IsoProp+Na+H"	84.054008
"1005031"	208.543226	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+2ACN+2H"	84.067652
"1602452"	417.987428	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+K+HCOOH"	84.968628
"1429568"	448.018938	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+H+CF3COOH"	115.000138
"1160340"	229.056501	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+3ACN+2H"	125.094202
"1705516"	465.045485	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+NH4+CF3COOH"	132.026685
"1638981"	470.00088	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+Na+CF3COOH"	136.98208
"1572809"	485.97482	"C08404"	"Glucocapparin;Methyl glucosinolate"	"C8H15NO9S2"	"333.0188"	"M+K+CF3COOH"	152.95602
"816664"	439.0277	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M"	0
"984000"	420.00931	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-H2O-H"	-19.01839
"73334"	291.677857333333	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M-3H"	-3.021828
"509616"	438.020424	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M-3H"	-3.021828
"889606"	145.335290666667	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-3H"	-3.021828
"11462"	438.020424	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M-2H"	-2.014552
"446648"	657.534274	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M-2H"	-2.014552
"820806"	218.506574	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-2H"	-2.014552
"84443"	877.048124	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M-H"	-1.007276
"524004"	1316.075824	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M-H"	-1.007276
"896820"	438.020424	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-H"	-1.007276
"47503"	894.074671	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M-2H+NH4"	16.019271
"488080"	1333.102371	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M-2H+NH4"	16.019271
"864537"	455.046971	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-2H+NH4"	16.019271
"31959"	899.030066	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M-2H+Na"	20.974666
"479917"	1338.057766	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M-2H+Na"	20.974666
"857718"	460.002366	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-2H+Na"	20.974666
"1621784"	460.002366	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Na-2H"	20.974666
"100501"	456.008763	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M-H+Cl"	33.962126
"541155"	675.522613	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M-H+Cl"	33.962126
"936859"	236.494913	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-H+Cl"	33.962126
"275416"	913.024802	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+Cl"	34.969402
"668933"	1352.052502	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+Cl"	34.969402
"1282431"	473.997102	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Cl"	34.969402
"29364"	915.004006	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M-2H+K"	36.948606
"470024"	1354.031706	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M-2H+K"	36.948606
"848191"	475.976306	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-2H+K"	36.948606
"1570952"	475.976306	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+K-2H"	36.948606
"955183"	484.025894	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-H+HCOOH"	44.998194
"373034"	923.053601	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+HCOOH-H"	44.998201
"360690"	937.069251	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+Hac-H"	59.013851
"1508330"	498.041551	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Hac-H"	59.013851
"973911"	506.007851	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-H+NaCOOH"	66.980151
"124758"	473.997102	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+2Cl"	69.938804
"565662"	693.510952	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+2Cl"	69.938804
"1032746"	254.483252	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2Cl"	69.938804
"1250137"	517.946585	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Br"	78.918885
"1311492"	520.002572	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Cl+HCOOH"	80.974872
"1322428"	541.984529	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Cl+NaCOOH"	102.956829
"912393"	552.013286	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M-H+CF3COOH"	112.985586
"1289338"	587.989964	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Cl+CF3COOH"	148.962264
"1367984"	404.015024	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H-2H2O"	-35.012676
"1388035"	422.025	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H-H2O"	-17.0027
"283832"	879.062676	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+H"	1.007276
"676616"	1318.090376	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+H"	1.007276
"1366344"	440.034976	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H"	1.007276
"140574"	440.034976	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+2H"	2.014552
"575514"	659.548826	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+2H"	2.014552
"1047593"	220.521126	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2H"	2.014552
"212213"	293.692409333333	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+3H"	3.021828
"659199"	440.034976	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+3H"	3.021828
"1176469"	147.349842666667	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+3H"	3.021828
"439139"	896.089223	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+NH4"	18.033823
"800499"	1335.116923	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+NH4"	18.033823
"1696874"	457.061523	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+NH4"	18.033823
"343524"	448.5482495	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+H+NH4"	19.041099
"738502"	668.0620995	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+H+NH4"	19.041099
"1492597"	229.0343995	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H+NH4"	19.041099
"407725"	901.044618	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+Na"	22.989218
"769529"	1340.072318	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+Na"	22.989218
"1617909"	462.016918	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Na"	22.989218
"327215"	451.025947	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+H+Na"	23.996494
"720974"	670.539797	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+H+Na"	23.996494
"1473087"	231.512097	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H+Na"	23.996494
"1065612"	154.677156666667	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2H+Na"	25.00377
"1270198"	472.061186	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+CH3OH+H"	33.033486
"388772"	917.018558	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+K"	38.963158
"739200"	1356.046258	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+K"	38.963158
"1540520"	477.990858	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+K"	38.963158
"308274"	459.012917	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+H+K"	39.970434
"700698"	678.526767	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+H+K"	39.970434
"1452330"	239.499067	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H+K"	39.970434
"239838"	920.089226	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+ACN+H"	42.033826
"1211454"	481.061526	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+ACN+H"	42.033826
"1198617"	241.034401	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+ACN+2H"	43.041102
"191493"	923.02656	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+2Na-H"	44.97116
"636519"	1362.05426	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+2Na-H"	44.97116
"1145495"	483.99886	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2Na-H"	44.97116
"182225"	462.016918	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+2Na"	45.978436
"619597"	681.530768	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+2Na"	45.978436
"1124195"	242.503068	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2Na"	45.978436
"1405532"	162.004470666667	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H+2Na"	46.985712
"1435460"	486.040446	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H+HCOOH"	47.012746
"222603"	467.04994	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+3H2O+2H"	56.04448
"1521970"	500.09249	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+IsoProp+H"	61.06479
"420564"	470.003888	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+Na+K"	61.952376
"774996"	689.517738	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+Na+K"	61.952376
"1674611"	250.490038	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Na+K"	61.952376
"258946"	942.071168	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+ACN+Na"	64.015768
"1236028"	503.043468	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+ACN+Na"	64.015768
"1725281"	503.066993	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+NH4+HCOOH"	64.039293
"1189182"	169.331784666667	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+3Na"	68.967654
"1663329"	508.022388	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Na+HCOOH"	68.994688
"165937"	954.97444	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+2K-H"	76.91904
"609872"	1394.00214	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+2K-H"	76.91904
"1096571"	515.94674	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2K-H"	76.91904
"151200"	477.990858	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"2M+2K"	77.926316
"588573"	697.504708	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"3M+2K"	77.926316
"1082443"	258.477008	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2K"	77.926316
"1113830"	517.961292	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2K+H"	78.933592
"1342680"	518.048907	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+DMSO+H"	79.021207
"1020939"	522.088076	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2ACN+H"	83.060376
"1536991"	523.081708	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+IsoProp+Na+H"	84.054008
"1004899"	261.547676	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+2ACN+2H"	84.067652
"1602362"	523.996328	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+K+HCOOH"	84.968628
"1429439"	554.027838	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+H+CF3COOH"	115.000138
"1160450"	282.060951	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+3ACN+2H"	125.094202
"1704533"	571.054385	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+NH4+CF3COOH"	132.026685
"1640184"	576.00978	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+Na+CF3COOH"	136.98208
"1572555"	591.98372	"C08405"	"Glucocheirolin;3-Methylsufonylpropyl glucosinolate"	"C11H21NO11S3"	"439.0277"	"M+K+CF3COOH"	152.95602
"812765"	405.0763	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M"	0
"984110"	386.05791	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-H2O-H"	-19.01839
"70164"	269.043590666667	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M-3H"	-3.021828
"505352"	404.069024	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M-3H"	-3.021828
"883883"	134.018157333333	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-3H"	-3.021828
"5011"	404.069024	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M-2H"	-2.014552
"443841"	606.607174	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M-2H"	-2.014552
"825654"	201.530874	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-2H"	-2.014552
"82000"	809.145324	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M-H"	-1.007276
"520831"	1214.221624	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M-H"	-1.007276
"897539"	404.069024	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-H"	-1.007276
"48755"	826.171871	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M-2H+NH4"	16.019271
"488194"	1231.248171	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M-2H+NH4"	16.019271
"864644"	421.095571	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-2H+NH4"	16.019271
"31775"	831.127266	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M-2H+Na"	20.974666
"482215"	1236.203566	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M-2H+Na"	20.974666
"855642"	426.050966	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-2H+Na"	20.974666
"1629550"	426.050966	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Na-2H"	20.974666
"102800"	422.057363	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M-H+Cl"	33.962126
"544552"	624.595513	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M-H+Cl"	33.962126
"940254"	219.519213	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-H+Cl"	33.962126
"282338"	845.122002	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+Cl"	34.969402
"669043"	1250.198302	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+Cl"	34.969402
"1288178"	440.045702	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Cl"	34.969402
"31058"	847.101206	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M-2H+K"	36.948606
"471334"	1252.177506	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M-2H+K"	36.948606
"848390"	442.024906	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-2H+K"	36.948606
"1571189"	442.024906	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+K-2H"	36.948606
"958191"	450.074494	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-H+HCOOH"	44.998194
"377107"	855.150801	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+HCOOH-H"	44.998201
"361084"	869.166451	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+Hac-H"	59.013851
"1508291"	464.090151	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Hac-H"	59.013851
"974118"	472.056451	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-H+NaCOOH"	66.980151
"125518"	440.045702	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+2Cl"	69.938804
"565597"	642.583852	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+2Cl"	69.938804
"1029575"	237.507552	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2Cl"	69.938804
"1251340"	483.995185	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Br"	78.918885
"1307957"	486.051172	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Cl+HCOOH"	80.974872
"1329099"	508.033129	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Cl+NaCOOH"	102.956829
"912503"	518.061886	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M-H+CF3COOH"	112.985586
"1289937"	554.038564	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Cl+CF3COOH"	148.962264
"1368827"	370.063624	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H-2H2O"	-35.012676
"1385958"	388.0736	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H-H2O"	-17.0027
"285645"	811.159876	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+H"	1.007276
"678428"	1216.236176	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+H"	1.007276
"1366089"	406.083576	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H"	1.007276
"139353"	406.083576	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+2H"	2.014552
"579642"	608.621726	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+2H"	2.014552
"1051603"	203.545426	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2H"	2.014552
"218775"	271.058142666667	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+3H"	3.021828
"659315"	406.083576	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+3H"	3.021828
"1178167"	136.032709333333	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+3H"	3.021828
"436207"	828.186423	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+NH4"	18.033823
"801013"	1233.262723	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+NH4"	18.033823
"1696698"	423.110123	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+NH4"	18.033823
"345509"	414.5968495	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+H+NH4"	19.041099
"736787"	617.1349995	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+H+NH4"	19.041099
"1487328"	212.0586995	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H+NH4"	19.041099
"400538"	833.141818	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+Na"	22.989218
"765907"	1238.218118	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+Na"	22.989218
"1614006"	428.065518	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Na"	22.989218
"325138"	417.074547	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+H+Na"	23.996494
"720476"	619.612697	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+H+Na"	23.996494
"1472472"	214.536397	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H+Na"	23.996494
"1059157"	143.360023333333	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2H+Na"	25.00377
"1264113"	438.109786	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+CH3OH+H"	33.033486
"382689"	849.115758	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+K"	38.963158
"740042"	1254.192058	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+K"	38.963158
"1541116"	444.039458	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+K"	38.963158
"299634"	425.061517	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+H+K"	39.970434
"696066"	627.599667	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+H+K"	39.970434
"1449522"	222.523367	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H+K"	39.970434
"239948"	852.186426	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+ACN+H"	42.033826
"1212292"	447.110126	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+ACN+H"	42.033826
"1197997"	224.058701	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+ACN+2H"	43.041102
"193423"	855.12376	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+2Na-H"	44.97116
"637725"	1260.20006	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+2Na-H"	44.97116
"1144514"	450.04746	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2Na-H"	44.97116
"182336"	428.065518	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+2Na"	45.978436
"622988"	630.603668	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+2Na"	45.978436
"1126496"	225.527368	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2Na"	45.978436
"1411111"	150.687337333333	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H+2Na"	46.985712
"1441040"	452.089046	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H+HCOOH"	47.012746
"227454"	433.09854	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+3H2O+2H"	56.04448
"1523051"	466.14109	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+IsoProp+H"	61.06479
"421767"	436.052488	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+Na+K"	61.952376
"777658"	638.590638	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+Na+K"	61.952376
"1671441"	233.514338	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Na+K"	61.952376
"259056"	874.168368	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+ACN+Na"	64.015768
"1237231"	469.092068	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+ACN+Na"	64.015768
"1721743"	469.115593	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+NH4+HCOOH"	64.039293
"1189292"	158.014651333333	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+3Na"	68.967654
"1665305"	474.070988	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Na+HCOOH"	68.994688
"170421"	887.07164	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+2K-H"	76.91904
"612169"	1292.14794	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+2K-H"	76.91904
"1099518"	481.99534	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2K-H"	76.91904
"153497"	444.039458	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"2M+2K"	77.926316
"588683"	646.577608	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"3M+2K"	77.926316
"1081945"	241.501308	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2K"	77.926316
"1115159"	484.009892	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2K+H"	78.933592
"1346070"	484.097507	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+DMSO+H"	79.021207
"1013506"	488.136676	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2ACN+H"	83.060376
"1536005"	489.130308	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+IsoProp+Na+H"	84.054008
"998078"	244.571976	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+2ACN+2H"	84.067652
"1592581"	490.044928	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+K+HCOOH"	84.968628
"1419335"	520.076438	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+H+CF3COOH"	115.000138
"1160560"	265.085251	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+3ACN+2H"	125.094202
"1706830"	537.102985	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+NH4+CF3COOH"	132.026685
"1637014"	542.05838	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+Na+CF3COOH"	136.98208
"1572665"	558.03232	"C08406"	"Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate"	"C12H23NO10S2"	"405.0763"	"M+K+CF3COOH"	152.95602
"815670"	375.0658	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M"	0
"983127"	356.04741	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H2O-H"	-19.01839
"69181"	249.036590666667	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-3H"	-3.021828
"505463"	374.058524	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-3H"	-3.021828
"886545"	124.014657333333	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-3H"	-3.021828
"1232"	374.058524	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H"	-2.014552
"442494"	561.591424	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H"	-2.014552
"823578"	186.525624	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H"	-2.014552
"79235"	749.124324	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-H"	-1.007276
"522035"	1124.190124	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-H"	-1.007276
"897650"	374.058524	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H"	-1.007276
"48743"	766.150871	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H+NH4"	16.019271
"487574"	1141.216671	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H+NH4"	16.019271
"864275"	391.085071	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H+NH4"	16.019271
"31588"	771.106266	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H+Na"	20.974666
"475035"	1146.172066	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H+Na"	20.974666
"852472"	396.040466	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H+Na"	20.974666
"1623464"	396.040466	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na-2H"	20.974666
"97805"	392.046863	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-H+Cl"	33.962126
"537732"	579.579763	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-H+Cl"	33.962126
"933800"	204.513963	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+Cl"	33.962126
"267737"	785.101002	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Cl"	34.969402
"668060"	1160.166802	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+Cl"	34.969402
"1280462"	410.035202	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl"	34.969402
"21926"	787.080206	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H+K"	36.948606
"470727"	1162.146006	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H+K"	36.948606
"844757"	412.014406	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H+K"	36.948606
"1570079"	412.014406	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K-2H"	36.948606
"958466"	420.063994	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+HCOOH"	44.998194
"375447"	795.129801	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+HCOOH-H"	44.998201
"360545"	809.145451	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Hac-H"	59.013851
"1508424"	434.079651	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Hac-H"	59.013851
"974094"	442.045951	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+NaCOOH"	66.980151
"125549"	410.035202	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2Cl"	69.938804
"565517"	597.568102	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2Cl"	69.938804
"1030780"	222.502302	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2Cl"	69.938804
"1251450"	453.984685	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Br"	78.918885
"1308432"	456.040672	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl+HCOOH"	80.974872
"1328116"	478.022629	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl+NaCOOH"	102.956829
"912249"	488.051386	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+CF3COOH"	112.985586
"1288710"	524.028064	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl+CF3COOH"	148.962264
"1368937"	340.053124	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H-2H2O"	-35.012676
"1386068"	358.0631	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H-H2O"	-17.0027
"286848"	751.138876	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H"	1.007276
"677081"	1126.204676	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H"	1.007276
"1365835"	376.073076	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H"	1.007276
"139463"	376.073076	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2H"	2.014552
"580118"	563.605976	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2H"	2.014552
"1051957"	188.540176	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2H"	2.014552
"219858"	251.051142666667	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+3H"	3.021828
"658202"	376.073076	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+3H"	3.021828
"1175962"	126.029209333333	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+3H"	3.021828
"438387"	768.165423	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+NH4"	18.033823
"800231"	1143.231223	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+NH4"	18.033823
"1695833"	393.099623	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+NH4"	18.033823
"343379"	384.5863495	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H+NH4"	19.041099
"734346"	572.1192495	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H+NH4"	19.041099
"1485250"	197.0534495	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+NH4"	19.041099
"397732"	773.120818	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Na"	22.989218
"764923"	1148.186618	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+Na"	22.989218
"1614844"	398.055018	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na"	22.989218
"325977"	387.064047	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H+Na"	23.996494
"719127"	574.596947	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H+Na"	23.996494
"1470393"	199.531147	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+Na"	23.996494
"1059267"	133.356523333333	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2H+Na"	25.00377
"1263130"	408.099286	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+CH3OH+H"	33.033486
"378302"	789.094758	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+K"	38.963158
"739173"	1164.160558	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+K"	38.963158
"1540421"	414.028958	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K"	38.963158
"299744"	395.051017	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H+K"	39.970434
"697635"	582.583917	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H+K"	39.970434
"1449268"	207.518117	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+K"	39.970434
"236775"	792.165426	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+ACN+H"	42.033826
"1210575"	417.099626	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+ACN+H"	42.033826
"1195554"	209.053451	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+ACN+2H"	43.041102
"190615"	795.10276	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2Na-H"	44.97116
"633459"	1170.16856	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2Na-H"	44.97116
"1143529"	420.03696	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2Na-H"	44.97116
"180259"	398.055018	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2Na"	45.978436
"623098"	585.587918	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2Na"	45.978436
"1127697"	210.522118	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2Na"	45.978436
"1405753"	140.683837333333	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+2Na"	46.985712
"1434952"	422.078546	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+HCOOH"	47.012746
"222824"	403.08804	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+3H2O+2H"	56.04448
"1521096"	436.13059	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+IsoProp+H"	61.06479
"421878"	406.041988	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Na+K"	61.952376
"777404"	593.574888	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+Na+K"	61.952376
"1674831"	218.509088	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na+K"	61.952376
"259166"	814.147368	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+ACN+Na"	64.015768
"1237341"	439.081568	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+ACN+Na"	64.015768
"1719667"	439.105093	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+NH4+HCOOH"	64.039293
"1190495"	148.011151333333	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+3Na"	68.967654
"1665212"	444.060488	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na+HCOOH"	68.994688
"170531"	827.05064	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2K-H"	76.91904
"612767"	1202.11644	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2K-H"	76.91904
"1099506"	451.98484	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2K-H"	76.91904
"153607"	414.028958	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2K"	77.926316
"588793"	601.561858	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2K"	77.926316
"1081813"	226.496058	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2K"	77.926316
"1115471"	453.999392	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2K+H"	78.933592
"1346180"	454.087007	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+DMSO+H"	79.021207
"1013616"	458.126176	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2ACN+H"	83.060376
"1536115"	459.119808	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+IsoProp+Na+H"	84.054008
"1001468"	229.566726	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2ACN+2H"	84.067652
"1592691"	460.034428	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K+HCOOH"	84.968628
"1419446"	490.065938	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+CF3COOH"	115.000138
"1159577"	250.080001	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+3ACN+2H"	125.094202
"1706940"	507.092485	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+NH4+CF3COOH"	132.026685
"1638217"	512.04788	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na+CF3COOH"	136.98208
"1572775"	528.02182	"C08407"	"Glucocochlearin;1-Methylpropyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K+CF3COOH"	152.95602
"816265"	391.0607	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M"	0
"984330"	372.04231	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-H2O-H"	-19.01839
"70384"	259.699857333333	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M-3H"	-3.021828
"506666"	390.053424	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M-3H"	-3.021828
"884468"	129.346290666667	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-3H"	-3.021828
"2678"	390.053424	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M-2H"	-2.014552
"444425"	585.583774	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M-2H"	-2.014552
"823687"	194.523074	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-2H"	-2.014552
"79667"	781.114124	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M-H"	-1.007276
"520686"	1172.174824	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M-H"	-1.007276
"896300"	390.053424	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-H"	-1.007276
"49947"	798.140671	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M-2H+NH4"	16.019271
"488048"	1189.201371	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M-2H+NH4"	16.019271
"865243"	407.079971	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-2H+NH4"	16.019271
"32084"	803.096066	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M-2H+Na"	20.974666
"475145"	1194.156766	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M-2H+Na"	20.974666
"852946"	412.035366	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-2H+Na"	20.974666
"1623574"	412.035366	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Na-2H"	20.974666
"95725"	408.041763	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M-H+Cl"	33.962126
"537112"	603.572113	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M-H+Cl"	33.962126
"928078"	212.511413	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-H+Cl"	33.962126
"269304"	817.090802	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+Cl"	34.969402
"664888"	1208.151502	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+Cl"	34.969402
"1278385"	426.030102	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Cl"	34.969402
"16933"	819.070006	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M-2H+K"	36.948606
"470834"	1210.130706	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M-2H+K"	36.948606
"837213"	428.009306	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-2H+K"	36.948606
"1570189"	428.009306	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+K-2H"	36.948606
"958155"	436.058894	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-H+HCOOH"	44.998194
"375921"	827.119601	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+HCOOH-H"	44.998201
"360167"	841.135251	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+Hac-H"	59.013851
"1508170"	450.074551	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Hac-H"	59.013851
"973510"	458.040851	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-H+NaCOOH"	66.980151
"124721"	426.030102	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+2Cl"	69.938804
"564280"	621.560452	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+2Cl"	69.938804
"1024328"	230.499752	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2Cl"	69.938804
"1242813"	469.979585	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Br"	78.918885
"1305990"	472.035572	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Cl+HCOOH"	80.974872
"1322759"	494.017529	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Cl+NaCOOH"	102.956829
"912717"	504.046286	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M-H+CF3COOH"	112.985586
"1289670"	540.022964	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Cl+CF3COOH"	148.962264
"1369287"	356.048024	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H-2H2O"	-35.012676
"1385084"	374.058	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H-H2O"	-17.0027
"286957"	783.128676	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+H"	1.007276
"678648"	1174.189376	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+H"	1.007276
"1365579"	392.067976	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H"	1.007276
"140299"	392.067976	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+2H"	2.014552
"579493"	587.598326	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+2H"	2.014552
"1050850"	196.537626	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2H"	2.014552
"218751"	261.714409333333	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+3H"	3.021828
"659040"	392.067976	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+3H"	3.021828
"1176072"	131.360842666667	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+3H"	3.021828
"437884"	800.155223	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+NH4"	18.033823
"798880"	1191.215923	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+NH4"	18.033823
"1691932"	409.094523	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+NH4"	18.033823
"338020"	400.5812495	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+H+NH4"	19.041099
"734456"	596.1115995	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+H+NH4"	19.041099
"1486453"	205.0508995	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H+NH4"	19.041099
"394927"	805.110618	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+Na"	22.989218
"755192"	1196.171318	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+Na"	22.989218
"1606571"	414.049918	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Na"	22.989218
"320983"	403.058947	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+H+Na"	23.996494
"713402"	598.589297	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+H+Na"	23.996494
"1465036"	207.528597	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H+Na"	23.996494
"1053910"	138.688156666667	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2H+Na"	25.00377
"1258865"	424.094186	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+CH3OH+H"	33.033486
"379627"	821.084558	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+K"	38.963158
"738918"	1212.145258	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+K"	38.963158
"1540485"	430.023858	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+K"	38.963158
"298996"	411.045917	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+H+K"	39.970434
"693370"	606.576267	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+H+K"	39.970434
"1446093"	215.515567	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H+K"	39.970434
"236194"	824.155226	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+ACN+H"	42.033826
"1210276"	433.094526	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+ACN+H"	42.033826
"1194569"	217.050901	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+ACN+2H"	43.041102
"189016"	827.09256	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+2Na-H"	44.97116
"629924"	1218.15326	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+2Na-H"	44.97116
"1140360"	436.03186	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2Na-H"	44.97116
"176358"	414.049918	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+2Na"	45.978436
"618105"	609.580268	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+2Na"	45.978436
"1121246"	218.519568	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2Na"	45.978436
"1405863"	146.015470666667	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H+2Na"	46.985712
"1436884"	438.073446	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H+HCOOH"	47.012746
"222932"	419.08294	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+3H2O+2H"	56.04448
"1517925"	452.12549	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+IsoProp+H"	61.06479
"411051"	422.036888	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+Na+K"	61.952376
"771679"	617.567238	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+Na+K"	61.952376
"1669838"	226.506538	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Na+K"	61.952376
"255996"	846.137168	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+ACN+Na"	64.015768
"1227973"	455.076468	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+ACN+Na"	64.015768
"1715036"	455.099993	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+NH4+HCOOH"	64.039293
"1182949"	153.342784666667	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+3Na"	68.967654
"1663780"	460.055388	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Na+HCOOH"	68.994688
"166267"	859.04044	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+2K-H"	76.91904
"612349"	1250.10114	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+2K-H"	76.91904
"1093621"	467.97974	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2K-H"	76.91904
"152624"	430.023858	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"2M+2K"	77.926316
"589996"	625.554208	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"3M+2K"	77.926316
"1082895"	234.493508	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2K"	77.926316
"1114403"	469.994292	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2K+H"	78.933592
"1344103"	470.081907	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+DMSO+H"	79.021207
"1013726"	474.121076	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2ACN+H"	83.060376
"1532945"	475.114708	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+IsoProp+Na+H"	84.054008
"993924"	237.564176	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+2ACN+2H"	84.067652
"1589885"	476.029328	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+K+HCOOH"	84.968628
"1417733"	506.060838	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+H+CF3COOH"	115.000138
"1158593"	258.077451	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+3ACN+2H"	125.094202
"1709236"	523.087385	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+NH4+CF3COOH"	132.026685
"1638327"	528.04278	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+Na+CF3COOH"	136.98208
"1571791"	544.01672	"C08408"	"Glucoconringiin;2-Hydroxy-2-methylpropyl glucosinolate"	"C11H21NO10S2"	"391.0607"	"M+K+CF3COOH"	152.95602
"816011"	421.0535	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M"	0
"983347"	402.03511	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-H2O-H"	-19.01839
"68308"	279.695057333333	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M-3H"	-3.021828
"512243"	420.046224	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M-3H"	-3.021828
"887859"	139.343890666667	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-3H"	-3.021828
"3153"	420.046224	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M-2H"	-2.014552
"447089"	630.572974	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M-2H"	-2.014552
"821610"	209.519474	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-2H"	-2.014552
"80872"	841.099724	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M-H"	-1.007276
"522254"	1262.153224	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M-H"	-1.007276
"898961"	420.046224	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-H"	-1.007276
"59898"	858.126271	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M-2H+NH4"	16.019271
"492898"	1279.179771	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M-2H+NH4"	16.019271
"872887"	437.072771	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-2H+NH4"	16.019271
"40785"	863.081666	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M-2H+Na"	20.974666
"478171"	1284.135166	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M-2H+Na"	20.974666
"853056"	442.028166	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-2H+Na"	20.974666
"1626600"	442.028166	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Na-2H"	20.974666
"96202"	438.034563	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M-H+Cl"	33.962126
"535761"	648.561313	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M-H+Cl"	33.962126
"927945"	227.507813	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-H+Cl"	33.962126
"269291"	877.076402	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+Cl"	34.969402
"664998"	1298.129902	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+Cl"	34.969402
"1277402"	456.022902	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Cl"	34.969402
"17407"	879.055606	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M-2H+K"	36.948606
"469973"	1300.109106	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M-2H+K"	36.948606
"838416"	458.002106	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-2H+K"	36.948606
"1569205"	458.002106	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+K-2H"	36.948606
"958389"	466.051694	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-H+HCOOH"	44.998194
"376031"	887.105201	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+HCOOH-H"	44.998201
"359184"	901.120851	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+Hac-H"	59.013851
"1507746"	480.067351	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Hac-H"	59.013851
"973740"	488.033651	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-H+NaCOOH"	66.980151
"123737"	456.022902	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+2Cl"	69.938804
"564757"	666.549652	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+2Cl"	69.938804
"1023344"	245.496152	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2Cl"	69.938804
"1242924"	499.972385	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Br"	78.918885
"1305007"	502.028372	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Cl+HCOOH"	80.974872
"1320397"	524.010329	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Cl+NaCOOH"	102.956829
"912950"	534.039086	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M-H+CF3COOH"	112.985586
"1290267"	570.015764	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Cl+CF3COOH"	148.962264
"1371343"	386.040824	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H-2H2O"	-35.012676
"1389567"	404.0508	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H-H2O"	-17.0027
"289253"	843.114276	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+H"	1.007276
"680581"	1264.167776	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+H"	1.007276
"1363868"	422.060776	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H"	1.007276
"129835"	422.060776	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+2H"	2.014552
"580337"	632.587526	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+2H"	2.014552
"1051935"	211.534026	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2H"	2.014552
"218864"	281.709609333333	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+3H"	3.021828
"658783"	422.060776	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+3H"	3.021828
"1173629"	141.358442666667	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+3H"	3.021828
"439088"	860.140823	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+NH4"	18.033823
"797897"	1281.194323	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+NH4"	18.033823
"1692040"	439.087323	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+NH4"	18.033823
"338130"	430.5740495	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+H+NH4"	19.041099
"728365"	641.1007995	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+H+NH4"	19.041099
"1477934"	220.0472995	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H+NH4"	19.041099
"394184"	865.096218	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+Na"	22.989218
"754446"	1286.149718	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+Na"	22.989218
"1604494"	444.042718	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Na"	22.989218
"320000"	433.051747	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+H+Na"	23.996494
"712419"	643.578497	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+H+Na"	23.996494
"1467333"	222.524997	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H+Na"	23.996494
"1053169"	148.685756666667	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2H+Na"	25.00377
"1258123"	454.086986	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+CH3OH+H"	33.033486
"378276"	881.070158	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+K"	38.963158
"739147"	1302.123658	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+K"	38.963158
"1540717"	460.016658	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+K"	38.963158
"300326"	441.038717	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+H+K"	39.970434
"692263"	651.565467	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+H+K"	39.970434
"1447664"	230.511967	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H+K"	39.970434
"236749"	884.140826	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+ACN+H"	42.033826
"1211642"	463.087326	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+ACN+H"	42.033826
"1195039"	232.047301	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+ACN+2H"	43.041102
"192660"	887.07816	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+2Na-H"	44.97116
"639150"	1308.13166	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+2Na-H"	44.97116
"1140470"	466.02466	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2Na-H"	44.97116
"181573"	444.042718	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+2Na"	45.978436
"621133"	654.569468	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+2Na"	45.978436
"1125731"	233.515968	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2Na"	45.978436
"1403787"	156.013070666667	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H+2Na"	46.985712
"1434080"	468.066246	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H+HCOOH"	47.012746
"224504"	449.07574	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+3H2O+2H"	56.04448
"1511474"	482.11829	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+IsoProp+H"	61.06479
"411161"	452.029688	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+Na+K"	61.952376
"771181"	662.556438	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+Na+K"	61.952376
"1670312"	241.502938	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Na+K"	61.952376
"253914"	906.122768	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+ACN+Na"	64.015768
"1226623"	485.069268	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+ACN+Na"	64.015768
"1714780"	485.092793	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+NH4+HCOOH"	64.039293
"1178799"	163.340384666667	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+3Na"	68.967654
"1663769"	490.048188	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Na+HCOOH"	68.994688
"166377"	919.02604	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+2K-H"	76.91904
"611285"	1340.07954	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+2K-H"	76.91904
"1093730"	497.97254	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2K-H"	76.91904
"152734"	460.016658	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"2M+2K"	77.926316
"590106"	670.543408	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"3M+2K"	77.926316
"1083005"	249.489908	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2K"	77.926316
"1112203"	499.987092	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2K+H"	78.933592
"1343120"	500.074707	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+DMSO+H"	79.021207
"1016023"	504.113876	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2ACN+H"	83.060376
"1535242"	505.107508	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+IsoProp+Na+H"	84.054008
"994035"	252.560576	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+2ACN+2H"	84.067652
"1590726"	506.022128	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+K+HCOOH"	84.968628
"1425134"	536.053638	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+H+CF3COOH"	115.000138
"1159796"	273.073851	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+3ACN+2H"	125.094202
"1709348"	553.080185	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+NH4+CF3COOH"	132.026685
"1640624"	558.03558	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+Na+CF3COOH"	136.98208
"1574090"	574.00952	"C08409"	"Glucoerucin;4-Methylthiobutyl glucosinolate"	"C12H23NO9S3"	"421.0535"	"M+K+CF3COOH"	152.95602
"811016"	453.0433	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M"	0
"983457"	434.02491	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-H2O-H"	-19.01839
"68417"	301.021590666667	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M-3H"	-3.021828
"503967"	452.036024	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M-3H"	-3.021828
"891248"	150.007157333333	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-3H"	-3.021828
"5449"	452.036024	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M-2H"	-2.014552
"446106"	678.557674	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M-2H"	-2.014552
"821720"	225.514374	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-2H"	-2.014552
"79646"	905.079324	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M-H"	-1.007276
"521271"	1358.122624	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M-H"	-1.007276
"901258"	452.036024	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-H"	-1.007276
"57821"	922.105871	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M-2H+NH4"	16.019271
"494101"	1375.149171	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M-2H+NH4"	16.019271
"871903"	469.062571	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-2H+NH4"	16.019271
"43082"	927.061266	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M-2H+Na"	20.974666
"478281"	1380.104566	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M-2H+Na"	20.974666
"853895"	474.017966	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-2H+Na"	20.974666
"1626710"	474.017966	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Na-2H"	20.974666
"96312"	470.024363	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M-H+Cl"	33.962126
"536234"	696.546013	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M-H+Cl"	33.962126
"929391"	243.502713	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-H+Cl"	33.962126
"269402"	941.056002	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+Cl"	34.969402
"665108"	1394.099302	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+Cl"	34.969402
"1278605"	488.012702	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Cl"	34.969402
"16789"	943.035206	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M-2H+K"	36.948606
"466193"	1396.078506	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M-2H+K"	36.948606
"838526"	489.991906	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-2H+K"	36.948606
"1570529"	489.991906	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+K-2H"	36.948606
"957565"	498.041494	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-H+HCOOH"	44.998194
"376345"	951.084801	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+HCOOH-H"	44.998201
"360751"	965.100451	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+Hac-H"	59.013851
"1507885"	512.057151	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Hac-H"	59.013851
"973119"	520.023451	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-H+NaCOOH"	66.980151
"124455"	488.012702	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+2Cl"	69.938804
"564498"	714.534352	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+2Cl"	69.938804
"1036905"	261.491052	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2Cl"	69.938804
"1249595"	531.962185	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Br"	78.918885
"1307668"	534.018172	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Cl+HCOOH"	80.974872
"1322977"	556.000129	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Cl+NaCOOH"	102.956829
"912940"	566.028886	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M-H+CF3COOH"	112.985586
"1291471"	602.005564	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Cl+CF3COOH"	148.962264
"1368537"	418.030624	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H-2H2O"	-35.012676
"1383481"	436.0406	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H-H2O"	-17.0027
"283406"	907.093876	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+H"	1.007276
"676354"	1360.137176	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+H"	1.007276
"1362518"	454.050576	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H"	1.007276
"129216"	454.050576	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+2H"	2.014552
"580810"	680.572226	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+2H"	2.014552
"1051921"	227.528926	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2H"	2.014552
"219866"	303.036142666667	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+3H"	3.021828
"655614"	454.050576	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+3H"	3.021828
"1171552"	152.021709333333	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+3H"	3.021828
"435917"	924.120423	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+NH4"	18.033823
"798007"	1377.163723	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+NH4"	18.033823
"1692149"	471.077123	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+NH4"	18.033823
"338240"	462.5638495	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+H+NH4"	19.041099
"729568"	689.0854995	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+H+NH4"	19.041099
"1478652"	236.0421995	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H+NH4"	19.041099
"395144"	929.075818	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+Na"	22.989218
"754680"	1382.119118	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+Na"	22.989218
"1607884"	476.032518	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Na"	22.989218
"317923"	465.041547	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+H+Na"	23.996494
"711436"	691.563197	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+H+Na"	23.996494
"1468536"	238.519897	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H+Na"	23.996494
"1057409"	159.349023333333	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2H+Na"	25.00377
"1258720"	486.076786	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+CH3OH+H"	33.033486
"378386"	945.049758	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+K"	38.963158
"739382"	1398.093058	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+K"	38.963158
"1541070"	492.006458	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+K"	38.963158
"300072"	473.028517	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+H+K"	39.970434
"692248"	699.550167	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+H+K"	39.970434
"1448503"	246.506867	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H+K"	39.970434
"237223"	948.120426	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+ACN+H"	42.033826
"1211266"	495.077126	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+ACN+H"	42.033826
"1195635"	248.042201	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+ACN+2H"	43.041102
"194592"	951.05776	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+2Na-H"	44.97116
"638167"	1404.10106	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+2Na-H"	44.97116
"1140580"	498.01446	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2Na-H"	44.97116
"178766"	476.032518	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+2Na"	45.978436
"622336"	702.554168	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+2Na"	45.978436
"1123654"	249.510868	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2Na"	45.978436
"1404990"	166.676337333333	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H+2Na"	46.985712
"1435283"	500.056046	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H+HCOOH"	47.012746
"226800"	481.06554	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+3H2O+2H"	56.04448
"1512677"	514.10809	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+IsoProp+H"	61.06479
"411272"	484.019488	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+Na+K"	61.952376
"773721"	710.541138	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+Na+K"	61.952376
"1670422"	257.497838	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Na+K"	61.952376
"254024"	970.102368	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+ACN+Na"	64.015768
"1226488"	517.059068	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+ACN+Na"	64.015768
"1714521"	517.082593	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+NH4+HCOOH"	64.039293
"1180245"	174.003651333333	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+3Na"	68.967654
"1663515"	522.037988	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Na+HCOOH"	68.994688
"166487"	983.00564	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+2K-H"	76.91904
"611274"	1436.04894	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+2K-H"	76.91904
"1093840"	529.96234	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2K-H"	76.91904
"150657"	492.006458	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"2M+2K"	77.926316
"588029"	718.528108	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"3M+2K"	77.926316
"1082751"	265.484808	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2K"	77.926316
"1112313"	531.976892	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2K+H"	78.933592
"1343230"	532.064507	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+DMSO+H"	79.021207
"1015769"	536.103676	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2ACN+H"	83.060376
"1535352"	537.097308	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+IsoProp+Na+H"	84.054008
"994145"	268.555476	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+2ACN+2H"	84.067652
"1590836"	538.011928	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+K+HCOOH"	84.968628
"1423057"	568.043438	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+H+CF3COOH"	115.000138
"1158813"	289.068751	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+3ACN+2H"	125.094202
"1711644"	585.069985	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+NH4+CF3COOH"	132.026685
"1640734"	590.02538	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+Na+CF3COOH"	136.98208
"1574200"	605.99932	"C08410"	"Glucoerysolin;4-Methylsulfonylbutyl glucosinolate"	"C12H23NO11S3"	"453.0433"	"M+K+CF3COOH"	152.95602
"811126"	423.0328	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M"	0
"983567"	404.01441	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-H2O-H"	-19.01839
"68528"	281.014590666667	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M-3H"	-3.021828
"504078"	422.025524	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M-3H"	-3.021828
"889172"	140.003657333333	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-3H"	-3.021828
"5559"	422.025524	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M-2H"	-2.014552
"446216"	633.541924	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M-2H"	-2.014552
"820736"	210.509124	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-2H"	-2.014552
"82915"	845.058324	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M-H"	-1.007276
"523568"	1268.091124	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M-H"	-1.007276
"902464"	422.025524	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-H"	-1.007276
"60118"	862.084871	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M-2H+NH4"	16.019271
"494211"	1285.117671	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M-2H+NH4"	16.019271
"875293"	439.052071	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-2H+NH4"	16.019271
"43193"	867.040266	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M-2H+Na"	20.974666
"479484"	1290.073066	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M-2H+Na"	20.974666
"854005"	444.007466	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-2H+Na"	20.974666
"1624633"	444.007466	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Na-2H"	20.974666
"96788"	440.013863	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M-H+Cl"	33.962126
"535255"	651.530263	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M-H+Cl"	33.962126
"930959"	228.497463	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-H+Cl"	33.962126
"269514"	881.035002	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+Cl"	34.969402
"665218"	1304.067802	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+Cl"	34.969402
"1278715"	458.002202	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Cl"	34.969402
"17992"	883.014206	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M-2H+K"	36.948606
"466303"	1306.047006	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M-2H+K"	36.948606
"838636"	459.981406	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-2H+K"	36.948606
"1569422"	459.981406	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+K-2H"	36.948606
"958460"	468.030994	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-H+HCOOH"	44.998194
"376987"	891.063801	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+HCOOH-H"	44.998201
"361198"	905.079451	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+Hac-H"	59.013851
"1508347"	482.046651	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Hac-H"	59.013851
"973956"	490.012951	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-H+NaCOOH"	66.980151
"125297"	458.002202	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+2Cl"	69.938804
"560233"	669.518602	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+2Cl"	69.938804
"1036931"	246.485802	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2Cl"	69.938804
"1254077"	501.951685	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Br"	78.918885
"1307778"	504.007672	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Cl+HCOOH"	80.974872
"1321263"	525.989629	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Cl+NaCOOH"	102.956829
"912440"	536.018386	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M-H+CF3COOH"	112.985586
"1290488"	571.995064	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Cl+CF3COOH"	148.962264
"1368645"	388.020124	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H-2H2O"	-35.012676
"1382980"	406.0301	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H-H2O"	-17.0027
"284001"	847.072876	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+H"	1.007276
"675815"	1270.105676	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+H"	1.007276
"1361534"	424.040076	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H"	1.007276
"134430"	424.040076	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+2H"	2.014552
"576544"	635.556476	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+2H"	2.014552
"1052273"	212.523676	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2H"	2.014552
"218713"	283.029142666667	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+3H"	3.021828
"657907"	424.040076	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+3H"	3.021828
"1168382"	142.018209333333	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+3H"	3.021828
"437120"	864.099423	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+NH4"	18.033823
"798844"	1287.132223	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+NH4"	18.033823
"1692259"	441.066623	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+NH4"	18.033823
"338350"	432.5533495	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+H+NH4"	19.041099
"730771"	644.0697495	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+H+NH4"	19.041099
"1479127"	221.0369495	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H+NH4"	19.041099
"394889"	869.054818	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+Na"	22.989218
"756005"	1292.087618	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+Na"	22.989218
"1607994"	446.022018	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Na"	22.989218
"320217"	435.031047	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+H+Na"	23.996494
"715919"	646.547447	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+H+Na"	23.996494
"1468645"	223.514647	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H+Na"	23.996494
"1059706"	149.345523333333	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2H+Na"	25.00377
"1257859"	456.066286	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+CH3OH+H"	33.033486
"377683"	885.028758	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+K"	38.963158
"739046"	1308.061558	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+K"	38.963158
"1540816"	461.995958	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+K"	38.963158
"299817"	443.018017	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+H+K"	39.970434
"692968"	654.534417	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+H+K"	39.970434
"1445931"	231.501617	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H+K"	39.970434
"237212"	888.099426	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+ACN+H"	42.033826
"1211740"	465.066626	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+ACN+H"	42.033826
"1195989"	233.036951	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+ACN+2H"	43.041102
"197618"	891.03676	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+2Na-H"	44.97116
"632440"	1314.06956	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+2Na-H"	44.97116
"1140690"	468.00396	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2Na-H"	44.97116
"179240"	446.022018	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+2Na"	45.978436
"623539"	657.538418	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+2Na"	45.978436
"1127044"	234.505618	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2Na"	45.978436
"1405100"	156.672837333333	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H+2Na"	46.985712
"1438309"	470.045546	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H+HCOOH"	47.012746
"226910"	451.05504	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+3H2O+2H"	56.04448
"1514974"	484.09759	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+IsoProp+H"	61.06479
"413928"	454.008988	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+Na+K"	61.952376
"773830"	665.525388	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+Na+K"	61.952376
"1668345"	242.492588	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Na+K"	61.952376
"254132"	910.081368	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+ACN+Na"	64.015768
"1227203"	487.048568	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+ACN+Na"	64.015768
"1712929"	487.072093	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+NH4+HCOOH"	64.039293
"1179993"	164.000151333333	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+3Na"	68.967654
"1662653"	492.027488	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Na+HCOOH"	68.994688
"166598"	922.98464	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+2K-H"	76.91904
"611262"	1346.01744	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+2K-H"	76.91904
"1091034"	499.95184	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2K-H"	76.91904
"152954"	461.995958	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"2M+2K"	77.926316
"590326"	673.512358	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"3M+2K"	77.926316
"1083225"	250.479558	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2K"	77.926316
"1112423"	501.966392	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2K+H"	78.933592
"1345527"	502.054007	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+DMSO+H"	79.021207
"1015150"	506.093176	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2ACN+H"	83.060376
"1535462"	507.086808	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+IsoProp+Na+H"	84.054008
"996441"	253.550226	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+2ACN+2H"	84.067652
"1592039"	508.001428	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+K+HCOOH"	84.968628
"1423167"	538.032938	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+H+CF3COOH"	115.000138
"1160016"	274.063501	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+3ACN+2H"	125.094202
"1711026"	555.059485	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+NH4+CF3COOH"	132.026685
"1640844"	560.01488	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+Na+CF3COOH"	136.98208
"1574310"	575.98882	"C08411"	"Glucoiberin;3-Methylsulfinylpropyl glucosinolate"	"C11H21NO10S3"	"423.0328"	"M+K+CF3COOH"	152.95602
"811236"	407.0378	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M"	0
"984771"	388.01941	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-H2O-H"	-19.01839
"68637"	270.351257333333	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M-3H"	-3.021828
"508199"	406.030524	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M-3H"	-3.021828
"887096"	134.671990666667	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-3H"	-3.021828
"5669"	406.030524	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M-2H"	-2.014552
"445233"	609.549424	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M-2H"	-2.014552
"818659"	202.511624	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-2H"	-2.014552
"82296"	813.068324	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M-H"	-1.007276
"525866"	1220.106124	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M-H"	-1.007276
"903667"	406.030524	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-H"	-1.007276
"59987"	830.094871	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M-2H+NH4"	16.019271
"496508"	1237.132671	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M-2H+NH4"	16.019271
"874311"	423.057071	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-2H+NH4"	16.019271
"41116"	835.050266	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M-2H+Na"	20.974666
"478501"	1242.088066	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M-2H+Na"	20.974666
"854115"	428.012466	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-2H+Na"	20.974666
"1626930"	428.012466	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Na-2H"	20.974666
"103461"	424.018863	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M-H+Cl"	33.962126
"534999"	627.537763	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M-H+Cl"	33.962126
"934350"	220.499963	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-H+Cl"	33.962126
"272906"	849.045002	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+Cl"	34.969402
"668609"	1256.082802	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+Cl"	34.969402
"1275545"	442.007202	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Cl"	34.969402
"23571"	851.024206	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M-2H+K"	36.948606
"466413"	1258.062006	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M-2H+K"	36.948606
"838746"	443.986406	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-2H+K"	36.948606
"1569168"	443.986406	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+K-2H"	36.948606
"958023"	452.035994	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-H+HCOOH"	44.998194
"376358"	859.073801	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+HCOOH-H"	44.998201
"361268"	873.089451	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+Hac-H"	59.013851
"1507946"	466.051651	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Hac-H"	59.013851
"973215"	474.017951	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-H+NaCOOH"	66.980151
"124674"	442.007202	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+2Cl"	69.938804
"562530"	645.526102	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+2Cl"	69.938804
"1036192"	238.488302	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2Cl"	69.938804
"1254917"	485.956685	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Br"	78.918885
"1306796"	488.012672	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Cl+HCOOH"	80.974872
"1320645"	509.994629	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Cl+NaCOOH"	102.956829
"913162"	520.023386	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M-H+CF3COOH"	112.985586
"1289505"	556.000064	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Cl+CF3COOH"	148.962264
"1367461"	372.025124	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H-2H2O"	-35.012676
"1382818"	390.0351	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H-H2O"	-17.0027
"282891"	815.082876	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+H"	1.007276
"676292"	1222.120676	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+H"	1.007276
"1361644"	408.045076	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H"	1.007276
"132352"	408.045076	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+2H"	2.014552
"568631"	611.563976	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+2H"	2.014552
"1049098"	204.526176	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2H"	2.014552
"212989"	272.365809333333	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+3H"	3.021828
"657531"	408.045076	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+3H"	3.021828
"1172495"	136.686542666667	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+3H"	3.021828
"436866"	832.109423	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+NH4"	18.033823
"799683"	1239.147223	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+NH4"	18.033823
"1692366"	425.071623	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+NH4"	18.033823
"340642"	416.5583495	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+H+NH4"	19.041099
"728694"	620.0772495	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+H+NH4"	19.041099
"1483612"	213.0394495	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H+NH4"	19.041099
"395364"	837.064818	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+Na"	22.989218
"756358"	1244.102618	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+Na"	22.989218
"1607009"	430.027018	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Na"	22.989218
"321420"	419.036047	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+H+Na"	23.996494
"713841"	622.554947	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+H+Na"	23.996494
"1465839"	215.517147	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H+Na"	23.996494
"1057629"	144.013856666667	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2H+Na"	25.00377
"1258212"	440.071286	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+CH3OH+H"	33.033486
"377226"	853.038758	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+K"	38.963158
"738749"	1260.076558	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+K"	38.963158
"1540033"	446.000958	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+K"	38.963158
"298707"	427.023017	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+H+K"	39.970434
"691657"	630.541917	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+H+K"	39.970434
"1447258"	223.504117	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H+K"	39.970434
"235861"	856.109426	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+ACN+H"	42.033826
"1210392"	449.071626	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+ACN+H"	42.033826
"1194680"	225.039451	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+ACN+2H"	43.041102
"193718"	859.04676	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+2Na-H"	44.97116
"632186"	1266.08456	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+2Na-H"	44.97116
"1139705"	452.00896	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2Na-H"	44.97116
"179715"	430.027018	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+2Na"	45.978436
"618181"	633.545918	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+2Na"	45.978436
"1121686"	226.508118	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2Na"	45.978436
"1405210"	151.341170666667	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H+2Na"	46.985712
"1440605"	454.050546	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H+HCOOH"	47.012746
"227020"	435.06004	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+3H2O+2H"	56.04448
"1515083"	468.10259	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+IsoProp+H"	61.06479
"412580"	438.013988	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+Na+K"	61.952376
"773581"	641.532888	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+Na+K"	61.952376
"1667360"	234.495088	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Na+K"	61.952376
"252054"	878.091368	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+ACN+Na"	64.015768
"1226058"	471.053568	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+ACN+Na"	64.015768
"1713069"	471.077093	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+NH4+HCOOH"	64.039293
"1180099"	158.668484666667	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+3Na"	68.967654
"1659847"	476.032488	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Na+HCOOH"	68.994688
"168894"	890.99464	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+2K-H"	76.91904
"611372"	1298.03244	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+2K-H"	76.91904
"1091144"	483.95684	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2K-H"	76.91904
"150877"	446.000958	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"2M+2K"	77.926316
"590436"	649.519858	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"3M+2K"	77.926316
"1083092"	242.482058	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2K"	77.926316
"1110346"	485.971392	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2K+H"	78.933592
"1346731"	486.059007	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+DMSO+H"	79.021207
"1016354"	490.098176	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2ACN+H"	83.060376
"1535572"	491.091808	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+IsoProp+Na+H"	84.054008
"996551"	245.552726	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+2ACN+2H"	84.067652
"1594336"	492.006428	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+K+HCOOH"	84.968628
"1423277"	522.037938	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+H+CF3COOH"	115.000138
"1160856"	266.066001	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+3ACN+2H"	125.094202
"1710044"	539.064485	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+NH4+CF3COOH"	132.026685
"1639861"	544.01988	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+Na+CF3COOH"	136.98208
"1574420"	559.99382	"C08412"	"Glucoiberverin;3-Methylthiopropyl glucosinolate"	"C11H21NO9S3"	"407.0378"	"M+K+CF3COOH"	152.95602
"811346"	347.0345	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M"	0
"982692"	328.01611	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-H2O-H"	-19.01839
"68746"	230.349057333333	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M-3H"	-3.021828
"507214"	346.027224	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M-3H"	-3.021828
"889392"	114.670890666667	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-3H"	-3.021828
"4686"	346.027224	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M-2H"	-2.014552
"450808"	519.544474	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M-2H"	-2.014552
"822052"	172.509974	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-2H"	-2.014552
"83500"	693.061724	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M-H"	-1.007276
"527070"	1040.096224	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M-H"	-1.007276
"903778"	346.027224	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-H"	-1.007276
"57058"	710.088271	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M-2H+NH4"	16.019271
"496618"	1057.122771	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M-2H+NH4"	16.019271
"874420"	363.053771	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-2H+NH4"	16.019271
"39039"	715.043666	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M-2H+Na"	20.974666
"478611"	1062.078166	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M-2H+Na"	20.974666
"854225"	368.009166	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-2H+Na"	20.974666
"1627040"	368.009166	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Na-2H"	20.974666
"103571"	364.015563	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M-H+Cl"	33.962126
"535473"	537.532813	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M-H+Cl"	33.962126
"931180"	190.498313	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-H+Cl"	33.962126
"273016"	729.038402	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+Cl"	34.969402
"665439"	1076.072902	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+Cl"	34.969402
"1275653"	382.003902	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Cl"	34.969402
"21493"	731.017606	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M-2H+K"	36.948606
"466522"	1078.052106	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M-2H+K"	36.948606
"835575"	383.983106	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-2H+K"	36.948606
"1560156"	383.983106	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+K-2H"	36.948606
"956432"	392.032694	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-H+HCOOH"	44.998194
"376717"	739.067201	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+HCOOH-H"	44.998201
"360961"	753.082851	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+Hac-H"	59.013851
"1508217"	406.048351	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Hac-H"	59.013851
"973692"	414.014651	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-H+NaCOOH"	66.980151
"124866"	382.003902	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+2Cl"	69.938804
"563370"	555.521152	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+2Cl"	69.938804
"1036060"	208.486652	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2Cl"	69.938804
"1252111"	425.953385	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Br"	78.918885
"1304719"	428.009372	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Cl+HCOOH"	80.974872
"1321485"	449.991329	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Cl+NaCOOH"	102.956829
"912908"	460.020086	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M-H+CF3COOH"	112.985586
"1289615"	495.996764	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Cl+CF3COOH"	148.962264
"1367247"	312.021824	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H-2H2O"	-35.012676
"1383038"	330.0318	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H-H2O"	-17.0027
"283498"	695.076276	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+H"	1.007276
"677012"	1042.110776	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+H"	1.007276
"1361754"	348.041776	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H"	1.007276
"130275"	348.041776	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+2H"	2.014552
"568741"	521.559026	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+2H"	2.014552
"1044103"	174.524526	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2H"	2.014552
"214558"	232.363609333333	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+3H"	3.021828
"655939"	348.041776	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+3H"	3.021828
"1171876"	116.685442666667	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+3H"	3.021828
"438801"	712.102823	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+NH4"	18.033823
"795783"	1059.137323	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+NH4"	18.033823
"1692476"	365.068323	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+NH4"	18.033823
"338566"	356.5550495	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+H+NH4"	19.041099
"732084"	530.0722995	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+H+NH4"	19.041099
"1484815"	183.0377995	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H+NH4"	19.041099
"396203"	717.058218	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+Na"	22.989218
"756104"	1064.092718	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+Na"	22.989218
"1606026"	370.023718	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Na"	22.989218
"321531"	359.032747	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+H+Na"	23.996494
"711763"	532.549997	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+H+Na"	23.996494
"1465585"	185.515497	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H+Na"	23.996494
"1056279"	124.012756666667	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2H+Na"	25.00377
"1257262"	380.067986	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+CH3OH+H"	33.033486
"377249"	733.032158	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+K"	38.963158
"738863"	1080.066658	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+K"	38.963158
"1540308"	385.997658	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+K"	38.963158
"298573"	367.019717	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+H+K"	39.970434
"691441"	540.536967	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+H+K"	39.970434
"1445910"	193.502467	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H+K"	39.970434
"235971"	736.102826	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+ACN+H"	42.033826
"1210217"	389.068326	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+ACN+H"	42.033826
"1194751"	195.037801	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+ACN+2H"	43.041102
"192371"	739.04016	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+2Na-H"	44.97116
"632296"	1086.07466	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+2Na-H"	44.97116
"1142002"	392.00566	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2Na-H"	44.97116
"179825"	370.023718	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+2Na"	45.978436
"620478"	543.540968	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+2Na"	45.978436
"1121796"	196.506468	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2Na"	45.978436
"1405320"	131.340070666667	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H+2Na"	46.985712
"1439622"	394.047246	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H+HCOOH"	47.012746
"227130"	375.05674	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+3H2O+2H"	56.04448
"1513006"	408.09929	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+IsoProp+H"	61.06479
"412690"	378.010688	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+Na+K"	61.952376
"773691"	551.527938	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+Na+K"	61.952376
"1667835"	204.493438	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Na+K"	61.952376
"254352"	758.084768	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+ACN+Na"	64.015768
"1227425"	411.050268	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+ACN+Na"	64.015768
"1712863"	411.073793	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+NH4+HCOOH"	64.039293
"1179115"	138.667384666667	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+3Na"	68.967654
"1659957"	416.029188	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Na+HCOOH"	68.994688
"169005"	770.98804	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+2K-H"	76.91904
"609660"	1118.02254	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+2K-H"	76.91904
"1090890"	423.95354	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2K-H"	76.91904
"150987"	385.997658	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"2M+2K"	77.926316
"587266"	559.514908	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"3M+2K"	77.926316
"1081622"	212.480408	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2K"	77.926316
"1109363"	425.968092	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2K+H"	78.933592
"1349028"	426.055707	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+DMSO+H"	79.021207
"1016464"	430.094876	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2ACN+H"	83.060376
"1533495"	431.088508	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+IsoProp+Na+H"	84.054008
"998847"	215.551076	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+2ACN+2H"	84.067652
"1595539"	432.003128	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+K+HCOOH"	84.968628
"1424480"	462.034638	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+H+CF3COOH"	115.000138
"1158050"	236.064351	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+3ACN+2H"	125.094202
"1708695"	479.061185	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+NH4+CF3COOH"	132.026685
"1636691"	484.01658	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+Na+CF3COOH"	136.98208
"1574530"	499.99052	"C08413"	"Glucolepidiin;Ethyl glucosinolate"	"C9H17NO9S2"	"347.0345"	"M+K+CF3COOH"	152.95602
"811456"	439.0607	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M"	0
"980616"	420.04231	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-H2O-H"	-19.01839
"65576"	291.699857333333	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M-3H"	-3.021828
"504287"	438.053424	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M-3H"	-3.021828
"888409"	145.346290666667	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-3H"	-3.021828
"3703"	438.053424	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M-2H"	-2.014552
"449825"	657.583774	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M-2H"	-2.014552
"822163"	218.523074	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-2H"	-2.014552
"87620"	877.114124	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M-H"	-1.007276
"524993"	1316.174824	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M-H"	-1.007276
"903887"	438.053424	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-H"	-1.007276
"58261"	894.140671	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M-2H+NH4"	16.019271
"495635"	1333.201371	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M-2H+NH4"	16.019271
"874530"	455.079971	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-2H+NH4"	16.019271
"38056"	899.096066	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M-2H+Na"	20.974666
"478721"	1338.156766	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M-2H+Na"	20.974666
"853240"	460.035366	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-2H+Na"	20.974666
"1627150"	460.035366	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Na-2H"	20.974666
"99306"	456.041763	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M-H+Cl"	33.962126
"537773"	675.572113	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M-H+Cl"	33.962126
"931288"	236.511413	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-H+Cl"	33.962126
"272033"	913.090802	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+Cl"	34.969402
"665549"	1352.151502	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+Cl"	34.969402
"1276856"	474.030102	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Cl"	34.969402
"22696"	915.070006	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M-2H+K"	36.948606
"458973"	1354.130706	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M-2H+K"	36.948606
"834223"	476.009306	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-2H+K"	36.948606
"1555629"	476.009306	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+K-2H"	36.948606
"957803"	484.058894	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-H+HCOOH"	44.998194
"376670"	923.119601	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+HCOOH-H"	44.998201
"360461"	937.135251	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+Hac-H"	59.013851
"1507966"	498.074551	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Hac-H"	59.013851
"973199"	506.040851	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-H+NaCOOH"	66.980151
"125570"	474.030102	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+2Cl"	69.938804
"565552"	693.560452	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+2Cl"	69.938804
"1036992"	254.499752	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2Cl"	69.938804
"1255867"	517.979585	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Br"	78.918885
"1304464"	520.035572	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Cl+HCOOH"	80.974872
"1322325"	542.017529	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Cl+NaCOOH"	102.956829
"917757"	552.046286	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M-H+CF3COOH"	112.985586
"1290454"	588.022964	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Cl+CF3COOH"	148.962264
"1367519"	404.048024	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H-2H2O"	-35.012676
"1382781"	422.058	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H-H2O"	-17.0027
"282926"	879.128676	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+H"	1.007276
"676029"	1318.189376	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+H"	1.007276
"1362958"	440.067976	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H"	1.007276
"132568"	440.067976	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+2H"	2.014552
"569944"	659.598326	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+2H"	2.014552
"1049318"	220.537626	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2H"	2.014552
"214668"	293.714409333333	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+3H"	3.021828
"656413"	440.067976	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+3H"	3.021828
"1171986"	147.360842666667	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+3H"	3.021828
"434166"	896.155223	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+NH4"	18.033823
"796257"	1335.215923	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+NH4"	18.033823
"1689306"	457.094523	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+NH4"	18.033823
"338676"	448.5812495	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+H+NH4"	19.041099
"727091"	668.1115995	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+H+NH4"	19.041099
"1483832"	229.0508995	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H+NH4"	19.041099
"394127"	901.110618	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+Na"	22.989218
"755120"	1340.171318	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+Na"	22.989218
"1603704"	462.049918	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Na"	22.989218
"321640"	451.058947	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+H+Na"	23.996494
"708958"	670.589297	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+H+Na"	23.996494
"1466059"	231.528597	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H+Na"	23.996494
"1058211"	154.688156666667	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2H+Na"	25.00377
"1257572"	472.094186	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+CH3OH+H"	33.033486
"378454"	917.084558	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+K"	38.963158
"747846"	1356.145258	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+K"	38.963158
"1542971"	478.023858	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+K"	38.963158
"300268"	459.045917	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+H+K"	39.970434
"692566"	678.576267	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+H+K"	39.970434
"1446020"	239.515567	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H+K"	39.970434
"236121"	920.155226	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+ACN+H"	42.033826
"1210042"	481.094526	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+ACN+H"	42.033826
"1196322"	241.050901	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+ACN+2H"	43.041102
"192845"	923.09256	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+2Na-H"	44.97116
"631677"	1362.15326	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+2Na-H"	44.97116
"1143205"	484.03186	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2Na-H"	44.97116
"177749"	462.049918	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+2Na"	45.978436
"618402"	681.580268	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+2Na"	45.978436
"1125187"	242.519568	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2Na"	45.978436
"1402150"	162.015470666667	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H+2Na"	46.985712
"1439732"	486.073446	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H+HCOOH"	47.012746
"225053"	467.08294	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+3H2O+2H"	56.04448
"1510562"	500.12549	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+IsoProp+H"	61.06479
"410612"	470.036888	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+Na+K"	61.952376
"774894"	689.567238	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+Na+K"	61.952376
"1666853"	250.506538	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Na+K"	61.952376
"251910"	942.137168	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+ACN+Na"	64.015768
"1226076"	503.076468	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+ACN+Na"	64.015768
"1713140"	503.099993	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+NH4+HCOOH"	64.039293
"1178899"	169.342784666667	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+3Na"	68.967654
"1664445"	508.055388	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Na+HCOOH"	68.994688
"171301"	955.04044	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+2K-H"	76.91904
"612329"	1394.10114	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+2K-H"	76.91904
"1098659"	515.97974	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2K-H"	76.91904
"154379"	478.023858	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"2M+2K"	77.926316
"587376"	697.554208	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"3M+2K"	77.926316
"1083192"	258.493508	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2K"	77.926316
"1111660"	517.994292	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2K+H"	78.933592
"1350724"	518.081907	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+DMSO+H"	79.021207
"1016574"	522.121076	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2ACN+H"	83.060376
"1535793"	523.114708	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+IsoProp+Na+H"	84.054008
"997866"	261.564176	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+2ACN+2H"	84.067652
"1593463"	524.029328	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+K+HCOOH"	84.968628
"1427873"	554.060838	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+H+CF3COOH"	115.000138
"1154880"	282.077451	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+3ACN+2H"	125.094202
"1705524"	571.087385	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+NH4+CF3COOH"	132.026685
"1637894"	576.04278	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+Na+CF3COOH"	136.98208
"1574640"	592.01672	"C08414"	"Glucolimnanthin"	"C15H21NO10S2"	"439.0607"	"M+K+CF3COOH"	152.95602
"811566"	373.0501	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M"	0
"981819"	354.03171	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-H2O-H"	-19.01839
"65686"	247.692790666667	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M-3H"	-3.021828
"505248"	372.042824	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M-3H"	-3.021828
"884144"	123.342757333333	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-3H"	-3.021828
"4906"	372.042824	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M-2H"	-2.014552
"448842"	558.567874	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M-2H"	-2.014552
"824456"	185.517774	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-2H"	-2.014552
"88824"	745.092924	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M-H"	-1.007276
"528383"	1118.143024	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M-H"	-1.007276
"906184"	372.042824	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-H"	-1.007276
"56184"	762.119471	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M-2H+NH4"	16.019271
"494651"	1135.169571	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M-2H+NH4"	16.019271
"873547"	389.069371	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-2H+NH4"	16.019271
"38166"	767.074866	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M-2H+Na"	20.974666
"481017"	1140.124966	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M-2H+Na"	20.974666
"853715"	394.024766	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-2H+Na"	20.974666
"1627260"	394.024766	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Na-2H"	20.974666
"100510"	390.031163	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M-H+Cl"	33.962126
"538978"	576.556213	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M-H+Cl"	33.962126
"933585"	203.506113	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-H+Cl"	33.962126
"273236"	781.069602	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+Cl"	34.969402
"665659"	1154.119702	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+Cl"	34.969402
"1279153"	408.019502	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Cl"	34.969402
"20619"	783.048806	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M-2H+K"	36.948606
"459082"	1156.098906	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M-2H+K"	36.948606
"834818"	409.998706	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-2H+K"	36.948606
"1556119"	409.998706	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+K-2H"	36.948606
"957994"	418.048294	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-H+HCOOH"	44.998194
"377014"	791.098401	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+HCOOH-H"	44.998201
"361365"	805.114051	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+Hac-H"	59.013851
"1508281"	432.063951	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Hac-H"	59.013851
"974120"	440.030251	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-H+NaCOOH"	66.980151
"125634"	408.019502	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+2Cl"	69.938804
"565543"	594.544552	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+2Cl"	69.938804
"1036999"	221.494452	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2Cl"	69.938804
"1255979"	451.968985	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Br"	78.918885
"1305667"	454.024972	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Cl+HCOOH"	80.974872
"1328995"	476.006929	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Cl+NaCOOH"	102.956829
"921147"	486.035686	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M-H+CF3COOH"	112.985586
"1290565"	522.012364	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Cl+CF3COOH"	148.962264
"1369453"	338.037424	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H-2H2O"	-35.012676
"1383789"	356.0474	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H-H2O"	-17.0027
"284812"	747.107476	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+H"	1.007276
"676259"	1120.157576	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+H"	1.007276
"1361974"	374.057376	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H"	1.007276
"129765"	374.057376	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+2H"	2.014552
"575890"	560.582426	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+2H"	2.014552
"1049430"	187.532326	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2H"	2.014552
"214412"	249.707342666667	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+3H"	3.021828
"652878"	374.057376	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+3H"	3.021828
"1172096"	125.357309333333	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+3H"	3.021828
"434276"	764.134023	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+NH4"	18.033823
"796364"	1137.184123	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+NH4"	18.033823
"1686495"	391.083923	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+NH4"	18.033823
"335864"	382.5706495	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+H+NH4"	19.041099
"732302"	569.0956995	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+H+NH4"	19.041099
"1485035"	196.0455995	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H+NH4"	19.041099
"400432"	769.089418	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+Na"	22.989218
"756691"	1142.139518	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+Na"	22.989218
"1608434"	396.039318	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Na"	22.989218
"318835"	385.048347	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+H+Na"	23.996494
"709799"	571.573397	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+H+Na"	23.996494
"1467993"	198.523297	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H+Na"	23.996494
"1061237"	132.684623333333	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2H+Na"	25.00377
"1258542"	406.083586	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+CH3OH+H"	33.033486
"382586"	785.063358	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+K"	38.963158
"745770"	1158.113458	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+K"	38.963158
"1545634"	412.013258	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+K"	38.963158
"302811"	393.035317	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+H+K"	39.970434
"694137"	579.560367	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+H+K"	39.970434
"1446372"	206.510267	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H+K"	39.970434
"236316"	788.134026	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+ACN+H"	42.033826
"1211458"	415.083926	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+ACN+H"	42.033826
"1195093"	208.045601	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+ACN+2H"	43.041102
"198059"	791.07136	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+2Na-H"	44.97116
"632152"	1164.12146	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+2Na-H"	44.97116
"1144410"	418.02126	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2Na-H"	44.97116
"174579"	396.039318	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+2Na"	45.978436
"615233"	582.564368	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+2Na"	45.978436
"1118738"	209.514268	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2Na"	45.978436
"1400074"	140.011937333333	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H+2Na"	46.985712
"1431215"	420.062846	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H+HCOOH"	47.012746
"222979"	401.07234	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+3H2O+2H"	56.04448
"1511767"	434.11489	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+IsoProp+H"	61.06479
"410724"	404.026288	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+Na+K"	61.952376
"775004"	590.551338	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+Na+K"	61.952376
"1668422"	217.501238	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Na+K"	61.952376
"253841"	810.115968	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+ACN+Na"	64.015768
"1226916"	437.065868	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+ACN+Na"	64.015768
"1715073"	437.089393	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+NH4+HCOOH"	64.039293
"1180066"	147.339251333333	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+3Na"	68.967654
"1664432"	442.044788	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Na+HCOOH"	68.994688
"168131"	823.01924	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+2K-H"	76.91904
"610978"	1196.06934	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+2K-H"	76.91904
"1097673"	449.96914	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2K-H"	76.91904
"154488"	412.013258	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"2M+2K"	77.926316
"592953"	598.538308	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"3M+2K"	77.926316
"1082814"	225.488208	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2K"	77.926316
"1114811"	451.983692	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2K+H"	78.933592
"1350591"	452.071307	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+DMSO+H"	79.021207
"1020577"	456.110476	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2ACN+H"	83.060376
"1538821"	457.104108	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+IsoProp+Na+H"	84.054008
"1004543"	228.558876	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+2ACN+2H"	84.067652
"1600136"	458.018728	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+K+HCOOH"	84.968628
"1426888"	488.050238	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+H+CF3COOH"	115.000138
"1156083"	249.072151	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+3ACN+2H"	125.094202
"1703447"	505.076785	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+NH4+CF3COOH"	132.026685
"1638004"	510.03218	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+Na+CF3COOH"	136.98208
"1574750"	526.00612	"C08415"	"Gluconapin;3-Butenylglucosinolate"	"C11H19NO9S2"	"373.0501"	"M+K+CF3COOH"	152.95602
"811676"	403.0607	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M"	0
"979742"	384.04231	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-H2O-H"	-19.01839
"64700"	267.699857333333	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M-3H"	-3.021828
"504137"	402.053424	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M-3H"	-3.021828
"883885"	133.346290666667	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-3H"	-3.021828
"3923"	402.053424	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M-2H"	-2.014552
"446765"	603.583774	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M-2H"	-2.014552
"821286"	200.523074	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-2H"	-2.014552
"86745"	805.114124	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M-H"	-1.007276
"528493"	1208.174824	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M-H"	-1.007276
"904108"	402.053424	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-H"	-1.007276
"56295"	822.140671	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M-2H+NH4"	16.019271
"493666"	1225.201371	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M-2H+NH4"	16.019271
"869281"	419.079971	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-2H+NH4"	16.019271
"38276"	827.096066	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M-2H+Na"	20.974666
"473585"	1230.156766	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M-2H+Na"	20.974666
"849684"	424.035366	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-2H+Na"	20.974666
"1620437"	424.035366	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Na-2H"	20.974666
"101713"	420.041763	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M-H+Cl"	33.962126
"541274"	621.572113	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M-H+Cl"	33.962126
"935881"	218.511413	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-H+Cl"	33.962126
"277718"	841.090802	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+Cl"	34.969402
"669048"	1244.151502	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+Cl"	34.969402
"1281449"	438.030102	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Cl"	34.969402
"22915"	843.070006	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M-2H+K"	36.948606
"459192"	1246.130706	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M-2H+K"	36.948606
"835536"	440.009306	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-2H+K"	36.948606
"1557201"	440.009306	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+K-2H"	36.948606
"958147"	448.058894	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-H+HCOOH"	44.998194
"376770"	851.119601	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+HCOOH-H"	44.998201
"361046"	865.135251	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+Hac-H"	59.013851
"1507987"	462.074551	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Hac-H"	59.013851
"973057"	470.040851	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-H+NaCOOH"	66.980151
"125605"	438.030102	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+2Cl"	69.938804
"564316"	639.560452	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+2Cl"	69.938804
"1036718"	236.499752	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2Cl"	69.938804
"1256615"	481.979585	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Br"	78.918885
"1305776"	484.035572	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Cl+HCOOH"	80.974872
"1329105"	506.017529	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Cl+NaCOOH"	102.956829
"915790"	516.046286	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M-H+CF3COOH"	112.985586
"1289943"	552.022964	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Cl+CF3COOH"	148.962264
"1369197"	368.048024	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H-2H2O"	-35.012676
"1383045"	386.058	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H-H2O"	-17.0027
"284922"	807.128676	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+H"	1.007276
"676489"	1210.189376	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+H"	1.007276
"1362084"	404.067976	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H"	1.007276
"132789"	404.067976	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+2H"	2.014552
"577093"	605.598326	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+2H"	2.014552
"1048446"	202.537626	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2H"	2.014552
"214522"	269.714409333333	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+3H"	3.021828
"649708"	404.067976	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+3H"	3.021828
"1171112"	135.360842666667	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+3H"	3.021828
"432199"	824.155223	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+NH4"	18.033823
"796474"	1227.215923	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+NH4"	18.033823
"1686241"	421.094523	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+NH4"	18.033823
"333425"	412.5812495	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+H+NH4"	19.041099
"731319"	614.1115995	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+H+NH4"	19.041099
"1482957"	211.0508995	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H+NH4"	19.041099
"399448"	829.110618	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+Na"	22.989218
"756071"	1232.171318	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+Na"	22.989218
"1605382"	426.049918	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Na"	22.989218
"319673"	415.058947	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+H+Na"	23.996494
"713187"	616.589297	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+H+Na"	23.996494
"1462512"	213.528597	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H+Na"	23.996494
"1053202"	142.688156666667	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2H+Na"	25.00377
"1258164"	436.094186	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+CH3OH+H"	33.033486
"382696"	845.084558	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+K"	38.963158
"744787"	1248.145258	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+K"	38.963158
"1543192"	442.023858	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+K"	38.963158
"301463"	423.045917	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+H+K"	39.970434
"693883"	624.576267	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+H+K"	39.970434
"1445874"	221.515567	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H+K"	39.970434
"236304"	848.155226	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+ACN+H"	42.033826
"1212296"	445.094526	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+ACN+H"	42.033826
"1196905"	223.050901	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+ACN+2H"	43.041102
"193795"	851.09256	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+2Na-H"	44.97116
"633355"	1254.15326	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+2Na-H"	44.97116
"1144519"	448.03186	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2Na-H"	44.97116
"177969"	426.049918	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+2Na"	45.978436
"617530"	627.580268	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+2Na"	45.978436
"1118848"	224.519568	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2Na"	45.978436
"1400548"	150.015470666667	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H+2Na"	46.985712
"1432298"	450.073446	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H+HCOOH"	47.012746
"223089"	431.08294	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+3H2O+2H"	56.04448
"1510783"	464.12549	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+IsoProp+H"	61.06479
"410833"	434.036888	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+Na+K"	61.952376
"775114"	635.567238	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+Na+K"	61.952376
"1667438"	232.506538	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Na+K"	61.952376
"252615"	870.137168	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+ACN+Na"	64.015768
"1227753"	467.076468	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+ACN+Na"	64.015768
"1714939"	467.099993	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+NH4+HCOOH"	64.039293
"1179569"	157.342784666667	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+3Na"	68.967654
"1665395"	472.055388	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Na+HCOOH"	68.994688
"169334"	883.04044	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+2K-H"	76.91904
"612062"	1286.10114	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+2K-H"	76.91904
"1098028"	479.97974	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2K-H"	76.91904
"154597"	442.023858	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"2M+2K"	77.926316
"594156"	643.554208	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"3M+2K"	77.926316
"1081950"	240.493508	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2K"	77.926316
"1114801"	481.994292	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2K+H"	78.933592
"1350825"	482.081907	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+DMSO+H"	79.021207
"1020972"	486.121076	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2ACN+H"	83.060376
"1532732"	487.114708	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+IsoProp+Na+H"	84.054008
"1004406"	243.564176	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+2ACN+2H"	84.067652
"1600246"	488.029328	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+K+HCOOH"	84.968628
"1425903"	518.060838	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+H+CF3COOH"	115.000138
"1155099"	264.077451	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+3ACN+2H"	125.094202
"1702463"	535.087385	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+NH4+CF3COOH"	132.026685
"1639207"	540.04278	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+Na+CF3COOH"	136.98208
"1574860"	556.01672	"C08416"	"Gluconapoleiferin;2-Hydroxy-4-pentenyl glucosinolate"	"C12H21NO10S2"	"403.0607"	"M+K+CF3COOH"	152.95602
"811786"	423.0658	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M"	0
"977665"	404.04741	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-H2O-H"	-19.01839
"62878"	281.036590666667	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M-3H"	-3.021828
"502823"	422.058524	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M-3H"	-3.021828
"880593"	140.014657333333	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-3H"	-3.021828
"4033"	422.058524	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M-2H"	-2.014552
"446875"	633.591424	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M-2H"	-2.014552
"821396"	210.525624	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-2H"	-2.014552
"89043"	845.124324	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M-H"	-1.007276
"525323"	1268.190124	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M-H"	-1.007276
"904219"	422.058524	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-H"	-1.007276
"57499"	862.150871	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M-2H+NH4"	16.019271
"491590"	1285.216671	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M-2H+NH4"	16.019271
"868299"	439.085071	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-2H+NH4"	16.019271
"37293"	867.106266	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M-2H+Na"	20.974666
"472481"	1290.172066	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M-2H+Na"	20.974666
"848818"	444.040466	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-2H+Na"	20.974666
"1619008"	444.040466	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Na-2H"	20.974666
"102916"	440.046863	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M-H+Cl"	33.962126
"542478"	651.579763	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M-H+Cl"	33.962126
"939272"	228.513963	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-H+Cl"	33.962126
"277828"	881.101002	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+Cl"	34.969402
"669160"	1304.166802	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+Cl"	34.969402
"1279373"	458.035202	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Cl"	34.969402
"21931"	883.080206	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M-2H+K"	36.948606
"458209"	1306.146006	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M-2H+K"	36.948606
"834431"	460.014406	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-2H+K"	36.948606
"1557188"	460.014406	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+K-2H"	36.948606
"951761"	468.063994	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-H+HCOOH"	44.998194
"373257"	891.129801	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+HCOOH-H"	44.998201
"357141"	905.145451	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+Hac-H"	59.013851
"1507071"	482.079651	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Hac-H"	59.013851
"974179"	490.045951	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-H+NaCOOH"	66.980151
"123883"	458.035202	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+2Cl"	69.938804
"565520"	669.568102	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+2Cl"	69.938804
"1036872"	246.502302	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2Cl"	69.938804
"1256923"	501.984685	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Br"	78.918885
"1307345"	504.040672	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Cl+HCOOH"	80.974872
"1328122"	526.022629	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Cl+NaCOOH"	102.956829
"915900"	536.051386	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M-H+CF3COOH"	112.985586
"1288960"	572.028064	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Cl+CF3COOH"	148.962264
"1367608"	388.053124	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H-2H2O"	-35.012676
"1382907"	406.0631	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H-H2O"	-17.0027
"284668"	847.138876	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+H"	1.007276
"675688"	1270.204676	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+H"	1.007276
"1356726"	424.073076	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H"	1.007276
"133991"	424.073076	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+2H"	2.014552
"578298"	635.605976	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+2H"	2.014552
"1048554"	212.540176	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2H"	2.014552
"212445"	283.051142666667	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+3H"	3.021828
"653098"	424.073076	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+3H"	3.021828
"1167942"	142.029209333333	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+3H"	3.021828
"434496"	864.165423	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+NH4"	18.033823
"796584"	1287.231223	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+NH4"	18.033823
"1685258"	441.099623	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+NH4"	18.033823
"332442"	432.5863495	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+H+NH4"	19.041099
"723403"	644.1192495	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+H+NH4"	19.041099
"1477587"	221.0534495	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H+NH4"	19.041099
"396278"	869.120818	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+Na"	22.989218
"755450"	1292.186618	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+Na"	22.989218
"1603790"	446.055018	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Na"	22.989218
"317596"	435.064047	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+H+Na"	23.996494
"708070"	646.596947	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+H+Na"	23.996494
"1463474"	223.531147	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H+Na"	23.996494
"1052801"	149.356523333333	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2H+Na"	25.00377
"1257789"	456.099286	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+CH3OH+H"	33.033486
"384995"	885.094758	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+K"	38.963158
"742711"	1308.160558	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+K"	38.963158
"1541847"	462.028958	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+K"	38.963158
"305221"	443.051017	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+H+K"	39.970434
"692535"	654.583917	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+H+K"	39.970434
"1446354"	231.518117	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H+K"	39.970434
"238240"	888.165426	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+ACN+H"	42.033826
"1212771"	465.099626	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+ACN+H"	42.033826
"1195925"	233.053451	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+ACN+2H"	43.041102
"191719"	891.10276	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+2Na-H"	44.97116
"632372"	1314.16856	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+2Na-H"	44.97116
"1143537"	468.03696	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2Na-H"	44.97116
"178079"	446.055018	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+2Na"	45.978436
"619826"	657.587918	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+2Na"	45.978436
"1118957"	234.522118	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2Na"	45.978436
"1402482"	156.683837333333	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H+2Na"	46.985712
"1433503"	470.078546	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H+HCOOH"	47.012746
"222105"	451.08804	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+3H2O+2H"	56.04448
"1509800"	484.13059	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+IsoProp+H"	61.06479
"410579"	454.041988	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+Na+K"	61.952376
"775224"	665.574888	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+Na+K"	61.952376
"1666575"	242.509088	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Na+K"	61.952376
"252609"	910.147368	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+ACN+Na"	64.015768
"1226531"	487.081568	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+ACN+Na"	64.015768
"1714200"	487.105093	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+NH4+HCOOH"	64.039293
"1179194"	164.011151333333	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+3Na"	68.967654
"1665347"	492.060488	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Na+HCOOH"	68.994688
"171999"	923.05064	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+2K-H"	76.91904
"611317"	1346.11644	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+2K-H"	76.91904
"1096798"	499.98484	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2K-H"	76.91904
"152520"	462.028958	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"2M+2K"	77.926316
"595240"	673.561858	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"3M+2K"	77.926316
"1083400"	250.496058	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2K"	77.926316
"1115355"	501.999392	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2K+H"	78.933592
"1351140"	502.087007	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+DMSO+H"	79.021207
"1021207"	506.126176	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2ACN+H"	83.060376
"1532842"	507.119808	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+IsoProp+Na+H"	84.054008
"1004758"	253.566726	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+2ACN+2H"	84.067652
"1600356"	508.034428	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+K+HCOOH"	84.968628
"1426013"	538.065938	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+H+CF3COOH"	115.000138
"1154116"	274.080001	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+3ACN+2H"	125.094202
"1702573"	555.092485	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+NH4+CF3COOH"	132.026685
"1639317"	560.04788	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+Na+CF3COOH"	136.98208
"1574970"	576.02182	"C08417"	"Gluconasturtiin;2-Phenylethyl glucosinolate"	"C15H21NO9S2"	"423.0658"	"M+K+CF3COOH"	152.95602
"811896"	361.0501	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M"	0
"977775"	342.03171	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-H2O-H"	-19.01839
"63463"	239.692790666667	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M-3H"	-3.021828
"503750"	360.042824	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M-3H"	-3.021828
"882282"	119.342757333333	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-3H"	-3.021828
"4143"	360.042824	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M-2H"	-2.014552
"442969"	540.567874	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M-2H"	-2.014552
"819316"	179.517774	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-2H"	-2.014552
"86964"	721.092924	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M-H"	-1.007276
"528713"	1082.143024	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M-H"	-1.007276
"905420"	360.042824	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-H"	-1.007276
"52141"	738.119471	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M-2H+NH4"	16.019271
"492426"	1099.169571	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M-2H+NH4"	16.019271
"868042"	377.069371	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-2H+NH4"	16.019271
"37036"	743.074866	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M-2H+Na"	20.974666
"473685"	1104.124966	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M-2H+Na"	20.974666
"850395"	382.024766	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-2H+Na"	20.974666
"1621752"	382.024766	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Na-2H"	20.974666
"98654"	378.031163	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M-H+Cl"	33.962126
"542588"	558.556213	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M-H+Cl"	33.962126
"937196"	197.506113	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-H+Cl"	33.962126
"275752"	757.069602	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+Cl"	34.969402
"669270"	1118.119702	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+Cl"	34.969402
"1277297"	396.019502	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Cl"	34.969402
"19855"	759.048806	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M-2H+K"	36.948606
"458321"	1120.098906	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M-2H+K"	36.948606
"835029"	397.998706	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-2H+K"	36.948606
"1556450"	397.998706	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+K-2H"	36.948606
"951871"	406.048294	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-H+HCOOH"	44.998194
"372274"	767.098401	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+HCOOH-H"	44.998201
"355063"	781.114051	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+Hac-H"	59.013851
"1507060"	420.063951	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Hac-H"	59.013851
"973984"	428.030251	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-H+NaCOOH"	66.980151
"123993"	396.019502	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+2Cl"	69.938804
"565503"	576.544552	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+2Cl"	69.938804
"1036608"	215.494452	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2Cl"	69.938804
"1256672"	439.968985	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Br"	78.918885
"1306362"	442.024972	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Cl+HCOOH"	80.974872
"1324952"	464.006929	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Cl+NaCOOH"	102.956829
"913823"	474.035686	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M-H+CF3COOH"	112.985586
"1288704"	510.012364	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Cl+CF3COOH"	148.962264
"1369784"	326.037424	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H-2H2O"	-35.012676
"1383998"	344.0474	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H-H2O"	-17.0027
"284778"	723.107476	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+H"	1.007276
"676341"	1084.157576	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+H"	1.007276
"1355743"	362.057376	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H"	1.007276
"131914"	362.057376	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+2H"	2.014552
"577679"	542.582426	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+2H"	2.014552
"1047571"	181.532326	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2H"	2.014552
"215835"	241.707342666667	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+3H"	3.021828
"653208"	362.057376	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+3H"	3.021828
"1168052"	121.357309333333	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+3H"	3.021828
"432420"	740.134023	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+NH4"	18.033823
"795601"	1101.184123	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+NH4"	18.033823
"1684275"	379.083923	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+NH4"	18.033823
"331459"	370.5706495	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+H+NH4"	19.041099
"724607"	551.0956995	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+H+NH4"	19.041099
"1478060"	190.0455995	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H+NH4"	19.041099
"395295"	745.089418	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+Na"	22.989218
"755197"	1106.139518	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+Na"	22.989218
"1604022"	384.039318	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Na"	22.989218
"315641"	373.048347	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+H+Na"	23.996494
"707493"	553.573397	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+H+Na"	23.996494
"1461637"	192.523297	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H+Na"	23.996494
"1052776"	128.684623333333	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2H+Na"	25.00377
"1257412"	394.083586	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+CH3OH+H"	33.033486
"382916"	761.063358	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+K"	38.963158
"742821"	1122.113458	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+K"	38.963158
"1541593"	400.013258	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+K"	38.963158
"300589"	381.035317	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+H+K"	39.970434
"692640"	561.560367	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+H+K"	39.970434
"1445848"	200.510267	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H+K"	39.970434
"236526"	764.134026	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+ACN+H"	42.033826
"1211178"	403.083926	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+ACN+H"	42.033826
"1196033"	202.045601	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+ACN+2H"	43.041102
"189641"	767.07136	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+2Na-H"	44.97116
"632483"	1128.12146	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+2Na-H"	44.97116
"1137086"	406.02126	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2Na-H"	44.97116
"174176"	384.039318	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+2Na"	45.978436
"613731"	564.564368	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+2Na"	45.978436
"1119066"	203.514268	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2Na"	45.978436
"1399431"	136.011937333333	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H+2Na"	46.985712
"1430045"	408.062846	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H+HCOOH"	47.012746
"219985"	389.07234	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+3H2O+2H"	56.04448
"1508815"	422.11489	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+IsoProp+H"	61.06479
"408814"	392.026288	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+Na+K"	61.952376
"769981"	572.551338	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+Na+K"	61.952376
"1665776"	211.501238	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Na+K"	61.952376
"251579"	786.115968	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+ACN+Na"	64.015768
"1225788"	425.065868	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+ACN+Na"	64.015768
"1712850"	425.089393	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+NH4+HCOOH"	64.039293
"1179298"	143.339251333333	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+3Na"	68.967654
"1658314"	430.044788	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Na+HCOOH"	68.994688
"171621"	799.01924	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+2K-H"	76.91904
"611911"	1160.06934	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+2K-H"	76.91904
"1096908"	437.96914	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2K-H"	76.91904
"153722"	400.013258	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"2M+2K"	77.926316
"592189"	580.538308	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"3M+2K"	77.926316
"1079984"	219.488208	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2K"	77.926316
"1115017"	439.983692	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2K+H"	78.933592
"1351125"	440.071307	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+DMSO+H"	79.021207
"1020295"	444.110476	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2ACN+H"	83.060376
"1539030"	445.104108	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+IsoProp+Na+H"	84.054008
"1005443"	222.558876	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+2ACN+2H"	84.067652
"1600466"	446.018728	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+K+HCOOH"	84.968628
"1423938"	476.050238	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+H+CF3COOH"	115.000138
"1155318"	243.072151	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+3ACN+2H"	125.094202
"1700496"	493.076785	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+NH4+CF3COOH"	132.026685
"1634688"	498.03218	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+Na+CF3COOH"	136.98208
"1572892"	514.00612	"C08418"	"Glucoputranjivin;1-Methylethyl glucosinolate"	"C10H19NO9S2"	"361.0501"	"M+K+CF3COOH"	152.95602
"810914"	437.0484	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M"	0
"974605"	418.03001	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-H2O-H"	-19.01839
"63410"	290.358324	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M-3H"	-3.021828
"503414"	436.041124	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M-3H"	-3.021828
"883486"	144.675524	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-3H"	-3.021828
"4253"	436.041124	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M-2H"	-2.014552
"442720"	654.565324	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M-2H"	-2.014552
"819428"	217.516924	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-2H"	-2.014552
"87074"	873.089524	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M-H"	-1.007276
"526636"	1310.137924	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M-H"	-1.007276
"904438"	436.041124	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-H"	-1.007276
"55531"	890.116071	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M-2H+NH4"	16.019271
"491809"	1327.164471	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M-2H+NH4"	16.019271
"869974"	453.067671	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-2H+NH4"	16.019271
"37876"	895.071466	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M-2H+Na"	20.974666
"474161"	1332.119866	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M-2H+Na"	20.974666
"850505"	458.023066	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-2H+Na"	20.974666
"1620402"	458.023066	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Na-2H"	20.974666
"97669"	454.029463	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M-H+Cl"	33.962126
"536135"	672.553663	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M-H+Cl"	33.962126
"929651"	235.505263	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-H+Cl"	33.962126
"269301"	909.066202	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+Cl"	34.969402
"660745"	1346.114602	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+Cl"	34.969402
"1275218"	472.017802	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Cl"	34.969402
"18868"	911.045406	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M-2H+K"	36.948606
"455911"	1348.093806	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M-2H+K"	36.948606
"835139"	473.997006	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-2H+K"	36.948606
"1555705"	473.997006	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+K-2H"	36.948606
"950887"	482.046594	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-H+HCOOH"	44.998194
"373113"	919.095001	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+HCOOH-H"	44.998201
"354079"	933.110651	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+Hac-H"	59.013851
"1507656"	496.062251	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Hac-H"	59.013851
"973868"	504.028551	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-H+NaCOOH"	66.980151
"124103"	472.017802	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+2Cl"	69.938804
"564762"	690.542002	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+2Cl"	69.938804
"1036637"	253.493602	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2Cl"	69.938804
"1256420"	515.967285	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Br"	78.918885
"1306473"	518.023272	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Cl+HCOOH"	80.974872
"1325062"	540.005229	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Cl+NaCOOH"	102.956829
"913933"	550.033986	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M-H+CF3COOH"	112.985586
"1289544"	586.010664	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Cl+CF3COOH"	148.962264
"1367943"	402.035724	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H-2H2O"	-35.012676
"1389576"	420.0457	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H-H2O"	-17.0027
"285130"	875.104076	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+H"	1.007276
"676458"	1312.152476	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+H"	1.007276
"1354760"	438.055676	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H"	1.007276
"130931"	438.055676	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+2H"	2.014552
"575965"	656.579876	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+2H"	2.014552
"1047681"	219.531476	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2H"	2.014552
"215944"	292.372876	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+3H"	3.021828
"653318"	438.055676	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+3H"	3.021828
"1167068"	146.690076	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+3H"	3.021828
"434717"	892.130623	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+NH4"	18.033823
"791336"	1329.179023	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+NH4"	18.033823
"1684385"	455.082223	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+NH4"	18.033823
"330840"	446.5689495	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+H+NH4"	19.041099
"725077"	665.0931495	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+H+NH4"	19.041099
"1478896"	228.0447495	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H+NH4"	19.041099
"397592"	897.086018	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+Na"	22.989218
"754450"	1334.134418	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+Na"	22.989218
"1602770"	460.037618	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Na"	22.989218
"314313"	449.046647	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+H+Na"	23.996494
"707190"	667.570847	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+H+Na"	23.996494
"1461659"	230.522447	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H+Na"	23.996494
"1052998"	154.01739	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2H+Na"	25.00377
"1257887"	470.081886	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+CH3OH+H"	33.033486
"383027"	913.059958	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+K"	38.963158
"741108"	1350.108358	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+K"	38.963158
"1542064"	476.011558	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+K"	38.963158
"301062"	457.033617	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+H+K"	39.970434
"691616"	675.557817	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+H+K"	39.970434
"1446206"	238.509417	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H+K"	39.970434
"236265"	916.130626	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+ACN+H"	42.033826
"1211531"	479.082226	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+ACN+H"	42.033826
"1195415"	240.044751	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+ACN+2H"	43.041102
"191571"	919.06796	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+2Na-H"	44.97116
"632957"	1356.11636	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+2Na-H"	44.97116
"1137196"	482.01956	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2Na-H"	44.97116
"178299"	460.037618	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+2Na"	45.978436
"613111"	678.561818	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+2Na"	45.978436
"1116989"	241.513418	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2Na"	45.978436
"1399294"	161.344704	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H+2Na"	46.985712
"1431528"	484.061146	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H+HCOOH"	47.012746
"220985"	465.07064	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+3H2O+2H"	56.04448
"1509284"	498.11319	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+IsoProp+H"	61.06479
"408847"	468.024588	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+Na+K"	61.952376
"771062"	686.548788	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+Na+K"	61.952376
"1665858"	249.500388	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Na+K"	61.952376
"252100"	938.112568	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+ACN+Na"	64.015768
"1225973"	501.064168	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+ACN+Na"	64.015768
"1713690"	501.087693	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+NH4+HCOOH"	64.039293
"1179773"	168.672018	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+3Na"	68.967654
"1656966"	506.043088	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Na+HCOOH"	68.994688
"163101"	951.01584	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+2K-H"	76.91904
"611778"	1388.06424	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+2K-H"	76.91904
"1093736"	513.96744	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2K-H"	76.91904
"150553"	476.011558	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"2M+2K"	77.926316
"587924"	694.535758	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"3M+2K"	77.926316
"1080094"	257.487358	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2K"	77.926316
"1113303"	515.981992	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2K+H"	78.933592
"1349688"	516.069607	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+DMSO+H"	79.021207
"1019801"	520.108776	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2ACN+H"	83.060376
"1536344"	521.102408	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+IsoProp+Na+H"	84.054008
"1004617"	260.558026	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+2ACN+2H"	84.067652
"1601552"	522.017028	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+K+HCOOH"	84.968628
"1424047"	552.048538	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+H+CF3COOH"	115.000138
"1154335"	281.071301	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+3ACN+2H"	125.094202
"1701699"	569.075085	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+NH4+CF3COOH"	132.026685
"1635892"	574.03048	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+Na+CF3COOH"	136.98208
"1572273"	590.00442	"C08419"	"Glucoraphanin;4-Methylsulfinylbutyl glucosinolate"	"C12H23NO10S3"	"437.0484"	"M+K+CF3COOH"	152.95602
"812116"	435.0328	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M"	0
"982369"	416.01441	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-H2O-H"	-19.01839
"68422"	289.014590666667	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M-3H"	-3.021828
"506890"	434.025524	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M-3H"	-3.021828
"886877"	144.003657333333	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-3H"	-3.021828
"10924"	434.025524	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M-2H"	-2.014552
"448297"	651.541924	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M-2H"	-2.014552
"826100"	216.509124	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-2H"	-2.014552
"86091"	869.058324	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M-H"	-1.007276
"528933"	1304.091124	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M-H"	-1.007276
"905640"	434.025524	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-H"	-1.007276
"61839"	886.084871	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M-2H+NH4"	16.019271
"498483"	1321.117671	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M-2H+NH4"	16.019271
"876284"	451.052071	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-2H+NH4"	16.019271
"38716"	891.040266	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M-2H+Na"	20.974666
"476455"	1326.073066	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M-2H+Na"	20.974666
"854625"	456.007466	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-2H+Na"	20.974666
"1621242"	456.007466	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Na-2H"	20.974666
"97777"	452.013863	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M-H+Cl"	33.962126
"535877"	669.530263	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M-H+Cl"	33.962126
"934135"	234.497463	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-H+Cl"	33.962126
"269411"	905.035002	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+Cl"	34.969402
"660857"	1340.067802	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+Cl"	34.969402
"1275329"	470.002202	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Cl"	34.969402
"16304"	907.014206	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M-2H+K"	36.948606
"458539"	1342.047006	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M-2H+K"	36.948606
"833425"	471.981406	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-2H+K"	36.948606
"1556306"	471.981406	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+K-2H"	36.948606
"953186"	480.030994	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-H+HCOOH"	44.998194
"372494"	915.063801	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+HCOOH-H"	44.998201
"350910"	929.079451	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+Hac-H"	59.013851
"1506679"	494.046651	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Hac-H"	59.013851
"974144"	502.012951	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-H+NaCOOH"	66.980151
"124340"	470.002202	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+2Cl"	69.938804
"563780"	687.518602	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+2Cl"	69.938804
"1035856"	252.485802	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2Cl"	69.938804
"1254711"	513.951685	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Br"	78.918885
"1309863"	516.007672	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Cl+HCOOH"	80.974872
"1325171"	537.989629	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Cl+NaCOOH"	102.956829
"915136"	548.018386	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M-H+CF3COOH"	112.985586
"1291843"	583.995064	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Cl+CF3COOH"	148.962264
"1371098"	400.020124	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H-2H2O"	-35.012676
"1392966"	418.0301	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H-H2O"	-17.0027
"287185"	871.072876	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+H"	1.007276
"680700"	1306.105676	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+H"	1.007276
"1355963"	436.040076	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H"	1.007276
"133228"	436.040076	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+2H"	2.014552
"575711"	653.556476	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+2H"	2.014552
"1046334"	218.523676	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2H"	2.014552
"216054"	291.029142666667	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+3H"	3.021828
"655615"	436.040076	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+3H"	3.021828
"1169366"	146.018209333333	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+3H"	3.021828
"435920"	888.099423	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+NH4"	18.033823
"793634"	1323.132223	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+NH4"	18.033823
"1685223"	453.066623	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+NH4"	18.033823
"333503"	444.5533495	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+H+NH4"	19.041099
"725191"	662.0697495	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+H+NH4"	19.041099
"1479377"	227.0369495	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H+NH4"	19.041099
"397702"	893.054818	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+Na"	22.989218
"756633"	1328.087618	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+Na"	22.989218
"1603267"	458.022018	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Na"	22.989218
"315253"	447.031047	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+H+Na"	23.996494
"709255"	664.547447	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+H+Na"	23.996494
"1463318"	229.514647	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H+Na"	23.996494
"1053437"	153.345523333333	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2H+Na"	25.00377
"1258726"	468.066286	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+CH3OH+H"	33.033486
"379487"	909.028758	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+K"	38.963158
"744134"	1344.061558	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+K"	38.963158
"1543267"	473.995958	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+K"	38.963158
"301170"	455.018017	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+H+K"	39.970434
"691767"	672.534417	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+H+K"	39.970434
"1446069"	237.501617	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H+K"	39.970434
"236980"	912.099426	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+ACN+H"	42.033826
"1210905"	477.066626	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+ACN+H"	42.033826
"1195032"	239.036951	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+ACN+2H"	43.041102
"190331"	915.03676	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+2Na-H"	44.97116
"631607"	1350.06956	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+2Na-H"	44.97116
"1144595"	480.00396	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2Na-H"	44.97116
"177316"	458.022018	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+2Na"	45.978436
"614072"	675.538418	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+2Na"	45.978436
"1116484"	240.505618	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2Na"	45.978436
"1400251"	160.672837333333	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H+2Na"	46.985712
"1431639"	482.045546	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H+HCOOH"	47.012746
"220601"	463.05504	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+3H2O+2H"	56.04448
"1510123"	496.09759	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+IsoProp+H"	61.06479
"410181"	466.008988	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+Na+K"	61.952376
"773001"	683.525388	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+Na+K"	61.952376
"1665809"	248.492588	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Na+K"	61.952376
"252206"	934.081368	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+ACN+Na"	64.015768
"1226127"	499.048568	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+ACN+Na"	64.015768
"1714530"	499.072093	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+NH4+HCOOH"	64.039293
"1179518"	168.000151333333	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+3Na"	68.967654
"1658534"	504.027488	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Na+HCOOH"	68.994688
"164304"	946.98464	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+2K-H"	76.91904
"607146"	1382.01744	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+2K-H"	76.91904
"1091659"	511.95184	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2K-H"	76.91904
"152849"	473.995958	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"2M+2K"	77.926316
"585117"	691.512358	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"3M+2K"	77.926316
"1079110"	256.479558	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2K"	77.926316
"1112319"	513.966392	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2K+H"	78.933592
"1347611"	514.054007	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+DMSO+H"	79.021207
"1016141"	518.093176	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2ACN+H"	83.060376
"1537549"	519.086808	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+IsoProp+Na+H"	84.054008
"1004727"	259.550226	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+2ACN+2H"	84.067652
"1597406"	520.001428	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+K+HCOOH"	84.968628
"1421971"	550.032938	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+H+CF3COOH"	115.000138
"1155540"	280.063501	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+3ACN+2H"	125.094202
"1701810"	567.059485	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+NH4+CF3COOH"	132.026685
"1636367"	572.01488	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+Na+CF3COOH"	136.98208
"1575300"	587.98882	"C08420"	"Glucoraphenin;4-Methylsufinyl-3-butenyl glucosinolate"	"C12H21NO10S3"	"435.0328"	"M+K+CF3COOH"	152.95602
"814413"	464.0559	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M"	0
"977011"	445.03751	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-H2O-H"	-19.01839
"64277"	308.363324	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M-3H"	-3.021828
"503721"	463.048624	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M-3H"	-3.021828
"883706"	153.678024	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-3H"	-3.021828
"7754"	463.048624	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M-2H"	-2.014552
"445126"	695.076574	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M-2H"	-2.014552
"825116"	231.020674	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-2H"	-2.014552
"85108"	927.104524	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M-H"	-1.007276
"527949"	1391.160424	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M-H"	-1.007276
"904658"	463.048624	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-H"	-1.007276
"60127"	944.131071	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M-2H+NH4"	16.019271
"500780"	1408.186971	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M-2H+NH4"	16.019271
"878218"	480.075171	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-2H+NH4"	16.019271
"45025"	949.086466	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M-2H+Na"	20.974666
"477294"	1413.142366	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M-2H+Na"	20.974666
"855465"	485.030566	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-2H+Na"	20.974666
"1627912"	485.030566	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Na-2H"	20.974666
"104447"	481.036963	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M-H+Cl"	33.962126
"536353"	713.064913	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M-H+Cl"	33.962126
"937525"	249.009013	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-H+Cl"	33.962126
"274988"	963.081202	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+Cl"	34.969402
"662305"	1427.137102	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+Cl"	34.969402
"1278719"	499.025302	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Cl"	34.969402
"16535"	965.060406	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M-2H+K"	36.948606
"460837"	1429.116306	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M-2H+K"	36.948606
"841920"	501.004506	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-2H+K"	36.948606
"1563222"	501.004506	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+K-2H"	36.948606
"955483"	509.054094	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-H+HCOOH"	44.998194
"372604"	973.110001	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+HCOOH-H"	44.998201
"351020"	987.125651	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+Hac-H"	59.013851
"1507760"	523.069751	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Hac-H"	59.013851
"973325"	531.036051	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-H+NaCOOH"	66.980151
"123600"	499.025302	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+2Cl"	69.938804
"564255"	731.053252	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+2Cl"	69.938804
"1035967"	266.997352	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2Cl"	69.938804
"1254821"	542.974785	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Br"	78.918885
"1313253"	545.030772	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Cl+HCOOH"	80.974872
"1329656"	567.012729	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Cl+NaCOOH"	102.956829
"920713"	577.041486	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M-H+CF3COOH"	112.985586
"1302891"	613.018164	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Cl+CF3COOH"	148.962264
"1378500"	429.043224	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H-2H2O"	-35.012676
"1395266"	447.0532	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H-H2O"	-17.0027
"290575"	929.119076	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+H"	1.007276
"677530"	1393.174976	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+H"	1.007276
"1358260"	465.063176	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H"	1.007276
"135892"	465.063176	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+2H"	2.014552
"576186"	697.091126	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+2H"	2.014552
"1047537"	233.035226	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2H"	2.014552
"215436"	310.377876	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+3H"	3.021828
"656818"	465.063176	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+3H"	3.021828
"1172756"	155.692576	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+3H"	3.021828
"437123"	946.145623	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+NH4"	18.033823
"794838"	1410.201523	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+NH4"	18.033823
"1685697"	482.089723	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+NH4"	18.033823
"333613"	473.5764495	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+H+NH4"	19.041099
"726762"	705.6043995	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+H+NH4"	19.041099
"1481311"	241.5484995	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H+NH4"	19.041099
"397812"	951.101018	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+Na"	22.989218
"763183"	1415.156918	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+Na"	22.989218
"1604720"	487.045118	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Na"	22.989218
"321318"	476.054147	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+H+Na"	23.996494
"713739"	708.082097	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+H+Na"	23.996494
"1467560"	244.026197	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H+Na"	23.996494
"1055337"	163.01989	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2H+Na"	25.00377
"1258474"	497.089386	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+CH3OH+H"	33.033486
"379965"	967.074958	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+K"	38.963158
"741329"	1431.130858	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+K"	38.963158
"1541923"	503.019058	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+K"	38.963158
"300918"	484.041117	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+H+K"	39.970434
"691877"	716.069067	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+H+K"	39.970434
"1446180"	252.013167	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H+K"	39.970434
"236848"	970.145626	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+ACN+H"	42.033826
"1211014"	506.089726	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+ACN+H"	42.033826
"1195140"	253.548501	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+ACN+2H"	43.041102
"189597"	973.08296	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+2Na-H"	44.97116
"631717"	1437.13886	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+2Na-H"	44.97116
"1145799"	509.02706	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2Na-H"	44.97116
"178520"	487.045118	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+2Na"	45.978436
"614190"	719.073068	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+2Na"	45.978436
"1116961"	255.017168	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2Na"	45.978436
"1400732"	170.347204	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H+2Na"	46.985712
"1431144"	511.068646	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H+HCOOH"	47.012746
"221807"	492.07814	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+3H2O+2H"	56.04448
"1508901"	525.12069	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+IsoProp+H"	61.06479
"410657"	495.032088	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+Na+K"	61.952376
"773479"	727.060038	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+Na+K"	61.952376
"1668717"	263.004138	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Na+K"	61.952376
"252440"	992.127568	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+ACN+Na"	64.015768
"1226115"	528.071668	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+ACN+Na"	64.015768
"1714400"	528.095193	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+NH4+HCOOH"	64.039293
"1179509"	177.674518	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+3Na"	68.967654
"1658644"	533.050588	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Na+HCOOH"	68.994688
"164775"	1005.03084	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+2K-H"	76.91904
"607256"	1469.08674	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+2K-H"	76.91904
"1089214"	540.97494	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2K-H"	76.91904
"149679"	503.019058	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"2M+2K"	77.926316
"588143"	735.047008	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"3M+2K"	77.926316
"1081407"	270.991108	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2K"	77.926316
"1112429"	542.989492	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2K+H"	78.933592
"1349909"	543.077107	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+DMSO+H"	79.021207
"1018439"	547.116276	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2ACN+H"	83.060376
"1539485"	548.109908	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+IsoProp+Na+H"	84.054008
"999733"	274.061776	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+2ACN+2H"	84.067652
"1597515"	549.024528	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+K+HCOOH"	84.968628
"1419895"	579.056038	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+H+CF3COOH"	115.000138
"1152370"	294.575051	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+3ACN+2H"	125.094202
"1701920"	596.082585	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+NH4+CF3COOH"	132.026685
"1635139"	601.03798	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+Na+CF3COOH"	136.98208
"1572858"	617.01192	"C08422"	"4-Hydroxyglucobrassicin;4-Hydroxy-3-indolylmethylglucosinolate"	"C16H20N2O10S2"	"464.0559"	"M+K+CF3COOH"	152.95602
"812336"	478.0716	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M"	0
"974306"	459.05321	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H2O-H"	-19.01839
"65361"	317.707124	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-3H"	-3.021828
"503102"	477.064324	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-3H"	-3.021828
"881631"	158.349924	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-3H"	-3.021828
"5677"	477.064324	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H"	-2.014552
"445237"	716.100124	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H"	-2.014552
"824133"	238.028524	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H"	-2.014552
"83031"	955.135924	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-H"	-1.007276
"522588"	1433.207524	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-H"	-1.007276
"898934"	477.064324	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H"	-1.007276
"53675"	972.162471	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H+NH4"	16.019271
"497610"	1450.234071	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H+NH4"	16.019271
"872132"	494.090871	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H+NH4"	16.019271
"44407"	977.117866	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H+Na"	20.974666
"477768"	1455.189466	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H+Na"	20.974666
"849740"	499.046266	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H+Na"	20.974666
"1628022"	499.046266	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na-2H"	20.974666
"94791"	495.052663	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-H+Cl"	33.962126
"535002"	734.088463	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-H+Cl"	33.962126
"929979"	256.016863	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+Cl"	33.962126
"268288"	991.112602	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Cl"	34.969402
"661806"	1469.184202	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+Cl"	34.969402
"1274450"	513.041002	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl"	34.969402
"17127"	993.091806	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H+K"	36.948606
"457666"	1471.163406	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H+K"	36.948606
"833767"	515.020206	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H+K"	36.948606
"1560052"	515.020206	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K-2H"	36.948606
"943923"	523.069794	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+HCOOH"	44.998194
"372714"	1001.141401	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+HCOOH-H"	44.998201
"352223"	1015.157051	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Hac-H"	59.013851
"1507629"	537.085451	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Hac-H"	59.013851
"973596"	545.051751	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+NaCOOH"	66.980151
"124076"	513.041002	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2Cl"	69.938804
"565096"	752.076802	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2Cl"	69.938804
"1035955"	274.005202	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2Cl"	69.938804
"1256390"	556.990485	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Br"	78.918885
"1313363"	559.046472	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl+HCOOH"	80.974872
"1328672"	581.028429	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl+NaCOOH"	102.956829
"920823"	591.057186	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+CF3COOH"	112.985586
"1303365"	627.033864	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl+CF3COOH"	148.962264
"1379703"	443.058924	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H-2H2O"	-35.012676
"1397075"	461.0689	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H-H2O"	-17.0027
"290685"	957.150476	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H"	1.007276
"678733"	1435.222076	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H"	1.007276
"1357277"	479.078876	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H"	1.007276
"136002"	479.078876	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2H"	2.014552
"575559"	718.114676	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2H"	2.014552
"1046547"	240.043076	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2H"	2.014552
"216274"	319.721676	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+3H"	3.021828
"657658"	479.078876	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+3H"	3.021828
"1176146"	160.364476	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+3H"	3.021828
"436140"	974.177023	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+NH4"	18.033823
"794948"	1452.248623	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+NH4"	18.033823
"1685808"	496.105423	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+NH4"	18.033823
"333359"	487.5921495	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H+NH4"	19.041099
"725779"	726.6279495	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H+NH4"	19.041099
"1481422"	248.5563495	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+NH4"	19.041099
"401202"	979.132418	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Na"	22.989218
"763293"	1457.204018	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+Na"	22.989218
"1604830"	501.060818	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na"	22.989218
"323615"	490.069847	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H+Na"	23.996494
"716036"	729.105647	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H+Na"	23.996494
"1467672"	251.034047	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+Na"	23.996494
"1055447"	167.69179	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2H+Na"	25.00377
"1260043"	511.105086	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+CH3OH+H"	33.033486
"381169"	995.106358	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+K"	38.963158
"739616"	1473.177958	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+K"	38.963158
"1541302"	517.034758	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K"	38.963158
"300663"	498.056817	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H+K"	39.970434
"692108"	737.092617	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H+K"	39.970434
"1445927"	259.021017	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+K"	39.970434
"236148"	998.177026	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+ACN+H"	42.033826
"1211609"	520.105426	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+ACN+H"	42.033826
"1196099"	260.556351	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+ACN+2H"	43.041102
"189343"	1001.11436	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2Na-H"	44.97116
"630720"	1479.18596	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2Na-H"	44.97116
"1133385"	523.04276	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2Na-H"	44.97116
"180816"	501.060818	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2Na"	45.978436
"614057"	740.096618	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2Na"	45.978436
"1116954"	262.025018	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2Na"	45.978436
"1403030"	175.019104	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+2Na"	46.985712
"1430645"	525.084346	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+HCOOH"	47.012746
"222654"	506.09384	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+3H2O+2H"	56.04448
"1509009"	539.13639	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+IsoProp+H"	61.06479
"412956"	509.047788	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Na+K"	61.952376
"773589"	748.083588	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+Na+K"	61.952376
"1671014"	270.011988	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na+K"	61.952376
"253158"	1020.158968	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+ACN+Na"	64.015768
"1225899"	542.087368	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+ACN+Na"	64.015768
"1719129"	542.110893	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+NH4+HCOOH"	64.039293
"1180474"	182.346418	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+3Na"	68.967654
"1655107"	547.066288	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na+HCOOH"	68.994688
"164885"	1033.06224	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2K-H"	76.91904
"607366"	1511.13384	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2K-H"	76.91904
"1088595"	554.99064	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2K-H"	76.91904
"149789"	517.034758	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2K"	77.926316
"587160"	756.070558	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2K"	77.926316
"1079330"	277.998958	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2K"	77.926316
"1109259"	557.005192	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2K+H"	78.933592
"1351104"	557.092807	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+DMSO+H"	79.021207
"1018549"	561.131976	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2ACN+H"	83.060376
"1537769"	562.125608	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+IsoProp+Na+H"	84.054008
"997656"	281.069626	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2ACN+2H"	84.067652
"1596532"	563.040228	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K+HCOOH"	84.968628
"1418912"	593.071738	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+CF3COOH"	115.000138
"1155760"	301.582901	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+3ACN+2H"	125.094202
"1701301"	610.098285	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+NH4+CF3COOH"	132.026685
"1635858"	615.05368	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na+CF3COOH"	136.98208
"1575520"	631.02762	"C08423"	"4-Methoxyglucobrassicin;4-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K+CF3COOH"	152.95602
"809166"	478.0716	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M"	0
"975044"	459.05321	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H2O-H"	-19.01839
"65833"	317.707124	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-3H"	-3.021828
"505034"	477.064324	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-3H"	-3.021828
"881372"	158.349924	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-3H"	-3.021828
"6880"	477.064324	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H"	-2.014552
"441094"	716.100124	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H"	-2.014552
"829710"	238.028524	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H"	-2.014552
"88609"	955.135924	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-H"	-1.007276
"527076"	1433.207524	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-H"	-1.007276
"903785"	477.064324	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H"	-1.007276
"60957"	972.162471	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H+NH4"	16.019271
"499908"	1450.234071	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H+NH4"	16.019271
"874429"	494.090871	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H+NH4"	16.019271
"43789"	977.117866	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H+Na"	20.974666
"482618"	1455.189466	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H+Na"	20.974666
"856408"	499.046266	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H+Na"	20.974666
"1622662"	499.046266	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na-2H"	20.974666
"95548"	495.052663	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-H+Cl"	33.962126
"534786"	734.088463	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-H+Cl"	33.962126
"928995"	256.016863	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+Cl"	33.962126
"269369"	991.112602	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Cl"	34.969402
"660457"	1469.184202	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+Cl"	34.969402
"1274922"	513.041002	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl"	34.969402
"17117"	993.091806	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M-2H+K"	36.948606
"456682"	1471.163406	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M-2H+K"	36.948606
"835578"	515.020206	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-2H+K"	36.948606
"1560159"	515.020206	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K-2H"	36.948606
"946219"	523.069794	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+HCOOH"	44.998194
"366260"	1001.141401	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+HCOOH-H"	44.998201
"351240"	1015.157051	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Hac-H"	59.013851
"1507373"	537.085451	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Hac-H"	59.013851
"972732"	545.051751	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+NaCOOH"	66.980151
"125277"	513.041002	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2Cl"	69.938804
"564718"	752.076802	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2Cl"	69.938804
"1035461"	274.005202	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2Cl"	69.938804
"1251025"	556.990485	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Br"	78.918885
"1312381"	559.046472	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl+HCOOH"	80.974872
"1326595"	581.028429	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl+NaCOOH"	102.956829
"918746"	591.057186	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M-H+CF3COOH"	112.985586
"1298735"	627.033864	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Cl+CF3COOH"	148.962264
"1376896"	443.058924	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H-2H2O"	-35.012676
"1395121"	461.0689	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H-H2O"	-17.0027
"294077"	957.150476	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H"	1.007276
"689416"	1435.222076	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H"	1.007276
"1353010"	479.078876	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H"	1.007276
"132463"	479.078876	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2H"	2.014552
"573117"	718.114676	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2H"	2.014552
"1039002"	240.043076	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2H"	2.014552
"206539"	319.721676	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+3H"	3.021828
"652659"	479.078876	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+3H"	3.021828
"1171878"	160.364476	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+3H"	3.021828
"431875"	974.177023	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+NH4"	18.033823
"795057"	1452.248623	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+NH4"	18.033823
"1684825"	496.105423	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+NH4"	18.033823
"333468"	487.5921495	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H+NH4"	19.041099
"733178"	726.6279495	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H+NH4"	19.041099
"1484812"	248.5563495	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+NH4"	19.041099
"400219"	979.132418	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Na"	22.989218
"762311"	1457.204018	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+Na"	22.989218
"1608221"	501.060818	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na"	22.989218
"325548"	490.069847	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H+Na"	23.996494
"717240"	729.105647	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H+Na"	23.996494
"1469969"	251.034047	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+Na"	23.996494
"1054464"	167.69179	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2H+Na"	25.00377
"1259426"	511.105086	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+CH3OH+H"	33.033486
"380186"	995.106358	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+K"	38.963158
"738873"	1473.177958	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+K"	38.963158
"1539961"	517.034758	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K"	38.963158
"298616"	498.056817	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+H+K"	39.970434
"691406"	737.092617	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+H+K"	39.970434
"1445608"	259.021017	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+K"	39.970434
"235894"	998.177026	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+ACN+H"	42.033826
"1210098"	520.105426	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+ACN+H"	42.033826
"1194755"	260.556351	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+ACN+2H"	43.041102
"190539"	1001.11436	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2Na-H"	44.97116
"630827"	1479.18596	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2Na-H"	44.97116
"1131584"	523.04276	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2Na-H"	44.97116
"175822"	501.060818	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2Na"	45.978436
"614289"	740.096618	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2Na"	45.978436
"1119618"	262.025018	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2Na"	45.978436
"1402047"	175.019104	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+2Na"	46.985712
"1432340"	525.084346	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+HCOOH"	47.012746
"228232"	506.09384	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+3H2O+2H"	56.04448
"1511190"	539.13639	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+IsoProp+H"	61.06479
"409785"	509.047788	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+Na+K"	61.952376
"771511"	748.083588	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+Na+K"	61.952376
"1667113"	270.011988	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na+K"	61.952376
"253634"	1020.158968	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+ACN+Na"	64.015768
"1226378"	542.087368	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+ACN+Na"	64.015768
"1712847"	542.110893	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+NH4+HCOOH"	64.039293
"1180951"	182.346418	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+3Na"	68.967654
"1654124"	547.066288	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na+HCOOH"	68.994688
"162080"	1033.06224	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2K-H"	76.91904
"600549"	1511.13384	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2K-H"	76.91904
"1088703"	554.99064	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2K-H"	76.91904
"145525"	517.034758	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"2M+2K"	77.926316
"586176"	756.070558	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"3M+2K"	77.926316
"1071785"	277.998958	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2K"	77.926316
"1108274"	557.005192	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2K+H"	78.933592
"1346848"	557.092807	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+DMSO+H"	79.021207
"1015378"	561.131976	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2ACN+H"	83.060376
"1531316"	562.125608	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+IsoProp+Na+H"	84.054008
"999952"	281.069626	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+2ACN+2H"	84.067652
"1599922"	563.040228	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K+HCOOH"	84.968628
"1421210"	593.071738	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+H+CF3COOH"	115.000138
"1151860"	301.582901	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+3ACN+2H"	125.094202
"1703235"	610.098285	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+NH4+CF3COOH"	132.026685
"1637790"	615.05368	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+Na+CF3COOH"	136.98208
"1575630"	631.02762	"C08424"	"Neoglucobrassicin;1-Methoxy-3-indolylmethyl glucosinolate"	"C17H22N2O10S2"	"478.0716"	"M+K+CF3COOH"	152.95602
"809276"	389.045	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M"	0
"977341"	370.02661	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-H2O-H"	-19.01839
"65580"	258.356057333333	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M-3H"	-3.021828
"504051"	388.037724	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M-3H"	-3.021828
"882943"	128.674390666667	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-3H"	-3.021828
"6990"	388.037724	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M-2H"	-2.014552
"443270"	582.560224	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M-2H"	-2.014552
"825446"	193.515224	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-2H"	-2.014552
"85438"	777.082724	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M-H"	-1.007276
"527186"	1166.127724	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M-H"	-1.007276
"910824"	388.037724	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-H"	-1.007276
"61311"	794.109271	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M-2H+NH4"	16.019271
"498923"	1183.154271	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M-2H+NH4"	16.019271
"875632"	405.064271	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-2H+NH4"	16.019271
"44263"	799.064666	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M-2H+Na"	20.974666
"483092"	1188.109666	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M-2H+Na"	20.974666
"852873"	410.019666	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-2H+Na"	20.974666
"1622042"	410.019666	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Na-2H"	20.974666
"96390"	406.026063	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M-H+Cl"	33.962126
"534573"	600.548563	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M-H+Cl"	33.962126
"927236"	211.503563	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-H+Cl"	33.962126
"268751"	813.059402	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+Cl"	34.969402
"660567"	1202.104402	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+Cl"	34.969402
"1273819"	424.014402	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Cl"	34.969402
"17349"	815.038606	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M-2H+K"	36.948606
"455838"	1204.083606	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M-2H+K"	36.948606
"832963"	425.993606	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-2H+K"	36.948606
"1558081"	425.993606	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+K-2H"	36.948606
"944869"	434.043194	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-H+HCOOH"	44.998194
"363084"	823.088201	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+HCOOH-H"	44.998201
"354629"	837.103851	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+Hac-H"	59.013851
"1507117"	448.058851	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Hac-H"	59.013851
"973200"	456.025151	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-H+NaCOOH"	66.980151
"125144"	424.014402	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+2Cl"	69.938804
"563850"	618.536902	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+2Cl"	69.938804
"1035929"	229.491902	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2Cl"	69.938804
"1254415"	467.963885	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Br"	78.918885
"1313582"	470.019872	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Cl+HCOOH"	80.974872
"1324518"	492.001829	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Cl+NaCOOH"	102.956829
"917762"	502.030586	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M-H+CF3COOH"	112.985586
"1298844"	538.007264	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Cl+CF3COOH"	148.962264
"1377003"	354.032324	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H-2H2O"	-35.012676
"1390125"	372.0423	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H-H2O"	-17.0027
"284341"	779.097276	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+H"	1.007276
"678953"	1168.142276	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+H"	1.007276
"1354214"	390.052276	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H"	1.007276
"131475"	390.052276	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+2H"	2.014552
"572133"	584.574776	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+2H"	2.014552
"1040935"	195.529776	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2H"	2.014552
"208836"	260.370609333333	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+3H"	3.021828
"647300"	390.052276	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+3H"	3.021828
"1169801"	130.688942666667	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+3H"	3.021828
"433078"	796.123823	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+NH4"	18.033823
"790793"	1185.168823	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+NH4"	18.033823
"1684935"	407.078823	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+NH4"	18.033823
"334307"	398.5655495	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+H+NH4"	19.041099
"730007"	593.0880495	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+H+NH4"	19.041099
"1484921"	204.0430495	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H+NH4"	19.041099
"401422"	801.079218	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+Na"	22.989218
"765701"	1190.124218	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+Na"	22.989218
"1609424"	412.034218	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Na"	22.989218
"326022"	401.043247	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+H+Na"	23.996494
"718443"	595.565747	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+H+Na"	23.996494
"1472265"	206.520747	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H+Na"	23.996494
"1056761"	138.016256666667	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2H+Na"	25.00377
"1260629"	422.078486	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+CH3OH+H"	33.033486
"382482"	817.053158	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+K"	38.963158
"738697"	1206.098158	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+K"	38.963158
"1540045"	428.008158	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+K"	38.963158
"298769"	409.030217	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+H+K"	39.970434
"691595"	603.552717	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+H+K"	39.970434
"1445659"	214.507717	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H+K"	39.970434
"235718"	820.123826	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+ACN+H"	42.033826
"1210616"	431.078826	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+ACN+H"	42.033826
"1195228"	216.043051	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+ACN+2H"	43.041102
"190650"	823.06116	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+2Na-H"	44.97116
"630695"	1212.10616	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+2Na-H"	44.97116
"1131778"	434.01616	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2Na-H"	44.97116
"175568"	412.034218	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+2Na"	45.978436
"616223"	606.556718	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+2Na"	45.978436
"1124102"	217.511718	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2Na"	45.978436
"1399971"	145.343570666667	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H+2Na"	46.985712
"1432086"	436.057746	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H+HCOOH"	47.012746
"226155"	417.06724	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+3H2O+2H"	56.04448
"1514216"	450.10979	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+IsoProp+H"	61.06479
"408594"	420.021188	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+Na+K"	61.952376
"771621"	614.543688	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+Na+K"	61.952376
"1668686"	225.498688	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Na+K"	61.952376
"252653"	842.105768	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+ACN+Na"	64.015768
"1226210"	453.060768	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+ACN+Na"	64.015768
"1713880"	453.084293	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+NH4+HCOOH"	64.039293
"1182154"	152.670884666667	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+3Na"	68.967654
"1654234"	458.039688	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Na+HCOOH"	68.994688
"163649"	855.00904	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+2K-H"	76.91904
"602117"	1244.05404	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+2K-H"	76.91904
"1088813"	465.96404	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2K-H"	76.91904
"146728"	428.008158	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"2M+2K"	77.926316
"586290"	622.530658	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"3M+2K"	77.926316
"1080646"	233.485658	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2K"	77.926316
"1114951"	467.978592	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2K+H"	78.933592
"1350118"	468.066207	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+DMSO+H"	79.021207
"1021202"	472.105376	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2ACN+H"	83.060376
"1535800"	473.099008	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+IsoProp+Na+H"	84.054008
"1005166"	236.556326	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+2ACN+2H"	84.067652
"1600033"	474.013628	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+K+HCOOH"	84.968628
"1420227"	504.045138	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+H+CF3COOH"	115.000138
"1155981"	257.069601	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+3ACN+2H"	125.094202
"1704438"	521.071685	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+NH4+CF3COOH"	132.026685
"1637900"	526.02708	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+Na+CF3COOH"	136.98208
"1575740"	542.00102	"C08425"	"Progoitrin;2(R)-2-Hydroxy-3-butenyl glucosinolate;Glucorapiferin"	"C11H19NO10S2"	"389.045"	"M+K+CF3COOH"	152.95602
"815949"	425.045	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M"	0
"989447"	406.02661	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-H2O-H"	-19.01839
"73349"	282.356057333333	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M-3H"	-3.021828
"518018"	424.037724	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M-3H"	-3.021828
"894973"	140.674390666667	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-3H"	-3.021828
"15588"	424.037724	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M-2H"	-2.014552
"454926"	636.560224	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M-2H"	-2.014552
"830783"	211.515224	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-2H"	-2.014552
"92109"	849.082724	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M-H"	-1.007276
"529483"	1274.127724	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M-H"	-1.007276
"910447"	424.037724	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-H"	-1.007276
"61419"	866.109271	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M-2H+NH4"	16.019271
"500857"	1291.154271	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M-2H+NH4"	16.019271
"876471"	441.064271	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-2H+NH4"	16.019271
"45102"	871.064666	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M-2H+Na"	20.974666
"486122"	1296.109666	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M-2H+Na"	20.974666
"858818"	446.019666	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-2H+Na"	20.974666
"1627259"	446.019666	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Na-2H"	20.974666
"95288"	442.026063	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M-H+Cl"	33.962126
"535818"	654.548563	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M-H+Cl"	33.962126
"939059"	229.503563	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-H+Cl"	33.962126
"275429"	885.059402	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+Cl"	34.969402
"664934"	1310.104402	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+Cl"	34.969402
"1276243"	460.014402	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Cl"	34.969402
"18437"	887.038606	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M-2H+K"	36.948606
"457998"	1312.083606	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M-2H+K"	36.948606
"836893"	461.993606	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-2H+K"	36.948606
"1558194"	461.993606	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+K-2H"	36.948606
"957259"	470.043194	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-H+HCOOH"	44.998194
"371585"	895.088201	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+HCOOH-H"	44.998201
"361186"	909.103851	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+Hac-H"	59.013851
"1507959"	484.058851	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Hac-H"	59.013851
"973201"	492.025151	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-H+NaCOOH"	66.980151
"125143"	460.014402	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+2Cl"	69.938804
"565307"	672.536902	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+2Cl"	69.938804
"1036414"	247.491902	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2Cl"	69.938804
"1255259"	503.963885	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Br"	78.918885
"1311508"	506.019872	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Cl+HCOOH"	80.974872
"1327912"	528.001829	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Cl+NaCOOH"	102.956829
"917876"	538.030586	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M-H+CF3COOH"	112.985586
"1295677"	574.007264	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Cl+CF3COOH"	148.962264
"1372744"	390.032324	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H-2H2O"	-35.012676
"1390239"	408.0423	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H-H2O"	-17.0027
"289926"	851.097276	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+H"	1.007276
"688543"	1276.142276	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+H"	1.007276
"1359793"	426.052276	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H"	1.007276
"134870"	426.052276	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+2H"	2.014552
"576987"	638.574776	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+2H"	2.014552
"1051987"	213.529776	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2H"	2.014552
"218066"	284.370609333333	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+3H"	3.021828
"655801"	426.052276	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+3H"	3.021828
"1175019"	142.688942666667	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+3H"	3.021828
"435011"	868.123823	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+NH4"	18.033823
"795277"	1293.168823	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+NH4"	18.033823
"1689421"	443.078823	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+NH4"	18.033823
"335512"	434.5655495	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+H+NH4"	19.041099
"735956"	647.0880495	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+H+NH4"	19.041099
"1482849"	222.0430495	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H+NH4"	19.041099
"407856"	873.079218	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+Na"	22.989218
"765815"	1298.124218	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+Na"	22.989218
"1612821"	448.034218	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Na"	22.989218
"325045"	437.043247	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+H+Na"	23.996494
"717466"	649.565747	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+H+Na"	23.996494
"1470194"	224.520747	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H+Na"	23.996494
"1060158"	150.016256666667	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2H+Na"	25.00377
"1266209"	458.078486	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+CH3OH+H"	33.033486
"384786"	889.053158	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+K"	38.963158
"739338"	1314.098158	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+K"	38.963158
"1540341"	464.008158	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+K"	38.963158
"299663"	445.030217	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+H+K"	39.970434
"693421"	657.552717	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+H+K"	39.970434
"1452345"	232.507717	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H+K"	39.970434
"240945"	892.123826	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+ACN+H"	42.033826
"1215843"	467.078826	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+ACN+H"	42.033826
"1196445"	234.043051	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+ACN+2H"	43.041102
"191504"	895.06116	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+2Na-H"	44.97116
"631789"	1320.10616	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+2Na-H"	44.97116
"1136759"	470.01616	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2Na-H"	44.97116
"182240"	448.034218	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+2Na"	45.978436
"616333"	660.556718	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+2Na"	45.978436
"1119838"	235.511718	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2Na"	45.978436
"1406641"	157.343570666667	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H+2Na"	46.985712
"1435478"	472.057746	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H+HCOOH"	47.012746
"220229"	453.06724	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+3H2O+2H"	56.04448
"1509954"	486.10979	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+IsoProp+H"	61.06479
"415110"	456.021188	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+Na+K"	61.952376
"771731"	668.543688	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+Na+K"	61.952376
"1665795"	243.498688	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Na+K"	61.952376
"252764"	914.105768	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+ACN+Na"	64.015768
"1227295"	489.060768	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+ACN+Na"	64.015768
"1715089"	489.084293	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+NH4+HCOOH"	64.039293
"1180440"	164.670884666667	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+3Na"	68.967654
"1651060"	494.039688	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Na+HCOOH"	68.994688
"158285"	927.00904	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+2K-H"	76.91904
"602227"	1352.05404	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+2K-H"	76.91904
"1088929"	501.96404	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2K-H"	76.91904
"146473"	464.008158	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"2M+2K"	77.926316
"588587"	676.530658	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"3M+2K"	77.926316
"1076380"	251.485658	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2K"	77.926316
"1108495"	503.978592	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2K+H"	78.933592
"1344880"	504.066207	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+DMSO+H"	79.021207
"1016691"	508.105376	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2ACN+H"	83.060376
"1533722"	509.099008	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+IsoProp+Na+H"	84.054008
"1000172"	254.556326	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+2ACN+2H"	84.067652
"1602208"	510.013628	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+K+HCOOH"	84.968628
"1422522"	540.045138	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+H+CF3COOH"	115.000138
"1149528"	275.069601	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+3ACN+2H"	125.094202
"1707828"	557.071685	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+NH4+CF3COOH"	132.026685
"1638010"	562.02708	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+Na+CF3COOH"	136.98208
"1575850"	578.00102	"C08426"	"Sinalbin;p-Hydroxybenzyl glucosinolate"	"C14H19NO10S2"	"425.045"	"M+K+CF3COOH"	152.95602
"809496"	359.0345	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M"	0
"984124"	340.01611	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-H2O-H"	-19.01839
"71272"	238.349057333333	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M-3H"	-3.021828
"506459"	358.027224	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M-3H"	-3.021828
"884258"	118.670890666667	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-3H"	-3.021828
"6116"	358.027224	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M-2H"	-2.014552
"443850"	537.544474	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M-2H"	-2.014552
"823478"	178.509974	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-2H"	-2.014552
"81281"	717.061724	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M-H"	-1.007276
"522297"	1076.096224	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M-H"	-1.007276
"899373"	358.027224	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-H"	-1.007276
"60676"	734.088271	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M-2H+NH4"	16.019271
"496955"	1093.122771	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M-2H+NH4"	16.019271
"868194"	375.053771	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-2H+NH4"	16.019271
"42659"	739.043666	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M-2H+Na"	20.974666
"478207"	1098.078166	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M-2H+Na"	20.974666
"855648"	380.009166	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-2H+Na"	20.974666
"1630650"	380.009166	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Na-2H"	20.974666
"99530"	376.015563	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M-H+Cl"	33.962126
"538361"	555.532813	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M-H+Cl"	33.962126
"936982"	196.498313	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-H+Cl"	33.962126
"275539"	753.038402	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+Cl"	34.969402
"665773"	1112.072902	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+Cl"	34.969402
"1275988"	394.003902	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Cl"	34.969402
"22921"	755.017606	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M-2H+K"	36.948606
"465763"	1114.052106	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M-2H+K"	36.948606
"839190"	395.983106	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-2H+K"	36.948606
"1563772"	395.983106	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+K-2H"	36.948606
"957490"	404.032694	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-H+HCOOH"	44.998194
"372059"	763.067201	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+HCOOH-H"	44.998201
"360930"	777.082851	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+Hac-H"	59.013851
"1508425"	418.048351	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Hac-H"	59.013851
"973427"	426.014651	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-H+NaCOOH"	66.980151
"124886"	394.003902	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+2Cl"	69.938804
"565456"	573.521152	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+2Cl"	69.938804
"1036766"	214.486652	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2Cl"	69.938804
"1249171"	437.953385	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Br"	78.918885
"1309430"	440.009372	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Cl+HCOOH"	80.974872
"1328022"	461.991329	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Cl+NaCOOH"	102.956829
"916893"	472.020086	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M-H+CF3COOH"	112.985586
"1297973"	507.996764	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Cl+CF3COOH"	148.962264
"1375041"	324.021824	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H-2H2O"	-35.012676
"1389255"	342.0318	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H-H2O"	-17.0027
"291129"	719.076276	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+H"	1.007276
"684644"	1078.110776	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+H"	1.007276
"1358810"	360.041776	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H"	1.007276
"132793"	360.041776	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+2H"	2.014552
"578918"	539.559026	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+2H"	2.014552
"1049177"	180.524526	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2H"	2.014552
"217810"	240.363609333333	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+3H"	3.021828
"655182"	360.041776	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+3H"	3.021828
"1170026"	120.685442666667	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+3H"	3.021828
"432205"	736.102823	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+NH4"	18.033823
"795387"	1095.137323	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+NH4"	18.033823
"1685156"	377.068323	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+NH4"	18.033823
"338904"	368.5550495	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+H+NH4"	19.041099
"733514"	548.0722995	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+H+NH4"	19.041099
"1481866"	189.0377995	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H+NH4"	19.041099
"408207"	741.058218	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+Na"	22.989218
"769773"	1100.092718	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+Na"	22.989218
"1616213"	382.023718	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Na"	22.989218
"325155"	371.032747	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+H+Na"	23.996494
"718670"	550.549997	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+H+Na"	23.996494
"1465930"	191.515497	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H+Na"	23.996494
"1059175"	128.012756666667	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2H+Na"	25.00377
"1268505"	392.067986	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+CH3OH+H"	33.033486
"382709"	757.032158	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+K"	38.963158
"740426"	1116.066658	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+K"	38.963158
"1542478"	397.997658	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+K"	38.963158
"299409"	379.019717	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+H+K"	39.970434
"696447"	558.536967	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+H+K"	39.970434
"1451362"	199.502467	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H+K"	39.970434
"239965"	760.102826	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+ACN+H"	42.033826
"1221422"	401.068326	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+ACN+H"	42.033826
"1202025"	201.037801	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+ACN+2H"	43.041102
"197083"	763.04016	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+2Na-H"	44.97116
"633361"	1122.07466	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+2Na-H"	44.97116
"1134313"	404.00566	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2Na-H"	44.97116
"182351"	382.023718	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+2Na"	45.978436
"616444"	561.540968	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+2Na"	45.978436
"1123229"	202.506468	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2Na"	45.978436
"1408939"	135.340070666667	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H+2Na"	46.985712
"1432309"	406.047246	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H+HCOOH"	47.012746
"225284"	387.05674	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+3H2O+2H"	56.04448
"1514438"	420.09929	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+IsoProp+H"	61.06479
"416313"	390.010688	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+Na+K"	61.952376
"772325"	569.527938	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+Na+K"	61.952376
"1665989"	210.493438	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Na+K"	61.952376
"253604"	782.084768	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+ACN+Na"	64.015768
"1227404"	423.050268	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+ACN+Na"	64.015768
"1713498"	423.073793	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+NH4+HCOOH"	64.039293
"1180550"	142.667384666667	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+3Na"	68.967654
"1652265"	428.029188	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Na+HCOOH"	68.994688
"159857"	794.98804	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+2K-H"	76.91904
"602337"	1154.02254	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+2K-H"	76.91904
"1091228"	435.95354	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2K-H"	76.91904
"146948"	397.997658	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"2M+2K"	77.926316
"586510"	577.514908	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"3M+2K"	77.926316
"1079770"	218.480408	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2K"	77.926316
"1111886"	437.968092	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2K+H"	78.933592
"1346083"	438.055707	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+DMSO+H"	79.021207
"1020327"	442.094876	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2ACN+H"	83.060376
"1538816"	443.088508	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+IsoProp+Na+H"	84.054008
"1004173"	221.551076	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+2ACN+2H"	84.067652
"1599160"	444.003128	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+K+HCOOH"	84.968628
"1427008"	474.034638	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+H+CF3COOH"	115.000138
"1154013"	242.064351	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+3ACN+2H"	125.094202
"1701378"	491.061185	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+NH4+CF3COOH"	132.026685
"1641401"	496.01658	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+Na+CF3COOH"	136.98208
"1575960"	511.99052	"C08427"	"Sinigrin;2-Propenyl glucosinolate"	"C10H17NO9S2"	"359.0345"	"M+K+CF3COOH"	152.95602
"809606"	528.0178	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M"	0
"978764"	508.99941	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-H2O-H"	-19.01839
"63234"	351.004590666667	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M-3H"	-3.021828
"505838"	527.010524	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M-3H"	-3.021828
"882545"	174.998657333333	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-3H"	-3.021828
"2458"	527.010524	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M-2H"	-2.014552
"442867"	791.019424	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M-2H"	-2.014552
"821402"	263.001624	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-2H"	-2.014552
"81027"	1055.028324	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M-H"	-1.007276
"521313"	1583.046124	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M-H"	-1.007276
"898025"	527.010524	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-H"	-1.007276
"57506"	1072.054871	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M-2H+NH4"	16.019271
"493785"	1600.072671	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M-2H+NH4"	16.019271
"869033"	544.037071	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-2H+NH4"	16.019271
"42769"	1077.010266	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M-2H+Na"	20.974666
"477953"	1605.028066	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M-2H+Na"	20.974666
"852109"	548.992466	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-2H+Na"	20.974666
"1629667"	548.992466	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Na-2H"	20.974666
"105107"	544.998863	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M-H+Cl"	33.962126
"542481"	809.007763	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M-H+Cl"	33.962126
"929801"	280.989963	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-H+Cl"	33.962126
"269452"	1091.005002	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+Cl"	34.969402
"668070"	1619.022802	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+Cl"	34.969402
"1277192"	562.987202	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Cl"	34.969402
"25218"	1092.984206	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M-2H+K"	36.948606
"462593"	1621.002006	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M-2H+K"	36.948606
"842581"	564.966406	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-2H+K"	36.948606
"1563881"	564.966406	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+K-2H"	36.948606
"956143"	573.015994	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-H+HCOOH"	44.998194
"371076"	1101.033801	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+HCOOH-H"	44.998201
"360841"	1115.049451	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+Hac-H"	59.013851
"1506598"	587.031651	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Hac-H"	59.013851
"973899"	594.997951	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-H+NaCOOH"	66.980151
"124995"	562.987202	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+2Cl"	69.938804
"564794"	826.996102	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+2Cl"	69.938804
"1036393"	298.978302	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2Cl"	69.938804
"1249281"	606.936685	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Br"	78.918885
"1309540"	608.992672	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Cl+HCOOH"	80.974872
"1327039"	630.974629	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Cl+NaCOOH"	102.956829
"918094"	641.003386	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M-H+CF3COOH"	112.985586
"1294803"	676.980064	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Cl+CF3COOH"	148.962264
"1375148"	493.005124	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H-2H2O"	-35.012676
"1389365"	511.0151	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H-H2O"	-17.0027
"289052"	1057.042876	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+H"	1.007276
"682567"	1585.060676	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+H"	1.007276
"1357097"	529.025076	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H"	1.007276
"127556"	529.025076	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+2H"	2.014552
"576842"	793.033976	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+2H"	2.014552
"1049287"	265.016176	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2H"	2.014552
"218284"	353.019142666667	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+3H"	3.021828
"656021"	529.025076	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+3H"	3.021828
"1171229"	177.013209333333	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+3H"	3.021828
"434502"	1074.069423	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+NH4"	18.033823
"792216"	1602.087223	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+NH4"	18.033823
"1688546"	546.051623	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+NH4"	18.033823
"337921"	537.5383495	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+H+NH4"	19.041099
"733625"	801.5472495	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+H+NH4"	19.041099
"1483069"	273.5294495	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H+NH4"	19.041099
"406129"	1079.024818	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+Na"	22.989218
"768831"	1607.042618	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+Na"	22.989218
"1613041"	551.007018	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Na"	22.989218
"328182"	540.016047	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+H+Na"	23.996494
"719873"	804.024947	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+H+Na"	23.996494
"1475881"	276.007147	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H+Na"	23.996494
"1063658"	184.340523333333	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2H+Na"	25.00377
"1270801"	561.051286	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+CH3OH+H"	33.033486
"388287"	1094.998758	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+K"	38.963158
"743814"	1623.016558	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+K"	38.963158
"1542589"	566.980958	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+K"	38.963158
"301952"	548.003017	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+H+K"	39.970434
"699839"	812.011917	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+H+K"	39.970434
"1451472"	283.994117	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H+K"	39.970434
"243355"	1098.069426	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+ACN+H"	42.033826
"1218249"	570.051626	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+ACN+H"	42.033826
"1203228"	285.529451	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+ACN+2H"	43.041102
"197191"	1101.00676	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+2Na-H"	44.97116
"636751"	1629.02456	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+2Na-H"	44.97116
"1133694"	572.98896	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2Na-H"	44.97116
"179180"	551.007018	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+2Na"	45.978436
"623113"	815.015918	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+2Na"	45.978436
"1126619"	286.998118	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2Na"	45.978436
"1410144"	191.667837333333	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H+2Na"	46.985712
"1432783"	575.030546	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H+HCOOH"	47.012746
"229767"	556.04004	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+3H2O+2H"	56.04448
"1516734"	589.08259	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+IsoProp+H"	61.06479
"416423"	558.993988	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+Na+K"	61.952376
"774501"	823.002888	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+Na+K"	61.952376
"1667919"	294.985088	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Na+K"	61.952376
"256994"	1120.051368	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+ACN+Na"	64.015768
"1231886"	592.033568	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+ACN+Na"	64.015768
"1717497"	592.057093	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+NH4+HCOOH"	64.039293
"1183941"	198.995151333333	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+3Na"	68.967654
"1653108"	597.012488	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Na+HCOOH"	68.994688
"162888"	1132.95464	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+2K-H"	76.91904
"606825"	1660.97244	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+2K-H"	76.91904
"1093524"	604.93684	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2K-H"	76.91904
"150341"	566.980958	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"2M+2K"	77.926316
"594275"	830.989858	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"3M+2K"	77.926316
"1082068"	302.972058	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2K"	77.926316
"1114062"	606.951392	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2K+H"	78.933592
"1347286"	607.039007	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+DMSO+H"	79.021207
"1018005"	611.078176	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2ACN+H"	83.060376
"1537103"	612.071808	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+IsoProp+Na+H"	84.054008
"1002581"	306.042726	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+2ACN+2H"	84.067652
"1599270"	612.986428	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+K+HCOOH"	84.968628
"1427118"	643.017938	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+H+CF3COOH"	115.000138
"1153029"	326.556001	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+3ACN+2H"	125.094202
"1701488"	660.044485	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+NH4+CF3COOH"	132.026685
"1644791"	664.99988	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+Na+CF3COOH"	136.98208
"1576070"	680.97382	"C08428"	"(N-Sulfoindol-3-yl)methylglucosinolate"	"C16H20N2O12S3"	"528.0178"	"M+K+CF3COOH"	152.95602
"809716"	350.0515	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M"	0
"974622"	331.03311	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-H2O-H"	-19.01839
"63117"	232.360390666667	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M-3H"	-3.021828
"503516"	349.044224	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M-3H"	-3.021828
"879987"	115.676557333333	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-3H"	-3.021828
"624"	349.044224	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M-2H"	-2.014552
"443706"	524.069974	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M-2H"	-2.014552
"821512"	174.018474	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-2H"	-2.014552
"83689"	699.095724	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M-H"	-1.007276
"525435"	1049.147224	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M-H"	-1.007276
"899591"	349.044224	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-H"	-1.007276
"52143"	716.122271	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M-2H+NH4"	16.019271
"491707"	1066.173771	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M-2H+NH4"	16.019271
"866227"	366.070771	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-2H+NH4"	16.019271
"34129"	721.077666	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M-2H+Na"	20.974666
"480251"	1071.129166	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M-2H+Na"	20.974666
"851856"	371.026166	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-2H+Na"	20.974666
"1627590"	371.026166	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Na-2H"	20.974666
"107404"	367.032563	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M-H+Cl"	33.962126
"545870"	542.058313	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M-H+Cl"	33.962126
"937198"	192.006813	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-H+Cl"	33.962126
"268465"	735.072402	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+Cl"	34.969402
"665992"	1085.123902	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+Cl"	34.969402
"1277302"	385.020902	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Cl"	34.969402
"23141"	737.051606	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M-2H+K"	36.948606
"462703"	1087.103106	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M-2H+K"	36.948606
"842691"	387.000106	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-2H+K"	36.948606
"1559619"	387.000106	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+K-2H"	36.948606
"956253"	395.049694	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-H+HCOOH"	44.998194
"372279"	745.101201	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+HCOOH-H"	44.998201
"360662"	759.116851	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+Hac-H"	59.013851
"1508253"	409.065351	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Hac-H"	59.013851
"973033"	417.031651	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-H+NaCOOH"	66.980151
"125472"	385.020902	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+2Cl"	69.938804
"565434"	560.046652	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+2Cl"	69.938804
"1036376"	209.995152	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2Cl"	69.938804
"1256685"	428.970385	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Br"	78.918885
"1310744"	431.026372	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Cl+HCOOH"	80.974872
"1326056"	453.008329	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Cl+NaCOOH"	102.956829
"917111"	463.037086	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M-H+CF3COOH"	112.985586
"1293820"	499.013764	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Cl+CF3COOH"	148.962264
"1373071"	315.038824	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H-2H2O"	-35.012676
"1389476"	333.0488	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H-H2O"	-17.0027
"293536"	701.110276	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+H"	1.007276
"687780"	1051.161776	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+H"	1.007276
"1355020"	351.058776	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H"	1.007276
"128274"	351.058776	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+2H"	2.014552
"576223"	526.084526	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+2H"	2.014552
"1048668"	176.033026	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2H"	2.014552
"219003"	234.374942666667	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+3H"	3.021828
"655038"	351.058776	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+3H"	3.021828
"1170246"	117.691109333333	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+3H"	3.021828
"435705"	718.136823	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+NH4"	18.033823
"790139"	1068.188323	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+NH4"	18.033823
"1687564"	368.085323	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+NH4"	18.033823
"338031"	359.5720495	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+H+NH4"	19.041099
"732639"	534.5977995	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+H+NH4"	19.041099
"1481719"	184.5462995	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H+NH4"	19.041099
"405144"	723.092218	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+Na"	22.989218
"769183"	1073.143718	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+Na"	22.989218
"1616432"	373.040718	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Na"	22.989218
"327564"	362.049747	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+H+Na"	23.996494
"719983"	537.075497	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+H+Na"	23.996494
"1472711"	187.023997	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H+Na"	23.996494
"1062674"	125.018423333333	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2H+Na"	25.00377
"1268724"	383.084986	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+CH3OH+H"	33.033486
"389490"	739.066158	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+K"	38.963158
"740645"	1089.117658	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+K"	38.963158
"1544886"	389.014658	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+K"	38.963158
"302061"	370.036717	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+H+K"	39.970434
"698856"	545.062467	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+H+K"	39.970434
"1450490"	195.010967	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H+K"	39.970434
"241278"	742.136826	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+ACN+H"	42.033826
"1217266"	392.085326	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+ACN+H"	42.033826
"1201152"	196.546301	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+ACN+2H"	43.041102
"196208"	745.07416	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+2Na-H"	44.97116
"636861"	1095.12566	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+2Na-H"	44.97116
"1133076"	395.02266	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2Na-H"	44.97116
"182566"	373.040718	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+2Na"	45.978436
"622131"	548.066468	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+2Na"	45.978436
"1126730"	198.014968	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2Na"	45.978436
"1409889"	132.345737333333	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H+2Na"	46.985712
"1444919"	397.064246	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H+HCOOH"	47.012746
"230971"	378.07374	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+3H2O+2H"	56.04448
"1516845"	411.11629	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+IsoProp+H"	61.06479
"418720"	381.027688	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+Na+K"	61.952376
"777527"	556.053438	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+Na+K"	61.952376
"1668396"	206.001938	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Na+K"	61.952376
"254916"	764.118768	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+ACN+Na"	64.015768
"1229811"	414.067268	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+ACN+Na"	64.015768
"1717605"	414.090793	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+NH4+HCOOH"	64.039293
"1184050"	139.673051333333	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+3Na"	68.967654
"1653946"	419.046188	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Na+HCOOH"	68.994688
"164090"	777.02204	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+2K-H"	76.91904
"603653"	1127.07354	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+2K-H"	76.91904
"1095822"	426.97054	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2K-H"	76.91904
"150451"	389.014658	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"2M+2K"	77.926316
"594385"	564.040408	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"3M+2K"	77.926316
"1083029"	213.988908	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2K"	77.926316
"1112106"	428.985092	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2K+H"	78.933592
"1346303"	429.072707	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+DMSO+H"	79.021207
"1018115"	433.111876	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2ACN+H"	83.060376
"1536239"	434.105508	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+IsoProp+Na+H"	84.054008
"1004634"	217.059576	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+2ACN+2H"	84.067652
"1601565"	435.020128	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+K+HCOOH"	84.968628
"1422853"	465.051638	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+H+CF3COOH"	115.000138
"1150953"	237.572851	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+3ACN+2H"	125.094202
"1702691"	482.078185	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+NH4+CF3COOH"	132.026685
"1643808"	487.03358	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+Na+CF3COOH"	136.98208
"1576180"	503.00752	"C08429"	"Clitidine 5-phosphate;14-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid"	"C11H15N2O9P"	"350.0515"	"M+K+CF3COOH"	152.95602
"812013"	305.0859	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M"	0
"974975"	286.06751	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-H2O-H"	-19.01839
"63454"	202.383324	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M-3H"	-3.021828
"503505"	304.078624	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M-3H"	-3.021828
"880071"	100.688024	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-3H"	-3.021828
"1342"	304.078624	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M-2H"	-2.014552
"441629"	456.621574	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M-2H"	-2.014552
"821985"	151.535674	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-2H"	-2.014552
"82339"	609.164524	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M-H"	-1.007276
"522627"	914.250424	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M-H"	-1.007276
"898242"	304.078624	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-H"	-1.007276
"51524"	626.191071	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M-2H+NH4"	16.019271
"492909"	931.276971	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M-2H+NH4"	16.019271
"866337"	321.105171	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-2H+NH4"	16.019271
"33510"	631.146466	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M-2H+Na"	20.974666
"479268"	936.232366	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M-2H+Na"	20.974666
"852694"	326.060566	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-2H+Na"	20.974666
"1625514"	326.060566	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Na-2H"	20.974666
"106420"	322.066963	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M-H+Cl"	33.962126
"547073"	474.609913	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M-H+Cl"	33.962126
"941925"	169.524013	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-H+Cl"	33.962126
"277688"	645.141202	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+Cl"	34.969402
"661728"	950.227102	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+Cl"	34.969402
"1277412"	340.055302	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Cl"	34.969402
"23251"	647.120406	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M-2H+K"	36.948606
"461719"	952.206306	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M-2H+K"	36.948606
"839520"	342.034506	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-2H+K"	36.948606
"1559729"	342.034506	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+K-2H"	36.948606
"956363"	350.084094	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-H+HCOOH"	44.998194
"372025"	655.170001	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+HCOOH-H"	44.998201
"360772"	669.185651	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+Hac-H"	59.013851
"1508355"	364.099751	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Hac-H"	59.013851
"974123"	372.066051	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-H+NaCOOH"	66.980151
"125460"	340.055302	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+2Cl"	69.938804
"565256"	492.598252	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+2Cl"	69.938804
"1035754"	187.512352	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2Cl"	69.938804
"1255700"	384.004785	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Br"	78.918885
"1310852"	386.060772	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Cl+HCOOH"	80.974872
"1328352"	408.042729	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Cl+NaCOOH"	102.956829
"916128"	418.071486	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M-H+CF3COOH"	112.985586
"1293929"	454.048164	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Cl+CF3COOH"	148.962264
"1372090"	270.073224	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H-2H2O"	-35.012676
"1389586"	288.0832	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H-H2O"	-17.0027
"292553"	611.179076	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+H"	1.007276
"683881"	916.264976	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+H"	1.007276
"1352942"	306.093176	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H"	1.007276
"128749"	306.093176	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+2H"	2.014552
"568673"	458.636126	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+2H"	2.014552
"1045498"	153.550226	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2H"	2.014552
"218869"	204.397876	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+3H"	3.021828
"655148"	306.093176	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+3H"	3.021828
"1171449"	102.702576	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+3H"	3.021828
"434722"	628.205623	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+NH4"	18.033823
"790249"	933.291523	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+NH4"	18.033823
"1689862"	323.119723	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+NH4"	18.033823
"339234"	314.6064495	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+H+NH4"	19.041099
"729469"	467.1493995	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+H+NH4"	19.041099
"1479642"	162.0634995	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H+NH4"	19.041099
"405254"	633.161018	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+Na"	22.989218
"766255"	938.246918	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+Na"	22.989218
"1615448"	328.075118	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Na"	22.989218
"326578"	317.084147	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+H+Na"	23.996494
"717907"	469.627097	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+H+Na"	23.996494
"1470634"	164.541197	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H+Na"	23.996494
"1062786"	110.02989	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2H+Na"	25.00377
"1267740"	338.119386	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+CH3OH+H"	33.033486
"386318"	649.134958	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+K"	38.963158
"740754"	954.220858	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+K"	38.963158
"1544996"	344.049058	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+K"	38.963158
"301805"	325.071117	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+H+K"	39.970434
"697873"	477.614067	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+H+K"	39.970434
"1451693"	172.528167	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H+K"	39.970434
"242481"	652.205626	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+ACN+H"	42.033826
"1215190"	347.119726	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+ACN+H"	42.033826
"1202355"	174.063501	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+ACN+2H"	43.041102
"193039"	655.14296	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+2Na-H"	44.97116
"638065"	960.22886	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+2Na-H"	44.97116
"1133914"	350.05706	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2Na-H"	44.97116
"179396"	328.075118	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+2Na"	45.978436
"623334"	480.618068	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+2Na"	45.978436
"1125746"	175.532168	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2Na"	45.978436
"1411821"	117.357204	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H+2Na"	46.985712
"1442843"	352.098646	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H+HCOOH"	47.012746
"228895"	333.10814	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+3H2O+2H"	56.04448
"1520235"	366.15069	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+IsoProp+H"	61.06479
"416644"	336.062088	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+Na+K"	61.952376
"777639"	488.605038	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+Na+K"	61.952376
"1669234"	183.519138	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Na+K"	61.952376
"255026"	674.187568	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+ACN+Na"	64.015768
"1229922"	369.101668	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+ACN+Na"	64.015768
"1716623"	369.125193	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+NH4+HCOOH"	64.039293
"1183431"	124.684518	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+3Na"	68.967654
"1653327"	374.080588	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Na+HCOOH"	68.994688
"163107"	687.09084	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+2K-H"	76.91904
"605949"	992.17674	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+2K-H"	76.91904
"1095932"	382.00494	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2K-H"	76.91904
"151654"	344.049058	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"2M+2K"	77.926316
"594375"	496.592008	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"3M+2K"	77.926316
"1083870"	191.506108	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2K"	77.926316
"1113918"	384.019492	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2K+H"	78.933592
"1346412"	384.107107	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+DMSO+H"	79.021207
"1016038"	388.146276	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2ACN+H"	83.060376
"1536349"	389.139908	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+IsoProp+Na+H"	84.054008
"1004865"	194.576776	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+2ACN+2H"	84.067652
"1601554"	390.054528	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+K+HCOOH"	84.968628
"1429524"	420.086038	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+H+CF3COOH"	115.000138
"1151063"	215.090051	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+3ACN+2H"	125.094202
"1702801"	437.112585	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+NH4+CF3COOH"	132.026685
"1643918"	442.06798	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+Na+CF3COOH"	136.98208
"1576290"	458.04192	"C08430"	"Convicine"	"C10H15N3O8"	"305.0859"	"M+K+CF3COOH"	152.95602
"812123"	251.1018	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M"	0
"975447"	232.08341	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H2O-H"	-19.01839
"64051"	166.393924	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-3H"	-3.021828
"505436"	250.094524	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-3H"	-3.021828
"883602"	82.693324	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-3H"	-3.021828
"3275"	250.094524	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H"	-2.014552
"443926"	375.645424	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H"	-2.014552
"822824"	124.543624	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H"	-2.014552
"83178"	501.196324	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-H"	-1.007276
"521278"	752.298124	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-H"	-1.007276
"898350"	250.094524	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H"	-1.007276
"54185"	518.222871	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+NH4"	16.019271
"494113"	769.324671	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+NH4"	16.019271
"866811"	267.121071	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+NH4"	16.019271
"35806"	523.178266	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+Na"	20.974666
"480471"	774.280066	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+Na"	20.974666
"850617"	272.076466	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+Na"	20.974666
"1628903"	272.076466	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na-2H"	20.974666
"104344"	268.082863	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-H+Cl"	33.962126
"543904"	393.633763	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-H+Cl"	33.962126
"939606"	142.531963	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+Cl"	33.962126
"278893"	537.173002	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Cl"	34.969402
"660866"	788.274802	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Cl"	34.969402
"1276429"	286.071202	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl"	34.969402
"25548"	539.152206	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M-2H+K"	36.948606
"462923"	790.254006	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M-2H+K"	36.948606
"837444"	288.050406	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-2H+K"	36.948606
"1562026"	288.050406	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K-2H"	36.948606
"955380"	296.099994	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+HCOOH"	44.998194
"374323"	547.201801	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+HCOOH-H"	44.998201
"358576"	561.217451	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Hac-H"	59.013851
"1507540"	310.115651	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Hac-H"	59.013851
"973860"	318.081951	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+NaCOOH"	66.980151
"124960"	286.071202	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Cl"	69.938804
"565531"	411.622102	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Cl"	69.938804
"1035136"	160.520302	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Cl"	69.938804
"1255693"	330.020685	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Br"	78.918885
"1312056"	332.076672	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+HCOOH"	80.974872
"1329557"	354.058629	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+NaCOOH"	102.956829
"918428"	364.087386	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M-H+CF3COOH"	112.985586
"1294041"	400.064064	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Cl+CF3COOH"	148.962264
"1372200"	216.089124	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H-2H2O"	-35.012676
"1387510"	234.0991	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H-H2O"	-17.0027
"294849"	503.210876	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H"	1.007276
"688368"	754.312676	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H"	1.007276
"1357064"	252.109076	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H"	1.007276
"129953"	252.109076	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2H"	2.014552
"569512"	377.659976	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2H"	2.014552
"1045608"	126.558176	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2H"	2.014552
"217520"	168.408476	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+3H"	3.021828
"653435"	252.109076	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+3H"	3.021828
"1172652"	84.707876	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3H"	3.021828
"435925"	520.237423	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+NH4"	18.033823
"792546"	771.339223	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+NH4"	18.033823
"1685596"	269.135623	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4"	18.033823
"339344"	260.6223495	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+NH4"	19.041099
"730672"	386.1732495	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+NH4"	19.041099
"1479388"	135.0714495	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+NH4"	19.041099
"406823"	525.192818	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Na"	22.989218
"769526"	776.294618	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Na"	22.989218
"1616287"	274.091018	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na"	22.989218
"325597"	263.100047	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+Na"	23.996494
"718017"	388.650947	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+Na"	23.996494
"1472931"	137.549147	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+Na"	23.996494
"1062896"	92.03519	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2H+Na"	25.00377
"1271130"	284.135286	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+CH3OH+H"	33.033486
"386428"	541.166758	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+K"	38.963158
"741229"	792.268558	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+K"	38.963158
"1544013"	290.064958	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K"	38.963158
"300095"	271.087017	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+H+K"	39.970434
"697983"	396.637917	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+H+K"	39.970434
"1451804"	145.536117	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+K"	39.970434
"242590"	544.237426	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+ACN+H"	42.033826
"1216393"	293.135626	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+H"	42.033826
"1201372"	147.071451	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+2H"	43.041102
"194242"	547.17476	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Na-H"	44.97116
"634895"	798.27656	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Na-H"	44.97116
"1135483"	296.07296	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Na-H"	44.97116
"178412"	274.091018	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2Na"	45.978436
"624538"	399.641918	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2Na"	45.978436
"1126587"	148.540118	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2Na"	45.978436
"1411569"	99.362504	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+2Na"	46.985712
"1443319"	298.114546	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+HCOOH"	47.012746
"230098"	279.12404	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+3H2O+2H"	56.04448
"1520345"	312.16659	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+IsoProp+H"	61.06479
"418942"	282.077988	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+Na+K"	61.952376
"778845"	407.628888	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+Na+K"	61.952376
"1673719"	156.527088	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+K"	61.952376
"260239"	566.219368	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+ACN+Na"	64.015768
"1232220"	315.117568	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+ACN+Na"	64.015768
"1718920"	315.141093	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4+HCOOH"	64.039293
"1182085"	106.689818	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3Na"	68.967654
"1652344"	320.096488	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+HCOOH"	68.994688
"161030"	579.12264	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2K-H"	76.91904
"602781"	830.22444	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2K-H"	76.91904
"1091668"	328.02084	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K-H"	76.91904
"155048"	290.064958	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"2M+2K"	77.926316
"596188"	415.615858	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"3M+2K"	77.926316
"1083496"	164.514058	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K"	77.926316
"1110139"	330.035392	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2K+H"	78.933592
"1347615"	330.123007	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+DMSO+H"	79.021207
"1017240"	334.162176	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2ACN+H"	83.060376
"1532084"	335.155808	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+IsoProp+Na+H"	84.054008
"998534"	167.584726	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+2ACN+2H"	84.067652
"1599598"	336.070428	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K+HCOOH"	84.968628
"1425260"	366.101938	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+H+CF3COOH"	115.000138
"1150080"	188.098001	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+3ACN+2H"	125.094202
"1704005"	383.128485	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+NH4+CF3COOH"	132.026685
"1640747"	388.08388	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+Na+CF3COOH"	136.98208
"1576400"	404.05782	"C08431"	"Cordycepin;3-Deoxyadenosine"	"C10H13N5O3"	"251.1018"	"M+K+CF3COOH"	152.95602
"812233"	283.0917	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M"	0
"978110"	264.07331	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-H2O-H"	-19.01839
"65255"	187.720524	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M-3H"	-3.021828
"507004"	282.084424	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M-3H"	-3.021828
"884807"	93.356624	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-3H"	-3.021828
"3383"	282.084424	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M-2H"	-2.014552
"446224"	423.630274	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M-2H"	-2.014552
"822934"	140.538574	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-2H"	-2.014552
"82924"	565.176124	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M-H"	-1.007276
"520295"	848.267824	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M-H"	-1.007276
"898826"	282.084424	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-H"	-1.007276
"51744"	582.202671	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M-2H+NH4"	16.019271
"490212"	865.294371	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M-2H+NH4"	16.019271
"868014"	299.110971	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-2H+NH4"	16.019271
"35552"	587.158066	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M-2H+Na"	20.974666
"480581"	870.249766	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M-2H+Na"	20.974666
"852185"	304.066366	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-2H+Na"	20.974666
"1629013"	304.066366	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Na-2H"	20.974666
"107734"	300.072763	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M-H+Cl"	33.962126
"546200"	441.618613	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M-H+Cl"	33.962126
"940809"	158.526913	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-H+Cl"	33.962126
"281189"	601.152802	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+Cl"	34.969402
"660852"	884.244502	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+Cl"	34.969402
"1274352"	318.061102	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Cl"	34.969402
"26751"	603.132006	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M-2H+K"	36.948606
"463033"	886.223706	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M-2H+K"	36.948606
"836460"	320.040306	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-2H+K"	36.948606
"1562136"	320.040306	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+K-2H"	36.948606
"956947"	328.089894	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-H+HCOOH"	44.998194
"374796"	611.181601	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+HCOOH-H"	44.998201
"359413"	625.197251	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+Hac-H"	59.013851
"1508015"	342.105551	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Hac-H"	59.013851
"973121"	350.071851	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-H+NaCOOH"	66.980151
"125436"	318.061102	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+2Cl"	69.938804
"564262"	459.606952	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+2Cl"	69.938804
"1035246"	176.515252	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2Cl"	69.938804
"1256045"	362.010585	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Br"	78.918885
"1315084"	364.066572	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Cl+HCOOH"	80.974872
"1332946"	386.048529	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Cl+NaCOOH"	102.956829
"920724"	396.077286	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M-H+CF3COOH"	112.985586
"1293058"	432.053964	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Cl+CF3COOH"	148.962264
"1371217"	248.079024	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H-2H2O"	-35.012676
"1388714"	266.089	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H-H2O"	-17.0027
"291679"	567.190676	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+H"	1.007276
"685562"	850.282376	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+H"	1.007276
"1354988"	284.098976	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H"	1.007276
"128969"	284.098976	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+2H"	2.014552
"569622"	425.644826	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+2H"	2.014552
"1046446"	142.553126	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2H"	2.014552
"212888"	189.735076	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+3H"	3.021828
"655002"	284.098976	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+3H"	3.021828
"1171305"	95.371176	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+3H"	3.021828
"433484"	584.217223	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+NH4"	18.033823
"787188"	867.308923	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+NH4"	18.033823
"1681814"	301.125523	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+NH4"	18.033823
"331063"	292.6122495	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+H+NH4"	19.041099
"724459"	434.1580995	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+H+NH4"	19.041099
"1482410"	151.0663995	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H+NH4"	19.041099
"404381"	589.172618	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+Na"	22.989218
"769911"	872.264318	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+Na"	22.989218
"1617370"	306.080918	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Na"	22.989218
"326800"	295.089947	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+H+Na"	23.996494
"721165"	436.635797	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+H+Na"	23.996494
"1475226"	153.544097	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H+Na"	23.996494
"1067380"	102.69849	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2H+Na"	25.00377
"1266870"	316.125186	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+CH3OH+H"	33.033486
"382166"	605.146558	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+K"	38.963158
"743163"	888.238258	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+K"	38.963158
"1543029"	322.054858	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+K"	38.963158
"300933"	303.076917	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+H+K"	39.970434
"695906"	444.622767	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+H+K"	39.970434
"1450821"	161.531067	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H+K"	39.970434
"244889"	608.217226	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+ACN+H"	42.033826
"1219785"	325.125526	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+ACN+H"	42.033826
"1201482"	163.066401	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+ACN+2H"	43.041102
"193258"	611.15456	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+2Na-H"	44.97116
"631725"	894.24626	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+2Na-H"	44.97116
"1137416"	328.06286	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2Na-H"	44.97116
"176335"	306.080918	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+2Na"	45.978436
"624284"	447.626768	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+2Na"	45.978436
"1125966"	164.535068	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2Na"	45.978436
"1409488"	110.025804	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H+2Na"	46.985712
"1439417"	330.104446	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H+HCOOH"	47.012746
"232759"	311.11394	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+3H2O+2H"	56.04448
"1518266"	344.15649	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+IsoProp+H"	61.06479
"417959"	314.067888	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+Na+K"	61.952376
"780048"	455.613738	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+Na+K"	61.952376
"1676016"	172.522038	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Na+K"	61.952376
"260349"	630.199168	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+ACN+Na"	64.015768
"1231237"	347.107468	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+ACN+Na"	64.015768
"1719030"	347.130993	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+NH4+HCOOH"	64.039293
"1183288"	117.353118	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+3Na"	68.967654
"1654278"	352.086388	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Na+HCOOH"	68.994688
"161140"	643.10244	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+2K-H"	76.91904
"607263"	926.19414	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+2K-H"	76.91904
"1092870"	360.01074	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2K-H"	76.91904
"148594"	322.054858	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"2M+2K"	77.926316
"591436"	463.600708	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"3M+2K"	77.926316
"1081415"	180.509008	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2K"	77.926316
"1108061"	362.025292	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2K+H"	78.933592
"1338977"	362.112907	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+DMSO+H"	79.021207
"1010787"	366.152076	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2ACN+H"	83.060376
"1530007"	367.145708	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+IsoProp+Na+H"	84.054008
"997550"	183.579676	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+2ACN+2H"	84.067652
"1599708"	368.060328	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+K+HCOOH"	84.968628
"1426462"	398.091838	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+H+CF3COOH"	115.000138
"1157845"	204.092951	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+3ACN+2H"	125.094202
"1703021"	415.118385	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+NH4+CF3COOH"	132.026685
"1637577"	420.07378	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+Na+CF3COOH"	136.98208
"1576510"	436.04772	"C08432"	"Isoguanosine;Crotonoside"	"C10H13N5O5"	"283.0917"	"M+K+CF3COOH"	152.95602
"811250"	716.3574	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M"	0
"977127"	697.33901	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-H2O-H"	-19.01839
"66459"	476.564324	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M-3H"	-3.021828
"504928"	715.350124	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M-3H"	-3.021828
"882732"	237.778524	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-3H"	-3.021828
"1307"	715.350124	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M-2H"	-2.014552
"444146"	1073.528824	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M-2H"	-2.014552
"823045"	357.171424	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-2H"	-2.014552
"81941"	1431.707524	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M-H"	-1.007276
"520404"	2148.064924	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M-H"	-1.007276
"897476"	715.350124	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-H"	-1.007276
"53677"	1448.734071	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M-2H+NH4"	16.019271
"489958"	2165.091471	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M-2H+NH4"	16.019271
"867031"	732.376671	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-2H+NH4"	16.019271
"37120"	1453.689466	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M-2H+Na"	20.974666
"473398"	2170.046866	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M-2H+Na"	20.974666
"850837"	737.332066	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-2H+Na"	20.974666
"1623657"	737.332066	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Na-2H"	20.974666
"102376"	733.338463	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M-H+Cl"	33.962126
"541936"	1091.517163	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M-H+Cl"	33.962126
"938732"	375.159763	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-H+Cl"	33.962126
"277289"	1467.684202	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+Cl"	34.969402
"670802"	2184.041602	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+Cl"	34.969402
"1273363"	751.326802	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Cl"	34.969402
"18113"	1469.663406	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M-2H+K"	36.948606
"463143"	2186.020806	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M-2H+K"	36.948606
"833532"	753.306006	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-2H+K"	36.948606
"1562246"	753.306006	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+K-2H"	36.948606
"958070"	761.355594	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-H+HCOOH"	44.998194
"375635"	1477.713001	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+HCOOH-H"	44.998201
"360251"	1491.728651	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+Hac-H"	59.013851
"1508000"	775.371251	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Hac-H"	59.013851
"973231"	783.337551	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-H+NaCOOH"	66.980151
"125510"	751.326802	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+2Cl"	69.938804
"564614"	1109.505502	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+2Cl"	69.938804
"1035356"	393.148102	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2Cl"	69.938804
"1256641"	795.276285	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Br"	78.918885
"1316652"	797.332272	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Cl+HCOOH"	80.974872
"1329776"	819.314229	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Cl+NaCOOH"	102.956829
"921928"	829.342986	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M-H+CF3COOH"	112.985586
"1295355"	865.319664	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Cl+CF3COOH"	148.962264
"1371692"	681.344724	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H-2H2O"	-35.012676
"1388824"	699.3547	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H-H2O"	-17.0027
"289602"	1433.722076	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+H"	1.007276
"686036"	2150.079476	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+H"	1.007276
"1362024"	717.364676	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H"	1.007276
"129080"	717.364676	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+2H"	2.014552
"569003"	1075.543376	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+2H"	2.014552
"1046192"	359.185976	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2H"	2.014552
"211905"	478.578876	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+3H"	3.021828
"654747"	717.364676	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+3H"	3.021828
"1173966"	239.793076	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+3H"	3.021828
"433958"	1450.748623	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+NH4"	18.033823
"787298"	2167.106023	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+NH4"	18.033823
"1681338"	734.391223	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+NH4"	18.033823
"330200"	725.8779495	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+H+NH4"	19.041099
"724448"	1084.0566495	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+H+NH4"	19.041099
"1479240"	367.6992495	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H+NH4"	19.041099
"407407"	1455.704018	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+Na"	22.989218
"769814"	2172.061418	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+Na"	22.989218
"1615779"	739.346618	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Na"	22.989218
"325817"	728.355647	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+H+Na"	23.996494
"720423"	1086.534347	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+H+Na"	23.996494
"1473881"	370.176947	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H+Na"	23.996494
"1066035"	247.12039	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2H+Na"	25.00377
"1268075"	749.390886	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+CH3OH+H"	33.033486
"385558"	1471.677958	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+K"	38.963158
"742179"	2188.035358	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+K"	38.963158
"1544232"	755.320558	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+K"	38.963158
"303594"	736.342617	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+H+K"	39.970434
"697110"	1094.521317	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+H+K"	39.970434
"1454212"	378.163917	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H+K"	39.970434
"243906"	1474.748626	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+ACN+H"	42.033826
"1213332"	758.391226	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+ACN+H"	42.033826
"1201592"	379.699251	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+ACN+2H"	43.041102
"191182"	1477.68596	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+2Na-H"	44.97116
"631835"	2194.04336	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+2Na-H"	44.97116
"1134974"	761.32856	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2Na-H"	44.97116
"176445"	739.346618	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+2Na"	45.978436
"624392"	1097.525318	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+2Na"	45.978436
"1122065"	381.167918	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2Na"	45.978436
"1406318"	254.447704	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H+2Na"	46.985712
"1440256"	763.370146	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H+HCOOH"	47.012746
"231410"	744.37964	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+3H2O+2H"	56.04448
"1518376"	777.42219	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+IsoProp+H"	61.06479
"416974"	747.333588	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+Na+K"	61.952376
"779063"	1105.512288	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+Na+K"	61.952376
"1675398"	389.154888	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Na+K"	61.952376
"260824"	1496.730568	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+ACN+Na"	64.015768
"1231346"	780.373168	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+ACN+Na"	64.015768
"1719140"	780.396693	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+NH4+HCOOH"	64.039293
"1181212"	261.775018	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+3Na"	68.967654
"1653295"	785.352088	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Na+HCOOH"	68.994688
"161250"	1509.63384	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+2K-H"	76.91904
"606281"	2225.99124	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+2K-H"	76.91904
"1092981"	793.27644	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2K-H"	76.91904
"148704"	755.320558	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"2M+2K"	77.926316
"591546"	1113.499258	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"3M+2K"	77.926316
"1078245"	397.141858	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2K"	77.926316
"1108171"	795.290992	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2K+H"	78.933592
"1337265"	795.378607	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+DMSO+H"	79.021207
"1007617"	799.417776	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2ACN+H"	83.060376
"1530117"	800.411408	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+IsoProp+Na+H"	84.054008
"997660"	400.212526	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+2ACN+2H"	84.067652
"1599818"	801.326028	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+K+HCOOH"	84.968628
"1425479"	831.357538	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+H+CF3COOH"	115.000138
"1157955"	420.725801	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+3ACN+2H"	125.094202
"1703131"	848.384085	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+NH4+CF3COOH"	132.026685
"1637687"	853.33948	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+Na+CF3COOH"	136.98208
"1576620"	869.31342	"C08433"	"Amataine;Subssesiline"	"C43H48N4O6"	"716.3574"	"M+K+CF3COOH"	152.95602
"809173"	149.0701	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M"	0
"976144"	130.05171	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-H2O-H"	-19.01839
"65475"	98.3727906666667	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M-3H"	-3.021828
"506132"	148.062824	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M-3H"	-3.021828
"882842"	48.6827573333333	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-3H"	-3.021828
"3604"	148.062824	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H"	-2.014552
"444256"	222.597874	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H"	-2.014552
"823155"	73.527774	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H"	-2.014552
"87519"	297.132924	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H"	-1.007276
"521610"	446.203024	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H"	-1.007276
"901599"	148.062824	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-H"	-1.007276
"55974"	314.159471	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+NH4"	16.019271
"495536"	463.229571	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+NH4"	16.019271
"869693"	165.089371	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+NH4"	16.019271
"40146"	319.114866	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+Na"	20.974666
"477520"	468.184966	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+Na"	20.974666
"851311"	170.044766	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+Na"	20.974666
"1629234"	170.044766	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na-2H"	20.974666
"103579"	166.051163	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M-H+Cl"	33.962126
"545327"	240.586213	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M-H+Cl"	33.962126
"939936"	91.516113	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+Cl"	33.962126
"278495"	333.109602	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Cl"	34.969402
"673101"	482.179702	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Cl"	34.969402
"1273069"	184.039502	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl"	34.969402
"19316"	335.088806	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M-2H+K"	36.948606
"458876"	484.158906	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M-2H+K"	36.948606
"834491"	186.018706	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-2H+K"	36.948606
"1562356"	186.018706	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+K-2H"	36.948606
"958248"	194.068294	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+HCOOH"	44.998194
"372829"	343.138401	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+HCOOH-H"	44.998201
"358538"	357.154051	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Hac-H"	59.013851
"1507014"	208.083951	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Hac-H"	59.013851
"972733"	216.050251	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+NaCOOH"	66.980151
"125703"	184.039502	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Cl"	69.938804
"565593"	258.574552	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Cl"	69.938804
"1036947"	109.504452	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Cl"	69.938804
"1256264"	227.988985	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Br"	78.918885
"1315667"	230.044972	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+HCOOH"	80.974872
"1328793"	252.026929	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+NaCOOH"	102.956829
"919852"	262.055686	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M-H+CF3COOH"	112.985586
"1294372"	298.032364	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Cl+CF3COOH"	148.962264
"1373625"	114.057424	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-2H2O"	-35.012676
"1391121"	132.0674	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H-H2O"	-17.0027
"289712"	299.147476	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H"	1.007276
"686509"	448.217576	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H"	1.007276
"1363593"	150.077376	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H"	1.007276
"131377"	150.077376	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2H"	2.014552
"568750"	224.612426	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2H"	2.014552
"1046302"	75.542326	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H"	2.014552
"210922"	100.387342666667	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H"	3.021828
"653764"	150.077376	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+3H"	3.021828
"1170796"	50.6973093333333	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+3H"	3.021828
"431882"	316.174023	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+NH4"	18.033823
"785864"	465.244123	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+NH4"	18.033823
"1681544"	167.103923	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4"	18.033823
"330307"	158.5906495	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+NH4"	19.041099
"723948"	233.1256995	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+NH4"	19.041099
"1479348"	84.0555995	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+NH4"	19.041099
"401322"	321.129418	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na"	22.989218
"768758"	470.199518	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na"	22.989218
"1617347"	172.059318	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na"	22.989218
"328114"	161.068347	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+Na"	23.996494
"721264"	235.603397	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+Na"	23.996494
"1474356"	86.533297	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+Na"	23.996494
"1066145"	58.0246233333333	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2H+Na"	25.00377
"1271466"	182.103586	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+CH3OH+H"	33.033486
"388949"	337.103358	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+K"	38.963158
"744477"	486.173458	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+K"	38.963158
"1547623"	188.033258	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+K"	38.963158
"308076"	169.055317	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+H+K"	39.970434
"700498"	243.590367	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+H+K"	39.970434
"1452133"	94.520267	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+K"	39.970434
"244016"	340.174026	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+H"	42.033826
"1212348"	191.103926	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+H"	42.033826
"1195498"	96.055601	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+2H"	43.041102
"191292"	343.11136	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na-H"	44.97116
"629755"	492.18146	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na-H"	44.97116
"1132286"	194.04126	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na-H"	44.97116
"173022"	172.059318	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2Na"	45.978436
"621584"	246.594368	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2Na"	45.978436
"1124362"	97.524268	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2Na"	45.978436
"1406428"	65.3519373333333	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+2Na"	46.985712
"1440366"	196.082846	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+HCOOH"	47.012746
"231884"	177.09234	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+3H2O+2H"	56.04448
"1517393"	210.13489	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+H"	61.06479
"413799"	180.046288	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+Na+K"	61.952376
"770542"	254.581338	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+Na+K"	61.952376
"1674412"	105.511238	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+K"	61.952376
"256559"	362.155968	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+ACN+Na"	64.015768
"1232549"	213.085868	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+ACN+Na"	64.015768
"1720343"	213.109393	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+HCOOH"	64.039293
"1179132"	72.6792513333333	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+3Na"	68.967654
"1651582"	218.064788	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+HCOOH"	68.994688
"159174"	375.05924	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K-H"	76.91904
"606391"	524.12934	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K-H"	76.91904
"1093455"	225.98914	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K-H"	76.91904
"148814"	188.033258	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"2M+2K"	77.926316
"591656"	262.568308	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"3M+2K"	77.926316
"1079448"	113.498208	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K"	77.926316
"1108281"	228.003692	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2K+H"	78.933592
"1337011"	228.091307	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+DMSO+H"	79.021207
"1009913"	232.130476	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+H"	83.060376
"1529134"	233.124108	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+IsoProp+Na+H"	84.054008
"998863"	116.568876	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+2ACN+2H"	84.067652
"1599928"	234.038728	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+HCOOH"	84.968628
"1426682"	264.070238	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+H+CF3COOH"	115.000138
"1158065"	137.082151	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+3ACN+2H"	125.094202
"1703241"	281.096785	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+NH4+CF3COOH"	132.026685
"1637797"	286.05218	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+Na+CF3COOH"	136.98208
"1576730"	302.02612	"C08434"	"6-Methylaminopurine;N6-Methyladenine"	"C6H7N5"	"149.0701"	"M+K+CF3COOH"	152.95602
"809283"	203.1171	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M"	0
"976254"	184.09871	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-H2O-H"	-19.01839
"67773"	134.404124	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M-3H"	-3.021828
"506243"	202.109824	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M-3H"	-3.021828
"885139"	66.698424	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-3H"	-3.021828
"4808"	202.109824	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M-2H"	-2.014552
"449833"	303.668374	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M-2H"	-2.014552
"823266"	100.551274	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-2H"	-2.014552
"91639"	405.226924	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M-H"	-1.007276
"525000"	608.344024	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M-H"	-1.007276
"907176"	202.109824	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-H"	-1.007276
"57177"	422.253471	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M-2H+NH4"	16.019271
"493459"	625.370571	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M-2H+NH4"	16.019271
"874542"	219.136371	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-2H+NH4"	16.019271
"39892"	427.208866	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M-2H+Na"	20.974666
"477630"	630.325966	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M-2H+Na"	20.974666
"850328"	224.091766	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-2H+Na"	20.974666
"1629345"	224.091766	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Na-2H"	20.974666
"108549"	220.098163	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M-H+Cl"	33.962126
"539967"	321.656713	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M-H+Cl"	33.962126
"940045"	118.539613	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-H+Cl"	33.962126
"277508"	441.203602	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+Cl"	34.969402
"665553"	644.320702	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+Cl"	34.969402
"1273710"	238.086502	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Cl"	34.969402
"18333"	443.182806	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M-2H+K"	36.948606
"458986"	646.299906	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M-2H+K"	36.948606
"835695"	240.065706	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-2H+K"	36.948606
"1562466"	240.065706	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+K-2H"	36.948606
"957442"	248.115294	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-H+HCOOH"	44.998194
"370753"	451.232401	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+HCOOH-H"	44.998201
"358284"	465.248051	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+Hac-H"	59.013851
"1507124"	262.130951	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Hac-H"	59.013851
"972477"	270.097251	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-H+NaCOOH"	66.980151
"125157"	238.086502	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+2Cl"	69.938804
"564590"	339.645052	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+2Cl"	69.938804
"1035576"	136.527952	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2Cl"	69.938804
"1256490"	282.035985	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Br"	78.918885
"1319308"	284.091972	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Cl+HCOOH"	80.974872
"1328903"	306.073929	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Cl+NaCOOH"	102.956829
"919962"	316.102686	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M-H+CF3COOH"	112.985586
"1294482"	352.079364	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Cl+CF3COOH"	148.962264
"1375921"	168.104424	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H-2H2O"	-35.012676
"1394512"	186.1144	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H-H2O"	-17.0027
"296020"	407.241476	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+H"	1.007276
"687712"	610.358576	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+H"	1.007276
"1362974"	204.124376	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H"	1.007276
"127476"	204.124376	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+2H"	2.014552
"571047"	305.682926	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+2H"	2.014552
"1046412"	102.565826	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2H"	2.014552
"211032"	136.418676	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+3H"	3.021828
"653510"	204.124376	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+3H"	3.021828
"1172729"	68.712976	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+3H"	3.021828
"429805"	424.268023	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+NH4"	18.033823
"786057"	627.385123	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+NH4"	18.033823
"1681658"	221.150923	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+NH4"	18.033823
"331029"	212.6376495	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+H+NH4"	19.041099
"727827"	314.1961995	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+H+NH4"	19.041099
"1480917"	111.0790995	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H+NH4"	19.041099
"402525"	429.223418	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+Na"	22.989218
"768383"	632.340518	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+Na"	22.989218
"1616485"	226.106318	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Na"	22.989218
"327131"	215.115347	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+H+Na"	23.996494
"719552"	316.673897	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+H+Na"	23.996494
"1475192"	113.556797	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H+Na"	23.996494
"1067345"	76.04029	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2H+Na"	25.00377
"1271091"	236.150586	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+CH3OH+H"	33.033486
"385778"	445.197358	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+K"	38.963158
"740576"	648.314458	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+K"	38.963158
"1545545"	242.080258	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+K"	38.963158
"305999"	223.102317	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+H+K"	39.970434
"696233"	324.660867	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+H+K"	39.970434
"1448961"	121.543767	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H+K"	39.970434
"235977"	448.268026	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+ACN+H"	42.033826
"1210141"	245.150926	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+ACN+H"	42.033826
"1194635"	123.079101	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+ACN+2H"	43.041102
"190430"	451.20536	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+2Na-H"	44.97116
"629989"	654.32246	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+2Na-H"	44.97116
"1131705"	248.08826	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2Na-H"	44.97116
"172964"	226.106318	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+2Na"	45.978436
"616227"	327.664868	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+2Na"	45.978436
"1118274"	124.547768	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2Na"	45.978436
"1407630"	83.367604	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H+2Na"	46.985712
"1437559"	250.129846	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H+HCOOH"	47.012746
"226162"	231.13934	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+3H2O+2H"	56.04448
"1517503"	264.18189	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+IsoProp+H"	61.06479
"412816"	234.093288	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+Na+K"	61.952376
"771991"	335.651838	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+Na+K"	61.952376
"1674522"	132.534738	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Na+K"	61.952376
"258855"	470.249968	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+ACN+Na"	64.015768
"1231566"	267.132868	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+ACN+Na"	64.015768
"1717171"	267.156393	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+NH4+HCOOH"	64.039293
"1179609"	90.694918	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+3Na"	68.967654
"1652421"	272.111788	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Na+HCOOH"	68.994688
"160377"	483.15324	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+2K-H"	76.91904
"603219"	686.27034	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+2K-H"	76.91904
"1092472"	280.03614	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2K-H"	76.91904
"148924"	242.080258	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"2M+2K"	77.926316
"586298"	343.638808	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"3M+2K"	77.926316
"1079558"	140.521708	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2K"	77.926316
"1105111"	282.050692	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2K+H"	78.933592
"1338214"	282.138307	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+DMSO+H"	79.021207
"1010023"	286.177476	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2ACN+H"	83.060376
"1529244"	287.171108	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+IsoProp+Na+H"	84.054008
"997879"	143.592376	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+2ACN+2H"	84.067652
"1596757"	288.085728	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+K+HCOOH"	84.968628
"1423512"	318.117238	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+H+CF3COOH"	115.000138
"1152707"	164.105651	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+3ACN+2H"	125.094202
"1703351"	335.143785	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+NH4+CF3COOH"	132.026685
"1634747"	340.09918	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+Na+CF3COOH"	136.98208
"1576840"	356.07312	"C08435"	"Triacanthine"	"C10H13N5"	"203.1171"	"M+K+CF3COOH"	152.95602
"810486"	304.1019	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M"	0
"976364"	285.08351	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-H2O-H"	-19.01839
"64604"	201.727324	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M-3H"	-3.021828
"509636"	303.094624	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M-3H"	-3.021828
"884155"	100.360024	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-3H"	-3.021828
"2731"	303.094624	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M-2H"	-2.014552
"448849"	455.145574	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M-2H"	-2.014552
"822281"	151.043674	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-2H"	-2.014552
"92842"	607.196524	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M-H"	-1.007276
"525110"	911.298424	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M-H"	-1.007276
"908379"	303.094624	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-H"	-1.007276
"57286"	624.223071	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M-2H+NH4"	16.019271
"492476"	928.324971	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M-2H+NH4"	16.019271
"875381"	320.121171	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-2H+NH4"	16.019271
"43647"	629.178466	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M-2H+Na"	20.974666
"481020"	933.280366	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M-2H+Na"	20.974666
"853355"	325.076566	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-2H+Na"	20.974666
"1630548"	325.076566	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Na-2H"	20.974666
"104890"	321.082963	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M-H+Cl"	33.962126
"542263"	473.133913	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M-H+Cl"	33.962126
"933590"	169.032013	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-H+Cl"	33.962126
"280897"	643.173202	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+Cl"	34.969402
"667849"	947.275102	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+Cl"	34.969402
"1274669"	339.071302	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Cl"	34.969402
"18443"	645.152406	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M-2H+K"	36.948606
"460189"	949.254306	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M-2H+K"	36.948606
"837991"	341.050506	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-2H+K"	36.948606
"1562576"	341.050506	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+K-2H"	36.948606
"958282"	349.100094	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-H+HCOOH"	44.998194
"371956"	653.202001	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+HCOOH-H"	44.998201
"358394"	667.217651	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+Hac-H"	59.013851
"1507234"	363.115751	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Hac-H"	59.013851
"971857"	371.082051	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-H+NaCOOH"	66.980151
"124538"	339.071302	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+2Cl"	69.938804
"564701"	491.122252	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+2Cl"	69.938804
"1035686"	187.020352	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2Cl"	69.938804
"1255875"	383.020785	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Br"	78.918885
"1318810"	385.076772	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Cl+HCOOH"	80.974872
"1332288"	407.058729	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Cl+NaCOOH"	102.956829
"921164"	417.087486	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M-H+CF3COOH"	112.985586
"1295685"	453.064164	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Cl+CF3COOH"	148.962264
"1377125"	269.089224	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H-2H2O"	-35.012676
"1394622"	287.0992	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H-H2O"	-17.0027
"295765"	609.211076	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+H"	1.007276
"688916"	913.312976	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+H"	1.007276
"1361625"	305.109176	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H"	1.007276
"128315"	305.109176	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+2H"	2.014552
"572250"	457.160126	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+2H"	2.014552
"1041051"	153.058226	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2H"	2.014552
"213328"	203.741876	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+3H"	3.021828
"655077"	305.109176	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+3H"	3.021828
"1173203"	102.374576	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+3H"	3.021828
"425174"	626.237623	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+NH4"	18.033823
"786164"	930.339523	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+NH4"	18.033823
"1682497"	322.135723	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+NH4"	18.033823
"332599"	313.6224495	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+H+NH4"	19.041099
"727937"	465.6733995	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+H+NH4"	19.041099
"1479568"	161.5714995	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H+NH4"	19.041099
"399353"	631.193018	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+Na"	22.989218
"768494"	935.294918	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+Na"	22.989218
"1615012"	327.091118	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Na"	22.989218
"329064"	316.100147	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+H+Na"	23.996494
"721608"	468.151097	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+H+Na"	23.996494
"1474572"	164.049197	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H+Na"	23.996494
"1066971"	109.70189	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2H+Na"	25.00377
"1271444"	337.135386	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+CH3OH+H"	33.033486
"383701"	647.166958	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+K"	38.963158
"740321"	951.268858	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+K"	38.963158
"1543468"	343.065058	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+K"	38.963158
"305016"	324.087117	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+H+K"	39.970434
"695252"	476.138067	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+H+K"	39.970434
"1450163"	172.036167	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H+K"	39.970434
"237306"	650.237626	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+ACN+H"	42.033826
"1210379"	346.135726	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+ACN+H"	42.033826
"1194422"	173.571501	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+ACN+2H"	43.041102
"191512"	653.17496	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+2Na-H"	44.97116
"633260"	957.27686	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+2Na-H"	44.97116
"1131422"	349.07306	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2Na-H"	44.97116
"173245"	327.091118	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+2Na"	45.978436
"617430"	479.142068	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+2Na"	45.978436
"1124583"	175.040168	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2Na"	45.978436
"1406647"	117.029204	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H+2Na"	46.985712
"1435483"	351.114646	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H+HCOOH"	47.012746
"229553"	332.12414	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+3H2O+2H"	56.04448
"1513240"	365.16669	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+IsoProp+H"	61.06479
"414019"	335.078088	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+Na+K"	61.952376
"770196"	487.129038	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+Na+K"	61.952376
"1666733"	183.027138	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Na+K"	61.952376
"258965"	672.219568	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+ACN+Na"	64.015768
"1231676"	368.117668	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+ACN+Na"	64.015768
"1717281"	368.141193	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+NH4+HCOOH"	64.039293
"1180083"	124.356518	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+3Na"	68.967654
"1652531"	373.096588	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Na+HCOOH"	68.994688
"160487"	685.12284	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+2K-H"	76.91904
"603329"	989.22474	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+2K-H"	76.91904
"1091488"	381.02094	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2K-H"	76.91904
"150127"	343.065058	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"2M+2K"	77.926316
"588593"	495.116008	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"3M+2K"	77.926316
"1078575"	191.014108	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2K"	77.926316
"1105221"	383.035492	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2K+H"	78.933592
"1340511"	383.123107	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+DMSO+H"	79.021207
"1011226"	387.162276	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2ACN+H"	83.060376
"1529349"	388.155908	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+IsoProp+Na+H"	84.054008
"995803"	194.084776	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+2ACN+2H"	84.067652
"1589210"	389.070528	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+K+HCOOH"	84.968628
"1423622"	419.102038	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+H+CF3COOH"	115.000138
"1156096"	214.598051	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+3ACN+2H"	125.094202
"1702367"	436.128585	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+NH4+CF3COOH"	132.026685
"1634160"	441.08398	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+Na+CF3COOH"	136.98208
"1576950"	457.05792	"C08437"	"Vicine"	"C10H16N4O7"	"304.1019"	"M+K+CF3COOH"	152.95602
"809504"	918.3542	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M"	0
"974434"	899.33581	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-H2O-H"	-19.01839
"63258"	611.228857333333	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M-3H"	-3.021828
"508653"	917.346924	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M-3H"	-3.021828
"885359"	305.110790666667	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-3H"	-3.021828
"2841"	917.346924	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M-2H"	-2.014552
"447866"	1376.524024	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M-2H"	-2.014552
"821298"	458.169824	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-2H"	-2.014552
"86755"	1835.701124	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M-H"	-1.007276
"526313"	2754.055324	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M-H"	-1.007276
"910192"	917.346924	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-H"	-1.007276
"56303"	1852.727671	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M-2H+NH4"	16.019271
"494772"	2771.081871	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M-2H+NH4"	16.019271
"875855"	934.373471	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-2H+NH4"	16.019271
"43756"	1857.683066	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M-2H+Na"	20.974666
"481130"	2776.037266	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M-2H+Na"	20.974666
"854558"	939.328866	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-2H+Na"	20.974666
"1630658"	939.328866	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Na-2H"	20.974666
"107187"	935.335263	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M-H+Cl"	33.962126
"544560"	1394.512363	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M-H+Cl"	33.962126
"933700"	476.158163	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-H+Cl"	33.962126
"279915"	1871.677802	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+Cl"	34.969402
"671239"	2790.032002	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+Cl"	34.969402
"1275995"	953.323602	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Cl"	34.969402
"19646"	1873.657006	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M-2H+K"	36.948606
"460299"	2792.011206	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M-2H+K"	36.948606
"837008"	955.302806	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-2H+K"	36.948606
"1562686"	955.302806	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+K-2H"	36.948606
"957012"	963.352394	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-H+HCOOH"	44.998194
"370973"	1881.706601	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+HCOOH-H"	44.998201
"358140"	1895.722251	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+Hac-H"	59.013851
"1506610"	977.368051	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Hac-H"	59.013851
"973061"	985.334351	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-H+NaCOOH"	66.980151
"125376"	953.323602	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+2Cl"	69.938804
"564810"	1412.500702	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+2Cl"	69.938804
"1036888"	494.146502	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2Cl"	69.938804
"1256956"	997.273085	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Br"	78.918885
"1317823"	999.329072	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Cl+HCOOH"	80.974872
"1333126"	1021.311029	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Cl+NaCOOH"	102.956829
"923826"	1031.339786	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M-H+CF3COOH"	112.985586
"1300169"	1067.316464	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Cl+CF3COOH"	148.962264
"1378694"	883.341524	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H-2H2O"	-35.012676
"1395828"	901.3515	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H-H2O"	-17.0027
"296605"	1837.715676	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+H"	1.007276
"691140"	2756.069876	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+H"	1.007276
"1362099"	919.361476	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H"	1.007276
"133891"	919.361476	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+2H"	2.014552
"571263"	1378.538576	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+2H"	2.014552
"1044441"	460.184376	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2H"	2.014552
"205784"	613.243409333333	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+3H"	3.021828
"647532"	919.361476	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+3H"	3.021828
"1171126"	307.125342666667	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+3H"	3.021828
"424353"	1854.742223	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+NH4"	18.033823
"786155"	2773.096423	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+NH4"	18.033823
"1682608"	936.388023	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+NH4"	18.033823
"335625"	927.8747495	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+H+NH4"	19.041099
"729141"	1387.0518495	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+H+NH4"	19.041099
"1479314"	468.6976495	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H+NH4"	19.041099
"399463"	1859.697618	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+Na"	22.989218
"769454"	2778.051818	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+Na"	22.989218
"1617798"	941.343418	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Na"	22.989218
"329420"	930.352447	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+H+Na"	23.996494
"722613"	1389.529547	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+H+Na"	23.996494
"1476141"	471.175347	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H+Na"	23.996494
"1068323"	314.452656666667	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2H+Na"	25.00377
"1271432"	951.387686	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+CH3OH+H"	33.033486
"392438"	1875.671558	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+K"	38.963158
"741526"	2794.025758	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+K"	38.963158
"1543943"	957.317358	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+K"	38.963158
"302942"	938.339417	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+H+K"	39.970434
"698642"	1397.516517	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+H+K"	39.970434
"1450275"	479.162317	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H+K"	39.970434
"239969"	1878.742226	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+ACN+H"	42.033826
"1213771"	960.388026	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+ACN+H"	42.033826
"1203128"	480.697651	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+ACN+2H"	43.041102
"197092"	1881.67956	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+2Na-H"	44.97116
"633371"	2800.03376	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+2Na-H"	44.97116
"1137969"	963.32536	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2Na-H"	44.97116
"180165"	941.343418	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+2Na"	45.978436
"622281"	1400.520518	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+2Na"	45.978436
"1127249"	482.166318	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2Na"	45.978436
"1404573"	321.779970666667	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H+2Na"	46.985712
"1441063"	965.366946	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H+HCOOH"	47.012746
"227476"	946.37644	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+3H2O+2H"	56.04448
"1513350"	979.41899	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+IsoProp+H"	61.06479
"416318"	949.330388	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+Na+K"	61.952376
"771847"	1408.507488	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+Na+K"	61.952376
"1674744"	490.153288	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Na+K"	61.952376
"256893"	1900.724168	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+ACN+Na"	64.015768
"1227413"	982.369968	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+ACN+Na"	64.015768
"1715206"	982.393493	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+NH4+HCOOH"	64.039293
"1179103"	329.107284666667	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+3Na"	68.967654
"1651548"	987.348888	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Na+HCOOH"	68.994688
"164972"	1913.62744	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+2K-H"	76.91904
"602346"	2831.98164	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+2K-H"	76.91904
"1093422"	995.27324	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2K-H"	76.91904
"153517"	957.317358	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"2M+2K"	77.926316
"585788"	1416.494458	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"3M+2K"	77.926316
"1079778"	498.140258	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2K"	77.926316
"1105332"	997.287792	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2K+H"	78.933592
"1336490"	997.375407	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+DMSO+H"	79.021207
"1007329"	1001.414576	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2ACN+H"	83.060376
"1527278"	1002.408208	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+IsoProp+Na+H"	84.054008
"998105"	501.210926	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+2ACN+2H"	84.067652
"1595887"	1003.322828	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+K+HCOOH"	84.968628
"1420452"	1033.354338	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+H+CF3COOH"	115.000138
"1149646"	521.724201	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+3ACN+2H"	125.094202
"1701384"	1050.380885	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+NH4+CF3COOH"	132.026685
"1641408"	1055.33628	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+Na+CF3COOH"	136.98208
"1577060"	1071.31022	"C08438"	"alpha-Amanitin"	"C39H54N10O14S"	"918.3542"	"M+K+CF3COOH"	152.95602
"810706"	788.3163	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M"	0
"977677"	769.29791	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-H2O-H"	-19.01839
"68102"	524.536924	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M-3H"	-3.021828
"508757"	787.309024	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M-3H"	-3.021828
"884374"	261.764824	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-3H"	-3.021828
"4044"	787.309024	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M-2H"	-2.014552
"445789"	1181.467174	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M-2H"	-2.014552
"827965"	393.150874	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-2H"	-2.014552
"84675"	1575.625324	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M-H"	-1.007276
"526424"	2363.941624	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M-H"	-1.007276
"904225"	787.309024	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-H"	-1.007276
"55320"	1592.651871	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M-2H+NH4"	16.019271
"494883"	2380.968171	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M-2H+NH4"	16.019271
"875965"	804.335571	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-2H+NH4"	16.019271
"40586"	1597.607266	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M-2H+Na"	20.974666
"476866"	2385.923566	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M-2H+Na"	20.974666
"856855"	809.290966	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-2H+Na"	20.974666
"1629674"	809.290966	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Na-2H"	20.974666
"106203"	805.297363	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M-H+Cl"	33.962126
"545763"	1199.455513	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M-H+Cl"	33.962126
"933810"	411.139213	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-H+Cl"	33.962126
"282090"	1611.602002	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+Cl"	34.969402
"669163"	2399.918302	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+Cl"	34.969402
"1277198"	823.285702	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Cl"	34.969402
"18664"	1613.581206	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M-2H+K"	36.948606
"457856"	2401.897506	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M-2H+K"	36.948606
"837118"	825.264906	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-2H+K"	36.948606
"1563889"	825.264906	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+K-2H"	36.948606
"956515"	833.314494	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-H+HCOOH"	44.998194
"373998"	1621.630801	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+HCOOH-H"	44.998201
"356058"	1635.646451	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+Hac-H"	59.013851
"1508397"	847.330151	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Hac-H"	59.013851
"972809"	855.296451	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-H+NaCOOH"	66.980151
"123907"	823.285702	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+2Cl"	69.938804
"564556"	1217.443852	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+2Cl"	69.938804
"1034080"	429.127552	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2Cl"	69.938804
"1251468"	867.235185	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Br"	78.918885
"1317929"	869.291172	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Cl+HCOOH"	80.974872
"1333966"	891.273129	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Cl+NaCOOH"	102.956829
"921384"	901.301886	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M-H+CF3COOH"	112.985586
"1298090"	937.278564	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Cl+CF3COOH"	148.962264
"1378073"	753.303624	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H-2H2O"	-35.012676
"1395936"	771.3136	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H-H2O"	-17.0027
"297809"	1577.639876	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+H"	1.007276
"690719"	2365.956176	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+H"	1.007276
"1358929"	789.323576	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H"	1.007276
"133272"	789.323576	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+2H"	2.014552
"571373"	1183.481726	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+2H"	2.014552
"1043458"	395.165426	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2H"	2.014552
"206987"	526.551476	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+3H"	3.021828
"646545"	789.323576	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+3H"	3.021828
"1169045"	263.779376	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+3H"	3.021828
"430131"	1594.666423	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+NH4"	18.033823
"796228"	2382.982723	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+NH4"	18.033823
"1685632"	806.350123	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+NH4"	18.033823
"337919"	797.8368495	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+H+NH4"	19.041099
"726329"	1191.9949995	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+H+NH4"	19.041099
"1482337"	403.6786995	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H+NH4"	19.041099
"397386"	1599.621818	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+Na"	22.989218
"769770"	2387.938118	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+Na"	22.989218
"1617785"	811.305518	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Na"	22.989218
"329740"	800.314547	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+H+Na"	23.996494
"721945"	1194.472697	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+H+Na"	23.996494
"1474063"	406.156397	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H+Na"	23.996494
"1067675"	271.10669	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2H+Na"	25.00377
"1271784"	821.349786	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+CH3OH+H"	33.033486
"390483"	1615.595758	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+K"	38.963158
"739813"	2403.912058	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+K"	38.963158
"1544054"	827.279458	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+K"	38.963158
"300866"	808.301517	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+H+K"	39.970434
"697662"	1202.459667	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+H+K"	39.970434
"1455853"	414.143367	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H+K"	39.970434
"241173"	1618.666426	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+ACN+H"	42.033826
"1214974"	830.350126	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+ACN+H"	42.033826
"1206518"	415.678701	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+ACN+2H"	43.041102
"198295"	1621.60376	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+2Na-H"	44.97116
"638948"	2409.92006	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+2Na-H"	44.97116
"1138079"	833.28746	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2Na-H"	44.97116
"180275"	811.305518	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+2Na"	45.978436
"626039"	1205.463668	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+2Na"	45.978436
"1129425"	417.147368	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2Na"	45.978436
"1410879"	278.434004	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H+2Na"	46.985712
"1442267"	835.329046	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H+HCOOH"	47.012746
"230867"	816.33854	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+3H2O+2H"	56.04448
"1514553"	849.38109	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+IsoProp+H"	61.06479
"419708"	819.292488	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+Na+K"	61.952376
"775237"	1213.450638	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+Na+K"	61.952376
"1677041"	425.134338	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Na+K"	61.952376
"261379"	1640.648368	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+ACN+Na"	64.015768
"1236275"	852.332068	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+ACN+Na"	64.015768
"1721880"	852.355593	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+NH4+HCOOH"	64.039293
"1188694"	285.761318	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+3Na"	68.967654
"1658224"	857.310988	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Na+HCOOH"	68.994688
"168366"	1653.55164	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+2K-H"	76.91904
"606471"	2441.86794	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+2K-H"	76.91904
"1096086"	865.23534	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2K-H"	76.91904
"151808"	827.279458	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"2M+2K"	77.926316
"592826"	1221.437608	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"3M+2K"	77.926316
"1075515"	433.121308	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2K"	77.926316
"1103257"	867.249892	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2K+H"	78.933592
"1336237"	867.337507	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+DMSO+H"	79.021207
"1011452"	871.376676	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2ACN+H"	83.060376
"1529578"	872.370308	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+IsoProp+Na+H"	84.054008
"999307"	436.191976	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+2ACN+2H"	84.067652
"1593809"	873.284928	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+K+HCOOH"	84.968628
"1417282"	903.316438	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+H+CF3COOH"	115.000138
"1149756"	456.705251	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+3ACN+2H"	125.094202
"1702588"	920.342985	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+NH4+CF3COOH"	132.026685
"1639331"	925.29838	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+Na+CF3COOH"	136.98208
"1577170"	941.27232	"C08439"	"Phalloidin;Phalloidine"	"C35H48N8O11S"	"788.3163"	"M+K+CF3COOH"	152.95602
"810816"	531.1989	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M"	0
"974789"	512.18051	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-H2O-H"	-19.01839
"63068"	353.125324	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M-3H"	-3.021828
"503765"	530.191624	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M-3H"	-3.021828
"881203"	176.059024	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-3H"	-3.021828
"84"	530.191624	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M-2H"	-2.014552
"443711"	795.791074	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M-2H"	-2.014552
"824795"	264.592174	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-2H"	-2.014552
"82599"	1061.390524	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M-H"	-1.007276
"525440"	1592.589424	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M-H"	-1.007276
"901055"	530.191624	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-H"	-1.007276
"54337"	1078.417071	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M-2H+NH4"	16.019271
"491712"	1609.615971	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M-2H+NH4"	16.019271
"867328"	547.218171	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-2H+NH4"	16.019271
"39600"	1083.372466	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M-2H+Na"	20.974666
"476972"	1614.571366	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M-2H+Na"	20.974666
"852951"	552.173566	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-2H+Na"	20.974666
"1624314"	552.173566	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Na-2H"	20.974666
"105220"	548.179963	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M-H+Cl"	33.962126
"545873"	813.779413	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M-H+Cl"	33.962126
"933920"	282.580513	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-H+Cl"	33.962126
"282281"	1097.367202	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+Cl"	34.969402
"669273"	1628.566102	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+Cl"	34.969402
"1276214"	566.168302	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Cl"	34.969402
"18772"	1099.346406	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M-2H+K"	36.948606
"456750"	1630.545306	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M-2H+K"	36.948606
"836134"	568.147506	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-2H+K"	36.948606
"1561812"	568.147506	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+K-2H"	36.948606
"954801"	576.197094	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-H+HCOOH"	44.998194
"370099"	1107.396001	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+HCOOH-H"	44.998201
"356168"	1121.411651	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+Hac-H"	59.013851
"1507194"	590.212751	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Hac-H"	59.013851
"971829"	598.179051	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-H+NaCOOH"	66.980151
"124380"	566.168302	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+2Cl"	69.938804
"564300"	831.767752	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+2Cl"	69.938804
"1034554"	300.568852	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2Cl"	69.938804
"1251578"	610.117785	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Br"	78.918885
"1316214"	612.173772	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Cl+HCOOH"	80.974872
"1330429"	634.155729	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Cl+NaCOOH"	102.956829
"919308"	644.184486	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M-H+CF3COOH"	112.985586
"1301848"	680.161164	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Cl+CF3COOH"	148.962264
"1378186"	496.186224	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H-2H2O"	-35.012676
"1391672"	514.1962	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H-H2O"	-17.0027
"293909"	1063.405076	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+H"	1.007276
"687789"	1594.603976	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+H"	1.007276
"1360132"	532.206176	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H"	1.007276
"128645"	532.206176	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+2H"	2.014552
"568204"	797.805626	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+2H"	2.014552
"1040288"	266.606726	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2H"	2.014552
"206489"	355.139876	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+3H"	3.021828
"646288"	532.206176	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+3H"	3.021828
"1164536"	178.073576	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+3H"	3.021828
"426960"	1080.431623	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+NH4"	18.033823
"795608"	1611.630523	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+NH4"	18.033823
"1685378"	549.232723	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+NH4"	18.033823
"334749"	540.7194495	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+H+NH4"	19.041099
"726439"	806.3188995	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+H+NH4"	19.041099
"1479167"	275.1199995	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H+NH4"	19.041099
"396756"	1085.387018	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+Na"	22.989218
"769428"	1616.585918	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+Na"	22.989218
"1617655"	554.188118	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Na"	22.989218
"329152"	543.197147	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+H+Na"	23.996494
"722543"	808.796597	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+H+Na"	23.996494
"1474901"	277.597697	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H+Na"	23.996494
"1067664"	185.40089	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2H+Na"	25.00377
"1270920"	564.232386	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+CH3OH+H"	33.033486
"389136"	1101.360958	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+K"	38.963158
"739926"	1632.559858	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+K"	38.963158
"1541978"	570.162058	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+K"	38.963158
"300978"	551.184117	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+H+K"	39.970434
"695587"	816.783567	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+H+K"	39.970434
"1450497"	285.584667	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H+K"	39.970434
"240191"	1104.431626	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+ACN+H"	42.033826
"1210831"	573.232726	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+ACN+H"	42.033826
"1203346"	287.120001	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+ACN+2H"	43.041102
"198405"	1107.36896	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+2Na-H"	44.97116
"639058"	1638.56786	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+2Na-H"	44.97116
"1141469"	576.17006	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2Na-H"	44.97116
"180385"	554.188118	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+2Na"	45.978436
"625418"	819.787568	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+2Na"	45.978436
"1129656"	288.588668	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2Na"	45.978436
"1413176"	192.728204	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H+2Na"	46.985712
"1443467"	578.211646	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H+HCOOH"	47.012746
"227697"	559.22114	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+3H2O+2H"	56.04448
"1521225"	592.26369	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+IsoProp+H"	61.06479
"422007"	562.175088	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+Na+K"	61.952376
"772066"	827.774538	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+Na+K"	61.952376
"1676058"	296.575638	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Na+K"	61.952376
"261489"	1126.413568	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+ACN+Na"	64.015768
"1234197"	595.214668	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+ACN+Na"	64.015768
"1721989"	595.238193	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+NH4+HCOOH"	64.039293
"1188440"	200.055518	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+3Na"	68.967654
"1658334"	600.193588	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Na+HCOOH"	68.994688
"168841"	1139.31684	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+2K-H"	76.91904
"604758"	1670.51574	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+2K-H"	76.91904
"1094374"	608.11794	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2K-H"	76.91904
"151919"	570.162058	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"2M+2K"	77.926316
"592207"	835.761508	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"3M+2K"	77.926316
"1075625"	304.562608	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2K"	77.926316
"1102273"	610.132492	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2K+H"	78.933592
"1336346"	610.220107	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+DMSO+H"	79.021207
"1009375"	614.259276	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2ACN+H"	83.060376
"1528594"	615.252908	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+IsoProp+Na+H"	84.054008
"997230"	307.633276	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+2ACN+2H"	84.067652
"1590639"	616.167528	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+K+HCOOH"	84.968628
"1416298"	646.199038	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+H+CF3COOH"	115.000138
"1149866"	328.146551	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+3ACN+2H"	125.094202
"1700511"	663.225585	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+NH4+CF3COOH"	132.026685
"1634308"	668.18098	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+Na+CF3COOH"	136.98208
"1574000"	684.15492	"C08440"	"Phaseolotoxin;N5-Amino(sulfoamino)phosphinyl-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine"	"C15H34N9O8PS"	"531.1989"	"M+K+CF3COOH"	152.95602
"807646"	414.2267	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M"	0
"974285"	395.20831	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-H2O-H"	-19.01839
"63949"	275.143857333333	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M-3H"	-3.021828
"503508"	413.219424	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M-3H"	-3.021828
"880583"	137.068290666667	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-3H"	-3.021828
"252"	413.219424	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M-2H"	-2.014552
"441027"	620.332774	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M-2H"	-2.014552
"821625"	206.106074	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-2H"	-2.014552
"82710"	827.446124	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M-H"	-1.007276
"522270"	1241.672824	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M-H"	-1.007276
"901165"	413.219424	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-H"	-1.007276
"55540"	844.472671	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M-2H+NH4"	16.019271
"489636"	1258.699371	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M-2H+NH4"	16.019271
"867438"	430.245971	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-2H+NH4"	16.019271
"39710"	849.428066	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M-2H+Na"	20.974666
"474894"	1263.654766	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M-2H+Na"	20.974666
"851603"	435.201366	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-2H+Na"	20.974666
"1624424"	435.201366	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Na-2H"	20.974666
"105330"	431.207763	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M-H+Cl"	33.962126
"545983"	638.321113	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M-H+Cl"	33.962126
"934030"	224.094413	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-H+Cl"	33.962126
"280974"	863.422802	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+Cl"	34.969402
"670476"	1277.649502	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+Cl"	34.969402
"1276323"	449.196102	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Cl"	34.969402
"16936"	865.402006	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M-2H+K"	36.948606
"456616"	1279.628706	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M-2H+K"	36.948606
"836243"	451.175306	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-2H+K"	36.948606
"1563015"	451.175306	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+K-2H"	36.948606
"951995"	459.224894	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-H+HCOOH"	44.998194
"371302"	873.451601	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+HCOOH-H"	44.998201
"356278"	887.467251	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+Hac-H"	59.013851
"1506819"	473.240551	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Hac-H"	59.013851
"973029"	481.206851	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-H+NaCOOH"	66.980151
"125096"	449.196102	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+2Cl"	69.938804
"564046"	656.309452	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+2Cl"	69.938804
"1032840"	242.082752	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2Cl"	69.938804
"1251688"	493.145585	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Br"	78.918885
"1315231"	495.201572	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Cl+HCOOH"	80.974872
"1331999"	517.183529	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Cl+NaCOOH"	102.956829
"919418"	527.212286	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M-H+CF3COOH"	112.985586
"1300499"	563.188964	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Cl+CF3COOH"	148.962264
"1375380"	379.214024	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H-2H2O"	-35.012676
"1387408"	397.224	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H-H2O"	-17.0027
"295112"	829.460676	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+H"	1.007276
"688628"	1243.687376	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+H"	1.007276
"1360242"	415.233976	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H"	1.007276
"133130"	415.233976	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+2H"	2.014552
"570503"	622.347326	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+2H"	2.014552
"1040398"	208.120626	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2H"	2.014552
"204894"	277.158409333333	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+3H"	3.021828
"646762"	415.233976	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+3H"	3.021828
"1165981"	139.082842666667	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+3H"	3.021828
"427068"	846.487223	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+NH4"	18.033823
"790251"	1260.713923	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+NH4"	18.033823
"1686581"	432.260523	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+NH4"	18.033823
"329995"	423.7472495	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+H+NH4"	19.041099
"725092"	630.8605995	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+H+NH4"	19.041099
"1478548"	216.6338995	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H+NH4"	19.041099
"393025"	851.442618	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+Na"	22.989218
"761877"	1265.669318	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+Na"	22.989218
"1608881"	437.215918	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Na"	22.989218
"329136"	426.224947	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+H+Na"	23.996494
"721800"	633.338297	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+H+Na"	23.996494
"1475011"	219.111597	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H+Na"	23.996494
"1066922"	146.410156666667	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2H+Na"	25.00377
"1268842"	447.260186	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+CH3OH+H"	33.033486
"387421"	867.416558	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+K"	38.963158
"741127"	1281.643258	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+K"	38.963158
"1542451"	453.189858	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+K"	38.963158
"302180"	434.211917	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+H+K"	39.970434
"697882"	641.325267	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+H+K"	39.970434
"1450607"	227.098567	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H+K"	39.970434
"238841"	870.487226	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+ACN+H"	42.033826
"1210940"	456.260526	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+ACN+H"	42.033826
"1194293"	228.633901	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+ACN+2H"	43.041102
"192316"	873.42456	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+2Na-H"	44.97116
"630417"	1287.65126	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+2Na-H"	44.97116
"1131396"	459.19786	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2Na-H"	44.97116
"173069"	437.215918	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+2Na"	45.978436
"613361"	644.329268	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+2Na"	45.978436
"1115719"	230.102568	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2Na"	45.978436
"1412559"	153.737470666667	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H+2Na"	46.985712
"1441390"	461.239446	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H+HCOOH"	47.012746
"229994"	442.24894	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+3H2O+2H"	56.04448
"1520607"	475.29149	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+IsoProp+H"	61.06479
"421023"	445.202888	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+Na+K"	61.952376
"776553"	652.316238	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+Na+K"	61.952376
"1676168"	238.089538	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Na+K"	61.952376
"262696"	892.469168	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+ACN+Na"	64.015768
"1236495"	478.242468	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+ACN+Na"	64.015768
"1723196"	478.265993	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+NH4+HCOOH"	64.039293
"1187457"	161.064784666667	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+3Na"	68.967654
"1662454"	483.221388	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Na+HCOOH"	68.994688
"168952"	905.37244	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+2K-H"	76.91904
"605961"	1319.59914	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+2K-H"	76.91904
"1092661"	491.14574	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2K-H"	76.91904
"153852"	453.189858	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"2M+2K"	77.926316
"593778"	660.303208	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"3M+2K"	77.926316
"1081205"	246.076508	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2K"	77.926316
"1110038"	493.160292	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2K+H"	78.933592
"1344236"	493.247907	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+DMSO+H"	79.021207
"1009485"	497.287076	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2ACN+H"	83.060376
"1528704"	498.280708	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+IsoProp+Na+H"	84.054008
"997340"	249.147176	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+2ACN+2H"	84.067652
"1590749"	499.195328	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+K+HCOOH"	84.968628
"1415436"	529.226838	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+H+CF3COOH"	115.000138
"1151069"	269.660451	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+3ACN+2H"	125.094202
"1700621"	546.253385	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+NH4+CF3COOH"	132.026685
"1634447"	551.20878	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+Na+CF3COOH"	136.98208
"1574110"	567.18272	"C08441"	"Tentoxin"	"C22H30N4O4"	"414.2267"	"M+K+CF3COOH"	152.95602
"807756"	673.2629	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M"	0
"974642"	654.24451	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-H2O-H"	-19.01839
"65152"	447.834657333333	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M-3H"	-3.021828
"503413"	672.255624	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M-3H"	-3.021828
"880571"	223.413690666667	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-3H"	-3.021828
"274"	672.255624	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M-2H"	-2.014552
"441501"	1008.887074	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M-2H"	-2.014552
"819547"	335.624174	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-2H"	-2.014552
"83911"	1345.518524	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M-H"	-1.007276
"523473"	2018.781424	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M-H"	-1.007276
"901275"	672.255624	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-H"	-1.007276
"54557"	1362.545071	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M-2H+NH4"	16.019271
"490110"	2035.807971	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M-2H+NH4"	16.019271
"868640"	689.282171	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-2H+NH4"	16.019271
"36540"	1367.500466	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M-2H+Na"	20.974666
"475368"	2040.763366	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M-2H+Na"	20.974666
"853170"	694.237566	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-2H+Na"	20.974666
"1622346"	694.237566	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Na-2H"	20.974666
"95955"	690.243963	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M-H+Cl"	33.962126
"535513"	1026.875413	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M-H+Cl"	33.962126
"927813"	353.612513	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-H+Cl"	33.962126
"267954"	1381.495202	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+Cl"	34.969402
"664021"	2054.758102	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+Cl"	34.969402
"1275333"	708.232302	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Cl"	34.969402
"16924"	1383.474406	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M-2H+K"	36.948606
"457699"	2056.737306	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M-2H+K"	36.948606
"835259"	710.211506	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-2H+K"	36.948606
"1566404"	710.211506	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+K-2H"	36.948606
"953198"	718.261094	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-H+HCOOH"	44.998194
"370319"	1391.524001	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+HCOOH-H"	44.998201
"353108"	1405.539651	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+Hac-H"	59.013851
"1503767"	732.276751	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Hac-H"	59.013851
"966204"	740.243051	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-H+NaCOOH"	66.980151
"122770"	708.232302	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+2Cl"	69.938804
"564156"	1044.863752	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+2Cl"	69.938804
"1031492"	371.600852	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2Cl"	69.938804
"1250704"	752.181785	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Br"	78.918885
"1314977"	754.237772	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Cl+HCOOH"	80.974872
"1332108"	776.219729	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Cl+NaCOOH"	102.956829
"919528"	786.248486	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M-H+CF3COOH"	112.985586
"1300609"	822.225164	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Cl+CF3COOH"	148.962264
"1375488"	638.250224	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H-2H2O"	-35.012676
"1389704"	656.2602	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H-H2O"	-17.0027
"296316"	1347.533076	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+H"	1.007276
"689468"	2020.795976	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+H"	1.007276
"1357074"	674.270176	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H"	1.007276
"129962"	674.270176	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+2H"	2.014552
"571707"	1010.901626	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+2H"	2.014552
"1040508"	337.638726	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2H"	2.014552
"207318"	449.849209333333	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+3H"	3.021828
"646875"	674.270176	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+3H"	3.021828
"1166091"	225.428242666667	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+3H"	3.021828
"429365"	1364.559623	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+NH4"	18.033823
"795828"	2037.822523	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+NH4"	18.033823
"1686691"	691.296723	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+NH4"	18.033823
"331077"	682.7834495	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+H+NH4"	19.041099
"725566"	1019.4148995	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+H+NH4"	19.041099
"1479022"	346.1519995	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H+NH4"	19.041099
"393325"	1369.515018	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+Na"	22.989218
"761987"	2042.777918	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+Na"	22.989218
"1610084"	696.252118	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Na"	22.989218
"329249"	685.261147	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+H+Na"	23.996494
"719114"	1021.892597	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+H+Na"	23.996494
"1469653"	348.629697	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H+Na"	23.996494
"1063992"	232.755556666667	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2H+Na"	25.00377
"1267858"	706.296386	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+CH3OH+H"	33.033486
"388260"	1385.488958	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+K"	38.963158
"743061"	2058.751858	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+K"	38.963158
"1540206"	712.226058	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+K"	38.963158
"301198"	693.248117	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+H+K"	39.970434
"696169"	1029.879567	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+H+K"	39.970434
"1450717"	356.616667	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H+K"	39.970434
"238587"	1388.559626	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+ACN+H"	42.033826
"1210807"	715.296726	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+ACN+H"	42.033826
"1194480"	358.152001	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+ACN+2H"	43.041102
"190359"	1391.49696	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+2Na-H"	44.97116
"630527"	2064.75986	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+2Na-H"	44.97116
"1131677"	718.23406	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2Na-H"	44.97116
"173389"	696.252118	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+2Na"	45.978436
"613836"	1032.883568	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+2Na"	45.978436
"1115762"	359.620668	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2Na"	45.978436
"1398925"	240.082870666667	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H+2Na"	46.985712
"1433843"	720.275646	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H+HCOOH"	47.012746
"231198"	701.28514	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+3H2O+2H"	56.04448
"1521081"	734.32769	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+IsoProp+H"	61.06479
"422227"	704.239088	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+Na+K"	61.952376
"776663"	1040.870538	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+Na+K"	61.952376
"1676278"	367.607638	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Na+K"	61.952376
"261713"	1410.541568	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+ACN+Na"	64.015768
"1236606"	737.278668	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+ACN+Na"	64.015768
"1722213"	737.302193	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+NH4+HCOOH"	64.039293
"1187567"	247.410184666667	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+3Na"	68.967654
"1661471"	742.257588	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Na+HCOOH"	68.994688
"168334"	1423.44484	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+2K-H"	76.91904
"607531"	2096.70774	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+2K-H"	76.91904
"1096418"	750.18194	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2K-H"	76.91904
"155059"	712.226058	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"2M+2K"	77.926316
"593889"	1048.857508	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"3M+2K"	77.926316
"1080951"	375.594608	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2K"	77.926316
"1110148"	752.196492	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2K+H"	78.933592
"1341066"	752.284107	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+DMSO+H"	79.021207
"1009595"	756.323276	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2ACN+H"	83.060376
"1528814"	757.316908	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+IsoProp+Na+H"	84.054008
"997450"	378.665276	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+2ACN+2H"	84.067652
"1591953"	758.231528	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+K+HCOOH"	84.968628
"1418705"	788.263038	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+H+CF3COOH"	115.000138
"1147290"	399.178551	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+3ACN+2H"	125.094202
"1697815"	805.289585	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+NH4+CF3COOH"	132.026685
"1639661"	810.24498	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+Na+CF3COOH"	136.98208
"1574220"	826.21892	"C08442"	"Ustiloxin;Ustiloxin A"	"C28H43N5O12S"	"673.2629"	"M+K+CF3COOH"	152.95602
"810053"	814.211	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M"	0
"977024"	795.19261	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-H2O-H"	-19.01839
"65264"	541.800057333333	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M-3H"	-3.021828
"505917"	813.203724	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M-3H"	-3.021828
"885906"	270.396390666667	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-3H"	-3.021828
"2294"	813.203724	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M-2H"	-2.014552
"442219"	1220.309224	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M-2H"	-2.014552
"819657"	406.098224	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-2H"	-2.014552
"86208"	1627.414724	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M-H"	-1.007276
"524676"	2441.625724	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M-H"	-1.007276
"903570"	813.203724	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-H"	-1.007276
"54667"	1644.441271	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M-2H+NH4"	16.019271
"492041"	2458.652271	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M-2H+NH4"	16.019271
"868750"	830.230271	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-2H+NH4"	16.019271
"38836"	1649.396666	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M-2H+Na"	20.974666
"476573"	2463.607666	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M-2H+Na"	20.974666
"851460"	835.185666	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-2H+Na"	20.974666
"1623550"	835.185666	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Na-2H"	20.974666
"98983"	831.192063	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M-H+Cl"	33.962126
"536720"	1238.297563	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M-H+Cl"	33.962126
"929141"	424.086563	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-H+Cl"	33.962126
"268670"	1663.391402	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+Cl"	34.969402
"665227"	2477.602402	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+Cl"	34.969402
"1275443"	849.180402	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Cl"	34.969402
"21286"	1665.370606	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M-2H+K"	36.948606
"458659"	2479.581606	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M-2H+K"	36.948606
"835366"	851.159606	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-2H+K"	36.948606
"1563232"	851.159606	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+K-2H"	36.948606
"950022"	859.209194	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-H+HCOOH"	44.998194
"367142"	1673.420201	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+HCOOH-H"	44.998201
"353212"	1687.435851	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+Hac-H"	59.013851
"1502052"	873.224851	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Hac-H"	59.013851
"967403"	881.191151	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-H+NaCOOH"	66.980151
"118499"	849.180402	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+2Cl"	69.938804
"561344"	1256.285902	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+2Cl"	69.938804
"1031235"	442.074902	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2Cl"	69.938804
"1248626"	893.129885	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Br"	78.918885
"1313993"	895.185872	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Cl+HCOOH"	80.974872
"1333312"	917.167829	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Cl+NaCOOH"	102.956829
"918543"	927.196586	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M-H+CF3COOH"	112.985586
"1294157"	963.173264	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Cl+CF3COOH"	148.962264
"1375598"	779.198324	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H-2H2O"	-35.012676
"1391637"	797.2083	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H-H2O"	-17.0027
"296426"	1629.429276	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+H"	1.007276
"690550"	2443.640276	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+H"	1.007276
"1358277"	815.218276	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H"	1.007276
"133352"	815.218276	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+2H"	2.014552
"572911"	1222.323776	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+2H"	2.014552
"1040617"	408.112776	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2H"	2.014552
"205605"	543.814609333333	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+3H"	3.021828
"649171"	815.218276	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+3H"	3.021828
"1166202"	272.410942666667	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+3H"	3.021828
"434579"	1646.455823	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+NH4"	18.033823
"795938"	2460.666823	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+NH4"	18.033823
"1688988"	832.244823	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+NH4"	18.033823
"330459"	823.7315495	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+H+NH4"	19.041099
"725312"	1230.8370495	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+H+NH4"	19.041099
"1478767"	416.6260495	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H+NH4"	19.041099
"395019"	1651.411218	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+Na"	22.989218
"762097"	2465.622218	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+Na"	22.989218
"1618053"	837.200218	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Na"	22.989218
"325708"	826.209247	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+H+Na"	23.996494
"719953"	1233.314747	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+H+Na"	23.996494
"1471949"	419.103747	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H+Na"	23.996494
"1065195"	279.738256666667	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2H+Na"	25.00377
"1269061"	847.244486	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+CH3OH+H"	33.033486
"388370"	1667.385158	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+K"	38.963158
"747544"	2481.596158	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+K"	38.963158
"1543035"	853.174158	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+K"	38.963158
"305681"	834.196217	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+H+K"	39.970434
"699194"	1241.301717	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+H+K"	39.970434
"1451920"	427.090717	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H+K"	39.970434
"239426"	1670.455826	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+ACN+H"	42.033826
"1211526"	856.244826	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+ACN+H"	42.033826
"1195164"	428.626051	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+ACN+2H"	43.041102
"191077"	1673.39316	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+2Na-H"	44.97116
"631730"	2487.60416	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+2Na-H"	44.97116
"1131912"	859.18216	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2Na-H"	44.97116
"173337"	837.200218	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+2Na"	45.978436
"613949"	1244.305718	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+2Na"	45.978436
"1116238"	430.094718	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2Na"	45.978436
"1399401"	287.065570666667	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H+2Na"	46.985712
"1434681"	861.223746	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H+HCOOH"	47.012746
"222186"	842.23324	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+3H2O+2H"	56.04448
"1520098"	875.27579	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+IsoProp+H"	61.06479
"414315"	845.187188	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+Na+K"	61.952376
"776773"	1252.292688	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+Na+K"	61.952376
"1677481"	438.081688	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Na+K"	61.952376
"260727"	1692.437768	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+ACN+Na"	64.015768
"1233435"	878.226768	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+ACN+Na"	64.015768
"1721229"	878.250293	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+NH4+HCOOH"	64.039293
"1186584"	294.392884666667	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+3Na"	68.967654
"1657937"	883.205688	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Na+HCOOH"	68.994688
"165529"	1705.34104	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+2K-H"	76.91904
"602537"	2519.55204	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+2K-H"	76.91904
"1092882"	891.13004	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2K-H"	76.91904
"152617"	853.174158	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"2M+2K"	77.926316
"592904"	1260.279658	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"3M+2K"	77.926316
"1081062"	446.068658	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2K"	77.926316
"1109530"	893.144592	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2K+H"	78.933592
"1342269"	893.232207	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+DMSO+H"	79.021207
"1009705"	897.271376	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2ACN+H"	83.060376
"1532203"	898.265008	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+IsoProp+Na+H"	84.054008
"997560"	449.139326	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+2ACN+2H"	84.067652
"1593155"	899.179628	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+K+HCOOH"	84.968628
"1422095"	929.211138	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+H+CF3COOH"	115.000138
"1149102"	469.652601	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+3ACN+2H"	125.094202
"1697561"	946.237685	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+NH4+CF3COOH"	132.026685
"1637584"	951.19308	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+Na+CF3COOH"	136.98208
"1577610"	967.16702	"C08443"	"Victorin C"	"C31H45Cl3N6O13"	"814.211"	"M+K+CF3COOH"	152.95602
"810163"	240.1514	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M"	0
"977134"	221.13301	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-H2O-H"	-19.01839
"65372"	159.093657333333	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M-3H"	-3.021828
"506027"	239.144124	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M-3H"	-3.021828
"887110"	79.0431906666667	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-3H"	-3.021828
"2403"	239.144124	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M-2H"	-2.014552
"443422"	359.219824	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M-2H"	-2.014552
"821953"	119.068424	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-2H"	-2.014552
"84132"	479.295524	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M-H"	-1.007276
"524787"	719.446924	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M-H"	-1.007276
"902587"	239.144124	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-H"	-1.007276
"54777"	496.322071	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M-2H+NH4"	16.019271
"490330"	736.473471	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M-2H+NH4"	16.019271
"868860"	256.170671	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-2H+NH4"	16.019271
"38946"	501.277466	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M-2H+Na"	20.974666
"477047"	741.428866	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M-2H+Na"	20.974666
"852298"	261.126066	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-2H+Na"	20.974666
"1622567"	261.126066	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Na-2H"	20.974666
"96177"	257.132463	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M-H+Cl"	33.962126
"535737"	377.208163	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M-H+Cl"	33.962126
"928399"	137.056763	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-H+Cl"	33.962126
"268659"	515.272202	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+Cl"	34.969402
"665337"	755.423602	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+Cl"	34.969402
"1275553"	275.120802	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Cl"	34.969402
"20303"	517.251406	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M-2H+K"	36.948606
"459863"	757.402806	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M-2H+K"	36.948606
"834504"	277.100006	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-2H+K"	36.948606
"1563342"	277.100006	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+K-2H"	36.948606
"953412"	285.149594	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-H+HCOOH"	44.998194
"368345"	525.301001	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+HCOOH-H"	44.998201
"353322"	539.316651	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+Hac-H"	59.013851
"1502162"	299.165251	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Hac-H"	59.013851
"967512"	307.131551	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-H+NaCOOH"	66.980151
"116418"	275.120802	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+2Cl"	69.938804
"558168"	395.196502	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+2Cl"	69.938804
"1031342"	155.045102	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2Cl"	69.938804
"1249826"	319.070285	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Br"	78.918885
"1313369"	321.126272	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Cl+HCOOH"	80.974872
"1328679"	343.108229	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Cl+NaCOOH"	102.956829
"919742"	353.136986	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M-H+CF3COOH"	112.985586
"1293174"	389.113664	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Cl+CF3COOH"	148.962264
"1374615"	205.138724	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H-2H2O"	-35.012676
"1388828"	223.1487	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H-H2O"	-17.0027
"290703"	481.310076	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+H"	1.007276
"683854"	721.461476	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+H"	1.007276
"1356200"	241.158676	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H"	1.007276
"131275"	241.158676	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+2H"	2.014552
"570834"	361.234376	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+2H"	2.014552
"1039633"	121.082976	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2H"	2.014552
"205103"	161.108209333333	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+3H"	3.021828
"645270"	241.158676	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+3H"	3.021828
"1163395"	81.0577426666667	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+3H"	3.021828
"431772"	498.336623	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+NH4"	18.033823
"792767"	738.488023	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+NH4"	18.033823
"1685817"	258.185223	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+NH4"	18.033823
"329975"	249.6719495	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+H+NH4"	19.041099
"722882"	369.7476495	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+H+NH4"	19.041099
"1480337"	129.5962495	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H+NH4"	19.041099
"394644"	503.292018	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+Na"	22.989218
"762207"	743.443418	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+Na"	22.989218
"1615408"	263.140618	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Na"	22.989218
"320350"	252.149647	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+H+Na"	23.996494
"712770"	372.225347	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+H+Na"	23.996494
"1464764"	132.073947	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H+Na"	23.996494
"1057650"	88.3850566666667	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2H+Na"	25.00377
"1259687"	273.184886	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+CH3OH+H"	33.033486
"384471"	519.265958	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+K"	38.963158
"747652"	759.417358	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+K"	38.963158
"1545332"	279.114558	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+K"	38.963158
"306880"	260.136617	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+H+K"	39.970434
"697113"	380.212317	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+H+K"	39.970434
"1446068"	140.060917	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H+K"	39.970434
"237713"	522.336626	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+ACN+H"	42.033826
"1211636"	282.185226	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+ACN+H"	42.033826
"1194787"	141.596251	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+ACN+2H"	43.041102
"188747"	525.27396	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+2Na-H"	44.97116
"632569"	765.42536	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+2Na-H"	44.97116
"1131942"	285.12256	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2Na-H"	44.97116
"173651"	263.140618	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+2Na"	45.978436
"613812"	383.216318	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+2Na"	45.978436
"1116469"	143.064918	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2Na"	45.978436
"1399145"	95.7123706666667	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H+2Na"	46.985712
"1437343"	287.164146	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H+HCOOH"	47.012746
"221932"	268.17364	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+3H2O+2H"	56.04448
"1517289"	301.21619	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+IsoProp+H"	61.06479
"414789"	271.127588	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+Na+K"	61.952376
"776883"	391.203288	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+Na+K"	61.952376
"1676498"	151.051888	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Na+K"	61.952376
"260473"	544.318568	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+ACN+Na"	64.015768
"1234638"	304.167168	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+ACN+Na"	64.015768
"1722797"	304.190693	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+NH4+HCOOH"	64.039293
"1186696"	103.039684666667	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+3Na"	68.967654
"1658413"	309.146088	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Na+HCOOH"	68.994688
"166004"	557.22184	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+2K-H"	76.91904
"606293"	797.37324	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+2K-H"	76.91904
"1093722"	317.07044	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2K-H"	76.91904
"153456"	279.114558	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"2M+2K"	77.926316
"591920"	399.190258	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"3M+2K"	77.926316
"1079349"	159.038858	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2K"	77.926316
"1110733"	319.084992	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2K+H"	78.933592
"1342379"	319.172607	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+DMSO+H"	79.021207
"1009815"	323.211776	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2ACN+H"	83.060376
"1531220"	324.205408	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+IsoProp+Na+H"	84.054008
"999856"	162.109526	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+2ACN+2H"	84.067652
"1591079"	325.120028	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+K+HCOOH"	84.968628
"1418925"	355.151538	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+H+CF3COOH"	115.000138
"1147428"	182.622801	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+3ACN+2H"	125.094202
"1698035"	372.178085	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+NH4+CF3COOH"	132.026685
"1637694"	377.13348	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+Na+CF3COOH"	136.98208
"1577720"	393.10742	"C08445"	"Dehydrofalcarinone"	"C17H20O"	"240.1514"	"M+K+CF3COOH"	152.95602
"811366"	172.0524	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M"	0
"977244"	153.03401	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-H2O-H"	-19.01839
"65484"	113.694324	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M-3H"	-3.021828
"505044"	171.045124	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M-3H"	-3.021828
"890137"	56.343524	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-3H"	-3.021828
"3608"	171.045124	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M-2H"	-2.014552
"446450"	257.071324	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M-2H"	-2.014552
"823158"	85.018924	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-2H"	-2.014552
"88616"	343.097524	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M-H"	-1.007276
"525990"	515.149924	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M-H"	-1.007276
"903791"	171.045124	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-H"	-1.007276
"55980"	360.124071	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M-2H+NH4"	16.019271
"490076"	532.176471	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M-2H+NH4"	16.019271
"868970"	188.071671	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-2H+NH4"	16.019271
"39056"	365.079466	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M-2H+Na"	20.974666
"476429"	537.131866	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M-2H+Na"	20.974666
"852409"	193.027066	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-2H+Na"	20.974666
"1621583"	193.027066	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Na-2H"	20.974666
"95923"	189.033463	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M-H+Cl"	33.962126
"535848"	275.059663	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M-H+Cl"	33.962126
"927905"	103.007263	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-H+Cl"	33.962126
"275211"	379.074202	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+Cl"	34.969402
"667633"	551.126602	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+Cl"	34.969402
"1276756"	207.021802	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Cl"	34.969402
"25876"	381.053406	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M-2H+K"	36.948606
"465438"	553.105806	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M-2H+K"	36.948606
"835586"	209.001006	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-2H+K"	36.948606
"1561266"	209.001006	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+K-2H"	36.948606
"948056"	217.050594	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-H+HCOOH"	44.998194
"365175"	389.103001	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+HCOOH-H"	44.998201
"353432"	403.118651	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+Hac-H"	59.013851
"1498993"	231.066251	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Hac-H"	59.013851
"963250"	239.032551	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-H+NaCOOH"	66.980151
"114706"	207.021802	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+2Cl"	69.938804
"557185"	293.048002	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+2Cl"	69.938804
"1031451"	120.995602	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2Cl"	69.938804
"1246655"	250.971285	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Br"	78.918885
"1312386"	253.027272	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Cl+HCOOH"	80.974872
"1328789"	275.009229	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Cl+NaCOOH"	102.956829
"918759"	285.037986	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M-H+CF3COOH"	112.985586
"1294375"	321.014664	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Cl+CF3COOH"	148.962264
"1373629"	137.039724	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H-2H2O"	-35.012676
"1391125"	155.0497	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H-H2O"	-17.0027
"291540"	345.112076	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+H"	1.007276
"682138"	517.164476	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+H"	1.007276
"1356309"	173.059676	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H"	1.007276
"135757"	173.059676	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+2H"	2.014552
"568754"	259.085876	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+2H"	2.014552
"1038286"	87.033476	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2H"	2.014552
"206549"	115.708876	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+3H"	3.021828
"646110"	173.059676	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+3H"	3.021828
"1168608"	58.358076	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+3H"	3.021828
"425439"	362.138623	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+NH4"	18.033823
"787406"	534.191023	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+NH4"	18.033823
"1683000"	190.086223	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+NH4"	18.033823
"330194"	181.5729495	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+H+NH4"	19.041099
"723095"	267.5991495	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+H+NH4"	19.041099
"1478381"	95.5467495	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H+NH4"	19.041099
"392934"	367.094018	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+Na"	22.989218
"756116"	539.146418	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+Na"	22.989218
"1604945"	195.041618	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Na"	22.989218
"323733"	184.050647	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+H+Na"	23.996494
"710686"	270.076847	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+H+Na"	23.996494
"1463778"	98.024447	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H+Na"	23.996494
"1061036"	65.68539	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2H+Na"	25.00377
"1260891"	205.085886	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+CH3OH+H"	33.033486
"387861"	383.067958	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+K"	38.963158
"749584"	555.120358	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+K"	38.963158
"1547628"	211.015558	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+K"	38.963158
"306990"	192.037617	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+H+K"	39.970434
"695036"	278.063817	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+H+K"	39.970434
"1448854"	106.011417	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H+K"	39.970434
"239646"	386.138626	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+ACN+H"	42.033826
"1210121"	214.086226	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+ACN+H"	42.033826
"1194325"	107.546751	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+ACN+2H"	43.041102
"189225"	389.07596	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+2Na-H"	44.97116
"628661"	561.12836	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+2Na-H"	44.97116
"1131481"	217.02356	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2Na-H"	44.97116
"173151"	195.041618	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+2Na"	45.978436
"612989"	281.067818	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+2Na"	45.978436
"1115725"	109.015418	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2Na"	45.978436
"1398725"	73.012704	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H+2Na"	46.985712
"1430520"	219.065146	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H+HCOOH"	47.012746
"222408"	200.07464	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+3H2O+2H"	56.04448
"1508636"	233.11719	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+IsoProp+H"	61.06479
"409791"	203.028588	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+Na+K"	61.952376
"779173"	289.054788	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+Na+K"	61.952376
"1671502"	117.002388	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Na+K"	61.952376
"262036"	408.120568	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+ACN+Na"	64.015768
"1230734"	236.068168	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+ACN+Na"	64.015768
"1715610"	236.091693	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+NH4+HCOOH"	64.039293
"1184617"	80.340018	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+3Na"	68.967654
"1656695"	241.047088	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Na+HCOOH"	68.994688
"167935"	421.02384	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+2K-H"	76.91904
"607130"	593.07624	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+2K-H"	76.91904
"1096019"	248.97144	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2K-H"	76.91904
"152834"	211.015558	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"2M+2K"	77.926316
"593852"	297.041758	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"3M+2K"	77.926316
"1078363"	124.989358	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2K"	77.926316
"1112300"	250.985992	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2K+H"	78.933592
"1342489"	251.073607	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+DMSO+H"	79.021207
"1014298"	255.112776	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2ACN+H"	83.060376
"1529143"	256.106408	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+IsoProp+Na+H"	84.054008
"992311"	128.060026	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+2ACN+2H"	84.067652
"1592282"	257.021028	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+K+HCOOH"	84.968628
"1414193"	287.052538	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+H+CF3COOH"	115.000138
"1147862"	148.573301	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+3ACN+2H"	125.094202
"1701061"	304.079085	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+NH4+CF3COOH"	132.026685
"1637804"	309.03448	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+Na+CF3COOH"	136.98208
"1577830"	325.00842	"C08446"	"Dehydromatricaria ester;(E)-2-Decene-468-triynoic acid methyl ester"	"C11H8O2"	"172.0524"	"M+K+CF3COOH"	152.95602
"811476"	198.0681	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M"	0
"981730"	179.04971	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-H2O-H"	-19.01839
"67784"	131.038124	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M-3H"	-3.021828
"506248"	197.060824	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M-3H"	-3.021828
"881863"	65.015424	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-3H"	-3.021828
"2625"	197.060824	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M-2H"	-2.014552
"443279"	296.094874	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M-2H"	-2.014552
"822174"	98.026774	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-2H"	-2.014552
"86540"	395.128924	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M-H"	-1.007276
"530475"	593.197024	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M-H"	-1.007276
"904995"	197.060824	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-H"	-1.007276
"58278"	412.155471	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M-2H+NH4"	16.019271
"493465"	610.223571	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M-2H+NH4"	16.019271
"870175"	214.087371	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-2H+NH4"	16.019271
"42448"	417.110866	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M-2H+Na"	20.974666
"477632"	615.178966	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M-2H+Na"	20.974666
"852156"	219.042766	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-2H+Na"	20.974666
"1623882"	219.042766	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Na-2H"	20.974666
"97126"	215.049163	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M-H+Cl"	33.962126
"537780"	314.083213	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M-H+Cl"	33.962126
"931296"	116.015113	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-H+Cl"	33.962126
"273136"	431.105602	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+Cl"	34.969402
"669932"	629.173702	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+Cl"	34.969402
"1281241"	233.037502	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Cl"	34.969402
"25987"	433.084806	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M-2H+K"	36.948606
"462266"	631.152906	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M-2H+K"	36.948606
"834603"	235.016706	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-2H+K"	36.948606
"1561377"	235.016706	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+K-2H"	36.948606
"945979"	243.066294	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-H+HCOOH"	44.998194
"363828"	441.134401	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+HCOOH-H"	44.998201
"350264"	455.150051	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+Hac-H"	59.013851
"1500196"	257.081951	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Hac-H"	59.013851
"963360"	265.048251	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-H+NaCOOH"	66.980151
"116639"	233.037502	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+2Cl"	69.938804
"556566"	332.071552	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+2Cl"	69.938804
"1030467"	134.003452	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2Cl"	69.938804
"1246765"	276.986985	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Br"	78.918885
"1310308"	279.042972	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Cl+HCOOH"	80.974872
"1327806"	301.024929	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Cl+NaCOOH"	102.956829
"921056"	311.053686	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M-H+CF3COOH"	112.985586
"1296672"	347.030364	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Cl+CF3COOH"	148.962264
"1379206"	163.055424	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H-2H2O"	-35.012676
"1391234"	181.0654	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H-H2O"	-17.0027
"293108"	397.143476	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+H"	1.007276
"683341"	595.211576	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+H"	1.007276
"1356419"	199.075376	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H"	1.007276
"132587"	199.075376	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+2H"	2.014552
"568864"	298.109426	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+2H"	2.014552
"1037419"	100.041326	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2H"	2.014552
"205686"	133.052676	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+3H"	3.021828
"645127"	199.075376	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+3H"	3.021828
"1165438"	67.029976	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+3H"	3.021828
"426521"	414.170023	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+NH4"	18.033823
"788609"	612.238123	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+NH4"	18.033823
"1682505"	216.101923	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+NH4"	18.033823
"330664"	207.5886495	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+H+NH4"	19.041099
"725636"	306.6226995	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+H+NH4"	19.041099
"1478370"	108.5545995	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H+NH4"	19.041099
"393892"	419.125418	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+Na"	22.989218
"756955"	617.193518	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+Na"	22.989218
"1605419"	221.057318	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Na"	22.989218
"324936"	210.066347	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+H+Na"	23.996494
"708971"	309.100397	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+H+Na"	23.996494
"1463888"	111.032297	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H+Na"	23.996494
"1060053"	74.35729	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2H+Na"	25.00377
"1260637"	231.101586	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+CH3OH+H"	33.033486
"385784"	435.099358	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+K"	38.963158
"744590"	633.167458	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+K"	38.963158
"1547738"	237.031258	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+K"	38.963158
"309286"	218.053317	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+H+K"	39.970434
"696239"	317.087367	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+H+K"	39.970434
"1446776"	119.019267	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H+K"	39.970434
"240121"	438.170026	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+ACN+H"	42.033826
"1210274"	240.101926	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+ACN+H"	42.033826
"1194252"	120.554601	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+ACN+2H"	43.041102
"188621"	441.10736	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+2Na-H"	44.97116
"628683"	639.17546	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+2Na-H"	44.97116
"1131337"	243.03926	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2Na-H"	44.97116
"173081"	221.057318	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+2Na"	45.978436
"612910"	320.091368	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+2Na"	45.978436
"1115712"	122.023268	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2Na"	45.978436
"1398526"	81.684604	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H+2Na"	46.985712
"1430389"	245.080846	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H+HCOOH"	47.012746
"221303"	226.09034	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+3H2O+2H"	56.04448
"1509364"	259.13289	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+IsoProp+H"	61.06479
"412089"	229.044288	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+Na+K"	61.952376
"780012"	328.078338	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+Na+K"	61.952376
"1672342"	130.010238	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Na+K"	61.952376
"262146"	460.151968	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+ACN+Na"	64.015768
"1230844"	262.083868	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+ACN+Na"	64.015768
"1715356"	262.107393	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+NH4+HCOOH"	64.039293
"1186914"	89.011918	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+3Na"	68.967654
"1656805"	267.062788	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Na+HCOOH"	68.994688
"165492"	473.05524	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+2K-H"	76.91904
"604324"	671.12334	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+2K-H"	76.91904
"1095397"	274.98714	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2K-H"	76.91904
"150026"	237.031258	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"2M+2K"	77.926316
"593232"	336.065308	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"3M+2K"	77.926316
"1075193"	137.997208	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2K"	77.926316
"1112047"	277.001692	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2K+H"	78.933592
"1342599"	277.089307	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+DMSO+H"	79.021207
"1012220"	281.128476	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2ACN+H"	83.060376
"1532534"	282.122108	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+IsoProp+Na+H"	84.054008
"996795"	141.067876	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+2ACN+2H"	84.067652
"1596766"	283.036728	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+K+HCOOH"	84.968628
"1418050"	313.068238	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+H+CF3COOH"	115.000138
"1149794"	161.581151	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+3ACN+2H"	125.094202
"1703357"	330.094785	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+NH4+CF3COOH"	132.026685
"1637914"	335.05018	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+Na+CF3COOH"	136.98208
"1577940"	351.02412	"C08447"	"Dehydrosafynol;(2R11E)-11-Tridecene-3579-tetrayne-12-diol"	"C13H10O2"	"198.0681"	"M+K+CF3COOH"	152.95602
"811586"	186.0681	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M"	0
"980745"	167.04971	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"68987"	123.038124	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"505264"	185.060824	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"881973"	61.015424	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"2735"	185.060824	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"446670"	278.094874	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"823377"	92.026774	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"86650"	371.128924	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"530585"	557.197024	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"904012"	185.060824	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"54014"	388.155471	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"488472"	574.223571	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"865906"	202.087371	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"34538"	393.110866	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"474460"	579.178966	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"849225"	207.042766	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1621805"	207.042766	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"96507"	203.049163	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"535096"	296.083213	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"931406"	110.015113	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"275431"	407.105602	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"671135"	593.173702	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1282444"	221.037502	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"27190"	409.084806	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"463469"	595.152906	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"839087"	223.016706	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1561486"	223.016706	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"950461"	231.066294	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"369769"	417.134401	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"354747"	431.150051	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1497026"	245.081951	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"965655"	253.048251	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"120031"	221.037502	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"559591"	314.071552	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1031670"	128.003452	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1249062"	264.986985	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1310417"	267.042972	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1326820"	289.024929	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"921166"	299.053686	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1295688"	335.030364	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1378952"	151.055424	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1392437"	169.0654	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"293217"	373.143476	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"682357"	559.211576	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1357622"	187.075376	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"131603"	187.075376	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"568974"	280.109426	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1039962"	94.041326	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"207010"	125.052676	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"650704"	187.075376	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1169921"	63.029976	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"427725"	390.170023	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"789812"	576.238123	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1685047"	204.101923	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"330533"	195.5886495	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"723681"	288.6226995	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1479198"	102.5545995	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"394971"	395.125418	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"757793"	581.193518	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1605893"	209.057318	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"323952"	198.066347	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"709809"	291.100397	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1462776"	105.032297	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1059433"	70.35729	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1261842"	219.101586	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"386987"	411.099358	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"744700"	597.167458	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1546755"	225.031258	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"307210"	206.053317	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"695256"	299.087367	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1447980"	113.019267	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"240231"	414.170026	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1210344"	228.101926	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1194302"	114.554601	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"188720"	417.10736	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"628530"	603.17546	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1131397"	231.03926	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"172931"	209.057318	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"612944"	302.091368	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1115632"	116.023268	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1398467"	77.684604	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1430130"	233.080846	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"220684"	214.09034	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1509232"	247.13289	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"411835"	217.044288	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"778300"	310.078338	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1672818"	124.010238	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"258610"	436.151968	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1232047"	250.083868	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1718018"	250.107393	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1185929"	85.011918	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1656912"	255.062788	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"162684"	449.05524	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"604432"	635.12334	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1090040"	262.98714	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"146856"	225.031258	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"590426"	318.065308	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1074209"	131.997208	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1106323"	265.001692	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1342709"	265.089307	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1010143"	269.128476	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1532644"	270.122108	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"996905"	135.067876	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1596876"	271.036728	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1418160"	301.068238	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1149904"	155.581151	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1700187"	318.094785	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1636930"	323.05018	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1574770"	339.02412	"C08448"	"Eutypine;4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"811697"	260.1776	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M"	0
"980855"	241.15921	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-H2O-H"	-19.01839
"69097"	172.444457333333	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M-3H"	-3.021828
"505374"	259.170324	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M-3H"	-3.021828
"885364"	85.7185906666667	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-3H"	-3.021828
"3939"	259.170324	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M-2H"	-2.014552
"445686"	389.259124	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M-2H"	-2.014552
"821301"	129.081524	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-2H"	-2.014552
"86760"	519.347924	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M-H"	-1.007276
"530695"	779.525524	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M-H"	-1.007276
"903028"	259.170324	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-H"	-1.007276
"57404"	536.374471	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M-2H+NH4"	16.019271
"490405"	796.552071	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M-2H+NH4"	16.019271
"867112"	276.196871	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-2H+NH4"	16.019271
"35013"	541.329866	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M-2H+Na"	20.974666
"474573"	801.507466	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M-2H+Na"	20.974666
"850186"	281.152266	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-2H+Na"	20.974666
"1624101"	281.152266	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Na-2H"	20.974666
"95645"	277.158663	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M-H+Cl"	33.962126
"536298"	407.247463	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M-H+Cl"	33.962126
"934796"	147.069863	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-H+Cl"	33.962126
"275542"	555.324602	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+Cl"	34.969402
"670152"	815.502202	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+Cl"	34.969402
"1284744"	295.147002	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Cl"	34.969402
"26937"	557.303806	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M-2H+K"	36.948606
"465768"	817.481406	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M-2H+K"	36.948606
"842475"	297.126206	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-2H+K"	36.948606
"1562682"	297.126206	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+K-2H"	36.948606
"951659"	305.175794	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-H+HCOOH"	44.998194
"367687"	565.353401	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+HCOOH-H"	44.998201
"352664"	579.369051	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+Hac-H"	59.013851
"1499680"	319.191451	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Hac-H"	59.013851
"963579"	327.157751	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-H+NaCOOH"	66.980151
"117953"	295.147002	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+2Cl"	69.938804
"559701"	425.235802	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+2Cl"	69.938804
"1030687"	165.058202	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2Cl"	69.938804
"1249172"	339.096485	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Br"	78.918885
"1312714"	341.152472	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Cl+HCOOH"	80.974872
"1324744"	363.134429	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Cl+NaCOOH"	102.956829
"915801"	373.163186	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M-H+CF3COOH"	112.985586
"1296891"	409.139864	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Cl+CF3COOH"	148.962264
"1379062"	225.164924	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H-2H2O"	-35.012676
"1393640"	243.1749	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H-H2O"	-17.0027
"293327"	521.362476	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+H"	1.007276
"682467"	781.540076	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+H"	1.007276
"1356639"	261.184876	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H"	1.007276
"131713"	261.184876	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+2H"	2.014552
"567990"	391.273676	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+2H"	2.014552
"1038978"	131.096076	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2H"	2.014552
"205297"	174.459009333333	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+3H"	3.021828
"646438"	261.184876	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+3H"	3.021828
"1163713"	87.7331426666667	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+3H"	3.021828
"428928"	538.389023	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+NH4"	18.033823
"788460"	798.566623	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+NH4"	18.033823
"1682969"	278.211423	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+NH4"	18.033823
"330643"	269.6981495	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+H+NH4"	19.041099
"724034"	399.7869495	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+H+NH4"	19.041099
"1478944"	139.6093495	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H+NH4"	19.041099
"395444"	543.344418	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+Na"	22.989218
"757175"	803.522018	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+Na"	22.989218
"1606003"	283.166818	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Na"	22.989218
"324061"	272.175847	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+H+Na"	23.996494
"709555"	402.264647	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+H+Na"	23.996494
"1463739"	142.087047	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H+Na"	23.996494
"1054804"	95.0604566666667	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2H+Na"	25.00377
"1263045"	293.211086	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+CH3OH+H"	33.033486
"385999"	559.318358	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+K"	38.963158
"749184"	819.495958	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+K"	38.963158
"1546865"	299.140758	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+K"	38.963158
"309506"	280.162817	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+H+K"	39.970434
"694272"	410.251617	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+H+K"	39.970434
"1451370"	150.074017	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H+K"	39.970434
"236122"	562.389026	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+ACN+H"	42.033826
"1210294"	302.211426	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+ACN+H"	42.033826
"1194264"	151.609351	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+ACN+2H"	43.041102
"188644"	565.32636	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+2Na-H"	44.97116
"628703"	825.50396	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+2Na-H"	44.97116
"1131890"	305.14876	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2Na-H"	44.97116
"173480"	283.166818	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+2Na"	45.978436
"612913"	413.255618	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+2Na"	45.978436
"1115815"	153.078018	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2Na"	45.978436
"1399588"	102.387770666667	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H+2Na"	46.985712
"1430730"	307.190346	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H+HCOOH"	47.012746
"225291"	288.19984	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+3H2O+2H"	56.04448
"1508725"	321.24239	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+IsoProp+H"	61.06479
"411944"	291.153788	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+Na+K"	61.952376
"780596"	421.242588	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+Na+K"	61.952376
"1675844"	161.064988	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Na+K"	61.952376
"264189"	584.370968	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+ACN+Na"	64.015768
"1237260"	324.193368	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+ACN+Na"	64.015768
"1725053"	324.216893	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+NH4+HCOOH"	64.039293
"1186039"	109.715084666667	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+3Na"	68.967654
"1655929"	329.172288	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Na+HCOOH"	68.994688
"166074"	597.27424	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+2K-H"	76.91904
"606729"	857.45184	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+2K-H"	76.91904
"1094524"	337.09664	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2K-H"	76.91904
"151340"	299.140758	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"2M+2K"	77.926316
"595641"	429.229558	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"3M+2K"	77.926316
"1077235"	169.051958	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2K"	77.926316
"1108985"	339.111192	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2K+H"	78.933592
"1345735"	339.198807	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+DMSO+H"	79.021207
"1010254"	343.237976	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2ACN+H"	83.060376
"1532754"	344.231608	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+IsoProp+Na+H"	84.054008
"995922"	172.122626	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+2ACN+2H"	84.067652
"1596986"	345.146228	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+K+HCOOH"	84.968628
"1417177"	375.177738	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+H+CF3COOH"	115.000138
"1152931"	192.635901	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+3ACN+2H"	125.094202
"1703577"	392.204285	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+NH4+CF3COOH"	132.026685
"1640321"	397.15968	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+Na+CF3COOH"	136.98208
"1574879"	413.13362	"C08449"	"Falcarindiol"	"C17H24O2"	"260.1776"	"M+K+CF3COOH"	152.95602
"811807"	244.1827	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M"	0
"979872"	225.16431	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-H2O-H"	-19.01839
"69207"	161.781190666667	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M-3H"	-3.021828
"506577"	243.175424	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M-3H"	-3.021828
"885473"	80.3869573333333	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-3H"	-3.021828
"4049"	243.175424	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M-2H"	-2.014552
"444703"	365.266774	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M-2H"	-2.014552
"822504"	121.084074	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-2H"	-2.014552
"90150"	487.358124	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M-H"	-1.007276
"530805"	731.540824	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M-H"	-1.007276
"903138"	243.175424	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-H"	-1.007276
"57514"	504.384671	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M-2H+NH4"	16.019271
"491609"	748.567371	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M-2H+NH4"	16.019271
"869410"	260.201971	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-2H+NH4"	16.019271
"34754"	509.340066	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M-2H+Na"	20.974666
"474681"	753.522766	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M-2H+Na"	20.974666
"852847"	265.157366	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-2H+Na"	20.974666
"1626397"	265.157366	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Na-2H"	20.974666
"96359"	261.163763	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M-H+Cl"	33.962126
"535559"	383.255113	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M-H+Cl"	33.962126
"934906"	139.072413	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-H+Cl"	33.962126
"277838"	523.334802	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+Cl"	34.969402
"670262"	767.517502	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+Cl"	34.969402
"1287527"	279.152102	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Cl"	34.969402
"28504"	525.314006	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M-2H+K"	36.948606
"465878"	769.496706	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M-2H+K"	36.948606
"842585"	281.131306	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-2H+K"	36.948606
"1564979"	281.131306	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+K-2H"	36.948606
"950676"	289.180894	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-H+HCOOH"	44.998194
"368891"	533.363601	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+HCOOH-H"	44.998201
"352774"	547.379251	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+Hac-H"	59.013851
"1497605"	303.196551	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Hac-H"	59.013851
"964784"	311.162851	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-H+NaCOOH"	66.980151
"116968"	279.152102	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+2Cl"	69.938804
"559811"	401.243452	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+2Cl"	69.938804
"1031890"	157.060752	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2Cl"	69.938804
"1248186"	323.101585	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Br"	78.918885
"1309544"	325.157572	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Cl+HCOOH"	80.974872
"1327040"	347.139529	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Cl+NaCOOH"	102.956829
"914815"	357.168286	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M-H+CF3COOH"	112.985586
"1296999"	393.144964	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Cl+CF3COOH"	148.962264
"1371880"	209.170024	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H-2H2O"	-35.012676
"1392656"	227.18	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H-H2O"	-17.0027
"294166"	489.372676	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+H"	1.007276
"684763"	733.555376	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+H"	1.007276
"1357843"	245.189976	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H"	1.007276
"129637"	245.189976	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+2H"	2.014552
"567371"	367.281326	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+2H"	2.014552
"1037426"	123.098626	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2H"	2.014552
"204355"	163.795742666667	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+3H"	3.021828
"645456"	245.189976	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+3H"	3.021828
"1165767"	82.4015093333333	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+3H"	3.021828
"427944"	506.399223	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+NH4"	18.033823
"788570"	750.581923	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+NH4"	18.033823
"1684538"	262.216523	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+NH4"	18.033823
"330508"	253.7032495	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+H+NH4"	19.041099
"724145"	375.7945995	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+H+NH4"	19.041099
"1477964"	131.6118995	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H+NH4"	19.041099
"394824"	511.354618	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+Na"	22.989218
"758378"	755.537318	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+Na"	22.989218
"1606842"	267.171918	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Na"	22.989218
"324171"	256.180947	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+H+Na"	23.996494
"711123"	378.272297	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+H+Na"	23.996494
"1468221"	134.089597	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H+Na"	23.996494
"1057101"	89.7288233333333	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2H+Na"	25.00377
"1263155"	277.216186	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+CH3OH+H"	33.033486
"386109"	527.328558	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+K"	38.963158
"747107"	771.511258	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+K"	38.963158
"1546975"	283.145858	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+K"	38.963158
"301962"	264.167917	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+H+K"	39.970434
"693652"	386.259267	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+H+K"	39.970434
"1449293"	142.076567	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H+K"	39.970434
"238257"	530.399226	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+ACN+H"	42.033826
"1212787"	286.216526	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+ACN+H"	42.033826
"1195007"	143.611901	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+ACN+2H"	43.041102
"189297"	533.33656	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+2Na-H"	44.97116
"629097"	777.51926	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+2Na-H"	44.97116
"1131869"	289.15386	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2Na-H"	44.97116
"173340"	267.171918	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+2Na"	45.978436
"613309"	389.263268	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+2Na"	45.978436
"1116535"	145.080568	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2Na"	45.978436
"1399816"	97.0561373333333	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H+2Na"	46.985712
"1431327"	291.195446	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H+HCOOH"	47.012746
"226494"	272.20494	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+3H2O+2H"	56.04448
"1509206"	305.24749	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+IsoProp+H"	61.06479
"412054"	275.158888	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+Na+K"	61.952376
"779613"	397.250238	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+Na+K"	61.952376
"1677047"	153.067538	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Na+K"	61.952376
"265393"	552.381168	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+ACN+Na"	64.015768
"1237371"	308.198468	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+ACN+Na"	64.015768
"1719330"	308.221993	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+NH4+HCOOH"	64.039293
"1186148"	104.383451333333	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+3Na"	68.967654
"1656040"	313.177388	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Na+HCOOH"	68.994688
"161809"	565.28444	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+2K-H"	76.91904
"607568"	809.46714	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+2K-H"	76.91904
"1091353"	321.10174	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2K-H"	76.91904
"154003"	283.145858	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"2M+2K"	77.926316
"594657"	405.237208	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"3M+2K"	77.926316
"1077345"	161.054508	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2K"	77.926316
"1109095"	323.116292	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2K+H"	78.933592
"1344752"	323.203907	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+DMSO+H"	79.021207
"1012551"	327.243076	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2ACN+H"	83.060376
"1532864"	328.236708	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+IsoProp+Na+H"	84.054008
"996032"	164.125176	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+2ACN+2H"	84.067652
"1596003"	329.151328	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+K+HCOOH"	84.968628
"1417287"	359.182838	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+H+CF3COOH"	115.000138
"1153041"	184.638451	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+3ACN+2H"	125.094202
"1702594"	376.209385	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+NH4+CF3COOH"	132.026685
"1640431"	381.16478	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+Na+CF3COOH"	136.98208
"1574989"	397.13872	"C08450"	"Falcarinol;Panaxynol"	"C17H24O"	"244.1827"	"M+K+CF3COOH"	152.95602
"815197"	242.1671	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M"	0
"985452"	223.14871	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-H2O-H"	-19.01839
"72598"	160.437457333333	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M-3H"	-3.021828
"507781"	241.159824	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M-3H"	-3.021828
"887771"	79.7150906666667	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-3H"	-3.021828
"5616"	241.159824	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M-2H"	-2.014552
"446270"	362.243374	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M-2H"	-2.014552
"822614"	120.076274	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-2H"	-2.014552
"88073"	483.326924	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M-H"	-1.007276
"529822"	725.494024	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M-H"	-1.007276
"903248"	241.159824	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-H"	-1.007276
"62001"	500.353471	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M-2H+NH4"	16.019271
"500467"	742.520571	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M-2H+NH4"	16.019271
"874988"	258.186371	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-2H+NH4"	16.019271
"34506"	505.308866	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M-2H+Na"	20.974666
"476251"	747.475966	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M-2H+Na"	20.974666
"851137"	263.141766	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-2H+Na"	20.974666
"1630883"	263.141766	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Na-2H"	20.974666
"100849"	259.148163	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M-H+Cl"	33.962126
"541505"	380.231713	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M-H+Cl"	33.962126
"937205"	138.064613	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-H+Cl"	33.962126
"276857"	519.303602	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+Cl"	34.969402
"670372"	761.470702	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+Cl"	34.969402
"1284966"	277.136502	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Cl"	34.969402
"27521"	521.282806	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M-2H+K"	36.948606
"467082"	763.449906	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M-2H+K"	36.948606
"841602"	279.115706	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-2H+K"	36.948606
"1565088"	279.115706	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+K-2H"	36.948606
"954067"	287.165294	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-H+HCOOH"	44.998194
"367908"	529.332401	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+HCOOH-H"	44.998201
"353978"	543.348051	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+Hac-H"	59.013851
"1499900"	301.180951	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Hac-H"	59.013851
"964894"	309.147251	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-H+NaCOOH"	66.980151
"115258"	277.136502	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+2Cl"	69.938804
"557734"	398.220052	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+2Cl"	69.938804
"1029815"	156.052952	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2Cl"	69.938804
"1246475"	321.085985	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Br"	78.918885
"1309654"	323.141972	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Cl+HCOOH"	80.974872
"1326059"	345.123929	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Cl+NaCOOH"	102.956829
"916021"	355.152686	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M-H+CF3COOH"	112.985586
"1301121"	391.129364	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Cl+CF3COOH"	148.962264
"1376366"	207.154424	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H-2H2O"	-35.012676
"1392403"	225.1644	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H-H2O"	-17.0027
"296463"	485.341476	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+H"	1.007276
"687061"	727.508576	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+H"	1.007276
"1360141"	243.174376	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H"	1.007276
"129747"	243.174376	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+2H"	2.014552
"567359"	364.257926	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+2H"	2.014552
"1038589"	122.090826	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2H"	2.014552
"206006"	162.452009333333	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+3H"	3.021828
"647754"	243.174376	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+3H"	3.021828
"1168065"	81.7296426666667	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+3H"	3.021828
"428055"	502.368023	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+NH4"	18.033823
"789409"	744.535123	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+NH4"	18.033823
"1684284"	260.200923	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+NH4"	18.033823
"331229"	251.6876495	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+H+NH4"	19.041099
"722992"	372.7711995	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+H+NH4"	19.041099
"1477167"	130.6040995	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H+NH4"	19.041099
"394447"	507.323418	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+Na"	22.989218
"758488"	749.490518	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+Na"	22.989218
"1606223"	265.156318	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Na"	22.989218
"323188"	254.165347	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+H+Na"	23.996494
"710504"	375.248897	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+H+Na"	23.996494
"1463959"	133.081797	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H+Na"	23.996494
"1056107"	89.0569566666667	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2H+Na"	25.00377
"1268733"	275.200586	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+CH3OH+H"	33.033486
"382935"	523.297358	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+K"	38.963158
"745028"	765.464458	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+K"	38.963158
"1544893"	281.130258	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+K"	38.963158
"299273"	262.152317	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+H+K"	39.970434
"694486"	383.235867	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+H+K"	39.970434
"1451587"	141.068767	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H+K"	39.970434
"237271"	526.368026	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+ACN+H"	42.033826
"1211441"	284.200926	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+ACN+H"	42.033826
"1195202"	142.604101	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+ACN+2H"	43.041102
"191841"	529.30536	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+2Na-H"	44.97116
"628960"	771.47246	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+2Na-H"	44.97116
"1133205"	287.13826	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2Na-H"	44.97116
"172959"	265.156318	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+2Na"	45.978436
"612873"	386.239868	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+2Na"	45.978436
"1116643"	144.072768	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2Na"	45.978436
"1399442"	96.3842706666667	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H+2Na"	46.985712
"1431801"	289.179846	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H+HCOOH"	47.012746
"222350"	270.18934	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+3H2O+2H"	56.04448
"1509561"	303.23189	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+IsoProp+H"	61.06479
"411068"	273.143288	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+Na+K"	61.952376
"777536"	394.226838	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+Na+K"	61.952376
"1677157"	152.059738	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Na+K"	61.952376
"256021"	548.349968	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+ACN+Na"	64.015768
"1234201"	306.182868	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+ACN+Na"	64.015768
"1723816"	306.206393	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+NH4+HCOOH"	64.039293
"1184072"	103.711584666667	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+3Na"	68.967654
"1657243"	311.161788	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Na+HCOOH"	68.994688
"160093"	561.25324	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+2K-H"	76.91904
"602574"	803.42034	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+2K-H"	76.91904
"1093650"	319.08614	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2K-H"	76.91904
"153385"	281.130258	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"2M+2K"	77.926316
"594038"	402.213808	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"3M+2K"	77.926316
"1080735"	160.046708	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2K"	77.926316
"1109569"	321.100692	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2K+H"	78.933592
"1344862"	321.188307	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+DMSO+H"	79.021207
"1012661"	325.227476	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2ACN+H"	83.060376
"1532974"	326.221108	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+IsoProp+Na+H"	84.054008
"992860"	163.117376	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+2ACN+2H"	84.067652
"1596113"	327.135728	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+K+HCOOH"	84.968628
"1417397"	357.167238	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+H+CF3COOH"	115.000138
"1152058"	183.630651	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+3ACN+2H"	125.094202
"1708171"	374.193785	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+NH4+CF3COOH"	132.026685
"1643821"	379.14918	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+Na+CF3COOH"	136.98208
"1578380"	395.12312	"C08451"	"Falcarinone;(Z)-19-Heptadecadiene-46-diyn-3-one"	"C17H22O"	"242.1671"	"M+K+CF3COOH"	152.95602
"816649"	214.0994	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M"	0
"983377"	195.08101	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"74898"	141.725657333333	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"508990"	213.092124	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"884603"	70.3591906666667	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"8647"	213.092124	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"448206"	320.141824	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"831476"	106.042424	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"90372"	427.191524	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"533093"	641.290924	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"907733"	213.092124	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"61625"	444.218071	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"492921"	658.317471	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"868537"	230.118671	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"32428"	449.173466	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"472026"	663.272866	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"850519"	235.074066	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1629898"	235.074066	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"107162"	231.080463	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"547818"	338.130163	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"942063"	124.030763	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"278794"	463.168202	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"672307"	677.267602	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1285442"	249.068802	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"28728"	465.147406	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"466099"	679.246806	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"846454"	251.048006	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1571110"	251.048006	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"955273"	259.097594	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"370207"	473.197001	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"354090"	487.212651	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1502925"	273.113251	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"972536"	281.079551	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"119373"	249.068802	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"556752"	356.118502	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1029925"	142.019102	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1247678"	293.018285	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1310128"	295.074272	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1326167"	317.056229	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"918319"	327.084986	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1302688"	363.061664	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1373193"	179.086724	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1387407"	197.0967	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"293657"	429.206076	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"686807"	643.305476	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1359158"	215.106676	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"130221"	215.106676	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"566498"	322.156376	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1037726"	108.056976	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"205386"	143.740209333333	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"648957"	215.106676	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1167082"	72.3737426666667	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"427070"	446.232623	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"789157"	660.332023	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1684396"	232.133223	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"330282"	223.6199495	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"723390"	330.6696495	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1477050"	116.5702495	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"396503"	451.188018	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"759693"	665.287418	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1606333"	237.088618	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"316368"	226.097647	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"708789"	333.147347	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1462973"	119.047947	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1054030"	79.7010566666667	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1267749"	247.132886	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"381951"	467.161958	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"742952"	681.261358	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1543910"	253.062558	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"299626"	234.084617	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"693503"	341.134317	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1452791"	127.034917	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"236653"	470.232626	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1213008"	256.133226	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1195798"	128.570251	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"192679"	473.16996	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"628706"	687.26936	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1131408"	259.07056	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"173203"	237.088618	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"613493"	344.138318	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1116270"	130.038918	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1399066"	87.0283706666667	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1433369"	261.112146	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"228901"	242.12164	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1512953"	275.16419	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"409357"	245.075588	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"777647"	352.125288	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1675082"	138.025888	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"256131"	492.214568	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1231392"	278.115168	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1719186"	278.138693	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1186368"	94.3556846666667	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1657353"	283.094088	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"157771"	505.11784	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"603777"	719.21724	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1093759"	291.01844	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"154587"	253.062558	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"592325"	360.112258	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1080481"	146.012858	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1110043"	293.032992	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1345336"	293.120607	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1012771"	297.159776	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1527616"	298.153408	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"992240"	149.083526	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1594035"	299.068028	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1416047"	329.099538	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1151074"	169.596801	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1702814"	346.126085	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1643931"	351.08148	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1578490"	367.05542	"C08452"	"Ichthyotherol;2H-Pyran-3-ol tetrahydro-2-(1-nonene-357-triynyl)- (2S-(2alpha(E)3beta))-"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"808856"	176.0837	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M"	0
"986765"	157.06531	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-H2O-H"	-19.01839
"73913"	116.381857333333	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M-3H"	-3.021828
"512380"	175.076424	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M-3H"	-3.021828
"885807"	57.6872906666667	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-3H"	-3.021828
"8757"	175.076424	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M-2H"	-2.014552
"443942"	263.118274	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M-2H"	-2.014552
"831219"	87.034574	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-2H"	-2.014552
"88295"	351.160124	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M-H"	-1.007276
"531136"	527.243824	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M-H"	-1.007276
"904563"	175.076424	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-H"	-1.007276
"60033"	368.186671	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M-2H+NH4"	16.019271
"489752"	544.270371	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M-2H+NH4"	16.019271
"866460"	192.102971	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-2H+NH4"	16.019271
"31806"	373.142066	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M-2H+Na"	20.974666
"472942"	549.225766	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M-2H+Na"	20.974666
"848760"	197.058366	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-2H+Na"	20.974666
"1627822"	197.058366	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Na-2H"	20.974666
"106179"	193.064763	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M-H+Cl"	33.962126
"547927"	281.106613	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M-H+Cl"	33.962126
"938523"	105.022913	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-H+Cl"	33.962126
"278175"	387.136802	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+Cl"	34.969402
"673148"	563.220502	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+Cl"	34.969402
"1285552"	211.053102	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Cl"	34.969402
"28475"	389.116006	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M-2H+K"	36.948606
"470233"	565.199706	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M-2H+K"	36.948606
"848257"	213.032306	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-2H+K"	36.948606
"1570910"	213.032306	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+K-2H"	36.948606
"957575"	221.081894	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-H+HCOOH"	44.998194
"371412"	397.165601	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+HCOOH-H"	44.998201
"356388"	411.181251	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+Hac-H"	59.013851
"1501944"	235.097551	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Hac-H"	59.013851
"970216"	243.063851	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-H+NaCOOH"	66.980151
"117661"	211.053102	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+2Cl"	69.938804
"561961"	299.094952	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+2Cl"	69.938804
"1032947"	123.011252	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2Cl"	69.938804
"1256175"	255.002585	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Br"	78.918885
"1316433"	257.058572	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Cl+HCOOH"	80.974872
"1335031"	279.040529	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Cl+NaCOOH"	102.956829
"920618"	289.069286	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M-H+CF3COOH"	112.985586
"1303652"	325.045964	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Cl+CF3COOH"	148.962264
"1379500"	141.071024	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H-2H2O"	-35.012676
"1392987"	159.081	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H-H2O"	-17.0027
"296683"	353.174676	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+H"	1.007276
"686917"	529.258376	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+H"	1.007276
"1357081"	177.090976	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H"	1.007276
"129237"	177.090976	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+2H"	2.014552
"566610"	265.132826	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+2H"	2.014552
"1039056"	89.049126	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2H"	2.014552
"204643"	118.396409333333	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+3H"	3.021828
"649067"	177.090976	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+3H"	3.021828
"1166098"	59.7018426666667	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+3H"	3.021828
"427182"	370.201223	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+NH4"	18.033823
"789269"	546.284923	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+NH4"	18.033823
"1685599"	194.117523	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+NH4"	18.033823
"332784"	185.6042495	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+H+NH4"	19.041099
"723422"	273.6460995	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+H+NH4"	19.041099
"1477719"	97.5623995	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H+NH4"	19.041099
"394060"	375.156618	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+Na"	22.989218
"759803"	551.240318	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+Na"	22.989218
"1606807"	199.072918	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Na"	22.989218
"317572"	188.081947	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+H+Na"	23.996494
"710356"	276.123797	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+H+Na"	23.996494
"1462353"	100.040097	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H+Na"	23.996494
"1053532"	67.0291566666667	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2H+Na"	25.00377
"1267860"	209.117186	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+CH3OH+H"	33.033486
"382062"	391.130558	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+K"	38.963158
"744155"	567.214258	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+K"	38.963158
"1544020"	215.046858	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+K"	38.963158
"298799"	196.068917	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+H+K"	39.970434
"691666"	284.110767	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+H+K"	39.970434
"1445889"	108.027067	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H+K"	39.970434
"236521"	394.201226	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+ACN+H"	42.033826
"1211295"	218.117526	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+ACN+H"	42.033826
"1194443"	109.562401	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+ACN+2H"	43.041102
"188973"	397.13856	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+2Na-H"	44.97116
"628779"	573.22226	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+2Na-H"	44.97116
"1132575"	221.05486	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2Na-H"	44.97116
"175864"	199.072918	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+2Na"	45.978436
"618341"	287.114768	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+2Na"	45.978436
"1117109"	111.031068	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2Na"	45.978436
"1400022"	74.3564706666667	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H+2Na"	46.985712
"1431290"	223.096446	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H+HCOOH"	47.012746
"220623"	204.10594	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+3H2O+2H"	56.04448
"1509412"	237.14849	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+IsoProp+H"	61.06479
"410923"	207.059888	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+Na+K"	61.952376
"777757"	295.101738	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+Na+K"	61.952376
"1678104"	119.018038	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Na+K"	61.952376
"259523"	416.183168	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+ACN+Na"	64.015768
"1228223"	240.099468	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+ACN+Na"	64.015768
"1718203"	240.122993	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+NH4+HCOOH"	64.039293
"1187571"	81.6837846666667	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+3Na"	68.967654
"1657463"	245.078388	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Na+HCOOH"	68.994688
"157275"	429.08644	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+2K-H"	76.91904
"603887"	605.17014	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+2K-H"	76.91904
"1096056"	253.00274	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2K-H"	76.91904
"153604"	215.046858	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"2M+2K"	77.926316
"593529"	303.088708	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"3M+2K"	77.926316
"1082049"	127.005008	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2K"	77.926316
"1109060"	255.017292	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2K+H"	78.933592
"1345082"	255.104907	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+DMSO+H"	79.021207
"1018714"	259.144076	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2ACN+H"	83.060376
"1532101"	260.137708	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+IsoProp+Na+H"	84.054008
"993080"	130.075676	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+2ACN+2H"	84.067652
"1591956"	261.052328	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+K+HCOOH"	84.968628
"1418710"	291.083838	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+H+CF3COOH"	115.000138
"1155559"	150.588951	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+3ACN+2H"	125.094202
"1706204"	308.110385	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+NH4+CF3COOH"	132.026685
"1644041"	313.06578	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+Na+CF3COOH"	136.98208
"1578600"	329.03972	"C08453"	"Lachnophyllum ester;2-Decene-46-diynoic acid methyl ester (E)-"	"C11H12O2"	"176.0837"	"M+K+CF3COOH"	152.95602
"816017"	301.2406	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M"	0
"986875"	282.22221	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-H2O-H"	-19.01839
"72930"	199.819790666667	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M-3H"	-3.021828
"511396"	300.233324	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M-3H"	-3.021828
"884823"	99.4062573333333	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-3H"	-3.021828
"6676"	300.233324	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M-2H"	-2.014552
"451705"	450.853624	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M-2H"	-2.014552
"827321"	149.613024	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-2H"	-2.014552
"91688"	601.473924	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M-H"	-1.007276
"531246"	902.714524	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M-H"	-1.007276
"904673"	300.233324	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-H"	-1.007276
"55768"	618.500471	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M-2H+NH4"	16.019271
"488397"	919.741071	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M-2H+NH4"	16.019271
"865473"	317.259871	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-2H+NH4"	16.019271
"33502"	623.455866	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M-2H+Na"	20.974666
"473183"	924.696466	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M-2H+Na"	20.974666
"849770"	322.215266	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-2H+Na"	20.974666
"1631583"	322.215266	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Na-2H"	20.974666
"107020"	318.221663	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M-H+Cl"	33.962126
"549501"	468.841963	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M-H+Cl"	33.962126
"940825"	167.601363	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-H+Cl"	33.962126
"277922"	637.450602	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+Cl"	34.969402
"674721"	938.691202	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+Cl"	34.969402
"1286027"	336.210002	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Cl"	34.969402
"29921"	639.429806	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M-2H+K"	36.948606
"469240"	940.670406	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M-2H+K"	36.948606
"846675"	338.189206	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-2H+K"	36.948606
"1569431"	338.189206	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+K-2H"	36.948606
"953307"	346.238794	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-H+HCOOH"	44.998194
"372616"	647.479401	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+HCOOH-H"	44.998201
"355409"	661.495051	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+Hac-H"	59.013851
"1504238"	360.254451	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Hac-H"	59.013851
"970691"	368.220751	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-H+NaCOOH"	66.980151
"119597"	336.210002	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+2Cl"	69.938804
"560252"	486.830302	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+2Cl"	69.938804
"1032331"	185.589702	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2Cl"	69.938804
"1251910"	380.159485	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Br"	78.918885
"1315086"	382.215472	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Cl+HCOOH"	80.974872
"1332952"	404.197429	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Cl+NaCOOH"	102.956829
"925714"	414.226186	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M-H+CF3COOH"	112.985586
"1302178"	450.202864	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Cl+CF3COOH"	148.962264
"1379608"	266.227924	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H-2H2O"	-35.012676
"1397597"	284.2379	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H-H2O"	-17.0027
"296064"	603.488476	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+H"	1.007276
"687391"	904.729076	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+H"	1.007276
"1360472"	302.247876	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H"	1.007276
"135547"	302.247876	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+2H"	2.014552
"569273"	452.868176	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+2H"	2.014552
"1039895"	151.627576	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2H"	2.014552
"207798"	201.834342666667	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+3H"	3.021828
"646259"	302.247876	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+3H"	3.021828
"1164385"	101.420809333333	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+3H"	3.021828
"425590"	620.515023	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+NH4"	18.033823
"789747"	921.755623	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+NH4"	18.033823
"1683161"	319.274423	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+NH4"	18.033823
"333261"	310.7611495	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+H+NH4"	19.041099
"725316"	461.3814495	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+H+NH4"	19.041099
"1480233"	160.1408495	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H+NH4"	19.041099
"397817"	625.470418	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+Na"	22.989218
"759915"	926.711018	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+Na"	22.989218
"1615668"	324.229818	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Na"	22.989218
"324611"	313.238847	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+H+Na"	23.996494
"710470"	463.859147	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+H+Na"	23.996494
"1466474"	162.618547	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H+Na"	23.996494
"1053886"	108.748123333333	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2H+Na"	25.00377
"1266878"	334.274086	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+CH3OH+H"	33.033486
"386549"	641.444358	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+K"	38.963158
"744267"	942.684958	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+K"	38.963158
"1547413"	340.203758	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+K"	38.963158
"299483"	321.225817	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+H+K"	39.970434
"698101"	471.846117	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+H+K"	39.970434
"1450827"	170.605517	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H+K"	39.970434
"238698"	644.515026	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+ACN+H"	42.033826
"1213592"	343.274426	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+ACN+H"	42.033826
"1194284"	172.140851	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+ACN+2H"	43.041102
"190714"	647.45236	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+2Na-H"	44.97116
"628932"	948.69296	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+2Na-H"	44.97116
"1131701"	346.21176	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2Na-H"	44.97116
"174517"	324.229818	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+2Na"	45.978436
"615900"	474.850118	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+2Na"	45.978436
"1120503"	173.609518	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2Na"	45.978436
"1398958"	116.075437333333	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H+2Na"	46.985712
"1430302"	348.253346	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H+HCOOH"	47.012746
"223287"	329.26284	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+3H2O+2H"	56.04448
"1508709"	362.30539	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+IsoProp+H"	61.06479
"409251"	332.216788	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+Na+K"	61.952376
"777867"	482.837088	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+Na+K"	61.952376
"1678218"	181.596488	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Na+K"	61.952376
"259635"	666.496968	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+ACN+Na"	64.015768
"1228333"	365.256368	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+ACN+Na"	64.015768
"1718313"	365.279893	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+NH4+HCOOH"	64.039293
"1184400"	123.402751333333	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+3Na"	68.967654
"1651496"	370.235288	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Na+HCOOH"	68.994688
"157296"	679.40024	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+2K-H"	76.91904
"599985"	980.64084	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+2K-H"	76.91904
"1092520"	378.15964	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2K-H"	76.91904
"148242"	340.203758	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"2M+2K"	77.926316
"592543"	490.824058	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"3M+2K"	77.926316
"1074503"	189.583458	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2K"	77.926316
"1106982"	380.174192	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2K+H"	78.933592
"1337292"	380.261807	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+DMSO+H"	79.021207
"1011897"	384.300976	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2ACN+H"	83.060376
"1530023"	385.294608	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+IsoProp+Na+H"	84.054008
"990516"	192.654126	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+2ACN+2H"	84.067652
"1587814"	386.209228	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+K+HCOOH"	84.968628
"1416634"	416.240738	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+H+CF3COOH"	115.000138
"1155669"	213.167401	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+3ACN+2H"	125.094202
"1706314"	433.267285	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+NH4+CF3COOH"	132.026685
"1640871"	438.22268	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+Na+CF3COOH"	136.98208
"1578710"	454.19662	"C08454"	"(EEE)-N-(2-Methylpropyl)hexadeca-268-trien-10-ynamide;(2E6E8E)-N-Isobutyl-268-hexadecatriene-10-yneamide"	"C20H31NO"	"301.2406"	"M+K+CF3COOH"	152.95602
"809076"	214.063	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M"	0
"985891"	195.04461	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"71946"	141.701390666667	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"510413"	213.055724	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"882747"	70.3470573333333	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"2049"	213.055724	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"445255"	320.087224	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"825242"	106.024224	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"81953"	427.118724	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"523701"	641.181724	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"898221"	213.055724	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"54785"	444.145271	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"487902"	658.208271	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"865093"	230.082271	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"32872"	449.100666	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"473404"	663.163666	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"849872"	235.037666	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1630232"	235.037666	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"107494"	231.044063	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"547053"	338.075563	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"942598"	124.012563	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"277303"	463.095402	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"674830"	677.158402	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1285408"	249.032402	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"30520"	465.074606	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"470685"	679.137606	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"846419"	251.011606	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1569541"	251.011606	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"955240"	259.061194	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"371633"	473.124201	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"354424"	487.139851	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1503984"	273.076851	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"971164"	281.043151	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"118614"	249.032402	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"558175"	356.063902	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1032441"	142.000902	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1249833"	292.981885	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1313374"	295.037872	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1333791"	317.019829	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"924852"	327.048586	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1302531"	363.025264	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1379718"	179.050324	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1397461"	197.0603	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"296174"	429.133276	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"687137"	643.196276	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1360582"	215.070276	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H"	1.007276
"135657"	215.070276	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"569383"	322.101776	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1040004"	108.038776	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"207541"	143.715942666667	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"647099"	215.070276	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1164861"	72.3616093333333	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"426310"	446.159823	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"791680"	660.222823	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1683271"	232.096823	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"333735"	223.5835495	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"726519"	330.6150495	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1479613"	116.5520495	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"395741"	451.115218	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"760025"	665.178218	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1611405"	237.052218	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"320348"	226.061247	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"711308"	333.092747	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1466584"	119.029747	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1054360"	79.6889233333333	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1262616"	247.096486	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"385566"	467.089158	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"745471"	681.152158	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1548616"	253.026158	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+K"	38.963158
"299837"	234.048217	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"693230"	341.079717	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1452032"	127.016717	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"236741"	470.159826	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1211270"	256.096826	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1195031"	128.552051	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"188628"	473.09716	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"629042"	687.16016	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1131773"	259.03416	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"174139"	237.052218	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"615037"	344.083718	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1115989"	130.020718	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1398907"	87.0162373333333	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1430413"	261.075746	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"220592"	242.08524	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1508552"	275.12779	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"409194"	245.039188	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"777977"	352.070688	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1679058"	138.007688	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"257556"	492.141768	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1229172"	278.078768	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1719151"	278.102293	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1180861"	94.3435513333333	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1651485"	283.057688	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"157738"	505.04504	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"604471"	719.10804	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1093360"	290.98204	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"149081"	253.026158	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"592288"	360.057658	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1077165"	145.994658	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1107092"	292.996592	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1340198"	293.084207	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1018570"	297.123376	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1535237"	298.117008	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"994393"	149.065326	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1593270"	299.031628	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1420024"	329.063138	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1153592"	169.578601	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1709704"	346.089685	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1640981"	351.04508	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1578820"	367.01902	"C08455"	"Mycosinol;(2E)-2-Hexa-24-diynylidene-16-dioxaspiro(44)nona-37-dien-9-ol"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"805906"	164.0626	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M"	0
"983814"	145.04421	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-H2O-H"	-19.01839
"73149"	108.367790666667	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M-3H"	-3.021828
"510523"	163.055324	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M-3H"	-3.021828
"886137"	53.6802573333333	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-3H"	-3.021828
"1430"	163.055324	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M-2H"	-2.014552
"442083"	245.086624	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M-2H"	-2.014552
"823165"	81.024024	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-2H"	-2.014552
"78904"	327.117924	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M-H"	-1.007276
"520531"	491.180524	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M-H"	-1.007276
"896744"	163.055324	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-H"	-1.007276
"49428"	344.144471	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M-2H+NH4"	16.019271
"487521"	508.207071	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M-2H+NH4"	16.019271
"866051"	180.081871	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-2H+NH4"	16.019271
"31647"	349.099866	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M-2H+Na"	20.974666
"472300"	513.162466	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M-2H+Na"	20.974666
"848807"	185.037266	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-2H+Na"	20.974666
"1625965"	185.037266	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Na-2H"	20.974666
"107604"	181.043663	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M-H+Cl"	33.962126
"546434"	263.074963	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M-H+Cl"	33.962126
"939584"	99.012363	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-H+Cl"	33.962126
"276319"	363.094602	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+Cl"	34.969402
"670927"	527.157202	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+Cl"	34.969402
"1282238"	199.032002	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Cl"	34.969402
"26979"	365.073806	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M-2H+K"	36.948606
"467634"	529.136406	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M-2H+K"	36.948606
"844343"	201.011206	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-2H+K"	36.948606
"1567829"	201.011206	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+K-2H"	36.948606
"950247"	209.060794	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-H+HCOOH"	44.998194
"364453"	373.123401	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+HCOOH-H"	44.998201
"351254"	387.139051	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+Hac-H"	59.013851
"1497898"	223.076451	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Hac-H"	59.013851
"965439"	231.042751	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-H+NaCOOH"	66.980151
"117626"	199.032002	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+2Cl"	69.938804
"552453"	281.063302	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+2Cl"	69.938804
"1024530"	117.000702	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2Cl"	69.938804
"1244839"	242.981485	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Br"	78.918885
"1309108"	245.037472	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Cl+HCOOH"	80.974872
"1327705"	267.019429	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Cl+NaCOOH"	102.956829
"922774"	277.048186	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M-H+CF3COOH"	112.985586
"1298751"	313.024864	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Cl+CF3COOH"	148.962264
"1374725"	129.049924	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H-2H2O"	-35.012676
"1390038"	147.0599	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H-H2O"	-17.0027
"294098"	329.132476	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+H"	1.007276
"683240"	493.195076	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+H"	1.007276
"1359601"	165.069876	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H"	1.007276
"133580"	165.069876	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+2H"	2.014552
"568400"	247.101176	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+2H"	2.014552
"1041573"	83.038576	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2H"	2.014552
"207649"	110.382342666667	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+3H"	3.021828
"646116"	165.069876	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+3H"	3.021828
"1163513"	55.6948093333333	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+3H"	3.021828
"424470"	346.159023	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+NH4"	18.033823
"786685"	510.221623	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+NH4"	18.033823
"1684839"	182.096423	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+NH4"	18.033823
"333481"	173.5831495	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+H+NH4"	19.041099
"723221"	255.6144495	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+H+NH4"	19.041099
"1477779"	91.5518495	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H+NH4"	19.041099
"395122"	351.114418	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+Na"	22.989218
"757947"	515.177018	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+Na"	22.989218
"1604951"	187.051818	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Na"	22.989218
"318267"	176.060847	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+H+Na"	23.996494
"712149"	258.092147	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+H+Na"	23.996494
"1464872"	94.029547	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H+Na"	23.996494
"1052886"	63.0221233333333	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2H+Na"	25.00377
"1266007"	197.096086	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+CH3OH+H"	33.033486
"385676"	367.088358	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+K"	38.963158
"752507"	531.150958	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+K"	38.963158
"1549821"	203.025758	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+K"	38.963158
"305903"	184.047817	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+H+K"	39.970434
"697231"	266.079117	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+H+K"	39.970434
"1448496"	102.016517	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H+K"	39.970434
"237096"	370.159026	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+ACN+H"	42.033826
"1210408"	206.096426	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+ACN+H"	42.033826
"1195145"	103.551851	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+ACN+2H"	43.041102
"189591"	373.09636	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+2Na-H"	44.97116
"629032"	537.15896	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+2Na-H"	44.97116
"1131565"	209.03376	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2Na-H"	44.97116
"173156"	187.051818	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+2Na"	45.978436
"613809"	269.083118	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+2Na"	45.978436
"1117194"	105.020518	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2Na"	45.978436
"1399138"	70.3494373333333	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H+2Na"	46.985712
"1430404"	211.075346	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H+HCOOH"	47.012746
"222412"	192.08484	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+3H2O+2H"	56.04448
"1510475"	225.12739	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+IsoProp+H"	61.06479
"408701"	195.038788	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+Na+K"	61.952376
"774807"	277.070088	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+Na+K"	61.952376
"1679772"	113.007488	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Na+K"	61.952376
"257666"	392.140968	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+ACN+Na"	64.015768
"1230740"	228.078368	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+ACN+Na"	64.015768
"1718533"	228.101893	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+NH4+HCOOH"	64.039293
"1182429"	77.6767513333333	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+3Na"	68.967654
"1653050"	233.057288	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Na+HCOOH"	68.994688
"159187"	405.04424	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+2K-H"	76.91904
"605309"	569.10684	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+2K-H"	76.91904
"1094928"	240.98164	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2K-H"	76.91904
"151743"	203.025758	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"2M+2K"	77.926316
"594221"	285.057058	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"3M+2K"	77.926316
"1081285"	120.994458	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2K"	77.926316
"1113767"	242.996192	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2K+H"	78.933592
"1346868"	243.083807	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+DMSO+H"	79.021207
"1020019"	247.122976	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2ACN+H"	83.060376
"1536806"	248.116608	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+IsoProp+Na+H"	84.054008
"999972"	124.065126	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+2ACN+2H"	84.067652
"1599942"	249.031228	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+K+HCOOH"	84.968628
"1423414"	279.062738	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+H+CF3COOH"	115.000138
"1159170"	144.578401	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+3ACN+2H"	125.094202
"1709815"	296.089285	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+NH4+CF3COOH"	132.026685
"1644371"	301.04468	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+Na+CF3COOH"	136.98208
"1582210"	317.01862	"C08456"	"Phenylheptatriyne;1-Phenylhepta-135-triyne"	"C13H8"	"164.0626"	"M+K+CF3COOH"	152.95602
"812576"	166.0783	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M"	0
"982831"	147.05991	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-H2O-H"	-19.01839
"68886"	109.711590666667	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M-3H"	-3.021828
"507351"	165.071024	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M-3H"	-3.021828
"882966"	54.3521573333333	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-3H"	-3.021828
"448"	165.071024	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M-2H"	-2.014552
"441101"	248.110174	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M-2H"	-2.014552
"819995"	82.031874	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-2H"	-2.014552
"79014"	331.149324	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M-H"	-1.007276
"519669"	497.227624	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M-H"	-1.007276
"896164"	165.071024	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-H"	-1.007276
"47510"	348.175871	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M-2H+NH4"	16.019271
"487131"	514.254171	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M-2H+NH4"	16.019271
"864499"	182.097571	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-2H+NH4"	16.019271
"31440"	353.131266	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M-2H+Na"	20.974666
"471594"	519.209566	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M-2H+Na"	20.974666
"848666"	187.052966	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-2H+Na"	20.974666
"1626075"	187.052966	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Na-2H"	20.974666
"109295"	183.059363	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M-H+Cl"	33.962126
"546544"	266.098513	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M-H+Cl"	33.962126
"937871"	100.020213	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-H+Cl"	33.962126
"276429"	367.126002	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+Cl"	34.969402
"669944"	533.204302	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+Cl"	34.969402
"1282348"	201.047702	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Cl"	34.969402
"25996"	369.105206	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M-2H+K"	36.948606
"463372"	535.183506	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M-2H+K"	36.948606
"844453"	203.026906	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-2H+K"	36.948606
"1566846"	203.026906	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+K-2H"	36.948606
"950357"	211.076494	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-H+HCOOH"	44.998194
"364199"	377.154801	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+HCOOH-H"	44.998201
"351364"	391.170451	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+Hac-H"	59.013851
"1498008"	225.092151	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Hac-H"	59.013851
"965549"	233.058451	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-H+NaCOOH"	66.980151
"114821"	201.047702	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+2Cl"	69.938804
"557296"	284.086852	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+2Cl"	69.938804
"1025007"	118.008552	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2Cl"	69.938804
"1246040"	244.997185	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Br"	78.918885
"1310311"	247.053172	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Cl+HCOOH"	80.974872
"1330002"	269.035129	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Cl+NaCOOH"	102.956829
"922154"	279.063886	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M-H+CF3COOH"	112.985586
"1296674"	315.040564	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Cl+CF3COOH"	148.962264
"1371555"	131.065624	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H-2H2O"	-35.012676
"1393429"	149.0756	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H-H2O"	-17.0027
"286555"	333.163876	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+H"	1.007276
"681163"	499.242176	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+H"	1.007276
"1360804"	167.085576	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H"	1.007276
"135877"	167.085576	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+2H"	2.014552
"571062"	250.124726	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+2H"	2.014552
"1042049"	84.046426	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2H"	2.014552
"208856"	111.726142666667	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+3H"	3.021828
"646954"	167.085576	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+3H"	3.021828
"1165446"	56.3667093333333	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+3H"	3.021828
"424579"	350.190423	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+NH4"	18.033823
"785816"	516.268723	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+NH4"	18.033823
"1681786"	184.112123	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+NH4"	18.033823
"330917"	175.5988495	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+H+NH4"	19.041099
"723580"	258.6379995	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+H+NH4"	19.041099
"1478740"	92.5596995	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H+NH4"	19.041099
"397054"	355.145818	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+Na"	22.989218
"756233"	521.224118	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+Na"	22.989218
"1607249"	189.067518	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Na"	22.989218
"316555"	178.076547	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+H+Na"	23.996494
"708612"	261.115697	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+H+Na"	23.996494
"1461780"	95.037397	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H+Na"	23.996494
"1052788"	63.6940233333333	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2H+Na"	25.00377
"1265019"	199.111786	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+CH3OH+H"	33.033486
"383600"	371.119758	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+K"	38.963158
"752617"	537.198058	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+K"	38.963158
"1553211"	205.041458	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+K"	38.963158
"307108"	186.063517	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+H+K"	39.970434
"694062"	269.102667	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+H+K"	39.970434
"1448973"	103.024367	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H+K"	39.970434
"237207"	374.190426	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+ACN+H"	42.033826
"1210357"	208.112126	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+ACN+H"	42.033826
"1195620"	104.559701	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+ACN+2H"	43.041102
"189137"	377.12776	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+2Na-H"	44.97116
"629061"	543.20606	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+2Na-H"	44.97116
"1131707"	211.04946	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2Na-H"	44.97116
"173305"	189.067518	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+2Na"	45.978436
"613555"	272.106668	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+2Na"	45.978436
"1117060"	106.028368	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2Na"	45.978436
"1398596"	71.0213373333333	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H+2Na"	46.985712
"1430271"	213.091046	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H+HCOOH"	47.012746
"222522"	194.10054	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+3H2O+2H"	56.04448
"1510951"	227.14309	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+IsoProp+H"	61.06479
"408971"	197.054488	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+Na+K"	61.952376
"772728"	280.093638	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+Na+K"	61.952376
"1680979"	114.015338	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Na+K"	61.952376
"262152"	396.172368	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+ACN+Na"	64.015768
"1229394"	230.094068	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+ACN+Na"	64.015768
"1723748"	230.117593	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+NH4+HCOOH"	64.039293
"1182541"	78.3486513333333	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+3Na"	68.967654
"1652432"	235.072988	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Na+HCOOH"	68.994688
"164765"	409.07564	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+2K-H"	76.91904
"604326"	575.15394	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+2K-H"	76.91904
"1094308"	242.99734	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2K-H"	76.91904
"151852"	205.041458	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"2M+2K"	77.926316
"592872"	288.080608	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"3M+2K"	77.926316
"1081394"	122.002308	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2K"	77.926316
"1112053"	245.011892	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2K+H"	78.933592
"1343698"	245.099507	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+DMSO+H"	79.021207
"1019154"	249.138676	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2ACN+H"	83.060376
"1535824"	250.132308	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+IsoProp+Na+H"	84.054008
"1002269"	125.072976	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+2ACN+2H"	84.067652
"1601145"	251.046928	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+K+HCOOH"	84.968628
"1419151"	281.078438	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+H+CF3COOH"	115.000138
"1156000"	145.586251	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+3ACN+2H"	125.094202
"1706645"	298.104985	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+NH4+CF3COOH"	132.026685
"1641201"	303.06038	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+Na+CF3COOH"	136.98208
"1579040"	319.03432	"C08457"	"1-Phenyl-5-heptene-13-diyne;Benzene 5-heptene-13-diynyl-"	"C13H10"	"166.0783"	"M+K+CF3COOH"	152.95602
"809406"	200.0837	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M"	0
"982941"	181.06531	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-H2O-H"	-19.01839
"68996"	132.381857333333	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M-3H"	-3.021828
"507462"	199.076424	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M-3H"	-3.021828
"881982"	65.6872906666667	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-3H"	-3.021828
"2746"	199.076424	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M-2H"	-2.014552
"442305"	299.118274	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M-2H"	-2.014552
"820105"	99.034574	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-2H"	-2.014552
"81190"	399.160124	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M-H"	-1.007276
"519900"	599.243824	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M-H"	-1.007276
"896240"	199.076424	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-H"	-1.007276
"47458"	416.186671	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M-2H+NH4"	16.019271
"487372"	616.270371	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M-2H+NH4"	16.019271
"864369"	216.102971	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-2H+NH4"	16.019271
"31745"	421.142066	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M-2H+Na"	20.974666
"471573"	621.225766	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M-2H+Na"	20.974666
"848902"	221.058366	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-2H+Na"	20.974666
"1626185"	221.058366	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Na-2H"	20.974666
"104907"	217.064763	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M-H+Cl"	33.962126
"546290"	317.106613	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M-H+Cl"	33.962126
"936888"	117.022913	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-H+Cl"	33.962126
"277633"	435.136802	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+Cl"	34.969402
"670054"	635.220502	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+Cl"	34.969402
"1282458"	235.053102	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Cl"	34.969402
"28294"	437.116006	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M-2H+K"	36.948606
"463482"	637.199706	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M-2H+K"	36.948606
"844563"	237.032306	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-2H+K"	36.948606
"1565863"	237.032306	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+K-2H"	36.948606
"947187"	245.081894	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-H+HCOOH"	44.998194
"364309"	445.165601	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+HCOOH-H"	44.998201
"350381"	459.181251	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+Hac-H"	59.013851
"1498120"	259.097551	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Hac-H"	59.013851
"966753"	267.063851	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-H+NaCOOH"	66.980151
"114933"	235.053102	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+2Cl"	69.938804
"555585"	335.094952	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+2Cl"	69.938804
"1030584"	135.011252	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2Cl"	69.938804
"1245422"	279.002585	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Br"	78.918885
"1311516"	281.058572	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Cl+HCOOH"	80.974872
"1323180"	303.040529	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Cl+NaCOOH"	102.956829
"914602"	313.069286	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M-H+CF3COOH"	112.985586
"1295690"	349.045964	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Cl+CF3COOH"	148.962264
"1373851"	165.071024	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H-2H2O"	-35.012676
"1393536"	183.081	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H-H2O"	-17.0027
"295775"	401.174676	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+H"	1.007276
"684550"	601.258376	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+H"	1.007276
"1360906"	201.090976	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H"	1.007276
"127598"	201.090976	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+2H"	2.014552
"573356"	301.132826	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+2H"	2.014552
"1044342"	101.049126	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2H"	2.014552
"210062"	134.396409333333	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+3H"	3.021828
"646700"	201.090976	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+3H"	3.021828
"1165190"	67.7018426666667	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+3H"	3.021828
"425910"	418.201223	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+NH4"	18.033823
"787147"	618.284923	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+NH4"	18.033823
"1684329"	218.117523	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+NH4"	18.033823
"332243"	209.6042495	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+H+NH4"	19.041099
"725029"	309.6460995	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+H+NH4"	19.041099
"1481767"	109.5623995	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H+NH4"	19.041099
"398257"	423.156618	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+Na"	22.989218
"760356"	623.240318	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+Na"	22.989218
"1606995"	223.072918	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Na"	22.989218
"316663"	212.081947	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+H+Na"	23.996494
"709087"	312.123797	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+H+Na"	23.996494
"1465823"	112.040097	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H+Na"	23.996494
"1053718"	75.0291566666667	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2H+Na"	25.00377
"1269505"	233.117186	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+CH3OH+H"	33.033486
"392776"	439.130558	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+K"	38.963158
"753093"	639.214258	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+K"	38.963158
"1552959"	239.046858	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+K"	38.963158
"305032"	220.068917	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+H+K"	39.970434
"694171"	320.110767	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+H+K"	39.970434
"1449085"	120.027067	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H+K"	39.970434
"238410"	442.201226	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+ACN+H"	42.033826
"1210017"	242.117526	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+ACN+H"	42.033826
"1195730"	121.562401	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+ACN+2H"	43.041102
"189695"	445.13856	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+2Na-H"	44.97116
"628586"	645.22226	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+2Na-H"	44.97116
"1131704"	245.05486	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2Na-H"	44.97116
"173251"	223.072918	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+2Na"	45.978436
"613256"	323.114768	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+2Na"	45.978436
"1116929"	123.031068	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2Na"	45.978436
"1399117"	82.3564706666667	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H+2Na"	46.985712
"1432572"	247.096446	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H+HCOOH"	47.012746
"222268"	228.10594	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+3H2O+2H"	56.04448
"1511060"	261.14849	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+IsoProp+H"	61.06479
"410379"	231.059888	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+Na+K"	61.952376
"775392"	331.101738	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+Na+K"	61.952376
"1677926"	131.018038	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Na+K"	61.952376
"261171"	464.183168	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+ACN+Na"	64.015768
"1234974"	264.099468	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+ACN+Na"	64.015768
"1720944"	264.122993	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+NH4+HCOOH"	64.039293
"1185569"	89.6837846666667	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+3Na"	68.967654
"1658012"	269.078388	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Na+HCOOH"	68.994688
"164510"	477.08644	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+2K-H"	76.91904
"605530"	677.17014	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+2K-H"	76.91904
"1097701"	277.00274	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2K-H"	76.91904
"153787"	239.046858	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"2M+2K"	77.926316
"594806"	339.088708	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"3M+2K"	77.926316
"1081140"	139.005008	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2K"	77.926316
"1109609"	279.017292	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2K+H"	78.933592
"1343808"	279.104907	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+DMSO+H"	79.021207
"1018899"	283.144076	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2ACN+H"	83.060376
"1538122"	284.137708	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+IsoProp+Na+H"	84.054008
"1002380"	142.075676	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+2ACN+2H"	84.067652
"1597976"	285.052328	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+K+HCOOH"	84.968628
"1428009"	315.083838	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+H+CF3COOH"	115.000138
"1159390"	162.588951	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+3ACN+2H"	125.094202
"1710035"	332.110385	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+NH4+CF3COOH"	132.026685
"1644591"	337.06578	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+Na+CF3COOH"	136.98208
"1579150"	353.03972	"C08458"	"Safynol;(2R3E11E)-311-Tridecadiene-579-triyne-12-diol"	"C13H12O2"	"200.0837"	"M+K+CF3COOH"	152.95602
"811703"	280.2402	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M"	0
"977582"	261.22181	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-H2O-H"	-19.01839
"69104"	185.819524	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M-3H"	-3.021828
"502941"	279.232924	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M-3H"	-3.021828
"881119"	92.406124	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-3H"	-3.021828
"788"	279.232924	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M-2H"	-2.014552
"440340"	419.353024	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M-2H"	-2.014552
"817533"	139.112824	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-2H"	-2.014552
"78985"	559.473124	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M-H"	-1.007276
"519393"	839.713324	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M-H"	-1.007276
"896224"	279.232924	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-H"	-1.007276
"49139"	576.499671	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M-2H+NH4"	16.019271
"487486"	856.739871	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M-2H+NH4"	16.019271
"864680"	296.259471	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-2H+NH4"	16.019271
"31974"	581.455066	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M-2H+Na"	20.974666
"472385"	861.695266	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M-2H+Na"	20.974666
"849949"	301.214866	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-2H+Na"	20.974666
"1623013"	301.214866	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Na-2H"	20.974666
"98454"	297.221263	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M-H+Cl"	33.962126
"541296"	437.341363	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M-H+Cl"	33.962126
"933716"	157.101163	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-H+Cl"	33.962126
"277742"	595.449802	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+Cl"	34.969402
"670164"	875.690002	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+Cl"	34.969402
"1284755"	315.209602	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Cl"	34.969402
"24029"	597.429006	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M-2H+K"	36.948606
"461405"	877.669206	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M-2H+K"	36.948606
"840299"	317.188806	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-2H+K"	36.948606
"1564880"	317.188806	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+K-2H"	36.948606
"948390"	325.238394	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-H+HCOOH"	44.998194
"368792"	605.478601	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+HCOOH-H"	44.998201
"352677"	619.494251	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+Hac-H"	59.013851
"1498230"	339.254051	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Hac-H"	59.013851
"966864"	347.220351	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-H+NaCOOH"	66.980151
"121603"	315.209602	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+2Cl"	69.938804
"559342"	455.329702	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+2Cl"	69.938804
"1028507"	175.089502	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2Cl"	69.938804
"1246262"	359.159085	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Br"	78.918885
"1310897"	361.215072	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Cl+HCOOH"	80.974872
"1325477"	383.197029	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Cl+NaCOOH"	102.956829
"916901"	393.225786	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M-H+CF3COOH"	112.985586
"1294707"	429.202464	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Cl+CF3COOH"	148.962264
"1372867"	245.227524	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H-2H2O"	-35.012676
"1388175"	263.2375	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H-H2O"	-17.0027
"287865"	561.487676	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+H"	1.007276
"680285"	841.727876	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+H"	1.007276
"1356642"	281.247476	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H"	1.007276
"130623"	281.247476	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+2H"	2.014552
"573466"	421.367576	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+2H"	2.014552
"1039713"	141.127376	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2H"	2.014552
"209807"	187.834076	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+3H"	3.021828
"646811"	281.247476	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+3H"	3.021828
"1163843"	94.420676	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+3H"	3.021828
"425656"	578.514223	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+NH4"	18.033823
"785920"	858.754423	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+NH4"	18.033823
"1681885"	298.274023	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+NH4"	18.033823
"330653"	289.7607495	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+H+NH4"	19.041099
"723679"	429.8808495	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+H+NH4"	19.041099
"1481511"	149.6406495	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H+NH4"	19.041099
"398367"	583.469618	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+Na"	22.989218
"760466"	863.709818	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+Na"	22.989218
"1606377"	303.229418	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Na"	22.989218
"315681"	292.238447	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+H+Na"	23.996494
"713207"	432.358547	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+H+Na"	23.996494
"1467026"	152.118347	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H+Na"	23.996494
"1053949"	101.74799	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2H+Na"	25.00377
"1259751"	313.273686	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+CH3OH+H"	33.033486
"384905"	599.443558	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+K"	38.963158
"751008"	879.683758	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+K"	38.963158
"1549052"	319.203358	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+K"	38.963158
"312427"	300.225417	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+H+K"	39.970434
"704484"	440.345517	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+H+K"	39.970434
"1448101"	160.105317	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H+K"	39.970434
"239250"	602.514226	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+ACN+H"	42.033826
"1210863"	322.274026	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+ACN+H"	42.033826
"1195232"	161.640651	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+ACN+2H"	43.041102
"189561"	605.45156	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+2Na-H"	44.97116
"629241"	885.69176	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+2Na-H"	44.97116
"1132873"	325.21136	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2Na-H"	44.97116
"173051"	303.229418	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+2Na"	45.978436
"614020"	443.349518	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+2Na"	45.978436
"1120686"	163.109318	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2Na"	45.978436
"1400321"	109.075304	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H+2Na"	46.985712
"1432318"	327.252946	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H+HCOOH"	47.012746
"222014"	308.26244	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+3H2O+2H"	56.04448
"1511171"	341.30499	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+H"	61.06479
"410489"	311.216388	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+Na+K"	61.952376
"775136"	451.336488	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+Na+K"	61.952376
"1679129"	171.096288	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Na+K"	61.952376
"259091"	624.496168	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+ACN+Na"	64.015768
"1236176"	344.255968	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+ACN+Na"	64.015768
"1722148"	344.279493	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+NH4+HCOOH"	64.039293
"1186042"	116.402618	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+3Na"	68.967654
"1660308"	349.234888	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Na+HCOOH"	68.994688
"166077"	637.39944	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+2K-H"	76.91904
"606734"	917.63964	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+2K-H"	76.91904
"1098665"	357.15924	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2K-H"	76.91904
"156452"	319.203358	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"2M+2K"	77.926316
"596134"	459.323458	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"3M+2K"	77.926316
"1083196"	179.083258	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2K"	77.926316
"1114218"	359.173792	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2K+H"	78.933592
"1346105"	359.261407	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+DMSO+H"	79.021207
"1017916"	363.300576	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2ACN+H"	83.060376
"1539205"	364.294208	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+IsoProp+Na+H"	84.054008
"1004314"	182.153926	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+2ACN+2H"	84.067652
"1600274"	365.208828	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+K+HCOOH"	84.968628
"1428121"	395.240338	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+H+CF3COOH"	115.000138
"1162660"	202.667201	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+3ACN+2H"	125.094202
"1711970"	412.266885	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+NH4+CF3COOH"	132.026685
"1644702"	417.22228	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+Na+CF3COOH"	136.98208
"1579260"	433.19622	"C08459"	"Stearolic acid;9-Stearolic acid"	"C18H32O2"	"280.2402"	"M+K+CF3COOH"	152.95602
"806345"	247.9788	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M"	0
"976964"	228.96041	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-H2O-H"	-19.01839
"68121"	164.311924	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M-3H"	-3.021828
"502965"	246.971524	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M-3H"	-3.021828
"880739"	81.652324	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-3H"	-3.021828
"777"	246.971524	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M-2H"	-2.014552
"441787"	370.960924	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M-2H"	-2.014552
"819226"	122.982124	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-2H"	-2.014552
"79946"	494.950324	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M-H"	-1.007276
"520965"	742.929124	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M-H"	-1.007276
"899860"	246.971524	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-H"	-1.007276
"48403"	511.976871	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M-2H+NH4"	16.019271
"488334"	759.955671	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M-2H+NH4"	16.019271
"865036"	263.998071	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-2H+NH4"	16.019271
"32213"	516.932266	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M-2H+Na"	20.974666
"472137"	764.911066	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M-2H+Na"	20.974666
"850546"	268.953466	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-2H+Na"	20.974666
"1622030"	268.953466	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Na-2H"	20.974666
"101844"	264.959863	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M-H+Cl"	33.962126
"542498"	388.949263	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M-H+Cl"	33.962126
"937106"	140.970463	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-H+Cl"	33.962126
"274572"	530.927002	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+Cl"	34.969402
"670272"	778.905802	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+Cl"	34.969402
"1282678"	282.948202	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Cl"	34.969402
"26326"	532.906206	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M-2H+K"	36.948606
"461515"	780.885006	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M-2H+K"	36.948606
"841502"	284.927406	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-2H+K"	36.948606
"1566812"	284.927406	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+K-2H"	36.948606
"946675"	292.976994	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-H+HCOOH"	44.998194
"365621"	540.955801	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+HCOOH-H"	44.998201
"352787"	554.971451	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+Hac-H"	59.013851
"1496153"	306.992651	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Hac-H"	59.013851
"962600"	314.958951	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-H+NaCOOH"	66.980151
"118067"	282.948202	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+2Cl"	69.938804
"558722"	406.937602	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+2Cl"	69.938804
"1027524"	158.958802	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2Cl"	69.938804
"1242606"	326.897685	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Br"	78.918885
"1309550"	328.953672	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Cl+HCOOH"	80.974872
"1325952"	350.935629	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Cl+NaCOOH"	102.956829
"915554"	360.964386	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M-H+CF3COOH"	112.985586
"1290808"	396.941064	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Cl+CF3COOH"	148.962264
"1370791"	212.966124	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H-2H2O"	-35.012676
"1388286"	230.9761	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H-H2O"	-17.0027
"287605"	496.964876	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+H"	1.007276
"680393"	744.943676	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+H"	1.007276
"1357846"	248.986076	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H"	1.007276
"129640"	248.986076	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+2H"	2.014552
"567014"	372.975476	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+2H"	2.014552
"1040184"	124.996676	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2H"	2.014552
"213557"	166.326476	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+3H"	3.021828
"654211"	248.986076	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+3H"	3.021828
"1165775"	83.666876	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+3H"	3.021828
"424628"	513.991423	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+NH4"	18.033823
"788220"	761.970223	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+NH4"	18.033823
"1685277"	266.012623	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+NH4"	18.033823
"337929"	257.4993495	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+H+NH4"	19.041099
"724154"	381.4887495	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+H+NH4"	19.041099
"1478341"	133.5099495	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H+NH4"	19.041099
"396290"	518.946818	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+Na"	22.989218
"760576"	766.925618	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+Na"	22.989218
"1606487"	270.968018	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Na"	22.989218
"315791"	259.977047	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+H+Na"	23.996494
"711130"	383.966447	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+H+Na"	23.996494
"1467136"	135.987647	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H+Na"	23.996494
"1053938"	90.99419	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2H+Na"	25.00377
"1259500"	281.012286	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+CH3OH+H"	33.033486
"388295"	534.920758	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+K"	38.963158
"750389"	782.899558	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+K"	38.963158
"1550255"	286.941958	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+K"	38.963158
"312537"	267.964017	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+H+K"	39.970434
"704594"	391.953417	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+H+K"	39.970434
"1449304"	143.974617	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H+K"	39.970434
"238268"	537.991426	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+ACN+H"	42.033826
"1211703"	290.012626	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+ACN+H"	42.033826
"1194735"	145.509951	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+ACN+2H"	43.041102
"191009"	540.92876	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+2Na-H"	44.97116
"629474"	788.90756	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+2Na-H"	44.97116
"1132251"	292.94996	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2Na-H"	44.97116
"177366"	270.968018	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+2Na"	45.978436
"619114"	394.957418	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+2Na"	45.978436
"1124442"	146.978618	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2Na"	45.978436
"1404685"	98.321504	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H+2Na"	46.985712
"1433522"	294.991546	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H+HCOOH"	47.012746
"223582"	276.00104	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+3H2O+2H"	56.04448
"1510552"	309.04359	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+IsoProp+H"	61.06479
"409991"	278.954988	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+Na+K"	61.952376
"775247"	402.944388	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+Na+K"	61.952376
"1675962"	154.965588	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Na+K"	61.952376
"257013"	559.973368	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+ACN+Na"	64.015768
"1230818"	311.994568	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+ACN+Na"	64.015768
"1719702"	312.018093	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+NH4+HCOOH"	64.039293
"1187975"	105.648818	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+3Na"	68.967654
"1653856"	316.973488	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Na+HCOOH"	68.994688
"161079"	572.87664	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+2K-H"	76.91904
"606839"	820.85544	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+2K-H"	76.91904
"1092447"	324.89784	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2K-H"	76.91904
"148170"	286.941958	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"2M+2K"	77.926316
"592105"	410.931358	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"3M+2K"	77.926316
"1080995"	162.952558	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2K"	77.926316
"1113112"	326.912392	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2K+H"	78.933592
"1350717"	327.000007	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+DMSO+H"	79.021207
"1018029"	331.039176	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2ACN+H"	83.060376
"1539480"	332.032808	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+IsoProp+Na+H"	84.054008
"1003694"	166.023226	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+2ACN+2H"	84.067652
"1599291"	332.947428	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+K+HCOOH"	84.968628
"1429448"	362.978938	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+H+CF3COOH"	115.000138
"1162406"	186.536501	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+3ACN+2H"	125.094202
"1711840"	380.005485	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+NH4+CF3COOH"	132.026685
"1643719"	384.96088	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+Na+CF3COOH"	136.98208
"1579370"	400.93482	"C08460"	"alpha-Terthienyl;Terthiophene"	"C12H8S3"	"247.9788"	"M+K+CF3COOH"	152.95602
"806455"	228.0067	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M"	0
"977074"	208.98831	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H2O-H"	-19.01839
"67137"	150.997190666667	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-3H"	-3.021828
"504141"	226.999424	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-3H"	-3.021828
"881700"	74.9949573333333	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-3H"	-3.021828
"1004"	226.999424	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H"	-2.014552
"442625"	341.002774	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H"	-2.014552
"818970"	112.996074	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H"	-2.014552
"82610"	455.006124	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-H"	-1.007276
"521075"	683.012824	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-H"	-1.007276
"899970"	226.999424	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H"	-1.007276
"53252"	472.032671	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H+NH4"	16.019271
"492811"	700.039371	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H+NH4"	16.019271
"866969"	244.025971	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H+NH4"	16.019271
"32323"	476.988066	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H+Na"	20.974666
"472122"	704.994766	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H+Na"	20.974666
"851507"	248.981366	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H+Na"	20.974666
"1619223"	248.981366	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na-2H"	20.974666
"103047"	244.987763	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-H+Cl"	33.962126
"540421"	358.991113	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-H+Cl"	33.962126
"931749"	130.984413	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+Cl"	33.962126
"274682"	490.982802	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Cl"	34.969402
"670382"	718.989502	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+Cl"	34.969402
"1284974"	262.976102	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl"	34.969402
"25343"	492.962006	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H+K"	36.948606
"461625"	720.968706	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H+K"	36.948606
"839425"	264.955306	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H+K"	36.948606
"1565099"	264.955306	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K-2H"	36.948606
"947516"	273.004894	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+HCOOH"	44.998194
"365731"	501.011601	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+HCOOH-H"	44.998201
"350710"	515.027251	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Hac-H"	59.013851
"1497357"	287.020551	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Hac-H"	59.013851
"961252"	294.986851	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+NaCOOH"	66.980151
"114898"	262.976102	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2Cl"	69.938804
"557738"	376.979452	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2Cl"	69.938804
"1030913"	148.972752	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2Cl"	69.938804
"1242959"	306.925585	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Br"	78.918885
"1310752"	308.981572	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl+HCOOH"	80.974872
"1324969"	330.963529	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl+NaCOOH"	102.956829
"917122"	340.992286	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+CF3COOH"	112.985586
"1290189"	376.968964	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl+CF3COOH"	148.962264
"1374181"	192.994024	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H-2H2O"	-35.012676
"1385117"	211.004	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H-H2O"	-17.0027
"286988"	457.020676	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H"	1.007276
"679410"	685.027376	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H"	1.007276
"1355769"	229.013976	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H"	1.007276
"131936"	229.013976	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2H"	2.014552
"569311"	343.017326	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2H"	2.014552
"1041388"	115.010626	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2H"	2.014552
"209656"	153.011742666667	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+3H"	3.021828
"648124"	229.013976	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+3H"	3.021828
"1166249"	77.0095093333333	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+3H"	3.021828
"424577"	474.047223	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+NH4"	18.033823
"785895"	702.053923	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+NH4"	18.033823
"1683201"	246.040523	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+NH4"	18.033823
"330748"	237.5272495	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H+NH4"	19.041099
"737020"	351.5305995	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H+NH4"	19.041099
"1482091"	123.5238995	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+NH4"	19.041099
"393602"	479.002618	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Na"	22.989218
"760686"	707.009318	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+Na"	22.989218
"1606597"	250.995918	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na"	22.989218
"317723"	240.004947	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H+Na"	23.996494
"713427"	354.008297	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H+Na"	23.996494
"1467246"	126.001597	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+Na"	23.996494
"1054655"	84.3368233333333	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2H+Na"	25.00377
"1257908"	261.040186	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+CH3OH+H"	33.033486
"385126"	494.976558	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+K"	38.963158
"750499"	722.983258	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+K"	38.963158
"1549272"	266.969858	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K"	38.963158
"311919"	247.991917	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H+K"	39.970434
"704704"	361.995267	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H+K"	39.970434
"1450507"	133.988567	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+K"	39.970434
"239108"	498.047226	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+ACN+H"	42.033826
"1214003"	270.040526	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+ACN+H"	42.033826
"1195331"	135.523901	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+ACN+2H"	43.041102
"190268"	500.98456	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2Na-H"	44.97116
"628812"	728.99126	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2Na-H"	44.97116
"1132602"	272.97786	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2Na-H"	44.97116
"175654"	250.995918	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2Na"	45.978436
"618860"	364.999268	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2Na"	45.978436
"1124552"	136.992568	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2Na"	45.978436
"1404795"	91.6641373333333	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+2Na"	46.985712
"1431930"	275.019446	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+HCOOH"	47.012746
"222963"	256.02894	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+3H2O+2H"	56.04448
"1510298"	289.07149	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+IsoProp+H"	61.06479
"410345"	258.982888	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Na+K"	61.952376
"776449"	372.986238	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+Na+K"	61.952376
"1676072"	144.979538	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na+K"	61.952376
"259310"	520.029168	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+ACN+Na"	64.015768
"1233115"	292.022468	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+ACN+Na"	64.015768
"1722000"	292.045993	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+NH4+HCOOH"	64.039293
"1186261"	98.9914513333333	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+3Na"	68.967654
"1655059"	297.001388	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na+HCOOH"	68.994688
"160824"	532.93244	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2K-H"	76.91904
"606949"	760.93914	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2K-H"	76.91904
"1095837"	304.92574	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2K-H"	76.91904
"149374"	266.969858	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2K"	77.926316
"592215"	380.973208	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2K"	77.926316
"1080012"	152.966508	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2K"	77.926316
"1111036"	306.940292	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2K+H"	78.933592
"1350465"	307.027907	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+DMSO+H"	79.021207
"1018139"	311.067076	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2ACN+H"	83.060376
"1539429"	312.060708	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+IsoProp+Na+H"	84.054008
"1002711"	156.037176	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2ACN+2H"	84.067652
"1598308"	312.975328	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K+HCOOH"	84.968628
"1428341"	343.006838	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+CF3COOH"	115.000138
"1162598"	176.550451	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+3ACN+2H"	125.094202
"1711828"	360.033385	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+NH4+CF3COOH"	132.026685
"1647109"	364.98878	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na+CF3COOH"	136.98208
"1582760"	380.96272	"C08461"	"Thiarubrine A;Thiarubrin A;3-(5-Hexene-13-diynyl)-6-(1-propynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K+CF3COOH"	152.95602
"803649"	228.0067	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M"	0
"980099"	208.98831	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H2O-H"	-19.01839
"66153"	150.997190666667	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-3H"	-3.021828
"504252"	226.999424	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-3H"	-3.021828
"882417"	74.9949573333333	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-3H"	-3.021828
"3183"	226.999424	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H"	-2.014552
"442007"	341.002774	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H"	-2.014552
"819810"	112.996074	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H"	-2.014552
"82355"	455.006124	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-H"	-1.007276
"522280"	683.012824	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-H"	-1.007276
"898987"	226.999424	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H"	-1.007276
"51539"	472.032671	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H+NH4"	16.019271
"490370"	700.039371	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H+NH4"	16.019271
"865986"	244.025971	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H+NH4"	16.019271
"32191"	476.988066	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H+Na"	20.974666
"472721"	704.994766	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H+Na"	20.974666
"851617"	248.981366	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H+Na"	20.974666
"1622250"	248.981366	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na-2H"	20.974666
"104980"	244.987763	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-H+Cl"	33.962126
"541624"	358.991113	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-H+Cl"	33.962126
"938784"	130.984413	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+Cl"	33.962126
"276612"	490.982802	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Cl"	34.969402
"665023"	718.989502	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+Cl"	34.969402
"1279616"	262.976102	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl"	34.969402
"22172"	492.962006	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M-2H+K"	36.948606
"462826"	720.968706	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M-2H+K"	36.948606
"839534"	264.955306	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-2H+K"	36.948606
"1559375"	264.955306	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K-2H"	36.948606
"948720"	273.004894	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+HCOOH"	44.998194
"363287"	501.011601	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+HCOOH-H"	44.998201
"350820"	515.027251	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Hac-H"	59.013851
"1496374"	287.020551	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Hac-H"	59.013851
"963914"	294.986851	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+NaCOOH"	66.980151
"117194"	262.976102	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2Cl"	69.938804
"556754"	376.979452	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2Cl"	69.938804
"1027743"	148.972752	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2Cl"	69.938804
"1242947"	306.925585	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Br"	78.918885
"1309767"	308.981572	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl+HCOOH"	80.974872
"1322894"	330.963529	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl+NaCOOH"	102.956829
"916139"	340.992286	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M-H+CF3COOH"	112.985586
"1289813"	376.968964	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Cl+CF3COOH"	148.962264
"1374291"	192.994024	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H-2H2O"	-35.012676
"1385227"	211.004	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H-H2O"	-17.0027
"287098"	457.020676	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H"	1.007276
"678427"	685.027376	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H"	1.007276
"1355870"	229.013976	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H"	1.007276
"130953"	229.013976	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2H"	2.014552
"571608"	343.017326	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2H"	2.014552
"1039675"	115.010626	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2H"	2.014552
"209035"	153.011742666667	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+3H"	3.021828
"650057"	229.013976	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+3H"	3.021828
"1166723"	77.0095093333333	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+3H"	3.021828
"424893"	474.047223	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+NH4"	18.033823
"785844"	702.053923	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+NH4"	18.033823
"1681852"	246.040523	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+NH4"	18.033823
"331951"	237.5272495	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H+NH4"	19.041099
"737738"	351.5305995	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H+NH4"	19.041099
"1482201"	123.5238995	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+NH4"	19.041099
"393592"	479.002618	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Na"	22.989218
"760796"	707.009318	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+Na"	22.989218
"1606707"	250.995918	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na"	22.989218
"317104"	240.004947	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H+Na"	23.996494
"713537"	354.008297	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H+Na"	23.996494
"1467356"	126.001597	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+Na"	23.996494
"1054765"	84.3368233333333	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2H+Na"	25.00377
"1257896"	261.040186	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+CH3OH+H"	33.033486
"387422"	494.976558	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+K"	38.963158
"745141"	722.983258	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+K"	38.963158
"1550476"	266.969858	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K"	38.963158
"312393"	247.991917	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+H+K"	39.970434
"705907"	361.995267	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+H+K"	39.970434
"1453899"	133.988567	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+K"	39.970434
"240311"	498.047226	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+ACN+H"	42.033826
"1213385"	270.040526	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+ACN+H"	42.033826
"1200181"	135.523901	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+ACN+2H"	43.041102
"191230"	500.98456	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2Na-H"	44.97116
"629814"	728.99126	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2Na-H"	44.97116
"1131740"	272.97786	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2Na-H"	44.97116
"177587"	250.995918	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2Na"	45.978436
"622250"	364.999268	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2Na"	45.978436
"1124662"	136.992568	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2Na"	45.978436
"1404905"	91.6641373333333	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+2Na"	46.985712
"1432649"	275.019446	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+HCOOH"	47.012746
"223438"	256.02894	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+3H2O+2H"	56.04448
"1511501"	289.07149	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+IsoProp+H"	61.06479
"412276"	258.982888	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+Na+K"	61.952376
"776559"	372.986238	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+Na+K"	61.952376
"1680432"	144.979538	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na+K"	61.952376
"260514"	520.029168	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+ACN+Na"	64.015768
"1234318"	292.022468	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+ACN+Na"	64.015768
"1724297"	292.045993	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+NH4+HCOOH"	64.039293
"1185278"	98.9914513333333	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+3Na"	68.967654
"1658448"	297.001388	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na+HCOOH"	68.994688
"161300"	532.93244	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2K-H"	76.91904
"607788"	760.93914	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2K-H"	76.91904
"1093762"	304.92574	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2K-H"	76.91904
"149484"	266.969858	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"2M+2K"	77.926316
"590139"	380.973208	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"3M+2K"	77.926316
"1083160"	152.966508	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2K"	77.926316
"1112239"	306.940292	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2K+H"	78.933592
"1350332"	307.027907	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+DMSO+H"	79.021207
"1020194"	311.067076	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2ACN+H"	83.060376
"1538440"	312.060708	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+IsoProp+Na+H"	84.054008
"1002821"	156.037176	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+2ACN+2H"	84.067652
"1601699"	312.975328	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K+HCOOH"	84.968628
"1429423"	343.006838	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+H+CF3COOH"	115.000138
"1162587"	176.550451	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+3ACN+2H"	125.094202
"1712612"	360.033385	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+NH4+CF3COOH"	132.026685
"1647219"	364.98878	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+Na+CF3COOH"	136.98208
"1582870"	380.96272	"C08462"	"Thiarubrine B;Thiarubrin B;3-(3-Buten-1-ynyl)-6-(13-pentadiynyl)-12-dithiin"	"C13H8S2"	"228.0067"	"M+K+CF3COOH"	152.95602
"806675"	74.0156	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M"	0
"976930"	54.99721	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-H2O-H"	-19.01839
"66264"	48.3364573333333	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M-3H"	-3.021828
"503998"	73.008324	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M-3H"	-3.021828
"880706"	23.6645906666667	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-3H"	-3.021828
"3293"	73.008324	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M-2H"	-2.014552
"440177"	110.016124	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M-2H"	-2.014552
"818948"	36.000524	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-2H"	-2.014552
"80644"	147.023924	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M-H"	-1.007276
"518700"	221.039524	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M-H"	-1.007276
"897153"	73.008324	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-H"	-1.007276
"48489"	164.050471	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M-2H+NH4"	16.019271
"488172"	238.066071	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M-2H+NH4"	16.019271
"865369"	90.034871	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-2H+NH4"	16.019271
"32419"	169.005866	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M-2H+Na"	20.974666
"472833"	243.021466	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M-2H+Na"	20.974666
"853917"	94.990266	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-2H+Na"	20.974666
"1622360"	94.990266	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Na-2H"	20.974666
"103267"	90.996663	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M-H+Cl"	33.962126
"542828"	128.004463	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M-H+Cl"	33.962126
"936342"	53.988863	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-H+Cl"	33.962126
"272712"	183.000602	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+Cl"	34.969402
"669141"	257.016202	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+Cl"	34.969402
"1277173"	108.985002	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Cl"	34.969402
"21550"	184.979806	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M-2H+K"	36.948606
"462935"	258.995406	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M-2H+K"	36.948606
"838184"	110.964206	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-2H+K"	36.948606
"1563128"	110.964206	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+K-2H"	36.948606
"945550"	119.013794	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-H+HCOOH"	44.998194
"364491"	193.029401	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+HCOOH-H"	44.998201
"353116"	207.045051	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+Hac-H"	59.013851
"1497578"	133.029451	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Hac-H"	59.013851
"964025"	140.995751	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-H+NaCOOH"	66.980151
"115118"	108.985002	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+2Cl"	69.938804
"554678"	145.992802	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+2Cl"	69.938804
"1028946"	71.977202	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2Cl"	69.938804
"1244149"	152.934485	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Br"	78.918885
"1309149"	154.990472	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Cl+HCOOH"	80.974872
"1321911"	176.972429	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Cl+NaCOOH"	102.956829
"917341"	187.001186	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M-H+CF3COOH"	112.985586
"1289681"	222.977864	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Cl+CF3COOH"	148.962264
"1374401"	39.002924	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H-2H2O"	-35.012676
"1385701"	57.0129	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H-H2O"	-17.0027
"287208"	149.038476	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+H"	1.007276
"678171"	223.054076	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+H"	1.007276
"1355980"	75.022876	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H"	1.007276
"129970"	75.022876	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+2H"	2.014552
"566612"	112.030676	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+2H"	2.014552
"1038691"	38.015076	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2H"	2.014552
"208051"	50.3510093333333	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+3H"	3.021828
"646156"	75.022876	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+3H"	3.021828
"1165010"	25.6791426666667	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+3H"	3.021828
"424879"	166.065023	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+NH4"	18.033823
"785757"	240.080623	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+NH4"	18.033823
"1682447"	92.049423	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+NH4"	18.033823
"331453"	83.5361495	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+H+NH4"	19.041099
"736875"	120.5439495	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+H+NH4"	19.041099
"1485591"	46.5283495	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H+NH4"	19.041099
"394429"	171.020418	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+Na"	22.989218
"754466"	245.036018	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+Na"	22.989218
"1606817"	97.004818	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Na"	22.989218
"316121"	86.013847	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+H+Na"	23.996494
"711461"	123.021647	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+H+Na"	23.996494
"1467466"	49.006047	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H+Na"	23.996494
"1053782"	33.0064566666667	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2H+Na"	25.00377
"1258737"	107.049086	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+CH3OH+H"	33.033486
"386439"	186.994358	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+K"	38.963158
"745251"	261.009958	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+K"	38.963158
"1552045"	112.978758	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+K"	38.963158
"312503"	94.000817	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+H+K"	39.970434
"704560"	131.008617	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+H+K"	39.970434
"1460204"	56.993017	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H+K"	39.970434
"241514"	190.065026	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+ACN+H"	42.033826
"1213130"	116.049426	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+ACN+H"	42.033826
"1199197"	58.528351	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+ACN+2H"	43.041102
"189513"	193.00236	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+2Na-H"	44.97116
"631628"	267.01796	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+2Na-H"	44.97116
"1134771"	118.98676	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2Na-H"	44.97116
"179520"	97.004818	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+2Na"	45.978436
"623454"	134.012618	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+2Na"	45.978436
"1123679"	59.997018	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2Na"	45.978436
"1405015"	40.3337706666667	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H+2Na"	46.985712
"1434946"	121.028346	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H+HCOOH"	47.012746
"221359"	102.03784	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+3H2O+2H"	56.04448
"1510150"	135.08039	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+IsoProp+H"	61.06479
"411658"	104.991788	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+Na+K"	61.952376
"775576"	141.999588	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+Na+K"	61.952376
"1680299"	67.983988	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Na+K"	61.952376
"260624"	212.046968	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+ACN+Na"	64.015768
"1236615"	138.031368	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+ACN+Na"	64.015768
"1722220"	138.054893	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+NH4+HCOOH"	64.039293
"1186481"	47.6610846666667	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+3Na"	68.967654
"1658558"	143.010288	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Na+HCOOH"	68.994688
"160074"	224.95024	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+2K-H"	76.91904
"604982"	298.96584	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+2K-H"	76.91904
"1097150"	150.93464	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2K-H"	76.91904
"149594"	112.978758	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"2M+2K"	77.926316
"583687"	149.986558	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"3M+2K"	77.926316
"1080230"	75.970958	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2K"	77.926316
"1113564"	152.949192	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2K+H"	78.933592
"1351173"	153.036807	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+DMSO+H"	79.021207
"1020791"	157.075976	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2ACN+H"	83.060376
"1539280"	158.069608	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+IsoProp+Na+H"	84.054008
"1002931"	79.041626	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+2ACN+2H"	84.067652
"1599621"	158.984228	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+K+HCOOH"	84.968628
"1428561"	189.015738	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+H+CF3COOH"	115.000138
"1161035"	99.554901	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+3ACN+2H"	125.094202
"1712607"	206.042285	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+NH4+CF3COOH"	132.026685
"1647329"	210.99768	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+Na+CF3COOH"	136.98208
"1582980"	226.97162	"C08463"	"Triacetylene;135-Hexatriyne"	"C6H2"	"74.0156"	"M+K+CF3COOH"	152.95602
"806785"	162.047	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M"	0
"981413"	143.02861	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-H2O-H"	-19.01839
"68560"	107.024057333333	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M-3H"	-3.021828
"507024"	161.039724	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M-3H"	-3.021828
"881301"	53.0083906666667	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-3H"	-3.021828
"3404"	161.039724	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M-2H"	-2.014552
"440776"	242.063224	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M-2H"	-2.014552
"818088"	80.016224	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-2H"	-2.014552
"81847"	323.086724	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M-H"	-1.007276
"519340"	485.133724	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M-H"	-1.007276
"896656"	161.039724	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-H"	-1.007276
"50302"	340.113271	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M-2H+NH4"	16.019271
"488404"	502.160271	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M-2H+NH4"	16.019271
"865109"	178.066271	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-2H+NH4"	16.019271
"33385"	345.068666	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M-2H+Na"	20.974666
"476226"	507.115666	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M-2H+Na"	20.974666
"854027"	183.021666	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-2H+Na"	20.974666
"1626844"	183.021666	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Na-2H"	20.974666
"105563"	179.028063	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M-H+Cl"	33.962126
"547921"	260.051563	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M-H+Cl"	33.962126
"939732"	98.004563	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-H+Cl"	33.962126
"281816"	359.063402	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+Cl"	34.969402
"672896"	521.110402	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+Cl"	34.969402
"1280928"	197.016402	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Cl"	34.969402
"23482"	361.042606	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M-2H+K"	36.948606
"460493"	523.089606	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M-2H+K"	36.948606
"839752"	198.995606	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-2H+K"	36.948606
"1564331"	198.995606	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+K-2H"	36.948606
"946754"	207.045194	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-H+HCOOH"	44.998194
"365693"	369.092201	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+HCOOH-H"	44.998201
"348853"	383.107851	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+Hac-H"	59.013851
"1497688"	221.060851	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Hac-H"	59.013851
"965227"	229.027151	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-H+NaCOOH"	66.980151
"118874"	197.016402	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+2Cl"	69.938804
"555882"	278.039902	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+2Cl"	69.938804
"1029056"	115.992902	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2Cl"	69.938804
"1245719"	240.965885	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Br"	78.918885
"1313270"	243.021872	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Cl+HCOOH"	80.974872
"1323842"	265.003829	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Cl+NaCOOH"	102.956829
"918545"	275.032586	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M-H+CF3COOH"	112.985586
"1290519"	311.009264	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Cl+CF3COOH"	148.962264
"1373417"	127.034324	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H-2H2O"	-35.012676
"1386903"	145.0443	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H-H2O"	-17.0027
"290598"	325.101276	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+H"	1.007276
"687393"	487.148276	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+H"	1.007276
"1359370"	163.054276	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H"	1.007276
"131173"	163.054276	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+2H"	2.014552
"568180"	244.077776	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+2H"	2.014552
"1040988"	82.030776	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2H"	2.014552
"208528"	109.038609333333	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+3H"	3.021828
"646628"	163.054276	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+3H"	3.021828
"1166578"	55.0229426666667	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+3H"	3.021828
"426205"	342.127823	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+NH4"	18.033823
"788292"	504.174823	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+NH4"	18.033823
"1684624"	180.080823	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+NH4"	18.033823
"331806"	171.5675495	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+H+NH4"	19.041099
"734069"	252.5910495	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+H+NH4"	19.041099
"1485701"	90.5440495	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H+NH4"	19.041099
"395634"	347.083218	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+Na"	22.989218
"756641"	509.130218	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+Na"	22.989218
"1605104"	185.036218	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Na"	22.989218
"316960"	174.045247	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+H+Na"	23.996494
"709010"	255.068747	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+H+Na"	23.996494
"1464288"	93.021747	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H+Na"	23.996494
"1055349"	62.3502566666667	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2H+Na"	25.00377
"1258847"	195.080486	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+CH3OH+H"	33.033486
"388735"	363.057158	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+K"	38.963158
"747546"	525.104158	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+K"	38.963158
"1552883"	201.010158	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+K"	38.963158
"310787"	182.032217	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+H+K"	39.970434
"704306"	263.055717	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+H+K"	39.970434
"1460315"	101.008717	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H+K"	39.970434
"241624"	366.127826	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+ACN+H"	42.033826
"1215426"	204.080826	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+ACN+H"	42.033826
"1204775"	102.544051	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+ACN+2H"	43.041102
"192543"	369.06516	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+2Na-H"	44.97116
"635020"	531.11216	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+2Na-H"	44.97116
"1140713"	207.01816	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2Na-H"	44.97116
"185098"	185.036218	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+2Na"	45.978436
"624657"	266.059718	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+2Na"	45.978436
"1125976"	104.012718	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2Na"	45.978436
"1409499"	69.6775706666667	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H+2Na"	46.985712
"1442709"	209.059746	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H+HCOOH"	47.012746
"234227"	190.06924	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+3H2O+2H"	56.04448
"1513907"	223.11179	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+IsoProp+H"	61.06479
"411767"	193.023188	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+Na+K"	61.952376
"780059"	274.046688	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+Na+K"	61.952376
"1678587"	111.999688	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Na+K"	61.952376
"261827"	388.109768	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+ACN+Na"	64.015768
"1237455"	226.062768	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+ACN+Na"	64.015768
"1723061"	226.086293	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+NH4+HCOOH"	64.039293
"1186227"	77.0048846666667	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+3Na"	68.967654
"1657211"	231.041688	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Na+HCOOH"	68.994688
"164801"	401.01304	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+2K-H"	76.91904
"606551"	563.06004	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+2K-H"	76.91904
"1093250"	238.96604	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2K-H"	76.91904
"149339"	201.010158	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"2M+2K"	77.926316
"584161"	282.033658	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"3M+2K"	77.926316
"1079247"	119.986658	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2K"	77.926316
"1112945"	240.980592	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2K+H"	78.933592
"1348724"	241.068207	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+DMSO+H"	79.021207
"1017374"	245.107376	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2ACN+H"	83.060376
"1535498"	246.101008	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+IsoProp+Na+H"	84.054008
"1000853"	123.057326	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+2ACN+2H"	84.067652
"1595355"	247.015628	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+K+HCOOH"	84.968628
"1423203"	277.047138	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+H+CF3COOH"	115.000138
"1153490"	143.570601	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+3ACN+2H"	125.094202
"1710698"	294.073685	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+NH4+CF3COOH"	132.026685
"1643065"	299.02908	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+Na+CF3COOH"	136.98208
"1583090"	315.00302	"C08464"	"1-Tridecene-357911-pentayne;Tridec-1-ene-357911-pentayne"	"C13H6"	"162.047"	"M+K+CF3COOH"	152.95602
"803615"	258.0892	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M"	0
"976420"	239.07081	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"65390"	171.052190666667	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"503974"	257.081924	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"880803"	85.0224573333333	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"4607"	257.081924	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"440881"	386.126524	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"818807"	128.037324	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"79526"	515.171124	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"519574"	773.260324	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"897008"	257.081924	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"49075"	532.197671	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"488392"	790.286871	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"865344"	274.108471	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"33976"	537.153066	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"476332"	795.242266	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"853040"	279.063866	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1625861"	279.063866	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"105673"	275.070263	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"548152"	404.114863	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"939842"	146.025663	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"281926"	551.147802	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"673006"	809.237002	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1282131"	293.058602	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"24321"	553.127006	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"461331"	811.216206	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"839863"	295.037806	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1561891"	295.037806	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"946864"	303.087394	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"365803"	561.176601	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"349688"	575.192251	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1497795"	317.103051	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"962058"	325.069351	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"118619"	293.058602	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"554899"	422.103202	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1031353"	164.014002	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1247651"	337.008085	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1314473"	339.064072	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1326503"	361.046029	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"919748"	371.074786	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1292450"	407.051464	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1373527"	223.076524	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1388836"	241.0865	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"292895"	517.185676	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"680942"	775.274876	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1359479"	259.096476	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"129823"	259.096476	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"569018"	388.141076	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1040733"	130.051876	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"207904"	173.066742666667	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"646008"	259.096476	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1164254"	87.0370093333333	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"424609"	534.212223	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"786332"	792.301423	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1684004"	276.123023	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"332282"	267.6097495	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"729807"	396.6543495	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1485812"	138.5651495	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"394040"	539.167618	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"757844"	797.256818	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1603878"	281.078418	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"315975"	270.087447	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"708392"	399.132047	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1463062"	141.042847	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1053998"	94.3643233333333	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1257863"	291.122686	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"385565"	555.141558	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"747656"	813.230758	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1552629"	297.052358	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"310168"	278.074417	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"704052"	407.119017	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1459695"	149.029817	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"247565"	558.212226	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1213349"	300.123026	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1203792"	150.565151	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"193382"	561.14956	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"634036"	819.23876	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1140823"	303.06036	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"185207"	281.078418	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"627684"	410.123018	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1126086"	152.033818	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1410703"	101.691637333333	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1444764"	305.101946	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"234337"	286.11144	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1514014"	319.15399	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"413703"	289.065388	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"779076"	418.109988	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1678335"	160.020788	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"261209"	580.194168	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1235742"	322.104968	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1724628"	322.128493	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1189253"	109.018951333333	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1656957"	327.083888	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"162359"	593.09744	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"606297"	851.18664	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1094089"	335.00824	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"147261"	297.052358	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"585728"	426.096958	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1076074"	168.007758	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1112568"	337.022792	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1350173"	337.110407	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1016391"	341.149576	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1534515"	342.143208	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1002056"	171.078426	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1595465"	343.057828	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1425499"	373.089338	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1153600"	191.591701	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1710808"	390.115885	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1643175"	395.07128	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1583200"	411.04522	"C08465"	"Wyerone"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"813568"	244.0736	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M"	0
"980540"	225.05521	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-H2O-H"	-19.01839
"68781"	161.708457333333	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M-3H"	-3.021828
"507248"	243.066324	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M-3H"	-3.021828
"887233"	80.3505906666667	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-3H"	-3.021828
"6905"	243.066324	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M-2H"	-2.014552
"446467"	365.103124	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M-2H"	-2.014552
"820987"	121.029524	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-2H"	-2.014552
"81342"	487.139924	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M-H"	-1.007276
"521631"	731.213524	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M-H"	-1.007276
"897246"	243.066324	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-H"	-1.007276
"47853"	504.166471	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M-2H+NH4"	16.019271
"492276"	748.240071	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M-2H+NH4"	16.019271
"866798"	260.092871	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-2H+NH4"	16.019271
"32628"	509.121866	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M-2H+Na"	20.974666
"478634"	753.195466	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M-2H+Na"	20.974666
"850239"	265.048266	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-2H+Na"	20.974666
"1633750"	265.048266	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Na-2H"	20.974666
"105784"	261.054663	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M-H+Cl"	33.962126
"546438"	383.091463	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M-H+Cl"	33.962126
"941899"	139.017863	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-H+Cl"	33.962126
"278511"	523.116602	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+Cl"	34.969402
"670933"	767.190202	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+Cl"	34.969402
"1283338"	279.043002	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Cl"	34.969402
"23706"	525.095806	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M-2H+K"	36.948606
"461079"	769.169406	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M-2H+K"	36.948606
"843255"	281.022206	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-2H+K"	36.948606
"1565647"	281.022206	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+K-2H"	36.948606
"945883"	289.071794	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-H+HCOOH"	44.998194
"368471"	533.145401	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+HCOOH-H"	44.998201
"349074"	547.161051	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+Hac-H"	59.013851
"1497905"	303.087451	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Hac-H"	59.013851
"971280"	311.053751	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-H+NaCOOH"	66.980151
"115450"	279.043002	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+2Cl"	69.938804
"556102"	401.079802	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+2Cl"	69.938804
"1034380"	157.006202	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2Cl"	69.938804
"1244118"	322.992485	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Br"	78.918885
"1309117"	325.048472	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Cl+HCOOH"	80.974872
"1324431"	347.030429	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Cl+NaCOOH"	102.956829
"920956"	357.059186	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M-H+CF3COOH"	112.985586
"1292563"	393.035864	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Cl+CF3COOH"	148.962264
"1368901"	209.060924	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H-2H2O"	-35.012676
"1390041"	227.0709	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H-H2O"	-17.0027
"286447"	489.154476	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+H"	1.007276
"678869"	733.228076	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+H"	1.007276
"1355221"	245.080876	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H"	1.007276
"129567"	245.080876	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+2H"	2.014552
"569493"	367.117676	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+2H"	2.014552
"1040114"	123.044076	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2H"	2.014552
"206920"	163.723009333333	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+3H"	3.021828
"645754"	245.080876	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+3H"	3.021828
"1166800"	82.3651426666667	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+3H"	3.021828
"424963"	506.181023	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+NH4"	18.033823
"787419"	750.254623	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+NH4"	18.033823
"1683020"	262.107423	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+NH4"	18.033823
"333121"	253.5941495	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+H+NH4"	19.041099
"725177"	375.6309495	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+H+NH4"	19.041099
"1479726"	131.5573495	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H+NH4"	19.041099
"392876"	511.136418	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+Na"	22.989218
"766707"	755.210018	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+Na"	22.989218
"1607150"	267.062818	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Na"	22.989218
"316090"	256.071847	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+H+Na"	23.996494
"712884"	378.108647	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+H+Na"	23.996494
"1464513"	134.035047	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H+Na"	23.996494
"1054232"	89.6924566666667	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2H+Na"	25.00377
"1257491"	277.107086	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+CH3OH+H"	33.033486
"381303"	527.110358	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+K"	38.963158
"752142"	771.183958	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+K"	38.963158
"1554199"	283.036758	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+K"	38.963158
"309186"	264.058817	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+H+K"	39.970434
"704530"	386.095617	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+H+K"	39.970434
"1459076"	142.022017	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H+K"	39.970434
"247313"	530.181026	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+ACN+H"	42.033826
"1217832"	286.107426	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+ACN+H"	42.033826
"1196977"	143.557351	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+ACN+2H"	43.041102
"192034"	533.11836	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+2Na-H"	44.97116
"630864"	777.19196	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+2Na-H"	44.97116
"1134733"	289.04476	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2Na-H"	44.97116
"176205"	267.062818	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+2Na"	45.978436
"615767"	389.099618	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+2Na"	45.978436
"1118905"	145.026018	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2Na"	45.978436
"1400969"	97.0197706666667	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H+2Na"	46.985712
"1431508"	291.086346	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H+HCOOH"	47.012746
"222418"	272.09584	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+3H2O+2H"	56.04448
"1511207"	305.13839	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+IsoProp+H"	61.06479
"411262"	275.049788	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+Na+K"	61.952376
"780283"	397.086588	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+Na+K"	61.952376
"1679906"	153.012988	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Na+K"	61.952376
"266062"	552.162968	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+ACN+Na"	64.015768
"1239134"	308.089368	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+ACN+Na"	64.015768
"1727173"	308.112893	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+NH4+HCOOH"	64.039293
"1191187"	104.347084666667	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+3Na"	68.967654
"1662539"	313.068288	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Na+HCOOH"	68.994688
"168305"	565.06624	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+2K-H"	76.91904
"610053"	809.13984	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+2K-H"	76.91904
"1094566"	320.99264	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2K-H"	76.91904
"146642"	283.036758	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"2M+2K"	77.926316
"588388"	405.073558	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"3M+2K"	77.926316
"1081287"	160.999958	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2K"	77.926316
"1109395"	323.007192	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2K+H"	78.933592
"1336908"	323.094807	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+DMSO+H"	79.021207
"1007382"	327.133976	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2ACN+H"	83.060376
"1525991"	328.127608	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+IsoProp+Na+H"	84.054008
"1001072"	164.070626	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+2ACN+2H"	84.067652
"1589741"	329.042228	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+K+HCOOH"	84.968628
"1417224"	359.073738	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+H+CF3COOH"	115.000138
"1152616"	184.583901	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+3ACN+2H"	125.094202
"1703260"	376.100285	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+NH4+CF3COOH"	132.026685
"1642191"	381.05568	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+Na+CF3COOH"	136.98208
"1583310"	397.02962	"C08466"	"Wyerone acid"	"C14H12O4"	"244.0736"	"M+K+CF3COOH"	152.95602
"803835"	622.4809	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M"	0
"978463"	603.46251	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-H2O-H"	-19.01839
"67798"	413.979990666667	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M-3H"	-3.021828
"505172"	621.473624	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M-3H"	-3.021828
"881150"	206.486357333333	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-3H"	-3.021828
"3735"	621.473624	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M-2H"	-2.014552
"443297"	932.714074	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M-2H"	-2.014552
"817815"	310.233174	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-2H"	-2.014552
"79871"	1243.954524	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M-H"	-1.007276
"518654"	1866.435424	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M-H"	-1.007276
"896748"	621.473624	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-H"	-1.007276
"49543"	1260.981071	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M-2H+NH4"	16.019271
"490199"	1883.461971	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M-2H+NH4"	16.019271
"865813"	638.500171	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-2H+NH4"	16.019271
"31591"	1265.936466	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M-2H+Na"	20.974666
"476557"	1888.417366	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M-2H+Na"	20.974666
"853265"	643.455566	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-2H+Na"	20.974666
"1631186"	643.455566	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Na-2H"	20.974666
"105894"	639.461963	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M-H+Cl"	33.962126
"546548"	950.702413	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M-H+Cl"	33.962126
"941157"	328.221513	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-H+Cl"	33.962126
"277528"	1279.931202	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+Cl"	34.969402
"667763"	1902.412102	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+Cl"	34.969402
"1283448"	657.450302	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Cl"	34.969402
"20536"	1281.910406	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M-2H+K"	36.948606
"462282"	1904.391306	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M-2H+K"	36.948606
"841177"	659.429506	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-2H+K"	36.948606
"1564665"	659.429506	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+K-2H"	36.948606
"949272"	667.479094	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-H+HCOOH"	44.998194
"368581"	1289.960001	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+HCOOH-H"	44.998201
"347725"	1303.975651	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+Hac-H"	59.013851
"1495828"	681.494751	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Hac-H"	59.013851
"965557"	689.461051	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-H+NaCOOH"	66.980151
"115560"	657.450302	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+2Cl"	69.938804
"559492"	968.690752	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+2Cl"	69.938804
"1033760"	346.209852	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2Cl"	69.938804
"1246779"	701.399785	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Br"	78.918885
"1309227"	703.455772	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Cl+HCOOH"	80.974872
"1325634"	725.437729	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Cl+NaCOOH"	102.956829
"917786"	735.466486	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M-H+CF3COOH"	112.985586
"1291579"	771.443164	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Cl+CF3COOH"	148.962264
"1371563"	587.468224	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H-2H2O"	-35.012676
"1393431"	605.4782	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H-H2O"	-17.0027
"289837"	1245.969076	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+H"	1.007276
"682259"	1868.449976	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+H"	1.007276
"1358611"	623.488176	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H"	1.007276
"127125"	623.488176	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+2H"	2.014552
"570332"	934.728626	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+2H"	2.014552
"1041318"	312.247726	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2H"	2.014552
"214322"	415.994542666667	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+3H"	3.021828
"649509"	623.488176	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+3H"	3.021828
"1165081"	208.500909333333	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+3H"	3.021828
"427263"	1262.995623	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+NH4"	18.033823
"786799"	1885.476523	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+NH4"	18.033823
"1684224"	640.514723	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+NH4"	18.033823
"332139"	632.0014495	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+H+NH4"	19.041099
"724559"	943.2418995	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+H+NH4"	19.041099
"1478014"	320.7609995	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H+NH4"	19.041099
"393123"	1267.951018	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+Na"	22.989218
"766817"	1890.431918	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+Na"	22.989218
"1610539"	645.470118	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Na"	22.989218
"315470"	634.479147	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+H+Na"	23.996494
"709714"	945.719597	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+H+Na"	23.996494
"1464260"	323.238697	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H+Na"	23.996494
"1054948"	215.828223333333	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2H+Na"	25.00377
"1257603"	655.514386	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+CH3OH+H"	33.033486
"381413"	1283.924958	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+K"	38.963158
"751524"	1906.405858	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+K"	38.963158
"1553214"	661.444058	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+K"	38.963158
"304921"	642.466117	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+H+K"	39.970434
"704274"	953.706567	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+H+K"	39.970434
"1458821"	331.225667	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H+K"	39.970434
"247423"	1286.995626	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+ACN+H"	42.033826
"1216849"	664.514726	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+ACN+H"	42.033826
"1197087"	332.761001	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+ACN+2H"	43.041102
"193602"	1289.93296	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+2Na-H"	44.97116
"631340"	1912.41386	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+2Na-H"	44.97116
"1135937"	667.45206	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2Na-H"	44.97116
"175706"	645.470118	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+2Na"	45.978436
"615877"	956.710568	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+2Na"	45.978436
"1118287"	334.229668	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2Na"	45.978436
"1401447"	223.155537333333	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H+2Na"	46.985712
"1431740"	669.493646	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H+HCOOH"	47.012746
"221800"	650.50314	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+3H2O+2H"	56.04448
"1510225"	683.54569	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+IsoProp+H"	61.06479
"409302"	653.457088	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+Na+K"	61.952376
"777113"	964.697538	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+Na+K"	61.952376
"1678187"	342.216638	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Na+K"	61.952376
"265080"	1308.977568	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+ACN+Na"	64.015768
"1239245"	686.496668	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+ACN+Na"	64.015768
"1726308"	686.520193	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+NH4+HCOOH"	64.039293
"1189110"	230.482851333333	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+3Na"	68.967654
"1660094"	691.475588	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Na+HCOOH"	68.994688
"168050"	1321.88084	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+2K-H"	76.91904
"605423"	1944.36174	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+2K-H"	76.91904
"1093947"	699.39994	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2K-H"	76.91904
"146752"	661.444058	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"2M+2K"	77.926316
"586312"	972.684508	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"3M+2K"	77.926316
"1082490"	350.203608	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2K"	77.926316
"1108412"	701.414492	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2K+H"	78.933592
"1337505"	701.502107	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+DMSO+H"	79.021207
"1007979"	705.541276	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2ACN+H"	83.060376
"1525129"	706.534908	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+IsoProp+Na+H"	84.054008
"1001182"	353.274276	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+2ACN+2H"	84.067652
"1589123"	707.449528	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+K+HCOOH"	84.968628
"1416970"	737.481038	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+H+CF3COOH"	115.000138
"1153819"	373.787551	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+3ACN+2H"	125.094202
"1704463"	754.507585	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+NH4+CF3COOH"	132.026685
"1639021"	759.46298	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+Na+CF3COOH"	136.98208
"1583420"	775.43692	"C08467"	"Asimicin;Bullatacin"	"C37H66O7"	"622.4809"	"M+K+CF3COOH"	152.95602
"803945"	323.1369	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M"	0
"980760"	304.11851	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-H2O-H"	-19.01839
"66815"	214.417324	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M-3H"	-3.021828
"507469"	322.129624	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M-3H"	-3.021828
"881260"	106.705024	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-3H"	-3.021828
"3845"	322.129624	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M-2H"	-2.014552
"444500"	483.698074	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M-2H"	-2.014552
"817475"	160.561174	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-2H"	-2.014552
"79615"	645.266524	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M-H"	-1.007276
"519417"	968.403424	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M-H"	-1.007276
"896978"	322.129624	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-H"	-1.007276
"48194"	662.293071	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M-2H+NH4"	16.019271
"488484"	985.429971	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M-2H+NH4"	16.019271
"864823"	339.156171	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-2H+NH4"	16.019271
"32120"	667.248466	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M-2H+Na"	20.974666
"472656"	990.385366	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M-2H+Na"	20.974666
"851184"	344.111566	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-2H+Na"	20.974666
"1621088"	344.111566	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Na-2H"	20.974666
"106733"	340.117963	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M-H+Cl"	33.962126
"545565"	501.686413	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M-H+Cl"	33.962126
"937986"	178.549513	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-H+Cl"	33.962126
"276545"	681.243202	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+Cl"	34.969402
"667873"	1004.380102	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+Cl"	34.969402
"1283558"	358.106302	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Cl"	34.969402
"19553"	683.222406	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M-2H+K"	36.948606
"459113"	1006.359306	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M-2H+K"	36.948606
"841287"	360.085506	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-2H+K"	36.948606
"1563681"	360.085506	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+K-2H"	36.948606
"948289"	368.135094	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-H+HCOOH"	44.998194
"367598"	691.272001	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+HCOOH-H"	44.998201
"347835"	705.287651	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+Hac-H"	59.013851
"1494843"	382.150751	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Hac-H"	59.013851
"963480"	390.117051	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-H+NaCOOH"	66.980151
"112388"	358.106302	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+2Cl"	69.938804
"558145"	519.674752	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+2Cl"	69.938804
"1028403"	196.537852	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2Cl"	69.938804
"1245796"	402.055785	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Br"	78.918885
"1308244"	404.111772	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Cl+HCOOH"	80.974872
"1325744"	426.093729	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Cl+NaCOOH"	102.956829
"917896"	436.122486	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M-H+CF3COOH"	112.985586
"1292418"	472.099164	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Cl+CF3COOH"	148.962264
"1371673"	288.124224	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H-2H2O"	-35.012676
"1393541"	306.1342	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H-H2O"	-17.0027
"288854"	647.281076	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+H"	1.007276
"682369"	970.417976	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+H"	1.007276
"1353617"	324.144176	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H"	1.007276
"126627"	324.144176	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+2H"	2.014552
"568984"	485.712626	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+2H"	2.014552
"1040334"	162.575726	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2H"	2.014552
"214432"	216.431876	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+3H"	3.021828
"647795"	324.144176	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+3H"	3.021828
"1164220"	108.719576	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+3H"	3.021828
"427009"	664.307623	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+NH4"	18.033823
"787637"	987.444523	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+NH4"	18.033823
"1683240"	341.170723	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+NH4"	18.033823
"332976"	332.6574495	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+H+NH4"	19.041099
"724668"	494.2258995	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+H+NH4"	19.041099
"1477556"	171.0889995	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H+NH4"	19.041099
"393113"	669.263018	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+Na"	22.989218
"761459"	992.399918	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+Na"	22.989218
"1604087"	346.126118	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Na"	22.989218
"314319"	335.135147	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+H+Na"	23.996494
"709455"	496.703597	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+H+Na"	23.996494
"1463998"	173.566697	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H+Na"	23.996494
"1055421"	116.04689	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2H+Na"	25.00377
"1258928"	356.170386	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+CH3OH+H"	33.033486
"379335"	685.236958	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+K"	38.963158
"750175"	1008.373858	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+K"	38.963158
"1550042"	362.100058	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+K"	38.963158
"306124"	343.122117	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+H+K"	39.970434
"705479"	504.690567	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+H+K"	39.970434
"1457840"	181.553667	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H+K"	39.970434
"248626"	688.307626	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+ACN+H"	42.033826
"1219145"	365.170726	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+ACN+H"	42.033826
"1196469"	183.089001	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+ACN+2H"	43.041102
"192619"	691.24496	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+2Na-H"	44.97116
"632177"	1014.38186	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+2Na-H"	44.97116
"1134590"	368.10806	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2Na-H"	44.97116
"177154"	346.126118	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+2Na"	45.978436
"615621"	507.694568	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+2Na"	45.978436
"1119125"	184.557668	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2Na"	45.978436
"1402650"	123.374204	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H+2Na"	46.985712
"1432578"	370.149646	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H+HCOOH"	47.012746
"222637"	351.15914	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+3H2O+2H"	56.04448
"1509968"	384.20169	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+IsoProp+H"	61.06479
"410019"	354.113088	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+Na+K"	61.952376
"778316"	515.681538	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+Na+K"	61.952376
"1677933"	192.544638	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Na+K"	61.952376
"264824"	710.289568	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+ACN+Na"	64.015768
"1238627"	387.152668	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+ACN+Na"	64.015768
"1725693"	387.176193	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+NH4+HCOOH"	64.039293
"1190313"	130.701518	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+3Na"	68.967654
"1662391"	392.131588	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Na+HCOOH"	68.994688
"168160"	723.19284	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+2K-H"	76.91904
"605533"	1046.32974	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+2K-H"	76.91904
"1095879"	400.05594	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2K-H"	76.91904
"149048"	362.100058	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"2M+2K"	77.926316
"587515"	523.668508	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"3M+2K"	77.926316
"1082600"	200.531608	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2K"	77.926316
"1108522"	402.070492	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2K+H"	78.933592
"1338344"	402.158107	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+DMSO+H"	79.021207
"1009061"	406.197276	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2ACN+H"	83.060376
"1525239"	407.190908	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+IsoProp+Na+H"	84.054008
"1003478"	203.602276	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+2ACN+2H"	84.067652
"1589233"	408.105528	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+K+HCOOH"	84.968628
"1418173"	438.137038	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+H+CF3COOH"	115.000138
"1156116"	224.115551	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+3ACN+2H"	125.094202
"1704573"	455.163585	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+NH4+CF3COOH"	132.026685
"1639131"	460.11898	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+Na+CF3COOH"	136.98208
"1583530"	476.09292	"C08468"	"Acremoauxin A;2-(3-Indolyl)propanoylmannitol"	"C16H21NO6"	"323.1369"	"M+K+CF3COOH"	152.95602
"804055"	341.0536	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M"	0
"980870"	322.03521	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-H2O-H"	-19.01839
"66925"	226.361790666667	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M-3H"	-3.021828
"510859"	340.046324	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M-3H"	-3.021828
"881734"	112.677257333333	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-3H"	-3.021828
"2861"	340.046324	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M-2H"	-2.014552
"443517"	510.573124	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M-2H"	-2.014552
"819130"	169.519524	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-2H"	-2.014552
"81672"	681.099924	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M-H"	-1.007276
"521232"	1022.153524	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M-H"	-1.007276
"897089"	340.046324	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-H"	-1.007276
"49764"	698.126471	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M-2H+NH4"	16.019271
"489326"	1039.180071	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M-2H+NH4"	16.019271
"867128"	357.072871	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-2H+NH4"	16.019271
"33204"	703.081866	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M-2H+Na"	20.974666
"471915"	1044.135466	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M-2H+Na"	20.974666
"852389"	362.028266	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-2H+Na"	20.974666
"1626302"	362.028266	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Na-2H"	20.974666
"105020"	358.034663	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M-H+Cl"	33.962126
"545675"	528.561463	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M-H+Cl"	33.962126
"940771"	187.507863	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-H+Cl"	33.962126
"276655"	717.076602	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+Cl"	34.969402
"667983"	1058.130202	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+Cl"	34.969402
"1283668"	376.023002	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Cl"	34.969402
"21851"	719.055806	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M-2H+K"	36.948606
"460318"	1060.109406	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M-2H+K"	36.948606
"837023"	378.002206	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-2H+K"	36.948606
"1565980"	378.002206	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+K-2H"	36.948606
"948399"	386.051794	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-H+HCOOH"	44.998194
"367708"	727.105401	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+HCOOH-H"	44.998201
"348310"	741.121051	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+Hac-H"	59.013851
"1494955"	400.067451	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Hac-H"	59.013851
"965777"	408.033751	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-H+NaCOOH"	66.980151
"116873"	376.023002	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+2Cl"	69.938804
"557526"	546.549802	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+2Cl"	69.938804
"1029607"	205.496202	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2Cl"	69.938804
"1244811"	419.972485	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Br"	78.918885
"1308355"	422.028472	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Cl+HCOOH"	80.974872
"1325855"	444.010429	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Cl+NaCOOH"	102.956829
"916914"	454.039186	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M-H+CF3COOH"	112.985586
"1292530"	490.015864	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Cl+CF3COOH"	148.962264
"1369598"	306.040924	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H-2H2O"	-35.012676
"1396933"	324.0509	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H-H2O"	-17.0027
"290058"	683.114476	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+H"	1.007276
"682479"	1024.168076	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+H"	1.007276
"1354457"	342.060876	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H"	1.007276
"127102"	342.060876	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+2H"	2.014552
"567999"	512.587676	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+2H"	2.014552
"1039470"	171.534076	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2H"	2.014552
"207614"	228.376342666667	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+3H"	3.021828
"646080"	342.060876	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+3H"	3.021828
"1165666"	114.691809333333	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+3H"	3.021828
"429305"	700.141023	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+NH4"	18.033823
"788478"	1041.194623	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+NH4"	18.033823
"1686267"	359.087423	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+NH4"	18.033823
"334545"	350.5741495	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+H+NH4"	19.041099
"728060"	521.1009495	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+H+NH4"	19.041099
"1481881"	180.0473495	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H+NH4"	19.041099
"394363"	705.096418	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+Na"	22.989218
"759382"	1046.150018	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+Na"	22.989218
"1604197"	364.042818	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Na"	22.989218
"315689"	353.051847	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+H+Na"	23.996494
"709929"	523.578647	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+H+Na"	23.996494
"1464111"	182.525047	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H+Na"	23.996494
"1055169"	122.019123333333	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2H+Na"	25.00377
"1259038"	374.087086	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+CH3OH+H"	33.033486
"378472"	721.070358	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+K"	38.963158
"750650"	1062.123958	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+K"	38.963158
"1546872"	380.016758	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+K"	38.963158
"305141"	361.038817	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+H+K"	39.970434
"704131"	531.565617	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+H+K"	39.970434
"1453574"	190.512017	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H+K"	39.970434
"242174"	724.141026	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+ACN+H"	42.033826
"1218161"	383.087426	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+ACN+H"	42.033826
"1198766"	192.047351	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+ACN+2H"	43.041102
"191635"	727.07836	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+2Na-H"	44.97116
"632289"	1068.13196	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+2Na-H"	44.97116
"1135065"	386.02476	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2Na-H"	44.97116
"177264"	364.042818	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+2Na"	45.978436
"617555"	534.569618	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+2Na"	45.978436
"1119236"	193.516018	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2Na"	45.978436
"1405674"	129.346437333333	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H+2Na"	46.985712
"1434874"	388.066346	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H+HCOOH"	47.012746
"223840"	369.07584	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+3H2O+2H"	56.04448
"1511173"	402.11839	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+IsoProp+H"	61.06479
"410371"	372.029788	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+Na+K"	61.952376
"780613"	542.556588	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+Na+K"	61.952376
"1678043"	201.502988	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Na+K"	61.952376
"263106"	746.122968	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+ACN+Na"	64.015768
"1237639"	405.069368	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+ACN+Na"	64.015768
"1725918"	405.092893	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+NH4+HCOOH"	64.039293
"1191395"	136.673751333333	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+3Na"	68.967654
"1660315"	410.048288	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Na+HCOOH"	68.994688
"167176"	759.02624	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+2K-H"	76.91904
"603456"	1100.07984	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+2K-H"	76.91904
"1096717"	417.97264	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2K-H"	76.91904
"148065"	380.016758	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"2M+2K"	77.926316
"587625"	550.543558	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"3M+2K"	77.926316
"1081981"	209.489958	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2K"	77.926316
"1105350"	419.987192	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2K+H"	78.933592
"1338454"	420.074807	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+DMSO+H"	79.021207
"1010264"	424.113976	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2ACN+H"	83.060376
"1524309"	425.107608	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+IsoProp+Na+H"	84.054008
"1003588"	212.560626	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+2ACN+2H"	84.067652
"1590800"	426.022228	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+K+HCOOH"	84.968628
"1419376"	456.053738	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+H+CF3COOH"	115.000138
"1154039"	233.073901	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+3ACN+2H"	125.094202
"1701402"	473.080285	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+NH4+CF3COOH"	132.026685
"1639241"	478.03568	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+Na+CF3COOH"	136.98208
"1583640"	494.00962	"C08469"	"Aristolochic acid;Aristolochic acid I"	"C17H11NO7"	"341.0536"	"M+K+CF3COOH"	152.95602
"810726"	622.4809	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M"	0
"983168"	603.46251	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-H2O-H"	-19.01839
"70315"	413.979990666667	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M-3H"	-3.021828
"505502"	621.473624	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M-3H"	-3.021828
"882210"	206.486357333333	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-3H"	-3.021828
"9532"	621.473624	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M-2H"	-2.014552
"446907"	932.714074	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M-2H"	-2.014552
"822521"	310.233174	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-2H"	-2.014552
"83606"	1243.954524	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M-H"	-1.007276
"525352"	1866.435424	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M-H"	-1.007276
"897685"	621.473624	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-H"	-1.007276
"52062"	1260.981071	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M-2H+NH4"	16.019271
"489070"	1883.461971	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M-2H+NH4"	16.019271
"865534"	638.500171	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-2H+NH4"	16.019271
"32949"	1265.936466	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M-2H+Na"	20.974666
"472510"	1888.417366	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M-2H+Na"	20.974666
"851406"	643.455566	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-2H+Na"	20.974666
"1627506"	643.455566	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Na-2H"	20.974666
"106223"	639.461963	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M-H+Cl"	33.962126
"545785"	950.702413	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M-H+Cl"	33.962126
"936018"	328.221513	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-H+Cl"	33.962126
"274579"	1279.931202	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+Cl"	34.969402
"665907"	1902.412102	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+Cl"	34.969402
"1279404"	657.450302	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Cl"	34.969402
"21961"	1281.910406	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M-2H+K"	36.948606
"456541"	1904.391306	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M-2H+K"	36.948606
"833365"	659.429506	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-2H+K"	36.948606
"1566090"	659.429506	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+K-2H"	36.948606
"945229"	667.479094	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-H+HCOOH"	44.998194
"367818"	1289.960001	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+HCOOH-H"	44.998201
"346068"	1303.975651	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+Hac-H"	59.013851
"1493077"	681.494751	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Hac-H"	59.013851
"960420"	689.461051	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-H+NaCOOH"	66.980151
"116983"	657.450302	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+2Cl"	69.938804
"554356"	968.690752	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+2Cl"	69.938804
"1026437"	346.209852	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2Cl"	69.938804
"1241431"	701.399785	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Br"	78.918885
"1304941"	703.455772	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Cl+HCOOH"	80.974872
"1323778"	725.437729	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Cl+NaCOOH"	102.956829
"915930"	735.466486	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M-H+CF3COOH"	112.985586
"1291546"	771.443164	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Cl+CF3COOH"	148.962264
"1369708"	587.468224	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H-2H2O"	-35.012676
"1393763"	605.4782	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H-H2O"	-17.0027
"287981"	1245.969076	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+H"	1.007276
"683683"	1868.449976	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+H"	1.007276
"1352744"	623.488176	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H"	1.007276
"127092"	623.488176	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+2H"	2.014552
"567016"	934.728626	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+2H"	2.014552
"1039094"	312.247726	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2H"	2.014552
"206630"	415.994542666667	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+3H"	3.021828
"644733"	623.488176	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+3H"	3.021828
"1165171"	208.500909333333	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+3H"	3.021828
"426136"	1262.995623	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+NH4"	18.033823
"787495"	1885.476523	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+NH4"	18.033823
"1684191"	640.514723	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+NH4"	18.033823
"333563"	632.0014495	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+H+NH4"	19.041099
"727077"	943.2418995	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+H+NH4"	19.041099
"1480168"	320.7609995	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H+NH4"	19.041099
"394108"	1267.951018	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+Na"	22.989218
"758399"	1890.431918	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+Na"	22.989218
"1604307"	645.470118	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Na"	22.989218
"316526"	634.479147	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+H+Na"	23.996494
"709313"	945.719597	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+H+Na"	23.996494
"1463127"	323.238697	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H+Na"	23.996494
"1055644"	215.828223333333	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2H+Na"	25.00377
"1258661"	655.514386	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+CH3OH+H"	33.033486
"380647"	1283.924958	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+K"	38.963158
"752219"	1906.405858	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+K"	38.963158
"1546982"	661.444058	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+K"	38.963158
"309260"	642.466117	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+H+K"	39.970434
"703877"	953.706567	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+H+K"	39.970434
"1453684"	331.225667	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H+K"	39.970434
"243377"	1286.995626	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+ACN+H"	42.033826
"1219364"	664.514726	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+ACN+H"	42.033826
"1198875"	332.761001	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+ACN+2H"	43.041102
"192110"	1289.93296	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+2Na-H"	44.97116
"632763"	1912.41386	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+2Na-H"	44.97116
"1136997"	667.45206	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2Na-H"	44.97116
"178102"	645.470118	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+2Na"	45.978436
"617299"	956.710568	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+2Na"	45.978436
"1120440"	334.229668	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2Na"	45.978436
"1405785"	223.155537333333	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H+2Na"	46.985712
"1433528"	669.493646	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H+HCOOH"	47.012746
"224314"	650.50314	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+3H2O+2H"	56.04448
"1512376"	683.54569	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+IsoProp+H"	61.06479
"410968"	653.457088	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+Na+K"	61.952376
"778534"	964.697538	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+Na+K"	61.952376
"1677057"	342.216638	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Na+K"	61.952376
"262485"	1308.977568	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+ACN+Na"	64.015768
"1238475"	686.496668	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+ACN+Na"	64.015768
"1726633"	686.520193	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+NH4+HCOOH"	64.039293
"1186157"	230.482851333333	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+3Na"	68.967654
"1659332"	691.475588	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Na+HCOOH"	68.994688
"160725"	1321.88084	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+2K-H"	76.91904
"603564"	1944.36174	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+2K-H"	76.91904
"1092452"	699.39994	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2K-H"	76.91904
"144893"	661.444058	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"2M+2K"	77.926316
"582266"	972.684508	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"3M+2K"	77.926316
"1080997"	350.203608	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2K"	77.926316
"1102179"	701.414492	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2K+H"	78.933592
"1338564"	701.502107	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+DMSO+H"	79.021207
"1005994"	705.541276	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2ACN+H"	83.060376
"1524726"	706.534908	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+IsoProp+Na+H"	84.054008
"994950"	353.274276	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+2ACN+2H"	84.067652
"1590179"	707.449528	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+K+HCOOH"	84.968628
"1416205"	737.481038	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+H+CF3COOH"	115.000138
"1148680"	373.787551	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+3ACN+2H"	125.094202
"1697378"	754.507585	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+NH4+CF3COOH"	132.026685
"1634486"	759.46298	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+Na+CF3COOH"	136.98208
"1583750"	775.43692	"C08470"	"Bullatacinone"	"C37H66O7"	"622.4809"	"M+K+CF3COOH"	152.95602
"810836"	156.115	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M"	0
"986558"	137.09661	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-H2O-H"	-19.01839
"70425"	103.069390666667	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M-3H"	-3.021828
"503789"	155.107724	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M-3H"	-3.021828
"888882"	51.0310573333333	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-3H"	-3.021828
"9643"	155.107724	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M-2H"	-2.014552
"442644"	233.165224	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M-2H"	-2.014552
"819352"	77.050224	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-2H"	-2.014552
"82623"	311.222724	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M-H"	-1.007276
"523276"	467.337724	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M-H"	-1.007276
"898890"	155.107724	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-H"	-1.007276
"49984"	328.249271	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M-2H+NH4"	16.019271
"491732"	484.364271	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M-2H+NH4"	16.019271
"865765"	172.134271	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-2H+NH4"	16.019271
"33182"	333.204666	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M-2H+Na"	20.974666
"472738"	489.319666	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M-2H+Na"	20.974666
"851515"	177.089666	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-2H+Na"	20.974666
"1627616"	177.089666	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Na-2H"	20.974666
"104147"	173.096063	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M-H+Cl"	33.962126
"545895"	251.153563	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M-H+Cl"	33.962126
"936128"	95.038563	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-H+Cl"	33.962126
"275782"	347.199402	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+Cl"	34.969402
"667110"	503.314402	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+Cl"	34.969402
"1279514"	191.084402	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Cl"	34.969402
"24258"	349.178606	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M-2H+K"	36.948606
"456651"	505.293606	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M-2H+K"	36.948606
"834209"	193.063606	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-2H+K"	36.948606
"1559640"	193.063606	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+K-2H"	36.948606
"943190"	201.113194	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-H+HCOOH"	44.998194
"363555"	357.228201	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+HCOOH-H"	44.998201
"346700"	371.243851	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+Hac-H"	59.013851
"1493709"	215.128851	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Hac-H"	59.013851
"959553"	223.095151	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-H+NaCOOH"	66.980151
"118184"	191.084402	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+2Cl"	69.938804
"550691"	269.141902	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+2Cl"	69.938804
"1022536"	113.026902	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2Cl"	69.938804
"1241625"	235.033885	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Br"	78.918885
"1305411"	237.089872	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Cl+HCOOH"	80.974872
"1323888"	259.071829	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Cl+NaCOOH"	102.956829
"916040"	269.100586	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M-H+CF3COOH"	112.985586
"1292749"	305.077264	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Cl+CF3COOH"	148.962264
"1370182"	121.102324	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H-2H2O"	-35.012676
"1391687"	139.1123	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H-H2O"	-17.0027
"289184"	313.237276	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+H"	1.007276
"684886"	469.352276	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+H"	1.007276
"1353218"	157.122276	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H"	1.007276
"127931"	157.122276	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+2H"	2.014552
"566760"	235.179776	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+2H"	2.014552
"1038111"	79.064776	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2H"	2.014552
"206011"	105.083942666667	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+3H"	3.021828
"644962"	157.122276	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+3H"	3.021828
"1164428"	53.0456093333333	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+3H"	3.021828
"427703"	330.263823	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+NH4"	18.033823
"789063"	486.378823	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+NH4"	18.033823
"1684665"	174.148823	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+NH4"	18.033823
"334036"	165.6355495	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+H+NH4"	19.041099
"730467"	243.6930495	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+H+NH4"	19.041099
"1482101"	87.5780495	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H+NH4"	19.041099
"396040"	335.219218	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+Na"	22.989218
"758509"	491.334218	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+Na"	22.989218
"1605510"	179.104218	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Na"	22.989218
"316641"	168.113247	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+H+Na"	23.996494
"709062"	246.170747	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+H+Na"	23.996494
"1462880"	90.055747	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H+Na"	23.996494
"1055390"	60.3729233333333	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2H+Na"	25.00377
"1257106"	189.148486	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+CH3OH+H"	33.033486
"381850"	351.193158	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+K"	38.963158
"752693"	507.308158	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+K"	38.963158
"1547092"	195.078158	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+K"	38.963158
"309734"	176.100217	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+H+K"	39.970434
"705807"	254.157717	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+H+K"	39.970434
"1451607"	98.042717	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H+K"	39.970434
"245674"	354.263826	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+ACN+H"	42.033826
"1222390"	198.148826	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+ACN+H"	42.033826
"1198984"	99.578051	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+ACN+2H"	43.041102
"194042"	357.20116	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+2Na-H"	44.97116
"632509"	513.31616	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+2Na-H"	44.97116
"1138202"	201.08616	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2Na-H"	44.97116
"179305"	179.104218	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+2Na"	45.978436
"619961"	257.161718	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+2Na"	45.978436
"1122372"	101.046718	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2Na"	45.978436
"1405895"	67.7002373333333	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H+2Na"	46.985712
"1435098"	203.127746	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H+HCOOH"	47.012746
"223334"	184.13724	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+3H2O+2H"	56.04448
"1511393"	217.17979	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+IsoProp+H"	61.06479
"411444"	187.091188	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+Na+K"	61.952376
"777551"	265.148688	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+Na+K"	61.952376
"1671698"	109.033688	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Na+K"	61.952376
"263687"	376.245768	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+ACN+Na"	64.015768
"1238220"	220.130768	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+ACN+Na"	64.015768
"1720905"	220.154293	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+NH4+HCOOH"	64.039293
"1187360"	75.0275513333333	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+3Na"	68.967654
"1659442"	225.109688	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Na+HCOOH"	68.994688
"161928"	389.14904	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+2K-H"	76.91904
"603674"	545.26404	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+2K-H"	76.91904
"1089282"	233.03404	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2K-H"	76.91904
"147190"	195.078158	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"2M+2K"	77.926316
"581494"	273.135658	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"3M+2K"	77.926316
"1080014"	117.020658	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2K"	77.926316
"1101560"	235.048592	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2K+H"	78.933592
"1338674"	235.136207	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+DMSO+H"	79.021207
"1006594"	239.175376	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2ACN+H"	83.060376
"1524599"	240.169008	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+IsoProp+Na+H"	84.054008
"998340"	120.091326	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+2ACN+2H"	84.067652
"1591749"	241.083628	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+K+HCOOH"	84.968628
"1419596"	271.115138	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+H+CF3COOH"	115.000138
"1147698"	140.604601	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+3ACN+2H"	125.094202
"1701623"	288.141685	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+NH4+CF3COOH"	132.026685
"1636180"	293.09708	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+Na+CF3COOH"	136.98208
"1583860"	309.07102	"C08471"	"Chalcogran"	"C9H16O2"	"156.115"	"M+K+CF3COOH"	152.95602
"807665"	299.0794	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M"	0
"981200"	280.06101	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-H2O-H"	-19.01839
"73815"	198.378990666667	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M-3H"	-3.021828
"505355"	298.072124	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M-3H"	-3.021828
"888992"	98.6858573333333	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-3H"	-3.021828
"6473"	298.072124	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M-2H"	-2.014552
"447128"	447.611824	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M-2H"	-2.014552
"820190"	148.532424	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-2H"	-2.014552
"82366"	597.151524	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M-H"	-1.007276
"525573"	896.230924	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M-H"	-1.007276
"901187"	298.072124	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-H"	-1.007276
"50094"	614.178071	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M-2H+NH4"	16.019271
"491842"	913.257471	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M-2H+NH4"	16.019271
"868550"	315.098671	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-2H+NH4"	16.019271
"34264"	619.133466	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M-2H+Na"	20.974666
"473094"	918.212866	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M-2H+Na"	20.974666
"850532"	320.054066	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-2H+Na"	20.974666
"1627726"	320.054066	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Na-2H"	20.974666
"109857"	316.060463	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M-H+Cl"	33.962126
"548192"	465.600163	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M-H+Cl"	33.962126
"940612"	166.520763	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-H+Cl"	33.962126
"280267"	633.128202	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+Cl"	34.969402
"668314"	932.207602	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+Cl"	34.969402
"1283998"	334.048802	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Cl"	34.969402
"23272"	635.107406	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M-2H+K"	36.948606
"462836"	934.186806	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M-2H+K"	36.948606
"836263"	336.028006	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-2H+K"	36.948606
"1566310"	336.028006	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+K-2H"	36.948606
"950916"	344.077594	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-H+HCOOH"	44.998194
"364029"	643.157001	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+HCOOH-H"	44.998201
"346452"	657.172651	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+Hac-H"	59.013851
"1493096"	358.093251	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Hac-H"	59.013851
"959666"	366.059551	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-H+NaCOOH"	66.980151
"116106"	334.048802	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+2Cl"	69.938804
"553482"	483.588502	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+2Cl"	69.938804
"1024469"	184.509102	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2Cl"	69.938804
"1241616"	377.998285	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Br"	78.918885
"1304796"	380.054272	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Cl+HCOOH"	80.974872
"1327278"	402.036229	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Cl+NaCOOH"	102.956829
"918337"	412.064986	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M-H+CF3COOH"	112.985586
"1292860"	448.041664	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Cl+CF3COOH"	148.962264
"1372115"	264.066724	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H-2H2O"	-35.012676
"1392890"	282.0767	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H-H2O"	-17.0027
"289294"	599.166076	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+H"	1.007276
"683903"	898.245476	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+H"	1.007276
"1355151"	300.086676	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H"	1.007276
"127312"	300.086676	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+2H"	2.014552
"567964"	449.626376	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+2H"	2.014552
"1040412"	150.546976	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2H"	2.014552
"208307"	200.393542666667	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+3H"	3.021828
"646411"	300.086676	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+3H"	3.021828
"1165270"	100.700409333333	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+3H"	3.021828
"426720"	616.192623	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+NH4"	18.033823
"787717"	915.272023	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+NH4"	18.033823
"1683317"	317.113223	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+NH4"	18.033823
"333783"	308.5999495	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+H+NH4"	19.041099
"728392"	458.1396495	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+H+NH4"	19.041099
"1481119"	159.0602495	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H+NH4"	19.041099
"396150"	621.148018	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+Na"	22.989218
"762992"	920.227418	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+Na"	22.989218
"1608901"	322.068618	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Na"	22.989218
"322218"	311.077647	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+H+Na"	23.996494
"712452"	460.617347	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+H+Na"	23.996494
"1462503"	161.537947	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H+Na"	23.996494
"1055134"	108.027723333333	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2H+Na"	25.00377
"1260101"	332.112886	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+CH3OH+H"	33.033486
"383054"	637.121958	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+K"	38.963158
"754025"	936.201358	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+K"	38.963158
"1553762"	338.042558	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+K"	38.963158
"313814"	319.064617	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+H+K"	39.970434
"705552"	468.604317	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+H+K"	39.970434
"1456089"	169.524917	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H+K"	39.970434
"247969"	640.192626	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+ACN+H"	42.033826
"1221407"	341.113226	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+ACN+H"	42.033826
"1204196"	171.060251	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+ACN+2H"	43.041102
"195247"	643.12996	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+2Na-H"	44.97116
"634807"	942.20936	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+2Na-H"	44.97116
"1138314"	344.05056	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2Na-H"	44.97116
"180874"	322.068618	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+2Na"	45.978436
"620800"	471.608318	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+2Na"	45.978436
"1125763"	172.528918	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2Na"	45.978436
"1407099"	115.355037333333	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H+2Na"	46.985712
"1439218"	346.092146	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H+HCOOH"	47.012746
"223808"	327.10164	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+3H2O+2H"	56.04448
"1511868"	360.14419	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+IsoProp+H"	61.06479
"410097"	330.055588	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+Na+K"	61.952376
"777661"	479.595288	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+Na+K"	61.952376
"1676181"	180.515888	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Na+K"	61.952376
"262704"	662.174568	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+ACN+Na"	64.015768
"1239423"	363.095168	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+ACN+Na"	64.015768
"1723202"	363.118693	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+NH4+HCOOH"	64.039293
"1193749"	122.682351333333	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+3Na"	68.967654
"1659551"	368.074088	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Na+HCOOH"	68.994688
"167504"	675.07784	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+2K-H"	76.91904
"612417"	974.15724	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+2K-H"	76.91904
"1093766"	375.99844	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2K-H"	76.91904
"147300"	338.042558	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"2M+2K"	77.926316
"585767"	487.582258	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"3M+2K"	77.926316
"1080124"	188.502858	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2K"	77.926316
"1101670"	378.012992	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2K+H"	78.933592
"1344251"	378.100607	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+DMSO+H"	79.021207
"1010959"	382.139776	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2ACN+H"	83.060376
"1525922"	383.133408	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+IsoProp+Na+H"	84.054008
"995170"	191.573526	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+2ACN+2H"	84.067652
"1591859"	384.048028	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+K+HCOOH"	84.968628
"1418613"	414.079538	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+H+CF3COOH"	115.000138
"1148901"	212.086801	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+3ACN+2H"	125.094202
"1698453"	431.106085	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+NH4+CF3COOH"	132.026685
"1634465"	436.06148	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+Na+CF3COOH"	136.98208
"1583970"	452.03542	"C08472"	"Avenanthramide A"	"C16H13NO5"	"299.0794"	"M+K+CF3COOH"	152.95602
"804495"	382.086	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M"	0
"981310"	363.06761	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H2O-H"	-19.01839
"70645"	253.716724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-3H"	-3.021828
"503645"	381.078724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-3H"	-3.021828
"889102"	126.354724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-3H"	-3.021828
"6583"	381.078724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H"	-2.014552
"441771"	572.121724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H"	-2.014552
"818479"	190.035724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H"	-2.014552
"81748"	763.164724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-H"	-1.007276
"528599"	1145.250724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-H"	-1.007276
"902391"	381.078724	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H"	-1.007276
"50204"	780.191271	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H+NH4"	16.019271
"490859"	1162.277271	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H+NH4"	16.019271
"867566"	398.105271	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H+NH4"	16.019271
"34374"	785.146666	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H+Na"	20.974666
"472840"	1167.232666	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H+Na"	20.974666
"850642"	403.060666	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H+Na"	20.974666
"1621270"	403.060666	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na-2H"	20.974666
"109761"	399.067063	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-H+Cl"	33.962126
"547210"	590.110063	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-H+Cl"	33.962126
"939628"	208.024063	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+Cl"	33.962126
"274906"	799.141402	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Cl"	34.969402
"666236"	1181.227402	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+Cl"	34.969402
"1281922"	417.055402	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl"	34.969402
"21196"	801.120606	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H+K"	36.948606
"462946"	1183.206606	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H+K"	36.948606
"835280"	419.034606	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H+K"	36.948606
"1566420"	419.034606	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K-2H"	36.948606
"951026"	427.084194	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+HCOOH"	44.998194
"363775"	809.170201	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+HCOOH-H"	44.998201
"345995"	823.185851	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Hac-H"	59.013851
"1495394"	441.099851	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Hac-H"	59.013851
"961842"	449.066151	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+NaCOOH"	66.980151
"116216"	417.055402	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2Cl"	69.938804
"550798"	608.098402	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2Cl"	69.938804
"1023486"	226.012402	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2Cl"	69.938804
"1241441"	461.004885	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Br"	78.918885
"1304421"	463.060872	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl+HCOOH"	80.974872
"1326295"	485.042829	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl+NaCOOH"	102.956829
"917354"	495.071586	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+CF3COOH"	112.985586
"1292970"	531.048264	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl+CF3COOH"	148.962264
"1372225"	347.073324	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H-2H2O"	-35.012676
"1391907"	365.0833	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H-H2O"	-17.0027
"289404"	765.179276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H"	1.007276
"681826"	1147.265276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H"	1.007276
"1353803"	383.093276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H"	1.007276
"127422"	383.093276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2H"	2.014552
"567100"	574.136276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2H"	2.014552
"1038089"	192.050276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2H"	2.014552
"206596"	255.731276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+3H"	3.021828
"645183"	383.093276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+3H"	3.021828
"1163192"	128.369276	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+3H"	3.021828
"424763"	782.205823	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+NH4"	18.033823
"787098"	1164.291823	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+NH4"	18.033823
"1682696"	400.119823	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+NH4"	18.033823
"333893"	391.6065495	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H+NH4"	19.041099
"726315"	582.6495495	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H+NH4"	19.041099
"1482321"	200.5635495	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+NH4"	19.041099
"394438"	787.161218	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Na"	22.989218
"760914"	1169.247218	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+Na"	22.989218
"1610104"	405.075218	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na"	22.989218
"316860"	394.084247	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H+Na"	23.996494
"712562"	585.127247	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H+Na"	23.996494
"1462128"	203.041247	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+Na"	23.996494
"1054881"	135.69659	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2H+Na"	25.00377
"1260211"	415.119486	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+CH3OH+H"	33.033486
"383164"	803.135158	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+K"	38.963158
"753644"	1185.221158	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+K"	38.963158
"1552779"	421.049158	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K"	38.963158
"312871"	402.071217	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H+K"	39.970434
"706676"	593.114217	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H+K"	39.970434
"1459115"	211.028217	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+K"	39.970434
"246622"	806.205826	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+ACN+H"	42.033826
"1221153"	424.119826	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+ACN+H"	42.033826
"1203213"	212.563551	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+ACN+2H"	43.041102
"195357"	809.14316	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2Na-H"	44.97116
"634917"	1191.22916	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2Na-H"	44.97116
"1137330"	427.05716	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2Na-H"	44.97116
"179890"	405.075218	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2Na"	45.978436
"620182"	596.118218	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2Na"	45.978436
"1124780"	214.032218	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2Na"	45.978436
"1406116"	143.023904	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+2Na"	46.985712
"1437142"	429.098746	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+HCOOH"	47.012746
"223554"	410.10824	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+3H2O+2H"	56.04448
"1510885"	443.15079	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+IsoProp+H"	61.06479
"409235"	413.062188	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Na+K"	61.952376
"778864"	604.105188	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+Na+K"	61.952376
"1676291"	222.019188	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na+K"	61.952376
"258438"	828.187768	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+ACN+Na"	64.015768
"1232239"	446.101768	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+ACN+Na"	64.015768
"1722219"	446.125293	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+NH4+HCOOH"	64.039293
"1189767"	150.351218	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+3Na"	68.967654
"1661848"	451.080688	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na+HCOOH"	68.994688
"171991"	841.09104	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2K-H"	76.91904
"612442"	1223.17704	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2K-H"	76.91904
"1093875"	459.00504	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2K-H"	76.91904
"149598"	421.049158	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2K"	77.926316
"588064"	612.092158	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2K"	77.926316
"1080234"	230.006158	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2K"	77.926316
"1104696"	461.019592	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2K+H"	78.933592
"1341081"	461.107207	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+DMSO+H"	79.021207
"1008516"	465.146376	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2ACN+H"	83.060376
"1528829"	466.140008	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+IsoProp+Na+H"	84.054008
"998560"	233.076826	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2ACN+2H"	84.067652
"1594156"	467.054628	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K+HCOOH"	84.968628
"1418723"	497.086138	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+CF3COOH"	115.000138
"1149011"	253.590101	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+3ACN+2H"	125.094202
"1701843"	514.112685	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+NH4+CF3COOH"	132.026685
"1634577"	519.06808	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na+CF3COOH"	136.98208
"1584080"	535.04202	"C08473"	"Cibarian;beta-D-Glucopyranose 16-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K+CF3COOH"	152.95602
"807885"	382.086	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M"	0
"981420"	363.06761	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H2O-H"	-19.01839
"67475"	253.716724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-3H"	-3.021828
"502940"	381.078724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-3H"	-3.021828
"889212"	126.354724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-3H"	-3.021828
"6693"	381.078724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H"	-2.014552
"441881"	572.121724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H"	-2.014552
"820775"	190.035724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H"	-2.014552
"82951"	763.164724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-H"	-1.007276
"528709"	1145.250724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-H"	-1.007276
"900312"	381.078724	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H"	-1.007276
"55780"	780.191271	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H+NH4"	16.019271
"495341"	1162.277271	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H+NH4"	16.019271
"868768"	398.105271	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H+NH4"	16.019271
"38856"	785.146666	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H+Na"	20.974666
"475136"	1167.232666	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H+Na"	20.974666
"849658"	403.060666	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H+Na"	20.974666
"1625752"	403.060666	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na-2H"	20.974666
"103384"	399.067063	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-H+Cl"	33.962126
"545131"	590.110063	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-H+Cl"	33.962126
"935364"	208.024063	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+Cl"	33.962126
"272830"	799.141402	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Cl"	34.969402
"664160"	1181.227402	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+Cl"	34.969402
"1280938"	417.055402	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl"	34.969402
"19120"	801.120606	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M-2H+K"	36.948606
"459776"	1183.206606	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M-2H+K"	36.948606
"834297"	419.034606	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-2H+K"	36.948606
"1566530"	419.034606	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K-2H"	36.948606
"943967"	427.084194	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+HCOOH"	44.998194
"362426"	809.170201	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+HCOOH-H"	44.998201
"346672"	823.185851	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Hac-H"	59.013851
"1492895"	441.099851	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Hac-H"	59.013851
"960859"	449.066151	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+NaCOOH"	66.980151
"116326"	417.055402	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2Cl"	69.938804
"553704"	608.098402	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2Cl"	69.938804
"1029064"	226.012402	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2Cl"	69.938804
"1241754"	461.004885	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Br"	78.918885
"1304893"	463.060872	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl+HCOOH"	80.974872
"1328592"	485.042829	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl+NaCOOH"	102.956829
"917464"	495.071586	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M-H+CF3COOH"	112.985586
"1293080"	531.048264	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Cl+CF3COOH"	148.962264
"1379626"	347.073324	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H-2H2O"	-35.012676
"1394204"	365.0833	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H-H2O"	-17.0027
"289514"	765.179276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H"	1.007276
"683029"	1147.265276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H"	1.007276
"1356099"	383.093276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H"	1.007276
"126194"	383.093276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2H"	2.014552
"566724"	574.136276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2H"	2.014552
"1037351"	192.050276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2H"	2.014552
"206340"	255.731276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+3H"	3.021828
"645536"	383.093276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+3H"	3.021828
"1163784"	128.369276	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+3H"	3.021828
"425234"	782.205823	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+NH4"	18.033823
"787207"	1164.291823	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+NH4"	18.033823
"1682076"	400.119823	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+NH4"	18.033823
"334000"	391.6065495	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H+NH4"	19.041099
"727516"	582.6495495	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H+NH4"	19.041099
"1481700"	200.5635495	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+NH4"	19.041099
"395638"	787.161218	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Na"	22.989218
"762117"	1169.247218	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+Na"	22.989218
"1609121"	405.075218	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na"	22.989218
"316970"	394.084247	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H+Na"	23.996494
"712672"	585.127247	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H+Na"	23.996494
"1466489"	203.041247	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+Na"	23.996494
"1055721"	135.69659	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2H+Na"	25.00377
"1259228"	415.119486	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+CH3OH+H"	33.033486
"383274"	803.135158	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+K"	38.963158
"753876"	1185.221158	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+K"	38.963158
"1550338"	421.049158	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K"	38.963158
"313833"	402.071217	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+H+K"	39.970434
"705775"	593.114217	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+H+K"	39.970434
"1458497"	211.028217	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+K"	39.970434
"247462"	806.205826	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+ACN+H"	42.033826
"1222357"	424.119826	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+ACN+H"	42.033826
"1203323"	212.563551	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+ACN+2H"	43.041102
"200570"	809.14316	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2Na-H"	44.97116
"635027"	1191.22916	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2Na-H"	44.97116
"1141449"	427.05716	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2Na-H"	44.97116
"180730"	405.075218	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2Na"	45.978436
"622479"	596.118218	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2Na"	45.978436
"1124890"	214.032218	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2Na"	45.978436
"1408413"	143.023904	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+2Na"	46.985712
"1436155"	429.098746	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+HCOOH"	47.012746
"224758"	410.10824	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+3H2O+2H"	56.04448
"1512818"	443.15079	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+IsoProp+H"	61.06479
"411045"	413.062188	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+Na+K"	61.952376
"780067"	604.105188	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+Na+K"	61.952376
"1675310"	222.019188	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na+K"	61.952376
"261829"	828.187768	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+ACN+Na"	64.015768
"1233442"	446.101768	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+ACN+Na"	64.015768
"1721601"	446.125293	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+NH4+HCOOH"	64.039293
"1189877"	150.351218	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+3Na"	68.967654
"1665555"	451.080688	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na+HCOOH"	68.994688
"172800"	841.09104	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2K-H"	76.91904
"607286"	1223.17704	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2K-H"	76.91904
"1095077"	459.00504	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2K-H"	76.91904
"148614"	421.049158	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"2M+2K"	77.926316
"585988"	612.092158	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"3M+2K"	77.926316
"1073784"	230.006158	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2K"	77.926316
"1104077"	461.019592	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2K+H"	78.933592
"1342285"	461.107207	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+DMSO+H"	79.021207
"1007896"	465.146376	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2ACN+H"	83.060376
"1528942"	466.140008	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+IsoProp+Na+H"	84.054008
"998671"	233.076826	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+2ACN+2H"	84.067652
"1593174"	467.054628	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K+HCOOH"	84.968628
"1418833"	497.086138	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+H+CF3COOH"	115.000138
"1154589"	253.590101	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+3ACN+2H"	125.094202
"1698673"	514.112685	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+NH4+CF3COOH"	132.026685
"1636511"	519.06808	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+Na+CF3COOH"	136.98208
"1584190"	535.04202	"C08474"	"Coronarian;alpha-D-Glucopyranose 26-bis(3-nitropropanoate)"	"C12H18N2O12"	"382.086"	"M+K+CF3COOH"	152.95602
"811276"	283.0804	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M"	0
"981530"	264.06201	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-H2O-H"	-19.01839
"66491"	187.712990666667	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M-3H"	-3.021828
"514801"	282.073124	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M-3H"	-3.021828
"886041"	93.3528573333333	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-3H"	-3.021828
"6803"	282.073124	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M-2H"	-2.014552
"443084"	423.613324	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M-2H"	-2.014552
"823071"	140.532924	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-2H"	-2.014552
"82333"	565.153524	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M-H"	-1.007276
"523716"	848.233924	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M-H"	-1.007276
"900423"	282.073124	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-H"	-1.007276
"55890"	582.180071	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M-2H+NH4"	16.019271
"496544"	865.260471	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M-2H+NH4"	16.019271
"868878"	299.099671	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-2H+NH4"	16.019271
"36779"	587.135466	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M-2H+Na"	20.974666
"475246"	870.215866	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M-2H+Na"	20.974666
"849889"	304.055066	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-2H+Na"	20.974666
"1625862"	304.055066	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Na-2H"	20.974666
"98026"	300.061463	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M-H+Cl"	33.962126
"539773"	441.601663	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M-H+Cl"	33.962126
"933284"	158.521263	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-H+Cl"	33.962126
"269659"	601.130202	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+Cl"	34.969402
"665363"	884.210602	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+Cl"	34.969402
"1281048"	318.049802	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Cl"	34.969402
"19230"	603.109406	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M-2H+K"	36.948606
"459886"	886.189806	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M-2H+K"	36.948606
"834528"	320.029006	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-2H+K"	36.948606
"1560080"	320.029006	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+K-2H"	36.948606
"943956"	328.078594	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-H+HCOOH"	44.998194
"362008"	611.159001	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+HCOOH-H"	44.998201
"345711"	625.174651	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+Hac-H"	59.013851
"1492898"	342.094251	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Hac-H"	59.013851
"958859"	350.060551	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-H+NaCOOH"	66.980151
"112426"	318.049802	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+2Cl"	69.938804
"553813"	459.590002	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+2Cl"	69.938804
"1022977"	176.509602	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2Cl"	69.938804
"1253125"	361.999285	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Br"	78.918885
"1306828"	364.055272	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Cl+HCOOH"	80.974872
"1322139"	386.037229	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Cl+NaCOOH"	102.956829
"918667"	396.065986	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M-H+CF3COOH"	112.985586
"1295376"	432.042664	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Cl+CF3COOH"	148.962264
"1372447"	248.067724	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H-2H2O"	-35.012676
"1392128"	266.0777	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H-H2O"	-17.0027
"289624"	567.168076	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+H"	1.007276
"679859"	850.248476	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+H"	1.007276
"1356209"	284.087676	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H"	1.007276
"126423"	284.087676	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+2H"	2.014552
"566592"	425.627876	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+2H"	2.014552
"1037822"	142.547476	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2H"	2.014552
"206449"	189.727542666667	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+3H"	3.021828
"645279"	284.087676	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+3H"	3.021828
"1163042"	95.3674093333333	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+3H"	3.021828
"425343"	584.194623	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+NH4"	18.033823
"786580"	867.275023	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+NH4"	18.033823
"1685834"	301.114223	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+NH4"	18.033823
"335206"	292.6009495	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+H+NH4"	19.041099
"728720"	434.1411495	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+H+NH4"	19.041099
"1481447"	151.0607495	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H+NH4"	19.041099
"396111"	589.150018	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+Na"	22.989218
"762227"	872.230418	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+Na"	22.989218
"1604853"	306.069618	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Na"	22.989218
"317079"	295.078647	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+H+Na"	23.996494
"709500"	436.618847	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+H+Na"	23.996494
"1465505"	153.538447	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H+Na"	23.996494
"1053357"	102.694723333333	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2H+Na"	25.00377
"1258972"	316.113886	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+CH3OH+H"	33.033486
"385571"	605.123958	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+K"	38.963158
"753749"	888.204358	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+K"	38.963158
"1550448"	322.043558	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+K"	38.963158
"311998"	303.065617	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+H+K"	39.970434
"706129"	444.605817	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+H+K"	39.970434
"1458607"	161.525417	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H+K"	39.970434
"247207"	608.194626	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+ACN+H"	42.033826
"1222467"	325.114226	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+ACN+H"	42.033826
"1203433"	163.060751	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+ACN+2H"	43.041102
"198857"	611.13196	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+2Na-H"	44.97116
"636230"	894.21236	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+2Na-H"	44.97116
"1140829"	328.05156	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2Na-H"	44.97116
"183026"	306.069618	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+2Na"	45.978436
"621495"	447.609818	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+2Na"	45.978436
"1128280"	164.529418	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2Na"	45.978436
"1407429"	110.022037333333	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H+2Na"	46.985712
"1436265"	330.093146	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H+HCOOH"	47.012746
"228148"	311.10264	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+3H2O+2H"	56.04448
"1514022"	344.14519	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+IsoProp+H"	61.06479
"413706"	314.056588	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+Na+K"	61.952376
"780177"	455.596788	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+Na+K"	61.952376
"1677608"	172.516388	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Na+K"	61.952376
"261940"	630.176568	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+ACN+Na"	64.015768
"1233188"	347.096168	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+ACN+Na"	64.015768
"1722440"	347.119693	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+NH4+HCOOH"	64.039293
"1191445"	117.349351333333	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+3Na"	68.967654
"1665565"	352.075088	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Na+HCOOH"	68.994688
"172709"	643.07984	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+2K-H"	76.91904
"609583"	926.16024	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+2K-H"	76.91904
"1097374"	359.99944	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2K-H"	76.91904
"148725"	322.043558	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"2M+2K"	77.926316
"587192"	463.583758	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"3M+2K"	77.926316
"1073894"	180.503358	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2K"	77.926316
"1104916"	362.013992	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2K+H"	78.933592
"1342395"	362.101607	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+DMSO+H"	79.021207
"1009101"	366.140776	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2ACN+H"	83.060376
"1529052"	367.134408	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+IsoProp+Na+H"	84.054008
"1000968"	183.574026	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+2ACN+2H"	84.067652
"1588543"	368.049028	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+K+HCOOH"	84.968628
"1418943"	398.080538	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+H+CF3COOH"	115.000138
"1154699"	204.087301	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+3ACN+2H"	125.094202
"1702063"	415.107085	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+NH4+CF3COOH"	132.026685
"1636985"	420.06248	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+Na+CF3COOH"	136.98208
"1581020"	436.03642	"C08475"	"Cucumopine"	"C11H13N3O6"	"283.0804"	"M+K+CF3COOH"	152.95602
"811386"	184.0008	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M"	0
"984920"	164.98241	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-H2O-H"	-19.01839
"65508"	121.659924	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M-3H"	-3.021828
"514911"	182.993524	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M-3H"	-3.021828
"887244"	60.326324	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-3H"	-3.021828
"8006"	182.993524	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M-2H"	-2.014552
"442827"	274.993924	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M-2H"	-2.014552
"822088"	90.993124	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-2H"	-2.014552
"83173"	366.994324	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M-H"	-1.007276
"523826"	550.995124	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M-H"	-1.007276
"899441"	182.993524	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-H"	-1.007276
"51628"	384.020871	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M-2H+NH4"	16.019271
"493376"	568.021671	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M-2H+NH4"	16.019271
"868989"	200.020071	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-2H+NH4"	16.019271
"35797"	388.976266	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M-2H+Na"	20.974666
"477544"	572.977066	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M-2H+Na"	20.974666
"855348"	204.975466	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-2H+Na"	20.974666
"1623785"	204.975466	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Na-2H"	20.974666
"98861"	200.981863	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M-H+Cl"	33.962126
"542069"	292.982263	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M-H+Cl"	33.962126
"933394"	108.981463	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-H+Cl"	33.962126
"270861"	402.971002	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+Cl"	34.969402
"665473"	586.971802	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+Cl"	34.969402
"1278971"	218.970202	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Cl"	34.969402
"19340"	404.950206	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M-2H+K"	36.948606
"459996"	588.951006	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M-2H+K"	36.948606
"835610"	220.949406	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-2H+K"	36.948606
"1562376"	220.949406	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+K-2H"	36.948606
"944063"	228.998994	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-H+HCOOH"	44.998194
"362156"	412.999801	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+HCOOH-H"	44.998201
"346406"	427.015451	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+Hac-H"	59.013851
"1493655"	243.014651	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Hac-H"	59.013851
"959980"	250.980951	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-H+NaCOOH"	66.980151
"113267"	218.970202	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+2Cl"	69.938804
"550516"	310.970602	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+2Cl"	69.938804
"1032564"	126.969802	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2Cl"	69.938804
"1249955"	262.919685	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Br"	78.918885
"1304506"	264.975672	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Cl+HCOOH"	80.974872
"1323342"	286.957629	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Cl+NaCOOH"	102.956829
"917684"	296.986386	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M-H+CF3COOH"	112.985586
"1294392"	332.963064	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Cl+CF3COOH"	148.962264
"1374740"	148.988124	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H-2H2O"	-35.012676
"1392238"	166.9981	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H-H2O"	-17.0027
"283167"	369.008876	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+H"	1.007276
"677416"	553.009676	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+H"	1.007276
"1353400"	185.008076	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H"	1.007276
"127021"	185.008076	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+2H"	2.014552
"566214"	277.008476	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+2H"	2.014552
"1038296"	93.007676	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2H"	2.014552
"205464"	123.674476	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+3H"	3.021828
"645026"	185.008076	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+3H"	3.021828
"1163515"	62.340876	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+3H"	3.021828
"424844"	386.035423	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+NH4"	18.033823
"786568"	570.036223	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+NH4"	18.033823
"1682049"	202.034623	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+NH4"	18.033823
"334221"	193.5213495	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+H+NH4"	19.041099
"724084"	285.5217495	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+H+NH4"	19.041099
"1480095"	101.5209495	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H+NH4"	19.041099
"393306"	390.990818	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+Na"	22.989218
"764523"	574.991618	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+Na"	22.989218
"1606058"	206.990018	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Na"	22.989218
"318282"	195.999047	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+H+Na"	23.996494
"710703"	287.999447	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+H+Na"	23.996494
"1464522"	103.998647	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H+Na"	23.996494
"1053752"	69.66819	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2H+Na"	25.00377
"1259082"	217.034286	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+CH3OH+H"	33.033486
"386774"	406.964758	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+K"	38.963158
"753487"	590.965558	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+K"	38.963158
"1553474"	222.963958	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+K"	38.963158
"313202"	203.986017	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+H+K"	39.970434
"706116"	295.986417	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+H+K"	39.970434
"1455436"	111.985617	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H+K"	39.970434
"247317"	410.035426	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+ACN+H"	42.033826
"1224035"	226.034626	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+ACN+H"	42.033826
"1203907"	113.520951	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+ACN+2H"	43.041102
"197871"	412.97276	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+2Na-H"	44.97116
"637434"	596.97356	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+2Na-H"	44.97116
"1143491"	228.97196	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2Na-H"	44.97116
"182042"	206.990018	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+2Na"	45.978436
"623791"	298.990418	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+2Na"	45.978436
"1126202"	114.989618	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2Na"	45.978436
"1405351"	76.995504	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H+2Na"	46.985712
"1436738"	231.013546	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H+HCOOH"	47.012746
"227164"	212.02304	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+3H2O+2H"	56.04448
"1516319"	245.06559	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+IsoProp+H"	61.06479
"413451"	214.976988	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+Na+K"	61.952376
"775912"	306.977388	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+Na+K"	61.952376
"1675894"	122.976588	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Na+K"	61.952376
"262415"	432.017368	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+ACN+Na"	64.015768
"1235485"	248.016568	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+ACN+Na"	64.015768
"1720360"	248.040093	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+NH4+HCOOH"	64.039293
"1193748"	84.322818	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+3Na"	68.967654
"1664852"	252.995488	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Na+HCOOH"	68.994688
"172491"	444.92064	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+2K-H"	76.91904
"608600"	628.92144	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+2K-H"	76.91904
"1097484"	260.91984	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2K-H"	76.91904
"148836"	222.963958	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"2M+2K"	77.926316
"587666"	314.964358	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"3M+2K"	77.926316
"1077284"	130.963558	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2K"	77.926316
"1105026"	262.934392	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2K+H"	78.933592
"1342505"	263.022007	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+DMSO+H"	79.021207
"1008847"	267.061176	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2ACN+H"	83.060376
"1530255"	268.054808	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+IsoProp+Na+H"	84.054008
"998891"	134.034226	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+2ACN+2H"	84.067652
"1590113"	268.969428	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+K+HCOOH"	84.968628
"1419053"	299.000938	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+H+CF3COOH"	115.000138
"1155902"	154.547501	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+3ACN+2H"	125.094202
"1702173"	316.027485	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+NH4+CF3COOH"	132.026685
"1636731"	320.98288	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+Na+CF3COOH"	136.98208
"1581130"	336.95682	"C08476"	"Chelidonic acid;4-Oxo-4H-pyran-26-dicarboxylic acid"	"C7H4O6"	"184.0008"	"M+K+CF3COOH"	152.95602
"811496"	239.0582	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M"	0
"981750"	220.03981	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-H2O-H"	-19.01839
"71085"	158.364857333333	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M-3H"	-3.021828
"513928"	238.050924	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M-3H"	-3.021828
"886263"	78.6787906666667	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-3H"	-3.021828
"1921"	238.050924	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M-2H"	-2.014552
"440386"	357.580024	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M-2H"	-2.014552
"822198"	118.521824	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-2H"	-2.014552
"84377"	477.109124	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M-H"	-1.007276
"525030"	716.167324	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M-H"	-1.007276
"900645"	238.050924	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-H"	-1.007276
"51738"	494.135671	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M-2H+NH4"	16.019271
"491299"	733.193871	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M-2H+NH4"	16.019271
"869101"	255.077471	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-2H+NH4"	16.019271
"39190"	499.091066	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M-2H+Na"	20.974666
"479843"	738.149266	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M-2H+Na"	20.974666
"854365"	260.032866	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-2H+Na"	20.974666
"1622072"	260.032866	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Na-2H"	20.974666
"102619"	256.039263	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M-H+Cl"	33.962126
"537805"	375.568363	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M-H+Cl"	33.962126
"932411"	136.510163	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-H+Cl"	33.962126
"268785"	513.085802	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+Cl"	34.969402
"662660"	752.144002	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+Cl"	34.969402
"1279081"	274.027602	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Cl"	34.969402
"26011"	515.065006	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M-2H+K"	36.948606
"460106"	754.123206	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M-2H+K"	36.948606
"837907"	276.006806	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-2H+K"	36.948606
"1561393"	276.006806	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+K-2H"	36.948606
"943322"	284.056394	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-H+HCOOH"	44.998194
"361696"	523.114601	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+HCOOH-H"	44.998201
"346274"	537.130251	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+Hac-H"	59.013851
"1493040"	298.072051	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Hac-H"	59.013851
"960095"	306.038351	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-H+NaCOOH"	66.980151
"110460"	274.027602	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+2Cl"	69.938804
"551238"	393.556702	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+2Cl"	69.938804
"1032674"	154.498502	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2Cl"	69.938804
"1250066"	317.977085	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Br"	78.918885
"1309235"	320.033072	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Cl+HCOOH"	80.974872
"1330014"	342.015029	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Cl+NaCOOH"	102.956829
"916702"	352.043786	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M-H+CF3COOH"	112.985586
"1297783"	388.020464	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Cl+CF3COOH"	148.962264
"1377037"	204.045524	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H-2H2O"	-35.012676
"1389068"	222.0555	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H-H2O"	-17.0027
"285471"	479.123676	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+H"	1.007276
"677891"	718.181876	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+H"	1.007276
"1353146"	240.065476	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H"	1.007276
"126156"	240.065476	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+2H"	2.014552
"567419"	359.594576	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+2H"	2.014552
"1040599"	120.536376	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2H"	2.014552
"205582"	160.379409333333	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+3H"	3.021828
"644653"	240.065476	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+3H"	3.021828
"1163631"	80.6933426666667	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+3H"	3.021828
"425080"	496.150223	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+NH4"	18.033823
"788264"	735.208423	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+NH4"	18.033823
"1682408"	257.092023	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+NH4"	18.033823
"333966"	248.5787495	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+H+NH4"	19.041099
"723832"	368.1078495	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+H+NH4"	19.041099
"1480574"	129.0496495	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H+NH4"	19.041099
"394145"	501.105618	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+Na"	22.989218
"762447"	740.163818	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+Na"	22.989218
"1606168"	262.047418	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Na"	22.989218
"318391"	251.056447	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+H+Na"	23.996494
"710813"	370.585547	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+H+Na"	23.996494
"1461589"	131.527347	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H+Na"	23.996494
"1053133"	88.0206566666667	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2H+Na"	25.00377
"1260650"	272.091686	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+CH3OH+H"	33.033486
"389801"	517.079558	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+K"	38.963158
"753351"	756.137758	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+K"	38.963158
"1553220"	278.021358	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+K"	38.963158
"314127"	259.043417	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+H+K"	39.970434
"706345"	378.572517	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+H+K"	39.970434
"1452266"	139.514317	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H+K"	39.970434
"248521"	520.150226	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+ACN+H"	42.033826
"1224145"	281.092026	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+ACN+H"	42.033826
"1204017"	141.049651	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+ACN+2H"	43.041102
"197981"	523.08756	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+2Na-H"	44.97116
"636451"	762.14576	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+2Na-H"	44.97116
"1143236"	284.02936	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2Na-H"	44.97116
"179966"	262.047418	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+2Na"	45.978436
"623900"	381.576518	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+2Na"	45.978436
"1127405"	142.518318	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2Na"	45.978436
"1403274"	95.3479706666667	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H+2Na"	46.985712
"1435391"	286.070946	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H+HCOOH"	47.012746
"226180"	267.08044	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+3H2O+2H"	56.04448
"1517522"	300.12299	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+IsoProp+H"	61.06479
"418300"	270.034388	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+Na+K"	61.952376
"776022"	389.563488	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+Na+K"	61.952376
"1674543"	150.505288	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Na+K"	61.952376
"259971"	542.132168	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+ACN+Na"	64.015768
"1235594"	303.073968	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+ACN+Na"	64.015768
"1716095"	303.097493	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+NH4+HCOOH"	64.039293
"1191303"	102.675284666667	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+3Na"	68.967654
"1662286"	308.052888	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Na+HCOOH"	68.994688
"172763"	555.03544	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+2K-H"	76.91904
"608710"	794.09364	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+2K-H"	76.91904
"1097594"	315.97724	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2K-H"	76.91904
"148946"	278.021358	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"2M+2K"	77.926316
"586318"	397.550458	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"3M+2K"	77.926316
"1077394"	158.492258	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2K"	77.926316
"1102949"	317.991792	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2K+H"	78.933592
"1340427"	318.079407	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+DMSO+H"	79.021207
"1010051"	322.118576	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2ACN+H"	83.060376
"1526353"	323.112208	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+IsoProp+Na+H"	84.054008
"993533"	161.562926	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+2ACN+2H"	84.067652
"1590223"	324.026828	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+K+HCOOH"	84.968628
"1416246"	354.058338	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+H+CF3COOH"	115.000138
"1158199"	182.076201	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+3ACN+2H"	125.094202
"1702283"	371.084885	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+NH4+CF3COOH"	132.026685
"1640121"	376.04028	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+Na+CF3COOH"	136.98208
"1584520"	392.01422	"C08477"	"Dianthalexin;7-Hydroxy-2-phenyl-4H-31-benzoxazin-4-one"	"C14H9NO3"	"239.0582"	"M+K+CF3COOH"	152.95602
"805045"	289.0586	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M"	0
"981860"	270.04021	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-H2O-H"	-19.01839
"71195"	191.698457333333	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M-3H"	-3.021828
"514038"	288.051324	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M-3H"	-3.021828
"892934"	95.3455906666667	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-3H"	-3.021828
"6041"	288.051324	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M-2H"	-2.014552
"444508"	432.580624	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M-2H"	-2.014552
"821215"	143.522024	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-2H"	-2.014552
"84487"	577.109924	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M-H"	-1.007276
"528421"	866.168524	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M-H"	-1.007276
"904034"	288.051324	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-H"	-1.007276
"55127"	594.136471	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M-2H+NH4"	16.019271
"494688"	883.195071	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M-2H+NH4"	16.019271
"872490"	305.077871	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-2H+NH4"	16.019271
"41485"	599.091866	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M-2H+Na"	20.974666
"481046"	888.150466	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M-2H+Na"	20.974666
"857757"	310.033266	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-2H+Na"	20.974666
"1622182"	310.033266	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Na-2H"	20.974666
"106010"	306.039663	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M-H+Cl"	33.962126
"541199"	450.568963	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M-H+Cl"	33.962126
"933617"	161.510363	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-H+Cl"	33.962126
"268893"	613.086602	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+Cl"	34.969402
"662043"	902.145202	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+Cl"	34.969402
"1275911"	324.028002	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Cl"	34.969402
"22841"	615.065806	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M-2H+K"	36.948606
"463496"	904.124406	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M-2H+K"	36.948606
"841298"	326.007206	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-2H+K"	36.948606
"1559317"	326.007206	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+K-2H"	36.948606
"944287"	334.056794	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-H+HCOOH"	44.998194
"364325"	623.115401	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+HCOOH-H"	44.998201
"348208"	637.131051	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+Hac-H"	59.013851
"1493759"	348.072451	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Hac-H"	59.013851
"965674"	356.038751	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-H+NaCOOH"	66.980151
"113851"	324.028002	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+2Cl"	69.938804
"553049"	468.557302	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+2Cl"	69.938804
"1035700"	179.498702	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2Cl"	69.938804
"1249083"	367.977485	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Br"	78.918885
"1309345"	370.033472	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Cl+HCOOH"	80.974872
"1327940"	392.015429	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Cl+NaCOOH"	102.956829
"920091"	402.044186	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M-H+CF3COOH"	112.985586
"1297893"	438.020864	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Cl+CF3COOH"	148.962264
"1378242"	254.045924	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H-2H2O"	-35.012676
"1392458"	272.0559	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H-H2O"	-17.0027
"296517"	579.124476	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+H"	1.007276
"676910"	868.183076	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+H"	1.007276
"1353259"	290.065876	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H"	1.007276
"127240"	290.065876	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+2H"	2.014552
"567529"	434.595176	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+2H"	2.014552
"1040709"	145.536576	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2H"	2.014552
"206054"	193.713009333333	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+3H"	3.021828
"645612"	290.065876	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+3H"	3.021828
"1163740"	97.3601426666667	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+3H"	3.021828
"426649"	596.151023	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+NH4"	18.033823
"786305"	885.209623	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+NH4"	18.033823
"1683611"	307.092423	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+NH4"	18.033823
"333348"	298.5791495	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+H+NH4"	19.041099
"724672"	443.1084495	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+H+NH4"	19.041099
"1478858"	154.0498495	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H+NH4"	19.041099
"394984"	601.106418	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+Na"	22.989218
"762557"	890.165018	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+Na"	22.989218
"1605185"	312.047818	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Na"	22.989218
"315222"	301.056847	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+H+Na"	23.996494
"707764"	445.586147	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+H+Na"	23.996494
"1461456"	156.527547	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H+Na"	23.996494
"1053608"	104.687456666667	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2H+Na"	25.00377
"1258574"	322.092086	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+CH3OH+H"	33.033486
"389911"	617.080358	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+K"	38.963158
"753461"	906.138958	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+K"	38.963158
"1551141"	328.021758	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+K"	38.963158
"313787"	309.043817	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+H+K"	39.970434
"706572"	453.573117	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+H+K"	39.970434
"1452376"	164.514517	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H+K"	39.970434
"245350"	620.151026	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+ACN+H"	42.033826
"1221703"	331.092426	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+ACN+H"	42.033826
"1204127"	166.049851	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+ACN+2H"	43.041102
"195905"	623.08836	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+2Na-H"	44.97116
"637655"	912.14696	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+2Na-H"	44.97116
"1138973"	334.02976	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2Na-H"	44.97116
"180077"	312.047818	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+2Na"	45.978436
"620731"	456.577118	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+2Na"	45.978436
"1123140"	167.518518	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2Na"	45.978436
"1404840"	112.014770666667	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H+2Na"	46.985712
"1435133"	336.071346	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H+HCOOH"	47.012746
"224100"	317.08084	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+3H2O+2H"	56.04448
"1515808"	350.12339	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+IsoProp+H"	61.06479
"415494"	320.034788	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+Na+K"	61.952376
"776132"	464.564088	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+Na+K"	61.952376
"1676112"	175.505488	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Na+K"	61.952376
"260081"	642.132968	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+ACN+Na"	64.015768
"1234246"	353.074368	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+ACN+Na"	64.015768
"1714744"	353.097893	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+NH4+HCOOH"	64.039293
"1191778"	119.342084666667	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+3Na"	68.967654
"1663854"	358.053288	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Na+HCOOH"	68.994688
"172715"	655.03624	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+2K-H"	76.91904
"608820"	944.09484	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+2K-H"	76.91904
"1097340"	365.97764	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2K-H"	76.91904
"149056"	328.021758	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"2M+2K"	77.926316
"587521"	472.551058	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"3M+2K"	77.926316
"1076410"	183.492458	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2K"	77.926316
"1106339"	367.992192	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2K+H"	78.933592
"1341630"	368.079807	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+DMSO+H"	79.021207
"1010161"	372.118976	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2ACN+H"	83.060376
"1528286"	373.112608	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+IsoProp+Na+H"	84.054008
"994736"	186.563126	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+2ACN+2H"	84.067652
"1590333"	374.027228	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+K+HCOOH"	84.968628
"1422553"	404.058738	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+H+CF3COOH"	115.000138
"1157216"	207.076401	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+3ACN+2H"	125.094202
"1702393"	421.085285	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+NH4+CF3COOH"	132.026685
"1640231"	426.04068	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+Na+CF3COOH"	136.98208
"1584630"	442.01462	"C08478"	"Dianthramine;22-Iminobis(4-hydroxybenzoic acid)"	"C14H11NO6"	"289.0586"	"M+K+CF3COOH"	152.95602
"805155"	205.0375	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M"	0
"981970"	186.01911	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-H2O-H"	-19.01839
"74585"	135.684390666667	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M-3H"	-3.021828
"515238"	204.030224	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M-3H"	-3.021828
"888669"	67.3385573333333	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-3H"	-3.021828
"5057"	204.030224	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M-2H"	-2.014552
"444618"	306.548974	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M-2H"	-2.014552
"823511"	101.511474	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-2H"	-2.014552
"85692"	409.067724	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M-H"	-1.007276
"530719"	614.105224	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M-H"	-1.007276
"900865"	204.030224	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-H"	-1.007276
"58520"	426.094271	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M-2H+NH4"	16.019271
"495894"	631.131771	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M-2H+NH4"	16.019271
"876976"	221.056771	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-2H+NH4"	16.019271
"38316"	431.049666	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M-2H+Na"	20.974666
"482253"	636.087166	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M-2H+Na"	20.974666
"862242"	226.012166	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-2H+Na"	20.974666
"1630679"	226.012166	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Na-2H"	20.974666
"102840"	222.018563	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M-H+Cl"	33.962126
"544590"	324.537313	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M-H+Cl"	33.962126
"933728"	119.499813	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-H+Cl"	33.962126
"272285"	445.044402	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+Cl"	34.969402
"663975"	650.081902	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+Cl"	34.969402
"1273950"	240.006902	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Cl"	34.969402
"25139"	447.023606	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M-2H+K"	36.948606
"467981"	652.061106	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M-2H+K"	36.948606
"845783"	241.986106	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-2H+K"	36.948606
"1568178"	241.986106	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+K-2H"	36.948606
"946221"	250.035694	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-H+HCOOH"	44.998194
"363706"	455.073201	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+HCOOH-H"	44.998201
"347953"	469.088851	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+Hac-H"	59.013851
"1495690"	264.051351	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Hac-H"	59.013851
"964690"	272.017651	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-H+NaCOOH"	66.980151
"117970"	240.006902	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+2Cl"	69.938804
"554254"	342.525652	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+2Cl"	69.938804
"1033990"	137.488152	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2Cl"	69.938804
"1248100"	283.956385	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Br"	78.918885
"1310549"	286.012372	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Cl+HCOOH"	80.974872
"1328050"	307.994329	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Cl+NaCOOH"	102.956829
"919109"	318.023086	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M-H+CF3COOH"	112.985586
"1299096"	353.999764	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Cl+CF3COOH"	148.962264
"1377257"	170.024824	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H-2H2O"	-35.012676
"1395848"	188.0348	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H-H2O"	-17.0027
"296627"	411.082276	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+H"	1.007276
"683581"	616.119776	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+H"	1.007276
"1356651"	206.044776	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H"	1.007276
"129174"	206.044776	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+2H"	2.014552
"569100"	308.563526	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+2H"	2.014552
"1040091"	103.526026	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2H"	2.014552
"207254"	137.698942666667	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+3H"	3.021828
"649740"	206.044776	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+3H"	3.021828
"1165675"	69.3531093333333	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+3H"	3.021828
"429675"	428.108823	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+NH4"	18.033823
"790672"	633.146323	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+NH4"	18.033823
"1685543"	223.071323	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+NH4"	18.033823
"333461"	214.5580495	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+H+NH4"	19.041099
"727339"	317.0767995	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+H+NH4"	19.041099
"1480796"	112.0392995	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H+NH4"	19.041099
"393762"	433.064218	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+Na"	22.989218
"765221"	638.101718	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+Na"	22.989218
"1611859"	228.026718	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Na"	22.989218
"321894"	217.035747	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+H+Na"	23.996494
"713222"	319.554497	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+H+Na"	23.996494
"1463760"	114.516997	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H+Na"	23.996494
"1055539"	76.6804233333333	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2H+Na"	25.00377
"1264153"	238.070986	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+CH3OH+H"	33.033486
"382731"	449.038158	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+K"	38.963158
"749198"	654.075658	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+K"	38.963158
"1550887"	244.000658	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+K"	38.963158
"310617"	225.022717	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+H+K"	39.970434
"701578"	327.541467	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+H+K"	39.970434
"1452482"	122.503967	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H+K"	39.970434
"241082"	452.108826	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+ACN+H"	42.033826
"1221813"	247.071326	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+ACN+H"	42.033826
"1200957"	124.039301	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+ACN+2H"	43.041102
"196015"	455.04616	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+2Na-H"	44.97116
"639588"	660.08366	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+2Na-H"	44.97116
"1141270"	250.00866	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2Na-H"	44.97116
"181282"	228.026718	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+2Na"	45.978436
"619747"	330.545468	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+2Na"	45.978436
"1122159"	125.507968	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2Na"	45.978436
"1403496"	84.0077373333333	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H+2Na"	46.985712
"1435974"	252.050246	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H+HCOOH"	47.012746
"224941"	233.05974	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+3H2O+2H"	56.04448
"1514461"	266.10229	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+IsoProp+H"	61.06479
"417428"	236.013688	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+Na+K"	61.952376
"776242"	338.532438	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+Na+K"	61.952376
"1673671"	133.494938	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Na+K"	61.952376
"260920"	474.090768	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+ACN+Na"	64.015768
"1232899"	269.053268	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+ACN+Na"	64.015768
"1714854"	269.076793	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+NH4+HCOOH"	64.039293
"1192979"	91.3350513333333	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+3Na"	68.967654
"1663964"	274.032188	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Na+HCOOH"	68.994688
"167182"	486.99404	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+2K-H"	76.91904
"611725"	692.03154	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+2K-H"	76.91904
"1096356"	281.95654	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2K-H"	76.91904
"155722"	244.000658	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"2M+2K"	77.926316
"583258"	346.519408	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"3M+2K"	77.926316
"1074333"	141.481908	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2K"	77.926316
"1106449"	283.971092	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2K+H"	78.933592
"1341740"	284.058707	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+DMSO+H"	79.021207
"1010271"	288.097876	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2ACN+H"	83.060376
"1528396"	289.091508	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+IsoProp+Na+H"	84.054008
"992659"	144.552576	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+2ACN+2H"	84.067652
"1588254"	290.006128	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+K+HCOOH"	84.968628
"1416102"	320.037638	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+H+CF3COOH"	115.000138
"1147110"	165.065851	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+3ACN+2H"	125.094202
"1697055"	337.064185	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+NH4+CF3COOH"	132.026685
"1637061"	342.01958	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+Na+CF3COOH"	136.98208
"1584740"	357.99352	"C08480"	"6-Hydroxykynurenic acid"	"C10H7NO4"	"205.0375"	"M+K+CF3COOH"	152.95602
"805265"	295.1056	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M"	0
"983174"	276.08721	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-H2O-H"	-19.01839
"74695"	195.729790666667	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M-3H"	-3.021828
"512068"	294.098324	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M-3H"	-3.021828
"888779"	97.3612573333333	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-3H"	-3.021828
"7354"	294.098324	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M-2H"	-2.014552
"445819"	441.651124	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M-2H"	-2.014552
"822529"	146.545524	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-2H"	-2.014552
"87988"	589.203924	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M-H"	-1.007276
"533141"	884.309524	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M-H"	-1.007276
"904256"	294.098324	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-H"	-1.007276
"56444"	606.230471	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M-2H+NH4"	16.019271
"500378"	901.336071	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M-2H+NH4"	16.019271
"872712"	311.124871	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-2H+NH4"	16.019271
"43894"	611.185866	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M-2H+Na"	20.974666
"482364"	906.291466	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M-2H+Na"	20.974666
"863451"	316.080266	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-2H+Na"	20.974666
"1629696"	316.080266	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Na-2H"	20.974666
"102950"	312.086663	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M-H+Cl"	33.962126
"538139"	459.639463	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M-H+Cl"	33.962126
"928005"	164.533863	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-H+Cl"	33.962126
"268507"	625.180602	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+Cl"	34.969402
"663722"	920.286202	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+Cl"	34.969402
"1273817"	330.075002	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Cl"	34.969402
"16738"	627.159806	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M-2H+K"	36.948606
"462622"	922.265406	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M-2H+K"	36.948606
"840424"	332.054206	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-2H+K"	36.948606
"1558444"	332.054206	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+K-2H"	36.948606
"948516"	340.103794	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-H+HCOOH"	44.998194
"365637"	635.209401	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+HCOOH-H"	44.998201
"348428"	649.225051	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+Hac-H"	59.013851
"1496529"	354.119451	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Hac-H"	59.013851
"963707"	362.085751	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-H+NaCOOH"	66.980151
"118080"	330.075002	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+2Cl"	69.938804
"563112"	477.627802	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+2Cl"	69.938804
"1028631"	182.522202	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2Cl"	69.938804
"1248210"	374.024485	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Br"	78.918885
"1310661"	376.080472	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Cl+HCOOH"	80.974872
"1330346"	398.062429	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Cl+NaCOOH"	102.956829
"921406"	408.091186	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M-H+CF3COOH"	112.985586
"1297021"	444.067864	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Cl+CF3COOH"	148.962264
"1381014"	260.092924	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H-2H2O"	-35.012676
"1394866"	278.1029	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H-H2O"	-17.0027
"297832"	591.218476	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+H"	1.007276
"688795"	886.324076	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+H"	1.007276
"1353481"	296.112876	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H"	1.007276
"128556"	296.112876	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+2H"	2.014552
"567023"	443.665676	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+2H"	2.014552
"1039472"	148.560076	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2H"	2.014552
"205544"	197.744342666667	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+3H"	3.021828
"649850"	296.112876	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+3H"	3.021828
"1168337"	99.3758093333333	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+3H"	3.021828
"427233"	608.245023	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+NH4"	18.033823
"790416"	903.350623	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+NH4"	18.033823
"1685289"	313.139423	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+NH4"	18.033823
"334299"	304.6261495	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+H+NH4"	19.041099
"724896"	452.1789495	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+H+NH4"	19.041099
"1484187"	157.0733495	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H+NH4"	19.041099
"394482"	613.200418	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+Na"	22.989218
"765331"	908.306018	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+Na"	22.989218
"1613062"	318.094818	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Na"	22.989218
"322004"	307.103847	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+H+Na"	23.996494
"714425"	454.656647	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+H+Na"	23.996494
"1463869"	159.551047	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H+Na"	23.996494
"1055285"	106.703123333333	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2H+Na"	25.00377
"1266449"	328.139086	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+CH3OH+H"	33.033486
"381746"	629.174358	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+K"	38.963158
"751494"	924.279958	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+K"	38.963158
"1551361"	334.068758	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+K"	38.963158
"309998"	315.090817	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+H+K"	39.970434
"698772"	462.643617	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+H+K"	39.970434
"1452592"	167.538017	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H+K"	39.970434
"241192"	632.245026	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+ACN+H"	42.033826
"1221923"	337.139426	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+ACN+H"	42.033826
"1202160"	169.073351	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+ACN+2H"	43.041102
"196125"	635.18236	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+2Na-H"	44.97116
"640062"	930.28796	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+2Na-H"	44.97116
"1140287"	340.07676	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2Na-H"	44.97116
"178111"	318.094818	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+2Na"	45.978436
"618034"	465.647618	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+2Na"	45.978436
"1120082"	170.542018	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2Na"	45.978436
"1403606"	114.030437333333	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H+2Na"	46.985712
"1432078"	342.118346	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H+HCOOH"	47.012746
"224321"	323.12784	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+3H2O+2H"	56.04448
"1512748"	356.17039	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+IsoProp+H"	61.06479
"417537"	326.081788	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+Na+K"	61.952376
"776353"	473.634588	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+Na+K"	61.952376
"1670499"	178.528988	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Na+K"	61.952376
"261030"	654.226968	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+ACN+Na"	64.015768
"1229727"	359.121368	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+ACN+Na"	64.015768
"1715328"	359.144893	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+NH4+HCOOH"	64.039293
"1192969"	121.357751333333	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+3Na"	68.967654
"1664317"	364.100288	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Na+HCOOH"	68.994688
"168385"	667.13024	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+2K-H"	76.91904
"610862"	962.23584	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+2K-H"	76.91904
"1095738"	372.02464	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2K-H"	76.91904
"152552"	334.068758	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"2M+2K"	77.926316
"585553"	481.621558	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"3M+2K"	77.926316
"1075536"	186.515958	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2K"	77.926316
"1106560"	374.039192	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2K+H"	78.933592
"1340757"	374.126807	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+DMSO+H"	79.021207
"1012568"	378.165976	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2ACN+H"	83.060376
"1529599"	379.159608	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+IsoProp+Na+H"	84.054008
"991676"	189.586626	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+2ACN+2H"	84.067652
"1589458"	380.074228	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+K+HCOOH"	84.968628
"1415119"	410.105738	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+H+CF3COOH"	115.000138
"1147145"	210.099901	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+3ACN+2H"	125.094202
"1699332"	427.132285	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+NH4+CF3COOH"	132.026685
"1637171"	432.08768	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+Na+CF3COOH"	136.98208
"1584850"	448.06162	"C08481"	"Indican;Indican plant"	"C14H17NO6"	"295.1056"	"M+K+CF3COOH"	152.95602
"805375"	212.1412	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M"	0
"984377"	193.12281	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-H2O-H"	-19.01839
"71525"	140.420190666667	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M-3H"	-3.021828
"509990"	211.133924	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M-3H"	-3.021828
"888889"	69.7064573333333	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-3H"	-3.021828
"7464"	211.133924	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M-2H"	-2.014552
"444837"	317.204524	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M-2H"	-2.014552
"822639"	105.063324	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-2H"	-2.014552
"90286"	423.275124	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M-H"	-1.007276
"526566"	635.416324	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M-H"	-1.007276
"906555"	211.133924	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-H"	-1.007276
"59836"	440.301671	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M-2H+NH4"	16.019271
"497208"	652.442871	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M-2H+NH4"	16.019271
"878536"	228.160471	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-2H+NH4"	16.019271
"45467"	445.257066	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M-2H+Na"	20.974666
"485757"	657.398266	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M-2H+Na"	20.974666
"863927"	233.115866	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-2H+Na"	20.974666
"1631633"	233.115866	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Na-2H"	20.974666
"103060"	229.122263	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M-H+Cl"	33.962126
"541529"	335.192863	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M-H+Cl"	33.962126
"931762"	123.051663	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-H+Cl"	33.962126
"271412"	459.251802	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+Cl"	34.969402
"666020"	671.393002	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+Cl"	34.969402
"1275141"	247.110602	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Cl"	34.969402
"17698"	461.231006	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M-2H+K"	36.948606
"462732"	673.372206	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M-2H+K"	36.948606
"840534"	249.089806	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-2H+K"	36.948606
"1558554"	249.089806	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+K-2H"	36.948606
"948626"	257.139394	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-H+HCOOH"	44.998194
"367933"	469.280601	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+HCOOH-H"	44.998201
"350725"	483.296251	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+Hac-H"	59.013851
"1498826"	271.155051	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Hac-H"	59.013851
"972201"	279.121351	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-H+NaCOOH"	66.980151
"121472"	247.110602	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+2Cl"	69.938804
"563222"	353.181202	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+2Cl"	69.938804
"1028741"	141.040002	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2Cl"	69.938804
"1249414"	291.060085	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Br"	78.918885
"1314051"	293.116072	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Cl+HCOOH"	80.974872
"1331548"	315.098029	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Cl+NaCOOH"	102.956829
"920423"	325.126786	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M-H+CF3COOH"	112.985586
"1300410"	361.103464	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Cl+CF3COOH"	148.962264
"1379665"	177.128524	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H-2H2O"	-35.012676
"1396800"	195.1385	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H-H2O"	-17.0027
"295391"	425.289676	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+H"	1.007276
"682710"	637.430876	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+H"	1.007276
"1359058"	213.148476	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H"	1.007276
"130854"	213.148476	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+2H"	2.014552
"566766"	319.219076	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+2H"	2.014552
"1040309"	107.077876	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2H"	2.014552
"207112"	142.434742666667	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+3H"	3.021828
"649960"	213.148476	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+3H"	3.021828
"1165895"	71.7210093333333	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+3H"	3.021828
"431357"	442.316223	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+NH4"	18.033823
"787610"	654.457423	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+NH4"	18.033823
"1683213"	230.175023	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+NH4"	18.033823
"332950"	221.6617495	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+H+NH4"	19.041099
"724278"	327.7323495	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+H+NH4"	19.041099
"1485390"	115.5911495	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H+NH4"	19.041099
"393257"	447.271618	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+Na"	22.989218
"762889"	659.412818	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+Na"	22.989218
"1606611"	235.130418	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Na"	22.989218
"321020"	224.139447	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+H+Na"	23.996494
"712348"	330.210047	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+H+Na"	23.996494
"1461663"	118.068847	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H+Na"	23.996494
"1054061"	79.0483233333333	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2H+Na"	25.00377
"1266560"	245.174686	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+CH3OH+H"	33.033486
"382950"	463.245558	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+K"	38.963158
"749417"	675.386758	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+K"	38.963158
"1551471"	251.104358	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+K"	38.963158
"313022"	232.126417	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+H+K"	39.970434
"698882"	338.197017	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+H+K"	39.970434
"1453795"	126.055817	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H+K"	39.970434
"241302"	466.316226	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+ACN+H"	42.033826
"1222761"	254.175026	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+ACN+H"	42.033826
"1200083"	127.591151	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+ACN+2H"	43.041102
"196235"	469.25356	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+2Na-H"	44.97116
"636892"	681.39476	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+2Na-H"	44.97116
"1140397"	257.11236	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2Na-H"	44.97116
"178221"	235.130418	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+2Na"	45.978436
"617780"	341.201018	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+2Na"	45.978436
"1119098"	129.059818	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2Na"	45.978436
"1402622"	86.3756373333333	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H+2Na"	46.985712
"1433646"	259.153946	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H+HCOOH"	47.012746
"224066"	240.16344	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+3H2O+2H"	56.04448
"1513587"	273.20599	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+IsoProp+H"	61.06479
"414367"	243.117388	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+Na+K"	61.952376
"775370"	349.187988	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+Na+K"	61.952376
"1671702"	137.046788	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Na+K"	61.952376
"256035"	488.298168	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+ACN+Na"	64.015768
"1229837"	276.156968	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+ACN+Na"	64.015768
"1714709"	276.180493	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+NH4+HCOOH"	64.039293
"1191738"	93.7029513333333	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+3Na"	68.967654
"1662725"	281.135888	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Na+HCOOH"	68.994688
"167398"	501.20144	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+2K-H"	76.91904
"602588"	713.34264	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+2K-H"	76.91904
"1090379"	289.06024	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2K-H"	76.91904
"147194"	251.104358	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"2M+2K"	77.926316
"583110"	357.174958	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"3M+2K"	77.926316
"1075646"	145.033758	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2K"	77.926316
"1109950"	291.074792	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2K+H"	78.933592
"1343054"	291.162407	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+DMSO+H"	79.021207
"1011584"	295.201576	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2ACN+H"	83.060376
"1527522"	296.195208	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+IsoProp+Na+H"	84.054008
"991786"	148.104426	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+2ACN+2H"	84.067652
"1590661"	297.109828	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+K+HCOOH"	84.968628
"1414984"	327.141338	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+H+CF3COOH"	115.000138
"1147050"	168.617701	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+3ACN+2H"	125.094202
"1699442"	344.167885	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+NH4+CF3COOH"	132.026685
"1637281"	349.12328	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+Na+CF3COOH"	136.98208
"1581680"	365.09722	"C08482"	"Cucurbic acid"	"C12H20O3"	"212.1412"	"M+K+CF3COOH"	152.95602
"808765"	308.126	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M"	0
"986674"	289.10761	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-H2O-H"	-19.01839
"71635"	204.410057333333	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M-3H"	-3.021828
"517270"	307.118724	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M-3H"	-3.021828
"892282"	101.701390666667	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-3H"	-3.021828
"9762"	307.118724	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M-2H"	-2.014552
"448228"	461.181724	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M-2H"	-2.014552
"826030"	153.055724	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-2H"	-2.014552
"93924"	615.244724	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M-H"	-1.007276
"527772"	923.370724	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M-H"	-1.007276
"906666"	307.118724	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-H"	-1.007276
"59946"	632.271271	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M-2H+NH4"	16.019271
"502343"	940.397271	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M-2H+NH4"	16.019271
"878646"	324.145271	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-2H+NH4"	16.019271
"45210"	637.226666	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M-2H+Na"	20.974666
"486641"	945.352666	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M-2H+Na"	20.974666
"863832"	329.100666	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-2H+Na"	20.974666
"1631012"	329.100666	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Na-2H"	20.974666
"106450"	325.107063	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M-H+Cl"	33.962126
"537630"	479.170063	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M-H+Cl"	33.962126
"931508"	171.044063	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-H+Cl"	33.962126
"272615"	651.221402	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+Cl"	34.969402
"663941"	959.347402	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+Cl"	34.969402
"1276343"	343.095402	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Cl"	34.969402
"17811"	653.200606	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M-2H+K"	36.948606
"457374"	961.326606	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M-2H+K"	36.948606
"840644"	345.074606	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-2H+K"	36.948606
"1556959"	345.074606	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+K-2H"	36.948606
"948006"	353.124194	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-H+HCOOH"	44.998194
"365856"	661.250201	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+HCOOH-H"	44.998201
"347307"	675.265851	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+Hac-H"	59.013851
"1495654"	367.139851	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Hac-H"	59.013851
"961008"	375.106151	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-H+NaCOOH"	66.980151
"117208"	343.095402	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+2Cl"	69.938804
"557862"	497.158402	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+2Cl"	69.938804
"1033226"	189.032402	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2Cl"	69.938804
"1256734"	387.044885	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Br"	78.918885
"1316349"	389.100872	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Cl+HCOOH"	80.974872
"1332751"	411.082829	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Cl+NaCOOH"	102.956829
"922715"	421.111586	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M-H+CF3COOH"	112.985586
"1300520"	457.088264	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Cl+CF3COOH"	148.962264
"1380869"	273.113324	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H-2H2O"	-35.012676
"1396182"	291.1233	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H-H2O"	-17.0027
"296594"	617.259276	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+H"	1.007276
"679541"	925.385276	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+H"	1.007276
"1355892"	309.133276	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H"	1.007276
"132057"	309.133276	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+2H"	2.014552
"567606"	463.196276	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+2H"	2.014552
"1039326"	155.070276	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2H"	2.014552
"206493"	206.424609333333	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+3H"	3.021828
"646421"	309.133276	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+3H"	3.021828
"1166736"	103.715942666667	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+3H"	3.021828
"435841"	634.285823	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+NH4"	18.033823
"791369"	942.411823	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+NH4"	18.033823
"1685513"	326.159823	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+NH4"	18.033823
"337072"	317.6465495	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+H+NH4"	19.041099
"729493"	471.7095495	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+H+NH4"	19.041099
"1483314"	163.5835495	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H+NH4"	19.041099
"393444"	639.241218	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+Na"	22.989218
"757527"	947.367218	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+Na"	22.989218
"1606721"	331.115218	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Na"	22.989218
"318943"	320.124247	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+H+Na"	23.996494
"712458"	474.187247	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+H+Na"	23.996494
"1462383"	166.061247	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H+Na"	23.996494
"1055143"	111.043256666667	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2H+Na"	25.00377
"1262295"	341.159486	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+CH3OH+H"	33.033486
"380873"	655.215158	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+K"	38.963158
"749526"	963.341158	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+K"	38.963158
"1551581"	347.089158	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+K"	38.963158
"313375"	328.111217	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+H+K"	39.970434
"700085"	482.174217	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+H+K"	39.970434
"1454998"	174.048217	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H+K"	39.970434
"243598"	658.285826	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+ACN+H"	42.033826
"1219591"	350.159826	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+ACN+H"	42.033826
"1201286"	175.583551	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+ACN+2H"	43.041102
"194156"	661.22316	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+2Na-H"	44.97116
"635909"	969.34916	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+2Na-H"	44.97116
"1140508"	353.09716	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2Na-H"	44.97116
"181611"	331.115218	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+2Na"	45.978436
"618984"	485.178218	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+2Na"	45.978436
"1125770"	177.052218	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2Na"	45.978436
"1403826"	118.370570666667	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H+2Na"	46.985712
"1433755"	355.138746	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H+HCOOH"	47.012746
"225269"	336.14824	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+3H2O+2H"	56.04448
"1513332"	369.19079	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+IsoProp+H"	61.06479
"415571"	339.102188	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+Na+K"	61.952376
"774740"	493.165188	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+Na+K"	61.952376
"1672906"	185.039188	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Na+K"	61.952376
"258332"	680.267768	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+ACN+Na"	64.015768
"1228488"	372.141768	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+ACN+Na"	64.015768
"1715184"	372.165293	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+NH4+HCOOH"	64.039293
"1189662"	125.697884666667	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+3Na"	68.967654
"1658461"	377.120688	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Na+HCOOH"	68.994688
"166415"	693.17104	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+2K-H"	76.91904
"603792"	1001.29704	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+2K-H"	76.91904
"1087210"	385.04504	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2K-H"	76.91904
"145119"	347.089158	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"2M+2K"	77.926316
"584313"	501.152158	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"3M+2K"	77.926316
"1075758"	193.026158	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2K"	77.926316
"1104594"	387.059592	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2K+H"	78.933592
"1344258"	387.147207	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+DMSO+H"	79.021207
"1012788"	391.186376	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2ACN+H"	83.060376
"1532005"	392.180008	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+IsoProp+Na+H"	84.054008
"991167"	196.096826	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+2ACN+2H"	84.067652
"1589678"	393.094628	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+K+HCOOH"	84.968628
"1414608"	423.126138	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+H+CF3COOH"	115.000138
"1147812"	216.610101	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+3ACN+2H"	125.094202
"1702834"	440.152685	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+NH4+CF3COOH"	132.026685
"1637391"	445.10808	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+Na+CF3COOH"	136.98208
"1585070"	461.08202	"C08483"	"14-Dihydroxycornestin;Cornexistin"	"C16H20O6"	"308.126"	"M+K+CF3COOH"	152.95602
"808875"	530.4699	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M"	0
"979129"	511.45151	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-H2O-H"	-19.01839
"71745"	352.639324	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M-3H"	-3.021828
"509117"	529.462624	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M-3H"	-3.021828
"891295"	175.816024	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-3H"	-3.021828
"7685"	529.462624	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M-2H"	-2.014552
"453804"	794.697574	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M-2H"	-2.014552
"826140"	264.227674	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-2H"	-2.014552
"91600"	1059.932524	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M-H"	-1.007276
"528974"	1590.402424	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M-H"	-1.007276
"906777"	529.462624	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-H"	-1.007276
"60057"	1076.959071	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M-2H+NH4"	16.019271
"498523"	1607.428971	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M-2H+NH4"	16.019271
"878513"	546.489171	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-2H+NH4"	16.019271
"42041"	1081.914466	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M-2H+Na"	20.974666
"485976"	1612.384366	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M-2H+Na"	20.974666
"863413"	551.444566	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-2H+Na"	20.974666
"1630029"	551.444566	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Na-2H"	20.974666
"102187"	547.450963	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M-H+Cl"	33.962126
"539561"	812.685913	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M-H+Cl"	33.962126
"931255"	282.216013	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-H+Cl"	33.962126
"270903"	1095.909202	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+Cl"	34.969402
"664052"	1626.379102	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+Cl"	34.969402
"1274636"	565.439302	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Cl"	34.969402
"17193"	1097.888406	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M-2H+K"	36.948606
"464045"	1628.358306	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M-2H+K"	36.948606
"838567"	567.418506	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-2H+K"	36.948606
"1556461"	567.418506	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+K-2H"	36.948606
"949940"	575.468094	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-H+HCOOH"	44.998194
"366696"	1105.938001	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+HCOOH-H"	44.998201
"354223"	1119.953651	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+Hac-H"	59.013851
"1499410"	589.483751	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Hac-H"	59.013851
"960754"	597.450051	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-H+NaCOOH"	66.980151
"117318"	565.439302	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+2Cl"	69.938804
"557972"	830.674252	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+2Cl"	69.938804
"1035889"	300.204352	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2Cl"	69.938804
"1254007"	609.388785	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Br"	78.918885
"1317553"	611.444772	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Cl+HCOOH"	80.974872
"1332861"	633.426729	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Cl+NaCOOH"	102.956829
"920638"	643.455486	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M-H+CF3COOH"	112.985586
"1301721"	679.432164	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Cl+CF3COOH"	148.962264
"1376601"	495.457224	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H-2H2O"	-35.012676
"1395197"	513.4672	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H-H2O"	-17.0027
"295611"	1061.947076	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+H"	1.007276
"685118"	1592.416976	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+H"	1.007276
"1358190"	531.477176	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H"	1.007276
"132167"	531.477176	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+2H"	2.014552
"566987"	796.712126	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+2H"	2.014552
"1038950"	266.242226	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2H"	2.014552
"206604"	354.653876	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+3H"	3.021828
"645439"	531.477176	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+3H"	3.021828
"1166482"	177.830576	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+3H"	3.021828
"435952"	1078.973623	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+NH4"	18.033823
"791479"	1609.443523	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+NH4"	18.033823
"1687811"	548.503723	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+NH4"	18.033823
"338277"	539.9904495	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+H+NH4"	19.041099
"729603"	805.2253995	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+H+NH4"	19.041099
"1483424"	274.7554995	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H+NH4"	19.041099
"394691"	1083.929018	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+Na"	22.989218
"758729"	1614.398918	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+Na"	22.989218
"1607923"	553.459118	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Na"	22.989218
"317958"	542.468147	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+H+Na"	23.996494
"709285"	807.703097	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+H+Na"	23.996494
"1462127"	277.233197	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H+Na"	23.996494
"1053309"	185.15789	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2H+Na"	25.00377
"1259123"	563.503386	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+CH3OH+H"	33.033486
"382073"	1099.902958	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+K"	38.963158
"746356"	1630.372858	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+K"	38.963158
"1552784"	569.433058	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+K"	38.963158
"311054"	550.455117	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+H+K"	39.970434
"701288"	815.690067	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+H+K"	39.970434
"1456201"	285.220167	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H+K"	39.970434
"242615"	1102.973626	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+ACN+H"	42.033826
"1217514"	572.503726	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+ACN+H"	42.033826
"1201396"	286.755501	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+ACN+2H"	43.041102
"192443"	1105.91096	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+2Na-H"	44.97116
"634919"	1636.38086	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+2Na-H"	44.97116
"1141706"	575.44106	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2Na-H"	44.97116
"180620"	553.459118	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+2Na"	45.978436
"619453"	818.694068	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+2Na"	45.978436
"1122601"	288.224168	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2Na"	45.978436
"1403934"	192.485204	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H+2Na"	46.985712
"1432772"	577.482646	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H+HCOOH"	47.012746
"222463"	558.49214	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+3H2O+2H"	56.04448
"1511984"	591.53469	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+IsoProp+H"	61.06479
"415681"	561.446088	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+Na+K"	61.952376
"771207"	826.681038	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+Na+K"	61.952376
"1671923"	296.211138	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Na+K"	61.952376
"258442"	1124.955568	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+ACN+Na"	64.015768
"1228234"	594.485668	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+ACN+Na"	64.015768
"1714202"	594.509193	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+NH4+HCOOH"	64.039293
"1191958"	199.812518	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+3Na"	68.967654
"1661851"	599.464588	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Na+HCOOH"	68.994688
"168711"	1137.85884	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+2K-H"	76.91904
"600255"	1668.32874	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+2K-H"	76.91904
"1087683"	607.38894	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2K-H"	76.91904
"143770"	569.433058	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"2M+2K"	77.926316
"583572"	834.668008	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"3M+2K"	77.926316
"1074771"	304.198108	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2K"	77.926316
"1106891"	609.403492	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2K+H"	78.933592
"1346555"	609.491107	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+DMSO+H"	79.021207
"1017272"	613.530276	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2ACN+H"	83.060376
"1532115"	614.523908	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+IsoProp+Na+H"	84.054008
"996380"	307.268776	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+2ACN+2H"	84.067652
"1589059"	615.438528	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+K+HCOOH"	84.968628
"1414715"	645.470038	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+H+CF3COOH"	115.000138
"1147922"	327.782051	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+3ACN+2H"	125.094202
"1702944"	662.496585	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+NH4+CF3COOH"	132.026685
"1637501"	667.45198	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+Na+CF3COOH"	136.98208
"1585180"	683.42592	"C08484"	"Epoxymurin-A"	"C35H62O3"	"530.4699"	"M+K+CF3COOH"	152.95602
"812266"	280.1099	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M"	0
"979239"	261.09151	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-H2O-H"	-19.01839
"70762"	185.732657333333	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M-3H"	-3.021828
"510320"	279.102624	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M-3H"	-3.021828
"891405"	92.3626906666667	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-3H"	-3.021828
"4515"	279.102624	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M-2H"	-2.014552
"452700"	419.157574	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M-2H"	-2.014552
"826250"	139.047674	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-2H"	-2.014552
"90616"	559.212524	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M-H"	-1.007276
"524710"	839.322424	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M-H"	-1.007276
"904699"	279.102624	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-H"	-1.007276
"57980"	576.239071	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M-2H+NH4"	16.019271
"494260"	856.348971	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M-2H+NH4"	16.019271
"876436"	296.129171	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-2H+NH4"	16.019271
"43246"	581.194466	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M-2H+Na"	20.974666
"484993"	861.304366	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M-2H+Na"	20.974666
"861701"	301.084566	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-2H+Na"	20.974666
"1631965"	301.084566	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Na-2H"	20.974666
"102297"	297.090963	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M-H+Cl"	33.962126
"545137"	437.145913	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M-H+Cl"	33.962126
"932094"	157.036013	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-H+Cl"	33.962126
"270650"	595.189202	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+Cl"	34.969402
"660883"	875.299102	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+Cl"	34.969402
"1276571"	315.079302	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Cl"	34.969402
"16940"	597.168406	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M-2H+K"	36.948606
"463062"	877.278306	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M-2H+K"	36.948606
"838677"	317.058506	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-2H+K"	36.948606
"1556084"	317.058506	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+K-2H"	36.948606
"950050"	325.108094	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-H+HCOOH"	44.998194
"366442"	605.218001	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+HCOOH-H"	44.998201
"354333"	619.233651	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+Hac-H"	59.013851
"1498792"	339.123751	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Hac-H"	59.013851
"960864"	347.090051	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-H+NaCOOH"	66.980151
"119615"	315.079302	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+2Cl"	69.938804
"561362"	455.134252	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+2Cl"	69.938804
"1034905"	175.024352	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2Cl"	69.938804
"1254117"	359.028785	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Br"	78.918885
"1317664"	361.084772	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Cl+HCOOH"	80.974872
"1332971"	383.066729	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Cl+NaCOOH"	102.956829
"920748"	393.095486	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M-H+CF3COOH"	112.985586
"1299645"	429.072164	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Cl+CF3COOH"	148.962264
"1377805"	245.097224	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H-2H2O"	-35.012676
"1394213"	263.1072	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H-H2O"	-17.0027
"294994"	561.227076	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+H"	1.007276
"681948"	841.336976	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+H"	1.007276
"1360487"	281.117176	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H"	1.007276
"130090"	281.117176	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+2H"	2.014552
"567464"	421.172126	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+2H"	2.014552
"1037843"	141.062226	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2H"	2.014552
"205623"	187.747209333333	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+3H"	3.021828
"645914"	281.117176	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+3H"	3.021828
"1166956"	94.3772426666667	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+3H"	3.021828
"434969"	578.253623	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+NH4"	18.033823
"787213"	858.363523	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+NH4"	18.033823
"1687922"	298.143723	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+NH4"	18.033823
"335106"	289.6304495	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+H+NH4"	19.041099
"729713"	429.6853995	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+H+NH4"	19.041099
"1485722"	149.5754995	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H+NH4"	19.041099
"395652"	583.209018	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+Na"	22.989218
"756645"	863.318918	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+Na"	22.989218
"1608024"	303.099118	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Na"	22.989218
"316974"	292.108147	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+H+Na"	23.996494
"707450"	432.163097	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+H+Na"	23.996494
"1465396"	152.053197	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H+Na"	23.996494
"1053416"	101.704556666667	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2H+Na"	25.00377
"1259233"	313.143386	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+CH3OH+H"	33.033486
"381090"	599.182958	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+K"	38.963158
"744279"	879.292858	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+K"	38.963158
"1551800"	319.073058	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+K"	38.963158
"311164"	300.095117	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+H+K"	39.970434
"701398"	440.150067	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+H+K"	39.970434
"1454124"	160.040167	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H+K"	39.970434
"242724"	602.253626	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+ACN+H"	42.033826
"1217624"	322.143726	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+ACN+H"	42.033826
"1199319"	161.575501	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+ACN+2H"	43.041102
"196562"	605.19096	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+2Na-H"	44.97116
"637214"	885.30086	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+2Na-H"	44.97116
"1140723"	325.08106	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2Na-H"	44.97116
"180731"	303.099118	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+2Na"	45.978436
"619563"	443.154068	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+2Na"	45.978436
"1122705"	163.044168	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2Na"	45.978436
"1401858"	109.031870666667	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H+2Na"	46.985712
"1431789"	327.122646	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H+HCOOH"	47.012746
"222210"	308.13214	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+3H2O+2H"	56.04448
"1511002"	341.17469	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+IsoProp+H"	61.06479
"415791"	311.086088	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+Na+K"	61.952376
"774233"	451.141038	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+Na+K"	61.952376
"1672033"	171.031138	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Na+K"	61.952376
"258552"	624.235568	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+ACN+Na"	64.015768
"1226886"	344.125668	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+ACN+Na"	64.015768
"1715402"	344.149193	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+NH4+HCOOH"	64.039293
"1188788"	116.359184666667	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+3Na"	68.967654
"1663052"	349.104588	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Na+HCOOH"	68.994688
"168821"	637.13884	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+2K-H"	76.91904
"599513"	917.24874	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+2K-H"	76.91904
"1087793"	357.02894	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2K-H"	76.91904
"143517"	319.073058	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"2M+2K"	77.926316
"583560"	459.128008	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"3M+2K"	77.926316
"1070868"	179.018108	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2K"	77.926316
"1105907"	359.043492	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2K+H"	78.933592
"1344478"	359.131107	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+DMSO+H"	79.021207
"1013008"	363.170276	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2ACN+H"	83.060376
"1533319"	364.163908	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+IsoProp+Na+H"	84.054008
"993207"	182.088776	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+2ACN+2H"	84.067652
"1589898"	365.078528	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+K+HCOOH"	84.968628
"1418839"	395.110038	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+H+CF3COOH"	115.000138
"1149127"	202.602051	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+3ACN+2H"	125.094202
"1697097"	412.136585	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+NH4+CF3COOH"	132.026685
"1637611"	417.09198	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+Na+CF3COOH"	136.98208
"1585290"	433.06592	"C08485"	"2-(4-Methoxyphenethyl)chromone"	"C18H16O3"	"280.1099"	"M+K+CF3COOH"	152.95602
"812376"	196.1463	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M"	0
"983724"	177.12791	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"74151"	129.756924	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"513710"	195.139024	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"893705"	64.374824	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"7906"	195.139024	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"454273"	293.212174	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"828549"	97.065874	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"90728"	391.285324	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"530288"	587.431624	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"901530"	195.139024	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"61739"	408.311871	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"500328"	604.458171	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"875454"	212.165571	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"43357"	413.267266	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"486200"	609.413566	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"861813"	217.120966	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1633047"	217.120966	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"105688"	213.127363	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"547558"	311.200513	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"942290"	115.054213	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"276228"	427.262002	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"669743"	623.408302	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1279961"	231.115702	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"18143"	429.241206	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"463172"	625.387506	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"838787"	233.094906	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1558994"	233.094906	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"949067"	241.144494	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"372749"	437.290801	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"356631"	451.306451	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1501091"	255.160151	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"968630"	263.126451	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"119726"	231.115702	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"561474"	329.188852	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1036108"	133.042552	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1250948"	275.065185	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1316678"	277.121172	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1329800"	299.103129	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"923045"	309.131886	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1299027"	345.108564	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1374635"	161.133624	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1396148"	179.1436	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"296196"	393.299876	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"684248"	589.446176	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1363513"	197.153576	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"128379"	197.153576	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"567578"	295.226726	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1040751"	99.080426	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"207923"	131.771476	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"650401"	197.153576	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1170717"	66.389376	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"429615"	410.326423	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"796075"	606.472723	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1689126"	214.180123	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"335217"	205.6668495	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"733108"	303.7399995	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1485833"	107.5936995	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"396857"	415.281818	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"757851"	611.428118	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1604857"	219.135518	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"317081"	208.144547	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"709502"	306.217697	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1464416"	110.071397	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1054383"	73.71669	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1263717"	229.179786	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"382294"	431.255758	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"742565"	627.402058	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1550817"	235.109458	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"307994"	216.131517	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"704791"	314.204667	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1453143"	118.058367	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"246118"	434.326426	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1221744"	238.180126	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1206722"	119.593701	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"198496"	437.26376	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"642556"	633.41006	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1144114"	241.11746	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"184489"	219.135518	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"625143"	317.208668	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1123908"	121.062368	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1402332"	81.044004	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1434086"	243.159046	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"223778"	224.16854	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1511840"	257.21109	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"415901"	227.122488	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"774343"	325.195638	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1674695"	129.049338	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"258662"	456.308368	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1227724"	260.162068	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1714790"	260.185593	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1189991"	88.371318	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1665189"	265.140988	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"170024"	469.21164	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"599017"	665.35794	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1087173"	273.06534	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"143626"	235.109458	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"583919"	333.182608	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1074991"	137.036308	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1104924"	275.079892	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1344588"	275.167507	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1009838"	279.206676	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1526868"	280.200308	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"992588"	140.106976	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1592193"	281.114928	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1415790"	311.146438	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1152518"	160.620251	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1703164"	328.172985	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1637721"	333.12838	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1585400"	349.10232	"C08486"	"Ethyl(EZ)-decadienoate;(2E4Z)-24-Decadienoic acid ethyl ester;Ethyl trans-2cis-4-decadienoate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"803008"	128.0837	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M"	0
"976172"	109.06531	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-H2O-H"	-19.01839
"67697"	84.3818573333333	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M-3H"	-3.021828
"513821"	127.076424	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M-3H"	-3.021828
"891627"	41.6872906666667	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-3H"	-3.021828
"4734"	127.076424	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M-2H"	-2.014552
"449764"	191.118274	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M-2H"	-2.014552
"828659"	63.034574	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-2H"	-2.014552
"88648"	255.160124	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M-H"	-1.007276
"524932"	383.243824	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M-H"	-1.007276
"908200"	127.076424	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-H"	-1.007276
"58201"	272.186671	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M-2H+NH4"	16.019271
"495574"	400.270371	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M-2H+NH4"	16.019271
"875562"	144.102971	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-2H+NH4"	16.019271
"44555"	277.142066	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M-2H+Na"	20.974666
"483021"	405.225766	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M-2H+Na"	20.974666
"859730"	149.058366	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-2H+Na"	20.974666
"1628172"	149.058366	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Na-2H"	20.974666
"101418"	145.064763	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M-H+Cl"	33.962126
"544264"	209.106613	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M-H+Cl"	33.962126
"938507"	81.022913	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-H+Cl"	33.962126
"276340"	291.136802	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+Cl"	34.969402
"674107"	419.220502	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+Cl"	34.969402
"1276789"	163.053102	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Cl"	34.969402
"29553"	293.116006	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M-2H+K"	36.948606
"466562"	421.199706	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M-2H+K"	36.948606
"838896"	165.032306	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-2H+K"	36.948606
"1567852"	165.032306	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+K-2H"	36.948606
"948079"	173.081894	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-H+HCOOH"	44.998194
"371766"	301.165601	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+HCOOH-H"	44.998201
"356741"	315.181251	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+Hac-H"	59.013851
"1504481"	187.097551	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Hac-H"	59.013851
"969835"	195.063851	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-H+NaCOOH"	66.980151
"117650"	163.053102	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+2Cl"	69.938804
"561584"	227.094952	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+2Cl"	69.938804
"1033667"	99.011252	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2Cl"	69.938804
"1252153"	207.002585	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Br"	78.918885
"1311321"	209.058572	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Cl+HCOOH"	80.974872
"1332097"	231.040529	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Cl+NaCOOH"	102.956829
"918779"	241.069286	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M-H+CF3COOH"	112.985586
"1293300"	277.045964	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Cl+CF3COOH"	148.962264
"1374742"	93.071024	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H-2H2O"	-35.012676
"1390054"	111.081	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H-H2O"	-17.0027
"295209"	257.174676	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+H"	1.007276
"689096"	385.258376	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+H"	1.007276
"1364349"	129.090976	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H"	1.007276
"130313"	129.090976	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+2H"	2.014552
"568781"	193.132826	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+2H"	2.014552
"1041955"	65.049126	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2H"	2.014552
"214230"	86.3964093333333	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+3H"	3.021828
"655979"	129.090976	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+3H"	3.021828
"1168640"	43.7018426666667	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+3H"	3.021828
"425596"	274.201223	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+NH4"	18.033823
"791814"	402.284923	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+NH4"	18.033823
"1684866"	146.117523	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+NH4"	18.033823
"333507"	137.6042495	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+H+NH4"	19.041099
"734312"	201.6460995	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+H+NH4"	19.041099
"1488132"	73.5623995	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H+NH4"	19.041099
"398060"	279.156618	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+Na"	22.989218
"762336"	407.240318	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+Na"	22.989218
"1607153"	151.072918	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Na"	22.989218
"319379"	140.081947	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+H+Na"	23.996494
"712895"	204.123797	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+H+Na"	23.996494
"1467807"	76.040097	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H+Na"	23.996494
"1056680"	51.0291566666667	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2H+Na"	25.00377
"1263828"	161.117186	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+CH3OH+H"	33.033486
"382404"	295.130558	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+K"	38.963158
"741580"	423.214258	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+K"	38.963158
"1550927"	167.046858	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+K"	38.963158
"311020"	148.068917	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+H+K"	39.970434
"704899"	212.110767	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+H+K"	39.970434
"1454346"	84.027067	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H+K"	39.970434
"248051"	298.201226	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+ACN+H"	42.033826
"1223311"	170.117526	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+ACN+H"	42.033826
"1207196"	85.562401	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+ACN+2H"	43.041102
"198971"	301.13856	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+2Na-H"	44.97116
"639624"	429.22226	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+2Na-H"	44.97116
"1143128"	173.05486	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2Na-H"	44.97116
"184232"	151.072918	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+2Na"	45.978436
"624888"	215.114768	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+2Na"	45.978436
"1125111"	87.031068	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2Na"	45.978436
"1405359"	58.3564706666667	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H+2Na"	46.985712
"1437112"	175.096446	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H+HCOOH"	47.012746
"229359"	156.10594	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+3H2O+2H"	56.04448
"1518150"	189.14849	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+IsoProp+H"	61.06479
"419291"	159.059888	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+Na+K"	61.952376
"780291"	223.101738	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+Na+K"	61.952376
"1672253"	95.018038	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Na+K"	61.952376
"256585"	320.183168	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+ACN+Na"	64.015768
"1228564"	192.099468	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+ACN+Na"	64.015768
"1717086"	192.122993	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+NH4+HCOOH"	64.039293
"1186821"	65.6837846666667	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+3Na"	68.967654
"1662180"	197.078388	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Na+HCOOH"	68.994688
"169040"	333.08644	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+2K-H"	76.91904
"600219"	461.17014	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+2K-H"	76.91904
"1089104"	205.00274	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2K-H"	76.91904
"143130"	167.046858	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"2M+2K"	77.926316
"584029"	231.088708	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"3M+2K"	77.926316
"1072185"	103.005008	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2K"	77.926316
"1105034"	207.017292	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2K+H"	78.933592
"1344698"	207.104907	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+DMSO+H"	79.021207
"1009948"	211.144076	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2ACN+H"	83.060376
"1529164"	212.137708	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+IsoProp+Na+H"	84.054008
"993427"	106.075676	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+2ACN+2H"	84.067652
"1588296"	213.052328	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+K+HCOOH"	84.968628
"1415776"	243.083838	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+H+CF3COOH"	115.000138
"1147157"	126.588951	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+3ACN+2H"	125.094202
"1703274"	260.110385	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+NH4+CF3COOH"	132.026685
"1637831"	265.06578	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+Na+CF3COOH"	136.98208
"1585510"	281.03972	"C08487"	"Ethyl tiglate;Ethyl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid ethyl ester"	"C7H12O2"	"128.0837"	"M+K+CF3COOH"	152.95602
"809315"	580.4703	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M"	0
"976287"	561.45191	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-H2O-H"	-19.01839
"67080"	385.972924	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M-3H"	-3.021828
"513932"	579.463024	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M-3H"	-3.021828
"892828"	192.482824	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-3H"	-3.021828
"5937"	579.463024	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M-2H"	-2.014552
"449874"	869.698174	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M-2H"	-2.014552
"828769"	289.227874	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-2H"	-2.014552
"89853"	1159.933324	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M-H"	-1.007276
"525042"	1740.403624	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M-H"	-1.007276
"905030"	579.463024	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-H"	-1.007276
"56123"	1176.959871	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M-2H+NH4"	16.019271
"496778"	1757.430171	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M-2H+NH4"	16.019271
"874578"	596.489571	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-2H+NH4"	16.019271
"41385"	1181.915266	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M-2H+Na"	20.974666
"483131"	1762.385566	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M-2H+Na"	20.974666
"858744"	601.444966	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-2H+Na"	20.974666
"1626095"	601.444966	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Na-2H"	20.974666
"101532"	597.451363	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M-H+Cl"	33.962126
"543280"	887.686513	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M-H+Cl"	33.962126
"933514"	307.216213	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-H+Cl"	33.962126
"278637"	1195.910002	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+Cl"	34.969402
"673973"	1776.380302	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+Cl"	34.969402
"1279085"	615.439702	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Cl"	34.969402
"30391"	1197.889206	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M-2H+K"	36.948606
"466674"	1778.359506	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M-2H+K"	36.948606
"839007"	617.418906	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-2H+K"	36.948606
"1566869"	617.418906	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+K-2H"	36.948606
"949282"	625.468494	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-H+HCOOH"	44.998194
"373698"	1205.938801	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+HCOOH-H"	44.998201
"359039"	1219.954451	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+Hac-H"	59.013851
"1506414"	639.484151	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Hac-H"	59.013851
"972133"	647.450451	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-H+NaCOOH"	66.980151
"117760"	615.439702	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+2Cl"	69.938804
"564856"	905.674852	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+2Cl"	69.938804
"1034870"	325.204552	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2Cl"	69.938804
"1255542"	659.389185	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Br"	78.918885
"1315804"	661.445172	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Cl+HCOOH"	80.974872
"1331113"	683.427129	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Cl+NaCOOH"	102.956829
"923264"	693.455886	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M-H+CF3COOH"	112.985586
"1293411"	729.432564	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Cl+CF3COOH"	148.962264
"1374852"	545.457624	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H-2H2O"	-35.012676
"1391258"	563.4676	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H-H2O"	-17.0027
"293132"	1161.947876	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+H"	1.007276
"678991"	1742.418176	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+H"	1.007276
"1352056"	581.477576	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H"	1.007276
"137353"	581.477576	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+2H"	2.014552
"573266"	871.712726	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+2H"	2.014552
"1049722"	291.242426	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2H"	2.014552
"216165"	387.987476	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+3H"	3.021828
"656091"	581.477576	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+3H"	3.021828
"1167658"	194.497376	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+3H"	3.021828
"427651"	1178.974423	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+NH4"	18.033823
"790833"	1759.444723	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+NH4"	18.033823
"1684977"	598.504123	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+NH4"	18.033823
"333254"	589.9908495	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+H+NH4"	19.041099
"731142"	880.2259995	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+H+NH4"	19.041099
"1487149"	299.7556995	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H+NH4"	19.041099
"398172"	1183.929818	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+Na"	22.989218
"761355"	1764.400118	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+Na"	22.989218
"1609453"	603.459518	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Na"	22.989218
"321677"	592.468547	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+H+Na"	23.996494
"713006"	882.703697	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+H+Na"	23.996494
"1465733"	302.233397	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H+Na"	23.996494
"1057886"	201.82469	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2H+Na"	25.00377
"1267219"	613.503786	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+CH3OH+H"	33.033486
"382514"	1199.903758	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+K"	38.963158
"748984"	1780.374058	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+K"	38.963158
"1554684"	619.433458	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+K"	38.963158
"313846"	600.455517	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+H+K"	39.970434
"705009"	890.690667	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+H+K"	39.970434
"1459924"	310.220367	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H+K"	39.970434
"248525"	1202.974426	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+ACN+H"	42.033826
"1220144"	622.504126	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+ACN+H"	42.033826
"1205119"	311.755701	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+ACN+2H"	43.041102
"201997"	1205.91176	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+2Na-H"	44.97116
"641191"	1786.38206	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+2Na-H"	44.97116
"1144696"	625.44146	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2Na-H"	44.97116
"184343"	603.459518	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+2Na"	45.978436
"624634"	893.694668	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+2Na"	45.978436
"1127408"	313.224368	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2Na"	45.978436
"1404374"	209.152004	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H+2Na"	46.985712
"1435400"	627.483046	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H+HCOOH"	47.012746
"226186"	608.49254	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+3H2O+2H"	56.04448
"1512061"	641.53509	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+IsoProp+H"	61.06479
"418308"	611.446488	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+Na+K"	61.952376
"780397"	901.681638	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+Na+K"	61.952376
"1672363"	321.211338	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Na+K"	61.952376
"256695"	1224.956368	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+ACN+Na"	64.015768
"1227581"	644.486068	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+ACN+Na"	64.015768
"1715010"	644.509593	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+NH4+HCOOH"	64.039293
"1184744"	216.479318	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+3Na"	68.967654
"1661926"	649.464988	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Na+HCOOH"	68.994688
"168057"	1237.85964	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+2K-H"	76.91904
"600694"	1818.32994	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+2K-H"	76.91904
"1092132"	657.38934	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2K-H"	76.91904
"146766"	619.433458	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"2M+2K"	77.926316
"584503"	909.668608	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"3M+2K"	77.926316
"1071931"	329.198308	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2K"	77.926316
"1108425"	659.403892	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2K+H"	78.933592
"1338248"	659.491507	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+DMSO+H"	79.021207
"1013340"	663.530676	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2ACN+H"	83.060376
"1528182"	664.524308	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+IsoProp+Na+H"	84.054008
"992443"	332.268976	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+2ACN+2H"	84.067652
"1589135"	665.438928	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+K+HCOOH"	84.968628
"1415891"	695.470438	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+H+CF3COOH"	115.000138
"1148000"	352.782251	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+3ACN+2H"	125.094202
"1703384"	712.496985	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+NH4+CF3COOH"	132.026685
"1637941"	717.45238	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+Na+CF3COOH"	136.98208
"1575779"	733.42632	"C08488"	"Giganin"	"C35H64O6"	"580.4703"	"M+K+CF3COOH"	152.95602
"803958"	168.115	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M"	0
"977488"	149.09661	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"64637"	111.069390666667	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"508573"	167.107724	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"892574"	55.0310573333333	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"10421"	167.107724	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"448889"	251.165224	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"828879"	83.050224	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"91056"	335.222724	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"524059"	503.337724	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"902954"	167.107724	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"58420"	352.249271	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"496888"	520.364271	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"877241"	184.134271	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"41495"	357.204666	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"483606"	525.319666	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"856667"	189.089666	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1627295"	189.089666	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"108207"	185.096063	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"548984"	269.153563	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"942378"	101.038563	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"279477"	371.199402	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"672629"	539.314402	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1287097"	203.084402	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"30139"	373.178606	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"465693"	541.293606	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"846776"	205.063606	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1569169"	205.063606	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"954863"	213.113194	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"375266"	381.228201	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"358785"	395.243851	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1507618"	227.128851	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"972979"	235.095151	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"125407"	203.084402	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"564000"	287.141902	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1034257"	119.026902	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1253467"	247.033885	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1318103"	249.089872	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1333411"	271.071829	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"923374"	281.100586	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1300083"	317.077264	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1376057"	133.102324	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1394648"	151.1123	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"293242"	337.237276	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"680194"	505.352276	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1353626"	169.122276	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H"	1.007276
"139284"	169.122276	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"579211"	253.179776	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1050928"	85.064776	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"218464"	113.083942666667	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"650736"	169.122276	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1167769"	57.0456093333333	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"434323"	354.263823	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"785879"	522.378823	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1683994"	186.148823	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"337738"	177.6355495	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"729065"	261.6930495	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1486166"	93.5780495	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"398284"	359.219218	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"763652"	527.334218	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1607377"	191.104218	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"321788"	180.113247	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"712023"	264.170747	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1463658"	96.055747	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1057997"	64.3729233333333	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1268423"	201.148486	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"381529"	375.193158	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"741433"	543.308158	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1554430"	207.078158	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+K"	38.963158
"310877"	188.100217	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"701839"	272.157717	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1458577"	104.042717	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"245354"	378.263826	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1219161"	210.148826	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1205228"	105.578051	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"200284"	381.20116	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"638386"	549.31616	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1144444"	213.08616	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"182632"	191.104218	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624381"	275.161718	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1124968"	107.046718	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1405576"	71.7002373333333	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1434410"	215.127746	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"228482"	196.13724	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1510349"	229.17979	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"416232"	199.091188	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"777957"	283.148688	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1670286"	115.033688	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"257900"	400.245768	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1229514"	232.130768	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1717306"	232.154293	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1189592"	79.0275513333333	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1659120"	237.109688	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"165980"	413.14904	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"601169"	581.26404	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1093331"	245.03404	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"147969"	207.078158	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"587529"	291.135658	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1075321"	123.020658	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1109628"	247.048592	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1344920"	247.136207	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1014544"	251.175376	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1528291"	252.169008	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"991823"	126.091326	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1590336"	253.083628	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1414541"	283.115138	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1147746"	146.604601	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1703494"	300.141685	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1634771"	305.09708	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1575889"	321.07102	"C08489"	"(Z)-35-Hexadienyl butyrate"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"806255"	164.1201	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M"	0
"976507"	145.10171	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-H2O-H"	-19.01839
"64018"	108.406124	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M-3H"	-3.021828
"510869"	163.112824	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M-3H"	-3.021828
"890862"	53.699424	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-3H"	-3.021828
"12717"	163.112824	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M-2H"	-2.014552
"451185"	245.172874	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M-2H"	-2.014552
"826801"	81.052774	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-2H"	-2.014552
"90073"	327.232924	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M-H"	-1.007276
"529636"	491.353024	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M-H"	-1.007276
"908531"	163.112824	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-H"	-1.007276
"59623"	344.259471	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M-2H+NH4"	16.019271
"502103"	508.379571	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M-2H+NH4"	16.019271
"879501"	180.139371	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-2H+NH4"	16.019271
"43063"	349.214866	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M-2H+Na"	20.974666
"483716"	513.334966	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M-2H+Na"	20.974666
"856777"	185.094766	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-2H+Na"	20.974666
"1626312"	185.094766	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Na-2H"	20.974666
"108684"	181.101163	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M-H+Cl"	33.962126
"546787"	263.161213	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M-H+Cl"	33.962126
"941269"	99.041113	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-H+Cl"	33.962126
"278494"	363.209602	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+Cl"	34.969402
"673466"	527.329702	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+Cl"	34.969402
"1285869"	199.089502	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Cl"	34.969402
"28425"	365.188806	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M-2H+K"	36.948606
"469811"	529.308906	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M-2H+K"	36.948606
"848303"	201.068706	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-2H+K"	36.948606
"1570658"	201.068706	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+K-2H"	36.948606
"955703"	209.118294	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-H+HCOOH"	44.998194
"376231"	373.238401	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+HCOOH-H"	44.998201
"360721"	387.254051	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+Hac-H"	59.013851
"1507731"	223.133951	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Hac-H"	59.013851
"973089"	231.100251	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-H+NaCOOH"	66.980151
"124427"	199.089502	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+2Cl"	69.938804
"565323"	281.149552	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+2Cl"	69.938804
"1035824"	117.029452	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2Cl"	69.938804
"1256374"	243.038985	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Br"	78.918885
"1318942"	245.094972	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Cl+HCOOH"	80.974872
"1334615"	267.076929	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Cl+NaCOOH"	102.956829
"923484"	277.105686	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M-H+CF3COOH"	112.985586
"1300193"	313.082364	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Cl+CF3COOH"	148.962264
"1376167"	129.107424	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H-2H2O"	-35.012676
"1393301"	147.1174	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H-H2O"	-17.0027
"293352"	329.247476	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+H"	1.007276
"679211"	493.367576	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+H"	1.007276
"1353372"	165.127376	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H"	1.007276
"139760"	165.127376	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+2H"	2.014552
"580050"	247.187426	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+2H"	2.014552
"1049578"	83.067326	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2H"	2.014552
"216751"	110.420676	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+3H"	3.021828
"654856"	165.127376	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+3H"	3.021828
"1170066"	55.713976	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+3H"	3.021828
"435163"	346.274023	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+NH4"	18.033823
"787773"	510.394123	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+NH4"	18.033823
"1683011"	182.153923	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+NH4"	18.033823
"337849"	173.6406495	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+H+NH4"	19.041099
"730998"	255.7006995	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+H+NH4"	19.041099
"1487006"	91.5805995	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H+NH4"	19.041099
"398394"	351.229418	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+Na"	22.989218
"765222"	515.349518	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+Na"	22.989218
"1607489"	187.109318	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Na"	22.989218
"318620"	176.118347	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+H+Na"	23.996494
"713227"	258.178397	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+H+Na"	23.996494
"1464861"	94.058297	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H+Na"	23.996494
"1055920"	63.04129	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2H+Na"	25.00377
"1263066"	197.153586	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+CH3OH+H"	33.033486
"379454"	367.203358	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+K"	38.963158
"739721"	531.323458	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+K"	38.963158
"1554419"	203.083258	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+K"	38.963158
"311715"	184.105317	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+H+K"	39.970434
"701585"	266.165367	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+H+K"	39.970434
"1459051"	102.045267	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H+K"	39.970434
"246557"	370.274026	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+ACN+H"	42.033826
"1220364"	206.153926	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+ACN+H"	42.033826
"1202060"	103.580601	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+ACN+2H"	43.041102
"200394"	373.21136	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+2Na-H"	44.97116
"639953"	537.33146	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+2Na-H"	44.97116
"1144675"	209.09126	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2Na-H"	44.97116
"183470"	187.109318	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+2Na"	45.978436
"621938"	269.169368	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+2Na"	45.978436
"1125444"	105.049268	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2Na"	45.978436
"1406781"	70.368604	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H+2Na"	46.985712
"1439990"	211.132846	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H+HCOOH"	47.012746
"231146"	192.14234	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+3H2O+2H"	56.04448
"1514472"	225.18489	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+IsoProp+H"	61.06479
"413064"	195.096288	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+Na+K"	61.952376
"772968"	277.156338	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+Na+K"	61.952376
"1670396"	113.036238	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Na+K"	61.952376
"258009"	392.255968	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+ACN+Na"	64.015768
"1230717"	228.135868	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+ACN+Na"	64.015768
"1722883"	228.159393	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+NH4+HCOOH"	64.039293
"1190066"	77.695918	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+3Na"	68.967654
"1659230"	233.114788	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Na+HCOOH"	68.994688
"164997"	405.15924	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+2K-H"	76.91904
"601643"	569.27934	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+2K-H"	76.91904
"1091255"	241.03914	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2K-H"	76.91904
"148079"	203.083258	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"2M+2K"	77.926316
"587639"	285.143308	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"3M+2K"	77.926316
"1075431"	121.023208	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2K"	77.926316
"1108645"	243.053692	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2K+H"	78.933592
"1346123"	243.141307	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+DMSO+H"	79.021207
"1014654"	247.180476	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2ACN+H"	83.060376
"1527308"	248.174108	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+IsoProp+Na+H"	84.054008
"991204"	124.093876	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+2ACN+2H"	84.067652
"1590446"	249.088728	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+K+HCOOH"	84.968628
"1415016"	279.120238	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+H+CF3COOH"	115.000138
"1150773"	144.607151	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+3ACN+2H"	125.094202
"1703604"	296.146785	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+NH4+CF3COOH"	132.026685
"1634878"	301.10218	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+Na+CF3COOH"	136.98208
"1575999"	317.07612	"C08490"	"Jasmone;cis-Jasmone"	"C11H16O"	"164.1201"	"M+K+CF3COOH"	152.95602
"803085"	210.1256	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M"	0
"976615"	191.10721	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-H2O-H"	-19.01839
"64857"	139.076457333333	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M-3H"	-3.021828
"508793"	209.118324	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M-3H"	-3.021828
"890971"	69.0345906666667	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-3H"	-3.021828
"10639"	209.118324	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M-2H"	-2.014552
"449108"	314.181124	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M-2H"	-2.014552
"825815"	104.055524	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-2H"	-2.014552
"90183"	419.243924	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M-H"	-1.007276
"529745"	629.369524	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M-H"	-1.007276
"906454"	209.118324	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-H"	-1.007276
"58640"	436.270471	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M-2H+NH4"	16.019271
"501604"	646.396071	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M-2H+NH4"	16.019271
"878797"	226.144871	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-2H+NH4"	16.019271
"41351"	441.225866	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M-2H+Na"	20.974666
"482004"	651.351466	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M-2H+Na"	20.974666
"855794"	231.100266	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-2H+Na"	20.974666
"1622411"	231.100266	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Na-2H"	20.974666
"107945"	227.106663	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M-H+Cl"	33.962126
"546900"	332.169463	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M-H+Cl"	33.962126
"941015"	122.043863	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-H+Cl"	33.962126
"278243"	455.220602	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+Cl"	34.969402
"672485"	665.346202	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+Cl"	34.969402
"1285615"	245.095002	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Cl"	34.969402
"29630"	457.199806	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M-2H+K"	36.948606
"469801"	667.325406	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M-2H+K"	36.948606
"845541"	247.074206	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-2H+K"	36.948606
"1569391"	247.074206	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+K-2H"	36.948606
"955813"	255.123794	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-H+HCOOH"	44.998194
"375488"	465.249401	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+HCOOH-H"	44.998201
"361194"	479.265051	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+Hac-H"	59.013851
"1507840"	269.139451	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Hac-H"	59.013851
"972833"	277.105751	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-H+NaCOOH"	66.980151
"122470"	245.095002	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+2Cl"	69.938804
"564823"	350.157802	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+2Cl"	69.938804
"1033016"	140.032202	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2Cl"	69.938804
"1251501"	289.044485	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Br"	78.918885
"1311761"	291.100472	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Cl+HCOOH"	80.974872
"1325977"	313.082429	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Cl+NaCOOH"	102.956829
"918127"	323.111186	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M-H+CF3COOH"	112.985586
"1299939"	359.087864	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Cl+CF3COOH"	148.962264
"1375183"	175.112924	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H-2H2O"	-35.012676
"1393775"	193.1229	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H-H2O"	-17.0027
"293462"	421.258476	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+H"	1.007276
"679321"	631.384076	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+H"	1.007276
"1351536"	211.132876	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H"	1.007276
"140599"	211.132876	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+2H"	2.014552
"579797"	316.195676	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+2H"	2.014552
"1050782"	106.070076	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2H"	2.014552
"216860"	141.091009333333	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+3H"	3.021828
"657149"	211.132876	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+3H"	3.021828
"1172362"	71.0491426666667	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+3H"	3.021828
"435273"	438.285023	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+NH4"	18.033823
"788977"	648.410623	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+NH4"	18.033823
"1685308"	228.159423	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+NH4"	18.033823
"337960"	219.6461495	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+H+NH4"	19.041099
"731110"	324.7089495	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+H+NH4"	19.041099
"1486390"	114.5833495	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H+NH4"	19.041099
"401421"	443.240418	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+Na"	22.989218
"767155"	653.366018	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+Na"	22.989218
"1606506"	233.114818	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Na"	22.989218
"318731"	222.123847	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+H+Na"	23.996494
"715524"	327.186647	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+H+Na"	23.996494
"1466065"	117.061047	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H+Na"	23.996494
"1059312"	78.3764566666667	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2H+Na"	25.00377
"1265363"	243.159086	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+CH3OH+H"	33.033486
"382844"	459.214358	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+K"	38.963158
"741654"	669.339958	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+K"	38.963158
"1553921"	249.088758	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+K"	38.963158
"311461"	230.110817	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+H+K"	39.970434
"701695"	335.173617	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+H+K"	39.970434
"1456977"	125.048017	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H+K"	39.970434
"243389"	462.285026	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+ACN+H"	42.033826
"1215008"	252.159426	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+ACN+H"	42.033826
"1197796"	126.583351	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+ACN+2H"	43.041102
"196134"	465.22236	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+2Na-H"	44.97116
"638971"	675.34796	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+2Na-H"	44.97116
"1141384"	255.09676	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2Na-H"	44.97116
"180301"	233.114818	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+2Na"	45.978436
"619860"	338.177618	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+2Na"	45.978436
"1122274"	128.052018	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2Na"	45.978436
"1409808"	85.7037706666667	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H+2Na"	46.985712
"1441195"	257.138346	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H+HCOOH"	47.012746
"230891"	238.14784	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+3H2O+2H"	56.04448
"1518951"	271.19039	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+IsoProp+H"	61.06479
"413176"	241.101788	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+Na+K"	61.952376
"775265"	346.164588	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+Na+K"	61.952376
"1670505"	136.038988	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Na+K"	61.952376
"255932"	484.266968	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+ACN+Na"	64.015768
"1228639"	274.141368	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+ACN+Na"	64.015768
"1719713"	274.164893	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+NH4+HCOOH"	64.039293
"1187260"	93.0310846666667	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+3Na"	68.967654
"1660433"	279.120288	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Na+HCOOH"	68.994688
"162191"	497.17024	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+2K-H"	76.91904
"601387"	707.29584	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+2K-H"	76.91904
"1088083"	287.04464	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2K-H"	76.91904
"144909"	249.088758	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"2M+2K"	77.926316
"583375"	354.151558	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"3M+2K"	77.926316
"1072261"	144.025958	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2K"	77.926316
"1108755"	289.059192	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2K+H"	78.933592
"1341858"	289.146807	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+DMSO+H"	79.021207
"1009295"	293.185976	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2ACN+H"	83.060376
"1525231"	294.179608	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+IsoProp+Na+H"	84.054008
"990954"	147.096626	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+2ACN+2H"	84.067652
"1588490"	295.094228	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+K+HCOOH"	84.968628
"1416220"	325.125738	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+H+CF3COOH"	115.000138
"1150883"	167.609901	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+3ACN+2H"	125.094202
"1703714"	342.152285	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+NH4+CF3COOH"	132.026685
"1634989"	347.10768	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+Na+CF3COOH"	136.98208
"1576109"	363.08162	"C08491"	"(-)-Jasmonic acid;Jasmonic acid;(1R2R)-3-Oxo-2-(Z)pent-2-enylcyclopent-2-enylacetic acid;Jasmonate"	"C12H18O3"	"210.1256"	"M+K+CF3COOH"	152.95602
"803559"	100.0888	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M"	0
"975630"	81.07041	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-H2O-H"	-19.01839
"64967"	65.7185906666667	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M-3H"	-3.021828
"507809"	99.081524	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M-3H"	-3.021828
"886706"	32.3556573333333	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-3H"	-3.021828
"4187"	99.081524	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M-2H"	-2.014552
"447029"	149.125924	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M-2H"	-2.014552
"827020"	49.037124	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-2H"	-2.014552
"88105"	199.170324	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M-H"	-1.007276
"524387"	299.259124	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M-H"	-1.007276
"905470"	99.081524	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-H"	-1.007276
"59843"	216.196871	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M-2H+NH4"	16.019271
"499406"	316.285671	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M-2H+NH4"	16.019271
"878907"	116.108071	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-2H+NH4"	16.019271
"43283"	221.152266	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M-2H+Na"	20.974666
"482114"	321.241066	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M-2H+Na"	20.974666
"855904"	121.063466	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-2H+Na"	20.974666
"1622157"	121.063466	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Na-2H"	20.974666
"108786"	117.069863	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M-H+Cl"	33.962126
"545910"	167.114263	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M-H+Cl"	33.962126
"941246"	67.025463	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-H+Cl"	33.962126
"279084"	235.147002	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+Cl"	34.969402
"673686"	335.235802	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+Cl"	34.969402
"1285725"	135.058202	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Cl"	34.969402
"29375"	237.126206	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M-2H+K"	36.948606
"469304"	337.215006	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M-2H+K"	36.948606
"844922"	137.037406	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-2H+K"	36.948606
"1570597"	137.037406	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+K-2H"	36.948606
"957260"	145.086994	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-H+HCOOH"	44.998194
"374505"	245.175801	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+HCOOH-H"	44.998201
"360899"	259.191451	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+Hac-H"	59.013851
"1503939"	159.102651	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Hac-H"	59.013851
"974024"	167.068951	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-H+NaCOOH"	66.980151
"122946"	135.058202	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+2Cl"	69.938804
"564690"	185.102602	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+2Cl"	69.938804
"1029846"	85.013802	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2Cl"	69.938804
"1251609"	179.007685	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Br"	78.918885
"1311142"	181.063672	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Cl+HCOOH"	80.974872
"1326087"	203.045629	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Cl+NaCOOH"	102.956829
"914591"	213.074386	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M-H+CF3COOH"	112.985586
"1298956"	249.051064	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Cl+CF3COOH"	148.962264
"1372377"	65.076124	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H-2H2O"	-35.012676
"1393885"	83.0861	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H-H2O"	-17.0027
"292479"	201.184876	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+H"	1.007276
"680524"	301.273676	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+H"	1.007276
"1352497"	101.096076	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H"	1.007276
"138885"	101.096076	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+2H"	2.014552
"579906"	151.140476	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+2H"	2.014552
"1050169"	51.051676	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2H"	2.014552
"218428"	67.7331426666667	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+3H"	3.021828
"657258"	101.096076	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+3H"	3.021828
"1175391"	34.3702093333333	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+3H"	3.021828
"434654"	218.211423	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+NH4"	18.033823
"789087"	318.300223	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+NH4"	18.033823
"1682257"	118.122623	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+NH4"	18.033823
"336977"	109.6093495	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+H+NH4"	19.041099
"733408"	159.6537495	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+H+NH4"	19.041099
"1488687"	59.5649495	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H+NH4"	19.041099
"404081"	223.166818	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+Na"	22.989218
"768358"	323.255618	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+Na"	22.989218
"1609896"	123.078018	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Na"	22.989218
"315560"	112.087047	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+H+Na"	23.996494
"713448"	162.131447	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+H+Na"	23.996494
"1469455"	62.042647	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H+Na"	23.996494
"1059422"	41.6975233333333	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2H+Na"	25.00377
"1262193"	133.122286	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+CH3OH+H"	33.033486
"382954"	239.140758	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+K"	38.963158
"741766"	339.229558	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+K"	38.963158
"1552208"	139.051958	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+K"	38.963158
"308654"	120.074017	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+H+K"	39.970434
"698889"	170.118417	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+H+K"	39.970434
"1458545"	70.029617	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H+K"	39.970434
"243499"	242.211426	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+ACN+H"	42.033826
"1218397"	142.122626	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+ACN+H"	42.033826
"1198998"	71.564951	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+ACN+2H"	43.041102
"196243"	245.14876	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+2Na-H"	44.97116
"639081"	345.23756	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+2Na-H"	44.97116
"1141494"	145.05996	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2Na-H"	44.97116
"181503"	123.078018	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+2Na"	45.978436
"616690"	173.122418	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+2Na"	45.978436
"1122383"	73.033618	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2Na"	45.978436
"1407002"	49.0248373333333	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H+2Na"	46.985712
"1440211"	147.101546	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H+HCOOH"	47.012746
"228814"	128.11104	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+3H2O+2H"	56.04448
"1515781"	161.15359	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+IsoProp+H"	61.06479
"415473"	131.064988	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+Na+K"	61.952376
"775375"	181.109388	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+Na+K"	61.952376
"1670615"	81.020588	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Na+K"	61.952376
"257136"	264.193368	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+ACN+Na"	64.015768
"1227656"	164.104568	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+ACN+Na"	64.015768
"1723103"	164.128093	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+NH4+HCOOH"	64.039293
"1184089"	56.3521513333333	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+3Na"	68.967654
"1653982"	169.083488	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Na+HCOOH"	68.994688
"168497"	277.09664	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+2K-H"	76.91904
"600404"	377.18544	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+2K-H"	76.91904
"1085642"	177.00784	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2K-H"	76.91904
"150486"	139.051958	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"2M+2K"	77.926316
"587859"	189.096358	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"3M+2K"	77.926316
"1075651"	89.007558	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2K"	77.926316
"1105584"	179.022392	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2K+H"	78.933592
"1337594"	179.110007	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+DMSO+H"	79.021207
"1014870"	183.149176	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2ACN+H"	83.060376
"1531903"	184.142808	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+IsoProp+Na+H"	84.054008
"1003817"	92.078226	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+2ACN+2H"	84.067652
"1600509"	185.057428	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+K+HCOOH"	84.968628
"1416330"	215.088938	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+H+CF3COOH"	115.000138
"1150993"	112.591501	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+3ACN+2H"	125.094202
"1703824"	232.115485	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+NH4+CF3COOH"	132.026685
"1634367"	237.07088	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+Na+CF3COOH"	136.98208
"1576219"	253.04482	"C08492"	"3-Hexenol;Leaf alcohol;3-Hexen-1-ol;(3Z)-3-Hexen-1-ol;cis-3-Hexen-1-ol;(3Z)-Hex-3-en-1-ol"	"C6H12O"	"100.0888"	"M+K+CF3COOH"	152.95602
"806585"	145.0528	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M"	0
"976836"	126.03441	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-H2O-H"	-19.01839
"63984"	95.6945906666667	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M-3H"	-3.021828
"504639"	144.045524	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M-3H"	-3.021828
"887910"	47.3436573333333	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-3H"	-3.021828
"10859"	144.045524	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M-2H"	-2.014552
"448234"	216.571924	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M-2H"	-2.014552
"828223"	71.519124	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-2H"	-2.014552
"87122"	289.098324	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M-H"	-1.007276
"527778"	434.151124	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M-H"	-1.007276
"907766"	144.045524	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-H"	-1.007276
"58859"	306.124871	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M-2H+NH4"	16.019271
"501217"	451.177671	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M-2H+NH4"	16.019271
"877315"	161.072071	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-2H+NH4"	16.019271
"44120"	311.080266	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M-2H+Na"	20.974666
"481493"	456.133066	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M-2H+Na"	20.974666
"860387"	166.027466	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-2H+Na"	20.974666
"1623360"	166.027466	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Na-2H"	20.974666
"109623"	162.033863	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M-H+Cl"	33.962126
"544926"	234.560263	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M-H+Cl"	33.962126
"935159"	89.507463	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-H+Cl"	33.962126
"279192"	325.075002	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+Cl"	34.969402
"673796"	470.127802	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+Cl"	34.969402
"1286199"	180.022202	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Cl"	34.969402
"29485"	327.054206	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M-2H+K"	36.948606
"469779"	472.107006	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M-2H+K"	36.948606
"846851"	182.001406	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-2H+K"	36.948606
"1570337"	182.001406	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+K-2H"	36.948606
"958223"	190.050994	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-H+HCOOH"	44.998194
"374247"	335.103801	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+HCOOH-H"	44.998201
"355213"	349.119451	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+Hac-H"	59.013851
"1501862"	204.066651	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Hac-H"	59.013851
"972690"	212.032951	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-H+NaCOOH"	66.980151
"121963"	180.022202	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+2Cl"	69.938804
"563343"	252.548602	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+2Cl"	69.938804
"1029956"	107.495802	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2Cl"	69.938804
"1250626"	223.971685	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Br"	78.918885
"1310888"	226.027672	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Cl+HCOOH"	80.974872
"1326196"	248.009629	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Cl+NaCOOH"	102.956829
"916887"	258.038386	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M-H+CF3COOH"	112.985586
"1299795"	294.015064	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Cl+CF3COOH"	148.962264
"1373216"	110.040124	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H-2H2O"	-35.012676
"1390715"	128.0501	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H-H2O"	-17.0027
"292589"	291.112876	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+H"	1.007276
"680634"	436.165676	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+H"	1.007276
"1354430"	146.060076	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H"	1.007276
"139360"	146.060076	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+2H"	2.014552
"579650"	218.586476	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+2H"	2.014552
"1051856"	73.533676	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2H"	2.014552
"218174"	97.7091426666667	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+3H"	3.021828
"654453"	146.060076	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+3H"	3.021828
"1168202"	49.3582093333333	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+3H"	3.021828
"433663"	308.139423	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+NH4"	18.033823
"790291"	453.192223	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+NH4"	18.033823
"1682368"	163.086623	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+NH4"	18.033823
"342554"	154.5733495	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+H+NH4"	19.041099
"734611"	227.0997495	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+H+NH4"	19.041099
"1488797"	82.0469495	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H+NH4"	19.041099
"404191"	313.094818	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+Na"	22.989218
"768468"	458.147618	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+Na"	22.989218
"1612193"	168.042018	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Na"	22.989218
"318222"	157.051047	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+H+Na"	23.996494
"713558"	229.577447	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+H+Na"	23.996494
"1469565"	84.524647	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H+Na"	23.996494
"1059532"	56.6855233333333	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2H+Na"	25.00377
"1265583"	178.086286	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+CH3OH+H"	33.033486
"385250"	329.068758	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+K"	38.963158
"741511"	474.121558	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+K"	38.963158
"1552318"	184.015958	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+K"	38.963158
"308764"	165.038017	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+H+K"	39.970434
"697906"	237.564417	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+H+K"	39.970434
"1460114"	92.511617	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H+K"	39.970434
"243609"	332.139426	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+ACN+H"	42.033826
"1216320"	187.086626	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+ACN+H"	42.033826
"1200202"	94.046951	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+ACN+2H"	43.041102
"198540"	335.07676	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+2Na-H"	44.97116
"638098"	480.12956	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+2Na-H"	44.97116
"1142697"	190.02396	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2Na-H"	44.97116
"180519"	168.042018	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+2Na"	45.978436
"620079"	240.568418	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+2Na"	45.978436
"1123587"	95.515618	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2Na"	45.978436
"1408205"	64.0128373333333	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H+2Na"	46.985712
"1440321"	192.065546	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H+HCOOH"	47.012746
"232204"	173.07504	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+3H2O+2H"	56.04448
"1515891"	206.11759	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+IsoProp+H"	61.06479
"416676"	176.028988	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+Na+K"	61.952376
"777671"	248.555388	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+Na+K"	61.952376
"1668539"	103.502588	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Na+K"	61.952376
"252506"	354.121368	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+ACN+Na"	64.015768
"1229223"	209.068568	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+ACN+Na"	64.015768
"1718840"	209.092093	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+NH4+HCOOH"	64.039293
"1184199"	71.3401513333333	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+3Na"	68.967654
"1654092"	214.047488	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Na+HCOOH"	68.994688
"168607"	367.02464	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+2K-H"	76.91904
"599420"	512.07744	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+2K-H"	76.91904
"1085752"	221.97184	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2K-H"	76.91904
"148405"	184.015958	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"2M+2K"	77.926316
"586873"	256.542358	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"3M+2K"	77.926316
"1073571"	111.489558	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2K"	77.926316
"1105693"	223.986392	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2K+H"	78.933592
"1336609"	224.074007	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+DMSO+H"	79.021207
"1011700"	228.113176	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2ACN+H"	83.060376
"1533106"	229.106808	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+IsoProp+Na+H"	84.054008
"994086"	114.560226	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+2ACN+2H"	84.067652
"1600619"	230.021428	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+K+HCOOH"	84.968628
"1419720"	260.052938	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+H+CF3COOH"	115.000138
"1147944"	135.073501	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+3ACN+2H"	125.094202
"1706122"	277.079485	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+NH4+CF3COOH"	132.026685
"1634200"	282.03488	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+Na+CF3COOH"	136.98208
"1576329"	298.00882	"C08493"	"Indole-3-carboxaldehyde;Indole-3-carbaldehyde"	"C9H7NO"	"145.0528"	"M+K+CF3COOH"	152.95602
"807788"	309.0849	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M"	0
"976945"	290.06651	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-H2O-H"	-19.01839
"64215"	205.049324	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M-3H"	-3.021828
"504381"	308.077624	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M-3H"	-3.021828
"884739"	102.021024	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-3H"	-3.021828
"9875"	308.077624	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M-2H"	-2.014552
"452717"	462.620074	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M-2H"	-2.014552
"832344"	153.535174	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-2H"	-2.014552
"89418"	617.162524	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M-H"	-1.007276
"532260"	926.247424	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M-H"	-1.007276
"908970"	308.077624	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-H"	-1.007276
"61764"	634.189071	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M-2H+NH4"	16.019271
"501812"	943.273971	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M-2H+NH4"	16.019271
"877423"	325.104171	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-2H+NH4"	16.019271
"38033"	639.144466	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M-2H+Na"	20.974666
"483790"	948.229366	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M-2H+Na"	20.974666
"858310"	330.059566	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-2H+Na"	20.974666
"1622377"	330.059566	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Na-2H"	20.974666
"109737"	326.065963	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M-H+Cl"	33.962126
"548316"	480.608413	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M-H+Cl"	33.962126
"936362"	171.523513	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-H+Cl"	33.962126
"278575"	653.139202	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+Cl"	34.969402
"673906"	962.224102	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+Cl"	34.969402
"1285215"	344.054302	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Cl"	34.969402
"30891"	655.118406	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M-2H+K"	36.948606
"470252"	964.203306	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M-2H+K"	36.948606
"845138"	346.033506	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-2H+K"	36.948606
"1569354"	346.033506	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+K-2H"	36.948606
"958131"	354.083094	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-H+HCOOH"	44.998194
"373264"	663.168001	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+HCOOH-H"	44.998201
"356416"	677.183651	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+Hac-H"	59.013851
"1500874"	368.098751	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Hac-H"	59.013851
"971951"	376.065051	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-H+NaCOOH"	66.980151
"124139"	344.054302	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+2Cl"	69.938804
"564669"	498.596752	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+2Cl"	69.938804
"1034438"	189.511852	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2Cl"	69.938804
"1254745"	388.003785	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Br"	78.918885
"1313184"	390.059772	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Cl+HCOOH"	80.974872
"1327399"	412.041729	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Cl+NaCOOH"	102.956829
"917727"	422.070486	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M-H+CF3COOH"	112.985586
"1299176"	458.047164	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Cl+CF3COOH"	148.962264
"1372597"	274.072224	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H-2H2O"	-35.012676
"1387541"	292.0822	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H-H2O"	-17.0027
"286131"	619.177076	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+H"	1.007276
"681837"	928.261976	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+H"	1.007276
"1354905"	310.092176	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H"	1.007276
"139470"	310.092176	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+2H"	2.014552
"580125"	464.634626	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+2H"	2.014552
"1051966"	155.549726	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2H"	2.014552
"217919"	207.063876	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+3H"	3.021828
"655292"	310.092176	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+3H"	3.021828
"1167219"	104.035576	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+3H"	3.021828
"432680"	636.203623	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+NH4"	18.033823
"786511"	945.288523	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+NH4"	18.033823
"1682358"	327.118723	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+NH4"	18.033823
"342665"	318.6054495	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+H+NH4"	19.041099
"733993"	473.1478995	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+H+NH4"	19.041099
"1487814"	164.0629995	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H+NH4"	19.041099
"402115"	641.159018	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+Na"	22.989218
"767850"	950.243918	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+Na"	22.989218
"1612303"	332.074118	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Na"	22.989218
"322341"	321.083147	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+H+Na"	23.996494
"718042"	475.625597	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+H+Na"	23.996494
"1466396"	166.540697	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H+Na"	23.996494
"1061829"	111.36289	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2H+Na"	25.00377
"1265692"	342.118386	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+CH3OH+H"	33.033486
"384268"	657.132958	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+K"	38.963158
"743076"	966.217858	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+K"	38.963158
"1544768"	348.048058	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+K"	38.963158
"304494"	329.070117	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+H+K"	39.970434
"694000"	483.612567	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+H+K"	39.970434
"1450740"	174.527667	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H+K"	39.970434
"242623"	660.203626	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+ACN+H"	42.033826
"1221898"	351.118726	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+ACN+H"	42.033826
"1204687"	176.063001	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+ACN+2H"	43.041102
"201930"	663.14096	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+2Na-H"	44.97116
"638208"	972.22586	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+2Na-H"	44.97116
"1140620"	354.05606	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2Na-H"	44.97116
"178443"	332.074118	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+2Na"	45.978436
"620189"	486.616568	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+2Na"	45.978436
"1123697"	177.531668	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2Na"	45.978436
"1408315"	118.690204	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H+2Na"	46.985712
"1440431"	356.097646	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H+HCOOH"	47.012746
"232314"	337.10714	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+3H2O+2H"	56.04448
"1517094"	370.14969	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+IsoProp+H"	61.06479
"420065"	340.061088	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+Na+K"	61.952376
"778874"	494.603538	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+Na+K"	61.952376
"1670836"	185.518638	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Na+K"	61.952376
"255531"	682.185568	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+ACN+Na"	64.015768
"1230065"	373.100668	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+ACN+Na"	64.015768
"1724418"	373.124193	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+NH4+HCOOH"	64.039293
"1187589"	126.017518	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+3Na"	68.967654
"1653109"	378.079588	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Na+HCOOH"	68.994688
"168717"	695.08884	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+2K-H"	76.91904
"599531"	1004.17374	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+2K-H"	76.91904
"1086227"	386.00394	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2K-H"	76.91904
"148515"	348.048058	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"2M+2K"	77.926316
"588076"	502.590508	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"3M+2K"	77.926316
"1073681"	193.505608	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2K"	77.926316
"1111270"	388.018492	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2K+H"	78.933592
"1344375"	388.106107	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+DMSO+H"	79.021207
"1015091"	392.145276	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2ACN+H"	83.060376
"1528843"	393.138908	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+IsoProp+Na+H"	84.054008
"1003916"	196.576276	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+2ACN+2H"	84.067652
"1595263"	394.053528	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+K+HCOOH"	84.968628
"1423110"	424.085038	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+H+CF3COOH"	115.000138
"1153400"	217.089551	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+3ACN+2H"	125.094202
"1709512"	441.111585	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+NH4+CF3COOH"	132.026685
"1634387"	446.06698	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+Na+CF3COOH"	136.98208
"1576439"	462.04092	"C08494"	"Isotan B"	"C14H15NO7"	"309.0849"	"M+K+CF3COOH"	152.95602
"804618"	483.0973	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M"	0
"974868"	464.07891	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-H2O-H"	-19.01839
"62855"	321.057590666667	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M-3H"	-3.021828
"504856"	482.090024	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M-3H"	-3.021828
"884849"	160.025157333333	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-3H"	-3.021828
"1358"	482.090024	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M-2H"	-2.014552
"447359"	723.638674	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M-2H"	-2.014552
"822974"	240.541374	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-2H"	-2.014552
"88435"	965.187324	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M-H"	-1.007276
"531275"	1448.284624	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M-H"	-1.007276
"904703"	482.090024	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-H"	-1.007276
"57985"	982.213871	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M-2H+NH4"	16.019271
"496451"	1465.311171	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M-2H+NH4"	16.019271
"877533"	499.116571	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-2H+NH4"	16.019271
"38873"	987.169266	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M-2H+Na"	20.974666
"478433"	1470.266566	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M-2H+Na"	20.974666
"855140"	504.071966	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-2H+Na"	20.974666
"1621393"	504.071966	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Na-2H"	20.974666
"106679"	500.078363	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M-H+Cl"	33.962126
"547330"	741.627013	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M-H+Cl"	33.962126
"936472"	258.529713	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-H+Cl"	33.962126
"279404"	1001.164002	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+Cl"	34.969402
"674017"	1484.261302	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+Cl"	34.969402
"1285325"	518.066702	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Cl"	34.969402
"28975"	1003.143206	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M-2H+K"	36.948606
"468175"	1486.240506	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M-2H+K"	36.948606
"847070"	520.045906	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-2H+K"	36.948606
"1568735"	520.045906	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+K-2H"	36.948606
"956252"	528.095494	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-H+HCOOH"	44.998194
"373010"	1011.192801	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+HCOOH-H"	44.998201
"354339"	1025.208451	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+Hac-H"	59.013851
"1498797"	542.111151	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Hac-H"	59.013851
"972180"	550.077451	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-H+NaCOOH"	66.980151
"125461"	518.066702	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+2Cl"	69.938804
"564901"	759.615352	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+2Cl"	69.938804
"1036006"	276.518052	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2Cl"	69.938804
"1254127"	562.016185	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Br"	78.918885
"1311106"	564.072172	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Cl+HCOOH"	80.974872
"1327510"	586.054129	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Cl+NaCOOH"	102.956829
"921847"	596.082886	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M-H+CF3COOH"	112.985586
"1295276"	632.059564	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Cl+CF3COOH"	148.962264
"1374530"	448.084624	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H-2H2O"	-35.012676
"1387651"	466.0946	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H-H2O"	-17.0027
"285148"	967.201876	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+H"	1.007276
"680854"	1450.299176	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+H"	1.007276
"1353922"	484.104576	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H"	1.007276
"141281"	484.104576	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+2H"	2.014552
"580357"	725.653226	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+2H"	2.014552
"1051952"	242.555926	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2H"	2.014552
"218029"	323.072142666667	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+3H"	3.021828
"655402"	484.104576	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+3H"	3.021828
"1168422"	162.039709333333	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+3H"	3.021828
"432790"	984.228423	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+NH4"	18.033823
"788322"	1467.325723	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+NH4"	18.033823
"1684655"	501.131123	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+NH4"	18.033823
"341682"	492.6178495	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+H+NH4"	19.041099
"735197"	734.1664995	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+H+NH4"	19.041099
"1487923"	251.0691995	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H+NH4"	19.041099
"404413"	989.183818	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+Na"	22.989218
"765408"	1472.281118	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+Na"	22.989218
"1611321"	506.086518	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Na"	22.989218
"321359"	495.095547	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+H+Na"	23.996494
"718152"	736.644197	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+H+Na"	23.996494
"1466506"	253.546897	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H+Na"	23.996494
"1061939"	169.367023333333	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2H+Na"	25.00377
"1265802"	516.130786	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+CH3OH+H"	33.033486
"381098"	1005.157758	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+K"	38.963158
"739906"	1488.255058	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+K"	38.963158
"1545243"	522.060458	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+K"	38.963158
"303511"	503.082517	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+H+K"	39.970434
"693747"	744.631167	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+H+K"	39.970434
"1448663"	261.533867	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H+K"	39.970434
"241639"	1008.228426	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+ACN+H"	42.033826
"1223830"	525.131126	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+ACN+H"	42.033826
"1209171"	263.069201	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+ACN+2H"	43.041102
"202041"	1011.16576	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+2Na-H"	44.97116
"637225"	1494.26306	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+2Na-H"	44.97116
"1137451"	528.06846	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2Na-H"	44.97116
"177460"	506.086518	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+2Na"	45.978436
"618113"	747.635168	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+2Na"	45.978436
"1120527"	264.537868	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2Na"	45.978436
"1404052"	176.694337333333	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H+2Na"	46.985712
"1438355"	530.110046	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H+HCOOH"	47.012746
"233153"	511.11954	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+3H2O+2H"	56.04448
"1516111"	544.16209	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+IsoProp+H"	61.06479
"415799"	514.073488	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+Na+K"	61.952376
"775701"	755.622138	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+Na+K"	61.952376
"1680785"	272.524838	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Na+K"	61.952376
"259649"	1030.210368	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+ACN+Na"	64.015768
"1228351"	547.113068	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+ACN+Na"	64.015768
"1717237"	547.136593	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+NH4+HCOOH"	64.039293
"1180409"	184.021651333333	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+3Na"	68.967654
"1654312"	552.091988	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Na+HCOOH"	68.994688
"162267"	1043.11364	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+2K-H"	76.91904
"598061"	1526.21094	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+2K-H"	76.91904
"1086092"	560.01634	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2K-H"	76.91904
"148625"	522.060458	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"2M+2K"	77.926316
"588186"	763.609108	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"3M+2K"	77.926316
"1073791"	280.511808	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2K"	77.926316
"1111380"	562.030892	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2K+H"	78.933592
"1347765"	562.118507	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+DMSO+H"	79.021207
"1015201"	566.157676	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2ACN+H"	83.060376
"1527859"	567.151308	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+IsoProp+Na+H"	84.054008
"1003054"	283.582476	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+2ACN+2H"	84.067652
"1595373"	568.065928	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+K+HCOOH"	84.968628
"1423220"	598.097438	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+H+CF3COOH"	115.000138
"1153510"	304.095751	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+3ACN+2H"	125.094202
"1708529"	615.123985	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+NH4+CF3COOH"	132.026685
"1635430"	620.07938	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+Na+CF3COOH"	136.98208
"1576549"	636.05332	"C08495"	"Karakin;Endecaphillin A;beta-D-Glucopyranose 126-tris(3-nitropropanoate)"	"C15H21N3O15"	"483.0973"	"M+K+CF3COOH"	152.95602
"804728"	277.091	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M"	0
"974354"	258.07261	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-H2O-H"	-19.01839
"65404"	183.720057333333	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M-3H"	-3.021828
"508246"	276.083724	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M-3H"	-3.021828
"883866"	91.3563906666667	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-3H"	-3.021828
"4627"	276.083724	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M-2H"	-2.014552
"449657"	414.629224	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M-2H"	-2.014552
"826364"	137.538224	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-2H"	-2.014552
"89638"	553.174724	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M-H"	-1.007276
"530292"	830.265724	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M-H"	-1.007276
"906999"	276.083724	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-H"	-1.007276
"59188"	570.201271	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M-2H+NH4"	16.019271
"499357"	847.292271	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M-2H+NH4"	16.019271
"875457"	293.110271	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-2H+NH4"	16.019271
"40077"	575.156666	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M-2H+Na"	20.974666
"475263"	852.247666	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M-2H+Na"	20.974666
"853063"	298.065666	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-2H+Na"	20.974666
"1620774"	298.065666	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Na-2H"	20.974666
"109220"	294.072063	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M-H+Cl"	33.962126
"548534"	432.617563	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M-H+Cl"	33.962126
"939862"	155.526563	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-H+Cl"	33.962126
"279514"	589.151402	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+Cl"	34.969402
"673764"	866.242402	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+Cl"	34.969402
"1286894"	312.060402	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Cl"	34.969402
"29085"	591.130606	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M-2H+K"	36.948606
"468649"	868.221606	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M-2H+K"	36.948606
"842077"	314.039606	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-2H+K"	36.948606
"1566657"	314.039606	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+K-2H"	36.948606
"955998"	322.089194	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-H+HCOOH"	44.998194
"373119"	599.180201	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+HCOOH-H"	44.998201
"353356"	613.195851	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+Hac-H"	59.013851
"1501094"	336.104851	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Hac-H"	59.013851
"970469"	344.071151	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-H+NaCOOH"	66.980151
"123747"	312.060402	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+2Cl"	69.938804
"563306"	450.605902	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+2Cl"	69.938804
"1035752"	173.514902	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2Cl"	69.938804
"1254233"	356.009885	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Br"	78.918885
"1316320"	358.065872	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Cl+HCOOH"	80.974872
"1330536"	380.047829	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Cl+NaCOOH"	102.956829
"923053"	390.076586	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M-H+CF3COOH"	112.985586
"1300854"	426.053264	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Cl+CF3COOH"	148.962264
"1378286"	242.078324	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H-2H2O"	-35.012676
"1387761"	260.0883	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H-H2O"	-17.0027
"285623"	555.189276	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+H"	1.007276
"683151"	832.280276	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+H"	1.007276
"1356219"	278.098276	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H"	1.007276
"140416"	278.098276	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+2H"	2.014552
"581325"	416.643776	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+2H"	2.014552
"1051699"	139.552776	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2H"	2.014552
"217773"	185.734609333333	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+3H"	3.021828
"658064"	278.098276	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+3H"	3.021828
"1168533"	93.3709426666667	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+3H"	3.021828
"432900"	572.215823	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+NH4"	18.033823
"788432"	849.306823	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+NH4"	18.033823
"1684765"	295.124823	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+NH4"	18.033823
"341792"	286.6115495	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+H+NH4"	19.041099
"732026"	425.1570495	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+H+NH4"	19.041099
"1485845"	148.0660495	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H+NH4"	19.041099
"396869"	577.171218	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+Na"	22.989218
"764425"	854.262218	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+Na"	22.989218
"1609243"	300.080218	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Na"	22.989218
"319281"	289.089247	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+H+Na"	23.996494
"717169"	427.634747	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+H+Na"	23.996494
"1469897"	150.543747	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H+Na"	23.996494
"1062049"	100.698256666667	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2H+Na"	25.00377
"1265913"	310.124486	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+CH3OH+H"	33.033486
"381208"	593.145158	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+K"	38.963158
"740379"	870.236158	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+K"	38.963158
"1544259"	316.054158	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+K"	38.963158
"301437"	297.076217	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+H+K"	39.970434
"694952"	435.621717	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+H+K"	39.970434
"1448773"	158.530717	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H+K"	39.970434
"241749"	596.215826	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+ACN+H"	42.033826
"1223212"	319.124826	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+ACN+H"	42.033826
"1206367"	160.066051	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+ACN+2H"	43.041102
"197774"	599.15316	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+2Na-H"	44.97116
"637334"	876.24416	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+2Na-H"	44.97116
"1139746"	322.06216	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2Na-H"	44.97116
"178663"	300.080218	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+2Na"	45.978436
"620046"	438.625718	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+2Na"	45.978436
"1122821"	161.534718	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2Na"	45.978436
"1406347"	108.025570666667	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H+2Na"	46.985712
"1437006"	324.103746	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H+HCOOH"	47.012746
"229616"	305.11324	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+3H2O+2H"	56.04448
"1515856"	338.15579	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+IsoProp+H"	61.06479
"413722"	308.067188	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+Na+K"	61.952376
"775811"	446.612688	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+Na+K"	61.952376
"1679437"	169.521688	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Na+K"	61.952376
"261946"	618.197768	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+ACN+Na"	64.015768
"1230283"	341.106768	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+ACN+Na"	64.015768
"1719169"	341.130293	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+NH4+HCOOH"	64.039293
"1180519"	115.352884666667	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+3Na"	68.967654
"1652599"	346.085688	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Na+HCOOH"	68.994688
"163470"	631.10104	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+2K-H"	76.91904
"597929"	908.19204	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+2K-H"	76.91904
"1085720"	354.01004	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2K-H"	76.91904
"148735"	316.054158	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"2M+2K"	77.926316
"582828"	454.599658	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"3M+2K"	77.926316
"1072808"	177.508658	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2K"	77.926316
"1108210"	356.024592	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2K+H"	78.933592
"1344594"	356.112207	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+DMSO+H"	79.021207
"1012031"	360.151376	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2ACN+H"	83.060376
"1526876"	361.145008	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+IsoProp+Na+H"	84.054008
"997697"	180.579326	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+2ACN+2H"	84.067652
"1595483"	362.059628	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+K+HCOOH"	84.968628
"1423330"	392.091138	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+H+CF3COOH"	115.000138
"1153620"	201.092601	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+3ACN+2H"	125.094202
"1709732"	409.117685	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+NH4+CF3COOH"	132.026685
"1636633"	414.07308	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+Na+CF3COOH"	136.98208
"1576659"	430.04702	"C08496"	"Lycomarasmine B;Lycomarasmine"	"C9H15N3O7"	"277.091"	"M+K+CF3COOH"	152.95602
"807025"	98.0732	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M"	0
"974799"	79.05481	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-H2O-H"	-19.01839
"64424"	64.3748573333333	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M-3H"	-3.021828
"506170"	97.065924	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M-3H"	-3.021828
"882883"	31.6837906666667	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-3H"	-3.021828
"4737"	97.065924	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M-2H"	-2.014552
"451954"	146.102524	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M-2H"	-2.014552
"827568"	48.029324	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-2H"	-2.014552
"90842"	195.139124	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M-H"	-1.007276
"529309"	293.212324	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M-H"	-1.007276
"907109"	97.065924	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-H"	-1.007276
"58206"	212.165671	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M-2H+NH4"	16.019271
"496673"	310.238871	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M-2H+NH4"	16.019271
"872288"	114.092471	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-2H+NH4"	16.019271
"40187"	217.121066	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M-2H+Na"	20.974666
"477559"	315.194266	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M-2H+Na"	20.974666
"854267"	119.047866	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-2H+Na"	20.974666
"1623803"	119.047866	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Na-2H"	20.974666
"107993"	115.054263	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M-H+Cl"	33.962126
"545364"	164.090863	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M-H+Cl"	33.962126
"936693"	66.017663	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-H+Cl"	33.962126
"270876"	231.115802	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+Cl"	34.969402
"667672"	329.189002	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+Cl"	34.969402
"1282263"	133.042602	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Cl"	34.969402
"23727"	233.095006	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M-2H+K"	36.948606
"466573"	331.168206	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M-2H+K"	36.948606
"841459"	135.021806	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-2H+K"	36.948606
"1568955"	135.021806	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+K-2H"	36.948606
"953557"	143.071394	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-H+HCOOH"	44.998194
"372501"	241.144601	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+HCOOH-H"	44.998201
"354560"	255.160251	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+Hac-H"	59.013851
"1501204"	157.087051	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Hac-H"	59.013851
"970575"	165.053351	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-H+NaCOOH"	66.980151
"120939"	133.042602	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+2Cl"	69.938804
"559408"	182.079202	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+2Cl"	69.938804
"1032946"	84.006002	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2Cl"	69.938804
"1253251"	176.992085	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Br"	78.918885
"1315702"	179.048072	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Cl+HCOOH"	80.974872
"1331377"	201.030029	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Cl+NaCOOH"	102.956829
"920977"	211.058786	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M-H+CF3COOH"	112.985586
"1298778"	247.035464	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Cl+CF3COOH"	148.962264
"1376938"	63.060524	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H-2H2O"	-35.012676
"1387871"	81.0705	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H-H2O"	-17.0027
"288648"	197.153676	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+H"	1.007276
"682162"	295.226876	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+H"	1.007276
"1357418"	99.080476	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H"	1.007276
"134687"	99.080476	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+2H"	2.014552
"568415"	148.117076	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+2H"	2.014552
"1040130"	50.043876	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2H"	2.014552
"218972"	66.3894093333333	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+3H"	3.021828
"657806"	99.080476	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+3H"	3.021828
"1176291"	33.6983426666667	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+3H"	3.021828
"439489"	214.180223	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+NH4"	18.033823
"796192"	312.253423	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+NH4"	18.033823
"1694716"	116.107023	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+NH4"	18.033823
"342993"	107.5937495	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+H+NH4"	19.041099
"735414"	156.6303495	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+H+NH4"	19.041099
"1491783"	58.5571495	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H+NH4"	19.041099
"401356"	219.135618	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+Na"	22.989218
"763445"	317.208818	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+Na"	22.989218
"1614821"	121.062418	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Na"	22.989218
"321579"	110.071447	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+H+Na"	23.996494
"715092"	159.108047	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+H+Na"	23.996494
"1468914"	61.034847	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H+Na"	23.996494
"1063252"	41.0256566666667	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2H+Na"	25.00377
"1268210"	131.106686	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+CH3OH+H"	33.033486
"385693"	235.109558	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+K"	38.963158
"741584"	333.182758	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+K"	38.963158
"1544369"	137.036358	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+K"	38.963158
"301181"	118.058417	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+H+K"	39.970434
"700529"	167.095017	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+H+K"	39.970434
"1453257"	69.021817	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H+K"	39.970434
"242952"	238.180226	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+ACN+H"	42.033826
"1221135"	140.107026	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+ACN+H"	42.033826
"1206110"	70.557151	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+ACN+2H"	43.041102
"198978"	241.11756	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+2Na-H"	44.97116
"639266"	339.19076	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+2Na-H"	44.97116
"1139858"	143.04436	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2Na-H"	44.97116
"180961"	121.062418	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+2Na"	45.978436
"619427"	170.099018	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+2Na"	45.978436
"1123664"	72.025818	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2Na"	45.978436
"1408646"	48.3529706666667	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H+2Na"	46.985712
"1440397"	145.085946	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H+HCOOH"	47.012746
"231914"	126.09544	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+3H2O+2H"	56.04448
"1519612"	159.13799	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+IsoProp+H"	61.06479
"414925"	129.049388	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+Na+K"	61.952376
"777380"	178.085988	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+Na+K"	61.952376
"1676998"	80.012788	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Na+K"	61.952376
"259874"	260.162168	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+ACN+Na"	64.015768
"1230396"	162.088968	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+ACN+Na"	64.015768
"1718189"	162.112493	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+NH4+HCOOH"	64.039293
"1180265"	55.6802846666667	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+3Na"	68.967654
"1652345"	167.067888	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Na+HCOOH"	68.994688
"158475"	273.06544	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+2K-H"	76.91904
"598038"	371.13864	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+2K-H"	76.91904
"1085467"	174.99224	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2K-H"	76.91904
"148845"	137.036358	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"2M+2K"	77.926316
"582933"	186.072958	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"3M+2K"	77.926316
"1071091"	87.999758	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2K"	77.926316
"1106133"	177.006792	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2K+H"	78.933592
"1340329"	177.094407	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+DMSO+H"	79.021207
"1008129"	181.133576	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2ACN+H"	83.060376
"1534641"	182.127208	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+IsoProp+Na+H"	84.054008
"997808"	91.070426	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+2ACN+2H"	84.067652
"1596687"	183.041828	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+K+HCOOH"	84.968628
"1423441"	213.073338	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+H+CF3COOH"	115.000138
"1153730"	111.583701	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+3ACN+2H"	125.094202
"1709842"	230.099885	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+NH4+CF3COOH"	132.026685
"1636743"	235.05528	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+Na+CF3COOH"	136.98208
"1583330"	251.02922	"C08497"	"(E)-2-Hexenal;trans-2-Hexenal;Leaf aldehyde"	"C6H10O"	"98.0732"	"M+K+CF3COOH"	152.95602
"802151"	168.115	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M"	0
"977385"	149.09661	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"64169"	111.069390666667	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"507374"	167.107724	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"886273"	55.0310573333333	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"3754"	167.107724	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"448781"	251.165224	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"827677"	83.050224	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"92774"	335.222724	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"530512"	503.337724	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"905033"	167.107724	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"60503"	352.249271	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"500063"	520.364271	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"874583"	184.134271	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"39204"	357.204666	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"477669"	525.319666	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"853283"	189.089666	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1623913"	189.089666	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"108103"	185.096063	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"544380"	269.153563	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"933522"	101.038563	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"270986"	371.199402	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"667782"	539.314402	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1284559"	203.084402	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"24930"	373.178606	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"469235"	541.293606	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"843392"	205.063606	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1570160"	205.063606	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"953666"	213.113194	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"372975"	381.228201	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"355763"	395.243851	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1500221"	227.128851	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"969957"	235.095151	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"118862"	203.084402	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"559519"	287.141902	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1031232"	119.026902	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1251539"	247.033885	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1315083"	249.089872	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1329664"	271.071829	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"920722"	281.100586	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1297794"	317.077264	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1376684"	133.102324	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1387981"	151.1123	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"285843"	337.237276	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"682272"	505.352276	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1352789"	169.122276	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H"	1.007276
"135528"	169.122276	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"567430"	253.179776	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1042061"	85.064776	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"217988"	113.083942666667	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"657910"	169.122276	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1176037"	57.0456093333333	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"437493"	354.263823	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"796302"	522.378823	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1695556"	186.148823	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"342010"	177.6355495	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"736253"	261.6930495	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1490435"	93.5780495	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"401466"	359.219218	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"764648"	527.334218	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1611651"	191.104218	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"322782"	180.113247	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"716296"	264.170747	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1470117"	96.055747	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1063362"	64.3729233333333	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1267227"	201.148486	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"386899"	375.193158	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"743517"	543.308158	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1543386"	207.078158	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+K"	38.963158
"302020"	188.100217	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"700639"	272.157717	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1450085"	104.042717	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"241966"	378.263826	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1214679"	210.148826	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1206220"	105.578051	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"194715"	381.20116	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"633181"	549.31616	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1136687"	213.08616	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"181069"	191.104218	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"620629"	275.161718	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1124136"	107.046718	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1409846"	71.7002373333333	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1439776"	215.127746	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"231657"	196.13724	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1518626"	229.17979	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"416129"	199.091188	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"778218"	283.148688	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1680388"	115.033688	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"261807"	400.245768	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1234515"	232.130768	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1720486"	232.154293	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1184747"	79.0275513333333	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1652455"	237.109688	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"158585"	413.14904	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"599973"	581.26404	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1088857"	245.03404	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"147862"	207.078158	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"585235"	291.135658	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1070838"	123.020658	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1111709"	247.048592	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1341532"	247.136207	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1010061"	251.175376	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1534750"	252.169008	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1001198"	126.091326	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1598983"	253.083628	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1425737"	283.115138	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1156026"	146.604601	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1708859"	300.141685	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1640133"	305.09708	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1580160"	321.07102	"C08498"	"Lilac aldehyde"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"802019"	138.1045	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M"	0
"976401"	119.08611	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-H2O-H"	-19.01839
"65737"	91.0623906666667	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M-3H"	-3.021828
"510763"	137.097224	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M-3H"	-3.021828
"886383"	45.0275573333333	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-3H"	-3.021828
"4957"	137.097224	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M-2H"	-2.014552
"445610"	206.149474	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M-2H"	-2.014552
"825600"	68.044974	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-2H"	-2.014552
"87781"	275.201724	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M-H"	-1.007276
"530622"	413.306224	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M-H"	-1.007276
"905143"	137.097224	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-H"	-1.007276
"59520"	292.228271	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M-2H+NH4"	16.019271
"496892"	430.332771	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M-2H+NH4"	16.019271
"874694"	154.123771	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-2H+NH4"	16.019271
"40408"	297.183666	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M-2H+Na"	20.974666
"479967"	435.288166	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M-2H+Na"	20.974666
"857765"	159.079166	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-2H+Na"	20.974666
"1622927"	159.079166	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Na-2H"	20.974666
"107485"	155.085563	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M-H+Cl"	33.962126
"542303"	224.137813	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M-H+Cl"	33.962126
"933632"	86.033313	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-H+Cl"	33.962126
"271096"	311.178402	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+Cl"	34.969402
"664612"	449.282902	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+Cl"	34.969402
"1281389"	173.073902	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Cl"	34.969402
"21760"	313.157606	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M-2H+K"	36.948606
"468980"	451.262106	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M-2H+K"	36.948606
"840585"	175.053106	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-2H+K"	36.948606
"1569905"	175.053106	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+K-2H"	36.948606
"952683"	183.102694	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-H+HCOOH"	44.998194
"369804"	321.207201	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+HCOOH-H"	44.998201
"353686"	335.222851	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+Hac-H"	59.013851
"1500331"	197.118351	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Hac-H"	59.013851
"970432"	205.084651	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-H+NaCOOH"	66.980151
"121888"	173.073902	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+2Cl"	69.938804
"560720"	242.126152	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+2Cl"	69.938804
"1031706"	104.021652	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2Cl"	69.938804
"1252745"	217.023385	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Br"	78.918885
"1314464"	219.079372	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Cl+HCOOH"	80.974872
"1330867"	241.061329	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Cl+NaCOOH"	102.956829
"922290"	251.090086	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M-H+CF3COOH"	112.985586
"1297905"	287.066764	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Cl+CF3COOH"	148.962264
"1376794"	103.091824	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H-2H2O"	-35.012676
"1391371"	121.1018	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H-H2O"	-17.0027
"286683"	277.216276	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+H"	1.007276
"682382"	415.320776	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+H"	1.007276
"1352899"	139.111776	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H"	1.007276
"131626"	139.111776	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+2H"	2.014552
"567905"	208.164026	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+2H"	2.014552
"1038525"	70.059526	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2H"	2.014552
"218097"	93.0769426666667	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+3H"	3.021828
"651823"	139.111776	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+3H"	3.021828
"1165574"	47.0421093333333	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+3H"	3.021828
"438693"	294.242823	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+NH4"	18.033823
"796412"	432.347323	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+NH4"	18.033823
"1691657"	156.138323	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+NH4"	18.033823
"342119"	147.6250495	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+H+NH4"	19.041099
"735633"	216.6772995	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+H+NH4"	19.041099
"1489452"	78.5727995	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H+NH4"	19.041099
"403761"	299.198218	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+Na"	22.989218
"763665"	437.302718	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+Na"	22.989218
"1611761"	161.093718	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Na"	22.989218
"322892"	150.102747	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+H+Na"	23.996494
"716406"	219.154997	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+H+Na"	23.996494
"1472413"	81.050497	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H+Na"	23.996494
"1063472"	54.3694233333333	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2H+Na"	25.00377
"1267337"	171.137986	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+CH3OH+H"	33.033486
"387010"	315.172158	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+K"	38.963158
"744725"	453.276658	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+K"	38.963158
"1542404"	177.067658	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+K"	38.963158
"302129"	158.089717	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+H+K"	39.970434
"697469"	227.141967	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+H+K"	39.970434
"1450195"	89.037467	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H+K"	39.970434
"242076"	318.242826	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+ACN+H"	42.033826
"1216976"	180.138326	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+ACN+H"	42.033826
"1207059"	90.572801	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+ACN+2H"	43.041102
"198106"	321.18016	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+2Na-H"	44.97116
"636573"	459.28466	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+2Na-H"	44.97116
"1138984"	183.07566	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2Na-H"	44.97116
"180087"	161.093718	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+2Na"	45.978436
"620740"	230.145968	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+2Na"	45.978436
"1124246"	92.041468	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2Na"	45.978436
"1409957"	61.6967373333333	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H+2Na"	46.985712
"1442439"	185.117246	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H+HCOOH"	47.012746
"231040"	166.12674	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+3H2O+2H"	56.04448
"1516550"	199.16929	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+IsoProp+H"	61.06479
"418791"	169.080688	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+Na+K"	61.952376
"778328"	238.132938	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+Na+K"	61.952376
"1680908"	100.028438	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Na+K"	61.952376
"264833"	340.224768	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+ACN+Na"	64.015768
"1237541"	202.120268	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+ACN+Na"	64.015768
"1723876"	202.143793	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+NH4+HCOOH"	64.039293
"1188137"	69.0240513333333	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+3Na"	68.967654
"1658027"	207.099188	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Na+HCOOH"	68.994688
"159060"	353.12804	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+2K-H"	76.91904
"600082"	491.23254	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+2K-H"	76.91904
"1087874"	215.02354	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2K-H"	76.91904
"150158"	177.067658	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"2M+2K"	77.926316
"582912"	246.119908	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"3M+2K"	77.926316
"1072043"	108.015408	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2K"	77.926316
"1103067"	217.038092	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2K+H"	78.933592
"1346015"	217.125707	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+DMSO+H"	79.021207
"1010171"	221.164876	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2ACN+H"	83.060376
"1534860"	222.158508	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+IsoProp+Na+H"	84.054008
"1000216"	111.086076	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+2ACN+2H"	84.067652
"1598000"	223.073128	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+K+HCOOH"	84.968628
"1424754"	253.104638	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+H+CF3COOH"	115.000138
"1155043"	131.599351	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+3ACN+2H"	125.094202
"1706782"	270.131185	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+NH4+CF3COOH"	132.026685
"1636963"	275.08658	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+Na+CF3COOH"	136.98208
"1580270"	291.06052	"C08499"	"Nona-26-dienal;26-Nonadienal (2E6Z)-"	"C9H14O"	"138.1045"	"M+K+CF3COOH"	152.95602
"801463"	156.115	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M"	0
"984165"	137.09661	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-H2O-H"	-19.01839
"68034"	103.069390666667	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M-3H"	-3.021828
"516342"	155.107724	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M-3H"	-3.021828
"882119"	51.0310573333333	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-3H"	-3.021828
"5065"	155.107724	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M-2H"	-2.014552
"447906"	233.165224	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M-2H"	-2.014552
"827897"	77.050224	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-2H"	-2.014552
"90080"	311.222724	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M-H"	-1.007276
"529640"	467.337724	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M-H"	-1.007276
"907442"	155.107724	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-H"	-1.007276
"57444"	328.249271	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M-2H+NH4"	16.019271
"497002"	484.364271	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M-2H+NH4"	16.019271
"875898"	172.134271	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-2H+NH4"	16.019271
"44530"	333.204666	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M-2H+Na"	20.974666
"477890"	489.319666	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M-2H+Na"	20.974666
"852773"	177.089666	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-2H+Na"	20.974666
"1619758"	177.089666	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Na-2H"	20.974666
"106866"	173.096063	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M-H+Cl"	33.962126
"543507"	251.153563	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M-H+Cl"	33.962126
"933741"	95.038563	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-H+Cl"	33.962126
"276673"	347.199402	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+Cl"	34.969402
"668002"	503.314402	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+Cl"	34.969402
"1283686"	191.084402	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Cl"	34.969402
"21869"	349.178606	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M-2H+K"	36.948606
"466899"	505.293606	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M-2H+K"	36.948606
"843611"	193.063606	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-2H+K"	36.948606
"1569286"	193.063606	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+K-2H"	36.948606
"952793"	201.113194	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-H+HCOOH"	44.998194
"371007"	357.228201	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+HCOOH-H"	44.998201
"355983"	371.243851	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+Hac-H"	59.013851
"1500441"	215.128851	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Hac-H"	59.013851
"962512"	223.095151	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-H+NaCOOH"	66.980151
"122362"	191.084402	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+2Cl"	69.938804
"561923"	269.141902	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+2Cl"	69.938804
"1029634"	113.026902	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2Cl"	69.938804
"1254677"	235.033885	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Br"	78.918885
"1317120"	237.089872	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Cl+HCOOH"	80.974872
"1330242"	259.071829	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Cl+NaCOOH"	102.956829
"924222"	269.100586	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M-H+CF3COOH"	112.985586
"1301296"	305.077264	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Cl+CF3COOH"	148.962264
"1380912"	121.102324	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H-2H2O"	-35.012676
"1391481"	139.1123	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H-H2O"	-17.0027
"286063"	313.237276	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+H"	1.007276
"682492"	469.352276	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+H"	1.007276
"1353009"	157.122276	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H"	1.007276
"131736"	157.122276	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+2H"	2.014552
"570201"	235.179776	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+2H"	2.014552
"1041186"	79.064776	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2H"	2.014552
"217844"	105.083942666667	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+3H"	3.021828
"651933"	157.122276	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+3H"	3.021828
"1168963"	53.0456093333333	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+3H"	3.021828
"438437"	330.263823	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+NH4"	18.033823
"795429"	486.378823	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+NH4"	18.033823
"1693224"	174.148823	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+NH4"	18.033823
"341136"	165.6355495	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+H+NH4"	19.041099
"735381"	243.6930495	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+H+NH4"	19.041099
"1491384"	87.5780495	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H+NH4"	19.041099
"403871"	335.219218	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+Na"	22.989218
"763773"	491.334218	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+Na"	22.989218
"1610776"	179.104218	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Na"	22.989218
"320814"	168.113247	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+H+Na"	23.996494
"716152"	246.170747	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+H+Na"	23.996494
"1471795"	90.055747	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H+Na"	23.996494
"1065041"	60.3729233333333	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2H+Na"	25.00377
"1267447"	189.148486	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+CH3OH+H"	33.033486
"387119"	351.193158	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+K"	38.963158
"747023"	507.308158	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+K"	38.963158
"1543608"	195.078158	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+K"	38.963158
"301877"	176.100217	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+H+K"	39.970434
"697579"	254.157717	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+H+K"	39.970434
"1449214"	98.042717	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H+K"	39.970434
"241093"	354.263826	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+ACN+H"	42.033826
"1214899"	198.148826	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+ACN+H"	42.033826
"1206439"	99.578051	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+ACN+2H"	43.041102
"198216"	357.20116	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+2Na-H"	44.97116
"637775"	513.31616	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+2Na-H"	44.97116
"1139095"	201.08616	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2Na-H"	44.97116
"176917"	179.104218	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+2Na"	45.978436
"619758"	257.161718	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+2Na"	45.978436
"1124356"	101.046718	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2Na"	45.978436
"1407516"	67.7002373333333	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H+2Na"	46.985712
"1437445"	203.127746	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H+HCOOH"	47.012746
"229688"	184.13724	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+3H2O+2H"	56.04448
"1513381"	217.17979	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+IsoProp+H"	61.06479
"420724"	187.091188	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+Na+K"	61.952376
"780260"	265.148688	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+Na+K"	61.952376
"1675868"	109.033688	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Na+K"	61.952376
"264579"	376.245768	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+ACN+Na"	64.015768
"1239476"	220.130768	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+ACN+Na"	64.015768
"1721800"	220.154293	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+NH4+HCOOH"	64.039293
"1188247"	75.0275513333333	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+3Na"	68.967654
"1658137"	225.109688	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Na+HCOOH"	68.994688
"170466"	389.14904	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+2K-H"	76.91904
"604565"	545.26404	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+2K-H"	76.91904
"1087985"	233.03404	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2K-H"	76.91904
"152456"	195.078158	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"2M+2K"	77.926316
"588736"	273.135658	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"3M+2K"	77.926316
"1078715"	117.020658	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2K"	77.926316
"1107552"	235.048592	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2K+H"	78.933592
"1343939"	235.136207	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+DMSO+H"	79.021207
"1014655"	239.175376	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2ACN+H"	83.060376
"1537887"	240.169008	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+IsoProp+Na+H"	84.054008
"1002512"	120.091326	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+2ACN+2H"	84.067652
"1599204"	241.083628	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+K+HCOOH"	84.968628
"1427780"	271.115138	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+H+CF3COOH"	115.000138
"1156246"	140.604601	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+3ACN+2H"	125.094202
"1704703"	288.141685	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+NH4+CF3COOH"	132.026685
"1637073"	293.09708	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+Na+CF3COOH"	136.98208
"1580380"	309.07102	"C08501"	"gamma-Nonalactone;delta-n-Amylbutyrolactone;Dihydro-5-pentyl-2(3H)-furanone"	"C9H16O2"	"156.115"	"M+K+CF3COOH"	152.95602
"801832"	112.0524	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M"	0
"980995"	93.03401	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-H2O-H"	-19.01839
"68143"	73.694324	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M-3H"	-3.021828
"507702"	111.045124	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M-3H"	-3.021828
"880129"	36.343524	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-3H"	-3.021828
"2989"	111.045124	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M-2H"	-2.014552
"444735"	167.071324	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M-2H"	-2.014552
"823630"	55.018924	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-2H"	-2.014552
"86906"	223.097524	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M-H"	-1.007276
"527562"	335.149924	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M-H"	-1.007276
"906455"	111.045124	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-H"	-1.007276
"48803"	240.124071	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M-2H+NH4"	16.019271
"491644"	352.176471	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M-2H+NH4"	16.019271
"869446"	128.071671	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-2H+NH4"	16.019271
"32244"	245.079466	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M-2H+Na"	20.974666
"474719"	357.131866	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M-2H+Na"	20.974666
"851423"	133.027066	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-2H+Na"	20.974666
"1619868"	133.027066	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Na-2H"	20.974666
"99682"	129.033463	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M-H+Cl"	33.962126
"540335"	185.059663	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M-H+Cl"	33.962126
"933851"	73.007263	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-H+Cl"	33.962126
"276783"	259.074202	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+Cl"	34.969402
"668112"	371.126602	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+Cl"	34.969402
"1282702"	147.021802	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Cl"	34.969402
"21979"	261.053406	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M-2H+K"	36.948606
"461541"	373.105806	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M-2H+K"	36.948606
"837161"	149.001006	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-2H+K"	36.948606
"1559553"	149.001006	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+K-2H"	36.948606
"948528"	157.050594	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-H+HCOOH"	44.998194
"366014"	269.103001	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+HCOOH-H"	44.998201
"353905"	283.118651	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+Hac-H"	59.013851
"1497269"	171.066251	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Hac-H"	59.013851
"962622"	179.032551	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-H+NaCOOH"	66.980151
"122471"	147.021802	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+2Cl"	69.938804
"562761"	203.048002	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+2Cl"	69.938804
"1034477"	90.995602	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2Cl"	69.938804
"1252595"	190.971285	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Br"	78.918885
"1312855"	193.027272	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Cl+HCOOH"	80.974872
"1329259"	215.009229	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Cl+NaCOOH"	102.956829
"923599"	225.037986	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M-H+CF3COOH"	112.985586
"1302862"	261.014664	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Cl+CF3COOH"	148.962264
"1378469"	77.039724	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H-2H2O"	-35.012676
"1391591"	95.0497	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H-H2O"	-17.0027
"286902"	225.112076	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+H"	1.007276
"681509"	337.164476	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+H"	1.007276
"1352876"	113.059676	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H"	1.007276
"131846"	113.059676	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+2H"	2.014552
"568124"	169.085876	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+2H"	2.014552
"1038743"	57.033476	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2H"	2.014552
"217589"	75.708876	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+3H"	3.021828
"652043"	113.059676	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+3H"	3.021828
"1169073"	38.358076	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+3H"	3.021828
"437454"	242.138623	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+NH4"	18.033823
"793353"	354.191023	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+NH4"	18.033823
"1694061"	130.086223	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+NH4"	18.033823
"342340"	121.5729495	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+H+NH4"	19.041099
"735490"	177.5991495	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+H+NH4"	19.041099
"1491009"	65.5467495	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H+NH4"	19.041099
"403981"	247.094018	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+Na"	22.989218
"761697"	359.146418	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+Na"	22.989218
"1610886"	135.041618	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Na"	22.989218
"320924"	124.050647	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+H+Na"	23.996494
"715169"	180.076847	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+H+Na"	23.996494
"1469353"	68.024447	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H+Na"	23.996494
"1060411"	45.68539	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2H+Na"	25.00377
"1260995"	145.085886	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+CH3OH+H"	33.033486
"386135"	263.067958	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+K"	38.963158
"749317"	375.120358	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+K"	38.963158
"1541530"	151.015558	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+K"	38.963158
"299800"	132.037617	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+H+K"	39.970434
"694409"	188.063817	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+H+K"	39.970434
"1447502"	76.011417	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H+K"	39.970434
"237195"	266.138626	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+ACN+H"	42.033826
"1215010"	154.086226	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+ACN+H"	42.033826
"1201082"	77.546751	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+ACN+2H"	43.041102
"193953"	269.07596	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+2Na-H"	44.97116
"633512"	381.12836	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+2Na-H"	44.97116
"1134832"	157.02356	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2Na-H"	44.97116
"174962"	135.041618	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+2Na"	45.978436
"617681"	191.067818	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+2Na"	45.978436
"1121186"	79.015418	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2Na"	45.978436
"1406533"	53.012704	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H+2Na"	46.985712
"1435732"	159.065146	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H+HCOOH"	47.012746
"224332"	140.07464	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+3H2O+2H"	56.04448
"1513491"	173.11719	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+IsoProp+H"	61.06479
"419011"	143.028588	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+Na+K"	61.952376
"775267"	199.054788	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+Na+K"	61.952376
"1673790"	87.002388	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Na+K"	61.952376
"262502"	288.120568	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+ACN+Na"	64.015768
"1238127"	176.068168	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+ACN+Na"	64.015768
"1721910"	176.091693	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+NH4+HCOOH"	64.039293
"1186170"	60.340018	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+3Na"	68.967654
"1656061"	181.047088	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Na+HCOOH"	68.994688
"166202"	301.02384	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+2K-H"	76.91904
"607950"	413.07624	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+2K-H"	76.91904
"1089187"	188.97144	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2K-H"	76.91904
"148192"	151.015558	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"2M+2K"	77.926316
"583379"	207.041758	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"3M+2K"	77.926316
"1075545"	94.989358	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2K"	77.926316
"1102557"	190.985992	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2K+H"	78.933592
"1341863"	191.073607	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+DMSO+H"	79.021207
"1012580"	195.112776	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2ACN+H"	83.060376
"1532894"	196.106408	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+IsoProp+Na+H"	84.054008
"998248"	98.060026	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+2ACN+2H"	84.067652
"1600407"	197.021028	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+K+HCOOH"	84.968628
"1428983"	227.052538	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+H+CF3COOH"	115.000138
"1156356"	118.573301	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+3ACN+2H"	125.094202
"1702626"	244.079085	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+NH4+CF3COOH"	132.026685
"1637183"	249.03448	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+Na+CF3COOH"	136.98208
"1580490"	265.00842	"C08502"	"Parasorbic acid"	"C6H8O2"	"112.0524"	"M+K+CF3COOH"	152.95602
"805388"	338.1729	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M"	0
"984386"	319.15451	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-H2O-H"	-19.01839
"68254"	224.441324	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M-3H"	-3.021828
"511093"	337.165624	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M-3H"	-3.021828
"881243"	111.717024	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-3H"	-3.021828
"2005"	337.165624	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M-2H"	-2.014552
"445938"	506.252074	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M-2H"	-2.014552
"828116"	168.079174	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-2H"	-2.014552
"87014"	675.338524	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M-H"	-1.007276
"528765"	1013.511424	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M-H"	-1.007276
"906565"	337.165624	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-H"	-1.007276
"51100"	692.365071	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M-2H+NH4"	16.019271
"491754"	1030.537971	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M-2H+NH4"	16.019271
"870650"	354.192171	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-2H+NH4"	16.019271
"33811"	697.320466	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M-2H+Na"	20.974666
"474099"	1035.493366	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M-2H+Na"	20.974666
"851534"	359.147566	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-2H+Na"	20.974666
"1619977"	359.147566	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Na-2H"	20.974666
"97605"	355.153963	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M-H+Cl"	33.962126
"538258"	524.240413	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M-H+Cl"	33.962126
"933961"	186.067513	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-H+Cl"	33.962126
"277986"	711.315202	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+Cl"	34.969402
"671502"	1049.488102	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+Cl"	34.969402
"1284634"	373.142302	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Cl"	34.969402
"25369"	713.294406	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M-2H+K"	36.948606
"462744"	1051.467306	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M-2H+K"	36.948606
"836177"	375.121506	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-2H+K"	36.948606
"1558570"	375.121506	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+K-2H"	36.948606
"951918"	383.171094	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-H+HCOOH"	44.998194
"367217"	721.344001	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+HCOOH-H"	44.998201
"355109"	735.359651	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+Hac-H"	59.013851
"1496284"	397.186751	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Hac-H"	59.013851
"962367"	405.153051	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-H+NaCOOH"	66.980151
"119300"	373.142302	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+2Cl"	69.938804
"562141"	542.228752	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+2Cl"	69.938804
"1035316"	204.055852	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2Cl"	69.938804
"1254893"	417.091785	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Br"	78.918885
"1312965"	419.147772	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Cl+HCOOH"	80.974872
"1329369"	441.129729	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Cl+NaCOOH"	102.956829
"924802"	451.158486	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M-H+CF3COOH"	112.985586
"1303700"	487.135164	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Cl+CF3COOH"	148.962264
"1378579"	303.160224	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H-2H2O"	-35.012676
"1390608"	321.1702	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H-H2O"	-17.0027
"288105"	677.353076	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+H"	1.007276
"682713"	1015.525976	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+H"	1.007276
"1359062"	339.180176	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H"	1.007276
"131956"	339.180176	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+2H"	2.014552
"568598"	508.266626	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+2H"	2.014552
"1040313"	170.093726	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2H"	2.014552
"207124"	226.455876	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+3H"	3.021828
"649967"	339.180176	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+3H"	3.021828
"1166996"	113.731576	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+3H"	3.021828
"436106"	694.379623	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+NH4"	18.033823
"794556"	1032.552523	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+NH4"	18.033823
"1695264"	356.206723	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+NH4"	18.033823
"342451"	347.6934495	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+H+NH4"	19.041099
"734874"	516.7798995	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+H+NH4"	19.041099
"1491972"	178.6069995	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H+NH4"	19.041099
"402998"	699.335018	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+Na"	22.989218
"763993"	1037.507918	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+Na"	22.989218
"1610996"	361.162118	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Na"	22.989218
"319211"	350.171147	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+H+Na"	23.996494
"713456"	519.257597	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+H+Na"	23.996494
"1470556"	181.084697	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H+Na"	23.996494
"1061614"	121.05889	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2H+Na"	25.00377
"1261104"	371.206386	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+CH3OH+H"	33.033486
"386245"	715.308958	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+K"	38.963158
"747240"	1053.481858	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+K"	38.963158
"1541642"	377.136058	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+K"	38.963158
"305379"	358.158117	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+H+K"	39.970434
"699987"	527.244567	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+H+K"	39.970434
"1451621"	189.071667	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H+K"	39.970434
"242409"	718.379626	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+ACN+H"	42.033826
"1216215"	380.206726	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+ACN+H"	42.033826
"1202286"	190.607001	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+ACN+2H"	43.041102
"196250"	721.31696	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+2Na-H"	44.97116
"636903"	1059.48986	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+2Na-H"	44.97116
"1137128"	383.14406	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2Na-H"	44.97116
"176045"	361.162118	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+2Na"	45.978436
"617790"	530.248568	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+2Na"	45.978436
"1121297"	192.075668	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2Na"	45.978436
"1407007"	128.386204	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H+2Na"	46.985712
"1436936"	385.185646	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H+HCOOH"	47.012746
"225535"	366.19514	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+3H2O+2H"	56.04448
"1516881"	399.23769	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+IsoProp+H"	61.06479
"418756"	369.149088	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+Na+K"	61.952376
"775376"	538.235538	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+Na+K"	61.952376
"1672807"	200.062638	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Na+K"	61.952376
"265164"	740.361568	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+ACN+Na"	64.015768
"1240669"	402.188668	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+ACN+Na"	64.015768
"1724572"	402.212193	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+NH4+HCOOH"	64.039293
"1188467"	135.713518	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+3Na"	68.967654
"1661639"	407.167588	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Na+HCOOH"	68.994688
"164126"	753.26484	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+2K-H"	76.91904
"601501"	1091.43774	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+2K-H"	76.91904
"1093668"	415.09194	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2K-H"	76.91904
"146112"	377.136058	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"2M+2K"	77.926316
"582760"	546.222508	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"3M+2K"	77.926316
"1071283"	208.049608	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2K"	77.926316
"1100846"	417.106492	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2K+H"	78.933592
"1339784"	417.194107	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+DMSO+H"	79.021207
"1006608"	421.233276	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2ACN+H"	83.060376
"1528627"	422.226908	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+IsoProp+Na+H"	84.054008
"999451"	211.120276	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+2ACN+2H"	84.067652
"1598330"	423.141528	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+K+HCOOH"	84.968628
"1428365"	453.173038	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+H+CF3COOH"	115.000138
"1157557"	231.633551	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+3ACN+2H"	125.094202
"1707111"	470.199585	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+NH4+CF3COOH"	132.026685
"1641668"	475.15498	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+Na+CF3COOH"	136.98208
"1580600"	491.12892	"C08503"	"Pinolidoxin"	"C18H26O6"	"338.1729"	"M+K+CF3COOH"	152.95602
"807685"	384.138	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M"	0
"981216"	365.11961	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-H2O-H"	-19.01839
"74926"	255.084724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M-3H"	-3.021828
"513392"	383.130724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M-3H"	-3.021828
"883540"	127.038724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-3H"	-3.021828
"4303"	383.130724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M-2H"	-2.014552
"449332"	575.199724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M-2H"	-2.014552
"827133"	191.061724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-2H"	-2.014552
"88219"	767.268724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M-H"	-1.007276
"531060"	1151.406724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M-H"	-1.007276
"906676"	383.130724	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-H"	-1.007276
"59955"	784.295271	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M-2H+NH4"	16.019271
"497331"	1168.433271	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M-2H+NH4"	16.019271
"868572"	400.157271	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-2H+NH4"	16.019271
"37564"	789.250666	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M-2H+Na"	20.974666
"476030"	1173.388666	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M-2H+Na"	20.974666
"852737"	405.112666	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-2H+Na"	20.974666
"1619355"	405.112666	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Na-2H"	20.974666
"103182"	401.119063	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M-H+Cl"	33.962126
"541648"	593.188063	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M-H+Cl"	33.962126
"928967"	209.050063	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-H+Cl"	33.962126
"274816"	803.245402	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+Cl"	34.969402
"671612"	1187.383402	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+Cl"	34.969402
"1286203"	419.107402	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Cl"	34.969402
"25479"	805.224606	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M-2H+K"	36.948606
"467228"	1189.362606	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M-2H+K"	36.948606
"837381"	421.086606	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-2H+K"	36.948606
"1564148"	421.086606	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+K-2H"	36.948606
"955308"	429.136194	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-H+HCOOH"	44.998194
"368057"	813.274201	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+HCOOH-H"	44.998201
"356312"	827.289851	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+Hac-H"	59.013851
"1497489"	443.151851	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Hac-H"	59.013851
"962477"	451.118151	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-H+NaCOOH"	66.980151
"118317"	419.107402	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+2Cl"	69.938804
"561161"	611.176402	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+2Cl"	69.938804
"1032511"	227.038402	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2Cl"	69.938804
"1253909"	463.056885	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Br"	78.918885
"1315263"	465.112872	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Cl+HCOOH"	80.974872
"1331665"	487.094829	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Cl+NaCOOH"	102.956829
"924912"	497.123586	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M-H+CF3COOH"	112.985586
"1293965"	533.100264	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Cl+CF3COOH"	148.962264
"1375406"	349.125324	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H-2H2O"	-35.012676
"1389620"	367.1353	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H-H2O"	-17.0027
"285661"	769.283276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+H"	1.007276
"685007"	1153.421276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+H"	1.007276
"1356981"	385.145276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H"	1.007276
"128784"	385.145276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+2H"	2.014552
"566885"	577.214276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+2H"	2.014552
"1037625"	193.076276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2H"	2.014552
"207233"	257.099276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+3H"	3.021828
"648983"	385.145276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+3H"	3.021828
"1166377"	129.053276	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+3H"	3.021828
"430382"	786.309823	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+NH4"	18.033823
"796853"	1170.447823	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+NH4"	18.033823
"1696103"	402.171823	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+NH4"	18.033823
"342562"	393.6585495	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+H+NH4"	19.041099
"734983"	585.7275495	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+H+NH4"	19.041099
"1491717"	201.5895495	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H+NH4"	19.041099
"402014"	791.265218	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+Na"	22.989218
"763009"	1175.403218	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+Na"	22.989218
"1611105"	407.127218	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Na"	22.989218
"319321"	396.136247	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+H+Na"	23.996494
"717940"	588.205247	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+H+Na"	23.996494
"1473948"	204.067247	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H+Na"	23.996494
"1062817"	136.38059	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2H+Na"	25.00377
"1260121"	417.171486	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+CH3OH+H"	33.033486
"385263"	807.239158	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+K"	38.963158
"747350"	1191.377158	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+K"	38.963158
"1547222"	423.101158	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+K"	38.963158
"306584"	404.123217	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+H+K"	39.970434
"700099"	596.192217	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+H+K"	39.970434
"1455013"	212.054217	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H+K"	39.970434
"242523"	810.309826	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+ACN+H"	42.033826
"1213047"	426.171826	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+ACN+H"	42.033826
"1196930"	213.589551	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+ACN+2H"	43.041102
"191987"	813.24716	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+2Na-H"	44.97116
"634827"	1197.38516	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+2Na-H"	44.97116
"1138331"	429.10916	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2Na-H"	44.97116
"178341"	407.127218	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+2Na"	45.978436
"618993"	599.196218	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+2Na"	45.978436
"1121407"	215.058218	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2Na"	45.978436
"1407118"	143.707904	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H+2Na"	46.985712
"1441058"	431.150746	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H+HCOOH"	47.012746
"230022"	412.16024	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+3H2O+2H"	56.04448
"1511525"	445.20279	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+IsoProp+H"	61.06479
"411213"	415.114188	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+Na+K"	61.952376
"773299"	607.183188	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+Na+K"	61.952376
"1678386"	223.045188	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Na+K"	61.952376
"265638"	832.291768	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+ACN+Na"	64.015768
"1239440"	448.153768	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+ACN+Na"	64.015768
"1725411"	448.177293	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+NH4+HCOOH"	64.039293
"1192954"	151.035218	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+3Na"	68.967654
"1656283"	453.132688	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Na+HCOOH"	68.994688
"166426"	845.19504	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+2K-H"	76.91904
"608173"	1229.33304	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+2K-H"	76.91904
"1095965"	461.05704	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2K-H"	76.91904
"147311"	423.101158	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"2M+2K"	77.926316
"583593"	615.170158	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"3M+2K"	77.926316
"1070298"	231.032158	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2K"	77.926316
"1102414"	463.071592	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2K+H"	78.933592
"1338799"	463.159207	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+DMSO+H"	79.021207
"1006600"	467.198376	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2ACN+H"	83.060376
"1525577"	468.192008	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+IsoProp+Na+H"	84.054008
"990934"	234.102826	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+2ACN+2H"	84.067652
"1599533"	469.106628	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+K+HCOOH"	84.968628
"1427379"	499.138138	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+H+CF3COOH"	115.000138
"1157667"	254.616101	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+3ACN+2H"	125.094202
"1707221"	516.164685	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+NH4+CF3COOH"	132.026685
"1643965"	521.12008	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+Na+CF3COOH"	136.98208
"1580710"	537.09402	"C08504"	"Macrozamin"	"C13H24N2O11"	"384.138"	"M+K+CF3COOH"	152.95602
"807796"	638.4758	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M"	0
"979137"	619.45741	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-H2O-H"	-19.01839
"68475"	424.643257333333	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M-3H"	-3.021828
"517754"	637.468524	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M-3H"	-3.021828
"881828"	211.817990666667	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-3H"	-3.021828
"7693"	637.468524	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M-2H"	-2.014552
"451627"	956.706424	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M-2H"	-2.014552
"826149"	318.230624	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-2H"	-2.014552
"90517"	1275.944324	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M-H"	-1.007276
"525706"	1914.420124	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M-H"	-1.007276
"907880"	637.468524	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-H"	-1.007276
"60069"	1292.970871	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M-2H+NH4"	16.019271
"495257"	1931.446671	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M-2H+NH4"	16.019271
"873057"	654.495071	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-2H+NH4"	16.019271
"40956"	1297.926266	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M-2H+Na"	20.974666
"478328"	1936.402066	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M-2H+Na"	20.974666
"855036"	659.450466	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-2H+Na"	20.974666
"1621291"	659.450466	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Na-2H"	20.974666
"103292"	655.456863	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M-H+Cl"	33.962126
"546134"	974.694763	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M-H+Cl"	33.962126
"938559"	336.218963	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-H+Cl"	33.962126
"278209"	1311.921002	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+Cl"	34.969402
"668448"	1950.396802	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+Cl"	34.969402
"1283034"	673.445202	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Cl"	34.969402
"25593"	1313.900206	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M-2H+K"	36.948606
"462970"	1952.376006	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M-2H+K"	36.948606
"838585"	675.424406	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-2H+K"	36.948606
"1563165"	675.424406	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+K-2H"	36.948606
"955056"	683.473994	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-H+HCOOH"	44.998194
"371448"	1321.949801	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+HCOOH-H"	44.998201
"357884"	1335.965451	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+Hac-H"	59.013851
"1504163"	697.489651	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Hac-H"	59.013851
"965142"	705.455951	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-H+NaCOOH"	66.980151
"120615"	673.445202	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+2Cl"	69.938804
"556897"	992.683102	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+2Cl"	69.938804
"1030073"	354.207302	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2Cl"	69.938804
"1250744"	717.394685	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Br"	78.918885
"1317199"	719.450672	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Cl+HCOOH"	80.974872
"1333599"	741.432629	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Cl+NaCOOH"	102.956829
"924661"	751.461386	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M-H+CF3COOH"	112.985586
"1302461"	787.438064	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Cl+CF3COOH"	148.962264
"1380987"	603.463124	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H-2H2O"	-35.012676
"1393744"	621.4731	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H-H2O"	-17.0027
"291605"	1277.958876	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+H"	1.007276
"685119"	1916.434676	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+H"	1.007276
"1357094"	639.483076	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H"	1.007276
"132174"	639.483076	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+2H"	2.014552
"569548"	958.720976	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+2H"	2.014552
"1039196"	320.245176	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2H"	2.014552
"208438"	426.657809333333	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+3H"	3.021828
"651280"	639.483076	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+3H"	3.021828
"1168311"	213.832542666667	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+3H"	3.021828
"430492"	1294.985423	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+NH4"	18.033823
"796963"	1933.461223	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+NH4"	18.033823
"1692207"	656.509623	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+NH4"	18.033823
"341215"	647.9963495	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+H+NH4"	19.041099
"735094"	967.2342495	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+H+NH4"	19.041099
"1490008"	328.7584495	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H+NH4"	19.041099
"404311"	1299.940818	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+Na"	22.989218
"763119"	1938.416618	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+Na"	22.989218
"1616684"	661.465018	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Na"	22.989218
"322346"	650.474047	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+H+Na"	23.996494
"716957"	969.711947	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+H+Na"	23.996494
"1474058"	331.236147	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H+Na"	23.996494
"1060741"	221.159856666667	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2H+Na"	25.00377
"1263510"	671.509286	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+CH3OH+H"	33.033486
"384279"	1315.914758	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+K"	38.963158
"745273"	1954.390558	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+K"	38.963158
"1547332"	677.438958	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+K"	38.963158
"303414"	658.461017	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+H+K"	39.970434
"702395"	977.698917	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+H+K"	39.970434
"1455123"	339.223117	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H+K"	39.970434
"244818"	1318.985426	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+ACN+H"	42.033826
"1216434"	680.509626	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+ACN+H"	42.033826
"1196310"	340.758451	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+ACN+2H"	43.041102
"193192"	1321.92276	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+2Na-H"	44.97116
"636031"	1960.39856	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+2Na-H"	44.97116
"1138444"	683.44696	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2Na-H"	44.97116
"183916"	661.465018	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+2Na"	45.978436
"622383"	980.702918	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+2Na"	45.978436
"1126982"	342.227118	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2Na"	45.978436
"1409416"	228.487170666667	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H+2Na"	46.985712
"1440437"	685.488546	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H+HCOOH"	47.012746
"233413"	666.49804	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+3H2O+2H"	56.04448
"1514915"	699.54059	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+IsoProp+H"	61.06479
"415695"	669.451988	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+Na+K"	61.952376
"775597"	988.689888	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+Na+K"	61.952376
"1676308"	350.214088	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Na+K"	61.952376
"262830"	1340.967368	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+ACN+Na"	64.015768
"1237728"	702.491568	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+ACN+Na"	64.015768
"1723335"	702.515093	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+NH4+HCOOH"	64.039293
"1192701"	235.814484666667	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+3Na"	68.967654
"1657486"	707.470488	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Na+HCOOH"	68.994688
"165442"	1353.87064	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+2K-H"	76.91904
"605003"	1992.34644	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+2K-H"	76.91904
"1097169"	715.39484	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2K-H"	76.91904
"147423"	677.438958	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"2M+2K"	77.926316
"586983"	996.676858	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"3M+2K"	77.926316
"1069917"	358.201058	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2K"	77.926316
"1102523"	717.409392	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2K+H"	78.933592
"1341095"	717.497007	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+DMSO+H"	79.021207
"1008531"	721.536176	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2ACN+H"	83.060376
"1525802"	722.529808	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+IsoProp+Na+H"	84.054008
"994198"	361.271726	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+2ACN+2H"	84.067652
"1589796"	723.444428	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+K+HCOOH"	84.968628
"1424209"	753.475938	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+H+CF3COOH"	115.000138
"1157777"	381.785001	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+3ACN+2H"	125.094202
"1701861"	770.502485	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+NH4+CF3COOH"	132.026685
"1638605"	775.45788	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+Na+CF3COOH"	136.98208
"1580820"	791.43182	"C08505"	"Purpureacin-1"	"C37H66O8"	"638.4758"	"M+K+CF3COOH"	152.95602
"814466"	266.0548	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M"	0
"984718"	247.03641	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-H2O-H"	-19.01839
"72961"	176.362590666667	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M-3H"	-3.021828
"517988"	265.047524	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M-3H"	-3.021828
"885950"	87.6776573333333	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-3H"	-3.021828
"12178"	265.047524	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M-2H"	-2.014552
"452833"	398.074924	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M-2H"	-2.014552
"829541"	132.020124	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-2H"	-2.014552
"93546"	531.102324	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M-H"	-1.007276
"530192"	797.157124	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M-H"	-1.007276
"906901"	265.047524	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-H"	-1.007276
"60908"	548.128871	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M-2H+NH4"	16.019271
"500831"	814.183671	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M-2H+NH4"	16.019271
"873165"	282.074071	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-2H+NH4"	16.019271
"39972"	553.084266	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M-2H+Na"	20.974666
"477344"	819.139066	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M-2H+Na"	20.974666
"854053"	287.029466	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-2H+Na"	20.974666
"1622494"	287.029466	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Na-2H"	20.974666
"103402"	283.035863	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M-H+Cl"	33.962126
"545153"	416.063263	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M-H+Cl"	33.962126
"939400"	150.008463	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-H+Cl"	33.962126
"279781"	567.079002	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+Cl"	34.969402
"672567"	833.133802	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+Cl"	34.969402
"1283146"	301.024202	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Cl"	34.969402
"27891"	569.058206	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M-2H+K"	36.948606
"467454"	835.113006	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M-2H+K"	36.948606
"839789"	303.003406	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-2H+K"	36.948606
"1563275"	303.003406	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+K-2H"	36.948606
"952250"	311.052994	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-H+HCOOH"	44.998194
"373381"	577.107801	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+HCOOH-H"	44.998201
"357994"	591.123451	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+Hac-H"	59.013851
"1505367"	325.068651	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Hac-H"	59.013851
"966345"	333.034951	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-H+NaCOOH"	66.980151
"122908"	301.024202	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+2Cl"	69.938804
"557001"	434.051602	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+2Cl"	69.938804
"1033094"	167.996802	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2Cl"	69.938804
"1251948"	344.973685	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Br"	78.918885
"1318404"	347.029672	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Cl+HCOOH"	80.974872
"1332616"	369.011629	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Cl+NaCOOH"	102.956829
"926637"	379.040386	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M-H+CF3COOH"	112.985586
"1301113"	415.017064	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Cl+CF3COOH"	148.962264
"1381097"	231.042124	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H-2H2O"	-35.012676
"1395677"	249.0521	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H-H2O"	-17.0027
"290622"	533.116876	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+H"	1.007276
"685230"	799.171676	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+H"	1.007276
"1357204"	267.062076	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H"	1.007276
"131192"	267.062076	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+2H"	2.014552
"569659"	400.089476	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+2H"	2.014552
"1039185"	134.034676	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2H"	2.014552
"214015"	178.377142666667	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+3H"	3.021828
"651390"	267.062076	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+3H"	3.021828
"1169514"	89.6922093333333	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+3H"	3.021828
"431695"	550.143423	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+NH4"	18.033823
"798896"	816.198223	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+NH4"	18.033823
"1695232"	284.088623	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+NH4"	18.033823
"340597"	275.5753495	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+H+NH4"	19.041099
"737027"	408.6027495	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+H+NH4"	19.041099
"1492578"	142.5479495	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H+NH4"	19.041099
"404424"	555.098818	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+Na"	22.989218
"767606"	821.153618	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+Na"	22.989218
"1614612"	289.044018	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Na"	22.989218
"325739"	278.053047	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+H+Na"	23.996494
"719259"	411.080447	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+H+Na"	23.996494
"1471984"	145.025647	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H+Na"	23.996494
"1064863"	97.0195233333333	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2H+Na"	25.00377
"1267996"	299.088286	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+CH3OH+H"	33.033486
"385486"	571.072758	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+K"	38.963158
"745385"	837.127558	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+K"	38.963158
"1543068"	305.017958	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+K"	38.963158
"303524"	286.040017	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+H+K"	39.970434
"697039"	419.067417	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+H+K"	39.970434
"1454138"	153.012617	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H+K"	39.970434
"242741"	574.143426	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+ACN+H"	42.033826
"1216545"	308.088626	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+ACN+H"	42.033826
"1196177"	154.547951	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+ACN+2H"	43.041102
"192209"	577.08076	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+2Na-H"	44.97116
"636143"	843.13556	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+2Na-H"	44.97116
"1139647"	311.02596	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2Na-H"	44.97116
"184028"	289.044018	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+2Na"	45.978436
"623223"	422.071418	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+2Na"	45.978436
"1128189"	156.016618	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2Na"	45.978436
"1412442"	104.346837333333	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H+2Na"	46.985712
"1443830"	313.067546	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H+HCOOH"	47.012746
"231339"	294.07704	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+3H2O+2H"	56.04448
"1512840"	327.11959	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+IsoProp+H"	61.06479
"413621"	297.030988	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+Na+K"	61.952376
"780082"	430.058388	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+Na+K"	61.952376
"1679702"	164.003588	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Na+K"	61.952376
"261850"	596.125368	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+ACN+Na"	64.015768
"1236746"	330.070568	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+ACN+Na"	64.015768
"1725632"	330.094093	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+NH4+HCOOH"	64.039293
"1192813"	111.674151333333	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+3Na"	68.967654
"1661971"	335.049488	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Na+HCOOH"	68.994688
"165553"	609.02864	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+2K-H"	76.91904
"611674"	875.08344	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+2K-H"	76.91904
"1098987"	342.97384	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2K-H"	76.91904
"149721"	305.017958	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"2M+2K"	77.926316
"588187"	438.045358	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"3M+2K"	77.926316
"1072705"	171.990558	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2K"	77.926316
"1102997"	344.988392	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2K+H"	78.933592
"1343393"	345.076007	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+DMSO+H"	79.021207
"1014109"	349.115176	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2ACN+H"	83.060376
"1530046"	350.108808	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+IsoProp+Na+H"	84.054008
"995401"	175.061226	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+2ACN+2H"	84.067652
"1592091"	351.023428	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+K+HCOOH"	84.968628
"1422132"	381.054938	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+H+CF3COOH"	115.000138
"1154607"	195.574501	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+3ACN+2H"	125.094202
"1701971"	398.081485	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+NH4+CF3COOH"	132.026685
"1638715"	403.03688	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+Na+CF3COOH"	136.98208
"1580930"	419.01082	"C08506"	"Methoxybrassinin"	"C12H14N2OS2"	"266.0548"	"M+K+CF3COOH"	152.95602
"813483"	267.0954	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M"	0
"981548"	248.07701	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-H2O-H"	-19.01839
"70883"	177.056324	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M-3H"	-3.021828
"516882"	266.088124	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M-3H"	-3.021828
"883873"	88.024524	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-3H"	-3.021828
"15084"	266.088124	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M-2H"	-2.014552
"455009"	399.635824	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M-2H"	-2.014552
"831474"	132.540424	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-2H"	-2.014552
"91835"	533.183524	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M-H"	-1.007276
"531033"	800.278924	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M-H"	-1.007276
"909682"	266.088124	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-H"	-1.007276
"61020"	550.210071	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M-2H+NH4"	16.019271
"499848"	817.305471	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M-2H+NH4"	16.019271
"873275"	283.114671	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-2H+NH4"	16.019271
"36800"	555.165466	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M-2H+Na"	20.974666
"478549"	822.260866	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M-2H+Na"	20.974666
"853069"	288.070066	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-2H+Na"	20.974666
"1624791"	288.070066	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Na-2H"	20.974666
"103512"	284.076463	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M-H+Cl"	33.962126
"544899"	417.624163	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M-H+Cl"	33.962126
"940238"	150.528763	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-H+Cl"	33.962126
"277704"	569.160202	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+Cl"	34.969402
"672313"	836.255602	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+Cl"	34.969402
"1282891"	302.064802	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Cl"	34.969402
"26544"	571.139406	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M-2H+K"	36.948606
"467198"	838.234806	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M-2H+K"	36.948606
"842085"	304.044006	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-2H+K"	36.948606
"1562291"	304.044006	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+K-2H"	36.948606
"950174"	312.093594	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-H+HCOOH"	44.998194
"371670"	579.189001	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+HCOOH-H"	44.998201
"355551"	593.204651	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+Hac-H"	59.013851
"1503290"	326.109251	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Hac-H"	59.013851
"964633"	334.075551	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-H+NaCOOH"	66.980151
"122654"	302.064802	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+2Cl"	69.938804
"557475"	435.612502	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+2Cl"	69.938804
"1033204"	168.517102	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2Cl"	69.938804
"1253151"	346.014285	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Br"	78.918885
"1318878"	348.070272	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Cl+HCOOH"	80.974872
"1331996"	370.052229	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Cl+NaCOOH"	102.956829
"926546"	380.080986	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M-H+CF3COOH"	112.985586
"1299764"	416.057664	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Cl+CF3COOH"	148.962264
"1376832"	232.082724	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H-2H2O"	-35.012676
"1385945"	250.0927	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H-H2O"	-17.0027
"286722"	535.198076	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+H"	1.007276
"679872"	802.293476	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+H"	1.007276
"1353304"	268.102676	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H"	1.007276
"130208"	268.102676	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+2H"	2.014552
"569768"	401.650376	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+2H"	2.014552
"1038202"	134.554976	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2H"	2.014552
"208658"	179.070876	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+3H"	3.021828
"648218"	268.102676	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+3H"	3.021828
"1167438"	90.039076	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+3H"	3.021828
"430712"	552.224623	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+NH4"	18.033823
"799367"	819.320023	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+NH4"	18.033823
"1694969"	285.129223	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+NH4"	18.033823
"344716"	276.6159495	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+H+NH4"	19.041099
"738455"	410.1636495	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+H+NH4"	19.041099
"1492626"	143.0682495	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H+NH4"	19.041099
"408184"	557.180018	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+Na"	22.989218
"769421"	824.275418	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+Na"	22.989218
"1617521"	290.084618	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Na"	22.989218
"328890"	279.093647	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+H+Na"	23.996494
"720457"	412.641347	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+H+Na"	23.996494
"1475374"	145.545947	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H+Na"	23.996494
"1066795"	97.36639	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2H+Na"	25.00377
"1269930"	300.128886	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+CH3OH+H"	33.033486
"389970"	573.153958	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+K"	38.963158
"750962"	840.249358	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+K"	38.963158
"1546458"	306.058558	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+K"	38.963158
"308008"	287.080617	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+H+K"	39.970434
"698243"	420.628317	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+H+K"	39.970434
"1452063"	153.532917	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H+K"	39.970434
"247225"	576.224626	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+ACN+H"	42.033826
"1217748"	309.129226	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+ACN+H"	42.033826
"1203821"	155.068251	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+ACN+2H"	43.041102
"201068"	579.16196	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+2Na-H"	44.97116
"642449"	846.25736	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+2Na-H"	44.97116
"1143403"	312.06656	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2Na-H"	44.97116
"186327"	290.084618	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+2Na"	45.978436
"627954"	423.632318	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+2Na"	45.978436
"1130855"	156.536918	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2Na"	45.978436
"1414016"	104.693704	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H+2Na"	46.985712
"1444674"	314.108146	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H+HCOOH"	47.012746
"234006"	295.11764	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+3H2O+2H"	56.04448
"1522063"	328.16019	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+IsoProp+H"	61.06479
"421385"	298.071588	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+Na+K"	61.952376
"782016"	431.619288	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+Na+K"	61.952376
"1680177"	164.523888	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Na+K"	61.952376
"264509"	598.206568	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+ACN+Na"	64.015768
"1238678"	331.111168	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+ACN+Na"	64.015768
"1726835"	331.134693	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+NH4+HCOOH"	64.039293
"1192917"	112.021018	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+3Na"	68.967654
"1664269"	336.090088	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Na+HCOOH"	68.994688
"167850"	611.10984	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+2K-H"	76.91904
"611544"	878.20524	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+2K-H"	76.91904
"1099787"	344.01444	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2K-H"	76.91904
"153112"	306.058558	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"2M+2K"	77.926316
"592672"	439.606258	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"3M+2K"	77.926316
"1080469"	172.510858	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2K"	77.926316
"1107117"	346.028992	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2K+H"	78.933592
"1348607"	346.116607	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+DMSO+H"	79.021207
"1016406"	350.155776	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2ACN+H"	83.060376
"1531249"	351.149408	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+IsoProp+Na+H"	84.054008
"996605"	175.581526	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+2ACN+2H"	84.067652
"1593296"	352.064028	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+K+HCOOH"	84.968628
"1422242"	382.095538	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+H+CF3COOH"	115.000138
"1151437"	196.094801	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+3ACN+2H"	125.094202
"1702081"	399.122085	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+NH4+CF3COOH"	132.026685
"1636638"	404.07748	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+Na+CF3COOH"	136.98208
"1581040"	420.05142	"C08507"	"Miserotoxin"	"C9H17NO8"	"267.0954"	"M+K+CF3COOH"	152.95602
"804845"	212.1412	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M"	0
"978378"	193.12281	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-H2O-H"	-19.01839
"67714"	140.420190666667	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M-3H"	-3.021828
"506182"	211.133924	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M-3H"	-3.021828
"882888"	69.7064573333333	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-3H"	-3.021828
"8025"	211.133924	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M-2H"	-2.014552
"450866"	317.204524	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M-2H"	-2.014552
"830855"	105.063324	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-2H"	-2.014552
"90723"	423.275124	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M-H"	-1.007276
"529314"	635.416324	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M-H"	-1.007276
"906023"	211.133924	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-H"	-1.007276
"57117"	440.301671	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M-2H+NH4"	16.019271
"494491"	652.442871	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M-2H+NH4"	16.019271
"870106"	228.160471	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-2H+NH4"	16.019271
"38007"	445.257066	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M-2H+Na"	20.974666
"477568"	657.398266	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M-2H+Na"	20.974666
"849048"	233.115866	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-2H+Na"	20.974666
"1621621"	233.115866	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Na-2H"	20.974666
"105085"	229.122263	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M-H+Cl"	33.962126
"543917"	335.192863	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M-H+Cl"	33.962126
"937797"	123.051663	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-H+Cl"	33.962126
"277083"	459.251802	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+Cl"	34.969402
"670599"	671.393002	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+Cl"	34.969402
"1280086"	247.110602	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Cl"	34.969402
"23006"	461.231006	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M-2H+K"	36.948606
"462932"	673.372206	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M-2H+K"	36.948606
"841103"	249.089806	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-2H+K"	36.948606
"1564589"	249.089806	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+K-2H"	36.948606
"949191"	257.139394	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-H+HCOOH"	44.998194
"370323"	469.280601	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+HCOOH-H"	44.998201
"354568"	483.296251	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+Hac-H"	59.013851
"1503402"	271.155051	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Hac-H"	59.013851
"964746"	279.121351	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-H+NaCOOH"	66.980151
"121311"	247.110602	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+2Cl"	69.938804
"563061"	353.181202	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+2Cl"	69.938804
"1032591"	141.040002	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2Cl"	69.938804
"1254720"	291.060085	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Br"	78.918885
"1318623"	293.116072	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Cl+HCOOH"	80.974872
"1329926"	315.098029	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Cl+NaCOOH"	102.956829
"924626"	325.126786	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M-H+CF3COOH"	112.985586
"1293315"	361.103464	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Cl+CF3COOH"	148.962264
"1372569"	177.128524	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H-2H2O"	-35.012676
"1385689"	195.1385	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H-H2O"	-17.0027
"285376"	425.289676	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+H"	1.007276
"679984"	637.430876	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+H"	1.007276
"1359252"	213.148476	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H"	1.007276
"134329"	213.148476	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+2H"	2.014552
"568787"	319.219076	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+2H"	2.014552
"1048524"	107.077876	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2H"	2.014552
"215331"	142.434742666667	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+3H"	3.021828
"652704"	213.148476	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+3H"	3.021828
"1176301"	71.7210093333333	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+3H"	3.021828
"438485"	442.316223	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+NH4"	18.033823
"797292"	654.457423	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+NH4"	18.033823
"1696304"	230.175023	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+NH4"	18.033823
"345193"	221.6617495	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+H+NH4"	19.041099
"738098"	327.7323495	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+H+NH4"	19.041099
"1491432"	115.5911495	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H+NH4"	19.041099
"407079"	447.271618	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+Na"	22.989218
"766734"	659.412818	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+Na"	22.989218
"1617263"	235.130418	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Na"	22.989218
"328024"	224.139447	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+H+Na"	23.996494
"721176"	330.210047	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+H+Na"	23.996494
"1473299"	118.068847	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H+Na"	23.996494
"1066540"	79.0483233333333	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2H+Na"	25.00377
"1267124"	245.174686	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+CH3OH+H"	33.033486
"388622"	463.245558	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+K"	38.963158
"749979"	675.386758	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+K"	38.963158
"1544381"	251.104358	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+K"	38.963158
"307026"	232.126417	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+H+K"	39.970434
"699449"	338.197017	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+H+K"	39.970434
"1456547"	126.055817	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H+K"	39.970434
"248429"	466.316226	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+ACN+H"	42.033826
"1217859"	254.175026	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+ACN+H"	42.033826
"1204659"	127.591151	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+ACN+2H"	43.041102
"198260"	469.25356	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+2Na-H"	44.97116
"640008"	681.39476	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+2Na-H"	44.97116
"1143512"	257.11236	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2Na-H"	44.97116
"185345"	235.130418	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+2Na"	45.978436
"625998"	341.201018	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+2Na"	45.978436
"1129505"	129.059818	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2Na"	45.978436
"1411572"	86.3756373333333	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H+2Na"	46.985712
"1444904"	259.153946	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H+HCOOH"	47.012746
"234842"	240.16344	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+3H2O+2H"	56.04448
"1523634"	273.20599	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+IsoProp+H"	61.06479
"419309"	243.117388	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+Na+K"	61.952376
"779940"	349.187988	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+Na+K"	61.952376
"1679558"	137.046788	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Na+K"	61.952376
"265711"	488.298168	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+ACN+Na"	64.015768
"1239517"	276.156968	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+ACN+Na"	64.015768
"1727998"	276.180493	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+NH4+HCOOH"	64.039293
"1192665"	93.7029513333333	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+3Na"	68.967654
"1657818"	281.135888	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Na+HCOOH"	68.994688
"165773"	501.20144	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+2K-H"	76.91904
"608613"	713.34264	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+2K-H"	76.91904
"1093126"	289.06024	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2K-H"	76.91904
"151037"	251.104358	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"2M+2K"	77.926316
"593878"	357.174958	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"3M+2K"	77.926316
"1078393"	145.033758	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2K"	77.926316
"1109413"	291.074792	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2K+H"	78.933592
"1341423"	291.162407	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+DMSO+H"	79.021207
"1018700"	295.201576	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2ACN+H"	83.060376
"1534644"	296.195208	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+IsoProp+Na+H"	84.054008
"994529"	148.104426	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+2ACN+2H"	84.067652
"1591224"	297.109828	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+K+HCOOH"	84.968628
"1414570"	327.141338	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+H+CF3COOH"	115.000138
"1147167"	168.617701	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+3ACN+2H"	125.094202
"1700004"	344.167885	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+NH4+CF3COOH"	132.026685
"1635655"	349.12328	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+Na+CF3COOH"	136.98208
"1581150"	365.09722	"C08509"	"Putaminoxin"	"C12H20O3"	"212.1412"	"M+K+CF3COOH"	152.95602
"814799"	306.2056	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M"	0
"986144"	287.18721	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-H2O-H"	-19.01839
"73292"	203.129790666667	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M-3H"	-3.021828
"509573"	305.198324	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M-3H"	-3.021828
"888468"	101.061257333333	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-3H"	-3.021828
"10322"	305.198324	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M-2H"	-2.014552
"449884"	458.301124	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M-2H"	-2.014552
"827686"	152.095524	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-2H"	-2.014552
"91570"	611.403924	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M-H"	-1.007276
"531250"	917.609524	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M-H"	-1.007276
"906135"	305.198324	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-H"	-1.007276
"60754"	628.430471	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M-2H+NH4"	16.019271
"496789"	934.636071	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M-2H+NH4"	16.019271
"871309"	322.224871	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-2H+NH4"	16.019271
"38116"	633.385866	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M-2H+Na"	20.974666
"482052"	939.591466	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M-2H+Na"	20.974666
"850133"	327.180266	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-2H+Na"	20.974666
"1621731"	327.180266	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Na-2H"	20.974666
"105195"	323.186663	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M-H+Cl"	33.962126
"549379"	476.289463	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M-H+Cl"	33.962126
"941070"	170.083863	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-H+Cl"	33.962126
"280844"	647.380602	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+Cl"	34.969402
"673386"	953.586202	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+Cl"	34.969402
"1287005"	341.175002	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Cl"	34.969402
"28225"	649.359806	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M-2H+K"	36.948606
"470464"	955.565406	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M-2H+K"	36.948606
"845587"	343.154206	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-2H+K"	36.948606
"1566888"	343.154206	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+K-2H"	36.948606
"955135"	351.203794	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-H+HCOOH"	44.998194
"374809"	657.409401	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+HCOOH-H"	44.998201
"356504"	671.425051	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+Hac-H"	59.013851
"1502419"	365.219451	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Hac-H"	59.013851
"966681"	373.185751	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-H+NaCOOH"	66.980151
"120328"	341.175002	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+2Cl"	69.938804
"561712"	494.277802	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+2Cl"	69.938804
"1032703"	188.072202	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2Cl"	69.938804
"1253010"	385.124485	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Br"	78.918885
"1315821"	387.180472	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Cl+HCOOH"	80.974872
"1331131"	409.162429	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Cl+NaCOOH"	102.956829
"923282"	419.191186	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M-H+CF3COOH"	112.985586
"1299987"	455.167864	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Cl+CF3COOH"	148.962264
"1378877"	271.192924	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H-2H2O"	-35.012676
"1386529"	289.2029	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H-H2O"	-17.0027
"285851"	613.418476	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+H"	1.007276
"679001"	919.624076	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+H"	1.007276
"1356446"	307.212876	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H"	1.007276
"137722"	307.212876	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+2H"	2.014552
"572179"	460.315676	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+2H"	2.014552
"1051800"	154.110076	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2H"	2.014552
"219501"	205.144342666667	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+3H"	3.021828
"659502"	307.212876	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+3H"	3.021828
"1178326"	103.075809333333	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+3H"	3.021828
"439335"	630.445023	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+NH4"	18.033823
"800932"	936.650623	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+NH4"	18.033823
"1694471"	324.239423	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+NH4"	18.033823
"342749"	315.7261495	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+H+NH4"	19.041099
"737603"	468.8289495	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+H+NH4"	19.041099
"1491179"	162.6233495	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H+NH4"	19.041099
"407309"	635.400418	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+Na"	22.989218
"765752"	941.606018	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+Na"	22.989218
"1614942"	329.194818	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Na"	22.989218
"323884"	318.203847	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+H+Na"	23.996494
"718492"	471.306647	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+H+Na"	23.996494
"1476243"	165.101047	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H+Na"	23.996494
"1067381"	110.403123333333	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2H+Na"	25.00377
"1268330"	339.239086	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+CH3OH+H"	33.033486
"388002"	651.374358	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+K"	38.963158
"747905"	957.579958	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+K"	38.963158
"1547769"	345.168758	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+K"	38.963158
"301667"	326.190817	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+H+K"	39.970434
"697369"	479.293617	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+H+K"	39.970434
"1453377"	173.088017	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H+K"	39.970434
"246354"	654.445026	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+ACN+H"	42.033826
"1219062"	348.239426	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+ACN+H"	42.033826
"1201854"	174.623351	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+ACN+2H"	43.041102
"196913"	657.38236	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+2Na-H"	44.97116
"638661"	963.58796	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+2Na-H"	44.97116
"1143261"	351.17676	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2Na-H"	44.97116
"182176"	329.194818	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+2Na"	45.978436
"622829"	482.297618	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+2Na"	45.978436
"1123054"	176.092018	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2Na"	45.978436
"1407671"	117.730437333333	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H+2Na"	46.985712
"1440517"	353.218346	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H+HCOOH"	47.012746
"228391"	334.22784	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+3H2O+2H"	56.04448
"1518641"	367.27039	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+IsoProp+H"	61.06479
"418327"	337.181788	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+Na+K"	61.952376
"784911"	490.284588	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+Na+K"	61.952376
"1680039"	184.078988	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Na+K"	61.952376
"265826"	676.426968	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+ACN+Na"	64.015768
"1239267"	370.221368	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+ACN+Na"	64.015768
"1726577"	370.244893	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+NH4+HCOOH"	64.039293
"1191322"	125.057751333333	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+3Na"	68.967654
"1664490"	375.200288	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Na+HCOOH"	68.994688
"168071"	689.33024	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+2K-H"	76.91904
"608729"	995.53584	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+2K-H"	76.91904
"1096522"	383.12464	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2K-H"	76.91904
"152977"	345.168758	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"2M+2K"	77.926316
"594355"	498.271558	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"3M+2K"	77.926316
"1078140"	192.065958	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2K"	77.926316
"1110985"	385.139192	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2K+H"	78.933592
"1347734"	385.226807	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+DMSO+H"	79.021207
"1019180"	389.265976	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2ACN+H"	83.060376
"1528194"	390.259608	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+IsoProp+Na+H"	84.054008
"995736"	195.136626	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+2ACN+2H"	84.067652
"1591332"	391.174228	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+K+HCOOH"	84.968628
"1416995"	421.205738	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+H+CF3COOH"	115.000138
"1150564"	215.649901	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+3ACN+2H"	125.094202
"1697198"	438.232285	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+NH4+CF3COOH"	132.026685
"1637953"	443.18768	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+Na+CF3COOH"	136.98208
"1573605"	459.16162	"C08510"	"Ruscopine"	"C16H26N4O2"	"306.2056"	"M+K+CF3COOH"	152.95602
"808345"	197.1052	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M"	0
"981877"	178.08681	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-H2O-H"	-19.01839
"76680"	130.396190666667	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M-3H"	-3.021828
"509685"	196.097924	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M-3H"	-3.021828
"886393"	64.6944573333333	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-3H"	-3.021828
"10434"	196.097924	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M-2H"	-2.014552
"447807"	294.650524	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M-2H"	-2.014552
"826703"	97.545324	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-2H"	-2.014552
"91801"	393.203124	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M-H"	-1.007276
"530629"	590.308324	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M-H"	-1.007276
"906974"	196.097924	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-H"	-1.007276
"60255"	410.229671	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M-2H+NH4"	16.019271
"496899"	607.334871	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M-2H+NH4"	16.019271
"871419"	213.124471	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-2H+NH4"	16.019271
"39319"	415.185066	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M-2H+Na"	20.974666
"482162"	612.290266	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M-2H+Na"	20.974666
"850243"	218.079866	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-2H+Na"	20.974666
"1621841"	218.079866	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Na-2H"	20.974666
"107493"	214.086263	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M-H+Cl"	33.962126
"549733"	312.638863	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M-H+Cl"	33.962126
"942279"	115.533663	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-H+Cl"	33.962126
"281197"	429.179802	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+Cl"	34.969402
"673981"	626.285002	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+Cl"	34.969402
"1287114"	232.074602	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Cl"	34.969402
"30403"	431.159006	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M-2H+K"	36.948606
"470451"	628.264206	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M-2H+K"	36.948606
"846426"	234.053806	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-2H+K"	36.948606
"1568092"	234.053806	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+K-2H"	36.948606
"956338"	242.103394	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-H+HCOOH"	44.998194
"374190"	439.208601	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+HCOOH-H"	44.998201
"358072"	453.224251	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+Hac-H"	59.013851
"1503258"	256.119051	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Hac-H"	59.013851
"966791"	264.085351	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-H+NaCOOH"	66.980151
"121531"	232.074602	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+2Cl"	69.938804
"562915"	330.627202	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+2Cl"	69.938804
"1034635"	133.522002	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2Cl"	69.938804
"1256037"	276.024085	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Br"	78.918885
"1317024"	278.080072	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Cl+HCOOH"	80.974872
"1332335"	300.062029	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Cl+NaCOOH"	102.956829
"922301"	310.090786	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M-H+CF3COOH"	112.985586
"1300827"	346.067464	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Cl+CF3COOH"	148.962264
"1373883"	162.092524	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H-2H2O"	-35.012676
"1386276"	180.1025	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H-H2O"	-17.0027
"286691"	395.217676	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+H"	1.007276
"678018"	592.322876	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+H"	1.007276
"1359472"	198.112476	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H"	1.007276
"137468"	198.112476	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+2H"	2.014552
"575569"	296.665076	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+2H"	2.014552
"1052438"	99.559876	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2H"	2.014552
"219570"	132.410742666667	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+3H"	3.021828
"659692"	198.112476	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+3H"	3.021828
"1177142"	66.7090093333333	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+3H"	3.021828
"437981"	412.244223	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+NH4"	18.033823
"800312"	609.349423	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+NH4"	18.033823
"1696037"	215.139023	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+NH4"	18.033823
"343953"	206.6257495	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+H+NH4"	19.041099
"737104"	305.1783495	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+H+NH4"	19.041099
"1492018"	108.0731495	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H+NH4"	19.041099
"407987"	417.199618	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+Na"	22.989218
"768781"	614.304818	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+Na"	22.989218
"1615053"	220.094418	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Na"	22.989218
"327278"	209.103447	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+H+Na"	23.996494
"717513"	307.656047	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+H+Na"	23.996494
"1474613"	110.550847	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H+Na"	23.996494
"1067493"	74.0363233333333	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2H+Na"	25.00377
"1271723"	230.138686	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+CH3OH+H"	33.033486
"388841"	433.173558	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+K"	38.963158
"749110"	630.278758	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+K"	38.963158
"1551159"	236.068358	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+K"	38.963158
"307246"	217.090417	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+H+K"	39.970434
"700760"	315.643017	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+H+K"	39.970434
"1457862"	118.537817	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H+K"	39.970434
"250476"	436.244226	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+ACN+H"	42.033826
"1222088"	239.139026	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+ACN+H"	42.033826
"1206341"	120.073151	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+ACN+2H"	43.041102
"201762"	439.18156	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+2Na-H"	44.97116
"642661"	636.28676	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+2Na-H"	44.97116
"1146291"	242.07636	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2Na-H"	44.97116
"181195"	220.094418	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+2Na"	45.978436
"626586"	318.647018	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+2Na"	45.978436
"1124258"	121.541818	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2Na"	45.978436
"1405230"	81.3636373333333	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H+2Na"	46.985712
"1441721"	244.117946	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H+HCOOH"	47.012746
"233240"	225.12744	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+3H2O+2H"	56.04448
"1520937"	258.16999	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+IsoProp+H"	61.06479
"422811"	228.081388	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+Na+K"	61.952376
"785315"	326.633988	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+Na+K"	61.952376
"1679057"	129.528788	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Na+K"	61.952376
"265210"	458.226168	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+ACN+Na"	64.015768
"1238287"	261.120968	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+ACN+Na"	64.015768
"1726808"	261.144493	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+NH4+HCOOH"	64.039293
"1190340"	88.6909513333333	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+3Na"	68.967654
"1661320"	266.099888	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Na+HCOOH"	68.994688
"170008"	471.12944	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+2K-H"	76.91904
"610302"	668.23464	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+2K-H"	76.91904
"1096631"	274.02424	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2K-H"	76.91904
"153085"	236.068358	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"2M+2K"	77.926316
"594098"	334.620958	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"3M+2K"	77.926316
"1078615"	137.515758	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2K"	77.926316
"1113643"	276.038792	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2K+H"	78.933592
"1348937"	276.126407	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+DMSO+H"	79.021207
"1017828"	280.165576	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2ACN+H"	83.060376
"1534868"	281.159208	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+IsoProp+Na+H"	84.054008
"999127"	140.586426	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+2ACN+2H"	84.067652
"1591444"	282.073828	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+K+HCOOH"	84.968628
"1425853"	312.105338	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+H+CF3COOH"	115.000138
"1152861"	161.099701	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+3ACN+2H"	125.094202
"1708974"	329.131885	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+NH4+CF3COOH"	132.026685
"1642438"	334.08728	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+Na+CF3COOH"	136.98208
"1574809"	350.06122	"C08511"	"Tenuazonic acid;Pyrrole-24-diol 3-acetyl-5-sec-butyl-"	"C10H15NO3"	"197.1052"	"M+K+CF3COOH"	152.95602
"811735"	276.0845	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M"	0
"984173"	257.06611	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-H2O-H"	-19.01839
"71323"	183.049057333333	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M-3H"	-3.021828
"516356"	275.077224	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M-3H"	-3.021828
"889783"	91.0208906666667	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-3H"	-3.021828
"12731"	275.077224	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M-2H"	-2.014552
"452291"	413.119474	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M-2H"	-2.014552
"826813"	137.034974	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-2H"	-2.014552
"92274"	551.161724	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M-H"	-1.007276
"531833"	827.246224	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M-H"	-1.007276
"905261"	275.077224	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-H"	-1.007276
"59271"	568.188271	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M-2H+NH4"	16.019271
"494822"	844.272771	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M-2H+NH4"	16.019271
"872623"	292.103771	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-2H+NH4"	16.019271
"36149"	573.143666	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M-2H+Na"	20.974666
"475709"	849.228166	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M-2H+Na"	20.974666
"853510"	297.059166	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-2H+Na"	20.974666
"1621949"	297.059166	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Na-2H"	20.974666
"108695"	293.065563	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M-H+Cl"	33.962126
"549607"	431.107813	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M-H+Cl"	33.962126
"942549"	155.023313	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-H+Cl"	33.962126
"282162"	587.138402	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+Cl"	34.969402
"675065"	863.222902	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+Cl"	34.969402
"1287224"	311.053902	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Cl"	34.969402
"30796"	589.117606	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M-2H+K"	36.948606
"471051"	865.202106	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M-2H+K"	36.948606
"848326"	313.033106	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-2H+K"	36.948606
"1571079"	313.033106	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+K-2H"	36.948606
"954625"	321.082694	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-H+HCOOH"	44.998194
"375029"	597.167201	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+HCOOH-H"	44.998201
"358183"	611.182851	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+Hac-H"	59.013851
"1503368"	335.098351	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Hac-H"	59.013851
"969452"	343.064651	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-H+NaCOOH"	66.980151
"120913"	311.053902	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+2Cl"	69.938804
"564362"	449.096152	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+2Cl"	69.938804
"1036938"	173.011652	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2Cl"	69.938804
"1254689"	355.003385	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Br"	78.918885
"1318106"	357.059372	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Cl+HCOOH"	80.974872
"1332811"	379.041329	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Cl+NaCOOH"	102.956829
"923140"	389.070086	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M-H+CF3COOH"	112.985586
"1299844"	425.046764	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Cl+CF3COOH"	148.962264
"1372900"	241.071824	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H-2H2O"	-35.012676
"1386022"	259.0818	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H-H2O"	-17.0027
"290081"	553.176276	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+H"	1.007276
"680315"	829.260776	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+H"	1.007276
"1356666"	277.091776	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H"	1.007276
"137578"	277.091776	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+2H"	2.014552
"575315"	415.134026	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+2H"	2.014552
"1052507"	139.049526	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2H"	2.014552
"218586"	185.063609333333	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+3H"	3.021828
"657416"	277.091776	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+3H"	3.021828
"1177981"	93.0354426666667	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+3H"	3.021828
"439306"	570.202823	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+NH4"	18.033823
"799451"	846.287323	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+NH4"	18.033823
"1693955"	294.118323	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+NH4"	18.033823
"344917"	285.6050495	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+H+NH4"	19.041099
"736123"	423.6472995	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+H+NH4"	19.041099
"1489943"	147.5627995	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H+NH4"	19.041099
"407529"	575.158218	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+Na"	22.989218
"767430"	851.242718	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+Na"	22.989218
"1616258"	299.073718	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Na"	22.989218
"326295"	288.082747	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+H+Na"	23.996494
"719810"	426.124997	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+H+Na"	23.996494
"1475453"	150.040497	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H+Na"	23.996494
"1067240"	100.362756666667	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2H+Na"	25.00377
"1272159"	309.117986	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+CH3OH+H"	33.033486
"382755"	591.132158	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+K"	38.963158
"751407"	867.216658	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+K"	38.963158
"1547991"	315.047658	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+K"	38.963158
"309545"	296.069717	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+H+K"	39.970434
"703057"	434.111967	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+H+K"	39.970434
"1459068"	158.027467	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H+K"	39.970434
"249856"	594.202826	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+ACN+H"	42.033826
"1225364"	318.118326	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+ACN+H"	42.033826
"1206450"	159.562801	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+ACN+2H"	43.041102
"201508"	597.14016	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+2Na-H"	44.97116
"642527"	873.22466	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+2Na-H"	44.97116
"1146811"	321.05566	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2Na-H"	44.97116
"187017"	299.073718	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+2Na"	45.978436
"621958"	437.115968	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+2Na"	45.978436
"1131102"	161.031468	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2Na"	45.978436
"1412633"	107.690070666667	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H+2Na"	46.985712
"1445507"	323.097246	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H+HCOOH"	47.012746
"231891"	304.10674	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+3H2O+2H"	56.04448
"1523600"	337.14929	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+IsoProp+H"	61.06479
"420734"	307.060688	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+Na+K"	61.952376
"782458"	445.102938	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+Na+K"	61.952376
"1679525"	169.018438	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Na+K"	61.952376
"266298"	616.184768	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+ACN+Na"	64.015768
"1240211"	340.100268	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+ACN+Na"	64.015768
"1727891"	340.123793	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+NH4+HCOOH"	64.039293
"1192638"	115.017384666667	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+3Na"	68.967654
"1661433"	345.079188	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Na+HCOOH"	68.994688
"170486"	629.08804	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+2K-H"	76.91904
"610045"	905.17254	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+2K-H"	76.91904
"1096382"	353.00354	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2K-H"	76.91904
"151375"	315.047658	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"2M+2K"	77.926316
"594087"	453.089908	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"3M+2K"	77.926316
"1079453"	177.005408	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2K"	77.926316
"1113027"	355.018092	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2K+H"	78.933592
"1349049"	355.105707	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+DMSO+H"	79.021207
"1020369"	359.144876	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2ACN+H"	83.060376
"1530603"	360.138508	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+IsoProp+Na+H"	84.054008
"998143"	180.076076	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+2ACN+2H"	84.067652
"1591552"	361.053128	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+K+HCOOH"	84.968628
"1419397"	391.084638	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+H+CF3COOH"	115.000138
"1151875"	200.589351	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+3ACN+2H"	125.094202
"1707991"	408.111185	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+NH4+CF3COOH"	132.026685
"1641455"	413.06658	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+Na+CF3COOH"	136.98208
"1574919"	429.04052	"C08512"	"Ranunculin"	"C11H16O8"	"276.0845"	"M+K+CF3COOH"	152.95602
"802004"	313.1314	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M"	0
"979909"	294.11301	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-H2O-H"	-19.01839
"64873"	207.746990666667	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M-3H"	-3.021828
"515374"	312.124124	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M-3H"	-3.021828
"892080"	103.369857333333	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-3H"	-3.021828
"12841"	312.124124	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M-2H"	-2.014552
"449121"	468.689824	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M-2H"	-2.014552
"829110"	155.558424	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-2H"	-2.014552
"91289"	625.255524	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M-H"	-1.007276
"526475"	938.386924	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M-H"	-1.007276
"902091"	312.124124	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-H"	-1.007276
"58288"	642.282071	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M-2H+NH4"	16.019271
"496755"	955.413471	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M-2H+NH4"	16.019271
"874192"	329.150671	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-2H+NH4"	16.019271
"36259"	647.237466	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M-2H+Na"	20.974666
"474725"	960.368866	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M-2H+Na"	20.974666
"853620"	334.106066	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-2H+Na"	20.974666
"1622059"	334.106066	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Na-2H"	20.974666
"109172"	330.112463	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M-H+Cl"	33.962126
"549598"	486.678163	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M-H+Cl"	33.962126
"942577"	173.546763	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-H+Cl"	33.962126
"282759"	661.232202	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+Cl"	34.969402
"675175"	974.363602	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+Cl"	34.969402
"1287091"	348.100802	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Cl"	34.969402
"31199"	663.211406	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M-2H+K"	36.948606
"471041"	976.342806	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M-2H+K"	36.948606
"848155"	350.080006	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-2H+K"	36.948606
"1571281"	350.080006	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+K-2H"	36.948606
"956190"	358.129594	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-H+HCOOH"	44.998194
"374405"	671.261001	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+HCOOH-H"	44.998201
"360601"	685.276651	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+Hac-H"	59.013851
"1503842"	372.145251	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Hac-H"	59.013851
"970290"	380.111551	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-H+NaCOOH"	66.980151
"120658"	348.100802	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+2Cl"	69.938804
"564229"	504.666502	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+2Cl"	69.938804
"1036801"	191.535102	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2Cl"	69.938804
"1255164"	392.050285	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Br"	78.918885
"1318337"	394.106272	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Cl+HCOOH"	80.974872
"1334009"	416.088229	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Cl+NaCOOH"	102.956829
"924701"	426.116986	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M-H+CF3COOH"	112.985586
"1299223"	462.093664	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Cl+CF3COOH"	148.962264
"1373010"	278.118724	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H-2H2O"	-35.012676
"1386495"	296.1287	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H-H2O"	-17.0027
"286911"	627.270076	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+H"	1.007276
"680425"	940.401476	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+H"	1.007276
"1356775"	314.138676	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H"	1.007276
"134772"	314.138676	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+2H"	2.014552
"572509"	470.704376	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+2H"	2.014552
"1050791"	157.572976	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2H"	2.014552
"219798"	209.761542666667	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+3H"	3.021828
"658621"	314.138676	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+3H"	3.021828
"1177963"	105.384409333333	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+3H"	3.021828
"437714"	644.296623	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+NH4"	18.033823
"800046"	957.428023	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+NH4"	18.033823
"1692972"	331.165223	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+NH4"	18.033823
"344176"	322.6519495	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+H+NH4"	19.041099
"736962"	479.2176495	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+H+NH4"	19.041099
"1489324"	166.0862495	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H+NH4"	19.041099
"405454"	649.252018	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+Na"	22.989218
"766082"	962.383418	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+Na"	22.989218
"1616005"	336.120618	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Na"	22.989218
"328591"	325.129647	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+H+Na"	23.996494
"718824"	481.695347	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+H+Na"	23.996494
"1474834"	168.563947	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H+Na"	23.996494
"1066982"	112.711723333333	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2H+Na"	25.00377
"1270725"	346.164886	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+CH3OH+H"	33.033486
"382865"	665.225958	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+K"	38.963158
"749330"	978.357358	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+K"	38.963158
"1554301"	352.094558	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+K"	38.963158
"309656"	333.116617	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+H+K"	39.970434
"705356"	489.682317	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+H+K"	39.970434
"1460275"	176.550917	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H+K"	39.970434
"250212"	668.296626	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+ACN+H"	42.033826
"1224496"	355.165226	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+ACN+H"	42.033826
"1207288"	178.086251	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+ACN+2H"	43.041102
"203076"	671.23396	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+2Na-H"	44.97116
"643245"	984.36536	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+2Na-H"	44.97116
"1146923"	358.10256	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2Na-H"	44.97116
"187613"	336.120618	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+2Na"	45.978436
"626443"	492.686318	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+2Na"	45.978436
"1130802"	179.554918	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2Na"	45.978436
"1412742"	120.039037333333	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H+2Na"	46.985712
"1445185"	360.144146	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H+HCOOH"	47.012746
"231637"	341.15364	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+3H2O+2H"	56.04448
"1522251"	374.19619	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+IsoProp+H"	61.06479
"418658"	344.107588	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+Na+K"	61.952376
"781838"	500.673288	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+Na+K"	61.952376
"1680902"	187.541888	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Na+K"	61.952376
"266614"	690.278568	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+ACN+Na"	64.015768
"1239835"	377.147168	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+ACN+Na"	64.015768
"1727887"	377.170693	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+NH4+HCOOH"	64.039293
"1194090"	127.366351333333	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+3Na"	68.967654
"1659725"	382.126088	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Na+HCOOH"	68.994688
"166949"	703.18184	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+2K-H"	76.91904
"609425"	1016.31324	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+2K-H"	76.91904
"1097220"	390.05044	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2K-H"	76.91904
"151486"	352.094558	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"2M+2K"	77.926316
"593226"	508.660258	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"3M+2K"	77.926316
"1078835"	195.528858	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2K"	77.926316
"1110223"	392.064992	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2K+H"	78.933592
"1347337"	392.152607	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+DMSO+H"	79.021207
"1019511"	396.191776	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2ACN+H"	83.060376
"1532900"	397.185408	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+IsoProp+Na+H"	84.054008
"997160"	198.599526	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+2ACN+2H"	84.067652
"1592754"	398.100028	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+K+HCOOH"	84.968628
"1420603"	428.131538	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+H+CF3COOH"	115.000138
"1151256"	219.112801	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+3ACN+2H"	125.094202
"1707008"	445.158085	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+NH4+CF3COOH"	132.026685
"1642658"	450.11348	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+Na+CF3COOH"	136.98208
"1575029"	466.08742	"C08513"	"Acetylcaranine;Belamarine"	"C18H19NO4"	"313.1314"	"M+K+CF3COOH"	152.95602
"805395"	361.1525	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M"	0
"982209"	342.13411	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-H2O-H"	-19.01839
"71544"	239.761057333333	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M-3H"	-3.021828
"514384"	360.145224	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M-3H"	-3.021828
"893651"	119.376890666667	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-3H"	-3.021828
"9673"	360.145224	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M-2H"	-2.014552
"453243"	540.721474	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M-2H"	-2.014552
"828128"	179.568974	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-2H"	-2.014552
"90672"	721.297724	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M-H"	-1.007276
"530960"	1082.450224	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M-H"	-1.007276
"908762"	360.145224	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-H"	-1.007276
"57304"	738.324271	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M-2H+NH4"	16.019271
"500875"	1099.476771	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M-2H+NH4"	16.019271
"878195"	377.171771	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-2H+NH4"	16.019271
"43661"	743.279666	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M-2H+Na"	20.974666
"482128"	1104.432166	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M-2H+Na"	20.974666
"853732"	382.127166	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-2H+Na"	20.974666
"1619983"	382.127166	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Na-2H"	20.974666
"108433"	378.133563	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M-H+Cl"	33.962126
"548965"	558.709813	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M-H+Cl"	33.962126
"941998"	197.557313	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-H+Cl"	33.962126
"281769"	757.274402	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+Cl"	34.969402
"674190"	1118.426902	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+Cl"	34.969402
"1287445"	396.121902	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Cl"	34.969402
"28301"	759.253606	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M-2H+K"	36.948606
"467132"	1120.406106	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M-2H+K"	36.948606
"844570"	398.101106	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-2H+K"	36.948606
"1568788"	398.101106	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+K-2H"	36.948606
"955941"	406.150694	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-H+HCOOH"	44.998194
"375250"	767.303201	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+HCOOH-H"	44.998201
"359496"	781.318851	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+Hac-H"	59.013851
"1504686"	420.166351	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Hac-H"	59.013851
"971131"	428.132651	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-H+NaCOOH"	66.980151
"122592"	396.121902	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+2Cl"	69.938804
"563612"	576.698152	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+2Cl"	69.938804
"1034960"	215.545652	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2Cl"	69.938804
"1252715"	440.071385	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Br"	78.918885
"1318079"	442.127372	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Cl+HCOOH"	80.974872
"1332298"	464.109329	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Cl+NaCOOH"	102.956829
"923719"	474.138086	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M-H+CF3COOH"	112.985586
"1297147"	510.114764	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Cl+CF3COOH"	148.962264
"1373121"	326.139824	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H-2H2O"	-35.012676
"1392804"	344.1498	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H-H2O"	-17.0027
"290303"	723.312276	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+H"	1.007276
"675918"	1084.464776	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+H"	1.007276
"1352390"	362.159776	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H"	1.007276
"126738"	362.159776	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+2H"	2.014552
"566904"	542.736026	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+2H"	2.014552
"1041419"	181.583526	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2H"	2.014552
"217342"	241.775609333333	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+3H"	3.021828
"659583"	362.159776	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+3H"	3.021828
"1177710"	121.391442666667	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+3H"	3.021828
"439287"	740.338823	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+NH4"	18.033823
"800280"	1101.491323	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+NH4"	18.033823
"1695762"	379.186323	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+NH4"	18.033823
"344647"	370.6730495	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+H+NH4"	19.041099
"737559"	551.2492995	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+H+NH4"	19.041099
"1491499"	190.0967995	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H+NH4"	19.041099
"406292"	745.294218	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+Na"	22.989218
"768257"	1106.446718	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+Na"	22.989218
"1614659"	384.141718	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Na"	22.989218
"327973"	373.150747	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+H+Na"	23.996494
"720270"	553.726997	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+H+Na"	23.996494
"1476036"	192.574497	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H+Na"	23.996494
"1067340"	128.718756666667	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2H+Na"	25.00377
"1268769"	394.185986	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+CH3OH+H"	33.033486
"386255"	761.268158	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+K"	38.963158
"751263"	1122.420658	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+K"	38.963158
"1544935"	400.115658	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+K"	38.963158
"306486"	381.137717	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+H+K"	39.970434
"703280"	561.713967	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+H+K"	39.970434
"1456008"	200.561467	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H+K"	39.970434
"250323"	764.338826	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+ACN+H"	42.033826
"1225221"	403.186326	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+ACN+H"	42.033826
"1209346"	202.096801	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+ACN+2H"	43.041102
"202459"	767.27616	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+2Na-H"	44.97116
"636916"	1128.42866	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+2Na-H"	44.97116
"1144432"	406.12366	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2Na-H"	44.97116
"179337"	384.141718	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+2Na"	45.978436
"619990"	564.717968	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+2Na"	45.978436
"1125685"	203.565468	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2Na"	45.978436
"1413833"	136.046070666667	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H+2Na"	46.985712
"1442419"	408.165246	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H+HCOOH"	47.012746
"231020"	389.17474	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+3H2O+2H"	56.04448
"1520177"	422.21729	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+IsoProp+H"	61.06479
"422417"	392.128688	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+Na+K"	61.952376
"785125"	572.704938	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+Na+K"	61.952376
"1680730"	211.552438	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Na+K"	61.952376
"266394"	786.320768	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+ACN+Na"	64.015768
"1240771"	425.168268	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+ACN+Na"	64.015768
"1728281"	425.191793	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+NH4+HCOOH"	64.039293
"1193791"	143.373384666667	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+3Na"	68.967654
"1659835"	430.147188	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Na+HCOOH"	68.994688
"170701"	799.22404	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+2K-H"	76.91904
"610265"	1160.37654	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+2K-H"	76.91904
"1094045"	438.07154	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2K-H"	76.91904
"154509"	400.115658	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"2M+2K"	77.926316
"592607"	580.691908	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"3M+2K"	77.926316
"1081131"	219.539408	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2K"	77.926316
"1111062"	440.086092	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2K+H"	78.933592
"1347811"	440.173707	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+DMSO+H"	79.021207
"1018164"	444.212876	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2ACN+H"	83.060376
"1535559"	445.206508	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+IsoProp+Na+H"	84.054008
"1000549"	222.610076	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+2ACN+2H"	84.067652
"1599427"	446.121128	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+K+HCOOH"	84.968628
"1423991"	476.152638	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+H+CF3COOH"	115.000138
"1151002"	243.123351	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+3ACN+2H"	125.094202
"1702742"	493.179185	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+NH4+CF3COOH"	132.026685
"1643862"	498.13458	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+Na+CF3COOH"	136.98208
"1577324"	514.10852	"C08514"	"3-Acetylnerbowdine"	"C19H23NO6"	"361.1525"	"M+K+CF3COOH"	152.95602
"805505"	345.1576	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M"	0
"982319"	326.13921	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-H2O-H"	-19.01839
"68374"	229.097790666667	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M-3H"	-3.021828
"515587"	344.150324	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M-3H"	-3.021828
"895340"	114.045257333333	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-3H"	-3.021828
"11969"	344.150324	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M-2H"	-2.014552
"452623"	516.729124	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M-2H"	-2.014552
"828238"	171.571524	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-2H"	-2.014552
"91510"	689.307924	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M-H"	-1.007276
"529977"	1034.465524	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M-H"	-1.007276
"904496"	344.150324	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-H"	-1.007276
"56685"	706.334471	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M-2H+NH4"	16.019271
"499527"	1051.492071	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M-2H+NH4"	16.019271
"877329"	361.176871	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-2H+NH4"	16.019271
"41948"	711.289866	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M-2H+Na"	20.974666
"481507"	1056.447466	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M-2H+Na"	20.974666
"853842"	366.132266	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-2H+Na"	20.974666
"1620093"	366.132266	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Na-2H"	20.974666
"109030"	362.138663	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M-H+Cl"	33.962126
"548956"	534.717463	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M-H+Cl"	33.962126
"942111"	189.559863	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-H+Cl"	33.962126
"281641"	725.284602	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+Cl"	34.969402
"675157"	1070.442202	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+Cl"	34.969402
"1287558"	380.127002	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Cl"	34.969402
"26589"	727.263806	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M-2H+K"	36.948606
"467242"	1072.421406	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M-2H+K"	36.948606
"845044"	382.106206	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-2H+K"	36.948606
"1566344"	382.106206	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+K-2H"	36.948606
"955320"	390.155794	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-H+HCOOH"	44.998194
"373901"	735.313401	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+HCOOH-H"	44.998201
"358877"	749.329051	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+Hac-H"	59.013851
"1505889"	404.171451	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Hac-H"	59.013851
"969418"	412.137751	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-H+NaCOOH"	66.980151
"124160"	380.127002	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+2Cl"	69.938804
"564087"	552.705802	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+2Cl"	69.938804
"1034705"	207.548202	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2Cl"	69.938804
"1252825"	424.076485	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Br"	78.918885
"1314180"	426.132472	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Cl+HCOOH"	80.974872
"1332772"	448.114429	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Cl+NaCOOH"	102.956829
"924922"	458.143186	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M-H+CF3COOH"	112.985586
"1297257"	494.119864	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Cl+CF3COOH"	148.962264
"1373231"	310.144924	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H-2H2O"	-35.012676
"1392914"	328.1549	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H-H2O"	-17.0027
"288226"	691.322476	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+H"	1.007276
"676271"	1036.480076	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+H"	1.007276
"1352986"	346.164876	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H"	1.007276
"126239"	346.164876	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+2H"	2.014552
"566405"	518.743676	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+2H"	2.014552
"1041529"	173.586076	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2H"	2.014552
"217088"	231.112342666667	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+3H"	3.021828
"659326"	346.164876	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+3H"	3.021828
"1176966"	116.059809333333	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+3H"	3.021828
"437685"	708.349023	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+NH4"	18.033823
"800995"	1053.506623	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+NH4"	18.033823
"1695379"	363.191423	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+NH4"	18.033823
"345200"	354.6781495	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+H+NH4"	19.041099
"738036"	527.2569495	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+H+NH4"	19.041099
"1492262"	182.0993495	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H+NH4"	19.041099
"406403"	713.304418	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+Na"	22.989218
"766302"	1058.462018	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+Na"	22.989218
"1616590"	368.146818	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Na"	22.989218
"329178"	357.155847	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+H+Na"	23.996494
"721109"	529.734647	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+H+Na"	23.996494
"1476510"	184.577047	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H+Na"	23.996494
"1068259"	123.387123333333	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2H+Na"	25.00377
"1268879"	378.191086	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+CH3OH+H"	33.033486
"386365"	729.278358	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+K"	38.963158
"751009"	1074.435958	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+K"	38.963158
"1549418"	384.120758	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+K"	38.963158
"312429"	365.142817	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+H+K"	39.970434
"693550"	537.721617	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+H+K"	39.970434
"1452838"	192.564017	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H+K"	39.970434
"249095"	732.349026	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+ACN+H"	42.033826
"1224238"	387.191426	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+ACN+H"	42.033826
"1209537"	194.099351	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+ACN+2H"	43.041102
"201109"	735.28636	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+2Na-H"	44.97116
"638119"	1080.44396	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+2Na-H"	44.97116
"1144541"	390.12876	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2Na-H"	44.97116
"184550"	368.146818	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+2Na"	45.978436
"619008"	540.725618	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+2Na"	45.978436
"1127982"	195.568018	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2Na"	45.978436
"1412481"	130.714437333333	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H+2Na"	46.985712
"1442529"	392.170346	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H+HCOOH"	47.012746
"230037"	373.17984	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+3H2O+2H"	56.04448
"1522353"	406.22239	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+IsoProp+H"	61.06479
"423134"	376.133788	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+Na+K"	61.952376
"784751"	548.712588	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+Na+K"	61.952376
"1680838"	203.554988	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Na+K"	61.952376
"266625"	754.330968	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+ACN+Na"	64.015768
"1240555"	409.173368	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+ACN+Na"	64.015768
"1728189"	409.196893	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+NH4+HCOOH"	64.039293
"1193945"	138.041751333333	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+3Na"	68.967654
"1662133"	414.152288	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Na+HCOOH"	68.994688
"171178"	767.23424	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+2K-H"	76.91904
"610738"	1112.39184	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+2K-H"	76.91904
"1093427"	422.07664	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2K-H"	76.91904
"156439"	384.120758	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"2M+2K"	77.926316
"591990"	556.699558	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"3M+2K"	77.926316
"1075775"	211.541958	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2K"	77.926316
"1111171"	424.091192	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2K+H"	78.933592
"1350474"	424.178807	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+DMSO+H"	79.021207
"1020096"	428.217976	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2ACN+H"	83.060376
"1536762"	429.211608	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+IsoProp+Na+H"	84.054008
"1002483"	214.612626	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+2ACN+2H"	84.067652
"1599538"	430.126228	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+K+HCOOH"	84.968628
"1424102"	460.157738	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+H+CF3COOH"	115.000138
"1153298"	235.125901	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+3ACN+2H"	125.094202
"1702852"	477.184285	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+NH4+CF3COOH"	132.026685
"1645065"	482.13968	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+Na+CF3COOH"	136.98208
"1574154"	498.11362	"C08515"	"Albomaculine"	"C19H23NO5"	"345.1576"	"M+K+CF3COOH"	152.95602
"805615"	317.1627	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M"	0
"982429"	298.14431	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-H2O-H"	-19.01839
"68484"	210.434524	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M-3H"	-3.021828
"512417"	316.155424	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M-3H"	-3.021828
"893870"	104.713624	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-3H"	-3.021828
"9892"	316.155424	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M-2H"	-2.014552
"449453"	474.736774	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M-2H"	-2.014552
"828348"	157.574074	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-2H"	-2.014552
"90892"	633.318124	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M-H"	-1.007276
"525712"	950.480824	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M-H"	-1.007276
"901326"	316.155424	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-H"	-1.007276
"55702"	650.344671	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M-2H+NH4"	16.019271
"497448"	967.507371	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M-2H+NH4"	16.019271
"875250"	333.181971	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-2H+NH4"	16.019271
"36590"	655.300066	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M-2H+Na"	20.974666
"481617"	972.462766	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M-2H+Na"	20.974666
"857232"	338.137366	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-2H+Na"	20.974666
"1621296"	338.137366	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Na-2H"	20.974666
"109381"	334.143763	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M-H+Cl"	33.962126
"549059"	492.725113	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M-H+Cl"	33.962126
"941972"	175.562413	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-H+Cl"	33.962126
"282439"	669.294802	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+Cl"	34.969402
"674781"	986.457502	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+Cl"	34.969402
"1287787"	352.132102	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Cl"	34.969402
"27792"	671.274006	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M-2H+K"	36.948606
"468446"	988.436706	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M-2H+K"	36.948606
"845154"	354.111306	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-2H+K"	36.948606
"1568641"	354.111306	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+K-2H"	36.948606
"956159"	362.160894	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-H+HCOOH"	44.998194
"374739"	679.323601	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+HCOOH-H"	44.998201
"358258"	693.339251	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+Hac-H"	59.013851
"1505633"	376.176551	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Hac-H"	59.013851
"971350"	384.142851	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-H+NaCOOH"	66.980151
"122814"	352.132102	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+2Cl"	69.938804
"563103"	510.713452	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+2Cl"	69.938804
"1034087"	193.550752	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2Cl"	69.938804
"1254028"	396.081585	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Br"	78.918885
"1315383"	398.137572	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Cl+HCOOH"	80.974872
"1329602"	420.119529	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Cl+NaCOOH"	102.956829
"921752"	430.148286	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M-H+CF3COOH"	112.985586
"1297367"	466.124964	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Cl+CF3COOH"	148.962264
"1373341"	282.150024	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H-2H2O"	-35.012676
"1393024"	300.16	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H-H2O"	-17.0027
"287243"	635.332676	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+H"	1.007276
"677109"	952.495376	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+H"	1.007276
"1353825"	318.169976	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H"	1.007276
"127439"	318.169976	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+2H"	2.014552
"567002"	476.751326	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+2H"	2.014552
"1041639"	159.588626	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2H"	2.014552
"215010"	212.449076	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+3H"	3.021828
"658583"	318.169976	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+3H"	3.021828
"1177562"	106.728176	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+3H"	3.021828
"438158"	652.359223	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+NH4"	18.033823
"798430"	969.521923	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+NH4"	18.033823
"1695126"	335.196523	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+NH4"	18.033823
"343771"	326.6832495	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+H+NH4"	19.041099
"737981"	485.2645995	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+H+NH4"	19.041099
"1492694"	168.1018995	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H+NH4"	19.041099
"407967"	657.314618	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+Na"	22.989218
"768598"	974.477318	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+Na"	22.989218
"1615606"	340.151918	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Na"	22.989218
"329530"	329.160947	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+H+Na"	23.996494
"722435"	487.742297	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+H+Na"	23.996494
"1475159"	170.579597	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H+Na"	23.996494
"1068125"	114.05549	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2H+Na"	25.00377
"1268989"	350.196186	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+CH3OH+H"	33.033486
"389755"	673.288558	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+K"	38.963158
"750754"	990.451258	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+K"	38.963158
"1549528"	356.125858	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+K"	38.963158
"313997"	337.147917	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+H+K"	39.970434
"694388"	495.729267	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+H+K"	39.970434
"1449668"	178.566567	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H+K"	39.970434
"249934"	676.359226	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+ACN+H"	42.033826
"1224833"	359.196526	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+ACN+H"	42.033826
"1208107"	180.101901	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+ACN+2H"	43.041102
"202312"	679.29656	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+2Na-H"	44.97116
"640048"	996.45926	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+2Na-H"	44.97116
"1144285"	362.13386	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2Na-H"	44.97116
"185754"	340.151918	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+2Na"	45.978436
"619118"	498.733268	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+2Na"	45.978436
"1125905"	181.570568	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2Na"	45.978436
"1413198"	121.382804	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H+2Na"	46.985712
"1439359"	364.175446	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H+HCOOH"	47.012746
"230147"	345.18494	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+3H2O+2H"	56.04448
"1519303"	378.22749	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+IsoProp+H"	61.06479
"423490"	348.138888	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+Na+K"	61.952376
"784742"	506.720238	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+Na+K"	61.952376
"1680704"	189.557538	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Na+K"	61.952376
"266493"	698.341168	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+ACN+Na"	64.015768
"1240784"	381.178468	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+ACN+Na"	64.015768
"1727487"	381.201993	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+NH4+HCOOH"	64.039293
"1193568"	128.710118	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+3Na"	68.967654
"1658598"	386.157388	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Na+HCOOH"	68.994688
"170558"	711.24444	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+2K-H"	76.91904
"609753"	1028.40714	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+2K-H"	76.91904
"1095724"	394.08174	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2K-H"	76.91904
"154728"	356.125858	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"2M+2K"	77.926316
"593194"	514.707208	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"3M+2K"	77.926316
"1076978"	197.544508	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2K"	77.926316
"1111645"	396.096292	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2K+H"	78.933592
"1347665"	396.183907	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+DMSO+H"	79.021207
"1019111"	400.223076	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2ACN+H"	83.060376
"1536873"	401.216708	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+IsoProp+Na+H"	84.054008
"1003684"	200.615176	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+2ACN+2H"	84.067652
"1599647"	402.131328	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+K+HCOOH"	84.968628
"1420931"	432.162838	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+H+CF3COOH"	115.000138
"1152314"	221.128451	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+3ACN+2H"	125.094202
"1702962"	449.189385	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+NH4+CF3COOH"	132.026685
"1645175"	454.14478	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+Na+CF3COOH"	136.98208
"1574264"	470.11872	"C08516"	"Amaryllisine"	"C18H23NO4"	"317.1627"	"M+K+CF3COOH"	152.95602
"805725"	331.142	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M"	0
"981446"	312.12361	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-H2O-H"	-19.01839
"68594"	219.754057333333	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M-3H"	-3.021828
"511434"	330.134724	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M-3H"	-3.021828
"893616"	109.373390666667	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-3H"	-3.021828
"10002"	330.134724	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M-2H"	-2.014552
"449563"	495.705724	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M-2H"	-2.014552
"828458"	164.563724	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-2H"	-2.014552
"91730"	661.276724	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M-H"	-1.007276
"525822"	992.418724	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M-H"	-1.007276
"901436"	330.134724	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-H"	-1.007276
"55812"	678.303271	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M-2H+NH4"	16.019271
"496465"	1009.445271	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M-2H+NH4"	16.019271
"875360"	347.161271	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-2H+NH4"	16.019271
"38886"	683.258666	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M-2H+Na"	20.974666
"482820"	1014.400666	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M-2H+Na"	20.974666
"857342"	352.116666	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-2H+Na"	20.974666
"1620313"	352.116666	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Na-2H"	20.974666
"104502"	348.123063	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M-H+Cl"	33.962126
"544063"	513.694063	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M-H+Cl"	33.962126
"936485"	182.552063	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-H+Cl"	33.962126
"272857"	697.253402	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+Cl"	34.969402
"675372"	1028.395402	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+Cl"	34.969402
"1287285"	366.111402	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Cl"	34.969402
"28995"	699.232606	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M-2H+K"	36.948606
"466368"	1030.374606	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M-2H+K"	36.948606
"843077"	368.090606	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-2H+K"	36.948606
"1569480"	368.090606	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+K-2H"	36.948606
"952256"	376.140194	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-H+HCOOH"	44.998194
"375578"	707.282201	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+HCOOH-H"	44.998201
"359461"	721.297851	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+Hac-H"	59.013851
"1505379"	390.155851	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Hac-H"	59.013851
"971096"	398.122151	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-H+NaCOOH"	66.980151
"122921"	366.111402	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+2Cl"	69.938804
"562481"	531.682402	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+2Cl"	69.938804
"1034561"	200.540402	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2Cl"	69.938804
"1253410"	410.060885	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Br"	78.918885
"1314400"	412.116872	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Cl+HCOOH"	80.974872
"1330805"	434.098829	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Cl+NaCOOH"	102.956829
"920770"	444.127586	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M-H+CF3COOH"	112.985586
"1296384"	480.104264	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Cl+CF3COOH"	148.962264
"1373451"	296.129324	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H-2H2O"	-35.012676
"1393134"	314.1393	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H-H2O"	-17.0027
"287353"	663.291276	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+H"	1.007276
"677583"	994.433276	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+H"	1.007276
"1353935"	332.149276	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H"	1.007276
"127551"	332.149276	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+2H"	2.014552
"566990"	497.720276	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+2H"	2.014552
"1042842"	166.578276	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2H"	2.014552
"212932"	221.768609333333	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+3H"	3.021828
"653588"	332.149276	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+3H"	3.021828
"1177185"	111.387942666667	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+3H"	3.021828
"438269"	680.317823	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+NH4"	18.033823
"797081"	1011.459823	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+NH4"	18.033823
"1695237"	349.175823	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+NH4"	18.033823
"342788"	340.6625495	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+H+NH4"	19.041099
"736672"	506.2335495	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+H+NH4"	19.041099
"1490125"	175.0915495	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H+NH4"	19.041099
"404068"	685.273218	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+Na"	22.989218
"766519"	1016.415218	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+Na"	22.989218
"1611341"	354.131218	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Na"	22.989218
"325749"	343.140247	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+H+Na"	23.996494
"719263"	508.711247	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+H+Na"	23.996494
"1475269"	177.569247	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H+Na"	23.996494
"1065967"	118.715256666667	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2H+Na"	25.00377
"1269099"	364.175486	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+CH3OH+H"	33.033486
"388771"	701.247158	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+K"	38.963158
"748676"	1032.389158	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+K"	38.963158
"1541981"	370.105158	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+K"	38.963158
"305720"	351.127217	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+H+K"	39.970434
"695591"	516.698217	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+H+K"	39.970434
"1453056"	185.556217	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H+K"	39.970434
"244941"	704.317826	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+ACN+H"	42.033826
"1220930"	373.175826	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+ACN+H"	42.033826
"1203719"	187.091551	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+ACN+2H"	43.041102
"199505"	707.25516	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+2Na-H"	44.97116
"638336"	1038.39716	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+2Na-H"	44.97116
"1142937"	376.11316	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2Na-H"	44.97116
"180761"	354.131218	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+2Na"	45.978436
"617041"	519.702218	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+2Na"	45.978436
"1126015"	188.560218	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2Na"	45.978436
"1413428"	126.042570666667	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H+2Na"	46.985712
"1439469"	378.154746	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H+HCOOH"	47.012746
"228071"	359.16424	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+3H2O+2H"	56.04448
"1516133"	392.20679	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+IsoProp+H"	61.06479
"418736"	362.118188	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+Na+K"	61.952376
"785417"	527.689188	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+Na+K"	61.952376
"1681179"	196.547188	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Na+K"	61.952376
"266886"	726.299768	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+ACN+Na"	64.015768
"1240531"	395.157768	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+ACN+Na"	64.015768
"1728286"	395.181293	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+NH4+HCOOH"	64.039293
"1193313"	133.369884666667	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+3Na"	68.967654
"1659799"	400.136688	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Na+HCOOH"	68.994688
"170303"	739.20304	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+2K-H"	76.91904
"606948"	1070.34504	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+2K-H"	76.91904
"1096927"	408.06104	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2K-H"	76.91904
"154837"	370.105158	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"2M+2K"	77.926316
"592574"	535.676158	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"3M+2K"	77.926316
"1075996"	204.534158	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2K"	77.926316
"1109933"	410.075592	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2K+H"	78.933592
"1346682"	410.163207	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+DMSO+H"	79.021207
"1015209"	414.202376	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2ACN+H"	83.060376
"1535522"	415.196008	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+IsoProp+Na+H"	84.054008
"998689"	207.604826	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+2ACN+2H"	84.067652
"1600486"	416.110628	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+K+HCOOH"	84.968628
"1422134"	446.142138	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+H+CF3COOH"	115.000138
"1150238"	228.118101	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+3ACN+2H"	125.094202
"1703072"	463.168685	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+NH4+CF3COOH"	132.026685
"1645285"	468.12408	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+Na+CF3COOH"	136.98208
"1574374"	484.09802	"C08517"	"Ambelline;(3alpha11S)-12-Didehydro-37-dimethoxycrinan-11-ol"	"C18H21NO5"	"331.142"	"M+K+CF3COOH"	152.95602
"815676"	315.1834	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M"	0
"987024"	296.16501	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-H2O-H"	-19.01839
"77698"	209.114990666667	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M-3H"	-3.021828
"517744"	314.176124	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M-3H"	-3.021828
"895480"	104.053857333333	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-3H"	-3.021828
"15217"	314.176124	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M-2H"	-2.014552
"453683"	471.767824	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M-2H"	-2.014552
"828568"	156.584424	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-2H"	-2.014552
"92936"	629.359524	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M-H"	-1.007276
"531400"	944.542924	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M-H"	-1.007276
"904827"	314.176124	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-H"	-1.007276
"59568"	646.386071	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M-2H+NH4"	16.019271
"495482"	961.569471	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M-2H+NH4"	16.019271
"876565"	331.202671	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-2H+NH4"	16.019271
"38996"	651.341466	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M-2H+Na"	20.974666
"481837"	966.524866	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M-2H+Na"	20.974666
"854172"	336.158066	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-2H+Na"	20.974666
"1621516"	336.158066	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Na-2H"	20.974666
"96953"	332.164463	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M-H+Cl"	33.962126
"535420"	489.756163	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M-H+Cl"	33.962126
"937689"	174.572763	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-H+Cl"	33.962126
"272964"	665.336202	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+Cl"	34.969402
"674994"	980.519602	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+Cl"	34.969402
"1287519"	350.152802	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Cl"	34.969402
"31052"	667.315406	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M-2H+K"	36.948606
"471062"	982.498806	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M-2H+K"	36.948606
"847075"	352.132006	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-2H+K"	36.948606
"1569834"	352.132006	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+K-2H"	36.948606
"954553"	360.181594	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-H+HCOOH"	44.998194
"374956"	675.365001	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+HCOOH-H"	44.998201
"359576"	689.380651	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+Hac-H"	59.013851
"1505856"	374.197251	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Hac-H"	59.013851
"973028"	382.163551	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-H+NaCOOH"	66.980151
"121572"	350.152802	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+2Cl"	69.938804
"563687"	507.744502	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+2Cl"	69.938804
"1032483"	192.561102	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2Cl"	69.938804
"1255711"	394.102285	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Br"	78.918885
"1317791"	396.158272	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Cl+HCOOH"	80.974872
"1330916"	418.140229	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Cl+NaCOOH"	102.956829
"921972"	428.168986	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M-H+CF3COOH"	112.985586
"1296494"	464.145664	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Cl+CF3COOH"	148.962264
"1373561"	280.170724	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H-2H2O"	-35.012676
"1393244"	298.1807	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H-H2O"	-17.0027
"287463"	631.374076	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+H"	1.007276
"678058"	946.557476	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+H"	1.007276
"1355140"	316.190676	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H"	1.007276
"128029"	316.190676	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+2H"	2.014552
"567588"	473.782376	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+2H"	2.014552
"1046233"	158.598976	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2H"	2.014552
"216324"	211.129542666667	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+3H"	3.021828
"654791"	316.190676	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+3H"	3.021828
"1175105"	106.068409333333	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+3H"	3.021828
"439472"	648.400623	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+NH4"	18.033823
"798282"	963.584023	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+NH4"	18.033823
"1696804"	333.217223	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+NH4"	18.033823
"344357"	324.7039495	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+H+NH4"	19.041099
"738323"	482.2956495	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+H+NH4"	19.041099
"1491696"	167.1122495	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H+NH4"	19.041099
"407824"	653.356018	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+Na"	22.989218
"766631"	968.539418	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+Na"	22.989218
"1616554"	338.172618	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Na"	22.989218
"327682"	327.181647	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+H+Na"	23.996494
"719374"	484.773347	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+H+Na"	23.996494
"1476110"	169.589947	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H+Na"	23.996494
"1067534"	113.395723333333	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2H+Na"	25.00377
"1270668"	348.216886	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+CH3OH+H"	33.033486
"392488"	669.329958	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+K"	38.963158
"747692"	984.513358	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+K"	38.963158
"1541730"	354.146558	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+K"	38.963158
"303281"	335.168617	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+H+K"	39.970434
"699346"	492.760317	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+H+K"	39.970434
"1457176"	177.576917	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H+K"	39.970434
"246508"	672.400626	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+ACN+H"	42.033826
"1219947"	357.217226	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+ACN+H"	42.033826
"1202736"	179.112251	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+ACN+2H"	43.041102
"196700"	675.33796	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+2Na-H"	44.97116
"642823"	990.52136	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+2Na-H"	44.97116
"1139767"	360.15456	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2Na-H"	44.97116
"180872"	338.172618	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+2Na"	45.978436
"617152"	495.764318	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+2Na"	45.978436
"1126125"	180.580918	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2Na"	45.978436
"1413660"	120.723037333333	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H+2Na"	46.985712
"1443590"	362.196146	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H+HCOOH"	47.012746
"232555"	343.20564	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+3H2O+2H"	56.04448
"1516243"	376.24819	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+IsoProp+H"	61.06479
"419210"	346.159588	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+Na+K"	61.952376
"785519"	503.751288	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+Na+K"	61.952376
"1680195"	188.567888	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Na+K"	61.952376
"267086"	694.382568	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+ACN+Na"	64.015768
"1241290"	379.199168	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+ACN+Na"	64.015768
"1728275"	379.222693	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+NH4+HCOOH"	64.039293
"1194051"	128.050351333333	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+3Na"	68.967654
"1658816"	384.178088	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Na+HCOOH"	68.994688
"166766"	707.28584	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+2K-H"	76.91904
"600863"	1022.46924	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+2K-H"	76.91904
"1091938"	392.10244	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2K-H"	76.91904
"149848"	354.146558	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"2M+2K"	77.926316
"595849"	511.738258	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"3M+2K"	77.926316
"1080844"	196.554858	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2K"	77.926316
"1111138"	394.116992	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2K+H"	78.933592
"1348251"	394.204607	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+DMSO+H"	79.021207
"1019822"	398.243776	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2ACN+H"	83.060376
"1536728"	399.237408	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+IsoProp+Na+H"	84.054008
"1002811"	199.625526	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+2ACN+2H"	84.067652
"1601690"	400.152028	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+K+HCOOH"	84.968628
"1424432"	430.183538	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+H+CF3COOH"	115.000138
"1152534"	220.138801	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+3ACN+2H"	125.094202
"1703182"	447.210085	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+NH4+CF3COOH"	132.026685
"1646488"	452.16548	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+Na+CF3COOH"	136.98208
"1573755"	468.13942	"C08518"	"Belladine"	"C19H25NO3"	"315.1834"	"M+K+CF3COOH"	152.95602
"805946"	287.1158	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M"	0
"986040"	268.09741	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"75376"	190.403257333333	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"517737"	286.108524	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"892380"	94.6979906666667	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"10954"	286.108524	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"448689"	429.666424	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"826491"	142.550624	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"90493"	573.224324	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"528230"	860.340124	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"901658"	286.108524	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"51659"	590.250871	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"491218"	877.366671	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"870115"	303.135071	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"39108"	595.206266	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"476482"	882.322066	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"856471"	308.090466	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1626006"	308.090466	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"98160"	304.096863	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"538815"	447.654763	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"935612"	160.538963	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"269792"	609.201002	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"668779"	896.316802	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1286533"	322.085202	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"29212"	611.180206	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"467318"	898.296006	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"845484"	324.064406	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1569333"	324.064406	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"956855"	332.113994	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"373975"	619.229801	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"359682"	633.245451	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1505236"	346.129651	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"971319"	354.095951	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"124117"	322.085202	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"563798"	465.643102	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1036242"	178.527302	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1255090"	366.034685	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1315715"	368.090672	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1331023"	390.072629	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"922083"	400.101386	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1296604"	436.078064	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1373674"	252.103124	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1392262"	270.1131	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"290856"	575.238876	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"686558"	862.354676	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1362906"	288.123076	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"131421"	288.123076	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"566971"	431.680976	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1046343"	144.565176	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"219799"	192.417809333333	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"658919"	288.123076	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1177774"	96.7125426666667	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"436667"	592.265423	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"800584"	879.381223	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1696435"	305.149623	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"344956"	296.6363495	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"736530"	440.1942495	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1491563"	153.0784495	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"407203"	597.220818	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"767835"	884.336618	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1614840"	310.105018	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"328158"	299.114047	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"718389"	442.671947	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1474763"	155.556147	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1067643"	104.039856666667	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1271028"	320.149286	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"382432"	613.194758	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"748171"	900.310558	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1539930"	326.078958	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"300840"	307.101017	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"694718"	450.658917	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1453278"	163.543117	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"238600"	616.265426	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1211674"	329.149626	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1200657"	165.078451	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"194625"	619.20276	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"631997"	906.31856	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1135870"	332.08696	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"177702"	310.105018	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"619814"	453.662918	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1131019"	166.547118	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1413979"	111.367170666667	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1445582"	334.128546	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"232666"	315.13804	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1524072"	348.18059	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"424187"	318.091988	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"785499"	461.649888	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1681122"	174.534088	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"267025"	638.247368	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1240908"	351.131568	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1728052"	351.155093	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1193652"	118.694484666667	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1661112"	356.110488	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"162507"	651.15064	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"603162"	938.26644	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1088766"	364.03484	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"148864"	326.078958	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"588426"	469.636858	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1076216"	182.521058	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1109426"	366.049392	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1345446"	366.137007	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1017256"	370.176176	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1533557"	371.169808	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"1002195"	185.591726	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1598883"	372.084428	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1420168"	402.115938	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1155928"	206.105001	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1701104"	419.142485	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1638941"	424.09788	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1576779"	440.07182	"C08519"	"Brunsvigine;(-)-Brunsvigine;3alpha-Pancracine"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"809335"	345.1212	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M"	0
"985057"	326.10281	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-H2O-H"	-19.01839
"74393"	229.073524	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M-3H"	-3.021828
"517845"	344.113924	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M-3H"	-3.021828
"894198"	114.033124	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-3H"	-3.021828
"14835"	344.113924	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M-2H"	-2.014552
"449893"	516.674524	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M-2H"	-2.014552
"829153"	171.553324	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-2H"	-2.014552
"88780"	689.235124	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M-H"	-1.007276
"525060"	1034.356324	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M-H"	-1.007276
"899581"	344.113924	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-H"	-1.007276
"50676"	706.261671	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M-2H+NH4"	16.019271
"490235"	1051.382871	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M-2H+NH4"	16.019271
"868038"	361.140471	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-2H+NH4"	16.019271
"39218"	711.217066	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M-2H+Na"	20.974666
"476592"	1056.338266	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M-2H+Na"	20.974666
"854393"	366.095866	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-2H+Na"	20.974666
"1626116"	366.095866	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Na-2H"	20.974666
"100457"	362.102263	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M-H+Cl"	33.962126
"540382"	534.662863	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M-H+Cl"	33.962126
"935722"	189.541663	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-H+Cl"	33.962126
"271725"	725.211802	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+Cl"	34.969402
"668889"	1070.333002	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+Cl"	34.969402
"1287132"	380.090602	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Cl"	34.969402
"29810"	727.191006	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M-2H+K"	36.948606
"467791"	1072.312206	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M-2H+K"	36.948606
"843407"	382.069806	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-2H+K"	36.948606
"1570662"	382.069806	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+K-2H"	36.948606
"953682"	390.119394	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-H+HCOOH"	44.998194
"371899"	735.240601	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+HCOOH-H"	44.998201
"355779"	749.256251	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+Hac-H"	59.013851
"1507170"	404.135051	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Hac-H"	59.013851
"972160"	412.101351	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-H+NaCOOH"	66.980151
"125441"	380.090602	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+2Cl"	69.938804
"565003"	552.651202	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+2Cl"	69.938804
"1036679"	207.530002	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2Cl"	69.938804
"1253741"	424.040085	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Br"	78.918885
"1319552"	426.096072	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Cl+HCOOH"	80.974872
"1335025"	448.078029	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Cl+NaCOOH"	102.956829
"924380"	458.106786	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M-H+CF3COOH"	112.985586
"1296714"	494.083464	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Cl+CF3COOH"	148.962264
"1377064"	310.108524	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H-2H2O"	-35.012676
"1392372"	328.1185	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H-H2O"	-17.0027
"292059"	691.249676	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+H"	1.007276
"686668"	1036.370876	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+H"	1.007276
"1363016"	346.128476	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H"	1.007276
"131531"	346.128476	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+2H"	2.014552
"568174"	518.689076	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+2H"	2.014552
"1047546"	173.567876	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2H"	2.014552
"219706"	231.088076	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+3H"	3.021828
"658662"	346.128476	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+3H"	3.021828
"1177517"	116.047676	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+3H"	3.021828
"438234"	708.276223	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+NH4"	18.033823
"800207"	1053.397423	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+NH4"	18.033823
"1696421"	363.155023	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+NH4"	18.033823
"345064"	354.6417495	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+H+NH4"	19.041099
"735545"	527.2023495	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+H+NH4"	19.041099
"1491188"	182.0811495	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H+NH4"	19.041099
"407679"	713.231618	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+Na"	22.989218
"768311"	1058.352818	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+Na"	22.989218
"1616771"	368.110418	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Na"	22.989218
"327175"	357.119447	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+H+Na"	23.996494
"722027"	529.680047	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+H+Na"	23.996494
"1474142"	184.558847	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H+Na"	23.996494
"1062284"	123.37499	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2H+Na"	25.00377
"1269430"	378.154686	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+CH3OH+H"	33.033486
"381449"	729.205558	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+K"	38.963158
"750102"	1074.326758	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+K"	38.963158
"1548878"	384.084358	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+K"	38.963158
"308242"	365.106417	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+H+K"	39.970434
"700661"	537.667017	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+H+K"	39.970434
"1456668"	192.545817	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H+K"	39.970434
"240169"	732.276226	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+ACN+H"	42.033826
"1214700"	387.155026	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+ACN+H"	42.033826
"1201863"	194.081151	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+ACN+2H"	43.041102
"200931"	735.21356	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+2Na-H"	44.97116
"633202"	1080.33476	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+2Na-H"	44.97116
"1135980"	390.09236	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2Na-H"	44.97116
"177812"	368.110418	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+2Na"	45.978436
"619924"	540.671018	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+2Na"	45.978436
"1127810"	195.549818	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2Na"	45.978436
"1412062"	130.702304	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H+2Na"	46.985712
"1445195"	392.133946	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H+HCOOH"	47.012746
"232412"	373.14344	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+3H2O+2H"	56.04448
"1523396"	406.18599	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+IsoProp+H"	61.06479
"424058"	376.097388	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+Na+K"	61.952376
"785173"	548.657988	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+Na+K"	61.952376
"1680772"	203.536788	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Na+K"	61.952376
"266815"	754.258168	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+ACN+Na"	64.015768
"1240860"	409.136968	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+ACN+Na"	64.015768
"1725978"	409.160493	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+NH4+HCOOH"	64.039293
"1193643"	138.029618	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+3Na"	68.967654
"1661955"	414.115888	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Na+HCOOH"	68.994688
"164439"	767.16144	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+2K-H"	76.91904
"607647"	1112.28264	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+2K-H"	76.91904
"1093981"	422.04024	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2K-H"	76.91904
"149704"	384.084358	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"2M+2K"	77.926316
"595221"	556.644958	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"3M+2K"	77.926316
"1081430"	211.523758	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2K"	77.926316
"1113426"	424.054792	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2K+H"	78.933592
"1349567"	424.142407	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+DMSO+H"	79.021207
"1018461"	428.181576	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2ACN+H"	83.060376
"1534399"	429.175208	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+IsoProp+Na+H"	84.054008
"1000847"	214.594426	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+2ACN+2H"	84.067652
"1600451"	430.089828	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+K+HCOOH"	84.968628
"1421371"	460.121338	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+H+CF3COOH"	115.000138
"1158954"	235.107701	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+3ACN+2H"	125.094202
"1701214"	477.147885	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+NH4+CF3COOH"	132.026685
"1639051"	482.10328	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+Na+CF3COOH"	136.98208
"1576889"	498.07722	"C08520"	"Candimine"	"C18H19NO6"	"345.1212"	"M+K+CF3COOH"	152.95602
"816257"	271.1208	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M"	0
"989586"	252.10241	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"74504"	179.739924	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"517959"	270.113524	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"887492"	89.366324	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"11536"	270.113524	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"451096"	405.673924	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"826711"	134.553124	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"88888"	541.234324	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"526260"	812.355124	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"904064"	270.113524	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"52971"	558.260871	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"500550"	829.381671	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"870334"	287.140071	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"33490"	563.216266	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"473421"	834.337066	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"851223"	292.095466	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1627319"	292.095466	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"99473"	288.101863	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"542316"	423.662263	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"940697"	152.541463	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"281199"	577.211002	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"673380"	848.331802	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1283596"	306.090202	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"26152"	579.190206	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"464615"	850.311006	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"840231"	308.069406	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1559344"	308.069406	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"949416"	316.118994	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"365443"	587.239801	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"351514"	601.255451	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1506545"	330.134651	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"970078"	338.100951	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"122267"	306.090202	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"558547"	441.650602	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1036744"	170.529802	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1248018"	350.039685	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1315934"	352.095672	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1330149"	374.077629	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"916106"	384.106386	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1297918"	420.083064	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1374986"	236.108124	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1394669"	254.1181	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"294356"	543.248876	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"684591"	814.369676	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1360940"	272.128076	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"132735"	272.128076	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"579955"	407.688476	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1046568"	136.567676	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"217387"	181.754476	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"657316"	272.128076	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1176168"	91.380876	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"436164"	560.275423	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"797529"	831.396223	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1693860"	289.154623	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"344331"	280.6413495	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"731279"	416.2017495	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1486193"	145.0809495	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"405966"	565.230818	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"765868"	836.351618	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1615058"	294.110018	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"325095"	283.119047	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"717516"	418.679447	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1474618"	147.558647	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1061300"	98.70819	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1266258"	304.154286	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"384833"	581.204758	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"741832"	852.325558	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1542791"	310.083958	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"308348"	291.106017	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"702229"	426.666417	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1452405"	155.545617	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"240279"	584.275426	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1212622"	313.154626	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1199784"	157.080951	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"200313"	587.21276	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"632219"	858.33356	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1137913"	316.09196	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"177922"	294.110018	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"620034"	429.670418	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1127917"	158.549618	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1410348"	106.035504	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1442466"	318.133546	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"234714"	299.14304	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1523632"	332.18559	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"422098"	302.096988	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"784551"	437.657388	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1678696"	166.536588	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"266198"	606.257368	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1241091"	335.136568	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1727547"	335.160093	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1193023"	113.362818	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1656958"	340.115488	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"163820"	619.16064	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"600102"	890.28144	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1088989"	348.03984	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"146898"	310.083958	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"587553"	445.644358	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1080082"	174.523558	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1112199"	350.054392	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1349193"	350.142007	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1018571"	354.181176	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1534874"	355.174808	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"1000227"	177.594226	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1598742"	356.089428	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1426949"	386.120938	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1153960"	198.107501	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1705698"	403.147485	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1635882"	408.10288	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1574815"	424.07682	"C08521"	"Caranine"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"809555"	326.163	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M"	0
"983089"	307.14461	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-H2O-H"	-19.01839
"75707"	216.434724	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M-3H"	-3.021828
"518525"	325.155724	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M-3H"	-3.021828
"887602"	107.713724	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-3H"	-3.021828
"12739"	325.155724	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M-2H"	-2.014552
"452299"	488.237224	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M-2H"	-2.014552
"821353"	162.074224	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-2H"	-2.014552
"84624"	651.318724	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M-H"	-1.007276
"525277"	977.481724	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M-H"	-1.007276
"904174"	325.155724	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-H"	-1.007276
"53081"	668.345271	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M-2H+NH4"	16.019271
"495920"	994.508271	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M-2H+NH4"	16.019271
"871536"	342.182271	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-2H+NH4"	16.019271
"42718"	673.300666	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M-2H+Na"	20.974666
"476809"	999.463666	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M-2H+Na"	20.974666
"852425"	347.137666	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-2H+Na"	20.974666
"1630709"	347.137666	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Na-2H"	20.974666
"99583"	343.144063	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M-H+Cl"	33.962126
"544613"	506.225563	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M-H+Cl"	33.962126
"938131"	180.062563	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-H+Cl"	33.962126
"281430"	687.295402	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+Cl"	34.969402
"673490"	1013.458402	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+Cl"	34.969402
"1286986"	361.132402	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Cl"	34.969402
"27355"	689.274606	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M-2H+K"	36.948606
"461445"	1015.437606	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M-2H+K"	36.948606
"841435"	363.111606	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-2H+K"	36.948606
"1562736"	363.111606	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+K-2H"	36.948606
"952806"	371.161194	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-H+HCOOH"	44.998194
"365553"	697.324201	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+HCOOH-H"	44.998201
"351624"	711.339851	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+Hac-H"	59.013851
"1507748"	385.176851	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Hac-H"	59.013851
"972010"	393.143151	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-H+NaCOOH"	66.980151
"124563"	361.132402	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+2Cl"	69.938804
"559750"	524.213902	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+2Cl"	69.938804
"1036451"	198.050902	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2Cl"	69.938804
"1248128"	405.081885	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Br"	78.918885
"1312763"	407.137872	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Cl+HCOOH"	80.974872
"1329166"	429.119829	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Cl+NaCOOH"	102.956829
"919132"	439.148586	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M-H+CF3COOH"	112.985586
"1300215"	475.125264	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Cl+CF3COOH"	148.962264
"1378376"	291.150324	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H-2H2O"	-35.012676
"1394779"	309.1603	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H-H2O"	-17.0027
"292279"	653.333276	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+H"	1.007276
"685794"	979.496276	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+H"	1.007276
"1362144"	327.170276	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H"	1.007276
"133938"	327.170276	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+2H"	2.014552
"577878"	490.251776	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+2H"	2.014552
"1047771"	164.088776	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2H"	2.014552
"213487"	218.449276	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+3H"	3.021828
"658881"	327.170276	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+3H"	3.021828
"1174820"	109.728276	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+3H"	3.021828
"435181"	670.359823	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+NH4"	18.033823
"799828"	996.522823	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+NH4"	18.033823
"1695063"	344.196823	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+NH4"	18.033823
"340061"	335.6835495	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+H+NH4"	19.041099
"733576"	498.7650495	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+H+NH4"	19.041099
"1490679"	172.6020495	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H+NH4"	19.041099
"407170"	675.315218	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+Na"	22.989218
"761604"	1001.478218	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+Na"	22.989218
"1615897"	349.152218	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Na"	22.989218
"328123"	338.161247	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+H+Na"	23.996494
"715439"	501.242747	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+H+Na"	23.996494
"1473635"	175.079747	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H+Na"	23.996494
"1062502"	117.05559	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2H+Na"	25.00377
"1266366"	359.196486	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+CH3OH+H"	33.033486
"384943"	691.289158	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+K"	38.963158
"743036"	1017.452158	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+K"	38.963158
"1546912"	365.126158	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+K"	38.963158
"306637"	346.148217	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+H+K"	39.970434
"705618"	509.229717	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+H+K"	39.970434
"1455795"	183.066717	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H+K"	39.970434
"245490"	694.359826	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+ACN+H"	42.033826
"1223302"	368.196826	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+ACN+H"	42.033826
"1202082"	184.602051	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+ACN+2H"	43.041102
"202246"	697.29716	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+2Na-H"	44.97116
"638888"	1023.46016	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+2Na-H"	44.97116
"1140209"	371.13416	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2Na-H"	44.97116
"179490"	349.152218	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+2Na"	45.978436
"621238"	512.233718	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+2Na"	45.978436
"1129484"	186.070718	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2Na"	45.978436
"1411189"	124.382904	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H+2Na"	46.985712
"1443304"	373.175746	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H+HCOOH"	47.012746
"234096"	354.18524	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+3H2O+2H"	56.04448
"1523618"	387.22779	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+IsoProp+H"	61.06479
"423545"	357.139188	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+Na+K"	61.952376
"784908"	520.220688	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+Na+K"	61.952376
"1680957"	194.057688	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Na+K"	61.952376
"266666"	716.341768	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+ACN+Na"	64.015768
"1240837"	390.178768	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+ACN+Na"	64.015768
"1726563"	390.202293	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+NH4+HCOOH"	64.039293
"1193373"	131.710218	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+3Na"	68.967654
"1665458"	395.157688	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Na+HCOOH"	68.994688
"162838"	729.24504	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+2K-H"	76.91904
"600576"	1055.40804	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+2K-H"	76.91904
"1090192"	403.08204	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2K-H"	76.91904
"147738"	365.126158	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"2M+2K"	77.926316
"589850"	528.207658	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"3M+2K"	77.926316
"1078371"	202.044658	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2K"	77.926316
"1111580"	405.096592	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2K+H"	78.933592
"1349059"	405.184207	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+DMSO+H"	79.021207
"1018318"	409.223376	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2ACN+H"	83.060376
"1534985"	410.217008	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+IsoProp+Na+H"	84.054008
"1002889"	205.115326	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+2ACN+2H"	84.067652
"1598122"	411.131628	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+K+HCOOH"	84.968628
"1427060"	441.163138	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+H+CF3COOH"	115.000138
"1152977"	225.628601	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+3ACN+2H"	125.094202
"1704715"	458.189685	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+NH4+CF3COOH"	132.026685
"1635263"	463.14508	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+Na+CF3COOH"	136.98208
"1577112"	479.11902	"C08522"	"Caribine"	"C19H22N2O3"	"326.163"	"M+K+CF3COOH"	152.95602
"812948"	303.1471	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M"	0
"988668"	284.12871	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-H2O-H"	-19.01839
"76550"	201.090790666667	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M-3H"	-3.021828
"515379"	302.139824	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M-3H"	-3.021828
"895046"	100.041757333333	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-3H"	-3.021828
"15119"	302.139824	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M-2H"	-2.014552
"453142"	453.713374	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M-2H"	-2.014552
"831185"	150.566274	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-2H"	-2.014552
"90932"	605.286924	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M-H"	-1.007276
"526483"	908.434024	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M-H"	-1.007276
"904283"	302.139824	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-H"	-1.007276
"56472"	622.313471	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M-2H+NH4"	16.019271
"498218"	925.460571	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M-2H+NH4"	16.019271
"870552"	319.166371	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-2H+NH4"	16.019271
"34077"	627.268866	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M-2H+Na"	20.974666
"479108"	930.415966	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M-2H+Na"	20.974666
"855818"	324.121766	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-2H+Na"	20.974666
"1628634"	324.121766	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Na-2H"	20.974666
"105164"	320.128163	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M-H+Cl"	33.962126
"549346"	471.701713	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M-H+Cl"	33.962126
"941286"	168.554613	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-H+Cl"	33.962126
"280810"	641.263602	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+Cl"	34.969402
"674935"	944.410702	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+Cl"	34.969402
"1286733"	338.116502	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Cl"	34.969402
"28554"	643.242806	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M-2H+K"	36.948606
"468845"	946.389906	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M-2H+K"	36.948606
"843366"	340.095706	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-2H+K"	36.948606
"1562844"	340.095706	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+K-2H"	36.948606
"950729"	348.145294	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-H+HCOOH"	44.998194
"367851"	651.292401	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+HCOOH-H"	44.998201
"353921"	665.308051	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+Hac-H"	59.013851
"1495099"	362.160951	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Hac-H"	59.013851
"965921"	370.127251	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-H+NaCOOH"	66.980151
"122488"	338.116502	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+2Cl"	69.938804
"559860"	489.690052	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+2Cl"	69.938804
"1029753"	186.542952	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2Cl"	69.938804
"1254436"	382.065985	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Br"	78.918885
"1309594"	384.121972	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Cl+HCOOH"	80.974872
"1325996"	406.103929	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Cl+NaCOOH"	102.956829
"919242"	416.132686	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M-H+CF3COOH"	112.985586
"1300325"	452.109364	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Cl+CF3COOH"	148.962264
"1377393"	268.134424	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H-2H2O"	-35.012676
"1396712"	286.1444	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H-H2O"	-17.0027
"290203"	607.301476	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+H"	1.007276
"685906"	910.448576	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+H"	1.007276
"1365535"	304.154376	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H"	1.007276
"135149"	304.154376	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+2H"	2.014552
"574708"	455.727926	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+2H"	2.014552
"1048978"	152.580826	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2H"	2.014552
"216881"	203.105342666667	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+3H"	3.021828
"654256"	304.154376	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+3H"	3.021828
"1171284"	102.056309333333	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+3H"	3.021828
"433465"	624.328023	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+NH4"	18.033823
"794469"	927.475123	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+NH4"	18.033823
"1691895"	321.180923	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+NH4"	18.033823
"343453"	312.6676495	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+H+NH4"	19.041099
"732593"	464.2411995	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+H+NH4"	19.041099
"1485319"	161.0940995	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H+NH4"	19.041099
"402906"	629.283418	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+Na"	22.989218
"760621"	932.430518	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+Na"	22.989218
"1610905"	326.136318	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Na"	22.989218
"322034"	315.145347	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+H+Na"	23.996494
"715549"	466.718897	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+H+Na"	23.996494
"1471556"	163.571797	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H+Na"	23.996494
"1062612"	109.383623333333	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2H+Na"	25.00377
"1267571"	336.180586	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+CH3OH+H"	33.033486
"381785"	645.257358	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+K"	38.963158
"746058"	948.404458	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+K"	38.963158
"1545922"	342.110258	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+K"	38.963158
"302372"	323.132317	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+H+K"	39.970434
"698801"	474.705867	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+H+K"	39.970434
"1452624"	171.558767	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H+K"	39.970434
"243411"	648.328026	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+ACN+H"	42.033826
"1212840"	345.180926	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+ACN+H"	42.033826
"1201099"	173.094101	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+ACN+2H"	43.041102
"191782"	651.26536	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+2Na-H"	44.97116
"634623"	954.41246	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+2Na-H"	44.97116
"1137035"	348.11826	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2Na-H"	44.97116
"176317"	326.136318	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+2Na"	45.978436
"617703"	477.709868	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+2Na"	45.978436
"1124490"	174.562768	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2Na"	45.978436
"1409108"	116.710937333333	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H+2Na"	46.985712
"1442316"	350.159846	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H+HCOOH"	47.012746
"233839"	331.16934	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+3H2O+2H"	56.04448
"1518980"	364.21189	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+IsoProp+H"	61.06479
"422687"	334.123288	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+Na+K"	61.952376
"784047"	485.696838	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+Na+K"	61.952376
"1679643"	182.549738	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Na+K"	61.952376
"266407"	670.309968	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+ACN+Na"	64.015768
"1239244"	367.162868	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+ACN+Na"	64.015768
"1726309"	367.186393	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+NH4+HCOOH"	64.039293
"1187288"	124.038251333333	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+3Na"	68.967654
"1657181"	372.141788	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Na+HCOOH"	68.994688
"166229"	683.21324	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+2K-H"	76.91904
"604696"	986.36034	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+2K-H"	76.91904
"1092488"	380.06614	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2K-H"	76.91904
"152219"	342.110258	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"2M+2K"	77.926316
"595427"	493.683808	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"3M+2K"	77.926316
"1081032"	190.536708	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2K"	77.926316
"1105494"	382.080692	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2K+H"	78.933592
"1345158"	382.168307	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+DMSO+H"	79.021207
"1014782"	386.207476	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2ACN+H"	83.060376
"1535092"	387.201108	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+IsoProp+Na+H"	84.054008
"998258"	193.607376	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+2ACN+2H"	84.067652
"1597134"	388.115728	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+K+HCOOH"	84.968628
"1422795"	418.147238	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+H+CF3COOH"	115.000138
"1154176"	214.120651	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+3ACN+2H"	125.094202
"1701541"	435.173785	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+NH4+CF3COOH"	132.026685
"1634765"	440.12918	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+Na+CF3COOH"	136.98208
"1576129"	456.10312	"C08523"	"Carinatine"	"C17H21NO4"	"303.1471"	"M+K+CF3COOH"	152.95602
"809775"	347.1369	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M"	0
"989144"	328.11851	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-H2O-H"	-19.01839
"77270"	230.417324	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M-3H"	-3.021828
"516949"	346.129624	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M-3H"	-3.021828
"894752"	114.705024	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-3H"	-3.021828
"15148"	346.129624	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M-2H"	-2.014552
"453615"	519.698074	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M-2H"	-2.014552
"832147"	172.561174	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-2H"	-2.014552
"93474"	693.266524	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M-H"	-1.007276
"526593"	1040.403424	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M-H"	-1.007276
"905486"	346.129624	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-H"	-1.007276
"55488"	710.293071	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M-2H+NH4"	16.019271
"497234"	1057.429971	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M-2H+NH4"	16.019271
"873943"	363.156171	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-2H+NH4"	16.019271
"35280"	715.248466	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M-2H+Na"	20.974666
"475937"	1062.385366	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M-2H+Na"	20.974666
"852648"	368.111566	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-2H+Na"	20.974666
"1628744"	368.111566	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Na-2H"	20.974666
"105274"	364.117963	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M-H+Cl"	33.962126
"545930"	537.686413	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M-H+Cl"	33.962126
"939452"	190.549513	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-H+Cl"	33.962126
"279828"	729.243202	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+Cl"	34.969402
"672249"	1076.380102	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+Cl"	34.969402
"1288059"	382.106302	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Cl"	34.969402
"27208"	731.222406	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M-2H+K"	36.948606
"467131"	1078.359306	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M-2H+K"	36.948606
"843841"	384.085506	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-2H+K"	36.948606
"1564048"	384.085506	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+K-2H"	36.948606
"947556"	392.135094	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-H+HCOOH"	44.998194
"366868"	739.272001	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+HCOOH-H"	44.998201
"351844"	753.287651	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+Hac-H"	59.013851
"1495209"	406.150751	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Hac-H"	59.013851
"960563"	414.117051	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-H+NaCOOH"	66.980151
"122598"	382.106302	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+2Cl"	69.938804
"561063"	555.674752	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+2Cl"	69.938804
"1030956"	208.537852	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2Cl"	69.938804
"1255640"	426.055785	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Br"	78.918885
"1314808"	428.111772	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Cl+HCOOH"	80.974872
"1326106"	450.093729	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Cl+NaCOOH"	102.956829
"922269"	460.122486	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M-H+CF3COOH"	112.985586
"1296061"	496.099164	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Cl+CF3COOH"	148.962264
"1374222"	312.124224	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H-2H2O"	-35.012676
"1387344"	330.1342	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H-H2O"	-17.0027
"287033"	695.281076	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+H"	1.007276
"681641"	1042.417976	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+H"	1.007276
"1357989"	348.144176	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H"	1.007276
"135260"	348.144176	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+2H"	2.014552
"573724"	521.712626	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+2H"	2.014552
"1047992"	174.575726	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2H"	2.014552
"216627"	232.431876	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+3H"	3.021828
"655097"	348.144176	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+3H"	3.021828
"1173583"	116.719576	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+3H"	3.021828
"433575"	712.307623	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+NH4"	18.033823
"793486"	1059.444523	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+NH4"	18.033823
"1693094"	365.170723	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+NH4"	18.033823
"341377"	356.6574495	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+H+NH4"	19.041099
"734890"	530.2258995	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+H+NH4"	19.041099
"1485429"	183.0889995	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H+NH4"	19.041099
"395361"	717.263018	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+Na"	22.989218
"766199"	1064.399918	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+Na"	22.989218
"1611016"	370.126118	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Na"	22.989218
"322145"	359.135147	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+H+Na"	23.996494
"715659"	532.703597	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+H+Na"	23.996494
"1471666"	185.566697	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H+Na"	23.996494
"1063816"	124.04689	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2H+Na"	25.00377
"1266588"	380.170386	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+CH3OH+H"	33.033486
"382987"	733.236958	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+K"	38.963158
"745076"	1080.373858	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+K"	38.963158
"1544940"	386.100058	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+K"	38.963158
"307586"	367.122117	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+H+K"	39.970434
"698911"	540.690567	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+H+K"	39.970434
"1452735"	193.553667	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H+K"	39.970434
"244617"	736.307626	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+ACN+H"	42.033826
"1211858"	389.170726	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+ACN+H"	42.033826
"1205583"	195.089001	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+ACN+2H"	43.041102
"197360"	739.24496	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+2Na-H"	44.97116
"633640"	1086.38186	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+2Na-H"	44.97116
"1135326"	392.10806	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2Na-H"	44.97116
"178253"	370.126118	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+2Na"	45.978436
"625106"	543.694568	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+2Na"	45.978436
"1123507"	196.557668	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2Na"	45.978436
"1411407"	131.374204	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H+2Na"	46.985712
"1443157"	394.149646	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H+HCOOH"	47.012746
"233222"	375.15914	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+3H2O+2H"	56.04448
"1522378"	408.20169	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+IsoProp+H"	61.06479
"421702"	378.113088	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+Na+K"	61.952376
"782333"	551.681538	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+Na+K"	61.952376
"1677936"	204.544638	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Na+K"	61.952376
"265789"	758.289568	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+ACN+Na"	64.015768
"1238623"	411.152668	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+ACN+Na"	64.015768
"1726416"	411.176193	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+NH4+HCOOH"	64.039293
"1185210"	138.701518	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+3Na"	68.967654
"1656195"	416.131588	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Na+HCOOH"	68.994688
"163059"	771.19284	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+2K-H"	76.91904
"603711"	1118.32974	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+2K-H"	76.91904
"1090412"	424.05594	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2K-H"	76.91904
"149416"	386.100058	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"2M+2K"	77.926316
"585696"	559.668508	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"3M+2K"	77.926316
"1075675"	212.531608	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2K"	77.926316
"1106698"	426.070492	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2K+H"	78.933592
"1344175"	426.158107	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+DMSO+H"	79.021207
"1015987"	430.197276	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2ACN+H"	83.060376
"1531922"	431.190908	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+IsoProp+Na+H"	84.054008
"995088"	215.602276	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+2ACN+2H"	84.067652
"1593965"	432.105528	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+K+HCOOH"	84.968628
"1420720"	462.137038	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+H+CF3COOH"	115.000138
"1154286"	236.115551	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+3ACN+2H"	125.094202
"1699829"	479.163585	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+NH4+CF3COOH"	132.026685
"1635118"	484.11898	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+Na+CF3COOH"	136.98208
"1576239"	500.09292	"C08524"	"Cavinine"	"C18H21NO6"	"347.1369"	"M+K+CF3COOH"	152.95602
"809885"	301.1314	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M"	0
"988524"	282.11301	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"69477"	199.746990666667	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"517423"	300.124124	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"893404"	99.3698573333333	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"11977"	300.124124	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"454212"	450.689824	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"831528"	149.558424	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"93463"	601.255524	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"529982"	902.386924	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"907782"	300.124124	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"55598"	618.282071	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"494064"	919.413471	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"871866"	317.150671	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"35390"	623.237466	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"477141"	924.368866	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"850569"	322.106066	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1628854"	322.106066	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"105384"	318.112463	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"544947"	468.678163	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"938469"	167.546763	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"277025"	637.232202	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"669443"	938.363602	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1285128"	336.100802	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"24402"	639.211406	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"461774"	940.342806	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"840671"	338.080006	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1563064"	338.080006	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"944750"	346.129594	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"365884"	647.261001	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"351953"	661.276651	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1494226"	360.145251	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"959580"	368.111551	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"122708"	336.100802	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"561174"	486.666502	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1032159"	185.535102	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1256114"	380.050285	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1315282"	382.106272	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1324393"	404.088229	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"921649"	414.116986	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1297264"	450.093664	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1373239"	266.118724	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1387454"	284.1287	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"290423"	603.270076	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"687219"	904.401476	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1363567"	302.138676	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"136463"	302.138676	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"572741"	452.704376	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1047009"	151.572976	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"216737"	201.761542666667	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"656300"	302.138676	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1172599"	101.384409333333	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"438061"	620.296623	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"795418"	921.428023	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1690657"	319.165223	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"340391"	310.6519495	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"734636"	461.2176495	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1486633"	160.0862495	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"397657"	625.252018	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"765946"	926.383418	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1611126"	324.120618	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"323349"	313.129647	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"715770"	463.695347	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1468498"	162.563947	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1066112"	108.711723333333	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1268885"	334.164886	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"388553"	641.225958	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"745186"	942.357358	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1545050"	340.094558	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"304415"	321.116617	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"699021"	471.682317	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1449564"	170.550917	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"242541"	644.296626	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1214155"	343.165226	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1203507"	172.086251	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"194191"	647.23396	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"632657"	948.36536	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1137625"	346.10256	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"177634"	324.120618	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"625945"	474.686318	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1126897"	173.554918	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1411639"	116.039037333333	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1443875"	348.144146	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"234303"	329.15364	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1521394"	362.19619	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"421448"	332.107588	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"783901"	482.673288	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1678775"	181.541888	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"265292"	666.278568	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1238733"	365.147168	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1724340"	365.170693	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1185320"	123.366351333333	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1656305"	370.126088	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"163167"	679.18184	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"602727"	980.31324	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1090522"	378.05044	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"147339"	340.094558	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"585805"	490.660258	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1075785"	189.528858	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1105715"	380.064992	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1343192"	380.152607	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1016096"	384.191776	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1535314"	385.185408	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"998480"	192.599526	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1594075"	386.100028	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1425201"	416.131538	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1157676"	213.112801	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1700668"	433.158085	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1635593"	438.11348	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1576349"	454.08742	"C08525"	"Crinamine;(3alpha5alpha11R13beta19alpha)-1 2-Didehydro-3-methoxycrinan-11-ol"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"809995"	287.1521	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M"	0
"986815"	268.13371	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-H2O-H"	-19.01839
"76152"	190.427457333333	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M-3H"	-3.021828
"517900"	286.144824	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M-3H"	-3.021828
"893150"	94.7100906666667	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-3H"	-3.021828
"14883"	286.144824	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M-2H"	-2.014552
"454199"	429.720874	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M-2H"	-2.014552
"830175"	142.568774	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-2H"	-2.014552
"93328"	573.296924	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M-H"	-1.007276
"530820"	860.449024	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M-H"	-1.007276
"904615"	286.144824	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-H"	-1.007276
"53523"	590.323471	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M-2H+NH4"	16.019271
"494174"	877.475571	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M-2H+NH4"	16.019271
"870883"	303.171371	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-2H+NH4"	16.019271
"34409"	595.278866	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M-2H+Na"	20.974666
"477251"	882.430966	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M-2H+Na"	20.974666
"851772"	308.126766	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-2H+Na"	20.974666
"1632124"	308.126766	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Na-2H"	20.974666
"107683"	304.133163	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M-H+Cl"	33.962126
"548219"	447.709213	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M-H+Cl"	33.962126
"938578"	160.557113	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-H+Cl"	33.962126
"280414"	609.273602	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+Cl"	34.969402
"671741"	896.425702	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+Cl"	34.969402
"1284144"	322.121502	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Cl"	34.969402
"26701"	611.252806	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M-2H+K"	36.948606
"467355"	898.404906	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M-2H+K"	36.948606
"844061"	324.100706	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-2H+K"	36.948606
"1560989"	324.100706	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+K-2H"	36.948606
"949965"	332.150294	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-H+HCOOH"	44.998194
"373284"	619.302401	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+HCOOH-H"	44.998201
"350972"	633.318051	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+Hac-H"	59.013851
"1499805"	346.165951	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Hac-H"	59.013851
"967347"	354.132251	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-H+NaCOOH"	66.980151
"123911"	322.121502	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+2Cl"	69.938804
"562378"	465.697552	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+2Cl"	69.938804
"1034094"	178.545452	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2Cl"	69.938804
"1248573"	366.070985	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Br"	78.918885
"1315394"	368.126972	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Cl+HCOOH"	80.974872
"1327422"	390.108929	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Cl+NaCOOH"	102.956829
"920668"	400.137686	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M-H+CF3COOH"	112.985586
"1298469"	436.114364	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Cl+CF3COOH"	148.962264
"1377724"	252.139424	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H-2H2O"	-35.012676
"1394125"	270.1494	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H-H2O"	-17.0027
"290533"	575.311476	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+H"	1.007276
"689154"	862.463576	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+H"	1.007276
"1365866"	288.159376	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H"	1.007276
"132200"	288.159376	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+2H"	2.014552
"570668"	431.735426	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+2H"	2.014552
"1047125"	144.583326	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2H"	2.014552
"215027"	192.442009333333	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+3H"	3.021828
"657866"	288.159376	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+3H"	3.021828
"1177086"	96.7246426666667	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+3H"	3.021828
"435991"	592.338023	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+NH4"	18.033823
"795893"	879.490123	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+NH4"	18.033823
"1692953"	305.185923	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+NH4"	18.033823
"341596"	296.6726495	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+H+NH4"	19.041099
"729644"	440.2486995	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+H+NH4"	19.041099
"1481275"	153.0965995	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H+NH4"	19.041099
"401050"	597.293418	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+Na"	22.989218
"765326"	884.445518	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+Na"	22.989218
"1613423"	310.141318	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Na"	22.989218
"323459"	299.150347	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+H+Na"	23.996494
"715881"	442.726397	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+H+Na"	23.996494
"1470795"	155.574297	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H+Na"	23.996494
"1066223"	104.051956666667	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2H+Na"	25.00377
"1270087"	320.185586	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+CH3OH+H"	33.033486
"391217"	613.267358	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+K"	38.963158
"748574"	900.419458	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+K"	38.963158
"1548441"	326.115258	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+K"	38.963158
"306710"	307.137317	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+H+K"	39.970434
"694762"	450.713367	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+H+K"	39.970434
"1450770"	163.561267	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H+K"	39.970434
"240464"	616.338026	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+ACN+H"	42.033826
"1213171"	329.185926	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+ACN+H"	42.033826
"1199242"	165.096601	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+ACN+2H"	43.041102
"196489"	619.27536	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+2Na-H"	44.97116
"631675"	906.42746	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+2Na-H"	44.97116
"1137371"	332.12326	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2Na-H"	44.97116
"182484"	310.141318	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+2Na"	45.978436
"624596"	453.717368	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+2Na"	45.978436
"1127010"	166.565268	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2Na"	45.978436
"1411264"	111.379270666667	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H+2Na"	46.985712
"1441554"	334.164846	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H+HCOOH"	47.012746
"234295"	315.17434	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+3H2O+2H"	56.04448
"1522721"	348.21689	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+IsoProp+H"	61.06479
"421922"	318.128288	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+Na+K"	61.952376
"780004"	461.704338	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+Na+K"	61.952376
"1679490"	174.552238	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Na+K"	61.952376
"265039"	638.319968	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+ACN+Na"	64.015768
"1236656"	351.167868	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+ACN+Na"	64.015768
"1724450"	351.191393	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+NH4+HCOOH"	64.039293
"1184337"	118.706584666667	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+3Na"	68.967654
"1653135"	356.146788	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Na+HCOOH"	68.994688
"164373"	651.22324	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+2K-H"	76.91904
"603931"	938.37534	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+2K-H"	76.91904
"1088445"	364.07114	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2K-H"	76.91904
"147448"	326.115258	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"2M+2K"	77.926316
"588099"	469.691308	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"3M+2K"	77.926316
"1073708"	182.539208	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2K"	77.926316
"1105822"	366.085692	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2K+H"	78.933592
"1340019"	366.173307	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+DMSO+H"	79.021207
"1014020"	370.212476	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2ACN+H"	83.060376
"1528862"	371.206108	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+IsoProp+Na+H"	84.054008
"996402"	185.609876	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+2ACN+2H"	84.067652
"1588717"	372.120728	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+K+HCOOH"	84.968628
"1427499"	402.152238	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+H+CF3COOH"	115.000138
"1157786"	206.123151	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+3ACN+2H"	125.094202
"1698954"	419.178785	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+NH4+CF3COOH"	132.026685
"1634972"	424.13418	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+Na+CF3COOH"	136.98208
"1576459"	440.10812	"C08526"	"Galanthamine;Galantamine"	"C17H21NO3"	"287.1521"	"M+K+CF3COOH"	152.95602
"810105"	301.1314	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M"	0
"989442"	282.11301	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"72976"	199.746990666667	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"517403"	300.124124	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"892533"	99.3698573333333	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"14265"	300.124124	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"452852"	450.689824	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"827371"	149.558424	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"87361"	601.255524	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"523642"	902.386924	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"900349"	300.124124	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"58733"	618.282071	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"491005"	919.413471	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"867714"	317.150671	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"37804"	623.237466	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"472136"	924.368866	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"849817"	322.106066	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1631265"	322.106066	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"106699"	318.112463	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"549179"	468.678163	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"938689"	167.546763	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"278338"	637.232202	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"670758"	938.363602	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1284255"	336.100802	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"27905"	639.211406	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"469288"	940.342806	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"843080"	338.080006	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1566568"	338.080006	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"954089"	346.129594	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"375951"	647.261001	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"359104"	661.276651	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1507211"	360.145251	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"973293"	368.111551	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"123657"	336.100802	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"563582"	486.666502	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1034203"	185.535102	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1249778"	380.050285	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1313319"	382.106272	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1328628"	404.088229	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"917499"	414.116986	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1298581"	450.093664	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1373462"	266.118724	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1390958"	284.1287	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"297209"	603.270076	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"688536"	904.401476	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1365612"	302.138676	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"133407"	302.138676	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"578437"	452.704376	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1050153"	151.572976	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"216231"	201.761542666667	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"655794"	302.138676	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1177080"	101.384409333333	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"438284"	620.296623	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"796003"	921.428023	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1691242"	319.165223	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"339519"	310.6519495	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"729754"	461.2176495	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1482480"	160.0862495	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"395688"	625.252018	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"755955"	926.383418	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1609157"	324.120618	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"320289"	313.129647	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"712711"	463.695347	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1469812"	162.563947	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1060869"	108.711723333333	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1269107"	334.164886	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"387683"	641.225958	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"746498"	942.357358	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1547460"	340.094558	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"302813"	321.116617	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"700338"	471.682317	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1449787"	170.550917	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"241666"	644.296626	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1217656"	343.165226	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1200449"	172.086251	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"195509"	647.23396	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"636163"	948.36536	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1139668"	346.10256	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"186974"	324.120618	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"625441"	474.686318	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1129437"	173.554918	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1412715"	116.039037333333	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1444344"	348.144146	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"234403"	329.15364	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1522589"	362.19619	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"422276"	332.107588	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"783760"	482.673288	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1678630"	181.541888	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"264424"	666.278568	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1236769"	365.147168	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1724560"	365.170693	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1188821"	123.366351333333	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1655435"	370.126088	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"162294"	679.18184	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"599667"	980.31324	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1087460"	378.05044	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"148650"	340.094558	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"586024"	490.660258	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1068501"	189.528858	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1104837"	380.064992	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1337212"	380.152607	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1017406"	384.191776	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1525079"	385.185408	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"991409"	192.599526	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1597576"	386.100028	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1423234"	416.131538	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1151337"	213.112801	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1699064"	433.158085	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1635082"	438.11348	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1576569"	454.08742	"C08527"	"Haemanthamine;Hemanthamine;(3beta5alpha11R13beta19alpha)-12-Didehydro-3-methoxycrinan-11-ol;()-Haemanthamine"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"813495"	315.1107	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M"	0
"977188"	296.09231	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-H2O-H"	-19.01839
"73084"	209.066524	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M-3H"	-3.021828
"513738"	314.103424	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M-3H"	-3.021828
"893369"	104.029624	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-3H"	-3.021828
"13038"	314.103424	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M-2H"	-2.014552
"453326"	471.658774	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M-2H"	-2.014552
"827481"	156.548074	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-2H"	-2.014552
"89658"	629.214124	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M-H"	-1.007276
"525938"	944.324824	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M-H"	-1.007276
"901552"	314.103424	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-H"	-1.007276
"56656"	646.240671	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M-2H+NH4"	16.019271
"491115"	961.351371	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M-2H+NH4"	16.019271
"866731"	331.129971	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-2H+NH4"	16.019271
"32443"	651.196066	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M-2H+Na"	20.974666
"474314"	966.306766	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M-2H+Na"	20.974666
"850899"	336.085366	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-2H+Na"	20.974666
"1629185"	336.085366	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Na-2H"	20.974666
"99154"	332.091763	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M-H+Cl"	33.962126
"549740"	489.647113	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M-H+Cl"	33.962126
"940985"	174.536413	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-H+Cl"	33.962126
"281607"	665.190802	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+Cl"	34.969402
"670868"	980.301502	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+Cl"	34.969402
"1287645"	350.080102	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Cl"	34.969402
"28015"	667.170006	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M-2H+K"	36.948606
"468668"	982.280706	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M-2H+K"	36.948606
"845377"	352.059306	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-2H+K"	36.948606
"1563398"	352.059306	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+K-2H"	36.948606
"957115"	360.108894	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-H+HCOOH"	44.998194
"374602"	675.219601	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+HCOOH-H"	44.998201
"359214"	689.235251	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+Hac-H"	59.013851
"1508093"	374.124551	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Hac-H"	59.013851
"973527"	382.090851	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-H+NaCOOH"	66.980151
"123767"	350.080102	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+2Cl"	69.938804
"563692"	507.635452	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+2Cl"	69.938804
"1036913"	192.524752	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2Cl"	69.938804
"1250981"	394.029585	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Br"	78.918885
"1314522"	396.085572	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Cl+HCOOH"	80.974872
"1329831"	418.067529	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Cl+NaCOOH"	102.956829
"917609"	428.096286	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M-H+CF3COOH"	112.985586
"1298691"	464.072964	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Cl+CF3COOH"	148.962264
"1374665"	280.098024	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H-2H2O"	-35.012676
"1392161"	298.108	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H-H2O"	-17.0027
"298502"	631.228676	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+H"	1.007276
"690832"	946.339376	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+H"	1.007276
"1364992"	316.117976	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H"	1.007276
"137890"	316.117976	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+2H"	2.014552
"577820"	473.673326	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+2H"	2.014552
"1049534"	158.562626	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2H"	2.014552
"217436"	211.081076	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+3H"	3.021828
"658091"	316.117976	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+3H"	3.021828
"1176946"	106.044176	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+3H"	3.021828
"439002"	648.255223	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+NH4"	18.033823
"797205"	963.365923	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+NH4"	18.033823
"1693537"	333.144523	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+NH4"	18.033823
"340722"	324.6312495	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+H+NH4"	19.041099
"733145"	482.1865995	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+H+NH4"	19.041099
"1480402"	167.0758995	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H+NH4"	19.041099
"397258"	653.210618	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+Na"	22.989218
"763356"	968.321318	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+Na"	22.989218
"1610361"	338.099918	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Na"	22.989218
"320399"	327.108947	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+H+Na"	23.996494
"715009"	484.664297	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+H+Na"	23.996494
"1471014"	169.553597	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H+Na"	23.996494
"1064258"	113.37149	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2H+Na"	25.00377
"1268853"	348.144186	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+CH3OH+H"	33.033486
"387792"	669.184558	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+K"	38.963158
"744420"	984.295258	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+K"	38.963158
"1548663"	354.073858	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+K"	38.963158
"302924"	335.095917	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+H+K"	39.970434
"703729"	492.651267	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+H+K"	39.970434
"1450990"	177.540567	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H+K"	39.970434
"241776"	672.255226	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+ACN+H"	42.033826
"1217766"	357.144526	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+ACN+H"	42.033826
"1200559"	179.075901	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+ACN+2H"	43.041102
"197806"	675.19256	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+2Na-H"	44.97116
"639554"	990.30326	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+2Na-H"	44.97116
"1138685"	360.08186	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2Na-H"	44.97116
"186355"	338.099918	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+2Na"	45.978436
"625915"	495.655268	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+2Na"	45.978436
"1130394"	180.544568	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2Na"	45.978436
"1413551"	120.698804	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H+2Na"	46.985712
"1443965"	362.123446	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H+HCOOH"	47.012746
"235365"	343.13294	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+3H2O+2H"	56.04448
"1519541"	376.17549	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+IsoProp+H"	61.06479
"421415"	346.086888	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+Na+K"	61.952376
"784602"	503.642238	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+Na+K"	61.952376
"1680806"	188.531538	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Na+K"	61.952376
"263078"	694.237168	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+ACN+Na"	64.015768
"1236880"	379.126468	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+ACN+Na"	64.015768
"1724674"	379.149993	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+NH4+HCOOH"	64.039293
"1191120"	128.026118	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+3Na"	68.967654
"1653358"	384.105388	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Na+HCOOH"	68.994688
"163499"	707.14044	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+2K-H"	76.91904
"603059"	1022.25114	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+2K-H"	76.91904
"1089759"	392.02974	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2K-H"	76.91904
"152043"	354.073858	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"2M+2K"	77.926316
"590506"	511.629208	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"3M+2K"	77.926316
"1072832"	196.518508	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2K"	77.926316
"1108231"	394.044292	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2K+H"	78.933592
"1341333"	394.131907	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+DMSO+H"	79.021207
"1017519"	398.171076	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2ACN+H"	83.060376
"1527987"	399.164708	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+IsoProp+Na+H"	84.054008
"996622"	199.589176	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+2ACN+2H"	84.067652
"1592221"	400.079328	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+K+HCOOH"	84.968628
"1423345"	430.110838	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+H+CF3COOH"	115.000138
"1153633"	220.102451	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+3ACN+2H"	125.094202
"1698081"	447.137385	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+NH4+CF3COOH"	132.026685
"1635555"	452.09278	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+Na+CF3COOH"	136.98208
"1576679"	468.06672	"C08528"	"Hippeastrine"	"C17H17NO5"	"315.1107"	"M+K+CF3COOH"	152.95602
"807046"	469.122	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M"	0
"977298"	450.10361	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-H2O-H"	-19.01839
"66634"	311.740724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M-3H"	-3.021828
"510568"	468.114724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M-3H"	-3.021828
"891657"	155.366724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-3H"	-3.021828
"8046"	468.114724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M-2H"	-2.014552
"450886"	702.675724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M-2H"	-2.014552
"826500"	233.553724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-2H"	-2.014552
"86490"	937.236724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M-H"	-1.007276
"529330"	1406.358724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M-H"	-1.007276
"907132"	468.114724	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-H"	-1.007276
"59319"	954.263271	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M-2H+NH4"	16.019271
"491226"	1423.385271	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M-2H+NH4"	16.019271
"869028"	485.141271	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-2H+NH4"	16.019271
"32189"	959.218666	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M-2H+Na"	20.974666
"472480"	1428.340666	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M-2H+Na"	20.974666
"849917"	490.096666	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-2H+Na"	20.974666
"1626015"	490.096666	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Na-2H"	20.974666
"99264"	486.103063	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M-H+Cl"	33.962126
"545386"	720.664063	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M-H+Cl"	33.962126
"941096"	251.542063	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-H+Cl"	33.962126
"281962"	973.213402	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+Cl"	34.969402
"673167"	1442.335402	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+Cl"	34.969402
"1286662"	504.091402	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Cl"	34.969402
"28127"	975.192606	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M-2H+K"	36.948606
"466593"	1444.314606	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M-2H+K"	36.948606
"848041"	506.070606	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-2H+K"	36.948606
"1568612"	506.070606	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+K-2H"	36.948606
"956497"	514.120194	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-H+HCOOH"	44.998194
"370701"	983.242201	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+HCOOH-H"	44.998201
"355678"	997.257851	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+Hac-H"	59.013851
"1503060"	528.135851	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Hac-H"	59.013851
"972786"	536.102151	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-H+NaCOOH"	66.980151
"123148"	504.091402	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+2Cl"	69.938804
"564169"	738.652402	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+2Cl"	69.938804
"1033695"	269.530402	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2Cl"	69.938804
"1252183"	548.040885	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Br"	78.918885
"1312449"	550.096872	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Cl+HCOOH"	80.974872
"1325571"	572.078829	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Cl+NaCOOH"	102.956829
"921001"	582.107586	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M-H+CF3COOH"	112.985586
"1298802"	618.084264	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Cl+CF3COOH"	148.962264
"1374775"	434.109324	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H-2H2O"	-35.012676
"1387898"	452.1193	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H-H2O"	-17.0027
"298158"	939.251276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+H"	1.007276
"688754"	1408.373276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+H"	1.007276
"1364738"	470.129276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H"	1.007276
"135814"	470.129276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+2H"	2.014552
"575379"	704.690276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+2H"	2.014552
"1049281"	235.568276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2H"	2.014552
"216452"	313.755276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+3H"	3.021828
"656747"	470.129276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+3H"	3.021828
"1170859"	157.381276	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+3H"	3.021828
"435226"	956.277823	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+NH4"	18.033823
"795128"	1425.399823	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+NH4"	18.033823
"1689274"	487.155823	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+NH4"	18.033823
"336459"	478.6425495	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+H+NH4"	19.041099
"732162"	713.2035495	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+H+NH4"	19.041099
"1479055"	244.0815495	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H+NH4"	19.041099
"394695"	961.233218	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+Na"	22.989218
"759094"	1430.355218	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+Na"	22.989218
"1608284"	492.111218	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Na"	22.989218
"318323"	481.120247	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+H+Na"	23.996494
"712930"	715.681247	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+H+Na"	23.996494
"1474400"	246.559247	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H+Na"	23.996494
"1062179"	164.70859	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2H+Na"	25.00377
"1268959"	502.155486	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+CH3OH+H"	33.033486
"385713"	977.207158	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+K"	38.963158
"744530"	1446.329158	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+K"	38.963158
"1550959"	508.085158	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+K"	38.963158
"310324"	489.107217	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+H+K"	39.970434
"701650"	723.668217	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+H+K"	39.970434
"1448181"	254.546217	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H+K"	39.970434
"241886"	980.277826	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+ACN+H"	42.033826
"1215690"	511.155826	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+ACN+H"	42.033826
"1205047"	256.081551	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+ACN+2H"	43.041102
"196824"	983.21516	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+2Na-H"	44.97116
"643635"	1452.33716	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+2Na-H"	44.97116
"1143905"	514.09316	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2Na-H"	44.97116
"186830"	492.111218	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+2Na"	45.978436
"626025"	726.672218	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+2Na"	45.978436
"1129530"	257.550218	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2Na"	45.978436
"1411962"	172.035904	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H+2Na"	46.985712
"1445430"	516.134746	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H+HCOOH"	47.012746
"234382"	497.14424	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+3H2O+2H"	56.04448
"1522566"	530.18679	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+IsoProp+H"	61.06479
"421523"	500.098188	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+Na+K"	61.952376
"784587"	734.659188	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+Na+K"	61.952376
"1681204"	265.537188	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Na+K"	61.952376
"264281"	1002.259768	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+ACN+Na"	64.015768
"1235898"	533.137768	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+ACN+Na"	64.015768
"1718221"	533.161293	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+NH4+HCOOH"	64.039293
"1184668"	179.363218	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+3Na"	68.967654
"1654561"	538.116688	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Na+HCOOH"	68.994688
"162148"	1015.16304	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+2K-H"	76.91904
"604264"	1484.28504	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+2K-H"	76.91904
"1089867"	546.04104	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2K-H"	76.91904
"149964"	508.085158	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"2M+2K"	77.926316
"585149"	742.646158	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"3M+2K"	77.926316
"1071120"	273.524158	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2K"	77.926316
"1102264"	548.055592	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2K+H"	78.933592
"1345818"	548.143207	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+DMSO+H"	79.021207
"1018357"	552.182376	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2ACN+H"	83.060376
"1530285"	553.176008	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+IsoProp+Na+H"	84.054008
"993087"	276.594826	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+2ACN+2H"	84.067652
"1592333"	554.090628	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+K+HCOOH"	84.968628
"1422362"	584.122138	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+H+CF3COOH"	115.000138
"1151562"	297.108101	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+3ACN+2H"	125.094202
"1700019"	601.148685	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+NH4+CF3COOH"	132.026685
"1640044"	606.10408	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+Na+CF3COOH"	136.98208
"1586630"	622.07802	"C08529"	"Kalbreclasine"	"C20H23NO12"	"469.122"	"M+K+CF3COOH"	152.95602
"812622"	317.1627	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M"	0
"980688"	298.14431	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-H2O-H"	-19.01839
"73305"	210.434524	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M-3H"	-3.021828
"510679"	316.155424	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M-3H"	-3.021828
"890677"	104.713624	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-3H"	-3.021828
"13016"	316.155424	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M-2H"	-2.014552
"452090"	474.736774	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M-2H"	-2.014552
"829890"	157.574074	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-2H"	-2.014552
"87693"	633.318124	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M-H"	-1.007276
"531264"	950.480824	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M-H"	-1.007276
"907242"	316.155424	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-H"	-1.007276
"59430"	650.344671	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M-2H+NH4"	16.019271
"494617"	967.507371	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M-2H+NH4"	16.019271
"873513"	333.181971	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-2H+NH4"	16.019271
"34850"	655.300066	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M-2H+Na"	20.974666
"480974"	972.462766	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M-2H+Na"	20.974666
"852579"	338.137366	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-2H+Na"	20.974666
"1626125"	338.137366	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Na-2H"	20.974666
"102655"	334.143763	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M-H+Cl"	33.962126
"543308"	492.725113	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M-H+Cl"	33.962126
"939019"	175.562413	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-H+Cl"	33.962126
"280853"	669.294802	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+Cl"	34.969402
"671087"	986.457502	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+Cl"	34.969402
"1282399"	352.132102	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Cl"	34.969402
"24955"	671.274006	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M-2H+K"	36.948606
"463421"	988.436706	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M-2H+K"	36.948606
"844505"	354.111306	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-2H+K"	36.948606
"1566899"	354.111306	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+K-2H"	36.948606
"956241"	362.160894	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-H+HCOOH"	44.998194
"370811"	679.323601	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+HCOOH-H"	44.998201
"355788"	693.339251	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+Hac-H"	59.013851
"1504992"	376.176551	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Hac-H"	59.013851
"971074"	384.142851	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-H+NaCOOH"	66.980151
"123258"	352.132102	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+2Cl"	69.938804
"563551"	510.713452	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+2Cl"	69.938804
"1032712"	193.550752	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2Cl"	69.938804
"1250106"	396.081585	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Br"	78.918885
"1310371"	398.137572	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Cl+HCOOH"	80.974872
"1327867"	420.119529	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Cl+NaCOOH"	102.956829
"921111"	430.148286	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M-H+CF3COOH"	112.985586
"1298912"	466.124964	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Cl+CF3COOH"	148.962264
"1374885"	282.150024	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H-2H2O"	-35.012676
"1388008"	300.16	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H-H2O"	-17.0027
"298267"	635.332676	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+H"	1.007276
"688500"	952.495376	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+H"	1.007276
"1358651"	318.169976	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H"	1.007276
"137019"	318.169976	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+2H"	2.014552
"578406"	476.751326	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+2H"	2.014552
"1048297"	159.588626	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2H"	2.014552
"213281"	212.449076	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+3H"	3.021828
"656493"	318.169976	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+3H"	3.021828
"1175710"	106.728176	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+3H"	3.021828
"437524"	652.359223	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+NH4"	18.033823
"797790"	969.521923	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+NH4"	18.033823
"1693756"	335.196523	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+NH4"	18.033823
"342762"	326.6832495	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+H+NH4"	19.041099
"730084"	485.2645995	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+H+NH4"	19.041099
"1483905"	168.1018995	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H+NH4"	19.041099
"398209"	657.314618	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+Na"	22.989218
"760297"	974.477318	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+Na"	22.989218
"1607301"	340.151918	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Na"	22.989218
"320620"	329.160947	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+H+Na"	23.996494
"713041"	487.742297	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+H+Na"	23.996494
"1473417"	170.579597	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H+Na"	23.996494
"1066298"	114.05549	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2H+Na"	25.00377
"1263966"	350.196186	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+CH3OH+H"	33.033486
"385823"	673.288558	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+K"	38.963158
"744640"	990.451258	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+K"	38.963158
"1552164"	356.125858	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+K"	38.963158
"308248"	337.147917	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+H+K"	39.970434
"701761"	495.729267	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+H+K"	39.970434
"1450114"	178.566567	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H+K"	39.970434
"241996"	676.359226	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+ACN+H"	42.033826
"1216895"	359.196526	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+ACN+H"	42.033826
"1207344"	180.101901	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+ACN+2H"	43.041102
"203824"	679.29656	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+2Na-H"	44.97116
"642692"	996.45926	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+2Na-H"	44.97116
"1144990"	362.13386	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2Na-H"	44.97116
"185119"	340.151918	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+2Na"	45.978436
"624680"	498.733268	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+2Na"	45.978436
"1128548"	181.570568	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2Na"	45.978436
"1412438"	121.382804	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H+2Na"	46.985712
"1444188"	364.175446	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H+HCOOH"	47.012746
"234612"	345.18494	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+3H2O+2H"	56.04448
"1520854"	378.22749	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+IsoProp+H"	61.06479
"421633"	348.138888	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+Na+K"	61.952376
"784817"	506.720238	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+Na+K"	61.952376
"1680988"	189.557538	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Na+K"	61.952376
"266820"	698.341168	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+ACN+Na"	64.015768
"1237101"	381.178468	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+ACN+Na"	64.015768
"1721611"	381.201993	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+NH4+HCOOH"	64.039293
"1188059"	128.710118	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+3Na"	68.967654
"1655767"	386.157388	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Na+HCOOH"	68.994688
"160802"	711.24444	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+2K-H"	76.91904
"600117"	1028.40714	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+2K-H"	76.91904
"1088884"	394.08174	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2K-H"	76.91904
"151170"	356.125858	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"2M+2K"	77.926316
"587448"	514.707208	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"3M+2K"	77.926316
"1070866"	197.544508	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2K"	77.926316
"1103346"	396.096292	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2K+H"	78.933592
"1349210"	396.183907	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+DMSO+H"	79.021207
"1016646"	400.223076	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2ACN+H"	83.060376
"1532582"	401.216708	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+IsoProp+Na+H"	84.054008
"993562"	200.615176	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+2ACN+2H"	84.067652
"1592443"	402.131328	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+K+HCOOH"	84.968628
"1422473"	432.162838	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+H+CF3COOH"	115.000138
"1152765"	221.128451	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+3ACN+2H"	125.094202
"1700129"	449.189385	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+NH4+CF3COOH"	132.026685
"1640154"	454.14478	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+Na+CF3COOH"	136.98208
"1576899"	470.11872	"C08530"	"Lycorenine"	"C18H23NO4"	"317.1627"	"M+K+CF3COOH"	152.95602
"813825"	291.0743	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M"	0
"980798"	272.05591	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-H2O-H"	-19.01839
"72323"	193.042257333333	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M-3H"	-3.021828
"507509"	290.067024	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M-3H"	-3.021828
"891871"	96.0174906666667	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-3H"	-3.021828
"13368"	290.067024	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M-2H"	-2.014552
"447826"	435.604174	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M-2H"	-2.014552
"826719"	144.529874	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-2H"	-2.014552
"84523"	581.141324	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M-H"	-1.007276
"522990"	872.215624	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M-H"	-1.007276
"908445"	290.067024	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-H"	-1.007276
"61121"	598.167871	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M-2H+NH4"	16.019271
"494727"	889.242171	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M-2H+NH4"	16.019271
"875809"	307.093571	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-2H+NH4"	16.019271
"32650"	603.123266	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M-2H+Na"	20.974666
"473429"	894.197566	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M-2H+Na"	20.974666
"852322"	312.048966	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-2H+Na"	20.974666
"1626235"	312.048966	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Na-2H"	20.974666
"101672"	308.055363	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M-H+Cl"	33.962126
"543418"	453.592513	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M-H+Cl"	33.962126
"940222"	162.518213	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-H+Cl"	33.962126
"280599"	617.118002	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+Cl"	34.969402
"671197"	908.192302	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+Cl"	34.969402
"1283602"	326.043702	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Cl"	34.969402
"23972"	619.097206	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M-2H+K"	36.948606
"464625"	910.171506	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M-2H+K"	36.948606
"843521"	328.022906	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-2H+K"	36.948606
"1563729"	328.022906	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+K-2H"	36.948606
"950519"	336.072494	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-H+HCOOH"	44.998194
"369828"	627.146801	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+HCOOH-H"	44.998201
"351525"	641.162451	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+Hac-H"	59.013851
"1504735"	350.088151	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Hac-H"	59.013851
"968633"	358.054451	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-H+NaCOOH"	66.980151
"121182"	326.043702	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+2Cl"	69.938804
"559652"	471.580852	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+2Cl"	69.938804
"1032822"	180.506552	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2Cl"	69.938804
"1249123"	369.993185	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Br"	78.918885
"1310480"	372.049172	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Cl+HCOOH"	80.974872
"1329068"	394.031129	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Cl+NaCOOH"	102.956829
"917938"	404.059886	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M-H+CF3COOH"	112.985586
"1299022"	440.036564	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Cl+CF3COOH"	148.962264
"1371715"	256.061624	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H-2H2O"	-35.012676
"1387025"	274.0716	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H-H2O"	-17.0027
"295827"	583.155876	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+H"	1.007276
"686788"	874.230176	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+H"	1.007276
"1358761"	292.081576	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H"	1.007276
"136036"	292.081576	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+2H"	2.014552
"575238"	437.618726	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+2H"	2.014552
"1051323"	146.544426	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2H"	2.014552
"215578"	195.056809333333	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+3H"	3.021828
"656603"	292.081576	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+3H"	3.021828
"1175820"	98.0320426666667	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+3H"	3.021828
"436906"	600.182423	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+NH4"	18.033823
"796445"	891.256723	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+NH4"	18.033823
"1690588"	309.108123	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+NH4"	18.033823
"339961"	300.5948495	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+H+NH4"	19.041099
"731287"	446.1319995	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+H+NH4"	19.041099
"1484015"	155.0576995	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H+NH4"	19.041099
"398319"	605.137818	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+Na"	22.989218
"762595"	896.212118	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+Na"	22.989218
"1608505"	314.063518	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Na"	22.989218
"320732"	303.072547	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+H+Na"	23.996494
"715338"	448.609697	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+H+Na"	23.996494
"1474257"	157.535397	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H+Na"	23.996494
"1065316"	105.359356666667	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2H+Na"	25.00377
"1264076"	324.107786	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+CH3OH+H"	33.033486
"385933"	621.111758	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+K"	38.963158
"744750"	912.186058	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+K"	38.963158
"1552274"	330.037458	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+K"	38.963158
"307265"	311.059517	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+H+K"	39.970434
"704059"	456.596667	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+H+K"	39.970434
"1449858"	165.522367	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H+K"	39.970434
"242106"	624.182426	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+ACN+H"	42.033826
"1217005"	333.108126	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+ACN+H"	42.033826
"1204174"	167.057701	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+ACN+2H"	43.041102
"202879"	627.11976	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+2Na-H"	44.97116
"642073"	918.19406	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+2Na-H"	44.97116
"1143033"	336.04546	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2Na-H"	44.97116
"185958"	314.063518	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+2Na"	45.978436
"624062"	459.600668	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+2Na"	45.978436
"1126475"	168.526368	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2Na"	45.978436
"1410725"	112.686670666667	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H+2Na"	46.985712
"1442841"	338.087046	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H+HCOOH"	47.012746
"230716"	319.09654	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+3H2O+2H"	56.04448
"1518779"	352.13909	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+IsoProp+H"	61.06479
"421743"	322.050488	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+Na+K"	61.952376
"784928"	467.587638	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+Na+K"	61.952376
"1680164"	176.513338	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Na+K"	61.952376
"265593"	646.164368	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+ACN+Na"	64.015768
"1238303"	355.090068	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+ACN+Na"	64.015768
"1725005"	355.113593	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+NH4+HCOOH"	64.039293
"1189264"	120.013984666667	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+3Na"	68.967654
"1655877"	360.068988	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Na+HCOOH"	68.994688
"160546"	659.06764	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+2K-H"	76.91904
"600105"	950.14194	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+2K-H"	76.91904
"1088268"	367.99334	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2K-H"	76.91904
"149092"	330.037458	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"2M+2K"	77.926316
"586829"	475.574608	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"3M+2K"	77.926316
"1070247"	184.500308	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2K"	77.926316
"1103092"	370.007892	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2K+H"	78.933592
"1339477"	370.095507	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+DMSO+H"	79.021207
"1014569"	374.134676	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2ACN+H"	83.060376
"1529411"	375.128308	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+IsoProp+Na+H"	84.054008
"993672"	187.570976	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+2ACN+2H"	84.067652
"1592552"	376.042928	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+K+HCOOH"	84.968628
"1423676"	406.074438	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+H+CF3COOH"	115.000138
"1149594"	208.084251	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+3ACN+2H"	125.094202
"1700236"	423.100985	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+NH4+CF3COOH"	132.026685
"1640264"	428.05638	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+Na+CF3COOH"	136.98208
"1577009"	444.03032	"C08531"	"Lycoricidine"	"C14H13NO6"	"291.0743"	"M+K+CF3COOH"	152.95602
"813935"	287.1158	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M"	0
"984188"	268.09741	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"77535"	190.403257333333	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"514179"	286.108524	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"891981"	94.6979906666667	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"14818"	286.108524	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"453404"	429.666424	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"829016"	142.550624	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"92286"	573.224324	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"533961"	860.340124	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"911236"	286.108524	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"62610"	590.250871	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"498117"	877.366671	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"879284"	303.135071	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"35435"	595.206266	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"477914"	882.322066	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"852066"	308.090466	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1626344"	308.090466	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"103969"	304.096863	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"543528"	447.654763	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"942037"	160.538963	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"279980"	609.201002	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"671307"	896.316802	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1284805"	322.085202	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"27362"	611.180206	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"466922"	898.296006	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"843631"	324.064406	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1567119"	324.064406	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"949536"	332.113994	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"371031"	619.229801	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"352728"	633.245451	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1504845"	346.129651	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"969107"	354.095951	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"118013"	322.085202	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"559761"	465.643102	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1030746"	178.527302	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1248141"	366.034685	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1313871"	368.090672	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1325897"	390.072629	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"918048"	400.101386	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1291839"	436.078064	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1371825"	252.103124	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1388228"	270.1131	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"295207"	575.238876	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"687264"	862.354676	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1358871"	288.123076	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"136513"	288.123076	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"572427"	431.680976	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1048883"	144.565176	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"217150"	192.417809333333	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"658778"	288.123076	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1177993"	96.7125426666667	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"436651"	592.265423	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"798742"	879.381223	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1695070"	305.149623	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"344080"	296.6363495	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"733584"	440.1942495	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1485218"	153.0784495	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"399522"	597.220818	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"764891"	884.336618	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1611897"	310.105018	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"325215"	299.114047	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"718364"	442.671947	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1476070"	155.556147	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1066155"	104.039856666667	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1270385"	320.149286	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"386043"	613.194758	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"752515"	900.310558	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1553478"	326.078958	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"309560"	307.101017	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"702710"	450.658917	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1451790"	163.543117	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"243311"	616.265426	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1214929"	329.149626	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1200997"	165.078451	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"199342"	619.20276	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"633435"	906.31856	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1141315"	332.08696	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"183877"	310.105018	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"624531"	453.662918	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1127310"	166.547118	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1410833"	111.367170666667	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1440032"	334.128546	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"232646"	315.13804	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1521073"	348.18059	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"419669"	318.091988	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"780665"	461.649888	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1673717"	174.534088	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"261695"	638.247368	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1232948"	351.131568	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1720741"	351.155093	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1189375"	118.694484666667	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1653431"	356.110488	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"160291"	651.15064	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"600579"	938.26644	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1091293"	364.03484	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"151386"	326.078958	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"588030"	469.636858	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1074366"	182.521058	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1107575"	366.049392	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1342868"	366.137007	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1014678"	370.176176	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1529521"	371.169808	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"995969"	185.591726	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1590474"	372.084428	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1418321"	402.115938	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1151889"	206.105001	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1699253"	419.142485	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1640374"	424.09788	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1577119"	440.07182	"C08532"	"Lycorine"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"807486"	307.0692	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M"	0
"985393"	288.05081	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-H2O-H"	-19.01839
"70355"	203.705524	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M-3H"	-3.021828
"509916"	306.061924	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M-3H"	-3.021828
"889905"	101.349124	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-3H"	-3.021828
"15694"	306.061924	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M-2H"	-2.014552
"452416"	459.596524	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M-2H"	-2.014552
"830219"	152.527324	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-2H"	-2.014552
"86930"	613.131124	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M-H"	-1.007276
"523210"	920.200324	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M-H"	-1.007276
"906478"	306.061924	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-H"	-1.007276
"61826"	630.157671	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M-2H+NH4"	16.019271
"494947"	937.226871	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M-2H+NH4"	16.019271
"876029"	323.088471	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-2H+NH4"	16.019271
"34088"	635.113066	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M-2H+Na"	20.974666
"475837"	942.182266	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M-2H+Na"	20.974666
"851812"	328.043866	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-2H+Na"	20.974666
"1623174"	328.043866	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Na-2H"	20.974666
"99704"	324.050263	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M-H+Cl"	33.962126
"542545"	477.584863	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M-H+Cl"	33.962126
"942514"	170.515663	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-H+Cl"	33.962126
"280090"	649.107802	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+Cl"	34.969402
"670324"	956.177002	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+Cl"	34.969402
"1286008"	342.038602	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Cl"	34.969402
"26379"	651.087006	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M-2H+K"	36.948606
"467032"	958.156206	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M-2H+K"	36.948606
"846657"	344.017806	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-2H+K"	36.948606
"1567229"	344.017806	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+K-2H"	36.948606
"949646"	352.067394	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-H+HCOOH"	44.998194
"371141"	659.136601	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+HCOOH-H"	44.998201
"352838"	673.152251	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+Hac-H"	59.013851
"1503862"	366.083051	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Hac-H"	59.013851
"969217"	374.049351	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-H+NaCOOH"	66.980151
"120309"	342.038602	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+2Cl"	69.938804
"559871"	495.573202	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+2Cl"	69.938804
"1031949"	188.504002	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2Cl"	69.938804
"1247157"	385.988085	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Br"	78.918885
"1310701"	388.044072	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Cl+HCOOH"	80.974872
"1326007"	410.026029	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Cl+NaCOOH"	102.956829
"918158"	420.054786	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M-H+CF3COOH"	112.985586
"1292678"	456.031464	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Cl+CF3COOH"	148.962264
"1371935"	272.056524	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H-2H2O"	-35.012676
"1388338"	290.0665	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H-H2O"	-17.0027
"293495"	615.145676	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+H"	1.007276
"685913"	922.214876	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+H"	1.007276
"1358981"	308.076476	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H"	1.007276
"131521"	308.076476	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+2H"	2.014552
"573268"	461.611076	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+2H"	2.014552
"1045711"	154.541876	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2H"	2.014552
"213612"	205.720076	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+3H"	3.021828
"650984"	308.076476	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+3H"	3.021828
"1177010"	103.363676	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+3H"	3.021828
"437851"	632.172223	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+NH4"	18.033823
"798485"	939.241423	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+NH4"	18.033823
"1692266"	325.103023	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+NH4"	18.033823
"342728"	316.5897495	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+H+NH4"	19.041099
"732602"	470.1243495	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+H+NH4"	19.041099
"1485328"	163.0551495	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H+NH4"	19.041099
"399634"	637.127618	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+Na"	22.989218
"763907"	944.196818	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+Na"	22.989218
"1609820"	330.058418	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Na"	22.989218
"323138"	319.067447	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+H+Na"	23.996494
"719933"	472.602047	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+H+Na"	23.996494
"1475935"	165.532847	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H+Na"	23.996494
"1065900"	110.69099	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2H+Na"	25.00377
"1269766"	340.102686	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+CH3OH+H"	33.033486
"380686"	653.101558	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+K"	38.963158
"752260"	960.170758	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+K"	38.963158
"1550308"	346.032358	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+K"	38.963158
"306391"	327.054417	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+H+K"	39.970434
"700998"	480.589017	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+H+K"	39.970434
"1448984"	173.519817	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H+K"	39.970434
"240501"	656.172226	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+ACN+H"	42.033826
"1216131"	349.103026	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+ACN+H"	42.033826
"1202203"	175.055151	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+ACN+2H"	43.041102
"201639"	659.10956	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+2Na-H"	44.97116
"635731"	966.17876	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+2Na-H"	44.97116
"1139238"	352.04036	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2Na-H"	44.97116
"182528"	330.058418	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+2Na"	45.978436
"618809"	483.593018	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+2Na"	45.978436
"1126326"	176.523818	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2Na"	45.978436
"1408026"	118.018304	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H+2Na"	46.985712
"1441235"	354.081946	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H+HCOOH"	47.012746
"232754"	335.09144	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+3H2O+2H"	56.04448
"1520090"	368.13399	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+IsoProp+H"	61.06479
"417589"	338.045388	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+Na+K"	61.952376
"779315"	491.579988	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+Na+K"	61.952376
"1674553"	184.510788	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Na+K"	61.952376
"259251"	678.154168	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+ACN+Na"	64.015768
"1230505"	371.084968	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+ACN+Na"	64.015768
"1719758"	371.108493	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+NH4+HCOOH"	64.039293
"1182924"	125.345618	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+3Na"	68.967654
"1653542"	376.063888	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Na+HCOOH"	68.994688
"157849"	691.05744	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+2K-H"	76.91904
"598868"	998.12664	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+2K-H"	76.91904
"1088123"	383.98824	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2K-H"	76.91904
"148216"	346.032358	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"2M+2K"	77.926316
"582427"	499.566958	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"3M+2K"	77.926316
"1071560"	192.497758	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2K"	77.926316
"1104408"	386.002792	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2K+H"	78.933592
"1338603"	386.090407	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+DMSO+H"	79.021207
"1012600"	390.129576	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2ACN+H"	83.060376
"1526717"	391.123208	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+IsoProp+Na+H"	84.054008
"991341"	195.568426	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+2ACN+2H"	84.067652
"1588033"	392.037828	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+K+HCOOH"	84.968628
"1420619"	422.069338	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+H+CF3COOH"	115.000138
"1147625"	216.081701	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+3ACN+2H"	125.094202
"1699366"	439.095885	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+NH4+CF3COOH"	132.026685
"1642672"	444.05128	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+Na+CF3COOH"	136.98208
"1577229"	460.02522	"C08533"	"Narciclasine"	"C14H13NO7"	"307.0692"	"M+K+CF3COOH"	152.95602
"807596"	285.1365	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M"	0
"985503"	266.11811	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"75934"	189.083724	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"514401"	284.129224	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"885640"	94.038224	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"13699"	284.129224	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"453622"	426.697474	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"831060"	141.560974	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"93359"	569.265724	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"527694"	854.402224	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"902216"	284.129224	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"55497"	586.292271	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"498338"	871.428771	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"870672"	301.155771	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"33469"	591.247666	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"475581"	876.384166	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"855937"	306.111166	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1623284"	306.111166	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"98721"	302.117563	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"540469"	444.685813	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"942255"	159.549313	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"281296"	605.242402	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"673716"	890.378902	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1286128"	320.105902	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"28679"	607.221606	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"470430"	892.358106	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"846044"	322.085106	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1565158"	322.085106	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"951946"	330.134694	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"367976"	615.271201	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"355140"	629.286851	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1505066"	344.150351	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"969328"	352.116651	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"120421"	320.105902	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"559982"	462.674152	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1033154"	177.537652	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1247267"	364.055385	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1310811"	366.111372	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1326117"	388.093329	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"914989"	398.122086	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1293882"	434.098764	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1376420"	250.123824	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1388448"	268.1338	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"292512"	571.280276	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"683837"	856.416776	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1362375"	286.143776	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"133088"	286.143776	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"575200"	428.712026	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1045821"	143.575526	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"215909"	191.098276	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"651094"	286.143776	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1175784"	96.052776	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"437961"	588.306823	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"797501"	873.443323	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1692741"	303.170323	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"342473"	294.6570495	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"733804"	437.2252995	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1486531"	152.0887995	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"396462"	593.262218	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"757458"	878.398718	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1612118"	308.125718	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"324342"	297.134747	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"720772"	439.702997	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1474590"	154.566497	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1063095"	103.38009	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1267325"	318.169986	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"382983"	609.236158	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"752370"	894.372658	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1552606"	324.099658	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"303221"	305.121717	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"697829"	447.689967	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1450555"	162.553467	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"245721"	612.306826	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1217334"	327.170326	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1203410"	164.088801	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"201750"	615.24416	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"641309"	900.38066	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1145181"	330.10766	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"182638"	308.125718	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"621107"	450.693968	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1127532"	165.557468	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1411784"	110.707404	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1441712"	332.149246	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"232866"	313.15874	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1519106"	346.20129	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"417701"	316.112688	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"777602"	458.680938	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1672841"	173.544438	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"261913"	634.288768	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1233893"	349.152268	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1718774"	349.175793	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1184127"	118.034718	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1651098"	354.131188	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"159420"	647.19204	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"597436"	932.32854	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1091514"	362.05554	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"147234"	324.099658	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"584608"	466.667908	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1071671"	181.531408	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1103423"	364.070092	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1338713"	364.157707	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1008336"	368.196876	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1527558"	369.190508	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"990356"	184.602076	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1592883"	370.105128	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1415626"	400.136638	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1152111"	205.115351	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1706036"	417.163185	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1646062"	422.11858	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1577339"	438.09252	"C08534"	"Narwedine;(-)-Narwedine;Galanthaminone"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"813172"	325.0798	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M"	0
"976134"	306.06141	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-H2O-H"	-19.01839
"70574"	215.712590666667	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M-3H"	-3.021828
"510136"	324.072524	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M-3H"	-3.021828
"885750"	107.352657333333	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-3H"	-3.021828
"13446"	324.072524	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M-2H"	-2.014552
"454827"	486.612424	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M-2H"	-2.014552
"831415"	161.532624	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-2H"	-2.014552
"92134"	649.152324	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M-H"	-1.007276
"529991"	974.232124	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M-H"	-1.007276
"905607"	324.072524	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-H"	-1.007276
"55607"	666.178871	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M-2H+NH4"	16.019271
"498447"	991.258671	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M-2H+NH4"	16.019271
"875156"	341.099071	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-2H+NH4"	16.019271
"35402"	671.134266	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M-2H+Na"	20.974666
"478244"	996.214066	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M-2H+Na"	20.974666
"850942"	346.054466	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-2H+Na"	20.974666
"1623760"	346.054466	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Na-2H"	20.974666
"102114"	342.060863	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M-H+Cl"	33.962126
"539487"	504.600763	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M-H+Cl"	33.962126
"941881"	179.520963	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-H+Cl"	33.962126
"280680"	685.129002	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+Cl"	34.969402
"674921"	1010.208802	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+Cl"	34.969402
"1287573"	360.049202	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Cl"	34.969402
"30615"	687.108206	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M-2H+K"	36.948606
"470176"	1012.188006	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M-2H+K"	36.948606
"847248"	362.028406	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-2H+K"	36.948606
"1564176"	362.028406	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+K-2H"	36.948606
"952056"	370.077994	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-H+HCOOH"	44.998194
"373554"	695.157801	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+HCOOH-H"	44.998201
"355250"	709.173451	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+Hac-H"	59.013851
"1501896"	384.093651	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Hac-H"	59.013851
"972597"	392.059951	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-H+NaCOOH"	66.980151
"119437"	360.049202	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+2Cl"	69.938804
"561185"	522.589102	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+2Cl"	69.938804
"1032171"	197.509302	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2Cl"	69.938804
"1246283"	403.998685	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Br"	78.918885
"1309827"	406.054672	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Cl+HCOOH"	80.974872
"1322947"	428.036629	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Cl+NaCOOH"	102.956829
"915099"	438.065386	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M-H+CF3COOH"	112.985586
"1293992"	474.042064	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Cl+CF3COOH"	148.962264
"1372153"	290.067124	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H-2H2O"	-35.012676
"1388558"	308.0771	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H-H2O"	-17.0027
"293715"	651.166876	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+H"	1.007276
"686133"	976.246676	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+H"	1.007276
"1364671"	326.087076	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H"	1.007276
"133563"	326.087076	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+2H"	2.014552
"574947"	488.626976	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+2H"	2.014552
"1044838"	163.547176	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2H"	2.014552
"214926"	217.727142666667	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+3H"	3.021828
"651204"	326.087076	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+3H"	3.021828
"1173708"	109.367209333333	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+3H"	3.021828
"434792"	668.193423	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+NH4"	18.033823
"793603"	993.273223	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+NH4"	18.033823
"1689936"	343.113623	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+NH4"	18.033823
"340032"	334.6003495	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+H+NH4"	19.041099
"730632"	497.1402495	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+H+NH4"	19.041099
"1482268"	172.0604495	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H+NH4"	19.041099
"394383"	673.148818	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+Na"	22.989218
"755015"	998.228618	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+Na"	22.989218
"1610042"	348.069018	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Na"	22.989218
"320078"	337.078047	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+H+Na"	23.996494
"716872"	499.617947	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+H+Na"	23.996494
"1467407"	174.538147	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H+Na"	23.996494
"1056642"	116.694523333333	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2H+Na"	25.00377
"1257387"	358.113286	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+CH3OH+H"	33.033486
"377420"	689.122758	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+K"	38.963158
"746284"	1014.202558	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+K"	38.963158
"1550892"	364.042958	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+K"	38.963158
"304423"	345.065017	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+H+K"	39.970434
"700853"	507.604917	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+H+K"	39.970434
"1451758"	182.525117	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H+K"	39.970434
"243643"	692.193426	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+ACN+H"	42.033826
"1216350"	367.113626	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+ACN+H"	42.033826
"1205704"	184.060451	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+ACN+2H"	43.041102
"201496"	695.13076	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+2Na-H"	44.97116
"641055"	1020.21056	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+2Na-H"	44.97116
"1144565"	370.05096	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2Na-H"	44.97116
"185666"	348.069018	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+2Na"	45.978436
"617936"	510.608918	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+2Na"	45.978436
"1128005"	185.529118	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2Na"	45.978436
"1409342"	124.021837333333	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H+2Na"	46.985712
"1441822"	372.092546	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H+HCOOH"	47.012746
"232612"	353.10204	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+3H2O+2H"	56.04448
"1518123"	386.14459	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+IsoProp+H"	61.06479
"419996"	356.055988	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+Na+K"	61.952376
"778806"	518.595888	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+Na+K"	61.952376
"1674045"	193.516088	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Na+K"	61.952376
"263117"	714.175368	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+ACN+Na"	64.015768
"1234733"	389.095568	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+ACN+Na"	64.015768
"1721799"	389.119093	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+NH4+HCOOH"	64.039293
"1187519"	131.349151333333	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+3Na"	68.967654
"1654129"	394.074488	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Na+HCOOH"	68.994688
"159896"	727.07864	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+2K-H"	76.91904
"597386"	1052.15844	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+2K-H"	76.91904
"1085422"	401.99884	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2K-H"	76.91904
"145159"	364.042958	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"2M+2K"	77.926316
"582896"	526.582858	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"3M+2K"	77.926316
"1072510"	201.503058	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2K"	77.926316
"1104628"	404.013392	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2K+H"	78.933592
"1339920"	404.101007	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+DMSO+H"	79.021207
"1009543"	408.140176	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2ACN+H"	83.060376
"1530950"	409.133808	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+IsoProp+Na+H"	84.054008
"991563"	204.573726	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+2ACN+2H"	84.067652
"1591900"	410.048428	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+K+HCOOH"	84.968628
"1419746"	440.079938	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+H+CF3COOH"	115.000138
"1155502"	225.087001	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+3ACN+2H"	125.094202
"1708333"	457.106485	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+NH4+CF3COOH"	132.026685
"1646172"	462.06188	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+Na+CF3COOH"	136.98208
"1577449"	478.03582	"C08535"	"Pancratistatin"	"C14H15NO8"	"325.0798"	"M+K+CF3COOH"	152.95602
"813282"	331.142	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M"	0
"975029"	312.12361	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-H2O-H"	-19.01839
"73964"	219.754057333333	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M-3H"	-3.021828
"509149"	330.134724	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M-3H"	-3.021828
"885860"	109.373390666667	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-3H"	-3.021828
"15256"	330.134724	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M-2H"	-2.014552
"454938"	495.705724	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M-2H"	-2.014552
"831525"	164.563724	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-2H"	-2.014552
"91635"	661.276724	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M-H"	-1.007276
"530101"	992.418724	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M-H"	-1.007276
"903530"	330.134724	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-H"	-1.007276
"55716"	678.303271	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M-2H+NH4"	16.019271
"495276"	1009.445271	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M-2H+NH4"	16.019271
"876358"	347.161271	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-2H+NH4"	16.019271
"33688"	683.258666	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M-2H+Na"	20.974666
"473613"	1014.400666	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M-2H+Na"	20.974666
"851416"	352.116666	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-2H+Na"	20.974666
"1623506"	352.116666	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Na-2H"	20.974666
"100037"	348.123063	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M-H+Cl"	33.962126
"541783"	513.694063	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M-H+Cl"	33.962126
"940778"	182.552063	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-H+Cl"	33.962126
"280669"	697.253402	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+Cl"	34.969402
"674063"	1028.395402	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+Cl"	34.969402
"1286344"	366.111402	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Cl"	34.969402
"29876"	699.232606	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M-2H+K"	36.948606
"469194"	1030.374606	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M-2H+K"	36.948606
"845172"	368.090606	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-2H+K"	36.948606
"1564286"	368.090606	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+K-2H"	36.948606
"951073"	376.140194	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-H+HCOOH"	44.998194
"372571"	707.282201	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+HCOOH-H"	44.998201
"355360"	721.297851	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+Hac-H"	59.013851
"1502006"	390.155851	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Hac-H"	59.013851
"969548"	398.122151	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-H+NaCOOH"	66.980151
"118453"	366.111402	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+2Cl"	69.938804
"560202"	531.682402	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+2Cl"	69.938804
"1032280"	200.540402	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2Cl"	69.938804
"1246394"	410.060885	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Br"	78.918885
"1312124"	412.116872	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Cl+HCOOH"	80.974872
"1323057"	434.098829	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Cl+NaCOOH"	102.956829
"918489"	444.127586	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M-H+CF3COOH"	112.985586
"1294102"	480.104264	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Cl+CF3COOH"	148.962264
"1371170"	296.129324	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H-2H2O"	-35.012676
"1395228"	314.1393	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H-H2O"	-17.0027
"293825"	663.291276	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+H"	1.007276
"682964"	994.433276	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+H"	1.007276
"1362595"	332.149276	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H"	1.007276
"134393"	332.149276	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+2H"	2.014552
"576149"	497.720276	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+2H"	2.014552
"1044948"	166.578276	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2H"	2.014552
"212850"	221.768609333333	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+3H"	3.021828
"652408"	332.149276	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+3H"	3.021828
"1173818"	111.387942666667	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+3H"	3.021828
"434902"	680.317823	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+NH4"	18.033823
"793713"	1011.459823	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+NH4"	18.033823
"1689682"	349.175823	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+NH4"	18.033823
"337958"	340.6625495	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+H+NH4"	19.041099
"728557"	506.2335495	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+H+NH4"	19.041099
"1479098"	175.0915495	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H+NH4"	19.041099
"395951"	685.273218	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+Na"	22.989218
"757676"	1016.415218	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+Na"	22.989218
"1607965"	354.131218	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Na"	22.989218
"322376"	343.140247	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+H+Na"	23.996494
"715890"	508.711247	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+H+Na"	23.996494
"1469703"	177.569247	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H+Na"	23.996494
"1058574"	118.715256666667	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2H+Na"	25.00377
"1258430"	364.175486	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+CH3OH+H"	33.033486
"379192"	701.247158	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+K"	38.963158
"750039"	1032.389158	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+K"	38.963158
"1549908"	370.105158	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+K"	38.963158
"310365"	351.127217	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+H+K"	39.970434
"699139"	516.698217	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+H+K"	39.970434
"1450774"	185.556217	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H+K"	39.970434
"240469"	704.317826	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+ACN+H"	42.033826
"1213542"	373.175826	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+ACN+H"	42.033826
"1199249"	187.091551	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+ACN+2H"	43.041102
"200151"	707.25516	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+2Na-H"	44.97116
"640801"	1038.39716	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+2Na-H"	44.97116
"1142484"	376.11316	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2Na-H"	44.97116
"184320"	354.131218	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+2Na"	45.978436
"621327"	519.702218	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+2Na"	45.978436
"1127022"	188.560218	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2Na"	45.978436
"1409453"	126.042570666667	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H+2Na"	46.985712
"1441204"	378.154746	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H+HCOOH"	47.012746
"230898"	359.16424	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+3H2O+2H"	56.04448
"1518233"	392.20679	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+IsoProp+H"	61.06479
"417920"	362.118188	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+Na+K"	61.952376
"780736"	527.689188	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+Na+K"	61.952376
"1676341"	196.547188	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Na+K"	61.952376
"262861"	726.299768	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+ACN+Na"	64.015768
"1235936"	395.157768	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+ACN+Na"	64.015768
"1723001"	395.181293	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+NH4+HCOOH"	64.039293
"1188721"	133.369884666667	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+3Na"	68.967654
"1656425"	400.136688	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Na+HCOOH"	68.994688
"164378"	739.20304	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+2K-H"	76.91904
"597372"	1070.34504	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+2K-H"	76.91904
"1084560"	408.06104	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2K-H"	76.91904
"143082"	370.105158	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"2M+2K"	77.926316
"584830"	535.676158	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"3M+2K"	77.926316
"1070799"	204.534158	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2K"	77.926316
"1104738"	410.075592	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2K+H"	78.933592
"1340029"	410.163207	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+DMSO+H"	79.021207
"1008560"	414.202376	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2ACN+H"	83.060376
"1532153"	415.196008	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+IsoProp+Na+H"	84.054008
"992403"	207.604826	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+2ACN+2H"	84.067652
"1593103"	416.110628	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+K+HCOOH"	84.968628
"1419856"	446.142138	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+H+CF3COOH"	115.000138
"1154519"	228.118101	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+3ACN+2H"	125.094202
"1708443"	463.168685	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+NH4+CF3COOH"	132.026685
"1646282"	468.12408	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+Na+CF3COOH"	136.98208
"1577559"	484.09802	"C08536"	"Pretazettine"	"C18H21NO5"	"331.142"	"M+K+CF3COOH"	152.95602
"814485"	726.1756	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M"	0
"980365"	707.15721	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-H2O-H"	-19.01839
"76262"	483.109790666667	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M-3H"	-3.021828
"511447"	725.168324	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M-3H"	-3.021828
"888157"	241.051257333333	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-3H"	-3.021828
"11107"	725.168324	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M-2H"	-2.014552
"455291"	1088.256124	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M-2H"	-2.014552
"832486"	362.080524	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-2H"	-2.014552
"94250"	1451.343924	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M-H"	-1.007276
"533983"	2177.519524	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M-H"	-1.007276
"906921"	725.168324	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-H"	-1.007276
"56921"	1468.370471	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M-2H+NH4"	16.019271
"498667"	2194.546071	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M-2H+NH4"	16.019271
"872096"	742.194871	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-2H+NH4"	16.019271
"33919"	1473.325866	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M-2H+Na"	20.974666
"473723"	2199.501466	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M-2H+Na"	20.974666
"852619"	747.150266	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-2H+Na"	20.974666
"1626896"	747.150266	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Na-2H"	20.974666
"100147"	743.156663	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M-H+Cl"	33.962126
"540800"	1106.244463	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M-H+Cl"	33.962126
"941011"	380.068863	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-H+Cl"	33.962126
"280177"	1487.320602	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+Cl"	34.969402
"673324"	2213.496202	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+Cl"	34.969402
"1286822"	761.145002	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Cl"	34.969402
"30832"	1489.299806	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M-2H+K"	36.948606
"468941"	2215.475406	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M-2H+K"	36.948606
"845280"	763.124206	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-2H+K"	36.948606
"1566584"	763.124206	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+K-2H"	36.948606
"953372"	771.173794	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-H+HCOOH"	44.998194
"373775"	1497.349401	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+HCOOH-H"	44.998201
"357656"	1511.365051	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+Hac-H"	59.013851
"1503209"	785.189451	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Hac-H"	59.013851
"970752"	793.155751	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-H+NaCOOH"	66.980151
"119658"	761.145002	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+2Cl"	69.938804
"561406"	1124.232802	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+2Cl"	69.938804
"1034580"	398.057202	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2Cl"	69.938804
"1251971"	805.094485	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Br"	78.918885
"1312598"	807.150472	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Cl+HCOOH"	80.974872
"1326447"	829.132429	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Cl+NaCOOH"	102.956829
"919695"	839.161186	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M-H+CF3COOH"	112.985586
"1296400"	875.137864	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Cl+CF3COOH"	148.962264
"1375655"	691.162924	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H-2H2O"	-35.012676
"1392059"	709.1729	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H-H2O"	-17.0027
"293935"	1453.358476	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+H"	1.007276
"680888"	2179.534076	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+H"	1.007276
"1362706"	727.182876	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H"	1.007276
"133410"	727.182876	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+2H"	2.014552
"575166"	1090.270676	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+2H"	2.014552
"1042872"	364.095076	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2H"	2.014552
"211867"	485.124342666667	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+3H"	3.021828
"652517"	727.182876	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+3H"	3.021828
"1173928"	243.065809333333	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+3H"	3.021828
"435012"	1470.385023	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+NH4"	18.033823
"793823"	2196.560623	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+NH4"	18.033823
"1693073"	744.209423	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+NH4"	18.033823
"342805"	735.6961495	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+H+NH4"	19.041099
"732678"	1098.7839495	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+H+NH4"	19.041099
"1487957"	372.6083495	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H+NH4"	19.041099
"400074"	1475.340418	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+Na"	22.989218
"761068"	2201.516018	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+Na"	22.989218
"1610260"	749.164818	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Na"	22.989218
"321391"	738.173847	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+H+Na"	23.996494
"718187"	1101.261647	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+H+Na"	23.996494
"1472001"	375.086047	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H+Na"	23.996494
"1060872"	250.393123333333	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2H+Na"	25.00377
"1259999"	759.209086	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+CH3OH+H"	33.033486
"381125"	1491.314358	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+K"	38.963158
"751972"	2217.489958	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+K"	38.963158
"1552934"	765.138758	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+K"	38.963158
"310109"	746.160817	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+H+K"	39.970434
"702167"	1109.248617	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+H+K"	39.970434
"1456350"	383.073017	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H+K"	39.970434
"244955"	1494.385026	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+ACN+H"	42.033826
"1219852"	768.209426	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+ACN+H"	42.033826
"1203736"	384.608351	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+ACN+2H"	43.041102
"200261"	1497.32236	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+2Na-H"	44.97116
"642372"	2223.49796	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+2Na-H"	44.97116
"1140771"	771.14676	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2Na-H"	44.97116
"185161"	749.164818	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+2Na"	45.978436
"625451"	1112.252618	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+2Na"	45.978436
"1126037"	386.077018	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2Na"	45.978436
"1412116"	257.720437333333	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H+2Na"	46.985712
"1442408"	773.188346	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H+HCOOH"	47.012746
"232834"	754.19784	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+3H2O+2H"	56.04448
"1522719"	787.24039	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+IsoProp+H"	61.06479
"421675"	757.151788	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+Na+K"	61.952376
"782305"	1120.239588	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+Na+K"	61.952376
"1676451"	394.063988	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Na+K"	61.952376
"265156"	1516.366968	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+ACN+Na"	64.015768
"1237870"	790.191368	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+ACN+Na"	64.015768
"1725299"	790.214893	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+NH4+HCOOH"	64.039293
"1191382"	265.047751333333	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+3Na"	68.967654
"1660911"	795.170288	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Na+HCOOH"	68.994688
"169957"	1529.27024	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+2K-H"	76.91904
"602959"	2255.44584	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+2K-H"	76.91904
"1090751"	803.09464	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2K-H"	76.91904
"149752"	765.138758	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"2M+2K"	77.926316
"591502"	1128.226558	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"3M+2K"	77.926316
"1080386"	402.050958	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2K"	77.926316
"1111409"	805.109192	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2K+H"	78.933592
"1342329"	805.196807	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+DMSO+H"	79.021207
"1007577"	809.235976	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2ACN+H"	83.060376
"1534449"	810.229608	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+IsoProp+Na+H"	84.054008
"997616"	405.121626	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+2ACN+2H"	84.067652
"1593214"	811.144228	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+K+HCOOH"	84.968628
"1426528"	841.175738	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+H+CF3COOH"	115.000138
"1154628"	425.634901	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+3ACN+2H"	125.094202
"1699805"	858.202285	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+NH4+CF3COOH"	132.026685
"1643110"	863.15768	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+Na+CF3COOH"	136.98208
"1577669"	879.13162	"C08537"	"Amaranthin"	"C30H34N2O19"	"726.1756"	"M+K+CF3COOH"	152.95602
"815691"	211.0481	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M"	0
"988128"	192.02971	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-H2O-H"	-19.01839
"76371"	139.691457333333	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M-3H"	-3.021828
"514837"	210.040824	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M-3H"	-3.021828
"891550"	69.3420906666667	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-3H"	-3.021828
"13404"	210.040824	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M-2H"	-2.014552
"452964"	315.564874	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M-2H"	-2.014552
"832029"	104.516774	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-2H"	-2.014552
"91854"	421.088924	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M-H"	-1.007276
"532877"	632.137024	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M-H"	-1.007276
"904844"	210.040824	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-H"	-1.007276
"55936"	438.115471	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M-2H+NH4"	16.019271
"492216"	649.163571	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M-2H+NH4"	16.019271
"868558"	227.067371	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-2H+NH4"	16.019271
"33176"	443.070866	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M-2H+Na"	20.974666
"472736"	654.118966	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M-2H+Na"	20.974666
"850541"	232.022766	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-2H+Na"	20.974666
"1630285"	232.022766	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Na-2H"	20.974666
"101350"	228.029163	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M-H+Cl"	33.962126
"542003"	333.553213	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M-H+Cl"	33.962126
"940273"	122.505113	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-H+Cl"	33.962126
"281622"	457.065602	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+Cl"	34.969402
"671603"	668.113702	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+Cl"	34.969402
"1285843"	246.017502	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Cl"	34.969402
"30579"	459.044806	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M-2H+K"	36.948606
"468323"	670.092906	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M-2H+K"	36.948606
"843204"	247.996706	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-2H+K"	36.948606
"1568882"	247.996706	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+K-2H"	36.948606
"954576"	256.046294	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-H+HCOOH"	44.998194
"373886"	467.094401	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+HCOOH-H"	44.998201
"354486"	481.110051	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+Hac-H"	59.013851
"1506599"	270.061951	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Hac-H"	59.013851
"972322"	278.028251	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-H+NaCOOH"	66.980151
"121955"	246.017502	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+2Cl"	69.938804
"563703"	351.541552	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+2Cl"	69.938804
"1035784"	140.493452	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2Cl"	69.938804
"1253174"	289.966985	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Br"	78.918885
"1317446"	292.022972	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Cl+HCOOH"	80.974872
"1326557"	314.004929	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Cl+NaCOOH"	102.956829
"924542"	324.033686	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M-H+CF3COOH"	112.985586
"1299790"	360.010364	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Cl+CF3COOH"	148.962264
"1379045"	176.035424	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H-2H2O"	-35.012676
"1392168"	194.0454	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H-H2O"	-17.0027
"294045"	423.103476	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+H"	1.007276
"686463"	634.151576	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+H"	1.007276
"1363545"	212.055376	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H"	1.007276
"135708"	212.055376	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+2H"	2.014552
"574183"	317.579426	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+2H"	2.014552
"1044075"	106.531326	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2H"	2.014552
"214163"	141.706009333333	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+3H"	3.021828
"653722"	212.055376	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+3H"	3.021828
"1172944"	71.3566426666667	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+3H"	3.021828
"435122"	440.130023	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+NH4"	18.033823
"795026"	651.178123	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+NH4"	18.033823
"1693547"	229.081923	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+NH4"	18.033823
"342551"	220.5686495	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+H+NH4"	19.041099
"733153"	326.0926995	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+H+NH4"	19.041099
"1489160"	115.0445995	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H+NH4"	19.041099
"400185"	445.085418	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+Na"	22.989218
"758991"	656.133518	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+Na"	22.989218
"1611465"	234.037318	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Na"	22.989218
"323687"	223.046347	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+H+Na"	23.996494
"721944"	328.570397	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+H+Na"	23.996494
"1472113"	117.522297	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H+Na"	23.996494
"1063170"	78.6839566666667	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2H+Na"	25.00377
"1261568"	244.081586	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+CH3OH+H"	33.033486
"383422"	461.059358	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+K"	38.963158
"753177"	672.107458	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+K"	38.963158
"1554501"	250.011258	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+K"	38.963158
"309127"	231.033317	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+H+K"	39.970434
"705194"	336.557367	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+H+K"	39.970434
"1455367"	125.509267	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H+K"	39.970434
"243973"	464.130026	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+ACN+H"	42.033826
"1213405"	253.081926	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+ACN+H"	42.033826
"1199474"	127.044601	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+ACN+2H"	43.041102
"202436"	467.06736	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+2Na-H"	44.97116
"642847"	678.11546	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+2Na-H"	44.97116
"1143068"	256.01926	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2Na-H"	44.97116
"185999"	234.037318	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+2Na"	45.978436
"622641"	339.561368	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+2Na"	45.978436
"1126147"	128.513268	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2Na"	45.978436
"1411497"	86.0112706666667	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H+2Na"	46.985712
"1442882"	258.060846	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H+HCOOH"	47.012746
"233306"	239.07034	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+3H2O+2H"	56.04448
"1520640"	272.11289	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+IsoProp+H"	61.06479
"420327"	242.024288	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+Na+K"	61.952376
"783505"	347.548338	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+Na+K"	61.952376
"1676562"	136.500238	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Na+K"	61.952376
"263079"	486.111968	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+ACN+Na"	64.015768
"1236886"	275.063868	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+ACN+Na"	64.015768
"1723222"	275.087393	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+NH4+HCOOH"	64.039293
"1189668"	93.3385846666667	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+3Na"	68.967654
"1657741"	280.042788	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Na+HCOOH"	68.994688
"163507"	499.01524	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+2K-H"	76.91904
"597965"	710.06334	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+2K-H"	76.91904
"1085394"	287.96714	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2K-H"	76.91904
"142574"	250.011258	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"2M+2K"	77.926316
"583959"	355.535308	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"3M+2K"	77.926316
"1073209"	144.487208	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2K"	77.926316
"1104959"	289.981692	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2K+H"	78.933592
"1338794"	290.069307	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+DMSO+H"	79.021207
"1007687"	294.108476	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2ACN+H"	83.060376
"1529092"	295.102108	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+IsoProp+Na+H"	84.054008
"994446"	147.557876	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+2ACN+2H"	84.067652
"1591136"	296.016728	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+K+HCOOH"	84.968628
"1420076"	326.048238	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+H+CF3COOH"	115.000138
"1150363"	168.071151	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+3ACN+2H"	125.094202
"1701008"	343.074785	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+NH4+CF3COOH"	132.026685
"1638845"	348.03018	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+Na+CF3COOH"	136.98208
"1574499"	364.00412	"C08538"	"Betalamic acid"	"C9H9NO5"	"211.0481"	"M+K+CF3COOH"	152.95602
"813612"	388.0907	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M"	0
"981678"	369.07231	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-H2O-H"	-19.01839
"74294"	257.719857333333	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M-3H"	-3.021828
"511667"	387.083424	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M-3H"	-3.021828
"889469"	128.356290666667	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-3H"	-3.021828
"12420"	387.083424	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M-2H"	-2.014552
"451981"	581.128774	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M-2H"	-2.014552
"827597"	193.038074	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-2H"	-2.014552
"90871"	775.174124	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M-H"	-1.007276
"532620"	1163.264824	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M-H"	-1.007276
"902766"	387.083424	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-H"	-1.007276
"52766"	792.200671	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M-2H+NH4"	16.019271
"491233"	1180.291371	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M-2H+NH4"	16.019271
"868668"	404.109971	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-2H+NH4"	16.019271
"32196"	797.156066	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M-2H+Na"	20.974666
"472848"	1185.246766	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M-2H+Na"	20.974666
"849111"	409.065366	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-2H+Na"	20.974666
"1627115"	409.065366	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Na-2H"	20.974666
"102553"	405.071763	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M-H+Cl"	33.962126
"541020"	599.117113	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M-H+Cl"	33.962126
"941473"	211.026413	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-H+Cl"	33.962126
"281366"	811.150802	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+Cl"	34.969402
"672807"	1199.241502	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+Cl"	34.969402
"1287163"	423.060102	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Cl"	34.969402
"30324"	813.130006	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M-2H+K"	36.948606
"466602"	1201.220706	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M-2H+K"	36.948606
"843314"	425.039306	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-2H+K"	36.948606
"1569721"	425.039306	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+K-2H"	36.948606
"954686"	433.088894	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-H+HCOOH"	44.998194
"374726"	821.179601	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+HCOOH-H"	44.998201
"356783"	835.195251	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+Hac-H"	59.013851
"1500511"	447.104551	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Hac-H"	59.013851
"972066"	455.070851	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-H+NaCOOH"	66.980151
"123158"	423.060102	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+2Cl"	69.938804
"562718"	617.105452	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+2Cl"	69.938804
"1036829"	229.014752	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2Cl"	69.938804
"1251096"	467.009585	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Br"	78.918885
"1315734"	469.065572	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Cl+HCOOH"	80.974872
"1323751"	491.047529	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Cl+NaCOOH"	102.956829
"918823"	501.076286	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M-H+CF3COOH"	112.985586
"1296620"	537.052964	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Cl+CF3COOH"	148.962264
"1379155"	353.078024	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H-2H2O"	-35.012676
"1388996"	371.088	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H-H2O"	-17.0027
"289776"	777.188676	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+H"	1.007276
"680012"	1165.279376	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+H"	1.007276
"1353445"	389.097976	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H"	1.007276
"132537"	389.097976	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+2H"	2.014552
"575022"	583.143326	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+2H"	2.014552
"1043090"	195.052626	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2H"	2.014552
"213179"	259.734409333333	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+3H"	3.021828
"652739"	389.097976	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+3H"	3.021828
"1171961"	130.370842666667	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+3H"	3.021828
"434139"	794.215223	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+NH4"	18.033823
"796229"	1182.305923	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+NH4"	18.033823
"1694750"	406.124523	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+NH4"	18.033823
"341932"	397.6112495	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+H+NH4"	19.041099
"734356"	591.6565995	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+H+NH4"	19.041099
"1488177"	203.5658995	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H+NH4"	19.041099
"399202"	799.170618	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+Na"	22.989218
"761288"	1187.261318	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+Na"	22.989218
"1610482"	411.079918	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Na"	22.989218
"323798"	400.088947	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+H+Na"	23.996494
"720595"	594.134297	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+H+Na"	23.996494
"1474409"	206.043597	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H+Na"	23.996494
"1061094"	137.698156666667	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2H+Na"	25.00377
"1263865"	421.124186	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+CH3OH+H"	33.033486
"384262"	815.144558	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+K"	38.963158
"752193"	1203.235258	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+K"	38.963158
"1553883"	427.053858	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+K"	38.963158
"304864"	408.075917	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+H+K"	39.970434
"701658"	602.121267	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+H+K"	39.970434
"1454383"	214.030567	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H+K"	39.970434
"247358"	818.215226	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+ACN+H"	42.033826
"1217880"	430.124526	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+ACN+H"	42.033826
"1199580"	215.565901	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+ACN+2H"	43.041102
"194640"	821.15256	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+2Na-H"	44.97116
"637486"	1209.24326	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+2Na-H"	44.97116
"1143178"	433.06186	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2Na-H"	44.97116
"186475"	411.079918	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+2Na"	45.978436
"623845"	605.125268	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+2Na"	45.978436
"1128443"	217.034568	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2Na"	45.978436
"1411607"	145.025470666667	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H+2Na"	46.985712
"1441899"	435.103446	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H+HCOOH"	47.012746
"232687"	416.11294	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+3H2O+2H"	56.04448
"1520750"	449.15549	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+IsoProp+H"	61.06479
"419343"	419.066888	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+Na+K"	61.952376
"783251"	613.112238	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+Na+K"	61.952376
"1678493"	225.021538	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Na+K"	61.952376
"263189"	840.197168	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+ACN+Na"	64.015768
"1238090"	452.106468	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+ACN+Na"	64.015768
"1724425"	452.129993	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+NH4+HCOOH"	64.039293
"1191600"	152.352784666667	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+3Na"	68.967654
"1658945"	457.085388	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Na+HCOOH"	68.994688
"165804"	853.10044	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+2K-H"	76.91904
"600992"	1241.19114	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+2K-H"	76.91904
"1090972"	465.00974	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2K-H"	76.91904
"146694"	427.053858	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"2M+2K"	77.926316
"588443"	621.099208	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"3M+2K"	77.926316
"1075141"	233.008508	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2K"	77.926316
"1107256"	467.024292	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2K+H"	78.933592
"1345830"	467.111907	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+DMSO+H"	79.021207
"1011078"	471.151076	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2ACN+H"	83.060376
"1532483"	472.144708	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+IsoProp+Na+H"	84.054008
"994557"	236.079176	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+2ACN+2H"	84.067652
"1588695"	473.059328	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+K+HCOOH"	84.968628
"1419093"	503.090838	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+H+CF3COOH"	115.000138
"1150473"	256.592451	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+3ACN+2H"	125.094202
"1701118"	520.117385	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+NH4+CF3COOH"	132.026685
"1638955"	525.07278	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+Na+CF3COOH"	136.98208
"1574609"	541.04672	"C08539"	"Betanidin;(2S)-4-2-(2S)-2-Carboxy-23-dihydro-56-dihydroxy-1H-indol-1-ylethenyl-23-dihydro-26-pyridinedicarboxylic acid"	"C18H16N2O8"	"388.0907"	"M+K+CF3COOH"	152.95602
"814815"	550.1435	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M"	0
"985068"	531.12511	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-H2O-H"	-19.01839
"74404"	365.755057333333	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M-3H"	-3.021828
"511777"	549.136224	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M-3H"	-3.021828
"889579"	182.373890666667	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-3H"	-3.021828
"12531"	549.136224	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M-2H"	-2.014552
"452091"	824.207974	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M-2H"	-2.014552
"827707"	274.064474	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-2H"	-2.014552
"81500"	1099.279724	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M-H"	-1.007276
"531637"	1649.423224	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M-H"	-1.007276
"902876"	549.136224	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-H"	-1.007276
"52876"	1116.306271	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M-2H+NH4"	16.019271
"490614"	1666.449771	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M-2H+NH4"	16.019271
"868414"	566.162771	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-2H+NH4"	16.019271
"32306"	1121.261666	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M-2H+Na"	20.974666
"472593"	1671.405166	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M-2H+Na"	20.974666
"849343"	571.118166	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-2H+Na"	20.974666
"1620664"	571.118166	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Na-2H"	20.974666
"100476"	567.124563	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M-H+Cl"	33.962126
"541130"	842.196313	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M-H+Cl"	33.962126
"941461"	292.052813	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-H+Cl"	33.962126
"281233"	1135.256402	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+Cl"	34.969402
"672917"	1685.399902	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+Cl"	34.969402
"1285330"	585.112902	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Cl"	34.969402
"29340"	1137.235606	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M-2H+K"	36.948606
"467805"	1687.379106	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M-2H+K"	36.948606
"844517"	587.092106	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-2H+K"	36.948606
"1566908"	587.092106	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+K-2H"	36.948606
"954796"	595.141694	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-H+HCOOH"	44.998194
"370824"	1145.285201	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+HCOOH-H"	44.998201
"355800"	1159.300851	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+Hac-H"	59.013851
"1499528"	609.157351	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Hac-H"	59.013851
"971083"	617.123651	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-H+NaCOOH"	66.980151
"121081"	585.112902	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+2Cl"	69.938804
"558453"	860.184652	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+2Cl"	69.938804
"1031627"	310.041152	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2Cl"	69.938804
"1250113"	629.062385	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Br"	78.918885
"1315843"	631.118372	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Cl+HCOOH"	80.974872
"1326777"	653.100329	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Cl+NaCOOH"	102.956829
"922941"	663.129086	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M-H+CF3COOH"	112.985586
"1296730"	699.105764	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Cl+CF3COOH"	148.962264
"1379265"	515.130824	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H-2H2O"	-35.012676
"1389106"	533.1408	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H-H2O"	-17.0027
"289886"	1101.294276	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+H"	1.007276
"680122"	1651.437776	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+H"	1.007276
"1354283"	551.150776	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H"	1.007276
"133741"	551.150776	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+2H"	2.014552
"570027"	826.222526	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+2H"	2.014552
"1047206"	276.079026	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2H"	2.014552
"214018"	367.769609333333	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+3H"	3.021828
"653940"	551.150776	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+3H"	3.021828
"1172071"	184.388442666667	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+3H"	3.021828
"436071"	1118.320823	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+NH4"	18.033823
"794152"	1668.464323	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+NH4"	18.033823
"1693767"	568.177323	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+NH4"	18.033823
"342407"	559.6640495	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+H+NH4"	19.041099
"735924"	834.7357995	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+H+NH4"	19.041099
"1490109"	284.5922995	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H+NH4"	19.041099
"402591"	1123.276218	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+Na"	22.989218
"762492"	1673.419718	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+Na"	22.989218
"1611685"	573.132718	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Na"	22.989218
"326094"	562.141747	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+H+Na"	23.996494
"720341"	837.213497	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+H+Na"	23.996494
"1471968"	287.069997	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H+Na"	23.996494
"1061204"	191.715756666667	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2H+Na"	25.00377
"1262881"	583.176986	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+CH3OH+H"	33.033486
"384735"	1139.250158	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+K"	38.963158
"751210"	1689.393658	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+K"	38.963158
"1552170"	589.106658	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+K"	38.963158
"308254"	570.128717	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+H+K"	39.970434
"701767"	845.200467	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+H+K"	39.970434
"1453399"	295.056967	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H+K"	39.970434
"247468"	1142.320826	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+ACN+H"	42.033826
"1216898"	592.177326	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+ACN+H"	42.033826
"1197867"	296.592301	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+ACN+2H"	43.041102
"192560"	1145.25816	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+2Na-H"	44.97116
"636501"	1695.40166	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+2Na-H"	44.97116
"1143288"	595.11466	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2Na-H"	44.97116
"185487"	573.132718	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+2Na"	45.978436
"625048"	848.204468	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+2Na"	45.978436
"1128553"	298.060968	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2Na"	45.978436
"1410985"	199.043070666667	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H+2Na"	46.985712
"1443101"	597.156246	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H+HCOOH"	47.012746
"233889"	578.16574	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+3H2O+2H"	56.04448
"1524046"	611.20829	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+IsoProp+H"	61.06479
"421636"	581.119688	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+Na+K"	61.952376
"780444"	856.191438	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+Na+K"	61.952376
"1677511"	306.047938	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Na+K"	61.952376
"262206"	1164.302768	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+ACN+Na"	64.015768
"1238199"	614.159268	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+ACN+Na"	64.015768
"1727084"	614.182793	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+NH4+HCOOH"	64.039293
"1192075"	206.370384666667	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+3Na"	68.967654
"1661242"	619.138188	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Na+HCOOH"	68.994688
"168100"	1177.20604	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+2K-H"	76.91904
"602195"	1727.34954	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+2K-H"	76.91904
"1091082"	627.06254	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2K-H"	76.91904
"150084"	589.106658	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"2M+2K"	77.926316
"590739"	864.178408	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"3M+2K"	77.926316
"1076344"	314.034908	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2K"	77.926316
"1108460"	629.077092	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2K+H"	78.933592
"1342657"	629.164707	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+DMSO+H"	79.021207
"1012281"	633.203876	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2ACN+H"	83.060376
"1531500"	634.197508	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+IsoProp+Na+H"	84.054008
"994667"	317.105576	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+2ACN+2H"	84.067652
"1591357"	635.112128	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+K+HCOOH"	84.968628
"1419203"	665.143638	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+H+CF3COOH"	115.000138
"1150583"	337.618851	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+3ACN+2H"	125.094202
"1700135"	682.170185	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+NH4+CF3COOH"	132.026685
"1639065"	687.12558	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+Na+CF3COOH"	136.98208
"1574719"	703.09952	"C08540"	"Betanin"	"C24H26N2O13"	"550.1435"	"M+K+CF3COOH"	152.95602
"814925"	712.1963	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M"	0
"985178"	693.17791	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-H2O-H"	-19.01839
"74514"	473.790257333333	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M-3H"	-3.021828
"508607"	711.189024	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M-3H"	-3.021828
"892605"	236.391490666667	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-3H"	-3.021828
"10454"	711.189024	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M-2H"	-2.014552
"448919"	1067.287174	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M-2H"	-2.014552
"828911"	355.090874	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-2H"	-2.014552
"90966"	1423.385324	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M-H"	-1.007276
"530653"	2135.581624	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M-H"	-1.007276
"902986"	711.189024	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-H"	-1.007276
"54080"	1440.411871	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M-2H+NH4"	16.019271
"496920"	2152.608171	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M-2H+NH4"	16.019271
"867795"	728.215571	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-2H+NH4"	16.019271
"33874"	1445.367266	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M-2H+Na"	20.974666
"473431"	2157.563566	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M-2H+Na"	20.974666
"850143"	733.170966	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-2H+Na"	20.974666
"1621867"	733.170966	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Na-2H"	20.974666
"103866"	729.177363	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M-H+Cl"	33.962126
"545613"	1085.275513	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M-H+Cl"	33.962126
"940230"	373.079213	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-H+Cl"	33.962126
"280976"	1459.362002	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+Cl"	34.969402
"670112"	2171.558302	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+Cl"	34.969402
"1283617"	747.165702	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Cl"	34.969402
"27265"	1461.341206	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M-2H+K"	36.948606
"467916"	2173.537506	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M-2H+K"	36.948606
"841348"	749.144906	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-2H+K"	36.948606
"1563740"	749.144906	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+K-2H"	36.948606
"953814"	757.194494	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-H+HCOOH"	44.998194
"370933"	1469.390801	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+HCOOH-H"	44.998201
"354817"	1483.406451	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+Hac-H"	59.013851
"1498909"	771.210151	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Hac-H"	59.013851
"972287"	779.176451	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-H+NaCOOH"	66.980151
"121191"	747.165702	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+2Cl"	69.938804
"558563"	1103.263852	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+2Cl"	69.938804
"1030643"	391.067552	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2Cl"	69.938804
"1250222"	791.115185	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Br"	78.918885
"1315589"	793.171172	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Cl+HCOOH"	80.974872
"1326887"	815.153129	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Cl+NaCOOH"	102.956829
"920135"	825.181886	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M-H+CF3COOH"	112.985586
"1296840"	861.158564	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Cl+CF3COOH"	148.962264
"1375003"	677.183624	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H-2H2O"	-35.012676
"1387029"	695.1936	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H-H2O"	-17.0027
"288903"	1425.399876	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+H"	1.007276
"677315"	2137.596176	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+H"	1.007276
"1354393"	713.203576	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H"	1.007276
"137131"	713.203576	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+2H"	2.014552
"575605"	1069.301726	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+2H"	2.014552
"1047316"	357.105426	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2H"	2.014552
"213400"	475.804809333333	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+3H"	3.021828
"652959"	713.203576	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+3H"	3.021828
"1171088"	238.406042666667	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+3H"	3.021828
"433266"	1442.426423	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+NH4"	18.033823
"795355"	2154.622723	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+NH4"	18.033823
"1695699"	730.230123	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+NH4"	18.033823
"343246"	721.7168495	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+H+NH4"	19.041099
"736641"	1077.8149995	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+H+NH4"	19.041099
"1490583"	365.6186995	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H+NH4"	19.041099
"404887"	1447.381818	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+Na"	22.989218
"764790"	2159.578118	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+Na"	22.989218
"1615075"	735.185518	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Na"	22.989218
"327298"	724.194547	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+H+Na"	23.996494
"721789"	1080.292697	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+H+Na"	23.996494
"1473172"	368.096397	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H+Na"	23.996494
"1062043"	245.733356666667	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2H+Na"	25.00377
"1263721"	745.229786	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+CH3OH+H"	33.033486
"385939"	1463.355758	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+K"	38.963158
"751320"	2175.552058	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+K"	38.963158
"1552280"	751.159458	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+K"	38.963158
"307271"	732.181517	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+H+K"	39.970434
"700784"	1088.279667	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+H+K"	39.970434
"1453510"	376.083367	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H+K"	39.970434
"245391"	1466.426426	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+ACN+H"	42.033826
"1217007"	754.230126	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+ACN+H"	42.033826
"1197612"	377.618701	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+ACN+2H"	43.041102
"191574"	1469.36376	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+2Na-H"	44.97116
"633331"	2181.56006	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+2Na-H"	44.97116
"1142305"	757.16746	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2Na-H"	44.97116
"184504"	735.185518	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+2Na"	45.978436
"625158"	1091.283668	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+2Na"	45.978436
"1128663"	379.087368	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2Na"	45.978436
"1411095"	253.060670666667	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H+2Na"	46.985712
"1442118"	759.209046	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H+HCOOH"	47.012746
"230718"	740.21854	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+3H2O+2H"	56.04448
"1518780"	773.26109	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+IsoProp+H"	61.06479
"418466"	743.172488	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+Na+K"	61.952376
"782741"	1099.270638	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+Na+K"	61.952376
"1677619"	387.074338	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Na+K"	61.952376
"262315"	1488.408368	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+ACN+Na"	64.015768
"1237214"	776.212068	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+ACN+Na"	64.015768
"1725006"	776.235593	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+NH4+HCOOH"	64.039293
"1192545"	260.387984666667	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+3Na"	68.967654
"1661351"	781.190988	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Na+HCOOH"	68.994688
"167117"	1501.31164	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+2K-H"	76.91904
"602306"	2213.50794	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+2K-H"	76.91904
"1091192"	789.11534	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2K-H"	76.91904
"148008"	751.159458	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"2M+2K"	77.926316
"587569"	1107.257608	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"3M+2K"	77.926316
"1077547"	395.061308	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2K"	77.926316
"1109662"	791.129892	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2K+H"	78.933592
"1343862"	791.217507	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+DMSO+H"	79.021207
"1012391"	795.256676	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2ACN+H"	83.060376
"1532703"	796.250308	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+IsoProp+Na+H"	84.054008
"998057"	398.131976	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+2ACN+2H"	84.067652
"1596935"	797.164928	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+K+HCOOH"	84.968628
"1424781"	827.196438	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+H+CF3COOH"	115.000138
"1151788"	418.645251	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+3ACN+2H"	125.094202
"1700245"	844.222985	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+NH4+CF3COOH"	132.026685
"1643550"	849.17838	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+Na+CF3COOH"	136.98208
"1578109"	865.15232	"C08541"	"Bougainvillein-r-I;Bougainvillein-v"	"C30H36N2O18"	"712.1963"	"M+K+CF3COOH"	152.95602
"815035"	902.2229	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M"	0
"978726"	883.20451	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-H2O-H"	-19.01839
"74624"	600.474657333333	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M-3H"	-3.021828
"513090"	901.215624	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M-3H"	-3.021828
"895311"	299.733690666667	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-3H"	-3.021828
"11657"	901.215624	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M-2H"	-2.014552
"451215"	1352.327074	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M-2H"	-2.014552
"829021"	450.104174	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-2H"	-2.014552
"91197"	1803.438524	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M-H"	-1.007276
"533438"	2705.661424	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M-H"	-1.007276
"902003"	901.215624	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-H"	-1.007276
"55283"	1820.465071	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M-2H+NH4"	16.019271
"497030"	2722.687971	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M-2H+NH4"	16.019271
"867540"	918.242171	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-2H+NH4"	16.019271
"33619"	1825.420466	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M-2H+Na"	20.974666
"473542"	2727.643366	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M-2H+Na"	20.974666
"851346"	923.197566	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-2H+Na"	20.974666
"1623070"	923.197566	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Na-2H"	20.974666
"106162"	919.203963	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M-H+Cl"	33.962126
"542441"	1370.315413	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M-H+Cl"	33.962126
"939245"	468.092513	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-H+Cl"	33.962126
"279994"	1839.415202	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+Cl"	34.969402
"668035"	2741.638102	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+Cl"	34.969402
"1283363"	937.192302	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Cl"	34.969402
"27375"	1841.394406	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M-2H+K"	36.948606
"468757"	2743.617306	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M-2H+K"	36.948606
"842551"	939.171506	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-2H+K"	36.948606
"1567129"	939.171506	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+K-2H"	36.948606
"952830"	947.221094	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-H+HCOOH"	44.998194
"368857"	1849.444001	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+HCOOH-H"	44.998201
"354927"	1863.459651	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+Hac-H"	59.013851
"1503756"	961.236751	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Hac-H"	59.013851
"970212"	969.203051	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-H+NaCOOH"	66.980151
"121301"	937.192302	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+2Cl"	69.938804
"563045"	1388.303752	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+2Cl"	69.938804
"1031846"	486.080852	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2Cl"	69.938804
"1253611"	981.141785	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Br"	78.918885
"1313877"	983.197772	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Cl+HCOOH"	80.974872
"1326997"	1005.179729	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Cl+NaCOOH"	102.956829
"922431"	1015.208486	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M-H+CF3COOH"	112.985586
"1295857"	1051.185164	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Cl+CF3COOH"	148.962264
"1374020"	867.210224	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H-2H2O"	-35.012676
"1387139"	885.2202	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H-H2O"	-17.0027
"289013"	1805.453076	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+H"	1.007276
"678882"	2707.675976	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+H"	1.007276
"1355961"	903.230176	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H"	1.007276
"127764"	903.230176	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+2H"	2.014552
"573528"	1354.341626	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+2H"	2.014552
"1044510"	452.118726	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2H"	2.014552
"215696"	602.489209333333	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+3H"	3.021828
"655253"	903.230176	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+3H"	3.021828
"1174478"	301.748242666667	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+3H"	3.021828
"434469"	1822.479623	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+NH4"	18.033823
"796558"	2724.702523	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+NH4"	18.033823
"1695446"	920.256723	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+NH4"	18.033823
"343355"	911.7434495	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+H+NH4"	19.041099
"734686"	1362.8548995	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+H+NH4"	19.041099
"1490694"	460.6319995	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H+NH4"	19.041099
"402811"	1827.435018	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+Na"	22.989218
"762714"	2729.657918	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+Na"	22.989218
"1614093"	925.212118	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Na"	22.989218
"328380"	914.221147	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+H+Na"	23.996494
"721291"	1365.332597	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+H+Na"	23.996494
"1473281"	463.109697	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H+Na"	23.996494
"1062516"	309.075556666667	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2H+Na"	25.00377
"1265288"	935.256386	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+CH3OH+H"	33.033486
"386048"	1843.408958	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+K"	38.963158
"749973"	2745.631858	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+K"	38.963158
"1550205"	941.186058	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+K"	38.963158
"306288"	922.208117	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+H+K"	39.970434
"699802"	1373.319567	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+H+K"	39.970434
"1451434"	471.096667	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H+K"	39.970434
"246595"	1846.479626	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+ACN+H"	42.033826
"1216025"	944.256726	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+ACN+H"	42.033826
"1195898"	472.632001	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+ACN+2H"	43.041102
"191685"	1849.41696	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+2Na-H"	44.97116
"632347"	2751.63986	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+2Na-H"	44.97116
"1139135"	947.19406	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2Na-H"	44.97116
"179148"	925.212118	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+2Na"	45.978436
"619801"	1376.323568	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+2Na"	45.978436
"1125494"	474.100668	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2Na"	45.978436
"1406832"	316.402870666667	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H+2Na"	46.985712
"1440406"	949.235646	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H+HCOOH"	47.012746
"228642"	930.24514	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+3H2O+2H"	56.04448
"1516705"	963.28769	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+IsoProp+H"	61.06479
"416390"	933.199088	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+Na+K"	61.952376
"778844"	1384.310538	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+Na+K"	61.952376
"1672626"	482.087638	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Na+K"	61.952376
"256958"	1868.461568	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+ACN+Na"	64.015768
"1237324"	966.238668	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+ACN+Na"	64.015768
"1721835"	966.262193	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+NH4+HCOOH"	64.039293
"1188282"	323.730184666667	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+3Na"	68.967654
"1662555"	971.217588	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Na+HCOOH"	68.994688
"168321"	1881.36484	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+2K-H"	76.91904
"605697"	2783.58774	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+2K-H"	76.91904
"1093489"	979.14194	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2K-H"	76.91904
"151399"	941.186058	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"2M+2K"	77.926316
"587679"	1392.297508	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"3M+2K"	77.926316
"1079845"	490.074608	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2K"	77.926316
"1109773"	981.156492	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2K+H"	78.933592
"1347252"	981.244107	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+DMSO+H"	79.021207
"1015781"	985.283276	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2ACN+H"	83.060376
"1535000"	986.276908	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+IsoProp+Na+H"	84.054008
"998167"	493.145276	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+2ACN+2H"	84.067652
"1597045"	987.191528	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+K+HCOOH"	84.968628
"1424891"	1017.223038	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+H+CF3COOH"	115.000138
"1152991"	513.658551	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+3ACN+2H"	125.094202
"1700355"	1034.249585	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+NH4+CF3COOH"	132.026685
"1643660"	1039.20498	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+Na+CF3COOH"	136.98208
"1578219"	1055.17892	"C08542"	"Celosianin II"	"C40H42N2O22"	"902.2229"	"M+K+CF3COOH"	152.95602
"815145"	390.1063	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M"	0
"976650"	371.08791	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-H2O-H"	-19.01839
"74734"	259.063590666667	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M-3H"	-3.021828
"513200"	389.099024	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M-3H"	-3.021828
"895542"	129.028157333333	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-3H"	-3.021828
"11767"	389.099024	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M-2H"	-2.014552
"451325"	584.152174	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M-2H"	-2.014552
"829130"	194.045874	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-2H"	-2.014552
"91307"	779.205324	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M-H"	-1.007276
"530873"	1169.311624	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M-H"	-1.007276
"904300"	389.099024	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-H"	-1.007276
"57581"	796.231871	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M-2H+NH4"	16.019271
"494954"	1186.338171	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M-2H+NH4"	16.019271
"871662"	406.125571	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-2H+NH4"	16.019271
"32999"	801.187266	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M-2H+Na"	20.974666
"474383"	1191.293566	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M-2H+Na"	20.974666
"850728"	411.080966	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-2H+Na"	20.974666
"1627555"	411.080966	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Na-2H"	20.974666
"104085"	407.087363	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M-H+Cl"	33.962126
"542551"	602.140513	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M-H+Cl"	33.962126
"941174"	212.034213	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-H+Cl"	33.962126
"279732"	815.182002	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+Cl"	34.969402
"673615"	1205.288302	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+Cl"	34.969402
"1283474"	425.075702	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Cl"	34.969402
"27485"	817.161206	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M-2H+K"	36.948606
"468501"	1207.267506	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M-2H+K"	36.948606
"846672"	427.054906	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-2H+K"	36.948606
"1568332"	427.054906	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+K-2H"	36.948606
"954762"	435.104494	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-H+HCOOH"	44.998194
"374432"	825.210801	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+HCOOH-H"	44.998201
"357223"	839.226451	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+Hac-H"	59.013851
"1503870"	449.120151	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Hac-H"	59.013851
"969958"	457.086451	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-H+NaCOOH"	66.980151
"120321"	425.075702	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+2Cl"	69.938804
"563156"	620.128852	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+2Cl"	69.938804
"1033782"	230.022552	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2Cl"	69.938804
"1253721"	469.025185	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Br"	78.918885
"1311801"	471.081172	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Cl+HCOOH"	80.974872
"1329296"	493.063129	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Cl+NaCOOH"	102.956829
"920355"	503.091886	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M-H+CF3COOH"	112.985586
"1295969"	539.068564	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Cl+CF3COOH"	148.962264
"1374130"	355.093624	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H-2H2O"	-35.012676
"1390531"	373.1036	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H-H2O"	-17.0027
"289123"	781.219876	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+H"	1.007276
"678628"	1171.326176	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+H"	1.007276
"1354978"	391.113576	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H"	1.007276
"127875"	391.113576	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+2H"	2.014552
"573638"	586.166726	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+2H"	2.014552
"1044623"	196.060426	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2H"	2.014552
"214711"	261.078142666667	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+3H"	3.021828
"654270"	391.113576	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+3H"	3.021828
"1176412"	131.042709333333	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+3H"	3.021828
"433486"	798.246423	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+NH4"	18.033823
"797762"	1188.352723	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+NH4"	18.033823
"1696901"	408.140123	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+NH4"	18.033823
"344558"	399.6268495	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+H+NH4"	19.041099
"738322"	594.6799995	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+H+NH4"	19.041099
"1492645"	204.5736995	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H+NH4"	19.041099
"407298"	803.201818	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+Na"	22.989218
"768294"	1193.308118	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+Na"	22.989218
"1616392"	413.095518	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Na"	22.989218
"328979"	402.104547	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+H+Na"	23.996494
"722341"	597.157697	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+H+Na"	23.996494
"1472665"	207.051397	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H+Na"	23.996494
"1063722"	138.370023333333	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2H+Na"	25.00377
"1266493"	423.139786	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+CH3OH+H"	33.033486
"383973"	819.175758	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+K"	38.963158
"754019"	1209.282058	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+K"	38.963158
"1554454"	429.069458	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+K"	38.963158
"308586"	410.091517	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+H+K"	39.970434
"705017"	605.144667	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+H+K"	39.970434
"1460902"	215.038367	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H+K"	39.970434
"249988"	822.246426	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+ACN+H"	42.033826
"1222696"	432.140126	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+ACN+H"	42.033826
"1198928"	216.573701	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+ACN+2H"	43.041102
"192890"	825.18376	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+2Na-H"	44.97116
"637926"	1215.29006	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+2Na-H"	44.97116
"1142527"	435.07746	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2Na-H"	44.97116
"182539"	413.095518	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+2Na"	45.978436
"624286"	608.148668	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+2Na"	45.978436
"1124514"	218.042368	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2Na"	45.978436
"1406943"	145.697337333333	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H+2Na"	46.985712
"1437966"	437.119046	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H+HCOOH"	47.012746
"230211"	418.12854	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+3H2O+2H"	56.04448
"1516451"	451.17109	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+IsoProp+H"	61.06479
"416865"	421.082488	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+Na+K"	61.952376
"778224"	616.135638	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+Na+K"	61.952376
"1676017"	226.029338	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Na+K"	61.952376
"257069"	844.228368	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+ACN+Na"	64.015768
"1238527"	454.122068	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+ACN+Na"	64.015768
"1721945"	454.145593	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+NH4+HCOOH"	64.039293
"1192403"	153.024651333333	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+3Na"	68.967654
"1664975"	459.100988	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Na+HCOOH"	68.994688
"171711"	857.13164	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+2K-H"	76.91904
"609817"	1247.23794	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+2K-H"	76.91904
"1095786"	467.02534	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2K-H"	76.91904
"154667"	429.069458	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"2M+2K"	77.926316
"596052"	624.122608	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"3M+2K"	77.926316
"1082872"	234.016308	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2K"	77.926316
"1113893"	469.039892	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2K+H"	78.933592
"1349550"	469.127507	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+DMSO+H"	79.021207
"1015891"	473.166676	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2ACN+H"	83.060376
"1538271"	474.160308	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+IsoProp+Na+H"	84.054008
"997184"	237.086976	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+2ACN+2H"	84.067652
"1597155"	475.074928	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+K+HCOOH"	84.968628
"1422814"	505.106438	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+H+CF3COOH"	115.000138
"1153101"	257.600251	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+3ACN+2H"	125.094202
"1700465"	522.132985	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+NH4+CF3COOH"	132.026685
"1643770"	527.08838	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+Na+CF3COOH"	136.98208
"1575049"	543.06232	"C08543"	"Dopaxanthin"	"C18H18N2O8"	"390.1063"	"M+K+CF3COOH"	152.95602
"811977"	550.1435	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M"	0
"982230"	531.12511	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-H2O-H"	-19.01839
"73753"	365.755057333333	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M-3H"	-3.021828
"512218"	549.136224	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M-3H"	-3.021828
"886741"	182.373890666667	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-3H"	-3.021828
"10782"	549.136224	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M-2H"	-2.014552
"451435"	824.207974	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M-2H"	-2.014552
"822678"	274.064474	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-2H"	-2.014552
"85948"	1099.279724	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M-H"	-1.007276
"533985"	1649.423224	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M-H"	-1.007276
"906599"	549.136224	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-H"	-1.007276
"52225"	1116.306271	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M-2H+NH4"	16.019271
"491055"	1666.449771	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M-2H+NH4"	16.019271
"868126"	566.162771	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-2H+NH4"	16.019271
"36758"	1121.261666	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M-2H+Na"	20.974666
"474859"	1671.405166	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M-2H+Na"	20.974666
"854850"	571.118166	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-2H+Na"	20.974666
"1627666"	571.118166	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Na-2H"	20.974666
"98726"	567.124563	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M-H+Cl"	33.962126
"544850"	842.196313	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M-H+Cl"	33.962126
"931807"	292.052813	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-H+Cl"	33.962126
"278019"	1135.256402	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+Cl"	34.969402
"672994"	1685.399902	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+Cl"	34.969402
"1287715"	585.112902	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Cl"	34.969402
"29055"	1137.235606	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M-2H+K"	36.948606
"468614"	1687.379106	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M-2H+K"	36.948606
"844956"	587.092106	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-2H+K"	36.948606
"1570989"	587.092106	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+K-2H"	36.948606
"957060"	595.141694	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-H+HCOOH"	44.998194
"375642"	1145.285201	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+HCOOH-H"	44.998201
"359161"	1159.300851	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+Hac-H"	59.013851
"1505810"	609.157351	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Hac-H"	59.013851
"971528"	617.123651	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-H+NaCOOH"	66.980151
"122256"	585.112902	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+2Cl"	69.938804
"562177"	860.184652	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+2Cl"	69.938804
"1032070"	310.041152	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2Cl"	69.938804
"1253832"	629.062385	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Br"	78.918885
"1313005"	631.118372	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Cl+HCOOH"	80.974872
"1328316"	653.100329	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Cl+NaCOOH"	102.956829
"923386"	663.129086	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M-H+CF3COOH"	112.985586
"1300092"	699.105764	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Cl+CF3COOH"	148.962264
"1375335"	515.130824	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H-2H2O"	-35.012676
"1389549"	533.1408	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H-H2O"	-17.0027
"286315"	1101.294276	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+H"	1.007276
"677645"	1651.437776	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+H"	1.007276
"1353995"	551.150776	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H"	1.007276
"129807"	551.150776	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+2H"	2.014552
"574839"	826.222526	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+2H"	2.014552
"1044732"	276.079026	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2H"	2.014552
"211540"	367.769609333333	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+3H"	3.021828
"647818"	551.150776	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+3H"	3.021828
"1178334"	184.388442666667	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+3H"	3.021828
"434688"	1118.320823	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+NH4"	18.033823
"798965"	1668.464323	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+NH4"	18.033823
"1695296"	568.177323	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+NH4"	18.033823
"343573"	559.6640495	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+H+NH4"	19.041099
"737781"	834.7357995	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+H+NH4"	19.041099
"1492699"	284.5922995	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H+NH4"	19.041099
"408137"	1123.276218	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+Na"	22.989218
"769622"	1673.419718	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+Na"	22.989218
"1618317"	573.132718	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Na"	22.989218
"329702"	562.141747	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+H+Na"	23.996494
"722663"	837.213497	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+H+Na"	23.996494
"1473868"	287.069997	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H+Na"	23.996494
"1064925"	191.715756666667	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2H+Na"	25.00377
"1268789"	583.176986	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+CH3OH+H"	33.033486
"386270"	1139.250158	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+K"	38.963158
"753562"	1689.393658	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+K"	38.963158
"1555331"	589.106658	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+K"	38.963158
"310883"	570.128717	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+H+K"	39.970434
"706222"	845.200467	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+H+K"	39.970434
"1459311"	295.056967	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H+K"	39.970434
"248640"	1142.320826	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+ACN+H"	42.033826
"1223899"	592.177326	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+ACN+H"	42.033826
"1197943"	296.592301	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+ACN+2H"	43.041102
"193000"	1145.25816	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+2Na-H"	44.97116
"641320"	1695.40166	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+2Na-H"	44.97116
"1140451"	595.11466	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2Na-H"	44.97116
"184473"	573.132718	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+2Na"	45.978436
"623306"	848.204468	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+2Na"	45.978436
"1127901"	298.060968	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2Na"	45.978436
"1410333"	199.043070666667	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H+2Na"	46.985712
"1440262"	597.156246	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H+HCOOH"	47.012746
"231049"	578.16574	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+3H2O+2H"	56.04448
"1520206"	611.20829	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+IsoProp+H"	61.06479
"421351"	581.119688	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+Na+K"	61.952376
"781252"	856.191438	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+Na+K"	61.952376
"1681153"	306.047938	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Na+K"	61.952376
"267021"	1164.302768	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+ACN+Na"	64.015768
"1240349"	614.159268	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+ACN+Na"	64.015768
"1726441"	614.182793	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+NH4+HCOOH"	64.039293
"1193651"	206.370384666667	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+3Na"	68.967654
"1664966"	619.138188	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Na+HCOOH"	68.994688
"171340"	1177.20604	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+2K-H"	76.91904
"608104"	1727.34954	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+2K-H"	76.91904
"1097963"	627.06254	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2K-H"	76.91904
"151621"	589.106658	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"2M+2K"	77.926316
"593367"	864.178408	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"3M+2K"	77.926316
"1077879"	314.034908	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2K"	77.926316
"1112183"	629.077092	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2K+H"	78.933592
"1343100"	629.164707	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+DMSO+H"	79.021207
"1014909"	633.203876	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2ACN+H"	83.060376
"1534128"	634.197508	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+IsoProp+Na+H"	84.054008
"996201"	317.105576	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+2ACN+2H"	84.067652
"1591797"	635.112128	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+K+HCOOH"	84.968628
"1415996"	665.143638	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+H+CF3COOH"	115.000138
"1156493"	337.618851	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+3ACN+2H"	125.094202
"1700576"	682.170185	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+NH4+CF3COOH"	132.026685
"1643882"	687.12558	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+Na+CF3COOH"	136.98208
"1578439"	703.09952	"C08544"	"Gomphrenin-I"	"C24H26N2O13"	"550.1435"	"M+K+CF3COOH"	152.95602
"815365"	622.4809	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M"	0
"985617"	603.46251	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-H2O-H"	-19.01839
"76049"	413.979990666667	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M-3H"	-3.021828
"515608"	621.473624	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M-3H"	-3.021828
"891225"	206.486357333333	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-3H"	-3.021828
"7612"	621.473624	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M-2H"	-2.014552
"447172"	932.714074	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M-2H"	-2.014552
"826069"	310.233174	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-2H"	-2.014552
"86058"	1243.954524	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M-H"	-1.007276
"533527"	1866.435424	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M-H"	-1.007276
"906709"	621.473624	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-H"	-1.007276
"52699"	1260.981071	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M-2H+NH4"	16.019271
"490070"	1883.461971	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M-2H+NH4"	16.019271
"867143"	638.500171	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-2H+NH4"	16.019271
"35411"	1265.936466	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M-2H+Na"	20.974666
"473876"	1888.417366	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M-2H+Na"	20.974666
"853867"	643.455566	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-2H+Na"	20.974666
"1630935"	643.455566	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Na-2H"	20.974666
"101025"	639.461963	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M-H+Cl"	33.962126
"548970"	950.702413	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M-H+Cl"	33.962126
"930823"	328.221513	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-H+Cl"	33.962126
"272661"	1279.931202	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+Cl"	34.969402
"668364"	1902.412102	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+Cl"	34.969402
"1284056"	657.450302	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Cl"	34.969402
"29529"	1281.910406	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M-2H+K"	36.948606
"469088"	1904.391306	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M-2H+K"	36.948606
"846159"	659.429506	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-2H+K"	36.948606
"1569288"	659.429506	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+K-2H"	36.948606
"957533"	667.479094	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-H+HCOOH"	44.998194
"376116"	1289.960001	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+HCOOH-H"	44.998201
"359635"	1303.975651	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+Hac-H"	59.013851
"1505556"	681.494751	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Hac-H"	59.013851
"969453"	689.461051	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-H+NaCOOH"	66.980151
"122003"	657.450302	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+2Cl"	69.938804
"562287"	968.690752	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+2Cl"	69.938804
"1035095"	346.209852	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2Cl"	69.938804
"1251755"	701.399785	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Br"	78.918885
"1314208"	703.455772	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Cl+HCOOH"	80.974872
"1330613"	725.437729	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Cl+NaCOOH"	102.956829
"923496"	735.466486	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M-H+CF3COOH"	112.985586
"1300566"	771.443164	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Cl+CF3COOH"	148.962264
"1373258"	587.468224	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H-2H2O"	-35.012676
"1389659"	605.4782	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H-H2O"	-17.0027
"288249"	1245.969076	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+H"	1.007276
"680671"	1868.449976	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+H"	1.007276
"1354833"	623.488176	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H"	1.007276
"132103"	623.488176	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+2H"	2.014552
"568388"	934.728626	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+2H"	2.014552
"1041560"	312.247726	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2H"	2.014552
"207275"	415.994542666667	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+3H"	3.021828
"645132"	623.488176	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+3H"	3.021828
"1172622"	208.500909333333	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+3H"	3.021828
"434434"	1262.995623	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+NH4"	18.033823
"794699"	1885.476523	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+NH4"	18.033823
"1688844"	640.514723	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+NH4"	18.033823
"338215"	632.0014495	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+H+NH4"	19.041099
"735742"	943.2418995	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+H+NH4"	19.041099
"1490290"	320.7609995	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H+NH4"	19.041099
"407884"	1267.951018	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+Na"	22.989218
"769653"	1890.431918	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+Na"	22.989218
"1618380"	645.470118	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Na"	22.989218
"329812"	634.479147	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+H+Na"	23.996494
"722792"	945.719597	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+H+Na"	23.996494
"1473616"	323.238697	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H+Na"	23.996494
"1064673"	215.828223333333	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2H+Na"	25.00377
"1266713"	655.514386	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+CH3OH+H"	33.033486
"389296"	1283.924958	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+K"	38.963158
"753588"	1906.405858	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+K"	38.963158
"1555400"	661.444058	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+K"	38.963158
"306619"	642.466117	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+H+K"	39.970434
"706331"	953.706567	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+H+K"	39.970434
"1460516"	331.225667	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H+K"	39.970434
"249844"	1286.995626	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+ACN+H"	42.033826
"1224374"	664.514726	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+ACN+H"	42.033826
"1199144"	332.761001	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+ACN+2H"	43.041102
"198578"	1289.93296	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+2Na-H"	44.97116
"634863"	1912.41386	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+2Na-H"	44.97116
"1142748"	667.45206	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2Na-H"	44.97116
"184583"	645.470118	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+2Na"	45.978436
"623412"	956.710568	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+2Na"	45.978436
"1125095"	334.229668	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2Na"	45.978436
"1408984"	223.155537333333	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H+2Na"	46.985712
"1440374"	669.493646	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H+HCOOH"	47.012746
"230066"	650.50314	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+3H2O+2H"	56.04448
"1520315"	683.54569	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+IsoProp+H"	61.06479
"418907"	653.457088	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+Na+K"	61.952376
"778808"	964.697538	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+Na+K"	61.952376
"1681100"	342.216638	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Na+K"	61.952376
"266976"	1308.977568	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+ACN+Na"	64.015768
"1241142"	686.496668	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+ACN+Na"	64.015768
"1727275"	686.520193	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+NH4+HCOOH"	64.039293
"1194125"	230.482851333333	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+3Na"	68.967654
"1664949"	691.475588	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Na+HCOOH"	68.994688
"172297"	1321.88084	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+2K-H"	76.91904
"606027"	1944.36174	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+2K-H"	76.91904
"1096007"	699.39994	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2K-H"	76.91904
"151731"	661.444058	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"2M+2K"	77.926316
"593477"	972.684508	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"3M+2K"	77.926316
"1077989"	350.203608	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2K"	77.926316
"1112293"	701.414492	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2K+H"	78.933592
"1342117"	701.502107	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+DMSO+H"	79.021207
"1013926"	705.541276	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2ACN+H"	83.060376
"1534238"	706.534908	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+IsoProp+Na+H"	84.054008
"996311"	353.274276	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+2ACN+2H"	84.067652
"1591907"	707.449528	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+K+HCOOH"	84.968628
"1416473"	737.481038	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+H+CF3COOH"	115.000138
"1154417"	373.787551	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+3ACN+2H"	125.094202
"1700686"	754.507585	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+NH4+CF3COOH"	132.026685
"1640712"	759.46298	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+Na+CF3COOH"	136.98208
"1578549"	775.43692	"C08545"	"Squamocin"	"C37H66O7"	"622.4809"	"M+K+CF3COOH"	152.95602
"815475"	168.115	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M"	0
"979167"	149.09661	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"77253"	111.069390666667	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"515718"	167.107724	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"891335"	55.0310573333333	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"7722"	167.107724	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"447282"	251.165224	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"826179"	83.050224	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"86168"	335.222724	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"531575"	503.337724	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"909007"	167.107724	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"52445"	352.249271	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"489087"	520.364271	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"867982"	184.134271	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"35521"	357.204666	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"473258"	525.319666	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"853977"	189.089666	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1621325"	189.089666	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"101135"	185.096063	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"545069"	269.153563	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"938588"	101.038563	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"276051"	371.199402	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"665193"	539.314402	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1284530"	203.084402	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"26722"	373.178606	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"467013"	541.293606	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"844813"	205.063606	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1567573"	205.063606	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"957443"	213.113194	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"373668"	381.228201	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"358646"	395.243851	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1504196"	227.128851	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"973682"	235.095151	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"122840"	203.084402	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"561303"	287.141902	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1035203"	119.026902	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1250770"	247.033885	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1313224"	249.089872	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1334004"	271.071829	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"923969"	281.100586	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1298489"	317.077264	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1376648"	133.102324	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1389768"	151.1123	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"284714"	337.237276	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"677501"	505.352276	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1353850"	169.122276	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H"	1.007276
"133306"	169.122276	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"570685"	253.179776	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1041670"	85.064776	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"209569"	113.083942666667	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"645850"	169.122276	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1173825"	57.0456093333333	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"432720"	354.263823	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"789341"	522.378823	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1687859"	186.148823	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"337227"	177.6355495	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"731840"	261.6930495	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1488941"	93.5780495	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"407752"	359.219218	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"769602"	527.334218	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1618149"	191.104218	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"328585"	180.113247	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"720880"	264.170747	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1472267"	96.055747	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1065146"	64.3729233333333	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1264637"	201.148486	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"385397"	375.193158	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"752972"	543.308158	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1555022"	207.078158	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+K"	38.963158
"305635"	188.100217	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"705712"	272.157717	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1458805"	104.042717	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"249956"	378.263826	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1223639"	210.148826	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1202536"	105.578051	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"195407"	381.20116	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"638249"	549.31616	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1143212"	213.08616	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"185423"	191.104218	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624984"	275.161718	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1127028"	107.046718	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1409458"	71.7002373333333	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1441213"	215.127746	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"231269"	196.13724	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1519332"	229.17979	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"419017"	199.091188	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"777825"	283.148688	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1680968"	115.033688	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"266925"	400.245768	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1240809"	232.130768	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1726655"	232.154293	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1193871"	79.0275513333333	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1664818"	237.109688	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"171315"	413.14904	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"606137"	581.26404	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1095024"	245.03404	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"149655"	207.078158	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"594682"	291.135658	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1081380"	123.020658	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1109123"	247.048592	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1343320"	247.136207	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1012943"	251.175376	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1534350"	252.169008	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"999703"	126.091326	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1592018"	253.083628	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1417677"	283.115138	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1153433"	146.604601	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1700796"	300.141685	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1640822"	305.09708	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1578659"	321.07102	"C08546"	"Tiglyl tiglate;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"815585"	726.1908	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M"	0
"979277"	707.17241	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-H2O-H"	-19.01839
"70799"	483.119924	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M-3H"	-3.021828
"508172"	725.183524	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M-3H"	-3.021828
"885976"	241.056324	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-3H"	-3.021828
"5643"	725.183524	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M-2H"	-2.014552
"443380"	1088.278924	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M-2H"	-2.014552
"826288"	362.088124	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-2H"	-2.014552
"85184"	1451.374324	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M-H"	-1.007276
"532171"	2177.565124	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M-H"	-1.007276
"909117"	725.183524	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-H"	-1.007276
"52555"	1468.400871	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M-2H+NH4"	16.019271
"490291"	2194.591671	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M-2H+NH4"	16.019271
"868822"	742.210071	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-2H+NH4"	16.019271
"35631"	1473.356266	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M-2H+Na"	20.974666
"474461"	2199.547066	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M-2H+Na"	20.974666
"854087"	747.165466	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-2H+Na"	20.974666
"1623621"	747.165466	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Na-2H"	20.974666
"101245"	743.171863	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M-H+Cl"	33.962126
"545179"	1106.267263	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M-H+Cl"	33.962126
"935418"	380.076463	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-H+Cl"	33.962126
"270694"	1487.351002	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+Cl"	34.969402
"664209"	2213.541802	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+Cl"	34.969402
"1284639"	761.160202	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Cl"	34.969402
"25733"	1489.330206	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M-2H+K"	36.948606
"465292"	2215.521006	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M-2H+K"	36.948606
"838719"	763.139406	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-2H+K"	36.948606
"1561114"	763.139406	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+K-2H"	36.948606
"944986"	771.188994	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-H+HCOOH"	44.998194
"367214"	1497.379801	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+HCOOH-H"	44.998201
"352191"	1511.395451	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+Hac-H"	59.013851
"1497376"	785.204651	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Hac-H"	59.013851
"968566"	793.170951	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-H+NaCOOH"	66.980151
"119661"	761.160202	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+2Cl"	69.938804
"563234"	1124.255602	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+2Cl"	69.938804
"1033489"	398.064802	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2Cl"	69.938804
"1250880"	805.109685	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Br"	78.918885
"1314422"	807.165672	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Cl+HCOOH"	80.974872
"1332657"	829.147629	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Cl+NaCOOH"	102.956829
"921889"	839.176386	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M-H+CF3COOH"	112.985586
"1300785"	875.153064	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Cl+CF3COOH"	148.962264
"1373477"	691.178124	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H-2H2O"	-35.012676
"1388783"	709.1881	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H-H2O"	-17.0027
"285916"	1453.388876	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+H"	1.007276
"678337"	2179.579676	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+H"	1.007276
"1352133"	727.198076	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H"	1.007276
"131228"	727.198076	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+2H"	2.014552
"568607"	1090.293476	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+2H"	2.014552
"1039592"	364.102676	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2H"	2.014552
"207854"	485.134476	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+3H"	3.021828
"648146"	727.198076	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+3H"	3.021828
"1171746"	243.070876	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+3H"	3.021828
"431737"	1470.415423	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+NH4"	18.033823
"788358"	2196.606223	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+NH4"	18.033823
"1690154"	744.224623	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+NH4"	18.033823
"336244"	735.7113495	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+H+NH4"	19.041099
"730857"	1098.8067495	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+H+NH4"	19.041099
"1489051"	372.6159495	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H+NH4"	19.041099
"408223"	1475.370818	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+Na"	22.989218
"769426"	2201.561618	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+Na"	22.989218
"1617692"	749.180018	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Na"	22.989218
"329546"	738.189047	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+H+Na"	23.996494
"722082"	1101.284447	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+H+Na"	23.996494
"1476022"	375.093647	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H+Na"	23.996494
"1066349"	250.39819	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2H+Na"	25.00377
"1266933"	759.224286	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+CH3OH+H"	33.033486
"381133"	1491.344758	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+K"	38.963158
"753326"	2217.535558	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+K"	38.963158
"1555213"	765.153958	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+K"	38.963158
"306838"	746.176017	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+H+K"	39.970434
"706068"	1109.271417	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+H+K"	39.970434
"1459645"	383.080617	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H+K"	39.970434
"250070"	1494.415426	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+ACN+H"	42.033826
"1223873"	768.224626	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+ACN+H"	42.033826
"1201553"	384.615951	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+ACN+2H"	43.041102
"198796"	1497.35276	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+2Na-H"	44.97116
"640542"	2223.54356	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+2Na-H"	44.97116
"1143686"	771.16196	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2Na-H"	44.97116
"185167"	749.180018	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+2Na"	45.978436
"624729"	1112.275418	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+2Na"	45.978436
"1128232"	386.084618	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2Na"	45.978436
"1408475"	257.725504	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H+2Na"	46.985712
"1438408"	773.203546	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H+HCOOH"	47.012746
"232109"	754.21304	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+3H2O+2H"	56.04448
"1520535"	787.25559	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+IsoProp+H"	61.06479
"420220"	757.166988	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+Na+K"	61.952376
"777935"	1120.262388	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+Na+K"	61.952376
"1678647"	394.071588	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Na+K"	61.952376
"265897"	1516.397368	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+ACN+Na"	64.015768
"1239704"	790.206568	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+ACN+Na"	64.015768
"1724944"	790.230093	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+NH4+HCOOH"	64.039293
"1190665"	265.052818	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+3Na"	68.967654
"1661651"	795.185488	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Na+HCOOH"	68.994688
"166689"	1529.30064	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+2K-H"	76.91904
"608799"	2255.49144	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+2K-H"	76.91904
"1092948"	803.10984	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2K-H"	76.91904
"149765"	765.153958	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"2M+2K"	77.926316
"593700"	1128.249358	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"3M+2K"	77.926316
"1079304"	402.058558	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2K"	77.926316
"1107046"	805.124392	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2K+H"	78.933592
"1340150"	805.212007	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+DMSO+H"	79.021207
"1013054"	809.251176	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2ACN+H"	83.060376
"1533366"	810.244808	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+IsoProp+Na+H"	84.054008
"1000906"	405.129226	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+2ACN+2H"	84.067652
"1592128"	811.159428	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+K+HCOOH"	84.968628
"1414262"	841.190938	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+H+CF3COOH"	115.000138
"1153543"	425.642501	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+3ACN+2H"	125.094202
"1697747"	858.217485	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+NH4+CF3COOH"	132.026685
"1640932"	863.17288	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+Na+CF3COOH"	136.98208
"1578769"	879.14682	"C08547"	"Gomphrenin-V"	"C34H34N2O16"	"726.1908"	"M+K+CF3COOH"	152.95602
"812415"	326.1114	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M"	0
"979387"	307.09301	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-H2O-H"	-19.01839
"68723"	216.400324	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M-3H"	-3.021828
"507189"	325.104124	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M-3H"	-3.021828
"883900"	107.696524	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-3H"	-3.021828
"2474"	325.104124	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M-2H"	-2.014552
"442033"	488.159824	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M-2H"	-2.014552
"826398"	162.048424	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-2H"	-2.014552
"83108"	651.215524	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M-H"	-1.007276
"528134"	977.326924	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M-H"	-1.007276
"907039"	325.104124	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-H"	-1.007276
"52665"	668.242071	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M-2H+NH4"	16.019271
"490035"	994.353471	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M-2H+NH4"	16.019271
"867837"	342.130671	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-2H+NH4"	16.019271
"35741"	673.197466	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M-2H+Na"	20.974666
"474571"	999.308866	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M-2H+Na"	20.974666
"854197"	347.086066	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-2H+Na"	20.974666
"1623731"	347.086066	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Na-2H"	20.974666
"101355"	343.092463	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M-H+Cl"	33.962126
"545289"	506.148163	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M-H+Cl"	33.962126
"938808"	180.036763	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-H+Cl"	33.962126
"271897"	687.192202	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+Cl"	34.969402
"665412"	1013.303602	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+Cl"	34.969402
"1276727"	361.080802	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Cl"	34.969402
"20376"	689.171406	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M-2H+K"	36.948606
"461028"	1015.282806	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M-2H+K"	36.948606
"839922"	363.060006	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-2H+K"	36.948606
"1561223"	363.060006	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+K-2H"	36.948606
"946553"	371.109594	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-H+HCOOH"	44.998194
"367321"	697.221001	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+HCOOH-H"	44.998201
"353394"	711.236651	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+Hac-H"	59.013851
"1498944"	385.125251	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Hac-H"	59.013851
"969770"	393.091551	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-H+NaCOOH"	66.980151
"123051"	361.080802	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+2Cl"	69.938804
"560425"	524.136502	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+2Cl"	69.938804
"1028132"	198.025102	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2Cl"	69.938804
"1248803"	405.030285	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Br"	78.918885
"1315261"	407.086272	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Cl+HCOOH"	80.974872
"1328757"	429.068229	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Cl+NaCOOH"	102.956829
"924915"	439.096986	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M-H+CF3COOH"	112.985586
"1299801"	475.073664	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Cl+CF3COOH"	148.962264
"1372493"	291.098724	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H-2H2O"	-35.012676
"1388893"	309.1087	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H-H2O"	-17.0027
"285297"	653.230076	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+H"	1.007276
"678084"	979.341476	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+H"	1.007276
"1352243"	327.118676	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H"	1.007276
"126350"	327.118676	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+2H"	2.014552
"570903"	490.174376	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+2H"	2.014552
"1038729"	164.062976	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2H"	2.014552
"205046"	218.414876	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+3H"	3.021828
"646069"	327.118676	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+3H"	3.021828
"1169667"	109.711076	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+3H"	3.021828
"429659"	670.256623	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+NH4"	18.033823
"791746"	996.368023	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+NH4"	18.033823
"1689170"	344.145223	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+NH4"	18.033823
"335260"	335.6319495	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+H+NH4"	19.041099
"729873"	498.6876495	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+H+NH4"	19.041099
"1489161"	172.5762495	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H+NH4"	19.041099
"401281"	675.212018	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+Na"	22.989218
"769650"	1001.323418	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+Na"	22.989218
"1618432"	349.100618	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Na"	22.989218
"329651"	338.109647	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+H+Na"	23.996494
"722436"	501.165347	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+H+Na"	23.996494
"1475401"	175.053947	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H+Na"	23.996494
"1067310"	117.03839	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2H+Na"	25.00377
"1268136"	359.144886	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+CH3OH+H"	33.033486
"384523"	691.185958	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+K"	38.963158
"752094"	1017.297358	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+K"	38.963158
"1554754"	365.074558	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+K"	38.963158
"303665"	346.096617	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+H+K"	39.970434
"701554"	509.152317	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+H+K"	39.970434
"1451001"	183.040917	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H+K"	39.970434
"247258"	694.256626	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+ACN+H"	42.033826
"1223245"	368.145226	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+ACN+H"	42.033826
"1199475"	184.576251	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+ACN+2H"	43.041102
"194531"	697.19396	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+2Na-H"	44.97116
"636278"	1023.30536	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+2Na-H"	44.97116
"1137599"	371.08256	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2Na-H"	44.97116
"183819"	349.100618	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+2Na"	45.978436
"620462"	512.156318	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+2Na"	45.978436
"1125062"	186.044918	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2Na"	45.978436
"1408221"	124.365704	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H+2Na"	46.985712
"1439245"	373.124146	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H+HCOOH"	47.012746
"230032"	354.13364	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+3H2O+2H"	56.04448
"1517365"	387.17619	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+IsoProp+H"	61.06479
"419238"	357.087588	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+Na+K"	61.952376
"778045"	520.143288	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+Na+K"	61.952376
"1679849"	194.031888	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Na+K"	61.952376
"263089"	716.238568	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+ACN+Na"	64.015768
"1240986"	390.127168	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+ACN+Na"	64.015768
"1727483"	390.150693	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+NH4+HCOOH"	64.039293
"1191134"	131.693018	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+3Na"	68.967654
"1663214"	395.106088	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Na+HCOOH"	68.994688
"168982"	729.14184	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+2K-H"	76.91904
"607087"	1055.25324	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+2K-H"	76.91904
"1092329"	403.03044	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2K-H"	76.91904
"149875"	365.074558	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"2M+2K"	77.926316
"591622"	528.130258	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"3M+2K"	77.926316
"1073947"	202.018858	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2K"	77.926316
"1103875"	405.044992	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2K+H"	78.933592
"1340259"	405.132607	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+DMSO+H"	79.021207
"1012070"	409.171776	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2ACN+H"	83.060376
"1533474"	410.165408	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+IsoProp+Na+H"	84.054008
"999923"	205.089526	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+2ACN+2H"	84.067652
"1588958"	411.080028	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+K+HCOOH"	84.968628
"1415711"	441.111538	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+H+CF3COOH"	115.000138
"1149279"	225.602801	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+3ACN+2H"	125.094202
"1699922"	458.138085	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+NH4+CF3COOH"	132.026685
"1644322"	463.09348	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+Na+CF3COOH"	136.98208
"1578879"	479.06742	"C08548"	"Humilixanthin"	"C14H18N2O7"	"326.1114"	"M+K+CF3COOH"	152.95602
"809245"	308.1008	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M"	0
"978403"	289.08241	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-H2O-H"	-19.01839
"63847"	204.393257333333	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M-3H"	-3.021828
"502881"	307.093524	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M-3H"	-3.021828
"884010"	101.692990666667	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-3H"	-3.021828
"4041"	307.093524	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M-2H"	-2.014552
"442507"	461.143924	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M-2H"	-2.014552
"826508"	153.043124	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-2H"	-2.014552
"82488"	615.194324	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M-H"	-1.007276
"523870"	923.295124	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M-H"	-1.007276
"910676"	307.093524	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-H"	-1.007276
"52775"	632.220871	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M-2H+NH4"	16.019271
"489417"	940.321671	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M-2H+NH4"	16.019271
"866123"	324.120071	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-2H+NH4"	16.019271
"37308"	637.176266	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M-2H+Na"	20.974666
"474313"	945.277066	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M-2H+Na"	20.974666
"852120"	329.075466	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-2H+Na"	20.974666
"1622748"	329.075466	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Na-2H"	20.974666
"101465"	325.081863	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M-H+Cl"	33.962126
"542119"	479.132263	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M-H+Cl"	33.962126
"935638"	171.031463	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-H+Cl"	33.962126
"272007"	651.171002	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+Cl"	34.969402
"665886"	959.271802	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+Cl"	34.969402
"1279024"	343.070202	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Cl"	34.969402
"20486"	653.150206	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M-2H+K"	36.948606
"461138"	961.251006	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M-2H+K"	36.948606
"838939"	345.049406	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-2H+K"	36.948606
"1560241"	345.049406	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+K-2H"	36.948606
"946662"	353.098994	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-H+HCOOH"	44.998194
"366337"	661.199801	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+HCOOH-H"	44.998201
"353504"	675.215451	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+Hac-H"	59.013851
"1498689"	367.114651	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Hac-H"	59.013851
"969879"	375.080951	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-H+NaCOOH"	66.980151
"119879"	343.070202	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+2Cl"	69.938804
"559441"	497.120602	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+2Cl"	69.938804
"1031522"	189.019802	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2Cl"	69.938804
"1252193"	387.019685	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Br"	78.918885
"1309900"	389.075672	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Cl+HCOOH"	80.974872
"1332513"	411.057629	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Cl+NaCOOH"	102.956829
"924296"	421.086386	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M-H+CF3COOH"	112.985586
"1301005"	457.063064	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Cl+CF3COOH"	148.962264
"1372603"	273.088124	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H-2H2O"	-35.012676
"1386817"	291.0981	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H-H2O"	-17.0027
"283583"	617.208876	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+H"	1.007276
"677219"	925.309676	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+H"	1.007276
"1351744"	309.108076	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H"	1.007276
"126828"	309.108076	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+2H"	2.014552
"569920"	463.158476	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+2H"	2.014552
"1038717"	155.057676	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2H"	2.014552
"205762"	206.407809333333	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+3H"	3.021828
"646179"	309.108076	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+3H"	3.021828
"1170871"	103.707542666667	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+3H"	3.021828
"434143"	634.235423	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+NH4"	18.033823
"789670"	942.336223	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+NH4"	18.033823
"1687093"	326.134623	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+NH4"	18.033823
"338649"	317.6213495	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+H+NH4"	19.041099
"729979"	471.6717495	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+H+NH4"	19.041099
"1485990"	163.5709495	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H+NH4"	19.041099
"401391"	639.190818	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+Na"	22.989218
"769073"	947.291618	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+Na"	22.989218
"1617656"	331.090018	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Na"	22.989218
"329805"	320.099047	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+H+Na"	23.996494
"722630"	474.149447	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+H+Na"	23.996494
"1476490"	166.048647	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H+Na"	23.996494
"1067543"	111.034856666667	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2H+Na"	25.00377
"1271528"	341.134286	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+CH3OH+H"	33.033486
"387914"	655.164758	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+K"	38.963158
"751840"	963.265558	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+K"	38.963158
"1554257"	347.063958	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+K"	38.963158
"302683"	328.086017	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+H+K"	39.970434
"700572"	482.136417	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+H+K"	39.970434
"1454392"	174.035617	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H+K"	39.970434
"248460"	658.235426	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+ACN+H"	42.033826
"1221168"	350.134626	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+ACN+H"	42.033826
"1200679"	175.570951	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+ACN+2H"	43.041102
"194642"	661.17276	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+2Na-H"	44.97116
"636390"	969.27356	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+2Na-H"	44.97116
"1138803"	353.07196	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2Na-H"	44.97116
"183930"	331.090018	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+2Na"	45.978436
"620572"	485.140418	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+2Na"	45.978436
"1124082"	177.039618	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2Na"	45.978436
"1408695"	118.362170666667	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H+2Na"	46.985712
"1437532"	355.113546	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H+HCOOH"	47.012746
"230507"	336.12304	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+3H2O+2H"	56.04448
"1517475"	369.16559	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+IsoProp+H"	61.06479
"421170"	339.076988	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+Na+K"	61.952376
"781435"	493.127388	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+Na+K"	61.952376
"1676679"	185.026588	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Na+K"	61.952376
"263199"	680.217368	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+ACN+Na"	64.015768
"1240651"	372.116568	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+ACN+Na"	64.015768
"1727228"	372.140093	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+NH4+HCOOH"	64.039293
"1193429"	125.689484666667	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+3Na"	68.967654
"1662230"	377.095488	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Na+HCOOH"	68.994688
"170186"	693.12064	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+2K-H"	76.91904
"609383"	1001.22144	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+2K-H"	76.91904
"1093899"	385.01984	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2K-H"	76.91904
"151444"	347.063958	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"2M+2K"	77.926316
"592825"	501.114358	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"3M+2K"	77.926316
"1075150"	193.013558	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2K"	77.926316
"1101799"	387.034392	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2K+H"	78.933592
"1342558"	387.122007	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+DMSO+H"	79.021207
"1014367"	391.161176	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2ACN+H"	83.060376
"1531399"	392.154808	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+IsoProp+Na+H"	84.054008
"996753"	196.084226	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+2ACN+2H"	84.067652
"1590161"	393.069428	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+K+HCOOH"	84.968628
"1415821"	423.100938	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+H+CF3COOH"	115.000138
"1152670"	216.597501	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+3ACN+2H"	125.094202
"1700033"	440.127485	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+NH4+CF3COOH"	132.026685
"1644432"	445.08288	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+Na+CF3COOH"	136.98208
"1578989"	461.05682	"C08549"	"Indicaxanthin"	"C14H16N2O6"	"308.1008"	"M+K+CF3COOH"	152.95602
"809355"	870.2178	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M"	0
"979607"	851.19941	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-H2O-H"	-19.01839
"62943"	579.137924	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M-3H"	-3.021828
"502882"	869.210524	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M-3H"	-3.021828
"881931"	289.065324	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-3H"	-3.021828
"178"	869.210524	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M-2H"	-2.014552
"439968"	1304.319424	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M-2H"	-2.014552
"818962"	434.101624	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-2H"	-2.014552
"79433"	1739.428324	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M-H"	-1.007276
"519236"	2609.646124	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M-H"	-1.007276
"906160"	869.210524	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-H"	-1.007276
"52885"	1756.454871	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M-2H+NH4"	16.019271
"487342"	2626.672671	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M-2H+NH4"	16.019271
"865138"	886.237071	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-2H+NH4"	16.019271
"34138"	1761.410266	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M-2H+Na"	20.974666
"472235"	2631.628066	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M-2H+Na"	20.974666
"851501"	891.192466	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-2H+Na"	20.974666
"1621765"	891.192466	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Na-2H"	20.974666
"101575"	887.198863	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M-H+Cl"	33.962126
"542229"	1322.307763	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M-H+Cl"	33.962126
"935748"	452.089963	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-H+Cl"	33.962126
"272117"	1775.405002	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+Cl"	34.969402
"664902"	2645.622802	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+Cl"	34.969402
"1278041"	905.187202	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Cl"	34.969402
"21690"	1777.384206	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M-2H+K"	36.948606
"459061"	2647.602006	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M-2H+K"	36.948606
"834551"	907.166406	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-2H+K"	36.948606
"1560351"	907.166406	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+K-2H"	36.948606
"944952"	915.215994	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-H+HCOOH"	44.998194
"362800"	1785.433801	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+HCOOH-H"	44.998201
"346148"	1799.449451	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+Hac-H"	59.013851
"1493035"	929.231651	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Hac-H"	59.013851
"958525"	937.197951	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-H+NaCOOH"	66.980151
"110872"	905.187202	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+2Cl"	69.938804
"560645"	1340.296102	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+2Cl"	69.938804
"1030539"	470.078302	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2Cl"	69.938804
"1253396"	949.136685	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Br"	78.918885
"1310010"	951.192672	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Cl+HCOOH"	80.974872
"1331164"	973.174629	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Cl+NaCOOH"	102.956829
"922218"	983.203386	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M-H+CF3COOH"	112.985586
"1298928"	1019.180064	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Cl+CF3COOH"	148.962264
"1373806"	835.205124	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H-2H2O"	-35.012676
"1386927"	853.2151	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H-H2O"	-17.0027
"282885"	1741.442876	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+H"	1.007276
"677208"	2611.660676	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+H"	1.007276
"1352096"	871.225076	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H"	1.007276
"126452"	871.225076	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+2H"	2.014552
"573310"	1306.333976	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+2H"	2.014552
"1038584"	436.116176	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2H"	2.014552
"205630"	581.152476	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+3H"	3.021828
"649570"	871.225076	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+3H"	3.021828
"1172076"	291.079876	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+3H"	3.021828
"432067"	1758.469423	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+NH4"	18.033823
"788687"	2628.687223	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+NH4"	18.033823
"1689390"	888.251623	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+NH4"	18.033823
"335479"	879.7383495	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+H+NH4"	19.041099
"730089"	1314.8472495	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+H+NH4"	19.041099
"1485005"	444.6294495	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H+NH4"	19.041099
"402594"	1763.424818	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+Na"	22.989218
"769759"	2633.642618	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+Na"	22.989218
"1613874"	893.207018	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Na"	22.989218
"329746"	882.216047	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+H+Na"	23.996494
"722573"	1317.324947	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+H+Na"	23.996494
"1475260"	447.107147	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H+Na"	23.996494
"1066560"	298.40719	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2H+Na"	25.00377
"1270545"	903.251286	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+CH3OH+H"	33.033486
"390211"	1779.398758	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+K"	38.963158
"750128"	2649.616558	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+K"	38.963158
"1552546"	909.180958	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+K"	38.963158
"306076"	890.203017	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+H+K"	39.970434
"705424"	1325.311917	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+H+K"	39.970434
"1459606"	455.094117	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H+K"	39.970434
"247476"	1782.469426	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+ACN+H"	42.033826
"1224556"	912.251626	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+ACN+H"	42.033826
"1204070"	456.629451	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+ACN+2H"	43.041102
"196939"	1785.40676	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+2Na-H"	44.97116
"639779"	2655.62456	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+2Na-H"	44.97116
"1141099"	915.18896	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2Na-H"	44.97116
"182218"	893.207018	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+2Na"	45.978436
"622869"	1328.315918	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+2Na"	45.978436
"1126379"	458.098118	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2Na"	45.978436
"1409899"	305.734504	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H+2Na"	46.985712
"1440923"	917.230546	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H+HCOOH"	47.012746
"229526"	898.24004	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+3H2O+2H"	56.04448
"1517585"	931.28259	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+IsoProp+H"	61.06479
"419460"	901.193988	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+Na+K"	61.952376
"783733"	1336.302888	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+Na+K"	61.952376
"1676789"	466.085088	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Na+K"	61.952376
"261121"	1804.451368	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+ACN+Na"	64.015768
"1239298"	934.233568	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+ACN+Na"	64.015768
"1727092"	934.257093	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+NH4+HCOOH"	64.039293
"1192085"	313.061818	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+3Na"	68.967654
"1663433"	939.212488	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Na+HCOOH"	68.994688
"170295"	1817.35464	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+2K-H"	76.91904
"609857"	2687.57244	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+2K-H"	76.91904
"1094372"	947.13684	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2K-H"	76.91904
"152281"	909.180958	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"2M+2K"	77.926316
"587467"	1344.289858	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"3M+2K"	77.926316
"1077447"	474.072058	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2K"	77.926316
"1109562"	949.151392	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2K+H"	78.933592
"1343761"	949.239007	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+DMSO+H"	79.021207
"1014477"	953.278176	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2ACN+H"	83.060376
"1532603"	954.271808	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+IsoProp+Na+H"	84.054008
"997956"	477.142726	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+2ACN+2H"	84.067652
"1590271"	955.186428	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+K+HCOOH"	84.968628
"1416295"	985.217938	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+H+CF3COOH"	115.000138
"1153873"	497.656001	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+3ACN+2H"	125.094202
"1703423"	1002.244485	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+NH4+CF3COOH"	132.026685
"1644542"	1007.19988	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+Na+CF3COOH"	136.98208
"1579099"	1023.17382	"C08550"	"Iresinin I"	"C36H42N2O23"	"870.2178"	"M+K+CF3COOH"	152.95602
"809465"	550.1435	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M"	0
"977530"	531.12511	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-H2O-H"	-19.01839
"63043"	365.755057333333	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M-3H"	-3.021828
"503089"	549.136224	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M-3H"	-3.021828
"882041"	182.373890666667	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-3H"	-3.021828
"248"	549.136224	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M-2H"	-2.014552
"440165"	824.207974	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M-2H"	-2.014552
"817854"	274.064474	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-2H"	-2.014552
"78734"	1099.279724	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M-H"	-1.007276
"518860"	1649.423224	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M-H"	-1.007276
"904083"	549.136224	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-H"	-1.007276
"52995"	1116.306271	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M-2H+NH4"	16.019271
"488181"	1666.449771	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M-2H+NH4"	16.019271
"865248"	566.162771	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-2H+NH4"	16.019271
"33884"	1121.261666	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M-2H+Na"	20.974666
"473074"	1671.405166	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M-2H+Na"	20.974666
"854527"	571.118166	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-2H+Na"	20.974666
"1622968"	571.118166	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Na-2H"	20.974666
"104965"	567.124563	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M-H+Cl"	33.962126
"542339"	842.196313	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M-H+Cl"	33.962126
"931484"	292.052813	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-H+Cl"	33.962126
"271134"	1135.256402	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+Cl"	34.969402
"662462"	1685.399902	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+Cl"	34.969402
"1278151"	585.112902	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Cl"	34.969402
"21071"	1137.235606	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M-2H+K"	36.948606
"458078"	1687.379106	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M-2H+K"	36.948606
"834055"	587.092106	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-2H+K"	36.948606
"1561553"	587.092106	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+K-2H"	36.948606
"946155"	595.141694	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-H+HCOOH"	44.998194
"363639"	1145.285201	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+HCOOH-H"	44.998201
"345700"	1159.300851	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+Hac-H"	59.013851
"1492748"	609.157351	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Hac-H"	59.013851
"958614"	617.123651	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-H+NaCOOH"	66.980151
"110618"	585.112902	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+2Cl"	69.938804
"556743"	860.184652	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+2Cl"	69.938804
"1029919"	310.041152	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2Cl"	69.938804
"1252413"	629.062385	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Br"	78.918885
"1311579"	631.118372	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Cl+HCOOH"	80.974872
"1331274"	653.100329	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Cl+NaCOOH"	102.956829
"920141"	663.129086	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M-H+CF3COOH"	112.985586
"1299038"	699.105764	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Cl+CF3COOH"	148.962264
"1373916"	515.130824	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H-2H2O"	-35.012676
"1385577"	533.1408	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H-H2O"	-17.0027
"284534"	1101.294276	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+H"	1.007276
"677076"	1651.437776	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+H"	1.007276
"1351717"	551.150776	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H"	1.007276
"125833"	551.150776	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+2H"	2.014552
"571233"	826.222526	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+2H"	2.014552
"1038938"	276.079026	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2H"	2.014552
"204642"	367.769609333333	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+3H"	3.021828
"650773"	551.150776	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+3H"	3.021828
"1171093"	184.388442666667	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+3H"	3.021828
"435456"	1118.320823	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+NH4"	18.033823
"792076"	1668.464323	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+NH4"	18.033823
"1688407"	568.177323	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+NH4"	18.033823
"334494"	559.6640495	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+H+NH4"	19.041099
"731290"	834.7357995	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+H+NH4"	19.041099
"1487297"	284.5922995	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H+NH4"	19.041099
"400514"	1123.276218	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+Na"	22.989218
"769173"	1673.419718	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+Na"	22.989218
"1613984"	573.132718	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Na"	22.989218
"329494"	562.141747	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+H+Na"	23.996494
"721060"	837.213497	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+H+Na"	23.996494
"1476463"	287.069997	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H+Na"	23.996494
"1068170"	191.715756666667	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2H+Na"	25.00377
"1268467"	583.176986	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+CH3OH+H"	33.033486
"385947"	1139.250158	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+K"	38.963158
"752791"	1689.393658	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+K"	38.963158
"1551196"	589.106658	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+K"	38.963158
"309464"	570.128717	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+H+K"	39.970434
"705894"	845.200467	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+H+K"	39.970434
"1457889"	295.056967	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H+K"	39.970434
"247587"	1142.320826	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+ACN+H"	42.033826
"1222482"	592.177326	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+ACN+H"	42.033826
"1201993"	296.592301	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+ACN+2H"	43.041102
"195956"	1145.25816	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+2Na-H"	44.97116
"638796"	1695.40166	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+2Na-H"	44.97116
"1137929"	595.11466	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2Na-H"	44.97116
"183058"	573.132718	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+2Na"	45.978436
"625532"	848.204468	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+2Na"	45.978436
"1129038"	298.060968	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2Na"	45.978436
"1410008"	199.043070666667	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H+2Na"	46.985712
"1439938"	597.156246	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H+HCOOH"	47.012746
"230725"	578.16574	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+3H2O+2H"	56.04448
"1519518"	611.20829	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+IsoProp+H"	61.06479
"422485"	581.119688	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+Na+K"	61.952376
"781291"	856.191438	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+Na+K"	61.952376
"1676899"	306.047938	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Na+K"	61.952376
"261231"	1164.302768	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+ACN+Na"	64.015768
"1239408"	614.159268	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+ACN+Na"	64.015768
"1728421"	614.182793	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+NH4+HCOOH"	64.039293
"1194138"	206.370384666667	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+3Na"	68.967654
"1663543"	619.138188	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Na+HCOOH"	68.994688
"169311"	1177.20604	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+2K-H"	76.91904
"611062"	1727.34954	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+2K-H"	76.91904
"1095941"	627.06254	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2K-H"	76.91904
"152391"	589.106658	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"2M+2K"	77.926316
"594137"	864.178408	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"3M+2K"	77.926316
"1080837"	314.034908	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2K"	77.926316
"1111859"	629.077092	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2K+H"	78.933592
"1343871"	629.164707	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+DMSO+H"	79.021207
"1016774"	633.203876	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2ACN+H"	83.060376
"1534899"	634.197508	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+IsoProp+Na+H"	84.054008
"995879"	317.105576	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+2ACN+2H"	84.067652
"1590381"	635.112128	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+K+HCOOH"	84.968628
"1418227"	665.143638	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+H+CF3COOH"	115.000138
"1153983"	337.618851	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+3ACN+2H"	125.094202
"1700253"	682.170185	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+NH4+CF3COOH"	132.026685
"1644652"	687.12558	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+Na+CF3COOH"	136.98208
"1579209"	703.09952	"C08551"	"Isobetanin"	"C24H26N2O13"	"550.1435"	"M+K+CF3COOH"	152.95602
"809575"	726.1908	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M"	0
"979827"	707.17241	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-H2O-H"	-19.01839
"64789"	483.119924	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M-3H"	-3.021828
"504348"	725.183524	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M-3H"	-3.021828
"882151"	241.056324	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-3H"	-3.021828
"962"	725.183524	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M-2H"	-2.014552
"441372"	1088.278924	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M-2H"	-2.014552
"817843"	362.088124	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-2H"	-2.014552
"82082"	1451.374324	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M-H"	-1.007276
"521642"	2177.565124	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M-H"	-1.007276
"904193"	725.183524	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-H"	-1.007276
"53105"	1468.400871	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M-2H+NH4"	16.019271
"488412"	2194.591671	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M-2H+NH4"	16.019271
"866813"	742.210071	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-2H+NH4"	16.019271
"36181"	1473.356266	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M-2H+Na"	20.974666
"472579"	2199.547066	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M-2H+Na"	20.974666
"854637"	747.165466	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-2H+Na"	20.974666
"1621985"	747.165466	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Na-2H"	20.974666
"105075"	743.171863	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M-H+Cl"	33.962126
"542449"	1106.267263	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M-H+Cl"	33.962126
"929406"	380.076463	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-H+Cl"	33.962126
"271244"	1487.351002	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+Cl"	34.969402
"663665"	2213.541802	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+Cl"	34.969402
"1276803"	761.160202	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Cl"	34.969402
"20087"	1489.330206	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M-2H+K"	36.948606
"458552"	2215.521006	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M-2H+K"	36.948606
"834043"	763.139406	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-2H+K"	36.948606
"1559477"	763.139406	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+K-2H"	36.948606
"945172"	771.188994	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-H+HCOOH"	44.998194
"364844"	1497.379801	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+HCOOH-H"	44.998201
"347265"	1511.395451	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+Hac-H"	59.013851
"1495004"	785.204651	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Hac-H"	59.013851
"959627"	793.170951	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-H+NaCOOH"	66.980151
"110841"	761.160202	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+2Cl"	69.938804
"557949"	1124.255602	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+2Cl"	69.938804
"1026384"	398.064802	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2Cl"	69.938804
"1250336"	805.109685	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Br"	78.918885
"1309138"	807.165672	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Cl+HCOOH"	80.974872
"1332842"	829.147629	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Cl+NaCOOH"	102.956829
"924629"	839.176386	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M-H+CF3COOH"	112.985586
"1299150"	875.153064	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Cl+CF3COOH"	148.962264
"1376215"	691.178124	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H-2H2O"	-35.012676
"1387148"	709.1881	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H-H2O"	-17.0027
"284523"	1453.388876	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+H"	1.007276
"683631"	2179.579676	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+H"	1.007276
"1354874"	727.198076	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H"	1.007276
"125980"	727.198076	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+2H"	2.014552
"572438"	1090.293476	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+2H"	2.014552
"1045610"	364.102676	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2H"	2.014552
"211323"	485.134476	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+3H"	3.021828
"651978"	727.198076	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+3H"	3.021828
"1170109"	243.070876	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+3H"	3.021828
"437030"	1470.415423	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+NH4"	18.033823
"799481"	2196.606223	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+NH4"	18.033823
"1687427"	744.224623	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+NH4"	18.033823
"338980"	735.7113495	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+H+NH4"	19.041099
"731400"	1098.8067495	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+H+NH4"	19.041099
"1487407"	372.6159495	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H+NH4"	19.041099
"408043"	1475.370818	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+Na"	22.989218
"769161"	2201.561618	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+Na"	22.989218
"1617751"	749.180018	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Na"	22.989218
"328881"	738.189047	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+H+Na"	23.996494
"722516"	1101.284447	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+H+Na"	23.996494
"1473658"	375.093647	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H+Na"	23.996494
"1066902"	250.39819	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2H+Na"	25.00377
"1270766"	759.224286	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+CH3OH+H"	33.033486
"388245"	1491.344758	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+K"	38.963158
"748162"	2217.535558	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+K"	38.963158
"1551305"	765.153958	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+K"	38.963158
"307387"	746.176017	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+H+K"	39.970434
"704180"	1109.271417	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+H+K"	39.970434
"1456907"	383.080617	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H+K"	39.970434
"245509"	1494.415426	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+ACN+H"	42.033826
"1219313"	768.224626	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+ACN+H"	42.033826
"1202103"	384.615951	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+ACN+2H"	43.041102
"197159"	1497.35276	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+2Na-H"	44.97116
"638906"	2223.54356	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+2Na-H"	44.97116
"1138039"	771.16196	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2Na-H"	44.97116
"178051"	749.180018	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+2Na"	45.978436
"625278"	1112.275418	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+2Na"	45.978436
"1127690"	386.084618	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2Na"	45.978436
"1411211"	257.725504	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H+2Na"	46.985712
"1442234"	773.203546	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H+HCOOH"	47.012746
"229742"	754.21304	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+3H2O+2H"	56.04448
"1518898"	787.25559	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+IsoProp+H"	61.06479
"422594"	757.166988	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+Na+K"	61.952376
"782859"	1120.262388	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+Na+K"	61.952376
"1677006"	394.071588	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Na+K"	61.952376
"261339"	1516.397368	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+ACN+Na"	64.015768
"1237330"	790.206568	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+ACN+Na"	64.015768
"1727921"	790.230093	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+NH4+HCOOH"	64.039293
"1193031"	265.052818	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+3Na"	68.967654
"1663289"	795.185488	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Na+HCOOH"	68.994688
"169421"	1529.30064	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+2K-H"	76.91904
"607890"	2255.49144	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+2K-H"	76.91904
"1094956"	803.10984	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2K-H"	76.91904
"149950"	765.153958	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"2M+2K"	77.926316
"587687"	1128.249358	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"3M+2K"	77.926316
"1077668"	402.058558	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2K"	77.926316
"1108689"	805.124392	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2K+H"	78.933592
"1342885"	805.212007	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+DMSO+H"	79.021207
"1010321"	809.251176	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2ACN+H"	83.060376
"1526379"	810.244808	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+IsoProp+Na+H"	84.054008
"992706"	405.129226	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+2ACN+2H"	84.067652
"1592677"	811.159428	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+K+HCOOH"	84.968628
"1414448"	841.190938	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+H+CF3COOH"	115.000138
"1155187"	425.642501	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+3ACN+2H"	125.094202
"1700363"	858.217485	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+NH4+CF3COOH"	132.026685
"1644762"	863.17288	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+Na+CF3COOH"	136.98208
"1579319"	879.14682	"C08552"	"Lampranthin II"	"C34H34N2O16"	"726.1908"	"M+K+CF3COOH"	152.95602
"815518"	584.4288	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M"	0
"981032"	565.41041	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-H2O-H"	-19.01839
"69275"	388.611924	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M-3H"	-3.021828
"508834"	583.421524	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M-3H"	-3.021828
"883355"	193.802324	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-3H"	-3.021828
"5211"	583.421524	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M-2H"	-2.014552
"442584"	875.635924	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M-2H"	-2.014552
"829136"	291.207124	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-2H"	-2.014552
"83658"	1167.850324	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M-H"	-1.007276
"522126"	1752.279124	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M-H"	-1.007276
"910140"	583.421524	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-H"	-1.007276
"53215"	1184.876871	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M-2H+NH4"	16.019271
"490588"	1769.305671	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M-2H+NH4"	16.019271
"867295"	600.448071	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-2H+NH4"	16.019271
"39571"	1189.832266	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M-2H+Na"	20.974666
"476944"	1774.261066	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M-2H+Na"	20.974666
"861308"	605.403466	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-2H+Na"	20.974666
"1630846"	605.403466	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Na-2H"	20.974666
"106280"	601.409863	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M-H+Cl"	33.962126
"538187"	893.624263	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M-H+Cl"	33.962126
"930609"	309.195463	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-H+Cl"	33.962126
"272447"	1203.827002	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+Cl"	34.969402
"663775"	1788.255802	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+Cl"	34.969402
"1278734"	619.398202	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Cl"	34.969402
"21656"	1205.806206	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M-2H+K"	36.948606
"463766"	1790.235006	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M-2H+K"	36.948606
"838652"	621.377406	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-2H+K"	36.948606
"1565421"	621.377406	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+K-2H"	36.948606
"950388"	629.426994	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-H+HCOOH"	44.998194
"368238"	1213.855801	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+HCOOH-H"	44.998201
"350297"	1227.871451	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+Hac-H"	59.013851
"1500223"	643.442651	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Hac-H"	59.013851
"959500"	651.408951	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-H+NaCOOH"	66.980151
"113755"	619.398202	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+2Cl"	69.938804
"556233"	911.612602	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+2Cl"	69.938804
"1028315"	327.183802	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2Cl"	69.938804
"1245706"	663.347685	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Br"	78.918885
"1307790"	665.403672	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Cl+HCOOH"	80.974872
"1323464"	687.385629	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Cl+NaCOOH"	102.956829
"923283"	697.414386	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M-H+CF3COOH"	112.985586
"1302540"	733.391064	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Cl+CF3COOH"	148.962264
"1376326"	549.416124	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H-2H2O"	-35.012676
"1389447"	567.4261	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H-H2O"	-17.0027
"289134"	1169.864876	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+H"	1.007276
"678273"	1754.293676	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+H"	1.007276
"1353530"	585.436076	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H"	1.007276
"130432"	585.436076	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+2H"	2.014552
"574734"	877.650476	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+2H"	2.014552
"1049003"	293.221676	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2H"	2.014552
"211434"	390.626476	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+3H"	3.021828
"654276"	585.436076	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+3H"	3.021828
"1177509"	195.816876	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+3H"	3.021828
"439816"	1186.891423	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+NH4"	18.033823
"801216"	1771.320223	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+NH4"	18.033823
"1691909"	602.462623	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+NH4"	18.033823
"339090"	593.9493495	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+H+NH4"	19.041099
"730416"	886.1637495	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+H+NH4"	19.041099
"1488610"	301.7349495	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H+NH4"	19.041099
"408162"	1191.846818	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+Na"	22.989218
"769393"	1776.275618	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+Na"	22.989218
"1617255"	607.418018	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Na"	22.989218
"329639"	596.427047	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+H+Na"	23.996494
"722669"	888.641447	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+H+Na"	23.996494
"1476810"	304.212647	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H+Na"	23.996494
"1067944"	203.14419	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2H+Na"	25.00377
"1272339"	617.462286	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+CH3OH+H"	33.033486
"391271"	1207.820758	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+K"	38.963158
"748269"	1792.249558	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+K"	38.963158
"1553239"	623.391958	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+K"	38.963158
"311870"	604.414017	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+H+K"	39.970434
"703201"	896.628417	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+H+K"	39.970434
"1459206"	312.199617	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H+K"	39.970434
"247809"	1210.891426	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+ACN+H"	42.033826
"1221609"	626.462626	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+ACN+H"	42.033826
"1198205"	313.734951	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+ACN+2H"	43.041102
"193992"	1213.82876	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+2Na-H"	44.97116
"634645"	1798.25756	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+2Na-H"	44.97116
"1140336"	629.39996	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2Na-H"	44.97116
"176704"	607.418018	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+2Na"	45.978436
"625753"	899.632418	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+2Na"	45.978436
"1127798"	315.203618	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2Na"	45.978436
"1412293"	210.471504	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H+2Na"	46.985712
"1443439"	631.441546	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H+HCOOH"	47.012746
"232771"	612.45104	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+3H2O+2H"	56.04448
"1521196"	645.49359	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+IsoProp+H"	61.06479
"421976"	615.404988	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+Na+K"	61.952376
"784793"	907.619388	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+Na+K"	61.952376
"1680032"	323.190588	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Na+K"	61.952376
"263638"	1232.873368	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+ACN+Na"	64.015768
"1237810"	648.444568	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+ACN+Na"	64.015768
"1725967"	648.468093	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+NH4+HCOOH"	64.039293
"1189499"	217.798818	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+3Na"	68.967654
"1661942"	653.423488	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Na+HCOOH"	68.994688
"168076"	1245.77664	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+2K-H"	76.91904
"604720"	1830.20544	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+2K-H"	76.91904
"1090329"	661.34784	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2K-H"	76.91904
"143862"	623.391958	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"2M+2K"	77.926316
"584517"	915.606358	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"3M+2K"	77.926316
"1070122"	331.177558	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2K"	77.926316
"1107703"	663.362392	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2K+H"	78.933592
"1340807"	663.450007	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+DMSO+H"	79.021207
"1013709"	667.489176	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2ACN+H"	83.060376
"1532926"	668.482808	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+IsoProp+Na+H"	84.054008
"997188"	334.248226	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+2ACN+2H"	84.067652
"1594972"	669.397428	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+K+HCOOH"	84.968628
"1422818"	699.428938	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+H+CF3COOH"	115.000138
"1156387"	354.761501	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+3ACN+2H"	125.094202
"1701564"	716.455485	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+NH4+CF3COOH"	132.026685
"1635393"	721.41088	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+Na+CF3COOH"	136.98208
"1579429"	737.38482	"C08553"	"PM-Toxin A;(4R12R20R28R)-4122028-Tetrahydroxy-2101826-tritriacontanetetrone"	"C33H60O8"	"584.4288"	"M+K+CF3COOH"	152.95602
"814899"	358.0835	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M"	0
"980048"	339.06511	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-H2O-H"	-19.01839
"69385"	237.715057333333	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M-3H"	-3.021828
"506758"	357.076224	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M-3H"	-3.021828
"881279"	118.353890666667	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-3H"	-3.021828
"3134"	357.076224	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M-2H"	-2.014552
"442329"	536.117974	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M-2H"	-2.014552
"829246"	178.034474	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-2H"	-2.014552
"83768"	715.159724	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M-H"	-1.007276
"524422"	1073.243224	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M-H"	-1.007276
"908791"	357.076224	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-H"	-1.007276
"53325"	732.186271	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M-2H+NH4"	16.019271
"490698"	1090.269771	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M-2H+NH4"	16.019271
"865947"	374.102771	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-2H+NH4"	16.019271
"39681"	737.141666	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M-2H+Na"	20.974666
"477054"	1095.225166	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M-2H+Na"	20.974666
"858138"	379.058166	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-2H+Na"	20.974666
"1626581"	379.058166	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Na-2H"	20.974666
"106390"	375.064563	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M-H+Cl"	33.962126
"537204"	554.106313	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M-H+Cl"	33.962126
"930719"	196.022813	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-H+Cl"	33.962126
"272557"	751.136402	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+Cl"	34.969402
"662062"	1109.219902	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+Cl"	34.969402
"1278844"	393.052902	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Cl"	34.969402
"22859"	753.115606	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M-2H+K"	36.948606
"462782"	1111.199106	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M-2H+K"	36.948606
"841677"	395.032106	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-2H+K"	36.948606
"1564802"	395.032106	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+K-2H"	36.948606
"951226"	403.081694	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-H+HCOOH"	44.998194
"367254"	761.165201	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+HCOOH-H"	44.998201
"351136"	775.180851	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+Hac-H"	59.013851
"1500333"	417.097351	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Hac-H"	59.013851
"959489"	425.063651	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-H+NaCOOH"	66.980151
"112041"	393.052902	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+2Cl"	69.938804
"554520"	572.094652	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+2Cl"	69.938804
"1021777"	214.011152	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2Cl"	69.938804
"1245816"	437.002385	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Br"	78.918885
"1308629"	439.058372	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Cl+HCOOH"	80.974872
"1323574"	461.040329	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Cl+NaCOOH"	102.956829
"923758"	471.069086	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M-H+CF3COOH"	112.985586
"1300099"	507.045764	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Cl+CF3COOH"	148.962264
"1378623"	323.070824	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H-2H2O"	-35.012676
"1390650"	341.0808	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H-H2O"	-17.0027
"290337"	717.174276	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+H"	1.007276
"678383"	1075.257776	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+H"	1.007276
"1353640"	359.090776	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H"	1.007276
"132000"	359.090776	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+2H"	2.014552
"578123"	538.132526	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+2H"	2.014552
"1046925"	180.049026	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2H"	2.014552
"213729"	239.729609333333	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+3H"	3.021828
"655479"	359.090776	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+3H"	3.021828
"1177986"	120.368442666667	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+3H"	3.021828
"433599"	734.200823	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+NH4"	18.033823
"801041"	1092.284323	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+NH4"	18.033823
"1692019"	376.117323	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+NH4"	18.033823
"342479"	367.6040495	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+H+NH4"	19.041099
"730526"	546.6457995	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+H+NH4"	19.041099
"1483253"	188.5622995	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H+NH4"	19.041099
"408232"	739.156218	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+Na"	22.989218
"769871"	1097.239718	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+Na"	22.989218
"1617975"	381.072718	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Na"	22.989218
"329825"	370.081747	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+H+Na"	23.996494
"722580"	549.123497	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+H+Na"	23.996494
"1475339"	191.039997	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H+Na"	23.996494
"1068303"	127.695756666667	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2H+Na"	25.00377
"1272655"	391.116986	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+CH3OH+H"	33.033486
"391017"	755.130158	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+K"	38.963158
"746192"	1113.213658	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+K"	38.963158
"1552620"	397.046658	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+K"	38.963158
"310886"	378.068717	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+H+K"	39.970434
"705131"	557.110467	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+H+K"	39.970434
"1457129"	199.026967	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H+K"	39.970434
"245732"	758.200826	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+ACN+H"	42.033826
"1221355"	400.117326	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+ACN+H"	42.033826
"1200502"	200.562301	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+ACN+2H"	43.041102
"194466"	761.13816	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+2Na-H"	44.97116
"634027"	1119.22166	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+2Na-H"	44.97116
"1140446"	403.05466	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2Na-H"	44.97116
"175719"	381.072718	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+2Na"	45.978436
"626591"	560.114468	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+2Na"	45.978436
"1127910"	202.030968	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2Na"	45.978436
"1409244"	135.023070666667	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H+2Na"	46.985712
"1444520"	405.096246	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H+HCOOH"	47.012746
"231059"	386.10574	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+3H2O+2H"	56.04448
"1519120"	419.14829	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+IsoProp+H"	61.06479
"420993"	389.059688	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+Na+K"	61.952376
"784782"	568.101438	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+Na+K"	61.952376
"1679413"	210.017938	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Na+K"	61.952376
"264476"	780.182768	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+ACN+Na"	64.015768
"1237919"	422.099268	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+ACN+Na"	64.015768
"1726076"	422.122793	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+NH4+HCOOH"	64.039293
"1191798"	142.350384666667	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+3Na"	68.967654
"1662780"	427.078188	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Na+HCOOH"	68.994688
"169279"	793.08604	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+2K-H"	76.91904
"605561"	1151.16954	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+2K-H"	76.91904
"1092263"	435.00254	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2K-H"	76.91904
"149439"	397.046658	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"2M+2K"	77.926316
"586814"	576.088408	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"3M+2K"	77.926316
"1075699"	218.004908	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2K"	77.926316
"1111093"	437.017092	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2K+H"	78.933592
"1342010"	437.104707	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+DMSO+H"	79.021207
"1010538"	441.143876	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2ACN+H"	83.060376
"1533037"	442.137508	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+IsoProp+Na+H"	84.054008
"995112"	221.075576	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+2ACN+2H"	84.067652
"1595082"	443.052128	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+K+HCOOH"	84.968628
"1422928"	473.083638	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+H+CF3COOH"	115.000138
"1156497"	241.588851	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+3ACN+2H"	125.094202
"1701674"	490.110185	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+NH4+CF3COOH"	132.026685
"1635624"	495.06558	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+Na+CF3COOH"	136.98208
"1579539"	511.03952	"C08554"	"Miraxanthin-I"	"C14H18N2O7S"	"358.0835"	"M+K+CF3COOH"	152.95602
"812093"	326.075	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M"	0
"980158"	307.05661	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-H2O-H"	-19.01839
"66215"	216.376057333333	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M-3H"	-3.021828
"504681"	325.067724	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M-3H"	-3.021828
"880658"	107.684390666667	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-3H"	-3.021828
"234"	325.067724	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M-2H"	-2.014552
"440159"	488.105224	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M-2H"	-2.014552
"822794"	162.030224	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-2H"	-2.014552
"81326"	651.142724	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M-H"	-1.007276
"518976"	977.217724	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M-H"	-1.007276
"898688"	325.067724	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-H"	-1.007276
"56715"	668.169271	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M-2H+NH4"	16.019271
"487528"	994.244271	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M-2H+NH4"	16.019271
"866782"	342.094271	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-2H+NH4"	16.019271
"36511"	673.124666	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M-2H+Na"	20.974666
"473884"	999.199666	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M-2H+Na"	20.974666
"858248"	347.049666	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-2H+Na"	20.974666
"1626691"	347.049666	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Na-2H"	20.974666
"105407"	343.056063	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M-H+Cl"	33.962126
"534598"	506.093563	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M-H+Cl"	33.962126
"929007"	180.018563	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-H+Cl"	33.962126
"271574"	687.119402	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+Cl"	34.969402
"662293"	1013.194402	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+Cl"	34.969402
"1280047"	361.044402	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Cl"	34.969402
"22605"	689.098606	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M-2H+K"	36.948606
"463986"	1015.173606	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M-2H+K"	36.948606
"839601"	363.023606	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-2H+K"	36.948606
"1566371"	363.023606	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+K-2H"	36.948606
"952065"	371.073194	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-H+HCOOH"	44.998194
"366271"	697.148201	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+HCOOH-H"	44.998201
"351610"	711.163851	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+Hac-H"	59.013851
"1500808"	385.088851	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Hac-H"	59.013851
"960691"	393.055151	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-H+NaCOOH"	66.980151
"112150"	361.044402	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+2Cl"	69.938804
"556089"	524.081902	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+2Cl"	69.938804
"1023427"	198.006902	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2Cl"	69.938804
"1246290"	404.993885	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Br"	78.918885
"1308741"	407.049872	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Cl+HCOOH"	80.974872
"1322225"	429.031829	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Cl+NaCOOH"	102.956829
"922773"	439.060586	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M-H+CF3COOH"	112.985586
"1297294"	475.037264	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Cl+CF3COOH"	148.962264
"1376546"	291.062324	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H-2H2O"	-35.012676
"1390760"	309.0723	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H-H2O"	-17.0027
"288260"	653.157276	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+H"	1.007276
"678493"	979.232276	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+H"	1.007276
"1353019"	327.082276	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H"	1.007276
"126035"	327.082276	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+2H"	2.014552
"573860"	490.119776	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+2H"	2.014552
"1045942"	164.044776	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2H"	2.014552
"210559"	218.390609333333	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+3H"	3.021828
"650124"	327.082276	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+3H"	3.021828
"1174811"	109.698942666667	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+3H"	3.021828
"433708"	670.183823	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+NH4"	18.033823
"801109"	996.258823	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+NH4"	18.033823
"1692129"	344.108823	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+NH4"	18.033823
"341496"	335.5955495	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+H+NH4"	19.041099
"729543"	498.6330495	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+H+NH4"	19.041099
"1482270"	172.5580495	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H+NH4"	19.041099
"408526"	675.139218	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+Na"	22.989218
"769369"	1001.214218	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+Na"	22.989218
"1618395"	349.064218	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Na"	22.989218
"329888"	338.073247	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+H+Na"	23.996494
"721990"	501.110747	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+H+Na"	23.996494
"1476055"	175.035747	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H+Na"	23.996494
"1068044"	117.026256666667	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2H+Na"	25.00377
"1271825"	359.108486	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+CH3OH+H"	33.033486
"391491"	691.113158	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+K"	38.963158
"745208"	1017.188158	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+K"	38.963158
"1551638"	365.038158	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+K"	38.963158
"309904"	346.060217	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+H+K"	39.970434
"703419"	509.097717	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+H+K"	39.970434
"1456146"	183.022717	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H+K"	39.970434
"242563"	694.183826	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+ACN+H"	42.033826
"1219643"	368.108826	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+ACN+H"	42.033826
"1198425"	184.558051	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+ACN+2H"	43.041102
"191295"	697.12116	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+2Na-H"	44.97116
"633043"	1023.19616	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+2Na-H"	44.97116
"1140556"	371.04616	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2Na-H"	44.97116
"175829"	349.064218	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+2Na"	45.978436
"623418"	512.101718	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+2Na"	45.978436
"1125831"	186.026718	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2Na"	45.978436
"1409354"	124.353570666667	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H+2Na"	46.985712
"1442564"	373.087746	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H+HCOOH"	47.012746
"228979"	354.09724	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+3H2O+2H"	56.04448
"1520321"	387.13979	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+IsoProp+H"	61.06479
"418917"	357.051188	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+Na+K"	61.952376
"784649"	520.088688	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+Na+K"	61.952376
"1675150"	194.013688	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Na+K"	61.952376
"261671"	716.165768	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+ACN+Na"	64.015768
"1239484"	390.090768	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+ACN+Na"	64.015768
"1726183"	390.114293	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+NH4+HCOOH"	64.039293
"1192634"	131.680884666667	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+3Na"	68.967654
"1662889"	395.069688	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Na+HCOOH"	68.994688
"169752"	729.06904	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+2K-H"	76.91904
"606032"	1055.14404	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+2K-H"	76.91904
"1095288"	402.99404	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2K-H"	76.91904
"150643"	365.038158	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"2M+2K"	77.926316
"590205"	528.075658	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"3M+2K"	77.926316
"1076903"	202.000658	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2K"	77.926316
"1110110"	405.008592	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2K+H"	78.933592
"1342120"	405.096207	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+DMSO+H"	79.021207
"1010648"	409.135376	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2ACN+H"	83.060376
"1533147"	410.129008	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+IsoProp+Na+H"	84.054008
"997409"	205.071326	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+2ACN+2H"	84.067652
"1595192"	411.043628	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+K+HCOOH"	84.968628
"1425225"	441.075138	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+H+CF3COOH"	115.000138
"1156607"	225.584601	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+3ACN+2H"	125.094202
"1701784"	458.101685	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+NH4+CF3COOH"	132.026685
"1635249"	463.05708	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+Na+CF3COOH"	136.98208
"1579649"	479.03102	"C08555"	"Miraxanthin-II"	"C13H14N2O8"	"326.075"	"M+K+CF3COOH"	152.95602
"810017"	330.1216	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M"	0
"986101"	311.10321	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-H2O-H"	-19.01839
"66326"	219.073790666667	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M-3H"	-3.021828
"503698"	329.114324	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M-3H"	-3.021828
"881500"	109.033257333333	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-3H"	-3.021828
"4447"	329.114324	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M-2H"	-2.014552
"442185"	494.175124	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M-2H"	-2.014552
"822904"	164.053524	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-2H"	-2.014552
"88363"	659.235924	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M-H"	-1.007276
"524642"	989.357524	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M-H"	-1.007276
"908281"	329.114324	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-H"	-1.007276
"53545"	676.262471	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M-2H+NH4"	16.019271
"487880"	1006.384071	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M-2H+NH4"	16.019271
"865799"	346.140871	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-2H+NH4"	16.019271
"36621"	681.217866	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M-2H+Na"	20.974666
"477274"	1011.339466	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M-2H+Na"	20.974666
"858358"	351.096266	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-2H+Na"	20.974666
"1628987"	351.096266	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Na-2H"	20.974666
"104424"	347.102663	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M-H+Cl"	33.962126
"534626"	512.163463	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M-H+Cl"	33.962126
"928751"	182.041863	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-H+Cl"	33.962126
"270591"	695.212602	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+Cl"	34.969402
"660581"	1025.334202	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+Cl"	34.969402
"1273270"	365.091002	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Cl"	34.969402
"20162"	697.191806	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M-2H+K"	36.948606
"461910"	1027.313406	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M-2H+K"	36.948606
"837523"	367.070206	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-2H+K"	36.948606
"1561012"	367.070206	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+K-2H"	36.948606
"948895"	375.119794	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-H+HCOOH"	44.998194
"368204"	705.241401	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+HCOOH-H"	44.998201
"350993"	719.257051	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+Hac-H"	59.013851
"1499825"	389.135451	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Hac-H"	59.013851
"960438"	397.101751	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-H+NaCOOH"	66.980151
"112990"	365.091002	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+2Cl"	69.938804
"555106"	530.151802	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+2Cl"	69.938804
"1022930"	200.030202	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2Cl"	69.938804
"1246401"	409.040485	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Br"	78.918885
"1305200"	411.096472	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Cl+HCOOH"	80.974872
"1321607"	433.078429	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Cl+NaCOOH"	102.956829
"921790"	443.107186	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M-H+CF3COOH"	112.985586
"1299590"	479.083864	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Cl+CF3COOH"	148.962264
"1379571"	295.108924	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H-2H2O"	-35.012676
"1387590"	313.1189	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H-H2O"	-17.0027
"288370"	661.250476	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+H"	1.007276
"678967"	991.372076	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+H"	1.007276
"1352765"	331.128876	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H"	1.007276
"128940"	331.128876	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+2H"	2.014552
"573970"	496.189676	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+2H"	2.014552
"1046052"	166.068076	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2H"	2.014552
"210669"	221.088342666667	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+3H"	3.021828
"652420"	331.128876	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+3H"	3.021828
"1174921"	111.047809333333	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+3H"	3.021828
"430535"	678.277023	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+NH4"	18.033823
"800977"	1008.398623	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+NH4"	18.033823
"1693332"	348.155423	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+NH4"	18.033823
"338326"	339.6421495	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+H+NH4"	19.041099
"728560"	504.7029495	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+H+NH4"	19.041099
"1482380"	174.5813495	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H+NH4"	19.041099
"407883"	683.232418	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+Na"	22.989218
"768261"	1013.354018	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+Na"	22.989218
"1618028"	353.110818	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Na"	22.989218
"328461"	342.119847	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+H+Na"	23.996494
"722427"	507.180647	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+H+Na"	23.996494
"1474101"	177.059047	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H+Na"	23.996494
"1067710"	118.375123333333	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2H+Na"	25.00377
"1270113"	363.155086	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+CH3OH+H"	33.033486
"390998"	699.206358	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+K"	38.963158
"742037"	1029.327958	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+K"	38.963158
"1552476"	369.084758	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+K"	38.963158
"310014"	350.106817	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+H+K"	39.970434
"701344"	515.167617	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+H+K"	39.970434
"1457350"	185.046017	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H+K"	39.970434
"241579"	702.277026	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+ACN+H"	42.033826
"1216472"	372.155426	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+ACN+H"	42.033826
"1201451"	186.581351	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+ACN+2H"	43.041102
"190312"	705.21436	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+2Na-H"	44.97116
"629992"	1035.33596	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+2Na-H"	44.97116
"1140303"	375.09276	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2Na-H"	44.97116
"173993"	353.110818	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+2Na"	45.978436
"619152"	518.171618	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+2Na"	45.978436
"1125941"	188.050018	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2Na"	45.978436
"1409464"	125.702437333333	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H+2Na"	46.985712
"1442674"	377.134346	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H+HCOOH"	47.012746
"229089"	358.14384	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+3H2O+2H"	56.04448
"1520431"	391.18639	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+IsoProp+H"	61.06479
"423885"	361.097788	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+Na+K"	61.952376
"784882"	526.158588	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+Na+K"	61.952376
"1675259"	196.036988	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Na+K"	61.952376
"262874"	724.258968	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+ACN+Na"	64.015768
"1235583"	394.137368	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+ACN+Na"	64.015768
"1726657"	394.160893	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+NH4+HCOOH"	64.039293
"1191650"	133.029751333333	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+3Na"	68.967654
"1661905"	399.116288	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Na+HCOOH"	68.994688
"169134"	737.16224	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+2K-H"	76.91904
"606142"	1067.28384	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+2K-H"	76.91904
"1093939"	407.04064	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2K-H"	76.91904
"149659"	369.084758	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"2M+2K"	77.926316
"590313"	534.145558	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"3M+2K"	77.926316
"1075919"	204.023958	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2K"	77.926316
"1104753"	409.055192	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2K+H"	78.933592
"1341137"	409.142807	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+DMSO+H"	79.021207
"1010758"	413.181976	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2ACN+H"	83.060376
"1535442"	414.175608	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+IsoProp+Na+H"	84.054008
"999704"	207.094626	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+2ACN+2H"	84.067652
"1595301"	415.090228	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+K+HCOOH"	84.968628
"1423148"	445.121738	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+H+CF3COOH"	115.000138
"1156717"	227.607901	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+3ACN+2H"	125.094202
"1701894"	462.148285	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+NH4+CF3COOH"	132.026685
"1636816"	467.10368	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+Na+CF3COOH"	136.98208
"1579759"	483.07762	"C08556"	"Miraxanthin-III"	"C17H18N2O5"	"330.1216"	"M+K+CF3COOH"	152.95602
"813407"	346.1165	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M"	0
"986939"	327.09811	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-H2O-H"	-19.01839
"67529"	229.737057333333	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M-3H"	-3.021828
"504901"	345.109224	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M-3H"	-3.021828
"882702"	114.364890666667	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-3H"	-3.021828
"3463"	345.109224	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M-2H"	-2.014552
"440836"	518.167474	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M-2H"	-2.014552
"818030"	172.050974	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-2H"	-2.014552
"83005"	691.225724	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M-H"	-1.007276
"524752"	1037.342224	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M-H"	-1.007276
"904741"	345.109224	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-H"	-1.007276
"55842"	708.252271	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M-2H+NH4"	16.019271
"487990"	1054.368771	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M-2H+NH4"	16.019271
"866638"	362.135771	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-2H+NH4"	16.019271
"36731"	713.207666	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M-2H+Na"	20.974666
"475197"	1059.324166	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M-2H+Na"	20.974666
"855188"	367.091166	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-2H+Na"	20.974666
"1629096"	367.091166	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Na-2H"	20.974666
"105626"	363.097563	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M-H+Cl"	33.962126
"537533"	536.155813	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M-H+Cl"	33.962126
"934327"	190.039313	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-H+Cl"	33.962126
"271792"	727.202402	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+Cl"	34.969402
"661664"	1073.318902	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+Cl"	34.969402
"1273705"	381.085902	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Cl"	34.969402
"18085"	729.181606	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M-2H+K"	36.948606
"462020"	1075.298106	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M-2H+K"	36.948606
"837633"	383.065106	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-2H+K"	36.948606
"1561122"	383.065106	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+K-2H"	36.948606
"951192"	391.114694	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-H+HCOOH"	44.998194
"369408"	737.231201	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+HCOOH-H"	44.998201
"351831"	751.246851	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+Hac-H"	59.013851
"1501029"	405.130351	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Hac-H"	59.013851
"961638"	413.096651	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-H+NaCOOH"	66.980151
"113828"	381.085902	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+2Cl"	69.938804
"553028"	554.144152	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+2Cl"	69.938804
"1023283"	208.027652	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2Cl"	69.938804
"1246875"	425.035385	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Br"	78.918885
"1306403"	427.091372	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Cl+HCOOH"	80.974872
"1322811"	449.073329	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Cl+NaCOOH"	102.956829
"921901"	459.102086	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M-H+CF3COOH"	112.985586
"1301886"	495.078764	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Cl+CF3COOH"	148.962264
"1378953"	311.103824	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H-2H2O"	-35.012676
"1389887"	329.1138	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H-H2O"	-17.0027
"291760"	693.240276	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+H"	1.007276
"676889"	1039.356776	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+H"	1.007276
"1355063"	347.123776	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H"	1.007276
"127348"	347.123776	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+2H"	2.014552
"571893"	520.182026	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+2H"	2.014552
"1045066"	174.065526	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2H"	2.014552
"204344"	231.751609333333	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+3H"	3.021828
"655809"	347.123776	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+3H"	3.021828
"1172841"	116.379442666667	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+3H"	3.021828
"432832"	710.266823	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+NH4"	18.033823
"796019"	1056.383323	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+NH4"	18.033823
"1693438"	364.150323	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+NH4"	18.033823
"338436"	355.6370495	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+H+NH4"	19.041099
"728670"	528.6952995	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+H+NH4"	19.041099
"1479210"	182.5787995	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H+NH4"	19.041099
"407875"	715.222218	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+Na"	22.989218
"768251"	1061.338718	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+Na"	22.989218
"1617695"	369.105718	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Na"	22.989218
"328939"	358.114747	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+H+Na"	23.996494
"721852"	531.172997	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+H+Na"	23.996494
"1476037"	185.056497	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H+Na"	23.996494
"1067338"	123.706756666667	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2H+Na"	25.00377
"1270953"	379.149986	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+CH3OH+H"	33.033486
"390985"	731.196158	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+K"	38.963158
"741054"	1077.312658	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+K"	38.963158
"1551858"	385.079658	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+K"	38.963158
"311218"	366.101717	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+H+K"	39.970434
"701454"	539.159967	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+H+K"	39.970434
"1458554"	193.043467	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H+K"	39.970434
"241689"	734.266826	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+ACN+H"	42.033826
"1220229"	388.150326	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+ACN+H"	42.033826
"1194636"	194.578801	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+ACN+2H"	43.041102
"191516"	737.20416	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+2Na-H"	44.97116
"631076"	1083.32066	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+2Na-H"	44.97116
"1143330"	391.08766	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2Na-H"	44.97116
"175318"	369.105718	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+2Na"	45.978436
"618169"	542.163968	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+2Na"	45.978436
"1126051"	196.047468	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2Na"	45.978436
"1409574"	131.034070666667	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H+2Na"	46.985712
"1442663"	393.129246	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H+HCOOH"	47.012746
"228106"	374.13874	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+3H2O+2H"	56.04448
"1517261"	407.18129	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+IsoProp+H"	61.06479
"421320"	377.092688	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+Na+K"	61.952376
"780131"	550.150938	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+Na+K"	61.952376
"1672454"	204.034438	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Na+K"	61.952376
"257880"	756.248768	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+ACN+Na"	64.015768
"1234599"	410.132268	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+ACN+Na"	64.015768
"1722393"	410.155793	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+NH4+HCOOH"	64.039293
"1187749"	138.361384666667	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+3Na"	68.967654
"1658736"	415.111188	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Na+HCOOH"	68.994688
"165599"	769.15204	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+2K-H"	76.91904
"603334"	1115.26854	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+2K-H"	76.91904
"1092949"	423.03554	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2K-H"	76.91904
"150863"	385.079658	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"2M+2K"	77.926316
"589330"	558.137908	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"3M+2K"	77.926316
"1074939"	212.021408	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2K"	77.926316
"1104866"	425.050092	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2K+H"	78.933592
"1341247"	425.137707	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+DMSO+H"	79.021207
"1009775"	429.176876	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2ACN+H"	83.060376
"1534459"	430.170508	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+IsoProp+Na+H"	84.054008
"998720"	215.092076	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+2ACN+2H"	84.067652
"1596504"	431.085128	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+K+HCOOH"	84.968628
"1424351"	461.116638	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+H+CF3COOH"	115.000138
"1156827"	235.605351	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+3ACN+2H"	125.094202
"1702004"	478.143185	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+NH4+CF3COOH"	132.026685
"1636562"	483.09858	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+Na+CF3COOH"	136.98208
"1579869"	499.07252	"C08557"	"Miraxanthin-V"	"C17H18N2O6"	"346.1165"	"M+K+CF3COOH"	152.95602
"814611"	388.1733	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M"	0
"988872"	369.15491	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-H2O-H"	-19.01839
"66546"	257.774924	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M-3H"	-3.021828
"505011"	387.166024	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M-3H"	-3.021828
"882813"	128.383824	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-3H"	-3.021828
"3574"	387.166024	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M-2H"	-2.014552
"442405"	581.252674	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M-2H"	-2.014552
"818016"	193.079374	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-2H"	-2.014552
"80928"	775.339324	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M-H"	-1.007276
"525956"	1163.512624	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M-H"	-1.007276
"901572"	387.166024	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-H"	-1.007276
"50484"	792.365871	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M-2H+NH4"	16.019271
"489434"	1180.539171	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M-2H+NH4"	16.019271
"868940"	404.192571	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-2H+NH4"	16.019271
"36841"	797.321266	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M-2H+Na"	20.974666
"474213"	1185.494566	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M-2H+Na"	20.974666
"860766"	409.147966	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-2H+Na"	20.974666
"1629208"	409.147966	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Na-2H"	20.974666
"106830"	405.154363	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M-H+Cl"	33.962126
"543110"	599.241013	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M-H+Cl"	33.962126
"934437"	211.067713	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-H+Cl"	33.962126
"277369"	811.316002	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+Cl"	34.969402
"668697"	1199.489302	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+Cl"	34.969402
"1280014"	423.142702	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Cl"	34.969402
"23300"	813.295206	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M-2H+K"	36.948606
"469421"	1201.468506	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M-2H+K"	36.948606
"837744"	425.121906	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-2H+K"	36.948606
"1563420"	425.121906	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+K-2H"	36.948606
"954948"	433.171494	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-H+HCOOH"	44.998194
"372435"	821.344801	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+HCOOH-H"	44.998201
"357046"	835.360451	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+Hac-H"	59.013851
"1499316"	447.187151	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Hac-H"	59.013851
"960656"	455.153451	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-H+NaCOOH"	66.980151
"111751"	423.142702	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+2Cl"	69.938804
"552774"	617.229352	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+2Cl"	69.938804
"1022176"	229.056052	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2Cl"	69.938804
"1246985"	467.092185	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Br"	78.918885
"1306513"	469.148172	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Cl+HCOOH"	80.974872
"1323650"	491.130129	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Cl+NaCOOH"	102.956829
"913248"	501.158886	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M-H+CF3COOH"	112.985586
"1297618"	537.135564	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Cl+CF3COOH"	148.962264
"1381978"	353.160624	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H-2H2O"	-35.012676
"1391090"	371.1706	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H-H2O"	-17.0027
"291870"	777.353876	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+H"	1.007276
"676999"	1165.527176	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+H"	1.007276
"1355901"	389.180576	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H"	1.007276
"127337"	389.180576	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+2H"	2.014552
"574190"	583.267226	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+2H"	2.014552
"1046269"	195.093926	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2H"	2.014552
"204809"	259.789476	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+3H"	3.021828
"655919"	389.180576	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+3H"	3.021828
"1173680"	130.398376	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+3H"	3.021828
"430755"	794.380423	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+NH4"	18.033823
"788470"	1182.553723	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+NH4"	18.033823
"1691362"	406.207123	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+NH4"	18.033823
"337453"	397.6938495	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+H+NH4"	19.041099
"727687"	591.7804995	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+H+NH4"	19.041099
"1478347"	203.6071995	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H+NH4"	19.041099
"407976"	799.335818	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+Na"	22.989218
"769781"	1187.509118	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+Na"	22.989218
"1616944"	411.162518	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Na"	22.989218
"328684"	400.171547	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+H+Na"	23.996494
"720857"	594.258197	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+H+Na"	23.996494
"1476143"	206.084897	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H+Na"	23.996494
"1068256"	137.72569	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2H+Na"	25.00377
"1268148"	421.206786	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+CH3OH+H"	33.033486
"390728"	815.309758	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+K"	38.963158
"751373"	1203.483058	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+K"	38.963158
"1553670"	427.136458	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+K"	38.963158
"313513"	408.158517	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+H+K"	39.970434
"706299"	602.245167	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+H+K"	39.970434
"1458660"	214.071867	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H+K"	39.970434
"246173"	818.380426	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+ACN+H"	42.033826
"1222528"	430.207126	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+ACN+H"	42.033826
"1201671"	215.607201	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+ACN+2H"	43.041102
"195636"	821.31776	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+2Na-H"	44.97116
"633373"	1209.49106	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+2Na-H"	44.97116
"1143075"	433.14446	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2Na-H"	44.97116
"175430"	411.162518	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+2Na"	45.978436
"617547"	605.249168	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+2Na"	45.978436
"1126161"	217.075868	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2Na"	45.978436
"1408591"	145.053004	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H+2Na"	46.985712
"1440708"	435.186046	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H+HCOOH"	47.012746
"230404"	416.19554	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+3H2O+2H"	56.04448
"1521746"	449.23809	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+IsoProp+H"	61.06479
"421431"	419.149488	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+Na+K"	61.952376
"782425"	613.236138	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+Na+K"	61.952376
"1675482"	225.062838	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Na+K"	61.952376
"259816"	840.362368	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+ACN+Na"	64.015768
"1235804"	452.189068	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+ACN+Na"	64.015768
"1725786"	452.212593	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+NH4+HCOOH"	64.039293
"1188951"	152.380318	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+3Na"	68.967654
"1657753"	457.167988	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Na+HCOOH"	68.994688
"165709"	853.26564	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+2K-H"	76.91904
"604174"	1241.43894	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+2K-H"	76.91904
"1091967"	465.09234	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2K-H"	76.91904
"152069"	427.136458	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"2M+2K"	77.926316
"590536"	621.223108	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"3M+2K"	77.926316
"1075048"	233.049808	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2K"	77.926316
"1107162"	467.106892	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2K+H"	78.933592
"1338078"	467.194507	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+DMSO+H"	79.021207
"1006727"	471.233676	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2ACN+H"	83.060376
"1534571"	472.227308	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+IsoProp+Na+H"	84.054008
"998832"	236.120476	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+2ACN+2H"	84.067652
"1595523"	473.141928	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+K+HCOOH"	84.968628
"1423368"	503.173438	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+H+CF3COOH"	115.000138
"1156937"	256.633751	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+3ACN+2H"	125.094202
"1702114"	520.199985	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+NH4+CF3COOH"	132.026685
"1642139"	525.15538	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+Na+CF3COOH"	136.98208
"1579979"	541.12932	"C08558"	"Tuberonic acid glucoside"	"C18H28O9"	"388.1733"	"M+K+CF3COOH"	152.95602
"813627"	351.0703	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M"	0
"987161"	332.05191	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-H2O-H"	-19.01839
"73214"	233.039590666667	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M-3H"	-3.021828
"503661"	350.063024	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M-3H"	-3.021828
"884015"	116.016157333333	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-3H"	-3.021828
"3318"	350.063024	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M-2H"	-2.014552
"443243"	525.598174	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M-2H"	-2.014552
"818248"	174.527874	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-2H"	-2.014552
"80309"	701.133324	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M-H"	-1.007276
"522786"	1052.203624	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M-H"	-1.007276
"901682"	350.063024	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-H"	-1.007276
"48768"	718.159871	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M-2H+NH4"	16.019271
"489783"	1069.230171	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M-2H+NH4"	16.019271
"869048"	367.089571	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-2H+NH4"	16.019271
"34394"	723.115266	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M-2H+Na"	20.974666
"473954"	1074.185566	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M-2H+Na"	20.974666
"850664"	372.044966	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-2H+Na"	20.974666
"1626037"	372.044966	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Na-2H"	20.974666
"100379"	368.051363	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M-H+Cl"	33.962126
"543220"	543.586513	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M-H+Cl"	33.962126
"929444"	192.516213	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-H+Cl"	33.962126
"269093"	737.110002	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+Cl"	34.969402
"664432"	1088.180302	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+Cl"	34.969402
"1281217"	386.039702	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Cl"	34.969402
"21587"	739.089206	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M-2H+K"	36.948606
"462240"	1090.159506	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M-2H+K"	36.948606
"837489"	388.018906	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-2H+K"	36.948606
"1563530"	388.018906	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+K-2H"	36.948606
"953965"	396.068494	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-H+HCOOH"	44.998194
"371817"	747.138801	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+HCOOH-H"	44.998201
"356063"	761.154451	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+Hac-H"	59.013851
"1499426"	410.084151	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Hac-H"	59.013851
"962221"	418.050451	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-H+NaCOOH"	66.980151
"113316"	386.039702	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+2Cl"	69.938804
"553976"	561.574852	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+2Cl"	69.938804
"1022407"	210.504552	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2Cl"	69.938804
"1246731"	429.989185	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Br"	78.918885
"1307717"	432.045172	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Cl+HCOOH"	80.974872
"1320960"	454.027129	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Cl+NaCOOH"	102.956829
"913361"	464.055886	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M-H+CF3COOH"	112.985586
"1290794"	500.032564	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Cl+CF3COOH"	148.962264
"1372608"	316.057624	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H-2H2O"	-35.012676
"1391200"	334.0676	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H-H2O"	-17.0027
"286875"	703.147876	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+H"	1.007276
"676740"	1054.218176	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+H"	1.007276
"1352727"	352.077576	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H"	1.007276
"127447"	352.077576	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+2H"	2.014552
"575393"	527.612726	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+2H"	2.014552
"1037220"	176.542426	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2H"	2.014552
"205039"	235.054142666667	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+3H"	3.021828
"644257"	352.077576	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+3H"	3.021828
"1164312"	118.030709333333	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+3H"	3.021828
"429772"	720.174423	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+NH4"	18.033823
"786393"	1071.244723	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+NH4"	18.033823
"1682233"	369.104123	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+NH4"	18.033823
"338656"	360.5908495	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+H+NH4"	19.041099
"727797"	536.1259995	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+H+NH4"	19.041099
"1478335"	185.0556995	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H+NH4"	19.041099
"408288"	725.129818	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+Na"	22.989218
"768832"	1076.200118	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+Na"	22.989218
"1614867"	374.059518	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Na"	22.989218
"327089"	363.068547	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+H+Na"	23.996494
"718414"	538.603697	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+H+Na"	23.996494
"1475523"	187.533397	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H+Na"	23.996494
"1064395"	125.358023333333	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2H+Na"	25.00377
"1267164"	384.103786	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+CH3OH+H"	33.033486
"387922"	741.103758	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+K"	38.963158
"750392"	1092.174058	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+K"	38.963158
"1552079"	390.033458	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+K"	38.963158
"313623"	371.055517	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+H+K"	39.970434
"704586"	546.590667	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+H+K"	39.970434
"1459134"	195.520367	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H+K"	39.970434
"248105"	744.174426	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+ACN+H"	42.033826
"1224095"	393.104126	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+ACN+H"	42.033826
"1205062"	197.055701	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+ACN+2H"	43.041102
"199026"	747.11176	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+2Na-H"	44.97116
"634212"	1098.18206	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+2Na-H"	44.97116
"1144278"	396.04146	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2Na-H"	44.97116
"176998"	374.059518	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+2Na"	45.978436
"616925"	549.594668	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+2Na"	45.978436
"1127364"	198.524368	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2Na"	45.978436
"1404326"	132.685337333333	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H+2Na"	46.985712
"1441911"	398.083046	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H+HCOOH"	47.012746
"228326"	379.09254	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+3H2O+2H"	56.04448
"1516388"	412.13509	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+IsoProp+H"	61.06479
"419355"	382.046488	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+Na+K"	61.952376
"783264"	557.581638	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+Na+K"	61.952376
"1678870"	206.511338	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Na+K"	61.952376
"262112"	766.156368	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+ACN+Na"	64.015768
"1237738"	415.086068	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+ACN+Na"	64.015768
"1725530"	415.109593	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+NH4+HCOOH"	64.039293
"1190520"	140.012651333333	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+3Na"	68.967654
"1658957"	420.064988	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Na+HCOOH"	68.994688
"166913"	779.05964	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+2K-H"	76.91904
"605378"	1130.12994	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+2K-H"	76.91904
"1093170"	427.98934	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2K-H"	76.91904
"152179"	390.033458	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"2M+2K"	77.926316
"589186"	565.568608	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"3M+2K"	77.926316
"1075158"	214.498308	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2K"	77.926316
"1105086"	430.003892	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2K+H"	78.933592
"1335682"	430.091507	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+DMSO+H"	79.021207
"1007809"	434.130676	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2ACN+H"	83.060376
"1532494"	435.124308	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+IsoProp+Na+H"	84.054008
"995662"	217.568976	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+2ACN+2H"	84.067652
"1596726"	436.038928	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+K+HCOOH"	84.968628
"1424572"	466.070438	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+H+CF3COOH"	115.000138
"1153767"	238.082251	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+3ACN+2H"	125.094202
"1701131"	483.096985	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+NH4+CF3COOH"	132.026685
"1636782"	488.05238	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+Na+CF3COOH"	136.98208
"1580089"	504.02632	"C08559"	"Musca-aurin-I;Muscaaurin I"	"C14H13N3O8"	"351.0703"	"M+K+CF3COOH"	152.95602
"815924"	420.0805	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M"	0
"989337"	401.06211	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-H2O-H"	-19.01839
"73325"	279.046390666667	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M-3H"	-3.021828
"505958"	419.073224	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M-3H"	-3.021828
"883396"	139.019557333333	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-3H"	-3.021828
"5251"	419.073224	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M-2H"	-2.014552
"442624"	629.113474	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M-2H"	-2.014552
"817193"	209.032974	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-2H"	-2.014552
"81513"	839.153724	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M-H"	-1.007276
"525083"	1259.234224	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M-H"	-1.007276
"905072"	419.073224	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-H"	-1.007276
"51063"	856.180271	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M-2H+NH4"	16.019271
"488071"	1276.260771	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M-2H+NH4"	16.019271
"866604"	436.099771	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-2H+NH4"	16.019271
"34871"	861.135666	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M-2H+Na"	20.974666
"474794"	1281.216166	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M-2H+Na"	20.974666
"851140"	441.055166	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-2H+Na"	20.974666
"1626147"	441.055166	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Na-2H"	20.974666
"101583"	437.061563	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M-H+Cl"	33.962126
"542237"	647.101813	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M-H+Cl"	33.962126
"928825"	227.021313	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-H+Cl"	33.962126
"268475"	875.130402	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+Cl"	34.969402
"662355"	1295.210902	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+Cl"	34.969402
"1278047"	455.049902	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Cl"	34.969402
"22790"	877.109606	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M-2H+K"	36.948606
"463443"	1297.190106	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M-2H+K"	36.948606
"834316"	457.029106	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-2H+K"	36.948606
"1557804"	457.029106	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+K-2H"	36.948606
"945323"	465.078694	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-H+HCOOH"	44.998194
"370831"	885.159201	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+HCOOH-H"	44.998201
"355808"	899.174851	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+Hac-H"	59.013851
"1499536"	479.094351	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Hac-H"	59.013851
"961240"	487.060651	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-H+NaCOOH"	66.980151
"113426"	455.049902	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+2Cl"	69.938804
"552628"	665.090152	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+2Cl"	69.938804
"1022519"	245.009652	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2Cl"	69.938804
"1246112"	498.999385	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Br"	78.918885
"1304911"	501.055372	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Cl+HCOOH"	80.974872
"1320705"	523.037329	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Cl+NaCOOH"	102.956829
"911436"	533.066086	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M-H+CF3COOH"	112.985586
"1290174"	569.042764	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Cl+CF3COOH"	148.962264
"1372354"	385.067824	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H-2H2O"	-35.012676
"1386203"	403.0778	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H-H2O"	-17.0027
"286985"	841.168276	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+H"	1.007276
"676486"	1261.248776	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+H"	1.007276
"1353930"	421.087776	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H"	1.007276
"128286"	421.087776	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+2H"	2.014552
"576596"	631.128026	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+2H"	2.014552
"1037616"	211.047526	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2H"	2.014552
"204500"	281.060942666667	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+3H"	3.021828
"645444"	421.087776	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+3H"	3.021828
"1164422"	141.034109333333	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+3H"	3.021828
"430975"	858.194823	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+NH4"	18.033823
"786624"	1278.275323	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+NH4"	18.033823
"1681737"	438.114323	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+NH4"	18.033823
"338766"	429.6010495	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+H+NH4"	19.041099
"727907"	639.6412995	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+H+NH4"	19.041099
"1479540"	219.5607995	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H+NH4"	19.041099
"407709"	863.150218	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+Na"	22.989218
"769672"	1283.230718	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+Na"	22.989218
"1618181"	443.069718	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Na"	22.989218
"328292"	432.078747	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+H+Na"	23.996494
"717431"	642.118997	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+H+Na"	23.996494
"1473444"	222.038497	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H+Na"	23.996494
"1066688"	148.361423333333	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2H+Na"	25.00377
"1270552"	453.113986	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+CH3OH+H"	33.033486
"388031"	879.124158	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+K"	38.963158
"751597"	1299.204658	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+K"	38.963158
"1552554"	459.043658	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+K"	38.963158
"313369"	440.065717	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+H+K"	39.970434
"703603"	650.105967	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+H+K"	39.970434
"1458518"	230.025467	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H+K"	39.970434
"247484"	882.194826	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+ACN+H"	42.033826
"1223476"	462.114326	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+ACN+H"	42.033826
"1205172"	231.560801	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+ACN+2H"	43.041102
"199136"	885.13216	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+2Na-H"	44.97116
"633229"	1305.21266	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+2Na-H"	44.97116
"1144023"	465.05166	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2Na-H"	44.97116
"177837"	443.069718	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+2Na"	45.978436
"615942"	653.109968	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+2Na"	45.978436
"1126381"	233.029468	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2Na"	45.978436
"1401520"	155.688737333333	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H+2Na"	46.985712
"1442021"	467.093246	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H+HCOOH"	47.012746
"225156"	448.10274	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+3H2O+2H"	56.04448
"1511394"	481.14529	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+IsoProp+H"	61.06479
"417277"	451.056688	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+Na+K"	61.952376
"781187"	661.096938	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+Na+K"	61.952376
"1678980"	241.016438	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Na+K"	61.952376
"261129"	904.176768	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+ACN+Na"	64.015768
"1234932"	484.096268	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+ACN+Na"	64.015768
"1723818"	484.119793	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+NH4+HCOOH"	64.039293
"1185891"	163.016051333333	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+3Na"	68.967654
"1660160"	489.075188	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Na+HCOOH"	68.994688
"166657"	917.08004	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+2K-H"	76.91904
"604394"	1337.16054	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+2K-H"	76.91904
"1093279"	496.99954	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2K-H"	76.91904
"152287"	459.043658	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"2M+2K"	77.926316
"590755"	669.083908	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"3M+2K"	77.926316
"1075267"	249.003408	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2K"	77.926316
"1106288"	499.014092	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2K+H"	78.933592
"1336103"	499.101707	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+DMSO+H"	79.021207
"1007919"	503.140876	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2ACN+H"	83.060376
"1529323"	504.134508	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+IsoProp+Na+H"	84.054008
"997958"	252.074076	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+2ACN+2H"	84.067652
"1599022"	505.049128	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+K+HCOOH"	84.968628
"1425775"	535.080638	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+H+CF3COOH"	115.000138
"1153877"	272.587351	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+3ACN+2H"	125.094202
"1701241"	552.107185	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+NH4+CF3COOH"	132.026685
"1636892"	557.06258	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+Na+CF3COOH"	136.98208
"1576919"	573.03652	"C08560"	"Musca-aurin-II;Muscaaurin II"	"C18H16N2O10"	"420.0805"	"M+K+CF3COOH"	152.95602
"810567"	278.1002	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M"	0
"987380"	259.08181	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-H2O-H"	-19.01839
"75622"	184.392857333333	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M-3H"	-3.021828
"504611"	277.092924	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M-3H"	-3.021828
"882778"	91.6927906666667	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-3H"	-3.021828
"6091"	277.092924	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M-2H"	-2.014552
"441641"	416.143024	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M-2H"	-2.014552
"817089"	138.042824	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-2H"	-2.014552
"81623"	555.193124	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M-H"	-1.007276
"525193"	833.293324	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M-H"	-1.007276
"901902"	277.092924	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-H"	-1.007276
"47765"	572.219671	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M-2H+NH4"	16.019271
"490006"	850.319871	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M-2H+NH4"	16.019271
"865255"	294.119471	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-2H+NH4"	16.019271
"32064"	577.175066	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M-2H+Na"	20.974666
"473082"	855.275266	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M-2H+Na"	20.974666
"848776"	299.074866	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-2H+Na"	20.974666
"1628444"	299.074866	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Na-2H"	20.974666
"101693"	295.081263	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M-H+Cl"	33.962126
"541254"	434.131363	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M-H+Cl"	33.962126
"928935"	156.031163	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-H+Cl"	33.962126
"267529"	591.169802	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+Cl"	34.969402
"662099"	869.270002	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+Cl"	34.969402
"1278157"	313.069602	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Cl"	34.969402
"20714"	593.149006	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M-2H+K"	36.948606
"462460"	871.249206	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M-2H+K"	36.948606
"833332"	315.048806	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-2H+K"	36.948606
"1555669"	315.048806	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+K-2H"	36.948606
"942946"	323.098394	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-H+HCOOH"	44.998194
"368755"	601.198601	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+HCOOH-H"	44.998201
"352639"	615.214251	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+Hac-H"	59.013851
"1494540"	337.114051	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Hac-H"	59.013851
"959893"	345.080351	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-H+NaCOOH"	66.980151
"111350"	313.069602	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+2Cl"	69.938804
"552009"	452.119702	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+2Cl"	69.938804
"1022994"	174.019502	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2Cl"	69.938804
"1246586"	357.019085	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Br"	78.918885
"1305021"	359.075072	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Cl+HCOOH"	80.974872
"1320329"	381.057029	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Cl+NaCOOH"	102.956829
"912846"	391.085786	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M-H+CF3COOH"	112.985586
"1289312"	427.062464	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Cl+CF3COOH"	148.962264
"1371736"	243.087524	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H-2H2O"	-35.012676
"1385585"	261.0975	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H-H2O"	-17.0027
"285639"	557.207676	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+H"	1.007276
"676597"	835.307876	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+H"	1.007276
"1352947"	279.107476	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H"	1.007276
"128396"	279.107476	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+2H"	2.014552
"574519"	418.157576	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+2H"	2.014552
"1038335"	140.057376	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2H"	2.014552
"205502"	186.407409333333	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+3H"	3.021828
"645312"	279.107476	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+3H"	3.021828
"1164532"	93.7073426666667	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+3H"	3.021828
"431085"	574.234223	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+NH4"	18.033823
"786613"	852.334423	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+NH4"	18.033823
"1681643"	296.134023	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+NH4"	18.033823
"338876"	287.6207495	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+H+NH4"	19.041099
"728017"	426.6708495	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+H+NH4"	19.041099
"1479650"	148.5706495	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H+NH4"	19.041099
"406726"	579.189618	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+Na"	22.989218
"769661"	857.289818	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+Na"	22.989218
"1618249"	301.089418	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Na"	22.989218
"327309"	290.098447	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+H+Na"	23.996494
"715354"	429.148547	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+H+Na"	23.996494
"1472461"	151.048347	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H+Na"	23.996494
"1064610"	101.034656666667	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2H+Na"	25.00377
"1268473"	311.133686	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+CH3OH+H"	33.033486
"383767"	595.163558	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+K"	38.963158
"751340"	873.263758	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+K"	38.963158
"1551935"	317.063358	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+K"	38.963158
"312386"	298.085417	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+H+K"	39.970434
"704806"	437.135517	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+H+K"	39.970434
"1457897"	159.035317	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H+K"	39.970434
"248321"	598.234226	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+ACN+H"	42.033826
"1223585"	320.134026	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+ACN+H"	42.033826
"1202002"	160.570651	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+ACN+2H"	43.041102
"198152"	601.17156	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+2Na-H"	44.97116
"631880"	879.27176	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+2Na-H"	44.97116
"1143405"	323.07136	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2Na-H"	44.97116
"180498"	301.089418	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+2Na"	45.978436
"616416"	440.139518	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+2Na"	45.978436
"1126491"	162.039318	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2Na"	45.978436
"1402723"	108.361970666667	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H+2Na"	46.985712
"1439944"	325.112946	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H+HCOOH"	47.012746
"225266"	306.12244	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+3H2O+2H"	56.04448
"1510775"	339.16499	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+IsoProp+H"	61.06479
"415200"	309.076388	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+Na+K"	61.952376
"780204"	448.126488	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+Na+K"	61.952376
"1679090"	170.026288	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Na+K"	61.952376
"265248"	620.216168	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+ACN+Na"	64.015768
"1236135"	342.115968	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+ACN+Na"	64.015768
"1723927"	342.139493	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+NH4+HCOOH"	64.039293
"1190374"	115.689284666667	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+3Na"	68.967654
"1662457"	347.094888	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Na+HCOOH"	68.994688
"168590"	633.11944	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+2K-H"	76.91904
"604503"	911.21964	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+2K-H"	76.91904
"1094482"	355.01924	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2K-H"	76.91904
"152397"	317.063358	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"2M+2K"	77.926316
"590501"	456.113458	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"3M+2K"	77.926316
"1075377"	178.013258	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2K"	77.926316
"1105305"	357.033792	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2K+H"	78.933592
"1336581"	357.121407	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+DMSO+H"	79.021207
"1009122"	361.160576	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2ACN+H"	83.060376
"1527246"	362.154208	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+IsoProp+Na+H"	84.054008
"998068"	181.083926	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+2ACN+2H"	84.067652
"1593665"	363.068828	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+K+HCOOH"	84.968628
"1420418"	393.100338	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+H+CF3COOH"	115.000138
"1153987"	201.597201	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+3ACN+2H"	125.094202
"1699164"	410.126885	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+NH4+CF3COOH"	132.026685
"1635909"	415.08228	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+Na+CF3COOH"	136.98208
"1577029"	431.05622	"C08561"	"Tuliposide A"	"C11H18O8"	"278.1002"	"M+K+CF3COOH"	152.95602
"810677"	348.107	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M"	0
"987490"	329.08861	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-H2O-H"	-19.01839
"74639"	231.064057333333	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M-3H"	-3.021828
"505084"	347.099724	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M-3H"	-3.021828
"881795"	115.028390666667	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-3H"	-3.021828
"6565"	347.099724	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M-2H"	-2.014552
"441387"	521.153224	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M-2H"	-2.014552
"817237"	173.046224	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-2H"	-2.014552
"78589"	695.206724	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M-H"	-1.007276
"524210"	1043.313724	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M-H"	-1.007276
"902012"	347.099724	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-H"	-1.007276
"48001"	712.233271	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M-2H+NH4"	16.019271
"487561"	1060.340271	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M-2H+NH4"	16.019271
"864634"	364.126271	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-2H+NH4"	16.019271
"31810"	717.188666	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M-2H+Na"	20.974666
"475744"	1065.295666	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M-2H+Na"	20.974666
"850265"	369.081666	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-2H+Na"	20.974666
"1618523"	369.081666	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Na-2H"	20.974666
"100708"	365.088063	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M-H+Cl"	33.962126
"539177"	539.141563	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M-H+Cl"	33.962126
"929774"	191.034563	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-H+Cl"	33.962126
"267163"	731.183402	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+Cl"	34.969402
"660425"	1079.290402	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+Cl"	34.969402
"1273150"	383.076402	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Cl"	34.969402
"16068"	733.162606	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M-2H+K"	36.948606
"455883"	1081.269606	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M-2H+K"	36.948606
"832987"	385.055606	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-2H+K"	36.948606
"1555747"	385.055606	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+K-2H"	36.948606
"943719"	393.105194	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-H+HCOOH"	44.998194
"366312"	741.212201	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+HCOOH-H"	44.998201
"349466"	755.227851	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+Hac-H"	59.013851
"1495013"	407.120851	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Hac-H"	59.013851
"959395"	415.087151	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-H+NaCOOH"	66.980151
"110729"	383.076402	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+2Cl"	69.938804
"551390"	557.129902	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+2Cl"	69.938804
"1022170"	209.022902	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2Cl"	69.938804
"1245965"	427.025885	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Br"	78.918885
"1304273"	429.081872	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Cl+HCOOH"	80.974872
"1320108"	451.063829	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Cl+NaCOOH"	102.956829
"911489"	461.092586	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M-H+CF3COOH"	112.985586
"1290761"	497.069264	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Cl+CF3COOH"	148.962264
"1368191"	313.094324	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H-2H2O"	-35.012676
"1384716"	331.1043	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H-H2O"	-17.0027
"283551"	697.221276	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+H"	1.007276
"676708"	1045.328276	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+H"	1.007276
"1352694"	349.114276	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H"	1.007276
"128506"	349.114276	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+2H"	2.014552
"574629"	523.167776	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+2H"	2.014552
"1037352"	175.060776	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2H"	2.014552
"206950"	233.078609333333	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+3H"	3.021828
"645422"	349.114276	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+3H"	3.021828
"1163301"	117.042942666667	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+3H"	3.021828
"429008"	714.247823	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+NH4"	18.033823
"786844"	1062.354823	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+NH4"	18.033823
"1681593"	366.140823	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+NH4"	18.033823
"330601"	357.6275495	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+H+NH4"	19.041099
"723994"	531.6810495	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+H+NH4"	19.041099
"1480853"	183.5740495	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H+NH4"	19.041099
"406108"	719.203218	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+Na"	22.989218
"768797"	1067.310218	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+Na"	22.989218
"1615196"	371.096218	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Na"	22.989218
"326326"	360.105247	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+H+Na"	23.996494
"714371"	534.158747	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+H+Na"	23.996494
"1472570"	186.051747	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H+Na"	23.996494
"1062533"	124.370256666667	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2H+Na"	25.00377
"1263115"	381.140486	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+CH3OH+H"	33.033486
"380598"	735.177158	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+K"	38.963158
"745980"	1083.284158	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+K"	38.963158
"1550223"	387.070158	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+K"	38.963158
"311403"	368.092217	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+H+K"	39.970434
"703822"	542.145717	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+H+K"	39.970434
"1455819"	194.038717	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H+K"	39.970434
"247338"	738.247826	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+ACN+H"	42.033826
"1219319"	390.140826	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+ACN+H"	42.033826
"1201018"	195.574051	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+ACN+2H"	43.041102
"191702"	741.18516	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+2Na-H"	44.97116
"628948"	1089.29216	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+2Na-H"	44.97116
"1136954"	393.07816	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2Na-H"	44.97116
"173179"	371.096218	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+2Na"	45.978436
"615068"	545.149718	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+2Na"	45.978436
"1126601"	197.042718	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2Na"	45.978436
"1403926"	131.697570666667	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H+2Na"	46.985712
"1441147"	395.119746	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H+HCOOH"	47.012746
"225376"	376.12924	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+3H2O+2H"	56.04448
"1511250"	409.17179	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+IsoProp+H"	61.06479
"416403"	379.083188	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+Na+K"	61.952376
"777399"	553.136688	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+Na+K"	61.952376
"1675921"	205.029688	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Na+K"	61.952376
"262079"	760.229768	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+ACN+Na"	64.015768
"1232965"	412.122768	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+ACN+Na"	64.015768
"1721851"	412.146293	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+NH4+HCOOH"	64.039293
"1187205"	139.024884666667	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+3Na"	68.967654
"1661110"	417.101688	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Na+HCOOH"	68.994688
"166148"	773.13304	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+2K-H"	76.91904
"603520"	1121.24004	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+2K-H"	76.91904
"1089125"	425.02604	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2K-H"	76.91904
"150321"	387.070158	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"2M+2K"	77.926316
"589882"	561.123658	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"3M+2K"	77.926316
"1076580"	213.016658	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2K"	77.926316
"1105415"	427.040592	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2K+H"	78.933592
"1335838"	427.128207	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+DMSO+H"	79.021207
"1007046"	431.167376	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2ACN+H"	83.060376
"1527356"	432.161008	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+IsoProp+Na+H"	84.054008
"997085"	216.087326	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+2ACN+2H"	84.067652
"1592682"	433.075628	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+K+HCOOH"	84.968628
"1420528"	463.107138	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+H+CF3COOH"	115.000138
"1154097"	236.600601	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+3ACN+2H"	125.094202
"1699274"	480.133685	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+NH4+CF3COOH"	132.026685
"1637112"	485.08908	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+Na+CF3COOH"	136.98208
"1577139"	501.06302	"C08562"	"Musca-aurin-VII;Muscaaurin VII"	"C15H16N4O6"	"348.107"	"M+K+CF3COOH"	152.95602
"816254"	418.0648	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M"	0
"988694"	399.04641	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-H2O-H"	-19.01839
"76935"	277.702590666667	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M-3H"	-3.021828
"504831"	417.057524	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M-3H"	-3.021828
"882269"	138.347657333333	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-3H"	-3.021828
"6311"	417.057524	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M-2H"	-2.014552
"441861"	626.089924	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M-2H"	-2.014552
"817960"	208.025124	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-2H"	-2.014552
"79654"	835.122324	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M-H"	-1.007276
"524320"	1253.187124	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M-H"	-1.007276
"902122"	417.057524	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-H"	-1.007276
"48841"	852.148871	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M-2H+NH4"	16.019271
"487911"	1270.213671	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M-2H+NH4"	16.019271
"868393"	434.084071	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-2H+NH4"	16.019271
"32283"	857.104266	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M-2H+Na"	20.974666
"474761"	1275.169066	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M-2H+Na"	20.974666
"851468"	439.039466	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-2H+Na"	20.974666
"1619179"	439.039466	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Na-2H"	20.974666
"100818"	435.045863	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M-H+Cl"	33.962126
"538193"	644.078263	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M-H+Cl"	33.962126
"928790"	226.013463	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-H+Cl"	33.962126
"267583"	871.099002	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+Cl"	34.969402
"660738"	1289.163802	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+Cl"	34.969402
"1274721"	453.034202	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Cl"	34.969402
"16785"	873.078206	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M-2H+K"	36.948606
"456224"	1291.143006	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M-2H+K"	36.948606
"833099"	455.013406	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-2H+K"	36.948606
"1556715"	455.013406	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+K-2H"	36.948606
"945651"	463.062994	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-H+HCOOH"	44.998194
"364232"	881.127801	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+HCOOH-H"	44.998201
"345841"	895.143451	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+Hac-H"	59.013851
"1494758"	477.078651	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Hac-H"	59.013851
"958665"	485.044951	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-H+NaCOOH"	66.980151
"110354"	453.034202	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+2Cl"	69.938804
"551498"	662.066602	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+2Cl"	69.938804
"1021752"	244.001802	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2Cl"	69.938804
"1241573"	496.983685	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Br"	78.918885
"1306334"	499.039672	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Cl+HCOOH"	80.974872
"1319906"	521.021629	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Cl+NaCOOH"	102.956829
"911363"	531.050386	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M-H+CF3COOH"	112.985586
"1291236"	567.027064	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Cl+CF3COOH"	148.962264
"1368180"	383.052124	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H-2H2O"	-35.012676
"1382778"	401.0621	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H-H2O"	-17.0027
"283252"	837.136876	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+H"	1.007276
"676450"	1255.201676	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+H"	1.007276
"1353897"	419.072076	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H"	1.007276
"130802"	419.072076	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+2H"	2.014552
"570365"	628.104476	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+2H"	2.014552
"1039524"	210.039676	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2H"	2.014552
"206331"	279.717142666667	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+3H"	3.021828
"650997"	419.072076	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+3H"	3.021828
"1162993"	140.362209333333	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+3H"	3.021828
"424405"	854.163423	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+NH4"	18.033823
"790109"	1272.228223	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+NH4"	18.033823
"1684616"	436.098623	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+NH4"	18.033823
"335810"	427.5853495	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+H+NH4"	19.041099
"728234"	636.6177495	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+H+NH4"	19.041099
"1479867"	218.5529495	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H+NH4"	19.041099
"406209"	859.118818	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+Na"	22.989218
"767203"	1277.183618	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+Na"	22.989218
"1617128"	441.054018	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Na"	22.989218
"325340"	430.063047	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+H+Na"	23.996494
"718854"	639.095447	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+H+Na"	23.996494
"1474865"	221.030647	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H+Na"	23.996494
"1063735"	147.689523333333	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2H+Na"	25.00377
"1263225"	451.098286	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+CH3OH+H"	33.033486
"381797"	875.092758	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+K"	38.963158
"747184"	1293.157558	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+K"	38.963158
"1551418"	457.027958	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+K"	38.963158
"308593"	438.050017	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+H+K"	39.970434
"702108"	647.082417	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+H+K"	39.970434
"1452646"	229.017617	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H+K"	39.970434
"243437"	878.163426	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+ACN+H"	42.033826
"1218333"	460.098626	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+ACN+H"	42.033826
"1200035"	230.552951	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+ACN+2H"	43.041102
"191082"	881.10076	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+2Na-H"	44.97116
"631370"	1299.16556	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+2Na-H"	44.97116
"1141439"	463.03596	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2Na-H"	44.97116
"174519"	441.054018	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+2Na"	45.978436
"614809"	650.086418	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+2Na"	45.978436
"1116493"	232.021618	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2Na"	45.978436
"1399165"	155.016837333333	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H+2Na"	46.985712
"1436881"	465.077546	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H+HCOOH"	47.012746
"225483"	446.08704	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+3H2O+2H"	56.04448
"1515732"	479.12959	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+IsoProp+H"	61.06479
"419791"	449.040988	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+Na+K"	61.952376
"776412"	658.073388	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+Na+K"	61.952376
"1670560"	240.008588	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Na+K"	61.952376
"259270"	900.145368	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+ACN+Na"	64.015768
"1234895"	482.080568	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+ACN+Na"	64.015768
"1719772"	482.104093	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+NH4+HCOOH"	64.039293
"1183670"	162.344151333333	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+3Na"	68.967654
"1655387"	487.059488	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Na+HCOOH"	68.994688
"159698"	913.04864	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+2K-H"	76.91904
"600713"	1331.11344	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+2K-H"	76.91904
"1087047"	494.98384	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2K-H"	76.91904
"147879"	457.027958	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"2M+2K"	77.926316
"584523"	666.060358	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"3M+2K"	77.926316
"1069398"	247.995558	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2K"	77.926316
"1101636"	496.998392	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2K+H"	78.933592
"1336061"	497.086007	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+DMSO+H"	79.021207
"1006547"	501.125176	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2ACN+H"	83.060376
"1524380"	502.118808	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+IsoProp+Na+H"	84.054008
"995007"	251.066226	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+2ACN+2H"	84.067652
"1588053"	503.033428	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+K+HCOOH"	84.968628
"1418451"	533.064938	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+H+CF3COOH"	115.000138
"1157486"	271.579501	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+3ACN+2H"	125.094202
"1699383"	550.091485	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+NH4+CF3COOH"	132.026685
"1637221"	555.04688	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+Na+CF3COOH"	136.98208
"1577249"	571.02082	"C08563"	"Muscapurpurin"	"C18H14N2O10"	"418.0648"	"M+K+CF3COOH"	152.95602
"816829"	324.0958	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M"	0
"989869"	305.07741	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-H2O-H"	-19.01839
"77045"	215.056590666667	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M-3H"	-3.021828
"514419"	323.088524	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M-3H"	-3.021828
"890033"	107.024657333333	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-3H"	-3.021828
"10795"	323.088524	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M-2H"	-2.014552
"451449"	485.136424	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M-2H"	-2.014552
"819410"	161.040624	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-2H"	-2.014552
"83776"	647.184324	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M-H"	-1.007276
"524430"	971.280124	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M-H"	-1.007276
"902232"	323.088524	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-H"	-1.007276
"48100"	664.210871	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M-2H+NH4"	16.019271
"487539"	988.306671	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M-2H+NH4"	16.019271
"867410"	340.115071	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-2H+NH4"	16.019271
"32151"	669.166266	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M-2H+Na"	20.974666
"474871"	993.262066	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M-2H+Na"	20.974666
"852672"	345.070466	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-2H+Na"	20.974666
"1619046"	345.070466	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Na-2H"	20.974666
"98735"	341.076863	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M-H+Cl"	33.962126
"538297"	503.124763	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M-H+Cl"	33.962126
"931812"	179.028963	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-H+Cl"	33.962126
"271467"	683.161002	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+Cl"	34.969402
"660479"	1007.256802	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+Cl"	34.969402
"1273980"	359.065202	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Cl"	34.969402
"16409"	685.140206	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M-2H+K"	36.948606
"456211"	1009.236006	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M-2H+K"	36.948606
"837668"	361.044406	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-2H+K"	36.948606
"1558609"	361.044406	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+K-2H"	36.948606
"946854"	369.093994	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-H+HCOOH"	44.998194
"365435"	693.189801	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+HCOOH-H"	44.998201
"350775"	707.205451	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+Hac-H"	59.013851
"1493895"	383.109651	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Hac-H"	59.013851
"958555"	391.075951	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-H+NaCOOH"	66.980151
"110464"	359.065202	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+2Cl"	69.938804
"551608"	521.113102	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+2Cl"	69.938804
"1021660"	197.017302	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2Cl"	69.938804
"1242537"	403.014685	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Br"	78.918885
"1306445"	405.070672	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Cl+HCOOH"	80.974872
"1320041"	427.052629	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Cl+NaCOOH"	102.956829
"911522"	437.081386	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M-H+CF3COOH"	112.985586
"1289523"	473.058064	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Cl+CF3COOH"	148.962264
"1367480"	289.083124	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H-2H2O"	-35.012676
"1383355"	307.0931	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H-H2O"	-17.0027
"284503"	649.198876	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+H"	1.007276
"676928"	973.294676	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+H"	1.007276
"1353279"	325.103076	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H"	1.007276
"137474"	325.103076	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+2H"	2.014552
"570475"	487.150976	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+2H"	2.014552
"1042551"	163.055176	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2H"	2.014552
"206077"	217.071142666667	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+3H"	3.021828
"651107"	325.103076	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+3H"	3.021828
"1165950"	109.039209333333	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+3H"	3.021828
"428129"	666.225423	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+NH4"	18.033823
"788029"	990.321223	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+NH4"	18.033823
"1684360"	342.129623	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+NH4"	18.033823
"335921"	333.6163495	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+H+NH4"	19.041099
"728344"	495.6642495	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+H+NH4"	19.041099
"1479248"	171.5684495	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H+NH4"	19.041099
"408459"	671.180818	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+Na"	22.989218
"769830"	995.276618	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+Na"	22.989218
"1617238"	347.085018	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Na"	22.989218
"329943"	336.094047	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+H+Na"	23.996494
"717870"	498.141947	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+H+Na"	23.996494
"1474612"	174.046147	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H+Na"	23.996494
"1061658"	116.366523333333	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2H+Na"	25.00377
"1261512"	357.129286	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+CH3OH+H"	33.033486
"385187"	687.154758	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+K"	38.963158
"750574"	1011.250558	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+K"	38.963158
"1551530"	363.058958	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+K"	38.963158
"313078"	344.081017	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+H+K"	39.970434
"706591"	506.128917	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+H+K"	39.970434
"1458224"	182.033117	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H+K"	39.970434
"250109"	690.225426	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+ACN+H"	42.033826
"1222818"	366.129626	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+ACN+H"	42.033826
"1204520"	183.568451	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+ACN+2H"	43.041102
"198484"	693.16276	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+2Na-H"	44.97116
"642298"	1017.25856	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+2Na-H"	44.97116
"1144831"	369.06696	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2Na-H"	44.97116
"181558"	347.085018	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+2Na"	45.978436
"622213"	509.132918	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+2Na"	45.978436
"1116845"	185.037118	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2Na"	45.978436
"1399275"	123.693837333333	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H+2Na"	46.985712
"1433338"	371.108546	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H+HCOOH"	47.012746
"224864"	352.11804	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+3H2O+2H"	56.04448
"1513290"	385.16059	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+IsoProp+H"	61.06479
"414434"	355.071988	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+Na+K"	61.952376
"777615"	517.119888	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+Na+K"	61.952376
"1673951"	193.024088	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Na+K"	61.952376
"259381"	712.207368	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+ACN+Na"	64.015768
"1235006"	388.111568	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+ACN+Na"	64.015768
"1718426"	388.135093	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+NH4+HCOOH"	64.039293
"1184145"	131.021151333333	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+3Na"	68.967654
"1651849"	393.090488	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Na+HCOOH"	68.994688
"160900"	725.11064	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+2K-H"	76.91904
"598633"	1049.20644	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+2K-H"	76.91904
"1085206"	401.01484	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2K-H"	76.91904
"147988"	363.058958	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"2M+2K"	77.926316
"586819"	525.106858	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"3M+2K"	77.926316
"1069508"	201.011058	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2K"	77.926316
"1102476"	403.029392	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2K+H"	78.933592
"1335774"	403.117007	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+DMSO+H"	79.021207
"1006041"	407.156176	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2ACN+H"	83.060376
"1524196"	408.149808	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+IsoProp+Na+H"	84.054008
"990255"	204.081726	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+2ACN+2H"	84.067652
"1588527"	409.064428	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+K+HCOOH"	84.968628
"1418561"	439.095938	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+H+CF3COOH"	115.000138
"1155409"	224.595001	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+3ACN+2H"	125.094202
"1697668"	456.122485	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+NH4+CF3COOH"	132.026685
"1637331"	461.07788	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+Na+CF3COOH"	136.98208
"1577359"	477.05182	"C08564"	"Portulacaxanthin I"	"C14H16N2O7"	"324.0958"	"M+K+CF3COOH"	152.95602
"815381"	374.1114	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M"	0
"985633"	355.09301	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-H2O-H"	-19.01839
"77968"	248.400324	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M-3H"	-3.021828
"517445"	373.104124	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M-3H"	-3.021828
"889050"	123.696524	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-3H"	-3.021828
"6531"	373.104124	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M-2H"	-2.014552
"444998"	560.159824	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M-2H"	-2.014552
"818061"	186.048424	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-2H"	-2.014552
"80606"	747.215524	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M-H"	-1.007276
"523447"	1121.326924	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M-H"	-1.007276
"901249"	373.104124	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-H"	-1.007276
"48332"	764.242071	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M-2H+NH4"	16.019271
"487326"	1138.353471	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M-2H+NH4"	16.019271
"867520"	390.130671	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-2H+NH4"	16.019271
"31529"	769.197466	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M-2H+Na"	20.974666
"473036"	1143.308866	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M-2H+Na"	20.974666
"852782"	395.086066	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-2H+Na"	20.974666
"1619035"	395.086066	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Na-2H"	20.974666
"94590"	391.092463	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M-H+Cl"	33.962126
"538407"	578.148163	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M-H+Cl"	33.962126
"930100"	204.036763	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-H+Cl"	33.962126
"270848"	783.192202	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+Cl"	34.969402
"660342"	1157.303602	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+Cl"	34.969402
"1273603"	409.080802	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Cl"	34.969402
"16155"	785.171406	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M-2H+K"	36.948606
"456278"	1159.282806	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M-2H+K"	36.948606
"837778"	411.060006	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-2H+K"	36.948606
"1560910"	411.060006	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+K-2H"	36.948606
"944781"	419.109594	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-H+HCOOH"	44.998194
"365913"	793.221001	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+HCOOH-H"	44.998201
"348699"	807.236651	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+Hac-H"	59.013851
"1494977"	433.125251	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Hac-H"	59.013851
"959598"	441.091551	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-H+NaCOOH"	66.980151
"110453"	409.080802	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+2Cl"	69.938804
"550747"	596.136502	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+2Cl"	69.938804
"1021608"	222.025102	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2Cl"	69.938804
"1242040"	453.030285	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Br"	78.918885
"1305219"	455.086272	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Cl+HCOOH"	80.974872
"1321497"	477.068229	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Cl+NaCOOH"	102.956829
"911622"	487.096986	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M-H+CF3COOH"	112.985586
"1289269"	523.073664	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Cl+CF3COOH"	148.962264
"1368523"	339.098724	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H-2H2O"	-35.012676
"1382815"	357.1087	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H-H2O"	-17.0027
"283885"	749.230076	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+H"	1.007276
"675853"	1123.341476	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+H"	1.007276
"1352295"	375.118676	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H"	1.007276
"131024"	375.118676	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+2H"	2.014552
"569490"	562.174376	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+2H"	2.014552
"1038287"	188.062976	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2H"	2.014552
"204283"	250.414876	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+3H"	3.021828
"647936"	375.118676	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+3H"	3.021828
"1164966"	125.711076	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+3H"	3.021828
"427145"	766.256623	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+NH4"	18.033823
"786194"	1140.368023	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+NH4"	18.033823
"1681548"	392.145223	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+NH4"	18.033823
"334938"	383.6319495	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+H+NH4"	19.041099
"727361"	570.6876495	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+H+NH4"	19.041099
"1478994"	196.5762495	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H+NH4"	19.041099
"405334"	771.212018	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+Na"	22.989218
"769817"	1145.323418	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+Na"	22.989218
"1616983"	397.100618	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Na"	22.989218
"328476"	386.109647	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+H+Na"	23.996494
"715793"	573.165347	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+H+Na"	23.996494
"1470711"	199.053947	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H+Na"	23.996494
"1060675"	133.03839	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2H+Na"	25.00377
"1260529"	407.144886	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+CH3OH+H"	33.033486
"383110"	787.185958	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+K"	38.963158
"752143"	1161.297358	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+K"	38.963158
"1551640"	413.074558	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+K"	38.963158
"313188"	394.096617	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+H+K"	39.970434
"703421"	581.152317	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+H+K"	39.970434
"1457241"	207.040917	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H+K"	39.970434
"248761"	790.256626	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+ACN+H"	42.033826
"1220741"	416.145226	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+ACN+H"	42.033826
"1204630"	208.576251	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+ACN+2H"	43.041102
"200782"	793.19396	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+2Na-H"	44.97116
"642529"	1167.30536	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+2Na-H"	44.97116
"1144941"	419.08256	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2Na-H"	44.97116
"180574"	397.100618	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+2Na"	45.978436
"621230"	584.156318	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+2Na"	45.978436
"1116467"	210.044918	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2Na"	45.978436
"1398531"	140.365704	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H+2Na"	46.985712
"1434176"	421.124146	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H+HCOOH"	47.012746
"224244"	402.13364	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+3H2O+2H"	56.04448
"1511212"	435.17619	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+IsoProp+H"	61.06479
"413815"	405.087588	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+Na+K"	61.952376
"776632"	592.143288	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+Na+K"	61.952376
"1675154"	218.031888	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Na+K"	61.952376
"264229"	812.238568	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+ACN+Na"	64.015768
"1237665"	438.127168	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+ACN+Na"	64.015768
"1722180"	438.150693	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+NH4+HCOOH"	64.039293
"1186440"	147.693018	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+3Na"	68.967654
"1650496"	443.106088	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Na+HCOOH"	68.994688
"158822"	825.14184	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+2K-H"	76.91904
"598010"	1199.25324	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+2K-H"	76.91904
"1085559"	451.03044	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2K-H"	76.91904
"142302"	413.074558	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"2M+2K"	77.926316
"582183"	600.130258	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"3M+2K"	77.926316
"1070217"	226.018858	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2K"	77.926316
"1100633"	453.044992	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2K+H"	78.933592
"1336289"	453.132607	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+DMSO+H"	79.021207
"1006027"	457.171776	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2ACN+H"	83.060376
"1524173"	458.165408	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+IsoProp+Na+H"	84.054008
"991217"	229.089526	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+2ACN+2H"	84.067652
"1588273"	459.080028	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+K+HCOOH"	84.968628
"1418671"	489.111538	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+H+CF3COOH"	115.000138
"1153332"	249.602801	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+3ACN+2H"	125.094202
"1698142"	506.138085	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+NH4+CF3COOH"	132.026685
"1636348"	511.09348	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+Na+CF3COOH"	136.98208
"1577469"	527.06742	"C08565"	"Portulacaxanthin II"	"C18H18N2O7"	"374.1114"	"M+K+CF3COOH"	152.95602
"811117"	268.0695	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M"	0
"981369"	249.05111	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-H2O-H"	-19.01839
"75078"	177.705724	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M-3H"	-3.021828
"513545"	267.062224	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M-3H"	-3.021828
"891346"	88.349224	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-3H"	-3.021828
"9921"	267.062224	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M-2H"	-2.014552
"449482"	401.096974	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M-2H"	-2.014552
"821816"	133.027474	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-2H"	-2.014552
"80716"	535.131724	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M-H"	-1.007276
"523557"	803.201224	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M-H"	-1.007276
"901359"	267.062224	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-H"	-1.007276
"48078"	552.158271	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M-2H+NH4"	16.019271
"487883"	820.227771	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M-2H+NH4"	16.019271
"867630"	284.088771	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-2H+NH4"	16.019271
"31721"	557.113666	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M-2H+Na"	20.974666
"475091"	825.183166	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M-2H+Na"	20.974666
"852892"	289.044166	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-2H+Na"	20.974666
"1621332"	289.044166	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Na-2H"	20.974666
"94822"	285.050563	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M-H+Cl"	33.962126
"538518"	419.085313	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M-H+Cl"	33.962126
"932034"	151.015813	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-H+Cl"	33.962126
"270588"	571.108402	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+Cl"	34.969402
"666292"	839.177902	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+Cl"	34.969402
"1272911"	303.038902	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Cl"	34.969402
"16104"	573.087606	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M-2H+K"	36.948606
"455728"	841.157106	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M-2H+K"	36.948606
"836431"	305.018106	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-2H+K"	36.948606
"1561384"	305.018106	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+K-2H"	36.948606
"946714"	313.067694	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-H+HCOOH"	44.998194
"366023"	581.137201	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+HCOOH-H"	44.998201
"346987"	595.152851	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+Hac-H"	59.013851
"1493751"	327.083351	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Hac-H"	59.013851
"959344"	335.049651	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-H+NaCOOH"	66.980151
"112260"	303.038902	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+2Cl"	69.938804
"552922"	437.073652	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+2Cl"	69.938804
"1021635"	169.004152	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2Cl"	69.938804
"1243487"	346.988385	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Br"	78.918885
"1307395"	349.044372	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Cl+HCOOH"	80.974872
"1319919"	371.026329	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Cl+NaCOOH"	102.956829
"912303"	381.055086	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M-H+CF3COOH"	112.985586
"1288482"	417.031764	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Cl+CF3COOH"	148.962264
"1368998"	233.056824	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H-2H2O"	-35.012676
"1384308"	251.0668	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H-H2O"	-17.0027
"284724"	537.146276	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+H"	1.007276
"675743"	805.215776	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+H"	1.007276
"1351795"	269.076776	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H"	1.007276
"131134"	269.076776	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+2H"	2.014552
"569600"	403.111526	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+2H"	2.014552
"1038761"	135.042026	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2H"	2.014552
"204627"	179.720276	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+3H"	3.021828
"649139"	269.076776	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+3H"	3.021828
"1167263"	90.363776	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+3H"	3.021828
"427255"	554.172823	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+NH4"	18.033823
"786224"	822.242323	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+NH4"	18.033823
"1683488"	286.103323	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+NH4"	18.033823
"336141"	277.5900495	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+H+NH4"	19.041099
"727473"	411.6247995	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+H+NH4"	19.041099
"1483478"	143.5552995	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H+NH4"	19.041099
"408003"	559.128218	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+Na"	22.989218
"769603"	827.197718	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+Na"	22.989218
"1616363"	291.058718	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Na"	22.989218
"324577"	280.067747	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+H+Na"	23.996494
"714810"	414.102497	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+H+Na"	23.996494
"1470821"	146.032997	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H+Na"	23.996494
"1060786"	97.69109	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2H+Na"	25.00377
"1261368"	301.102986	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+CH3OH+H"	33.033486
"386499"	575.102158	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+K"	38.963158
"749701"	843.171658	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+K"	38.963158
"1551751"	307.032658	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+K"	38.963158
"310017"	288.054717	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+H+K"	39.970434
"702438"	422.089467	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+H+K"	39.970434
"1452977"	154.019967	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H+K"	39.970434
"248141"	578.172826	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+ACN+H"	42.033826
"1217570"	310.103326	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+ACN+H"	42.033826
"1199994"	155.555301	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+ACN+2H"	43.041102
"201985"	581.11016	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+2Na-H"	44.97116
"642638"	849.17966	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+2Na-H"	44.97116
"1142865"	313.04066	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2Na-H"	44.97116
"181777"	291.058718	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+2Na"	45.978436
"623524"	425.093468	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+2Na"	45.978436
"1118282"	157.023968	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2Na"	45.978436
"1398722"	105.018404	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H+2Na"	46.985712
"1432099"	315.082246	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H+HCOOH"	47.012746
"224354"	296.09174	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+3H2O+2H"	56.04448
"1510593"	329.13429	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+IsoProp+H"	61.06479
"412102"	299.045688	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+Na+K"	61.952376
"773826"	433.080438	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+Na+K"	61.952376
"1675264"	165.010938	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Na+K"	61.952376
"263610"	600.154768	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+ACN+Na"	64.015768
"1238140"	332.085268	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+ACN+Na"	64.015768
"1721196"	332.108793	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+NH4+HCOOH"	64.039293
"1186550"	112.345718	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+3Na"	68.967654
"1649998"	337.064188	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Na+HCOOH"	68.994688
"157594"	613.05804	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+2K-H"	76.91904
"597635"	881.12754	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+2K-H"	76.91904
"1084941"	344.98854	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2K-H"	76.91904
"143223"	307.032658	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"2M+2K"	77.926316
"583755"	441.067408	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"3M+2K"	77.926316
"1071546"	172.997908	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2K"	77.926316
"1100746"	347.003092	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2K+H"	78.933592
"1336888"	347.090707	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+DMSO+H"	79.021207
"1006145"	351.129876	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2ACN+H"	83.060376
"1524284"	352.123508	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+IsoProp+Na+H"	84.054008
"990838"	176.068576	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+2ACN+2H"	84.067652
"1590935"	353.038128	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+K+HCOOH"	84.968628
"1422061"	383.069638	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+H+CF3COOH"	115.000138
"1150162"	196.581851	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+3ACN+2H"	125.094202
"1697523"	400.096185	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+NH4+CF3COOH"	132.026685
"1635365"	405.05158	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+Na+CF3COOH"	136.98208
"1577579"	421.02552	"C08566"	"Portulacaxanthin III"	"C11H12N2O6"	"268.0695"	"M+K+CF3COOH"	152.95602
"811227"	630.1003	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M"	0
"983666"	611.08191	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-H2O-H"	-19.01839
"76281"	419.059590666667	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M-3H"	-3.021828
"510375"	629.093024	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M-3H"	-3.021828
"891456"	209.026157333333	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-3H"	-3.021828
"7844"	629.093024	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M-2H"	-2.014552
"450685"	944.143174	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M-2H"	-2.014552
"820832"	314.042874	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-2H"	-2.014552
"80826"	1259.193324	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M-H"	-1.007276
"522574"	1889.293624	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M-H"	-1.007276
"901469"	629.093024	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-H"	-1.007276
"51468"	1276.219871	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M-2H+NH4"	16.019271
"493219"	1906.320171	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M-2H+NH4"	16.019271
"868833"	646.119571	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-2H+NH4"	16.019271
"32723"	1281.175266	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M-2H+Na"	20.974666
"477388"	1911.275566	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M-2H+Na"	20.974666
"857376"	651.074966	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-2H+Na"	20.974666
"1626909"	651.074966	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Na-2H"	20.974666
"97971"	647.081363	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M-H+Cl"	33.962126
"544094"	962.131513	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M-H+Cl"	33.962126
"934331"	332.031213	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-H+Cl"	33.962126
"277259"	1295.170002	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+Cl"	34.969402
"662393"	1925.270302	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+Cl"	34.969402
"1282815"	665.069702	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Cl"	34.969402
"18445"	1297.149206	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M-2H+K"	36.948606
"458371"	1927.249506	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M-2H+K"	36.948606
"836170"	667.048906	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-2H+K"	36.948606
"1561126"	667.048906	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+K-2H"	36.948606
"952291"	675.098494	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-H+HCOOH"	44.998194
"373423"	1305.198801	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+HCOOH-H"	44.998201
"351108"	1319.214451	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+Hac-H"	59.013851
"1497386"	689.114151	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Hac-H"	59.013851
"959823"	697.080451	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-H+NaCOOH"	66.980151
"112736"	665.069702	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+2Cl"	69.938804
"555950"	980.119852	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+2Cl"	69.938804
"1025475"	350.019552	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2Cl"	69.938804
"1246150"	709.019185	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Br"	78.918885
"1308233"	711.075172	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Cl+HCOOH"	80.974872
"1322082"	733.057129	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Cl+NaCOOH"	102.956829
"912413"	743.085886	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M-H+CF3COOH"	112.985586
"1289848"	779.062564	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Cl+CF3COOH"	148.962264
"1370931"	595.087624	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H-2H2O"	-35.012676
"1385877"	613.0976	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H-H2O"	-17.0027
"289573"	1261.207876	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+H"	1.007276
"677624"	1891.308176	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+H"	1.007276
"1355067"	631.107576	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H"	1.007276
"129056"	631.107576	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+2H"	2.014552
"567523"	946.157726	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+2H"	2.014552
"1039965"	316.057426	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2H"	2.014552
"205189"	421.074142666667	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+3H"	3.021828
"648156"	631.107576	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+3H"	3.021828
"1169561"	211.040709333333	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+3H"	3.021828
"425300"	1278.234423	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+NH4"	18.033823
"788360"	1908.334723	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+NH4"	18.033823
"1683598"	648.134123	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+NH4"	18.033823
"335158"	639.6208495	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+H+NH4"	19.041099
"727583"	954.6709995	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+H+NH4"	19.041099
"1482495"	324.5706995	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H+NH4"	19.041099
"395707"	1283.189818	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+Na"	22.989218
"769350"	1913.290118	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+Na"	22.989218
"1614650"	653.089518	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Na"	22.989218
"324687"	642.098547	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+H+Na"	23.996494
"718199"	957.148697	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+H+Na"	23.996494
"1470931"	327.048397	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H+Na"	23.996494
"1060896"	218.368023333333	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2H+Na"	25.00377
"1262571"	663.133786	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+CH3OH+H"	33.033486
"384422"	1299.163758	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+K"	38.963158
"750537"	1929.264058	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+K"	38.963158
"1553682"	669.063458	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+K"	38.963158
"310127"	650.085517	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+H+K"	39.970434
"703642"	965.135667	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+H+K"	39.970434
"1451993"	335.035367	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H+K"	39.970434
"244968"	1302.234426	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+ACN+H"	42.033826
"1217680"	672.134126	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+ACN+H"	42.033826
"1200833"	336.570701	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+ACN+2H"	43.041102
"203677"	1305.17176	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+2Na-H"	44.97116
"639468"	1935.27206	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+2Na-H"	44.97116
"1142975"	675.07146	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2Na-H"	44.97116
"179700"	653.089518	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+2Na"	45.978436
"623634"	968.139668	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+2Na"	45.978436
"1117662"	338.039368	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2Na"	45.978436
"1400092"	225.695337333333	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H+2Na"	46.985712
"1431114"	677.113046	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H+HCOOH"	47.012746
"224455"	658.12254	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+3H2O+2H"	56.04448
"1510334"	691.16509	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+IsoProp+H"	61.06479
"410389"	661.076488	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+Na+K"	61.952376
"772112"	976.126638	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+Na+K"	61.952376
"1671729"	346.026338	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Na+K"	61.952376
"261896"	1324.216368	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+ACN+Na"	64.015768
"1234604"	694.116068	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+ACN+Na"	64.015768
"1718025"	694.139593	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+NH4+HCOOH"	64.039293
"1183013"	233.022651333333	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+3Na"	68.967654
"1650023"	699.094988	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Na+HCOOH"	68.994688
"157335"	1337.11964	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+2K-H"	76.91904
"597415"	1967.21994	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+2K-H"	76.91904
"1084243"	707.01934	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2K-H"	76.91904
"143212"	669.063458	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"2M+2K"	77.926316
"581712"	984.113608	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"3M+2K"	77.926316
"1070562"	354.013308	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2K"	77.926316
"1100034"	709.033892	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2K+H"	78.933592
"1335783"	709.121507	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+DMSO+H"	79.021207
"1005918"	713.160676	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2ACN+H"	83.060376
"1524210"	714.154308	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+IsoProp+Na+H"	84.054008
"990010"	357.083976	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+2ACN+2H"	84.067652
"1591044"	715.068928	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+K+HCOOH"	84.968628
"1417068"	745.100438	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+H+CF3COOH"	115.000138
"1151364"	377.597251	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+3ACN+2H"	125.094202
"1698363"	762.126985	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+NH4+CF3COOH"	132.026685
"1635475"	767.08238	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+Na+CF3COOH"	136.98208
"1577689"	783.05632	"C08567"	"Prebetanin"	"C24H26N2O16S"	"630.1003"	"M+K+CF3COOH"	152.95602
"808057"	339.1067	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M"	0
"983776"	320.08831	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-H2O-H"	-19.01839
"75298"	225.063857333333	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M-3H"	-3.021828
"513765"	338.099424	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M-3H"	-3.021828
"889380"	112.028290666667	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-3H"	-3.021828
"10141"	338.099424	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M-2H"	-2.014552
"448608"	507.652774	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M-2H"	-2.014552
"822035"	168.546074	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-2H"	-2.014552
"84214"	677.206124	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M-H"	-1.007276
"522684"	1016.312824	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M-H"	-1.007276
"902673"	338.099424	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-H"	-1.007276
"52673"	694.232671	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M-2H+NH4"	16.019271
"493329"	1033.339371	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M-2H+NH4"	16.019271
"870037"	355.125971	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-2H+NH4"	16.019271
"33684"	699.188066	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M-2H+Na"	20.974666
"476405"	1038.294766	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M-2H+Na"	20.974666
"856393"	360.081366	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-2H+Na"	20.974666
"1627019"	360.081366	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Na-2H"	20.974666
"99174"	356.087763	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M-H+Cl"	33.962126
"539832"	525.641113	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M-H+Cl"	33.962126
"936629"	186.534413	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-H+Cl"	33.962126
"275183"	713.182802	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+Cl"	34.969402
"662867"	1052.289502	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+Cl"	34.969402
"1277823"	374.076102	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Cl"	34.969402
"18555"	715.162006	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M-2H+K"	36.948606
"457388"	1054.268706	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M-2H+K"	36.948606
"835187"	376.055306	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-2H+K"	36.948606
"1562329"	376.055306	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+K-2H"	36.948606
"952397"	384.104894	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-H+HCOOH"	44.998194
"369522"	723.211601	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+HCOOH-H"	44.998201
"352311"	737.227251	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+Hac-H"	59.013851
"1497132"	398.120551	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Hac-H"	59.013851
"961027"	406.086851	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-H+NaCOOH"	66.980151
"111024"	374.076102	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+2Cl"	69.938804
"555695"	543.629452	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+2Cl"	69.938804
"1028503"	204.522752	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2Cl"	69.938804
"1245531"	418.025585	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Br"	78.918885
"1309801"	420.081572	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Cl+HCOOH"	80.974872
"1320733"	442.063529	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Cl+NaCOOH"	102.956829
"912523"	452.092286	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M-H+CF3COOH"	112.985586
"1289954"	488.068964	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Cl+CF3COOH"	148.962264
"1371041"	304.094024	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H-2H2O"	-35.012676
"1386715"	322.104	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H-H2O"	-17.0027
"292963"	679.220676	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+H"	1.007276
"681014"	1018.327376	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+H"	1.007276
"1355177"	340.113976	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H"	1.007276
"129165"	340.113976	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+2H"	2.014552
"568726"	509.667326	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+2H"	2.014552
"1040804"	170.560626	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2H"	2.014552
"209797"	227.078409333333	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+3H"	3.021828
"648266"	340.113976	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+3H"	3.021828
"1171858"	114.042842666667	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+3H"	3.021828
"427476"	696.247223	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+NH4"	18.033823
"786284"	1035.353923	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+NH4"	18.033823
"1681347"	357.140523	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+NH4"	18.033823
"331988"	348.6272495	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+H+NH4"	19.041099
"728783"	518.1805995	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+H+NH4"	19.041099
"1483698"	179.0738995	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H+NH4"	19.041099
"398004"	701.202618	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+Na"	22.989218
"766661"	1040.309318	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+Na"	22.989218
"1610388"	362.095918	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Na"	22.989218
"320424"	351.104947	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+H+Na"	23.996494
"715028"	520.658297	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+H+Na"	23.996494
"1469948"	181.551597	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H+Na"	23.996494
"1057726"	121.370156666667	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2H+Na"	25.00377
"1260494"	372.140186	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+CH3OH+H"	33.033486
"382346"	717.176558	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+K"	38.963158
"749189"	1056.283258	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+K"	38.963158
"1551606"	378.069858	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+K"	38.963158
"311330"	359.091917	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+H+K"	39.970434
"703751"	528.645267	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+H+K"	39.970434
"1455382"	189.538567	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H+K"	39.970434
"246170"	720.247226	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+ACN+H"	42.033826
"1218883"	381.140526	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+ACN+H"	42.033826
"1199849"	191.073901	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+ACN+2H"	43.041102
"202205"	723.18456	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+2Na-H"	44.97116
"639577"	1062.29126	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+2Na-H"	44.97116
"1139803"	384.07786	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2Na-H"	44.97116
"175799"	362.095918	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+2Na"	45.978436
"617181"	531.649268	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+2Na"	45.978436
"1118501"	192.542568	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2Na"	45.978436
"1399107"	128.697470666667	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H+2Na"	46.985712
"1430737"	386.119446	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H+HCOOH"	47.012746
"221285"	367.12894	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+3H2O+2H"	56.04448
"1509471"	400.17149	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+IsoProp+H"	61.06479
"408914"	370.082888	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+Na+K"	61.952376
"771857"	539.636238	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+Na+K"	61.952376
"1673298"	200.529538	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Na+K"	61.952376
"264922"	742.229168	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+ACN+Na"	64.015768
"1237995"	403.122468	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+ACN+Na"	64.015768
"1721415"	403.145993	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+NH4+HCOOH"	64.039293
"1184583"	136.024784666667	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+3Na"	68.967654
"1649932"	408.101388	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Na+HCOOH"	68.994688
"157689"	755.13244	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+2K-H"	76.91904
"599436"	1094.23914	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+2K-H"	76.91904
"1085771"	416.02574	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2K-H"	76.91904
"146602"	378.069858	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"2M+2K"	77.926316
"582881"	547.623208	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"3M+2K"	77.926316
"1073953"	208.516508	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2K"	77.926316
"1102060"	418.040292	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2K+H"	78.933592
"1336379"	418.127907	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+DMSO+H"	79.021207
"1006486"	422.167076	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2ACN+H"	83.060376
"1525828"	423.160708	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+IsoProp+Na+H"	84.054008
"989928"	211.587176	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+2ACN+2H"	84.067652
"1589331"	424.075328	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+K+HCOOH"	84.968628
"1416814"	454.106838	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+H+CF3COOH"	115.000138
"1149288"	232.100451	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+3ACN+2H"	125.094202
"1699201"	471.133385	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+NH4+CF3COOH"	132.026685
"1635585"	476.08878	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+Na+CF3COOH"	136.98208
"1577799"	492.06272	"C08568"	"Vulgaxanthin-I"	"C14H17N3O7"	"339.1067"	"M+K+CF3COOH"	152.95602
"813634"	340.0907	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M"	0
"989355"	321.07231	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-H2O-H"	-19.01839
"74316"	225.719857333333	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M-3H"	-3.021828
"516429"	339.083424	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M-3H"	-3.021828
"890585"	112.356290666667	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-3H"	-3.021828
"9161"	339.083424	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M-2H"	-2.014552
"446534"	509.128774	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M-2H"	-2.014552
"822147"	169.038074	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-2H"	-2.014552
"84324"	679.174124	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M-H"	-1.007276
"521701"	1019.264824	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M-H"	-1.007276
"901690"	339.083424	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-H"	-1.007276
"54972"	696.200671	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M-2H+NH4"	16.019271
"495626"	1036.291371	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M-2H+NH4"	16.019271
"869056"	356.109971	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-2H+NH4"	16.019271
"33066"	701.156066	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M-2H+Na"	20.974666
"477609"	1041.246766	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M-2H+Na"	20.974666
"857597"	361.065366	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-2H+Na"	20.974666
"1627129"	361.065366	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Na-2H"	20.974666
"96004"	357.071763	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M-H+Cl"	33.962126
"539943"	527.117113	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M-H+Cl"	33.962126
"933459"	187.026413	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-H+Cl"	33.962126
"273108"	715.150802	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+Cl"	34.969402
"667716"	1055.241502	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+Cl"	34.969402
"1277933"	375.060102	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Cl"	34.969402
"16958"	717.130006	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M-2H+K"	36.948606
"457008"	1057.220706	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M-2H+K"	36.948606
"834567"	377.039306	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-2H+K"	36.948606
"1569731"	377.039306	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+K-2H"	36.948606
"953238"	385.088894	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-H+HCOOH"	44.998194
"369629"	725.179601	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+HCOOH-H"	44.998201
"349136"	739.195251	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+Hac-H"	59.013851
"1495053"	399.104551	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Hac-H"	59.013851
"961865"	407.070851	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-H+NaCOOH"	66.980151
"112953"	375.060102	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+2Cl"	69.938804
"552514"	545.105452	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+2Cl"	69.938804
"1023870"	205.014752	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2Cl"	69.938804
"1241988"	419.009585	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Br"	78.918885
"1304800"	421.065572	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Cl+HCOOH"	80.974872
"1321933"	443.047529	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Cl+NaCOOH"	102.956829
"916281"	453.076286	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M-H+CF3COOH"	112.985586
"1293718"	489.052964	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Cl+CF3COOH"	148.962264
"1372610"	305.078024	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H-2H2O"	-35.012676
"1392294"	323.088	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H-H2O"	-17.0027
"293074"	681.188676	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+H"	1.007276
"683310"	1021.279376	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+H"	1.007276
"1353465"	341.097976	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H"	1.007276
"129276"	341.097976	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+2H"	2.014552
"572117"	511.143326	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+2H"	2.014552
"1043102"	171.052626	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2H"	2.014552
"209907"	227.734409333333	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+3H"	3.021828
"648379"	341.097976	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+3H"	3.021828
"1166504"	114.370842666667	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+3H"	3.021828
"428681"	698.215223	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+NH4"	18.033823
"788581"	1038.305923	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+NH4"	18.033823
"1683817"	358.124523	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+NH4"	18.033823
"333192"	349.6112495	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+H+NH4"	19.041099
"727800"	519.6565995	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+H+NH4"	19.041099
"1480530"	179.5658995	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H+NH4"	19.041099
"397022"	703.170618	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+Na"	22.989218
"765676"	1043.261318	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+Na"	22.989218
"1610498"	363.079918	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Na"	22.989218
"321626"	352.088947	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+H+Na"	23.996494
"712222"	522.134297	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+H+Na"	23.996494
"1470058"	182.043597	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H+Na"	23.996494
"1057836"	121.698156666667	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2H+Na"	25.00377
"1259267"	373.124186	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+CH3OH+H"	33.033486
"383551"	719.144558	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+K"	38.963158
"750024"	1059.235258	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+K"	38.963158
"1553170"	379.053858	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+K"	38.963158
"312531"	360.075917	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+H+K"	39.970434
"704953"	530.121267	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+H+K"	39.970434
"1455493"	190.030567	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H+K"	39.970434
"247373"	722.215226	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+ACN+H"	42.033826
"1220086"	382.124526	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+ACN+H"	42.033826
"1201782"	191.565901	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+ACN+2H"	43.041102
"195750"	725.15256	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+2Na-H"	44.97116
"639688"	1065.24326	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+2Na-H"	44.97116
"1140642"	385.06186	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2Na-H"	44.97116
"177732"	363.079918	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+2Na"	45.978436
"618021"	533.125268	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+2Na"	45.978436
"1117882"	193.034568	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2Na"	45.978436
"1399460"	129.025470666667	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H+2Na"	46.985712
"1431575"	387.103446	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H+HCOOH"	47.012746
"222124"	368.11294	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+3H2O+2H"	56.04448
"1509701"	401.15549	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+IsoProp+H"	61.06479
"410243"	371.066888	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+Na+K"	61.952376
"773790"	541.112238	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+Na+K"	61.952376
"1673408"	201.021538	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Na+K"	61.952376
"265032"	744.197168	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+ACN+Na"	64.015768
"1237012"	404.106468	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+ACN+Na"	64.015768
"1720432"	404.129993	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+NH4+HCOOH"	64.039293
"1182870"	136.352784666667	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+3Na"	68.967654
"1650938"	409.085388	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Na+HCOOH"	68.994688
"157436"	757.10044	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+2K-H"	76.91904
"597723"	1097.19114	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+2K-H"	76.91904
"1084786"	417.00974	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2K-H"	76.91904
"142459"	379.053858	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"2M+2K"	77.926316
"585178"	549.099208	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"3M+2K"	77.926316
"1070053"	209.008508	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2K"	77.926316
"1100832"	419.024292	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2K+H"	78.933592
"1336246"	419.111907	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+DMSO+H"	79.021207
"1005906"	423.151076	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2ACN+H"	83.060376
"1524722"	424.144708	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+IsoProp+Na+H"	84.054008
"990125"	212.079176	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+2ACN+2H"	84.067652
"1588225"	425.059328	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+K+HCOOH"	84.968628
"1415463"	455.090838	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+H+CF3COOH"	115.000138
"1152678"	232.592451	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+3ACN+2H"	125.094202
"1697365"	472.117385	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+NH4+CF3COOH"	132.026685
"1634600"	477.07278	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+Na+CF3COOH"	136.98208
"1577909"	493.04672	"C08569"	"Vulgaxanthin-II"	"C14H16N2O8"	"340.0907"	"M+K+CF3COOH"	152.95602
"814839"	294.0951	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M"	0
"986912"	275.07671	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-H2O-H"	-19.01839
"74426"	195.056124	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M-3H"	-3.021828
"513987"	293.087824	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M-3H"	-3.021828
"892880"	97.024424	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-3H"	-3.021828
"11457"	293.087824	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M-2H"	-2.014552
"446644"	440.135374	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M-2H"	-2.014552
"820070"	146.040274	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-2H"	-2.014552
"87714"	587.182924	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M-H"	-1.007276
"522901"	881.278024	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M-H"	-1.007276
"901800"	293.087824	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-H"	-1.007276
"57268"	604.209471	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M-2H+NH4"	16.019271
"495736"	898.304571	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M-2H+NH4"	16.019271
"872449"	310.114371	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-2H+NH4"	16.019271
"33055"	609.164866	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M-2H+Na"	20.974666
"475532"	903.259966	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M-2H+Na"	20.974666
"856614"	315.069766	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-2H+Na"	20.974666
"1629426"	315.069766	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Na-2H"	20.974666
"98301"	311.076163	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M-H+Cl"	33.962126
"537865"	458.123713	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M-H+Cl"	33.962126
"930653"	164.028613	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-H+Cl"	33.962126
"268843"	623.159602	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+Cl"	34.969402
"661994"	917.254702	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+Cl"	34.969402
"1275492"	329.064502	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Cl"	34.969402
"19505"	625.138806	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M-2H+K"	36.948606
"459066"	919.233906	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M-2H+K"	36.948606
"835407"	331.043706	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-2H+K"	36.948606
"1566924"	331.043706	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+K-2H"	36.948606
"950431"	339.093294	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-H+HCOOH"	44.998194
"365000"	633.188401	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+HCOOH-H"	44.998201
"347422"	647.204051	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+Hac-H"	59.013851
"1495159"	353.108951	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Hac-H"	59.013851
"961242"	361.075251	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-H+NaCOOH"	66.980151
"111245"	329.064502	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+2Cl"	69.938804
"554451"	476.112052	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+2Cl"	69.938804
"1022155"	182.016952	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2Cl"	69.938804
"1241731"	373.013985	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Br"	78.918885
"1304304"	375.069972	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Cl+HCOOH"	80.974872
"1321314"	397.051929	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Cl+NaCOOH"	102.956829
"915296"	407.080686	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M-H+CF3COOH"	112.985586
"1291641"	443.057364	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Cl+CF3COOH"	148.962264
"1372720"	259.082424	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H-2H2O"	-35.012676
"1385475"	277.0924	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H-H2O"	-17.0027
"286986"	589.197476	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+H"	1.007276
"682325"	883.292576	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+H"	1.007276
"1355027"	295.102376	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H"	1.007276
"130479"	295.102376	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+2H"	2.014552
"572227"	442.149926	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+2H"	2.014552
"1043212"	148.054826	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2H"	2.014552
"210017"	197.070676	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+3H"	3.021828
"655048"	295.102376	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+3H"	3.021828
"1172079"	99.038976	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+3H"	3.021828
"429884"	606.224023	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+NH4"	18.033823
"788691"	900.319123	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+NH4"	18.033823
"1685022"	312.128923	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+NH4"	18.033823
"335488"	303.6156495	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+H+NH4"	19.041099
"730097"	450.6631995	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+H+NH4"	19.041099
"1483917"	156.5680995	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H+NH4"	19.041099
"398589"	611.179418	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+Na"	22.989218
"762506"	905.274518	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+Na"	22.989218
"1609514"	317.084318	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Na"	22.989218
"322829"	306.093347	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+H+Na"	23.996494
"710509"	453.140897	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+H+Na"	23.996494
"1463607"	159.045797	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H+Na"	23.996494
"1057946"	106.36629	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2H+Na"	25.00377
"1259621"	327.128586	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+CH3OH+H"	33.033486
"384754"	627.153358	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+K"	38.963158
"750868"	921.248458	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+K"	38.963158
"1551460"	333.058258	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+K"	38.963158
"310455"	314.080317	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+H+K"	39.970434
"703970"	461.127867	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+H+K"	39.970434
"1455604"	167.032767	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H+K"	39.970434
"246027"	630.224026	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+ACN+H"	42.033826
"1219104"	336.128926	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+ACN+H"	42.033826
"1200799"	168.568101	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+ACN+2H"	43.041102
"196953"	633.16136	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+2Na-H"	44.97116
"638705"	927.25646	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+2Na-H"	44.97116
"1140022"	339.06626	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2Na-H"	44.97116
"177843"	317.084318	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+2Na"	45.978436
"617403"	464.131868	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+2Na"	45.978436
"1118724"	170.036768	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2Na"	45.978436
"1399206"	113.693604	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H+2Na"	46.985712
"1430835"	341.107846	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H+HCOOH"	47.012746
"221626"	322.11734	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+3H2O+2H"	56.04448
"1509323"	355.15989	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+IsoProp+H"	61.06479
"410718"	325.071288	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+Na+K"	61.952376
"773900"	472.118838	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+Na+K"	61.952376
"1673518"	178.023738	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Na+K"	61.952376
"263319"	652.205968	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+ACN+Na"	64.015768
"1231653"	358.110868	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+ACN+Na"	64.015768
"1720540"	358.134393	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+NH4+HCOOH"	64.039293
"1186989"	121.020918	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+3Na"	68.967654
"1652871"	363.089788	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Na+HCOOH"	68.994688
"158640"	665.10924	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+2K-H"	76.91904
"599657"	959.20434	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+2K-H"	76.91904
"1085629"	371.01414	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2K-H"	76.91904
"142081"	333.058258	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"2M+2K"	77.926316
"585288"	480.105808	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"3M+2K"	77.926316
"1069554"	186.010708	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2K"	77.926316
"1104102"	373.028692	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2K+H"	78.933592
"1336229"	373.116307	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+DMSO+H"	79.021207
"1009018"	377.155476	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2ACN+H"	83.060376
"1524826"	378.149108	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+IsoProp+Na+H"	84.054008
"990042"	189.081376	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+2ACN+2H"	84.067652
"1587969"	379.063728	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+K+HCOOH"	84.968628
"1415085"	409.095238	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+H+CF3COOH"	115.000138
"1151695"	209.594651	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+3ACN+2H"	125.094202
"1697354"	426.121785	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+NH4+CF3COOH"	132.026685
"1634707"	431.07718	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+Na+CF3COOH"	136.98208
"1578019"	447.05112	"C08570"	"Tuliposide B"	"C11H18O9"	"294.0951"	"M+K+CF3COOH"	152.95602
"816841"	184.1463	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M"	0
"989573"	165.12791	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-H2O-H"	-19.01839
"74536"	121.756924	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M-3H"	-3.021828
"513004"	183.139024	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M-3H"	-3.021828
"891898"	60.374824	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-3H"	-3.021828
"7195"	183.139024	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M-2H"	-2.014552
"445661"	275.212174	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M-2H"	-2.014552
"818721"	91.065874	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-2H"	-2.014552
"86732"	367.285324	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M-H"	-1.007276
"524105"	551.431624	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M-H"	-1.007276
"901910"	183.139024	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-H"	-1.007276
"57378"	384.311871	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M-2H+NH4"	16.019271
"494751"	568.458171	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M-2H+NH4"	16.019271
"874381"	200.165571	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-2H+NH4"	16.019271
"39364"	389.267266	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M-2H+Na"	20.974666
"481110"	573.413566	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M-2H+Na"	20.974666
"855631"	205.120966	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-2H+Na"	20.974666
"1626257"	205.120966	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Na-2H"	20.974666
"98411"	201.127363	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M-H+Cl"	33.962126
"537975"	293.200513	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M-H+Cl"	33.962126
"932586"	109.054213	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-H+Cl"	33.962126
"270410"	403.262002	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+Cl"	34.969402
"662470"	587.408302	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+Cl"	34.969402
"1277425"	219.115702	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Cl"	34.969402
"22898"	405.241206	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M-2H+K"	36.948606
"460634"	589.387506	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M-2H+K"	36.948606
"836248"	221.094906	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-2H+K"	36.948606
"1561567"	221.094906	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+K-2H"	36.948606
"945075"	229.144494	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-H+HCOOH"	44.998194
"361827"	413.290801	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+HCOOH-H"	44.998201
"346440"	427.306451	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+Hac-H"	59.013851
"1495638"	243.160151	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Hac-H"	59.013851
"958544"	251.126451	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-H+NaCOOH"	66.980151
"110990"	219.115702	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+2Cl"	69.938804
"552738"	311.188852	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+2Cl"	69.938804
"1023361"	127.042552	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2Cl"	69.938804
"1241396"	263.065185	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Br"	78.918885
"1304373"	265.121172	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Cl+HCOOH"	80.974872
"1321788"	287.103129	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Cl+NaCOOH"	102.956829
"916136"	297.131886	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M-H+CF3COOH"	112.985586
"1296856"	333.108564	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Cl+CF3COOH"	148.962264
"1375017"	149.133624	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H-2H2O"	-35.012676
"1386316"	167.1436	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H-H2O"	-17.0027
"286732"	369.299876	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+H"	1.007276
"682435"	553.446176	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+H"	1.007276
"1353680"	185.153576	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H"	1.007276
"129496"	185.153576	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+2H"	2.014552
"574521"	277.226726	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+2H"	2.014552
"1044416"	93.080426	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2H"	2.014552
"210127"	123.771476	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+3H"	3.021828
"651880"	185.153576	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+3H"	3.021828
"1170004"	62.389376	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+3H"	3.021828
"429995"	386.326423	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+NH4"	18.033823
"792082"	570.472723	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+NH4"	18.033823
"1688412"	202.180123	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+NH4"	18.033823
"335598"	193.6668495	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+H+NH4"	19.041099
"724373"	285.7399995	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+H+NH4"	19.041099
"1479653"	101.5936995	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H+NH4"	19.041099
"399426"	391.281818	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+Na"	22.989218
"762616"	575.428118	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+Na"	22.989218
"1608524"	207.135518	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Na"	22.989218
"319659"	196.144547	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+H+Na"	23.996494
"711348"	288.217697	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+H+Na"	23.996494
"1462988"	104.071397	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H+Na"	23.996494
"1056962"	69.71669	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2H+Na"	25.00377
"1260824"	217.179786	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+CH3OH+H"	33.033486
"384864"	407.255758	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+K"	38.963158
"748789"	591.402058	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+K"	38.963158
"1550113"	223.109458	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+K"	38.963158
"307285"	204.131517	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+H+K"	39.970434
"704808"	296.204667	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+H+K"	39.970434
"1454621"	112.058367	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H+K"	39.970434
"244317"	410.326426	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+ACN+H"	42.033826
"1220309"	226.180126	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+ACN+H"	42.033826
"1203098"	113.593701	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+ACN+2H"	43.041102
"197063"	413.26376	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+2Na-H"	44.97116
"639902"	597.41006	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+2Na-H"	44.97116
"1137940"	229.11746	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2Na-H"	44.97116
"174426"	207.135518	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+2Na"	45.978436
"617514"	299.208668	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+2Na"	45.978436
"1120292"	115.062368	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2Na"	45.978436
"1401263"	77.044004	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H+2Na"	46.985712
"1431921"	231.159046	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H+HCOOH"	47.012746
"222346"	212.16854	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+3H2O+2H"	56.04448
"1510406"	245.21109	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+IsoProp+H"	61.06479
"409854"	215.122488	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+Na+K"	61.952376
"771093"	307.195638	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+Na+K"	61.952376
"1673628"	123.049338	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Na+K"	61.952376
"259055"	432.308368	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+ACN+Na"	64.015768
"1232857"	248.162068	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+ACN+Na"	64.015768
"1721744"	248.185593	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+NH4+HCOOH"	64.039293
"1184913"	84.371318	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+3Na"	68.967654
"1652616"	253.140988	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Na+HCOOH"	68.994688
"159113"	445.21164	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+2K-H"	76.91904
"599645"	629.35794	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+2K-H"	76.91904
"1087926"	261.06534	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2K-H"	76.91904
"142674"	223.109458	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"2M+2K"	77.926316
"584305"	315.182608	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"3M+2K"	77.926316
"1072096"	131.036308	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2K"	77.926316
"1104213"	263.079892	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2K+H"	78.933592
"1337924"	263.167507	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+DMSO+H"	79.021207
"1008035"	267.206676	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2ACN+H"	83.060376
"1524274"	268.200308	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+IsoProp+Na+H"	84.054008
"992606"	134.106976	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+2ACN+2H"	84.067652
"1589296"	269.114928	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+K+HCOOH"	84.968628
"1416048"	299.146438	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+H+CF3COOH"	115.000138
"1151805"	154.620251	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+3ACN+2H"	125.094202
"1698438"	316.172985	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+NH4+CF3COOH"	132.026685
"1634697"	321.12838	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+Na+CF3COOH"	136.98208
"1578129"	337.10232	"C08571"	"gamma-Undecalactone;2(3H)-Furanone 5-heptyldihydro-"	"C11H20O2"	"184.1463"	"M+K+CF3COOH"	152.95602
"816151"	648.4965	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M"	0
"987498"	629.47811	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-H2O-H"	-19.01839
"72460"	431.323724	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M-3H"	-3.021828
"510929"	647.489224	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M-3H"	-3.021828
"888728"	215.158224	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-3H"	-3.021828
"8399"	647.489224	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M-2H"	-2.014552
"444678"	971.737474	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M-2H"	-2.014552
"823571"	323.240974	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-2H"	-2.014552
"86842"	1295.985724	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M-H"	-1.007276
"526402"	1944.482224	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M-H"	-1.007276
"902020"	647.489224	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-H"	-1.007276
"55302"	1313.012271	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M-2H+NH4"	16.019271
"493768"	1961.508771	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M-2H+NH4"	16.019271
"871574"	664.515771	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-2H+NH4"	16.019271
"39475"	1317.967666	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M-2H+Na"	20.974666
"481949"	1966.464166	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M-2H+Na"	20.974666
"857927"	669.471166	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-2H+Na"	20.974666
"1625273"	669.471166	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Na-2H"	20.974666
"96334"	665.477563	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M-H+Cl"	33.962126
"540274"	989.725813	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M-H+Cl"	33.962126
"933791"	341.229313	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-H+Cl"	33.962126
"271981"	1331.962402	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+Cl"	34.969402
"665497"	1980.458902	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+Cl"	34.969402
"1281546"	683.465902	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Cl"	34.969402
"24101"	1333.941606	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M-2H+K"	36.948606
"460744"	1982.438106	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M-2H+K"	36.948606
"836358"	685.445106	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-2H+K"	36.948606
"1563864"	685.445106	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+K-2H"	36.948606
"947373"	693.494694	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-H+HCOOH"	44.998194
"363401"	1341.991201	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+HCOOH-H"	44.998201
"347285"	1356.006851	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+Hac-H"	59.013851
"1492816"	707.510351	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Hac-H"	59.013851
"958830"	715.476651	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-H+NaCOOH"	66.980151
"110123"	683.465902	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+2Cl"	69.938804
"550418"	1007.714152	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+2Cl"	69.938804
"1021363"	359.217652	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2Cl"	69.938804
"1244505"	727.415385	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Br"	78.918885
"1307074"	729.471372	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Cl+HCOOH"	80.974872
"1322626"	751.453329	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Cl+NaCOOH"	102.956829
"913441"	761.482086	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M-H+CF3COOH"	112.985586
"1292215"	797.458764	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Cl+CF3COOH"	148.962264
"1367538"	613.483824	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H-2H2O"	-35.012676
"1383742"	631.4938	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H-H2O"	-17.0027
"283915"	1298.000276	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+H"	1.007276
"680349"	1946.496776	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+H"	1.007276
"1353424"	649.503776	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H"	1.007276
"131788"	649.503776	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+2H"	2.014552
"573537"	973.752026	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+2H"	2.014552
"1044526"	325.255526	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2H"	2.014552
"211332"	433.338276	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+3H"	3.021828
"654177"	649.503776	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+3H"	3.021828
"1170114"	217.172776	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+3H"	3.021828
"426825"	1315.026823	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+NH4"	18.033823
"787819"	1963.523323	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+NH4"	18.033823
"1688524"	666.530323	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+NH4"	18.033823
"335712"	658.0170495	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+H+NH4"	19.041099
"729588"	982.2652995	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+H+NH4"	19.041099
"1482316"	333.7687995	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H+NH4"	19.041099
"396621"	1319.982218	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+Na"	22.989218
"759447"	1968.478718	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+Na"	22.989218
"1606448"	671.485718	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Na"	22.989218
"319770"	660.494747	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+H+Na"	23.996494
"711458"	984.742997	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+H+Na"	23.996494
"1463461"	336.246497	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H+Na"	23.996494
"1055611"	224.50009	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2H+Na"	25.00377
"1259107"	681.529986	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+CH3OH+H"	33.033486
"379139"	1335.956158	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+K"	38.963158
"748535"	1984.452658	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+K"	38.963158
"1546940"	687.459658	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+K"	38.963158
"306301"	668.481717	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+H+K"	39.970434
"702731"	992.729967	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+H+K"	39.970434
"1453637"	344.233467	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H+K"	39.970434
"245519"	1339.026826	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+ACN+H"	42.033826
"1218961"	690.530326	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+ACN+H"	42.033826
"1205394"	345.768801	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+ACN+2H"	43.041102
"198266"	1341.96416	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+2Na-H"	44.97116
"640012"	1990.46066	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+2Na-H"	44.97116
"1136957"	693.46766	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2Na-H"	44.97116
"173447"	671.485718	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+2Na"	45.978436
"619811"	995.733968	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+2Na"	45.978436
"1120038"	347.237468	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2Na"	45.978436
"1401740"	231.827404	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H+2Na"	46.985712
"1432031"	695.509246	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H+HCOOH"	47.012746
"223550"	676.51874	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+3H2O+2H"	56.04448
"1509426"	709.56129	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+IsoProp+H"	61.06479
"410209"	679.472688	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+Na+K"	61.952376
"771203"	1003.720938	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+Na+K"	61.952376
"1670458"	355.224438	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Na+K"	61.952376
"260258"	1361.008768	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+ACN+Na"	64.015768
"1232966"	712.512268	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+ACN+Na"	64.015768
"1718574"	712.535793	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+NH4+HCOOH"	64.039293
"1183929"	239.154718	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+3Na"	68.967654
"1651756"	717.491188	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Na+HCOOH"	68.994688
"160684"	1373.91204	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+2K-H"	76.91904
"600243"	2022.40854	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+2K-H"	76.91904
"1086091"	725.41554	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2K-H"	76.91904
"142668"	687.459658	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"2M+2K"	77.926316
"583321"	1011.707908	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"3M+2K"	77.926316
"1068921"	363.211408	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2K"	77.926316
"1101284"	727.430092	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2K+H"	78.933592
"1339615"	727.517707	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+DMSO+H"	79.021207
"1008145"	731.556876	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2ACN+H"	83.060376
"1525050"	732.550508	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+IsoProp+Na+H"	84.054008
"990765"	366.282076	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+2ACN+2H"	84.067652
"1587703"	733.465128	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+K+HCOOH"	84.968628
"1417253"	763.496638	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+H+CF3COOH"	115.000138
"1151915"	386.795351	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+3ACN+2H"	125.094202
"1698184"	780.523185	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+NH4+CF3COOH"	132.026685
"1635660"	785.47858	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+Na+CF3COOH"	136.98208
"1578239"	801.45252	"C08572"	"Uvaricin"	"C39H68O7"	"648.4965"	"M+K+CF3COOH"	152.95602
"816872"	392.1988	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M"	0
"989190"	373.18041	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-H2O-H"	-19.01839
"74757"	260.458590666667	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M-3H"	-3.021828
"512132"	391.191524	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M-3H"	-3.021828
"891024"	129.725657333333	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-3H"	-3.021828
"11789"	391.191524	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M-2H"	-2.014552
"445882"	587.290924	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M-2H"	-2.014552
"823681"	195.092124	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-2H"	-2.014552
"85858"	783.390324	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M-H"	-1.007276
"525419"	1175.589124	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M-H"	-1.007276
"902130"	391.191524	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-H"	-1.007276
"55412"	800.416871	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M-2H+NH4"	16.019271
"493878"	1192.615671	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M-2H+NH4"	16.019271
"872777"	408.218071	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-2H+NH4"	16.019271
"39584"	805.372266	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M-2H+Na"	20.974666
"480238"	1197.571066	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M-2H+Na"	20.974666
"858037"	413.173466	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-2H+Na"	20.974666
"1624289"	413.173466	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Na-2H"	20.974666
"101911"	409.179863	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M-H+Cl"	33.962126
"540749"	605.279263	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M-H+Cl"	33.962126
"939368"	213.080463	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-H+Cl"	33.962126
"275737"	819.367002	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+Cl"	34.969402
"673506"	1211.565802	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+Cl"	34.969402
"1283846"	427.168202	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Cl"	34.969402
"26400"	821.346206	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M-2H+K"	36.948606
"463774"	1213.545006	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M-2H+K"	36.948606
"841572"	429.147406	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-2H+K"	36.948606
"1567255"	429.147406	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+K-2H"	36.948606
"946390"	437.196994	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-H+HCOOH"	44.998194
"362779"	829.395801	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+HCOOH-H"	44.998201
"347755"	843.411451	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+Hac-H"	59.013851
"1493056"	451.212651	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Hac-H"	59.013851
"959265"	459.178951	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-H+NaCOOH"	66.980151
"110481"	427.168202	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+2Cl"	69.938804
"554419"	623.267602	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+2Cl"	69.938804
"1023217"	231.068802	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2Cl"	69.938804
"1243522"	471.117685	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Br"	78.918885
"1308887"	473.173672	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Cl+HCOOH"	80.974872
"1325289"	495.155629	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Cl+NaCOOH"	102.956829
"914889"	505.184386	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M-H+CF3COOH"	112.985586
"1293784"	541.161064	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Cl+CF3COOH"	148.962264
"1368299"	357.186124	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H-2H2O"	-35.012676
"1382995"	375.1961	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H-H2O"	-17.0027
"283174"	785.404876	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+H"	1.007276
"676568"	1177.603676	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+H"	1.007276
"1357911"	393.206076	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H"	1.007276
"134085"	393.206076	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+2H"	2.014552
"573648"	589.305476	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+2H"	2.014552
"1044637"	197.106676	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2H"	2.014552
"211443"	262.473142666667	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+3H"	3.021828
"657567"	393.206076	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+3H"	3.021828
"1173504"	131.740209333333	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+3H"	3.021828
"430217"	802.431423	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+NH4"	18.033823
"791210"	1194.630223	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+NH4"	18.033823
"1689727"	410.232623	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+NH4"	18.033823
"338008"	401.7193495	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+H+NH4"	19.041099
"731521"	597.8187495	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+H+NH4"	19.041099
"1482427"	205.6199495	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H+NH4"	19.041099
"397460"	807.386818	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+Na"	22.989218
"761742"	1199.585618	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+Na"	22.989218
"1605830"	415.188018	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Na"	22.989218
"320973"	404.197047	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+H+Na"	23.996494
"708653"	600.296447	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+H+Na"	23.996494
"1465029"	208.097647	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H+Na"	23.996494
"1056086"	139.067523333333	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2H+Na"	25.00377
"1258365"	425.232286	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+CH3OH+H"	33.033486
"381801"	823.360758	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+K"	38.963158
"749375"	1215.559558	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+K"	38.963158
"1545957"	431.161958	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+K"	38.963158
"303497"	412.184017	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+H+K"	39.970434
"703206"	608.283417	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+H+K"	39.970434
"1452655"	216.084617	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H+K"	39.970434
"244536"	826.431426	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+ACN+H"	42.033826
"1220528"	434.232626	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+ACN+H"	42.033826
"1203318"	217.619951	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+ACN+2H"	43.041102
"199470"	829.36876	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+2Na-H"	44.97116
"639030"	1221.56756	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+2Na-H"	44.97116
"1135974"	437.16996	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2Na-H"	44.97116
"180362"	415.188018	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+2Na"	45.978436
"623203"	611.287418	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+2Na"	45.978436
"1122335"	219.088618	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2Na"	45.978436
"1410231"	146.394837333333	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H+2Na"	46.985712
"1435058"	439.211546	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H+HCOOH"	47.012746
"226576"	420.22104	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+3H2O+2H"	56.04448
"1511723"	453.26359	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+IsoProp+H"	61.06479
"411048"	423.174988	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+Na+K"	61.952376
"770949"	619.274388	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+Na+K"	61.952376
"1667284"	227.075588	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Na+K"	61.952376
"253441"	848.413368	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+ACN+Na"	64.015768
"1226020"	456.214568	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+ACN+Na"	64.015768
"1712965"	456.238093	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+NH4+HCOOH"	64.039293
"1180027"	153.722151333333	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+3Na"	68.967654
"1652107"	461.193488	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Na+HCOOH"	68.994688
"158608"	861.31664	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+2K-H"	76.91904
"597920"	1253.51544	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+2K-H"	76.91904
"1084210"	469.11784	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2K-H"	76.91904
"143142"	431.161958	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"2M+2K"	77.926316
"581393"	627.261358	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"3M+2K"	77.926316
"1068738"	235.062558	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2K"	77.926316
"1100659"	471.132392	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2K+H"	78.933592
"1336443"	471.220007	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+DMSO+H"	79.021207
"1005938"	475.259176	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2ACN+H"	83.060376
"1524415"	476.252808	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+IsoProp+Na+H"	84.054008
"990761"	238.133226	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+2ACN+2H"	84.067652
"1587285"	477.167428	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+K+HCOOH"	84.968628
"1416633"	507.198938	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+H+CF3COOH"	115.000138
"1149838"	258.646501	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+3ACN+2H"	125.094202
"1697930"	524.225485	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+NH4+CF3COOH"	132.026685
"1637229"	529.18088	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+Na+CF3COOH"	136.98208
"1581629"	545.15482	"C08573"	"Abyssinone VI"	"C25H28O4"	"392.1988"	"M+K+CF3COOH"	152.95602
"816890"	255.0657	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M"	0
"986625"	236.04731	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-H2O-H"	-19.01839
"73773"	169.036524	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M-3H"	-3.021828
"511148"	254.058424	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M-3H"	-3.021828
"892228"	84.014624	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-3H"	-3.021828
"14085"	254.058424	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M-2H"	-2.014552
"442712"	381.591274	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M-2H"	-2.014552
"823791"	126.525574	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-2H"	-2.014552
"88154"	509.124124	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M-H"	-1.007276
"527715"	764.189824	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M-H"	-1.007276
"904426"	254.058424	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-H"	-1.007276
"59530"	526.150671	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M-2H+NH4"	16.019271
"496174"	781.216371	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M-2H+NH4"	16.019271
"876166"	271.084971	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-2H+NH4"	16.019271
"42973"	531.106066	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M-2H+Na"	20.974666
"483626"	786.171766	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M-2H+Na"	20.974666
"862887"	276.040366	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-2H+Na"	20.974666
"1625493"	276.040366	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Na-2H"	20.974666
"103115"	272.046763	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M-H+Cl"	33.962126
"544867"	399.579613	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M-H+Cl"	33.962126
"939478"	144.513913	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-H+Cl"	33.962126
"278032"	545.100802	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+Cl"	34.969402
"670456"	800.166502	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+Cl"	34.969402
"1284686"	290.035102	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Cl"	34.969402
"25416"	547.080006	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M-2H+K"	36.948606
"462790"	802.145706	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M-2H+K"	36.948606
"843871"	292.014306	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-2H+K"	36.948606
"1566271"	292.014306	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+K-2H"	36.948606
"946500"	300.063894	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-H+HCOOH"	44.998194
"363617"	555.129601	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+HCOOH-H"	44.998201
"347864"	569.145251	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+Hac-H"	59.013851
"1493291"	314.079551	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Hac-H"	59.013851
"959373"	322.045851	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-H+NaCOOH"	66.980151
"110709"	290.035102	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+2Cl"	69.938804
"549982"	417.567952	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+2Cl"	69.938804
"1022961"	162.502252	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2Cl"	69.938804
"1244727"	333.984585	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Br"	78.918885
"1306079"	336.040572	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Cl+HCOOH"	80.974872
"1321022"	358.022529	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Cl+NaCOOH"	102.956829
"914635"	368.051286	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M-H+CF3COOH"	112.985586
"1290248"	404.027964	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Cl+CF3COOH"	148.962264
"1368045"	220.053024	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H-2H2O"	-35.012676
"1383474"	238.063	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H-H2O"	-17.0027
"283528"	511.138676	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+H"	1.007276
"675863"	766.204376	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+H"	1.007276
"1351809"	256.072976	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H"	1.007276
"135284"	256.072976	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+2H"	2.014552
"572661"	383.605826	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+2H"	2.014552
"1048028"	128.540126	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2H"	2.014552
"215928"	171.051076	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+3H"	3.021828
"658043"	256.072976	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+3H"	3.021828
"1172521"	86.029176	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+3H"	3.021828
"436524"	528.165223	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+NH4"	18.033823
"792413"	783.230923	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+NH4"	18.033823
"1692025"	273.099523	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+NH4"	18.033823
"343588"	264.5862495	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+H+NH4"	19.041099
"731635"	392.1190995	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+H+NH4"	19.041099
"1483267"	137.0533995	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H+NH4"	19.041099
"399758"	533.120618	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+Na"	22.989218
"764038"	788.186318	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+Na"	22.989218
"1607762"	278.054918	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Na"	22.989218
"321083"	267.063947	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+H+Na"	23.996494
"714597"	394.596797	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+H+Na"	23.996494
"1470608"	139.531097	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H+Na"	23.996494
"1056195"	93.35649	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2H+Na"	25.00377
"1261152"	288.099186	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+CH3OH+H"	33.033486
"380454"	549.094558	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+K"	38.963158
"748393"	804.160258	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+K"	38.963158
"1551172"	294.028858	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+K"	38.963158
"310900"	275.050917	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+H+K"	39.970434
"704412"	402.583767	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+H+K"	39.970434
"1452765"	147.518067	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H+K"	39.970434
"243550"	552.165226	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+ACN+H"	42.033826
"1219539"	297.099526	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+ACN+H"	42.033826
"1205250"	149.053401	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+ACN+2H"	43.041102
"198487"	555.10256	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+2Na-H"	44.97116
"641326"	810.16826	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+2Na-H"	44.97116
"1136084"	300.03686	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2Na-H"	44.97116
"183754"	278.054918	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+2Na"	45.978436
"626592"	405.587768	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+2Na"	45.978436
"1127913"	150.522068	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2Na"	45.978436
"1409248"	100.683804	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H+2Na"	46.985712
"1435897"	302.078446	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H+HCOOH"	47.012746
"229966"	283.08794	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+3H2O+2H"	56.04448
"1510735"	316.13049	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+IsoProp+H"	61.06479
"411520"	286.041888	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+Na+K"	61.952376
"772516"	413.574738	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+Na+K"	61.952376
"1667758"	158.509038	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Na+K"	61.952376
"253550"	574.147168	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+ACN+Na"	64.015768
"1226297"	319.081468	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+ACN+Na"	64.015768
"1713031"	319.104993	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+NH4+HCOOH"	64.039293
"1180865"	108.011118	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+3Na"	68.967654
"1651246"	324.060388	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Na+HCOOH"	68.994688
"158718"	587.05044	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+2K-H"	76.91904
"597301"	842.11614	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+2K-H"	76.91904
"1085095"	331.98474	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2K-H"	76.91904
"141532"	294.028858	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"2M+2K"	77.926316
"581943"	421.561708	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"3M+2K"	77.926316
"1069130"	166.496008	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2K"	77.926316
"1100532"	333.999292	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2K+H"	78.933592
"1337160"	334.086907	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+DMSO+H"	79.021207
"1005932"	338.126076	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2ACN+H"	83.060376
"1524338"	339.119708	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+IsoProp+Na+H"	84.054008
"994031"	169.566676	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+2ACN+2H"	84.067652
"1592908"	340.034328	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+K+HCOOH"	84.968628
"1419660"	370.065838	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+H+CF3COOH"	115.000138
"1152136"	190.079951	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+3ACN+2H"	125.094202
"1698405"	387.092385	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+NH4+CF3COOH"	132.026685
"1637339"	392.04778	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+Na+CF3COOH"	136.98208
"1581739"	408.02172	"C08574"	"Apigeninidin"	"C15H11O4"	"255.0657"	"M+K+CF3COOH"	152.95602
"812107"	287.0556	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M"	0
"986733"	268.03721	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-H2O-H"	-19.01839
"74974"	190.363124	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M-3H"	-3.021828
"511257"	286.048324	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M-3H"	-3.021828
"890149"	94.677924	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-3H"	-3.021828
"13101"	286.048324	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M-2H"	-2.014552
"445008"	429.576124	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M-2H"	-2.014552
"824994"	142.520524	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-2H"	-2.014552
"88264"	573.103924	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M-H"	-1.007276
"526731"	860.159524	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M-H"	-1.007276
"904536"	286.048324	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-H"	-1.007276
"58911"	590.130471	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M-2H+NH4"	16.019271
"495190"	877.186071	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M-2H+NH4"	16.019271
"877369"	303.074871	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-2H+NH4"	16.019271
"43083"	595.085866	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M-2H+Na"	20.974666
"483736"	882.141466	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M-2H+Na"	20.974666
"863724"	308.030266	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-2H+Na"	20.974666
"1622322"	308.030266	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Na-2H"	20.974666
"106506"	304.036663	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M-H+Cl"	33.962126
"547164"	447.564463	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M-H+Cl"	33.962126
"940681"	160.508863	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-H+Cl"	33.962126
"281180"	609.080602	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+Cl"	34.969402
"670565"	896.136202	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+Cl"	34.969402
"1284067"	322.025002	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Cl"	34.969402
"29534"	611.059806	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M-2H+K"	36.948606
"465089"	898.115406	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M-2H+K"	36.948606
"839607"	324.004206	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-2H+K"	36.948606
"1566381"	324.004206	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+K-2H"	36.948606
"944422"	332.053794	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-H+HCOOH"	44.998194
"362636"	619.109401	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+HCOOH-H"	44.998201
"346511"	633.125051	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+Hac-H"	59.013851
"1493644"	346.069451	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Hac-H"	59.013851
"959363"	354.035751	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-H+NaCOOH"	66.980151
"110455"	322.025002	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+2Cl"	69.938804
"550260"	465.552802	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+2Cl"	69.938804
"1022098"	178.497202	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2Cl"	69.938804
"1241553"	365.974485	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Br"	78.918885
"1308015"	368.030472	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Cl+HCOOH"	80.974872
"1321135"	390.012429	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Cl+NaCOOH"	102.956829
"913287"	400.041186	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M-H+CF3COOH"	112.985586
"1290360"	436.017864	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Cl+CF3COOH"	148.962264
"1367179"	252.042924	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H-2H2O"	-35.012676
"1385290"	270.0529	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H-H2O"	-17.0027
"287163"	575.118476	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+H"	1.007276
"676010"	862.174076	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+H"	1.007276
"1351470"	288.062876	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H"	1.007276
"136488"	288.062876	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+2H"	2.014552
"573865"	431.590676	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+2H"	2.014552
"1044857"	144.535076	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2H"	2.014552
"216038"	192.377676	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+3H"	3.021828
"653412"	288.062876	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+3H"	3.021828
"1172631"	96.692476	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+3H"	3.021828
"435904"	592.145023	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+NH4"	18.033823
"791430"	879.200623	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+NH4"	18.033823
"1692133"	305.089423	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+NH4"	18.033823
"339321"	296.5761495	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+H+NH4"	19.041099
"731745"	440.1039495	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+H+NH4"	19.041099
"1481919"	153.0483495	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H+NH4"	19.041099
"398409"	597.100418	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+Na"	22.989218
"765242"	884.156018	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+Na"	22.989218
"1607872"	310.044818	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Na"	22.989218
"322286"	299.053847	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+H+Na"	23.996494
"713613"	442.581647	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+H+Na"	23.996494
"1470718"	155.526047	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H+Na"	23.996494
"1057398"	104.01979	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2H+Na"	25.00377
"1260533"	320.089086	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+CH3OH+H"	33.033486
"380200"	613.074358	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+K"	38.963158
"750691"	900.129958	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+K"	38.963158
"1550552"	326.018758	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+K"	38.963158
"312833"	307.040817	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+H+K"	39.970434
"704522"	450.568617	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+H+K"	39.970434
"1458343"	163.513017	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H+K"	39.970434
"246943"	616.145026	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+ACN+H"	42.033826
"1220743"	329.089426	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+ACN+H"	42.033826
"1206819"	165.048351	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+ACN+2H"	43.041102
"201878"	619.08236	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+2Na-H"	44.97116
"639249"	906.13796	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+2Na-H"	44.97116
"1139475"	332.02676	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2Na-H"	44.97116
"184595"	310.044818	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+2Na"	45.978436
"627796"	453.572618	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+2Na"	45.978436
"1129846"	166.517018	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2Na"	45.978436
"1409358"	111.347104	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H+2Na"	46.985712
"1437465"	334.068346	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H+HCOOH"	47.012746
"230076"	315.07784	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+3H2O+2H"	56.04448
"1513768"	348.12039	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+IsoProp+H"	61.06479
"414549"	318.031788	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+Na+K"	61.952376
"774813"	461.559588	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+Na+K"	61.952376
"1674069"	174.503988	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Na+K"	61.952376
"257674"	638.126968	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+ACN+Na"	64.015768
"1233299"	351.071368	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+ACN+Na"	64.015768
"1719997"	351.094893	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+NH4+HCOOH"	64.039293
"1183532"	118.674418	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+3Na"	68.967654
"1656341"	356.050288	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Na+HCOOH"	68.994688
"162109"	651.03024	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+2K-H"	76.91904
"603854"	938.08584	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+2K-H"	76.91904
"1092741"	363.97464	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2K-H"	76.91904
"147373"	326.018758	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"2M+2K"	77.926316
"582919"	469.546558	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"3M+2K"	77.926316
"1070469"	182.490958	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2K"	77.926316
"1101494"	365.989192	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2K+H"	78.933592
"1343225"	366.076807	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+DMSO+H"	79.021207
"1009568"	370.115976	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2ACN+H"	83.060376
"1526721"	371.109608	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+IsoProp+Na+H"	84.054008
"997420"	185.561626	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+2ACN+2H"	84.067652
"1591925"	372.024228	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+K+HCOOH"	84.968628
"1419770"	402.055738	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+H+CF3COOH"	115.000138
"1152246"	206.074901	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+3ACN+2H"	125.094202
"1698151"	419.082285	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+NH4+CF3COOH"	132.026685
"1637449"	424.03768	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+Na+CF3COOH"	136.98208
"1581849"	440.01162	"C08575"	"Aurantinidin"	"C15H11O6"	"287.0556"	"M+K+CF3COOH"	152.95602
"814404"	286.0477	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M"	0
"988302"	267.02931	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"75086"	189.691190666667	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"514647"	285.040424	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"891353"	94.3419573333333	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"6650"	285.040424	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"444022"	428.064274	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"821822"	142.016574	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"82906"	571.088124	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"526841"	857.135824	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"904646"	285.040424	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"56835"	588.114671	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"493112"	874.162371	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"878087"	302.066971	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"42100"	593.070066	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"481659"	879.117766	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"863349"	307.022366	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1625713"	307.022366	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"104430"	303.028763	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"545086"	446.052613	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"939695"	160.004913	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"276065"	607.064802	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"672862"	893.112502	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1285269"	321.017102	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"27820"	609.044006	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"465199"	895.091706	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"845184"	322.996306	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1566491"	322.996306	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"948907"	331.045894	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"367121"	617.093601	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"345974"	631.109251	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1493878"	345.061551	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"959475"	353.027851	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"110934"	321.017102	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"550096"	464.040952	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1022817"	177.993252	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1242394"	364.966585	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1311041"	367.022572	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1324891"	389.004529	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"914492"	399.033286	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1291563"	435.009964	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1367619"	251.035024	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1385764"	269.045	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"286544"	573.102676	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"676169"	859.150376	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1353125"	287.054976	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"136598"	287.054976	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"571788"	430.078826	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1041685"	144.031126	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"215055"	191.705742666667	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"653522"	287.054976	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1172741"	96.3565093333333	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"437716"	590.129223	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"793726"	876.176923	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1691150"	304.081523	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"340524"	295.5682495	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"729669"	438.5920995	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1481302"	152.5443995	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"398886"	595.084618	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"765354"	881.132318	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1606890"	309.036918	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"321303"	298.045947	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"712630"	441.069797	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1471921"	155.022097	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1057508"	103.683823333333	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1259550"	319.081186	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"378124"	611.058558	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"752626"	897.106258	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1551756"	325.010858	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"314165"	306.032917	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"702446"	449.056767	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1459186"	163.009067	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"247055"	614.129226	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1219763"	328.081526	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1208024"	164.544401	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"204157"	617.06656	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"643902"	903.11426	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1146911"	331.01886	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"187377"	309.036918	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"624628"	452.060768	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1128133"	166.013068	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1411656"	111.011137333333	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1436117"	333.060446	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"227999"	314.06994	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1516065"	347.11249	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"414659"	317.023888	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"776747"	460.047738	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1675273"	174.000038	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"262888"	636.111168	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1237783"	350.063468	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1723389"	350.086993	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1190204"	118.338451333333	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1660826"	355.042388	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"165501"	649.01444	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"609431"	935.06214	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1093581"	362.96674	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"148577"	325.010858	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"589228"	468.034708	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1077020"	181.987008	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1105857"	364.981292	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1346617"	365.068907	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1016240"	369.108076	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1532178"	370.101708	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"1001905"	185.057676	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1599689"	371.016328	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1424255"	401.047838	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1152356"	205.570951	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1698626"	418.074385	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1637559"	423.02978	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1581959"	439.00372	"C08576"	"Aureusidin"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"812326"	302.0427	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M"	0
"985858"	283.02431	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"68634"	200.354524	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"508195"	301.035424	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"887087"	99.673624	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"2382"	301.035424	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"444131"	452.056774	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"821931"	150.014074	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"81558"	603.078124	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"521483"	905.120824	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"904756"	301.035424	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"58767"	620.104671	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"493222"	922.147371	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"874309"	318.061971	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"41117"	625.060066	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"482863"	927.102766	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"862613"	323.017366	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1625823"	323.017366	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"104540"	319.023763	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"541914"	470.045113	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"938712"	168.002413	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"275081"	639.054802	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"673581"	941.097502	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1286959"	337.012102	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"27930"	641.034006	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"465309"	943.076706	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"845294"	338.991306	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1560041"	338.991306	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"946830"	347.040894	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"367231"	649.083601	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"346490"	663.099251	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1493623"	361.056551	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"958853"	369.022851	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"111289"	337.012102	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"551210"	488.033452	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1021506"	185.990752	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1243962"	380.961585	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1307870"	383.017572	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1322450"	404.999529	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"919705"	415.028286	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1293133"	451.004964	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1369470"	267.030024	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1384415"	285.04	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"285195"	605.092676	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"677244"	907.135376	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1352869"	303.049976	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"133428"	303.049976	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"570804"	454.071326	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1041795"	152.028626	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"218203"	202.369076	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"653632"	303.049976	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1175525"	101.688176	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"436124"	622.119223	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"794929"	924.161923	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1692353"	320.076523	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"337354"	311.5632495	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"729777"	462.5845995	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1482505"	160.5418995	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"400089"	627.074618	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"758902"	929.117318	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1605907"	325.031918	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"321413"	314.040947	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"712740"	465.062297	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1470938"	163.019597	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1057618"	109.01549	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1260389"	335.076186	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"378234"	643.048558	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"751643"	945.091258	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1551866"	341.005858	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"313904"	322.027917	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"704742"	473.049267	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1458568"	171.006567	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"246072"	646.119226	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1218780"	344.076526	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1205947"	172.541901	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"203803"	649.05656	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"643483"	951.09926	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1146382"	347.01386	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"186636"	325.031918	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"627166"	476.053268	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1128241"	174.010568	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1410672"	116.342804	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1442787"	349.055446	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"224464"	330.06494	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1519454"	363.10749	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"412216"	333.018888	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"780139"	484.040238	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1674290"	181.997538	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"262998"	668.101168	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1236800"	366.058468	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1722405"	366.081993	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1192135"	123.670118	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1663486"	371.037388	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"167797"	681.00444	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"608448"	983.04714	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1094057"	378.96174	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"153789"	341.005858	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"589338"	492.027208	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1079317"	189.984508	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1105967"	380.976292	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1348912"	381.063907	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1019629"	385.103076	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1532288"	386.096708	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"1002015"	193.055176	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1599799"	387.011328	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1424365"	417.042838	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1152466"	213.568451	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1698007"	434.069385	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1637669"	439.02478	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1578789"	454.99872	"C08577"	"Bracteatin"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"806967"	272.0685	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M"	0
"980498"	253.05011	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"64730"	180.371724	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"503559"	271.061224	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"880140"	89.682224	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"416"	271.061224	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"439965"	407.095474	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"817652"	135.026974	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"78630"	543.129724	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"519759"	815.198224	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"898665"	271.061224	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"49397"	560.156271	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"487525"	832.224771	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"865787"	288.087771	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"32711"	565.111666	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"474218"	837.180166	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"849466"	293.043166	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1618836"	293.043166	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"94671"	289.049563	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"535463"	425.083813	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"941254"	153.015313	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"273003"	579.106402	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"674420"	851.174902	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1288044"	307.037902	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"21478"	581.085606	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"467602"	853.154106	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"844310"	309.017106	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1562336"	309.017106	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"950219"	317.066694	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"363694"	589.135201	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"346602"	603.150851	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1493729"	331.082351	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"959327"	339.048651	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"111637"	307.037902	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"551685"	443.072152	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1023402"	171.003652	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1244073"	350.987385	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1308708"	353.043372	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1323289"	375.025329	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"913982"	385.054086	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1290690"	421.030764	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1368118"	237.055824	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1383420"	255.0658	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"283591"	545.144276	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"676741"	817.212776	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1352604"	273.075776	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"133536"	273.075776	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"573101"	409.110026	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1052111"	137.041526	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"216366"	182.386276	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"655926"	273.075776	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1174050"	91.696776	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"431855"	562.170823	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"798319"	834.239323	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1688087"	290.102323	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"338555"	281.5890495	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"732071"	417.6232995	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1488077"	145.5547995	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"398009"	567.126218	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"759007"	839.194718	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1606376"	295.057718	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"317145"	284.066747	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"709927"	420.100997	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1468858"	148.032497	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1056633"	99.02409	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1258672"	305.101986	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"381258"	583.100158	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"745543"	855.168658	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1553070"	311.031658	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"312068"	292.053717	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"702666"	428.087967	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1456487"	156.019467	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"245089"	586.170826	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1216701"	314.102326	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1206058"	157.554801	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"201115"	589.10816	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"641767"	861.17666	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1143086"	317.03966	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"185284"	295.057718	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"623751"	431.091968	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1126162"	159.023468	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1406406"	106.351404	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1433781"	319.081246	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"224937"	300.09074	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1515190"	333.13329	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"418155"	303.044688	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"781342"	439.078938	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1674401"	167.010438	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"262380"	608.152768	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1236910"	336.084268	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1720328"	336.107793	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1191153"	113.678718	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1661044"	341.063188	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"167908"	621.05604	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"608558"	893.12454	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1097445"	348.98754	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"154265"	311.031658	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"592728"	447.065908	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1079427"	174.997408	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1111180"	351.002092	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1347929"	351.089707	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1015366"	355.128876	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1532398"	356.122508	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"997751"	178.068076	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1595535"	357.037128	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1420101"	387.068638	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1153669"	198.581351	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1699210"	404.095185	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1637779"	409.05058	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1578899"	425.02452	"C08578"	"Butein"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"809265"	584.4229	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M"	0
"976600"	565.40451	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-H2O-H"	-19.01839
"63747"	388.607990666667	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M-3H"	-3.021828
"503063"	583.415624	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M-3H"	-3.021828
"880981"	193.800357333333	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-3H"	-3.021828
"1135"	583.415624	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M-2H"	-2.014552
"440815"	875.627074	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M-2H"	-2.014552
"818253"	291.204174	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-2H"	-2.014552
"79458"	1167.838524	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M-H"	-1.007276
"519989"	1752.261424	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M-H"	-1.007276
"898899"	583.415624	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-H"	-1.007276
"48411"	1184.865071	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M-2H+NH4"	16.019271
"488206"	1769.287971	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M-2H+NH4"	16.019271
"864915"	600.442171	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-2H+NH4"	16.019271
"32088"	1189.820466	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M-2H+Na"	20.974666
"471895"	1774.243366	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M-2H+Na"	20.974666
"849328"	605.397566	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-2H+Na"	20.974666
"1619025"	605.397566	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Na-2H"	20.974666
"95025"	601.403963	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M-H+Cl"	33.962126
"535112"	893.615413	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M-H+Cl"	33.962126
"940024"	309.192513	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-H+Cl"	33.962126
"270926"	1203.815202	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+Cl"	34.969402
"673190"	1788.238102	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+Cl"	34.969402
"1288195"	619.392302	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Cl"	34.969402
"21588"	1205.794406	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M-2H+K"	36.948606
"467712"	1790.217306	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M-2H+K"	36.948606
"845513"	621.371506	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-2H+K"	36.948606
"1561353"	621.371506	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+K-2H"	36.948606
"950329"	629.421094	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-H+HCOOH"	44.998194
"364170"	1213.844001	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+HCOOH-H"	44.998201
"346956"	1227.859651	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+Hac-H"	59.013851
"1494690"	643.436751	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Hac-H"	59.013851
"959804"	651.403051	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-H+NaCOOH"	66.980151
"111017"	619.392302	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+2Cl"	69.938804
"551796"	911.603752	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+2Cl"	69.938804
"1027159"	327.180852	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2Cl"	69.938804
"1243092"	663.341785	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Br"	78.918885
"1307724"	665.397772	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Cl+HCOOH"	80.974872
"1321576"	687.379729	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Cl+NaCOOH"	102.956829
"916279"	697.408486	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M-H+CF3COOH"	112.985586
"1290800"	733.385164	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Cl+CF3COOH"	148.962264
"1369321"	549.410224	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H-2H2O"	-35.012676
"1383168"	567.4202	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H-H2O"	-17.0027
"283016"	1169.853076	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+H"	1.007276
"676206"	1754.275976	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+H"	1.007276
"1351624"	585.430176	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H"	1.007276
"134740"	585.430176	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+2H"	2.014552
"573211"	877.641626	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+2H"	2.014552
"1047479"	293.218726	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2H"	2.014552
"216476"	390.622542666667	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+3H"	3.021828
"653849"	585.430176	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+3H"	3.021828
"1168693"	195.814909333333	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+3H"	3.021828
"427592"	1186.879623	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+NH4"	18.033823
"797701"	1771.302523	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+NH4"	18.033823
"1683825"	602.456723	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+NH4"	18.033823
"338665"	593.9434495	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+H+NH4"	19.041099
"729994"	886.1548995	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+H+NH4"	19.041099
"1487094"	301.7319995	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H+NH4"	19.041099
"398119"	1191.835018	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+Na"	22.989218
"756931"	1776.257918	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+Na"	22.989218
"1604299"	607.412118	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Na"	22.989218
"315064"	596.421147	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+H+Na"	23.996494
"711495"	888.632597	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+H+Na"	23.996494
"1467874"	304.209697	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H+Na"	23.996494
"1056742"	203.142223333333	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2H+Na"	25.00377
"1259024"	617.456386	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+CH3OH+H"	33.033486
"377596"	1207.808958	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+K"	38.963158
"746746"	1792.231858	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+K"	38.963158
"1553180"	623.386058	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+K"	38.963158
"312542"	604.408117	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+H+K"	39.970434
"703868"	896.619567	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+H+K"	39.970434
"1456597"	312.196667	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H+K"	39.970434
"245199"	1210.879626	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+ACN+H"	42.033826
"1217904"	626.456726	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+ACN+H"	42.033826
"1206168"	313.732001	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+ACN+2H"	43.041102
"202197"	1213.81696	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+2Na-H"	44.97116
"640783"	1798.23986	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+2Na-H"	44.97116
"1135541"	629.39406	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2Na-H"	44.97116
"184300"	607.412118	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+2Na"	45.978436
"625320"	899.623568	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+2Na"	45.978436
"1122992"	315.200668	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2Na"	45.978436
"1406516"	210.469537333333	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H+2Na"	46.985712
"1433892"	631.435646	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H+HCOOH"	47.012746
"228328"	612.44514	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+3H2O+2H"	56.04448
"1515300"	645.48769	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+H"	61.06479
"418265"	615.399088	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+Na+K"	61.952376
"780359"	907.610538	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+Na+K"	61.952376
"1675604"	323.187638	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Na+K"	61.952376
"256657"	1232.861568	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+ACN+Na"	64.015768
"1237020"	648.438668	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+ACN+Na"	64.015768
"1725906"	648.462193	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+NH4+HCOOH"	64.039293
"1191990"	217.796851333333	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+3Na"	68.967654
"1661154"	653.417588	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Na+HCOOH"	68.994688
"168018"	1245.76484	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+2K-H"	76.91904
"606482"	1830.18774	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+2K-H"	76.91904
"1092086"	661.34194	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2K-H"	76.91904
"155468"	623.386058	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"2M+2K"	77.926316
"592838"	915.597508	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"3M+2K"	77.926316
"1080631"	331.174608	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2K"	77.926316
"1110562"	663.356492	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2K+H"	78.933592
"1346946"	663.444107	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+DMSO+H"	79.021207
"1016569"	667.483276	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2ACN+H"	83.060376
"1533602"	668.476908	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+Na+H"	84.054008
"995674"	334.245276	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+2ACN+2H"	84.067652
"1595645"	669.391528	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+K+HCOOH"	84.968628
"1423491"	699.423038	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+H+CF3COOH"	115.000138
"1155966"	354.758551	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+3ACN+2H"	125.094202
"1699321"	716.449585	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+NH4+CF3COOH"	132.026685
"1637889"	721.40498	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+Na+CF3COOH"	136.98208
"1579009"	737.37892	"C08579"	"Antheraxanthin"	"C40H56O3"	"584.4229"	"M+K+CF3COOH"	152.95602
"811562"	596.3866	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M"	0
"977439"	577.36821	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-H2O-H"	-19.01839
"64589"	396.583790666667	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M-3H"	-3.021828
"503419"	595.379324	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M-3H"	-3.021828
"882304"	197.788257333333	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-3H"	-3.021828
"1132"	595.379324	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M-2H"	-2.014552
"440812"	893.572624	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M-2H"	-2.014552
"817639"	297.186024	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-2H"	-2.014552
"79335"	1191.765924	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M-H"	-1.007276
"519374"	1788.152524	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M-H"	-1.007276
"896208"	595.379324	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-H"	-1.007276
"48522"	1208.792471	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M-2H+NH4"	16.019271
"487953"	1805.179071	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M-2H+NH4"	16.019271
"865520"	612.405871	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-2H+NH4"	16.019271
"33790"	1213.747866	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M-2H+Na"	20.974666
"475537"	1810.134466	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M-2H+Na"	20.974666
"848749"	617.361266	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-2H+Na"	20.974666
"1618930"	617.361266	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Na-2H"	20.974666
"95136"	613.367663	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M-H+Cl"	33.962126
"534538"	911.560963	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M-H+Cl"	33.962126
"940134"	315.174363	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-H+Cl"	33.962126
"273223"	1227.742602	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+Cl"	34.969402
"675564"	1824.129202	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+Cl"	34.969402
"1288312"	631.356002	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Cl"	34.969402
"31402"	1229.721806	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M-2H+K"	36.948606
"467827"	1826.108406	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M-2H+K"	36.948606
"845263"	633.335206	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-2H+K"	36.948606
"1565836"	633.335206	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+K-2H"	36.948606
"948254"	641.384794	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-H+HCOOH"	44.998194
"364281"	1237.771401	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+HCOOH-H"	44.998201
"349257"	1251.787051	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+Hac-H"	59.013851
"1494195"	655.400451	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Hac-H"	59.013851
"959911"	663.366751	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-H+NaCOOH"	66.980151
"111372"	631.356002	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+2Cl"	69.938804
"551301"	929.549302	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+2Cl"	69.938804
"1031644"	333.162702	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2Cl"	69.938804
"1244660"	675.305485	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Br"	78.918885
"1311482"	677.361472	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Cl+HCOOH"	80.974872
"1327884"	699.343429	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Cl+NaCOOH"	102.956829
"921129"	709.372186	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M-H+CF3COOH"	112.985586
"1294557"	745.348864	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Cl+CF3COOH"	148.962264
"1371623"	561.373924	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H-2H2O"	-35.012676
"1386933"	579.3839	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H-H2O"	-17.0027
"284063"	1193.780476	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+H"	1.007276
"676242"	1790.167076	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+H"	1.007276
"1353201"	597.393876	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H"	1.007276
"137037"	597.393876	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+2H"	2.014552
"573320"	895.587176	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+2H"	2.014552
"1049776"	299.200576	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2H"	2.014552
"215491"	398.598342666667	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+3H"	3.021828
"656146"	597.393876	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+3H"	3.021828
"1167709"	199.802809333333	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+3H"	3.021828
"436448"	1210.807023	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+NH4"	18.033823
"798539"	1807.193623	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+NH4"	18.033823
"1686121"	614.420423	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+NH4"	18.033823
"342056"	605.9071495	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+H+NH4"	19.041099
"729010"	904.1004495	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+H+NH4"	19.041099
"1488299"	307.7138495	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H+NH4"	19.041099
"397137"	1215.762418	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+Na"	22.989218
"757041"	1812.149018	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+Na"	22.989218
"1605138"	619.375818	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Na"	22.989218
"315174"	608.384847	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+H+Na"	23.996494
"709785"	906.578147	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+H+Na"	23.996494
"1467984"	310.191547	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H+Na"	23.996494
"1054665"	207.130123333333	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2H+Na"	25.00377
"1258650"	629.420086	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+CH3OH+H"	33.033486
"377706"	1231.736358	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+K"	38.963158
"746856"	1828.122958	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+K"	38.963158
"1552926"	635.349758	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+K"	38.963158
"313746"	616.371817	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+H+K"	39.970434
"702884"	914.565117	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+H+K"	39.970434
"1457800"	318.178517	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H+K"	39.970434
"249317"	1234.807026	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+ACN+H"	42.033826
"1218014"	638.420426	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+ACN+H"	42.033826
"1208464"	319.713851	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+ACN+2H"	43.041102
"201334"	1237.74436	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+2Na-H"	44.97116
"640893"	1834.13096	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+2Na-H"	44.97116
"1135651"	641.35776	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2Na-H"	44.97116
"186598"	619.375818	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+2Na"	45.978436
"620691"	917.569118	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+2Na"	45.978436
"1124196"	321.182518	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2Na"	45.978436
"1405534"	214.457437333333	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H+2Na"	46.985712
"1440929"	643.399346	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H+HCOOH"	47.012746
"228438"	624.40884	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+3H2O+2H"	56.04448
"1518691"	657.45139	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+IsoProp+H"	61.06479
"418375"	627.362788	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+Na+K"	61.952376
"780469"	925.556088	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+Na+K"	61.952376
"1675714"	329.169488	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Na+K"	61.952376
"260047"	1256.788968	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+ACN+Na"	64.015768
"1239682"	660.402368	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+ACN+Na"	64.015768
"1726016"	660.425893	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+NH4+HCOOH"	64.039293
"1192343"	221.784751333333	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+3Na"	68.967654
"1664423"	665.381288	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Na+HCOOH"	68.994688
"171896"	1269.69224	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+2K-H"	76.91904
"610844"	1866.07884	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+2K-H"	76.91904
"1094384"	673.30564	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2K-H"	76.91904
"154482"	635.349758	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"2M+2K"	77.926316
"589668"	933.543058	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"3M+2K"	77.926316
"1077460"	337.156458	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2K"	77.926316
"1113831"	675.320192	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2K+H"	78.933592
"1349609"	675.407807	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+DMSO+H"	79.021207
"1018745"	679.446976	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2ACN+H"	83.060376
"1533712"	680.440608	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+IsoProp+Na+H"	84.054008
"1002345"	340.227126	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+2ACN+2H"	84.067652
"1599035"	681.355228	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+K+HCOOH"	84.968628
"1424694"	711.386738	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+H+CF3COOH"	115.000138
"1156076"	360.740401	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+3ACN+2H"	125.094202
"1701254"	728.413285	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+NH4+CF3COOH"	132.026685
"1641279"	733.36868	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+Na+CF3COOH"	136.98208
"1579119"	749.34262	"C08580"	"Astaxanthin"	"C40H52O4"	"596.3866"	"M+K+CF3COOH"	152.95602
"811672"	426.277	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M"	0
"976820"	407.25861	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-H2O-H"	-19.01839
"64575"	283.177390666667	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M-3H"	-3.021828
"504013"	425.269724	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M-3H"	-3.021828
"881687"	141.085057333333	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-3H"	-3.021828
"2811"	425.269724	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M-2H"	-2.014552
"440681"	638.408224	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M-2H"	-2.014552
"817191"	212.131224	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-2H"	-2.014552
"80540"	851.546724	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M-H"	-1.007276
"518536"	1277.823724	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M-H"	-1.007276
"895794"	425.269724	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-H"	-1.007276
"50455"	868.573271	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M-2H+NH4"	16.019271
"487374"	1294.850271	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M-2H+NH4"	16.019271
"864225"	442.296271	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-2H+NH4"	16.019271
"32198"	873.528666	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M-2H+Na"	20.974666
"477834"	1299.805666	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M-2H+Na"	20.974666
"850168"	447.251666	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-2H+Na"	20.974666
"1618618"	447.251666	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Na-2H"	20.974666
"95134"	443.258063	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M-H+Cl"	33.962126
"534333"	656.396563	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M-H+Cl"	33.962126
"938058"	230.119563	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-H+Cl"	33.962126
"278800"	887.523402	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+Cl"	34.969402
"672317"	1313.800402	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+Cl"	34.969402
"1284720"	461.246402	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Cl"	34.969402
"26182"	889.502606	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M-2H+K"	36.948606
"470121"	1315.779606	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M-2H+K"	36.948606
"846828"	463.225606	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-2H+K"	36.948606
"1567040"	463.225606	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+K-2H"	36.948606
"954924"	471.275194	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-H+HCOOH"	44.998194
"364392"	897.552201	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+HCOOH-H"	44.998201
"347544"	911.567851	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+Hac-H"	59.013851
"1494921"	485.290851	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Hac-H"	59.013851
"959053"	493.257151	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-H+NaCOOH"	66.980151
"110514"	461.246402	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+2Cl"	69.938804
"551043"	674.384902	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+2Cl"	69.938804
"1024101"	248.107902	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2Cl"	69.938804
"1244772"	505.195885	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Br"	78.918885
"1314873"	507.251872	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Cl+HCOOH"	80.974872
"1330911"	529.233829	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Cl+NaCOOH"	102.956829
"919052"	539.262586	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M-H+CF3COOH"	112.985586
"1293574"	575.239264	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Cl+CF3COOH"	148.962264
"1368818"	391.264324	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H-2H2O"	-35.012676
"1384492"	409.2743	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H-H2O"	-17.0027
"284173"	853.561276	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+H"	1.007276
"676103"	1279.838276	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+H"	1.007276
"1352204"	427.284276	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H"	1.007276
"133867"	427.284276	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+2H"	2.014552
"572337"	640.422776	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+2H"	2.014552
"1047699"	214.145776	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2H"	2.014552
"215601"	285.191942666667	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+3H"	3.021828
"655163"	427.284276	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+3H"	3.021828
"1171100"	143.099609333333	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+3H"	3.021828
"435466"	870.587823	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+NH4"	18.033823
"796462"	1296.864823	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+NH4"	18.033823
"1689513"	444.310823	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+NH4"	18.033823
"337792"	435.7975495	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+H+NH4"	19.041099
"725840"	648.9360495	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+H+NH4"	19.041099
"1484036"	222.6590495	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H+NH4"	19.041099
"398341"	875.543218	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+Na"	22.989218
"756058"	1301.820218	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+Na"	22.989218
"1604397"	449.266218	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Na"	22.989218
"315648"	438.275247	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+H+Na"	23.996494
"709525"	651.413747	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+H+Na"	23.996494
"1467001"	225.136747	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H+Na"	23.996494
"1054774"	150.426923333333	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2H+Na"	25.00377
"1258274"	459.310486	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+CH3OH+H"	33.033486
"379031"	891.517158	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+K"	38.963158
"745873"	1317.794158	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+K"	38.963158
"1554494"	465.240158	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+K"	38.963158
"313736"	446.262217	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+H+K"	39.970434
"700807"	659.400717	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+H+K"	39.970434
"1453533"	233.123717	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H+K"	39.970434
"241039"	894.587826	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+ACN+H"	42.033826
"1218124"	468.310826	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+ACN+H"	42.033826
"1198363"	234.659051	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+ACN+2H"	43.041102
"201444"	897.52516	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+2Na-H"	44.97116
"637723"	1323.80216	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+2Na-H"	44.97116
"1134302"	471.24816	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2Na-H"	44.97116
"185615"	449.266218	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+2Na"	45.978436
"621165"	662.404718	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+2Na"	45.978436
"1123577"	236.127718	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2Na"	45.978436
"1407831"	157.754237333333	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H+2Na"	46.985712
"1437759"	473.289746	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H+HCOOH"	47.012746
"226361"	454.29924	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+3H2O+2H"	56.04448
"1519894"	487.34179	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+IsoProp+H"	61.06479
"415205"	457.253188	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+Na+K"	61.952376
"781672"	670.391688	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+Na+K"	61.952376
"1676917"	244.114688	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Na+K"	61.952376
"264531"	916.569768	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+ACN+Na"	64.015768
"1238333"	490.292768	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+ACN+Na"	64.015768
"1727585"	490.316293	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+NH4+HCOOH"	64.039293
"1192453"	165.081551333333	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+3Na"	68.967654
"1664533"	495.271688	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Na+HCOOH"	68.994688
"172372"	929.47304	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+2K-H"	76.91904
"612415"	1355.75004	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+2K-H"	76.91904
"1092307"	503.19604	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2K-H"	76.91904
"156742"	465.240158	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"2M+2K"	77.926316
"589778"	678.378658	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"3M+2K"	77.926316
"1074289"	252.101658	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2K"	77.926316
"1111874"	505.210592	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2K+H"	78.933592
"1350206"	505.298207	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+DMSO+H"	79.021207
"1019950"	509.337376	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2ACN+H"	83.060376
"1536009"	510.331008	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+IsoProp+Na+H"	84.054008
"1001362"	255.172326	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+2ACN+2H"	84.067652
"1599146"	511.245628	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+K+HCOOH"	84.968628
"1426992"	541.277138	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+H+CF3COOH"	115.000138
"1159467"	275.685601	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+3ACN+2H"	125.094202
"1703551"	558.303685	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+NH4+CF3COOH"	132.026685
"1641389"	563.25908	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+Na+CF3COOH"	136.98208
"1579229"	579.23302	"C08581"	"Azafrin"	"C27H38O4"	"426.277"	"M+K+CF3COOH"	152.95602
"803036"	394.2144	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M"	0
"982034"	375.19601	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-H2O-H"	-19.01839
"63715"	261.802324	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M-3H"	-3.021828
"503031"	393.207124	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M-3H"	-3.021828
"880217"	130.397524	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-3H"	-3.021828
"615"	393.207124	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M-2H"	-2.014552
"439992"	590.314324	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M-2H"	-2.014552
"817195"	196.099924	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-2H"	-2.014552
"79110"	787.421524	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M-H"	-1.007276
"518652"	1181.635924	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M-H"	-1.007276
"896428"	393.207124	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-H"	-1.007276
"47183"	804.448071	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M-2H+NH4"	16.019271
"487153"	1198.662471	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M-2H+NH4"	16.019271
"864607"	410.233671	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-2H+NH4"	16.019271
"32916"	809.403466	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M-2H+Na"	20.974666
"474663"	1203.617866	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M-2H+Na"	20.974666
"850278"	415.189066	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-2H+Na"	20.974666
"1618457"	415.189066	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Na-2H"	20.974666
"95246"	411.195463	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M-H+Cl"	33.962126
"534297"	608.302663	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M-H+Cl"	33.962126
"938167"	214.088263	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-H+Cl"	33.962126
"277817"	823.398202	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+Cl"	34.969402
"669147"	1217.612602	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+Cl"	34.969402
"1280456"	429.183802	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Cl"	34.969402
"25199"	825.377406	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M-2H+K"	36.948606
"468774"	1219.591806	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M-2H+K"	36.948606
"845845"	431.163006	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-2H+K"	36.948606
"1568243"	431.163006	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+K-2H"	36.948606
"955034"	439.212594	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-H+HCOOH"	44.998194
"365596"	833.427001	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+HCOOH-H"	44.998201
"349477"	847.442651	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+Hac-H"	59.013851
"1495031"	453.228251	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Hac-H"	59.013851
"958549"	461.194551	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-H+NaCOOH"	66.980151
"111479"	429.183802	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+2Cl"	69.938804
"551032"	626.291002	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+2Cl"	69.938804
"1022023"	232.076602	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2Cl"	69.938804
"1244882"	473.133285	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Br"	78.918885
"1311703"	475.189272	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Cl+HCOOH"	80.974872
"1331385"	497.171229	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Cl+NaCOOH"	102.956829
"919163"	507.199986	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M-H+CF3COOH"	112.985586
"1293684"	543.176664	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Cl+CF3COOH"	148.962264
"1371117"	359.201724	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H-2H2O"	-35.012676
"1384966"	377.2117	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H-H2O"	-17.0027
"284038"	789.436076	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+H"	1.007276
"676168"	1183.650476	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+H"	1.007276
"1352559"	395.221676	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H"	1.007276
"133976"	395.221676	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+2H"	2.014552
"569167"	592.328876	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+2H"	2.014552
"1047809"	198.114476	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2H"	2.014552
"210244"	263.816876	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+3H"	3.021828
"654180"	395.221676	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+3H"	3.021828
"1171210"	132.412076	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+3H"	3.021828
"435576"	806.462623	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+NH4"	18.033823
"792198"	1200.677023	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+NH4"	18.033823
"1690715"	412.248223	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+NH4"	18.033823
"342274"	403.7349495	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+H+NH4"	19.041099
"725949"	600.8421495	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+H+NH4"	19.041099
"1481959"	206.6277495	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H+NH4"	19.041099
"395170"	811.418018	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+Na"	22.989218
"754508"	1205.632418	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+Na"	22.989218
"1603090"	417.203618	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Na"	22.989218
"314500"	406.212647	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+H+Na"	23.996494
"708907"	603.319847	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+H+Na"	23.996494
"1467111"	209.105447	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H+Na"	23.996494
"1054155"	139.73939	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2H+Na"	25.00377
"1257532"	427.247886	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+CH3OH+H"	33.033486
"377155"	827.391958	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+K"	38.963158
"739176"	1221.606358	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+K"	38.963158
"1553511"	433.177558	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+K"	38.963158
"309589"	414.199617	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+H+K"	39.970434
"700917"	611.306817	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+H+K"	39.970434
"1457288"	217.092417	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H+K"	39.970434
"240056"	830.462626	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+ACN+H"	42.033826
"1218234"	436.248226	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+ACN+H"	42.033826
"1199932"	218.627751	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+ACN+2H"	43.041102
"201553"	833.39996	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+2Na-H"	44.97116
"637833"	1227.61436	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+2Na-H"	44.97116
"1136234"	439.18556	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2Na-H"	44.97116
"184632"	417.203618	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+2Na"	45.978436
"620911"	614.310818	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+2Na"	45.978436
"1123323"	220.096418	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2Na"	45.978436
"1409035"	147.066704	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H+2Na"	46.985712
"1441149"	441.227146	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H+HCOOH"	47.012746
"230845"	422.23664	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+3H2O+2H"	56.04448
"1515630"	455.27919	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+IsoProp+H"	61.06479
"413128"	425.190588	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+Na+K"	61.952376
"781782"	622.297788	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+Na+K"	61.952376
"1677028"	228.083388	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Na+K"	61.952376
"264641"	852.444568	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+ACN+Na"	64.015768
"1241245"	458.230168	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+ACN+Na"	64.015768
"1727979"	458.253693	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+NH4+HCOOH"	64.039293
"1193958"	154.394018	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+3Na"	68.967654
"1664400"	463.209088	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Na+HCOOH"	68.994688
"172653"	865.34784	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+2K-H"	76.91904
"612727"	1259.56224	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+2K-H"	76.91904
"1092417"	471.13344	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2K-H"	76.91904
"157055"	433.177558	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"2M+2K"	77.926316
"589888"	630.284758	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"3M+2K"	77.926316
"1075493"	236.070358	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2K"	77.926316
"1106516"	473.147992	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2K+H"	78.933592
"1349342"	473.235607	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+DMSO+H"	79.021207
"1019089"	477.274776	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2ACN+H"	83.060376
"1536119"	478.268408	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+IsoProp+Na+H"	84.054008
"1001472"	239.141026	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+2ACN+2H"	84.067652
"1599256"	479.183028	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+K+HCOOH"	84.968628
"1429289"	509.214538	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+H+CF3COOH"	115.000138
"1156297"	259.654301	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+3ACN+2H"	125.094202
"1703660"	526.241085	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+NH4+CF3COOH"	132.026685
"1641499"	531.19648	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+Na+CF3COOH"	136.98208
"1579339"	547.17042	"C08582"	"Bixin;Methyl (9-cis)-hydrogen-66-diapo-psipsi-carotenedioate"	"C25H30O4"	"394.2144"	"M+K+CF3COOH"	152.95602
"812986"	564.3967	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M"	0
"979958"	545.37831	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-H2O-H"	-19.01839
"72575"	375.257190666667	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M-3H"	-3.021828
"508854"	563.389424	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M-3H"	-3.021828
"880097"	187.124957333333	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-3H"	-3.021828
"1697"	563.389424	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M-2H"	-2.014552
"440028"	845.587774	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M-2H"	-2.014552
"817519"	281.191074	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-2H"	-2.014552
"78938"	1127.786124	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M-H"	-1.007276
"519093"	1692.182824	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M-H"	-1.007276
"896294"	563.389424	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-H"	-1.007276
"47620"	1144.812671	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M-2H+NH4"	16.019271
"487549"	1709.209371	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M-2H+NH4"	16.019271
"865488"	580.415971	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-2H+NH4"	16.019271
"33754"	1149.768066	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M-2H+Na"	20.974666
"475866"	1714.164766	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M-2H+Na"	20.974666
"851845"	585.371366	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-2H+Na"	20.974666
"1619173"	585.371366	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Na-2H"	20.974666
"95355"	581.377763	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M-H+Cl"	33.962126
"534329"	863.576113	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M-H+Cl"	33.962126
"933904"	299.179413	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-H+Cl"	33.962126
"272092"	1163.762802	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+Cl"	34.969402
"669257"	1728.159502	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+Cl"	34.969402
"1278380"	599.366102	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Cl"	34.969402
"19474"	1165.742006	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M-2H+K"	36.948606
"460862"	1730.138706	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M-2H+K"	36.948606
"841580"	601.345306	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-2H+K"	36.948606
"1568353"	601.345306	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+K-2H"	36.948606
"958425"	609.394894	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-H+HCOOH"	44.998194
"366800"	1173.791601	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+HCOOH-H"	44.998201
"351775"	1187.807251	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+Hac-H"	59.013851
"1495141"	623.410551	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Hac-H"	59.013851
"961587"	631.376851	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-H+NaCOOH"	66.980151
"111953"	599.366102	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+2Cl"	69.938804
"553335"	881.564452	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+2Cl"	69.938804
"1025414"	317.167752	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2Cl"	69.938804
"1243167"	643.315585	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Br"	78.918885
"1308534"	645.371572	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Cl+HCOOH"	80.974872
"1331495"	667.353529	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Cl+NaCOOH"	102.956829
"922553"	677.382286	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M-H+CF3COOH"	112.985586
"1292699"	713.358964	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Cl+CF3COOH"	148.962264
"1368308"	529.384024	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H-2H2O"	-35.012676
"1387628"	547.394	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H-H2O"	-17.0027
"283906"	1129.800676	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+H"	1.007276
"675681"	1694.197376	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+H"	1.007276
"1351387"	565.403976	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H"	1.007276
"135179"	565.403976	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+2H"	2.014552
"578021"	847.602326	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+2H"	2.014552
"1043544"	283.205626	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2H"	2.014552
"217647"	377.271742666667	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+3H"	3.021828
"656478"	565.403976	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+3H"	3.021828
"1174602"	189.139509333333	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+3H"	3.021828
"436780"	1146.827223	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+NH4"	18.033823
"791216"	1711.223923	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+NH4"	18.033823
"1689733"	582.430523	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+NH4"	18.033823
"339104"	573.9172495	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+H+NH4"	19.041099
"728248"	856.1155995	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+H+NH4"	19.041099
"1483164"	291.7188995	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H+NH4"	19.041099
"396377"	1151.782618	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+Na"	22.989218
"756280"	1716.179318	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+Na"	22.989218
"1605471"	587.385918	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Na"	22.989218
"314695"	576.394947	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+H+Na"	23.996494
"709014"	858.593297	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+H+Na"	23.996494
"1465035"	294.196597	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H+Na"	23.996494
"1054266"	196.466823333333	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2H+Na"	25.00377
"1259954"	597.430186	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+CH3OH+H"	33.033486
"377672"	1167.756558	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+K"	38.963158
"742081"	1732.153258	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+K"	38.963158
"1551434"	603.359858	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+K"	38.963158
"308607"	584.381917	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+H+K"	39.970434
"701027"	866.580267	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+H+K"	39.970434
"1456669"	302.183567	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H+K"	39.970434
"237979"	1170.827226	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+ACN+H"	42.033826
"1218344"	606.430526	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+ACN+H"	42.033826
"1202228"	303.718901	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+ACN+2H"	43.041102
"201302"	1173.76456	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+2Na-H"	44.97116
"636851"	1738.16126	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+2Na-H"	44.97116
"1137073"	609.36786	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2Na-H"	44.97116
"183649"	587.385918	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+2Na"	45.978436
"622115"	869.584268	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+2Na"	45.978436
"1125619"	305.187568	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2Na"	45.978436
"1409510"	203.794137333333	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H+2Na"	46.985712
"1441259"	611.409446	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H+HCOOH"	47.012746
"228768"	592.41894	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+3H2O+2H"	56.04448
"1515741"	625.46149	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+IsoProp+H"	61.06479
"411780"	595.372888	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+Na+K"	61.952376
"780800"	877.571238	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+Na+K"	61.952376
"1671669"	313.174538	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Na+K"	61.952376
"264751"	1192.809168	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+ACN+Na"	64.015768
"1238553"	628.412468	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+ACN+Na"	64.015768
"1728400"	628.435993	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+NH4+HCOOH"	64.039293
"1194117"	211.121451333333	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+3Na"	68.967654
"1665292"	633.391388	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Na+HCOOH"	68.994688
"172718"	1205.71244	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+2K-H"	76.91904
"612685"	1770.10914	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+2K-H"	76.91904
"1098967"	641.31574	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2K-H"	76.91904
"156394"	603.359858	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"2M+2K"	77.926316
"594373"	885.558208	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"3M+2K"	77.926316
"1081071"	321.161508	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2K"	77.926316
"1114768"	643.330292	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2K+H"	78.933592
"1348359"	643.417907	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+DMSO+H"	79.021207
"1020292"	647.457076	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2ACN+H"	83.060376
"1536229"	648.450708	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+IsoProp+Na+H"	84.054008
"1004379"	324.232176	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+2ACN+2H"	84.067652
"1602575"	649.365328	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+K+HCOOH"	84.968628
"1428674"	679.396838	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+H+CF3COOH"	115.000138
"1159688"	344.745451	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+3ACN+2H"	125.094202
"1707051"	696.423385	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+NH4+CF3COOH"	132.026685
"1641609"	701.37878	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+Na+CF3COOH"	136.98208
"1579449"	717.35272	"C08583"	"Canthaxanthin"	"C40H52O2"	"564.3967"	"M+K+CF3COOH"	152.95602
"806536"	584.4229	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M"	0
"978974"	565.40451	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-H2O-H"	-19.01839
"69405"	388.607990666667	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M-3H"	-3.021828
"507870"	583.415624	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M-3H"	-3.021828
"880927"	193.800357333333	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-3H"	-3.021828
"3146"	583.415624	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M-2H"	-2.014552
"440765"	875.627074	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M-2H"	-2.014552
"817837"	291.204174	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-2H"	-2.014552
"80870"	1167.838524	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M-H"	-1.007276
"518884"	1752.261424	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M-H"	-1.007276
"896649"	583.415624	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-H"	-1.007276
"47610"	1184.865071	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M-2H+NH4"	16.019271
"487454"	1769.287971	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M-2H+NH4"	16.019271
"865836"	600.442171	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-2H+NH4"	16.019271
"32276"	1189.820466	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M-2H+Na"	20.974666
"472693"	1774.243366	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M-2H+Na"	20.974666
"849403"	605.397566	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-2H+Na"	20.974666
"1619660"	605.397566	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Na-2H"	20.974666
"95092"	601.403963	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M-H+Cl"	33.962126
"535020"	893.615413	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M-H+Cl"	33.962126
"936200"	309.192513	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-H+Cl"	33.962126
"272202"	1203.815202	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+Cl"	34.969402
"668274"	1788.238102	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+Cl"	34.969402
"1279583"	619.392302	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Cl"	34.969402
"19948"	1205.794406	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M-2H+K"	36.948606
"462795"	1790.217306	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M-2H+K"	36.948606
"840597"	621.371506	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-2H+K"	36.948606
"1567370"	621.371506	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+K-2H"	36.948606
"956839"	629.421094	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-H+HCOOH"	44.998194
"373469"	1213.844001	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+HCOOH-H"	44.998201
"349698"	1227.859651	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+Hac-H"	59.013851
"1495250"	643.436751	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Hac-H"	59.013851
"961697"	651.403051	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-H+NaCOOH"	66.980151
"112792"	619.392302	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+2Cl"	69.938804
"553445"	911.603752	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+2Cl"	69.938804
"1033177"	327.180852	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2Cl"	69.938804
"1244010"	663.341785	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Br"	78.918885
"1315204"	665.397772	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Cl+HCOOH"	80.974872
"1331605"	687.379729	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Cl+NaCOOH"	102.956829
"923393"	697.408486	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M-H+CF3COOH"	112.985586
"1292081"	733.385164	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Cl+CF3COOH"	148.962264
"1367444"	549.410224	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H-2H2O"	-35.012676
"1385551"	567.4202	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H-H2O"	-17.0027
"283367"	1169.853076	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+H"	1.007276
"675752"	1754.275976	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+H"	1.007276
"1351443"	585.430176	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H"	1.007276
"141415"	585.430176	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+2H"	2.014552
"578132"	877.641626	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+2H"	2.014552
"1046935"	293.218726	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2H"	2.014552
"216664"	390.622542666667	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+3H"	3.021828
"655859"	585.430176	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+3H"	3.021828
"1173617"	195.814909333333	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+3H"	3.021828
"438347"	1186.879623	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+NH4"	18.033823
"792418"	1771.302523	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+NH4"	18.033823
"1694216"	602.456723	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+NH4"	18.033823
"337029"	593.9434495	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+H+NH4"	19.041099
"733825"	886.1548995	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+H+NH4"	19.041099
"1483274"	301.7319995	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H+NH4"	19.041099
"395394"	1191.835018	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+Na"	22.989218
"755539"	1776.257918	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+Na"	22.989218
"1605581"	607.412118	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Na"	22.989218
"316831"	596.421147	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+H+Na"	23.996494
"709493"	888.632597	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+H+Na"	23.996494
"1464051"	304.209697	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H+Na"	23.996494
"1054862"	203.142223333333	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2H+Na"	25.00377
"1259336"	617.456386	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+CH3OH+H"	33.033486
"378029"	1207.808958	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+K"	38.963158
"742191"	1792.231858	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+K"	38.963158
"1551544"	623.386058	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+K"	38.963158
"308717"	604.408117	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+H+K"	39.970434
"698951"	896.619567	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+H+K"	39.970434
"1453861"	312.196667	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H+K"	39.970434
"238453"	1210.879626	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+ACN+H"	42.033826
"1217361"	626.456726	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+ACN+H"	42.033826
"1201245"	313.732001	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+ACN+2H"	43.041102
"197403"	1213.81696	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+2Na-H"	44.97116
"635867"	1798.23986	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+2Na-H"	44.97116
"1135361"	629.39406	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2Na-H"	44.97116
"184852"	607.412118	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+2Na"	45.978436
"620038"	899.623568	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+2Na"	45.978436
"1119166"	315.200668	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2Na"	45.978436
"1404880"	210.469537333333	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H+2Na"	46.985712
"1434442"	631.435646	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H+HCOOH"	47.012746
"225597"	612.44514	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+3H2O+2H"	56.04448
"1515851"	645.48769	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+H"	61.06479
"410796"	615.399088	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+Na+K"	61.952376
"779089"	907.610538	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+Na+K"	61.952376
"1671779"	323.187638	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Na+K"	61.952376
"264861"	1232.861568	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+ACN+Na"	64.015768
"1237570"	648.438668	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+ACN+Na"	64.015768
"1727795"	648.462193	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+NH4+HCOOH"	64.039293
"1193881"	217.796851333333	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+3Na"	68.967654
"1665114"	653.417588	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Na+HCOOH"	68.994688
"172582"	1245.76484	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+2K-H"	76.91904
"612782"	1830.18774	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+2K-H"	76.91904
"1097621"	661.34194	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2K-H"	76.91904
"156666"	623.386058	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"2M+2K"	77.926316
"595334"	915.597508	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"3M+2K"	77.926316
"1078994"	331.174608	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2K"	77.926316
"1113785"	663.356492	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2K+H"	78.933592
"1345309"	663.444107	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+DMSO+H"	79.021207
"1018213"	667.483276	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2ACN+H"	83.060376
"1536339"	668.476908	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+Na+H"	84.054008
"1004977"	334.245276	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+2ACN+2H"	84.067652
"1601665"	669.391528	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+K+HCOOH"	84.968628
"1426231"	699.423038	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+H+CF3COOH"	115.000138
"1157611"	354.758551	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+3ACN+2H"	125.094202
"1708255"	716.449585	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+NH4+CF3COOH"	132.026685
"1641719"	721.40498	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+Na+CF3COOH"	136.98208
"1579559"	737.37892	"C08584"	"Capsanthin"	"C40H56O3"	"584.4229"	"M+K+CF3COOH"	152.95602
"809926"	600.4179	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M"	0
"980177"	581.39951	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"72795"	399.271324	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"509073"	599.410624	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"880673"	199.132024	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"581"	599.410624	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"440877"	899.619574	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"818070"	299.201674	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"80615"	1199.828524	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"519198"	1800.246424	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"896396"	599.410624	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"47234"	1216.855071	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"487168"	1817.272971	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"867286"	616.437171	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"35796"	1221.810466	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"473168"	1822.228366	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"850605"	621.392566	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1619405"	621.392566	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"95328"	617.398963	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"534685"	917.607913	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"936310"	317.190013	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"273773"	1235.805202	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"667291"	1836.223102	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1278600"	635.387302	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"20426"	1237.784406	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"466186"	1838.202306	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"840707"	637.366506	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1565294"	637.366506	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"956457"	645.416094	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"375767"	1245.834001	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"350902"	1259.849651	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1499734"	659.431751	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"966181"	667.398051	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"112172"	635.387302	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"554649"	935.596252	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1033288"	335.178352	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1247400"	679.336785	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1309848"	681.392772	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1329529"	703.374729	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"919493"	713.403486	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1290734"	749.380164	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1367552"	565.405224	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1385661"	583.4152	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"282902"	1201.843076	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"675741"	1802.260976	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1351551"	601.425176	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"133211"	601.425176	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"578242"	901.634126	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1052632"	301.216226	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"213852"	401.285876	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"658157"	601.425176	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1177499"	201.146576	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"436270"	1218.869623	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"797997"	1819.287523	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1689952"	618.451723	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"338233"	609.9384495	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"733935"	910.1473995	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1483384"	309.7294995	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"399877"	1223.825018	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"756866"	1824.242918	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1604599"	623.407118	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"316820"	612.416147	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"710332"	912.625097	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1466348"	312.207197	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1055217"	208.47389	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1260173"	633.451386	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"377651"	1239.798958	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"746312"	1840.216858	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1551654"	639.381058	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"308830"	620.403117	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"703069"	920.612067	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1452878"	320.194167	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"242574"	1242.869626	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1220751"	642.451726	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1205729"	321.729501	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"197510"	1245.80696	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"635248"	1846.22486	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1137293"	645.38906	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"186420"	623.407118	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"621242"	923.616068	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1124746"	323.198168	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1408270"	215.801204	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1436374"	647.430646	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"224613"	628.44014	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1514870"	661.48269	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"414553"	631.394088	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"776649"	931.603038	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1671889"	331.185138	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"266068"	1264.851568	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1237316"	664.433668	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1726934"	664.457193	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1193631"	223.128518	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1664861"	669.412588	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"171474"	1277.75484	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"611889"	1878.17274	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1099440"	677.33694	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"156979"	639.381058	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"596179"	939.590008	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1083244"	339.172108	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1114260"	679.351492	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1348700"	679.439107	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1019417"	683.478276	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1537545"	684.471908	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"1004602"	342.242776	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1602265"	685.386528	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1428529"	715.418038	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1161003"	362.756051	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1707272"	732.444585	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1642922"	737.39998	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1579669"	753.37392	"C08585"	"Capsorubin"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"808943"	536.4382	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M"	0
"979194"	517.41981	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"64155"	356.618190666667	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"502919"	535.430924	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"880061"	177.805457333333	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"1180"	535.430924	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"441839"	803.650024	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"818545"	267.211824	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"81088"	1071.869124	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"519186"	1608.307324	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"896385"	535.430924	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"47248"	1088.895671	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"487761"	1625.333871	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"870920"	552.457471	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"35177"	1093.851066	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"473278"	1630.289266	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"852171"	557.412866	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1618622"	557.412866	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"94669"	553.419263	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"534595"	821.638363	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"935327"	285.200163	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"273883"	1107.845802	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"667401"	1644.284002	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1276887"	571.407602	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"20172"	1109.825006	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"470670"	1646.263206	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"840817"	573.386806	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1567591"	573.386806	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"957987"	581.436394	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"375759"	1117.874601	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"352106"	1131.890251	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1499844"	595.452051	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"966291"	603.418351	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"115199"	571.407602	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"563506"	839.626702	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1035464"	303.188502	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1249697"	615.357085	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1313238"	617.413072	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1330733"	639.395029	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"914502"	649.423786	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1295219"	685.400464	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1367913"	501.425524	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1387594"	519.4355	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"283996"	1073.883676	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"675884"	1610.321876	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1351499"	537.445476	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H"	1.007276
"133321"	537.445476	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"579445"	805.664576	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1050432"	269.226376	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"213962"	358.632742666667	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"656810"	537.445476	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1177611"	179.820009333333	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"436013"	1090.910223	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"799202"	1627.348423	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1695288"	554.472023	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"340530"	545.9587495	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"734045"	814.1778495	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1484588"	277.7396495	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"399986"	1095.865618	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"759163"	1632.303818	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1604708"	559.427418	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"315959"	548.436447	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"710442"	816.655547	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1465362"	280.217347	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1055327"	187.147323333333	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1257730"	569.471686	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"379951"	1111.839558	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"747515"	1648.277758	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1549577"	575.401358	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+K"	38.963158
"311126"	556.423417	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"706460"	824.642517	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1455175"	288.204317	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"244871"	1114.910226	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1220862"	578.472026	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1207905"	289.739651	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"195797"	1117.84756	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"637179"	1654.28576	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1139590"	581.40936	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"185072"	559.427418	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"622445"	827.646518	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1124856"	291.208318	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1406193"	194.474637333333	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1436120"	583.450946	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"224356"	564.46044	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1513147"	597.50299	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"417944"	567.414388	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"778944"	835.633488	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1670905"	299.195288	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"262533"	1136.892168	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1233415"	600.453968	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1723763"	600.477493	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1189480"	201.801951333333	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1665049"	605.432888	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"172315"	1149.79544	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"611631"	1686.23364	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1099306"	613.35724	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"157015"	575.401358	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"596612"	843.620458	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1083714"	307.182258	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1112425"	615.371792	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1346623"	615.459407	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1019527"	619.498576	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1537656"	620.492208	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"1005327"	310.252926	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1602664"	621.406828	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1429004"	651.438338	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1160749"	330.766201	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1707382"	668.464885	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1643032"	673.42028	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1579779"	689.39422	"C08586"	"delta-Carotene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"809053"	552.4331	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M"	0
"979304"	533.41471	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"65358"	367.281457333333	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"503056"	551.425824	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"880235"	183.137090666667	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"186"	551.425824	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"441221"	827.642374	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"819019"	275.209274	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"80469"	1103.858924	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"518931"	1656.292024	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"896738"	551.425824	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"47336"	1120.885471	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"488114"	1673.318571	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"869937"	568.452371	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"35287"	1125.840866	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"473510"	1678.273966	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"851917"	573.407766	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1619628"	573.407766	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"94697"	569.414163	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"534665"	845.630713	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"936530"	293.197613	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"273993"	1139.835602	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"665324"	1692.268702	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1277726"	587.402502	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"18095"	1141.814806	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"469686"	1694.247906	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"843114"	589.381706	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1566608"	589.381706	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"956678"	597.431294	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"373798"	1149.864401	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"352216"	1163.880051	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1499954"	611.446951	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"966401"	619.413251	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"117495"	587.402502	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"559242"	863.619052	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1032416"	311.185952	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1248714"	631.351985	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1306422"	633.407972	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1326470"	655.389929	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"912424"	665.418686	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1289497"	701.395364	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1368388"	517.420424	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1383328"	535.4304	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"283015"	1105.873476	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"676648"	1658.306576	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1352507"	553.440376	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H"	1.007276
"133431"	553.440376	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"579555"	829.656926	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1051392"	277.223826	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"214072"	369.296009333333	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"657284"	553.440376	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1176264"	185.151642666667	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"436853"	1122.900023	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"797852"	1675.333123	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1695155"	570.466923	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"343556"	561.9536495	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"735249"	838.1701995	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1486885"	285.7370995	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"401190"	1127.855418	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"757086"	1680.288518	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1604818"	575.422318	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"317040"	564.431347	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"707395"	840.647897	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1463406"	288.214797	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1054344"	192.478956666667	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1257146"	585.466586	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"379089"	1143.829358	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"748718"	1696.262458	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1546404"	591.396258	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+K"	38.963158
"310870"	572.418317	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"704383"	848.634867	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1453099"	296.201767	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"244981"	1146.900026	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1220971"	594.466926	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1204856"	297.737101	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"196636"	1149.83736	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"634373"	1702.27046	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1134597"	597.40426	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"182630"	575.422318	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"617087"	851.638868	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1120592"	299.205768	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1404115"	199.806270666667	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1434042"	599.445846	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"221913"	580.45534	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1513621"	613.49789	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"418049"	583.409288	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"779054"	859.625838	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1669922"	307.192738	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"260818"	1168.881968	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1233525"	616.448868	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1723505"	616.472393	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1193729"	207.133584666667	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1665324"	621.427788	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"170721"	1181.78524	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"612064"	1734.21834	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1099416"	629.35214	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"156227"	591.396258	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"595909"	867.612808	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1083907"	315.179708	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1112535"	631.366692	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1346733"	631.454307	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1020937"	635.493476	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1537766"	636.487108	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1005186"	318.250376	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1602245"	637.401728	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1428750"	667.433238	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1162604"	338.763651	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1707492"	684.459785	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1645329"	689.41518	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1579889"	705.38912	"C08587"	"beta-Carotene 56-epoxide;56-Epoxy-betabeta-carotene"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"815362"	328.1675	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M"	0
"983788"	309.14911	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-H2O-H"	-19.01839
"73126"	217.771057333333	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M-3H"	-3.021828
"512684"	327.160224	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M-3H"	-3.021828
"887204"	108.381890666667	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-3H"	-3.021828
"3589"	327.160224	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M-2H"	-2.014552
"443154"	491.243974	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M-2H"	-2.014552
"820954"	163.076474	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-2H"	-2.014552
"81309"	655.327724	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M-H"	-1.007276
"519165"	983.495224	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M-H"	-1.007276
"896969"	327.160224	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-H"	-1.007276
"47697"	672.354271	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M-2H+NH4"	16.019271
"487413"	1000.521771	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M-2H+NH4"	16.019271
"864605"	344.186771	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-2H+NH4"	16.019271
"32347"	677.309666	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M-2H+Na"	20.974666
"471743"	1005.477166	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M-2H+Na"	20.974666
"848781"	349.142166	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-2H+Na"	20.974666
"1625939"	349.142166	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Na-2H"	20.974666
"102469"	345.148563	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M-H+Cl"	33.962126
"540206"	509.232313	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M-H+Cl"	33.962126
"936642"	181.064813	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-H+Cl"	33.962126
"280543"	691.304402	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+Cl"	34.969402
"673699"	1019.471902	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+Cl"	34.969402
"1284399"	363.136902	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Cl"	34.969402
"21486"	693.283606	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M-2H+K"	36.948606
"469437"	1021.451106	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M-2H+K"	36.948606
"845412"	365.116106	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-2H+K"	36.948606
"1568541"	365.116106	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+K-2H"	36.948606
"956788"	373.165694	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-H+HCOOH"	44.998194
"375734"	701.333201	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+HCOOH-H"	44.998201
"359980"	715.348851	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+Hac-H"	59.013851
"1504438"	387.181351	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Hac-H"	59.013851
"972711"	395.147651	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-H+NaCOOH"	66.980151
"125260"	363.136902	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+2Cl"	69.938804
"565114"	527.220652	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+2Cl"	69.938804
"1036303"	199.053152	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2Cl"	69.938804
"1254292"	407.086385	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Br"	78.918885
"1315645"	409.142372	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Cl+HCOOH"	80.974872
"1330953"	431.124329	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Cl+NaCOOH"	102.956829
"923105"	441.153086	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M-H+CF3COOH"	112.985586
"1300906"	477.129764	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Cl+CF3COOH"	148.962264
"1369228"	293.154824	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H-2H2O"	-35.012676
"1387816"	311.1648	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H-H2O"	-17.0027
"288594"	657.342276	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+H"	1.007276
"678098"	985.509776	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+H"	1.007276
"1354079"	329.174776	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H"	1.007276
"137916"	329.174776	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+2H"	2.014552
"581346"	493.258526	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+2H"	2.014552
"1052365"	165.091026	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2H"	2.014552
"219169"	219.785609333333	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+3H"	3.021828
"659219"	329.174776	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+3H"	3.021828
"1177592"	110.396442666667	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+3H"	3.021828
"438310"	674.368823	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+NH4"	18.033823
"799058"	1002.536323	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+NH4"	18.033823
"1696362"	346.201323	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+NH4"	18.033823
"339657"	337.6880495	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+H+NH4"	19.041099
"736453"	501.7717995	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+H+NH4"	19.041099
"1490277"	173.6042995	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H+NH4"	19.041099
"404217"	679.324218	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+Na"	22.989218
"759022"	1007.491718	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+Na"	22.989218
"1604931"	351.156718	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Na"	22.989218
"316060"	340.165747	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+H+Na"	23.996494
"709574"	504.249497	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+H+Na"	23.996494
"1468866"	176.081997	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H+Na"	23.996494
"1058830"	117.723756666667	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2H+Na"	25.00377
"1257955"	361.200986	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+CH3OH+H"	33.033486
"377337"	695.298158	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+K"	38.963158
"747735"	1023.465658	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+K"	38.963158
"1546514"	367.130658	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+K"	38.963158
"306970"	348.152717	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+H+K"	39.970434
"701213"	512.236467	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+H+K"	39.970434
"1452115"	184.068967	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H+K"	39.970434
"240717"	698.368826	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+ACN+H"	42.033826
"1219990"	370.201326	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+ACN+H"	42.033826
"1201685"	185.604301	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+ACN+2H"	43.041102
"196748"	701.30616	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+2Na-H"	44.97116
"636307"	1029.47366	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+2Na-H"	44.97116
"1139809"	373.13866	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2Na-H"	44.97116
"184928"	351.156718	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+2Na"	45.978436
"621571"	515.240468	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+2Na"	45.978436
"1128357"	187.072968	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2Na"	45.978436
"1408602"	125.051070666667	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H+2Na"	46.985712
"1438530"	375.180246	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H+HCOOH"	47.012746
"228223"	356.18974	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+3H2O+2H"	56.04448
"1516284"	389.23229	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+IsoProp+H"	61.06479
"418160"	359.143688	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+Na+K"	61.952376
"780250"	523.227438	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+Na+K"	61.952376
"1676594"	195.059938	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Na+K"	61.952376
"263119"	720.350768	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+ACN+Na"	64.015768
"1236190"	392.183268	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+ACN+Na"	64.015768
"1723983"	392.206793	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+NH4+HCOOH"	64.039293
"1191526"	132.378384666667	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+3Na"	68.967654
"1662149"	397.162188	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Na+HCOOH"	68.994688
"169011"	733.25404	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+2K-H"	76.91904
"608571"	1061.42154	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+2K-H"	76.91904
"1099522"	405.08654	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2K-H"	76.91904
"152086"	367.130658	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"2M+2K"	77.926316
"596021"	531.214408	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"3M+2K"	77.926316
"1080529"	203.046908	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2K"	77.926316
"1111553"	407.101092	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2K+H"	78.933592
"1345750"	407.188707	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+DMSO+H"	79.021207
"1016467"	411.227876	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2ACN+H"	83.060376
"1533502"	412.221508	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+IsoProp+Na+H"	84.054008
"1004324"	206.117576	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+2ACN+2H"	84.067652
"1601014"	413.136128	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+K+HCOOH"	84.968628
"1425579"	443.167638	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+H+CF3COOH"	115.000138
"1161335"	226.630851	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+3ACN+2H"	125.094202
"1705415"	460.194185	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+NH4+CF3COOH"	132.026685
"1645439"	465.14958	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+Na+CF3COOH"	136.98208
"1579999"	481.12352	"C08588"	"Crocetin;88-Diapocarotene-88-dioic acid"	"C20H24O4"	"328.1675"	"M+K+CF3COOH"	152.95602
"810364"	976.3788	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M"	0
"977337"	957.36041	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-H2O-H"	-19.01839
"64970"	649.911924	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M-3H"	-3.021828
"503313"	975.371524	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M-3H"	-3.021828
"880036"	324.452324	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-3H"	-3.021828
"646"	975.371524	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M-2H"	-2.014552
"443264"	1463.560924	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M-2H"	-2.014552
"821064"	487.182124	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-2H"	-2.014552
"82512"	1951.750324	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M-H"	-1.007276
"519030"	2928.129124	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M-H"	-1.007276
"897321"	975.371524	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-H"	-1.007276
"48050"	1968.776871	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M-2H+NH4"	16.019271
"487756"	2945.155671	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M-2H+NH4"	16.019271
"864668"	992.398071	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-2H+NH4"	16.019271
"32326"	1973.732266	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M-2H+Na"	20.974666
"472130"	2950.111066	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M-2H+Na"	20.974666
"849457"	997.353466	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-2H+Na"	20.974666
"1624227"	997.353466	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Na-2H"	20.974666
"102579"	993.359863	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M-H+Cl"	33.962126
"539587"	1481.549263	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M-H+Cl"	33.962126
"928726"	505.170463	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-H+Cl"	33.962126
"276401"	1987.727002	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+Cl"	34.969402
"674293"	2964.105802	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+Cl"	34.969402
"1287789"	1011.348202	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Cl"	34.969402
"27064"	1989.706206	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M-2H+K"	36.948606
"467722"	2966.085006	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M-2H+K"	36.948606
"843335"	1013.327406	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-2H+K"	36.948606
"1569015"	1013.327406	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+K-2H"	36.948606
"956175"	1021.376994	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-H+HCOOH"	44.998194
"375483"	1997.755801	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+HCOOH-H"	44.998201
"360090"	2011.771451	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+Hac-H"	59.013851
"1507103"	1035.392651	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Hac-H"	59.013851
"972818"	1043.358951	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-H+NaCOOH"	66.980151
"120997"	1011.348202	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+2Cl"	69.938804
"564930"	1499.537602	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+2Cl"	69.938804
"1034823"	523.158802	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2Cl"	69.938804
"1256588"	1055.297685	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Br"	78.918885
"1317579"	1057.353672	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Cl+HCOOH"	80.974872
"1333979"	1079.335629	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Cl+NaCOOH"	102.956829
"919935"	1089.364386	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M-H+CF3COOH"	112.985586
"1295549"	1125.341064	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Cl+CF3COOH"	148.962264
"1371524"	941.366124	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H-2H2O"	-35.012676
"1391205"	959.3761	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H-H2O"	-17.0027
"285424"	1953.764876	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+H"	1.007276
"676745"	2930.143676	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+H"	1.007276
"1351996"	977.386076	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H"	1.007276
"138025"	977.386076	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+2H"	2.014552
"580627"	1465.575476	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+2H"	2.014552
"1052686"	489.196676	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2H"	2.014552
"217572"	651.926476	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+3H"	3.021828
"654945"	977.386076	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+3H"	3.021828
"1178294"	326.466876	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+3H"	3.021828
"439636"	1970.791423	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+NH4"	18.033823
"800625"	2947.170223	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+NH4"	18.033823
"1696675"	994.412623	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+NH4"	18.033823
"345548"	985.8993495	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+H+NH4"	19.041099
"737292"	1474.0887495	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+H+NH4"	19.041099
"1490753"	497.7099495	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H+NH4"	19.041099
"406879"	1975.746818	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+Na"	22.989218
"761316"	2952.125618	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+Na"	22.989218
"1605404"	999.368018	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Na"	22.989218
"318358"	988.377047	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+H+Na"	23.996494
"710778"	1476.566447	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+H+Na"	23.996494
"1470069"	500.187647	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H+Na"	23.996494
"1057117"	333.79419	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2H+Na"	25.00377
"1260982"	1009.412286	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+CH3OH+H"	33.033486
"378463"	1991.720758	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+K"	38.963158
"749668"	2968.099558	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+K"	38.963158
"1547718"	1015.341958	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+K"	38.963158
"308172"	996.364017	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+H+K"	39.970434
"701688"	1484.553417	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+H+K"	39.970434
"1454412"	508.174617	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H+K"	39.970434
"239733"	1994.791426	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+ACN+H"	42.033826
"1220100"	1018.412626	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+ACN+H"	42.033826
"1201794"	509.709951	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+ACN+2H"	43.041102
"197953"	1997.72876	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+2Na-H"	44.97116
"638602"	2974.10756	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+2Na-H"	44.97116
"1139919"	1021.34996	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2Na-H"	44.97116
"184310"	999.368018	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+2Na"	45.978436
"625691"	1487.557418	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+2Na"	45.978436
"1129560"	511.178618	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2Na"	45.978436
"1409805"	341.121504	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H+2Na"	46.985712
"1440826"	1023.391546	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H+HCOOH"	47.012746
"226146"	1004.40104	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+3H2O+2H"	56.04448
"1513114"	1037.44359	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+IsoProp+H"	61.06479
"418270"	1007.354988	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+Na+K"	61.952376
"780360"	1495.544388	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+Na+K"	61.952376
"1677433"	519.165588	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Na+K"	61.952376
"265052"	2016.773368	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+ACN+Na"	64.015768
"1237393"	1040.394568	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+ACN+Na"	64.015768
"1725551"	1040.418093	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+NH4+HCOOH"	64.039293
"1192122"	348.448818	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+3Na"	68.967654
"1664203"	1045.373488	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Na+HCOOH"	68.994688
"171916"	2029.67664	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+2K-H"	76.91904
"611598"	3006.05544	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+2K-H"	76.91904
"1099679"	1053.29784	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2K-H"	76.91904
"156573"	1015.341958	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"2M+2K"	77.926316
"596254"	1503.531358	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"3M+2K"	77.926316
"1082825"	527.152558	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2K"	77.926316
"1112756"	1055.312392	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2K+H"	78.933592
"1342579"	1055.400007	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+DMSO+H"	79.021207
"1018763"	1059.439176	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2ACN+H"	83.060376
"1537865"	1060.432808	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+IsoProp+Na+H"	84.054008
"1004921"	530.223226	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+2ACN+2H"	84.067652
"1601124"	1061.347428	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+K+HCOOH"	84.968628
"1427874"	1091.378938	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+H+CF3COOH"	115.000138
"1162174"	550.736501	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+3ACN+2H"	125.094202
"1705525"	1108.405485	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+NH4+CF3COOH"	132.026685
"1645549"	1113.36088	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+Na+CF3COOH"	136.98208
"1580109"	1129.33482	"C08589"	"Crocin"	"C44H64O24"	"976.3788"	"M+K+CF3COOH"	152.95602
"810474"	552.4331	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M"	0
"978540"	533.41471	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"65323"	367.281457333333	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"503786"	551.425824	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"880608"	183.137090666667	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"476"	551.425824	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"444467"	827.642374	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"820080"	275.209274	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"81164"	1103.858924	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"519381"	1656.292024	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"897068"	551.425824	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"47788"	1120.885471	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"487470"	1673.318571	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"864392"	568.452371	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"31443"	1125.840866	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"471760"	1678.273966	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"849447"	573.407766	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1621055"	573.407766	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"100500"	569.414163	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"540425"	845.630713	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"931388"	293.197613	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"274324"	1139.835602	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"670028"	1692.268702	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1284618"	587.402502	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"21706"	1141.814806	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"471113"	1694.247906	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"845632"	589.381706	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1570343"	589.381706	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"956892"	597.431294	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"376977"	1149.864401	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"361015"	1163.880051	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1507581"	611.446951	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"973826"	619.413251	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"121107"	587.402502	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"565164"	863.619052	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1037057"	311.185952	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1255605"	631.351985	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1318052"	633.407972	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1334453"	655.389929	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"920045"	665.418686	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1295659"	701.395364	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1368354"	517.420424	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1391315"	535.4304	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"284802"	1105.873476	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"677584"	1658.306576	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1352108"	553.440376	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H"	1.007276
"139228"	553.440376	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"581024"	829.656926	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1052253"	277.223826	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"217682"	369.296009333333	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"655055"	553.440376	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1178457"	185.151642666667	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"438894"	1122.900023	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"800374"	1675.333123	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1696583"	570.466923	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"344982"	561.9536495	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"735580"	838.1701995	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1492656"	285.7370995	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"408368"	1127.855418	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"761426"	1680.288518	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1608430"	575.422318	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"320655"	564.431347	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"708822"	840.647897	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1465076"	288.214797	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1057227"	192.478956666667	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1261092"	585.466586	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"377718"	1143.829358	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"748684"	1696.262458	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1548921"	591.396258	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K"	38.963158
"306095"	572.418317	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"699609"	848.634867	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1455616"	296.201767	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"239843"	1146.900026	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1220208"	594.466926	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1202997"	297.737101	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"203040"	1149.83736	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"639805"	1702.27046	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1140029"	597.40426	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"187334"	575.422318	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"626165"	851.638868	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1129914"	299.205768	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1409913"	199.806270666667	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1434375"	599.445846	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"227349"	580.45534	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1516504"	613.49789	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"421660"	583.409288	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"780467"	859.625838	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1676814"	307.192738	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"262244"	1168.881968	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1238231"	616.448868	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1723838"	616.472393	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1189192"	207.133584666667	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1662366"	621.427788	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"165949"	1181.78524	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"607696"	1734.21834	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1095488"	629.35214	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"151211"	591.396258	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"592959"	867.612808	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1081842"	315.179708	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1111772"	631.366692	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1344875"	631.454307	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1018873"	635.493476	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1537975"	636.487108	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1002356"	318.250376	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1601232"	637.401728	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1427984"	667.433238	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1159368"	338.763651	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1702355"	684.459785	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1642379"	689.41518	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1580219"	705.38912	"C08590"	"Zeinoxanthin;3-Hydroxy-alpha-carotene;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"810584"	552.4331	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M"	0
"980836"	533.41471	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"66892"	367.281457333333	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"504259"	551.425824	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"880723"	183.137090666667	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"1850"	551.425824	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"442389"	827.642374	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"819093"	275.209274	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"80179"	1103.858924	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"519131"	1656.292024	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"895796"	551.425824	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"47225"	1120.885471	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"487214"	1673.318571	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"865754"	568.452371	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"31615"	1125.840866	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"471485"	1678.273966	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"848950"	573.407766	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1626270"	573.407766	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"102799"	569.414163	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"540171"	845.630713	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"929312"	293.197613	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"277714"	1139.835602	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"675328"	1692.268702	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1284728"	587.402502	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"22909"	1141.814806	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"470779"	1694.247906	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"847928"	589.381706	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1571146"	589.381706	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"958458"	597.431294	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"377052"	1149.864401	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"361306"	1163.880051	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1508434"	611.446951	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"974169"	619.413251	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"125191"	587.402502	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"565601"	863.619052	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1037002"	311.185952	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1255717"	631.351985	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1317071"	633.407972	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1332377"	655.389929	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"925623"	665.418686	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1299049"	701.395364	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1375024"	517.420424	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1391425"	535.4304	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"285641"	1105.873476	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"677332"	1658.306576	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1351527"	553.440376	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H"	1.007276
"136057"	553.440376	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"581315"	829.656926	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1052078"	277.223826	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"217792"	369.296009333333	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"659268"	553.440376	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1178286"	185.151642666667	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"439574"	1122.900023	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"800811"	1675.333123	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1696451"	570.466923	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"345648"	561.9536495	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"737879"	838.1701995	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1491703"	285.7370995	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"407714"	1127.855418	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"761535"	1680.288518	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1608540"	575.422318	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"318578"	564.431347	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"710996"	840.647897	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1467009"	288.214797	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1057701"	192.478956666667	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1258771"	585.466586	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"378071"	1143.829358	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"748066"	1696.262458	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1551218"	591.396258	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+K"	38.963158
"309485"	572.418317	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"702999"	848.634867	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1454630"	296.201767	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"239953"	1146.900026	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1221411"	594.466926	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1204201"	297.737101	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"199259"	1149.83736	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"642102"	1702.27046	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1143419"	597.40426	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"185621"	575.422318	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"624088"	851.638868	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1124311"	299.205768	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1408930"	199.806270666667	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1433392"	599.445846	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"228553"	580.45534	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1516614"	613.49789	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"420677"	583.409288	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"779484"	859.625838	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1678017"	307.192738	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"262350"	1168.881968	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1237616"	616.448868	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1723948"	616.472393	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1190761"	207.133584666667	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1663450"	621.427788	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"166059"	1181.78524	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"609628"	1734.21834	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1097665"	629.35214	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"152416"	591.396258	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"595744"	867.612808	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1083658"	315.179708	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1112975"	631.366692	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1348266"	631.454307	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1019958"	635.493476	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1533832"	636.487108	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1004046"	318.250376	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1601587"	637.401728	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1427731"	667.433238	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1162394"	338.763651	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1710120"	684.459785	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1640303"	689.41518	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1580329"	705.38912	"C08591"	"beta-Cryptoxanthin"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"807414"	550.4175	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M"	0
"974209"	531.39911	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-H2O-H"	-19.01839
"64815"	365.937724	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M-3H"	-3.021828
"502837"	549.410224	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M-3H"	-3.021828
"879975"	182.465224	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-3H"	-3.021828
"55"	549.410224	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M-2H"	-2.014552
"441407"	824.618974	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M-2H"	-2.014552
"818475"	274.201474	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-2H"	-2.014552
"79926"	1099.827724	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M-H"	-1.007276
"518590"	1650.245224	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M-H"	-1.007276
"895658"	549.410224	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-H"	-1.007276
"47208"	1116.854271	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M-2H+NH4"	16.019271
"487364"	1667.271771	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M-2H+NH4"	16.019271
"864312"	566.436771	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-2H+NH4"	16.019271
"31473"	1121.809666	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M-2H+Na"	20.974666
"472478"	1672.227166	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M-2H+Na"	20.974666
"848541"	571.392166	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-2H+Na"	20.974666
"1621276"	571.392166	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Na-2H"	20.974666
"94478"	567.398563	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M-H+Cl"	33.962126
"539187"	842.607313	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M-H+Cl"	33.962126
"930515"	292.189813	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-H+Cl"	33.962126
"270532"	1135.804402	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+Cl"	34.969402
"660397"	1686.221902	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+Cl"	34.969402
"1284838"	585.386902	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Cl"	34.969402
"21925"	1137.783606	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M-2H+K"	36.948606
"466956"	1688.201106	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M-2H+K"	36.948606
"839289"	587.366106	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-2H+K"	36.948606
"1570808"	587.366106	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+K-2H"	36.948606
"958489"	595.415694	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-H+HCOOH"	44.998194
"377109"	1145.833201	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+HCOOH-H"	44.998201
"361162"	1159.848851	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+Hac-H"	59.013851
"1507922"	609.431351	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Hac-H"	59.013851
"973762"	617.397651	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-H+NaCOOH"	66.980151
"124977"	585.386902	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+2Cl"	69.938804
"564533"	860.595652	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+2Cl"	69.938804
"1036933"	310.178152	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2Cl"	69.938804
"1256193"	629.336385	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Br"	78.918885
"1316088"	631.392372	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Cl+HCOOH"	80.974872
"1331394"	653.374329	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Cl+NaCOOH"	102.956829
"922454"	663.403086	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M-H+CF3COOH"	112.985586
"1299159"	699.379764	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Cl+CF3COOH"	148.962264
"1375134"	515.404824	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H-2H2O"	-35.012676
"1391535"	533.4148	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H-H2O"	-17.0027
"286115"	1101.842276	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+H"	1.007276
"678170"	1652.259776	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+H"	1.007276
"1351960"	551.424776	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H"	1.007276
"129607"	551.424776	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+2H"	2.014552
"580227"	826.633526	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+2H"	2.014552
"1051090"	276.216026	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2H"	2.014552
"216802"	367.952276	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+3H"	3.021828
"659863"	551.424776	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+3H"	3.021828
"1177907"	184.479776	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+3H"	3.021828
"438504"	1118.868823	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+NH4"	18.033823
"800837"	1669.286323	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+NH4"	18.033823
"1696563"	568.451323	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+NH4"	18.033823
"344472"	559.9380495	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+H+NH4"	19.041099
"731422"	835.1467995	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+H+NH4"	19.041099
"1483056"	284.7292995	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H+NH4"	19.041099
"394445"	1123.824218	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+Na"	22.989218
"766381"	1674.241718	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+Na"	22.989218
"1616912"	573.406718	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Na"	22.989218
"327432"	562.415747	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+H+Na"	23.996494
"708921"	837.624497	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+H+Na"	23.996494
"1466020"	287.206997	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H+Na"	23.996494
"1055988"	191.80709	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2H+Na"	25.00377
"1257662"	583.450986	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+CH3OH+H"	33.033486
"379516"	1139.798158	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+K"	38.963158
"748176"	1690.215658	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+K"	38.963158
"1545855"	589.380658	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+K"	38.963158
"304123"	570.402717	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+H+K"	39.970434
"694354"	845.611467	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+H+K"	39.970434
"1445715"	295.193967	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H+K"	39.970434
"237141"	1142.868826	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+ACN+H"	42.033826
"1210326"	592.451326	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+ACN+H"	42.033826
"1195921"	296.729301	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+ACN+2H"	43.041102
"190979"	1145.80616	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+2Na-H"	44.97116
"638929"	1696.22366	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+2Na-H"	44.97116
"1140249"	595.38866	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2Na-H"	44.97116
"178071"	573.406718	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+2Na"	45.978436
"619815"	848.615468	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+2Na"	45.978436
"1123324"	298.197968	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2Na"	45.978436
"1404666"	199.134404	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H+2Na"	46.985712
"1433502"	597.430246	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H+HCOOH"	47.012746
"225383"	578.43974	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+3H2O+2H"	56.04448
"1515631"	611.48229	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+IsoProp+H"	61.06479
"421880"	581.393688	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+Na+K"	61.952376
"779594"	856.602438	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+Na+K"	61.952376
"1679588"	306.184938	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Na+K"	61.952376
"265741"	1164.850768	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+ACN+Na"	64.015768
"1239183"	614.433268	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+ACN+Na"	64.015768
"1726612"	614.456793	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+NH4+HCOOH"	64.039293
"1193302"	206.461718	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+3Na"	68.967654
"1665182"	619.412188	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Na+HCOOH"	68.994688
"169450"	1177.75404	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+2K-H"	76.91904
"611804"	1728.17154	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+2K-H"	76.91904
"1099359"	627.33654	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2K-H"	76.91904
"155806"	589.380658	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"2M+2K"	77.926316
"596469"	864.589408	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"3M+2K"	77.926316
"1083890"	314.171908	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2K"	77.926316
"1113085"	629.351092	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2K+H"	78.933592
"1349228"	629.438707	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+DMSO+H"	79.021207
"1019093"	633.477876	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2ACN+H"	83.060376
"1537102"	634.471508	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+IsoProp+Na+H"	84.054008
"1004401"	317.242576	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+2ACN+2H"	84.067652
"1602673"	635.386128	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+K+HCOOH"	84.968628
"1428206"	665.417638	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+H+CF3COOH"	115.000138
"1162262"	337.755851	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+3ACN+2H"	125.094202
"1709137"	682.444185	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+NH4+CF3COOH"	132.026685
"1640413"	687.39958	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+Na+CF3COOH"	136.98208
"1580439"	703.37352	"C08592"	"Echinenone"	"C40H54O"	"550.4175"	"M+K+CF3COOH"	152.95602
"807524"	566.4124	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M"	0
"974264"	547.39401	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-H2O-H"	-19.01839
"67112"	376.600990666667	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M-3H"	-3.021828
"503749"	565.405124	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M-3H"	-3.021828
"881550"	187.796857333333	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-3H"	-3.021828
"489"	565.405124	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M-2H"	-2.014552
"441517"	848.611324	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M-2H"	-2.014552
"820407"	282.198924	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-2H"	-2.014552
"78611"	1131.817524	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M-H"	-1.007276
"519957"	1698.229924	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M-H"	-1.007276
"895772"	565.405124	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-H"	-1.007276
"47514"	1148.844071	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M-2H+NH4"	16.019271
"487668"	1715.256471	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M-2H+NH4"	16.019271
"864625"	582.431671	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-2H+NH4"	16.019271
"31542"	1153.799466	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M-2H+Na"	20.974666
"474409"	1720.211866	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M-2H+Na"	20.974666
"848722"	587.387066	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-2H+Na"	20.974666
"1619560"	587.387066	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Na-2H"	20.974666
"96452"	583.393463	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M-H+Cl"	33.962126
"537471"	866.599663	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M-H+Cl"	33.962126
"930260"	300.187263	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-H+Cl"	33.962126
"270278"	1167.794202	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+Cl"	34.969402
"661236"	1734.206602	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+Cl"	34.969402
"1275097"	601.381802	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Cl"	34.969402
"18755"	1169.773406	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M-2H+K"	36.948606
"462692"	1736.185806	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M-2H+K"	36.948606
"840492"	603.361006	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-2H+K"	36.948606
"1568728"	603.361006	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+K-2H"	36.948606
"958279"	611.410594	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-H+HCOOH"	44.998194
"376169"	1177.823001	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+HCOOH-H"	44.998201
"360171"	1191.838651	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+Hac-H"	59.013851
"1507302"	625.426251	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Hac-H"	59.013851
"971437"	633.392551	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-H+NaCOOH"	66.980151
"124356"	601.381802	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+2Cl"	69.938804
"564277"	884.588002	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+2Cl"	69.938804
"1035265"	318.175602	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2Cl"	69.938804
"1254841"	645.331285	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Br"	78.918885
"1318383"	647.387272	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Cl+HCOOH"	80.974872
"1329317"	669.369229	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Cl+NaCOOH"	102.956829
"924750"	679.397986	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M-H+CF3COOH"	112.985586
"1295989"	715.374664	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Cl+CF3COOH"	148.962264
"1373057"	531.399724	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H-2H2O"	-35.012676
"1388365"	549.4097	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H-H2O"	-17.0027
"286589"	1133.832076	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+H"	1.007276
"680102"	1700.244476	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+H"	1.007276
"1351503"	567.419676	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H"	1.007276
"130810"	567.419676	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+2H"	2.014552
"576933"	850.625876	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+2H"	2.014552
"1052091"	284.213476	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2H"	2.014552
"214725"	378.615542666667	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+3H"	3.021828
"659726"	567.419676	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+3H"	3.021828
"1178019"	189.811409333333	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+3H"	3.021828
"439464"	1150.858623	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+NH4"	18.033823
"800702"	1717.271023	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+NH4"	18.033823
"1695213"	584.446223	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+NH4"	18.033823
"344704"	575.9329495	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+H+NH4"	19.041099
"731532"	859.1391495	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+H+NH4"	19.041099
"1482073"	292.7267495	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H+NH4"	19.041099
"395281"	1155.814018	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+Na"	22.989218
"760659"	1722.226418	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+Na"	22.989218
"1612037"	589.401618	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Na"	22.989218
"324260"	578.410647	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+H+Na"	23.996494
"709030"	861.616847	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+H+Na"	23.996494
"1463941"	295.204447	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H+Na"	23.996494
"1054275"	197.138723333333	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2H+Na"	25.00377
"1257768"	599.445886	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+CH3OH+H"	33.033486
"378165"	1171.787958	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+K"	38.963158
"747193"	1738.200358	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+K"	38.963158
"1545965"	605.375558	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+K"	38.963158
"305326"	586.397617	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+H+K"	39.970434
"693368"	869.603817	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+H+K"	39.970434
"1446011"	303.191417	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H+K"	39.970434
"236024"	1174.858626	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+ACN+H"	42.033826
"1210069"	608.446226	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+ACN+H"	42.033826
"1195057"	304.726751	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+ACN+2H"	43.041102
"190236"	1177.79596	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+2Na-H"	44.97116
"633572"	1744.20836	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+2Na-H"	44.97116
"1137079"	611.38356	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2Na-H"	44.97116
"174533"	589.401618	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+2Na"	45.978436
"614092"	872.607818	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+2Na"	45.978436
"1116623"	306.195418	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2Na"	45.978436
"1404776"	204.466037333333	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H+2Na"	46.985712
"1431426"	613.425146	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H+HCOOH"	47.012746
"221483"	594.43464	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+3H2O+2H"	56.04448
"1508935"	627.47719	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+IsoProp+H"	61.06479
"418710"	597.388588	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+Na+K"	61.952376
"774237"	880.594788	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+Na+K"	61.952376
"1679699"	314.182388	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Na+K"	61.952376
"265122"	1196.840568	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+ACN+Na"	64.015768
"1239294"	630.428168	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+ACN+Na"	64.015768
"1726720"	630.451693	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+NH4+HCOOH"	64.039293
"1189522"	211.793351333333	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+3Na"	68.967654
"1665171"	635.407088	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Na+HCOOH"	68.994688
"169560"	1209.74384	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+2K-H"	76.91904
"611671"	1776.15624	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+2K-H"	76.91904
"1099343"	643.33144	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2K-H"	76.91904
"153729"	605.375558	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"2M+2K"	77.926316
"594380"	888.581758	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"3M+2K"	77.926316
"1077799"	322.169358	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2K"	77.926316
"1113195"	645.345992	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2K+H"	78.933592
"1348486"	645.433607	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+DMSO+H"	79.021207
"1014829"	649.472776	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2ACN+H"	83.060376
"1537332"	650.466408	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+IsoProp+Na+H"	84.054008
"999405"	325.240026	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+2ACN+2H"	84.067652
"1599375"	651.381028	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+K+HCOOH"	84.968628
"1428680"	681.412538	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+H+CF3COOH"	115.000138
"1160791"	345.753301	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+3ACN+2H"	125.094202
"1708153"	698.439085	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+NH4+CF3COOH"	132.026685
"1640523"	703.39448	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+Na+CF3COOH"	136.98208
"1580549"	719.36842	"C08593"	"Eschscholtzxanthin"	"C40H54O2"	"566.4124"	"M+K+CF3COOH"	152.95602
"807634"	584.4229	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M"	0
"974601"	565.40451	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-H2O-H"	-19.01839
"68316"	388.607990666667	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M-3H"	-3.021828
"503616"	583.415624	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M-3H"	-3.021828
"881051"	193.800357333333	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-3H"	-3.021828
"1080"	583.415624	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M-2H"	-2.014552
"440534"	875.627074	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M-2H"	-2.014552
"820153"	291.204174	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-2H"	-2.014552
"79533"	1167.838524	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M-H"	-1.007276
"520432"	1752.261424	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M-H"	-1.007276
"897018"	583.415624	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-H"	-1.007276
"48230"	1184.865071	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M-2H+NH4"	16.019271
"487909"	1769.287971	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M-2H+NH4"	16.019271
"864496"	600.442171	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-2H+NH4"	16.019271
"33136"	1189.820466	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M-2H+Na"	20.974666
"474519"	1774.243366	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M-2H+Na"	20.974666
"849161"	605.397566	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-2H+Na"	20.974666
"1620400"	605.397566	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Na-2H"	20.974666
"95347"	601.403963	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M-H+Cl"	33.962126
"536124"	893.615413	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M-H+Cl"	33.962126
"929274"	309.192513	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-H+Cl"	33.962126
"269295"	1203.815202	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+Cl"	34.969402
"661710"	1788.238102	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+Cl"	34.969402
"1275571"	619.392302	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Cl"	34.969402
"18865"	1205.794406	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M-2H+K"	36.948606
"461709"	1790.217306	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M-2H+K"	36.948606
"843518"	621.371506	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-2H+K"	36.948606
"1570543"	621.371506	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+K-2H"	36.948606
"957945"	629.421094	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-H+HCOOH"	44.998194
"376609"	1213.844001	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+HCOOH-H"	44.998201
"359187"	1227.859651	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+Hac-H"	59.013851
"1506196"	643.436751	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Hac-H"	59.013851
"972643"	651.403051	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-H+NaCOOH"	66.980151
"124831"	619.392302	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+2Cl"	69.938804
"564632"	911.603752	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+2Cl"	69.938804
"1033918"	327.180852	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2Cl"	69.938804
"1255316"	663.341785	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Br"	78.918885
"1318982"	665.397772	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Cl+HCOOH"	80.974872
"1332707"	687.379729	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Cl+NaCOOH"	102.956829
"924496"	697.408486	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M-H+CF3COOH"	112.985586
"1293912"	733.385164	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Cl+CF3COOH"	148.962264
"1375354"	549.410224	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H-2H2O"	-35.012676
"1392848"	567.4202	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H-H2O"	-17.0027
"293626"	1169.853076	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+H"	1.007276
"682766"	1754.275976	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+H"	1.007276
"1353645"	585.430176	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H"	1.007276
"130188"	585.430176	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+2H"	2.014552
"574855"	877.641626	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+2H"	2.014552
"1050215"	293.218726	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2H"	2.014552
"214835"	390.622542666667	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+3H"	3.021828
"659720"	585.430176	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+3H"	3.021828
"1178007"	195.814909333333	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+3H"	3.021828
"438722"	1186.879623	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+NH4"	18.033823
"800893"	1771.302523	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+NH4"	18.033823
"1695566"	602.456723	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+NH4"	18.033823
"345179"	593.9434495	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+H+NH4"	19.041099
"730549"	886.1548995	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+H+NH4"	19.041099
"1483276"	301.7319995	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H+NH4"	19.041099
"397578"	1191.835018	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+Na"	22.989218
"758583"	1776.257918	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+Na"	22.989218
"1612147"	607.412118	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Na"	22.989218
"324370"	596.421147	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+H+Na"	23.996494
"707352"	888.632597	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+H+Na"	23.996494
"1462834"	304.209697	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H+Na"	23.996494
"1054380"	203.142223333333	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2H+Na"	25.00377
"1258243"	617.456386	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+CH3OH+H"	33.033486
"378273"	1207.808958	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+K"	38.963158
"744022"	1792.231858	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+K"	38.963158
"1546075"	623.386058	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+K"	38.963158
"303978"	604.408117	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+H+K"	39.970434
"692386"	896.619567	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+H+K"	39.970434
"1445660"	312.196667	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H+K"	39.970434
"236625"	1210.879626	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+ACN+H"	42.033826
"1211030"	626.456726	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+ACN+H"	42.033826
"1195163"	313.732001	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+ACN+2H"	43.041102
"190463"	1213.81696	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+2Na-H"	44.97116
"634410"	1798.23986	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+2Na-H"	44.97116
"1137189"	629.39406	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2Na-H"	44.97116
"176467"	607.412118	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+2Na"	45.978436
"620765"	899.623568	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+2Na"	45.978436
"1117343"	315.200668	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2Na"	45.978436
"1401968"	210.469537333333	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H+2Na"	46.985712
"1430237"	631.435646	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H+HCOOH"	47.012746
"221230"	612.44514	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+3H2O+2H"	56.04448
"1510137"	645.48769	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+H"	61.06479
"411165"	615.399088	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+Na+K"	61.952376
"771912"	907.610538	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+Na+K"	61.952376
"1679440"	323.187638	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Na+K"	61.952376
"264139"	1232.861568	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+ACN+Na"	64.015768
"1239768"	648.438668	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+ACN+Na"	64.015768
"1726466"	648.462193	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+NH4+HCOOH"	64.039293
"1191090"	217.796851333333	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+3Na"	68.967654
"1664874"	653.417588	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Na+HCOOH"	68.994688
"169669"	1245.76484	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+2K-H"	76.91904
"611295"	1830.18774	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+2K-H"	76.91904
"1097752"	661.34194	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2K-H"	76.91904
"154568"	623.386058	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"2M+2K"	77.926316
"594490"	915.597508	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"3M+2K"	77.926316
"1082282"	331.174608	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2K"	77.926316
"1112212"	663.356492	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2K+H"	78.933592
"1348597"	663.444107	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+DMSO+H"	79.021207
"1013846"	667.483276	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2ACN+H"	83.060376
"1535255"	668.476908	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+Na+H"	84.054008
"999515"	334.245276	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+2ACN+2H"	84.067652
"1599485"	669.391528	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+K+HCOOH"	84.968628
"1427331"	699.423038	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+H+CF3COOH"	115.000138
"1159807"	354.758551	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+3ACN+2H"	125.094202
"1711543"	716.449585	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+NH4+CF3COOH"	132.026685
"1640633"	721.40498	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+Na+CF3COOH"	136.98208
"1580659"	737.37892	"C08594"	"Flavoxanthin"	"C40H56O3"	"584.4229"	"M+K+CF3COOH"	152.95602
"807744"	345.0974	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M"	0
"975806"	326.07901	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-H2O-H"	-19.01839
"70612"	229.057657333333	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M-3H"	-3.021828
"504702"	344.090124	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M-3H"	-3.021828
"880092"	114.025190666667	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-3H"	-3.021828
"707"	344.090124	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M-2H"	-2.014552
"445016"	516.638824	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M-2H"	-2.014552
"820992"	171.541424	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-2H"	-2.014552
"79197"	689.187524	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M-H"	-1.007276
"520543"	1034.284924	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M-H"	-1.007276
"897979"	344.090124	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-H"	-1.007276
"47731"	706.214071	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M-2H+NH4"	16.019271
"487780"	1051.311471	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M-2H+NH4"	16.019271
"864849"	361.116671	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-2H+NH4"	16.019271
"32759"	711.169466	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M-2H+Na"	20.974666
"474628"	1056.266866	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M-2H+Na"	20.974666
"850607"	366.072066	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-2H+Na"	20.974666
"1621603"	366.072066	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Na-2H"	20.974666
"96063"	362.078463	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M-H+Cl"	33.962126
"537690"	534.627163	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M-H+Cl"	33.962126
"928777"	189.529763	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-H+Cl"	33.962126
"270498"	725.164202	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+Cl"	34.969402
"662185"	1070.261602	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+Cl"	34.969402
"1275318"	380.066802	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Cl"	34.969402
"18975"	727.143406	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M-2H+K"	36.948606
"460725"	1072.240806	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M-2H+K"	36.948606
"840712"	382.046006	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-2H+K"	36.948606
"1567490"	382.046006	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+K-2H"	36.948606
"957196"	390.095594	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-H+HCOOH"	44.998194
"375781"	735.193001	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+HCOOH-H"	44.998201
"356378"	749.208651	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+Hac-H"	59.013851
"1500836"	404.111251	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Hac-H"	59.013851
"972752"	412.077551	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-H+NaCOOH"	66.980151
"124696"	380.066802	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+2Cl"	69.938804
"562308"	552.615502	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+2Cl"	69.938804
"1031106"	207.518102	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2Cl"	69.938804
"1256725"	424.016285	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Br"	78.918885
"1318238"	426.072272	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Cl+HCOOH"	80.974872
"1333545"	448.054229	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Cl+NaCOOH"	102.956829
"916220"	458.082986	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M-H+CF3COOH"	112.985586
"1292927"	494.059664	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Cl+CF3COOH"	148.962264
"1372184"	310.084724	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H-2H2O"	-35.012676
"1386398"	328.0947	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H-H2O"	-17.0027
"285353"	691.202076	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+H"	1.007276
"677773"	1036.299476	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+H"	1.007276
"1351686"	346.104676	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H"	1.007276
"130298"	346.104676	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+2H"	2.014552
"573869"	518.653376	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+2H"	2.014552
"1041937"	173.555976	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2H"	2.014552
"210570"	231.072209333333	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+3H"	3.021828
"659871"	346.104676	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+3H"	3.021828
"1172638"	116.039742666667	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+3H"	3.021828
"428256"	708.228623	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+NH4"	18.033823
"801360"	1053.326023	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+NH4"	18.033823
"1696161"	363.131223	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+NH4"	18.033823
"344804"	354.6179495	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+H+NH4"	19.041099
"733938"	527.1666495	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+H+NH4"	19.041099
"1482292"	182.0692495	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H+NH4"	19.041099
"399874"	713.184018	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+Na"	22.989218
"758693"	1058.281418	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+Na"	22.989218
"1612257"	368.086618	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Na"	22.989218
"322293"	357.095647	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+H+Na"	23.996494
"708397"	529.644347	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+H+Na"	23.996494
"1463431"	184.546947	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H+Na"	23.996494
"1054854"	123.367056666667	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2H+Na"	25.00377
"1257746"	378.130886	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+CH3OH+H"	33.033486
"378018"	729.157958	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+K"	38.963158
"741577"	1074.255358	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+K"	38.963158
"1546185"	384.060558	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+K"	38.963158
"304817"	365.082617	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+H+K"	39.970434
"693590"	537.631317	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+H+K"	39.970434
"1447895"	192.533917	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H+K"	39.970434
"237222"	732.228626	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+ACN+H"	42.033826
"1210536"	387.131226	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+ACN+H"	42.033826
"1195639"	194.069251	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+ACN+2H"	43.041102
"191304"	735.16596	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+2Na-H"	44.97116
"633061"	1080.26336	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+2Na-H"	44.97116
"1138391"	390.06856	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2Na-H"	44.97116
"176940"	368.086618	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+2Na"	45.978436
"618688"	540.635318	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+2Na"	45.978436
"1119275"	195.537918	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2Na"	45.978436
"1400375"	130.694370666667	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H+2Na"	46.985712
"1432008"	392.110146	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H+HCOOH"	47.012746
"223890"	373.11964	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+3H2O+2H"	56.04448
"1510855"	406.16219	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+IsoProp+H"	61.06479
"412003"	376.073588	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+Na+K"	61.952376
"771534"	548.622288	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+Na+K"	61.952376
"1681009"	203.524888	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Na+K"	61.952376
"264249"	754.210568	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+ACN+Na"	64.015768
"1239514"	409.113168	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+ACN+Na"	64.015768
"1726211"	409.136693	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+NH4+HCOOH"	64.039293
"1191929"	138.021684666667	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+3Na"	68.967654
"1664621"	414.092088	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Na+HCOOH"	68.994688
"170509"	767.11384	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+2K-H"	76.91904
"611042"	1112.21124	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+2K-H"	76.91904
"1097500"	422.01644	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2K-H"	76.91904
"153949"	384.060558	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"2M+2K"	77.926316
"594359"	556.609258	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"3M+2K"	77.926316
"1082760"	211.511858	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2K"	77.926316
"1114633"	424.030992	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2K+H"	78.933592
"1347614"	424.118607	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+DMSO+H"	79.021207
"1013956"	428.157776	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2ACN+H"	83.060376
"1537430"	429.151408	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+IsoProp+Na+H"	84.054008
"999625"	214.582526	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+2ACN+2H"	84.067652
"1598503"	430.066028	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+K+HCOOH"	84.968628
"1427441"	460.097538	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+H+CF3COOH"	115.000138
"1159917"	235.095801	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+3ACN+2H"	125.094202
"1709467"	477.124085	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+NH4+CF3COOH"	132.026685
"1640743"	482.07948	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+Na+CF3COOH"	136.98208
"1580769"	498.05342	"C08595"	"Capensinidin"	"C18H17O7"	"345.0974"	"M+K+CF3COOH"	152.95602
"807854"	658.4233	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M"	0
"974944"	639.40491	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-H2O-H"	-19.01839
"67442"	437.941590666667	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M-3H"	-3.021828
"503028"	657.416024	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M-3H"	-3.021828
"880176"	218.467157333333	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-3H"	-3.021828
"1183"	657.416024	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M-2H"	-2.014552
"444033"	986.627674	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M-2H"	-2.014552
"818916"	328.204374	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-2H"	-2.014552
"79634"	1315.839324	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M-H"	-1.007276
"519681"	1974.262624	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M-H"	-1.007276
"898453"	657.416024	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-H"	-1.007276
"48089"	1332.865871	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M-2H+NH4"	16.019271
"488378"	1991.289171	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M-2H+NH4"	16.019271
"864721"	674.442571	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-2H+NH4"	16.019271
"33719"	1337.821266	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M-2H+Na"	20.974666
"475103"	1996.244566	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M-2H+Na"	20.974666
"849987"	679.397966	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-2H+Na"	20.974666
"1620985"	679.397966	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Na-2H"	20.974666
"96418"	675.404363	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M-H+Cl"	33.962126
"537073"	1004.616013	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M-H+Cl"	33.962126
"929494"	346.192713	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-H+Cl"	33.962126
"271701"	1351.816002	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+Cl"	34.969402
"662295"	2010.239302	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+Cl"	34.969402
"1274699"	693.392702	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Cl"	34.969402
"19085"	1353.795206	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M-2H+K"	36.948606
"461928"	2012.218506	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M-2H+K"	36.948606
"840822"	695.371906	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-2H+K"	36.948606
"1568329"	695.371906	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+K-2H"	36.948606
"956212"	703.421494	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-H+HCOOH"	44.998194
"376982"	1361.844801	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+HCOOH-H"	44.998201
"354301"	1375.860451	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+Hac-H"	59.013851
"1502039"	717.437151	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Hac-H"	59.013851
"971767"	725.403451	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-H+NaCOOH"	66.980151
"123589"	693.392702	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+2Cl"	69.938804
"562418"	1022.604352	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+2Cl"	69.938804
"1031216"	364.181052	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2Cl"	69.938804
"1255901"	737.342185	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Br"	78.918885
"1316524"	739.398172	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Cl+HCOOH"	80.974872
"1329646"	761.380129	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Cl+NaCOOH"	102.956829
"915237"	771.408886	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M-H+CF3COOH"	112.985586
"1291944"	807.385564	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Cl+CF3COOH"	148.962264
"1369377"	623.410624	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H-2H2O"	-35.012676
"1383956"	641.4206	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H-H2O"	-17.0027
"283071"	1317.853876	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+H"	1.007276
"677883"	1976.277176	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+H"	1.007276
"1351676"	659.430576	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H"	1.007276
"130044"	659.430576	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+2H"	2.014552
"572885"	988.642226	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+2H"	2.014552
"1040223"	330.218926	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2H"	2.014552
"210679"	439.956142666667	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+3H"	3.021828
"659763"	659.430576	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+3H"	3.021828
"1171655"	220.481709333333	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+3H"	3.021828
"428366"	1334.880423	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+NH4"	18.033823
"793736"	1993.303723	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+NH4"	18.033823
"1696153"	676.457123	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+NH4"	18.033823
"345273"	667.9438495	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+H+NH4"	19.041099
"729673"	997.1554995	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+H+NH4"	19.041099
"1485682"	338.7321995	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H+NH4"	19.041099
"396705"	1339.835818	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+Na"	22.989218
"759896"	1998.259118	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+Na"	22.989218
"1610180"	681.412518	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Na"	22.989218
"321309"	670.421547	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+H+Na"	23.996494
"710087"	999.633197	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+H+Na"	23.996494
"1463907"	341.209897	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H+Na"	23.996494
"1053871"	227.809023333333	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2H+Na"	25.00377
"1257492"	691.456786	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+CH3OH+H"	33.033486
"377641"	1355.809758	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+K"	38.963158
"741323"	2014.233058	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+K"	38.963158
"1544105"	697.386458	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+K"	38.963158
"305656"	678.408517	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+H+K"	39.970434
"694429"	1007.620167	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+H+K"	39.970434
"1448612"	349.196867	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H+K"	39.970434
"237942"	1358.880426	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+ACN+H"	42.033826
"1210282"	700.457126	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+ACN+H"	42.033826
"1195386"	350.732201	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+ACN+2H"	43.041102
"191048"	1361.81776	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+2Na-H"	44.97116
"634629"	2020.24106	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+2Na-H"	44.97116
"1137773"	703.39446	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2Na-H"	44.97116
"177415"	681.412518	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+2Na"	45.978436
"619528"	1010.624168	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+2Na"	45.978436
"1120118"	352.200868	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2Na"	45.978436
"1400728"	235.136337333333	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H+2Na"	46.985712
"1432844"	705.436046	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H+HCOOH"	47.012746
"224729"	686.44554	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+3H2O+2H"	56.04448
"1509873"	719.48809	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+IsoProp+H"	61.06479
"409197"	689.399488	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+Na+K"	61.952376
"771648"	1018.611138	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+Na+K"	61.952376
"1667002"	360.187838	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Na+K"	61.952376
"266182"	1380.862368	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+ACN+Na"	64.015768
"1241126"	722.439068	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+ACN+Na"	64.015768
"1726685"	722.462593	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+NH4+HCOOH"	64.039293
"1193378"	242.463651333333	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+3Na"	68.967654
"1665217"	727.417988	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Na+HCOOH"	68.994688
"170984"	1393.76564	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+2K-H"	76.91904
"611881"	2052.18894	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+2K-H"	76.91904
"1099392"	735.34234	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2K-H"	76.91904
"155641"	697.386458	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"2M+2K"	77.926316
"596538"	1026.598108	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"3M+2K"	77.926316
"1082870"	368.174808	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2K"	77.926316
"1114013"	737.356892	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2K+H"	78.933592
"1348817"	737.444507	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+DMSO+H"	79.021207
"1016254"	741.483676	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2ACN+H"	83.060376
"1537661"	742.477308	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+IsoProp+Na+H"	84.054008
"1001924"	371.245476	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+2ACN+2H"	84.067652
"1600800"	743.391928	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+K+HCOOH"	84.968628
"1427551"	773.423438	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+H+CF3COOH"	115.000138
"1161121"	391.758751	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+3ACN+2H"	125.094202
"1709577"	790.449985	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+NH4+CF3COOH"	132.026685
"1640853"	795.40538	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+Na+CF3COOH"	136.98208
"1580879"	811.37932	"C08596"	"Fucoxanthin"	"C42H58O6"	"658.4233"	"M+K+CF3COOH"	152.95602
"807964"	1044.8874	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M"	0
"974359"	1025.86901	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-H2O-H"	-19.01839
"66458"	695.584324	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M-3H"	-3.021828
"503001"	1043.880124	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M-3H"	-3.021828
"880531"	347.288524	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-3H"	-3.021828
"929"	1043.880124	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M-2H"	-2.014552
"440244"	1566.323824	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M-2H"	-2.014552
"818660"	521.436424	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-2H"	-2.014552
"79132"	2088.767524	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M-H"	-1.007276
"520032"	3133.654924	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M-H"	-1.007276
"896011"	1043.880124	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-H"	-1.007276
"47630"	2105.794071	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M-2H+NH4"	16.019271
"488489"	3150.681471	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M-2H+NH4"	16.019271
"864426"	1060.906671	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-2H+NH4"	16.019271
"32123"	2110.749466	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M-2H+Na"	20.974666
"472414"	3155.636866	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M-2H+Na"	20.974666
"849369"	1065.862066	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-2H+Na"	20.974666
"1621094"	1065.862066	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Na-2H"	20.974666
"94828"	1061.868463	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M-H+Cl"	33.962126
"536090"	1584.312163	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M-H+Cl"	33.962126
"927783"	539.424763	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-H+Cl"	33.962126
"269624"	2124.744202	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+Cl"	34.969402
"661314"	3169.631602	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+Cl"	34.969402
"1276637"	1079.856802	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Cl"	34.969402
"22476"	2126.723406	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M-2H+K"	36.948606
"466412"	3171.610806	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M-2H+K"	36.948606
"838745"	1081.836006	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-2H+K"	36.948606
"1568803"	1081.836006	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+K-2H"	36.948606
"955593"	1089.885594	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-H+HCOOH"	44.998194
"376725"	2134.773001	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+HCOOH-H"	44.998201
"354411"	2148.788651	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+Hac-H"	59.013851
"1502149"	1103.901251	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Hac-H"	59.013851
"970783"	1111.867551	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-H+NaCOOH"	66.980151
"123699"	1079.856802	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+2Cl"	69.938804
"565206"	1602.300502	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+2Cl"	69.938804
"1036309"	557.413102	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2Cl"	69.938804
"1256012"	1123.806285	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Br"	78.918885
"1317728"	1125.862272	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Cl+HCOOH"	80.974872
"1329756"	1147.844229	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Cl+NaCOOH"	102.956829
"915347"	1157.872986	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M-H+CF3COOH"	112.985586
"1290596"	1193.849664	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Cl+CF3COOH"	148.962264
"1372404"	1009.874724	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H-2H2O"	-35.012676
"1383337"	1027.8847	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H-H2O"	-17.0027
"283302"	2090.782076	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+H"	1.007276
"678722"	3135.669476	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+H"	1.007276
"1351419"	1045.894676	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H"	1.007276
"127966"	1045.894676	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+2H"	2.014552
"570809"	1568.338376	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+2H"	2.014552
"1039968"	523.450976	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2H"	2.014552
"209696"	697.598876	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+3H"	3.021828
"659642"	1045.894676	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+3H"	3.021828
"1172858"	349.303076	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+3H"	3.021828
"428476"	2107.808623	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+NH4"	18.033823
"793846"	3152.696023	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+NH4"	18.033823
"1693461"	1062.921223	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+NH4"	18.033823
"341736"	1054.4079495	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+H+NH4"	19.041099
"726501"	1576.8516495	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+H+NH4"	19.041099
"1482510"	531.9642495	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H+NH4"	19.041099
"394628"	2112.764018	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+Na"	22.989218
"757088"	3157.651418	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+Na"	22.989218
"1609195"	1067.876618	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Na"	22.989218
"318138"	1056.885647	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+H+Na"	23.996494
"707886"	1579.329347	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+H+Na"	23.996494
"1464017"	534.441947	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H+Na"	23.996494
"1053372"	356.63039	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2H+Na"	25.00377
"1257480"	1077.920886	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+CH3OH+H"	33.033486
"377132"	2128.737958	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+K"	38.963158
"740341"	3173.625358	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+K"	38.963158
"1543850"	1083.850558	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+K"	38.963158
"303943"	1064.872617	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+H+K"	39.970434
"694904"	1587.316317	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+H+K"	39.970434
"1448722"	542.428917	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H+K"	39.970434
"236957"	2131.808626	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+ACN+H"	42.033826
"1210039"	1086.921226	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+ACN+H"	42.033826
"1195738"	543.964251	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+ACN+2H"	43.041102
"189333"	2134.74596	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+2Na-H"	44.97116
"632189"	3179.63336	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+2Na-H"	44.97116
"1137519"	1089.85856	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2Na-H"	44.97116
"175824"	1067.876618	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+2Na"	45.978436
"618180"	1590.320318	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+2Na"	45.978436
"1118039"	545.432918	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2Na"	45.978436
"1400353"	363.957704	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H+2Na"	46.985712
"1431615"	1091.900146	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H+HCOOH"	47.012746
"224840"	1072.90964	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+3H2O+2H"	56.04448
"1513995"	1105.95219	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+IsoProp+H"	61.06479
"410403"	1075.863588	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+Na+K"	61.952376
"772123"	1598.307288	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+Na+K"	61.952376
"1666260"	553.419888	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Na+K"	61.952376
"265685"	2153.790568	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+ACN+Na"	64.015768
"1240993"	1108.903168	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+ACN+Na"	64.015768
"1728097"	1108.926693	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+NH4+HCOOH"	64.039293
"1193814"	371.285018	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+3Na"	68.967654
"1665083"	1113.882088	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Na+HCOOH"	68.994688
"170000"	2166.69384	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+2K-H"	76.91904
"612400"	3211.58124	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+2K-H"	76.91904
"1099304"	1121.80644	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2K-H"	76.91904
"156844"	1083.850558	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"2M+2K"	77.926316
"595915"	1606.294258	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"3M+2K"	77.926316
"1083545"	561.406858	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2K"	77.926316
"1113635"	1123.820992	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2K+H"	78.933592
"1348927"	1123.908607	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+DMSO+H"	79.021207
"1016364"	1127.947776	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2ACN+H"	83.060376
"1537771"	1128.941408	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+IsoProp+Na+H"	84.054008
"1003125"	564.477526	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+2ACN+2H"	84.067652
"1600546"	1129.856028	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+K+HCOOH"	84.968628
"1427661"	1159.887538	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+H+CF3COOH"	115.000138
"1161231"	584.990801	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+3ACN+2H"	125.094202
"1708593"	1176.914085	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+NH4+CF3COOH"	132.026685
"1639870"	1181.86948	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+Na+CF3COOH"	136.98208
"1580989"	1197.84342	"C08597"	"Helenien;Xantofyl palmitate"	"C72H116O4"	"1044.8874"	"M+K+CF3COOH"	152.95602
"808074"	448.1006	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M"	0
"974512"	429.08221	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"67662"	297.726457333333	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"503205"	447.093324	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"880643"	148.359590666667	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"2498"	447.093324	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"440519"	671.143624	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"820592"	223.043024	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"79486"	895.193924	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"521234"	1343.294524	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"896850"	447.093324	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"48674"	912.220471	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"490057"	1360.321071	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"865794"	464.119871	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"31987"	917.175866	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"473133"	1365.276466	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"850209"	469.075266	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1620111"	469.075266	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"95546"	465.081663	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"537293"	689.131963	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"928986"	241.031363	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"271920"	931.170602	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"661424"	1379.271202	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1277840"	483.070002	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"17111"	933.149806	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"456669"	1381.250406	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"834477"	485.049206	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1570575"	485.049206	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"956433"	493.098794	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"376391"	941.199401	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"354521"	955.215051	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1501166"	507.114451	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"972596"	515.080751	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"123446"	483.070002	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"564465"	707.120302	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1036178"	259.019702	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1256001"	527.019485	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1318567"	529.075472	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1329866"	551.057429	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"913269"	561.086186	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1290342"	597.062864	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1372514"	413.087924	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1385635"	431.0979	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"284589"	897.208476	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"676645"	1345.309076	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1351894"	449.107876	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"131357"	449.107876	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"573105"	673.158176	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1042996"	225.057576	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"213086"	299.741009333333	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"657520"	449.107876	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1172968"	150.374142666667	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"429679"	914.235023	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"790676"	1362.335623	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1693935"	466.134423	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"341846"	457.6211495	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"725882"	681.6714495	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1481526"	233.5708495	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"398018"	919.190418	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"759020"	1367.291018	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1608212"	471.089818	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"319342"	460.098847	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"711764"	684.149147	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1463763"	236.048547	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1053275"	157.701456666667	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1257139"	481.134086	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"378710"	935.164358	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"742633"	1383.264958	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1540066"	487.063758	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"301503"	468.085817	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"693921"	692.136117	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1446646"	244.035517	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"235765"	938.235026	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1210051"	490.134426	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1196575"	245.570851	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"188952"	941.17236	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"633029"	1389.27296	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1137629"	493.07176	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"177637"	471.089818	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"617197"	695.140118	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1118881"	247.039518	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1402044"	165.028770666667	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1431972"	495.113346	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"221670"	476.12284	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1513012"	509.16539	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"410507"	479.076788	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"771869"	703.127088	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1668193"	255.026488	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"262757"	960.216968	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1240818"	512.116368	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1728305"	512.139893	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1192259"	172.356084666667	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1664708"	517.095288	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"170111"	973.12024	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"612222"	1421.22084	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1099407"	525.01964	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"157025"	487.063758	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"596635"	711.114058	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1083453"	263.013458	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1113745"	527.034192	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1349037"	527.121807	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1016474"	531.160976	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1537518"	532.154608	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"1004329"	266.084126	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1600656"	533.069228	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1426678"	563.100738	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1161341"	286.597401	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1706517"	580.127285	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1639980"	585.08268	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1581099"	601.05662	"C08598"	"Carthamone"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"808185"	568.428	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M"	0
"979530"	549.40961	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-H2O-H"	-19.01839
"69960"	377.944724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M-3H"	-3.021828
"507333"	567.420724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M-3H"	-3.021828
"880148"	188.468724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-3H"	-3.021828
"296"	567.420724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M-2H"	-2.014552
"440952"	851.634724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M-2H"	-2.014552
"819612"	283.206724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-2H"	-2.014552
"82154"	1135.848724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M-H"	-1.007276
"520984"	1704.276724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M-H"	-1.007276
"898057"	567.420724	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-H"	-1.007276
"49146"	1152.875271	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M-2H+NH4"	16.019271
"489440"	1721.303271	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M-2H+NH4"	16.019271
"866877"	584.447271	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-2H+NH4"	16.019271
"32460"	1157.830666	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M-2H+Na"	20.974666
"472268"	1726.258666	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M-2H+Na"	20.974666
"851412"	589.402666	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-2H+Na"	20.974666
"1622043"	589.402666	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Na-2H"	20.974666
"97479"	585.409063	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M-H+Cl"	33.962126
"538864"	869.623063	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M-H+Cl"	33.962126
"928002"	301.195063	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-H+Cl"	33.962126
"273123"	1171.825402	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+Cl"	34.969402
"661291"	1740.253402	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+Cl"	34.969402
"1279043"	603.397402	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Cl"	34.969402
"17223"	1173.804606	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M-2H+K"	36.948606
"456658"	1742.232606	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M-2H+K"	36.948606
"833858"	605.376606	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-2H+K"	36.948606
"1570488"	605.376606	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+K-2H"	36.948606
"958213"	613.426194	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-H+HCOOH"	44.998194
"376343"	1181.854201	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+HCOOH-H"	44.998201
"360099"	1195.869851	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+Hac-H"	59.013851
"1508203"	627.441851	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Hac-H"	59.013851
"973807"	635.408151	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-H+NaCOOH"	66.980151
"125501"	603.397402	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+2Cl"	69.938804
"565183"	887.611402	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+2Cl"	69.938804
"1036529"	319.183402	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2Cl"	69.938804
"1256232"	647.346885	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Br"	78.918885
"1316855"	649.402872	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Cl+HCOOH"	80.974872
"1329976"	671.384829	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Cl+NaCOOH"	102.956829
"915566"	681.413586	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M-H+CF3COOH"	112.985586
"1290452"	717.390264	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Cl+CF3COOH"	148.962264
"1372624"	533.415324	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H-2H2O"	-35.012676
"1385745"	551.4253	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H-H2O"	-17.0027
"283242"	1137.863276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+H"	1.007276
"677849"	1706.291276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+H"	1.007276
"1352736"	569.435276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H"	1.007276
"129281"	569.435276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+2H"	2.014552
"573215"	853.649276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+2H"	2.014552
"1040919"	285.221276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2H"	2.014552
"212102"	379.959276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+3H"	3.021828
"657994"	569.435276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+3H"	3.021828
"1169798"	190.483276	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+3H"	3.021828
"430153"	1154.889823	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+NH4"	18.033823
"793330"	1723.317823	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+NH4"	18.033823
"1693680"	586.461823	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+NH4"	18.033823
"341956"	577.9485495	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+H+NH4"	19.041099
"727814"	862.1625495	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+H+NH4"	19.041099
"1480543"	293.7345495	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H+NH4"	19.041099
"397035"	1159.845218	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+Na"	22.989218
"761317"	1728.273218	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+Na"	22.989218
"1610509"	591.417218	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Na"	22.989218
"319451"	580.426247	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+H+Na"	23.996494
"710779"	864.640247	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+H+Na"	23.996494
"1464237"	296.212247	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H+Na"	23.996494
"1053141"	197.81059	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2H+Na"	25.00377
"1257695"	601.461486	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+CH3OH+H"	33.033486
"378818"	1175.819158	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+K"	38.963158
"743836"	1744.247158	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+K"	38.963158
"1541877"	607.391158	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+K"	38.963158
"302705"	588.413217	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+H+K"	39.970434
"694032"	872.627217	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+H+K"	39.970434
"1447849"	304.199217	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H+K"	39.970434
"236446"	1178.889826	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+ACN+H"	42.033826
"1210200"	610.461826	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+ACN+H"	42.033826
"1196321"	305.734551	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+ACN+2H"	43.041102
"189229"	1181.82716	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+2Na-H"	44.97116
"633139"	1750.25516	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+2Na-H"	44.97116
"1138832"	613.39916	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2Na-H"	44.97116
"176654"	591.417218	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+2Na"	45.978436
"619494"	875.631218	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+2Na"	45.978436
"1118991"	307.203218	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2Na"	45.978436
"1399358"	205.137904	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H+2Na"	46.985712
"1430988"	615.440746	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H+HCOOH"	47.012746
"225060"	596.45024	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+3H2O+2H"	56.04448
"1514215"	629.49279	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+IsoProp+H"	61.06479
"410618"	599.404188	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+Na+K"	61.952376
"772344"	883.618188	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+Na+K"	61.952376
"1667215"	315.190188	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Na+K"	61.952376
"263961"	1200.871768	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+ACN+Na"	64.015768
"1240566"	632.443768	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+ACN+Na"	64.015768
"1727989"	632.467293	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+NH4+HCOOH"	64.039293
"1191277"	212.465218	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+3Na"	68.967654
"1664816"	637.422688	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Na+HCOOH"	68.994688
"170220"	1213.77504	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+2K-H"	76.91904
"612453"	1782.20304	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+2K-H"	76.91904
"1099152"	645.34704	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2K-H"	76.91904
"156903"	607.391158	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"2M+2K"	77.926316
"596137"	891.605158	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"3M+2K"	77.926316
"1083813"	323.177158	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2K"	77.926316
"1114223"	647.361592	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2K+H"	78.933592
"1348784"	647.449207	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+DMSO+H"	79.021207
"1019868"	651.488376	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2ACN+H"	83.060376
"1535803"	652.482008	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+IsoProp+Na+H"	84.054008
"1002253"	326.247826	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+2ACN+2H"	84.067652
"1600035"	653.396628	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+K+HCOOH"	84.968628
"1424600"	683.428138	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+H+CF3COOH"	115.000138
"1157075"	346.761101	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+3ACN+2H"	125.094202
"1707720"	700.454685	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+NH4+CF3COOH"	132.026685
"1640090"	705.41008	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+Na+CF3COOH"	136.98208
"1581209"	721.38402	"C08599"	"Lactucaxanthin"	"C40H56O2"	"568.428"	"M+K+CF3COOH"	152.95602
"811575"	466.1264	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M"	0
"977452"	447.10801	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-H2O-H"	-19.01839
"68977"	309.743657333333	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M-3H"	-3.021828
"508536"	465.119124	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M-3H"	-3.021828
"881962"	154.368190666667	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-3H"	-3.021828
"3815"	465.119124	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M-2H"	-2.014552
"440820"	698.182324	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M-2H"	-2.014552
"821181"	232.055924	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-2H"	-2.014552
"85544"	931.245524	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M-H"	-1.007276
"520000"	1397.371924	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M-H"	-1.007276
"897438"	465.119124	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-H"	-1.007276
"49016"	948.272071	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M-2H+NH4"	16.019271
"489915"	1414.398471	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M-2H+NH4"	16.019271
"866987"	482.145671	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-2H+NH4"	16.019271
"33063"	953.227466	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M-2H+Na"	20.974666
"473717"	1419.353866	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M-2H+Na"	20.974666
"849330"	487.101066	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-2H+Na"	20.974666
"1625073"	487.101066	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Na-2H"	20.974666
"101602"	483.107463	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M-H+Cl"	33.962126
"537881"	716.170663	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M-H+Cl"	33.962126
"929932"	250.044263	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-H+Cl"	33.962126
"273233"	967.222202	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+Cl"	34.969402
"661639"	1433.348602	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+Cl"	34.969402
"1280247"	501.095802	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Cl"	34.969402
"20615"	969.201406	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M-2H+K"	36.948606
"457013"	1435.327806	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M-2H+K"	36.948606
"837977"	503.075006	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-2H+K"	36.948606
"1571092"	503.075006	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+K-2H"	36.948606
"958364"	511.124594	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-H+HCOOH"	44.998194
"376453"	977.251001	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+HCOOH-H"	44.998201
"360817"	991.266651	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+Hac-H"	59.013851
"1508405"	525.140251	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Hac-H"	59.013851
"973995"	533.106551	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-H+NaCOOH"	66.980151
"125532"	501.095802	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+2Cl"	69.938804
"565584"	734.159002	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+2Cl"	69.938804
"1036641"	268.032602	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2Cl"	69.938804
"1256993"	545.045285	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Br"	78.918885
"1319151"	547.101272	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Cl+HCOOH"	80.974872
"1330086"	569.083229	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Cl+NaCOOH"	102.956829
"918956"	579.111986	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M-H+CF3COOH"	112.985586
"1290319"	615.088664	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Cl+CF3COOH"	148.962264
"1376014"	431.113724	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H-2H2O"	-35.012676
"1389135"	449.1237	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H-H2O"	-17.0027
"283348"	933.260076	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+H"	1.007276
"677958"	1399.386476	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+H"	1.007276
"1352481"	467.133676	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H"	1.007276
"130119"	467.133676	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+2H"	2.014552
"573325"	700.196876	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+2H"	2.014552
"1042123"	234.070476	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2H"	2.014552
"210025"	311.758209333333	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+3H"	3.021828
"647760"	467.133676	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+3H"	3.021828
"1169908"	156.382742666667	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+3H"	3.021828
"430991"	950.286623	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+NH4"	18.033823
"792348"	1416.413023	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+NH4"	18.033823
"1689412"	484.160223	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+NH4"	18.033823
"336593"	475.6469495	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+H+NH4"	19.041099
"726830"	708.7101495	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+H+NH4"	19.041099
"1481741"	242.5837495	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H+NH4"	19.041099
"396051"	955.242018	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+Na"	22.989218
"760333"	1421.368418	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+Na"	22.989218
"1611712"	489.115618	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Na"	22.989218
"319927"	478.124647	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+H+Na"	23.996494
"710161"	711.187847	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+H+Na"	23.996494
"1464711"	245.061447	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H+Na"	23.996494
"1053334"	163.710056666667	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2H+Na"	25.00377
"1257928"	499.159886	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+CH3OH+H"	33.033486
"377956"	971.215958	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+K"	38.963158
"745769"	1437.342358	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+K"	38.963158
"1543447"	505.089558	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+K"	38.963158
"301722"	486.111617	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+H+K"	39.970434
"694142"	719.174817	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+H+K"	39.970434
"1447958"	253.048417	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H+K"	39.970434
"236310"	974.286626	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+ACN+H"	42.033826
"1209935"	508.160226	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+ACN+H"	42.033826
"1196432"	254.583751	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+ACN+2H"	43.041102
"189787"	977.22396	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+2Na-H"	44.97116
"634342"	1443.35036	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+2Na-H"	44.97116
"1136755"	511.09756	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2Na-H"	44.97116
"184417"	489.115618	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+2Na"	45.978436
"618511"	722.178818	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+2Na"	45.978436
"1124204"	256.052418	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2Na"	45.978436
"1402264"	171.037370666667	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H+2Na"	46.985712
"1431098"	513.139146	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H+HCOOH"	47.012746
"223344"	494.14864	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+3H2O+2H"	56.04448
"1517605"	527.19119	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+IsoProp+H"	61.06479
"411823"	497.102588	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+Na+K"	61.952376
"777193"	730.165788	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+Na+K"	61.952376
"1667327"	264.039388	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Na+K"	61.952376
"264435"	996.268568	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+ACN+Na"	64.015768
"1239582"	530.142168	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+ACN+Na"	64.015768
"1727009"	530.165693	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+NH4+HCOOH"	64.039293
"1192480"	178.364684666667	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+3Na"	68.967654
"1663712"	535.121088	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Na+HCOOH"	68.994688
"169239"	1009.17184	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+2K-H"	76.91904
"611353"	1475.29824	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+2K-H"	76.91904
"1096593"	543.04544	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2K-H"	76.91904
"155593"	505.089558	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"2M+2K"	77.926316
"595520"	738.152758	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"3M+2K"	77.926316
"1082222"	272.026358	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2K"	77.926316
"1113729"	545.059992	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2K+H"	78.933592
"1349258"	545.147607	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+DMSO+H"	79.021207
"1018882"	549.186776	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2ACN+H"	83.060376
"1533726"	550.180408	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+IsoProp+Na+H"	84.054008
"1002362"	275.097026	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+2ACN+2H"	84.067652
"1596866"	551.095028	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+K+HCOOH"	84.968628
"1425803"	581.126538	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+H+CF3COOH"	115.000138
"1157184"	295.610301	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+3ACN+2H"	125.094202
"1704550"	598.153085	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+NH4+CF3COOH"	132.026685
"1640200"	603.10848	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+Na+CF3COOH"	136.98208
"1581319"	619.08242	"C08600"	"Silandrin"	"C25H22O9"	"466.1264"	"M+K+CF3COOH"	152.95602
"810592"	568.428	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M"	0
"976468"	549.40961	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-H2O-H"	-19.01839
"69085"	377.944724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M-3H"	-3.021828
"503663"	567.420724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M-3H"	-3.021828
"881706"	188.468724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-3H"	-3.021828
"1367"	567.420724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M-2H"	-2.014552
"441661"	851.634724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M-2H"	-2.014552
"821291"	283.206724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-2H"	-2.014552
"80188"	1135.848724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M-H"	-1.007276
"520595"	1704.276724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M-H"	-1.007276
"897542"	567.420724	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-H"	-1.007276
"49732"	1152.875271	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M-2H+NH4"	16.019271
"489047"	1721.303271	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M-2H+NH4"	16.019271
"865273"	584.447271	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-2H+NH4"	16.019271
"32320"	1157.830666	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M-2H+Na"	20.974666
"474557"	1726.258666	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M-2H+Na"	20.974666
"850049"	589.402666	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-2H+Na"	20.974666
"1622263"	589.402666	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Na-2H"	20.974666
"101712"	585.409063	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M-H+Cl"	33.962126
"539084"	869.623063	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M-H+Cl"	33.962126
"928098"	301.195063	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-H+Cl"	33.962126
"273343"	1171.825402	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+Cl"	34.969402
"661019"	1740.253402	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+Cl"	34.969402
"1282543"	603.397402	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Cl"	34.969402
"21818"	1173.804606	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M-2H+K"	36.948606
"459190"	1742.232606	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M-2H+K"	36.948606
"839180"	605.376606	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-2H+K"	36.948606
"1570996"	605.376606	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+K-2H"	36.948606
"957498"	613.426194	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-H+HCOOH"	44.998194
"375956"	1181.854201	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+HCOOH-H"	44.998201
"358132"	1195.869851	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+Hac-H"	59.013851
"1508183"	627.441851	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Hac-H"	59.013851
"973827"	635.408151	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-H+NaCOOH"	66.980151
"125485"	603.397402	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+2Cl"	69.938804
"565408"	887.611402	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+2Cl"	69.938804
"1036589"	319.183402	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2Cl"	69.938804
"1257021"	647.346885	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Br"	78.918885
"1315981"	649.402872	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Cl+HCOOH"	80.974872
"1330196"	671.384829	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Cl+NaCOOH"	102.956829
"919066"	681.413586	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M-H+CF3COOH"	112.985586
"1291400"	717.390264	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Cl+CF3COOH"	148.962264
"1372844"	533.415324	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H-2H2O"	-35.012676
"1389245"	551.4253	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H-H2O"	-17.0027
"286743"	1137.863276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+H"	1.007276
"678068"	1706.291276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+H"	1.007276
"1353321"	569.435276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H"	1.007276
"130594"	569.435276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+2H"	2.014552
"573435"	853.649276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+2H"	2.014552
"1040773"	285.221276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2H"	2.014552
"209042"	379.959276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+3H"	3.021828
"648234"	569.435276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+3H"	3.021828
"1171111"	190.483276	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+3H"	3.021828
"432195"	1154.889823	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+NH4"	18.033823
"791728"	1723.317823	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+NH4"	18.033823
"1690615"	586.461823	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+NH4"	18.033823
"334152"	577.9485495	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+H+NH4"	19.041099
"728032"	862.1625495	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+H+NH4"	19.041099
"1479665"	293.7345495	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H+NH4"	19.041099
"396161"	1159.845218	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+Na"	22.989218
"762628"	1728.273218	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+Na"	22.989218
"1607447"	591.417218	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Na"	22.989218
"321857"	580.426247	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+H+Na"	23.996494
"707718"	864.640247	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+H+Na"	23.996494
"1462139"	296.212247	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H+Na"	23.996494
"1053562"	197.81059	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2H+Na"	25.00377
"1257671"	601.461486	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+CH3OH+H"	33.033486
"377456"	1175.819158	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+K"	38.963158
"742599"	1744.247158	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+K"	38.963158
"1541490"	607.391158	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+K"	38.963158
"305112"	588.413217	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+H+K"	39.970434
"696439"	872.627217	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+H+K"	39.970434
"1447704"	304.199217	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H+K"	39.970434
"236666"	1178.889826	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+ACN+H"	42.033826
"1210016"	610.461826	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+ACN+H"	42.033826
"1196178"	305.734551	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+ACN+2H"	43.041102
"189897"	1181.82716	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+2Na-H"	44.97116
"634452"	1750.25516	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+2Na-H"	44.97116
"1135405"	613.39916	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2Na-H"	44.97116
"176144"	591.417218	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+2Na"	45.978436
"616069"	875.631218	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+2Na"	45.978436
"1125407"	307.203218	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2Na"	45.978436
"1402374"	205.137904	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H+2Na"	46.985712
"1433395"	615.440746	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H+HCOOH"	47.012746
"225276"	596.45024	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+3H2O+2H"	56.04448
"1517715"	629.49279	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+IsoProp+H"	61.06479
"414119"	599.404188	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+Na+K"	61.952376
"774023"	883.618188	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+Na+K"	61.952376
"1666340"	315.190188	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Na+K"	61.952376
"263086"	1200.871768	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+ACN+Na"	64.015768
"1236158"	632.443768	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+ACN+Na"	64.015768
"1727234"	632.467293	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+NH4+HCOOH"	64.039293
"1192588"	212.465218	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+3Na"	68.967654
"1664430"	637.422688	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Na+HCOOH"	68.994688
"169716"	1213.77504	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+2K-H"	76.91904
"608910"	1782.20304	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+2K-H"	76.91904
"1098885"	645.34704	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2K-H"	76.91904
"154975"	607.391158	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"2M+2K"	77.926316
"595994"	891.605158	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"3M+2K"	77.926316
"1082695"	323.177158	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2K"	77.926316
"1114079"	647.361592	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2K+H"	78.933592
"1349371"	647.449207	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+DMSO+H"	79.021207
"1019357"	651.488376	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2ACN+H"	83.060376
"1531649"	652.482008	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+IsoProp+Na+H"	84.054008
"1002473"	326.247826	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+2ACN+2H"	84.067652
"1598069"	653.396628	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+K+HCOOH"	84.968628
"1425913"	683.428138	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+H+CF3COOH"	115.000138
"1156201"	346.761101	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+3ACN+2H"	125.094202
"1704660"	700.454685	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+NH4+CF3COOH"	132.026685
"1640310"	705.41008	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+Na+CF3COOH"	136.98208
"1581429"	721.38402	"C08601"	"Lutein;Xanthophyll"	"C40H56O2"	"568.428"	"M+K+CF3COOH"	152.95602
"813982"	584.4229	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M"	0
"980953"	565.40451	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-H2O-H"	-19.01839
"69195"	388.607990666667	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M-3H"	-3.021828
"504258"	583.415624	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M-3H"	-3.021828
"883277"	193.800357333333	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-3H"	-3.021828
"755"	583.415624	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M-2H"	-2.014552
"440396"	875.627074	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M-2H"	-2.014552
"818118"	291.204174	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-2H"	-2.014552
"79934"	1167.838524	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M-H"	-1.007276
"519856"	1752.261424	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M-H"	-1.007276
"896563"	583.415624	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-H"	-1.007276
"48140"	1184.865071	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M-2H+NH4"	16.019271
"488065"	1769.287971	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M-2H+NH4"	16.019271
"864655"	600.442171	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-2H+NH4"	16.019271
"36202"	1189.820466	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M-2H+Na"	20.974666
"477949"	1774.243366	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M-2H+Na"	20.974666
"849311"	605.397566	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-2H+Na"	20.974666
"1621645"	605.397566	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Na-2H"	20.974666
"97081"	601.403963	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M-H+Cl"	33.962126
"537007"	893.615413	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M-H+Cl"	33.962126
"927226"	309.192513	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-H+Cl"	33.962126
"269443"	1203.815202	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+Cl"	34.969402
"660007"	1788.238102	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+Cl"	34.969402
"1281561"	619.392302	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Cl"	34.969402
"19741"	1205.794406	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M-2H+K"	36.948606
"456748"	1790.217306	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M-2H+K"	36.948606
"838197"	621.371506	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-2H+K"	36.948606
"1571174"	621.371506	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+K-2H"	36.948606
"958439"	629.421094	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-H+HCOOH"	44.998194
"377103"	1213.844001	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+HCOOH-H"	44.998201
"361263"	1227.859651	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+Hac-H"	59.013851
"1508299"	643.436751	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Hac-H"	59.013851
"974193"	651.403051	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-H+NaCOOH"	66.980151
"125639"	619.392302	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+2Cl"	69.938804
"565439"	911.603752	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+2Cl"	69.938804
"1034793"	327.180852	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2Cl"	69.938804
"1257038"	663.341785	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Br"	78.918885
"1316091"	665.397772	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Cl+HCOOH"	80.974872
"1330306"	687.379729	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Cl+NaCOOH"	102.956829
"919176"	697.408486	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M-H+CF3COOH"	112.985586
"1293698"	733.385164	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Cl+CF3COOH"	148.962264
"1376234"	549.410224	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H-2H2O"	-35.012676
"1386075"	567.4202	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H-H2O"	-17.0027
"282872"	1169.853076	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+H"	1.007276
"677083"	1754.275976	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+H"	1.007276
"1352699"	585.430176	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H"	1.007276
"129611"	585.430176	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+2H"	2.014552
"570265"	877.641626	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+2H"	2.014552
"1039061"	293.218726	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2H"	2.014552
"206234"	390.622542666667	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+3H"	3.021828
"647247"	585.430176	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+3H"	3.021828
"1167937"	195.814909333333	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+3H"	3.021828
"430118"	1186.879623	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+NH4"	18.033823
"790017"	1771.302523	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+NH4"	18.033823
"1689632"	602.456723	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+NH4"	18.033823
"331346"	593.9434495	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+H+NH4"	19.041099
"725224"	886.1548995	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+H+NH4"	19.041099
"1479773"	301.7319995	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H+NH4"	19.041099
"392915"	1191.835018	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+Na"	22.989218
"755449"	1776.257918	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+Na"	22.989218
"1604641"	607.412118	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Na"	22.989218
"318687"	596.421147	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+H+Na"	23.996494
"707704"	888.632597	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+H+Na"	23.996494
"1461431"	304.209697	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H+Na"	23.996494
"1053102"	203.142223333333	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2H+Na"	25.00377
"1257327"	617.456386	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+CH3OH+H"	33.033486
"377167"	1207.808958	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+K"	38.963158
"742712"	1792.231858	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+K"	38.963158
"1541846"	623.386058	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+K"	38.963158
"303038"	604.408117	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+H+K"	39.970434
"696184"	896.619567	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+H+K"	39.970434
"1446843"	312.196667	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H+K"	39.970434
"236295"	1210.879626	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+ACN+H"	42.033826
"1209962"	626.456726	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+ACN+H"	42.033826
"1197018"	313.732001	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+ACN+2H"	43.041102
"190252"	1213.81696	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+2Na-H"	44.97116
"636749"	1798.23986	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+2Na-H"	44.97116
"1135882"	629.39406	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2Na-H"	44.97116
"181357"	607.412118	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+2Na"	45.978436
"616544"	899.623568	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+2Na"	45.978436
"1124424"	315.200668	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2Na"	45.978436
"1403576"	210.469537333333	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H+2Na"	46.985712
"1436787"	631.435646	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H+HCOOH"	47.012746
"223200"	612.44514	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+3H2O+2H"	56.04448
"1510532"	645.48769	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+IsoProp+H"	61.06479
"418604"	615.399088	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+Na+K"	61.952376
"775225"	907.610538	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+Na+K"	61.952376
"1666692"	323.187638	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Na+K"	61.952376
"262464"	1232.861568	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+ACN+Na"	64.015768
"1238087"	648.438668	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+ACN+Na"	64.015768
"1726247"	648.462193	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+NH4+HCOOH"	64.039293
"1193303"	217.796851333333	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+3Na"	68.967654
"1664176"	653.417588	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Na+HCOOH"	68.994688
"169461"	1245.76484	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+2K-H"	76.91904
"610110"	1830.18774	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+2K-H"	76.91904
"1097540"	661.34194	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2K-H"	76.91904
"154722"	623.386058	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"2M+2K"	77.926316
"594528"	915.597508	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"3M+2K"	77.926316
"1081713"	331.174608	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2K"	77.926316
"1112368"	663.356492	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2K+H"	78.933592
"1348751"	663.444107	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+DMSO+H"	79.021207
"1016919"	667.483276	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2ACN+H"	83.060376
"1536135"	668.476908	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+IsoProp+Na+H"	84.054008
"1002220"	334.245276	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+2ACN+2H"	84.067652
"1600004"	669.391528	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+K+HCOOH"	84.968628
"1428214"	699.423038	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+H+CF3COOH"	115.000138
"1160688"	354.758551	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+3ACN+2H"	125.094202
"1708050"	716.449585	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+NH4+CF3COOH"	132.026685
"1646980"	721.40498	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+Na+CF3COOH"	136.98208
"1584819"	737.37892	"C08602"	"Lutein 56-epoxide"	"C40H56O3"	"584.4229"	"M+K+CF3COOH"	152.95602
"810812"	552.4331	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M"	0
"974542"	533.41471	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"67119"	367.281457333333	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"504491"	551.425824	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"880226"	183.137090666667	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"1223"	551.425824	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"440467"	827.642374	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"818227"	275.209274	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"81136"	1103.858924	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"521059"	1656.292024	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"897401"	551.425824	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"48734"	1120.885471	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"488782"	1673.318571	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"867315"	568.452371	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"34852"	1125.840866	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"472710"	1678.273966	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"851486"	573.407766	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1620297"	573.407766	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"95370"	569.414163	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"537119"	845.630713	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"929539"	293.197613	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"268096"	1139.835602	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"662089"	1692.268702	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1279485"	587.402502	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"20946"	1141.814806	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"456494"	1694.247906	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"839401"	589.381706	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1559615"	589.381706	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"952967"	597.431294	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"376749"	1149.864401	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"360910"	1163.880051	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1507920"	611.446951	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"973388"	619.413251	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"125455"	587.402502	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"564527"	863.619052	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1034903"	311.185952	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1256915"	631.351985	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1315108"	633.407972	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1327136"	655.389929	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"913819"	665.418686	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1293808"	701.395364	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1373063"	517.420424	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1389465"	535.4304	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"284047"	1105.873476	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"677558"	1658.306576	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1354633"	553.440376	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H"	1.007276
"131908"	553.440376	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"570376"	829.656926	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1041358"	277.223826	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"206344"	369.296009333333	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"649909"	553.440376	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1166954"	185.151642666667	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"428042"	1122.900023	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"791221"	1675.333123	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1687556"	570.466923	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"331092"	561.9536495	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"723996"	838.1701995	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1478182"	285.7370995	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"396378"	1127.855418	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"757382"	1680.288518	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1607667"	575.422318	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"317704"	564.431347	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"707451"	840.647897	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1461506"	288.214797	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1052820"	192.478956666667	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1257199"	585.466586	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"377192"	1143.829358	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"743916"	1696.262458	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1541592"	591.396258	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+K"	38.963158
"303148"	572.418317	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"694472"	848.634867	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1447925"	296.201767	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"237255"	1146.900026	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1210157"	594.466926	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1196032"	297.737101	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"189021"	1149.83736	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"635765"	1702.27046	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1132342"	597.40426	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"175635"	575.422318	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"614099"	851.638868	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1117974"	299.205768	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1399309"	199.806270666667	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1431424"	599.445846	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"221117"	580.45534	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1508641"	613.49789	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"408856"	583.409288	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"771683"	859.625838	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1666194"	307.192738	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"258195"	1168.881968	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1237468"	616.448868	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1726358"	616.472393	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1192808"	207.133584666667	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1664286"	621.427788	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"170662"	1181.78524	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"610949"	1734.21834	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1097288"	629.35214	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"154833"	591.396258	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"594757"	867.612808	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1081821"	315.179708	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1111750"	631.366692	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1349588"	631.454307	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1017026"	635.493476	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1535153"	636.487108	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1001601"	318.250376	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1599385"	637.401728	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1427231"	667.433238	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1160796"	338.763651	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1709254"	684.459785	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1645997"	689.41518	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1584929"	705.38912	"C08603"	"Lycoxanthin"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"812014"	449.1084	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M"	0
"974976"	430.09001	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-H2O-H"	-19.01839
"65042"	298.398324	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M-3H"	-3.021828
"502972"	448.101124	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M-3H"	-3.021828
"880138"	148.695524	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-3H"	-3.021828
"847"	448.101124	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M-2H"	-2.014552
"440062"	672.655324	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M-2H"	-2.014552
"817129"	223.546924	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-2H"	-2.014552
"79424"	897.209524	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M-H"	-1.007276
"518858"	1346.317924	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M-H"	-1.007276
"897143"	448.101124	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-H"	-1.007276
"48237"	914.236071	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M-2H+NH4"	16.019271
"489622"	1363.344471	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M-2H+NH4"	16.019271
"868518"	465.127671	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-2H+NH4"	16.019271
"35329"	919.191466	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M-2H+Na"	20.974666
"475982"	1368.299866	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M-2H+Na"	20.974666
"851232"	470.083066	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-2H+Na"	20.974666
"1618946"	470.083066	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Na-2H"	20.974666
"94790"	466.089463	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M-H+Cl"	33.962126
"534397"	690.643663	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M-H+Cl"	33.962126
"929649"	241.535263	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-H+Cl"	33.962126
"267590"	933.186202	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+Cl"	34.969402
"661346"	1382.294602	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+Cl"	34.969402
"1274125"	484.077802	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Cl"	34.969402
"16721"	935.165406	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M-2H+K"	36.948606
"456194"	1384.273806	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M-2H+K"	36.948606
"833311"	486.057006	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-2H+K"	36.948606
"1560817"	486.057006	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+K-2H"	36.948606
"952713"	494.106594	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-H+HCOOH"	44.998194
"376774"	943.215001	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+HCOOH-H"	44.998201
"361022"	957.230651	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+Hac-H"	59.013851
"1507665"	508.122251	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Hac-H"	59.013851
"973376"	516.088551	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-H+NaCOOH"	66.980151
"125566"	484.077802	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+2Cl"	69.938804
"564758"	708.632002	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+2Cl"	69.938804
"1033920"	259.523602	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2Cl"	69.938804
"1256416"	528.027285	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Br"	78.918885
"1313031"	530.083272	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Cl+HCOOH"	80.974872
"1330527"	552.065229	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Cl+NaCOOH"	102.956829
"919397"	562.093986	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M-H+CF3COOH"	112.985586
"1296106"	598.070664	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Cl+CF3COOH"	148.962264
"1370988"	414.095724	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H-2H2O"	-35.012676
"1395044"	432.1057	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H-H2O"	-17.0027
"290355"	899.224076	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+H"	1.007276
"680588"	1348.332476	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+H"	1.007276
"1355840"	450.115676	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H"	1.007276
"129831"	450.115676	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+2H"	2.014552
"569392"	674.669876	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+2H"	2.014552
"1040739"	225.561476	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2H"	2.014552
"208275"	300.412876	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+3H"	3.021828
"652206"	450.115676	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+3H"	3.021828
"1169251"	150.710076	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+3H"	3.021828
"429244"	916.250623	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+NH4"	18.033823
"789144"	1365.359023	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+NH4"	18.033823
"1682923"	467.142223	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+NH4"	18.033823
"330958"	458.6289495	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+H+NH4"	19.041099
"724714"	683.1831495	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+H+NH4"	19.041099
"1479992"	234.0747495	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H+NH4"	19.041099
"394301"	921.206018	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+Na"	22.989218
"754484"	1370.314418	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+Na"	22.989218
"1602827"	472.097618	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Na"	22.989218
"315020"	461.106647	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+H+Na"	23.996494
"707351"	685.660847	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+H+Na"	23.996494
"1461531"	236.552447	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H+Na"	23.996494
"1053155"	158.03739	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2H+Na"	25.00377
"1257754"	482.141886	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+CH3OH+H"	33.033486
"377380"	937.179958	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+K"	38.963158
"742932"	1386.288358	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+K"	38.963158
"1542063"	488.071558	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+K"	38.963158
"300338"	469.093617	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+H+K"	39.970434
"694216"	693.647817	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+H+K"	39.970434
"1448035"	244.539417	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H+K"	39.970434
"236507"	940.250626	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+ACN+H"	42.033826
"1210225"	491.142226	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+ACN+H"	42.033826
"1196142"	246.074751	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+ACN+2H"	43.041102
"189617"	943.18796	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+2Na-H"	44.97116
"631499"	1392.29636	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+2Na-H"	44.97116
"1131598"	494.07956	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2Na-H"	44.97116
"175381"	472.097618	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+2Na"	45.978436
"614575"	696.651818	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+2Na"	45.978436
"1119176"	247.543418	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2Na"	45.978436
"1402700"	165.364704	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H+2Na"	46.985712
"1431892"	496.121146	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H+HCOOH"	47.012746
"223418"	477.13064	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+3H2O+2H"	56.04448
"1509774"	510.17319	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+IsoProp+H"	61.06479
"409132"	480.084588	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+Na+K"	61.952376
"771550"	704.638788	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+Na+K"	61.952376
"1666179"	255.530388	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Na+K"	61.952376
"257208"	962.232568	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+ACN+Na"	64.015768
"1235388"	513.124168	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+ACN+Na"	64.015768
"1717713"	513.147693	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+NH4+HCOOH"	64.039293
"1187443"	172.692018	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+3Na"	68.967654
"1665128"	518.103088	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Na+HCOOH"	68.994688
"171136"	975.13584	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+2K-H"	76.91904
"611424"	1424.24424	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+2K-H"	76.91904
"1099583"	526.02744	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2K-H"	76.91904
"156034"	488.071558	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"2M+2K"	77.926316
"595839"	712.625758	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"3M+2K"	77.926316
"1081202"	263.517358	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2K"	77.926316
"1112954"	528.041992	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2K+H"	78.933592
"1348853"	528.129607	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+DMSO+H"	79.021207
"1018230"	532.168776	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2ACN+H"	83.060376
"1537449"	533.162408	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+IsoProp+Na+H"	84.054008
"1002805"	266.588026	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+2ACN+2H"	84.067652
"1601319"	534.077028	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+K+HCOOH"	84.968628
"1427341"	564.108538	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+H+CF3COOH"	115.000138
"1161999"	287.101301	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+3ACN+2H"	125.094202
"1710457"	581.135085	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+NH4+CF3COOH"	132.026685
"1646107"	586.09048	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+Na+CF3COOH"	136.98208
"1585039"	602.06442	"C08604"	"Chrysanthemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-beta-D-glucoside"	"C21H21O11"	"449.1084"	"M+K+CF3COOH"	152.95602
"808844"	552.4331	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M"	0
"975815"	533.41471	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"66245"	367.281457333333	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"504342"	551.425824	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"883600"	183.137090666667	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"1807"	551.425824	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"442834"	827.642374	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"818204"	275.209274	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"80987"	1103.858924	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"520913"	1656.292024	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"899080"	551.425824	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"50540"	1120.885471	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"490100"	1673.318571	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"870454"	568.452371	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"40907"	1125.840866	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"479373"	1678.273966	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"856081"	573.407766	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1620879"	573.407766	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"94980"	569.414163	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"534539"	845.630713	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"929030"	293.197613	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"269410"	1139.835602	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"660735"	1692.268702	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1278610"	587.402502	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"17277"	1141.814806	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"459631"	1694.247906	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"835245"	589.381706	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1557648"	589.381706	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"953187"	597.431294	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"376984"	1149.864401	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"360976"	1163.880051	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1507776"	611.446951	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"972765"	619.413251	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"123492"	587.402502	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"564868"	863.619052	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1034030"	311.185952	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1255076"	631.351985	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1318613"	633.407972	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1333555"	655.389929	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"923883"	665.418686	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1298404"	701.395364	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1374379"	517.420424	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1395155"	535.4304	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"295569"	1105.873476	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"680699"	1658.306576	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1354858"	553.440376	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H"	1.007276
"131400"	553.440376	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"570231"	829.656926	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1043768"	277.223826	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"212760"	369.296009333333	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"651226"	553.440376	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1168268"	185.151642666667	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"428263"	1122.900023	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"790347"	1675.333123	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1685589"	570.466923	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"333498"	561.9536495	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"725192"	838.1701995	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1479012"	285.7370995	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"396598"	1127.855418	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"756503"	1680.288518	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1604851"	575.422318	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"315130"	564.431347	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"707503"	840.647897	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1461728"	288.214797	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1053640"	192.478956666667	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1257627"	585.466586	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"377377"	1143.829358	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"741218"	1696.262458	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1541808"	591.396258	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+K"	38.963158
"301907"	572.418317	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"693958"	848.634867	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1446195"	296.201767	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"236373"	1146.900026	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1211875"	594.466926	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1194910"	297.737101	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"190332"	1149.83736	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"632704"	1702.27046	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1132804"	597.40426	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"174759"	575.422318	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"613468"	851.638868	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1119286"	299.205768	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1399404"	199.806270666667	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1432366"	599.445846	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"221338"	580.45534	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1510854"	613.49789	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"409809"	583.409288	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"771536"	859.625838	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1666046"	307.192738	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"256225"	1168.881968	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1233311"	616.448868	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1718915"	616.472393	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1187552"	207.133584666667	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1664014"	621.427788	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"170519"	1181.78524	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"610440"	1734.21834	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1097505"	629.35214	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"154323"	591.396258	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"593886"	867.612808	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1080949"	315.179708	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1111970"	631.366692	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1348356"	631.454307	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1016154"	635.493476	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1538529"	636.487108	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1003642"	318.250376	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1601425"	637.401728	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1428180"	667.433238	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1161016"	338.763651	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1710567"	684.459785	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1646217"	689.41518	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1585149"	705.38912	"C08605"	"Citroxanthin;Mutatochrome"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"808954"	600.4179	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M"	0
"977017"	581.39951	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"67449"	399.271324	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"507005"	599.410624	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"883711"	199.132024	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"3380"	599.410624	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"441852"	899.619574	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"819652"	299.201674	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"80009"	1199.828524	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"526859"	1800.246424	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"901381"	599.410624	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"55755"	1216.855071	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"498595"	1817.272971	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"874210"	616.437171	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"43934"	1221.810466	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"479483"	1822.228366	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"854004"	621.392566	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1625731"	621.392566	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"97886"	617.398963	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"535987"	917.607913	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"932056"	317.190013	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"272800"	1235.805202	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"664126"	1836.223102	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1274342"	635.387302	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"22369"	1237.784406	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"463021"	1838.202306	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"836448"	637.366506	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1556664"	637.366506	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"955484"	645.416094	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"375899"	1245.834001	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"360398"	1259.849651	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1506673"	659.431751	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"972874"	667.398051	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"123601"	635.387302	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"564620"	935.596252	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1033411"	335.178352	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1254820"	679.336785	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1318728"	681.392772	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1334033"	703.374729	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"924360"	713.403486	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1300700"	749.380164	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1381666"	565.405224	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1397091"	583.4152	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"297261"	1201.843076	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"680809"	1802.260976	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1357155"	601.425176	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"132240"	601.425176	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"572162"	901.634126	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1046064"	301.216226	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"209956"	401.285876	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"652430"	601.425176	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1171658"	201.146576	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"430559"	1218.869623	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"794832"	1819.287523	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1687157"	618.451723	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"336163"	609.9384495	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"729678"	910.1473995	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1483497"	309.7294995	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"397802"	1223.825018	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"759165"	1824.242918	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1612374"	623.407118	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"321316"	612.416147	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"709117"	912.625097	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1462332"	312.207197	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1057520"	208.47389	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1261751"	633.451386	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"379961"	1239.798958	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"742057"	1840.216858	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1542649"	639.381058	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"300921"	620.403117	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"692610"	920.612067	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1446183"	320.194167	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"237214"	1242.869626	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1211019"	642.451726	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1195143"	321.729501	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"189351"	1245.80696	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"631713"	1846.22486	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1134495"	645.38906	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"175234"	623.407118	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"618077"	923.616068	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1123770"	323.198168	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1402920"	215.801204	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1431388"	647.430646	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"222908"	628.44014	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1514980"	661.48269	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"410291"	631.394088	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"771286"	931.603038	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1666161"	331.185138	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"252075"	1264.851568	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1231594"	664.433668	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1719025"	664.457193	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1187662"	223.128518	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1663760"	669.412588	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"168445"	1277.75484	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"609098"	1878.17274	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1097253"	677.33694	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"154070"	639.381058	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"594117"	939.590008	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1079966"	339.172108	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1111717"	679.351492	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1347735"	679.439107	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1017356"	683.478276	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1536211"	684.471908	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"1003023"	342.242776	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1601171"	685.386528	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1427926"	715.418038	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1162505"	362.756051	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1709584"	732.444585	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1646327"	737.39998	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1581979"	753.37392	"C08606"	"Neoxanthin;all-trans-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"809064"	498.3498	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M"	0
"976034"	479.33141	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-H2O-H"	-19.01839
"67558"	331.225924	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M-3H"	-3.021828
"503591"	497.342524	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M-3H"	-3.021828
"882363"	165.109324	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-3H"	-3.021828
"1302"	497.342524	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M-2H"	-2.014552
"441227"	746.517424	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M-2H"	-2.014552
"817329"	248.167624	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-2H"	-2.014552
"78901"	995.692324	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M-H"	-1.007276
"520770"	1494.042124	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M-H"	-1.007276
"897595"	497.342524	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-H"	-1.007276
"50030"	1012.718871	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M-2H+NH4"	16.019271
"492144"	1511.068671	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M-2H+NH4"	16.019271
"866663"	514.369071	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-2H+NH4"	16.019271
"39304"	1017.674266	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M-2H+Na"	20.974666
"478499"	1516.024066	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M-2H+Na"	20.974666
"854114"	519.324466	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-2H+Na"	20.974666
"1620006"	519.324466	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Na-2H"	20.974666
"96170"	515.330863	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M-H+Cl"	33.962126
"536825"	764.505763	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M-H+Cl"	33.962126
"928275"	266.155963	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-H+Cl"	33.962126
"272910"	1031.669002	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+Cl"	34.969402
"661318"	1530.018802	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+Cl"	34.969402
"1275176"	533.319202	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Cl"	34.969402
"20293"	1033.648206	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M-2H+K"	36.948606
"459851"	1531.998006	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M-2H+K"	36.948606
"833643"	535.298406	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-2H+K"	36.948606
"1556167"	535.298406	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+K-2H"	36.948606
"957660"	543.347994	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-H+HCOOH"	44.998194
"376905"	1041.697801	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+HCOOH-H"	44.998201
"361115"	1055.713451	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+Hac-H"	59.013851
"1507634"	557.363651	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Hac-H"	59.013851
"973348"	565.329951	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-H+NaCOOH"	66.980151
"123711"	533.319202	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+2Cl"	69.938804
"565340"	782.494102	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+2Cl"	69.938804
"1033521"	284.144302	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2Cl"	69.938804
"1255659"	577.268685	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Br"	78.918885
"1319202"	579.324672	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Cl+HCOOH"	80.974872
"1334507"	601.306629	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Cl+NaCOOH"	102.956829
"925929"	611.335386	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M-H+CF3COOH"	112.985586
"1299717"	647.312064	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Cl+CF3COOH"	148.962264
"1381655"	463.337124	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H-2H2O"	-35.012676
"1397201"	481.3471	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H-H2O"	-17.0027
"297249"	997.706876	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+H"	1.007276
"680919"	1496.056676	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+H"	1.007276
"1355079"	499.357076	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H"	1.007276
"132349"	499.357076	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+2H"	2.014552
"571908"	748.531976	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+2H"	2.014552
"1046173"	250.182176	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2H"	2.014552
"208609"	333.240476	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+3H"	3.021828
"649625"	499.357076	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+3H"	3.021828
"1175050"	167.123876	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+3H"	3.021828
"429576"	1014.733423	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+NH4"	18.033823
"794579"	1513.083223	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+NH4"	18.033823
"1686903"	516.383623	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+NH4"	18.033823
"337366"	507.8703495	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+H+NH4"	19.041099
"731975"	757.0452495	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+H+NH4"	19.041099
"1483607"	258.6954495	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H+NH4"	19.041099
"401193"	1019.688818	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+Na"	22.989218
"758911"	1518.038618	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+Na"	22.989218
"1612484"	521.339018	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Na"	22.989218
"324706"	510.348047	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+H+Na"	23.996494
"708741"	759.522947	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+H+Na"	23.996494
"1464386"	261.173147	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H+Na"	23.996494
"1054474"	174.45119	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2H+Na"	25.00377
"1261498"	531.383286	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+CH3OH+H"	33.033486
"382258"	1035.662758	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+K"	38.963158
"741074"	1534.012558	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+K"	38.963158
"1540937"	537.312958	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+K"	38.963158
"299935"	518.335017	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+H+K"	39.970434
"691991"	767.509917	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+H+K"	39.970434
"1446415"	269.160117	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H+K"	39.970434
"236149"	1038.733426	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+ACN+H"	42.033826
"1211003"	540.383626	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+ACN+H"	42.033826
"1196101"	270.695451	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+ACN+2H"	43.041102
"189057"	1041.67076	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+2Na-H"	44.97116
"628985"	1540.02056	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+2Na-H"	44.97116
"1132053"	543.32096	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2Na-H"	44.97116
"173885"	521.339018	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+2Na"	45.978436
"618187"	770.513918	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+2Na"	45.978436
"1122786"	272.164118	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2Na"	45.978436
"1399990"	181.778504	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H+2Na"	46.985712
"1431865"	545.362546	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H+HCOOH"	47.012746
"220949"	526.37204	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+3H2O+2H"	56.04448
"1515088"	559.41459	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+IsoProp+H"	61.06479
"409670"	529.325988	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+Na+K"	61.952376
"772127"	778.500888	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+Na+K"	61.952376
"1667003"	280.151088	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Na+K"	61.952376
"252306"	1060.715368	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+ACN+Na"	64.015768
"1225636"	562.365568	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+ACN+Na"	64.015768
"1719135"	562.389093	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+NH4+HCOOH"	64.039293
"1185586"	189.105818	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+3Na"	68.967654
"1663870"	567.344488	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Na+HCOOH"	68.994688
"167462"	1073.61864	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+2K-H"	76.91904
"609206"	1571.96844	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+2K-H"	76.91904
"1097362"	575.26884	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2K-H"	76.91904
"154426"	537.312958	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"2M+2K"	77.926316
"595804"	786.487858	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"3M+2K"	77.926316
"1080805"	288.138058	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2K"	77.926316
"1113043"	577.283392	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2K+H"	78.933592
"1348934"	577.371007	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+DMSO+H"	79.021207
"1014186"	581.410176	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2ACN+H"	83.060376
"1535590"	582.403808	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+IsoProp+Na+H"	84.054008
"1003133"	291.208726	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+2ACN+2H"	84.067652
"1602008"	583.318428	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+K+HCOOH"	84.968628
"1428036"	613.349938	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+H+CF3COOH"	115.000138
"1162331"	311.722001	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+3ACN+2H"	125.094202
"1709694"	630.376485	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+NH4+CF3COOH"	132.026685
"1646437"	635.33188	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+Na+CF3COOH"	136.98208
"1582089"	651.30582	"C08607"	"Neurosporaxanthin;all-trans-Neurosporaxanthin"	"C35H46O2"	"498.3498"	"M+K+CF3COOH"	152.95602
"805894"	380.1988	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M"	0
"975779"	361.18041	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-H2O-H"	-19.01839
"67668"	252.458590666667	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M-3H"	-3.021828
"504310"	379.191524	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M-3H"	-3.021828
"880690"	125.725657333333	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-3H"	-3.021828
"803"	379.191524	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M-2H"	-2.014552
"440528"	569.290924	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M-2H"	-2.014552
"818778"	189.092124	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-2H"	-2.014552
"80227"	759.390324	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M-H"	-1.007276
"521609"	1139.589124	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M-H"	-1.007276
"897223"	379.191524	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-H"	-1.007276
"50867"	776.416871	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M-2H+NH4"	16.019271
"491523"	1156.615671	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M-2H+NH4"	16.019271
"868233"	396.218071	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-2H+NH4"	16.019271
"37956"	781.372266	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M-2H+Na"	20.974666
"478610"	1161.571066	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M-2H+Na"	20.974666
"854224"	401.173466	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-2H+Na"	20.974666
"1620480"	401.173466	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Na-2H"	20.974666
"97010"	397.179863	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M-H+Cl"	33.962126
"535111"	587.279263	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M-H+Cl"	33.962126
"927777"	207.080463	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-H+Cl"	33.962126
"269740"	795.367002	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+Cl"	34.969402
"660577"	1175.565802	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+Cl"	34.969402
"1274556"	415.168202	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Cl"	34.969402
"16385"	797.346206	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M-2H+K"	36.948606
"456111"	1177.545006	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M-2H+K"	36.948606
"833629"	417.147406	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-2H+K"	36.948606
"1557249"	417.147406	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+K-2H"	36.948606
"957851"	425.196994	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-H+HCOOH"	44.998194
"376119"	805.395801	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+HCOOH-H"	44.998201
"360369"	819.411451	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+Hac-H"	59.013851
"1507621"	439.212651	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Hac-H"	59.013851
"972729"	447.178951	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-H+NaCOOH"	66.980151
"124912"	415.168202	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+2Cl"	69.938804
"564111"	605.267602	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+2Cl"	69.938804
"1035342"	225.068802	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2Cl"	69.938804
"1256496"	459.117685	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Br"	78.918885
"1318947"	461.173672	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Cl+HCOOH"	80.974872
"1334980"	483.155629	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Cl+NaCOOH"	102.956829
"924213"	493.184386	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M-H+CF3COOH"	112.985586
"1300920"	529.161064	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Cl+CF3COOH"	148.962264
"1381160"	345.186124	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H-2H2O"	-35.012676
"1396579"	363.1961	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H-H2O"	-17.0027
"296992"	761.404876	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+H"	1.007276
"679935"	1141.603676	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+H"	1.007276
"1355188"	381.206076	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H"	1.007276
"131366"	381.206076	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+2H"	2.014552
"573111"	571.305476	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+2H"	2.014552
"1043004"	191.106676	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2H"	2.014552
"208354"	254.473142666667	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+3H"	3.021828
"653741"	381.206076	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+3H"	3.021828
"1168598"	127.740209333333	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+3H"	3.021828
"427495"	778.431423	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+NH4"	18.033823
"788490"	1158.630223	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+NH4"	18.033823
"1684823"	398.232623	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+NH4"	18.033823
"336383"	389.7193495	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+H+NH4"	19.041099
"734273"	579.8187495	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+H+NH4"	19.041099
"1481530"	199.6199495	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H+NH4"	19.041099
"400211"	783.386818	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+Na"	22.989218
"765580"	1163.585618	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+Na"	22.989218
"1610408"	403.188018	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Na"	22.989218
"322631"	392.197047	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+H+Na"	23.996494
"707882"	582.296447	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+H+Na"	23.996494
"1464498"	202.097647	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H+Na"	23.996494
"1054465"	135.067523333333	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2H+Na"	25.00377
"1261609"	413.232286	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+CH3OH+H"	33.033486
"379453"	799.360758	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+K"	38.963158
"738707"	1179.559558	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+K"	38.963158
"1540002"	419.161958	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+K"	38.963158
"298802"	400.184017	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+H+K"	39.970434
"691378"	590.283417	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+H+K"	39.970434
"1445722"	210.084617	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H+K"	39.970434
"236095"	802.431426	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+ACN+H"	42.033826
"1211597"	422.232626	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+ACN+H"	42.033826
"1194874"	211.619951	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+ACN+2H"	43.041102
"189692"	805.36876	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+2Na-H"	44.97116
"631193"	1185.56756	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+2Na-H"	44.97116
"1132402"	425.16996	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2Na-H"	44.97116
"173341"	403.188018	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+2Na"	45.978436
"613553"	593.287418	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+2Na"	45.978436
"1117790"	213.088618	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2Na"	45.978436
"1400951"	142.394837333333	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H+2Na"	46.985712
"1430996"	427.211546	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H+HCOOH"	47.012746
"221422"	408.22104	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+3H2O+2H"	56.04448
"1510454"	441.26359	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+IsoProp+H"	61.06479
"409779"	411.174988	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+Na+K"	61.952376
"772603"	601.274388	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+Na+K"	61.952376
"1667839"	221.075588	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Na+K"	61.952376
"251932"	824.413368	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+ACN+Na"	64.015768
"1225659"	444.214568	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+ACN+Na"	64.015768
"1714624"	444.238093	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+NH4+HCOOH"	64.039293
"1179857"	149.722151333333	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+3Na"	68.967654
"1653401"	449.193488	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Na+HCOOH"	68.994688
"171580"	837.31664	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+2K-H"	76.91904
"611504"	1217.51544	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+2K-H"	76.91904
"1098927"	457.11784	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2K-H"	76.91904
"155265"	419.161958	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"2M+2K"	77.926316
"596030"	609.261358	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"3M+2K"	77.926316
"1083341"	229.062558	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2K"	77.926316
"1112663"	459.132392	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2K+H"	78.933592
"1347950"	459.220007	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+DMSO+H"	79.021207
"1015389"	463.259176	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2ACN+H"	83.060376
"1532420"	464.252808	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+IsoProp+Na+H"	84.054008
"1004700"	232.133226	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+2ACN+2H"	84.067652
"1601997"	465.167428	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+K+HCOOH"	84.968628
"1428874"	495.198938	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+H+CF3COOH"	115.000138
"1162699"	252.646501	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+3ACN+2H"	125.094202
"1707616"	512.225485	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+NH4+CF3COOH"	132.026685
"1643267"	517.18088	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+Na+CF3COOH"	136.98208
"1582199"	533.15482	"C08608"	"Norbixin"	"C24H28O4"	"380.1988"	"M+K+CF3COOH"	152.95602
"806004"	1044.8874	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M"	0
"975282"	1025.86901	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-H2O-H"	-19.01839
"67778"	695.584324	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M-3H"	-3.021828
"507335"	1043.880124	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M-3H"	-3.021828
"881003"	347.288524	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-3H"	-3.021828
"1277"	1043.880124	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M-2H"	-2.014552
"441085"	1566.323824	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M-2H"	-2.014552
"819981"	521.436424	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-2H"	-2.014552
"81066"	2088.767524	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M-H"	-1.007276
"520990"	3133.654924	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M-H"	-1.007276
"897699"	1043.880124	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-H"	-1.007276
"51709"	2105.794071	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M-2H+NH4"	16.019271
"492362"	3150.681471	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M-2H+NH4"	16.019271
"869072"	1060.906671	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-2H+NH4"	16.019271
"38067"	2110.749466	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M-2H+Na"	20.974666
"476533"	3155.636866	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M-2H+Na"	20.974666
"852510"	1065.862066	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-2H+Na"	20.974666
"1622778"	1065.862066	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Na-2H"	20.974666
"103680"	1061.868463	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M-H+Cl"	33.962126
"536680"	1584.312163	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M-H+Cl"	33.962126
"935663"	539.424763	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-H+Cl"	33.962126
"267181"	2124.744202	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+Cl"	34.969402
"662387"	3169.631602	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+Cl"	34.969402
"1274303"	1079.856802	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Cl"	34.969402
"17347"	2126.723406	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M-2H+K"	36.948606
"457028"	3171.610806	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M-2H+K"	36.948606
"833243"	1081.836006	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-2H+K"	36.948606
"1564650"	1081.836006	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+K-2H"	36.948606
"956544"	1089.885594	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-H+HCOOH"	44.998194
"376715"	2134.773001	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+HCOOH-H"	44.998201
"358649"	2148.788651	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+Hac-H"	59.013851
"1506021"	1103.901251	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Hac-H"	59.013851
"972103"	1111.867551	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-H+NaCOOH"	66.980151
"124289"	1079.856802	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+2Cl"	69.938804
"560568"	1602.300502	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+2Cl"	69.938804
"1031554"	557.413102	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2Cl"	69.938804
"1255874"	1123.806285	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Br"	78.918885
"1319050"	1125.862272	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Cl+HCOOH"	80.974872
"1328891"	1147.844229	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Cl+NaCOOH"	102.956829
"921041"	1157.872986	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M-H+CF3COOH"	112.985586
"1301028"	1193.849664	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Cl+CF3COOH"	148.962264
"1380287"	1009.874724	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H-2H2O"	-35.012676
"1393406"	1027.8847	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H-H2O"	-17.0027
"290905"	2090.782076	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+H"	1.007276
"677857"	3135.669476	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+H"	1.007276
"1353838"	1045.894676	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H"	1.007276
"133661"	1045.894676	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+2H"	2.014552
"574314"	1568.338376	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+2H"	2.014552
"1045300"	523.450976	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2H"	2.014552
"213202"	697.598876	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+3H"	3.021828
"652757"	1045.894676	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+3H"	3.021828
"1166521"	349.303076	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+3H"	3.021828
"428699"	2107.808623	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+NH4"	18.033823
"791879"	3152.696023	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+NH4"	18.033823
"1684202"	1062.921223	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+NH4"	18.033823
"333576"	1054.4079495	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+H+NH4"	19.041099
"733287"	1576.8516495	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+H+NH4"	19.041099
"1480544"	531.9642495	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H+NH4"	19.041099
"401414"	2112.764018	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+Na"	22.989218
"763501"	3157.651418	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+Na"	22.989218
"1613798"	1067.876618	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Na"	22.989218
"325657"	1056.885647	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+H+Na"	23.996494
"711882"	1579.329347	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+H+Na"	23.996494
"1465703"	534.441947	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H+Na"	23.996494
"1060044"	356.63039	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2H+Na"	25.00377
"1262813"	1077.920886	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+CH3OH+H"	33.033486
"381749"	2128.737958	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+K"	38.963158
"741290"	3173.625358	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+K"	38.963158
"1540426"	1083.850558	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+K"	38.963158
"298654"	1064.872617	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+H+K"	39.970434
"691800"	1587.316317	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+H+K"	39.970434
"1445716"	542.428917	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H+K"	39.970434
"235965"	2131.808626	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+ACN+H"	42.033826
"1211344"	1086.921226	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+ACN+H"	42.033826
"1194863"	543.964251	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+ACN+2H"	43.041102
"190288"	2134.74596	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+2Na-H"	44.97116
"631303"	3179.63336	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+2Na-H"	44.97116
"1132637"	1089.85856	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2Na-H"	44.97116
"173616"	1067.876618	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+2Na"	45.978436
"613178"	1590.320318	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+2Na"	45.978436
"1121911"	545.432918	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2Na"	45.978436
"1403248"	363.957704	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H+2Na"	46.985712
"1435364"	1091.900146	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H+HCOOH"	47.012746
"222873"	1072.90964	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+3H2O+2H"	56.04448
"1515308"	1105.95219	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+IsoProp+H"	61.06479
"409771"	1075.863588	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+Na+K"	61.952376
"770890"	1598.307288	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+Na+K"	61.952376
"1667950"	553.419888	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Na+K"	61.952376
"252288"	2153.790568	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+ACN+Na"	64.015768
"1226046"	1108.903168	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+ACN+Na"	64.015768
"1713883"	1108.926693	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+NH4+HCOOH"	64.039293
"1180332"	371.285018	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+3Na"	68.967654
"1654604"	1113.882088	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Na+HCOOH"	68.994688
"168034"	2166.69384	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+2K-H"	76.91904
"609419"	3211.58124	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+2K-H"	76.91904
"1097578"	1121.80644	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2K-H"	76.91904
"156218"	1083.850558	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"2M+2K"	77.926316
"595412"	1606.294258	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"3M+2K"	77.926316
"1082114"	561.406858	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2K"	77.926316
"1112043"	1123.820992	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2K+H"	78.933592
"1348060"	1123.908607	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+DMSO+H"	79.021207
"1015498"	1127.947776	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2ACN+H"	83.060376
"1533624"	1128.941408	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+IsoProp+Na+H"	84.054008
"1005173"	564.477526	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+2ACN+2H"	84.067652
"1600042"	1129.856028	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+K+HCOOH"	84.968628
"1427887"	1159.887538	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+H+CF3COOH"	115.000138
"1162715"	584.990801	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+3ACN+2H"	125.094202
"1705539"	1176.914085	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+NH4+CF3COOH"	132.026685
"1643376"	1181.86948	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+Na+CF3COOH"	136.98208
"1582309"	1197.84342	"C08609"	"Physalien;Zeaxanthin dipalmitate"	"C72H116O4"	"1044.8874"	"M+K+CF3COOH"	152.95602
"812676"	562.3811	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M"	0
"982928"	543.36271	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-H2O-H"	-19.01839
"67889"	373.913457333333	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M-3H"	-3.021828
"504533"	561.373824	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M-3H"	-3.021828
"883061"	186.453090666667	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-3H"	-3.021828
"3823"	561.373824	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M-2H"	-2.014552
"443386"	842.564374	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M-2H"	-2.014552
"820460"	280.183274	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-2H"	-2.014552
"82273"	1123.754924	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M-H"	-1.007276
"522924"	1686.136024	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M-H"	-1.007276
"898544"	561.373824	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-H"	-1.007276
"52913"	1140.781471	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M-2H+NH4"	16.019271
"492474"	1703.162571	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M-2H+NH4"	16.019271
"869185"	578.400371	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-2H+NH4"	16.019271
"37084"	1145.736866	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M-2H+Na"	20.974666
"482110"	1708.117966	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M-2H+Na"	20.974666
"861735"	583.355766	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-2H+Na"	20.974666
"1619243"	583.355766	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Na-2H"	20.974666
"96135"	579.362163	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M-H+Cl"	33.962126
"535089"	860.552713	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M-H+Cl"	33.962126
"932491"	298.171613	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-H+Cl"	33.962126
"274335"	1159.731602	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+Cl"	34.969402
"665662"	1722.112702	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+Cl"	34.969402
"1275148"	597.350502	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Cl"	34.969402
"18434"	1161.710806	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M-2H+K"	36.948606
"460183"	1724.091906	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M-2H+K"	36.948606
"840171"	599.329706	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-2H+K"	36.948606
"1564760"	599.329706	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+K-2H"	36.948606
"957510"	607.379294	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-H+HCOOH"	44.998194
"376341"	1169.760401	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+HCOOH-H"	44.998201
"360223"	1183.776051	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+Hac-H"	59.013851
"1506862"	621.394951	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Hac-H"	59.013851
"972951"	629.361251	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-H+NaCOOH"	66.980151
"124046"	597.350502	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+2Cl"	69.938804
"563966"	878.541052	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+2Cl"	69.938804
"1036739"	316.159952	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2Cl"	69.938804
"1255991"	641.299985	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Br"	78.918885
"1319736"	643.355972	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Cl+HCOOH"	80.974872
"1335527"	665.337929	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Cl+NaCOOH"	102.956829
"926785"	675.366686	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M-H+CF3COOH"	112.985586
"1302965"	711.343364	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Cl+CF3COOH"	148.962264
"1382474"	527.368424	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H-2H2O"	-35.012676
"1398444"	545.3784	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H-H2O"	-17.0027
"297823"	1125.769476	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+H"	1.007276
"685623"	1688.150576	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+H"	1.007276
"1357596"	563.388376	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H"	1.007276
"131587"	563.388376	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+2H"	2.014552
"568959"	844.578926	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+2H"	2.014552
"1041037"	282.197826	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2H"	2.014552
"211126"	375.928009333333	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+3H"	3.021828
"652872"	563.388376	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+3H"	3.021828
"1167727"	188.467642666667	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+3H"	3.021828
"428812"	1142.796023	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+NH4"	18.033823
"794179"	1705.177123	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+NH4"	18.033823
"1687231"	580.414923	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+NH4"	18.033823
"332229"	571.9016495	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+H+NH4"	19.041099
"727930"	853.0921995	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+H+NH4"	19.041099
"1483938"	290.7110995	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H+NH4"	19.041099
"401525"	1147.751418	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+Na"	22.989218
"763612"	1710.132518	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+Na"	22.989218
"1618167"	585.370318	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Na"	22.989218
"326131"	574.379347	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+H+Na"	23.996494
"716374"	855.569897	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+H+Na"	23.996494
"1471287"	293.188797	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H+Na"	23.996494
"1062345"	195.794956666667	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2H+Na"	25.00377
"1266207"	595.414586	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+CH3OH+H"	33.033486
"385878"	1163.725358	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+K"	38.963158
"744685"	1726.106458	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+K"	38.963158
"1543458"	601.344258	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+K"	38.963158
"303186"	582.366317	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+H+K"	39.970434
"696336"	863.556867	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+H+K"	39.970434
"1450156"	301.175767	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H+K"	39.970434
"242038"	1166.796026	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+ACN+H"	42.033826
"1212194"	604.414926	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+ACN+H"	42.033826
"1198631"	302.711101	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+ACN+2H"	43.041102
"189675"	1169.73336	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+2Na-H"	44.97116
"632154"	1732.11446	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+2Na-H"	44.97116
"1137854"	607.35226	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2Na-H"	44.97116
"177864"	585.370318	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+2Na"	45.978436
"621798"	866.560868	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+2Na"	45.978436
"1126399"	304.179768	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2Na"	45.978436
"1405547"	203.122270666667	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H+2Na"	46.985712
"1432197"	609.393846	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H+HCOOH"	47.012746
"229545"	590.40334	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+3H2O+2H"	56.04448
"1515419"	623.44589	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+IsoProp+H"	61.06479
"409641"	593.357288	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+Na+K"	61.952376
"772457"	874.547838	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+Na+K"	61.952376
"1666480"	312.166738	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Na+K"	61.952376
"256770"	1188.777968	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+ACN+Na"	64.015768
"1225707"	626.396868	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+ACN+Na"	64.015768
"1713631"	626.420393	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+NH4+HCOOH"	64.039293
"1181530"	210.449584666667	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+3Na"	68.967654
"1655810"	631.375788	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Na+HCOOH"	68.994688
"168144"	1201.68124	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+2K-H"	76.91904
"608073"	1764.06234	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+2K-H"	76.91904
"1097688"	639.30014	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2K-H"	76.91904
"154140"	601.344258	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"2M+2K"	77.926316
"595769"	882.534808	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"3M+2K"	77.926316
"1081493"	320.153708	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2K"	77.926316
"1110330"	641.314692	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2K+H"	78.933592
"1345988"	641.402307	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+DMSO+H"	79.021207
"1017798"	645.441476	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2ACN+H"	83.060376
"1531547"	646.435108	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+IsoProp+Na+H"	84.054008
"1002368"	323.224376	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+2ACN+2H"	84.067652
"1600153"	647.349728	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+K+HCOOH"	84.968628
"1427998"	677.381238	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+H+CF3COOH"	115.000138
"1159380"	343.737651	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+3ACN+2H"	125.094202
"1706743"	694.407785	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+NH4+CF3COOH"	132.026685
"1640206"	699.36318	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+Na+CF3COOH"	136.98208
"1582419"	715.33712	"C08610"	"Rhodoxanthin"	"C40H50O2"	"562.3811"	"M+K+CF3COOH"	152.95602
"806225"	552.4331	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M"	0
"976110"	533.41471	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"65084"	367.281457333333	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"503306"	551.425824	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"883173"	183.137090666667	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"2839"	551.425824	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"441673"	827.642374	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"821659"	275.209274	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"79104"	1103.858924	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"521214"	1656.292024	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"899019"	551.425824	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"50475"	1120.885471	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"492585"	1673.318571	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"871481"	568.452371	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"40477"	1125.840866	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"477850"	1678.273966	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"857838"	573.407766	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1623000"	573.407766	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"99528"	569.414163	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"541277"	845.630713	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"933697"	293.197613	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"272622"	1139.835602	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"662856"	1692.268702	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1277081"	587.402502	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"20732"	1141.814806	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"462479"	1694.247906	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"840282"	589.381706	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1561585"	589.381706	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"950564"	597.431294	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"376088"	1149.864401	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"361238"	1163.880051	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1505515"	611.446951	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"968318"	619.413251	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"122330"	587.402502	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"564685"	863.619052	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1035064"	311.185952	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1253184"	631.351985	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1317817"	633.407972	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1333853"	655.389929	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"926134"	665.418686	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1303978"	701.395364	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1377958"	517.420424	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1395453"	535.4304	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"296235"	1105.873476	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"689750"	1658.306576	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1360989"	553.440376	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H"	1.007276
"133886"	553.440376	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"573446"	829.656926	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1046618"	277.223826	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"211239"	369.296009333333	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"654077"	553.440376	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1168930"	185.151642666667	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"427828"	1122.900023	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"793196"	1675.333123	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1687340"	570.466923	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"334527"	561.9536495	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"728041"	838.1701995	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1481862"	285.7370995	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"401635"	1127.855418	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"763722"	1680.288518	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1618032"	575.422318	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"329286"	564.431347	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"719763"	840.647897	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1474677"	288.214797	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1063548"	192.478956666667	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1270692"	585.466586	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"389265"	1143.829358	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"741517"	1696.262458	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1544663"	591.396258	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+K"	38.963158
"301842"	572.418317	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"695353"	848.634867	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1449173"	296.201767	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"242148"	1146.900026	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1214857"	594.466926	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1199105"	297.737101	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"190516"	1149.83736	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"630440"	1702.27046	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1133591"	597.40426	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"182349"	575.422318	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"619723"	851.638868	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1126509"	299.205768	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1412218"	199.806270666667	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1441054"	599.445846	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"228561"	580.45534	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1515530"	613.49789	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"410479"	583.409288	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"773297"	859.625838	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1668535"	307.192738	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"256880"	1168.881968	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1227766"	616.448868	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1714467"	616.472393	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1182369"	207.133584666667	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1655919"	621.427788	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"170076"	1181.78524	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"610728"	1734.21834	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1095609"	629.35214	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"154614"	591.396258	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"594901"	867.612808	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1080872"	315.179708	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1112987"	631.366692	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1348642"	631.454307	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1017906"	635.493476	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1538220"	636.487108	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1002845"	318.250376	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1600261"	637.401728	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1424826"	667.433238	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1156208"	338.763651	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1705759"	684.459785	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1643597"	689.41518	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1582529"	705.38912	"C08611"	"Rubixanthin"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"806334"	743.2035	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M"	0
"977678"	724.18511	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-H2O-H"	-19.01839
"69202"	494.461724	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M-3H"	-3.021828
"507669"	742.196224	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M-3H"	-3.021828
"883283"	246.727224	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-3H"	-3.021828
"2951"	742.196224	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M-2H"	-2.014552
"441784"	1113.797974	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M-2H"	-2.014552
"821408"	370.594474	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-2H"	-2.014552
"85776"	1485.399724	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M-H"	-1.007276
"520962"	2228.603224	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M-H"	-1.007276
"898032"	742.196224	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-H"	-1.007276
"50222"	1502.426271	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M-2H+NH4"	16.019271
"491966"	2245.629771	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M-2H+NH4"	16.019271
"869405"	759.222771	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-2H+NH4"	16.019271
"42774"	1507.381666	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M-2H+Na"	20.974666
"482334"	2250.585166	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M-2H+Na"	20.974666
"860135"	764.178166	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-2H+Na"	20.974666
"1626391"	764.178166	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Na-2H"	20.974666
"100732"	760.184563	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M-H+Cl"	33.962126
"545761"	1131.786313	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M-H+Cl"	33.962126
"939275"	388.582813	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-H+Cl"	33.962126
"269815"	1521.376402	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+Cl"	34.969402
"665882"	2264.579902	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+Cl"	34.969402
"1279378"	778.172902	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Cl"	34.969402
"21936"	1523.355606	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M-2H+K"	36.948606
"461497"	2266.559106	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M-2H+K"	36.948606
"841486"	780.152106	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-2H+K"	36.948606
"1560601"	780.152106	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+K-2H"	36.948606
"950674"	788.201694	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-H+HCOOH"	44.998194
"376593"	1531.405201	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+HCOOH-H"	44.998201
"361173"	1545.420851	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+Hac-H"	59.013851
"1508287"	802.217351	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Hac-H"	59.013851
"974089"	810.183651	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-H+NaCOOH"	66.980151
"124264"	778.172902	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+2Cl"	69.938804
"565042"	1149.774652	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+2Cl"	69.938804
"1036146"	406.571152	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2Cl"	69.938804
"1250375"	822.122385	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Br"	78.918885
"1316103"	824.178372	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Cl+HCOOH"	80.974872
"1333962"	846.160329	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Cl+NaCOOH"	102.956829
"926847"	856.189086	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M-H+CF3COOH"	112.985586
"1304075"	892.165764	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Cl+CF3COOH"	148.962264
"1376245"	708.190824	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H-2H2O"	-35.012676
"1395199"	726.2008	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H-H2O"	-17.0027
"298362"	1487.414276	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+H"	1.007276
"689860"	2230.617776	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+H"	1.007276
"1361099"	744.210776	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H"	1.007276
"131809"	744.210776	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+2H"	2.014552
"573556"	1115.812526	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+2H"	2.014552
"1043447"	372.609026	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2H"	2.014552
"210256"	496.476276	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+3H"	3.021828
"654187"	744.210776	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+3H"	3.021828
"1169040"	248.741776	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+3H"	3.021828
"431218"	1504.440823	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+NH4"	18.033823
"790026"	2247.644323	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+NH4"	18.033823
"1686357"	761.237323	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+NH4"	18.033823
"336823"	752.7240495	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+H+NH4"	19.041099
"730338"	1124.3257995	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+H+NH4"	19.041099
"1483795"	381.1222995	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H+NH4"	19.041099
"401746"	1509.396218	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+Na"	22.989218
"765655"	2252.599718	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+Na"	22.989218
"1618271"	766.192718	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Na"	22.989218
"329641"	755.201747	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+H+Na"	23.996494
"719874"	1126.803497	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+H+Na"	23.996494
"1476811"	383.599997	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H+Na"	23.996494
"1065846"	256.06909	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2H+Na"	25.00377
"1271735"	776.236986	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+CH3OH+H"	33.033486
"390468"	1525.370158	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+K"	38.963158
"743816"	2268.573658	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+K"	38.963158
"1546961"	782.166658	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+K"	38.963158
"308508"	763.188717	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+H+K"	39.970434
"699837"	1134.790467	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+H+K"	39.970434
"1449283"	391.586967	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H+K"	39.970434
"244445"	1528.440826	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+ACN+H"	42.033826
"1213874"	785.237326	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+ACN+H"	42.033826
"1198122"	393.122301	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+ACN+2H"	43.041102
"189898"	1531.37816	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+2Na-H"	44.97116
"629336"	2274.58166	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+2Na-H"	44.97116
"1139167"	788.17466	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2Na-H"	44.97116
"183552"	766.192718	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+2Na"	45.978436
"626758"	1137.794468	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+2Na"	45.978436
"1127714"	394.590968	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2Na"	45.978436
"1412329"	263.396404	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H+2Na"	46.985712
"1443718"	790.216246	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H+HCOOH"	47.012746
"231952"	771.22574	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+3H2O+2H"	56.04448
"1520014"	804.26829	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+IsoProp+H"	61.06479
"413140"	774.179688	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+Na+K"	61.952376
"778510"	1145.781438	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+Na+K"	61.952376
"1671562"	402.577938	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Na+K"	61.952376
"259178"	1550.422768	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+ACN+Na"	64.015768
"1234072"	807.219268	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+ACN+Na"	64.015768
"1717856"	807.242793	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+NH4+HCOOH"	64.039293
"1183938"	270.723718	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+3Na"	68.967654
"1656029"	812.198188	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Na+HCOOH"	68.994688
"170550"	1563.32604	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+2K-H"	76.91904
"609016"	2306.52954	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+2K-H"	76.91904
"1096448"	820.12254	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2K-H"	76.91904
"153626"	782.166658	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"2M+2K"	77.926316
"592094"	1153.768408	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"3M+2K"	77.926316
"1078795"	410.564908	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2K"	77.926316
"1109817"	822.137092	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2K+H"	78.933592
"1345107"	822.224707	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+DMSO+H"	79.021207
"1017287"	826.263876	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2ACN+H"	83.060376
"1537237"	827.257508	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+IsoProp+Na+H"	84.054008
"1002589"	413.635576	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+2ACN+2H"	84.067652
"1599277"	828.172128	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+K+HCOOH"	84.968628
"1424936"	858.203638	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+H+CF3COOH"	115.000138
"1155224"	434.148851	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+3ACN+2H"	125.094202
"1705869"	875.230185	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+NH4+CF3COOH"	132.026685
"1640426"	880.18558	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+Na+CF3COOH"	136.98208
"1582639"	896.15952	"C08612"	"Cyanidin 3-O-(6-glucosyl-2-xylosylgalactoside);Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)"	"C32H39O20"	"743.2035"	"M+K+CF3COOH"	152.95602
"806444"	534.4226	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M"	0
"977788"	515.40421	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-H2O-H"	-19.01839
"66031"	355.274457333333	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M-3H"	-3.021828
"503116"	533.415324	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M-3H"	-3.021828
"884486"	177.133590666667	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-3H"	-3.021828
"125"	533.415324	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M-2H"	-2.014552
"442623"	800.626624	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M-2H"	-2.014552
"819331"	266.204024	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-2H"	-2.014552
"83700"	1067.837924	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M-H"	-1.007276
"519250"	1602.260524	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M-H"	-1.007276
"895832"	533.415324	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-H"	-1.007276
"48875"	1084.864471	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M-2H+NH4"	16.019271
"488433"	1619.287071	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M-2H+NH4"	16.019271
"866236"	550.441871	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-2H+NH4"	16.019271
"42884"	1089.819866	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M-2H+Na"	20.974666
"482444"	1624.242466	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M-2H+Na"	20.974666
"860245"	555.397266	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-2H+Na"	20.974666
"1625408"	555.397266	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Na-2H"	20.974666
"107402"	551.403663	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M-H+Cl"	33.962126
"544776"	818.614963	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M-H+Cl"	33.962126
"940843"	284.192363	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-H+Cl"	33.962126
"273569"	1103.814602	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+Cl"	34.969402
"661618"	1638.237202	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+Cl"	34.969402
"1279488"	569.392002	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Cl"	34.969402
"19859"	1105.793806	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M-2H+K"	36.948606
"460514"	1640.216406	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M-2H+K"	36.948606
"837223"	571.371206	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-2H+K"	36.948606
"1560710"	571.371206	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+K-2H"	36.948606
"954064"	579.420794	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-H+HCOOH"	44.998194
"375807"	1113.843401	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+HCOOH-H"	44.998201
"359088"	1127.859051	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+Hac-H"	59.013851
"1508207"	593.436451	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Hac-H"	59.013851
"973521"	601.402751	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-H+NaCOOH"	66.980151
"124372"	569.392002	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+2Cl"	69.938804
"565020"	836.603302	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+2Cl"	69.938804
"1035647"	302.180702	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2Cl"	69.938804
"1249390"	613.341485	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Br"	78.918885
"1314026"	615.397472	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Cl+HCOOH"	80.974872
"1329333"	637.379429	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Cl+NaCOOH"	102.956829
"926104"	647.408186	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M-H+CF3COOH"	112.985586
"1303906"	683.384864	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Cl+CF3COOH"	148.962264
"1375991"	499.409924	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H-2H2O"	-35.012676
"1395674"	517.4199	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H-H2O"	-17.0027
"297793"	1069.852476	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+H"	1.007276
"689241"	1604.275076	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+H"	1.007276
"1361209"	535.429876	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H"	1.007276
"131919"	535.429876	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+2H"	2.014552
"571478"	802.641176	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+2H"	2.014552
"1042829"	268.218576	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2H"	2.014552
"209272"	357.289009333333	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+3H"	3.021828
"652111"	535.429876	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+3H"	3.021828
"1169150"	179.148142666667	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+3H"	3.021828
"432422"	1086.879023	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+NH4"	18.033823
"794510"	1621.301623	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+NH4"	18.033823
"1686467"	552.456423	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+NH4"	18.033823
"334746"	543.9431495	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+H+NH4"	19.041099
"728261"	811.1544495	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+H+NH4"	19.041099
"1483176"	276.7318495	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H+NH4"	19.041099
"398574"	1091.834418	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+Na"	22.989218
"757381"	1626.257018	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+Na"	22.989218
"1618178"	557.411818	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Na"	22.989218
"329792"	546.420847	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+H+Na"	23.996494
"719981"	813.632147	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+H+Na"	23.996494
"1474894"	279.209547	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H+Na"	23.996494
"1064861"	186.475456666667	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2H+Na"	25.00377
"1270912"	567.456086	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+CH3OH+H"	33.033486
"387298"	1107.808358	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+K"	38.963158
"747205"	1642.230958	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+K"	38.963158
"1548165"	573.385758	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+K"	38.963158
"309714"	554.407817	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+H+K"	39.970434
"696667"	821.619117	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+H+K"	39.970434
"1449393"	287.196517	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H+K"	39.970434
"242368"	1110.879026	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+ACN+H"	42.033826
"1215078"	576.456426	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+ACN+H"	42.033826
"1196410"	288.731851	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+ACN+2H"	43.041102
"190374"	1113.81636	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+2Na-H"	44.97116
"629568"	1648.23896	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+2Na-H"	44.97116
"1138184"	579.39376	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2Na-H"	44.97116
"182569"	557.411818	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+2Na"	45.978436
"624317"	824.623118	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+2Na"	45.978436
"1130376"	290.200518	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2Na"	45.978436
"1412439"	193.802770666667	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H+2Na"	46.985712
"1442366"	581.435346	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H+HCOOH"	47.012746
"232062"	562.44484	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+3H2O+2H"	56.04448
"1519031"	595.48739	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+IsoProp+H"	61.06479
"419812"	565.398788	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+Na+K"	61.952376
"781901"	832.610088	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+Na+K"	61.952376
"1672766"	298.187488	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Na+K"	61.952376
"260381"	1132.860968	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+ACN+Na"	64.015768
"1233090"	598.438368	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+ACN+Na"	64.015768
"1718695"	598.461893	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+NH4+HCOOH"	64.039293
"1183319"	201.130084666667	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+3Na"	68.967654
"1655046"	603.417288	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Na+HCOOH"	68.994688
"169566"	1145.76424	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+2K-H"	76.91904
"611312"	1680.18684	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+2K-H"	76.91904
"1097287"	611.34164	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2K-H"	76.91904
"150454"	573.385758	"C08613"	"Torulene"	"C40H54"	"534.4226"	"2M+2K"	77.926316
"590013"	840.597058	"C08613"	"Torulene"	"C40H54"	"534.4226"	"3M+2K"	77.926316
"1077811"	306.174458	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2K"	77.926316
"1109926"	613.356192	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2K+H"	78.933592
"1343029"	613.443807	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+DMSO+H"	79.021207
"1018126"	617.482976	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2ACN+H"	83.060376
"1537712"	618.476608	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+IsoProp+Na+H"	84.054008
"1001606"	309.245126	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+2ACN+2H"	84.067652
"1600482"	619.391228	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+K+HCOOH"	84.968628
"1425046"	649.422738	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+H+CF3COOH"	115.000138
"1156427"	329.758401	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+3ACN+2H"	125.094202
"1702698"	666.449285	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+NH4+CF3COOH"	132.026685
"1642723"	671.40468	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+Na+CF3COOH"	136.98208
"1582749"	687.37862	"C08613"	"Torulene"	"C40H54"	"534.4226"	"M+K+CF3COOH"	152.95602
"806554"	600.4179	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M"	0
"976805"	581.39951	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"63954"	399.271324	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"503047"	599.410624	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"880586"	199.132024	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"985"	599.410624	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"442733"	899.619574	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"820535"	299.201674	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"84174"	1199.828524	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"520453"	1800.246424	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"895750"	599.410624	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"48256"	1216.855071	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"488904"	1817.272971	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"871813"	616.437171	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"39714"	1221.810466	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"484377"	1822.228366	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"859262"	621.392566	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1626610"	621.392566	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"100952"	617.398963	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"543793"	917.607913	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"941197"	317.190013	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"276957"	1235.805202	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"663912"	1836.223102	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1276318"	635.387302	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"19969"	1237.784406	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"461717"	1838.202306	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"837697"	637.366506	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1567022"	637.366506	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"954174"	645.416094	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"376780"	1245.834001	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"360051"	1259.849651	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1508402"	659.431751	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"973631"	667.398051	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"125088"	635.387302	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"564400"	935.596252	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1035758"	335.178352	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1255698"	679.336785	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1316321"	681.392772	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1328350"	703.374729	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"924875"	713.403486	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1303650"	749.380164	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1376465"	565.405224	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1395784"	583.4152	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"296200"	1201.843076	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"688984"	1802.260976	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1358039"	601.425176	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"129839"	601.425176	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"569403"	901.634126	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1041845"	301.216226	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"210475"	401.285876	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"652221"	601.425176	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1169260"	201.146576	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"431441"	1218.869623	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"789155"	1819.287523	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1685486"	618.451723	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"330967"	609.9384495	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"723266"	910.1473995	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1482193"	309.7294995	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"395404"	1223.825018	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"754937"	1824.242918	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1618124"	623.407118	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"328642"	612.416147	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"720094"	912.625097	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1475004"	312.207197	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1066063"	208.47389	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1271629"	633.451386	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"389596"	1239.798958	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"744035"	1840.216858	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1547182"	639.381058	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"307637"	620.403117	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"696777"	920.612067	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1449503"	320.194167	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"238104"	1242.869626	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1214094"	642.451726	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1196886"	321.729501	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"190484"	1245.80696	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"630770"	1846.22486	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1138296"	645.38906	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"179399"	623.407118	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"618959"	923.616068	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1124651"	323.198168	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1409998"	215.801204	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1439196"	647.430646	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"232904"	628.44014	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1522421"	661.48269	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"417736"	631.394088	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"784198"	931.603038	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1672875"	331.185138	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"258304"	1264.851568	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1231377"	664.433668	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1717710"	664.457193	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1181242"	223.128518	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1656249"	669.412588	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"169676"	1277.75484	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"610695"	1878.17274	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1094843"	677.33694	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"151658"	639.381058	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"591216"	939.590008	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1076828"	339.172108	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1108943"	679.351492	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1343139"	679.439107	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1016043"	683.478276	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1537093"	684.471908	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"1002445"	342.242776	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1599498"	685.386528	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1429615"	715.418038	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1156537"	362.756051	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1703901"	732.444585	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1640646"	737.39998	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1582859"	753.37392	"C08614"	"Violaxanthin;all-trans-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"806665"	426.3862	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M"	0
"976917"	407.36781	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"64064"	283.250190666667	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"503611"	425.378924	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"882522"	141.121457333333	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"488"	425.378924	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"441750"	638.572024	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"823925"	212.185824	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"86107"	851.765124	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"519106"	1278.151324	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"896907"	425.378924	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"48244"	868.791671	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"489499"	1295.177871	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"868643"	442.405471	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"39824"	873.747066	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"485216"	1300.133266	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"860465"	447.360866	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1623440"	447.360866	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"97782"	443.367263	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"539530"	656.560363	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"937418"	230.174163	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"277067"	887.741802	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"661836"	1314.128002	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1273269"	461.355602	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"18986"	889.721006	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"457454"	1316.107206	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"836350"	463.334806	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1567132"	463.334806	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"954284"	471.384394	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"376405"	897.770601	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"359309"	911.786251	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1507782"	485.400051	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"973742"	493.366351	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"124226"	461.355602	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"563053"	674.548702	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1034039"	248.162502	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1256498"	505.305085	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1314975"	507.361072	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1333200"	529.343029	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"923165"	539.371786	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1302790"	575.348464	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1373295"	391.373524	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1396139"	409.3835	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"295581"	853.779676	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"688001"	1280.165876	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1359242"	427.393476	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H"	1.007276
"134323"	427.393476	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"570606"	640.586576	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1041590"	214.200376	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"213865"	285.264742666667	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"654518"	427.393476	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1169370"	143.136009333333	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"432644"	870.806223	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"789265"	1297.192423	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1683772"	444.420023	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"331684"	435.9067495	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"725199"	649.0998495	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1482303"	222.7136495	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"396607"	875.761618	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"754924"	1302.147818	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1617990"	449.375418	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"329241"	438.384447	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"720204"	651.577547	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1474021"	225.191347	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1065082"	150.463323333333	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1270404"	459.419686	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"385330"	891.735558	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"744145"	1318.121758	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1548385"	465.349358	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+K"	38.963158
"308840"	446.371417	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"697981"	659.564517	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1452893"	233.178317	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"238578"	894.806226	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1212745"	468.420026	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1196266"	234.713651	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"190958"	897.74356	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"631975"	1324.12976	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1140594"	471.35736	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"182426"	449.375418	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"621256"	662.568518	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1125491"	236.182318	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1410836"	157.790637333333	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1442954"	473.398946	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"231192"	454.40844	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1517065"	487.45099	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"417845"	457.362388	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"779937"	670.555488	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1675172"	244.169288	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257321"	916.788168	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1234404"	490.401968	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720009"	490.425493	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1182811"	165.117951333333	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1651982"	495.380888	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"165412"	929.69144	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"608985"	1356.07764	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1094953"	503.30524	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"153591"	465.349358	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"588045"	678.542458	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1075844"	252.156258	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1111241"	505.319792	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1345436"	505.407407	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1015060"	509.446576	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1536474"	510.440208	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1002192"	255.226926	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1600338"	511.354828	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1428548"	541.386338	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1156647"	275.740201	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1705104"	558.412885	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1641848"	563.36828	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1582969"	579.34222	"C08615"	"alpha-Amyrin"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"806775"	426.3862	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M"	0
"977025"	407.36781	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"64903"	283.250190666667	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"503485"	425.378924	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"880439"	141.121457333333	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"556"	425.378924	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"440882"	638.572024	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"824035"	212.185824	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"84031"	851.765124	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"520673"	1278.151324	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"898474"	425.378924	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"51392"	868.791671	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"489854"	1295.177871	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"872033"	442.405471	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"36654"	873.747066	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"483867"	1300.133266	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"859482"	447.360866	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1624643"	447.360866	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"101172"	443.367263	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"544014"	656.560363	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"934249"	230.174163	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"280095"	887.741802	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"661948"	1314.128002	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1273374"	461.355602	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"18003"	889.721006	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"458658"	1316.107206	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"836459"	463.334806	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1569792"	463.334806	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"954394"	471.384394	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"376636"	897.770601	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"359662"	911.786251	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1507406"	485.400051	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"973611"	493.366351	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"124580"	461.355602	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"562799"	674.548702	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1033054"	248.162502	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1256287"	505.305085	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1315449"	507.361072	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1328570"	529.343029	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"922910"	539.371786	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1301441"	575.348464	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1374498"	391.373524	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1394911"	409.3835	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"295326"	853.779676	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"685922"	1280.165876	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1358259"	427.393476	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"134069"	427.393476	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"569623"	640.586576	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1041335"	214.200376	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"213975"	285.264742666667	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"654264"	427.393476	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1168387"	143.136009333333	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"431661"	870.806223	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"790468"	1297.192423	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1682423"	444.420023	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"335074"	435.9067495	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"723604"	649.0998495	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1478764"	222.7136495	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"398903"	875.761618	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"754790"	1302.147818	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1618141"	449.375418	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"323511"	438.384447	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"721405"	651.577547	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1476525"	225.191347	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1066285"	150.463323333333	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1272380"	459.419686	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"384347"	891.735558	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"744253"	1318.121758	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1547403"	465.349358	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"310043"	446.371417	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"699183"	659.564517	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1453004"	233.178317	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"242698"	894.806226	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1213221"	468.420026	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1197105"	234.713651	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"189973"	897.74356	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"630990"	1324.12976	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1137421"	471.35736	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"183628"	449.375418	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"618085"	662.568518	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1128516"	236.182318	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1409486"	157.790637333333	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1436136"	473.398946	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"229112"	454.40844	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1514988"	487.45099	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"422695"	457.362388	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"780047"	670.555488	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1674554"	244.169288	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"258160"	916.788168	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1233421"	490.401968	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720118"	490.425493	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1182193"	165.117951333333	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1652092"	495.380888	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"165516"	929.69144	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"598514"	1356.07764	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1095793"	503.30524	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"153337"	465.349358	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"588156"	678.542458	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1078506"	252.156258	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1109162"	505.319792	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1344453"	505.407407	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1016263"	509.446576	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1536951"	510.440208	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1004733"	255.226926	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1601907"	511.354828	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1429388"	541.386338	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1157850"	275.740201	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1705216"	558.412885	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1639772"	563.36828	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1583079"	579.34222	"C08616"	"beta-Amyrin;beta-Amyrenol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"806884"	488.3502	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M"	0
"979323"	469.33181	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-H2O-H"	-19.01839
"64286"	324.559524	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M-3H"	-3.021828
"506031"	487.342924	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M-3H"	-3.021828
"880001"	161.776124	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-3H"	-3.021828
"39"	487.342924	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M-2H"	-2.014552
"440505"	731.518024	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M-2H"	-2.014552
"824145"	243.167824	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-2H"	-2.014552
"79151"	975.693124	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M-H"	-1.007276
"519441"	1464.043324	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M-H"	-1.007276
"896517"	487.342924	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-H"	-1.007276
"50409"	992.719671	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M-2H+NH4"	16.019271
"488506"	1481.069871	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M-2H+NH4"	16.019271
"872143"	504.369471	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-2H+NH4"	16.019271
"36764"	997.675066	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M-2H+Na"	20.974666
"482884"	1486.025266	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M-2H+Na"	20.974666
"859592"	509.324866	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-2H+Na"	20.974666
"1631313"	509.324866	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Na-2H"	20.974666
"98002"	505.331263	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M-H+Cl"	33.962126
"539751"	749.506363	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M-H+Cl"	33.962126
"934358"	261.156163	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-H+Cl"	33.962126
"274008"	1011.669802	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+Cl"	34.969402
"661205"	1500.020002	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+Cl"	34.969402
"1273236"	523.319602	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Cl"	34.969402
"16120"	1013.649006	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M-2H+K"	36.948606
"458768"	1501.999206	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M-2H+K"	36.948606
"834382"	525.298806	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-2H+K"	36.948606
"1569902"	525.298806	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+K-2H"	36.948606
"954504"	533.348394	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-H+HCOOH"	44.998194
"376704"	1021.698601	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+HCOOH-H"	44.998201
"359893"	1035.714251	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+Hac-H"	59.013851
"1507028"	547.364051	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Hac-H"	59.013851
"973354"	555.330351	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-H+NaCOOH"	66.980151
"124811"	523.319602	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+2Cl"	69.938804
"563274"	767.494702	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+2Cl"	69.938804
"1034625"	279.144502	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2Cl"	69.938804
"1256393"	567.269085	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Br"	78.918885
"1318841"	569.325072	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Cl+HCOOH"	80.974872
"1333420"	591.307029	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Cl+NaCOOH"	102.956829
"923748"	601.335786	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M-H+CF3COOH"	112.985586
"1302279"	637.312464	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Cl+CF3COOH"	148.962264
"1376795"	453.337524	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H-2H2O"	-35.012676
"1395385"	471.3475	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H-H2O"	-17.0027
"295071"	977.707676	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+H"	1.007276
"686761"	1466.057876	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+H"	1.007276
"1360556"	489.357476	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H"	1.007276
"132356"	489.357476	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+2H"	2.014552
"569733"	733.532576	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+2H"	2.014552
"1042174"	245.182376	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2H"	2.014552
"210805"	326.574076	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+3H"	3.021828
"650362"	489.357476	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+3H"	3.021828
"1168497"	163.790676	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+3H"	3.021828
"435051"	994.734223	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+NH4"	18.033823
"789485"	1483.084423	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+NH4"	18.033823
"1682169"	506.384023	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+NH4"	18.033823
"335184"	497.8707495	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+H+NH4"	19.041099
"722834"	742.0458495	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+H+NH4"	19.041099
"1478148"	253.6956495	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H+NH4"	19.041099
"399013"	999.689618	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+Na"	22.989218
"754900"	1488.039818	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+Na"	22.989218
"1615771"	511.339418	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Na"	22.989218
"319246"	500.348447	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+H+Na"	23.996494
"720422"	744.523547	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+H+Na"	23.996494
"1474973"	256.173347	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H+Na"	23.996494
"1065302"	171.11799	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2H+Na"	25.00377
"1268072"	521.383686	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+CH3OH+H"	33.033486
"384457"	1015.663558	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+K"	38.963158
"745459"	1504.013758	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+K"	38.963158
"1548605"	527.313358	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+K"	38.963158
"307967"	508.335417	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+H+K"	39.970434
"697106"	752.510517	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+H+K"	39.970434
"1448740"	264.160317	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H+K"	39.970434
"239528"	1018.734226	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+ACN+H"	42.033826
"1210776"	530.384026	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+ACN+H"	42.033826
"1195514"	265.695651	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+ACN+2H"	43.041102
"189110"	1021.67156	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+2Na-H"	44.97116
"629396"	1510.02176	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+2Na-H"	44.97116
"1134615"	533.32136	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2Na-H"	44.97116
"179727"	511.339418	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+2Na"	45.978436
"620381"	755.514518	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+2Na"	45.978436
"1127896"	267.164318	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2Na"	45.978436
"1408503"	178.445304	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H+2Na"	46.985712
"1436246"	535.362946	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H+HCOOH"	47.012746
"225942"	516.37244	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+3H2O+2H"	56.04448
"1514004"	549.41499	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+IsoProp+H"	61.06479
"419158"	519.326388	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+Na+K"	61.952376
"780156"	763.501488	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+Na+K"	61.952376
"1668832"	275.151288	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Na+K"	61.952376
"258634"	1040.716168	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+ACN+Na"	64.015768
"1233895"	552.365968	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+ACN+Na"	64.015768
"1720228"	552.389493	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+NH4+HCOOH"	64.039293
"1181937"	185.772618	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+3Na"	68.967654
"1654390"	557.344888	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Na+HCOOH"	68.994688
"165626"	1053.61944	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+2K-H"	76.91904
"599718"	1541.96964	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+2K-H"	76.91904
"1087508"	565.26924	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2K-H"	76.91904
"154905"	527.313358	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"2M+2K"	77.926316
"592640"	771.488458	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"3M+2K"	77.926316
"1079346"	283.138258	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2K"	77.926316
"1113284"	567.283792	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2K+H"	78.933592
"1344563"	567.371407	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+DMSO+H"	79.021207
"1016374"	571.410576	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2ACN+H"	83.060376
"1538154"	572.404208	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+IsoProp+Na+H"	84.054008
"1003140"	286.208926	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+2ACN+2H"	84.067652
"1601289"	573.318828	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+K+HCOOH"	84.968628
"1429498"	603.350338	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+H+CF3COOH"	115.000138
"1159053"	306.722201	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+3ACN+2H"	125.094202
"1706419"	620.376885	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+NH4+CF3COOH"	132.026685
"1639882"	625.33228	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+Na+CF3COOH"	136.98208
"1586469"	641.30622	"C08617"	"Asiatic acid"	"C30H48O5"	"488.3502"	"M+K+CF3COOH"	152.95602
"806994"	442.3811	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M"	0
"977246"	423.36271	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-H2O-H"	-19.01839
"62971"	293.913457333333	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M-3H"	-3.021828
"503021"	441.373824	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M-3H"	-3.021828
"880002"	146.453090666667	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-3H"	-3.021828
"449"	441.373824	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M-2H"	-2.014552
"440254"	662.564374	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M-2H"	-2.014552
"818059"	220.183274	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-2H"	-2.014552
"79140"	883.754924	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M-H"	-1.007276
"520035"	1326.136024	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M-H"	-1.007276
"896259"	441.373824	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-H"	-1.007276
"50519"	900.781471	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M-2H+NH4"	16.019271
"487484"	1343.162571	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M-2H+NH4"	16.019271
"872253"	458.400371	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-2H+NH4"	16.019271
"36874"	905.736866	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M-2H+Na"	20.974666
"482994"	1348.117966	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M-2H+Na"	20.974666
"859702"	463.355766	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-2H+Na"	20.974666
"1631423"	463.355766	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Na-2H"	20.974666
"98112"	459.362163	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M-H+Cl"	33.962126
"540953"	680.552713	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M-H+Cl"	33.962126
"937748"	238.171613	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-H+Cl"	33.962126
"279222"	919.731602	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+Cl"	34.969402
"670913"	1362.112702	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+Cl"	34.969402
"1273515"	477.350502	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Cl"	34.969402
"16152"	921.710806	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M-2H+K"	36.948606
"457784"	1364.091906	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M-2H+K"	36.948606
"834492"	479.329706	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-2H+K"	36.948606
"1570012"	479.329706	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+K-2H"	36.948606
"953520"	487.379294	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-H+HCOOH"	44.998194
"374299"	929.760401	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+HCOOH-H"	44.998201
"359636"	943.776051	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+Hac-H"	59.013851
"1505192"	501.394951	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Hac-H"	59.013851
"971640"	509.361251	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-H+NaCOOH"	66.980151
"124921"	477.350502	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+2Cl"	69.938804
"562658"	698.541052	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+2Cl"	69.938804
"1035831"	256.159952	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2Cl"	69.938804
"1255775"	521.299985	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Br"	78.918885
"1319645"	523.355972	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Cl+HCOOH"	80.974872
"1333530"	545.337929	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Cl+NaCOOH"	102.956829
"924586"	555.366686	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M-H+CF3COOH"	112.985586
"1300929"	591.343364	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Cl+CF3COOH"	148.962264
"1377999"	407.368424	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H-2H2O"	-35.012676
"1394038"	425.3784	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H-H2O"	-17.0027
"294089"	885.769476	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+H"	1.007276
"687969"	1328.150576	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+H"	1.007276
"1362853"	443.388376	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H"	1.007276
"129186"	443.388376	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+2H"	2.014552
"570937"	664.578926	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+2H"	2.014552
"1041921"	222.197826	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2H"	2.014552
"213831"	295.928009333333	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+3H"	3.021828
"654483"	443.388376	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+3H"	3.021828
"1167514"	148.467642666667	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+3H"	3.021828
"434068"	902.796023	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+NH4"	18.033823
"788502"	1345.177123	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+NH4"	18.033823
"1683372"	460.414923	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+NH4"	18.033823
"336387"	451.9016495	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+H+NH4"	19.041099
"725526"	673.0921995	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+H+NH4"	19.041099
"1477891"	230.7110995	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H+NH4"	19.041099
"396936"	907.751418	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+Na"	22.989218
"757200"	1350.132518	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+Na"	22.989218
"1610416"	465.370318	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Na"	22.989218
"318263"	454.379347	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+H+Na"	23.996494
"722356"	675.569897	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+H+Na"	23.996494
"1476543"	233.188797	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H+Na"	23.996494
"1067477"	155.794956666667	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2H+Na"	25.00377
"1269275"	475.414586	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+CH3OH+H"	33.033486
"382381"	923.725358	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+K"	38.963158
"746663"	1366.106458	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+K"	38.963158
"1549809"	481.344258	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+K"	38.963158
"308077"	462.366317	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+H+K"	39.970434
"697216"	683.556867	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+H+K"	39.970434
"1448850"	241.175767	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H+K"	39.970434
"236722"	926.796026	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+ACN+H"	42.033826
"1211124"	484.414926	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+ACN+H"	42.033826
"1195373"	242.711101	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+ACN+2H"	43.041102
"189578"	929.73336	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+2Na-H"	44.97116
"629384"	1372.11446	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+2Na-H"	44.97116
"1134725"	487.35226	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2Na-H"	44.97116
"176921"	465.370318	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+2Na"	45.978436
"617211"	686.560868	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+2Na"	45.978436
"1117799"	244.179768	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2Na"	45.978436
"1406426"	163.122270666667	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H+2Na"	46.985712
"1435627"	489.393846	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H+HCOOH"	47.012746
"226050"	470.40334	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+3H2O+2H"	56.04448
"1510833"	503.44589	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+IsoProp+H"	61.06479
"411613"	473.357288	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+Na+K"	61.952376
"776983"	694.547838	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+Na+K"	61.952376
"1670397"	252.166738	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Na+K"	61.952376
"254002"	948.777968	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+ACN+Na"	64.015768
"1231085"	506.396868	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+ACN+Na"	64.015768
"1714868"	506.420393	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+NH4+HCOOH"	64.039293
"1179130"	170.449584666667	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+3Na"	68.967654
"1652313"	511.375788	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Na+HCOOH"	68.994688
"162820"	961.68124	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+2K-H"	76.91904
"599828"	1404.06234	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+2K-H"	76.91904
"1086525"	519.30014	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2K-H"	76.91904
"155746"	481.344258	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"2M+2K"	77.926316
"594937"	702.534808	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"3M+2K"	77.926316
"1081645"	260.153708	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2K"	77.926316
"1114369"	521.314692	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2K+H"	78.933592
"1346860"	521.402307	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+DMSO+H"	79.021207
"1017577"	525.441476	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2ACN+H"	83.060376
"1538264"	526.435108	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+IsoProp+Na+H"	84.054008
"1003978"	263.224376	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+2ACN+2H"	84.067652
"1602129"	527.349728	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+K+HCOOH"	84.968628
"1429811"	557.381238	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+H+CF3COOH"	115.000138
"1159163"	283.737651	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+3ACN+2H"	125.094202
"1706529"	574.407785	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+NH4+CF3COOH"	132.026685
"1639992"	579.36318	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+Na+CF3COOH"	136.98208
"1586579"	595.33712	"C08618"	"Betulin"	"C30H50O2"	"442.3811"	"M+K+CF3COOH"	152.95602
"813664"	456.3603	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M"	0
"980636"	437.34191	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-H2O-H"	-19.01839
"63364"	303.232924	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M-3H"	-3.021828
"505158"	455.353024	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M-3H"	-3.021828
"881867"	151.112824	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-3H"	-3.021828
"2626"	455.353024	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M-2H"	-2.014552
"440153"	683.533174	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M-2H"	-2.014552
"817436"	227.172874	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-2H"	-2.014552
"79129"	911.713324	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M-H"	-1.007276
"519782"	1368.073624	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M-H"	-1.007276
"897340"	455.353024	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-H"	-1.007276
"47830"	928.739871	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M-2H+NH4"	16.019271
"489092"	1385.100171	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M-2H+NH4"	16.019271
"866893"	472.379571	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-2H+NH4"	16.019271
"36983"	933.695266	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M-2H+Na"	20.974666
"475449"	1390.055566	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M-2H+Na"	20.974666
"851063"	477.334966	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-2H+Na"	20.974666
"1623879"	477.334966	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Na-2H"	20.974666
"97127"	473.341363	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M-H+Cl"	33.962126
"536689"	701.521513	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M-H+Cl"	33.962126
"934577"	245.161213	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-H+Cl"	33.962126
"272041"	947.690002	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+Cl"	34.969402
"667741"	1404.050302	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+Cl"	34.969402
"1273218"	491.329702	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Cl"	34.969402
"16262"	949.669206	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M-2H+K"	36.948606
"460082"	1406.029506	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M-2H+K"	36.948606
"835694"	493.308906	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-2H+K"	36.948606
"1567936"	493.308906	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+K-2H"	36.948606
"954725"	501.358494	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-H+HCOOH"	44.998194
"375501"	957.718801	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+HCOOH-H"	44.998201
"358653"	971.734451	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+Hac-H"	59.013851
"1506025"	515.374151	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Hac-H"	59.013851
"973573"	523.340451	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-H+NaCOOH"	66.980151
"125031"	491.329702	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+2Cl"	69.938804
"563129"	719.509852	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+2Cl"	69.938804
"1032656"	263.149552	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2Cl"	69.938804
"1256617"	535.279185	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Br"	78.918885
"1318694"	537.335172	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Cl+HCOOH"	80.974872
"1334012"	559.317129	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Cl+NaCOOH"	102.956829
"925791"	569.345886	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M-H+CF3COOH"	112.985586
"1303351"	605.322564	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Cl+CF3COOH"	148.962264
"1379203"	421.347624	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H-2H2O"	-35.012676
"1395606"	439.3576	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H-H2O"	-17.0027
"295292"	913.727876	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+H"	1.007276
"688079"	1370.088176	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+H"	1.007276
"1364057"	457.367576	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H"	1.007276
"133669"	457.367576	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+2H"	2.014552
"573234"	685.547726	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+2H"	2.014552
"1040937"	229.187426	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2H"	2.014552
"212847"	305.247476	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+3H"	3.021828
"651677"	457.367576	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+3H"	3.021828
"1165790"	153.127376	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+3H"	3.021828
"435271"	930.754423	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+NH4"	18.033823
"791892"	1387.114723	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+NH4"	18.033823
"1686034"	474.394123	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+NH4"	18.033823
"333581"	465.8808495	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+H+NH4"	19.041099
"726730"	694.0609995	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+H+NH4"	19.041099
"1477999"	237.7006995	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H+NH4"	19.041099
"398139"	935.709818	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+Na"	22.989218
"759133"	1392.070118	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+Na"	22.989218
"1611619"	479.349518	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Na"	22.989218
"318737"	468.358547	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+H+Na"	23.996494
"721617"	696.538697	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+H+Na"	23.996494
"1472274"	240.178397	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H+Na"	23.996494
"1063332"	160.45469	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2H+Na"	25.00377
"1268292"	489.393786	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+CH3OH+H"	33.033486
"382491"	951.683758	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+K"	38.963158
"750053"	1408.044058	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+K"	38.963158
"1546637"	495.323458	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+K"	38.963158
"308187"	476.345517	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+H+K"	39.970434
"701702"	704.525667	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+H+K"	39.970434
"1447499"	248.165367	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H+K"	39.970434
"236102"	954.754426	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+ACN+H"	42.033826
"1210101"	498.394126	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+ACN+H"	42.033826
"1194880"	249.700701	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+ACN+2H"	43.041102
"188964"	957.69176	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+2Na-H"	44.97116
"629858"	1414.05206	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+2Na-H"	44.97116
"1131672"	501.33146	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2Na-H"	44.97116
"172911"	479.349518	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+2Na"	45.978436
"613181"	707.529668	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+2Na"	45.978436
"1118638"	251.169368	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2Na"	45.978436
"1401189"	167.782004	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H+2Na"	46.985712
"1436465"	503.373046	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H+HCOOH"	47.012746
"223973"	484.38254	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+3H2O+2H"	56.04448
"1513129"	517.42509	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+IsoProp+H"	61.06479
"408576"	487.336488	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+Na+K"	61.952376
"770772"	715.516638	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+Na+K"	61.952376
"1667955"	259.156338	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Na+K"	61.952376
"256664"	976.736368	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+ACN+Na"	64.015768
"1231195"	520.376068	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+ACN+Na"	64.015768
"1718260"	520.399593	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+NH4+HCOOH"	64.039293
"1179118"	175.109318	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+3Na"	68.967654
"1654609"	525.354988	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Na+HCOOH"	68.994688
"158188"	989.63964	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+2K-H"	76.91904
"598845"	1445.99994	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+2K-H"	76.91904
"1086635"	533.27934	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2K-H"	76.91904
"155125"	495.323458	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"2M+2K"	77.926316
"594683"	723.503608	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"3M+2K"	77.926316
"1082118"	267.143308	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2K"	77.926316
"1113868"	535.293892	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2K+H"	78.933592
"1346972"	535.381507	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+DMSO+H"	79.021207
"1016594"	539.420676	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2ACN+H"	83.060376
"1539224"	540.414308	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+IsoProp+Na+H"	84.054008
"1005304"	270.213976	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+2ACN+2H"	84.067652
"1602359"	541.328928	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+K+HCOOH"	84.968628
"1429747"	571.360438	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+H+CF3COOH"	115.000138
"1159273"	290.727251	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+3ACN+2H"	125.094202
"1704452"	588.386985	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+NH4+CF3COOH"	132.026685
"1635729"	593.34238	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+Na+CF3COOH"	136.98208
"1586689"	609.31632	"C08619"	"Betulinic acid"	"C30H48O3"	"456.3603"	"M+K+CF3COOH"	152.95602
"810494"	595.1663	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M"	0
"980746"	576.14791	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-H2O-H"	-19.01839
"63271"	395.770257333333	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M-3H"	-3.021828
"504174"	594.159024	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M-3H"	-3.021828
"880882"	197.381490666667	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-3H"	-3.021828
"304"	594.159024	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M-2H"	-2.014552
"440959"	891.742174	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M-2H"	-2.014552
"817789"	296.575874	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-2H"	-2.014552
"80810"	1189.325324	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M-H"	-1.007276
"520495"	1784.491624	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M-H"	-1.007276
"897811"	594.159024	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-H"	-1.007276
"47938"	1206.351871	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M-2H+NH4"	16.019271
"488228"	1801.518171	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M-2H+NH4"	16.019271
"865303"	611.185571	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-2H+NH4"	16.019271
"40373"	1211.307266	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M-2H+Na"	20.974666
"476652"	1806.473566	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M-2H+Na"	20.974666
"854453"	616.140966	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-2H+Na"	20.974666
"1626176"	616.140966	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Na-2H"	20.974666
"98331"	612.147363	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M-H+Cl"	33.962126
"541173"	909.730513	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M-H+Cl"	33.962126
"933594"	314.564213	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-H+Cl"	33.962126
"277619"	1225.302002	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+Cl"	34.969402
"666757"	1820.468302	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+Cl"	34.969402
"1273450"	630.135702	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Cl"	34.969402
"16860"	1227.281206	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M-2H+K"	36.948606
"461285"	1822.447506	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M-2H+K"	36.948606
"835804"	632.114906	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-2H+K"	36.948606
"1569504"	632.114906	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+K-2H"	36.948606
"956539"	640.164494	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-H+HCOOH"	44.998194
"374154"	1235.330801	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+HCOOH-H"	44.998201
"359131"	1249.346451	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+Hac-H"	59.013851
"1506870"	654.180151	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Hac-H"	59.013851
"973202"	662.146451	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-H+NaCOOH"	66.980151
"124777"	630.135702	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+2Cl"	69.938804
"563239"	927.718852	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+2Cl"	69.938804
"1033861"	332.552552	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2Cl"	69.938804
"1255514"	674.085185	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Br"	78.918885
"1318805"	676.141172	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Cl+HCOOH"	80.974872
"1333394"	698.123129	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Cl+NaCOOH"	102.956829
"925172"	708.151886	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M-H+CF3COOH"	112.985586
"1300055"	744.128564	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Cl+CF3COOH"	148.962264
"1381137"	560.153624	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H-2H2O"	-35.012676
"1398108"	578.1636	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H-H2O"	-17.0027
"297224"	1191.339876	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+H"	1.007276
"688551"	1786.506176	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+H"	1.007276
"1361980"	596.173576	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H"	1.007276
"133779"	596.173576	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+2H"	2.014552
"574437"	893.756726	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+2H"	2.014552
"1042140"	298.590426	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2H"	2.014552
"211135"	397.784809333333	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+3H"	3.021828
"655067"	596.173576	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+3H"	3.021828
"1168816"	199.396042666667	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+3H"	3.021828
"429914"	1208.366423	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+NH4"	18.033823
"788722"	1803.532723	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+NH4"	18.033823
"1683957"	613.200123	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+NH4"	18.033823
"333327"	604.6868495	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+H+NH4"	19.041099
"724653"	902.2699995	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+H+NH4"	19.041099
"1479205"	307.1036995	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H+NH4"	19.041099
"399343"	1213.321818	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+Na"	22.989218
"758150"	1808.488118	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+Na"	22.989218
"1607352"	618.155518	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Na"	22.989218
"319940"	607.164547	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+H+Na"	23.996494
"721851"	904.747697	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+H+Na"	23.996494
"1472384"	309.581397	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H+Na"	23.996494
"1063442"	206.723356666667	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2H+Na"	25.00377
"1268402"	628.199786	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+CH3OH+H"	33.033486
"381508"	1229.295758	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+K"	38.963158
"749070"	1824.462058	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+K"	38.963158
"1545654"	634.129458	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+K"	38.963158
"306108"	615.151517	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+H+K"	39.970434
"699625"	912.734667	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+H+K"	39.970434
"1453443"	317.568367	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H+K"	39.970434
"236574"	1232.366426	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+ACN+H"	42.033826
"1210377"	637.200126	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+ACN+H"	42.033826
"1195352"	319.103701	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+ACN+2H"	43.041102
"189436"	1235.30376	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+2Na-H"	44.97116
"630697"	1830.47006	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+2Na-H"	44.97116
"1131561"	640.13746	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2Na-H"	44.97116
"173042"	618.155518	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+2Na"	45.978436
"612811"	915.738668	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+2Na"	45.978436
"1117654"	320.572368	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2Na"	45.978436
"1398866"	214.050670666667	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H+2Na"	46.985712
"1433295"	642.179046	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H+HCOOH"	47.012746
"220924"	623.18854	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+3H2O+2H"	56.04448
"1513239"	656.23109	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+IsoProp+H"	61.06479
"408549"	626.142488	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+Na+K"	61.952376
"772827"	923.725638	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+Na+K"	61.952376
"1672438"	328.559338	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Na+K"	61.952376
"256773"	1254.348368	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+ACN+Na"	64.015768
"1228388"	659.182068	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+ACN+Na"	64.015768
"1713672"	659.205593	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+NH4+HCOOH"	64.039293
"1178863"	221.377984666667	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+3Na"	68.967654
"1653626"	664.160988	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Na+HCOOH"	68.994688
"159755"	1267.25164	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+2K-H"	76.91904
"598590"	1862.41794	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+2K-H"	76.91904
"1087109"	672.08534	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2K-H"	76.91904
"154507"	634.129458	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"2M+2K"	77.926316
"593701"	931.712608	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"3M+2K"	77.926316
"1082228"	336.546308	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2K"	77.926316
"1112156"	674.099892	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2K+H"	78.933592
"1346353"	674.187507	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+DMSO+H"	79.021207
"1016340"	678.226676	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2ACN+H"	83.060376
"1539090"	679.220308	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+IsoProp+Na+H"	84.054008
"1004927"	339.616976	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+2ACN+2H"	84.067652
"1601861"	680.134928	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+K+HCOOH"	84.968628
"1429100"	710.166438	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+H+CF3COOH"	115.000138
"1158290"	360.130251	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+3ACN+2H"	125.094202
"1703469"	727.192985	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+NH4+CF3COOH"	132.026685
"1635839"	732.14838	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+Na+CF3COOH"	136.98208
"1586799"	748.12232	"C08620"	"Cyanidin 3-O-rutinoside;Cyanidin 3-O-rhamnosylglucoside;Keracyanin"	"C27H31O15"	"595.1663"	"M+K+CF3COOH"	152.95602
"813887"	444.3967	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M"	0
"987053"	425.37831	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-H2O-H"	-19.01839
"64727"	295.257190666667	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M-3H"	-3.021828
"504408"	443.389424	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M-3H"	-3.021828
"886464"	147.124957333333	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-3H"	-3.021828
"6131"	443.389424	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M-2H"	-2.014552
"443504"	665.587774	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M-2H"	-2.014552
"822398"	221.191074	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-2H"	-2.014552
"78570"	887.786124	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M-H"	-1.007276
"518561"	1332.182824	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M-H"	-1.007276
"901941"	443.389424	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-H"	-1.007276
"54129"	904.812671	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M-2H+NH4"	16.019271
"491501"	1349.209371	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M-2H+NH4"	16.019271
"869301"	460.415971	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-2H+NH4"	16.019271
"39390"	909.768066	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M-2H+Na"	20.974666
"476762"	1354.164766	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M-2H+Na"	20.974666
"855656"	465.371366	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-2H+Na"	20.974666
"1626288"	465.371366	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Na-2H"	20.974666
"105003"	461.377763	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M-H+Cl"	33.962126
"541284"	683.576113	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M-H+Cl"	33.962126
"934799"	239.179413	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-H+Cl"	33.962126
"279916"	923.762802	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+Cl"	34.969402
"672335"	1368.159502	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+Cl"	34.969402
"1280365"	479.366102	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Cl"	34.969402
"18551"	925.742006	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M-2H+K"	36.948606
"460301"	1370.138706	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M-2H+K"	36.948606
"835914"	481.345306	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-2H+K"	36.948606
"1565970"	481.345306	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+K-2H"	36.948606
"956770"	489.394894	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-H+HCOOH"	44.998194
"373891"	933.791601	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+HCOOH-H"	44.998201
"355951"	947.807251	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+Hac-H"	59.013851
"1507589"	503.410551	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Hac-H"	59.013851
"973554"	511.376851	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-H+NaCOOH"	66.980151
"124887"	479.366102	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+2Cl"	69.938804
"563349"	701.564452	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+2Cl"	69.938804
"1033971"	257.167752	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2Cl"	69.938804
"1256102"	523.315585	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Br"	78.918885
"1316727"	525.371572	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Cl+HCOOH"	80.974872
"1332032"	547.353529	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Cl+NaCOOH"	102.956829
"924554"	557.382286	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M-H+CF3COOH"	112.985586
"1302353"	593.358964	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Cl+CF3COOH"	148.962264
"1380882"	409.384024	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H-2H2O"	-35.012676
"1397773"	427.394	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H-H2O"	-17.0027
"297698"	889.800676	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+H"	1.007276
"687932"	1334.197376	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+H"	1.007276
"1360996"	445.403976	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H"	1.007276
"140087"	445.403976	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+2H"	2.014552
"574546"	667.602326	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+2H"	2.014552
"1044437"	223.205626	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2H"	2.014552
"214160"	297.271742666667	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+3H"	3.021828
"656270"	445.403976	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+3H"	3.021828
"1168197"	149.139509333333	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+3H"	3.021828
"428927"	906.827223	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+NH4"	18.033823
"791015"	1351.223923	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+NH4"	18.033823
"1682974"	462.430523	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+NH4"	18.033823
"335624"	453.9172495	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+H+NH4"	19.041099
"725492"	676.1155995	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+H+NH4"	19.041099
"1482962"	231.7188995	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H+NH4"	19.041099
"400547"	911.782618	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+Na"	22.989218
"758260"	1356.179318	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+Na"	22.989218
"1610742"	467.385918	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Na"	22.989218
"322966"	456.394947	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+H+Na"	23.996494
"722694"	678.593297	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+H+Na"	23.996494
"1471400"	234.196597	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H+Na"	23.996494
"1063552"	156.466823333333	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2H+Na"	25.00377
"1270698"	477.430186	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+CH3OH+H"	33.033486
"380524"	927.756558	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+K"	38.963158
"749180"	1372.153258	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+K"	38.963158
"1552327"	483.359858	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+K"	38.963158
"312783"	464.381917	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+H+K"	39.970434
"701922"	686.580267	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+H+K"	39.970434
"1456835"	242.183567	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H+K"	39.970434
"237782"	930.827226	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+ACN+H"	42.033826
"1212677"	486.430526	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+ACN+H"	42.033826
"1194860"	243.718901	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+ACN+2H"	43.041102
"191621"	933.76456	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+2Na-H"	44.97116
"634462"	1378.16126	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+2Na-H"	44.97116
"1132379"	489.36786	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2Na-H"	44.97116
"173969"	467.385918	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+2Na"	45.978436
"617541"	689.584268	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+2Na"	45.978436
"1125420"	245.187568	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2Na"	45.978436
"1410037"	163.794137333333	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H+2Na"	46.985712
"1439967"	491.409446	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H+HCOOH"	47.012746
"232943"	472.41894	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+3H2O+2H"	56.04448
"1517725"	505.46149	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+IsoProp+H"	61.06479
"416317"	475.372888	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+Na+K"	61.952376
"777313"	697.571238	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+Na+K"	61.952376
"1673643"	253.174538	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Na+K"	61.952376
"252021"	952.809168	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+ACN+Na"	64.015768
"1229592"	508.412468	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+ACN+Na"	64.015768
"1715198"	508.435993	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+NH4+HCOOH"	64.039293
"1180559"	171.121451333333	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+3Na"	68.967654
"1654829"	513.391388	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Na+HCOOH"	68.994688
"159502"	965.71244	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+2K-H"	76.91904
"601252"	1410.10914	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+2K-H"	76.91904
"1085398"	521.31574	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2K-H"	76.91904
"155345"	483.359858	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"2M+2K"	77.926316
"593080"	705.558208	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"3M+2K"	77.926316
"1083067"	261.161508	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2K"	77.926316
"1113724"	523.330292	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2K+H"	78.933592
"1346463"	523.417907	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+DMSO+H"	79.021207
"1015356"	527.457076	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2ACN+H"	83.060376
"1538836"	528.450708	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+IsoProp+Na+H"	84.054008
"1004916"	264.232176	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+2ACN+2H"	84.067652
"1600633"	529.365328	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+K+HCOOH"	84.968628
"1428965"	559.396838	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+H+CF3COOH"	115.000138
"1158400"	284.745451	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+3ACN+2H"	125.094202
"1706859"	576.423385	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+NH4+CF3COOH"	132.026685
"1640322"	581.37878	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+Na+CF3COOH"	136.98208
"1586909"	597.35272	"C08621"	"Dammarenediol-I"	"C30H52O2"	"444.3967"	"M+K+CF3COOH"	152.95602
"815089"	442.3811	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M"	0
"985342"	423.36271	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-H2O-H"	-19.01839
"69212"	293.913457333333	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M-3H"	-3.021828
"506583"	441.373824	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M-3H"	-3.021828
"888761"	146.453090666667	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-3H"	-3.021828
"9521"	441.373824	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M-2H"	-2.014552
"444707"	662.564374	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M-2H"	-2.014552
"823602"	220.183274	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-2H"	-2.014552
"83596"	883.754924	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M-H"	-1.007276
"524249"	1326.136024	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M-H"	-1.007276
"902051"	441.373824	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-H"	-1.007276
"57519"	900.781471	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M-2H+NH4"	16.019271
"498171"	1343.162571	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M-2H+NH4"	16.019271
"873786"	458.400371	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-2H+NH4"	16.019271
"41687"	905.736866	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M-2H+Na"	20.974666
"479058"	1348.117966	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M-2H+Na"	20.974666
"852486"	463.355766	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-2H+Na"	20.974666
"1632959"	463.355766	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Na-2H"	20.974666
"108035"	459.362163	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M-H+Cl"	33.962126
"549048"	680.552713	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M-H+Cl"	33.962126
"939283"	238.171613	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-H+Cl"	33.962126
"281119"	919.731602	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+Cl"	34.969402
"674268"	1362.112702	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+Cl"	34.969402
"1285942"	477.350502	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Cl"	34.969402
"18661"	921.710806	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M-2H+K"	36.948606
"461505"	1364.091906	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M-2H+K"	36.948606
"838211"	479.329706	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-2H+K"	36.948606
"1568632"	479.329706	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+K-2H"	36.948606
"954691"	487.379294	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-H+HCOOH"	44.998194
"372909"	929.760401	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+HCOOH-H"	44.998201
"356790"	943.776051	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+Hac-H"	59.013851
"1507457"	501.394951	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Hac-H"	59.013851
"972810"	509.361251	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-H+NaCOOH"	66.980151
"124266"	477.350502	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+2Cl"	69.938804
"563094"	698.541052	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+2Cl"	69.938804
"1034077"	256.159952	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2Cl"	69.938804
"1255849"	521.299985	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Br"	78.918885
"1317928"	523.355972	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Cl+HCOOH"	80.974872
"1333236"	545.337929	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Cl+NaCOOH"	102.956829
"925391"	555.366686	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M-H+CF3COOH"	112.985586
"1303884"	591.343364	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Cl+CF3COOH"	148.962264
"1379528"	407.368424	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H-2H2O"	-35.012676
"1397639"	425.3784	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H-H2O"	-17.0027
"297444"	885.769476	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+H"	1.007276
"688042"	1328.150576	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+H"	1.007276
"1361835"	443.388376	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H"	1.007276
"138375"	443.388376	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+2H"	2.014552
"572470"	664.578926	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+2H"	2.014552
"1046734"	222.197826	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2H"	2.014552
"215728"	295.928009333333	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+3H"	3.021828
"654923"	443.388376	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+3H"	3.021828
"1166484"	148.467642666667	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+3H"	3.021828
"433410"	902.796023	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+NH4"	18.033823
"795134"	1345.177123	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+NH4"	18.033823
"1686724"	460.414923	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+NH4"	18.033823
"332086"	451.9016495	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+H+NH4"	19.041099
"724507"	673.0921995	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+H+NH4"	19.041099
"1486352"	230.7110995	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H+NH4"	19.041099
"399563"	907.751418	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+Na"	22.989218
"754844"	1350.132518	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+Na"	22.989218
"1610852"	465.370318	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Na"	22.989218
"319796"	454.379347	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+H+Na"	23.996494
"722768"	675.569897	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+H+Na"	23.996494
"1471510"	233.188797	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H+Na"	23.996494
"1063662"	155.794956666667	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2H+Na"	25.00377
"1264247"	475.414586	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+CH3OH+H"	33.033486
"380634"	923.725358	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+K"	38.963158
"751112"	1366.106458	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+K"	38.963158
"1554256"	481.344258	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+K"	38.963158
"308515"	462.366317	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+H+K"	39.970434
"704218"	683.556867	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+H+K"	39.970434
"1459860"	241.175767	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H+K"	39.970434
"243360"	926.796026	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+ACN+H"	42.033826
"1216067"	484.414926	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+ACN+H"	42.033826
"1196674"	242.711101	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+ACN+2H"	43.041102
"193919"	929.73336	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+2Na-H"	44.97116
"636759"	1372.11446	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+2Na-H"	44.97116
"1136260"	487.35226	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2Na-H"	44.97116
"182467"	465.370318	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+2Na"	45.978436
"624214"	686.560868	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+2Na"	45.978436
"1128814"	244.179768	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2Na"	45.978436
"1411242"	163.122270666667	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H+2Na"	46.985712
"1441172"	489.393846	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H+HCOOH"	47.012746
"231960"	470.40334	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+3H2O+2H"	56.04448
"1518928"	503.44589	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+IsoProp+H"	61.06479
"417520"	473.357288	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+Na+K"	61.952376
"778516"	694.547838	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+Na+K"	61.952376
"1674846"	252.166738	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Na+K"	61.952376
"258087"	948.777968	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+ACN+Na"	64.015768
"1232983"	506.396868	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+ACN+Na"	64.015768
"1716402"	506.420393	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+NH4+HCOOH"	64.039293
"1179934"	170.449584666667	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+3Na"	68.967654
"1657128"	511.375788	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Na+HCOOH"	68.994688
"161800"	961.68124	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+2K-H"	76.91904
"602457"	1404.06234	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+2K-H"	76.91904
"1086967"	519.30014	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2K-H"	76.91904
"150717"	481.344258	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"2M+2K"	77.926316
"586630"	702.534808	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"3M+2K"	77.926316
"1079890"	260.153708	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2K"	77.926316
"1110913"	521.314692	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2K+H"	78.933592
"1347301"	521.402307	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+DMSO+H"	79.021207
"1014736"	525.441476	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2ACN+H"	83.060376
"1533961"	526.435108	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+IsoProp+Na+H"	84.054008
"1001501"	263.224376	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+2ACN+2H"	84.067652
"1599285"	527.349728	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+K+HCOOH"	84.968628
"1428952"	557.381238	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+H+CF3COOH"	115.000138
"1158510"	283.737651	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+3ACN+2H"	125.094202
"1703689"	574.407785	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+NH4+CF3COOH"	132.026685
"1639339"	579.36318	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+Na+CF3COOH"	136.98208
"1583739"	595.33712	"C08622"	"Dipterocarpol"	"C30H50O2"	"442.3811"	"M+K+CF3COOH"	152.95602
"814104"	456.3603	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M"	0
"981079"	437.34191	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-H2O-H"	-19.01839
"68226"	303.232924	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M-3H"	-3.021828
"506691"	455.353024	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M-3H"	-3.021828
"885588"	151.112824	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-3H"	-3.021828
"3433"	455.353024	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M-2H"	-2.014552
"445907"	683.533174	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M-2H"	-2.014552
"823711"	227.172874	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-2H"	-2.014552
"83706"	911.713324	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M-H"	-1.007276
"524360"	1368.073624	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M-H"	-1.007276
"905442"	455.353024	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-H"	-1.007276
"54348"	928.739871	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M-2H+NH4"	16.019271
"495001"	1385.100171	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M-2H+NH4"	16.019271
"871709"	472.379571	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-2H+NH4"	16.019271
"41797"	933.695266	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M-2H+Na"	20.974666
"478075"	1390.055566	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M-2H+Na"	20.974666
"852596"	477.334966	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-2H+Na"	20.974666
"1629790"	477.334966	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Na-2H"	20.974666
"107411"	473.341363	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M-H+Cl"	33.962126
"545878"	701.521513	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M-H+Cl"	33.962126
"939393"	245.161213	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-H+Cl"	33.962126
"279042"	947.690002	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+Cl"	34.969402
"674620"	1404.050302	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+Cl"	34.969402
"1281678"	491.329702	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Cl"	34.969402
"17068"	949.669206	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M-2H+K"	36.948606
"458333"	1406.029506	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M-2H+K"	36.948606
"834187"	493.308906	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-2H+K"	36.948606
"1566190"	493.308906	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+K-2H"	36.948606
"951885"	501.358494	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-H+HCOOH"	44.998194
"373383"	957.718801	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+HCOOH-H"	44.998201
"353984"	971.734451	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+Hac-H"	59.013851
"1506111"	515.374151	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Hac-H"	59.013851
"973281"	523.340451	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-H+NaCOOH"	66.980151
"124010"	491.329702	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+2Cl"	69.938804
"560650"	719.509852	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+2Cl"	69.938804
"1032730"	263.149552	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2Cl"	69.938804
"1255958"	535.279185	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Br"	78.918885
"1314027"	537.335172	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Cl+HCOOH"	80.974872
"1327149"	559.317129	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Cl+NaCOOH"	102.956829
"922948"	569.345886	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M-H+CF3COOH"	112.985586
"1298196"	605.322564	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Cl+CF3COOH"	148.962264
"1378544"	421.347624	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H-2H2O"	-35.012676
"1394584"	439.3576	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H-H2O"	-17.0027
"293908"	913.727876	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+H"	1.007276
"686693"	1370.088176	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+H"	1.007276
"1359029"	457.367576	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H"	1.007276
"133382"	457.367576	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+2H"	2.014552
"574767"	685.547726	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+2H"	2.014552
"1043565"	229.187426	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2H"	2.014552
"214745"	305.247476	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+3H"	3.021828
"648837"	457.367576	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+3H"	3.021828
"1164407"	153.127376	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+3H"	3.021828
"428052"	930.754423	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+NH4"	18.033823
"797066"	1387.114723	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+NH4"	18.033823
"1686470"	474.394123	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+NH4"	18.033823
"332925"	465.8808495	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+H+NH4"	19.041099
"723525"	694.0609995	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+H+NH4"	19.041099
"1477955"	237.7006995	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H+NH4"	19.041099
"396393"	935.709818	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+Na"	22.989218
"754590"	1392.070118	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+Na"	22.989218
"1610961"	479.349518	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Na"	22.989218
"319906"	468.358547	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+H+Na"	23.996494
"722667"	696.538697	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+H+Na"	23.996494
"1471620"	240.178397	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H+Na"	23.996494
"1063772"	160.45469	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2H+Na"	25.00377
"1264357"	489.393786	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+CH3OH+H"	33.033486
"380744"	951.683758	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+K"	38.963158
"751222"	1408.044058	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+K"	38.963158
"1552544"	495.323458	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+K"	38.963158
"309718"	476.345517	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+H+K"	39.970434
"703235"	704.525667	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+H+K"	39.970434
"1457055"	248.165367	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H+K"	39.970434
"243471"	954.754426	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+ACN+H"	42.033826
"1211440"	498.394126	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+ACN+H"	42.033826
"1195317"	249.700701	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+ACN+2H"	43.041102
"194029"	957.69176	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+2Na-H"	44.97116
"636869"	1414.05206	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+2Na-H"	44.97116
"1138192"	501.33146	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2Na-H"	44.97116
"176744"	479.349518	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+2Na"	45.978436
"622137"	707.529668	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+2Na"	45.978436
"1128924"	251.169368	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2Na"	45.978436
"1404792"	167.782004	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H+2Na"	46.985712
"1442374"	503.373046	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H+HCOOH"	47.012746
"232069"	484.38254	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+3H2O+2H"	56.04448
"1516851"	517.42509	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+IsoProp+H"	61.06479
"417632"	487.336488	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+Na+K"	61.952376
"773161"	715.516638	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+Na+K"	61.952376
"1670585"	259.156338	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Na+K"	61.952376
"253824"	976.736368	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+ACN+Na"	64.015768
"1226534"	520.376068	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+ACN+Na"	64.015768
"1718701"	520.399593	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+NH4+HCOOH"	64.039293
"1182967"	175.109318	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+3Na"	68.967654
"1657238"	525.354988	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Na+HCOOH"	68.994688
"163003"	989.63964	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+2K-H"	76.91904
"602567"	1445.99994	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+2K-H"	76.91904
"1090357"	533.27934	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2K-H"	76.91904
"149367"	495.323458	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"2M+2K"	77.926316
"587833"	723.503608	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"3M+2K"	77.926316
"1077813"	267.143308	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2K"	77.926316
"1111023"	535.293892	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2K+H"	78.933592
"1347047"	535.381507	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+DMSO+H"	79.021207
"1015939"	539.420676	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2ACN+H"	83.060376
"1537350"	540.414308	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+IsoProp+Na+H"	84.054008
"1001973"	270.213976	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+2ACN+2H"	84.067652
"1600488"	541.328928	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+K+HCOOH"	84.968628
"1427239"	571.360438	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+H+CF3COOH"	115.000138
"1158620"	290.727251	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+3ACN+2H"	125.094202
"1707079"	588.386985	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+NH4+CF3COOH"	132.026685
"1640541"	593.34238	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+Na+CF3COOH"	136.98208
"1583849"	609.31632	"C08623"	"alpha-Elemolic acid"	"C30H48O3"	"456.3603"	"M+K+CF3COOH"	152.95602
"814214"	426.3862	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M"	0
"985563"	407.36781	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"71616"	283.250190666667	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"506801"	425.378924	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"885698"	141.121457333333	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"2814"	425.378924	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"446381"	638.572024	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"823821"	212.185824	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"89283"	851.765124	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"528844"	1278.151324	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"904460"	425.378924	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"57738"	868.791671	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"496204"	1295.177871	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"871819"	442.405471	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"41907"	873.747066	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"478185"	1300.133266	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"852706"	447.360866	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1629900"	447.360866	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"107521"	443.367263	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"547081"	656.560363	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"938410"	230.174163	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"279882"	887.741802	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"673759"	1314.128002	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1281788"	461.355602	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"17787"	889.721006	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"456740"	1316.107206	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"834418"	463.334806	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1567029"	463.334806	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"951994"	471.384394	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"371305"	897.770601	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"353000"	911.786251	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1506584"	485.400051	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"972298"	493.366351	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"123024"	461.355602	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"557845"	674.548702	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1031017"	248.162502	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1255339"	505.305085	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1314137"	507.361072	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1331633"	529.343029	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"925246"	539.371786	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1300493"	575.348464	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1378654"	391.373524	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1395424"	409.3835	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"294747"	853.779676	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"687895"	1280.165876	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1359139"	427.393476	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"129845"	427.393476	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"574877"	640.586576	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1044404"	214.200376	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"214855"	285.264742666667	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"648947"	427.393476	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1163789"	143.136009333333	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"435451"	870.806223	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"792437"	1297.192423	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1683300"	444.420023	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"330033"	435.9067495	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"723065"	649.0998495	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1477454"	222.7136495	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"399783"	875.761618	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"754497"	1302.147818	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1611071"	449.375418	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"320016"	438.384447	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"719002"	651.577547	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1471730"	225.191347	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1063882"	150.463323333333	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1263373"	459.419686	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"383040"	891.735558	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"748415"	1318.121758	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1551559"	465.349358	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"304361"	446.371417	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"698969"	659.564517	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1452790"	233.178317	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"238478"	894.806226	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1210698"	468.420026	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1195425"	234.713651	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"189875"	897.74356	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"628600"	1324.12976	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1142678"	471.35736	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"180500"	449.375418	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"625527"	662.568518	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1127941"	236.182318	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1403445"	157.790637333333	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1442852"	473.398946	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"228900"	454.40844	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1515869"	487.45099	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"414827"	457.362388	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"774728"	670.555488	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1669604"	244.169288	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"256122"	916.788168	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1228827"	490.401968	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1716624"	490.425493	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1187452"	165.117951333333	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1660628"	495.380888	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"165302"	929.69144	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"607052"	1356.07764	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1095938"	503.30524	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"150570"	465.349358	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"589036"	678.542458	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1077924"	252.156258	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1111133"	505.319792	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1347157"	505.407407	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1017149"	509.446576	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1536368"	510.440208	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"998439"	255.226926	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1600963"	511.354828	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1426258"	541.386338	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1158731"	275.740201	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1707189"	558.412885	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1642839"	563.36828	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1583959"	579.34222	"C08624"	"Euphol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"813231"	410.3913	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M"	0
"975828"	391.37291	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-H2O-H"	-19.01839
"70633"	272.586924	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M-3H"	-3.021828
"512378"	409.384024	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M-3H"	-3.021828
"886899"	135.789824	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-3H"	-3.021828
"1101"	409.384024	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M-2H"	-2.014552
"446127"	614.579674	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M-2H"	-2.014552
"825025"	204.188374	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-2H"	-2.014552
"81737"	819.775324	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M-H"	-1.007276
"519230"	1230.166624	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M-H"	-1.007276
"899101"	409.384024	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-H"	-1.007276
"58942"	836.801871	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M-2H+NH4"	16.019271
"495220"	1247.193171	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M-2H+NH4"	16.019271
"874116"	426.410571	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-2H+NH4"	16.019271
"36549"	841.757266	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M-2H+Na"	20.974666
"472215"	1252.148566	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M-2H+Na"	20.974666
"848841"	431.365966	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-2H+Na"	20.974666
"1631467"	431.365966	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Na-2H"	20.974666
"107995"	427.372363	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M-H+Cl"	33.962126
"546826"	632.568013	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M-H+Cl"	33.962126
"939613"	222.176713	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-H+Cl"	33.962126
"279990"	855.752002	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+Cl"	34.969402
"669494"	1266.143302	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+Cl"	34.969402
"1273554"	445.360702	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Cl"	34.969402
"18139"	857.731206	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M-2H+K"	36.948606
"456524"	1268.122506	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M-2H+K"	36.948606
"833557"	447.339906	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-2H+K"	36.948606
"1566775"	447.339906	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+K-2H"	36.948606
"952104"	455.389494	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-H+HCOOH"	44.998194
"372875"	865.780801	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+HCOOH-H"	44.998201
"355297"	879.796451	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+Hac-H"	59.013851
"1500850"	469.405151	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Hac-H"	59.013851
"968389"	477.371451	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-H+NaCOOH"	66.980151
"121676"	445.360702	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+2Cl"	69.938804
"560141"	650.556352	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+2Cl"	69.938804
"1028940"	240.165052	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2Cl"	69.938804
"1255085"	489.310185	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Br"	78.918885
"1314976"	491.366172	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Cl+HCOOH"	80.974872
"1330285"	513.348129	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Cl+NaCOOH"	102.956829
"919521"	523.376886	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M-H+CF3COOH"	112.985586
"1300968"	559.353564	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Cl+CF3COOH"	148.962264
"1378036"	375.378624	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H-2H2O"	-35.012676
"1395899"	393.3886	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H-H2O"	-17.0027
"295585"	821.789876	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+H"	1.007276
"688007"	1232.181176	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+H"	1.007276
"1361073"	411.398576	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H"	1.007276
"133966"	411.398576	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+2H"	2.014552
"574987"	616.594226	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+2H"	2.014552
"1046336"	206.202926	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2H"	2.014552
"218611"	274.601476	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+3H"	3.021828
"649057"	411.398576	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+3H"	3.021828
"1164262"	137.804376	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+3H"	3.021828
"430458"	838.816423	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+NH4"	18.033823
"793640"	1249.207723	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+NH4"	18.033823
"1689970"	428.425123	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+NH4"	18.033823
"330709"	419.9118495	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+H+NH4"	19.041099
"723418"	625.1074995	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+H+NH4"	19.041099
"1477567"	214.7161995	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H+NH4"	19.041099
"396612"	843.771818	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+Na"	22.989218
"755416"	1254.163118	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+Na"	22.989218
"1611181"	433.380518	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Na"	22.989218
"317574"	422.389547	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+H+Na"	23.996494
"719112"	627.585197	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+H+Na"	23.996494
"1471840"	217.193897	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H+Na"	23.996494
"1059616"	145.13169	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2H+Na"	25.00377
"1263483"	443.424786	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+CH3OH+H"	33.033486
"383149"	859.745758	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+K"	38.963158
"749255"	1270.137058	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+K"	38.963158
"1550576"	449.354458	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+K"	38.963158
"306658"	430.376517	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+H+K"	39.970434
"697986"	635.572167	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+H+K"	39.970434
"1449619"	225.180867	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H+K"	39.970434
"239317"	862.816426	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+ACN+H"	42.033826
"1210687"	452.425126	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+ACN+H"	42.033826
"1195173"	226.716201	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+ACN+2H"	43.041102
"189177"	865.75376	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+2Na-H"	44.97116
"629101"	1276.14506	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+2Na-H"	44.97116
"1138413"	455.36246	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2Na-H"	44.97116
"182797"	433.380518	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+2Na"	45.978436
"625638"	638.576168	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+2Na"	45.978436
"1126592"	228.184868	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2Na"	45.978436
"1408295"	152.459004	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H+2Na"	46.985712
"1444056"	457.404046	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H+HCOOH"	47.012746
"230104"	438.41354	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+3H2O+2H"	56.04448
"1517073"	471.45609	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+IsoProp+H"	61.06479
"417853"	441.367488	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+Na+K"	61.952376
"777754"	646.563138	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+Na+K"	61.952376
"1669714"	236.171838	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Na+K"	61.952376
"254047"	884.798368	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+ACN+Na"	64.015768
"1228943"	474.407068	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+ACN+Na"	64.015768
"1720016"	474.430593	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+NH4+HCOOH"	64.039293
"1186470"	159.786318	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+3Na"	68.967654
"1657458"	479.385988	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Na+HCOOH"	68.994688
"166505"	897.70164	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+2K-H"	76.91904
"606068"	1308.09294	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+2K-H"	76.91904
"1095320"	487.31034	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2K-H"	76.91904
"148494"	449.354458	"C08625"	"Fernene"	"C30H50"	"410.3913"	"2M+2K"	77.926316
"588053"	654.550108	"C08625"	"Fernene"	"C30H50"	"410.3913"	"3M+2K"	77.926316
"1079495"	244.158808	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2K"	77.926316
"1112705"	489.324892	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2K+H"	78.933592
"1350308"	489.412507	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+DMSO+H"	79.021207
"1017986"	493.451676	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2ACN+H"	83.060376
"1535385"	494.445308	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+IsoProp+Na+H"	84.054008
"1001465"	247.229476	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+2ACN+2H"	84.067652
"1601440"	495.359928	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+K+HCOOH"	84.968628
"1427826"	525.391438	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+H+CF3COOH"	115.000138
"1160664"	267.742751	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+3ACN+2H"	125.094202
"1706206"	542.417985	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+NH4+CF3COOH"	132.026685
"1644045"	547.37338	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+Na+CF3COOH"	136.98208
"1584069"	563.34732	"C08625"	"Fernene"	"C30H50"	"410.3913"	"M+K+CF3COOH"	152.95602
"806778"	426.3862	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M"	0
"977031"	407.36781	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"72929"	283.250190666667	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510301"	425.378924	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"887008"	141.121457333333	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"9955"	425.378924	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"442958"	638.572024	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"821125"	212.185824	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"81117"	851.765124	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"519461"	1278.151324	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"897387"	425.378924	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"55771"	868.791671	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"495330"	1295.177871	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"869852"	442.405471	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"39939"	873.747066	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"472936"	1300.133266	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"851831"	447.360866	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627931"	447.360866	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"105553"	443.367263	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"541832"	656.560363	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"937534"	230.174163	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"279737"	887.741802	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"668511"	1314.128002	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1282009"	461.355602	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"20194"	889.721006	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"456714"	1316.107206	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"835369"	463.334806	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1559949"	463.334806	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"948927"	471.384394	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"374077"	897.770601	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"355404"	911.786251	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1502050"	485.400051	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"965579"	493.366351	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119598"	461.355602	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"559157"	674.548702	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1029049"	248.162502	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1254827"	505.305085	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1313263"	507.361072	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1331489"	529.343029	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"921454"	539.371786	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1302172"	575.348464	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1379240"	391.373524	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1393455"	409.3835	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"290588"	853.779676	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"690304"	1280.165876	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1358267"	427.393476	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H"	1.007276
"135899"	427.393476	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"575097"	640.586576	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1046811"	214.200376	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"218357"	285.264742666667	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"649167"	427.393476	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1164008"	143.136009333333	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433485"	870.806223	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"792657"	1297.192423	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1688987"	444.420023	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"330212"	435.9067495	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"723854"	649.0998495	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1480230"	222.7136495	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"396722"	875.761618	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"754756"	1302.147818	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1611291"	449.375418	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"319141"	438.384447	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"713753"	651.577547	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1471950"	225.191347	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1060820"	150.463323333333	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1264686"	459.419686	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"385445"	891.735558	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"750458"	1318.121758	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1551779"	465.349358	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+K"	38.963158
"307862"	446.371417	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"698096"	659.564517	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1453009"	233.178317	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"242706"	894.806226	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1212134"	468.420026	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1194918"	234.713651	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"189247"	897.74356	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"629412"	1324.12976	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1138523"	471.35736	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"177437"	449.375418	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"619186"	662.568518	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1123786"	236.182318	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1405123"	157.790637333333	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1441613"	473.398946	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"232036"	454.40844	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1520097"	487.45099	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"421243"	457.362388	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"780051"	670.555488	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1668730"	244.169288	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"253428"	916.788168	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1228324"	490.401968	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720126"	490.425493	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1188765"	165.117951333333	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1658661"	495.380888	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"167708"	929.69144	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"606179"	1356.07764	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1092516"	503.30524	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"148969"	465.349358	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"584882"	678.542458	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1076325"	252.156258	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1108440"	505.319792	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1347015"	505.407407	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1018825"	509.446576	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1534401"	510.440208	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1000118"	255.226926	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1600456"	511.354828	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1426844"	541.386338	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1161139"	275.740201	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1708502"	558.412885	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1646341"	563.36828	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584179"	579.34222	"C08626"	"Friedelin"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"804702"	470.4124	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M"	0
"976776"	451.39401	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-H2O-H"	-19.01839
"70853"	312.600990666667	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M-3H"	-3.021828
"510411"	469.405124	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M-3H"	-3.021828
"884932"	155.796857333333	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-3H"	-3.021828
"3507"	469.405124	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M-2H"	-2.014552
"443432"	704.611324	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M-2H"	-2.014552
"819413"	234.198924	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-2H"	-2.014552
"79281"	939.817524	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M-H"	-1.007276
"519695"	1410.229924	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M-H"	-1.007276
"896768"	469.405124	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-H"	-1.007276
"56974"	956.844071	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M-2H+NH4"	16.019271
"495440"	1427.256471	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M-2H+NH4"	16.019271
"869962"	486.431671	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-2H+NH4"	16.019271
"37863"	961.799466	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M-2H+Na"	20.974666
"472438"	1432.211866	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M-2H+Na"	20.974666
"849024"	491.387066	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-2H+Na"	20.974666
"1628041"	491.387066	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Na-2H"	20.974666
"107850"	487.393463	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M-H+Cl"	33.962126
"546317"	722.599663	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M-H+Cl"	33.962126
"935458"	252.187263	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-H+Cl"	33.962126
"279482"	975.794202	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+Cl"	34.969402
"667528"	1446.206602	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+Cl"	34.969402
"1281026"	505.381802	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Cl"	34.969402
"20304"	977.773406	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M-2H+K"	36.948606
"457797"	1448.185806	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M-2H+K"	36.948606
"836573"	507.361006	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-2H+K"	36.948606
"1556779"	507.361006	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+K-2H"	36.948606
"949037"	515.410594	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-H+HCOOH"	44.998194
"373823"	985.823001	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+HCOOH-H"	44.998201
"354421"	999.838651	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+Hac-H"	59.013851
"1498877"	529.426251	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Hac-H"	59.013851
"967511"	537.392551	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-H+NaCOOH"	66.980151
"119708"	505.381802	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+2Cl"	69.938804
"555985"	740.588002	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+2Cl"	69.938804
"1026972"	270.175602	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2Cl"	69.938804
"1249832"	549.331285	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Br"	78.918885
"1312279"	551.387272	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Cl+HCOOH"	80.974872
"1328682"	573.369229	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Cl+NaCOOH"	102.956829
"920834"	583.397986	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M-H+CF3COOH"	112.985586
"1302283"	619.374664	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Cl+CF3COOH"	148.962264
"1378983"	435.399724	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H-2H2O"	-35.012676
"1392105"	453.4097	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H-H2O"	-17.0027
"290698"	941.832076	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+H"	1.007276
"685309"	1412.244476	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+H"	1.007276
"1359105"	471.419676	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H"	1.007276
"130176"	471.419676	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+2H"	2.014552
"575207"	706.625876	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+2H"	2.014552
"1041817"	236.213476	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2H"	2.014552
"211904"	314.615542666667	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+3H"	3.021828
"652557"	471.419676	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+3H"	3.021828
"1164483"	157.811409333333	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+3H"	3.021828
"430675"	958.858623	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+NH4"	18.033823
"786928"	1429.271023	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+NH4"	18.033823
"1683629"	488.446223	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+NH4"	18.033823
"330064"	479.9329495	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+H+NH4"	19.041099
"723723"	715.1391495	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+H+NH4"	19.041099
"1480340"	244.7267495	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H+NH4"	19.041099
"393673"	963.814018	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+Na"	22.989218
"754422"	1434.226418	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+Na"	22.989218
"1607755"	493.401618	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Na"	22.989218
"318158"	482.410647	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+H+Na"	23.996494
"711309"	717.616847	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+H+Na"	23.996494
"1465497"	247.204447	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H+Na"	23.996494
"1056189"	165.138723333333	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2H+Na"	25.00377
"1261876"	503.445886	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+CH3OH+H"	33.033486
"383366"	979.787958	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+K"	38.963158
"750565"	1450.200358	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+K"	38.963158
"1550796"	509.375558	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+K"	38.963158
"304690"	490.397617	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+H+K"	39.970434
"693102"	725.603817	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+H+K"	39.970434
"1446557"	255.191417	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H+K"	39.970434
"241719"	982.858626	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+ACN+H"	42.033826
"1217708"	512.446226	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+ACN+H"	42.033826
"1194458"	256.726751	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+ACN+2H"	43.041102
"189722"	985.79596	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+2Na-H"	44.97116
"629278"	1456.20836	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+2Na-H"	44.97116
"1137902"	515.38356	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2Na-H"	44.97116
"178275"	493.401618	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+2Na"	45.978436
"620753"	728.607818	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+2Na"	45.978436
"1127173"	258.195418	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2Na"	45.978436
"1408512"	172.466037333333	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H+2Na"	46.985712
"1437348"	517.425146	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H+HCOOH"	47.012746
"229230"	498.43464	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+3H2O+2H"	56.04448
"1518385"	531.47719	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+IsoProp+H"	61.06479
"419166"	501.388588	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+Na+K"	61.952376
"779068"	736.594788	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+Na+K"	61.952376
"1668476"	266.182388	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Na+K"	61.952376
"253537"	1004.840568	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+ACN+Na"	64.015768
"1229161"	534.428168	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+ACN+Na"	64.015768
"1718049"	534.451693	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+NH4+HCOOH"	64.039293
"1189969"	179.793351333333	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+3Na"	68.967654
"1659864"	539.407088	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Na+HCOOH"	68.994688
"167818"	1017.74384	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+2K-H"	76.91904
"607017"	1488.15624	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+2K-H"	76.91904
"1094448"	547.33144	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2K-H"	76.91904
"149807"	509.375558	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"2M+2K"	77.926316
"584991"	744.581758	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"3M+2K"	77.926316
"1079351"	274.169358	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2K"	77.926316
"1113655"	549.345992	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2K+H"	78.933592
"1348948"	549.433607	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+DMSO+H"	79.021207
"1018938"	553.472776	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2ACN+H"	83.060376
"1535605"	554.466408	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+IsoProp+Na+H"	84.054008
"1003874"	277.240026	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+2ACN+2H"	84.067652
"1601539"	555.381028	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+K+HCOOH"	84.968628
"1427319"	585.412538	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+H+CF3COOH"	115.000138
"1160885"	297.753301	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+3ACN+2H"	125.094202
"1708612"	602.439085	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+NH4+CF3COOH"	132.026685
"1646451"	607.39448	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+Na+CF3COOH"	136.98208
"1584289"	623.36842	"C08627"	"Hopane-29-acetate"	"C32H54O2"	"470.4124"	"M+K+CF3COOH"	152.95602
"805176"	426.3862	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M"	0
"976886"	407.36781	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"72056"	283.250190666667	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"514895"	425.378924	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"886136"	141.121457333333	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"6897"	425.378924	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"443179"	638.572024	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"827542"	212.185824	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"80243"	851.765124	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"518599"	1278.151324	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"896634"	425.378924	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"55991"	868.791671	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"492270"	1295.177871	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"870072"	442.405471	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"37972"	873.747066	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"472185"	1300.133266	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"848851"	447.360866	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627058"	447.360866	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"105773"	443.367263	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"548614"	656.560363	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"938848"	230.174163	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"275217"	887.741802	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"667638"	1314.128002	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1280042"	461.355602	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"20414"	889.721006	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"456693"	1316.107206	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"837777"	463.334806	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1556889"	463.334806	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"948052"	471.384394	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"371745"	897.770601	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"350159"	911.786251	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1497529"	485.400051	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"963612"	493.366351	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"115437"	461.355602	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"555002"	674.548702	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1025624"	248.162502	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1247756"	505.305085	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1310204"	507.361072	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1326605"	529.343029	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"919851"	539.371786	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1300569"	575.348464	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1378000"	391.373524	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1391122"	409.3835	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"287526"	853.779676	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"683229"	1280.165876	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1356297"	427.393476	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"129193"	427.393476	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"568755"	640.586576	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1044843"	214.200376	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"212013"	285.264742666667	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"646106"	427.393476	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1164593"	143.136009333333	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"430785"	870.806223	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"787768"	1297.192423	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1682637"	444.420023	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"330001"	435.9067495	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"723225"	649.0998495	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1480450"	222.7136495	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"393083"	875.761618	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"754412"	1302.147818	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1608594"	449.375418	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"317172"	438.384447	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"712511"	651.577547	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1465970"	225.191347	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1057028"	150.463323333333	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1261620"	459.419686	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"381290"	891.735558	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"747760"	1318.121758	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1550906"	465.349358	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"306988"	446.371417	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"698315"	659.564517	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1451043"	233.178317	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"241830"	894.806226	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1217818"	468.420026	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1194529"	234.713651	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"188980"	897.74356	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"629143"	1324.12976	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1138742"	471.35736	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"180573"	449.375418	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"622685"	662.568518	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1119991"	236.182318	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1410444"	157.790637333333	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1440738"	473.398946	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"230434"	454.40844	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1518495"	487.45099	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"419276"	457.362388	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"779178"	670.555488	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1668220"	244.169288	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"255835"	916.788168	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1229273"	490.401968	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1717065"	490.425493	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1182058"	165.117951333333	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1659974"	495.380888	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"167928"	929.69144	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"606396"	1356.07764	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1097108"	503.30524	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"144449"	465.349358	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"582428"	678.542458	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1081649"	252.156258	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1110480"	505.319792	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1345772"	505.407407	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1018682"	509.446576	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1535716"	510.440208	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1004348"	255.226926	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1601040"	511.354828	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1429253"	541.386338	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1162088"	275.740201	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1708722"	558.412885	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1646561"	563.36828	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584399"	579.34222	"C08628"	"Lupeol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"808202"	773.214	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M"	0
"978455"	754.19561	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-H2O-H"	-19.01839
"71073"	514.468724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M-3H"	-3.021828
"516099"	772.206724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M-3H"	-3.021828
"887339"	256.730724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-3H"	-3.021828
"5914"	772.206724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M-2H"	-2.014552
"447663"	1158.813724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M-2H"	-2.014552
"826559"	385.599724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-2H"	-2.014552
"79502"	1545.420724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M-H"	-1.007276
"518735"	2318.634724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M-H"	-1.007276
"898448"	772.206724	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-H"	-1.007276
"56102"	1562.447271	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M-2H+NH4"	16.019271
"491287"	2335.661271	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M-2H+NH4"	16.019271
"867996"	789.233271	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-2H+NH4"	16.019271
"38082"	1567.402666	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M-2H+Na"	20.974666
"472295"	2340.616666	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M-2H+Na"	20.974666
"848716"	794.188666	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-2H+Na"	20.974666
"1624981"	794.188666	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Na-2H"	20.974666
"105520"	790.195063	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M-H+Cl"	33.962126
"547996"	1176.802063	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M-H+Cl"	33.962126
"938230"	403.588063	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-H+Cl"	33.962126
"274232"	1581.397402	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+Cl"	34.969402
"665559"	2354.611402	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+Cl"	34.969402
"1280152"	808.183402	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Cl"	34.969402
"19431"	1583.376606	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M-2H+K"	36.948606
"456803"	2356.590606	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M-2H+K"	36.948606
"838981"	810.162606	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-2H+K"	36.948606
"1556310"	810.162606	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+K-2H"	36.948606
"945975"	818.212194	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-H+HCOOH"	44.998194
"372949"	1591.426201	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+HCOOH-H"	44.998201
"349176"	1605.441851	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+Hac-H"	59.013851
"1494724"	832.227851	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Hac-H"	59.013851
"964452"	840.194151	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-H+NaCOOH"	66.980151
"115547"	808.183402	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+2Cl"	69.938804
"554018"	1194.790402	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+2Cl"	69.938804
"1024641"	421.576402	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2Cl"	69.938804
"1246773"	852.132885	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Br"	78.918885
"1313594"	854.188872	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Cl+HCOOH"	80.974872
"1326715"	876.170829	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Cl+NaCOOH"	102.956829
"918134"	886.199586	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M-H+CF3COOH"	112.985586
"1297763"	922.176264	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Cl+CF3COOH"	148.962264
"1378110"	738.201324	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H-2H2O"	-35.012676
"1390138"	756.2113	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H-H2O"	-17.0027
"288729"	1547.435276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+H"	1.007276
"677139"	2320.649276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+H"	1.007276
"1355313"	774.221276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H"	1.007276
"131490"	774.221276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+2H"	2.014552
"567772"	1160.828276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+2H"	2.014552
"1045317"	387.614276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2H"	2.014552
"212123"	516.483276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+3H"	3.021828
"647309"	774.221276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+3H"	3.021828
"1163852"	258.745276	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+3H"	3.021828
"430895"	1564.461823	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+NH4"	18.033823
"788608"	2337.675823	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+NH4"	18.033823
"1682747"	791.247823	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+NH4"	18.033823
"330540"	782.7345495	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+H+NH4"	19.041099
"723578"	1169.3415495	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+H+NH4"	19.041099
"1480560"	396.1275495	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H+NH4"	19.041099
"393362"	1569.417218	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+Na"	22.989218
"754476"	2342.631218	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+Na"	22.989218
"1608339"	796.203218	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Na"	22.989218
"317283"	785.212247	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+H+Na"	23.996494
"709342"	1171.819247	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+H+Na"	23.996494
"1465351"	398.605247	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H+Na"	23.996494
"1056409"	266.07259	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2H+Na"	25.00377
"1262823"	806.247486	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+CH3OH+H"	33.033486
"382493"	1585.391158	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+K"	38.963158
"750057"	2358.605158	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+K"	38.963158
"1551016"	812.177158	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+K"	38.963158
"308191"	793.199217	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+H+K"	39.970434
"697332"	1179.806217	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+H+K"	39.970434
"1453339"	406.592217	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H+K"	39.970434
"243032"	1588.461826	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+ACN+H"	42.033826
"1219020"	815.247826	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+ACN+H"	42.033826
"1194258"	408.127551	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+ACN+2H"	43.041102
"188583"	1591.39916	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+2Na-H"	44.97116
"628806"	2364.61316	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+2Na-H"	44.97116
"1138852"	818.18516	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2Na-H"	44.97116
"179956"	796.203218	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+2Na"	45.978436
"621702"	1182.810218	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+2Na"	45.978436
"1117550"	409.596218	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2Na"	45.978436
"1405450"	273.399904	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H+2Na"	46.985712
"1439755"	820.226746	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H+HCOOH"	47.012746
"230544"	801.23624	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+3H2O+2H"	56.04448
"1518605"	834.27879	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+IsoProp+H"	61.06479
"422666"	804.190188	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+Na+K"	61.952376
"783297"	1190.797188	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+Na+K"	61.952376
"1669059"	417.583188	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Na+K"	61.952376
"259955"	1610.443768	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+ACN+Na"	64.015768
"1230477"	837.229768	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+ACN+Na"	64.015768
"1721549"	837.253293	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+NH4+HCOOH"	64.039293
"1182168"	280.727218	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+3Na"	68.967654
"1661178"	842.208688	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Na+HCOOH"	68.994688
"169497"	1623.34704	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+2K-H"	76.91904
"606506"	2396.56104	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+2K-H"	76.91904
"1096488"	850.13304	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2K-H"	76.91904
"145651"	812.177158	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"2M+2K"	77.926316
"586304"	1198.784158	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"3M+2K"	77.926316
"1077383"	425.570158	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2K"	77.926316
"1108403"	852.147592	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2K+H"	78.933592
"1338227"	852.235207	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+DMSO+H"	79.021207
"1018787"	856.274376	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2ACN+H"	83.060376
"1538737"	857.268008	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+IsoProp+Na+H"	84.054008
"1003362"	428.640826	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+2ACN+2H"	84.067652
"1600783"	858.182628	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+K+HCOOH"	84.968628
"1428633"	888.214138	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+H+CF3COOH"	115.000138
"1161834"	449.154101	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+3ACN+2H"	125.094202
"1708832"	905.240685	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+NH4+CF3COOH"	132.026685
"1643391"	910.19608	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+Na+CF3COOH"	136.98208
"1584509"	926.17002	"C08629"	"Cyanidin 353-tri-O-glucoside"	"C33H41O21"	"773.214"	"M+K+CF3COOH"	152.95602
"805032"	468.3967	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M"	0
"976378"	449.37831	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-H2O-H"	-19.01839
"71183"	311.257190666667	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M-3H"	-3.021828
"515115"	467.389424	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M-3H"	-3.021828
"887449"	155.124957333333	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-3H"	-3.021828
"3837"	467.389424	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M-2H"	-2.014552
"444493"	701.587774	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M-2H"	-2.014552
"825575"	233.191074	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-2H"	-2.014552
"78963"	935.786124	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M-H"	-1.007276
"518796"	1404.182824	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M-H"	-1.007276
"896491"	467.389424	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-H"	-1.007276
"58399"	952.812671	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M-2H+NH4"	16.019271
"493584"	1421.209371	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M-2H+NH4"	16.019271
"869199"	484.415971	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-2H+NH4"	16.019271
"40380"	957.768066	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M-2H+Na"	20.974666
"472526"	1426.164766	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M-2H+Na"	20.974666
"849029"	489.371366	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-2H+Na"	20.974666
"1627278"	489.371366	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Na-2H"	20.974666
"106724"	485.377763	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M-H+Cl"	33.962126
"547378"	719.576113	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M-H+Cl"	33.962126
"935788"	251.179413	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-H+Cl"	33.962126
"273248"	971.762802	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+Cl"	34.969402
"662510"	1440.159502	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+Cl"	34.969402
"1283178"	503.366102	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Cl"	34.969402
"22820"	973.742006	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M-2H+K"	36.948606
"464566"	1442.138706	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M-2H+K"	36.948606
"840181"	505.345306	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-2H+K"	36.948606
"1560389"	505.345306	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+K-2H"	36.948606
"952643"	513.394894	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-H+HCOOH"	44.998194
"367590"	981.791601	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+HCOOH-H"	44.998201
"349648"	995.807251	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+Hac-H"	59.013851
"1497749"	527.410551	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Hac-H"	59.013851
"967842"	535.376851	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-H+NaCOOH"	66.980151
"114926"	503.366102	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+2Cl"	69.938804
"556315"	737.564452	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+2Cl"	69.938804
"1029484"	269.167752	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2Cl"	69.938804
"1247975"	547.315585	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Br"	78.918885
"1310423"	549.371572	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Cl+HCOOH"	80.974872
"1334117"	571.353529	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Cl+NaCOOH"	102.956829
"920067"	581.382286	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M-H+CF3COOH"	112.985586
"1301518"	617.358964	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Cl+CF3COOH"	148.962264
"1379313"	433.384024	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H-2H2O"	-35.012676
"1391341"	451.394	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H-H2O"	-17.0027
"288839"	937.800676	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+H"	1.007276
"678707"	1406.197376	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+H"	1.007276
"1357610"	469.403976	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H"	1.007276
"133787"	469.403976	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+2H"	2.014552
"570068"	703.602326	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+2H"	2.014552
"1049438"	235.205626	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2H"	2.014552
"210046"	313.271742666667	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+3H"	3.021828
"646326"	469.403976	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+3H"	3.021828
"1166635"	157.139509333333	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+3H"	3.021828
"434285"	954.827223	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+NH4"	18.033823
"789811"	1423.223923	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+NH4"	18.033823
"1682857"	486.430523	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+NH4"	18.033823
"330246"	477.9172495	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+H+NH4"	19.041099
"724661"	712.1155995	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+H+NH4"	19.041099
"1481763"	243.7188995	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H+NH4"	19.041099
"394001"	959.782618	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+Na"	22.989218
"755969"	1428.179318	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+Na"	22.989218
"1608448"	491.385918	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Na"	22.989218
"317393"	480.394947	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+H+Na"	23.996494
"714191"	714.593297	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+H+Na"	23.996494
"1464731"	246.196597	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H+Na"	23.996494
"1057247"	164.466823333333	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2H+Na"	25.00377
"1262934"	501.430186	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+CH3OH+H"	33.033486
"381510"	975.756558	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+K"	38.963158
"749074"	1444.153258	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+K"	38.963158
"1548940"	507.359858	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+K"	38.963158
"307208"	488.381917	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+H+K"	39.970434
"697443"	722.580267	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+H+K"	39.970434
"1454542"	254.183567	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H+K"	39.970434
"243142"	978.827226	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+ACN+H"	42.033826
"1218036"	510.430526	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+ACN+H"	42.033826
"1194994"	255.718901	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+ACN+2H"	43.041102
"188869"	981.76456	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+2Na-H"	44.97116
"628878"	1450.16126	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+2Na-H"	44.97116
"1140055"	513.36786	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2Na-H"	44.97116
"185657"	491.385918	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+2Na"	45.978436
"621812"	725.584268	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+2Na"	45.978436
"1116931"	257.187568	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2Na"	45.978436
"1409935"	171.794137333333	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H+2Na"	46.985712
"1441688"	515.409446	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H+HCOOH"	47.012746
"233937"	496.41894	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+3H2O+2H"	56.04448
"1521998"	529.46149	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+IsoProp+H"	61.06479
"422291"	499.372888	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+Na+K"	61.952376
"783407"	733.571238	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+Na+K"	61.952376
"1670994"	265.174538	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Na+K"	61.952376
"257878"	1000.809168	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+ACN+Na"	64.015768
"1230952"	532.412468	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+ACN+Na"	64.015768
"1717652"	532.435993	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+NH4+HCOOH"	64.039293
"1186289"	179.121451333333	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+3Na"	68.967654
"1654724"	537.391388	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Na+HCOOH"	68.994688
"162682"	1013.71244	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+2K-H"	76.91904
"600422"	1482.10914	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+2K-H"	76.91904
"1086756"	545.31574	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2K-H"	76.91904
"142843"	507.359858	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"2M+2K"	77.926316
"583134"	741.558208	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"3M+2K"	77.926316
"1074213"	273.161508	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2K"	77.926316
"1108513"	547.330292	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2K+H"	78.933592
"1345630"	547.417907	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+DMSO+H"	79.021207
"1016711"	551.457076	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2ACN+H"	83.060376
"1538847"	552.450708	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+IsoProp+Na+H"	84.054008
"1003472"	276.232176	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+2ACN+2H"	84.067652
"1601627"	553.365328	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+K+HCOOH"	84.968628
"1429109"	583.396838	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+H+CF3COOH"	115.000138
"1161946"	296.745451	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+3ACN+2H"	125.094202
"1708943"	600.423385	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+NH4+CF3COOH"	132.026685
"1643501"	605.37878	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+Na+CF3COOH"	136.98208
"1584619"	621.35272	"C08630"	"Lupeol acetate;3-Acetyllupeol"	"C32H52O2"	"468.3967"	"M+K+CF3COOH"	152.95602
"810609"	444.3603	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M"	0
"984142"	425.34191	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-H2O-H"	-19.01839
"72385"	295.232924	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M-3H"	-3.021828
"515955"	443.353024	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M-3H"	-3.021828
"888653"	147.112824	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-3H"	-3.021828
"3947"	443.353024	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M-2H"	-2.014552
"444603"	665.533174	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M-2H"	-2.014552
"827872"	221.172874	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-2H"	-2.014552
"84584"	887.713324	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M-H"	-1.007276
"519764"	1332.073624	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M-H"	-1.007276
"901948"	443.353024	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-H"	-1.007276
"59602"	904.739871	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M-2H+NH4"	16.019271
"494787"	1349.100171	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M-2H+NH4"	16.019271
"872589"	460.379571	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-2H+NH4"	16.019271
"43405"	909.695266	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M-2H+Na"	20.974666
"472757"	1354.055566	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M-2H+Na"	20.974666
"850315"	465.334966	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-2H+Na"	20.974666
"1628482"	465.334966	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Na-2H"	20.974666
"107930"	461.341363	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M-H+Cl"	33.962126
"546760"	683.521513	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M-H+Cl"	33.962126
"936991"	239.161213	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-H+Cl"	33.962126
"275545"	923.690002	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+Cl"	34.969402
"662499"	1368.050302	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+Cl"	34.969402
"1283652"	479.329702	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Cl"	34.969402
"22930"	925.669206	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M-2H+K"	36.948606
"467957"	1370.029506	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M-2H+K"	36.948606
"839198"	481.308906	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-2H+K"	36.948606
"1560498"	481.308906	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+K-2H"	36.948606
"949473"	489.358494	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-H+HCOOH"	44.998194
"368793"	933.718801	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+HCOOH-H"	44.998201
"348665"	947.734451	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+Hac-H"	59.013851
"1496766"	503.374151	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Hac-H"	59.013851
"966858"	511.340451	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-H+NaCOOH"	66.980151
"116132"	479.329702	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+2Cl"	69.938804
"558607"	701.509852	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+2Cl"	69.938804
"1032874"	257.149552	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2Cl"	69.938804
"1250268"	523.279185	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Br"	78.918885
"1314541"	525.335172	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Cl+HCOOH"	80.974872
"1331306"	547.317129	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Cl+NaCOOH"	102.956829
"917990"	557.345886	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M-H+CF3COOH"	112.985586
"1301261"	593.322564	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Cl+CF3COOH"	148.962264
"1377966"	409.347624	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H-2H2O"	-35.012676
"1392180"	427.3576	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H-H2O"	-17.0027
"288949"	889.727876	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+H"	1.007276
"678089"	1334.088176	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+H"	1.007276
"1357720"	445.367576	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H"	1.007276
"134990"	445.367576	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+2H"	2.014552
"569084"	667.547726	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+2H"	2.014552
"1048453"	223.187426	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2H"	2.014552
"209063"	297.247476	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+3H"	3.021828
"648622"	445.367576	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+3H"	3.021828
"1165652"	149.127376	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+3H"	3.021828
"433302"	906.754423	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+NH4"	18.033823
"787734"	1351.114723	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+NH4"	18.033823
"1683696"	462.394123	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+NH4"	18.033823
"332701"	453.8808495	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+H+NH4"	19.041099
"723433"	676.0609995	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+H+NH4"	19.041099
"1480780"	231.7006995	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H+NH4"	19.041099
"396176"	911.709818	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+Na"	22.989218
"755350"	1356.070118	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+Na"	22.989218
"1607099"	467.349518	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Na"	22.989218
"318596"	456.358547	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+H+Na"	23.996494
"716487"	678.538697	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+H+Na"	23.996494
"1469216"	234.178397	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H+Na"	23.996494
"1062460"	156.45469	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2H+Na"	25.00377
"1264138"	477.393786	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+CH3OH+H"	33.033486
"384900"	927.683758	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+K"	38.963158
"751370"	1372.044058	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+K"	38.963158
"1551238"	483.323458	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+K"	38.963158
"307318"	464.345517	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+H+K"	39.970434
"699740"	686.525667	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+H+K"	39.970434
"1454652"	242.165367	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H+K"	39.970434
"244344"	930.754426	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+ACN+H"	42.033826
"1217052"	486.394126	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+ACN+H"	42.033826
"1194290"	243.700701	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+ACN+2H"	43.041102
"189181"	933.69176	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+2Na-H"	44.97116
"629357"	1378.05206	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+2Na-H"	44.97116
"1140166"	489.33146	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2Na-H"	44.97116
"184916"	467.349518	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+2Na"	45.978436
"621558"	689.529668	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+2Na"	45.978436
"1119956"	245.169368	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2Na"	45.978436
"1408588"	163.782004	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H+2Na"	46.985712
"1442527"	491.373046	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H+HCOOH"	47.012746
"234167"	472.38254	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+3H2O+2H"	56.04448
"1522107"	505.42509	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+IsoProp+H"	61.06479
"419242"	475.336488	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+Na+K"	61.952376
"779507"	697.516638	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+Na+K"	61.952376
"1672927"	253.156338	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Na+K"	61.952376
"259446"	952.736368	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+ACN+Na"	64.015768
"1231791"	508.376068	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+ACN+Na"	64.015768
"1717762"	508.399593	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+NH4+HCOOH"	64.039293
"1188222"	171.109318	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+3Na"	68.967654
"1656657"	513.354988	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Na+HCOOH"	68.994688
"162063"	965.63964	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+2K-H"	76.91904
"606728"	1409.99994	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+2K-H"	76.91904
"1091241"	521.27934	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2K-H"	76.91904
"145871"	483.323458	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"2M+2K"	77.926316
"584337"	705.503608	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"3M+2K"	77.926316
"1077603"	261.143308	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2K"	77.926316
"1112633"	523.293892	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2K+H"	78.933592
"1346104"	523.381507	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+DMSO+H"	79.021207
"1016822"	527.420676	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2ACN+H"	83.060376
"1538108"	528.414308	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+IsoProp+Na+H"	84.054008
"1003582"	264.213976	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+2ACN+2H"	84.067652
"1601367"	529.328928	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+K+HCOOH"	84.968628
"1427029"	559.360438	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+H+CF3COOH"	115.000138
"1161688"	284.727251	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+3ACN+2H"	125.094202
"1705773"	576.386985	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+NH4+CF3COOH"	132.026685
"1643611"	581.34238	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+Na+CF3COOH"	136.98208
"1584729"	597.31632	"C08631"	"Messagenin"	"C29H48O3"	"444.3603"	"M+K+CF3COOH"	152.95602
"808532"	604.3975	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M"	0
"979878"	585.37911	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-H2O-H"	-19.01839
"69214"	401.924390666667	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M-3H"	-3.021828
"512055"	603.390224	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M-3H"	-3.021828
"885483"	200.458557333333	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-3H"	-3.021828
"4057"	603.390224	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M-2H"	-2.014552
"444713"	905.588974	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M-2H"	-2.014552
"828347"	301.191474	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-2H"	-2.014552
"84694"	1207.787724	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M-H"	-1.007276
"520610"	1812.185224	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M-H"	-1.007276
"903151"	603.390224	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-H"	-1.007276
"55337"	1224.814271	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M-2H+NH4"	16.019271
"492710"	1829.211771	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M-2H+NH4"	16.019271
"872699"	620.416771	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-2H+NH4"	16.019271
"38412"	1229.769666	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M-2H+Na"	20.974666
"475783"	1834.167166	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M-2H+Na"	20.974666
"851518"	625.372166	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-2H+Na"	20.974666
"1625311"	625.372166	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Na-2H"	20.974666
"102934"	621.378563	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M-H+Cl"	33.962126
"543586"	923.577313	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M-H+Cl"	33.962126
"937100"	319.179813	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-H+Cl"	33.962126
"273468"	1243.764402	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+Cl"	34.969402
"664795"	1848.161902	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+Cl"	34.969402
"1281575"	639.366902	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Cl"	34.969402
"23040"	1245.743606	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M-2H+K"	36.948606
"468067"	1850.141106	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M-2H+K"	36.948606
"840401"	641.346106	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-2H+K"	36.948606
"1560608"	641.346106	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+K-2H"	36.948606
"948490"	649.395694	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-H+HCOOH"	44.998194
"365623"	1253.793201	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+HCOOH-H"	44.998201
"350594"	1267.808851	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+Hac-H"	59.013851
"1495784"	663.411351	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Hac-H"	59.013851
"964416"	671.377651	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-H+NaCOOH"	66.980151
"113690"	639.366902	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+2Cl"	69.938804
"556530"	941.565652	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+2Cl"	69.938804
"1028609"	337.168152	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2Cl"	69.938804
"1249284"	683.316385	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Br"	78.918885
"1313920"	685.372372	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Cl+HCOOH"	80.974872
"1329230"	707.354329	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Cl+NaCOOH"	102.956829
"919193"	717.383086	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M-H+CF3COOH"	112.985586
"1301371"	753.359764	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Cl+CF3COOH"	148.962264
"1378075"	569.384824	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H-2H2O"	-35.012676
"1389372"	587.3948	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H-H2O"	-17.0027
"291245"	1209.802276	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+H"	1.007276
"677831"	1814.199776	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+H"	1.007276
"1357466"	605.404776	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H"	1.007276
"127445"	605.404776	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+2H"	2.014552
"566643"	907.603526	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+2H"	2.014552
"1044554"	303.206026	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2H"	2.014552
"208079"	403.938942666667	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+3H"	3.021828
"647638"	605.404776	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+3H"	3.021828
"1165762"	202.473109333333	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+3H"	3.021828
"431225"	1226.828823	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+NH4"	18.033823
"788572"	1831.226323	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+NH4"	18.033823
"1682713"	622.431323	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+NH4"	18.033823
"331717"	613.9180495	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+H+NH4"	19.041099
"725973"	916.1167995	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+H+NH4"	19.041099
"1481983"	311.7192995	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H+NH4"	19.041099
"396286"	1231.784218	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+Na"	22.989218
"758375"	1836.181718	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+Na"	22.989218
"1608668"	627.386718	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Na"	22.989218
"318706"	616.395747	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+H+Na"	23.996494
"714411"	918.594497	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+H+Na"	23.996494
"1465680"	314.196997	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H+Na"	23.996494
"1062570"	209.800423333333	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2H+Na"	25.00377
"1265341"	637.430986	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+CH3OH+H"	33.033486
"385010"	1247.758158	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+K"	38.963158
"747106"	1852.155658	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+K"	38.963158
"1548067"	643.360658	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+K"	38.963158
"307428"	624.382717	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+H+K"	39.970434
"698756"	926.581467	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+H+K"	39.970434
"1451482"	322.183967	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H+K"	39.970434
"245548"	1250.828826	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+ACN+H"	42.033826
"1218256"	646.431326	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+ACN+H"	42.033826
"1195457"	323.719301	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+ACN+2H"	43.041102
"191002"	1253.76616	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+2Na-H"	44.97116
"629222"	1858.16366	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+2Na-H"	44.97116
"1139180"	649.36866	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2Na-H"	44.97116
"181377"	627.386718	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+2Na"	45.978436
"623125"	929.585468	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+2Na"	45.978436
"1120066"	325.187968	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2Na"	45.978436
"1408698"	217.127737333333	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H+2Na"	46.985712
"1444460"	651.410246	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H+HCOOH"	47.012746
"231967"	632.41974	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+3H2O+2H"	56.04448
"1522825"	665.46229	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+IsoProp+H"	61.06479
"421904"	635.373688	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+Na+K"	61.952376
"782534"	937.572438	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+Na+K"	61.952376
"1675954"	333.174938	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Na+K"	61.952376
"260285"	1272.810768	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+ACN+Na"	64.015768
"1231172"	668.413268	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+ACN+Na"	64.015768
"1720788"	668.436793	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+NH4+HCOOH"	64.039293
"1185781"	224.455051333333	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+3Na"	68.967654
"1652392"	673.392188	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Na+HCOOH"	68.994688
"161442"	1285.71404	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+2K-H"	76.91904
"604650"	1890.11154	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+2K-H"	76.91904
"1093538"	681.31654	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2K-H"	76.91904
"145981"	643.360658	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"2M+2K"	77.926316
"586636"	945.559408	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"3M+2K"	77.926316
"1077714"	341.161908	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2K"	77.926316
"1103269"	683.331092	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2K+H"	78.933592
"1345123"	683.418707	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+DMSO+H"	79.021207
"1018025"	687.457876	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2ACN+H"	83.060376
"1532872"	688.451508	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+IsoProp+Na+H"	84.054008
"999320"	344.232576	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+2ACN+2H"	84.067652
"1598198"	689.366128	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+K+HCOOH"	84.968628
"1428232"	719.397638	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+H+CF3COOH"	115.000138
"1158518"	364.745851	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+3ACN+2H"	125.094202
"1703696"	736.424185	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+NH4+CF3COOH"	132.026685
"1643721"	741.37958	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+Na+CF3COOH"	136.98208
"1584839"	757.35352	"C08632"	"Papyriferic acid"	"C35H56O8"	"604.3975"	"M+K+CF3COOH"	152.95602
"805362"	464.2927	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M"	0
"984360"	445.27431	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-H2O-H"	-19.01839
"68230"	308.521190666667	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M-3H"	-3.021828
"511072"	463.285424	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M-3H"	-3.021828
"886686"	153.756957333333	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-3H"	-3.021828
"4167"	463.285424	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M-2H"	-2.014552
"444823"	695.431774	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M-2H"	-2.014552
"828092"	231.139074	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-2H"	-2.014552
"81888"	927.578124	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M-H"	-1.007276
"519869"	1391.870824	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M-H"	-1.007276
"903261"	463.285424	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-H"	-1.007276
"55447"	944.604671	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M-2H+NH4"	16.019271
"492820"	1408.897371	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M-2H+NH4"	16.019271
"869529"	480.311971	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-2H+NH4"	16.019271
"37429"	949.560066	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M-2H+Na"	20.974666
"475894"	1413.852766	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M-2H+Na"	20.974666
"854787"	485.267366	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-2H+Na"	20.974666
"1627608"	485.267366	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Na-2H"	20.974666
"103043"	481.273763	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M-H+Cl"	33.962126
"544790"	713.420113	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M-H+Cl"	33.962126
"935024"	249.127413	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-H+Cl"	33.962126
"272485"	963.554802	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+Cl"	34.969402
"664905"	1427.847502	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+Cl"	34.969402
"1285332"	499.262102	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Cl"	34.969402
"24244"	965.534006	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M-2H+K"	36.948606
"465990"	1429.826706	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M-2H+K"	36.948606
"840511"	501.241306	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-2H+K"	36.948606
"1563998"	501.241306	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+K-2H"	36.948606
"951880"	509.290894	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-H+HCOOH"	44.998194
"365001"	973.583601	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+HCOOH-H"	44.998201
"351433"	987.599251	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+Hac-H"	59.013851
"1496987"	523.306551	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Hac-H"	59.013851
"962341"	531.272851	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-H+NaCOOH"	66.980151
"114165"	499.262102	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+2Cl"	69.938804
"556642"	731.408452	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+2Cl"	69.938804
"1029814"	267.115752	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2Cl"	69.938804
"1251584"	543.211585	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Br"	78.918885
"1315125"	545.267572	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Cl+HCOOH"	80.974872
"1328247"	567.249529	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Cl+NaCOOH"	102.956829
"917482"	577.278286	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M-H+CF3COOH"	112.985586
"1300388"	613.254964	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Cl+CF3COOH"	148.962264
"1376363"	429.280024	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H-2H2O"	-35.012676
"1389482"	447.29	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H-H2O"	-17.0027
"290263"	929.592676	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+H"	1.007276
"677941"	1393.885376	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+H"	1.007276
"1356847"	465.299976	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H"	1.007276
"128041"	465.299976	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+2H"	2.014552
"568575"	697.446326	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+2H"	2.014552
"1045757"	233.153626	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2H"	2.014552
"207460"	310.535742666667	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+3H"	3.021828
"647748"	465.299976	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+3H"	3.021828
"1165873"	155.771509333333	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+3H"	3.021828
"431336"	946.619223	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+NH4"	18.033823
"789047"	1410.911923	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+NH4"	18.033823
"1683553"	482.326523	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+NH4"	18.033823
"330369"	473.8132495	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+H+NH4"	19.041099
"723897"	705.9595995	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+H+NH4"	19.041099
"1482093"	241.6668995	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H+NH4"	19.041099
"394452"	951.574618	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+Na"	22.989218
"755206"	1415.867318	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+Na"	22.989218
"1608778"	487.281918	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Na"	22.989218
"323189"	476.290947	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+H+Na"	23.996494
"716708"	708.437297	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+H+Na"	23.996494
"1469436"	244.144597	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H+Na"	23.996494
"1062679"	163.098823333333	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2H+Na"	25.00377
"1267638"	497.326186	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+CH3OH+H"	33.033486
"387306"	967.548558	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+K"	38.963158
"741744"	1431.841258	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+K"	38.963158
"1541976"	503.255858	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+K"	38.963158
"303160"	484.277917	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+H+K"	39.970434
"693395"	716.424267	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+H+K"	39.970434
"1452681"	252.131567	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H+K"	39.970434
"244562"	970.619226	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+ACN+H"	42.033826
"1216176"	506.326526	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+ACN+H"	42.033826
"1195805"	253.666901	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+ACN+2H"	43.041102
"188924"	973.55656	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+2Na-H"	44.97116
"628550"	1437.84926	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+2Na-H"	44.97116
"1136010"	509.26386	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2Na-H"	44.97116
"181487"	487.281918	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+2Na"	45.978436
"623235"	719.428268	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+2Na"	45.978436
"1119084"	255.135568	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2Na"	45.978436
"1408078"	170.426137333333	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H+2Na"	46.985712
"1441653"	511.305446	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H+HCOOH"	47.012746
"232077"	492.31494	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+3H2O+2H"	56.04448
"1521963"	525.35749	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+IsoProp+H"	61.06479
"422015"	495.268888	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+Na+K"	61.952376
"782280"	727.415238	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+Na+K"	61.952376
"1672780"	263.122538	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Na+K"	61.952376
"261488"	992.601168	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+ACN+Na"	64.015768
"1235291"	528.308468	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+ACN+Na"	64.015768
"1721991"	528.331993	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+NH4+HCOOH"	64.039293
"1188437"	177.753451333333	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+3Na"	68.967654
"1657241"	533.287388	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Na+HCOOH"	68.994688
"165195"	1005.50444	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+2K-H"	76.91904
"602573"	1469.79714	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+2K-H"	76.91904
"1091460"	541.21174	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2K-H"	76.91904
"146091"	503.255858	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"2M+2K"	77.926316
"584557"	735.402208	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"3M+2K"	77.926316
"1080008"	271.109508	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2K"	77.926316
"1101192"	543.226292	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2K+H"	78.933592
"1340859"	543.313907	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+DMSO+H"	79.021207
"1012668"	547.353076	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2ACN+H"	83.060376
"1529701"	548.346708	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+IsoProp+Na+H"	84.054008
"997245"	274.180176	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+2ACN+2H"	84.067652
"1595028"	549.261328	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+K+HCOOH"	84.968628
"1423967"	579.292838	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+H+CF3COOH"	115.000138
"1161908"	294.693451	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+3ACN+2H"	125.094202
"1702713"	596.319385	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+NH4+CF3COOH"	132.026685
"1643831"	601.27478	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+Na+CF3COOH"	136.98208
"1584949"	617.24872	"C08633"	"Pristimerin"	"C30H40O4"	"464.2927"	"M+K+CF3COOH"	152.95602
"805472"	474.3709	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M"	0
"982283"	455.35251	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-H2O-H"	-19.01839
"68341"	315.239990666667	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M-3H"	-3.021828
"510088"	473.363624	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M-3H"	-3.021828
"884609"	157.116357333333	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-3H"	-3.021828
"7557"	473.363624	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M-2H"	-2.014552
"444933"	710.549074	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M-2H"	-2.014552
"828202"	236.178174	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-2H"	-2.014552
"81998"	947.734524	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M-H"	-1.007276
"523016"	1422.105424	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M-H"	-1.007276
"900454"	473.363624	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-H"	-1.007276
"52277"	964.761071	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M-2H+NH4"	16.019271
"495117"	1439.131971	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M-2H+NH4"	16.019271
"867452"	490.390171	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-2H+NH4"	16.019271
"38631"	969.716466	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M-2H+Na"	20.974666
"479284"	1444.087366	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M-2H+Na"	20.974666
"854899"	495.345566	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-2H+Na"	20.974666
"1629541"	495.345566	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Na-2H"	20.974666
"102060"	491.351963	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M-H+Cl"	33.962126
"545265"	728.537413	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M-H+Cl"	33.962126
"935134"	254.166513	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-H+Cl"	33.962126
"275874"	983.711202	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+Cl"	34.969402
"671575"	1458.082102	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+Cl"	34.969402
"1284713"	509.340302	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Cl"	34.969402
"25446"	985.690406	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M-2H+K"	36.948606
"468287"	1460.061306	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M-2H+K"	36.948606
"842441"	511.319506	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-2H+K"	36.948606
"1565201"	511.319506	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+K-2H"	36.948606
"956001"	519.369094	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-H+HCOOH"	44.998194
"363654"	993.740001	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+HCOOH-H"	44.998201
"348992"	1007.755651	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+Hac-H"	59.013851
"1494911"	533.384751	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Hac-H"	59.013851
"961722"	541.351051	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-H+NaCOOH"	66.980151
"114275"	509.340302	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+2Cl"	69.938804
"555659"	746.525752	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+2Cl"	69.938804
"1028831"	272.154852	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2Cl"	69.938804
"1248408"	553.289785	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Br"	78.918885
"1310861"	555.345772	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Cl+HCOOH"	80.974872
"1328357"	577.327729	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Cl+NaCOOH"	102.956829
"917227"	587.356486	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M-H+CF3COOH"	112.985586
"1297218"	623.333164	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Cl+CF3COOH"	148.962264
"1376473"	439.358224	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H-2H2O"	-35.012676
"1389593"	457.3682	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H-H2O"	-17.0027
"288185"	949.749076	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+H"	1.007276
"678782"	1424.119976	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+H"	1.007276
"1356957"	475.378176	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H"	1.007276
"128758"	475.378176	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+2H"	2.014552
"566863"	712.563626	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+2H"	2.014552
"1044774"	238.192726	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2H"	2.014552
"205260"	317.254542666667	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+3H"	3.021828
"644739"	475.378176	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+3H"	3.021828
"1167077"	159.130909333333	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+3H"	3.021828
"428165"	966.775623	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+NH4"	18.033823
"790252"	1441.146523	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+NH4"	18.033823
"1685488"	492.404723	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+NH4"	18.033823
"329985"	483.8914495	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+H+NH4"	19.041099
"727287"	721.0768995	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+H+NH4"	19.041099
"1481109"	246.7059995	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H+NH4"	19.041099
"395415"	971.731018	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+Na"	22.989218
"757868"	1446.101918	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+Na"	22.989218
"1608887"	497.360118	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Na"	22.989218
"324392"	486.369147	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+H+Na"	23.996494
"719005"	723.554597	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+H+Na"	23.996494
"1470640"	249.183697	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H+Na"	23.996494
"1062789"	166.458223333333	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2H+Na"	25.00377
"1265561"	507.404386	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+CH3OH+H"	33.033486
"387416"	987.704958	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+K"	38.963158
"741126"	1462.075858	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+K"	38.963158
"1545002"	513.334058	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+K"	38.963158
"301083"	494.356117	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+H+K"	39.970434
"693505"	731.541567	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+H+K"	39.970434
"1454978"	257.170667	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H+K"	39.970434
"244674"	990.775626	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+ACN+H"	42.033826
"1214101"	516.404726	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+ACN+H"	42.033826
"1196161"	258.706001	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+ACN+2H"	43.041102
"190857"	993.71296	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+2Na-H"	44.97116
"628753"	1468.08386	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+2Na-H"	44.97116
"1135752"	519.34206	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2Na-H"	44.97116
"175759"	497.360118	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+2Na"	45.978436
"618970"	734.545568	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+2Na"	45.978436
"1120650"	260.174668	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2Na"	45.978436
"1408188"	173.785537333333	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H+2Na"	46.985712
"1442127"	521.383646	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H+HCOOH"	47.012746
"231092"	502.39314	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+3H2O+2H"	56.04448
"1522802"	535.43569	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+IsoProp+H"	61.06479
"422124"	505.347088	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+Na+K"	61.952376
"782026"	742.532538	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+Na+K"	61.952376
"1675077"	268.161638	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Na+K"	61.952376
"261598"	1012.757568	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+ACN+Na"	64.015768
"1235401"	538.386668	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+ACN+Na"	64.015768
"1723194"	538.410193	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+NH4+HCOOH"	64.039293
"1188548"	181.112851333333	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+3Na"	68.967654
"1655528"	543.365588	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Na+HCOOH"	68.994688
"162389"	1025.66084	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+2K-H"	76.91904
"601951"	1500.03174	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+2K-H"	76.91904
"1091570"	551.28994	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2K-H"	76.91904
"149481"	513.334058	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"2M+2K"	77.926316
"586854"	750.519508	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"3M+2K"	77.926316
"1074646"	276.148608	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2K"	77.926316
"1103483"	553.304492	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2K+H"	78.933592
"1347525"	553.392107	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+DMSO+H"	79.021207
"1012777"	557.431276	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2ACN+H"	83.060376
"1530905"	558.424908	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+IsoProp+Na+H"	84.054008
"997354"	279.219276	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+2ACN+2H"	84.067652
"1595138"	559.339528	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+K+HCOOH"	84.968628
"1421890"	589.371038	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+H+CF3COOH"	115.000138
"1158738"	299.732551	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+3ACN+2H"	125.094202
"1703916"	606.397585	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+NH4+CF3COOH"	132.026685
"1643941"	611.35298	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+Na+CF3COOH"	136.98208
"1585059"	627.32692	"C08634"	"Sapelin A"	"C30H50O4"	"474.3709"	"M+K+CF3COOH"	152.95602
"805582"	702.2888	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M"	0
"975833"	683.27041	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-H2O-H"	-19.01839
"68451"	467.185257333333	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M-3H"	-3.021828
"513844"	701.281524	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M-3H"	-3.021828
"884719"	233.088990666667	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-3H"	-3.021828
"2201"	701.281524	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M-2H"	-2.014552
"448323"	1052.425924	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M-2H"	-2.014552
"827949"	350.137124	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-2H"	-2.014552
"81744"	1403.570324	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M-H"	-1.007276
"519604"	2105.859124	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M-H"	-1.007276
"896920"	701.281524	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-H"	-1.007276
"54574"	1420.596871	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M-2H+NH4"	16.019271
"495228"	2122.885671	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M-2H+NH4"	16.019271
"869749"	718.308071	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-2H+NH4"	16.019271
"42024"	1425.552266	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M-2H+Na"	20.974666
"479395"	2127.841066	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M-2H+Na"	20.974666
"857197"	723.263466	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-2H+Na"	20.974666
"1629651"	723.263466	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Na-2H"	20.974666
"103263"	719.269863	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M-H+Cl"	33.962126
"546469"	1070.414263	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M-H+Cl"	33.962126
"937795"	368.125463	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-H+Cl"	33.962126
"278903"	1439.547002	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+Cl"	34.969402
"672782"	2141.835802	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+Cl"	34.969402
"1285553"	737.258202	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Cl"	34.969402
"28108"	1441.526206	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M-2H+K"	36.948606
"469131"	2143.815006	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M-2H+K"	36.948606
"842918"	739.237406	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-2H+K"	36.948606
"1567498"	739.237406	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+K-2H"	36.948606
"955019"	747.286994	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-H+HCOOH"	44.998194
"365946"	1449.575801	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+HCOOH-H"	44.998201
"354200"	1463.591451	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+Hac-H"	59.013851
"1495019"	761.302651	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Hac-H"	59.013851
"961466"	769.268951	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-H+NaCOOH"	66.980151
"115116"	737.258202	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+2Cl"	69.938804
"555769"	1088.402602	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+2Cl"	69.938804
"1030401"	386.113802	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2Cl"	69.938804
"1251802"	781.207685	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Br"	78.918885
"1315344"	783.263672	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Cl+HCOOH"	80.974872
"1325189"	805.245629	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Cl+NaCOOH"	102.956829
"923900"	815.274386	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M-H+CF3COOH"	112.985586
"1297328"	851.251064	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Cl+CF3COOH"	148.962264
"1376219"	667.276124	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H-2H2O"	-35.012676
"1395538"	685.2861	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H-H2O"	-17.0027
"290484"	1405.584876	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+H"	1.007276
"682906"	2107.873676	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+H"	1.007276
"1359983"	703.296076	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H"	1.007276
"131060"	703.296076	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+2H"	2.014552
"567338"	1054.440476	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+2H"	2.014552
"1038325"	352.151676	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2H"	2.014552
"207319"	469.199809333333	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+3H"	3.021828
"649066"	703.296076	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+3H"	3.021828
"1169375"	235.103542666667	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+3H"	3.021828
"428274"	1422.611423	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+NH4"	18.033823
"793642"	2124.900223	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+NH4"	18.033823
"1685598"	720.322623	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+NH4"	18.033823
"330954"	711.8093495	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+H+NH4"	19.041099
"725210"	1062.9537495	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+H+NH4"	19.041099
"1479399"	360.6649495	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H+NH4"	19.041099
"397715"	1427.566818	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+Na"	22.989218
"757978"	2129.855618	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+Na"	22.989218
"1605717"	725.278018	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Na"	22.989218
"322319"	714.287047	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+H+Na"	23.996494
"710369"	1065.431447	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+H+Na"	23.996494
"1467470"	363.142647	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H+Na"	23.996494
"1061810"	242.430856666667	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2H+Na"	25.00377
"1265674"	735.322286	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+CH3OH+H"	33.033486
"386434"	1443.540758	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+K"	38.963158
"740142"	2145.829558	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+K"	38.963158
"1539913"	741.251958	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+K"	38.963158
"299372"	722.274017	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+H+K"	39.970434
"692521"	1073.418417	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+H+K"	39.970434
"1453996"	371.129617	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H+K"	39.970434
"241502"	1446.611426	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+ACN+H"	42.033826
"1215304"	744.322626	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+ACN+H"	42.033826
"1194525"	372.664951	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+ACN+2H"	43.041102
"188849"	1449.54876	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+2Na-H"	44.97116
"628734"	2151.83756	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+2Na-H"	44.97116
"1134406"	747.25996	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2Na-H"	44.97116
"176239"	725.278018	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+2Na"	45.978436
"616161"	1076.422418	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+2Na"	45.978436
"1128054"	374.133618	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2Na"	45.978436
"1408298"	249.758170666667	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H+2Na"	46.985712
"1444060"	749.301546	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H+HCOOH"	47.012746
"233028"	730.31104	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+3H2O+2H"	56.04448
"1521089"	763.35359	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+IsoProp+H"	61.06479
"418950"	733.264988	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+Na+K"	61.952376
"784689"	1084.409388	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+Na+K"	61.952376
"1671907"	382.120588	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Na+K"	61.952376
"261710"	1468.593368	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+ACN+Na"	64.015768
"1235513"	766.304568	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+ACN+Na"	64.015768
"1718931"	766.328093	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+NH4+HCOOH"	64.039293
"1184285"	257.085484666667	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+3Na"	68.967654
"1655274"	771.283488	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Na+HCOOH"	68.994688
"162863"	1481.49664	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+2K-H"	76.91904
"601697"	2183.78544	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+2K-H"	76.91904
"1091680"	779.20784	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2K-H"	76.91904
"149591"	741.251958	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"2M+2K"	77.926316
"586964"	1092.396358	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"3M+2K"	77.926316
"1072570"	390.107558	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2K"	77.926316
"1103594"	781.222392	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2K+H"	78.933592
"1347635"	781.310007	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+DMSO+H"	79.021207
"1015073"	785.349176	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2ACN+H"	83.060376
"1533202"	786.342808	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+IsoProp+Na+H"	84.054008
"995274"	393.178226	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+2ACN+2H"	84.067652
"1597432"	787.257428	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+K+HCOOH"	84.968628
"1423091"	817.288938	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+H+CF3COOH"	115.000138
"1156660"	413.691501	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+3ACN+2H"	125.094202
"1707305"	834.315485	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+NH4+CF3COOH"	132.026685
"1644051"	839.27088	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+Na+CF3COOH"	136.98208
"1585169"	855.24482	"C08635"	"Taccalonolide A"	"C36H46O14"	"702.2888"	"M+K+CF3COOH"	152.95602
"816390"	426.3862	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M"	0
"987974"	407.36781	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"77317"	283.250190666667	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"515777"	425.378924	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"895005"	141.121457333333	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"14343"	425.378924	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"455369"	638.572024	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"831952"	212.185824	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"90969"	851.765124	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"531867"	1278.151324	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"910767"	425.378924	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"62741"	868.791671	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"502150"	1295.177871	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"879101"	442.405471	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"45540"	873.747066	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"481331"	1300.133266	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"859495"	447.360866	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1633539"	447.360866	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"109822"	443.367263	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549258"	656.560363	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"938636"	230.174163	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"278650"	887.741802	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"671436"	1314.128002	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1286755"	461.355602	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"29676"	889.721006	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"468872"	1316.107206	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"844121"	463.334806	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1565425"	463.334806	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"956224"	471.384394	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"365694"	897.770601	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"348487"	911.786251	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1499873"	485.400051	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"962673"	493.366351	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"118509"	461.355602	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"559162"	674.548702	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1029053"	248.162502	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1248267"	505.305085	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1315454"	507.361072	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1328576"	529.343029	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"922917"	539.371786	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1298531"	575.348464	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1373413"	391.373524	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1393097"	409.3835	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"292783"	853.779676	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"685932"	1280.165876	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1360822"	427.393476	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"131534"	427.393476	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"574010"	640.586576	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1044998"	214.200376	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"212897"	285.264742666667	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"651363"	427.393476	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1169487"	143.136009333333	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"430571"	870.806223	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"796668"	1297.192423	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1690084"	444.420023	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"337268"	435.9067495	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"724590"	649.0998495	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1478044"	222.7136495	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"395997"	875.761618	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"758815"	1302.147818	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1612388"	449.375418	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"322429"	438.384447	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"715948"	651.577547	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1474144"	225.191347	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1061921"	150.463323333333	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1269065"	459.419686	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"389463"	891.735558	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"745360"	1318.121758	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1544133"	465.349358	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"303495"	446.371417	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"696280"	659.564517	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1453015"	233.178317	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"243802"	894.806226	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1218699"	468.420026	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1200394"	234.713651	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"189002"	897.74356	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"629420"	1324.12976	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1136339"	471.35736	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"176349"	449.375418	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"613716"	662.568518	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1117222"	236.182318	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1408407"	157.790637333333	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1443804"	473.398946	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"234231"	454.40844	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1523389"	487.45099	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"423071"	457.362388	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"783707"	670.555488	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1677483"	244.169288	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"254164"	916.788168	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1226874"	490.401968	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720136"	490.425493	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1186582"	165.117951333333	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1652830"	495.380888	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"163339"	929.69144	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"597794"	1356.07764	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1086321"	503.30524	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"151890"	465.349358	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"586710"	678.542458	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1074868"	252.156258	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1103705"	505.319792	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1343372"	505.407407	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1014091"	509.446576	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1532218"	510.440208	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"992470"	255.226926	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1588794"	511.354828	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1419922"	541.386338	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1152397"	275.740201	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1703043"	558.412885	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1637599"	563.36828	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1585279"	579.34222	"C08636"	"Taraxasterol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"805802"	426.3862	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M"	0
"982613"	407.36781	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"77057"	283.250190666667	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"515887"	425.378924	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"894420"	141.121457333333	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"13357"	425.378924	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"455230"	638.572024	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"830721"	212.185824	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"92537"	851.765124	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"530274"	1278.151324	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"909659"	425.378924	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"62336"	868.791671	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"502261"	1295.177871	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"878360"	442.405471	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"46099"	873.747066	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"481805"	1300.133266	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"858512"	447.360866	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1632434"	447.360866	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"108354"	443.367263	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549736"	656.560363	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"939474"	230.174163	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"279488"	887.741802	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"670817"	1314.128002	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287472"	461.355602	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30878"	889.721006	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"468617"	1316.107206	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"845325"	463.334806	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1568451"	463.334806	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"954510"	471.384394	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"364348"	897.770601	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"347260"	911.786251	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1499983"	485.400051	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"962783"	493.366351	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"117526"	461.355602	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"558179"	674.548702	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1028070"	248.162502	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1247649"	505.305085	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1312284"	507.361072	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1328686"	529.343029	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"923027"	539.371786	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1298641"	575.348464	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1373523"	391.373524	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1393207"	409.3835	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"292529"	853.779676	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"684220"	1280.165876	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1357288"	427.393476	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"133467"	427.393476	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"574120"	640.586576	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1047294"	214.200376	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"214101"	285.264742666667	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"651473"	427.393476	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1168504"	143.136009333333	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"428494"	870.806223	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"797142"	1297.192423	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1690194"	444.420023	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"336285"	435.9067495	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"724092"	649.0998495	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1478643"	222.7136495	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"394284"	875.761618	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"757831"	1302.147818	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1609218"	449.375418	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"322539"	438.384447	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"713872"	651.577547	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1475347"	225.191347	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1060937"	150.463323333333	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1264802"	459.419686	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"387751"	891.735558	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"745470"	1318.121758	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1545336"	465.349358	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"303605"	446.371417	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"697119"	659.564517	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1453126"	233.178317	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"242819"	894.806226	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1218809"	468.420026	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1195398"	234.713651	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"188679"	897.74356	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"628713"	1324.12976	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1136449"	471.35736	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"177552"	449.375418	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"615285"	662.568518	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1119522"	236.182318	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1408517"	157.790637333333	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1437351"	473.398946	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"235071"	454.40844	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1523132"	487.45099	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"422452"	457.362388	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"783818"	670.555488	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1675407"	244.169288	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257554"	916.788168	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1232453"	490.401968	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720611"	490.425493	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1186692"	165.117951333333	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1652212"	495.380888	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"163450"	929.69144	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"598632"	1356.07764	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1089712"	503.30524	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"152000"	465.349358	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"586091"	678.542458	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1072792"	252.156258	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1109648"	505.319792	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1346762"	505.407407	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1017481"	509.446576	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1532328"	510.440208	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"991122"	255.226926	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1592187"	511.354828	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1418939"	541.386338	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1149592"	275.740201	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1704246"	558.412885	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1640991"	563.36828	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1585389"	579.34222	"C08637"	"Taraxerol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"805912"	420.2664	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M"	0
"979443"	401.24801	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-H2O-H"	-19.01839
"75343"	279.170324	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M-3H"	-3.021828
"509435"	419.259124	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M-3H"	-3.021828
"887239"	139.081524	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-3H"	-3.021828
"11280"	419.259124	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M-2H"	-2.014552
"454489"	629.392324	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M-2H"	-2.014552
"829737"	209.125924	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-2H"	-2.014552
"92645"	839.525524	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M-H"	-1.007276
"528196"	1259.791924	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M-H"	-1.007276
"910619"	419.259124	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-H"	-1.007276
"61593"	856.552071	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M-2H+NH4"	16.019271
"500300"	1276.818471	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M-2H+NH4"	16.019271
"879404"	436.285671	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-2H+NH4"	16.019271
"47055"	861.507466	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M-2H+Na"	20.974666
"485806"	1281.773866	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M-2H+Na"	20.974666
"859718"	441.241066	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-2H+Na"	20.974666
"1633266"	441.241066	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Na-2H"	20.974666
"109952"	437.247463	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M-H+Cl"	33.962126
"549110"	647.380663	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M-H+Cl"	33.962126
"936669"	227.114263	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-H+Cl"	33.962126
"274129"	875.502202	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+Cl"	34.969402
"668738"	1295.768602	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+Cl"	34.969402
"1281143"	455.235802	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Cl"	34.969402
"25886"	877.481406	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M-2H+K"	36.948606
"462167"	1297.747806	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M-2H+K"	36.948606
"839968"	457.215006	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-2H+K"	36.948606
"1560541"	457.215006	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+K-2H"	36.948606
"950243"	465.264594	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-H+HCOOH"	44.998194
"365186"	885.531001	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+HCOOH-H"	44.998201
"349071"	899.546651	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+Hac-H"	59.013851
"1495715"	479.280251	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Hac-H"	59.013851
"960341"	487.246551	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-H+NaCOOH"	66.980151
"113262"	455.235802	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+2Cl"	69.938804
"555008"	665.369002	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+2Cl"	69.938804
"1027088"	245.102602	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2Cl"	69.938804
"1251040"	499.185285	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Br"	78.918885
"1313487"	501.241272	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Cl+HCOOH"	80.974872
"1329890"	523.223229	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Cl+NaCOOH"	102.956829
"922043"	533.251986	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M-H+CF3COOH"	112.985586
"1293284"	569.228664	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Cl+CF3COOH"	148.962264
"1373634"	385.253724	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H-2H2O"	-35.012676
"1393317"	403.2637	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H-H2O"	-17.0027
"295919"	841.540076	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+H"	1.007276
"687247"	1261.806476	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+H"	1.007276
"1354120"	421.273676	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H"	1.007276
"133577"	421.273676	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+2H"	2.014552
"574231"	631.406876	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+2H"	2.014552
"1041936"	211.140476	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2H"	2.014552
"209837"	281.184876	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+3H"	3.021828
"652677"	421.273676	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+3H"	3.021828
"1170802"	141.096076	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+3H"	3.021828
"431886"	858.566623	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+NH4"	18.033823
"789600"	1278.833023	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+NH4"	18.033823
"1688117"	438.300223	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+NH4"	18.033823
"336397"	429.7869495	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+H+NH4"	19.041099
"724443"	639.9201495	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+H+NH4"	19.041099
"1477145"	219.6537495	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H+NH4"	19.041099
"392841"	863.522018	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+Na"	22.989218
"754232"	1283.788418	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+Na"	22.989218
"1606412"	443.255618	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Na"	22.989218
"323742"	432.264647	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+H+Na"	23.996494
"713982"	642.397847	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+H+Na"	23.996494
"1474364"	222.131447	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H+Na"	23.996494
"1059953"	148.42339	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2H+Na"	25.00377
"1267099"	453.299886	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+CH3OH+H"	33.033486
"384580"	879.495958	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+K"	38.963158
"747767"	1299.762358	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+K"	38.963158
"1547634"	459.229558	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+K"	38.963158
"306996"	440.251617	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+H+K"	39.970434
"695044"	650.384817	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+H+K"	39.970434
"1452142"	230.118417	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H+K"	39.970434
"244025"	882.566626	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+ACN+H"	42.033826
"1218918"	462.300226	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+ACN+H"	42.033826
"1200248"	231.653751	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+ACN+2H"	43.041102
"189105"	885.50396	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+2Na-H"	44.97116
"629152"	1305.77036	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+2Na-H"	44.97116
"1136559"	465.23756	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2Na-H"	44.97116
"177662"	443.255618	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+2Na"	45.978436
"615395"	653.388818	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+2Na"	45.978436
"1120360"	233.122418	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2Na"	45.978436
"1409720"	155.750704	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H+2Na"	46.985712
"1435275"	467.279146	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H+HCOOH"	47.012746
"223877"	448.28864	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+3H2O+2H"	56.04448
"1521783"	481.33119	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+IsoProp+H"	61.06479
"419282"	451.242588	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+Na+K"	61.952376
"785021"	661.375788	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+Na+K"	61.952376
"1674424"	241.109388	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Na+K"	61.952376
"260945"	904.548568	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+ACN+Na"	64.015768
"1229647"	484.282168	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+ACN+Na"	64.015768
"1719627"	484.305693	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+NH4+HCOOH"	64.039293
"1188990"	163.078018	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+3Na"	68.967654
"1656698"	489.261088	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Na+HCOOH"	68.994688
"167936"	917.45184	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+2K-H"	76.91904
"605306"	1337.71824	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+2K-H"	76.91904
"1089822"	497.18544	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2K-H"	76.91904
"152110"	459.229558	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"2M+2K"	77.926316
"587294"	669.362758	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"3M+2K"	77.926316
"1075089"	249.096358	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2K"	77.926316
"1110122"	499.199992	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2K+H"	78.933592
"1346509"	499.287607	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+DMSO+H"	79.021207
"1013217"	503.326776	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2ACN+H"	83.060376
"1533529"	504.320408	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+IsoProp+Na+H"	84.054008
"994510"	252.167026	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+2ACN+2H"	84.067652
"1593388"	505.235028	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+K+HCOOH"	84.968628
"1417955"	535.266538	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+H+CF3COOH"	115.000138
"1149702"	272.680301	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+3ACN+2H"	125.094202
"1699983"	552.293085	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+NH4+CF3COOH"	132.026685
"1644381"	557.24848	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+Na+CF3COOH"	136.98208
"1585499"	573.22242	"C08638"	"Tingenone"	"C28H36O3"	"420.2664"	"M+K+CF3COOH"	152.95602
"806022"	611.1612	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M"	0
"976273"	592.14281	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H2O-H"	-19.01839
"75453"	406.433524	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-3H"	-3.021828
"509545"	610.153924	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-3H"	-3.021828
"884069"	202.713124	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-3H"	-3.021828
"8110"	610.153924	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H"	-2.014552
"454599"	915.734524	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H"	-2.014552
"829847"	304.573324	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H"	-2.014552
"90568"	1221.315124	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-H"	-1.007276
"529399"	1832.476324	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-H"	-1.007276
"911291"	610.153924	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H"	-1.007276
"62635"	1238.341671	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H+NH4"	16.019271
"500045"	1849.502871	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H+NH4"	16.019271
"879597"	627.180471	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H+NH4"	16.019271
"46687"	1243.297066	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H+Na"	20.974666
"486901"	1854.458266	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H+Na"	20.974666
"859830"	632.135866	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H+Na"	20.974666
"1633865"	632.135866	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na-2H"	20.974666
"109960"	628.142263	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-H+Cl"	33.962126
"546546"	933.722863	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-H+Cl"	33.962126
"935686"	322.561663	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+Cl"	33.962126
"276426"	1257.291802	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Cl"	34.969402
"666663"	1868.453002	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+Cl"	34.969402
"1280160"	646.130602	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl"	34.969402
"23810"	1259.271006	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H+K"	36.948606
"458995"	1870.432206	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H+K"	36.948606
"836798"	648.109806	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H+K"	36.948606
"1558463"	648.109806	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K-2H"	36.948606
"945980"	656.159394	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+HCOOH"	44.998194
"364204"	1267.320601	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+HCOOH-H"	44.998201
"348085"	1281.336251	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Hac-H"	59.013851
"1495825"	670.175051	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Hac-H"	59.013851
"963364"	678.141351	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+NaCOOH"	66.980151
"111305"	646.130602	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2Cl"	69.938804
"554026"	951.711202	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2Cl"	69.938804
"1030479"	340.550002	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2Cl"	69.938804
"1250057"	690.080085	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Br"	78.918885
"1307037"	692.136072	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl+HCOOH"	80.974872
"1327814"	714.118029	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl+NaCOOH"	102.956829
"915593"	724.146786	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+CF3COOH"	112.985586
"1294489"	760.123464	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl+CF3COOH"	148.962264
"1377025"	576.148524	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H-2H2O"	-35.012676
"1393427"	594.1585	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H-H2O"	-17.0027
"292021"	1223.329676	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H"	1.007276
"677881"	1834.490876	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H"	1.007276
"1355323"	612.168476	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H"	1.007276
"136967"	612.168476	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2H"	2.014552
"577622"	917.749076	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2H"	2.014552
"1043139"	306.587876	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2H"	2.014552
"211041"	408.448076	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+3H"	3.021828
"648414"	612.168476	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+3H"	3.021828
"1164350"	204.727676	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+3H"	3.021828
"428717"	1240.356223	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+NH4"	18.033823
"789711"	1851.517423	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+NH4"	18.033823
"1688227"	629.195023	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+NH4"	18.033823
"333591"	620.6817495	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H+NH4"	19.041099
"724674"	926.2623495	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H+NH4"	19.041099
"1477349"	315.1011495	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+NH4"	19.041099
"393414"	1245.311618	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Na"	22.989218
"754770"	1856.472818	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+Na"	22.989218
"1606158"	634.150418	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na"	22.989218
"323852"	623.159447	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H+Na"	23.996494
"719557"	928.740047	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H+Na"	23.996494
"1475203"	317.578847	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+Na"	23.996494
"1064437"	212.05499	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2H+Na"	25.00377
"1265022"	644.194686	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+CH3OH+H"	33.033486
"386876"	1261.285558	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+K"	38.963158
"747877"	1872.446758	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+K"	38.963158
"1548838"	650.124358	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K"	38.963158
"306013"	631.146417	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H+K"	39.970434
"696248"	936.727017	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H+K"	39.970434
"1449336"	325.565817	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+K"	39.970434
"238301"	1264.356226	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+ACN+H"	42.033826
"1215748"	653.195026	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+ACN+H"	42.033826
"1200359"	327.101151	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+ACN+2H"	43.041102
"188560"	1267.29356	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2Na-H"	44.97116
"628543"	1878.45476	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2Na-H"	44.97116
"1137762"	656.13236	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2Na-H"	44.97116
"178865"	634.150418	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2Na"	45.978436
"616234"	939.731018	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2Na"	45.978436
"1120836"	328.569818	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2Na"	45.978436
"1409830"	219.382304	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+2Na"	46.985712
"1435385"	658.173946	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+HCOOH"	47.012746
"225080"	639.18344	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+3H2O+2H"	56.04448
"1515330"	672.22599	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+IsoProp+H"	61.06479
"415017"	642.137388	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Na+K"	61.952376
"785009"	947.717988	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+Na+K"	61.952376
"1673440"	336.556788	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na+K"	61.952376
"255222"	1286.338168	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+ACN+Na"	64.015768
"1230487"	675.176968	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+ACN+Na"	64.015768
"1720467"	675.200493	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+NH4+HCOOH"	64.039293
"1188008"	226.709618	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+3Na"	68.967654
"1656808"	680.155888	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na+HCOOH"	68.994688
"168410"	1299.24144	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2K-H"	76.91904
"605416"	1910.40264	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2K-H"	76.91904
"1089932"	688.08024	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2K-H"	76.91904
"155501"	650.124358	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2K"	77.926316
"587406"	955.704958	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2K"	77.926316
"1075199"	344.543758	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2K"	77.926316
"1110596"	690.094792	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2K+H"	78.933592
"1346983"	690.182407	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+DMSO+H"	79.021207
"1014421"	694.221576	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2ACN+H"	83.060376
"1532548"	695.215208	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+IsoProp+Na+H"	84.054008
"994621"	347.614426	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2ACN+2H"	84.067652
"1593498"	696.129828	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K+HCOOH"	84.968628
"1420251"	726.161338	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+CF3COOH"	115.000138
"1149812"	368.127701	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+3ACN+2H"	125.094202
"1697298"	743.187885	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+NH4+CF3COOH"	132.026685
"1644491"	748.14328	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na+CF3COOH"	136.98208
"1585609"	764.11722	"C08639"	"Cyanin;Cyanidin 35-di-O-glucoside;Cyanidin 35-O-diglucoside;Cyanidin 35-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K+CF3COOH"	152.95602
"812694"	789.2089	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M"	0
"976385"	770.19051	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-H2O-H"	-19.01839
"69001"	525.131990666667	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M-3H"	-3.021828
"509655"	788.201624	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M-3H"	-3.021828
"887459"	262.062357333333	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-3H"	-3.021828
"12962"	788.201624	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M-2H"	-2.014552
"453979"	1182.806074	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M-2H"	-2.014552
"831540"	393.597174	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-2H"	-2.014552
"92988"	1577.410524	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M-H"	-1.007276
"529509"	2366.619424	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M-H"	-1.007276
"910358"	788.201624	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-H"	-1.007276
"61937"	1594.437071	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M-2H+NH4"	16.019271
"502805"	2383.645971	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M-2H+NH4"	16.019271
"879875"	805.228171	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-2H+NH4"	16.019271
"46721"	1599.392466	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M-2H+Na"	20.974666
"486516"	2388.601366	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M-2H+Na"	20.974666
"861642"	810.183566	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-2H+Na"	20.974666
"1633251"	810.183566	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Na-2H"	20.974666
"108196"	806.189963	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M-H+Cl"	33.962126
"546658"	1200.794413	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M-H+Cl"	33.962126
"937985"	411.585513	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-H+Cl"	33.962126
"280552"	1613.387202	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+Cl"	34.969402
"670055"	2402.596102	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+Cl"	34.969402
"1280270"	824.178302	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Cl"	34.969402
"23919"	1615.366406	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M-2H+K"	36.948606
"458380"	2404.575306	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M-2H+K"	36.948606
"833996"	826.157506	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-2H+K"	36.948606
"1558209"	826.157506	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+K-2H"	36.948606
"947185"	834.207094	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-H+HCOOH"	44.998194
"362491"	1623.416001	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+HCOOH-H"	44.998201
"347103"	1637.431651	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+Hac-H"	59.013851
"1495940"	848.222751	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Hac-H"	59.013851
"962389"	856.189051	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-H+NaCOOH"	66.980151
"110322"	824.178302	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+2Cl"	69.938804
"555231"	1218.782752	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+2Cl"	69.938804
"1032778"	429.573852	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2Cl"	69.938804
"1250168"	868.127785	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Br"	78.918885
"1311522"	870.183772	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Cl+HCOOH"	80.974872
"1325739"	892.165729	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Cl+NaCOOH"	102.956829
"916799"	902.194486	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M-H+CF3COOH"	112.985586
"1296787"	938.171164	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Cl+CF3COOH"	148.962264
"1378959"	754.196224	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H-2H2O"	-35.012676
"1395725"	772.2062	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H-H2O"	-17.0027
"285572"	1579.425076	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+H"	1.007276
"681275"	2368.633976	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+H"	1.007276
"1359810"	790.216176	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H"	1.007276
"129058"	790.216176	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+2H"	2.014552
"572265"	1184.820626	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+2H"	2.014552
"1045439"	395.611726	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2H"	2.014552
"208966"	527.146542666667	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+3H"	3.021828
"647069"	790.216176	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+3H"	3.021828
"1166285"	264.076909333333	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+3H"	3.021828
"426640"	1596.451623	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+NH4"	18.033823
"787998"	2385.660523	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+NH4"	18.033823
"1685058"	807.242723	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+NH4"	18.033823
"333701"	798.7294495	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+H+NH4"	19.041099
"725028"	1193.3338995	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+H+NH4"	19.041099
"1477514"	404.1249995	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H+NH4"	19.041099
"398631"	1601.407018	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+Na"	22.989218
"755614"	2390.615918	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+Na"	22.989218
"1607362"	812.198118	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Na"	22.989218
"323962"	801.207147	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+H+Na"	23.996494
"717119"	1195.811597	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+H+Na"	23.996494
"1474220"	406.602697	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H+Na"	23.996494
"1060175"	271.404223333333	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2H+Na"	25.00377
"1268781"	822.242386	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+CH3OH+H"	33.033486
"388082"	1617.380958	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+K"	38.963158
"750903"	2406.589858	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+K"	38.963158
"1551135"	828.172058	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+K"	38.963158
"303938"	809.194117	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+H+K"	39.970434
"694172"	1203.798567	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+H+K"	39.970434
"1446898"	414.589667	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H+K"	39.970434
"237318"	1620.451626	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+ACN+H"	42.033826
"1211484"	831.242726	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+ACN+H"	42.033826
"1196825"	416.125001	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+ACN+2H"	43.041102
"188672"	1623.38896	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+2Na-H"	44.97116
"631809"	2412.59786	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+2Na-H"	44.97116
"1145167"	834.18006	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2Na-H"	44.97116
"185538"	812.198118	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+2Na"	45.978436
"622911"	1206.802568	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+2Na"	45.978436
"1126417"	417.593668	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2Na"	45.978436
"1411403"	278.731537333333	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H+2Na"	46.985712
"1442788"	836.221646	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H+HCOOH"	47.012746
"231753"	817.23114	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+3H2O+2H"	56.04448
"1518720"	850.27369	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+IsoProp+H"	61.06479
"421695"	820.185088	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+Na+K"	61.952376
"781595"	1214.789538	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+Na+K"	61.952376
"1673555"	425.580638	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Na+K"	61.952376
"258982"	1642.433568	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+ACN+Na"	64.015768
"1231690"	853.224668	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+ACN+Na"	64.015768
"1719483"	853.248193	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+NH4+HCOOH"	64.039293
"1186662"	286.058851333333	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+3Na"	68.967654
"1656919"	858.203588	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Na+HCOOH"	68.994688
"161223"	1655.33684	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+2K-H"	76.91904
"604434"	2444.54574	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+2K-H"	76.91904
"1093324"	866.12794	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2K-H"	76.91904
"152334"	828.172058	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"2M+2K"	77.926316
"594812"	1222.776508	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"3M+2K"	77.926316
"1083334"	433.567608	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2K"	77.926316
"1104150"	868.142492	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2K+H"	78.933592
"1349280"	868.230107	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+DMSO+H"	79.021207
"1017811"	872.269276	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2ACN+H"	83.060376
"1528284"	873.262908	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+IsoProp+Na+H"	84.054008
"998011"	436.638276	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+2ACN+2H"	84.067652
"1599075"	874.177528	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+K+HCOOH"	84.968628
"1421455"	904.209038	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+H+CF3COOH"	115.000138
"1156118"	457.151551	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+3ACN+2H"	125.094202
"1700203"	921.235585	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+NH4+CF3COOH"	132.026685
"1644601"	926.19098	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+Na+CF3COOH"	136.98208
"1585719"	942.16492	"C08640"	"Delphinidin 335-tri-O-glucoside"	"C33H41O22"	"789.2089"	"M+K+CF3COOH"	152.95602
"806242"	1113.2723	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M"	0
"976857"	1094.25391	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-H2O-H"	-19.01839
"66924"	741.174257333333	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M-3H"	-3.021828
"507578"	1112.265024	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M-3H"	-3.021828
"890849"	370.083490666667	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-3H"	-3.021828
"5050"	1112.265024	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M-2H"	-2.014552
"454089"	1668.901174	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M-2H"	-2.014552
"830797"	555.628874	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-2H"	-2.014552
"91881"	2225.537324	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M-H"	-1.007276
"529619"	3338.809624	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M-H"	-1.007276
"910710"	1112.265024	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-H"	-1.007276
"62292"	2242.563871	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M-2H+NH4"	16.019271
"501967"	3355.836171	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M-2H+NH4"	16.019271
"878802"	1129.291571	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-2H+NH4"	16.019271
"46093"	2247.519266	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M-2H+Na"	20.974666
"485286"	3360.791566	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M-2H+Na"	20.974666
"854582"	1134.246966	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-2H+Na"	20.974666
"1632510"	1134.246966	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Na-2H"	20.974666
"107208"	1130.253363	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M-H+Cl"	33.962126
"549080"	1686.889513	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M-H+Cl"	33.962126
"938095"	573.617213	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-H+Cl"	33.962126
"281271"	2261.514002	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+Cl"	34.969402
"667978"	3374.786302	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+Cl"	34.969402
"1280381"	1148.241702	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Cl"	34.969402
"20750"	2263.493206	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M-2H+K"	36.948606
"457032"	3376.765506	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M-2H+K"	36.948606
"834590"	1150.220906	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-2H+K"	36.948606
"1558685"	1150.220906	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+K-2H"	36.948606
"944743"	1158.270494	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-H+HCOOH"	44.998194
"367702"	2271.542801	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+HCOOH-H"	44.998201
"346965"	2285.558451	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+Hac-H"	59.013851
"1497143"	1172.286151	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Hac-H"	59.013851
"963584"	1180.252451	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-H+NaCOOH"	66.980151
"110312"	1148.241702	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+2Cl"	69.938804
"555341"	1704.877852	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+2Cl"	69.938804
"1032524"	591.605552	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2Cl"	69.938804
"1250278"	1192.191185	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Br"	78.918885
"1308352"	1194.247172	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Cl+HCOOH"	80.974872
"1322202"	1216.229129	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Cl+NaCOOH"	102.956829
"918001"	1226.257886	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M-H+CF3COOH"	112.985586
"1292523"	1262.234564	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Cl+CF3COOH"	148.962264
"1373965"	1078.259624	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H-2H2O"	-35.012676
"1387088"	1096.2696	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H-H2O"	-17.0027
"283613"	2227.551876	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+H"	1.007276
"680290"	3340.824176	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+H"	1.007276
"1358826"	1114.279576	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H"	1.007276
"130621"	1114.279576	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+2H"	2.014552
"573468"	1670.915726	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+2H"	2.014552
"1045549"	557.643426	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2H"	2.014552
"208713"	743.188809333333	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+3H"	3.021828
"649730"	1114.279576	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+3H"	3.021828
"1166395"	372.098042666667	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+3H"	3.021828
"427115"	2244.578423	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+NH4"	18.033823
"789932"	3357.850723	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+NH4"	18.033823
"1685169"	1131.306123	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+NH4"	18.033823
"332718"	1122.7928495	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+H+NH4"	19.041099
"724774"	1679.4289995	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+H+NH4"	19.041099
"1479692"	566.1566995	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H+NH4"	19.041099
"398377"	2249.533818	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+Na"	22.989218
"757547"	3362.806118	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+Na"	22.989218
"1607472"	1136.261518	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Na"	22.989218
"319698"	1125.270547	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+H+Na"	23.996494
"718322"	1681.906697	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+H+Na"	23.996494
"1474330"	568.634397	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H+Na"	23.996494
"1062471"	379.425356666667	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2H+Na"	25.00377
"1268524"	1146.305786	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+CH3OH+H"	33.033486
"386003"	2265.507758	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+K"	38.963158
"750285"	3378.780058	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+K"	38.963158
"1551975"	1152.235458	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+K"	38.963158
"305142"	1133.257517	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+H+K"	39.970434
"693188"	1689.893667	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+H+K"	39.970434
"1453569"	576.621367	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H+K"	39.970434
"237064"	2268.578426	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+ACN+H"	42.033826
"1213052"	1155.306126	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+ACN+H"	42.033826
"1196570"	578.156701	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+ACN+2H"	43.041102
"192356"	2271.51576	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+2Na-H"	44.97116
"634107"	3384.78806	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+2Na-H"	44.97116
"1144916"	1158.24346	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2Na-H"	44.97116
"184555"	1136.261518	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+2Na"	45.978436
"623021"	1692.897668	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+2Na"	45.978436
"1123611"	579.625368	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2Na"	45.978436
"1405675"	386.752670666667	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H+2Na"	46.985712
"1436695"	1160.285046	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H+HCOOH"	47.012746
"230770"	1141.29454	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+3H2O+2H"	56.04448
"1515550"	1174.33709	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+IsoProp+H"	61.06479
"422897"	1144.248488	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+Na+K"	61.952376
"783526"	1700.884638	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+Na+K"	61.952376
"1670384"	587.612338	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Na+K"	61.952376
"259092"	2290.560368	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+ACN+Na"	64.015768
"1229976"	1177.288068	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+ACN+Na"	64.015768
"1718499"	1177.311593	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+NH4+HCOOH"	64.039293
"1187135"	394.079984666667	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+3Na"	68.967654
"1655935"	1182.266988	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Na+HCOOH"	68.994688
"160609"	2303.46364	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+2K-H"	76.91904
"599077"	3416.73594	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+2K-H"	76.91904
"1091248"	1190.19134	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2K-H"	76.91904
"155727"	1152.235458	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"2M+2K"	77.926316
"594923"	1708.871608	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"3M+2K"	77.926316
"1083811"	595.599308	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2K"	77.926316
"1113008"	1192.205892	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2K+H"	78.933592
"1349390"	1192.293507	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+DMSO+H"	79.021207
"1013547"	1196.332676	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2ACN+H"	83.060376
"1537140"	1197.326308	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+IsoProp+Na+H"	84.054008
"1001401"	598.669976	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+2ACN+2H"	84.067652
"1596998"	1198.240928	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+K+HCOOH"	84.968628
"1422658"	1228.272438	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+H+CF3COOH"	115.000138
"1161210"	619.183251	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+3ACN+2H"	125.094202
"1703593"	1245.298985	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+NH4+CF3COOH"	132.026685
"1644711"	1250.25438	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+Na+CF3COOH"	136.98208
"1585829"	1266.22832	"C08641"	"Gentiodelphin"	"C51H53O28"	"1113.2723"	"M+K+CF3COOH"	152.95602
"809633"	1759.4832	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M"	0
"975510"	1740.46481	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-H2O-H"	-19.01839
"67034"	1171.981524	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M-3H"	-3.021828
"505501"	1758.475924	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M-3H"	-3.021828
"890959"	585.487124	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-3H"	-3.021828
"5159"	1758.475924	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M-2H"	-2.014552
"454077"	2638.217524	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M-2H"	-2.014552
"831029"	878.734324	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-2H"	-2.014552
"91262"	3517.959124	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M-H"	-1.007276
"529729"	5277.442324	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M-H"	-1.007276
"910693"	1758.475924	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-H"	-1.007276
"62037"	3534.985671	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M-2H+NH4"	16.019271
"501955"	5294.468871	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M-2H+NH4"	16.019271
"879598"	1775.502471	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-2H+NH4"	16.019271
"45713"	3539.941066	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M-2H+Na"	20.974666
"481264"	5299.424266	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M-2H+Na"	20.974666
"857972"	1780.457866	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-2H+Na"	20.974666
"1633100"	1780.457866	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Na-2H"	20.974666
"104038"	1776.464263	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M-H+Cl"	33.962126
"549595"	2656.205863	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M-H+Cl"	33.962126
"937112"	896.722663	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-H+Cl"	33.962126
"278948"	3553.935802	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+Cl"	34.969402
"668088"	5313.419002	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+Cl"	34.969402
"1280490"	1794.452602	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Cl"	34.969402
"23045"	3555.915006	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M-2H+K"	36.948606
"457384"	5315.398206	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M-2H+K"	36.948606
"834942"	1796.431806	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-2H+K"	36.948606
"1558427"	1796.431806	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+K-2H"	36.948606
"946674"	1804.481394	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-H+HCOOH"	44.998194
"364533"	3563.964601	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+HCOOH-H"	44.998201
"346830"	3577.980251	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+Hac-H"	59.013851
"1493850"	1818.497051	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Hac-H"	59.013851
"960415"	1826.463351	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-H+NaCOOH"	66.980151
"110199"	1794.452602	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+2Cl"	69.938804
"554358"	2674.194202	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+2Cl"	69.938804
"1032998"	914.711002	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2Cl"	69.938804
"1248202"	1838.402085	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Br"	78.918885
"1308462"	1840.458072	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Cl+HCOOH"	80.974872
"1322677"	1862.440029	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Cl+NaCOOH"	102.956829
"913370"	1872.468786	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M-H+CF3COOH"	112.985586
"1292633"	1908.445464	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Cl+CF3COOH"	148.962264
"1368606"	1724.470524	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H-2H2O"	-35.012676
"1386105"	1742.4805	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H-H2O"	-17.0027
"283008"	3519.973676	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+H"	1.007276
"680401"	5279.456876	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+H"	1.007276
"1357844"	1760.490476	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H"	1.007276
"132918"	1760.490476	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+2H"	2.014552
"569567"	2640.232076	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+2H"	2.014552
"1039825"	880.748876	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2H"	2.014552
"206999"	1173.996076	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+3H"	3.021828
"645829"	1760.490476	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+3H"	3.021828
"1163345"	587.501676	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+3H"	3.021828
"427954"	3537.000223	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+NH4"	18.033823
"788947"	5296.483423	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+NH4"	18.033823
"1683090"	1777.517023	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+NH4"	18.033823
"330761"	1769.0037495	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+H+NH4"	19.041099
"725246"	2648.7453495	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+H+NH4"	19.041099
"1478710"	889.2621495	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H+NH4"	19.041099
"398487"	3541.955618	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+Na"	22.989218
"757657"	5301.438818	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+Na"	22.989218
"1607582"	1782.472418	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Na"	22.989218
"321994"	1771.481447	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+H+Na"	23.996494
"718797"	2651.223047	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+H+Na"	23.996494
"1474078"	891.739847	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H+Na"	23.996494
"1062581"	594.82899	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2H+Na"	25.00377
"1268636"	1792.516686	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+CH3OH+H"	33.033486
"386113"	3557.929558	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+K"	38.963158
"750759"	5317.412758	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+K"	38.963158
"1555000"	1798.446358	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+K"	38.963158
"309626"	1779.468417	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+H+K"	39.970434
"693298"	2659.210017	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+H+K"	39.970434
"1449303"	899.726817	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H+K"	39.970434
"237903"	3561.000226	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+ACN+H"	42.033826
"1212069"	1801.517026	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+ACN+H"	42.033826
"1197409"	901.262151	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+ACN+2H"	43.041102
"191737"	3563.93756	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+2Na-H"	44.97116
"633125"	5323.42076	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+2Na-H"	44.97116
"1146245"	1804.45436	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2Na-H"	44.97116
"185758"	1782.472418	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+2Na"	45.978436
"627389"	2662.214018	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+2Na"	45.978436
"1126637"	902.730818	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2Na"	45.978436
"1406878"	602.156304	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H+2Na"	46.985712
"1436805"	1806.495946	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H+HCOOH"	47.012746
"229787"	1787.50544	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+3H2O+2H"	56.04448
"1514567"	1820.54799	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+IsoProp+H"	61.06479
"423493"	1790.459388	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+Na+K"	61.952376
"782906"	2670.200988	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+Na+K"	61.952376
"1672682"	910.717788	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Na+K"	61.952376
"257014"	3582.982168	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+ACN+Na"	64.015768
"1231178"	1823.498968	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+ACN+Na"	64.015768
"1717878"	1823.522493	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+NH4+HCOOH"	64.039293
"1185055"	609.483618	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+3Na"	68.967654
"1657139"	1828.477888	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Na+HCOOH"	68.994688
"162907"	3595.88544	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+2K-H"	76.91904
"600280"	5355.36864	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+2K-H"	76.91904
"1097921"	1836.40224	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2K-H"	76.91904
"153648"	1798.446358	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"2M+2K"	77.926316
"594303"	2678.187958	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"3M+2K"	77.926316
"1077722"	918.704758	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2K"	77.926316
"1113116"	1838.416792	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2K+H"	78.933592
"1348406"	1838.504407	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+DMSO+H"	79.021207
"1019124"	1842.543576	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2ACN+H"	83.060376
"1539199"	1843.537208	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+IsoProp+Na+H"	84.054008
"1002606"	921.775426	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+2ACN+2H"	84.067652
"1594921"	1844.451828	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+K+HCOOH"	84.968628
"1426049"	1874.483338	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+H+CF3COOH"	115.000138
"1156338"	942.288701	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+3ACN+2H"	125.094202
"1703703"	1891.509885	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+NH4+CF3COOH"	132.026685
"1644821"	1896.46528	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+Na+CF3COOH"	136.98208
"1585939"	1912.43922	"C08642"	"Heavenly blue anthocyanin;Peonidin 3-(2-(6-(3-(glucosyl)caffeoyl)glucosyl)-6-(4-(6-(3-(glucosyl)caffeoyl)glucosyl)caffeoyl)glucoside) 5-glucoside"	"C79H91O45"	"1759.4832"	"M+K+CF3COOH"	152.95602
"806462"	345.0974	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M"	0
"974764"	326.07901	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-H2O-H"	-19.01839
"63734"	229.057657333333	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M-3H"	-3.021828
"504518"	344.090124	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M-3H"	-3.021828
"891069"	114.025190666667	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-3H"	-3.021828
"5270"	344.090124	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M-2H"	-2.014552
"453214"	516.638824	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M-2H"	-2.014552
"827007"	171.541424	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-2H"	-2.014552
"93689"	689.187524	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M-H"	-1.007276
"529839"	1034.284924	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M-H"	-1.007276
"909590"	344.090124	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-H"	-1.007276
"62805"	706.214071	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M-2H+NH4"	16.019271
"502452"	1051.311471	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M-2H+NH4"	16.019271
"879633"	361.116671	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-2H+NH4"	16.019271
"46555"	711.169466	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M-2H+Na"	20.974666
"487023"	1056.266866	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M-2H+Na"	20.974666
"859177"	366.072066	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-2H+Na"	20.974666
"1633331"	366.072066	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Na-2H"	20.974666
"104148"	362.078463	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M-H+Cl"	33.962126
"546988"	534.627163	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M-H+Cl"	33.962126
"939409"	189.529763	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-H+Cl"	33.962126
"281123"	725.164202	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+Cl"	34.969402
"671478"	1070.261602	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+Cl"	34.969402
"1282787"	380.066802	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Cl"	34.969402
"20969"	727.143406	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M-2H+K"	36.948606
"457617"	1072.240806	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M-2H+K"	36.948606
"835054"	382.046006	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-2H+K"	36.948606
"1557088"	382.046006	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+K-2H"	36.948606
"947519"	390.095594	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-H+HCOOH"	44.998194
"364643"	735.193001	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+HCOOH-H"	44.998201
"347183"	749.208651	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+Hac-H"	59.013851
"1493717"	404.111251	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Hac-H"	59.013851
"961982"	412.077551	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-H+NaCOOH"	66.980151
"110646"	380.066802	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+2Cl"	69.938804
"563218"	552.615502	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+2Cl"	69.938804
"1030922"	207.518102	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2Cl"	69.938804
"1248313"	424.016285	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Br"	78.918885
"1308572"	426.072272	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Cl+HCOOH"	80.974872
"1321328"	448.054229	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Cl+NaCOOH"	102.956829
"912753"	458.082986	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M-H+CF3COOH"	112.985586
"1289580"	494.059664	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Cl+CF3COOH"	148.962264
"1369813"	310.084724	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H-2H2O"	-35.012676
"1386215"	328.0947	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H-H2O"	-17.0027
"283346"	691.202076	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+H"	1.007276
"680511"	1036.299476	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+H"	1.007276
"1357953"	346.104676	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H"	1.007276
"134121"	346.104676	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+2H"	2.014552
"570409"	518.653376	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+2H"	2.014552
"1038839"	173.555976	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2H"	2.014552
"208567"	231.072209333333	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+3H"	3.021828
"645207"	346.104676	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+3H"	3.021828
"1164427"	116.039742666667	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+3H"	3.021828
"424618"	708.228623	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+NH4"	18.033823
"789057"	1053.326023	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+NH4"	18.033823
"1682107"	363.131223	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+NH4"	18.033823
"330380"	354.6179495	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+H+NH4"	19.041099
"723530"	527.1666495	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+H+NH4"	19.041099
"1479182"	182.0692495	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H+NH4"	19.041099
"398597"	713.184018	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+Na"	22.989218
"757403"	1058.281418	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+Na"	22.989218
"1606599"	368.086618	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Na"	22.989218
"319918"	357.095647	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+H+Na"	23.996494
"722039"	529.644347	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+H+Na"	23.996494
"1473823"	184.546947	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H+Na"	23.996494
"1068129"	123.367056666667	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2H+Na"	25.00377
"1268381"	378.130886	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+CH3OH+H"	33.033486
"389510"	729.157958	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+K"	38.963158
"753057"	1074.255358	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+K"	38.963158
"1554747"	384.060558	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+K"	38.963158
"305362"	365.082617	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+H+K"	39.970434
"695594"	537.631317	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+H+K"	39.970434
"1452692"	192.533917	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H+K"	39.970434
"237285"	732.228626	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+ACN+H"	42.033826
"1215094"	387.131226	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+ACN+H"	42.033826
"1198978"	194.069251	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+ACN+2H"	43.041102
"189536"	735.16596	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+2Na-H"	44.97116
"632507"	1080.26336	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+2Na-H"	44.97116
"1146358"	390.06856	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2Na-H"	44.97116
"188101"	368.086618	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+2Na"	45.978436
"628108"	540.635318	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+2Na"	45.978436
"1130395"	195.537918	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2Na"	45.978436
"1409176"	130.694370666667	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H+2Na"	46.985712
"1438011"	392.110146	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H+HCOOH"	47.012746
"229897"	373.11964	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+3H2O+2H"	56.04448
"1515770"	406.16219	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+IsoProp+H"	61.06479
"422021"	376.073588	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+Na+K"	61.952376
"783018"	548.622288	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+Na+K"	61.952376
"1672792"	203.524888	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Na+K"	61.952376
"257124"	754.210568	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+ACN+Na"	64.015768
"1229105"	409.113168	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+ACN+Na"	64.015768
"1717625"	409.136693	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+NH4+HCOOH"	64.039293
"1185167"	138.021684666667	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+3Na"	68.967654
"1657249"	414.092088	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Na+HCOOH"	68.994688
"160831"	767.11384	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+2K-H"	76.91904
"603671"	1112.21124	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+2K-H"	76.91904
"1098030"	422.01644	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2K-H"	76.91904
"153759"	384.060558	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"2M+2K"	77.926316
"593320"	556.609258	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"3M+2K"	77.926316
"1083178"	211.511858	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2K"	77.926316
"1114198"	424.030992	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2K+H"	78.933592
"1348517"	424.118607	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+DMSO+H"	79.021207
"1017047"	428.157776	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2ACN+H"	83.060376
"1539063"	429.151408	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+IsoProp+Na+H"	84.054008
"1002716"	214.582526	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+2ACN+2H"	84.067652
"1595031"	430.066028	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+K+HCOOH"	84.968628
"1422878"	460.097538	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+H+CF3COOH"	115.000138
"1158634"	235.095801	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+3ACN+2H"	125.094202
"1703813"	477.124085	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+NH4+CF3COOH"	132.026685
"1644931"	482.07948	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+Na+CF3COOH"	136.98208
"1586049"	498.05342	"C08643"	"Hirsutidin"	"C18H17O7"	"345.0974"	"M+K+CF3COOH"	152.95602
"806572"	254.0579	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M"	0
"976822"	235.03951	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"65063"	168.364657333333	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"505356"	253.050624	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"887899"	83.6786906666667	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"8660"	253.050624	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"454417"	380.079574	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"829304"	126.021674	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"93762"	507.108524	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"528856"	761.166424	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"910956"	253.050624	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"62420"	524.135071	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"502813"	778.192971	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"879921"	270.077171	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"46793"	529.090466	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"486882"	783.148366	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"862568"	275.032566	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1631009"	275.032566	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"107538"	271.038963	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"548191"	398.067913	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"940611"	144.010013	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"278073"	543.085202	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"666120"	797.143102	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1276336"	289.027302	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"21080"	545.064406	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"457482"	799.122306	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"835159"	291.006506	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1558656"	291.006506	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"947629"	299.056094	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"362566"	553.114001	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"347902"	567.129651	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1494070"	313.071751	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"959662"	321.038051	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"110164"	289.027302	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"562234"	416.056252	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1031032"	161.998352	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1248423"	332.976785	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1308682"	335.032772	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1322168"	357.014729	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"916143"	367.043486	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1289815"	403.020164	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1368099"	219.045224	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1386324"	237.0552	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"284552"	509.123076	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"680621"	763.180976	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1356969"	255.065176	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"128399"	255.065176	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"570519"	382.094126	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1041137"	128.036226	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"208313"	170.379209333333	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"646045"	255.065176	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1164535"	85.6932426666667	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"426350"	526.149623	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"789531"	780.207523	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1683310"	272.091723	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"330493"	263.5784495	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"724372"	390.6073995	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1478193"	136.5494995	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"398696"	531.105018	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"755690"	785.162918	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1608896"	277.047118	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"320028"	266.056147	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"720479"	393.085097	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1473934"	139.027197	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1068160"	93.0205566666667	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1270679"	287.091386	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"390712"	547.078958	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"752804"	801.136858	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1555226"	293.021058	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"312032"	274.043117	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"701171"	401.072067	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1453894"	147.014167	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"239217"	550.149626	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1215205"	296.091726	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1197264"	148.549501	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"190861"	553.08696	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"634804"	807.14486	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1146709"	299.02906	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"188384"	277.047118	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"628307"	404.076068	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1131331"	150.018168	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1407100"	100.347870666667	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1438121"	301.070646	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"230007"	282.08014	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1516973"	315.12269	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"422131"	285.034088	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"785399"	412.063038	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1673996"	158.005138	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"258328"	572.131568	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1232131"	318.073668	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1716642"	318.097193	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1187464"	107.675184666667	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1657359"	323.052588	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"164221"	585.03484	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"603781"	839.09274	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1097046"	330.97694	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"153862"	293.021058	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"595864"	420.050008	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1083414"	165.992108	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1113336"	332.991492	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1348627"	333.079107	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1016064"	337.118276	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1538564"	338.111908	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1002825"	169.062776	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1595141"	339.026528	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1422988"	369.058038	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1157651"	189.576051	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1703923"	386.084585	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1645041"	391.03998	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1586159"	407.01392	"C08644"	"Hispidol"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"806682"	303.0505	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M"	0
"974747"	284.03211	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-H2O-H"	-19.01839
"62868"	201.026390666667	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M-3H"	-3.021828
"504738"	302.043224	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M-3H"	-3.021828
"893478"	100.009557333333	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-3H"	-3.021828
"13876"	302.043224	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M-2H"	-2.014552
"449425"	453.568474	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M-2H"	-2.014552
"831969"	150.517974	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-2H"	-2.014552
"92322"	605.093724	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M-H"	-1.007276
"534001"	908.144224	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M-H"	-1.007276
"910053"	302.043224	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-H"	-1.007276
"61634"	622.120271	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M-2H+NH4"	16.019271
"502765"	925.170771	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M-2H+NH4"	16.019271
"879773"	319.069771	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-2H+NH4"	16.019271
"46781"	627.075666	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M-2H+Na"	20.974666
"486746"	930.126166	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M-2H+Na"	20.974666
"861584"	324.025166	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-2H+Na"	20.974666
"1630391"	324.025166	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Na-2H"	20.974666
"107284"	320.031563	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M-H+Cl"	33.962126
"548303"	471.556813	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M-H+Cl"	33.962126
"937441"	168.506313	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-H+Cl"	33.962126
"278185"	641.070402	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+Cl"	34.969402
"668418"	944.120902	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+Cl"	34.969402
"1277540"	338.019902	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Cl"	34.969402
"21188"	643.049606	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M-2H+K"	36.948606
"457472"	946.100106	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M-2H+K"	36.948606
"834906"	339.999106	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-2H+K"	36.948606
"1559859"	339.999106	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+K-2H"	36.948606
"945553"	348.048694	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-H+HCOOH"	44.998194
"361947"	651.099201	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+HCOOH-H"	44.998201
"346192"	665.114851	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+Hac-H"	59.013851
"1493331"	362.064351	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Hac-H"	59.013851
"962939"	370.030651	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-H+NaCOOH"	66.980151
"110040"	338.019902	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+2Cl"	69.938804
"554688"	489.545152	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+2Cl"	69.938804
"1031142"	186.494652	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2Cl"	69.938804
"1248533"	381.969385	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Br"	78.918885
"1308792"	384.025372	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Cl+HCOOH"	80.974872
"1324101"	406.007329	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Cl+NaCOOH"	102.956829
"916253"	416.036086	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M-H+CF3COOH"	112.985586
"1289804"	452.012764	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Cl+CF3COOH"	148.962264
"1368206"	268.037824	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H-2H2O"	-35.012676
"1386434"	286.0478	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H-H2O"	-17.0027
"283002"	607.108276	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+H"	1.007276
"680731"	910.158776	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+H"	1.007276
"1355986"	304.057776	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H"	1.007276
"129238"	304.057776	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+2H"	2.014552
"570629"	455.583026	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+2H"	2.014552
"1038696"	152.532526	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2H"	2.014552
"208423"	203.040942666667	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+3H"	3.021828
"646522"	304.057776	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+3H"	3.021828
"1163672"	102.024109333333	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+3H"	3.021828
"425122"	624.134823	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+NH4"	18.033823
"786725"	927.185323	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+NH4"	18.033823
"1684513"	321.084323	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+NH4"	18.033823
"330481"	312.5710495	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+H+NH4"	19.041099
"726305"	464.0962995	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+H+NH4"	19.041099
"1477571"	161.0457995	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H+NH4"	19.041099
"402086"	629.090218	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+Na"	22.989218
"755792"	932.140718	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+Na"	22.989218
"1611196"	326.039718	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Na"	22.989218
"320138"	315.048747	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+H+Na"	23.996494
"720224"	466.573997	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+H+Na"	23.996494
"1474408"	163.523497	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H+Na"	23.996494
"1068148"	109.351423333333	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2H+Na"	25.00377
"1269332"	336.083986	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+CH3OH+H"	33.033486
"390458"	645.064158	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+K"	38.963158
"754097"	948.114658	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+K"	38.963158
"1555254"	342.013658	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+K"	38.963158
"312142"	323.035717	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+H+K"	39.970434
"700187"	474.560967	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+H+K"	39.970434
"1451818"	171.510467	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H+K"	39.970434
"240420"	648.134826	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+ACN+H"	42.033826
"1214221"	345.084326	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+ACN+H"	42.033826
"1194944"	173.045801	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+ACN+2H"	43.041102
"192068"	651.07216	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+2Na-H"	44.97116
"633821"	954.12266	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+2Na-H"	44.97116
"1143891"	348.02166	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2Na-H"	44.97116
"188477"	326.039718	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+2Na"	45.978436
"628210"	477.564968	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+2Na"	45.978436
"1131255"	174.514468	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2Na"	45.978436
"1413859"	116.678737333333	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H+2Na"	46.985712
"1436046"	350.063246	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H+HCOOH"	47.012746
"224648"	331.07274	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+3H2O+2H"	56.04448
"1515990"	364.11529	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+IsoProp+H"	61.06479
"420054"	334.026688	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+Na+K"	61.952376
"784330"	485.551938	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+Na+K"	61.952376
"1673012"	182.501438	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Na+K"	61.952376
"261719"	670.116768	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+ACN+Na"	64.015768
"1233334"	367.066268	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+ACN+Na"	64.015768
"1718939"	367.089793	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+NH4+HCOOH"	64.039293
"1187573"	124.006051333333	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+3Na"	68.967654
"1657471"	372.045188	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Na+HCOOH"	68.994688
"165425"	683.02004	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+2K-H"	76.91904
"608266"	986.07054	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+2K-H"	76.91904
"1092778"	379.96954	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2K-H"	76.91904
"148501"	342.013658	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"2M+2K"	77.926316
"596910"	493.538908	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"3M+2K"	77.926316
"1084094"	190.488408	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2K"	77.926316
"1113446"	381.984092	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2K+H"	78.933592
"1347643"	382.071707	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+DMSO+H"	79.021207
"1016174"	386.110876	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2ACN+H"	83.060376
"1538553"	387.104508	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+IsoProp+Na+H"	84.054008
"1004028"	193.559076	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+2ACN+2H"	84.067652
"1601812"	388.019128	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+K+HCOOH"	84.968628
"1423098"	418.050638	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+H+CF3COOH"	115.000138
"1159948"	214.072351	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+3ACN+2H"	125.094202
"1710593"	435.077185	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+NH4+CF3COOH"	132.026685
"1645151"	440.03258	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+Na+CF3COOH"	136.98208
"1586269"	456.00652	"C08646"	"6-Hydroxycyanidin"	"C15H11O7"	"303.0505"	"M+K+CF3COOH"	152.95602
"806792"	449.1084	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M"	0
"974857"	430.09001	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-H2O-H"	-19.01839
"63827"	298.398324	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M-3H"	-3.021828
"504119"	448.101124	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M-3H"	-3.021828
"890309"	148.695524	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-3H"	-3.021828
"13257"	448.101124	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M-2H"	-2.014552
"449535"	672.655324	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M-2H"	-2.014552
"830135"	223.546924	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-2H"	-2.014552
"91461"	897.209524	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M-H"	-1.007276
"533706"	1346.317924	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M-H"	-1.007276
"910166"	448.101124	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-H"	-1.007276
"61135"	914.236071	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M-2H+NH4"	16.019271
"502286"	1363.344471	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M-2H+NH4"	16.019271
"879647"	465.127671	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-2H+NH4"	16.019271
"46524"	919.191466	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M-2H+Na"	20.974666
"485841"	1368.299866	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M-2H+Na"	20.974666
"861694"	470.083066	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-2H+Na"	20.974666
"1626856"	470.083066	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Na-2H"	20.974666
"103385"	466.089463	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M-H+Cl"	33.962126
"540758"	690.643663	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M-H+Cl"	33.962126
"934272"	241.535263	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-H+Cl"	33.962126
"278294"	933.186202	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+Cl"	34.969402
"669621"	1382.294602	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+Cl"	34.969402
"1278744"	484.077802	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Cl"	34.969402
"19838"	935.165406	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M-2H+K"	36.948606
"457948"	1384.273806	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M-2H+K"	36.948606
"836477"	486.057006	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-2H+K"	36.948606
"1561063"	486.057006	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+K-2H"	36.948606
"946757"	494.106594	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-H+HCOOH"	44.998194
"363151"	943.215001	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+HCOOH-H"	44.998201
"349949"	957.230651	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+Hac-H"	59.013851
"1494048"	508.122251	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Hac-H"	59.013851
"963049"	516.088551	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-H+NaCOOH"	66.980151
"110496"	484.077802	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+2Cl"	69.938804
"555891"	708.632002	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+2Cl"	69.938804
"1027972"	259.523602	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2Cl"	69.938804
"1248643"	528.027285	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Br"	78.918885
"1307809"	530.083272	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Cl+HCOOH"	80.974872
"1326398"	552.065229	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Cl+NaCOOH"	102.956829
"915269"	562.093986	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M-H+CF3COOH"	112.985586
"1291002"	598.070664	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Cl+CF3COOH"	148.962264
"1370139"	414.095724	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H-2H2O"	-35.012676
"1389816"	432.1057	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H-H2O"	-17.0027
"284046"	899.224076	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+H"	1.007276
"681935"	1348.332476	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+H"	1.007276
"1358283"	450.115676	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H"	1.007276
"134451"	450.115676	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+2H"	2.014552
"572926"	674.669876	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+2H"	2.014552
"1040630"	225.561476	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2H"	2.014552
"208533"	300.412876	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+3H"	3.021828
"649185"	450.115676	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+3H"	3.021828
"1164390"	150.710076	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+3H"	3.021828
"426933"	916.250623	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+NH4"	18.033823
"792667"	1365.359023	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+NH4"	18.033823
"1686810"	467.142223	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+NH4"	18.033823
"332900"	458.6289495	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+H+NH4"	19.041099
"727509"	683.1831495	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+H+NH4"	19.041099
"1478777"	234.0747495	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H+NH4"	19.041099
"402196"	921.206018	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+Na"	22.989218
"757360"	1370.314418	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+Na"	22.989218
"1609119"	472.097618	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Na"	22.989218
"320248"	461.106647	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+H+Na"	23.996494
"720326"	685.660847	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+H+Na"	23.996494
"1471963"	236.552447	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H+Na"	23.996494
"1063389"	158.03739	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2H+Na"	25.00377
"1270171"	482.141886	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+CH3OH+H"	33.033486
"388743"	937.179958	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+K"	38.963158
"753271"	1386.288358	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+K"	38.963158
"1554958"	488.071558	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+K"	38.963158
"312254"	469.093617	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+H+K"	39.970434
"701391"	693.647817	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+H+K"	39.970434
"1454115"	244.539417	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H+K"	39.970434
"243810"	940.250626	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+ACN+H"	42.033826
"1217612"	491.142226	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+ACN+H"	42.033826
"1200401"	246.074751	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+ACN+2H"	43.041102
"199833"	943.18796	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+2Na-H"	44.97116
"632838"	1392.29636	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+2Na-H"	44.97116
"1146194"	494.07956	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2Na-H"	44.97116
"187303"	472.097618	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+2Na"	45.978436
"627590"	696.651818	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+2Na"	45.978436
"1129999"	247.543418	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2Na"	45.978436
"1412793"	165.364704	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H+2Na"	46.985712
"1436156"	496.121146	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H+HCOOH"	47.012746
"224029"	477.13064	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+3H2O+2H"	56.04448
"1513914"	510.17319	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+IsoProp+H"	61.06479
"419072"	480.084588	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+Na+K"	61.952376
"783348"	704.638788	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+Na+K"	61.952376
"1673122"	255.530388	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Na+K"	61.952376
"260736"	962.232568	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+ACN+Na"	64.015768
"1232352"	513.124168	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+ACN+Na"	64.015768
"1720143"	513.147693	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+NH4+HCOOH"	64.039293
"1188412"	172.692018	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+3Na"	68.967654
"1657217"	518.103088	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Na+HCOOH"	68.994688
"165171"	975.13584	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+2K-H"	76.91904
"607283"	1424.24424	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+2K-H"	76.91904
"1089608"	526.02744	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2K-H"	76.91904
"148611"	488.071558	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"2M+2K"	77.926316
"597059"	712.625758	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"3M+2K"	77.926316
"1082287"	263.517358	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2K"	77.926316
"1114407"	528.041992	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2K+H"	78.933592
"1344474"	528.129607	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+DMSO+H"	79.021207
"1014098"	532.168776	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2ACN+H"	83.060376
"1536597"	533.162408	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+IsoProp+Na+H"	84.054008
"1000859"	266.588026	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+2ACN+2H"	84.067652
"1601922"	534.077028	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+K+HCOOH"	84.968628
"1428676"	564.108538	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+H+CF3COOH"	115.000138
"1160058"	287.101301	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+3ACN+2H"	125.094202
"1712556"	581.135085	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+NH4+CF3COOH"	132.026685
"1645261"	586.09048	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+Na+CF3COOH"	136.98208
"1586379"	602.06442	"C08647"	"Cyanidin 3-O-galactoside;Cyanidin 3-O-beta-D-galactoside"	"C21H21O11"	"449.1084"	"M+K+CF3COOH"	152.95602
"806902"	324.1362	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M"	0
"975088"	305.11781	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-H2O-H"	-19.01839
"64785"	215.083524	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M-3H"	-3.021828
"507145"	323.128924	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M-3H"	-3.021828
"890419"	107.038124	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-3H"	-3.021828
"11910"	323.128924	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M-2H"	-2.014552
"449645"	485.197024	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M-2H"	-2.014552
"831217"	161.060824	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-2H"	-2.014552
"93152"	647.265124	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M-H"	-1.007276
"533449"	971.401324	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M-H"	-1.007276
"908695"	323.128924	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-H"	-1.007276
"61002"	664.291671	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M-2H+NH4"	16.019271
"502800"	988.427871	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M-2H+NH4"	16.019271
"879701"	340.155471	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-2H+NH4"	16.019271
"45542"	669.247066	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M-2H+Na"	20.974666
"485101"	993.383266	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M-2H+Na"	20.974666
"861440"	345.110866	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-2H+Na"	20.974666
"1629882"	345.110866	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Na-2H"	20.974666
"105682"	341.117263	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M-H+Cl"	33.962126
"540868"	503.185363	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M-H+Cl"	33.962126
"936568"	179.049163	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-H+Cl"	33.962126
"277311"	683.241802	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+Cl"	34.969402
"667545"	1007.378002	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+Cl"	34.969402
"1277761"	359.105602	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Cl"	34.969402
"21041"	685.221006	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M-2H+K"	36.948606
"457691"	1009.357206	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M-2H+K"	36.948606
"834400"	361.084806	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-2H+K"	36.948606
"1555824"	361.084806	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+K-2H"	36.948606
"944310"	369.134394	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-H+HCOOH"	44.998194
"363990"	693.270601	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+HCOOH-H"	44.998201
"346088"	707.286251	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+Hac-H"	59.013851
"1493794"	383.150051	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Hac-H"	59.013851
"963159"	391.116351	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-H+NaCOOH"	66.980151
"110282"	359.105602	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+2Cl"	69.938804
"552721"	521.173702	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+2Cl"	69.938804
"1028082"	197.037502	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2Cl"	69.938804
"1248753"	403.055085	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Br"	78.918885
"1307190"	405.111072	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Cl+HCOOH"	80.974872
"1322133"	427.093029	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Cl+NaCOOH"	102.956829
"916472"	437.121786	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M-H+CF3COOH"	112.985586
"1293543"	473.098464	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Cl+CF3COOH"	148.962264
"1370976"	289.123524	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H-2H2O"	-35.012676
"1385919"	307.1335	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H-H2O"	-17.0027
"284520"	649.279676	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+H"	1.007276
"679857"	973.415876	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+H"	1.007276
"1355476"	325.143476	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H"	1.007276
"133468"	325.143476	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+2H"	2.014552
"567922"	487.211576	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+2H"	2.014552
"1040374"	163.075376	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2H"	2.014552
"206455"	217.098076	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+3H"	3.021828
"646377"	325.143476	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+3H"	3.021828
"1163526"	109.052676	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+3H"	3.021828
"425703"	666.306223	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+NH4"	18.033823
"786699"	990.442423	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+NH4"	18.033823
"1686920"	342.170023	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+NH4"	18.033823
"331917"	333.6567495	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+H+NH4"	19.041099
"728712"	495.7248495	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+H+NH4"	19.041099
"1478887"	171.5886495	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H+NH4"	19.041099
"399026"	671.261618	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+Na"	22.989218
"756740"	995.397818	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+Na"	22.989218
"1608136"	347.125418	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Na"	22.989218
"316226"	336.134447	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+H+Na"	23.996494
"720072"	498.202547	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+H+Na"	23.996494
"1473897"	174.066347	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H+Na"	23.996494
"1065320"	116.37999	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2H+Na"	25.00377
"1271010"	357.169686	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+CH3OH+H"	33.033486
"389946"	687.235558	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+K"	38.963158
"753264"	1011.371758	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+K"	38.963158
"1555195"	363.099358	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+K"	38.963158
"312242"	344.121417	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+H+K"	39.970434
"703325"	506.189517	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+H+K"	39.970434
"1455318"	182.053317	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H+K"	39.970434
"243920"	690.306226	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+ACN+H"	42.033826
"1217722"	366.170026	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+ACN+H"	42.033826
"1200511"	183.588651	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+ACN+2H"	43.041102
"196663"	693.24356	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+2Na-H"	44.97116
"632948"	1017.37976	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+2Na-H"	44.97116
"1145697"	369.10736	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2Na-H"	44.97116
"187047"	347.125418	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+2Na"	45.978436
"627095"	509.193518	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+2Na"	45.978436
"1130111"	185.057318	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2Na"	45.978436
"1412174"	123.707304	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H+2Na"	46.985712
"1439545"	371.148946	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H+HCOOH"	47.012746
"224868"	352.15844	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+3H2O+2H"	56.04448
"1514024"	385.20099	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+IsoProp+H"	61.06479
"418818"	355.112388	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+Na+K"	61.952376
"782731"	517.180488	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+Na+K"	61.952376
"1675420"	193.044288	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Na+K"	61.952376
"262670"	712.288168	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+ACN+Na"	64.015768
"1235014"	388.151968	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+ACN+Na"	64.015768
"1719525"	388.175493	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+NH4+HCOOH"	64.039293
"1187064"	131.034618	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+3Na"	68.967654
"1657691"	393.130888	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Na+HCOOH"	68.994688
"165281"	725.19144	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+2K-H"	76.91904
"601925"	1049.32764	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+2K-H"	76.91904
"1091905"	401.05524	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2K-H"	76.91904
"143253"	363.099358	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"2M+2K"	77.926316
"596556"	525.167458	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"3M+2K"	77.926316
"1082276"	201.031258	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2K"	77.926316
"1115576"	403.069792	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2K+H"	78.933592
"1347865"	403.157407	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+DMSO+H"	79.021207
"1020855"	407.196576	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2ACN+H"	83.060376
"1538290"	408.190208	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+IsoProp+Na+H"	84.054008
"1000971"	204.101926	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+2ACN+2H"	84.067652
"1602683"	409.104828	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+K+HCOOH"	84.968628
"1428786"	439.136338	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+H+CF3COOH"	115.000138
"1160169"	224.615201	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+3ACN+2H"	125.094202
"1712679"	456.162885	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+NH4+CF3COOH"	132.026685
"1645371"	461.11828	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+Na+CF3COOH"	136.98208
"1586489"	477.09222	"C08648"	"Isobavachalcone"	"C20H20O4"	"324.1362"	"M+K+CF3COOH"	152.95602
"807012"	596.1741	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M"	0
"980544"	577.15571	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-H2O-H"	-19.01839
"65140"	396.442124	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M-3H"	-3.021828
"507253"	595.166824	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M-3H"	-3.021828
"882503"	197.717424	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-3H"	-3.021828
"5818"	595.166824	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M-2H"	-2.014552
"446472"	893.253874	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M-2H"	-2.014552
"832629"	297.079774	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-2H"	-2.014552
"93747"	1191.340924	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M-H"	-1.007276
"533812"	1787.515024	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M-H"	-1.007276
"911070"	595.166824	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-H"	-1.007276
"62209"	1208.367471	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M-2H+NH4"	16.019271
"502021"	1804.541571	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M-2H+NH4"	16.019271
"879217"	612.193371	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-2H+NH4"	16.019271
"46422"	1213.322866	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M-2H+Na"	20.974666
"486554"	1809.496966	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M-2H+Na"	20.974666
"863010"	617.148766	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-2H+Na"	20.974666
"1631086"	617.148766	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Na-2H"	20.974666
"105428"	613.155163	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M-H+Cl"	33.962126
"544258"	911.242213	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M-H+Cl"	33.962126
"940689"	315.068113	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-H+Cl"	33.962126
"280338"	1227.317602	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+Cl"	34.969402
"672759"	1823.491702	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+Cl"	34.969402
"1281151"	631.143502	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Cl"	34.969402
"20425"	1229.296806	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M-2H+K"	36.948606
"458898"	1825.470906	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M-2H+K"	36.948606
"839979"	633.122706	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-2H+K"	36.948606
"1557633"	633.122706	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+K-2H"	36.948606
"943693"	641.172294	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-H+HCOOH"	44.998194
"364099"	1237.346401	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+HCOOH-H"	44.998201
"346886"	1251.362051	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+Hac-H"	59.013851
"1499008"	655.187951	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Hac-H"	59.013851
"963269"	663.154251	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-H+NaCOOH"	66.980151
"117644"	631.143502	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+2Cl"	69.938804
"553195"	929.230552	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+2Cl"	69.938804
"1031471"	333.056452	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2Cl"	69.938804
"1245582"	675.092985	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Br"	78.918885
"1305842"	677.148972	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Cl+HCOOH"	80.974872
"1322245"	699.130929	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Cl+NaCOOH"	102.956829
"914396"	709.159686	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M-H+CF3COOH"	112.985586
"1290739"	745.136364	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Cl+CF3COOH"	148.962264
"1373639"	561.161424	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H-2H2O"	-35.012676
"1391133"	579.1714	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H-H2O"	-17.0027
"283902"	1193.355476	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+H"	1.007276
"677048"	1789.529576	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+H"	1.007276
"1354492"	597.181376	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H"	1.007276
"131755"	597.181376	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+2H"	2.014552
"568402"	895.268426	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+2H"	2.014552
"1042673"	299.094326	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2H"	2.014552
"205470"	398.456676	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+3H"	3.021828
"647581"	597.181376	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+3H"	3.021828
"1164611"	199.731976	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+3H"	3.021828
"425328"	1210.382023	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+NH4"	18.033823
"786080"	1806.556123	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+NH4"	18.033823
"1683384"	614.207923	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+NH4"	18.033823
"331661"	605.6946495	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+H+NH4"	19.041099
"723110"	903.7816995	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+H+NH4"	19.041099
"1478389"	307.6075995	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H+NH4"	19.041099
"397313"	1215.337418	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+Na"	22.989218
"755027"	1811.511518	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+Na"	22.989218
"1615900"	619.163318	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Na"	22.989218
"317188"	608.172347	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+H+Na"	23.996494
"720186"	906.259397	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+H+Na"	23.996494
"1475099"	310.085297	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H+Na"	23.996494
"1066887"	207.05929	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2H+Na"	25.00377
"1272422"	629.207586	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+CH3OH+H"	33.033486
"392616"	1231.311358	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+K"	38.963158
"753780"	1827.485458	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+K"	38.963158
"1554698"	635.137258	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+K"	38.963158
"313777"	616.159317	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+H+K"	39.970434
"698332"	914.246367	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+H+K"	39.970434
"1455432"	318.072267	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H+K"	39.970434
"238929"	1234.382026	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+ACN+H"	42.033826
"1212365"	638.207926	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+ACN+H"	42.033826
"1198435"	319.607601	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+ACN+2H"	43.041102
"195681"	1237.31936	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+2Na-H"	44.97116
"630133"	1833.49346	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+2Na-H"	44.97116
"1145564"	641.14526	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2Na-H"	44.97116
"186068"	619.163318	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+2Na"	45.978436
"626965"	917.250368	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+2Na"	45.978436
"1128397"	321.076268	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2Na"	45.978436
"1409727"	214.386604	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H+2Na"	46.985712
"1437469"	643.186846	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H+HCOOH"	47.012746
"226071"	624.19634	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+3H2O+2H"	56.04448
"1516321"	657.23889	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+IsoProp+H"	61.06479
"420387"	627.150288	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+Na+K"	61.952376
"782113"	925.237338	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+Na+K"	61.952376
"1678812"	329.063238	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Na+K"	61.952376
"264968"	1256.363968	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+ACN+Na"	64.015768
"1236582"	660.189868	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+ACN+Na"	64.015768
"1725104"	660.213393	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+NH4+HCOOH"	64.039293
"1193575"	221.713918	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+3Na"	68.967654
"1655614"	665.168788	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Na+HCOOH"	68.994688
"163568"	1269.26724	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+2K-H"	76.91904
"602034"	1865.44134	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+2K-H"	76.91904
"1090919"	673.09314	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2K-H"	76.91904
"147733"	635.137258	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"2M+2K"	77.926316
"588393"	933.224308	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"3M+2K"	77.926316
"1069988"	337.050208	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2K"	77.926316
"1115403"	675.107692	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2K+H"	78.933592
"1349069"	675.195307	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+DMSO+H"	79.021207
"1020648"	679.234476	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2ACN+H"	83.060376
"1539130"	680.228108	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+IsoProp+Na+H"	84.054008
"1001081"	340.120876	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+2ACN+2H"	84.067652
"1602389"	681.142728	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+K+HCOOH"	84.968628
"1429629"	711.174238	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+H+CF3COOH"	115.000138
"1162103"	360.634151	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+3ACN+2H"	125.094202
"1712548"	728.200785	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+NH4+CF3COOH"	132.026685
"1645481"	733.15618	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+Na+CF3COOH"	136.98208
"1586599"	749.13012	"C08649"	"Isobutrin"	"C27H32O15"	"596.1741"	"M+K+CF3COOH"	152.95602
"807122"	256.0736	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M"	0
"974821"	237.05521	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"63549"	169.708457333333	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"502900"	255.066324	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"880912"	84.3505906666667	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"3010"	255.066324	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"443299"	383.103124	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"820007"	127.029524	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"89844"	511.139924	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"534200"	767.213524	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"908303"	255.066324	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"62436"	528.166471	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"502787"	784.240071	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"879648"	272.092871	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"46812"	533.121866	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"487075"	789.195466	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"862027"	277.048266	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1630103"	277.048266	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"103716"	273.054663	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"542182"	401.091463	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"938977"	145.017863	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"280812"	547.116602	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"671046"	803.190202	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1280168"	291.043002	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"20534"	549.095806	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"459008"	805.169406	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"837902"	293.022206	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1558105"	293.022206	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"943236"	301.071794	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"363116"	557.145401	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"346996"	571.161051	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1500211"	315.087451	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"963379"	323.053751	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"118847"	291.043002	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"552941"	419.079802	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1031581"	163.006202	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1245692"	334.992485	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1307045"	337.048472	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1321260"	359.030429	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"913412"	369.059186	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1291213"	405.035864	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1371562"	221.060924	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1391243"	239.0709	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"284740"	513.154476	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"678982"	769.228076	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1354238"	257.080876	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"134781"	257.080876	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"566444"	385.117676	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1040227"	129.044076	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"205215"	171.723009333333	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"646231"	257.080876	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1165450"	86.3651426666667	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"425802"	530.181023	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"786433"	786.254623	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1682764"	274.107423	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"332136"	265.5941495	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"724194"	393.6309495	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1477647"	137.5573495	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"396329"	535.136418	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"754771"	791.210018	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1614916"	279.062818	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"320577"	268.071847	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"721388"	396.108647	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1473750"	140.035047	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1067361"	93.6924566666667	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1272612"	289.107086	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"392687"	551.110358	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"753359"	807.183958	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1555375"	295.036758	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"314090"	276.058817	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"698442"	404.095617	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1455542"	148.022017	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"239768"	554.181026	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1212475"	298.107426	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1198544"	149.557351	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"193604"	557.11836	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"631336"	813.19196	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1145308"	301.04476	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"185432"	279.062818	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"616244"	407.099618	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1128139"	151.026018	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1410930"	101.019770666667	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1436485"	303.086346	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"225449"	284.09584	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1514244"	317.13839	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"421223"	287.049788	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"782219"	415.086588	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1672359"	159.012988	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"263981"	576.162968	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1237421"	320.089368	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1721567"	320.112893	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1190200"	108.347084666667	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1654631"	325.068288	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"164772"	589.06624	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"601051"	845.13984	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1088843"	332.99264	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"147843"	295.036758	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"587410"	423.073558	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1069977"	166.999958	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1115431"	335.007192	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1350272"	335.094807	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1021002"	339.133976	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1539361"	340.127608	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"1001191"	170.070626	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1602639"	341.042228	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1429725"	371.073738	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1162577"	190.583901	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1712254"	388.100285	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1645591"	393.05568	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1586709"	409.02962	"C08650"	"Isoliquiritigenin"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"812701"	300.0634	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M"	0
"975298"	281.04501	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"65728"	199.034990666667	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"505287"	299.056124	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"885277"	99.0138573333333	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"3850"	299.056124	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"446690"	449.087824	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"823401"	149.024424	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"85579"	599.119524	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"530609"	899.182924	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"909506"	299.056124	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"60727"	616.146071	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"502803"	916.209471	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"879821"	316.082671	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"45748"	621.101466	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"485553"	921.164866	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"861408"	321.038066	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1634100"	321.038066	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"108809"	317.044463	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"546667"	467.076163	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"940181"	167.012763	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"274363"	635.096202	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"667876"	935.159602	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1280278"	335.032802	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"21744"	637.075406	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"457659"	937.138806	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"835096"	337.012006	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1555600"	337.012006	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"942893"	345.061594	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"365417"	645.125001	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"346055"	659.140651	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1501414"	359.077251	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"964582"	367.043551	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"118957"	335.032802	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"553051"	485.064502	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1031691"	185.001102	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1246895"	378.982285	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1307155"	381.038272	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1321006"	403.020229	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"912793"	413.048986	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1290595"	449.025664	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1371672"	265.050724	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1393539"	283.0607	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"293225"	601.134076	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"676175"	901.197476	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1351917"	301.070676	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"131611"	301.070676	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"565945"	451.102376	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1040703"	151.038976	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"207149"	201.049542666667	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"646341"	301.070676	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1165925"	101.028409333333	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"425912"	618.160623	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"787272"	918.224023	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1682266"	318.097223	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"332247"	309.5839495	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"723816"	459.6156495	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1477756"	159.5522495	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"395345"	623.116018	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"755610"	923.179418	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1607368"	323.052618	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"315579"	312.061647	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"709089"	462.093347	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1466928"	162.029947	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1056893"	108.355723333333	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1258570"	333.096886	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"379332"	639.089958	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"741424"	939.153358	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1546761"	339.026558	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"313304"	320.048617	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"699645"	470.080317	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1452372"	170.016917	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"237692"	642.160626	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1211856"	342.097226	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1198655"	171.552251	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"193712"	645.09796	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"630716"	945.16136	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1145053"	345.03456	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"183356"	323.052618	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"616352"	473.084318	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1128251"	173.020918	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1407761"	115.683037333333	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1434409"	347.076146	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"228481"	328.08564	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1514356"	361.12819	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"421704"	331.039588	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"780508"	481.071288	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1675749"	181.007888	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"263730"	664.142568	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1238259"	364.079168	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1722770"	364.102693	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1193226"	123.010351333333	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1654741"	369.058088	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"163789"	677.04584	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"604441"	977.10924	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1091140"	376.98244	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"149047"	339.026558	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"587520"	489.058258	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1070938"	188.994858	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1114367"	378.996992	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1348195"	379.084607	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1020867"	383.123776	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1538985"	384.117408	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"1003488"	192.065526	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1602609"	385.032028	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1429728"	415.063538	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1160503"	212.578801	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1707862"	432.090085	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1645700"	437.04548	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1586819"	453.01942	"C08651"	"Leptosidin"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"807342"	271.0606	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M"	0
"974635"	252.04221	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-H2O-H"	-19.01839
"64745"	179.699790666667	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M-3H"	-3.021828
"504303"	270.053324	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M-3H"	-3.021828
"883201"	89.3462573333333	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-3H"	-3.021828
"2867"	270.053324	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M-2H"	-2.014552
"445707"	405.583624	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M-2H"	-2.014552
"824605"	134.523024	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-2H"	-2.014552
"84596"	541.113924	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M-H"	-1.007276
"531813"	812.174524	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M-H"	-1.007276
"910103"	270.053324	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-H"	-1.007276
"61687"	558.140471	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M-2H+NH4"	16.019271
"502596"	829.201071	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M-2H+NH4"	16.019271
"879052"	287.079871	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-2H+NH4"	16.019271
"46670"	563.095866	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M-2H+Na"	20.974666
"485907"	834.156466	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M-2H+Na"	20.974666
"862005"	292.035266	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-2H+Na"	20.974666
"1633486"	292.035266	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Na-2H"	20.974666
"107705"	288.041663	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M-H+Cl"	33.962126
"544591"	423.571963	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M-H+Cl"	33.962126
"940291"	152.511363	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-H+Cl"	33.962126
"274473"	577.090602	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+Cl"	34.969402
"667986"	848.151202	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+Cl"	34.969402
"1280388"	306.030002	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Cl"	34.969402
"25134"	579.069806	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M-2H+K"	36.948606
"457041"	850.130406	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M-2H+K"	36.948606
"834842"	308.009206	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-2H+K"	36.948606
"1555775"	308.009206	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+K-2H"	36.948606
"943535"	316.058794	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-H+HCOOH"	44.998194
"364433"	587.119401	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+HCOOH-H"	44.998201
"347222"	601.135051	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+Hac-H"	59.013851
"1503711"	330.074451	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Hac-H"	59.013851
"962869"	338.040751	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-H+NaCOOH"	66.980151
"119067"	306.030002	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+2Cl"	69.938804
"553525"	441.560302	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+2Cl"	69.938804
"1031801"	170.499702	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2Cl"	69.938804
"1245912"	349.979485	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Br"	78.918885
"1306173"	352.035472	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Cl+HCOOH"	80.974872
"1322209"	374.017429	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Cl+NaCOOH"	102.956829
"913994"	384.046186	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M-H+CF3COOH"	112.985586
"1291434"	420.022864	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Cl+CF3COOH"	148.962264
"1377249"	236.047924	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H-2H2O"	-35.012676
"1390370"	254.0579	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H-H2O"	-17.0027
"292242"	543.128476	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+H"	1.007276
"675921"	814.189076	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+H"	1.007276
"1352996"	272.067876	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H"	1.007276
"128439"	272.067876	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+2H"	2.014552
"566907"	407.598176	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+2H"	2.014552
"1040812"	136.537576	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2H"	2.014552
"207623"	181.714342666667	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+3H"	3.021828
"648639"	272.067876	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+3H"	3.021828
"1165670"	91.3608093333333	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+3H"	3.021828
"427116"	560.155023	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+NH4"	18.033823
"788477"	831.215623	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+NH4"	18.033823
"1683349"	289.094423	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+NH4"	18.033823
"333086"	280.5811495	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+H+NH4"	19.041099
"726966"	416.1114495	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+H+NH4"	19.041099
"1479693"	145.0508495	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H+NH4"	19.041099
"403840"	565.110418	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+Na"	22.989218
"758640"	836.171018	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+Na"	22.989218
"1607478"	294.049818	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Na"	22.989218
"316782"	283.058847	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+H+Na"	23.996494
"709320"	418.589147	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+H+Na"	23.996494
"1462906"	147.528547	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H+Na"	23.996494
"1057003"	98.6881233333333	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2H+Na"	25.00377
"1259773"	304.094086	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+CH3OH+H"	33.033486
"379441"	581.084358	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+K"	38.963158
"740803"	852.144958	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+K"	38.963158
"1550151"	310.023758	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+K"	38.963158
"309512"	291.045817	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+H+K"	39.970434
"697560"	426.576117	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+H+K"	39.970434
"1454662"	155.515517	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H+K"	39.970434
"236708"	584.155026	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+ACN+H"	42.033826
"1211236"	313.094426	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+ACN+H"	42.033826
"1198033"	157.050851	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+ACN+2H"	43.041102
"191636"	587.09236	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+2Na-H"	44.97116
"631191"	858.15296	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+2Na-H"	44.97116
"1144798"	316.03176	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2Na-H"	44.97116
"181280"	294.049818	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+2Na"	45.978436
"615733"	429.580118	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+2Na"	45.978436
"1127629"	158.519518	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2Na"	45.978436
"1404589"	106.015437333333	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H+2Na"	46.985712
"1437797"	318.073346	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H+HCOOH"	47.012746
"228591"	299.08284	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+3H2O+2H"	56.04448
"1516653"	332.12539	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+IsoProp+H"	61.06479
"419620"	302.036788	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+Na+K"	61.952376
"780615"	437.567088	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+Na+K"	61.952376
"1672579"	166.506488	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Na+K"	61.952376
"260191"	606.136968	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+ACN+Na"	64.015768
"1236912"	335.076368	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+ACN+Na"	64.015768
"1721787"	335.099893	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+NH4+HCOOH"	64.039293
"1184952"	113.342751333333	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+3Na"	68.967654
"1655945"	340.055288	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Na+HCOOH"	68.994688
"166086"	619.04024	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+2K-H"	76.91904
"606738"	890.10084	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+2K-H"	76.91904
"1094530"	347.97964	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2K-H"	76.91904
"145878"	310.023758	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"2M+2K"	77.926316
"585444"	445.554058	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"3M+2K"	77.926316
"1071046"	174.493458	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2K"	77.926316
"1115449"	349.994192	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2K+H"	78.933592
"1351147"	350.081807	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+DMSO+H"	79.021207
"1021094"	354.120976	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2ACN+H"	83.060376
"1539745"	355.114608	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+IsoProp+Na+H"	84.054008
"1004693"	177.564126	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+2ACN+2H"	84.067652
"1602436"	356.029228	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+K+HCOOH"	84.968628
"1429837"	386.060738	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+H+CF3COOH"	115.000138
"1161342"	198.077401	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+3ACN+2H"	125.094202
"1707972"	403.087285	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+NH4+CF3COOH"	132.026685
"1645810"	408.04268	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+Na+CF3COOH"	136.98208
"1586929"	424.01662	"C08652"	"Luteolinidin"	"C15H11O5"	"271.0606"	"M+K+CF3COOH"	152.95602
"807452"	859.1933	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M"	0
"975518"	840.17491	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-H2O-H"	-19.01839
"67042"	571.788257333333	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M-3H"	-3.021828
"505506"	858.186024	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M-3H"	-3.021828
"883311"	285.390490666667	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-3H"	-3.021828
"4070"	858.186024	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M-2H"	-2.014552
"448004"	1287.782674	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M-2H"	-2.014552
"823619"	428.589374	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-2H"	-2.014552
"85799"	1717.379324	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M-H"	-1.007276
"533017"	2576.572624	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M-H"	-1.007276
"910213"	858.186024	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-H"	-1.007276
"62164"	1734.405871	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M-2H+NH4"	16.019271
"501472"	2593.599171	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M-2H+NH4"	16.019271
"878917"	875.212571	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-2H+NH4"	16.019271
"45976"	1739.361266	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M-2H+Na"	20.974666
"486253"	2598.554566	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M-2H+Na"	20.974666
"862356"	880.167966	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-2H+Na"	20.974666
"1627520"	880.167966	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Na-2H"	20.974666
"105142"	876.174363	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M-H+Cl"	33.962126
"543608"	1305.771013	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M-H+Cl"	33.962126
"939307"	446.577713	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-H+Cl"	33.962126
"274583"	1753.356002	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+Cl"	34.969402
"664815"	2612.549302	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+Cl"	34.969402
"1277217"	894.162702	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Cl"	34.969402
"18684"	1755.335206	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M-2H+K"	36.948606
"456542"	2614.528506	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M-2H+K"	36.948606
"834952"	896.141906	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-2H+K"	36.948606
"1555923"	896.141906	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+K-2H"	36.948606
"943399"	904.191494	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-H+HCOOH"	44.998194
"363814"	1763.384801	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+HCOOH-H"	44.998201
"347696"	1777.400451	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+Hac-H"	59.013851
"1498354"	918.207151	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Hac-H"	59.013851
"961522"	926.173451	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-H+NaCOOH"	66.980151
"119177"	894.162702	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+2Cl"	69.938804
"554364"	1323.759352	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+2Cl"	69.938804
"1031911"	464.566052	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2Cl"	69.938804
"1252583"	938.112185	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Br"	78.918885
"1312844"	940.168172	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Cl+HCOOH"	80.974872
"1320132"	962.150129	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Cl+NaCOOH"	102.956829
"911919"	972.178886	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M-H+CF3COOH"	112.985586
"1288991"	1008.155564	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Cl+CF3COOH"	148.962264
"1369705"	824.180624	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H-2H2O"	-35.012676
"1388294"	842.1906	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H-H2O"	-17.0027
"292352"	1719.393876	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+H"	1.007276
"676515"	2578.587176	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+H"	1.007276
"1352013"	860.200576	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H"	1.007276
"127089"	860.200576	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+2H"	2.014552
"565921"	1289.797226	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+2H"	2.014552
"1039830"	430.603926	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2H"	2.014552
"208098"	573.802809333333	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+3H"	3.021828
"645833"	860.200576	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+3H"	3.021828
"1163957"	287.405042666667	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+3H"	3.021828
"424677"	1736.420423	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+NH4"	18.033823
"790411"	2595.613723	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+NH4"	18.033823
"1682731"	877.227123	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+NH4"	18.033823
"333561"	868.7138495	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+H+NH4"	19.041099
"729264"	1298.3104995	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+H+NH4"	19.041099
"1483084"	439.1171995	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H+NH4"	19.041099
"400669"	1741.375818	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+Na"	22.989218
"756563"	2600.569118	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+Na"	22.989218
"1608681"	882.182518	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Na"	22.989218
"316893"	871.191547	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+H+Na"	23.996494
"710768"	1300.788197	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+H+Na"	23.996494
"1462045"	441.594897	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H+Na"	23.996494
"1057113"	294.732356666667	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2H+Na"	25.00377
"1260976"	892.226786	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+CH3OH+H"	33.033486
"379552"	1757.349758	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+K"	38.963158
"741643"	2616.543058	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+K"	38.963158
"1550261"	898.156458	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+K"	38.963158
"312174"	879.178517	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+H+K"	39.970434
"701680"	1308.775167	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+H+K"	39.970434
"1454772"	449.581867	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H+K"	39.970434
"237911"	1760.420426	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+ACN+H"	42.033826
"1213167"	901.227126	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+ACN+H"	42.033826
"1199236"	451.117201	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+ACN+2H"	43.041102
"196119"	1763.35776	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+2Na-H"	44.97116
"632396"	2622.55106	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+2Na-H"	44.97116
"1145879"	904.16446	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2Na-H"	44.97116
"182483"	882.182518	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+2Na"	45.978436
"615843"	1311.779168	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+2Na"	45.978436
"1119346"	452.585868	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2Na"	45.978436
"1403599"	302.059670666667	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H+2Na"	46.985712
"1435713"	906.206046	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H+HCOOH"	47.012746
"225778"	887.21554	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+3H2O+2H"	56.04448
"1511287"	920.25809	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+IsoProp+H"	61.06479
"413891"	890.169488	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+Na+K"	61.952376
"771969"	1319.766138	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+Na+K"	61.952376
"1677424"	460.572838	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Na+K"	61.952376
"261757"	1782.402368	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+ACN+Na"	64.015768
"1237382"	923.209068	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+ACN+Na"	64.015768
"1721530"	923.232593	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+NH4+HCOOH"	64.039293
"1185062"	309.386984666667	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+3Na"	68.967654
"1659328"	928.187988	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Na+HCOOH"	68.994688
"165097"	1795.30564	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+2K-H"	76.91904
"604657"	2654.49894	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+2K-H"	76.91904
"1090263"	936.11234	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2K-H"	76.91904
"148173"	898.156458	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"2M+2K"	77.926316
"589924"	1327.753108	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"3M+2K"	77.926316
"1072249"	468.559808	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2K"	77.926316
"1115476"	938.126892	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2K+H"	78.933592
"1350237"	938.214507	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+DMSO+H"	79.021207
"1020227"	942.253676	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2ACN+H"	83.060376
"1537259"	943.247308	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+IsoProp+Na+H"	84.054008
"1004434"	471.630476	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+2ACN+2H"	84.067652
"1597115"	944.161928	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+K+HCOOH"	84.968628
"1420587"	974.193438	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+H+CF3COOH"	115.000138
"1157436"	492.143751	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+3ACN+2H"	125.094202
"1708082"	991.219985	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+NH4+CF3COOH"	132.026685
"1642638"	996.17538	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+Na+CF3COOH"	136.98208
"1577195"	1012.14932	"C08653"	"Malonylawobanin"	"C39H39O22"	"859.1933"	"M+K+CF3COOH"	152.95602
"804282"	509.2989	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M"	0
"975992"	490.28051	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-H2O-H"	-19.01839
"67152"	338.525324	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M-3H"	-3.021828
"505616"	508.291624	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M-3H"	-3.021828
"884513"	168.759024	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-3H"	-3.021828
"4180"	508.291624	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M-2H"	-2.014552
"448114"	762.941074	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M-2H"	-2.014552
"823729"	253.642174	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-2H"	-2.014552
"84816"	1017.590524	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M-H"	-1.007276
"533615"	1526.889424	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M-H"	-1.007276
"910687"	508.291624	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-H"	-1.007276
"62486"	1034.617071	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M-2H+NH4"	16.019271
"501340"	1543.915971	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M-2H+NH4"	16.019271
"879392"	525.318171	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-2H+NH4"	16.019271
"46897"	1039.572466	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M-2H+Na"	20.974666
"486819"	1548.871366	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M-2H+Na"	20.974666
"863683"	530.273566	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-2H+Na"	20.974666
"1627631"	530.273566	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Na-2H"	20.974666
"105252"	526.279963	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M-H+Cl"	33.962126
"545904"	780.929413	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M-H+Cl"	33.962126
"939417"	271.630513	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-H+Cl"	33.962126
"274693"	1053.567202	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+Cl"	34.969402
"664925"	1562.866102	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+Cl"	34.969402
"1277327"	544.268302	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Cl"	34.969402
"18794"	1055.546406	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M-2H+K"	36.948606
"457502"	1564.845306	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M-2H+K"	36.948606
"833276"	546.247506	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-2H+K"	36.948606
"1556236"	546.247506	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+K-2H"	36.948606
"943876"	554.297094	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-H+HCOOH"	44.998194
"367204"	1063.596001	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+HCOOH-H"	44.998201
"351087"	1077.611651	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+Hac-H"	59.013851
"1503932"	568.312751	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Hac-H"	59.013851
"962360"	576.279051	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-H+NaCOOH"	66.980151
"119287"	544.268302	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+2Cl"	69.938804
"557754"	798.917752	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+2Cl"	69.938804
"1033114"	289.618852	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2Cl"	69.938804
"1252693"	588.217785	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Br"	78.918885
"1312954"	590.273772	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Cl+HCOOH"	80.974872
"1323889"	612.255729	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Cl+NaCOOH"	102.956829
"912394"	622.284486	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M-H+CF3COOH"	112.985586
"1288693"	658.261164	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Cl+CF3COOH"	148.962264
"1367991"	474.286224	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H-2H2O"	-35.012676
"1388404"	492.2962	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H-H2O"	-17.0027
"293555"	1019.605076	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+H"	1.007276
"681605"	1528.903976	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+H"	1.007276
"1353582"	510.306176	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H"	1.007276
"126348"	510.306176	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+2H"	2.014552
"569318"	764.955626	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+2H"	2.014552
"1043587"	255.656726	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2H"	2.014552
"207843"	340.539876	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+3H"	3.021828
"649225"	510.306176	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+3H"	3.021828
"1164797"	170.773576	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+3H"	3.021828
"425637"	1036.631623	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+NH4"	18.033823
"788698"	1545.930523	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+NH4"	18.033823
"1683569"	527.332723	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+NH4"	18.033823
"331847"	518.8194495	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+H+NH4"	19.041099
"728280"	773.4688995	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+H+NH4"	19.041099
"1484288"	264.1699995	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H+NH4"	19.041099
"399687"	1041.587018	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+Na"	22.989218
"757402"	1550.885918	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+Na"	22.989218
"1608791"	532.288118	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Na"	22.989218
"315546"	521.297147	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+H+Na"	23.996494
"707601"	775.946597	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+H+Na"	23.996494
"1462397"	266.647697	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H+Na"	23.996494
"1059410"	178.10089	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2H+Na"	25.00377
"1261086"	542.332386	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+CH3OH+H"	33.033486
"384036"	1057.560958	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+K"	38.963158
"741024"	1566.859858	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+K"	38.963158
"1548184"	548.262058	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+K"	38.963158
"309732"	529.284117	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+H+K"	39.970434
"702154"	783.933567	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+H+K"	39.970434
"1455975"	274.634667	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H+K"	39.970434
"239114"	1060.631626	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+ACN+H"	42.033826
"1214007"	551.332726	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+ACN+H"	42.033826
"1203357"	276.170001	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+ACN+2H"	43.041102
"199510"	1063.56896	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+2Na-H"	44.97116
"634694"	1572.86786	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+2Na-H"	44.97116
"1144772"	554.27006	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2Na-H"	44.97116
"182593"	532.288118	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+2Na"	45.978436
"616317"	786.937568	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+2Na"	45.978436
"1120551"	277.638668	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2Na"	45.978436
"1403709"	185.428204	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H+2Na"	46.985712
"1435824"	556.311646	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H+HCOOH"	47.012746
"225518"	537.32114	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+3H2O+2H"	56.04448
"1510300"	570.36369	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+IsoProp+H"	61.06479
"413273"	540.275088	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+Na+K"	61.952376
"772808"	794.924538	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+Na+K"	61.952376
"1677535"	285.625638	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Na+K"	61.952376
"262595"	1082.613568	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+ACN+Na"	64.015768
"1237491"	573.314668	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+ACN+Na"	64.015768
"1723097"	573.338193	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+NH4+HCOOH"	64.039293
"1185172"	192.755518	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+3Na"	68.967654
"1659439"	578.293588	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Na+HCOOH"	68.994688
"165207"	1095.51684	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+2K-H"	76.91904
"604767"	1604.81574	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+2K-H"	76.91904
"1088187"	586.21794	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2K-H"	76.91904
"148283"	548.262058	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"2M+2K"	77.926316
"587848"	802.911508	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"3M+2K"	77.926316
"1072359"	293.612608	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2K"	77.926316
"1115178"	588.232492	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2K+H"	78.933592
"1350468"	588.320107	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+DMSO+H"	79.021207
"1019245"	592.359276	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2ACN+H"	83.060376
"1537369"	593.352908	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+IsoProp+Na+H"	84.054008
"1003814"	296.683276	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+2ACN+2H"	84.067652
"1589934"	594.267528	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+K+HCOOH"	84.968628
"1420697"	624.299038	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+H+CF3COOH"	115.000138
"1157546"	317.196551	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+3ACN+2H"	125.094202
"1708192"	641.325585	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+NH4+CF3COOH"	132.026685
"1642748"	646.28098	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+Na+CF3COOH"	136.98208
"1577305"	662.25492	"C08654"	"Acetylbrowniine;Browniine 14-acetate"	"C27H43NO8"	"509.2989"	"M+K+CF3COOH"	152.95602
"807672"	661.3098	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M"	0
"975738"	642.29141	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-H2O-H"	-19.01839
"65075"	439.865924	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M-3H"	-3.021828
"506820"	660.302524	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M-3H"	-3.021828
"885716"	219.429324	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-3H"	-3.021828
"4289"	660.302524	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M-2H"	-2.014552
"446038"	990.957424	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M-2H"	-2.014552
"823839"	329.647624	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-2H"	-2.014552
"84926"	1321.612324	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M-H"	-1.007276
"533115"	1982.922124	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M-H"	-1.007276
"910717"	660.302524	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-H"	-1.007276
"62684"	1338.638871	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M-2H+NH4"	16.019271
"502550"	1999.948671	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M-2H+NH4"	16.019271
"879844"	677.329071	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-2H+NH4"	16.019271
"47073"	1343.594266	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M-2H+Na"	20.974666
"487096"	2004.904066	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M-2H+Na"	20.974666
"862941"	682.284466	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-2H+Na"	20.974666
"1628833"	682.284466	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Na-2H"	20.974666
"102082"	678.290863	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M-H+Cl"	33.962126
"546015"	1008.945763	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M-H+Cl"	33.962126
"939526"	347.635963	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-H+Cl"	33.962126
"275896"	1357.589002	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+Cl"	34.969402
"667222"	2018.898802	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+Cl"	34.969402
"1281811"	696.279202	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Cl"	34.969402
"25464"	1359.568206	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M-2H+K"	36.948606
"460650"	2020.878006	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M-2H+K"	36.948606
"836629"	698.258406	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-2H+K"	36.948606
"1557566"	698.258406	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+K-2H"	36.948606
"945449"	706.307994	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-H+HCOOH"	44.998194
"366221"	1367.617801	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+HCOOH-H"	44.998201
"350469"	1381.633451	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+Hac-H"	59.013851
"1504042"	720.323651	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Hac-H"	59.013851
"965022"	728.289951	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-H+NaCOOH"	66.980151
"119397"	696.279202	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+2Cl"	69.938804
"557864"	1026.934102	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+2Cl"	69.938804
"1035411"	365.624302	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2Cl"	69.938804
"1252803"	740.228685	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Br"	78.918885
"1309784"	742.284672	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Cl+HCOOH"	80.974872
"1325092"	764.266629	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Cl+NaCOOH"	102.956829
"914691"	774.295386	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M-H+CF3COOH"	112.985586
"1288845"	810.272064	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Cl+CF3COOH"	148.962264
"1372112"	626.297124	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H-2H2O"	-35.012676
"1385234"	644.3071	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H-H2O"	-17.0027
"287105"	1323.626876	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+H"	1.007276
"682808"	1984.936676	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+H"	1.007276
"1355149"	662.317076	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H"	1.007276
"127675"	662.317076	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+2H"	2.014552
"569064"	992.971976	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+2H"	2.014552
"1039322"	331.662176	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2H"	2.014552
"206856"	441.880476	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+3H"	3.021828
"652253"	662.317076	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+3H"	3.021828
"1167096"	221.443876	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+3H"	3.021828
"424899"	1340.653423	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+NH4"	18.033823
"788079"	2001.963223	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+NH4"	18.033823
"1684043"	679.343623	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+NH4"	18.033823
"332324"	670.8303495	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+H+NH4"	19.041099
"728391"	1001.4852495	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+H+NH4"	19.041099
"1486585"	340.1754495	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H+NH4"	19.041099
"398703"	1345.608818	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+Na"	22.989218
"756417"	2006.918618	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+Na"	22.989218
"1609995"	684.299018	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Na"	22.989218
"315046"	673.308047	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+H+Na"	23.996494
"708198"	1003.962947	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+H+Na"	23.996494
"1464088"	342.653147	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H+Na"	23.996494
"1061707"	228.77119	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2H+Na"	25.00377
"1260103"	694.343286	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+CH3OH+H"	33.033486
"385240"	1361.582758	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+K"	38.963158
"742956"	2022.892558	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+K"	38.963158
"1553397"	700.272958	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+K"	38.963158
"310207"	681.295017	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+H+K"	39.970434
"704816"	1011.949917	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+H+K"	39.970434
"1456814"	350.640117	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H+K"	39.970434
"250644"	1364.653426	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+ACN+H"	42.033826
"1225580"	703.343626	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+ACN+H"	42.033826
"1204562"	352.175451	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+ACN+2H"	43.041102
"200713"	1367.59076	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+2Na-H"	44.97116
"636992"	2028.90056	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+2Na-H"	44.97116
"1145615"	706.28096	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2Na-H"	44.97116
"185983"	684.299018	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+2Na"	45.978436
"618249"	1014.953918	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+2Na"	45.978436
"1125762"	353.644118	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2Na"	45.978436
"1405641"	236.098504	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H+2Na"	46.985712
"1436299"	708.322546	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H+HCOOH"	47.012746
"226721"	689.33204	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+3H2O+2H"	56.04448
"1511139"	722.37459	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+IsoProp+H"	61.06479
"413747"	692.285988	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+Na+K"	61.952376
"773283"	1022.940888	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+Na+K"	61.952376
"1678010"	361.631088	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Na+K"	61.952376
"262705"	1386.635368	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+ACN+Na"	64.015768
"1238695"	725.325568	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+ACN+Na"	64.015768
"1726490"	725.349093	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+NH4+HCOOH"	64.039293
"1190750"	243.425818	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+3Na"	68.967654
"1662829"	730.304488	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Na+HCOOH"	68.994688
"167506"	1399.53864	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+2K-H"	76.91904
"612758"	2060.84844	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+2K-H"	76.91904
"1095952"	738.22884	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2K-H"	76.91904
"151673"	700.272958	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"2M+2K"	77.926316
"587958"	1030.927858	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"3M+2K"	77.926316
"1070646"	369.618058	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2K"	77.926316
"1114924"	740.243392	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2K+H"	78.933592
"1349240"	740.331007	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+DMSO+H"	79.021207
"1018261"	744.370176	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2ACN+H"	83.060376
"1535292"	745.363808	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+IsoProp+Na+H"	84.054008
"1001737"	372.688726	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+2ACN+2H"	84.067652
"1589680"	746.278428	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+K+HCOOH"	84.968628
"1420807"	776.309938	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+H+CF3COOH"	115.000138
"1157656"	393.202001	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+3ACN+2H"	125.094202
"1708302"	793.336485	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+NH4+CF3COOH"	132.026685
"1642858"	798.29188	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+Na+CF3COOH"	136.98208
"1577415"	814.26582	"C08655"	"Aconifine;Aconitane-3810131415-hexol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- 8-acetate 14-benzoate (1-alpha3-alpha6-alpha14-alpha15-alpha16-beta)-"	"C34H47NO12"	"661.3098"	"M+K+CF3COOH"	152.95602
"804502"	359.246	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M"	0
"981315"	340.22761	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-H2O-H"	-19.01839
"64454"	238.490057333333	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M-3H"	-3.021828
"508024"	358.238724	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M-3H"	-3.021828
"883638"	118.741390666667	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-3H"	-3.021828
"7680"	358.238724	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M-2H"	-2.014552
"442866"	537.861724	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M-2H"	-2.014552
"823949"	178.615724	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-2H"	-2.014552
"82846"	717.484724	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M-H"	-1.007276
"532982"	1076.730724	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M-H"	-1.007276
"911271"	358.238724	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-H"	-1.007276
"62773"	734.511271	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M-2H+NH4"	16.019271
"502537"	1093.757271	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M-2H+NH4"	16.019271
"875959"	375.265271	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-2H+NH4"	16.019271
"46048"	739.466666	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M-2H+Na"	20.974666
"487028"	1098.712666	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M-2H+Na"	20.974666
"862687"	380.220666	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-2H+Na"	20.974666
"1633967"	380.220666	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Na-2H"	20.974666
"108631"	376.227063	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M-H+Cl"	33.962126
"547218"	555.850063	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M-H+Cl"	33.962126
"938543"	196.604063	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-H+Cl"	33.962126
"278193"	753.461402	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+Cl"	34.969402
"668426"	1112.707402	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+Cl"	34.969402
"1281921"	394.215402	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Cl"	34.969402
"25574"	755.440606	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M-2H+K"	36.948606
"459667"	1114.686606	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M-2H+K"	36.948606
"837468"	396.194606	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-2H+K"	36.948606
"1558771"	396.194606	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+K-2H"	36.948606
"945559"	404.244194	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-H+HCOOH"	44.998194
"365238"	763.490201	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+HCOOH-H"	44.998201
"350579"	777.505851	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+Hac-H"	59.013851
"1503788"	418.259851	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Hac-H"	59.013851
"965132"	426.226151	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-H+NaCOOH"	66.980151
"119507"	394.215402	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+2Cl"	69.938804
"557974"	573.838402	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+2Cl"	69.938804
"1032241"	214.592402	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2Cl"	69.938804
"1250726"	438.164885	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Br"	78.918885
"1309894"	440.220872	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Cl+HCOOH"	80.974872
"1324109"	462.202829	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Cl+NaCOOH"	102.956829
"912978"	472.231586	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M-H+CF3COOH"	112.985586
"1288522"	508.208264	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Cl+CF3COOH"	148.962264
"1372222"	324.233324	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H-2H2O"	-35.012676
"1385344"	342.2433	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H-H2O"	-17.0027
"286122"	719.499276	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+H"	1.007276
"682918"	1078.745276	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+H"	1.007276
"1352707"	360.253276	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H"	1.007276
"127417"	360.253276	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+2H"	2.014552
"568810"	539.876276	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+2H"	2.014552
"1040891"	180.630276	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2H"	2.014552
"206238"	240.504609333333	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+3H"	3.021828
"652363"	360.253276	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+3H"	3.021828
"1166478"	120.755942666667	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+3H"	3.021828
"426104"	736.525823	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+NH4"	18.033823
"786002"	1095.771823	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+NH4"	18.033823
"1681479"	377.279823	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+NH4"	18.033823
"331707"	368.7665495	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+H+NH4"	19.041099
"726314"	548.3895495	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+H+NH4"	19.041099
"1483415"	189.1435495	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H+NH4"	19.041099
"398813"	741.481218	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+Na"	22.989218
"755434"	1100.727218	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+Na"	22.989218
"1607916"	382.235218	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Na"	22.989218
"315886"	371.244247	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+H+Na"	23.996494
"708308"	550.867247	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+H+Na"	23.996494
"1466385"	191.621247	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H+Na"	23.996494
"1060724"	128.083256666667	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2H+Na"	25.00377
"1260213"	392.279486	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+CH3OH+H"	33.033486
"385350"	757.455158	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+K"	38.963158
"743066"	1116.701158	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+K"	38.963158
"1552050"	398.209158	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+K"	38.963158
"309952"	379.231217	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+H+K"	39.970434
"703103"	558.854217	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+H+K"	39.970434
"1455831"	199.608217	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H+K"	39.970434
"250875"	760.525826	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+ACN+H"	42.033826
"1225337"	401.279826	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+ACN+H"	42.033826
"1202486"	201.143551	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+ACN+2H"	43.041102
"199730"	763.46316	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+2Na-H"	44.97116
"636009"	1122.70916	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+2Na-H"	44.97116
"1146775"	404.21716	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2Na-H"	44.97116
"185000"	382.235218	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+2Na"	45.978436
"617995"	561.858218	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+2Na"	45.978436
"1122957"	202.612218	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2Na"	45.978436
"1403565"	135.410570666667	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H+2Na"	46.985712
"1434222"	406.258746	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H+HCOOH"	47.012746
"225738"	387.26824	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+3H2O+2H"	56.04448
"1510156"	420.31079	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+IsoProp+H"	61.06479
"412764"	390.222188	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+Na+K"	61.952376
"772300"	569.845188	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+Na+K"	61.952376
"1673011"	210.599188	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Na+K"	61.952376
"262815"	782.507768	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+ACN+Na"	64.015768
"1238441"	423.261768	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+ACN+Na"	64.015768
"1728311"	423.285293	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+NH4+HCOOH"	64.039293
"1190861"	142.737884666667	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+3Na"	68.967654
"1661845"	428.240688	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Na+HCOOH"	68.994688
"172789"	795.41104	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+2K-H"	76.91904
"612608"	1154.65704	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+2K-H"	76.91904
"1097884"	436.16504	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2K-H"	76.91904
"152877"	398.209158	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"2M+2K"	77.926316
"592442"	577.832158	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"3M+2K"	77.926316
"1072579"	218.586158	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2K"	77.926316
"1101413"	438.179592	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2K+H"	78.933592
"1350080"	438.267207	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+DMSO+H"	79.021207
"1020435"	442.306376	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2ACN+H"	83.060376
"1537467"	443.300008	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+IsoProp+Na+H"	84.054008
"1002940"	221.656826	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+2ACN+2H"	84.067652
"1589790"	444.214628	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+K+HCOOH"	84.968628
"1420917"	474.246138	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+H+CF3COOH"	115.000138
"1154486"	242.170101	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+3ACN+2H"	125.094202
"1708412"	491.272685	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+NH4+CF3COOH"	132.026685
"1642968"	496.22808	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+Na+CF3COOH"	136.98208
"1577525"	512.20202	"C08656"	"Ajaconine"	"C22H33NO3"	"359.246"	"M+K+CF3COOH"	152.95602
"811173"	652.2996	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M"	0
"974865"	633.28121	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-H2O-H"	-19.01839
"63227"	433.859124	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M-3H"	-3.021828
"502869"	651.292324	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M-3H"	-3.021828
"880115"	216.425924	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-3H"	-3.021828
"1586"	651.292324	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M-2H"	-2.014552
"441882"	977.442124	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M-2H"	-2.014552
"817860"	325.142524	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-2H"	-2.014552
"82956"	1303.591924	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M-H"	-1.007276
"530905"	1955.891524	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M-H"	-1.007276
"902871"	651.292324	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-H"	-1.007276
"61630"	1320.618471	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M-2H+NH4"	16.019271
"498632"	1972.918071	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M-2H+NH4"	16.019271
"876433"	668.318871	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-2H+NH4"	16.019271
"42147"	1325.573866	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M-2H+Na"	20.974666
"485600"	1977.873466	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M-2H+Na"	20.974666
"862068"	673.274266	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-2H+Na"	20.974666
"1633918"	673.274266	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Na-2H"	20.974666
"105581"	669.280663	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M-H+Cl"	33.962126
"544048"	995.430463	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M-H+Cl"	33.962126
"939747"	343.130863	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-H+Cl"	33.962126
"278303"	1339.568602	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+Cl"	34.969402
"666349"	1991.868202	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+Cl"	34.969402
"1278751"	687.269002	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Cl"	34.969402
"25684"	1341.547806	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M-2H+K"	36.948606
"456253"	1993.847406	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M-2H+K"	36.948606
"837578"	689.248206	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-2H+K"	36.948606
"1556692"	689.248206	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+K-2H"	36.948606
"942951"	697.297794	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-H+HCOOH"	44.998194
"365348"	1349.597401	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+HCOOH-H"	44.998201
"350689"	1363.613051	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+Hac-H"	59.013851
"1504262"	711.313451	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Hac-H"	59.013851
"964149"	719.279751	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-H+NaCOOH"	66.980151
"119617"	687.269002	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+2Cl"	69.938804
"556991"	1013.418802	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+2Cl"	69.938804
"1032351"	361.119202	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2Cl"	69.938804
"1249743"	731.218485	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Br"	78.918885
"1310004"	733.274472	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Cl+HCOOH"	80.974872
"1322032"	755.256429	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Cl+NaCOOH"	102.956829
"914183"	765.285186	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M-H+CF3COOH"	112.985586
"1289795"	801.261864	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Cl+CF3COOH"	148.962264
"1373425"	617.286924	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H-2H2O"	-35.012676
"1388734"	635.2969	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H-H2O"	-17.0027
"286232"	1305.606476	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+H"	1.007276
"680841"	1957.906076	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+H"	1.007276
"1355003"	653.306876	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H"	1.007276
"128620"	653.306876	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+2H"	2.014552
"568556"	979.456676	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+2H"	2.014552
"1038814"	327.157076	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2H"	2.014552
"204428"	435.873676	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+3H"	3.021828
"645293"	653.306876	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+3H"	3.021828
"1168410"	218.440476	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+3H"	3.021828
"429495"	1322.633023	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+NH4"	18.033823
"787935"	1974.932623	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+NH4"	18.033823
"1682435"	670.333423	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+NH4"	18.033823
"332908"	661.8201495	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+H+NH4"	19.041099
"728244"	987.9699495	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+H+NH4"	19.041099
"1483523"	335.6703495	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H+NH4"	19.041099
"401109"	1327.588418	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+Na"	22.989218
"758825"	1979.888018	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+Na"	22.989218
"1605840"	675.288818	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Na"	22.989218
"317332"	664.297847	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+H+Na"	23.996494
"709754"	990.447647	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+H+Na"	23.996494
"1468681"	338.148047	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H+Na"	23.996494
"1063020"	225.76779	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2H+Na"	25.00377
"1258258"	685.333086	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+CH3OH+H"	33.033486
"385460"	1343.562358	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+K"	38.963158
"745363"	1995.861958	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+K"	38.963158
"1554956"	691.262758	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+K"	38.963158
"308968"	672.284817	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+H+K"	39.970434
"703578"	998.434617	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+H+K"	39.970434
"1458128"	346.135017	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H+K"	39.970434
"248190"	1346.633026	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+ACN+H"	42.033826
"1224549"	694.333426	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+ACN+H"	42.033826
"1205876"	347.670351	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+ACN+2H"	43.041102
"199839"	1349.57036	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+2Na-H"	44.97116
"636120"	2001.86996	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+2Na-H"	44.97116
"1135984"	697.27076	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2Na-H"	44.97116
"180735"	675.288818	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+2Na"	45.978436
"617740"	1001.438618	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+2Na"	45.978436
"1122702"	349.139018	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2Na"	45.978436
"1405131"	233.095104	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H+2Na"	46.985712
"1436153"	699.312346	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H+HCOOH"	47.012746
"226941"	680.32184	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+3H2O+2H"	56.04448
"1512817"	713.36439	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+IsoProp+H"	61.06479
"412510"	683.275788	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+Na+K"	61.952376
"774599"	1009.425588	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+Na+K"	61.952376
"1670934"	357.125988	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Na+K"	61.952376
"262197"	1368.614968	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+ACN+Na"	64.015768
"1236365"	716.315368	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+ACN+Na"	64.015768
"1723429"	716.338893	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+NH4+HCOOH"	64.039293
"1190971"	240.422418	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+3Na"	68.967654
"1660498"	721.294288	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Na+HCOOH"	68.994688
"172547"	1381.51824	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+2K-H"	76.91904
"612780"	2033.81784	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+2K-H"	76.91904
"1095079"	729.21864	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2K-H"	76.91904
"151893"	691.262758	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"2M+2K"	77.926316
"587080"	1017.412558	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"3M+2K"	77.926316
"1071595"	365.112958	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2K"	77.926316
"1102616"	731.233192	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2K+H"	78.933592
"1350554"	731.320807	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+DMSO+H"	79.021207
"1020992"	735.359976	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2ACN+H"	83.060376
"1539646"	736.353608	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+IsoProp+Na+H"	84.054008
"1004144"	368.183626	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+2ACN+2H"	84.067652
"1589900"	737.268228	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+K+HCOOH"	84.968628
"1421027"	767.299738	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+H+CF3COOH"	115.000138
"1154596"	388.696901	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+3ACN+2H"	125.094202
"1708522"	784.326285	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+NH4+CF3COOH"	132.026685
"1643078"	789.28168	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+Na+CF3COOH"	136.98208
"1577635"	805.25562	"C08657"	"Anhwiedelphinine"	"C35H44N2O10"	"652.2996"	"M+K+CF3COOH"	152.95602
"813470"	541.304	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M"	0
"977161"	522.28561	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-H2O-H"	-19.01839
"63701"	359.862057333333	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M-3H"	-3.021828
"503503"	540.296724	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M-3H"	-3.021828
"880041"	179.427390666667	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-3H"	-3.021828
"1092"	540.296724	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M-2H"	-2.014552
"440654"	810.948724	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M-2H"	-2.014552
"818334"	269.644724	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-2H"	-2.014552
"81972"	1081.600724	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M-H"	-1.007276
"523723"	1622.904724	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M-H"	-1.007276
"902615"	540.296724	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-H"	-1.007276
"62837"	1098.627271	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M-2H+NH4"	16.019271
"496555"	1639.931271	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M-2H+NH4"	16.019271
"876179"	557.323271	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-2H+NH4"	16.019271
"43349"	1103.582666	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M-2H+Na"	20.974666
"484371"	1644.886666	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M-2H+Na"	20.974666
"860352"	562.278666	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-2H+Na"	20.974666
"1632444"	562.278666	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Na-2H"	20.974666
"107877"	558.285063	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M-H+Cl"	33.962126
"549382"	828.937063	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M-H+Cl"	33.962126
"939857"	287.633063	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-H+Cl"	33.962126
"278413"	1117.577402	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+Cl"	34.969402
"665366"	1658.881402	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+Cl"	34.969402
"1278861"	576.273402	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Cl"	34.969402
"22514"	1119.556606	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M-2H+K"	36.948606
"457822"	1660.860606	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M-2H+K"	36.948606
"837688"	578.252606	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-2H+K"	36.948606
"1556438"	578.252606	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+K-2H"	36.948606
"942877"	586.302194	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-H+HCOOH"	44.998194
"361492"	1127.606201	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+HCOOH-H"	44.998201
"345703"	1141.621851	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+Hac-H"	59.013851
"1497811"	600.317851	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Hac-H"	59.013851
"962436"	608.284151	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-H+NaCOOH"	66.980151
"112071"	576.273402	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+2Cl"	69.938804
"557101"	846.925402	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+2Cl"	69.938804
"1032097"	305.621402	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2Cl"	69.938804
"1249853"	620.222885	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Br"	78.918885
"1310114"	622.278872	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Cl+HCOOH"	80.974872
"1322262"	644.260829	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Cl+NaCOOH"	102.956829
"912468"	654.289586	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M-H+CF3COOH"	112.985586
"1289904"	690.266264	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Cl+CF3COOH"	148.962264
"1372441"	506.291324	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H-2H2O"	-35.012676
"1388844"	524.3013	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H-H2O"	-17.0027
"286342"	1083.615276	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+H"	1.007276
"678764"	1624.919276	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+H"	1.007276
"1354019"	542.311276	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H"	1.007276
"128366"	542.311276	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+2H"	2.014552
"566356"	812.963276	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+2H"	2.014552
"1038924"	271.659276	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2H"	2.014552
"204869"	361.876609333333	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+3H"	3.021828
"644672"	542.311276	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+3H"	3.021828
"1162877"	181.441942666667	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+3H"	3.021828
"424853"	1100.641823	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+NH4"	18.033823
"786584"	1641.945823	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+NH4"	18.033823
"1684010"	559.337823	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+NH4"	18.033823
"333747"	550.8245495	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+H+NH4"	19.041099
"725073"	821.4765495	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+H+NH4"	19.041099
"1481444"	280.1725495	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H+NH4"	19.041099
"396480"	1105.597218	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+Na"	22.989218
"756745"	1646.901218	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+Na"	22.989218
"1605949"	564.293218	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Na"	22.989218
"317076"	553.302247	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+H+Na"	23.996494
"707794"	823.954247	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+H+Na"	23.996494
"1468791"	282.650247	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H+Na"	23.996494
"1063130"	188.769256666667	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2H+Na"	25.00377
"1264807"	574.337486	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+CH3OH+H"	33.033486
"385570"	1121.571158	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+K"	38.963158
"745473"	1662.875158	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+K"	38.963158
"1552999"	580.267158	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+K"	38.963158
"309444"	561.289217	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+H+K"	39.970434
"705148"	831.941217	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+H+K"	39.970434
"1457511"	290.637217	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H+K"	39.970434
"248300"	1124.641826	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+ACN+H"	42.033826
"1224898"	583.337826	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+ACN+H"	42.033826
"1205986"	292.172551	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+ACN+2H"	43.041102
"201042"	1127.57916	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+2Na-H"	44.97116
"638417"	1668.88316	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+2Na-H"	44.97116
"1138645"	586.27516	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2Na-H"	44.97116
"181938"	564.293218	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+2Na"	45.978436
"622586"	834.945218	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+2Na"	45.978436
"1123905"	293.641218	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2Na"	45.978436
"1405240"	196.096570666667	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H+2Na"	46.985712
"1435171"	588.316746	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H+HCOOH"	47.012746
"224137"	569.32624	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+3H2O+2H"	56.04448
"1515113"	602.36879	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+IsoProp+H"	61.06479
"412620"	572.280188	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+Na+K"	61.952376
"775802"	842.932188	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+Na+K"	61.952376
"1671044"	301.628188	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Na+K"	61.952376
"263036"	1146.623768	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+ACN+Na"	64.015768
"1237568"	605.319768	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+ACN+Na"	64.015768
"1726454"	605.343293	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+NH4+HCOOH"	64.039293
"1190717"	203.423884666667	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+3Na"	68.967654
"1662795"	610.298688	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Na+HCOOH"	68.994688
"172779"	1159.52704	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+2K-H"	76.91904
"612669"	1700.83104	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+2K-H"	76.91904
"1097985"	618.22304	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2K-H"	76.91904
"152003"	580.267158	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"2M+2K"	77.926316
"588283"	850.919158	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"3M+2K"	77.926316
"1073892"	309.615158	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2K"	77.926316
"1103821"	620.237592	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2K+H"	78.933592
"1349571"	620.325207	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+DMSO+H"	79.021207
"1020410"	624.364376	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2ACN+H"	83.060376
"1538659"	625.358008	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+IsoProp+Na+H"	84.054008
"1003040"	312.685826	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+2ACN+2H"	84.067652
"1590010"	626.272628	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+K+HCOOH"	84.968628
"1421137"	656.304138	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+H+CF3COOH"	115.000138
"1154706"	333.199101	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+3ACN+2H"	125.094202
"1708632"	673.330685	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+NH4+CF3COOH"	132.026685
"1639908"	678.28608	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+Na+CF3COOH"	136.98208
"1577745"	694.26002	"C08658"	"Anopterine"	"C31H43NO7"	"541.304"	"M+K+CF3COOH"	152.95602
"813580"	586.3254	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M"	0
"976178"	567.30701	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-H2O-H"	-19.01839
"65510"	389.876324	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M-3H"	-3.021828
"507258"	585.318124	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M-3H"	-3.021828
"882144"	194.434524	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-3H"	-3.021828
"3635"	585.318124	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M-2H"	-2.014552
"443922"	878.480824	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M-2H"	-2.014552
"823184"	292.155424	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-2H"	-2.014552
"85363"	1171.643524	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M-H"	-1.007276
"524927"	1757.968924	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M-H"	-1.007276
"904912"	585.318124	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-H"	-1.007276
"61606"	1188.670071	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M-2H+NH4"	16.019271
"497758"	1774.995471	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M-2H+NH4"	16.019271
"876652"	602.344671	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-2H+NH4"	16.019271
"42365"	1193.625466	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M-2H+Na"	20.974666
"485818"	1779.950866	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M-2H+Na"	20.974666
"861919"	607.300066	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-2H+Na"	20.974666
"1631462"	607.300066	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Na-2H"	20.974666
"107866"	603.306463	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M-H+Cl"	33.962126
"547548"	896.469163	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M-H+Cl"	33.962126
"938874"	310.143763	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-H+Cl"	33.962126
"278523"	1207.620202	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+Cl"	34.969402
"662196"	1793.945602	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+Cl"	34.969402
"1275691"	621.294802	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Cl"	34.969402
"18371"	1209.599406	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M-2H+K"	36.948606
"457931"	1795.924806	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M-2H+K"	36.948606
"834639"	623.274006	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-2H+K"	36.948606
"1556790"	623.274006	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+K-2H"	36.948606
"943453"	631.323594	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-H+HCOOH"	44.998194
"363379"	1217.649001	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+HCOOH-H"	44.998201
"346044"	1231.664651	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+Hac-H"	59.013851
"1500107"	645.339251	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Hac-H"	59.013851
"965462"	653.305551	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-H+NaCOOH"	66.980151
"114368"	621.294802	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+2Cl"	69.938804
"557211"	914.457502	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+2Cl"	69.938804
"1027103"	328.132102	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2Cl"	69.938804
"1244495"	665.244285	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Br"	78.918885
"1305118"	667.300272	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Cl+HCOOH"	80.974872
"1321882"	689.282229	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Cl+NaCOOH"	102.956829
"913307"	699.310986	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M-H+CF3COOH"	112.985586
"1291837"	735.287664	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Cl+CF3COOH"	148.962264
"1368904"	551.312724	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H-2H2O"	-35.012676
"1387860"	569.3227	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H-H2O"	-17.0027
"285358"	1173.658076	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+H"	1.007276
"677049"	1759.983476	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+H"	1.007276
"1353401"	587.332676	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H"	1.007276
"128476"	587.332676	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+2H"	2.014552
"570233"	880.495376	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+2H"	2.014552
"1039398"	294.169976	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2H"	2.014552
"204499"	391.890876	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+3H"	3.021828
"644785"	587.332676	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+3H"	3.021828
"1163151"	196.449076	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+3H"	3.021828
"424761"	1190.684623	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+NH4"	18.033823
"786811"	1777.010023	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+NH4"	18.033823
"1682659"	604.359223	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+NH4"	18.033823
"333491"	595.8459495	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+H+NH4"	19.041099
"725911"	889.0086495	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+H+NH4"	19.041099
"1478635"	302.6832495	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H+NH4"	19.041099
"394399"	1195.640018	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+Na"	22.989218
"755759"	1781.965418	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+Na"	22.989218
"1606059"	609.314618	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Na"	22.989218
"317186"	598.323647	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+H+Na"	23.996494
"707415"	891.486347	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+H+Na"	23.996494
"1468901"	305.160947	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H+Na"	23.996494
"1063605"	203.77639	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2H+Na"	25.00377
"1264917"	619.358886	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+CH3OH+H"	33.033486
"383493"	1211.613958	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+K"	38.963158
"746677"	1797.939358	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+K"	38.963158
"1553109"	625.288558	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+K"	38.963158
"310282"	606.310617	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+H+K"	39.970434
"705258"	899.473317	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+H+K"	39.970434
"1457617"	313.147917	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H+K"	39.970434
"248046"	1214.684626	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+ACN+H"	42.033826
"1225053"	628.359226	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+ACN+H"	42.033826
"1202813"	314.683251	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+ACN+2H"	43.041102
"199695"	1217.62196	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+2Na-H"	44.97116
"638892"	1803.94736	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+2Na-H"	44.97116
"1139120"	631.29656	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2Na-H"	44.97116
"180954"	609.314618	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+2Na"	45.978436
"619781"	902.477318	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+2Na"	45.978436
"1122923"	316.151918	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2Na"	45.978436
"1404620"	211.103704	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H+2Na"	46.985712
"1435643"	633.338146	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H+HCOOH"	47.012746
"225340"	614.34764	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+3H2O+2H"	56.04448
"1514858"	647.39019	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+IsoProp+H"	61.06479
"411636"	617.301588	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+Na+K"	61.952376
"773359"	910.464288	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+Na+K"	61.952376
"1674433"	324.138888	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Na+K"	61.952376
"259857"	1236.666568	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+ACN+Na"	64.015768
"1239135"	650.341168	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+ACN+Na"	64.015768
"1724376"	650.364693	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+NH4+HCOOH"	64.039293
"1191191"	218.431018	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+3Na"	68.967654
"1661083"	655.320088	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Na+HCOOH"	68.994688
"171955"	1249.56984	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+2K-H"	76.91904
"612377"	1835.89524	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+2K-H"	76.91904
"1098095"	663.24444	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2K-H"	76.91904
"152114"	625.288558	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"2M+2K"	77.926316
"591673"	918.451258	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"3M+2K"	77.926316
"1074002"	332.125858	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2K"	77.926316
"1103931"	665.258992	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2K+H"	78.933592
"1351100"	665.346607	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+DMSO+H"	79.021207
"1020641"	669.385776	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2ACN+H"	83.060376
"1537918"	670.379408	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+IsoProp+Na+H"	84.054008
"1003270"	335.196526	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+2ACN+2H"	84.067652
"1590120"	671.294028	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+K+HCOOH"	84.968628
"1421247"	701.325538	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+H+CF3COOH"	115.000138
"1154816"	355.709801	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+3ACN+2H"	125.094202
"1707649"	718.352085	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+NH4+CF3COOH"	132.026685
"1643298"	723.30748	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+Na+CF3COOH"	136.98208
"1577855"	739.28142	"C08659"	"Inuline;Anthranoyllycoctonine"	"C32H46N2O8"	"586.3254"	"M+K+CF3COOH"	152.95602
"811504"	343.2511	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M"	0
"976652"	324.23271	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-H2O-H"	-19.01839
"63190"	227.826790666667	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M-3H"	-3.021828
"505910"	342.243824	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M-3H"	-3.021828
"881160"	113.409757333333	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-3H"	-3.021828
"2286"	342.243824	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M-2H"	-2.014552
"440753"	513.869374	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M-2H"	-2.014552
"819286"	170.618274	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-2H"	-2.014552
"81465"	685.494924	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M-H"	-1.007276
"525037"	1028.746024	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M-H"	-1.007276
"901743"	342.243824	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-H"	-1.007276
"61470"	702.521471	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M-2H+NH4"	16.019271
"496775"	1045.772571	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M-2H+NH4"	16.019271
"876398"	359.270371	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-2H+NH4"	16.019271
"42475"	707.476866	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M-2H+Na"	20.974666
"479848"	1050.727966	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M-2H+Na"	20.974666
"858745"	364.225766	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-2H+Na"	20.974666
"1630479"	364.225766	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Na-2H"	20.974666
"109069"	360.232163	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M-H+Cl"	33.962126
"549238"	531.857713	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M-H+Cl"	33.962126
"940077"	188.606613	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-H+Cl"	33.962126
"275353"	721.471602	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+Cl"	34.969402
"662670"	1064.722702	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+Cl"	34.969402
"1275801"	378.220502	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Cl"	34.969402
"17509"	723.450806	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M-2H+K"	36.948606
"456094"	1066.701906	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M-2H+K"	36.948606
"833003"	380.199706	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-2H+K"	36.948606
"1556050"	380.199706	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+K-2H"	36.948606
"943928"	388.249294	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-H+HCOOH"	44.998194
"364582"	731.500401	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+HCOOH-H"	44.998201
"345878"	745.516051	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+Hac-H"	59.013851
"1499124"	402.264951	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Hac-H"	59.013851
"965572"	410.231251	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-H+NaCOOH"	66.980151
"112292"	378.220502	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+2Cl"	69.938804
"558414"	549.846052	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+2Cl"	69.938804
"1026120"	206.594952	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2Cl"	69.938804
"1246792"	422.169985	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Br"	78.918885
"1305228"	424.225972	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Cl+HCOOH"	80.974872
"1320535"	446.207929	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Cl+NaCOOH"	102.956829
"913053"	456.236686	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M-H+CF3COOH"	112.985586
"1294499"	492.213364	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Cl+CF3COOH"	148.962264
"1374847"	308.238424	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H-2H2O"	-35.012676
"1390157"	326.2484	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H-H2O"	-17.0027
"288748"	687.509476	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+H"	1.007276
"677890"	1030.760576	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+H"	1.007276
"1354241"	344.258376	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H"	1.007276
"129681"	344.258376	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+2H"	2.014552
"569979"	515.883926	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+2H"	2.014552
"1039144"	172.632826	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2H"	2.014552
"204366"	229.841342666667	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+3H"	3.021828
"645016"	344.258376	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+3H"	3.021828
"1163991"	115.424309333333	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+3H"	3.021828
"425807"	704.536023	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+NH4"	18.033823
"786805"	1047.787123	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+NH4"	18.033823
"1682767"	361.284923	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+NH4"	18.033823
"334694"	352.7716495	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+H+NH4"	19.041099
"725291"	524.3971995	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+H+NH4"	19.041099
"1479476"	181.1460995	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H+NH4"	19.041099
"396334"	709.491418	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+Na"	22.989218
"756236"	1052.742518	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+Na"	22.989218
"1606169"	366.240318	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Na"	22.989218
"316203"	355.249347	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+H+Na"	23.996494
"707324"	526.874897	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+H+Na"	23.996494
"1467918"	183.623797	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H+Na"	23.996494
"1062257"	122.751623333333	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2H+Na"	25.00377
"1265027"	376.284586	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+CH3OH+H"	33.033486
"382510"	725.465358	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+K"	38.963158
"746787"	1068.716458	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+K"	38.963158
"1552124"	382.214258	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+K"	38.963158
"312579"	363.236317	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+H+K"	39.970434
"706705"	534.861867	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+H+K"	39.970434
"1455539"	191.610767	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H+K"	39.970434
"248520"	728.536026	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+ACN+H"	42.033826
"1225514"	385.284926	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+ACN+H"	42.033826
"1204016"	193.146101	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+ACN+2H"	43.041102
"201627"	731.47336	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+2Na-H"	44.97116
"635721"	1074.72446	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+2Na-H"	44.97116
"1141052"	388.22226	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2Na-H"	44.97116
"179971"	366.240318	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+2Na"	45.978436
"619527"	537.865868	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+2Na"	45.978436
"1121939"	194.614768	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2Na"	45.978436
"1402909"	130.078937333333	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H+2Na"	46.985712
"1434661"	390.263846	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H+HCOOH"	47.012746
"223992"	371.27334	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+3H2O+2H"	56.04448
"1511324"	404.31589	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+IsoProp+H"	61.06479
"411746"	374.227288	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+Na+K"	61.952376
"772740"	545.852838	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+Na+K"	61.952376
"1675634"	202.601738	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Na+K"	61.952376
"256686"	750.517968	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+ACN+Na"	64.015768
"1231584"	407.266868	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+ACN+Na"	64.015768
"1724486"	407.290393	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+NH4+HCOOH"	64.039293
"1189114"	137.406251333333	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+3Na"	68.967654
"1663380"	412.245788	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Na+HCOOH"	68.994688
"168056"	763.42124	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+2K-H"	76.91904
"611749"	1106.67234	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+2K-H"	76.91904
"1097596"	420.17014	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2K-H"	76.91904
"151130"	382.214258	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"2M+2K"	77.926316
"585223"	553.839808	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"3M+2K"	77.926316
"1074113"	210.588708	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2K"	77.926316
"1105134"	422.184692	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2K+H"	78.933592
"1339696"	422.272307	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+DMSO+H"	79.021207
"1019776"	426.311476	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2ACN+H"	83.060376
"1532554"	427.305108	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+IsoProp+Na+H"	84.054008
"1003745"	213.659376	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+2ACN+2H"	84.067652
"1590230"	428.219728	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+K+HCOOH"	84.968628
"1421357"	458.251238	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+H+CF3COOH"	115.000138
"1154926"	234.172651	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+3ACN+2H"	125.094202
"1707759"	475.277785	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+NH4+CF3COOH"	132.026685
"1643408"	480.23318	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+Na+CF3COOH"	136.98208
"1577965"	496.20712	"C08660"	"Atisine"	"C22H33NO2"	"343.2511"	"M+K+CF3COOH"	152.95602
"812707"	685.3574	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M"	0
"978585"	666.33901	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-H2O-H"	-19.01839
"63546"	455.897657333333	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M-3H"	-3.021828
"504563"	684.350124	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M-3H"	-3.021828
"881634"	227.445190666667	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-3H"	-3.021828
"1303"	684.350124	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M-2H"	-2.014552
"441956"	1027.028824	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M-2H"	-2.014552
"817938"	341.671424	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-2H"	-2.014552
"81210"	1369.707524	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M-H"	-1.007276
"522960"	2055.064924	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M-H"	-1.007276
"899664"	684.350124	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-H"	-1.007276
"60607"	1386.734071	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M-2H+NH4"	16.019271
"499071"	2072.091471	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M-2H+NH4"	16.019271
"876873"	701.376671	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-2H+NH4"	16.019271
"42585"	1391.689466	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M-2H+Na"	20.974666
"478864"	2077.046866	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M-2H+Na"	20.974666
"855574"	706.332066	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-2H+Na"	20.974666
"1632411"	706.332066	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Na-2H"	20.974666
"107113"	702.338463	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M-H+Cl"	33.962126
"546673"	1045.017163	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M-H+Cl"	33.962126
"940187"	359.659763	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-H+Cl"	33.962126
"278744"	1405.684202	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+Cl"	34.969402
"666790"	2091.041602	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+Cl"	34.969402
"1274088"	720.326802	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Cl"	34.969402
"17741"	1407.663406	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M-2H+K"	36.948606
"455962"	2093.020806	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M-2H+K"	36.948606
"833274"	722.306006	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-2H+K"	36.948606
"1556037"	722.306006	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+K-2H"	36.948606
"943306"	730.355594	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-H+HCOOH"	44.998194
"364328"	1415.713001	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+HCOOH-H"	44.998201
"347480"	1429.728651	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+Hac-H"	59.013851
"1501421"	744.371251	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Hac-H"	59.013851
"964589"	752.337551	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-H+NaCOOH"	66.980151
"113495"	720.326802	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+2Cl"	69.938804
"558524"	1063.005502	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+2Cl"	69.938804
"1030604"	377.648102	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2Cl"	69.938804
"1252370"	764.276285	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Br"	78.918885
"1308256"	766.332272	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Cl+HCOOH"	80.974872
"1320646"	788.314229	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Cl+NaCOOH"	102.956829
"911820"	798.342986	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M-H+CF3COOH"	112.985586
"1292422"	834.319664	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Cl+CF3COOH"	148.962264
"1372770"	650.344724	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H-2H2O"	-35.012676
"1391361"	668.3547	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H-H2O"	-17.0027
"287765"	1371.722076	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+H"	1.007276
"676906"	2057.079476	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+H"	1.007276
"1354351"	686.364676	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H"	1.007276
"131614"	686.364676	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+2H"	2.014552
"568996"	1029.043376	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+2H"	2.014552
"1039254"	343.685976	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2H"	2.014552
"204720"	457.912209333333	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+3H"	3.021828
"644763"	686.364676	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+3H"	3.021828
"1163857"	229.459742666667	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+3H"	3.021828
"425552"	1388.748623	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+NH4"	18.033823
"787280"	2074.106023	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+NH4"	18.033823
"1682149"	703.391223	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+NH4"	18.033823
"332251"	694.8779495	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+H+NH4"	19.041099
"726130"	1037.5566495	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+H+NH4"	19.041099
"1479586"	352.1992495	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H+NH4"	19.041099
"397537"	1393.704018	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+Na"	22.989218
"756348"	2079.061418	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+Na"	22.989218
"1607372"	708.346618	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Na"	22.989218
"316313"	697.355647	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+H+Na"	23.996494
"707096"	1040.034347	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+H+Na"	23.996494
"1466935"	354.676947	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H+Na"	23.996494
"1060910"	236.787056666667	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2H+Na"	25.00377
"1265137"	718.390886	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+CH3OH+H"	33.033486
"382620"	1409.677958	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+K"	38.963158
"745804"	2095.035358	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+K"	38.963158
"1552232"	724.320558	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+K"	38.963158
"307222"	705.342617	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+H+K"	39.970434
"704016"	1048.021317	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+H+K"	39.970434
"1455649"	362.663917	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H+K"	39.970434
"244253"	1412.748626	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+ACN+H"	42.033826
"1224983"	727.391226	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+ACN+H"	42.033826
"1199753"	364.199251	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+ACN+2H"	43.041102
"199915"	1415.68596	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+2Na-H"	44.97116
"633645"	2101.04336	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+2Na-H"	44.97116
"1137882"	730.32856	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2Na-H"	44.97116
"177889"	708.346618	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+2Na"	45.978436
"619636"	1051.025318	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+2Na"	45.978436
"1119863"	365.667918	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2Na"	45.978436
"1404112"	244.114370666667	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H+2Na"	46.985712
"1434404"	732.370146	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H+HCOOH"	47.012746
"223008"	713.37964	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+3H2O+2H"	56.04448
"1511797"	746.42219	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+IsoProp+H"	61.06479
"417324"	716.333588	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+Na+K"	61.952376
"773941"	1059.012288	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+Na+K"	61.952376
"1671371"	373.654888	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Na+K"	61.952376
"254972"	1434.730568	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+ACN+Na"	64.015768
"1229871"	749.373168	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+ACN+Na"	64.015768
"1725689"	749.396693	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+NH4+HCOOH"	64.039293
"1189224"	251.441684666667	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+3Na"	68.967654
"1663857"	754.352088	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Na+HCOOH"	68.994688
"170718"	1447.63384	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+2K-H"	76.91904
"611859"	2132.99124	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+2K-H"	76.91904
"1097706"	762.27644	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2K-H"	76.91904
"152333"	724.320558	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"2M+2K"	77.926316
"588613"	1066.999258	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"3M+2K"	77.926316
"1076407"	381.641858	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2K"	77.926316
"1104151"	764.290992	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2K+H"	78.933592
"1340536"	764.378607	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+DMSO+H"	79.021207
"1019886"	768.417776	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2ACN+H"	83.060376
"1535944"	769.411408	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+IsoProp+Na+H"	84.054008
"994737"	384.712526	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+2ACN+2H"	84.067652
"1593620"	770.326028	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+K+HCOOH"	84.968628
"1420374"	800.357538	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+H+CF3COOH"	115.000138
"1151755"	405.225801	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+3ACN+2H"	125.094202
"1705681"	817.384085	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+NH4+CF3COOH"	132.026685
"1643518"	822.33948	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+Na+CF3COOH"	136.98208
"1578075"	838.31342	"C08661"	"Avadharidine;Aconitane-78-diol 4-(((2-((4-amino-14-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-161416-tetramethoxy- (1alpha6beta14alpha16beta)-"	"C36H51N3O10"	"685.3574"	"M+K+CF3COOH"	152.95602
"811723"	666.3152	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M"	0
"976508"	647.29681	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-H2O-H"	-19.01839
"63655"	443.202857333333	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M-3H"	-3.021828
"503044"	665.307924	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M-3H"	-3.021828
"880653"	221.097790666667	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-3H"	-3.021828
"2870"	665.307924	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M-2H"	-2.014552
"441702"	998.465524	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M-2H"	-2.014552
"817803"	332.150324	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-2H"	-2.014552
"82412"	1331.623124	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M-H"	-1.007276
"520883"	1997.938324	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M-H"	-1.007276
"899044"	665.307924	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-H"	-1.007276
"58530"	1348.649671	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M-2H+NH4"	16.019271
"498087"	2014.964871	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M-2H+NH4"	16.019271
"874795"	682.334471	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-2H+NH4"	16.019271
"40508"	1353.605066	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M-2H+Na"	20.974666
"477880"	2019.920266	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M-2H+Na"	20.974666
"854590"	687.289866	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-2H+Na"	20.974666
"1621944"	687.289866	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Na-2H"	20.974666
"107952"	683.296263	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M-H+Cl"	33.962126
"546783"	1016.453863	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M-H+Cl"	33.962126
"940297"	350.138663	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-H+Cl"	33.962126
"281042"	1367.599802	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+Cl"	34.969402
"665807"	2033.915002	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+Cl"	34.969402
"1273347"	701.284602	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Cl"	34.969402
"17487"	1369.579006	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M-2H+K"	36.948606
"455711"	2035.894206	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M-2H+K"	36.948606
"832842"	703.263806	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-2H+K"	36.948606
"1555806"	703.263806	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+K-2H"	36.948606
"943218"	711.313394	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-H+HCOOH"	44.998194
"365166"	1377.628601	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+HCOOH-H"	44.998201
"346496"	1391.644251	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+Hac-H"	59.013851
"1501531"	725.329051	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Hac-H"	59.013851
"973286"	733.295351	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-H+NaCOOH"	66.980151
"119074"	701.284602	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+2Cl"	69.938804
"558634"	1034.442202	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+2Cl"	69.938804
"1029621"	368.127002	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2Cl"	69.938804
"1252480"	745.234085	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Br"	78.918885
"1308366"	747.290072	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Cl+HCOOH"	80.974872
"1320757"	769.272029	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Cl+NaCOOH"	102.956829
"912907"	779.300786	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M-H+CF3COOH"	112.985586
"1288530"	815.277464	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Cl+CF3COOH"	148.962264
"1373974"	631.302524	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H-2H2O"	-35.012676
"1384908"	649.3125	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H-H2O"	-17.0027
"290063"	1333.637676	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+H"	1.007276
"680298"	1999.952876	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+H"	1.007276
"1355556"	667.322476	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H"	1.007276
"128807"	667.322476	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+2H"	2.014552
"568366"	1000.480076	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+2H"	2.014552
"1040081"	334.164876	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2H"	2.014552
"207994"	445.217409333333	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+3H"	3.021828
"647552"	667.322476	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+3H"	3.021828
"1164581"	223.112342666667	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+3H"	3.021828
"426393"	1350.664223	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+NH4"	18.033823
"789578"	2016.979423	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+NH4"	18.033823
"1685909"	684.349023	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+NH4"	18.033823
"336739"	675.8357495	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+H+NH4"	19.041099
"726608"	1008.9933495	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+H+NH4"	19.041099
"1481888"	342.6781495	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H+NH4"	19.041099
"395101"	1355.619618	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+Na"	22.989218
"756458"	2021.934818	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+Na"	22.989218
"1614046"	689.304418	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Na"	22.989218
"318613"	678.313447	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+H+Na"	23.996494
"707424"	1011.471047	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+H+Na"	23.996494
"1465949"	345.155847	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H+Na"	23.996494
"1055916"	230.439656666667	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2H+Na"	25.00377
"1261966"	699.348686	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+CH3OH+H"	33.033486
"382730"	1371.593558	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+K"	38.963158
"745914"	2037.908758	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+K"	38.963158
"1549063"	705.278358	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+K"	38.963158
"305144"	686.300417	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+H+K"	39.970434
"703762"	1019.458017	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+H+K"	39.970434
"1455759"	353.142817	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H+K"	39.970434
"238892"	1374.664226	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+ACN+H"	42.033826
"1217073"	708.349026	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+ACN+H"	42.033826
"1204237"	354.678151	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+ACN+2H"	43.041102
"200025"	1377.60156	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+2Na-H"	44.97116
"634483"	2043.91676	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+2Na-H"	44.97116
"1137992"	711.28636	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2Na-H"	44.97116
"179091"	689.304418	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+2Na"	45.978436
"616099"	1022.462018	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+2Na"	45.978436
"1119973"	356.146818	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2Na"	45.978436
"1403494"	237.766970666667	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H+2Na"	46.985712
"1434151"	713.327946	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H+HCOOH"	47.012746
"224211"	694.33744	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+3H2O+2H"	56.04448
"1512272"	727.37999	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+IsoProp+H"	61.06479
"415248"	697.291388	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+Na+K"	61.952376
"773686"	1030.448988	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+Na+K"	61.952376
"1670388"	364.133788	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Na+K"	61.952376
"254717"	1396.646168	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+ACN+Na"	64.015768
"1232897"	730.330968	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+ACN+Na"	64.015768
"1722881"	730.354493	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+NH4+HCOOH"	64.039293
"1191884"	245.094284666667	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+3Na"	68.967654
"1663233"	735.309888	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Na+HCOOH"	68.994688
"171191"	1409.54944	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+2K-H"	76.91904
"612090"	2075.86464	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+2K-H"	76.91904
"1097815"	743.23424	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2K-H"	76.91904
"156334"	705.278358	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"2M+2K"	77.926316
"593095"	1038.435958	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"3M+2K"	77.926316
"1073237"	372.120758	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2K"	77.926316
"1104260"	745.248792	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2K+H"	78.933592
"1340646"	745.336407	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+DMSO+H"	79.021207
"1019024"	749.375576	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2ACN+H"	83.060376
"1530587"	750.369208	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+IsoProp+Na+H"	84.054008
"992658"	375.191426	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+2ACN+2H"	84.067652
"1601022"	751.283828	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+K+HCOOH"	84.968628
"1418297"	781.315338	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+H+CF3COOH"	115.000138
"1155146"	395.704701	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+3ACN+2H"	125.094202
"1699231"	798.341885	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+NH4+CF3COOH"	132.026685
"1646910"	803.29728	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+Na+CF3COOH"	136.98208
"1578186"	819.27122	"C08662"	"Barbinine;Aconitan-14-one 78-dihydroxy-20-ethyl-4-(((2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1616-trimethoxy- (1-alpha4(S)6-beta16-beta)-"	"C36H46N2O10"	"666.3152"	"M+K+CF3COOH"	152.95602
"808553"	647.2942	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M"	0
"975521"	628.27581	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-H2O-H"	-19.01839
"63886"	430.522190666667	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M-3H"	-3.021828
"503006"	646.286924	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M-3H"	-3.021828
"880884"	214.757457333333	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-3H"	-3.021828
"1158"	646.286924	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M-2H"	-2.014552
"441446"	969.934024	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M-2H"	-2.014552
"818882"	322.639824	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-2H"	-2.014552
"81429"	1293.581124	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M-H"	-1.007276
"522085"	1940.875324	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M-H"	-1.007276
"899517"	646.286924	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-H"	-1.007276
"52080"	1310.607671	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M-2H+NH4"	16.019271
"494917"	1957.901871	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M-2H+NH4"	16.019271
"871624"	663.313471	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-2H+NH4"	16.019271
"38429"	1315.563066	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M-2H+Na"	20.974666
"477989"	1962.857266	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M-2H+Na"	20.974666
"853969"	668.268866	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-2H+Na"	20.974666
"1618774"	668.268866	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Na-2H"	20.974666
"95302"	664.275263	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M-H+Cl"	33.962126
"534266"	987.922363	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M-H+Cl"	33.962126
"927639"	340.628163	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-H+Cl"	33.962126
"273495"	1329.557802	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+Cl"	34.969402
"661175"	1976.852002	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+Cl"	34.969402
"1273695"	682.263602	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Cl"	34.969402
"17597"	1331.537006	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M-2H+K"	36.948606
"455756"	1978.831206	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M-2H+K"	36.948606
"832934"	684.242806	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-2H+K"	36.948606
"1555619"	684.242806	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+K-2H"	36.948606
"943288"	692.292394	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-H+HCOOH"	44.998194
"363819"	1339.586601	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+HCOOH-H"	44.998201
"346364"	1353.602251	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+Hac-H"	59.013851
"1501641"	706.308051	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Hac-H"	59.013851
"971371"	714.274351	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-H+NaCOOH"	66.980151
"119184"	682.263602	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+2Cl"	69.938804
"557651"	1005.910702	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+2Cl"	69.938804
"1029731"	358.616502	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2Cl"	69.938804
"1252590"	726.213085	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Br"	78.918885
"1310662"	728.269072	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Cl+HCOOH"	80.974872
"1321596"	750.251029	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Cl+NaCOOH"	102.956829
"912410"	760.279786	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M-H+CF3COOH"	112.985586
"1289358"	796.256464	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Cl+CF3COOH"	148.962264
"1376271"	612.281524	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H-2H2O"	-35.012676
"1391580"	630.2915	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H-H2O"	-17.0027
"289080"	1295.595676	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+H"	1.007276
"680408"	1942.889876	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+H"	1.007276
"1358947"	648.301476	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H"	1.007276
"128554"	648.301476	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+2H"	2.014552
"568846"	971.948576	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+2H"	2.014552
"1039101"	324.654376	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2H"	2.014552
"209197"	432.536742666667	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+3H"	3.021828
"647662"	648.301476	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+3H"	3.021828
"1164691"	216.772009333333	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+3H"	3.021828
"427598"	1312.622223	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+NH4"	18.033823
"788594"	1959.916423	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+NH4"	18.033823
"1687478"	665.328023	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+NH4"	18.033823
"336849"	656.8147495	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+H+NH4"	19.041099
"726719"	980.4618495	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+H+NH4"	19.041099
"1481998"	333.1676495	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H+NH4"	19.041099
"397397"	1317.577618	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+Na"	22.989218
"755234"	1964.871818	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+Na"	22.989218
"1613792"	670.283418	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Na"	22.989218
"319816"	659.292447	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+H+Na"	23.996494
"707655"	982.939547	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+H+Na"	23.996494
"1468245"	335.645347	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H+Na"	23.996494
"1060399"	224.099323333333	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2H+Na"	25.00377
"1264263"	680.327686	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+CH3OH+H"	33.033486
"383932"	1333.551558	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+K"	38.963158
"744930"	1980.845758	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+K"	38.963158
"1548079"	686.257358	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+K"	38.963158
"304162"	667.279417	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+H+K"	39.970434
"703143"	990.926517	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+H+K"	39.970434
"1452589"	343.632317	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H+K"	39.970434
"240095"	1336.622226	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+ACN+H"	42.033826
"1217183"	689.328026	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+ACN+H"	42.033826
"1204347"	345.167651	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+ACN+2H"	43.041102
"198312"	1339.55956	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+2Na-H"	44.97116
"634958"	1986.85376	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+2Na-H"	44.97116
"1135916"	692.26536	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2Na-H"	44.97116
"179201"	670.283418	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+2Na"	45.978436
"618761"	993.930518	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+2Na"	45.978436
"1118990"	346.636318	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2Na"	45.978436
"1401053"	231.426637333333	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H+2Na"	46.985712
"1433531"	694.306946	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H+HCOOH"	47.012746
"223228"	675.31644	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+3H2O+2H"	56.04448
"1512017"	708.35899	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+IsoProp+H"	61.06479
"415358"	678.270388	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+Na+K"	61.952376
"773798"	1001.917488	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+Na+K"	61.952376
"1669405"	354.623288	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Na+K"	61.952376
"253735"	1358.604168	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+ACN+Na"	64.015768
"1229728"	711.309968	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+ACN+Na"	64.015768
"1721898"	711.333493	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+NH4+HCOOH"	64.039293
"1191629"	238.753951333333	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+3Na"	68.967654
"1661521"	716.288888	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Na+HCOOH"	68.994688
"172031"	1371.50744	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+2K-H"	76.91904
"609767"	2018.80164	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+2K-H"	76.91904
"1097196"	724.21324	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2K-H"	76.91904
"154739"	686.257358	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"2M+2K"	77.926316
"592110"	1009.904458	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"3M+2K"	77.926316
"1073344"	362.610258	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2K"	77.926316
"1103277"	726.227792	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2K+H"	78.933592
"1340756"	726.315407	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+DMSO+H"	79.021207
"1018041"	730.354576	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2ACN+H"	83.060376
"1529604"	731.348208	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+IsoProp+Na+H"	84.054008
"991310"	365.680926	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+2ACN+2H"	84.067652
"1599309"	732.262828	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+K+HCOOH"	84.968628
"1418407"	762.294338	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+H+CF3COOH"	115.000138
"1156351"	386.194201	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+3ACN+2H"	125.094202
"1706996"	779.320885	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+NH4+CF3COOH"	132.026685
"1648114"	784.27628	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+Na+CF3COOH"	136.98208
"1578296"	800.25022	"C08663"	"Beiwutine"	"C33H45NO12"	"647.2942"	"M+K+CF3COOH"	152.95602
"808663"	673.3462	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M"	0
"975632"	654.32781	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-H2O-H"	-19.01839
"63874"	447.890190666667	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M-3H"	-3.021828
"502996"	672.338924	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M-3H"	-3.021828
"881601"	223.441457333333	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-3H"	-3.021828
"1996"	672.338924	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M-2H"	-2.014552
"442284"	1009.012024	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M-2H"	-2.014552
"818628"	335.665824	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-2H"	-2.014552
"82633"	1345.685124	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M-H"	-1.007276
"522195"	2019.031324	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M-H"	-1.007276
"899263"	672.338924	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-H"	-1.007276
"53283"	1362.711671	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M-2H+NH4"	16.019271
"492840"	2036.057871	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M-2H+NH4"	16.019271
"871734"	689.365471	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-2H+NH4"	16.019271
"38540"	1367.667066	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M-2H+Na"	20.974666
"479193"	2041.013266	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M-2H+Na"	20.974666
"854808"	694.320866	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-2H+Na"	20.974666
"1620341"	694.320866	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Na-2H"	20.974666
"95775"	690.327263	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M-H+Cl"	33.962126
"534723"	1027.000363	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M-H+Cl"	33.962126
"929573"	353.654163	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-H+Cl"	33.962126
"273605"	1381.661802	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+Cl"	34.969402
"661771"	2055.008002	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+Cl"	34.969402
"1273807"	708.315602	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Cl"	34.969402
"17707"	1383.641006	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M-2H+K"	36.948606
"456406"	2056.987206	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M-2H+K"	36.948606
"833967"	710.294806	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-2H+K"	36.948606
"1556244"	710.294806	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+K-2H"	36.948606
"944614"	718.344394	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-H+HCOOH"	44.998194
"362106"	1391.690601	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+HCOOH-H"	44.998201
"347809"	1405.706251	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+Hac-H"	59.013851
"1501751"	732.360051	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Hac-H"	59.013851
"961270"	740.326351	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-H+NaCOOH"	66.980151
"120387"	708.315602	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+2Cl"	69.938804
"557761"	1044.988702	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+2Cl"	69.938804
"1029841"	371.642502	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2Cl"	69.938804
"1252700"	752.265085	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Br"	78.918885
"1310772"	754.321072	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Cl+HCOOH"	80.974872
"1320613"	776.303029	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Cl+NaCOOH"	102.956829
"914951"	786.331786	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M-H+CF3COOH"	112.985586
"1291659"	822.308464	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Cl+CF3COOH"	148.962264
"1376381"	638.333524	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H-2H2O"	-35.012676
"1390598"	656.3435	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H-H2O"	-17.0027
"289190"	1347.699676	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+H"	1.007276
"682708"	2021.045876	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+H"	1.007276
"1359059"	674.353476	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H"	1.007276
"137415"	674.353476	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+2H"	2.014552
"569320"	1011.026576	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+2H"	2.014552
"1037391"	337.680376	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2H"	2.014552
"206753"	449.904742666667	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+3H"	3.021828
"645947"	674.353476	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+3H"	3.021828
"1163217"	225.456009333333	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+3H"	3.021828
"424786"	1364.726223	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+NH4"	18.033823
"786272"	2038.072423	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+NH4"	18.033823
"1683941"	691.380023	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+NH4"	18.033823
"331855"	682.8667495	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+H+NH4"	19.041099
"723905"	1019.5398495	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+H+NH4"	19.041099
"1477850"	346.1936495	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H+NH4"	19.041099
"393128"	1369.681618	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+Na"	22.989218
"755344"	2043.027818	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+Na"	22.989218
"1612078"	696.335418	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Na"	22.989218
"319926"	685.344447	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+H+Na"	23.996494
"707207"	1022.017547	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+H+Na"	23.996494
"1467261"	348.671347	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H+Na"	23.996494
"1056864"	232.783323333333	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2H+Na"	25.00377
"1261093"	706.379686	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+CH3OH+H"	33.033486
"384042"	1385.655558	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+K"	38.963158
"743947"	2059.001758	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+K"	38.963158
"1549283"	712.309358	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+K"	38.963158
"303178"	693.331417	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+H+K"	39.970434
"701066"	1030.004517	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+H+K"	39.970434
"1452699"	356.658317	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H+K"	39.970434
"241298"	1388.726226	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+ACN+H"	42.033826
"1217293"	715.380026	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+ACN+H"	42.033826
"1202269"	358.193651	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+ACN+2H"	43.041102
"195142"	1391.66356	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+2Na-H"	44.97116
"631422"	2065.00976	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+2Na-H"	44.97116
"1136026"	718.31736	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2Na-H"	44.97116
"177125"	696.335418	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+2Na"	45.978436
"616685"	1033.008518	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+2Na"	45.978436
"1118366"	359.662318	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2Na"	45.978436
"1400799"	240.110637333333	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H+2Na"	46.985712
"1433277"	720.358946	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H+HCOOH"	47.012746
"222244"	701.36844	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+3H2O+2H"	56.04448
"1509942"	734.41099	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+IsoProp+H"	61.06479
"417655"	704.322388	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+Na+K"	61.952376
"771723"	1040.995488	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+Na+K"	61.952376
"1667322"	367.649288	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Na+K"	61.952376
"252751"	1410.708168	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+ACN+Na"	64.015768
"1228744"	737.361968	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+ACN+Na"	64.015768
"1719821"	737.385493	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+NH4+HCOOH"	64.039293
"1188458"	247.437951333333	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+3Na"	68.967654
"1657256"	742.340888	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Na+HCOOH"	68.994688
"163027"	1423.61144	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+2K-H"	76.91904
"604774"	2096.95764	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+2K-H"	76.91904
"1093659"	750.26524	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2K-H"	76.91904
"148288"	712.309358	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"2M+2K"	77.926316
"587847"	1048.982458	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"3M+2K"	77.926316
"1071266"	375.636258	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2K"	77.926316
"1104480"	752.279792	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2K+H"	78.933592
"1340866"	752.367407	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+DMSO+H"	79.021207
"1019244"	756.406576	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2ACN+H"	83.060376
"1526434"	757.400208	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+IsoProp+Na+H"	84.054008
"991784"	378.706926	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+2ACN+2H"	84.067652
"1599419"	758.314828	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+K+HCOOH"	84.968628
"1418517"	788.346338	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+H+CF3COOH"	115.000138
"1157554"	399.220201	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+3ACN+2H"	125.094202
"1707106"	805.372885	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+NH4+CF3COOH"	132.026685
"1648224"	810.32828	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+Na+CF3COOH"	136.98208
"1578406"	826.30222	"C08664"	"Bikhaconitine"	"C36H51NO11"	"673.3462"	"M+K+CF3COOH"	152.95602
"812053"	467.2883	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M"	0
"975743"	448.26991	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-H2O-H"	-19.01839
"65077"	310.518257333333	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M-3H"	-3.021828
"504273"	466.281024	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M-3H"	-3.021828
"880371"	154.755490666667	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-3H"	-3.021828
"1133"	466.281024	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M-2H"	-2.014552
"442759"	699.925174	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M-2H"	-2.014552
"819102"	232.636874	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-2H"	-2.014552
"82011"	933.569324	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M-H"	-1.007276
"520846"	1400.857624	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M-H"	-1.007276
"899008"	466.281024	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-H"	-1.007276
"56671"	950.595871	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M-2H+NH4"	16.019271
"492950"	1417.884171	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M-2H+NH4"	16.019271
"877312"	483.307571	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-2H+NH4"	16.019271
"36463"	955.551266	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M-2H+Na"	20.974666
"478210"	1422.839566	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M-2H+Na"	20.974666
"856013"	488.262966	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-2H+Na"	20.974666
"1621544"	488.262966	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Na-2H"	20.974666
"95881"	484.269363	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M-H+Cl"	33.962126
"535808"	717.913513	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M-H+Cl"	33.962126
"930048"	250.625213	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-H+Cl"	33.962126
"268974"	969.546002	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+Cl"	34.969402
"661877"	1436.834302	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+Cl"	34.969402
"1275986"	502.257702	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Cl"	34.969402
"17083"	971.525206	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M-2H+K"	36.948606
"457249"	1438.813506	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M-2H+K"	36.948606
"835177"	504.236906	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-2H+K"	36.948606
"1556836"	504.236906	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+K-2H"	36.948606
"943996"	512.286494	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-H+HCOOH"	44.998194
"364037"	979.574801	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+HCOOH-H"	44.998201
"350106"	993.590451	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+Hac-H"	59.013851
"1499674"	526.302151	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Hac-H"	59.013851
"961379"	534.268451	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-H+NaCOOH"	66.980151
"120497"	502.257702	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+2Cl"	69.938804
"557871"	735.901852	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+2Cl"	69.938804
"1029951"	268.613552	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2Cl"	69.938804
"1251717"	546.207185	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Br"	78.918885
"1310882"	548.263172	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Cl+HCOOH"	80.974872
"1325097"	570.245129	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Cl+NaCOOH"	102.956829
"912871"	580.273886	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M-H+CF3COOH"	112.985586
"1291405"	616.250564	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Cl+CF3COOH"	148.962264
"1369930"	432.275624	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H-2H2O"	-35.012676
"1387429"	450.2856	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H-H2O"	-17.0027
"289300"	935.583876	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+H"	1.007276
"686097"	1402.872176	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+H"	1.007276
"1361356"	468.295576	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H"	1.007276
"139711"	468.295576	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+2H"	2.014552
"568701"	701.939726	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+2H"	2.014552
"1038229"	234.651426	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2H"	2.014552
"206134"	312.532809333333	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+3H"	3.021828
"645328"	468.295576	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+3H"	3.021828
"1164181"	156.770042666667	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+3H"	3.021828
"426359"	952.610423	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+NH4"	18.033823
"786626"	1419.898723	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+NH4"	18.033823
"1685146"	485.322123	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+NH4"	18.033823
"330547"	476.8088495	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+H+NH4"	19.041099
"723290"	710.4529995	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+H+NH4"	19.041099
"1478937"	243.1646995	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H+NH4"	19.041099
"394701"	957.565818	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+Na"	22.989218
"757520"	1424.854118	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+Na"	22.989218
"1603797"	490.277518	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Na"	22.989218
"314558"	479.286547	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+H+Na"	23.996494
"707584"	712.930697	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+H+Na"	23.996494
"1464092"	245.642397	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H+Na"	23.996494
"1058431"	164.097356666667	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2H+Na"	25.00377
"1260107"	500.321786	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+CH3OH+H"	33.033486
"380142"	973.539758	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+K"	38.963158
"742963"	1440.828058	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+K"	38.963158
"1548300"	506.251458	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+K"	38.963158
"305474"	487.273517	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+H+K"	39.970434
"700082"	720.917667	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+H+K"	39.970434
"1451714"	253.629367	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H+K"	39.970434
"243594"	976.610426	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+ACN+H"	42.033826
"1216310"	509.322126	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+ACN+H"	42.033826
"1201285"	255.164701	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+ACN+2H"	43.041102
"195251"	979.54776	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+2Na-H"	44.97116
"632625"	1446.83606	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+2Na-H"	44.97116
"1137228"	512.25946	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2Na-H"	44.97116
"178692"	490.277518	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+2Na"	45.978436
"617523"	723.921668	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+2Na"	45.978436
"1121026"	256.633368	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2Na"	45.978436
"1402365"	171.424670666667	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H+2Na"	46.985712
"1434117"	514.301046	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H+HCOOH"	47.012746
"224176"	495.31054	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+3H2O+2H"	56.04448
"1511143"	528.35309	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+IsoProp+H"	61.06479
"417765"	498.264488	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+Na+K"	61.952376
"772197"	731.908638	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+Na+K"	61.952376
"1668523"	264.620338	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Na+K"	61.952376
"252616"	998.592368	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+ACN+Na"	64.015768
"1227395"	531.304068	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+ACN+Na"	64.015768
"1721024"	531.327593	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+NH4+HCOOH"	64.039293
"1185288"	178.751984666667	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+3Na"	68.967654
"1657365"	536.282988	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Na+HCOOH"	68.994688
"162044"	1011.49564	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+2K-H"	76.91904
"601603"	1478.78394	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+2K-H"	76.91904
"1090490"	544.20734	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2K-H"	76.91904
"146213"	506.251458	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"2M+2K"	77.926316
"589051"	739.895608	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"3M+2K"	77.926316
"1072470"	272.607308	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2K"	77.926316
"1110059"	546.221892	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2K+H"	78.933592
"1343163"	546.309507	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+DMSO+H"	79.021207
"1017161"	550.348676	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2ACN+H"	83.060376
"1526544"	551.342308	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+IsoProp+Na+H"	84.054008
"990922"	275.677976	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+2ACN+2H"	84.067652
"1587610"	552.256928	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+K+HCOOH"	84.968628
"1418626"	582.288438	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+H+CF3COOH"	115.000138
"1157664"	296.191251	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+3ACN+2H"	125.094202
"1706123"	599.314985	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+NH4+CF3COOH"	132.026685
"1648334"	604.27038	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+Na+CF3COOH"	136.98208
"1578516"	620.24432	"C08665"	"Browniine;Aconitane-7814-triol 20-ethyl-4-(methoxymethyl)-1616-trimethoxy- (1-alpha6-beta14-alpha16-beta)-"	"C25H41NO7"	"467.2883"	"M+K+CF3COOH"	152.95602
"811070"	407.2672	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M"	0
"976217"	388.24881	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-H2O-H"	-19.01839
"64823"	270.504190666667	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M-3H"	-3.021828
"503773"	406.259924	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M-3H"	-3.021828
"881335"	134.748457333333	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-3H"	-3.021828
"1365"	406.259924	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M-2H"	-2.014552
"442869"	609.893524	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M-2H"	-2.014552
"817755"	202.626324	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-2H"	-2.014552
"82849"	813.527124	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M-H"	-1.007276
"519254"	1220.794324	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M-H"	-1.007276
"897297"	406.259924	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-H"	-1.007276
"55688"	830.553671	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M-2H+NH4"	16.019271
"495247"	1237.820871	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M-2H+NH4"	16.019271
"877422"	423.286471	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-2H+NH4"	16.019271
"35479"	835.509066	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M-2H+Na"	20.974666
"476133"	1242.776266	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M-2H+Na"	20.974666
"852843"	428.241866	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-2H+Na"	20.974666
"1621284"	428.241866	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Na-2H"	20.974666
"99273"	424.248263	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M-H+Cl"	33.962126
"538104"	627.881863	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M-H+Cl"	33.962126
"927484"	220.614663	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-H+Cl"	33.962126
"267746"	849.503802	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+Cl"	34.969402
"661014"	1256.771002	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+Cl"	34.969402
"1274276"	442.236602	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Cl"	34.969402
"16221"	851.483006	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M-2H+K"	36.948606
"456870"	1258.750206	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M-2H+K"	36.948606
"833218"	444.215806	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-2H+K"	36.948606
"1555893"	444.215806	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+K-2H"	36.948606
"944106"	452.265394	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-H+HCOOH"	44.998194
"364147"	859.532601	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+HCOOH-H"	44.998201
"348030"	873.548251	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+Hac-H"	59.013851
"1498324"	466.281051	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Hac-H"	59.013851
"961854"	474.247351	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-H+NaCOOH"	66.980151
"120607"	442.236602	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+2Cl"	69.938804
"554699"	645.870202	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+2Cl"	69.938804
"1023130"	238.603002	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2Cl"	69.938804
"1246358"	486.186085	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Br"	78.918885
"1306619"	488.242072	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Cl+HCOOH"	80.974872
"1321926"	510.224029	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Cl+NaCOOH"	102.956829
"911767"	520.252786	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M-H+CF3COOH"	112.985586
"1291880"	556.229464	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Cl+CF3COOH"	148.962264
"1371135"	372.254524	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H-2H2O"	-35.012676
"1389727"	390.2645	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H-H2O"	-17.0027
"291598"	815.541676	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+H"	1.007276
"682928"	1222.808876	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+H"	1.007276
"1360373"	408.274476	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H"	1.007276
"138367"	408.274476	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+2H"	2.014552
"569540"	611.908076	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+2H"	2.014552
"1037732"	204.640876	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2H"	2.014552
"205515"	272.518742666667	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+3H"	3.021828
"645074"	408.274476	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+3H"	3.021828
"1163926"	136.763009333333	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+3H"	3.021828
"426469"	832.568223	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+NH4"	18.033823
"786008"	1239.835423	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+NH4"	18.033823
"1684528"	425.301023	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+NH4"	18.033823
"330617"	416.7877495	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+H+NH4"	19.041099
"727414"	620.4213495	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+H+NH4"	19.041099
"1480142"	213.1541495	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H+NH4"	19.041099
"394568"	837.523618	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+Na"	22.989218
"757630"	1244.790818	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+Na"	22.989218
"1603299"	430.256418	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Na"	22.989218
"314585"	419.265447	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+H+Na"	23.996494
"707181"	622.899047	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+H+Na"	23.996494
"1464200"	215.631847	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H+Na"	23.996494
"1059634"	144.090323333333	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2H+Na"	25.00377
"1261310"	440.300686	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+CH3OH+H"	33.033486
"380981"	853.497558	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+K"	38.963158
"741979"	1260.764758	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+K"	38.963158
"1548409"	446.230358	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+K"	38.963158
"305584"	427.252417	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+H+K"	39.970434
"701285"	630.886017	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+H+K"	39.970434
"1448179"	223.618817	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H+K"	39.970434
"241518"	856.568226	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+ACN+H"	42.033826
"1217513"	449.301026	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+ACN+H"	42.033826
"1201395"	225.154151	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+ACN+2H"	43.041102
"192080"	859.50556	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+2Na-H"	44.97116
"631642"	1266.77276	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+2Na-H"	44.97116
"1137338"	452.23836	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2Na-H"	44.97116
"176617"	430.256418	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+2Na"	45.978436
"617269"	633.890018	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+2Na"	45.978436
"1118221"	226.622818	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2Na"	45.978436
"1401018"	151.417637333333	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H+2Na"	46.985712
"1431676"	454.279946	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H+HCOOH"	47.012746
"222464"	435.28944	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+3H2O+2H"	56.04448
"1511617"	468.33199	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+IsoProp+H"	61.06479
"417875"	438.243388	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+Na+K"	61.952376
"771215"	641.876988	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+Na+K"	61.952376
"1667542"	234.609788	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Na+K"	61.952376
"252481"	878.550168	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+ACN+Na"	64.015768
"1227505"	471.282968	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+ACN+Na"	64.015768
"1722227"	471.306493	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+NH4+HCOOH"	64.039293
"1187583"	158.744951333333	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+3Na"	68.967654
"1658568"	476.261888	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Na+HCOOH"	68.994688
"161060"	891.45344	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+2K-H"	76.91904
"606087"	1298.72064	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+2K-H"	76.91904
"1090599"	484.18624	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2K-H"	76.91904
"146321"	446.230358	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"2M+2K"	77.926316
"586974"	649.863958	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"3M+2K"	77.926316
"1072580"	242.596758	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2K"	77.926316
"1102510"	486.200792	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2K+H"	78.933592
"1343273"	486.288407	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+DMSO+H"	79.021207
"1017271"	490.327576	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2ACN+H"	83.060376
"1526654"	491.321208	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+IsoProp+Na+H"	84.054008
"993100"	245.667426	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+2ACN+2H"	84.067652
"1587966"	492.235828	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+K+HCOOH"	84.968628
"1418736"	522.267338	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+H+CF3COOH"	115.000138
"1156683"	266.180701	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+3ACN+2H"	125.094202
"1709515"	539.293885	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+NH4+CF3COOH"	132.026685
"1648444"	544.24928	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+Na+CF3COOH"	136.98208
"1578626"	560.22322	"C08666"	"Cammaconine;Columbiananine"	"C23H37NO5"	"407.2672"	"M+K+CF3COOH"	152.95602
"811180"	363.241	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M"	0
"974991"	344.22261	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-H2O-H"	-19.01839
"64205"	241.153390666667	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M-3H"	-3.021828
"503885"	362.233724	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M-3H"	-3.021828
"880227"	120.073057333333	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-3H"	-3.021828
"81"	362.233724	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M-2H"	-2.014552
"440914"	543.854224	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M-2H"	-2.014552
"818231"	180.613224	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-2H"	-2.014552
"84050"	725.474724	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M-H"	-1.007276
"522518"	1088.715724	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M-H"	-1.007276
"897407"	362.233724	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-H"	-1.007276
"53612"	742.501271	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M-2H+NH4"	16.019271
"495357"	1105.742271	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M-2H+NH4"	16.019271
"869878"	379.260271	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-2H+NH4"	16.019271
"34498"	747.456666	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M-2H+Na"	20.974666
"478432"	1110.697666	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M-2H+Na"	20.974666
"855141"	384.215666	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-2H+Na"	20.974666
"1622488"	384.215666	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Na-2H"	20.974666
"97926"	380.222063	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M-H+Cl"	33.962126
"536758"	561.842563	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M-H+Cl"	33.962126
"927388"	198.601563	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-H+Cl"	33.962126
"267329"	761.451402	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+Cl"	34.969402
"660192"	1124.692402	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+Cl"	34.969402
"1276574"	398.210402	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Cl"	34.969402
"16577"	763.430606	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M-2H+K"	36.948606
"456379"	1126.671606	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M-2H+K"	36.948606
"832918"	400.189606	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-2H+K"	36.948606
"1555799"	400.189606	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+K-2H"	36.948606
"942891"	408.239194	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-H+HCOOH"	44.998194
"363164"	771.480201	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+HCOOH-H"	44.998201
"348141"	785.495851	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+Hac-H"	59.013851
"1495883"	422.254851	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Hac-H"	59.013851
"960507"	430.221151	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-H+NaCOOH"	66.980151
"120717"	398.210402	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+2Cl"	69.938804
"554809"	579.830902	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+2Cl"	69.938804
"1021784"	216.589902	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2Cl"	69.938804
"1245739"	442.159885	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Br"	78.918885
"1309281"	444.215872	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Cl+HCOOH"	80.974872
"1322036"	466.197829	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Cl+NaCOOH"	102.956829
"911635"	476.226586	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M-H+CF3COOH"	112.985586
"1291263"	512.203264	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Cl+CF3COOH"	148.962264
"1376715"	328.228324	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H-2H2O"	-35.012676
"1394212"	346.2383	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H-H2O"	-17.0027
"288793"	727.489276	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+H"	1.007276
"688142"	1090.730276	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+H"	1.007276
"1359391"	364.248276	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H"	1.007276
"129000"	364.248276	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+2H"	2.014552
"566734"	545.868776	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+2H"	2.014552
"1038208"	182.627776	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2H"	2.014552
"207446"	243.167942666667	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+3H"	3.021828
"645185"	364.248276	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+3H"	3.021828
"1164765"	122.087609333333	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+3H"	3.021828
"428403"	744.515823	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+NH4"	18.033823
"787941"	1107.756823	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+NH4"	18.033823
"1685731"	381.274823	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+NH4"	18.033823
"331822"	372.7615495	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+H+NH4"	19.041099
"726432"	554.3820495	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+H+NH4"	19.041099
"1484626"	191.1410495	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H+NH4"	19.041099
"401119"	749.471218	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+Na"	22.989218
"763208"	1112.712218	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+Na"	22.989218
"1605838"	386.230218	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Na"	22.989218
"314317"	375.239247	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+H+Na"	23.996494
"707122"	556.859747	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+H+Na"	23.996494
"1463216"	193.618747	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H+Na"	23.996494
"1057557"	129.414923333333	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2H+Na"	25.00377
"1261420"	396.274486	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+CH3OH+H"	33.033486
"384370"	765.445158	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+K"	38.963158
"742086"	1128.686158	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+K"	38.963158
"1544145"	402.204158	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+K"	38.963158
"303507"	383.226217	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+H+K"	39.970434
"697022"	564.846717	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+H+K"	39.970434
"1450111"	201.605717	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H+K"	39.970434
"243814"	768.515826	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+ACN+H"	42.033826
"1217618"	405.274826	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+ACN+H"	42.033826
"1201505"	203.141051	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+ACN+2H"	43.041102
"194378"	771.45316	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+2Na-H"	44.97116
"631753"	1134.69416	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+2Na-H"	44.97116
"1134169"	408.21216	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2Na-H"	44.97116
"175996"	386.230218	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+2Na"	45.978436
"617379"	567.850718	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+2Na"	45.978436
"1119061"	204.609718	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2Na"	45.978436
"1400036"	136.742237333333	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H+2Na"	46.985712
"1431420"	410.253746	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H+HCOOH"	47.012746
"221844"	391.26324	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+3H2O+2H"	56.04448
"1509542"	424.30579	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+IsoProp+H"	61.06479
"409592"	394.217188	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+Na+K"	61.952376
"770959"	575.837688	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+Na+K"	61.952376
"1666195"	212.596688	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Na+K"	61.952376
"252107"	790.497768	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+ACN+Na"	64.015768
"1226158"	427.256768	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+ACN+Na"	64.015768
"1722337"	427.280293	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+NH4+HCOOH"	64.039293
"1185507"	144.069551333333	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+3Na"	68.967654
"1656492"	432.235688	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Na+HCOOH"	68.994688
"161169"	803.40104	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+2K-H"	76.91904
"604010"	1166.64204	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+2K-H"	76.91904
"1090708"	440.16004	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2K-H"	76.91904
"145336"	402.204158	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"2M+2K"	77.926316
"585262"	583.824658	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"3M+2K"	77.926316
"1071596"	220.583658	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2K"	77.926316
"1102253"	442.174592	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2K+H"	78.933592
"1343383"	442.262207	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+DMSO+H"	79.021207
"1018474"	446.301376	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2ACN+H"	83.060376
"1538544"	447.295008	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+IsoProp+Na+H"	84.054008
"994303"	223.654326	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+2ACN+2H"	84.067652
"1587710"	448.209628	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+K+HCOOH"	84.968628
"1421029"	478.241138	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+H+CF3COOH"	115.000138
"1159708"	244.167601	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+3ACN+2H"	125.094202
"1709625"	495.267685	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+NH4+CF3COOH"	132.026685
"1648554"	500.22308	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+Na+CF3COOH"	136.98208
"1578736"	516.19702	"C08667"	"Cardiopetalidine"	"C21H33NO4"	"363.241"	"M+K+CF3COOH"	152.95602
"811290"	700.3571	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M"	0
"976074"	681.33871	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-H2O-H"	-19.01839
"68689"	465.897457333333	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M-3H"	-3.021828
"508248"	699.349824	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M-3H"	-3.021828
"882767"	232.445090666667	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-3H"	-3.021828
"2073"	699.349824	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M-2H"	-2.014552
"443094"	1049.528374	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M-2H"	-2.014552
"819072"	349.171274	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-2H"	-2.014552
"81251"	1399.706924	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M-H"	-1.007276
"522636"	2100.064024	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M-H"	-1.007276
"898976"	699.349824	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-H"	-1.007276
"55909"	1416.733471	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M-2H+NH4"	16.019271
"497657"	2117.090571	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M-2H+NH4"	16.019271
"876551"	716.376371	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-2H+NH4"	16.019271
"44089"	1421.688866	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M-2H+Na"	20.974666
"486446"	2122.045966	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M-2H+Na"	20.974666
"856345"	721.331766	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-2H+Na"	20.974666
"1623692"	721.331766	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Na-2H"	20.974666
"96943"	717.338163	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M-H+Cl"	33.962126
"536504"	1067.516713	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M-H+Cl"	33.962126
"928557"	367.159613	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-H+Cl"	33.962126
"267641"	1435.683602	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+Cl"	34.969402
"660018"	2136.040702	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+Cl"	34.969402
"1272764"	735.326502	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Cl"	34.969402
"20334"	1437.662806	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M-2H+K"	36.948606
"456977"	2138.019906	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M-2H+K"	36.948606
"834415"	737.305706	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-2H+K"	36.948606
"1557539"	737.305706	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+K-2H"	36.948606
"943071"	745.355294	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-H+HCOOH"	44.998194
"364003"	1445.712401	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+HCOOH-H"	44.998201
"352262"	1459.728051	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+Hac-H"	59.013851
"1495993"	759.370951	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Hac-H"	59.013851
"960617"	767.337251	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-H+NaCOOH"	66.980151
"120827"	735.326502	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+2Cl"	69.938804
"553826"	1085.505052	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+2Cl"	69.938804
"1030281"	385.147952	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2Cl"	69.938804
"1253141"	779.275985	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Br"	78.918885
"1311215"	781.331972	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Cl+HCOOH"	80.974872
"1325795"	803.313929	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Cl+NaCOOH"	102.956829
"912843"	813.342686	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M-H+CF3COOH"	112.985586
"1300123"	849.319364	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Cl+CF3COOH"	148.962264
"1378649"	665.344424	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H-2H2O"	-35.012676
"1392866"	683.3544	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H-H2O"	-17.0027
"286721"	1401.721476	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+H"	1.007276
"682059"	2102.078576	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+H"	1.007276
"1356222"	701.364376	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H"	1.007276
"135671"	701.364376	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+2H"	2.014552
"566848"	1051.542926	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+2H"	2.014552
"1038928"	351.185826	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2H"	2.014552
"209745"	467.912009333333	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+3H"	3.021828
"647484"	701.364376	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+3H"	3.021828
"1165608"	234.459642666667	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+3H"	3.021828
"425598"	1418.748023	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+NH4"	18.033823
"793886"	2119.105123	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+NH4"	18.033823
"1690216"	718.390923	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+NH4"	18.033823
"336308"	709.8776495	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+H+NH4"	19.041099
"727637"	1060.0561995	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+H+NH4"	19.041099
"1488018"	359.6990995	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H+NH4"	19.041099
"402325"	1423.703418	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+Na"	22.989218
"761135"	2124.060518	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+Na"	22.989218
"1604858"	723.346318	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Na"	22.989218
"315986"	712.355347	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+H+Na"	23.996494
"710594"	1062.533897	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+H+Na"	23.996494
"1463326"	362.176797	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H+Na"	23.996494
"1053411"	241.786956666667	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2H+Na"	25.00377
"1260436"	733.390586	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+CH3OH+H"	33.033486
"384480"	1439.677358	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+K"	38.963158
"742560"	2140.034458	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+K"	38.963158
"1544255"	739.320258	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+K"	38.963158
"305804"	720.342317	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+H+K"	39.970434
"698225"	1070.520867	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+H+K"	39.970434
"1455326"	370.163767	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H+K"	39.970434
"246112"	1442.748026	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+ACN+H"	42.033826
"1219917"	742.390926	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+ACN+H"	42.033826
"1205989"	371.699101	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+ACN+2H"	43.041102
"196674"	1445.68536	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+2Na-H"	44.97116
"634413"	2146.04246	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+2Na-H"	44.97116
"1135372"	745.32826	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2Na-H"	44.97116
"178657"	723.346318	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+2Na"	45.978436
"616759"	1073.524868	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+2Na"	45.978436
"1120632"	373.167768	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2Na"	45.978436
"1400877"	249.114270666667	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H+2Na"	46.985712
"1431896"	747.369846	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H+HCOOH"	47.012746
"222687"	728.37934	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+3H2O+2H"	56.04448
"1510018"	761.42189	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+IsoProp+H"	61.06479
"410433"	731.333288	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+Na+K"	61.952376
"772528"	1081.511838	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+Na+K"	61.952376
"1666427"	381.154738	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Na+K"	61.952376
"252219"	1464.729968	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+ACN+Na"	64.015768
"1226632"	764.372868	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+ACN+Na"	64.015768
"1713088"	764.396393	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+NH4+HCOOH"	64.039293
"1185617"	256.441584666667	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+3Na"	68.967654
"1657330"	769.351788	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Na+HCOOH"	68.994688
"166745"	1477.63324	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+2K-H"	76.91904
"605211"	2177.99034	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+2K-H"	76.91904
"1091910"	777.27614	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2K-H"	76.91904
"146542"	739.320258	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"2M+2K"	77.926316
"583915"	1089.498808	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"3M+2K"	77.926316
"1072799"	389.141708	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2K"	77.926316
"1103824"	779.290692	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2K+H"	78.933592
"1340214"	779.378307	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+DMSO+H"	79.021207
"1012024"	783.417476	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2ACN+H"	83.060376
"1535616"	784.411108	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+IsoProp+Na+H"	84.054008
"996597"	392.212376	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+2ACN+2H"	84.067652
"1594380"	785.325728	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+K+HCOOH"	84.968628
"1422229"	815.357238	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+H+CF3COOH"	115.000138
"1151430"	412.725651	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+3ACN+2H"	125.094202
"1709735"	832.383785	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+NH4+CF3COOH"	132.026685
"1648664"	837.33918	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+Na+CF3COOH"	136.98208
"1578846"	853.31312	"C08668"	"Septentriodine;Cashmiradelphine"	"C37H52N2O11"	"700.3571"	"M+K+CF3COOH"	152.95602
"802773"	407.3036	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M"	0
"976183"	388.28521	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-H2O-H"	-19.01839
"64423"	270.528457333333	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M-3H"	-3.021828
"505075"	406.296324	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M-3H"	-3.021828
"881172"	134.760590666667	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-3H"	-3.021828
"846"	406.296324	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M-2H"	-2.014552
"444295"	609.948124	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M-2H"	-2.014552
"819911"	202.644524	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-2H"	-2.014552
"84276"	813.599924	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M-H"	-1.007276
"522742"	1220.903524	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M-H"	-1.007276
"899452"	406.296324	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-H"	-1.007276
"51643"	830.626471	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M-2H+NH4"	16.019271
"492295"	1237.930071	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M-2H+NH4"	16.019271
"870458"	423.322871	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-2H+NH4"	16.019271
"35813"	835.581866	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M-2H+Na"	20.974666
"480843"	1242.885466	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M-2H+Na"	20.974666
"855362"	428.278266	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-2H+Na"	20.974666
"1621615"	428.278266	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Na-2H"	20.974666
"98503"	424.284663	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M-H+Cl"	33.962126
"536606"	627.936463	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M-H+Cl"	33.962126
"928178"	220.632863	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-H+Cl"	33.962126
"267709"	849.576602	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+Cl"	34.969402
"660371"	1256.880202	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+Cl"	34.969402
"1273145"	442.273002	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Cl"	34.969402
"16353"	851.555806	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M-2H+K"	36.948606
"456233"	1258.859406	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M-2H+K"	36.948606
"833103"	444.252206	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-2H+K"	36.948606
"1555741"	444.252206	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+K-2H"	36.948606
"944074"	452.301794	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-H+HCOOH"	44.998194
"362291"	859.605401	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+HCOOH-H"	44.998201
"350185"	873.621051	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+Hac-H"	59.013851
"1494641"	466.317451	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Hac-H"	59.013851
"960360"	474.283751	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-H+NaCOOH"	66.980151
"110200"	442.273002	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+2Cl"	69.938804
"551748"	645.924802	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+2Cl"	69.938804
"1026017"	238.621202	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2Cl"	69.938804
"1245960"	486.222485	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Br"	78.918885
"1306948"	488.278472	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Cl+HCOOH"	80.974872
"1322624"	510.260429	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Cl+NaCOOH"	102.956829
"914775"	520.289186	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M-H+CF3COOH"	112.985586
"1293669"	556.265864	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Cl+CF3COOH"	148.962264
"1374748"	372.290924	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H-2H2O"	-35.012676
"1388967"	390.3009	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H-H2O"	-17.0027
"287560"	815.614476	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+H"	1.007276
"681076"	1222.918076	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+H"	1.007276
"1357426"	408.310876	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H"	1.007276
"133594"	408.310876	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+2H"	2.014552
"569874"	611.962676	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+2H"	2.014552
"1045234"	204.659076	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2H"	2.014552
"216415"	272.543009333333	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+3H"	3.021828
"646501"	408.310876	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+3H"	3.021828
"1165718"	136.775142666667	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+3H"	3.021828
"426800"	832.641023	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+NH4"	18.033823
"795089"	1239.944623	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+NH4"	18.033823
"1691419"	425.337423	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+NH4"	18.033823
"342979"	416.8241495	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+H+NH4"	19.041099
"733215"	620.4759495	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+H+NH4"	19.041099
"1490317"	213.1723495	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H+NH4"	19.041099
"407177"	837.596418	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+Na"	22.989218
"764525"	1244.900018	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+Na"	22.989218
"1609342"	430.292818	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Na"	22.989218
"318283"	419.301847	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+H+Na"	23.996494
"712894"	622.953647	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+H+Na"	23.996494
"1464528"	215.650047	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H+Na"	23.996494
"1055587"	144.102456666667	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2H+Na"	25.00377
"1264919"	440.337086	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+CH3OH+H"	33.033486
"383494"	853.570358	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+K"	38.963158
"746679"	1260.873958	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+K"	38.963158
"1543272"	446.266758	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+K"	38.963158
"303727"	427.288817	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+H+K"	39.970434
"698337"	630.940617	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+H+K"	39.970434
"1454344"	223.637017	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H+K"	39.970434
"245130"	856.641026	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+ACN+H"	42.033826
"1220028"	449.337426	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+ACN+H"	42.033826
"1203911"	225.172351	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+ACN+2H"	43.041102
"194597"	859.57836	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+2Na-H"	44.97116
"634523"	1266.88196	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+2Na-H"	44.97116
"1138761"	452.27476	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2Na-H"	44.97116
"178767"	430.292818	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+2Na"	45.978436
"618328"	633.944618	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+2Na"	45.978436
"1125116"	226.641018	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2Na"	45.978436
"1405360"	151.429770666667	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H+2Na"	46.985712
"1434196"	454.316346	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H+HCOOH"	47.012746
"224985"	435.32584	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+3H2O+2H"	56.04448
"1514139"	468.36839	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+IsoProp+H"	61.06479
"414918"	438.279788	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+Na+K"	61.952376
"777010"	641.931588	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+Na+K"	61.952376
"1672975"	234.627988	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Na+K"	61.952376
"256945"	878.622968	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+ACN+Na"	64.015768
"1229656"	471.319368	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+ACN+Na"	64.015768
"1715992"	471.342893	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+NH4+HCOOH"	64.039293
"1183904"	158.757084666667	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+3Na"	68.967654
"1659989"	476.298288	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Na+HCOOH"	68.994688
"164666"	891.52624	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+2K-H"	76.91904
"606413"	1298.82984	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+2K-H"	76.91904
"1095299"	484.22264	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2K-H"	76.91904
"144830"	446.266758	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"2M+2K"	77.926316
"584025"	649.918558	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"3M+2K"	77.926316
"1071816"	242.614958	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2K"	77.926316
"1103569"	486.237192	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2K+H"	78.933592
"1341417"	486.324807	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+DMSO+H"	79.021207
"1012134"	490.363976	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2ACN+H"	83.060376
"1536819"	491.357608	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+IsoProp+Na+H"	84.054008
"999987"	245.685626	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+2ACN+2H"	84.067652
"1594491"	492.272228	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+K+HCOOH"	84.968628
"1422339"	522.303738	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+H+CF3COOH"	115.000138
"1150444"	266.198901	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+3ACN+2H"	125.094202
"1706562"	539.330285	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+NH4+CF3COOH"	132.026685
"1648774"	544.28568	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+Na+CF3COOH"	136.98208
"1578956"	560.25962	"C08669"	"Cassaidine"	"C24H41NO4"	"407.3036"	"M+K+CF3COOH"	152.95602
"806042"	405.2879	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M"	0
"974996"	386.26951	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-H2O-H"	-19.01839
"63802"	269.184657333333	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M-3H"	-3.021828
"504090"	404.280624	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M-3H"	-3.021828
"880924"	134.088690666667	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-3H"	-3.021828
"2662"	404.280624	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M-2H"	-2.014552
"441613"	606.924574	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M-2H"	-2.014552
"818200"	201.636674	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-2H"	-2.014552
"88767"	809.568524	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M-H"	-1.007276
"523952"	1214.856424	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M-H"	-1.007276
"901755"	404.280624	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-H"	-1.007276
"53943"	826.595071	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M-2H+NH4"	16.019271
"498974"	1231.882971	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M-2H+NH4"	16.019271
"875680"	421.307171	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-2H+NH4"	16.019271
"38115"	831.550466	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M-2H+Na"	20.974666
"476581"	1236.838366	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M-2H+Na"	20.974666
"853288"	426.262566	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-2H+Na"	20.974666
"1621728"	426.262566	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Na-2H"	20.974666
"96792"	422.268963	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M-H+Cl"	33.962126
"535629"	624.912913	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M-H+Cl"	33.962126
"927447"	219.625013	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-H+Cl"	33.962126
"269893"	845.545202	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+Cl"	34.969402
"663409"	1250.833102	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+Cl"	34.969402
"1276908"	440.257302	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Cl"	34.969402
"20559"	847.524406	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M-2H+K"	36.948606
"456107"	1252.812306	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M-2H+K"	36.948606
"842295"	442.236506	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-2H+K"	36.948606
"1562869"	442.236506	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+K-2H"	36.948606
"946012"	450.286094	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-H+HCOOH"	44.998194
"363860"	855.574001	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+HCOOH-H"	44.998201
"346773"	869.589651	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+Hac-H"	59.013851
"1493417"	464.301751	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Hac-H"	59.013851
"963027"	472.268051	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-H+NaCOOH"	66.980151
"110353"	440.257302	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+2Cl"	69.938804
"554048"	642.901252	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+2Cl"	69.938804
"1024669"	237.613352	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2Cl"	69.938804
"1242426"	484.206785	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Br"	78.918885
"1305605"	486.262772	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Cl+HCOOH"	80.974872
"1320911"	508.244729	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Cl+NaCOOH"	102.956829
"912699"	518.273486	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M-H+CF3COOH"	112.985586
"1292325"	554.250164	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Cl+CF3COOH"	148.962264
"1371580"	370.275224	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H-2H2O"	-35.012676
"1393085"	388.2852	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H-H2O"	-17.0027
"284751"	811.583076	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+H"	1.007276
"678997"	1216.870976	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+H"	1.007276
"1357536"	406.295176	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H"	1.007276
"133704"	406.295176	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+2H"	2.014552
"573264"	608.939126	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+2H"	2.014552
"1045345"	203.651226	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2H"	2.014552
"213249"	271.199209333333	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+3H"	3.021828
"649527"	406.295176	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+3H"	3.021828
"1168746"	136.103242666667	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+3H"	3.021828
"434206"	828.609623	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+NH4"	18.033823
"799940"	1233.897523	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+NH4"	18.033823
"1689344"	423.321723	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+NH4"	18.033823
"339811"	414.8084495	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+H+NH4"	19.041099
"734420"	617.4523995	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+H+NH4"	19.041099
"1487148"	212.1644995	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H+NH4"	19.041099
"407286"	833.565018	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+Na"	22.989218
"768646"	1238.852918	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+Na"	22.989218
"1607263"	428.277118	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Na"	22.989218
"320581"	417.286147	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+H+Na"	23.996494
"714097"	619.930097	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+H+Na"	23.996494
"1465731"	214.642197	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H+Na"	23.996494
"1056790"	143.430556666667	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2H+Na"	25.00377
"1262845"	438.321386	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+CH3OH+H"	33.033486
"384698"	849.538958	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+K"	38.963158
"743508"	1254.826858	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+K"	38.963158
"1545569"	444.251058	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+K"	38.963158
"311495"	425.273117	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+H+K"	39.970434
"698449"	627.917067	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+H+K"	39.970434
"1458829"	222.629167	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H+K"	39.970434
"248160"	852.609626	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+ACN+H"	42.033826
"1220139"	447.321726	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+ACN+H"	42.033826
"1206939"	224.164501	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+ACN+2H"	43.041102
"197622"	855.54696	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+2Na-H"	44.97116
"635360"	1260.83486	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+2Na-H"	44.97116
"1138871"	450.25906	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2Na-H"	44.97116
"177790"	428.277118	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+2Na"	45.978436
"616619"	630.921068	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+2Na"	45.978436
"1120854"	225.633168	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2Na"	45.978436
"1407663"	150.757870666667	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H+2Na"	46.985712
"1436499"	452.300646	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H+HCOOH"	47.012746
"228380"	433.31014	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+3H2O+2H"	56.04448
"1515347"	466.35269	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+IsoProp+H"	61.06479
"417222"	436.264088	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+Na+K"	61.952376
"773842"	638.908038	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+Na+K"	61.952376
"1670900"	233.620138	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Na+K"	61.952376
"255962"	874.591568	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+ACN+Na"	64.015768
"1226973"	469.303668	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+ACN+Na"	64.015768
"1714401"	469.327193	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+NH4+HCOOH"	64.039293
"1182920"	158.085184666667	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+3Na"	68.967654
"1653907"	474.282588	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Na+HCOOH"	68.994688
"164778"	887.49484	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+2K-H"	76.91904
"603609"	1292.78274	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+2K-H"	76.91904
"1087394"	482.20694	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2K-H"	76.91904
"142875"	444.251058	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"2M+2K"	77.926316
"584137"	646.895008	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"3M+2K"	77.926316
"1078492"	241.607108	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2K"	77.926316
"1102588"	484.221492	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2K+H"	78.933592
"1340434"	484.309107	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+DMSO+H"	79.021207
"1015524"	488.348276	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2ACN+H"	83.060376
"1533649"	489.341908	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+IsoProp+Na+H"	84.054008
"996817"	244.677776	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+2ACN+2H"	84.067652
"1597881"	490.256528	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+K+HCOOH"	84.968628
"1415888"	520.288038	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+H+CF3COOH"	115.000138
"1152738"	265.191051	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+3ACN+2H"	125.094202
"1700104"	537.314585	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+NH4+CF3COOH"	132.026685
"1635756"	542.26998	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+Na+CF3COOH"	136.98208
"1579066"	558.24392	"C08670"	"Cassaine"	"C24H39NO4"	"405.2879"	"M+K+CF3COOH"	152.95602
"806152"	449.2777	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M"	0
"975310"	430.25931	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-H2O-H"	-19.01839
"63185"	298.511190666667	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M-3H"	-3.021828
"503011"	448.270424	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M-3H"	-3.021828
"886386"	148.751957333333	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-3H"	-3.021828
"586"	448.270424	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M-2H"	-2.014552
"440510"	672.909274	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M-2H"	-2.014552
"817420"	223.631574	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-2H"	-2.014552
"87784"	897.548124	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M-H"	-1.007276
"524064"	1346.825824	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M-H"	-1.007276
"900772"	448.270424	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-H"	-1.007276
"59525"	914.574671	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M-2H+NH4"	16.019271
"494710"	1363.852371	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M-2H+NH4"	16.019271
"872513"	465.296971	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-2H+NH4"	16.019271
"33121"	919.530066	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M-2H+Na"	20.974666
"472315"	1368.807766	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M-2H+Na"	20.974666
"850116"	470.252366	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-2H+Na"	20.974666
"1621837"	470.252366	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Na-2H"	20.974666
"97633"	466.258763	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M-H+Cl"	33.962126
"536103"	690.897613	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M-H+Cl"	33.962126
"930353"	241.619913	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-H+Cl"	33.962126
"270003"	933.524802	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+Cl"	34.969402
"660966"	1382.802502	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+Cl"	34.969402
"1277018"	484.247102	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Cl"	34.969402
"20669"	935.504006	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M-2H+K"	36.948606
"455972"	1384.781706	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M-2H+K"	36.948606
"840218"	486.226306	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-2H+K"	36.948606
"1564072"	486.226306	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+K-2H"	36.948606
"947580"	494.275894	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-H+HCOOH"	44.998194
"364700"	943.553601	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+HCOOH-H"	44.998201
"347490"	957.569251	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+Hac-H"	59.013851
"1493770"	508.291551	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Hac-H"	59.013851
"960949"	516.257851	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-H+NaCOOH"	66.980151
"112045"	484.247102	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+2Cl"	69.938804
"553794"	708.885952	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+2Cl"	69.938804
"1024416"	259.608252	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2Cl"	69.938804
"1243994"	528.196585	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Br"	78.918885
"1307536"	530.252572	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Cl+HCOOH"	80.974872
"1321748"	552.234529	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Cl+NaCOOH"	102.956829
"911715"	562.263286	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M-H+CF3COOH"	112.985586
"1288558"	598.239964	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Cl+CF3COOH"	148.962264
"1369136"	414.265024	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H-2H2O"	-35.012676
"1385176"	432.275	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H-H2O"	-17.0027
"286316"	899.562676	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+H"	1.007276
"680199"	1348.840376	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+H"	1.007276
"1352903"	450.284976	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H"	1.007276
"131627"	450.284976	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+2H"	2.014552
"574469"	674.923826	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+2H"	2.014552
"1048372"	225.646126	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2H"	2.014552
"213359"	300.525742666667	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+3H"	3.021828
"648544"	450.284976	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+3H"	3.021828
"1171043"	150.766509333333	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+3H"	3.021828
"438326"	916.589223	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+NH4"	18.033823
"795311"	1365.866923	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+NH4"	18.033823
"1690550"	467.311523	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+NH4"	18.033823
"342109"	458.7982495	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+H+NH4"	19.041099
"730156"	683.4370995	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+H+NH4"	19.041099
"1488350"	234.1593995	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H+NH4"	19.041099
"403752"	921.544618	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+Na"	22.989218
"760370"	1370.822318	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+Na"	22.989218
"1611747"	472.266918	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Na"	22.989218
"323972"	461.275947	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+H+Na"	23.996494
"710925"	685.914797	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+H+Na"	23.996494
"1466932"	236.637097	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H+Na"	23.996494
"1056170"	158.093823333333	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2H+Na"	25.00377
"1260767"	482.311186	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+CH3OH+H"	33.033486
"381528"	937.518558	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+K"	38.963158
"740702"	1386.796258	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+K"	38.963158
"1545679"	488.240858	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+K"	38.963158
"308325"	469.262917	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+H+K"	39.970434
"701840"	693.901767	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+H+K"	39.970434
"1454566"	244.624067	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H+K"	39.970434
"246450"	940.589226	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+ACN+H"	42.033826
"1221344"	491.311526	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+ACN+H"	42.033826
"1206685"	246.159401	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+ACN+2H"	43.041102
"195910"	943.52656	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+2Na-H"	44.97116
"633284"	1392.80426	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+2Na-H"	44.97116
"1138981"	494.24886	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2Na-H"	44.97116
"177901"	472.266918	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+2Na"	45.978436
"618551"	696.905768	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+2Na"	45.978436
"1122057"	247.628068	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2Na"	45.978436
"1406679"	165.421137333333	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H+2Na"	46.985712
"1437702"	496.290446	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H+HCOOH"	47.012746
"230314"	477.29994	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+3H2O+2H"	56.04448
"1517647"	510.34249	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+IsoProp+H"	61.06479
"418062"	480.253888	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+Na+K"	61.952376
"773952"	704.892738	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+Na+K"	61.952376
"1668461"	255.615038	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Na+K"	61.952376
"254615"	962.571168	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+ACN+Na"	64.015768
"1227690"	513.293468	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+ACN+Na"	64.015768
"1715120"	513.316993	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+NH4+HCOOH"	64.039293
"1184487"	172.748451333333	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+3Na"	68.967654
"1658025"	518.272388	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Na+HCOOH"	68.994688
"164887"	975.47444	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+2K-H"	76.91904
"598496"	1424.75214	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+2K-H"	76.91904
"1086777"	526.19674	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2K-H"	76.91904
"143595"	488.240858	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"2M+2K"	77.926316
"584249"	712.879708	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"3M+2K"	77.926316
"1070948"	263.602008	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2K"	77.926316
"1110719"	528.211292	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2K+H"	78.933592
"1340544"	528.298907	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+DMSO+H"	79.021207
"1014541"	532.338076	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2ACN+H"	83.060376
"1527198"	533.331708	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+IsoProp+Na+H"	84.054008
"991458"	266.672676	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+2ACN+2H"	84.067652
"1587544"	534.246328	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+K+HCOOH"	84.968628
"1416725"	564.277838	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+H+CF3COOH"	115.000138
"1150663"	287.185951	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+3ACN+2H"	125.094202
"1701309"	581.304385	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+NH4+CF3COOH"	132.026685
"1634772"	586.25978	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+Na+CF3COOH"	136.98208
"1579176"	602.23372	"C08671"	"Condelphine"	"C25H39NO6"	"449.2777"	"M+K+CF3COOH"	152.95602
"806262"	343.2511	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M"	0
"974461"	324.23271	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-H2O-H"	-19.01839
"65118"	227.826790666667	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M-3H"	-3.021828
"503009"	342.243824	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M-3H"	-3.021828
"885402"	113.409757333333	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-3H"	-3.021828
"2882"	342.243824	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M-2H"	-2.014552
"442442"	513.869374	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M-2H"	-2.014552
"820245"	170.618274	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-2H"	-2.014552
"83521"	685.494924	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M-H"	-1.007276
"519674"	1028.746024	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M-H"	-1.007276
"896384"	342.243824	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-H"	-1.007276
"50884"	702.521471	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M-2H+NH4"	16.019271
"490446"	1045.772571	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M-2H+NH4"	16.019271
"870435"	359.270371	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-2H+NH4"	16.019271
"32138"	707.476866	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M-2H+Na"	20.974666
"471614"	1050.727966	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M-2H+Na"	20.974666
"849132"	364.225766	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-2H+Na"	20.974666
"1620855"	364.225766	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Na-2H"	20.974666
"95922"	360.232163	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M-H+Cl"	33.962126
"535120"	531.857713	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M-H+Cl"	33.962126
"930463"	188.606613	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-H+Cl"	33.962126
"273393"	721.471602	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+Cl"	34.969402
"660834"	1064.722702	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+Cl"	34.969402
"1274576"	378.220502	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Cl"	34.969402
"20779"	723.450806	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M-2H+K"	36.948606
"456038"	1066.701906	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M-2H+K"	36.948606
"840328"	380.199706	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-2H+K"	36.948606
"1563818"	380.199706	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+K-2H"	36.948606
"944775"	388.249294	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-H+HCOOH"	44.998194
"366634"	731.500401	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+HCOOH-H"	44.998201
"347600"	745.516051	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+Hac-H"	59.013851
"1494610"	402.264951	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Hac-H"	59.013851
"960695"	410.231251	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-H+NaCOOH"	66.980151
"111426"	378.220502	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+2Cl"	69.938804
"556456"	549.846052	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+2Cl"	69.938804
"1027808"	206.594952	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2Cl"	69.938804
"1245564"	422.169985	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Br"	78.918885
"1311657"	424.225972	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Cl+HCOOH"	80.974872
"1323317"	446.207929	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Cl+NaCOOH"	102.956829
"912191"	456.236686	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M-H+CF3COOH"	112.985586
"1291817"	492.213364	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Cl+CF3COOH"	148.962264
"1375080"	308.238424	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H-2H2O"	-35.012676
"1395858"	326.2484	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H-H2O"	-17.0027
"292263"	687.509476	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+H"	1.007276
"683592"	1030.760576	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+H"	1.007276
"1356661"	344.258376	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H"	1.007276
"135020"	344.258376	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+2H"	2.014552
"571299"	515.883926	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+2H"	2.014552
"1044474"	172.632826	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2H"	2.014552
"215295"	229.841342666667	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+3H"	3.021828
"658258"	344.258376	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+3H"	3.021828
"1176990"	115.424309333333	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+3H"	3.021828
"437956"	704.536023	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+NH4"	18.033823
"797612"	1047.787123	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+NH4"	18.033823
"1690661"	361.284923	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+NH4"	18.033823
"342587"	352.7716495	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+H+NH4"	19.041099
"735371"	524.3971995	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+H+NH4"	19.041099
"1487004"	181.1460995	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H+NH4"	19.041099
"403499"	709.491418	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+Na"	22.989218
"767773"	1052.742518	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+Na"	22.989218
"1612952"	366.240318	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Na"	22.989218
"320801"	355.249347	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+H+Na"	23.996494
"711037"	526.874897	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+H+Na"	23.996494
"1465952"	183.623797	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H+Na"	23.996494
"1055918"	122.751623333333	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2H+Na"	25.00377
"1260877"	376.284586	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+CH3OH+H"	33.033486
"383826"	725.465358	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+K"	38.963158
"740812"	1068.716458	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+K"	38.963158
"1545789"	382.214258	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+K"	38.963158
"306248"	363.236317	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+H+K"	39.970434
"701950"	534.861867	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+H+K"	39.970434
"1451396"	191.610767	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H+K"	39.970434
"247653"	728.536026	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+ACN+H"	42.033826
"1219267"	385.284926	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+ACN+H"	42.033826
"1206795"	193.146101	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+ACN+2H"	43.041102
"197842"	731.47336	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+2Na-H"	44.97116
"633394"	1074.72446	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+2Na-H"	44.97116
"1135083"	388.22226	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2Na-H"	44.97116
"175946"	366.240318	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+2Na"	45.978436
"617568"	537.865868	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+2Na"	45.978436
"1121075"	194.614768	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2Na"	45.978436
"1406425"	130.078937333333	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H+2Na"	46.985712
"1437812"	390.263846	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H+HCOOH"	47.012746
"228601"	371.27334	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+3H2O+2H"	56.04448
"1517756"	404.31589	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+IsoProp+H"	61.06479
"413069"	374.227288	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+Na+K"	61.952376
"775156"	545.852838	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+Na+K"	61.952376
"1669300"	202.601738	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Na+K"	61.952376
"258007"	750.517968	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+ACN+Na"	64.015768
"1228531"	407.266868	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+ACN+Na"	64.015768
"1721791"	407.290393	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+NH4+HCOOH"	64.039293
"1183869"	137.406251333333	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+3Na"	68.967654
"1653033"	412.245788	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Na+HCOOH"	68.994688
"162810"	763.42124	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+2K-H"	76.91904
"598364"	1106.67234	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+2K-H"	76.91904
"1086888"	420.17014	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2K-H"	76.91904
"143704"	382.214258	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"2M+2K"	77.926316
"584359"	553.839808	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"3M+2K"	77.926316
"1071422"	210.588708	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2K"	77.926316
"1110829"	422.184692	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2K+H"	78.933592
"1343933"	422.272307	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+DMSO+H"	79.021207
"1009184"	426.311476	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2ACN+H"	83.060376
"1526215"	427.305108	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+IsoProp+Na+H"	84.054008
"992661"	213.659376	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+2ACN+2H"	84.067652
"1589352"	428.219728	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+K+HCOOH"	84.968628
"1417201"	458.251238	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+H+CF3COOH"	115.000138
"1147612"	234.172651	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+3ACN+2H"	125.094202
"1698139"	475.277785	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+NH4+CF3COOH"	132.026685
"1634882"	480.23318	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+Na+CF3COOH"	136.98208
"1579286"	496.20712	"C08672"	"Cuauchichicine;Veatchine15-deoxy-1617-dihydro-15-oxo- (16-beta20S)-"	"C22H33NO2"	"343.2511"	"M+K+CF3COOH"	152.95602
"806372"	668.3309	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M"	0
"974552"	649.31251	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-H2O-H"	-19.01839
"63285"	444.546657333333	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M-3H"	-3.021828
"503165"	667.323624	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M-3H"	-3.021828
"883326"	221.769690666667	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-3H"	-3.021828
"1901"	667.323624	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M-2H"	-2.014552
"440608"	1001.489074	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M-2H"	-2.014552
"818169"	333.158174	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-2H"	-2.014552
"81444"	1335.654524	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M-H"	-1.007276
"518848"	2003.985424	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M-H"	-1.007276
"896129"	667.323624	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-H"	-1.007276
"52088"	1352.681071	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M-2H+NH4"	16.019271
"488490"	2021.011971	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M-2H+NH4"	16.019271
"869452"	684.350171	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-2H+NH4"	16.019271
"32978"	1357.636466	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M-2H+Na"	20.974666
"471600"	2025.967366	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M-2H+Na"	20.974666
"849368"	689.305566	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-2H+Na"	20.974666
"1618607"	689.305566	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Na-2H"	20.974666
"96397"	685.311963	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M-H+Cl"	33.962126
"534501"	1019.477413	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M-H+Cl"	33.962126
"929480"	351.146513	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-H+Cl"	33.962126
"273503"	1371.631202	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+Cl"	34.969402
"661552"	2039.962102	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+Cl"	34.969402
"1274320"	703.300302	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Cl"	34.969402
"19796"	1373.610406	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M-2H+K"	36.948606
"455919"	2041.941306	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M-2H+K"	36.948606
"841532"	705.279506	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-2H+K"	36.948606
"1559555"	705.279506	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+K-2H"	36.948606
"947437"	713.329094	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-H+HCOOH"	44.998194
"363100"	1381.660001	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+HCOOH-H"	44.998201
"350630"	1395.675651	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+Hac-H"	59.013851
"1499463"	727.344751	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Hac-H"	59.013851
"958858"	735.311051	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-H+NaCOOH"	66.980151
"118100"	703.300302	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+2Cl"	69.938804
"555838"	1037.465752	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+2Cl"	69.938804
"1028648"	369.134852	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2Cl"	69.938804
"1244216"	747.249785	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Br"	78.918885
"1308852"	749.305772	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Cl+HCOOH"	80.974872
"1326346"	771.287729	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Cl+NaCOOH"	102.956829
"914489"	781.316486	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M-H+CF3COOH"	112.985586
"1291927"	817.293164	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Cl+CF3COOH"	148.962264
"1380294"	633.318224	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H-2H2O"	-35.012676
"1393782"	651.3282	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H-H2O"	-17.0027
"290187"	1337.669076	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+H"	1.007276
"681517"	2005.999976	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+H"	1.007276
"1362607"	669.338176	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H"	1.007276
"137319"	669.338176	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+2H"	2.014552
"571409"	1003.503626	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+2H"	2.014552
"1044584"	335.172726	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2H"	2.014552
"215040"	446.561209333333	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+3H"	3.021828
"657883"	669.338176	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+3H"	3.021828
"1175644"	223.784242666667	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+3H"	3.021828
"437459"	1354.695623	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+NH4"	18.033823
"799180"	2023.026523	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+NH4"	18.033823
"1690771"	686.364723	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+NH4"	18.033823
"336861"	677.8514495	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+H+NH4"	19.041099
"733656"	1012.0168995	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+H+NH4"	19.041099
"1488206"	343.6859995	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H+NH4"	19.041099
"402876"	1359.651018	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+Na"	22.989218
"763508"	2027.981918	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+Na"	22.989218
"1611970"	691.320118	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Na"	22.989218
"323101"	680.329147	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+H+Na"	23.996494
"712242"	1014.494597	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+H+Na"	23.996494
"1466063"	346.163697	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H+Na"	23.996494
"1060403"	231.111556666667	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2H+Na"	25.00377
"1262078"	701.364386	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+CH3OH+H"	33.033486
"382841"	1375.624958	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+K"	38.963158
"738780"	2043.955858	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+K"	38.963158
"1542619"	707.294058	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+K"	38.963158
"306358"	688.316117	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+H+K"	39.970434
"702062"	1022.481567	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+H+K"	39.970434
"1453693"	354.150667	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H+K"	39.970434
"240111"	1378.695626	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+ACN+H"	42.033826
"1217193"	710.364726	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+ACN+H"	42.033826
"1198889"	355.686001	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+ACN+2H"	43.041102
"199412"	1381.63296	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+2Na-H"	44.97116
"632773"	2049.96386	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+2Na-H"	44.97116
"1132881"	713.30206	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2Na-H"	44.97116
"174961"	691.320118	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+2Na"	45.978436
"614398"	1025.485568	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+2Na"	45.978436
"1118028"	357.154668	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2Na"	45.978436
"1403621"	238.438870666667	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H+2Na"	46.985712
"1432455"	715.343646	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H+HCOOH"	47.012746
"222271"	696.35314	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+3H2O+2H"	56.04448
"1509362"	729.39569	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+IsoProp+H"	61.06479
"409168"	699.307088	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+Na+K"	61.952376
"774174"	1033.472538	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+Na+K"	61.952376
"1667223"	365.141638	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Na+K"	61.952376
"252282"	1400.677568	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+ACN+Na"	64.015768
"1228640"	732.346668	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+ACN+Na"	64.015768
"1717527"	732.370193	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+NH4+HCOOH"	64.039293
"1182156"	245.766184666667	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+3Na"	68.967654
"1653506"	737.325588	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Na+HCOOH"	68.994688
"164012"	1413.58084	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+2K-H"	76.91904
"598472"	2081.91174	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+2K-H"	76.91904
"1090280"	745.24994	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2K-H"	76.91904
"143450"	707.294058	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"2M+2K"	77.926316
"583010"	1041.459508	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"3M+2K"	77.926316
"1070440"	373.128608	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2K"	77.926316
"1101463"	747.264492	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2K+H"	78.933592
"1340763"	747.352107	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+DMSO+H"	79.021207
"1014760"	751.391276	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2ACN+H"	83.060376
"1530699"	752.384908	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+IsoProp+Na+H"	84.054008
"991679"	376.199276	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+2ACN+2H"	84.067652
"1589464"	753.299528	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+K+HCOOH"	84.968628
"1414516"	783.331038	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+H+CF3COOH"	115.000138
"1147178"	396.712551	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+3ACN+2H"	125.094202
"1702623"	800.357585	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+NH4+CF3COOH"	132.026685
"1642648"	805.31298	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+Na+CF3COOH"	136.98208
"1579396"	821.28692	"C08673"	"14-Deacetylnudicauline"	"C36H48N2O10"	"668.3309"	"M+K+CF3COOH"	152.95602
"809762"	714.3728	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M"	0
"976733"	695.35441	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-H2O-H"	-19.01839
"67165"	475.241257333333	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M-3H"	-3.021828
"504538"	713.365524	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M-3H"	-3.021828
"883436"	237.116990666667	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-3H"	-3.021828
"3104"	713.365524	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M-2H"	-2.014552
"442663"	1070.551924	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M-2H"	-2.014552
"820466"	356.179124	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-2H"	-2.014552
"82647"	1427.738324	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M-H"	-1.007276
"519410"	2142.111124	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M-H"	-1.007276
"896361"	713.365524	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-H"	-1.007276
"47577"	1444.764871	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M-2H+NH4"	16.019271
"491759"	2159.137671	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M-2H+NH4"	16.019271
"870655"	730.392071	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-2H+NH4"	16.019271
"35275"	1449.720266	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M-2H+Na"	20.974666
"475927"	2164.093066	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M-2H+Na"	20.974666
"852637"	735.347466	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-2H+Na"	20.974666
"1621076"	735.347466	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Na-2H"	20.974666
"96871"	731.353863	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M-H+Cl"	33.962126
"535342"	1088.540263	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M-H+Cl"	33.962126
"929590"	374.167463	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-H+Cl"	33.962126
"273613"	1463.715002	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+Cl"	34.969402
"662146"	2178.087802	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+Cl"	34.969402
"1280626"	749.342202	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Cl"	34.969402
"18081"	1465.694206	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M-2H+K"	36.948606
"461651"	2180.067006	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M-2H+K"	36.948606
"840549"	751.321406	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-2H+K"	36.948606
"1558936"	751.321406	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+K-2H"	36.948606
"949734"	759.370994	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-H+HCOOH"	44.998194
"363573"	1473.743801	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+HCOOH-H"	44.998201
"351833"	1487.759451	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+Hac-H"	59.013851
"1500667"	773.386651	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Hac-H"	59.013851
"960183"	781.352951	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-H+NaCOOH"	66.980151
"117481"	749.342202	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+2Cl"	69.938804
"556312"	1106.528602	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+2Cl"	69.938804
"1030944"	392.155802	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2Cl"	69.938804
"1249432"	793.291685	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Br"	78.918885
"1314066"	795.347672	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Cl+HCOOH"	80.974872
"1328279"	817.329629	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Cl+NaCOOH"	102.956829
"917516"	827.358386	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M-H+CF3COOH"	112.985586
"1294954"	863.335064	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Cl+CF3COOH"	148.962264
"1380040"	679.360124	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H-2H2O"	-35.012676
"1397176"	697.3701	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H-H2O"	-17.0027
"291391"	1429.752876	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+H"	1.007276
"684907"	2144.125676	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+H"	1.007276
"1359072"	715.380076	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H"	1.007276
"138523"	715.380076	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+2H"	2.014552
"574435"	1072.566476	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+2H"	2.014552
"1049799"	358.193676	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2H"	2.014552
"215882"	477.255809333333	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+3H"	3.021828
"657626"	715.380076	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+3H"	3.021828
"1176117"	239.131542666667	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+3H"	3.021828
"438783"	1446.779423	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+NH4"	18.033823
"799654"	2161.152223	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+NH4"	18.033823
"1688696"	732.406623	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+NH4"	18.033823
"339158"	723.8933495	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+H+NH4"	19.041099
"735952"	1081.0797495	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+H+NH4"	19.041099
"1487586"	366.7069495	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H+NH4"	19.041099
"405172"	1451.734818	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+Na"	22.989218
"769210"	2166.107618	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+Na"	22.989218
"1614267"	737.362018	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Na"	22.989218
"321025"	726.371047	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+H+Na"	23.996494
"712351"	1083.557447	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+H+Na"	23.996494
"1465078"	369.184647	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H+Na"	23.996494
"1060513"	246.458856666667	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2H+Na"	25.00377
"1260001"	747.406286	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+CH3OH+H"	33.033486
"380765"	1467.708758	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+K"	38.963158
"743949"	2182.081558	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+K"	38.963158
"1542729"	753.335958	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+K"	38.963158
"305375"	734.358017	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+H+K"	39.970434
"704358"	1091.544417	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+H+K"	39.970434
"1449794"	377.171617	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H+K"	39.970434
"238398"	1470.779426	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+ACN+H"	42.033826
"1219489"	756.406626	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+ACN+H"	42.033826
"1201186"	378.706951	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+ACN+2H"	43.041102
"196242"	1473.71676	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+2Na-H"	44.97116
"632518"	2188.08956	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+2Na-H"	44.97116
"1136030"	759.34396	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2Na-H"	44.97116
"176042"	737.362018	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+2Na"	45.978436
"614508"	1094.548418	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+2Na"	45.978436
"1119110"	380.175618	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2Na"	45.978436
"1402636"	253.786170666667	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H+2Na"	46.985712
"1433658"	761.385546	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H+HCOOH"	47.012746
"222259"	742.39504	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+3H2O+2H"	56.04448
"1509472"	775.43759	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+IsoProp+H"	61.06479
"408706"	745.348988	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+Na+K"	61.952376
"774283"	1102.535388	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+Na+K"	61.952376
"1668060"	388.162588	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Na+K"	61.952376
"253122"	1492.761368	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+ACN+Na"	64.015768
"1227657"	778.388568	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+ACN+Na"	64.015768
"1717637"	778.412093	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+NH4+HCOOH"	64.039293
"1180809"	261.113484666667	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+3Na"	68.967654
"1655076"	783.367488	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Na+HCOOH"	68.994688
"161936"	1505.66464	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+2K-H"	76.91904
"599679"	2220.03744	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+2K-H"	76.91904
"1089297"	791.29184	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2K-H"	76.91904
"143561"	753.335958	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"2M+2K"	77.926316
"585673"	1110.522358	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"3M+2K"	77.926316
"1071280"	396.149558	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2K"	77.926316
"1102302"	793.306392	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2K+H"	78.933592
"1339049"	793.394007	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+DMSO+H"	79.021207
"1007213"	797.433176	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2ACN+H"	83.060376
"1527529"	798.426808	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+IsoProp+Na+H"	84.054008
"991791"	399.220226	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+2ACN+2H"	84.067652
"1592855"	799.341428	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+K+HCOOH"	84.968628
"1414301"	829.372938	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+H+CF3COOH"	115.000138
"1147204"	419.733501	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+3ACN+2H"	125.094202
"1699453"	846.399485	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+NH4+CF3COOH"	132.026685
"1642758"	851.35488	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+Na+CF3COOH"	136.98208
"1579506"	867.32882	"C08674"	"Delavaine A"	"C38H54N2O11"	"714.3728"	"M+K+CF3COOH"	152.95602
"801853"	479.2883	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M"	0
"974654"	460.26991	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-H2O-H"	-19.01839
"64355"	318.518257333333	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M-3H"	-3.021828
"503918"	478.281024	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M-3H"	-3.021828
"882451"	158.755490666667	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-3H"	-3.021828
"3213"	478.281024	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M-2H"	-2.014552
"444960"	717.925174	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M-2H"	-2.014552
"820573"	238.636874	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-2H"	-2.014552
"83847"	957.569324	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M-H"	-1.007276
"521222"	1436.857624	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M-H"	-1.007276
"896713"	478.281024	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-H"	-1.007276
"47929"	974.595871	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M-2H+NH4"	16.019271
"495150"	1453.884171	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M-2H+NH4"	16.019271
"869669"	495.307571	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-2H+NH4"	16.019271
"38663"	979.551266	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M-2H+Na"	20.974666
"477131"	1458.839566	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M-2H+Na"	20.974666
"849829"	500.262966	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-2H+Na"	20.974666
"1619725"	500.262966	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Na-2H"	20.974666
"95649"	496.269363	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M-H+Cl"	33.962126
"539464"	735.913513	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M-H+Cl"	33.962126
"927997"	256.625213	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-H+Cl"	33.962126
"268377"	993.546002	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+Cl"	34.969402
"660433"	1472.834302	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+Cl"	34.969402
"1280737"	514.257702	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Cl"	34.969402
"24388"	995.525206	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M-2H+K"	36.948606
"462859"	1474.813506	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M-2H+K"	36.948606
"837379"	516.236906	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-2H+K"	36.948606
"1561962"	516.236906	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+K-2H"	36.948606
"947656"	524.286494	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-H+HCOOH"	44.998194
"366965"	1003.574801	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+HCOOH-H"	44.998201
"349021"	1017.590451	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+Hac-H"	59.013851
"1494940"	538.302151	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Hac-H"	59.013851
"959202"	546.268451	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-H+NaCOOH"	66.980151
"119414"	514.257702	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+2Cl"	69.938804
"557883"	753.901852	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+2Cl"	69.938804
"1029231"	274.613552	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2Cl"	69.938804
"1250636"	558.207185	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Br"	78.918885
"1313446"	560.263172	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Cl+HCOOH"	80.974872
"1328391"	582.245129	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Cl+NaCOOH"	102.956829
"917260"	592.273886	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M-H+CF3COOH"	112.985586
"1301627"	628.250564	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Cl+CF3COOH"	148.962264
"1380516"	444.275624	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H-2H2O"	-35.012676
"1396921"	462.2856	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H-H2O"	-17.0027
"297335"	959.583876	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+H"	1.007276
"685019"	1438.872176	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+H"	1.007276
"1363922"	480.295576	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H"	1.007276
"139361"	480.295576	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+2H"	2.014552
"573816"	719.939726	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+2H"	2.014552
"1048451"	240.651426	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2H"	2.014552
"218540"	320.532809333333	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+3H"	3.021828
"647892"	480.295576	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+3H"	3.021828
"1172578"	160.770042666667	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+3H"	3.021828
"438404"	976.610423	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+NH4"	18.033823
"800129"	1455.898723	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+NH4"	18.033823
"1695004"	497.322123	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+NH4"	18.033823
"342189"	488.8088495	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+H+NH4"	19.041099
"733880"	728.4529995	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+H+NH4"	19.041099
"1486609"	249.1646995	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H+NH4"	19.041099
"398727"	981.565818	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+Na"	22.989218
"769077"	1460.854118	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+Na"	22.989218
"1607815"	502.277518	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Na"	22.989218
"323321"	491.286547	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+H+Na"	23.996494
"711367"	730.930697	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+H+Na"	23.996494
"1464458"	251.642397	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H+Na"	23.996494
"1055882"	168.097356666667	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2H+Na"	25.00377
"1269956"	512.321786	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+CH3OH+H"	33.033486
"383062"	997.539758	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+K"	38.963158
"740786"	1476.828058	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+K"	38.963158
"1542840"	518.251458	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+K"	38.963158
"305485"	499.273517	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+H+K"	39.970434
"701187"	738.917667	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+H+K"	39.970434
"1456101"	259.629367	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H+K"	39.970434
"249077"	1000.610426	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+ACN+H"	42.033826
"1220691"	521.322126	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+ACN+H"	42.033826
"1202389"	261.164701	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+ACN+2H"	43.041102
"193071"	1003.54776	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+2Na-H"	44.97116
"630574"	1482.83606	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+2Na-H"	44.97116
"1135050"	524.25946	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2Na-H"	44.97116
"176152"	502.277518	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+2Na"	45.978436
"613278"	741.921668	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+2Na"	45.978436
"1119218"	262.633368	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2Na"	45.978436
"1399214"	175.424670666667	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H+2Na"	46.985712
"1433765"	526.301046	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H+HCOOH"	47.012746
"222368"	507.31054	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+3H2O+2H"	56.04448
"1510431"	540.35309	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+IsoProp+H"	61.06479
"414492"	510.264488	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+Na+K"	61.952376
"774390"	749.908638	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+Na+K"	61.952376
"1666834"	270.620338	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Na+K"	61.952376
"255056"	1022.592368	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+ACN+Na"	64.015768
"1228860"	543.304068	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+ACN+Na"	64.015768
"1716659"	543.327593	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+NH4+HCOOH"	64.039293
"1179826"	182.751984666667	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+3Na"	68.967654
"1652999"	548.282988	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Na+HCOOH"	68.994688
"160953"	1035.49564	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+2K-H"	76.91904
"597758"	1514.78394	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+2K-H"	76.91904
"1085392"	556.20734	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2K-H"	76.91904
"146219"	518.251458	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"2M+2K"	77.926316
"582864"	757.895608	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"3M+2K"	77.926316
"1070658"	278.607308	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2K"	77.926316
"1103502"	558.221892	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2K+H"	78.933592
"1337336"	558.309507	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+DMSO+H"	79.021207
"1006596"	562.348676	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2ACN+H"	83.060376
"1527639"	563.342308	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+IsoProp+Na+H"	84.054008
"997368"	281.677976	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+2ACN+2H"	84.067652
"1591872"	564.256928	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+K+HCOOH"	84.968628
"1416438"	594.288438	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+H+CF3COOH"	115.000138
"1147452"	302.191251	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+3ACN+2H"	125.094202
"1697734"	611.314985	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+NH4+CF3COOH"	132.026685
"1637401"	616.27038	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+Na+CF3COOH"	136.98208
"1579616"	632.24432	"C08675"	"Delcorine"	"C26H41NO7"	"479.2883"	"M+K+CF3COOH"	152.95602
"801918"	453.2727	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M"	0
"975493"	434.25431	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-H2O-H"	-19.01839
"67380"	301.174524	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M-3H"	-3.021828
"504756"	452.265424	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M-3H"	-3.021828
"883654"	150.083624	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-3H"	-3.021828
"3323"	452.265424	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M-2H"	-2.014552
"443977"	678.901774	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M-2H"	-2.014552
"823962"	225.629074	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-2H"	-2.014552
"87236"	905.538124	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M-H"	-1.007276
"522425"	1358.810824	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M-H"	-1.007276
"902414"	452.265424	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-H"	-1.007276
"50227"	922.564671	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M-2H+NH4"	16.019271
"497447"	1375.837371	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M-2H+NH4"	16.019271
"869779"	469.291971	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-2H+NH4"	16.019271
"43149"	927.520066	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M-2H+Na"	20.974666
"482712"	1380.792766	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M-2H+Na"	20.974666
"855044"	474.247366	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-2H+Na"	20.974666
"1619594"	474.247366	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Na-2H"	20.974666
"97825"	470.253763	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M-H+Cl"	33.962126
"540667"	696.890113	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M-H+Cl"	33.962126
"930902"	243.617413	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-H+Cl"	33.962126
"271646"	941.514802	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+Cl"	34.969402
"662122"	1394.787502	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+Cl"	34.969402
"1276472"	488.242102	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Cl"	34.969402
"24501"	943.494006	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M-2H+K"	36.948606
"461873"	1396.766706	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M-2H+K"	36.948606
"839675"	490.221306	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-2H+K"	36.948606
"1562072"	490.221306	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+K-2H"	36.948606
"951048"	498.270894	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-H+HCOOH"	44.998194
"370356"	951.543601	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+HCOOH-H"	44.998201
"349500"	965.559251	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+Hac-H"	59.013851
"1497239"	512.286551	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Hac-H"	59.013851
"960040"	520.252851	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-H+NaCOOH"	66.980151
"118431"	488.242102	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+2Cl"	69.938804
"559086"	714.878452	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+2Cl"	69.938804
"1028977"	261.605752	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2Cl"	69.938804
"1250746"	532.191585	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Br"	78.918885
"1312099"	534.247572	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Cl+HCOOH"	80.974872
"1328501"	556.229529	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Cl+NaCOOH"	102.956829
"917370"	566.258286	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M-H+CF3COOH"	112.985586
"1302466"	602.234964	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Cl+CF3COOH"	148.962264
"1380627"	418.260024	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H-2H2O"	-35.012676
"1396667"	436.27	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H-H2O"	-17.0027
"298054"	907.552676	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+H"	1.007276
"685129"	1360.825376	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+H"	1.007276
"1365733"	454.279976	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H"	1.007276
"140200"	454.279976	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+2H"	2.014552
"573926"	680.916326	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+2H"	2.014552
"1048561"	227.643626	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2H"	2.014552
"219015"	303.189076	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+3H"	3.021828
"649095"	454.279976	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+3H"	3.021828
"1174511"	152.098176	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+3H"	3.021828
"439486"	924.579223	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+NH4"	18.033823
"800482"	1377.851923	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+NH4"	18.033823
"1696208"	471.306523	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+NH4"	18.033823
"342663"	462.7932495	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+H+NH4"	19.041099
"733990"	689.4295995	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+H+NH4"	19.041099
"1485626"	236.1568995	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H+NH4"	19.041099
"401024"	929.534618	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+Na"	22.989218
"766390"	1382.807318	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+Na"	22.989218
"1609019"	476.261918	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Na"	22.989218
"321245"	465.270947	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+H+Na"	23.996494
"712571"	691.907297	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+H+Na"	23.996494
"1464568"	238.634597	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H+Na"	23.996494
"1055991"	159.42549	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2H+Na"	25.00377
"1266785"	486.306186	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+CH3OH+H"	33.033486
"383173"	945.508558	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+K"	38.963158
"743077"	1398.781258	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+K"	38.963158
"1542948"	492.235858	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+K"	38.963158
"304500"	473.257917	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+H+K"	39.970434
"693640"	699.894267	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+H+K"	39.970434
"1456211"	246.621567	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H+K"	39.970434
"245905"	948.579226	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+ACN+H"	42.033826
"1221894"	495.306526	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+ACN+H"	42.033826
"1205778"	248.156901	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+ACN+2H"	43.041102
"193184"	951.51656	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+2Na-H"	44.97116
"632753"	1404.78926	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+2Na-H"	44.97116
"1140628"	498.24386	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2Na-H"	44.97116
"177361"	476.261918	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+2Na"	45.978436
"619103"	702.898268	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+2Na"	45.978436
"1124796"	249.625568	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2Na"	45.978436
"1401757"	166.752804	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H+2Na"	46.985712
"1437157"	500.285446	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H+HCOOH"	47.012746
"227947"	481.29494	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+3H2O+2H"	56.04448
"1513820"	514.33749	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+IsoProp+H"	61.06479
"416787"	484.248888	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+Na+K"	61.952376
"776689"	710.885238	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+Na+K"	61.952376
"1668648"	257.612538	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Na+K"	61.952376
"258445"	970.561168	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+ACN+Na"	64.015768
"1228244"	517.288468	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+ACN+Na"	64.015768
"1716771"	517.311993	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+NH4+HCOOH"	64.039293
"1182124"	174.080118	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+3Na"	68.967654
"1654203"	522.267388	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Na+HCOOH"	68.994688
"159243"	983.46444	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+2K-H"	76.91904
"599042"	1436.73714	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+2K-H"	76.91904
"1088417"	530.19174	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2K-H"	76.91904
"146330"	492.235858	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"2M+2K"	77.926316
"585163"	718.872208	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"3M+2K"	77.926316
"1071497"	265.599508	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2K"	77.926316
"1103976"	532.206292	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2K+H"	78.933592
"1341093"	532.293907	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+DMSO+H"	79.021207
"1009624"	536.333076	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2ACN+H"	83.060376
"1526656"	537.326708	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+IsoProp+Na+H"	84.054008
"995291"	268.670176	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+2ACN+2H"	84.067652
"1590889"	538.241328	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+K+HCOOH"	84.968628
"1417640"	568.272838	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+H+CF3COOH"	115.000138
"1150119"	289.183451	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+3ACN+2H"	125.094202
"1700764"	585.299385	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+NH4+CF3COOH"	132.026685
"1637511"	590.25478	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+Na+CF3COOH"	136.98208
"1579726"	606.22872	"C08676"	"Delcosine"	"C24H39NO7"	"453.2727"	"M+K+CF3COOH"	152.95602
"806815"	599.3094	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M"	0
"975605"	580.29101	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-H2O-H"	-19.01839
"65309"	398.532324	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M-3H"	-3.021828
"508146"	598.302124	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M-3H"	-3.021828
"882667"	198.762524	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-3H"	-3.021828
"3797"	598.302124	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M-2H"	-2.014552
"446272"	897.956824	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M-2H"	-2.014552
"818604"	298.647424	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-2H"	-2.014552
"84067"	1197.611524	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M-H"	-1.007276
"524720"	1796.920924	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M-H"	-1.007276
"901429"	598.302124	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-H"	-1.007276
"50338"	1214.638071	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M-2H+NH4"	16.019271
"498650"	1813.947471	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M-2H+NH4"	16.019271
"867703"	615.328671	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-2H+NH4"	16.019271
"39978"	1219.593466	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M-2H+Na"	20.974666
"474071"	1818.902866	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M-2H+Na"	20.974666
"851875"	620.284066	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-2H+Na"	20.974666
"1618974"	620.284066	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Na-2H"	20.974666
"95744"	616.290463	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M-H+Cl"	33.962126
"536767"	915.945163	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M-H+Cl"	33.962126
"927729"	316.635763	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-H+Cl"	33.962126
"272849"	1233.588202	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+Cl"	34.969402
"661381"	1832.897602	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+Cl"	34.969402
"1280958"	634.278802	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Cl"	34.969402
"27526"	1235.567406	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M-2H+K"	36.948606
"459431"	1834.876806	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M-2H+K"	36.948606
"839785"	636.258006	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-2H+K"	36.948606
"1557805"	636.258006	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+K-2H"	36.948606
"951159"	644.307594	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-H+HCOOH"	44.998194
"363535"	1243.617001	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+HCOOH-H"	44.998201
"348876"	1257.632651	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+Hac-H"	59.013851
"1495526"	658.323251	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Hac-H"	59.013851
"966352"	666.289551	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-H+NaCOOH"	66.980151
"120727"	634.278802	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+2Cl"	69.938804
"560288"	933.933502	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+2Cl"	69.938804
"1027264"	334.624102	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2Cl"	69.938804
"1249759"	678.228285	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Br"	78.918885
"1315486"	680.284272	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Cl+HCOOH"	80.974872
"1331889"	702.266229	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Cl+NaCOOH"	102.956829
"919665"	712.294986	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M-H+CF3COOH"	112.985586
"1303546"	748.271664	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Cl+CF3COOH"	148.962264
"1376722"	564.296724	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H-2H2O"	-35.012676
"1398181"	582.3067	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H-H2O"	-17.0027
"297190"	1199.626076	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+H"	1.007276
"687791"	1798.935476	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+H"	1.007276
"1364869"	600.316676	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H"	1.007276
"139216"	600.316676	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+2H"	2.014552
"574768"	899.971376	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+2H"	2.014552
"1045025"	300.661976	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2H"	2.014552
"214021"	400.546876	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+3H"	3.021828
"653579"	600.316676	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+3H"	3.021828
"1172801"	200.777076	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+3H"	3.021828
"436801"	1216.652623	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+NH4"	18.033823
"796701"	1815.962023	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+NH4"	18.033823
"1694495"	617.343223	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+NH4"	18.033823
"343138"	608.8299495	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+H+NH4"	19.041099
"735558"	908.4846495	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+H+NH4"	19.041099
"1487921"	309.1752495	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H+NH4"	19.041099
"402224"	1221.608018	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+Na"	22.989218
"765407"	1820.917418	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+Na"	22.989218
"1606092"	622.298618	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Na"	22.989218
"316980"	611.307647	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+H+Na"	23.996494
"710493"	910.962347	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+H+Na"	23.996494
"1462493"	311.652947	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H+Na"	23.996494
"1058651"	208.10439	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2H+Na"	25.00377
"1261058"	632.342886	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+CH3OH+H"	33.033486
"380007"	1237.581958	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+K"	38.963158
"744291"	1836.891358	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+K"	38.963158
"1543063"	638.272558	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+K"	38.963158
"302423"	619.294617	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+H+K"	39.970434
"702502"	918.949317	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+H+K"	39.970434
"1457414"	319.639917	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H+K"	39.970434
"241643"	1240.652626	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+ACN+H"	42.033826
"1218725"	641.343226	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+ACN+H"	42.033826
"1204795"	321.175251	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+ACN+2H"	43.041102
"193300"	1243.58996	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+2Na-H"	44.97116
"635051"	1842.89936	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+2Na-H"	44.97116
"1136369"	644.28056	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2Na-H"	44.97116
"182936"	622.298618	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+2Na"	45.978436
"623588"	921.953318	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+2Na"	45.978436
"1125999"	322.643918	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2Na"	45.978436
"1409524"	215.431704	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H+2Na"	46.985712
"1437268"	646.322146	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H+HCOOH"	47.012746
"224774"	627.33164	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+3H2O+2H"	56.04448
"1513929"	660.37419	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+IsoProp+H"	61.06479
"416897"	630.285588	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+Na+K"	61.952376
"774610"	929.940288	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+Na+K"	61.952376
"1666573"	330.630888	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Na+K"	61.952376
"253211"	1262.634568	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+ACN+Na"	64.015768
"1234554"	663.325168	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+ACN+Na"	64.015768
"1713965"	663.348693	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+NH4+HCOOH"	64.039293
"1181141"	222.759018	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+3Na"	68.967654
"1652130"	668.304088	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Na+HCOOH"	68.994688
"158743"	1275.53784	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+2K-H"	76.91904
"599764"	1874.84724	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+2K-H"	76.91904
"1088530"	676.22844	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2K-H"	76.91904
"144984"	638.272558	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"2M+2K"	77.926316
"584180"	937.927258	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"3M+2K"	77.926316
"1073793"	338.617858	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2K"	77.926316
"1104089"	678.242992	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2K+H"	78.933592
"1338046"	678.330607	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+DMSO+H"	79.021207
"1007670"	682.369776	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2ACN+H"	83.060376
"1526767"	683.363408	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+IsoProp+Na+H"	84.054008
"994308"	341.688526	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+2ACN+2H"	84.067652
"1590999"	684.278028	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+K+HCOOH"	84.968628
"1416293"	714.309538	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+H+CF3COOH"	115.000138
"1150229"	362.201801	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+3ACN+2H"	125.094202
"1697836"	731.336085	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+NH4+CF3COOH"	132.026685
"1648559"	736.29148	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+Na+CF3COOH"	136.98208
"1579836"	752.26542	"C08677"	"Delphinine"	"C33H45NO9"	"599.3094"	"M+K+CF3COOH"	152.95602
"813484"	467.2883	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M"	0
"974987"	448.26991	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-H2O-H"	-19.01839
"65419"	310.518257333333	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M-3H"	-3.021828
"506433"	466.281024	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M-3H"	-3.021828
"882777"	154.755490666667	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-3H"	-3.021828
"3178"	466.281024	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M-2H"	-2.014552
"444559"	699.925174	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M-2H"	-2.014552
"817621"	232.636874	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-2H"	-2.014552
"83448"	933.569324	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M-H"	-1.007276
"524829"	1400.857624	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M-H"	-1.007276
"900446"	466.281024	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-H"	-1.007276
"48626"	950.595871	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M-2H+NH4"	16.019271
"497665"	1417.884171	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M-2H+NH4"	16.019271
"868906"	483.307571	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-2H+NH4"	16.019271
"40088"	955.551266	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M-2H+Na"	20.974666
"473088"	1422.839566	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M-2H+Na"	20.974666
"851985"	488.262966	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-2H+Na"	20.974666
"1619694"	488.262966	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Na-2H"	20.974666
"98406"	484.269363	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M-H+Cl"	33.962126
"537603"	717.913513	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M-H+Cl"	33.962126
"927433"	250.625213	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-H+Cl"	33.962126
"270407"	969.546002	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+Cl"	34.969402
"660642"	1436.834302	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+Cl"	34.969402
"1275962"	502.257702	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Cl"	34.969402
"25813"	971.525206	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M-2H+K"	36.948606
"462092"	1438.813506	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M-2H+K"	36.948606
"840989"	504.236906	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-2H+K"	36.948606
"1561194"	504.236906	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+K-2H"	36.948606
"947254"	512.286494	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-H+HCOOH"	44.998194
"362190"	979.574801	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+HCOOH-H"	44.998201
"349351"	993.590451	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+Hac-H"	59.013851
"1494177"	526.302151	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Hac-H"	59.013851
"959898"	534.268451	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-H+NaCOOH"	66.980151
"119744"	502.257702	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+2Cl"	69.938804
"561491"	735.901852	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+2Cl"	69.938804
"1026643"	268.613552	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2Cl"	69.938804
"1250962"	546.207185	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Br"	78.918885
"1315596"	548.263172	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Cl+HCOOH"	80.974872
"1331271"	570.245129	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Cl+NaCOOH"	102.956829
"923788"	580.273886	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M-H+CF3COOH"	112.985586
"1295392"	616.250564	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Cl+CF3COOH"	148.962264
"1373551"	432.275624	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H-2H2O"	-35.012676
"1396155"	450.2856	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H-H2O"	-17.0027
"288553"	935.583876	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+H"	1.007276
"688265"	1402.872176	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+H"	1.007276
"1366197"	468.295576	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H"	1.007276
"139325"	468.295576	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+2H"	2.014552
"575971"	701.939726	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+2H"	2.014552
"1047322"	234.651426	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2H"	2.014552
"218139"	312.532809333333	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+3H"	3.021828
"649315"	468.295576	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+3H"	3.021828
"1175098"	156.770042666667	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+3H"	3.021828
"439097"	952.610423	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+NH4"	18.033823
"796082"	1419.898723	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+NH4"	18.033823
"1692416"	485.322123	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+NH4"	18.033823
"340332"	476.8088495	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+H+NH4"	19.041099
"734939"	710.4529995	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+H+NH4"	19.041099
"1486939"	243.1646995	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H+NH4"	19.041099
"401242"	957.565818	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+Na"	22.989218
"764424"	1424.854118	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+Na"	22.989218
"1607053"	490.277518	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Na"	22.989218
"317089"	479.286547	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+H+Na"	23.996494
"711697"	712.930697	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+H+Na"	23.996494
"1462969"	245.642397	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H+Na"	23.996494
"1056574"	164.097356666667	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2H+Na"	25.00377
"1261534"	500.321786	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+CH3OH+H"	33.033486
"380117"	973.539758	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+K"	38.963158
"745493"	1440.828058	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+K"	38.963158
"1543533"	506.251458	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+K"	38.963158
"300706"	487.273517	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+H+K"	39.970434
"701518"	720.917667	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+H+K"	39.970434
"1450962"	253.629367	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H+K"	39.970434
"243939"	976.610426	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+ACN+H"	42.033826
"1216647"	509.322126	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+ACN+H"	42.033826
"1204905"	255.164701	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+ACN+2H"	43.041102
"198875"	979.54776	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+2Na-H"	44.97116
"636254"	1446.83606	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+2Na-H"	44.97116
"1143038"	512.25946	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2Na-H"	44.97116
"185596"	490.277518	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+2Na"	45.978436
"625520"	723.921668	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+2Na"	45.978436
"1126838"	256.633368	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2Na"	45.978436
"1411456"	171.424670666667	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H+2Na"	46.985712
"1441386"	514.301046	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H+HCOOH"	47.012746
"225977"	495.31054	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+3H2O+2H"	56.04448
"1510759"	528.35309	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+IsoProp+H"	61.06479
"418100"	498.264488	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+Na+K"	61.952376
"773627"	731.908638	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+Na+K"	61.952376
"1668143"	264.620338	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Na+K"	61.952376
"254660"	998.592368	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+ACN+Na"	64.015768
"1236850"	531.304068	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+ACN+Na"	64.015768
"1714804"	531.327593	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+NH4+HCOOH"	64.039293
"1182344"	178.751984666667	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+3Na"	68.967654
"1653333"	536.282988	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Na+HCOOH"	68.994688
"158003"	1011.49564	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+2K-H"	76.91904
"598781"	1478.78394	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+2K-H"	76.91904
"1086451"	544.20734	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2K-H"	76.91904
"147645"	506.251458	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"2M+2K"	77.926316
"586111"	739.895608	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"3M+2K"	77.926316
"1072809"	272.607308	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2K"	77.926316
"1105291"	546.221892	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2K+H"	78.933592
"1338397"	546.309507	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+DMSO+H"	79.021207
"1008752"	550.348676	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2ACN+H"	83.060376
"1526511"	551.342308	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+IsoProp+Na+H"	84.054008
"993325"	275.677976	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+2ACN+2H"	84.067652
"1593295"	552.256928	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+K+HCOOH"	84.968628
"1416038"	582.288438	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+H+CF3COOH"	115.000138
"1150339"	296.191251	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+3ACN+2H"	125.094202
"1698797"	599.314985	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+NH4+CF3COOH"	132.026685
"1648669"	604.27038	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+Na+CF3COOH"	136.98208
"1579946"	620.24432	"C08678"	"Delsoline"	"C25H41NO7"	"467.2883"	"M+K+CF3COOH"	152.95602
"812501"	507.2832	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M"	0
"974609"	488.26481	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-H2O-H"	-19.01839
"63138"	337.181524	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M-3H"	-3.021828
"506178"	506.275924	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M-3H"	-3.021828
"881429"	168.087124	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-3H"	-3.021828
"1464"	506.275924	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M-2H"	-2.014552
"444305"	759.917524	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M-2H"	-2.014552
"817731"	252.634324	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-2H"	-2.014552
"82098"	1013.559124	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M-H"	-1.007276
"521658"	1520.842324	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M-H"	-1.007276
"899461"	506.275924	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-H"	-1.007276
"50554"	1030.585671	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M-2H+NH4"	16.019271
"487562"	1537.868871	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M-2H+NH4"	16.019271
"864556"	523.302471	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-2H+NH4"	16.019271
"31811"	1035.541066	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M-2H+Na"	20.974666
"472346"	1542.824266	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M-2H+Na"	20.974666
"849908"	528.257866	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-2H+Na"	20.974666
"1618708"	528.257866	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Na-2H"	20.974666
"94311"	524.264263	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M-H+Cl"	33.962126
"534427"	777.905863	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M-H+Cl"	33.962126
"928192"	270.622663	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-H+Cl"	33.962126
"269424"	1049.535802	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+Cl"	34.969402
"660343"	1556.819002	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+Cl"	34.969402
"1274615"	542.252602	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Cl"	34.969402
"23736"	1051.515006	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M-2H+K"	36.948606
"462202"	1558.798206	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M-2H+K"	36.948606
"840369"	544.231806	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-2H+K"	36.948606
"1561669"	544.231806	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+K-2H"	36.948606
"946271"	552.281394	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-H+HCOOH"	44.998194
"362300"	1059.564601	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+HCOOH-H"	44.998201
"345753"	1073.580251	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+Hac-H"	59.013851
"1494652"	566.297051	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Hac-H"	59.013851
"958952"	574.263351	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-H+NaCOOH"	66.980151
"117667"	542.252602	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+2Cl"	69.938804
"556133"	795.894202	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+2Cl"	69.938804
"1032224"	288.611002	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2Cl"	69.938804
"1253261"	586.202085	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Br"	78.918885
"1315343"	588.258072	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Cl+HCOOH"	80.974872
"1332110"	610.240029	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Cl+NaCOOH"	102.956829
"923897"	620.268786	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M-H+CF3COOH"	112.985586
"1298418"	656.245464	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Cl+CF3COOH"	148.962264
"1380226"	472.270524	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H-2H2O"	-35.012676
"1394442"	490.2805	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H-H2O"	-17.0027
"294859"	1015.573676	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+H"	1.007276
"688374"	1522.856876	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+H"	1.007276
"1365454"	508.290476	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H"	1.007276
"139800"	508.290476	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+2H"	2.014552
"576446"	761.932076	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+2H"	2.014552
"1046339"	254.648876	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2H"	2.014552
"215335"	339.196076	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+3H"	3.021828
"658904"	508.290476	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+3H"	3.021828
"1171927"	170.101676	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+3H"	3.021828
"433011"	1032.600223	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+NH4"	18.033823
"795099"	1539.883423	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+NH4"	18.033823
"1690339"	525.317023	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+NH4"	18.033823
"336433"	516.8037495	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+H+NH4"	19.041099
"733226"	770.4453495	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+H+NH4"	19.041099
"1484862"	263.1621495	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H+NH4"	19.041099
"400259"	1037.555618	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+Na"	22.989218
"760160"	1544.838818	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+Na"	22.989218
"1607163"	530.272418	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Na"	22.989218
"316109"	519.281447	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+H+Na"	23.996494
"711807"	772.923047	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+H+Na"	23.996494
"1463806"	265.639847	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H+Na"	23.996494
"1056684"	177.42899	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2H+Na"	25.00377
"1260555"	540.316686	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+CH3OH+H"	33.033486
"380227"	1053.529558	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+K"	38.963158
"742324"	1560.812758	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+K"	38.963158
"1543279"	546.246358	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+K"	38.963158
"302638"	527.268417	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+H+K"	39.970434
"697254"	780.910017	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+H+K"	39.970434
"1451072"	273.626817	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H+K"	39.970434
"241863"	1056.600226	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+ACN+H"	42.033826
"1215664"	549.317026	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+ACN+H"	42.033826
"1201735"	275.162151	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+ACN+2H"	43.041102
"197892"	1059.53756	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+2Na-H"	44.97116
"637456"	1566.82076	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+2Na-H"	44.97116
"1141326"	552.25436	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2Na-H"	44.97116
"183519"	530.272418	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+2Na"	45.978436
"625631"	783.914018	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+2Na"	45.978436
"1126948"	276.630818	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2Na"	45.978436
"1409744"	184.756304	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H+2Na"	46.985712
"1441132"	554.295946	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H+HCOOH"	47.012746
"224993"	535.30544	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+3H2O+2H"	56.04448
"1511962"	568.34799	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+IsoProp+H"	61.06479
"410065"	538.259388	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+Na+K"	61.952376
"772644"	791.900988	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+Na+K"	61.952376
"1667881"	284.617788	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Na+K"	61.952376
"255494"	1078.582168	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+ACN+Na"	64.015768
"1227842"	571.298968	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+ACN+Na"	64.015768
"1714180"	571.322493	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+NH4+HCOOH"	64.039293
"1180625"	192.083618	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+3Na"	68.967654
"1651248"	576.277888	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Na+HCOOH"	68.994688
"157626"	1091.48544	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+2K-H"	76.91904
"598769"	1598.76864	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+2K-H"	76.91904
"1084737"	584.20224	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2K-H"	76.91904
"144472"	546.246358	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"2M+2K"	77.926316
"584033"	799.887958	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"3M+2K"	77.926316
"1069639"	292.604758	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2K"	77.926316
"1103215"	586.216792	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2K+H"	78.933592
"1337293"	586.304407	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+DMSO+H"	79.021207
"1006672"	590.343576	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2ACN+H"	83.060376
"1525162"	591.337208	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+IsoProp+Na+H"	84.054008
"991610"	295.675426	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+2ACN+2H"	84.067652
"1591217"	592.251828	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+K+HCOOH"	84.968628
"1416877"	622.283338	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+H+CF3COOH"	115.000138
"1150445"	316.188701	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+3ACN+2H"	125.094202
"1698177"	639.309885	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+NH4+CF3COOH"	132.026685
"1648779"	644.26528	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+Na+CF3COOH"	136.98208
"1576775"	660.23922	"C08679"	"Deltaline;Aconitane-610-diol 20-ethyl-4-methyl-78-(methylenebis(oxy))- 11416-trimethoxy- 6-acetate (1-alpha6-beta14-alpha16-beta)-"	"C27H41NO8"	"507.2832"	"M+K+CF3COOH"	152.95602
"810424"	343.2511	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M"	0
"977399"	324.23271	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-H2O-H"	-19.01839
"64181"	227.826790666667	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M-3H"	-3.021828
"504832"	342.243824	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M-3H"	-3.021828
"882275"	113.409757333333	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-3H"	-3.021828
"3762"	342.243824	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M-2H"	-2.014552
"443321"	513.869374	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M-2H"	-2.014552
"818942"	170.618274	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-2H"	-2.014552
"83304"	685.494924	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M-H"	-1.007276
"521769"	1028.746024	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M-H"	-1.007276
"899573"	342.243824	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-H"	-1.007276
"49817"	702.521471	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M-2H+NH4"	16.019271
"487636"	1045.772571	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M-2H+NH4"	16.019271
"864993"	359.270371	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-2H+NH4"	16.019271
"32777"	707.476866	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M-2H+Na"	20.974666
"473308"	1050.727966	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M-2H+Na"	20.974666
"852205"	364.225766	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-2H+Na"	20.974666
"1618902"	364.225766	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Na-2H"	20.974666
"96080"	360.232163	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M-H+Cl"	33.962126
"535029"	531.857713	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M-H+Cl"	33.962126
"933896"	188.606613	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-H+Cl"	33.962126
"267506"	721.471602	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+Cl"	34.969402
"667427"	1064.722702	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+Cl"	34.969402
"1280195"	378.220502	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Cl"	34.969402
"24209"	723.450806	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M-2H+K"	36.948606
"458302"	1066.701906	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M-2H+K"	36.948606
"840113"	380.199706	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-2H+K"	36.948606
"1561779"	380.199706	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+K-2H"	36.948606
"947110"	388.249294	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-H+HCOOH"	44.998194
"363868"	731.500401	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+HCOOH-H"	44.998201
"347388"	745.516051	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+Hac-H"	59.013851
"1495494"	402.264951	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Hac-H"	59.013851
"963404"	410.231251	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-H+NaCOOH"	66.980151
"115591"	378.220502	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+2Cl"	69.938804
"558433"	549.846052	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+2Cl"	69.938804
"1031604"	206.594952	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2Cl"	69.938804
"1253372"	422.169985	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Br"	78.918885
"1311444"	424.225972	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Cl+HCOOH"	80.974872
"1326388"	446.207929	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Cl+NaCOOH"	102.956829
"919998"	456.236686	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M-H+CF3COOH"	112.985586
"1295614"	492.213364	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Cl+CF3COOH"	148.962264
"1374869"	308.238424	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H-2H2O"	-35.012676
"1389085"	326.2484	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H-H2O"	-17.0027
"291688"	687.509476	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+H"	1.007276
"685569"	1030.760576	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+H"	1.007276
"1361553"	344.258376	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H"	1.007276
"135902"	344.258376	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+2H"	2.014552
"572183"	515.883926	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+2H"	2.014552
"1049731"	172.632826	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2H"	2.014552
"218724"	229.841342666667	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+3H"	3.021828
"655003"	344.258376	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+3H"	3.021828
"1170944"	115.424309333333	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+3H"	3.021828
"434214"	704.536023	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+NH4"	18.033823
"795212"	1047.787123	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+NH4"	18.033823
"1690448"	361.284923	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+NH4"	18.033823
"336539"	352.7716495	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+H+NH4"	19.041099
"731148"	524.3971995	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+H+NH4"	19.041099
"1483876"	181.1460995	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H+NH4"	19.041099
"397087"	709.491418	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+Na"	22.989218
"760272"	1052.742518	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+Na"	22.989218
"1604112"	366.240318	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Na"	22.989218
"315000"	355.249347	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+H+Na"	23.996494
"709008"	526.874897	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+H+Na"	23.996494
"1462214"	183.623797	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H+Na"	23.996494
"1053515"	122.751623333333	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2H+Na"	25.00377
"1262857"	376.284586	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+CH3OH+H"	33.033486
"382525"	725.465358	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+K"	38.963158
"740606"	1068.716458	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+K"	38.963158
"1542662"	382.214258	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+K"	38.963158
"300571"	363.236317	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+H+K"	39.970434
"694085"	534.861867	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+H+K"	39.970434
"1447903"	191.610767	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H+K"	39.970434
"238692"	728.536026	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+ACN+H"	42.033826
"1212494"	385.284926	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+ACN+H"	42.033826
"1196376"	193.146101	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+ACN+2H"	43.041102
"199830"	731.47336	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+2Na-H"	44.97116
"637564"	1074.72446	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+2Na-H"	44.97116
"1142893"	388.22226	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2Na-H"	44.97116
"184358"	366.240318	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+2Na"	45.978436
"620636"	537.865868	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+2Na"	45.978436
"1127061"	194.614768	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2Na"	45.978436
"1406578"	130.078937333333	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H+2Na"	46.985712
"1439055"	390.263846	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H+HCOOH"	47.012746
"230937"	371.27334	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+3H2O+2H"	56.04448
"1514260"	404.31589	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+IsoProp+H"	61.06479
"409569"	374.227288	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+Na+K"	61.952376
"771661"	545.852838	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+Na+K"	61.952376
"1667268"	202.601738	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Na+K"	61.952376
"252692"	750.517968	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+ACN+Na"	64.015768
"1231604"	407.266868	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+ACN+Na"	64.015768
"1716116"	407.290393	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+NH4+HCOOH"	64.039293
"1180012"	137.406251333333	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+3Na"	68.967654
"1656832"	412.245788	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Na+HCOOH"	68.994688
"165882"	763.42124	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+2K-H"	76.91904
"598878"	1106.67234	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+2K-H"	76.91904
"1091049"	420.17014	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2K-H"	76.91904
"147864"	382.214258	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"2M+2K"	77.926316
"587425"	553.839808	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"3M+2K"	77.926316
"1075220"	210.588708	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2K"	77.926316
"1102960"	422.184692	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2K+H"	78.933592
"1339348"	422.272307	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+DMSO+H"	79.021207
"1012252"	426.311476	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2ACN+H"	83.060376
"1525394"	427.305108	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+IsoProp+Na+H"	84.054008
"992450"	213.659376	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+2ACN+2H"	84.067652
"1589142"	428.219728	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+K+HCOOH"	84.968628
"1415895"	458.251238	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+H+CF3COOH"	115.000138
"1149466"	234.172651	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+3ACN+2H"	125.094202
"1697317"	475.277785	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+NH4+CF3COOH"	132.026685
"1642327"	480.23318	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+Na+CF3COOH"	136.98208
"1576885"	496.20712	"C08680"	"Denudatine"	"C22H33NO2"	"343.2511"	"M+K+CF3COOH"	152.95602
"813813"	694.3465	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M"	0
"978602"	675.32811	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-H2O-H"	-19.01839
"66844"	461.890390666667	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M-3H"	-3.021828
"506405"	693.339224	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M-3H"	-3.021828
"881169"	230.441557333333	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-3H"	-3.021828
"2053"	693.339224	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M-2H"	-2.014552
"449998"	1040.512474	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M-2H"	-2.014552
"825613"	346.165974	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-2H"	-2.014552
"83417"	1387.685724	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M-H"	-1.007276
"522978"	2082.032224	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M-H"	-1.007276
"901873"	693.339224	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-H"	-1.007276
"50777"	1404.712271	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M-2H+NH4"	16.019271
"489370"	2099.058771	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M-2H+NH4"	16.019271
"865954"	710.365771	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-2H+NH4"	16.019271
"33004"	1409.667666	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M-2H+Na"	20.974666
"471549"	2104.014166	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M-2H+Na"	20.974666
"849636"	715.321166	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-2H+Na"	20.974666
"1624037"	715.321166	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Na-2H"	20.974666
"98380"	711.327563	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M-H+Cl"	33.962126
"534900"	1058.500813	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M-H+Cl"	33.962126
"934735"	364.154313	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-H+Cl"	33.962126
"269281"	1423.662402	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+Cl"	34.969402
"661336"	2118.008902	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+Cl"	34.969402
"1280305"	729.315902	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Cl"	34.969402
"24685"	1425.641606	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M-2H+K"	36.948606
"464610"	2119.988106	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M-2H+K"	36.948606
"838036"	731.295106	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-2H+K"	36.948606
"1559702"	731.295106	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+K-2H"	36.948606
"946855"	739.344694	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-H+HCOOH"	44.998194
"363615"	1433.691201	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+HCOOH-H"	44.998201
"348233"	1447.706851	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+Hac-H"	59.013851
"1503629"	753.360351	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Hac-H"	59.013851
"966796"	761.326651	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-H+NaCOOH"	66.980151
"117891"	729.315902	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+2Cl"	69.938804
"561460"	1076.489152	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+2Cl"	69.938804
"1030625"	382.142652	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2Cl"	69.938804
"1252391"	773.265385	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Br"	78.918885
"1313741"	775.321372	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Cl+HCOOH"	80.974872
"1330144"	797.303329	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Cl+NaCOOH"	102.956829
"917923"	807.332086	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M-H+CF3COOH"	112.985586
"1293537"	843.308764	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Cl+CF3COOH"	148.962264
"1371332"	659.333824	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H-2H2O"	-35.012676
"1391019"	677.3438	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H-H2O"	-17.0027
"292164"	1389.700276	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+H"	1.007276
"685678"	2084.046776	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+H"	1.007276
"1358747"	695.353776	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H"	1.007276
"136740"	695.353776	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+2H"	2.014552
"574481"	1042.527026	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+2H"	2.014552
"1047655"	348.180526	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2H"	2.014552
"216652"	463.904942666667	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+3H"	3.021828
"657301"	695.353776	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+3H"	3.021828
"1172149"	232.456109333333	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+3H"	3.021828
"432140"	1406.726823	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+NH4"	18.033823
"790949"	2101.073323	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+NH4"	18.033823
"1689465"	712.380323	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+NH4"	18.033823
"337742"	703.8670495	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+H+NH4"	19.041099
"729073"	1051.0402995	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+H+NH4"	19.041099
"1485081"	356.6937995	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H+NH4"	19.041099
"397199"	1411.682218	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+Na"	22.989218
"760382"	2106.028718	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+Na"	22.989218
"1605194"	717.335718	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Na"	22.989218
"315473"	706.344747	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+H+Na"	23.996494
"710571"	1053.517997	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+H+Na"	23.996494
"1462814"	359.171497	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H+Na"	23.996494
"1053219"	239.783423333333	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2H+Na"	25.00377
"1261874"	727.379986	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+CH3OH+H"	33.033486
"380084"	1427.656158	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+K"	38.963158
"739623"	2122.002658	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+K"	38.963158
"1550066"	733.309658	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+K"	38.963158
"301777"	714.331717	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+H+K"	39.970434
"695290"	1061.504967	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+H+K"	39.970434
"1450202"	367.158467	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H+K"	39.970434
"243177"	1430.726826	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+ACN+H"	42.033826
"1211754"	736.380326	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+ACN+H"	42.033826
"1196487"	368.693801	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+ACN+2H"	43.041102
"202127"	1433.66416	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+2Na-H"	44.97116
"635490"	2128.01066	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+2Na-H"	44.97116
"1142279"	739.31766	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2Na-H"	44.97116
"181193"	717.335718	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+2Na"	45.978436
"620754"	1064.508968	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+2Na"	45.978436
"1119886"	370.162468	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2Na"	45.978436
"1407779"	247.110737333333	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H+2Na"	46.985712
"1438802"	741.359246	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H+HCOOH"	47.012746
"229589"	722.36874	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+3H2O+2H"	56.04448
"1515464"	755.41129	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+IsoProp+H"	61.06479
"414056"	725.322688	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+Na+K"	61.952376
"773959"	1072.495938	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+Na+K"	61.952376
"1666649"	378.149438	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Na+K"	61.952376
"256816"	1452.708768	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+ACN+Na"	64.015768
"1231716"	758.362268	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+ACN+Na"	64.015768
"1715496"	758.385793	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+NH4+HCOOH"	64.039293
"1183038"	254.438051333333	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+3Na"	68.967654
"1660225"	763.341188	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Na+HCOOH"	68.994688
"169275"	1465.61204	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+2K-H"	76.91904
"606648"	2159.95854	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+2K-H"	76.91904
"1094812"	771.26554	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2K-H"	76.91904
"150167"	733.309658	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"2M+2K"	77.926316
"589725"	1080.482908	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"3M+2K"	77.926316
"1075330"	386.136408	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2K"	77.926316
"1103070"	773.280092	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2K+H"	78.933592
"1341648"	773.367707	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+DMSO+H"	79.021207
"1010179"	777.406876	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2ACN+H"	83.060376
"1528304"	778.400508	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+IsoProp+Na+H"	84.054008
"992562"	389.207076	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+2ACN+2H"	84.067652
"1592536"	779.315128	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+K+HCOOH"	84.968628
"1419288"	809.346638	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+H+CF3COOH"	115.000138
"1150668"	409.720351	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+3ACN+2H"	125.094202
"1697428"	826.373185	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+NH4+CF3COOH"	132.026685
"1648999"	831.32858	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+Na+CF3COOH"	136.98208
"1574808"	847.30252	"C08681"	"Elatine;Aconitane-4-methanol 20-ethyl-78-(methylenebis(oxy))- 161416-tetramethoxy-2-(3-methyl-25-dioxo-1-pyrrolidinyl)benzoate(ester) (1-alpha6-beta14-alpha16-beta)-"	"C38H50N2O10"	"694.3465"	"M+K+CF3COOH"	152.95602
"816398"	449.2777	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M"	0
"976887"	430.25931	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-H2O-H"	-19.01839
"65859"	298.511190666667	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M-3H"	-3.021828
"505418"	448.270424	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M-3H"	-3.021828
"888693"	148.751957333333	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-3H"	-3.021828
"9454"	448.270424	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M-2H"	-2.014552
"444640"	672.909274	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M-2H"	-2.014552
"827911"	223.631574	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-2H"	-2.014552
"85714"	897.548124	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M-H"	-1.007276
"526368"	1346.825824	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M-H"	-1.007276
"900889"	448.270424	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-H"	-1.007276
"50890"	914.574671	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M-2H+NH4"	16.019271
"489359"	1363.852371	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M-2H+NH4"	16.019271
"867161"	465.296971	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-2H+NH4"	16.019271
"33970"	919.530066	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M-2H+Na"	20.974666
"474624"	1368.807766	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M-2H+Na"	20.974666
"853520"	470.252366	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-2H+Na"	20.974666
"1626336"	470.252366	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Na-2H"	20.974666
"100677"	466.258763	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M-H+Cl"	33.962126
"536954"	690.897613	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M-H+Cl"	33.962126
"935938"	241.619913	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-H+Cl"	33.962126
"271215"	933.524802	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+Cl"	34.969402
"662906"	1382.802502	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+Cl"	34.969402
"1282603"	484.247102	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Cl"	34.969402
"26254"	935.504006	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M-2H+K"	36.948606
"465814"	1384.781706	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M-2H+K"	36.948606
"841428"	486.226306	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-2H+K"	36.948606
"1559813"	486.226306	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+K-2H"	36.948606
"948425"	494.275894	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-H+HCOOH"	44.998194
"362271"	943.553601	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+HCOOH-H"	44.998201
"350529"	957.569251	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+Hac-H"	59.013851
"1503739"	508.291551	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Hac-H"	59.013851
"966906"	516.257851	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-H+NaCOOH"	66.980151
"119823"	484.247102	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+2Cl"	69.938804
"561571"	708.885952	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+2Cl"	69.938804
"1033651"	259.608252	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2Cl"	69.938804
"1252501"	528.196585	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Br"	78.918885
"1314944"	530.252572	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Cl+HCOOH"	80.974872
"1330254"	552.234529	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Cl+NaCOOH"	102.956829
"919126"	562.263286	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M-H+CF3COOH"	112.985586
"1295834"	598.239964	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Cl+CF3COOH"	148.962264
"1370715"	414.265024	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H-2H2O"	-35.012676
"1392951"	432.275	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H-H2O"	-17.0027
"290085"	899.562676	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+H"	1.007276
"680319"	1348.840376	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+H"	1.007276
"1355577"	450.284976	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H"	1.007276
"133934"	450.284976	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+2H"	2.014552
"579330"	674.923826	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+2H"	2.014552
"1048495"	225.646126	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2H"	2.014552
"216762"	300.525742666667	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+3H"	3.021828
"658142"	450.284976	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+3H"	3.021828
"1172256"	150.766509333333	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+3H"	3.021828
"435529"	916.589223	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+NH4"	18.033823
"795433"	1365.866923	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+NH4"	18.033823
"1689575"	467.311523	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+NH4"	18.033823
"337851"	458.7982495	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+H+NH4"	19.041099
"726996"	683.4370995	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+H+NH4"	19.041099
"1480816"	234.1593995	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H+NH4"	19.041099
"394028"	921.544618	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+Na"	22.989218
"760493"	1370.822318	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+Na"	22.989218
"1604580"	472.266918	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Na"	22.989218
"318623"	461.275947	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+H+Na"	23.996494
"710317"	685.914797	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+H+Na"	23.996494
"1469246"	236.637097	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H+Na"	23.996494
"1056294"	158.093823333333	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2H+Na"	25.00377
"1261255"	482.311186	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+CH3OH+H"	33.033486
"381650"	937.518558	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+K"	38.963158
"745933"	1386.796258	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+K"	38.963158
"1542517"	488.240858	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+K"	38.963158
"304071"	469.262917	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+H+K"	39.970434
"696491"	693.901767	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+H+K"	39.970434
"1451404"	244.624067	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H+K"	39.970434
"241099"	940.589226	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+ACN+H"	42.033826
"1211622"	491.311526	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+ACN+H"	42.033826
"1195626"	246.159401	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+ACN+2H"	43.041102
"198226"	943.52656	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+2Na-H"	44.97116
"643502"	1392.80426	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+2Na-H"	44.97116
"1146282"	494.24886	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2Na-H"	44.97116
"187016"	472.266918	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+2Na"	45.978436
"623780"	696.905768	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+2Na"	45.978436
"1128746"	247.628068	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2Na"	45.978436
"1408988"	165.421137333333	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H+2Na"	46.985712
"1441101"	496.290446	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H+HCOOH"	47.012746
"227513"	477.29994	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+3H2O+2H"	56.04448
"1515574"	510.34249	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+IsoProp+H"	61.06479
"414168"	480.253888	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+Na+K"	61.952376
"775162"	704.892738	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+Na+K"	61.952376
"1670406"	255.615038	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Na+K"	61.952376
"259115"	962.571168	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+ACN+Na"	64.015768
"1235109"	513.293468	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+ACN+Na"	64.015768
"1718524"	513.316993	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+NH4+HCOOH"	64.039293
"1182784"	172.748451333333	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+3Na"	68.967654
"1662525"	518.272388	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Na+HCOOH"	68.994688
"169385"	975.47444	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+2K-H"	76.91904
"605667"	1424.75214	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+2K-H"	76.91904
"1096017"	526.19674	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2K-H"	76.91904
"149183"	488.240858	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"2M+2K"	77.926316
"590931"	712.879708	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"3M+2K"	77.926316
"1077628"	263.602008	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2K"	77.926316
"1106462"	528.211292	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2K+H"	78.933592
"1345037"	528.298907	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+DMSO+H"	79.021207
"1013570"	532.338076	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2ACN+H"	83.060376
"1532786"	533.331708	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+IsoProp+Na+H"	84.054008
"997046"	266.672676	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+2ACN+2H"	84.067652
"1593739"	534.246328	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+K+HCOOH"	84.968628
"1424867"	564.277838	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+H+CF3COOH"	115.000138
"1155155"	287.185951	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+3ACN+2H"	125.094202
"1699603"	581.304385	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+NH4+CF3COOH"	132.026685
"1648016"	586.25978	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+Na+CF3COOH"	136.98208
"1573095"	602.23372	"C08682"	"Erythrophleguine"	"C25H39NO6"	"449.2777"	"M+K+CF3COOH"	152.95602
"812940"	629.32	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M"	0
"977728"	610.30161	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-H2O-H"	-19.01839
"70345"	418.539390666667	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M-3H"	-3.021828
"504799"	628.312724	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M-3H"	-3.021828
"880091"	208.766057333333	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-3H"	-3.021828
"12846"	628.312724	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M-2H"	-2.014552
"454595"	942.972724	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M-2H"	-2.014552
"831670"	313.652724	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-2H"	-2.014552
"86921"	1257.632724	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M-H"	-1.007276
"528666"	1886.952724	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M-H"	-1.007276
"901000"	628.312724	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-H"	-1.007276
"52097"	1274.659271	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M-2H+NH4"	16.019271
"492751"	1903.979271	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M-2H+NH4"	16.019271
"867273"	645.339271	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-2H+NH4"	16.019271
"32985"	1279.614666	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M-2H+Na"	20.974666
"475828"	1908.934666	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M-2H+Na"	20.974666
"854722"	650.294666	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-2H+Na"	20.974666
"1632888"	650.294666	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Na-2H"	20.974666
"104069"	646.301063	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M-H+Cl"	33.962126
"546911"	960.961063	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M-H+Cl"	33.962126
"939330"	331.641063	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-H+Cl"	33.962126
"276793"	1293.609402	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+Cl"	34.969402
"669215"	1922.929402	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+Cl"	34.969402
"1281622"	664.289402	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Cl"	34.969402
"20899"	1295.588606	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M-2H+K"	36.948606
"464832"	1924.908606	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M-2H+K"	36.948606
"843726"	666.268606	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-2H+K"	36.948606
"1567214"	666.268606	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+K-2H"	36.948606
"950722"	674.318194	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-H+HCOOH"	44.998194
"370768"	1303.638201	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+HCOOH-H"	44.998201
"352830"	1317.653851	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+Hac-H"	59.013851
"1507132"	688.333851	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Hac-H"	59.013851
"972486"	696.300151	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-H+NaCOOH"	66.980151
"120299"	664.289402	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+2Cl"	69.938804
"557673"	978.949402	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+2Cl"	69.938804
"1036071"	349.629402	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2Cl"	69.938804
"1254433"	708.238885	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Br"	78.918885
"1315058"	710.294872	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Cl+HCOOH"	80.974872
"1331461"	732.276829	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Cl+NaCOOH"	102.956829
"922518"	742.305586	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M-H+CF3COOH"	112.985586
"1295946"	778.282264	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Cl+CF3COOH"	148.962264
"1375200"	594.307324	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H-2H2O"	-35.012676
"1391603"	612.3173	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H-H2O"	-17.0027
"292019"	1259.647276	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+H"	1.007276
"682617"	1888.967276	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+H"	1.007276
"1356780"	630.327276	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H"	1.007276
"134044"	630.327276	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+2H"	2.014552
"577619"	944.987276	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+2H"	2.014552
"1049333"	315.667276	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2H"	2.014552
"216503"	420.553942666667	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+3H"	3.021828
"656064"	630.327276	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+3H"	3.021828
"1171279"	210.780609333333	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+3H"	3.021828
"436368"	1276.673823	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+NH4"	18.033823
"796636"	1905.993823	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+NH4"	18.033823
"1689687"	647.353823	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+NH4"	18.033823
"336874"	638.8405495	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+H+NH4"	19.041099
"728202"	953.5005495	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+H+NH4"	19.041099
"1483114"	324.1805495	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H+NH4"	19.041099
"395232"	1281.629218	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+Na"	22.989218
"760603"	1910.949218	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+Na"	22.989218
"1604687"	652.309218	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Na"	22.989218
"315818"	641.318247	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+H+Na"	23.996494
"710063"	955.978247	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+H+Na"	23.996494
"1468267"	326.658247	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H+Na"	23.996494
"1059323"	218.107923333333	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2H+Na"	25.00377
"1261004"	662.353486	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+CH3OH+H"	33.033486
"380671"	1297.603158	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+K"	38.963158
"741670"	1926.923158	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+K"	38.963158
"1547007"	668.283158	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+K"	38.963158
"306371"	649.305217	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+H+K"	39.970434
"697699"	963.965217	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+H+K"	39.970434
"1451516"	334.645217	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H+K"	39.970434
"235748"	1300.673826	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+ACN+H"	42.033826
"1209914"	671.353826	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+ACN+H"	42.033826
"1194437"	336.180551	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+ACN+2H"	43.041102
"203202"	1303.61116	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+2Na-H"	44.97116
"640450"	1932.93116	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+2Na-H"	44.97116
"1146842"	674.29116	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2Na-H"	44.97116
"188436"	652.309218	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+2Na"	45.978436
"626444"	966.969218	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+2Na"	45.978436
"1130565"	337.649218	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2Na"	45.978436
"1408006"	225.435237333333	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H+2Na"	46.985712
"1434653"	676.332746	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H+HCOOH"	47.012746
"227627"	657.34224	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+3H2O+2H"	56.04448
"1515688"	690.38479	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+IsoProp+H"	61.06479
"414277"	660.296188	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+Na+K"	61.952376
"775273"	974.956188	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+Na+K"	61.952376
"1667235"	345.636188	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Na+K"	61.952376
"254850"	1322.655768	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+ACN+Na"	64.015768
"1235217"	693.335768	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+ACN+Na"	64.015768
"1723010"	693.359293	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+NH4+HCOOH"	64.039293
"1180100"	232.762551333333	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+3Na"	68.967654
"1662631"	698.314688	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Na+HCOOH"	68.994688
"167680"	1335.55904	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+2K-H"	76.91904
"606874"	1964.87904	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+2K-H"	76.91904
"1091388"	706.23904	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2K-H"	76.91904
"149296"	668.283158	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"2M+2K"	77.926316
"586669"	982.943158	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"3M+2K"	77.926316
"1073364"	353.623158	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2K"	77.926316
"1104386"	708.253592	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2K+H"	78.933592
"1344053"	708.341207	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+DMSO+H"	79.021207
"1015870"	712.380376	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2ACN+H"	83.060376
"1538369"	713.374008	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+IsoProp+Na+H"	84.054008
"996067"	356.693826	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+2ACN+2H"	84.067652
"1600415"	714.288628	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+K+HCOOH"	84.968628
"1426073"	744.320138	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+H+CF3COOH"	115.000138
"1151985"	377.207101	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+3ACN+2H"	125.094202
"1701535"	761.346685	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+NH4+CF3COOH"	132.026685
"1641564"	766.30208	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+Na+CF3COOH"	136.98208
"1575028"	782.27602	"C08683"	"Falaconitine"	"C34H47NO10"	"629.32"	"M+K+CF3COOH"	152.95602
"814144"	630.3152	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M"	0
"987679"	611.29681	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-H2O-H"	-19.01839
"67171"	419.202857333333	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M-3H"	-3.021828
"505639"	629.307924	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M-3H"	-3.021828
"881254"	209.097790666667	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-3H"	-3.021828
"12956"	629.307924	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M-2H"	-2.014552
"455194"	944.465524	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M-2H"	-2.014552
"831658"	314.150324	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-2H"	-2.014552
"89948"	1259.623124	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M-H"	-1.007276
"529506"	1889.938324	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M-H"	-1.007276
"906578"	629.307924	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-H"	-1.007276
"54394"	1276.649671	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M-2H+NH4"	16.019271
"492861"	1906.964871	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M-2H+NH4"	16.019271
"876131"	646.334471	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-2H+NH4"	16.019271
"37471"	1281.605066	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M-2H+Na"	20.974666
"478125"	1911.920266	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M-2H+Na"	20.974666
"855927"	651.289866	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-2H+Na"	20.974666
"1629839"	651.289866	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Na-2H"	20.974666
"103087"	647.296263	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M-H+Cl"	33.962126
"538639"	962.453863	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M-H+Cl"	33.962126
"933976"	332.138663	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-H+Cl"	33.962126
"274720"	1295.599802	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+Cl"	34.969402
"671515"	1925.915002	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+Cl"	34.969402
"1278454"	665.284602	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Cl"	34.969402
"18822"	1297.579006	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M-2H+K"	36.948606
"459476"	1927.894206	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M-2H+K"	36.948606
"836185"	667.263806	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-2H+K"	36.948606
"1561859"	667.263806	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+K-2H"	36.948606
"951930"	675.313394	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-H+HCOOH"	44.998194
"371242"	1305.628601	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+HCOOH-H"	44.998201
"352940"	1319.644251	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+Hac-H"	59.013851
"1506878"	689.329051	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Hac-H"	59.013851
"967130"	697.295351	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-H+NaCOOH"	66.980151
"123690"	665.284602	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+2Cl"	69.938804
"563859"	980.442202	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+2Cl"	69.938804
"1028769"	350.127002	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2Cl"	69.938804
"1255274"	709.234085	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Br"	78.918885
"1318816"	711.290072	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Cl+HCOOH"	80.974872
"1333032"	733.272029	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Cl+NaCOOH"	102.956829
"921537"	743.300786	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M-H+CF3COOH"	112.985586
"1297152"	779.277464	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Cl+CF3COOH"	148.962264
"1380415"	595.302524	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H-2H2O"	-35.012676
"1394994"	613.3125	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H-H2O"	-17.0027
"295410"	1261.637676	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+H"	1.007276
"686008"	1891.952876	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+H"	1.007276
"1359077"	631.322476	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H"	1.007276
"138529"	631.322476	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+2H"	2.014552
"578823"	946.480076	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+2H"	2.014552
"1051753"	316.164876	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2H"	2.014552
"219887"	421.217409333333	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+3H"	3.021828
"657269"	631.322476	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+3H"	3.021828
"1171388"	211.112342666667	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+3H"	3.021828
"434657"	1278.664223	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+NH4"	18.033823
"794562"	1908.979423	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+NH4"	18.033823
"1688704"	648.349023	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+NH4"	18.033823
"336255"	639.8357495	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+H+NH4"	19.041099
"728312"	954.9933495	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+H+NH4"	19.041099
"1484318"	324.6781495	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H+NH4"	19.041099
"397529"	1283.619618	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+Na"	22.989218
"760712"	1913.934818	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+Na"	22.989218
"1603461"	653.304418	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Na"	22.989218
"317022"	642.313447	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+H+Na"	23.996494
"709079"	957.471047	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+H+Na"	23.996494
"1469470"	327.155847	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H+Na"	23.996494
"1059432"	218.439656666667	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2H+Na"	25.00377
"1263300"	663.348686	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+CH3OH+H"	33.033486
"382968"	1299.593558	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+K"	38.963158
"742873"	1929.908758	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+K"	38.963158
"1550397"	669.278358	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+K"	38.963158
"309761"	650.300417	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+H+K"	39.970434
"698901"	965.458017	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+H+K"	39.970434
"1452720"	335.142817	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H+K"	39.970434
"236944"	1302.664226	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+ACN+H"	42.033826
"1211111"	672.349026	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+ACN+H"	42.033826
"1194425"	336.678151	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+ACN+2H"	43.041102
"204028"	1305.60156	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+2Na-H"	44.97116
"638738"	1935.91676	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+2Na-H"	44.97116
"1145899"	675.28636	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2Na-H"	44.97116
"187610"	653.304418	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+2Na"	45.978436
"626433"	968.462018	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+2Na"	45.978436
"1126781"	338.146818	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2Na"	45.978436
"1413100"	225.766970666667	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H+2Na"	46.985712
"1438044"	677.327946	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H+HCOOH"	47.012746
"227738"	658.33744	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+3H2O+2H"	56.04448
"1517985"	691.37999	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+IsoProp+H"	61.06479
"418764"	661.291388	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+Na+K"	61.952376
"776477"	976.448988	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+Na+K"	61.952376
"1666617"	346.133788	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Na+K"	61.952376
"252770"	1324.646168	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+ACN+Na"	64.015768
"1237514"	694.330968	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+ACN+Na"	64.015768
"1724213"	694.354493	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+NH4+HCOOH"	64.039293
"1183005"	233.094284666667	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+3Na"	68.967654
"1661650"	699.309888	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Na+HCOOH"	68.994688
"167789"	1337.54944	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+2K-H"	76.91904
"608079"	1967.86464	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+2K-H"	76.91904
"1092590"	707.23424	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2K-H"	76.91904
"148315"	669.278358	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"2M+2K"	77.926316
"587873"	984.435958	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"3M+2K"	77.926316
"1076754"	354.120758	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2K"	77.926316
"1106683"	709.248792	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2K+H"	78.933592
"1344163"	709.336407	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+DMSO+H"	79.021207
"1013793"	713.375576	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2ACN+H"	83.060376
"1536292"	714.369208	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+IsoProp+Na+H"	84.054008
"999460"	357.191426	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+2ACN+2H"	84.067652
"1596146"	715.283828	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+K+HCOOH"	84.968628
"1426183"	745.315338	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+H+CF3COOH"	115.000138
"1155377"	377.704701	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+3ACN+2H"	125.094202
"1702740"	762.341885	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+NH4+CF3COOH"	132.026685
"1637297"	767.29728	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+Na+CF3COOH"	136.98208
"1576231"	783.27122	"C08684"	"Finaconitine"	"C33H46N2O10"	"630.3152"	"M+K+CF3COOH"	152.95602
"813161"	343.2511	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M"	0
"981227"	324.23271	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-H2O-H"	-19.01839
"64243"	227.826790666667	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M-3H"	-3.021828
"505749"	342.243824	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M-3H"	-3.021828
"881364"	113.409757333333	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-3H"	-3.021828
"14897"	342.243824	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M-2H"	-2.014552
"455062"	513.869374	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M-2H"	-2.014552
"832017"	170.618274	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-2H"	-2.014552
"90422"	685.494924	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M-H"	-1.007276
"531073"	1028.746024	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M-H"	-1.007276
"907781"	342.243824	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-H"	-1.007276
"54504"	702.521471	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M-2H+NH4"	16.019271
"490784"	1045.772571	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M-2H+NH4"	16.019271
"876241"	359.270371	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-2H+NH4"	16.019271
"37581"	707.476866	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M-2H+Na"	20.974666
"478235"	1050.727966	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M-2H+Na"	20.974666
"856037"	364.225766	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-2H+Na"	20.974666
"1632136"	364.225766	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Na-2H"	20.974666
"103197"	360.232163	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M-H+Cl"	33.962126
"537654"	531.857713	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M-H+Cl"	33.962126
"934086"	188.606613	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-H+Cl"	33.962126
"275923"	721.471602	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+Cl"	34.969402
"665065"	1064.722702	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+Cl"	34.969402
"1282939"	378.220502	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Cl"	34.969402
"17838"	723.450806	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M-2H+K"	36.948606
"457033"	1066.701906	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M-2H+K"	36.948606
"834472"	380.199706	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-2H+K"	36.948606
"1560875"	380.199706	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+K-2H"	36.948606
"947664"	388.249294	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-H+HCOOH"	44.998194
"371352"	731.500401	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+HCOOH-H"	44.998201
"349766"	745.516051	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+Hac-H"	59.013851
"1497508"	402.264951	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Hac-H"	59.013851
"971612"	410.231251	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-H+NaCOOH"	66.980151
"122706"	378.220502	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+2Cl"	69.938804
"560080"	549.846052	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+2Cl"	69.938804
"1028880"	206.594952	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2Cl"	69.938804
"1256112"	422.169985	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Br"	78.918885
"1319290"	424.225972	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Cl+HCOOH"	80.974872
"1333506"	446.207929	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Cl+NaCOOH"	102.956829
"921647"	456.236686	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M-H+CF3COOH"	112.985586
"1300542"	492.213364	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Cl+CF3COOH"	148.962264
"1381981"	308.238424	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H-2H2O"	-35.012676
"1397291"	326.2484	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H-H2O"	-17.0027
"297709"	687.509476	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+H"	1.007276
"689399"	1030.760576	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+H"	1.007276
"1364656"	344.258376	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H"	1.007276
"138639"	344.258376	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+2H"	2.014552
"580759"	515.883926	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+2H"	2.014552
"1052106"	172.632826	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2H"	2.014552
"219524"	229.841342666667	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+3H"	3.021828
"657014"	344.258376	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+3H"	3.021828
"1172591"	115.424309333333	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+3H"	3.021828
"432584"	704.536023	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+NH4"	18.033823
"794671"	1047.787123	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+NH4"	18.033823
"1689907"	361.284923	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+NH4"	18.033823
"338187"	352.7716495	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+H+NH4"	19.041099
"729516"	524.3971995	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+H+NH4"	19.041099
"1485520"	181.1460995	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H+NH4"	19.041099
"400917"	709.491418	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+Na"	22.989218
"761916"	1052.742518	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+Na"	22.989218
"1604181"	366.240318	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Na"	22.989218
"317861"	355.249347	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+H+Na"	23.996494
"709068"	526.874897	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+H+Na"	23.996494
"1469580"	183.623797	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H+Na"	23.996494
"1060635"	122.751623333333	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2H+Na"	25.00377
"1262317"	376.284586	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+CH3OH+H"	33.033486
"383078"	725.465358	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+K"	38.963158
"742983"	1068.716458	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+K"	38.963158
"1550507"	382.214258	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+K"	38.963158
"306592"	363.236317	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+H+K"	39.970434
"696826"	534.861867	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+H+K"	39.970434
"1450643"	191.610767	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H+K"	39.970434
"236325"	728.536026	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+ACN+H"	42.033826
"1210369"	385.284926	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+ACN+H"	42.033826
"1194657"	193.146101	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+ACN+2H"	43.041102
"203545"	731.47336	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+2Na-H"	44.97116
"640305"	1074.72446	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+2Na-H"	44.97116
"1145762"	388.22226	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2Na-H"	44.97116
"185646"	366.240318	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+2Na"	45.978436
"626785"	537.865868	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+2Na"	45.978436
"1127617"	194.614768	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2Na"	45.978436
"1408952"	130.078937333333	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H+2Na"	46.985712
"1437059"	390.263846	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H+HCOOH"	47.012746
"223837"	371.27334	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+3H2O+2H"	56.04448
"1515909"	404.31589	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+IsoProp+H"	61.06479
"415593"	374.227288	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+Na+K"	61.952376
"773307"	545.852838	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+Na+K"	61.952376
"1667456"	202.601738	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Na+K"	61.952376
"251788"	750.517968	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+ACN+Na"	64.015768
"1236530"	407.266868	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+ACN+Na"	64.015768
"1719948"	407.290393	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+NH4+HCOOH"	64.039293
"1183115"	137.406251333333	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+3Na"	68.967654
"1662852"	412.245788	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Na+HCOOH"	68.994688
"167525"	763.42124	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+2K-H"	76.91904
"607094"	1106.67234	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+2K-H"	76.91904
"1091606"	420.17014	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2K-H"	76.91904
"149515"	382.214258	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"2M+2K"	77.926316
"589077"	553.839808	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"3M+2K"	77.926316
"1076864"	210.588708	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2K"	77.926316
"1106793"	422.184692	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2K+H"	78.933592
"1343180"	422.272307	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+DMSO+H"	79.021207
"1012809"	426.311476	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2ACN+H"	83.060376
"1536402"	427.305108	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+IsoProp+Na+H"	84.054008
"998476"	213.659376	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+2ACN+2H"	84.067652
"1595163"	428.219728	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+K+HCOOH"	84.968628
"1427386"	458.251238	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+H+CF3COOH"	115.000138
"1155487"	234.172651	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+3ACN+2H"	125.094202
"1702850"	475.277785	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+NH4+CF3COOH"	132.026685
"1637407"	480.23318	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+Na+CF3COOH"	136.98208
"1576341"	496.20712	"C08685"	"Garryine"	"C22H33NO2"	"343.2511"	"M+K+CF3COOH"	152.95602
"814364"	391.2359	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M"	0
"984617"	372.21751	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-H2O-H"	-19.01839
"70673"	259.816657333333	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M-3H"	-3.021828
"508045"	390.228624	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M-3H"	-3.021828
"880378"	129.404690666667	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-3H"	-3.021828
"15558"	390.228624	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M-2H"	-2.014552
"455415"	585.846574	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M-2H"	-2.014552
"831393"	194.610674	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-2H"	-2.014552
"90533"	781.464524	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M-H"	-1.007276
"528999"	1172.700424	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M-H"	-1.007276
"906435"	390.228624	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-H"	-1.007276
"54614"	798.491071	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M-2H+NH4"	16.019271
"495269"	1189.726971	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M-2H+NH4"	16.019271
"876351"	407.255171	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-2H+NH4"	16.019271
"37691"	803.446466	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M-2H+Na"	20.974666
"478345"	1194.682366	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M-2H+Na"	20.974666
"856145"	412.210566	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-2H+Na"	20.974666
"1631153"	412.210566	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Na-2H"	20.974666
"103307"	408.216963	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M-H+Cl"	33.962126
"537765"	603.834913	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M-H+Cl"	33.962126
"932373"	212.599013	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-H+Cl"	33.962126
"272753"	817.441202	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+Cl"	34.969402
"666268"	1208.677102	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+Cl"	34.969402
"1285235"	426.205302	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Cl"	34.969402
"19043"	819.420406	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M-2H+K"	36.948606
"457264"	1210.656306	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M-2H+K"	36.948606
"834582"	428.184506	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-2H+K"	36.948606
"1560985"	428.184506	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+K-2H"	36.948606
"947774"	436.234094	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-H+HCOOH"	44.998194
"371462"	827.470001	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+HCOOH-H"	44.998201
"352065"	841.485651	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+Hac-H"	59.013851
"1497618"	450.249751	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Hac-H"	59.013851
"969171"	458.216051	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-H+NaCOOH"	66.980151
"122451"	426.205302	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+2Cl"	69.938804
"562012"	621.823252	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+2Cl"	69.938804
"1033364"	230.587352	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2Cl"	69.938804
"1257027"	470.154785	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Br"	78.918885
"1318675"	472.210772	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Cl+HCOOH"	80.974872
"1335077"	494.192729	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Cl+NaCOOH"	102.956829
"925038"	504.221486	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M-H+CF3COOH"	112.985586
"1301746"	540.198164	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Cl+CF3COOH"	148.962264
"1379541"	356.223224	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H-2H2O"	-35.012676
"1395944"	374.2332	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H-H2O"	-17.0027
"298185"	783.479076	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+H"	1.007276
"688052"	1174.714976	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+H"	1.007276
"1364402"	392.243176	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H"	1.007276
"138021"	392.243176	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+2H"	2.014552
"580501"	587.861126	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+2H"	2.014552
"1051851"	196.625226	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2H"	2.014552
"219634"	261.831209333333	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+3H"	3.021828
"655666"	392.243176	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+3H"	3.021828
"1173795"	131.419242666667	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+3H"	3.021828
"432694"	800.505623	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+NH4"	18.033823
"792596"	1191.741523	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+NH4"	18.033823
"1688924"	409.269723	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+NH4"	18.033823
"336111"	400.7564495	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+H+NH4"	19.041099
"729626"	596.3743995	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+H+NH4"	19.041099
"1482351"	205.1384995	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H+NH4"	19.041099
"401027"	805.461018	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+Na"	22.989218
"762026"	1196.696918	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+Na"	22.989218
"1606476"	414.225118	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Na"	22.989218
"317605"	403.234147	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+H+Na"	23.996494
"711122"	598.852097	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+H+Na"	23.996494
"1468596"	207.616197	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H+Na"	23.996494
"1055278"	138.746556666667	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2H+Na"	25.00377
"1261335"	424.269386	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+CH3OH+H"	33.033486
"382094"	821.434958	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+K"	38.963158
"744186"	1212.670858	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+K"	38.963158
"1550617"	430.199058	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+K"	38.963158
"305608"	411.221117	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+H+K"	39.970434
"696936"	606.839067	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+H+K"	39.970434
"1450753"	215.603167	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H+K"	39.970434
"237890"	824.505626	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+ACN+H"	42.033826
"1211329"	433.269726	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+ACN+H"	42.033826
"1195577"	217.138501	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+ACN+2H"	43.041102
"201950"	827.44296	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+2Na-H"	44.97116
"643578"	1218.67886	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+2Na-H"	44.97116
"1146448"	436.20706	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2Na-H"	44.97116
"187220"	414.225118	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+2Na"	45.978436
"624587"	609.843068	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+2Na"	45.978436
"1129793"	218.607168	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2Na"	45.978436
"1406146"	146.073870666667	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H+2Na"	46.985712
"1437169"	438.248646	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H+HCOOH"	47.012746
"226864"	419.25814	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+3H2O+2H"	56.04448
"1513832"	452.30069	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+IsoProp+H"	61.06479
"413516"	422.212088	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+Na+K"	61.952376
"772323"	617.830038	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+Na+K"	61.952376
"1665899"	226.594138	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Na+K"	61.952376
"252262"	846.487568	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+ACN+Na"	64.015768
"1238832"	455.251668	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+ACN+Na"	64.015768
"1725527"	455.275193	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+NH4+HCOOH"	64.039293
"1188693"	153.401184666667	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+3Na"	68.967654
"1662597"	460.230588	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Na+HCOOH"	68.994688
"164355"	859.39084	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+2K-H"	76.91904
"608660"	1250.62674	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+2K-H"	76.91904
"1092802"	468.15494	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2K-H"	76.91904
"151446"	430.199058	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"2M+2K"	77.926316
"590277"	625.817008	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"3M+2K"	77.926316
"1076976"	234.581108	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2K"	77.926316
"1107999"	470.169492	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2K+H"	78.933592
"1343289"	470.257107	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+DMSO+H"	79.021207
"1019360"	474.296276	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2ACN+H"	83.060376
"1536512"	475.289908	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+IsoProp+Na+H"	84.054008
"998586"	237.651776	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+2ACN+2H"	84.067652
"1594181"	476.204528	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+K+HCOOH"	84.968628
"1427496"	506.236038	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+H+CF3COOH"	115.000138
"1154504"	258.165051	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+3ACN+2H"	125.094202
"1701867"	523.262585	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+NH4+CF3COOH"	132.026685
"1638611"	528.21798	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+Na+CF3COOH"	136.98208
"1576451"	544.19192	"C08686"	"Heteratisine"	"C22H33NO5"	"391.2359"	"M+K+CF3COOH"	152.95602
"806821"	329.1991	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M"	0
"977073"	310.18071	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-H2O-H"	-19.01839
"63855"	218.458790666667	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M-3H"	-3.021828
"504023"	328.191824	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M-3H"	-3.021828
"881456"	108.725757333333	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-3H"	-3.021828
"3065"	328.191824	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M-2H"	-2.014552
"453822"	492.791374	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M-2H"	-2.014552
"829559"	163.592274	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-2H"	-2.014552
"93075"	657.390924	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M-H"	-1.007276
"528015"	986.590024	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M-H"	-1.007276
"909099"	328.191824	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-H"	-1.007276
"60195"	674.417471	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M-2H+NH4"	16.019271
"500728"	1003.616571	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M-2H+NH4"	16.019271
"876462"	345.218371	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-2H+NH4"	16.019271
"41082"	679.372866	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M-2H+Na"	20.974666
"481736"	1008.571966	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M-2H+Na"	20.974666
"859540"	350.173766	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-2H+Na"	20.974666
"1632236"	350.173766	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Na-2H"	20.974666
"102324"	346.180163	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M-H+Cl"	33.962126
"545167"	510.779713	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M-H+Cl"	33.962126
"928351"	181.580613	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-H+Cl"	33.962126
"271041"	693.367602	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+Cl"	34.969402
"673676"	1022.566702	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+Cl"	34.969402
"1283159"	364.168502	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Cl"	34.969402
"20247"	695.346806	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M-2H+K"	36.948606
"459807"	1024.545906	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M-2H+K"	36.948606
"834688"	366.147706	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-2H+K"	36.948606
"1561097"	366.147706	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+K-2H"	36.948606
"948979"	374.197294	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-H+HCOOH"	44.998194
"372304"	703.396401	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+HCOOH-H"	44.998201
"358011"	717.412051	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+Hac-H"	59.013851
"1502107"	388.212951	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Hac-H"	59.013851
"970375"	396.179251	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-H+NaCOOH"	66.980151
"122928"	364.168502	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+2Cl"	69.938804
"561394"	528.768052	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+2Cl"	69.938804
"1033474"	199.568952	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2Cl"	69.938804
"1254145"	408.117985	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Br"	78.918885
"1316594"	410.173972	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Cl+HCOOH"	80.974872
"1332997"	432.155929	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Cl+NaCOOH"	102.956829
"925879"	442.184686	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M-H+CF3COOH"	112.985586
"1299669"	478.161364	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Cl+CF3COOH"	148.962264
"1379654"	294.186424	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H-2H2O"	-35.012676
"1397150"	312.1964	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H-H2O"	-17.0027
"297566"	659.405476	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+H"	1.007276
"688166"	988.604576	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+H"	1.007276
"1365485"	330.206376	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H"	1.007276
"138863"	330.206376	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+2H"	2.014552
"580978"	494.805926	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+2H"	2.014552
"1052325"	165.606826	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2H"	2.014552
"219583"	220.473342666667	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+3H"	3.021828
"657966"	330.206376	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+3H"	3.021828
"1172812"	110.740309333333	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+3H"	3.021828
"433899"	676.432023	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+NH4"	18.033823
"791248"	1005.631123	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+NH4"	18.033823
"1691221"	347.232923	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+NH4"	18.033823
"336222"	338.7196495	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+H+NH4"	19.041099
"728643"	503.3191995	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+H+NH4"	19.041099
"1487932"	174.1200995	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H+NH4"	19.041099
"401143"	681.387418	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+Na"	22.989218
"765419"	1010.586518	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+Na"	22.989218
"1606951"	352.188318	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Na"	22.989218
"321362"	341.197347	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+H+Na"	23.996494
"711598"	505.796897	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+H+Na"	23.996494
"1464329"	176.597797	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H+Na"	23.996494
"1057575"	118.067623333333	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2H+Na"	25.00377
"1259259"	362.232586	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+CH3OH+H"	33.033486
"378925"	697.361358	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+K"	38.963158
"744298"	1026.560458	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+K"	38.963158
"1550727"	368.162258	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+K"	38.963158
"306811"	349.184317	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+H+K"	39.970434
"695224"	513.783867	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+H+K"	39.970434
"1447585"	184.584767	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H+K"	39.970434
"237279"	700.432026	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+ACN+H"	42.033826
"1210836"	371.232926	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+ACN+H"	42.033826
"1196176"	186.120101	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+ACN+2H"	43.041102
"200967"	703.36936	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+2Na-H"	44.97116
"643807"	1032.56846	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+2Na-H"	44.97116
"1146597"	374.17026	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2Na-H"	44.97116
"187937"	352.188318	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+2Na"	45.978436
"627982"	516.787868	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+2Na"	45.978436
"1128933"	187.588768	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2Na"	45.978436
"1408444"	125.394937333333	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H+2Na"	46.985712
"1436185"	376.211846	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H+HCOOH"	47.012746
"228069"	357.22134	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+3H2O+2H"	56.04448
"1517953"	390.26389	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+IsoProp+H"	61.06479
"416908"	360.175288	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+Na+K"	61.952376
"774622"	524.774838	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+Na+K"	61.952376
"1666336"	195.575738	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Na+K"	61.952376
"253465"	722.413968	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+ACN+Na"	64.015768
"1237847"	393.214868	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+ACN+Na"	64.015768
"1724543"	393.238393	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+NH4+HCOOH"	64.039293
"1185523"	132.722251333333	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+3Na"	68.967654
"1663070"	398.193788	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Na+HCOOH"	68.994688
"169205"	735.31724	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+2K-H"	76.91904
"606216"	1064.51634	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+2K-H"	76.91904
"1090728"	406.11814	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2K-H"	76.91904
"147545"	368.162258	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"2M+2K"	77.926316
"587105"	532.761808	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"3M+2K"	77.926316
"1071617"	203.562708	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2K"	77.926316
"1105921"	408.132692	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2K+H"	78.933592
"1342312"	408.220307	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+DMSO+H"	79.021207
"1010843"	412.259476	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2ACN+H"	83.060376
"1532248"	413.253108	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+IsoProp+Na+H"	84.054008
"997603"	206.633376	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+2ACN+2H"	84.067652
"1594292"	414.167728	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+K+HCOOH"	84.968628
"1421045"	444.199238	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+H+CF3COOH"	115.000138
"1156801"	227.146651	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+3ACN+2H"	125.094202
"1700885"	461.225785	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+NH4+CF3COOH"	132.026685
"1642003"	466.18118	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+Na+CF3COOH"	136.98208
"1575468"	482.15512	"C08687"	"Hetisine;Hetisan-21113-triol"	"C20H27NO3"	"329.1991"	"M+K+CF3COOH"	152.95602
"817066"	615.3043	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M"	0
"983745"	596.28591	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-H2O-H"	-19.01839
"65423"	409.195590666667	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M-3H"	-3.021828
"504985"	614.297024	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M-3H"	-3.021828
"883877"	204.094157333333	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-3H"	-3.021828
"1360"	614.297024	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M-2H"	-2.014552
"450773"	921.949174	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M-2H"	-2.014552
"828574"	306.644874	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-2H"	-2.014552
"91848"	1229.601324	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M-H"	-1.007276
"531407"	1844.905624	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M-H"	-1.007276
"909578"	614.297024	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-H"	-1.007276
"62504"	1246.627871	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M-2H+NH4"	16.019271
"502505"	1861.932171	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M-2H+NH4"	16.019271
"879783"	631.323571	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-2H+NH4"	16.019271
"45567"	1251.583266	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M-2H+Na"	20.974666
"481846"	1866.887566	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M-2H+Na"	20.974666
"864070"	636.278966	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-2H+Na"	20.974666
"1630279"	636.278966	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Na-2H"	20.974666
"107901"	632.285363	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M-H+Cl"	33.962126
"545277"	939.937513	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M-H+Cl"	33.962126
"933324"	324.633213	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-H+Cl"	33.962126
"269692"	1265.578002	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+Cl"	34.969402
"674757"	1880.882302	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+Cl"	34.969402
"1287644"	650.273702	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Cl"	34.969402
"24732"	1267.557206	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M-2H+K"	36.948606
"465385"	1882.861506	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M-2H+K"	36.948606
"835532"	652.252906	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-2H+K"	36.948606
"1563394"	652.252906	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+K-2H"	36.948606
"949089"	660.302494	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-H+HCOOH"	44.998194
"374603"	1275.606801	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+HCOOH-H"	44.998201
"359825"	1289.622451	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+Hac-H"	59.013851
"1503310"	674.318151	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Hac-H"	59.013851
"969757"	682.284451	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-H+NaCOOH"	66.980151
"119758"	650.273702	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+2Cl"	69.938804
"560412"	957.925852	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+2Cl"	69.938804
"1031398"	342.621552	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2Cl"	69.938804
"1256078"	694.223185	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Br"	78.918885
"1315611"	696.279172	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Cl+HCOOH"	80.974872
"1325452"	718.261129	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Cl+NaCOOH"	102.956829
"923071"	728.289886	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M-H+CF3COOH"	112.985586
"1301965"	764.266564	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Cl+CF3COOH"	148.962264
"1382193"	580.291624	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H-2H2O"	-35.012676
"1398343"	598.3016	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H-H2O"	-17.0027
"298286"	1231.615876	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+H"	1.007276
"690097"	1846.920176	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+H"	1.007276
"1366997"	616.311576	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H"	1.007276
"136785"	616.311576	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+2H"	2.014552
"576347"	923.963726	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+2H"	2.014552
"1052435"	308.659426	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2H"	2.014552
"218150"	411.210142666667	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+3H"	3.021828
"654796"	616.311576	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+3H"	3.021828
"1176930"	206.108709333333	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+3H"	3.021828
"438381"	1248.642423	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+NH4"	18.033823
"798648"	1863.946723	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+NH4"	18.033823
"1691333"	633.338123	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+NH4"	18.033823
"338518"	624.8248495	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+H+NH4"	19.041099
"734220"	932.4769995	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+H+NH4"	19.041099
"1486945"	317.1726995	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H+NH4"	19.041099
"404531"	1253.597818	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+Na"	22.989218
"767711"	1868.902118	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+Na"	22.989218
"1611438"	638.293518	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Na"	22.989218
"322568"	627.302547	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+H+Na"	23.996494
"716083"	934.954697	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+H+Na"	23.996494
"1465167"	319.650397	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H+Na"	23.996494
"1055505"	213.436023333333	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2H+Na"	25.00377
"1259732"	648.337786	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+CH3OH+H"	33.033486
"383413"	1269.571758	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+K"	38.963158
"743315"	1884.876058	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+K"	38.963158
"1550838"	654.267458	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+K"	38.963158
"303640"	635.289517	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+H+K"	39.970434
"697153"	942.941667	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+H+K"	39.970434
"1452066"	327.637367	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H+K"	39.970434
"238482"	1272.642426	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+ACN+H"	42.033826
"1215562"	657.338126	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+ACN+H"	42.033826
"1200537"	329.172701	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+ACN+2H"	43.041102
"201806"	1275.57976	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+2Na-H"	44.97116
"643974"	1890.88406	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+2Na-H"	44.97116
"1146915"	660.27546	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2Na-H"	44.97116
"185247"	638.293518	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+2Na"	45.978436
"628408"	945.945668	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+2Na"	45.978436
"1128678"	330.641368	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2Na"	45.978436
"1406370"	220.763337333333	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H+2Na"	46.985712
"1435933"	662.317046	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H+HCOOH"	47.012746
"230002"	643.32654	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+3H2O+2H"	56.04448
"1512959"	676.36909	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+IsoProp+H"	61.06479
"414831"	646.280488	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+Na+K"	61.952376
"774002"	953.932638	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+Na+K"	61.952376
"1667421"	338.628338	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Na+K"	61.952376
"252969"	1294.624368	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+ACN+Na"	64.015768
"1240145"	679.320068	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+ACN+Na"	64.015768
"1725385"	679.343593	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+NH4+HCOOH"	64.039293
"1191103"	228.090651333333	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+3Na"	68.967654
"1661727"	684.298988	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Na+HCOOH"	68.994688
"167859"	1307.52764	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+2K-H"	76.91904
"604140"	1922.83194	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+2K-H"	76.91904
"1089751"	692.22334	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2K-H"	76.91904
"148755"	654.267458	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"2M+2K"	77.926316
"586124"	961.919608	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"3M+2K"	77.926316
"1075010"	346.615308	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2K"	77.926316
"1104943"	694.237892	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2K+H"	78.933592
"1342422"	694.325507	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+DMSO+H"	79.021207
"1010952"	698.364676	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2ACN+H"	83.060376
"1530169"	699.358308	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+IsoProp+Na+H"	84.054008
"994433"	349.685976	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+2ACN+2H"	84.067652
"1597684"	700.272928	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+K+HCOOH"	84.968628
"1423343"	730.304438	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+H+CF3COOH"	115.000138
"1158005"	370.199251	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+3ACN+2H"	125.094202
"1709744"	747.330985	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+NH4+CF3COOH"	132.026685
"1646489"	752.28638	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+Na+CF3COOH"	136.98208
"1575578"	768.26032	"C08688"	"Hypaconitine"	"C33H45NO10"	"615.3043"	"M+K+CF3COOH"	152.95602
"814694"	375.241	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M"	0
"982759"	356.22261	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-H2O-H"	-19.01839
"62904"	249.153390666667	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M-3H"	-3.021828
"504367"	374.233724	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M-3H"	-3.021828
"879985"	124.073057333333	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-3H"	-3.021828
"75"	374.233724	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M-2H"	-2.014552
"448696"	561.854224	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M-2H"	-2.014552
"828684"	186.613224	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-2H"	-2.014552
"91958"	749.474724	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M-H"	-1.007276
"530424"	1124.715724	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M-H"	-1.007276
"908230"	374.233724	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-H"	-1.007276
"61514"	766.501271	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M-2H+NH4"	16.019271
"501925"	1141.742271	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M-2H+NH4"	16.019271
"878874"	391.260271	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-2H+NH4"	16.019271
"44584"	771.456666	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M-2H+Na"	20.974666
"478676"	1146.697666	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M-2H+Na"	20.974666
"863042"	396.215666	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-2H+Na"	20.974666
"1627109"	396.215666	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Na-2H"	20.974666
"105824"	392.222063	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M-H+Cl"	33.962126
"545387"	579.842563	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M-H+Cl"	33.962126
"930882"	204.601563	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-H+Cl"	33.962126
"267304"	785.451402	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+Cl"	34.969402
"672074"	1160.692402	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+Cl"	34.969402
"1286661"	410.210402	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Cl"	34.969402
"24842"	787.430606	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M-2H+K"	36.948606
"464402"	1162.671606	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M-2H+K"	36.948606
"838922"	412.189606	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-2H+K"	36.948606
"1560224"	412.189606	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+K-2H"	36.948606
"948106"	420.239194	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-H+HCOOH"	44.998194
"375806"	795.480201	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+HCOOH-H"	44.998201
"356777"	809.495851	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+Hac-H"	59.013851
"1503420"	434.254851	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Hac-H"	59.013851
"970960"	442.221151	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-H+NaCOOH"	66.980151
"119868"	410.210402	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+2Cl"	69.938804
"562709"	597.830902	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+2Cl"	69.938804
"1036247"	222.589902	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2Cl"	69.938804
"1255459"	454.159885	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Br"	78.918885
"1317909"	456.215872	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Cl+HCOOH"	80.974872
"1324469"	478.197829	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Cl+NaCOOH"	102.956829
"923181"	488.226586	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M-H+CF3COOH"	112.985586
"1302807"	524.203264	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Cl+CF3COOH"	148.962264
"1381456"	340.228324	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H-2H2O"	-35.012676
"1395548"	358.2383	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H-H2O"	-17.0027
"296696"	751.489276	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+H"	1.007276
"689479"	1126.730276	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+H"	1.007276
"1366841"	376.248276	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H"	1.007276
"141231"	376.248276	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+2H"	2.014552
"575364"	563.868776	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+2H"	2.014552
"1046349"	188.627776	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2H"	2.014552
"214250"	251.167942666667	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+3H"	3.021828
"657093"	376.248276	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+3H"	3.021828
"1175217"	126.087609333333	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+3H"	3.021828
"435939"	768.515823	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+NH4"	18.033823
"794020"	1143.756823	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+NH4"	18.033823
"1688164"	393.274823	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+NH4"	18.033823
"335349"	384.7615495	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+H+NH4"	19.041099
"733238"	572.3820495	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+H+NH4"	19.041099
"1488149"	197.1410495	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H+NH4"	19.041099
"403548"	773.471218	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+Na"	22.989218
"763449"	1148.712218	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+Na"	22.989218
"1607176"	398.230218	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Na"	22.989218
"322680"	387.239247	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+H+Na"	23.996494
"715100"	574.859747	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+H+Na"	23.996494
"1465640"	199.618747	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H+Na"	23.996494
"1055615"	133.414923333333	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2H+Na"	25.00377
"1261664"	408.274486	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+CH3OH+H"	33.033486
"382429"	789.445158	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+K"	38.963158
"743425"	1164.686158	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+K"	38.963158
"1550948"	414.204158	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+K"	38.963158
"303750"	395.226217	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+H+K"	39.970434
"698355"	582.846717	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+H+K"	39.970434
"1451081"	207.605717	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H+K"	39.970434
"238591"	792.515826	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+ACN+H"	42.033826
"1215671"	417.274826	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+ACN+H"	42.033826
"1199554"	209.141051	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+ACN+2H"	43.041102
"201916"	795.45316	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+2Na-H"	44.97116
"643875"	1170.69416	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+2Na-H"	44.97116
"1145348"	420.21216	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2Na-H"	44.97116
"185357"	398.230218	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+2Na"	45.978436
"624917"	585.850718	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+2Na"	45.978436
"1128058"	210.609718	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2Na"	45.978436
"1406480"	140.742237333333	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H+2Na"	46.985712
"1435315"	422.253746	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H+HCOOH"	47.012746
"229383"	403.26324	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+3H2O+2H"	56.04448
"1515257"	436.30579	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+IsoProp+H"	61.06479
"416035"	406.217188	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+Na+K"	61.952376
"771563"	593.837688	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+Na+K"	61.952376
"1666804"	218.596688	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Na+K"	61.952376
"255511"	814.497768	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+ACN+Na"	64.015768
"1234784"	439.256768	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+ACN+Na"	64.015768
"1722577"	439.280293	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+NH4+HCOOH"	64.039293
"1187931"	148.069551333333	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+3Na"	68.967654
"1658922"	444.235688	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Na+HCOOH"	68.994688
"167966"	827.40104	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+2K-H"	76.91904
"603157"	1202.64204	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+2K-H"	76.91904
"1090947"	452.16004	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2K-H"	76.91904
"146678"	414.204158	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"2M+2K"	77.926316
"589513"	601.824658	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"3M+2K"	77.926316
"1074027"	226.583658	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2K"	77.926316
"1105053"	454.174592	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2K+H"	78.933592
"1342531"	454.262207	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+DMSO+H"	79.021207
"1011426"	458.301376	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2ACN+H"	83.060376
"1529185"	459.295008	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+IsoProp+Na+H"	84.054008
"995636"	229.654326	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+2ACN+2H"	84.067652
"1597794"	460.209628	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+K+HCOOH"	84.968628
"1423453"	490.241138	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+H+CF3COOH"	115.000138
"1158115"	250.167601	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+3ACN+2H"	125.094202
"1709854"	507.267685	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+NH4+CF3COOH"	132.026685
"1645505"	512.22308	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+Na+CF3COOH"	136.98208
"1575688"	528.19702	"C08689"	"Icaceine"	"C22H33NO4"	"375.241"	"M+K+CF3COOH"	152.95602
"812617"	405.2151	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M"	0
"983962"	386.19671	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-H2O-H"	-19.01839
"64915"	269.136124	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M-3H"	-3.021828
"506300"	404.207824	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M-3H"	-3.021828
"880247"	134.064424	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-3H"	-3.021828
"1942"	404.207824	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M-2H"	-2.014552
"447713"	606.815374	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M-2H"	-2.014552
"828794"	201.600274	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-2H"	-2.014552
"91705"	809.422924	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M-H"	-1.007276
"530534"	1214.638024	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M-H"	-1.007276
"906154"	404.207824	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-H"	-1.007276
"61017"	826.449471	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M-2H+NH4"	16.019271
"499969"	1231.664571	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M-2H+NH4"	16.019271
"875704"	421.234371	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-2H+NH4"	16.019271
"44693"	831.404866	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M-2H+Na"	20.974666
"478786"	1236.619966	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M-2H+Na"	20.974666
"862301"	426.189766	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-2H+Na"	20.974666
"1627219"	426.189766	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Na-2H"	20.974666
"103747"	422.196163	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M-H+Cl"	33.962126
"546591"	624.803713	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M-H+Cl"	33.962126
"930264"	219.588613	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-H+Cl"	33.962126
"269909"	845.399602	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+Cl"	34.969402
"665617"	1250.614702	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+Cl"	34.969402
"1284584"	440.184502	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Cl"	34.969402
"23859"	847.378806	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M-2H+K"	36.948606
"459044"	1252.593906	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M-2H+K"	36.948606
"833684"	442.163706	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-2H+K"	36.948606
"1559240"	442.163706	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+K-2H"	36.948606
"946030"	450.213294	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-H+HCOOH"	44.998194
"375916"	855.428401	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+HCOOH-H"	44.998201
"356886"	869.444051	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+Hac-H"	59.013851
"1503530"	464.228951	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Hac-H"	59.013851
"971070"	472.195251	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-H+NaCOOH"	66.980151
"118885"	440.184502	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+2Cl"	69.938804
"562819"	642.792052	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+2Cl"	69.938804
"1035628"	237.576952	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2Cl"	69.938804
"1254476"	484.133985	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Br"	78.918885
"1318626"	486.189972	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Cl+HCOOH"	80.974872
"1327859"	508.171929	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Cl+NaCOOH"	102.956829
"926211"	518.200686	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M-H+CF3COOH"	112.985586
"1302553"	554.177364	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Cl+CF3COOH"	148.962264
"1380349"	370.202424	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H-2H2O"	-35.012676
"1395658"	388.2124	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H-H2O"	-17.0027
"295346"	811.437476	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+H"	1.007276
"690684"	1216.652576	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+H"	1.007276
"1366307"	406.222376	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H"	1.007276
"139922"	406.222376	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+2H"	2.014552
"579848"	608.829926	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+2H"	2.014552
"1049739"	203.614826	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2H"	2.014552
"216548"	271.150676	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+3H"	3.021828
"656110"	406.222376	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+3H"	3.021828
"1177515"	136.078976	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+3H"	3.021828
"437508"	828.464023	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+NH4"	18.033823
"793036"	1233.679123	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+NH4"	18.033823
"1689366"	423.248923	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+NH4"	18.033823
"337645"	414.7356495	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+H+NH4"	19.041099
"733347"	617.3431995	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+H+NH4"	19.041099
"1487166"	212.1280995	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H+NH4"	19.041099
"404752"	833.419418	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+Na"	22.989218
"765748"	1238.634518	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+Na"	22.989218
"1608380"	428.204318	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Na"	22.989218
"321695"	417.213347	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+H+Na"	23.996494
"713025"	619.820897	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+H+Na"	23.996494
"1463929"	214.605797	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H+Na"	23.996494
"1054996"	143.40629	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2H+Na"	25.00377
"1260680"	438.248586	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+CH3OH+H"	33.033486
"380353"	849.393358	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+K"	38.963158
"740256"	1254.608458	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+K"	38.963158
"1544497"	444.178258	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+K"	38.963158
"301673"	425.200317	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+H+K"	39.970434
"698465"	627.807867	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+H+K"	39.970434
"1451192"	222.592767	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H+K"	39.970434
"239795"	852.464026	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+ACN+H"	42.033826
"1214689"	447.248926	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+ACN+H"	42.033826
"1202942"	224.128101	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+ACN+2H"	43.041102
"201662"	855.40136	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+2Na-H"	44.97116
"643173"	1260.61646	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+2Na-H"	44.97116
"1145094"	450.18626	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2Na-H"	44.97116
"183280"	428.204318	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+2Na"	45.978436
"623933"	630.811868	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+2Na"	45.978436
"1128532"	225.596768	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2Na"	45.978436
"1407684"	150.733604	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H+2Na"	46.985712
"1437612"	452.227846	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H+HCOOH"	47.012746
"229492"	433.23734	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+3H2O+2H"	56.04448
"1516460"	466.27989	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+IsoProp+H"	61.06479
"416144"	436.191288	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+Na+K"	61.952376
"776047"	638.798838	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+Na+K"	61.952376
"1668369"	233.583738	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Na+K"	61.952376
"255619"	874.445968	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+ACN+Na"	64.015768
"1233799"	469.230868	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+ACN+Na"	64.015768
"1714665"	469.254393	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+NH4+HCOOH"	64.039293
"1184760"	158.060918	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+3Na"	68.967654
"1654651"	474.209788	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Na+HCOOH"	68.994688
"161511"	887.34924	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+2K-H"	76.91904
"601073"	1292.56434	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+2K-H"	76.91904
"1088136"	482.13414	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2K-H"	76.91904
"147865"	444.178258	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"2M+2K"	77.926316
"583296"	646.785808	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"3M+2K"	77.926316
"1070602"	241.570708	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2K"	77.926316
"1102231"	484.148692	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2K+H"	78.933592
"1336311"	484.236307	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+DMSO+H"	79.021207
"1014812"	488.275476	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2ACN+H"	83.060376
"1529291"	489.269108	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+IsoProp+Na+H"	84.054008
"994649"	244.641376	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+2ACN+2H"	84.067652
"1594623"	490.183728	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+K+HCOOH"	84.968628
"1423563"	520.215238	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+H+CF3COOH"	115.000138
"1157861"	265.154651	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+3ACN+2H"	125.094202
"1710693"	537.241785	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+NH4+CF3COOH"	132.026685
"1644522"	542.19718	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+Na+CF3COOH"	136.98208
"1575798"	558.17112	"C08690"	"Icacine"	"C22H31NO6"	"405.2151"	"M+K+CF3COOH"	152.95602
"812727"	629.32	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M"	0
"984072"	610.30161	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-H2O-H"	-19.01839
"67943"	418.539390666667	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M-3H"	-3.021828
"506410"	628.312724	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M-3H"	-3.021828
"883117"	208.766057333333	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-3H"	-3.021828
"6067"	628.312724	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M-2H"	-2.014552
"447823"	942.972724	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M-2H"	-2.014552
"827811"	313.652724	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-2H"	-2.014552
"88896"	1257.632724	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M-H"	-1.007276
"524082"	1886.952724	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M-H"	-1.007276
"909421"	628.312724	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-H"	-1.007276
"60154"	1274.659271	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M-2H+NH4"	16.019271
"500443"	1903.979271	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M-2H+NH4"	16.019271
"876422"	645.339271	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-2H+NH4"	16.019271
"43711"	1279.614666	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M-2H+Na"	20.974666
"478896"	1908.934666	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M-2H+Na"	20.974666
"861074"	650.294666	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-2H+Na"	20.974666
"1628423"	650.294666	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Na-2H"	20.974666
"104951"	646.301063	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M-H+Cl"	33.962126
"537952"	960.961063	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M-H+Cl"	33.962126
"930374"	331.641063	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-H+Cl"	33.962126
"269655"	1293.609402	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+Cl"	34.969402
"664634"	1922.929402	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+Cl"	34.969402
"1286639"	664.289402	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Cl"	34.969402
"26157"	1295.588606	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M-2H+K"	36.948606
"464622"	1924.908606	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M-2H+K"	36.948606
"838049"	666.268606	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-2H+K"	36.948606
"1560445"	666.268606	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+K-2H"	36.948606
"943954"	674.318194	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-H+HCOOH"	44.998194
"373111"	1303.638201	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+HCOOH-H"	44.998201
"351530"	1317.653851	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+Hac-H"	59.013851
"1498174"	688.333851	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Hac-H"	59.013851
"967901"	696.300151	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-H+NaCOOH"	66.980151
"115716"	664.289402	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+2Cl"	69.938804
"559651"	978.949402	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+2Cl"	69.938804
"1032461"	349.629402	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2Cl"	69.938804
"1252404"	708.238885	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Br"	78.918885
"1313761"	710.294872	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Cl+HCOOH"	80.974872
"1333442"	732.276829	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Cl+NaCOOH"	102.956829
"924136"	742.305586	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M-H+CF3COOH"	112.985586
"1301938"	778.282264	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Cl+CF3COOH"	148.962264
"1380097"	594.307324	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H-2H2O"	-35.012676
"1397471"	612.3173	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H-H2O"	-17.0027
"296189"	1259.647276	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+H"	1.007276
"690190"	1888.967276	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+H"	1.007276
"1364959"	630.327276	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H"	1.007276
"139306"	630.327276	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+2H"	2.014552
"577773"	944.987276	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+2H"	2.014552
"1050580"	315.667276	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2H"	2.014552
"215565"	420.553942666667	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+3H"	3.021828
"654032"	630.327276	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+3H"	3.021828
"1176533"	210.780609333333	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+3H"	3.021828
"435433"	1276.673823	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+NH4"	18.033823
"797520"	1905.993823	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+NH4"	18.033823
"1691665"	647.353823	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+NH4"	18.033823
"339944"	638.8405495	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+H+NH4"	19.041099
"734552"	953.5005495	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+H+NH4"	19.041099
"1487279"	324.1805495	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H+NH4"	19.041099
"403770"	1281.629218	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+Na"	22.989218
"766951"	1910.949218	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+Na"	22.989218
"1609582"	652.309218	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Na"	22.989218
"322900"	641.318247	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+H+Na"	23.996494
"713137"	955.978247	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+H+Na"	23.996494
"1468046"	326.658247	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H+Na"	23.996494
"1053520"	218.107923333333	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2H+Na"	25.00377
"1257631"	662.353486	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+CH3OH+H"	33.033486
"380463"	1297.603158	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+K"	38.963158
"740487"	1926.923158	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+K"	38.963158
"1544607"	668.283158	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+K"	38.963158
"302876"	649.305217	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+H+K"	39.970434
"696389"	963.965217	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+H+K"	39.970434
"1452396"	334.645217	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H+K"	39.970434
"240999"	1300.673826	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+ACN+H"	42.033826
"1216987"	671.353826	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+ACN+H"	42.033826
"1204147"	336.180551	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+ACN+2H"	43.041102
"201772"	1303.61116	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+2Na-H"	44.97116
"643284"	1932.93116	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+2Na-H"	44.97116
"1144476"	674.29116	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2Na-H"	44.97116
"184483"	652.309218	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+2Na"	45.978436
"620763"	966.969218	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+2Na"	45.978436
"1128642"	337.649218	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2Na"	45.978436
"1407794"	225.435237333333	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H+2Na"	46.985712
"1441002"	676.332746	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H+HCOOH"	47.012746
"230696"	657.34224	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+3H2O+2H"	56.04448
"1519851"	690.38479	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+IsoProp+H"	61.06479
"421722"	660.296188	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+Na+K"	61.952376
"779438"	974.956188	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+Na+K"	61.952376
"1670302"	345.636188	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Na+K"	61.952376
"255730"	1322.655768	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+ACN+Na"	64.015768
"1230629"	693.335768	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+ACN+Na"	64.015768
"1715867"	693.359293	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+NH4+HCOOH"	64.039293
"1182678"	232.762551333333	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+3Na"	68.967654
"1654761"	698.314688	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Na+HCOOH"	68.994688
"160163"	1335.55904	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+2K-H"	76.91904
"602275"	1964.87904	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+2K-H"	76.91904
"1087881"	706.23904	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2K-H"	76.91904
"146883"	668.283158	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"2M+2K"	77.926316
"585350"	982.943158	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"3M+2K"	77.926316
"1070956"	353.623158	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2K"	77.926316
"1103072"	708.253592	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2K+H"	78.933592
"1336179"	708.341207	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+DMSO+H"	79.021207
"1006168"	712.380376	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2ACN+H"	83.060376
"1525140"	713.374008	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+IsoProp+Na+H"	84.054008
"991474"	356.693826	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+2ACN+2H"	84.067652
"1587798"	714.288628	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+K+HCOOH"	84.968628
"1416377"	744.320138	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+H+CF3COOH"	115.000138
"1150309"	377.207101	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+3ACN+2H"	125.094202
"1707888"	761.346685	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+NH4+CF3COOH"	132.026685
"1643539"	766.30208	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+Na+CF3COOH"	136.98208
"1575908"	782.27602	"C08691"	"Indaconitine"	"C34H47NO10"	"629.32"	"M+K+CF3COOH"	152.95602
"815996"	675.3255	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M"	0
"987462"	656.30711	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-H2O-H"	-19.01839
"71332"	449.209724	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M-3H"	-3.021828
"507247"	674.318224	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M-3H"	-3.021828
"884320"	224.101224	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-3H"	-3.021828
"13831"	674.318224	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M-2H"	-2.014552
"447933"	1011.980974	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M-2H"	-2.014552
"829014"	336.655474	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-2H"	-2.014552
"87912"	1349.643724	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M-H"	-1.007276
"525285"	2024.969224	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M-H"	-1.007276
"910500"	674.318224	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-H"	-1.007276
"60750"	1366.670271	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M-2H+NH4"	16.019271
"500917"	2041.995771	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M-2H+NH4"	16.019271
"878108"	691.344771	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-2H+NH4"	16.019271
"43820"	1371.625666	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M-2H+Na"	20.974666
"479006"	2046.951166	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M-2H+Na"	20.974666
"860089"	696.300166	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-2H+Na"	20.974666
"1628533"	696.300166	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Na-2H"	20.974666
"106155"	692.306563	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M-H+Cl"	33.962126
"538426"	1029.969313	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M-H+Cl"	33.962126
"930848"	354.643813	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-H+Cl"	33.962126
"269768"	1385.620402	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+Cl"	34.969402
"664744"	2060.945902	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+Cl"	34.969402
"1286991"	710.294902	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Cl"	34.969402
"26267"	1387.599606	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M-2H+K"	36.948606
"466919"	2062.925106	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M-2H+K"	36.948606
"842535"	712.274106	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-2H+K"	36.948606
"1561648"	712.274106	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+K-2H"	36.948606
"950625"	720.323694	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-H+HCOOH"	44.998194
"371032"	1395.649201	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+HCOOH-H"	44.998201
"352732"	1409.664851	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+Hac-H"	59.013851
"1498284"	734.339351	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Hac-H"	59.013851
"968013"	742.305651	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-H+NaCOOH"	66.980151
"119109"	710.294902	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+2Cl"	69.938804
"558668"	1047.957652	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+2Cl"	69.938804
"1034758"	372.632152	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2Cl"	69.938804
"1253606"	754.244385	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Br"	78.918885
"1314964"	756.300372	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Cl+HCOOH"	80.974872
"1333186"	778.282329	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Cl+NaCOOH"	102.956829
"923517"	788.311086	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M-H+CF3COOH"	112.985586
"1302776"	824.287764	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Cl+CF3COOH"	148.962264
"1380574"	640.312824	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H-2H2O"	-35.012676
"1396976"	658.3228	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H-H2O"	-17.0027
"294842"	1351.658276	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+H"	1.007276
"690909"	2026.983776	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+H"	1.007276
"1364706"	676.332776	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H"	1.007276
"136136"	676.332776	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+2H"	2.014552
"577882"	1013.995526	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+2H"	2.014552
"1051057"	338.670026	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2H"	2.014552
"216769"	451.224276	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+3H"	3.021828
"658153"	676.332776	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+3H"	3.021828
"1175551"	226.115776	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+3H"	3.021828
"435908"	1368.684823	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+NH4"	18.033823
"796539"	2044.010323	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+NH4"	18.033823
"1693236"	693.359323	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+NH4"	18.033823
"341514"	684.8460495	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+H+NH4"	19.041099
"736849"	1022.5087995	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+H+NH4"	19.041099
"1489577"	347.1832995	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H+NH4"	19.041099
"405339"	1373.640218	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+Na"	22.989218
"766698"	2048.965718	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+Na"	22.989218
"1611881"	698.314718	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Na"	22.989218
"323010"	687.323747	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+H+Na"	23.996494
"717619"	1024.986497	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+H+Na"	23.996494
"1467062"	349.660997	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H+Na"	23.996494
"1053751"	233.44309	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2H+Na"	25.00377
"1257374"	708.358986	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+CH3OH+H"	33.033486
"380573"	1389.614158	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+K"	38.963158
"741569"	2064.939658	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+K"	38.963158
"1547997"	714.288658	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+K"	38.963158
"304080"	695.310717	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+H+K"	39.970434
"698686"	1032.973467	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+H+K"	39.970434
"1454694"	357.647967	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H+K"	39.970434
"242202"	1392.684826	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+ACN+H"	42.033826
"1219282"	717.359326	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+ACN+H"	42.033826
"1205350"	359.183301	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+ACN+2H"	43.041102
"203950"	1395.62216	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+2Na-H"	44.97116
"643513"	2070.94766	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+2Na-H"	44.97116
"1142396"	720.29666	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2Na-H"	44.97116
"181312"	698.314718	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+2Na"	45.978436
"618686"	1035.977468	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+2Na"	45.978436
"1125471"	360.651968	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2Na"	45.978436
"1410090"	240.770404	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H+2Na"	46.985712
"1443907"	722.338246	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H+HCOOH"	47.012746
"234695"	703.34774	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+3H2O+2H"	56.04448
"1522513"	736.39029	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+IsoProp+H"	61.06479
"422562"	706.301688	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+Na+K"	61.952376
"780640"	1043.964438	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+Na+K"	61.952376
"1673694"	368.638938	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Na+K"	61.952376
"260214"	1414.666768	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+ACN+Na"	64.015768
"1231832"	739.341268	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+ACN+Na"	64.015768
"1717435"	739.364793	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+NH4+HCOOH"	64.039293
"1187162"	248.097718	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+3Na"	68.967654
"1656326"	744.320188	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Na+HCOOH"	68.994688
"162459"	1427.57004	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+2K-H"	76.91904
"604570"	2102.89554	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+2K-H"	76.91904
"1092727"	752.24454	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2K-H"	76.91904
"146993"	714.288658	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"2M+2K"	77.926316
"586554"	1051.951408	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"3M+2K"	77.926316
"1074349"	376.625908	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2K"	77.926316
"1104276"	754.259092	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2K+H"	78.933592
"1337748"	754.346707	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+DMSO+H"	79.021207
"1006882"	758.385876	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2ACN+H"	83.060376
"1526345"	759.379508	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+IsoProp+Na+H"	84.054008
"990728"	379.696576	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+2ACN+2H"	84.067652
"1588390"	760.294128	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+K+HCOOH"	84.968628
"1419403"	790.325638	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+H+CF3COOH"	115.000138
"1148232"	400.209851	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+3ACN+2H"	125.094202
"1707997"	807.352185	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+NH4+CF3COOH"	132.026685
"1643649"	812.30758	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+Na+CF3COOH"	136.98208
"1574925"	828.28152	"C08692"	"Jesaconitine"	"C35H49NO12"	"675.3255"	"M+K+CF3COOH"	152.95602
"814770"	377.2566	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M"	0
"984292"	358.23821	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-H2O-H"	-19.01839
"71443"	250.497124	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M-3H"	-3.021828
"509911"	376.249324	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M-3H"	-3.021828
"884431"	124.744924	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-3H"	-3.021828
"13941"	376.249324	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M-2H"	-2.014552
"451323"	564.877624	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M-2H"	-2.014552
"828031"	187.621024	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-2H"	-2.014552
"84743"	753.505924	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M-H"	-1.007276
"522116"	1130.762524	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M-H"	-1.007276
"909759"	376.249324	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-H"	-1.007276
"60860"	770.532471	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M-2H+NH4"	16.019271
"501148"	1147.789071	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M-2H+NH4"	16.019271
"876031"	393.275871	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-2H+NH4"	16.019271
"42837"	775.487866	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M-2H+Na"	20.974666
"479116"	1152.744466	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M-2H+Na"	20.974666
"854731"	398.231266	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-2H+Na"	20.974666
"1629737"	398.231266	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Na-2H"	20.974666
"104079"	394.237663	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M-H+Cl"	33.962126
"538172"	582.865963	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M-H+Cl"	33.962126
"930594"	205.609363	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-H+Cl"	33.962126
"268421"	789.482602	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+Cl"	34.969402
"664854"	1166.739202	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+Cl"	34.969402
"1276164"	412.226002	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Cl"	34.969402
"19814"	791.461806	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M-2H+K"	36.948606
"461561"	1168.718406	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M-2H+K"	36.948606
"842645"	414.205206	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-2H+K"	36.948606
"1561758"	414.205206	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+K-2H"	36.948606
"951827"	422.254794	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-H+HCOOH"	44.998194
"372235"	799.511401	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+HCOOH-H"	44.998201
"352842"	813.527051	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+Hac-H"	59.013851
"1498394"	436.270451	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Hac-H"	59.013851
"968123"	444.236751	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-H+NaCOOH"	66.980151
"120312"	412.226002	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+2Cl"	69.938804
"558778"	600.854302	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+2Cl"	69.938804
"1034139"	223.597702	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2Cl"	69.938804
"1252625"	456.175485	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Br"	78.918885
"1313981"	458.231472	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Cl+HCOOH"	80.974872
"1330382"	480.213429	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Cl+NaCOOH"	102.956829
"923628"	490.242186	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M-H+CF3COOH"	112.985586
"1301429"	526.218864	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Cl+CF3COOH"	148.962264
"1379590"	342.243924	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H-2H2O"	-35.012676
"1396722"	360.2539	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H-H2O"	-17.0027
"295317"	755.520476	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+H"	1.007276
"689196"	1132.777076	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+H"	1.007276
"1364452"	378.263876	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H"	1.007276
"137338"	378.263876	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+2H"	2.014552
"575806"	566.892176	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+2H"	2.014552
"1045703"	189.635576	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2H"	2.014552
"211414"	252.511676	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+3H"	3.021828
"658141"	378.263876	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+3H"	3.021828
"1174568"	126.759476	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+3H"	3.021828
"435654"	772.547023	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+NH4"	18.033823
"796285"	1149.803623	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+NH4"	18.033823
"1693707"	395.290423	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+NH4"	18.033823
"342352"	386.7771495	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+H+NH4"	19.041099
"734773"	575.4054495	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+H+NH4"	19.041099
"1488593"	198.1488495	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H+NH4"	19.041099
"406542"	777.502418	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+Na"	22.989218
"766807"	1154.759018	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+Na"	22.989218
"1609802"	400.245818	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Na"	22.989218
"324213"	389.254847	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+H+Na"	23.996494
"714448"	577.883147	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+H+Na"	23.996494
"1465715"	200.626547	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H+Na"	23.996494
"1053863"	134.08679	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2H+Na"	25.00377
"1257363"	410.290086	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+CH3OH+H"	33.033486
"379590"	793.476358	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+K"	38.963158
"741679"	1170.732958	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+K"	38.963158
"1548107"	416.219758	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+K"	38.963158
"304190"	397.241817	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+H+K"	39.970434
"696610"	585.870117	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+H+K"	39.970434
"1458084"	208.613517	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H+K"	39.970434
"244498"	796.547026	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+ACN+H"	42.033826
"1217206"	419.290426	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+ACN+H"	42.033826
"1203276"	210.148851	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+ACN+2H"	43.041102
"202357"	799.48436	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+2Na-H"	44.97116
"641920"	1176.74096	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+2Na-H"	44.97116
"1139226"	422.22776	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2Na-H"	44.97116
"179234"	400.245818	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+2Na"	45.978436
"620980"	588.874118	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+2Na"	45.978436
"1125580"	211.617518	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2Na"	45.978436
"1409107"	141.414104	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H+2Na"	46.985712
"1444260"	424.269346	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H+HCOOH"	47.012746
"235635"	405.27884	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+3H2O+2H"	56.04448
"1523763"	438.32139	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+IsoProp+H"	61.06479
"423405"	408.232788	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+Na+K"	61.952376
"781844"	596.861088	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+Na+K"	61.952376
"1674897"	219.604488	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Na+K"	61.952376
"259230"	818.528968	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+ACN+Na"	64.015768
"1231942"	441.272368	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+ACN+Na"	64.015768
"1718274"	441.295893	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+NH4+HCOOH"	64.039293
"1185086"	148.741418	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+3Na"	68.967654
"1656073"	446.251288	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Na+HCOOH"	68.994688
"162206"	831.43224	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+2K-H"	76.91904
"603587"	1208.68884	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+2K-H"	76.91904
"1089922"	454.17564	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2K-H"	76.91904
"144188"	416.219758	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"2M+2K"	77.926316
"583749"	604.848058	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"3M+2K"	77.926316
"1075552"	227.591458	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2K"	77.926316
"1103293"	456.190192	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2K+H"	78.933592
"1338587"	456.277807	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+DMSO+H"	79.021207
"1006506"	460.316976	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2ACN+H"	83.060376
"1525606"	461.310608	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+IsoProp+Na+H"	84.054008
"991690"	230.662126	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+2ACN+2H"	84.067652
"1587648"	462.225228	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+K+HCOOH"	84.968628
"1420607"	492.256738	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+H+CF3COOH"	115.000138
"1149802"	251.175401	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+3ACN+2H"	125.094202
"1709202"	509.283285	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+NH4+CF3COOH"	132.026685
"1643759"	514.23868	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+Na+CF3COOH"	136.98208
"1581596"	530.21262	"C08693"	"Karakoline;Aconitane-1814-triol 20-ethyl-16-methoxy-4-methyl- (1-alpha14-alpha16-beta)-"	"C22H35NO4"	"377.2566"	"M+K+CF3COOH"	152.95602
"814151"	584.3098	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M"	0
"985495"	565.29141	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-H2O-H"	-19.01839
"71553"	388.532590666667	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M-3H"	-3.021828
"507833"	583.302524	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M-3H"	-3.021828
"884541"	193.762657333333	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-3H"	-3.021828
"12958"	583.302524	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M-2H"	-2.014552
"451433"	875.457424	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M-2H"	-2.014552
"828141"	291.147624	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-2H"	-2.014552
"84853"	1167.612324	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M-H"	-1.007276
"522590"	1751.922124	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M-H"	-1.007276
"906589"	583.302524	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-H"	-1.007276
"60966"	1184.638871	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M-2H+NH4"	16.019271
"499433"	1768.948671	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M-2H+NH4"	16.019271
"868850"	600.329071	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-2H+NH4"	16.019271
"38572"	1189.594266	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M-2H+Na"	20.974666
"476674"	1773.904066	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M-2H+Na"	20.974666
"850464"	605.284466	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-2H+Na"	20.974666
"1624378"	605.284466	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Na-2H"	20.974666
"103093"	601.290863	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M-H+Cl"	33.962126
"535729"	893.445763	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M-H+Cl"	33.962126
"930704"	309.135963	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-H+Cl"	33.962126
"267433"	1203.589002	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+Cl"	34.969402
"664964"	1787.898802	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+Cl"	34.969402
"1275181"	619.279202	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Cl"	34.969402
"19924"	1205.568206	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M-2H+K"	36.948606
"463858"	1789.878006	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M-2H+K"	36.948606
"842755"	621.258406	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-2H+K"	36.948606
"1566242"	621.258406	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+K-2H"	36.948606
"957364"	629.307994	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-H+HCOOH"	44.998194
"370889"	1213.617801	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+HCOOH-H"	44.998201
"349671"	1227.633451	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+Hac-H"	59.013851
"1495949"	643.323651	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Hac-H"	59.013851
"966043"	651.289951	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-H+NaCOOH"	66.980151
"114952"	619.279202	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+2Cl"	69.938804
"558888"	911.434102	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+2Cl"	69.938804
"1035827"	327.124302	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2Cl"	69.938804
"1253827"	663.228685	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Br"	78.918885
"1314090"	665.284672	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Cl+HCOOH"	80.974872
"1330492"	687.266629	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Cl+NaCOOH"	102.956829
"922645"	697.295386	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M-H+CF3COOH"	112.985586
"1301176"	733.272064	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Cl+CF3COOH"	148.962264
"1380067"	549.297124	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H-2H2O"	-35.012676
"1396831"	567.3071	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H-H2O"	-17.0027
"294699"	1169.626876	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+H"	1.007276
"688579"	1753.936676	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+H"	1.007276
"1362742"	585.317076	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H"	1.007276
"137448"	585.317076	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+2H"	2.014552
"575916"	877.471976	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+2H"	2.014552
"1049457"	293.162176	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2H"	2.014552
"211524"	390.547142666667	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+3H"	3.021828
"657521"	585.317076	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+3H"	3.021828
"1174315"	195.777209333333	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+3H"	3.021828
"433577"	1186.653423	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+NH4"	18.033823
"798221"	1770.963223	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+NH4"	18.033823
"1693456"	602.343623	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+NH4"	18.033823
"341371"	593.8303495	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+H+NH4"	19.041099
"734884"	885.9852495	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+H+NH4"	19.041099
"1489795"	301.6754495	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H+NH4"	19.041099
"404464"	1191.608818	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+Na"	22.989218
"768498"	1775.918618	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+Na"	22.989218
"1612099"	607.299018	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Na"	22.989218
"323228"	596.308047	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+H+Na"	23.996494
"715652"	888.462947	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+H+Na"	23.996494
"1467283"	304.153147	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H+Na"	23.996494
"1055066"	203.104523333333	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2H+Na"	25.00377
"1258932"	617.343286	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+CH3OH+H"	33.033486
"380785"	1207.582758	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+K"	38.963158
"738949"	1791.892558	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+K"	38.963158
"1542743"	623.272958	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+K"	38.963158
"307574"	604.295017	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+H+K"	39.970434
"695626"	896.449917	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+H+K"	39.970434
"1457098"	312.140117	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H+K"	39.970434
"250319"	1210.653426	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+ACN+H"	42.033826
"1220597"	626.343626	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+ACN+H"	42.033826
"1203383"	313.675451	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+ACN+2H"	43.041102
"203081"	1213.59076	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+2Na-H"	44.97116
"640938"	1797.90056	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+2Na-H"	44.97116
"1144078"	629.28096	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2Na-H"	44.97116
"181532"	607.299018	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+2Na"	45.978436
"619998"	899.453918	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+2Na"	45.978436
"1125690"	315.144118	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2Na"	45.978436
"1411041"	210.431837333333	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H+2Na"	46.985712
"1444251"	631.322546	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H+HCOOH"	47.012746
"234919"	612.33204	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+3H2O+2H"	56.04448
"1523593"	645.37459	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+IsoProp+H"	61.06479
"423273"	615.285988	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+Na+K"	61.952376
"783048"	907.440888	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+Na+K"	61.952376
"1677193"	323.131088	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Na+K"	61.952376
"260433"	1232.635368	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+ACN+Na"	64.015768
"1231688"	648.325568	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+ACN+Na"	64.015768
"1722028"	648.349093	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+NH4+HCOOH"	64.039293
"1190660"	217.759151333333	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+3Na"	68.967654
"1658367"	653.304488	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Na+HCOOH"	68.994688
"165230"	1245.53864	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+2K-H"	76.91904
"606976"	1829.84844	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+2K-H"	76.91904
"1090399"	661.22884	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2K-H"	76.91904
"147216"	623.272958	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"2M+2K"	77.926316
"585681"	915.427858	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"3M+2K"	77.926316
"1075664"	331.118058	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2K"	77.926316
"1108871"	663.243392	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2K+H"	78.933592
"1336508"	663.331007	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+DMSO+H"	79.021207
"1006252"	667.370176	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2ACN+H"	83.060376
"1525353"	668.363808	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+IsoProp+Na+H"	84.054008
"990028"	334.188726	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+2ACN+2H"	84.067652
"1587034"	669.278428	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+K+HCOOH"	84.968628
"1419623"	699.309938	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+H+CF3COOH"	115.000138
"1149912"	354.702001	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+3ACN+2H"	125.094202
"1709313"	716.336485	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+NH4+CF3COOH"	132.026685
"1647149"	721.29188	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+Na+CF3COOH"	136.98208
"1581706"	737.26582	"C08694"	"Lappaconitine"	"C32H44N2O8"	"584.3098"	"M+K+CF3COOH"	152.95602
"812074"	341.2355	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M"	0
"976492"	322.21711	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-H2O-H"	-19.01839
"73851"	226.483057333333	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M-3H"	-3.021828
"510130"	340.228224	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M-3H"	-3.021828
"885744"	112.737890666667	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-3H"	-3.021828
"14161"	340.228224	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M-2H"	-2.014552
"451540"	510.845974	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M-2H"	-2.014552
"828251"	169.610474	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-2H"	-2.014552
"84963"	681.463724	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M-H"	-1.007276
"522336"	1022.699224	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M-H"	-1.007276
"904511"	340.228224	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-H"	-1.007276
"56703"	698.490271	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M-2H+NH4"	16.019271
"492981"	1039.725771	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M-2H+NH4"	16.019271
"870782"	357.254771	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-2H+NH4"	16.019271
"36130"	703.445666	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M-2H+Na"	20.974666
"474232"	1044.681166	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M-2H+Na"	20.974666
"854220"	362.210166	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-2H+Na"	20.974666
"1627768"	362.210166	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Na-2H"	20.974666
"101016"	358.216563	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M-H+Cl"	33.962126
"538391"	528.834313	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M-H+Cl"	33.962126
"929721"	187.598813	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-H+Cl"	33.962126
"267664"	717.440402	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+Cl"	34.969402
"663981"	1058.675902	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+Cl"	34.969402
"1273711"	376.204902	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Cl"	34.969402
"16876"	719.419606	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M-2H+K"	36.948606
"463968"	1060.655106	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M-2H+K"	36.948606
"842865"	378.184106	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-2H+K"	36.948606
"1565259"	378.184106	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+K-2H"	36.948606
"956421"	386.233694	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-H+HCOOH"	44.998194
"371362"	727.469201	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+HCOOH-H"	44.998201
"353061"	741.484851	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+Hac-H"	59.013851
"1499705"	400.249351	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Hac-H"	59.013851
"963964"	408.215651	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-H+NaCOOH"	66.980151
"117248"	376.204902	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+2Cl"	69.938804
"558998"	546.822652	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+2Cl"	69.938804
"1033263"	205.587152	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2Cl"	69.938804
"1252843"	420.154385	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Br"	78.918885
"1315295"	422.210372	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Cl+HCOOH"	80.974872
"1330603"	444.192329	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Cl+NaCOOH"	102.956829
"925669"	454.221086	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M-H+CF3COOH"	112.985586
"1301650"	490.197764	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Cl+CF3COOH"	148.962264
"1378355"	306.222824	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H-2H2O"	-35.012676
"1396942"	324.2328	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H-H2O"	-17.0027
"296628"	683.478276	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+H"	1.007276
"688689"	1024.713776	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+H"	1.007276
"1365767"	342.242776	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H"	1.007276
"137558"	342.242776	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+2H"	2.014552
"572746"	512.860526	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+2H"	2.014552
"1051265"	171.625026	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2H"	2.014552
"212729"	228.497609333333	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+3H"	3.021828
"656301"	342.242776	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+3H"	3.021828
"1176248"	114.752442666667	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+3H"	3.021828
"437699"	700.504823	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+NH4"	18.033823
"798694"	1041.740323	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+NH4"	18.033823
"1695025"	359.269323	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+NH4"	18.033823
"341478"	350.7560495	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+H+NH4"	19.041099
"734994"	521.3737995	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+H+NH4"	19.041099
"1490634"	180.1382995	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H+NH4"	19.041099
"406394"	705.460218	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+Na"	22.989218
"768729"	1046.695718	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+Na"	22.989218
"1611116"	364.224718	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Na"	22.989218
"322245"	353.233747	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+H+Na"	23.996494
"715762"	523.851497	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+H+Na"	23.996494
"1464114"	182.615997	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H+Na"	23.996494
"1054811"	122.079756666667	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2H+Na"	25.00377
"1261229"	374.268986	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+CH3OH+H"	33.033486
"380167"	721.434158	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+K"	38.963158
"741528"	1062.669658	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+K"	38.963158
"1543950"	380.198658	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+K"	38.963158
"302219"	361.220717	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+H+K"	39.970434
"692453"	531.838467	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+H+K"	39.970434
"1451741"	190.602967	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H+K"	39.970434
"250795"	724.504826	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+ACN+H"	42.033826
"1218518"	383.269326	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+ACN+H"	42.033826
"1201306"	192.138301	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+ACN+2H"	43.041102
"202461"	727.44216	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+2Na-H"	44.97116
"642263"	1068.67766	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+2Na-H"	44.97116
"1144434"	386.20666	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2Na-H"	44.97116
"186991"	364.224718	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+2Na"	45.978436
"622295"	534.842468	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+2Na"	45.978436
"1123613"	193.606968	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2Na"	45.978436
"1412244"	129.407070666667	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H+2Na"	46.985712
"1441442"	388.248246	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H+HCOOH"	47.012746
"234419"	369.25774	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+3H2O+2H"	56.04448
"1523214"	402.30029	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+IsoProp+H"	61.06479
"423993"	372.211688	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+Na+K"	61.952376
"782431"	542.829438	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+Na+K"	61.952376
"1675116"	201.593938	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Na+K"	61.952376
"263823"	746.486768	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+ACN+Na"	64.015768
"1230705"	405.251268	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+ACN+Na"	64.015768
"1718862"	405.274793	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+NH4+HCOOH"	64.039293
"1190770"	136.734384666667	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+3Na"	68.967654
"1659570"	410.230188	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Na+HCOOH"	68.994688
"163517"	759.39004	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+2K-H"	76.91904
"604901"	1100.62554	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+2K-H"	76.91904
"1089779"	418.15454	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2K-H"	76.91904
"147325"	380.198658	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"2M+2K"	77.926316
"584332"	550.816408	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"3M+2K"	77.926316
"1075773"	209.580908	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2K"	77.926316
"1106796"	420.169092	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2K+H"	78.933592
"1339900"	420.256707	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+DMSO+H"	79.021207
"1008430"	424.295876	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2ACN+H"	83.060376
"1526557"	425.289508	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+IsoProp+Na+H"	84.054008
"993004"	212.651576	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+2ACN+2H"	84.067652
"1589694"	426.204128	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+K+HCOOH"	84.968628
"1421923"	456.235638	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+H+CF3COOH"	115.000138
"1150022"	233.164851	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+3ACN+2H"	125.094202
"1703954"	473.262185	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+NH4+CF3COOH"	132.026685
"1647990"	478.21758	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+Na+CF3COOH"	136.98208
"1581816"	494.19152	"C08695"	"Lindheimerine"	"C22H31NO2"	"341.2355"	"M+K+CF3COOH"	152.95602
"813277"	668.3309	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M"	0
"979154"	649.31251	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-H2O-H"	-19.01839
"73961"	444.546657333333	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M-3H"	-3.021828
"506960"	667.323624	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M-3H"	-3.021828
"884761"	221.769690666667	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-3H"	-3.021828
"14271"	667.323624	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M-2H"	-2.014552
"449463"	1001.489074	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M-2H"	-2.014552
"827264"	333.158174	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-2H"	-2.014552
"85073"	1335.654524	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M-H"	-1.007276
"523539"	2003.985424	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M-H"	-1.007276
"904621"	667.323624	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-H"	-1.007276
"56813"	1352.681071	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M-2H+NH4"	16.019271
"493091"	2021.011971	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M-2H+NH4"	16.019271
"870892"	684.350171	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-2H+NH4"	16.019271
"35876"	1357.636466	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M-2H+Na"	20.974666
"473732"	2025.967366	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M-2H+Na"	20.974666
"854330"	689.305566	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-2H+Na"	20.974666
"1627878"	689.305566	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Na-2H"	20.974666
"101126"	685.311963	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M-H+Cl"	33.962126
"538501"	1019.477413	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M-H+Cl"	33.962126
"929831"	351.146513	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-H+Cl"	33.962126
"268383"	1371.631202	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+Cl"	34.969402
"662267"	2039.962102	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+Cl"	34.969402
"1275401"	703.300302	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Cl"	34.969402
"17958"	1373.610406	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M-2H+K"	36.948606
"464078"	2041.941306	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M-2H+K"	36.948606
"839695"	705.279506	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-2H+K"	36.948606
"1565369"	705.279506	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+K-2H"	36.948606
"953251"	713.329094	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-H+HCOOH"	44.998194
"366005"	1381.660001	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+HCOOH-H"	44.998201
"349160"	1395.675651	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+Hac-H"	59.013851
"1496533"	727.344751	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Hac-H"	59.013851
"962981"	735.311051	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-H+NaCOOH"	66.980151
"114077"	703.300302	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+2Cl"	69.938804
"558010"	1037.465752	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+2Cl"	69.938804
"1031186"	369.134852	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2Cl"	69.938804
"1252953"	747.249785	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Br"	78.918885
"1317224"	749.305772	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Cl+HCOOH"	80.974872
"1333263"	771.287729	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Cl+NaCOOH"	102.956829
"924686"	781.316486	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M-H+CF3COOH"	112.985586
"1301757"	817.293164	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Cl+CF3COOH"	148.962264
"1379921"	633.318224	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H-2H2O"	-35.012676
"1394137"	651.3282	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H-H2O"	-17.0027
"296008"	1337.669076	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+H"	1.007276
"685152"	2005.999976	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+H"	1.007276
"1365874"	669.338176	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H"	1.007276
"138761"	669.338176	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+2H"	2.014552
"577229"	1003.503626	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+2H"	2.014552
"1049311"	335.172726	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2H"	2.014552
"209559"	446.561209333333	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+3H"	3.021828
"656772"	669.338176	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+3H"	3.021828
"1177937"	223.784242666667	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+3H"	3.021828
"438900"	1354.695623	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+NH4"	18.033823
"798072"	2023.026523	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+NH4"	18.033823
"1692217"	686.364723	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+NH4"	18.033823
"341588"	677.8514495	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+H+NH4"	19.041099
"732917"	1012.0168995	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+H+NH4"	19.041099
"1489651"	343.6859995	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H+NH4"	19.041099
"405410"	1359.651018	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+Na"	22.989218
"765314"	2027.981918	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+Na"	22.989218
"1610133"	691.320118	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Na"	22.989218
"322355"	680.329147	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+H+Na"	23.996494
"714779"	1014.494597	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+H+Na"	23.996494
"1464225"	346.163697	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H+Na"	23.996494
"1056381"	231.111556666667	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2H+Na"	25.00377
"1262432"	701.364386	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+CH3OH+H"	33.033486
"380641"	1375.624958	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+K"	38.963158
"742002"	2043.955858	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+K"	38.963158
"1542234"	707.294058	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+K"	38.963158
"303422"	688.316117	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+H+K"	39.970434
"695114"	1022.481567	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+H+K"	39.970434
"1451850"	354.150667	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H+K"	39.970434
"248473"	1378.695626	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+ACN+H"	42.033826
"1219723"	710.364726	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+ACN+H"	42.033826
"1198135"	355.686001	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+ACN+2H"	43.041102
"200503"	1381.63296	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+2Na-H"	44.97116
"642494"	2049.96386	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+2Na-H"	44.97116
"1145636"	713.30206	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2Na-H"	44.97116
"184305"	691.320118	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+2Na"	45.978436
"622405"	1025.485568	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+2Na"	45.978436
"1123722"	357.154668	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2Na"	45.978436
"1411989"	238.438870666667	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H+2Na"	46.985712
"1441552"	715.343646	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H+HCOOH"	47.012746
"234285"	696.35314	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+3H2O+2H"	56.04448
"1523452"	729.39569	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+IsoProp+H"	61.06479
"423822"	699.307088	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+Na+K"	61.952376
"784121"	1033.472538	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+Na+K"	61.952376
"1675226"	365.141638	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Na+K"	61.952376
"263933"	1400.677568	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+ACN+Na"	64.015768
"1230087"	732.346668	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+ACN+Na"	64.015768
"1718243"	732.370193	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+NH4+HCOOH"	64.039293
"1189787"	245.766184666667	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+3Na"	68.967654
"1659680"	737.325588	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Na+HCOOH"	68.994688
"165450"	1413.58084	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+2K-H"	76.91904
"604282"	2081.91174	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+2K-H"	76.91904
"1091710"	745.24994	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2K-H"	76.91904
"146341"	707.294058	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"2M+2K"	77.926316
"584807"	1041.459508	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"3M+2K"	77.926316
"1076975"	373.128608	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2K"	77.926316
"1106906"	747.264492	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2K+H"	78.933592
"1338917"	747.352107	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+DMSO+H"	79.021207
"1006475"	751.391276	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2ACN+H"	83.060376
"1525695"	752.384908	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+IsoProp+Na+H"	84.054008
"992385"	376.199276	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+2ACN+2H"	84.067652
"1587101"	753.299528	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+K+HCOOH"	84.968628
"1423126"	783.331038	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+H+CF3COOH"	115.000138
"1150132"	396.712551	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+3ACN+2H"	125.094202
"1702971"	800.357585	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+NH4+CF3COOH"	132.026685
"1647370"	805.31298	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+Na+CF3COOH"	136.98208
"1581926"	821.28692	"C08696"	"Lycaconitine"	"C36H48N2O10"	"668.3309"	"M+K+CF3COOH"	152.95602
"814116"	467.2883	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M"	0
"979264"	448.26991	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-H2O-H"	-19.01839
"75164"	310.518257333333	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M-3H"	-3.021828
"509257"	466.281024	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M-3H"	-3.021828
"885964"	154.755490666667	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-3H"	-3.021828
"14017"	466.281024	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M-2H"	-2.014552
"448480"	699.925174	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M-2H"	-2.014552
"827374"	232.636874	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-2H"	-2.014552
"84089"	933.569324	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M-H"	-1.007276
"529116"	1400.857624	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M-H"	-1.007276
"904731"	466.281024	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-H"	-1.007276
"50725"	950.595871	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M-2H+NH4"	16.019271
"493201"	1417.884171	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M-2H+NH4"	16.019271
"871002"	483.307571	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-2H+NH4"	16.019271
"35985"	955.551266	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M-2H+Na"	20.974666
"473356"	1422.839566	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M-2H+Na"	20.974666
"853346"	488.262966	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-2H+Na"	20.974666
"1630904"	488.262966	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Na-2H"	20.974666
"106703"	484.269363	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M-H+Cl"	33.962126
"538611"	717.913513	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M-H+Cl"	33.962126
"930669"	250.625213	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-H+Cl"	33.962126
"269224"	969.546002	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+Cl"	34.969402
"664201"	1436.834302	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+Cl"	34.969402
"1275511"	502.257702	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Cl"	34.969402
"18068"	971.525206	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M-2H+K"	36.948606
"464188"	1438.813506	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M-2H+K"	36.948606
"841992"	504.236906	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-2H+K"	36.948606
"1563292"	504.236906	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+K-2H"	36.948606
"955184"	512.286494	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-H+HCOOH"	44.998194
"366114"	979.574801	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+HCOOH-H"	44.998201
"349999"	993.590451	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+Hac-H"	59.013851
"1497736"	526.302151	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Hac-H"	59.013851
"964184"	534.268451	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-H+NaCOOH"	66.980151
"115279"	502.257702	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+2Cl"	69.938804
"559212"	735.901852	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+2Cl"	69.938804
"1031296"	268.613552	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2Cl"	69.938804
"1253061"	546.207185	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Br"	78.918885
"1315509"	548.263172	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Cl+HCOOH"	80.974872
"1333006"	570.245129	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Cl+NaCOOH"	102.956829
"925889"	580.273886	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M-H+CF3COOH"	112.985586
"1301140"	616.250564	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Cl+CF3COOH"	148.962264
"1377843"	432.275624	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H-2H2O"	-35.012676
"1393882"	450.2856	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H-H2O"	-17.0027
"293932"	935.583876	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+H"	1.007276
"684168"	1402.872176	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+H"	1.007276
"1362703"	468.295576	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H"	1.007276
"134498"	468.295576	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+2H"	2.014552
"570413"	701.939726	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+2H"	2.014552
"1050878"	234.651426	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2H"	2.014552
"205655"	312.532809333333	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+3H"	3.021828
"647767"	468.295576	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+3H"	3.021828
"1169539"	156.770042666667	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+3H"	3.021828
"433906"	952.610423	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+NH4"	18.033823
"795995"	1419.898723	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+NH4"	18.033823
"1691233"	485.322123	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+NH4"	18.033823
"336231"	476.8088495	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+H+NH4"	19.041099
"730839"	710.4529995	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+H+NH4"	19.041099
"1481379"	243.1646995	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H+NH4"	19.041099
"400059"	957.565818	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+Na"	22.989218
"762145"	1424.854118	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+Na"	22.989218
"1608055"	490.277518	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Na"	22.989218
"318092"	479.286547	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+H+Na"	23.996494
"714889"	712.930697	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+H+Na"	23.996494
"1462636"	245.642397	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H+Na"	23.996494
"1053933"	164.097356666667	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2H+Na"	25.00377
"1257189"	500.321786	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+CH3OH+H"	33.033486
"379293"	973.539758	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+K"	38.963158
"739317"	1440.828058	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+K"	38.963158
"1542342"	506.251458	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+K"	38.963158
"302438"	487.273517	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+H+K"	39.970434
"692183"	720.917667	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+H+K"	39.970434
"1446125"	253.629367	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H+K"	39.970434
"242749"	976.610426	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+ACN+H"	42.033826
"1215458"	509.322126	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+ACN+H"	42.033826
"1197152"	255.164701	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+ACN+2H"	43.041102
"201706"	979.54776	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+2Na-H"	44.97116
"642725"	1446.83606	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+2Na-H"	44.97116
"1146109"	512.25946	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2Na-H"	44.97116
"185143"	490.277518	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+2Na"	45.978436
"622515"	723.921668	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+2Na"	45.978436
"1122740"	256.633368	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2Na"	45.978436
"1404080"	171.424670666667	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H+2Na"	46.985712
"1438382"	514.301046	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H+HCOOH"	47.012746
"234272"	495.31054	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+3H2O+2H"	56.04448
"1523963"	528.35309	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+IsoProp+H"	61.06479
"423977"	498.264488	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+Na+K"	61.952376
"784472"	731.908638	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+Na+K"	61.952376
"1673514"	264.620338	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Na+K"	61.952376
"259670"	998.592368	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+ACN+Na"	64.015768
"1230197"	531.304068	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+ACN+Na"	64.015768
"1721264"	531.327593	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+NH4+HCOOH"	64.039293
"1186619"	178.751984666667	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+3Na"	68.967654
"1658697"	536.282988	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Na+HCOOH"	68.994688
"164467"	1011.49564	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+2K-H"	76.91904
"601477"	1478.78394	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+2K-H"	76.91904
"1090727"	544.20734	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2K-H"	76.91904
"146451"	506.251458	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"2M+2K"	77.926316
"583824"	739.895608	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"3M+2K"	77.926316
"1073805"	272.607308	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2K"	77.926316
"1104828"	546.221892	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2K+H"	78.933592
"1337082"	546.309507	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+DMSO+H"	79.021207
"1007069"	550.348676	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2ACN+H"	83.060376
"1525314"	551.342308	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+IsoProp+Na+H"	84.054008
"990914"	275.677976	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+2ACN+2H"	84.067652
"1587477"	552.256928	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+K+HCOOH"	84.968628
"1423236"	582.288438	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+H+CF3COOH"	115.000138
"1151335"	296.191251	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+3ACN+2H"	125.094202
"1703081"	599.314985	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+NH4+CF3COOH"	132.026685
"1647480"	604.27038	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+Na+CF3COOH"	136.98208
"1582036"	620.24432	"C08697"	"Lycoctonine"	"C25H41NO7"	"467.2883"	"M+K+CF3COOH"	152.95602
"815683"	631.2993	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M"	0
"979374"	612.28091	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-H2O-H"	-19.01839
"75274"	419.858924	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M-3H"	-3.021828
"509367"	630.292024	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M-3H"	-3.021828
"886075"	209.425824	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-3H"	-3.021828
"12304"	630.292024	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M-2H"	-2.014552
"446403"	945.941674	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M-2H"	-2.014552
"828579"	314.642374	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-2H"	-2.014552
"91852"	1261.591324	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M-H"	-1.007276
"531414"	1892.890624	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M-H"	-1.007276
"904841"	630.292024	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-H"	-1.007276
"58124"	1278.617871	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M-2H+NH4"	16.019271
"498779"	1909.917171	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M-2H+NH4"	16.019271
"872206"	647.318571	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-2H+NH4"	16.019271
"36826"	1283.573266	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M-2H+Na"	20.974666
"477113"	1914.872566	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M-2H+Na"	20.974666
"854550"	652.273966	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-2H+Na"	20.974666
"1621533"	652.273966	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Na-2H"	20.974666
"105720"	648.280363	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M-H+Cl"	33.962126
"540907"	963.930013	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M-H+Cl"	33.962126
"931872"	332.630713	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-H+Cl"	33.962126
"270429"	1297.568002	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+Cl"	34.969402
"664675"	1928.867302	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+Cl"	34.969402
"1278171"	666.268702	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Cl"	34.969402
"18053"	1299.547206	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M-2H+K"	36.948606
"464298"	1930.846506	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M-2H+K"	36.948606
"843194"	668.247906	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-2H+K"	36.948606
"1565589"	668.247906	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+K-2H"	36.948606
"953469"	676.297494	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-H+HCOOH"	44.998194
"369503"	1307.596801	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+HCOOH-H"	44.998201
"352296"	1321.612451	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+Hac-H"	59.013851
"1501128"	690.313151	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Hac-H"	59.013851
"968668"	698.279451	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-H+NaCOOH"	66.980151
"120857"	666.268702	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+2Cl"	69.938804
"562603"	981.918352	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+2Cl"	69.938804
"1036631"	350.619052	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2Cl"	69.938804
"1254266"	710.218185	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Br"	78.918885
"1315620"	712.274172	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Cl+HCOOH"	80.974872
"1334214"	734.256129	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Cl+NaCOOH"	102.956829
"926366"	744.284886	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M-H+CF3COOH"	112.985586
"1303806"	780.261564	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Cl+CF3COOH"	148.962264
"1381721"	596.286624	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H-2H2O"	-35.012676
"1398433"	614.2966	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H-H2O"	-17.0027
"297324"	1263.605876	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+H"	1.007276
"687557"	1894.905176	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+H"	1.007276
"1364638"	632.306576	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H"	1.007276
"138981"	632.306576	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+2H"	2.014552
"568338"	947.956226	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+2H"	2.014552
"1042970"	316.656926	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2H"	2.014552
"210872"	421.873476	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+3H"	3.021828
"647877"	632.306576	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+3H"	3.021828
"1168920"	211.440376	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+3H"	3.021828
"428913"	1280.632423	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+NH4"	18.033823
"792824"	1911.931723	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+NH4"	18.033823
"1690250"	649.333123	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+NH4"	18.033823
"340715"	640.8198495	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+H+NH4"	19.041099
"730948"	956.4694995	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+H+NH4"	19.041099
"1486957"	325.1701995	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H+NH4"	19.041099
"404543"	1285.587818	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+Na"	22.989218
"766630"	1916.887118	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+Na"	22.989218
"1605978"	654.288518	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Na"	22.989218
"318206"	643.297547	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+H+Na"	23.996494
"711722"	958.947197	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+H+Na"	23.996494
"1466638"	327.647897	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H+Na"	23.996494
"1055511"	218.76769	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2H+Na"	25.00377
"1258642"	664.332786	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+CH3OH+H"	33.033486
"379405"	1301.561758	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+K"	38.963158
"741128"	1932.861058	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+K"	38.963158
"1541725"	670.262458	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+K"	38.963158
"301454"	651.284517	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+H+K"	39.970434
"693145"	966.934167	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+H+K"	39.970434
"1449883"	335.634867	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H+K"	39.970434
"240673"	1304.632426	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+ACN+H"	42.033826
"1216661"	673.333126	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+ACN+H"	42.033826
"1196532"	337.170201	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+ACN+2H"	43.041102
"197799"	1307.56976	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+2Na-H"	44.97116
"643809"	1938.86906	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+2Na-H"	44.97116
"1146340"	676.27046	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2Na-H"	44.97116
"185253"	654.288518	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+2Na"	45.978436
"625907"	969.938168	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+2Na"	45.978436
"1126132"	338.638868	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2Na"	45.978436
"1409658"	226.095004	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H+2Na"	46.985712
"1437399"	678.312046	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H+HCOOH"	47.012746
"224178"	659.32154	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+3H2O+2H"	56.04448
"1517342"	692.36409	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+IsoProp+H"	61.06479
"420307"	662.275488	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+Na+K"	61.952376
"782395"	977.925138	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+Na+K"	61.952376
"1672171"	346.625838	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Na+K"	61.952376
"259785"	1326.614368	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+ACN+Na"	64.015768
"1228847"	695.315068	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+ACN+Na"	64.015768
"1720279"	695.338593	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+NH4+HCOOH"	64.039293
"1186728"	233.422318	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+3Na"	68.967654
"1654797"	700.293988	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Na+HCOOH"	68.994688
"167857"	1339.51764	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+2K-H"	76.91904
"605230"	1970.81694	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+2K-H"	76.91904
"1088652"	708.21834	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2K-H"	76.91904
"144374"	670.262458	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"2M+2K"	77.926316
"583205"	985.912108	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"3M+2K"	77.926316
"1070637"	354.612808	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2K"	77.926316
"1101655"	710.232892	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2K+H"	78.933592
"1336214"	710.320507	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+DMSO+H"	79.021207
"1009129"	714.359676	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2ACN+H"	83.060376
"1526037"	715.353308	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+IsoProp+Na+H"	84.054008
"993337"	357.683476	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+2ACN+2H"	84.067652
"1590025"	716.267928	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+K+HCOOH"	84.968628
"1418970"	746.299438	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+H+CF3COOH"	115.000138
"1148163"	378.196751	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+3ACN+2H"	125.094202
"1708659"	763.325985	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+NH4+CF3COOH"	132.026685
"1647589"	768.28138	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+Na+CF3COOH"	136.98208
"1582146"	784.25532	"C08698"	"Mesaconitine"	"C33H45NO11"	"631.2993"	"M+K+CF3COOH"	152.95602
"811421"	682.3465	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M"	0
"979484"	663.32811	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-H2O-H"	-19.01839
"68820"	453.890390666667	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M-3H"	-3.021828
"509472"	681.339224	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M-3H"	-3.021828
"882172"	226.441557333333	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-3H"	-3.021828
"1720"	681.339224	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M-2H"	-2.014552
"450887"	1022.512474	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M-2H"	-2.014552
"830877"	340.165974	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-2H"	-2.014552
"93056"	1363.685724	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M-H"	-1.007276
"526056"	2046.032224	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M-H"	-1.007276
"900577"	681.339224	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-H"	-1.007276
"53856"	1380.712271	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M-2H+NH4"	16.019271
"489772"	2063.058771	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M-2H+NH4"	16.019271
"867940"	698.365771	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-2H+NH4"	16.019271
"33289"	1385.667666	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M-2H+Na"	20.974666
"473942"	2068.014166	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M-2H+Na"	20.974666
"848826"	703.321166	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-2H+Na"	20.974666
"1621643"	703.321166	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Na-2H"	20.974666
"94367"	699.327563	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M-H+Cl"	33.962126
"536642"	1040.500813	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M-H+Cl"	33.962126
"934531"	358.154313	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-H+Cl"	33.962126
"274180"	1399.662402	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+Cl"	34.969402
"661868"	2082.008902	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+Cl"	34.969402
"1274998"	717.315902	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Cl"	34.969402
"22657"	1401.641606	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M-2H+K"	36.948606
"461127"	2083.988106	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M-2H+K"	36.948606
"845495"	719.295106	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-2H+K"	36.948606
"1568978"	719.295106	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+K-2H"	36.948606
"953579"	727.344694	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-H+HCOOH"	44.998194
"367427"	1409.691201	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+HCOOH-H"	44.998201
"349488"	1423.706851	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+Hac-H"	59.013851
"1497591"	741.360351	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Hac-H"	59.013851
"964768"	749.326651	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-H+NaCOOH"	66.980151
"117687"	717.315902	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+2Cl"	69.938804
"559434"	1058.489152	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+2Cl"	69.938804
"1030422"	376.142652	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2Cl"	69.938804
"1250001"	761.265385	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Br"	78.918885
"1312450"	763.321372	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Cl+HCOOH"	80.974872
"1334320"	785.303329	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Cl+NaCOOH"	102.956829
"924648"	795.332086	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M-H+CF3COOH"	112.985586
"1303787"	831.308764	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Cl+CF3COOH"	148.962264
"1380615"	647.333824	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H-2H2O"	-35.012676
"1397020"	665.3438	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H-H2O"	-17.0027
"297796"	1365.700276	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+H"	1.007276
"688760"	2048.046776	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+H"	1.007276
"1363651"	683.353776	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H"	1.007276
"139821"	683.353776	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+2H"	2.014552
"573186"	1024.527026	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+2H"	2.014552
"1041986"	342.180526	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2H"	2.014552
"206970"	455.904942666667	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+3H"	3.021828
"648718"	683.353776	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+3H"	3.021828
"1167572"	228.456109333333	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+3H"	3.021828
"429022"	1382.726823	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+NH4"	18.033823
"795122"	2065.073323	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+NH4"	18.033823
"1693639"	700.380323	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+NH4"	18.033823
"338638"	691.8670495	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+H+NH4"	19.041099
"731059"	1033.0402995	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+H+NH4"	19.041099
"1484880"	350.6937995	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H+NH4"	19.041099
"406113"	1387.682218	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+Na"	22.989218
"765649"	2070.028718	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+Na"	22.989218
"1606088"	705.335718	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Na"	22.989218
"318316"	694.344747	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+H+Na"	23.996494
"710739"	1035.517997	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+H+Na"	23.996494
"1466750"	353.171497	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H+Na"	23.996494
"1054528"	235.783423333333	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2H+Na"	25.00377
"1259117"	715.379986	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+CH3OH+H"	33.033486
"380244"	1403.656158	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+K"	38.963158
"739782"	2086.002658	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+K"	38.963158
"1541107"	721.309658	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+K"	38.963158
"300836"	702.331717	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+H+K"	39.970434
"693986"	1043.504967	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+H+K"	39.970434
"1446714"	361.158467	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H+K"	39.970434
"239689"	1406.726826	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+ACN+H"	42.033826
"1216773"	724.380326	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+ACN+H"	42.033826
"1198467"	362.693801	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+ACN+2H"	43.041102
"192075"	1409.66416	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+2Na-H"	44.97116
"639663"	2092.01066	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+2Na-H"	44.97116
"1146410"	727.31766	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2Na-H"	44.97116
"185363"	705.335718	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+2Na"	45.978436
"619455"	1046.508968	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+2Na"	45.978436
"1122960"	364.162468	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2Na"	45.978436
"1406485"	243.110737333333	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H+2Na"	46.985712
"1434227"	729.359246	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H+HCOOH"	47.012746
"230482"	710.36874	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+3H2O+2H"	56.04448
"1523647"	743.41129	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+IsoProp+H"	61.06479
"423332"	713.322688	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+Na+K"	61.952376
"783234"	1054.495938	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+Na+K"	61.952376
"1672281"	372.149438	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Na+K"	61.952376
"259895"	1428.708768	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+ACN+Na"	64.015768
"1229324"	746.362268	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+ACN+Na"	64.015768
"1719661"	746.385793	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+NH4+HCOOH"	64.039293
"1185745"	250.438051333333	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+3Na"	68.967654
"1654543"	751.341188	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Na+HCOOH"	68.994688
"164685"	1441.61204	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+2K-H"	76.91904
"600603"	2123.95854	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+2K-H"	76.91904
"1089859"	759.26554	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2K-H"	76.91904
"142418"	721.309658	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"2M+2K"	77.926316
"583072"	1062.482908	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"3M+2K"	77.926316
"1069041"	380.136408	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2K"	77.926316
"1102861"	761.280092	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2K+H"	78.933592
"1335951"	761.367707	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+DMSO+H"	79.021207
"1008146"	765.406876	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2ACN+H"	83.060376
"1526998"	766.400508	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+IsoProp+Na+H"	84.054008
"993448"	383.207076	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+2ACN+2H"	84.067652
"1588434"	767.315128	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+K+HCOOH"	84.968628
"1421267"	797.346638	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+H+CF3COOH"	115.000138
"1151553"	403.720351	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+3ACN+2H"	125.094202
"1703301"	814.373185	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+NH4+CF3COOH"	132.026685
"1647699"	819.32858	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+Na+CF3COOH"	136.98208
"1582256"	835.30252	"C08699"	"Methyllycaconitine"	"C37H50N2O10"	"682.3465"	"M+K+CF3COOH"	152.95602
"813717"	359.246	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M"	0
"982874"	340.22761	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-H2O-H"	-19.01839
"74398"	238.490057333333	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M-3H"	-3.021828
"517237"	358.238724	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M-3H"	-3.021828
"885199"	118.741390666667	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-3H"	-3.021828
"2683"	358.238724	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M-2H"	-2.014552
"446619"	537.861724	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M-2H"	-2.014552
"830987"	178.615724	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-2H"	-2.014552
"89883"	717.484724	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M-H"	-1.007276
"530541"	1076.730724	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M-H"	-1.007276
"901051"	358.238724	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-H"	-1.007276
"51051"	734.511271	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M-2H+NH4"	16.019271
"489153"	1093.757271	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M-2H+NH4"	16.019271
"866957"	375.265271	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-2H+NH4"	16.019271
"33396"	739.466666	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M-2H+Na"	20.974666
"473321"	1098.712666	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M-2H+Na"	20.974666
"849786"	380.220666	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-2H+Na"	20.974666
"1621389"	380.220666	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Na-2H"	20.974666
"95119"	376.227063	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M-H+Cl"	33.962126
"542221"	555.850063	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M-H+Cl"	33.962126
"933548"	196.604063	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-H+Cl"	33.962126
"274290"	753.461402	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+Cl"	34.969402
"661250"	1112.707402	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+Cl"	34.969402
"1278027"	394.215402	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Cl"	34.969402
"20582"	755.440606	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M-2H+K"	36.948606
"461237"	1114.686606	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M-2H+K"	36.948606
"846331"	396.194606	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-2H+K"	36.948606
"1568724"	396.194606	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+K-2H"	36.948606
"953689"	404.244194	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-H+HCOOH"	44.998194
"366445"	763.490201	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+HCOOH-H"	44.998201
"350330"	777.505851	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+Hac-H"	59.013851
"1497340"	418.259851	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Hac-H"	59.013851
"964516"	426.226151	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-H+NaCOOH"	66.980151
"115975"	394.215402	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+2Cl"	69.938804
"557357"	573.838402	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+2Cl"	69.938804
"1027251"	214.592402	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2Cl"	69.938804
"1247923"	438.164885	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Br"	78.918885
"1314746"	440.220872	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Cl+HCOOH"	80.974872
"1331148"	462.202829	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Cl+NaCOOH"	102.956829
"923299"	472.231586	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M-H+CF3COOH"	112.985586
"1302194"	508.208264	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Cl+CF3COOH"	148.962264
"1381817"	324.233324	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H-2H2O"	-35.012676
"1395666"	342.2433	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H-H2O"	-17.0027
"296448"	719.499276	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+H"	1.007276
"689235"	1078.745276	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+H"	1.007276
"1364852"	360.253276	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H"	1.007276
"135925"	360.253276	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+2H"	2.014552
"575483"	539.876276	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+2H"	2.014552
"1039544"	180.630276	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2H"	2.014552
"208904"	240.504609333333	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+3H"	3.021828
"647734"	360.253276	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+3H"	3.021828
"1167683"	120.755942666667	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+3H"	3.021828
"434237"	736.525823	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+NH4"	18.033823
"794138"	1095.771823	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+NH4"	18.033823
"1691564"	377.279823	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+NH4"	18.033823
"338747"	368.7665495	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+H+NH4"	19.041099
"735544"	548.3895495	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+H+NH4"	19.041099
"1489365"	189.1435495	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H+NH4"	19.041099
"404763"	741.481218	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+Na"	22.989218
"763572"	1100.727218	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+Na"	22.989218
"1610573"	382.235218	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Na"	22.989218
"319516"	371.244247	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+H+Na"	23.996494
"711938"	550.867247	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+H+Na"	23.996494
"1465762"	191.621247	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H+Na"	23.996494
"1056825"	128.083256666667	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2H+Na"	25.00377
"1259595"	392.279486	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+CH3OH+H"	33.033486
"378291"	757.455158	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+K"	38.963158
"739649"	1116.701158	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+K"	38.963158
"1542312"	398.209158	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+K"	38.963158
"304227"	379.231217	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+H+K"	39.970434
"699565"	558.854217	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+H+K"	39.970434
"1451199"	199.608217	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H+K"	39.970434
"245268"	760.525826	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+ACN+H"	42.033826
"1221258"	401.279826	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+ACN+H"	42.033826
"1202953"	201.143551	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+ACN+2H"	43.041102
"200564"	763.46316	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+2Na-H"	44.97116
"642326"	1122.70916	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+2Na-H"	44.97116
"1142187"	404.21716	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2Na-H"	44.97116
"184018"	382.235218	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+2Na"	45.978436
"622846"	561.858218	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+2Na"	45.978436
"1127445"	202.612218	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2Na"	45.978436
"1403316"	135.410570666667	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H+2Na"	46.985712
"1438712"	406.258746	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H+HCOOH"	47.012746
"228406"	387.26824	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+3H2O+2H"	56.04448
"1520114"	420.31079	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+IsoProp+H"	61.06479
"423082"	390.222188	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+Na+K"	61.952376
"784440"	569.845188	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+Na+K"	61.952376
"1672391"	210.599188	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Na+K"	61.952376
"261099"	782.507768	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+ACN+Na"	64.015768
"1234903"	423.261768	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+ACN+Na"	64.015768
"1716859"	423.285293	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+NH4+HCOOH"	64.039293
"1185854"	142.737884666667	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+3Na"	68.967654
"1653924"	428.240688	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Na+HCOOH"	68.994688
"162973"	795.41104	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+2K-H"	76.91904
"600349"	1154.65704	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+2K-H"	76.91904
"1087779"	436.16504	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2K-H"	76.91904
"145690"	398.209158	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"2M+2K"	77.926316
"582332"	577.832158	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"3M+2K"	77.926316
"1069884"	218.586158	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2K"	77.926316
"1099953"	438.179592	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2K+H"	78.933592
"1335866"	438.267207	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+DMSO+H"	79.021207
"1008985"	442.306376	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2ACN+H"	83.060376
"1527108"	443.300008	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+IsoProp+Na+H"	84.054008
"994651"	221.656826	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+2ACN+2H"	84.067652
"1590248"	444.214628	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+K+HCOOH"	84.968628
"1421377"	474.246138	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+H+CF3COOH"	115.000138
"1150570"	242.170101	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+3ACN+2H"	125.094202
"1703411"	491.272685	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+NH4+CF3COOH"	132.026685
"1647809"	496.22808	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+Na+CF3COOH"	136.98208
"1582366"	512.20202	"C08700"	"Napelline"	"C22H33NO3"	"359.246"	"M+K+CF3COOH"	152.95602
"812732"	407.2672	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M"	0
"975814"	388.24881	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-H2O-H"	-19.01839
"69040"	270.504190666667	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M-3H"	-3.021828
"512972"	406.259924	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M-3H"	-3.021828
"883122"	134.748457333333	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-3H"	-3.021828
"6070"	406.259924	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M-2H"	-2.014552
"448916"	609.893524	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M-2H"	-2.014552
"830733"	202.626324	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-2H"	-2.014552
"89993"	813.527124	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M-H"	-1.007276
"527371"	1220.794324	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M-H"	-1.007276
"900067"	406.259924	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-H"	-1.007276
"51890"	830.553671	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M-2H+NH4"	16.019271
"489992"	1237.820871	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M-2H+NH4"	16.019271
"866699"	423.286471	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-2H+NH4"	16.019271
"32167"	835.509066	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M-2H+Na"	20.974666
"471968"	1242.776266	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M-2H+Na"	20.974666
"849648"	428.241866	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-2H+Na"	20.974666
"1619182"	428.241866	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Na-2H"	20.974666
"94823"	424.248263	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M-H+Cl"	33.962126
"536862"	627.881863	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M-H+Cl"	33.962126
"933658"	220.614663	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-H+Cl"	33.962126
"272213"	849.503802	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+Cl"	34.969402
"661481"	1256.771002	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+Cl"	34.969402
"1274857"	442.236602	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Cl"	34.969402
"20692"	851.483006	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M-2H+K"	36.948606
"463532"	1258.750206	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M-2H+K"	36.948606
"845710"	444.215806	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-2H+K"	36.948606
"1565919"	444.215806	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+K-2H"	36.948606
"951611"	452.265394	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-H+HCOOH"	44.998194
"362297"	859.532601	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+HCOOH-H"	44.998201
"347155"	873.548251	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+Hac-H"	59.013851
"1493066"	466.281051	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Hac-H"	59.013851
"960977"	474.247351	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-H+NaCOOH"	66.980151
"113531"	442.236602	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+2Cl"	69.938804
"550541"	645.870202	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+2Cl"	69.938804
"1025172"	238.603002	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2Cl"	69.938804
"1248030"	486.186085	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Br"	78.918885
"1308293"	488.242072	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Cl+HCOOH"	80.974872
"1325789"	510.224029	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Cl+NaCOOH"	102.956829
"922315"	520.252786	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M-H+CF3COOH"	112.985586
"1299024"	556.229464	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Cl+CF3COOH"	148.962264
"1379372"	372.254524	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H-2H2O"	-35.012676
"1395414"	390.2645	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H-H2O"	-17.0027
"295465"	815.541676	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+H"	1.007276
"687522"	1222.808876	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+H"	1.007276
"1364231"	408.274476	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H"	1.007276
"137124"	408.274476	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+2H"	2.014552
"574136"	611.908076	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+2H"	2.014552
"1046580"	204.640876	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2H"	2.014552
"210107"	272.518742666667	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+3H"	3.021828
"652950"	408.274476	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+3H"	3.021828
"1167064"	136.763009333333	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+3H"	3.021828
"433253"	832.568223	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+NH4"	18.033823
"793154"	1239.835423	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+NH4"	18.033823
"1690576"	425.301023	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+NH4"	18.033823
"335575"	416.7877495	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+H+NH4"	19.041099
"733462"	620.4213495	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+H+NH4"	19.041099
"1482910"	213.1541495	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H+NH4"	19.041099
"399404"	837.523618	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+Na"	22.989218
"760399"	1244.790818	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+Na"	22.989218
"1610681"	430.256418	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Na"	22.989218
"320717"	419.265447	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+H+Na"	23.996494
"709862"	622.899047	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+H+Na"	23.996494
"1465872"	215.631847	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H+Na"	23.996494
"1053167"	144.090323333333	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2H+Na"	25.00377
"1260798"	440.300686	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+CH3OH+H"	33.033486
"383747"	853.497558	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+K"	38.963158
"742554"	1260.764758	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+K"	38.963158
"1543515"	446.230358	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+K"	38.963158
"302150"	427.252417	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+H+K"	39.970434
"699675"	630.886017	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+H+K"	39.970434
"1451307"	223.618817	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H+K"	39.970434
"244284"	856.568226	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+ACN+H"	42.033826
"1218087"	449.301026	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+ACN+H"	42.033826
"1200875"	225.154151	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+ACN+2H"	43.041102
"198121"	859.50556	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+2Na-H"	44.97116
"641707"	1266.77276	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+2Na-H"	44.97116
"1139017"	452.23836	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2Na-H"	44.97116
"183398"	430.256418	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+2Na"	45.978436
"619676"	633.890018	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+2Na"	45.978436
"1120628"	226.622818	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2Na"	45.978436
"1403426"	151.417637333333	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H+2Na"	46.985712
"1436636"	454.279946	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H+HCOOH"	47.012746
"227424"	435.28944	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+3H2O+2H"	56.04448
"1518037"	468.33199	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+IsoProp+H"	61.06479
"420276"	438.243388	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+Na+K"	61.952376
"778353"	641.876988	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+Na+K"	61.952376
"1672501"	234.609788	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Na+K"	61.952376
"261574"	878.550168	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+ACN+Na"	64.015768
"1231733"	471.282968	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+ACN+Na"	64.015768
"1719883"	471.306493	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+NH4+HCOOH"	64.039293
"1184871"	158.744951333333	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+3Na"	68.967654
"1654034"	476.261888	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Na+HCOOH"	68.994688
"162720"	891.45344	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+2K-H"	76.91904
"602283"	1298.72064	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+2K-H"	76.91904
"1091901"	484.18624	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2K-H"	76.91904
"142641"	446.230358	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"2M+2K"	77.926316
"582684"	649.863958	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"3M+2K"	77.926316
"1070115"	242.596758	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2K"	77.926316
"1100199"	486.200792	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2K+H"	78.933592
"1336913"	486.288407	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+DMSO+H"	79.021207
"1007150"	490.327576	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2ACN+H"	83.060376
"1525274"	491.321208	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+IsoProp+Na+H"	84.054008
"991601"	245.667426	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+2ACN+2H"	84.067652
"1588046"	492.235828	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+K+HCOOH"	84.968628
"1418205"	522.267338	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+H+CF3COOH"	115.000138
"1149588"	266.180701	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+3ACN+2H"	125.094202
"1706801"	539.293885	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+NH4+CF3COOH"	132.026685
"1647919"	544.24928	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+Na+CF3COOH"	136.98208
"1582476"	560.22322	"C08701"	"Norerythrostachaldine"	"C23H37NO5"	"407.2672"	"M+K+CF3COOH"	152.95602
"812842"	710.3415	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M"	0
"976532"	691.32311	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-H2O-H"	-19.01839
"66963"	472.553724	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M-3H"	-3.021828
"513082"	709.334224	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M-3H"	-3.021828
"887605"	235.773224	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-3H"	-3.021828
"8367"	709.334224	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M-2H"	-2.014552
"449026"	1064.504974	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M-2H"	-2.014552
"830843"	354.163474	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-2H"	-2.014552
"91196"	1419.675724	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M-H"	-1.007276
"531851"	2130.017224	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M-H"	-1.007276
"904187"	709.334224	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-H"	-1.007276
"54188"	1436.702271	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M-2H+NH4"	16.019271
"491560"	2147.043771	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M-2H+NH4"	16.019271
"866079"	726.360771	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-2H+NH4"	16.019271
"34096"	1441.657666	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M-2H+Na"	20.974666
"473172"	2151.999166	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M-2H+Na"	20.974666
"850123"	731.316166	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-2H+Na"	20.974666
"1619904"	731.316166	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Na-2H"	20.974666
"95948"	727.322563	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M-H+Cl"	33.962126
"540252"	1082.493313	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M-H+Cl"	33.962126
"938141"	372.151813	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-H+Cl"	33.962126
"273417"	1455.652402	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+Cl"	34.969402
"666937"	2165.993902	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+Cl"	34.969402
"1278247"	745.310902	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Cl"	34.969402
"21895"	1457.631606	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M-2H+K"	36.948606
"465829"	2167.973106	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M-2H+K"	36.948606
"842539"	747.290106	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-2H+K"	36.948606
"1563841"	747.290106	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+K-2H"	36.948606
"950630"	755.339694	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-H+HCOOH"	44.998194
"362650"	1465.681201	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+HCOOH-H"	44.998201
"346655"	1479.696851	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+Hac-H"	59.013851
"1493541"	769.355351	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Hac-H"	59.013851
"959990"	777.321651	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-H+NaCOOH"	66.980151
"112911"	745.310902	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+2Cl"	69.938804
"554296"	1100.481652	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+2Cl"	69.938804
"1024189"	390.140152	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2Cl"	69.938804
"1245953"	789.260385	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Br"	78.918885
"1307310"	791.316372	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Cl+HCOOH"	80.974872
"1326992"	813.298329	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Cl+NaCOOH"	102.956829
"918051"	823.327086	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M-H+CF3COOH"	112.985586
"1294758"	859.303764	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Cl+CF3COOH"	148.962264
"1379481"	675.328824	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H-2H2O"	-35.012676
"1394428"	693.3388	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H-H2O"	-17.0027
"295574"	1421.690276	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+H"	1.007276
"688359"	2132.031776	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+H"	1.007276
"1361059"	711.348776	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H"	1.007276
"139783"	711.348776	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+2H"	2.014552
"573517"	1066.519526	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+2H"	2.014552
"1048877"	356.178026	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2H"	2.014552
"208031"	474.568276	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+3H"	3.021828
"649778"	711.348776	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+3H"	3.021828
"1164985"	237.787776	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+3H"	3.021828
"433363"	1438.716823	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+NH4"	18.033823
"791077"	2149.058323	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+NH4"	18.033823
"1685949"	728.375323	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+NH4"	18.033823
"337873"	719.8620495	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+H+NH4"	19.041099
"730294"	1075.0327995	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+H+NH4"	19.041099
"1486299"	364.6912995	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H+NH4"	19.041099
"401699"	1443.672218	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+Na"	22.989218
"762694"	2154.013718	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+Na"	22.989218
"1606416"	733.330718	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Na"	22.989218
"319733"	722.339747	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+H+Na"	23.996494
"709972"	1077.510497	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+H+Na"	23.996494
"1468169"	367.168997	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H+Na"	23.996494
"1059231"	245.11509	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2H+Na"	25.00377
"1264188"	743.374986	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+CH3OH+H"	33.033486
"384951"	1459.646158	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+K"	38.963158
"743758"	2169.987658	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+K"	38.963158
"1544719"	749.304658	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+K"	38.963158
"302988"	730.326717	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+H+K"	39.970434
"699784"	1085.497467	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+H+K"	39.970434
"1452511"	375.155967	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H+K"	39.970434
"246582"	1462.716826	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+ACN+H"	42.033826
"1220384"	752.375326	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+ACN+H"	42.033826
"1202078"	376.691301	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+ACN+2H"	43.041102
"199325"	1465.65416	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+2Na-H"	44.97116
"639993"	2175.99566	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+2Na-H"	44.97116
"1140218"	755.31266	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2Na-H"	44.97116
"179133"	733.330718	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+2Na"	45.978436
"617962"	1088.501468	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+2Na"	45.978436
"1119644"	378.159968	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2Na"	45.978436
"1402436"	252.442404	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H+2Na"	46.985712
"1438568"	757.354246	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H+HCOOH"	47.012746
"228626"	738.36374	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+3H2O+2H"	56.04448
"1516686"	771.40629	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+IsoProp+H"	61.06479
"418561"	741.317688	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+Na+K"	61.952376
"779556"	1096.488438	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+Na+K"	61.952376
"1673339"	386.146938	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Na+K"	61.952376
"260955"	1484.698768	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+ACN+Na"	64.015768
"1234760"	774.357268	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+ACN+Na"	64.015768
"1717080"	774.380793	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+NH4+HCOOH"	64.039293
"1183888"	259.769718	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+3Na"	68.967654
"1652689"	779.336188	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Na+HCOOH"	68.994688
"161737"	1497.60204	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+2K-H"	76.91904
"602393"	2207.94354	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+2K-H"	76.91904
"1090188"	787.26054	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2K-H"	76.91904
"143723"	749.304658	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"2M+2K"	77.926316
"589843"	1104.475408	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"3M+2K"	77.926316
"1070347"	394.133908	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2K"	77.926316
"1100879"	789.275092	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2K+H"	78.933592
"1337875"	789.362707	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+DMSO+H"	79.021207
"1008111"	793.401876	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2ACN+H"	83.060376
"1525384"	794.395508	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+IsoProp+Na+H"	84.054008
"991590"	397.204576	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+2ACN+2H"	84.067652
"1587914"	795.310128	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+K+HCOOH"	84.968628
"1417222"	825.341638	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+H+CF3COOH"	115.000138
"1148605"	417.717851	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+3ACN+2H"	125.094202
"1708004"	842.368185	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+NH4+CF3COOH"	132.026685
"1648029"	847.32358	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+Na+CF3COOH"	136.98208
"1582586"	863.29752	"C08702"	"Nudicauline"	"C38H50N2O11"	"710.3415"	"M+K+CF3COOH"	152.95602
"811859"	385.2617	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M"	0
"975913"	366.24331	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-H2O-H"	-19.01839
"65980"	255.833857333333	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M-3H"	-3.021828
"513193"	384.254424	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M-3H"	-3.021828
"887715"	127.413290666667	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-3H"	-3.021828
"5198"	384.254424	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M-2H"	-2.014552
"449136"	576.885274	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M-2H"	-2.014552
"832660"	191.623574	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-2H"	-2.014552
"91305"	769.516124	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M-H"	-1.007276
"531961"	1154.777824	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M-H"	-1.007276
"905391"	384.254424	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-H"	-1.007276
"54298"	786.542671	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M-2H+NH4"	16.019271
"493858"	1171.804371	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M-2H+NH4"	16.019271
"865461"	401.280971	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-2H+NH4"	16.019271
"33599"	791.498066	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M-2H+Na"	20.974666
"473160"	1176.759766	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M-2H+Na"	20.974666
"850355"	406.236366	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-2H+Na"	20.974666
"1619283"	406.236366	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Na-2H"	20.974666
"95084"	402.242763	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M-H+Cl"	33.962126
"540362"	594.873613	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M-H+Cl"	33.962126
"938251"	209.611913	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-H+Cl"	33.962126
"273527"	805.492802	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+Cl"	34.969402
"665953"	1190.754502	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+Cl"	34.969402
"1279450"	420.231102	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Cl"	34.969402
"22005"	807.472006	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M-2H+K"	36.948606
"463752"	1192.733706	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M-2H+K"	36.948606
"842649"	422.210306	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-2H+K"	36.948606
"1567231"	422.210306	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+K-2H"	36.948606
"951833"	430.259894	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-H+HCOOH"	44.998194
"363854"	815.521601	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+HCOOH-H"	44.998201
"347008"	829.537251	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+Hac-H"	59.013851
"1493288"	444.275551	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Hac-H"	59.013851
"960830"	452.241851	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-H+NaCOOH"	66.980151
"113750"	420.231102	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+2Cl"	69.938804
"551854"	612.861952	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+2Cl"	69.938804
"1025392"	227.600252	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2Cl"	69.938804
"1246063"	464.180585	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Br"	78.918885
"1307784"	466.236572	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Cl+HCOOH"	80.974872
"1325279"	488.218529	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Cl+NaCOOH"	102.956829
"914516"	498.247286	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M-H+CF3COOH"	112.985586
"1292681"	534.223964	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Cl+CF3COOH"	148.962264
"1374124"	350.249024	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H-2H2O"	-35.012676
"1393444"	368.259	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H-H2O"	-17.0027
"289122"	771.530676	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+H"	1.007276
"685552"	1156.792376	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+H"	1.007276
"1354609"	386.268976	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H"	1.007276
"132966"	386.268976	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+2H"	2.014552
"570711"	578.899826	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+2H"	2.014552
"1046799"	193.638126	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2H"	2.014552
"210327"	257.848409333333	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+3H"	3.021828
"649887"	386.268976	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+3H"	3.021828
"1165096"	129.427842666667	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+3H"	3.021828
"430192"	788.557223	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+NH4"	18.033823
"789364"	1173.818923	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+NH4"	18.033823
"1683141"	403.295523	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+NH4"	18.033823
"335794"	394.7822495	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+H+NH4"	19.041099
"730403"	587.4130995	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+H+NH4"	19.041099
"1485317"	202.1513995	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H+NH4"	19.041099
"398529"	793.512618	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+Na"	22.989218
"759524"	1178.774318	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+Na"	22.989218
"1604341"	408.250918	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Na"	22.989218
"318751"	397.259947	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+H+Na"	23.996494
"711173"	589.890797	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+H+Na"	23.996494
"1467181"	204.629097	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H+Na"	23.996494
"1061526"	136.755156666667	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2H+Na"	25.00377
"1264298"	418.295186	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+CH3OH+H"	33.033486
"382874"	809.486558	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+K"	38.963158
"743869"	1194.748258	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+K"	38.963158
"1543735"	424.224858	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+K"	38.963158
"302005"	405.246917	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+H+K"	39.970434
"695520"	597.877767	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+H+K"	39.970434
"1452622"	212.616067	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H+K"	39.970434
"245599"	812.557226	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+ACN+H"	42.033826
"1217213"	427.295526	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+ACN+H"	42.033826
"1203283"	214.151401	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+ACN+2H"	43.041102
"197249"	815.49456	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+2Na-H"	44.97116
"641184"	1200.75626	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+2Na-H"	44.97116
"1137037"	430.23286	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2Na-H"	44.97116
"177054"	408.250918	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+2Na"	45.978436
"617343"	600.881768	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+2Na"	45.978436
"1118296"	215.620068	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2Na"	45.978436
"1400361"	144.082470666667	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H+2Na"	46.985712
"1439042"	432.274446	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H+HCOOH"	47.012746
"229831"	413.28394	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+3H2O+2H"	56.04448
"1515706"	446.32649	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+IsoProp+H"	61.06479
"416485"	416.237888	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+Na+K"	61.952376
"776387"	608.868738	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+Na+K"	61.952376
"1672721"	223.607038	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Na+K"	61.952376
"261429"	834.539168	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+ACN+Na"	64.015768
"1234141"	449.277468	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+ACN+Na"	64.015768
"1717555"	449.300993	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+NH4+HCOOH"	64.039293
"1181812"	151.409784666667	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+3Na"	68.967654
"1652800"	454.256388	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Na+HCOOH"	68.994688
"160754"	847.44244	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+2K-H"	76.91904
"603597"	1232.70414	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+2K-H"	76.91904
"1092484"	462.18074	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2K-H"	76.91904
"142010"	424.224858	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"2M+2K"	77.926316
"586673"	616.855708	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"3M+2K"	77.926316
"1069237"	231.594008	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2K"	77.926316
"1101234"	464.195292	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2K+H"	78.933592
"1335919"	464.282907	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+DMSO+H"	79.021207
"1006396"	468.322076	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2ACN+H"	83.060376
"1524562"	469.315708	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+IsoProp+Na+H"	84.054008
"990849"	234.664676	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+2ACN+2H"	84.067652
"1588755"	470.230328	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+K+HCOOH"	84.968628
"1417335"	500.261838	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+H+CF3COOH"	115.000138
"1147622"	255.177951	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+3ACN+2H"	125.094202
"1707021"	517.288385	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+NH4+CF3COOH"	132.026685
"1648139"	522.24378	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+Na+CF3COOH"	136.98208
"1573948"	538.21772	"C08703"	"Ovatine"	"C24H35NO3"	"385.2617"	"M+K+CF3COOH"	152.95602
"811969"	689.3411	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M"	0
"977846"	670.32271	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-H2O-H"	-19.01839
"69370"	458.553457333333	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M-3H"	-3.021828
"513303"	688.333824	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M-3H"	-3.021828
"888918"	228.773090666667	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-3H"	-3.021828
"6400"	688.333824	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M-2H"	-2.014552
"447059"	1033.004374	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M-2H"	-2.014552
"828147"	343.663274	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-2H"	-2.014552
"91415"	1377.674924	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M-H"	-1.007276
"530976"	2067.016024	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M-H"	-1.007276
"903314"	688.333824	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-H"	-1.007276
"53315"	1394.701471	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M-2H+NH4"	16.019271
"497250"	2084.042571	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M-2H+NH4"	16.019271
"868854"	705.360371	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-2H+NH4"	16.019271
"32008"	1399.656866	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M-2H+Na"	20.974666
"472059"	2088.997966	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M-2H+Na"	20.974666
"849734"	710.315766	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-2H+Na"	20.974666
"1618706"	710.315766	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Na-2H"	20.974666
"94501"	706.322163	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M-H+Cl"	33.962126
"540472"	1050.992713	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M-H+Cl"	33.962126
"937268"	361.651613	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-H+Cl"	33.962126
"273637"	1413.651602	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+Cl"	34.969402
"664969"	2102.992702	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+Cl"	34.969402
"1280653"	724.310502	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Cl"	34.969402
"25395"	1415.630806	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M-2H+K"	36.948606
"463861"	2104.971906	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M-2H+K"	36.948606
"837289"	726.289706	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-2H+K"	36.948606
"1566247"	726.289706	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+K-2H"	36.948606
"950850"	734.339294	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-H+HCOOH"	44.998194
"363601"	1423.680401	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+HCOOH-H"	44.998201
"347485"	1437.696051	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+Hac-H"	59.013851
"1493071"	748.354951	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Hac-H"	59.013851
"960942"	756.321251	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-H+NaCOOH"	66.980151
"113861"	724.310502	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+2Cl"	69.938804
"554516"	1068.981052	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+2Cl"	69.938804
"1025867"	379.639952	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2Cl"	69.938804
"1245080"	768.259985	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Br"	78.918885
"1308622"	770.315972	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Cl+HCOOH"	80.974872
"1325389"	792.297929	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Cl+NaCOOH"	102.956829
"914261"	802.326686	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M-H+CF3COOH"	112.985586
"1292791"	838.303364	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Cl+CF3COOH"	148.962264
"1373140"	654.328424	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H-2H2O"	-35.012676
"1392824"	672.3384	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H-H2O"	-17.0027
"290324"	1379.689476	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+H"	1.007276
"683839"	2069.030576	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+H"	1.007276
"1355812"	690.348376	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H"	1.007276
"133076"	690.348376	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+2H"	2.014552
"572643"	1035.018926	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+2H"	2.014552
"1048002"	345.677826	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2H"	2.014552
"212625"	460.568009333333	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+3H"	3.021828
"648904"	690.348376	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+3H"	3.021828
"1164477"	230.787642666667	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+3H"	3.021828
"429208"	1396.716023	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+NH4"	18.033823
"789109"	2086.057123	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+NH4"	18.033823
"1682887"	707.374923	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+NH4"	18.033823
"335905"	698.8616495	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+H+NH4"	19.041099
"729419"	1043.5321995	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+H+NH4"	19.041099
"1485427"	354.1910995	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H+NH4"	19.041099
"399733"	1401.671418	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+Na"	22.989218
"760727"	2091.012518	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+Na"	22.989218
"1607730"	712.330318	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Na"	22.989218
"319955"	701.339347	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+H+Na"	23.996494
"710190"	1046.009897	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+H+Na"	23.996494
"1468383"	356.668797	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H+Na"	23.996494
"1061636"	238.114956666667	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2H+Na"	25.00377
"1264407"	722.374586	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+CH3OH+H"	33.033486
"381890"	1417.645358	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+K"	38.963158
"745073"	2106.986458	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+K"	38.963158
"1544939"	728.304258	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+K"	38.963158
"302117"	709.326317	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+H+K"	39.970434
"695630"	1053.996867	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+H+K"	39.970434
"1453824"	364.655767	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H+K"	39.970434
"240240"	1420.716026	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+ACN+H"	42.033826
"1217324"	731.374926	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+ACN+H"	42.033826
"1199020"	366.191101	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+ACN+2H"	43.041102
"198453"	1423.65336	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+2Na-H"	44.97116
"639107"	2112.99446	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+2Na-H"	44.97116
"1136054"	734.31226	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2Na-H"	44.97116
"176072"	712.330318	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+2Na"	45.978436
"616725"	1057.000868	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+2Na"	45.978436
"1118284"	367.659768	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2Na"	45.978436
"1400835"	245.442270666667	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H+2Na"	46.985712
"1433684"	736.353846	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H+HCOOH"	47.012746
"226661"	717.36334	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+3H2O+2H"	56.04448
"1515816"	750.40589	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+IsoProp+H"	61.06479
"411129"	720.317288	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+Na+K"	61.952376
"779416"	1064.987838	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+Na+K"	61.952376
"1669186"	375.646738	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Na+K"	61.952376
"255701"	1442.697968	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+ACN+Na"	64.015768
"1229874"	753.356868	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+ACN+Na"	64.015768
"1714748"	753.380393	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+NH4+HCOOH"	64.039293
"1183378"	252.769584666667	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+3Na"	68.967654
"1652905"	758.335788	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Na+HCOOH"	68.994688
"158678"	1455.60124	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+2K-H"	76.91904
"601520"	2144.94234	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+2K-H"	76.91904
"1089679"	766.26014	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2K-H"	76.91904
"143214"	728.304258	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"2M+2K"	77.926316
"586783"	1072.974808	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"3M+2K"	77.926316
"1068531"	383.633708	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2K"	77.926316
"1100371"	768.274692	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2K+H"	78.933592
"1335712"	768.362307	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+DMSO+H"	79.021207
"1005898"	772.401476	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2ACN+H"	83.060376
"1526455"	773.395108	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+IsoProp+Na+H"	84.054008
"990959"	386.704376	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+2ACN+2H"	84.067652
"1589230"	774.309728	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+K+HCOOH"	84.968628
"1418538"	804.341238	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+H+CF3COOH"	115.000138
"1147488"	407.217651	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+3ACN+2H"	125.094202
"1707131"	821.367785	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+NH4+CF3COOH"	132.026685
"1641688"	826.32318	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+Na+CF3COOH"	136.98208
"1572234"	842.29712	"C08704"	"Pseudoaconitine"	"C36H51NO12"	"689.3411"	"M+K+CF3COOH"	152.95602
"812081"	493.2312	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M"	0
"980144"	474.21281	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-H2O-H"	-19.01839
"69480"	327.813524	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M-3H"	-3.021828
"512320"	492.223924	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M-3H"	-3.021828
"887935"	163.403124	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-3H"	-3.021828
"3228"	492.223924	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M-2H"	-2.014552
"447169"	738.839524	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M-2H"	-2.014552
"829350"	245.608324	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-2H"	-2.014552
"90432"	985.455124	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M-H"	-1.007276
"527807"	1478.686324	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M-H"	-1.007276
"902331"	492.223924	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-H"	-1.007276
"55612"	1002.481671	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M-2H+NH4"	16.019271
"495172"	1495.712871	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M-2H+NH4"	16.019271
"866776"	509.250471	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-2H+NH4"	16.019271
"31795"	1007.437066	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M-2H+Na"	20.974666
"472405"	1500.668266	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M-2H+Na"	20.974666
"849481"	514.205866	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-2H+Na"	20.974666
"1618694"	514.205866	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Na-2H"	20.974666
"95905"	510.212263	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M-H+Cl"	33.962126
"542770"	756.827863	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M-H+Cl"	33.962126
"933005"	263.596663	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-H+Cl"	33.962126
"272654"	1021.431802	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+Cl"	34.969402
"670547"	1514.663002	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+Cl"	34.969402
"1284045"	528.200602	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Cl"	34.969402
"26599"	1023.411006	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M-2H+K"	36.948606
"462878"	1516.642206	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M-2H+K"	36.948606
"840680"	530.179806	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-2H+K"	36.948606
"1567449"	530.179806	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+K-2H"	36.948606
"952053"	538.229394	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-H+HCOOH"	44.998194
"364804"	1031.460601	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+HCOOH-H"	44.998201
"349052"	1045.476251	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+Hac-H"	59.013851
"1494601"	552.245051	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Hac-H"	59.013851
"962876"	560.211351	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-H+NaCOOH"	66.980151
"112877"	528.200602	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+2Cl"	69.938804
"553532"	774.816202	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+2Cl"	69.938804
"1023425"	281.585002	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2Cl"	69.938804
"1241382"	572.150085	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Br"	78.918885
"1306911"	574.206072	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Cl+HCOOH"	80.974872
"1322220"	596.188029	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Cl+NaCOOH"	102.956829
"914371"	606.216786	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M-H+CF3COOH"	112.985586
"1293268"	642.193464	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Cl+CF3COOH"	148.962264
"1375441"	458.218524	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H-2H2O"	-35.012676
"1390748"	476.2285	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H-H2O"	-17.0027
"288248"	987.469676	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+H"	1.007276
"682856"	1480.700876	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+H"	1.007276
"1358110"	494.238476	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H"	1.007276
"133186"	494.238476	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+2H"	2.014552
"573847"	740.854076	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+2H"	2.014552
"1045928"	247.622876	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2H"	2.014552
"213829"	329.828076	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+3H"	3.021828
"651201"	494.238476	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+3H"	3.021828
"1167140"	165.417676	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+3H"	3.021828
"428226"	1004.496223	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+NH4"	18.033823
"791406"	1497.727423	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+NH4"	18.033823
"1683361"	511.265023	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+NH4"	18.033823
"334921"	502.7517495	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+H+NH4"	19.041099
"731717"	749.3673495	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+H+NH4"	19.041099
"1484445"	256.1361495	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H+NH4"	19.041099
"398752"	1009.451618	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+Na"	22.989218
"765213"	1502.682818	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+Na"	22.989218
"1610027"	516.220418	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Na"	22.989218
"323344"	505.229447	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+H+Na"	23.996494
"710300"	751.845047	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+H+Na"	23.996494
"1467399"	258.613847	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H+Na"	23.996494
"1058467"	172.74499	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2H+Na"	25.00377
"1263425"	526.264686	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+CH3OH+H"	33.033486
"379815"	1025.425558	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+K"	38.963158
"739351"	1518.656758	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+K"	38.963158
"1543956"	532.194358	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+K"	38.963158
"300040"	513.216417	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+H+K"	39.970434
"694648"	759.832017	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+H+K"	39.970434
"1450654"	266.600817	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H+K"	39.970434
"239256"	1028.496226	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+ACN+H"	42.033826
"1217433"	535.265026	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+ACN+H"	42.033826
"1201318"	268.136151	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+ACN+2H"	43.041102
"196377"	1031.43356	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+2Na-H"	44.97116
"635937"	1524.66476	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+2Na-H"	44.97116
"1133249"	538.20236	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2Na-H"	44.97116
"176545"	516.220418	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+2Na"	45.978436
"617199"	762.836018	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+2Na"	45.978436
"1117784"	269.604818	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2Na"	45.978436
"1400337"	180.072304	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H+2Na"	46.985712
"1433794"	540.243946	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H+HCOOH"	47.012746
"228958"	521.25344	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+3H2O+2H"	56.04448
"1512645"	554.29599	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+IsoProp+H"	61.06479
"416706"	524.207388	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+Na+K"	61.952376
"781348"	770.822988	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+Na+K"	61.952376
"1670755"	277.591788	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Na+K"	61.952376
"255083"	1050.478168	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+ACN+Na"	64.015768
"1229620"	557.246968	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+ACN+Na"	64.015768
"1715950"	557.270493	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+NH4+HCOOH"	64.039293
"1183129"	187.399618	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+3Na"	68.967654
"1655207"	562.225888	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Na+HCOOH"	68.994688
"162068"	1063.38144	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+2K-H"	76.91904
"603817"	1556.61264	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+2K-H"	76.91904
"1091609"	570.15024	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2K-H"	76.91904
"142959"	532.194358	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"2M+2K"	77.926316
"591267"	778.809958	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"3M+2K"	77.926316
"1075780"	285.578758	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2K"	77.926316
"1106804"	572.164792	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2K+H"	78.933592
"1336014"	572.252407	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+DMSO+H"	79.021207
"1006616"	576.291576	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2ACN+H"	83.060376
"1524294"	577.285208	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+IsoProp+Na+H"	84.054008
"991920"	288.649426	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+2ACN+2H"	84.067652
"1590069"	578.199828	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+K+HCOOH"	84.968628
"1417555"	608.231338	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+H+CF3COOH"	115.000138
"1147843"	309.162701	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+3ACN+2H"	125.094202
"1710521"	625.257885	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+NH4+CF3COOH"	132.026685
"1647995"	630.21328	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+Na+CF3COOH"	136.98208
"1574168"	646.18722	"C08705"	"Ryanodine;Ryania"	"C25H35NO9"	"493.2312"	"M+K+CF3COOH"	152.95602
"811097"	714.3728	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M"	0
"980254"	695.35441	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-H2O-H"	-19.01839
"66311"	475.241257333333	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M-3H"	-3.021828
"510244"	713.365524	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M-3H"	-3.021828
"881485"	237.116990666667	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-3H"	-3.021828
"2246"	713.365524	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M-2H"	-2.014552
"447279"	1070.551924	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M-2H"	-2.014552
"830923"	356.179124	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-2H"	-2.014552
"92246"	1427.738324	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M-H"	-1.007276
"530105"	2142.111124	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M-H"	-1.007276
"903537"	713.365524	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-H"	-1.007276
"56819"	1444.764871	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M-2H+NH4"	16.019271
"489088"	2159.137671	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M-2H+NH4"	16.019271
"866523"	730.392071	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-2H+NH4"	16.019271
"33697"	1449.720266	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M-2H+Na"	20.974666
"472887"	2164.093066	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M-2H+Na"	20.974666
"850690"	735.347466	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-2H+Na"	20.974666
"1618805"	735.347466	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Na-2H"	20.974666
"95657"	731.353863	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M-H+Cl"	33.962126
"542880"	1088.540263	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M-H+Cl"	33.962126
"933115"	374.167463	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-H+Cl"	33.962126
"272764"	1463.715002	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+Cl"	34.969402
"671751"	2178.087802	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+Cl"	34.969402
"1285249"	749.342202	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Cl"	34.969402
"26709"	1465.694206	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M-2H+K"	36.948606
"464082"	2180.067006	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M-2H+K"	36.948606
"841884"	751.321406	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-2H+K"	36.948606
"1566469"	751.321406	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+K-2H"	36.948606
"953258"	759.370994	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-H+HCOOH"	44.998194
"363455"	1473.743801	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+HCOOH-H"	44.998201
"349162"	1487.759451	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+Hac-H"	59.013851
"1493983"	773.386651	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Hac-H"	59.013851
"962256"	781.352951	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-H+NaCOOH"	66.980151
"115174"	749.342202	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+2Cl"	69.938804
"553641"	1106.528602	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+2Cl"	69.938804
"1025723"	392.155802	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2Cl"	69.938804
"1242505"	793.291685	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Br"	78.918885
"1306657"	795.347672	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Cl+HCOOH"	80.974872
"1325247"	817.329629	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Cl+NaCOOH"	102.956829
"915211"	827.358386	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M-H+CF3COOH"	112.985586
"1293014"	863.335064	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Cl+CF3COOH"	148.962264
"1376645"	679.360124	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H-2H2O"	-35.012676
"1385755"	697.3701	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H-H2O"	-17.0027
"287264"	1429.752876	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+H"	1.007276
"676768"	2144.125676	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+H"	1.007276
"1356033"	715.380076	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H"	1.007276
"130016"	715.380076	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+2H"	2.014552
"576143"	1072.566476	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+2H"	2.014552
"1047131"	358.193676	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2H"	2.014552
"214304"	477.255809333333	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+3H"	3.021828
"652407"	715.380076	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+3H"	3.021828
"1170528"	239.131542666667	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+3H"	3.021828
"429427"	1446.779423	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+NH4"	18.033823
"789329"	2161.152223	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+NH4"	18.033823
"1684932"	732.406623	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+NH4"	18.033823
"333208"	723.8933495	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+H+NH4"	19.041099
"734013"	1081.0797495	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+H+NH4"	19.041099
"1487833"	366.7069495	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H+NH4"	19.041099
"402141"	1451.734818	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+Na"	22.989218
"766418"	2166.107618	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+Na"	22.989218
"1613420"	737.362018	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Na"	22.989218
"324549"	726.371047	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+H+Na"	23.996494
"715877"	1083.557447	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+H+Na"	23.996494
"1469696"	369.184647	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H+Na"	23.996494
"1058577"	246.458856666667	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2H+Na"	25.00377
"1260619"	747.406286	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+CH3OH+H"	33.033486
"384299"	1467.708758	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+K"	38.963158
"747481"	2182.081558	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+K"	38.963158
"1546254"	753.335958	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+K"	38.963158
"302338"	734.358017	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+H+K"	39.970434
"694759"	1091.544417	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+H+K"	39.970434
"1451859"	377.171617	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H+K"	39.970434
"243742"	1470.779426	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+ACN+H"	42.033826
"1215358"	756.406626	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+ACN+H"	42.033826
"1200334"	378.706951	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+ACN+2H"	43.041102
"195394"	1473.71676	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+2Na-H"	44.97116
"633862"	2188.08956	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+2Na-H"	44.97116
"1133725"	759.34396	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2Na-H"	44.97116
"185041"	737.362018	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+2Na"	45.978436
"618040"	1094.548418	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+2Na"	45.978436
"1123732"	380.175618	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2Na"	45.978436
"1407257"	253.786170666667	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H+2Na"	46.985712
"1439373"	761.385546	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H+HCOOH"	47.012746
"232713"	742.39504	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+3H2O+2H"	56.04448
"1519316"	775.43759	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+IsoProp+H"	61.06479
"416816"	745.348988	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+Na+K"	61.952376
"782550"	1102.535388	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+Na+K"	61.952376
"1666327"	388.162588	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Na+K"	61.952376
"256287"	1492.761368	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+ACN+Na"	64.015768
"1230094"	778.388568	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+ACN+Na"	64.015768
"1716425"	778.412093	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+NH4+HCOOH"	64.039293
"1184331"	261.113484666667	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+3Na"	68.967654
"1654224"	783.367488	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Na+HCOOH"	68.994688
"165461"	1505.66464	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+2K-H"	76.91904
"600646"	2220.03744	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+2K-H"	76.91904
"1093908"	791.29184	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2K-H"	76.91904
"148538"	753.335958	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"2M+2K"	77.926316
"588097"	1110.522358	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"3M+2K"	77.926316
"1078080"	396.149558	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2K"	77.926316
"1110194"	793.306392	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2K+H"	78.933592
"1341110"	793.394007	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+DMSO+H"	79.021207
"1006117"	797.433176	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2ACN+H"	83.060376
"1531054"	798.426808	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+IsoProp+Na+H"	84.054008
"994223"	399.220226	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+2ACN+2H"	84.067652
"1590908"	799.341428	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+K+HCOOH"	84.968628
"1428238"	829.372938	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+H+CF3COOH"	115.000138
"1148319"	419.733501	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+3ACN+2H"	125.094202
"1710631"	846.399485	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+NH4+CF3COOH"	132.026685
"1648105"	851.35488	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+Na+CF3COOH"	136.98208
"1583026"	867.32882	"C08706"	"Septentrionine"	"C38H54N2O11"	"714.3728"	"M+K+CF3COOH"	152.95602
"813394"	357.2304	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M"	0
"977084"	338.21201	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-H2O-H"	-19.01839
"69701"	237.146324	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M-3H"	-3.021828
"510354"	356.223124	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M-3H"	-3.021828
"881596"	118.069524	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-3H"	-3.021828
"2356"	356.223124	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M-2H"	-2.014552
"447389"	534.838324	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M-2H"	-2.014552
"832125"	177.607924	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-2H"	-2.014552
"94099"	713.453524	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M-H"	-1.007276
"532038"	1070.683924	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M-H"	-1.007276
"903646"	356.223124	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-H"	-1.007276
"56929"	730.480071	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M-2H+NH4"	16.019271
"491020"	1087.710471	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M-2H+NH4"	16.019271
"867722"	373.249671	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-2H+NH4"	16.019271
"36720"	735.435466	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M-2H+Na"	20.974666
"474454"	1092.665866	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M-2H+Na"	20.974666
"850797"	378.205066	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-2H+Na"	20.974666
"1620331"	378.205066	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Na-2H"	20.974666
"95885"	374.211463	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M-H+Cl"	33.962126
"539710"	552.826663	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M-H+Cl"	33.962126
"934318"	195.596263	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-H+Cl"	33.962126
"270687"	749.430202	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+Cl"	34.969402
"674416"	1106.660602	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+Cl"	34.969402
"1286818"	392.199802	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Cl"	34.969402
"26819"	751.409406	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M-2H+K"	36.948606
"464192"	1108.639806	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M-2H+K"	36.948606
"841994"	394.179006	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-2H+K"	36.948606
"1569130"	394.179006	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+K-2H"	36.948606
"953367"	402.228594	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-H+HCOOH"	44.998194
"365387"	759.459001	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+HCOOH-H"	44.998201
"348543"	773.474651	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+Hac-H"	59.013851
"1495550"	416.244251	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Hac-H"	59.013851
"962001"	424.210551	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-H+NaCOOH"	66.980151
"115284"	392.199802	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+2Cl"	69.938804
"554115"	570.815002	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+2Cl"	69.938804
"1025832"	213.584602	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2Cl"	69.938804
"1247234"	436.149285	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Br"	78.918885
"1308589"	438.205272	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Cl+HCOOH"	80.974872
"1326451"	460.187229	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Cl+NaCOOH"	102.956829
"917507"	470.215986	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M-H+CF3COOH"	112.985586
"1292028"	506.192664	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Cl+CF3COOH"	148.962264
"1372378"	322.217724	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H-2H2O"	-35.012676
"1388781"	340.2277	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H-H2O"	-17.0027
"290653"	715.468076	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+H"	1.007276
"679063"	1072.698476	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+H"	1.007276
"1355050"	358.237676	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H"	1.007276
"131218"	358.237676	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+2H"	2.014552
"576618"	536.852876	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+2H"	2.014552
"1047607"	179.622476	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2H"	2.014552
"212956"	239.160876	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+3H"	3.021828
"655432"	358.237676	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+3H"	3.021828
"1171731"	120.084076	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+3H"	3.021828
"435733"	732.494623	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+NH4"	18.033823
"790532"	1089.725023	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+NH4"	18.033823
"1686864"	375.264223	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+NH4"	18.033823
"336237"	366.7509495	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+H+NH4"	19.041099
"735217"	545.3661495	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+H+NH4"	19.041099
"1485760"	188.1357495	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H+NH4"	19.041099
"403344"	737.450018	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+Na"	22.989218
"766164"	1094.680418	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+Na"	22.989218
"1615352"	380.219618	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Na"	22.989218
"322473"	369.228647	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+H+Na"	23.996494
"711615"	547.843847	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+H+Na"	23.996494
"1468714"	190.613447	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H+Na"	23.996494
"1058687"	127.41139	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2H+Na"	25.00377
"1259025"	390.263886	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+CH3OH+H"	33.033486
"378577"	753.423958	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+K"	38.963158
"742123"	1110.654358	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+K"	38.963158
"1540408"	396.193558	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+K"	38.963158
"299893"	377.215617	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+H+K"	39.970434
"692317"	555.830817	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+H+K"	39.970434
"1446864"	198.600417	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H+K"	39.970434
"237656"	756.494626	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+ACN+H"	42.033826
"1214738"	399.264226	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+ACN+H"	42.033826
"1198258"	200.135751	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+ACN+2H"	43.041102
"194410"	759.43196	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+2Na-H"	44.97116
"633972"	1116.66236	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+2Na-H"	44.97116
"1135658"	402.20156	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2Na-H"	44.97116
"185880"	380.219618	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+2Na"	45.978436
"617057"	558.834818	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+2Na"	45.978436
"1123842"	201.604418	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2Na"	45.978436
"1404087"	134.738704	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H+2Na"	46.985712
"1439483"	404.243146	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H+HCOOH"	47.012746
"232458"	385.25264	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+3H2O+2H"	56.04448
"1518333"	418.29519	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+IsoProp+H"	61.06479
"419113"	388.206588	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+Na+K"	61.952376
"784120"	566.821788	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+Na+K"	61.952376
"1667450"	209.591388	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Na+K"	61.952376
"256398"	778.476568	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+ACN+Na"	64.015768
"1231294"	421.246168	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+ACN+Na"	64.015768
"1715808"	421.269693	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+NH4+HCOOH"	64.039293
"1182257"	142.066018	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+3Na"	68.967654
"1652147"	426.225088	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Na+HCOOH"	68.994688
"161195"	791.37984	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+2K-H"	76.91904
"601849"	1148.61024	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+2K-H"	76.91904
"1091829"	434.14944	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2K-H"	76.91904
"147555"	396.193558	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"2M+2K"	77.926316
"586020"	574.808758	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"3M+2K"	77.926316
"1077094"	217.578358	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2K"	77.926316
"1103742"	436.163992	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2K+H"	78.933592
"1341220"	436.251607	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+DMSO+H"	79.021207
"1006470"	440.290776	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2ACN+H"	83.060376
"1530071"	441.284408	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+IsoProp+Na+H"	84.054008
"994332"	220.649026	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+2ACN+2H"	84.067652
"1591018"	442.199028	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+K+HCOOH"	84.968628
"1421057"	472.230538	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+H+CF3COOH"	115.000138
"1148429"	241.162301	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+3ACN+2H"	125.094202
"1709648"	489.257085	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+NH4+CF3COOH"	132.026685
"1648215"	494.21248	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+Na+CF3COOH"	136.98208
"1583136"	510.18642	"C08707"	"Songorine;Zongorine;Napellonine"	"C22H31NO3"	"357.2304"	"M+K+CF3COOH"	152.95602
"810222"	311.1885	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M"	0
"983754"	292.17011	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-H2O-H"	-19.01839
"73091"	206.451724	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M-3H"	-3.021828
"513744"	310.181224	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M-3H"	-3.021828
"884986"	102.722224	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-3H"	-3.021828
"9027"	310.181224	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M-2H"	-2.014552
"446406"	465.775474	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M-2H"	-2.014552
"818736"	154.586974	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-2H"	-2.014552
"93196"	621.369724	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M-H"	-1.007276
"529228"	932.558224	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M-H"	-1.007276
"901570"	310.181224	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-H"	-1.007276
"60198"	638.396271	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M-2H+NH4"	16.019271
"491131"	949.584771	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M-2H+NH4"	16.019271
"869294"	327.207771	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-2H+NH4"	16.019271
"35735"	643.351666	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M-2H+Na"	20.974666
"477848"	954.540166	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M-2H+Na"	20.974666
"852732"	332.163166	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-2H+Na"	20.974666
"1620807"	332.163166	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Na-2H"	20.974666
"96970"	328.169563	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M-H+Cl"	33.962126
"539820"	483.763813	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M-H+Cl"	33.962126
"933335"	172.575313	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-H+Cl"	33.962126
"271525"	657.346402	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+Cl"	34.969402
"674890"	968.534902	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+Cl"	34.969402
"1286563"	346.157902	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Cl"	34.969402
"26565"	659.325606	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M-2H+K"	36.948606
"464302"	970.514106	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M-2H+K"	36.948606
"840281"	348.137106	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-2H+K"	36.948606
"1567783"	348.137106	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+K-2H"	36.948606
"955664"	356.186694	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-H+HCOOH"	44.998194
"364402"	667.375201	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+HCOOH-H"	44.998201
"349746"	681.390851	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+Hac-H"	59.013851
"1496025"	370.202351	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Hac-H"	59.013851
"964299"	378.168651	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-H+NaCOOH"	66.980151
"117581"	346.157902	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+2Cl"	69.938804
"555321"	501.752152	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+2Cl"	69.938804
"1027037"	190.563652	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2Cl"	69.938804
"1249896"	390.107385	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Br"	78.918885
"1314531"	392.163372	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Cl+HCOOH"	80.974872
"1327655"	414.145329	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Cl+NaCOOH"	102.956829
"917981"	424.174086	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M-H+CF3COOH"	112.985586
"1295420"	460.150764	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Cl+CF3COOH"	148.962264
"1374676"	276.175824	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H-2H2O"	-35.012676
"1392171"	294.1858	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H-H2O"	-17.0027
"289670"	623.384276	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+H"	1.007276
"683184"	934.572776	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+H"	1.007276
"1357347"	312.195776	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H"	1.007276
"134608"	312.195776	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+2H"	2.014552
"576000"	467.790026	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+2H"	2.014552
"1049903"	156.601526	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2H"	2.014552
"214888"	208.466276	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+3H"	3.021828
"656998"	312.195776	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+3H"	3.021828
"1175121"	104.736776	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+3H"	3.021828
"435113"	640.410823	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+NH4"	18.033823
"793922"	951.599323	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+NH4"	18.033823
"1688067"	329.222323	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+NH4"	18.033823
"339625"	320.7090495	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+H+NH4"	19.041099
"735328"	476.3032995	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+H+NH4"	19.041099
"1490241"	165.1147995	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H+NH4"	19.041099
"403455"	645.366218	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+Na"	22.989218
"768462"	956.554718	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+Na"	22.989218
"1614736"	334.177718	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Na"	22.989218
"326956"	323.186747	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+H+Na"	23.996494
"717191"	478.780997	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+H+Na"	23.996494
"1473197"	167.592497	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H+Na"	23.996494
"1059890"	112.06409	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2H+Na"	25.00377
"1260472"	344.221986	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+CH3OH+H"	33.033486
"382332"	661.340158	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+K"	38.963158
"738867"	972.528658	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+K"	38.963158
"1551939"	350.151658	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+K"	38.963158
"301099"	331.173717	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+H+K"	39.970434
"692791"	486.767967	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+H+K"	39.970434
"1448068"	175.579467	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H+K"	39.970434
"238128"	664.410826	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+ACN+H"	42.033826
"1215941"	353.222326	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+ACN+H"	42.033826
"1198732"	177.114801	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+ACN+2H"	43.041102
"193427"	667.34816	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+2Na-H"	44.97116
"634082"	978.53666	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+2Na-H"	44.97116
"1136861"	356.15966	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2Na-H"	44.97116
"185262"	334.177718	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+2Na"	45.978436
"620447"	489.771968	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+2Na"	45.978436
"1123953"	178.583468	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2Na"	45.978436
"1410757"	119.391404	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H+2Na"	46.985712
"1441780"	358.201246	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H+HCOOH"	47.012746
"232568"	339.21074	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+3H2O+2H"	56.04448
"1521359"	372.25329	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+IsoProp+H"	61.06479
"421046"	342.164688	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+Na+K"	61.952376
"780220"	497.758938	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+Na+K"	61.952376
"1672177"	186.570438	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Na+K"	61.952376
"259788"	686.392768	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+ACN+Na"	64.015768
"1231405"	375.204268	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+ACN+Na"	64.015768
"1715919"	375.227793	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+NH4+HCOOH"	64.039293
"1184554"	126.718718	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+3Na"	68.967654
"1656632"	380.183188	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Na+HCOOH"	68.994688
"168961"	699.29604	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+2K-H"	76.91904
"607428"	1010.48454	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+2K-H"	76.91904
"1094131"	388.10754	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2K-H"	76.91904
"153133"	350.151658	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"2M+2K"	77.926316
"592693"	505.745908	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"3M+2K"	77.926316
"1079392"	194.557408	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2K"	77.926316
"1108226"	390.122092	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2K+H"	78.933592
"1344611"	390.209707	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+DMSO+H"	79.021207
"1007797"	394.248876	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2ACN+H"	83.060376
"1529088"	395.242508	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+IsoProp+Na+H"	84.054008
"997720"	197.628076	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+2ACN+2H"	84.067652
"1590035"	396.157128	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+K+HCOOH"	84.968628
"1420074"	426.188638	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+H+CF3COOH"	115.000138
"1149632"	218.141351	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+3ACN+2H"	125.094202
"1709758"	443.215185	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+NH4+CF3COOH"	132.026685
"1648325"	448.17058	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+Na+CF3COOH"	136.98208
"1583246"	464.14452	"C08708"	"Spiradine A;6-Hydroxyhetisan-11-one"	"C20H25NO2"	"311.1885"	"M+K+CF3COOH"	152.95602
"810332"	399.241	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M"	0
"983864"	380.22261	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-H2O-H"	-19.01839
"72109"	265.153390666667	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M-3H"	-3.021828
"510575"	398.233724	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M-3H"	-3.021828
"881816"	132.073057333333	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-3H"	-3.021828
"6950"	398.233724	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M-2H"	-2.014552
"444329"	597.854224	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M-2H"	-2.014552
"818482"	198.613224	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-2H"	-2.014552
"82121"	797.474724	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M-H"	-1.007276
"526058"	1196.715724	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M-H"	-1.007276
"901673"	398.233724	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-H"	-1.007276
"57143"	814.501271	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M-2H+NH4"	16.019271
"500960"	1213.742271	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M-2H+NH4"	16.019271
"866242"	415.260271	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-2H+NH4"	16.019271
"34388"	819.456666	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M-2H+Na"	20.974666
"474312"	1218.697666	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M-2H+Na"	20.974666
"853210"	420.215666	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-2H+Na"	20.974666
"1621286"	420.215666	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Na-2H"	20.974666
"96717"	416.222063	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M-H+Cl"	33.962126
"538107"	615.842563	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M-H+Cl"	33.962126
"933445"	216.601563	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-H+Cl"	33.962126
"271635"	833.451402	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+Cl"	34.969402
"663330"	1232.692402	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+Cl"	34.969402
"1283389"	434.210402	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Cl"	34.969402
"24853"	835.430606	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M-2H+K"	36.948606
"463318"	1234.671606	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M-2H+K"	36.948606
"833826"	436.189606	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-2H+K"	36.948606
"1564608"	436.189606	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+K-2H"	36.948606
"952128"	444.239194	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-H+HCOOH"	44.998194
"361713"	843.480201	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+HCOOH-H"	44.998201
"350950"	857.495851	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+Hac-H"	59.013851
"1494311"	458.254851	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Hac-H"	59.013851
"966598"	466.221151	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-H+NaCOOH"	66.980151
"117692"	434.210402	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+2Cl"	69.938804
"557253"	633.830902	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+2Cl"	69.938804
"1030427"	234.589902	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2Cl"	69.938804
"1251099"	478.159885	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Br"	78.918885
"1311725"	480.215872	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Cl+HCOOH"	80.974872
"1328857"	502.197829	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Cl+NaCOOH"	102.956829
"918091"	512.226586	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M-H+CF3COOH"	112.985586
"1294437"	548.203264	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Cl+CF3COOH"	148.962264
"1375879"	364.228324	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H-2H2O"	-35.012676
"1391188"	382.2383	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H-H2O"	-17.0027
"286864"	799.489276	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+H"	1.007276
"680014"	1198.730276	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+H"	1.007276
"1357457"	400.248276	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H"	1.007276
"132532"	400.248276	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+2H"	2.014552
"574288"	599.868776	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+2H"	2.014552
"1046367"	200.627776	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2H"	2.014552
"213176"	267.167942666667	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+3H"	3.021828
"652736"	400.248276	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+3H"	3.021828
"1173045"	134.087609333333	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+3H"	3.021828
"437412"	816.515823	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+NH4"	18.033823
"794033"	1215.756823	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+NH4"	18.033823
"1689272"	417.274823	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+NH4"	18.033823
"337549"	408.7615495	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+H+NH4"	19.041099
"732159"	608.3820495	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+H+NH4"	19.041099
"1485978"	209.1410495	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H+NH4"	19.041099
"401379"	821.471218	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+Na"	22.989218
"763470"	1220.712218	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+Na"	22.989218
"1607192"	422.230218	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Na"	22.989218
"319417"	411.239247	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+H+Na"	23.996494
"714026"	610.859747	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+H+Na"	23.996494
"1468940"	211.618747	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H+Na"	23.996494
"1064367"	141.414923333333	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2H+Na"	25.00377
"1266043"	432.274486	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+CH3OH+H"	33.033486
"383526"	837.445158	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+K"	38.963158
"746718"	1236.686158	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+K"	38.963158
"1541476"	438.204158	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+K"	38.963158
"299752"	419.226217	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+H+K"	39.970434
"692169"	618.846717	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+H+K"	39.970434
"1448544"	219.605717	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H+K"	39.970434
"238970"	840.515826	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+ACN+H"	42.033826
"1214958"	441.274826	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+ACN+H"	42.033826
"1198481"	221.141051	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+ACN+2H"	43.041102
"192078"	843.45316	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+2Na-H"	44.97116
"635286"	1242.69416	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+2Na-H"	44.97116
"1140984"	444.21216	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2Na-H"	44.97116
"185371"	422.230218	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+2Na"	45.978436
"624928"	621.850718	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+2Na"	45.978436
"1130257"	222.609718	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2Na"	45.978436
"1413054"	148.742237333333	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H+2Na"	46.985712
"1441890"	446.253746	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H+HCOOH"	47.012746
"231585"	427.26324	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+3H2O+2H"	56.04448
"1515273"	460.30579	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+IsoProp+H"	61.06479
"420427"	430.217188	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+Na+K"	61.952376
"781423"	629.837688	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+Na+K"	61.952376
"1668036"	230.596688	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Na+K"	61.952376
"258810"	862.497768	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+ACN+Na"	64.015768
"1231519"	463.256768	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+ACN+Na"	64.015768
"1716029"	463.280293	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+NH4+HCOOH"	64.039293
"1185756"	156.069551333333	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+3Na"	68.967654
"1658930"	468.235688	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Na+HCOOH"	68.994688
"164698"	875.40104	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+2K-H"	76.91904
"606446"	1274.64204	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+2K-H"	76.91904
"1099714"	476.16004	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2K-H"	76.91904
"156283"	438.204158	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"2M+2K"	77.926316
"593895"	637.824658	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"3M+2K"	77.926316
"1080595"	238.583658	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2K"	77.926316
"1111618"	478.174592	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2K+H"	78.933592
"1337916"	478.262207	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+DMSO+H"	79.021207
"1007539"	482.301376	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2ACN+H"	83.060376
"1531382"	483.295008	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+IsoProp+Na+H"	84.054008
"996738"	241.654326	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+2ACN+2H"	84.067652
"1594521"	484.209628	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+K+HCOOH"	84.968628
"1420184"	514.241138	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+H+CF3COOH"	115.000138
"1149377"	262.167601	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+3ACN+2H"	125.094202
"1710597"	531.267685	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+NH4+CF3COOH"	132.026685
"1648435"	536.22308	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+Na+CF3COOH"	136.98208
"1583356"	552.19702	"C08709"	"Spiramine A"	"C24H33NO4"	"399.241"	"M+K+CF3COOH"	152.95602
"810442"	355.2147	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M"	0
"983974"	336.19631	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-H2O-H"	-19.01839
"70032"	235.802524	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M-3H"	-3.021828
"510685"	354.207424	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M-3H"	-3.021828
"883019"	117.397624	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-3H"	-3.021828
"9247"	354.207424	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M-2H"	-2.014552
"445526"	531.814774	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M-2H"	-2.014552
"818228"	176.600074	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-2H"	-2.014552
"81502"	709.422124	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M-H"	-1.007276
"525075"	1064.636824	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M-H"	-1.007276
"901783"	354.207424	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-H"	-1.007276
"59439"	726.448671	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M-2H+NH4"	16.019271
"501558"	1081.663371	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M-2H+NH4"	16.019271
"866233"	371.233971	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-2H+NH4"	16.019271
"32678"	731.404066	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M-2H+Na"	20.974666
"474425"	1086.618766	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M-2H+Na"	20.974666
"850403"	376.189366	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-2H+Na"	20.974666
"1619204"	376.189366	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Na-2H"	20.974666
"94643"	372.195763	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M-H+Cl"	33.962126
"541133"	549.803113	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M-H+Cl"	33.962126
"934648"	194.588413	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-H+Cl"	33.962126
"269924"	745.398802	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+Cl"	34.969402
"666720"	1100.613502	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+Cl"	34.969402
"1286780"	390.184102	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Cl"	34.969402
"29336"	747.378006	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M-2H+K"	36.948606
"464521"	1102.592706	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M-2H+K"	36.948606
"833939"	392.163306	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-2H+K"	36.948606
"1562532"	392.163306	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+K-2H"	36.948606
"949322"	400.212894	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-H+HCOOH"	44.998194
"365353"	755.427601	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+HCOOH-H"	44.998201
"349967"	769.443251	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+Hac-H"	59.013851
"1492826"	414.228551	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Hac-H"	59.013851
"963790"	422.194851	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-H+NaCOOH"	66.980151
"118896"	390.184102	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+2Cl"	69.938804
"555542"	567.791452	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+2Cl"	69.938804
"1025798"	212.576752	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2Cl"	69.938804
"1249024"	434.133585	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Br"	78.918885
"1312564"	436.189572	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Cl+HCOOH"	80.974872
"1327874"	458.171529	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Cl+NaCOOH"	102.956829
"921118"	468.200286	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M-H+CF3COOH"	112.985586
"1296734"	504.176964	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Cl+CF3COOH"	148.962264
"1373802"	320.202024	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H-2H2O"	-35.012676
"1389111"	338.212	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H-H2O"	-17.0027
"286609"	711.436676	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+H"	1.007276
"679031"	1066.651376	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+H"	1.007276
"1363034"	356.221976	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H"	1.007276
"132642"	356.221976	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+2H"	2.014552
"576220"	533.829326	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+2H"	2.014552
"1047205"	178.614626	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2H"	2.014552
"215471"	237.817076	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+3H"	3.021828
"657583"	356.221976	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+3H"	3.021828
"1174248"	119.412176	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+3H"	3.021828
"438979"	728.463223	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+NH4"	18.033823
"790863"	1083.677923	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+NH4"	18.033823
"1688288"	373.248523	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+NH4"	18.033823
"336567"	364.7352495	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+H+NH4"	19.041099
"731172"	542.3425995	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+H+NH4"	19.041099
"1483904"	187.1278995	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H+NH4"	19.041099
"404770"	733.418618	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+Na"	22.989218
"767590"	1088.633318	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+Na"	22.989218
"1608396"	378.203918	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Na"	22.989218
"324996"	367.212947	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+H+Na"	23.996494
"717417"	544.820297	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+H+Na"	23.996494
"1470144"	189.605597	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H+Na"	23.996494
"1065206"	126.73949	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2H+Na"	25.00377
"1266154"	388.248186	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+CH3OH+H"	33.033486
"385824"	749.392558	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+K"	38.963158
"750108"	1104.607258	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+K"	38.963158
"1544506"	394.177858	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+K"	38.963158
"302779"	375.199917	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+H+K"	39.970434
"694471"	552.807267	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+H+K"	39.970434
"1449382"	197.592567	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H+K"	39.970434
"240904"	752.463226	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+ACN+H"	42.033826
"1213975"	397.248526	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+ACN+H"	42.033826
"1200777"	199.127901	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+ACN+2H"	43.041102
"193647"	755.40056	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+2Na-H"	44.97116
"635396"	1110.61526	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+2Na-H"	44.97116
"1142553"	400.18586	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2Na-H"	44.97116
"186575"	378.203918	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+2Na"	45.978436
"625404"	555.811268	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+2Na"	45.978436
"1130003"	200.596568	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2Na"	45.978436
"1412437"	134.066804	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H+2Na"	46.985712
"1436167"	402.227446	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H+HCOOH"	47.012746
"233519"	383.23694	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+3H2O+2H"	56.04448
"1515383"	416.27949	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+IsoProp+H"	61.06479
"417986"	386.190888	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+Na+K"	61.952376
"779347"	563.798238	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+Na+K"	61.952376
"1675683"	208.583538	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Na+K"	61.952376
"260014"	774.445168	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+ACN+Na"	64.015768
"1233817"	419.230468	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+ACN+Na"	64.015768
"1717233"	419.253993	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+NH4+HCOOH"	64.039293
"1185867"	141.394118	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+3Na"	68.967654
"1659041"	424.209388	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Na+HCOOH"	68.994688
"164808"	787.34844	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+2K-H"	76.91904
"607649"	1142.56314	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+2K-H"	76.91904
"1099890"	432.13374	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2K-H"	76.91904
"154448"	394.177858	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"2M+2K"	77.926316
"591821"	571.785208	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"3M+2K"	77.926316
"1078518"	216.570508	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2K"	77.926316
"1111728"	434.148292	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2K+H"	78.933592
"1340459"	434.235907	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+DMSO+H"	79.021207
"1007163"	438.275076	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2ACN+H"	83.060376
"1531494"	439.268708	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+IsoProp+Na+H"	84.054008
"997939"	219.641176	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+2ACN+2H"	84.067652
"1594631"	440.183328	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+K+HCOOH"	84.968628
"1421387"	470.214838	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+H+CF3COOH"	115.000138
"1149852"	240.154451	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+3ACN+2H"	125.094202
"1707792"	487.241385	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+NH4+CF3COOH"	132.026685
"1639068"	492.19678	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+Na+CF3COOH"	136.98208
"1583466"	508.17072	"C08710"	"Spirasine I"	"C22H29NO3"	"355.2147"	"M+K+CF3COOH"	152.95602
"810552"	353.1991	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M"	0
"984084"	334.18071	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-H2O-H"	-19.01839
"72329"	234.458790666667	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M-3H"	-3.021828
"510795"	352.191824	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M-3H"	-3.021828
"886408"	116.725757333333	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-3H"	-3.021828
"4982"	352.191824	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M-2H"	-2.014552
"442355"	528.791374	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M-2H"	-2.014552
"819061"	175.592274	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-2H"	-2.014552
"81976"	705.390924	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M-H"	-1.007276
"525185"	1058.590024	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M-H"	-1.007276
"902987"	352.191824	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-H"	-1.007276
"60401"	722.417471	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M-2H+NH4"	16.019271
"498021"	1075.616571	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M-2H+NH4"	16.019271
"878376"	369.218371	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-2H+NH4"	16.019271
"34971"	727.372866	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M-2H+Na"	20.974666
"474535"	1080.571966	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M-2H+Na"	20.974666
"850511"	374.173766	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-2H+Na"	20.974666
"1618991"	374.173766	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Na-2H"	20.974666
"94628"	370.180163	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M-H+Cl"	33.962126
"540150"	546.779713	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M-H+Cl"	33.962126
"933665"	193.580613	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-H+Cl"	33.962126
"270034"	741.367602	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+Cl"	34.969402
"666830"	1094.566702	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+Cl"	34.969402
"1285798"	388.168502	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Cl"	34.969402
"25074"	743.346806	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M-2H+K"	36.948606
"461351"	1096.545906	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M-2H+K"	36.948606
"833359"	390.147706	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-2H+K"	36.948606
"1560456"	390.147706	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+K-2H"	36.948606
"946879"	398.197294	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-H+HCOOH"	44.998194
"364368"	751.396401	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+HCOOH-H"	44.998201
"350806"	765.412051	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+Hac-H"	59.013851
"1494532"	412.212951	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Hac-H"	59.013851
"963536"	420.179251	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-H+NaCOOH"	66.980151
"119006"	388.168502	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+2Cl"	69.938804
"557110"	564.768052	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+2Cl"	69.938804
"1029554"	211.568952	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2Cl"	69.938804
"1248405"	432.117985	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Br"	78.918885
"1312674"	434.173972	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Cl+HCOOH"	80.974872
"1325797"	456.155929	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Cl+NaCOOH"	102.956829
"918311"	466.184686	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M-H+CF3COOH"	112.985586
"1294655"	502.161364	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Cl+CF3COOH"	148.962264
"1369172"	318.186424	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H-2H2O"	-35.012676
"1385575"	336.1964	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H-H2O"	-17.0027
"286355"	707.405476	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+H"	1.007276
"679141"	1060.604576	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+H"	1.007276
"1359865"	354.206376	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H"	1.007276
"131659"	354.206376	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+2H"	2.014552
"577059"	530.805926	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+2H"	2.014552
"1050231"	177.606826	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2H"	2.014552
"217404"	236.473342666667	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+3H"	3.021828
"658422"	354.206376	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+3H"	3.021828
"1172172"	118.740309333333	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+3H"	3.021828
"437631"	724.432023	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+NH4"	18.033823
"795347"	1077.631123	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+NH4"	18.033823
"1691678"	371.232923	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+NH4"	18.033823
"338864"	362.7196495	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+H+NH4"	19.041099
"734565"	539.3191995	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+H+NH4"	19.041099
"1488387"	186.1200995	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H+NH4"	19.041099
"404880"	729.387418	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+Na"	22.989218
"766971"	1082.586518	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+Na"	22.989218
"1612881"	376.188318	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Na"	22.989218
"325472"	365.197347	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+H+Na"	23.996494
"719349"	541.796897	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+H+Na"	23.996494
"1470619"	188.597797	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H+Na"	23.996494
"1064589"	126.067623333333	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2H+Na"	25.00377
"1267357"	386.232586	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+CH3OH+H"	33.033486
"385934"	745.361358	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+K"	38.963158
"752044"	1098.560458	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+K"	38.963158
"1546803"	392.162258	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+K"	38.963158
"303982"	373.184317	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+H+K"	39.970434
"695308"	549.783867	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+H+K"	39.970434
"1448764"	196.584767	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H+K"	39.970434
"240647"	748.432026	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+ACN+H"	42.033826
"1214449"	395.232926	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+ACN+H"	42.033826
"1199794"	198.120101	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+ACN+2H"	43.041102
"197037"	751.36936	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+2Na-H"	44.97116
"635506"	1104.56846	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+2Na-H"	44.97116
"1143027"	398.17026	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2Na-H"	44.97116
"184865"	376.188318	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+2Na"	45.978436
"625150"	552.787868	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+2Na"	45.978436
"1128656"	199.588768	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2Na"	45.978436
"1410360"	133.394937333333	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H+2Na"	46.985712
"1440651"	400.211846	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H+HCOOH"	47.012746
"231806"	381.22134	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+3H2O+2H"	56.04448
"1517680"	414.26389	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+IsoProp+H"	61.06479
"420284"	384.175288	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+Na+K"	61.952376
"781641"	560.774838	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+Na+K"	61.952376
"1675793"	207.575738	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Na+K"	61.952376
"259031"	770.413968	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+ACN+Na"	64.015768
"1233927"	417.214868	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+ACN+Na"	64.015768
"1716614"	417.238393	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+NH4+HCOOH"	64.039293
"1184884"	140.722251333333	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+3Na"	68.967654
"1657329"	422.193788	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Na+HCOOH"	68.994688
"166011"	783.31724	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+2K-H"	76.91904
"605572"	1136.51634	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+2K-H"	76.91904
"1095554"	430.11814	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2K-H"	76.91904
"155288"	392.162258	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"2M+2K"	77.926316
"591931"	568.761808	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"3M+2K"	77.926316
"1079722"	215.562708	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2K"	77.926316
"1109651"	432.132692	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2K+H"	78.933592
"1341662"	432.220307	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+DMSO+H"	79.021207
"1008368"	436.259476	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2ACN+H"	83.060376
"1530508"	437.253108	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+IsoProp+Na+H"	84.054008
"998049"	218.633376	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+2ACN+2H"	84.067652
"1593648"	438.167728	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+K+HCOOH"	84.968628
"1417123"	468.199238	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+H+CF3COOH"	115.000138
"1148503"	239.146651	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+3ACN+2H"	125.094202
"1707902"	485.225785	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+NH4+CF3COOH"	132.026685
"1639178"	490.18118	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+Na+CF3COOH"	136.98208
"1583576"	506.15512	"C08711"	"Spiredine"	"C22H27NO3"	"353.1991"	"M+K+CF3COOH"	152.95602
"816131"	606.4549	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M"	0
"987474"	587.43651	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-H2O-H"	-19.01839
"74627"	403.295990666667	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M-3H"	-3.021828
"517465"	605.447624	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M-3H"	-3.021828
"888707"	201.144357333333	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-3H"	-3.021828
"12748"	605.447624	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M-2H"	-2.014552
"452308"	908.675074	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M-2H"	-2.014552
"822456"	302.220174	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-2H"	-2.014552
"84633"	1211.902524	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M-H"	-1.007276
"521641"	1818.357424	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M-H"	-1.007276
"903097"	605.447624	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-H"	-1.007276
"61362"	1228.929071	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M-2H+NH4"	16.019271
"501531"	1835.383971	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M-2H+NH4"	16.019271
"877633"	622.474171	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-2H+NH4"	16.019271
"37273"	1233.884466	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M-2H+Na"	20.974666
"474647"	1840.339366	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M-2H+Na"	20.974666
"859007"	627.429566	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-2H+Na"	20.974666
"1629636"	627.429566	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Na-2H"	20.974666
"102883"	623.435963	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M-H+Cl"	33.962126
"540260"	926.663413	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M-H+Cl"	33.962126
"933775"	320.208513	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-H+Cl"	33.962126
"272331"	1247.879202	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+Cl"	34.969402
"664755"	1854.334102	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+Cl"	34.969402
"1283720"	641.424302	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Cl"	34.969402
"25185"	1249.858406	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M-2H+K"	36.948606
"465835"	1856.313306	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M-2H+K"	36.948606
"838170"	643.403506	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-2H+K"	36.948606
"1564940"	643.403506	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+K-2H"	36.948606
"950636"	651.453094	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-H+HCOOH"	44.998194
"365573"	1257.908001	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+HCOOH-H"	44.998201
"350553"	1271.923651	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+Hac-H"	59.013851
"1499019"	665.468751	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Hac-H"	59.013851
"964012"	673.435051	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-H+NaCOOH"	66.980151
"115106"	641.424302	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+2Cl"	69.938804
"554303"	944.651752	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+2Cl"	69.938804
"1027477"	338.196852	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2Cl"	69.938804
"1248149"	685.373785	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Br"	78.918885
"1316431"	687.429772	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Cl+HCOOH"	80.974872
"1328094"	709.411729	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Cl+NaCOOH"	102.956829
"921338"	719.440486	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M-H+CF3COOH"	112.985586
"1294766"	755.417164	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Cl+CF3COOH"	148.962264
"1378394"	571.442224	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H-2H2O"	-35.012676
"1394072"	589.4522	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H-H2O"	-17.0027
"293392"	1213.917076	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+H"	1.007276
"685816"	1820.371976	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+H"	1.007276
"1361801"	607.462176	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H"	1.007276
"133959"	607.462176	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+2H"	2.014552
"568414"	910.689626	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+2H"	2.014552
"1044508"	304.234726	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2H"	2.014552
"214596"	405.310542666667	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+3H"	3.021828
"658530"	607.462176	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+3H"	3.021828
"1172282"	203.158909333333	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+3H"	3.021828
"435558"	1230.943623	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+NH4"	18.033823
"794365"	1837.398523	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+NH4"	18.033823
"1689604"	624.488723	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+NH4"	18.033823
"338976"	615.9754495	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+H+NH4"	19.041099
"736864"	919.2028995	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+H+NH4"	19.041099
"1488498"	312.7479995	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H+NH4"	19.041099
"407911"	1235.899018	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+Na"	22.989218
"765983"	1842.353918	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+Na"	22.989218
"1610803"	629.444118	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Na"	22.989218
"326309"	618.453147	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+H+Na"	23.996494
"719097"	921.680597	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+H+Na"	23.996494
"1476196"	315.225697	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H+Na"	23.996494
"1068225"	210.486223333333	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2H+Na"	25.00377
"1269655"	639.488386	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+CH3OH+H"	33.033486
"386044"	1251.872958	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+K"	38.963158
"752153"	1858.327858	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+K"	38.963158
"1549100"	645.418058	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+K"	38.963158
"304092"	626.440117	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+H+K"	39.970434
"695783"	929.667567	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+H+K"	39.970434
"1452517"	323.212667	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H+K"	39.970434
"241485"	1254.943626	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+ACN+H"	42.033826
"1214923"	648.488726	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+ACN+H"	42.033826
"1199170"	324.748001	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+ACN+2H"	43.041102
"193866"	1257.88096	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+2Na-H"	44.97116
"634156"	1864.33586	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+2Na-H"	44.97116
"1136938"	651.42606	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2Na-H"	44.97116
"183147"	629.444118	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+2Na"	45.978436
"626352"	932.671568	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+2Na"	45.978436
"1128036"	326.216668	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2Na"	45.978436
"1409738"	217.813537333333	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H+2Na"	46.985712
"1440762"	653.467646	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H+HCOOH"	47.012746
"229729"	634.47714	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+3H2O+2H"	56.04448
"1515603"	667.51969	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+IsoProp+H"	61.06479
"418207"	637.431088	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+Na+K"	61.952376
"778109"	940.658538	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+Na+K"	61.952376
"1671530"	334.203638	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Na+K"	61.952376
"256956"	1276.925568	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+ACN+Na"	64.015768
"1230757"	670.470668	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+ACN+Na"	64.015768
"1715265"	670.494193	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+NH4+HCOOH"	64.039293
"1182078"	225.140851333333	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+3Na"	68.967654
"1657074"	675.449588	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Na+HCOOH"	68.994688
"166124"	1289.82884	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+2K-H"	76.91904
"604592"	1896.28374	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+2K-H"	76.91904
"1093476"	683.37394	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2K-H"	76.91904
"150292"	645.418058	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"2M+2K"	77.926316
"592039"	948.645508	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"3M+2K"	77.926316
"1077645"	342.190608	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2K"	77.926316
"1107573"	685.388492	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2K+H"	78.933592
"1339585"	685.476107	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+DMSO+H"	79.021207
"1008117"	689.515276	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2ACN+H"	83.060376
"1532807"	690.508908	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+IsoProp+Na+H"	84.054008
"995973"	345.261276	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+2ACN+2H"	84.067652
"1592665"	691.423528	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+K+HCOOH"	84.968628
"1418326"	721.455038	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+H+CF3COOH"	115.000138
"1148977"	365.774551	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+3ACN+2H"	125.094202
"1708012"	738.481585	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+NH4+CF3COOH"	132.026685
"1639288"	743.43698	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+Na+CF3COOH"	136.98208
"1583686"	759.41092	"C08712"	"Staphidine"	"C42H58N2O"	"606.4549"	"M+K+CF3COOH"	152.95602
"810772"	421.2828	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M"	0
"988679"	402.26441	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-H2O-H"	-19.01839
"76923"	279.847924	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M-3H"	-3.021828
"514295"	420.275524	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M-3H"	-3.021828
"892098"	139.420324	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-3H"	-3.021828
"12858"	420.275524	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M-2H"	-2.014552
"446951"	630.916924	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M-2H"	-2.014552
"822567"	209.634124	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-2H"	-2.014552
"81828"	841.558324	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M-H"	-1.007276
"520292"	1262.841124	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M-H"	-1.007276
"899925"	420.275524	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-H"	-1.007276
"61714"	858.584871	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M-2H+NH4"	16.019271
"502005"	1279.867671	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M-2H+NH4"	16.019271
"879841"	437.302071	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-2H+NH4"	16.019271
"37385"	863.540266	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M-2H+Na"	20.974666
"481318"	1284.823066	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M-2H+Na"	20.974666
"859118"	442.257466	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-2H+Na"	20.974666
"1631934"	442.257466	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Na-2H"	20.974666
"105182"	438.263863	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M-H+Cl"	33.962126
"546567"	648.905263	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M-H+Cl"	33.962126
"933885"	227.622463	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-H+Cl"	33.962126
"271348"	877.535002	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+Cl"	34.969402
"667051"	1298.817802	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+Cl"	34.969402
"1284923"	456.252202	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Cl"	34.969402
"27481"	879.514206	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M-2H+K"	36.948606
"468134"	1300.797006	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M-2H+K"	36.948606
"839375"	458.231406	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-2H+K"	36.948606
"1563957"	458.231406	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+K-2H"	36.948606
"954028"	466.280994	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-H+HCOOH"	44.998194
"366776"	887.563801	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+HCOOH-H"	44.998201
"352120"	901.579451	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+Hac-H"	59.013851
"1499858"	480.296651	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Hac-H"	59.013851
"967037"	488.262951	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-H+NaCOOH"	66.980151
"113392"	456.252202	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+2Cl"	69.938804
"556235"	666.893602	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+2Cl"	69.938804
"1027222"	245.610802	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2Cl"	69.938804
"1247896"	500.201685	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Br"	78.918885
"1312896"	502.257672	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Cl+HCOOH"	80.974872
"1322736"	524.239629	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Cl+NaCOOH"	102.956829
"919264"	534.268386	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M-H+CF3COOH"	112.985586
"1293055"	570.245064	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Cl+CF3COOH"	148.962264
"1376318"	386.270124	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H-2H2O"	-35.012676
"1388348"	404.2801	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H-H2O"	-17.0027
"292408"	843.572876	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+H"	1.007276
"684466"	1264.855676	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+H"	1.007276
"1360088"	422.290076	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H"	1.007276
"130790"	422.290076	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+2H"	2.014552
"567795"	632.931476	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+2H"	2.014552
"1040971"	211.648676	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2H"	2.014552
"214706"	281.862476	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+3H"	3.021828
"654268"	422.290076	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+3H"	3.021828
"1174217"	141.434876	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+3H"	3.021828
"435667"	860.599423	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+NH4"	18.033823
"795569"	1281.882223	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+NH4"	18.033823
"1687529"	439.316623	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+NH4"	18.033823
"340178"	430.8033495	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+H+NH4"	19.041099
"731508"	641.4447495	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+H+NH4"	19.041099
"1487513"	220.1619495	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H+NH4"	19.041099
"402914"	865.554818	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+Na"	22.989218
"766826"	1286.837618	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+Na"	22.989218
"1608726"	444.272018	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Na"	22.989218
"324232"	433.281047	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+H+Na"	23.996494
"718838"	643.922447	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+H+Na"	23.996494
"1474845"	222.639647	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H+Na"	23.996494
"1066995"	148.76219	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2H+Na"	25.00377
"1270129"	454.316286	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+CH3OH+H"	33.033486
"383967"	881.528758	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+K"	38.963158
"749347"	1302.811558	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+K"	38.963158
"1550305"	460.245958	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+K"	38.963158
"301281"	441.268017	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+H+K"	39.970434
"694069"	651.909417	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+H+K"	39.970434
"1449711"	230.626617	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H+K"	39.970434
"239407"	884.599426	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+ACN+H"	42.033826
"1213940"	463.316626	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+ACN+H"	42.033826
"1198555"	232.161951	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+ACN+2H"	43.041102
"193612"	887.53676	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+2Na-H"	44.97116
"634266"	1308.81956	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+2Na-H"	44.97116
"1138141"	466.25396	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2Na-H"	44.97116
"183621"	444.272018	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+2Na"	45.978436
"626098"	654.913418	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+2Na"	45.978436
"1126687"	233.630618	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2Na"	45.978436
"1409847"	156.089504	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H+2Na"	46.985712
"1441963"	468.295546	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H+HCOOH"	47.012746
"229841"	449.30504	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+3H2O+2H"	56.04448
"1515715"	482.34759	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+IsoProp+H"	61.06479
"418317"	452.258988	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+Na+K"	61.952376
"779312"	662.900388	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+Na+K"	61.952376
"1672735"	241.617588	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Na+K"	61.952376
"254151"	906.581368	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+ACN+Na"	64.015768
"1228680"	485.298568	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+ACN+Na"	64.015768
"1713676"	485.322093	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+NH4+HCOOH"	64.039293
"1180367"	163.416818	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+3Na"	68.967654
"1651352"	490.277488	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Na+HCOOH"	68.994688
"161858"	919.48464	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+2K-H"	76.91904
"606886"	1340.76744	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+2K-H"	76.91904
"1087024"	498.20184	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2K-H"	76.91904
"142258"	460.245958	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"2M+2K"	77.926316
"585588"	670.887358	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"3M+2K"	77.926316
"1078849"	249.604558	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2K"	77.926316
"1107683"	500.216392	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2K+H"	78.933592
"1337873"	500.304007	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+DMSO+H"	79.021207
"1009317"	504.343176	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2ACN+H"	83.060376
"1527447"	505.336808	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+IsoProp+Na+H"	84.054008
"996084"	252.675226	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+2ACN+2H"	84.067652
"1592774"	506.251428	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+K+HCOOH"	84.968628
"1419530"	536.282938	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+H+CF3COOH"	115.000138
"1148722"	273.188501	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+3ACN+2H"	125.094202
"1710310"	553.309485	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+NH4+CF3COOH"	132.026685
"1645959"	558.26488	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+Na+CF3COOH"	136.98208
"1583796"	574.23882	"C08713"	"Talatizamine"	"C24H39NO5"	"421.2828"	"M+K+CF3COOH"	152.95602
"810882"	369.194	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M"	0
"977853"	350.17561	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-H2O-H"	-19.01839
"74847"	245.122057333333	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M-3H"	-3.021828
"510030"	368.186724	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M-3H"	-3.021828
"888928"	122.057390666667	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-3H"	-3.021828
"12968"	368.186724	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M-2H"	-2.014552
"447061"	552.783724	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M-2H"	-2.014552
"819397"	183.589724	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-2H"	-2.014552
"81575"	737.380724	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M-H"	-1.007276
"520159"	1106.574724	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M-H"	-1.007276
"900035"	368.186724	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-H"	-1.007276
"58786"	754.407271	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M-2H+NH4"	16.019271
"501385"	1123.601271	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M-2H+NH4"	16.019271
"879798"	385.213271	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-2H+NH4"	16.019271
"46930"	759.362666	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M-2H+Na"	20.974666
"487072"	1128.556666	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M-2H+Na"	20.974666
"859228"	390.168666	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-2H+Na"	20.974666
"1633137"	390.168666	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Na-2H"	20.974666
"105292"	386.175063	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M-H+Cl"	33.962126
"547041"	570.772063	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M-H+Cl"	33.962126
"939099"	201.578063	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-H+Cl"	33.962126
"271458"	773.357402	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+Cl"	34.969402
"668255"	1142.551402	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+Cl"	34.969402
"1283940"	404.163402	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Cl"	34.969402
"26497"	775.336606	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M-2H+K"	36.948606
"467879"	1144.530606	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M-2H+K"	36.948606
"840577"	406.142606	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-2H+K"	36.948606
"1564067"	406.142606	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+K-2H"	36.948606
"955231"	414.192194	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-H+HCOOH"	44.998194
"369073"	783.386201	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+HCOOH-H"	44.998201
"354053"	797.401851	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+Hac-H"	59.013851
"1502154"	428.207851	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Hac-H"	59.013851
"967148"	436.174151	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-H+NaCOOH"	66.980151
"116784"	404.163402	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+2Cl"	69.938804
"555616"	588.760402	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+2Cl"	69.938804
"1026605"	219.566402	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2Cl"	69.938804
"1247641"	448.112885	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Br"	78.918885
"1308631"	450.168872	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Cl+HCOOH"	80.974872
"1325036"	472.150829	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Cl+NaCOOH"	102.956829
"919374"	482.179586	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M-H+CF3COOH"	112.985586
"1293895"	518.156264	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Cl+CF3COOH"	148.962264
"1374242"	334.181324	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H-2H2O"	-35.012676
"1390646"	352.1913	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H-H2O"	-17.0027
"293613"	739.395276	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+H"	1.007276
"686764"	1108.589276	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+H"	1.007276
"1360926"	370.201276	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H"	1.007276
"130900"	370.201276	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+2H"	2.014552
"570822"	554.798276	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+2H"	2.014552
"1041811"	185.604276	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2H"	2.014552
"214818"	247.136609333333	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+3H"	3.021828
"654379"	370.201276	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+3H"	3.021828
"1172505"	124.071942666667	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+3H"	3.021828
"432498"	756.421823	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+NH4"	18.033823
"794586"	1125.615823	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+NH4"	18.033823
"1690919"	387.227823	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+NH4"	18.033823
"339195"	378.7145495	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+H+NH4"	19.041099
"732712"	563.3115495	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+H+NH4"	19.041099
"1486532"	194.1175495	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H+NH4"	19.041099
"400836"	761.377218	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+Na"	22.989218
"760740"	1130.571218	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+Na"	22.989218
"1615400"	392.183218	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Na"	22.989218
"325435"	381.192247	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+H+Na"	23.996494
"718948"	565.789247	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+H+Na"	23.996494
"1475687"	196.595247	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H+Na"	23.996494
"1066743"	131.399256666667	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2H+Na"	25.00377
"1269514"	402.227486	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+CH3OH+H"	33.033486
"382984"	777.351158	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+K"	38.963158
"748364"	1146.545158	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+K"	38.963158
"1549323"	408.157158	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+K"	38.963158
"309051"	389.179217	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+H+K"	39.970434
"694181"	573.776217	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+H+K"	39.970434
"1450550"	204.582217	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H+K"	39.970434
"240249"	780.421826	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+ACN+H"	42.033826
"1216240"	411.227826	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+ACN+H"	42.033826
"1202312"	206.117551	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+ACN+2H"	43.041102
"196276"	783.35916	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+2Na-H"	44.97116
"634743"	1152.55316	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+2Na-H"	44.97116
"1138253"	414.16516	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2Na-H"	44.97116
"183731"	392.183218	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+2Na"	45.978436
"625480"	576.780218	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+2Na"	45.978436
"1127163"	207.586218	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2Na"	45.978436
"1408134"	138.726570666667	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H+2Na"	46.985712
"1440251"	416.206746	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H+HCOOH"	47.012746
"229950"	397.21624	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+3H2O+2H"	56.04448
"1516921"	430.25879	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+IsoProp+H"	61.06479
"415511"	400.170188	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+Na+K"	61.952376
"780882"	584.767188	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+Na+K"	61.952376
"1676125"	215.573188	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Na+K"	61.952376
"260455"	802.403768	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+ACN+Na"	64.015768
"1231706"	433.209768	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+ACN+Na"	64.015768
"1713175"	433.233293	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+NH4+HCOOH"	64.039293
"1180478"	146.053884666667	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+3Na"	68.967654
"1652921"	438.188688	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Na+HCOOH"	68.994688
"162333"	815.30704	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+2K-H"	76.91904
"604810"	1184.50104	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+2K-H"	76.91904
"1088957"	446.11304	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2K-H"	76.91904
"143585"	408.157158	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"2M+2K"	77.926316
"586792"	592.754158	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"3M+2K"	77.926316
"1077865"	223.560158	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2K"	77.926316
"1105606"	448.127592	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2K+H"	78.933592
"1339076"	448.215207	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+DMSO+H"	79.021207
"1007605"	452.254376	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2ACN+H"	83.060376
"1525731"	453.248008	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+IsoProp+Na+H"	84.054008
"990353"	226.630826	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+2ACN+2H"	84.067652
"1587780"	454.162628	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+K+HCOOH"	84.968628
"1414310"	484.194138	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+H+CF3COOH"	115.000138
"1147129"	247.144101	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+3ACN+2H"	125.094202
"1709327"	501.220685	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+NH4+CF3COOH"	132.026685
"1646069"	506.17608	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+Na+CF3COOH"	136.98208
"1583906"	522.15002	"C08714"	"Thalicsessine;21-(2-Hydroxyethyl)-621-secohetisan-61119-trione"	"C22H27NO4"	"369.194"	"M+K+CF3COOH"	152.95602
"810992"	509.2989	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M"	0
"979056"	490.28051	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-H2O-H"	-19.01839
"74956"	338.525324	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M-3H"	-3.021828
"511234"	508.291624	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M-3H"	-3.021828
"890132"	168.759024	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-3H"	-3.021828
"9798"	508.291624	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M-2H"	-2.014552
"444984"	762.941074	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M-2H"	-2.014552
"820598"	253.642174	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-2H"	-2.014552
"82776"	1017.590524	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M-H"	-1.007276
"520514"	1526.889424	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M-H"	-1.007276
"898313"	508.291624	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-H"	-1.007276
"49044"	1034.617071	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M-2H+NH4"	16.019271
"487876"	1543.915971	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M-2H+NH4"	16.019271
"865679"	525.318171	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-2H+NH4"	16.019271
"33947"	1039.572466	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M-2H+Na"	20.974666
"474969"	1548.871366	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M-2H+Na"	20.974666
"859338"	530.273566	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-2H+Na"	20.974666
"1632154"	530.273566	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Na-2H"	20.974666
"106494"	526.279963	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M-H+Cl"	33.962126
"543871"	780.929413	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M-H+Cl"	33.962126
"937386"	271.630513	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-H+Cl"	33.962126
"268409"	1053.567202	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+Cl"	34.969402
"669459"	1562.866102	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+Cl"	34.969402
"1282957"	544.268302	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Cl"	34.969402
"25514"	1055.546406	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M-2H+K"	36.948606
"465075"	1564.845306	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M-2H+K"	36.948606
"840689"	546.247506	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-2H+K"	36.948606
"1565271"	546.247506	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+K-2H"	36.948606
"954250"	554.297094	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-H+HCOOH"	44.998194
"369183"	1063.596001	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+HCOOH-H"	44.998201
"354162"	1077.611651	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+Hac-H"	59.013851
"1498984"	568.312751	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Hac-H"	59.013851
"968351"	576.279051	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-H+NaCOOH"	66.980151
"116166"	544.268302	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+2Cl"	69.938804
"554633"	798.917752	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+2Cl"	69.938804
"1027080"	289.618852	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2Cl"	69.938804
"1248481"	588.217785	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Br"	78.918885
"1308376"	590.273772	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Cl+HCOOH"	80.974872
"1325146"	612.255729	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Cl+NaCOOH"	102.956829
"919485"	622.284486	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M-H+CF3COOH"	112.985586
"1294005"	658.261164	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Cl+CF3COOH"	148.962264
"1378728"	474.286224	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H-2H2O"	-35.012676
"1394037"	492.2962	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H-H2O"	-17.0027
"293359"	1019.605076	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+H"	1.007276
"686144"	1528.903976	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+H"	1.007276
"1359943"	510.306176	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H"	1.007276
"132104"	510.306176	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+2H"	2.014552
"570568"	764.955626	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+2H"	2.014552
"1043744"	255.656726	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2H"	2.014552
"212741"	340.539876	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+3H"	3.021828
"651212"	510.306176	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+3H"	3.021828
"1170430"	170.773576	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+3H"	3.021828
"430421"	1036.631623	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+NH4"	18.033823
"790325"	1545.930523	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+NH4"	18.033823
"1686653"	527.332723	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+NH4"	18.033823
"332014"	518.8194495	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+H+NH4"	19.041099
"727354"	773.4688995	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+H+NH4"	19.041099
"1481174"	264.1699995	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H+NH4"	19.041099
"396571"	1041.587018	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+Na"	22.989218
"756474"	1550.885918	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+Na"	22.989218
"1604572"	532.288118	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Na"	22.989218
"320079"	521.297147	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+H+Na"	23.996494
"715780"	775.946597	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+H+Na"	23.996494
"1470692"	266.647697	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H+Na"	23.996494
"1060652"	178.10089	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2H+Na"	25.00377
"1263423"	542.332386	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+CH3OH+H"	33.033486
"377616"	1057.560958	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+K"	38.963158
"749204"	1566.859858	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+K"	38.963158
"1550526"	548.262058	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+K"	38.963158
"308796"	529.284117	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+H+K"	39.970434
"693563"	783.933567	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+H+K"	39.970434
"1445614"	274.634667	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H+K"	39.970434
"240359"	1060.631626	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+ACN+H"	42.033826
"1213432"	551.332726	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+ACN+H"	42.033826
"1199139"	276.170001	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+ACN+2H"	43.041102
"195292"	1063.56896	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+2Na-H"	44.97116
"633759"	1572.86786	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+2Na-H"	44.97116
"1141644"	554.27006	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2Na-H"	44.97116
"184571"	532.288118	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+2Na"	45.978436
"626684"	786.937568	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+2Na"	45.978436
"1128732"	277.638668	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2Na"	45.978436
"1409339"	185.428204	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H+2Na"	46.985712
"1441455"	556.311646	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H+HCOOH"	47.012746
"230060"	537.32114	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+3H2O+2H"	56.04448
"1517031"	570.36369	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+IsoProp+H"	61.06479
"416715"	540.275088	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+Na+K"	61.952376
"780993"	794.924538	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+Na+K"	61.952376
"1675140"	285.625638	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Na+K"	61.952376
"261296"	1082.613568	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+ACN+Na"	64.015768
"1232181"	573.314668	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+ACN+Na"	64.015768
"1715598"	573.338193	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+NH4+HCOOH"	64.039293
"1183140"	192.755518	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+3Na"	68.967654
"1655219"	578.293588	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Na+HCOOH"	68.994688
"160257"	1095.51684	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+2K-H"	76.91904
"603826"	1604.81574	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+2K-H"	76.91904
"1087976"	586.21794	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2K-H"	76.91904
"146248"	548.262058	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"2M+2K"	77.926316
"586904"	802.911508	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"3M+2K"	77.926316
"1076881"	293.612608	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2K"	77.926316
"1106810"	588.232492	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2K+H"	78.933592
"1339187"	588.320107	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+DMSO+H"	79.021207
"1009537"	592.359276	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2ACN+H"	83.060376
"1526938"	593.352908	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+IsoProp+Na+H"	84.054008
"991924"	296.683276	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+2ACN+2H"	84.067652
"1587526"	594.267528	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+K+HCOOH"	84.968628
"1414515"	624.299038	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+H+CF3COOH"	115.000138
"1147238"	317.196551	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+3ACN+2H"	125.094202
"1710166"	641.325585	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+NH4+CF3COOH"	132.026685
"1646179"	646.28098	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+Na+CF3COOH"	136.98208
"1584016"	662.25492	"C08715"	"Tricornine"	"C27H43NO8"	"509.2989"	"M+K+CF3COOH"	152.95602
"811102"	331.0818	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M"	0
"978073"	312.06341	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-H2O-H"	-19.01839
"75066"	219.713924	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M-3H"	-3.021828
"511344"	330.074524	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M-3H"	-3.021828
"890242"	109.353324	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-3H"	-3.021828
"12096"	330.074524	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M-2H"	-2.014552
"449469"	495.615424	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M-2H"	-2.014552
"823989"	164.533624	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-2H"	-2.014552
"87260"	661.156324	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M-H"	-1.007276
"523542"	992.238124	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M-H"	-1.007276
"897694"	330.074524	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-H"	-1.007276
"48540"	678.182871	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M-2H+NH4"	16.019271
"489080"	1009.264671	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M-2H+NH4"	16.019271
"866888"	347.101071	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-2H+NH4"	16.019271
"34057"	683.138266	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M-2H+Na"	20.974666
"473982"	1014.220066	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M-2H+Na"	20.974666
"859446"	352.056466	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-2H+Na"	20.974666
"1632144"	352.056466	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Na-2H"	20.974666
"106604"	348.062863	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M-H+Cl"	33.962126
"543981"	513.603763	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M-H+Cl"	33.962126
"937496"	182.521963	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-H+Cl"	33.962126
"268398"	697.133002	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+Cl"	34.969402
"670662"	1028.214802	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+Cl"	34.969402
"1283796"	366.051202	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Cl"	34.969402
"25624"	699.112206	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M-2H+K"	36.948606
"464092"	1030.194006	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M-2H+K"	36.948606
"840799"	368.030406	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-2H+K"	36.948606
"1563194"	368.030406	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+K-2H"	36.948606
"955819"	376.079994	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-H+HCOOH"	44.998194
"368201"	707.161801	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+HCOOH-H"	44.998201
"355366"	721.177451	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+Hac-H"	59.013851
"1497637"	390.095651	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Hac-H"	59.013851
"965182"	398.061951	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-H+NaCOOH"	66.980151
"116277"	366.051202	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+2Cl"	69.938804
"553285"	531.592102	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+2Cl"	69.938804
"1027553"	200.510302	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2Cl"	69.938804
"1246768"	410.000685	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Br"	78.918885
"1308122"	412.056672	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Cl+HCOOH"	80.974872
"1324889"	434.038629	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Cl+NaCOOH"	102.956829
"920688"	444.067386	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M-H+CF3COOH"	112.985586
"1294115"	480.044064	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Cl+CF3COOH"	148.962264
"1376650"	296.069124	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H-2H2O"	-35.012676
"1395240"	314.0791	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H-H2O"	-17.0027
"292740"	663.170876	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+H"	1.007276
"688440"	994.252676	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+H"	1.007276
"1360417"	332.089076	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H"	1.007276
"133308"	332.089076	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+2H"	2.014552
"572864"	497.629976	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+2H"	2.014552
"1043854"	166.548176	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2H"	2.014552
"213944"	221.728476	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+3H"	3.021828
"653508"	332.089076	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+3H"	3.021828
"1172726"	111.367876	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+3H"	3.021828
"428346"	680.197423	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+NH4"	18.033823
"791528"	1011.279223	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+NH4"	18.033823
"1684576"	349.115623	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+NH4"	18.033823
"332488"	340.6023495	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+H+NH4"	19.041099
"726371"	506.1432495	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+H+NH4"	19.041099
"1483469"	175.0614495	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H+NH4"	19.041099
"395952"	685.152818	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+Na"	22.989218
"756583"	1016.234618	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+Na"	22.989218
"1605777"	354.071018	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Na"	22.989218
"323470"	343.080047	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+H+Na"	23.996494
"714797"	508.620947	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+H+Na"	23.996494
"1472624"	177.539147	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H+Na"	23.996494
"1065137"	118.69519	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2H+Na"	25.00377
"1264626"	364.115286	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+CH3OH+H"	33.033486
"379920"	701.126758	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+K"	38.963158
"748219"	1032.208558	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+K"	38.963158
"1549179"	370.044958	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+K"	38.963158
"303437"	351.067017	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+H+K"	39.970434
"694034"	516.607917	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+H+K"	39.970434
"1445605"	185.526117	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H+K"	39.970434
"236822"	704.197426	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+ACN+H"	42.033826
"1211718"	373.115626	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+ACN+H"	42.033826
"1194871"	187.061451	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+ACN+2H"	43.041102
"194308"	707.13476	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+2Na-H"	44.97116
"632046"	1038.21656	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+2Na-H"	44.97116
"1142483"	376.05296	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2Na-H"	44.97116
"184681"	354.071018	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+2Na"	45.978436
"625579"	519.611918	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+2Na"	45.978436
"1124830"	188.530118	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2Na"	45.978436
"1409812"	126.022504	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H+2Na"	46.985712
"1439376"	378.094546	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H+HCOOH"	47.012746
"229077"	359.10404	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+3H2O+2H"	56.04448
"1514954"	392.14659	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+IsoProp+H"	61.06479
"415734"	362.057988	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+Na+K"	61.952376
"778914"	527.598888	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+Na+K"	61.952376
"1675251"	196.517088	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Na+K"	61.952376
"262499"	726.179368	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+ACN+Na"	64.015768
"1231198"	395.097568	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+ACN+Na"	64.015768
"1713642"	395.121093	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+NH4+HCOOH"	64.039293
"1181427"	133.349818	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+3Na"	68.967654
"1654236"	400.076488	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Na+HCOOH"	68.994688
"159272"	739.08264	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+2K-H"	76.91904
"600655"	1070.16444	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+2K-H"	76.91904
"1085898"	408.00084	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2K-H"	76.91904
"145265"	370.044958	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"2M+2K"	77.926316
"585920"	535.585858	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"3M+2K"	77.926316
"1074805"	204.504058	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2K"	77.926316
"1105827"	410.015392	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2K+H"	78.933592
"1337111"	410.103007	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+DMSO+H"	79.021207
"1010011"	414.142176	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2ACN+H"	83.060376
"1525955"	415.135808	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+IsoProp+Na+H"	84.054008
"992034"	207.574726	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+2ACN+2H"	84.067652
"1588364"	416.050428	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+K+HCOOH"	84.968628
"1414507"	446.081938	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+H+CF3COOH"	115.000138
"1147308"	228.088001	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+3ACN+2H"	125.094202
"1709912"	463.108485	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+NH4+CF3COOH"	132.026685
"1646289"	468.06388	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+Na+CF3COOH"	136.98208
"1577565"	484.03782	"C08716"	"Malvidin;Malvidin chloride"	"C17H15O7"	"331.0818"	"M+K+CF3COOH"	152.95602
"813401"	482.1213	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M"	0
"987663"	463.10291	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-H2O-H"	-19.01839
"74082"	320.406924	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M-3H"	-3.021828
"514735"	481.114024	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M-3H"	-3.021828
"892538"	159.699824	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-3H"	-3.021828
"7835"	481.114024	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M-2H"	-2.014552
"445207"	722.174674	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M-2H"	-2.014552
"826287"	240.053374	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-2H"	-2.014552
"84091"	963.235324	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M-H"	-1.007276
"522557"	1445.356624	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M-H"	-1.007276
"898904"	481.114024	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-H"	-1.007276
"50000"	980.261871	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M-2H+NH4"	16.019271
"494301"	1462.383171	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M-2H+NH4"	16.019271
"876477"	498.140571	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-2H+NH4"	16.019271
"43285"	985.217266	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M-2H+Na"	20.974666
"482845"	1467.338566	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M-2H+Na"	20.974666
"863085"	503.095966	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-2H+Na"	20.974666
"1632007"	503.095966	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Na-2H"	20.974666
"103432"	499.102363	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M-H+Cl"	33.962126
"540810"	740.163013	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M-H+Cl"	33.962126
"939797"	258.041713	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-H+Cl"	33.962126
"279446"	999.212002	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+Cl"	34.969402
"671870"	1481.333302	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+Cl"	34.969402
"1283546"	517.090702	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Cl"	34.969402
"25736"	1001.191206	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M-2H+K"	36.948606
"466026"	1483.312506	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M-2H+K"	36.948606
"844559"	519.069906	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-2H+K"	36.948606
"1564402"	519.069906	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+K-2H"	36.948606
"952283"	527.119494	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-H+HCOOH"	44.998194
"368314"	1009.240801	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+HCOOH-H"	44.998201
"352560"	1023.256451	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+Hac-H"	59.013851
"1502124"	541.135151	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Hac-H"	59.013851
"964200"	549.101451	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-H+NaCOOH"	66.980151
"116753"	517.090702	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+2Cl"	69.938804
"559231"	758.151352	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+2Cl"	69.938804
"1029123"	276.030052	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2Cl"	69.938804
"1248701"	561.040185	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Br"	78.918885
"1309691"	563.096172	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Cl+HCOOH"	80.974872
"1327552"	585.078129	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Cl+NaCOOH"	102.956829
"916788"	595.106886	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M-H+CF3COOH"	112.985586
"1294225"	631.083564	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Cl+CF3COOH"	148.962264
"1376760"	447.108624	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H-2H2O"	-35.012676
"1389154"	465.1186	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H-H2O"	-17.0027
"292850"	965.249876	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+H"	1.007276
"686365"	1447.371176	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+H"	1.007276
"1362715"	483.128576	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H"	1.007276
"133418"	483.128576	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+2H"	2.014552
"570792"	724.189226	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+2H"	2.014552
"1042874"	242.067926	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2H"	2.014552
"215153"	322.421476	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+3H"	3.021828
"655804"	483.128576	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+3H"	3.021828
"1175752"	161.714376	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+3H"	3.021828
"437204"	982.276423	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+NH4"	18.033823
"791636"	1464.397723	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+NH4"	18.033823
"1686876"	500.155123	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+NH4"	18.033823
"336246"	491.6418495	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+H+NH4"	19.041099
"731948"	732.7024995	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+H+NH4"	19.041099
"1482488"	250.5811995	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H+NH4"	19.041099
"398979"	987.231818	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+Na"	22.989218
"761071"	1469.353118	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+Na"	22.989218
"1613543"	505.110518	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Na"	22.989218
"327590"	494.119547	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+H+Na"	23.996494
"719279"	735.180197	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+H+Na"	23.996494
"1472007"	253.058897	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H+Na"	23.996494
"1064153"	169.04169	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2H+Na"	25.00377
"1263643"	515.154786	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+CH3OH+H"	33.033486
"379178"	1003.205758	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+K"	38.963158
"751245"	1485.327058	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+K"	38.963158
"1551838"	521.084458	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+K"	38.963158
"309744"	502.106517	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+H+K"	39.970434
"695970"	743.167167	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+H+K"	39.970434
"1457446"	261.045867	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H+K"	39.970434
"240579"	1006.276426	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+ACN+H"	42.033826
"1212558"	524.155126	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+ACN+H"	42.033826
"1199358"	262.581201	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+ACN+2H"	43.041102
"197698"	1009.21376	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+2Na-H"	44.97116
"632885"	1491.33506	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+2Na-H"	44.97116
"1132378"	527.09246	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2Na-H"	44.97116
"184060"	505.110518	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+2Na"	45.978436
"624715"	746.171168	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+2Na"	45.978436
"1126033"	264.049868	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2Na"	45.978436
"1405185"	176.369004	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H+2Na"	46.985712
"1438394"	529.134046	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H+HCOOH"	47.012746
"232832"	510.14354	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+3H2O+2H"	56.04448
"1522355"	543.18609	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+IsoProp+H"	61.06479
"422041"	513.097488	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+Na+K"	61.952376
"781944"	754.158138	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+Na+K"	61.952376
"1679863"	272.036838	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Na+K"	61.952376
"260789"	1028.258368	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+ACN+Na"	64.015768
"1232404"	546.137068	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+ACN+Na"	64.015768
"1715822"	546.160593	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+NH4+HCOOH"	64.039293
"1182634"	183.696318	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+3Na"	68.967654
"1651433"	551.115988	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Na+HCOOH"	68.994688
"167769"	1041.16164	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+2K-H"	76.91904
"604049"	1523.28294	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+2K-H"	76.91904
"1088565"	559.04034	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2K-H"	76.91904
"145746"	521.084458	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"2M+2K"	77.926316
"584942"	762.145108	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"3M+2K"	77.926316
"1074920"	280.023808	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2K"	77.926316
"1105942"	561.054892	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2K+H"	78.933592
"1342327"	561.142507	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+DMSO+H"	79.021207
"1011954"	565.181676	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2ACN+H"	83.060376
"1533356"	566.175308	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+IsoProp+Na+H"	84.054008
"995431"	283.094476	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+2ACN+2H"	84.067652
"1588474"	567.089928	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+K+HCOOH"	84.968628
"1414862"	597.121438	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+H+CF3COOH"	115.000138
"1147824"	303.607751	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+3ACN+2H"	125.094202
"1710022"	614.147985	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+NH4+CF3COOH"	132.026685
"1648223"	619.10338	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+Na+CF3COOH"	136.98208
"1584236"	635.07732	"C08717"	"Silychristin"	"C25H22O10"	"482.1213"	"M+K+CF3COOH"	152.95602
"813510"	655.1874	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M"	0
"984854"	636.16901	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-H2O-H"	-19.01839
"74192"	435.784324	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M-3H"	-3.021828
"514845"	654.180124	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M-3H"	-3.021828
"890462"	217.388524	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-3H"	-3.021828
"10129"	654.180124	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M-2H"	-2.014552
"447501"	981.773824	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M-2H"	-2.014552
"825302"	326.586424	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-2H"	-2.014552
"83107"	1309.367524	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M-H"	-1.007276
"523760"	1964.554924	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M-H"	-1.007276
"901563"	654.180124	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-H"	-1.007276
"49741"	1326.394071	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M-2H+NH4"	16.019271
"494411"	1981.581471	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M-2H+NH4"	16.019271
"879739"	671.206671	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-2H+NH4"	16.019271
"46802"	1331.349466	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M-2H+Na"	20.974666
"485995"	1986.536866	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M-2H+Na"	20.974666
"861851"	676.162066	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-2H+Na"	20.974666
"1632722"	676.162066	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Na-2H"	20.974666
"100261"	672.168463	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M-H+Cl"	33.962126
"543107"	999.762163	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M-H+Cl"	33.962126
"938813"	344.574763	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-H+Cl"	33.962126
"280285"	1345.344202	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+Cl"	34.969402
"670885"	2000.531602	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+Cl"	34.969402
"1281104"	690.156802	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Cl"	34.969402
"23660"	1347.323406	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M-2H+K"	36.948606
"465407"	2002.510806	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M-2H+K"	36.948606
"842118"	692.136006	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-2H+K"	36.948606
"1567792"	692.136006	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+K-2H"	36.948606
"955311"	700.185594	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-H+HCOOH"	44.998194
"368424"	1355.373001	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+HCOOH-H"	44.998201
"352670"	1369.388651	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+Hac-H"	59.013851
"1503695"	714.201251	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Hac-H"	59.013851
"965403"	722.167551	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-H+NaCOOH"	66.980151
"118688"	690.156802	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+2Cl"	69.938804
"562260"	1017.750502	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+2Cl"	69.938804
"1031058"	362.563102	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2Cl"	69.938804
"1249907"	734.106285	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Br"	78.918885
"1310895"	736.162272	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Cl+HCOOH"	80.974872
"1324017"	758.144229	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Cl+NaCOOH"	102.956829
"920908"	768.172986	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M-H+CF3COOH"	112.985586
"1297617"	804.149664	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Cl+CF3COOH"	148.962264
"1376872"	620.174724	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H-2H2O"	-35.012676
"1386350"	638.1847	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H-H2O"	-17.0027
"288952"	1311.382076	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+H"	1.007276
"685383"	1966.569476	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+H"	1.007276
"1363919"	656.194676	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H"	1.007276
"134623"	656.194676	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+2H"	2.014552
"576370"	983.788376	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+2H"	2.014552
"1048454"	328.600976	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2H"	2.014552
"214168"	437.798876	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+3H"	3.021828
"652634"	656.194676	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+3H"	3.021828
"1170760"	219.403076	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+3H"	3.021828
"435129"	1328.408623	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+NH4"	18.033823
"789561"	1983.596023	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+NH4"	18.033823
"1688079"	673.221223	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+NH4"	18.033823
"334168"	664.7079495	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+H+NH4"	19.041099
"728778"	992.3016495	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+H+NH4"	19.041099
"1485878"	337.1142495	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H+NH4"	19.041099
"403463"	1333.364018	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+Na"	22.989218
"765556"	1988.551418	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+Na"	22.989218
"1614746"	678.176618	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Na"	22.989218
"328060"	667.185647	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+H+Na"	23.996494
"720482"	994.779347	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+H+Na"	23.996494
"1474301"	339.591947	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H+Na"	23.996494
"1062079"	226.73039	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2H+Na"	25.00377
"1263753"	688.220886	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+CH3OH+H"	33.033486
"380506"	1349.337958	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+K"	38.963158
"748803"	2004.525358	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+K"	38.963158
"1551948"	694.150558	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+K"	38.963158
"311313"	675.172617	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+H+K"	39.970434
"699359"	1002.766317	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+H+K"	39.970434
"1454277"	347.578917	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H+K"	39.970434
"243969"	1352.408626	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+ACN+H"	42.033826
"1213398"	697.221226	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+ACN+H"	42.033826
"1200563"	349.114251	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+ACN+2H"	43.041102
"195622"	1355.34596	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+2Na-H"	44.97116
"634088"	2010.53336	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+2Na-H"	44.97116
"1138691"	700.15856	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2Na-H"	44.97116
"184170"	678.176618	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+2Na"	45.978436
"621542"	1005.770318	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+2Na"	45.978436
"1122864"	350.582918	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2Na"	45.978436
"1409669"	234.057704	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H+2Na"	46.985712
"1438504"	702.200146	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H+HCOOH"	47.012746
"230387"	683.20964	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+3H2O+2H"	56.04448
"1521371"	716.25219	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+IsoProp+H"	61.06479
"421421"	686.163588	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+Na+K"	61.952376
"782419"	1013.757288	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+Na+K"	61.952376
"1674379"	358.569888	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Na+K"	61.952376
"256526"	1374.390568	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+ACN+Na"	64.015768
"1230327"	719.203168	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+ACN+Na"	64.015768
"1714840"	719.226693	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+NH4+HCOOH"	64.039293
"1179463"	241.385018	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+3Na"	68.967654
"1656646"	724.182088	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Na+HCOOH"	68.994688
"158766"	1387.29384	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+2K-H"	76.91904
"601973"	2042.48124	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+2K-H"	76.91904
"1084662"	732.10644	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2K-H"	76.91904
"141845"	694.150558	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"2M+2K"	77.926316
"586145"	1021.744258	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"3M+2K"	77.926316
"1073936"	366.556858	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2K"	77.926316
"1101678"	734.120992	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2K+H"	78.933592
"1341342"	734.208607	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+DMSO+H"	79.021207
"1007319"	738.247776	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2ACN+H"	83.060376
"1526904"	739.241408	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+IsoProp+Na+H"	84.054008
"995534"	369.627526	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+2ACN+2H"	84.067652
"1587856"	740.156028	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+K+HCOOH"	84.968628
"1414847"	770.187538	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+H+CF3COOH"	115.000138
"1147205"	390.140801	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+3ACN+2H"	125.094202
"1705390"	787.214085	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+NH4+CF3COOH"	132.026685
"1645417"	792.16948	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+Na+CF3COOH"	136.98208
"1584346"	808.14342	"C08718"	"Malvin"	"C29H35O17"	"655.1874"	"M+K+CF3COOH"	152.95602
"814714"	460.2614	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M"	0
"984966"	441.24301	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-H2O-H"	-19.01839
"73211"	305.833657333333	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M-3H"	-3.021828
"513862"	459.254124	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M-3H"	-3.021828
"886199"	152.413190666667	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-3H"	-3.021828
"9146"	459.254124	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M-2H"	-2.014552
"449799"	689.384824	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M-2H"	-2.014552
"827600"	229.123424	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-2H"	-2.014552
"80667"	919.515524	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M-H"	-1.007276
"521320"	1379.776924	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M-H"	-1.007276
"898392"	459.254124	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-H"	-1.007276
"48760"	936.542071	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M-2H+NH4"	16.019271
"490508"	1396.803471	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M-2H+NH4"	16.019271
"879374"	476.280671	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-2H+NH4"	16.019271
"46711"	941.497466	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M-2H+Na"	20.974666
"486674"	1401.758866	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M-2H+Na"	20.974666
"863055"	481.236066	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-2H+Na"	20.974666
"1632588"	481.236066	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Na-2H"	20.974666
"100371"	477.242463	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M-H+Cl"	33.962126
"546498"	707.373163	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M-H+Cl"	33.962126
"937826"	247.111763	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-H+Cl"	33.962126
"275289"	955.492202	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+Cl"	34.969402
"670992"	1415.753602	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+Cl"	34.969402
"1282304"	495.230802	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Cl"	34.969402
"23771"	957.471406	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M-2H+K"	36.948606
"465518"	1417.732806	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M-2H+K"	36.948606
"843318"	497.210006	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-2H+K"	36.948606
"1567538"	497.210006	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+K-2H"	36.948606
"955420"	505.259594	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-H+HCOOH"	44.998194
"366710"	965.521001	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+HCOOH-H"	44.998201
"349863"	979.536651	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+Hac-H"	59.013851
"1501250"	519.275251	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Hac-H"	59.013851
"966604"	527.241551	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-H+NaCOOH"	66.980151
"115514"	495.230802	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+2Cl"	69.938804
"560547"	725.361502	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+2Cl"	69.938804
"1032261"	265.100102	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2Cl"	69.938804
"1246736"	539.180285	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Br"	78.918885
"1310276"	541.236272	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Cl+HCOOH"	80.974872
"1324491"	563.218229	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Cl+NaCOOH"	102.956829
"918466"	573.246986	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M-H+CF3COOH"	112.985586
"1296634"	609.223664	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Cl+CF3COOH"	148.962264
"1375888"	425.248724	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H-2H2O"	-35.012676
"1386094"	443.2587	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H-H2O"	-17.0027
"289062"	921.530076	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+H"	1.007276
"683307"	1381.791476	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+H"	1.007276
"1356740"	461.268676	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H"	1.007276
"132546"	461.268676	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+2H"	2.014552
"572106"	691.399376	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+2H"	2.014552
"1049293"	231.137976	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2H"	2.014552
"214279"	307.848209333333	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+3H"	3.021828
"653839"	461.268676	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+3H"	3.021828
"1166497"	154.427742666667	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+3H"	3.021828
"427581"	938.556623	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+NH4"	18.033823
"792952"	1398.818023	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+NH4"	18.033823
"1687097"	478.295223	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+NH4"	18.033823
"334281"	469.7819495	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+H+NH4"	19.041099
"728888"	699.9126495	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+H+NH4"	19.041099
"1488176"	239.6512495	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H+NH4"	19.041099
"400295"	943.512018	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+Na"	22.989218
"767488"	1403.773418	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+Na"	22.989218
"1614856"	483.250618	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Na"	22.989218
"329509"	472.259647	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+H+Na"	23.996494
"721320"	702.390347	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+H+Na"	23.996494
"1474411"	242.128947	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H+Na"	23.996494
"1063282"	161.755056666667	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2H+Na"	25.00377
"1264594"	493.294886	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+CH3OH+H"	33.033486
"379524"	959.485958	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+K"	38.963158
"750007"	1419.747358	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+K"	38.963158
"1550966"	499.224558	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+K"	38.963158
"307050"	480.246617	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+H+K"	39.970434
"695093"	710.377317	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+H+K"	39.970434
"1451105"	250.115917	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H+K"	39.970434
"241893"	962.556626	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+ACN+H"	42.033826
"1211321"	502.295226	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+ACN+H"	42.033826
"1196664"	251.651251	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+ACN+2H"	43.041102
"192450"	965.49396	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+2Na-H"	44.97116
"632739"	1425.75536	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+2Na-H"	44.97116
"1135521"	505.23256	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2Na-H"	44.97116
"183186"	483.250618	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+2Na"	45.978436
"618372"	713.381318	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+2Na"	45.978436
"1126255"	253.119918	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2Na"	45.978436
"1409778"	169.082370666667	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H+2Na"	46.985712
"1436428"	507.274146	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H+HCOOH"	47.012746
"226123"	488.28364	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+3H2O+2H"	56.04448
"1520752"	521.32619	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+IsoProp+H"	61.06479
"419344"	491.237588	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+Na+K"	61.952376
"783257"	721.368288	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+Na+K"	61.952376
"1675581"	261.106888	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Na+K"	61.952376
"259916"	984.538568	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+ACN+Na"	64.015768
"1233716"	524.277168	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+ACN+Na"	64.015768
"1717137"	524.300693	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+NH4+HCOOH"	64.039293
"1183585"	176.409684666667	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+3Na"	68.967654
"1654569"	529.256088	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Na+HCOOH"	68.994688
"158876"	997.44184	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+2K-H"	76.91904
"598925"	1457.70324	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+2K-H"	76.91904
"1086596"	537.18044	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2K-H"	76.91904
"145235"	499.224558	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"2M+2K"	77.926316
"585161"	729.355258	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"3M+2K"	77.926316
"1074047"	269.093858	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2K"	77.926316
"1103975"	539.194992	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2K+H"	78.933592
"1342546"	539.282607	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+DMSO+H"	79.021207
"1008888"	543.321776	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2ACN+H"	83.060376
"1527380"	544.315408	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+IsoProp+Na+H"	84.054008
"993095"	272.164526	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+2ACN+2H"	84.067652
"1592341"	545.230028	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+K+HCOOH"	84.968628
"1414959"	575.261538	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+H+CF3COOH"	115.000138
"1151570"	292.677801	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+3ACN+2H"	125.094202
"1705500"	592.288085	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+NH4+CF3COOH"	132.026685
"1646620"	597.24348	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+Na+CF3COOH"	136.98208
"1584456"	613.21742	"C08719"	"Sophoranone"	"C30H36O4"	"460.2614"	"M+K+CF3COOH"	152.95602
"814824"	286.0477	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M"	0
"985074"	267.02931	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"75507"	189.691190666667	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"515795"	285.040424	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"890683"	94.3419573333333	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"13630"	285.040424	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"451004"	428.064274	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"827711"	142.016574	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"82236"	571.088124	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"519079"	857.135824	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"898139"	285.040424	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"50691"	588.114671	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"492445"	874.162371	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"871341"	302.066971	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"43615"	593.070066	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"480989"	879.117766	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"863044"	307.022366	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1629418"	307.022366	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"103761"	303.028763	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"546608"	446.052613	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"937936"	160.004913	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"275399"	607.064802	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"666727"	893.112502	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1281321"	321.017102	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"23881"	609.044006	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"465628"	895.091706	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"841243"	322.996306	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1565825"	322.996306	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"954074"	331.045894	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"366456"	617.093601	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"349244"	631.109251	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1500268"	345.061551	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"963436"	353.027851	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"115624"	321.017102	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"557378"	464.040952	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1032372"	177.993252	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1249033"	364.966585	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1308929"	367.022572	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1325697"	389.004529	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"920036"	399.033286	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1293828"	435.009964	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1377091"	251.035024	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1388028"	269.045	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"290995"	573.102676	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"684510"	859.150376	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1360859"	287.054976	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"132656"	287.054976	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"572217"	430.078826	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1044301"	144.031126	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"214388"	191.705742666667	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"652855"	287.054976	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1170981"	96.3565093333333	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"433160"	590.129223	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"790875"	876.176923	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1685021"	304.081523	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"337671"	295.5682495	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"731184"	438.5920995	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1487192"	152.5443995	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"405870"	595.084618	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"765772"	881.132318	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1616785"	309.036918	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"324635"	298.045947	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"718514"	441.069797	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1472334"	155.022097	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1064484"	103.683823333333	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1265797"	319.081186	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"379634"	611.058558	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"751211"	897.106258	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1551076"	325.010858	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"308253"	306.032917	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"692287"	449.056767	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1449028"	163.009067	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"242003"	614.129226	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1214716"	328.081526	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1197502"	164.544401	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"190737"	617.06656	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"630296"	903.11426	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1135629"	331.01886	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"174544"	309.036918	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"618482"	452.060768	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1124175"	166.013068	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1403693"	111.011137333333	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1442007"	333.060446	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"232796"	314.06994	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1522320"	347.11249	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"420547"	317.023888	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"783368"	460.047738	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1676784"	174.000038	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"260026"	636.111168	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1233826"	350.063468	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1717248"	350.086993	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1183695"	118.338451333333	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1652494"	355.042388	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"158623"	649.01444	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"597939"	935.06214	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1087436"	362.96674	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"146075"	325.010858	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"587460"	468.034708	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1075250"	181.987008	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1102263"	364.981292	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1338644"	365.068907	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1007541"	369.108076	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1528219"	370.101708	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"992113"	185.057676	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1591358"	371.016328	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1415191"	401.047838	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1149494"	205.570951	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1705610"	418.074385	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1636156"	423.02978	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1584566"	439.00372	"C08720"	"Maritimetin"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"812748"	282.0528	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M"	0
"986284"	263.03441	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-H2O-H"	-19.01839
"74525"	187.027924	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M-3H"	-3.021828
"508620"	281.045524	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M-3H"	-3.021828
"888607"	93.010324	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-3H"	-3.021828
"8274"	281.045524	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M-2H"	-2.014552
"446740"	422.071924	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M-2H"	-2.014552
"823449"	140.019124	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-2H"	-2.014552
"80160"	563.098324	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M-H"	-1.007276
"520447"	845.151124	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M-H"	-1.007276
"899710"	281.045524	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-H"	-1.007276
"48619"	580.124871	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M-2H+NH4"	16.019271
"494742"	862.177671	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M-2H+NH4"	16.019271
"865981"	298.072071	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-2H+NH4"	16.019271
"40444"	585.080266	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M-2H+Na"	20.974666
"478912"	867.133066	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M-2H+Na"	20.974666
"863154"	303.027466	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-2H+Na"	20.974666
"1630626"	303.027466	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Na-2H"	20.974666
"104975"	299.033863	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M-H+Cl"	33.962126
"543440"	440.060263	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M-H+Cl"	33.962126
"936954"	158.007463	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-H+Cl"	33.962126
"275515"	599.075002	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+Cl"	34.969402
"666844"	881.127802	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+Cl"	34.969402
"1281071"	317.022202	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Cl"	34.969402
"21436"	601.054206	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M-2H+K"	36.948606
"462452"	883.107006	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M-2H+K"	36.948606
"841351"	319.001406	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-2H+K"	36.948606
"1563746"	319.001406	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+K-2H"	36.948606
"944704"	327.050994	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-H+HCOOH"	44.998194
"365474"	609.103801	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+HCOOH-H"	44.998201
"348627"	623.119451	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+Hac-H"	59.013851
"1496731"	341.066651	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Hac-H"	59.013851
"965730"	349.032951	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-H+NaCOOH"	66.980151
"113912"	317.022202	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+2Cl"	69.938804
"551645"	458.048602	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+2Cl"	69.938804
"1029560"	175.995802	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2Cl"	69.938804
"1246953"	360.971685	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Br"	78.918885
"1313774"	363.027672	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Cl+HCOOH"	80.974872
"1323982"	385.009629	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Cl+NaCOOH"	102.956829
"914675"	395.038386	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M-H+CF3COOH"	112.985586
"1299041"	431.015064	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Cl+CF3COOH"	148.962264
"1372462"	247.040124	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H-2H2O"	-35.012676
"1390324"	265.0501	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H-H2O"	-17.0027
"294386"	565.112876	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+H"	1.007276
"683527"	847.165676	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+H"	1.007276
"1362064"	283.060076	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H"	1.007276
"131674"	283.060076	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+2H"	2.014552
"579986"	424.086476	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+2H"	2.014552
"1050606"	142.033676	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2H"	2.014552
"211217"	189.042476	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+3H"	3.021828
"659160"	283.060076	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+3H"	3.021828
"1175103"	95.024876	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+3H"	3.021828
"434363"	582.139423	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+NH4"	18.033823
"797545"	864.192223	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+NH4"	18.033823
"1688410"	300.086623	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+NH4"	18.033823
"341062"	291.5733495	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+H+NH4"	19.041099
"731298"	432.5997495	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+H+NH4"	19.041099
"1489493"	150.5469495	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H+NH4"	19.041099
"402704"	587.094818	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+Na"	22.989218
"768073"	869.147618	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+Na"	22.989218
"1615076"	305.042018	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Na"	22.989218
"329244"	294.051047	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+H+Na"	23.996494
"722598"	435.077447	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+H+Na"	23.996494
"1473537"	153.024647	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H+Na"	23.996494
"1065324"	102.35219	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2H+Na"	25.00377
"1267368"	315.086286	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+CH3OH+H"	33.033486
"389232"	603.068758	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+K"	38.963158
"750227"	885.121558	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+K"	38.963158
"1545719"	321.015958	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+K"	38.963158
"300341"	302.038017	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+H+K"	39.970434
"691909"	443.064417	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+H+K"	39.970434
"1446949"	161.011617	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H+K"	39.970434
"237005"	606.139426	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+ACN+H"	42.033826
"1211900"	324.086626	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+ACN+H"	42.033826
"1196149"	162.546951	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+ACN+2H"	43.041102
"191937"	609.07676	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+2Na-H"	44.97116
"630774"	891.12956	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+2Na-H"	44.97116
"1133911"	327.02396	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2Na-H"	44.97116
"180126"	305.042018	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+2Na"	45.978436
"621874"	446.068418	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+2Na"	45.978436
"1123560"	164.015618	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2Na"	45.978436
"1403803"	109.679504	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H+2Na"	46.985712
"1433002"	329.065546	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H+HCOOH"	47.012746
"232907"	310.07504	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+3H2O+2H"	56.04448
"1518785"	343.11759	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+IsoProp+H"	61.06479
"420659"	313.028988	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+Na+K"	61.952376
"782387"	454.055388	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+Na+K"	61.952376
"1675803"	172.002588	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Na+K"	61.952376
"257947"	628.121368	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+ACN+Na"	64.015768
"1226648"	346.068568	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+ACN+Na"	64.015768
"1716629"	346.092093	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+NH4+HCOOH"	64.039293
"1181617"	117.006818	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+3Na"	68.967654
"1650658"	351.047488	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Na+HCOOH"	68.994688
"163836"	641.02464	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+2K-H"	76.91904
"599022"	923.07744	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+2K-H"	76.91904
"1086086"	358.97184	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2K-H"	76.91904
"142173"	321.015958	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"2M+2K"	77.926316
"583193"	462.042358	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"3M+2K"	77.926316
"1072079"	179.989558	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2K"	77.926316
"1106382"	360.986392	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2K+H"	78.933592
"1339486"	361.074007	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+DMSO+H"	79.021207
"1009106"	365.113176	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2ACN+H"	83.060376
"1526504"	366.106808	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+IsoProp+Na+H"	84.054008
"991860"	183.060226	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+2ACN+2H"	84.067652
"1592562"	367.021428	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+K+HCOOH"	84.968628
"1419318"	397.052938	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+H+CF3COOH"	115.000138
"1149609"	203.573501	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+3ACN+2H"	125.094202
"1702440"	414.079485	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+NH4+CF3COOH"	132.026685
"1640279"	419.03488	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+Na+CF3COOH"	136.98208
"1574834"	435.00882	"C08722"	"45-Methylenedioxy-6-hydroxyaurone"	"C16H10O5"	"282.0528"	"M+K+CF3COOH"	152.95602
"814317"	913.2039	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M"	0
"987488"	894.18551	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-H2O-H"	-19.01839
"75729"	607.795324	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M-3H"	-3.021828
"510917"	912.196624	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M-3H"	-3.021828
"888718"	303.394024	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-3H"	-3.021828
"8384"	912.196624	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M-2H"	-2.014552
"452317"	1368.798574	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M-2H"	-2.014552
"824653"	455.594674	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-2H"	-2.014552
"85737"	1825.400524	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M-H"	-1.007276
"521287"	2738.604424	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M-H"	-1.007276
"903100"	912.196624	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-H"	-1.007276
"48729"	1842.427071	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M-2H+NH4"	16.019271
"492663"	2755.630971	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M-2H+NH4"	16.019271
"870466"	929.223171	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-2H+NH4"	16.019271
"39460"	1847.382466	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M-2H+Na"	20.974666
"477927"	2760.586366	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M-2H+Na"	20.974666
"862657"	934.178566	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-2H+Na"	20.974666
"1627456"	934.178566	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Na-2H"	20.974666
"100712"	930.184963	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M-H+Cl"	33.962126
"541364"	1386.786913	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M-H+Cl"	33.962126
"934877"	473.583013	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-H+Cl"	33.962126
"273073"	1861.377202	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+Cl"	34.969402
"666954"	2774.581102	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+Cl"	34.969402
"1282638"	948.173302	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Cl"	34.969402
"21546"	1863.356406	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M-2H+K"	36.948606
"460740"	2776.560306	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M-2H+K"	36.948606
"842555"	950.152506	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-2H+K"	36.948606
"1564950"	950.152506	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+K-2H"	36.948606
"948461"	958.202094	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-H+HCOOH"	44.998194
"367773"	1871.406001	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+HCOOH-H"	44.998201
"349832"	1885.421651	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+Hac-H"	59.013851
"1497571"	972.217751	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Hac-H"	59.013851
"967664"	980.184051	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-H+NaCOOH"	66.980151
"114750"	948.173302	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+2Cl"	69.938804
"555404"	1404.775252	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+2Cl"	69.938804
"1027485"	491.571352	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2Cl"	69.938804
"1248885"	992.122785	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Br"	78.918885
"1311699"	994.178772	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Cl+HCOOH"	80.974872
"1325186"	1016.160729	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Cl+NaCOOH"	102.956829
"917702"	1026.189486	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M-H+CF3COOH"	112.985586
"1298057"	1062.166164	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Cl+CF3COOH"	148.962264
"1372572"	878.191224	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H-2H2O"	-35.012676
"1390434"	896.2012	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H-H2O"	-17.0027
"294496"	1827.415076	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+H"	1.007276
"683637"	2740.618976	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+H"	1.007276
"1361081"	914.211176	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H"	1.007276
"137251"	914.211176	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+2H"	2.014552
"578636"	1370.813126	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+2H"	2.014552
"1048893"	457.609226	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2H"	2.014552
"213514"	609.809876	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+3H"	3.021828
"657813"	914.211176	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+3H"	3.021828
"1175577"	305.408576	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+3H"	3.021828
"435567"	1844.441623	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+NH4"	18.033823
"797656"	2757.645523	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+NH4"	18.033823
"1685239"	931.237723	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+NH4"	18.033823
"338984"	922.7244495	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+H+NH4"	19.041099
"730314"	1379.3263995	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+H+NH4"	19.041099
"1488507"	466.1224995	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H+NH4"	19.041099
"402814"	1849.397018	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+Na"	22.989218
"764902"	2762.600918	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+Na"	22.989218
"1616887"	936.193118	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Na"	22.989218
"328622"	925.202147	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+H+Na"	23.996494
"722386"	1381.804097	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+H+Na"	23.996494
"1475469"	468.600197	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H+Na"	23.996494
"1065433"	312.73589	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2H+Na"	25.00377
"1267478"	946.237386	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+CH3OH+H"	33.033486
"386063"	1865.370958	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+K"	38.963158
"748151"	2778.574858	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+K"	38.963158
"1542549"	952.167058	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+K"	38.963158
"300086"	933.189117	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+H+K"	39.970434
"693232"	1389.791067	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+H+K"	39.970434
"1447422"	476.587167	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H+K"	39.970434
"237840"	1868.441626	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+ACN+H"	42.033826
"1212739"	955.237726	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+ACN+H"	42.033826
"1196259"	478.122501	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+ACN+2H"	43.041102
"190224"	1871.37896	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+2Na-H"	44.97116
"631246"	2784.58286	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+2Na-H"	44.97116
"1134751"	958.17506	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2Na-H"	44.97116
"182423"	936.193118	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+2Na"	45.978436
"621984"	1392.795068	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+2Na"	45.978436
"1121117"	479.591168	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2Na"	45.978436
"1403913"	320.063204	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H+2Na"	46.985712
"1436758"	960.216646	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H+HCOOH"	47.012746
"226457"	941.22614	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+3H2O+2H"	56.04448
"1521082"	974.26869	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+IsoProp+H"	61.06479
"423688"	944.180088	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+Na+K"	61.952376
"782134"	1400.782038	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+Na+K"	61.952376
"1677736"	487.578138	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Na+K"	61.952376
"258057"	1890.423568	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+ACN+Na"	64.015768
"1226394"	977.219668	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+ACN+Na"	64.015768
"1716375"	977.243193	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+NH4+HCOOH"	64.039293
"1180634"	327.390518	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+3Na"	68.967654
"1650034"	982.198588	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Na+HCOOH"	68.994688
"161760"	1903.32684	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+2K-H"	76.91904
"598402"	2816.53074	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+2K-H"	76.91904
"1086926"	990.12294	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2K-H"	76.91904
"145930"	952.167058	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"2M+2K"	77.926316
"585490"	1408.769008	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"3M+2K"	77.926316
"1071096"	495.565108	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2K"	77.926316
"1102483"	992.137492	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2K+H"	78.933592
"1339596"	992.225107	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+DMSO+H"	79.021207
"1007272"	996.264276	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2ACN+H"	83.060376
"1526252"	997.257908	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+IsoProp+Na+H"	84.054008
"994887"	498.635776	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+2ACN+2H"	84.067652
"1591579"	998.172528	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+K+HCOOH"	84.968628
"1424896"	1028.204038	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+H+CF3COOH"	115.000138
"1149719"	519.149051	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+3ACN+2H"	125.094202
"1702550"	1045.230585	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+NH4+CF3COOH"	132.026685
"1646950"	1050.18598	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+Na+CF3COOH"	136.98208
"1578226"	1066.15992	"C08723"	"Monardaein"	"C42H41O23"	"913.2039"	"M+K+CF3COOH"	152.95602
"816250"	288.0634	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M"	0
"989590"	269.04501	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"75840"	191.034990666667	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"512120"	287.056124	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"891016"	95.0138573333333	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"8499"	287.056124	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"451336"	431.087824	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"830598"	143.024424	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"90226"	575.119524	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"531971"	863.182924	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"906492"	287.056124	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"61840"	592.146071	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"499334"	880.209471	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"877138"	304.082671	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"46013"	597.101466	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"485817"	885.164866	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"860216"	309.038066	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1630844"	309.038066	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"100459"	305.044463	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"545853"	449.076163	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"939367"	161.012763	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"274641"	611.096202	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"673023"	899.159602	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1284937"	323.032802	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"27493"	613.075406	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"468150"	901.138806	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"843762"	325.012006	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1565065"	325.012006	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"950764"	333.061594	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"364239"	621.125001	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"351766"	635.140651	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1495130"	347.077251	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"959754"	355.043551	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"113040"	323.032802	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"556610"	467.064502	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1029782"	179.001102	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1251550"	366.982285	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1312906"	369.038272	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1329308"	391.020229	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"918180"	401.048986	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1299264"	437.025664	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1381556"	253.050724	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1398331"	271.0607	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"298462"	577.134076	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"689949"	865.197476	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1366913"	289.070676	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"141176"	289.070676	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"581257"	433.102376	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1051192"	145.038976	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"217635"	193.049542666667	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"659719"	289.070676	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1174593"	97.0284093333333	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"435678"	594.160623	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"796672"	882.224023	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1696528"	306.097223	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"343469"	297.5839495	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"733704"	441.6156495	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1489711"	153.5522495	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"404016"	599.116018	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"763918"	887.179418	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1616388"	311.052618	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"326424"	300.061647	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"722007"	444.093347	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1473758"	156.029947	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1062628"	104.355723333333	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1270509"	321.096886	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"381800"	615.089958	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"742793"	903.153358	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1545940"	327.026558	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"304210"	308.048617	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"694076"	452.080317	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1447897"	164.016917	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"238322"	618.160626	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1211155"	330.097226	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1196742"	165.552251	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"192893"	621.09796	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"639018"	909.16136	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1142522"	333.03456	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"183630"	311.052618	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"620274"	455.084318	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1122328"	167.020918	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1406944"	111.683037333333	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1439057"	335.076146	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"228756"	316.08564	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1521927"	349.12819	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"423803"	319.039588	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"781883"	463.071288	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1680763"	175.007888	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"264005"	640.142568	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1231973"	352.079168	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1720860"	352.102693	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1188401"	119.010351333333	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1659387"	357.058088	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"164059"	653.04584	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"603619"	941.10924	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1088133"	364.98244	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"152604"	327.026558	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"592166"	471.058258	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1077771"	182.994858	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1105513"	366.996992	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1339712"	367.084607	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1009332"	371.123776	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1528552"	372.117408	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"1002289"	186.065526	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1594969"	373.032028	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1425006"	403.063538	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1155296"	206.578801	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1705940"	420.090085	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1640497"	425.04548	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1575056"	441.01942	"C08724"	"Okanin"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"811985"	595.1663	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M"	0
"987708"	576.14791	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H2O-H"	-19.01839
"74856"	395.770257333333	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-3H"	-3.021828
"513323"	594.159024	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-3H"	-3.021828
"888937"	197.381490666667	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-3H"	-3.021828
"10792"	594.159024	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H"	-2.014552
"451444"	891.742174	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H"	-2.014552
"828151"	296.575874	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H"	-2.014552
"88144"	1189.325324	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-H"	-1.007276
"532811"	1784.491624	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-H"	-1.007276
"903320"	594.159024	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H"	-1.007276
"55509"	1206.351871	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H+NH4"	16.019271
"493975"	1801.518171	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H+NH4"	16.019271
"873968"	611.185571	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H+NH4"	16.019271
"45881"	1211.307266	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H+Na"	20.974666
"485077"	1806.473566	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H+Na"	20.974666
"860326"	616.140966	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H+Na"	20.974666
"1632047"	616.140966	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na-2H"	20.974666
"105304"	612.147363	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-H+Cl"	33.962126
"545957"	909.730513	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-H+Cl"	33.962126
"941301"	314.564213	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+Cl"	33.962126
"278031"	1225.302002	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Cl"	34.969402
"672640"	1820.468302	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+Cl"	34.969402
"1285047"	630.135702	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl"	34.969402
"26509"	1227.281206	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H+K"	36.948606
"467166"	1822.447506	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H+K"	36.948606
"845694"	632.114906	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H+K"	36.948606
"1569911"	632.114906	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K-2H"	36.948606
"951966"	640.164494	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+HCOOH"	44.998194
"365807"	1235.330801	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+HCOOH-H"	44.998201
"351875"	1249.346451	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Hac-H"	59.013851
"1495603"	654.180151	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Hac-H"	59.013851
"961688"	662.146451	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+NaCOOH"	66.980151
"112416"	630.135702	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2Cl"	69.938804
"553434"	927.718852	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2Cl"	69.938804
"1026975"	332.552552	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2Cl"	69.938804
"1247285"	674.085185	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Br"	78.918885
"1313016"	676.141172	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl+HCOOH"	80.974872
"1329418"	698.123129	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl+NaCOOH"	102.956829
"918654"	708.151886	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+CF3COOH"	112.985586
"1298279"	744.128564	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl+CF3COOH"	148.962264
"1380815"	560.153624	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H-2H2O"	-35.012676
"1396124"	578.1636	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H-H2O"	-17.0027
"296904"	1191.339876	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H"	1.007276
"690419"	1786.506176	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H"	1.007276
"1367001"	596.173576	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H"	1.007276
"141404"	596.173576	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2H"	2.014552
"578128"	893.756726	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2H"	2.014552
"1052395"	298.590426	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2H"	2.014552
"219202"	397.784809333333	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+3H"	3.021828
"659882"	596.173576	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+3H"	3.021828
"1176768"	199.396042666667	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+3H"	3.021828
"435787"	1208.366423	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+NH4"	18.033823
"800792"	1803.532723	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+NH4"	18.033823
"1695911"	613.200123	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+NH4"	18.033823
"343215"	604.6868495	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H+NH4"	19.041099
"735637"	902.2699995	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H+NH4"	19.041099
"1490550"	307.1036995	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+NH4"	19.041099
"407042"	1213.321818	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Na"	22.989218
"768400"	1808.488118	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+Na"	22.989218
"1617836"	618.155518	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na"	22.989218
"329734"	607.164547	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H+Na"	23.996494
"721510"	904.747697	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H+Na"	23.996494
"1474961"	309.581397	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+Na"	23.996494
"1066018"	206.723356666667	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2H+Na"	25.00377
"1272750"	628.199786	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+CH3OH+H"	33.033486
"381910"	1229.295758	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+K"	38.963158
"745090"	1824.462058	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+K"	38.963158
"1547143"	634.129458	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K"	38.963158
"305413"	615.151517	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H+K"	39.970434
"695646"	912.734667	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H+K"	39.970434
"1447283"	317.568367	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+K"	39.970434
"236003"	1232.366426	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+ACN+H"	42.033826
"1210901"	637.200126	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+ACN+H"	42.033826
"1199040"	319.103701	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+ACN+2H"	43.041102
"191909"	1235.30376	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2Na-H"	44.97116
"633658"	1830.47006	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2Na-H"	44.97116
"1136069"	640.13746	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2Na-H"	44.97116
"174376"	618.155518	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2Na"	45.978436
"617102"	915.738668	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2Na"	45.978436
"1125717"	320.572368	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2Na"	45.978436
"1408145"	214.050670666667	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+2Na"	46.985712
"1442447"	642.179046	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+HCOOH"	47.012746
"229959"	623.18854	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+3H2O+2H"	56.04448
"1522401"	656.23109	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+IsoProp+H"	61.06479
"424154"	626.142488	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Na+K"	61.952376
"782721"	923.725638	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+Na+K"	61.952376
"1680874"	328.559338	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na+K"	61.952376
"264479"	1254.348368	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+ACN+Na"	64.015768
"1232083"	659.182068	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+ACN+Na"	64.015768
"1723157"	659.205593	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+NH4+HCOOH"	64.039293
"1188511"	221.377984666667	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+3Na"	68.967654
"1655487"	664.160988	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na+HCOOH"	68.994688
"161253"	1267.25164	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2K-H"	76.91904
"602635"	1862.41794	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2K-H"	76.91904
"1088971"	672.08534	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2K-H"	76.91904
"145423"	634.129458	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2K"	77.926316
"590088"	931.712608	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2K"	77.926316
"1077881"	336.546308	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2K"	77.926316
"1106715"	674.099892	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2K+H"	78.933592
"1338722"	674.187507	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+DMSO+H"	79.021207
"1007254"	678.226676	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2ACN+H"	83.060376
"1528662"	679.220308	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+IsoProp+Na+H"	84.054008
"996204"	339.616976	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2ACN+2H"	84.067652
"1593986"	680.134928	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K+HCOOH"	84.968628
"1425116"	710.166438	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+CF3COOH"	115.000138
"1152126"	360.130251	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+3ACN+2H"	125.094202
"1706050"	727.192985	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+NH4+CF3COOH"	132.026685
"1638420"	732.14838	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na+CF3COOH"	136.98208
"1575166"	748.12232	"C08725"	"Pelargonin;Pelargonidin 35-di-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K+CF3COOH"	152.95602
"815011"	336.0401	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M"	0
"988183"	317.02171	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-H2O-H"	-19.01839
"76059"	223.019457333333	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M-3H"	-3.021828
"514527"	335.032824	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M-3H"	-3.021828
"886860"	111.006090666667	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-3H"	-3.021828
"9809"	335.032824	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M-2H"	-2.014552
"451555"	503.052874	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M-2H"	-2.014552
"827168"	167.012774	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-2H"	-2.014552
"84974"	671.072924	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M-H"	-1.007276
"531828"	1007.113024	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M-H"	-1.007276
"900150"	335.032824	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-H"	-1.007276
"58899"	688.099471	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M-2H+NH4"	16.019271
"492992"	1024.139571	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M-2H+NH4"	16.019271
"867518"	352.059371	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-2H+NH4"	16.019271
"44777"	693.054866	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M-2H+Na"	20.974666
"482633"	1029.094966	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M-2H+Na"	20.974666
"857156"	357.014766	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-2H+Na"	20.974666
"1630700"	357.014766	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Na-2H"	20.974666
"106507"	353.021163	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M-H+Cl"	33.962126
"546067"	521.041213	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M-H+Cl"	33.962126
"942140"	185.001113	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-H+Cl"	33.962126
"278141"	707.049602	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+Cl"	34.969402
"673843"	1043.089702	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+Cl"	34.969402
"1286251"	371.009502	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Cl"	34.969402
"29899"	709.028806	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M-2H+K"	36.948606
"467276"	1045.068906	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M-2H+K"	36.948606
"846167"	372.988706	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-2H+K"	36.948606
"1569291"	372.988706	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+K-2H"	36.948606
"953167"	381.038294	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-H+HCOOH"	44.998194
"369198"	717.078401	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+HCOOH-H"	44.998201
"354172"	731.094051	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+Hac-H"	59.013851
"1493529"	395.053951	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Hac-H"	59.013851
"959976"	403.020251	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-H+NaCOOH"	66.980151
"112527"	371.009502	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+2Cl"	69.938804
"550506"	539.029552	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+2Cl"	69.938804
"1025628"	202.989452	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2Cl"	69.938804
"1242292"	414.958985	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Br"	78.918885
"1308753"	417.014972	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Cl+HCOOH"	80.974872
"1324061"	438.996929	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Cl+NaCOOH"	102.956829
"918400"	449.025686	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M-H+CF3COOH"	112.985586
"1299482"	485.002364	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Cl+CF3COOH"	148.962264
"1378739"	301.027424	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H-2H2O"	-35.012676
"1394047"	319.0374	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H-H2O"	-17.0027
"293733"	673.087476	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+H"	1.007276
"685061"	1009.127576	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+H"	1.007276
"1362505"	337.047376	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H"	1.007276
"140258"	337.047376	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+2H"	2.014552
"578238"	505.067426	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+2H"	2.014552
"1051047"	169.027326	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2H"	2.014552
"219312"	225.034009333333	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+3H"	3.021828
"659884"	337.047376	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+3H"	3.021828
"1177731"	113.020642666667	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+3H"	3.021828
"438084"	690.114023	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+NH4"	18.033823
"800787"	1026.154123	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+NH4"	18.033823
"1695779"	354.073923	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+NH4"	18.033823
"343692"	345.5606495	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+H+NH4"	19.041099
"737206"	513.5806995	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+H+NH4"	19.041099
"1491635"	177.5405995	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H+NH4"	19.041099
"406790"	695.069418	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+Na"	22.989218
"768513"	1031.109518	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+Na"	22.989218
"1617220"	359.029318	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Na"	22.989218
"329078"	348.038347	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+H+Na"	23.996494
"722678"	516.058397	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+H+Na"	23.996494
"1474709"	180.018297	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H+Na"	23.996494
"1064307"	120.347956666667	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2H+Na"	25.00377
"1272677"	369.073586	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+CH3OH+H"	33.033486
"384208"	711.043358	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+K"	38.963158
"741921"	1047.083458	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+K"	38.963158
"1549442"	375.003258	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+K"	38.963158
"304431"	356.025317	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+H+K"	39.970434
"695756"	524.045367	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+H+K"	39.970434
"1447393"	188.005267	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H+K"	39.970434
"238179"	714.114026	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+ACN+H"	42.033826
"1213076"	378.073926	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+ACN+H"	42.033826
"1199150"	189.540601	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+ACN+2H"	43.041102
"193112"	717.05136	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+2Na-H"	44.97116
"633768"	1053.09146	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+2Na-H"	44.97116
"1137272"	381.01126	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2Na-H"	44.97116
"173878"	359.029318	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+2Na"	45.978436
"617212"	527.049368	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+2Na"	45.978436
"1119259"	191.009268	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2Na"	45.978436
"1404970"	127.675270666667	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H+2Na"	46.985712
"1436358"	383.052846	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H+HCOOH"	47.012746
"230069"	364.06234	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+3H2O+2H"	56.04448
"1521417"	397.10489	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+IsoProp+H"	61.06479
"423165"	367.016288	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+Na+K"	61.952376
"781007"	535.036338	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+Na+K"	61.952376
"1676245"	198.996238	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Na+K"	61.952376
"263859"	736.095968	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+ACN+Na"	64.015768
"1228911"	400.055868	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+ACN+Na"	64.015768
"1721080"	400.079393	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+NH4+HCOOH"	64.039293
"1185341"	135.002584666667	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+3Na"	68.967654
"1654503"	405.034788	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Na+HCOOH"	68.994688
"158447"	748.99924	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+2K-H"	76.91904
"601652"	1085.03934	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+2K-H"	76.91904
"1087258"	412.95914	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2K-H"	76.91904
"144804"	375.003258	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"2M+2K"	77.926316
"590198"	543.023308	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"3M+2K"	77.926316
"1074711"	206.983208	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2K"	77.926316
"1105732"	414.973692	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2K+H"	78.933592
"1337739"	415.061307	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+DMSO+H"	79.021207
"1006271"	419.100476	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2ACN+H"	83.060376
"1530960"	420.094108	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+IsoProp+Na+H"	84.054008
"997407"	210.053876	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+2ACN+2H"	84.067652
"1594096"	421.008728	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+K+HCOOH"	84.968628
"1425226"	451.040238	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+H+CF3COOH"	115.000138
"1152236"	230.567151	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+3ACN+2H"	125.094202
"1706160"	468.066785	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+NH4+CF3COOH"	132.026685
"1638530"	473.02218	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+Na+CF3COOH"	136.98208
"1575276"	488.99612	"C08726"	"Peonidin;357-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride"	"C16H13O6Cl"	"336.0401"	"M+K+CF3COOH"	152.95602
"812204"	352.035	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M"	0
"988293"	333.01661	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-H2O-H"	-19.01839
"77263"	233.682724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M-3H"	-3.021828
"514637"	351.027724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M-3H"	-3.021828
"886970"	116.337724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-3H"	-3.021828
"5546"	351.027724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M-2H"	-2.014552
"451667"	527.045224	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M-2H"	-2.014552
"829470"	175.010224	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-2H"	-2.014552
"89457"	703.062724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M-H"	-1.007276
"530482"	1055.097724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M-H"	-1.007276
"900260"	351.027724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-H"	-1.007276
"58649"	720.089271	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M-2H+NH4"	16.019271
"498572"	1072.124271	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M-2H+NH4"	16.019271
"874555"	368.054271	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-2H+NH4"	16.019271
"38807"	725.044666	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M-2H+Na"	20.974666
"482379"	1077.079666	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M-2H+Na"	20.974666
"857265"	373.009666	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-2H+Na"	20.974666
"1624611"	373.009666	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Na-2H"	20.974666
"101140"	369.016063	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M-H+Cl"	33.962126
"543985"	545.033563	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M-H+Cl"	33.962126
"942127"	192.998563	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-H+Cl"	33.962126
"278250"	739.039402	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+Cl"	34.969402
"672859"	1091.074402	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+Cl"	34.969402
"1287823"	387.004402	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Cl"	34.969402
"28914"	741.018606	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M-2H+K"	36.948606
"467750"	1093.053606	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M-2H+K"	36.948606
"847371"	388.983606	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-2H+K"	36.948606
"1570699"	388.983606	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+K-2H"	36.948606
"955464"	397.033194	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-H+HCOOH"	44.998194
"370402"	749.068201	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+HCOOH-H"	44.998201
"356469"	763.083851	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+Hac-H"	59.013851
"1499836"	411.048851	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Hac-H"	59.013851
"964096"	419.015151	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-H+NaCOOH"	66.980151
"114097"	387.004402	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+2Cl"	69.938804
"550617"	563.021902	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+2Cl"	69.938804
"1025738"	210.986902	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2Cl"	69.938804
"1244224"	430.953885	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Br"	78.918885
"1308863"	433.009872	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Cl+HCOOH"	80.974872
"1324534"	454.991829	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Cl+NaCOOH"	102.956829
"919603"	465.020586	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M-H+CF3COOH"	112.985586
"1299592"	500.997264	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Cl+CF3COOH"	148.962264
"1379578"	317.022324	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H-2H2O"	-35.012676
"1394157"	335.0323	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H-H2O"	-17.0027
"294937"	705.077276	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+H"	1.007276
"689424"	1057.112276	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+H"	1.007276
"1364438"	353.042276	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H"	1.007276
"137694"	353.042276	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+2H"	2.014552
"580173"	529.059776	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+2H"	2.014552
"1052542"	177.024776	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2H"	2.014552
"219754"	235.697276	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+3H"	3.021828
"659236"	353.042276	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+3H"	3.021828
"1178249"	118.352276	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+3H"	3.021828
"438807"	722.103823	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+NH4"	18.033823
"801058"	1074.138823	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+NH4"	18.033823
"1696019"	370.068823	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+NH4"	18.033823
"344901"	361.5555495	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+H+NH4"	19.041099
"738296"	537.5730495	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+H+NH4"	19.041099
"1492359"	185.5380495	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H+NH4"	19.041099
"407877"	727.059218	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+Na"	22.989218
"769601"	1079.094218	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+Na"	22.989218
"1618064"	375.024218	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Na"	22.989218
"327488"	364.033247	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+H+Na"	23.996494
"719908"	540.050747	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+H+Na"	23.996494
"1472996"	188.015747	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H+Na"	23.996494
"1060772"	125.67959	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2H+Na"	25.00377
"1272621"	385.068486	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+CH3OH+H"	33.033486
"384319"	743.033158	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+K"	38.963158
"743124"	1095.068158	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+K"	38.963158
"1549551"	390.998158	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+K"	38.963158
"304539"	372.020217	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+H+K"	39.970434
"695866"	548.037717	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+H+K"	39.970434
"1448598"	196.002717	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H+K"	39.970434
"235898"	746.103826	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+ACN+H"	42.033826
"1214281"	394.068826	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+ACN+H"	42.033826
"1195978"	197.538051	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+ACN+2H"	43.041102
"191037"	749.04116	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+2Na-H"	44.97116
"633878"	1101.07616	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+2Na-H"	44.97116
"1135196"	397.00616	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2Na-H"	44.97116
"173541"	375.024218	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+2Na"	45.978436
"624613"	551.041718	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+2Na"	45.978436
"1123744"	199.006718	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2Na"	45.978436
"1403987"	133.006904	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H+2Na"	46.985712
"1437197"	399.047746	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H+HCOOH"	47.012746
"233463"	380.05724	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+3H2O+2H"	56.04448
"1523346"	413.09979	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+IsoProp+H"	61.06479
"419021"	383.011188	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+Na+K"	61.952376
"784153"	559.028688	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+Na+K"	61.952376
"1679270"	206.993688	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Na+K"	61.952376
"263970"	768.085768	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+ACN+Na"	64.015768
"1229751"	416.050768	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+ACN+Na"	64.015768
"1720097"	416.074293	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+NH4+HCOOH"	64.039293
"1182169"	140.334218	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+3Na"	68.967654
"1653884"	421.029688	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Na+HCOOH"	68.994688
"160380"	780.98904	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+2K-H"	76.91904
"601762"	1133.02404	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+2K-H"	76.91904
"1088463"	428.95404	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2K-H"	76.91904
"145279"	390.998158	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"2M+2K"	77.926316
"587028"	567.015658	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"3M+2K"	77.926316
"1072634"	214.980658	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2K"	77.926316
"1103656"	430.968592	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2K+H"	78.933592
"1336756"	431.056207	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+DMSO+H"	79.021207
"1006623"	435.095376	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2ACN+H"	83.060376
"1532162"	436.089008	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+IsoProp+Na+H"	84.054008
"996422"	218.051326	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+2ACN+2H"	84.067652
"1594206"	437.003628	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+K+HCOOH"	84.968628
"1420961"	467.035138	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+H+CF3COOH"	115.000138
"1152346"	238.564601	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+3ACN+2H"	125.094202
"1700802"	484.061685	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+NH4+CF3COOH"	132.026685
"1636088"	489.01708	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+Na+CF3COOH"	136.98208
"1576479"	504.99102	"C08727"	"Petunidin;Petunidin chloride"	"C16H13O7Cl"	"352.035"	"M+K+CF3COOH"	152.95602
"812314"	285.0399	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M"	0
"989132"	266.02151	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-H2O-H"	-19.01839
"77374"	189.019324	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M-3H"	-3.021828
"514747"	284.032624	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M-3H"	-3.021828
"888173"	94.006024	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-3H"	-3.021828
"6749"	284.032624	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M-2H"	-2.014552
"451777"	426.552574	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M-2H"	-2.014552
"829580"	141.512674	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-2H"	-2.014552
"91754"	569.072524	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M-H"	-1.007276
"531322"	854.112424	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M-H"	-1.007276
"902556"	284.032624	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-H"	-1.007276
"59851"	586.099071	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M-2H+NH4"	16.019271
"500507"	871.138971	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M-2H+NH4"	16.019271
"876123"	301.059171	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-2H+NH4"	16.019271
"42197"	591.054466	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M-2H+Na"	20.974666
"481760"	876.094366	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M-2H+Na"	20.974666
"856282"	306.014566	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-2H+Na"	20.974666
"1624721"	306.014566	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Na-2H"	20.974666
"101250"	302.020963	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M-H+Cl"	33.962126
"546646"	444.540913	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M-H+Cl"	33.962126
"931053"	159.501013	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-H+Cl"	33.962126
"267662"	605.049202	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+Cl"	34.969402
"663125"	890.089102	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+Cl"	34.969402
"1278811"	320.009302	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Cl"	34.969402
"20274"	607.028406	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M-2H+K"	36.948606
"466030"	892.068306	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M-2H+K"	36.948606
"840917"	321.988506	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-2H+K"	36.948606
"1565498"	321.988506	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+K-2H"	36.948606
"957394"	330.038094	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-H+HCOOH"	44.998194
"372332"	615.078001	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+HCOOH-H"	44.998201
"357309"	629.093651	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+Hac-H"	59.013851
"1503224"	344.053751	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Hac-H"	59.013851
"969672"	352.020051	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-H+NaCOOH"	66.980151
"119672"	320.009302	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+2Cl"	69.938804
"551582"	462.529252	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+2Cl"	69.938804
"1022324"	177.489352	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2Cl"	69.938804
"1247613"	363.958785	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Br"	78.918885
"1304226"	366.014772	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Cl+HCOOH"	80.974872
"1322092"	387.996729	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Cl+NaCOOH"	102.956829
"914245"	398.025486	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M-H+CF3COOH"	112.985586
"1289858"	434.002164	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Cl+CF3COOH"	148.962264
"1373489"	250.027224	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H-2H2O"	-35.012676
"1389891"	268.0372	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H-H2O"	-17.0027
"293954"	571.087076	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+H"	1.007276
"688564"	856.126976	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+H"	1.007276
"1366615"	286.047176	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H"	1.007276
"140725"	286.047176	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+2H"	2.014552
"580650"	428.567126	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+2H"	2.014552
"1052121"	143.527226	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2H"	2.014552
"219659"	191.033876	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+3H"	3.021828
"659749"	286.047176	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+3H"	3.021828
"1178200"	96.020576	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+3H"	3.021828
"439524"	588.113623	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+NH4"	18.033823
"799664"	873.153523	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+NH4"	18.033823
"1696370"	303.073723	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+NH4"	18.033823
"344768"	294.5604495	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+H+NH4"	19.041099
"738087"	437.0803995	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+H+NH4"	19.041099
"1491982"	152.0404995	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H+NH4"	19.041099
"407825"	593.069018	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+Na"	22.989218
"769636"	878.108918	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+Na"	22.989218
"1617893"	308.029118	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Na"	22.989218
"329390"	297.038147	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+H+Na"	23.996494
"722412"	439.558097	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+H+Na"	23.996494
"1473104"	154.518197	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H+Na"	23.996494
"1063068"	103.34789	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2H+Na"	25.00377
"1272050"	318.073386	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+CH3OH+H"	33.033486
"383335"	609.042958	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+K"	38.963158
"743233"	894.082858	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+K"	38.963158
"1549662"	324.003058	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+K"	38.963158
"306837"	305.025117	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+H+K"	39.970434
"697069"	447.545067	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+H+K"	39.970434
"1448708"	162.505167	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H+K"	39.970434
"241678"	612.113626	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+ACN+H"	42.033826
"1215481"	327.073726	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+ACN+H"	42.033826
"1198275"	164.040501	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+ACN+2H"	43.041102
"194426"	615.05096	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+2Na-H"	44.97116
"637267"	900.09086	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+2Na-H"	44.97116
"1139678"	330.01106	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2Na-H"	44.97116
"176407"	308.029118	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+2Na"	45.978436
"625452"	450.549068	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+2Na"	45.978436
"1123854"	165.509168	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2Na"	45.978436
"1405190"	110.675204	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H+2Na"	46.985712
"1436214"	332.052646	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H+HCOOH"	47.012746
"229193"	313.06214	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+3H2O+2H"	56.04448
"1521514"	346.10469	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+IsoProp+H"	61.06479
"418037"	316.016088	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+Na+K"	61.952376
"781226"	458.536038	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+Na+K"	61.952376
"1677559"	173.496138	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Na+K"	61.952376
"262987"	634.095568	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+ACN+Na"	64.015768
"1230955"	349.055668	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+ACN+Na"	64.015768
"1720571"	349.079193	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+NH4+HCOOH"	64.039293
"1183009"	118.002518	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+3Na"	68.967654
"1652901"	354.034588	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Na+HCOOH"	68.994688
"160490"	646.99884	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+2K-H"	76.91904
"600779"	932.03874	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+2K-H"	76.91904
"1088937"	361.95894	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2K-H"	76.91904
"141661"	324.003058	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"2M+2K"	77.926316
"587138"	466.523008	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"3M+2K"	77.926316
"1070557"	181.483108	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2K"	77.926316
"1100200"	363.973492	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2K+H"	78.933592
"1336501"	364.061107	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+DMSO+H"	79.021207
"1007585"	368.100276	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2ACN+H"	83.060376
"1530085"	369.093908	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+IsoProp+Na+H"	84.054008
"995439"	184.553776	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+2ACN+2H"	84.067652
"1592129"	370.008528	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+K+HCOOH"	84.968628
"1421071"	400.040038	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+H+CF3COOH"	115.000138
"1152456"	205.067051	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+3ACN+2H"	125.094202
"1703099"	417.066585	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+NH4+CF3COOH"	132.026685
"1636563"	422.02198	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+Na+CF3COOH"	136.98208
"1575496"	437.99592	"C08728"	"Riccionidin A"	"C15H9O6"	"285.0399"	"M+K+CF3COOH"	152.95602
"809143"	315.0869	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M"	0
"984867"	296.06851	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-H2O-H"	-19.01839
"74201"	209.050657333333	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M-3H"	-3.021828
"514857"	314.079624	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M-3H"	-3.021828
"892658"	104.021690666667	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-3H"	-3.021828
"9046"	314.079624	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M-2H"	-2.014552
"453711"	471.623074	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M-2H"	-2.014552
"828593"	156.536174	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-2H"	-2.014552
"91864"	629.166524	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M-H"	-1.007276
"530336"	944.253424	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M-H"	-1.007276
"907040"	314.079624	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-H"	-1.007276
"58136"	646.193071	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M-2H+NH4"	16.019271
"500614"	961.279971	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M-2H+NH4"	16.019271
"876961"	331.106171	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-2H+NH4"	16.019271
"45585"	651.148466	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M-2H+Na"	20.974666
"481871"	966.235366	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M-2H+Na"	20.974666
"854205"	336.061566	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-2H+Na"	20.974666
"1629204"	336.061566	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Na-2H"	20.974666
"103547"	332.067963	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M-H+Cl"	33.962126
"542017"	489.611413	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M-H+Cl"	33.962126
"929704"	174.524513	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-H+Cl"	33.962126
"267523"	665.143202	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+Cl"	34.969402
"663599"	980.230102	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+Cl"	34.969402
"1274178"	350.056302	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Cl"	34.969402
"21477"	667.122406	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M-2H+K"	36.948606
"463223"	982.209306	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M-2H+K"	36.948606
"843214"	352.035506	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-2H+K"	36.948606
"1569984"	352.035506	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+K-2H"	36.948606
"953130"	360.085094	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-H+HCOOH"	44.998194
"370622"	675.172001	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+HCOOH-H"	44.998201
"358148"	689.187651	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+Hac-H"	59.013851
"1503334"	374.100751	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Hac-H"	59.013851
"969782"	382.067051	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-H+NaCOOH"	66.980151
"120512"	350.056302	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+2Cl"	69.938804
"554972"	507.599752	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+2Cl"	69.938804
"1029239"	192.512852	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2Cl"	69.938804
"1246629"	394.005785	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Br"	78.918885
"1304705"	396.061772	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Cl+HCOOH"	80.974872
"1325482"	418.043729	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Cl+NaCOOH"	102.956829
"915448"	428.072486	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M-H+CF3COOH"	112.985586
"1291425"	464.049164	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Cl+CF3COOH"	148.962264
"1370319"	280.074224	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H-2H2O"	-35.012676
"1393281"	298.0842	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H-H2O"	-17.0027
"294062"	631.181076	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+H"	1.007276
"686484"	946.267976	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+H"	1.007276
"1366731"	316.094176	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H"	1.007276
"141080"	316.094176	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+2H"	2.014552
"581238"	473.637626	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+2H"	2.014552
"1052582"	158.550726	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2H"	2.014552
"219813"	211.065209333333	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+3H"	3.021828
"659781"	316.094176	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+3H"	3.021828
"1178061"	106.036242666667	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+3H"	3.021828
"439142"	648.207623	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+NH4"	18.033823
"800750"	963.294523	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+NH4"	18.033823
"1695740"	333.120723	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+NH4"	18.033823
"345114"	324.6074495	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+H+NH4"	19.041099
"738230"	482.1508995	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+H+NH4"	19.041099
"1492248"	167.0639995	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H+NH4"	19.041099
"408438"	653.163018	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+Na"	22.989218
"769785"	968.249918	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+Na"	22.989218
"1618203"	338.076118	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Na"	22.989218
"329648"	327.085147	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+H+Na"	23.996494
"722311"	484.628597	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+H+Na"	23.996494
"1474306"	169.541697	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H+Na"	23.996494
"1065364"	113.363556666667	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2H+Na"	25.00377
"1271061"	348.120386	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+CH3OH+H"	33.033486
"382349"	669.136958	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+K"	38.963158
"743343"	984.223858	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+K"	38.963158
"1546490"	354.050058	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+K"	38.963158
"302570"	335.072117	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+H+K"	39.970434
"693899"	492.615567	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+H+K"	39.970434
"1451004"	177.528667	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H+K"	39.970434
"237781"	672.207626	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+ACN+H"	42.033826
"1210610"	357.120726	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+ACN+H"	42.033826
"1200570"	179.064001	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+ACN+2H"	43.041102
"194535"	675.14496	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+2Na-H"	44.97116
"636283"	990.23186	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+2Na-H"	44.97116
"1138695"	360.05806	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2Na-H"	44.97116
"179798"	338.076118	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+2Na"	45.978436
"619730"	495.619568	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+2Na"	45.978436
"1123964"	180.532668	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2Na"	45.978436
"1404206"	120.690870666667	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H+2Na"	46.985712
"1434137"	362.099646	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H+HCOOH"	47.012746
"226023"	343.10914	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+3H2O+2H"	56.04448
"1519193"	376.15169	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+IsoProp+H"	61.06479
"417054"	346.063088	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+Na+K"	61.952376
"779148"	503.606538	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+Na+K"	61.952376
"1674385"	188.519638	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Na+K"	61.952376
"260908"	694.189568	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+ACN+Na"	64.015768
"1233253"	379.102668	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+ACN+Na"	64.015768
"1720317"	379.126193	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+NH4+HCOOH"	64.039293
"1183119"	128.018184666667	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+3Na"	68.967654
"1653011"	384.081588	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Na+HCOOH"	68.994688
"163516"	707.09284	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+2K-H"	76.91904
"604168"	1022.17974	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+2K-H"	76.91904
"1095242"	392.00594	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2K-H"	76.91904
"144405"	354.050058	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"2M+2K"	77.926316
"584331"	511.593508	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"3M+2K"	77.926316
"1071760"	196.506608	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2K"	77.926316
"1100470"	394.020492	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2K+H"	78.933592
"1337338"	394.108107	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+DMSO+H"	79.021207
"1009883"	398.147276	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2ACN+H"	83.060376
"1531288"	399.140908	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+IsoProp+Na+H"	84.054008
"995550"	199.577276	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+2ACN+2H"	84.067652
"1594426"	400.055528	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+K+HCOOH"	84.968628
"1422274"	430.087038	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+H+CF3COOH"	115.000138
"1147704"	220.090551	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+3ACN+2H"	125.094202
"1697863"	447.113585	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+NH4+CF3COOH"	132.026685
"1636673"	452.06898	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+Na+CF3COOH"	136.98208
"1575606"	468.04292	"C08729"	"Rosinidin"	"C17H15O6"	"315.0869"	"M+K+CF3COOH"	152.95602
"809253"	270.0528	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M"	0
"983884"	251.03441	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"72126"	179.027924	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"512781"	269.045524	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"887303"	89.010324	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"9158"	269.045524	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"451997"	404.071924	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"826518"	134.019124	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"91612"	539.098324	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"526075"	809.151124	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"904970"	269.045524	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"54971"	556.124871	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"497812"	826.177671	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"867959"	286.072071	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"42421"	561.080266	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"474447"	831.133066	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"849454"	291.027466	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1624945"	291.027466	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"102565"	287.033863	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"538847"	422.060263	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"936743"	152.007463	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"276393"	575.075002	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"674407"	845.127802	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1285228"	305.022202	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"30911"	577.054206	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"470268"	847.107006	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"847950"	307.001406	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1565720"	307.001406	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"953604"	315.050994	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"370732"	585.103801	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"355708"	599.119451	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1501261"	329.066651	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"966614"	337.032951	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"110780"	305.022202	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"550586"	440.048602	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1021529"	169.995802	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1241673"	348.971685	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1304402"	351.027672	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1322314"	373.009629	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"918840"	383.038386	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1292267"	419.015064	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1376990"	235.040124	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1395580"	253.0501	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"295267"	541.112876	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"688417"	811.165676	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1367004"	271.060076	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"140577"	271.060076	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"581291"	406.086476	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1051850"	136.033676	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"218905"	181.042476	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"659073"	271.060076	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1177079"	91.024876	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"439829"	558.139423	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"801066"	828.192223	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1696904"	288.086623	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"345185"	279.5733495	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"738254"	414.5997495	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1492521"	144.5469495	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"408204"	563.094818	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"769838"	833.147618	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1617054"	293.042018	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"329157"	282.051047	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"722507"	417.077447	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1476283"	147.024647	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1067869"	98.35219	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1271170"	303.086286	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"381366"	579.068758	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"741268"	849.121558	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1545506"	309.015958	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"302680"	290.038017	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"694009"	425.064417	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1450021"	155.011617	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"240809"	582.139426	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1215705"	312.086626	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1198494"	156.546951	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"195741"	585.07676	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"635299"	855.12956	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1138807"	315.02396	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"179909"	293.042018	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"617288"	428.068418	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1124074"	158.015618	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1404316"	105.679504	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1439718"	317.065546	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"226133"	298.07504	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1518573"	331.11759	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"417165"	301.028988	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"777435"	436.055388	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1675588"	166.002588	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"262111"	604.121368	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1232998"	334.068568	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1720791"	334.092093	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1183593"	113.006818	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1653121"	339.047488	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"163627"	617.02464	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"604279"	887.07744	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1095352"	346.97184	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"141963"	309.015958	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"587358"	444.042358	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1071871"	173.989558	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1100218"	348.986392	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1336477"	349.074007	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1009994"	353.113176	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1528119"	354.106808	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"992381"	177.060226	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1590165"	355.021428	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1421291"	385.052938	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1158142"	197.573501	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1709879"	402.079485	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1644437"	407.03488	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1575716"	423.00882	"C08730"	"Sulphuretin;Sulfuretin"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"814830"	256.1099	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M"	0
"983994"	237.09151	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-H2O-H"	-19.01839
"72235"	169.732657333333	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M-3H"	-3.021828
"516171"	255.102624	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M-3H"	-3.021828
"890693"	84.3626906666667	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-3H"	-3.021828
"8175"	255.102624	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M-2H"	-2.014552
"452107"	383.157574	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M-2H"	-2.014552
"829908"	127.047674	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-2H"	-2.014552
"92086"	511.212524	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M-H"	-1.007276
"528373"	767.322424	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M-H"	-1.007276
"906173"	255.102624	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-H"	-1.007276
"58362"	528.239071	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M-2H+NH4"	16.019271
"500110"	784.348971	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M-2H+NH4"	16.019271
"876817"	272.129171	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-2H+NH4"	16.019271
"44716"	533.194466	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M-2H+Na"	20.974666
"478810"	789.304366	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M-2H+Na"	20.974666
"849685"	277.084566	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-2H+Na"	20.974666
"1623962"	277.084566	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Na-2H"	20.974666
"101582"	273.090963	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M-H+Cl"	33.962126
"538957"	401.145913	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M-H+Cl"	33.962126
"927723"	145.036013	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-H+Cl"	33.962126
"278690"	547.189202	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+Cl"	34.969402
"675003"	803.299102	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+Cl"	34.969402
"1286796"	291.079302	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Cl"	34.969402
"30823"	549.168406	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M-2H+K"	36.948606
"469649"	805.278306	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M-2H+K"	36.948606
"848397"	293.058506	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-2H+K"	36.948606
"1565830"	293.058506	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+K-2H"	36.948606
"955537"	301.108094	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-H+HCOOH"	44.998194
"374125"	557.218001	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+HCOOH-H"	44.998201
"359098"	571.233651	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+Hac-H"	59.013851
"1502465"	315.123751	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Hac-H"	59.013851
"966725"	323.090051	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-H+NaCOOH"	66.980151
"111379"	291.079302	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+2Cl"	69.938804
"553006"	419.134252	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+2Cl"	69.938804
"1022411"	163.024352	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2Cl"	69.938804
"1242962"	335.028785	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Br"	78.918885
"1304299"	337.084772	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Cl+HCOOH"	80.974872
"1324611"	359.066729	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Cl+NaCOOH"	102.956829
"918950"	369.095486	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M-H+CF3COOH"	112.985586
"1294564"	405.072164	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Cl+CF3COOH"	148.962264
"1373820"	221.097224	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H-2H2O"	-35.012676
"1394597"	239.1072	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H-H2O"	-17.0027
"295377"	513.227076	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+H"	1.007276
"686705"	769.336976	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+H"	1.007276
"1366875"	257.117176	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H"	1.007276
"141057"	257.117176	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+2H"	2.014552
"581150"	385.172126	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+2H"	2.014552
"1052454"	129.062226	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2H"	2.014552
"219464"	171.747209333333	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+3H"	3.021828
"658944"	257.117176	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+3H"	3.021828
"1177801"	86.3772426666667	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+3H"	3.021828
"439329"	530.253623	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+NH4"	18.033823
"801180"	786.363523	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+NH4"	18.033823
"1696457"	274.143723	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+NH4"	18.033823
"345386"	265.6304495	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+H+NH4"	19.041099
"738292"	393.6853995	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+H+NH4"	19.041099
"1491219"	137.5754995	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H+NH4"	19.041099
"408198"	535.209018	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+Na"	22.989218
"769395"	791.318918	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+Na"	22.989218
"1618101"	279.099118	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Na"	22.989218
"329881"	268.108147	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+H+Na"	23.996494
"722411"	396.163097	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+H+Na"	23.996494
"1476556"	140.053197	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H+Na"	23.996494
"1067531"	93.7045566666666	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2H+Na"	25.00377
"1271280"	289.143386	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+CH3OH+H"	33.033486
"381476"	551.182958	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+K"	38.963158
"745752"	807.292858	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+K"	38.963158
"1551084"	295.073058	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+K"	38.963158
"307166"	276.095117	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+H+K"	39.970434
"692176"	404.150067	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+H+K"	39.970434
"1449036"	148.040167	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H+K"	39.970434
"239826"	554.253626	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+ACN+H"	42.033826
"1214722"	298.143726	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+ACN+H"	42.033826
"1198605"	149.575501	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+ACN+2H"	43.041102
"195850"	557.19096	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+2Na-H"	44.97116
"631035"	813.30086	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+2Na-H"	44.97116
"1140009"	301.08106	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2Na-H"	44.97116
"177832"	279.099118	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+2Na"	45.978436
"622866"	407.154068	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+2Na"	45.978436
"1125277"	151.044168	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2Na"	45.978436
"1406613"	101.031870666667	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H+2Na"	46.985712
"1435450"	303.122646	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H+HCOOH"	47.012746
"228428"	284.13214	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+3H2O+2H"	56.04448
"1517591"	317.17469	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+IsoProp+H"	61.06479
"418369"	287.086088	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+Na+K"	61.952376
"780094"	415.141038	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+Na+K"	61.952376
"1680438"	159.031138	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Na+K"	61.952376
"264409"	576.235568	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+ACN+Na"	64.015768
"1232378"	320.125668	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+ACN+Na"	64.015768
"1722723"	320.149193	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+NH4+HCOOH"	64.039293
"1188077"	108.359184666667	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+3Na"	68.967654
"1655053"	325.104588	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Na+HCOOH"	68.994688
"165923"	589.13884	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+2K-H"	76.91904
"604388"	845.24874	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+2K-H"	76.91904
"1089995"	333.02894	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2K-H"	76.91904
"146813"	295.073058	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"2M+2K"	77.926316
"587468"	423.128008	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"3M+2K"	77.926316
"1071981"	167.018108	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2K"	77.926316
"1101300"	335.043492	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2K+H"	78.933592
"1338290"	335.131107	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+DMSO+H"	79.021207
"1012291"	339.170276	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2ACN+H"	83.060376
"1529322"	340.163908	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+IsoProp+Na+H"	84.054008
"994678"	170.088776	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+2ACN+2H"	84.067652
"1597929"	341.078528	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+K+HCOOH"	84.968628
"1423588"	371.110038	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+H+CF3COOH"	115.000138
"1158981"	190.602051	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+3ACN+2H"	125.094202
"1709989"	388.136585	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+NH4+CF3COOH"	132.026685
"1647827"	393.09198	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+Na+CF3COOH"	136.98208
"1575826"	409.06592	"C08731"	"Xenognosin A"	"C16H16O3"	"256.1099"	"M+K+CF3COOH"	152.95602
"814944"	378.1831	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M"	0
"988356"	359.16471	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-H2O-H"	-19.01839
"75628"	251.114790666667	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M-3H"	-3.021828
"517256"	377.175824	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M-3H"	-3.021828
"889711"	125.053757333333	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-3H"	-3.021828
"8285"	377.175824	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M-2H"	-2.014552
"451125"	566.267374	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M-2H"	-2.014552
"827470"	188.084274	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-2H"	-2.014552
"85636"	755.358924	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M-H"	-1.007276
"528482"	1133.542024	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M-H"	-1.007276
"905189"	377.175824	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-H"	-1.007276
"53004"	772.385471	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M-2H+NH4"	16.019271
"496938"	1150.568571	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M-2H+NH4"	16.019271
"864897"	394.202371	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-2H+NH4"	16.019271
"36078"	777.340866	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M-2H+Na"	20.974666
"474546"	1155.523966	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M-2H+Na"	20.974666
"848570"	399.157766	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-2H+Na"	20.974666
"1619696"	399.157766	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Na-2H"	20.974666
"96226"	395.164163	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M-H+Cl"	33.962126
"534327"	584.255713	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M-H+Cl"	33.962126
"927667"	206.072613	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-H+Cl"	33.962126
"282451"	791.335602	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+Cl"	34.969402
"673411"	1169.518702	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+Cl"	34.969402
"1288338"	413.152502	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Cl"	34.969402
"30440"	793.314806	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M-2H+K"	36.948606
"470933"	1171.497906	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M-2H+K"	36.948606
"847558"	415.131706	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-2H+K"	36.948606
"1565940"	415.131706	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+K-2H"	36.948606
"957840"	423.181294	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-H+HCOOH"	44.998194
"375693"	801.364401	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+HCOOH-H"	44.998201
"354836"	815.380051	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+Hac-H"	59.013851
"1502574"	437.196951	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Hac-H"	59.013851
"967928"	445.163251	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-H+NaCOOH"	66.980151
"113555"	413.152502	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+2Cl"	69.938804
"550927"	602.244052	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+2Cl"	69.938804
"1022158"	224.060952	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2Cl"	69.938804
"1248055"	457.101985	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Br"	78.918885
"1309412"	459.157972	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Cl+HCOOH"	80.974872
"1326908"	481.139929	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Cl+NaCOOH"	102.956829
"920154"	491.168686	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M-H+CF3COOH"	112.985586
"1301235"	527.145364	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Cl+CF3COOH"	148.962264
"1379398"	343.170424	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H-2H2O"	-35.012676
"1396893"	361.1804	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H-H2O"	-17.0027
"297919"	757.373476	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+H"	1.007276
"689730"	1135.556576	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+H"	1.007276
"1366861"	379.190376	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H"	1.007276
"141356"	379.190376	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+2H"	2.014552
"580598"	568.281926	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+2H"	2.014552
"1052434"	190.098826	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2H"	2.014552
"219610"	253.129342666667	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+3H"	3.021828
"659168"	379.190376	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+3H"	3.021828
"1178151"	127.068309333333	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+3H"	3.021828
"439601"	774.400023	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+NH4"	18.033823
"800961"	1152.583123	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+NH4"	18.033823
"1696730"	396.216923	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+NH4"	18.033823
"345293"	387.7036495	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+H+NH4"	19.041099
"738476"	576.7951995	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+H+NH4"	19.041099
"1492700"	198.6120995	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H+NH4"	19.041099
"408388"	779.355418	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+Na"	22.989218
"769832"	1157.538518	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+Na"	22.989218
"1618409"	401.172318	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Na"	22.989218
"329010"	390.181347	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+H+Na"	23.996494
"721791"	579.272897	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+H+Na"	23.996494
"1476506"	201.089797	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H+Na"	23.996494
"1064600"	134.395623333333	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2H+Na"	25.00377
"1271024"	411.216586	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+CH3OH+H"	33.033486
"381590"	795.329358	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+K"	38.963158
"742584"	1173.512458	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+K"	38.963158
"1546821"	417.146258	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+K"	38.963158
"301810"	398.168317	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+H+K"	39.970434
"694231"	587.259867	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+H+K"	39.970434
"1448418"	209.076767	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H+K"	39.970434
"239208"	798.400026	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+ACN+H"	42.033826
"1217021"	420.216926	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+ACN+H"	42.033826
"1200904"	210.612101	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+ACN+2H"	43.041102
"193047"	801.33736	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+2Na-H"	44.97116
"640993"	1179.52046	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+2Na-H"	44.97116
"1137935"	423.15426	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2Na-H"	44.97116
"179401"	401.172318	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+2Na"	45.978436
"619696"	590.263868	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+2Na"	45.978436
"1124294"	212.080768	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2Na"	45.978436
"1404536"	141.722937333333	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H+2Na"	46.985712
"1442488"	425.195846	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H+HCOOH"	47.012746
"229635"	406.20534	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+3H2O+2H"	56.04448
"1517700"	439.24789	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+IsoProp+H"	61.06479
"417385"	409.159288	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+Na+K"	61.952376
"781665"	598.250838	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+Na+K"	61.952376
"1680914"	220.067738	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Na+K"	61.952376
"264156"	820.381968	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+ACN+Na"	64.015768
"1232855"	442.198868	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+ACN+Na"	64.015768
"1720649"	442.222393	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+NH4+HCOOH"	64.039293
"1187095"	149.050251333333	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+3Na"	68.967654
"1656258"	447.177788	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Na+HCOOH"	68.994688
"163847"	833.28524	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+2K-H"	76.91904
"608148"	1211.46834	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+2K-H"	76.91904
"1094483"	455.10214	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2K-H"	76.91904
"146926"	417.146258	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"2M+2K"	77.926316
"587579"	606.237808	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"3M+2K"	77.926316
"1073184"	228.054708	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2K"	77.926316
"1100680"	457.116692	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2K+H"	78.933592
"1336455"	457.204307	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+DMSO+H"	79.021207
"1011307"	461.243476	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2ACN+H"	83.060376
"1526153"	462.237108	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+IsoProp+Na+H"	84.054008
"994788"	231.125376	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+2ACN+2H"	84.067652
"1598040"	463.151728	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+K+HCOOH"	84.968628
"1426980"	493.183238	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+H+CF3COOH"	115.000138
"1156175"	251.638651	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+3ACN+2H"	125.094202
"1710100"	510.209785	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+NH4+CF3COOH"	132.026685
"1641377"	515.16518	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+Na+CF3COOH"	136.98208
"1575936"	531.13912	"C08732"	"Albafuran A;4-((2E)-37-Dimethyl-26-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-13-benzenediol"	"C24H26O4"	"378.1831"	"M+K+CF3COOH"	152.95602
"812863"	127.0494	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M"	0
"985307"	108.03101	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-H2O-H"	-19.01839
"74642"	83.692324	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M-3H"	-3.021828
"516393"	126.042124	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M-3H"	-3.021828
"889821"	41.342524	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-3H"	-3.021828
"10581"	126.042124	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M-2H"	-2.014552
"447955"	189.566824	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M-2H"	-2.014552
"827943"	62.517424	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-2H"	-2.014552
"85746"	253.091524	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M-H"	-1.007276
"528228"	380.140924	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M-H"	-1.007276
"905299"	126.042124	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-H"	-1.007276
"52021"	270.118071	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M-2H+NH4"	16.019271
"494861"	397.167471	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M-2H+NH4"	16.019271
"870474"	143.068671	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-2H+NH4"	16.019271
"37282"	275.073466	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M-2H+Na"	20.974666
"476840"	402.122866	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M-2H+Na"	20.974666
"850273"	148.024066	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-2H+Na"	20.974666
"1620170"	148.024066	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Na-2H"	20.974666
"97429"	144.030463	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M-H+Cl"	33.962126
"535533"	207.555163	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M-H+Cl"	33.962126
"927100"	80.505763	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-H+Cl"	33.962126
"270157"	289.068202	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+Cl"	34.969402
"659987"	416.117602	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+Cl"	34.969402
"1287508"	162.018802	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Cl"	34.969402
"29578"	291.047406	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M-2H+K"	36.948606
"470473"	418.096806	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M-2H+K"	36.948606
"846575"	163.998006	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-2H+K"	36.948606
"1564957"	163.998006	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+K-2H"	36.948606
"957099"	172.047594	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-H+HCOOH"	44.998194
"375439"	299.097001	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+HCOOH-H"	44.998201
"358225"	313.112651	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+Hac-H"	59.013851
"1501591"	186.063251	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Hac-H"	59.013851
"966945"	194.029551	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-H+NaCOOH"	66.980151
"112572"	162.018802	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+2Cl"	69.938804
"550349"	225.543502	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+2Cl"	69.938804
"1022026"	98.494102	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2Cl"	69.938804
"1244884"	205.968285	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Br"	78.918885
"1309522"	208.024272	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Cl+HCOOH"	80.974872
"1322645"	230.006229	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Cl+NaCOOH"	102.956829
"920264"	240.034986	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M-H+CF3COOH"	112.985586
"1301345"	276.011664	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Cl+CF3COOH"	148.962264
"1377321"	92.036724	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H-2H2O"	-35.012676
"1392630"	110.0467	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H-H2O"	-17.0027
"296692"	255.106076	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+H"	1.007276
"688018"	382.155476	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+H"	1.007276
"1366805"	128.056676	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H"	1.007276
"141028"	128.056676	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+2H"	2.014552
"581196"	191.581376	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+2H"	2.014552
"1051815"	64.531976	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2H"	2.014552
"219354"	85.706876	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+3H"	3.021828
"658914"	128.056676	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+3H"	3.021828
"1177040"	43.357076	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+3H"	3.021828
"438125"	272.132623	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+NH4"	18.033823
"799850"	399.182023	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+NH4"	18.033823
"1696635"	145.083223	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+NH4"	18.033823
"345198"	136.5699495	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+H+NH4"	19.041099
"738439"	200.0946495	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+H+NH4"	19.041099
"1492045"	73.0452495	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H+NH4"	19.041099
"407926"	277.088018	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+Na"	22.989218
"768803"	404.137418	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+Na"	22.989218
"1617750"	150.038618	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Na"	22.989218
"328878"	139.047647	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+H+Na"	23.996494
"721787"	202.572347	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+H+Na"	23.996494
"1474751"	75.522947	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H+Na"	23.996494
"1066901"	50.68439	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2H+Na"	25.00377
"1270769"	160.082886	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+CH3OH+H"	33.033486
"380604"	293.061958	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+K"	38.963158
"743787"	420.111358	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+K"	38.963158
"1541465"	166.012558	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+K"	38.963158
"299002"	147.034617	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+H+K"	39.970434
"691708"	210.559317	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+H+K"	39.970434
"1446463"	83.509917	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H+K"	39.970434
"237496"	296.132626	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+ACN+H"	42.033826
"1217131"	169.083226	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+ACN+H"	42.033826
"1201014"	85.045251	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+ACN+2H"	43.041102
"193885"	299.06996	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+2Na-H"	44.97116
"633448"	426.11936	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+2Na-H"	44.97116
"1133671"	172.02056	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2Na-H"	44.97116
"174044"	150.038618	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+2Na"	45.978436
"619806"	213.563318	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+2Na"	45.978436
"1120395"	86.513918	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2Na"	45.978436
"1402461"	58.011704	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H+2Na"	46.985712
"1442233"	174.062146	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H+HCOOH"	47.012746
"227555"	155.07164	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+3H2O+2H"	56.04448
"1518897"	188.11419	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+IsoProp+H"	61.06479
"421862"	158.025588	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+Na+K"	61.952376
"780682"	221.550288	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+Na+K"	61.952376
"1678107"	94.500888	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Na+K"	61.952376
"263172"	318.114568	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+ACN+Na"	64.015768
"1231871"	191.065168	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+ACN+Na"	64.015768
"1720756"	191.088693	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+NH4+HCOOH"	64.039293
"1181371"	65.339018	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+3Na"	68.967654
"1651263"	196.044088	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Na+HCOOH"	68.994688
"161040"	331.01784	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+2K-H"	76.91904
"604608"	458.06724	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+2K-H"	76.91904
"1086571"	203.96844	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2K-H"	76.91904
"143752"	166.012558	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"2M+2K"	77.926316
"584406"	229.537258	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"3M+2K"	77.926316
"1073292"	102.487858	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2K"	77.926316
"1105409"	205.982992	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2K+H"	78.933592
"1335617"	206.070607	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+DMSO+H"	79.021207
"1009230"	210.109776	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2ACN+H"	83.060376
"1527358"	211.103408	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+IsoProp+Na+H"	84.054008
"999274"	105.558526	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+2ACN+2H"	84.067652
"1597057"	212.018028	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+K+HCOOH"	84.968628
"1427090"	242.049538	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+H+CF3COOH"	115.000138
"1156285"	126.071801	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+3ACN+2H"	125.094202
"1710210"	259.076085	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+NH4+CF3COOH"	132.026685
"1641487"	264.03148	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+Na+CF3COOH"	136.98208
"1576046"	280.00542	"C08733"	"Ammeline;2-Hydroxy-46-diamino-135-triazine"	"C3H5N5O"	"127.0494"	"M+K+CF3COOH"	152.95602
"809693"	128.0334	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M"	0
"988455"	109.01501	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-H2O-H"	-19.01839
"74752"	84.348324	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M-3H"	-3.021828
"516502"	127.026124	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M-3H"	-3.021828
"892117"	41.670524	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-3H"	-3.021828
"12878"	127.026124	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M-2H"	-2.014552
"449159"	191.042824	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M-2H"	-2.014552
"829512"	63.009424	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-2H"	-2.014552
"85856"	255.059524	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M-H"	-1.007276
"529066"	383.092924	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M-H"	-1.007276
"906138"	127.026124	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-H"	-1.007276
"57594"	272.086071	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M-2H+NH4"	16.019271
"498251"	400.119471	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M-2H+NH4"	16.019271
"876417"	144.052671	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-2H+NH4"	16.019271
"41766"	277.041466	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M-2H+Na"	20.974666
"482417"	405.074866	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M-2H+Na"	20.974666
"852569"	149.008066	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-2H+Na"	20.974666
"1618984"	149.008066	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Na-2H"	20.974666
"97539"	145.014463	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M-H+Cl"	33.962126
"536736"	209.031163	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M-H+Cl"	33.962126
"927324"	80.997763	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-H+Cl"	33.962126
"269537"	291.036202	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+Cl"	34.969402
"660079"	419.069602	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+Cl"	34.969402
"1272875"	163.002802	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Cl"	34.969402
"16185"	293.015406	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M-2H+K"	36.948606
"455768"	421.048806	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M-2H+K"	36.948606
"836833"	164.982006	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-2H+K"	36.948606
"1561786"	164.982006	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+K-2H"	36.948606
"947485"	173.031594	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-H+HCOOH"	44.998194
"375912"	301.065001	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+HCOOH-H"	44.998201
"359063"	315.080651	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+Hac-H"	59.013851
"1505348"	187.047251	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Hac-H"	59.013851
"968149"	195.013551	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-H+NaCOOH"	66.980151
"115962"	163.002802	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+2Cl"	69.938804
"551875"	227.019502	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+2Cl"	69.938804
"1023229"	98.986102	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2Cl"	69.938804
"1245358"	206.952285	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Br"	78.918885
"1310725"	209.008272	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Cl+HCOOH"	80.974872
"1324941"	230.990229	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Cl+NaCOOH"	102.956829
"920374"	241.018986	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M-H+CF3COOH"	112.985586
"1301455"	276.995664	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Cl+CF3COOH"	148.962264
"1376338"	93.020724	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H-2H2O"	-35.012676
"1393833"	111.0307	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H-H2O"	-17.0027
"295709"	257.074076	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+H"	1.007276
"690193"	385.107476	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+H"	1.007276
"1365211"	129.040676	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H"	1.007276
"140649"	129.040676	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+2H"	2.014552
"580582"	193.057376	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+2H"	2.014552
"1052538"	65.023976	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2H"	2.014552
"219790"	86.362876	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+3H"	3.021828
"659394"	129.040676	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+3H"	3.021828
"1178464"	43.685076	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+3H"	3.021828
"439409"	274.100623	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+NH4"	18.033823
"801188"	402.134023	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+NH4"	18.033823
"1696828"	146.067223	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+NH4"	18.033823
"345591"	137.5539495	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+H+NH4"	19.041099
"738218"	201.5706495	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+H+NH4"	19.041099
"1492156"	73.5372495	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H+NH4"	19.041099
"407796"	279.056018	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+Na"	22.989218
"768914"	407.089418	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+Na"	22.989218
"1617739"	151.022618	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Na"	22.989218
"329558"	140.031647	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+H+Na"	23.996494
"722710"	204.048347	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+H+Na"	23.996494
"1476893"	76.014947	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H+Na"	23.996494
"1068394"	51.01239	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2H+Na"	25.00377
"1270879"	161.066886	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+CH3OH+H"	33.033486
"381078"	295.029958	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+K"	38.963158
"743897"	423.063358	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+K"	38.963158
"1542668"	166.996558	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+K"	38.963158
"303125"	148.018617	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+H+K"	39.970434
"692264"	212.035317	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+H+K"	39.970434
"1446085"	84.001917	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H+K"	39.970434
"236998"	298.100626	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+ACN+H"	42.033826
"1217241"	170.067226	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+ACN+H"	42.033826
"1201124"	85.537251	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+ACN+2H"	43.041102
"191811"	301.03796	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+2Na-H"	44.97116
"635746"	429.07136	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+2Na-H"	44.97116
"1134510"	173.00456	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2Na-H"	44.97116
"177436"	151.022618	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+2Na"	45.978436
"618823"	215.039318	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+2Na"	45.978436
"1129865"	87.005918	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2Na"	45.978436
"1409133"	58.339704	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H+2Na"	46.985712
"1442344"	175.046146	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H+HCOOH"	47.012746
"234956"	156.05564	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+3H2O+2H"	56.04448
"1522288"	189.09819	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+IsoProp+H"	61.06479
"423846"	159.009588	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+Na+K"	61.952376
"780428"	223.026288	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+Na+K"	61.952376
"1676031"	94.992888	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Na+K"	61.952376
"259273"	320.082568	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+ACN+Na"	64.015768
"1225782"	192.049168	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+ACN+Na"	64.015768
"1715398"	192.072693	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+NH4+HCOOH"	64.039293
"1179125"	65.667018	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+3Na"	68.967654
"1650640"	197.028088	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Na+HCOOH"	68.994688
"160785"	332.98584	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+2K-H"	76.91904
"599251"	461.01924	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+2K-H"	76.91904
"1086680"	204.95244	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2K-H"	76.91904
"142886"	166.996558	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"2M+2K"	77.926316
"582444"	231.013258	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"3M+2K"	77.926316
"1072308"	102.979858	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2K"	77.926316
"1102237"	206.966992	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2K+H"	78.933592
"1337888"	207.054607	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+DMSO+H"	79.021207
"1009340"	211.093776	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2ACN+H"	83.060376
"1529655"	212.087408	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+IsoProp+Na+H"	84.054008
"997198"	106.050526	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+2ACN+2H"	84.067652
"1596074"	213.002028	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+K+HCOOH"	84.968628
"1427200"	243.033538	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+H+CF3COOH"	115.000138
"1156395"	126.563801	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+3ACN+2H"	125.094202
"1709227"	260.060085	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+NH4+CF3COOH"	132.026685
"1641597"	265.01548	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+Na+CF3COOH"	136.98208
"1576156"	280.98942	"C08734"	"Ammelide;24-Dihydroxy-6-amino-135-triazine"	"C3H4N4O2"	"128.0334"	"M+K+CF3COOH"	152.95602
"817012"	145.9995	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M"	0
"989174"	126.98111	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-H2O-H"	-19.01839
"74866"	96.325724	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M-3H"	-3.021828
"517706"	144.992224	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M-3H"	-3.021828
"888948"	47.659224	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-3H"	-3.021828
"4243"	144.992224	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M-2H"	-2.014552
"452550"	217.991974	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M-2H"	-2.014552
"829259"	71.992474	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-2H"	-2.014552
"83784"	290.991724	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M-H"	-1.007276
"527717"	436.991224	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M-H"	-1.007276
"905517"	144.992224	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-H"	-1.007276
"55519"	308.018271	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M-2H+NH4"	16.019271
"496173"	454.017771	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M-2H+NH4"	16.019271
"875066"	162.018771	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-2H+NH4"	16.019271
"39687"	312.973666	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M-2H+Na"	20.974666
"471670"	458.973166	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M-2H+Na"	20.974666
"852679"	166.974166	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-2H+Na"	20.974666
"1625494"	166.974166	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Na-2H"	20.974666
"105306"	162.980563	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M-H+Cl"	33.962126
"541585"	235.980313	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M-H+Cl"	33.962126
"927803"	89.980813	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-H+Cl"	33.962126
"270012"	326.968402	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+Cl"	34.969402
"662797"	472.967902	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+Cl"	34.969402
"1278482"	180.968902	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Cl"	34.969402
"21404"	328.947606	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M-2H+K"	36.948606
"461329"	474.947106	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M-2H+K"	36.948606
"841685"	182.948106	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-2H+K"	36.948606
"1565173"	182.948106	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+K-2H"	36.948606
"957204"	190.997694	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-H+HCOOH"	44.998194
"374928"	336.997201	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+HCOOH-H"	44.998201
"352979"	351.012851	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+Hac-H"	59.013851
"1498532"	205.013351	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Hac-H"	59.013851
"962792"	212.979651	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-H+NaCOOH"	66.980151
"116074"	180.968902	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+2Cl"	69.938804
"552352"	253.968652	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+2Cl"	69.938804
"1023340"	107.969152	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2Cl"	69.938804
"1244013"	224.918385	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Br"	78.918885
"1305367"	226.974372	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Cl+HCOOH"	80.974872
"1323956"	248.956329	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Cl+NaCOOH"	102.956829
"920483"	258.985086	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M-H+CF3COOH"	112.985586
"1296098"	294.961764	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Cl+CF3COOH"	148.962264
"1381432"	110.986824	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H-2H2O"	-35.012676
"1393943"	128.9968	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H-H2O"	-17.0027
"296914"	293.006276	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+H"	1.007276
"690430"	439.005776	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+H"	1.007276
"1365568"	147.006776	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H"	1.007276
"140031"	147.006776	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+2H"	2.014552
"581055"	220.006526	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+2H"	2.014552
"1051314"	74.007026	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2H"	2.014552
"219091"	98.340276	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+3H"	3.021828
"659622"	147.006776	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+3H"	3.021828
"1177506"	49.673776	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+3H"	3.021828
"439440"	310.032823	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+NH4"	18.033823
"800435"	456.032323	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+NH4"	18.033823
"1696609"	164.033323	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+NH4"	18.033823
"345502"	155.5200495	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+H+NH4"	19.041099
"738324"	228.5197995	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+H+NH4"	19.041099
"1492144"	82.5202995	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H+NH4"	19.041099
"408271"	314.988218	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+Na"	22.989218
"769144"	460.987718	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+Na"	22.989218
"1618176"	168.988718	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Na"	22.989218
"329931"	157.997747	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+H+Na"	23.996494
"722369"	230.997497	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+H+Na"	23.996494
"1476516"	84.997997	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H+Na"	23.996494
"1067120"	57.00109	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2H+Na"	25.00377
"1269895"	179.032986	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+CH3OH+H"	33.033486
"385198"	330.962158	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+K"	38.963158
"744006"	476.961658	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+K"	38.963158
"1543872"	184.962658	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+K"	38.963158
"303233"	165.984717	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+H+K"	39.970434
"693468"	238.984467	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+H+K"	39.970434
"1453855"	92.984967	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H+K"	39.970434
"237471"	334.032826	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+ACN+H"	42.033826
"1211882"	188.033326	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+ACN+H"	42.033826
"1197589"	94.520301	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+ACN+2H"	43.041102
"193011"	336.97016	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+2Na-H"	44.97116
"635850"	482.96966	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+2Na-H"	44.97116
"1136077"	190.97066	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2Na-H"	44.97116
"181559"	168.988718	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+2Na"	45.978436
"616743"	241.988468	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+2Na"	45.978436
"1122072"	95.988968	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2Na"	45.978436
"1410340"	64.328404	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H+2Na"	46.985712
"1444521"	193.012246	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H+HCOOH"	47.012746
"226682"	174.02174	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+3H2O+2H"	56.04448
"1523696"	207.06429	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+IsoProp+H"	61.06479
"418805"	176.975688	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+Na+K"	61.952376
"779809"	249.975438	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+Na+K"	61.952376
"1677234"	103.975938	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Na+K"	61.952376
"259383"	356.014768	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+ACN+Na"	64.015768
"1225931"	210.015268	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+ACN+Na"	64.015768
"1713683"	210.038793	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+NH4+HCOOH"	64.039293
"1184141"	71.655718	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+3Na"	68.967654
"1659500"	214.994188	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Na+HCOOH"	68.994688
"160531"	368.91804	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+2K-H"	76.91904
"601550"	514.91754	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+2K-H"	76.91904
"1088250"	222.91854	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2K-H"	76.91904
"150531"	184.962658	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"2M+2K"	77.926316
"590092"	257.962408	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"3M+2K"	77.926316
"1073511"	111.962908	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2K"	77.926316
"1101498"	224.933092	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2K+H"	78.933592
"1336422"	225.020707	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+DMSO+H"	79.021207
"1009454"	229.059876	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2ACN+H"	83.060376
"1528671"	230.053508	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+IsoProp+Na+H"	84.054008
"995119"	115.033576	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+2ACN+2H"	84.067652
"1592902"	230.968128	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+K+HCOOH"	84.968628
"1415768"	260.999638	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+H+CF3COOH"	115.000138
"1150673"	135.546851	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+3ACN+2H"	125.094202
"1703869"	278.026185	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+NH4+CF3COOH"	132.026685
"1638427"	282.98158	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+Na+CF3COOH"	136.98208
"1576266"	298.95552	"C08735"	"2-Chloro-4-hydroxy-6-amino-135-triazine"	"C3H3ClN4O"	"145.9995"	"M+K+CF3COOH"	152.95602
"809913"	146.9836	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M"	0
"986732"	127.96521	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-H2O-H"	-19.01839
"76069"	96.9817906666667	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M-3H"	-3.021828
"517695"	145.976324	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M-3H"	-3.021828
"890152"	47.9872573333333	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-3H"	-3.021828
"4353"	145.976324	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M-2H"	-2.014552
"453025"	219.468124	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M-2H"	-2.014552
"830462"	72.484524	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-2H"	-2.014552
"83894"	292.959924	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M-H"	-1.007276
"527827"	439.943524	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M-H"	-1.007276
"907814"	145.976324	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-H"	-1.007276
"58544"	309.986471	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M-2H+NH4"	16.019271
"496281"	456.970071	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M-2H+NH4"	16.019271
"874083"	163.002871	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-2H+NH4"	16.019271
"39797"	314.941866	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M-2H+Na"	20.974666
"472430"	461.925466	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M-2H+Na"	20.974666
"852789"	167.958266	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-2H+Na"	20.974666
"1628888"	167.958266	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Na-2H"	20.974666
"106509"	163.964663	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M-H+Cl"	33.962126
"541695"	237.456463	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M-H+Cl"	33.962126
"931565"	90.472863	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-H+Cl"	33.962126
"269392"	328.936602	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+Cl"	34.969402
"663637"	475.920202	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+Cl"	34.969402
"1278594"	181.953002	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Cl"	34.969402
"23340"	330.915806	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M-2H+K"	36.948606
"462901"	477.899406	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M-2H+K"	36.948606
"842888"	183.932206	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-2H+K"	36.948606
"1566376"	183.932206	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+K-2H"	36.948606
"957552"	191.981794	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-H+HCOOH"	44.998194
"376496"	338.965401	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+HCOOH-H"	44.998201
"355276"	352.981051	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+Hac-H"	59.013851
"1499735"	205.997451	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Hac-H"	59.013851
"963996"	213.963751	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-H+NaCOOH"	66.980151
"113996"	181.953002	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+2Cl"	69.938804
"553556"	255.444802	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+2Cl"	69.938804
"1023450"	108.461202	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2Cl"	69.938804
"1242664"	225.902485	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Br"	78.918885
"1305477"	227.958472	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Cl+HCOOH"	80.974872
"1321149"	249.940429	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Cl+NaCOOH"	102.956829
"917313"	259.969186	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M-H+CF3COOH"	112.985586
"1296208"	295.945864	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Cl+CF3COOH"	148.962264
"1381662"	111.970924	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H-2H2O"	-35.012676
"1395147"	129.9809	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H-H2O"	-17.0027
"297995"	294.974476	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+H"	1.007276
"690905"	441.958076	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+H"	1.007276
"1366717"	147.990876	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H"	1.007276
"139777"	147.990876	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+2H"	2.014552
"581286"	221.482676	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+2H"	2.014552
"1052516"	74.499076	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2H"	2.014552
"219835"	98.9963426666667	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+3H"	3.021828
"658880"	147.990876	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+3H"	3.021828
"1178345"	50.0018093333333	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+3H"	3.021828
"439795"	312.001023	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+NH4"	18.033823
"800546"	458.984623	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+NH4"	18.033823
"1696987"	165.017423	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+NH4"	18.033823
"345635"	156.5041495	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+H+NH4"	19.041099
"738464"	229.9959495	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+H+NH4"	19.041099
"1492632"	83.0123495	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H+NH4"	19.041099
"408536"	316.956418	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+Na"	22.989218
"769892"	463.940018	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+Na"	22.989218
"1618242"	169.972818	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Na"	22.989218
"328842"	158.981847	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+H+Na"	23.996494
"722789"	232.473647	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+H+Na"	23.996494
"1476741"	85.490047	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H+Na"	23.996494
"1066137"	57.3291233333333	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2H+Na"	25.00377
"1268912"	180.017086	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+CH3OH+H"	33.033486
"382031"	332.930358	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+K"	38.963158
"746303"	479.913958	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+K"	38.963158
"1542889"	185.946758	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+K"	38.963158
"303343"	166.968817	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+H+K"	39.970434
"693942"	240.460617	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+H+K"	39.970434
"1449225"	93.477017	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H+K"	39.970434
"236732"	336.001026	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+ACN+H"	42.033826
"1211627"	189.017426	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+ACN+H"	42.033826
"1197699"	95.012351	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+ACN+2H"	43.041102
"194214"	338.93836	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+2Na-H"	44.97116
"630249"	485.92196	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+2Na-H"	44.97116
"1131440"	191.95476	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2Na-H"	44.97116
"178749"	169.972818	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+2Na"	45.978436
"616853"	243.464618	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+2Na"	45.978436
"1121087"	96.481018	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2Na"	45.978436
"1410449"	64.6564373333333	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H+2Na"	46.985712
"1438190"	193.996346	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H+HCOOH"	47.012746
"223512"	175.00584	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+3H2O+2H"	56.04448
"1518134"	208.04839	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+IsoProp+H"	61.06479
"415635"	177.959788	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+Na+K"	61.952376
"781010"	251.451588	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+Na+K"	61.952376
"1678434"	104.467988	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Na+K"	61.952376
"263137"	357.982968	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+ACN+Na"	64.015768
"1228554"	210.999368	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+ACN+Na"	64.015768
"1715250"	211.022893	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+NH4+HCOOH"	64.039293
"1187531"	71.9837513333333	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+3Na"	68.967654
"1658517"	215.978288	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Na+HCOOH"	68.994688
"162100"	370.88624	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+2K-H"	76.91904
"600931"	517.86984	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+2K-H"	76.91904
"1086538"	223.90264	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2K-H"	76.91904
"147362"	185.946758	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"2M+2K"	77.926316
"592389"	259.438558	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"3M+2K"	77.926316
"1073621"	112.454958	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2K"	77.926316
"1101607"	225.917192	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2K+H"	78.933592
"1337752"	226.004807	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+DMSO+H"	79.021207
"1009565"	230.043976	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2ACN+H"	83.060376
"1527690"	231.037608	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+IsoProp+Na+H"	84.054008
"997417"	115.525626	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+2ACN+2H"	84.067652
"1595200"	231.952228	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+K+HCOOH"	84.968628
"1420860"	261.983738	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+H+CF3COOH"	115.000138
"1148596"	136.038901	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+3ACN+2H"	125.094202
"1703978"	279.010285	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+NH4+CF3COOH"	132.026685
"1638537"	283.96568	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+Na+CF3COOH"	136.98208
"1576376"	299.93962	"C08736"	"6-Chloro-135-triazine-24(1H3H)-dione;2-Chloro-46-dihydroxy-135-triazine"	"C3H2ClN3O2"	"146.9836"	"M+K+CF3COOH"	152.95602
"810023"	126.0654	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M"	0
"988666"	107.04701	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-H2O-H"	-19.01839
"75087"	83.036324	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M-3H"	-3.021828
"509181"	125.058124	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M-3H"	-3.021828
"882609"	41.014524	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-3H"	-3.021828
"14305"	125.058124	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M-2H"	-2.014552
"449492"	188.090824	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M-2H"	-2.014552
"828386"	62.025424	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-2H"	-2.014552
"87286"	251.123524	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M-H"	-1.007276
"525751"	377.188924	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M-H"	-1.007276
"908290"	125.058124	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-H"	-1.007276
"59749"	268.150071	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M-2H+NH4"	16.019271
"496391"	394.215471	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M-2H+NH4"	16.019271
"872008"	142.084671	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-2H+NH4"	16.019271
"42095"	273.105466	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M-2H+Na"	20.974666
"471453"	399.170866	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M-2H+Na"	20.974666
"851806"	147.040066	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-2H+Na"	20.974666
"1630821"	147.040066	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Na-2H"	20.974666
"107349"	143.046463	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M-H+Cl"	33.962126
"540713"	206.079163	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M-H+Cl"	33.962126
"931675"	80.013763	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-H+Cl"	33.962126
"270233"	287.100202	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+Cl"	34.969402
"664479"	413.165602	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+Cl"	34.969402
"1277610"	161.034802	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Cl"	34.969402
"24543"	289.079406	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M-2H+K"	36.948606
"464104"	415.144806	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M-2H+K"	36.948606
"842998"	163.014006	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-2H+K"	36.948606
"1559925"	163.014006	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+K-2H"	36.948606
"957667"	171.063594	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-H+HCOOH"	44.998194
"376647"	297.129001	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+HCOOH-H"	44.998201
"357574"	311.144651	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+Hac-H"	59.013851
"1498752"	185.079251	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Hac-H"	59.013851
"964107"	193.045551	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-H+NaCOOH"	66.980151
"116294"	161.034802	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+2Cl"	69.938804
"555853"	224.067502	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+2Cl"	69.938804
"1031217"	98.002102	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2Cl"	69.938804
"1249701"	204.984285	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Br"	78.918885
"1313243"	207.040272	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Cl+HCOOH"	80.974872
"1327458"	229.022229	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Cl+NaCOOH"	102.956829
"920703"	239.050986	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M-H+CF3COOH"	112.985586
"1300693"	275.027664	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Cl+CF3COOH"	148.962264
"1381043"	91.052724	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H-2H2O"	-35.012676
"1397445"	109.0627	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H-H2O"	-17.0027
"296038"	253.138076	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+H"	1.007276
"690733"	379.203476	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+H"	1.007276
"1366274"	127.072676	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H"	1.007276
"140257"	127.072676	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+2H"	2.014552
"580181"	190.105376	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+2H"	2.014552
"1051772"	64.039976	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2H"	2.014552
"219064"	85.050876	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+3H"	3.021828
"657902"	127.072676	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+3H"	3.021828
"1177237"	43.029076	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+3H"	3.021828
"438936"	270.164623	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+NH4"	18.033823
"800416"	396.230023	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+NH4"	18.033823
"1696752"	144.099223	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+NH4"	18.033823
"345662"	135.5859495	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+H+NH4"	19.041099
"737935"	198.6186495	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+H+NH4"	19.041099
"1492242"	72.5532495	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H+NH4"	19.041099
"407641"	275.120018	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+Na"	22.989218
"769122"	401.185418	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+Na"	22.989218
"1617948"	149.054618	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Na"	22.989218
"329766"	138.063647	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+H+Na"	23.996494
"721616"	201.096347	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+H+Na"	23.996494
"1475070"	75.030947	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H+Na"	23.996494
"1067343"	50.35639	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2H+Na"	25.00377
"1267929"	159.098886	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+CH3OH+H"	33.033486
"378862"	291.093958	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+K"	38.963158
"740948"	417.159358	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+K"	38.963158
"1544458"	165.028558	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+K"	38.963158
"301269"	146.050617	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+H+K"	39.970434
"692595"	209.083317	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+H+K"	39.970434
"1456265"	83.017917	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H+K"	39.970434
"247781"	294.164626	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+ACN+H"	42.033826
"1219760"	168.099226	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+ACN+H"	42.033826
"1201459"	84.553251	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+ACN+2H"	43.041102
"191774"	297.10196	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+2Na-H"	44.97116
"634249"	423.16736	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+2Na-H"	44.97116
"1135569"	171.03656	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2Na-H"	44.97116
"175578"	149.054618	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+2Na"	45.978436
"617693"	212.087318	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+2Na"	45.978436
"1121198"	86.021918	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2Na"	45.978436
"1411654"	57.683704	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H+2Na"	46.985712
"1442675"	173.078146	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H+HCOOH"	47.012746
"230183"	154.08764	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+3H2O+2H"	56.04448
"1518244"	187.13019	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+IsoProp+H"	61.06479
"417932"	157.041588	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+Na+K"	61.952376
"784040"	220.074288	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+Na+K"	61.952376
"1676364"	94.008888	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Na+K"	61.952376
"259603"	316.146568	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+ACN+Na"	64.015768
"1230488"	190.081168	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+ACN+Na"	64.015768
"1715360"	190.104693	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+NH4+HCOOH"	64.039293
"1181079"	65.011018	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+3Na"	68.967654
"1650241"	195.060088	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Na+HCOOH"	68.994688
"158928"	329.04984	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+2K-H"	76.91904
"598486"	455.11524	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+2K-H"	76.91904
"1085918"	202.98444	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2K-H"	76.91904
"144194"	165.028558	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"2M+2K"	77.926316
"582173"	228.061258	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"3M+2K"	77.926316
"1069599"	101.995858	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2K"	77.926316
"1100256"	204.998992	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2K+H"	78.933592
"1337863"	205.086607	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+DMSO+H"	79.021207
"1006756"	209.125776	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2ACN+H"	83.060376
"1525364"	210.119408	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+IsoProp+Na+H"	84.054008
"995340"	105.066526	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+2ACN+2H"	84.067652
"1593125"	211.034028	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+K+HCOOH"	84.968628
"1420971"	241.065538	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+H+CF3COOH"	115.000138
"1156726"	125.579801	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+3ACN+2H"	125.094202
"1704091"	258.092085	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+NH4+CF3COOH"	132.026685
"1645210"	263.04748	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+Na+CF3COOH"	136.98208
"1586327"	279.02142	"C08737"	"Melamine;246-Triamino-135-triazine"	"C3H6N6"	"126.0654"	"M+K+CF3COOH"	152.95602
"806853"	562.1628	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M"	0
"989624"	543.14441	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-H2O-H"	-19.01839
"75198"	373.767924	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M-3H"	-3.021828
"511478"	561.155524	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M-3H"	-3.021828
"882718"	186.380324	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-3H"	-3.021828
"14297"	561.155524	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M-2H"	-2.014552
"451790"	842.236924	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M-2H"	-2.014552
"827402"	280.074124	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-2H"	-2.014552
"84116"	1123.318324	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M-H"	-1.007276
"528049"	1685.481124	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M-H"	-1.007276
"906941"	561.155524	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-H"	-1.007276
"59130"	1140.344871	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M-2H+NH4"	16.019271
"499417"	1702.507671	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M-2H+NH4"	16.019271
"875399"	578.182071	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-2H+NH4"	16.019271
"42935"	1145.300266	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M-2H+Na"	20.974666
"475205"	1707.463066	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M-2H+Na"	20.974666
"851916"	583.137466	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-2H+Na"	20.974666
"1618480"	583.137466	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Na-2H"	20.974666
"105636"	579.143863	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M-H+Cl"	33.962126
"541916"	860.225263	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M-H+Cl"	33.962126
"929600"	298.062463	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-H+Cl"	33.962126
"269615"	1159.295002	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+Cl"	34.969402
"664226"	1721.457802	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+Cl"	34.969402
"1277723"	597.132202	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Cl"	34.969402
"24653"	1161.274206	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M-2H+K"	36.948606
"465307"	1723.437006	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M-2H+K"	36.948606
"843108"	599.111406	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-2H+K"	36.948606
"1561128"	599.111406	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+K-2H"	36.948606
"955581"	607.160994	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-H+HCOOH"	44.998194
"375381"	1169.323801	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+HCOOH-H"	44.998201
"352217"	1183.339451	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+Hac-H"	59.013851
"1496675"	621.176651	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Hac-H"	59.013851
"966404"	629.142951	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-H+NaCOOH"	66.980151
"117499"	597.132202	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+2Cl"	69.938804
"557058"	878.213602	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+2Cl"	69.938804
"1028045"	316.050802	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2Cl"	69.938804
"1247624"	641.081685	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Br"	78.918885
"1312261"	643.137672	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Cl+HCOOH"	80.974872
"1328662"	665.119629	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Cl+NaCOOH"	102.956829
"920814"	675.148386	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M-H+CF3COOH"	112.985586
"1300805"	711.125064	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Cl+CF3COOH"	148.962264
"1381885"	527.150124	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H-2H2O"	-35.012676
"1397191"	545.1601	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H-H2O"	-17.0027
"297241"	1125.332876	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+H"	1.007276
"690030"	1687.495676	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+H"	1.007276
"1366135"	563.170076	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H"	1.007276
"140486"	563.170076	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+2H"	2.014552
"579926"	844.251476	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+2H"	2.014552
"1051885"	282.088676	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2H"	2.014552
"218935"	375.782476	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+3H"	3.021828
"658734"	563.170076	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+3H"	3.021828
"1177709"	188.394876	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+3H"	3.021828
"439047"	1142.359423	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+NH4"	18.033823
"800648"	1704.522223	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+NH4"	18.033823
"1695887"	580.196623	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+NH4"	18.033823
"344897"	571.6833495	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+H+NH4"	19.041099
"737681"	852.7647495	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+H+NH4"	19.041099
"1491257"	290.6019495	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H+NH4"	19.041099
"407265"	1147.314818	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+Na"	22.989218
"768504"	1709.477618	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+Na"	22.989218
"1617209"	585.152018	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Na"	22.989218
"329429"	574.161047	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+H+Na"	23.996494
"720025"	855.242447	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+H+Na"	23.996494
"1475670"	293.079647	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H+Na"	23.996494
"1067213"	195.72219	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2H+Na"	25.00377
"1270957"	595.196286	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+CH3OH+H"	33.033486
"384439"	1163.288758	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+K"	38.963158
"741059"	1725.451558	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+K"	38.963158
"1540923"	601.125958	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+K"	38.963158
"299065"	582.148017	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+H+K"	39.970434
"693069"	863.229417	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+H+K"	39.970434
"1448350"	301.066617	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H+K"	39.970434
"235714"	1166.359426	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+ACN+H"	42.033826
"1218777"	604.196626	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+ACN+H"	42.033826
"1198289"	302.601951	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+ACN+2H"	43.041102
"193342"	1169.29676	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+2Na-H"	44.97116
"633631"	1731.45956	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+2Na-H"	44.97116
"1135679"	607.13396	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2Na-H"	44.97116
"175688"	585.152018	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+2Na"	45.978436
"617073"	866.233418	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+2Na"	45.978436
"1120943"	304.070618	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2Na"	45.978436
"1411764"	203.049504	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H+2Na"	46.985712
"1441692"	609.175546	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H+HCOOH"	47.012746
"230294"	590.18504	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+3H2O+2H"	56.04448
"1513981"	623.22759	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+IsoProp+H"	61.06479
"415856"	593.138988	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+Na+K"	61.952376
"780137"	874.220388	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+Na+K"	61.952376
"1674286"	312.057588	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Na+K"	61.952376
"258619"	1188.341368	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+ACN+Na"	64.015768
"1229137"	626.178568	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+ACN+Na"	64.015768
"1713120"	626.202093	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+NH4+HCOOH"	64.039293
"1180097"	210.376818	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+3Na"	68.967654
"1652906"	631.157488	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Na+HCOOH"	68.994688
"159768"	1201.24464	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+2K-H"	76.91904
"598964"	1763.40744	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+2K-H"	76.91904
"1085300"	639.08184	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2K-H"	76.91904
"143211"	601.125958	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"2M+2K"	77.926316
"582040"	882.207358	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"3M+2K"	77.926316
"1069224"	320.044558	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2K"	77.926316
"1100164"	641.096392	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2K+H"	78.933592
"1341254"	641.184007	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+DMSO+H"	79.021207
"1006136"	645.223176	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2ACN+H"	83.060376
"1525722"	646.216808	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+IsoProp+Na+H"	84.054008
"997638"	323.115226	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+2ACN+2H"	84.067652
"1592142"	647.131428	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+K+HCOOH"	84.968628
"1421081"	677.162938	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+H+CF3COOH"	115.000138
"1156836"	343.628501	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+3ACN+2H"	125.094202
"1704201"	694.189485	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+NH4+CF3COOH"	132.026685
"1642040"	699.14488	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+Na+CF3COOH"	136.98208
"1586437"	715.11882	"C08738"	"Albanol A;Mulberrofuran G"	"C34H26O8"	"562.1628"	"M+K+CF3COOH"	152.95602
"811337"	290.079	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M"	0
"989004"	271.06061	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"78363"	192.378724	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"518113"	289.071724	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"895347"	95.685724	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"15255"	289.071724	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"454083"	434.111224	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"830793"	144.032224	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"88600"	579.150724	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"529251"	869.229724	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"908146"	289.071724	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"58150"	596.177271	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"500621"	886.256271	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"875509"	306.098271	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"44868"	601.132666	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"479689"	891.211666	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"848691"	311.053666	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1618751"	311.053666	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"96629"	307.060063	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"547494"	452.099563	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"936636"	162.020563	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"274100"	615.127402	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"667616"	905.206402	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1284393"	325.048402	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"28043"	617.106606	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"468697"	907.185606	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"843218"	327.027606	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1562331"	327.027606	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"957726"	335.077194	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"376836"	625.156201	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"359256"	639.171851	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1506630"	349.092851	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"969433"	357.059151	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"124659"	325.048402	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"563729"	470.087902	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1032529"	180.008902	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1252109"	368.997885	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1315651"	371.053872	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1328772"	393.035829	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"924205"	403.064586	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1303103"	439.041264	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1381993"	255.066324	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1396572"	273.0763	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"298201"	581.165276	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"690994"	871.244276	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1366901"	291.086276	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H"	1.007276
"139026"	291.086276	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"579680"	436.125776	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1051395"	146.046776	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"219412"	194.393276	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"659452"	291.086276	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1178337"	97.700276	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"439874"	598.191823	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"801002"	888.270823	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1696607"	308.112823	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"345245"	299.5995495	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"738275"	444.6390495	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1492456"	154.5600495	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"408425"	603.147218	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"769584"	893.226218	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1617927"	313.068218	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"326618"	302.077247	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"719406"	447.116747	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1474320"	157.037747	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1064283"	105.02759	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1269244"	323.112486	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"385642"	619.121158	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"743357"	909.200158	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1541763"	329.042158	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+K"	38.963158
"299667"	310.064217	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"699378"	455.103717	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1446273"	165.024717	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"236697"	622.191826	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1211957"	332.112826	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1197306"	166.560051	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"192726"	625.12916	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"633741"	915.20816	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1134696"	335.05016	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"174705"	313.068218	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"616455"	458.107718	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1121056"	168.028718	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1410781"	112.354904	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1441802"	337.091746	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"223113"	318.10124	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1517372"	351.14379	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"417057"	321.055188	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"784502"	466.094688	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1673305"	176.015688	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"261648"	644.173768	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1233626"	354.094768	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1718135"	354.118293	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1183490"	119.682218	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1655570"	359.073688	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"163526"	657.07704	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"601992"	947.15604	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1090878"	366.99804	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"144414"	329.042158	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"582391"	474.081658	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1069819"	184.002658	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1100598"	369.012592	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1342457"	369.100207	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1006368"	373.139376	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1528018"	374.133008	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"996654"	187.073326	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1593345"	375.047628	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1421191"	405.079138	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1156946"	207.586601	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1705404"	422.105685	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1642150"	427.06108	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1586547"	443.03502	"C08739"	"alpha-Cotonefuran"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"807073"	304.0947	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M"	0
"989356"	285.07631	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-H2O-H"	-19.01839
"76511"	201.722524	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M-3H"	-3.021828
"511697"	303.087424	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M-3H"	-3.021828
"890592"	100.357624	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-3H"	-3.021828
"11354"	303.087424	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M-2H"	-2.014552
"448725"	455.134774	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M-2H"	-2.014552
"827621"	151.040074	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-2H"	-2.014552
"90893"	607.182124	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M-H"	-1.007276
"522801"	911.276824	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M-H"	-1.007276
"906799"	303.087424	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-H"	-1.007276
"57165"	624.208671	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M-2H+NH4"	16.019271
"495631"	928.303371	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M-2H+NH4"	16.019271
"871244"	320.113971	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-2H+NH4"	16.019271
"42062"	629.164066	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M-2H+Na"	20.974666
"476519"	933.258766	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M-2H+Na"	20.974666
"848762"	325.069366	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-2H+Na"	20.974666
"1619724"	325.069366	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Na-2H"	20.974666
"95032"	321.075763	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M-H+Cl"	33.962126
"546510"	473.123113	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M-H+Cl"	33.962126
"935650"	169.028413	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-H+Cl"	33.962126
"280529"	643.158802	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+Cl"	34.969402
"673924"	947.253502	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+Cl"	34.969402
"1288154"	339.064102	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Cl"	34.969402
"28155"	645.138006	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M-2H+K"	36.948606
"467715"	949.232706	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M-2H+K"	36.948606
"843328"	341.043306	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-2H+K"	36.948606
"1560255"	341.043306	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+K-2H"	36.948606
"954708"	349.092894	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-H+HCOOH"	44.998194
"375846"	653.187601	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+HCOOH-H"	44.998201
"360095"	667.203251	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+Hac-H"	59.013851
"1503457"	363.108551	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Hac-H"	59.013851
"969905"	371.074851	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-H+NaCOOH"	66.980151
"120998"	339.064102	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+2Cl"	69.938804
"562746"	491.111452	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+2Cl"	69.938804
"1031545"	187.016752	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2Cl"	69.938804
"1247845"	383.013585	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Br"	78.918885
"1314667"	385.069572	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Cl+HCOOH"	80.974872
"1328882"	407.051529	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Cl+NaCOOH"	102.956829
"917753"	417.080286	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M-H+CF3COOH"	112.985586
"1299929"	453.056964	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Cl+CF3COOH"	148.962264
"1381008"	269.082024	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H-2H2O"	-35.012676
"1396685"	287.092	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H-H2O"	-17.0027
"297461"	609.196676	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+H"	1.007276
"690614"	913.291376	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+H"	1.007276
"1366601"	305.101976	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H"	1.007276
"139861"	305.101976	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+2H"	2.014552
"580396"	457.149326	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+2H"	2.014552
"1051624"	153.054626	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2H"	2.014552
"219642"	203.737076	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+3H"	3.021828
"659644"	305.101976	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+3H"	3.021828
"1177940"	102.372176	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+3H"	3.021828
"439950"	626.223223	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+NH4"	18.033823
"801281"	930.317923	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+NH4"	18.033823
"1696469"	322.128523	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+NH4"	18.033823
"345556"	313.6152495	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+H+NH4"	19.041099
"737894"	465.6625995	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+H+NH4"	19.041099
"1492516"	161.5678995	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H+NH4"	19.041099
"405777"	631.178618	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+Na"	22.989218
"766773"	935.273318	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+Na"	22.989218
"1618345"	327.083918	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Na"	22.989218
"324906"	316.092947	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+H+Na"	23.996494
"720609"	468.140297	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+H+Na"	23.996494
"1474430"	164.045597	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H+Na"	23.996494
"1064393"	109.69949	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2H+Na"	25.00377
"1267167"	337.128186	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+CH3OH+H"	33.033486
"385752"	647.152558	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+K"	38.963158
"744560"	951.247258	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+K"	38.963158
"1542237"	343.057858	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+K"	38.963158
"302693"	324.079917	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+H+K"	39.970434
"696207"	476.127267	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+H+K"	39.970434
"1446747"	172.032567	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H+K"	39.970434
"240087"	650.223226	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+ACN+H"	42.033826
"1211338"	346.128526	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+ACN+H"	42.033826
"1198144"	173.567901	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+ACN+2H"	43.041102
"195752"	653.16056	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+2Na-H"	44.97116
"632758"	957.25526	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+2Na-H"	44.97116
"1134806"	349.06586	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2Na-H"	44.97116
"174936"	327.083918	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+2Na"	45.978436
"618389"	479.131268	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+2Na"	45.978436
"1120071"	175.036568	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2Na"	45.978436
"1411986"	117.026804	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H+2Na"	46.985712
"1443614"	351.107446	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H+HCOOH"	47.012746
"226139"	332.11694	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+3H2O+2H"	56.04448
"1515294"	365.15949	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+IsoProp+H"	61.06479
"418260"	335.070888	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+Na+K"	61.952376
"784610"	487.118238	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+Na+K"	61.952376
"1675601"	183.023538	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Na+K"	61.952376
"259935"	672.205168	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+ACN+Na"	64.015768
"1233736"	368.110468	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+ACN+Na"	64.015768
"1717152"	368.133993	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+NH4+HCOOH"	64.039293
"1183601"	124.354118	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+3Na"	68.967654
"1656773"	373.089388	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Na+HCOOH"	68.994688
"163636"	685.10844	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+2K-H"	76.91904
"600279"	989.20314	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+2K-H"	76.91904
"1092082"	381.01374	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2K-H"	76.91904
"146711"	343.057858	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"2M+2K"	77.926316
"585177"	495.105208	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"3M+2K"	77.926316
"1068712"	191.010508	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2K"	77.926316
"1100345"	383.028292	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2K+H"	78.933592
"1343661"	383.115907	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+DMSO+H"	79.021207
"1007450"	387.155076	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2ACN+H"	83.060376
"1525942"	388.148708	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+IsoProp+Na+H"	84.054008
"994578"	194.081176	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+2ACN+2H"	84.067652
"1592362"	389.063328	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+K+HCOOH"	84.968628
"1421301"	419.094838	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+H+CF3COOH"	115.000138
"1153776"	214.594451	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+3ACN+2H"	125.094202
"1704421"	436.121385	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+NH4+CF3COOH"	132.026685
"1645540"	441.07678	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+Na+CF3COOH"	136.98208
"1586657"	457.05072	"C08740"	"beta-Cotonefuran"	"C16H16O6"	"304.0947"	"M+K+CF3COOH"	152.95602
"810463"	200.0837	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M"	0
"983997"	181.06531	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-H2O-H"	-19.01839
"74436"	132.381857333333	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M-3H"	-3.021828
"516181"	199.076424	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M-3H"	-3.021828
"892889"	65.6872906666667	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-3H"	-3.021828
"11464"	199.076424	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M-2H"	-2.014552
"452114"	299.118274	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M-2H"	-2.014552
"828824"	99.034574	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-2H"	-2.014552
"91003"	399.160124	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M-H"	-1.007276
"521086"	599.243824	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M-H"	-1.007276
"906180"	199.076424	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-H"	-1.007276
"55087"	416.186671	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M-2H+NH4"	16.019271
"498292"	616.270371	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M-2H+NH4"	16.019271
"871355"	216.102971	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-2H+NH4"	16.019271
"40350"	421.142066	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M-2H+Na"	20.974666
"475536"	621.225766	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M-2H+Na"	20.974666
"849567"	221.058366	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-2H+Na"	20.974666
"1620198"	221.058366	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Na-2H"	20.974666
"94655"	217.064763	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M-H+Cl"	33.962126
"546620"	317.106613	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M-H+Cl"	33.962126
"935760"	117.022913	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-H+Cl"	33.962126
"280879"	435.136802	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+Cl"	34.969402
"671114"	635.220502	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+Cl"	34.969402
"1284616"	235.053102	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Cl"	34.969402
"29360"	437.116006	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M-2H+K"	36.948606
"464545"	637.199706	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M-2H+K"	36.948606
"841251"	237.032306	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-2H+K"	36.948606
"1561457"	237.032306	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+K-2H"	36.948606
"953722"	245.081894	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-H+HCOOH"	44.998194
"376880"	445.165601	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+HCOOH-H"	44.998201
"361209"	459.181251	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+Hac-H"	59.013851
"1506728"	259.097551	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Hac-H"	59.013851
"972203"	267.063851	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-H+NaCOOH"	66.980151
"124757"	235.053102	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+2Cl"	69.938804
"564558"	335.094952	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+2Cl"	69.938804
"1036398"	135.011252	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2Cl"	69.938804
"1251235"	279.002585	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Br"	78.918885
"1315870"	281.058572	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Cl+HCOOH"	80.974872
"1328992"	303.040529	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Cl+NaCOOH"	102.956829
"917863"	313.069286	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M-H+CF3COOH"	112.985586
"1300039"	349.045964	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Cl+CF3COOH"	148.962264
"1381118"	165.071024	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H-2H2O"	-35.012676
"1397889"	183.081	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H-H2O"	-17.0027
"297936"	401.174676	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+H"	1.007276
"691215"	601.258376	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+H"	1.007276
"1365986"	201.090976	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H"	1.007276
"140337"	201.090976	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+2H"	2.014552
"580748"	301.132826	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+2H"	2.014552
"1051735"	101.049126	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2H"	2.014552
"219794"	134.396409333333	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+3H"	3.021828
"658945"	201.090976	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+3H"	3.021828
"1178132"	67.7018426666667	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+3H"	3.021828
"439788"	418.201223	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+NH4"	18.033823
"801145"	618.284923	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+NH4"	18.033823
"1696215"	218.117523	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+NH4"	18.033823
"344977"	209.6042495	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+H+NH4"	19.041099
"737763"	309.6460995	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+H+NH4"	19.041099
"1492391"	109.5623995	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H+NH4"	19.041099
"406252"	423.156618	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+Na"	22.989218
"767974"	623.240318	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+Na"	22.989218
"1617163"	223.072918	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Na"	22.989218
"328295"	212.081947	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+H+Na"	23.996494
"721448"	312.123797	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+H+Na"	23.996494
"1474538"	112.040097	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H+Na"	23.996494
"1064502"	75.0291566666667	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2H+Na"	25.00377
"1267277"	233.117186	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+CH3OH+H"	33.033486
"386956"	439.130558	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+K"	38.963158
"747950"	639.214258	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+K"	38.963158
"1542347"	239.046858	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+K"	38.963158
"303167"	220.068917	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+H+K"	39.970434
"696317"	320.110767	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+H+K"	39.970434
"1446004"	120.027067	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H+K"	39.970434
"236671"	442.201226	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+ACN+H"	42.033826
"1213636"	242.117526	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+ACN+H"	42.033826
"1194720"	121.562401	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+ACN+2H"	43.041102
"196955"	445.13856	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+2Na-H"	44.97116
"632504"	645.22226	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+2Na-H"	44.97116
"1134553"	245.05486	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2Na-H"	44.97116
"175167"	223.072918	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+2Na"	45.978436
"617406"	323.114768	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+2Na"	45.978436
"1119817"	123.031068	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2Na"	45.978436
"1412096"	82.3564706666667	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H+2Na"	46.985712
"1443845"	247.096446	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H+HCOOH"	47.012746
"222969"	228.10594	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+3H2O+2H"	56.04448
"1510056"	261.14849	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+IsoProp+H"	61.06479
"413996"	231.059888	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+Na+K"	61.952376
"782656"	331.101738	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+Na+K"	61.952376
"1677534"	131.018038	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Na+K"	61.952376
"261138"	464.183168	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+ACN+Na"	64.015768
"1237127"	264.099468	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+ACN+Na"	64.015768
"1722733"	264.122993	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+NH4+HCOOH"	64.039293
"1185898"	89.6837846666667	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+3Na"	68.967654
"1655790"	269.078388	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Na+HCOOH"	68.994688
"162652"	477.08644	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+2K-H"	76.91904
"598932"	677.17014	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+2K-H"	76.91904
"1093285"	277.00274	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2K-H"	76.91904
"149008"	239.046858	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"2M+2K"	77.926316
"585287"	339.088708	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"3M+2K"	77.926316
"1069673"	139.005008	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2K"	77.926316
"1100816"	279.017292	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2K+H"	78.933592
"1350215"	279.104907	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+DMSO+H"	79.021207
"1018988"	283.144076	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2ACN+H"	83.060376
"1538570"	284.137708	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+IsoProp+Na+H"	84.054008
"999063"	142.075676	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+2ACN+2H"	84.067652
"1599033"	285.052328	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+K+HCOOH"	84.968628
"1424693"	315.083838	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+H+CF3COOH"	115.000138
"1156074"	162.588951	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+3ACN+2H"	125.094202
"1712065"	332.110385	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+NH4+CF3COOH"	132.026685
"1648930"	337.06578	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+Na+CF3COOH"	136.98208
"1586767"	353.03972	"C08741"	"Dehydrotremetone"	"C13H12O2"	"200.0837"	"M+K+CF3COOH"	152.95602
"812760"	290.079	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M"	0
"984107"	271.06061	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"75635"	192.378724	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"515195"	289.071724	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"892998"	95.685724	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"12664"	289.071724	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"446757"	434.111224	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"826750"	144.032224	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"86738"	579.150724	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"528488"	869.229724	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"903010"	289.071724	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"57019"	596.177271	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"498034"	886.256271	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"867455"	306.098271	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"38270"	601.132666	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"471797"	891.211666	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"848554"	311.053666	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1618685"	311.053666	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"94383"	307.060063	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"544544"	452.099563	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"935870"	162.020563	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"276616"	615.127402	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"671224"	905.206402	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1281439"	325.048402	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"29470"	617.106606	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"464655"	907.185606	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"840268"	327.027606	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1558288"	327.027606	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"954925"	335.077194	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"377108"	625.156201	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"361327"	639.171851	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1507691"	349.092851	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"974113"	357.059151	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"125476"	325.048402	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"564911"	470.087902	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1036467"	180.008902	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1251345"	368.997885	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1315980"	371.053872	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1329102"	393.035829	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"917973"	403.064586	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1299056"	439.041264	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1379406"	255.066324	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1398126"	273.0763	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"297681"	581.165276	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"691260"	871.244276	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1366892"	291.086276	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H"	1.007276
"140442"	291.086276	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"580009"	436.125776	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1052530"	146.046776	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"219254"	194.393276	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"659783"	291.086276	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1178410"	97.700276	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"439811"	598.191823	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"801288"	888.270823	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1696322"	308.112823	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"343992"	299.5995495	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"738074"	444.6390495	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1492625"	154.5600495	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"407820"	603.147218	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"769056"	893.226218	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1617031"	313.068218	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"328284"	302.077247	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"722651"	447.116747	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1473552"	157.037747	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1064612"	105.02759	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1267387"	323.112486	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"383787"	619.121158	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"744779"	909.200158	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1545738"	329.042158	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+K"	38.963158
"300361"	310.064217	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"693875"	455.103717	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1446235"	165.024717	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"237145"	622.191826	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1211194"	332.112826	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1195074"	166.560051	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"192326"	625.12916	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"631885"	915.20816	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1133567"	335.05016	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"176127"	313.068218	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"618609"	458.107718	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1118104"	168.028718	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1412205"	112.354904	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1441039"	337.091746	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"223807"	318.10124	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1509681"	351.14379	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"414105"	321.055188	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"785076"	466.094688	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1676550"	176.015688	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"261249"	644.173768	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1236144"	354.094768	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1722843"	354.118293	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1186008"	119.682218	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1655900"	359.073688	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"164949"	657.07704	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"600135"	947.15604	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1090115"	366.99804	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"150212"	329.042158	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"585397"	474.081658	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1069784"	184.002658	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1100926"	369.012592	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1351218"	369.100207	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1021047"	373.139376	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1537830"	374.133008	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"1003547"	187.073326	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1601330"	375.047628	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1424803"	405.079138	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1156184"	207.586601	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1711203"	422.105685	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1649040"	427.06108	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1586877"	443.03502	"C08742"	"28-Dihydroxy-347-trimethoxydibenzofuran"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"807403"	244.0736	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M"	0
"983124"	225.05521	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-H2O-H"	-19.01839
"73560"	161.708457333333	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M-3H"	-3.021828
"514212"	243.066324	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M-3H"	-3.021828
"889828"	80.3505906666667	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-3H"	-3.021828
"9494"	243.066324	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M-2H"	-2.014552
"446867"	365.103124	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M-2H"	-2.014552
"825767"	121.029524	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-2H"	-2.014552
"86848"	487.139924	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M-H"	-1.007276
"527505"	731.213524	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M-H"	-1.007276
"903119"	243.066324	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-H"	-1.007276
"56399"	504.166471	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M-2H+NH4"	16.019271
"497051"	748.240071	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M-2H+NH4"	16.019271
"866107"	260.092871	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-2H+NH4"	16.019271
"36194"	509.121866	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M-2H+Na"	20.974666
"474661"	753.195466	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M-2H+Na"	20.974666
"848610"	265.048266	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-2H+Na"	20.974666
"1619811"	265.048266	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Na-2H"	20.974666
"94549"	261.054663	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M-H+Cl"	33.962126
"541372"	383.091463	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M-H+Cl"	33.962126
"933793"	139.017863	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-H+Cl"	33.962126
"272351"	523.116602	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+Cl"	34.969402
"664774"	767.190202	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+Cl"	34.969402
"1278269"	279.043002	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Cl"	34.969402
"25205"	525.095806	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M-2H+K"	36.948606
"464765"	769.169406	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M-2H+K"	36.948606
"840378"	281.022206	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-2H+K"	36.948606
"1558398"	281.022206	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+K-2H"	36.948606
"955403"	289.071794	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-H+HCOOH"	44.998194
"376953"	533.145401	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+HCOOH-H"	44.998201
"361385"	547.161051	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+Hac-H"	59.013851
"1507558"	303.087451	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Hac-H"	59.013851
"973641"	311.053751	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-H+NaCOOH"	66.980151
"125623"	279.043002	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+2Cl"	69.938804
"564903"	401.079802	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+2Cl"	69.938804
"1036251"	157.006202	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2Cl"	69.938804
"1251455"	322.992485	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Br"	78.918885
"1316090"	325.048472	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Cl+HCOOH"	80.974872
"1329212"	347.030429	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Cl+NaCOOH"	102.956829
"918083"	357.059186	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M-H+CF3COOH"	112.985586
"1300259"	393.035864	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Cl+CF3COOH"	148.962264
"1379516"	209.060924	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H-2H2O"	-35.012676
"1398106"	227.0709	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H-H2O"	-17.0027
"297063"	489.154476	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+H"	1.007276
"691352"	733.228076	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+H"	1.007276
"1366198"	245.080876	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H"	1.007276
"139462"	245.080876	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+2H"	2.014552
"579386"	367.117676	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+2H"	2.014552
"1052191"	123.044076	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2H"	2.014552
"219921"	163.723009333333	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+3H"	3.021828
"658555"	245.080876	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+3H"	3.021828
"1177655"	82.3651426666667	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+3H"	3.021828
"438861"	506.181023	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+NH4"	18.033823
"800831"	750.254623	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+NH4"	18.033823
"1696552"	262.107423	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+NH4"	18.033823
"343738"	253.5941495	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+H+NH4"	19.041099
"738023"	375.6309495	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+H+NH4"	19.041099
"1489612"	131.5573495	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H+NH4"	19.041099
"406107"	511.136418	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+Na"	22.989218
"768072"	755.210018	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+Na"	22.989218
"1613008"	267.062818	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Na"	22.989218
"327786"	256.071847	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+H+Na"	23.996494
"716562"	378.108647	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+H+Na"	23.996494
"1470381"	134.035047	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H+Na"	23.996494
"1060346"	89.6924566666667	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2H+Na"	25.00377
"1262029"	277.107086	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+CH3OH+H"	33.033486
"382803"	527.110358	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+K"	38.963158
"744889"	771.183958	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+K"	38.963158
"1545848"	283.036758	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+K"	38.963158
"299375"	264.058817	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+H+K"	39.970434
"691550"	386.095617	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+H+K"	39.970434
"1445985"	142.022017	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H+K"	39.970434
"235870"	530.181026	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+ACN+H"	42.033826
"1213856"	286.107426	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+ACN+H"	42.033826
"1194696"	143.557351	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+ACN+2H"	43.041102
"190614"	533.11836	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+2Na-H"	44.97116
"631267"	777.19196	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+2Na-H"	44.97116
"1132221"	289.04476	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2Na-H"	44.97116
"174779"	267.062818	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+2Na"	45.978436
"618719"	389.099618	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+2Na"	45.978436
"1116754"	145.026018	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2Na"	45.978436
"1413044"	97.0197706666667	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H+2Na"	46.985712
"1442242"	291.086346	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H+HCOOH"	47.012746
"225375"	272.09584	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+3H2O+2H"	56.04448
"1511613"	305.13839	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+IsoProp+H"	61.06479
"415308"	275.049788	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+Na+K"	61.952376
"782877"	397.086588	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+Na+K"	61.952376
"1677024"	153.012988	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Na+K"	61.952376
"261360"	552.162968	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+ACN+Na"	64.015768
"1236254"	308.089368	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+ACN+Na"	64.015768
"1724045"	308.112893	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+NH4+HCOOH"	64.039293
"1187212"	104.347084666667	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+3Na"	68.967654
"1659293"	313.068288	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Na+HCOOH"	68.994688
"165059"	565.06624	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+2K-H"	76.91904
"606807"	809.13984	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+2K-H"	76.91904
"1090225"	320.99264	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2K-H"	76.91904
"150322"	283.036758	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"2M+2K"	77.926316
"584414"	405.073558	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"3M+2K"	77.926316
"1069165"	160.999958	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2K"	77.926316
"1100552"	323.007192	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2K+H"	78.933592
"1350799"	323.094807	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+DMSO+H"	79.021207
"1021260"	327.133976	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2ACN+H"	83.060376
"1539278"	328.127608	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+IsoProp+Na+H"	84.054008
"1004266"	164.070626	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+2ACN+2H"	84.067652
"1601684"	329.042228	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+K+HCOOH"	84.968628
"1424913"	359.073738	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+H+CF3COOH"	115.000138
"1157387"	184.583901	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+3ACN+2H"	125.094202
"1711313"	376.100285	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+NH4+CF3COOH"	132.026685
"1648057"	381.05568	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+Na+CF3COOH"	136.98208
"1586987"	397.02962	"C08743"	"Eriobofuran;24-Dimethoxydibenzofuran-3-ol"	"C14H12O4"	"244.0736"	"M+K+CF3COOH"	152.95602
"807513"	218.0943	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M"	0
"983234"	199.07591	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-H2O-H"	-19.01839
"75856"	144.388924	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M-3H"	-3.021828
"514322"	217.087024	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M-3H"	-3.021828
"891031"	71.690824	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-3H"	-3.021828
"9604"	217.087024	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M-2H"	-2.014552
"446977"	326.134174	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M-2H"	-2.014552
"824783"	108.039874	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-2H"	-2.014552
"86958"	435.181324	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M-H"	-1.007276
"524335"	653.275624	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M-H"	-1.007276
"904321"	217.087024	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-H"	-1.007276
"55415"	452.207871	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M-2H+NH4"	16.019271
"497890"	670.302171	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M-2H+NH4"	16.019271
"868404"	234.113571	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-2H+NH4"	16.019271
"36304"	457.163266	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M-2H+Na"	20.974666
"474771"	675.257566	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M-2H+Na"	20.974666
"848839"	239.068966	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-2H+Na"	20.974666
"1620283"	239.068966	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Na-2H"	20.974666
"94530"	235.075363	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M-H+Cl"	33.962126
"540389"	344.122513	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M-H+Cl"	33.962126
"933903"	126.028213	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-H+Cl"	33.962126
"272096"	471.158002	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+Cl"	34.969402
"662329"	689.252302	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+Cl"	34.969402
"1277647"	253.063702	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Cl"	34.969402
"18744"	473.137206	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M-2H+K"	36.948606
"459407"	691.231506	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M-2H+K"	36.948606
"837208"	255.042906	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-2H+K"	36.948606
"1557772"	255.042906	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+K-2H"	36.948606
"945301"	263.092494	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-H+HCOOH"	44.998194
"376655"	481.186801	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+HCOOH-H"	44.998201
"361350"	495.202451	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+Hac-H"	59.013851
"1507304"	277.108151	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Hac-H"	59.013851
"972170"	285.074451	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-H+NaCOOH"	66.980151
"123628"	253.063702	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+2Cl"	69.938804
"559906"	362.110852	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+2Cl"	69.938804
"1031985"	144.016552	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2Cl"	69.938804
"1251565"	297.013185	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Br"	78.918885
"1317293"	299.069172	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Cl+HCOOH"	80.974872
"1328227"	321.051129	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Cl+NaCOOH"	102.956829
"912725"	331.079886	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M-H+CF3COOH"	112.985586
"1297089"	367.056564	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Cl+CF3COOH"	148.962264
"1378532"	183.081624	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H-2H2O"	-35.012676
"1393840"	201.0916	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H-H2O"	-17.0027
"294619"	437.195876	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+H"	1.007276
"689594"	655.290176	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+H"	1.007276
"1365943"	219.101576	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H"	1.007276
"140662"	219.101576	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+2H"	2.014552
"580827"	328.148726	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+2H"	2.014552
"1051937"	110.054426	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2H"	2.014552
"218863"	146.403476	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+3H"	3.021828
"657570"	219.101576	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+3H"	3.021828
"1177521"	73.705376	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+3H"	3.021828
"439709"	454.222423	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+NH4"	18.033823
"800454"	672.316723	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+NH4"	18.033823
"1696829"	236.128123	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+NH4"	18.033823
"345186"	227.6148495	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+H+NH4"	19.041099
"737726"	336.6619995	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+H+NH4"	19.041099
"1489719"	118.5676995	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H+NH4"	19.041099
"405117"	459.177818	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+Na"	22.989218
"768302"	677.272118	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+Na"	22.989218
"1614211"	241.083518	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Na"	22.989218
"329113"	230.092547	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+H+Na"	23.996494
"716671"	339.139697	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+H+Na"	23.996494
"1467210"	121.045397	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H+Na"	23.996494
"1060455"	81.03269	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2H+Na"	25.00377
"1265419"	251.127786	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+CH3OH+H"	33.033486
"381817"	475.151758	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+K"	38.963158
"744996"	693.246058	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+K"	38.963158
"1541093"	257.057458	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+K"	38.963158
"299240"	238.079517	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+H+K"	39.970434
"691903"	347.126667	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+H+K"	39.970434
"1446213"	129.032367	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H+K"	39.970434
"236269"	478.222426	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+ACN+H"	42.033826
"1210557"	260.128126	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+ACN+H"	42.033826
"1195050"	130.567701	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+ACN+2H"	43.041102
"190720"	481.15976	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+2Na-H"	44.97116
"629304"	699.25406	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+2Na-H"	44.97116
"1133059"	263.06546	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2Na-H"	44.97116
"174157"	241.083518	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+2Na"	45.978436
"618829"	350.130668	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+2Na"	45.978436
"1119052"	132.036368	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2Na"	45.978436
"1410602"	88.360004	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H+2Na"	46.985712
"1440165"	265.107046	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H+HCOOH"	47.012746
"225485"	246.11654	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+3H2O+2H"	56.04448
"1513545"	279.15909	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+IsoProp+H"	61.06479
"413231"	249.070488	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+Na+K"	61.952376
"778611"	358.117638	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+Na+K"	61.952376
"1676404"	140.023338	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Na+K"	61.952376
"260373"	500.204368	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+ACN+Na"	64.015768
"1230893"	282.110068	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+ACN+Na"	64.015768
"1714312"	282.133593	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+NH4+HCOOH"	64.039293
"1184040"	95.687318	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+3Na"	68.967654
"1653202"	287.088988	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Na+HCOOH"	68.994688
"161888"	513.10764	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+2K-H"	76.91904
"602543"	731.20194	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+2K-H"	76.91904
"1089241"	295.01334	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2K-H"	76.91904
"144965"	257.057458	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"2M+2K"	77.926316
"581845"	366.104608	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"3M+2K"	77.926316
"1068493"	148.010308	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2K"	77.926316
"1099939"	297.027892	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2K+H"	78.933592
"1340818"	297.115507	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+DMSO+H"	79.021207
"1007039"	301.154676	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2ACN+H"	83.060376
"1527476"	302.148308	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+IsoProp+Na+H"	84.054008
"996111"	151.080976	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+2ACN+2H"	84.067652
"1591708"	303.062928	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+K+HCOOH"	84.968628
"1417731"	333.094438	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+H+CF3COOH"	115.000138
"1150936"	171.594251	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+3ACN+2H"	125.094202
"1701581"	350.120985	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+NH4+CF3COOH"	132.026685
"1642699"	355.07638	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+Na+CF3COOH"	136.98208
"1577256"	371.05032	"C08744"	"Dihydroeuparin;6-Hydroxytremetone"	"C13H14O3"	"218.0943"	"M+K+CF3COOH"	152.95602
"807623"	538.1111	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M"	0
"983344"	519.09271	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-H2O-H"	-19.01839
"75966"	357.733457333333	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M-3H"	-3.021828
"514432"	537.103824	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M-3H"	-3.021828
"890048"	178.363090666667	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-3H"	-3.021828
"10807"	537.103824	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M-2H"	-2.014552
"447087"	806.159374	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M-2H"	-2.014552
"829267"	268.048274	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-2H"	-2.014552
"89256"	1075.214924	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M-H"	-1.007276
"527726"	1613.326024	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M-H"	-1.007276
"905525"	537.103824	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-H"	-1.007276
"56622"	1092.241471	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M-2H+NH4"	16.019271
"498365"	1630.352571	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M-2H+NH4"	16.019271
"876171"	554.130371	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-2H+NH4"	16.019271
"44068"	1097.196866	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M-2H+Na"	20.974666
"485456"	1635.307966	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M-2H+Na"	20.974666
"851955"	559.085766	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-2H+Na"	20.974666
"1623676"	559.085766	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Na-2H"	20.974666
"100932"	555.092163	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M-H+Cl"	33.962126
"540499"	824.147713	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M-H+Cl"	33.962126
"934013"	286.036613	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-H+Cl"	33.962126
"275852"	1111.191602	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+Cl"	34.969402
"664992"	1649.302702	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+Cl"	34.969402
"1278124"	573.080502	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Cl"	34.969402
"18490"	1113.170806	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M-2H+K"	36.948606
"459143"	1651.281906	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M-2H+K"	36.948606
"834038"	575.059706	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-2H+K"	36.948606
"1557517"	575.059706	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+K-2H"	36.948606
"943587"	583.109294	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-H+HCOOH"	44.998194
"377023"	1121.220401	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+HCOOH-H"	44.998201
"361201"	1135.236051	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+Hac-H"	59.013851
"1501821"	597.124951	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Hac-H"	59.013851
"973009"	605.091251	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-H+NaCOOH"	66.980151
"123738"	573.080502	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+2Cl"	69.938804
"558923"	842.136052	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+2Cl"	69.938804
"1031002"	304.024952	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2Cl"	69.938804
"1248395"	617.029985	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Br"	78.918885
"1315216"	619.085972	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Cl+HCOOH"	80.974872
"1328337"	641.067929	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Cl+NaCOOH"	102.956829
"912956"	651.096686	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M-H+CF3COOH"	112.985586
"1297199"	687.073364	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Cl+CF3COOH"	148.962264
"1377548"	503.098424	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H-2H2O"	-35.012676
"1393950"	521.1084	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H-H2O"	-17.0027
"294729"	1077.229476	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+H"	1.007276
"688614"	1615.340576	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+H"	1.007276
"1361313"	539.118376	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H"	1.007276
"140042"	539.118376	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+2H"	2.014552
"579236"	808.173926	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+2H"	2.014552
"1050589"	270.062826	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2H"	2.014552
"217029"	359.748009333333	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+3H"	3.021828
"658777"	539.118376	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+3H"	3.021828
"1177266"	180.377642666667	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+3H"	3.021828
"439653"	1094.256023	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+NH4"	18.033823
"801311"	1632.367123	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+NH4"	18.033823
"1696612"	556.144923	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+NH4"	18.033823
"345539"	547.6316495	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+H+NH4"	19.041099
"737471"	816.6871995	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+H+NH4"	19.041099
"1492016"	278.5760995	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H+NH4"	19.041099
"407417"	1099.211418	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+Na"	22.989218
"768048"	1637.322518	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+Na"	22.989218
"1615416"	561.100318	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Na"	22.989218
"329588"	550.109347	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+H+Na"	23.996494
"722250"	819.164897	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+H+Na"	23.996494
"1468413"	281.053797	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H+Na"	23.996494
"1059471"	187.704956666667	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2H+Na"	25.00377
"1266623"	571.144586	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+CH3OH+H"	33.033486
"381197"	1115.185358	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+K"	38.963158
"744013"	1653.296458	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+K"	38.963158
"1546067"	577.074258	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+K"	38.963158
"301054"	558.096317	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+H+K"	39.970434
"692501"	827.151867	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+H+K"	39.970434
"1446810"	289.040767	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H+K"	39.970434
"238085"	1118.256026	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+ACN+H"	42.033826
"1213707"	580.144926	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+ACN+H"	42.033826
"1197592"	290.576101	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+ACN+2H"	43.041102
"189853"	1121.19336	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+2Na-H"	44.97116
"630144"	1659.30446	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+2Na-H"	44.97116
"1133529"	583.08226	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2Na-H"	44.97116
"174267"	561.100318	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+2Na"	45.978436
"620032"	830.155868	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+2Na"	45.978436
"1118797"	292.044768	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2Na"	45.978436
"1409254"	195.032270666667	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H+2Na"	46.985712
"1441368"	585.123846	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H+HCOOH"	47.012746
"223773"	566.13334	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+3H2O+2H"	56.04448
"1512196"	599.17589	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+IsoProp+H"	61.06479
"412250"	569.087288	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+Na+K"	61.952376
"774711"	838.142838	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+Na+K"	61.952376
"1669587"	300.031738	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Na+K"	61.952376
"255016"	1140.237968	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+ACN+Na"	64.015768
"1232098"	602.126868	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+ACN+Na"	64.015768
"1714052"	602.150393	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+NH4+HCOOH"	64.039293
"1183057"	202.359584666667	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+3Na"	68.967654
"1650761"	607.105788	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Na+HCOOH"	68.994688
"159813"	1153.14124	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+2K-H"	76.91904
"602653"	1691.25234	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+2K-H"	76.91904
"1087164"	615.03014	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2K-H"	76.91904
"145075"	577.074258	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"2M+2K"	77.926316
"581662"	846.129808	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"3M+2K"	77.926316
"1068575"	308.018708	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2K"	77.926316
"1100074"	617.044692	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2K+H"	78.933592
"1340928"	617.132307	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+DMSO+H"	79.021207
"1008367"	621.171476	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2ACN+H"	83.060376
"1527585"	622.165108	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+IsoProp+Na+H"	84.054008
"992941"	311.089376	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+2ACN+2H"	84.067652
"1592912"	623.079728	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+K+HCOOH"	84.968628
"1416748"	653.111238	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+H+CF3COOH"	115.000138
"1151046"	331.602651	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+3ACN+2H"	125.094202
"1701691"	670.137785	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+NH4+CF3COOH"	132.026685
"1642809"	675.09318	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+Na+CF3COOH"	136.98208
"1577366"	691.06712	"C08745"	"Lithospermic acid"	"C27H22O12"	"538.1111"	"M+K+CF3COOH"	152.95602
"806640"	478.2203	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M"	0
"983454"	459.20191	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-H2O-H"	-19.01839
"77169"	317.806257333333	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M-3H"	-3.021828
"512353"	477.213024	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M-3H"	-3.021828
"891249"	158.399490666667	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-3H"	-3.021828
"8730"	477.213024	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M-2H"	-2.014552
"447197"	716.323174	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M-2H"	-2.014552
"826095"	238.102874	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-2H"	-2.014552
"90460"	955.433324	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M-H"	-1.007276
"528923"	1433.653624	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M-H"	-1.007276
"906730"	477.213024	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-H"	-1.007276
"57825"	972.459871	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M-2H+NH4"	16.019271
"498475"	1450.680171	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M-2H+NH4"	16.019271
"874094"	494.239571	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-2H+NH4"	16.019271
"45271"	977.415266	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M-2H+Na"	20.974666
"486659"	1455.635566	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M-2H+Na"	20.974666
"852063"	499.194966	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-2H+Na"	20.974666
"1625607"	499.194966	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Na-2H"	20.974666
"102135"	495.201363	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M-H+Cl"	33.962126
"540609"	734.311513	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M-H+Cl"	33.962126
"934123"	256.091213	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-H+Cl"	33.962126
"275962"	991.410002	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+Cl"	34.969402
"664374"	1469.630302	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+Cl"	34.969402
"1277870"	513.189702	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Cl"	34.969402
"19328"	993.389206	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M-2H+K"	36.948606
"458525"	1471.609506	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M-2H+K"	36.948606
"834512"	515.168906	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-2H+K"	36.948606
"1555819"	515.168906	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+K-2H"	36.948606
"943331"	523.218494	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-H+HCOOH"	44.998194
"376145"	1001.438801	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+HCOOH-H"	44.998201
"360878"	1015.454451	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+Hac-H"	59.013851
"1499744"	537.234151	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Hac-H"	59.013851
"970564"	545.200451	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-H+NaCOOH"	66.980151
"122388"	513.189702	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+2Cl"	69.938804
"555752"	752.299852	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+2Cl"	69.938804
"1025645"	274.079552	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2Cl"	69.938804
"1248505"	557.139185	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Br"	78.918885
"1310952"	559.195172	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Cl+HCOOH"	80.974872
"1328447"	581.177129	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Cl+NaCOOH"	102.956829
"914038"	591.205886	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M-H+CF3COOH"	112.985586
"1297308"	627.182564	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Cl+CF3COOH"	148.962264
"1375471"	443.207624	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H-2H2O"	-35.012676
"1391873"	461.2176	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H-H2O"	-17.0027
"297393"	957.447876	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+H"	1.007276
"690179"	1435.668176	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+H"	1.007276
"1365435"	479.227576	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H"	1.007276
"140156"	479.227576	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+2H"	2.014552
"579709"	718.337726	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+2H"	2.014552
"1052521"	240.117426	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2H"	2.014552
"219959"	319.820809333333	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+3H"	3.021828
"659911"	479.227576	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+3H"	3.021828
"1178466"	160.414042666667	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+3H"	3.021828
"439930"	974.474423	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+NH4"	18.033823
"801287"	1452.694723	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+NH4"	18.033823
"1696640"	496.254123	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+NH4"	18.033823
"345676"	487.7408495	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+H+NH4"	19.041099
"738421"	726.8509995	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+H+NH4"	19.041099
"1491035"	248.6306995	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H+NH4"	19.041099
"406796"	979.429818	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+Na"	22.989218
"769779"	1457.650118	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+Na"	22.989218
"1616256"	501.209518	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Na"	22.989218
"329574"	490.218547	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+H+Na"	23.996494
"722318"	729.328697	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+H+Na"	23.996494
"1468523"	251.108397	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H+Na"	23.996494
"1060674"	167.741356666667	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2H+Na"	25.00377
"1267828"	511.253786	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+CH3OH+H"	33.033486
"384222"	995.403758	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+K"	38.963158
"745217"	1473.624058	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+K"	38.963158
"1549457"	517.183458	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+K"	38.963158
"306633"	498.205517	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+H+K"	39.970434
"697961"	737.315667	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+H+K"	39.970434
"1450689"	259.095367	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H+K"	39.970434
"239291"	998.474426	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+ACN+H"	42.033826
"1212724"	520.254126	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+ACN+H"	42.033826
"1196242"	260.630701	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+ACN+2H"	43.041102
"189478"	1001.41176	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+2Na-H"	44.97116
"630862"	1479.63206	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+2Na-H"	44.97116
"1135101"	523.19146	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2Na-H"	44.97116
"173890"	501.209518	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+2Na"	45.978436
"622330"	740.319668	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+2Na"	45.978436
"1119271"	262.099368	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2Na"	45.978436
"1410455"	175.068670666667	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H+2Na"	46.985712
"1439291"	525.233046	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H+HCOOH"	47.012746
"228986"	506.24254	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+3H2O+2H"	56.04448
"1511942"	539.28509	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+IsoProp+H"	61.06479
"414546"	509.196488	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+Na+K"	61.952376
"775914"	748.306638	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+Na+K"	61.952376
"1671153"	270.086338	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Na+K"	61.952376
"255490"	1020.456368	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+ACN+Na"	64.015768
"1229290"	542.236068	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+ACN+Na"	64.015768
"1714890"	542.259593	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+NH4+HCOOH"	64.039293
"1181344"	182.395984666667	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+3Na"	68.967654
"1651722"	547.214988	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Na+HCOOH"	68.994688
"161016"	1033.35964	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+2K-H"	76.91904
"604949"	1511.57994	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+2K-H"	76.91904
"1088367"	555.13934	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2K-H"	76.91904
"148464"	517.183458	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"2M+2K"	77.926316
"581616"	756.293608	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"3M+2K"	77.926316
"1068639"	278.073308	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2K"	77.926316
"1101490"	557.153892	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2K+H"	78.933592
"1341038"	557.241507	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+DMSO+H"	79.021207
"1006650"	561.280676	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2ACN+H"	83.060376
"1528787"	562.274308	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+IsoProp+Na+H"	84.054008
"994143"	281.143976	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+2ACN+2H"	84.067652
"1593022"	563.188928	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+K+HCOOH"	84.968628
"1416494"	593.220438	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+H+CF3COOH"	115.000138
"1148240"	301.657251	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+3ACN+2H"	125.094202
"1699613"	610.246985	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+NH4+CF3COOH"	132.026685
"1642919"	615.20238	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+Na+CF3COOH"	136.98208
"1577476"	631.17632	"C08746"	"Ailanthinone"	"C25H34O9"	"478.2203"	"M+K+CF3COOH"	152.95602
"806750"	376.1522	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M"	0
"985751"	357.13381	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-H2O-H"	-19.01839
"75093"	249.760857333333	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M-3H"	-3.021828
"511370"	375.144924	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M-3H"	-3.021828
"889173"	124.376790666667	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-3H"	-3.021828
"9934"	375.144924	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M-2H"	-2.014552
"449494"	563.221024	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M-2H"	-2.014552
"827299"	187.068824	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-2H"	-2.014552
"91663"	751.297124	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M-H"	-1.007276
"527940"	1127.449324	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M-H"	-1.007276
"909026"	375.144924	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-H"	-1.007276
"59028"	768.323671	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M-2H+NH4"	16.019271
"499678"	1144.475871	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M-2H+NH4"	16.019271
"876390"	392.171471	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-2H+NH4"	16.019271
"43192"	773.279066	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M-2H+Na"	20.974666
"485797"	1149.431266	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M-2H+Na"	20.974666
"851444"	397.126866	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-2H+Na"	20.974666
"1624624"	397.126866	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Na-2H"	20.974666
"102245"	393.133263	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M-H+Cl"	33.962126
"540719"	581.209363	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M-H+Cl"	33.962126
"934233"	205.057163	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-H+Cl"	33.962126
"276072"	787.273802	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+Cl"	34.969402
"663752"	1163.426002	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+Cl"	34.969402
"1275788"	411.121602	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Cl"	34.969402
"17982"	789.253006	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M-2H+K"	36.948606
"456814"	1165.405206	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M-2H+K"	36.948606
"833522"	413.100806	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-2H+K"	36.948606
"1556281"	413.100806	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+K-2H"	36.948606
"943564"	421.150394	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-H+HCOOH"	44.998194
"376862"	797.302601	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+HCOOH-H"	44.998201
"361193"	811.318251	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+Hac-H"	59.013851
"1507756"	435.166051	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Hac-H"	59.013851
"968487"	443.132351	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-H+NaCOOH"	66.980151
"120676"	411.121602	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+2Cl"	69.938804
"559142"	599.197702	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+2Cl"	69.938804
"1030129"	223.045502	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2Cl"	69.938804
"1246428"	455.071085	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Br"	78.918885
"1308874"	457.127072	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Cl+HCOOH"	80.974872
"1328557"	479.109029	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Cl+NaCOOH"	102.956829
"915241"	489.137786	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M-H+CF3COOH"	112.985586
"1296325"	525.114464	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Cl+CF3COOH"	148.962264
"1374487"	341.139524	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H-2H2O"	-35.012676
"1390889"	359.1495	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H-H2O"	-17.0027
"297018"	753.311676	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+H"	1.007276
"688830"	1129.463876	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+H"	1.007276
"1365181"	377.159476	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H"	1.007276
"139534"	377.159476	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+2H"	2.014552
"577995"	565.235576	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+2H"	2.014552
"1050810"	189.083376	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2H"	2.014552
"219927"	251.775409333333	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+3H"	3.021828
"659606"	377.159476	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+3H"	3.021828
"1178260"	126.391342666667	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+3H"	3.021828
"439182"	770.338223	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+NH4"	18.033823
"798841"	1146.490423	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+NH4"	18.033823
"1694071"	394.186023	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+NH4"	18.033823
"344054"	385.6727495	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+H+NH4"	19.041099
"736352"	573.7488495	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+H+NH4"	19.041099
"1490779"	197.5966495	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H+NH4"	19.041099
"405812"	775.293618	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+Na"	22.989218
"769118"	1151.445818	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+Na"	22.989218
"1615637"	399.141418	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Na"	22.989218
"329443"	388.150447	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+H+Na"	23.996494
"717001"	576.226547	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+H+Na"	23.996494
"1466447"	200.074347	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H+Na"	23.996494
"1059691"	133.718656666667	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2H+Na"	25.00377
"1270123"	409.185686	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+CH3OH+H"	33.033486
"383238"	791.267558	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+K"	38.963158
"745326"	1167.419758	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+K"	38.963158
"1550660"	415.115358	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+K"	38.963158
"307836"	396.137417	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+H+K"	39.970434
"700257"	584.213517	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+H+K"	39.970434
"1454078"	208.061317	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H+K"	39.970434
"241587"	794.338226	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+ACN+H"	42.033826
"1212471"	418.186026	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+ACN+H"	42.033826
"1196718"	209.596651	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+ACN+2H"	43.041102
"190681"	797.27556	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+2Na-H"	44.97116
"632794"	1173.42776	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+2Na-H"	44.97116
"1135212"	421.12336	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2Na-H"	44.97116
"174122"	399.141418	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+2Na"	45.978436
"624626"	587.217518	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+2Na"	45.978436
"1117923"	211.065318	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2Na"	45.978436
"1411659"	141.045970666667	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H+2Na"	46.985712
"1442680"	423.164946	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H+HCOOH"	47.012746
"230189"	404.17444	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+3H2O+2H"	56.04448
"1511688"	437.21699	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+IsoProp+H"	61.06479
"414656"	407.128388	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+Na+K"	61.952376
"776024"	595.204488	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+Na+K"	61.952376
"1670899"	219.052288	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Na+K"	61.952376
"253413"	816.320168	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+ACN+Na"	64.015768
"1231586"	440.167968	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+ACN+Na"	64.015768
"1714275"	440.191493	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+NH4+HCOOH"	64.039293
"1184371"	148.373284666667	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+3Na"	68.967654
"1654263"	445.146888	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Na+HCOOH"	68.994688
"164406"	829.22344	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+2K-H"	76.91904
"606152"	1205.37564	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+2K-H"	76.91904
"1088477"	453.07124	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2K-H"	76.91904
"145294"	415.115358	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"2M+2K"	77.926316
"581401"	603.191458	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"3M+2K"	77.926316
"1068574"	227.039258	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2K"	77.926316
"1100029"	455.085792	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2K+H"	78.933592
"1341148"	455.173407	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+DMSO+H"	79.021207
"1006761"	459.212576	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2ACN+H"	83.060376
"1527804"	460.206208	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+IsoProp+Na+H"	84.054008
"995346"	230.109926	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+2ACN+2H"	84.067652
"1595318"	461.120828	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+K+HCOOH"	84.968628
"1417697"	491.152338	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+H+CF3COOH"	115.000138
"1147986"	250.623201	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+3ACN+2H"	125.094202
"1698630"	508.178885	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+NH4+CF3COOH"	132.026685
"1643029"	513.13428	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+Na+CF3COOH"	136.98208
"1577586"	529.10822	"C08747"	"Ailanthone"	"C20H24O7"	"376.1522"	"M+K+CF3COOH"	152.95602
"807953"	720.2629	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M"	0
"985861"	701.24451	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-H2O-H"	-19.01839
"75201"	479.167990666667	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M-3H"	-3.021828
"511481"	719.255624	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M-3H"	-3.021828
"890377"	239.080357333333	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-3H"	-3.021828
"10044"	719.255624	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M-2H"	-2.014552
"448511"	1079.387074	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M-2H"	-2.014552
"828502"	359.124174	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-2H"	-2.014552
"92746"	1439.518524	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M-H"	-1.007276
"528050"	2159.781424	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M-H"	-1.007276
"908043"	719.255624	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-H"	-1.007276
"61082"	1456.545071	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M-2H+NH4"	16.019271
"498695"	2176.807971	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M-2H+NH4"	16.019271
"877591"	736.282171	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-2H+NH4"	16.019271
"43302"	1461.500466	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M-2H+Na"	20.974666
"484691"	2181.763366	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M-2H+Na"	20.974666
"850097"	741.237566	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-2H+Na"	20.974666
"1622546"	741.237566	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Na-2H"	20.974666
"101262"	737.243963	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M-H+Cl"	33.962126
"540829"	1097.375413	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M-H+Cl"	33.962126
"929238"	377.112513	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-H+Cl"	33.962126
"276182"	1475.495202	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+Cl"	34.969402
"665322"	2195.758102	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+Cl"	34.969402
"1274442"	755.232302	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Cl"	34.969402
"17365"	1477.474406	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M-2H+K"	36.948606
"455869"	2197.737306	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M-2H+K"	36.948606
"833633"	757.211506	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-2H+K"	36.948606
"1556755"	757.211506	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+K-2H"	36.948606
"947927"	765.261094	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-H+HCOOH"	44.998194
"376890"	1485.524001	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+HCOOH-H"	44.998201
"361060"	1499.539651	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+Hac-H"	59.013851
"1507827"	779.276751	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Hac-H"	59.013851
"965317"	787.243051	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-H+NaCOOH"	66.980151
"120786"	755.232302	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+2Cl"	69.938804
"560346"	1115.363752	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+2Cl"	69.938804
"1031332"	395.100852	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2Cl"	69.938804
"1245445"	799.181785	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Br"	78.918885
"1307892"	801.237772	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Cl+HCOOH"	80.974872
"1331947"	823.219729	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Cl+NaCOOH"	102.956829
"915351"	833.248486	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M-H+CF3COOH"	112.985586
"1296435"	869.225164	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Cl+CF3COOH"	148.962264
"1375688"	685.250224	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H-2H2O"	-35.012676
"1395373"	703.2602	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H-H2O"	-17.0027
"297129"	1441.533076	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+H"	1.007276
"688211"	2161.795976	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+H"	1.007276
"1364927"	721.270176	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H"	1.007276
"138550"	721.270176	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+2H"	2.014552
"578105"	1081.401626	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+2H"	2.014552
"1049093"	361.138726	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2H"	2.014552
"216632"	481.182542666667	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+3H"	3.021828
"658745"	721.270176	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+3H"	3.021828
"1178208"	241.094909333333	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+3H"	3.021828
"438685"	1458.559623	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+NH4"	18.033823
"799315"	2178.822523	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+NH4"	18.033823
"1694547"	738.296723	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+NH4"	18.033823
"344894"	729.7834495	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+H+NH4"	19.041099
"735976"	1089.9148995	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+H+NH4"	19.041099
"1486880"	369.6519995	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H+NH4"	19.041099
"405194"	1463.515018	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+Na"	22.989218
"766557"	2183.777918	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+Na"	22.989218
"1614654"	743.252118	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Na"	22.989218
"326756"	732.261147	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+H+Na"	23.996494
"717111"	1092.392597	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+H+Na"	23.996494
"1466557"	372.129697	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H+Na"	23.996494
"1057614"	248.422223333333	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2H+Na"	25.00377
"1268045"	753.296386	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+CH3OH+H"	33.033486
"379339"	1479.488958	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+K"	38.963158
"745436"	2199.751858	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+K"	38.963158
"1549677"	759.226058	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+K"	38.963158
"307946"	740.248117	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+H+K"	39.970434
"700367"	1100.379567	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+H+K"	39.970434
"1452001"	380.116667	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H+K"	39.970434
"238416"	1482.559626	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+ACN+H"	42.033826
"1213309"	762.296726	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+ACN+H"	42.033826
"1197557"	381.652001	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+ACN+2H"	43.041102
"190791"	1485.49696	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+2Na-H"	44.97116
"633268"	2205.75986	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+2Na-H"	44.97116
"1131786"	765.23406	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2Na-H"	44.97116
"174232"	743.252118	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+2Na"	45.978436
"614030"	1103.383568	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+2Na"	45.978436
"1118033"	383.120668	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2Na"	45.978436
"1411040"	255.749537333333	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H+2Na"	46.985712
"1432581"	767.275646	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H+HCOOH"	47.012746
"230299"	748.28514	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+3H2O+2H"	56.04448
"1511434"	781.32769	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+IsoProp+H"	61.06479
"412942"	751.239088	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+Na+K"	61.952376
"776863"	1111.370538	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+Na+K"	61.952376
"1670278"	391.107638	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Na+K"	61.952376
"254977"	1504.541568	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+ACN+Na"	64.015768
"1226100"	784.278668	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+ACN+Na"	64.015768
"1715111"	784.302193	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+NH4+HCOOH"	64.039293
"1181927"	263.076851333333	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+3Na"	68.967654
"1654373"	789.257588	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Na+HCOOH"	68.994688
"162329"	1517.44484	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+2K-H"	76.91904
"601888"	2237.70774	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+2K-H"	76.91904
"1091867"	797.18194	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2K-H"	76.91904
"141471"	759.226058	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"2M+2K"	77.926316
"581505"	1119.357508	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"3M+2K"	77.926316
"1068616"	399.094608	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2K"	77.926316
"1099956"	799.196492	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2K+H"	78.933592
"1340165"	799.284107	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+DMSO+H"	79.021207
"1006629"	803.323276	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2ACN+H"	83.060376
"1527914"	804.316908	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+IsoProp+Na+H"	84.054008
"995456"	402.165276	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+2ACN+2H"	84.067652
"1596521"	805.231528	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+K+HCOOH"	84.968628
"1417807"	835.263038	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+H+CF3COOH"	115.000138
"1148460"	422.678551	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+3ACN+2H"	125.094202
"1697279"	852.289585	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+NH4+CF3COOH"	132.026685
"1639858"	857.24498	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+Na+CF3COOH"	136.98208
"1577696"	873.21892	"C08748"	"Azadirachtin A;Azadirachtin"	"C35H44O16"	"720.2629"	"M+K+CF3COOH"	152.95602
"811343"	548.2258	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M"	0
"987064"	529.20741	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-H2O-H"	-19.01839
"77379"	364.476590666667	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M-3H"	-3.021828
"516695"	547.218524	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M-3H"	-3.021828
"893767"	181.734657333333	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-3H"	-3.021828
"14528"	547.218524	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M-2H"	-2.014552
"450807"	821.331424	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M-2H"	-2.014552
"829705"	273.105624	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-2H"	-2.014552
"92371"	1095.444324	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M-H"	-1.007276
"527067"	1643.670124	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M-H"	-1.007276
"910218"	547.218524	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-H"	-1.007276
"61191"	1112.470871	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M-2H+NH4"	16.019271
"499899"	1660.696671	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M-2H+NH4"	16.019271
"875512"	564.245071	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-2H+NH4"	16.019271
"41226"	1117.426266	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M-2H+Na"	20.974666
"485900"	1665.652066	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M-2H+Na"	20.974666
"850936"	569.200466	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-2H+Na"	20.974666
"1622656"	569.200466	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Na-2H"	20.974666
"102465"	565.206863	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M-H+Cl"	33.962126
"547497"	839.319763	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M-H+Cl"	33.962126
"934452"	291.093963	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-H+Cl"	33.962126
"280544"	1131.421002	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+Cl"	34.969402
"666525"	1679.646802	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+Cl"	34.969402
"1276012"	583.195202	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Cl"	34.969402
"22578"	1133.400206	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M-2H+K"	36.948606
"460316"	1681.626006	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M-2H+K"	36.948606
"834837"	585.174406	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-2H+K"	36.948606
"1558323"	585.174406	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+K-2H"	36.948606
"949130"	593.223994	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-H+HCOOH"	44.998194
"377044"	1141.449801	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+HCOOH-H"	44.998201
"361253"	1155.465451	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+Hac-H"	59.013851
"1508218"	607.239651	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Hac-H"	59.013851
"968707"	615.205951	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-H+NaCOOH"	66.980151
"120896"	583.195202	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+2Cl"	69.938804
"561549"	857.308102	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+2Cl"	69.938804
"1030348"	309.082302	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2Cl"	69.938804
"1245555"	627.144685	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Br"	78.918885
"1310189"	629.200672	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Cl+HCOOH"	80.974872
"1332057"	651.182629	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Cl+NaCOOH"	102.956829
"916554"	661.211386	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M-H+CF3COOH"	112.985586
"1295452"	697.188064	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Cl+CF3COOH"	148.962264
"1375798"	513.213124	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H-2H2O"	-35.012676
"1396576"	531.2231	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H-H2O"	-17.0027
"296995"	1097.458876	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+H"	1.007276
"689417"	1645.684676	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+H"	1.007276
"1366494"	549.233076	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H"	1.007276
"137932"	549.233076	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+2H"	2.014552
"578950"	823.345976	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+2H"	2.014552
"1047380"	275.120176	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2H"	2.014552
"217471"	366.491142666667	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+3H"	3.021828
"657027"	549.233076	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+3H"	3.021828
"1177954"	183.749209333333	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+3H"	3.021828
"439161"	1114.485423	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+NH4"	18.033823
"800155"	1662.711223	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+NH4"	18.033823
"1696003"	566.259623	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+NH4"	18.033823
"344761"	557.7463495	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+H+NH4"	19.041099
"735357"	831.8592495	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+H+NH4"	19.041099
"1490271"	283.6334495	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H+NH4"	19.041099
"400203"	1119.440818	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+Na"	22.989218
"767759"	1667.666618	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+Na"	22.989218
"1614765"	571.215018	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Na"	22.989218
"326988"	560.224047	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+H+Na"	23.996494
"721596"	834.336947	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+H+Na"	23.996494
"1467761"	286.111147	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H+Na"	23.996494
"1056630"	191.076523333333	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2H+Na"	25.00377
"1269248"	581.259286	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+CH3OH+H"	33.033486
"379813"	1135.414758	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+K"	38.963158
"742266"	1683.640558	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+K"	38.963158
"1543225"	587.188958	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+K"	38.963158
"305871"	568.211017	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+H+K"	39.970434
"695010"	842.323917	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+H+K"	39.970434
"1451018"	294.098117	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H+K"	39.970434
"237796"	1138.485426	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+ACN+H"	42.033826
"1209929"	590.259626	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+ACN+H"	42.033826
"1194749"	295.633451	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+ACN+2H"	43.041102
"188723"	1141.42276	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+2Na-H"	44.97116
"631920"	1689.64856	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+2Na-H"	44.97116
"1131649"	593.19696	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2Na-H"	44.97116
"173489"	571.215018	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+2Na"	45.978436
"613329"	845.327918	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+2Na"	45.978436
"1115645"	297.102118	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2Na"	45.978436
"1400937"	198.403837333333	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H+2Na"	46.985712
"1431956"	595.238546	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H+HCOOH"	47.012746
"220093"	576.24804	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+3H2O+2H"	56.04448
"1513002"	609.29059	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+IsoProp+H"	61.06479
"414876"	579.201988	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+Na+K"	61.952376
"778067"	853.314888	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+Na+K"	61.952376
"1666745"	305.089088	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Na+K"	61.952376
"254723"	1160.467368	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+ACN+Na"	64.015768
"1228889"	612.241568	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+ACN+Na"	64.015768
"1716320"	612.265093	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+NH4+HCOOH"	64.039293
"1182037"	205.731151333333	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+3Na"	68.967654
"1652295"	617.220488	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Na+HCOOH"	68.994688
"161346"	1173.37064	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+2K-H"	76.91904
"601998"	1721.59644	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+2K-H"	76.91904
"1086872"	625.14484	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2K-H"	76.91904
"142596"	587.188958	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"2M+2K"	77.926316
"581622"	861.301858	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"3M+2K"	77.926316
"1069582"	313.076058	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2K"	77.926316
"1100969"	627.159392	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2K+H"	78.933592
"1344649"	627.247007	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+DMSO+H"	79.021207
"1007711"	631.286176	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2ACN+H"	83.060376
"1531305"	632.279808	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+IsoProp+Na+H"	84.054008
"997753"	316.146726	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+2ACN+2H"	84.067652
"1596631"	633.194428	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+K+HCOOH"	84.968628
"1423385"	663.225938	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+H+CF3COOH"	115.000138
"1154767"	336.660001	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+3ACN+2H"	125.094202
"1702131"	680.252485	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+NH4+CF3COOH"	132.026685
"1639968"	685.20788	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+Na+CF3COOH"	136.98208
"1577806"	701.18182	"C08749"	"Bruceantin"	"C28H36O11"	"548.2258"	"M+K+CF3COOH"	152.95602
"810360"	606.2312	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M"	0
"984989"	587.21281	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-H2O-H"	-19.01839
"73229"	403.146857333333	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M-3H"	-3.021828
"516805"	605.223924	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M-3H"	-3.021828
"892783"	201.069790666667	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-3H"	-3.021828
"13545"	605.223924	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M-2H"	-2.014552
"449824"	908.339524	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M-2H"	-2.014552
"830787"	302.108324	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-2H"	-2.014552
"91750"	1211.455124	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M-H"	-1.007276
"527177"	1817.686324	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M-H"	-1.007276
"907166"	605.223924	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-H"	-1.007276
"62030"	1228.481671	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M-2H+NH4"	16.019271
"500008"	1834.712871	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M-2H+NH4"	16.019271
"874529"	622.250471	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-2H+NH4"	16.019271
"40243"	1233.437066	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M-2H+Na"	20.974666
"486937"	1839.668266	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M-2H+Na"	20.974666
"851045"	627.205866	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-2H+Na"	20.974666
"1624952"	627.205866	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Na-2H"	20.974666
"96378"	623.212263	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M-H+Cl"	33.962126
"549351"	926.327863	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M-H+Cl"	33.962126
"934562"	320.096663	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-H+Cl"	33.962126
"270568"	1247.431802	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+Cl"	34.969402
"666635"	1853.663002	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+Cl"	34.969402
"1276849"	641.200602	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Cl"	34.969402
"19406"	1249.411006	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M-2H+K"	36.948606
"458966"	1855.642206	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M-2H+K"	36.948606
"834216"	643.179806	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-2H+K"	36.948606
"1561350"	643.179806	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+K-2H"	36.948606
"948146"	651.229394	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-H+HCOOH"	44.998194
"376666"	1257.460601	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+HCOOH-H"	44.998201
"361117"	1271.476251	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+Hac-H"	59.013851
"1507480"	665.245051	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Hac-H"	59.013851
"970640"	673.211351	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-H+NaCOOH"	66.980151
"122099"	641.200602	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+2Cl"	69.938804
"565429"	944.316202	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+2Cl"	69.938804
"1029365"	338.085002	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2Cl"	69.938804
"1246758"	685.150085	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Br"	78.918885
"1314673"	687.206072	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Cl+HCOOH"	80.974872
"1326701"	709.188029	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Cl+NaCOOH"	102.956829
"918853"	719.216786	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M-H+CF3COOH"	112.985586
"1299935"	755.193464	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Cl+CF3COOH"	148.962264
"1375908"	571.218524	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H-2H2O"	-35.012676
"1395593"	589.2285	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H-H2O"	-17.0027
"297468"	1213.469676	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+H"	1.007276
"687702"	1819.700876	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+H"	1.007276
"1366238"	607.238476	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H"	1.007276
"138770"	607.238476	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+2H"	2.014552
"572131"	910.354076	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+2H"	2.014552
"1045304"	304.122876	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2H"	2.014552
"218309"	405.161409333333	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+3H"	3.021828
"657137"	607.238476	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+3H"	3.021828
"1177942"	203.084342666667	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+3H"	3.021828
"439635"	1230.496223	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+NH4"	18.033823
"800994"	1836.727423	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+NH4"	18.033823
"1696636"	624.265023	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+NH4"	18.033823
"344871"	615.7517495	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+H+NH4"	19.041099
"733280"	918.8673495	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+H+NH4"	19.041099
"1491111"	312.6361495	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H+NH4"	19.041099
"406874"	1235.451618	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+Na"	22.989218
"767869"	1841.682818	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+Na"	22.989218
"1617063"	629.220418	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Na"	22.989218
"327098"	618.229447	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+H+Na"	23.996494
"719519"	921.345047	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+H+Na"	23.996494
"1467871"	315.113847	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H+Na"	23.996494
"1055282"	210.411656666667	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2H+Na"	25.00377
"1270451"	639.264686	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+CH3OH+H"	33.033486
"379922"	1251.425558	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+K"	38.963158
"739824"	1857.656758	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+K"	38.963158
"1544792"	645.194358	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+K"	38.963158
"305979"	626.216417	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+H+K"	39.970434
"696213"	929.332017	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+H+K"	39.970434
"1452221"	323.100817	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H+K"	39.970434
"237906"	1254.496226	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+ACN+H"	42.033826
"1210732"	648.265026	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+ACN+H"	42.033826
"1195588"	324.636151	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+ACN+2H"	43.041102
"188822"	1257.43356	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+2Na-H"	44.97116
"631666"	1863.66476	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+2Na-H"	44.97116
"1132121"	651.20236	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2Na-H"	44.97116
"173965"	629.220418	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+2Na"	45.978436
"613644"	932.336018	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+2Na"	45.978436
"1116539"	326.104818	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2Na"	45.978436
"1401776"	217.738970666667	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H+2Na"	46.985712
"1432068"	653.243946	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H+HCOOH"	47.012746
"222125"	634.25344	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+3H2O+2H"	56.04448
"1512747"	667.29599	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+IsoProp+H"	61.06479
"414986"	637.207388	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+Na+K"	61.952376
"778177"	940.322988	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+Na+K"	61.952376
"1674507"	334.091788	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Na+K"	61.952376
"255563"	1276.478168	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+ACN+Na"	64.015768
"1231552"	670.246968	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+ACN+Na"	64.015768
"1718251"	670.270493	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+NH4+HCOOH"	64.039293
"1180325"	225.066284666667	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+3Na"	68.967654
"1652404"	675.225888	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Na+HCOOH"	68.994688
"157360"	1289.38144	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+2K-H"	76.91904
"599920"	1895.61264	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+2K-H"	76.91904
"1086618"	683.15024	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2K-H"	76.91904
"141419"	645.194358	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"2M+2K"	77.926316
"581460"	948.309958	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"3M+2K"	77.926316
"1069813"	342.078758	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2K"	77.926316
"1100349"	685.164792	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2K+H"	78.933592
"1344759"	685.252407	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+DMSO+H"	79.021207
"1006849"	689.291576	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2ACN+H"	83.060376
"1531415"	690.285208	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+IsoProp+Na+H"	84.054008
"996770"	345.149426	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+2ACN+2H"	84.067652
"1596741"	691.199828	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+K+HCOOH"	84.968628
"1423495"	721.231338	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+H+CF3COOH"	115.000138
"1154877"	365.662701	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+3ACN+2H"	125.094202
"1702241"	738.257885	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+NH4+CF3COOH"	132.026685
"1640078"	743.21328	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+Na+CF3COOH"	136.98208
"1573541"	759.18722	"C08750"	"Bruceantinol"	"C30H38O13"	"606.2312"	"M+K+CF3COOH"	152.95602
"808283"	480.1632	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M"	0
"987285"	461.14481	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-H2O-H"	-19.01839
"73339"	319.101524	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M-3H"	-3.021828
"511811"	479.155924	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M-3H"	-3.021828
"889613"	159.047124	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-3H"	-3.021828
"13654"	479.155924	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M-2H"	-2.014552
"449934"	719.237524	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M-2H"	-2.014552
"829924"	239.074324	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-2H"	-2.014552
"89915"	959.319124	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M-H"	-1.007276
"527286"	1439.482324	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M-H"	-1.007276
"906183"	479.155924	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-H"	-1.007276
"60559"	976.345671	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M-2H+NH4"	16.019271
"497931"	1456.508871	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M-2H+NH4"	16.019271
"874639"	496.182471	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-2H+NH4"	16.019271
"37072"	981.301066	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M-2H+Na"	20.974666
"485382"	1461.464266	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M-2H+Na"	20.974666
"849575"	501.137866	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-2H+Na"	20.974666
"1625062"	501.137866	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Na-2H"	20.974666
"95147"	497.144263	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M-H+Cl"	33.962126
"549541"	737.225863	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M-H+Cl"	33.962126
"935765"	257.062663	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-H+Cl"	33.962126
"270678"	995.295802	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+Cl"	34.969402
"663828"	1475.459002	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+Cl"	34.969402
"1278051"	515.132602	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Cl"	34.969402
"22792"	997.275006	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M-2H+K"	36.948606
"460166"	1477.438206	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M-2H+K"	36.948606
"836874"	517.111806	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-2H+K"	36.948606
"1559271"	517.111806	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+K-2H"	36.948606
"948256"	525.161394	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-H+HCOOH"	44.998194
"375224"	1005.324601	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+HCOOH-H"	44.998201
"361328"	1019.340251	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+Hac-H"	59.013851
"1508320"	539.177051	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Hac-H"	59.013851
"973628"	547.143351	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-H+NaCOOH"	66.980151
"123303"	515.132602	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+2Cl"	69.938804
"565610"	755.214202	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+2Cl"	69.938804
"1032755"	275.051002	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2Cl"	69.938804
"1249054"	559.082085	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Br"	78.918885
"1314783"	561.138072	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Cl+HCOOH"	80.974872
"1328997"	583.120029	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Cl+NaCOOH"	102.956829
"921149"	593.148786	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M-H+CF3COOH"	112.985586
"1301138"	629.125464	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Cl+CF3COOH"	148.962264
"1379298"	445.150524	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H-2H2O"	-35.012676
"1396068"	463.1605	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H-H2O"	-17.0027
"297701"	961.333676	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+H"	1.007276
"690365"	1441.496876	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+H"	1.007276
"1363066"	481.170476	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H"	1.007276
"134868"	481.170476	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+2H"	2.014552
"575522"	721.252076	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+2H"	2.014552
"1050517"	241.088876	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2H"	2.014552
"218419"	321.116076	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+3H"	3.021828
"658952"	481.170476	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+3H"	3.021828
"1178177"	161.061676	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+3H"	3.021828
"439871"	978.360223	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+NH4"	18.033823
"800616"	1458.523423	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+NH4"	18.033823
"1695974"	498.197023	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+NH4"	18.033823
"343522"	489.6837495	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+H+NH4"	19.041099
"733390"	729.7653495	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+H+NH4"	19.041099
"1487211"	249.6021495	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H+NH4"	19.041099
"401517"	983.315618	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+Na"	22.989218
"759232"	1463.478818	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+Na"	22.989218
"1612798"	503.152418	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Na"	22.989218
"323928"	492.161447	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+H+Na"	23.996494
"716349"	732.243047	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+H+Na"	23.996494
"1463606"	252.079847	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H+Na"	23.996494
"1055027"	168.38899	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2H+Na"	25.00377
"1269468"	513.196686	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+CH3OH+H"	33.033486
"378575"	999.289558	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+K"	38.963158
"742121"	1479.452758	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+K"	38.963158
"1545632"	519.126358	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+K"	38.963158
"306089"	500.148417	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+H+K"	39.970434
"696323"	740.230017	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+H+K"	39.970434
"1451238"	260.066817	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H+K"	39.970434
"238017"	1002.360226	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+ACN+H"	42.033826
"1210145"	522.197026	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+ACN+H"	42.033826
"1195822"	261.602151	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+ACN+2H"	43.041102
"188724"	1005.29756	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+2Na-H"	44.97116
"630683"	1485.46076	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+2Na-H"	44.97116
"1134554"	525.13436	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2Na-H"	44.97116
"173709"	503.152418	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+2Na"	45.978436
"614241"	743.234018	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+2Na"	45.978436
"1116406"	263.070818	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2Na"	45.978436
"1400063"	175.716304	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H+2Na"	46.985712
"1431813"	527.175946	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H+HCOOH"	47.012746
"221871"	508.18544	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+3H2O+2H"	56.04448
"1513222"	541.22799	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+IsoProp+H"	61.06479
"415096"	511.139388	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+Na+K"	61.952376
"783750"	751.220988	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+Na+K"	61.952376
"1676804"	271.057788	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Na+K"	61.952376
"256766"	1024.342168	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+ACN+Na"	64.015768
"1232755"	544.178968	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+ACN+Na"	64.015768
"1714715"	544.202493	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+NH4+HCOOH"	64.039293
"1180435"	183.043618	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+3Na"	68.967654
"1650686"	549.157888	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Na+HCOOH"	68.994688
"160468"	1037.24544	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+2K-H"	76.91904
"603309"	1517.40864	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+2K-H"	76.91904
"1088915"	557.08224	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2K-H"	76.91904
"142450"	519.126358	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"2M+2K"	77.926316
"581887"	759.207958	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"3M+2K"	77.926316
"1069923"	279.044758	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2K"	77.926316
"1101188"	559.096792	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2K+H"	78.933592
"1349122"	559.184407	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+DMSO+H"	79.021207
"1012306"	563.223576	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2ACN+H"	83.060376
"1534807"	564.217208	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+IsoProp+Na+H"	84.054008
"999068"	282.115426	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+2ACN+2H"	84.067652
"1595759"	565.131828	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+K+HCOOH"	84.968628
"1423605"	595.163338	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+H+CF3COOH"	115.000138
"1154987"	302.628701	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+3ACN+2H"	125.094202
"1702351"	612.189885	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+NH4+CF3COOH"	132.026685
"1640188"	617.14528	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+Na+CF3COOH"	136.98208
"1573651"	633.11922	"C08751"	"Bruceine B"	"C23H28O11"	"480.1632"	"M+K+CF3COOH"	152.95602
"810580"	410.1577	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M"	0
"989666"	391.13931	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-H2O-H"	-19.01839
"74542"	272.431190666667	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M-3H"	-3.021828
"510827"	409.150424	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M-3H"	-3.021828
"883160"	135.711957333333	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-3H"	-3.021828
"8296"	409.150424	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M-2H"	-2.014552
"450044"	614.229274	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M-2H"	-2.014552
"822377"	204.071574	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-2H"	-2.014552
"91119"	819.308124	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M-H"	-1.007276
"530677"	1229.465824	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M-H"	-1.007276
"906293"	409.150424	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-H"	-1.007276
"58482"	836.334671	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M-2H+NH4"	16.019271
"498041"	1246.492371	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M-2H+NH4"	16.019271
"874748"	426.176971	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-2H+NH4"	16.019271
"37182"	841.290066	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M-2H+Na"	20.974666
"486223"	1251.447766	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M-2H+Na"	20.974666
"853454"	431.132366	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-2H+Na"	20.974666
"1622256"	431.132366	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Na-2H"	20.974666
"95260"	427.138763	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M-H+Cl"	33.962126
"541630"	632.217613	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M-H+Cl"	33.962126
"934782"	222.059913	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-H+Cl"	33.962126
"272247"	855.284802	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+Cl"	34.969402
"662845"	1265.442502	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+Cl"	34.969402
"1274882"	445.127102	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Cl"	34.969402
"18895"	857.264006	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M-2H+K"	36.948606
"457362"	1267.421706	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M-2H+K"	36.948606
"835524"	447.106306	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-2H+K"	36.948606
"1557195"	447.106306	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+K-2H"	36.948606
"948366"	455.155894	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-H+HCOOH"	44.998194
"375334"	865.313601	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+HCOOH-H"	44.998201
"361225"	879.329251	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+Hac-H"	59.013851
"1507702"	469.171551	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Hac-H"	59.013851
"973290"	477.137851	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-H+NaCOOH"	66.980151
"124506"	445.127102	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+2Cl"	69.938804
"564436"	650.205952	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+2Cl"	69.938804
"1033958"	240.048252	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2Cl"	69.938804
"1249163"	489.076585	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Br"	78.918885
"1313799"	491.132572	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Cl+HCOOH"	80.974872
"1328013"	513.114529	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Cl+NaCOOH"	102.956829
"921258"	523.143286	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M-H+CF3COOH"	112.985586
"1299061"	559.119964	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Cl+CF3COOH"	148.962264
"1373940"	375.145024	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H-2H2O"	-35.012676
"1393626"	393.155	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H-H2O"	-17.0027
"297690"	821.322676	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+H"	1.007276
"689744"	1231.480376	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+H"	1.007276
"1363176"	411.164976	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H"	1.007276
"140439"	411.164976	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+2H"	2.014552
"577455"	616.243826	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+2H"	2.014552
"1050263"	206.086126	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2H"	2.014552
"217434"	274.445742666667	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+3H"	3.021828
"659873"	411.164976	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+3H"	3.021828
"1178367"	137.726509333333	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+3H"	3.021828
"439814"	838.349223	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+NH4"	18.033823
"801215"	1248.506923	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+NH4"	18.033823
"1695718"	428.191523	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+NH4"	18.033823
"343996"	419.6782495	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+H+NH4"	19.041099
"732407"	624.7570995	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+H+NH4"	19.041099
"1484040"	214.5993995	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H+NH4"	19.041099
"403814"	843.304618	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+Na"	22.989218
"759342"	1253.462318	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+Na"	22.989218
"1612908"	433.146918	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Na"	22.989218
"324038"	422.155947	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+H+Na"	23.996494
"720469"	627.234797	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+H+Na"	23.996494
"1468092"	217.077097	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H+Na"	23.996494
"1056594"	145.053823333333	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2H+Na"	25.00377
"1269578"	443.191186	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+CH3OH+H"	33.033486
"377345"	859.278558	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+K"	38.963158
"738989"	1269.436258	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+K"	38.963158
"1541367"	449.120858	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+K"	38.963158
"302917"	430.142917	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+H+K"	39.970434
"692298"	635.221767	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+H+K"	39.970434
"1450983"	225.064067	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H+K"	39.970434
"239219"	862.349226	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+ACN+H"	42.033826
"1210174"	452.191526	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+ACN+H"	42.033826
"1195809"	226.599401	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+ACN+2H"	43.041102
"189162"	865.28656	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+2Na-H"	44.97116
"630064"	1275.44426	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+2Na-H"	44.97116
"1134662"	455.12886	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2Na-H"	44.97116
"174304"	433.146918	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+2Na"	45.978436
"614229"	638.225768	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+2Na"	45.978436
"1116030"	228.068068	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2Na"	45.978436
"1399924"	152.381137333333	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H+2Na"	46.985712
"1431068"	457.170446	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H+HCOOH"	47.012746
"221980"	438.17994	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+3H2O+2H"	56.04448
"1509676"	471.22249	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+IsoProp+H"	61.06479
"410459"	441.133888	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+Na+K"	61.952376
"784589"	646.212738	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+Na+K"	61.952376
"1675821"	236.055038	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Na+K"	61.952376
"256875"	884.331168	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+ACN+Na"	64.015768
"1235052"	474.173468	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+ACN+Na"	64.015768
"1716284"	474.196993	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+NH4+HCOOH"	64.039293
"1181638"	159.708451333333	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+3Na"	68.967654
"1651525"	479.152388	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Na+HCOOH"	68.994688
"161673"	897.23444	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+2K-H"	76.91904
"598314"	1307.39214	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+2K-H"	76.91904
"1085010"	487.07674	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2K-H"	76.91904
"143653"	449.120858	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"2M+2K"	77.926316
"581582"	654.199708	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"3M+2K"	77.926316
"1070397"	244.042008	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2K"	77.926316
"1100397"	489.091292	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2K+H"	78.933592
"1349232"	489.178907	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+DMSO+H"	79.021207
"1012416"	493.218076	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2ACN+H"	83.060376
"1536982"	494.211708	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+IsoProp+Na+H"	84.054008
"1003551"	247.112676	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+2ACN+2H"	84.067652
"1595868"	495.126328	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+K+HCOOH"	84.968628
"1423715"	525.157838	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+H+CF3COOH"	115.000138
"1155097"	267.625951	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+3ACN+2H"	125.094202
"1702461"	542.184385	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+NH4+CF3COOH"	132.026685
"1640298"	547.13978	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+Na+CF3COOH"	136.98208
"1572668"	563.11372	"C08752"	"Bruceine D"	"C20H26O9"	"410.1577"	"M+K+CF3COOH"	152.95602
"811783"	682.2473	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M"	0
"986412"	663.22891	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-H2O-H"	-19.01839
"72467"	453.824257333333	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M-3H"	-3.021828
"505468"	681.240024	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M-3H"	-3.021828
"882177"	226.408490666667	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-3H"	-3.021828
"7313"	681.240024	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M-2H"	-2.014552
"447967"	1022.363674	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M-2H"	-2.014552
"821394"	340.116374	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-2H"	-2.014552
"83572"	1363.487324	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M-H"	-1.007276
"520944"	2045.734624	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M-H"	-1.007276
"906403"	681.240024	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-H"	-1.007276
"59686"	1380.513871	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M-2H+NH4"	16.019271
"497058"	2062.761171	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M-2H+NH4"	16.019271
"871579"	698.266571	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-2H+NH4"	16.019271
"36199"	1385.469266	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M-2H+Na"	20.974666
"485967"	2067.716566	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M-2H+Na"	20.974666
"856844"	703.221966	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-2H+Na"	20.974666
"1624189"	703.221966	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Na-2H"	20.974666
"98531"	699.228363	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M-H+Cl"	33.962126
"543563"	1040.352013	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M-H+Cl"	33.962126
"937081"	358.104713	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-H+Cl"	33.962126
"269078"	1399.464002	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+Cl"	34.969402
"663320"	2081.711302	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+Cl"	34.969402
"1276088"	717.216702	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Cl"	34.969402
"17550"	1401.443206	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M-2H+K"	36.948606
"457108"	2083.690506	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M-2H+K"	36.948606
"834544"	719.195906	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-2H+K"	36.948606
"1556574"	719.195906	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+K-2H"	36.948606
"947381"	727.245494	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-H+HCOOH"	44.998194
"365599"	1409.492801	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+HCOOH-H"	44.998201
"360912"	1423.508451	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+Hac-H"	59.013851
"1508447"	741.261151	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Hac-H"	59.013851
"973895"	749.227451	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-H+NaCOOH"	66.980151
"125701"	717.216702	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+2Cl"	69.938804
"565401"	1058.340352	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+2Cl"	69.938804
"1036707"	376.093052	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2Cl"	69.938804
"1251461"	761.166185	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Br"	78.918885
"1316096"	763.222172	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Cl+HCOOH"	80.974872
"1328124"	785.204129	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Cl+NaCOOH"	102.956829
"922100"	795.232886	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M-H+CF3COOH"	112.985586
"1300265"	831.209564	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Cl+CF3COOH"	148.962264
"1372957"	647.234624	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H-2H2O"	-35.012676
"1393736"	665.2446	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H-H2O"	-17.0027
"296708"	1365.501876	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+H"	1.007276
"688031"	2047.749176	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+H"	1.007276
"1363286"	683.254576	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H"	1.007276
"138362"	683.254576	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+2H"	2.014552
"574647"	1024.378226	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+2H"	2.014552
"1050739"	342.130926	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2H"	2.014552
"219004"	455.838809333333	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+3H"	3.021828
"659297"	683.254576	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+3H"	3.021828
"1177054"	228.423042666667	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+3H"	3.021828
"438868"	1382.528423	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+NH4"	18.033823
"800592"	2064.775723	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+NH4"	18.033823
"1695706"	700.281123	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+NH4"	18.033823
"343376"	691.7678495	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+H+NH4"	19.041099
"732517"	1032.8914995	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+H+NH4"	19.041099
"1484150"	350.6441995	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H+NH4"	19.041099
"400644"	1387.483818	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+Na"	22.989218
"759452"	2069.731118	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+Na"	22.989218
"1606457"	705.236518	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Na"	22.989218
"316614"	694.245547	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+H+Na"	23.996494
"708547"	1035.369197	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+H+Na"	23.996494
"1464189"	353.121897	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H+Na"	23.996494
"1053785"	235.750356666667	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2H+Na"	25.00377
"1258385"	715.280786	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+CH3OH+H"	33.033486
"379159"	1403.457758	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+K"	38.963158
"744895"	2085.705058	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+K"	38.963158
"1546947"	721.210458	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+K"	38.963158
"304122"	702.232517	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+H+K"	39.970434
"696542"	1043.356167	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+H+K"	39.970434
"1448907"	361.108867	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H+K"	39.970434
"237507"	1406.528426	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+ACN+H"	42.033826
"1210041"	724.281126	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+ACN+H"	42.033826
"1196286"	362.644201	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+ACN+2H"	43.041102
"188741"	1409.46576	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+2Na-H"	44.97116
"629811"	2091.71306	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+2Na-H"	44.97116
"1132952"	727.21846	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2Na-H"	44.97116
"173204"	705.236518	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+2Na"	45.978436
"613980"	1046.360168	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+2Na"	45.978436
"1116386"	364.112868	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2Na"	45.978436
"1398578"	243.077670666667	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H+2Na"	46.985712
"1430208"	729.260046	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H+HCOOH"	47.012746
"221728"	710.26954	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+3H2O+2H"	56.04448
"1508735"	743.31209	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+IsoProp+H"	61.06479
"409843"	713.223488	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+Na+K"	61.952376
"782876"	1054.347138	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+Na+K"	61.952376
"1675931"	372.099838	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Na+K"	61.952376
"258079"	1428.510368	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+ACN+Na"	64.015768
"1230423"	746.263068	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+ACN+Na"	64.015768
"1713474"	746.286593	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+NH4+HCOOH"	64.039293
"1183205"	250.404984666667	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+3Na"	68.967654
"1650667"	751.241988	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Na+HCOOH"	68.994688
"161053"	1441.41364	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+2K-H"	76.91904
"597162"	2123.66094	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+2K-H"	76.91904
"1085485"	759.16634	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2K-H"	76.91904
"142786"	721.210458	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"2M+2K"	77.926316
"581531"	1062.334108	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"3M+2K"	77.926316
"1071115"	380.086808	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2K"	77.926316
"1100185"	761.180892	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2K+H"	78.933592
"1348249"	761.268507	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+DMSO+H"	79.021207
"1012526"	765.307676	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2ACN+H"	83.060376
"1538064"	766.301308	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+IsoProp+Na+H"	84.054008
"1004512"	383.157476	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+2ACN+2H"	84.067652
"1595978"	767.215928	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+K+HCOOH"	84.968628
"1423825"	797.247438	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+H+CF3COOH"	115.000138
"1155207"	403.670751	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+3ACN+2H"	125.094202
"1700384"	814.273985	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+NH4+CF3COOH"	132.026685
"1640408"	819.22938	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+Na+CF3COOH"	136.98208
"1572778"	835.20332	"C08753"	"Bruceoside A"	"C32H42O16"	"682.2473"	"M+K+CF3COOH"	152.95602
"812987"	520.1945	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M"	0
"987615"	501.17611	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-H2O-H"	-19.01839
"74763"	345.789057333333	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M-3H"	-3.021828
"506671"	519.187224	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M-3H"	-3.021828
"885567"	172.390890666667	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-3H"	-3.021828
"7423"	519.187224	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M-2H"	-2.014552
"445890"	779.284474	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M-2H"	-2.014552
"823691"	259.089974	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-2H"	-2.014552
"84776"	1039.381724	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M-H"	-1.007276
"523242"	1559.576224	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M-H"	-1.007276
"907607"	519.187224	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-H"	-1.007276
"56515"	1056.408271	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M-2H+NH4"	16.019271
"499355"	1576.602771	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M-2H+NH4"	16.019271
"871689"	536.213771	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-2H+NH4"	16.019271
"38496"	1061.363666	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M-2H+Na"	20.974666
"482432"	1581.558166	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M-2H+Na"	20.974666
"860234"	541.169166	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-2H+Na"	20.974666
"1624299"	541.169166	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Na-2H"	20.974666
"97546"	537.175563	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M-H+Cl"	33.962126
"543673"	797.272813	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M-H+Cl"	33.962126
"938284"	277.078313	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-H+Cl"	33.962126
"269188"	1075.358402	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+Cl"	34.969402
"665982"	1595.552902	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+Cl"	34.969402
"1276198"	555.163902	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Cl"	34.969402
"20940"	1077.337606	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M-2H+K"	36.948606
"457946"	1597.532106	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M-2H+K"	36.948606
"835018"	557.143106	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-2H+K"	36.948606
"1557413"	557.143106	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+K-2H"	36.948606
"948584"	565.192694	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-H+HCOOH"	44.998194
"365709"	1085.387201	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+HCOOH-H"	44.998201
"360416"	1099.402851	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+Hac-H"	59.013851
"1508209"	579.208351	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Hac-H"	59.013851
"973931"	587.174651	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-H+NaCOOH"	66.980151
"125500"	555.163902	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+2Cl"	69.938804
"565587"	815.261152	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+2Cl"	69.938804
"1037004"	295.066652	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2Cl"	69.938804
"1252663"	599.113385	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Br"	78.918885
"1316206"	601.169372	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Cl+HCOOH"	80.974872
"1328234"	623.151329	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Cl+NaCOOH"	102.956829
"924033"	633.180086	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M-H+CF3COOH"	112.985586
"1301104"	669.156764	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Cl+CF3COOH"	148.962264
"1371974"	485.181824	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H-2H2O"	-35.012676
"1393846"	503.1918	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H-H2O"	-17.0027
"297060"	1041.396276	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+H"	1.007276
"690329"	1561.590776	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+H"	1.007276
"1366191"	521.201776	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H"	1.007276
"139931"	521.201776	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+2H"	2.014552
"576944"	781.299026	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+2H"	2.014552
"1051213"	261.104526	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2H"	2.014552
"218016"	347.803609333333	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+3H"	3.021828
"659526"	521.201776	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+3H"	3.021828
"1177896"	174.405442666667	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+3H"	3.021828
"439547"	1058.422823	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+NH4"	18.033823
"800580"	1578.617323	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+NH4"	18.033823
"1695936"	538.228323	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+NH4"	18.033823
"340204"	529.7150495	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+H+NH4"	19.041099
"734814"	789.8122995	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+H+NH4"	19.041099
"1485354"	269.6177995	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H+NH4"	19.041099
"401847"	1063.378218	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+Na"	22.989218
"758468"	1583.572718	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+Na"	22.989218
"1610941"	543.183718	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Na"	22.989218
"322070"	532.192747	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+H+Na"	23.996494
"712303"	792.289997	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+H+Na"	23.996494
"1464299"	272.095497	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H+Na"	23.996494
"1053897"	181.732756666667	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2H+Na"	25.00377
"1261410"	553.227986	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+CH3OH+H"	33.033486
"381092"	1079.352158	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+K"	38.963158
"743911"	1599.546658	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+K"	38.963158
"1545963"	559.157658	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+K"	38.963158
"306419"	540.179717	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+H+K"	39.970434
"696651"	800.276967	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+H+K"	39.970434
"1450474"	280.082467	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H+K"	39.970434
"239076"	1082.422826	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+ACN+H"	42.033826
"1211539"	562.228326	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+ACN+H"	42.033826
"1197126"	281.617801	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+ACN+2H"	43.041102
"190361"	1085.36016	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+2Na-H"	44.97116
"636847"	1605.55466	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+2Na-H"	44.97116
"1140353"	565.16566	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2Na-H"	44.97116
"173800"	543.183718	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+2Na"	45.978436
"614820"	803.280968	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+2Na"	45.978436
"1116861"	283.086468	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2Na"	45.978436
"1400026"	189.060070666667	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H+2Na"	46.985712
"1432508"	567.207246	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H+HCOOH"	47.012746
"221838"	548.21674	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+3H2O+2H"	56.04448
"1509898"	581.25929	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+IsoProp+H"	61.06479
"410681"	551.170688	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+Na+K"	61.952376
"774239"	811.267938	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+Na+K"	61.952376
"1674946"	291.073438	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Na+K"	61.952376
"257460"	1104.404768	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+ACN+Na"	64.015768
"1230898"	584.210268	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+ACN+Na"	64.015768
"1713587"	584.233793	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+NH4+HCOOH"	64.039293
"1180035"	196.387384666667	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+3Na"	68.967654
"1650412"	589.189188	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Na+HCOOH"	68.994688
"160069"	1117.30804	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+2K-H"	76.91904
"597476"	1637.50254	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+2K-H"	76.91904
"1084293"	597.11354	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2K-H"	76.91904
"142534"	559.157658	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"2M+2K"	77.926316
"581563"	819.254908	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"3M+2K"	77.926316
"1068914"	299.060408	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2K"	77.926316
"1100537"	599.128092	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2K+H"	78.933592
"1346293"	599.215707	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+DMSO+H"	79.021207
"1012636"	603.254876	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2ACN+H"	83.060376
"1535136"	604.248508	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+IsoProp+Na+H"	84.054008
"1001585"	302.131076	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+2ACN+2H"	84.067652
"1594995"	605.163128	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+K+HCOOH"	84.968628
"1423935"	635.194638	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+H+CF3COOH"	115.000138
"1153130"	322.644351	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+3ACN+2H"	125.094202
"1702681"	652.221185	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+NH4+CF3COOH"	132.026685
"1640518"	657.17658	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+Na+CF3COOH"	136.98208
"1572888"	673.15052	"C08754"	"Brusatol"	"C26H32O11"	"520.1945"	"M+K+CF3COOH"	152.95602
"810910"	478.2203	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M"	0
"985538"	459.20191	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-H2O-H"	-19.01839
"76696"	317.806257333333	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M-3H"	-3.021828
"506781"	477.213024	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M-3H"	-3.021828
"885677"	158.399490666667	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-3H"	-3.021828
"5346"	477.213024	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M-2H"	-2.014552
"447093"	716.323174	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M-2H"	-2.014552
"821614"	238.102874	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-2H"	-2.014552
"83792"	955.433324	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M-H"	-1.007276
"525539"	1433.653624	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M-H"	-1.007276
"906624"	477.213024	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-H"	-1.007276
"56625"	972.459871	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M-2H+NH4"	16.019271
"493998"	1450.680171	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M-2H+NH4"	16.019271
"870706"	494.239571	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-2H+NH4"	16.019271
"41886"	977.415266	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M-2H+Na"	20.974666
"484608"	1455.635566	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M-2H+Na"	20.974666
"859251"	499.194966	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-2H+Na"	20.974666
"1628783"	499.194966	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Na-2H"	20.974666
"97655"	495.201363	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M-H+Cl"	33.962126
"538315"	734.311513	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M-H+Cl"	33.962126
"935113"	256.091213	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-H+Cl"	33.962126
"271485"	991.410002	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+Cl"	34.969402
"661715"	1469.630302	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+Cl"	34.969402
"1275579"	513.189702	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Cl"	34.969402
"16796"	993.389206	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M-2H+K"	36.948606
"457327"	1471.609506	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M-2H+K"	36.948606
"834763"	515.168906	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-2H+K"	36.948606
"1558612"	515.168906	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+K-2H"	36.948606
"950881"	523.218494	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-H+HCOOH"	44.998194
"362539"	1001.438801	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+HCOOH-H"	44.998201
"355173"	1015.454451	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+Hac-H"	59.013851
"1507545"	537.234151	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Hac-H"	59.013851
"973993"	545.200451	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-H+NaCOOH"	66.980151
"125449"	513.189702	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+2Cl"	69.938804
"562205"	752.299852	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+2Cl"	69.938804
"1036842"	274.079552	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2Cl"	69.938804
"1253502"	557.139185	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Br"	78.918885
"1315222"	559.195172	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Cl+HCOOH"	80.974872
"1329437"	581.177129	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Cl+NaCOOH"	102.956829
"923415"	591.205886	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M-H+CF3COOH"	112.985586
"1299028"	627.182564	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Cl+CF3COOH"	148.962264
"1372084"	443.207624	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H-2H2O"	-35.012676
"1395780"	461.2176	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H-H2O"	-17.0027
"296927"	957.447876	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+H"	1.007276
"687159"	1435.668176	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+H"	1.007276
"1362778"	479.227576	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H"	1.007276
"136397"	479.227576	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+2H"	2.014552
"575597"	718.337726	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+2H"	2.014552
"1050227"	240.117426	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2H"	2.014552
"217398"	319.820809333333	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+3H"	3.021828
"659517"	479.227576	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+3H"	3.021828
"1178248"	160.414042666667	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+3H"	3.021828
"439777"	974.474423	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+NH4"	18.033823
"800770"	1452.694723	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+NH4"	18.033823
"1696046"	496.254123	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+NH4"	18.033823
"340314"	487.7408495	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+H+NH4"	19.041099
"729457"	726.8509995	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+H+NH4"	19.041099
"1486557"	248.6306995	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H+NH4"	19.041099
"398677"	979.429818	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+Na"	22.989218
"758942"	1457.650118	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+Na"	22.989218
"1605584"	501.209518	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Na"	22.989218
"324367"	490.218547	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+H+Na"	23.996494
"712413"	729.328697	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+H+Na"	23.996494
"1466232"	251.108397	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H+Na"	23.996494
"1056194"	167.741356666667	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2H+Na"	25.00377
"1265528"	511.253786	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+CH3OH+H"	33.033486
"379015"	995.403758	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+K"	38.963158
"740737"	1473.624058	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+K"	38.963158
"1546073"	517.183458	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+K"	38.963158
"305069"	498.205517	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+H+K"	39.970434
"695667"	737.315667	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+H+K"	39.970434
"1448032"	259.095367	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H+K"	39.970434
"238457"	998.474426	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+ACN+H"	42.033826
"1211162"	520.254126	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+ACN+H"	42.033826
"1198330"	260.630701	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+ACN+2H"	43.041102
"189742"	1001.41176	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+2Na-H"	44.97116
"639511"	1479.63206	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+2Na-H"	44.97116
"1140465"	523.19146	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2Na-H"	44.97116
"175001"	501.209518	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+2Na"	45.978436
"614562"	740.319668	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+2Na"	45.978436
"1118795"	262.099368	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2Na"	45.978436
"1400256"	175.068670666667	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H+2Na"	46.985712
"1432251"	525.233046	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H+HCOOH"	47.012746
"223039"	506.24254	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+3H2O+2H"	56.04448
"1511831"	539.28509	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+IsoProp+H"	61.06479
"411518"	509.196488	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+Na+K"	61.952376
"774349"	748.306638	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+Na+K"	61.952376
"1672870"	270.086338	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Na+K"	61.952376
"257205"	1020.456368	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+ACN+Na"	64.015768
"1228092"	542.236068	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+ACN+Na"	64.015768
"1713697"	542.259593	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+NH4+HCOOH"	64.039293
"1180145"	182.395984666667	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+3Na"	68.967654
"1650275"	547.214988	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Na+HCOOH"	68.994688
"157502"	1033.35964	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+2K-H"	76.91904
"597260"	1511.57994	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+2K-H"	76.91904
"1084487"	555.13934	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2K-H"	76.91904
"141669"	517.183458	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"2M+2K"	77.926316
"581957"	756.293608	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"3M+2K"	77.926316
"1069024"	278.073308	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2K"	77.926316
"1100525"	557.153892	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2K+H"	78.933592
"1338748"	557.241507	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+DMSO+H"	79.021207
"1012746"	561.280676	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2ACN+H"	83.060376
"1535246"	562.274308	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+IsoProp+Na+H"	84.054008
"1003881"	281.143976	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+2ACN+2H"	84.067652
"1595105"	563.188928	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+K+HCOOH"	84.968628
"1422952"	593.220438	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+H+CF3COOH"	115.000138
"1155427"	301.657251	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+3ACN+2H"	125.094202
"1702791"	610.246985	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+NH4+CF3COOH"	132.026685
"1640628"	615.20238	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+Na+CF3COOH"	136.98208
"1572998"	631.17632	"C08755"	"Castelanone"	"C25H34O9"	"478.2203"	"M+K+CF3COOH"	152.95602
"811020"	380.1835	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M"	0
"989828"	361.16511	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-H2O-H"	-19.01839
"76076"	252.448390666667	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M-3H"	-3.021828
"507985"	379.176224	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M-3H"	-3.021828
"887974"	125.720557333333	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-3H"	-3.021828
"7643"	379.176224	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M-2H"	-2.014552
"450483"	569.267974	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M-2H"	-2.014552
"828285"	189.084474	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-2H"	-2.014552
"92651"	759.359724	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M-H"	-1.007276
"525650"	1139.543224	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M-H"	-1.007276
"901265"	379.176224	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-H"	-1.007276
"56735"	776.386271	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M-2H+NH4"	16.019271
"499576"	1156.569771	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M-2H+NH4"	16.019271
"870816"	396.202771	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-2H+NH4"	16.019271
"44184"	781.341666	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M-2H+Na"	20.974666
"484839"	1161.525166	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M-2H+Na"	20.974666
"860457"	401.158166	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-2H+Na"	20.974666
"1627801"	401.158166	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Na-2H"	20.974666
"98497"	397.164563	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M-H+Cl"	33.962126
"535509"	587.256313	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M-H+Cl"	33.962126
"941420"	207.072813	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-H+Cl"	33.962126
"272688"	795.336402	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+Cl"	34.969402
"662922"	1175.519902	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+Cl"	34.969402
"1282978"	415.152902	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Cl"	34.969402
"18244"	797.315606	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M-2H+K"	36.948606
"459626"	1177.499106	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M-2H+K"	36.948606
"834508"	417.132106	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-2H+K"	36.948606
"1556899"	417.132106	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+K-2H"	36.948606
"949898"	425.181694	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-H+HCOOH"	44.998194
"365926"	805.365201	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+HCOOH-H"	44.998201
"357470"	819.380851	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+Hac-H"	59.013851
"1507411"	439.197351	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Hac-H"	59.013851
"973858"	447.163651	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-H+NaCOOH"	66.980151
"123857"	415.152902	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+2Cl"	69.938804
"564502"	605.244652	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+2Cl"	69.938804
"1036594"	225.061152	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2Cl"	69.938804
"1255437"	459.102385	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Br"	78.918885
"1313145"	461.158372	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Cl+HCOOH"	80.974872
"1330641"	483.140329	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Cl+NaCOOH"	102.956829
"920607"	493.169086	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M-H+CF3COOH"	112.985586
"1296221"	529.145764	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Cl+CF3COOH"	148.962264
"1372194"	345.170824	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H-2H2O"	-35.012676
"1395886"	363.1808	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H-H2O"	-17.0027
"291565"	761.374276	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+H"	1.007276
"688726"	1141.557776	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+H"	1.007276
"1363615"	381.190776	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H"	1.007276
"135411"	381.190776	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+2H"	2.014552
"578260"	571.282526	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+2H"	2.014552
"1051920"	191.099026	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2H"	2.014552
"218973"	254.462942666667	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+3H"	3.021828
"659256"	381.190776	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+3H"	3.021828
"1178238"	127.735109333333	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+3H"	3.021828
"439942"	778.400823	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+NH4"	18.033823
"801004"	1158.584323	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+NH4"	18.033823
"1696978"	398.217323	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+NH4"	18.033823
"342610"	389.7040495	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+H+NH4"	19.041099
"735034"	579.7957995	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+H+NH4"	19.041099
"1488854"	199.6122995	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H+NH4"	19.041099
"406441"	783.356218	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+Na"	22.989218
"767436"	1163.539718	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+Na"	22.989218
"1614441"	403.172718	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Na"	22.989218
"323384"	392.181747	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+H+Na"	23.996494
"714710"	582.273497	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+H+Na"	23.996494
"1467435"	202.089997	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H+Na"	23.996494
"1056304"	135.062423333333	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2H+Na"	25.00377
"1265638"	413.216986	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+CH3OH+H"	33.033486
"379855"	799.330158	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+K"	38.963158
"746318"	1179.513658	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+K"	38.963158
"1545818"	419.146658	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+K"	38.963158
"306641"	400.168717	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+H+K"	39.970434
"699059"	590.260467	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+H+K"	39.970434
"1452153"	210.076967	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H+K"	39.970434
"244037"	802.400826	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+ACN+H"	42.033826
"1217839"	422.217326	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+ACN+H"	42.033826
"1206823"	211.612301	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+ACN+2H"	43.041102
"202612"	805.33816	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+2Na-H"	44.97116
"638528"	1185.52166	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+2Na-H"	44.97116
"1143852"	425.15466	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2Na-H"	44.97116
"179126"	403.172718	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+2Na"	45.978436
"615039"	593.264468	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+2Na"	45.978436
"1118908"	213.080968	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2Na"	45.978436
"1401705"	142.389737333333	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H+2Na"	46.985712
"1434185"	427.196246	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H+HCOOH"	47.012746
"224974"	408.20574	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+3H2O+2H"	56.04448
"1511213"	441.24829	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+IsoProp+H"	61.06479
"411992"	411.159688	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+Na+K"	61.952376
"777739"	601.251438	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+Na+K"	61.952376
"1671885"	221.067938	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Na+K"	61.952376
"256222"	824.382768	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+ACN+Na"	64.015768
"1231118"	444.199268	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+ACN+Na"	64.015768
"1714899"	444.222793	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+NH4+HCOOH"	64.039293
"1181347"	149.717051333333	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+3Na"	68.967654
"1651239"	449.178188	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Na+HCOOH"	68.994688
"157488"	837.28604	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+2K-H"	76.91904
"597289"	1217.46954	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+2K-H"	76.91904
"1084596"	457.10254	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2K-H"	76.91904
"141571"	419.146658	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"2M+2K"	77.926316
"582068"	609.238408	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"3M+2K"	77.926316
"1068890"	229.054908	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2K"	77.926316
"1100393"	459.117092	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2K+H"	78.933592
"1339218"	459.204707	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+DMSO+H"	79.021207
"1012856"	463.243876	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2ACN+H"	83.060376
"1526608"	464.237508	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+IsoProp+Na+H"	84.054008
"996336"	232.125576	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+2ACN+2H"	84.067652
"1597401"	465.152128	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+K+HCOOH"	84.968628
"1425248"	495.183638	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+H+CF3COOH"	115.000138
"1155537"	252.638851	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+3ACN+2H"	125.094202
"1702901"	512.210185	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+NH4+CF3COOH"	132.026685
"1639644"	517.16558	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+Na+CF3COOH"	136.98208
"1573108"	533.13952	"C08756"	"Chaparrin"	"C20H28O7"	"380.1835"	"M+K+CF3COOH"	152.95602
"810037"	378.1679	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M"	0
"987581"	359.14951	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-H2O-H"	-19.01839
"73999"	251.104657333333	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M-3H"	-3.021828
"508095"	377.160624	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M-3H"	-3.021828
"888084"	125.048690666667	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-3H"	-3.021828
"4473"	377.160624	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M-2H"	-2.014552
"450593"	566.244574	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M-2H"	-2.014552
"828395"	188.076674	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-2H"	-2.014552
"87294"	755.328524	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M-H"	-1.007276
"524666"	1133.496424	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M-H"	-1.007276
"900281"	377.160624	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-H"	-1.007276
"55747"	772.355071	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M-2H+NH4"	16.019271
"498586"	1150.522971	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M-2H+NH4"	16.019271
"874206"	394.187171	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-2H+NH4"	16.019271
"39919"	777.310466	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M-2H+Na"	20.974666
"484949"	1155.478366	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M-2H+Na"	20.974666
"860204"	399.142566	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-2H+Na"	20.974666
"1627914"	399.142566	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Na-2H"	20.974666
"104442"	395.148963	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M-H+Cl"	33.962126
"540722"	584.232913	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M-H+Cl"	33.962126
"942222"	206.065013	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-H+Cl"	33.962126
"278265"	791.305202	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+Cl"	34.969402
"671779"	1169.473102	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+Cl"	34.969402
"1279808"	413.137302	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Cl"	34.969402
"23458"	793.284406	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M-2H+K"	36.948606
"466297"	1171.452306	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M-2H+K"	36.948606
"835349"	415.116506	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-2H+K"	36.948606
"1556653"	415.116506	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+K-2H"	36.948606
"950008"	423.166094	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-H+HCOOH"	44.998194
"367129"	801.334001	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+HCOOH-H"	44.998201
"357216"	815.349651	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+Hac-H"	59.013851
"1507036"	437.181751	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Hac-H"	59.013851
"972876"	445.148051	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-H+NaCOOH"	66.980151
"124327"	413.137302	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+2Cl"	69.938804
"564736"	602.221252	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+2Cl"	69.938804
"1036339"	224.053352	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2Cl"	69.938804
"1256811"	457.086785	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Br"	78.918885
"1316903"	459.142772	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Cl+HCOOH"	80.974872
"1334036"	481.124729	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Cl+NaCOOH"	102.956829
"923635"	491.153486	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M-H+CF3COOH"	112.985586
"1300707"	527.130164	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Cl+CF3COOH"	148.962264
"1379232"	343.155224	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H-2H2O"	-35.012676
"1396004"	361.1652	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H-H2O"	-17.0027
"295692"	757.343076	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+H"	1.007276
"687018"	1135.510976	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+H"	1.007276
"1364825"	379.175176	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H"	1.007276
"135891"	379.175176	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+2H"	2.014552
"579831"	568.259126	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+2H"	2.014552
"1051544"	190.091226	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2H"	2.014552
"217625"	253.119209333333	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+3H"	3.021828
"657915"	379.175176	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+3H"	3.021828
"1176647"	127.063242666667	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+3H"	3.021828
"439757"	774.369623	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+NH4"	18.033823
"800673"	1152.537523	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+NH4"	18.033823
"1696151"	396.201723	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+NH4"	18.033823
"345479"	387.6884495	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+H+NH4"	19.041099
"735873"	576.7723995	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+H+NH4"	19.041099
"1490789"	198.6044995	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H+NH4"	19.041099
"405458"	779.325018	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+Na"	22.989218
"766454"	1157.492918	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+Na"	22.989218
"1609085"	401.157118	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Na"	22.989218
"324588"	390.166147	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+H+Na"	23.996494
"717010"	579.250097	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+H+Na"	23.996494
"1471923"	201.082197	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H+Na"	23.996494
"1063710"	134.390556666667	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2H+Na"	25.00377
"1264658"	411.201386	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+CH3OH+H"	33.033486
"388714"	795.298958	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+K"	38.963158
"749709"	1173.466858	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+K"	38.963158
"1548482"	417.131058	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+K"	38.963158
"306751"	398.153117	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+H+K"	39.970434
"699170"	587.237067	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+H+K"	39.970434
"1452994"	209.069167	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H+K"	39.970434
"244877"	798.369626	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+ACN+H"	42.033826
"1219772"	420.201726	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+ACN+H"	42.033826
"1207663"	210.604501	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+ACN+2H"	43.041102
"200900"	801.30696	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+2Na-H"	44.97116
"641188"	1179.47486	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+2Na-H"	44.97116
"1142874"	423.13906	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2Na-H"	44.97116
"181788"	401.157118	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+2Na"	45.978436
"616974"	590.241068	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+2Na"	45.978436
"1119750"	212.073168	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2Na"	45.978436
"1402912"	141.717870666667	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H+2Na"	46.985712
"1435027"	425.180646	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H+HCOOH"	47.012746
"223261"	406.19014	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+3H2O+2H"	56.04448
"1515334"	439.23269	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+IsoProp+H"	61.06479
"412467"	409.144088	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+Na+K"	61.952376
"781131"	598.228038	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+Na+K"	61.952376
"1675275"	220.060138	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Na+K"	61.952376
"257426"	820.351568	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+ACN+Na"	64.015768
"1229406"	442.183668	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+ACN+Na"	64.015768
"1716834"	442.207193	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+NH4+HCOOH"	64.039293
"1179877"	149.045184666667	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+3Na"	68.967654
"1650740"	447.162588	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Na+HCOOH"	68.994688
"157844"	833.25484	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+2K-H"	76.91904
"598377"	1211.42274	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+2K-H"	76.91904
"1084382"	455.08694	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2K-H"	76.91904
"141473"	417.131058	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"2M+2K"	77.926316
"581397"	606.215008	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"3M+2K"	77.926316
"1069362"	228.047108	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2K"	77.926316
"1100630"	457.101492	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2K+H"	78.933592
"1338964"	457.189107	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+DMSO+H"	79.021207
"1012966"	461.228276	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2ACN+H"	83.060376
"1527810"	462.221908	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+IsoProp+Na+H"	84.054008
"992070"	231.117776	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+2ACN+2H"	84.067652
"1594228"	463.136528	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+K+HCOOH"	84.968628
"1420982"	493.168038	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+H+CF3COOH"	115.000138
"1154551"	251.631051	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+3ACN+2H"	125.094202
"1703011"	510.194585	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+NH4+CF3COOH"	132.026685
"1639754"	515.14998	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+Na+CF3COOH"	136.98208
"1573218"	531.12392	"C08757"	"Chaparrinone"	"C20H26O7"	"378.1679"	"M+K+CF3COOH"	152.95602
"811240"	366.2042	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M"	0
"986962"	347.18581	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-H2O-H"	-19.01839
"73018"	243.128857333333	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M-3H"	-3.021828
"507113"	365.196924	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M-3H"	-3.021828
"886008"	121.060790666667	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-3H"	-3.021828
"13332"	365.196924	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M-2H"	-2.014552
"453984"	548.299024	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M-2H"	-2.014552
"831786"	182.094824	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-2H"	-2.014552
"92751"	731.401124	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M-H"	-1.007276
"528057"	1097.605324	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M-H"	-1.007276
"902578"	365.196924	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-H"	-1.007276
"55861"	748.427671	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M-2H+NH4"	16.019271
"492140"	1114.631871	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M-2H+NH4"	16.019271
"871036"	382.223471	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-2H+NH4"	16.019271
"38935"	753.383066	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M-2H+Na"	20.974666
"483238"	1119.587266	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M-2H+Na"	20.974666
"858856"	387.178866	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-2H+Na"	20.974666
"1624743"	387.178866	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Na-2H"	20.974666
"101271"	383.185263	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M-H+Cl"	33.962126
"546303"	566.287363	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M-H+Cl"	33.962126
"932165"	200.083163	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-H+Cl"	33.962126
"270722"	767.377802	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+Cl"	34.969402
"666422"	1133.582002	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+Cl"	34.969402
"1274574"	401.173602	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Cl"	34.969402
"20288"	769.357006	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M-2H+K"	36.948606
"459847"	1135.561206	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M-2H+K"	36.948606
"833148"	403.152806	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-2H+K"	36.948606
"1558946"	403.152806	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+K-2H"	36.948606
"944650"	411.202394	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-H+HCOOH"	44.998194
"362134"	777.406601	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+HCOOH-H"	44.998201
"359877"	791.422251	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+Hac-H"	59.013851
"1502146"	425.218051	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Hac-H"	59.013851
"973929"	433.184351	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-H+NaCOOH"	66.980151
"125309"	401.173602	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+2Cl"	69.938804
"565345"	584.275702	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+2Cl"	69.938804
"1036330"	218.071502	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2Cl"	69.938804
"1256518"	445.123085	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Br"	78.918885
"1317739"	447.179072	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Cl+HCOOH"	80.974872
"1334754"	469.161029	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Cl+NaCOOH"	102.956829
"923379"	479.189786	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M-H+CF3COOH"	112.985586
"1302276"	515.166464	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Cl+CF3COOH"	148.962264
"1379342"	331.191524	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H-2H2O"	-35.012676
"1397204"	349.2015	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H-H2O"	-17.0027
"297019"	733.415676	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+H"	1.007276
"688219"	1099.619876	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+H"	1.007276
"1362383"	367.211476	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H"	1.007276
"136362"	367.211476	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+2H"	2.014552
"579212"	550.313576	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+2H"	2.014552
"1050927"	184.109376	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2H"	2.014552
"218463"	245.143409333333	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+3H"	3.021828
"658753"	367.211476	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+3H"	3.021828
"1176878"	123.075342666667	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+3H"	3.021828
"438938"	750.442223	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+NH4"	18.033823
"800660"	1116.646423	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+NH4"	18.033823
"1695775"	384.238023	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+NH4"	18.033823
"344902"	375.7247495	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+H+NH4"	19.041099
"736593"	558.8268495	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+H+NH4"	19.041099
"1490901"	192.6226495	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H+NH4"	19.041099
"407392"	755.397618	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+Na"	22.989218
"766201"	1121.601818	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+Na"	22.989218
"1616729"	389.193418	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Na"	22.989218
"327616"	378.202447	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+H+Na"	23.996494
"718943"	561.304547	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+H+Na"	23.996494
"1470576"	195.100347	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H+Na"	23.996494
"1063456"	130.402656666667	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2H+Na"	25.00377
"1264768"	399.237686	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+CH3OH+H"	33.033486
"384450"	771.371558	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+K"	38.963158
"747633"	1137.575758	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+K"	38.963158
"1546406"	405.167358	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+K"	38.963158
"309778"	386.189417	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+H+K"	39.970434
"697099"	569.291517	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+H+K"	39.970434
"1453107"	203.087317	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H+K"	39.970434
"238426"	774.442226	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+ACN+H"	42.033826
"1219884"	408.238026	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+ACN+H"	42.033826
"1202674"	204.622651	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+ACN+2H"	43.041102
"198460"	777.37956	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+2Na-H"	44.97116
"638379"	1143.58376	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+2Na-H"	44.97116
"1144076"	411.17536	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2Na-H"	44.97116
"176796"	389.193418	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+2Na"	45.978436
"621460"	572.295518	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+2Na"	45.978436
"1118401"	206.091318	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2Na"	45.978436
"1400957"	137.729970666667	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H+2Na"	46.985712
"1432584"	413.216946	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H+HCOOH"	47.012746
"222280"	394.22644	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+3H2O+2H"	56.04448
"1510706"	427.26899	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+IsoProp+H"	61.06479
"413673"	397.180388	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+Na+K"	61.952376
"777960"	580.282488	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+Na+K"	61.952376
"1675388"	214.078288	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Na+K"	61.952376
"257536"	796.424168	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+ACN+Na"	64.015768
"1229516"	430.219968	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+ACN+Na"	64.015768
"1717308"	430.243493	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+NH4+HCOOH"	64.039293
"1179866"	145.057284666667	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+3Na"	68.967654
"1650609"	435.198888	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Na+HCOOH"	68.994688
"160509"	809.32744	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+2K-H"	76.91904
"601892"	1175.53164	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+2K-H"	76.91904
"1086768"	443.12324	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2K-H"	76.91904
"142121"	405.167358	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"2M+2K"	77.926316
"581804"	588.269458	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"3M+2K"	77.926316
"1069719"	222.065258	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2K"	77.926316
"1100135"	445.137792	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2K+H"	78.933592
"1337981"	445.225407	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+DMSO+H"	79.021207
"1008698"	449.264576	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2ACN+H"	83.060376
"1527917"	450.258208	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+IsoProp+Na+H"	84.054008
"993273"	225.135926	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+2ACN+2H"	84.067652
"1589964"	451.172828	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+K+HCOOH"	84.968628
"1414362"	481.204338	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+H+CF3COOH"	115.000138
"1152472"	245.649201	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+3ACN+2H"	125.094202
"1698742"	498.230885	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+NH4+CF3COOH"	132.026685
"1639863"	503.18628	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+Na+CF3COOH"	136.98208
"1574421"	519.16022	"C08758"	"Chaparrolide"	"C20H30O6"	"366.2042"	"M+K+CF3COOH"	152.95602
"803693"	348.1573	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M"	0
"985975"	329.13891	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"73123"	231.097590666667	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"507220"	347.150024	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"886115"	115.045157333333	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"4691"	347.150024	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"449719"	521.228674	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"826426"	173.071374	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"88604"	695.307324	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"529260"	1043.464624	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"910219"	347.150024	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"57062"	712.333871	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"497715"	1060.491171	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"871142"	364.176571	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"43419"	717.289266	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"485535"	1065.446566	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"859690"	369.131966	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1628132"	369.131966	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"104660"	365.138363	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"540943"	539.217013	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"934463"	191.059713	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"270831"	731.284002	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"668719"	1079.441302	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1275656"	383.126702	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"21491"	733.263206	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"465424"	1081.420506	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"833747"	385.105906	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1557233"	385.105906	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"951319"	393.155494	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"365159"	741.312801	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"346856"	755.328451	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1505171"	407.171151	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"972973"	415.137451	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"124670"	383.126702	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"562280"	557.205352	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1037023"	209.048052	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1257007"	427.076185	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1318585"	429.132172	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1334986"	451.114129	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"923853"	461.142886	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1302020"	497.119564	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1379450"	313.144624	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1395854"	331.1546	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"296639"	697.321876	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"685047"	1045.479176	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1361761"	349.164576	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"136471"	349.164576	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"576039"	523.243226	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1049942"	175.085926	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"218204"	233.112142666667	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"658130"	349.164576	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1176862"	117.059709333333	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"436609"	714.348423	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"800039"	1062.505723	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1695639"	366.191123	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"343672"	357.6778495	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"727707"	531.7564995	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1489183"	183.5991995	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"405312"	719.303818	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"760108"	1067.461118	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1614408"	371.146518	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"324807"	360.155547	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"715039"	534.234197	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1467764"	186.076897	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1059921"	124.387023333333	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1262691"	381.190786	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"385658"	735.277758	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"743371"	1083.435058	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1543238"	387.120458	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"302601"	368.142517	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"693199"	542.221167	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1451029"	194.063867	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"242910"	738.348426	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1218900"	390.191126	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1204967"	195.599201	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"198929"	741.28576	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"637395"	1089.44306	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1136528"	393.12846	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"176541"	371.146518	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"621568"	545.225168	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1121793"	197.067868	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1402765"	131.714337333333	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1435247"	395.170046	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"223120"	376.17954	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1511909"	409.22209	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"411595"	379.133488	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"780258"	553.212138	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1676227"	205.054838	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"257646"	760.330368	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1230355"	412.173068	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1716325"	412.196593	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1180950"	139.041651333333	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1651935"	417.151988	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"158067"	773.23364	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"600544"	1121.39094	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1086149"	425.07634	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"142720"	387.120458	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"582523"	561.199108	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1069953"	213.041808	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1103892"	427.090892	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1341371"	427.178507	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1008808"	431.217676	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1525109"	432.211308	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"991561"	216.112476	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1588006"	433.125928	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1414639"	463.157438	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1148210"	236.625751	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1702136"	480.183985	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1638880"	485.13938	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1574531"	501.11332	"C08759"	"Eurycomalactone"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"809271"	496.2308	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M"	0
"984992"	477.21241	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-H2O-H"	-19.01839
"68860"	329.813257333333	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M-3H"	-3.021828
"509519"	495.223524	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M-3H"	-3.021828
"887320"	164.402990666667	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-3H"	-3.021828
"9176"	495.223524	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M-2H"	-2.014552
"448736"	743.338924	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M-2H"	-2.014552
"827631"	247.108124	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-2H"	-2.014552
"85435"	991.454324	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M-H"	-1.007276
"530463"	1487.685124	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M-H"	-1.007276
"906078"	495.223524	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-H"	-1.007276
"57172"	1008.480871	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M-2H+NH4"	16.019271
"496733"	1504.711671	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M-2H+NH4"	16.019271
"873439"	512.250071	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-2H+NH4"	16.019271
"40249"	1013.436266	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M-2H+Na"	20.974666
"484182"	1509.667066	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M-2H+Na"	20.974666
"858708"	517.205466	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-2H+Na"	20.974666
"1629337"	517.205466	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Na-2H"	20.974666
"101490"	513.211863	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M-H+Cl"	33.962126
"546157"	761.327263	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M-H+Cl"	33.962126
"933480"	265.096463	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-H+Cl"	33.962126
"269848"	1027.431002	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+Cl"	34.969402
"669922"	1523.661802	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+Cl"	34.969402
"1276860"	531.200202	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Cl"	34.969402
"20508"	1029.410206	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M-2H+K"	36.948606
"461160"	1525.641006	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M-2H+K"	36.948606
"834951"	533.179406	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-2H+K"	36.948606
"1556979"	533.179406	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+K-2H"	36.948606
"947054"	541.228994	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-H+HCOOH"	44.998194
"366362"	1037.459801	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+HCOOH-H"	44.998201
"348059"	1051.475451	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+Hac-H"	59.013851
"1502365"	555.244651	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Hac-H"	59.013851
"972837"	563.210951	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-H+NaCOOH"	66.980151
"123203"	531.200202	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+2Cl"	69.938804
"565069"	779.315602	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+2Cl"	69.938804
"1036295"	283.084802	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2Cl"	69.938804
"1256236"	575.149685	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Br"	78.918885
"1318689"	577.205672	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Cl+HCOOH"	80.974872
"1333996"	599.187629	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Cl+NaCOOH"	102.956829
"922140"	609.216386	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M-H+CF3COOH"	112.985586
"1302130"	645.193064	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Cl+CF3COOH"	148.962264
"1378467"	461.218124	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H-2H2O"	-35.012676
"1395600"	479.2281	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H-H2O"	-17.0027
"298203"	993.468876	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+H"	1.007276
"686614"	1489.699676	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+H"	1.007276
"1361870"	497.238076	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H"	1.007276
"133665"	497.238076	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+2H"	2.014552
"576879"	745.353476	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+2H"	2.014552
"1051509"	249.122676	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2H"	2.014552
"218193"	331.827809333333	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+3H"	3.021828
"657631"	497.238076	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+3H"	3.021828
"1176364"	166.417542666667	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+3H"	3.021828
"437447"	1010.495423	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+NH4"	18.033823
"797347"	1506.726223	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+NH4"	18.033823
"1694409"	514.264623	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+NH4"	18.033823
"343050"	505.7513495	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+H+NH4"	19.041099
"730004"	753.8667495	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+H+NH4"	19.041099
"1487835"	257.6359495	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H+NH4"	19.041099
"402504"	1015.450818	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+Na"	22.989218
"761311"	1511.681618	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+Na"	22.989218
"1613787"	519.220018	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Na"	22.989218
"320541"	508.229047	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+H+Na"	23.996494
"712962"	756.344447	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+H+Na"	23.996494
"1466780"	260.113647	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H+Na"	23.996494
"1058935"	173.744856666667	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2H+Na"	25.00377
"1263891"	529.264286	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+CH3OH+H"	33.033486
"386495"	1031.424758	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+K"	38.963158
"745667"	1527.655558	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+K"	38.963158
"1545536"	535.193958	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+K"	38.963158
"305990"	516.216017	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+H+K"	39.970434
"695133"	764.331417	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+H+K"	39.970434
"1451137"	268.100617	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H+K"	39.970434
"244114"	1034.495426	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+ACN+H"	42.033826
"1220104"	538.264626	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+ACN+H"	42.033826
"1205077"	269.635951	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+ACN+2H"	43.041102
"196852"	1037.43276	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+2Na-H"	44.97116
"637505"	1533.66356	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+2Na-H"	44.97116
"1136638"	541.20196	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2Na-H"	44.97116
"177017"	519.220018	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+2Na"	45.978436
"619491"	767.335418	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+2Na"	45.978436
"1119716"	271.104618	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2Na"	45.978436
"1401419"	181.072170666667	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H+2Na"	46.985712
"1433169"	543.243546	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H+HCOOH"	47.012746
"222135"	524.25304	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+3H2O+2H"	56.04448
"1511655"	557.29559	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+IsoProp+H"	61.06479
"410246"	527.206988	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+Na+K"	61.952376
"774899"	775.322388	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+Na+K"	61.952376
"1673418"	279.091588	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Na+K"	61.952376
"255569"	1056.477368	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+ACN+Na"	64.015768
"1230464"	560.246568	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+ACN+Na"	64.015768
"1716435"	560.270093	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+NH4+HCOOH"	64.039293
"1183611"	188.399484666667	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+3Na"	68.967654
"1651680"	565.225488	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Na+HCOOH"	68.994688
"159635"	1069.38064	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+2K-H"	76.91904
"600290"	1565.61144	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+2K-H"	76.91904
"1087718"	573.14984	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2K-H"	76.91904
"145991"	535.193958	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"2M+2K"	77.926316
"583485"	783.309358	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"3M+2K"	77.926316
"1069576"	287.078558	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2K"	77.926316
"1105096"	575.164392	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2K+H"	78.933592
"1336249"	575.252007	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+DMSO+H"	79.021207
"1006607"	579.291176	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2ACN+H"	83.060376
"1525219"	580.284808	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+IsoProp+Na+H"	84.054008
"992764"	290.149226	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+2ACN+2H"	84.067652
"1590181"	581.199428	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+K+HCOOH"	84.968628
"1414749"	611.230938	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+H+CF3COOH"	115.000138
"1148684"	310.662501	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+3ACN+2H"	125.094202
"1704433"	628.257485	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+NH4+CF3COOH"	132.026685
"1638990"	633.21288	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+Na+CF3COOH"	136.98208
"1579016"	649.18682	"C08760"	"Glaucarubin"	"C25H36O10"	"496.2308"	"M+K+CF3COOH"	152.95602
"802820"	304.0947	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M"	0
"985102"	285.07631	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-H2O-H"	-19.01839
"67877"	201.722524	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M-3H"	-3.021828
"509626"	303.087424	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M-3H"	-3.021828
"890709"	100.357624	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-3H"	-3.021828
"8192"	303.087424	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M-2H"	-2.014552
"448845"	455.134774	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M-2H"	-2.014552
"828470"	151.040074	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-2H"	-2.014552
"89917"	607.182124	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M-H"	-1.007276
"531665"	911.276824	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M-H"	-1.007276
"908012"	303.087424	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-H"	-1.007276
"61779"	624.208671	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M-2H+NH4"	16.019271
"500123"	928.303371	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M-2H+NH4"	16.019271
"877923"	320.113971	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-2H+NH4"	16.019271
"45101"	629.164066	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M-2H+Na"	20.974666
"486484"	933.258766	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M-2H+Na"	20.974666
"863193"	325.069366	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-2H+Na"	20.974666
"1630176"	325.069366	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Na-2H"	20.974666
"103787"	321.075763	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M-H+Cl"	33.962126
"546631"	473.123113	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M-H+Cl"	33.962126
"935776"	169.028413	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-H+Cl"	33.962126
"273238"	643.158802	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+Cl"	34.969402
"670032"	947.253502	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+Cl"	34.969402
"1278063"	339.064102	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Cl"	34.969402
"22804"	645.138006	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M-2H+K"	36.948606
"462363"	949.232706	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M-2H+K"	36.948606
"841257"	341.043306	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-2H+K"	36.948606
"1558183"	341.043306	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+K-2H"	36.948606
"948257"	349.092894	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-H+HCOOH"	44.998194
"367565"	653.187601	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+HCOOH-H"	44.998201
"349262"	667.203251	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+Hac-H"	59.013851
"1500287"	363.108551	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Hac-H"	59.013851
"973681"	371.074851	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-H+NaCOOH"	66.980151
"124775"	339.064102	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+2Cl"	69.938804
"564331"	491.111452	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+2Cl"	69.938804
"1035682"	187.016752	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2Cl"	69.938804
"1256351"	383.013585	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Br"	78.918885
"1319654"	385.069572	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Cl+HCOOH"	80.974872
"1335086"	407.051529	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Cl+NaCOOH"	102.956829
"923344"	417.080286	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M-H+CF3COOH"	112.985586
"1301511"	453.056964	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Cl+CF3COOH"	148.962264
"1382589"	269.082024	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H-2H2O"	-35.012676
"1397533"	287.092	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H-H2O"	-17.0027
"297950"	609.196676	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+H"	1.007276
"683444"	913.291376	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+H"	1.007276
"1360886"	305.101976	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H"	1.007276
"138152"	305.101976	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+2H"	2.014552
"578810"	457.149326	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+2H"	2.014552
"1048702"	153.054626	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2H"	2.014552
"219154"	203.737076	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+3H"	3.021828
"659321"	305.101976	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+3H"	3.021828
"1176109"	102.372176	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+3H"	3.021828
"437556"	626.223223	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+NH4"	18.033823
"797457"	930.317923	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+NH4"	18.033823
"1696918"	322.128523	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+NH4"	18.033823
"343891"	313.6152495	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+H+NH4"	19.041099
"730114"	465.6625995	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+H+NH4"	19.041099
"1487946"	161.5678995	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H+NH4"	19.041099
"406623"	631.178618	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+Na"	22.989218
"763608"	935.273318	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+Na"	22.989218
"1613897"	327.083918	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Na"	22.989218
"321744"	316.092947	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+H+Na"	23.996494
"713071"	468.140297	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+H+Na"	23.996494
"1464704"	164.045597	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H+Na"	23.996494
"1057219"	109.69949	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2H+Na"	25.00377
"1264001"	337.128186	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+CH3OH+H"	33.033486
"391947"	647.152558	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+K"	38.963158
"749060"	951.247258	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+K"	38.963158
"1548925"	343.057858	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+K"	38.963158
"309379"	324.079917	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+H+K"	39.970434
"700707"	476.127267	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+H+K"	39.970434
"1456714"	172.032567	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H+K"	39.970434
"246408"	650.223226	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+ACN+H"	42.033826
"1223373"	346.128526	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+ACN+H"	42.033826
"1208346"	173.567901	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+ACN+2H"	43.041102
"200242"	653.16056	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+2Na-H"	44.97116
"637615"	957.25526	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+2Na-H"	44.97116
"1140028"	349.06586	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2Na-H"	44.97116
"182229"	327.083918	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+2Na"	45.978436
"622881"	479.131268	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+2Na"	45.978436
"1123106"	175.036568	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2Na"	45.978436
"1403352"	117.026804	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H+2Na"	46.985712
"1435467"	351.107446	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H+HCOOH"	47.012746
"224070"	332.11694	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+3H2O+2H"	56.04448
"1511766"	365.15949	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+IsoProp+H"	61.06479
"411087"	335.070888	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+Na+K"	61.952376
"778289"	487.118238	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+Na+K"	61.952376
"1679363"	183.023538	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Na+K"	61.952376
"260052"	672.205168	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+ACN+Na"	64.015768
"1237134"	368.110468	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+ACN+Na"	64.015768
"1716180"	368.133993	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+NH4+HCOOH"	64.039293
"1184815"	124.354118	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+3Na"	68.967654
"1652520"	373.089388	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Na+HCOOH"	68.994688
"161569"	685.10844	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+2K-H"	76.91904
"600036"	989.20314	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+2K-H"	76.91904
"1087828"	381.01374	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2K-H"	76.91904
"144644"	343.057858	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"2M+2K"	77.926316
"585297"	495.105208	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"3M+2K"	77.926316
"1070903"	191.010508	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2K"	77.926316
"1106300"	383.028292	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2K+H"	78.933592
"1340500"	383.115907	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+DMSO+H"	79.021207
"1006839"	387.155076	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2ACN+H"	83.060376
"1526788"	388.148708	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+IsoProp+Na+H"	84.054008
"991412"	194.081176	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+2ACN+2H"	84.067652
"1590291"	389.063328	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+K+HCOOH"	84.968628
"1417045"	419.094838	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+H+CF3COOH"	115.000138
"1152802"	214.594451	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+3ACN+2H"	125.094202
"1704543"	436.121385	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+NH4+CF3COOH"	132.026685
"1635819"	441.07678	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+Na+CF3COOH"	136.98208
"1579126"	457.05072	"C08761"	"6-Methoxy-alpha-pyrufuran"	"C16H16O6"	"304.0947"	"M+K+CF3COOH"	152.95602
"809491"	230.0943	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M"	0
"987400"	211.07591	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"74549"	152.388924	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"509736"	229.087024	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"888634"	75.690824	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"12677"	229.087024	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"448956"	344.134174	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"827851"	114.039874	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"90028"	459.181324	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"528494"	689.275624	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"906299"	229.087024	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"54111"	476.207871	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"495858"	706.302171	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"874753"	246.113571	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"42652"	481.163266	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"483306"	711.257566	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"862208"	251.068966	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1624084"	251.068966	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"102801"	247.075363	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"549948"	362.122513	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"938803"	132.028213	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"273350"	495.158002	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"672695"	725.252302	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1279267"	265.063702	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"29476"	497.137206	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"469034"	727.231506	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"841368"	267.042906	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1562667"	267.042906	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"943382"	275.092494	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"363299"	505.186801	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"349372"	519.202451	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1498574"	289.108151	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"973791"	297.074451	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"124155"	265.063702	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"564563"	380.110852	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1036399"	150.016552	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1256999"	309.013185	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1319279"	311.069172	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1334590"	333.051129	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"926499"	343.079886	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1302721"	379.056564	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1381730"	195.081624	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1396186"	213.0916	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"297330"	461.195876	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"687931"	691.290176	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1365008"	231.101576	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"140694"	231.101576	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"579649"	346.148726	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1050999"	116.054426	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"218536"	154.403476	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"658462"	231.101576	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1176586"	77.705376	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"438640"	478.222423	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"800123"	708.316723	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1696737"	248.128123	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"344364"	239.6148495	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"728035"	354.6619995	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1488417"	124.5676995	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"401629"	483.177818	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"758250"	713.272118	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1614007"	253.083518	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"321854"	242.092547	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"713181"	357.139697	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1465907"	127.045397	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1059151"	85.03269	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1261924"	263.127786	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"392061"	499.151758	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"751356"	729.246058	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1550128"	269.057458	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"311676"	250.079517	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"700817"	365.126667	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1460104"	135.032367	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"250772"	502.222426	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1225184"	272.128126	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1209552"	136.567701	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"197072"	505.15976	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"634445"	735.25406	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1140138"	275.06546	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"184526"	253.083518	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"622991"	368.130668	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1123216"	138.036368	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1406742"	92.360004	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1435577"	277.107046	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"226368"	258.11654	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1513335"	291.15909	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"411926"	261.070488	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"781679"	376.117638	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1680201"	146.023338	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"257975"	524.204368	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1235057"	294.110068	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1719570"	294.133593	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1182739"	99.687318	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1655912"	299.088988	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"160586"	537.10764	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"603428"	767.20194	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1086845"	307.01334	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"145848"	269.057458	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"584315"	384.104608	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1074295"	154.010308	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1106412"	309.027892	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1338785"	309.115507	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1009501"	313.154676	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1528723"	314.148308	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"991887"	157.080976	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1591495"	315.062928	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1417155"	345.094438	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1151819"	177.594251	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1701370"	362.120985	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1639210"	367.07638	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1579236"	383.05032	"C08762"	"6-O-Methyleuparin;1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"801481"	494.2152	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M"	0
"988603"	475.19681	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-H2O-H"	-19.01839
"69190"	328.469524	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M-3H"	-3.021828
"504864"	493.207924	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M-3H"	-3.021828
"886556"	163.731124	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-3H"	-3.021828
"6225"	493.207924	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M-2H"	-2.014552
"446879"	740.315524	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M-2H"	-2.014552
"824679"	246.100324	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-2H"	-2.014552
"89044"	987.423124	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M-H"	-1.007276
"528605"	1481.638324	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M-H"	-1.007276
"899846"	493.207924	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-H"	-1.007276
"54221"	1004.449671	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M-2H+NH4"	16.019271
"495968"	1498.664871	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M-2H+NH4"	16.019271
"875956"	510.234471	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-2H+NH4"	16.019271
"40576"	1009.405066	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M-2H+Na"	20.974666
"483416"	1503.620266	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M-2H+Na"	20.974666
"859038"	515.189866	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-2H+Na"	20.974666
"1622007"	515.189866	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Na-2H"	20.974666
"101818"	511.196263	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M-H+Cl"	33.962126
"549889"	758.303863	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M-H+Cl"	33.962126
"932717"	264.088663	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-H+Cl"	33.962126
"276740"	1023.399802	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+Cl"	34.969402
"673533"	1517.615002	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+Cl"	34.969402
"1277190"	529.184602	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Cl"	34.969402
"28493"	1025.379006	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M-2H+K"	36.948606
"468051"	1519.594206	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M-2H+K"	36.948606
"840385"	531.163806	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-2H+K"	36.948606
"1561684"	531.163806	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+K-2H"	36.948606
"943128"	539.213394	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-H+HCOOH"	44.998194
"362194"	1033.428601	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+HCOOH-H"	44.998201
"349482"	1047.444251	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+Hac-H"	59.013851
"1502690"	553.229051	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Hac-H"	59.013851
"973536"	561.195351	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-H+NaCOOH"	66.980151
"124994"	529.184602	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+2Cl"	69.938804
"565582"	776.292202	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+2Cl"	69.938804
"1036385"	282.077002	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2Cl"	69.938804
"1256741"	573.134085	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Br"	78.918885
"1319754"	575.190072	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Cl+HCOOH"	80.974872
"1335064"	597.172029	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Cl+NaCOOH"	102.956829
"926727"	607.200786	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M-H+CF3COOH"	112.985586
"1303800"	643.177464	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Cl+CF3COOH"	148.962264
"1380260"	459.202524	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H-2H2O"	-35.012676
"1397754"	477.2125	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H-H2O"	-17.0027
"295619"	989.437676	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+H"	1.007276
"687312"	1483.652876	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+H"	1.007276
"1365484"	495.222476	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H"	1.007276
"141127"	495.222476	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+2H"	2.014552
"579030"	742.330076	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+2H"	2.014552
"1050016"	248.114876	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2H"	2.014552
"219374"	330.484076	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+3H"	3.021828
"659299"	495.222476	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+3H"	3.021828
"1176696"	165.745676	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+3H"	3.021828
"437777"	1006.464223	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+NH4"	18.033823
"799136"	1500.679423	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+NH4"	18.033823
"1695467"	512.249023	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+NH4"	18.033823
"339006"	503.7357495	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+H+NH4"	19.041099
"727052"	750.8433495	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+H+NH4"	19.041099
"1487434"	256.6281495	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H+NH4"	19.041099
"400646"	1011.419618	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+Na"	22.989218
"758360"	1505.634818	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+Na"	22.989218
"1613753"	517.204418	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Na"	22.989218
"319778"	506.213447	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+H+Na"	23.996494
"713291"	753.321047	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+H+Na"	23.996494
"1463831"	259.105847	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H+Na"	23.996494
"1055982"	173.07299	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2H+Na"	25.00377
"1259119"	527.248686	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+CH3OH+H"	33.033486
"392659"	1027.393558	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+K"	38.963158
"753855"	1521.608758	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+K"	38.963158
"1553517"	533.178358	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+K"	38.963158
"310693"	514.200417	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+H+K"	39.970434
"704208"	761.308017	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+H+K"	39.970434
"1455840"	267.092817	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H+K"	39.970434
"247724"	1030.464226	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+ACN+H"	42.033826
"1222620"	536.249026	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+ACN+H"	42.033826
"1209053"	268.628151	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+ACN+2H"	43.041102
"197182"	1033.40156	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+2Na-H"	44.97116
"634555"	1527.61676	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+2Na-H"	44.97116
"1144622"	539.18636	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2Na-H"	44.97116
"185729"	517.204418	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+2Na"	45.978436
"623103"	764.312018	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+2Na"	45.978436
"1125515"	270.096818	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2Na"	45.978436
"1400292"	180.400304	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H+2Na"	46.985712
"1432771"	541.227946	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H+HCOOH"	47.012746
"223198"	522.23744	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+3H2O+2H"	56.04448
"1512352"	555.27999	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+IsoProp+H"	61.06479
"411672"	525.191388	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+Na+K"	61.952376
"781789"	772.298988	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+Na+K"	61.952376
"1679947"	278.083788	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Na+K"	61.952376
"265381"	1052.446168	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+ACN+Na"	64.015768
"1240636"	558.230968	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+ACN+Na"	64.015768
"1728150"	558.254493	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+NH4+HCOOH"	64.039293
"1188318"	187.727618	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+3Na"	68.967654
"1659302"	563.209888	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Na+HCOOH"	68.994688
"161789"	1065.34944	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+2K-H"	76.91904
"604630"	1559.56464	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+2K-H"	76.91904
"1088048"	571.13424	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2K-H"	76.91904
"143890"	533.178358	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"2M+2K"	77.926316
"585518"	780.285958	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"3M+2K"	77.926316
"1074405"	286.070758	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2K"	77.926316
"1105428"	573.148792	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2K+H"	78.933592
"1339624"	573.236407	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+DMSO+H"	79.021207
"1009611"	577.275576	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2ACN+H"	83.060376
"1530655"	578.269208	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+IsoProp+Na+H"	84.054008
"991633"	289.141426	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+2ACN+2H"	84.067652
"1591605"	579.183828	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+K+HCOOH"	84.968628
"1417265"	609.215338	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+H+CF3COOH"	115.000138
"1151929"	309.654701	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+3ACN+2H"	125.094202
"1700386"	626.241885	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+NH4+CF3COOH"	132.026685
"1639320"	631.19728	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+Na+CF3COOH"	136.98208
"1579346"	647.17122	"C08763"	"Glaucarubinone"	"C25H34O10"	"494.2152"	"M+K+CF3COOH"	152.95602
"803150"	394.1628	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M"	0
"988349"	375.14441	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-H2O-H"	-19.01839
"69301"	261.767924	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M-3H"	-3.021828
"509957"	393.155524	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M-3H"	-3.021828
"887760"	130.380324	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-3H"	-3.021828
"12533"	393.155524	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M-2H"	-2.014552
"449176"	590.236924	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M-2H"	-2.014552
"826975"	196.074124	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-2H"	-2.014552
"90248"	787.318324	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M-H"	-1.007276
"531876"	1181.481124	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M-H"	-1.007276
"905424"	393.155524	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-H"	-1.007276
"55424"	804.344871	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M-2H+NH4"	16.019271
"500089"	1198.507671	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M-2H+NH4"	16.019271
"871692"	410.182071	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-2H+NH4"	16.019271
"38499"	809.300266	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M-2H+Na"	20.974666
"484499"	1203.463066	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M-2H+Na"	20.974666
"854772"	415.137466	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-2H+Na"	20.974666
"1620295"	415.137466	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Na-2H"	20.974666
"98648"	411.143863	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M-H+Cl"	33.962126
"541491"	608.225263	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M-H+Cl"	33.962126
"936107"	214.062463	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-H+Cl"	33.962126
"276851"	823.295002	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+Cl"	34.969402
"672915"	1217.457802	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+Cl"	34.969402
"1275114"	429.132202	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Cl"	34.969402
"28968"	825.274206	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M-2H+K"	36.948606
"469984"	1219.437006	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M-2H+K"	36.948606
"842682"	431.111406	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-2H+K"	36.948606
"1562888"	431.111406	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+K-2H"	36.948606
"947494"	439.160994	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-H+HCOOH"	44.998194
"363522"	833.323801	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+HCOOH-H"	44.998201
"348499"	847.339451	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+Hac-H"	59.013851
"1498428"	453.176651	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Hac-H"	59.013851
"973406"	461.142951	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-H+NaCOOH"	66.980151
"125346"	429.132202	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+2Cl"	69.938804
"565268"	626.213602	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+2Cl"	69.938804
"1036010"	232.050802	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2Cl"	69.938804
"1256763"	473.081685	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Br"	78.918885
"1319864"	475.137672	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Cl+HCOOH"	80.974872
"1335052"	497.119629	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Cl+NaCOOH"	102.956829
"926882"	507.148386	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M-H+CF3COOH"	112.985586
"1304076"	543.125064	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Cl+CF3COOH"	148.962264
"1382572"	359.150124	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H-2H2O"	-35.012676
"1396770"	377.1601	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H-H2O"	-17.0027
"296094"	789.332876	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+H"	1.007276
"689974"	1183.495676	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+H"	1.007276
"1365229"	395.170076	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H"	1.007276
"141240"	395.170076	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+2H"	2.014552
"578774"	592.251476	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+2H"	2.014552
"1050854"	198.088676	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2H"	2.014552
"217662"	263.782476	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+3H"	3.021828
"659044"	395.170076	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+3H"	3.021828
"1176442"	132.394876	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+3H"	3.021828
"437890"	806.359423	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+NH4"	18.033823
"797788"	1200.522223	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+NH4"	18.033823
"1693391"	412.196623	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+NH4"	18.033823
"339116"	403.6833495	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+H+NH4"	19.041099
"724976"	600.7647495	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+H+NH4"	19.041099
"1485358"	206.6019495	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H+NH4"	19.041099
"398570"	811.314818	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+Na"	22.989218
"756284"	1205.477618	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+Na"	22.989218
"1613134"	417.152018	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Na"	22.989218
"318795"	406.161047	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+H+Na"	23.996494
"708056"	603.242447	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+H+Na"	23.996494
"1466127"	209.079647	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H+Na"	23.996494
"1058281"	139.72219	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2H+Na"	25.00377
"1259958"	427.196286	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+CH3OH+H"	33.033486
"392160"	827.288758	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+K"	38.963158
"752304"	1221.451558	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+K"	38.963158
"1552534"	433.125958	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+K"	38.963158
"308615"	414.148017	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+H+K"	39.970434
"701037"	611.229417	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+H+K"	39.970434
"1451576"	217.066617	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H+K"	39.970434
"247832"	830.359426	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+ACN+H"	42.033826
"1219448"	436.196626	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+ACN+H"	42.033826
"1204424"	218.601951	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+ACN+2H"	43.041102
"196199"	833.29676	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+2Na-H"	44.97116
"633206"	1227.45956	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+2Na-H"	44.97116
"1141453"	439.13396	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2Na-H"	44.97116
"184382"	417.152018	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+2Na"	45.978436
"623212"	614.233418	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+2Na"	45.978436
"1122344"	220.070618	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2Na"	45.978436
"1400402"	147.049504	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H+2Na"	46.985712
"1432517"	441.175546	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H+HCOOH"	47.012746
"220753"	422.18504	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+3H2O+2H"	56.04448
"1509910"	455.22759	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+IsoProp+H"	61.06479
"409962"	425.138988	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+Na+K"	61.952376
"782994"	622.220388	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+Na+K"	61.952376
"1679941"	228.057588	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Na+K"	61.952376
"266218"	852.341368	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+ACN+Na"	64.015768
"1240382"	458.178568	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+ACN+Na"	64.015768
"1727692"	458.202093	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+NH4+HCOOH"	64.039293
"1186241"	154.376818	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+3Na"	68.967654
"1657225"	463.157488	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Na+HCOOH"	68.994688
"161899"	865.24464	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+2K-H"	76.91904
"601459"	1259.40744	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+2K-H"	76.91904
"1091439"	471.08184	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2K-H"	76.91904
"144972"	433.125958	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"2M+2K"	77.926316
"584535"	630.207358	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"3M+2K"	77.926316
"1073785"	236.044558	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2K"	77.926316
"1105537"	473.096392	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2K+H"	78.933592
"1341192"	473.184007	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+DMSO+H"	79.021207
"1007532"	477.223176	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2ACN+H"	83.060376
"1526755"	478.216808	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+IsoProp+Na+H"	84.054008
"991500"	239.115226	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+2ACN+2H"	84.067652
"1590623"	479.131428	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+K+HCOOH"	84.968628
"1420657"	509.162938	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+H+CF3COOH"	115.000138
"1150948"	259.628501	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+3ACN+2H"	125.094202
"1703780"	526.189485	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+NH4+CF3COOH"	132.026685
"1639430"	531.14488	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+Na+CF3COOH"	136.98208
"1579456"	547.11882	"C08764"	"Glaucarubolone"	"C20H26O8"	"394.1628"	"M+K+CF3COOH"	152.95602
"801633"	446.2305	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M"	0
"982262"	427.21211	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-H2O-H"	-19.01839
"68317"	296.479724	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M-3H"	-3.021828
"507881"	445.223224	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M-3H"	-3.021828
"884590"	147.736224	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-3H"	-3.021828
"5352"	445.223224	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M-2H"	-2.014552
"447099"	668.338474	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M-2H"	-2.014552
"825992"	222.107974	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-2H"	-2.014552
"90357"	891.453724	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M-H"	-1.007276
"529919"	1337.684224	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M-H"	-1.007276
"900430"	445.223224	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-H"	-1.007276
"53347"	908.480271	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M-2H+NH4"	16.019271
"494365"	1354.710771	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M-2H+NH4"	16.019271
"868522"	462.249771	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-2H+NH4"	16.019271
"38609"	913.435666	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M-2H+Na"	20.974666
"482543"	1359.666166	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M-2H+Na"	20.974666
"854882"	467.205166	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-2H+Na"	20.974666
"1620769"	467.205166	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Na-2H"	20.974666
"98758"	463.211563	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M-H+Cl"	33.962126
"537228"	686.326813	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M-H+Cl"	33.962126
"937311"	240.096313	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-H+Cl"	33.962126
"278053"	927.430402	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+Cl"	34.969402
"670473"	1373.660902	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+Cl"	34.969402
"1278504"	481.199902	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Cl"	34.969402
"28351"	929.409606	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M-2H+K"	36.948606
"467178"	1375.640106	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M-2H+K"	36.948606
"842792"	483.179106	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-2H+K"	36.948606
"1560811"	483.179106	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+K-2H"	36.948606
"947604"	491.228694	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-H+HCOOH"	44.998194
"363632"	937.459201	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+HCOOH-H"	44.998201
"348609"	951.474851	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+Hac-H"	59.013851
"1497445"	505.244351	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Hac-H"	59.013851
"974080"	513.210651	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-H+NaCOOH"	66.980151
"124851"	481.199902	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+2Cl"	69.938804
"565501"	704.315152	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+2Cl"	69.938804
"1036120"	258.084652	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2Cl"	69.938804
"1257026"	525.149385	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Br"	78.918885
"1319123"	527.205372	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Cl+HCOOH"	80.974872
"1334918"	549.187329	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Cl+NaCOOH"	102.956829
"926953"	559.216086	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M-H+CF3COOH"	112.985586
"1304111"	595.192764	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Cl+CF3COOH"	148.962264
"1382549"	411.217824	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H-2H2O"	-35.012676
"1397371"	429.2278	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H-H2O"	-17.0027
"296565"	893.468276	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+H"	1.007276
"690082"	1339.698776	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+H"	1.007276
"1365583"	447.237776	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H"	1.007276
"140943"	447.237776	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+2H"	2.014552
"575603"	670.353026	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+2H"	2.014552
"1047318"	224.122526	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2H"	2.014552
"213760"	298.494276	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+3H"	3.021828
"656967"	447.237776	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+3H"	3.021828
"1175823"	149.750776	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+3H"	3.021828
"436907"	910.494823	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+NH4"	18.033823
"797898"	1356.725323	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+NH4"	18.033823
"1694229"	464.264323	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+NH4"	18.033823
"339226"	455.7510495	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+H+NH4"	19.041099
"724721"	678.8662995	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+H+NH4"	19.041099
"1482188"	232.6357995	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H+NH4"	19.041099
"395400"	915.450218	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+Na"	22.989218
"754811"	1361.680718	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+Na"	22.989218
"1606683"	469.219718	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Na"	22.989218
"318905"	458.228747	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+H+Na"	23.996494
"707922"	681.343997	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+H+Na"	23.996494
"1464050"	235.113497	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H+Na"	23.996494
"1054137"	157.07809	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2H+Na"	25.00377
"1258973"	479.263986	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+CH3OH+H"	33.033486
"392026"	931.424158	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+K"	38.963158
"751685"	1377.654658	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+K"	38.963158
"1549364"	485.193658	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+K"	38.963158
"307632"	466.215717	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+H+K"	39.970434
"702240"	689.330967	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+H+K"	39.970434
"1450592"	243.100467	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H+K"	39.970434
"244661"	934.494826	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+ACN+H"	42.033826
"1219555"	488.264326	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+ACN+H"	42.033826
"1204533"	244.635801	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+ACN+2H"	43.041102
"196309"	937.43216	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+2Na-H"	44.97116
"632587"	1383.66266	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+2Na-H"	44.97116
"1134635"	491.20166	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2Na-H"	44.97116
"177562"	469.219718	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+2Na"	45.978436
"622958"	692.334968	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+2Na"	45.978436
"1119174"	246.104468	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2Na"	45.978436
"1400876"	164.405404	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H+2Na"	46.985712
"1432627"	493.243246	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H+HCOOH"	47.012746
"220618"	474.25274	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+3H2O+2H"	56.04448
"1509648"	507.29529	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+IsoProp+H"	61.06479
"409582"	477.206688	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+Na+K"	61.952376
"783104"	700.321938	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+Na+K"	61.952376
"1680415"	254.091438	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Na+K"	61.952376
"261587"	956.476768	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+ACN+Na"	64.015768
"1237941"	510.246268	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+ACN+Na"	64.015768
"1727074"	510.269793	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+NH4+HCOOH"	64.039293
"1186348"	171.732718	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+3Na"	68.967654
"1659522"	515.225188	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Na+HCOOH"	68.994688
"164197"	969.38004	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+2K-H"	76.91904
"601203"	1415.61054	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+2K-H"	76.91904
"1089363"	523.14954	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2K-H"	76.91904
"145085"	485.193658	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"2M+2K"	77.926316
"585739"	708.308908	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"3M+2K"	77.926316
"1071709"	262.078408	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2K"	77.926316
"1105647"	525.164092	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2K+H"	78.933592
"1340939"	525.251707	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+DMSO+H"	79.021207
"1007644"	529.290876	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2ACN+H"	83.060376
"1527958"	530.284508	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+IsoProp+Na+H"	84.054008
"992948"	265.149076	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+2ACN+2H"	84.067652
"1591827"	531.199128	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+K+HCOOH"	84.968628
"1419674"	561.230638	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+H+CF3COOH"	115.000138
"1151058"	285.662351	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+3ACN+2H"	125.094202
"1703890"	578.257185	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+NH4+CF3COOH"	132.026685
"1639540"	583.21258	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+Na+CF3COOH"	136.98208
"1579566"	599.18652	"C08765"	"Glycinoeclepin A"	"C25H34O7"	"446.2305"	"M+K+CF3COOH"	152.95602
"806650"	516.1995	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M"	0
"984559"	497.18111	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-H2O-H"	-19.01839
"76080"	343.125724	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M-3H"	-3.021828
"509083"	515.192224	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M-3H"	-3.021828
"889073"	171.059224	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-3H"	-3.021828
"11658"	515.192224	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M-2H"	-2.014552
"451581"	773.291974	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M-2H"	-2.014552
"832680"	257.092474	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-2H"	-2.014552
"93383"	1031.391724	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M-H"	-1.007276
"532215"	1547.591224	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M-H"	-1.007276
"900904"	515.192224	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-H"	-1.007276
"56737"	1048.418271	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M-2H+NH4"	16.019271
"492652"	1564.617771	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M-2H+NH4"	16.019271
"873005"	532.218771	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-2H+NH4"	16.019271
"36896"	1053.373666	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M-2H+Na"	20.974666
"480466"	1569.573166	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M-2H+Na"	20.974666
"852804"	537.174166	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-2H+Na"	20.974666
"1622337"	537.174166	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Na-2H"	20.974666
"98868"	533.180563	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M-H+Cl"	33.962126
"542804"	791.280313	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M-H+Cl"	33.962126
"936328"	275.080813	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-H+Cl"	33.962126
"277070"	1067.368402	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+Cl"	34.969402
"672770"	1583.567902	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+Cl"	34.969402
"1277521"	551.168902	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Cl"	34.969402
"26636"	1069.347606	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M-2H+K"	36.948606
"469475"	1585.547106	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M-2H+K"	36.948606
"842902"	553.148106	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-2H+K"	36.948606
"1563108"	553.148106	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+K-2H"	36.948606
"947714"	561.197694	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-H+HCOOH"	44.998194
"365928"	1077.397201	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+HCOOH-H"	44.998201
"349812"	1091.412851	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+Hac-H"	59.013851
"1497549"	575.213351	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Hac-H"	59.013851
"962904"	583.179651	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-H+NaCOOH"	66.980151
"125207"	551.168902	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+2Cl"	69.938804
"565245"	809.268652	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+2Cl"	69.938804
"1035500"	293.069152	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2Cl"	69.938804
"1255077"	595.118385	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Br"	78.918885
"1319477"	597.174372	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Cl+HCOOH"	80.974872
"1334419"	619.156329	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Cl+NaCOOH"	102.956829
"926778"	629.185086	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M-H+CF3COOH"	112.985586
"1303896"	665.161764	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Cl+CF3COOH"	148.962264
"1382578"	481.186824	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H-2H2O"	-35.012676
"1398007"	499.1968	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H-H2O"	-17.0027
"297528"	1033.406276	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+H"	1.007276
"691005"	1549.605776	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+H"	1.007276
"1363619"	517.206776	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H"	1.007276
"141284"	517.206776	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+2H"	2.014552
"575348"	775.306526	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+2H"	2.014552
"1047064"	259.107026	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2H"	2.014552
"213870"	345.140276	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+3H"	3.021828
"657076"	517.206776	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+3H"	3.021828
"1175569"	173.073776	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+3H"	3.021828
"437015"	1050.432823	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+NH4"	18.033823
"798008"	1566.632323	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+NH4"	18.033823
"1687777"	534.233323	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+NH4"	18.033823
"340429"	525.7200495	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+H+NH4"	19.041099
"725560"	783.8197995	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+H+NH4"	19.041099
"1482298"	267.6202995	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H+NH4"	19.041099
"396238"	1055.388218	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+Na"	22.989218
"756138"	1571.587718	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+Na"	22.989218
"1606793"	539.188718	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Na"	22.989218
"317921"	528.197747	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+H+Na"	23.996494
"708885"	786.297497	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+H+Na"	23.996494
"1463432"	270.097997	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H+Na"	23.996494
"1055219"	180.40109	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2H+Na"	25.00377
"1262373"	549.232986	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+CH3OH+H"	33.033486
"388611"	1071.362158	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+K"	38.963158
"746326"	1587.561658	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+K"	38.963158
"1551659"	555.162658	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+K"	38.963158
"306648"	536.184717	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+H+K"	39.970434
"703442"	794.284467	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+H+K"	39.970434
"1453983"	278.084967	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H+K"	39.970434
"248052"	1074.432826	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+ACN+H"	42.033826
"1222829"	558.233326	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+ACN+H"	42.033826
"1207198"	279.620301	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+ACN+2H"	43.041102
"201162"	1077.37016	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+2Na-H"	44.97116
"640357"	1593.56966	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+2Na-H"	44.97116
"1138756"	561.17066	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2Na-H"	44.97116
"184602"	539.188718	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+2Na"	45.978436
"623432"	797.288468	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+2Na"	45.978436
"1121474"	281.088968	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2Na"	45.978436
"1400252"	187.728404	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H+2Na"	46.985712
"1431154"	563.212246	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H+HCOOH"	47.012746
"221704"	544.22174	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+3H2O+2H"	56.04448
"1513780"	577.26429	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+IsoProp+H"	61.06479
"414192"	547.175688	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+Na+K"	61.952376
"775558"	805.275438	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+Na+K"	61.952376
"1680767"	289.075938	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Na+K"	61.952376
"266436"	1096.414768	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+ACN+Na"	64.015768
"1240238"	580.215268	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+ACN+Na"	64.015768
"1727426"	580.238793	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+NH4+HCOOH"	64.039293
"1190468"	195.055718	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+3Na"	68.967654
"1659631"	585.194188	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Na+HCOOH"	68.994688
"165400"	1109.31804	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+2K-H"	76.91904
"602772"	1625.51754	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+2K-H"	76.91904
"1092753"	593.11854	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2K-H"	76.91904
"145195"	555.162658	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"2M+2K"	77.926316
"589129"	813.262408	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"3M+2K"	77.926316
"1073642"	297.062908	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2K"	77.926316
"1106853"	595.133092	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2K+H"	78.933592
"1341049"	595.220707	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+DMSO+H"	79.021207
"1007754"	599.259876	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2ACN+H"	83.060376
"1526974"	600.253508	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+IsoProp+Na+H"	84.054008
"991355"	300.133576	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+2ACN+2H"	84.067652
"1590841"	601.168128	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+K+HCOOH"	84.968628
"1419783"	631.199638	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+H+CF3COOH"	115.000138
"1153356"	320.646851	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+3ACN+2H"	125.094202
"1707280"	648.226185	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+NH4+CF3COOH"	132.026685
"1645117"	653.18158	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+Na+CF3COOH"	136.98208
"1574207"	669.15552	"C08766"	"Harrisonin"	"C27H32O10"	"516.1995"	"M+K+CF3COOH"	152.95602
"804573"	532.2308	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M"	0
"985762"	513.21241	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-H2O-H"	-19.01839
"75097"	353.813257333333	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M-3H"	-3.021828
"510286"	531.223524	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M-3H"	-3.021828
"893556"	176.402990666667	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-3H"	-3.021828
"12131"	531.223524	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M-2H"	-2.014552
"455650"	797.338924	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M-2H"	-2.014552
"832724"	265.108124	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-2H"	-2.014552
"93493"	1063.454324	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M-H"	-1.007276
"532324"	1595.685124	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M-H"	-1.007276
"906846"	531.223524	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-H"	-1.007276
"54660"	1080.480871	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M-2H+NH4"	16.019271
"492034"	1612.711671	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M-2H+NH4"	16.019271
"869835"	548.250071	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-2H+NH4"	16.019271
"38829"	1085.436266	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M-2H+Na"	20.974666
"480576"	1617.667066	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M-2H+Na"	20.974666
"852550"	553.205466	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-2H+Na"	20.974666
"1622083"	553.205466	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Na-2H"	20.974666
"98978"	549.211863	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M-H+Cl"	33.962126
"542914"	815.327263	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M-H+Cl"	33.962126
"936438"	283.096463	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-H+Cl"	33.962126
"278273"	1099.431002	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+Cl"	34.969402
"673609"	1631.661802	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+Cl"	34.969402
"1274351"	567.200202	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Cl"	34.969402
"28933"	1101.410206	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M-2H+K"	36.948606
"467398"	1633.641006	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M-2H+K"	36.948606
"843012"	569.179406	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-2H+K"	36.948606
"1564311"	569.179406	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+K-2H"	36.948606
"946730"	577.228994	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-H+HCOOH"	44.998194
"363851"	1109.459801	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+HCOOH-H"	44.998201
"349192"	1123.475451	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+Hac-H"	59.013851
"1496566"	591.244651	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Hac-H"	59.013851
"966294"	599.210951	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-H+NaCOOH"	66.980151
"125640"	567.200202	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+2Cl"	69.938804
"564507"	833.315602	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+2Cl"	69.938804
"1034516"	301.084802	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2Cl"	69.938804
"1256282"	611.149685	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Br"	78.918885
"1319223"	613.205672	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Cl+HCOOH"	80.974872
"1335381"	635.187629	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Cl+NaCOOH"	102.956829
"926925"	645.216386	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M-H+CF3COOH"	112.985586
"1304035"	681.193064	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Cl+CF3COOH"	148.962264
"1382277"	497.218124	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H-2H2O"	-35.012676
"1397464"	515.2281	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H-H2O"	-17.0027
"296056"	1065.468876	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+H"	1.007276
"687383"	1597.699676	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+H"	1.007276
"1362273"	533.238076	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H"	1.007276
"139907"	533.238076	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+2H"	2.014552
"573635"	799.353476	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+2H"	2.014552
"1047174"	267.122676	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2H"	2.014552
"215073"	355.827809333333	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+3H"	3.021828
"657187"	533.238076	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+3H"	3.021828
"1175677"	178.417542666667	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+3H"	3.021828
"436033"	1082.495423	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+NH4"	18.033823
"798847"	1614.726223	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+NH4"	18.033823
"1687887"	550.264623	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+NH4"	18.033823
"340539"	541.7513495	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+H+NH4"	19.041099
"727493"	807.8667495	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+H+NH4"	19.041099
"1480218"	275.6359495	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H+NH4"	19.041099
"394522"	1087.450818	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+Na"	22.989218
"756977"	1619.681618	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+Na"	22.989218
"1609090"	555.220018	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Na"	22.989218
"319125"	544.229047	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+H+Na"	23.996494
"709721"	810.344447	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+H+Na"	23.996494
"1463542"	278.113647	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H+Na"	23.996494
"1054965"	185.744856666667	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2H+Na"	25.00377
"1264669"	565.264286	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+CH3OH+H"	33.033486
"390908"	1103.424758	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+K"	38.963158
"748623"	1635.655558	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+K"	38.963158
"1547395"	571.193958	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+K"	38.963158
"306758"	552.216017	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+H+K"	39.970434
"701365"	818.331417	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+H+K"	39.970434
"1452999"	286.100617	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H+K"	39.970434
"248162"	1106.495426	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+ACN+H"	42.033826
"1220872"	574.264626	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+ACN+H"	42.033826
"1202567"	287.635951	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+ACN+2H"	43.041102
"201999"	1109.43276	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+2Na-H"	44.97116
"639373"	1641.66356	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+2Na-H"	44.97116
"1140689"	577.20196	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2Na-H"	44.97116
"179239"	555.220018	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+2Na"	45.978436
"621356"	821.335418	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+2Na"	45.978436
"1122677"	289.104618	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2Na"	45.978436
"1401825"	193.072170666667	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H+2Na"	46.985712
"1430210"	579.243546	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H+HCOOH"	47.012746
"221086"	560.25304	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+3H2O+2H"	56.04448
"1516076"	593.29559	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+IsoProp+H"	61.06479
"413574"	563.206988	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+Na+K"	61.952376
"778947"	829.322388	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+Na+K"	61.952376
"1674917"	297.091588	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Na+K"	61.952376
"265453"	1128.477368	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+ACN+Na"	64.015768
"1240593"	596.246568	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+ACN+Na"	64.015768
"1728252"	596.270093	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+NH4+HCOOH"	64.039293
"1191672"	200.399484666667	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+3Na"	68.967654
"1658648"	601.225488	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Na+HCOOH"	68.994688
"166603"	1141.38064	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+2K-H"	76.91904
"602882"	1673.61144	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+2K-H"	76.91904
"1092863"	609.14984	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2K-H"	76.91904
"146398"	571.193958	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"2M+2K"	77.926316
"589239"	837.309358	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"3M+2K"	77.926316
"1072659"	305.078558	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2K"	77.926316
"1108056"	611.164392	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2K+H"	78.933592
"1341159"	611.252007	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+DMSO+H"	79.021207
"1007864"	615.291176	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2ACN+H"	83.060376
"1527813"	616.284808	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+IsoProp+Na+H"	84.054008
"992073"	308.149226	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+2ACN+2H"	84.067652
"1592044"	617.199428	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+K+HCOOH"	84.968628
"1420987"	647.230938	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+H+CF3COOH"	115.000138
"1153466"	328.662501	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+3ACN+2H"	125.094202
"1707390"	664.257485	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+NH4+CF3COOH"	132.026685
"1645227"	669.21288	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+Na+CF3COOH"	136.98208
"1574317"	685.18682	"C08767"	"12alpha-Hydroxyamoorstatin"	"C28H36O10"	"532.2308"	"M+K+CF3COOH"	152.95602
"802860"	488.2046	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M"	0
"985872"	469.18621	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-H2O-H"	-19.01839
"69739"	324.462457333333	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M-3H"	-3.021828
"509303"	487.197324	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M-3H"	-3.021828
"889293"	161.727590666667	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-3H"	-3.021828
"7868"	487.197324	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M-2H"	-2.014552
"452895"	731.299624	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M-2H"	-2.014552
"830332"	243.095024	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-2H"	-2.014552
"90687"	975.401924	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M-H"	-1.007276
"531341"	1463.606524	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M-H"	-1.007276
"900396"	487.197324	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-H"	-1.007276
"56957"	992.428471	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M-2H+NH4"	16.019271
"491779"	1480.633071	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M-2H+NH4"	16.019271
"867392"	504.223871	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-2H+NH4"	16.019271
"36752"	997.383866	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M-2H+Na"	20.974666
"477406"	1485.588466	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M-2H+Na"	20.974666
"852296"	509.179266	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-2H+Na"	20.974666
"1622923"	509.179266	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Na-2H"	20.974666
"97265"	505.185663	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M-H+Cl"	33.962126
"541931"	749.287963	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M-H+Cl"	33.962126
"937640"	261.083363	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-H+Cl"	33.962126
"276198"	1011.378602	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+Cl"	34.969402
"672627"	1499.583202	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+Cl"	34.969402
"1284298"	523.174002	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Cl"	34.969402
"27947"	1013.357806	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M-2H+K"	36.948606
"467508"	1501.562406	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M-2H+K"	36.948606
"845675"	525.153206	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-2H+K"	36.948606
"1563329"	525.153206	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+K-2H"	36.948606
"946840"	533.202794	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-H+HCOOH"	44.998194
"363961"	1021.407401	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+HCOOH-H"	44.998201
"351127"	1035.423051	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+Hac-H"	59.013851
"1498864"	547.218451	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Hac-H"	59.013851
"963124"	555.184751	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-H+NaCOOH"	66.980151
"125548"	523.174002	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+2Cl"	69.938804
"565471"	767.276302	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+2Cl"	69.938804
"1035964"	279.071702	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2Cl"	69.938804
"1256635"	567.123485	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Br"	78.918885
"1319619"	569.179472	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Cl+HCOOH"	80.974872
"1335373"	591.161429	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Cl+NaCOOH"	102.956829
"926183"	601.190186	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M-H+CF3COOH"	112.985586
"1303989"	637.166864	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Cl+CF3COOH"	148.962264
"1381051"	453.191924	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H-2H2O"	-35.012676
"1396846"	471.2019	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H-H2O"	-17.0027
"295801"	977.416476	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+H"	1.007276
"687493"	1465.621076	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+H"	1.007276
"1363111"	489.211876	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H"	1.007276
"140625"	489.211876	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+2H"	2.014552
"575203"	733.314176	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+2H"	2.014552
"1047648"	245.109576	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2H"	2.014552
"211903"	326.477009333333	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+3H"	3.021828
"657296"	489.211876	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+3H"	3.021828
"1176151"	163.742142666667	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+3H"	3.021828
"438329"	994.443023	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+NH4"	18.033823
"798957"	1482.647623	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+NH4"	18.033823
"1687997"	506.238423	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+NH4"	18.033823
"340649"	497.7251495	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+H+NH4"	19.041099
"726873"	741.8274495	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+H+NH4"	19.041099
"1478506"	253.6228495	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H+NH4"	19.041099
"393660"	999.398418	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+Na"	22.989218
"757087"	1487.603018	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+Na"	22.989218
"1608107"	511.193818	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Na"	22.989218
"320327"	500.202847	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+H+Na"	23.996494
"708616"	744.305147	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+H+Na"	23.996494
"1462801"	256.100547	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H+Na"	23.996494
"1055075"	171.069456666667	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2H+Na"	25.00377
"1264776"	521.238086	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+CH3OH+H"	33.033486
"385551"	1015.372358	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+K"	38.963158
"744360"	1503.576958	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+K"	38.963158
"1545319"	527.167758	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+K"	38.963158
"303588"	508.189817	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+H+K"	39.970434
"698195"	752.292117	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+H+K"	39.970434
"1452016"	264.087517	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H+K"	39.970434
"246084"	1018.443026	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+ACN+H"	42.033826
"1219887"	530.238426	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+ACN+H"	42.033826
"1201583"	265.622851	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+ACN+2H"	43.041102
"198827"	1021.38036	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+2Na-H"	44.97116
"638388"	1509.58496	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+2Na-H"	44.97116
"1138612"	533.17576	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2Na-H"	44.97116
"176433"	511.193818	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+2Na"	45.978436
"619278"	755.296118	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+2Na"	45.978436
"1124973"	267.091518	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2Na"	45.978436
"1400843"	178.396770666667	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H+2Na"	46.985712
"1430038"	535.217346	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H+HCOOH"	47.012746
"223748"	516.22684	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+3H2O+2H"	56.04448
"1517280"	549.26939	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+IsoProp+H"	61.06479
"418059"	519.180788	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+Na+K"	61.952376
"777964"	763.283088	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+Na+K"	61.952376
"1672107"	275.078488	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Na+K"	61.952376
"263375"	1040.424968	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+ACN+Na"	64.015768
"1238635"	552.220368	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+ACN+Na"	64.015768
"1727280"	552.243893	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+NH4+HCOOH"	64.039293
"1190688"	185.724084666667	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+3Na"	68.967654
"1658758"	557.199288	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Na+HCOOH"	68.994688
"160517"	1053.32824	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+2K-H"	76.91904
"602992"	1541.53284	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+2K-H"	76.91904
"1091880"	565.12364	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2K-H"	76.91904
"145415"	527.167758	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"2M+2K"	77.926316
"588257"	771.270058	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"3M+2K"	77.926316
"1072769"	283.065458	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2K"	77.926316
"1105979"	567.138192	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2K+H"	78.933592
"1341269"	567.225807	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+DMSO+H"	79.021207
"1008337"	571.264976	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2ACN+H"	83.060376
"1527193"	572.258608	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+IsoProp+Na+H"	84.054008
"993276"	286.136126	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+2ACN+2H"	84.067652
"1591060"	573.173228	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+K+HCOOH"	84.968628
"1421097"	603.204738	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+H+CF3COOH"	115.000138
"1150296"	306.649401	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+3ACN+2H"	125.094202
"1707500"	620.231285	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+NH4+CF3COOH"	132.026685
"1645337"	625.18668	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+Na+CF3COOH"	136.98208
"1574791"	641.16062	"C08768"	"Ichangin"	"C26H32O9"	"488.2046"	"M+K+CF3COOH"	152.95602
"803700"	522.2101	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M"	0
"985982"	503.19171	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-H2O-H"	-19.01839
"69850"	347.132790666667	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M-3H"	-3.021828
"508318"	521.202824	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M-3H"	-3.021828
"885028"	173.062757333333	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-3H"	-3.021828
"5792"	521.202824	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M-2H"	-2.014552
"445352"	782.307874	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M-2H"	-2.014552
"828623"	260.097774	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-2H"	-2.014552
"86428"	1043.412924	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M-H"	-1.007276
"525987"	1565.623024	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M-H"	-1.007276
"904884"	521.202824	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-H"	-1.007276
"53789"	1060.439471	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M-2H+NH4"	16.019271
"499183"	1582.649571	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M-2H+NH4"	16.019271
"874068"	538.229371	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-2H+NH4"	16.019271
"42698"	1065.394866	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M-2H+Na"	20.974666
"477519"	1587.604966	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M-2H+Na"	20.974666
"852406"	543.184766	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-2H+Na"	20.974666
"1633366"	543.184766	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Na-2H"	20.974666
"106856"	539.191163	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M-H+Cl"	33.962126
"547513"	800.296213	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M-H+Cl"	33.962126
"937753"	278.086113	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-H+Cl"	33.962126
"279590"	1079.389602	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+Cl"	34.969402
"668731"	1601.599702	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+Cl"	34.969402
"1281131"	557.179502	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Cl"	34.969402
"28061"	1081.368806	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M-2H+K"	36.948606
"468712"	1603.578906	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M-2H+K"	36.948606
"845424"	559.158706	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-2H+K"	36.948606
"1568546"	559.158706	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+K-2H"	36.948606
"948048"	567.208294	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-H+HCOOH"	44.998194
"368449"	1089.418401	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+HCOOH-H"	44.998201
"352330"	1103.434051	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+Hac-H"	59.013851
"1498974"	581.223951	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Hac-H"	59.013851
"963239"	589.190251	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-H+NaCOOH"	66.980151
"116523"	557.179502	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+2Cl"	69.938804
"564363"	818.284552	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+2Cl"	69.938804
"1035838"	296.074452	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2Cl"	69.938804
"1256873"	601.128985	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Br"	78.918885
"1318956"	603.184972	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Cl+HCOOH"	80.974872
"1334263"	625.166929	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Cl+NaCOOH"	102.956829
"926050"	635.195686	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M-H+CF3COOH"	112.985586
"1303487"	671.172364	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Cl+CF3COOH"	148.962264
"1382460"	487.197424	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H-2H2O"	-35.012676
"1392217"	505.2074	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H-H2O"	-17.0027
"297374"	1045.427476	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+H"	1.007276
"688337"	1567.637576	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+H"	1.007276
"1362495"	523.217376	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H"	1.007276
"140249"	523.217376	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+2H"	2.014552
"576774"	784.322426	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+2H"	2.014552
"1049586"	262.112326	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2H"	2.014552
"216028"	349.147342666667	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+3H"	3.021828
"655953"	523.217376	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+3H"	3.021828
"1173711"	175.077309333333	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+3H"	3.021828
"435889"	1062.454023	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+NH4"	18.033823
"797249"	1584.664123	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+NH4"	18.033823
"1691393"	540.243923	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+NH4"	18.033823
"341857"	531.7306495	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+H+NH4"	19.041099
"732089"	792.8356995	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+H+NH4"	19.041099
"1483722"	270.6255995	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H+NH4"	19.041099
"396935"	1067.409418	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+Na"	22.989218
"764129"	1589.619518	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+Na"	22.989218
"1615145"	545.199318	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Na"	22.989218
"321535"	534.208347	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+H+Na"	23.996494
"712863"	795.313397	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+H+Na"	23.996494
"1465588"	273.103297	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H+Na"	23.996494
"1058835"	182.404623333333	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2H+Na"	25.00377
"1267078"	555.243586	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+CH3OH+H"	33.033486
"387837"	1083.383358	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+K"	38.963158
"747751"	1605.593458	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+K"	38.963158
"1548710"	561.173258	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+K"	38.963158
"304792"	542.195317	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+H+K"	39.970434
"699400"	803.300367	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+H+K"	39.970434
"1454314"	281.090267	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H+K"	39.970434
"241821"	1086.454026	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+ACN+H"	42.033826
"1217812"	564.243926	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+ACN+H"	42.033826
"1207528"	282.625601	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+ACN+2H"	43.041102
"200761"	1089.39136	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+2Na-H"	44.97116
"637409"	1611.60146	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+2Na-H"	44.97116
"1139818"	567.18126	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2Na-H"	44.97116
"179828"	545.199318	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+2Na"	45.978436
"623037"	806.304368	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+2Na"	45.978436
"1126542"	284.094268	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2Na"	45.978436
"1400954"	189.731937333333	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H+2Na"	46.985712
"1430519"	569.222846	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H+HCOOH"	47.012746
"226047"	550.23234	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+3H2O+2H"	56.04448
"1517391"	583.27489	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+IsoProp+H"	61.06479
"418173"	553.186288	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+Na+K"	61.952376
"780259"	814.291338	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+Na+K"	61.952376
"1670032"	292.081238	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Na+K"	61.952376
"263118"	1108.435968	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+ACN+Na"	64.015768
"1234732"	586.225868	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+ACN+Na"	64.015768
"1724351"	586.249393	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+NH4+HCOOH"	64.039293
"1186787"	197.059251333333	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+3Na"	68.967654
"1654495"	591.204788	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Na+HCOOH"	68.994688
"164635"	1121.33924	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+2K-H"	76.91904
"599092"	1643.54934	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+2K-H"	76.91904
"1085791"	599.12914	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2K-H"	76.91904
"146616"	561.173258	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"2M+2K"	77.926316
"585086"	822.278308	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"3M+2K"	77.926316
"1071418"	300.068208	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2K"	77.926316
"1103170"	601.143692	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2K+H"	78.933592
"1338095"	601.231307	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+DMSO+H"	79.021207
"1008813"	605.270476	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2ACN+H"	83.060376
"1527302"	606.264108	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+IsoProp+Na+H"	84.054008
"992293"	303.138876	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+2ACN+2H"	84.067652
"1588252"	607.178728	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+K+HCOOH"	84.968628
"1417923"	637.210238	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+H+CF3COOH"	115.000138
"1147133"	323.652151	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+3ACN+2H"	125.094202
"1699224"	654.236785	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+NH4+CF3COOH"	132.026685
"1636697"	659.19218	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+Na+CF3COOH"	136.98208
"1573078"	675.16612	"C08769"	"Isobrucein A"	"C26H34O11"	"522.2101"	"M+K+CF3COOH"	152.95602
"815477"	480.1632	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M"	0
"986093"	461.14481	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-H2O-H"	-19.01839
"75431"	319.101524	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M-3H"	-3.021828
"512803"	479.155924	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M-3H"	-3.021828
"889513"	159.047124	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-3H"	-3.021828
"5903"	479.155924	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M-2H"	-2.014552
"448744"	719.237524	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M-2H"	-2.014552
"826547"	239.074324	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-2H"	-2.014552
"87632"	959.319124	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M-H"	-1.007276
"529379"	1439.482324	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M-H"	-1.007276
"904994"	479.155924	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-H"	-1.007276
"59367"	976.345671	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M-2H+NH4"	16.019271
"498928"	1456.508871	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M-2H+NH4"	16.019271
"872354"	496.182471	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-2H+NH4"	16.019271
"41714"	981.301066	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M-2H+Na"	20.974666
"477629"	1461.464266	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M-2H+Na"	20.974666
"852152"	501.137866	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-2H+Na"	20.974666
"1630438"	501.137866	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Na-2H"	20.974666
"104415"	497.144263	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M-H+Cl"	33.962126
"547624"	737.225863	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M-H+Cl"	33.962126
"932394"	257.062663	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-H+Cl"	33.962126
"275324"	995.295802	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+Cl"	34.969402
"666653"	1475.459002	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+Cl"	34.969402
"1277961"	515.132602	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Cl"	34.969402
"24891"	997.275006	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M-2H+K"	36.948606
"463355"	1477.438206	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M-2H+K"	36.948606
"838970"	517.111806	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-2H+K"	36.948606
"1562457"	517.111806	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+K-2H"	36.948606
"953624"	525.161394	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-H+HCOOH"	44.998194
"372568"	1005.324601	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+HCOOH-H"	44.998201
"352440"	1019.340251	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+Hac-H"	59.013851
"1495804"	539.177051	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Hac-H"	59.013851
"969544"	547.143351	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-H+NaCOOH"	66.980151
"119913"	515.132602	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+2Cl"	69.938804
"563128"	755.214202	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+2Cl"	69.938804
"1036553"	275.051002	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2Cl"	69.938804
"1256132"	559.082085	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Br"	78.918885
"1319309"	561.138072	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Cl+HCOOH"	80.974872
"1334737"	583.120029	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Cl+NaCOOH"	102.956829
"925430"	593.148786	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M-H+CF3COOH"	112.985586
"1303236"	629.125464	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Cl+CF3COOH"	148.962264
"1382008"	445.150524	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H-2H2O"	-35.012676
"1395244"	463.1605	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H-H2O"	-17.0027
"298217"	961.333676	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+H"	1.007276
"690269"	1441.496876	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+H"	1.007276
"1363334"	481.170476	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H"	1.007276
"140116"	481.170476	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+2H"	2.014552
"576884"	721.252076	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+2H"	2.014552
"1048600"	241.088876	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2H"	2.014552
"215407"	321.116076	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+3H"	3.021828
"655332"	481.170476	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+3H"	3.021828
"1174552"	161.061676	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+3H"	3.021828
"435999"	978.360223	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+NH4"	18.033823
"797723"	1458.523423	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+NH4"	18.033823
"1692231"	498.197023	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+NH4"	18.033823
"341602"	489.6837495	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+H+NH4"	19.041099
"729281"	729.7653495	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+H+NH4"	19.041099
"1482739"	249.6021495	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H+NH4"	19.041099
"396313"	983.315618	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+Na"	22.989218
"766791"	1463.478818	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+Na"	22.989218
"1616348"	503.152418	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Na"	22.989218
"321645"	492.161447	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+H+Na"	23.996494
"716254"	732.243047	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+H+Na"	23.996494
"1472627"	252.079847	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H+Na"	23.996494
"1058945"	168.38899	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2H+Na"	25.00377
"1267188"	513.196686	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+CH3OH+H"	33.033486
"385760"	999.289558	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+K"	38.963158
"746768"	1479.452758	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+K"	38.963158
"1549913"	519.126358	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+K"	38.963158
"310006"	500.148417	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+H+K"	39.970434
"703520"	740.230017	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+H+K"	39.970434
"1454424"	260.066817	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H+K"	39.970434
"247398"	1002.360226	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+ACN+H"	42.033826
"1221205"	522.197026	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+ACN+H"	42.033826
"1202900"	261.602151	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+ACN+2H"	43.041102
"199782"	1005.29756	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+2Na-H"	44.97116
"639705"	1485.46076	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+2Na-H"	44.97116
"1143209"	525.13436	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2Na-H"	44.97116
"178844"	503.152418	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+2Na"	45.978436
"622781"	743.234018	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+2Na"	45.978436
"1126286"	263.070818	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2Na"	45.978436
"1398752"	175.716304	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H+2Na"	46.985712
"1433181"	527.175946	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H+HCOOH"	47.012746
"229437"	508.18544	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+3H2O+2H"	56.04448
"1516407"	541.22799	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+IsoProp+H"	61.06479
"417190"	511.139388	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+Na+K"	61.952376
"779279"	751.220988	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+Na+K"	61.952376
"1677434"	271.057788	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Na+K"	61.952376
"263592"	1024.342168	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+ACN+Na"	64.015768
"1237030"	544.178968	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+ACN+Na"	64.015768
"1722638"	544.202493	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+NH4+HCOOH"	64.039293
"1190543"	183.043618	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+3Na"	68.967654
"1657886"	549.157888	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Na+HCOOH"	68.994688
"164745"	1037.24544	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+2K-H"	76.91904
"600297"	1517.40864	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+2K-H"	76.91904
"1086996"	557.08224	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2K-H"	76.91904
"150008"	519.126358	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"2M+2K"	77.926316
"587382"	759.207958	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"3M+2K"	77.926316
"1076267"	279.044758	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2K"	77.926316
"1105103"	559.096792	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2K+H"	78.933592
"1341487"	559.184407	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+DMSO+H"	79.021207
"1011110"	563.223576	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2ACN+H"	83.060376
"1532517"	564.217208	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+IsoProp+Na+H"	84.054008
"996777"	282.115426	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+2ACN+2H"	84.067652
"1592373"	565.131828	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+K+HCOOH"	84.968628
"1418034"	595.163338	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+H+CF3COOH"	115.000138
"1149416"	302.628701	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+3ACN+2H"	125.094202
"1698606"	612.189885	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+NH4+CF3COOH"	132.026685
"1635715"	617.14528	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+Na+CF3COOH"	136.98208
"1580116"	633.11922	"C08770"	"Isobrucein B"	"C23H28O11"	"480.1632"	"M+K+CF3COOH"	152.95602
"815950"	390.2042	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M"	0
"986203"	371.18581	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-H2O-H"	-19.01839
"77688"	259.128857333333	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M-3H"	-3.021828
"507446"	389.196924	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M-3H"	-3.021828
"891809"	129.060790666667	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-3H"	-3.021828
"3825"	389.196924	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M-2H"	-2.014552
"449946"	584.299024	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M-2H"	-2.014552
"825564"	194.094824	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-2H"	-2.014552
"85555"	779.401124	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M-H"	-1.007276
"526208"	1169.605324	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M-H"	-1.007276
"908381"	389.196924	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-H"	-1.007276
"59474"	796.427671	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M-2H+NH4"	16.019271
"500618"	1186.631871	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M-2H+NH4"	16.019271
"872464"	406.223471	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-2H+NH4"	16.019271
"43646"	801.383066	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M-2H+Na"	20.974666
"481019"	1191.587266	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M-2H+Na"	20.974666
"855541"	411.178866	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-2H+Na"	20.974666
"1631641"	411.178866	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Na-2H"	20.974666
"105982"	407.185263	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M-H+Cl"	33.962126
"546640"	602.287363	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M-H+Cl"	33.962126
"934693"	212.083163	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-H+Cl"	33.962126
"275434"	815.377802	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+Cl"	34.969402
"667857"	1205.582002	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+Cl"	34.969402
"1278071"	425.173602	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Cl"	34.969402
"26094"	817.357006	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M-2H+K"	36.948606
"463465"	1207.561206	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M-2H+K"	36.948606
"841267"	427.152806	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-2H+K"	36.948606
"1561474"	427.152806	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+K-2H"	36.948606
"953734"	435.202394	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-H+HCOOH"	44.998194
"372678"	825.406601	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+HCOOH-H"	44.998201
"352550"	839.422251	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+Hac-H"	59.013851
"1497371"	449.218051	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Hac-H"	59.013851
"969654"	457.184351	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-H+NaCOOH"	66.980151
"120023"	425.173602	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+2Cl"	69.938804
"564328"	620.275702	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+2Cl"	69.938804
"1035938"	230.071502	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2Cl"	69.938804
"1255879"	469.123085	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Br"	78.918885
"1318448"	471.179072	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Cl+HCOOH"	80.974872
"1334242"	493.161029	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Cl+NaCOOH"	102.956829
"924446"	503.189786	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M-H+CF3COOH"	112.985586
"1302254"	539.166464	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Cl+CF3COOH"	148.962264
"1381146"	355.191524	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H-2H2O"	-35.012676
"1396448"	373.2015	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H-H2O"	-17.0027
"297231"	781.415676	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+H"	1.007276
"690744"	1171.619876	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+H"	1.007276
"1365631"	391.211476	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H"	1.007276
"139982"	391.211476	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+2H"	2.014552
"576629"	586.313576	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+2H"	2.014552
"1046521"	196.109376	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2H"	2.014552
"216609"	261.143409333333	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+3H"	3.021828
"655075"	391.211476	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+3H"	3.021828
"1176118"	131.075342666667	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+3H"	3.021828
"436473"	798.442223	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+NH4"	18.033823
"800628"	1188.646423	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+NH4"	18.033823
"1694526"	408.238023	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+NH4"	18.033823
"339887"	399.7247495	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+H+NH4"	19.041099
"731214"	594.8268495	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+H+NH4"	19.041099
"1482847"	204.6226495	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H+NH4"	19.041099
"399339"	803.397618	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+Na"	22.989218
"761431"	1193.601818	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+Na"	22.989218
"1610625"	413.193418	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Na"	22.989218
"320661"	402.202447	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+H+Na"	23.996494
"716364"	597.304547	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+H+Na"	23.996494
"1467997"	207.100347	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H+Na"	23.996494
"1061241"	138.402656666667	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2H+Na"	25.00377
"1269484"	423.237686	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+CH3OH+H"	33.033486
"383682"	819.371558	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+K"	38.963158
"746878"	1209.575758	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+K"	38.963158
"1551117"	429.167358	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+K"	38.963158
"308295"	410.189417	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+H+K"	39.970434
"703994"	605.291517	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+H+K"	39.970434
"1456721"	215.087317	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H+K"	39.970434
"245325"	822.442226	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+ACN+H"	42.033826
"1221315"	432.238026	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+ACN+H"	42.033826
"1203010"	216.622651	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+ACN+2H"	43.041102
"193694"	825.37956	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+2Na-H"	44.97116
"637628"	1215.58376	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+2Na-H"	44.97116
"1141131"	435.17536	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2Na-H"	44.97116
"182234"	413.193418	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+2Na"	45.978436
"621797"	608.295518	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+2Na"	45.978436
"1119835"	218.091318	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2Na"	45.978436
"1398466"	145.729970666667	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H+2Na"	46.985712
"1433291"	437.216946	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H+HCOOH"	47.012746
"229547"	418.22644	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+3H2O+2H"	56.04448
"1518702"	451.26899	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+IsoProp+H"	61.06479
"420579"	421.180388	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+Na+K"	61.952376
"780484"	616.282488	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+Na+K"	61.952376
"1677546"	226.078288	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Na+K"	61.952376
"263335"	844.424168	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+ACN+Na"	64.015768
"1236045"	454.219968	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+ACN+Na"	64.015768
"1718371"	454.243493	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+NH4+HCOOH"	64.039293
"1188100"	153.057284666667	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+3Na"	68.967654
"1656901"	459.198888	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Na+HCOOH"	68.994688
"165947"	857.32744	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+2K-H"	76.91904
"601136"	1247.53164	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+2K-H"	76.91904
"1087835"	467.12324	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2K-H"	76.91904
"147931"	429.167358	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"2M+2K"	77.926316
"586399"	624.269458	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"3M+2K"	77.926316
"1075284"	234.065258	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2K"	77.926316
"1106307"	469.137792	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2K+H"	78.933592
"1340503"	469.225407	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+DMSO+H"	79.021207
"1011220"	473.264576	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2ACN+H"	83.060376
"1535907"	474.258208	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+IsoProp+Na+H"	84.054008
"1000168"	237.135926	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+2ACN+2H"	84.067652
"1589204"	475.172828	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+K+HCOOH"	84.968628
"1418142"	505.204338	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+H+CF3COOH"	115.000138
"1149527"	257.649201	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+3ACN+2H"	125.094202
"1699080"	522.230885	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+NH4+CF3COOH"	132.026685
"1635825"	527.18628	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+Na+CF3COOH"	136.98208
"1574757"	543.16022	"C08771"	"Neoquassin"	"C22H30O6"	"390.2042"	"M+K+CF3COOH"	152.95602
"816060"	410.2305	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M"	0
"986313"	391.21211	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-H2O-H"	-19.01839
"75652"	272.479724	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M-3H"	-3.021828
"508648"	409.223224	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M-3H"	-3.021828
"887545"	135.736224	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-3H"	-3.021828
"3935"	409.223224	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M-2H"	-2.014552
"446775"	614.338474	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M-2H"	-2.014552
"822392"	204.107974	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-2H"	-2.014552
"88944"	819.453724	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M-H"	-1.007276
"527411"	1229.684224	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M-H"	-1.007276
"908491"	409.223224	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-H"	-1.007276
"61407"	836.480271	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M-2H+NH4"	16.019271
"500849"	1246.710771	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M-2H+NH4"	16.019271
"875854"	426.249771	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-2H+NH4"	16.019271
"44484"	841.435666	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M-2H+Na"	20.974666
"484409"	1251.666166	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M-2H+Na"	20.974666
"855652"	431.205166	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-2H+Na"	20.974666
"1633453"	431.205166	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Na-2H"	20.974666
"108401"	427.211563	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M-H+Cl"	33.962126
"546750"	632.326813	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M-H+Cl"	33.962126
"938082"	222.096313	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-H+Cl"	33.962126
"275544"	855.430402	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+Cl"	34.969402
"670153"	1265.660902	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+Cl"	34.969402
"1280368"	445.199902	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Cl"	34.969402
"28390"	857.409606	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M-2H+K"	36.948606
"469042"	1267.640106	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M-2H+K"	36.948606
"844293"	447.179106	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-2H+K"	36.948606
"1569238"	447.179106	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+K-2H"	36.948606
"948374"	455.228694	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-H+HCOOH"	44.998194
"373152"	865.459201	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+HCOOH-H"	44.998201
"352660"	879.474851	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+Hac-H"	59.013851
"1497116"	469.244351	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Hac-H"	59.013851
"967942"	477.210651	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-H+NaCOOH"	66.980151
"119040"	445.199902	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+2Cl"	69.938804
"561880"	650.315152	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+2Cl"	69.938804
"1036898"	240.084652	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2Cl"	69.938804
"1256596"	489.149385	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Br"	78.918885
"1319805"	491.205372	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Cl+HCOOH"	80.974872
"1335326"	513.187329	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Cl+NaCOOH"	102.956829
"926990"	523.216086	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M-H+CF3COOH"	112.985586
"1304065"	559.192764	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Cl+CF3COOH"	148.962264
"1382650"	375.217824	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H-2H2O"	-35.012676
"1396193"	393.2278	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H-H2O"	-17.0027
"298466"	821.468276	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+H"	1.007276
"690981"	1231.698776	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+H"	1.007276
"1366433"	411.237776	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H"	1.007276
"140097"	411.237776	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+2H"	2.014552
"578928"	616.353026	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+2H"	2.014552
"1046632"	206.122526	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2H"	2.014552
"217448"	274.494276	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+3H"	3.021828
"657740"	411.237776	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+3H"	3.021828
"1175136"	137.750776	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+3H"	3.021828
"437313"	838.494823	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+NH4"	18.033823
"799036"	1248.725323	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+NH4"	18.033823
"1693907"	428.264323	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+NH4"	18.033823
"343278"	419.7510495	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+H+NH4"	19.041099
"728408"	624.8662995	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+H+NH4"	19.041099
"1481865"	214.6357995	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H+NH4"	19.041099
"396169"	843.450218	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+Na"	22.989218
"762635"	1253.680718	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+Na"	22.989218
"1617174"	433.219718	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Na"	22.989218
"321865"	422.228747	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+H+Na"	23.996494
"716474"	627.343997	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+H+Na"	23.996494
"1471387"	217.113497	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H+Na"	23.996494
"1059164"	145.07809	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2H+Na"	25.00377
"1265219"	443.263986	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+CH3OH+H"	33.033486
"381604"	859.424158	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+K"	38.963158
"750266"	1269.654658	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+K"	38.963158
"1554874"	449.193658	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+K"	38.963158
"309496"	430.215717	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+H+K"	39.970434
"704104"	635.330967	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+H+K"	39.970434
"1457924"	225.100467	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H+K"	39.970434
"248718"	862.494826	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+ACN+H"	42.033826
"1222516"	452.264326	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+ACN+H"	42.033826
"1207491"	226.635801	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+ACN+2H"	43.041102
"200002"	865.43216	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+2Na-H"	44.97116
"641749"	1275.66266	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+2Na-H"	44.97116
"1141242"	455.20166	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2Na-H"	44.97116
"182344"	433.219718	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+2Na"	45.978436
"624094"	638.334968	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+2Na"	45.978436
"1125412"	228.104468	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2Na"	45.978436
"1402378"	152.405404	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H+2Na"	46.985712
"1433401"	457.243246	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H+HCOOH"	47.012746
"231846"	438.25274	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+3H2O+2H"	56.04448
"1518812"	471.29529	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+IsoProp+H"	61.06479
"422513"	441.206688	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+Na+K"	61.952376
"782784"	646.321938	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+Na+K"	61.952376
"1677294"	236.091438	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Na+K"	61.952376
"263445"	884.476768	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+ACN+Na"	64.015768
"1237976"	474.246268	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+ACN+Na"	64.015768
"1719574"	474.269793	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+NH4+HCOOH"	64.039293
"1187117"	159.732718	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+3Na"	68.967654
"1654824"	479.225188	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Na+HCOOH"	68.994688
"164964"	897.38004	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+2K-H"	76.91904
"601244"	1307.61054	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+2K-H"	76.91904
"1090131"	487.14954	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2K-H"	76.91904
"149133"	449.193658	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"2M+2K"	77.926316
"587603"	654.308908	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"3M+2K"	77.926316
"1078675"	244.078408	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2K"	77.926316
"1104230"	489.164092	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2K+H"	78.933592
"1338426"	489.251707	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+DMSO+H"	79.021207
"1013516"	493.290876	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2ACN+H"	83.060376
"1534923"	494.284508	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+IsoProp+Na+H"	84.054008
"998091"	247.149076	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+2ACN+2H"	84.067652
"1589313"	495.199128	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+K+HCOOH"	84.968628
"1416430"	525.230638	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+H+CF3COOH"	115.000138
"1148177"	267.662351	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+3ACN+2H"	125.094202
"1698095"	542.257185	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+NH4+CF3COOH"	132.026685
"1635935"	547.21258	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+Na+CF3COOH"	136.98208
"1574867"	563.18652	"C08772"	"Nigakihemiacetal A"	"C22H34O7"	"410.2305"	"M+K+CF3COOH"	152.95602
"816660"	514.2203	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M"	0
"989340"	495.20191	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-H2O-H"	-19.01839
"76855"	341.806257333333	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M-3H"	-3.021828
"510944"	513.213024	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M-3H"	-3.021828
"884376"	170.399490666667	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-3H"	-3.021828
"4045"	513.213024	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M-2H"	-2.014552
"450166"	770.323174	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M-2H"	-2.014552
"825784"	256.102874	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-2H"	-2.014552
"86868"	1027.433324	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M-H"	-1.007276
"533353"	1541.653624	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M-H"	-1.007276
"908601"	513.213024	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-H"	-1.007276
"61275"	1044.459871	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M-2H+NH4"	16.019271
"498163"	1558.680171	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M-2H+NH4"	16.019271
"876693"	530.239571	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-2H+NH4"	16.019271
"46460"	1049.415266	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M-2H+Na"	20.974666
"482330"	1563.635566	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M-2H+Na"	20.974666
"859042"	535.194966	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-2H+Na"	20.974666
"1633643"	535.194966	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Na-2H"	20.974666
"109239"	531.201363	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M-H+Cl"	33.962126
"549046"	788.311513	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M-H+Cl"	33.962126
"939653"	274.091213	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-H+Cl"	33.962126
"278934"	1063.410002	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+Cl"	34.969402
"673543"	1577.630302	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+Cl"	34.969402
"1287040"	549.189702	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Cl"	34.969402
"28500"	1065.389206	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M-2H+K"	36.948606
"470611"	1579.609506	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M-2H+K"	36.948606
"845862"	551.168906	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-2H+K"	36.948606
"1568256"	551.168906	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+K-2H"	36.948606
"949576"	559.218494	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-H+HCOOH"	44.998194
"368883"	1073.438801	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+HCOOH-H"	44.998201
"352770"	1087.454451	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+Hac-H"	59.013851
"1496863"	573.234151	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Hac-H"	59.013851
"969874"	581.200451	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-H+NaCOOH"	66.980151
"124617"	549.189702	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+2Cl"	69.938804
"563083"	806.299852	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+2Cl"	69.938804
"1035912"	292.079552	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2Cl"	69.938804
"1256584"	593.139185	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Br"	78.918885
"1319024"	595.195172	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Cl+HCOOH"	80.974872
"1334710"	617.177129	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Cl+NaCOOH"	102.956829
"926857"	627.205886	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M-H+CF3COOH"	112.985586
"1301380"	663.182564	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Cl+CF3COOH"	148.962264
"1381727"	479.207624	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H-2H2O"	-35.012676
"1397764"	497.2176	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H-H2O"	-17.0027
"298180"	1029.447876	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+H"	1.007276
"689510"	1543.668176	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+H"	1.007276
"1366871"	515.227576	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H"	1.007276
"140811"	515.227576	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+2H"	2.014552
"576851"	772.337726	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+2H"	2.014552
"1049661"	258.117426	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2H"	2.014552
"216832"	343.820809333333	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+3H"	3.021828
"658577"	515.227576	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+3H"	3.021828
"1175973"	172.414042666667	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+3H"	3.021828
"438515"	1046.474423	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+NH4"	18.033823
"798415"	1560.694723	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+NH4"	18.033823
"1691829"	532.254123	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+NH4"	18.033823
"336828"	523.7408495	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+H+NH4"	19.041099
"725602"	780.8509995	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+H+NH4"	19.041099
"1480516"	266.6306995	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H+NH4"	19.041099
"395550"	1051.429818	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+Na"	22.989218
"755817"	1565.650118	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+Na"	22.989218
"1605376"	537.209518	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Na"	22.989218
"320878"	526.218547	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+H+Na"	23.996494
"716584"	783.328697	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+H+Na"	23.996494
"1471497"	269.108397	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H+Na"	23.996494
"1060367"	179.741356666667	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2H+Na"	25.00377
"1264234"	547.253786	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+CH3OH+H"	33.033486
"384994"	1067.403758	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+K"	38.963158
"753740"	1581.624058	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+K"	38.963158
"1552431"	553.183458	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+K"	38.963158
"311795"	534.205517	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+H+K"	39.970434
"707005"	791.315667	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+H+K"	39.970434
"1460100"	277.095367	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H+K"	39.970434
"250286"	1070.474426	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+ACN+H"	42.033826
"1224452"	556.254126	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+ACN+H"	42.033826
"1209428"	278.630701	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+ACN+2H"	43.041102
"201570"	1073.41176	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+2Na-H"	44.97116
"641860"	1587.63206	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+2Na-H"	44.97116
"1144998"	559.19146	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2Na-H"	44.97116
"183548"	537.209518	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+2Na"	45.978436
"627852"	794.319668	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+2Na"	45.978436
"1129896"	280.099368	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2Na"	45.978436
"1410142"	187.068670666667	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H+2Na"	46.985712
"1440072"	561.233046	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H+HCOOH"	47.012746
"233051"	542.24254	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+3H2O+2H"	56.04448
"1523661"	575.28509	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+IsoProp+H"	61.06479
"422259"	545.196488	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+Na+K"	61.952376
"784353"	802.306638	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+Na+K"	61.952376
"1679228"	288.086338	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Na+K"	61.952376
"261371"	1092.456368	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+ACN+Na"	64.015768
"1229706"	578.236068	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+ACN+Na"	64.015768
"1724060"	578.259593	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+NH4+HCOOH"	64.039293
"1188321"	194.395984666667	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+3Na"	68.967654
"1657121"	583.214988	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Na+HCOOH"	68.994688
"168356"	1105.35964	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+2K-H"	76.91904
"604635"	1619.57994	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+2K-H"	76.91904
"1092429"	591.13934	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2K-H"	76.91904
"153618"	553.183458	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"2M+2K"	77.926316
"588807"	810.293608	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"3M+2K"	77.926316
"1076599"	296.073308	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2K"	77.926316
"1109810"	593.153892	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2K+H"	78.933592
"1347285"	593.241507	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+DMSO+H"	79.021207
"1011439"	597.280676	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2ACN+H"	83.060376
"1533940"	598.274308	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+IsoProp+Na+H"	84.054008
"1000388"	299.143976	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+2ACN+2H"	84.067652
"1590880"	599.188928	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+K+HCOOH"	84.968628
"1419456"	629.220438	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+H+CF3COOH"	115.000138
"1148653"	319.657251	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+3ACN+2H"	125.094202
"1700391"	646.246985	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+NH4+CF3COOH"	132.026685
"1637138"	651.20238	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+Na+CF3COOH"	136.98208
"1580446"	667.17632	"C08773"	"Nomilin"	"C28H34O9"	"514.2203"	"M+K+CF3COOH"	152.95602
"813000"	172.0524	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M"	0
"987628"	153.03401	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-H2O-H"	-19.01839
"73683"	113.694324	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M-3H"	-3.021828
"506684"	171.045124	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M-3H"	-3.021828
"881570"	56.343524	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-3H"	-3.021828
"1968"	171.045124	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M-2H"	-2.014552
"445902"	257.071324	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M-2H"	-2.014552
"824800"	85.018924	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-2H"	-2.014552
"86978"	343.097524	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M-H"	-1.007276
"527630"	515.149924	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M-H"	-1.007276
"905431"	171.045124	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-H"	-1.007276
"61629"	360.124071	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M-2H+NH4"	16.019271
"491713"	532.176471	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M-2H+NH4"	16.019271
"872794"	188.071671	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-2H+NH4"	16.019271
"46286"	365.079466	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M-2H+Na"	20.974666
"481346"	537.131866	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M-2H+Na"	20.974666
"850768"	193.027066	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-2H+Na"	20.974666
"1629783"	193.027066	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Na-2H"	20.974666
"103031"	189.033463	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M-H+Cl"	33.962126
"548063"	275.059663	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M-H+Cl"	33.962126
"940127"	103.007263	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-H+Cl"	33.962126
"280504"	379.074202	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+Cl"	34.969402
"670373"	551.126602	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+Cl"	34.969402
"1283870"	207.021802	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Cl"	34.969402
"28610"	381.053406	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M-2H+K"	36.948606
"469262"	553.105806	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M-2H+K"	36.948606
"845972"	209.001006	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-2H+K"	36.948606
"1563991"	209.001006	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+K-2H"	36.948606
"947500"	217.050594	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-H+HCOOH"	44.998194
"366078"	389.103001	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+HCOOH-H"	44.998201
"351782"	403.118651	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+Hac-H"	59.013851
"1495879"	231.066251	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Hac-H"	59.013851
"968891"	239.032551	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-H+NaCOOH"	66.980151
"125458"	207.021802	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+2Cl"	69.938804
"562100"	293.048002	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+2Cl"	69.938804
"1036267"	120.995602	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2Cl"	69.938804
"1256331"	250.971285	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Br"	78.918885
"1319420"	253.027272	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Cl+HCOOH"	80.974872
"1335416"	275.009229	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Cl+NaCOOH"	102.956829
"926946"	285.037986	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M-H+CF3COOH"	112.985586
"1303997"	321.014664	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Cl+CF3COOH"	148.962264
"1382626"	137.039724	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H-2H2O"	-35.012676
"1397513"	155.0497	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H-H2O"	-17.0027
"298444"	345.112076	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+H"	1.007276
"691297"	517.164476	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+H"	1.007276
"1366326"	173.059676	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H"	1.007276
"140795"	173.059676	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+2H"	2.014552
"573679"	259.085876	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+2H"	2.014552
"1046851"	87.033476	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2H"	2.014552
"214751"	115.708876	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+3H"	3.021828
"656499"	173.059676	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+3H"	3.021828
"1173530"	58.358076	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+3H"	3.021828
"437532"	362.138623	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+NH4"	18.033823
"797432"	534.191023	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+NH4"	18.033823
"1691939"	190.086223	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+NH4"	18.033823
"336938"	181.5729495	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+H+NH4"	19.041099
"725712"	267.5991495	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+H+NH4"	19.041099
"1479533"	95.5467495	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H+NH4"	19.041099
"394567"	367.094018	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+Na"	22.989218
"758479"	539.146418	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+Na"	22.989218
"1605606"	195.041618	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Na"	22.989218
"317708"	184.050647	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+H+Na"	23.996494
"710132"	270.076847	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+H+Na"	23.996494
"1469419"	98.024447	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H+Na"	23.996494
"1055738"	65.68539	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2H+Na"	25.00377
"1264343"	205.085886	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+CH3OH+H"	33.033486
"384010"	383.067958	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+K"	38.963158
"750486"	555.120358	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+K"	38.963158
"1554000"	211.015558	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+K"	38.963158
"311905"	192.037617	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+H+K"	39.970434
"704694"	278.063817	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+H+K"	39.970434
"1459238"	106.011417	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H+K"	39.970434
"248937"	386.138626	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+ACN+H"	42.033826
"1219461"	214.086226	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+ACN+H"	42.033826
"1208809"	107.546751	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+ACN+2H"	43.041102
"199496"	389.07596	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+2Na-H"	44.97116
"639054"	561.12836	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+2Na-H"	44.97116
"1144743"	217.02356	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2Na-H"	44.97116
"181472"	195.041618	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+2Na"	45.978436
"625043"	281.067818	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+2Na"	45.978436
"1127819"	109.015418	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2Na"	45.978436
"1410252"	73.012704	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H+2Na"	46.985712
"1436902"	219.065146	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H+HCOOH"	47.012746
"233159"	200.07464	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+3H2O+2H"	56.04448
"1520855"	233.11719	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+IsoProp+H"	61.06479
"423458"	203.028588	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+Na+K"	61.952376
"784099"	289.054788	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+Na+K"	61.952376
"1679704"	117.002388	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Na+K"	61.952376
"261483"	408.120568	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+ACN+Na"	64.015768
"1235284"	236.068168	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+ACN+Na"	64.015768
"1725630"	236.091693	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+NH4+HCOOH"	64.039293
"1190983"	80.340018	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+3Na"	68.967654
"1659418"	241.047088	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Na+HCOOH"	68.994688
"168466"	421.02384	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+2K-H"	76.91904
"605838"	593.07624	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+2K-H"	76.91904
"1093632"	248.97144	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2K-H"	76.91904
"152635"	211.015558	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"2M+2K"	77.926316
"587822"	297.041758	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"3M+2K"	77.926316
"1074523"	124.989358	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2K"	77.926316
"1107734"	250.985992	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2K+H"	78.933592
"1345208"	251.073607	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+DMSO+H"	79.021207
"1011549"	255.112776	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2ACN+H"	83.060376
"1531863"	256.106408	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+IsoProp+Na+H"	84.054008
"997218"	128.060026	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+2ACN+2H"	84.067652
"1589532"	257.021028	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+K+HCOOH"	84.968628
"1416284"	287.052538	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+H+CF3COOH"	115.000138
"1147302"	148.573301	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+3ACN+2H"	125.094202
"1697067"	304.079085	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+NH4+CF3COOH"	132.026685
"1634816"	309.03448	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+Na+CF3COOH"	136.98208
"1581649"	325.00842	"C08774"	"(Z)-2-Decene-468-triynoic acid methylester"	"C11H8O2"	"172.0524"	"M+K+CF3COOH"	152.95602
"813110"	454.1992	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M"	0
"986644"	435.18081	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-H2O-H"	-19.01839
"71607"	301.792190666667	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M-3H"	-3.021828
"502911"	453.191924	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M-3H"	-3.021828
"881316"	150.392457333333	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-3H"	-3.021828
"2078"	453.191924	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M-2H"	-2.014552
"446012"	680.291524	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M-2H"	-2.014552
"824910"	226.092324	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-2H"	-2.014552
"87088"	907.391124	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M-H"	-1.007276
"530899"	1361.590324	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M-H"	-1.007276
"902261"	453.191924	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-H"	-1.007276
"62347"	924.417671	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M-2H+NH4"	16.019271
"491823"	1378.616871	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M-2H+NH4"	16.019271
"873997"	470.218471	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-2H+NH4"	16.019271
"45546"	929.373066	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M-2H+Na"	20.974666
"480363"	1383.572266	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M-2H+Na"	20.974666
"851971"	475.173866	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-2H+Na"	20.974666
"1628800"	475.173866	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Na-2H"	20.974666
"104234"	471.180263	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M-H+Cl"	33.962126
"547080"	698.279863	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M-H+Cl"	33.962126
"939144"	244.080663	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-H+Cl"	33.962126
"280250"	943.367802	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+Cl"	34.969402
"670482"	1397.567002	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+Cl"	34.969402
"1285073"	489.168602	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Cl"	34.969402
"28720"	945.347006	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M-2H+K"	36.948606
"469739"	1399.546206	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M-2H+K"	36.948606
"845354"	491.147806	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-2H+K"	36.948606
"1565194"	491.147806	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+K-2H"	36.948606
"947610"	499.197394	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-H+HCOOH"	44.998194
"368010"	953.396601	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+HCOOH-H"	44.998201
"351163"	967.412251	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+Hac-H"	59.013851
"1496355"	513.213051	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Hac-H"	59.013851
"962802"	521.179351	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-H+NaCOOH"	66.980151
"120460"	489.168602	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+2Cl"	69.938804
"564033"	716.268202	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+2Cl"	69.938804
"1032102"	262.069002	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2Cl"	69.938804
"1254967"	533.118085	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Br"	78.918885
"1319124"	535.174072	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Cl+HCOOH"	80.974872
"1334806"	557.156029	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Cl+NaCOOH"	102.956829
"926919"	567.184786	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M-H+CF3COOH"	112.985586
"1304027"	603.161464	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Cl+CF3COOH"	148.962264
"1381823"	419.186524	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H-2H2O"	-35.012676
"1397861"	437.1965	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H-H2O"	-17.0027
"297912"	909.405676	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+H"	1.007276
"691363"	1363.604876	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+H"	1.007276
"1366899"	455.206476	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H"	1.007276
"140905"	455.206476	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+2H"	2.014552
"574879"	682.306076	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+2H"	2.014552
"1044775"	228.106876	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2H"	2.014552
"214861"	303.806742666667	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+3H"	3.021828
"658431"	455.206476	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+3H"	3.021828
"1168173"	152.407009333333	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+3H"	3.021828
"434725"	926.432223	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+NH4"	18.033823
"798635"	1380.631423	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+NH4"	18.033823
"1688768"	472.233023	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+NH4"	18.033823
"332672"	463.7197495	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+H+NH4"	19.041099
"723756"	690.8193495	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+H+NH4"	19.041099
"1478181"	236.6201495	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H+NH4"	19.041099
"393092"	931.387618	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+Na"	22.989218
"758589"	1385.586818	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+Na"	22.989218
"1603893"	477.188418	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Na"	22.989218
"316725"	466.197447	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+H+Na"	23.996494
"711335"	693.297047	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+H+Na"	23.996494
"1468436"	239.097847	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H+Na"	23.996494
"1055484"	159.734323333333	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2H+Na"	25.00377
"1264453"	487.232686	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+CH3OH+H"	33.033486
"384120"	947.361558	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+K"	38.963158
"749502"	1401.560758	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+K"	38.963158
"1552651"	493.162358	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+K"	38.963158
"310922"	474.184417	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+H+K"	39.970434
"703346"	701.284017	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+H+K"	39.970434
"1457161"	247.084817	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H+K"	39.970434
"247953"	950.432226	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+ACN+H"	42.033826
"1221757"	496.233026	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+ACN+H"	42.033826
"1206731"	248.620151	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+ACN+2H"	43.041102
"198512"	953.36956	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+2Na-H"	44.97116
"638800"	1407.56876	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+2Na-H"	44.97116
"1142666"	499.17036	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2Na-H"	44.97116
"181582"	477.188418	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+2Na"	45.978436
"616768"	704.288018	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+2Na"	45.978436
"1121002"	250.088818	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2Na"	45.978436
"1401611"	167.061637333333	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H+2Na"	46.985712
"1433726"	501.211946	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H+HCOOH"	47.012746
"225610"	482.22144	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+3H2O+2H"	56.04448
"1513672"	515.26399	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+IsoProp+H"	61.06479
"411898"	485.175388	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+Na+K"	61.952376
"783473"	712.274988	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+Na+K"	61.952376
"1680178"	258.075788	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Na+K"	61.952376
"263779"	972.414168	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+ACN+Na"	64.015768
"1237581"	518.214968	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+ACN+Na"	64.015768
"1725739"	518.238493	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+NH4+HCOOH"	64.039293
"1189633"	174.388951333333	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+3Na"	68.967654
"1659527"	523.193888	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Na+HCOOH"	68.994688
"168576"	985.31744	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+2K-H"	76.91904
"602668"	1439.51664	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+2K-H"	76.91904
"1089367"	531.11824	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2K-H"	76.91904
"151651"	493.162358	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"2M+2K"	77.926316
"589025"	720.261958	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"3M+2K"	77.926316
"1076818"	266.062758	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2K"	77.926316
"1111123"	533.132792	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2K+H"	78.933592
"1346411"	533.220407	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+DMSO+H"	79.021207
"1009472"	537.259576	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2ACN+H"	83.060376
"1531973"	538.253208	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+IsoProp+Na+H"	84.054008
"996235"	269.133426	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+2ACN+2H"	84.067652
"1589642"	539.167828	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+K+HCOOH"	84.968628
"1417122"	569.199338	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+H+CF3COOH"	115.000138
"1147413"	289.646701	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+3ACN+2H"	125.094202
"1697022"	586.225885	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+NH4+CF3COOH"	132.026685
"1636264"	591.18128	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+Na+CF3COOH"	136.98208
"1581759"	607.15522	"C08775"	"Obacunone"	"C26H30O7"	"454.1992"	"M+K+CF3COOH"	152.95602
"813220"	422.2305	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M"	0
"986754"	403.21211	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-H2O-H"	-19.01839
"71717"	280.479724	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M-3H"	-3.021828
"503256"	421.223224	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M-3H"	-3.021828
"881426"	139.736224	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-3H"	-3.021828
"4375"	421.223224	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M-2H"	-2.014552
"445029"	632.338474	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M-2H"	-2.014552
"821740"	210.107974	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-2H"	-2.014552
"87198"	843.453724	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M-H"	-1.007276
"531130"	1265.684224	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M-H"	-1.007276
"900183"	421.223224	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-H"	-1.007276
"61971"	860.480271	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M-2H+NH4"	16.019271
"491933"	1282.710771	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M-2H+NH4"	16.019271
"874107"	438.249771	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-2H+NH4"	16.019271
"43101"	865.435666	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M-2H+Na"	20.974666
"481566"	1287.666166	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M-2H+Na"	20.974666
"850624"	443.205166	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-2H+Na"	20.974666
"1620159"	443.205166	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Na-2H"	20.974666
"98874"	439.211563	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M-H+Cl"	33.962126
"546464"	650.326813	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M-H+Cl"	33.962126
"939251"	228.096313	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-H+Cl"	33.962126
"279267"	879.430402	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+Cl"	34.969402
"671685"	1301.660902	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+Cl"	34.969402
"1279712"	457.199902	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Cl"	34.969402
"26643"	881.409606	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M-2H+K"	36.948606
"468389"	1303.640106	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M-2H+K"	36.948606
"844004"	459.179106	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-2H+K"	36.948606
"1560930"	459.179106	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+K-2H"	36.948606
"947720"	467.228694	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-H+HCOOH"	44.998194
"364841"	889.459201	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+HCOOH-H"	44.998201
"348725"	903.474851	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+Hac-H"	59.013851
"1494278"	481.244351	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Hac-H"	59.013851
"962912"	489.210651	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-H+NaCOOH"	66.980151
"121663"	457.199902	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+2Cl"	69.938804
"554661"	668.315152	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+2Cl"	69.938804
"1034765"	246.084652	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2Cl"	69.938804
"1254350"	501.149385	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Br"	78.918885
"1319599"	503.205372	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Cl+HCOOH"	80.974872
"1335355"	525.187329	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Cl+NaCOOH"	102.956829
"926706"	535.216086	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M-H+CF3COOH"	112.985586
"1303981"	571.192764	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Cl+CF3COOH"	148.962264
"1381941"	387.217824	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H-2H2O"	-35.012676
"1397735"	405.2278	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H-H2O"	-17.0027
"298149"	845.468276	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+H"	1.007276
"690569"	1267.698776	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+H"	1.007276
"1366188"	423.237776	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H"	1.007276
"141098"	423.237776	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+2H"	2.014552
"578269"	634.353026	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+2H"	2.014552
"1045978"	212.122526	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2H"	2.014552
"216064"	282.494276	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+3H"	3.021828
"658544"	423.237776	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+3H"	3.021828
"1173750"	141.750776	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+3H"	3.021828
"434835"	862.494823	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+NH4"	18.033823
"799839"	1284.725323	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+NH4"	18.033823
"1688878"	440.264323	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+NH4"	18.033823
"332782"	431.7510495	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+H+NH4"	19.041099
"723501"	642.8662995	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+H+NH4"	19.041099
"1478292"	220.6357995	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H+NH4"	19.041099
"393568"	867.450218	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+Na"	22.989218
"756025"	1289.680718	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+Na"	22.989218
"1605705"	445.219718	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Na"	22.989218
"319021"	434.228747	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+H+Na"	23.996494
"712538"	645.343997	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+H+Na"	23.996494
"1465264"	223.113497	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H+Na"	23.996494
"1055230"	149.07809	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2H+Na"	25.00377
"1264563"	455.263986	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+CH3OH+H"	33.033486
"380949"	883.424158	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+K"	38.963158
"751434"	1305.654658	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+K"	38.963158
"1554585"	461.193658	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+K"	38.963158
"310668"	442.215717	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+H+K"	39.970434
"704551"	653.330967	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+H+K"	39.970434
"1459093"	231.100467	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H+K"	39.970434
"249885"	886.494826	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+ACN+H"	42.033826
"1222232"	464.264326	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+ACN+H"	42.033826
"1207206"	232.635801	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+ACN+2H"	43.041102
"197529"	889.43216	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+2Na-H"	44.97116
"639274"	1311.66266	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+2Na-H"	44.97116
"1143505"	467.20166	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2Na-H"	44.97116
"181692"	445.219718	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+2Na"	45.978436
"617242"	656.334968	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+2Na"	45.978436
"1120383"	234.104468	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2Na"	45.978436
"1402085"	156.405404	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H+2Na"	46.985712
"1432013"	469.243246	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H+HCOOH"	47.012746
"222804"	450.25274	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+3H2O+2H"	56.04448
"1513782"	483.29529	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+IsoProp+H"	61.06479
"411643"	453.206688	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+Na+K"	61.952376
"783219"	664.321938	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+Na+K"	61.952376
"1680289"	242.091438	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Na+K"	61.952376
"263890"	908.476768	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+ACN+Na"	64.015768
"1239150"	486.246268	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+ACN+Na"	64.015768
"1726578"	486.269793	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+NH4+HCOOH"	64.039293
"1191566"	163.732718	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+3Na"	68.967654
"1657451"	491.225188	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Na+HCOOH"	68.994688
"168687"	921.38004	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+2K-H"	76.91904
"604967"	1343.61054	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+2K-H"	76.91904
"1094945"	499.14954	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2K-H"	76.91904
"152855"	461.193658	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"2M+2K"	77.926316
"588043"	672.308908	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"3M+2K"	77.926316
"1076929"	250.078408	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2K"	77.926316
"1107954"	501.164092	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2K+H"	78.933592
"1348587"	501.251707	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+DMSO+H"	79.021207
"1009583"	505.290876	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2ACN+H"	83.060376
"1529896"	506.284508	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+IsoProp+Na+H"	84.054008
"997438"	253.149076	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+2ACN+2H"	84.067652
"1590116"	507.199128	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+K+HCOOH"	84.968628
"1417232"	537.230638	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+H+CF3COOH"	115.000138
"1147400"	273.662351	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+3ACN+2H"	125.094202
"1697005"	554.257185	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+NH4+CF3COOH"	132.026685
"1635281"	559.21258	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+Na+CF3COOH"	136.98208
"1580776"	575.18652	"C08776"	"Picrasin C;Nigakilactone J;Quassin"	"C23H34O7"	"422.2305"	"M+K+CF3COOH"	152.95602
"815882"	536.2258	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M"	0
"984677"	517.20741	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-H2O-H"	-19.01839
"73649"	356.476590666667	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M-3H"	-3.021828
"507014"	535.218524	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M-3H"	-3.021828
"883723"	177.734657333333	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-3H"	-3.021828
"4485"	535.218524	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M-2H"	-2.014552
"448420"	803.331424	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M-2H"	-2.014552
"822943"	267.105624	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-2H"	-2.014552
"80748"	1071.444324	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M-H"	-1.007276
"531240"	1607.670124	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M-H"	-1.007276
"902480"	535.218524	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-H"	-1.007276
"62689"	1088.470871	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M-2H+NH4"	16.019271
"489856"	1624.696671	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M-2H+NH4"	16.019271
"874217"	552.245071	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-2H+NH4"	16.019271
"41025"	1093.426266	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M-2H+Na"	20.974666
"481677"	1629.652066	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M-2H+Na"	20.974666
"855108"	557.200466	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-2H+Na"	20.974666
"1624642"	557.200466	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Na-2H"	20.974666
"98984"	553.206863	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M-H+Cl"	33.962126
"547300"	821.319763	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M-H+Cl"	33.962126
"938999"	285.093963	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-H+Cl"	33.962126
"280472"	1107.421002	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+Cl"	34.969402
"672528"	1643.646802	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+Cl"	34.969402
"1286751"	571.195202	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Cl"	34.969402
"28574"	1109.400206	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M-2H+K"	36.948606
"463030"	1645.626006	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M-2H+K"	36.948606
"843021"	573.174406	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-2H+K"	36.948606
"1561040"	573.174406	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+K-2H"	36.948606
"950017"	581.223994	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-H+HCOOH"	44.998194
"367138"	1117.449801	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+HCOOH-H"	44.998201
"352116"	1131.465451	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+Hac-H"	59.013851
"1500949"	595.239651	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Hac-H"	59.013851
"964116"	603.205951	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-H+NaCOOH"	66.980151
"123960"	571.195202	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+2Cl"	69.938804
"553677"	839.308102	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+2Cl"	69.938804
"1033420"	303.082302	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2Cl"	69.938804
"1254824"	615.144685	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Br"	78.918885
"1319468"	617.200672	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Cl+HCOOH"	80.974872
"1334656"	639.182629	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Cl+NaCOOH"	102.956829
"926860"	649.211386	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M-H+CF3COOH"	112.985586
"1304175"	685.188064	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Cl+CF3COOH"	148.962264
"1382286"	501.213124	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H-2H2O"	-35.012676
"1398284"	519.2231	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H-H2O"	-17.0027
"298454"	1073.458876	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+H"	1.007276
"691355"	1609.684676	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+H"	1.007276
"1367003"	537.233076	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H"	1.007276
"141276"	537.233076	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+2H"	2.014552
"576919"	805.345976	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+2H"	2.014552
"1051915"	269.120176	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2H"	2.014552
"219744"	358.491142666667	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+3H"	3.021828
"659875"	537.233076	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+3H"	3.021828
"1177385"	179.749209333333	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+3H"	3.021828
"439851"	1090.485423	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+NH4"	18.033823
"799585"	1626.711223	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+NH4"	18.033823
"1686802"	554.259623	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+NH4"	18.033823
"331920"	545.7463495	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+H+NH4"	19.041099
"724462"	813.8592495	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+H+NH4"	19.041099
"1477916"	277.6334495	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H+NH4"	19.041099
"393313"	1095.440818	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+Na"	22.989218
"755893"	1631.666618	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+Na"	22.989218
"1605815"	559.215018	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Na"	22.989218
"319131"	548.224047	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+H+Na"	23.996494
"712648"	816.336947	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+H+Na"	23.996494
"1465374"	280.111147	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H+Na"	23.996494
"1054241"	187.076523333333	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2H+Na"	25.00377
"1261392"	569.259286	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+CH3OH+H"	33.033486
"379600"	1111.414758	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+K"	38.963158
"751905"	1647.640558	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+K"	38.963158
"1553961"	575.188958	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+K"	38.963158
"310049"	556.211017	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+H+K"	39.970434
"705755"	824.323917	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+H+K"	39.970434
"1460300"	288.098117	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H+K"	39.970434
"248900"	1114.485426	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+ACN+H"	42.033826
"1224159"	578.259626	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+ACN+H"	42.033826
"1209179"	289.633451	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+ACN+2H"	43.041102
"202372"	1117.42276	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+2Na-H"	44.97116
"643269"	1653.64856	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+2Na-H"	44.97116
"1143978"	581.19696	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2Na-H"	44.97116
"183987"	559.215018	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+2Na"	45.978436
"621360"	827.327918	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+2Na"	45.978436
"1121585"	291.102118	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2Na"	45.978436
"1401830"	194.403837333333	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H+2Na"	46.985712
"1432851"	583.238546	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H+HCOOH"	47.012746
"222181"	564.24804	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+3H2O+2H"	56.04448
"1510972"	597.29059	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+IsoProp+H"	61.06479
"409929"	567.201988	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+Na+K"	61.952376
"781507"	835.314888	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+Na+K"	61.952376
"1679304"	299.089088	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Na+K"	61.952376
"265093"	1136.467368	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+ACN+Na"	64.015768
"1240354"	600.241568	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+ACN+Na"	64.015768
"1727416"	600.265093	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+NH4+HCOOH"	64.039293
"1193013"	201.731151333333	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+3Na"	68.967654
"1658655"	605.220488	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Na+HCOOH"	68.994688
"168796"	1149.37064	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+2K-H"	76.91904
"607266"	1685.59644	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+2K-H"	76.91904
"1091776"	613.14484	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2K-H"	76.91904
"154058"	575.188958	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"2M+2K"	77.926316
"589246"	843.301858	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"3M+2K"	77.926316
"1075945"	307.076058	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2K"	77.926316
"1104784"	615.159392	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2K+H"	78.933592
"1343354"	615.247007	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+DMSO+H"	79.021207
"1008600"	619.286176	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2ACN+H"	83.060376
"1531101"	620.279808	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+IsoProp+Na+H"	84.054008
"992082"	310.146726	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+2ACN+2H"	84.067652
"1589861"	621.194428	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+K+HCOOH"	84.968628
"1416612"	651.225938	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+H+CF3COOH"	115.000138
"1147632"	330.660001	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+3ACN+2H"	125.094202
"1697224"	668.252485	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+NH4+CF3COOH"	132.026685
"1634298"	673.20788	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+Na+CF3COOH"	136.98208
"1580886"	689.18182	"C08777"	"Quassimarin"	"C27H36O11"	"536.2258"	"M+K+CF3COOH"	152.95602
"815263"	388.1886	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M"	0
"984786"	369.17021	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-H2O-H"	-19.01839
"75216"	257.785124	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M-3H"	-3.021828
"509311"	387.181324	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M-3H"	-3.021828
"883833"	128.388924	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-3H"	-3.021828
"4595"	387.181324	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M-2H"	-2.014552
"447437"	581.275624	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M-2H"	-2.014552
"820867"	193.087024	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-2H"	-2.014552
"80858"	775.369924	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M-H"	-1.007276
"529164"	1163.558524	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M-H"	-1.007276
"900038"	387.181324	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-H"	-1.007276
"62189"	792.396471	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M-2H+NH4"	16.019271
"493245"	1180.585071	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M-2H+NH4"	16.019271
"873234"	404.207871	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-2H+NH4"	16.019271
"43321"	797.351866	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M-2H+Na"	20.974666
"477414"	1185.540466	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M-2H+Na"	20.974666
"854125"	409.163266	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-2H+Na"	20.974666
"1622566"	409.163266	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Na-2H"	20.974666
"99094"	405.169663	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M-H+Cl"	33.962126
"546682"	599.263963	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M-H+Cl"	33.962126
"940201"	211.075363	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-H+Cl"	33.962126
"281675"	811.346602	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+Cl"	34.969402
"673364"	1199.535202	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+Cl"	34.969402
"1286861"	423.158002	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Cl"	34.969402
"25768"	813.325806	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M-2H+K"	36.948606
"463140"	1201.514406	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M-2H+K"	36.948606
"843131"	425.137206	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-2H+K"	36.948606
"1562243"	425.137206	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+K-2H"	36.948606
"949034"	433.186794	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-H+HCOOH"	44.998194
"366155"	821.375401	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+HCOOH-H"	44.998201
"353319"	835.391051	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+Hac-H"	59.013851
"1497779"	447.202451	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Hac-H"	59.013851
"962039"	455.168751	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-H+NaCOOH"	66.980151
"123706"	423.158002	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+2Cl"	69.938804
"554880"	617.252302	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+2Cl"	69.938804
"1034624"	229.063702	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2Cl"	69.938804
"1254205"	467.107485	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Br"	78.918885
"1314463"	469.163472	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Cl+HCOOH"	80.974872
"1334396"	491.145429	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Cl+NaCOOH"	102.956829
"925822"	501.174186	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M-H+CF3COOH"	112.985586
"1301189"	537.150864	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Cl+CF3COOH"	148.962264
"1382153"	353.175924	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H-2H2O"	-35.012676
"1397948"	371.1859	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H-H2O"	-17.0027
"298406"	777.384476	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+H"	1.007276
"691361"	1165.573076	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+H"	1.007276
"1364940"	389.195876	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H"	1.007276
"134183"	389.195876	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+2H"	2.014552
"577029"	583.290176	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+2H"	2.014552
"1050566"	195.101576	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2H"	2.014552
"217378"	259.799676	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+3H"	3.021828
"659449"	389.195876	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+3H"	3.021828
"1175064"	130.403476	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+3H"	3.021828
"438335"	794.411023	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+NH4"	18.033823
"796048"	1182.599623	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+NH4"	18.033823
"1686912"	406.222423	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+NH4"	18.033823
"331909"	397.7091495	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+H+NH4"	19.041099
"722824"	591.8034495	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+H+NH4"	19.041099
"1477378"	203.6148495	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H+NH4"	19.041099
"395734"	799.366418	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+Na"	22.989218
"755639"	1187.555018	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+Na"	22.989218
"1604102"	411.177818	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Na"	22.989218
"316082"	400.186847	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+H+Na"	23.996494
"711665"	594.281147	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+H+Na"	23.996494
"1465484"	206.092547	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H+Na"	23.996494
"1053256"	137.73079	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2H+Na"	25.00377
"1258220"	421.222086	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+CH3OH+H"	33.033486
"378856"	815.340358	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+K"	38.963158
"749828"	1203.528958	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+K"	38.963158
"1554070"	427.151758	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+K"	38.963158
"307972"	408.173817	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+H+K"	39.970434
"705862"	602.268117	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+H+K"	39.970434
"1456401"	214.079517	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H+K"	39.970434
"247187"	818.411026	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+ACN+H"	42.033826
"1219897"	430.222426	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+ACN+H"	42.033826
"1207058"	215.614851	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+ACN+2H"	43.041102
"201752"	821.34836	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+2Na-H"	44.97116
"641677"	1209.53696	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+2Na-H"	44.97116
"1144088"	433.15976	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2Na-H"	44.97116
"183004"	411.177818	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+2Na"	45.978436
"618190"	605.272118	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+2Na"	45.978436
"1118415"	217.083518	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2Na"	45.978436
"1398573"	145.058104	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H+2Na"	46.985712
"1429981"	435.201346	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H+HCOOH"	47.012746
"220343"	416.21084	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+3H2O+2H"	56.04448
"1508575"	449.25339	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+IsoProp+H"	61.06479
"409060"	419.164788	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+Na+K"	61.952376
"780524"	613.259088	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+Na+K"	61.952376
"1678685"	225.070488	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Na+K"	61.952376
"264110"	840.392968	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+ACN+Na"	64.015768
"1239614"	452.204368	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+ACN+Na"	64.015768
"1728017"	452.227893	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+NH4+HCOOH"	64.039293
"1193002"	152.385418	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+3Na"	68.967654
"1663137"	457.183288	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Na+HCOOH"	68.994688
"168907"	853.29624	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+2K-H"	76.91904
"609560"	1241.48484	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+2K-H"	76.91904
"1098325"	465.10764	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2K-H"	76.91904
"153077"	427.151758	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"2M+2K"	77.926316
"591542"	621.246058	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"3M+2K"	77.926316
"1080430"	233.057458	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2K"	77.926316
"1104893"	467.122192	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2K+H"	78.933592
"1340183"	467.209807	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+DMSO+H"	79.021207
"1014177"	471.248976	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2ACN+H"	83.060376
"1529024"	472.242608	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+IsoProp+Na+H"	84.054008
"992192"	236.128126	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+2ACN+2H"	84.067652
"1589972"	473.157228	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+K+HCOOH"	84.968628
"1415993"	503.188738	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+H+CF3COOH"	115.000138
"1147863"	256.641401	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+3ACN+2H"	125.094202
"1697296"	520.215285	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+NH4+CF3COOH"	132.026685
"1634529"	525.17068	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+Na+CF3COOH"	136.98208
"1580996"	541.14462	"C08778"	"Quassin;Nigakilactone D"	"C22H28O6"	"388.1886"	"M+K+CF3COOH"	152.95602
"814280"	486.189	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M"	0
"987083"	467.17061	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-H2O-H"	-19.01839
"77028"	323.118724	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M-3H"	-3.021828
"511608"	485.181724	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M-3H"	-3.021828
"883943"	161.055724	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-3H"	-3.021828
"7986"	485.181724	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M-2H"	-2.014552
"446454"	728.276224	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M-2H"	-2.014552
"820977"	242.087224	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-2H"	-2.014552
"80968"	971.370724	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M-H"	-1.007276
"530368"	1457.559724	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M-H"	-1.007276
"910233"	485.181724	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-H"	-1.007276
"61819"	988.397271	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M-2H+NH4"	16.019271
"497729"	1474.586271	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M-2H+NH4"	16.019271
"875531"	502.208271	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-2H+NH4"	16.019271
"46591"	993.352666	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M-2H+Na"	20.974666
"481898"	1479.541666	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M-2H+Na"	20.974666
"857515"	507.163666	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-2H+Na"	20.974666
"1624863"	507.163666	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Na-2H"	20.974666
"100298"	503.170063	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M-H+Cl"	33.962126
"547520"	746.264563	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M-H+Cl"	33.962126
"942258"	260.075563	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-H+Cl"	33.962126
"282604"	1007.347402	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+Cl"	34.969402
"670921"	1493.536402	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+Cl"	34.969402
"1286970"	521.158402	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Cl"	34.969402
"28066"	1009.326606	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M-2H+K"	36.948606
"465437"	1495.515606	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M-2H+K"	36.948606
"843241"	523.137606	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-2H+K"	36.948606
"1562353"	523.137606	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+K-2H"	36.948606
"948050"	531.187194	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-H+HCOOH"	44.998194
"367359"	1017.376201	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+HCOOH-H"	44.998201
"351243"	1031.391851	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+Hac-H"	59.013851
"1500076"	545.202851	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Hac-H"	59.013851
"962149"	553.169151	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-H+NaCOOH"	66.980151
"123087"	521.158402	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+2Cl"	69.938804
"553897"	764.252902	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+2Cl"	69.938804
"1035459"	278.063902	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2Cl"	69.938804
"1254680"	565.107885	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Br"	78.918885
"1315666"	567.163872	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Cl+HCOOH"	80.974872
"1332072"	589.145829	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Cl+NaCOOH"	102.956829
"925688"	599.174586	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M-H+CF3COOH"	112.985586
"1302758"	635.151264	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Cl+CF3COOH"	148.962264
"1382139"	451.176324	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H-2H2O"	-35.012676
"1397690"	469.1863	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H-H2O"	-17.0027
"297949"	973.385276	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+H"	1.007276
"690284"	1459.574276	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+H"	1.007276
"1364322"	487.196276	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H"	1.007276
"133565"	487.196276	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+2H"	2.014552
"574952"	730.290776	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+2H"	2.014552
"1046303"	244.101776	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2H"	2.014552
"212021"	325.133276	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+3H"	3.021828
"653767"	487.196276	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+3H"	3.021828
"1174080"	163.070276	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+3H"	3.021828
"437351"	990.411823	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+NH4"	18.033823
"795065"	1476.600823	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+NH4"	18.033823
"1687022"	504.222823	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+NH4"	18.033823
"330438"	495.7095495	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+H+NH4"	19.041099
"722884"	738.8040495	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+H+NH4"	19.041099
"1477768"	252.6150495	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H+NH4"	19.041099
"394751"	995.367218	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+Na"	22.989218
"754247"	1481.556218	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+Na"	22.989218
"1604942"	509.178218	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Na"	22.989218
"315099"	498.187247	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+H+Na"	23.996494
"707126"	741.281747	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+H+Na"	23.996494
"1461417"	255.092747	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H+Na"	23.996494
"1053612"	170.39759	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2H+Na"	25.00377
"1259421"	519.222486	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+CH3OH+H"	33.033486
"378117"	1011.341158	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+K"	38.963158
"749938"	1497.530158	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+K"	38.963158
"1553087"	525.152158	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+K"	38.963158
"309176"	506.174217	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+H+K"	39.970434
"704878"	749.268717	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+H+K"	39.970434
"1456511"	263.079717	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H+K"	39.970434
"246203"	1014.411826	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+ACN+H"	42.033826
"1221829"	528.222826	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+ACN+H"	42.033826
"1206075"	264.615051	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+ACN+2H"	43.041102
"200040"	1017.34916	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+2Na-H"	44.97116
"640329"	1503.53816	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+2Na-H"	44.97116
"1139825"	531.16016	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2Na-H"	44.97116
"183114"	509.178218	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+2Na"	45.978436
"618299"	752.272718	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+2Na"	45.978436
"1116336"	266.083718	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2Na"	45.978436
"1399619"	177.724904	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H+2Na"	46.985712
"1429983"	533.201746	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H+HCOOH"	47.012746
"220290"	514.21124	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+3H2O+2H"	56.04448
"1509241"	547.25379	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+IsoProp+H"	61.06479
"408968"	517.165188	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+Na+K"	61.952376
"780998"	760.259688	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+Na+K"	61.952376
"1677703"	274.070688	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Na+K"	61.952376
"264219"	1036.393768	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+ACN+Na"	64.015768
"1239116"	550.204768	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+ACN+Na"	64.015768
"1728326"	550.228293	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+NH4+HCOOH"	64.039293
"1191168"	185.052218	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+3Na"	68.967654
"1659967"	555.183688	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Na+HCOOH"	68.994688
"170110"	1049.29704	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+2K-H"	76.91904
"609670"	1535.48604	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+2K-H"	76.91904
"1098314"	563.10804	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2K-H"	76.91904
"156104"	525.152158	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"2M+2K"	77.926316
"593839"	768.246658	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"3M+2K"	77.926316
"1081634"	282.057658	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2K"	77.926316
"1105003"	565.122592	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2K+H"	78.933592
"1341387"	565.210207	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+DMSO+H"	79.021207
"1014287"	569.249376	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2ACN+H"	83.060376
"1530228"	570.243008	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+IsoProp+Na+H"	84.054008
"992302"	285.128326	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+2ACN+2H"	84.067652
"1589353"	571.157628	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+K+HCOOH"	84.968628
"1417929"	601.189138	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+H+CF3COOH"	115.000138
"1147609"	305.641601	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+3ACN+2H"	125.094202
"1698135"	618.215685	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+NH4+CF3COOH"	132.026685
"1634639"	623.17108	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+Na+CF3COOH"	136.98208
"1581106"	639.14502	"C08779"	"Rutaevin"	"C26H30O9"	"486.189"	"M+K+CF3COOH"	152.95602
"814755"	596.2985	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M"	0
"986465"	577.28011	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-H2O-H"	-19.01839
"75801"	396.525057333333	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M-3H"	-3.021828
"511720"	595.291224	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M-3H"	-3.021828
"887333"	197.758890666667	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-3H"	-3.021828
"7002"	595.291224	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M-2H"	-2.014552
"442191"	893.440474	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M-2H"	-2.014552
"819994"	297.141974	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-2H"	-2.014552
"81078"	1191.589724	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M-H"	-1.007276
"529749"	1787.888224	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M-H"	-1.007276
"907916"	595.291224	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-H"	-1.007276
"60106"	1208.616271	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M-2H+NH4"	16.019271
"498932"	1804.914771	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M-2H+NH4"	16.019271
"876739"	612.317771	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-2H+NH4"	16.019271
"44634"	1213.571666	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M-2H+Na"	20.974666
"484195"	1809.870166	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M-2H+Na"	20.974666
"858718"	617.273166	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-2H+Na"	20.974666
"1627160"	617.273166	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Na-2H"	20.974666
"101501"	613.279563	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M-H+Cl"	33.962126
"546174"	911.428813	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M-H+Cl"	33.962126
"942682"	315.130313	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-H+Cl"	33.962126
"282713"	1227.566402	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+Cl"	34.969402
"669939"	1823.864902	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+Cl"	34.969402
"1285988"	631.267902	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Cl"	34.969402
"28178"	1229.545606	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M-2H+K"	36.948606
"469557"	1825.844106	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M-2H+K"	36.948606
"843351"	633.247106	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-2H+K"	36.948606
"1563557"	633.247106	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+K-2H"	36.948606
"948160"	641.296694	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-H+HCOOH"	44.998194
"367469"	1237.595201	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+HCOOH-H"	44.998201
"352446"	1251.610851	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+Hac-H"	59.013851
"1497999"	655.312351	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Hac-H"	59.013851
"961164"	663.278651	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-H+NaCOOH"	66.980151
"123197"	631.267902	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+2Cl"	69.938804
"553278"	929.417152	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+2Cl"	69.938804
"1026089"	333.118652	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2Cl"	69.938804
"1252237"	675.217385	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Br"	78.918885
"1316505"	677.273372	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Cl+HCOOH"	80.974872
"1332546"	699.255329	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Cl+NaCOOH"	102.956829
"925432"	709.284086	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M-H+CF3COOH"	112.985586
"1301043"	745.260764	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Cl+CF3COOH"	148.962264
"1378112"	561.285824	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H-2H2O"	-35.012676
"1397683"	579.2958	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H-H2O"	-17.0027
"296391"	1193.604276	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+H"	1.007276
"690637"	1789.902776	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+H"	1.007276
"1363703"	597.305776	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H"	1.007276
"131487"	597.305776	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+2H"	2.014552
"575426"	895.455026	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+2H"	2.014552
"1047506"	299.156526	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2H"	2.014552
"215409"	398.539609333333	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+3H"	3.021828
"653876"	597.305776	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+3H"	3.021828
"1172000"	199.773442666667	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+3H"	3.021828
"434181"	1210.630823	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+NH4"	18.033823
"795175"	1806.929323	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+NH4"	18.033823
"1687132"	614.332323	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+NH4"	18.033823
"332129"	605.8190495	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+H+NH4"	19.041099
"723248"	903.9682995	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+H+NH4"	19.041099
"1478004"	307.6697995	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H+NH4"	19.041099
"394861"	1215.586218	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+Na"	22.989218
"756950"	1811.884718	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+Na"	22.989218
"1605052"	619.287718	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Na"	22.989218
"316180"	608.296747	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+H+Na"	23.996494
"708479"	906.445997	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+H+Na"	23.996494
"1462784"	310.147497	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H+Na"	23.996494
"1056030"	207.100756666667	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2H+Na"	25.00377
"1259531"	629.331986	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+CH3OH+H"	33.033486
"378835"	1231.560158	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+K"	38.963158
"748955"	1827.858658	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+K"	38.963158
"1553562"	635.261658	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+K"	38.963158
"308192"	616.283717	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+H+K"	39.970434
"706082"	914.432967	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+H+K"	39.970434
"1456621"	318.134467	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H+K"	39.970434
"244126"	1234.630826	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+ACN+H"	42.033826
"1220844"	638.332326	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+ACN+H"	42.033826
"1203998"	319.669801	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+ACN+2H"	43.041102
"198693"	1237.56816	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+2Na-H"	44.97116
"637524"	1833.86666	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+2Na-H"	44.97116
"1141028"	641.26966	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2Na-H"	44.97116
"183224"	619.287718	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+2Na"	45.978436
"618409"	917.436968	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+2Na"	45.978436
"1116080"	321.138468	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2Na"	45.978436
"1399243"	214.428070666667	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H+2Na"	46.985712
"1430012"	643.311246	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H+HCOOH"	47.012746
"220922"	624.32074	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+3H2O+2H"	56.04448
"1510197"	657.36329	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+IsoProp+H"	61.06479
"408628"	627.274688	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+Na+K"	61.952376
"781472"	925.423938	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+Na+K"	61.952376
"1677813"	329.125438	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Na+K"	61.952376
"265423"	1256.612768	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+ACN+Na"	64.015768
"1237042"	660.314268	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+ACN+Na"	64.015768
"1727869"	660.337793	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+NH4+HCOOH"	64.039293
"1193465"	221.755384666667	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+3Na"	68.967654
"1663358"	665.293188	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Na+HCOOH"	68.994688
"170221"	1269.51604	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+2K-H"	76.91904
"609781"	1865.81454	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+2K-H"	76.91904
"1098911"	673.21754	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2K-H"	76.91904
"154389"	635.261658	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"2M+2K"	77.926316
"593948"	933.410908	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"3M+2K"	77.926316
"1079555"	337.112408	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2K"	77.926316
"1112036"	675.232092	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2K+H"	78.933592
"1338216"	675.319707	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+DMSO+H"	79.021207
"1012211"	679.358876	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2ACN+H"	83.060376
"1528151"	680.352508	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+IsoProp+Na+H"	84.054008
"991319"	340.183076	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+2ACN+2H"	84.067652
"1589826"	681.267128	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+K+HCOOH"	84.968628
"1419132"	711.298638	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+H+CF3COOH"	115.000138
"1147597"	360.696351	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+3ACN+2H"	125.094202
"1697880"	728.325185	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+NH4+CF3COOH"	132.026685
"1634216"	733.28058	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+Na+CF3COOH"	136.98208
"1581216"	749.25452	"C08780"	"Salannin"	"C34H44O9"	"596.2985"	"M+K+CF3COOH"	152.95602
"816728"	330.1103	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M"	0
"985116"	311.09191	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-H2O-H"	-19.01839
"71172"	219.066257333333	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M-3H"	-3.021828
"506361"	329.103024	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M-3H"	-3.021828
"887444"	109.029490666667	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-3H"	-3.021828
"6019"	329.103024	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M-2H"	-2.014552
"444488"	494.158174	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M-2H"	-2.014552
"820104"	164.047874	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-2H"	-2.014552
"82282"	659.213324	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M-H"	-1.007276
"530587"	989.323624	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M-H"	-1.007276
"906201"	329.103024	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-H"	-1.007276
"60211"	676.239871	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M-2H+NH4"	16.019271
"495763"	1006.350171	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M-2H+NH4"	16.019271
"872469"	346.129571	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-2H+NH4"	16.019271
"42557"	681.195266	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M-2H+Na"	20.974666
"475556"	1011.305566	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M-2H+Na"	20.974666
"854454"	351.084966	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-2H+Na"	20.974666
"1623990"	351.084966	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Na-2H"	20.974666
"101611"	347.091363	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M-H+Cl"	33.962126
"547380"	512.146513	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M-H+Cl"	33.962126
"941142"	182.036213	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-H+Cl"	33.962126
"282256"	695.190002	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+Cl"	34.969402
"675036"	1025.300302	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+Cl"	34.969402
"1286098"	365.079702	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Cl"	34.969402
"28289"	697.169206	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M-2H+K"	36.948606
"469668"	1027.279506	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M-2H+K"	36.948606
"846013"	367.058906	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-2H+K"	36.948606
"1563667"	367.058906	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+K-2H"	36.948606
"955926"	375.108494	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-H+HCOOH"	44.998194
"371954"	705.218801	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+HCOOH-H"	44.998201
"353650"	719.234451	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+Hac-H"	59.013851
"1505763"	389.124151	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Hac-H"	59.013851
"963462"	397.090451	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-H+NaCOOH"	66.980151
"123306"	365.079702	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+2Cl"	69.938804
"554117"	530.134852	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+2Cl"	69.938804
"1030571"	200.024552	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2Cl"	69.938804
"1251981"	409.029185	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Br"	78.918885
"1313699"	411.085172	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Cl+HCOOH"	80.974872
"1332656"	433.067129	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Cl+NaCOOH"	102.956829
"924453"	443.095886	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M-H+CF3COOH"	112.985586
"1302617"	479.072564	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Cl+CF3COOH"	148.962264
"1381871"	295.097624	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H-2H2O"	-35.012676
"1397670"	313.1076	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H-H2O"	-17.0027
"293219"	661.227876	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+H"	1.007276
"684544"	991.338176	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+H"	1.007276
"1357612"	331.117576	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H"	1.007276
"134513"	331.117576	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+2H"	2.014552
"575539"	496.172726	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+2H"	2.014552
"1049077"	166.062426	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2H"	2.014552
"217707"	221.080809333333	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+3H"	3.021828
"656173"	331.117576	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+3H"	3.021828
"1175024"	111.044042666667	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+3H"	3.021828
"431011"	678.254423	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+NH4"	18.033823
"796378"	1008.364723	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+NH4"	18.033823
"1689429"	348.144123	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+NH4"	18.033823
"335520"	339.6308495	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+H+NH4"	19.041099
"732315"	504.6859995	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+H+NH4"	19.041099
"1485042"	174.5756995	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H+NH4"	19.041099
"398253"	683.209818	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+Na"	22.989218
"757061"	1013.320118	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+Na"	22.989218
"1606255"	353.099518	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Na"	22.989218
"317384"	342.108547	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+H+Na"	23.996494
"710170"	507.163697	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+H+Na"	23.996494
"1464718"	177.053397	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H+Na"	23.996494
"1055778"	118.371356666667	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2H+Na"	25.00377
"1261099"	363.143786	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+CH3OH+H"	33.033486
"379674"	699.183758	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+K"	38.963158
"751254"	1029.294058	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+K"	38.963158
"1551121"	369.073458	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+K"	38.963158
"310490"	350.095517	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+H+K"	39.970434
"701816"	515.150667	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+H+K"	39.970434
"1456731"	185.040367	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H+K"	39.970434
"247152"	702.254426	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+ACN+H"	42.033826
"1219131"	372.144126	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+ACN+H"	42.033826
"1205930"	186.575701	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+ACN+2H"	43.041102
"199532"	705.19176	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+2Na-H"	44.97116
"637631"	1035.30206	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+2Na-H"	44.97116
"1141138"	375.08146	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2Na-H"	44.97116
"183334"	353.099518	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+2Na"	45.978436
"618520"	518.154668	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+2Na"	45.978436
"1124213"	188.044368	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2Na"	45.978436
"1402271"	125.698670666667	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H+2Na"	46.985712
"1431105"	377.123046	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H+HCOOH"	47.012746
"220307"	358.13254	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+3H2O+2H"	56.04448
"1509945"	391.17509	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+IsoProp+H"	61.06479
"408949"	361.086488	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+Na+K"	61.952376
"780489"	526.141638	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+Na+K"	61.952376
"1679016"	196.031338	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Na+K"	61.952376
"262257"	724.236368	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+ACN+Na"	64.015768
"1237517"	394.126068	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+ACN+Na"	64.015768
"1724946"	394.149593	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+NH4+HCOOH"	64.039293
"1191389"	133.025984666667	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+3Na"	68.967654
"1662375"	399.104988	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Na+HCOOH"	68.994688
"169236"	737.13964	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+2K-H"	76.91904
"607704"	1067.24994	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+2K-H"	76.91904
"1098047"	407.02934	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2K-H"	76.91904
"151218"	369.073458	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"2M+2K"	77.926316
"591871"	534.128608	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"3M+2K"	77.926316
"1080757"	204.018308	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2K"	77.926316
"1112874"	409.043892	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2K+H"	78.933592
"1338328"	409.131507	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+DMSO+H"	79.021207
"1011229"	413.170676	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2ACN+H"	83.060376
"1532635"	414.164308	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+IsoProp+Na+H"	84.054008
"995805"	207.088976	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+2ACN+2H"	84.067652
"1590301"	415.078928	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+K+HCOOH"	84.968628
"1414867"	445.110438	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+H+CF3COOH"	115.000138
"1147464"	227.602251	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+3ACN+2H"	125.094202
"1698351"	462.136985	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+NH4+CF3COOH"	132.026685
"1634246"	467.09238	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+Na+CF3COOH"	136.98208
"1581326"	483.06632	"C08781"	"Samaderin A"	"C18H18O6"	"330.1103"	"M+K+CF3COOH"	152.95602
"816433"	504.1632	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M"	0
"981947"	485.14481	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-H2O-H"	-19.01839
"71282"	335.101524	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M-3H"	-3.021828
"508657"	503.155924	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M-3H"	-3.021828
"882087"	167.047124	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-3H"	-3.021828
"7222"	503.155924	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M-2H"	-2.014552
"447877"	755.237524	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M-2H"	-2.014552
"824587"	251.074324	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-2H"	-2.014552
"89320"	1007.319124	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M-H"	-1.007276
"530697"	1511.482324	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M-H"	-1.007276
"906311"	503.155924	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-H"	-1.007276
"58498"	1024.345671	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M-2H+NH4"	16.019271
"498060"	1528.508871	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M-2H+NH4"	16.019271
"875859"	520.182471	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-2H+NH4"	16.019271
"42667"	1029.301066	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M-2H+Na"	20.974666
"476759"	1533.464266	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M-2H+Na"	20.974666
"856751"	525.137866	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-2H+Na"	20.974666
"1626286"	525.137866	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Na-2H"	20.974666
"105001"	521.144263	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M-H+Cl"	33.962126
"548218"	773.225863	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M-H+Cl"	33.962126
"941619"	269.062663	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-H+Cl"	33.962126
"282494"	1043.295802	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+Cl"	34.969402
"675026"	1547.459002	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+Cl"	34.969402
"1286573"	539.132602	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Cl"	34.969402
"28763"	1045.275006	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M-2H+K"	36.948606
"468684"	1549.438206	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M-2H+K"	36.948606
"846487"	541.111806	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-2H+K"	36.948606
"1564870"	541.111806	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+K-2H"	36.948606
"954943"	549.161394	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-H+HCOOH"	44.998194
"372066"	1053.324601	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+HCOOH-H"	44.998201
"353760"	1067.340251	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+Hac-H"	59.013851
"1505873"	563.177051	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Hac-H"	59.013851
"965758"	571.143351	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-H+NaCOOH"	66.980151
"123416"	539.132602	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+2Cl"	69.938804
"555685"	791.214202	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+2Cl"	69.938804
"1028493"	287.051002	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2Cl"	69.938804
"1251361"	583.082085	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Br"	78.918885
"1310527"	585.138072	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Cl+HCOOH"	80.974872
"1331307"	607.120029	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Cl+NaCOOH"	102.956829
"926794"	617.148786	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M-H+CF3COOH"	112.985586
"1303458"	653.125464	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Cl+CF3COOH"	148.962264
"1382728"	469.150524	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H-2H2O"	-35.012676
"1398022"	487.1605	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H-H2O"	-17.0027
"295515"	1009.333676	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+H"	1.007276
"685747"	1513.496876	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+H"	1.007276
"1359544"	505.170476	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H"	1.007276
"134987"	505.170476	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+2H"	2.014552
"576741"	757.252076	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+2H"	2.014552
"1048457"	253.088876	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2H"	2.014552
"214534"	337.116076	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+3H"	3.021828
"650813"	505.170476	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+3H"	3.021828
"1170031"	169.061676	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+3H"	3.021828
"427838"	1026.360223	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+NH4"	18.033823
"786767"	1530.523423	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+NH4"	18.033823
"1681636"	522.197023	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+NH4"	18.033823
"330888"	513.6837495	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+H+NH4"	19.041099
"726957"	765.7653495	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+H+NH4"	19.041099
"1478590"	261.6021495	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H+NH4"	19.041099
"394715"	1031.315618	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+Na"	22.989218
"755347"	1535.478818	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+Na"	22.989218
"1607458"	527.152418	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Na"	22.989218
"319680"	516.161447	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+H+Na"	23.996494
"712102"	768.243047	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+H+Na"	23.996494
"1464828"	264.079847	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H+Na"	23.996494
"1056981"	176.38899	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2H+Na"	25.00377
"1260845"	537.196686	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+CH3OH+H"	33.033486
"380877"	1047.289558	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+K"	38.963158
"753915"	1551.452758	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+K"	38.963158
"1555118"	543.126358	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+K"	38.963158
"313510"	524.148417	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+H+K"	39.970434
"704105"	776.230017	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+H+K"	39.970434
"1458664"	272.066817	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H+K"	39.970434
"247992"	1050.360226	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+ACN+H"	42.033826
"1221429"	546.197026	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+ACN+H"	42.033826
"1204948"	273.602151	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+ACN+2H"	43.041102
"200735"	1053.29756	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+2Na-H"	44.97116
"638836"	1557.46076	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+2Na-H"	44.97116
"1143800"	549.13436	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2Na-H"	44.97116
"184537"	527.152418	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+2Na"	45.978436
"618630"	779.234018	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+2Na"	45.978436
"1118856"	275.070818	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2Na"	45.978436
"1403474"	183.716304	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H+2Na"	46.985712
"1431336"	551.175946	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H+HCOOH"	47.012746
"220664"	532.18544	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+3H2O+2H"	56.04448
"1509815"	565.22799	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+IsoProp+H"	61.06479
"409747"	535.139388	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+Na+K"	61.952376
"781329"	787.220988	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+Na+K"	61.952376
"1681037"	283.057788	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Na+K"	61.952376
"266134"	1072.342168	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+ACN+Na"	64.015768
"1240055"	568.178968	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+ACN+Na"	64.015768
"1725419"	568.202493	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+NH4+HCOOH"	64.039293
"1192231"	191.043618	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+3Na"	68.967654
"1662484"	573.157888	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Na+HCOOH"	68.994688
"171655"	1085.24544	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+2K-H"	76.91904
"608905"	1589.40864	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+2K-H"	76.91904
"1093418"	581.08224	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2K-H"	76.91904
"151328"	543.126358	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"2M+2K"	77.926316
"591981"	795.207958	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"3M+2K"	77.926316
"1080504"	291.044758	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2K"	77.926316
"1109703"	583.096792	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2K+H"	78.933592
"1340625"	583.184407	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+DMSO+H"	79.021207
"1010246"	587.223576	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2ACN+H"	83.060376
"1531652"	588.217208	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+IsoProp+Na+H"	84.054008
"993729"	294.115426	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+2ACN+2H"	84.067652
"1587619"	589.131828	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+K+HCOOH"	84.968628
"1414734"	619.163338	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+H+CF3COOH"	115.000138
"1147211"	314.628701	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+3ACN+2H"	125.094202
"1697142"	636.189885	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+NH4+CF3COOH"	132.026685
"1637035"	641.14528	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+Na+CF3COOH"	136.98208
"1581436"	657.11922	"C08782"	"Sergeolide"	"C25H28O11"	"504.1632"	"M+K+CF3COOH"	152.95602
"815083"	478.2203	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M"	0
"983150"	459.20191	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-H2O-H"	-19.01839
"71392"	317.806257333333	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M-3H"	-3.021828
"508767"	477.213024	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M-3H"	-3.021828
"883290"	158.399490666667	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-3H"	-3.021828
"7332"	477.213024	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M-2H"	-2.014552
"447987"	716.323174	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M-2H"	-2.014552
"822510"	238.102874	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-2H"	-2.014552
"84689"	955.433324	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M-H"	-1.007276
"531901"	1433.653624	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M-H"	-1.007276
"909702"	477.213024	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-H"	-1.007276
"61404"	972.459871	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M-2H+NH4"	16.019271
"501086"	1450.680171	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M-2H+NH4"	16.019271
"877064"	494.239571	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-2H+NH4"	16.019271
"38404"	977.415266	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M-2H+Na"	20.974666
"482336"	1455.635566	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M-2H+Na"	20.974666
"851394"	499.194966	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-2H+Na"	20.974666
"1620929"	499.194966	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Na-2H"	20.974666
"101831"	495.201363	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M-H+Cl"	33.962126
"547600"	734.311513	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M-H+Cl"	33.962126
"939654"	256.091213	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-H+Cl"	33.962126
"282520"	991.410002	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+Cl"	34.969402
"673915"	1469.630302	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+Cl"	34.969402
"1286683"	513.189702	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Cl"	34.969402
"27411"	993.389206	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M-2H+K"	36.948606
"469523"	1471.609506	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M-2H+K"	36.948606
"846237"	515.168906	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-2H+K"	36.948606
"1570858"	515.168906	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+K-2H"	36.948606
"956511"	523.218494	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-H+HCOOH"	44.998194
"374727"	1001.438801	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+HCOOH-H"	44.998201
"359706"	1015.454451	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+Hac-H"	59.013851
"1505983"	537.234151	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Hac-H"	59.013851
"966963"	545.200451	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-H+NaCOOH"	66.980151
"124619"	513.189702	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+2Cl"	69.938804
"559805"	752.299852	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+2Cl"	69.938804
"1030792"	274.079552	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2Cl"	69.938804
"1247095"	557.139185	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Br"	78.918885
"1312824"	559.195172	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Cl+HCOOH"	80.974872
"1328134"	581.177129	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Cl+NaCOOH"	102.956829
"922474"	591.205886	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M-H+CF3COOH"	112.985586
"1302834"	627.182564	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Cl+CF3COOH"	148.962264
"1382090"	443.207624	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H-2H2O"	-35.012676
"1394850"	461.2176	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H-H2O"	-17.0027
"295625"	957.447876	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+H"	1.007276
"686586"	1435.668176	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+H"	1.007276
"1364758"	479.227576	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H"	1.007276
"135458"	479.227576	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+2H"	2.014552
"574666"	718.337726	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+2H"	2.014552
"1047838"	240.117426	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2H"	2.014552
"213551"	319.820809333333	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+3H"	3.021828
"649830"	479.227576	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+3H"	3.021828
"1172328"	160.414042666667	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+3H"	3.021828
"427948"	974.474423	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+NH4"	18.033823
"790036"	1452.694723	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+NH4"	18.033823
"1682718"	496.254123	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+NH4"	18.033823
"333550"	487.7408495	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+H+NH4"	19.041099
"723417"	726.8509995	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+H+NH4"	19.041099
"1479427"	248.6306995	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H+NH4"	19.041099
"395190"	979.429818	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+Na"	22.989218
"755941"	1457.650118	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+Na"	22.989218
"1611940"	501.209518	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Na"	22.989218
"320883"	490.218547	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+H+Na"	23.996494
"715492"	729.328697	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+H+Na"	23.996494
"1464938"	251.108397	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H+Na"	23.996494
"1055998"	167.741356666667	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2H+Na"	25.00377
"1258768"	511.253786	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+CH3OH+H"	33.033486
"379530"	995.403758	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+K"	38.963158
"752933"	1473.624058	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+K"	38.963158
"1555350"	517.183458	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+K"	38.963158
"313984"	498.205517	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+H+K"	39.970434
"704215"	737.315667	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+H+K"	39.970434
"1459500"	259.095367	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H+K"	39.970434
"247737"	998.474426	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+ACN+H"	42.033826
"1221538"	520.254126	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+ACN+H"	42.033826
"1203235"	260.630701	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+ACN+2H"	43.041102
"195010"	1001.41176	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+2Na-H"	44.97116
"635663"	1479.63206	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+2Na-H"	44.97116
"1133336"	523.19146	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2Na-H"	44.97116
"181367"	501.209518	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+2Na"	45.978436
"615460"	740.319668	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+2Na"	45.978436
"1122245"	262.099368	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2Na"	45.978436
"1400058"	175.068670666667	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H+2Na"	46.985712
"1431079"	525.233046	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H+HCOOH"	47.012746
"223567"	506.24254	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+3H2O+2H"	56.04448
"1513451"	539.28509	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+IsoProp+H"	61.06479
"410588"	509.196488	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+Na+K"	61.952376
"783625"	748.306638	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+Na+K"	61.952376
"1681101"	270.086338	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Na+K"	61.952376
"264907"	1020.456368	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+ACN+Na"	64.015768
"1239192"	542.236068	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+ACN+Na"	64.015768
"1724072"	542.259593	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+NH4+HCOOH"	64.039293
"1191247"	182.395984666667	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+3Na"	68.967654
"1662594"	547.214988	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Na+HCOOH"	68.994688
"171644"	1033.35964	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+2K-H"	76.91904
"610109"	1511.57994	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+2K-H"	76.91904
"1095715"	555.13934	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2K-H"	76.91904
"151438"	517.183458	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"2M+2K"	77.926316
"592092"	756.293608	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"3M+2K"	77.926316
"1080981"	278.073308	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2K"	77.926316
"1110911"	557.153892	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2K+H"	78.933592
"1346200"	557.241507	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+DMSO+H"	79.021207
"1012541"	561.280676	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2ACN+H"	83.060376
"1528478"	562.274308	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+IsoProp+Na+H"	84.054008
"994930"	281.143976	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+2ACN+2H"	84.067652
"1588334"	563.188928	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+K+HCOOH"	84.968628
"1414726"	593.220438	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+H+CF3COOH"	115.000138
"1147690"	301.657251	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+3ACN+2H"	125.094202
"1698211"	610.246985	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+NH4+CF3COOH"	132.026685
"1634350"	615.20238	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+Na+CF3COOH"	136.98208
"1581546"	631.17632	"C08783"	"Simalikilactone D"	"C25H34O9"	"478.2203"	"M+K+CF3COOH"	152.95602
"816902"	494.2152	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M"	0
"987634"	475.19681	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-H2O-H"	-19.01839
"71502"	328.469524	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M-3H"	-3.021828
"512160"	493.207924	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M-3H"	-3.021828
"886683"	163.731124	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-3H"	-3.021828
"10724"	493.207924	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M-2H"	-2.014552
"447009"	740.315524	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M-2H"	-2.014552
"828090"	246.100324	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-2H"	-2.014552
"90633"	987.423124	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M-H"	-1.007276
"530920"	1481.638324	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M-H"	-1.007276
"906534"	493.207924	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-H"	-1.007276
"58721"	1004.449671	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M-2H+NH4"	16.019271
"492815"	1498.664871	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M-2H+NH4"	16.019271
"870616"	510.234471	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-2H+NH4"	16.019271
"40702"	1009.405066	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M-2H+Na"	20.974666
"479169"	1503.620266	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M-2H+Na"	20.974666
"858066"	515.189866	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-2H+Na"	20.974666
"1629792"	515.189866	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Na-2H"	20.974666
"106316"	511.196263	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M-H+Cl"	33.962126
"548438"	758.303863	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M-H+Cl"	33.962126
"942778"	264.088663	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-H+Cl"	33.962126
"282773"	1023.399802	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+Cl"	34.969402
"675611"	1517.615002	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+Cl"	34.969402
"1288254"	529.184602	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Cl"	34.969402
"27889"	1025.379006	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M-2H+K"	36.948606
"468176"	1519.594206	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M-2H+K"	36.948606
"846589"	531.163806	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-2H+K"	36.948606
"1568738"	531.163806	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+K-2H"	36.948606
"952978"	539.213394	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-H+HCOOH"	44.998194
"373384"	1033.428601	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+HCOOH-H"	44.998201
"358360"	1047.444251	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+Hac-H"	59.013851
"1505003"	553.229051	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Hac-H"	59.013851
"971818"	561.195351	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-H+NaCOOH"	66.980151
"123274"	529.184602	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+2Cl"	69.938804
"564174"	776.292202	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+2Cl"	69.938804
"1036742"	282.077002	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2Cl"	69.938804
"1250489"	573.134085	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Br"	78.918885
"1315124"	575.190072	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Cl+HCOOH"	80.974872
"1334084"	597.172029	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Cl+NaCOOH"	102.956829
"918212"	607.200786	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M-H+CF3COOH"	112.985586
"1304039"	643.177464	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Cl+CF3COOH"	148.962264
"1380745"	459.202524	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H-2H2O"	-35.012676
"1396783"	477.2125	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H-H2O"	-17.0027
"297562"	989.437676	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+H"	1.007276
"691074"	1483.652876	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+H"	1.007276
"1363412"	495.222476	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H"	1.007276
"131925"	495.222476	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+2H"	2.014552
"575870"	742.330076	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+2H"	2.014552
"1046857"	248.114876	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2H"	2.014552
"214757"	330.484076	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+3H"	3.021828
"652130"	495.222476	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+3H"	3.021828
"1170255"	165.745676	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+3H"	3.021828
"432432"	1006.464223	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+NH4"	18.033823
"795615"	1500.679423	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+NH4"	18.033823
"1687571"	512.249023	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+NH4"	18.033823
"343504"	503.7357495	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+H+NH4"	19.041099
"730458"	750.8433495	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+H+NH4"	19.041099
"1479904"	256.6281495	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H+NH4"	19.041099
"394085"	1011.419618	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+Na"	22.989218
"754717"	1505.634818	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+Na"	22.989218
"1608771"	517.204418	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Na"	22.989218
"318807"	506.213447	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+H+Na"	23.996494
"711230"	753.321047	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+H+Na"	23.996494
"1465050"	259.105847	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H+Na"	23.996494
"1056475"	173.07299	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2H+Na"	25.00377
"1258879"	527.248686	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+CH3OH+H"	33.033486
"380736"	1027.393558	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+K"	38.963158
"750859"	1521.608758	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+K"	38.963158
"1552550"	533.178358	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+K"	38.963158
"310816"	514.200417	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+H+K"	39.970434
"704331"	761.308017	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+H+K"	39.970434
"1456694"	267.092817	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H+K"	39.970434
"243470"	1030.464226	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+ACN+H"	42.033826
"1218365"	536.249026	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+ACN+H"	42.033826
"1198970"	268.628151	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+ACN+2H"	43.041102
"188922"	1033.40156	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+2Na-H"	44.97116
"629695"	1527.61676	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+2Na-H"	44.97116
"1133083"	539.18636	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2Na-H"	44.97116
"174916"	517.204418	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+2Na"	45.978436
"615570"	764.312018	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+2Na"	45.978436
"1122356"	270.096818	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2Na"	45.978436
"1400777"	180.400304	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H+2Na"	46.985712
"1431798"	541.227946	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H+HCOOH"	47.012746
"222585"	522.23744	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+3H2O+2H"	56.04448
"1509916"	555.27999	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+IsoProp+H"	61.06479
"410335"	525.191388	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+Na+K"	61.952376
"784706"	772.298988	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+Na+K"	61.952376
"1676783"	278.083788	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Na+K"	61.952376
"263680"	1052.446168	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+ACN+Na"	64.015768
"1238940"	558.230968	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+ACN+Na"	64.015768
"1723089"	558.254493	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+NH4+HCOOH"	64.039293
"1188443"	187.727618	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+3Na"	68.967654
"1662705"	563.209888	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Na+HCOOH"	68.994688
"170659"	1065.34944	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+2K-H"	76.91904
"611678"	1559.56464	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+2K-H"	76.91904
"1095826"	571.13424	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2K-H"	76.91904
"154468"	533.178358	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"2M+2K"	77.926316
"592202"	780.285958	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"3M+2K"	77.926316
"1083399"	286.070758	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2K"	77.926316
"1112112"	573.148792	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2K+H"	78.933592
"1344122"	573.236407	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+DMSO+H"	79.021207
"1010465"	577.275576	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2ACN+H"	83.060376
"1528589"	578.269208	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+IsoProp+Na+H"	84.054008
"995039"	289.141426	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+2ACN+2H"	84.067652
"1589542"	579.183828	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+K+HCOOH"	84.968628
"1417391"	609.215338	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+H+CF3COOH"	115.000138
"1147434"	309.654701	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+3ACN+2H"	125.094202
"1700507"	626.241885	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+NH4+CF3COOH"	132.026685
"1636162"	631.19728	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+Na+CF3COOH"	136.98208
"1581656"	647.17122	"C08784"	"Soularubinone"	"C25H34O10"	"494.2152"	"M+K+CF3COOH"	152.95602
"802180"	554.2516	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M"	0
"983369"	535.23321	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-H2O-H"	-19.01839
"69423"	368.493790666667	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M-3H"	-3.021828
"516643"	553.244324	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M-3H"	-3.021828
"888978"	183.743257333333	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-3H"	-3.021828
"14114"	553.244324	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M-2H"	-2.014552
"450398"	830.370124	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M-2H"	-2.014552
"824919"	276.118524	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-2H"	-2.014552
"84910"	1107.495924	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M-H"	-1.007276
"522283"	1661.747524	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M-H"	-1.007276
"908104"	553.244324	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-H"	-1.007276
"61384"	1124.522471	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M-2H+NH4"	16.019271
"501307"	1678.774071	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M-2H+NH4"	16.019271
"875099"	570.270871	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-2H+NH4"	16.019271
"37532"	1129.477866	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M-2H+Na"	20.974666
"483654"	1683.729466	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M-2H+Na"	20.974666
"858176"	575.226266	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-2H+Na"	20.974666
"1630996"	575.226266	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Na-2H"	20.974666
"104239"	571.232663	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M-H+Cl"	33.962126
"549850"	848.358463	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M-H+Cl"	33.962126
"942561"	294.106863	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-H+Cl"	33.962126
"282804"	1143.472602	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+Cl"	34.969402
"675592"	1697.724202	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+Cl"	34.969402
"1287999"	589.221002	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Cl"	34.969402
"30189"	1145.451806	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M-2H+K"	36.948606
"469748"	1699.703406	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M-2H+K"	36.948606
"846822"	591.200206	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-2H+K"	36.948606
"1570918"	591.200206	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+K-2H"	36.948606
"953088"	599.249794	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-H+HCOOH"	44.998194
"374222"	1153.501401	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+HCOOH-H"	44.998201
"360780"	1167.517051	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+Hac-H"	59.013851
"1505845"	613.265451	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Hac-H"	59.013851
"974105"	621.231751	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-H+NaCOOH"	66.980151
"124116"	589.221002	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+2Cl"	69.938804
"563677"	866.346802	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+2Cl"	69.938804
"1035760"	312.095202	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2Cl"	69.938804
"1253515"	633.170485	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Br"	78.918885
"1310859"	635.226472	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Cl+HCOOH"	80.974872
"1327262"	657.208429	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Cl+NaCOOH"	102.956829
"922330"	667.237186	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M-H+CF3COOH"	112.985586
"1303056"	703.213864	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Cl+CF3COOH"	148.962264
"1379762"	519.238924	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H-2H2O"	-35.012676
"1396164"	537.2489	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H-H2O"	-17.0027
"296945"	1109.510476	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+H"	1.007276
"688269"	1663.762076	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+H"	1.007276
"1365711"	555.258876	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H"	1.007276
"135317"	555.258876	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+2H"	2.014552
"575980"	832.384676	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+2H"	2.014552
"1048060"	278.133076	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2H"	2.014552
"214867"	370.508342666667	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+3H"	3.021828
"652240"	555.258876	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+3H"	3.021828
"1176564"	185.757809333333	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+3H"	3.021828
"438011"	1126.537023	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+NH4"	18.033823
"793538"	1680.788623	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+NH4"	18.033823
"1694245"	572.285423	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+NH4"	18.033823
"342522"	563.7721495	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+H+NH4"	19.041099
"730569"	840.8979495	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+H+NH4"	19.041099
"1480014"	286.6463495	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H+NH4"	19.041099
"400883"	1131.492418	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+Na"	22.989218
"757503"	1685.744018	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+Na"	22.989218
"1613259"	577.240818	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Na"	22.989218
"321108"	566.249847	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+H+Na"	23.996494
"710612"	843.375647	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+H+Na"	23.996494
"1464067"	289.124047	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H+Na"	23.996494
"1057311"	193.085123333333	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2H+Na"	25.00377
"1263731"	587.285086	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+CH3OH+H"	33.033486
"379752"	1147.466358	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+K"	38.963158
"741479"	1701.717958	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+K"	38.963158
"1543168"	593.214758	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+K"	38.963158
"309834"	574.236817	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+H+K"	39.970434
"702983"	851.362617	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+H+K"	39.970434
"1455712"	297.111017	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H+K"	39.970434
"247955"	1150.537026	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+ACN+H"	42.033826
"1219570"	596.285426	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+ACN+H"	42.033826
"1201268"	298.646351	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+ACN+2H"	43.041102
"199604"	1153.47436	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+2Na-H"	44.97116
"632602"	1707.72596	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+2Na-H"	44.97116
"1135380"	599.22276	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2Na-H"	44.97116
"181588"	577.240818	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+2Na"	45.978436
"618231"	854.366618	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+2Na"	45.978436
"1125017"	300.115018	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2Na"	45.978436
"1409270"	200.412437333333	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H+2Na"	46.985712
"1437012"	601.264346	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H+HCOOH"	47.012746
"222696"	582.27384	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+3H2O+2H"	56.04448
"1509664"	615.31639	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+IsoProp+H"	61.06479
"408744"	585.227788	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+Na+K"	61.952376
"785263"	862.353588	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+Na+K"	61.952376
"1678714"	308.101988	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Na+K"	61.952376
"266702"	1172.518968	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+ACN+Na"	64.015768
"1237229"	618.267368	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+ACN+Na"	64.015768
"1726113"	618.290893	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+NH4+HCOOH"	64.039293
"1190739"	207.739751333333	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+3Na"	68.967654
"1664274"	623.246288	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Na+HCOOH"	68.994688
"171137"	1185.42224	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+2K-H"	76.91904
"611302"	1739.67384	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+2K-H"	76.91904
"1097028"	631.17064	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2K-H"	76.91904
"152752"	593.214758	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"2M+2K"	77.926316
"592312"	870.340558	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"3M+2K"	77.926316
"1083872"	316.088958	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2K"	77.926316
"1110036"	633.185192	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2K+H"	78.933592
"1343136"	633.272807	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+DMSO+H"	79.021207
"1013854"	637.311976	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2ACN+H"	83.060376
"1534167"	638.305608	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+IsoProp+Na+H"	84.054008
"995148"	319.159626	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+2ACN+2H"	84.067652
"1591838"	639.220228	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+K+HCOOH"	84.968628
"1418592"	669.251738	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+H+CF3COOH"	115.000138
"1148882"	339.672901	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+3ACN+2H"	125.094202
"1697579"	686.278285	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+NH4+CF3COOH"	132.026685
"1637365"	691.23368	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+Na+CF3COOH"	136.98208
"1581766"	707.20762	"C08785"	"Toonacilin"	"C31H38O9"	"554.2516"	"M+K+CF3COOH"	152.95602
"802290"	674.2938	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M"	0
"976188"	655.27541	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-H2O-H"	-19.01839
"67346"	448.521924	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M-3H"	-3.021828
"510191"	673.286524	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M-3H"	-3.021828
"890182"	223.757324	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-3H"	-3.021828
"8758"	673.286524	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M-2H"	-2.014552
"448321"	1010.433424	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M-2H"	-2.014552
"825029"	336.139624	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-2H"	-2.014552
"85020"	1347.580324	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M-H"	-1.007276
"527860"	2021.874124	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M-H"	-1.007276
"906756"	673.286524	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-H"	-1.007276
"59673"	1364.606871	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M-2H+NH4"	16.019271
"497044"	2038.900671	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M-2H+NH4"	16.019271
"873022"	690.313071	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-2H+NH4"	16.019271
"37642"	1369.562266	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M-2H+Na"	20.974666
"481577"	2043.856066	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M-2H+Na"	20.974666
"856100"	695.268466	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-2H+Na"	20.974666
"1631471"	695.268466	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Na-2H"	20.974666
"103256"	691.274863	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M-H+Cl"	33.962126
"549150"	1028.421763	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M-H+Cl"	33.962126
"941088"	354.127963	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-H+Cl"	33.962126
"282157"	1383.557002	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+Cl"	34.969402
"674497"	2057.850802	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+Cl"	34.969402
"1288118"	709.263202	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Cl"	34.969402
"30835"	1385.536206	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M-2H+K"	36.948606
"471201"	2059.830006	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M-2H+K"	36.948606
"847910"	711.242406	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-2H+K"	36.948606
"1570664"	711.242406	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+K-2H"	36.948606
"953565"	719.291994	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-H+HCOOH"	44.998194
"375427"	1393.585801	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+HCOOH-H"	44.998201
"359675"	1407.601451	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+Hac-H"	59.013851
"1504495"	733.307651	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Hac-H"	59.013851
"973499"	741.273951	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-H+NaCOOH"	66.980151
"121310"	709.263202	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+2Cl"	69.938804
"564884"	1046.410102	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+2Cl"	69.938804
"1035871"	372.116302	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2Cl"	69.938804
"1253626"	753.212685	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Br"	78.918885
"1316803"	755.268672	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Cl+HCOOH"	80.974872
"1327373"	777.250629	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Cl+NaCOOH"	102.956829
"920253"	787.279386	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M-H+CF3COOH"	112.985586
"1303167"	823.256064	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Cl+CF3COOH"	148.962264
"1382059"	639.281124	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H-2H2O"	-35.012676
"1395180"	657.2911	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H-H2O"	-17.0027
"297056"	1349.594876	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+H"	1.007276
"690688"	2023.888676	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+H"	1.007276
"1365095"	675.301076	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H"	1.007276
"138707"	675.301076	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+2H"	2.014552
"579362"	1012.447976	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+2H"	2.014552
"1045983"	338.154176	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2H"	2.014552
"211698"	450.536476	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+3H"	3.021828
"652350"	675.301076	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+3H"	3.021828
"1173757"	225.771876	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+3H"	3.021828
"437028"	1366.621423	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+NH4"	18.033823
"792556"	2040.915223	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+NH4"	18.033823
"1688886"	692.327623	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+NH4"	18.033823
"340445"	683.8143495	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+H+NH4"	19.041099
"728491"	1020.9612495	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+H+NH4"	19.041099
"1477449"	346.6674495	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H+NH4"	19.041099
"395522"	1371.576818	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+Na"	22.989218
"758706"	2045.870618	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+Na"	22.989218
"1612274"	697.283018	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Na"	22.989218
"321217"	686.292047	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+H+Na"	23.996494
"712544"	1023.438947	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+H+Na"	23.996494
"1463446"	349.145147	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H+Na"	23.996494
"1058514"	233.09919	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2H+Na"	25.00377
"1257762"	707.327286	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+CH3OH+H"	33.033486
"379496"	1387.550758	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+K"	38.963158
"740496"	2061.844558	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+K"	38.963158
"1542914"	713.256958	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+K"	38.963158
"308850"	694.279017	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+H+K"	39.970434
"704549"	1031.425917	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+H+K"	39.970434
"1455822"	357.132117	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H+K"	39.970434
"246971"	1390.621426	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+ACN+H"	42.033826
"1216400"	716.327626	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+ACN+H"	42.033826
"1198825"	358.667451	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+ACN+2H"	43.041102
"196434"	1393.55876	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+2Na-H"	44.97116
"633076"	2067.85256	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+2Na-H"	44.97116
"1134397"	719.26496	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2Na-H"	44.97116
"177688"	697.283018	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+2Na"	45.978436
"620164"	1034.429918	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+2Na"	45.978436
"1124763"	360.136118	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2Na"	45.978436
"1409380"	240.426504	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H+2Na"	46.985712
"1440767"	721.306546	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H+HCOOH"	47.012746
"224629"	702.31604	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+3H2O+2H"	56.04448
"1510867"	735.35859	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+IsoProp+H"	61.06479
"411649"	705.269988	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+Na+K"	61.952376
"784316"	1042.416888	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+Na+K"	61.952376
"1674085"	368.123088	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Na+K"	61.952376
"262806"	1412.603368	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+ACN+Na"	64.015768
"1238067"	738.309568	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+ACN+Na"	64.015768
"1722216"	738.333093	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+NH4+HCOOH"	64.039293
"1190120"	247.753818	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+3Na"	68.967654
"1662562"	743.288488	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Na+HCOOH"	68.994688
"169423"	1425.50664	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+2K-H"	76.91904
"609345"	2099.80044	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+2K-H"	76.91904
"1097016"	751.21284	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2K-H"	76.91904
"153592"	713.256958	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"2M+2K"	77.926316
"591328"	1050.403858	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"3M+2K"	77.926316
"1079119"	376.110058	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2K"	77.926316
"1106863"	753.227392	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2K+H"	78.933592
"1341059"	753.315007	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+DMSO+H"	79.021207
"1011776"	757.354176	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2ACN+H"	83.060376
"1534277"	758.347808	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+IsoProp+Na+H"	84.054008
"993071"	379.180726	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+2ACN+2H"	84.067652
"1590855"	759.262428	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+K+HCOOH"	84.968628
"1418702"	789.293938	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+H+CF3COOH"	115.000138
"1151179"	399.694001	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+3ACN+2H"	125.094202
"1697281"	806.320485	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+NH4+CF3COOH"	132.026685
"1636382"	811.27588	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+Na+CF3COOH"	136.98208
"1581876"	827.24982	"C08786"	"Trichilin A"	"C35H46O13"	"674.2938"	"M+K+CF3COOH"	152.95602
"811148"	534.2101	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M"	0
"979214"	515.19171	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-H2O-H"	-19.01839
"69642"	355.132790666667	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M-3H"	-3.021828
"517840"	533.202824	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M-3H"	-3.021828
"890293"	177.062757333333	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-3H"	-3.021828
"12149"	533.202824	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M-2H"	-2.014552
"449524"	800.307874	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M-2H"	-2.014552
"826232"	266.097774	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-2H"	-2.014552
"88410"	1067.412924	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M-H"	-1.007276
"525783"	1601.623024	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M-H"	-1.007276
"906863"	533.202824	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-H"	-1.007276
"56864"	1084.439471	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M-2H+NH4"	16.019271
"494237"	1618.649571	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M-2H+NH4"	16.019271
"869850"	550.229371	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-2H+NH4"	16.019271
"34472"	1089.394866	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M-2H+Na"	20.974666
"478406"	1623.604966	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M-2H+Na"	20.974666
"851836"	555.184766	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-2H+Na"	20.974666
"1630123"	555.184766	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Na-2H"	20.974666
"104460"	551.191163	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M-H+Cl"	33.962126
"549309"	818.296213	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M-H+Cl"	33.962126
"942174"	284.086113	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-H+Cl"	33.962126
"282312"	1103.389602	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+Cl"	34.969402
"674975"	1637.599702	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+Cl"	34.969402
"1287988"	569.179502	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Cl"	34.969402
"31298"	1105.368806	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M-2H+K"	36.948606
"470826"	1639.578906	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M-2H+K"	36.948606
"847536"	571.158706	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-2H+K"	36.948606
"1569798"	571.158706	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+K-2H"	36.948606
"956230"	579.208294	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-H+HCOOH"	44.998194
"375298"	1113.418401	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+HCOOH-H"	44.998201
"360275"	1127.434051	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+Hac-H"	59.013851
"1506067"	593.223951	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Hac-H"	59.013851
"973978"	601.190251	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-H+NaCOOH"	66.980151
"122148"	569.179502	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+2Cl"	69.938804
"565241"	836.284552	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+2Cl"	69.938804
"1035983"	302.074452	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2Cl"	69.938804
"1256657"	613.128985	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Br"	78.918885
"1318495"	615.184972	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Cl+HCOOH"	80.974872
"1330763"	637.166929	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Cl+NaCOOH"	102.956829
"921456"	647.195686	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M-H+CF3COOH"	112.985586
"1304053"	683.172364	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Cl+CF3COOH"	148.962264
"1382576"	499.197424	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H-2H2O"	-35.012676
"1397357"	517.2074	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H-H2O"	-17.0027
"297896"	1069.427476	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+H"	1.007276
"690312"	1603.637576	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+H"	1.007276
"1366948"	535.217376	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H"	1.007276
"140967"	535.217376	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+2H"	2.014552
"579472"	802.322426	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+2H"	2.014552
"1051561"	268.112326	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2H"	2.014552
"218369"	357.147342666667	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+3H"	3.021828
"658899"	535.217376	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+3H"	3.021828
"1178163"	179.077309333333	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+3H"	3.021828
"438231"	1086.454023	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+NH4"	18.033823
"790479"	1620.664123	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+NH4"	18.033823
"1688996"	552.243923	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+NH4"	18.033823
"337275"	543.7306495	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+H+NH4"	19.041099
"729695"	810.8356995	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+H+NH4"	19.041099
"1480234"	276.6255995	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H+NH4"	19.041099
"397819"	1091.409418	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+Na"	22.989218
"756627"	1625.619518	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+Na"	22.989218
"1610194"	557.199318	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Na"	22.989218
"319137"	546.208347	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+H+Na"	23.996494
"713746"	813.313397	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+H+Na"	23.996494
"1463556"	279.103297	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H+Na"	23.996494
"1055344"	186.404623333333	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2H+Na"	25.00377
"1257264"	567.243586	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+CH3OH+H"	33.033486
"378383"	1107.383358	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+K"	38.963158
"742064"	1641.593458	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+K"	38.963158
"1543024"	573.173258	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+K"	38.963158
"311512"	554.195317	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+H+K"	39.970434
"705754"	821.300367	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+H+K"	39.970434
"1459574"	287.090267	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H+K"	39.970434
"247082"	1110.454026	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+ACN+H"	42.033826
"1219792"	576.243926	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+ACN+H"	42.033826
"1205134"	288.625601	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+ACN+2H"	43.041102
"197638"	1113.39136	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+2Na-H"	44.97116
"636102"	1647.60146	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+2Na-H"	44.97116
"1136693"	579.18126	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2Na-H"	44.97116
"184361"	557.199318	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+2Na"	45.978436
"622461"	824.304368	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+2Na"	45.978436
"1127426"	290.094268	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2Na"	45.978436
"1409126"	193.731937333333	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H+2Na"	46.985712
"1441241"	581.222846	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H+HCOOH"	47.012746
"225833"	562.23234	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+3H2O+2H"	56.04448
"1511707"	595.27489	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+IsoProp+H"	61.06479
"410666"	565.186288	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+Na+K"	61.952376
"777865"	832.291338	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+Na+K"	61.952376
"1673102"	298.081238	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Na+K"	61.952376
"262187"	1132.435968	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+ACN+Na"	64.015768
"1237815"	598.225868	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+ACN+Na"	64.015768
"1724515"	598.249393	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+NH4+HCOOH"	64.039293
"1189140"	201.059251333333	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+3Na"	68.967654
"1657939"	603.204788	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Na+HCOOH"	68.994688
"168079"	1145.33924	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+2K-H"	76.91904
"609458"	1679.54934	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+2K-H"	76.91904
"1096884"	611.12914	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2K-H"	76.91904
"153341"	573.173258	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"2M+2K"	77.926316
"593990"	840.278308	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"3M+2K"	77.926316
"1079229"	306.068208	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2K"	77.926316
"1106973"	613.143692	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2K+H"	78.933592
"1341170"	613.231307	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+DMSO+H"	79.021207
"1009700"	617.270476	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2ACN+H"	83.060376
"1534387"	618.264108	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+IsoProp+Na+H"	84.054008
"992088"	309.138876	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+2ACN+2H"	84.067652
"1588778"	619.178728	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+K+HCOOH"	84.968628
"1417719"	649.210238	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+H+CF3COOH"	115.000138
"1151289"	329.652151	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+3ACN+2H"	125.094202
"1699014"	666.236785	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+NH4+CF3COOH"	132.026685
"1636492"	671.19218	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+Na+CF3COOH"	136.98208
"1581986"	687.16612	"C08787"	"Undulatone"	"C27H34O11"	"534.2101"	"M+K+CF3COOH"	152.95602
"811258"	470.1941	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M"	0
"984792"	451.17571	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-H2O-H"	-19.01839
"69752"	312.455457333333	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M-3H"	-3.021828
"510410"	469.186824	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M-3H"	-3.021828
"886030"	155.724090666667	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-3H"	-3.021828
"13353"	469.186824	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M-2H"	-2.014552
"449634"	704.283874	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M-2H"	-2.014552
"825248"	234.089774	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-2H"	-2.014552
"88520"	939.380924	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M-H"	-1.007276
"528080"	1409.575024	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M-H"	-1.007276
"906973"	469.186824	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-H"	-1.007276
"54787"	956.407471	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M-2H+NH4"	16.019271
"493254"	1426.601571	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M-2H+NH4"	16.019271
"865708"	486.213371	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-2H+NH4"	16.019271
"35675"	961.362866	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M-2H+Na"	20.974666
"477423"	1431.556966	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M-2H+Na"	20.974666
"851946"	491.168766	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-2H+Na"	20.974666
"1632054"	491.168766	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Na-2H"	20.974666
"104569"	487.175163	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M-H+Cl"	33.962126
"549011"	722.272213	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M-H+Cl"	33.962126
"942162"	252.078113	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-H+Cl"	33.962126
"282177"	975.357602	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+Cl"	34.969402
"675087"	1445.551702	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+Cl"	34.969402
"1287246"	505.163502	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Cl"	34.969402
"30048"	977.336806	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M-2H+K"	36.948606
"471017"	1447.530906	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M-2H+K"	36.948606
"847760"	507.142706	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-2H+K"	36.948606
"1570880"	507.142706	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+K-2H"	36.948606
"956700"	515.192294	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-H+HCOOH"	44.998194
"374918"	985.386401	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+HCOOH-H"	44.998201
"358801"	999.402051	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+Hac-H"	59.013851
"1505812"	529.207951	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Hac-H"	59.013851
"973925"	537.174251	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-H+NaCOOH"	66.980151
"122258"	505.163502	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+2Cl"	69.938804
"564861"	740.260552	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+2Cl"	69.938804
"1036904"	270.066452	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2Cl"	69.938804
"1256603"	549.112985	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Br"	78.918885
"1318361"	551.168972	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Cl+HCOOH"	80.974872
"1327592"	573.150929	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Cl+NaCOOH"	102.956829
"917556"	583.179686	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M-H+CF3COOH"	112.985586
"1303802"	619.156364	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Cl+CF3COOH"	148.962264
"1382164"	435.181424	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H-2H2O"	-35.012676
"1397839"	453.1914	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H-H2O"	-17.0027
"298248"	941.395476	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+H"	1.007276
"688599"	1411.589576	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+H"	1.007276
"1366771"	471.201376	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H"	1.007276
"140021"	471.201376	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+2H"	2.014552
"576303"	706.298426	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+2H"	2.014552
"1050579"	236.104326	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2H"	2.014552
"217385"	314.470009333333	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+3H"	3.021828
"656944"	471.201376	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+3H"	3.021828
"1174708"	157.738642666667	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+3H"	3.021828
"436155"	958.422023	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+NH4"	18.033823
"790589"	1428.616123	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+NH4"	18.033823
"1689106"	488.227923	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+NH4"	18.033823
"337385"	479.7146495	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+H+NH4"	19.041099
"730898"	714.8116995	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+H+NH4"	19.041099
"1480708"	244.6175995	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H+NH4"	19.041099
"397929"	963.377418	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+Na"	22.989218
"756008"	1433.571518	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+Na"	22.989218
"1609211"	493.183318	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Na"	22.989218
"319247"	482.192347	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+H+Na"	23.996494
"711669"	717.289397	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+H+Na"	23.996494
"1464394"	247.095297	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H+Na"	23.996494
"1055454"	165.065956666667	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2H+Na"	25.00377
"1258224"	503.227586	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+CH3OH+H"	33.033486
"378250"	979.351358	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+K"	38.963158
"741076"	1449.545458	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+K"	38.963158
"1542041"	509.157258	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+K"	38.963158
"309064"	490.179317	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+H+K"	39.970434
"705863"	725.276367	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+H+K"	39.970434
"1458589"	255.082267	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H+K"	39.970434
"242815"	982.422026	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+ACN+H"	42.033826
"1219902"	512.227926	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+ACN+H"	42.033826
"1204879"	256.617601	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+ACN+2H"	43.041102
"196655"	985.35936	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+2Na-H"	44.97116
"633296"	1455.55346	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+2Na-H"	44.97116
"1136803"	515.16526	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2Na-H"	44.97116
"185199"	493.183318	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+2Na"	45.978436
"623299"	728.280368	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+2Na"	45.978436
"1128993"	258.086268	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2Na"	45.978436
"1409600"	172.393270666667	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H+2Na"	46.985712
"1441351"	517.206846	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H+HCOOH"	47.012746
"225943"	498.21634	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+3H2O+2H"	56.04448
"1511088"	531.25889	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+IsoProp+H"	61.06479
"410776"	501.170288	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+Na+K"	61.952376
"774695"	736.267338	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+Na+K"	61.952376
"1673211"	266.073238	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Na+K"	61.952376
"264489"	1004.403968	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+ACN+Na"	64.015768
"1237927"	534.209868	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+ACN+Na"	64.015768
"1722802"	534.233393	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+NH4+HCOOH"	64.039293
"1190344"	179.720584666667	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+3Na"	68.967654
"1659871"	539.188788	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Na+HCOOH"	68.994688
"170012"	1017.30724	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+2K-H"	76.91904
"609568"	1487.50134	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+2K-H"	76.91904
"1098086"	547.11314	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2K-H"	76.91904
"153453"	509.157258	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"2M+2K"	77.926316
"591548"	744.254308	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"3M+2K"	77.926316
"1078246"	274.060208	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2K"	77.926316
"1107083"	549.127692	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2K+H"	78.933592
"1342373"	549.215307	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+DMSO+H"	79.021207
"1009810"	553.254476	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2ACN+H"	83.060376
"1534497"	554.248108	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+IsoProp+Na+H"	84.054008
"994384"	277.130876	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+2ACN+2H"	84.067652
"1589981"	555.162728	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+K+HCOOH"	84.968628
"1416736"	585.194238	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+H+CF3COOH"	115.000138
"1151399"	297.644151	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+3ACN+2H"	125.094202
"1697303"	602.220785	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+NH4+CF3COOH"	132.026685
"1636602"	607.17618	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+Na+CF3COOH"	136.98208
"1582096"	623.15012	"C08788"	"Zapoterin"	"C26H30O8"	"470.1941"	"M+K+CF3COOH"	152.95602
"802620"	474.3709	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M"	0
"976518"	455.35251	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-H2O-H"	-19.01839
"68769"	315.239990666667	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M-3H"	-3.021828
"513801"	473.363624	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M-3H"	-3.021828
"890514"	157.116357333333	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-3H"	-3.021828
"13463"	473.363624	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M-2H"	-2.014552
"448650"	710.549074	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M-2H"	-2.014552
"826451"	236.178174	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-2H"	-2.014552
"88630"	947.734524	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M-H"	-1.007276
"527096"	1422.105424	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M-H"	-1.007276
"899430"	473.363624	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-H"	-1.007276
"52710"	964.761071	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M-2H+NH4"	16.019271
"490084"	1439.131971	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M-2H+NH4"	16.019271
"865697"	490.390171	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-2H+NH4"	16.019271
"33597"	969.716466	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M-2H+Na"	20.974666
"478626"	1444.087366	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M-2H+Na"	20.974666
"849260"	495.345566	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-2H+Na"	20.974666
"1630339"	495.345566	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Na-2H"	20.974666
"103586"	491.351963	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M-H+Cl"	33.962126
"549811"	728.537413	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M-H+Cl"	33.962126
"942679"	254.166513	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-H+Cl"	33.962126
"282033"	983.711202	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+Cl"	34.969402
"675388"	1458.082102	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+Cl"	34.969402
"1288034"	509.340302	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Cl"	34.969402
"30263"	985.690406	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M-2H+K"	36.948606
"469819"	1460.061306	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M-2H+K"	36.948606
"848114"	511.319506	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-2H+K"	36.948606
"1569652"	511.319506	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+K-2H"	36.948606
"954621"	519.369094	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-H+HCOOH"	44.998194
"373569"	993.740001	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+HCOOH-H"	44.998201
"357451"	1007.755651	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+Hac-H"	59.013851
"1502273"	533.384751	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Hac-H"	59.013851
"969451"	541.351051	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-H+NaCOOH"	66.980151
"121640"	509.340302	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+2Cl"	69.938804
"561931"	746.525752	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+2Cl"	69.938804
"1032917"	272.154852	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2Cl"	69.938804
"1253953"	553.289785	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Br"	78.918885
"1317133"	555.345772	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Cl+HCOOH"	80.974872
"1323328"	577.327729	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Cl+NaCOOH"	102.956829
"913289"	587.356486	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M-H+CF3COOH"	112.985586
"1303497"	623.333164	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Cl+CF3COOH"	148.962264
"1382023"	439.358224	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H-2H2O"	-35.012676
"1397089"	457.3682	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H-H2O"	-17.0027
"294101"	949.749076	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+H"	1.007276
"685428"	1424.119976	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+H"	1.007276
"1365058"	475.378176	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H"	1.007276
"137946"	475.378176	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+2H"	2.014552
"575319"	712.563626	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+2H"	2.014552
"1049594"	238.192726	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2H"	2.014552
"209840"	317.254542666667	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+3H"	3.021828
"654867"	475.378176	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+3H"	3.021828
"1171900"	159.130909333333	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+3H"	3.021828
"431891"	966.775623	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+NH4"	18.033823
"787416"	1441.146523	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+NH4"	18.033823
"1683382"	492.404723	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+NH4"	18.033823
"332026"	483.8914495	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+H+NH4"	19.041099
"722805"	721.0768995	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+H+NH4"	19.041099
"1478631"	246.7059995	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H+NH4"	19.041099
"395853"	971.731018	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+Na"	22.989218
"754237"	1446.101918	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+Na"	22.989218
"1603488"	497.360118	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Na"	22.989218
"314261"	486.369147	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+H+Na"	23.996494
"707310"	723.554597	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+H+Na"	23.996494
"1461368"	249.183697	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H+Na"	23.996494
"1053250"	166.458223333333	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2H+Na"	25.00377
"1257049"	507.404386	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+CH3OH+H"	33.033486
"377144"	987.704958	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+K"	38.963158
"738658"	1462.075858	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+K"	38.963158
"1542150"	513.334058	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+K"	38.963158
"308079"	494.356117	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+H+K"	39.970434
"700505"	731.541567	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+H+K"	39.970434
"1458699"	257.170667	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H+K"	39.970434
"245111"	990.775626	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+ACN+H"	42.033826
"1217093"	516.404726	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+ACN+H"	42.033826
"1206080"	258.706001	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+ACN+2H"	43.041102
"198951"	993.71296	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+2Na-H"	44.97116
"633406"	1468.08386	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+2Na-H"	44.97116
"1135820"	519.34206	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2Na-H"	44.97116
"180203"	497.360118	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+2Na"	45.978436
"619763"	734.545568	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+2Na"	45.978436
"1128010"	260.174668	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2Na"	45.978436
"1408617"	173.785537333333	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H+2Na"	46.985712
"1435628"	521.383646	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H+HCOOH"	47.012746
"223137"	502.39314	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+3H2O+2H"	56.04448
"1511198"	535.43569	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+IsoProp+H"	61.06479
"413073"	505.347088	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+Na+K"	61.952376
"775898"	742.532538	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+Na+K"	61.952376
"1674413"	268.161638	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Na+K"	61.952376
"265693"	1012.757568	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+ACN+Na"	64.015768
"1239736"	538.386668	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+ACN+Na"	64.015768
"1726557"	538.410193	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+NH4+HCOOH"	64.039293
"1192276"	181.112851333333	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+3Na"	68.967654
"1662898"	543.365588	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Na+HCOOH"	68.994688
"171578"	1025.66084	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+2K-H"	76.91904
"610042"	1500.03174	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+2K-H"	76.91904
"1096373"	551.28994	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2K-H"	76.91904
"155627"	513.334058	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"2M+2K"	77.926316
"591658"	750.519508	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"3M+2K"	77.926316
"1077262"	276.148608	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2K"	77.926316
"1106098"	553.304492	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2K+H"	78.933592
"1342483"	553.392107	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+DMSO+H"	79.021207
"1013200"	557.431276	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2ACN+H"	83.060376
"1531327"	558.424908	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+IsoProp+Na+H"	84.054008
"994494"	279.219276	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+2ACN+2H"	84.067652
"1588631"	559.339528	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+K+HCOOH"	84.968628
"1416116"	589.371038	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+H+CF3COOH"	115.000138
"1151509"	299.732551	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+3ACN+2H"	125.094202
"1698873"	606.397585	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+NH4+CF3COOH"	132.026685
"1638899"	611.35298	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+Na+CF3COOH"	136.98208
"1582206"	627.32692	"C08789"	"Bryodulcosigenin"	"C30H50O4"	"474.3709"	"M+K+CF3COOH"	152.95602
"803823"	780.466	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M"	0
"976264"	761.44761	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-H2O-H"	-19.01839
"68879"	519.303390666667	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M-3H"	-3.021828
"512818"	779.458724	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M-3H"	-3.021828
"891718"	259.148057333333	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-3H"	-3.021828
"11385"	779.458724	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M-2H"	-2.014552
"447667"	1169.691724	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M-2H"	-2.014552
"820001"	389.225724	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-2H"	-2.014552
"85460"	1559.924724	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M-H"	-1.007276
"527208"	2340.390724	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M-H"	-1.007276
"899541"	779.458724	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-H"	-1.007276
"47838"	1576.951271	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M-2H+NH4"	16.019271
"489101"	2357.417271	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M-2H+NH4"	16.019271
"867997"	796.485271	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-2H+NH4"	16.019271
"34804"	1581.906666	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M-2H+Na"	20.974666
"471768"	2362.372666	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M-2H+Na"	20.974666
"848574"	801.440666	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-2H+Na"	20.974666
"1622794"	801.440666	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Na-2H"	20.974666
"108440"	797.447063	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M-H+Cl"	33.962126
"548731"	1187.680063	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M-H+Cl"	33.962126
"942619"	407.214063	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-H+Cl"	33.962126
"282263"	1595.901402	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+Cl"	34.969402
"675298"	2376.367402	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+Cl"	34.969402
"1288183"	815.435402	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Cl"	34.969402
"30374"	1597.880606	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M-2H+K"	36.948606
"469569"	2378.346606	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M-2H+K"	36.948606
"843361"	817.414606	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-2H+K"	36.948606
"1569037"	817.414606	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+K-2H"	36.948606
"949263"	825.464194	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-H+HCOOH"	44.998194
"371855"	1605.930201	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+HCOOH-H"	44.998201
"357925"	1619.945851	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+Hac-H"	59.013851
"1505666"	839.479851	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Hac-H"	59.013851
"968833"	847.446151	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-H+NaCOOH"	66.980151
"121020"	815.435402	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+2Cl"	69.938804
"560583"	1205.668402	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+2Cl"	69.938804
"1031570"	425.202402	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2Cl"	69.938804
"1254428"	859.384885	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Br"	78.918885
"1315784"	861.440872	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Cl+HCOOH"	80.974872
"1325626"	883.422829	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Cl+NaCOOH"	102.956829
"916682"	893.451586	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M-H+CF3COOH"	112.985586
"1301046"	929.428264	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Cl+CF3COOH"	148.962264
"1374833"	745.453324	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H-2H2O"	-35.012676
"1391236"	763.4633	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H-H2O"	-17.0027
"293476"	1561.939276	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+H"	1.007276
"687725"	2342.405276	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+H"	1.007276
"1365168"	781.473276	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H"	1.007276
"134776"	781.473276	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+2H"	2.014552
"575429"	1171.706276	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+2H"	2.014552
"1040957"	391.240276	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2H"	2.014552
"212137"	521.317942666667	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+3H"	3.021828
"647688"	781.473276	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+3H"	3.021828
"1163623"	261.162609333333	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+3H"	3.021828
"425072"	1578.965823	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+NH4"	18.033823
"786796"	2359.431823	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+NH4"	18.033823
"1681584"	798.499823	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+NH4"	18.033823
"331407"	789.9865495	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+H+NH4"	19.041099
"724193"	1180.2195495	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+H+NH4"	19.041099
"1480928"	399.7535495	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H+NH4"	19.041099
"395961"	1583.921218	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+Na"	22.989218
"755500"	2364.387218	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+Na"	22.989218
"1606878"	803.455218	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Na"	22.989218
"314601"	792.464247	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+H+Na"	23.996494
"707506"	1182.697247	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+H+Na"	23.996494
"1461729"	402.231247	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H+Na"	23.996494
"1053073"	268.489923333333	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2H+Na"	25.00377
"1257302"	813.499486	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+CH3OH+H"	33.033486
"377980"	1599.895158	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+K"	38.963158
"739177"	2380.361158	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+K"	38.963158
"1540049"	819.429158	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+K"	38.963158
"304909"	800.451217	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+H+K"	39.970434
"702801"	1190.684217	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+H+K"	39.970434
"1458809"	410.218217	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H+K"	39.970434
"244128"	1602.965826	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+ACN+H"	42.033826
"1221217"	822.499826	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+ACN+H"	42.033826
"1204006"	411.753551	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+ACN+2H"	43.041102
"200885"	1605.90316	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+2Na-H"	44.97116
"633518"	2386.36916	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+2Na-H"	44.97116
"1143222"	825.43716	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2Na-H"	44.97116
"184325"	803.455218	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+2Na"	45.978436
"622793"	1193.688218	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+2Na"	45.978436
"1128484"	413.222218	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2Na"	45.978436
"1406542"	275.817237333333	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H+2Na"	46.985712
"1441937"	827.478746	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H+HCOOH"	47.012746
"229445"	808.48824	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+3H2O+2H"	56.04448
"1515320"	841.53079	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+IsoProp+H"	61.06479
"416099"	811.442188	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+Na+K"	61.952376
"777101"	1201.675188	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+Na+K"	61.952376
"1673431"	421.209188	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Na+K"	61.952376
"265799"	1624.947768	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+ACN+Na"	64.015768
"1240573"	844.481768	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+ACN+Na"	64.015768
"1727030"	844.505293	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+NH4+HCOOH"	64.039293
"1192017"	283.144551333333	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+3Na"	68.967654
"1664464"	849.460688	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Na+HCOOH"	68.994688
"170959"	1637.85104	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+2K-H"	76.91904
"611975"	2418.31704	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+2K-H"	76.91904
"1096850"	857.38504	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2K-H"	76.91904
"155738"	819.429158	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"2M+2K"	77.926316
"592862"	1209.662158	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"3M+2K"	77.926316
"1082476"	429.196158	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2K"	77.926316
"1104022"	859.399592	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2K+H"	78.933592
"1342593"	859.487207	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+DMSO+H"	79.021207
"1013309"	863.526376	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2ACN+H"	83.060376
"1529248"	864.520008	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+IsoProp+Na+H"	84.054008
"997884"	432.266826	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+2ACN+2H"	84.067652
"1591295"	865.434628	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+K+HCOOH"	84.968628
"1416954"	895.466138	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+H+CF3COOH"	115.000138
"1152711"	452.780101	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+3ACN+2H"	125.094202
"1703360"	912.492685	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+NH4+CF3COOH"	132.026685
"1639010"	917.44808	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+Na+CF3COOH"	136.98208
"1582316"	933.42202	"C08790"	"Carnosifloside I"	"C42H68O13"	"780.466"	"M+K+CF3COOH"	152.95602
"802840"	942.5188	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M"	0
"976374"	923.50041	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-H2O-H"	-19.01839
"66803"	627.338590666667	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M-3H"	-3.021828
"503446"	941.511524	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M-3H"	-3.021828
"890733"	313.165657333333	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-3H"	-3.021828
"13320"	941.511524	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M-2H"	-2.014552
"447777"	1412.770924	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M-2H"	-2.014552
"826672"	470.252124	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-2H"	-2.014552
"82655"	1884.030324	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M-H"	-1.007276
"525131"	2826.549124	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M-H"	-1.007276
"895712"	941.511524	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-H"	-1.007276
"48192"	1901.056871	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M-2H+NH4"	16.019271
"490668"	2843.575671	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M-2H+NH4"	16.019271
"869200"	958.538071	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-2H+NH4"	16.019271
"36008"	1906.012266	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M-2H+Na"	20.974666
"473380"	2848.531066	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M-2H+Na"	20.974666
"860662"	963.493466	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-2H+Na"	20.974666
"1623997"	963.493466	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Na-2H"	20.974666
"108310"	959.499863	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M-H+Cl"	33.962126
"549295"	1430.759263	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M-H+Cl"	33.962126
"942762"	488.240463	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-H+Cl"	33.962126
"282259"	1920.007002	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+Cl"	34.969402
"675040"	2862.525802	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+Cl"	34.969402
"1287323"	977.488202	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Cl"	34.969402
"30122"	1921.986206	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M-2H+K"	36.948606
"467855"	2864.505006	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M-2H+K"	36.948606
"845659"	979.467406	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-2H+K"	36.948606
"1569875"	979.467406	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+K-2H"	36.948606
"949373"	987.516994	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-H+HCOOH"	44.998194
"373058"	1930.035801	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+HCOOH-H"	44.998201
"355850"	1944.051451	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+Hac-H"	59.013851
"1506143"	1001.532651	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Hac-H"	59.013851
"970402"	1009.498951	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-H+NaCOOH"	66.980151
"122956"	977.488202	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+2Cl"	69.938804
"559965"	1448.747602	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+2Cl"	69.938804
"1032410"	506.228802	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2Cl"	69.938804
"1254177"	1021.437685	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Br"	78.918885
"1314802"	1023.493672	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Cl+HCOOH"	80.974872
"1323549"	1045.475629	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Cl+NaCOOH"	102.956829
"922263"	1055.504386	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M-H+CF3COOH"	112.985586
"1297877"	1091.481064	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Cl+CF3COOH"	148.962264
"1370573"	907.506124	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H-2H2O"	-35.012676
"1396453"	925.5161	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H-H2O"	-17.0027
"287754"	1886.044876	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+H"	1.007276
"686742"	2828.563676	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+H"	1.007276
"1365278"	943.526076	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H"	1.007276
"137073"	943.526076	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+2H"	2.014552
"576268"	1414.785476	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+2H"	2.014552
"1048722"	472.266676	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2H"	2.014552
"216622"	629.353142666667	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+3H"	3.021828
"658365"	943.526076	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+3H"	3.021828
"1176251"	315.180209333333	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+3H"	3.021828
"437577"	1903.071423	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+NH4"	18.033823
"796385"	2845.590223	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+NH4"	18.033823
"1683238"	960.552623	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+NH4"	18.033823
"333705"	952.0393495	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+H+NH4"	19.041099
"726126"	1423.2987495	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+H+NH4"	19.041099
"1482132"	480.7799495	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H+NH4"	19.041099
"396072"	1908.026818	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+Na"	22.989218
"758162"	2850.545618	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+Na"	22.989218
"1608447"	965.508018	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Na"	22.989218
"318118"	954.517047	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+H+Na"	23.996494
"707743"	1425.776447	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+H+Na"	23.996494
"1463383"	483.257647	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H+Na"	23.996494
"1053958"	322.507523333333	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2H+Na"	25.00377
"1258066"	975.552286	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+CH3OH+H"	33.033486
"378587"	1924.000758	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+K"	38.963158
"739940"	2866.519558	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+K"	38.963158
"1540093"	981.481958	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+K"	38.963158
"306113"	962.504017	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+H+K"	39.970434
"701818"	1433.763417	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+H+K"	39.970434
"1454545"	491.244617	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H+K"	39.970434
"242049"	1927.071426	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+ACN+H"	42.033826
"1214757"	984.552626	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+ACN+H"	42.033826
"1195725"	492.779951	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+ACN+2H"	43.041102
"195885"	1930.00876	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+2Na-H"	44.97116
"633258"	2872.52756	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+2Na-H"	44.97116
"1143333"	987.48996	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2Na-H"	44.97116
"184435"	965.508018	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+2Na"	45.978436
"622903"	1436.767418	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+2Na"	45.978436
"1124585"	494.248618	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2Na"	45.978436
"1407746"	329.834837333333	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H+2Na"	46.985712
"1442047"	989.531546	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H+HCOOH"	47.012746
"229554"	970.54104	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+3H2O+2H"	56.04448
"1512513"	1003.58359	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+IsoProp+H"	61.06479
"412929"	973.494988	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+Na+K"	61.952376
"781588"	1444.754388	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+Na+K"	61.952376
"1677915"	502.235588	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Na+K"	61.952376
"264087"	1949.053368	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+ACN+Na"	64.015768
"1238618"	1006.534568	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+ACN+Na"	64.015768
"1726046"	1006.558093	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+NH4+HCOOH"	64.039293
"1191400"	337.162151333333	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+3Na"	68.967654
"1660927"	1011.513488	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Na+HCOOH"	68.994688
"169976"	1961.95664	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+2K-H"	76.91904
"610629"	2904.47544	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+2K-H"	76.91904
"1097691"	1019.43784	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2K-H"	76.91904
"155724"	981.481958	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"2M+2K"	77.926316
"594797"	1452.741358	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"3M+2K"	77.926316
"1077484"	510.222558	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2K"	77.926316
"1109237"	1021.452392	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2K+H"	78.933592
"1344889"	1021.540007	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+DMSO+H"	79.021207
"1016699"	1025.579176	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2ACN+H"	83.060376
"1532638"	1026.572808	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+IsoProp+Na+H"	84.054008
"1000180"	513.293226	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+2ACN+2H"	84.067652
"1595777"	1027.487428	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+K+HCOOH"	84.968628
"1415240"	1057.518938	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+H+CF3COOH"	115.000138
"1150996"	533.806501	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+3ACN+2H"	125.094202
"1703470"	1074.545485	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+NH4+CF3COOH"	132.026685
"1644588"	1079.50088	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+Na+CF3COOH"	136.98208
"1573678"	1095.47482	"C08791"	"Carnosifloside III"	"C48H78O18"	"942.5188"	"M+K+CF3COOH"	152.95602
"804043"	944.5345	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M"	0
"976484"	925.51611	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-H2O-H"	-19.01839
"69099"	628.682390666667	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M-3H"	-3.021828
"503437"	943.527224	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M-3H"	-3.021828
"887563"	313.837557333333	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-3H"	-3.021828
"8326"	943.527224	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M-2H"	-2.014552
"447888"	1415.794474	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M-2H"	-2.014552
"826782"	471.259974	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-2H"	-2.014552
"88962"	1888.061724	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M-H"	-1.007276
"527428"	2832.596224	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M-H"	-1.007276
"897939"	943.527224	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-H"	-1.007276
"48423"	1905.088271	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M-2H+NH4"	16.019271
"490414"	2849.622771	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M-2H+NH4"	16.019271
"869310"	960.553771	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-2H+NH4"	16.019271
"37211"	1910.043666	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M-2H+Na"	20.974666
"472109"	2854.578166	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M-2H+Na"	20.974666
"858949"	965.509166	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-2H+Na"	20.974666
"1624107"	965.509166	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Na-2H"	20.974666
"108660"	961.515563	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M-H+Cl"	33.962126
"548348"	1433.782813	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M-H+Cl"	33.962126
"942314"	489.248313	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-H+Cl"	33.962126
"282491"	1924.038402	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+Cl"	34.969402
"674055"	2868.572902	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+Cl"	34.969402
"1287799"	979.503902	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Cl"	34.969402
"31341"	1926.017606	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M-2H+K"	36.948606
"469058"	2870.552106	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M-2H+K"	36.948606
"847105"	981.483106	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-2H+K"	36.948606
"1569620"	981.483106	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+K-2H"	36.948606
"955318"	989.532694	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-H+HCOOH"	44.998194
"373532"	1934.067201	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+HCOOH-H"	44.998201
"358146"	1948.082851	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+Hac-H"	59.013851
"1505524"	1003.548351	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Hac-H"	59.013851
"969053"	1011.514651	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-H+NaCOOH"	66.980151
"121971"	979.503902	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+2Cl"	69.938804
"560803"	1451.771152	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+2Cl"	69.938804
"1030696"	507.236652	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2Cl"	69.938804
"1253556"	1023.453385	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Br"	78.918885
"1319526"	1025.509372	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Cl+HCOOH"	80.974872
"1330221"	1047.491329	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Cl+NaCOOH"	102.956829
"919093"	1057.520086	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M-H+CF3COOH"	112.985586
"1296893"	1093.496764	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Cl+CF3COOH"	148.962264
"1371776"	909.521824	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H-2H2O"	-35.012676
"1396927"	927.5318	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H-H2O"	-17.0027
"287864"	1890.076276	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+H"	1.007276
"686852"	2834.610776	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+H"	1.007276
"1363200"	945.541776	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H"	1.007276
"137183"	945.541776	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+2H"	2.014552
"574556"	1417.809026	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+2H"	2.014552
"1049925"	473.274526	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2H"	2.014552
"217825"	630.696942666667	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+3H"	3.021828
"658963"	945.541776	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+3H"	3.021828
"1172225"	315.852109333333	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+3H"	3.021828
"437687"	1907.102823	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+NH4"	18.033823
"796495"	2851.637323	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+NH4"	18.033823
"1691733"	962.568323	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+NH4"	18.033823
"334544"	954.0550495	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+H+NH4"	19.041099
"726965"	1426.3222995	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+H+NH4"	19.041099
"1482971"	481.7877995	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H+NH4"	19.041099
"397275"	1912.058218	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+Na"	22.989218
"758636"	2856.592718	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+Na"	22.989218
"1606370"	967.523718	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Na"	22.989218
"317864"	956.532747	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+H+Na"	23.996494
"708703"	1428.799997	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+H+Na"	23.996494
"1463494"	484.265497	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H+Na"	23.996494
"1054434"	323.179423333333	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2H+Na"	25.00377
"1258665"	977.567986	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+CH3OH+H"	33.033486
"378334"	1928.032158	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+K"	38.963158
"740417"	2872.566658	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+K"	38.963158
"1541010"	983.497658	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+K"	38.963158
"308409"	964.519717	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+H+K"	39.970434
"701928"	1436.786967	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+H+K"	39.970434
"1453562"	492.252467	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H+K"	39.970434
"242159"	1931.102826	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+ACN+H"	42.033826
"1214866"	986.568326	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+ACN+H"	42.033826
"1195470"	493.787801	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+ACN+2H"	43.041102
"192715"	1934.04016	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+2Na-H"	44.97116
"633368"	2878.57466	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+2Na-H"	44.97116
"1144172"	989.50566	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2Na-H"	44.97116
"184545"	967.523718	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+2Na"	45.978436
"623013"	1439.790968	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+2Na"	45.978436
"1127610"	495.256468	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2Na"	45.978436
"1410044"	330.506737333333	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H+2Na"	46.985712
"1438877"	991.547246	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H+HCOOH"	47.012746
"229664"	972.55674	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+3H2O+2H"	56.04448
"1512259"	1005.59929	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+IsoProp+H"	61.06479
"408661"	975.510688	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+Na+K"	61.952376
"781697"	1447.777938	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+Na+K"	61.952376
"1672558"	503.243438	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Na+K"	61.952376
"263832"	1953.084768	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+ACN+Na"	64.015768
"1239093"	1008.550268	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+ACN+Na"	64.015768
"1725427"	1008.573793	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+NH4+HCOOH"	64.039293
"1190053"	337.834051333333	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+3Na"	68.967654
"1661768"	1013.529188	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Na+HCOOH"	68.994688
"170814"	1965.98804	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+2K-H"	76.91904
"610374"	2910.52254	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+2K-H"	76.91904
"1096706"	1021.45354	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2K-H"	76.91904
"154616"	983.497658	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"2M+2K"	77.926316
"594906"	1455.764908	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"3M+2K"	77.926316
"1080874"	511.230408	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2K"	77.926316
"1106428"	1023.468092	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2K+H"	78.933592
"1344999"	1023.555707	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+DMSO+H"	79.021207
"1012436"	1027.594876	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2ACN+H"	83.060376
"1529468"	1028.588508	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+IsoProp+Na+H"	84.054008
"994823"	514.301076	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+2ACN+2H"	84.067652
"1590420"	1029.503128	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+K+HCOOH"	84.968628
"1418268"	1059.534638	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+H+CF3COOH"	115.000138
"1150013"	534.814351	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+3ACN+2H"	125.094202
"1703580"	1076.561185	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+NH4+CF3COOH"	132.026685
"1644698"	1081.51658	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+Na+CF3COOH"	136.98208
"1575974"	1097.49052	"C08792"	"Carnosifloside VI"	"C48H80O18"	"944.5345"	"M+K+CF3COOH"	152.95602
"803060"	574.3142	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M"	0
"979874"	555.29581	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-H2O-H"	-19.01839
"73585"	381.868857333333	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M-3H"	-3.021828
"503304"	573.306924	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M-3H"	-3.021828
"887673"	190.430790666667	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-3H"	-3.021828
"5157"	573.306924	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M-2H"	-2.014552
"449090"	860.464024	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M-2H"	-2.014552
"828351"	286.149824	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-2H"	-2.014552
"89071"	1147.621124	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M-H"	-1.007276
"526446"	1721.935324	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M-H"	-1.007276
"904246"	573.306924	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-H"	-1.007276
"53153"	1164.647671	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M-2H+NH4"	16.019271
"490526"	1738.961871	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M-2H+NH4"	16.019271
"874162"	590.333471	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-2H+NH4"	16.019271
"37322"	1169.603066	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M-2H+Na"	20.974666
"472141"	1743.917266	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M-2H+Na"	20.974666
"859425"	595.288866	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-2H+Na"	20.974666
"1623124"	595.288866	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Na-2H"	20.974666
"108042"	591.295263	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M-H+Cl"	33.962126
"549718"	878.452363	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M-H+Cl"	33.962126
"942544"	304.138163	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-H+Cl"	33.962126
"280041"	1183.597802	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+Cl"	34.969402
"673554"	1757.912002	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+Cl"	34.969402
"1288262"	609.283602	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Cl"	34.969402
"30943"	1185.577006	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M-2H+K"	36.948606
"468075"	1759.891206	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M-2H+K"	36.948606
"842599"	611.262806	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-2H+K"	36.948606
"1567908"	611.262806	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+K-2H"	36.948606
"949596"	619.312394	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-H+HCOOH"	44.998194
"370726"	1193.626601	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+HCOOH-H"	44.998201
"356069"	1207.642251	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+Hac-H"	59.013851
"1504900"	633.328051	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Hac-H"	59.013851
"968069"	641.294351	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-H+NaCOOH"	66.980151
"120257"	609.283602	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+2Cl"	69.938804
"558726"	896.440702	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+2Cl"	69.938804
"1028620"	322.126502	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2Cl"	69.938804
"1254029"	653.233085	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Br"	78.918885
"1316841"	655.289072	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Cl+HCOOH"	80.974872
"1327052"	677.271029	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Cl+NaCOOH"	102.956829
"920297"	687.299786	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M-H+CF3COOH"	112.985586
"1298097"	723.276464	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Cl+CF3COOH"	148.962264
"1370793"	539.301524	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H-2H2O"	-35.012676
"1390475"	557.3115	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H-H2O"	-17.0027
"287974"	1149.635676	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+H"	1.007276
"686962"	1723.949876	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+H"	1.007276
"1363310"	575.321476	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H"	1.007276
"138387"	575.321476	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+2H"	2.014552
"579041"	862.478576	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+2H"	2.014552
"1050035"	288.164376	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2H"	2.014552
"216841"	383.883409333333	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+3H"	3.021828
"657129"	575.321476	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+3H"	3.021828
"1169055"	192.445342666667	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+3H"	3.021828
"432329"	1166.662223	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+NH4"	18.033823
"796604"	1740.976423	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+NH4"	18.033823
"1690746"	592.348023	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+NH4"	18.033823
"335748"	583.8347495	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+H+NH4"	19.041099
"729262"	870.9918495	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+H+NH4"	19.041099
"1479435"	296.6776495	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H+NH4"	19.041099
"398479"	1171.617618	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+Na"	22.989218
"760569"	1745.931818	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+Na"	22.989218
"1609762"	597.303418	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Na"	22.989218
"317245"	586.312447	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+H+Na"	23.996494
"710393"	873.469547	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+H+Na"	23.996494
"1467128"	299.155347	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H+Na"	23.996494
"1056004"	199.772656666667	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2H+Na"	25.00377
"1260963"	607.347686	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+CH3OH+H"	33.033486
"382818"	1187.591558	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+K"	38.963158
"740530"	1761.905758	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+K"	38.963158
"1540516"	613.277358	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+K"	38.963158
"308519"	594.299417	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+H+K"	39.970434
"704225"	881.456517	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+H+K"	39.970434
"1454765"	307.142317	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H+K"	39.970434
"243362"	1190.662226	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+ACN+H"	42.033826
"1220448"	616.348026	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+ACN+H"	42.033826
"1198863"	308.677651	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+ACN+2H"	43.041102
"197201"	1193.59956	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+2Na-H"	44.97116
"633479"	1767.91376	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+2Na-H"	44.97116
"1145375"	619.28536	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2Na-H"	44.97116
"184295"	597.303418	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+2Na"	45.978436
"626406"	884.460518	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+2Na"	45.978436
"1126627"	310.146318	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2Na"	45.978436
"1404688"	207.099970666667	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H+2Na"	46.985712
"1441905"	621.326946	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H+HCOOH"	47.012746
"233788"	602.33644	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+3H2O+2H"	56.04448
"1515651"	635.37899	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+IsoProp+H"	61.06479
"418618"	605.290388	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+Na+K"	61.952376
"779621"	892.447488	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+Na+K"	61.952376
"1678140"	318.133288	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Na+K"	61.952376
"263212"	1212.644168	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+ACN+Na"	64.015768
"1239812"	638.329968	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+ACN+Na"	64.015768
"1725172"	638.353493	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+NH4+HCOOH"	64.039293
"1189071"	214.427284666667	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+3Na"	68.967654
"1660421"	643.308888	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Na+HCOOH"	68.994688
"167280"	1225.54744	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+2K-H"	76.91904
"606473"	1799.86164	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+2K-H"	76.91904
"1096818"	651.23324	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2K-H"	76.91904
"152541"	613.277358	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"2M+2K"	77.926316
"592102"	900.434458	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"3M+2K"	77.926316
"1079894"	326.120258	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2K"	77.926316
"1109819"	653.247792	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2K+H"	78.933592
"1338551"	653.335407	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+DMSO+H"	79.021207
"1008174"	657.374576	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2ACN+H"	83.060376
"1524758"	658.368208	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+IsoProp+Na+H"	84.054008
"990560"	329.190926	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+2ACN+2H"	84.067652
"1593812"	659.282828	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+K+HCOOH"	84.968628
"1418380"	689.314338	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+H+CF3COOH"	115.000138
"1149762"	349.704201	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+3ACN+2H"	125.094202
"1700771"	706.340885	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+NH4+CF3COOH"	132.026685
"1638246"	711.29628	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+Na+CF3COOH"	136.98208
"1582644"	727.27022	"C08793"	"Cucurbitacin A"	"C32H46O9"	"574.3142"	"M+K+CF3COOH"	152.95602
"803170"	558.3193	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M"	0
"979984"	539.30091	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-H2O-H"	-19.01839
"73695"	371.205590666667	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M-3H"	-3.021828
"504508"	557.312024	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M-3H"	-3.021828
"887782"	185.099157333333	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-3H"	-3.021828
"5265"	557.312024	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M-2H"	-2.014552
"447014"	836.471674	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M-2H"	-2.014552
"823721"	278.152374	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-2H"	-2.014552
"91368"	1115.631324	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M-H"	-1.007276
"526556"	1673.950624	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M-H"	-1.007276
"904356"	557.312024	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-H"	-1.007276
"53263"	1132.657871	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M-2H+NH4"	16.019271
"493916"	1690.977171	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M-2H+NH4"	16.019271
"876459"	574.338571	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-2H+NH4"	16.019271
"37432"	1137.613266	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M-2H+Na"	20.974666
"475169"	1695.932566	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M-2H+Na"	20.974666
"859535"	579.293966	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-2H+Na"	20.974666
"1622141"	579.293966	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Na-2H"	20.974666
"107422"	575.300363	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M-H+Cl"	33.962126
"549952"	854.460013	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M-H+Cl"	33.962126
"941593"	296.140713	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-H+Cl"	33.962126
"281974"	1151.608002	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+Cl"	34.969402
"675246"	1709.927302	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+Cl"	34.969402
"1287525"	593.288702	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Cl"	34.969402
"29716"	1153.587206	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M-2H+K"	36.948606
"470372"	1711.906506	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M-2H+K"	36.948606
"843801"	595.267906	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-2H+K"	36.948606
"1568383"	595.267906	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+K-2H"	36.948606
"951892"	603.317494	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-H+HCOOH"	44.998194
"371200"	1161.636801	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+HCOOH-H"	44.998201
"358364"	1175.652451	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+Hac-H"	59.013851
"1505010"	617.333151	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Hac-H"	59.013851
"965992"	625.299451	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-H+NaCOOH"	66.980151
"120367"	593.288702	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+2Cl"	69.938804
"559930"	872.448352	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+2Cl"	69.938804
"1029823"	314.129052	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2Cl"	69.938804
"1254140"	637.238185	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Br"	78.918885
"1318776"	639.294172	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Cl+HCOOH"	80.974872
"1331534"	661.276129	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Cl+NaCOOH"	102.956829
"921500"	671.304886	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M-H+CF3COOH"	112.985586
"1298207"	707.281564	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Cl+CF3COOH"	148.962264
"1370903"	523.306624	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H-2H2O"	-35.012676
"1390585"	541.3166	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H-H2O"	-17.0027
"288084"	1117.645876	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+H"	1.007276
"688165"	1675.965176	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+H"	1.007276
"1361231"	559.326576	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H"	1.007276
"136305"	559.326576	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+2H"	2.014552
"576962"	838.486226	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+2H"	2.014552
"1047956"	280.166926	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2H"	2.014552
"213670"	373.220142666667	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+3H"	3.021828
"656510"	559.326576	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+3H"	3.021828
"1169165"	187.113709333333	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+3H"	3.021828
"432439"	1134.672423	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+NH4"	18.033823
"790153"	1692.991723	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+NH4"	18.033823
"1687576"	576.353123	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+NH4"	18.033823
"334397"	567.8398495	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+H+NH4"	19.041099
"729372"	846.9994995	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+H+NH4"	19.041099
"1481003"	288.6801995	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H+NH4"	19.041099
"395306"	1139.627818	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+Na"	22.989218
"760679"	1697.947118	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+Na"	22.989218
"1606954"	581.308518	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Na"	22.989218
"317355"	570.317547	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+H+Na"	23.996494
"709411"	849.477197	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+H+Na"	23.996494
"1463230"	291.157897	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H+Na"	23.996494
"1056114"	194.441023333333	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2H+Na"	25.00377
"1258520"	591.352786	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+CH3OH+H"	33.033486
"379283"	1155.601758	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+K"	38.963158
"740276"	1713.921058	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+K"	38.963158
"1541602"	597.282458	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+K"	38.963158
"307534"	578.304517	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+H+K"	39.970434
"704335"	857.464167	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+H+K"	39.970434
"1454875"	299.144867	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H+K"	39.970434
"244567"	1158.672426	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+ACN+H"	42.033826
"1216181"	600.353126	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+ACN+H"	42.033826
"1205535"	300.680201	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+ACN+2H"	43.041102
"196218"	1161.60976	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+2Na-H"	44.97116
"634686"	1719.92906	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+2Na-H"	44.97116
"1143662"	603.29046	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2Na-H"	44.97116
"183677"	581.308518	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+2Na"	45.978436
"623601"	860.468168	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+2Na"	45.978436
"1128929"	302.148868	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2Na"	45.978436
"1404798"	201.768337333333	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H+2Na"	46.985712
"1444569"	605.332046	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H+HCOOH"	47.012746
"233534"	586.34154	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+3H2O+2H"	56.04448
"1519042"	619.38409	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+IsoProp+H"	61.06479
"418728"	589.295488	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+Na+K"	61.952376
"779731"	868.455138	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+Na+K"	61.952376
"1679343"	310.135838	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Na+K"	61.952376
"264053"	1180.654368	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+ACN+Na"	64.015768
"1240045"	622.335068	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+ACN+Na"	64.015768
"1726739"	622.358593	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+NH4+HCOOH"	64.039293
"1191366"	209.095651333333	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+3Na"	68.967654
"1661255"	627.313988	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Na+HCOOH"	68.994688
"168483"	1193.55764	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+2K-H"	76.91904
"606583"	1751.87694	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+2K-H"	76.91904
"1097292"	635.23834	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2K-H"	76.91904
"152651"	597.282458	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"2M+2K"	77.926316
"595493"	876.442108	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"3M+2K"	77.926316
"1081096"	318.122808	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2K"	77.926316
"1107745"	637.252892	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2K+H"	78.933592
"1340848"	637.340507	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+DMSO+H"	79.021207
"1008285"	641.379676	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2ACN+H"	83.060376
"1525068"	642.373308	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+IsoProp+Na+H"	84.054008
"990909"	321.193476	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+2ACN+2H"	84.067652
"1595016"	643.287928	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+K+HCOOH"	84.968628
"1420674"	673.319438	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+H+CF3COOH"	115.000138
"1158618"	341.706751	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+3ACN+2H"	125.094202
"1702703"	690.345985	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+NH4+CF3COOH"	132.026685
"1638356"	695.30138	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+Na+CF3COOH"	136.98208
"1582754"	711.27532	"C08794"	"Cucurbitacin B"	"C32H46O8"	"558.3193"	"M+K+CF3COOH"	152.95602
"813123"	560.3349	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M"	0
"981187"	541.31651	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-H2O-H"	-19.01839
"69432"	372.549324	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M-3H"	-3.021828
"507900"	559.327624	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M-3H"	-3.021828
"887892"	185.771024	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-3H"	-3.021828
"6834"	559.327624	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M-2H"	-2.014552
"449310"	839.495074	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M-2H"	-2.014552
"824925"	279.160174	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-2H"	-2.014552
"86010"	1119.662524	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M-H"	-1.007276
"526666"	1679.997424	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M-H"	-1.007276
"907018"	559.327624	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-H"	-1.007276
"56290"	1136.689071	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M-2H+NH4"	16.019271
"495120"	1697.023971	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M-2H+NH4"	16.019271
"876933"	576.354171	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-2H+NH4"	16.019271
"39729"	1141.644466	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M-2H+Na"	20.974666
"481476"	1701.979366	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M-2H+Na"	20.974666
"858916"	581.309566	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-2H+Na"	20.974666
"1625531"	581.309566	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Na-2H"	20.974666
"106801"	577.315963	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M-H+Cl"	33.962126
"548676"	857.483413	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M-H+Cl"	33.962126
"941582"	297.148513	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-H+Cl"	33.962126
"278074"	1155.639202	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+Cl"	34.969402
"671586"	1715.974102	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+Cl"	34.969402
"1285812"	595.304302	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Cl"	34.969402
"31164"	1157.618406	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M-2H+K"	36.948606
"466107"	1717.953306	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M-2H+K"	36.948606
"845005"	597.283506	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-2H+K"	36.948606
"1561930"	597.283506	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+K-2H"	36.948606
"953096"	605.333094	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-H+HCOOH"	44.998194
"370217"	1165.668001	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+HCOOH-H"	44.998201
"358475"	1179.683651	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+Hac-H"	59.013851
"1506213"	619.348751	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Hac-H"	59.013851
"968290"	627.315051	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-H+NaCOOH"	66.980151
"118290"	595.304302	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+2Cl"	69.938804
"555665"	875.471752	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+2Cl"	69.938804
"1029933"	315.136852	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2Cl"	69.938804
"1251696"	639.253785	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Br"	78.918885
"1317789"	641.309772	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Cl+HCOOH"	80.974872
"1329458"	663.291729	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Cl+NaCOOH"	102.956829
"921610"	673.320486	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M-H+CF3COOH"	112.985586
"1297224"	709.297164	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Cl+CF3COOH"	148.962264
"1371013"	525.322224	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H-2H2O"	-35.012676
"1390695"	543.3322	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H-H2O"	-17.0027
"288194"	1121.677076	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+H"	1.007276
"687182"	1682.011976	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+H"	1.007276
"1360248"	561.342176	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H"	1.007276
"135322"	561.342176	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+2H"	2.014552
"575979"	841.509626	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+2H"	2.014552
"1051346"	281.174726	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2H"	2.014552
"215968"	374.563876	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+3H"	3.021828
"656619"	561.342176	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+3H"	3.021828
"1169275"	187.785576	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+3H"	3.021828
"434736"	1138.703623	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+NH4"	18.033823
"790263"	1699.038523	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+NH4"	18.033823
"1684770"	578.368723	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+NH4"	18.033823
"333775"	569.8554495	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+H+NH4"	19.041099
"726198"	850.0228995	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+H+NH4"	19.041099
"1477467"	289.6879995	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H+NH4"	19.041099
"393228"	1143.659018	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+Na"	22.989218
"760060"	1703.993918	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+Na"	22.989218
"1605240"	583.324118	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Na"	22.989218
"316005"	572.333147	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+H+Na"	23.996494
"709156"	852.500597	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+H+Na"	23.996494
"1462247"	292.165697	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H+Na"	23.996494
"1053668"	195.11289	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2H+Na"	25.00377
"1257900"	593.368386	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+CH3OH+H"	33.033486
"377482"	1159.632958	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+K"	38.963158
"740386"	1719.967858	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+K"	38.963158
"1542081"	599.298058	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+K"	38.963158
"309830"	580.320117	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+H+K"	39.970434
"700071"	860.487567	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+H+K"	39.970434
"1454985"	300.152667	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H+K"	39.970434
"245773"	1162.703626	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+ACN+H"	42.033826
"1219576"	602.368726	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+ACN+H"	42.033826
"1204552"	301.688001	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+ACN+2H"	43.041102
"199609"	1165.64096	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+2Na-H"	44.97116
"635889"	1725.97586	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+2Na-H"	44.97116
"1144872"	605.30606	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2Na-H"	44.97116
"186339"	583.324118	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+2Na"	45.978436
"622983"	863.491568	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+2Na"	45.978436
"1128673"	303.156668	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2Na"	45.978436
"1406002"	202.440204	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H+2Na"	46.985712
"1441398"	607.347646	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H+HCOOH"	47.012746
"229999"	588.35714	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+3H2O+2H"	56.04448
"1516967"	621.39969	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+IsoProp+H"	61.06479
"419932"	591.311088	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+Na+K"	61.952376
"780570"	871.478538	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+Na+K"	61.952376
"1679453"	311.143638	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Na+K"	61.952376
"266352"	1184.685568	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+ACN+Na"	64.015768
"1240154"	624.350668	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+ACN+Na"	64.015768
"1726120"	624.374193	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+NH4+HCOOH"	64.039293
"1193543"	209.767518	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+3Na"	68.967654
"1661729"	629.329588	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Na+HCOOH"	68.994688
"170781"	1197.58884	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+2K-H"	76.91904
"609974"	1757.92374	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+2K-H"	76.91904
"1097771"	637.25394	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2K-H"	76.91904
"154221"	599.298058	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"2M+2K"	77.926316
"594876"	879.465508	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"3M+2K"	77.926316
"1080843"	319.130608	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2K"	77.926316
"1110771"	639.268492	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2K+H"	78.933592
"1343146"	639.356107	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+DMSO+H"	79.021207
"1009489"	643.395276	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2ACN+H"	83.060376
"1527614"	644.388908	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+IsoProp+Na+H"	84.054008
"996249"	322.201276	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+2ACN+2H"	84.067652
"1590751"	645.303528	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+K+HCOOH"	84.968628
"1416413"	675.335038	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+H+CF3COOH"	115.000138
"1153262"	342.714551	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+3ACN+2H"	125.094202
"1701722"	692.361585	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+NH4+CF3COOH"	132.026685
"1639559"	697.31698	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+Na+CF3COOH"	136.98208
"1573024"	713.29092	"C08795"	"Cucurbitacin C"	"C32H48O8"	"560.3349"	"M+K+CF3COOH"	152.95602
"812140"	516.3087	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M"	0
"981297"	497.29031	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-H2O-H"	-19.01839
"68448"	343.198524	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M-3H"	-3.021828
"508010"	515.301424	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M-3H"	-3.021828
"884722"	171.095624	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-3H"	-3.021828
"4393"	515.301424	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M-2H"	-2.014552
"442859"	773.455774	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M-2H"	-2.014552
"828315"	257.147074	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-2H"	-2.014552
"89400"	1031.610124	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M-H"	-1.007276
"529692"	1547.918824	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M-H"	-1.007276
"904576"	515.301424	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-H"	-1.007276
"56764"	1048.636671	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M-2H+NH4"	16.019271
"494137"	1564.945371	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M-2H+NH4"	16.019271
"874492"	532.327971	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-2H+NH4"	16.019271
"39839"	1053.592066	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M-2H+Na"	20.974666
"480493"	1569.900766	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M-2H+Na"	20.974666
"857932"	537.283366	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-2H+Na"	20.974666
"1628193"	537.283366	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Na-2H"	20.974666
"106911"	533.289763	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M-H+Cl"	33.962126
"547205"	791.444113	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M-H+Cl"	33.962126
"938169"	275.135413	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-H+Cl"	33.962126
"279278"	1067.586802	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+Cl"	34.969402
"668416"	1583.895502	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+Cl"	34.969402
"1284100"	551.278102	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Cl"	34.969402
"28114"	1069.566006	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M-2H+K"	36.948606
"462937"	1585.874706	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M-2H+K"	36.948606
"844022"	553.257306	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-2H+K"	36.948606
"1562040"	553.257306	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+K-2H"	36.948606
"953206"	561.306894	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-H+HCOOH"	44.998194
"368141"	1077.615601	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+HCOOH-H"	44.998201
"356398"	1091.631251	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+Hac-H"	59.013851
"1501949"	575.322551	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Hac-H"	59.013851
"968399"	583.288851	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-H+NaCOOH"	66.980151
"117306"	551.278102	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+2Cl"	69.938804
"555775"	809.432452	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+2Cl"	69.938804
"1028950"	293.123752	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2Cl"	69.938804
"1251806"	595.227585	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Br"	78.918885
"1317900"	597.283572	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Cl+HCOOH"	80.974872
"1334545"	619.265529	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Cl+NaCOOH"	102.956829
"921720"	629.294286	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M-H+CF3COOH"	112.985586
"1297334"	665.270964	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Cl+CF3COOH"	148.962264
"1371123"	481.296024	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H-2H2O"	-35.012676
"1390805"	499.306	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H-H2O"	-17.0027
"288304"	1033.624676	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+H"	1.007276
"686199"	1549.933376	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+H"	1.007276
"1361452"	517.315976	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H"	1.007276
"135432"	517.315976	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+2H"	2.014552
"573903"	775.470326	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+2H"	2.014552
"1049635"	259.161626	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2H"	2.014552
"213889"	345.213076	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+3H"	3.021828
"654543"	517.315976	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+3H"	3.021828
"1168292"	173.110176	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+3H"	3.021828
"431567"	1050.651223	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+NH4"	18.033823
"790373"	1566.959923	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+NH4"	18.033823
"1684880"	534.342523	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+NH4"	18.033823
"336071"	525.8292495	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+H+NH4"	19.041099
"723757"	783.9835995	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+H+NH4"	19.041099
"1478061"	267.6748995	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H+NH4"	19.041099
"393213"	1055.606618	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+Na"	22.989218
"756526"	1571.915318	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+Na"	22.989218
"1604621"	539.297918	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Na"	22.989218
"315749"	528.306947	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+H+Na"	23.996494
"708173"	786.461297	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+H+Na"	23.996494
"1464179"	270.152597	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H+Na"	23.996494
"1053780"	180.43749	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2H+Na"	25.00377
"1258740"	549.342186	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+CH3OH+H"	33.033486
"377678"	1071.580558	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+K"	38.963158
"741956"	1587.889258	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+K"	38.963158
"1542920"	555.271858	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+K"	38.963158
"309940"	536.293917	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+H+K"	39.970434
"697995"	794.448267	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+H+K"	39.970434
"1454002"	278.139567	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H+K"	39.970434
"243697"	1074.651226	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+ACN+H"	42.033826
"1219686"	558.342526	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+ACN+H"	42.033826
"1204662"	279.674901	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+ACN+2H"	43.041102
"198626"	1077.58856	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+2Na-H"	44.97116
"634905"	1593.89726	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+2Na-H"	44.97116
"1144617"	561.27986	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2Na-H"	44.97116
"186085"	539.297918	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+2Na"	45.978436
"624915"	797.452268	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+2Na"	45.978436
"1128783"	281.143568	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2Na"	45.978436
"1406113"	187.764804	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H+2Na"	46.985712
"1442967"	563.321446	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H+HCOOH"	47.012746
"230109"	544.33094	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+3H2O+2H"	56.04448
"1517077"	577.37349	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+IsoProp+H"	61.06479
"420042"	547.284888	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+Na+K"	61.952376
"780680"	805.439238	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+Na+K"	61.952376
"1676283"	289.130538	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Na+K"	61.952376
"266341"	1096.633168	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+ACN+Na"	64.015768
"1239535"	580.324468	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+ACN+Na"	64.015768
"1726961"	580.347993	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+NH4+HCOOH"	64.039293
"1191221"	195.092118	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+3Na"	68.967654
"1661478"	585.303388	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Na+HCOOH"	68.994688
"168337"	1109.53644	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+2K-H"	76.91904
"607896"	1625.84514	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+2K-H"	76.91904
"1098243"	593.22774	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2K-H"	76.91904
"152506"	555.271858	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"2M+2K"	77.926316
"590242"	813.426208	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"3M+2K"	77.926316
"1078765"	297.117508	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2K"	77.926316
"1104685"	595.242292	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2K+H"	78.933592
"1346172"	595.329907	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+DMSO+H"	79.021207
"1009599"	599.369076	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2ACN+H"	83.060376
"1525534"	600.362708	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+IsoProp+Na+H"	84.054008
"996360"	300.188176	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+2ACN+2H"	84.067652
"1591955"	601.277328	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+K+HCOOH"	84.968628
"1419803"	631.308838	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+H+CF3COOH"	115.000138
"1151185"	320.701451	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+3ACN+2H"	125.094202
"1701832"	648.335385	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+NH4+CF3COOH"	132.026685
"1639669"	653.29078	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+Na+CF3COOH"	136.98208
"1573134"	669.26472	"C08796"	"Cucurbitacin D"	"C30H44O7"	"516.3087"	"M+K+CF3COOH"	152.95602
"816504"	556.3036	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M"	0
"988944"	537.28521	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-H2O-H"	-19.01839
"74027"	369.861790666667	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M-3H"	-3.021828
"513591"	555.296324	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M-3H"	-3.021828
"894920"	184.427257333333	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-3H"	-3.021828
"12157"	555.296324	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M-2H"	-2.014552
"454152"	833.448124	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M-2H"	-2.014552
"831710"	277.144524	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-2H"	-2.014552
"93772"	1111.599924	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M-H"	-1.007276
"533818"	1667.903524	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M-H"	-1.007276
"910286"	555.296324	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-H"	-1.007276
"62226"	1128.626471	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M-2H+NH4"	16.019271
"500449"	1684.930071	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M-2H+NH4"	16.019271
"879710"	572.322871	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-2H+NH4"	16.019271
"46396"	1133.581866	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M-2H+Na"	20.974666
"483522"	1689.885466	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M-2H+Na"	20.974666
"863640"	577.278266	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-2H+Na"	20.974666
"1632929"	577.278266	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Na-2H"	20.974666
"109341"	573.284663	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M-H+Cl"	33.962126
"548901"	851.436463	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M-H+Cl"	33.962126
"941926"	295.132863	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-H+Cl"	33.962126
"281332"	1147.576602	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+Cl"	34.969402
"674364"	1703.880202	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+Cl"	34.969402
"1287739"	591.273002	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Cl"	34.969402
"27862"	1149.555806	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M-2H+K"	36.948606
"467056"	1705.859406	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M-2H+K"	36.948606
"840850"	593.252206	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-2H+K"	36.948606
"1564337"	593.252206	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+K-2H"	36.948606
"953317"	601.301794	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-H+HCOOH"	44.998194
"369344"	1157.605401	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+HCOOH-H"	44.998201
"357238"	1171.621051	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+Hac-H"	59.013851
"1498779"	615.317451	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Hac-H"	59.013851
"966321"	623.283751	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-H+NaCOOH"	66.980151
"121426"	591.273002	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+2Cl"	69.938804
"562445"	869.424802	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+2Cl"	69.938804
"1031246"	313.121202	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2Cl"	69.938804
"1251916"	635.222485	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Br"	78.918885
"1308899"	637.278472	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Cl+HCOOH"	80.974872
"1331863"	659.260429	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Cl+NaCOOH"	102.956829
"924016"	669.289186	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M-H+CF3COOH"	112.985586
"1298537"	705.265864	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Cl+CF3COOH"	148.962264
"1371233"	521.290924	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H-2H2O"	-35.012676
"1390915"	539.3009	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H-H2O"	-17.0027
"294974"	1113.614476	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+H"	1.007276
"681932"	1669.918076	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+H"	1.007276
"1358281"	557.310876	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H"	1.007276
"135548"	557.310876	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+2H"	2.014552
"572922"	835.462676	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+2H"	2.014552
"1049379"	279.159076	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2H"	2.014552
"212905"	371.876342666667	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+3H"	3.021828
"655746"	557.310876	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+3H"	3.021828
"1171682"	186.441809333333	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+3H"	3.021828
"433861"	1130.641023	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+NH4"	18.033823
"795949"	1686.944623	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+NH4"	18.033823
"1684990"	574.337423	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+NH4"	18.033823
"333995"	565.8241495	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+H+NH4"	19.041099
"723865"	843.9759495	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+H+NH4"	19.041099
"1478414"	287.6723495	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H+NH4"	19.041099
"401108"	1135.596418	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+Na"	22.989218
"757364"	1691.900018	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+Na"	22.989218
"1606188"	579.292818	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Na"	22.989218
"317319"	568.301847	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+H+Na"	23.996494
"709740"	846.453647	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+H+Na"	23.996494
"1463925"	290.150047	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H+Na"	23.996494
"1054622"	193.769123333333	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2H+Na"	25.00377
"1259944"	589.337086	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+CH3OH+H"	33.033486
"379247"	1151.570358	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+K"	38.963158
"741338"	1707.873958	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+K"	38.963158
"1549593"	595.266758	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+K"	38.963158
"305676"	576.288817	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+H+K"	39.970434
"702479"	854.440617	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+H+K"	39.970434
"1453018"	298.137017	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H+K"	39.970434
"243806"	1154.641026	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+ACN+H"	42.033826
"1220889"	598.337426	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+ACN+H"	42.033826
"1204772"	299.672351	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+ACN+2H"	43.041102
"197642"	1157.57836	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+2Na-H"	44.97116
"637202"	1713.88196	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+2Na-H"	44.97116
"1141805"	601.27476	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2Na-H"	44.97116
"187776"	579.292818	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+2Na"	45.978436
"627943"	857.444618	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+2Na"	45.978436
"1130720"	301.141018	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2Na"	45.978436
"1409504"	201.096437333333	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H+2Na"	46.985712
"1444657"	603.316346	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H+HCOOH"	47.012746
"231311"	584.32584	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+3H2O+2H"	56.04448
"1519374"	617.36839	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+IsoProp+H"	61.06479
"416872"	587.279788	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+Na+K"	61.952376
"781887"	865.431588	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+Na+K"	61.952376
"1676030"	309.127988	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Na+K"	61.952376
"264385"	1176.622968	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+ACN+Na"	64.015768
"1237093"	620.319368	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+ACN+Na"	64.015768
"1724886"	620.342893	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+NH4+HCOOH"	64.039293
"1193400"	208.423751333333	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+3Na"	68.967654
"1660860"	625.298288	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Na+HCOOH"	68.994688
"168814"	1189.52624	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+2K-H"	76.91904
"610927"	1745.82984	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+2K-H"	76.91904
"1096898"	633.22264	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2K-H"	76.91904
"151889"	595.266758	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"2M+2K"	77.926316
"590722"	873.418558	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"3M+2K"	77.926316
"1075598"	317.114958	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2K"	77.926316
"1109537"	635.237192	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2K+H"	78.933592
"1338266"	635.324807	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+DMSO+H"	79.021207
"1009711"	639.363976	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2ACN+H"	83.060376
"1530755"	640.357608	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+IsoProp+Na+H"	84.054008
"999390"	320.185626	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+2ACN+2H"	84.067652
"1595350"	641.272228	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+K+HCOOH"	84.968628
"1419916"	671.303738	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+H+CF3COOH"	115.000138
"1156764"	340.698901	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+3ACN+2H"	125.094202
"1704129"	688.330285	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+NH4+CF3COOH"	132.026685
"1645247"	693.28568	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+Na+CF3COOH"	136.98208
"1576524"	709.25962	"C08797"	"Cucurbitacin E"	"C32H44O8"	"556.3036"	"M+K+CF3COOH"	152.95602
"806890"	518.3244	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M"	0
"980427"	499.30601	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-H2O-H"	-19.01839
"67574"	344.542324	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M-3H"	-3.021828
"504219"	517.317124	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M-3H"	-3.021828
"888221"	171.767524	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-3H"	-3.021828
"4610"	517.317124	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M-2H"	-2.014552
"446359"	776.479324	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M-2H"	-2.014552
"818692"	258.154924	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-2H"	-2.014552
"93839"	1035.641524	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M-H"	-1.007276
"532951"	1553.965924	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M-H"	-1.007276
"908077"	517.317124	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-H"	-1.007276
"59899"	1052.668071	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M-2H+NH4"	16.019271
"501652"	1570.992471	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M-2H+NH4"	16.019271
"878726"	534.343671	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-2H+NH4"	16.019271
"46021"	1057.623466	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M-2H+Na"	20.974666
"484725"	1575.947866	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M-2H+Na"	20.974666
"862172"	539.299066	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-2H+Na"	20.974666
"1632070"	539.299066	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Na-2H"	20.974666
"108964"	535.305463	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M-H+Cl"	33.962126
"547795"	794.467663	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M-H+Cl"	33.962126
"941189"	276.143263	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-H+Cl"	33.962126
"281443"	1071.618202	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+Cl"	34.969402
"673744"	1589.942602	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+Cl"	34.969402
"1287484"	553.293802	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Cl"	34.969402
"24693"	1073.597406	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M-2H+K"	36.948606
"466437"	1591.921806	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M-2H+K"	36.948606
"835855"	555.273006	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-2H+K"	36.948606
"1560074"	555.273006	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+K-2H"	36.948606
"951240"	563.322594	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-H+HCOOH"	44.998194
"371277"	1081.647001	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+HCOOH-H"	44.998201
"357348"	1095.662651	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+Hac-H"	59.013851
"1498889"	577.338251	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Hac-H"	59.013851
"964245"	585.304551	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-H+NaCOOH"	66.980151
"121536"	553.293802	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+2Cl"	69.938804
"562555"	812.456002	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+2Cl"	69.938804
"1031356"	294.131602	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2Cl"	69.938804
"1254942"	597.243285	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Br"	78.918885
"1312289"	599.299272	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Cl+HCOOH"	80.974872
"1328692"	621.281229	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Cl+NaCOOH"	102.956829
"924126"	631.309986	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M-H+CF3COOH"	112.985586
"1301927"	667.286664	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Cl+CF3COOH"	148.962264
"1372436"	483.311724	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H-2H2O"	-35.012676
"1388838"	501.3217	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H-H2O"	-17.0027
"291803"	1037.656076	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+H"	1.007276
"682042"	1555.980476	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+H"	1.007276
"1358391"	519.331676	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H"	1.007276
"137844"	519.331676	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+2H"	2.014552
"573032"	778.493876	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+2H"	2.014552
"1042925"	260.169476	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2H"	2.014552
"211919"	346.556876	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+3H"	3.021828
"647468"	519.331676	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+3H"	3.021828
"1169605"	173.782076	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+3H"	3.021828
"430690"	1054.682623	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+NH4"	18.033823
"794965"	1573.007023	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+NH4"	18.033823
"1688017"	536.358223	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+NH4"	18.033823
"338479"	527.8449495	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+H+NH4"	19.041099
"723731"	787.0071495	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+H+NH4"	19.041099
"1477793"	268.6827495	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H+NH4"	19.041099
"393434"	1059.638018	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+Na"	22.989218
"755281"	1577.962418	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+Na"	22.989218
"1604839"	541.313618	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Na"	22.989218
"317064"	530.322647	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+H+Na"	23.996494
"708756"	789.484847	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+H+Na"	23.996494
"1462937"	271.160447	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H+Na"	23.996494
"1056916"	181.10939	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2H+Na"	25.00377
"1260783"	551.357886	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+CH3OH+H"	33.033486
"379720"	1075.611958	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+K"	38.963158
"739986"	1593.936358	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+K"	38.963158
"1546423"	557.287558	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+K"	38.963158
"305786"	538.309617	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+H+K"	39.970434
"701496"	797.471817	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+H+K"	39.970434
"1454218"	279.147417	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H+K"	39.970434
"245009"	1078.682626	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+ACN+H"	42.033826
"1220635"	560.358226	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+ACN+H"	42.033826
"1202694"	280.682751	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+ACN+2H"	43.041102
"199939"	1081.61996	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+2Na-H"	44.97116
"635489"	1599.94436	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+2Na-H"	44.97116
"1144102"	563.29556	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2Na-H"	44.97116
"188211"	541.313618	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+2Na"	45.978436
"627934"	800.475818	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+2Na"	45.978436
"1131199"	282.151418	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2Na"	45.978436
"1409614"	188.436704	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H+2Na"	46.985712
"1444645"	565.337146	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H+HCOOH"	47.012746
"230328"	546.34664	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+3H2O+2H"	56.04448
"1519484"	579.38919	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+IsoProp+H"	61.06479
"413702"	549.300588	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+Na+K"	61.952376
"782727"	808.462788	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+Na+K"	61.952376
"1677233"	290.138388	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Na+K"	61.952376
"264494"	1100.664568	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+ACN+Na"	64.015768
"1239391"	582.340168	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+ACN+Na"	64.015768
"1725723"	582.363693	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+NH4+HCOOH"	64.039293
"1191808"	195.764018	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+3Na"	68.967654
"1660240"	587.319088	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Na+HCOOH"	68.994688
"169653"	1113.56784	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+2K-H"	76.91904
"611767"	1631.89224	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+2K-H"	76.91904
"1096643"	595.24344	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2K-H"	76.91904
"152728"	557.287558	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"2M+2K"	77.926316
"593019"	816.449758	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"3M+2K"	77.926316
"1078988"	298.125358	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2K"	77.926316
"1109647"	597.257992	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2K+H"	78.933592
"1338012"	597.345607	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+DMSO+H"	79.021207
"1009821"	601.384776	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2ACN+H"	83.060376
"1531229"	602.378408	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+IsoProp+Na+H"	84.054008
"1000593"	301.196026	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+2ACN+2H"	84.067652
"1595460"	603.293028	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+K+HCOOH"	84.968628
"1420026"	633.324538	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+H+CF3COOH"	115.000138
"1160154"	321.709301	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+3ACN+2H"	125.094202
"1707519"	650.351085	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+NH4+CF3COOH"	132.026685
"1645357"	655.30648	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+Na+CF3COOH"	136.98208
"1576634"	671.28042	"C08798"	"Cucurbitacin F"	"C30H46O7"	"518.3244"	"M+K+CF3COOH"	152.95602
"810280"	534.3193	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M"	0
"988799"	515.30091	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-H2O-H"	-19.01839
"73152"	355.205590666667	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M-3H"	-3.021828
"511620"	533.312024	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M-3H"	-3.021828
"891611"	177.099157333333	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-3H"	-3.021828
"12374"	533.312024	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M-2H"	-2.014552
"447563"	800.471674	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M-2H"	-2.014552
"824269"	266.152374	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-2H"	-2.014552
"89731"	1067.631324	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M-H"	-1.007276
"533182"	1601.950624	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M-H"	-1.007276
"908187"	533.312024	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-H"	-1.007276
"57094"	1084.657871	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M-2H+NH4"	16.019271
"501396"	1618.977171	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M-2H+NH4"	16.019271
"875550"	550.338571	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-2H+NH4"	16.019271
"46249"	1089.613266	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M-2H+Na"	20.974666
"485807"	1623.932566	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M-2H+Na"	20.974666
"863538"	555.293966	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-2H+Na"	20.974666
"1633682"	555.293966	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Na-2H"	20.974666
"107979"	551.300363	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M-H+Cl"	33.962126
"549772"	818.460013	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M-H+Cl"	33.962126
"942475"	284.140713	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-H+Cl"	33.962126
"282611"	1103.608002	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+Cl"	34.969402
"675074"	1637.927302	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+Cl"	34.969402
"1287959"	569.288702	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Cl"	34.969402
"28083"	1105.587206	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M-2H+K"	36.948606
"469829"	1639.906506	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M-2H+K"	36.948606
"837789"	571.267906	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-2H+K"	36.948606
"1567838"	571.267906	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+K-2H"	36.948606
"957182"	579.317494	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-H+HCOOH"	44.998194
"371388"	1113.636801	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+HCOOH-H"	44.998201
"357458"	1127.652451	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+Hac-H"	59.013851
"1496813"	593.333151	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Hac-H"	59.013851
"966543"	601.299451	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-H+NaCOOH"	66.980151
"124198"	569.288702	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+2Cl"	69.938804
"562665"	836.448352	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+2Cl"	69.938804
"1036205"	302.129052	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2Cl"	69.938804
"1256147"	613.238185	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Br"	78.918885
"1315313"	615.294172	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Cl+HCOOH"	80.974872
"1330625"	637.276129	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Cl+NaCOOH"	102.956829
"922776"	647.304886	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M-H+CF3COOH"	112.985586
"1302037"	683.281564	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Cl+CF3COOH"	148.962264
"1374733"	499.306624	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H-2H2O"	-35.012676
"1395510"	517.3166	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H-H2O"	-17.0027
"295195"	1069.645876	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+H"	1.007276
"682152"	1603.965176	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+H"	1.007276
"1360688"	535.326576	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H"	1.007276
"134674"	535.326576	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+2H"	2.014552
"570955"	802.486226	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+2H"	2.014552
"1041941"	268.166926	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2H"	2.014552
"209113"	357.220142666667	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+3H"	3.021828
"648307"	535.326576	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+3H"	3.021828
"1172995"	179.113709333333	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+3H"	3.021828
"432987"	1086.672423	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+NH4"	18.033823
"792888"	1620.991723	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+NH4"	18.033823
"1690314"	552.353123	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+NH4"	18.033823
"334581"	543.8398495	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+H+NH4"	19.041099
"729920"	810.9994995	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+H+NH4"	19.041099
"1479363"	276.6801995	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H+NH4"	19.041099
"395857"	1091.627818	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+Na"	22.989218
"756853"	1625.947118	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+Na"	22.989218
"1604586"	557.308518	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Na"	22.989218
"319364"	546.317547	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+H+Na"	23.996494
"708865"	813.477197	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+H+Na"	23.996494
"1464874"	279.157897	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H+Na"	23.996494
"1056298"	186.441023333333	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2H+Na"	25.00377
"1259800"	567.352786	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+CH3OH+H"	33.033486
"380196"	1107.601758	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+K"	38.963158
"740827"	1641.921058	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+K"	38.963158
"1541061"	573.282458	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+K"	38.963158
"305896"	554.304517	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+H+K"	39.970434
"702699"	821.464167	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+H+K"	39.970434
"1456514"	287.144867	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H+K"	39.970434
"244026"	1110.672426	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+ACN+H"	42.033826
"1220745"	576.353126	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+ACN+H"	42.033826
"1202805"	288.680201	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+ACN+2H"	43.041102
"196769"	1113.60976	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+2Na-H"	44.97116
"635597"	1647.92906	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+2Na-H"	44.97116
"1142024"	579.29046	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2Na-H"	44.97116
"187993"	557.308518	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+2Na"	45.978436
"626944"	824.468168	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+2Na"	45.978436
"1128384"	290.148868	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2Na"	45.978436
"1408629"	193.768337333333	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H+2Na"	46.985712
"1439650"	581.332046	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H+HCOOH"	47.012746
"233718"	562.34154	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+3H2O+2H"	56.04448
"1514491"	595.38409	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+IsoProp+H"	61.06479
"417092"	565.295488	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+Na+K"	61.952376
"783202"	832.455138	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+Na+K"	61.952376
"1679531"	298.135838	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Na+K"	61.952376
"264973"	1132.654368	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+ACN+Na"	64.015768
"1240234"	598.335068	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+ACN+Na"	64.015768
"1727907"	598.358593	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+NH4+HCOOH"	64.039293
"1193743"	201.095651333333	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+3Na"	68.967654
"1662905"	603.313988	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Na+HCOOH"	68.994688
"172565"	1145.55764	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+2K-H"	76.91904
"612082"	1679.87694	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+2K-H"	76.91904
"1099633"	611.23834	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2K-H"	76.91904
"155877"	573.282458	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"2M+2K"	77.926316
"594222"	840.442108	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"3M+2K"	77.926316
"1079098"	306.122808	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2K"	77.926316
"1110121"	613.252892	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2K+H"	78.933592
"1341402"	613.340507	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+DMSO+H"	79.021207
"1012118"	617.379676	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2ACN+H"	83.060376
"1531339"	618.373308	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+IsoProp+Na+H"	84.054008
"1001067"	309.193476	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+2ACN+2H"	84.067652
"1595570"	619.287928	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+K+HCOOH"	84.968628
"1424509"	649.319438	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+H+CF3COOH"	115.000138
"1155890"	329.706751	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+3ACN+2H"	125.094202
"1705442"	666.345985	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+NH4+CF3COOH"	132.026685
"1645467"	671.30138	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+Na+CF3COOH"	136.98208
"1576744"	687.27532	"C08799"	"Cucurbitacin H"	"C30H46O8"	"534.3193"	"M+K+CF3COOH"	152.95602
"803830"	514.2931	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M"	0
"980646"	495.27471	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-H2O-H"	-19.01839
"66700"	341.854790666667	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M-3H"	-3.021828
"502961"	513.285824	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M-3H"	-3.021828
"891721"	170.423757333333	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-3H"	-3.021828
"12485"	513.285824	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M-2H"	-2.014552
"447673"	770.432374	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M-2H"	-2.014552
"824379"	256.139274	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-2H"	-2.014552
"89841"	1027.578924	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M-H"	-1.007276
"533048"	1541.872024	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M-H"	-1.007276
"901737"	513.285824	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-H"	-1.007276
"57204"	1044.605471	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M-2H+NH4"	16.019271
"499682"	1558.898571	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M-2H+NH4"	16.019271
"872380"	530.312371	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-2H+NH4"	16.019271
"45143"	1049.560866	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M-2H+Na"	20.974666
"483122"	1563.853966	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M-2H+Na"	20.974666
"862391"	535.267766	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-2H+Na"	20.974666
"1633379"	535.267766	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Na-2H"	20.974666
"107723"	531.274163	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M-H+Cl"	33.962126
"548500"	788.420713	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M-H+Cl"	33.962126
"941895"	274.127613	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-H+Cl"	33.962126
"282151"	1063.555602	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+Cl"	34.969402
"674695"	1577.848702	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+Cl"	34.969402
"1287459"	549.262502	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Cl"	34.969402
"21632"	1065.534806	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M-2H+K"	36.948606
"468116"	1579.827906	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M-2H+K"	36.948606
"838993"	551.241706	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-2H+K"	36.948606
"1564668"	551.241706	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+K-2H"	36.948606
"950367"	559.291294	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-H+HCOOH"	44.998194
"369675"	1073.584401	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+HCOOH-H"	44.998201
"354652"	1087.600051	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+Hac-H"	59.013851
"1496923"	573.306951	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Hac-H"	59.013851
"966653"	581.273251	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-H+NaCOOH"	66.980151
"124066"	549.262502	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+2Cl"	69.938804
"562775"	806.409052	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+2Cl"	69.938804
"1036804"	292.115952	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2Cl"	69.938804
"1257016"	593.211985	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Br"	78.918885
"1314694"	595.267972	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Cl+HCOOH"	80.974872
"1332922"	617.249929	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Cl+NaCOOH"	102.956829
"922522"	627.278686	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M-H+CF3COOH"	112.985586
"1298866"	663.255364	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Cl+CF3COOH"	148.962264
"1375937"	479.280424	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H-2H2O"	-35.012676
"1396349"	497.2904	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H-H2O"	-17.0027
"297128"	1029.593476	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+H"	1.007276
"680073"	1543.886576	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+H"	1.007276
"1360798"	515.300376	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H"	1.007276
"135878"	515.300376	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+2H"	2.014552
"573251"	772.446926	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+2H"	2.014552
"1043144"	258.153826	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2H"	2.014552
"209223"	343.869342666667	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+3H"	3.021828
"648782"	515.300376	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+3H"	3.021828
"1170918"	172.438309333333	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+3H"	3.021828
"433097"	1046.620023	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+NH4"	18.033823
"792998"	1560.913123	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+NH4"	18.033823
"1685319"	532.326923	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+NH4"	18.033823
"332501"	523.8136495	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+H+NH4"	19.041099
"725652"	780.9601995	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+H+NH4"	19.041099
"1482390"	266.6670995	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H+NH4"	19.041099
"396331"	1051.575418	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+Na"	22.989218
"756963"	1565.868518	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+Na"	22.989218
"1603968"	537.282318	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Na"	22.989218
"321661"	526.291347	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+H+Na"	23.996494
"708611"	783.437897	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+H+Na"	23.996494
"1467902"	269.144797	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H+Na"	23.996494
"1061146"	179.765623333333	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2H+Na"	25.00377
"1261364"	547.326586	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+CH3OH+H"	33.033486
"379577"	1067.549358	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+K"	38.963158
"740937"	1581.842458	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+K"	38.963158
"1540006"	553.256258	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+K"	38.963158
"304913"	534.278317	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+H+K"	39.970434
"702809"	791.424867	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+H+K"	39.970434
"1456624"	277.131767	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H+K"	39.970434
"245228"	1070.620026	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+ACN+H"	42.033826
"1221218"	556.326926	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+ACN+H"	42.033826
"1204008"	278.667101	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+ACN+2H"	43.041102
"195785"	1073.55736	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+2Na-H"	44.97116
"634248"	1587.85046	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+2Na-H"	44.97116
"1142134"	559.26426	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2Na-H"	44.97116
"187498"	537.282318	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+2Na"	45.978436
"628111"	794.428868	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+2Na"	45.978436
"1129587"	280.135768	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2Na"	45.978436
"1407645"	187.092937333333	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H+2Na"	46.985712
"1443040"	561.305846	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H+HCOOH"	47.012746
"233828"	542.31534	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+3H2O+2H"	56.04448
"1519704"	575.35789	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+IsoProp+H"	61.06479
"417202"	545.269288	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+Na+K"	61.952376
"783310"	802.415838	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+Na+K"	61.952376
"1680249"	288.122738	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Na+K"	61.952376
"264719"	1092.601968	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+ACN+Na"	64.015768
"1238156"	578.308868	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+ACN+Na"	64.015768
"1726674"	578.332393	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+NH4+HCOOH"	64.039293
"1192028"	194.420251333333	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+3Na"	68.967654
"1662648"	583.287788	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Na+HCOOH"	68.994688
"171699"	1105.50524	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+2K-H"	76.91904
"610526"	1619.79834	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+2K-H"	76.91904
"1096498"	591.21214	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2K-H"	76.91904
"152945"	553.256258	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"2M+2K"	77.926316
"594332"	810.402808	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"3M+2K"	77.926316
"1079572"	296.109708	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2K"	77.926316
"1110595"	593.226692	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2K+H"	78.933592
"1341512"	593.314307	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+DMSO+H"	79.021207
"1014415"	597.353476	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2ACN+H"	83.060376
"1531449"	598.347108	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+IsoProp+Na+H"	84.054008
"1003365"	299.180376	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+2ACN+2H"	84.067652
"1595680"	599.261728	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+K+HCOOH"	84.968628
"1423526"	629.293238	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+H+CF3COOH"	115.000138
"1154907"	319.693651	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+3ACN+2H"	125.094202
"1704459"	646.319785	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+NH4+CF3COOH"	132.026685
"1645577"	651.27518	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+Na+CF3COOH"	136.98208
"1576854"	667.24912	"C08800"	"Cucurbitacin I"	"C30H42O7"	"514.2931"	"M+K+CF3COOH"	152.95602
"803940"	532.3036	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M"	0
"980756"	513.28521	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-H2O-H"	-19.01839
"66810"	353.861790666667	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M-3H"	-3.021828
"503207"	531.296324	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M-3H"	-3.021828
"891830"	176.427257333333	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-3H"	-3.021828
"11501"	531.296324	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M-2H"	-2.014552
"448876"	797.448124	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M-2H"	-2.014552
"821209"	265.144524	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-2H"	-2.014552
"89951"	1063.599924	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M-H"	-1.007276
"533158"	1595.903524	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M-H"	-1.007276
"904033"	531.296324	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-H"	-1.007276
"60351"	1080.626471	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M-2H+NH4"	16.019271
"499792"	1612.930071	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M-2H+NH4"	16.019271
"873583"	548.322871	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-2H+NH4"	16.019271
"44889"	1085.581866	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M-2H+Na"	20.974666
"484204"	1617.885466	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M-2H+Na"	20.974666
"863475"	553.278266	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-2H+Na"	20.974666
"1631668"	553.278266	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Na-2H"	20.974666
"107470"	549.284663	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M-H+Cl"	33.962126
"548853"	815.436463	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M-H+Cl"	33.962126
"942003"	283.132863	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-H+Cl"	33.962126
"282138"	1099.576602	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+Cl"	34.969402
"675374"	1631.880202	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+Cl"	34.969402
"1285747"	567.273002	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Cl"	34.969402
"21742"	1101.555806	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M-2H+K"	36.948606
"466768"	1633.859406	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M-2H+K"	36.948606
"838009"	569.252206	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-2H+K"	36.948606
"1566964"	569.252206	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+K-2H"	36.948606
"951571"	577.301794	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-H+HCOOH"	44.998194
"364681"	1109.605401	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+HCOOH-H"	44.998201
"354398"	1123.621051	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+Hac-H"	59.013851
"1497033"	591.317451	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Hac-H"	59.013851
"963483"	599.283751	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-H+NaCOOH"	66.980151
"121867"	567.273002	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+2Cl"	69.938804
"562521"	833.424802	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+2Cl"	69.938804
"1035697"	301.121202	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2Cl"	69.938804
"1256367"	611.222485	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Br"	78.918885
"1313711"	613.278472	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Cl+HCOOH"	80.974872
"1333761"	635.260429	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Cl+NaCOOH"	102.956829
"922632"	645.289186	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M-H+CF3COOH"	112.985586
"1298612"	681.265864	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Cl+CF3COOH"	148.962264
"1378233"	497.290924	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H-2H2O"	-35.012676
"1396458"	515.3009	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H-H2O"	-17.0027
"297602"	1065.614476	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+H"	1.007276
"680183"	1597.918076	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+H"	1.007276
"1358722"	533.310876	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H"	1.007276
"138173"	533.310876	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+2H"	2.014552
"570081"	799.462676	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+2H"	2.014552
"1043254"	267.159076	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2H"	2.014552
"211155"	355.876342666667	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+3H"	3.021828
"649985"	533.310876	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+3H"	3.021828
"1170297"	178.441809333333	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+3H"	3.021828
"429196"	1082.641023	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+NH4"	18.033823
"790556"	1614.944623	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+NH4"	18.033823
"1684697"	550.337423	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+NH4"	18.033823
"332975"	541.8241495	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+H+NH4"	19.041099
"726127"	807.9759495	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+H+NH4"	19.041099
"1485416"	275.6723495	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H+NH4"	19.041099
"395347"	1087.596418	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+Na"	22.989218
"755249"	1619.900018	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+Na"	22.989218
"1604806"	555.292818	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Na"	22.989218
"320678"	544.301847	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+H+Na"	23.996494
"712002"	810.453647	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+H+Na"	23.996494
"1471292"	278.150047	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H+Na"	23.996494
"1061257"	185.769123333333	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2H+Na"	25.00377
"1261839"	565.337086	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+CH3OH+H"	33.033486
"379321"	1103.570358	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+K"	38.963158
"740318"	1635.873958	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+K"	38.963158
"1540552"	571.266758	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+K"	38.963158
"302836"	552.288817	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+H+K"	39.970434
"704741"	818.440617	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+H+K"	39.970434
"1454547"	286.137017	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H+K"	39.970434
"243150"	1106.641026	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+ACN+H"	42.033826
"1216953"	574.337426	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+ACN+H"	42.033826
"1203024"	287.672351	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+ACN+2H"	43.041102
"194435"	1109.57836	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+2Na-H"	44.97116
"629985"	1641.88196	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+2Na-H"	44.97116
"1141151"	577.27476	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2Na-H"	44.97116
"187362"	555.292818	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+2Na"	45.978436
"627776"	821.444618	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+2Na"	45.978436
"1127143"	289.141018	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2Na"	45.978436
"1412860"	193.096437333333	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H+2Na"	46.985712
"1443150"	579.316346	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H+HCOOH"	47.012746
"231752"	560.32584	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+3H2O+2H"	56.04448
"1521879"	593.36839	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+IsoProp+H"	61.06479
"417312"	563.279788	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+Na+K"	61.952376
"783421"	829.431588	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+Na+K"	61.952376
"1678656"	297.127988	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Na+K"	61.952376
"264829"	1128.622968	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+ACN+Na"	64.015768
"1238631"	596.319368	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+ACN+Na"	64.015768
"1727516"	596.342893	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+NH4+HCOOH"	64.039293
"1192871"	200.423751333333	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+3Na"	68.967654
"1664217"	601.298288	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Na+HCOOH"	68.994688
"172701"	1141.52624	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+2K-H"	76.91904
"611001"	1673.82984	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+2K-H"	76.91904
"1099159"	609.22264	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2K-H"	76.91904
"152328"	571.266758	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"2M+2K"	77.926316
"594442"	837.418558	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"3M+2K"	77.926316
"1079682"	305.114958	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2K"	77.926316
"1110705"	611.237192	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2K+H"	78.933592
"1341622"	611.324807	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+DMSO+H"	79.021207
"1015618"	615.363976	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2ACN+H"	83.060376
"1532652"	616.357608	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+IsoProp+Na+H"	84.054008
"1004203"	308.185626	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+2ACN+2H"	84.067652
"1595790"	617.272228	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+K+HCOOH"	84.968628
"1423636"	647.303738	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+H+CF3COOH"	115.000138
"1156110"	328.698901	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+3ACN+2H"	125.094202
"1704569"	664.330285	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+NH4+CF3COOH"	132.026685
"1645687"	669.28568	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+Na+CF3COOH"	136.98208
"1576964"	685.25962	"C08801"	"Cucurbitacin J"	"C30H44O8"	"532.3036"	"M+K+CF3COOH"	152.95602
"806236"	516.3087	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M"	0
"980866"	497.29031	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-H2O-H"	-19.01839
"66920"	343.198524	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M-3H"	-3.021828
"504660"	515.301424	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M-3H"	-3.021828
"891940"	171.095624	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-3H"	-3.021828
"9424"	515.301424	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M-2H"	-2.014552
"447893"	773.455774	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M-2H"	-2.014552
"821319"	257.147074	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-2H"	-2.014552
"87874"	1031.610124	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M-H"	-1.007276
"528528"	1547.918824	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M-H"	-1.007276
"903048"	515.301424	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-H"	-1.007276
"58517"	1048.636671	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M-2H+NH4"	16.019271
"498079"	1564.945371	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M-2H+NH4"	16.019271
"873693"	532.327971	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-2H+NH4"	16.019271
"43782"	1053.592066	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M-2H+Na"	20.974666
"483342"	1569.900766	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M-2H+Na"	20.974666
"863586"	537.283366	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-2H+Na"	20.974666
"1633482"	537.283366	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Na-2H"	20.974666
"107947"	533.289763	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M-H+Cl"	33.962126
"549209"	791.444113	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M-H+Cl"	33.962126
"942357"	275.135413	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-H+Cl"	33.962126
"281522"	1067.586802	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+Cl"	34.969402
"674918"	1583.895502	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+Cl"	34.969402
"1287075"	551.278102	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Cl"	34.969402
"25132"	1069.566006	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M-2H+K"	36.948606
"467971"	1585.874706	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M-2H+K"	36.948606
"840306"	553.257306	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-2H+K"	36.948606
"1567073"	553.257306	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+K-2H"	36.948606
"952774"	561.306894	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-H+HCOOH"	44.998194
"364427"	1077.615601	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+HCOOH-H"	44.998201
"356696"	1091.631251	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+Hac-H"	59.013851
"1499330"	575.322551	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Hac-H"	59.013851
"963593"	583.288851	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-H+NaCOOH"	66.980151
"124164"	551.278102	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+2Cl"	69.938804
"561903"	809.432452	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+2Cl"	69.938804
"1036171"	293.123752	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2Cl"	69.938804
"1256884"	595.227585	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Br"	78.918885
"1316008"	597.283572	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Cl+HCOOH"	80.974872
"1332412"	619.265529	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Cl+NaCOOH"	102.956829
"916908"	629.294286	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M-H+CF3COOH"	112.985586
"1301273"	665.270964	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Cl+CF3COOH"	148.962264
"1379437"	481.296024	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H-2H2O"	-35.012676
"1397905"	499.306	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H-H2O"	-17.0027
"296619"	1033.624676	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+H"	1.007276
"684667"	1549.933376	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+H"	1.007276
"1359925"	517.315976	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H"	1.007276
"138283"	517.315976	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+2H"	2.014552
"572378"	775.470326	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+2H"	2.014552
"1042635"	259.161626	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2H"	2.014552
"212723"	345.213076	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+3H"	3.021828
"654105"	517.315976	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+3H"	3.021828
"1174417"	173.110176	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+3H"	3.021828
"431128"	1050.651223	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+NH4"	18.033823
"793218"	1566.959923	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+NH4"	18.033823
"1688454"	534.342523	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+NH4"	18.033823
"341107"	525.8292495	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+H+NH4"	19.041099
"732434"	783.9835995	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+H+NH4"	19.041099
"1485162"	267.6748995	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H+NH4"	19.041099
"399469"	1055.606618	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+Na"	22.989218
"756455"	1571.915318	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+Na"	22.989218
"1605648"	539.297918	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Na"	22.989218
"326984"	528.306947	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+H+Na"	23.996494
"714302"	786.461297	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+H+Na"	23.996494
"1474682"	270.152597	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H+Na"	23.996494
"1066833"	180.43749	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2H+Na"	25.00377
"1268512"	549.342186	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+CH3OH+H"	33.033486
"381621"	1071.580558	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+K"	38.963158
"741521"	1587.889258	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+K"	38.963158
"1541756"	555.271858	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+K"	38.963158
"305133"	536.293917	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+H+K"	39.970434
"704487"	794.448267	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+H+K"	39.970434
"1454657"	278.139567	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H+K"	39.970434
"243260"	1074.651226	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+ACN+H"	42.033826
"1217063"	558.342526	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+ACN+H"	42.033826
"1199854"	279.674901	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+ACN+2H"	43.041102
"191629"	1077.58856	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+2Na-H"	44.97116
"632282"	1593.89726	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+2Na-H"	44.97116
"1141990"	561.27986	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2Na-H"	44.97116
"188085"	539.297918	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+2Na"	45.978436
"627888"	797.452268	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+2Na"	45.978436
"1127253"	281.143568	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2Na"	45.978436
"1412361"	187.764804	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H+2Na"	46.985712
"1444353"	563.321446	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H+HCOOH"	47.012746
"230769"	544.33094	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+3H2O+2H"	56.04448
"1516643"	577.37349	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+IsoProp+H"	61.06479
"417422"	547.284888	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+Na+K"	61.952376
"783166"	805.439238	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+Na+K"	61.952376
"1678037"	289.130538	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Na+K"	61.952376
"266029"	1096.633168	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+ACN+Na"	64.015768
"1239106"	580.324468	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+ACN+Na"	64.015768
"1726531"	580.347993	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+NH4+HCOOH"	64.039293
"1192248"	195.092118	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+3Na"	68.967654
"1663840"	585.303388	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Na+HCOOH"	68.994688
"171920"	1109.53644	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+2K-H"	76.91904
"612209"	1625.84514	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+2K-H"	76.91904
"1099149"	593.22774	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2K-H"	76.91904
"154626"	555.271858	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"2M+2K"	77.926316
"594553"	813.426208	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"3M+2K"	77.926316
"1079793"	297.117508	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2K"	77.926316
"1110815"	595.242292	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2K+H"	78.933592
"1341732"	595.329907	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+DMSO+H"	79.021207
"1015729"	599.369076	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2ACN+H"	83.060376
"1533855"	600.362708	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+IsoProp+Na+H"	84.054008
"1003463"	300.188176	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+2ACN+2H"	84.067652
"1595900"	601.277328	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+K+HCOOH"	84.968628
"1423746"	631.308838	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+H+CF3COOH"	115.000138
"1157314"	320.701451	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+3ACN+2H"	125.094202
"1705772"	648.335385	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+NH4+CF3COOH"	132.026685
"1645797"	653.29078	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+Na+CF3COOH"	136.98208
"1577074"	669.26472	"C08802"	"Cucurbitacin L"	"C30H44O7"	"516.3087"	"M+K+CF3COOH"	152.95602
"805253"	518.3244	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M"	0
"978789"	499.30601	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-H2O-H"	-19.01839
"65936"	344.542324	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M-3H"	-3.021828
"510967"	517.317124	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M-3H"	-3.021828
"888770"	171.767524	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-3H"	-3.021828
"6254"	517.317124	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M-2H"	-2.014552
"450190"	776.479324	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M-2H"	-2.014552
"830058"	258.154924	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-2H"	-2.014552
"91265"	1035.641524	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M-H"	-1.007276
"530826"	1553.965924	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M-H"	-1.007276
"905345"	517.317124	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-H"	-1.007276
"59720"	1052.668071	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M-2H+NH4"	16.019271
"499282"	1570.992471	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M-2H+NH4"	16.019271
"874896"	534.343671	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-2H+NH4"	16.019271
"39516"	1057.623466	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M-2H+Na"	20.974666
"483452"	1575.947866	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M-2H+Na"	20.974666
"863086"	539.299066	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-2H+Na"	20.974666
"1632138"	539.299066	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Na-2H"	20.974666
"108056"	535.305463	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M-H+Cl"	33.962126
"548106"	794.467663	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M-H+Cl"	33.962126
"942341"	276.143263	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-H+Cl"	33.962126
"280417"	1071.618202	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+Cl"	34.969402
"675025"	1589.942602	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+Cl"	34.969402
"1283778"	553.293802	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Cl"	34.969402
"29981"	1073.597406	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M-2H+K"	36.948606
"464802"	1591.921806	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M-2H+K"	36.948606
"846614"	555.273006	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-2H+K"	36.948606
"1566094"	555.273006	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+K-2H"	36.948606
"950698"	563.322594	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-H+HCOOH"	44.998194
"368913"	1081.647001	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+HCOOH-H"	44.998201
"353890"	1095.662651	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+Hac-H"	59.013851
"1497256"	577.338251	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Hac-H"	59.013851
"958528"	585.304551	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-H+NaCOOH"	66.980151
"113706"	553.293802	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+2Cl"	69.938804
"555454"	812.456002	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+2Cl"	69.938804
"1029721"	294.131602	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2Cl"	69.938804
"1253670"	597.243285	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Br"	78.918885
"1312839"	599.299272	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Cl+HCOOH"	80.974872
"1329241"	621.281229	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Cl+NaCOOH"	102.956829
"915925"	631.309986	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M-H+CF3COOH"	112.985586
"1293726"	667.286664	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Cl+CF3COOH"	148.962264
"1377361"	483.311724	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H-2H2O"	-35.012676
"1393765"	501.3217	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H-H2O"	-17.0027
"294544"	1037.656076	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+H"	1.007276
"684777"	1555.980476	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+H"	1.007276
"1358942"	519.331676	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H"	1.007276
"136207"	519.331676	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+2H"	2.014552
"568844"	778.493876	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+2H"	2.014552
"1042380"	260.169476	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2H"	2.014552
"205905"	346.556876	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+3H"	3.021828
"645832"	519.331676	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+3H"	3.021828
"1172342"	173.782076	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+3H"	3.021828
"431606"	1054.682623	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+NH4"	18.033823
"793328"	1573.007023	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+NH4"	18.033823
"1694034"	536.358223	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+NH4"	18.033823
"341218"	527.8449495	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+H+NH4"	19.041099
"732544"	787.0071495	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+H+NH4"	19.041099
"1487458"	268.6827495	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H+NH4"	19.041099
"405045"	1059.638018	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+Na"	22.989218
"761667"	1577.962418	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+Na"	22.989218
"1609766"	541.313618	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Na"	22.989218
"328187"	530.322647	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+H+Na"	23.996494
"713319"	789.484847	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+H+Na"	23.996494
"1469325"	271.160447	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H+Na"	23.996494
"1067068"	181.10939	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2H+Na"	25.00377
"1265342"	551.357886	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+CH3OH+H"	33.033486
"381731"	1075.611958	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+K"	38.963158
"742725"	1593.936358	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+K"	38.963158
"1541502"	557.287558	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+K"	38.963158
"305243"	538.309617	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+H+K"	39.970434
"706743"	797.471817	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+H+K"	39.970434
"1456954"	279.147417	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H+K"	39.970434
"243370"	1078.682626	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+ACN+H"	42.033826
"1217173"	560.358226	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+ACN+H"	42.033826
"1201057"	280.682751	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+ACN+2H"	43.041102
"192468"	1081.61996	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+2Na-H"	44.97116
"632027"	1599.94436	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+2Na-H"	44.97116
"1142100"	563.29556	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2Na-H"	44.97116
"188077"	541.313618	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+2Na"	45.978436
"627880"	800.475818	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+2Na"	45.978436
"1126634"	282.151418	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2Na"	45.978436
"1412471"	188.436704	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H+2Na"	46.985712
"1444464"	565.337146	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H+HCOOH"	47.012746
"228692"	546.34664	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+3H2O+2H"	56.04448
"1515660"	579.38919	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+IsoProp+H"	61.06479
"416439"	549.300588	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+Na+K"	61.952376
"782910"	808.462788	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+Na+K"	61.952376
"1674867"	290.138388	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Na+K"	61.952376
"264679"	1100.664568	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+ACN+Na"	64.015768
"1239210"	582.340168	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+ACN+Na"	64.015768
"1721897"	582.363693	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+NH4+HCOOH"	64.039293
"1192720"	195.764018	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+3Na"	68.967654
"1659333"	587.319088	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Na+HCOOH"	68.994688
"172033"	1113.56784	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+2K-H"	76.91904
"611588"	1631.89224	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+2K-H"	76.91904
"1095732"	595.24344	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2K-H"	76.91904
"155464"	557.287558	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"2M+2K"	77.926316
"593204"	816.449758	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"3M+2K"	77.926316
"1082943"	298.125358	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2K"	77.926316
"1109833"	597.257992	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2K+H"	78.933592
"1341843"	597.345607	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+DMSO+H"	79.021207
"1015838"	601.384776	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2ACN+H"	83.060376
"1532871"	602.378408	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+IsoProp+Na+H"	84.054008
"997132"	301.196026	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+2ACN+2H"	84.067652
"1596010"	603.293028	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+K+HCOOH"	84.968628
"1424952"	633.324538	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+H+CF3COOH"	115.000138
"1160705"	321.709301	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+3ACN+2H"	125.094202
"1710257"	650.351085	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+NH4+CF3COOH"	132.026685
"1642627"	655.30648	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+Na+CF3COOH"	136.98208
"1577184"	671.28042	"C08803"	"Cucurbitacin O"	"C30H46O7"	"518.3244"	"M+K+CF3COOH"	152.95602
"804270"	520.34	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M"	0
"981084"	501.32161	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-H2O-H"	-19.01839
"70418"	345.886057333333	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M-3H"	-3.021828
"511077"	519.332724	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M-3H"	-3.021828
"888880"	172.439390666667	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-3H"	-3.021828
"6364"	519.332724	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M-2H"	-2.014552
"449207"	779.502724	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M-2H"	-2.014552
"828102"	259.162724	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-2H"	-2.014552
"91011"	1039.672724	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M-H"	-1.007276
"530936"	1560.012724	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M-H"	-1.007276
"904362"	519.332724	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-H"	-1.007276
"57644"	1056.699271	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M-2H+NH4"	16.019271
"498299"	1577.039271	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M-2H+NH4"	16.019271
"873913"	536.359271	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-2H+NH4"	16.019271
"39626"	1061.654666	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M-2H+Na"	20.974666
"482469"	1581.994666	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M-2H+Na"	20.974666
"864047"	541.314666	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-2H+Na"	20.974666
"1633626"	541.314666	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Na-2H"	20.974666
"109502"	537.321063	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M-H+Cl"	33.962126
"549305"	797.491063	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M-H+Cl"	33.962126
"942207"	277.151063	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-H+Cl"	33.962126
"280163"	1075.649402	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+Cl"	34.969402
"675579"	1595.989402	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+Cl"	34.969402
"1283888"	555.309402	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Cl"	34.969402
"30780"	1077.628606	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M-2H+K"	36.948606
"464912"	1597.968606	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M-2H+K"	36.948606
"843808"	557.288606	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-2H+K"	36.948606
"1565111"	557.288606	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+K-2H"	36.948606
"945340"	565.338194	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-H+HCOOH"	44.998194
"369023"	1085.678201	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+HCOOH-H"	44.998201
"348533"	1099.693851	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+Hac-H"	59.013851
"1495179"	579.353851	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Hac-H"	59.013851
"959188"	587.320151	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-H+NaCOOH"	66.980151
"114180"	555.309402	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+2Cl"	69.938804
"553741"	815.479402	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+2Cl"	69.938804
"1027644"	295.139402	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2Cl"	69.938804
"1252687"	599.258885	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Br"	78.918885
"1310762"	601.314872	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Cl+HCOOH"	80.974872
"1326071"	623.296829	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Cl+NaCOOH"	102.956829
"914942"	633.325586	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M-H+CF3COOH"	112.985586
"1290556"	669.302264	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Cl+CF3COOH"	148.962264
"1377471"	485.327324	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H-2H2O"	-35.012676
"1391688"	503.3373	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H-H2O"	-17.0027
"292467"	1041.687276	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+H"	1.007276
"683794"	1562.027276	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+H"	1.007276
"1359052"	521.347276	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H"	1.007276
"134130"	521.347276	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+2H"	2.014552
"570776"	781.517276	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+2H"	2.014552
"1039207"	261.177276	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2H"	2.014552
"206016"	347.900609333333	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+3H"	3.021828
"651410"	521.347276	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+3H"	3.021828
"1172452"	174.453942666667	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+3H"	3.021828
"432809"	1058.713823	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+NH4"	18.033823
"793438"	1579.053823	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+NH4"	18.033823
"1694509"	538.373823	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+NH4"	18.033823
"341328"	529.8605495	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+H+NH4"	19.041099
"732654"	790.0305495	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+H+NH4"	19.041099
"1487568"	269.6905495	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H+NH4"	19.041099
"406246"	1063.669218	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+Na"	22.989218
"765054"	1584.009218	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+Na"	22.989218
"1615343"	543.329218	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Na"	22.989218
"325381"	532.338247	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+H+Na"	23.996494
"712335"	792.508247	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+H+Na"	23.996494
"1472715"	272.168247	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H+Na"	23.996494
"1067057"	181.781256666667	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2H+Na"	25.00377
"1266545"	553.373486	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+CH3OH+H"	33.033486
"382934"	1079.643158	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+K"	38.963158
"742835"	1599.983158	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+K"	38.963158
"1540152"	559.303158	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+K"	38.963158
"305353"	540.325217	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+H+K"	39.970434
"703975"	800.495217	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+H+K"	39.970434
"1457065"	280.155217	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H+K"	39.970434
"243480"	1082.713826	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+ACN+H"	42.033826
"1217284"	562.373826	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+ACN+H"	42.033826
"1202261"	281.690551	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+ACN+2H"	43.041102
"196224"	1085.65116	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+2Na-H"	44.97116
"632503"	1605.99116	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+2Na-H"	44.97116
"1140752"	565.31116	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2Na-H"	44.97116
"188267"	543.329218	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+2Na"	45.978436
"628271"	803.499218	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+2Na"	45.978436
"1127473"	283.159218	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2Na"	45.978436
"1413634"	189.108570666667	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H+2Na"	46.985712
"1444937"	567.352746	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H+HCOOH"	47.012746
"226615"	548.36224	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+3H2O+2H"	56.04448
"1516863"	581.40479	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+IsoProp+H"	61.06479
"415455"	551.316188	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+Na+K"	61.952376
"781927"	811.486188	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+Na+K"	61.952376
"1676070"	291.146188	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Na+K"	61.952376
"266694"	1104.695768	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+ACN+Na"	64.015768
"1240413"	584.355768	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+ACN+Na"	64.015768
"1722007"	584.379293	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+NH4+HCOOH"	64.039293
"1193195"	196.435884666667	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+3Na"	68.967654
"1660537"	589.334688	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Na+HCOOH"	68.994688
"171900"	1117.59904	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+2K-H"	76.91904
"612063"	1637.93904	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+2K-H"	76.91904
"1092562"	597.25904	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2K-H"	76.91904
"155210"	559.303158	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"2M+2K"	77.926316
"588940"	819.473158	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"3M+2K"	77.926316
"1081107"	299.133158	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2K"	77.926316
"1108850"	599.273592	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2K+H"	78.933592
"1341953"	599.361207	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+DMSO+H"	79.021207
"1015948"	603.400376	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2ACN+H"	83.060376
"1532981"	604.394008	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+IsoProp+Na+H"	84.054008
"999429"	302.203826	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+2ACN+2H"	84.067652
"1595027"	605.308628	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+K+HCOOH"	84.968628
"1425062"	635.340138	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+H+CF3COOH"	115.000138
"1160815"	322.717101	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+3ACN+2H"	125.094202
"1710367"	652.366685	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+NH4+CF3COOH"	132.026685
"1642737"	657.32208	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+Na+CF3COOH"	136.98208
"1577294"	673.29602	"C08804"	"Cucurbitacin P"	"C30H48O7"	"520.34"	"M+K+CF3COOH"	152.95602
"813128"	560.3349	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M"	0
"983381"	541.31651	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-H2O-H"	-19.01839
"72716"	372.549324	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M-3H"	-3.021828
"514468"	559.327624	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M-3H"	-3.021828
"894094"	185.771024	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-3H"	-3.021828
"9754"	559.327624	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M-2H"	-2.014552
"453328"	839.495074	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M-2H"	-2.014552
"828213"	279.160174	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-2H"	-2.014552
"93638"	1119.662524	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M-H"	-1.007276
"532992"	1679.997424	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M-H"	-1.007276
"908847"	559.327624	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-H"	-1.007276
"60792"	1136.689071	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M-2H+NH4"	16.019271
"499502"	1697.023971	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M-2H+NH4"	16.019271
"874023"	576.354171	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-2H+NH4"	16.019271
"39736"	1141.644466	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M-2H+Na"	20.974666
"486962"	1701.979366	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M-2H+Na"	20.974666
"864150"	581.309566	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-2H+Na"	20.974666
"1634151"	581.309566	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Na-2H"	20.974666
"109332"	577.315963	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M-H+Cl"	33.962126
"549499"	857.483413	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M-H+Cl"	33.962126
"942764"	297.148513	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-H+Cl"	33.962126
"278088"	1155.639202	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+Cl"	34.969402
"675494"	1715.974102	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+Cl"	34.969402
"1288051"	595.304302	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Cl"	34.969402
"29837"	1157.618406	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M-2H+K"	36.948606
"469397"	1717.953306	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M-2H+K"	36.948606
"845012"	597.283506	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-2H+K"	36.948606
"1567407"	597.283506	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+K-2H"	36.948606
"954198"	605.333094	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-H+HCOOH"	44.998194
"369133"	1165.668001	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+HCOOH-H"	44.998201
"350829"	1179.683651	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+Hac-H"	59.013851
"1500756"	619.348751	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Hac-H"	59.013851
"967204"	627.315051	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-H+NaCOOH"	66.980151
"119394"	595.304302	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+2Cl"	69.938804
"556767"	875.471752	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+2Cl"	69.938804
"1028847"	315.136852	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2Cl"	69.938804
"1251705"	639.253785	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Br"	78.918885
"1313058"	641.309772	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Cl+HCOOH"	80.974872
"1329462"	663.291729	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Cl+NaCOOH"	102.956829
"921613"	673.320486	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M-H+CF3COOH"	112.985586
"1291759"	709.297164	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Cl+CF3COOH"	148.962264
"1375389"	525.322224	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H-2H2O"	-35.012676
"1395078"	543.3322	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H-H2O"	-17.0027
"292577"	1121.677076	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+H"	1.007276
"687185"	1682.011976	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+H"	1.007276
"1363533"	561.342176	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H"	1.007276
"134240"	561.342176	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+2H"	2.014552
"575988"	841.509626	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+2H"	2.014552
"1044787"	281.174726	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2H"	2.014552
"212689"	374.563876	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+3H"	3.021828
"647511"	561.342176	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+3H"	3.021828
"1171469"	187.785576	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+3H"	3.021828
"428178"	1138.703623	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+NH4"	18.033823
"792455"	1699.038523	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+NH4"	18.033823
"1690973"	578.368723	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+NH4"	18.033823
"338156"	569.8554495	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+H+NH4"	19.041099
"730576"	850.0228995	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+H+NH4"	19.041099
"1489865"	289.6879995	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H+NH4"	19.041099
"406360"	1143.659018	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+Na"	22.989218
"765166"	1703.993918	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+Na"	22.989218
"1615453"	583.324118	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Na"	22.989218
"320025"	572.333147	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+H+Na"	23.996494
"709892"	852.500597	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+H+Na"	23.996494
"1467358"	292.165697	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H+Na"	23.996494
"1058416"	195.11289	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2H+Na"	25.00377
"1261187"	593.368386	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+CH3OH+H"	33.033486
"380857"	1159.632958	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+K"	38.963158
"741853"	1719.967858	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+K"	38.963158
"1543908"	599.298058	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+K"	38.963158
"301451"	580.320117	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+H+K"	39.970434
"706481"	860.487567	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+H+K"	39.970434
"1456447"	300.152667	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H+K"	39.970434
"247238"	1162.703626	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+ACN+H"	42.033826
"1220675"	602.368726	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+ACN+H"	42.033826
"1201278"	301.688001	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+ACN+2H"	43.041102
"196334"	1165.64096	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+2Na-H"	44.97116
"631882"	1725.97586	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+2Na-H"	44.97116
"1142321"	605.30606	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2Na-H"	44.97116
"187935"	583.324118	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+2Na"	45.978436
"628342"	863.491568	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+2Na"	45.978436
"1131219"	303.156668	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2Na"	45.978436
"1414039"	202.440204	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H+2Na"	46.985712
"1445415"	607.347646	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H+HCOOH"	47.012746
"232919"	588.35714	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+3H2O+2H"	56.04448
"1518066"	621.39969	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+IsoProp+H"	61.06479
"419940"	591.311088	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+Na+K"	61.952376
"783861"	871.478538	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+Na+K"	61.952376
"1678367"	311.143638	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Na+K"	61.952376
"266361"	1184.685568	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+ACN+Na"	64.015768
"1238709"	624.350668	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+ACN+Na"	64.015768
"1727227"	624.374193	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+NH4+HCOOH"	64.039293
"1192706"	209.767518	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+3Na"	68.967654
"1654087"	629.329588	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Na+HCOOH"	68.994688
"172498"	1197.58884	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+2K-H"	76.91904
"612298"	1757.92374	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+2K-H"	76.91904
"1098997"	637.25394	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2K-H"	76.91904
"155927"	599.298058	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"2M+2K"	77.926316
"595368"	879.465508	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"3M+2K"	77.926316
"1080123"	319.130608	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2K"	77.926316
"1108957"	639.268492	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2K+H"	78.933592
"1347530"	639.356107	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+DMSO+H"	79.021207
"1016059"	643.395276	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2ACN+H"	83.060376
"1533089"	644.388908	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+IsoProp+Na+H"	84.054008
"1003795"	322.201276	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+2ACN+2H"	84.067652
"1598418"	645.303528	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+K+HCOOH"	84.968628
"1427359"	675.335038	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+H+CF3COOH"	115.000138
"1160925"	342.714551	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+3ACN+2H"	125.094202
"1711570"	692.361585	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+NH4+CF3COOH"	132.026685
"1642847"	697.31698	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+Na+CF3COOH"	136.98208
"1577404"	713.29092	"C08805"	"Cucurbitacin Q"	"C32H48O8"	"560.3349"	"M+K+CF3COOH"	152.95602
"804490"	498.2981	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M"	0
"983491"	479.27971	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-H2O-H"	-19.01839
"71732"	331.191457333333	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M-3H"	-3.021828
"509110"	497.290824	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M-3H"	-3.021828
"893111"	165.092090666667	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-3H"	-3.021828
"9864"	497.290824	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M-2H"	-2.014552
"453438"	746.439874	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M-2H"	-2.014552
"827229"	248.141774	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-2H"	-2.014552
"91595"	995.588924	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M-H"	-1.007276
"532616"	1493.887024	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M-H"	-1.007276
"908715"	497.290824	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-H"	-1.007276
"55676"	1012.615471	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M-2H+NH4"	16.019271
"498519"	1510.913571	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M-2H+NH4"	16.019271
"874133"	514.317371	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-2H+NH4"	16.019271
"36566"	1017.570866	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M-2H+Na"	20.974666
"486501"	1515.868966	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M-2H+Na"	20.974666
"864109"	519.272766	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-2H+Na"	20.974666
"1633073"	519.272766	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Na-2H"	20.974666
"109235"	515.279163	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M-H+Cl"	33.962126
"549852"	764.428213	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M-H+Cl"	33.962126
"942145"	266.130113	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-H+Cl"	33.962126
"280013"	1031.565602	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+Cl"	34.969402
"674628"	1529.863702	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+Cl"	34.969402
"1288080"	533.267502	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Cl"	34.969402
"29947"	1033.544806	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M-2H+K"	36.948606
"469507"	1531.842906	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M-2H+K"	36.948606
"844029"	535.246706	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-2H+K"	36.948606
"1567517"	535.246706	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+K-2H"	36.948606
"954308"	543.296294	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-H+HCOOH"	44.998194
"369243"	1041.594401	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+HCOOH-H"	44.998201
"350939"	1055.610051	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+Hac-H"	59.013851
"1500866"	557.311951	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Hac-H"	59.013851
"967314"	565.278251	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-H+NaCOOH"	66.980151
"119504"	533.267502	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+2Cl"	69.938804
"556877"	782.416552	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+2Cl"	69.938804
"1028957"	284.118452	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2Cl"	69.938804
"1251815"	577.216985	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Br"	78.918885
"1313168"	579.272972	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Cl+HCOOH"	80.974872
"1329572"	601.254929	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Cl+NaCOOH"	102.956829
"921723"	611.283686	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M-H+CF3COOH"	112.985586
"1292962"	647.260364	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Cl+CF3COOH"	148.962264
"1375499"	463.285424	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H-2H2O"	-35.012676
"1394824"	481.2954	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H-H2O"	-17.0027
"292687"	997.603476	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+H"	1.007276
"687295"	1495.901576	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+H"	1.007276
"1364737"	499.305376	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H"	1.007276
"131065"	499.305376	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+2H"	2.014552
"575000"	748.454426	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+2H"	2.014552
"1040158"	250.156326	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2H"	2.014552
"205263"	333.206009333333	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+3H"	3.021828
"648350"	499.305376	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+3H"	3.021828
"1166476"	167.106642666667	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+3H"	3.021828
"425372"	1014.630023	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+NH4"	18.033823
"791471"	1512.928123	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+NH4"	18.033823
"1692176"	516.331923	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+NH4"	18.033823
"338266"	507.8186495	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+H+NH4"	19.041099
"730686"	756.9676995	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+H+NH4"	19.041099
"1491068"	258.6695995	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H+NH4"	19.041099
"406470"	1019.585418	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+Na"	22.989218
"767464"	1517.883518	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+Na"	22.989218
"1615563"	521.287318	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Na"	22.989218
"320134"	510.296347	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+H+Na"	23.996494
"710366"	759.445397	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+H+Na"	23.996494
"1469656"	261.147297	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H+Na"	23.996494
"1059620"	174.433956666667	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2H+Na"	25.00377
"1261297"	531.331586	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+CH3OH+H"	33.033486
"382060"	1035.559358	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+K"	38.963158
"744149"	1533.857458	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+K"	38.963158
"1542924"	537.261258	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+K"	38.963158
"299739"	518.283317	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+H+K"	39.970434
"703831"	767.432367	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+H+K"	39.970434
"1456192"	269.134267	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H+K"	39.970434
"247348"	1038.630026	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+ACN+H"	42.033826
"1219692"	540.331926	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+ACN+H"	42.033826
"1201388"	270.669601	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+ACN+2H"	43.041102
"198267"	1041.56736	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+2Na-H"	44.97116
"634910"	1539.86546	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+2Na-H"	44.97116
"1142431"	543.26926	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2Na-H"	44.97116
"187921"	521.287318	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+2Na"	45.978436
"628432"	770.436368	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+2Na"	45.978436
"1131060"	272.138268	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2Na"	45.978436
"1414162"	181.761270666667	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H+2Na"	46.985712
"1444794"	545.310846	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H+HCOOH"	47.012746
"232665"	526.32034	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+3H2O+2H"	56.04448
"1517812"	559.36289	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+IsoProp+H"	61.06479
"417864"	529.274288	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+Na+K"	61.952376
"784334"	778.423338	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+Na+K"	61.952376
"1676290"	280.125238	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Na+K"	61.952376
"266840"	1060.611968	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+ACN+Na"	64.015768
"1241208"	562.313868	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+ACN+Na"	64.015768
"1728342"	562.337393	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+NH4+HCOOH"	64.039293
"1193994"	189.088584666667	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+3Na"	68.967654
"1664038"	567.292788	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Na+HCOOH"	68.994688
"172686"	1073.51524	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+2K-H"	76.91904
"612785"	1571.81334	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+2K-H"	76.91904
"1099470"	575.21714	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2K-H"	76.91904
"156158"	537.261258	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"2M+2K"	77.926316
"595478"	786.410308	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"3M+2K"	77.926316
"1081326"	288.112208	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2K"	77.926316
"1109067"	577.231692	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2K+H"	78.933592
"1348613"	577.319307	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+DMSO+H"	79.021207
"1013983"	581.358476	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2ACN+H"	83.060376
"1532106"	582.352108	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+IsoProp+Na+H"	84.054008
"1001837"	291.182876	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+2ACN+2H"	84.067652
"1597435"	583.266728	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+K+HCOOH"	84.968628
"1427469"	613.298238	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+H+CF3COOH"	115.000138
"1159942"	311.696151	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+3ACN+2H"	125.094202
"1710587"	630.324785	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+NH4+CF3COOH"	132.026685
"1642957"	635.28018	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+Na+CF3COOH"	136.98208
"1577514"	651.25412	"C08806"	"Cucurbitacin S"	"C30H42O6"	"498.2981"	"M+K+CF3COOH"	152.95602
"808973"	500.3138	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M"	0
"984694"	481.29541	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-H2O-H"	-19.01839
"69655"	332.535257333333	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M-3H"	-3.021828
"508127"	499.306524	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M-3H"	-3.021828
"889210"	165.763990666667	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-3H"	-3.021828
"13254"	499.306524	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M-2H"	-2.014552
"445163"	749.463424	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M-2H"	-2.014552
"826245"	249.149624	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-2H"	-2.014552
"88425"	999.620324	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M-H"	-1.007276
"531145"	1499.934124	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M-H"	-1.007276
"905785"	499.306524	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-H"	-1.007276
"55786"	1016.646871	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M-2H+NH4"	16.019271
"497535"	1516.960671	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M-2H+NH4"	16.019271
"867316"	516.333071	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-2H+NH4"	16.019271
"36674"	1021.602266	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M-2H+Na"	20.974666
"480612"	1521.916066	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M-2H+Na"	20.974666
"861332"	521.288466	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-2H+Na"	20.974666
"1633665"	521.288466	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Na-2H"	20.974666
"107762"	517.294863	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M-H+Cl"	33.962126
"548659"	767.451763	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M-H+Cl"	33.962126
"941933"	267.137963	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-H+Cl"	33.962126
"279393"	1035.597002	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+Cl"	34.969402
"674978"	1535.910802	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+Cl"	34.969402
"1286406"	535.283202	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Cl"	34.969402
"30665"	1037.576206	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M-2H+K"	36.948606
"468523"	1537.890006	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M-2H+K"	36.948606
"840857"	537.262406	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-2H+K"	36.948606
"1565440"	537.262406	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+K-2H"	36.948606
"953323"	545.311994	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-H+HCOOH"	44.998194
"367165"	1045.625801	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+HCOOH-H"	44.998201
"351049"	1059.641451	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+Hac-H"	59.013851
"1497696"	559.327651	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Hac-H"	59.013851
"964144"	567.293951	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-H+NaCOOH"	66.980151
"119614"	535.283202	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+2Cl"	69.938804
"560267"	785.440102	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+2Cl"	69.938804
"1029067"	285.126302	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2Cl"	69.938804
"1251926"	579.232685	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Br"	78.918885
"1313278"	581.288672	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Cl+HCOOH"	80.974872
"1329682"	603.270629	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Cl+NaCOOH"	102.956829
"925113"	613.299386	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M-H+CF3COOH"	112.985586
"1293072"	649.276064	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Cl+CF3COOH"	148.962264
"1375609"	465.301124	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H-2H2O"	-35.012676
"1394934"	483.3111	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H-H2O"	-17.0027
"295712"	1001.634876	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+H"	1.007276
"687405"	1501.948676	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+H"	1.007276
"1362661"	501.321076	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H"	1.007276
"134454"	501.321076	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+2H"	2.014552
"576203"	751.477976	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+2H"	2.014552
"1040268"	251.164176	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2H"	2.014552
"206708"	334.549809333333	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+3H"	3.021828
"645543"	501.321076	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+3H"	3.021828
"1168408"	167.778542666667	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+3H"	3.021828
"437147"	1018.661423	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+NH4"	18.033823
"793767"	1518.975223	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+NH4"	18.033823
"1693014"	518.347623	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+NH4"	18.033823
"340562"	509.8343495	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+H+NH4"	19.041099
"730796"	759.9912495	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+H+NH4"	19.041099
"1488992"	259.6774495	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H+NH4"	19.041099
"406578"	1023.616818	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+Na"	22.989218
"767574"	1523.930618	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+Na"	22.989218
"1606925"	523.303018	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Na"	22.989218
"319150"	512.312047	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+H+Na"	23.996494
"710113"	762.468947	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+H+Na"	23.996494
"1470859"	262.155147	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H+Na"	23.996494
"1059728"	175.105856666667	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2H+Na"	25.00377
"1261407"	533.347286	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+CH3OH+H"	33.033486
"385450"	1039.590758	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+K"	38.963158
"746446"	1539.904558	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+K"	38.963158
"1546313"	539.276958	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+K"	38.963158
"299970"	520.299017	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+H+K"	39.970434
"701389"	770.455917	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+H+K"	39.970434
"1450833"	270.142117	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H+K"	39.970434
"247089"	1042.661426	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+ACN+H"	42.033826
"1219802"	542.347626	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+ACN+H"	42.033826
"1203683"	271.677451	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+ACN+2H"	43.041102
"197646"	1045.59876	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+2Na-H"	44.97116
"634290"	1545.91256	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+2Na-H"	44.97116
"1142177"	545.28496	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2Na-H"	44.97116
"187546"	523.303018	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+2Na"	45.978436
"628031"	773.459918	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+2Na"	45.978436
"1128902"	273.146118	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2Na"	45.978436
"1413401"	182.433170666667	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H+2Na"	46.985712
"1442720"	547.326546	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H+HCOOH"	47.012746
"232775"	528.33604	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+3H2O+2H"	56.04448
"1521568"	561.37859	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+IsoProp+H"	61.06479
"416879"	531.289988	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+Na+K"	61.952376
"784082"	781.446888	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+Na+K"	61.952376
"1677129"	281.133088	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Na+K"	61.952376
"266099"	1064.643368	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+ACN+Na"	64.015768
"1241160"	564.329568	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+ACN+Na"	64.015768
"1728261"	564.353093	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+NH4+HCOOH"	64.039293
"1194089"	189.760484666667	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+3Na"	68.967654
"1664150"	569.308488	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Na+HCOOH"	68.994688
"171743"	1077.54664	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+2K-H"	76.91904
"610573"	1577.86044	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+2K-H"	76.91904
"1099899"	577.23284	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2K-H"	76.91904
"156515"	539.276958	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"2M+2K"	77.926316
"597089"	789.433858	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"3M+2K"	77.926316
"1081315"	289.120058	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2K"	77.926316
"1110271"	579.247392	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2K+H"	78.933592
"1349817"	579.335007	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+DMSO+H"	79.021207
"1015186"	583.374176	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2ACN+H"	83.060376
"1532216"	584.367808	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+IsoProp+Na+H"	84.054008
"1001947"	292.190726	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+2ACN+2H"	84.067652
"1596452"	585.282428	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+K+HCOOH"	84.968628
"1426486"	615.313938	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+H+CF3COOH"	115.000138
"1158959"	312.704001	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+3ACN+2H"	125.094202
"1709604"	632.340485	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+NH4+CF3COOH"	132.026685
"1643067"	637.29588	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+Na+CF3COOH"	136.98208
"1577624"	653.26982	"C08807"	"11-Deoxocucurbitacin I"	"C30H44O6"	"500.3138"	"M+K+CF3COOH"	152.95602
"804710"	472.3553	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M"	0
"983711"	453.33691	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-H2O-H"	-19.01839
"70858"	313.896257333333	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M-3H"	-3.021828
"508237"	471.348024	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M-3H"	-3.021828
"889320"	156.444490666667	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-3H"	-3.021828
"14823"	471.348024	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M-2H"	-2.014552
"445273"	707.525674	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M-2H"	-2.014552
"826355"	235.170374	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-2H"	-2.014552
"89629"	943.703324	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M-H"	-1.007276
"532351"	1416.058624	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M-H"	-1.007276
"904802"	471.348024	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-H"	-1.007276
"55896"	960.729871	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M-2H+NH4"	16.019271
"497645"	1433.085171	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M-2H+NH4"	16.019271
"867790"	488.374571	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-2H+NH4"	16.019271
"36419"	965.685266	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M-2H+Na"	20.974666
"481815"	1438.040566	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M-2H+Na"	20.974666
"858526"	493.329966	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-2H+Na"	20.974666
"1628789"	493.329966	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Na-2H"	20.974666
"102402"	489.336363	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M-H+Cl"	33.962126
"546705"	725.514013	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M-H+Cl"	33.962126
"939124"	253.158713	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-H+Cl"	33.962126
"277315"	979.680002	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+Cl"	34.969402
"673627"	1452.035302	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+Cl"	34.969402
"1286761"	507.324702	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Cl"	34.969402
"29072"	981.659206	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M-2H+K"	36.948606
"466446"	1454.014506	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M-2H+K"	36.948606
"837687"	509.303906	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-2H+K"	36.948606
"1563363"	509.303906	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+K-2H"	36.948606
"949058"	517.353494	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-H+HCOOH"	44.998194
"363995"	989.708801	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+HCOOH-H"	44.998201
"352252"	1003.724451	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+Hac-H"	59.013851
"1495619"	531.369151	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Hac-H"	59.013851
"962067"	539.335451	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-H+NaCOOH"	66.980151
"114257"	507.324702	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+2Cl"	69.938804
"556004"	743.502352	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+2Cl"	69.938804
"1026990"	271.147052	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2Cl"	69.938804
"1248755"	551.274185	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Br"	78.918885
"1313388"	553.330172	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Cl+HCOOH"	80.974872
"1329791"	575.312129	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Cl+NaCOOH"	102.956829
"921943"	585.340886	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M-H+CF3COOH"	112.985586
"1291360"	621.317564	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Cl+CF3COOH"	148.962264
"1378999"	437.342624	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H-2H2O"	-35.012676
"1385195"	455.3526	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H-H2O"	-17.0027
"295093"	945.717876	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+H"	1.007276
"685330"	1418.073176	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+H"	1.007276
"1362771"	473.362576	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H"	1.007276
"135658"	473.362576	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+2H"	2.014552
"576313"	709.540226	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+2H"	2.014552
"1038917"	237.184926	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2H"	2.014552
"206817"	315.910809333333	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+3H"	3.021828
"645284"	473.362576	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+3H"	3.021828
"1165233"	158.459042666667	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+3H"	3.021828
"427048"	962.744423	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+NH4"	18.033823
"789503"	1435.099723	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+NH4"	18.033823
"1686196"	490.389123	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+NH4"	18.033823
"336299"	481.8758495	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+H+NH4"	19.041099
"728718"	718.0534995	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+H+NH4"	19.041099
"1488007"	245.6981995	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H+NH4"	19.041099
"402312"	967.699818	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+Na"	22.989218
"762214"	1440.055118	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+Na"	22.989218
"1607033"	495.344518	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Na"	22.989218
"319260"	484.353547	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+H+Na"	23.996494
"710588"	720.531197	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+H+Na"	23.996494
"1467686"	248.175897	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H+Na"	23.996494
"1059838"	165.786356666667	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2H+Na"	25.00377
"1258232"	505.388786	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+CH3OH+H"	33.033486
"377540"	983.673758	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+K"	38.963158
"739751"	1456.029058	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+K"	38.963158
"1542049"	511.318458	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+K"	38.963158
"299958"	492.340517	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+H+K"	39.970434
"701499"	728.518167	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+H+K"	39.970434
"1452036"	256.162867	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H+K"	39.970434
"247199"	986.744426	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+ACN+H"	42.033826
"1220641"	514.389126	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+ACN+H"	42.033826
"1205616"	257.698201	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+ACN+2H"	43.041102
"197756"	989.68176	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+2Na-H"	44.97116
"635130"	1462.03706	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+2Na-H"	44.97116
"1143380"	517.32646	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2Na-H"	44.97116
"187049"	495.344518	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+2Na"	45.978436
"627332"	731.522168	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+2Na"	45.978436
"1129012"	259.166868	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2Na"	45.978436
"1413147"	173.113670666667	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H+2Na"	46.985712
"1442830"	519.368046	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H+HCOOH"	47.012746
"233249"	500.37754	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+3H2O+2H"	56.04448
"1521315"	533.42009	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+IsoProp+H"	61.06479
"416989"	503.331488	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+Na+K"	61.952376
"783829"	739.509138	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+Na+K"	61.952376
"1676511"	267.153838	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Na+K"	61.952376
"265966"	1008.726368	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+ACN+Na"	64.015768
"1240498"	536.371068	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+ACN+Na"	64.015768
"1727681"	536.394593	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+NH4+HCOOH"	64.039293
"1193279"	180.440984666667	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+3Na"	68.967654
"1664990"	541.349988	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Na+HCOOH"	68.994688
"172340"	1021.62964	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+2K-H"	76.91904
"611412"	1493.98494	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+2K-H"	76.91904
"1099859"	549.27434	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2K-H"	76.91904
"156868"	511.318458	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"2M+2K"	77.926316
"597032"	747.496108	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"3M+2K"	77.926316
"1081425"	275.140808	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2K"	77.926316
"1111474"	551.288892	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2K+H"	78.933592
"1348954"	551.376507	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+DMSO+H"	79.021207
"1015296"	555.415676	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2ACN+H"	83.060376
"1529046"	556.409308	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+IsoProp+Na+H"	84.054008
"999870"	278.211476	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+2ACN+2H"	84.067652
"1596562"	557.323928	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+K+HCOOH"	84.968628
"1426596"	587.355438	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+H+CF3COOH"	115.000138
"1159069"	298.724751	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+3ACN+2H"	125.094202
"1707527"	604.381985	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+NH4+CF3COOH"	132.026685
"1643177"	609.33738	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+Na+CF3COOH"	136.98208
"1577734"	625.31132	"C08808"	"Gratiogenin"	"C30H48O4"	"472.3553"	"M+K+CF3COOH"	152.95602
"804820"	716.3772	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M"	0
"987101"	697.35881	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-H2O-H"	-19.01839
"72061"	476.577524	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M-3H"	-3.021828
"505067"	715.369924	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M-3H"	-3.021828
"889430"	237.785124	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-3H"	-3.021828
"15580"	715.369924	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M-2H"	-2.014552
"444288"	1073.558524	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M-2H"	-2.014552
"823183"	357.181324	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-2H"	-2.014552
"87550"	1431.747124	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M-H"	-1.007276
"529297"	2148.124324	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M-H"	-1.007276
"903818"	715.369924	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-H"	-1.007276
"53817"	1448.773671	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M-2H+NH4"	16.019271
"497755"	2165.150871	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M-2H+NH4"	16.019271
"870087"	732.396471	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-2H+NH4"	16.019271
"37987"	1453.729066	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M-2H+Na"	20.974666
"484111"	2170.106266	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M-2H+Na"	20.974666
"859729"	737.351866	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-2H+Na"	20.974666
"1628170"	737.351866	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Na-2H"	20.974666
"102512"	733.358263	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M-H+Cl"	33.962126
"549570"	1091.546863	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M-H+Cl"	33.962126
"942273"	375.169663	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-H+Cl"	33.962126
"278519"	1467.723802	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+Cl"	34.969402
"674221"	2184.101002	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+Cl"	34.969402
"1283345"	751.346602	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Cl"	34.969402
"29184"	1469.703006	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M-2H+K"	36.948606
"465463"	2186.080206	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M-2H+K"	36.948606
"841077"	753.325806	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-2H+K"	36.948606
"1564565"	753.325806	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+K-2H"	36.948606
"952448"	761.375394	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-H+HCOOH"	44.998194
"362646"	1477.752601	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+HCOOH-H"	44.998201
"349082"	1491.768251	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+Hac-H"	59.013851
"1496822"	775.391051	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Hac-H"	59.013851
"960474"	783.357351	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-H+NaCOOH"	66.980151
"114366"	751.346602	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+2Cl"	69.938804
"555020"	1109.535202	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+2Cl"	69.938804
"1028193"	393.158002	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2Cl"	69.938804
"1249957"	795.296085	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Br"	78.918885
"1308031"	797.352072	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Cl+HCOOH"	80.974872
"1327713"	819.334029	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Cl+NaCOOH"	102.956829
"923512"	829.362786	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M-H+CF3COOH"	112.985586
"1290011"	865.339464	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Cl+CF3COOH"	148.962264
"1379109"	681.364524	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H-2H2O"	-35.012676
"1383482"	699.3745	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H-H2O"	-17.0027
"293016"	1433.761676	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+H"	1.007276
"683249"	2150.138876	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+H"	1.007276
"1359597"	717.384476	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H"	1.007276
"129933"	717.384476	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+2H"	2.014552
"572050"	1075.573076	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+2H"	2.014552
"1039024"	359.195876	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2H"	2.014552
"205833"	478.592076	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+3H"	3.021828
"646122"	717.384476	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+3H"	3.021828
"1164002"	239.799676	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+3H"	3.021828
"426062"	1450.788223	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+NH4"	18.033823
"788152"	2167.165423	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+NH4"	18.033823
"1682296"	734.411023	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+NH4"	18.033823
"333490"	725.8977495	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+H+NH4"	19.041099
"727734"	1084.0863495	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+H+NH4"	19.041099
"1482650"	367.7091495	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H+NH4"	19.041099
"398048"	1455.743618	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+Na"	22.989218
"763417"	2172.120818	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+Na"	22.989218
"1605684"	739.366418	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Na"	22.989218
"317183"	728.375447	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+H+Na"	23.996494
"711791"	1086.564047	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+H+Na"	23.996494
"1467796"	370.186847	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H+Na"	23.996494
"1061042"	247.12699	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2H+Na"	25.00377
"1257735"	749.410686	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+CH3OH+H"	33.033486
"378014"	1471.717558	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+K"	38.963158
"740833"	2188.094758	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+K"	38.963158
"1541187"	755.340358	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+K"	38.963158
"300069"	736.362417	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+H+K"	39.970434
"702702"	1094.551017	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+H+K"	39.970434
"1451053"	378.173817	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H+K"	39.970434
"245123"	1474.788226	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+ACN+H"	42.033826
"1220020"	758.411026	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+ACN+H"	42.033826
"1199529"	379.709151	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+ACN+2H"	43.041102
"196773"	1477.72556	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+2Na-H"	44.97116
"634147"	2194.10276	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+2Na-H"	44.97116
"1143854"	761.34836	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2Na-H"	44.97116
"188001"	739.366418	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+2Na"	45.978436
"627563"	1097.555018	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+2Na"	45.978436
"1129480"	381.177818	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2Na"	45.978436
"1413011"	254.454304	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H+2Na"	46.985712
"1444031"	763.389946	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H+HCOOH"	47.012746
"227161"	744.39944	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+3H2O+2H"	56.04448
"1519597"	777.44199	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+IsoProp+H"	61.06479
"410169"	747.353388	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+Na+K"	61.952376
"783208"	1105.541988	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+Na+K"	61.952376
"1678445"	389.164788	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Na+K"	61.952376
"266926"	1496.770168	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+ACN+Na"	64.015768
"1241092"	780.392968	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+ACN+Na"	64.015768
"1727670"	780.416493	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+NH4+HCOOH"	64.039293
"1192902"	261.781618	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+3Na"	68.967654
"1664982"	785.371888	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Na+HCOOH"	68.994688
"170141"	1509.67344	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+2K-H"	76.91904
"612378"	2226.05064	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+2K-H"	76.91904
"1099646"	793.29624	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2K-H"	76.91904
"156006"	755.340358	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"2M+2K"	77.926316
"597036"	1113.528958	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"3M+2K"	77.926316
"1082508"	397.151758	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2K"	77.926316
"1113530"	795.310792	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2K+H"	78.933592
"1348943"	795.398407	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+DMSO+H"	79.021207
"1013220"	799.437576	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2ACN+H"	83.060376
"1529156"	800.431208	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+IsoProp+Na+H"	84.054008
"998887"	400.222426	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+2ACN+2H"	84.067652
"1596672"	801.345828	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+K+HCOOH"	84.968628
"1427799"	831.377338	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+H+CF3COOH"	115.000138
"1159179"	420.735701	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+3ACN+2H"	125.094202
"1708730"	848.403885	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+NH4+CF3COOH"	132.026685
"1640007"	853.35928	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+Na+CF3COOH"	136.98208
"1577844"	869.33322	"C08809"	"Spinoside A"	"C39H56O12"	"716.3772"	"M+K+CF3COOH"	152.95602
"808210"	516.2723	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M"	0
"983931"	497.25391	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-H2O-H"	-19.01839
"71078"	343.174257333333	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M-3H"	-3.021828
"503231"	515.265024	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M-3H"	-3.021828
"889540"	171.083490666667	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-3H"	-3.021828
"13584"	515.265024	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M-2H"	-2.014552
"446585"	773.401174	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M-2H"	-2.014552
"822200"	257.128874	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-2H"	-2.014552
"87657"	1031.537324	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M-H"	-1.007276
"521752"	1547.809624	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M-H"	-1.007276
"901741"	515.265024	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-H"	-1.007276
"52834"	1048.563871	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M-2H+NH4"	16.019271
"497865"	1564.836171	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M-2H+NH4"	16.019271
"871291"	532.291571	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-2H+NH4"	16.019271
"35911"	1053.519266	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M-2H+Na"	20.974666
"479844"	1569.791566	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M-2H+Na"	20.974666
"858746"	537.246966	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-2H+Na"	20.974666
"1628280"	537.246966	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Na-2H"	20.974666
"102622"	533.253363	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M-H+Cl"	33.962126
"547650"	791.389513	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M-H+Cl"	33.962126
"940073"	275.117213	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-H+Cl"	33.962126
"276442"	1067.514002	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+Cl"	34.969402
"669958"	1583.786302	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+Cl"	34.969402
"1284548"	551.241702	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Cl"	34.969402
"30632"	1069.493206	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M-2H+K"	36.948606
"465573"	1585.765506	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M-2H+K"	36.948606
"843374"	553.220906	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-2H+K"	36.948606
"1560301"	553.220906	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+K-2H"	36.948606
"954746"	561.270494	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-H+HCOOH"	44.998194
"365308"	1077.542801	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+HCOOH-H"	44.998201
"347004"	1091.558451	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+Hac-H"	59.013851
"1498390"	575.286151	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Hac-H"	59.013851
"964837"	583.252451	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-H+NaCOOH"	66.980151
"113747"	551.241702	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+2Cl"	69.938804
"555130"	809.377852	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+2Cl"	69.938804
"1027210"	293.105552	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2Cl"	69.938804
"1251161"	595.191185	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Br"	78.918885
"1311421"	597.247172	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Cl+HCOOH"	80.974872
"1326730"	619.229129	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Cl+NaCOOH"	102.956829
"923257"	629.257886	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M-H+CF3COOH"	112.985586
"1290850"	665.234564	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Cl+CF3COOH"	148.962264
"1379219"	481.259624	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H-2H2O"	-35.012676
"1385051"	499.2696	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H-H2O"	-17.0027
"294219"	1033.551876	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+H"	1.007276
"683359"	1549.824176	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+H"	1.007276
"1359707"	517.279576	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H"	1.007276
"131501"	517.279576	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+2H"	2.014552
"573253"	775.415726	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+2H"	2.014552
"1038773"	259.143426	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2H"	2.014552
"212142"	345.188809333333	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+3H"	3.021828
"651702"	517.279576	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+3H"	3.021828
"1165815"	173.098042666667	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+3H"	3.021828
"426902"	1050.578423	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+NH4"	18.033823
"788991"	1566.850723	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+NH4"	18.033823
"1683862"	534.306123	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+NH4"	18.033823
"335422"	525.7928495	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+H+NH4"	19.041099
"727844"	783.9289995	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+H+NH4"	19.041099
"1482760"	267.6566995	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H+NH4"	19.041099
"397065"	1055.533818	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+Na"	22.989218
"762434"	1571.806118	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+Na"	22.989218
"1609440"	539.261518	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Na"	22.989218
"323853"	528.270547	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+H+Na"	23.996494
"712994"	786.406697	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+H+Na"	23.996494
"1467905"	270.134397	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H+Na"	23.996494
"1061152"	180.425356666667	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2H+Na"	25.00377
"1262830"	549.305786	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+CH3OH+H"	33.033486
"379219"	1071.507758	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+K"	38.963158
"739849"	1587.780058	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+K"	38.963158
"1542269"	555.235458	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+K"	38.963158
"302730"	536.257517	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+H+K"	39.970434
"703905"	794.393667	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+H+K"	39.970434
"1451163"	278.121367	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H+K"	39.970434
"245233"	1074.578426	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+ACN+H"	42.033826
"1221224"	558.306126	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+ACN+H"	42.033826
"1202919"	279.656701	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+ACN+2H"	43.041102
"199071"	1077.51576	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+2Na-H"	44.97116
"636443"	1593.78806	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+2Na-H"	44.97116
"1144328"	561.24346	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2Na-H"	44.97116
"182150"	539.261518	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+2Na"	45.978436
"627308"	797.397668	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+2Na"	45.978436
"1126311"	281.125368	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2Na"	45.978436
"1412754"	187.752670666667	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H+2Na"	46.985712
"1441952"	563.285046	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H+HCOOH"	47.012746
"231645"	544.29454	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+3H2O+2H"	56.04448
"1518614"	577.33709	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+IsoProp+H"	61.06479
"410279"	547.248488	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+Na+K"	61.952376
"783318"	805.384638	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+Na+K"	61.952376
"1678918"	289.112338	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Na+K"	61.952376
"266981"	1096.560368	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+ACN+Na"	64.015768
"1240997"	580.288068	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+ACN+Na"	64.015768
"1728145"	580.311593	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+NH4+HCOOH"	64.039293
"1194069"	195.079984666667	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+3Na"	68.967654
"1664969"	585.266988	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Na+HCOOH"	68.994688
"170251"	1109.46364	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+2K-H"	76.91904
"612567"	1625.73594	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+2K-H"	76.91904
"1099796"	593.19134	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2K-H"	76.91904
"156604"	555.235458	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"2M+2K"	77.926316
"596942"	813.371608	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"3M+2K"	77.926316
"1082860"	297.099308	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2K"	77.926316
"1113882"	595.205892	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2K+H"	78.933592
"1348081"	595.293507	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+DMSO+H"	79.021207
"1014423"	599.332676	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2ACN+H"	83.060376
"1529266"	600.326308	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+IsoProp+Na+H"	84.054008
"1000090"	300.169976	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+2ACN+2H"	84.067652
"1594595"	601.240928	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+K+HCOOH"	84.968628
"1425722"	631.272438	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+H+CF3COOH"	115.000138
"1159289"	320.683251	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+3ACN+2H"	125.094202
"1708840"	648.298985	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+NH4+CF3COOH"	132.026685
"1643397"	653.25438	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+Na+CF3COOH"	136.98208
"1577954"	669.22832	"C08810"	"Ajugalactone"	"C29H40O8"	"516.2723"	"M+K+CF3COOH"	152.95602
"805040"	480.3087	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M"	0
"981854"	461.29031	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-H2O-H"	-19.01839
"71188"	319.198524	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M-3H"	-3.021828
"506379"	479.301424	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M-3H"	-3.021828
"891836"	159.095624	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-3H"	-3.021828
"15273"	479.301424	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M-2H"	-2.014552
"452162"	719.455774	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M-2H"	-2.014552
"827777"	239.147074	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-2H"	-2.014552
"92140"	959.610124	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M-H"	-1.007276
"524049"	1439.918824	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M-H"	-1.007276
"901851"	479.301424	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-H"	-1.007276
"55131"	976.636671	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M-2H+NH4"	16.019271
"497975"	1456.945371	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M-2H+NH4"	16.019271
"870307"	496.327971	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-2H+NH4"	16.019271
"41487"	981.592066	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M-2H+Na"	20.974666
"482140"	1461.900766	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M-2H+Na"	20.974666
"859585"	501.283366	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-2H+Na"	20.974666
"1630577"	501.283366	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Na-2H"	20.974666
"105647"	497.289763	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M-H+Cl"	33.962126
"547396"	737.444113	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M-H+Cl"	33.962126
"941032"	257.135413	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-H+Cl"	33.962126
"275457"	995.586802	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+Cl"	34.969402
"672254"	1475.895502	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+Cl"	34.969402
"1284659"	515.278102	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Cl"	34.969402
"27215"	997.566006	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M-2H+K"	36.948606
"469694"	1477.874706	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M-2H+K"	36.948606
"840203"	517.257306	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-2H+K"	36.948606
"1560411"	517.257306	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+K-2H"	36.948606
"954854"	525.306894	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-H+HCOOH"	44.998194
"365418"	1005.615601	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+HCOOH-H"	44.998201
"348207"	1019.631251	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+Hac-H"	59.013851
"1501416"	539.322551	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Hac-H"	59.013851
"965676"	547.288851	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-H+NaCOOH"	66.980151
"112400"	515.278102	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+2Cl"	69.938804
"556333"	755.432452	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+2Cl"	69.938804
"1028414"	275.123752	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2Cl"	69.938804
"1252364"	559.227585	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Br"	78.918885
"1314811"	561.283572	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Cl+HCOOH"	80.974872
"1327933"	583.265529	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Cl+NaCOOH"	102.956829
"920088"	593.294286	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M-H+CF3COOH"	112.985586
"1291325"	629.270964	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Cl+CF3COOH"	148.962264
"1370581"	445.296024	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H-2H2O"	-35.012676
"1383338"	463.306	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H-H2O"	-17.0027
"294329"	961.624676	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+H"	1.007276
"683469"	1441.933376	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+H"	1.007276
"1359817"	481.315976	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H"	1.007276
"129789"	481.315976	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+2H"	2.014552
"574456"	721.470326	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+2H"	2.014552
"1039247"	241.161626	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2H"	2.014552
"210065"	321.213076	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+3H"	3.021828
"655092"	481.315976	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+3H"	3.021828
"1166655"	161.110176	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+3H"	3.021828
"428105"	978.651223	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+NH4"	18.033823
"788006"	1458.959923	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+NH4"	18.033823
"1683974"	498.342523	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+NH4"	18.033823
"334805"	489.8292495	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+H+NH4"	19.041099
"727224"	729.9835995	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+H+NH4"	19.041099
"1481411"	249.6748995	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H+NH4"	19.041099
"398268"	983.606618	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+Na"	22.989218
"761451"	1463.915318	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+Na"	22.989218
"1607364"	503.297918	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Na"	22.989218
"323963"	492.306947	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+H+Na"	23.996494
"712011"	732.461297	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+H+Na"	23.996494
"1465829"	252.152597	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H+Na"	23.996494
"1059076"	168.43749	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2H+Na"	25.00377
"1261847"	513.342186	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+CH3OH+H"	33.033486
"379329"	999.580558	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+K"	38.963158
"740323"	1479.889258	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+K"	38.963158
"1540920"	519.271858	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+K"	38.963158
"302841"	500.293917	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+H+K"	39.970434
"702922"	740.448267	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+H+K"	39.970434
"1451273"	260.139567	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H+K"	39.970434
"246437"	1002.651226	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+ACN+H"	42.033826
"1221333"	522.342526	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+ACN+H"	42.033826
"1203029"	261.674901	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+ACN+2H"	43.041102
"198088"	1005.58856	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+2Na-H"	44.97116
"639469"	1485.89726	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+2Na-H"	44.97116
"1143345"	525.27986	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2Na-H"	44.97116
"181167"	503.297918	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+2Na"	45.978436
"626688"	743.452268	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+2Na"	45.978436
"1127514"	263.143568	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2Na"	45.978436
"1408854"	175.764804	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H+2Na"	46.985712
"1443522"	527.321446	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H+HCOOH"	47.012746
"232848"	508.33094	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+3H2O+2H"	56.04448
"1520911"	541.37349	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+IsoProp+H"	61.06479
"411847"	511.284888	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+Na+K"	61.952376
"777228"	751.439238	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+Na+K"	61.952376
"1674651"	271.130538	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Na+K"	61.952376
"264100"	1024.633168	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+ACN+Na"	64.015768
"1240907"	544.324468	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+ACN+Na"	64.015768
"1728340"	544.347993	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+NH4+HCOOH"	64.039293
"1193734"	183.092118	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+3Na"	68.967654
"1665370"	549.303388	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Na+HCOOH"	68.994688
"172512"	1037.53644	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+2K-H"	76.91904
"612476"	1517.84514	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+2K-H"	76.91904
"1099864"	557.22774	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2K-H"	76.91904
"156957"	519.271858	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"2M+2K"	77.926316
"596998"	759.426208	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"3M+2K"	77.926316
"1082849"	279.117508	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2K"	77.926316
"1111805"	559.242292	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2K+H"	78.933592
"1348191"	559.329907	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+DMSO+H"	79.021207
"1016719"	563.369076	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2ACN+H"	83.060376
"1529376"	564.362708	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+IsoProp+Na+H"	84.054008
"1000200"	282.188176	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+2ACN+2H"	84.067652
"1594705"	565.277328	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+K+HCOOH"	84.968628
"1422551"	595.308838	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+H+CF3COOH"	115.000138
"1160128"	302.701451	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+3ACN+2H"	125.094202
"1708950"	612.335385	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+NH4+CF3COOH"	132.026685
"1640227"	617.29078	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+Na+CF3COOH"	136.98208
"1578064"	633.26472	"C08811"	"Ajugasterone C"	"C27H44O7"	"480.3087"	"M+K+CF3COOH"	152.95602
"805150"	398.3549	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M"	0
"984151"	379.33651	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"68018"	264.562657333333	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"508676"	397.347624	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"891947"	131.777690666667	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"15146"	397.347624	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"453366"	596.525074	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"827887"	198.170174	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"93678"	795.702524	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"533395"	1194.057424	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"910468"	397.347624	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"57428"	812.729071	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"493709"	1211.083971	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"872603"	414.374171	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"44877"	817.684466	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"484439"	1216.039366	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"861152"	419.329566	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1630322"	419.329566	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"106120"	415.335963	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"546775"	614.513413	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"940900"	216.158513	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"278847"	831.679202	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"669083"	1230.034102	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1281488"	433.324302	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"26232"	833.658406	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"462511"	1232.013306	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"838126"	435.303506	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1562707"	435.303506	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"944027"	443.353094	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"365528"	841.708001	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"353784"	855.723651	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1499339"	457.368751	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"965786"	465.335051	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"112874"	433.324302	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"557537"	632.501752	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1030711"	234.146852	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1250287"	477.273785	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1311641"	479.329772	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1326950"	501.311729	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"922384"	511.340486	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1293623"	547.317164	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1370691"	363.342224	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1387094"	381.3522	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"294439"	797.717076	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"685766"	1196.071976	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1359927"	399.362176	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H"	1.007276
"131722"	399.362176	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"576752"	598.539626	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1041909"	200.184726	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"214549"	266.577209333333	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"655202"	399.362176	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1167131"	133.792242666667	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"428215"	814.743623	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"788481"	1213.098523	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1684084"	416.388723	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"334185"	407.8754495	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"726606"	607.0528995	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1479333"	208.6979995	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"400564"	819.699018	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"757186"	1218.053918	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1607474"	421.344118	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"324073"	410.353147	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"714307"	609.530597	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1467032"	211.175697	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1059185"	141.119556666667	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1260864"	431.388386	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"379438"	835.672958	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"740432"	1234.027858	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1543583"	437.318058	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+K"	38.963158
"306232"	418.340117	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"703032"	617.517567	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1456851"	219.162667	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"246548"	838.743626	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1221444"	440.388726	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1208487"	220.698001	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"202334"	841.68096	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"642859"	1240.03586	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1142727"	443.32606	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"181277"	421.344118	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"627287"	620.521568	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1126896"	222.166668	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1410789"	148.446870666667	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1443997"	445.367646	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"230772"	426.37714	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1521022"	459.41969	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"415238"	429.331088	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"780616"	628.508538	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1673668"	230.153638	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"265184"	860.725568	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1241327"	462.370668	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1726901"	462.394193	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1194043"	155.774184666667	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1663969"	467.349588	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"172742"	873.62884	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"612628"	1271.98374	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1099155"	475.27394	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"156092"	437.318058	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"595532"	636.495508	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1083204"	238.140608	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1114102"	477.288492	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1350488"	477.376107	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1016829"	481.415276	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1529486"	482.408908	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"1000310"	241.211276	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1598095"	483.323528	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1425941"	513.355038	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1160602"	261.724551	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1709060"	530.381585	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1643617"	535.33698	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1578174"	551.31092	"C08813"	"Brassicasterol"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"805260"	480.3451	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M"	0
"984261"	461.32671	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-H2O-H"	-19.01839
"71408"	319.222790666667	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M-3H"	-3.021828
"509879"	479.337824	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M-3H"	-3.021828
"891693"	159.107757333333	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-3H"	-3.021828
"15648"	479.337824	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H"	-2.014552
"453476"	719.510374	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H"	-2.014552
"830184"	239.165274	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-2H"	-2.014552
"93948"	959.682924	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M-H"	-1.007276
"533502"	1440.028024	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M-H"	-1.007276
"910821"	479.337824	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-H"	-1.007276
"56445"	976.709471	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H+NH4"	16.019271
"494914"	1457.054571	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H+NH4"	16.019271
"872713"	496.364371	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-2H+NH4"	16.019271
"45716"	981.664866	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H+Na"	20.974666
"484548"	1462.009966	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H+Na"	20.974666
"860167"	501.319766	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-2H+Na"	20.974666
"1629703"	501.319766	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Na-2H"	20.974666
"105137"	497.326163	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M-H+Cl"	33.962126
"545792"	737.498713	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M-H+Cl"	33.962126
"940400"	257.153613	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-H+Cl"	33.962126
"274584"	995.659602	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+Cl"	34.969402
"662633"	1476.004702	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+Cl"	34.969402
"1279411"	515.314502	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl"	34.969402
"24155"	997.638806	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H+K"	36.948606
"463714"	1477.983906	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H+K"	36.948606
"837143"	517.293706	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-2H+K"	36.948606
"1560630"	517.293706	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+K-2H"	36.948606
"944137"	525.343294	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-H+HCOOH"	44.998194
"365638"	1005.688401	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+HCOOH-H"	44.998201
"349521"	1019.704051	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+Hac-H"	59.013851
"1501636"	539.358951	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Hac-H"	59.013851
"965896"	547.325251	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-H+NaCOOH"	66.980151
"113713"	515.314502	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+2Cl"	69.938804
"559834"	755.487052	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+2Cl"	69.938804
"1029728"	275.141952	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2Cl"	69.938804
"1251490"	559.263985	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Br"	78.918885
"1313938"	561.319972	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl+HCOOH"	80.974872
"1327060"	583.301929	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl+NaCOOH"	102.956829
"921401"	593.330686	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M-H+CF3COOH"	112.985586
"1292639"	629.307364	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl+CF3COOH"	148.962264
"1370801"	445.332424	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H-2H2O"	-35.012676
"1387204"	463.3424	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H-H2O"	-17.0027
"294549"	961.697476	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+H"	1.007276
"686970"	1442.042576	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+H"	1.007276
"1358944"	481.352376	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H"	1.007276
"131832"	481.352376	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+2H"	2.014552
"575769"	721.524926	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+2H"	2.014552
"1047851"	241.179826	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2H"	2.014552
"217212"	321.237342666667	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+3H"	3.021828
"655312"	481.352376	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+3H"	3.021828
"1171613"	161.122309333333	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+3H"	3.021828
"428325"	978.724023	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+NH4"	18.033823
"788227"	1459.069123	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+NH4"	18.033823
"1684194"	498.378923	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+NH4"	18.033823
"333201"	489.8656495	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+H+NH4"	19.041099
"725259"	730.0381995	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+H+NH4"	19.041099
"1479076"	249.6930995	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H+NH4"	19.041099
"400674"	983.679418	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+Na"	22.989218
"757660"	1464.024518	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+Na"	22.989218
"1606490"	503.334318	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Na"	22.989218
"320903"	492.343347	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+H+Na"	23.996494
"711138"	732.515897	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+H+Na"	23.996494
"1467143"	252.170797	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H+Na"	23.996494
"1058201"	168.449623333333	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2H+Na"	25.00377
"1262067"	513.378586	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+CH3OH+H"	33.033486
"379912"	999.653358	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+K"	38.963158
"740176"	1479.998458	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+K"	38.963158
"1541868"	519.308258	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+K"	38.963158
"309622"	500.330317	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+H+K"	39.970434
"704235"	740.502867	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+H+K"	39.970434
"1458054"	260.157767	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H+K"	39.970434
"248479"	1002.724026	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+ACN+H"	42.033826
"1223377"	522.378926	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+ACN+H"	42.033826
"1208595"	261.693101	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+ACN+2H"	43.041102
"202566"	1005.66136	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+2Na-H"	44.97116
"641875"	1486.00646	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+2Na-H"	44.97116
"1142837"	525.31626	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2Na-H"	44.97116
"182480"	503.334318	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+2Na"	45.978436
"627031"	743.506868	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+2Na"	45.978436
"1126277"	263.161768	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2Na"	45.978436
"1411991"	175.776937333333	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H+2Na"	46.985712
"1443741"	527.357846	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H+HCOOH"	47.012746
"231611"	508.36734	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+3H2O+2H"	56.04448
"1521133"	541.40989	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+IsoProp+H"	61.06479
"415348"	511.321288	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+Na+K"	61.952376
"776352"	751.493838	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+Na+K"	61.952376
"1670497"	271.148738	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Na+K"	61.952376
"265049"	1024.705968	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+ACN+Na"	64.015768
"1240557"	544.360868	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+ACN+Na"	64.015768
"1726769"	544.384393	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+NH4+HCOOH"	64.039293
"1192854"	183.104251333333	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+3Na"	68.967654
"1665298"	549.339788	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Na+HCOOH"	68.994688
"172608"	1037.60924	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+2K-H"	76.91904
"612695"	1517.95434	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+2K-H"	76.91904
"1098537"	557.26414	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2K-H"	76.91904
"154742"	519.308258	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"2M+2K"	77.926316
"596249"	759.480808	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"3M+2K"	77.926316
"1083315"	279.135708	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2K"	77.926316
"1113119"	559.278692	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2K+H"	78.933592
"1346222"	559.366307	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+DMSO+H"	79.021207
"1016939"	563.405476	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2ACN+H"	83.060376
"1529596"	564.399108	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+IsoProp+Na+H"	84.054008
"1000420"	282.206376	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+2ACN+2H"	84.067652
"1598205"	565.313728	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+K+HCOOH"	84.968628
"1426051"	595.345238	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+H+CF3COOH"	115.000138
"1161320"	302.719651	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+3ACN+2H"	125.094202
"1709170"	612.371785	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+NH4+CF3COOH"	132.026685
"1643727"	617.32718	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+Na+CF3COOH"	136.98208
"1578284"	633.30112	"C08814"	"Brassinolide"	"C28H48O6"	"480.3451"	"M+K+CF3COOH"	152.95602
"815944"	520.3036	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M"	0
"982185"	501.28521	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-H2O-H"	-19.01839
"68244"	345.861790666667	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M-3H"	-3.021828
"512178"	519.296324	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M-3H"	-3.021828
"887792"	172.427257333333	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-3H"	-3.021828
"13902"	519.296324	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M-2H"	-2.014552
"452491"	779.448124	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M-2H"	-2.014552
"832751"	259.144524	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-2H"	-2.014552
"94203"	1039.599924	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M-H"	-1.007276
"534222"	1559.903524	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M-H"	-1.007276
"905461"	519.296324	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-H"	-1.007276
"59837"	1056.626471	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M-2H+NH4"	16.019271
"498304"	1576.930071	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M-2H+NH4"	16.019271
"877197"	536.322871	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-2H+NH4"	16.019271
"45948"	1061.581866	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M-2H+Na"	20.974666
"485758"	1581.885466	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M-2H+Na"	20.974666
"856996"	541.278266	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-2H+Na"	20.974666
"1630907"	541.278266	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Na-2H"	20.974666
"108163"	537.284663	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M-H+Cl"	33.962126
"545902"	797.436463	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M-H+Cl"	33.962126
"929214"	277.132863	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-H+Cl"	33.962126
"276882"	1075.576602	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+Cl"	34.969402
"671489"	1595.880202	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+Cl"	34.969402
"1279518"	555.273002	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Cl"	34.969402
"25357"	1077.555806	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M-2H+K"	36.948606
"466011"	1597.859406	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M-2H+K"	36.948606
"841626"	557.252206	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-2H+K"	36.948606
"1560740"	557.252206	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+K-2H"	36.948606
"945710"	565.301794	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-H+HCOOH"	44.998194
"363926"	1085.605401	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+HCOOH-H"	44.998201
"350729"	1099.621051	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+Hac-H"	59.013851
"1499925"	579.317451	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Hac-H"	59.013851
"966010"	587.283751	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-H+NaCOOH"	66.980151
"113823"	555.273002	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+2Cl"	69.938804
"554478"	815.424802	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+2Cl"	69.938804
"1029837"	295.121202	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2Cl"	69.938804
"1246134"	599.222485	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Br"	78.918885
"1317329"	601.278472	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Cl+HCOOH"	80.974872
"1330452"	623.260429	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Cl+NaCOOH"	102.956829
"922604"	633.289186	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M-H+CF3COOH"	112.985586
"1293843"	669.265864	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Cl+CF3COOH"	148.962264
"1369817"	485.290924	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H-2H2O"	-35.012676
"1391692"	503.3009	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H-H2O"	-17.0027
"292470"	1041.614476	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+H"	1.007276
"684893"	1561.918076	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+H"	1.007276
"1363430"	521.310876	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H"	1.007276
"134131"	521.310876	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+2H"	2.014552
"575883"	781.462676	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+2H"	2.014552
"1049054"	261.159076	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2H"	2.014552
"211487"	347.876342666667	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+3H"	3.021828
"654328"	521.310876	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+3H"	3.021828
"1165529"	174.441809333333	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+3H"	3.021828
"430623"	1058.641023	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+NH4"	18.033823
"789432"	1578.944623	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+NH4"	18.033823
"1682117"	538.337423	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+NH4"	18.033823
"334771"	529.8241495	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+H+NH4"	19.041099
"724641"	789.9759495	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+H+NH4"	19.041099
"1479919"	269.6723495	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H+NH4"	19.041099
"394948"	1063.596418	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+Na"	22.989218
"757409"	1583.900018	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+Na"	22.989218
"1610978"	543.292818	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Na"	22.989218
"317733"	532.301847	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+H+Na"	23.996494
"709059"	792.453647	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+H+Na"	23.996494
"1462630"	272.150047	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H+Na"	23.996494
"1054297"	181.769123333333	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2H+Na"	25.00377
"1259256"	553.337086	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+CH3OH+H"	33.033486
"377342"	1079.570358	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+K"	38.963158
"741753"	1599.873958	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+K"	38.963158
"1550373"	559.266758	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+K"	38.963158
"307550"	540.288817	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+H+K"	39.970434
"704346"	800.440617	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+H+K"	39.970434
"1455981"	280.137017	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H+K"	39.970434
"243489"	1082.641026	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+ACN+H"	42.033826
"1223851"	562.337426	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+ACN+H"	42.033826
"1209316"	281.672351	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+ACN+2H"	43.041102
"198418"	1085.57836	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+2Na-H"	44.97116
"641264"	1605.88196	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+2Na-H"	44.97116
"1145865"	565.27476	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2Na-H"	44.97116
"185876"	543.292818	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+2Na"	45.978436
"627017"	803.444618	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+2Na"	45.978436
"1123473"	283.141018	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2Na"	45.978436
"1409185"	189.096437333333	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H+2Na"	46.985712
"1439112"	567.316346	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H+HCOOH"	47.012746
"230995"	548.32584	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+3H2O+2H"	56.04448
"1516868"	581.36839	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+IsoProp+H"	61.06479
"417656"	551.279788	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+Na+K"	61.952376
"776465"	811.431588	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+Na+K"	61.952376
"1677173"	291.127988	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Na+K"	61.952376
"265162"	1104.622968	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+ACN+Na"	64.015768
"1238960"	584.319368	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+ACN+Na"	64.015768
"1725294"	584.342893	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+NH4+HCOOH"	64.039293
"1193204"	196.423751333333	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+3Na"	68.967654
"1662730"	589.298288	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Na+HCOOH"	68.994688
"171412"	1117.52624	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+2K-H"	76.91904
"611946"	1637.82984	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+2K-H"	76.91904
"1098035"	597.22264	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2K-H"	76.91904
"152665"	559.266758	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"2M+2K"	77.926316
"590039"	819.418558	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"3M+2K"	77.926316
"1080018"	299.114958	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2K"	77.926316
"1112135"	599.237192	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2K+H"	78.933592
"1349612"	599.324807	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+DMSO+H"	79.021207
"1013768"	603.363976	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2ACN+H"	83.060376
"1530800"	604.357608	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+IsoProp+Na+H"	84.054008
"1001622"	302.185626	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+2ACN+2H"	84.067652
"1593938"	605.272228	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+K+HCOOH"	84.968628
"1428346"	635.303738	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+H+CF3COOH"	115.000138
"1158636"	322.698901	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+3ACN+2H"	125.094202
"1706000"	652.330285	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+NH4+CF3COOH"	132.026685
"1643838"	657.28568	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+Na+CF3COOH"	136.98208
"1584957"	673.25962	"C08816"	"Cyasterone"	"C29H44O8"	"520.3036"	"M+K+CF3COOH"	152.95602
"816054"	412.3705	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M"	0
"979015"	393.35211	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"68354"	273.906390666667	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"515568"	411.363224	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"888996"	136.449557333333	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"15474"	411.363224	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"455524"	617.548474	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"832313"	205.177974	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"94199"	823.733724	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"534013"	1236.104224	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"907758"	411.363224	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"57761"	840.760271	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"496227"	1253.130771	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"872934"	428.389771	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"44843"	845.715666	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"485502"	1258.086166	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"856012"	433.345166	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1631017"	433.345166	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"109574"	429.351563	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"548199"	635.536813	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"931145"	223.166313	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"278085"	859.710402	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"672328"	1272.080902	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1279628"	447.339902	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"19999"	861.689606	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"459921"	1274.060106	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"845015"	449.319106	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1557569"	449.319106	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"947279"	457.368694	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"367316"	869.739201	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"354119"	883.754851	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1500766"	471.384351	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"968307"	479.350651	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"119401"	447.339902	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"555681"	653.525152	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1026667"	241.154652	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1247337"	491.289385	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1318532"	493.345372	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1330561"	515.327329	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"924900"	525.356086	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1293953"	561.332764	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1370291"	377.357824	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1383534"	395.3678	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"285652"	825.748276	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"683909"	1238.118776	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1364633"	413.377776	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"134241"	413.377776	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"577085"	619.563026	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1049164"	207.192526	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"211597"	275.920942666667	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"653344"	413.377776	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1165274"	138.464109333333	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"430368"	842.774823	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"790271"	1255.145323	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1686604"	430.404323	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"333789"	421.8910495	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"724751"	628.0762995	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1479300"	215.7057995	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"393966"	847.730218	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"757519"	1260.100718	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1611089"	435.359718	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"315777"	424.368747	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"708073"	630.553997	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1462984"	218.183497	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1054164"	145.791423333333	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1257909"	445.403986	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"378180"	863.704158	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"742954"	1276.074658	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1548296"	451.333658	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"309847"	432.355717	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"704454"	638.540967	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1459004"	226.170467	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"249675"	866.774826	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1224326"	454.404326	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1207478"	227.705801	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"203958"	869.71216	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"643968"	1282.08266	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1146910"	457.34166	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"187808"	435.359718	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"627369"	641.544968	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1126863"	229.174468	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1410388"	153.118737333333	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1443595"	459.383246	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"232198"	440.39274	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1518072"	473.43529	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"420682"	443.346688	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"779855"	649.531938	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1676190"	237.161438	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"263446"	888.756768	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1238340"	476.386268	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1722123"	476.409793	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1191488"	160.446051333333	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1664055"	481.365188	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"171648"	901.66004	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"611449"	1314.03054	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1098025"	489.28954	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"156420"	451.333658	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"593427"	657.518908	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1077940"	245.148408	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1110056"	491.304092	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1350335"	491.391707	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1013878"	495.430876	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1530910"	496.424508	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"1001732"	248.219076	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1594048"	497.339128	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1427363"	527.370638	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1157653"	268.732351	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1706110"	544.397185	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1643948"	549.35258	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1585067"	565.32652	"C08817"	"Fucosterol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"814342"	480.3087	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M"	0
"978032"	461.29031	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-H2O-H"	-19.01839
"64087"	319.198524	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M-3H"	-3.021828
"506928"	479.301424	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M-3H"	-3.021828
"890199"	159.095624	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-3H"	-3.021828
"10963"	479.301424	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M-2H"	-2.014552
"455465"	719.455774	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M-2H"	-2.014552
"829420"	239.147074	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-2H"	-2.014552
"88320"	959.610124	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M-H"	-1.007276
"527880"	1439.918824	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M-H"	-1.007276
"902401"	479.301424	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-H"	-1.007276
"56776"	976.636671	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M-2H+NH4"	16.019271
"493057"	1456.945371	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M-2H+NH4"	16.019271
"876325"	496.327971	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-2H+NH4"	16.019271
"46177"	981.592066	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M-2H+Na"	20.974666
"485248"	1461.900766	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M-2H+Na"	20.974666
"861594"	501.283366	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-2H+Na"	20.974666
"1631127"	501.283366	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Na-2H"	20.974666
"106563"	497.289763	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M-H+Cl"	33.962126
"537374"	737.444113	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M-H+Cl"	33.962126
"931254"	257.135413	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-H+Cl"	33.962126
"272362"	995.586802	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+Cl"	34.969402
"669523"	1475.895502	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+Cl"	34.969402
"1279741"	515.278102	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Cl"	34.969402
"20110"	997.566006	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M-2H+K"	36.948606
"457483"	1477.874706	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M-2H+K"	36.948606
"838565"	517.257306	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-2H+K"	36.948606
"1558777"	517.257306	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+K-2H"	36.948606
"946295"	525.306894	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-H+HCOOH"	44.998194
"372169"	1005.615601	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+HCOOH-H"	44.998201
"350949"	1019.631251	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+Hac-H"	59.013851
"1500876"	539.322551	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Hac-H"	59.013851
"966231"	547.288851	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-H+NaCOOH"	66.980151
"117326"	515.278102	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+2Cl"	69.938804
"552143"	755.432452	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+2Cl"	69.938804
"1026776"	275.123752	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2Cl"	69.938804
"1244167"	559.227585	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Br"	78.918885
"1312081"	561.283572	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Cl+HCOOH"	80.974872
"1325203"	583.265529	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Cl+NaCOOH"	102.956829
"914075"	593.294286	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M-H+CF3COOH"	112.985586
"1290782"	629.270964	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Cl+CF3COOH"	148.962264
"1375507"	445.296024	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H-2H2O"	-35.012676
"1388630"	463.306	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H-H2O"	-17.0027
"286129"	961.624676	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+H"	1.007276
"685114"	1441.933376	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+H"	1.007276
"1363652"	481.315976	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H"	1.007276
"135448"	481.315976	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+2H"	2.014552
"577194"	721.470326	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+2H"	2.014552
"1050368"	241.161626	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2H"	2.014552
"217175"	321.213076	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+3H"	3.021828
"651267"	481.315976	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+3H"	3.021828
"1172675"	161.110176	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+3H"	3.021828
"431575"	978.651223	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+NH4"	18.033823
"790382"	1458.959923	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+NH4"	18.033823
"1684891"	498.342523	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+NH4"	18.033823
"333899"	489.8292495	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+H+NH4"	19.041099
"723404"	729.9835995	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+H+NH4"	19.041099
"1478316"	249.6748995	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H+NH4"	19.041099
"397728"	983.606618	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+Na"	22.989218
"764194"	1463.915318	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+Na"	22.989218
"1609012"	503.297918	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Na"	22.989218
"317953"	492.306947	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+H+Na"	23.996494
"709279"	732.461297	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+H+Na"	23.996494
"1462368"	252.152597	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H+Na"	23.996494
"1053180"	168.43749	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2H+Na"	25.00377
"1257658"	513.342186	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+CH3OH+H"	33.033486
"380978"	999.580558	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+K"	38.963158
"747447"	1479.889258	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+K"	38.963158
"1547314"	519.271858	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+K"	38.963158
"303395"	500.293917	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+H+K"	39.970434
"700190"	740.448267	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+H+K"	39.970434
"1452917"	260.139567	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H+K"	39.970434
"245893"	1002.651226	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+ACN+H"	42.033826
"1221884"	522.342526	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+ACN+H"	42.033826
"1203579"	261.674901	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+ACN+2H"	43.041102
"196453"	1005.58856	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+2Na-H"	44.97116
"637107"	1485.89726	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+2Na-H"	44.97116
"1146248"	525.27986	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2Na-H"	44.97116
"186460"	503.297918	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+2Na"	45.978436
"622375"	743.452268	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+2Na"	45.978436
"1123694"	263.143568	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2Na"	45.978436
"1410496"	175.764804	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H+2Na"	46.985712
"1433868"	527.321446	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H+HCOOH"	47.012746
"226842"	508.33094	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+3H2O+2H"	56.04448
"1516001"	541.37349	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+IsoProp+H"	61.06479
"421157"	511.284888	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+Na+K"	61.952376
"775592"	751.439238	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+Na+K"	61.952376
"1678486"	271.130538	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Na+K"	61.952376
"265016"	1024.633168	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+ACN+Na"	64.015768
"1239911"	544.324468	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+ACN+Na"	64.015768
"1726242"	544.347993	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+NH4+HCOOH"	64.039293
"1193053"	183.092118	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+3Na"	68.967654
"1664042"	549.303388	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Na+HCOOH"	68.994688
"171512"	1037.53644	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+2K-H"	76.91904
"611923"	1517.84514	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+2K-H"	76.91904
"1094972"	557.22774	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2K-H"	76.91904
"155071"	519.271858	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"2M+2K"	77.926316
"594631"	759.426208	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"3M+2K"	77.926316
"1079142"	279.117508	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2K"	77.926316
"1107976"	559.242292	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2K+H"	78.933592
"1342176"	559.329907	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+DMSO+H"	79.021207
"1012894"	563.369076	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2ACN+H"	83.060376
"1528102"	564.362708	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+IsoProp+Na+H"	84.054008
"994186"	282.188176	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+2ACN+2H"	84.067652
"1597438"	565.277328	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+K+HCOOH"	84.968628
"1422006"	595.308838	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+H+CF3COOH"	115.000138
"1152294"	302.701451	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+3ACN+2H"	125.094202
"1706219"	612.335385	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+NH4+CF3COOH"	132.026685
"1640776"	617.29078	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+Na+CF3COOH"	136.98208
"1573511"	633.26472	"C08819"	"Inokosterone"	"C27H44O7"	"480.3087"	"M+K+CF3COOH"	152.95602
"815181"	412.3705	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M"	0
"978142"	393.35211	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"64197"	273.906390666667	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"507038"	411.363224	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"887030"	136.449557333333	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"12167"	411.363224	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"452456"	617.548474	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"828435"	205.177974	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"90612"	823.733724	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"529081"	1236.104224	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"903603"	411.363224	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"59072"	840.760271	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"496446"	1253.130771	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"873155"	428.389771	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"46045"	845.715666	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"483900"	1258.086166	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"863162"	433.345166	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1630873"	433.345166	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"105579"	429.351563	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"539671"	635.536813	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"931001"	223.166313	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"273931"	859.710402	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"666353"	1272.080902	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1279851"	447.339902	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"20220"	861.689606	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"457593"	1274.060106	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"835394"	449.319106	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1559983"	449.319106	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"951146"	457.368694	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"371551"	869.739201	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"353246"	883.754851	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1504266"	471.384351	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"969621"	479.350651	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"119622"	447.339902	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"555900"	653.525152	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1029075"	241.154652	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1247559"	491.289385	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1312192"	493.345372	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1328594"	515.327329	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"917465"	525.356086	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1290892"	561.332764	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1374523"	377.357824	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1388739"	395.3678	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"289519"	825.748276	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"685224"	1238.118776	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1363762"	413.377776	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"135558"	413.377776	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"577305"	619.563026	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1048291"	207.192526	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"211819"	275.920942666667	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"650285"	413.377776	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1169506"	138.464109333333	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"434966"	842.774823	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"790493"	1255.145323	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1690105"	430.404323	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"338383"	421.8910495	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"727523"	628.0762995	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1478426"	215.7057995	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"398931"	847.730218	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"763210"	1260.100718	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1611308"	435.359718	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"320250"	424.368747	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"710483"	630.553997	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1467583"	218.183497	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1058641"	145.791423333333	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1258619"	445.403986	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"382182"	863.704158	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"745370"	1276.074658	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1546330"	451.333658	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"303504"	432.355717	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"700299"	638.540967	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1454118"	226.170467	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"242717"	866.774826	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1217615"	454.404326	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1202594"	227.705801	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"202641"	869.71216	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"640497"	1282.08266	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1141819"	457.34166	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"185112"	435.359718	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"621391"	641.544968	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1124896"	229.174468	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1406963"	153.118737333333	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1436529"	459.383246	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"227681"	440.39274	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1513920"	473.43529	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"415800"	443.346688	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"775702"	649.531938	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1673127"	237.161438	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"263665"	888.756768	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1238926"	476.386268	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1728016"	476.409793	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1194017"	160.446051333333	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1663058"	481.365188	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"171013"	901.66004	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"610572"	1314.03054	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1097269"	489.28954	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"152992"	451.333658	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"593646"	657.518908	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1081439"	245.148408	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1106994"	491.304092	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1340828"	491.391707	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1011180"	495.430876	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1526753"	496.424508	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"991499"	248.219076	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1597548"	497.339128	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1422116"	527.370638	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1152404"	268.732351	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1706329"	544.397185	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1640886"	549.35258	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1578724"	565.32652	"C08821"	"Isofucosterol;delta5-Avenasterol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"804719"	396.3392	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M"	0
"978252"	377.32081	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-H2O-H"	-19.01839
"64670"	263.218857333333	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M-3H"	-3.021828
"507148"	395.331924	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M-3H"	-3.021828
"882763"	131.105790666667	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-3H"	-3.021828
"14592"	395.331924	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M-2H"	-2.014552
"451837"	593.501524	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M-2H"	-2.014552
"826359"	197.162324	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-2H"	-2.014552
"90602"	791.671124	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M-H"	-1.007276
"531014"	1188.010324	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M-H"	-1.007276
"906993"	395.331924	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-H"	-1.007276
"59183"	808.697671	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M-2H+NH4"	16.019271
"501299"	1205.036871	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M-2H+NH4"	16.019271
"872172"	412.358471	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-2H+NH4"	16.019271
"45061"	813.653066	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M-2H+Na"	20.974666
"481824"	1209.992266	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M-2H+Na"	20.974666
"863884"	417.313866	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-2H+Na"	20.974666
"1631348"	417.313866	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Na-2H"	20.974666
"106784"	413.320263	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M-H+Cl"	33.962126
"537597"	611.489863	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M-H+Cl"	33.962126
"935486"	215.150663	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-H+Cl"	33.962126
"275136"	827.647802	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+Cl"	34.969402
"672902"	1223.987002	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+Cl"	34.969402
"1282149"	431.308602	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Cl"	34.969402
"21423"	829.627006	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M-2H+K"	36.948606
"456158"	1225.966206	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M-2H+K"	36.948606
"844258"	433.287806	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-2H+K"	36.948606
"1563374"	433.287806	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+K-2H"	36.948606
"951256"	441.337394	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-H+HCOOH"	44.998194
"374214"	837.676601	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+HCOOH-H"	44.998201
"358097"	851.692251	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+Hac-H"	59.013851
"1504378"	455.353051	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Hac-H"	59.013851
"969732"	463.319351	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-H+NaCOOH"	66.980151
"120826"	431.308602	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+2Cl"	69.938804
"559291"	629.478202	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+2Cl"	69.938804
"1029186"	233.139002	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2Cl"	69.938804
"1247670"	475.258085	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Br"	78.918885
"1306836"	477.314072	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Cl+HCOOH"	80.974872
"1329799"	499.296029	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Cl+NaCOOH"	102.956829
"917575"	509.324786	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M-H+CF3COOH"	112.985586
"1293191"	545.301464	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Cl+CF3COOH"	148.962264
"1373540"	361.326524	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H-2H2O"	-35.012676
"1385570"	379.3365	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H-H2O"	-17.0027
"285256"	793.685676	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+H"	1.007276
"680960"	1190.024876	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+H"	1.007276
"1357313"	397.346476	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H"	1.007276
"134940"	397.346476	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+2H"	2.014552
"574864"	595.516076	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+2H"	2.014552
"1045121"	199.176876	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2H"	2.014552
"216668"	265.233409333333	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+3H"	3.021828
"655499"	397.346476	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+3H"	3.021828
"1168522"	133.120342666667	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+3H"	3.021828
"431796"	810.712223	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+NH4"	18.033823
"790603"	1207.051423	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+NH4"	18.033823
"1686934"	414.373023	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+NH4"	18.033823
"339587"	405.8597495	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+H+NH4"	19.041099
"729821"	604.0293495	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+H+NH4"	19.041099
"1482547"	207.6901495	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H+NH4"	19.041099
"401229"	815.667618	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+Na"	22.989218
"765507"	1212.006818	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+Na"	22.989218
"1613606"	419.328418	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Na"	22.989218
"321455"	408.337447	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+H+Na"	23.996494
"714968"	606.507047	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+H+Na"	23.996494
"1464415"	210.167847	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H+Na"	23.996494
"1057660"	140.447656666667	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2H+Na"	25.00377
"1265178"	429.372686	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+CH3OH+H"	33.033486
"385938"	831.641558	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+K"	38.963158
"749490"	1227.980758	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+K"	38.963158
"1552637"	435.302358	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+K"	38.963158
"305802"	416.324417	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+H+K"	39.970434
"701868"	614.494017	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+H+K"	39.970434
"1456052"	218.154817	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H+K"	39.970434
"243922"	834.712226	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+ACN+H"	42.033826
"1217725"	438.373026	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+ACN+H"	42.033826
"1207815"	219.690151	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+ACN+2H"	43.041102
"202752"	837.64956	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+2Na-H"	44.97116
"642920"	1233.98876	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+2Na-H"	44.97116
"1143756"	441.31036	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2Na-H"	44.97116
"183402"	419.328418	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+2Na"	45.978436
"621501"	617.498018	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+2Na"	45.978436
"1126831"	221.158818	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2Na"	45.978436
"1409990"	147.774970666667	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H+2Na"	46.985712
"1441377"	443.351946	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H+HCOOH"	47.012746
"229978"	424.36144	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+3H2O+2H"	56.04448
"1511843"	457.40399	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+IsoProp+H"	61.06479
"416638"	427.315388	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+Na+K"	61.952376
"784441"	625.484988	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+Na+K"	61.952376
"1679444"	229.145788	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Na+K"	61.952376
"264504"	856.694168	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+ACN+Na"	64.015768
"1236849"	460.354968	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+ACN+Na"	64.015768
"1727315"	460.378493	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+NH4+HCOOH"	64.039293
"1193275"	155.102284666667	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+3Na"	68.967654
"1662075"	465.333888	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Na+HCOOH"	68.994688
"171122"	869.59744	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+2K-H"	76.91904
"610682"	1265.93664	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+2K-H"	76.91904
"1099082"	473.25824	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2K-H"	76.91904
"153102"	435.302358	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"2M+2K"	77.926316
"593757"	633.471958	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"3M+2K"	77.926316
"1081549"	237.132758	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2K"	77.926316
"1110385"	475.272792	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2K+H"	78.933592
"1338021"	475.360407	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+DMSO+H"	79.021207
"1009103"	479.399576	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2ACN+H"	83.060376
"1528322"	480.393208	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+IsoProp+Na+H"	84.054008
"994770"	240.203426	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+2ACN+2H"	84.067652
"1597660"	481.307828	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+K+HCOOH"	84.968628
"1425506"	511.339338	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+H+CF3COOH"	115.000138
"1155795"	260.716701	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+3ACN+2H"	125.094202
"1706439"	528.365885	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+NH4+CF3COOH"	132.026685
"1646464"	533.32128	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+Na+CF3COOH"	136.98208
"1585399"	549.29522	"C08823"	"Lichesterol"	"C28H44O"	"396.3392"	"M+K+CF3COOH"	152.95602
"805923"	400.3705	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M"	0
"978362"	381.35211	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"67696"	265.906390666667	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"511631"	399.363224	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"887247"	132.449557333333	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"10930"	399.363224	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"451946"	599.548474	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"823187"	199.177974	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"91926"	799.733724	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"531487"	1200.104224	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"908196"	399.363224	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"56011"	816.760271	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"498852"	1217.130771	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"872280"	416.389771	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"44198"	821.715666	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"480839"	1222.086166	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"861927"	421.345166	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1631459"	421.345166	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"104707"	417.351563	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"537707"	617.536813	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"933409"	217.166313	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"273059"	835.710402	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"669853"	1236.080902	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1280072"	435.339902	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"23720"	837.689606	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"457811"	1238.060106	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"842181"	437.319106	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1564578"	437.319106	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"952460"	445.368694	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"365576"	845.739201	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"350916"	859.754851	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1497562"	459.384351	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"962187"	467.350651	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"117656"	435.339902	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"555028"	635.525152	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1025286"	235.154652	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1244863"	479.289385	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1308039"	481.345372	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1328815"	503.327329	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"917685"	513.356086	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1292208"	549.332764	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1371461"	365.357824	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1386773"	383.3678	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"283129"	801.748276	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"683257"	1202.118776	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1355236"	401.377776	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"137601"	401.377776	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"577161"	601.563026	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1044138"	201.192526	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"212039"	267.920942666667	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"657432"	401.377776	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1171912"	134.464109333333	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"434092"	818.774823	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"791806"	1219.145323	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1687044"	418.404323	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"339696"	409.8910495	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"729931"	610.0762995	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1481563"	209.7057995	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"398058"	823.730218	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"765617"	1224.100718	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1613716"	423.359718	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"324845"	412.368747	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"712891"	612.553997	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1465617"	212.183497	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1056677"	141.791423333333	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1266016"	433.403986	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"384589"	839.704158	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"746684"	1240.074658	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1549831"	439.333658	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"307005"	420.355717	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"701978"	620.540967	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1453245"	220.170467	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"241846"	842.774826	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1215649"	442.404326	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1205371"	221.705801	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"202982"	845.71216	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"643842"	1246.08266	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1144961"	445.34166	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"186427"	423.359718	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"626718"	623.544968	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1128401"	223.174468	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1411924"	149.118737333333	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1440393"	447.383246	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"232640"	428.39274	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1519245"	461.43529	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"421851"	431.346688	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"782486"	631.531938	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1677730"	231.161438	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"263520"	864.756768	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1234772"	464.386268	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1725479"	464.409793	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1192655"	156.446051333333	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1658904"	469.365188	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"169047"	877.66004	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"609699"	1278.03054	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1098953"	477.28954	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"153211"	439.333658	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"593866"	639.518908	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1076191"	239.148408	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1110495"	479.304092	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1338132"	479.391707	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1011035"	483.430876	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1529161"	484.424508	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"994516"	242.219076	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1599957"	485.339128	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1425616"	515.370638	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1155905"	262.732351	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1706549"	532.397185	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1646574"	537.35258	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1585509"	553.32652	"C08825"	"Lophenol;4-Methylcholest-7-en-3-ol;4alpha-Methyl-5alpha-cholest-7-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"806034"	494.3244	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M"	0
"977379"	475.30601	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-H2O-H"	-19.01839
"64527"	328.542324	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M-3H"	-3.021828
"507368"	493.317124	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M-3H"	-3.021828
"891736"	163.767524	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-3H"	-3.021828
"11405"	493.317124	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M-2H"	-2.014552
"448775"	740.479324	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M-2H"	-2.014552
"825482"	246.154924	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-2H"	-2.014552
"89849"	987.641524	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M-H"	-1.007276
"529410"	1481.965924	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M-H"	-1.007276
"902840"	493.317124	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-H"	-1.007276
"57216"	1004.668071	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M-2H+NH4"	16.019271
"492407"	1498.992471	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M-2H+NH4"	16.019271
"869115"	510.343671	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-2H+NH4"	16.019271
"43579"	1009.623466	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M-2H+Na"	20.974666
"486420"	1503.947866	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M-2H+Na"	20.974666
"858754"	515.299066	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-2H+Na"	20.974666
"1619299"	515.299066	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Na-2H"	20.974666
"97165"	511.305463	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M-H+Cl"	33.962126
"541099"	758.467663	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M-H+Cl"	33.962126
"931333"	264.143263	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-H+Cl"	33.962126
"280459"	1023.618202	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+Cl"	34.969402
"669965"	1517.942602	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+Cl"	34.969402
"1283462"	529.293802	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Cl"	34.969402
"20552"	1025.597406	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M-2H+K"	36.948606
"467770"	1519.921806	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M-2H+K"	36.948606
"839012"	531.273006	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-2H+K"	36.948606
"1565781"	531.273006	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+K-2H"	36.948606
"952573"	539.322594	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-H+HCOOH"	44.998194
"366780"	1033.647001	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+HCOOH-H"	44.998201
"351756"	1047.662651	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+Hac-H"	59.013851
"1499132"	553.338251	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Hac-H"	59.013851
"968859"	561.304551	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-H+NaCOOH"	66.980151
"115943"	529.293802	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+2Cl"	69.938804
"550642"	776.456002	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+2Cl"	69.938804
"1027583"	282.131602	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2Cl"	69.938804
"1246797"	573.243285	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Br"	78.918885
"1311429"	575.299272	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Cl+HCOOH"	80.974872
"1324915"	597.281229	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Cl+NaCOOH"	102.956829
"916704"	607.309986	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M-H+CF3COOH"	112.985586
"1291589"	643.286664	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Cl+CF3COOH"	148.962264
"1370116"	459.311724	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H-2H2O"	-35.012676
"1386154"	477.3217	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H-H2O"	-17.0027
"293865"	989.656076	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+H"	1.007276
"678996"	1483.980476	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+H"	1.007276
"1357533"	495.331676	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H"	1.007276
"133701"	495.331676	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+2H"	2.014552
"576908"	742.493876	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+2H"	2.014552
"1043153"	248.169476	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2H"	2.014552
"213241"	330.556876	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+3H"	3.021828
"656084"	495.331676	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+3H"	3.021828
"1172753"	165.782076	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+3H"	3.021828
"432014"	1006.682623	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+NH4"	18.033823
"790823"	1501.007023	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+NH4"	18.033823
"1685330"	512.358223	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+NH4"	18.033823
"340900"	503.8449495	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+H+NH4"	19.041099
"726761"	751.0071495	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+H+NH4"	19.041099
"1491522"	256.6827495	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H+NH4"	19.041099
"407288"	1011.638018	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+Na"	22.989218
"768282"	1505.962418	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+Na"	22.989218
"1614920"	517.313618	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Na"	22.989218
"324955"	506.322647	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+H+Na"	23.996494
"710814"	753.484847	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+H+Na"	23.996494
"1470105"	259.160447	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H+Na"	23.996494
"1058982"	173.10939	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2H+Na"	25.00377
"1262846"	527.357886	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+CH3OH+H"	33.033486
"386890"	1027.611958	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+K"	38.963158
"745702"	1521.936358	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+K"	38.963158
"1546661"	533.287558	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+K"	38.963158
"309302"	514.309617	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+H+K"	39.970434
"702816"	761.471817	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+H+K"	39.970434
"1453355"	267.147417	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H+K"	39.970434
"238676"	1030.682626	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+ACN+H"	42.033826
"1222327"	536.358226	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+ACN+H"	42.033826
"1207307"	268.682751	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+ACN+2H"	43.041102
"201631"	1033.61996	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+2Na-H"	44.97116
"639739"	1527.94436	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+2Na-H"	44.97116
"1141788"	539.29556	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2Na-H"	44.97116
"186171"	517.313618	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+2Na"	45.978436
"620625"	764.475818	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+2Na"	45.978436
"1128872"	270.151418	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2Na"	45.978436
"1412764"	180.436704	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H+2Na"	46.985712
"1440867"	541.337146	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H+HCOOH"	47.012746
"227285"	522.34664	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+3H2O+2H"	56.04448
"1520818"	555.38919	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+IsoProp+H"	61.06479
"422335"	525.300588	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+Na+K"	61.952376
"779322"	772.462788	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+Na+K"	61.952376
"1676746"	278.138388	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Na+K"	61.952376
"264360"	1052.664568	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+ACN+Na"	64.015768
"1238525"	558.340168	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+ACN+Na"	64.015768
"1725589"	558.363693	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+NH4+HCOOH"	64.039293
"1186935"	187.764018	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+3Na"	68.967654
"1662295"	563.319088	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Na+HCOOH"	68.994688
"169157"	1065.56784	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+2K-H"	76.91904
"608716"	1559.89224	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+2K-H"	76.91904
"1095413"	571.24344	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2K-H"	76.91904
"147855"	533.287558	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"2M+2K"	77.926316
"587416"	780.449758	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"3M+2K"	77.926316
"1076301"	286.125358	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2K"	77.926316
"1110607"	573.257992	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2K+H"	78.933592
"1338972"	573.345607	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+DMSO+H"	79.021207
"1011147"	577.384776	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2ACN+H"	83.060376
"1529271"	578.378408	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+IsoProp+Na+H"	84.054008
"1002288"	289.196026	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+2ACN+2H"	84.067652
"1602138"	579.293028	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+K+HCOOH"	84.968628
"1427915"	609.324538	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+H+CF3COOH"	115.000138
"1156015"	309.709301	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+3ACN+2H"	125.094202
"1709941"	626.351085	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+NH4+CF3COOH"	132.026685
"1649242"	631.30648	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+Na+CF3COOH"	136.98208
"1585620"	647.28042	"C08829"	"Makisterone B"	"C28H46O7"	"494.3244"	"M+K+CF3COOH"	152.95602
"806144"	440.4018	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M"	0
"977486"	421.38341	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-H2O-H"	-19.01839
"65730"	292.593924	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M-3H"	-3.021828
"506385"	439.394524	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M-3H"	-3.021828
"881635"	145.793324	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-3H"	-3.021828
"11513"	439.394524	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M-2H"	-2.014552
"448885"	659.595424	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M-2H"	-2.014552
"825592"	219.193624	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-2H"	-2.014552
"88865"	879.796324	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M-H"	-1.007276
"529520"	1320.198124	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M-H"	-1.007276
"906230"	439.394524	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-H"	-1.007276
"60485"	896.822871	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M-2H+NH4"	16.019271
"491423"	1337.224671	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M-2H+NH4"	16.019271
"868132"	456.421071	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-2H+NH4"	16.019271
"43689"	901.778266	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M-2H+Na"	20.974666
"484709"	1342.180066	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M-2H+Na"	20.974666
"858864"	461.376466	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-2H+Na"	20.974666
"1629493"	461.376466	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Na-2H"	20.974666
"96182"	457.382863	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M-H+Cl"	33.962126
"544489"	677.583763	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M-H+Cl"	33.962126
"939095"	237.181963	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-H+Cl"	33.962126
"281297"	915.773002	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+Cl"	34.969402
"673720"	1356.174802	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+Cl"	34.969402
"1286850"	475.371202	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Cl"	34.969402
"23942"	917.752206	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M-2H+K"	36.948606
"462414"	1358.154006	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M-2H+K"	36.948606
"833410"	477.350406	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-2H+K"	36.948606
"1560423"	477.350406	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+K-2H"	36.948606
"954869"	485.399994	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-H+HCOOH"	44.998194
"363244"	925.801801	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+HCOOH-H"	44.998201
"353689"	939.817451	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+Hac-H"	59.013851
"1501062"	499.415651	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Hac-H"	59.013851
"970061"	507.381951	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-H+NaCOOH"	66.980151
"116053"	475.371202	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+2Cl"	69.938804
"553426"	695.572102	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+2Cl"	69.938804
"1030609"	255.170302	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2Cl"	69.938804
"1248000"	519.320685	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Br"	78.918885
"1315914"	521.376672	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Cl+HCOOH"	80.974872
"1331223"	543.358629	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Cl+NaCOOH"	102.956829
"919001"	553.387386	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M-H+CF3COOH"	112.985586
"1293886"	589.364064	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Cl+CF3COOH"	148.962264
"1373872"	405.389124	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H-2H2O"	-35.012676
"1388451"	423.3991	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H-H2O"	-17.0027
"294704"	881.810876	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+H"	1.007276
"682388"	1322.212676	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+H"	1.007276
"1355456"	441.409076	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H"	1.007276
"128709"	441.409076	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+2H"	2.014552
"573372"	661.609976	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+2H"	2.014552
"1048733"	221.208176	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2H"	2.014552
"213351"	294.608476	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+3H"	3.021828
"654371"	441.409076	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+3H"	3.021828
"1170676"	147.807876	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+3H"	3.021828
"431030"	898.837423	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+NH4"	18.033823
"792025"	1339.239223	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+NH4"	18.033823
"1684346"	458.435623	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+NH4"	18.033823
"339917"	449.9223495	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+H+NH4"	19.041099
"725778"	670.1232495	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+H+NH4"	19.041099
"1491632"	229.7214495	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H+NH4"	19.041099
"406667"	903.792818	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+Na"	22.989218
"766571"	1344.194618	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+Na"	22.989218
"1617218"	463.391018	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Na"	22.989218
"326159"	452.400047	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+H+Na"	23.996494
"716392"	672.600947	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+H+Na"	23.996494
"1470215"	232.199147	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H+Na"	23.996494
"1055810"	155.13519	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2H+Na"	25.00377
"1266236"	473.435286	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+CH3OH+H"	33.033486
"380439"	919.766758	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+K"	38.963158
"741438"	1360.168558	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+K"	38.963158
"1542032"	479.364958	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+K"	38.963158
"303945"	460.387017	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+H+K"	39.970434
"698552"	680.587917	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+H+K"	39.970434
"1453465"	240.186117	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H+K"	39.970434
"239879"	922.837426	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+ACN+H"	42.033826
"1223167"	482.435626	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+ACN+H"	42.033826
"1205230"	241.721451	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+ACN+2H"	43.041102
"201012"	925.77476	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+2Na-H"	44.97116
"636567"	1366.17656	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+2Na-H"	44.97116
"1142262"	485.37296	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2Na-H"	44.97116
"183728"	463.391018	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+2Na"	45.978436
"617455"	683.591918	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+2Na"	45.978436
"1125335"	243.190118	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2Na"	45.978436
"1409224"	162.462504	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H+2Na"	46.985712
"1434417"	487.414546	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H+HCOOH"	47.012746
"228488"	468.42404	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+3H2O+2H"	56.04448
"1518741"	501.46659	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+IsoProp+H"	61.06479
"423053"	471.377988	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+Na+K"	61.952376
"779432"	691.578888	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+Na+K"	61.952376
"1677949"	251.177088	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Na+K"	61.952376
"263740"	944.819368	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+ACN+Na"	64.015768
"1236812"	504.417568	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+ACN+Na"	64.015768
"1724605"	504.441093	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+NH4+HCOOH"	64.039293
"1184857"	169.789818	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+3Na"	68.967654
"1664225"	509.396488	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Na+HCOOH"	68.994688
"172181"	957.72264	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+2K-H"	76.91904
"612351"	1398.12444	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+2K-H"	76.91904
"1092242"	517.32084	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2K-H"	76.91904
"147964"	479.364958	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"2M+2K"	77.926316
"588617"	699.565858	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"3M+2K"	77.926316
"1075317"	259.164058	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2K"	77.926316
"1110717"	519.335392	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2K+H"	78.933592
"1341633"	519.423007	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+DMSO+H"	79.021207
"1011256"	523.462176	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2ACN+H"	83.060376
"1529381"	524.455808	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+IsoProp+Na+H"	84.054008
"1004948"	262.234726	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+2ACN+2H"	84.067652
"1600910"	525.370428	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+K+HCOOH"	84.968628
"1428025"	555.401938	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+H+CF3COOH"	115.000138
"1155031"	282.748001	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+3ACN+2H"	125.094202
"1706771"	572.428485	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+NH4+CF3COOH"	132.026685
"1648988"	577.38388	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+Na+CF3COOH"	136.98208
"1585730"	593.35782	"C08830"	"24-Methylenecycloartanol;919-Cyclolanostan-3-o1 24-methylene- (3beta)-"	"C31H52O"	"440.4018"	"M+K+CF3COOH"	152.95602
"806254"	358.1416	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M"	0
"980878"	339.12321	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"64746"	237.753790666667	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"506495"	357.134324	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"881745"	118.373257333333	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"7247"	357.134324	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"451181"	536.205124	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"822422"	178.063524	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"88975"	715.275924	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"531817"	1073.417524	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"906341"	357.134324	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"57436"	732.302471	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"492626"	1090.444071	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"868242"	374.160871	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"36144"	737.257866	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"484454"	1095.399466	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"862258"	379.116266	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1630695"	379.116266	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"98479"	375.122663	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"542412"	554.193463	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"938112"	196.051863	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"276668"	751.252602	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"671278"	1109.394202	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1283680"	393.111002	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"26239"	753.231806	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"469084"	1111.373406	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"835952"	395.090206	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1562720"	395.090206	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"950604"	403.139794	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"371009"	761.281401	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"351612"	775.297051	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1503724"	417.155451	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"972357"	425.121751	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"115070"	393.111002	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"558639"	572.181802	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1030719"	214.040202	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1253578"	437.060485	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1316024"	439.116472	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1331333"	461.098429	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"919111"	471.127186	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1295818"	507.103864	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1371796"	323.128924	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1389291"	341.1389	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"295543"	717.290476	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"685778"	1075.432076	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1361034"	359.148876	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"136109"	359.148876	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"578587"	538.219676	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1048479"	180.078076	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"217108"	239.768342666667	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"656304"	359.148876	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1173335"	120.387809333333	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"431140"	734.317023	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"792134"	1092.458623	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1685188"	376.175423	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"338934"	367.6621495	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"726980"	546.7329495	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1492106"	188.5913495	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"406417"	739.272418	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"767412"	1097.414018	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1617090"	381.130818	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"325907"	370.139847	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"718326"	549.210647	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1468139"	191.069047	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1054827"	127.715123333333	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1261972"	391.175086	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"378605"	755.246358	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"742642"	1113.387958	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1544694"	397.104758	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"304055"	378.126817	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"696476"	557.197617	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1450294"	199.056017	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"238897"	758.317026	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1223156"	400.175426	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1206433"	200.591351	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"202220"	761.25436	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"637770"	1119.39596	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1140183"	403.11276	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"183473"	381.130818	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"621939"	560.201618	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1125447"	202.060018	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1410431"	135.042437333333	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1436714"	405.154346	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"227506"	386.16384	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1520675"	419.20639	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"423771"	389.117788	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"781730"	568.188588	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1675873"	210.046988	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"260205"	780.298968	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1238016"	422.157368	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1723622"	422.180893	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1182780"	142.369751333333	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1663607"	427.136288	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"170467"	793.20224	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"611730"	1151.34384	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1092352"	435.06064	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"148074"	397.104758	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"588727"	576.175558	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1075427"	218.033958	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1110827"	437.075192	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1340650"	437.162807	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1009179"	441.201976	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1530584"	442.195608	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"1003238"	221.104626	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1601020"	443.110228	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1425947"	473.141738	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1155141"	241.617901	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1712227"	490.168285	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1641442"	495.12368	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1585840"	511.09762	"C08831"	"Miroestrol"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"806364"	462.2981	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M"	0
"975884"	443.27971	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-H2O-H"	-19.01839
"63519"	307.191457333333	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M-3H"	-3.021828
"506605"	461.290824	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M-3H"	-3.021828
"880639"	153.092090666667	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-3H"	-3.021828
"7357"	461.290824	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M-2H"	-2.014552
"449104"	692.439874	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M-2H"	-2.014552
"823625"	230.141774	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-2H"	-2.014552
"87992"	923.588924	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M-H"	-1.007276
"527555"	1385.887024	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M-H"	-1.007276
"905356"	461.290824	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-H"	-1.007276
"58639"	940.615471	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M-2H+NH4"	16.019271
"489457"	1402.913571	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M-2H+NH4"	16.019271
"866166"	478.317371	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-2H+NH4"	16.019271
"39534"	945.570866	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M-2H+Na"	20.974666
"483107"	1407.868966	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M-2H+Na"	20.974666
"860546"	483.272766	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-2H+Na"	20.974666
"1630805"	483.272766	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Na-2H"	20.974666
"101869"	479.279163	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M-H+Cl"	33.962126
"545803"	710.428213	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M-H+Cl"	33.962126
"941138"	248.130113	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-H+Cl"	33.962126
"278965"	959.565602	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+Cl"	34.969402
"671388"	1421.863702	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+Cl"	34.969402
"1283790"	497.267502	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Cl"	34.969402
"21975"	961.544806	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M-2H+K"	36.948606
"467007"	1423.842906	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M-2H+K"	36.948606
"839342"	499.246706	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-2H+K"	36.948606
"1562830"	499.246706	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+K-2H"	36.948606
"950714"	507.296294	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-H+HCOOH"	44.998194
"368930"	969.594401	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+HCOOH-H"	44.998201
"348805"	983.610051	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+Hac-H"	59.013851
"1495085"	521.311951	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Hac-H"	59.013851
"965906"	529.278251	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-H+NaCOOH"	66.980151
"124654"	497.267502	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+2Cl"	69.938804
"564214"	728.416552	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+2Cl"	69.938804
"1034108"	266.118452	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2Cl"	69.938804
"1251499"	541.216985	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Br"	78.918885
"1311759"	543.272972	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Cl+HCOOH"	80.974872
"1327067"	565.254929	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Cl+NaCOOH"	102.956829
"915937"	575.283686	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M-H+CF3COOH"	112.985586
"1294832"	611.260364	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Cl+CF3COOH"	148.962264
"1370813"	427.285424	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H-2H2O"	-35.012676
"1387215"	445.2954	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H-H2O"	-17.0027
"296381"	925.603476	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+H"	1.007276
"684795"	1387.901576	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+H"	1.007276
"1361144"	463.305376	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H"	1.007276
"138043"	463.305376	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+2H"	2.014552
"577237"	694.454426	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+2H"	2.014552
"1048224"	232.156326	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2H"	2.014552
"217583"	309.206009333333	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+3H"	3.021828
"656779"	463.305376	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+3H"	3.021828
"1172351"	155.106642666667	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+3H"	3.021828
"433436"	942.630023	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+NH4"	18.033823
"791151"	1404.928123	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+NH4"	18.033823
"1685662"	480.331923	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+NH4"	18.033823
"336858"	471.8186495	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+H+NH4"	19.041099
"728183"	702.9676995	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+H+NH4"	19.041099
"1491487"	240.6695995	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H+NH4"	19.041099
"407744"	947.585418	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+Na"	22.989218
"767402"	1409.883518	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+Na"	22.989218
"1617567"	485.287318	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Na"	22.989218
"326381"	474.296347	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+H+Na"	23.996494
"715518"	705.445397	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+H+Na"	23.996494
"1467155"	243.147297	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H+Na"	23.996494
"1057126"	162.433956666667	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2H+Na"	25.00377
"1262083"	495.331586	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+CH3OH+H"	33.033486
"381753"	963.559358	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+K"	38.963158
"742752"	1425.857458	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+K"	38.963158
"1544804"	501.261258	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+K"	38.963158
"306352"	482.283317	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+H+K"	39.970434
"698773"	713.432367	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+H+K"	39.970434
"1451499"	251.134267	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H+K"	39.970434
"240100"	966.630026	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+ACN+H"	42.033826
"1223752"	504.331926	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+ACN+H"	42.033826
"1205451"	252.669601	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+ACN+2H"	43.041102
"203179"	969.56736	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+2Na-H"	44.97116
"634601"	1431.86546	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+2Na-H"	44.97116
"1139200"	507.26926	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2Na-H"	44.97116
"179209"	485.287318	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+2Na"	45.978436
"625329"	716.436368	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+2Na"	45.978436
"1126285"	254.138268	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2Na"	45.978436
"1410541"	169.761270666667	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H+2Na"	46.985712
"1436822"	509.310846	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H+HCOOH"	47.012746
"229439"	490.32034	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+3H2O+2H"	56.04448
"1519327"	523.36289	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+IsoProp+H"	61.06479
"423760"	493.274288	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+Na+K"	61.952376
"778560"	724.423338	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+Na+K"	61.952376
"1671609"	262.125238	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Na+K"	61.952376
"255941"	988.611968	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+ACN+Na"	64.015768
"1237032"	526.313868	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+ACN+Na"	64.015768
"1724096"	526.337393	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+NH4+HCOOH"	64.039293
"1181796"	177.088584666667	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+3Na"	68.967654
"1662622"	531.292788	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Na+HCOOH"	68.994688
"170577"	1001.51524	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+2K-H"	76.91904
"610136"	1463.81334	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+2K-H"	76.91904
"1090275"	539.21714	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2K-H"	76.91904
"148184"	501.261258	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"2M+2K"	77.926316
"589931"	732.410308	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"3M+2K"	77.926316
"1073351"	270.112208	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2K"	77.926316
"1103279"	541.231692	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2K+H"	78.933592
"1341852"	541.319307	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+DMSO+H"	79.021207
"1009287"	545.358476	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2ACN+H"	83.060376
"1528506"	546.352108	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+IsoProp+Na+H"	84.054008
"1002618"	273.182876	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+2ACN+2H"	84.067652
"1600766"	547.266728	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+K+HCOOH"	84.968628
"1426057"	577.298238	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+H+CF3COOH"	115.000138
"1156345"	293.696151	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+3ACN+2H"	125.094202
"1711973"	594.324785	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+NH4+CF3COOH"	132.026685
"1641552"	599.28018	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+Na+CF3COOH"	136.98208
"1585950"	615.25412	"C08832"	"Podecdysone B"	"C27H42O6"	"462.2981"	"M+K+CF3COOH"	152.95602
"806474"	400.3705	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M"	0
"976359"	381.35211	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"63508"	265.906390666667	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"505256"	399.363224	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"880871"	132.449557333333	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"7467"	399.363224	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"451400"	599.548474	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"824828"	199.177974	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"89195"	799.733724	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"528758"	1200.104224	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"907652"	399.363224	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"57655"	816.760271	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"489202"	1217.130771	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"867369"	416.389771	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"36364"	821.715666	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"479205"	1222.086166	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"861385"	421.345166	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1633102"	421.345166	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"107446"	417.351563	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"548103"	617.536813	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"941737"	217.166313	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"277982"	835.710402	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"672592"	1236.080902	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1282808"	435.339902	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"22085"	837.689606	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"464930"	1238.060106	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"842732"	437.319106	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1568772"	437.319106	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"951917"	445.368694	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"370136"	845.739201	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"352196"	859.754851	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1502849"	459.384351	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"964923"	467.350651	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"122577"	435.339902	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"563230"	635.525152	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1033123"	235.154652	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1253793"	479.289385	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1315148"	481.345372	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1331549"	503.327329	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"922606"	513.356086	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1291661"	549.332764	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1372016"	365.357824	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1386959"	383.3678	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"296491"	801.748276	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"689280"	1202.118776	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1363078"	401.377776	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"135966"	401.377776	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"576984"	601.563026	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1048701"	201.192526	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"216235"	267.920942666667	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"656160"	401.377776	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1171368"	134.464109333333	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"430268"	818.774823	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"794541"	1219.145323	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1685408"	418.404323	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"334782"	409.8910495	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"728293"	610.0762995	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1492325"	209.7057995	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"407974"	823.730218	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"768241"	1224.100718	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1617433"	423.359718	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"325396"	412.368747	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"713441"	612.553997	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1467264"	212.183497	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1056142"	141.791423333333	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1264378"	433.403986	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"384051"	839.704158	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"742862"	1240.074658	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1547102"	439.333658	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"306462"	420.355717	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"696695"	620.540967	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1451609"	220.170467	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"241303"	842.774826	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1224227"	442.404326	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1208350"	221.705801	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"201710"	845.71216	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"635805"	1246.08266	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1139310"	445.34166	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"179319"	423.359718	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"619972"	623.544968	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1126759"	223.174468	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1409191"	149.118737333333	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1436932"	447.383246	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"227726"	428.39274	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1514698"	461.43529	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"423875"	431.346688	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"781950"	631.531938	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1673906"	231.161438	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"260425"	864.756768	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1235319"	464.386268	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1724206"	464.409793	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1187374"	156.446051333333	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1664434"	469.365188	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"172270"	877.66004	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"612198"	1278.03054	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1091478"	477.28954	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"147200"	439.333658	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"587854"	639.518908	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1075647"	239.148408	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1104484"	479.304092	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1343056"	479.391707	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1009397"	483.430876	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1528616"	484.424508	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"1004067"	242.219076	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1601240"	485.339128	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1426167"	515.370638	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1154268"	262.732351	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1710381"	532.397185	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1641662"	537.35258	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1586060"	553.32652	"C08833"	"Pollinastanol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"807677"	496.3036	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M"	0
"976834"	477.28521	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-H2O-H"	-19.01839
"65076"	329.861790666667	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M-3H"	-3.021828
"510102"	495.296324	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M-3H"	-3.021828
"882802"	164.427257333333	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-3H"	-3.021828
"4292"	495.296324	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M-2H"	-2.014552
"444949"	743.448124	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M-2H"	-2.014552
"823846"	247.144524	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-2H"	-2.014552
"86023"	991.599924	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M-H"	-1.007276
"525585"	1487.903524	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M-H"	-1.007276
"904479"	495.296324	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-H"	-1.007276
"59951"	1008.626471	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M-2H+NH4"	16.019271
"490771"	1504.930071	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M-2H+NH4"	16.019271
"866386"	512.322871	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-2H+NH4"	16.019271
"36474"	1013.581866	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M-2H+Na"	20.974666
"480409"	1509.885466	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M-2H+Na"	20.974666
"863803"	517.278266	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-2H+Na"	20.974666
"1633579"	517.278266	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Na-2H"	20.974666
"109015"	513.284663	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M-H+Cl"	33.962126
"548456"	761.436463	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M-H+Cl"	33.962126
"941723"	265.132863	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-H+Cl"	33.962126
"276999"	1027.576602	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+Cl"	34.969402
"671609"	1523.880202	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+Cl"	34.969402
"1282918"	531.273002	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Cl"	34.969402
"25475"	1029.555806	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M-2H+K"	36.948606
"465040"	1525.859406	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M-2H+K"	36.948606
"842842"	533.252206	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-2H+K"	36.948606
"1569610"	533.252206	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+K-2H"	36.948606
"954214"	541.301794	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-H+HCOOH"	44.998194
"372433"	1037.605401	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+HCOOH-H"	44.998201
"355222"	1051.621051	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+Hac-H"	59.013851
"1502959"	555.317451	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Hac-H"	59.013851
"969407"	563.283751	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-H+NaCOOH"	66.980151
"122688"	531.273002	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+2Cl"	69.938804
"563341"	779.424802	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+2Cl"	69.938804
"1034328"	283.121202	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2Cl"	69.938804
"1256091"	575.222485	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Br"	78.918885
"1315260"	577.278472	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Cl+HCOOH"	80.974872
"1327288"	599.260429	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Cl+NaCOOH"	102.956829
"921623"	609.289186	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M-H+CF3COOH"	112.985586
"1295051"	645.265864	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Cl+CF3COOH"	148.962264
"1367422"	461.290924	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H-2H2O"	-35.012676
"1385975"	479.3009	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H-H2O"	-17.0027
"291497"	993.614476	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+H"	1.007276
"689754"	1489.918076	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+H"	1.007276
"1359907"	497.310876	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H"	1.007276
"134252"	497.310876	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+2H"	2.014552
"574906"	745.462676	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+2H"	2.014552
"1049175"	249.159076	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2H"	2.014552
"216710"	331.876342666667	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+3H"	3.021828
"654446"	497.310876	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+3H"	3.021828
"1174758"	166.441809333333	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+3H"	3.021828
"436937"	1010.641023	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+NH4"	18.033823
"792464"	1506.944623	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+NH4"	18.033823
"1689888"	514.337423	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+NH4"	18.033823
"339259"	505.8241495	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+H+NH4"	19.041099
"728401"	753.9759495	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+H+NH4"	19.041099
"1492275"	257.6723495	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H+NH4"	19.041099
"403095"	1015.596418	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+Na"	22.989218
"768472"	1511.900018	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+Na"	22.989218
"1618026"	519.292818	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Na"	22.989218
"325142"	508.301847	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+H+Na"	23.996494
"716832"	756.453647	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+H+Na"	23.996494
"1467374"	260.150047	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H+Na"	23.996494
"1058439"	173.769123333333	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2H+Na"	25.00377
"1264489"	529.337086	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+CH3OH+H"	33.033486
"384161"	1031.570358	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+K"	38.963158
"742972"	1527.873958	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+K"	38.963158
"1550492"	535.266758	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+K"	38.963158
"306572"	516.288817	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+H+K"	39.970434
"695712"	764.440617	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+H+K"	39.970434
"1453906"	268.137017	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H+K"	39.970434
"243601"	1034.641026	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+ACN+H"	42.033826
"1224943"	538.337426	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+ACN+H"	42.033826
"1208946"	269.672351	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+ACN+2H"	43.041102
"201819"	1037.57836	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+2Na-H"	44.97116
"641379"	1533.88196	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+2Na-H"	44.97116
"1139420"	541.27476	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2Na-H"	44.97116
"179429"	519.292818	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+2Na"	45.978436
"621175"	767.444618	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+2Na"	45.978436
"1126868"	271.141018	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2Na"	45.978436
"1407111"	181.096437333333	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H+2Na"	46.985712
"1439228"	543.316346	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H+HCOOH"	47.012746
"227836"	524.32584	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+3H2O+2H"	56.04448
"1515901"	557.36839	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+IsoProp+H"	61.06479
"421790"	527.279788	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+Na+K"	61.952376
"782061"	775.431588	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+Na+K"	61.952376
"1677296"	279.127988	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Na+K"	61.952376
"260535"	1056.622968	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+ACN+Na"	64.015768
"1235429"	560.319368	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+ACN+Na"	64.015768
"1722858"	560.342893	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+NH4+HCOOH"	64.039293
"1188577"	188.423751333333	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+3Na"	68.967654
"1664180"	565.298288	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Na+HCOOH"	68.994688
"171041"	1069.52624	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+2K-H"	76.91904
"612265"	1565.82984	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+2K-H"	76.91904
"1094868"	573.22264	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2K-H"	76.91904
"149497"	535.266758	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"2M+2K"	77.926316
"590151"	783.418558	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"3M+2K"	77.926316
"1074664"	287.114958	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2K"	77.926316
"1105687"	575.237192	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2K+H"	78.933592
"1344260"	575.324807	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+DMSO+H"	79.021207
"1009507"	579.363976	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2ACN+H"	83.060376
"1528726"	580.357608	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+IsoProp+Na+H"	84.054008
"991894"	290.185626	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+2ACN+2H"	84.067652
"1599528"	581.272228	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+K+HCOOH"	84.968628
"1426277"	611.303738	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+H+CF3COOH"	115.000138
"1156565"	310.698901	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+3ACN+2H"	125.094202
"1710492"	628.330285	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+NH4+CF3COOH"	132.026685
"1641772"	633.28568	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+Na+CF3COOH"	136.98208
"1586170"	649.25962	"C08834"	"Polypodine B"	"C27H44O8"	"496.3036"	"M+K+CF3COOH"	152.95602
"807787"	464.3138	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M"	0
"976215"	445.29541	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-H2O-H"	-19.01839
"66279"	308.535257333333	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M-3H"	-3.021828
"506202"	463.306524	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M-3H"	-3.021828
"883640"	153.763990666667	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-3H"	-3.021828
"4402"	463.306524	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M-2H"	-2.014552
"445059"	695.463424	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M-2H"	-2.014552
"825047"	231.149624	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-2H"	-2.014552
"85039"	927.620324	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M-H"	-1.007276
"525694"	1391.934124	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M-H"	-1.007276
"903495"	463.306524	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-H"	-1.007276
"54591"	944.646871	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M-2H+NH4"	16.019271
"494161"	1408.960671	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M-2H+NH4"	16.019271
"870869"	480.333071	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-2H+NH4"	16.019271
"38771"	949.602266	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M-2H+Na"	20.974666
"480519"	1413.916066	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M-2H+Na"	20.974666
"863750"	485.288466	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-2H+Na"	20.974666
"1633973"	485.288466	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Na-2H"	20.974666
"108398"	481.294863	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M-H+Cl"	33.962126
"547595"	713.451763	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M-H+Cl"	33.962126
"941834"	249.137963	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-H+Cl"	33.962126
"279295"	963.597002	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+Cl"	34.969402
"673905"	1427.910802	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+Cl"	34.969402
"1284121"	499.283202	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Cl"	34.969402
"25585"	965.576206	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M-2H+K"	36.948606
"465150"	1429.890006	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M-2H+K"	36.948606
"841859"	501.262406	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-2H+K"	36.948606
"1569356"	501.262406	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+K-2H"	36.948606
"951044"	509.311994	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-H+HCOOH"	44.998194
"375095"	973.625801	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+HCOOH-H"	44.998201
"356791"	987.641451	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+Hac-H"	59.013851
"1503069"	523.327651	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Hac-H"	59.013851
"969517"	531.293951	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-H+NaCOOH"	66.980151
"121704"	499.283202	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+2Cl"	69.938804
"564544"	731.440102	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+2Cl"	69.938804
"1035530"	267.126302	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2Cl"	69.938804
"1252921"	543.232685	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Br"	78.918885
"1315369"	545.288672	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Cl+HCOOH"	80.974872
"1327397"	567.270629	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Cl+NaCOOH"	102.956829
"921733"	577.299386	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M-H+CF3COOH"	112.985586
"1295162"	613.276064	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Cl+CF3COOH"	148.962264
"1368953"	429.301124	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H-2H2O"	-35.012676
"1387178"	447.3111	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H-H2O"	-17.0027
"291607"	929.634876	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+H"	1.007276
"689136"	1393.948676	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+H"	1.007276
"1360746"	465.321076	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H"	1.007276
"133269"	465.321076	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+2H"	2.014552
"575745"	697.477976	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+2H"	2.014552
"1049285"	233.164176	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2H"	2.014552
"217550"	310.549809333333	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+3H"	3.021828
"654556"	465.321076	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+3H"	3.021828
"1174868"	155.778542666667	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+3H"	3.021828
"435956"	946.661423	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+NH4"	18.033823
"795854"	1410.975223	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+NH4"	18.033823
"1692185"	482.347623	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+NH4"	18.033823
"338276"	473.8343495	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+H+NH4"	19.041099
"728511"	705.9912495	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+H+NH4"	19.041099
"1490723"	241.6774495	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H+NH4"	19.041099
"404298"	951.616818	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+Na"	22.989218
"768582"	1415.930618	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+Na"	22.989218
"1617649"	487.303018	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Na"	22.989218
"325252"	476.312047	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+H+Na"	23.996494
"716214"	708.468947	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+H+Na"	23.996494
"1467484"	244.155147	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H+Na"	23.996494
"1061828"	163.105856666667	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2H+Na"	25.00377
"1264598"	497.347286	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+CH3OH+H"	33.033486
"385361"	967.590758	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+K"	38.963158
"746363"	1431.904558	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+K"	38.963158
"1550602"	503.276958	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+K"	38.963158
"305588"	484.299017	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+H+K"	39.970434
"696915"	716.455917	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+H+K"	39.970434
"1455109"	252.142117	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H+K"	39.970434
"243710"	970.661426	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+ACN+H"	42.033826
"1214237"	506.347626	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+ACN+H"	42.033826
"1205775"	253.677451	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+ACN+2H"	43.041102
"202658"	973.59876	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+2Na-H"	44.97116
"641489"	1437.91256	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+2Na-H"	44.97116
"1140624"	509.28496	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2Na-H"	44.97116
"181726"	487.303018	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+2Na"	45.978436
"621284"	719.459918	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+2Na"	45.978436
"1126978"	255.146118	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2Na"	45.978436
"1406128"	170.433170666667	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H+2Na"	46.985712
"1436058"	511.326546	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H+HCOOH"	47.012746
"229039"	492.33604	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+3H2O+2H"	56.04448
"1520383"	525.37859	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+IsoProp+H"	61.06479
"421900"	495.289988	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+Na+K"	61.952376
"779984"	727.446888	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+Na+K"	61.952376
"1678501"	263.133088	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Na+K"	61.952376
"260645"	992.643368	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+ACN+Na"	64.015768
"1236633"	528.329568	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+ACN+Na"	64.015768
"1724062"	528.353093	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+NH4+HCOOH"	64.039293
"1187594"	177.760484666667	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+3Na"	68.967654
"1665184"	533.308488	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Na+HCOOH"	68.994688
"172366"	1005.54664	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+2K-H"	76.91904
"612620"	1469.86044	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+2K-H"	76.91904
"1096072"	541.23284	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2K-H"	76.91904
"149607"	503.276958	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"2M+2K"	77.926316
"590260"	735.433858	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"3M+2K"	77.926316
"1075868"	271.120058	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2K"	77.926316
"1105796"	543.247392	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2K+H"	78.933592
"1347650"	543.335007	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+DMSO+H"	79.021207
"1009981"	547.374176	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2ACN+H"	83.060376
"1528836"	548.367808	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+IsoProp+Na+H"	84.054008
"993825"	274.190726	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+2ACN+2H"	84.067652
"1601099"	549.282428	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+K+HCOOH"	84.968628
"1426387"	579.313938	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+H+CF3COOH"	115.000138
"1153394"	294.704001	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+3ACN+2H"	125.094202
"1711695"	596.340485	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+NH4+CF3COOH"	132.026685
"1641882"	601.29588	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+Na+CF3COOH"	136.98208
"1586280"	617.26982	"C08835"	"Ponasterone A"	"C27H44O6"	"464.3138"	"M+K+CF3COOH"	152.95602
"806804"	412.3705	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M"	0
"975961"	393.35211	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"64203"	273.906390666667	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"504854"	411.363224	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"882657"	136.449557333333	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"5605"	411.363224	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"445169"	617.548474	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"825157"	205.177974	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"84056"	823.733724	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"521431"	1236.104224	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"898503"	411.363224	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"49233"	840.760271	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"496452"	1253.130771	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"870978"	428.389771	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"36694"	845.715666	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"481722"	1258.086166	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"863699"	433.345166	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1633921"	433.345166	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"108507"	429.351563	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"548067"	635.536813	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"938662"	223.166313	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"279405"	859.710402	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"670733"	1272.080902	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1284231"	447.339902	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"24600"	861.689606	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"465260"	1274.060106	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"844155"	449.319106	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1569102"	449.319106	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"952247"	457.368694	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"373747"	869.739201	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"357629"	883.754851	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1500263"	471.384351	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"969627"	479.350651	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"121814"	447.339902	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"562468"	653.525152	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1034547"	241.154652	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1254125"	491.289385	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1316574"	493.345372	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1328601"	515.327329	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"922936"	525.356086	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1296365"	561.332764	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1369063"	377.357824	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1385465"	395.3678	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"291717"	825.748276	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"687423"	1238.118776	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1361220"	413.377776	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"133379"	413.377776	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"577314"	619.563026	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1049395"	207.192526	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"217660"	275.920942666667	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"657949"	413.377776	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1173885"	138.464109333333	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"434970"	842.774823	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"794871"	1255.145323	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1690107"	430.404323	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"336199"	421.8910495	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"726433"	628.0762995	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1489740"	215.7057995	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"401129"	847.730218	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"766505"	1260.100718	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1615694"	435.359718	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"324998"	424.368747	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"718512"	630.553997	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1469780"	218.183497	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1060845"	145.791423333333	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1262522"	445.403986	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"385471"	863.704158	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"746467"	1276.074658	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1550707"	451.333658	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"304602"	432.355717	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"695932"	638.540967	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1450844"	226.170467	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"241633"	866.774826	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1214347"	454.404326	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1204792"	227.705801	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"202768"	869.71216	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"640506"	1282.08266	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1139640"	457.34166	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"181836"	435.359718	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"621394"	641.544968	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1123808"	229.174468	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1405145"	153.118737333333	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1435074"	459.383246	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"230242"	440.39274	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1517213"	473.43529	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"422010"	443.346688	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"781918"	649.531938	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1678612"	237.161438	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"263308"	888.756768	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1238201"	476.386268	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1721256"	476.409793	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1186611"	160.446051333333	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1664763"	481.365188	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"171988"	901.66004	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"610576"	1314.03054	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1095088"	489.28954	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"149717"	451.333658	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"587090"	657.518908	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1077071"	245.148408	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1106999"	491.304092	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1347760"	491.391707	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1009727"	495.430876	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1531132"	496.424508	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"994299"	248.219076	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1601817"	497.339128	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1426497"	527.370638	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1154597"	268.732351	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1711805"	544.397185	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1641992"	549.35258	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1586390"	565.32652	"C08836"	"Poriferasterol;(3beta22E24R)-Stigmasta-522-dien-3-ol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"806914"	362.2093	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M"	0
"978258"	343.19091	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"69779"	240.465590666667	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"509338"	361.202024	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"884954"	119.729157333333	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"7904"	361.202024	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"450747"	542.306674	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"827455"	180.097374	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"84167"	723.411324	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"522635"	1085.620624	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"900435"	361.202024	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"51529"	740.437871	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"497656"	1102.647171	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"868903"	378.228571	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"43364"	745.393266	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"480739"	1107.602566	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"862921"	383.183966	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1632940"	383.183966	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"108251"	379.190363	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"547813"	560.295013	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"939865"	198.085713	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"280609"	759.388002	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"674124"	1121.597302	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1285435"	397.178702	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"23618"	761.367206	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"457712"	1123.576506	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"840983"	399.157906	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1564472"	399.157906	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"952357"	407.207494	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"368749"	769.416801	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"349719"	783.432451	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1496726"	421.223151	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"960623"	429.189451	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"115728"	397.178702	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"560393"	578.283352	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1030284"	216.074052	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1249132"	441.128185	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1313404"	443.184172	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1327620"	465.166129	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"920862"	475.194886	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1297206"	511.171564	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1369173"	327.196624	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1383385"	345.2066	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"290734"	725.425876	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"685346"	1087.635176	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1361331"	363.216576	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"135678"	363.216576	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"573051"	544.321226	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1051693"	182.111926	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"219232"	242.480142666667	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"657331"	363.216576	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1177281"	121.743709333333	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"437636"	742.452423	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"791703"	1104.661723	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1691315"	380.243123	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"337404"	371.7298495	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"732017"	552.8344995	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1484746"	190.6251995	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"406707"	747.407818	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"767339"	1109.617118	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1613617"	385.198518	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"329366"	374.207547	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"722637"	555.312197	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1470620"	193.102897	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1064236"	129.071023333333	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1263726"	395.242786	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"385581"	763.381758	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"746577"	1125.591058	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1549724"	401.172458	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"304711"	382.194517	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"694948"	563.299167	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1454235"	201.089867	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"245024"	766.452426	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1217737"	404.243126	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1204902"	202.625201	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"202153"	769.38976	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"637335"	1131.59906	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1139751"	407.18046	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"181947"	385.198518	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"618227"	566.303168	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1122826"	204.093868	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1403069"	136.398337333333	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1435913"	409.222046	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"224880"	390.23154	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1520601"	423.27409	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"420296"	393.185488	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"779107"	574.290138	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1677992"	212.080838	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"264511"	788.434368	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1239039"	426.225068	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1723554"	426.248593	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1191095"	143.725651333333	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1663904"	431.203988	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"167847"	801.33764	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"610688"	1163.54694	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1098478"	439.12834	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"147641"	401.172458	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"585015"	582.277108	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1079370"	220.067808	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1107111"	441.142892	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1341308"	441.230507	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1008744"	445.269676	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1529058"	446.263308	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"991616"	223.138476	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1602040"	447.177928	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1421139"	477.209438	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1154707"	243.651751	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1697115"	494.235985	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1642102"	499.19138	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1586500"	515.16532	"C08837"	"Poststerone"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"807024"	480.3087	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M"	0
"977275"	461.29031	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-H2O-H"	-19.01839
"69890"	319.198524	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M-3H"	-3.021828
"511635"	479.301424	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M-3H"	-3.021828
"888345"	159.095624	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-3H"	-3.021828
"8014"	479.301424	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M-2H"	-2.014552
"450857"	719.455774	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M-2H"	-2.014552
"829388"	239.147074	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-2H"	-2.014552
"86464"	959.610124	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M-H"	-1.007276
"524931"	1439.918824	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M-H"	-1.007276
"904919"	479.301424	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-H"	-1.007276
"52733"	976.636671	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M-2H+NH4"	16.019271
"494487"	1456.945371	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M-2H+NH4"	16.019271
"867916"	496.327971	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-2H+NH4"	16.019271
"39100"	981.592066	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M-2H+Na"	20.974666
"480849"	1461.900766	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M-2H+Na"	20.974666
"861573"	501.283366	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-2H+Na"	20.974666
"1631465"	501.283366	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Na-2H"	20.974666
"104715"	497.289763	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M-H+Cl"	33.962126
"546461"	737.444113	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M-H+Cl"	33.962126
"933414"	257.135413	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-H+Cl"	33.962126
"277439"	995.586802	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+Cl"	34.969402
"664394"	1475.895502	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+Cl"	34.969402
"1278984"	515.278102	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Cl"	34.969402
"22635"	997.566006	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M-2H+K"	36.948606
"458916"	1477.874706	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M-2H+K"	36.948606
"838177"	517.257306	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-2H+K"	36.948606
"1562031"	517.257306	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+K-2H"	36.948606
"948822"	525.306894	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-H+HCOOH"	44.998194
"366307"	1005.615601	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+HCOOH-H"	44.998201
"348005"	1019.631251	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+Hac-H"	59.013851
"1500483"	539.322551	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Hac-H"	59.013851
"963286"	547.288851	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-H+NaCOOH"	66.980151
"118754"	515.278102	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+2Cl"	69.938804
"558316"	755.432452	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+2Cl"	69.938804
"1030395"	275.123752	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2Cl"	69.938804
"1248513"	559.227585	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Br"	78.918885
"1311328"	561.283572	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Cl+HCOOH"	80.974872
"1326637"	583.265529	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Cl+NaCOOH"	102.956829
"922068"	593.294286	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M-H+CF3COOH"	112.985586
"1293307"	629.270964	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Cl+CF3COOH"	148.962264
"1378028"	445.296024	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H-2H2O"	-35.012676
"1383620"	463.306	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H-H2O"	-17.0027
"294856"	961.624676	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+H"	1.007276
"685092"	1441.933376	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+H"	1.007276
"1361806"	481.315976	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H"	1.007276
"140162"	481.315976	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+2H"	2.014552
"576078"	721.470326	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+2H"	2.014552
"1051074"	241.161626	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2H"	2.014552
"217517"	321.213076	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+3H"	3.021828
"656349"	481.315976	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+3H"	3.021828
"1175932"	161.110176	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+3H"	3.021828
"437379"	978.651223	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+NH4"	18.033823
"792906"	1458.959923	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+NH4"	18.033823
"1691424"	498.342523	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+NH4"	18.033823
"339700"	489.8292495	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+H+NH4"	19.041099
"732126"	729.9835995	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+H+NH4"	19.041099
"1485949"	249.6748995	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H+NH4"	19.041099
"403537"	983.606618	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+Na"	22.989218
"767449"	1463.915318	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+Na"	22.989218
"1611536"	503.297918	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Na"	22.989218
"325219"	492.306947	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+H+Na"	23.996494
"720192"	732.461297	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+H+Na"	23.996494
"1468906"	252.152597	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H+Na"	23.996494
"1064345"	168.43749	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2H+Na"	25.00377
"1269304"	513.342186	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+CH3OH+H"	33.033486
"387878"	999.580558	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+K"	38.963158
"748875"	1479.889258	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+K"	38.963158
"1552751"	519.271858	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+K"	38.963158
"307010"	500.293917	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+H+K"	39.970434
"702714"	740.448267	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+H+K"	39.970434
"1457626"	260.139567	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H+K"	39.970434
"249144"	1002.651226	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+ACN+H"	42.033826
"1222221"	522.342526	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+ACN+H"	42.033826
"1206106"	261.674901	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+ACN+2H"	43.041102
"202988"	1005.58856	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+2Na-H"	44.97116
"638539"	1485.89726	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+2Na-H"	44.97116
"1140953"	525.27986	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2Na-H"	44.97116
"183151"	503.297918	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+2Na"	45.978436
"623802"	743.452268	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+2Na"	45.978436
"1120749"	263.143568	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2Na"	45.978436
"1407553"	175.764804	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H+2Na"	46.985712
"1438210"	527.321446	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H+HCOOH"	47.012746
"224989"	508.33094	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+3H2O+2H"	56.04448
"1517430"	541.37349	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+IsoProp+H"	61.06479
"416028"	511.284888	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+Na+K"	61.952376
"778121"	751.439238	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+Na+K"	61.952376
"1676639"	271.130538	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Na+K"	61.952376
"258785"	1024.633168	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+ACN+Na"	64.015768
"1236960"	544.324468	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+ACN+Na"	64.015768
"1720380"	544.347993	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+NH4+HCOOH"	64.039293
"1189015"	183.092118	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+3Na"	68.967654
"1657814"	549.303388	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Na+HCOOH"	68.994688
"166863"	1037.53644	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+2K-H"	76.91904
"608612"	1517.84514	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+2K-H"	76.91904
"1098105"	557.22774	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2K-H"	76.91904
"147751"	519.271858	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"2M+2K"	77.926316
"582938"	759.426208	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"3M+2K"	77.926316
"1077293"	279.117508	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2K"	77.926316
"1107221"	559.242292	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2K+H"	78.933592
"1339231"	559.329907	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+DMSO+H"	79.021207
"1011040"	563.369076	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2ACN+H"	83.060376
"1528074"	564.362708	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+IsoProp+Na+H"	84.054008
"991241"	282.188176	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+2ACN+2H"	84.067652
"1598870"	565.277328	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+K+HCOOH"	84.968628
"1417969"	595.308838	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+H+CF3COOH"	115.000138
"1151537"	302.701451	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+3ACN+2H"	125.094202
"1698536"	612.335385	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+NH4+CF3COOH"	132.026685
"1642212"	617.29078	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+Na+CF3COOH"	136.98208
"1586610"	633.26472	"C08838"	"Pterosterone"	"C27H44O7"	"480.3087"	"M+K+CF3COOH"	152.95602
"807134"	414.3862	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M"	0
"980665"	395.36781	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-H2O-H"	-19.01839
"70001"	275.250190666667	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M-3H"	-3.021828
"509560"	413.378924	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M-3H"	-3.021828
"884084"	137.121457333333	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-3H"	-3.021828
"2657"	413.378924	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M-2H"	-2.014552
"452062"	620.572024	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M-2H"	-2.014552
"827676"	206.185824	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-2H"	-2.014552
"87669"	827.765124	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M-H"	-1.007276
"526135"	1242.151324	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M-H"	-1.007276
"902845"	413.378924	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-H"	-1.007276
"57221"	844.791671	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M-2H+NH4"	16.019271
"493502"	1259.177871	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M-2H+NH4"	16.019271
"868025"	430.405471	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-2H+NH4"	16.019271
"35194"	849.747066	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M-2H+Na"	20.974666
"483145"	1264.133266	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M-2H+Na"	20.974666
"862653"	435.360866	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-2H+Na"	20.974666
"1629388"	435.360866	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Na-2H"	20.974666
"104825"	431.367263	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M-H+Cl"	33.962126
"545478"	638.560363	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M-H+Cl"	33.962126
"935711"	224.174163	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-H+Cl"	33.962126
"279736"	863.741802	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+Cl"	34.969402
"666692"	1278.128002	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+Cl"	34.969402
"1281280"	449.355602	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Cl"	34.969402
"23838"	865.721006	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M-2H+K"	36.948606
"459026"	1280.107206	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M-2H+K"	36.948606
"843391"	451.334806	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-2H+K"	36.948606
"1563234"	451.334806	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+K-2H"	36.948606
"951848"	459.384394	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-H+HCOOH"	44.998194
"370792"	873.770601	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+HCOOH-H"	44.998201
"355772"	887.786251	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+Hac-H"	59.013851
"1503510"	473.400051	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Hac-H"	59.013851
"961208"	481.366351	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-H+NaCOOH"	66.980151
"117406"	449.355602	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+2Cl"	69.938804
"556240"	656.548702	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+2Cl"	69.938804
"1028321"	242.162502	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2Cl"	69.938804
"1252270"	493.305085	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Br"	78.918885
"1312532"	495.361072	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Cl+HCOOH"	80.974872
"1324196"	517.343029	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Cl+NaCOOH"	102.956829
"919992"	527.371786	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M-H+CF3COOH"	112.985586
"1298522"	563.348464	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Cl+CF3COOH"	148.962264
"1370485"	379.373524	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H-2H2O"	-35.012676
"1387985"	397.3835	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H-H2O"	-17.0027
"293872"	829.779676	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+H"	1.007276
"685567"	1244.165876	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+H"	1.007276
"1361552"	415.393476	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H"	1.007276
"136263"	415.393476	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+2H"	2.014552
"576918"	622.586576	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+2H"	2.014552
"1049727"	208.200376	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2H"	2.014552
"216899"	277.264742666667	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+3H"	3.021828
"656825"	415.393476	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+3H"	3.021828
"1175314"	139.136009333333	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+3H"	3.021828
"434942"	846.806223	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+NH4"	18.033823
"797756"	1261.192423	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+NH4"	18.033823
"1688255"	432.420023	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+NH4"	18.033823
"341637"	423.9067495	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+H+NH4"	19.041099
"733327"	631.0998495	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+H+NH4"	19.041099
"1484966"	216.7136495	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H+NH4"	19.041099
"403645"	851.761618	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+Na"	22.989218
"766830"	1266.147818	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+Na"	22.989218
"1611646"	437.375418	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Na"	22.989218
"325694"	426.384447	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+H+Na"	23.996494
"717387"	633.577547	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+H+Na"	23.996494
"1466830"	219.191347	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H+Na"	23.996494
"1061175"	146.463323333333	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2H+Na"	25.00377
"1267228"	447.419686	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+CH3OH+H"	33.033486
"387988"	867.735558	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+K"	38.963158
"748986"	1282.121758	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+K"	38.963158
"1548852"	453.349358	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+K"	38.963158
"307122"	434.371417	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+H+K"	39.970434
"704648"	641.564517	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+H+K"	39.970434
"1457738"	227.178317	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H+K"	39.970434
"247434"	870.806226	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+ACN+H"	42.033826
"1221238"	456.420026	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+ACN+H"	42.033826
"1204029"	228.713651	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+ACN+2H"	43.041102
"197993"	873.74356	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+2Na-H"	44.97116
"641199"	1288.12976	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+2Na-H"	44.97116
"1139968"	459.35736	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2Na-H"	44.97116
"181074"	437.375418	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+2Na"	45.978436
"621726"	644.568518	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+2Na"	45.978436
"1127053"	230.182318	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2Na"	45.978436
"1404382"	153.790637333333	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H+2Na"	46.985712
"1437588"	461.398946	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H+HCOOH"	47.012746
"226193"	442.40844	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+3H2O+2H"	56.04448
"1518633"	475.45099	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+IsoProp+H"	61.06479
"416867"	445.362388	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+Na+K"	61.952376
"778231"	652.555488	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+Na+K"	61.952376
"1676749"	238.169288	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Na+K"	61.952376
"257802"	892.788168	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+ACN+Na"	64.015768
"1237070"	478.401968	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+ACN+Na"	64.015768
"1722678"	478.425493	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+NH4+HCOOH"	64.039293
"1191313"	161.117951333333	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+3Na"	68.967654
"1660112"	483.380888	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Na+HCOOH"	68.994688
"171346"	905.69144	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+2K-H"	76.91904
"612366"	1320.07764	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+2K-H"	76.91904
"1099187"	491.30524	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2K-H"	76.91904
"155152"	453.349358	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"2M+2K"	77.926316
"588516"	660.542458	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"3M+2K"	77.926316
"1079589"	246.156258	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2K"	77.926316
"1109518"	493.319792	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2K+H"	78.933592
"1343715"	493.407407	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+DMSO+H"	79.021207
"1015527"	497.446576	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2ACN+H"	83.060376
"1528185"	498.440208	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+IsoProp+Na+H"	84.054008
"995727"	249.226926	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+2ACN+2H"	84.067652
"1600073"	499.354828	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+K+HCOOH"	84.968628
"1425733"	529.386338	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+H+CF3COOH"	115.000138
"1152741"	269.740201	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+3ACN+2H"	125.094202
"1708853"	546.412885	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+NH4+CF3COOH"	132.026685
"1639039"	551.36828	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+Na+CF3COOH"	136.98208
"1586720"	567.34222	"C08839"	"Schottenol;7-Stigmastenol"	"C29H50O"	"414.3862"	"M+K+CF3COOH"	152.95602
"807244"	412.3705	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M"	0
"977495"	393.35211	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"70111"	273.906390666667	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"512950"	411.363224	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"883101"	136.449557333333	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"2766"	411.363224	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"452172"	617.548474	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"827786"	205.177974	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"87779"	823.733724	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"525152"	1236.104224	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"906235"	411.363224	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"55144"	840.760271	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"489239"	1253.130771	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"865583"	428.389771	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"33482"	845.715666	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"483255"	1258.086166	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"861061"	433.345166	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1629498"	433.345166	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"102748"	429.351563	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"543401"	635.536813	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"936914"	223.166313	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"275473"	859.710402	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"666802"	1272.080902	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1280297"	447.339902	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"16291"	861.689606	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"459136"	1274.060106	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"842772"	449.319106	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1559699"	449.319106	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"949406"	457.368694	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"367986"	869.739201	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"352602"	883.754851	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1502526"	471.384351	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"960954"	479.350651	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"117516"	447.339902	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"553796"	653.525152	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1026244"	241.154652	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1248008"	491.289385	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1310456"	493.345372	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1324672"	515.327329	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"920103"	525.356086	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1300454"	561.332764	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1370595"	377.357824	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1385179"	395.3678	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"292158"	825.748276	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"682396"	1238.118776	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1358746"	413.377776	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"133821"	413.377776	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"574476"	619.563026	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1046556"	207.192526	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"217008"	275.920942666667	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"655111"	413.377776	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1174328"	138.464109333333	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"436143"	842.774823	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"798231"	1255.145323	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1689457"	430.404323	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"341014"	421.8910495	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"729063"	628.0762995	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1487259"	215.7057995	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"400475"	847.730218	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"765846"	1260.100718	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1612850"	435.359718	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"325075"	424.368747	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"717497"	630.553997	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1470220"	218.183497	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1061285"	145.791423333333	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1267338"	445.403986	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"387005"	863.704158	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"748732"	1276.074658	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1548962"	451.333658	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"307232"	432.355717	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"701478"	638.540967	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1454568"	226.170467	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"247181"	866.774826	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1221350"	454.404326	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1205234"	227.705801	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"197010"	869.71216	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"639851"	1282.08266	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1142267"	457.34166	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"183370"	435.359718	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"621472"	641.544968	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1126070"	229.174468	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1404492"	153.118737333333	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1438792"	459.383246	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"225211"	440.39274	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1517650"	473.43529	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"417341"	443.346688	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"778341"	649.531938	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1676859"	237.161438	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"257912"	888.756768	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1238274"	476.386268	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1722788"	476.409793	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1193125"	160.446051333333	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1659128"	481.365188	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"171456"	901.66004	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"611747"	1314.03054	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1094435"	489.28954	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"155626"	451.333658	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"591906"	657.518908	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1079699"	245.148408	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1111815"	491.304092	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1343825"	491.391707	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1015637"	495.430876	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1530478"	496.424508	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"995837"	248.219076	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1596904"	497.339128	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1426938"	527.370638	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1155038"	268.732351	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1711150"	544.397185	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1639149"	549.35258	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1586830"	565.32652	"C08840"	"alpha-Spinasterol;Spinasterol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"807354"	470.2668	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M"	0
"980886"	451.24841	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-H2O-H"	-19.01839
"73502"	312.503924	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M-3H"	-3.021828
"515249"	469.259524	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M-3H"	-3.021828
"884304"	155.748324	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-3H"	-3.021828
"7251"	469.259524	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M-2H"	-2.014552
"452650"	704.392924	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M-2H"	-2.014552
"830817"	234.126124	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-2H"	-2.014552
"88982"	939.526324	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M-H"	-1.007276
"530729"	1409.793124	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M-H"	-1.007276
"907441"	469.259524	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-H"	-1.007276
"56348"	956.552871	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M-2H+NH4"	16.019271
"491536"	1426.819671	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M-2H+NH4"	16.019271
"864396"	486.286071	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-2H+NH4"	16.019271
"32861"	961.508266	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M-2H+Na"	20.974666
"478992"	1431.775066	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M-2H+Na"	20.974666
"862993"	491.241466	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-2H+Na"	20.974666
"1629609"	491.241466	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Na-2H"	20.974666
"101765"	487.247863	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M-H+Cl"	33.962126
"545698"	722.381263	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M-H+Cl"	33.962126
"939212"	252.114463	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-H+Cl"	33.962126
"276676"	975.503002	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+Cl"	34.969402
"668004"	1445.769802	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+Cl"	34.969402
"1278220"	505.236202	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Cl"	34.969402
"16562"	977.482206	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M-2H+K"	36.948606
"459246"	1447.749006	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M-2H+K"	36.948606
"838142"	507.215406	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-2H+K"	36.948606
"1557622"	507.215406	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+K-2H"	36.948606
"949517"	515.264994	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-H+HCOOH"	44.998194
"371012"	985.531801	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+HCOOH-H"	44.998201
"355993"	999.547451	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+Hac-H"	59.013851
"1503730"	529.280651	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Hac-H"	59.013851
"964711"	537.246951	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-H+NaCOOH"	66.980151
"116898"	505.236202	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+2Cl"	69.938804
"555366"	740.369602	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+2Cl"	69.938804
"1027081"	270.102802	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2Cl"	69.938804
"1249210"	549.185685	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Br"	78.918885
"1311659"	551.241672	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Cl+HCOOH"	80.974872
"1329155"	573.223629	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Cl+NaCOOH"	102.956829
"922400"	583.252386	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M-H+CF3COOH"	112.985586
"1300200"	619.229064	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Cl+CF3COOH"	148.962264
"1373987"	435.254124	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H-2H2O"	-35.012676
"1382938"	453.2641	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H-H2O"	-17.0027
"291906"	941.540876	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+H"	1.007276
"681778"	1411.807676	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+H"	1.007276
"1358856"	471.274076	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H"	1.007276
"133203"	471.274076	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+2H"	2.014552
"571306"	706.407476	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+2H"	2.014552
"1046666"	236.140676	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2H"	2.014552
"212017"	314.518476	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+3H"	3.021828
"654128"	471.274076	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+3H"	3.021828
"1173710"	157.762876	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+3H"	3.021828
"435527"	958.567423	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+NH4"	18.033823
"796519"	1428.834223	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+NH4"	18.033823
"1691390"	488.300623	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+NH4"	18.033823
"340033"	479.7873495	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+H+NH4"	19.041099
"730267"	714.9207495	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+H+NH4"	19.041099
"1484089"	244.6539495	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H+NH4"	19.041099
"401679"	963.522818	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+Na"	22.989218
"762675"	1433.789618	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+Na"	22.989218
"1612960"	493.256018	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Na"	22.989218
"322996"	482.265047	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+H+Na"	23.996494
"717607"	717.398447	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+H+Na"	23.996494
"1464137"	247.131647	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H+Na"	23.996494
"1061031"	165.09019	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2H+Na"	25.00377
"1270731"	503.300286	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+CH3OH+H"	33.033486
"386023"	979.496758	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+K"	38.963158
"753785"	1449.763558	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+K"	38.963158
"1550896"	509.229958	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+K"	38.963158
"312447"	490.252017	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+H+K"	39.970434
"704139"	725.385417	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+H+K"	39.970434
"1458690"	255.118617	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H+K"	39.970434
"247654"	982.567426	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+ACN+H"	42.033826
"1221460"	512.300626	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+ACN+H"	42.033826
"1207167"	256.653951	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+ACN+2H"	43.041102
"197120"	985.50476	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+2Na-H"	44.97116
"636681"	1455.77156	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+2Na-H"	44.97116
"1142012"	515.23796	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2Na-H"	44.97116
"182385"	493.256018	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+2Na"	45.978436
"620488"	728.389418	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+2Na"	45.978436
"1125816"	258.122618	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2Na"	45.978436
"1408612"	172.417504	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H+2Na"	46.985712
"1439634"	517.279546	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H+HCOOH"	47.012746
"228599"	498.28904	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+3H2O+2H"	56.04448
"1515573"	531.33159	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+IsoProp+H"	61.06479
"419638"	501.242988	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+Na+K"	61.952376
"777356"	736.376388	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+Na+K"	61.952376
"1679156"	266.109588	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Na+K"	61.952376
"265677"	1004.549368	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+ACN+Na"	64.015768
"1237291"	534.282568	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+ACN+Na"	64.015768
"1726177"	534.306093	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+NH4+HCOOH"	64.039293
"1193963"	179.744818	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+3Na"	68.967654
"1663612"	539.261488	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Na+HCOOH"	68.994688
"172299"	1017.45264	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+2K-H"	76.91904
"612304"	1487.71944	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+2K-H"	76.91904
"1096732"	547.18584	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2K-H"	76.91904
"157092"	509.229958	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"2M+2K"	77.926316
"592017"	744.363358	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"3M+2K"	77.926316
"1079810"	274.096558	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2K"	77.926316
"1109738"	549.200392	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2K+H"	78.933592
"1346124"	549.288007	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+DMSO+H"	79.021207
"1015749"	553.327176	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2ACN+H"	83.060376
"1531685"	554.320808	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+IsoProp+Na+H"	84.054008
"995947"	277.167226	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+2ACN+2H"	84.067652
"1597012"	555.235428	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+K+HCOOH"	84.968628
"1423767"	585.266938	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+H+CF3COOH"	115.000138
"1157335"	297.680501	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+3ACN+2H"	125.094202
"1702512"	602.293485	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+NH4+CF3COOH"	132.026685
"1639259"	607.24888	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+Na+CF3COOH"	136.98208
"1577099"	623.22282	"C08841"	"Withaferin A"	"C28H38O6"	"470.2668"	"M+K+CF3COOH"	152.95602
"807464"	470.2668	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M"	0
"984275"	451.24841	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-H2O-H"	-19.01839
"73612"	312.503924	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M-3H"	-3.021828
"510985"	469.259524	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M-3H"	-3.021828
"881134"	155.748324	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-3H"	-3.021828
"1897"	469.259524	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M-2H"	-2.014552
"450207"	704.392924	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M-2H"	-2.014552
"826916"	234.126124	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-2H"	-2.014552
"86907"	939.526324	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M-H"	-1.007276
"527561"	1409.793124	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M-H"	-1.007276
"905363"	469.259524	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-H"	-1.007276
"50993"	956.552871	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M-2H+NH4"	16.019271
"488720"	1426.819671	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M-2H+NH4"	16.019271
"864432"	486.286071	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-2H+NH4"	16.019271
"31453"	961.508266	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M-2H+Na"	20.974666
"476915"	1431.775066	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M-2H+Na"	20.974666
"862374"	491.241466	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-2H+Na"	20.974666
"1628627"	491.241466	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Na-2H"	20.974666
"97502"	487.247863	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M-H+Cl"	33.962126
"541436"	722.381263	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M-H+Cl"	33.962126
"937135"	252.114463	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-H+Cl"	33.962126
"273508"	975.503002	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+Cl"	34.969402
"660946"	1445.769802	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+Cl"	34.969402
"1273593"	505.236202	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Cl"	34.969402
"18701"	977.482206	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M-2H+K"	36.948606
"455826"	1447.749006	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M-2H+K"	36.948606
"833390"	507.215406	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-2H+K"	36.948606
"1558462"	507.215406	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+K-2H"	36.948606
"951815"	515.264994	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-H+HCOOH"	44.998194
"367842"	985.531801	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+HCOOH-H"	44.998201
"355009"	999.547451	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+Hac-H"	59.013851
"1503840"	529.280651	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Hac-H"	59.013851
"964821"	537.246951	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-H+NaCOOH"	66.980151
"117008"	505.236202	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+2Cl"	69.938804
"555476"	740.369602	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+2Cl"	69.938804
"1027555"	270.102802	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2Cl"	69.938804
"1248226"	549.185685	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Br"	78.918885
"1310676"	551.241672	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Cl+HCOOH"	80.974872
"1328172"	573.223629	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Cl+NaCOOH"	102.956829
"923603"	583.252386	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M-H+CF3COOH"	112.985586
"1297029"	619.229064	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Cl+CF3COOH"	148.962264
"1374097"	435.254124	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H-2H2O"	-35.012676
"1383008"	453.2641	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H-H2O"	-17.0027
"293837"	941.540876	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+H"	1.007276
"682616"	1411.807676	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+H"	1.007276
"1358602"	471.274076	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H"	1.007276
"133677"	471.274076	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+2H"	2.014552
"577613"	706.407476	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+2H"	2.014552
"1048601"	236.140676	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2H"	2.014552
"212856"	314.518476	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+3H"	3.021828
"654967"	471.274076	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+3H"	3.021828
"1173821"	157.762876	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+3H"	3.021828
"437096"	958.567423	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+NH4"	18.033823
"796629"	1428.834223	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+NH4"	18.033823
"1692960"	488.300623	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+NH4"	18.033823
"340507"	479.7873495	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+H+NH4"	19.041099
"730377"	714.9207495	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+H+NH4"	19.041099
"1483106"	244.6539495	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H+NH4"	19.041099
"402881"	963.522818	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+Na"	22.989218
"762785"	1433.789618	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+Na"	22.989218
"1614163"	493.256018	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Na"	22.989218
"322013"	482.265047	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+H+Na"	23.996494
"719905"	717.398447	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+H+Na"	23.996494
"1463883"	247.131647	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H+Na"	23.996494
"1061505"	165.09019	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2H+Na"	25.00377
"1266467"	503.300286	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+CH3OH+H"	33.033486
"386133"	979.496758	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+K"	38.963158
"750047"	1449.763558	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+K"	38.963158
"1551370"	509.229958	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+K"	38.963158
"306360"	490.252017	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+H+K"	39.970434
"703155"	725.385417	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+H+K"	39.970434
"1454789"	255.118617	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H+K"	39.970434
"244482"	982.567426	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+ACN+H"	42.033826
"1217195"	512.300626	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+ACN+H"	42.033826
"1201080"	256.653951	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+ACN+2H"	43.041102
"196133"	985.50476	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+2Na-H"	44.97116
"635698"	1455.77156	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+2Na-H"	44.97116
"1137019"	515.23796	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2Na-H"	44.97116
"179213"	493.256018	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+2Na"	45.978436
"620963"	728.389418	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+2Na"	45.978436
"1122281"	258.122618	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2Na"	45.978436
"1401552"	172.417504	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H+2Na"	46.985712
"1432454"	517.279546	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H+HCOOH"	47.012746
"228709"	498.28904	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+3H2O+2H"	56.04448
"1509117"	531.33159	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+IsoProp+H"	61.06479
"421572"	501.242988	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+Na+K"	61.952376
"777465"	736.376388	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+Na+K"	61.952376
"1670515"	266.109588	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Na+K"	61.952376
"260318"	1004.549368	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+ACN+Na"	64.015768
"1236307"	534.282568	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+ACN+Na"	64.015768
"1723007"	534.306093	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+NH4+HCOOH"	64.039293
"1189454"	179.744818	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+3Na"	68.967654
"1662628"	539.261488	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Na+HCOOH"	68.994688
"171677"	1017.45264	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+2K-H"	76.91904
"607956"	1487.71944	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+2K-H"	76.91904
"1093561"	547.18584	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2K-H"	76.91904
"152566"	509.229958	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"2M+2K"	77.926316
"594313"	744.363358	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"3M+2K"	77.926316
"1077733"	274.096558	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2K"	77.926316
"1107662"	549.200392	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2K+H"	78.933592
"1344046"	549.288007	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+DMSO+H"	79.021207
"1015857"	553.327176	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2ACN+H"	83.060376
"1530701"	554.320808	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+IsoProp+Na+H"	84.054008
"996056"	277.167226	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+2ACN+2H"	84.067652
"1597122"	555.235428	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+K+HCOOH"	84.968628
"1419502"	585.266938	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+H+CF3COOH"	115.000138
"1155258"	297.680501	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+3ACN+2H"	125.094202
"1697077"	602.293485	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+NH4+CF3COOH"	132.026685
"1638275"	607.24888	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+Na+CF3COOH"	136.98208
"1577209"	623.22282	"C08842"	"Withanolide D"	"C28H38O6"	"470.2668"	"M+K+CF3COOH"	152.95602
"807574"	550.2778	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M"	0
"984385"	531.25941	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H2O-H"	-19.01839
"73722"	365.844590666667	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-3H"	-3.021828
"513282"	549.270524	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-3H"	-3.021828
"883431"	182.418657333333	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-3H"	-3.021828
"3099"	549.270524	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H"	-2.014552
"453232"	824.409424	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H"	-2.014552
"828119"	274.131624	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H"	-2.014552
"88111"	1099.548324	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-H"	-1.007276
"528764"	1649.826124	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-H"	-1.007276
"906566"	549.270524	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H"	-1.007276
"53288"	1116.574871	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H+NH4"	16.019271
"492848"	1666.852671	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H+NH4"	16.019271
"865177"	566.297071	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H+NH4"	16.019271
"32720"	1121.530266	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H+Na"	20.974666
"472403"	1671.808066	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H+Na"	20.974666
"858836"	571.252466	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H+Na"	20.974666
"1628737"	571.252466	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na-2H"	20.974666
"100892"	567.258863	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-H+Cl"	33.962126
"540453"	842.397763	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-H+Cl"	33.962126
"937975"	292.119963	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+Cl"	33.962126
"272526"	1135.525002	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Cl"	34.969402
"663851"	1685.802802	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+Cl"	34.969402
"1275890"	585.247202	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl"	34.969402
"19175"	1137.504206	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H+K"	36.948606
"456789"	1687.782006	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H+K"	36.948606
"836175"	587.226406	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H+K"	36.948606
"1557477"	587.226406	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K-2H"	36.948606
"954112"	595.275994	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+HCOOH"	44.998194
"366859"	1145.553801	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+HCOOH-H"	44.998201
"354026"	1159.569451	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Hac-H"	59.013851
"1502858"	609.291651	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Hac-H"	59.013851
"966024"	617.257951	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+NaCOOH"	66.980151
"117118"	585.247202	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2Cl"	69.938804
"555586"	860.386102	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2Cl"	69.938804
"1029851"	310.108302	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2Cl"	69.938804
"1249429"	629.196685	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Br"	78.918885
"1314065"	631.252672	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl+HCOOH"	80.974872
"1330469"	653.234629	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl+NaCOOH"	102.956829
"924807"	663.263386	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+CF3COOH"	112.985586
"1296046"	699.240064	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl+CF3COOH"	148.962264
"1371291"	515.265124	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H-2H2O"	-35.012676
"1383563"	533.2751	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H-H2O"	-17.0027
"293582"	1101.562876	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H"	1.007276
"686006"	1651.840676	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H"	1.007276
"1359076"	551.285076	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H"	1.007276
"134151"	551.285076	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2H"	2.014552
"576994"	826.423976	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2H"	2.014552
"1049440"	276.146176	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2H"	2.014552
"214787"	367.859142666667	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+3H"	3.021828
"654348"	551.285076	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+3H"	3.021828
"1175388"	184.433209333333	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+3H"	3.021828
"437570"	1118.589423	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+NH4"	18.033823
"796739"	1668.867223	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+NH4"	18.033823
"1692705"	568.311623	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+NH4"	18.033823
"341345"	559.7983495	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H+NH4"	19.041099
"729394"	834.9372495	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H+NH4"	19.041099
"1483216"	284.6594495	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+NH4"	19.041099
"402991"	1123.544818	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Na"	22.989218
"762896"	1673.822618	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+Na"	22.989218
"1615367"	573.267018	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na"	22.989218
"327589"	562.276047	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H+Na"	23.996494
"721230"	837.414947	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H+Na"	23.996494
"1472738"	287.137147	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+Na"	23.996494
"1057239"	191.760523333333	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2H+Na"	25.00377
"1263292"	583.311286	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+CH3OH+H"	33.033486
"386243"	1139.518758	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+K"	38.963158
"750520"	1689.796558	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+K"	38.963158
"1544920"	589.240958	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K"	38.963158
"303190"	570.263017	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H+K"	39.970434
"699985"	845.401917	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H+K"	39.970434
"1454898"	295.124117	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+K"	39.970434
"244592"	1142.589426	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+ACN+H"	42.033826
"1216212"	592.311626	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+ACN+H"	42.033826
"1203377"	296.659451	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+ACN+2H"	43.041102
"194058"	1145.52676	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2Na-H"	44.97116
"639088"	1695.80456	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2Na-H"	44.97116
"1139315"	595.24896	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2Na-H"	44.97116
"179324"	573.267018	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2Na"	45.978436
"621072"	848.405918	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2Na"	45.978436
"1123485"	298.128118	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2Na"	45.978436
"1401541"	199.087837333333	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+2Na"	46.985712
"1432563"	597.290546	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+HCOOH"	47.012746
"229913"	578.30004	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+3H2O+2H"	56.04448
"1511785"	611.34259	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+IsoProp+H"	61.06479
"421682"	581.253988	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Na+K"	61.952376
"779762"	856.392888	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+Na+K"	61.952376
"1672812"	306.115088	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na+K"	61.952376
"259332"	1164.571368	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+ACN+Na"	64.015768
"1233136"	614.293568	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+ACN+Na"	64.015768
"1723116"	614.317093	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+NH4+HCOOH"	64.039293
"1188470"	206.415151333333	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+3Na"	68.967654
"1663832"	619.272488	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na+HCOOH"	68.994688
"170695"	1177.47464	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2K-H"	76.91904
"610252"	1727.75244	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2K-H"	76.91904
"1092577"	627.19684	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2K-H"	76.91904
"153768"	589.240958	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2K"	77.926316
"590048"	864.379858	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2K"	77.926316
"1078935"	314.102058	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2K"	77.926316
"1109959"	629.211392	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2K+H"	78.933592
"1349623"	629.299007	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+DMSO+H"	79.021207
"1017060"	633.338176	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2ACN+H"	83.060376
"1530811"	634.331808	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+IsoProp+Na+H"	84.054008
"996166"	317.172726	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2ACN+2H"	84.067652
"1597232"	635.246428	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K+HCOOH"	84.968628
"1419612"	665.277938	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+CF3COOH"	115.000138
"1155368"	337.686001	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+3ACN+2H"	125.094202
"1697063"	682.304485	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+NH4+CF3COOH"	132.026685
"1638385"	687.25988	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na+CF3COOH"	136.98208
"1577319"	703.23382	"C08843"	"Adonitoxin;Adonitoxigenin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K+CF3COOH"	152.95602
"814245"	286.0841	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M"	0
"984496"	267.06571	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"76020"	189.715457333333	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"515582"	285.076824	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"889008"	94.3540906666667	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"8678"	285.076824	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"452615"	428.118874	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"829323"	142.034774	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"82756"	571.160924	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"529968"	857.245024	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"906678"	285.076824	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"52306"	588.187471	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"487731"	874.271571	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"865532"	302.103371	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"36476"	593.142866	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"472388"	879.226966	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"850802"	307.058766	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1627753"	307.058766	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"106470"	303.065163	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"540563"	446.107213	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"937358"	160.023113	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"274823"	607.137602	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"663596"	893.221702	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1276000"	321.053502	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"22201"	609.116806	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"457023"	895.200906	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"836285"	323.032706	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1558316"	323.032706	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"950942"	331.082294	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"364782"	617.166401	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"347939"	631.182051	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1501873"	345.097951	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"966134"	353.064251	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"117228"	321.053502	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"556424"	464.095552	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1024128"	178.011452	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1246989"	365.002985	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1311624"	367.058972	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1329483"	389.040929	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"917627"	399.069686	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1296158"	435.046364	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1369580"	251.071424	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1394731"	269.0814	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"289318"	573.175476	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"687211"	859.259576	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1363926"	287.091376	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"138272"	287.091376	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"577104"	430.133426	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1048091"	144.049326	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"215629"	191.730009333333	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"655188"	287.091376	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1174773"	96.3686426666667	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"436951"	590.202023	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"797944"	876.286123	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1692087"	304.117923	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"341456"	295.6046495	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"731691"	438.6466995	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1481140"	152.5625995	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"405651"	595.157418	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"768476"	881.241518	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1616572"	309.073318	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"329952"	298.082347	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"722069"	441.124397	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1476006"	155.040297	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1057349"	103.695956666667	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1262309"	319.117586	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"387446"	611.131358	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"749537"	897.215458	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1547217"	325.047258	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"306580"	306.069317	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"700095"	449.111367	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1455008"	163.027267	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"246889"	614.202026	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1219601"	328.117926	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1202394"	164.562601	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"196355"	617.13936	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"638106"	903.22346	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1139426"	331.05526	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"181621"	309.073318	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"621184"	452.115368	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1122502"	166.031268	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1403838"	111.023270666667	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1432672"	333.096846	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"224555"	314.10634	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1511531"	347.14889	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"420334"	317.060288	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"777685"	460.102338	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1670735"	174.018238	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"261629"	636.183968	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1234339"	350.099868	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1725413"	350.123393	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1186394"	118.350584666667	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1659568"	355.078788	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"170803"	649.08724	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"610730"	935.17134	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1098157"	363.00314	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"155823"	325.047258	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"590159"	468.089308	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1072485"	182.005208	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1107882"	365.017692	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1346453"	365.105307	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1018263"	369.144476	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1527641"	370.138108	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"998463"	185.075876	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1597342"	371.052728	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1419722"	401.084238	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1155478"	205.589151	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1697014"	418.110785	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1634163"	423.06618	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1577429"	439.04012	"C08844"	"Moracin A"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"807794"	516.3087	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M"	0
"984606"	497.29031	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-H2O-H"	-19.01839
"76130"	343.198524	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M-3H"	-3.021828
"516782"	515.301424	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M-3H"	-3.021828
"888024"	171.095624	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-3H"	-3.021828
"10975"	515.301424	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M-2H"	-2.014552
"452725"	773.455774	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M-2H"	-2.014552
"830527"	257.147074	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-2H"	-2.014552
"87239"	1031.610124	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M-H"	-1.007276
"532265"	1547.918824	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M-H"	-1.007276
"908611"	515.301424	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-H"	-1.007276
"55696"	1048.636671	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M-2H+NH4"	16.019271
"488938"	1564.945371	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M-2H+NH4"	16.019271
"867590"	532.327971	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-2H+NH4"	16.019271
"37680"	1053.592066	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M-2H+Na"	20.974666
"474080"	1569.900766	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M-2H+Na"	20.974666
"859418"	537.283366	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-2H+Na"	20.974666
"1628956"	537.283366	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Na-2H"	20.974666
"104394"	533.289763	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M-H+Cl"	33.962126
"540673"	791.444113	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M-H+Cl"	33.962126
"936375"	275.135413	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-H+Cl"	33.962126
"274933"	1067.586802	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+Cl"	34.969402
"663342"	1583.895502	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+Cl"	34.969402
"1276839"	551.278102	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Cl"	34.969402
"19395"	1069.566006	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M-2H+K"	36.948606
"460049"	1585.874706	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M-2H+K"	36.948606
"834207"	553.257306	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-2H+K"	36.948606
"1559154"	553.257306	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+K-2H"	36.948606
"949955"	561.306894	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-H+HCOOH"	44.998194
"365256"	1077.615601	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+HCOOH-H"	44.998201
"349871"	1091.631251	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+Hac-H"	59.013851
"1497609"	575.322551	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Hac-H"	59.013851
"961870"	583.288851	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-H+NaCOOH"	66.980151
"112965"	551.278102	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+2Cl"	69.938804
"555805"	809.432452	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+2Cl"	69.938804
"1023873"	293.123752	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2Cl"	69.938804
"1246371"	595.227585	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Br"	78.918885
"1309912"	597.283572	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Cl+HCOOH"	80.974872
"1331781"	619.265529	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Cl+NaCOOH"	102.956829
"916643"	629.294286	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M-H+CF3COOH"	112.985586
"1297362"	665.270964	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Cl+CF3COOH"	148.962264
"1375523"	481.296024	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H-2H2O"	-35.012676
"1396665"	499.306	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H-H2O"	-17.0027
"297445"	1033.624676	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+H"	1.007276
"682944"	1549.933376	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+H"	1.007276
"1366224"	517.315976	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H"	1.007276
"138748"	517.315976	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+2H"	2.014552
"573934"	775.470326	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+2H"	2.014552
"1050022"	259.161626	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2H"	2.014552
"217196"	345.213076	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+3H"	3.021828
"657852"	517.315976	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+3H"	3.021828
"1175248"	173.110176	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+3H"	3.021828
"438878"	1050.651223	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+NH4"	18.033823
"799150"	1566.959923	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+NH4"	18.033823
"1695113"	534.342523	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+NH4"	18.033823
"343389"	525.8292495	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+H+NH4"	19.041099
"732894"	783.9835995	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+H+NH4"	19.041099
"1486719"	267.6748995	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H+NH4"	19.041099
"404303"	1055.606618	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+Na"	22.989218
"768589"	1571.915318	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+Na"	22.989218
"1615592"	539.297918	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Na"	22.989218
"328546"	528.306947	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+H+Na"	23.996494
"722303"	786.461297	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+H+Na"	23.996494
"1476850"	270.152597	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H+Na"	23.996494
"1060738"	180.43749	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2H+Na"	25.00377
"1264605"	549.342186	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+CH3OH+H"	33.033486
"384272"	1071.580558	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+K"	38.963158
"744177"	1587.889258	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+K"	38.963158
"1544047"	555.271858	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+K"	38.963158
"303410"	536.293917	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+H+K"	39.970434
"696925"	794.448267	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+H+K"	39.970434
"1455118"	278.139567	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H+K"	39.970434
"251322"	1074.651226	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+ACN+H"	42.033826
"1220803"	558.342526	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+ACN+H"	42.033826
"1205785"	279.674901	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+ACN+2H"	43.041102
"198653"	1077.58856	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+2Na-H"	44.97116
"640039"	1593.89726	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+2Na-H"	44.97116
"1144999"	561.27986	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2Na-H"	44.97116
"185012"	539.297918	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+2Na"	45.978436
"627125"	797.452268	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+2Na"	45.978436
"1129901"	281.143568	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2Na"	45.978436
"1407229"	187.764804	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H+2Na"	46.985712
"1439342"	563.321446	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H+HCOOH"	47.012746
"230133"	544.33094	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+3H2O+2H"	56.04448
"1511276"	577.37349	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+IsoProp+H"	61.06479
"420444"	547.284888	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+Na+K"	61.952376
"779983"	805.439238	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+Na+K"	61.952376
"1675218"	289.130538	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Na+K"	61.952376
"261738"	1096.633168	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+ACN+Na"	64.015768
"1230075"	580.324468	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+ACN+Na"	64.015768
"1718963"	580.347993	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+NH4+HCOOH"	64.039293
"1183224"	195.092118	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+3Na"	68.967654
"1659678"	585.303388	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Na+HCOOH"	68.994688
"168726"	1109.53644	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+2K-H"	76.91904
"611083"	1625.84514	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+2K-H"	76.91904
"1098632"	593.22774	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2K-H"	76.91904
"153988"	555.271858	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"2M+2K"	77.926316
"588082"	813.426208	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"3M+2K"	77.926316
"1072595"	297.117508	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2K"	77.926316
"1107992"	595.242292	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2K+H"	78.933592
"1341096"	595.329907	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+DMSO+H"	79.021207
"1015093"	599.369076	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2ACN+H"	83.060376
"1531031"	600.362708	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+IsoProp+Na+H"	84.054008
"1003313"	300.188176	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+2ACN+2H"	84.067652
"1595265"	601.277328	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+K+HCOOH"	84.968628
"1415458"	631.308838	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+H+CF3COOH"	115.000138
"1155588"	320.701451	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+3ACN+2H"	125.094202
"1698578"	648.335385	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+NH4+CF3COOH"	132.026685
"1634868"	653.29078	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+Na+CF3COOH"	136.98208
"1577539"	669.26472	"C08845"	"Adynerin;Adynerigenin 3-O-beta-D-diginoside"	"C30H44O7"	"516.3087"	"M+K+CF3COOH"	152.95602
"811187"	392.1988	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M"	0
"981438"	373.18041	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-H2O-H"	-19.01839
"70774"	260.458590666667	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M-3H"	-3.021828
"513614"	391.191524	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M-3H"	-3.021828
"889230"	129.725657333333	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-3H"	-3.021828
"13273"	391.191524	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M-2H"	-2.014552
"449555"	587.290924	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M-2H"	-2.014552
"830269"	195.092124	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-2H"	-2.014552
"86254"	783.390324	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M-H"	-1.007276
"531282"	1175.589124	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M-H"	-1.007276
"901431"	391.191524	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-H"	-1.007276
"53620"	800.416871	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M-2H+NH4"	16.019271
"489902"	1192.615671	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M-2H+NH4"	16.019271
"865148"	408.218071	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-2H+NH4"	16.019271
"34512"	805.372266	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M-2H+Na"	20.974666
"486637"	1197.571066	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M-2H+Na"	20.974666
"863181"	413.173466	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-2H+Na"	20.974666
"1633079"	413.173466	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Na-2H"	20.974666
"106325"	409.179863	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M-H+Cl"	33.962126
"544793"	605.279263	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M-H+Cl"	33.962126
"937578"	213.080463	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-H+Cl"	33.962126
"272856"	819.367002	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+Cl"	34.969402
"668193"	1211.565802	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+Cl"	34.969402
"1279869"	427.168202	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Cl"	34.969402
"25705"	821.346206	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M-2H+K"	36.948606
"461986"	1213.545006	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M-2H+K"	36.948606
"843071"	429.147406	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-2H+K"	36.948606
"1567653"	429.147406	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+K-2H"	36.948606
"951163"	437.196994	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-H+HCOOH"	44.998194
"367191"	829.395801	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+HCOOH-H"	44.998201
"356542"	843.411451	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+Hac-H"	59.013851
"1497722"	451.212651	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Hac-H"	59.013851
"965263"	459.178951	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-H+NaCOOH"	66.980151
"112711"	427.168202	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+2Cl"	69.938804
"553732"	623.267602	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+2Cl"	69.938804
"1022891"	231.068802	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2Cl"	69.938804
"1247574"	471.117685	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Br"	78.918885
"1309657"	473.173672	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Cl+HCOOH"	80.974872
"1333713"	495.155629	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Cl+NaCOOH"	102.956829
"916754"	505.184386	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M-H+CF3COOH"	112.985586
"1292005"	541.161064	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Cl+CF3COOH"	148.962264
"1374542"	357.186124	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H-2H2O"	-35.012676
"1388758"	375.1961	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H-H2O"	-17.0027
"289537"	785.404876	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+H"	1.007276
"690594"	1177.603676	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+H"	1.007276
"1366335"	393.206076	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H"	1.007276
"140316"	393.206076	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+2H"	2.014552
"581181"	589.305476	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+2H"	2.014552
"1050500"	197.106676	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2H"	2.014552
"214022"	262.473142666667	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+3H"	3.021828
"655768"	393.206076	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+3H"	3.021828
"1174993"	131.740209333333	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+3H"	3.021828
"433889"	802.431423	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+NH4"	18.033823
"794885"	1194.630223	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+NH4"	18.033823
"1693402"	410.232623	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+NH4"	18.033823
"343870"	401.7193495	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+H+NH4"	19.041099
"735931"	597.8187495	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+H+NH4"	19.041099
"1492305"	205.6199495	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H+NH4"	19.041099
"407701"	807.386818	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+Na"	22.989218
"768696"	1199.585618	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+Na"	22.989218
"1617888"	415.188018	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Na"	22.989218
"328655"	404.197047	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+H+Na"	23.996494
"722420"	600.296447	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+H+Na"	23.996494
"1476887"	208.097647	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H+Na"	23.996494
"1065226"	139.067523333333	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2H+Na"	25.00377
"1265813"	425.232286	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+CH3OH+H"	33.033486
"388761"	823.360758	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+K"	38.963158
"750851"	1215.559558	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+K"	38.963158
"1555177"	431.161958	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+K"	38.963158
"311171"	412.184017	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+H+K"	39.970434
"706803"	608.283417	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+H+K"	39.970434
"1460988"	216.084617	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H+K"	39.970434
"250389"	826.431426	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+ACN+H"	42.033826
"1220920"	434.232626	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+ACN+H"	42.033826
"1203345"	217.619951	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+ACN+2H"	43.041102
"198767"	829.36876	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+2Na-H"	44.97116
"639784"	1221.56756	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+2Na-H"	44.97116
"1144021"	437.16996	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2Na-H"	44.97116
"185122"	415.188018	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+2Na"	45.978436
"627233"	611.287418	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+2Na"	45.978436
"1122721"	219.088618	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2Na"	45.978436
"1405516"	146.394837333333	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H+2Na"	46.985712
"1437266"	439.211546	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H+HCOOH"	47.012746
"225869"	420.22104	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+3H2O+2H"	56.04448
"1511751"	453.26359	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+IsoProp+H"	61.06479
"422744"	423.174988	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+Na+K"	61.952376
"780823"	619.274388	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+Na+K"	61.952376
"1673142"	227.075588	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Na+K"	61.952376
"257476"	848.413368	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+ACN+Na"	64.015768
"1235653"	456.214568	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+ACN+Na"	64.015768
"1723447"	456.238093	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+NH4+HCOOH"	64.039293
"1186614"	153.722151333333	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+3Na"	68.967654
"1660881"	461.193488	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Na+HCOOH"	68.994688
"168836"	861.31664	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+2K-H"	76.91904
"605116"	1253.51544	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+2K-H"	76.91904
"1095097"	469.11784	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2K-H"	76.91904
"149726"	431.161958	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"2M+2K"	77.926316
"590380"	627.261358	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"3M+2K"	77.926316
"1077081"	235.062558	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2K"	77.926316
"1108106"	471.132392	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2K+H"	78.933592
"1343397"	471.220007	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+DMSO+H"	79.021207
"1017392"	475.259176	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2ACN+H"	83.060376
"1535519"	476.252808	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+IsoProp+Na+H"	84.054008
"1001964"	238.133226	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+2ACN+2H"	84.067652
"1595375"	477.167428	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+K+HCOOH"	84.968628
"1417754"	507.198938	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+H+CF3COOH"	115.000138
"1152418"	258.646501	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+3ACN+2H"	125.094202
"1701968"	524.225485	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+NH4+CF3COOH"	132.026685
"1634373"	529.18088	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+Na+CF3COOH"	136.98208
"1577649"	545.15482	"C08846"	"Mulberrofuran A"	"C25H28O4"	"392.1988"	"M+K+CF3COOH"	152.95602
"808014"	566.2727	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M"	0
"984826"	547.25431	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-H2O-H"	-19.01839
"68696"	376.507857333333	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M-3H"	-3.021828
"511536"	565.265424	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M-3H"	-3.021828
"887154"	187.750290666667	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-3H"	-3.021828
"12290"	565.265424	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M-2H"	-2.014552
"454037"	848.401774	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M-2H"	-2.014552
"828558"	282.129074	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-2H"	-2.014552
"85271"	1131.538124	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M-H"	-1.007276
"530299"	1697.810824	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M-H"	-1.007276
"903728"	565.265424	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-H"	-1.007276
"58104"	1148.564671	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M-2H+NH4"	16.019271
"496572"	1714.837371	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M-2H+NH4"	16.019271
"871093"	582.291971	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-2H+NH4"	16.019271
"35716"	1153.520066	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M-2H+Na"	20.974666
"478557"	1719.792766	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M-2H+Na"	20.974666
"860007"	587.247366	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-2H+Na"	20.974666
"1633799"	587.247366	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Na-2H"	20.974666
"106071"	583.253763	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M-H+Cl"	33.962126
"546727"	866.390113	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M-H+Cl"	33.962126
"940606"	300.117413	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-H+Cl"	33.962126
"275153"	1167.514802	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+Cl"	34.969402
"667574"	1733.787502	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+Cl"	34.969402
"1283259"	601.242102	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Cl"	34.969402
"23629"	1169.494006	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M-2H+K"	36.948606
"463190"	1735.766706	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M-2H+K"	36.948606
"840992"	603.221306	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-2H+K"	36.948606
"1563388"	603.221306	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+K-2H"	36.948606
"949086"	611.270894	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-H+HCOOH"	44.998194
"370582"	1177.543601	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+HCOOH-H"	44.998201
"356652"	1191.559251	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+Hac-H"	59.013851
"1502204"	625.286551	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Hac-H"	59.013851
"964278"	633.252851	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-H+NaCOOH"	66.980151
"115373"	601.242102	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+2Cl"	69.938804
"552018"	884.378452	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+2Cl"	69.938804
"1025920"	318.105752	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2Cl"	69.938804
"1246593"	645.191585	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Br"	78.918885
"1312321"	647.247572	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Cl+HCOOH"	80.974872
"1329816"	669.229529	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Cl+NaCOOH"	102.956829
"919782"	679.258286	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M-H+CF3COOH"	112.985586
"1298678"	715.234964	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Cl+CF3COOH"	148.962264
"1379755"	531.260024	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H-2H2O"	-35.012676
"1395431"	549.27	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H-H2O"	-17.0027
"297668"	1133.552676	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+H"	1.007276
"691351"	1699.825376	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+H"	1.007276
"1366446"	567.279976	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H"	1.007276
"141239"	567.279976	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+2H"	2.014552
"581194"	850.416326	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+2H"	2.014552
"1052638"	284.143626	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2H"	2.014552
"216319"	378.522409333333	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+3H"	3.021828
"658065"	567.279976	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+3H"	3.021828
"1176194"	189.764842666667	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+3H"	3.021828
"433999"	1150.579223	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+NH4"	18.033823
"794996"	1716.851923	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+NH4"	18.033823
"1692055"	584.306523	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+NH4"	18.033823
"343616"	575.7932495	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+H+NH4"	19.041099
"737136"	858.9295995	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+H+NH4"	19.041099
"1492503"	292.6568995	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H+NH4"	19.041099
"408491"	1155.534618	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+Na"	22.989218
"769757"	1721.807318	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+Na"	22.989218
"1618334"	589.261918	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Na"	22.989218
"329851"	578.270947	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+H+Na"	23.996494
"722781"	861.407297	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+H+Na"	23.996494
"1476100"	295.134597	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H+Na"	23.996494
"1067160"	197.092156666667	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2H+Na"	25.00377
"1267016"	599.306186	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+CH3OH+H"	33.033486
"386684"	1171.508558	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+K"	38.963158
"752784"	1737.781258	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+K"	38.963158
"1554355"	605.235858	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+K"	38.963158
"312377"	586.257917	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+H+K"	39.970434
"706788"	869.394267	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+H+K"	39.970434
"1460564"	303.121567	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H+K"	39.970434
"249406"	1174.579226	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+ACN+H"	42.033826
"1225039"	608.306526	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+ACN+H"	42.033826
"1207464"	304.656901	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+ACN+2H"	43.041102
"203861"	1177.51656	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+2Na-H"	44.97116
"643783"	1743.78926	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+2Na-H"	44.97116
"1145597"	611.24386	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2Na-H"	44.97116
"187787"	589.261918	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+2Na"	45.978436
"627711"	872.398268	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+2Na"	45.978436
"1127208"	306.125568	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2Na"	45.978436
"1407452"	204.419470666667	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H+2Na"	46.985712
"1439565"	613.285446	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H+HCOOH"	47.012746
"227073"	594.29494	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+3H2O+2H"	56.04448
"1516233"	627.33749	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+IsoProp+H"	61.06479
"422854"	597.248888	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+Na+K"	61.952376
"781662"	880.385238	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+Na+K"	61.952376
"1675440"	314.112538	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Na+K"	61.952376
"260867"	1196.561168	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+ACN+Na"	64.015768
"1235763"	630.288468	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+ACN+Na"	64.015768
"1725744"	630.311993	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+NH4+HCOOH"	64.039293
"1188911"	211.746784666667	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+3Na"	68.967654
"1663179"	635.267388	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Na+HCOOH"	68.994688
"172108"	1209.46444	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+2K-H"	76.91904
"609600"	1775.73714	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+2K-H"	76.91904
"1098368"	643.19174	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2K-H"	76.91904
"152023"	605.235858	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"2M+2K"	77.926316
"594864"	888.372208	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"3M+2K"	77.926316
"1079378"	322.099508	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2K"	77.926316
"1112227"	645.206292	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2K+H"	78.933592
"1343508"	645.293907	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+DMSO+H"	79.021207
"1017141"	649.333076	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2ACN+H"	83.060376
"1535629"	650.326708	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+IsoProp+Na+H"	84.054008
"1004261"	325.170176	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+2ACN+2H"	84.067652
"1594391"	651.241328	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+K+HCOOH"	84.968628
"1420048"	681.272838	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+H+CF3COOH"	115.000138
"1149246"	345.683451	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+3ACN+2H"	125.094202
"1699890"	698.299385	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+NH4+CF3COOH"	132.026685
"1634256"	703.25478	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+Na+CF3COOH"	136.98208
"1577759"	719.22872	"C08847"	"alpha-Antiarin;Antiarigenin 3-O-beta-D-antiaroside"	"C29H42O11"	"566.2727"	"M+K+CF3COOH"	152.95602
"808124"	552.2934	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M"	0
"984936"	533.27501	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H2O-H"	-19.01839
"70994"	367.188324	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-3H"	-3.021828
"510553"	551.286124	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-3H"	-3.021828
"883984"	183.090524	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-3H"	-3.021828
"6933"	551.286124	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H"	-2.014552
"453783"	827.432824	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H"	-2.014552
"824295"	275.139424	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H"	-2.014552
"81008"	1103.579524	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-H"	-1.007276
"523849"	1655.872924	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-H"	-1.007276
"898372"	551.286124	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H"	-1.007276
"51654"	1120.606071	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H+NH4"	16.019271
"490122"	1672.899471	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H+NH4"	16.019271
"871204"	568.312671	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H+NH4"	16.019271
"40201"	1125.561466	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H+Na"	20.974666
"479761"	1677.854866	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H+Na"	20.974666
"863399"	573.268066	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H+Na"	20.974666
"1632569"	573.268066	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na-2H"	20.974666
"105452"	569.274463	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-H+Cl"	33.962126
"539911"	845.421163	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-H+Cl"	33.962126
"934519"	293.127763	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+Cl"	33.962126
"268820"	1139.556202	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Cl"	34.969402
"667684"	1691.849602	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+Cl"	34.969402
"1282275"	587.262802	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl"	34.969402
"25926"	1141.535406	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H+K"	36.948606
"463300"	1693.828806	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H+K"	36.948606
"837823"	589.242006	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H+K"	36.948606
"1567873"	589.242006	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K-2H"	36.948606
"954665"	597.291594	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+HCOOH"	44.998194
"372881"	1149.585001	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+HCOOH-H"	44.998201
"355670"	1163.600651	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Hac-H"	59.013851
"1497943"	611.307251	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Hac-H"	59.013851
"969858"	619.273551	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+NaCOOH"	66.980151
"115483"	587.262802	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2Cl"	69.938804
"552128"	863.409502	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2Cl"	69.938804
"1024937"	311.116102	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2Cl"	69.938804
"1242080"	631.212285	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Br"	78.918885
"1310243"	633.268272	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl+HCOOH"	80.974872
"1327740"	655.250229	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl+NaCOOH"	102.956829
"919890"	665.278986	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+CF3COOH"	112.985586
"1295507"	701.255664	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl+CF3COOH"	148.962264
"1374763"	517.280724	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H-2H2O"	-35.012676
"1392261"	535.2907	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H-H2O"	-17.0027
"296320"	1105.594076	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H"	1.007276
"690533"	1657.887476	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H"	1.007276
"1366804"	553.300676	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H"	1.007276
"141026"	553.300676	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2H"	2.014552
"581353"	829.447376	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2H"	2.014552
"1049992"	277.153976	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2H"	2.014552
"216431"	369.202876	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+3H"	3.021828
"653806"	553.300676	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+3H"	3.021828
"1173025"	185.105076	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+3H"	3.021828
"435204"	1122.620623	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+NH4"	18.033823
"798023"	1674.914023	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+NH4"	18.033823
"1691436"	570.327223	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+NH4"	18.033823
"342997"	561.8139495	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H+NH4"	19.041099
"736880"	837.9606495	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H+NH4"	19.041099
"1491430"	285.6672495	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+NH4"	19.041099
"406465"	1127.576018	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Na"	22.989218
"769285"	1679.869418	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+Na"	22.989218
"1617747"	575.282618	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na"	22.989218
"329242"	564.291647	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H+Na"	23.996494
"722635"	840.438347	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H+Na"	23.996494
"1475728"	288.144947	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+Na"	23.996494
"1066543"	192.43239	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2H+Na"	25.00377
"1270409"	585.326886	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+CH3OH+H"	33.033486
"386796"	1143.549958	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+K"	38.963158
"748885"	1695.843358	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+K"	38.963158
"1552030"	591.256558	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K"	38.963158
"309205"	572.278617	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H+K"	39.970434
"706001"	848.425317	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H+K"	39.970434
"1457635"	296.131917	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+K"	39.970434
"247329"	1146.620626	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+ACN+H"	42.033826
"1222958"	594.327226	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+ACN+H"	42.033826
"1208794"	297.667251	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+ACN+2H"	43.041102
"201903"	1149.55796	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2Na-H"	44.97116
"642559"	1701.85136	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2Na-H"	44.97116
"1145824"	597.26456	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2Na-H"	44.97116
"187294"	575.282618	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2Na"	45.978436
"626000"	851.429318	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2Na"	45.978436
"1129994"	299.135918	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2Na"	45.978436
"1412666"	199.759704	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+2Na"	46.985712
"1441133"	599.306146	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+HCOOH"	47.012746
"226091"	580.31564	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+3H2O+2H"	56.04448
"1521087"	613.35819	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+IsoProp+H"	61.06479
"414945"	583.269588	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Na+K"	61.952376
"778127"	859.416288	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+Na+K"	61.952376
"1677375"	307.122888	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na+K"	61.952376
"262072"	1168.602568	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+ACN+Na"	64.015768
"1234780"	616.309168	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+ACN+Na"	64.015768
"1725854"	616.332693	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+NH4+HCOOH"	64.039293
"1189023"	207.087018	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+3Na"	68.967654
"1660010"	621.288088	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na+HCOOH"	68.994688
"169058"	1181.50584	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2K-H"	76.91904
"611175"	1733.79924	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2K-H"	76.91904
"1094227"	629.21244	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2K-H"	76.91904
"149949"	591.256558	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2K"	77.926316
"592791"	867.403258	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2K"	77.926316
"1074023"	315.109858	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2K"	77.926316
"1109420"	631.226992	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2K+H"	78.933592
"1344711"	631.314607	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+DMSO+H"	79.021207
"1016522"	635.353776	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2ACN+H"	83.060376
"1534643"	636.347408	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+IsoProp+Na+H"	84.054008
"1001092"	318.180526	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2ACN+2H"	84.067652
"1596688"	637.262028	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K+HCOOH"	84.968628
"1420159"	667.293538	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+CF3COOH"	115.000138
"1150449"	338.693801	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+3ACN+2H"	125.094202
"1702187"	684.320085	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+NH4+CF3COOH"	132.026685
"1634202"	689.27548	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na+CF3COOH"	136.98208
"1577869"	705.24942	"C08848"	"Antioside;Antiogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K+CF3COOH"	152.95602
"811514"	574.2778	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M"	0
"983952"	555.25941	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-H2O-H"	-19.01839
"76568"	381.844590666667	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M-3H"	-3.021828
"518198"	573.270524	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M-3H"	-3.021828
"891748"	190.418657333333	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-3H"	-3.021828
"12510"	573.270524	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M-2H"	-2.014552
"453163"	860.409424	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M-2H"	-2.014552
"830603"	286.131624	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-2H"	-2.014552
"87678"	1147.548324	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M-H"	-1.007276
"530521"	1721.826124	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M-H"	-1.007276
"902856"	573.270524	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-H"	-1.007276
"53951"	1164.574871	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M-2H+NH4"	16.019271
"491326"	1738.852671	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M-2H+NH4"	16.019271
"871315"	590.297071	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-2H+NH4"	16.019271
"41404"	1169.530266	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M-2H+Na"	20.974666
"479871"	1743.808066	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M-2H+Na"	20.974666
"863390"	595.252466	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-2H+Na"	20.974666
"1633045"	595.252466	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Na-2H"	20.974666
"102646"	591.258863	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M-H+Cl"	33.962126
"547554"	878.397763	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M-H+Cl"	33.962126
"940096"	304.119963	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-H+Cl"	33.962126
"278288"	1183.525002	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+Cl"	34.969402
"669981"	1757.802802	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+Cl"	34.969402
"1285666"	609.247202	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Cl"	34.969402
"29563"	1185.504206	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M-2H+K"	36.948606
"463410"	1759.782006	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M-2H+K"	36.948606
"837933"	611.226406	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-2H+K"	36.948606
"1567983"	611.226406	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+K-2H"	36.948606
"954775"	619.275994	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-H+HCOOH"	44.998194
"369712"	1193.553801	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+HCOOH-H"	44.998201
"355780"	1207.569451	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+Hac-H"	59.013851
"1502426"	633.291651	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Hac-H"	59.013851
"964500"	641.257951	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-H+NaCOOH"	66.980151
"117780"	609.247202	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+2Cl"	69.938804
"552601"	896.386102	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+2Cl"	69.938804
"1023951"	322.108302	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2Cl"	69.938804
"1243165"	653.196685	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Br"	78.918885
"1313633"	655.252672	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Cl+HCOOH"	80.974872
"1327850"	677.234629	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Cl+NaCOOH"	102.956829
"922187"	687.263386	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M-H+CF3COOH"	112.985586
"1295617"	723.240064	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Cl+CF3COOH"	148.962264
"1377058"	539.265124	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H-2H2O"	-35.012676
"1394556"	557.2751	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H-H2O"	-17.0027
"296429"	1149.562876	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+H"	1.007276
"691050"	1723.840676	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+H"	1.007276
"1366631"	575.285076	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H"	1.007276
"140778"	575.285076	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+2H"	2.014552
"580824"	862.423976	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+2H"	2.014552
"1052496"	288.146176	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2H"	2.014552
"216543"	383.859142666667	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+3H"	3.021828
"657922"	575.285076	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+3H"	3.021828
"1176052"	192.433209333333	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+3H"	3.021828
"437502"	1166.589423	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+NH4"	18.033823
"800852"	1740.867223	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+NH4"	18.033823
"1696693"	592.311623	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+NH4"	18.033823
"344203"	583.7983495	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+H+NH4"	19.041099
"736260"	870.9372495	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+H+NH4"	19.041099
"1486069"	296.6594495	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H+NH4"	19.041099
"407997"	1171.544818	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+Na"	22.989218
"767933"	1745.822618	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+Na"	22.989218
"1617940"	597.267018	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Na"	22.989218
"328985"	586.276047	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+H+Na"	23.996494
"722015"	873.414947	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+H+Na"	23.996494
"1476560"	299.137147	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H+Na"	23.996494
"1065558"	199.760523333333	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2H+Na"	25.00377
"1269424"	607.311286	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+CH3OH+H"	33.033486
"389093"	1187.518758	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+K"	38.963158
"748995"	1761.796558	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+K"	38.963158
"1549953"	613.240958	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+K"	38.963158
"307128"	594.263017	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+H+K"	39.970434
"703925"	881.401917	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+H+K"	39.970434
"1455558"	307.124117	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H+K"	39.970434
"246347"	1190.589426	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+ACN+H"	42.033826
"1221242"	616.311626	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+ACN+H"	42.033826
"1207317"	308.659451	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+ACN+2H"	43.041102
"199093"	1193.52676	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+2Na-H"	44.97116
"643398"	1767.80456	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+2Na-H"	44.97116
"1144715"	619.24896	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2Na-H"	44.97116
"186911"	597.267018	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+2Na"	45.978436
"627203"	884.405918	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+2Na"	45.978436
"1130469"	310.128118	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2Na"	45.978436
"1413709"	207.087837333333	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H+2Na"	46.985712
"1441973"	621.290546	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H+HCOOH"	47.012746
"227297"	602.30004	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+3H2O+2H"	56.04448
"1523629"	635.34259	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+IsoProp+H"	61.06479
"415056"	605.253988	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+Na+K"	61.952376
"778237"	892.392888	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+Na+K"	61.952376
"1673475"	318.115088	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Na+K"	61.952376
"262182"	1212.571368	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+ACN+Na"	64.015768
"1237077"	638.293568	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+ACN+Na"	64.015768
"1723777"	638.317093	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+NH4+HCOOH"	64.039293
"1185853"	214.415151333333	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+3Na"	68.967654
"1659027"	643.272488	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Na+HCOOH"	68.994688
"166620"	1225.47464	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+2K-H"	76.91904
"607275"	1799.75244	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+2K-H"	76.91904
"1087777"	651.19684	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2K-H"	76.91904
"143497"	613.240958	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"2M+2K"	77.926316
"588894"	900.379858	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"3M+2K"	77.926316
"1069999"	326.102058	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2K"	77.926316
"1107344"	653.211392	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2K+H"	78.933592
"1347375"	653.299007	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+DMSO+H"	79.021207
"1016269"	657.338176	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2ACN+H"	83.060376
"1535483"	658.331808	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+IsoProp+Na+H"	84.054008
"999016"	329.172726	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+2ACN+2H"	84.067652
"1597892"	659.246428	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+K+HCOOH"	84.968628
"1428654"	689.277938	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+H+CF3COOH"	115.000138
"1156025"	349.686001	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+3ACN+2H"	125.094202
"1707763"	706.304485	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+NH4+CF3COOH"	132.026685
"1636858"	711.25988	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+Na+CF3COOH"	136.98208
"1577979"	727.23382	"C08849"	"Asclepin"	"C31H42O10"	"574.2778"	"M+K+CF3COOH"	152.95602
"808344"	550.2778	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M"	0
"978595"	531.25941	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-H2O-H"	-19.01839
"70118"	365.844590666667	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M-3H"	-3.021828
"518062"	549.270524	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M-3H"	-3.021828
"892952"	182.418657333333	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-3H"	-3.021828
"11525"	549.270524	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M-2H"	-2.014552
"451087"	824.409424	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M-2H"	-2.014552
"828889"	274.131624	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-2H"	-2.014552
"88881"	1099.548324	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M-H"	-1.007276
"531359"	1649.826124	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M-H"	-1.007276
"908068"	549.270524	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-H"	-1.007276
"58434"	1116.574871	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M-2H+NH4"	16.019271
"493623"	1666.852671	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M-2H+NH4"	16.019271
"874705"	566.297071	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-2H+NH4"	16.019271
"40421"	1121.530266	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M-2H+Na"	20.974666
"479981"	1671.808066	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M-2H+Na"	20.974666
"863583"	571.252466	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-2H+Na"	20.974666
"1633396"	571.252466	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Na-2H"	20.974666
"108953"	567.258863	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M-H+Cl"	33.962126
"547785"	842.397763	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M-H+Cl"	33.962126
"939113"	292.119963	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-H+Cl"	33.962126
"276575"	1135.525002	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+Cl"	34.969402
"671184"	1685.802802	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+Cl"	34.969402
"1285776"	585.247202	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Cl"	34.969402
"30401"	1137.504206	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M-2H+K"	36.948606
"466800"	1687.782006	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M-2H+K"	36.948606
"840230"	587.226406	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-2H+K"	36.948606
"1565907"	587.226406	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+K-2H"	36.948606
"957073"	595.275994	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-H+HCOOH"	44.998194
"374926"	1145.553801	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+HCOOH-H"	44.998201
"360264"	1159.569451	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+Hac-H"	59.013851
"1506910"	609.291651	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Hac-H"	59.013851
"968984"	617.257951	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-H+NaCOOH"	66.980151
"118984"	585.247202	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+2Cl"	69.938804
"553078"	860.386102	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+2Cl"	69.938804
"1025520"	310.108302	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2Cl"	69.938804
"1242911"	629.196685	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Br"	78.918885
"1311557"	631.252672	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Cl+HCOOH"	80.974872
"1330147"	653.234629	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Cl+NaCOOH"	102.956829
"921204"	663.263386	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M-H+CF3COOH"	112.985586
"1300101"	699.240064	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Cl+CF3COOH"	148.962264
"1377169"	515.265124	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H-2H2O"	-35.012676
"1392479"	533.2751	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H-H2O"	-17.0027
"295446"	1101.562876	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+H"	1.007276
"690675"	1651.840676	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+H"	1.007276
"1364962"	551.285076	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H"	1.007276
"140402"	551.285076	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+2H"	2.014552
"580688"	826.423976	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+2H"	2.014552
"1052404"	276.146176	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2H"	2.014552
"218719"	367.859142666667	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+3H"	3.021828
"658032"	551.285076	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+3H"	3.021828
"1176650"	184.433209333333	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+3H"	3.021828
"439913"	1118.589423	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+NH4"	18.033823
"800554"	1668.867223	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+NH4"	18.033823
"1691658"	568.311623	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+NH4"	18.033823
"341030"	559.7983495	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+H+NH4"	19.041099
"732357"	834.9372495	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+H+NH4"	19.041099
"1487272"	284.6594495	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H+NH4"	19.041099
"408225"	1123.544818	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+Na"	22.989218
"769713"	1673.822618	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+Na"	22.989218
"1617964"	573.267018	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Na"	22.989218
"329215"	562.276047	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+H+Na"	23.996494
"722366"	837.414947	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+H+Na"	23.996494
"1473510"	287.137147	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H+Na"	23.996494
"1067859"	191.760523333333	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2H+Na"	25.00377
"1270263"	583.311286	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+CH3OH+H"	33.033486
"391029"	1139.518758	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+K"	38.963158
"752389"	1689.796558	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+K"	38.963158
"1555128"	589.240958	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+K"	38.963158
"309426"	570.263017	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+H+K"	39.970434
"704035"	845.401917	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+H+K"	39.970434
"1458948"	295.124117	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H+K"	39.970434
"248643"	1142.589426	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+ACN+H"	42.033826
"1222445"	592.311626	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+ACN+H"	42.033826
"1206333"	296.659451	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+ACN+2H"	43.041102
"199203"	1145.52676	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+2Na-H"	44.97116
"643998"	1695.80456	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+2Na-H"	44.97116
"1144459"	595.24896	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2Na-H"	44.97116
"187021"	573.267018	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+2Na"	45.978436
"627313"	848.405918	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+2Na"	45.978436
"1130454"	298.128118	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2Na"	45.978436
"1413248"	199.087837333333	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H+2Na"	46.985712
"1443542"	597.290546	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H+HCOOH"	47.012746
"230688"	578.30004	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+3H2O+2H"	56.04448
"1520571"	611.34259	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+IsoProp+H"	61.06479
"418448"	581.253988	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+Na+K"	61.952376
"781628"	856.392888	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+Na+K"	61.952376
"1676865"	306.115088	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Na+K"	61.952376
"261928"	1164.571368	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+ACN+Na"	64.015768
"1235000"	614.293568	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+ACN+Na"	64.015768
"1724252"	614.317093	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+NH4+HCOOH"	64.039293
"1188879"	206.415151333333	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+3Na"	68.967654
"1658046"	619.272488	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Na+HCOOH"	68.994688
"166730"	1177.47464	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+2K-H"	76.91904
"606289"	1727.75244	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+2K-H"	76.91904
"1093351"	627.19684	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2K-H"	76.91904
"145796"	589.240958	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"2M+2K"	77.926316
"589729"	864.379858	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"3M+2K"	77.926316
"1072056"	314.102058	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2K"	77.926316
"1107455"	629.211392	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2K+H"	78.933592
"1346391"	629.299007	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+DMSO+H"	79.021207
"1016741"	633.338176	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2ACN+H"	83.060376
"1535956"	634.331808	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+IsoProp+Na+H"	84.054008
"1001312"	317.172726	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+2ACN+2H"	84.067652
"1596908"	635.246428	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+K+HCOOH"	84.968628
"1428398"	665.277938	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+H+CF3COOH"	115.000138
"1151762"	337.686001	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+3ACN+2H"	125.094202
"1703499"	682.304485	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+NH4+CF3COOH"	132.026685
"1636968"	687.25988	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+Na+CF3COOH"	136.98208
"1578089"	703.23382	"C08850"	"Aspecioside"	"C29H42O10"	"550.2778"	"M+K+CF3COOH"	152.95602
"816353"	552.2934	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M"	0
"987454"	533.27501	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-H2O-H"	-19.01839
"74603"	367.188324	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M-3H"	-3.021828
"517443"	551.286124	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M-3H"	-3.021828
"893788"	183.090524	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-3H"	-3.021828
"10540"	551.286124	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M-2H"	-2.014552
"454111"	827.432824	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M-2H"	-2.014552
"830093"	275.139424	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-2H"	-2.014552
"91179"	1103.579524	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M-H"	-1.007276
"529646"	1655.872924	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M-H"	-1.007276
"907085"	551.286124	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-H"	-1.007276
"58180"	1120.606071	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M-2H+NH4"	16.019271
"499200"	1672.899471	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M-2H+NH4"	16.019271
"869349"	568.312671	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-2H+NH4"	16.019271
"45633"	1125.561466	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M-2H+Na"	20.974666
"484464"	1677.854866	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M-2H+Na"	20.974666
"863362"	573.268066	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-2H+Na"	20.974666
"1633883"	573.268066	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Na-2H"	20.974666
"109516"	569.274463	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M-H+Cl"	33.962126
"548872"	845.421163	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M-H+Cl"	33.962126
"942555"	293.127763	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-H+Cl"	33.962126
"279966"	1139.556202	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+Cl"	34.969402
"671295"	1691.849602	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+Cl"	34.969402
"1285886"	587.262802	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Cl"	34.969402
"31038"	1141.535406	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M-2H+K"	36.948606
"463630"	1693.828806	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M-2H+K"	36.948606
"845808"	589.242006	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-2H+K"	36.948606
"1569298"	589.242006	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+K-2H"	36.948606
"958428"	597.291594	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-H+HCOOH"	44.998194
"375400"	1149.585001	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+HCOOH-H"	44.998201
"360010"	1163.600651	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+Hac-H"	59.013851
"1507630"	611.307251	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Hac-H"	59.013851
"962533"	619.273551	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-H+NaCOOH"	66.980151
"120916"	587.262802	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+2Cl"	69.938804
"554282"	863.409502	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+2Cl"	69.938804
"1027455"	311.116102	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2Cl"	69.938804
"1243752"	631.212285	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Br"	78.918885
"1316042"	633.268272	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Cl+HCOOH"	80.974872
"1329895"	655.250229	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Cl+NaCOOH"	102.956829
"921315"	665.278986	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M-H+CF3COOH"	112.985586
"1298755"	701.255664	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Cl+CF3COOH"	148.962264
"1379465"	517.280724	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H-2H2O"	-35.012676
"1397693"	535.2907	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H-H2O"	-17.0027
"296649"	1105.594076	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+H"	1.007276
"691231"	1657.887476	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+H"	1.007276
"1366530"	553.300676	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H"	1.007276
"141244"	553.300676	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+2H"	2.014552
"581002"	829.447376	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+2H"	2.014552
"1052515"	277.153976	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2H"	2.014552
"217857"	369.202876	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+3H"	3.021828
"657779"	553.300676	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+3H"	3.021828
"1175543"	185.105076	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+3H"	3.021828
"438453"	1122.620623	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+NH4"	18.033823
"797624"	1674.914023	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+NH4"	18.033823
"1689581"	570.327223	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+NH4"	18.033823
"340046"	561.8139495	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+H+NH4"	19.041099
"731374"	837.9606495	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+H+NH4"	19.041099
"1487382"	285.6672495	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H+NH4"	19.041099
"407889"	1127.576018	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+Na"	22.989218
"769875"	1679.869418	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+Na"	22.989218
"1618381"	575.282618	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Na"	22.989218
"329924"	564.291647	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+H+Na"	23.996494
"720894"	840.438347	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+H+Na"	23.996494
"1472527"	288.144947	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H+Na"	23.996494
"1067605"	192.43239	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2H+Na"	25.00377
"1271469"	585.326886	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+CH3OH+H"	33.033486
"390044"	1143.549958	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+K"	38.963158
"752499"	1695.843358	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+K"	38.963158
"1554918"	591.256558	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+K"	38.963158
"313186"	572.278617	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+H+K"	39.970434
"705606"	848.425317	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+H+K"	39.970434
"1456874"	296.131917	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H+K"	39.970434
"247663"	1146.620626	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+ACN+H"	42.033826
"1222195"	594.327226	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+ACN+H"	42.033826
"1206078"	297.667251	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+ACN+2H"	43.041102
"201135"	1149.55796	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+2Na-H"	44.97116
"640331"	1701.85136	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+2Na-H"	44.97116
"1145300"	597.26456	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2Na-H"	44.97116
"188232"	575.282618	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+2Na"	45.978436
"627669"	851.429318	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+2Na"	45.978436
"1128736"	299.135918	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2Na"	45.978436
"1412994"	199.759704	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H+2Na"	46.985712
"1445275"	599.306146	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H+HCOOH"	47.012746
"232620"	580.31564	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+3H2O+2H"	56.04448
"1523478"	613.35819	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+IsoProp+H"	61.06479
"422566"	583.269588	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+Na+K"	61.952376
"783926"	859.416288	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+Na+K"	61.952376
"1679162"	307.122888	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Na+K"	61.952376
"265318"	1168.602568	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+ACN+Na"	64.015768
"1240095"	616.309168	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+ACN+Na"	64.015768
"1726913"	616.332693	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+NH4+HCOOH"	64.039293
"1189354"	207.087018	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+3Na"	68.967654
"1658155"	621.288088	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Na+HCOOH"	68.994688
"165017"	1181.50584	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+2K-H"	76.91904
"606763"	1733.79924	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+2K-H"	76.91904
"1096379"	629.21244	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2K-H"	76.91904
"145906"	591.256558	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"2M+2K"	77.926316
"591663"	867.403258	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"3M+2K"	77.926316
"1069979"	315.109858	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2K"	77.926316
"1105374"	631.226992	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2K+H"	78.933592
"1340665"	631.314607	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+DMSO+H"	79.021207
"1017947"	635.353776	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2ACN+H"	83.060376
"1538259"	636.347408	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+IsoProp+Na+H"	84.054008
"1004342"	318.180526	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+2ACN+2H"	84.067652
"1601396"	637.262028	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+K+HCOOH"	84.968628
"1428876"	667.293538	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+H+CF3COOH"	115.000138
"1156248"	338.693801	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+3ACN+2H"	125.094202
"1705798"	684.320085	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+NH4+CF3COOH"	132.026685
"1637077"	689.27548	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+Na+CF3COOH"	136.98208
"1578199"	705.24942	"C08851"	"Bipindoside"	"C29H44O10"	"552.2934"	"M+K+CF3COOH"	152.95602
"805284"	472.2097	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M"	0
"977721"	453.19131	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-H2O-H"	-19.01839
"67058"	313.799190666667	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M-3H"	-3.021828
"504429"	471.202424	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M-3H"	-3.021828
"884418"	156.395957333333	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-3H"	-3.021828
"7368"	471.202424	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M-2H"	-2.014552
"450212"	707.307274	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M-2H"	-2.014552
"826921"	235.097574	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-2H"	-2.014552
"89102"	943.412124	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M-H"	-1.007276
"529756"	1415.621824	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M-H"	-1.007276
"908655"	471.202424	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-H"	-1.007276
"55372"	960.438671	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M-2H+NH4"	16.019271
"498217"	1432.648371	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M-2H+NH4"	16.019271
"869459"	488.228971	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-2H+NH4"	16.019271
"42827"	965.394066	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M-2H+Na"	20.974666
"484575"	1437.603766	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M-2H+Na"	20.974666
"862379"	493.184366	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-2H+Na"	20.974666
"1633383"	493.184366	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Na-2H"	20.974666
"109752"	489.190763	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M-H+Cl"	33.962126
"549432"	725.295613	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M-H+Cl"	33.962126
"942629"	253.085913	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-H+Cl"	33.962126
"282144"	979.388802	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+Cl"	34.969402
"675172"	1451.598502	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+Cl"	34.969402
"1287089"	507.179102	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Cl"	34.969402
"30499"	981.368006	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M-2H+K"	36.948606
"466656"	1453.577706	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M-2H+K"	36.948606
"845554"	509.158306	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-2H+K"	36.948606
"1570136"	509.158306	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+K-2H"	36.948606
"958307"	517.207894	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-H+HCOOH"	44.998194
"375874"	989.417601	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+HCOOH-H"	44.998201
"360120"	1003.433251	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+Hac-H"	59.013851
"1508104"	531.223551	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Hac-H"	59.013851
"963736"	539.189851	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-H+NaCOOH"	66.980151
"119933"	507.179102	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+2Cl"	69.938804
"558764"	743.283952	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+2Cl"	69.938804
"1025741"	271.074252	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2Cl"	69.938804
"1245319"	551.128585	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Br"	78.918885
"1310683"	553.184572	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Cl+HCOOH"	80.974872
"1325993"	575.166529	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Cl+NaCOOH"	102.956829
"918145"	585.195286	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M-H+CF3COOH"	112.985586
"1294854"	621.171964	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Cl+CF3COOH"	148.962264
"1380668"	437.197024	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H-2H2O"	-35.012676
"1395614"	455.207	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H-H2O"	-17.0027
"296758"	945.426676	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+H"	1.007276
"690169"	1417.636376	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+H"	1.007276
"1366396"	473.216976	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H"	1.007276
"141107"	473.216976	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+2H"	2.014552
"580424"	709.321826	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+2H"	2.014552
"1052504"	237.112126	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2H"	2.014552
"219183"	315.813742666667	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+3H"	3.021828
"656430"	473.216976	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+3H"	3.021828
"1175653"	158.410509333333	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+3H"	3.021828
"438318"	962.453223	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+NH4"	18.033823
"798827"	1434.662923	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+NH4"	18.033823
"1691877"	490.243523	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+NH4"	18.033823
"339063"	481.7302495	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+H+NH4"	19.041099
"732577"	717.8350995	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+H+NH4"	19.041099
"1486399"	245.6253995	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H+NH4"	19.041099
"408125"	967.408618	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+Na"	22.989218
"768995"	1439.618318	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+Na"	22.989218
"1617457"	495.198918	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Na"	22.989218
"329196"	484.207947	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+H+Na"	23.996494
"720883"	720.312797	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+H+Na"	23.996494
"1472637"	248.103097	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H+Na"	23.996494
"1066860"	165.737823333333	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2H+Na"	25.00377
"1271578"	505.243186	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+CH3OH+H"	33.033486
"391246"	983.382558	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+K"	38.963158
"752609"	1455.592258	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+K"	38.963158
"1553206"	511.172858	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+K"	38.963158
"313295"	492.194917	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+H+K"	39.970434
"704987"	728.299767	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+H+K"	39.970434
"1454797"	256.090067	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H+K"	39.970434
"247773"	986.453226	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+ACN+H"	42.033826
"1220482"	514.243526	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+ACN+H"	42.033826
"1202179"	257.625401	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+ACN+2H"	43.041102
"198330"	989.39056	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+2Na-H"	44.97116
"637886"	1461.60026	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+2Na-H"	44.97116
"1139208"	517.18086	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2Na-H"	44.97116
"187241"	495.198918	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+2Na"	45.978436
"623882"	731.303768	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+2Na"	45.978436
"1127387"	259.094068	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2Na"	45.978436
"1410181"	173.065137333333	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H+2Na"	46.985712
"1444736"	519.222446	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H+HCOOH"	47.012746
"233459"	500.23194	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+3H2O+2H"	56.04448
"1522980"	533.27449	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+IsoProp+H"	61.06479
"424016"	503.185888	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+Na+K"	61.952376
"785421"	739.290738	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+Na+K"	61.952376
"1679273"	267.081038	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Na+K"	61.952376
"266524"	1008.435168	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+ACN+Na"	64.015768
"1239232"	536.225468	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+ACN+Na"	64.015768
"1726295"	536.248993	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+NH4+HCOOH"	64.039293
"1183997"	180.392451333333	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+3Na"	68.967654
"1659358"	541.204388	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Na+HCOOH"	68.994688
"164034"	1021.33844	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+2K-H"	76.91904
"606873"	1493.54814	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+2K-H"	76.91904
"1094667"	549.12874	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2K-H"	76.91904
"146016"	511.172858	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"2M+2K"	77.926316
"588857"	747.277708	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"3M+2K"	77.926316
"1071182"	275.068008	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2K"	77.926316
"1103298"	551.143292	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2K+H"	78.933592
"1344059"	551.230907	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+DMSO+H"	79.021207
"1018057"	555.270076	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2ACN+H"	83.060376
"1539097"	556.263708	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+IsoProp+Na+H"	84.054008
"1003357"	278.138676	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+2ACN+2H"	84.067652
"1600412"	557.178328	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+K+HCOOH"	84.968628
"1428255"	587.209838	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+H+CF3COOH"	115.000138
"1157452"	298.651951	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+3ACN+2H"	125.094202
"1705908"	604.236385	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+NH4+CF3COOH"	132.026685
"1636093"	609.19178	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+Na+CF3COOH"	136.98208
"1578309"	625.16572	"C08852"	"Bryophyllin A"	"C26H32O8"	"472.2097"	"M+K+CF3COOH"	152.95602
"805394"	618.2676	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M"	0
"978925"	599.24921	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-H2O-H"	-19.01839
"71541"	411.171124	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M-3H"	-3.021828
"511101"	617.260324	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M-3H"	-3.021828
"884529"	205.081924	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-3H"	-3.021828
"8571"	617.260324	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M-2H"	-2.014552
"451051"	926.394124	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M-2H"	-2.014552
"827031"	308.126524	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-2H"	-2.014552
"91402"	1235.527924	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M-H"	-1.007276
"530597"	1853.795524	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M-H"	-1.007276
"908033"	617.260324	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-H"	-1.007276
"60951"	1252.554471	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M-2H+NH4"	16.019271
"500519"	1870.822071	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M-2H+NH4"	16.019271
"878564"	634.286871	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-2H+NH4"	16.019271
"45614"	1257.509866	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M-2H+Na"	20.974666
"484932"	1875.777466	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M-2H+Na"	20.974666
"862857"	639.242266	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-2H+Na"	20.974666
"1632395"	639.242266	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Na-2H"	20.974666
"107948"	635.248663	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M-H+Cl"	33.962126
"541555"	944.382463	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M-H+Cl"	33.962126
"940172"	326.114863	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-H+Cl"	33.962126
"271439"	1271.504602	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+Cl"	34.969402
"674675"	1889.772202	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+Cl"	34.969402
"1278452"	653.237002	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Cl"	34.969402
"28908"	1273.483806	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M-2H+K"	36.948606
"460569"	1891.751406	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M-2H+K"	36.948606
"840560"	655.216206	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-2H+K"	36.948606
"1564049"	655.216206	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+K-2H"	36.948606
"953756"	663.265794	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-H+HCOOH"	44.998194
"375620"	1281.533401	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+HCOOH-H"	44.998201
"355856"	1295.549051	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+Hac-H"	59.013851
"1506511"	677.281451	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Hac-H"	59.013851
"966033"	685.247751	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-H+NaCOOH"	66.980151
"114940"	653.237002	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+2Cl"	69.938804
"558510"	962.370802	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+2Cl"	69.938804
"1027674"	344.103202	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2Cl"	69.938804
"1245065"	697.186485	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Br"	78.918885
"1308606"	699.242472	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Cl+HCOOH"	80.974872
"1322823"	721.224429	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Cl+NaCOOH"	102.956829
"916067"	731.253186	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M-H+CF3COOH"	112.985586
"1296058"	767.229864	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Cl+CF3COOH"	148.962264
"1376404"	583.254924	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H-2H2O"	-35.012676
"1392808"	601.2649	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H-H2O"	-17.0027
"296140"	1237.542476	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+H"	1.007276
"690643"	1855.810076	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+H"	1.007276
"1366827"	619.274876	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H"	1.007276
"139641"	619.274876	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+2H"	2.014552
"580293"	928.408676	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+2H"	2.014552
"1051646"	310.141076	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2H"	2.014552
"219051"	413.185676	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+3H"	3.021828
"658854"	619.274876	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+3H"	3.021828
"1177103"	207.096476	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+3H"	3.021828
"438429"	1254.569023	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+NH4"	18.033823
"800034"	1872.836623	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+NH4"	18.033823
"1690895"	636.301423	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+NH4"	18.033823
"340267"	627.7881495	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+H+NH4"	19.041099
"733782"	936.9219495	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+H+NH4"	19.041099
"1490519"	318.6543495	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H+NH4"	19.041099
"407750"	1259.524418	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+Na"	22.989218
"769351"	1877.792018	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+Na"	22.989218
"1617083"	641.256818	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Na"	22.989218
"328704"	630.265847	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+H+Na"	23.996494
"721603"	939.399647	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+H+Na"	23.996494
"1473841"	321.132047	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H+Na"	23.996494
"1063811"	214.42379	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2H+Na"	25.00377
"1266583"	651.301086	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+CH3OH+H"	33.033486
"389533"	1275.498358	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+K"	38.963158
"747250"	1893.765958	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+K"	38.963158
"1554043"	657.230758	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+K"	38.963158
"313405"	638.252817	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+H+K"	39.970434
"705342"	947.386617	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+H+K"	39.970434
"1457092"	329.119017	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H+K"	39.970434
"242416"	1278.569026	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+ACN+H"	42.033826
"1220958"	660.301426	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+ACN+H"	42.033826
"1207759"	330.654351	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+ACN+2H"	43.041102
"198805"	1281.50636	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+2Na-H"	44.97116
"639089"	1899.77396	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+2Na-H"	44.97116
"1141140"	663.23876	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2Na-H"	44.97116
"187596"	641.256818	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+2Na"	45.978436
"624722"	950.390618	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+2Na"	45.978436
"1127498"	332.123018	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2Na"	45.978436
"1410291"	221.751104	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H+2Na"	46.985712
"1443141"	665.280346	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H+HCOOH"	47.012746
"227733"	646.28984	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+3H2O+2H"	56.04448
"1522483"	679.33239	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+IsoProp+H"	61.06479
"422425"	649.243788	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+Na+K"	61.952376
"784156"	958.377588	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+Na+K"	61.952376
"1680478"	340.109988	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Na+K"	61.952376
"265905"	1300.550968	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+ACN+Na"	64.015768
"1238980"	682.283368	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+ACN+Na"	64.015768
"1723856"	682.306893	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+NH4+HCOOH"	64.039293
"1187755"	229.078418	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+3Na"	68.967654
"1656189"	687.262288	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Na+HCOOH"	68.994688
"163051"	1313.45424	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+2K-H"	76.91904
"608077"	1931.72184	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+2K-H"	76.91904
"1095505"	695.18664	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2K-H"	76.91904
"149409"	657.230758	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"2M+2K"	77.926316
"586781"	966.364558	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"3M+2K"	77.926316
"1075667"	348.096958	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2K"	77.926316
"1106690"	697.201192	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2K+H"	78.933592
"1347815"	697.288807	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+DMSO+H"	79.021207
"1018166"	701.327976	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2ACN+H"	83.060376
"1539207"	702.321608	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+IsoProp+Na+H"	84.054008
"1003467"	351.167626	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+2ACN+2H"	84.067652
"1600522"	703.236228	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+K+HCOOH"	84.968628
"1423992"	733.267738	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+H+CF3COOH"	115.000138
"1157560"	371.680901	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+3ACN+2H"	125.094202
"1708203"	750.294285	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+NH4+CF3COOH"	132.026685
"1636203"	755.24968	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+Na+CF3COOH"	136.98208
"1572949"	771.22362	"C08853"	"Bryotoxin A"	"C32H42O12"	"618.2676"	"M+K+CF3COOH"	152.95602
"808784"	532.2672	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M"	0
"982315"	513.24881	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-H2O-H"	-19.01839
"70558"	353.837524	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M-3H"	-3.021828
"511211"	531.259924	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M-3H"	-3.021828
"886826"	176.415124	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-3H"	-3.021828
"5401"	531.259924	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M-2H"	-2.014552
"451161"	797.393524	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M-2H"	-2.014552
"828235"	265.126324	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-2H"	-2.014552
"89321"	1063.527124	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M-H"	-1.007276
"530706"	1595.794324	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M-H"	-1.007276
"908143"	531.259924	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-H"	-1.007276
"59966"	1080.553671	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M-2H+NH4"	16.019271
"500989"	1612.820871	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M-2H+NH4"	16.019271
"878060"	548.286471	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-2H+NH4"	16.019271
"45843"	1085.509066	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M-2H+Na"	20.974666
"486132"	1617.776266	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M-2H+Na"	20.974666
"862965"	553.241866	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-2H+Na"	20.974666
"1632500"	553.241866	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Na-2H"	20.974666
"107573"	549.248263	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M-H+Cl"	33.962126
"543853"	815.381863	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M-H+Cl"	33.962126
"939553"	283.114663	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-H+Cl"	33.962126
"277016"	1099.503802	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+Cl"	34.969402
"672717"	1631.771002	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+Cl"	34.969402
"1280750"	567.236602	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Cl"	34.969402
"28774"	1101.483006	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M-2H+K"	36.948606
"459586"	1633.750206	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M-2H+K"	36.948606
"838484"	569.215806	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-2H+K"	36.948606
"1563066"	569.215806	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+K-2H"	36.948606
"954230"	577.265394	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-H+HCOOH"	44.998194
"374633"	1109.532601	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+HCOOH-H"	44.998201
"356330"	1123.548251	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+Hac-H"	59.013851
"1506257"	591.281051	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Hac-H"	59.013851
"967237"	599.247351	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-H+NaCOOH"	66.980151
"113957"	567.236602	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+2Cl"	69.938804
"556798"	833.370202	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+2Cl"	69.938804
"1026691"	301.103002	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2Cl"	69.938804
"1245176"	611.186085	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Br"	78.918885
"1311997"	613.242072	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Cl+HCOOH"	80.974872
"1328400"	635.224029	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Cl+NaCOOH"	102.956829
"920552"	645.252786	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M-H+CF3COOH"	112.985586
"1297261"	681.229464	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Cl+CF3COOH"	148.962264
"1381619"	497.254524	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H-2H2O"	-35.012676
"1397294"	515.2645	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H-H2O"	-17.0027
"293698"	1065.541676	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+H"	1.007276
"690755"	1597.808876	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+H"	1.007276
"1366698"	533.274476	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H"	1.007276
"141085"	533.274476	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+2H"	2.014552
"580283"	799.408076	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+2H"	2.014552
"1052604"	267.140876	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2H"	2.014552
"218553"	355.852076	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+3H"	3.021828
"657380"	533.274476	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+3H"	3.021828
"1177577"	178.429676	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+3H"	3.021828
"434771"	1082.568223	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+NH4"	18.033823
"800386"	1614.835423	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+NH4"	18.033823
"1692098"	550.301023	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+NH4"	18.033823
"340377"	541.7877495	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+H+NH4"	19.041099
"734985"	807.9213495	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+H+NH4"	19.041099
"1490993"	275.6541495	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H+NH4"	19.041099
"408306"	1087.523618	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+Na"	22.989218
"769702"	1619.790818	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+Na"	22.989218
"1618208"	555.256418	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Na"	22.989218
"329665"	544.265447	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+H+Na"	23.996494
"721224"	810.399047	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+H+Na"	23.996494
"1472857"	278.131847	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H+Na"	23.996494
"1062827"	185.75699	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2H+Na"	25.00377
"1266693"	565.300686	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+CH3OH+H"	33.033486
"390736"	1103.497558	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+K"	38.963158
"750640"	1635.764758	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+K"	38.963158
"1554762"	571.230358	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+K"	38.963158
"312055"	552.252417	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+H+K"	39.970434
"702292"	818.386017	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+H+K"	39.970434
"1455015"	286.118817	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H+K"	39.970434
"240340"	1106.568226	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+ACN+H"	42.033826
"1221068"	574.301026	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+ACN+H"	42.033826
"1202399"	287.654151	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+ACN+2H"	43.041102
"200008"	1109.50556	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+2Na-H"	44.97116
"637013"	1641.77276	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+2Na-H"	44.97116
"1138334"	577.23836	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2Na-H"	44.97116
"186127"	555.256418	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+2Na"	45.978436
"625196"	821.390018	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+2Na"	45.978436
"1128701"	289.122818	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2Na"	45.978436
"1409308"	193.084304	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H+2Na"	46.985712
"1438148"	579.279946	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H+HCOOH"	47.012746
"223468"	560.28944	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+3H2O+2H"	56.04448
"1520282"	593.33199	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+IsoProp+H"	61.06479
"422900"	563.243388	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+Na+K"	61.952376
"784143"	829.376988	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+Na+K"	61.952376
"1680104"	297.109788	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Na+K"	61.952376
"266018"	1128.550168	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+ACN+Na"	64.015768
"1239942"	596.282968	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+ACN+Na"	64.015768
"1725422"	596.306493	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+NH4+HCOOH"	64.039293
"1184581"	200.411618	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+3Na"	68.967654
"1654112"	601.261888	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Na+HCOOH"	68.994688
"165348"	1141.45344	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+2K-H"	76.91904
"603812"	1673.72064	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+2K-H"	76.91904
"1091605"	609.18624	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2K-H"	76.91904
"149519"	571.230358	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"2M+2K"	77.926316
"587984"	837.363958	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"3M+2K"	77.926316
"1075777"	305.096758	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2K"	77.926316
"1108987"	611.200792	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2K+H"	78.933592
"1348653"	611.288407	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+DMSO+H"	79.021207
"1018276"	615.327576	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2ACN+H"	83.060376
"1538587"	616.321208	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+IsoProp+Na+H"	84.054008
"1003577"	308.167426	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+2ACN+2H"	84.067652
"1601362"	617.235828	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+K+HCOOH"	84.968628
"1421916"	647.267338	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+H+CF3COOH"	115.000138
"1158763"	328.680701	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+3ACN+2H"	125.094202
"1711593"	664.293885	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+NH4+CF3COOH"	132.026685
"1636313"	669.24928	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+Na+CF3COOH"	136.98208
"1574152"	685.22322	"C08854"	"Calactin"	"C29H40O9"	"532.2672"	"M+K+CF3COOH"	152.95602
"808894"	532.2672	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M"	0
"979145"	513.24881	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-H2O-H"	-19.01839
"70668"	353.837524	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M-3H"	-3.021828
"510228"	531.259924	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M-3H"	-3.021828
"886936"	176.415124	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-3H"	-3.021828
"4418"	531.259924	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M-2H"	-2.014552
"447260"	797.393524	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M-2H"	-2.014552
"827981"	265.126324	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-2H"	-2.014552
"88703"	1063.527124	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M-H"	-1.007276
"529722"	1595.794324	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M-H"	-1.007276
"908617"	531.259924	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-H"	-1.007276
"59348"	1080.553671	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M-2H+NH4"	16.019271
"501099"	1612.820871	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M-2H+NH4"	16.019271
"875620"	548.286471	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-2H+NH4"	16.019271
"46684"	1085.509066	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M-2H+Na"	20.974666
"483447"	1617.776266	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M-2H+Na"	20.974666
"863804"	553.241866	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-2H+Na"	20.974666
"1633667"	553.241866	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Na-2H"	20.974666
"107681"	549.248263	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M-H+Cl"	33.962126
"546149"	815.381863	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M-H+Cl"	33.962126
"939663"	283.114663	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-H+Cl"	33.962126
"279313"	1099.503802	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+Cl"	34.969402
"671734"	1631.771002	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+Cl"	34.969402
"1281953"	567.236602	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Cl"	34.969402
"28884"	1101.483006	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M-2H+K"	36.948606
"460788"	1633.750206	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M-2H+K"	36.948606
"839687"	569.215806	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-2H+K"	36.948606
"1562082"	569.215806	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+K-2H"	36.948606
"954340"	577.265394	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-H+HCOOH"	44.998194
"372556"	1109.532601	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+HCOOH-H"	44.998201
"356440"	1123.548251	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+Hac-H"	59.013851
"1505639"	591.281051	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Hac-H"	59.013851
"964066"	599.247351	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-H+NaCOOH"	66.980151
"114067"	567.236602	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+2Cl"	69.938804
"554721"	833.370202	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+2Cl"	69.938804
"1030081"	301.103002	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2Cl"	69.938804
"1243099"	611.186085	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Br"	78.918885
"1308825"	613.242072	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Cl+HCOOH"	80.974872
"1324136"	635.224029	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Cl+NaCOOH"	102.956829
"914100"	645.252786	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M-H+CF3COOH"	112.985586
"1291903"	681.229464	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Cl+CF3COOH"	148.962264
"1376625"	497.254524	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H-2H2O"	-35.012676
"1395216"	515.2645	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H-H2O"	-17.0027
"293808"	1065.541676	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+H"	1.007276
"690245"	1597.808876	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+H"	1.007276
"1364771"	533.274476	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H"	1.007276
"139485"	533.274476	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+2H"	2.014552
"581270"	799.408076	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+2H"	2.014552
"1052545"	267.140876	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2H"	2.014552
"219350"	355.852076	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+3H"	3.021828
"656761"	533.274476	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+3H"	3.021828
"1174888"	178.429676	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+3H"	3.021828
"435973"	1082.568223	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+NH4"	18.033823
"797337"	1614.835423	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+NH4"	18.033823
"1691114"	550.301023	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+NH4"	18.033823
"340487"	541.7877495	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+H+NH4"	19.041099
"730722"	807.9213495	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+H+NH4"	19.041099
"1490010"	275.6541495	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H+NH4"	19.041099
"408213"	1087.523618	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+Na"	22.989218
"769569"	1619.790818	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+Na"	22.989218
"1618193"	555.256418	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Na"	22.989218
"329854"	544.265447	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+H+Na"	23.996494
"720607"	810.399047	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+H+Na"	23.996494
"1471873"	278.131847	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H+Na"	23.996494
"1061844"	185.75699	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2H+Na"	25.00377
"1266803"	565.300686	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+CH3OH+H"	33.033486
"391818"	1103.497558	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+K"	38.963158
"751844"	1635.764758	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+K"	38.963158
"1554994"	571.230358	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+K"	38.963158
"312166"	552.252417	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+H+K"	39.970434
"703494"	818.386017	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+H+K"	39.970434
"1452941"	286.118817	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H+K"	39.970434
"241543"	1106.568226	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+ACN+H"	42.033826
"1219719"	574.301026	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+ACN+H"	42.033826
"1202509"	287.654151	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+ACN+2H"	43.041102
"199388"	1109.50556	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+2Na-H"	44.97116
"637123"	1641.77276	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+2Na-H"	44.97116
"1139537"	577.23836	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2Na-H"	44.97116
"187087"	555.256418	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+2Na"	45.978436
"626399"	821.390018	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+2Na"	45.978436
"1129904"	289.122818	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2Na"	45.978436
"1410876"	193.084304	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H+2Na"	46.985712
"1439351"	579.279946	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H+HCOOH"	47.012746
"225766"	560.28944	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+3H2O+2H"	56.04448
"1522215"	593.33199	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+IsoProp+H"	61.06479
"422266"	563.243388	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+Na+K"	61.952376
"784739"	829.376988	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+Na+K"	61.952376
"1680336"	297.109788	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Na+K"	61.952376
"265760"	1128.550168	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+ACN+Na"	64.015768
"1240538"	596.282968	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+ACN+Na"	64.015768
"1725533"	596.306493	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+NH4+HCOOH"	64.039293
"1185420"	200.411618	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+3Na"	68.967654
"1656407"	601.261888	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Na+HCOOH"	68.994688
"165457"	1141.45344	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+2K-H"	76.91904
"603922"	1673.72064	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+2K-H"	76.91904
"1090620"	609.18624	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2K-H"	76.91904
"149629"	571.230358	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"2M+2K"	77.926316
"590281"	837.363958	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"3M+2K"	77.926316
"1074795"	305.096758	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2K"	77.926316
"1109098"	611.200792	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2K+H"	78.933592
"1348763"	611.288407	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+DMSO+H"	79.021207
"1018387"	615.327576	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2ACN+H"	83.060376
"1535051"	616.321208	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+IsoProp+Na+H"	84.054008
"1000771"	308.167426	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+2ACN+2H"	84.067652
"1600744"	617.235828	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+K+HCOOH"	84.968628
"1424212"	647.267338	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+H+CF3COOH"	115.000138
"1156686"	328.680701	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+3ACN+2H"	125.094202
"1706237"	664.293885	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+NH4+CF3COOH"	132.026685
"1636423"	669.24928	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+Na+CF3COOH"	136.98208
"1574262"	685.22322	"C08855"	"Calotropin"	"C29H40O9"	"532.2672"	"M+K+CF3COOH"	152.95602
"809004"	858.4249	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M"	0
"979255"	839.40651	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-H2O-H"	-19.01839
"69685"	571.275990666667	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M-3H"	-3.021828
"508151"	857.417624	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M-3H"	-3.021828
"887046"	285.134357333333	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-3H"	-3.021828
"4528"	857.417624	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M-2H"	-2.014552
"448463"	1286.630074	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M-2H"	-2.014552
"827361"	428.205174	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-2H"	-2.014552
"88447"	1715.842524	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M-H"	-1.007276
"529832"	2574.267424	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M-H"	-1.007276
"908363"	857.417624	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-H"	-1.007276
"59093"	1732.869071	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M-2H+NH4"	16.019271
"501209"	2591.293971	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M-2H+NH4"	16.019271
"876823"	874.444171	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-2H+NH4"	16.019271
"46430"	1737.824466	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M-2H+Na"	20.974666
"483557"	2596.249366	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M-2H+Na"	20.974666
"863546"	879.399566	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-2H+Na"	20.974666
"1633086"	879.399566	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Na-2H"	20.974666
"106698"	875.405963	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M-H+Cl"	33.962126
"545166"	1304.618413	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M-H+Cl"	33.962126
"939774"	446.193513	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-H+Cl"	33.962126
"277236"	1751.819202	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+Cl"	34.969402
"669657"	2610.244102	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+Cl"	34.969402
"1282063"	893.394302	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Cl"	34.969402
"28993"	1753.798406	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M-2H+K"	36.948606
"458711"	2612.223306	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M-2H+K"	36.948606
"839797"	895.373506	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-2H+K"	36.948606
"1561099"	895.373506	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+K-2H"	36.948606
"955543"	903.423094	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-H+HCOOH"	44.998194
"372666"	1761.848001	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+HCOOH-H"	44.998201
"356550"	1775.863651	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+Hac-H"	59.013851
"1505749"	917.438751	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Hac-H"	59.013851
"963083"	925.405051	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-H+NaCOOH"	66.980151
"113083"	893.394302	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+2Cl"	69.938804
"557017"	1322.606752	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+2Cl"	69.938804
"1025817"	464.181852	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2Cl"	69.938804
"1243209"	937.343785	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Br"	78.918885
"1307843"	939.399772	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Cl+HCOOH"	80.974872
"1324246"	961.381729	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Cl+NaCOOH"	102.956829
"914210"	971.410486	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M-H+CF3COOH"	112.985586
"1295293"	1007.387164	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Cl+CF3COOH"	148.962264
"1376734"	823.412224	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H-2H2O"	-35.012676
"1389858"	841.4222	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H-H2O"	-17.0027
"293918"	1717.857076	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+H"	1.007276
"688532"	2576.281976	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+H"	1.007276
"1365610"	859.432176	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H"	1.007276
"140688"	859.432176	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+2H"	2.014552
"579158"	1288.644626	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+2H"	2.014552
"1052326"	430.219726	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2H"	2.014552
"219378"	573.290542666667	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+3H"	3.021828
"656506"	859.432176	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+3H"	3.021828
"1176091"	287.148909333333	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+3H"	3.021828
"437175"	1734.883623	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+NH4"	18.033823
"798175"	2593.308523	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+NH4"	18.033823
"1692317"	876.458723	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+NH4"	18.033823
"342054"	867.9454495	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+H+NH4"	19.041099
"733018"	1297.1578995	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+H+NH4"	19.041099
"1489026"	438.7329995	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H+NH4"	19.041099
"406254"	1739.839018	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+Na"	22.989218
"766517"	2598.263918	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+Na"	22.989218
"1616803"	881.414118	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Na"	22.989218
"329271"	870.423147	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+H+Na"	23.996494
"721324"	1299.635597	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+H+Na"	23.996494
"1473076"	441.210697	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H+Na"	23.996494
"1061954"	294.476223333333	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2H+Na"	25.00377
"1266913"	891.458386	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+CH3OH+H"	33.033486
"392757"	1755.812958	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+K"	38.963158
"751590"	2614.237858	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+K"	38.963158
"1554372"	897.388058	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+K"	38.963158
"312640"	878.410117	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+H+K"	39.970434
"699230"	1307.622567	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+H+K"	39.970434
"1455235"	449.197667	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H+K"	39.970434
"242744"	1758.883626	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+ACN+H"	42.033826
"1216547"	900.458726	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+ACN+H"	42.033826
"1200431"	450.733001	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+ACN+2H"	43.041102
"196581"	1761.82096	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+2Na-H"	44.97116
"637229"	2620.24586	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+2Na-H"	44.97116
"1144626"	903.39606	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2Na-H"	44.97116
"184761"	881.414118	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+2Na"	45.978436
"626507"	1310.626568	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+2Na"	45.978436
"1127096"	452.201668	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2Na"	45.978436
"1409527"	301.803537333333	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H+2Na"	46.985712
"1438368"	905.437646	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H+HCOOH"	47.012746
"224783"	886.44714	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+3H2O+2H"	56.04448
"1522325"	919.48969	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+IsoProp+H"	61.06479
"422741"	889.401088	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+Na+K"	61.952376
"784601"	1318.613538	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+Na+K"	61.952376
"1680689"	460.188638	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Na+K"	61.952376
"266113"	1780.865568	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+ACN+Na"	64.015768
"1240285"	922.440668	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+ACN+Na"	64.015768
"1726006"	922.464193	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+NH4+HCOOH"	64.039293
"1185531"	309.130851333333	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+3Na"	68.967654
"1657611"	927.419588	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Na+HCOOH"	68.994688
"166660"	1793.76884	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+2K-H"	76.91904
"604032"	2652.19374	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+2K-H"	76.91904
"1089637"	935.34394	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2K-H"	76.91904
"149738"	897.388058	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"2M+2K"	77.926316
"589298"	1326.600508	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"3M+2K"	77.926316
"1071624"	468.175608	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2K"	77.926316
"1109208"	937.358492	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2K+H"	78.933592
"1346687"	937.446107	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+DMSO+H"	79.021207
"1017404"	941.485276	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2ACN+H"	83.060376
"1534432"	942.478908	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+IsoProp+Na+H"	84.054008
"1000517"	471.246276	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+2ACN+2H"	84.067652
"1601584"	943.393528	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+K+HCOOH"	84.968628
"1424322"	973.425038	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+H+CF3COOH"	115.000138
"1154609"	491.759551	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+3ACN+2H"	125.094202
"1706347"	990.451585	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+NH4+CF3COOH"	132.026685
"1636533"	995.40698	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+Na+CF3COOH"	136.98208
"1574372"	1011.38092	"C08856"	"Thevetin B"	"C42H66O18"	"858.4249"	"M+K+CF3COOH"	152.95602
"809114"	604.2884	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M"	0
"988114"	585.27001	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-H2O-H"	-19.01839
"76357"	401.851657333333	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M-3H"	-3.021828
"517010"	603.281124	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M-3H"	-3.021828
"891532"	200.422190666667	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-3H"	-3.021828
"12294"	603.281124	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M-2H"	-2.014552
"451854"	905.425324	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M-2H"	-2.014552
"829295"	301.136924	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-2H"	-2.014552
"92569"	1207.569524	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M-H"	-1.007276
"534081"	1811.857924	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M-H"	-1.007276
"909933"	603.281124	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-H"	-1.007276
"60299"	1224.596071	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M-2H+NH4"	16.019271
"496576"	1828.884471	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M-2H+NH4"	16.019271
"874379"	620.307671	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-2H+NH4"	16.019271
"44104"	1229.551466	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M-2H+Na"	20.974666
"486463"	1833.839866	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M-2H+Na"	20.974666
"863457"	625.263066	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-2H+Na"	20.974666
"1634010"	625.263066	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Na-2H"	20.974666
"109645"	621.269463	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M-H+Cl"	33.962126
"545276"	923.413663	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M-H+Cl"	33.962126
"941344"	319.125263	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-H+Cl"	33.962126
"281479"	1243.546202	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+Cl"	34.969402
"671955"	1847.834602	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+Cl"	34.969402
"1286547"	639.257802	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Cl"	34.969402
"30441"	1245.525406	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M-2H+K"	36.948606
"462102"	1849.813806	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M-2H+K"	36.948606
"842094"	641.237006	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-2H+K"	36.948606
"1566675"	641.237006	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+K-2H"	36.948606
"952373"	649.286594	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-H+HCOOH"	44.998194
"376385"	1253.575001	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+HCOOH-H"	44.998201
"360674"	1267.590651	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+Hac-H"	59.013851
"1506953"	663.302251	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Hac-H"	59.013851
"966474"	671.268551	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-H+NaCOOH"	66.980151
"118660"	639.257802	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+2Cl"	69.938804
"557128"	941.402002	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+2Cl"	69.938804
"1029208"	337.113602	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2Cl"	69.938804
"1246599"	683.207285	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Br"	78.918885
"1311233"	685.263272	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Cl+HCOOH"	80.974872
"1325450"	707.245229	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Cl+NaCOOH"	102.956829
"919787"	717.273986	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M-H+CF3COOH"	112.985586
"1297590"	753.250664	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Cl+CF3COOH"	148.962264
"1374657"	569.275724	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H-2H2O"	-35.012676
"1389968"	587.2857	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H-H2O"	-17.0027
"297308"	1209.584076	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+H"	1.007276
"691195"	1813.872476	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+H"	1.007276
"1366810"	605.295676	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H"	1.007276
"141352"	605.295676	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+2H"	2.014552
"580964"	907.439876	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+2H"	2.014552
"1052745"	303.151476	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2H"	2.014552
"219693"	403.866209333333	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+3H"	3.021828
"656617"	605.295676	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+3H"	3.021828
"1177787"	202.436742666667	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+3H"	3.021828
"439353"	1226.610623	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+NH4"	18.033823
"799742"	1830.899023	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+NH4"	18.033823
"1693156"	622.322223	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+NH4"	18.033823
"340702"	613.8089495	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+H+NH4"	19.041099
"738235"	915.9531495	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+H+NH4"	19.041099
"1491201"	311.6647495	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H+NH4"	19.041099
"407821"	1231.566018	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+Na"	22.989218
"767720"	1835.854418	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+Na"	22.989218
"1617157"	627.277618	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Na"	22.989218
"329748"	616.286647	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+H+Na"	23.996494
"722617"	918.430847	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+H+Na"	23.996494
"1475134"	314.142447	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H+Na"	23.996494
"1062064"	209.764056666667	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2H+Na"	25.00377
"1267023"	637.321886	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+CH3OH+H"	33.033486
"392693"	1247.539958	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+K"	38.963158
"753524"	1851.828358	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+K"	38.963158
"1554851"	643.251558	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+K"	38.963158
"313848"	624.273617	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+H+K"	39.970434
"705171"	926.417817	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+H+K"	39.970434
"1457898"	322.129417	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H+K"	39.970434
"242854"	1250.610626	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+ACN+H"	42.033826
"1216656"	646.322226	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+ACN+H"	42.033826
"1203818"	323.664751	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+ACN+2H"	43.041102
"199243"	1253.54796	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+2Na-H"	44.97116
"640259"	1857.83636	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+2Na-H"	44.97116
"1143763"	649.25956	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2Na-H"	44.97116
"187668"	627.277618	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+2Na"	45.978436
"627349"	929.421818	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+2Na"	45.978436
"1129758"	325.133418	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2Na"	45.978436
"1413162"	217.091370666667	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H+2Na"	46.985712
"1437384"	651.301146	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H+HCOOH"	47.012746
"225986"	632.31064	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+3H2O+2H"	56.04448
"1517329"	665.35319	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+IsoProp+H"	61.06479
"420663"	635.264588	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+Na+K"	61.952376
"782028"	937.408788	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+Na+K"	61.952376
"1679088"	333.120388	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Na+K"	61.952376
"267031"	1272.592568	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+ACN+Na"	64.015768
"1240389"	668.304168	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+ACN+Na"	64.015768
"1726849"	668.327693	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+NH4+HCOOH"	64.039293
"1187829"	224.418684666667	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+3Na"	68.967654
"1654441"	673.283088	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Na+HCOOH"	68.994688
"163488"	1285.49584	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+2K-H"	76.91904
"601955"	1889.78424	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+2K-H"	76.91904
"1093030"	681.20744	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2K-H"	76.91904
"148754"	643.251558	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"2M+2K"	77.926316
"593418"	945.395758	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"3M+2K"	77.926316
"1072825"	341.107358	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2K"	77.926316
"1102147"	683.221992	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2K+H"	78.933592
"1343512"	683.309607	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+DMSO+H"	79.021207
"1019216"	687.348776	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2ACN+H"	83.060376
"1538192"	688.342408	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+IsoProp+Na+H"	84.054008
"1004519"	344.178026	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+2ACN+2H"	84.067652
"1601692"	689.257028	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+K+HCOOH"	84.968628
"1428806"	719.288538	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+H+CF3COOH"	115.000138
"1162010"	364.691301	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+3ACN+2H"	125.094202
"1708644"	736.315085	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+NH4+CF3COOH"	132.026685
"1636641"	741.27048	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+Na+CF3COOH"	136.98208
"1571563"	757.24442	"C08857"	"Cerbertin"	"C32H44O11"	"604.2884"	"M+K+CF3COOH"	152.95602
"803756"	550.2778	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M"	0
"982756"	531.25941	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H2O-H"	-19.01839
"73186"	365.844590666667	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-3H"	-3.021828
"507278"	549.270524	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-3H"	-3.021828
"887266"	182.418657333333	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-3H"	-3.021828
"4749"	549.270524	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H"	-2.014552
"445403"	824.409424	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H"	-2.014552
"824300"	274.131624	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H"	-2.014552
"86478"	1099.548324	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-H"	-1.007276
"528227"	1649.826124	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-H"	-1.007276
"906031"	549.270524	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H"	-1.007276
"58218"	1116.574871	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H+NH4"	16.019271
"496687"	1666.852671	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H+NH4"	16.019271
"872302"	566.297071	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H+NH4"	16.019271
"45675"	1121.530266	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H+Na"	20.974666
"484504"	1671.808066	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H+Na"	20.974666
"861578"	571.252466	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H+Na"	20.974666
"1633181"	571.252466	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na-2H"	20.974666
"105826"	567.258863	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-H+Cl"	33.962126
"547209"	842.397763	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-H+Cl"	33.962126
"940361"	292.119963	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+Cl"	33.962126
"277458"	1135.525002	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Cl"	34.969402
"670970"	1685.802802	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+Cl"	34.969402
"1284470"	585.247202	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl"	34.969402
"30186"	1137.504206	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M-2H+K"	36.948606
"462212"	1687.782006	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M-2H+K"	36.948606
"838924"	587.226406	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-2H+K"	36.948606
"1566786"	587.226406	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K-2H"	36.948606
"951389"	595.275994	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+HCOOH"	44.998194
"375075"	1145.553801	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+HCOOH-H"	44.998201
"360053"	1159.569451	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Hac-H"	59.013851
"1505969"	609.291651	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Hac-H"	59.013851
"967677"	617.257951	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+NaCOOH"	66.980151
"117677"	585.247202	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2Cl"	69.938804
"557238"	860.386102	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2Cl"	69.938804
"1028225"	310.108302	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2Cl"	69.938804
"1246709"	629.196685	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Br"	78.918885
"1310250"	631.252672	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl+HCOOH"	80.974872
"1326654"	653.234629	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl+NaCOOH"	102.956829
"919897"	663.263386	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M-H+CF3COOH"	112.985586
"1295513"	699.240064	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Cl+CF3COOH"	148.962264
"1373673"	515.265124	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H-2H2O"	-35.012676
"1390078"	533.2751	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H-H2O"	-17.0027
"294138"	1101.562876	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H"	1.007276
"688753"	1651.840676	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H"	1.007276
"1365469"	551.285076	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H"	1.007276
"140909"	551.285076	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2H"	2.014552
"578643"	826.423976	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2H"	2.014552
"1052429"	276.146176	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2H"	2.014552
"218991"	367.859142666667	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+3H"	3.021828
"656727"	551.285076	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+3H"	3.021828
"1176678"	184.433209333333	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+3H"	3.021828
"438127"	1118.589423	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+NH4"	18.033823
"798757"	1668.867223	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+NH4"	18.033823
"1692172"	568.311623	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+NH4"	18.033823
"338626"	559.7983495	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H+NH4"	19.041099
"737614"	834.9372495	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H+NH4"	19.041099
"1488152"	284.6594495	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+NH4"	19.041099
"406474"	1123.544818	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Na"	22.989218
"766737"	1673.822618	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+Na"	22.989218
"1615931"	573.267018	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na"	22.989218
"328402"	562.276047	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H+Na"	23.996494
"720331"	837.414947	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H+Na"	23.996494
"1474029"	287.137147	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+Na"	23.996494
"1059987"	191.760523333333	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2H+Na"	25.00377
"1271752"	583.311286	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+CH3OH+H"	33.033486
"391789"	1139.518758	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+K"	38.963158
"752176"	1689.796558	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+K"	38.963158
"1554961"	589.240958	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K"	38.963158
"313594"	570.263017	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+H+K"	39.970434
"704554"	845.401917	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+H+K"	39.970434
"1458009"	295.124117	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+K"	39.970434
"244057"	1142.589426	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+ACN+H"	42.033826
"1216765"	592.311626	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+ACN+H"	42.033826
"1203564"	296.659451	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+ACN+2H"	43.041102
"200811"	1145.52676	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2Na-H"	44.97116
"640004"	1695.80456	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2Na-H"	44.97116
"1142779"	595.24896	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2Na-H"	44.97116
"186804"	573.267018	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2Na"	45.978436
"627216"	848.405918	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2Na"	45.978436
"1129504"	298.128118	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2Na"	45.978436
"1409749"	199.087837333333	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+2Na"	46.985712
"1440775"	597.290546	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+HCOOH"	47.012746
"229376"	578.30004	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+3H2O+2H"	56.04448
"1516346"	611.34259	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+IsoProp+H"	61.06479
"412751"	581.253988	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+Na+K"	61.952376
"782137"	856.392888	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+Na+K"	61.952376
"1680291"	306.115088	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na+K"	61.952376
"267061"	1164.571368	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+ACN+Na"	64.015768
"1240946"	614.293568	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+ACN+Na"	64.015768
"1725499"	614.317093	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+NH4+HCOOH"	64.039293
"1184659"	206.415151333333	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+3Na"	68.967654
"1652363"	619.272488	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na+HCOOH"	68.994688
"162506"	1177.47464	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2K-H"	76.91904
"603161"	1727.75244	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2K-H"	76.91904
"1095328"	627.19684	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2K-H"	76.91904
"153968"	589.240958	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"2M+2K"	77.926316
"590612"	864.379858	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"3M+2K"	77.926316
"1072935"	314.102058	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2K"	77.926316
"1101770"	629.211392	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2K+H"	78.933592
"1343622"	629.299007	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+DMSO+H"	79.021207
"1015436"	633.338176	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2ACN+H"	83.060376
"1535748"	634.331808	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+IsoProp+Na+H"	84.054008
"1002197"	317.172726	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+2ACN+2H"	84.067652
"1601802"	635.246428	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K+HCOOH"	84.968628
"1427821"	665.277938	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+H+CF3COOH"	115.000138
"1162490"	337.686001	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+3ACN+2H"	125.094202
"1708754"	682.304485	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+NH4+CF3COOH"	132.026685
"1636750"	687.25988	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+Na+CF3COOH"	136.98208
"1571553"	703.23382	"C08858"	"Convallatoxin;Strophanthidin 3-O-alpha-L-rhamnoside"	"C29H42O10"	"550.2778"	"M+K+CF3COOH"	152.95602
"803865"	548.2985	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M"	0
"985053"	529.28011	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-H2O-H"	-19.01839
"70016"	364.525057333333	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M-3H"	-3.021828
"507388"	547.291224	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M-3H"	-3.021828
"887376"	181.758890666667	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-3H"	-3.021828
"4859"	547.291224	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M-2H"	-2.014552
"445513"	821.440474	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M-2H"	-2.014552
"827691"	273.141974	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-2H"	-2.014552
"87680"	1095.589724	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M-H"	-1.007276
"527244"	1643.888224	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M-H"	-1.007276
"906141"	547.291224	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-H"	-1.007276
"56141"	1112.616271	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M-2H+NH4"	16.019271
"496796"	1660.914771	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M-2H+NH4"	16.019271
"872412"	564.317771	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-2H+NH4"	16.019271
"46151"	1117.571666	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M-2H+Na"	20.974666
"484614"	1665.870166	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M-2H+Na"	20.974666
"860594"	569.273166	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-2H+Na"	20.974666
"1632319"	569.273166	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Na-2H"	20.974666
"104842"	565.279563	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M-H+Cl"	33.962126
"545495"	839.428813	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M-H+Cl"	33.962126
"937918"	291.130313	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-H+Cl"	33.962126
"277567"	1131.566402	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+Cl"	34.969402
"667800"	1679.864902	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+Cl"	34.969402
"1282393"	583.267902	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Cl"	34.969402
"28959"	1133.545606	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M-2H+K"	36.948606
"461229"	1681.844106	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M-2H+K"	36.948606
"844137"	585.247106	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-2H+K"	36.948606
"1569082"	585.247106	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+K-2H"	36.948606
"957700"	593.296694	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-H+HCOOH"	44.998194
"375186"	1141.595201	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+HCOOH-H"	44.998201
"359434"	1155.610851	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+Hac-H"	59.013851
"1504986"	607.312351	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Hac-H"	59.013851
"968880"	615.278651	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-H+NaCOOH"	66.980151
"119974"	583.267902	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+2Cl"	69.938804
"559535"	857.417152	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+2Cl"	69.938804
"1031615"	309.118652	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2Cl"	69.938804
"1251193"	627.217385	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Br"	78.918885
"1316921"	629.273372	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Cl+HCOOH"	80.974872
"1333324"	651.255329	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Cl+NaCOOH"	102.956829
"923288"	661.284086	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M-H+CF3COOH"	112.985586
"1299997"	697.260764	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Cl+CF3COOH"	148.962264
"1374877"	513.285824	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H-2H2O"	-35.012676
"1392375"	531.2958	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H-H2O"	-17.0027
"294248"	1097.604276	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+H"	1.007276
"688862"	1645.902776	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+H"	1.007276
"1360837"	549.305776	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H"	1.007276
"139193"	549.305776	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+2H"	2.014552
"578754"	823.455026	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+2H"	2.014552
"1047552"	275.156526	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2H"	2.014552
"217639"	366.539609333333	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+3H"	3.021828
"652826"	549.305776	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+3H"	3.021828
"1173139"	183.773442666667	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+3H"	3.021828
"430944"	1114.630823	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+NH4"	18.033823
"793032"	1662.929323	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+NH4"	18.033823
"1688269"	566.332323	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+NH4"	18.033823
"337640"	557.8190495	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+H+NH4"	19.041099
"737361"	831.9682995	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+H+NH4"	19.041099
"1490447"	283.6697995	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H+NH4"	19.041099
"405852"	1119.586218	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+Na"	22.989218
"768675"	1667.884718	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+Na"	22.989218
"1617013"	571.287718	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Na"	22.989218
"328876"	560.296747	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+H+Na"	23.996494
"720319"	834.445997	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+H+Na"	23.996494
"1475112"	286.147497	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H+Na"	23.996494
"1059004"	191.100756666667	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2H+Na"	25.00377
"1267243"	581.331986	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+CH3OH+H"	33.033486
"391652"	1135.560158	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+K"	38.963158
"752650"	1683.858658	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+K"	38.963158
"1554099"	587.261658	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+K"	38.963158
"313830"	568.283717	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+H+K"	39.970434
"705393"	842.432967	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+H+K"	39.970434
"1457388"	294.134467	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H+K"	39.970434
"244167"	1138.630826	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+ACN+H"	42.033826
"1215782"	590.332326	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+ACN+H"	42.033826
"1202945"	295.669801	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+ACN+2H"	43.041102
"200557"	1141.56816	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+2Na-H"	44.97116
"640478"	1689.86666	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+2Na-H"	44.97116
"1141796"	593.26966	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2Na-H"	44.97116
"187278"	571.287718	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+2Na"	45.978436
"626475"	845.436968	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+2Na"	45.978436
"1130344"	297.138468	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2Na"	45.978436
"1410952"	198.428070666667	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H+2Na"	46.985712
"1441978"	595.311246	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H+HCOOH"	47.012746
"229486"	576.32074	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+3H2O+2H"	56.04448
"1516456"	609.36329	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+IsoProp+H"	61.06479
"416143"	579.274688	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+Na+K"	61.952376
"782976"	853.423938	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+Na+K"	61.952376
"1678216"	305.125438	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Na+K"	61.952376
"264372"	1160.612768	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+ACN+Na"	64.015768
"1241288"	612.314268	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+ACN+Na"	64.015768
"1727797"	612.337793	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+NH4+HCOOH"	64.039293
"1185863"	205.755384666667	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+3Na"	68.967654
"1654660"	617.293188	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Na+HCOOH"	68.994688
"165532"	1173.51604	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+2K-H"	76.91904
"611901"	1721.81454	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+2K-H"	76.91904
"1098355"	625.21754	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2K-H"	76.91904
"156268"	587.261658	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"2M+2K"	77.926316
"594003"	861.410908	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"3M+2K"	77.926316
"1075233"	313.112408	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2K"	77.926316
"1106257"	627.232092	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2K+H"	78.933592
"1342642"	627.319707	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+DMSO+H"	79.021207
"1016640"	631.358876	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2ACN+H"	83.060376
"1534765"	632.352508	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+IsoProp+Na+H"	84.054008
"1001943"	316.183076	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+2ACN+2H"	84.067652
"1600818"	633.267128	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+K+HCOOH"	84.968628
"1428664"	663.298638	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+H+CF3COOH"	115.000138
"1161503"	336.696351	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+3ACN+2H"	125.094202
"1707770"	680.325185	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+NH4+CF3COOH"	132.026685
"1636131"	685.28058	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+Na+CF3COOH"	136.98208
"1571542"	701.25452	"C08859"	"Cymarin;Strophanthidin 3-O-beta-D-cymaroside"	"C30H44O9"	"548.2985"	"M+K+CF3COOH"	152.95602
"806166"	546.2829	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M"	0
"976418"	527.26451	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-H2O-H"	-19.01839
"66846"	363.181324	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M-3H"	-3.021828
"507499"	545.275624	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M-3H"	-3.021828
"887489"	181.087024	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-3H"	-3.021828
"8250"	545.275624	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M-2H"	-2.014552
"445623"	818.417074	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M-2H"	-2.014552
"824520"	272.134174	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-2H"	-2.014552
"86703"	1091.558524	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M-H"	-1.007276
"526263"	1637.841424	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M-H"	-1.007276
"905158"	545.275624	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-H"	-1.007276
"52972"	1108.585071	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M-2H+NH4"	16.019271
"493627"	1654.867971	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M-2H+NH4"	16.019271
"876899"	562.302171	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-2H+NH4"	16.019271
"42613"	1113.540466	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M-2H+Na"	20.974666
"485092"	1659.823366	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M-2H+Na"	20.974666
"862774"	567.257566	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-2H+Na"	20.974666
"1630612"	567.257566	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Na-2H"	20.974666
"103858"	563.263963	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M-H+Cl"	33.962126
"539045"	836.405413	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M-H+Cl"	33.962126
"938027"	290.122513	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-H+Cl"	33.962126
"278770"	1127.535202	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+Cl"	34.969402
"670099"	1673.818102	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+Cl"	34.969402
"1282501"	581.252302	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Cl"	34.969402
"19225"	1129.514406	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M-2H+K"	36.948606
"466813"	1675.797306	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M-2H+K"	36.948606
"844615"	583.231506	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-2H+K"	36.948606
"1568834"	583.231506	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+K-2H"	36.948606
"954895"	591.281094	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-H+HCOOH"	44.998194
"372019"	1137.564001	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+HCOOH-H"	44.998201
"356997"	1151.579651	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+Hac-H"	59.013851
"1503641"	605.296751	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Hac-H"	59.013851
"967898"	613.263051	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-H+NaCOOH"	66.980151
"121179"	581.252302	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+2Cl"	69.938804
"560375"	854.393752	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+2Cl"	69.938804
"1030631"	308.110852	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2Cl"	69.938804
"1251303"	625.201785	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Br"	78.918885
"1312657"	627.257772	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Cl+HCOOH"	80.974872
"1329061"	649.239729	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Cl+NaCOOH"	102.956829
"920120"	659.268486	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M-H+CF3COOH"	112.985586
"1299013"	695.245164	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Cl+CF3COOH"	148.962264
"1374990"	511.270224	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H-2H2O"	-35.012676
"1389205"	529.2802	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H-H2O"	-17.0027
"287797"	1093.573076	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+H"	1.007276
"685689"	1639.855976	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+H"	1.007276
"1357666"	547.290176	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H"	1.007276
"134928"	547.290176	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+2H"	2.014552
"572302"	820.431626	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+2H"	2.014552
"1046567"	274.148726	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2H"	2.014552
"216657"	365.195876	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+3H"	3.021828
"654030"	547.290176	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+3H"	3.021828
"1175072"	183.101576	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+3H"	3.021828
"435064"	1110.599623	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+NH4"	18.033823
"795329"	1656.882523	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+NH4"	18.033823
"1691663"	564.316723	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+NH4"	18.033823
"343224"	555.8034495	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+H+NH4"	19.041099
"736014"	828.9448995	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+H+NH4"	19.041099
"1489473"	282.6619995	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H+NH4"	19.041099
"402685"	1115.555018	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+Na"	22.989218
"765864"	1661.837918	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+Na"	22.989218
"1613964"	569.272118	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Na"	22.989218
"327279"	558.281147	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+H+Na"	23.996494
"722295"	831.422597	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+H+Na"	23.996494
"1473519"	285.139697	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H+Na"	23.996494
"1058017"	190.42889	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2H+Na"	25.00377
"1262983"	579.316386	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+CH3OH+H"	33.033486
"383743"	1131.528958	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+K"	38.963158
"743646"	1677.811858	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+K"	38.963158
"1551165"	585.246058	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+K"	38.963158
"311620"	566.268117	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+H+K"	39.970434
"705867"	839.409567	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+H+K"	39.970434
"1460744"	293.126667	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H+K"	39.970434
"249017"	1134.599626	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+ACN+H"	42.033826
"1219172"	588.316726	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+ACN+H"	42.033826
"1204148"	294.662001	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+ACN+2H"	43.041102
"201761"	1137.53696	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+2Na-H"	44.97116
"642048"	1683.81986	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+2Na-H"	44.97116
"1144825"	591.25406	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2Na-H"	44.97116
"187752"	569.272118	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+2Na"	45.978436
"626582"	842.413568	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+2Na"	45.978436
"1129359"	296.130668	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2Na"	45.978436
"1409963"	197.756204	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H+2Na"	46.985712
"1433341"	593.295646	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H+HCOOH"	47.012746
"229598"	574.30514	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+3H2O+2H"	56.04448
"1522768"	607.34769	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+IsoProp+H"	61.06479
"419534"	577.259088	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+Na+K"	61.952376
"782722"	850.400538	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+Na+K"	61.952376
"1680764"	304.117638	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Na+K"	61.952376
"266440"	1156.581568	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+ACN+Na"	64.015768
"1239386"	610.298668	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+ACN+Na"	64.015768
"1722075"	610.322193	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+NH4+HCOOH"	64.039293
"1186701"	205.083518	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+3Na"	68.967654
"1655499"	615.277588	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Na+HCOOH"	68.994688
"166006"	1169.48484	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+2K-H"	76.91904
"604112"	1715.76774	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+2K-H"	76.91904
"1086800"	623.20194	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2K-H"	76.91904
"149086"	585.246058	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"2M+2K"	77.926316
"587915"	858.387508	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"3M+2K"	77.926316
"1078624"	312.104608	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2K"	77.926316
"1106365"	625.216492	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2K+H"	78.933592
"1343479"	625.304107	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+DMSO+H"	79.021207
"1013466"	629.343276	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2ACN+H"	83.060376
"1534875"	630.336908	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+IsoProp+Na+H"	84.054008
"998769"	315.175276	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+2ACN+2H"	84.067652
"1599105"	631.251528	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+K+HCOOH"	84.968628
"1426588"	661.283038	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+H+CF3COOH"	115.000138
"1157237"	335.688551	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+3ACN+2H"	125.094202
"1708975"	678.309585	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+NH4+CF3COOH"	132.026685
"1639161"	683.26498	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+Na+CF3COOH"	136.98208
"1571895"	699.23892	"C08860"	"Decoside;Decogenin 3-O-alpha-L-oleandroside"	"C30H42O9"	"546.2829"	"M+K+CF3COOH"	152.95602
"802627"	796.4245	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M"	0
"976525"	777.40611	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-H2O-H"	-19.01839
"65133"	529.942390666667	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M-3H"	-3.021828
"506516"	795.417224	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M-3H"	-3.021828
"884683"	264.467557333333	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-3H"	-3.021828
"3986"	795.417224	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M-2H"	-2.014552
"441359"	1193.629474	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M-2H"	-2.014552
"823537"	397.204974	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-2H"	-2.014552
"88999"	1591.841724	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M-H"	-1.007276
"523093"	2388.266224	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M-H"	-1.007276
"907454"	795.417224	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-H"	-1.007276
"53082"	1608.868271	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M-2H+NH4"	16.019271
"493737"	2405.292771	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M-2H+NH4"	16.019271
"877738"	812.443771	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-2H+NH4"	16.019271
"46003"	1613.823666	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M-2H+Na"	20.974666
"486706"	2410.248166	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M-2H+Na"	20.974666
"863008"	817.399166	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-2H+Na"	20.974666
"1631816"	817.399166	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Na-2H"	20.974666
"105062"	813.405563	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M-H+Cl"	33.962126
"542435"	1211.617813	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M-H+Cl"	33.962126
"938867"	415.193313	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-H+Cl"	33.962126
"282039"	1627.818402	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+Cl"	34.969402
"673489"	2424.242902	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+Cl"	34.969402
"1285891"	831.393902	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Cl"	34.969402
"26261"	1629.797606	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M-2H+K"	36.948606
"465828"	2426.222106	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M-2H+K"	36.948606
"847277"	833.373106	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-2H+K"	36.948606
"1568216"	833.373106	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+K-2H"	36.948606
"953547"	841.422694	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-H+HCOOH"	44.998194
"373222"	1637.847201	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+HCOOH-H"	44.998201
"357106"	1651.862851	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+Hac-H"	59.013851
"1503751"	855.438351	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Hac-H"	59.013851
"965822"	863.404651	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-H+NaCOOH"	66.980151
"122019"	831.393902	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+2Cl"	69.938804
"561942"	1229.606152	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+2Cl"	69.938804
"1031834"	433.181652	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2Cl"	69.938804
"1251413"	875.343385	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Br"	78.918885
"1318234"	877.399372	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Cl+HCOOH"	80.974872
"1331357"	899.381329	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Cl+NaCOOH"	102.956829
"922416"	909.410086	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M-H+CF3COOH"	112.985586
"1299124"	945.386764	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Cl+CF3COOH"	148.962264
"1375098"	761.411824	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H-2H2O"	-35.012676
"1390408"	779.4218	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H-H2O"	-17.0027
"287907"	1593.856276	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+H"	1.007276
"687985"	2390.280776	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+H"	1.007276
"1357773"	797.431776	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H"	1.007276
"133944"	797.431776	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+2H"	2.014552
"574596"	1195.644026	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+2H"	2.014552
"1042668"	399.219526	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2H"	2.014552
"215672"	531.956942666667	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+3H"	3.021828
"655233"	797.431776	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+3H"	3.021828
"1175546"	266.482109333333	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+3H"	3.021828
"436997"	1610.882823	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+NH4"	18.033823
"792158"	2407.307323	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+NH4"	18.033823
"1690676"	814.458323	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+NH4"	18.033823
"341513"	805.9450495	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+H+NH4"	19.041099
"735395"	1204.1572995	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+H+NH4"	19.041099
"1491405"	407.7327995	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H+NH4"	19.041099
"403888"	1615.838218	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+Na"	22.989218
"764882"	2412.262718	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+Na"	22.989218
"1612981"	819.413718	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Na"	22.989218
"328119"	808.422747	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+H+Na"	23.996494
"719811"	1206.634997	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+H+Na"	23.996494
"1473631"	410.210497	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H+Na"	23.996494
"1057034"	273.809423333333	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2H+Na"	25.00377
"1267468"	829.457986	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+CH3OH+H"	33.033486
"384947"	1631.812158	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+K"	38.963158
"749224"	2428.236658	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+K"	38.963158
"1555208"	835.387658	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+K"	38.963158
"308448"	816.409717	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+H+K"	39.970434
"706341"	1214.621967	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+H+K"	39.970434
"1461101"	418.197467	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H+K"	39.970434
"248397"	1634.882826	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+ACN+H"	42.033826
"1221468"	838.458326	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+ACN+H"	42.033826
"1207174"	419.732801	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+ACN+2H"	43.041102
"202600"	1637.82016	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+2Na-H"	44.97116
"641427"	2434.24466	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+2Na-H"	44.97116
"1144935"	841.39566	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2Na-H"	44.97116
"186769"	819.413718	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+2Na"	45.978436
"625599"	1217.625968	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+2Na"	45.978436
"1128984"	421.201468	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2Na"	45.978436
"1408980"	281.136737333333	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H+2Na"	46.985712
"1443294"	843.437246	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H+HCOOH"	47.012746
"228616"	824.44674	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+3H2O+2H"	56.04448
"1522147"	857.48929	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+IsoProp+H"	61.06479
"423292"	827.400688	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+Na+K"	61.952376
"784901"	1225.612938	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+Na+K"	61.952376
"1680266"	429.188438	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Na+K"	61.952376
"266629"	1656.864768	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+ACN+Na"	64.015768
"1237672"	860.440268	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+ACN+Na"	64.015768
"1727531"	860.463793	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+NH4+HCOOH"	64.039293
"1193010"	288.464051333333	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+3Na"	68.967654
"1658160"	865.419188	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Na+HCOOH"	68.994688
"166481"	1669.76804	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+2K-H"	76.91904
"605315"	2466.19254	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+2K-H"	76.91904
"1088004"	873.34354	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2K-H"	76.91904
"151018"	835.387658	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"2M+2K"	77.926316
"586568"	1233.599908	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"3M+2K"	77.926316
"1080558"	437.175408	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2K"	77.926316
"1105381"	875.358092	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2K+H"	78.933592
"1342860"	875.445707	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+DMSO+H"	79.021207
"1013577"	879.484876	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2ACN+H"	83.060376
"1533892"	880.478508	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+IsoProp+Na+H"	84.054008
"1001430"	440.246076	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+2ACN+2H"	84.067652
"1599214"	881.393128	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+K+HCOOH"	84.968628
"1428518"	911.424638	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+H+CF3COOH"	115.000138
"1158441"	460.759351	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+3ACN+2H"	125.094202
"1706899"	928.451185	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+NH4+CF3COOH"	132.026685
"1638178"	933.40658	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+Na+CF3COOH"	136.98208
"1572369"	949.38052	"C08861"	"Diginatin;Diginatigenin 3-O-tridigitoxoside"	"C41H64O15"	"796.4245"	"M+K+CF3COOH"	152.95602
"803103"	712.367	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M"	0
"983196"	693.34861	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-H2O-H"	-19.01839
"65973"	473.904057333333	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M-3H"	-3.021828
"506626"	711.359724	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M-3H"	-3.021828
"884429"	236.448390666667	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-3H"	-3.021828
"3003"	711.359724	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M-2H"	-2.014552
"443656"	1067.543224	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M-2H"	-2.014552
"823647"	355.176224	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-2H"	-2.014552
"89109"	1423.726724	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M-H"	-1.007276
"528669"	2136.093724	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M-H"	-1.007276
"907564"	711.359724	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-H"	-1.007276
"53192"	1440.753271	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M-2H+NH4"	16.019271
"493847"	2153.120271	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M-2H+NH4"	16.019271
"874932"	728.386271	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-2H+NH4"	16.019271
"42833"	1445.708666	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M-2H+Na"	20.974666
"482395"	2158.075666	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M-2H+Na"	20.974666
"862388"	733.341666	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-2H+Na"	20.974666
"1629740"	733.341666	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Na-2H"	20.974666
"104080"	729.348063	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M-H+Cl"	33.962126
"541452"	1085.531563	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M-H+Cl"	33.962126
"938246"	373.164563	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-H+Cl"	33.962126
"281786"	1459.703402	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+Cl"	34.969402
"672507"	2172.070402	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+Cl"	34.969402
"1286003"	747.336402	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Cl"	34.969402
"29651"	1461.682606	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M-2H+K"	36.948606
"464845"	2174.049606	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M-2H+K"	36.948606
"847386"	749.315606	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-2H+K"	36.948606
"1570511"	749.315606	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+K-2H"	36.948606
"955844"	757.365194	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-H+HCOOH"	44.998194
"373329"	1469.732201	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+HCOOH-H"	44.998201
"356123"	1483.747851	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+Hac-H"	59.013851
"1503861"	771.380851	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Hac-H"	59.013851
"967025"	779.347151	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-H+NaCOOH"	66.980151
"123222"	747.336402	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+2Cl"	69.938804
"562052"	1103.519902	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+2Cl"	69.938804
"1031944"	391.152902	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2Cl"	69.938804
"1251523"	791.285885	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Br"	78.918885
"1318344"	793.341872	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Cl+HCOOH"	80.974872
"1330375"	815.323829	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Cl+NaCOOH"	102.956829
"923620"	825.352586	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M-H+CF3COOH"	112.985586
"1300327"	861.329264	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Cl+CF3COOH"	148.962264
"1375208"	677.354324	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H-2H2O"	-35.012676
"1393798"	695.3643	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H-H2O"	-17.0027
"288017"	1425.741276	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+H"	1.007276
"687002"	2138.108276	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+H"	1.007276
"1357883"	713.374276	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H"	1.007276
"135147"	713.374276	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+2H"	2.014552
"574706"	1069.557776	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+2H"	2.014552
"1042413"	357.190776	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2H"	2.014552
"215783"	475.918609333333	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+3H"	3.021828
"658747"	713.374276	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+3H"	3.021828
"1175656"	238.462942666667	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+3H"	3.021828
"434556"	1442.767823	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+NH4"	18.033823
"794456"	2155.134823	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+NH4"	18.033823
"1689693"	730.400823	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+NH4"	18.033823
"335054"	721.8875495	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+H+NH4"	19.041099
"733683"	1078.0710495	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+H+NH4"	19.041099
"1489691"	365.7040495	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H+NH4"	19.041099
"402905"	1447.723218	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+Na"	22.989218
"763900"	2160.090218	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+Na"	22.989218
"1613092"	735.356218	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Na"	22.989218
"327500"	724.365247	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+H+Na"	23.996494
"718828"	1080.548747	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+H+Na"	23.996494
"1473740"	368.181747	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H+Na"	23.996494
"1056052"	245.790256666667	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2H+Na"	25.00377
"1266484"	745.400486	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+CH3OH+H"	33.033486
"380684"	1463.697158	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+K"	38.963158
"750427"	2176.064158	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+K"	38.963158
"1554302"	751.330158	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+K"	38.963158
"310746"	732.352217	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+H+K"	39.970434
"706898"	1088.535717	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+H+K"	39.970434
"1460635"	376.168717	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H+K"	39.970434
"249601"	1466.767826	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+ACN+H"	42.033826
"1219392"	754.400826	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+ACN+H"	42.033826
"1205827"	377.704051	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+ACN+2H"	43.041102
"203444"	1469.70516	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+2Na-H"	44.97116
"641904"	2182.07216	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+2Na-H"	44.97116
"1144680"	757.33816	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2Na-H"	44.97116
"186512"	735.356218	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+2Na"	45.978436
"624250"	1091.539718	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+2Na"	45.978436
"1128483"	379.172718	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2Na"	45.978436
"1405810"	253.117570666667	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H+2Na"	46.985712
"1441217"	759.379746	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H+HCOOH"	47.012746
"226539"	740.38924	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+3H2O+2H"	56.04448
"1524038"	773.43179	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+IsoProp+H"	61.06479
"419756"	743.343188	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+Na+K"	61.952376
"784764"	1099.526688	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+Na+K"	61.952376
"1680007"	387.159688	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Na+K"	61.952376
"266651"	1488.749768	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+ACN+Na"	64.015768
"1240333"	776.382768	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+ACN+Na"	64.015768
"1727520"	776.406293	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+NH4+HCOOH"	64.039293
"1192752"	260.444884666667	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+3Na"	68.967654
"1663378"	781.361688	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Na+HCOOH"	68.994688
"166228"	1501.65304	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+2K-H"	76.91904
"604697"	2214.02004	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+2K-H"	76.91904
"1088115"	789.28604	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2K-H"	76.91904
"153680"	751.330158	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"2M+2K"	77.926316
"586677"	1107.513658	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"3M+2K"	77.926316
"1081400"	395.146658	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2K"	77.926316
"1104399"	791.300592	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2K+H"	78.933592
"1344063"	791.388207	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+DMSO+H"	79.021207
"1013689"	795.427376	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2ACN+H"	83.060376
"1535095"	796.421008	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+IsoProp+Na+H"	84.054008
"1002635"	398.217326	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+2ACN+2H"	84.067652
"1600418"	797.335628	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+K+HCOOH"	84.968628
"1428994"	827.367138	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+H+CF3COOH"	115.000138
"1159643"	418.730601	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+3ACN+2H"	125.094202
"1708101"	844.393685	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+NH4+CF3COOH"	132.026685
"1636465"	849.34908	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+Na+CF3COOH"	136.98208
"1571628"	865.32302	"C08862"	"Digitalin;Gitoxigenin 3-O-glucosyldigitaloside"	"C36H56O14"	"712.367"	"M+K+CF3COOH"	152.95602
"801874"	534.3193	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M"	0
"978931"	515.30091	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-H2O-H"	-19.01839
"66082"	355.205590666667	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M-3H"	-3.021828
"506736"	533.312024	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M-3H"	-3.021828
"882352"	177.099157333333	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-3H"	-3.021828
"2019"	533.312024	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M-2H"	-2.014552
"443766"	800.471674	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M-2H"	-2.014552
"827037"	266.152374	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-2H"	-2.014552
"91042"	1067.631324	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M-H"	-1.007276
"528779"	1601.950624	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M-H"	-1.007276
"903299"	533.312024	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-H"	-1.007276
"53302"	1084.657871	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M-2H+NH4"	16.019271
"490677"	1618.977171	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M-2H+NH4"	16.019271
"871762"	550.338571	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-2H+NH4"	16.019271
"42943"	1089.613266	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M-2H+Na"	20.974666
"480315"	1623.932566	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M-2H+Na"	20.974666
"861404"	555.293966	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-2H+Na"	20.974666
"1627662"	555.293966	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Na-2H"	20.974666
"100910"	551.300363	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M-H+Cl"	33.962126
"538282"	818.460013	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M-H+Cl"	33.962126
"938357"	284.140713	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-H+Cl"	33.962126
"280193"	1103.608002	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+Cl"	34.969402
"674319"	1637.927302	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+Cl"	34.969402
"1287206"	569.288702	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Cl"	34.969402
"30451"	1105.587206	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M-2H+K"	36.948606
"467142"	1639.906506	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M-2H+K"	36.948606
"843853"	571.267906	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-2H+K"	36.948606
"1568434"	571.267906	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+K-2H"	36.948606
"954132"	579.317494	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-H+HCOOH"	44.998194
"371982"	1113.636801	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+HCOOH-H"	44.998201
"355139"	1127.652451	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+Hac-H"	59.013851
"1503970"	593.333151	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Hac-H"	59.013851
"967135"	601.299451	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-H+NaCOOH"	66.980151
"120417"	569.288702	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+2Cl"	69.938804
"562163"	836.448352	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+2Cl"	69.938804
"1028774"	302.129052	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2Cl"	69.938804
"1253818"	613.238185	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Br"	78.918885
"1315174"	615.294172	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Cl+HCOOH"	80.974872
"1330484"	637.276129	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Cl+NaCOOH"	102.956829
"924459"	647.304886	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M-H+CF3COOH"	112.985586
"1300437"	683.281564	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Cl+CF3COOH"	148.962264
"1375318"	499.306624	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H-2H2O"	-35.012676
"1393908"	517.3166	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H-H2O"	-17.0027
"288127"	1069.645876	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+H"	1.007276
"688205"	1603.965176	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+H"	1.007276
"1357993"	535.326576	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H"	1.007276
"134163"	535.326576	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+2H"	2.014552
"575909"	802.486226	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+2H"	2.014552
"1043617"	268.166926	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2H"	2.014552
"213705"	357.220142666667	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+3H"	3.021828
"652172"	535.326576	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+3H"	3.021828
"1175645"	179.113709333333	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+3H"	3.021828
"436488"	1086.672423	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+NH4"	18.033823
"791647"	1620.991723	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+NH4"	18.033823
"1689803"	552.353123	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+NH4"	18.033823
"334069"	543.8398495	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+H+NH4"	19.041099
"734886"	810.9994995	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+H+NH4"	19.041099
"1489802"	276.6801995	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H+NH4"	19.041099
"404109"	1091.627818	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+Na"	22.989218
"767290"	1625.947118	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+Na"	22.989218
"1611015"	557.308518	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Na"	22.989218
"326516"	546.317547	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+H+Na"	23.996494
"718574"	813.477197	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+H+Na"	23.996494
"1472757"	279.157897	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H+Na"	23.996494
"1059442"	186.441023333333	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2H+Na"	25.00377
"1261126"	567.352786	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+CH3OH+H"	33.033486
"379701"	1107.601758	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+K"	38.963158
"745070"	1641.921058	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+K"	38.963158
"1552956"	573.282458	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+K"	38.963158
"310857"	554.304517	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+H+K"	39.970434
"704373"	821.464167	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+H+K"	39.970434
"1456007"	287.144867	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H+K"	39.970434
"249957"	1110.672426	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+ACN+H"	42.033826
"1222053"	576.353126	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+ACN+H"	42.033826
"1207760"	288.680201	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+ACN+2H"	43.041102
"202701"	1113.60976	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+2Na-H"	44.97116
"641285"	1647.92906	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+2Na-H"	44.97116
"1144669"	579.29046	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2Na-H"	44.97116
"185528"	557.308518	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+2Na"	45.978436
"623267"	824.468168	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+2Na"	45.978436
"1129325"	290.148868	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2Na"	45.978436
"1409931"	193.768337333333	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H+2Na"	46.985712
"1435860"	581.332046	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H+HCOOH"	47.012746
"225556"	562.34154	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+3H2O+2H"	56.04448
"1523467"	595.38409	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+IsoProp+H"	61.06479
"419866"	565.295488	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+Na+K"	61.952376
"785118"	832.455138	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+Na+K"	61.952376
"1680725"	298.135838	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Na+K"	61.952376
"265426"	1132.654368	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+ACN+Na"	64.015768
"1238984"	598.335068	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+ACN+Na"	64.015768
"1727506"	598.358593	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+NH4+HCOOH"	64.039293
"1193225"	201.095651333333	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+3Na"	68.967654
"1663487"	603.313988	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Na+HCOOH"	68.994688
"166336"	1145.55764	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+2K-H"	76.91904
"604807"	1679.87694	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+2K-H"	76.91904
"1087129"	611.23834	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2K-H"	76.91904
"150510"	573.282458	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"2M+2K"	77.926316
"584601"	840.442108	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"3M+2K"	77.926316
"1080780"	306.122808	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2K"	77.926316
"1104509"	613.252892	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2K+H"	78.933592
"1341987"	613.340507	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+DMSO+H"	79.021207
"1012706"	617.379676	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2ACN+H"	83.060376
"1536298"	618.373308	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+IsoProp+Na+H"	84.054008
"1002745"	309.193476	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+2ACN+2H"	84.067652
"1600894"	619.287928	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+K+HCOOH"	84.968628
"1426185"	649.319438	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+H+CF3COOH"	115.000138
"1157566"	329.706751	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+3ACN+2H"	125.094202
"1709304"	666.345985	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+NH4+CF3COOH"	132.026685
"1635844"	671.30138	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+Na+CF3COOH"	136.98208
"1571617"	687.27532	"C08863"	"Divaricoside;Divaside;Sarmentogenin 3-O-alpha-L-oleandroside"	"C30H46O8"	"534.3193"	"M+K+CF3COOH"	152.95602
"802106"	534.3193	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M"	0
"977948"	515.30091	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-H2O-H"	-19.01839
"65463"	355.205590666667	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M-3H"	-3.021828
"505752"	533.312024	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M-3H"	-3.021828
"882826"	177.099157333333	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-3H"	-3.021828
"2129"	533.312024	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M-2H"	-2.014552
"442783"	800.471674	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M-2H"	-2.014552
"827147"	266.152374	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-2H"	-2.014552
"91152"	1067.631324	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M-H"	-1.007276
"530710"	1601.950624	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M-H"	-1.007276
"903409"	533.312024	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-H"	-1.007276
"52317"	1084.657871	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M-2H+NH4"	16.019271
"490786"	1618.977171	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M-2H+NH4"	16.019271
"871872"	550.338571	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-2H+NH4"	16.019271
"39773"	1089.613266	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M-2H+Na"	20.974666
"480425"	1623.932566	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M-2H+Na"	20.974666
"861149"	555.293966	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-2H+Na"	20.974666
"1626678"	555.293966	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Na-2H"	20.974666
"99925"	551.300363	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M-H+Cl"	33.962126
"537298"	818.460013	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M-H+Cl"	33.962126
"936280"	284.140713	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-H+Cl"	33.962126
"279210"	1103.608002	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+Cl"	34.969402
"671632"	1637.927302	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+Cl"	34.969402
"1282941"	569.288702	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Cl"	34.969402
"27685"	1105.587206	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M-2H+K"	36.948606
"468345"	1639.906506	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M-2H+K"	36.948606
"845784"	571.267906	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-2H+K"	36.948606
"1569636"	571.267906	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+K-2H"	36.948606
"954239"	579.317494	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-H+HCOOH"	44.998194
"373185"	1113.636801	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+HCOOH-H"	44.998201
"355249"	1127.652451	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+Hac-H"	59.013851
"1504080"	593.333151	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Hac-H"	59.013851
"967246"	601.299451	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-H+NaCOOH"	66.980151
"120528"	569.288702	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+2Cl"	69.938804
"563366"	836.448352	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+2Cl"	69.938804
"1028884"	302.129052	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2Cl"	69.938804
"1251741"	613.238185	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Br"	78.918885
"1315284"	615.294172	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Cl+HCOOH"	80.974872
"1328409"	637.276129	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Cl+NaCOOH"	102.956829
"921653"	647.304886	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M-H+CF3COOH"	112.985586
"1299454"	683.281564	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Cl+CF3COOH"	148.962264
"1376522"	499.306624	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H-2H2O"	-35.012676
"1394018"	517.3166	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H-H2O"	-17.0027
"288237"	1069.645876	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+H"	1.007276
"688315"	1603.965176	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+H"	1.007276
"1357009"	535.326576	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H"	1.007276
"134273"	535.326576	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+2H"	2.014552
"578206"	802.486226	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+2H"	2.014552
"1043727"	268.166926	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2H"	2.014552
"214908"	357.220142666667	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+3H"	3.021828
"657750"	535.326576	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+3H"	3.021828
"1170772"	179.113709333333	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+3H"	3.021828
"437691"	1086.672423	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+NH4"	18.033823
"791028"	1620.991723	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+NH4"	18.033823
"1685903"	552.353123	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+NH4"	18.033823
"331991"	543.8398495	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+H+NH4"	19.041099
"736089"	810.9994995	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+H+NH4"	19.041099
"1489912"	276.6801995	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H+NH4"	19.041099
"406043"	1091.627818	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+Na"	22.989218
"767400"	1625.947118	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+Na"	22.989218
"1614405"	557.308518	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Na"	22.989218
"326627"	546.317547	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+H+Na"	23.996494
"717956"	813.477197	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+H+Na"	23.996494
"1475053"	279.157897	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H+Na"	23.996494
"1059552"	186.441023333333	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2H+Na"	25.00377
"1260143"	567.352786	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+CH3OH+H"	33.033486
"377989"	1107.601758	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+K"	38.963158
"745182"	1641.921058	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+K"	38.963158
"1552337"	573.282458	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+K"	38.963158
"309874"	554.304517	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+H+K"	39.970434
"703755"	821.464167	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+H+K"	39.970434
"1458304"	287.144867	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H+K"	39.970434
"248366"	1110.672426	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+ACN+H"	42.033826
"1223623"	576.353126	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+ACN+H"	42.033826
"1206777"	288.680201	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+ACN+2H"	43.041102
"203297"	1113.60976	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+2Na-H"	44.97116
"642369"	1647.92906	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+2Na-H"	44.97116
"1145022"	579.29046	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2Na-H"	44.97116
"184910"	557.308518	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+2Na"	45.978436
"623743"	824.468168	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+2Na"	45.978436
"1127613"	290.148868	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2Na"	45.978436
"1408948"	193.768337333333	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H+2Na"	46.985712
"1437063"	581.332046	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H+HCOOH"	47.012746
"225664"	562.34154	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+3H2O+2H"	56.04448
"1523819"	595.38409	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+IsoProp+H"	61.06479
"416695"	565.295488	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+Na+K"	61.952376
"783403"	832.455138	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+Na+K"	61.952376
"1679984"	298.135838	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Na+K"	61.952376
"265293"	1132.654368	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+ACN+Na"	64.015768
"1239094"	598.335068	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+ACN+Na"	64.015768
"1726158"	598.358593	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+NH4+HCOOH"	64.039293
"1192244"	201.095651333333	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+3Na"	68.967654
"1662869"	603.313988	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Na+HCOOH"	68.994688
"164261"	1145.55764	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+2K-H"	76.91904
"601635"	1679.87694	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+2K-H"	76.91904
"1091617"	611.23834	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2K-H"	76.91904
"146245"	573.282458	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"2M+2K"	77.926316
"584708"	840.442108	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"3M+2K"	77.926316
"1073598"	306.122808	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2K"	77.926316
"1100603"	613.252892	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2K+H"	78.933592
"1341004"	613.340507	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+DMSO+H"	79.021207
"1013910"	617.379676	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2ACN+H"	83.060376
"1533128"	618.373308	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+IsoProp+Na+H"	84.054008
"1004800"	309.193476	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+2ACN+2H"	84.067652
"1602341"	619.287928	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+K+HCOOH"	84.968628
"1429212"	649.319438	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+H+CF3COOH"	115.000138
"1159863"	329.706751	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+3ACN+2H"	125.094202
"1706134"	666.345985	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+NH4+CF3COOH"	132.026685
"1635953"	671.30138	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+Na+CF3COOH"	136.98208
"1571606"	687.27532	"C08864"	"Divostroside;Sarmentogenin 3-O-alpha-L-diginoside"	"C30H46O8"	"534.3193"	"M+K+CF3COOH"	152.95602
"803433"	562.2414	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M"	0
"977329"	543.22301	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-H2O-H"	-19.01839
"69583"	373.820324	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M-3H"	-3.021828
"508049"	561.234124	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M-3H"	-3.021828
"888039"	186.406524	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-3H"	-3.021828
"3333"	561.234124	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M-2H"	-2.014552
"448360"	842.354824	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M-2H"	-2.014552
"829809"	280.113424	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-2H"	-2.014552
"93815"	1123.475524	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M-H"	-1.007276
"533252"	1685.716924	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M-H"	-1.007276
"909353"	561.234124	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-H"	-1.007276
"58624"	1140.502071	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M-2H+NH4"	16.019271
"494176"	1702.743471	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M-2H+NH4"	16.019271
"871982"	578.260671	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-2H+NH4"	16.019271
"44987"	1145.457466	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M-2H+Na"	20.974666
"480536"	1707.698866	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M-2H+Na"	20.974666
"860170"	583.216066	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-2H+Na"	20.974666
"1627882"	583.216066	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Na-2H"	20.974666
"103316"	579.222463	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M-H+Cl"	33.962126
"540689"	860.343163	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M-H+Cl"	33.962126
"936390"	298.101763	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-H+Cl"	33.962126
"279320"	1159.452202	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+Cl"	34.969402
"672474"	1721.693602	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+Cl"	34.969402
"1285971"	597.210802	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Cl"	34.969402
"29261"	1161.431406	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M-2H+K"	36.948606
"468091"	1723.672806	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M-2H+K"	36.948606
"845166"	599.190006	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-2H+K"	36.948606
"1567560"	599.190006	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+K-2H"	36.948606
"954349"	607.239594	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-H+HCOOH"	44.998194
"371110"	1169.481001	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+HCOOH-H"	44.998201
"353171"	1183.496651	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+Hac-H"	59.013851
"1504190"	621.255251	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Hac-H"	59.013851
"967357"	629.221551	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-H+NaCOOH"	66.980151
"119545"	597.210802	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+2Cl"	69.938804
"564205"	878.331502	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+2Cl"	69.938804
"1035554"	316.090102	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2Cl"	69.938804
"1254038"	641.160285	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Br"	78.918885
"1316488"	643.216272	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Cl+HCOOH"	80.974872
"1330705"	665.198229	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Cl+NaCOOH"	102.956829
"918483"	675.226986	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M-H+CF3COOH"	112.985586
"1299564"	711.203664	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Cl+CF3COOH"	148.962264
"1373352"	527.228724	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H-2H2O"	-35.012676
"1390848"	545.2387	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H-H2O"	-17.0027
"288347"	1125.490076	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+H"	1.007276
"687332"	1687.731476	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+H"	1.007276
"1356026"	563.248676	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H"	1.007276
"135477"	563.248676	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+2H"	2.014552
"576130"	844.369376	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+2H"	2.014552
"1043837"	282.127976	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2H"	2.014552
"213924"	375.834876	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+3H"	3.021828
"654580"	563.248676	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+3H"	3.021828
"1170518"	188.421076	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+3H"	3.021828
"434885"	1142.516623	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+NH4"	18.033823
"790410"	1704.758023	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+NH4"	18.033823
"1685649"	580.275223	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+NH4"	18.033823
"332466"	571.7619495	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+H+NH4"	19.041099
"736928"	852.8826495	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+H+NH4"	19.041099
"1490022"	290.6412495	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H+NH4"	19.041099
"406155"	1147.472018	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+Na"	22.989218
"767510"	1709.713418	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+Na"	22.989218
"1615611"	585.230618	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Na"	22.989218
"327830"	574.239647	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+H+Na"	23.996494
"720982"	855.360347	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+H+Na"	23.996494
"1475894"	293.118947	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H+Na"	23.996494
"1060755"	195.74839	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2H+Na"	25.00377
"1261346"	595.274886	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+CH3OH+H"	33.033486
"383202"	1163.445958	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+K"	38.963158
"747478"	1725.687358	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+K"	38.963158
"1552447"	601.204558	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+K"	38.963158
"308892"	582.226617	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+H+K"	39.970434
"702772"	863.347317	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+H+K"	39.970434
"1459143"	301.105917	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H+K"	39.970434
"248841"	1166.516626	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+ACN+H"	42.033826
"1223003"	604.275226	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+ACN+H"	42.033826
"1206523"	302.641251	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+ACN+2H"	43.041102
"202556"	1169.45396	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+2Na-H"	44.97116
"640777"	1731.69536	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+2Na-H"	44.97116
"1142822"	607.21256	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2Na-H"	44.97116
"183926"	585.230618	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+2Na"	45.978436
"625676"	866.351318	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+2Na"	45.978436
"1128815"	304.109918	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2Na"	45.978436
"1407235"	203.075704	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H+2Na"	46.985712
"1443371"	609.254146	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H+HCOOH"	47.012746
"225776"	590.26364	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+3H2O+2H"	56.04448
"1523198"	623.30619	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+IsoProp+H"	61.06479
"422031"	593.217588	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+Na+K"	61.952376
"784857"	874.338288	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+Na+K"	61.952376
"1679244"	312.096888	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Na+K"	61.952376
"265041"	1188.498568	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+ACN+Na"	64.015768
"1239448"	626.257168	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+ACN+Na"	64.015768
"1725175"	626.280693	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+NH4+HCOOH"	64.039293
"1190531"	210.403018	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+3Na"	68.967654
"1661886"	631.236088	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Na+HCOOH"	68.994688
"165465"	1201.40184	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+2K-H"	76.91904
"607212"	1763.64324	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+2K-H"	76.91904
"1096100"	639.16044	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2K-H"	76.91904
"148543"	601.204558	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"2M+2K"	77.926316
"590290"	882.325258	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"3M+2K"	77.926316
"1079174"	320.083858	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2K"	77.926316
"1105824"	641.174992	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2K+H"	78.933592
"1347677"	641.262607	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+DMSO+H"	79.021207
"1019488"	645.301776	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2ACN+H"	83.060376
"1538585"	646.295408	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+IsoProp+Na+H"	84.054008
"1003937"	323.154526	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+2ACN+2H"	84.067652
"1599656"	647.210028	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+K+HCOOH"	84.968628
"1429200"	677.241538	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+H+CF3COOH"	115.000138
"1158882"	343.667801	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+3ACN+2H"	125.094202
"1710618"	694.268085	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+NH4+CF3COOH"	132.026685
"1639708"	699.22348	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+Na+CF3COOH"	136.98208
"1572078"	715.19742	"C08865"	"Eriocarpin"	"C29H38O11"	"562.2414"	"M+K+CF3COOH"	152.95602
"802082"	780.4296	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M"	0
"978168"	761.41121	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-H2O-H"	-19.01839
"69693"	519.279124	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M-3H"	-3.021828
"507066"	779.422324	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M-3H"	-3.021828
"888149"	259.135924	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-3H"	-3.021828
"5630"	779.422324	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M-2H"	-2.014552
"448470"	1169.637124	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M-2H"	-2.014552
"825180"	389.207524	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-2H"	-2.014552
"92708"	1559.851924	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M-H"	-1.007276
"530201"	2340.281524	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M-H"	-1.007276
"908002"	779.422324	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-H"	-1.007276
"59098"	1576.878471	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M-2H+NH4"	16.019271
"497566"	2357.308071	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M-2H+NH4"	16.019271
"872092"	796.448871	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-2H+NH4"	16.019271
"36712"	1581.833866	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M-2H+Na"	20.974666
"477366"	2362.263466	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M-2H+Na"	20.974666
"862463"	801.404266	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-2H+Na"	20.974666
"1626898"	801.404266	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Na-2H"	20.974666
"107796"	797.410663	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M-H+Cl"	33.962126
"544078"	1187.625463	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M-H+Cl"	33.962126
"940510"	407.195863	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-H+Cl"	33.962126
"280524"	1595.828602	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+Cl"	34.969402
"672947"	2376.258202	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+Cl"	34.969402
"1286811"	815.399002	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Cl"	34.969402
"30825"	1597.807806	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M-2H+K"	36.948606
"464191"	2378.237406	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M-2H+K"	36.948606
"845640"	817.378206	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-2H+K"	36.948606
"1570102"	817.378206	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+K-2H"	36.948606
"955552"	825.427794	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-H+HCOOH"	44.998194
"370492"	1605.857401	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+HCOOH-H"	44.998201
"356563"	1619.873051	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+Hac-H"	59.013851
"1501020"	839.443451	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Hac-H"	59.013851
"968560"	847.409751	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-H+NaCOOH"	66.980151
"121842"	815.399002	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+2Cl"	69.938804
"561401"	1205.613802	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+2Cl"	69.938804
"1035664"	425.184202	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2Cl"	69.938804
"1251961"	859.348485	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Br"	78.918885
"1317691"	861.404472	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Cl+HCOOH"	80.974872
"1331908"	883.386429	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Cl+NaCOOH"	102.956829
"918593"	893.415186	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M-H+CF3COOH"	112.985586
"1295301"	929.391864	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Cl+CF3COOH"	148.962264
"1372369"	745.416924	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H-2H2O"	-35.012676
"1389865"	763.4269	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H-H2O"	-17.0027
"290644"	1561.866476	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+H"	1.007276
"687442"	2342.296076	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+H"	1.007276
"1356136"	781.436876	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H"	1.007276
"134494"	781.436876	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+2H"	2.014552
"574053"	1171.651676	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+2H"	2.014552
"1042854"	391.222076	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2H"	2.014552
"212212"	521.293676	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+3H"	3.021828
"654690"	781.436876	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+3H"	3.021828
"1169899"	261.150476	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+3H"	3.021828
"432444"	1578.893023	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+NH4"	18.033823
"792341"	2359.322623	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+NH4"	18.033823
"1686123"	798.463423	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+NH4"	18.033823
"334034"	789.9501495	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+H+NH4"	19.041099
"734122"	1180.1649495	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+H+NH4"	19.041099
"1489040"	399.7353495	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H+NH4"	19.041099
"404441"	1583.848418	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+Na"	22.989218
"766527"	2364.278018	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+Na"	22.989218
"1613536"	803.418818	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Na"	22.989218
"327577"	792.427847	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+H+Na"	23.996494
"719270"	1182.642647	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+H+Na"	23.996494
"1474182"	402.213047	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H+Na"	23.996494
"1062687"	268.47779	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2H+Na"	25.00377
"1262550"	813.463086	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+CH3OH+H"	33.033486
"385499"	1599.822358	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+K"	38.963158
"748682"	2380.251958	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+K"	38.963158
"1552557"	819.392758	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+K"	38.963158
"307910"	800.414817	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+H+K"	39.970434
"700331"	1190.629617	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+H+K"	39.970434
"1455246"	410.200017	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H+K"	39.970434
"246764"	1602.893026	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+ACN+H"	42.033826
"1220562"	822.463426	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+ACN+H"	42.033826
"1204810"	411.735351	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+ACN+2H"	43.041102
"199867"	1605.83036	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+2Na-H"	44.97116
"640520"	2386.25996	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+2Na-H"	44.97116
"1138559"	825.40076	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2Na-H"	44.97116
"181850"	803.418818	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+2Na"	45.978436
"620318"	1193.633618	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+2Na"	45.978436
"1127102"	413.204018	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2Na"	45.978436
"1407345"	275.805104	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H+2Na"	46.985712
"1442752"	827.442346	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H+HCOOH"	47.012746
"225886"	808.45184	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+3H2O+2H"	56.04448
"1523549"	841.49439	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+IsoProp+H"	61.06479
"421290"	811.405788	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+Na+K"	61.952376
"785413"	1201.620588	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+Na+K"	61.952376
"1679717"	421.190988	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Na+K"	61.952376
"266973"	1624.874968	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+ACN+Na"	64.015768
"1238949"	844.445368	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+ACN+Na"	64.015768
"1726742"	844.468893	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+NH4+HCOOH"	64.039293
"1192098"	283.132418	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+3Na"	68.967654
"1663088"	849.424288	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Na+HCOOH"	68.994688
"168856"	1637.77824	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+2K-H"	76.91904
"606229"	2418.20784	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+2K-H"	76.91904
"1096210"	857.34864	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2K-H"	76.91904
"151933"	819.392758	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"2M+2K"	77.926316
"591492"	1209.607558	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"3M+2K"	77.926316
"1080379"	429.177958	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2K"	77.926316
"1108122"	859.363192	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2K+H"	78.933592
"1347788"	859.450807	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+DMSO+H"	79.021207
"1020328"	863.489976	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2ACN+H"	83.060376
"1536630"	864.483608	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+IsoProp+Na+H"	84.054008
"1001982"	432.248626	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+2ACN+2H"	84.067652
"1600859"	865.398228	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+K+HCOOH"	84.968628
"1427608"	895.429738	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+H+CF3COOH"	115.000138
"1160085"	452.761901	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+3ACN+2H"	125.094202
"1706354"	912.456285	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+NH4+CF3COOH"	132.026685
"1639818"	917.41168	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+Na+CF3COOH"	136.98208
"1572554"	933.38562	"C08866"	"Gitoxin;Gitoxigenin 3-O-tridigitoxoside"	"C41H64O14"	"780.4296"	"M+K+CF3COOH"	152.95602
"813496"	458.2305	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M"	0
"983747"	439.21211	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-H2O-H"	-19.01839
"69805"	304.479724	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M-3H"	-3.021828
"506448"	457.223224	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M-3H"	-3.021828
"894827"	151.736224	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-3H"	-3.021828
"12303"	457.223224	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M-2H"	-2.014552
"449676"	686.338474	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M-2H"	-2.014552
"830759"	228.107974	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-2H"	-2.014552
"93303"	915.453724	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M-H"	-1.007276
"525939"	1373.684224	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M-H"	-1.007276
"908116"	457.223224	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-H"	-1.007276
"53743"	932.480271	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M-2H+NH4"	16.019271
"497677"	1390.710771	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M-2H+NH4"	16.019271
"867097"	474.249771	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-2H+NH4"	16.019271
"41196"	937.435666	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M-2H+Na"	20.974666
"485134"	1395.666166	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M-2H+Na"	20.974666
"858559"	479.205166	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-2H+Na"	20.974666
"1633327"	479.205166	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Na-2H"	20.974666
"104630"	475.211563	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M-H+Cl"	33.962126
"544187"	704.326813	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M-H+Cl"	33.962126
"939891"	246.096313	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-H+Cl"	33.962126
"278449"	951.430402	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+Cl"	34.969402
"671601"	1409.660902	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+Cl"	34.969402
"1285828"	493.199902	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Cl"	34.969402
"30938"	953.409606	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M-2H+K"	36.948606
"469407"	1411.640106	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M-2H+K"	36.948606
"844291"	495.179106	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-2H+K"	36.948606
"1569606"	495.179106	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+K-2H"	36.948606
"956757"	503.228694	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-H+HCOOH"	44.998194
"373882"	961.459201	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+HCOOH-H"	44.998201
"357764"	975.474851	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+Hac-H"	59.013851
"1503317"	517.244351	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Hac-H"	59.013851
"969764"	525.210651	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-H+NaCOOH"	66.980151
"120858"	493.199902	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+2Cl"	69.938804
"561510"	722.315152	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+2Cl"	69.938804
"1036466"	264.084652	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2Cl"	69.938804
"1255353"	537.149385	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Br"	78.918885
"1315616"	539.205372	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Cl+HCOOH"	80.974872
"1332018"	561.187329	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Cl+NaCOOH"	102.956829
"924171"	571.216086	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M-H+CF3COOH"	112.985586
"1296505"	607.192764	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Cl+CF3COOH"	148.962264
"1372479"	423.217824	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H-2H2O"	-35.012676
"1389975"	441.2278	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H-H2O"	-17.0027
"291847"	917.468276	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+H"	1.007276
"689011"	1375.698776	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+H"	1.007276
"1360622"	459.237776	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H"	1.007276
"133510"	459.237776	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+2H"	2.014552
"573071"	688.353026	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+2H"	2.014552
"1050622"	230.122526	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2H"	2.014552
"216336"	306.494276	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+3H"	3.021828
"654804"	459.237776	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+3H"	3.021828
"1175113"	153.750776	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+3H"	3.021828
"437293"	934.494823	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+NH4"	18.033823
"798286"	1392.725323	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+NH4"	18.033823
"1688055"	476.264323	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+NH4"	18.033823
"334146"	467.7510495	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+H+NH4"	19.041099
"735317"	696.8662995	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+H+NH4"	19.041099
"1491336"	238.6357995	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H+NH4"	19.041099
"407837"	939.450218	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+Na"	22.989218
"762264"	1397.680718	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+Na"	22.989218
"1615832"	481.219718	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Na"	22.989218
"326598"	470.228747	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+H+Na"	23.996494
"719747"	699.343997	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+H+Na"	23.996494
"1475389"	241.113497	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H+Na"	23.996494
"1063163"	161.07809	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2H+Na"	25.00377
"1262661"	491.263986	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+CH3OH+H"	33.033486
"383425"	955.424158	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+K"	38.963158
"750979"	1413.654658	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+K"	38.963158
"1554855"	497.193658	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+K"	38.963158
"312396"	478.215717	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+H+K"	39.970434
"706603"	707.330967	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+H+K"	39.970434
"1460096"	249.100467	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H+K"	39.970434
"250645"	958.494826	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+ACN+H"	42.033826
"1223226"	500.264326	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+ACN+H"	42.033826
"1207110"	250.635801	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+ACN+2H"	43.041102
"203832"	961.43216	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+2Na-H"	44.97116
"640270"	1419.66266	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+2Na-H"	44.97116
"1140860"	503.20166	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2Na-H"	44.97116
"184879"	481.219718	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+2Na"	45.978436
"620428"	710.334968	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+2Na"	45.978436
"1121744"	252.104468	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2Na"	45.978436
"1403443"	168.405404	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H+2Na"	46.985712
"1443955"	505.243246	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H+HCOOH"	47.012746
"225996"	486.25274	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+3H2O+2H"	56.04448
"1515151"	519.29529	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+IsoProp+H"	61.06479
"422493"	489.206688	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+Na+K"	61.952376
"775832"	718.321938	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+Na+K"	61.952376
"1678373"	260.091438	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Na+K"	61.952376
"266841"	980.476768	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+ACN+Na"	64.015768
"1239424"	522.246268	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+ACN+Na"	64.015768
"1726733"	522.269793	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+NH4+HCOOH"	64.039293
"1191119"	175.732718	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+3Na"	68.967654
"1665223"	527.225188	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Na+HCOOH"	68.994688
"166779"	993.38004	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+2K-H"	76.91904
"608527"	1451.61054	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+2K-H"	76.91904
"1098507"	535.14954	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2K-H"	76.91904
"156870"	497.193658	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"2M+2K"	77.926316
"588322"	726.308908	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"3M+2K"	77.926316
"1075020"	268.078408	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2K"	77.926316
"1103854"	537.164092	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2K+H"	78.933592
"1348867"	537.251707	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+DMSO+H"	79.021207
"1021052"	541.290876	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2ACN+H"	83.060376
"1537833"	542.284508	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+IsoProp+Na+H"	84.054008
"1004036"	271.149076	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+2ACN+2H"	84.067652
"1600968"	543.199128	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+K+HCOOH"	84.968628
"1427720"	573.230638	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+H+CF3COOH"	115.000138
"1155822"	291.662351	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+3ACN+2H"	125.094202
"1700998"	590.257185	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+NH4+CF3COOH"	132.026685
"1636284"	595.21258	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+Na+CF3COOH"	136.98208
"1579959"	611.18652	"C08867"	"Hellebrigenin 3-acetate"	"C26H34O7"	"458.2305"	"M+K+CF3COOH"	152.95602
"803763"	724.3306	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M"	0
"977296"	705.31221	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-H2O-H"	-19.01839
"69912"	481.879790666667	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M-3H"	-3.021828
"505101"	723.323324	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M-3H"	-3.021828
"891653"	240.436257333333	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-3H"	-3.021828
"10227"	723.323324	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M-2H"	-2.014552
"445413"	1085.488624	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M-2H"	-2.014552
"827590"	361.158024	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-2H"	-2.014552
"91591"	1447.653924	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M-H"	-1.007276
"531516"	2171.984524	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M-H"	-1.007276
"909806"	723.323324	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-H"	-1.007276
"59320"	1464.680471	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M-2H+NH4"	16.019271
"498881"	2189.011071	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M-2H+NH4"	16.019271
"867937"	740.349871	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-2H+NH4"	16.019271
"40213"	1469.635866	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M-2H+Na"	20.974666
"477586"	2193.966466	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M-2H+Na"	20.974666
"858669"	745.305266	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-2H+Na"	20.974666
"1633677"	745.305266	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Na-2H"	20.974666
"109436"	741.311663	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M-H+Cl"	33.962126
"545391"	1103.476963	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M-H+Cl"	33.962126
"940002"	379.146363	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-H+Cl"	33.962126
"281838"	1483.630602	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+Cl"	34.969402
"672076"	2207.961202	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+Cl"	34.969402
"1286667"	759.300002	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Cl"	34.969402
"29950"	1485.609806	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M-2H+K"	36.948606
"466236"	2209.940406	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M-2H+K"	36.948606
"839297"	761.279206	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-2H+K"	36.948606
"1564612"	761.279206	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+K-2H"	36.948606
"952859"	769.328794	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-H+HCOOH"	44.998194
"368522"	1493.659401	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+HCOOH-H"	44.998201
"352772"	1507.675051	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+Hac-H"	59.013851
"1499416"	783.344451	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Hac-H"	59.013851
"965501"	791.310751	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-H+NaCOOH"	66.980151
"114406"	759.300002	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+2Cl"	69.938804
"559433"	1121.465302	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+2Cl"	69.938804
"1032607"	397.134702	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2Cl"	69.938804
"1252181"	803.249485	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Br"	78.918885
"1312445"	805.305472	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Cl+HCOOH"	80.974872
"1328847"	827.287429	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Cl+NaCOOH"	102.956829
"922093"	837.316186	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M-H+CF3COOH"	112.985586
"1298801"	873.292864	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Cl+CF3COOH"	148.962264
"1368215"	689.317924	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H-2H2O"	-35.012676
"1391179"	707.3279	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H-H2O"	-17.0027
"288677"	1449.668476	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+H"	1.007276
"685474"	2173.999076	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+H"	1.007276
"1360732"	725.337876	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H"	1.007276
"131434"	725.337876	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+2H"	2.014552
"569900"	1087.503176	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+2H"	2.014552
"1045263"	363.172576	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2H"	2.014552
"216445"	483.894342666667	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+3H"	3.021828
"654912"	725.337876	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+3H"	3.021828
"1174859"	242.450809333333	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+3H"	3.021828
"438498"	1466.695023	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+NH4"	18.033823
"798396"	2191.025623	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+NH4"	18.033823
"1687072"	742.364423	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+NH4"	18.033823
"332070"	733.8511495	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+H+NH4"	19.041099
"735427"	1096.0164495	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+H+NH4"	19.041099
"1488896"	371.6858495	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H+NH4"	19.041099
"406849"	1471.650418	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+Na"	22.989218
"760187"	2195.981018	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+Na"	22.989218
"1612662"	747.319818	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Na"	22.989218
"325615"	736.328847	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+H+Na"	23.996494
"716212"	1098.494147	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+H+Na"	23.996494
"1471490"	374.163547	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H+Na"	23.996494
"1064365"	249.778123333333	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2H+Na"	25.00377
"1262769"	757.364086	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+CH3OH+H"	33.033486
"382442"	1487.624358	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+K"	38.963158
"741248"	2211.954958	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+K"	38.963158
"1550955"	763.293758	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+K"	38.963158
"308131"	744.315817	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+H+K"	39.970434
"703468"	1106.481117	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+H+K"	39.970434
"1455467"	382.150517	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H+K"	39.970434
"244068"	1490.695026	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+ACN+H"	42.033826
"1222243"	766.364426	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+ACN+H"	42.033826
"1206126"	383.685851	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+ACN+2H"	43.041102
"201550"	1493.63236	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+2Na-H"	44.97116
"639649"	2217.96296	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+2Na-H"	44.97116
"1137688"	769.30176	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2Na-H"	44.97116
"180977"	747.319818	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+2Na"	45.978436
"615799"	1109.485118	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+2Na"	45.978436
"1118208"	385.154518	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2Na"	45.978436
"1401368"	257.105437333333	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H+2Na"	46.985712
"1440784"	771.343346	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H+HCOOH"	47.012746
"227199"	752.35284	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+3H2O+2H"	56.04448
"1516355"	785.39539	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+IsoProp+H"	61.06479
"422603"	755.306788	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+Na+K"	61.952376
"775942"	1117.472088	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+Na+K"	61.952376
"1678844"	393.141488	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Na+K"	61.952376
"266704"	1512.676968	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+ACN+Na"	64.015768
"1238074"	788.346368	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+ACN+Na"	64.015768
"1725868"	788.369893	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+NH4+HCOOH"	64.039293
"1190857"	264.432751333333	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+3Na"	68.967654
"1663307"	793.325288	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Na+HCOOH"	68.994688
"172483"	1525.58024	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+2K-H"	76.91904
"612655"	2249.91084	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+2K-H"	76.91904
"1099351"	801.24964	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2K-H"	76.91904
"156656"	763.293758	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"2M+2K"	77.926316
"587339"	1125.459058	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"3M+2K"	77.926316
"1078410"	401.128458	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2K"	77.926316
"1107245"	803.264192	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2K+H"	78.933592
"1350072"	803.351807	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+DMSO+H"	79.021207
"1021287"	807.390976	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2ACN+H"	83.060376
"1537822"	808.384608	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+IsoProp+Na+H"	84.054008
"1004753"	404.199126	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+2ACN+2H"	84.067652
"1602723"	809.299228	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+K+HCOOH"	84.968628
"1426737"	839.330738	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+H+CF3COOH"	115.000138
"1157024"	424.712401	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+3ACN+2H"	125.094202
"1701108"	856.357285	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+NH4+CF3COOH"	132.026685
"1636031"	861.31268	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+Na+CF3COOH"	136.98208
"1580069"	877.28662	"C08868"	"Hellebrin;Hellebrigenin 3-O-glucosylrhamnoside"	"C36H52O15"	"724.3306"	"M+K+CF3COOH"	152.95602
"803873"	534.2829	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M"	0
"978499"	515.26451	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-H2O-H"	-19.01839
"70022"	355.181324	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M-3H"	-3.021828
"507397"	533.275624	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M-3H"	-3.021828
"891762"	177.087024	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-3H"	-3.021828
"9243"	533.275624	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M-2H"	-2.014552
"446616"	800.417074	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M-2H"	-2.014552
"829886"	266.134174	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-2H"	-2.014552
"92431"	1067.558524	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M-H"	-1.007276
"532235"	1601.841424	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M-H"	-1.007276
"910038"	533.275624	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-H"	-1.007276
"60160"	1084.585071	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M-2H+NH4"	16.019271
"500695"	1618.867971	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M-2H+NH4"	16.019271
"867682"	550.302171	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-2H+NH4"	16.019271
"39230"	1089.540466	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M-2H+Na"	20.974666
"477696"	1623.823366	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M-2H+Na"	20.974666
"858779"	555.257566	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-2H+Na"	20.974666
"1632330"	555.257566	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Na-2H"	20.974666
"104847"	551.263963	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M-H+Cl"	33.962126
"544408"	818.405413	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M-H+Cl"	33.962126
"939016"	284.122513	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-H+Cl"	33.962126
"279762"	1103.535202	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+Cl"	34.969402
"671093"	1637.818102	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+Cl"	34.969402
"1285319"	569.252302	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Cl"	34.969402
"29330"	1105.514406	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M-2H+K"	36.948606
"467439"	1639.797306	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M-2H+K"	36.948606
"841230"	571.231506	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-2H+K"	36.948606
"1565815"	571.231506	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+K-2H"	36.948606
"953697"	579.281094	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-H+HCOOH"	44.998194
"372641"	1113.564001	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+HCOOH-H"	44.998201
"352517"	1127.579651	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+Hac-H"	59.013851
"1500255"	593.296751	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Hac-H"	59.013851
"965610"	601.263051	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-H+NaCOOH"	66.980151
"117068"	569.252302	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+2Cl"	69.938804
"560636"	836.393752	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+2Cl"	69.938804
"1031622"	302.110852	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2Cl"	69.938804
"1252292"	613.201785	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Br"	78.918885
"1312553"	615.257772	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Cl+HCOOH"	80.974872
"1328957"	637.239729	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Cl+NaCOOH"	102.956829
"915643"	647.268486	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M-H+CF3COOH"	112.985586
"1298911"	683.245164	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Cl+CF3COOH"	148.962264
"1368325"	499.270224	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H-2H2O"	-35.012676
"1385821"	517.2802	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H-H2O"	-17.0027
"283804"	1069.573076	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+H"	1.007276
"685584"	1603.855976	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+H"	1.007276
"1360842"	535.290176	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H"	1.007276
"132637"	535.290176	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+2H"	2.014552
"565782"	802.431626	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+2H"	2.014552
"1044279"	268.148726	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2H"	2.014552
"215462"	357.195876	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+3H"	3.021828
"652835"	535.290176	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+3H"	3.021828
"1170959"	179.101576	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+3H"	3.021828
"436418"	1086.599623	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+NH4"	18.033823
"797413"	1620.882523	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+NH4"	18.033823
"1689368"	552.316723	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+NH4"	18.033823
"332541"	543.8034495	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+H+NH4"	19.041099
"725691"	810.9448995	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+H+NH4"	19.041099
"1481701"	276.6619995	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H+NH4"	19.041099
"401478"	1091.555018	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+Na"	22.989218
"767956"	1625.837918	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+Na"	22.989218
"1616051"	557.272118	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Na"	22.989218
"326088"	546.281147	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+H+Na"	23.996494
"718509"	813.422597	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+H+Na"	23.996494
"1473424"	279.139697	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H+Na"	23.996494
"1064475"	186.42889	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2H+Na"	25.00377
"1263973"	567.316386	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+CH3OH+H"	33.033486
"383645"	1107.528958	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+K"	38.963158
"744638"	1641.811858	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+K"	38.963158
"1551430"	573.246058	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+K"	38.963158
"309335"	554.268117	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+H+K"	39.970434
"704307"	821.409567	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+H+K"	39.970434
"1459465"	287.126667	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H+K"	39.970434
"248187"	1110.599626	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+ACN+H"	42.033826
"1222718"	576.316726	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+ACN+H"	42.033826
"1208058"	288.662001	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+ACN+2H"	43.041102
"203606"	1113.53696	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+2Na-H"	44.97116
"640852"	1647.81986	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+2Na-H"	44.97116
"1138891"	579.25406	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2Na-H"	44.97116
"181087"	557.272118	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+2Na"	45.978436
"616273"	824.413568	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+2Na"	45.978436
"1117953"	290.130668	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2Na"	45.978436
"1401115"	193.756204	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H+2Na"	46.985712
"1440894"	581.295646	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H+HCOOH"	47.012746
"226216"	562.30514	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+3H2O+2H"	56.04448
"1515371"	595.34769	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+IsoProp+H"	61.06479
"421257"	565.259088	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+Na+K"	61.952376
"776052"	832.400538	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+Na+K"	61.952376
"1676769"	298.117638	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Na+K"	61.952376
"265842"	1132.581568	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+ACN+Na"	64.015768
"1234905"	598.298668	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+ACN+Na"	64.015768
"1723425"	598.322193	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+NH4+HCOOH"	64.039293
"1186959"	201.083518	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+3Na"	68.967654
"1665491"	603.277588	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Na+HCOOH"	68.994688
"172672"	1145.48484	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+2K-H"	76.91904
"612643"	1679.76774	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+2K-H"	76.91904
"1099336"	611.20194	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2K-H"	76.91904
"156886"	573.246058	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"2M+2K"	77.926316
"590729"	840.387508	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"3M+2K"	77.926316
"1078523"	306.104608	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2K"	77.926316
"1110636"	613.216492	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2K+H"	78.933592
"1350305"	613.304107	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+DMSO+H"	79.021207
"1021026"	617.343276	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2ACN+H"	83.060376
"1537689"	618.336908	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+IsoProp+Na+H"	84.054008
"1005626"	309.175276	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+2ACN+2H"	84.067652
"1601918"	619.251528	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+K+HCOOH"	84.968628
"1427576"	649.283038	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+H+CF3COOH"	115.000138
"1157134"	329.688551	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+3ACN+2H"	125.094202
"1700125"	666.309585	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+NH4+CF3COOH"	132.026685
"1636141"	671.26498	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+Na+CF3COOH"	136.98208
"1580179"	687.23892	"C08869"	"Helveticoside;Strophanthidin 3-O-beta-D-digitoxoside"	"C29H42O9"	"534.2829"	"M+K+CF3COOH"	152.95602
"807264"	560.2258	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M"	0
"977517"	541.20741	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-H2O-H"	-19.01839
"66852"	372.476590666667	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M-3H"	-3.021828
"504228"	559.218524	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M-3H"	-3.021828
"883121"	185.734657333333	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-3H"	-3.021828
"8260"	559.218524	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M-2H"	-2.014552
"447819"	839.331424	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M-2H"	-2.014552
"828904"	279.105624	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-2H"	-2.014552
"89987"	1119.444324	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M-H"	-1.007276
"530642"	1679.670124	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M-H"	-1.007276
"909541"	559.218524	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-H"	-1.007276
"60637"	1136.470871	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M-2H+NH4"	16.019271
"499713"	1696.696671	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M-2H+NH4"	16.019271
"872529"	576.245071	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-2H+NH4"	16.019271
"36783"	1141.426266	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M-2H+Na"	20.974666
"473062"	1701.652066	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M-2H+Na"	20.974666
"856703"	581.200466	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-2H+Na"	20.974666
"1629520"	581.200466	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Na-2H"	20.974666
"106051"	577.206863	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M-H+Cl"	33.962126
"543424"	857.319763	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M-H+Cl"	33.962126
"938034"	297.093963	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-H+Cl"	33.962126
"279508"	1155.421002	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+Cl"	34.969402
"672295"	1715.646802	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+Cl"	34.969402
"1284336"	595.195202	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Cl"	34.969402
"29319"	1157.400206	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M-2H+K"	36.948606
"463541"	1717.626006	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M-2H+K"	36.948606
"840247"	597.174406	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-2H+K"	36.948606
"1561550"	597.174406	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+K-2H"	36.948606
"950526"	605.223994	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-H+HCOOH"	44.998194
"369835"	1165.449801	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+HCOOH-H"	44.998201
"352625"	1179.465451	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+Hac-H"	59.013851
"1498177"	619.239651	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Hac-H"	59.013851
"964990"	627.205951	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-H+NaCOOH"	66.980151
"116085"	595.195202	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+2Cl"	69.938804
"555280"	875.308102	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+2Cl"	69.938804
"1026266"	315.082302	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2Cl"	69.938804
"1251309"	639.144685	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Br"	78.918885
"1312663"	641.200672	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Cl+HCOOH"	80.974872
"1329067"	663.182629	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Cl+NaCOOH"	102.956829
"919033"	673.211386	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M-H+CF3COOH"	112.985586
"1295741"	709.188064	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Cl+CF3COOH"	148.962264
"1367825"	525.213124	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H-2H2O"	-35.012676
"1385931"	543.2231	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H-H2O"	-17.0027
"284644"	1121.458876	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+H"	1.007276
"683508"	1681.684676	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+H"	1.007276
"1359859"	561.233076	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H"	1.007276
"131654"	561.233076	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+2H"	2.014552
"572308"	841.345976	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+2H"	2.014552
"1042203"	281.120176	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2H"	2.014552
"210106"	374.491142666667	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+3H"	3.021828
"650759"	561.233076	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+3H"	3.021828
"1173986"	187.749209333333	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+3H"	3.021828
"435434"	1138.485423	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+NH4"	18.033823
"797158"	1698.711223	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+NH4"	18.033823
"1687292"	578.259623	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+NH4"	18.033823
"334837"	569.7463495	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+H+NH4"	19.041099
"727623"	849.8592495	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+H+NH4"	19.041099
"1481811"	289.6334495	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H+NH4"	19.041099
"400495"	1143.440818	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+Na"	22.989218
"767338"	1703.666618	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+Na"	22.989218
"1614340"	583.215018	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Na"	22.989218
"325835"	572.224047	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+H+Na"	23.996494
"718255"	852.336947	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+H+Na"	23.996494
"1473898"	292.111147	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H+Na"	23.996494
"1064585"	195.076523333333	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2H+Na"	25.00377
"1264083"	593.259286	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+CH3OH+H"	33.033486
"385942"	1159.414758	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+K"	38.963158
"748029"	1719.640558	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+K"	38.963158
"1550811"	599.188958	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+K"	38.963158
"307258"	580.211017	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+H+K"	39.970434
"701138"	860.323917	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+H+K"	39.970434
"1457146"	300.098117	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H+K"	39.970434
"246111"	1162.485426	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+ACN+H"	42.033826
"1223800"	602.259626	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+ACN+H"	42.033826
"1208292"	301.633451	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+ACN+2H"	43.041102
"202744"	1165.42276	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+2Na-H"	44.97116
"640962"	1725.64856	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+2Na-H"	44.97116
"1137908"	605.19696	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2Na-H"	44.97116
"180104"	583.215018	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+2Na"	45.978436
"616018"	863.327918	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+2Na"	45.978436
"1119157"	303.102118	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2Na"	45.978436
"1401588"	202.403837333333	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H+2Na"	46.985712
"1441004"	607.238546	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H+HCOOH"	47.012746
"226326"	588.24804	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+3H2O+2H"	56.04448
"1513295"	621.29059	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+IsoProp+H"	61.06479
"419908"	591.201988	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+Na+K"	61.952376
"778349"	871.314888	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+Na+K"	61.952376
"1679065"	311.089088	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Na+K"	61.952376
"264859"	1184.467368	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+ACN+Na"	64.015768
"1237932"	624.241568	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+ACN+Na"	64.015768
"1722442"	624.265093	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+NH4+HCOOH"	64.039293
"1187798"	209.731151333333	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+3Na"	68.967654
"1665228"	629.220488	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Na+HCOOH"	68.994688
"172459"	1197.37064	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+2K-H"	76.91904
"612387"	1757.59644	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+2K-H"	76.91904
"1097379"	637.14484	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2K-H"	76.91904
"156713"	599.188958	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"2M+2K"	77.926316
"589745"	879.301858	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"3M+2K"	77.926316
"1078632"	319.076058	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2K"	77.926316
"1111843"	639.159392	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2K+H"	78.933592
"1351192"	639.247007	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+DMSO+H"	79.021207
"1021335"	643.286176	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2ACN+H"	83.060376
"1538043"	644.279808	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+IsoProp+Na+H"	84.054008
"1002419"	322.146726	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+2ACN+2H"	84.067652
"1602517"	645.194428	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+K+HCOOH"	84.968628
"1426957"	675.225938	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+H+CF3COOH"	115.000138
"1157245"	342.660001	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+3ACN+2H"	125.094202
"1703515"	692.252485	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+NH4+CF3COOH"	132.026685
"1635885"	697.20788	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+Na+CF3COOH"	136.98208
"1580289"	713.18182	"C08870"	"Labriformidin"	"C29H36O11"	"560.2258"	"M+K+CF3COOH"	152.95602
"811751"	617.2295	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M"	0
"988563"	598.21111	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-H2O-H"	-19.01839
"70245"	410.479057333333	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M-3H"	-3.021828
"514180"	616.222224	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M-3H"	-3.021828
"891982"	204.735890666667	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-3H"	-3.021828
"15560"	616.222224	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M-2H"	-2.014552
"454493"	924.836974	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M-2H"	-2.014552
"831809"	307.607474	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-2H"	-2.014552
"94123"	1233.451724	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M-H"	-1.007276
"533715"	1850.681224	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M-H"	-1.007276
"905279"	616.222224	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-H"	-1.007276
"54189"	1250.478271	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M-2H+NH4"	16.019271
"490466"	1867.707771	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M-2H+NH4"	16.019271
"871549"	633.248771	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-2H+NH4"	16.019271
"40543"	1255.433666	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M-2H+Na"	20.974666
"483386"	1872.663166	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M-2H+Na"	20.974666
"857907"	638.204166	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-2H+Na"	20.974666
"1629630"	638.204166	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Na-2H"	20.974666
"109078"	634.210563	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M-H+Cl"	33.962126
"547790"	942.825313	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M-H+Cl"	33.962126
"941913"	325.595813	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-H+Cl"	33.962126
"278529"	1269.428402	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+Cl"	34.969402
"672406"	1886.657902	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+Cl"	34.969402
"1283718"	652.198902	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Cl"	34.969402
"29796"	1271.407606	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M-2H+K"	36.948606
"468392"	1888.637106	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M-2H+K"	36.948606
"844738"	654.178106	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-2H+K"	36.948606
"1567130"	654.178106	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+K-2H"	36.948606
"955742"	662.227694	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-H+HCOOH"	44.998194
"367762"	1279.457201	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+HCOOH-H"	44.998201
"351283"	1293.472851	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+Hac-H"	59.013851
"1500112"	676.243351	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Hac-H"	59.013851
"970205"	684.209651	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-H+NaCOOH"	66.980151
"121299"	652.198902	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+2Cl"	69.938804
"561953"	960.813652	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+2Cl"	69.938804
"1029658"	343.584152	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2Cl"	69.938804
"1244133"	696.148385	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Br"	78.918885
"1309496"	698.204372	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Cl+HCOOH"	80.974872
"1323710"	720.186329	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Cl+NaCOOH"	102.956829
"922429"	730.215086	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M-H+CF3COOH"	112.985586
"1298040"	766.191764	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Cl+CF3COOH"	148.962264
"1378026"	582.216824	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H-2H2O"	-35.012676
"1393699"	600.2268	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H-H2O"	-17.0027
"293385"	1235.466276	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+H"	1.007276
"686903"	1852.695776	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+H"	1.007276
"1362163"	618.236776	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H"	1.007276
"136147"	618.236776	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+2H"	2.014552
"573520"	926.851526	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+2H"	2.014552
"1045597"	309.622026	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2H"	2.014552
"213500"	412.493609333333	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+3H"	3.021828
"648687"	618.236776	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+3H"	3.021828
"1170091"	206.750442666667	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+3H"	3.021828
"432271"	1252.492823	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+NH4"	18.033823
"794360"	1869.722323	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+NH4"	18.033823
"1690691"	635.263323	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+NH4"	18.033823
"342249"	626.7500495	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+H+NH4"	19.041099
"732481"	935.3647995	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+H+NH4"	19.041099
"1489585"	318.1352995	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H+NH4"	19.041099
"407781"	1257.448218	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+Na"	22.989218
"768175"	1874.677718	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+Na"	22.989218
"1617364"	640.218718	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Na"	22.989218
"328493"	629.227747	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+H+Na"	23.996494
"720919"	937.842497	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+H+Na"	23.996494
"1474737"	320.612997	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H+Na"	23.996494
"1064336"	214.077756666667	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2H+Na"	25.00377
"1272259"	650.262986	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+CH3OH+H"	33.033486
"391155"	1273.422158	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+K"	38.963158
"752150"	1890.651658	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+K"	38.963158
"1553839"	656.192658	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+K"	38.963158
"313980"	637.214717	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+H+K"	39.970434
"706518"	945.829467	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+H+K"	39.970434
"1461272"	328.599967	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H+K"	39.970434
"251404"	1276.492826	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+ACN+H"	42.033826
"1224523"	659.263326	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+ACN+H"	42.033826
"1205004"	330.135301	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+ACN+2H"	43.041102
"201520"	1279.43016	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+2Na-H"	44.97116
"640350"	1896.65966	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+2Na-H"	44.97116
"1144581"	662.20066	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2Na-H"	44.97116
"183499"	640.218718	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+2Na"	45.978436
"624153"	948.833468	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+2Na"	45.978436
"1130211"	331.603968	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2Na"	45.978436
"1413255"	221.405070666667	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H+2Na"	46.985712
"1442212"	664.242246	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H+HCOOH"	47.012746
"229717"	645.25174	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+3H2O+2H"	56.04448
"1521064"	678.29429	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+IsoProp+H"	61.06479
"419295"	648.205688	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+Na+K"	61.952376
"780648"	956.820438	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+Na+K"	61.952376
"1675531"	339.590938	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Na+K"	61.952376
"262417"	1298.474768	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+ACN+Na"	64.015768
"1236220"	681.245268	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+ACN+Na"	64.015768
"1721823"	681.268793	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+NH4+HCOOH"	64.039293
"1187179"	228.732384666667	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+3Na"	68.967654
"1662543"	686.224188	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Na+HCOOH"	68.994688
"169403"	1311.37804	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+2K-H"	76.91904
"611156"	1928.60754	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+2K-H"	76.91904
"1099071"	694.14854	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2K-H"	76.91904
"156500"	656.192658	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"2M+2K"	77.926316
"590952"	964.807408	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"3M+2K"	77.926316
"1078742"	347.577908	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2K"	77.926316
"1109765"	696.163092	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2K+H"	78.933592
"1349798"	696.250707	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+DMSO+H"	79.021207
"1021005"	700.289876	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2ACN+H"	83.060376
"1538273"	701.283508	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+IsoProp+Na+H"	84.054008
"1002895"	350.648576	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+2ACN+2H"	84.067652
"1600679"	702.198128	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+K+HCOOH"	84.968628
"1424880"	732.229638	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+H+CF3COOH"	115.000138
"1154075"	371.161851	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+3ACN+2H"	125.094202
"1700345"	749.256185	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+NH4+CF3COOH"	132.026685
"1635995"	754.21158	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+Na+CF3COOH"	136.98208
"1580399"	770.18552	"C08871"	"Labriformin"	"C31H39NO10S"	"617.2295"	"M+K+CF3COOH"	152.95602
"804203"	620.2833	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M"	0
"978829"	601.26491	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-H2O-H"	-19.01839
"64885"	412.514924	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M-3H"	-3.021828
"506632"	619.276024	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M-3H"	-3.021828
"885526"	205.753824	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-3H"	-3.021828
"7387"	619.276024	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M-2H"	-2.014552
"446946"	929.417674	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M-2H"	-2.014552
"829124"	309.134374	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-2H"	-2.014552
"85834"	1239.559324	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M-H"	-1.007276
"527581"	1859.842624	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M-H"	-1.007276
"910731"	619.276024	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-H"	-1.007276
"58668"	1256.585871	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M-2H+NH4"	16.019271
"499321"	1876.869171	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M-2H+NH4"	16.019271
"872752"	636.302571	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-2H+NH4"	16.019271
"40653"	1261.541266	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M-2H+Na"	20.974666
"482401"	1881.824566	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M-2H+Na"	20.974666
"858016"	641.257966	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-2H+Na"	20.974666
"1627553"	641.257966	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Na-2H"	20.974666
"108458"	637.264363	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M-H+Cl"	33.962126
"548993"	947.406013	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M-H+Cl"	33.962126
"942471"	327.122713	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-H+Cl"	33.962126
"281191"	1275.536002	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+Cl"	34.969402
"673245"	1895.819302	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+Cl"	34.969402
"1286744"	655.252702	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Cl"	34.969402
"30715"	1277.515206	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M-2H+K"	36.948606
"467044"	1897.798506	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M-2H+K"	36.948606
"842661"	657.231906	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-2H+K"	36.948606
"1568334"	657.231906	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+K-2H"	36.948606
"956582"	665.281494	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-H+HCOOH"	44.998194
"365684"	1285.564801	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+HCOOH-H"	44.998201
"357222"	1299.580451	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+Hac-H"	59.013851
"1500586"	679.297151	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Hac-H"	59.013851
"967034"	687.263451	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-H+NaCOOH"	66.980151
"117035"	655.252702	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+2Cl"	69.938804
"558782"	965.394352	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+2Cl"	69.938804
"1026486"	345.111052	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2Cl"	69.938804
"1245336"	699.202185	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Br"	78.918885
"1308511"	701.258172	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Cl+HCOOH"	80.974872
"1323820"	723.240129	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Cl+NaCOOH"	102.956829
"921443"	733.268886	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M-H+CF3COOH"	112.985586
"1297057"	769.245564	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Cl+CF3COOH"	148.962264
"1377407"	585.270624	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H-2H2O"	-35.012676
"1391623"	603.2806	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H-H2O"	-17.0027
"292402"	1241.573876	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+H"	1.007276
"685920"	1861.857176	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+H"	1.007276
"1360087"	621.290576	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H"	1.007276
"132976"	621.290576	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+2H"	2.014552
"571442"	931.432226	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+2H"	2.014552
"1045707"	311.148926	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2H"	2.014552
"208143"	414.529476	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+3H"	3.021828
"648797"	621.290576	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+3H"	3.021828
"1170200"	207.768376	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+3H"	3.021828
"429099"	1258.600423	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+NH4"	18.033823
"789367"	1878.883723	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+NH4"	18.033823
"1687520"	638.317123	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+NH4"	18.033823
"340172"	629.8038495	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+H+NH4"	19.041099
"731498"	939.9454995	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+H+NH4"	19.041099
"1486415"	319.6621995	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H+NH4"	19.041099
"406190"	1263.555818	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+Na"	22.989218
"765002"	1883.839118	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+Na"	22.989218
"1615283"	643.272518	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Na"	22.989218
"326414"	632.281547	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+H+Na"	23.996494
"721999"	942.423197	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+H+Na"	23.996494
"1475939"	322.139897	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H+Na"	23.996494
"1063717"	215.09569	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2H+Na"	25.00377
"1270866"	653.316786	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+CH3OH+H"	33.033486
"383975"	1279.529758	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+K"	38.963158
"750436"	1899.813058	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+K"	38.963158
"1552856"	659.246458	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+K"	38.963158
"312949"	640.268517	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+H+K"	39.970434
"705370"	950.410167	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+H+K"	39.970434
"1460528"	330.126867	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H+K"	39.970434
"250914"	1282.600426	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+ACN+H"	42.033826
"1223416"	662.317126	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+ACN+H"	42.033826
"1203292"	331.662201	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+ACN+2H"	43.041102
"199808"	1285.53776	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+2Na-H"	44.97116
"637908"	1905.82106	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+2Na-H"	44.97116
"1141411"	665.25446	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2Na-H"	44.97116
"183609"	643.272518	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+2Na"	45.978436
"620982"	953.414168	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+2Na"	45.978436
"1127769"	333.130868	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2Na"	45.978436
"1413238"	222.423004	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H+2Na"	46.985712
"1443050"	667.296046	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H+HCOOH"	47.012746
"229827"	648.30554	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+3H2O+2H"	56.04448
"1521902"	681.34809	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+IsoProp+H"	61.06479
"421956"	651.259488	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+Na+K"	61.952376
"778572"	961.401138	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+Na+K"	61.952376
"1677097"	341.117838	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Na+K"	61.952376
"262527"	1304.582368	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+ACN+Na"	64.015768
"1235966"	684.299068	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+ACN+Na"	64.015768
"1721933"	684.322593	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+NH4+HCOOH"	64.039293
"1186195"	229.750318	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+3Na"	68.967654
"1661558"	689.277988	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Na+HCOOH"	68.994688
"167325"	1317.48564	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+2K-H"	76.91904
"609078"	1937.76894	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+2K-H"	76.91904
"1096871"	697.20234	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2K-H"	76.91904
"156000"	659.246458	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"2M+2K"	77.926316
"596287"	969.388108	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"3M+2K"	77.926316
"1076662"	349.104808	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2K"	77.926316
"1109872"	699.216892	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2K+H"	78.933592
"1346261"	699.304507	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+DMSO+H"	79.021207
"1019163"	703.343676	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2ACN+H"	83.060376
"1536196"	704.337308	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+IsoProp+Na+H"	84.054008
"1000454"	352.175476	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+2ACN+2H"	84.067652
"1597143"	705.251928	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+K+HCOOH"	84.968628
"1422803"	735.283438	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+H+CF3COOH"	115.000138
"1154185"	372.688751	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+3ACN+2H"	125.094202
"1697175"	752.309985	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+NH4+CF3COOH"	132.026685
"1634319"	757.26538	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+Na+CF3COOH"	136.98208
"1580509"	773.23932	"C08872"	"Lanceotoxin A"	"C32H44O12"	"620.2833"	"M+K+CF3COOH"	152.95602
"801761"	604.2884	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M"	0
"978939"	585.27001	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-H2O-H"	-19.01839
"64995"	401.851657333333	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M-3H"	-3.021828
"507835"	603.281124	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M-3H"	-3.021828
"886729"	200.422190666667	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-3H"	-3.021828
"7497"	603.281124	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M-2H"	-2.014552
"447056"	905.425324	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M-2H"	-2.014552
"832192"	301.136924	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-2H"	-2.014552
"84851"	1207.569524	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M-H"	-1.007276
"526598"	1811.857924	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M-H"	-1.007276
"909869"	603.281124	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-H"	-1.007276
"58778"	1224.596071	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M-2H+NH4"	16.019271
"500525"	1828.884471	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M-2H+NH4"	16.019271
"872862"	620.307671	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-2H+NH4"	16.019271
"39670"	1229.551466	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M-2H+Na"	20.974666
"480325"	1833.839866	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M-2H+Na"	20.974666
"857034"	625.263066	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-2H+Na"	20.974666
"1628756"	625.263066	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Na-2H"	20.974666
"109298"	621.269463	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M-H+Cl"	33.962126
"549347"	923.413663	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M-H+Cl"	33.962126
"941647"	319.125263	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-H+Cl"	33.962126
"279843"	1243.546202	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+Cl"	34.969402
"673355"	1847.834602	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+Cl"	34.969402
"1285397"	639.257802	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Cl"	34.969402
"28680"	1245.525406	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M-2H+K"	36.948606
"469340"	1849.813806	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M-2H+K"	36.948606
"847144"	641.237006	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-2H+K"	36.948606
"1570956"	641.237006	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+K-2H"	36.948606
"957785"	649.286594	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-H+HCOOH"	44.998194
"367251"	1253.575001	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+HCOOH-H"	44.998201
"358425"	1267.590651	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+Hac-H"	59.013851
"1500696"	663.302251	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Hac-H"	59.013851
"970426"	671.268551	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-H+NaCOOH"	66.980151
"119331"	639.257802	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+2Cl"	69.938804
"559985"	941.402002	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+2Cl"	69.938804
"1028054"	337.113602	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2Cl"	69.938804
"1246174"	683.207285	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Br"	78.918885
"1310808"	685.263272	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Cl+HCOOH"	80.974872
"1322837"	707.245229	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Cl+NaCOOH"	102.956829
"921553"	717.273986	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M-H+CF3COOH"	112.985586
"1297167"	753.250664	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Cl+CF3COOH"	148.962264
"1376424"	569.275724	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H-2H2O"	-35.012676
"1393919"	587.2857	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H-H2O"	-17.0027
"291419"	1209.584076	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+H"	1.007276
"684937"	1813.872476	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+H"	1.007276
"1360925"	605.295676	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H"	1.007276
"134545"	605.295676	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+2H"	2.014552
"572646"	907.439876	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+2H"	2.014552
"1044723"	303.151476	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2H"	2.014552
"206794"	403.866209333333	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+3H"	3.021828
"648907"	605.295676	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+3H"	3.021828
"1170309"	202.436742666667	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+3H"	3.021828
"428115"	1226.610623	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+NH4"	18.033823
"789113"	1830.899023	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+NH4"	18.033823
"1687630"	622.322223	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+NH4"	18.033823
"340282"	613.8089495	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+H+NH4"	19.041099
"730515"	915.9531495	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+H+NH4"	19.041099
"1486524"	311.6647495	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H+NH4"	19.041099
"407758"	1231.566018	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+Na"	22.989218
"765113"	1835.854418	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+Na"	22.989218
"1615393"	627.277618	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Na"	22.989218
"325431"	616.286647	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+H+Na"	23.996494
"720774"	918.430847	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+H+Na"	23.996494
"1476655"	314.142447	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H+Na"	23.996494
"1063462"	209.764056666667	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2H+Na"	25.00377
"1272070"	637.321886	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+CH3OH+H"	33.033486
"387365"	1247.539958	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+K"	38.963158
"750546"	1851.828358	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+K"	38.963158
"1552966"	643.251558	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+K"	38.963158
"313667"	624.273617	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+H+K"	39.970434
"706209"	926.417817	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+H+K"	39.970434
"1460882"	322.129417	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H+K"	39.970434
"251385"	1250.610626	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+ACN+H"	42.033826
"1224620"	646.322226	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+ACN+H"	42.033826
"1203402"	323.664751	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+ACN+2H"	43.041102
"199918"	1253.54796	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+2Na-H"	44.97116
"638018"	1857.83636	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+2Na-H"	44.97116
"1141520"	649.25956	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2Na-H"	44.97116
"183719"	627.277618	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+2Na"	45.978436
"621092"	929.421818	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+2Na"	45.978436
"1127879"	325.133418	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2Na"	45.978436
"1412135"	217.091370666667	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H+2Na"	46.985712
"1435868"	651.301146	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H+HCOOH"	47.012746
"231030"	632.31064	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+3H2O+2H"	56.04448
"1522012"	665.35319	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+IsoProp+H"	61.06479
"420971"	635.264588	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+Na+K"	61.952376
"779775"	937.408788	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+Na+K"	61.952376
"1671736"	333.120388	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Na+K"	61.952376
"264089"	1272.592568	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+ACN+Na"	64.015768
"1234254"	668.304168	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+ACN+Na"	64.015768
"1719857"	668.327693	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+NH4+HCOOH"	64.039293
"1186305"	224.418684666667	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+3Na"	68.967654
"1662761"	673.283088	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Na+HCOOH"	68.994688
"164153"	1285.49584	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+2K-H"	76.91904
"609188"	1889.78424	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+2K-H"	76.91904
"1093698"	681.20744	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2K-H"	76.91904
"154770"	643.251558	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"2M+2K"	77.926316
"595423"	945.395758	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"3M+2K"	77.926316
"1083340"	341.107358	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2K"	77.926316
"1107798"	683.221992	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2K+H"	78.933592
"1348557"	683.309607	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+DMSO+H"	79.021207
"1019273"	687.348776	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2ACN+H"	83.060376
"1536304"	688.342408	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+IsoProp+Na+H"	84.054008
"1001658"	344.178026	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+2ACN+2H"	84.067652
"1593973"	689.257028	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+K+HCOOH"	84.968628
"1422913"	719.288538	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+H+CF3COOH"	115.000138
"1154295"	364.691301	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+3ACN+2H"	125.094202
"1698012"	736.315085	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+NH4+CF3COOH"	132.026685
"1634631"	741.27048	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+Na+CF3COOH"	136.98208
"1580619"	757.24442	"C08873"	"Lanceotoxin B"	"C32H44O11"	"604.2884"	"M+K+CF3COOH"	152.95602
"802599"	552.2934	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M"	0
"976133"	533.27501	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H2O-H"	-19.01839
"64374"	367.188324	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-3H"	-3.021828
"507945"	551.286124	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-3H"	-3.021828
"884652"	183.090524	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-3H"	-3.021828
"7607"	551.286124	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H"	-2.014552
"447166"	827.432824	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H"	-2.014552
"829344"	275.139424	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H"	-2.014552
"86054"	1103.579524	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-H"	-1.007276
"526708"	1655.872924	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-H"	-1.007276
"905603"	551.286124	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H"	-1.007276
"57795"	1120.606071	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H+NH4"	16.019271
"500271"	1672.899471	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H+NH4"	16.019271
"868599"	568.312671	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H+NH4"	16.019271
"37593"	1125.561466	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H+Na"	20.974666
"478247"	1677.854866	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H+Na"	20.974666
"856050"	573.268066	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H+Na"	20.974666
"1624492"	573.268066	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na-2H"	20.974666
"107341"	569.274463	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-H+Cl"	33.962126
"540583"	845.421163	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-H+Cl"	33.962126
"942124"	293.127763	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+Cl"	33.962126
"281411"	1139.556202	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Cl"	34.969402
"674558"	1691.849602	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+Cl"	34.969402
"1287690"	587.262802	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl"	34.969402
"29883"	1141.535406	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M-2H+K"	36.948606
"469450"	1693.828806	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M-2H+K"	36.948606
"847254"	589.242006	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-2H+K"	36.948606
"1570864"	589.242006	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K-2H"	36.948606
"957653"	597.291594	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+HCOOH"	44.998194
"366997"	1149.585001	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+HCOOH-H"	44.998201
"358535"	1163.600651	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Hac-H"	59.013851
"1500806"	611.307251	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Hac-H"	59.013851
"972721"	619.273551	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+NaCOOH"	66.980151
"118348"	587.262802	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2Cl"	69.938804
"556813"	863.409502	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2Cl"	69.938804
"1026706"	311.116102	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2Cl"	69.938804
"1246284"	631.212285	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Br"	78.918885
"1308001"	633.268272	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl+HCOOH"	80.974872
"1324039"	655.250229	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl+NaCOOH"	102.956829
"921663"	665.278986	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M-H+CF3COOH"	112.985586
"1297277"	701.255664	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Cl+CF3COOH"	148.962264
"1374349"	517.280724	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H-2H2O"	-35.012676
"1393665"	535.2907	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H-H2O"	-17.0027
"292622"	1105.594076	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H"	1.007276
"684683"	1657.887476	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H"	1.007276
"1360306"	553.300676	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H"	1.007276
"133197"	553.300676	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2H"	2.014552
"572756"	829.447376	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2H"	2.014552
"1043740"	277.153976	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2H"	2.014552
"205447"	369.202876	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+3H"	3.021828
"649017"	553.300676	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+3H"	3.021828
"1170419"	185.105076	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+3H"	3.021828
"428225"	1122.620623	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+NH4"	18.033823
"790316"	1674.914023	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+NH4"	18.033823
"1688833"	570.327223	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+NH4"	18.033823
"337113"	561.8139495	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H+NH4"	19.041099
"731718"	837.9606495	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H+NH4"	19.041099
"1484448"	285.6672495	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+NH4"	19.041099
"402038"	1127.576018	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Na"	22.989218
"761944"	1679.869418	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+Na"	22.989218
"1612224"	575.282618	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na"	22.989218
"324448"	564.291647	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H+Na"	23.996494
"714685"	840.438347	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H+Na"	23.996494
"1473241"	288.144947	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+Na"	23.996494
"1061749"	192.43239	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2H+Na"	25.00377
"1269993"	585.326886	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+CH3OH+H"	33.033486
"388567"	1143.549958	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+K"	38.963158
"748469"	1695.843358	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+K"	38.963158
"1551983"	591.256558	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K"	38.963158
"310981"	572.278617	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+H+K"	39.970434
"702307"	848.425317	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+H+K"	39.970434
"1457222"	296.131917	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+K"	39.970434
"250444"	1146.620626	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+ACN+H"	42.033826
"1222177"	594.327226	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+ACN+H"	42.033826
"1202416"	297.667251	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+ACN+2H"	43.041102
"198565"	1149.55796	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2Na-H"	44.97116
"641041"	1701.85136	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2Na-H"	44.97116
"1137256"	597.26456	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2Na-H"	44.97116
"183829"	575.282618	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2Na"	45.978436
"619015"	851.429318	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2Na"	45.978436
"1127625"	299.135918	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2Na"	45.978436
"1412246"	199.759704	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+2Na"	46.985712
"1435244"	599.306146	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+HCOOH"	47.012746
"228947"	580.31564	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+3H2O+2H"	56.04448
"1521636"	613.35819	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+IsoProp+H"	61.06479
"421809"	583.269588	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+Na+K"	61.952376
"779884"	859.416288	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+Na+K"	61.952376
"1672938"	307.122888	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na+K"	61.952376
"258365"	1168.602568	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+ACN+Na"	64.015768
"1236550"	616.309168	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+ACN+Na"	64.015768
"1721060"	616.332693	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+NH4+HCOOH"	64.039293
"1185322"	207.087018	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+3Na"	68.967654
"1662871"	621.288088	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na+HCOOH"	68.994688
"164263"	1181.50584	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2K-H"	76.91904
"611119"	1733.79924	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2K-H"	76.91904
"1094901"	629.21244	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2K-H"	76.91904
"155001"	591.256558	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"2M+2K"	77.926316
"596262"	867.403258	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"3M+2K"	77.926316
"1083897"	315.109858	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2K"	77.926316
"1111189"	631.226992	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2K+H"	78.933592
"1348667"	631.314607	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+DMSO+H"	79.021207
"1018289"	635.353776	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2ACN+H"	83.060376
"1536414"	636.347408	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+IsoProp+Na+H"	84.054008
"1002861"	318.180526	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+2ACN+2H"	84.067652
"1595176"	637.262028	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K+HCOOH"	84.968628
"1424116"	667.293538	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+H+CF3COOH"	115.000138
"1154405"	338.693801	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+3ACN+2H"	125.094202
"1697394"	684.320085	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+NH4+CF3COOH"	132.026685
"1634258"	689.27548	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+Na+CF3COOH"	136.98208
"1580729"	705.24942	"C08874"	"Lokundjoside;Cuspidoside;Bipindogenin 3-O-alpha-L-rhamnoside"	"C29H44O10"	"552.2934"	"M+K+CF3COOH"	152.95602
"807814"	564.2934	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M"	0
"975879"	545.27501	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-H2O-H"	-19.01839
"64241"	375.188324	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M-3H"	-3.021828
"503194"	563.286124	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M-3H"	-3.021828
"884762"	187.090524	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-3H"	-3.021828
"7717"	563.286124	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M-2H"	-2.014552
"443996"	845.432824	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M-2H"	-2.014552
"827267"	281.139424	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-2H"	-2.014552
"85071"	1127.579524	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M-H"	-1.007276
"524631"	1691.872924	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M-H"	-1.007276
"905713"	563.286124	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-H"	-1.007276
"58998"	1144.606071	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M-2H+NH4"	16.019271
"501355"	1708.899471	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M-2H+NH4"	16.019271
"867250"	580.312671	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-2H+NH4"	16.019271
"37703"	1149.561466	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M-2H+Na"	20.974666
"475077"	1713.854866	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M-2H+Na"	20.974666
"856159"	585.268066	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-2H+Na"	20.974666
"1625695"	585.268066	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Na-2H"	20.974666
"107574"	581.274463	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M-H+Cl"	33.962126
"540693"	863.421163	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M-H+Cl"	33.962126
"941384"	299.127763	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-H+Cl"	33.962126
"278972"	1163.556202	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+Cl"	34.969402
"673698"	1727.849602	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+Cl"	34.969402
"1285614"	599.262802	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Cl"	34.969402
"29994"	1165.535406	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M-2H+K"	36.948606
"468104"	1729.828806	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M-2H+K"	36.948606
"845543"	601.242006	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-2H+K"	36.948606
"1570246"	601.242006	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+K-2H"	36.948606
"957277"	609.291594	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-H+HCOOH"	44.998194
"369295"	1173.585001	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+HCOOH-H"	44.998201
"359738"	1187.600651	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+Hac-H"	59.013851
"1502010"	623.307251	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Hac-H"	59.013851
"972831"	631.273551	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-H+NaCOOH"	66.980151
"120645"	599.262802	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+2Cl"	69.938804
"558017"	881.409502	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+2Cl"	69.938804
"1027909"	317.116102	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2Cl"	69.938804
"1245665"	643.212285	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Br"	78.918885
"1309934"	645.268272	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Cl+HCOOH"	80.974872
"1321234"	667.250229	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Cl+NaCOOH"	102.956829
"922869"	677.278986	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M-H+CF3COOH"	112.985586
"1300669"	713.255664	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Cl+CF3COOH"	148.962264
"1377738"	529.280724	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H-2H2O"	-35.012676
"1394139"	547.2907	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H-H2O"	-17.0027
"292732"	1129.594076	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+H"	1.007276
"688435"	1693.887476	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+H"	1.007276
"1361508"	565.300676	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H"	1.007276
"135129"	565.300676	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+2H"	2.014552
"573959"	847.447376	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+2H"	2.014552
"1044942"	283.153976	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2H"	2.014552
"209566"	377.202876	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+3H"	3.021828
"655688"	565.300676	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+3H"	3.021828
"1171624"	189.105076	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+3H"	3.021828
"434896"	1146.620623	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+NH4"	18.033823
"794799"	1710.914023	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+NH4"	18.033823
"1691131"	582.327223	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+NH4"	18.033823
"338315"	573.8139495	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+H+NH4"	19.041099
"730735"	855.9606495	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+H+NH4"	19.041099
"1485651"	291.6672495	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H+NH4"	19.041099
"402148"	1151.576018	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+Na"	22.989218
"762054"	1715.869418	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+Na"	22.989218
"1611244"	587.282618	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Na"	22.989218
"323469"	576.291647	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+H+Na"	23.996494
"716980"	858.438347	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+H+Na"	23.996494
"1472622"	294.144947	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H+Na"	23.996494
"1061859"	196.43239	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2H+Na"	25.00377
"1270832"	597.326886	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+CH3OH+H"	33.033486
"386491"	1167.549958	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+K"	38.963158
"747487"	1731.843358	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+K"	38.963158
"1550633"	603.256558	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+K"	38.963158
"308902"	584.278617	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+H+K"	39.970434
"702418"	866.425317	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+H+K"	39.970434
"1457697"	302.131917	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H+K"	39.970434
"248122"	1170.620626	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+ACN+H"	42.033826
"1219736"	606.327226	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+ACN+H"	42.033826
"1201434"	303.667251	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+ACN+2H"	43.041102
"198674"	1173.55796	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+2Na-H"	44.97116
"637141"	1737.85136	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+2Na-H"	44.97116
"1137365"	609.26456	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2Na-H"	44.97116
"176284"	587.282618	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+2Na"	45.978436
"619125"	869.429318	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+2Na"	45.978436
"1127371"	305.135918	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2Na"	45.978436
"1411259"	203.759704	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H+2Na"	46.985712
"1434625"	611.306146	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H+HCOOH"	47.012746
"229058"	592.31564	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+3H2O+2H"	56.04448
"1520407"	625.35819	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+IsoProp+H"	61.06479
"413530"	595.269588	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+Na+K"	61.952376
"777806"	877.416288	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+Na+K"	61.952376
"1671951"	313.122888	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Na+K"	61.952376
"255555"	1192.602568	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+ACN+Na"	64.015768
"1236660"	628.309168	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+ACN+Na"	64.015768
"1722263"	628.332693	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+NH4+HCOOH"	64.039293
"1184338"	211.087018	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+3Na"	68.967654
"1657513"	633.288088	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Na+HCOOH"	68.994688
"160000"	1205.50584	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+2K-H"	76.91904
"609407"	1769.79924	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+2K-H"	76.91904
"1096104"	641.21244	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2K-H"	76.91904
"155111"	603.256558	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"2M+2K"	77.926316
"593574"	885.403258	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"3M+2K"	77.926316
"1082464"	321.109858	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2K"	77.926316
"1112390"	643.226992	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2K+H"	78.933592
"1347679"	643.314607	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+DMSO+H"	79.021207
"1018397"	647.353776	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2ACN+H"	83.060376
"1536522"	648.347408	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+IsoProp+Na+H"	84.054008
"999690"	324.180526	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+2ACN+2H"	84.067652
"1597472"	649.262028	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+K+HCOOH"	84.968628
"1419853"	679.293538	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+H+CF3COOH"	115.000138
"1152328"	344.693801	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+3ACN+2H"	125.094202
"1697501"	696.320085	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+NH4+CF3COOH"	132.026685
"1634268"	701.27548	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+Na+CF3COOH"	136.98208
"1580839"	717.24942	"C08875"	"Musaroside;Sarmutogenin 3-O-beta-D-digitaloside"	"C30H44O10"	"564.2934"	"M+K+CF3COOH"	152.95602
"804643"	534.3193	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M"	0
"979269"	515.30091	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-H2O-H"	-19.01839
"64597"	355.205590666667	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M-3H"	-3.021828
"512539"	533.312024	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M-3H"	-3.021828
"888153"	177.099157333333	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-3H"	-3.021828
"1629"	533.312024	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M-2H"	-2.014552
"445200"	800.471674	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M-2H"	-2.014552
"826284"	266.152374	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-2H"	-2.014552
"82629"	1067.631324	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M-H"	-1.007276
"524741"	1601.950624	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M-H"	-1.007276
"904730"	533.312024	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-H"	-1.007276
"59107"	1084.657871	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M-2H+NH4"	16.019271
"497573"	1618.977171	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M-2H+NH4"	16.019271
"869912"	550.338571	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-2H+NH4"	16.019271
"40000"	1089.613266	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M-2H+Na"	20.974666
"479561"	1623.932566	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M-2H+Na"	20.974666
"859550"	555.293966	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-2H+Na"	20.974666
"1626899"	555.293966	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Na-2H"	20.974666
"109345"	551.300363	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M-H+Cl"	33.962126
"549068"	818.460013	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M-H+Cl"	33.962126
"942302"	284.140713	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-H+Cl"	33.962126
"281874"	1103.608002	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+Cl"	34.969402
"672957"	1637.927302	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+Cl"	34.969402
"1284991"	569.288702	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Cl"	34.969402
"28643"	1105.587206	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M-2H+K"	36.948606
"468580"	1639.906506	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M-2H+K"	36.948606
"846746"	571.267906	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-2H+K"	36.948606
"1570600"	571.267906	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+K-2H"	36.948606
"957145"	579.317494	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-H+HCOOH"	44.998194
"368312"	1113.636801	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+HCOOH-H"	44.998201
"357661"	1127.652451	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+Hac-H"	59.013851
"1503213"	593.333151	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Hac-H"	59.013851
"971847"	601.299451	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-H+NaCOOH"	66.980151
"117475"	569.288702	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+2Cl"	69.938804
"559221"	836.448352	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+2Cl"	69.938804
"1031301"	302.129052	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2Cl"	69.938804
"1246869"	613.238185	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Br"	78.918885
"1313325"	615.294172	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Cl+HCOOH"	80.974872
"1323895"	637.276129	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Cl+NaCOOH"	102.956829
"925166"	647.304886	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M-H+CF3COOH"	112.985586
"1300780"	683.281564	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Cl+CF3COOH"	148.962264
"1376755"	499.306624	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H-2H2O"	-35.012676
"1394249"	517.3166	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H-H2O"	-17.0027
"290655"	1069.645876	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+H"	1.007276
"689275"	1603.965176	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+H"	1.007276
"1362343"	535.326576	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H"	1.007276
"135600"	535.326576	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+2H"	2.014552
"576253"	802.486226	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+2H"	2.014552
"1045054"	268.166926	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2H"	2.014552
"211862"	357.220142666667	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+3H"	3.021828
"653611"	535.326576	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+3H"	3.021828
"1171737"	179.113709333333	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+3H"	3.021828
"431727"	1086.672423	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+NH4"	18.033823
"794906"	1620.991723	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+NH4"	18.033823
"1690148"	552.353123	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+NH4"	18.033823
"338426"	543.8398495	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+H+NH4"	19.041099
"730847"	810.9994995	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+H+NH4"	19.041099
"1485758"	276.6801995	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H+NH4"	19.041099
"402255"	1091.627818	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+Na"	22.989218
"764344"	1625.947118	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+Na"	22.989218
"1614635"	557.308518	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Na"	22.989218
"324673"	546.317547	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+H+Na"	23.996494
"718186"	813.477197	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+H+Na"	23.996494
"1473828"	279.157897	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H+Na"	23.996494
"1059783"	186.441023333333	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2H+Na"	25.00377
"1271916"	567.352786	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+CH3OH+H"	33.033486
"387695"	1107.601758	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+K"	38.963158
"751971"	1641.921058	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+K"	38.963158
"1551837"	573.282458	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+K"	38.963158
"311199"	554.304517	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+H+K"	39.970434
"705810"	821.464167	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+H+K"	39.970434
"1460359"	287.144867	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H+K"	39.970434
"250297"	1110.672426	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+ACN+H"	42.033826
"1222034"	576.353126	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+ACN+H"	42.033826
"1204823"	288.680201	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+ACN+2H"	43.041102
"198785"	1113.60976	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+2Na-H"	44.97116
"638345"	1647.92906	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+2Na-H"	44.97116
"1135288"	579.29046	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2Na-H"	44.97116
"178581"	557.308518	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+2Na"	45.978436
"627256"	824.468168	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+2Na"	45.978436
"1128209"	290.148868	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2Na"	45.978436
"1408453"	193.768337333333	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H+2Na"	46.985712
"1440569"	581.332046	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H+HCOOH"	47.012746
"226983"	562.34154	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+3H2O+2H"	56.04448
"1513954"	595.38409	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+IsoProp+H"	61.06479
"413639"	565.295488	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+Na+K"	61.952376
"774634"	832.455138	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+Na+K"	61.952376
"1670237"	298.135838	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Na+K"	61.952376
"256026"	1132.654368	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+ACN+Na"	64.015768
"1237863"	598.335068	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+ACN+Na"	64.015768
"1717999"	598.358593	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+NH4+HCOOH"	64.039293
"1186634"	201.095651333333	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+3Na"	68.967654
"1657623"	603.313988	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Na+HCOOH"	68.994688
"163390"	1145.55764	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+2K-H"	76.91904
"612312"	1679.87694	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+2K-H"	76.91904
"1098524"	611.23834	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2K-H"	76.91904
"156802"	573.282458	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"2M+2K"	77.926316
"596970"	840.442108	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"3M+2K"	77.926316
"1084157"	306.122808	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2K"	77.926316
"1114323"	613.252892	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2K+H"	78.933592
"1349976"	613.340507	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+DMSO+H"	79.021207
"1015226"	617.379676	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2ACN+H"	83.060376
"1536632"	618.373308	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+IsoProp+Na+H"	84.054008
"999800"	309.193476	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+2ACN+2H"	84.067652
"1596489"	619.287928	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+K+HCOOH"	84.968628
"1418869"	649.319438	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+H+CF3COOH"	115.000138
"1151346"	329.706751	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+3ACN+2H"	125.094202
"1697980"	666.345985	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+NH4+CF3COOH"	132.026685
"1634273"	671.30138	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+Na+CF3COOH"	136.98208
"1580949"	687.27532	"C08876"	"Neriifolin;Digitoxigenin 3-(alpha-L-thevetoside)"	"C30H46O8"	"534.3193"	"M+K+CF3COOH"	152.95602
"816770"	536.2985	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M"	0
"984848"	517.28011	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-H2O-H"	-19.01839
"70903"	356.525057333333	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M-3H"	-3.021828
"517023"	535.291224	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M-3H"	-3.021828
"892637"	177.758890666667	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-3H"	-3.021828
"5749"	535.291224	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M-2H"	-2.014552
"452966"	803.440474	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M-2H"	-2.014552
"828581"	267.141974	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-2H"	-2.014552
"83104"	1071.589724	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M-H"	-1.007276
"533359"	1607.888224	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M-H"	-1.007276
"910437"	535.291224	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-H"	-1.007276
"60310"	1088.616271	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M-2H+NH4"	16.019271
"498776"	1624.914771	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M-2H+NH4"	16.019271
"871118"	552.317771	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-2H+NH4"	16.019271
"40112"	1093.571666	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M-2H+Na"	20.974666
"481857"	1629.870166	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M-2H+Na"	20.974666
"861846"	557.273166	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-2H+Na"	20.974666
"1628102"	557.273166	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Na-2H"	20.974666
"109495"	553.279563	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M-H+Cl"	33.962126
"549868"	821.428813	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M-H+Cl"	33.962126
"942535"	285.130313	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-H+Cl"	33.962126
"281986"	1107.566402	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+Cl"	34.969402
"675091"	1643.864902	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+Cl"	34.969402
"1288450"	571.267902	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Cl"	34.969402
"27657"	1109.545606	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M-2H+K"	36.948606
"468690"	1645.844106	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M-2H+K"	36.948606
"846127"	573.247106	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-2H+K"	36.948606
"1568884"	573.247106	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+K-2H"	36.948606
"956039"	581.296694	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-H+HCOOH"	44.998194
"373164"	1117.595201	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+HCOOH-H"	44.998201
"357772"	1131.610851	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+Hac-H"	59.013851
"1505510"	595.312351	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Hac-H"	59.013851
"967583"	603.278651	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-H+NaCOOH"	66.980151
"121958"	571.267902	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+2Cl"	69.938804
"559330"	839.417152	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+2Cl"	69.938804
"1029224"	303.118652	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2Cl"	69.938804
"1252081"	615.217385	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Br"	78.918885
"1313435"	617.273372	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Cl+HCOOH"	80.974872
"1323641"	639.255329	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Cl+NaCOOH"	102.956829
"919807"	649.284086	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M-H+CF3COOH"	112.985586
"1297610"	685.260764	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Cl+CF3COOH"	148.962264
"1377959"	501.285824	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H-2H2O"	-35.012676
"1394359"	519.2958	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H-H2O"	-17.0027
"292951"	1073.604276	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+H"	1.007276
"683922"	1609.902776	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+H"	1.007276
"1363183"	537.305776	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H"	1.007276
"134619"	537.305776	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+2H"	2.014552
"574180"	805.455026	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+2H"	2.014552
"1047352"	269.156526	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2H"	2.014552
"211973"	358.539609333333	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+3H"	3.021828
"653723"	537.305776	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+3H"	3.021828
"1174035"	179.773442666667	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+3H"	3.021828
"434025"	1090.630823	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+NH4"	18.033823
"796112"	1626.929323	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+NH4"	18.033823
"1692446"	554.332323	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+NH4"	18.033823
"341815"	545.8190495	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+H+NH4"	19.041099
"733143"	813.9682995	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+H+NH4"	19.041099
"1486961"	277.6697995	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H+NH4"	19.041099
"404551"	1095.586218	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+Na"	22.989218
"766640"	1631.884718	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+Na"	22.989218
"1616933"	559.287718	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Na"	22.989218
"328063"	548.296747	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+H+Na"	23.996494
"721576"	816.445997	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+H+Na"	23.996494
"1476124"	280.147497	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H+Na"	23.996494
"1058800"	187.100756666667	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2H+Na"	25.00377
"1272473"	569.331986	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+CH3OH+H"	33.033486
"388898"	1111.560158	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+K"	38.963158
"753053"	1647.858658	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+K"	38.963158
"1555188"	575.261658	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+K"	38.963158
"313865"	556.283717	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+H+K"	39.970434
"704826"	824.432967	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+H+K"	39.970434
"1459740"	288.134467	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H+K"	39.970434
"251299"	1114.630826	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+ACN+H"	42.033826
"1224330"	578.332326	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+ACN+H"	42.033826
"1206026"	289.669801	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+ACN+2H"	43.041102
"198896"	1117.56816	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+2Na-H"	44.97116
"638455"	1653.86666	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+2Na-H"	44.97116
"1141963"	581.26966	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2Na-H"	44.97116
"184160"	559.287718	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+2Na"	45.978436
"626637"	827.436968	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+2Na"	45.978436
"1128323"	291.138468	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2Na"	45.978436
"1409659"	194.428070666667	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H+2Na"	46.985712
"1443959"	583.311246	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H+HCOOH"	47.012746
"229282"	564.32074	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+3H2O+2H"	56.04448
"1515157"	597.36329	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+IsoProp+H"	61.06479
"414845"	567.274688	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+Na+K"	61.952376
"774747"	835.423938	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+Na+K"	61.952376
"1669251"	299.125438	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Na+K"	61.952376
"260880"	1136.612768	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+ACN+Na"	64.015768
"1235787"	600.314268	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+ACN+Na"	64.015768
"1719202"	600.337793	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+NH4+HCOOH"	64.039293
"1186743"	201.755384666667	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+3Na"	68.967654
"1658826"	605.293188	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Na+HCOOH"	68.994688
"167873"	1149.51604	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+2K-H"	76.91904
"611326"	1685.81454	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+2K-H"	76.91904
"1094134"	613.21754	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2K-H"	76.91904
"154232"	575.261658	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"2M+2K"	77.926316
"595497"	843.410908	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"3M+2K"	77.926316
"1080494"	307.112408	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2K"	77.926316
"1113582"	615.232092	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2K+H"	78.933592
"1349845"	615.319707	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+DMSO+H"	79.021207
"1018616"	619.358876	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2ACN+H"	83.060376
"1535649"	620.352508	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+IsoProp+Na+H"	84.054008
"1001004"	310.183076	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+2ACN+2H"	84.067652
"1596599"	621.267128	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+K+HCOOH"	84.968628
"1423356"	651.298638	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+H+CF3COOH"	115.000138
"1152549"	330.696351	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+3ACN+2H"	125.094202
"1699914"	668.325185	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+NH4+CF3COOH"	132.026685
"1637754"	673.28058	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+Na+CF3COOH"	136.98208
"1581059"	689.25452	"C08877"	"Rhodexin A;Sarmentogenin 3-O-alpha-L-rhamnoside"	"C29H44O9"	"536.2985"	"M+K+CF3COOH"	152.95602
"812520"	568.2884	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M"	0
"978398"	549.27001	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-H2O-H"	-19.01839
"65546"	377.851657333333	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M-3H"	-3.021828
"509479"	567.281124	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M-3H"	-3.021828
"885093"	188.422190666667	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-3H"	-3.021828
"3672"	567.281124	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M-2H"	-2.014552
"453076"	851.425324	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M-2H"	-2.014552
"827598"	283.136924	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-2H"	-2.014552
"84307"	1135.569524	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M-H"	-1.007276
"532618"	1703.857924	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M-H"	-1.007276
"910913"	567.281124	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-H"	-1.007276
"59327"	1152.596071	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M-2H+NH4"	16.019271
"496700"	1720.884471	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M-2H+NH4"	16.019271
"869036"	584.307671	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-2H+NH4"	16.019271
"41313"	1157.551466	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M-2H+Na"	20.974666
"480874"	1725.839866	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M-2H+Na"	20.974666
"859770"	589.263066	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-2H+Na"	20.974666
"1629305"	589.263066	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Na-2H"	20.974666
"109849"	585.269463	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M-H+Cl"	33.962126
"549408"	869.413663	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M-H+Cl"	33.962126
"941470"	301.125263	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-H+Cl"	33.962126
"282458"	1171.546202	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+Cl"	34.969402
"674145"	1739.834602	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+Cl"	34.969402
"1284486"	603.257802	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Cl"	34.969402
"27403"	1173.525406	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M-2H+K"	36.948606
"467707"	1741.813806	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M-2H+K"	36.948606
"845872"	605.237006	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-2H+K"	36.948606
"1567901"	605.237006	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+K-2H"	36.948606
"956149"	613.286594	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-H+HCOOH"	44.998194
"370720"	1181.575001	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+HCOOH-H"	44.998201
"356426"	1195.590651	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+Hac-H"	59.013851
"1505620"	627.302251	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Hac-H"	59.013851
"968786"	635.268551	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-H+NaCOOH"	66.980151
"124255"	603.257802	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+2Cl"	69.938804
"564545"	887.402002	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+2Cl"	69.938804
"1031520"	319.113602	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2Cl"	69.938804
"1250004"	647.207285	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Br"	78.918885
"1313545"	649.263272	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Cl+HCOOH"	80.974872
"1322657"	671.245229	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Cl+NaCOOH"	102.956829
"921010"	681.273986	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M-H+CF3COOH"	112.985586
"1299906"	717.250664	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Cl+CF3COOH"	148.962264
"1378798"	533.275724	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H-2H2O"	-35.012676
"1394469"	551.2857	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H-H2O"	-17.0027
"289780"	1137.584076	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+H"	1.007276
"683303"	1705.872476	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+H"	1.007276
"1363656"	569.295676	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H"	1.007276
"130721"	569.295676	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+2H"	2.014552
"569917"	853.439876	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+2H"	2.014552
"1044183"	285.151476	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2H"	2.014552
"209898"	379.866209333333	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+3H"	3.021828
"651647"	569.295676	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+3H"	3.021828
"1169772"	190.436742666667	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+3H"	3.021828
"431949"	1154.610623	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+NH4"	18.033823
"794036"	1722.899023	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+NH4"	18.033823
"1691463"	586.322223	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+NH4"	18.033823
"336460"	577.8089495	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+H+NH4"	19.041099
"728880"	861.9531495	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+H+NH4"	19.041099
"1485977"	293.6647495	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H+NH4"	19.041099
"402475"	1159.566018	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+Na"	22.989218
"764564"	1727.854418	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+Na"	22.989218
"1617733"	591.277618	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Na"	22.989218
"327080"	580.286647	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+H+Na"	23.996494
"722294"	864.430847	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+H+Na"	23.996494
"1474413"	296.142447	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H+Na"	23.996494
"1060003"	197.764056666667	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2H+Na"	25.00377
"1271527"	601.321886	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+CH3OH+H"	33.033486
"389008"	1175.539958	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+K"	38.963158
"752190"	1743.828358	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+K"	38.963158
"1554487"	607.251558	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+K"	38.963158
"313489"	588.273617	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+H+K"	39.970434
"702749"	872.417817	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+H+K"	39.970434
"1457664"	304.129417	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H+K"	39.970434
"250154"	1178.610626	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+ACN+H"	42.033826
"1224927"	610.322226	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+ACN+H"	42.033826
"1203950"	305.664751	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+ACN+2H"	43.041102
"199006"	1181.54796	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+2Na-H"	44.97116
"636378"	1749.83636	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+2Na-H"	44.97116
"1142073"	613.25956	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2Na-H"	44.97116
"184270"	591.277618	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+2Na"	45.978436
"624924"	875.421818	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+2Na"	45.978436
"1127338"	307.133418	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2Na"	45.978436
"1406487"	205.091370666667	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H+2Na"	46.985712
"1436413"	615.301146	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H+HCOOH"	47.012746
"226110"	596.31064	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+3H2O+2H"	56.04448
"1517452"	629.35319	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+IsoProp+H"	61.06479
"413862"	599.264588	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+Na+K"	61.952376
"774857"	883.408788	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+Na+K"	61.952376
"1669000"	315.120388	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Na+K"	61.952376
"257710"	1200.592568	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+ACN+Na"	64.015768
"1235896"	632.304168	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+ACN+Na"	64.015768
"1720404"	632.327693	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+NH4+HCOOH"	64.039293
"1185760"	212.418684666667	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+3Na"	68.967654
"1657843"	637.283088	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Na+HCOOH"	68.994688
"167982"	1213.49584	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+2K-H"	76.91904
"610827"	1781.78424	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+2K-H"	76.91904
"1094244"	645.20744	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2K-H"	76.91904
"154342"	607.251558	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"2M+2K"	77.926316
"594998"	891.395758	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"3M+2K"	77.926316
"1081697"	323.107358	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2K"	77.926316
"1111625"	647.221992	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2K+H"	78.933592
"1349955"	647.309607	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+DMSO+H"	79.021207
"1018726"	651.348776	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2ACN+H"	83.060376
"1536852"	652.342408	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+IsoProp+Na+H"	84.054008
"998927"	326.178026	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+2ACN+2H"	84.067652
"1598895"	653.257028	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+K+HCOOH"	84.968628
"1423466"	683.288538	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+H+CF3COOH"	115.000138
"1152659"	346.691301	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+3ACN+2H"	125.094202
"1700024"	700.315085	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+NH4+CF3COOH"	132.026685
"1637864"	705.27048	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+Na+CF3COOH"	136.98208
"1581169"	721.24442	"C08878"	"Sarmentoloside;Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)"	"C29H44O11"	"568.2884"	"M+K+CF3COOH"	152.95602
"812631"	692.3408	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M"	0
"981788"	673.32241	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-H2O-H"	-19.01839
"64564"	460.553257333333	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M-3H"	-3.021828
"507403"	691.333524	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M-3H"	-3.021828
"885203"	229.772990666667	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-3H"	-3.021828
"9250"	691.333524	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M-2H"	-2.014552
"449906"	1037.503924	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M-2H"	-2.014552
"827708"	345.163124	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-2H"	-2.014552
"81865"	1383.674324	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M-H"	-1.007276
"531634"	2076.015124	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M-H"	-1.007276
"910294"	691.333524	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-H"	-1.007276
"61626"	1400.700871	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M-2H+NH4"	16.019271
"496810"	2093.041671	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M-2H+NH4"	16.019271
"869146"	708.360071	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-2H+NH4"	16.019271
"41425"	1405.656266	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M-2H+Na"	20.974666
"482077"	2097.997066	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M-2H+Na"	20.974666
"859881"	713.315466	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-2H+Na"	20.974666
"1629415"	713.315466	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Na-2H"	20.974666
"108985"	709.321863	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M-H+Cl"	33.962126
"549438"	1055.492263	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M-H+Cl"	33.962126
"941704"	363.151463	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-H+Cl"	33.962126
"281839"	1419.651002	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+Cl"	34.969402
"674984"	2111.991802	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+Cl"	34.969402
"1288122"	727.310202	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Cl"	34.969402
"27148"	1421.630206	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M-2H+K"	36.948606
"468909"	2113.971006	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M-2H+K"	36.948606
"844521"	729.289406	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-2H+K"	36.948606
"1566552"	729.289406	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+K-2H"	36.948606
"955166"	737.338994	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-H+HCOOH"	44.998194
"372653"	1429.679801	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+HCOOH-H"	44.998201
"359085"	1443.695451	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+Hac-H"	59.013851
"1503543"	751.354651	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Hac-H"	59.013851
"965616"	759.320951	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-H+NaCOOH"	66.980151
"119991"	727.310202	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+2Cl"	69.938804
"562832"	1073.480602	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+2Cl"	69.938804
"1028714"	381.139802	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2Cl"	69.938804
"1246105"	771.259685	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Br"	78.918885
"1310738"	773.315672	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Cl+HCOOH"	80.974872
"1323861"	795.297629	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Cl+NaCOOH"	102.956829
"921120"	805.326386	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M-H+CF3COOH"	112.985586
"1300016"	841.303064	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Cl+CF3COOH"	148.962264
"1380001"	657.328124	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H-2H2O"	-35.012676
"1394579"	675.3381	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H-H2O"	-17.0027
"289890"	1385.688876	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+H"	1.007276
"685596"	2078.029676	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+H"	1.007276
"1363038"	693.348076	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H"	1.007276
"133745"	693.348076	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+2H"	2.014552
"571120"	1039.518476	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+2H"	2.014552
"1042106"	347.177676	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2H"	2.014552
"211101"	462.567809333333	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+3H"	3.021828
"649569"	693.348076	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+3H"	3.021828
"1172065"	231.787542666667	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+3H"	3.021828
"435337"	1402.715423	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+NH4"	18.033823
"797423"	2095.056223	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+NH4"	18.033823
"1693027"	710.374623	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+NH4"	18.033823
"339846"	701.8613495	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+H+NH4"	19.041099
"733361"	1048.0317495	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+H+NH4"	19.041099
"1483900"	355.6909495	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H+NH4"	19.041099
"399297"	1407.670818	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+Na"	22.989218
"762487"	2100.011618	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+Na"	22.989218
"1608397"	715.330018	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Na"	22.989218
"328041"	704.339047	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+H+Na"	23.996494
"721557"	1050.509447	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+H+Na"	23.996494
"1475615"	358.168647	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H+Na"	23.996494
"1060113"	239.114856666667	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2H+Na"	25.00377
"1272248"	725.374286	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+CH3OH+H"	33.033486
"391305"	1423.644758	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+K"	38.963158
"753152"	2115.985558	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+K"	38.963158
"1553989"	731.303958	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+K"	38.963158
"311531"	712.326017	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+H+K"	39.970434
"703589"	1058.496417	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+H+K"	39.970434
"1456680"	366.155617	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H+K"	39.970434
"249292"	1426.715426	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+ACN+H"	42.033826
"1221270"	734.374626	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+ACN+H"	42.033826
"1201873"	367.690951	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+ACN+2H"	43.041102
"198022"	1429.65276	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+2Na-H"	44.97116
"635395"	2121.99356	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+2Na-H"	44.97116
"1138903"	737.31196	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2Na-H"	44.97116
"181100"	715.330018	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+2Na"	45.978436
"621754"	1061.500418	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+2Na"	45.978436
"1124167"	369.159618	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2Na"	45.978436
"1406233"	246.442170666667	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H+2Na"	46.985712
"1436523"	739.353546	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H+HCOOH"	47.012746
"227311"	720.36304	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+3H2O+2H"	56.04448
"1515373"	753.40559	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+IsoProp+H"	61.06479
"413971"	723.316988	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+Na+K"	61.952376
"774964"	1069.487388	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+Na+K"	61.952376
"1669474"	377.146588	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Na+K"	61.952376
"254538"	1448.697368	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+ACN+Na"	64.015768
"1232722"	756.356568	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+ACN+Na"	64.015768
"1719786"	756.380093	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+NH4+HCOOH"	64.039293
"1186963"	253.769484666667	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+3Na"	68.967654
"1657948"	761.335488	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Na+HCOOH"	68.994688
"168091"	1461.60064	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+2K-H"	76.91904
"608750"	2153.94144	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+2K-H"	76.91904
"1093260"	769.25984	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2K-H"	76.91904
"151172"	731.303958	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"2M+2K"	77.926316
"596446"	1077.474358	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"3M+2K"	77.926316
"1083510"	385.133558	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2K"	77.926316
"1114774"	771.274392	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2K+H"	78.933592
"1350186"	771.362007	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+DMSO+H"	79.021207
"1016649"	775.401176	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2ACN+H"	83.060376
"1536962"	776.394808	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+IsoProp+Na+H"	84.054008
"999038"	388.204226	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+2ACN+2H"	84.067652
"1596820"	777.309428	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+K+HCOOH"	84.968628
"1423576"	807.340938	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+H+CF3COOH"	115.000138
"1152769"	408.717501	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+3ACN+2H"	125.094202
"1702322"	824.367485	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+NH4+CF3COOH"	132.026685
"1637974"	829.32288	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+Na+CF3COOH"	136.98208
"1581279"	845.29682	"C08879"	"Scillaren A;Scillarenin 3-O-glucosylrhamnoside"	"C36H52O13"	"692.3408"	"M+K+CF3COOH"	152.95602
"811645"	620.2833	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M"	0
"981898"	601.26491	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-H2O-H"	-19.01839
"66860"	412.514924	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M-3H"	-3.021828
"505326"	619.276024	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M-3H"	-3.021828
"885313"	205.753824	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-3H"	-3.021828
"6080"	619.276024	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M-2H"	-2.014552
"450017"	929.417674	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M-2H"	-2.014552
"826725"	309.134374	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-2H"	-2.014552
"85621"	1239.559324	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M-H"	-1.007276
"532234"	1859.842624	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M-H"	-1.007276
"909067"	619.276024	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-H"	-1.007276
"62104"	1256.585871	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M-2H+NH4"	16.019271
"500201"	1876.869171	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M-2H+NH4"	16.019271
"871444"	636.302571	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-2H+NH4"	16.019271
"42629"	1261.541266	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M-2H+Na"	20.974666
"482187"	1881.824566	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M-2H+Na"	20.974666
"864003"	641.257966	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-2H+Na"	20.974666
"1632807"	641.257966	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Na-2H"	20.974666
"109216"	637.264363	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M-H+Cl"	33.962126
"548898"	947.406013	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M-H+Cl"	33.962126
"939503"	327.122713	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-H+Cl"	33.962126
"280611"	1275.536002	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+Cl"	34.969402
"672300"	1895.819302	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+Cl"	34.969402
"1285800"	655.252702	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Cl"	34.969402
"26165"	1277.515206	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M-2H+K"	36.948606
"466830"	1897.798506	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M-2H+K"	36.948606
"842443"	657.231906	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-2H+K"	36.948606
"1565932"	657.231906	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+K-2H"	36.948606
"951629"	665.281494	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-H+HCOOH"	44.998194
"370943"	1285.564801	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+HCOOH-H"	44.998201
"354825"	1299.580451	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+Hac-H"	59.013851
"1503293"	679.297151	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Hac-H"	59.013851
"970832"	687.263451	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-H+NaCOOH"	66.980151
"122291"	655.252702	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+2Cl"	69.938804
"561850"	965.394352	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+2Cl"	69.938804
"1031740"	345.111052	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2Cl"	69.938804
"1246215"	699.202185	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Br"	78.918885
"1313764"	701.258172	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Cl+HCOOH"	80.974872
"1329072"	723.240129	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Cl+NaCOOH"	102.956829
"920137"	733.268886	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M-H+CF3COOH"	112.985586
"1301219"	769.245564	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Cl+CF3COOH"	148.962264
"1379381"	585.270624	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H-2H2O"	-35.012676
"1390316"	603.2806	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H-H2O"	-17.0027
"288907"	1241.573876	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+H"	1.007276
"686799"	1861.857176	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+H"	1.007276
"1358773"	621.290576	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H"	1.007276
"133855"	621.290576	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+2H"	2.014552
"572323"	931.432226	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+2H"	2.014552
"1044400"	311.148926	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2H"	2.014552
"213398"	414.529476	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+3H"	3.021828
"652960"	621.290576	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+3H"	3.021828
"1175093"	207.768376	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+3H"	3.021828
"436540"	1258.600423	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+NH4"	18.033823
"798626"	1878.883723	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+NH4"	18.033823
"1694230"	638.317123	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+NH4"	18.033823
"341049"	629.8038495	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+H+NH4"	19.041099
"732378"	939.9454995	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+H+NH4"	19.041099
"1485103"	319.6621995	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H+NH4"	19.041099
"401593"	1263.555818	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+Na"	22.989218
"762597"	1883.839118	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+Na"	22.989218
"1609600"	643.272518	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Na"	22.989218
"328272"	632.281547	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+H+Na"	23.996494
"721302"	942.423197	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+H+Na"	23.996494
"1475730"	322.139897	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H+Na"	23.996494
"1063503"	215.09569	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2H+Na"	25.00377
"1271994"	653.316786	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+CH3OH+H"	33.033486
"391783"	1279.529758	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+K"	38.963158
"752777"	1899.813058	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+K"	38.963158
"1553857"	659.246458	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+K"	38.963158
"311642"	640.268517	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+H+K"	39.970434
"702606"	950.410167	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+H+K"	39.970434
"1455699"	330.126867	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H+K"	39.970434
"247580"	1282.600426	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+ACN+H"	42.033826
"1222473"	662.317126	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+ACN+H"	42.033826
"1204170"	331.662201	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+ACN+2H"	43.041102
"200319"	1285.53776	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+2Na-H"	44.97116
"642431"	1905.82106	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+2Na-H"	44.97116
"1139013"	665.25446	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2Na-H"	44.97116
"182304"	643.272518	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+2Na"	45.978436
"621863"	953.414168	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+2Na"	45.978436
"1123914"	333.130868	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2Na"	45.978436
"1406710"	222.423004	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H+2Na"	46.985712
"1434448"	667.296046	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H+HCOOH"	47.012746
"226330"	648.30554	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+3H2O+2H"	56.04448
"1513298"	681.34809	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+IsoProp+H"	61.06479
"412988"	651.259488	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+Na+K"	61.952376
"777263"	961.401138	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+Na+K"	61.952376
"1670315"	341.117838	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Na+K"	61.952376
"259022"	1304.582368	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+ACN+Na"	64.015768
"1230643"	684.299068	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+ACN+Na"	64.015768
"1719529"	684.322593	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+NH4+HCOOH"	64.039293
"1185250"	229.750318	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+3Na"	68.967654
"1655870"	689.277988	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Na+HCOOH"	68.994688
"167108"	1317.48564	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+2K-H"	76.91904
"603390"	1937.76894	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+2K-H"	76.91904
"1088997"	697.20234	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2K-H"	76.91904
"153469"	659.246458	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"2M+2K"	77.926316
"595464"	969.388108	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"3M+2K"	77.926316
"1080823"	349.104808	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2K"	77.926316
"1109659"	699.216892	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2K+H"	78.933592
"1351111"	699.304507	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+DMSO+H"	79.021207
"1019798"	703.343676	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2ACN+H"	83.060376
"1538533"	704.337308	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+IsoProp+Na+H"	84.054008
"1004252"	352.175476	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+2ACN+2H"	84.067652
"1598022"	705.251928	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+K+HCOOH"	84.968628
"1421498"	735.283438	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+H+CF3COOH"	115.000138
"1151786"	372.688751	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+3ACN+2H"	125.094202
"1702432"	752.309985	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+NH4+CF3COOH"	132.026685
"1640271"	757.26538	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+Na+CF3COOH"	136.98208
"1581389"	773.23932	"C08880"	"Scilliroside;Scillirosidin 3-O-beta-D-glucoside"	"C32H44O12"	"620.2833"	"M+K+CF3COOH"	152.95602
"811755"	872.4042	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M"	0
"982008"	853.38581	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-H2O-H"	-19.01839
"66970"	580.595524	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M-3H"	-3.021828
"505800"	871.396924	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M-3H"	-3.021828
"885423"	289.794124	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-3H"	-3.021828
"7283"	871.396924	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M-2H"	-2.014552
"449033"	1307.599024	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M-2H"	-2.014552
"822460"	435.194824	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-2H"	-2.014552
"83544"	1743.801124	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M-H"	-1.007276
"529668"	2616.205324	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M-H"	-1.007276
"909911"	871.396924	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-H"	-1.007276
"61977"	1760.827671	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M-2H+NH4"	16.019271
"500311"	2633.231871	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M-2H+NH4"	16.019271
"871554"	888.423471	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-2H+NH4"	16.019271
"44804"	1765.783066	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M-2H+Na"	20.974666
"482297"	2638.187266	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M-2H+Na"	20.974666
"861196"	893.378866	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-2H+Na"	20.974666
"1632917"	893.378866	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Na-2H"	20.974666
"108719"	889.385263	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M-H+Cl"	33.962126
"546821"	1325.587363	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M-H+Cl"	33.962126
"938148"	453.183163	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-H+Cl"	33.962126
"275613"	1779.777802	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+Cl"	34.969402
"668034"	2652.182002	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+Cl"	34.969402
"1280438"	907.373602	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Cl"	34.969402
"22993"	1781.757006	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M-2H+K"	36.948606
"467669"	2654.161206	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M-2H+K"	36.948606
"844741"	909.352806	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-2H+K"	36.948606
"1564949"	909.352806	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+K-2H"	36.948606
"952832"	917.402394	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-H+HCOOH"	44.998194
"370689"	1789.806601	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+HCOOH-H"	44.998201
"356030"	1803.822251	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+Hac-H"	59.013851
"1502674"	931.418051	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Hac-H"	59.013851
"970215"	939.384351	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-H+NaCOOH"	66.980151
"120944"	907.373602	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+2Cl"	69.938804
"562325"	1343.575702	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+2Cl"	69.938804
"1031851"	471.171502	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2Cl"	69.938804
"1247418"	951.323085	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Br"	78.918885
"1313874"	953.379072	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Cl+HCOOH"	80.974872
"1329182"	975.361029	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Cl+NaCOOH"	102.956829
"921340"	985.389786	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M-H+CF3COOH"	112.985586
"1300236"	1021.366464	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Cl+CF3COOH"	148.962264
"1377305"	837.391524	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H-2H2O"	-35.012676
"1391519"	855.4015	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H-H2O"	-17.0027
"289017"	1745.815676	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+H"	1.007276
"683629"	2618.219876	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+H"	1.007276
"1357058"	873.411476	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H"	1.007276
"135424"	873.411476	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+2H"	2.014552
"574619"	1309.613576	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+2H"	2.014552
"1041230"	437.209376	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2H"	2.014552
"214600"	582.610076	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+3H"	3.021828
"657075"	873.411476	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+3H"	3.021828
"1176659"	291.808676	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+3H"	3.021828
"436648"	1762.842223	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+NH4"	18.033823
"798735"	2635.246423	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+NH4"	18.033823
"1695068"	890.438023	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+NH4"	18.033823
"342252"	881.9247495	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+H+NH4"	19.041099
"733581"	1318.1268495	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+H+NH4"	19.041099
"1484120"	445.7226495	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H+NH4"	19.041099
"402796"	1767.797618	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+Na"	22.989218
"763800"	2640.201818	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+Na"	22.989218
"1612989"	895.393418	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Na"	22.989218
"328383"	884.402447	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+H+Na"	23.996494
"721411"	1320.604547	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+H+Na"	23.996494
"1474745"	448.200347	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H+Na"	23.996494
"1066894"	299.13599	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2H+Na"	25.00377
"1272620"	905.437686	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+CH3OH+H"	33.033486
"391525"	1783.771558	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+K"	38.963158
"753252"	2656.175758	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+K"	38.963158
"1554088"	911.367358	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+K"	38.963158
"311752"	892.389417	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+H+K"	39.970434
"703810"	1328.591517	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+H+K"	39.970434
"1456898"	456.187317	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H+K"	39.970434
"249511"	1786.842226	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+ACN+H"	42.033826
"1223557"	914.438026	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+ACN+H"	42.033826
"1203187"	457.722651	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+ACN+2H"	43.041102
"197149"	1789.77956	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+2Na-H"	44.97116
"638896"	2662.18376	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+2Na-H"	44.97116
"1139125"	917.37536	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2Na-H"	44.97116
"182414"	895.393418	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+2Na"	45.978436
"621973"	1331.595518	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+2Na"	45.978436
"1119285"	459.191318	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2Na"	45.978436
"1407184"	306.463304	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H+2Na"	46.985712
"1434558"	919.416946	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H+HCOOH"	47.012746
"227533"	900.42644	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+3H2O+2H"	56.04448
"1512315"	933.46899	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+IsoProp+H"	61.06479
"410907"	903.380388	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+Na+K"	61.952376
"777373"	1339.582488	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+Na+K"	61.952376
"1668599"	467.178288	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Na+K"	61.952376
"253297"	1808.824168	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+ACN+Na"	64.015768
"1231846"	936.419968	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+ACN+Na"	64.015768
"1720732"	936.443493	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+NH4+HCOOH"	64.039293
"1183538"	313.790618	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+3Na"	68.967654
"1655980"	941.398888	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Na+HCOOH"	68.994688
"162480"	1821.72744	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+2K-H"	76.91904
"602407"	2694.13164	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+2K-H"	76.91904
"1090200"	949.32324	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2K-H"	76.91904
"150299"	911.367358	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"2M+2K"	77.926316
"595939"	1347.569458	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"3M+2K"	77.926316
"1081907"	475.165258	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2K"	77.926316
"1109770"	951.337792	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2K+H"	78.933592
"1350895"	951.425407	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+DMSO+H"	79.021207
"1020518"	955.464576	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2ACN+H"	83.060376
"1538764"	956.458208	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+IsoProp+Na+H"	84.054008
"1003390"	478.235926	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+2ACN+2H"	84.067652
"1598133"	957.372828	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+K+HCOOH"	84.968628
"1420514"	987.404338	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+H+CF3COOH"	115.000138
"1151895"	498.749201	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+3ACN+2H"	125.094202
"1702542"	1004.430885	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+NH4+CF3COOH"	132.026685
"1640381"	1009.38628	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+Na+CF3COOH"	136.98208
"1581499"	1025.36022	"C08881"	"k-Strophanthoside;Strophanthidin 3-diglucosylcymarose"	"C42H64O19"	"872.4042"	"M+K+CF3COOH"	152.95602
"811865"	872.4042	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M"	0
"982118"	853.38581	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-H2O-H"	-19.01839
"67444"	580.595524	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M-3H"	-3.021828
"508825"	871.396924	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M-3H"	-3.021828
"883347"	289.794124	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-3H"	-3.021828
"7393"	871.396924	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M-2H"	-2.014552
"450236"	1307.599024	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M-2H"	-2.014552
"822570"	435.194824	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-2H"	-2.014552
"86934"	1743.801124	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M-H"	-1.007276
"529778"	2616.205324	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M-H"	-1.007276
"910740"	871.396924	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-H"	-1.007276
"62800"	1760.827671	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M-2H+NH4"	16.019271
"501515"	2633.231871	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M-2H+NH4"	16.019271
"870567"	888.423471	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-2H+NH4"	16.019271
"45033"	1765.783066	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M-2H+Na"	20.974666
"484593"	2638.187266	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M-2H+Na"	20.974666
"853646"	893.378866	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-2H+Na"	20.974666
"1630838"	893.378866	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Na-2H"	20.974666
"100808"	889.385263	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M-H+Cl"	33.962126
"544743"	1325.587363	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M-H+Cl"	33.962126
"938258"	453.183163	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-H+Cl"	33.962126
"277909"	1779.777802	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+Cl"	34.969402
"670330"	2652.182002	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+Cl"	34.969402
"1279453"	907.373602	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Cl"	34.969402
"23103"	1781.757006	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M-2H+K"	36.948606
"468143"	2654.161206	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M-2H+K"	36.948606
"844851"	909.352806	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-2H+K"	36.948606
"1565059"	909.352806	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+K-2H"	36.948606
"951120"	917.402394	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-H+HCOOH"	44.998194
"372257"	1789.806601	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+HCOOH-H"	44.998201
"354684"	1803.822251	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+Hac-H"	59.013851
"1503513"	931.418051	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Hac-H"	59.013851
"969959"	939.384351	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-H+NaCOOH"	66.980151
"121420"	907.373602	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+2Cl"	69.938804
"559884"	1343.575702	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+2Cl"	69.938804
"1027953"	471.171502	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2Cl"	69.938804
"1249715"	951.323085	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Br"	78.918885
"1316171"	953.379072	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Cl+HCOOH"	80.974872
"1328199"	975.361029	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Cl+NaCOOH"	102.956829
"919265"	985.389786	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M-H+CF3COOH"	112.985586
"1299253"	1021.366464	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Cl+CF3COOH"	148.962264
"1376322"	837.391524	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H-2H2O"	-35.012676
"1389443"	855.4015	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H-H2O"	-17.0027
"286941"	1745.815676	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+H"	1.007276
"684103"	2618.219876	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+H"	1.007276
"1355710"	873.411476	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H"	1.007276
"132983"	873.411476	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+2H"	2.014552
"569260"	1309.613576	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+2H"	2.014552
"1043527"	437.209376	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2H"	2.014552
"214710"	582.610076	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+3H"	3.021828
"655363"	873.411476	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+3H"	3.021828
"1173488"	291.808676	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+3H"	3.021828
"433478"	1762.842223	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+NH4"	18.033823
"796659"	2635.246423	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+NH4"	18.033823
"1692992"	890.438023	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+NH4"	18.033823
"342362"	881.9247495	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+H+NH4"	19.041099
"732597"	1318.1268495	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+H+NH4"	19.041099
"1483137"	445.7226495	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H+NH4"	19.041099
"401813"	1767.797618	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+Na"	22.989218
"762817"	2640.201818	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+Na"	22.989218
"1612006"	895.393418	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Na"	22.989218
"329587"	884.402447	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+H+Na"	23.996494
"722008"	1320.604547	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+H+Na"	23.996494
"1475221"	448.200347	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H+Na"	23.996494
"1067004"	299.13599	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2H+Na"	25.00377
"1271601"	905.437686	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+CH3OH+H"	33.033486
"392779"	1783.771558	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+K"	38.963158
"753972"	2656.175758	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+K"	38.963158
"1554319"	911.367358	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+K"	38.963158
"309673"	892.389417	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+H+K"	39.970434
"705377"	1328.591517	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+H+K"	39.970434
"1458101"	456.187317	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H+K"	39.970434
"250916"	1786.842226	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+ACN+H"	42.033826
"1224761"	914.438026	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+ACN+H"	42.033826
"1206578"	457.722651	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+ACN+2H"	43.041102
"200540"	1789.77956	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+2Na-H"	44.97116
"641922"	2662.18376	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+2Na-H"	44.97116
"1139234"	917.37536	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2Na-H"	44.97116
"184346"	895.393418	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+2Na"	45.978436
"622083"	1331.595518	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+2Na"	45.978436
"1124499"	459.191318	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2Na"	45.978436
"1409115"	306.463304	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H+2Na"	46.985712
"1434668"	919.416946	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H+HCOOH"	47.012746
"225457"	900.42644	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+3H2O+2H"	56.04448
"1511333"	933.46899	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+IsoProp+H"	61.06479
"411380"	903.380388	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+Na+K"	61.952376
"774567"	1339.582488	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+Na+K"	61.952376
"1668346"	467.178288	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Na+K"	61.952376
"253774"	1808.824168	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+ACN+Na"	64.015768
"1229770"	936.419968	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+ACN+Na"	64.015768
"1716470"	936.443493	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+NH4+HCOOH"	64.039293
"1184012"	313.790618	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+3Na"	68.967654
"1653540"	941.398888	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Na+HCOOH"	68.994688
"163319"	1821.72744	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+2K-H"	76.91904
"601058"	2694.13164	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+2K-H"	76.91904
"1090311"	949.32324	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2K-H"	76.91904
"150409"	911.367358	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"2M+2K"	77.926316
"596049"	1347.569458	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"3M+2K"	77.926316
"1081045"	475.165258	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2K"	77.926316
"1110973"	951.337792	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2K+H"	78.933592
"1346263"	951.425407	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+DMSO+H"	79.021207
"1020507"	955.464576	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2ACN+H"	83.060376
"1538874"	956.458208	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+IsoProp+Na+H"	84.054008
"1003742"	478.235926	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+2ACN+2H"	84.067652
"1597149"	957.372828	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+K+HCOOH"	84.968628
"1421718"	987.404338	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+H+CF3COOH"	115.000138
"1149817"	498.749201	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+3ACN+2H"	125.094202
"1702652"	1004.430885	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+NH4+CF3COOH"	132.026685
"1640491"	1009.38628	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+Na+CF3COOH"	136.98208
"1581609"	1025.36022	"C08882"	"Thevetin A;Cannogenin 3-O-gentiobiosylthevetoside"	"C42H64O19"	"872.4042"	"M+K+CF3COOH"	152.95602
"811975"	530.2516	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M"	0
"982228"	511.23321	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-H2O-H"	-19.01839
"66097"	352.493790666667	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M-3H"	-3.021828
"508936"	529.244324	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M-3H"	-3.021828
"884550"	175.743257333333	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-3H"	-3.021828
"4221"	529.244324	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M-2H"	-2.014552
"440137"	794.370124	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M-2H"	-2.014552
"821584"	264.118524	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-2H"	-2.014552
"88136"	1059.495924	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M-H"	-1.007276
"520771"	1589.747524	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M-H"	-1.007276
"897481"	529.244324	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-H"	-1.007276
"51128"	1076.522471	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M-2H+NH4"	16.019271
"492875"	1606.774071	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M-2H+NH4"	16.019271
"865933"	546.270871	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-2H+NH4"	16.019271
"45022"	1081.477866	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M-2H+Na"	20.974666
"483610"	1611.729466	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M-2H+Na"	20.974666
"852297"	551.226266	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-2H+Na"	20.974666
"1632042"	551.226266	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Na-2H"	20.974666
"100918"	547.232663	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M-H+Cl"	33.962126
"548132"	812.358463	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M-H+Cl"	33.962126
"941407"	282.106863	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-H+Cl"	33.962126
"268417"	1095.472602	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+Cl"	34.969402
"668253"	1625.724202	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+Cl"	34.969402
"1276282"	565.221002	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Cl"	34.969402
"23213"	1097.451806	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M-2H+K"	36.948606
"470440"	1627.703406	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M-2H+K"	36.948606
"846054"	567.200206	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-2H+K"	36.948606
"1567356"	567.200206	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+K-2H"	36.948606
"954145"	575.249794	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-H+HCOOH"	44.998194
"373825"	1105.501401	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+HCOOH-H"	44.998201
"357339"	1119.517051	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+Hac-H"	59.013851
"1505443"	589.265451	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Hac-H"	59.013851
"970434"	597.231751	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-H+NaCOOH"	66.980151
"121894"	565.221002	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+2Cl"	69.938804
"561452"	830.346802	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+2Cl"	69.938804
"1028792"	300.095202	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2Cl"	69.938804
"1250554"	609.170485	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Br"	78.918885
"1315188"	611.226472	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Cl+HCOOH"	80.974872
"1325029"	633.208429	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Cl+NaCOOH"	102.956829
"922655"	643.237186	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M-H+CF3COOH"	112.985586
"1296082"	679.213864	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Cl+CF3COOH"	148.962264
"1378254"	495.238924	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H-2H2O"	-35.012676
"1391739"	513.2489	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H-H2O"	-17.0027
"287051"	1061.510476	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+H"	1.007276
"686399"	1591.762076	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+H"	1.007276
"1358008"	531.258876	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H"	1.007276
"134184"	531.258876	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+2H"	2.014552
"572649"	796.384676	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+2H"	2.014552
"1043636"	266.133076	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2H"	2.014552
"211538"	354.508342666667	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+3H"	3.021828
"655471"	531.258876	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+3H"	3.021828
"1165212"	177.757809333333	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+3H"	3.021828
"429214"	1078.537023	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+NH4"	18.033823
"791301"	1608.788623	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+NH4"	18.033823
"1686538"	548.285423	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+NH4"	18.033823
"337003"	539.7721495	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+H+NH4"	19.041099
"730519"	804.8979495	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+H+NH4"	19.041099
"1480328"	274.6463495	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H+NH4"	19.041099
"392832"	1083.492418	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+Na"	22.989218
"761830"	1613.744018	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+Na"	22.989218
"1607740"	553.240818	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Na"	22.989218
"329860"	542.249847	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+H+Na"	23.996494
"722199"	807.375647	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+H+Na"	23.996494
"1476424"	277.124047	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H+Na"	23.996494
"1067722"	185.085123333333	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2H+Na"	25.00377
"1271347"	563.285086	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+CH3OH+H"	33.033486
"392606"	1099.466358	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+K"	38.963158
"753958"	1629.717958	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+K"	38.963158
"1554065"	569.214758	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+K"	38.963158
"309783"	550.236817	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+H+K"	39.970434
"705123"	815.362617	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+H+K"	39.970434
"1458212"	285.111017	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H+K"	39.970434
"250338"	1102.537026	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+ACN+H"	42.033826
"1224993"	572.285426	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+ACN+H"	42.033826
"1207782"	286.646351	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+ACN+2H"	43.041102
"200650"	1105.47436	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+2Na-H"	44.97116
"639482"	1635.72596	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+2Na-H"	44.97116
"1141167"	575.22276	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2Na-H"	44.97116
"182635"	553.240818	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+2Na"	45.978436
"621101"	818.366618	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+2Na"	45.978436
"1121329"	288.115018	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2Na"	45.978436
"1408861"	192.412437333333	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H+2Na"	46.985712
"1434779"	577.264346	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H+HCOOH"	47.012746
"223381"	558.27384	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+3H2O+2H"	56.04448
"1513628"	591.31639	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+IsoProp+H"	61.06479
"410762"	561.227788	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+Na+K"	61.952376
"774307"	826.353588	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+Na+K"	61.952376
"1667722"	296.101988	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Na+K"	61.952376
"252787"	1124.518968	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+ACN+Na"	64.015768
"1229880"	594.267368	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+ACN+Na"	64.015768
"1715484"	594.290893	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+NH4+HCOOH"	64.039293
"1181931"	199.739751333333	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+3Na"	68.967654
"1653650"	599.246288	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Na+HCOOH"	68.994688
"165251"	1137.42224	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+2K-H"	76.91904
"602990"	1667.67384	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+2K-H"	76.91904
"1090421"	607.17064	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2K-H"	76.91904
"149424"	569.214758	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"2M+2K"	77.926316
"594453"	834.340558	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"3M+2K"	77.926316
"1081156"	304.088958	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2K"	77.926316
"1114364"	609.185192	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2K+H"	78.933592
"1346373"	609.272807	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+DMSO+H"	79.021207
"1020617"	613.311976	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2ACN+H"	83.060376
"1538495"	614.305608	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+IsoProp+Na+H"	84.054008
"1002758"	307.159626	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+2ACN+2H"	84.067652
"1597259"	615.220228	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+K+HCOOH"	84.968628
"1424016"	645.251738	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+H+CF3COOH"	115.000138
"1152116"	327.672901	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+3ACN+2H"	125.094202
"1702762"	662.278285	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+NH4+CF3COOH"	132.026685
"1643881"	667.23368	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+Na+CF3COOH"	136.98208
"1581719"	683.20762	"C08883"	"Uscharidin"	"C29H38O9"	"530.2516"	"M+K+CF3COOH"	152.95602
"815368"	564.2934	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M"	0
"985619"	545.27501	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-H2O-H"	-19.01839
"73862"	375.188324	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M-3H"	-3.021828
"512328"	563.286124	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M-3H"	-3.021828
"891222"	187.090524	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-3H"	-3.021828
"9800"	563.286124	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M-2H"	-2.014552
"443893"	845.432824	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M-2H"	-2.014552
"824975"	281.139424	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-2H"	-2.014552
"83874"	1127.579524	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M-H"	-1.007276
"522339"	1691.872924	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M-H"	-1.007276
"899414"	563.286124	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-H"	-1.007276
"56707"	1144.606071	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M-2H+NH4"	16.019271
"494079"	1708.899471	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M-2H+NH4"	16.019271
"867141"	580.312671	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-2H+NH4"	16.019271
"45132"	1149.561466	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M-2H+Na"	20.974666
"484692"	1713.854866	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M-2H+Na"	20.974666
"854230"	585.268066	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-2H+Na"	20.974666
"1629965"	585.268066	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Na-2H"	20.974666
"101029"	581.274463	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M-H+Cl"	33.962126
"541683"	863.421163	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M-H+Cl"	33.962126
"941393"	299.127763	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-H+Cl"	33.962126
"275943"	1163.556202	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+Cl"	34.969402
"672737"	1727.849602	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+Cl"	34.969402
"1275300"	599.262802	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Cl"	34.969402
"20043"	1165.535406	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M-2H+K"	36.948606
"469455"	1729.828806	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M-2H+K"	36.948606
"847257"	601.242006	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-2H+K"	36.948606
"1568559"	601.242006	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+K-2H"	36.948606
"956446"	609.291594	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-H+HCOOH"	44.998194
"372478"	1173.585001	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+HCOOH-H"	44.998201
"358910"	1187.600651	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+Hac-H"	59.013851
"1504825"	623.307251	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Hac-H"	59.013851
"970542"	631.273551	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-H+NaCOOH"	66.980151
"122005"	599.262802	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+2Cl"	69.938804
"561925"	881.409502	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+2Cl"	69.938804
"1032182"	317.116102	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2Cl"	69.938804
"1252851"	643.212285	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Br"	78.918885
"1315298"	645.268272	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Cl+HCOOH"	80.974872
"1325139"	667.250229	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Cl+NaCOOH"	102.956829
"922765"	677.278986	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M-H+CF3COOH"	112.985586
"1298378"	713.255664	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Cl+CF3COOH"	148.962264
"1376541"	529.280724	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H-2H2O"	-35.012676
"1384194"	547.2907	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H-H2O"	-17.0027
"287161"	1129.594076	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+H"	1.007276
"685051"	1693.887476	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+H"	1.007276
"1358118"	565.300676	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H"	1.007276
"130651"	565.300676	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+2H"	2.014552
"569479"	847.447376	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+2H"	2.014552
"1038643"	283.153976	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2H"	2.014552
"209462"	377.202876	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+3H"	3.021828
"651209"	565.300676	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+3H"	3.021828
"1165322"	189.105076	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+3H"	3.021828
"424947"	1146.620623	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+NH4"	18.033823
"786789"	1710.914023	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+NH4"	18.033823
"1683363"	582.327223	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+NH4"	18.033823
"331643"	573.8139495	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+H+NH4"	19.041099
"724788"	855.9606495	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+H+NH4"	19.041099
"1479345"	291.6672495	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H+NH4"	19.041099
"393242"	1151.576018	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+Na"	22.989218
"758660"	1715.869418	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+Na"	22.989218
"1606756"	587.282618	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Na"	22.989218
"329643"	576.291647	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+H+Na"	23.996494
"721984"	858.438347	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+H+Na"	23.996494
"1476961"	294.144947	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H+Na"	23.996494
"1066497"	196.43239	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2H+Na"	25.00377
"1272657"	597.326886	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+CH3OH+H"	33.033486
"392471"	1167.549958	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+K"	38.963158
"754127"	1731.843358	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+K"	38.963158
"1553446"	603.256558	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+K"	38.963158
"313542"	584.278617	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+H+K"	39.970434
"705232"	866.425317	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+H+K"	39.970434
"1460512"	302.131917	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H+K"	39.970434
"249961"	1170.620626	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+ACN+H"	42.033826
"1222914"	606.327226	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+ACN+H"	42.033826
"1204612"	303.667251	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+ACN+2H"	43.041102
"201127"	1173.55796	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+2Na-H"	44.97116
"640686"	1737.85136	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+2Na-H"	44.97116
"1143829"	609.26456	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2Na-H"	44.97116
"181651"	587.282618	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+2Na"	45.978436
"624491"	869.429318	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+2Na"	45.978436
"1126543"	305.135918	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2Na"	45.978436
"1410066"	203.759704	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H+2Na"	46.985712
"1437078"	611.306146	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H+HCOOH"	47.012746
"230783"	592.31564	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+3H2O+2H"	56.04448
"1517021"	625.35819	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+IsoProp+H"	61.06479
"410145"	595.269588	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+Na+K"	61.952376
"774053"	877.416288	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+Na+K"	61.952376
"1666743"	313.122888	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Na+K"	61.952376
"251888"	1192.602568	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+ACN+Na"	64.015768
"1228897"	628.309168	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+ACN+Na"	64.015768
"1717054"	628.332693	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+NH4+HCOOH"	64.039293
"1181314"	211.087018	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+3Na"	68.967654
"1658500"	633.288088	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Na+HCOOH"	68.994688
"164272"	1205.50584	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+2K-H"	76.91904
"606019"	1769.79924	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+2K-H"	76.91904
"1099856"	641.21244	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2K-H"	76.91904
"155003"	603.256558	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"2M+2K"	77.926316
"595658"	885.403258	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"3M+2K"	77.926316
"1080172"	321.109858	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2K"	77.926316
"1111196"	643.226992	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2K+H"	78.933592
"1350738"	643.314607	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+DMSO+H"	79.021207
"1020485"	647.353776	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2ACN+H"	83.060376
"1539339"	648.347408	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+IsoProp+Na+H"	84.054008
"1004934"	324.180526	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+2ACN+2H"	84.067652
"1600651"	649.262028	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+K+HCOOH"	84.968628
"1417563"	679.293538	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+H+CF3COOH"	115.000138
"1152224"	344.693801	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+3ACN+2H"	125.094202
"1702871"	696.320085	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+NH4+CF3COOH"	132.026685
"1640711"	701.27548	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+Na+CF3COOH"	136.98208
"1581829"	717.24942	"C08884"	"Vernadigin;Strophadogenin 3-O-beta-D-diginoside"	"C30H44O10"	"564.2934"	"M+K+CF3COOH"	152.95602
"812195"	592.3611	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M"	0
"987920"	573.34271	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-H2O-H"	-19.01839
"76159"	393.900124	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M-3H"	-3.021828
"512438"	591.353824	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M-3H"	-3.021828
"886958"	196.446424	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-3H"	-3.021828
"9910"	591.353824	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M-2H"	-2.014552
"444003"	887.534374	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M-2H"	-2.014552
"825085"	295.173274	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-2H"	-2.014552
"83984"	1183.714924	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M-H"	-1.007276
"522449"	1776.076024	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M-H"	-1.007276
"899524"	591.353824	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-H"	-1.007276
"55723"	1200.741471	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M-2H+NH4"	16.019271
"492002"	1793.102571	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M-2H+NH4"	16.019271
"866887"	608.380371	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-2H+NH4"	16.019271
"45363"	1205.696866	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M-2H+Na"	20.974666
"485288"	1798.057966	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M-2H+Na"	20.974666
"853976"	613.335766	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-2H+Na"	20.974666
"1632992"	613.335766	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Na-2H"	20.974666
"104419"	609.342163	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M-H+Cl"	33.962126
"547143"	905.522713	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M-H+Cl"	33.962126
"940171"	313.161613	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-H+Cl"	33.962126
"278238"	1219.691602	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+Cl"	34.969402
"671754"	1812.052702	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+Cl"	34.969402
"1281971"	627.330502	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Cl"	34.969402
"23433"	1221.670806	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M-2H+K"	36.948606
"464827"	1814.031906	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M-2H+K"	36.948606
"846274"	629.309706	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-2H+K"	36.948606
"1569033"	629.309706	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+K-2H"	36.948606
"957972"	637.359294	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-H+HCOOH"	44.998194
"374775"	1229.720401	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+HCOOH-H"	44.998201
"360477"	1243.736051	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+Hac-H"	59.013851
"1504934"	651.374951	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Hac-H"	59.013851
"971382"	659.341251	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-H+NaCOOH"	66.980151
"122112"	627.330502	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+2Cl"	69.938804
"560943"	923.511052	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+2Cl"	69.938804
"1027919"	331.149952	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2Cl"	69.938804
"1249680"	671.279985	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Br"	78.918885
"1315407"	673.335972	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Cl+HCOOH"	80.974872
"1324155"	695.317929	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Cl+NaCOOH"	102.956829
"921781"	705.346686	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M-H+CF3COOH"	112.985586
"1297395"	741.323364	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Cl+CF3COOH"	148.962264
"1375557"	557.348424	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H-2H2O"	-35.012676
"1387584"	575.3584	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H-H2O"	-17.0027
"289457"	1185.729476	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+H"	1.007276
"685161"	1778.090576	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+H"	1.007276
"1359321"	593.368376	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H"	1.007276
"132948"	593.368376	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+2H"	2.014552
"567767"	889.548926	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+2H"	2.014552
"1043856"	297.187826	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2H"	2.014552
"210665"	395.914676	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+3H"	3.021828
"652412"	593.368376	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+3H"	3.021828
"1167254"	198.460976	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+3H"	3.021828
"426514"	1202.756023	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+NH4"	18.033823
"788233"	1795.117123	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+NH4"	18.033823
"1684200"	610.394923	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+NH4"	18.033823
"332117"	601.8816495	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+H+NH4"	19.041099
"724169"	898.0621995	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+H+NH4"	19.041099
"1481277"	305.7010995	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H+NH4"	19.041099
"393231"	1207.711418	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+Na"	22.989218
"759859"	1800.072518	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+Na"	22.989218
"1606864"	615.350318	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Na"	22.989218
"317999"	604.359347	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+H+Na"	23.996494
"720636"	900.539897	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+H+Na"	23.996494
"1474822"	308.178797	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H+Na"	23.996494
"1065149"	205.78829	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2H+Na"	25.00377
"1272391"	625.394586	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+CH3OH+H"	33.033486
"392585"	1223.685358	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+K"	38.963158
"753577"	1816.046458	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+K"	38.963158
"1555144"	631.324258	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+K"	38.963158
"313657"	612.346317	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+H+K"	39.970434
"704251"	908.526867	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+H+K"	39.970434
"1459531"	316.165767	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H+K"	39.970434
"250192"	1226.756026	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+ACN+H"	42.033826
"1223394"	634.394926	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+ACN+H"	42.033826
"1206915"	317.701101	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+ACN+2H"	43.041102
"200873"	1229.69336	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+2Na-H"	44.97116
"640431"	1822.05446	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+2Na-H"	44.97116
"1142843"	637.33226	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2Na-H"	44.97116
"185042"	615.350318	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+2Na"	45.978436
"626060"	911.530868	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+2Na"	45.978436
"1127018"	319.169768	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2Na"	45.978436
"1410178"	213.115604	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H+2Na"	46.985712
"1438282"	639.373846	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H+HCOOH"	47.012746
"230163"	620.38334	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+3H2O+2H"	56.04448
"1512758"	653.42589	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+IsoProp+H"	61.06479
"411351"	623.337288	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+Na+K"	61.952376
"773800"	919.517838	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+Na+K"	61.952376
"1666369"	327.156738	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Na+K"	61.952376
"251752"	1248.737968	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+ACN+Na"	64.015768
"1233382"	656.376868	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+ACN+Na"	64.015768
"1716801"	656.400393	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+NH4+HCOOH"	64.039293
"1181424"	220.442918	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+3Na"	68.967654
"1658610"	661.355788	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Na+HCOOH"	68.994688
"165475"	1261.64124	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+2K-H"	76.91904
"612533"	1854.00234	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+2K-H"	76.91904
"1099761"	669.28014	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2K-H"	76.91904
"156577"	631.324258	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"2M+2K"	77.926316
"596621"	927.504808	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"3M+2K"	77.926316
"1082470"	335.143708	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2K"	77.926316
"1111306"	671.294692	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2K+H"	78.933592
"1349148"	671.382307	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+DMSO+H"	79.021207
"1018409"	675.421476	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2ACN+H"	83.060376
"1535439"	676.415108	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+IsoProp+Na+H"	84.054008
"1000793"	338.214376	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+2ACN+2H"	84.067652
"1600764"	677.329728	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+K+HCOOH"	84.968628
"1424236"	707.361238	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+H+CF3COOH"	115.000138
"1152335"	358.727651	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+3ACN+2H"	125.094202
"1706262"	724.387785	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+NH4+CF3COOH"	132.026685
"1644101"	729.34318	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+Na+CF3COOH"	136.98208
"1581939"	745.31712	"C08885"	"Agavoside A"	"C33H52O9"	"592.3611"	"M+K+CF3COOH"	152.95602
"812305"	578.3819	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M"	0
"985839"	559.36351	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-H2O-H"	-19.01839
"68614"	384.580657333333	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M-3H"	-3.021828
"509266"	577.374624	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M-3H"	-3.021828
"884151"	191.786690666667	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-3H"	-3.021828
"4548"	577.374624	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M-2H"	-2.014552
"452861"	866.565574	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M-2H"	-2.014552
"826291"	288.183674	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-2H"	-2.014552
"87374"	1155.756524	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M-H"	-1.007276
"530216"	1734.138424	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M-H"	-1.007276
"903643"	577.374624	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-H"	-1.007276
"54740"	1172.783071	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M-2H+NH4"	16.019271
"494299"	1751.164971	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M-2H+NH4"	16.019271
"873195"	594.401171	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-2H+NH4"	16.019271
"45109"	1177.738466	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M-2H+Na"	20.974666
"482846"	1756.120366	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M-2H+Na"	20.974666
"851899"	599.356566	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-2H+Na"	20.974666
"1633465"	599.356566	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Na-2H"	20.974666
"104528"	595.362963	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M-H+Cl"	33.962126
"548710"	884.553913	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M-H+Cl"	33.962126
"941133"	306.172013	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-H+Cl"	33.962126
"278348"	1191.733202	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+Cl"	34.969402
"662384"	1770.115102	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+Cl"	34.969402
"1282081"	613.351302	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Cl"	34.969402
"19168"	1193.712406	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M-2H+K"	36.948606
"467852"	1772.094306	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M-2H+K"	36.948606
"845290"	615.330506	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-2H+K"	36.948606
"1568412"	615.330506	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+K-2H"	36.948606
"957395"	623.380094	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-H+HCOOH"	44.998194
"373062"	1201.762001	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+HCOOH-H"	44.998201
"358766"	1215.777651	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+Hac-H"	59.013851
"1503220"	637.395751	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Hac-H"	59.013851
"969303"	645.362051	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-H+NaCOOH"	66.980151
"120762"	613.351302	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+2Cl"	69.938804
"561416"	902.542252	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+2Cl"	69.938804
"1029119"	324.160352	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2Cl"	69.938804
"1247603"	657.300785	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Br"	78.918885
"1311144"	659.356772	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Cl+HCOOH"	80.974872
"1323535"	681.338729	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Cl+NaCOOH"	102.956829
"920797"	691.367486	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M-H+CF3COOH"	112.985586
"1297504"	727.344164	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Cl+CF3COOH"	148.962264
"1377853"	543.369224	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H-2H2O"	-35.012676
"1394255"	561.3792	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H-H2O"	-17.0027
"287380"	1157.771076	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+H"	1.007276
"685272"	1736.152976	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+H"	1.007276
"1359433"	579.389176	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H"	1.007276
"130140"	579.389176	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+2H"	2.014552
"567145"	868.580126	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+2H"	2.014552
"1039712"	290.198226	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2H"	2.014552
"208585"	386.595209333333	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+3H"	3.021828
"648145"	579.389176	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+3H"	3.021828
"1166269"	193.801242666667	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+3H"	3.021828
"426259"	1174.797623	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+NH4"	18.033823
"787983"	1753.179523	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+NH4"	18.033823
"1684309"	596.415723	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+NH4"	18.033823
"332953"	587.9024495	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+H+NH4"	19.041099
"723548"	877.0933995	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+H+NH4"	19.041099
"1478465"	298.7114995	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H+NH4"	19.041099
"394595"	1179.753018	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+Na"	22.989218
"762155"	1758.134918	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+Na"	22.989218
"1607338"	601.371118	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Na"	22.989218
"319202"	590.380147	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+H+Na"	23.996494
"720501"	879.571097	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+H+Na"	23.996494
"1474197"	301.189197	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H+Na"	23.996494
"1067867"	201.128556666667	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2H+Na"	25.00377
"1272336"	611.415386	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+CH3OH+H"	33.033486
"392049"	1195.726958	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+K"	38.963158
"753445"	1774.108858	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+K"	38.963158
"1554774"	617.345058	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+K"	38.963158
"313645"	598.367117	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+H+K"	39.970434
"706432"	887.558067	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+H+K"	39.970434
"1460010"	309.176167	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H+K"	39.970434
"249697"	1198.797626	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+ACN+H"	42.033826
"1223870"	620.415726	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+ACN+H"	42.033826
"1207750"	310.711501	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+ACN+2H"	43.041102
"202563"	1201.73496	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+2Na-H"	44.97116
"639448"	1780.11686	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+2Na-H"	44.97116
"1143684"	623.35306	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2Na-H"	44.97116
"186368"	601.371118	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+2Na"	45.978436
"624711"	890.562068	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+2Na"	45.978436
"1128221"	312.180168	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2Na"	45.978436
"1412593"	208.455870666667	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H+2Na"	46.985712
"1443742"	625.394646	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H+HCOOH"	47.012746
"231367"	606.40414	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+3H2O+2H"	56.04448
"1515055"	639.44669	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+IsoProp+H"	61.06479
"413649"	609.358088	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+Na+K"	61.952376
"773549"	898.549038	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+Na+K"	61.952376
"1669884"	320.167138	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Na+K"	61.952376
"256405"	1220.779568	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+ACN+Na"	64.015768
"1235680"	642.397668	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+ACN+Na"	64.015768
"1719098"	642.421193	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+NH4+HCOOH"	64.039293
"1189920"	215.783184666667	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+3Na"	68.967654
"1659813"	647.376588	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Na+HCOOH"	68.994688
"171904"	1233.68284	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+2K-H"	76.91904
"612199"	1812.06474	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+2K-H"	76.91904
"1099504"	655.30094	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2K-H"	76.91904
"156689"	617.345058	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"2M+2K"	77.926316
"596729"	906.536008	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"3M+2K"	77.926316
"1082579"	328.154108	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2K"	77.926316
"1111416"	657.315492	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2K+H"	78.933592
"1349986"	657.403107	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+DMSO+H"	79.021207
"1019613"	661.442276	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2ACN+H"	83.060376
"1537736"	662.435908	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+IsoProp+Na+H"	84.054008
"1000904"	331.224776	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+2ACN+2H"	84.067652
"1595407"	663.350528	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+K+HCOOH"	84.968628
"1423253"	693.382038	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+H+CF3COOH"	115.000138
"1155725"	351.738051	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+3ACN+2H"	125.094202
"1706372"	710.408585	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+NH4+CF3COOH"	132.026685
"1644211"	715.36398	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+Na+CF3COOH"	136.98208
"1582049"	731.33792	"C08886"	"Asparagoside A;(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside"	"C33H54O8"	"578.3819"	"M+K+CF3COOH"	152.95602
"809135"	1062.5247	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M"	0
"984856"	1043.50631	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-H2O-H"	-19.01839
"68724"	707.342524	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M-3H"	-3.021828
"507188"	1061.517424	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M-3H"	-3.021828
"881708"	353.167624	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-3H"	-3.021828
"3565"	1061.517424	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M-2H"	-2.014552
"445316"	1592.779774	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M-2H"	-2.014552
"829681"	530.255074	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-2H"	-2.014552
"86391"	2124.042124	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M-H"	-1.007276
"530326"	3186.566824	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M-H"	-1.007276
"905941"	1061.517424	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-H"	-1.007276
"58130"	2141.068671	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M-2H+NH4"	16.019271
"496595"	3203.593371	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M-2H+NH4"	16.019271
"868199"	1078.543971	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-2H+NH4"	16.019271
"45462"	2146.024066	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M-2H+Na"	20.974666
"482956"	3208.548766	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M-2H+Na"	20.974666
"850916"	1083.499366	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-2H+Na"	20.974666
"1632482"	1083.499366	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Na-2H"	20.974666
"108532"	1079.505763	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M-H+Cl"	33.962126
"547480"	1610.768113	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M-H+Cl"	33.962126
"942455"	548.243413	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-H+Cl"	33.962126
"280645"	2160.018802	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+Cl"	34.969402
"668693"	3222.543502	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+Cl"	34.969402
"1280004"	1097.494102	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Cl"	34.969402
"22559"	2161.998006	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M-2H+K"	36.948606
"470396"	3224.522706	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M-2H+K"	36.948606
"847469"	1099.473306	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-2H+K"	36.948606
"1570591"	1099.473306	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+K-2H"	36.948606
"953500"	1107.522894	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-H+HCOOH"	44.998194
"374628"	2170.047601	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+HCOOH-H"	44.998201
"359607"	2184.063251	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+Hac-H"	59.013851
"1505888"	1121.538551	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Hac-H"	59.013851
"971604"	1129.504851	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-H+NaCOOH"	66.980151
"120874"	1097.494102	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+2Cl"	69.938804
"560439"	1628.756452	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+2Cl"	69.938804
"1035432"	566.231752	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2Cl"	69.938804
"1250996"	1141.443585	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Br"	78.918885
"1313443"	1143.499572	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Cl+HCOOH"	80.974872
"1326564"	1165.481529	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Cl+NaCOOH"	102.956829
"923094"	1175.510286	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M-H+CF3COOH"	112.985586
"1299802"	1211.486964	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Cl+CF3COOH"	148.962264
"1376871"	1027.512024	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H-2H2O"	-35.012676
"1388899"	1045.522	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H-H2O"	-17.0027
"284937"	2126.056676	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+H"	1.007276
"676269"	3188.581376	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+H"	1.007276
"1354075"	1063.531976	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H"	1.007276
"135718"	1063.531976	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+2H"	2.014552
"567987"	1594.794326	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+2H"	2.014552
"1041160"	532.269626	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2H"	2.014552
"207604"	709.357076	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+3H"	3.021828
"651539"	1063.531976	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+3H"	3.021828
"1166381"	355.182176	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+3H"	3.021828
"426732"	2143.083223	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+NH4"	18.033823
"787362"	3205.607923	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+NH4"	18.033823
"1684420"	1080.558523	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+NH4"	18.033823
"332335"	1072.0452495	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+H+NH4"	19.041099
"725485"	1603.3075995	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+H+NH4"	19.041099
"1478211"	540.7828995	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H+NH4"	19.041099
"395798"	2148.038618	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+Na"	22.989218
"763362"	3210.563318	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+Na"	22.989218
"1612552"	1085.513918	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Na"	22.989218
"321498"	1074.522947	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+H+Na"	23.996494
"717203"	1605.785297	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+H+Na"	23.996494
"1469929"	543.260597	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H+Na"	23.996494
"1067559"	362.50949	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2H+Na"	25.00377
"1270332"	1095.558186	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+CH3OH+H"	33.033486
"392682"	2164.012558	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+K"	38.963158
"754080"	3226.537258	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+K"	38.963158
"1555127"	1101.487858	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+K"	38.963158
"313598"	1082.509917	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+H+K"	39.970434
"704471"	1613.772267	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+H+K"	39.970434
"1459752"	551.247567	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H+K"	39.970434
"248349"	2167.083226	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+ACN+H"	42.033826
"1219966"	1104.558526	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+ACN+H"	42.033826
"1204943"	552.782901	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+ACN+2H"	43.041102
"198905"	2170.02056	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+2Na-H"	44.97116
"638464"	3232.54526	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+2Na-H"	44.97116
"1139785"	1107.49586	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2Na-H"	44.97116
"180888"	1085.513918	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+2Na"	45.978436
"616074"	1616.776268	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+2Na"	45.978436
"1127236"	554.251568	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2Na"	45.978436
"1407477"	369.836804	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H+2Na"	46.985712
"1438501"	1109.537446	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H+HCOOH"	47.012746
"226009"	1090.54694	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+3H2O+2H"	56.04448
"1514070"	1123.58949	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+IsoProp+H"	61.06479
"411933"	1093.500888	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+Na+K"	61.952376
"775843"	1624.763238	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+Na+K"	61.952376
"1667074"	562.238538	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Na+K"	61.952376
"254322"	2189.065168	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+ACN+Na"	64.015768
"1233603"	1126.540468	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+ACN+Na"	64.015768
"1719209"	1126.563993	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+NH4+HCOOH"	64.039293
"1188575"	377.164118	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+3Na"	68.967654
"1657737"	1131.519388	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Na+HCOOH"	68.994688
"170069"	2201.96844	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+2K-H"	76.91904
"608538"	3264.49314	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+2K-H"	76.91904
"1097424"	1139.44374	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2K-H"	76.91904
"149867"	1101.487858	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"2M+2K"	77.926316
"595866"	1632.750208	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"3M+2K"	77.926316
"1077221"	570.225508	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2K"	77.926316
"1112621"	1141.458292	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2K+H"	78.933592
"1346815"	1141.545907	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+DMSO+H"	79.021207
"1018626"	1145.585076	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2ACN+H"	83.060376
"1533472"	1146.578708	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+IsoProp+Na+H"	84.054008
"1001014"	573.296176	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+2ACN+2H"	84.067652
"1597704"	1147.493328	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+K+HCOOH"	84.968628
"1418990"	1177.524838	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+H+CF3COOH"	115.000138
"1158757"	593.809451	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+3ACN+2H"	125.094202
"1710857"	1194.551385	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+NH4+CF3COOH"	132.026685
"1649425"	1199.50678	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+Na+CF3COOH"	136.98208
"1582159"	1215.48072	"C08887"	"Avenacoside A;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C51H82O23"	"1062.5247"	"M+K+CF3COOH"	152.95602
"805965"	1224.5775	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M"	0
"975851"	1205.55911	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-H2O-H"	-19.01839
"66644"	815.377724	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M-3H"	-3.021828
"504866"	1223.570224	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M-3H"	-3.021828
"880397"	407.185224	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-3H"	-3.021828
"1971"	1223.570224	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M-2H"	-2.014552
"440478"	1835.858974	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M-2H"	-2.014552
"818851"	611.281474	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-2H"	-2.014552
"83219"	2448.147724	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M-H"	-1.007276
"523874"	3672.725224	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M-H"	-1.007276
"906051"	1223.570224	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-H"	-1.007276
"57147"	2465.174271	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M-2H+NH4"	16.019271
"496705"	3689.751771	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M-2H+NH4"	16.019271
"868674"	1240.596771	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-2H+NH4"	16.019271
"35119"	2470.129666	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M-2H+Na"	20.974666
"475045"	3694.707166	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M-2H+Na"	20.974666
"850659"	1245.552166	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-2H+Na"	20.974666
"1630403"	1245.552166	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Na-2H"	20.974666
"106935"	1241.558563	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M-H+Cl"	33.962126
"547590"	1853.847313	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M-H+Cl"	33.962126
"940011"	629.269813	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-H+Cl"	33.962126
"277474"	2484.124402	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+Cl"	34.969402
"669894"	3708.701902	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+Cl"	34.969402
"1277921"	1259.546902	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Cl"	34.969402
"18657"	2486.103606	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M-2H+K"	36.948606
"471375"	3710.681106	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M-2H+K"	36.948606
"848445"	1261.526106	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-2H+K"	36.948606
"1569728"	1261.526106	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+K-2H"	36.948606
"957741"	1269.575694	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-H+HCOOH"	44.998194
"376076"	2494.153201	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+HCOOH-H"	44.998201
"358988"	2508.168851	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+Hac-H"	59.013851
"1505992"	1283.591351	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Hac-H"	59.013851
"971714"	1291.557651	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-H+NaCOOH"	66.980151
"122077"	1259.546902	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+2Cl"	69.938804
"562731"	1871.835652	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+2Cl"	69.938804
"1035177"	647.258152	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2Cl"	69.938804
"1252565"	1303.496385	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Br"	78.918885
"1316832"	1305.552372	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Cl+HCOOH"	80.974872
"1324851"	1327.534329	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Cl+NaCOOH"	102.956829
"922112"	1337.563086	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M-H+CF3COOH"	112.985586
"1301006"	1373.539764	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Cl+CF3COOH"	148.962264
"1378803"	1189.564824	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H-2H2O"	-35.012676
"1391195"	1207.5748	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H-H2O"	-17.0027
"285168"	2450.162276	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+H"	1.007276
"678928"	3674.739776	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+H"	1.007276
"1355277"	1225.584776	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H"	1.007276
"133641"	1225.584776	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+2H"	2.014552
"568097"	1837.873526	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+2H"	2.014552
"1040906"	613.296026	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2H"	2.014552
"209900"	817.392276	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+3H"	3.021828
"650555"	1225.584776	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+3H"	3.021828
"1165398"	409.199776	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+3H"	3.021828
"424657"	2467.188823	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+NH4"	18.033823
"786380"	3691.766323	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+NH4"	18.033823
"1682342"	1242.611323	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+NH4"	18.033823
"331352"	1234.0980495	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+H+NH4"	19.041099
"723650"	1846.3867995	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+H+NH4"	19.041099
"1478685"	621.8092995	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H+NH4"	19.041099
"395057"	2472.144218	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+Na"	22.989218
"754306"	3696.721718	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+Na"	22.989218
"1606100"	1247.566718	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Na"	22.989218
"320514"	1236.575747	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+H+Na"	23.996494
"717313"	1848.864497	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+H+Na"	23.996494
"1468943"	624.286997	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H+Na"	23.996494
"1068397"	416.52709	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2H+Na"	25.00377
"1270807"	1257.610986	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+CH3OH+H"	33.033486
"390478"	2488.118158	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+K"	38.963158
"752203"	3712.695658	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+K"	38.963158
"1552066"	1263.540658	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+K"	38.963158
"314218"	1244.562717	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+H+K"	39.970434
"707043"	1856.851467	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+H+K"	39.970434
"1456575"	632.273967	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H+K"	39.970434
"245175"	2491.188826	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+ACN+H"	42.033826
"1220076"	1266.611326	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+ACN+H"	42.033826
"1202866"	633.809301	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+ACN+2H"	43.041102
"200109"	2494.12616	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+2Na-H"	44.97116
"638575"	3718.70366	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+2Na-H"	44.97116
"1137708"	1269.54866	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2Na-H"	44.97116
"179904"	1247.566718	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+2Na"	45.978436
"619464"	1859.855468	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+2Na"	45.978436
"1126253"	635.277968	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2Na"	45.978436
"1406494"	423.854404	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H+2Na"	46.985712
"1435331"	1271.590246	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H+HCOOH"	47.012746
"230493"	1252.59974	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+3H2O+2H"	56.04448
"1514180"	1285.64229	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+IsoProp+H"	61.06479
"412772"	1255.553688	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+Na+K"	61.952376
"774860"	1867.842438	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+Na+K"	61.952376
"1666818"	643.264938	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Na+K"	61.952376
"254432"	2513.170768	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+ACN+Na"	64.015768
"1233713"	1288.593268	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+ACN+Na"	64.015768
"1720409"	1288.616793	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+NH4+HCOOH"	64.039293
"1190871"	431.181718	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+3Na"	68.967654
"1658940"	1293.572188	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Na+HCOOH"	68.994688
"167992"	2526.07404	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+2K-H"	76.91904
"605365"	3750.65154	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+2K-H"	76.91904
"1098874"	1301.49654	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2K-H"	76.91904
"153257"	1263.540658	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"2M+2K"	77.926316
"596345"	1875.829408	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"3M+2K"	77.926316
"1081704"	651.251908	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2K"	77.926316
"1113820"	1303.511092	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2K+H"	78.933592
"1349112"	1303.598707	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+DMSO+H"	79.021207
"1019830"	1307.637876	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2ACN+H"	83.060376
"1536867"	1308.631508	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+IsoProp+Na+H"	84.054008
"1000031"	654.322576	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+2ACN+2H"	84.067652
"1599639"	1309.546128	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+K+HCOOH"	84.968628
"1424567"	1339.577638	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+H+CF3COOH"	115.000138
"1159231"	674.835851	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+3ACN+2H"	125.094202
"1709874"	1356.604185	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+NH4+CF3COOH"	132.026685
"1649171"	1361.55958	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+Na+CF3COOH"	136.98208
"1582269"	1377.53352	"C08888"	"Avenacoside B;Nuatigenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside"	"C57H92O28"	"1224.5775"	"M+K+CF3COOH"	152.95602
"809356"	1422.6515	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M"	0
"976328"	1403.63311	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-H2O-H"	-19.01839
"64568"	947.427057333333	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M-3H"	-3.021828
"503275"	1421.644224	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M-3H"	-3.021828
"879942"	473.209890666667	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-3H"	-3.021828
"1960"	1421.644224	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M-2H"	-2.014552
"440025"	2132.969974	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M-2H"	-2.014552
"817987"	710.318474	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-2H"	-2.014552
"81506"	2844.295724	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M-H"	-1.007276
"523984"	4266.947224	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M-H"	-1.007276
"906161"	1421.644224	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-H"	-1.007276
"56163"	2861.322271	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M-2H+NH4"	16.019271
"497909"	4283.973771	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M-2H+NH4"	16.019271
"870243"	1438.670771	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-2H+NH4"	16.019271
"33408"	2866.277666	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M-2H+Na"	20.974666
"474062"	4288.929166	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M-2H+Na"	20.974666
"850405"	1443.626166	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-2H+Na"	20.974666
"1631606"	1443.626166	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Na-2H"	20.974666
"107045"	1439.632563	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M-H+Cl"	33.962126
"546607"	2150.958313	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M-H+Cl"	33.962126
"940121"	728.306813	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-H+Cl"	33.962126
"277584"	2880.272402	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+Cl"	34.969402
"668910"	4302.923902	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+Cl"	34.969402
"1276937"	1457.620902	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Cl"	34.969402
"18403"	2882.251606	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M-2H+K"	36.948606
"464528"	4304.903106	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M-2H+K"	36.948606
"848381"	1459.600106	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-2H+K"	36.948606
"1569473"	1459.600106	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+K-2H"	36.948606
"957811"	1467.649694	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-H+HCOOH"	44.998194
"376148"	2890.301201	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+HCOOH-H"	44.998201
"358004"	2904.316851	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+Hac-H"	59.013851
"1506106"	1481.665351	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Hac-H"	59.013851
"971826"	1489.631651	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-H+NaCOOH"	66.980151
"122551"	1457.620902	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+2Cl"	69.938804
"560652"	2168.946652	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+2Cl"	69.938804
"1028721"	746.295152	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2Cl"	69.938804
"1251216"	1501.570385	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Br"	78.918885
"1314756"	1503.626372	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Cl+HCOOH"	80.974872
"1327877"	1525.608329	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Cl+NaCOOH"	102.956829
"920031"	1535.637086	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M-H+CF3COOH"	112.985586
"1291635"	1571.613764	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Cl+CF3COOH"	148.962264
"1378913"	1387.638824	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H-2H2O"	-35.012676
"1386930"	1405.6488	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H-H2O"	-17.0027
"285154"	2846.310276	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+H"	1.007276
"678674"	4268.961776	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+H"	1.007276
"1355023"	1423.658776	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H"	1.007276
"135941"	1423.658776	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+2H"	2.014552
"575498"	2134.984526	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+2H"	2.014552
"1041016"	712.333026	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2H"	2.014552
"207823"	949.441609333333	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+3H"	3.021828
"653946"	1423.658776	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+3H"	3.021828
"1166602"	475.224442666667	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+3H"	3.021828
"427686"	2863.336823	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+NH4"	18.033823
"791961"	4285.988323	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+NH4"	18.033823
"1681764"	1440.685323	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+NH4"	18.033823
"330245"	1432.1720495	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+H+NH4"	19.041099
"723886"	2143.4977995	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+H+NH4"	19.041099
"1478552"	720.8462995	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H+NH4"	19.041099
"393832"	2868.292218	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+Na"	22.989218
"754579"	4290.943718	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+Na"	22.989218
"1609492"	1445.640718	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Na"	22.989218
"321720"	1434.649747	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+H+Na"	23.996494
"715235"	2145.975497	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+H+Na"	23.996494
"1465773"	723.323997	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H+Na"	23.996494
"1067413"	482.551756666667	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2H+Na"	25.00377
"1272296"	1455.684986	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+CH3OH+H"	33.033486
"391317"	2884.266158	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+K"	38.963158
"751220"	4306.917658	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+K"	38.963158
"1555175"	1461.614658	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+K"	38.963158
"313122"	1442.636717	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+H+K"	39.970434
"706879"	2153.962467	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+H+K"	39.970434
"1459964"	731.310967	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H+K"	39.970434
"245285"	2887.336826	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+ACN+H"	42.033826
"1222373"	1464.685326	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+ACN+H"	42.033826
"1206256"	732.846301	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+ACN+2H"	43.041102
"201312"	2890.27416	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+2Na-H"	44.97116
"639778"	4312.92566	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+2Na-H"	44.97116
"1137818"	1467.62266	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2Na-H"	44.97116
"177827"	1445.640718	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+2Na"	45.978436
"618481"	2156.966468	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+2Na"	45.978436
"1126363"	734.314968	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2Na"	45.978436
"1406604"	489.879070666667	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H+2Na"	46.985712
"1433255"	1469.664246	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H+HCOOH"	47.012746
"228416"	1450.67374	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+3H2O+2H"	56.04448
"1517570"	1483.71629	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+IsoProp+H"	61.06479
"411789"	1453.627688	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+Na+K"	61.952376
"776063"	2164.953438	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+Na+K"	61.952376
"1666566"	742.301938	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Na+K"	61.952376
"254542"	2909.318768	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+ACN+Na"	64.015768
"1234918"	1486.667268	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+ACN+Na"	64.015768
"1720523"	1486.690793	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+NH4+HCOOH"	64.039293
"1190254"	497.206384666667	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+3Na"	68.967654
"1664521"	1491.646188	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Na+HCOOH"	68.994688
"171384"	2922.22204	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+2K-H"	76.91904
"612365"	4344.87354	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+2K-H"	76.91904
"1099634"	1499.57054	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2K-H"	76.91904
"155554"	1461.614658	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"2M+2K"	77.926316
"595844"	2172.940408	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"3M+2K"	77.926316
"1083639"	750.288908	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2K"	77.926316
"1110652"	1501.585092	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2K+H"	78.933592
"1347036"	1501.672707	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+DMSO+H"	79.021207
"1018846"	1505.711876	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2ACN+H"	83.060376
"1538916"	1506.705508	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+IsoProp+Na+H"	84.054008
"1003298"	753.359576	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+2ACN+2H"	84.067652
"1599015"	1507.620128	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+K+HCOOH"	84.968628
"1424678"	1537.651638	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+H+CF3COOH"	115.000138
"1160434"	773.872851	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+3ACN+2H"	125.094202
"1709984"	1554.678185	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+NH4+CF3COOH"	132.026685
"1648552"	1559.63358	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+Na+CF3COOH"	136.98208
"1582379"	1575.60752	"C08889"	"Capsicoside A"	"C63H106O35"	"1422.6515"	"M+K+CF3COOH"	152.95602
"812744"	448.3189	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M"	0
"977531"	429.30051	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-H2O-H"	-19.01839
"64678"	297.871990666667	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M-3H"	-3.021828
"503263"	447.311624	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M-3H"	-3.021828
"880102"	148.432357333333	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-3H"	-3.021828
"1706"	447.311624	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M-2H"	-2.014552
"440091"	671.471074	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M-2H"	-2.014552
"817650"	223.152174	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-2H"	-2.014552
"83437"	895.630524	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M-H"	-1.007276
"519223"	1343.949424	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M-H"	-1.007276
"897880"	447.311624	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-H"	-1.007276
"54082"	912.657071	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M-2H+NH4"	16.019271
"495834"	1360.975971	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M-2H+NH4"	16.019271
"872541"	464.338171	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-2H+NH4"	16.019271
"34247"	917.612466	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M-2H+Na"	20.974666
"474537"	1365.931366	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M-2H+Na"	20.974666
"850151"	469.293566	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-2H+Na"	20.974666
"1629530"	469.293566	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Na-2H"	20.974666
"103874"	465.299963	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M-H+Cl"	33.962126
"540155"	689.459413	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M-H+Cl"	33.962126
"935857"	241.140513	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-H+Cl"	33.962126
"272226"	931.607202	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+Cl"	34.969402
"666833"	1379.926102	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+Cl"	34.969402
"1273277"	483.288302	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Cl"	34.969402
"17418"	933.586406	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M-2H+K"	36.948606
"463545"	1381.905306	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M-2H+K"	36.948606
"841356"	485.267506	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-2H+K"	36.948606
"1561562"	485.267506	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+K-2H"	36.948606
"957834"	493.317094	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-H+HCOOH"	44.998194
"376174"	941.636001	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+HCOOH-H"	44.998201
"361190"	955.651651	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+Hac-H"	59.013851
"1505483"	507.332751	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Hac-H"	59.013851
"971569"	515.299051	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-H+NaCOOH"	66.980151
"121202"	483.288302	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+2Cl"	69.938804
"557480"	707.447752	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+2Cl"	69.938804
"1027373"	259.128852	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2Cl"	69.938804
"1248044"	527.237785	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Br"	78.918885
"1314866"	529.293772	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Cl+HCOOH"	80.974872
"1327987"	551.275729	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Cl+NaCOOH"	102.956829
"916861"	561.304486	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M-H+CF3COOH"	112.985586
"1294662"	597.281164	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Cl+CF3COOH"	148.962264
"1373918"	413.306224	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H-2H2O"	-35.012676
"1385216"	431.3162	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H-H2O"	-17.0027
"283191"	897.645076	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+H"	1.007276
"679514"	1345.963976	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+H"	1.007276
"1351726"	449.326176	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H"	1.007276
"126928"	449.326176	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+2H"	2.014552
"567953"	673.485626	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+2H"	2.014552
"1041126"	225.166726	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2H"	2.014552
"207933"	299.886542666667	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+3H"	3.021828
"650776"	449.326176	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+3H"	3.021828
"1167805"	150.446909333333	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+3H"	3.021828
"428889"	914.671623	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+NH4"	18.033823
"790978"	1362.990523	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+NH4"	18.033823
"1681510"	466.352723	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+NH4"	18.033823
"330842"	457.8394495	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+H+NH4"	19.041099
"724117"	681.9988995	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+H+NH4"	19.041099
"1478296"	233.6799995	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H+NH4"	19.041099
"396128"	919.627018	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+Na"	22.989218
"755298"	1367.945918	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+Na"	22.989218
"1609602"	471.308118	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Na"	22.989218
"322922"	460.317147	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+H+Na"	23.996494
"714250"	684.476597	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+H+Na"	23.996494
"1465883"	236.157697	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H+Na"	23.996494
"1066430"	157.774223333333	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2H+Na"	25.00377
"1271386"	481.352386	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+CH3OH+H"	33.033486
"391669"	935.600958	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+K"	38.963158
"752788"	1383.919858	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+K"	38.963158
"1554470"	487.282058	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+K"	38.963158
"312017"	468.304117	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+H+K"	39.970434
"706257"	692.463567	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+H+K"	39.970434
"1459953"	244.144667	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H+K"	39.970434
"245395"	938.671626	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+ACN+H"	42.033826
"1220295"	490.352726	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+ACN+H"	42.033826
"1204179"	245.680001	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+ACN+2H"	43.041102
"200329"	941.60896	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+2Na-H"	44.97116
"639888"	1389.92786	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+2Na-H"	44.97116
"1137928"	493.29006	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2Na-H"	44.97116
"177937"	471.308118	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+2Na"	45.978436
"619684"	695.467568	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+2Na"	45.978436
"1123193"	247.148668	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2Na"	45.978436
"1402341"	165.101537333333	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H+2Na"	46.985712
"1433365"	495.331646	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H+HCOOH"	47.012746
"225246"	476.34114	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+3H2O+2H"	56.04448
"1516587"	509.38369	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+IsoProp+H"	61.06479
"412992"	479.295088	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+Na+K"	61.952376
"771800"	703.454538	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+Na+K"	61.952376
"1666311"	255.135638	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Na+K"	61.952376
"253559"	960.653568	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+ACN+Na"	64.015768
"1233935"	512.334668	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+ACN+Na"	64.015768
"1720633"	512.358193	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+NH4+HCOOH"	64.039293
"1190364"	172.428851333333	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+3Na"	68.967654
"1661350"	517.313588	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Na+HCOOH"	68.994688
"170397"	973.55684	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+2K-H"	76.91904
"609958"	1421.87574	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+2K-H"	76.91904
"1099456"	525.23794	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2K-H"	76.91904
"154571"	487.282058	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"2M+2K"	77.926316
"595103"	711.441508	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"3M+2K"	77.926316
"1081926"	263.122608	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2K"	77.926316
"1108575"	527.252492	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2K+H"	78.933592
"1346053"	527.340107	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+DMSO+H"	79.021207
"1020049"	531.379276	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2ACN+H"	83.060376
"1539147"	532.372908	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+IsoProp+Na+H"	84.054008
"1003529"	266.193276	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+2ACN+2H"	84.067652
"1600218"	533.287528	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+K+HCOOH"	84.968628
"1422600"	563.319038	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+H+CF3COOH"	115.000138
"1158355"	286.706551	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+3ACN+2H"	125.094202
"1710093"	580.345585	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+NH4+CF3COOH"	132.026685
"1648905"	585.30098	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+Na+CF3COOH"	136.98208
"1582489"	601.27492	"C08890"	"Convallagenin A"	"C27H44O5"	"448.3189"	"M+K+CF3COOH"	152.95602
"812855"	430.3083	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M"	0
"979829"	411.28991	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-H2O-H"	-19.01839
"66976"	285.864924	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M-3H"	-3.021828
"507628"	429.301024	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M-3H"	-3.021828
"883241"	142.428824	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-3H"	-3.021828
"2909"	429.301024	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M-2H"	-2.014552
"442471"	644.455174	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M-2H"	-2.014552
"818450"	214.146874	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-2H"	-2.014552
"83547"	859.609324	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M-H"	-1.007276
"522372"	1289.917624	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M-H"	-1.007276
"897990"	429.301024	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-H"	-1.007276
"54192"	876.635871	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M-2H+NH4"	16.019271
"497036"	1306.944171	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M-2H+NH4"	16.019271
"872651"	446.327571	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-2H+NH4"	16.019271
"32900"	881.591266	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M-2H+Na"	20.974666
"473554"	1311.899566	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M-2H+Na"	20.974666
"857917"	451.282966	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-2H+Na"	20.974666
"1628548"	451.282966	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Na-2H"	20.974666
"102891"	447.289363	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M-H+Cl"	33.962126
"538078"	662.443513	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M-H+Cl"	33.962126
"931593"	232.135213	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-H+Cl"	33.962126
"272336"	895.586002	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+Cl"	34.969402
"662568"	1325.894302	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+Cl"	34.969402
"1274970"	465.277702	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Cl"	34.969402
"16182"	897.565206	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M-2H+K"	36.948606
"459281"	1327.873506	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M-2H+K"	36.948606
"837813"	467.256906	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-2H+K"	36.948606
"1560578"	467.256906	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+K-2H"	36.948606
"949557"	475.306494	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-H+HCOOH"	44.998194
"375429"	905.614801	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+HCOOH-H"	44.998201
"353844"	919.630451	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+Hac-H"	59.013851
"1500487"	489.322151	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Hac-H"	59.013851
"971315"	497.288451	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-H+NaCOOH"	66.980151
"116939"	465.277702	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+2Cl"	69.938804
"555402"	680.431852	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+2Cl"	69.938804
"1027482"	250.123552	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2Cl"	69.938804
"1248154"	509.227185	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Br"	78.918885
"1311695"	511.283172	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Cl+HCOOH"	80.974872
"1325181"	533.265129	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Cl+NaCOOH"	102.956829
"919158"	543.293886	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M-H+CF3COOH"	112.985586
"1296960"	579.270564	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Cl+CF3COOH"	148.962264
"1371112"	395.295624	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H-2H2O"	-35.012676
"1383500"	413.3056	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H-H2O"	-17.0027
"284280"	861.623876	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+H"	1.007276
"680718"	1291.932176	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+H"	1.007276
"1352930"	431.315576	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H"	1.007276
"125792"	431.315576	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+2H"	2.014552
"568427"	646.469726	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+2H"	2.014552
"1044516"	216.161426	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2H"	2.014552
"212418"	287.879476	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+3H"	3.021828
"649792"	431.315576	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+3H"	3.021828
"1171195"	144.443376	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+3H"	3.021828
"430093"	878.650423	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+NH4"	18.033823
"791088"	1308.958723	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+NH4"	18.033823
"1683770"	448.342123	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+NH4"	18.033823
"333506"	439.8288495	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+H+NH4"	19.041099
"725563"	654.9829995	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+H+NH4"	19.041099
"1479013"	224.6746995	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H+NH4"	19.041099
"393560"	883.605818	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+Na"	22.989218
"755044"	1313.914118	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+Na"	22.989218
"1603992"	453.297518	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Na"	22.989218
"321939"	442.306547	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+H+Na"	23.996494
"714361"	657.460697	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+H+Na"	23.996494
"1467086"	227.152397	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H+Na"	23.996494
"1064717"	151.77069	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2H+Na"	25.00377
"1271132"	463.341786	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+CH3OH+H"	33.033486
"390074"	899.579758	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+K"	38.963158
"753142"	1329.888058	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+K"	38.963158
"1552393"	469.271458	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+K"	38.963158
"308474"	450.293517	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+H+K"	39.970434
"700892"	665.447667	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+H+K"	39.970434
"1453623"	235.139367	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H+K"	39.970434
"244411"	902.650426	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+ACN+H"	42.033826
"1220404"	472.342126	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+ACN+H"	42.033826
"1204288"	236.674701	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+ACN+2H"	43.041102
"199345"	905.58776	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+2Na-H"	44.97116
"639998"	1335.89606	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+2Na-H"	44.97116
"1140225"	475.27946	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2Na-H"	44.97116
"178047"	453.297518	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+2Na"	45.978436
"619794"	668.451668	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+2Na"	45.978436
"1125490"	238.143368	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2Na"	45.978436
"1403544"	159.098004	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H+2Na"	46.985712
"1432016"	477.321046	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H+HCOOH"	47.012746
"226449"	458.33054	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+3H2O+2H"	56.04448
"1516697"	491.37309	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+H"	61.06479
"411277"	461.284488	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+Na+K"	61.952376
"773000"	676.438638	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+Na+K"	61.952376
"1667147"	246.130338	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Na+K"	61.952376
"254031"	924.632368	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+ACN+Na"	64.015768
"1231858"	494.324068	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+ACN+Na"	64.015768
"1719650"	494.347593	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+NH4+HCOOH"	64.039293
"1188287"	166.425318	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+3Na"	68.967654
"1661459"	499.302988	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Na+HCOOH"	68.994688
"171358"	937.53564	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+2K-H"	76.91904
"611161"	1367.84394	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+2K-H"	76.91904
"1099081"	507.22734	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2K-H"	76.91904
"153586"	469.271458	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"2M+2K"	77.926316
"596185"	684.425608	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"3M+2K"	77.926316
"1083495"	254.117308	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2K"	77.926316
"1109779"	509.241892	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2K+H"	78.933592
"1347256"	509.329507	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+DMSO+H"	79.021207
"1020163"	513.368676	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2ACN+H"	83.060376
"1537925"	514.362308	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+Na+H"	84.054008
"1004731"	257.187976	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+2ACN+2H"	84.067652
"1600328"	515.276928	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+K+HCOOH"	84.968628
"1419431"	545.308438	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+H+CF3COOH"	115.000138
"1158467"	277.701251	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+3ACN+2H"	125.094202
"1710203"	562.334985	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+NH4+CF3COOH"	132.026685
"1649137"	567.29038	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+Na+CF3COOH"	136.98208
"1582599"	583.26432	"C08891"	"Convallamarogenin"	"C27H42O4"	"430.3083"	"M+K+CF3COOH"	152.95602
"815881"	1210.5982	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M"	0
"987959"	1191.57981	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-H2O-H"	-19.01839
"69274"	806.058190666667	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M-3H"	-3.021828
"505552"	1209.590924	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M-3H"	-3.021828
"882259"	402.525457333333	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-3H"	-3.021828
"2290"	1209.590924	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M-2H"	-2.014552
"443674"	1814.890024	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M-2H"	-2.014552
"818560"	604.291824	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-2H"	-2.014552
"83657"	2420.189124	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M-H"	-1.007276
"520296"	3630.787324	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M-H"	-1.007276
"897372"	1209.590924	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-H"	-1.007276
"54302"	2437.215671	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M-2H+NH4"	16.019271
"500426"	3647.813871	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M-2H+NH4"	16.019271
"874947"	1226.617471	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-2H+NH4"	16.019271
"34103"	2442.171066	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M-2H+Na"	20.974666
"480224"	3652.769266	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M-2H+Na"	20.974666
"860214"	1231.572866	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-2H+Na"	20.974666
"1631938"	1231.572866	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Na-2H"	20.974666
"107013"	1227.579263	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M-H+Cl"	33.962126
"540375"	1832.878363	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M-H+Cl"	33.962126
"939357"	622.280163	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-H+Cl"	33.962126
"276820"	2456.165802	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+Cl"	34.969402
"668146"	3666.764002	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+Cl"	34.969402
"1278361"	1245.567602	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Cl"	34.969402
"16538"	2458.145006	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M-2H+K"	36.948606
"460484"	3668.743206	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M-2H+K"	36.948606
"839746"	1247.546806	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-2H+K"	36.948606
"1562873"	1247.546806	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+K-2H"	36.948606
"949666"	1255.596394	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-H+HCOOH"	44.998194
"368977"	2466.194601	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+HCOOH-H"	44.998201
"352861"	2480.210251	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+Hac-H"	59.013851
"1498411"	1269.612051	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Hac-H"	59.013851
"965956"	1277.578351	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-H+NaCOOH"	66.980151
"118142"	1245.567602	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+2Cl"	69.938804
"560618"	1850.866702	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+2Cl"	69.938804
"1028322"	640.268502	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2Cl"	69.938804
"1247171"	1289.517085	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Br"	78.918885
"1312899"	1291.573072	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Cl+HCOOH"	80.974872
"1324198"	1313.555029	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Cl+NaCOOH"	102.956829
"925588"	1323.583786	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M-H+CF3COOH"	112.985586
"1300352"	1359.560464	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Cl+CF3COOH"	148.962264
"1371587"	1175.585524	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H-2H2O"	-35.012676
"1386165"	1193.5955	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H-H2O"	-17.0027
"285123"	2422.203676	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+H"	1.007276
"681922"	3632.801876	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+H"	1.007276
"1352555"	1211.605476	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H"	1.007276
"126174"	1211.605476	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+2H"	2.014552
"572546"	1816.904576	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+2H"	2.014552
"1046813"	606.306376	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2H"	2.014552
"211435"	808.072742666667	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+3H"	3.021828
"653182"	1211.605476	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+3H"	3.021828
"1173127"	404.540009333333	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+3H"	3.021828
"431295"	2439.230223	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+NH4"	18.033823
"786334"	3649.828423	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+NH4"	18.033823
"1681812"	1228.632023	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+NH4"	18.033823
"330700"	1220.1187495	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+H+NH4"	19.041099
"723849"	1825.4178495	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+H+NH4"	19.041099
"1478028"	614.8196495	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H+NH4"	19.041099
"392863"	2444.185618	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+Na"	22.989218
"756978"	3654.783818	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+Na"	22.989218
"1602758"	1233.587418	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Na"	22.989218
"323141"	1222.596447	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+H+Na"	23.996494
"716656"	1827.895547	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+H+Na"	23.996494
"1468289"	617.297347	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H+Na"	23.996494
"1067705"	411.867323333333	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2H+Na"	25.00377
"1272179"	1243.631686	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+CH3OH+H"	33.033486
"392292"	2460.159558	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+K"	38.963158
"752646"	3670.757758	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+K"	38.963158
"1555264"	1249.561358	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+K"	38.963158
"310769"	1230.583417	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+H+K"	39.970434
"702097"	1835.882517	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+H+K"	39.970434
"1459201"	625.284317	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H+K"	39.970434
"247802"	2463.230226	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+ACN+H"	42.033826
"1222701"	1252.632026	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+ACN+H"	42.033826
"1207678"	626.819651	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+ACN+2H"	43.041102
"201279"	2466.16756	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+2Na-H"	44.97116
"641201"	3676.76576	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+2Na-H"	44.97116
"1143615"	1255.56936	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2Na-H"	44.97116
"181437"	1233.587418	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+2Na"	45.978436
"625007"	1838.886518	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+2Na"	45.978436
"1126693"	628.288318	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2Na"	45.978436
"1410582"	419.194637333333	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H+2Na"	46.985712
"1431397"	1257.610946	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H+HCOOH"	47.012746
"230933"	1238.62044	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+3H2O+2H"	56.04448
"1516808"	1271.66299	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+IsoProp+H"	61.06479
"410053"	1241.574388	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+Na+K"	61.952376
"771046"	1846.873488	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+Na+K"	61.952376
"1666405"	636.275288	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Na+K"	61.952376
"252439"	2485.212168	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+ACN+Na"	64.015768
"1235248"	1274.613968	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+ACN+Na"	64.015768
"1719760"	1274.637493	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+NH4+HCOOH"	64.039293
"1189489"	426.521951333333	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+3Na"	68.967654
"1664486"	1279.592888	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Na+HCOOH"	68.994688
"170617"	2498.11544	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+2K-H"	76.91904
"611759"	3708.71364	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+2K-H"	76.91904
"1098218"	1287.51724	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2K-H"	76.91904
"156007"	1249.561358	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"2M+2K"	77.926316
"595206"	1854.860458	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"3M+2K"	77.926316
"1080326"	644.262258	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2K"	77.926316
"1112076"	1289.531792	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2K+H"	78.933592
"1345179"	1289.619407	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+DMSO+H"	79.021207
"1019543"	1293.658576	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2ACN+H"	83.060376
"1536944"	1294.652208	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+IsoProp+Na+H"	84.054008
"1004478"	647.332926	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+2ACN+2H"	84.067652
"1601287"	1295.566828	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+K+HCOOH"	84.968628
"1419542"	1325.598338	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+H+CF3COOH"	115.000138
"1157483"	667.846201	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+3ACN+2H"	125.094202
"1707033"	1342.624885	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+NH4+CF3COOH"	132.026685
"1647790"	1347.58028	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+Na+CF3COOH"	136.98208
"1582709"	1363.55422	"C08892"	"Convallamaroside"	"C57H94O27"	"1210.5982"	"M+K+CF3COOH"	152.95602
"813074"	580.3611	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M"	0
"986610"	561.34271	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-H2O-H"	-19.01839
"69384"	385.900124	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M-3H"	-3.021828
"505662"	579.353824	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M-3H"	-3.021828
"880111"	192.446424	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-3H"	-3.021828
"2036"	579.353824	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M-2H"	-2.014552
"443784"	869.534374	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M-2H"	-2.014552
"819398"	289.173274	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-2H"	-2.014552
"83767"	1159.714924	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M-H"	-1.007276
"519430"	1740.076024	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M-H"	-1.007276
"895901"	579.353824	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-H"	-1.007276
"54412"	1176.741471	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M-2H+NH4"	16.019271
"500536"	1757.102571	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M-2H+NH4"	16.019271
"875057"	596.380371	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-2H+NH4"	16.019271
"33120"	1181.696866	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M-2H+Na"	20.974666
"480334"	1762.057966	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M-2H+Na"	20.974666
"860324"	601.335766	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-2H+Na"	20.974666
"1632048"	601.335766	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Na-2H"	20.974666
"107121"	597.342163	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M-H+Cl"	33.962126
"543764"	887.522713	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M-H+Cl"	33.962126
"932905"	307.161613	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-H+Cl"	33.962126
"274743"	1195.691602	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+Cl"	34.969402
"661693"	1776.052702	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+Cl"	34.969402
"1274217"	615.330502	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Cl"	34.969402
"16649"	1197.670806	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M-2H+K"	36.948606
"460594"	1778.031906	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M-2H+K"	36.948606
"842042"	617.309706	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-2H+K"	36.948606
"1561521"	617.309706	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+K-2H"	36.948606
"949403"	625.359294	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-H+HCOOH"	44.998194
"371273"	1205.720401	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+HCOOH-H"	44.998201
"354064"	1219.736051	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+Hac-H"	59.013851
"1499614"	639.374951	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Hac-H"	59.013851
"964973"	647.341251	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-H+NaCOOH"	66.980151
"118252"	615.330502	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+2Cl"	69.938804
"559999"	905.511052	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+2Cl"	69.938804
"1030619"	325.149952	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2Cl"	69.938804
"1248374"	659.279985	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Br"	78.918885
"1311916"	661.335972	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Cl+HCOOH"	80.974872
"1324308"	683.317929	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Cl+NaCOOH"	102.956829
"919378"	693.346686	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M-H+CF3COOH"	112.985586
"1300097"	729.323364	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Cl+CF3COOH"	148.962264
"1374248"	545.348424	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H-2H2O"	-35.012676
"1385910"	563.3584	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H-H2O"	-17.0027
"283894"	1161.729476	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+H"	1.007276
"681667"	1742.090576	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+H"	1.007276
"1352178"	581.368376	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H"	1.007276
"126527"	581.368376	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+2H"	2.014552
"574842"	871.548926	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+2H"	2.014552
"1042547"	291.187826	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2H"	2.014552
"215915"	387.914676	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+3H"	3.021828
"647821"	581.368376	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+3H"	3.021828
"1167039"	194.460976	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+3H"	3.021828
"431405"	1178.756023	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+NH4"	18.033823
"786202"	1759.117123	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+NH4"	18.033823
"1681559"	598.394923	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+NH4"	18.033823
"330486"	589.8816495	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+H+NH4"	19.041099
"724688"	880.0621995	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+H+NH4"	19.041099
"1477122"	299.7010995	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H+NH4"	19.041099
"392829"	1183.711418	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+Na"	22.989218
"755996"	1764.072518	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+Na"	22.989218
"1602782"	603.350318	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Na"	22.989218
"326532"	592.359347	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+H+Na"	23.996494
"716766"	882.539897	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+H+Na"	23.996494
"1470585"	302.178797	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H+Na"	23.996494
"1067126"	201.78829	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2H+Na"	25.00377
"1272610"	613.394586	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+CH3OH+H"	33.033486
"390657"	1199.685358	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+K"	38.963158
"753806"	1780.046458	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+K"	38.963158
"1555507"	619.324258	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+K"	38.963158
"311973"	600.346317	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+H+K"	39.970434
"703301"	890.526867	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+H+K"	39.970434
"1459310"	310.165767	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H+K"	39.970434
"249005"	1202.756026	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+ACN+H"	42.033826
"1219528"	622.394926	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+ACN+H"	42.033826
"1207790"	311.701101	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+ACN+2H"	43.041102
"200657"	1205.69336	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+2Na-H"	44.97116
"642406"	1786.05446	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+2Na-H"	44.97116
"1142632"	625.33226	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2Na-H"	44.97116
"181547"	603.350318	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+2Na"	45.978436
"625846"	893.530868	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+2Na"	45.978436
"1125343"	313.169768	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2Na"	45.978436
"1409231"	209.115604	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H+2Na"	46.985712
"1443171"	627.373846	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H+HCOOH"	47.012746
"231043"	608.38334	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+3H2O+2H"	56.04448
"1514731"	641.42589	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+IsoProp+H"	61.06479
"410772"	611.337288	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+Na+K"	61.952376
"771767"	901.517838	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+Na+K"	61.952376
"1665630"	321.156738	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Na+K"	61.952376
"251819"	1224.737968	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+ACN+Na"	64.015768
"1236451"	644.376868	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+ACN+Na"	64.015768
"1722056"	644.400393	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+NH4+HCOOH"	64.039293
"1191785"	216.442918	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+3Na"	68.967654
"1665407"	649.355788	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Na+HCOOH"	68.994688
"171820"	1237.64124	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+2K-H"	76.91904
"611991"	1818.00234	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+2K-H"	76.91904
"1098934"	657.28014	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2K-H"	76.91904
"156603"	619.324258	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"2M+2K"	77.926316
"596282"	909.504808	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"3M+2K"	77.926316
"1083593"	329.143708	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2K"	77.926316
"1112184"	659.294692	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2K+H"	78.933592
"1350637"	659.382307	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+DMSO+H"	79.021207
"1020378"	663.421476	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2ACN+H"	83.060376
"1537412"	664.415108	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+IsoProp+Na+H"	84.054008
"1002763"	332.214376	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+2ACN+2H"	84.067652
"1598359"	665.329728	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+K+HCOOH"	84.968628
"1421839"	695.361238	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+H+CF3COOH"	115.000138
"1158686"	352.727651	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+3ACN+2H"	125.094202
"1707143"	712.387785	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+NH4+CF3COOH"	132.026685
"1649357"	717.34318	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+Na+CF3COOH"	136.98208
"1582819"	733.31712	"C08893"	"Convallasaponin A"	"C32H52O9"	"580.3611"	"M+K+CF3COOH"	152.95602
"813184"	884.477	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M"	0
"985627"	865.45861	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-H2O-H"	-19.01839
"69494"	588.644057333333	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M-3H"	-3.021828
"504679"	883.469724	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M-3H"	-3.021828
"880656"	293.818390666667	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-3H"	-3.021828
"2146"	883.469724	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M-2H"	-2.014552
"443894"	1325.708224	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M-2H"	-2.014552
"819508"	441.231224	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-2H"	-2.014552
"83877"	1767.946724	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M-H"	-1.007276
"519422"	2652.423724	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M-H"	-1.007276
"896133"	883.469724	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-H"	-1.007276
"53429"	1784.973271	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M-2H+NH4"	16.019271
"490802"	2669.450271	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M-2H+NH4"	16.019271
"875167"	900.496271	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-2H+NH4"	16.019271
"33230"	1789.928666	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M-2H+Na"	20.974666
"477164"	2674.405666	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M-2H+Na"	20.974666
"857154"	905.451666	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-2H+Na"	20.974666
"1631065"	905.451666	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Na-2H"	20.974666
"107595"	901.458063	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M-H+Cl"	33.962126
"543874"	1343.696563	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M-H+Cl"	33.962126
"930829"	459.219563	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-H+Cl"	33.962126
"273760"	1803.923402	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+Cl"	34.969402
"660422"	2688.400402	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+Cl"	34.969402
"1273597"	919.446402	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Cl"	34.969402
"16761"	1805.902606	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M-2H+K"	36.948606
"460704"	2690.379606	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M-2H+K"	36.948606
"841788"	921.425606	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-2H+K"	36.948606
"1563090"	921.425606	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+K-2H"	36.948606
"948785"	929.475194	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-H+HCOOH"	44.998194
"372112"	1813.952201	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+HCOOH-H"	44.998201
"354903"	1827.967851	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+Hac-H"	59.013851
"1499724"	943.490851	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Hac-H"	59.013851
"962890"	951.457151	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-H+NaCOOH"	66.980151
"116176"	919.446402	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+2Cl"	69.938804
"559016"	1361.684902	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+2Cl"	69.938804
"1030000"	477.207902	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2Cl"	69.938804
"1248484"	963.395885	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Br"	78.918885
"1312026"	965.451872	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Cl+HCOOH"	80.974872
"1324054"	987.433829	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Cl+NaCOOH"	102.956829
"920581"	997.462586	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M-H+CF3COOH"	112.985586
"1300207"	1033.439264	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Cl+CF3COOH"	148.962264
"1374358"	849.464324	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H-2H2O"	-35.012676
"1384928"	867.4743	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H-H2O"	-17.0027
"283113"	1769.961276	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+H"	1.007276
"677766"	2654.438276	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+H"	1.007276
"1353384"	885.484276	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H"	1.007276
"125918"	885.484276	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+2H"	2.014552
"571672"	1327.722776	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+2H"	2.014552
"1041564"	443.245776	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2H"	2.014552
"211652"	590.658609333333	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+3H"	3.021828
"644434"	885.484276	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+3H"	3.021828
"1164963"	295.832942666667	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+3H"	3.021828
"424541"	1786.987823	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+NH4"	18.033823
"786026"	2671.464823	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+NH4"	18.033823
"1681665"	902.510823	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+NH4"	18.033823
"330104"	893.9975495	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+H+NH4"	19.041099
"723298"	1336.2360495	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+H+NH4"	19.041099
"1477312"	451.7590495	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H+NH4"	19.041099
"393034"	1791.943218	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+Na"	22.989218
"755375"	2676.420218	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+Na"	22.989218
"1602977"	907.466218	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Na"	22.989218
"324455"	896.475247	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+H+Na"	23.996494
"715782"	1338.713747	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+H+Na"	23.996494
"1469602"	454.236747	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H+Na"	23.996494
"1066871"	303.160256666667	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2H+Na"	25.00377
"1271099"	917.510486	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+CH3OH+H"	33.033486
"392349"	1807.917158	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+K"	38.963158
"753592"	2692.394158	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+K"	38.963158
"1555466"	923.440158	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+K"	38.963158
"312083"	904.462217	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+H+K"	39.970434
"704504"	1346.700717	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+H+K"	39.970434
"1458327"	462.223717	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H+K"	39.970434
"248022"	1810.987826	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+ACN+H"	42.033826
"1219635"	926.510826	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+ACN+H"	42.033826
"1207172"	463.759051	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+ACN+2H"	43.041102
"200767"	1813.92516	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+2Na-H"	44.97116
"641423"	2698.40216	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+2Na-H"	44.97116
"1140558"	929.44816	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2Na-H"	44.97116
"184573"	907.466218	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+2Na"	45.978436
"625228"	1349.704718	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+2Na"	45.978436
"1126911"	465.227718	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2Na"	45.978436
"1410435"	310.487570666667	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H+2Na"	46.985712
"1442188"	931.489746	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H+HCOOH"	47.012746
"231153"	912.49924	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+3H2O+2H"	56.04448
"1514841"	945.54179	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+IsoProp+H"	61.06479
"411246"	915.453188	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+Na+K"	61.952376
"773333"	1357.691688	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+Na+K"	61.952376
"1665763"	473.214688	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Na+K"	61.952376
"251503"	1832.969768	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+ACN+Na"	64.015768
"1232186"	948.492768	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+ACN+Na"	64.015768
"1721073"	948.516293	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+NH4+HCOOH"	64.039293
"1191895"	317.814884666667	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+3Na"	68.967654
"1664948"	953.471688	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Na+HCOOH"	68.994688
"172538"	1845.87304	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+2K-H"	76.91904
"612549"	2730.35004	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+2K-H"	76.91904
"1098559"	961.39604	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2K-H"	76.91904
"155010"	923.440158	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"2M+2K"	77.926316
"593475"	1365.678658	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"3M+2K"	77.926316
"1082363"	481.201658	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2K"	77.926316
"1113387"	963.410592	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2K+H"	78.933592
"1349771"	963.498207	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+DMSO+H"	79.021207
"1020815"	967.537376	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2ACN+H"	83.060376
"1536429"	968.531008	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+IsoProp+Na+H"	84.054008
"1002873"	484.272326	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+2ACN+2H"	84.067652
"1598469"	969.445628	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+K+HCOOH"	84.968628
"1421949"	999.477138	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+H+CF3COOH"	115.000138
"1158796"	504.785601	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+3ACN+2H"	125.094202
"1707253"	1016.503685	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+NH4+CF3COOH"	132.026685
"1649103"	1021.45908	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+Na+CF3COOH"	136.98208
"1582929"	1037.43302	"C08894"	"Deltonin"	"C45H72O17"	"884.477"	"M+K+CF3COOH"	152.95602
"813294"	1064.5403	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M"	0
"986467"	1045.52191	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-H2O-H"	-19.01839
"72884"	708.686257333333	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M-3H"	-3.021828
"506976"	1063.533024	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M-3H"	-3.021828
"880558"	353.839490666667	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-3H"	-3.021828
"2256"	1063.533024	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M-2H"	-2.014552
"446191"	1595.803174	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M-2H"	-2.014552
"819618"	531.262874	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-2H"	-2.014552
"83987"	2128.073324	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M-H"	-1.007276
"519894"	3192.613624	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M-H"	-1.007276
"896484"	1063.533024	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-H"	-1.007276
"54632"	2145.099871	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M-2H+NH4"	16.019271
"490912"	3209.640171	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M-2H+NH4"	16.019271
"877100"	1080.559571	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-2H+NH4"	16.019271
"35526"	2150.055266	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M-2H+Na"	20.974666
"480554"	3214.595566	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M-2H+Na"	20.974666
"858357"	1085.514966	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-2H+Na"	20.974666
"1630811"	1085.514966	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Na-2H"	20.974666
"102238"	1081.521363	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M-H+Cl"	33.962126
"543984"	1613.791513	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M-H+Cl"	33.962126
"932033"	549.251213	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-H+Cl"	33.962126
"273870"	2164.050002	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+Cl"	34.969402
"660452"	3228.590302	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+Cl"	34.969402
"1274316"	1099.509702	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Cl"	34.969402
"16992"	2166.029206	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M-2H+K"	36.948606
"455949"	3230.569506	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M-2H+K"	36.948606
"842994"	1101.488906	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-2H+K"	36.948606
"1563201"	1101.488906	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+K-2H"	36.948606
"951083"	1109.538494	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-H+HCOOH"	44.998194
"370398"	2174.078801	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+HCOOH-H"	44.998201
"357562"	2188.094451	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+Hac-H"	59.013851
"1502020"	1123.554151	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Hac-H"	59.013851
"969562"	1131.520451	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-H+NaCOOH"	66.980151
"120291"	1099.509702	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+2Cl"	69.938804
"561312"	1631.779852	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+2Cl"	69.938804
"1026832"	567.239552	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2Cl"	69.938804
"1252968"	1143.459185	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Br"	78.918885
"1313229"	1145.515172	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Cl+HCOOH"	80.974872
"1323067"	1167.497129	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Cl+NaCOOH"	102.956829
"922878"	1177.525886	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M-H+CF3COOH"	112.985586
"1294119"	1213.502564	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Cl+CF3COOH"	148.962264
"1374468"	1029.527624	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H-2H2O"	-35.012676
"1385402"	1047.5376	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H-H2O"	-17.0027
"283265"	2130.087876	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+H"	1.007276
"676417"	3194.628176	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+H"	1.007276
"1357141"	1065.547576	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H"	1.007276
"126744"	1065.547576	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+2H"	2.014552
"572876"	1597.817726	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+2H"	2.014552
"1043862"	533.277426	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2H"	2.014552
"206294"	710.700809333333	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+3H"	3.021828
"644306"	1065.547576	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+3H"	3.021828
"1163491"	355.854042666667	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+3H"	3.021828
"425420"	2147.114423	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+NH4"	18.033823
"786539"	3211.654723	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+NH4"	18.033823
"1682503"	1082.574123	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+NH4"	18.033823
"330665"	1074.0608495	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+H+NH4"	19.041099
"724056"	1606.3309995	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+H+NH4"	19.041099
"1478117"	541.7906995	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H+NH4"	19.041099
"394125"	2152.069818	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+Na"	22.989218
"755480"	3216.610118	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+Na"	22.989218
"1603050"	1087.529518	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Na"	22.989218
"325658"	1076.538547	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+H+Na"	23.996494
"716986"	1608.808697	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+H+Na"	23.996494
"1468619"	544.268397	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H+Na"	23.996494
"1066131"	363.181356666667	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2H+Na"	25.00377
"1272307"	1097.573786	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+CH3OH+H"	33.033486
"389784"	2168.043758	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+K"	38.963158
"752970"	3232.584058	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+K"	38.963158
"1554657"	1103.503458	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+K"	38.963158
"310373"	1084.525517	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+H+K"	39.970434
"703157"	1616.795667	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+H+K"	39.970434
"1456615"	552.255367	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H+K"	39.970434
"248861"	2171.114426	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+ACN+H"	42.033826
"1221932"	1106.574126	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+ACN+H"	42.033826
"1206555"	553.790701	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+ACN+2H"	43.041102
"200516"	2174.05176	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+2Na-H"	44.97116
"640076"	3238.59206	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+2Na-H"	44.97116
"1141760"	1109.51146	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2Na-H"	44.97116
"183590"	1087.529518	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+2Na"	45.978436
"623881"	1619.799668	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+2Na"	45.978436
"1127751"	555.259368	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2Na"	45.978436
"1411273"	370.508670666667	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H+2Na"	46.985712
"1440109"	1111.553046	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H+HCOOH"	47.012746
"226889"	1092.56254	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+3H2O+2H"	56.04448
"1512765"	1125.60509	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+IsoProp+H"	61.06479
"409412"	1095.516488	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+Na+K"	61.952376
"773443"	1627.786638	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+Na+K"	61.952376
"1665677"	563.246338	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Na+K"	61.952376
"251468"	2193.096368	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+ACN+Na"	64.015768
"1225645"	1128.556068	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+ACN+Na"	64.015768
"1724463"	1128.579593	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+NH4+HCOOH"	64.039293
"1192371"	377.835984666667	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+3Na"	68.967654
"1664698"	1133.534988	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Na+HCOOH"	68.994688
"172610"	2205.99964	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+2K-H"	76.91904
"612211"	3270.53994	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+2K-H"	76.91904
"1096114"	1141.45934	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2K-H"	76.91904
"152930"	1103.503458	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"2M+2K"	77.926316
"592490"	1635.773608	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"3M+2K"	77.926316
"1078097"	571.233308	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2K"	77.926316
"1111310"	1143.473892	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2K+H"	78.933592
"1348788"	1143.561507	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+DMSO+H"	79.021207
"1020234"	1147.600676	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2ACN+H"	83.060376
"1538362"	1148.594308	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+IsoProp+Na+H"	84.054008
"1002982"	574.303976	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+2ACN+2H"	84.067652
"1598579"	1149.508928	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+K+HCOOH"	84.968628
"1425339"	1179.540438	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+H+CF3COOH"	115.000138
"1159999"	594.817251	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+3ACN+2H"	125.094202
"1707363"	1196.566985	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+NH4+CF3COOH"	132.026685
"1649457"	1201.52238	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+Na+CF3COOH"	136.98208
"1583039"	1217.49632	"C08895"	"Deltoside"	"C51H84O23"	"1064.5403"	"M+K+CF3COOH"	152.95602
"813404"	448.3189	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M"	0
"986940"	429.30051	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-H2O-H"	-19.01839
"71901"	297.871990666667	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M-3H"	-3.021828
"504900"	447.311624	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M-3H"	-3.021828
"885980"	148.432357333333	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-3H"	-3.021828
"8928"	447.311624	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M-2H"	-2.014552
"448489"	671.471074	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M-2H"	-2.014552
"824102"	223.152174	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-2H"	-2.014552
"80811"	895.630524	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M-H"	-1.007276
"521826"	1343.949424	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M-H"	-1.007276
"900366"	447.311624	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-H"	-1.007276
"53649"	912.657071	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M-2H+NH4"	16.019271
"489563"	1360.975971	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M-2H+NH4"	16.019271
"877574"	464.338171	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-2H+NH4"	16.019271
"35636"	917.612466	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M-2H+Na"	20.974666
"477384"	1365.931366	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M-2H+Na"	20.974666
"860654"	469.293566	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-2H+Na"	20.974666
"1629101"	469.293566	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Na-2H"	20.974666
"106358"	465.299963	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M-H+Cl"	33.962126
"543000"	689.459413	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M-H+Cl"	33.962126
"937247"	241.140513	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-H+Cl"	33.962126
"273980"	931.607202	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+Cl"	34.969402
"663117"	1379.926102	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+Cl"	34.969402
"1278801"	483.288302	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Cl"	34.969402
"18074"	933.586406	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M-2H+K"	36.948606
"455814"	1381.905306	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M-2H+K"	36.948606
"843104"	485.267506	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-2H+K"	36.948606
"1560032"	485.267506	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+K-2H"	36.948606
"951194"	493.317094	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-H+HCOOH"	44.998194
"370508"	941.636001	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+HCOOH-H"	44.998201
"352204"	955.651651	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+Hac-H"	59.013851
"1496662"	507.332751	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Hac-H"	59.013851
"968580"	515.299051	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-H+NaCOOH"	66.980151
"119676"	483.288302	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+2Cl"	69.938804
"559236"	707.447752	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+2Cl"	69.938804
"1030223"	259.128852	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2Cl"	69.938804
"1251986"	527.237785	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Br"	78.918885
"1312245"	529.293772	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Cl+HCOOH"	80.974872
"1323178"	551.275729	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Cl+NaCOOH"	102.956829
"922990"	561.304486	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M-H+CF3COOH"	112.985586
"1297509"	597.281164	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Cl+CF3COOH"	148.962264
"1377858"	413.306224	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H-2H2O"	-35.012676
"1386240"	431.3162	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H-H2O"	-17.0027
"285199"	897.645076	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+H"	1.007276
"678715"	1345.963976	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+H"	1.007276
"1357251"	449.326176	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H"	1.007276
"126490"	449.326176	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+2H"	2.014552
"566666"	673.485626	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+2H"	2.014552
"1038624"	225.166726	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2H"	2.014552
"205183"	299.886542666667	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+3H"	3.021828
"644744"	449.326176	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+3H"	3.021828
"1164329"	150.446909333333	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+3H"	3.021828
"425290"	914.671623	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+NH4"	18.033823
"786892"	1362.990523	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+NH4"	18.033823
"1682493"	466.352723	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+NH4"	18.033823
"332231"	457.8394495	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+H+NH4"	19.041099
"723188"	681.9988995	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+H+NH4"	19.041099
"1478103"	233.6799995	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H+NH4"	19.041099
"393131"	919.627018	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+Na"	22.989218
"754275"	1367.945918	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+Na"	22.989218
"1602728"	471.308118	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Na"	22.989218
"319207"	460.317147	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+H+Na"	23.996494
"717096"	684.476597	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+H+Na"	23.996494
"1468729"	236.157697	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H+Na"	23.996494
"1066851"	157.774223333333	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2H+Na"	25.00377
"1272015"	481.352386	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+CH3OH+H"	33.033486
"390869"	935.600958	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+K"	38.963158
"753084"	1383.919858	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+K"	38.963158
"1554769"	487.282058	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+K"	38.963158
"312307"	468.304117	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+H+K"	39.970434
"703632"	692.463567	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+H+K"	39.970434
"1456725"	244.144667	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H+K"	39.970434
"247514"	938.671626	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+ACN+H"	42.033826
"1223137"	490.352726	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+ACN+H"	42.033826
"1206662"	245.680001	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+ACN+2H"	43.041102
"202084"	941.60896	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+2Na-H"	44.97116
"640915"	1389.92786	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+2Na-H"	44.97116
"1145156"	493.29006	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2Na-H"	44.97116
"186619"	471.308118	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+2Na"	45.978436
"626791"	695.467568	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+2Na"	45.978436
"1127863"	247.148668	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2Na"	45.978436
"1410655"	165.101537333333	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H+2Na"	46.985712
"1438396"	495.331646	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H+HCOOH"	47.012746
"229186"	476.34114	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+3H2O+2H"	56.04448
"1515061"	509.38369	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+IsoProp+H"	61.06479
"413654"	479.295088	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+Na+K"	61.952376
"774648"	703.454538	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+Na+K"	61.952376
"1668794"	255.135638	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Na+K"	61.952376
"252396"	960.653568	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+ACN+Na"	64.015768
"1225737"	512.334668	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+ACN+Na"	64.015768
"1723480"	512.358193	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+NH4+HCOOH"	64.039293
"1192603"	172.428851333333	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+3Na"	68.967654
"1663106"	517.313588	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Na+HCOOH"	68.994688
"165588"	973.55684	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+2K-H"	76.91904
"612075"	1421.87574	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+2K-H"	76.91904
"1096224"	525.23794	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2K-H"	76.91904
"150853"	487.282058	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"2M+2K"	77.926316
"592600"	711.441508	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"3M+2K"	77.926316
"1082219"	263.122608	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2K"	77.926316
"1111420"	527.252492	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2K+H"	78.933592
"1346711"	527.340107	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+DMSO+H"	79.021207
"1018524"	531.379276	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2ACN+H"	83.060376
"1535556"	532.372908	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+IsoProp+Na+H"	84.054008
"1002004"	266.193276	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+2ACN+2H"	84.067652
"1601610"	533.287528	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+K+HCOOH"	84.968628
"1423262"	563.319038	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+H+CF3COOH"	115.000138
"1160111"	286.706551	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+3ACN+2H"	125.094202
"1707473"	580.345585	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+NH4+CF3COOH"	132.026685
"1649323"	585.30098	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+Na+CF3COOH"	136.98208
"1583149"	601.27492	"C08896"	"Digitogenin"	"C27H44O5"	"448.3189"	"M+K+CF3COOH"	152.95602
"814609"	868.482	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M"	0
"987050"	849.46361	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-H2O-H"	-19.01839
"69825"	577.980724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M-3H"	-3.021828
"508291"	867.474724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M-3H"	-3.021828
"890465"	288.486724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-3H"	-3.021828
"11227"	867.474724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M-2H"	-2.014552
"451879"	1301.715724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M-2H"	-2.014552
"824212"	433.233724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-2H"	-2.014552
"83113"	1735.956724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M-H"	-1.007276
"520481"	2604.438724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M-H"	-1.007276
"897920"	867.474724	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-H"	-1.007276
"53759"	1752.983271	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M-2H+NH4"	16.019271
"489673"	2621.465271	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M-2H+NH4"	16.019271
"878535"	884.501271	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-2H+NH4"	16.019271
"35746"	1757.938666	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M-2H+Na"	20.974666
"477494"	2626.420666	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M-2H+Na"	20.974666
"855300"	889.456666	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-2H+Na"	20.974666
"1629211"	889.456666	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Na-2H"	20.974666
"106467"	885.463063	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M-H+Cl"	33.962126
"545297"	1319.704063	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M-H+Cl"	33.962126
"937723"	451.222063	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-H+Cl"	33.962126
"277737"	1771.933402	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+Cl"	34.969402
"669430"	2640.415402	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+Cl"	34.969402
"1282195"	903.451402	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Cl"	34.969402
"19280"	1773.912606	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M-2H+K"	36.948606
"456293"	2642.394606	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M-2H+K"	36.948606
"846859"	905.430606	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-2H+K"	36.948606
"1569254"	905.430606	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+K-2H"	36.948606
"954220"	913.480194	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-H+HCOOH"	44.998194
"369527"	1781.962201	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+HCOOH-H"	44.998201
"355596"	1795.977851	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+Hac-H"	59.013851
"1502239"	927.495851	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Hac-H"	59.013851
"968691"	935.462151	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-H+NaCOOH"	66.980151
"119421"	903.451402	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+2Cl"	69.938804
"558252"	1337.692402	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+2Cl"	69.938804
"1032519"	469.210402	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2Cl"	69.938804
"1254282"	947.400885	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Br"	78.918885
"1312355"	949.456872	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Cl+HCOOH"	80.974872
"1322924"	971.438829	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Cl+NaCOOH"	102.956829
"924923"	981.467586	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M-H+CF3COOH"	112.985586
"1297619"	1017.444264	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Cl+CF3COOH"	148.962264
"1377968"	833.469324	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H-2H2O"	-35.012676
"1385985"	851.4793	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H-H2O"	-17.0027
"286037"	1737.971276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+H"	1.007276
"679918"	2606.453276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+H"	1.007276
"1358454"	869.489276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H"	1.007276
"125812"	869.489276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+2H"	2.014552
"567627"	1303.730276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+2H"	2.014552
"1037270"	435.248276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2H"	2.014552
"205293"	579.995276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+3H"	3.021828
"644418"	869.489276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+3H"	3.021828
"1162976"	290.501276	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+3H"	3.021828
"424669"	1754.997823	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+NH4"	18.033823
"786638"	2623.479823	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+NH4"	18.033823
"1682602"	886.515823	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+NH4"	18.033823
"331248"	878.0025495	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+H+NH4"	19.041099
"724513"	1312.2435495	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+H+NH4"	19.041099
"1477362"	443.7615495	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H+NH4"	19.041099
"393204"	1759.953218	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+Na"	22.989218
"756800"	2628.435218	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+Na"	22.989218
"1603924"	891.471218	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Na"	22.989218
"320410"	880.480247	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+H+Na"	23.996494
"720488"	1314.721247	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+H+Na"	23.996494
"1465559"	446.239247	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H+Na"	23.996494
"1066352"	297.82859	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2H+Na"	25.00377
"1270337"	901.515486	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+CH3OH+H"	33.033486
"391100"	1775.927158	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+K"	38.963158
"752833"	2644.409158	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+K"	38.963158
"1554401"	907.445158	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+K"	38.963158
"313521"	888.467217	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+H+K"	39.970434
"705932"	1322.708217	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+H+K"	39.970434
"1459388"	454.226217	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H+K"	39.970434
"247988"	1778.997826	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+ACN+H"	42.033826
"1222523"	910.515826	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+ACN+H"	42.033826
"1207135"	455.761551	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+ACN+2H"	43.041102
"202439"	1781.93516	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+2Na-H"	44.97116
"641025"	2650.41716	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+2Na-H"	44.97116
"1141983"	913.45316	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2Na-H"	44.97116
"185271"	891.471218	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+2Na"	45.978436
"626290"	1325.712218	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+2Na"	45.978436
"1126151"	457.230218	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2Na"	45.978436
"1410404"	305.155904	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H+2Na"	46.985712
"1440694"	915.494746	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H+HCOOH"	47.012746
"226017"	896.50424	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+3H2O+2H"	56.04448
"1514078"	929.54679	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+IsoProp+H"	61.06479
"413764"	899.458188	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+Na+K"	61.952376
"774758"	1333.699188	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+Na+K"	61.952376
"1666714"	465.217188	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Na+K"	61.952376
"253354"	1800.979768	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+ACN+Na"	64.015768
"1225940"	932.497768	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+ACN+Na"	64.015768
"1721403"	932.521293	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+NH4+HCOOH"	64.039293
"1190040"	312.483218	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+3Na"	68.967654
"1662119"	937.476688	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Na+HCOOH"	68.994688
"162418"	1813.88304	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+2K-H"	76.91904
"611336"	2682.36504	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+2K-H"	76.91904
"1096334"	945.40104	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2K-H"	76.91904
"153150"	907.445158	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"2M+2K"	77.926316
"589429"	1341.686158	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"3M+2K"	77.926316
"1080507"	473.204158	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2K"	77.926316
"1112625"	947.415592	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2K+H"	78.933592
"1348280"	947.503207	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+DMSO+H"	79.021207
"1018634"	951.542376	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2ACN+H"	83.060376
"1534574"	952.536008	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+IsoProp+Na+H"	84.054008
"1003207"	476.274826	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+2ACN+2H"	84.067652
"1602085"	953.450628	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+K+HCOOH"	84.968628
"1420092"	983.482138	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+H+CF3COOH"	115.000138
"1161315"	496.788101	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+3ACN+2H"	125.094202
"1708678"	1000.508685	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+NH4+CF3COOH"	132.026685
"1645422"	1005.46408	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+Na+CF3COOH"	136.98208
"1583259"	1021.43802	"C08897"	"Dioscin;3-O-alpha-L-Rha-(1-4)-alpha-L-Rha-(1-2)-beta-D-Glcdiosgenin"	"C45H72O16"	"868.482"	"M+K+CF3COOH"	152.95602
"813624"	414.3134	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M"	0
"983880"	395.29501	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-H2O-H"	-19.01839
"69935"	275.201657333333	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M-3H"	-3.021828
"509495"	413.306124	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M-3H"	-3.021828
"886201"	137.097190666667	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-3H"	-3.021828
"11336"	413.306124	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M-2H"	-2.014552
"451989"	620.462824	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M-2H"	-2.014552
"822135"	206.149424	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-2H"	-2.014552
"83223"	827.619524	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M-H"	-1.007276
"519620"	1241.932924	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M-H"	-1.007276
"896937"	413.306124	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-H"	-1.007276
"49126"	844.646071	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M-2H+NH4"	16.019271
"490147"	1258.959471	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M-2H+NH4"	16.019271
"865514"	430.332671	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-2H+NH4"	16.019271
"36946"	849.601466	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M-2H+Na"	20.974666
"480882"	1263.914866	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M-2H+Na"	20.974666
"858682"	435.288066	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-2H+Na"	20.974666
"1631502"	435.288066	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Na-2H"	20.974666
"105844"	431.294463	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M-H+Cl"	33.962126
"543218"	638.451163	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M-H+Cl"	33.962126
"934550"	224.137763	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-H+Cl"	33.962126
"270918"	863.596202	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+Cl"	34.969402
"669903"	1277.909602	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+Cl"	34.969402
"1281212"	449.282802	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Cl"	34.969402
"20484"	865.575406	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M-2H+K"	36.948606
"456766"	1279.888806	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M-2H+K"	36.948606
"846240"	451.262006	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-2H+K"	36.948606
"1567541"	451.262006	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+K-2H"	36.948606
"953236"	459.311594	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-H+HCOOH"	44.998194
"370730"	873.625001	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+HCOOH-H"	44.998201
"356799"	887.640651	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+Hac-H"	59.013851
"1504537"	473.327251	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Hac-H"	59.013851
"965520"	481.293551	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-H+NaCOOH"	66.980151
"117710"	449.282802	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+2Cl"	69.938804
"556175"	656.439502	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+2Cl"	69.938804
"1031536"	242.126102	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2Cl"	69.938804
"1252206"	493.232285	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Br"	78.918885
"1312465"	495.288272	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Cl+HCOOH"	80.974872
"1323398"	517.270229	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Cl+NaCOOH"	102.956829
"919928"	527.298986	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M-H+CF3COOH"	112.985586
"1293717"	563.275664	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Cl+CF3COOH"	148.962264
"1378078"	379.300724	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H-2H2O"	-35.012676
"1386095"	397.3107	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H-H2O"	-17.0027
"283954"	829.634076	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+H"	1.007276
"677836"	1243.947476	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+H"	1.007276
"1353459"	415.320676	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H"	1.007276
"128536"	415.320676	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+2H"	2.014552
"567737"	622.477376	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+2H"	2.014552
"1037990"	208.163976	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2H"	2.014552
"205034"	277.216209333333	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+3H"	3.021828
"645079"	415.320676	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+3H"	3.021828
"1163447"	139.111742666667	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+3H"	3.021828
"426117"	846.660623	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+NH4"	18.033823
"786503"	1260.974023	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+NH4"	18.033823
"1684173"	432.347223	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+NH4"	18.033823
"331722"	423.8339495	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+H+NH4"	19.041099
"723165"	630.9906495	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+H+NH4"	19.041099
"1477513"	216.6772495	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H+NH4"	19.041099
"392877"	851.616018	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+Na"	22.989218
"756910"	1265.929418	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+Na"	22.989218
"1603912"	437.302618	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Na"	22.989218
"315773"	426.311647	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+H+Na"	23.996494
"717318"	633.468347	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+H+Na"	23.996494
"1464575"	219.154947	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H+Na"	23.996494
"1065490"	146.439056666667	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2H+Na"	25.00377
"1269354"	447.346886	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+CH3OH+H"	33.033486
"390116"	867.589958	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+K"	38.963158
"753626"	1281.903358	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+K"	38.963158
"1555528"	453.276558	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+K"	38.963158
"312161"	434.298617	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+H+K"	39.970434
"703850"	641.455317	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+H+K"	39.970434
"1459862"	227.141917	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H+K"	39.970434
"249555"	870.660626	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+ACN+H"	42.033826
"1224940"	456.347226	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+ACN+H"	42.033826
"1206878"	228.677251	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+ACN+2H"	43.041102
"202304"	873.59796	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+2Na-H"	44.97116
"642591"	1287.91136	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+2Na-H"	44.97116
"1143186"	459.28456	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2Na-H"	44.97116
"184288"	437.302618	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+2Na"	45.978436
"626764"	644.459318	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+2Na"	45.978436
"1126261"	230.145918	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2Na"	45.978436
"1410878"	153.766370666667	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H+2Na"	46.985712
"1437524"	461.326146	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H+HCOOH"	47.012746
"227221"	442.33564	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+3H2O+2H"	56.04448
"1514188"	475.37819	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+IsoProp+H"	61.06479
"410957"	445.289588	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+Na+K"	61.952376
"774869"	652.446288	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+Na+K"	61.952376
"1668283"	238.132888	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Na+K"	61.952376
"254071"	892.642568	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+ACN+Na"	64.015768
"1226172"	478.329168	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+ACN+Na"	64.015768
"1721513"	478.352693	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+NH4+HCOOH"	64.039293
"1191244"	161.093684666667	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+3Na"	68.967654
"1664902"	483.308088	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Na+HCOOH"	68.994688
"172006"	905.54584	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+2K-H"	76.91904
"611812"	1319.85924	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+2K-H"	76.91904
"1097176"	491.23244	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2K-H"	76.91904
"153260"	453.276558	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"2M+2K"	77.926316
"591728"	660.433258	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"3M+2K"	77.926316
"1081707"	246.119858	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2K"	77.926316
"1112736"	493.246992	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2K+H"	78.933592
"1347661"	493.334607	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+DMSO+H"	79.021207
"1018744"	497.373776	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2ACN+H"	83.060376
"1536870"	498.367408	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+IsoProp+Na+H"	84.054008
"1003317"	249.190526	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+2ACN+2H"	84.067652
"1600737"	499.282028	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+K+HCOOH"	84.968628
"1423481"	529.313538	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+H+CF3COOH"	115.000138
"1157047"	269.703801	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+3ACN+2H"	125.094202
"1707692"	546.340085	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+NH4+CF3COOH"	132.026685
"1645532"	551.29548	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+Na+CF3COOH"	136.98208
"1583369"	567.26942	"C08898"	"Diosgenin;(3beta25R)-Spirost-5-en-3-ol"	"C27H42O3"	"414.3134"	"M+K+CF3COOH"	152.95602
"813734"	432.324	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M"	0
"987268"	413.30561	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-H2O-H"	-19.01839
"74419"	287.208724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M-3H"	-3.021828
"515072"	431.316724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M-3H"	-3.021828
"889592"	143.100724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-3H"	-3.021828
"11447"	431.316724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M-2H"	-2.014552
"447727"	647.478724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M-2H"	-2.014552
"820059"	215.154724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-2H"	-2.014552
"83333"	863.640724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M-H"	-1.007276
"519975"	1295.964724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M-H"	-1.007276
"895994"	431.316724	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-H"	-1.007276
"49604"	880.667271	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M-2H+NH4"	16.019271
"488800"	1312.991271	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M-2H+NH4"	16.019271
"865500"	448.343271	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-2H+NH4"	16.019271
"37056"	885.622666	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M-2H+Na"	20.974666
"486547"	1317.946666	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M-2H+Na"	20.974666
"862072"	453.298666	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-2H+Na"	20.974666
"1630519"	453.298666	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Na-2H"	20.974666
"104861"	449.305063	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M-H+Cl"	33.962126
"543328"	665.467063	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M-H+Cl"	33.962126
"936843"	233.143063	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-H+Cl"	33.962126
"274306"	899.617402	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+Cl"	34.969402
"661380"	1331.941402	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+Cl"	34.969402
"1280228"	467.293402	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Cl"	34.969402
"17677"	901.596606	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M-2H+K"	36.948606
"456147"	1333.920606	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M-2H+K"	36.948606
"844526"	469.272606	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-2H+K"	36.948606
"1568744"	469.272606	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+K-2H"	36.948606
"951523"	477.322194	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-H+HCOOH"	44.998194
"373026"	909.646201	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+HCOOH-H"	44.998201
"359095"	923.661851	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+Hac-H"	59.013851
"1503553"	491.337851	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Hac-H"	59.013851
"966722"	499.304151	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-H+NaCOOH"	66.980151
"120006"	467.293402	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+2Cl"	69.938804
"556284"	683.455402	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+2Cl"	69.938804
"1029458"	251.131402	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2Cl"	69.938804
"1254504"	511.242885	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Br"	78.918885
"1310387"	513.298872	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Cl+HCOOH"	80.974872
"1322049"	535.280829	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Cl+NaCOOH"	102.956829
"921131"	545.309586	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M-H+CF3COOH"	112.985586
"1293463"	581.286264	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Cl+CF3COOH"	148.962264
"1370167"	397.311324	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H-2H2O"	-35.012676
"1384382"	415.3213	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H-H2O"	-17.0027
"283698"	865.655276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+H"	1.007276
"678311"	1297.979276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+H"	1.007276
"1353934"	433.331276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H"	1.007276
"127673"	433.331276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+2H"	2.014552
"568211"	649.493276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+2H"	2.014552
"1038099"	217.169276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2H"	2.014552
"204904"	289.223276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+3H"	3.021828
"644382"	433.331276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+3H"	3.021828
"1162913"	145.115276	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+3H"	3.021828
"425135"	882.681823	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+NH4"	18.033823
"787953"	1315.005823	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+NH4"	18.033823
"1683554"	450.357823	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+NH4"	18.033823
"335480"	441.8445495	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+H+NH4"	19.041099
"728993"	658.0065495	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+H+NH4"	19.041099
"1478803"	225.6825495	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H+NH4"	19.041099
"393837"	887.637218	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+Na"	22.989218
"756412"	1319.961218	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+Na"	22.989218
"1603415"	455.313218	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Na"	22.989218
"316248"	444.322247	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+H+Na"	23.996494
"719614"	660.484247	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+H+Na"	23.996494
"1463592"	228.160247	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H+Na"	23.996494
"1066696"	152.44259	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2H+Na"	25.00377
"1268371"	465.357486	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+CH3OH+H"	33.033486
"388040"	903.611158	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+K"	38.963158
"753047"	1335.935158	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+K"	38.963158
"1554007"	471.287158	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+K"	38.963158
"310449"	452.309217	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+H+K"	39.970434
"705054"	668.471217	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+H+K"	39.970434
"1459243"	236.147217	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H+K"	39.970434
"248572"	906.681826	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+ACN+H"	42.033826
"1221280"	474.357826	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+ACN+H"	42.033826
"1206625"	237.682551	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+ACN+2H"	43.041102
"203916"	909.61916	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+2Na-H"	44.97116
"644112"	1341.94316	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+2Na-H"	44.97116
"1146210"	477.29516	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2Na-H"	44.97116
"185127"	455.313218	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+2Na"	45.978436
"627967"	671.475218	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+2Na"	45.978436
"1130744"	239.151218	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2Na"	45.978436
"1412081"	159.769904	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H+2Na"	46.985712
"1444195"	479.336746	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H+HCOOH"	47.012746
"230612"	460.34624	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+3H2O+2H"	56.04448
"1517578"	493.38879	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+IsoProp+H"	61.06479
"417265"	463.300188	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+Na+K"	61.952376
"779353"	679.462188	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+Na+K"	61.952376
"1669125"	247.138188	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Na+K"	61.952376
"254911"	928.663768	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+ACN+Na"	64.015768
"1227257"	496.339768	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+ACN+Na"	64.015768
"1713955"	496.363293	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+NH4+HCOOH"	64.039293
"1185883"	167.097218	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+3Na"	68.967654
"1655775"	501.318688	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Na+HCOOH"	68.994688
"160448"	941.56704	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+2K-H"	76.91904
"606572"	1373.89104	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+2K-H"	76.91904
"1096554"	509.24304	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2K-H"	76.91904
"154464"	471.287158	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"2M+2K"	77.926316
"590745"	687.449158	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"3M+2K"	77.926316
"1082789"	255.125158	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2K"	77.926316
"1111025"	511.257592	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2K+H"	78.933592
"1347773"	511.345207	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+DMSO+H"	79.021207
"1017759"	515.384376	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2ACN+H"	83.060376
"1534793"	516.378008	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+IsoProp+Na+H"	84.054008
"1002333"	258.195826	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+2ACN+2H"	84.067652
"1601211"	517.292628	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+K+HCOOH"	84.968628
"1422497"	547.324138	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+H+CF3COOH"	115.000138
"1157157"	278.709101	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+3ACN+2H"	125.094202
"1707802"	564.350685	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+NH4+CF3COOH"	132.026685
"1648924"	569.30608	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+Na+CF3COOH"	136.98208
"1583479"	585.28002	"C08899"	"Gitogenin"	"C27H44O4"	"432.324"	"M+K+CF3COOH"	152.95602
"813844"	1050.5247	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M"	0
"988717"	1031.50631	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-H2O-H"	-19.01839
"73433"	699.342524	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M-3H"	-3.021828
"514089"	1049.517424	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M-3H"	-3.021828
"890796"	349.167624	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-3H"	-3.021828
"10464"	1049.517424	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M-2H"	-2.014552
"447836"	1574.779774	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M-2H"	-2.014552
"821264"	524.255074	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-2H"	-2.014552
"86724"	2100.042124	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M-H"	-1.007276
"519842"	3150.566824	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M-H"	-1.007276
"898004"	1049.517424	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-H"	-1.007276
"48621"	2117.068671	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M-2H+NH4"	16.019271
"488546"	3167.593371	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M-2H+NH4"	16.019271
"865246"	1066.543971	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-2H+NH4"	16.019271
"37166"	2122.024066	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M-2H+Na"	20.974666
"484021"	3172.548766	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M-2H+Na"	20.974666
"858902"	1071.499366	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-2H+Na"	20.974666
"1627349"	1071.499366	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Na-2H"	20.974666
"103878"	1067.505763	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M-H+Cl"	33.962126
"543438"	1592.768113	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M-H+Cl"	33.962126
"936953"	542.243413	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-H+Cl"	33.962126
"274416"	2136.018802	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+Cl"	34.969402
"661734"	3186.543502	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+Cl"	34.969402
"1274867"	1085.494102	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Cl"	34.969402
"18155"	2137.998006	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M-2H+K"	36.948606
"455906"	3188.522706	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M-2H+K"	36.948606
"840263"	1087.473306	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-2H+K"	36.948606
"1567032"	1087.473306	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+K-2H"	36.948606
"947260"	1095.522894	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-H+HCOOH"	44.998194
"373136"	2146.047601	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+HCOOH-H"	44.998201
"359205"	2160.063251	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+Hac-H"	59.013851
"1503663"	1109.538551	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Hac-H"	59.013851
"966832"	1117.504851	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-H+NaCOOH"	66.980151
"119023"	1085.494102	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+2Cl"	69.938804
"556394"	1610.756452	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+2Cl"	69.938804
"1031754"	560.231752	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2Cl"	69.938804
"1253884"	1129.443585	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Br"	78.918885
"1310497"	1131.499572	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Cl+HCOOH"	80.974872
"1321066"	1153.481529	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Cl+NaCOOH"	102.956829
"921241"	1163.510286	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M-H+CF3COOH"	112.985586
"1292481"	1199.486964	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Cl+CF3COOH"	148.962264
"1370642"	1015.512024	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H-2H2O"	-35.012676
"1383884"	1033.522	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H-H2O"	-17.0027
"283442"	2102.056676	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+H"	1.007276
"678057"	3152.581376	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+H"	1.007276
"1352951"	1051.531976	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H"	1.007276
"126448"	1051.531976	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+2H"	2.014552
"568321"	1576.794326	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+2H"	2.014552
"1037724"	526.269626	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2H"	2.014552
"205380"	701.357076	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+3H"	3.021828
"644938"	1051.531976	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+3H"	3.021828
"1162943"	351.182176	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+3H"	3.021828
"424759"	2119.083223	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+NH4"	18.033823
"788792"	3169.607923	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+NH4"	18.033823
"1686216"	1068.558523	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+NH4"	18.033823
"336682"	1060.0452495	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+H+NH4"	19.041099
"731289"	1585.3075995	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+H+NH4"	19.041099
"1478913"	534.7828995	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H+NH4"	19.041099
"393096"	2124.038618	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+Na"	22.989218
"755308"	3174.563318	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+Na"	22.989218
"1603160"	1073.513918	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Na"	22.989218
"315386"	1062.522947	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+H+Na"	23.996494
"707138"	1587.785297	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+H+Na"	23.996494
"1463702"	537.260597	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H+Na"	23.996494
"1067169"	358.50949	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2H+Na"	25.00377
"1269574"	1083.558186	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+CH3OH+H"	33.033486
"390337"	2140.012558	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+K"	38.963158
"752792"	3190.537258	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+K"	38.963158
"1552657"	1089.487858	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+K"	38.963158
"311289"	1070.509917	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+H+K"	39.970434
"704071"	1595.772267	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+H+K"	39.970434
"1458624"	545.247567	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H+K"	39.970434
"248682"	2143.083226	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+ACN+H"	42.033826
"1224309"	1092.558526	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+ACN+H"	42.033826
"1205272"	546.782901	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+ACN+2H"	43.041102
"193769"	2146.02056	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+2Na-H"	44.97116
"638436"	3196.54526	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+2Na-H"	44.97116
"1145228"	1095.49586	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2Na-H"	44.97116
"187060"	1073.513918	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+2Na"	45.978436
"626254"	1598.776268	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+2Na"	45.978436
"1127575"	548.251568	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2Na"	45.978436
"1410004"	365.836804	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H+2Na"	46.985712
"1442119"	1097.537446	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H+HCOOH"	47.012746
"234000"	1078.54694	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+3H2O+2H"	56.04448
"1513315"	1111.58949	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+IsoProp+H"	61.06479
"413001"	1081.500888	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+Na+K"	61.952376
"778369"	1606.763238	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+Na+K"	61.952376
"1668870"	556.238538	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Na+K"	61.952376
"252833"	2165.065168	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+ACN+Na"	64.015768
"1226635"	1114.540468	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+ACN+Na"	64.015768
"1713700"	1114.563993	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+NH4+HCOOH"	64.039293
"1184900"	373.164118	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+3Na"	68.967654
"1653699"	1119.519388	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Na+HCOOH"	68.994688
"159950"	2177.96844	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+2K-H"	76.91904
"606682"	3228.49314	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+2K-H"	76.91904
"1096664"	1127.44374	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2K-H"	76.91904
"151294"	1089.487858	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"2M+2K"	77.926316
"590855"	1614.750208	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"3M+2K"	77.926316
"1079740"	564.225508	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2K"	77.926316
"1111862"	1129.458292	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2K+H"	78.933592
"1347883"	1129.545907	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+DMSO+H"	79.021207
"1017505"	1133.585076	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2ACN+H"	83.060376
"1534901"	1134.578708	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+IsoProp+Na+H"	84.054008
"1002807"	567.296176	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+2ACN+2H"	84.067652
"1600592"	1135.493328	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+K+HCOOH"	84.968628
"1424793"	1165.524838	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+H+CF3COOH"	115.000138
"1157267"	587.809451	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+3ACN+2H"	125.094202
"1704631"	1182.551385	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+NH4+CF3COOH"	132.026685
"1649034"	1187.50678	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+Na+CF3COOH"	136.98208
"1583589"	1203.48072	"C08900"	"Gitonin"	"C50H82O23"	"1050.5247"	"M+K+CF3COOH"	152.95602
"812861"	884.477	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M"	0
"988461"	865.45861	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-H2O-H"	-19.01839
"73543"	588.644057333333	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M-3H"	-3.021828
"514199"	883.469724	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M-3H"	-3.021828
"890906"	293.818390666667	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-3H"	-3.021828
"8388"	883.469724	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M-2H"	-2.014552
"447946"	1325.708224	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M-2H"	-2.014552
"824654"	441.231224	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-2H"	-2.014552
"86834"	1767.946724	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M-H"	-1.007276
"520195"	2652.423724	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M-H"	-1.007276
"896784"	883.469724	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-H"	-1.007276
"50918"	1784.973271	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M-2H+NH4"	16.019271
"488656"	2669.450271	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M-2H+NH4"	16.019271
"866448"	900.496271	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-2H+NH4"	16.019271
"37276"	1789.928666	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M-2H+Na"	20.974666
"484495"	2674.405666	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M-2H+Na"	20.974666
"859012"	905.451666	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-2H+Na"	20.974666
"1624179"	905.451666	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Na-2H"	20.974666
"102894"	901.458063	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M-H+Cl"	33.962126
"541362"	1343.696563	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M-H+Cl"	33.962126
"933783"	459.219563	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-H+Cl"	33.962126
"275619"	1803.923402	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+Cl"	34.969402
"661480"	2688.400402	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+Cl"	34.969402
"1274247"	919.446402	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Cl"	34.969402
"19358"	1805.902606	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M-2H+K"	36.948606
"455909"	2690.379606	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M-2H+K"	36.948606
"836725"	921.425606	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-2H+K"	36.948606
"1562768"	921.425606	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+K-2H"	36.948606
"947370"	929.475194	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-H+HCOOH"	44.998194
"367778"	1813.952201	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+HCOOH-H"	44.998201
"356034"	1827.967851	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+Hac-H"	59.013851
"1502680"	943.490851	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Hac-H"	59.013851
"966942"	951.457151	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-H+NaCOOH"	66.980151
"118039"	919.446402	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+2Cl"	69.938804
"553224"	1361.684902	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+2Cl"	69.938804
"1031136"	477.207902	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2Cl"	69.938804
"1252534"	963.395885	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Br"	78.918885
"1308783"	965.451872	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Cl+HCOOH"	80.974872
"1320685"	987.433829	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Cl+NaCOOH"	102.956829
"918071"	997.462586	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M-H+CF3COOH"	112.985586
"1291860"	1033.439264	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Cl+CF3COOH"	148.962264
"1370752"	849.464324	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H-2H2O"	-35.012676
"1384602"	867.4743	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H-H2O"	-17.0027
"284039"	1769.961276	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+H"	1.007276
"677075"	2654.438276	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+H"	1.007276
"1353789"	885.484276	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H"	1.007276
"128135"	885.484276	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+2H"	2.014552
"566974"	1327.722776	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+2H"	2.014552
"1039049"	443.245776	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2H"	2.014552
"205855"	590.658609333333	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+3H"	3.021828
"644682"	885.484276	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+3H"	3.021828
"1164635"	295.832942666667	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+3H"	3.021828
"425475"	1786.987823	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+NH4"	18.033823
"788902"	2671.464823	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+NH4"	18.033823
"1689606"	902.510823	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+NH4"	18.033823
"335699"	893.9975495	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+H+NH4"	19.041099
"728119"	1336.2360495	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+H+NH4"	19.041099
"1481939"	451.7590495	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H+NH4"	19.041099
"395151"	1791.943218	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+Na"	22.989218
"756268"	2676.420218	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+Na"	22.989218
"1604487"	907.466218	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Na"	22.989218
"316469"	896.475247	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+H+Na"	23.996494
"708891"	1338.713747	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+H+Na"	23.996494
"1463812"	454.236747	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H+Na"	23.996494
"1058165"	303.160256666667	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2H+Na"	25.00377
"1267497"	917.510486	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+CH3OH+H"	33.033486
"383885"	1807.917158	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+K"	38.963158
"748163"	2692.394158	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+K"	38.963158
"1550943"	923.440158	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+K"	38.963158
"308479"	904.462217	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+H+K"	39.970434
"699806"	1346.700717	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+H+K"	39.970434
"1458734"	462.223717	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H+K"	39.970434
"247699"	1810.987826	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+ACN+H"	42.033826
"1220406"	926.510826	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+ACN+H"	42.033826
"1203194"	463.759051	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+ACN+2H"	43.041102
"193879"	1813.92516	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+2Na-H"	44.97116
"638910"	2698.40216	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+2Na-H"	44.97116
"1141691"	929.44816	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2Na-H"	44.97116
"183525"	907.466218	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+2Na"	45.978436
"623085"	1349.704718	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+2Na"	45.978436
"1122216"	465.227718	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2Na"	45.978436
"1405739"	310.487570666667	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H+2Na"	46.985712
"1436761"	931.489746	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H+HCOOH"	47.012746
"224632"	912.49924	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+3H2O+2H"	56.04448
"1516704"	945.54179	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+IsoProp+H"	61.06479
"408853"	915.453188	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+Na+K"	61.952376
"770698"	1357.691688	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+Na+K"	61.952376
"1666664"	473.214688	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Na+K"	61.952376
"251722"	1832.969768	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+ACN+Na"	64.015768
"1226132"	948.492768	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+ACN+Na"	64.015768
"1712995"	948.516293	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+NH4+HCOOH"	64.039293
"1182823"	317.814884666667	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+3Na"	68.967654
"1654901"	953.471688	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Na+HCOOH"	68.994688
"158602"	1845.87304	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+2K-H"	76.91904
"605698"	2730.35004	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+2K-H"	76.91904
"1096774"	961.39604	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2K-H"	76.91904
"151404"	923.440158	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"2M+2K"	77.926316
"590965"	1365.678658	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"3M+2K"	77.926316
"1076569"	481.201658	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2K"	77.926316
"1110879"	963.410592	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2K+H"	78.933592
"1345807"	963.498207	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+DMSO+H"	79.021207
"1017977"	967.537376	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2ACN+H"	83.060376
"1533914"	968.531008	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+IsoProp+Na+H"	84.054008
"993801"	484.272326	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+2ACN+2H"	84.067652
"1595960"	969.445628	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+K+HCOOH"	84.968628
"1423810"	999.477138	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+H+CF3COOH"	115.000138
"1157377"	504.785601	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+3ACN+2H"	125.094202
"1704741"	1016.503685	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+NH4+CF3COOH"	132.026685
"1649144"	1021.45908	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+Na+CF3COOH"	136.98208
"1583699"	1037.43302	"C08901"	"Gracillin"	"C45H72O17"	"884.477"	"M+K+CF3COOH"	152.95602
"814064"	430.3083	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M"	0
"989664"	411.28991	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-H2O-H"	-19.01839
"73653"	285.864924	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M-3H"	-3.021828
"515402"	429.301024	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M-3H"	-3.021828
"893202"	142.428824	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-3H"	-3.021828
"10684"	429.301024	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M-2H"	-2.014552
"450243"	644.455174	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M-2H"	-2.014552
"828044"	214.146874	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-2H"	-2.014552
"86944"	859.609324	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M-H"	-1.007276
"523222"	1289.917624	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M-H"	-1.007276
"898109"	429.301024	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-H"	-1.007276
"52121"	876.635871	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M-2H+NH4"	16.019271
"489495"	1306.944171	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M-2H+NH4"	16.019271
"866563"	446.327571	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-2H+NH4"	16.019271
"37386"	881.591266	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M-2H+Na"	20.974666
"484241"	1311.899566	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M-2H+Na"	20.974666
"859122"	451.282966	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-2H+Na"	20.974666
"1625382"	451.282966	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Na-2H"	20.974666
"103004"	447.289363	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M-H+Cl"	33.962126
"541472"	662.443513	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M-H+Cl"	33.962126
"933893"	232.135213	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-H+Cl"	33.962126
"271355"	895.586002	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+Cl"	34.969402
"661224"	1325.894302	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+Cl"	34.969402
"1275087"	465.277702	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Cl"	34.969402
"16299"	897.565206	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M-2H+K"	36.948606
"455985"	1327.873506	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M-2H+K"	36.948606
"836105"	467.256906	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-2H+K"	36.948606
"1560324"	467.256906	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+K-2H"	36.948606
"947842"	475.306494	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-H+HCOOH"	44.998194
"364600"	905.614801	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+HCOOH-H"	44.998201
"349581"	919.630451	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+Hac-H"	59.013851
"1496229"	489.322151	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Hac-H"	59.013851
"963772"	497.288451	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-H+NaCOOH"	66.980151
"114866"	465.277702	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+2Cl"	69.938804
"554060"	680.431852	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+2Cl"	69.938804
"1025411"	250.123552	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2Cl"	69.938804
"1246081"	509.227185	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Br"	78.918885
"1308892"	511.283172	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Cl+HCOOH"	80.974872
"1321648"	533.265129	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Cl+NaCOOH"	102.956829
"918181"	543.293886	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M-H+CF3COOH"	112.985586
"1292334"	579.270564	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Cl+CF3COOH"	148.962264
"1370862"	395.295624	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H-2H2O"	-35.012676
"1385441"	413.3056	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H-H2O"	-17.0027
"283909"	861.623876	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+H"	1.007276
"677549"	1291.932176	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+H"	1.007276
"1355356"	431.315576	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H"	1.007276
"127516"	431.315576	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+2H"	2.014552
"571456"	646.469726	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+2H"	2.014552
"1040253"	216.161426	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2H"	2.014552
"205965"	287.879476	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+3H"	3.021828
"644546"	431.315576	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+3H"	3.021828
"1166932"	144.443376	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+3H"	3.021828
"424446"	878.650423	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+NH4"	18.033823
"786701"	1308.958723	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+NH4"	18.033823
"1682668"	448.342123	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+NH4"	18.033823
"337995"	439.8288495	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+H+NH4"	19.041099
"727135"	654.9829995	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+H+NH4"	19.041099
"1484237"	224.6746995	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H+NH4"	19.041099
"396355"	883.605818	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+Na"	22.989218
"757351"	1313.914118	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+Na"	22.989218
"1603257"	453.297518	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Na"	22.989218
"316579"	442.306547	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+H+Na"	23.996494
"709001"	657.460697	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+H+Na"	23.996494
"1465015"	227.152397	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H+Na"	23.996494
"1061556"	151.77069	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2H+Na"	25.00377
"1268699"	463.341786	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+CH3OH+H"	33.033486
"388367"	899.579758	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+K"	38.963158
"750459"	1329.888058	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+K"	38.963158
"1550323"	469.271458	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+K"	38.963158
"310775"	450.293517	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+H+K"	39.970434
"699916"	665.447667	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+H+K"	39.970434
"1457018"	235.139367	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H+K"	39.970434
"250362"	902.650426	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+ACN+H"	42.033826
"1223918"	472.342126	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+ACN+H"	42.033826
"1203304"	236.674701	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+ACN+2H"	43.041102
"193989"	905.58776	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+2Na-H"	44.97116
"635011"	1335.89606	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+2Na-H"	44.97116
"1141436"	475.27946	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2Na-H"	44.97116
"181446"	453.297518	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+2Na"	45.978436
"621007"	668.451668	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+2Na"	45.978436
"1121233"	238.143368	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2Na"	45.978436
"1403662"	159.098004	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H+2Na"	46.985712
"1437234"	477.321046	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H+HCOOH"	47.012746
"224742"	458.33054	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+3H2O+2H"	56.04448
"1517543"	491.37309	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+H"	61.06479
"409042"	461.284488	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+Na+K"	61.952376
"770810"	676.438638	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+Na+K"	61.952376
"1665579"	246.130338	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Na+K"	61.952376
"251568"	924.632368	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+ACN+Na"	64.015768
"1225872"	494.324068	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+ACN+Na"	64.015768
"1713300"	494.347593	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+NH4+HCOOH"	64.039293
"1184025"	166.425318	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+3Na"	68.967654
"1657199"	499.302988	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Na+HCOOH"	68.994688
"160776"	937.53564	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+2K-H"	76.91904
"605808"	1367.84394	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+2K-H"	76.91904
"1093601"	507.22734	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2K-H"	76.91904
"148230"	469.271458	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"2M+2K"	77.926316
"588888"	684.425608	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"3M+2K"	77.926316
"1073399"	254.117308	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2K"	77.926316
"1106614"	509.241892	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2K+H"	78.933592
"1342998"	509.329507	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+DMSO+H"	79.021207
"1014806"	513.368676	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2ACN+H"	83.060376
"1530744"	514.362308	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+Na+H"	84.054008
"995002"	257.187976	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+2ACN+2H"	84.067652
"1594976"	515.276928	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+K+HCOOH"	84.968628
"1421734"	545.308438	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+H+CF3COOH"	115.000138
"1152020"	277.701251	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+3ACN+2H"	125.094202
"1704851"	562.334985	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+NH4+CF3COOH"	132.026685
"1642691"	567.29038	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+Na+CF3COOH"	136.98208
"1583809"	583.26432	"C08902"	"Hecogenin"	"C27H42O4"	"430.3083"	"M+K+CF3COOH"	152.95602
"817056"	920.4981	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M"	0
"989531"	901.47971	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-H2O-H"	-19.01839
"72670"	612.658124	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M-3H"	-3.021828
"517581"	919.490824	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M-3H"	-3.021828
"895633"	305.825424	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-3H"	-3.021828
"15680"	919.490824	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M-2H"	-2.014552
"452177"	1379.739874	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M-2H"	-2.014552
"824873"	459.241774	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-2H"	-2.014552
"87054"	1839.988924	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M-H"	-1.007276
"522239"	2760.487024	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M-H"	-1.007276
"897855"	919.490824	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-H"	-1.007276
"51138"	1857.015471	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M-2H+NH4"	16.019271
"488633"	2777.513571	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M-2H+NH4"	16.019271
"867035"	936.517371	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-2H+NH4"	16.019271
"37496"	1861.970866	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M-2H+Na"	20.974666
"484714"	2782.468966	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M-2H+Na"	20.974666
"861055"	941.472766	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-2H+Na"	20.974666
"1622212"	941.472766	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Na-2H"	20.974666
"102021"	937.479163	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M-H+Cl"	33.962126
"540488"	1397.728213	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M-H+Cl"	33.962126
"934003"	477.230113	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-H+Cl"	33.962126
"270372"	1875.965602	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+Cl"	34.969402
"662427"	2796.463702	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+Cl"	34.969402
"1278477"	955.467502	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Cl"	34.969402
"16779"	1877.944806	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M-2H+K"	36.948606
"463514"	2798.442906	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M-2H+K"	36.948606
"838404"	957.446706	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-2H+K"	36.948606
"1564082"	957.446706	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+K-2H"	36.948606
"948683"	965.496294	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-H+HCOOH"	44.998194
"367996"	1885.994401	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+HCOOH-H"	44.998201
"352974"	1900.010051	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+Hac-H"	59.013851
"1497433"	979.511951	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Hac-H"	59.013851
"964974"	987.478251	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-H+NaCOOH"	66.980151
"117161"	955.467502	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+2Cl"	69.938804
"555628"	1415.716552	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+2Cl"	69.938804
"1028801"	495.218452	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2Cl"	69.938804
"1249473"	999.416985	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Br"	78.918885
"1315201"	1001.472972	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Cl+HCOOH"	80.974872
"1323220"	1023.454929	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Cl+NaCOOH"	102.956829
"918291"	1033.483686	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M-H+CF3COOH"	112.985586
"1290988"	1069.460364	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Cl+CF3COOH"	148.962264
"1369880"	885.485424	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H-2H2O"	-35.012676
"1383730"	903.4954	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H-H2O"	-17.0027
"283289"	1842.003476	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+H"	1.007276
"676930"	2762.501576	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+H"	1.007276
"1354738"	921.505376	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H"	1.007276
"128722"	921.505376	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+2H"	2.014552
"570474"	1381.754426	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+2H"	2.014552
"1041457"	461.256326	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2H"	2.014552
"211544"	614.672676	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+3H"	3.021828
"650011"	921.505376	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+3H"	3.021828
"1164855"	307.839976	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+3H"	3.021828
"431409"	1859.030023	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+NH4"	18.033823
"790216"	2779.528123	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+NH4"	18.033823
"1685453"	938.531923	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+NH4"	18.033823
"338105"	930.0186495	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+H+NH4"	19.041099
"728339"	1390.2676995	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+H+NH4"	19.041099
"1482160"	469.7695995	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H+NH4"	19.041099
"395372"	1863.985418	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+Na"	22.989218
"757461"	2784.483518	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+Na"	22.989218
"1604466"	943.487318	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Na"	22.989218
"316689"	932.496347	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+H+Na"	23.996494
"711298"	1392.745397	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+H+Na"	23.996494
"1470593"	472.247297	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H+Na"	23.996494
"1067139"	315.16729	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2H+Na"	25.00377
"1270998"	953.531586	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+CH3OH+H"	33.033486
"388480"	1879.959358	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+K"	38.963158
"751663"	2800.457458	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+K"	38.963158
"1551527"	959.461258	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+K"	38.963158
"310888"	940.483317	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+H+K"	39.970434
"701119"	1400.732367	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+H+K"	39.970434
"1460046"	480.234267	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H+K"	39.970434
"249742"	1883.030026	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+ACN+H"	42.033826
"1222449"	962.531926	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+ACN+H"	42.033826
"1203416"	481.769601	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+ACN+2H"	43.041102
"195195"	1885.96736	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+2Na-H"	44.97116
"640225"	2806.46546	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+2Na-H"	44.97116
"1144827"	965.46926	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2Na-H"	44.97116
"184835"	943.487318	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+2Na"	45.978436
"621118"	1403.736368	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+2Na"	45.978436
"1126812"	483.238268	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2Na"	45.978436
"1405962"	322.494604	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H+2Na"	46.985712
"1441358"	967.510846	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H+HCOOH"	47.012746
"226679"	948.52034	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+3H2O+2H"	56.04448
"1518020"	981.56289	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+IsoProp+H"	61.06479
"413333"	951.474288	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+Na+K"	61.952376
"774326"	1411.723338	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+Na+K"	61.952376
"1667375"	491.225238	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Na+K"	61.952376
"251826"	1905.011968	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+ACN+Na"	64.015768
"1225868"	984.513868	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+ACN+Na"	64.015768
"1712962"	984.537393	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+NH4+HCOOH"	64.039293
"1190697"	329.821918	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+3Na"	68.967654
"1657309"	989.492788	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Na+HCOOH"	68.994688
"159794"	1917.91524	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+2K-H"	76.91904
"609198"	2838.41334	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+2K-H"	76.91904
"1092618"	997.41714	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2K-H"	76.91904
"148340"	959.461258	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"2M+2K"	77.926316
"587907"	1419.710308	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"3M+2K"	77.926316
"1078616"	499.212208	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2K"	77.926316
"1103444"	999.431692	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2K+H"	78.933592
"1340923"	999.519307	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+DMSO+H"	79.021207
"1011638"	1003.558476	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2ACN+H"	83.060376
"1531949"	1004.552108	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+IsoProp+Na+H"	84.054008
"1000583"	502.282876	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+2ACN+2H"	84.067652
"1597272"	1005.466728	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+K+HCOOH"	84.968628
"1419656"	1035.498238	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+H+CF3COOH"	115.000138
"1154317"	522.796151	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+3ACN+2H"	125.094202
"1701679"	1052.524785	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+NH4+CF3COOH"	132.026685
"1639520"	1057.48018	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+Na+CF3COOH"	136.98208
"1583919"	1073.45412	"C08904"	"Officinalisnin I"	"C45H76O19"	"920.4981"	"M+K+CF3COOH"	152.95602
"813191"	886.4926	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M"	0
"987818"	867.47421	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-H2O-H"	-19.01839
"70591"	589.987790666667	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M-3H"	-3.021828
"514528"	885.485324	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M-3H"	-3.021828
"887955"	294.490257333333	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-3H"	-3.021828
"8716"	885.485324	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M-2H"	-2.014552
"449370"	1328.731624	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M-2H"	-2.014552
"823890"	442.239024	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-2H"	-2.014552
"86071"	1771.977924	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M-H"	-1.007276
"520162"	2658.470524	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M-H"	-1.007276
"896502"	885.485324	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-H"	-1.007276
"51248"	1789.004471	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M-2H+NH4"	16.019271
"488622"	2675.497071	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M-2H+NH4"	16.019271
"867509"	902.511871	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-2H+NH4"	16.019271
"37606"	1793.959866	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M-2H+Na"	20.974666
"483729"	2680.452466	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M-2H+Na"	20.974666
"861529"	907.467266	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-2H+Na"	20.974666
"1624509"	907.467266	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Na-2H"	20.974666
"102131"	903.473663	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M-H+Cl"	33.962126
"540598"	1346.719963	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M-H+Cl"	33.962126
"931926"	460.227363	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-H+Cl"	33.962126
"272670"	1807.954602	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+Cl"	34.969402
"661686"	2694.447202	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+Cl"	34.969402
"1274941"	921.462002	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Cl"	34.969402
"16524"	1809.933806	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M-2H+K"	36.948606
"463993"	2696.426406	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M-2H+K"	36.948606
"840703"	923.441206	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-2H+K"	36.948606
"1566379"	923.441206	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+K-2H"	36.948606
"952074"	931.490794	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-H+HCOOH"	44.998194
"369199"	1817.983401	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+HCOOH-H"	44.998201
"351991"	1831.999051	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+Hac-H"	59.013851
"1493896"	945.506451	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Hac-H"	59.013851
"960707"	953.472751	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-H+NaCOOH"	66.980151
"112167"	921.462002	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+2Cl"	69.938804
"552452"	1364.708302	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+2Cl"	69.938804
"1030005"	478.215702	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2Cl"	69.938804
"1245208"	965.411485	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Br"	78.918885
"1313125"	967.467472	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Cl+HCOOH"	80.974872
"1323330"	989.449429	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Cl+NaCOOH"	102.956829
"912201"	999.478186	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M-H+CF3COOH"	112.985586
"1288784"	1035.454864	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Cl+CF3COOH"	148.962264
"1369625"	851.479924	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H-2H2O"	-35.012676
"1383107"	869.4899	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H-H2O"	-17.0027
"282970"	1773.992476	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+H"	1.007276
"675943"	2660.485076	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+H"	1.007276
"1352048"	887.499876	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H"	1.007276
"125758"	887.499876	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+2H"	2.014552
"570583"	1330.746176	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+2H"	2.014552
"1037072"	444.253576	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2H"	2.014552
"204726"	592.002342666667	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+3H"	3.021828
"644472"	887.499876	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+3H"	3.021828
"1163872"	296.504809333333	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+3H"	3.021828
"429331"	1791.019023	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+NH4"	18.033823
"787045"	2677.511623	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+NH4"	18.033823
"1686657"	904.526423	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+NH4"	18.033823
"337123"	896.0131495	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+H+NH4"	19.041099
"726263"	1339.2594495	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+H+NH4"	19.041099
"1484458"	452.7668495	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H+NH4"	19.041099
"397670"	1795.974418	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+Na"	22.989218
"754776"	2682.467018	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+Na"	22.989218
"1604576"	909.481818	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Na"	22.989218
"315706"	898.490847	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+H+Na"	23.996494
"708249"	1341.737147	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+H+Na"	23.996494
"1464136"	455.244547	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H+Na"	23.996494
"1067612"	303.832123333333	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2H+Na"	25.00377
"1270744"	919.526086	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+CH3OH+H"	33.033486
"388590"	1811.948358	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+K"	38.963158
"750680"	2698.440958	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+K"	38.963158
"1551637"	925.455758	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+K"	38.963158
"308812"	906.477817	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+H+K"	39.970434
"701229"	1349.724117	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+H+K"	39.970434
"1458334"	463.231517	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H+K"	39.970434
"248026"	1815.019026	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+ACN+H"	42.033826
"1221827"	928.526426	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+ACN+H"	42.033826
"1203526"	464.766851	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+ACN+2H"	43.041102
"194211"	1817.95636	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+2Na-H"	44.97116
"639242"	2704.44896	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+2Na-H"	44.97116
"1141655"	931.46376	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2Na-H"	44.97116
"183852"	909.481818	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+2Na"	45.978436
"622321"	1352.728118	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+2Na"	45.978436
"1126922"	466.235518	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2Na"	45.978436
"1409352"	311.159437333333	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H+2Na"	46.985712
"1440375"	933.505346	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H+HCOOH"	47.012746
"226789"	914.51484	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+3H2O+2H"	56.04448
"1518129"	947.55739	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+IsoProp+H"	61.06479
"414536"	917.468788	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+Na+K"	61.952376
"774436"	1360.715088	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+Na+K"	61.952376
"1667485"	474.222488	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Na+K"	61.952376
"253034"	1837.000968	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+ACN+Na"	64.015768
"1225739"	950.508368	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+ACN+Na"	64.015768
"1712769"	950.531893	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+NH4+HCOOH"	64.039293
"1190807"	318.486751333333	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+3Na"	68.967654
"1657419"	955.487288	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Na+HCOOH"	68.994688
"158082"	1849.90424	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+2K-H"	76.91904
"608215"	2736.39684	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+2K-H"	76.91904
"1092728"	963.41164	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2K-H"	76.91904
"144803"	925.455758	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"2M+2K"	77.926316
"591297"	1368.702058	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"3M+2K"	77.926316
"1079817"	482.209458	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2K"	77.926316
"1105741"	965.426192	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2K+H"	78.933592
"1339939"	965.513807	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+DMSO+H"	79.021207
"1011748"	969.552976	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2ACN+H"	83.060376
"1530966"	970.546608	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+IsoProp+Na+H"	84.054008
"999599"	485.280126	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+2ACN+2H"	84.067652
"1596289"	971.461228	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+K+HCOOH"	84.968628
"1421953"	1001.492738	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+H+CF3COOH"	115.000138
"1154427"	505.793401	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+3ACN+2H"	125.094202
"1700696"	1018.519285	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+NH4+CF3COOH"	132.026685
"1639630"	1023.47468	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+Na+CF3COOH"	136.98208
"1584029"	1039.44862	"C08905"	"Osladin"	"C45H74O17"	"886.4926"	"M+K+CF3COOH"	152.95602
"814030"	1048.5454	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M"	0
"987565"	1029.52701	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-H2O-H"	-19.01839
"70701"	698.022990666667	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M-3H"	-3.021828
"514636"	1047.538124	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M-3H"	-3.021828
"889157"	348.507857333333	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-3H"	-3.021828
"9918"	1047.538124	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M-2H"	-2.014552
"445105"	1571.810824	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M-2H"	-2.014552
"822906"	523.265424	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-2H"	-2.014552
"86181"	2096.083524	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M-H"	-1.007276
"523552"	3144.628924	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M-H"	-1.007276
"895886"	1047.538124	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-H"	-1.007276
"51358"	2113.110071	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M-2H+NH4"	16.019271
"488732"	3161.655471	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M-2H+NH4"	16.019271
"864584"	1064.564671	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-2H+NH4"	16.019271
"37716"	2118.065466	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M-2H+Na"	20.974666
"481653"	3166.610866	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M-2H+Na"	20.974666
"860183"	1069.520066	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-2H+Na"	20.974666
"1623526"	1069.520066	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Na-2H"	20.974666
"104428"	1065.526463	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M-H+Cl"	33.962126
"542895"	1589.799163	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M-H+Cl"	33.962126
"930943"	541.253763	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-H+Cl"	33.962126
"270228"	2132.060202	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+Cl"	34.969402
"661919"	3180.605602	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+Cl"	34.969402
"1273471"	1083.514802	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Cl"	34.969402
"15717"	2134.039406	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M-2H+K"	36.948606
"467383"	3182.584806	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M-2H+K"	36.948606
"840812"	1085.494006	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-2H+K"	36.948606
"1564301"	1085.494006	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+K-2H"	36.948606
"953279"	1093.543594	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-H+HCOOH"	44.998194
"369309"	2142.089001	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+HCOOH-H"	44.998201
"353194"	2156.104651	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+Hac-H"	59.013851
"1493763"	1107.559251	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Hac-H"	59.013851
"960089"	1115.525551	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-H+NaCOOH"	66.980151
"111186"	1083.514802	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+2Cl"	69.938804
"554755"	1607.787502	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+2Cl"	69.938804
"1032303"	559.242102	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2Cl"	69.938804
"1250788"	1127.464285	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Br"	78.918885
"1313235"	1129.520272	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Cl+HCOOH"	80.974872
"1323806"	1151.502229	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Cl+NaCOOH"	102.956829
"918508"	1161.530986	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M-H+CF3COOH"	112.985586
"1290476"	1197.507664	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Cl+CF3COOH"	148.962264
"1367906"	1013.532724	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H-2H2O"	-35.012676
"1384310"	1031.5427	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H-H2O"	-17.0027
"282868"	2098.098076	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+H"	1.007276
"676783"	3146.643476	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+H"	1.007276
"1352162"	1049.552676	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H"	1.007276
"126510"	1049.552676	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+2H"	2.014552
"570693"	1573.825376	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+2H"	2.014552
"1037297"	525.279976	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2H"	2.014552
"204422"	700.037542666667	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+3H"	3.021828
"644390"	1049.552676	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+3H"	3.021828
"1167262"	350.522409333333	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+3H"	3.021828
"424943"	2115.124623	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+NH4"	18.033823
"785692"	3163.670023	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+NH4"	18.033823
"1683487"	1066.579223	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+NH4"	18.033823
"335046"	1058.0659495	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+H+NH4"	19.041099
"723821"	1582.3386495	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+H+NH4"	19.041099
"1485662"	533.7932495	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H+NH4"	19.041099
"393647"	2120.080018	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+Na"	22.989218
"755127"	3168.625418	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+Na"	22.989218
"1602807"	1071.534618	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Na"	22.989218
"315813"	1060.543647	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+H+Na"	23.996494
"709331"	1584.816347	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+H+Na"	23.996494
"1464246"	536.270947	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H+Na"	23.996494
"1057492"	357.849723333333	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2H+Na"	25.00377
"1270124"	1081.578886	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+CH3OH+H"	33.033486
"389793"	2136.053958	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+K"	38.963158
"749697"	3184.599358	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+K"	38.963158
"1549560"	1087.508558	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+K"	38.963158
"308921"	1068.530617	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+H+K"	39.970434
"701339"	1592.803317	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+H+K"	39.970434
"1454065"	544.257917	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H+K"	39.970434
"247041"	2139.124626	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+ACN+H"	42.033826
"1218656"	1090.579226	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+ACN+H"	42.033826
"1202543"	545.793251	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+ACN+2H"	43.041102
"194321"	2142.06196	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+2Na-H"	44.97116
"641538"	3190.60736	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+2Na-H"	44.97116
"1142858"	1093.51656	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2Na-H"	44.97116
"185784"	1071.534618	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+2Na"	45.978436
"626437"	1595.807318	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+2Na"	45.978436
"1127029"	547.261918	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2Na"	45.978436
"1411648"	365.177037333333	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H+2Na"	46.985712
"1440120"	1095.558146	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H+HCOOH"	47.012746
"229085"	1076.56764	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+3H2O+2H"	56.04448
"1514959"	1109.61019	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+IsoProp+H"	61.06479
"414645"	1079.521588	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+Na+K"	61.952376
"773453"	1603.794288	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+Na+K"	61.952376
"1666867"	555.248888	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Na+K"	61.952376
"255211"	2161.106568	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+ACN+Na"	64.015768
"1225852"	1112.561168	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+ACN+Na"	64.015768
"1712748"	1112.584693	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+NH4+HCOOH"	64.039293
"1188731"	372.504351333333	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+3Na"	68.967654
"1657529"	1117.540088	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Na+HCOOH"	68.994688
"157420"	2174.00984	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+2K-H"	76.91904
"608325"	3222.55524	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+2K-H"	76.91904
"1091014"	1125.46444	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2K-H"	76.91904
"144549"	1087.508558	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"2M+2K"	77.926316
"589219"	1611.781258	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"3M+2K"	77.926316
"1077011"	563.235858	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2K"	77.926316
"1104755"	1127.478992	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2K+H"	78.933592
"1342236"	1127.566607	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+DMSO+H"	79.021207
"1011856"	1131.605776	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2ACN+H"	83.060376
"1529982"	1132.599408	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+IsoProp+Na+H"	84.054008
"1000803"	566.306526	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+2ACN+2H"	84.067652
"1596399"	1133.514028	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+K+HCOOH"	84.968628
"1424250"	1163.545538	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+H+CF3COOH"	115.000138
"1154537"	586.819801	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+3ACN+2H"	125.094202
"1699347"	1180.572085	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+NH4+CF3COOH"	132.026685
"1639740"	1185.52748	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+Na+CF3COOH"	136.98208
"1584139"	1201.50142	"C08906"	"Parillin"	"C51H84O22"	"1048.5454"	"M+K+CF3COOH"	152.95602
"814140"	1048.5454	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M"	0
"988767"	1029.52701	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-H2O-H"	-19.01839
"74091"	698.022990666667	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M-3H"	-3.021828
"516933"	1047.538124	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M-3H"	-3.021828
"892548"	348.507857333333	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-3H"	-3.021828
"10028"	1047.538124	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M-2H"	-2.014552
"453236"	1571.810824	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M-2H"	-2.014552
"825203"	523.265424	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-2H"	-2.014552
"85196"	2096.083524	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M-H"	-1.007276
"528036"	3144.628924	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M-H"	-1.007276
"897456"	1047.538124	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-H"	-1.007276
"54748"	2113.110071	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M-2H+NH4"	16.019271
"488841"	3161.655471	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M-2H+NH4"	16.019271
"867732"	1064.564671	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-2H+NH4"	16.019271
"35634"	2118.065466	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M-2H+Na"	20.974666
"479576"	3166.610866	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M-2H+Na"	20.974666
"860293"	1069.520066	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-2H+Na"	20.974666
"1626916"	1069.520066	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Na-2H"	20.974666
"101258"	1065.526463	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M-H+Cl"	33.962126
"543006"	1589.799163	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M-H+Cl"	33.962126
"931054"	541.253763	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-H+Cl"	33.962126
"267543"	2132.060202	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+Cl"	34.969402
"660934"	3180.605602	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+Cl"	34.969402
"1272790"	1083.514802	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Cl"	34.969402
"15794"	2134.039406	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M-2H+K"	36.948606
"467497"	3182.584806	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M-2H+K"	36.948606
"842017"	1085.494006	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-2H+K"	36.948606
"1567693"	1085.494006	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+K-2H"	36.948606
"951203"	1093.543594	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-H+HCOOH"	44.998194
"367233"	2142.089001	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+HCOOH-H"	44.998201
"346499"	2156.104651	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+Hac-H"	59.013851
"1492741"	1107.559251	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Hac-H"	59.013851
"958588"	1115.525551	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-H+NaCOOH"	66.980151
"110485"	1083.514802	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+2Cl"	69.938804
"550856"	1607.787502	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+2Cl"	69.938804
"1022200"	559.242102	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2Cl"	69.938804
"1244337"	1127.464285	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Br"	78.918885
"1310065"	1129.520272	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Cl+HCOOH"	80.974872
"1328654"	1151.502229	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Cl+NaCOOH"	102.956829
"911449"	1161.530986	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M-H+CF3COOH"	112.985586
"1293139"	1197.507664	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Cl+CF3COOH"	148.962264
"1368020"	1013.532724	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H-2H2O"	-35.012676
"1384059"	1031.5427	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H-H2O"	-17.0027
"283378"	2098.098076	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+H"	1.007276
"675875"	3146.643476	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+H"	1.007276
"1353978"	1049.552676	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H"	1.007276
"132336"	1049.552676	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+2H"	2.014552
"566914"	1573.825376	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+2H"	2.014552
"1037287"	525.279976	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2H"	2.014552
"204317"	700.037542666667	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+3H"	3.021828
"644627"	1049.552676	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+3H"	3.021828
"1166279"	350.522409333333	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+3H"	3.021828
"432833"	2115.124623	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+NH4"	18.033823
"789454"	3163.670023	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+NH4"	18.033823
"1687972"	1066.579223	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+NH4"	18.033823
"337344"	1058.0659495	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+H+NH4"	19.041099
"731952"	1582.3386495	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+H+NH4"	19.041099
"1486866"	533.7932495	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H+NH4"	19.041099
"400079"	2120.080018	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+Na"	22.989218
"754873"	3168.625418	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+Na"	22.989218
"1603818"	1071.534618	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Na"	22.989218
"314709"	1060.543647	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+H+Na"	23.996494
"711628"	1584.816347	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+H+Na"	23.996494
"1469823"	536.270947	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H+Na"	23.996494
"1063070"	357.849723333333	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2H+Na"	25.00377
"1270231"	1081.578886	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+CH3OH+H"	33.033486
"388807"	2136.053958	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+K"	38.963158
"748711"	3184.599358	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+K"	38.963158
"1548577"	1087.508558	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+K"	38.963158
"309033"	1068.530617	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+H+K"	39.970434
"702544"	1592.803317	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+H+K"	39.970434
"1456365"	544.257917	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H+K"	39.970434
"246788"	2139.124626	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+ACN+H"	42.033826
"1219860"	1090.579226	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+ACN+H"	42.033826
"1201560"	545.793251	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+ACN+2H"	43.041102
"198803"	2142.06196	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+2Na-H"	44.97116
"640920"	3190.60736	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+2Na-H"	44.97116
"1142968"	1093.51656	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2Na-H"	44.97116
"185530"	1071.534618	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+2Na"	45.978436
"624724"	1595.807318	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+2Na"	45.978436
"1124954"	547.261918	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2Na"	45.978436
"1407385"	365.177037333333	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H+2Na"	46.985712
"1439500"	1095.558146	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H+HCOOH"	47.012746
"228102"	1076.56764	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+3H2O+2H"	56.04448
"1515433"	1109.61019	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+IsoProp+H"	61.06479
"414758"	1079.521588	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+Na+K"	61.952376
"773562"	1603.794288	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+Na+K"	61.952376
"1666734"	555.248888	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Na+K"	61.952376
"253862"	2161.106568	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+ACN+Na"	64.015768
"1226571"	1112.561168	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+ACN+Na"	64.015768
"1713508"	1112.584693	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+NH4+HCOOH"	64.039293
"1185558"	372.504351333333	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+3Na"	68.967654
"1657639"	1117.540088	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Na+HCOOH"	68.994688
"157168"	2174.00984	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+2K-H"	76.91904
"606978"	3222.55524	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+2K-H"	76.91904
"1087843"	1125.46444	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2K-H"	76.91904
"143196"	1087.508558	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"2M+2K"	77.926316
"586048"	1611.781258	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"3M+2K"	77.926316
"1077120"	563.235858	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2K"	77.926316
"1102678"	1127.478992	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2K+H"	78.933592
"1340157"	1127.566607	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+DMSO+H"	79.021207
"1010874"	1131.605776	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2ACN+H"	83.060376
"1531187"	1132.599408	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+IsoProp+Na+H"	84.054008
"997633"	566.306526	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+2ACN+2H"	84.067652
"1595414"	1133.514028	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+K+HCOOH"	84.968628
"1418891"	1163.545538	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+H+CF3COOH"	115.000138
"1154647"	586.819801	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+3ACN+2H"	125.094202
"1698731"	1180.572085	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+NH4+CF3COOH"	132.026685
"1639850"	1185.52748	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+Na+CF3COOH"	136.98208
"1584248"	1201.50142	"C08907"	"Protodioscin"	"C51H84O22"	"1048.5454"	"M+K+CF3COOH"	152.95602
"813521"	1064.5403	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M"	0
"987054"	1045.52191	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-H2O-H"	-19.01839
"73108"	708.686257333333	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M-3H"	-3.021828
"505013"	1063.533024	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M-3H"	-3.021828
"882814"	353.839490666667	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-3H"	-3.021828
"6858"	1063.533024	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M-2H"	-2.014552
"444231"	1595.803174	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M-2H"	-2.014552
"823125"	531.262874	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-2H"	-2.014552
"87493"	2128.073324	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M-H"	-1.007276
"524865"	3192.613624	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M-H"	-1.007276
"897444"	1063.533024	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-H"	-1.007276
"53765"	2145.099871	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M-2H+NH4"	16.019271
"490044"	3209.640171	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M-2H+NH4"	16.019271
"867842"	1080.559571	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-2H+NH4"	16.019271
"36837"	2150.055266	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M-2H+Na"	20.974666
"481873"	3214.595566	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M-2H+Na"	20.974666
"862226"	1085.514966	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-2H+Na"	20.974666
"1623746"	1085.514966	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Na-2H"	20.974666
"100274"	1081.521363	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M-H+Cl"	33.962126
"539836"	1613.791513	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M-H+Cl"	33.962126
"931164"	549.251213	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-H+Cl"	33.962126
"267569"	2164.050002	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+Cl"	34.969402
"662870"	3228.590302	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+Cl"	34.969402
"1274543"	1099.509702	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Cl"	34.969402
"16611"	2166.029206	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M-2H+K"	36.948606
"470524"	3230.569506	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M-2H+K"	36.948606
"844313"	1101.488906	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-2H+K"	36.948606
"1568896"	1101.488906	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+K-2H"	36.948606
"951313"	1109.538494	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-H+HCOOH"	44.998194
"367342"	2174.078801	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+HCOOH-H"	44.998201
"352323"	2188.094451	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+Hac-H"	59.013851
"1498967"	1123.554151	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Hac-H"	59.013851
"965416"	1131.520451	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-H+NaCOOH"	66.980151
"117603"	1099.509702	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+2Cl"	69.938804
"554976"	1631.779852	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+2Cl"	69.938804
"1027056"	567.239552	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2Cl"	69.938804
"1248821"	1143.459185	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Br"	78.918885
"1313456"	1145.515172	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Cl+HCOOH"	80.974872
"1328765"	1167.497129	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Cl+NaCOOH"	102.956829
"916543"	1177.525886	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M-H+CF3COOH"	112.985586
"1290698"	1213.502564	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Cl+CF3COOH"	148.962264
"1369225"	1029.527624	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H-2H2O"	-35.012676
"1385629"	1047.5376	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H-H2O"	-17.0027
"286040"	2130.087876	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+H"	1.007276
"676759"	3194.628176	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+H"	1.007276
"1354088"	1065.547576	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H"	1.007276
"129166"	1065.547576	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+2H"	2.014552
"570914"	1597.817726	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+2H"	2.014552
"1038617"	533.277426	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2H"	2.014552
"206881"	710.700809333333	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+3H"	3.021828
"645348"	1065.547576	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+3H"	3.021828
"1169673"	355.854042666667	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+3H"	3.021828
"430757"	2147.114423	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+NH4"	18.033823
"790659"	3211.654723	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+NH4"	18.033823
"1689177"	1082.574123	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+NH4"	18.033823
"338549"	1074.0608495	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+H+NH4"	19.041099
"730971"	1606.3309995	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+H+NH4"	19.041099
"1484792"	541.7906995	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H+NH4"	19.041099
"400190"	2152.069818	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+Na"	22.989218
"754740"	3216.610118	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+Na"	22.989218
"1604292"	1087.529518	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Na"	22.989218
"315306"	1076.538547	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+H+Na"	23.996494
"711009"	1608.808697	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+H+Na"	23.996494
"1466654"	544.268397	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H+Na"	23.996494
"1059901"	363.181356666667	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2H+Na"	25.00377
"1263773"	1097.573786	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+CH3OH+H"	33.033486
"391103"	2168.043758	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+K"	38.963158
"751736"	3232.584058	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+K"	38.963158
"1554518"	1103.503458	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+K"	38.963158
"310233"	1084.525517	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+H+K"	39.970434
"702654"	1616.795667	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+H+K"	39.970434
"1453193"	552.255367	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H+K"	39.970434
"249086"	2171.114426	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+ACN+H"	42.033826
"1216688"	1106.574126	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+ACN+H"	42.033826
"1203855"	553.790701	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+ACN+2H"	43.041102
"196727"	2174.05176	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+2Na-H"	44.97116
"630820"	3238.59206	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+2Na-H"	44.97116
"1144171"	1109.51146	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2Na-H"	44.97116
"181628"	1087.529518	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+2Na"	45.978436
"623741"	1619.799668	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+2Na"	45.978436
"1122147"	555.259368	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2Na"	45.978436
"1406402"	370.508670666667	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H+2Na"	46.985712
"1437424"	1111.553046	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H+HCOOH"	47.012746
"224931"	1092.56254	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+3H2O+2H"	56.04448
"1512262"	1125.60509	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+IsoProp+H"	61.06479
"411585"	1095.516488	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+Na+K"	61.952376
"771487"	1627.786638	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+Na+K"	61.952376
"1666237"	563.246338	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Na+K"	61.952376
"251571"	2193.096368	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+ACN+Na"	64.015768
"1225942"	1128.556068	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+ACN+Na"	64.015768
"1713008"	1128.579593	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+NH4+HCOOH"	64.039293
"1181293"	377.835984666667	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+3Na"	68.967654
"1650043"	1133.534988	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Na+HCOOH"	68.994688
"157679"	2205.99964	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+2K-H"	76.91904
"603441"	3270.53994	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+2K-H"	76.91904
"1086495"	1141.45934	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2K-H"	76.91904
"142578"	1103.503458	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"2M+2K"	77.926316
"589439"	1635.773608	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"3M+2K"	77.926316
"1072856"	571.233308	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2K"	77.926316
"1106068"	1143.473892	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2K+H"	78.933592
"1343546"	1143.561507	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+DMSO+H"	79.021207
"1013169"	1147.600676	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2ACN+H"	83.060376
"1532388"	1148.594308	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+IsoProp+Na+H"	84.054008
"997742"	574.303976	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+2ACN+2H"	84.067652
"1595524"	1149.508928	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+K+HCOOH"	84.968628
"1420094"	1179.540438	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+H+CF3COOH"	115.000138
"1154757"	594.817251	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+3ACN+2H"	125.094202
"1698841"	1196.566985	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+NH4+CF3COOH"	132.026685
"1639960"	1201.52238	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+Na+CF3COOH"	136.98208
"1584358"	1217.49632	"C08908"	"Protogracillin"	"C51H84O23"	"1064.5403"	"M+K+CF3COOH"	152.95602
"814727"	430.3083	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M"	0
"988259"	411.28991	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-H2O-H"	-19.01839
"76501"	285.864924	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M-3H"	-3.021828
"514966"	429.301024	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M-3H"	-3.021828
"891674"	142.428824	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-3H"	-3.021828
"11343"	429.301024	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M-2H"	-2.014552
"450903"	644.455174	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M-2H"	-2.014552
"830528"	214.146874	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-2H"	-2.014552
"87603"	859.609324	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M-H"	-1.007276
"524978"	1289.917624	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M-H"	-1.007276
"899500"	429.301024	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-H"	-1.007276
"50596"	876.635871	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M-2H+NH4"	16.019271
"492344"	1306.944171	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M-2H+NH4"	16.019271
"866862"	446.327571	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-2H+NH4"	16.019271
"34765"	881.591266	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M-2H+Na"	20.974666
"479795"	1311.899566	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M-2H+Na"	20.974666
"853221"	451.282966	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-2H+Na"	20.974666
"1624948"	451.282966	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Na-2H"	20.974666
"104759"	447.289363	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M-H+Cl"	33.962126
"537759"	662.443513	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M-H+Cl"	33.962126
"932369"	232.135213	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-H+Cl"	33.962126
"268737"	895.586002	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+Cl"	34.969402
"661396"	1325.894302	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+Cl"	34.969402
"1276843"	465.277702	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Cl"	34.969402
"31115"	897.565206	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M-2H+K"	36.948606
"470631"	1327.873506	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M-2H+K"	36.948606
"841143"	467.256906	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-2H+K"	36.948606
"1561351"	467.256906	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+K-2H"	36.948606
"949236"	475.306494	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-H+HCOOH"	44.998194
"369640"	905.614801	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+HCOOH-H"	44.998201
"349152"	919.630451	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+Hac-H"	59.013851
"1504910"	489.322151	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Hac-H"	59.013851
"962246"	497.288451	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-H+NaCOOH"	66.980151
"117714"	465.277702	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+2Cl"	69.938804
"553993"	680.431852	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+2Cl"	69.938804
"1032634"	250.123552	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2Cl"	69.938804
"1248931"	509.227185	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Br"	78.918885
"1315754"	511.283172	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Cl+HCOOH"	80.974872
"1333978"	533.265129	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Cl+NaCOOH"	102.956829
"921027"	543.293886	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M-H+CF3COOH"	112.985586
"1296641"	579.270564	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Cl+CF3COOH"	148.962264
"1372617"	395.295624	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H-2H2O"	-35.012676
"1384278"	413.3056	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H-H2O"	-17.0027
"289801"	861.623876	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+H"	1.007276
"680038"	1291.932176	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+H"	1.007276
"1354198"	431.315576	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H"	1.007276
"135839"	431.315576	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+2H"	2.014552
"572120"	646.469726	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+2H"	2.014552
"1044198"	216.161426	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2H"	2.014552
"208819"	287.879476	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+3H"	3.021828
"649473"	431.315576	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+3H"	3.021828
"1166505"	144.443376	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+3H"	3.021828
"427589"	878.650423	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+NH4"	18.033823
"790772"	1308.958723	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+NH4"	18.033823
"1687103"	448.342123	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+NH4"	18.033823
"335382"	439.8288495	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+H+NH4"	19.041099
"731084"	654.9829995	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+H+NH4"	19.041099
"1488184"	224.6746995	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H+NH4"	19.041099
"404676"	883.605818	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+Na"	22.989218
"756554"	1313.914118	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+Na"	22.989218
"1609391"	453.297518	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Na"	22.989218
"321617"	442.306547	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+H+Na"	23.996494
"716225"	657.460697	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+H+Na"	23.996494
"1468953"	227.152397	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H+Na"	23.996494
"1056731"	151.77069	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2H+Na"	25.00377
"1272276"	463.341786	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+CH3OH+H"	33.033486
"390118"	899.579758	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+K"	38.963158
"751484"	1329.888058	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+K"	38.963158
"1554264"	469.271458	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+K"	38.963158
"309255"	450.293517	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+H+K"	39.970434
"702768"	665.447667	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+H+K"	39.970434
"1456591"	235.139367	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H+K"	39.970434
"248833"	902.650426	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+ACN+H"	42.033826
"1221180"	472.342126	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+ACN+H"	42.033826
"1207612"	236.674701	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+ACN+2H"	43.041102
"194651"	905.58776	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+2Na-H"	44.97116
"636396"	1335.89606	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+2Na-H"	44.97116
"1141001"	475.27946	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2Na-H"	44.97116
"181374"	453.297518	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+2Na"	45.978436
"623852"	668.451668	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+2Na"	45.978436
"1122982"	238.143368	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2Na"	45.978436
"1408699"	159.098004	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H+2Na"	46.985712
"1440449"	477.321046	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H+HCOOH"	47.012746
"223218"	458.33054	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+3H2O+2H"	56.04448
"1512371"	491.37309	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+H"	61.06479
"410966"	461.284488	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+Na+K"	61.952376
"773784"	676.438638	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+Na+K"	61.952376
"1666591"	246.130338	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Na+K"	61.952376
"251931"	924.632368	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+ACN+Na"	64.015768
"1226423"	494.324068	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+ACN+Na"	64.015768
"1715668"	494.347593	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+NH4+HCOOH"	64.039293
"1182861"	166.425318	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+3Na"	68.967654
"1651294"	499.302988	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Na+HCOOH"	68.994688
"157665"	937.53564	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+2K-H"	76.91904
"603551"	1367.84394	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+2K-H"	76.91904
"1085876"	507.22734	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2K-H"	76.91904
"144513"	469.271458	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"2M+2K"	77.926316
"587360"	684.425608	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"3M+2K"	77.926316
"1072965"	254.117308	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2K"	77.926316
"1108364"	509.241892	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2K+H"	78.933592
"1344748"	509.329507	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+DMSO+H"	79.021207
"1013278"	513.368676	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2ACN+H"	83.060376
"1534686"	514.362308	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+Na+H"	84.054008
"997853"	257.187976	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+2ACN+2H"	84.067652
"1597822"	515.276928	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+K+HCOOH"	84.968628
"1421296"	545.308438	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+H+CF3COOH"	115.000138
"1148302"	277.701251	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+3ACN+2H"	125.094202
"1705509"	562.334985	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+NH4+CF3COOH"	132.026685
"1635695"	567.29038	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+Na+CF3COOH"	136.98208
"1574627"	583.26432	"C08909"	"Ruscogenin"	"C27H42O4"	"430.3083"	"M+K+CF3COOH"	152.95602
"812651"	1048.509	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M"	0
"982901"	1029.49061	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-H2O-H"	-19.01839
"71143"	697.998724	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M-3H"	-3.021828
"515077"	1047.501724	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M-3H"	-3.021828
"889600"	348.495724	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-3H"	-3.021828
"8174"	1047.501724	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M-2H"	-2.014552
"451745"	1571.756224	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M-2H"	-2.014552
"827723"	523.247224	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-2H"	-2.014552
"86623"	2096.010724	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M-H"	-1.007276
"526184"	3144.519724	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M-H"	-1.007276
"903988"	1047.501724	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-H"	-1.007276
"49614"	2113.037271	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M-2H+NH4"	16.019271
"488443"	3161.546271	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M-2H+NH4"	16.019271
"873537"	1064.528271	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-2H+NH4"	16.019271
"40345"	2117.992666	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M-2H+Na"	20.974666
"476625"	3166.501666	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M-2H+Na"	20.974666
"857708"	1069.483666	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-2H+Na"	20.974666
"1622871"	1069.483666	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Na-2H"	20.974666
"100496"	1065.490063	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M-H+Cl"	33.962126
"541149"	1589.744563	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M-H+Cl"	33.962126
"932479"	541.235563	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-H+Cl"	33.962126
"269453"	2131.987402	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+Cl"	34.969402
"664185"	3180.496402	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+Cl"	34.969402
"1279140"	1083.478402	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Cl"	34.969402
"31306"	2133.966606	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M-2H+K"	36.948606
"465636"	3182.475606	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M-2H+K"	36.948606
"837973"	1085.457606	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-2H+K"	36.948606
"1563649"	1085.457606	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+K-2H"	36.948606
"952624"	1093.507194	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-H+HCOOH"	44.998194
"369750"	2142.016201	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+HCOOH-H"	44.998201
"353635"	2156.031851	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+Hac-H"	59.013851
"1503196"	1107.522851	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Hac-H"	59.013851
"966728"	1115.489151	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-H+NaCOOH"	66.980151
"121102"	1083.478402	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+2Cl"	69.938804
"560664"	1607.732902	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+2Cl"	69.938804
"1034567"	559.223902	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2Cl"	69.938804
"1251229"	1127.427885	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Br"	78.918885
"1316958"	1129.483872	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Cl+HCOOH"	80.974872
"1330078"	1151.465829	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Cl+NaCOOH"	102.956829
"918951"	1161.494586	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M-H+CF3COOH"	112.985586
"1293472"	1197.471264	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Cl+CF3COOH"	148.962264
"1376008"	1013.496324	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H-2H2O"	-35.012676
"1383538"	1031.5063	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H-H2O"	-17.0027
"289911"	2098.025276	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+H"	1.007276
"680148"	3146.534276	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+H"	1.007276
"1355401"	1049.516276	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H"	1.007276
"135949"	1049.516276	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+2H"	2.014552
"573323"	1573.770776	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+2H"	2.014552
"1046496"	525.261776	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2H"	2.014552
"209292"	700.013276	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+3H"	3.021828
"649584"	1049.516276	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+3H"	3.021828
"1167705"	350.510276	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+3H"	3.021828
"430978"	2115.051823	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+NH4"	18.033823
"790879"	3163.560823	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+NH4"	18.033823
"1690491"	1066.542823	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+NH4"	18.033823
"337674"	1058.0295495	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+H+NH4"	19.041099
"732283"	1582.2840495	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+H+NH4"	19.041099
"1486102"	533.7750495	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H+NH4"	19.041099
"403689"	2120.007218	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+Na"	22.989218
"757029"	3168.516218	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+Na"	22.989218
"1609501"	1071.498218	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Na"	22.989218
"322819"	1060.507247	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+H+Na"	23.996494
"718521"	1584.761747	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+H+Na"	23.996494
"1471249"	536.252747	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H+Na"	23.996494
"1057932"	357.83759	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2H+Na"	25.00377
"1262898"	1081.542486	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+CH3OH+H"	33.033486
"382570"	2135.981158	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+K"	38.963158
"741378"	3184.490158	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+K"	38.963158
"1552555"	1087.472158	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+K"	38.963158
"309364"	1068.494217	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+H+K"	39.970434
"703245"	1592.748717	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+H+K"	39.970434
"1456700"	544.239717	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H+K"	39.970434
"248579"	2139.051826	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+ACN+H"	42.033826
"1220197"	1090.542826	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+ACN+H"	42.033826
"1205171"	545.775051	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+ACN+2H"	43.041102
"194761"	2141.98916	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+2Na-H"	44.97116
"635413"	3190.49816	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+2Na-H"	44.97116
"1142204"	1093.48016	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2Na-H"	44.97116
"181120"	1071.498218	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+2Na"	45.978436
"623961"	1595.752718	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+2Na"	45.978436
"1123093"	547.243718	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2Na"	45.978436
"1407716"	365.164904	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H+2Na"	46.985712
"1439830"	1095.521746	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H+HCOOH"	47.012746
"226244"	1076.53124	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+3H2O+2H"	56.04448
"1512118"	1109.57379	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+IsoProp+H"	61.06479
"410712"	1079.485188	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+Na+K"	61.952376
"773894"	1603.739688	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+Na+K"	61.952376
"1665888"	555.230688	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Na+K"	61.952376
"251639"	2161.033768	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+ACN+Na"	64.015768
"1227263"	1112.524768	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+ACN+Na"	64.015768
"1715050"	1112.548293	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+NH4+HCOOH"	64.039293
"1180420"	372.492218	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+3Na"	68.967654
"1652497"	1117.503688	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Na+HCOOH"	68.994688
"158992"	2173.93704	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+2K-H"	76.91904
"603297"	3222.44604	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+2K-H"	76.91904
"1085986"	1125.42804	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2K-H"	76.91904
"144623"	1087.472158	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"2M+2K"	77.926316
"589657"	1611.726658	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"3M+2K"	77.926316
"1073075"	563.217658	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2K"	77.926316
"1109566"	1127.442592	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2K+H"	78.933592
"1343765"	1127.530207	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+DMSO+H"	79.021207
"1012296"	1131.569376	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2ACN+H"	83.060376
"1532610"	1132.563008	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+IsoProp+Na+H"	84.054008
"997963"	566.288326	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+2ACN+2H"	84.067652
"1599026"	1133.477628	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+K+HCOOH"	84.968628
"1419219"	1163.509138	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+H+CF3COOH"	115.000138
"1152787"	586.801601	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+3ACN+2H"	125.094202
"1702340"	1180.535685	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+NH4+CF3COOH"	132.026685
"1635076"	1185.49108	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+Na+CF3COOH"	136.98208
"1584578"	1201.46502	"C08910"	"Ruscoside"	"C50H80O23"	"1048.509"	"M+K+CF3COOH"	152.95602
"816041"	1228.6088	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M"	0
"987386"	1209.59041	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-H2O-H"	-19.01839
"77573"	818.065257333333	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M-3H"	-3.021828
"516282"	1227.601524	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M-3H"	-3.021828
"891897"	408.528990666667	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-3H"	-3.021828
"10471"	1227.601524	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M-2H"	-2.014552
"451126"	1841.905924	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M-2H"	-2.014552
"826741"	613.297124	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-2H"	-2.014552
"81267"	2456.210324	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M-H"	-1.007276
"524108"	3684.819124	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M-H"	-1.007276
"904098"	1227.601524	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-H"	-1.007276
"50817"	2473.236871	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M-2H+NH4"	16.019271
"488190"	3701.845671	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M-2H+NH4"	16.019271
"873647"	1244.628071	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-2H+NH4"	16.019271
"40455"	2478.192266	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M-2H+Na"	20.974666
"474548"	3706.801066	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M-2H+Na"	20.974666
"860734"	1249.583466	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-2H+Na"	20.974666
"1625169"	1249.583466	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Na-2H"	20.974666
"100606"	1245.589863	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M-H+Cl"	33.962126
"542353"	1859.894263	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M-H+Cl"	33.962126
"931495"	631.285463	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-H+Cl"	33.962126
"267860"	2492.187002	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+Cl"	34.969402
"663567"	3720.795802	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+Cl"	34.969402
"1277427"	1263.578202	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Cl"	34.969402
"23995"	2494.166206	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M-2H+K"	36.948606
"466839"	3722.775006	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M-2H+K"	36.948606
"844643"	1265.557406	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-2H+K"	36.948606
"1567039"	1265.557406	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+K-2H"	36.948606
"956016"	1273.606994	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-H+HCOOH"	44.998194
"372047"	2502.215801	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+HCOOH-H"	44.998201
"354839"	2516.231451	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+Hac-H"	59.013851
"1505493"	1287.622651	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Hac-H"	59.013851
"969754"	1295.588951	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-H+NaCOOH"	66.980151
"124859"	1263.578202	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+2Cl"	69.938804
"560774"	1877.882602	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+2Cl"	69.938804
"1036135"	649.273802	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2Cl"	69.938804
"1256971"	1307.527685	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Br"	78.918885
"1319254"	1309.583672	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Cl+HCOOH"	80.974872
"1329095"	1331.565629	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Cl+NaCOOH"	102.956829
"919061"	1341.594386	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M-H+CF3COOH"	112.985586
"1293582"	1377.571064	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Cl+CF3COOH"	148.962264
"1369557"	1193.596124	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H-2H2O"	-35.012676
"1384864"	1211.6061	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H-H2O"	-17.0027
"290021"	2458.224876	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+H"	1.007276
"676364"	3686.833676	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+H"	1.007276
"1354418"	1229.616076	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H"	1.007276
"136059"	1229.616076	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+2H"	2.014552
"580725"	1843.920476	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+2H"	2.014552
"1047700"	615.311676	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2H"	2.014552
"209402"	820.079809333333	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+3H"	3.021828
"648601"	1229.616076	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+3H"	3.021828
"1165994"	410.543542666667	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+3H"	3.021828
"428173"	2475.251423	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+NH4"	18.033823
"789897"	3703.860223	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+NH4"	18.033823
"1689508"	1246.642623	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+NH4"	18.033823
"337786"	1238.1293495	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+H+NH4"	19.041099
"731300"	1852.4337495	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+H+NH4"	19.041099
"1486214"	623.8249495	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H+NH4"	19.041099
"401614"	2480.206818	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+Na"	22.989218
"758233"	3708.815618	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+Na"	22.989218
"1604143"	1251.598018	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Na"	22.989218
"322929"	1240.607047	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+H+Na"	23.996494
"715350"	1854.911447	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+H+Na"	23.996494
"1468077"	626.302647	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H+Na"	23.996494
"1054761"	417.870856666667	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2H+Na"	25.00377
"1263008"	1261.642286	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+CH3OH+H"	33.033486
"380859"	2496.180758	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+K"	38.963158
"743675"	3724.789558	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+K"	38.963158
"1551205"	1267.571958	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+K"	38.963158
"310567"	1248.594017	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+H+K"	39.970434
"700802"	1862.898417	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+H+K"	39.970434
"1456809"	634.289617	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H+K"	39.970434
"248688"	2499.251426	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+ACN+H"	42.033826
"1219212"	1270.642626	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+ACN+H"	42.033826
"1204188"	635.824951	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+ACN+2H"	43.041102
"194871"	2502.18876	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+2Na-H"	44.97116
"634429"	3730.79756	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+2Na-H"	44.97116
"1135383"	1273.57996	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2Na-H"	44.97116
"177217"	1251.598018	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+2Na"	45.978436
"617143"	1865.902418	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+2Na"	45.978436
"1121742"	637.293618	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2Na"	45.978436
"1408920"	425.198170666667	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H+2Na"	46.985712
"1439940"	1275.621546	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H+HCOOH"	47.012746
"227448"	1256.63104	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+3H2O+2H"	56.04448
"1513322"	1289.67359	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+IsoProp+H"	61.06479
"413009"	1259.584988	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+Na+K"	61.952376
"774004"	1873.889388	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+Na+K"	61.952376
"1666809"	645.280588	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Na+K"	61.952376
"253212"	2521.233368	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+ACN+Na"	64.015768
"1226035"	1292.624568	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+ACN+Na"	64.015768
"1714066"	1292.648093	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+NH4+HCOOH"	64.039293
"1190372"	432.525484666667	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+3Na"	68.967654
"1652973"	1297.603488	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Na+HCOOH"	68.994688
"159225"	2534.13664	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+2K-H"	76.91904
"603407"	3762.74544	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+2K-H"	76.91904
"1088283"	1305.52784	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2K-H"	76.91904
"144733"	1267.571958	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"2M+2K"	77.926316
"589768"	1881.876358	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"3M+2K"	77.926316
"1077562"	653.267558	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2K"	77.926316
"1108584"	1307.542392	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2K+H"	78.933592
"1343875"	1307.630007	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+DMSO+H"	79.021207
"1013501"	1311.669176	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2ACN+H"	83.060376
"1533815"	1312.662808	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+IsoProp+Na+H"	84.054008
"999168"	656.338226	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+2ACN+2H"	84.067652
"1599136"	1313.577428	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+K+HCOOH"	84.968628
"1423705"	1343.608938	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+H+CF3COOH"	115.000138
"1155086"	676.851501	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+3ACN+2H"	125.094202
"1702450"	1360.635485	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+NH4+CF3COOH"	132.026685
"1635550"	1365.59088	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+Na+CF3COOH"	136.98208
"1574847"	1381.56482	"C08911"	"Sarsaparilloside"	"C57H96O28"	"1228.6088"	"M+K+CF3COOH"	152.95602
"812871"	886.4926	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M"	0
"987497"	867.47421	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-H2O-H"	-19.01839
"74646"	589.987790666667	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M-3H"	-3.021828
"514205"	885.485324	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M-3H"	-3.021828
"890914"	294.490257333333	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-3H"	-3.021828
"8398"	885.485324	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M-2H"	-2.014552
"445770"	1328.731624	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M-2H"	-2.014552
"826851"	442.239024	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-2H"	-2.014552
"80285"	1771.977924	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M-H"	-1.007276
"524218"	2658.470524	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M-H"	-1.007276
"906395"	885.485324	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-H"	-1.007276
"57489"	1789.004471	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M-2H+NH4"	16.019271
"492675"	2675.497071	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M-2H+NH4"	16.019271
"873759"	902.511871	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-2H+NH4"	16.019271
"40565"	1793.959866	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M-2H+Na"	20.974666
"481225"	2680.452466	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M-2H+Na"	20.974666
"855745"	907.467266	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-2H+Na"	20.974666
"1629655"	907.467266	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Na-2H"	20.974666
"99623"	903.473663	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M-H+Cl"	33.962126
"545744"	1346.719963	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M-H+Cl"	33.962126
"934886"	460.227363	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-H+Cl"	33.962126
"269066"	1807.954602	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+Cl"	34.969402
"666957"	2694.447202	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+Cl"	34.969402
"1279360"	921.462002	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Cl"	34.969402
"23012"	1809.933806	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M-2H+K"	36.948606
"463668"	2696.426406	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M-2H+K"	36.948606
"841473"	923.441206	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-2H+K"	36.948606
"1567150"	923.441206	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+K-2H"	36.948606
"949567"	931.490794	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-H+HCOOH"	44.998194
"373981"	1817.983401	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+HCOOH-H"	44.998201
"356042"	1831.999051	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+Hac-H"	59.013851
"1506333"	945.506451	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Hac-H"	59.013851
"971689"	953.472751	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-H+NaCOOH"	66.980151
"119138"	921.462002	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+2Cl"	69.938804
"558699"	1364.708302	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+2Cl"	69.938804
"1034057"	478.215702	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2Cl"	69.938804
"1252542"	965.411485	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Br"	78.918885
"1314991"	967.467472	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Cl+HCOOH"	80.974872
"1328113"	989.449429	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Cl+NaCOOH"	102.956829
"919173"	999.478186	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M-H+CF3COOH"	112.985586
"1296974"	1035.454864	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Cl+CF3COOH"	148.962264
"1372948"	851.479924	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H-2H2O"	-35.012676
"1384975"	869.4899	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H-H2O"	-17.0027
"289038"	1773.992476	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+H"	1.007276
"679269"	2660.485076	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+H"	1.007276
"1354528"	887.499876	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H"	1.007276
"138356"	887.499876	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+2H"	2.014552
"572448"	1330.746176	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+2H"	2.014552
"1041248"	444.253576	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2H"	2.014552
"210242"	592.002342666667	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+3H"	3.021828
"653082"	887.499876	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+3H"	3.021828
"1165741"	296.504809333333	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+3H"	3.021828
"431198"	1791.019023	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+NH4"	18.033823
"788182"	2677.511623	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+NH4"	18.033823
"1685242"	904.526423	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+NH4"	18.033823
"333520"	896.0131495	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+H+NH4"	19.041099
"730315"	1339.2594495	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+H+NH4"	19.041099
"1485230"	452.7668495	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H+NH4"	19.041099
"399535"	1795.974418	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+Na"	22.989218
"761623"	2682.467018	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+Na"	22.989218
"1603888"	909.481818	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Na"	22.989218
"324134"	898.490847	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+H+Na"	23.996494
"716556"	1341.737147	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+H+Na"	23.996494
"1468188"	455.244547	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H+Na"	23.996494
"1056330"	303.832123333333	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2H+Na"	25.00377
"1259837"	919.526086	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+CH3OH+H"	33.033486
"379509"	1811.948358	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+K"	38.963158
"742694"	2698.440958	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+K"	38.963158
"1550222"	925.455758	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+K"	38.963158
"307399"	906.477817	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+H+K"	39.970434
"700912"	1349.724117	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+H+K"	39.970434
"1454732"	463.231517	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H+K"	39.970434
"245518"	1815.019026	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+ACN+H"	42.033826
"1220416"	928.526426	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+ACN+H"	42.033826
"1203204"	464.766851	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+ACN+2H"	43.041102
"194980"	1817.95636	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+2Na-H"	44.97116
"632353"	2704.44896	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+2Na-H"	44.97116
"1131410"	931.46376	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2Na-H"	44.97116
"175141"	909.481818	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+2Na"	45.978436
"616891"	1352.728118	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+2Na"	45.978436
"1119301"	466.235518	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2Na"	45.978436
"1409031"	311.159437333333	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H+2Na"	46.985712
"1440050"	933.505346	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H+HCOOH"	47.012746
"228652"	914.51484	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+3H2O+2H"	56.04448
"1516712"	947.55739	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+IsoProp+H"	61.06479
"412026"	917.468788	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+Na+K"	61.952376
"776301"	1360.715088	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+Na+K"	61.952376
"1666799"	474.222488	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Na+K"	61.952376
"252958"	1837.000968	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+ACN+Na"	64.015768
"1225637"	950.508368	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+ACN+Na"	64.015768
"1714544"	950.531893	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+NH4+HCOOH"	64.039293
"1191211"	318.486751333333	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+3Na"	68.967654
"1651990"	955.487288	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Na+HCOOH"	68.994688
"158483"	1849.90424	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+2K-H"	76.91904
"606797"	2736.39684	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+2K-H"	76.91904
"1091309"	963.41164	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2K-H"	76.91904
"143749"	925.455758	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"2M+2K"	77.926316
"589878"	1368.702058	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"3M+2K"	77.926316
"1075484"	482.209458	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2K"	77.926316
"1100428"	965.426192	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2K+H"	78.933592
"1337426"	965.513807	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+DMSO+H"	79.021207
"1011423"	969.552976	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2ACN+H"	83.060376
"1531737"	970.546608	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+IsoProp+Na+H"	84.054008
"997092"	485.280126	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+2ACN+2H"	84.067652
"1597061"	971.461228	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+K+HCOOH"	84.968628
"1420536"	1001.492738	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+H+CF3COOH"	115.000138
"1151917"	505.793401	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+3ACN+2H"	125.094202
"1702562"	1018.519285	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+NH4+CF3COOH"	132.026685
"1640400"	1023.47468	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+Na+CF3COOH"	136.98208
"1584798"	1039.44862	"C08912"	"Sarsasapogenin 3-O-4G-rhamnosylsophoroside"	"C45H74O17"	"886.4926"	"M+K+CF3COOH"	152.95602
"815534"	416.329	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M"	0
"988581"	397.31061	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"73663"	276.545390666667	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"517353"	415.321724	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"894302"	137.769057333333	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"9602"	415.321724	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"446974"	623.486224	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"826960"	207.157224	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"80395"	831.650724	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"522141"	1247.979724	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"906506"	415.321724	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"55413"	848.677271	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"496798"	1265.006271	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"874962"	432.348271	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"40678"	853.632666	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"482428"	1269.961666	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"861324"	437.303666	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1631953"	437.303666	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"106296"	433.310063	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"544763"	641.474563	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"936092"	225.145563	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"273556"	867.627402	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"671444"	1283.956402	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1280565"	451.298402	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"26405"	869.606606	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"468153"	1285.935606	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"841583"	453.277606	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1570179"	453.277606	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"957699"	461.327194	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"374457"	877.656201	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"356153"	891.671851	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1503892"	475.342851	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"968153"	483.309151	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"119249"	451.298402	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"555530"	659.462902	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1029797"	243.133902	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1255206"	495.247885	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1317290"	497.303872	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1332599"	519.285829	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"921472"	529.314586	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1299273"	565.291264	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1375246"	381.316324	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1392740"	399.3263	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"290242"	833.665276	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"678288"	1249.994276	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1360106"	417.336276	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"140292"	417.336276	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"571466"	625.500776	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1045734"	209.171776	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"214729"	278.559942666667	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"655382"	417.336276	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1171319"	139.783609333333	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"429123"	850.691823	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"790117"	1267.020823	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1687540"	434.362823	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"336912"	425.8495495	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"729333"	634.0140495	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1486435"	217.6850495	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"407300"	855.647218	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"766108"	1271.976218	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1606915"	439.318218	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"326431"	428.327247	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"717759"	636.491747	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1471578"	220.162747	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1058265"	147.110923333333	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1258854"	449.362486	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"379620"	871.621158	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"740613"	1287.950158	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1543028"	455.292158	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"311519"	436.314217	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"703211"	644.478717	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1457030"	228.149717	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"244535"	874.691826	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1221257"	458.362826	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1204409"	229.685051	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"200562"	877.62916	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"640122"	1293.95816	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1135243"	461.30016	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"177440"	439.318218	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"624292"	647.482718	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1122330"	231.153718	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1411327"	154.438237333333	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1440160"	463.341746	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"227672"	444.35124	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1520103"	477.39379	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"420884"	447.305188	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"781878"	655.469688	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1670556"	239.140688	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"255984"	896.673768	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1229052"	480.344768	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1716481"	480.368293	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1187678"	161.765551333333	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1658297"	485.323688	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"166251"	909.57704	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"600351"	1325.90604	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1092513"	493.24804	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"149327"	455.292158	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"582089"	663.456658	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1070130"	247.127658	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1100903"	495.262592	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1335948"	495.350207	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1009349"	499.389376	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1524914"	500.383008	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"993922"	250.198326	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1594985"	501.297628	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1415664"	531.329138	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1155309"	270.711601	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1709235"	548.355685	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1645980"	553.31108	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1584909"	569.28502	"C08913"	"Smilagenin;(25R)-5beta-Spirostan-3beta-ol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"813090"	416.329	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M"	0
"988446"	397.31061	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"78396"	276.545390666667	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"516611"	415.321724	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"893319"	137.769057333333	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"10805"	415.321724	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"445991"	623.486224	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"825977"	207.157224	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"84878"	831.650724	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"524437"	1247.979724	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"910505"	415.321724	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"58804"	848.677271	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"499458"	1265.006271	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"872883"	432.348271	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"44066"	853.632666	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"485457"	1269.961666	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"861434"	437.303666	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1630969"	437.303666	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"108591"	433.310063	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"547059"	641.474563	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"938390"	225.145563	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"278040"	867.627402	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"668273"	1283.956402	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1280675"	451.298402	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"26515"	869.606606	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"468263"	1285.935606	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"841693"	453.277606	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1569193"	453.277606	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"955253"	461.327194	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"374933"	877.656201	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"358087"	891.671851	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1502909"	475.342851	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"968263"	483.309151	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"119360"	451.298402	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"561107"	659.462902	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1027719"	243.133902	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1253859"	495.247885	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1318375"	497.303872	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1332708"	519.285829	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"922675"	529.314586	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1302299"	565.291264	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1378636"	381.316324	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1389570"	399.3263	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"295819"	833.665276	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"682771"	1249.994276	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1363496"	417.336276	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"139311"	417.336276	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"578139"	625.500776	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1045846"	209.171776	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"214838"	278.559942666667	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"651120"	417.336276	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1169244"	139.783609333333	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"430328"	850.691823	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"791322"	1267.020823	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1690933"	434.362823	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"339941"	425.8495495	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"734547"	634.0140495	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1487638"	217.6850495	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"404130"	855.647218	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"766218"	1271.976218	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1607754"	439.318218	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"325446"	428.327247	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"717868"	636.491747	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1470594"	220.162747	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1058376"	147.110923333333	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1258963"	449.362486	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"381915"	871.621158	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"740723"	1287.950158	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1542045"	455.292158	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"308351"	436.314217	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"704051"	644.478717	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1457139"	228.149717	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"245737"	874.691826	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1218450"	458.362826	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1203429"	229.685051	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"200673"	877.62916	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"641325"	1293.95816	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1141550"	461.30016	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"180467"	439.318218	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"624402"	647.482718	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1126815"	231.153718	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1412530"	154.438237333333	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1441366"	463.341746	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"223768"	444.35124	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1515844"	477.39379	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"415530"	447.305188	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"777617"	655.469688	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1673949"	239.140688	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"258281"	896.673768	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1227709"	480.344768	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1714771"	480.368293	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1184874"	161.765551333333	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1659503"	485.323688	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"165269"	909.57704	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"602647"	1325.90604	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1092623"	493.24804	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"147254"	455.292158	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"585725"	663.456658	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1074248"	247.127658	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1101138"	495.262592	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1340929"	495.350207	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1008366"	499.389376	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1524908"	500.383008	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"999500"	250.198326	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1596188"	501.297628	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1414803"	531.329138	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1155421"	270.711601	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1709345"	548.355685	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1648277"	553.31108	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1585019"	569.28502	"C08914"	"Tigogenin;5-alpha-Spirostan-3-beta-ol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"808825"	1196.5826	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M"	0
"985638"	1177.56421	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-H2O-H"	-19.01839
"74972"	796.714457333333	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M-3H"	-3.021828
"512346"	1195.575324	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M-3H"	-3.021828
"886866"	397.853590666667	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-3H"	-3.021828
"6535"	1195.575324	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M-2H"	-2.014552
"448287"	1793.866624	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M-2H"	-2.014552
"823900"	597.284024	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-2H"	-2.014552
"82801"	2392.157924	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M-H"	-1.007276
"524547"	3588.740524	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M-H"	-1.007276
"908912"	1195.575324	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-H"	-1.007276
"58914"	2409.184471	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M-2H+NH4"	16.019271
"501392"	3605.767071	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M-2H+NH4"	16.019271
"872993"	1212.601871	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-2H+NH4"	16.019271
"44176"	2414.139866	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M-2H+Na"	20.974666
"485687"	3610.722466	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M-2H+Na"	20.974666
"862637"	1217.557266	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-2H+Na"	20.974666
"1628892"	1217.557266	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Na-2H"	20.974666
"105421"	1213.563663	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M-H+Cl"	33.962126
"546076"	1811.854963	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M-H+Cl"	33.962126
"940323"	615.272363	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-H+Cl"	33.962126
"273776"	2428.134602	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+Cl"	34.969402
"668383"	3624.717202	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+Cl"	34.969402
"1282972"	1231.552002	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Cl"	34.969402
"18603"	2430.113806	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M-2H+K"	36.948606
"468373"	3626.696406	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M-2H+K"	36.948606
"841803"	1233.531206	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-2H+K"	36.948606
"1570761"	1233.531206	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+K-2H"	36.948606
"952082"	1241.580794	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-H+HCOOH"	44.998194
"374671"	2438.163401	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+HCOOH-H"	44.998201
"348713"	2452.179051	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+Hac-H"	59.013851
"1507393"	1255.596451	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Hac-H"	59.013851
"970557"	1263.562751	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-H+NaCOOH"	66.980151
"121651"	1231.552002	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+2Cl"	69.938804
"564748"	1829.843302	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+2Cl"	69.938804
"1030019"	633.260702	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2Cl"	69.938804
"1256522"	1275.501485	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Br"	78.918885
"1318605"	1277.557472	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Cl+HCOOH"	80.974872
"1334645"	1299.539429	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Cl+NaCOOH"	102.956829
"925944"	1309.568186	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M-H+CF3COOH"	112.985586
"1302049"	1345.544864	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Cl+CF3COOH"	148.962264
"1379842"	1161.569924	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H-2H2O"	-35.012676
"1392962"	1179.5799	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H-H2O"	-17.0027
"294836"	2394.172476	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+H"	1.007276
"681789"	3590.755076	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+H"	1.007276
"1365794"	1197.589876	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H"	1.007276
"140879"	1197.589876	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+2H"	2.014552
"580441"	1795.881176	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+2H"	2.014552
"1049967"	599.298576	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2H"	2.014552
"217139"	798.729009333333	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+3H"	3.021828
"656333"	1197.589876	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+3H"	3.021828
"1171541"	399.868142666667	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+3H"	3.021828
"431532"	2411.199023	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+NH4"	18.033823
"795806"	3607.781623	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+NH4"	18.033823
"1692136"	1214.616423	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+NH4"	18.033823
"340415"	1206.1031495	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+H+NH4"	19.041099
"733565"	1804.3944495	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+H+NH4"	19.041099
"1486655"	607.8118495	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H+NH4"	19.041099
"406427"	2416.154418	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+Na"	22.989218
"767421"	3612.737018	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+Na"	22.989218
"1606771"	1219.571818	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Na"	22.989218
"320088"	1208.580847	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+H+Na"	23.996494
"717977"	1806.872147	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+H+Na"	23.996494
"1470704"	610.289547	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H+Na"	23.996494
"1056662"	407.195456666667	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2H+Na"	25.00377
"1259802"	1229.616086	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+CH3OH+H"	33.033486
"382025"	2432.128358	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+K"	38.963158
"740468"	3628.710958	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+K"	38.963158
"1545069"	1235.545758	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+K"	38.963158
"312104"	1216.567817	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+H+K"	39.970434
"704527"	1814.859117	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+H+K"	39.970434
"1459436"	618.276517	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H+K"	39.970434
"245847"	2435.199026	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+ACN+H"	42.033826
"1216373"	1238.616426	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+ACN+H"	42.033826
"1205724"	619.811851	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+ACN+2H"	43.041102
"197502"	2438.13636	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+2Na-H"	44.97116
"641435"	3634.71896	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+2Na-H"	44.97116
"1140567"	1241.55376	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2Na-H"	44.97116
"179483"	1219.571818	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+2Na"	45.978436
"624512"	1817.863118	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+2Na"	45.978436
"1122550"	621.280518	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2Na"	45.978436
"1413653"	414.522770666667	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H+2Na"	46.985712
"1439651"	1243.595346	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H+HCOOH"	47.012746
"228985"	1224.60484	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+3H2O+2H"	56.04448
"1519233"	1257.64739	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+IsoProp+H"	61.06479
"417826"	1227.558788	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+Na+K"	61.952376
"775905"	1825.850088	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+Na+K"	61.952376
"1670049"	629.267488	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Na+K"	61.952376
"254380"	2457.180968	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+ACN+Na"	64.015768
"1226725"	1260.598368	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+ACN+Na"	64.015768
"1713423"	1260.621893	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+NH4+HCOOH"	64.039293
"1186443"	421.850084666667	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+3Na"	68.967654
"1658522"	1265.577288	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Na+HCOOH"	68.994688
"164286"	2470.08424	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+2K-H"	76.91904
"603851"	3666.66684	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+2K-H"	76.91904
"1091640"	1273.50164	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2K-H"	76.91904
"147364"	1235.545758	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"2M+2K"	77.926316
"590575"	1833.837058	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"3M+2K"	77.926316
"1076909"	637.254458	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2K"	77.926316
"1105745"	1275.516192	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2K+H"	78.933592
"1345412"	1275.603807	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+DMSO+H"	79.021207
"1013943"	1279.642976	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2ACN+H"	83.060376
"1530975"	1280.636608	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+IsoProp+Na+H"	84.054008
"1000703"	640.325126	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+2ACN+2H"	84.067652
"1597391"	1281.551228	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+K+HCOOH"	84.968628
"1416859"	1311.582738	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+H+CF3COOH"	115.000138
"1156624"	660.838401	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+3ACN+2H"	125.094202
"1711641"	1328.609285	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+NH4+CF3COOH"	132.026685
"1649362"	1333.56468	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+Na+CF3COOH"	136.98208
"1585129"	1349.53862	"C08915"	"Tigonin"	"C56H92O27"	"1196.5826"	"M+K+CF3COOH"	152.95602
"805655"	580.3611	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M"	0
"979187"	561.34271	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-H2O-H"	-19.01839
"71802"	385.900124	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M-3H"	-3.021828
"505894"	579.353824	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M-3H"	-3.021828
"883695"	192.446424	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-3H"	-3.021828
"8832"	579.353824	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M-2H"	-2.014552
"447299"	869.534374	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M-2H"	-2.014552
"822914"	289.173274	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-2H"	-2.014552
"84005"	1159.714924	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M-H"	-1.007276
"520282"	1740.076024	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M-H"	-1.007276
"906835"	579.353824	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-H"	-1.007276
"57931"	1176.741471	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M-2H+NH4"	16.019271
"497489"	1757.102571	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M-2H+NH4"	16.019271
"869822"	596.380371	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-2H+NH4"	16.019271
"43191"	1181.696866	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M-2H+Na"	20.974666
"482756"	1762.057966	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M-2H+Na"	20.974666
"862623"	601.335766	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-2H+Na"	20.974666
"1630095"	601.335766	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Na-2H"	20.974666
"108447"	597.342163	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M-H+Cl"	33.962126
"548008"	887.522713	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M-H+Cl"	33.962126
"940797"	307.161613	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-H+Cl"	33.962126
"273886"	1195.691602	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+Cl"	34.969402
"668494"	1776.052702	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+Cl"	34.969402
"1283083"	615.330502	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Cl"	34.969402
"18713"	1197.670806	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M-2H+K"	36.948606
"469577"	1778.031906	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M-2H+K"	36.948606
"841913"	617.309706	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-2H+K"	36.948606
"1570507"	617.309706	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+K-2H"	36.948606
"952192"	625.359294	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-H+HCOOH"	44.998194
"374781"	1205.720401	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+HCOOH-H"	44.998201
"349916"	1219.736051	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+Hac-H"	59.013851
"1505312"	639.374951	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Hac-H"	59.013851
"970667"	647.341251	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-H+NaCOOH"	66.980151
"121761"	615.330502	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+2Cl"	69.938804
"565295"	905.511052	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+2Cl"	69.938804
"1035844"	325.149952	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2Cl"	69.938804
"1256269"	659.279985	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Br"	78.918885
"1318593"	661.335972	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Cl+HCOOH"	80.974872
"1334874"	683.317929	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Cl+NaCOOH"	102.956829
"926175"	693.346686	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M-H+CF3COOH"	112.985586
"1300702"	729.323364	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Cl+CF3COOH"	148.962264
"1381046"	545.348424	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H-2H2O"	-35.012676
"1394166"	563.3584	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H-H2O"	-17.0027
"297133"	1161.729476	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+H"	1.007276
"682993"	1742.090576	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+H"	1.007276
"1364810"	581.368376	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H"	1.007276
"139168"	581.368376	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+2H"	2.014552
"579825"	871.548926	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+2H"	2.014552
"1051176"	291.187826	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2H"	2.014552
"218588"	387.914676	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+3H"	3.021828
"656079"	581.368376	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+3H"	3.021828
"1176024"	194.460976	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+3H"	3.021828
"432735"	1178.756023	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+NH4"	18.033823
"794822"	1759.117123	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+NH4"	18.033823
"1691153"	598.394923	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+NH4"	18.033823
"340525"	589.8816495	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+H+NH4"	19.041099
"733675"	880.0621995	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+H+NH4"	19.041099
"1487860"	299.7010995	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H+NH4"	19.041099
"401073"	1183.711418	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+Na"	22.989218
"766441"	1764.072518	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+Na"	22.989218
"1615631"	603.350318	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Na"	22.989218
"321292"	592.359347	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+H+Na"	23.996494
"719181"	882.539897	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+H+Na"	23.996494
"1471908"	302.178797	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H+Na"	23.996494
"1057501"	201.78829	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2H+Na"	25.00377
"1260277"	613.394586	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+CH3OH+H"	33.033486
"381042"	1199.685358	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+K"	38.963158
"740942"	1780.046458	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+K"	38.963158
"1540805"	619.324258	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+K"	38.963158
"312946"	600.346317	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+H+K"	39.970434
"706953"	890.526867	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+H+K"	39.970434
"1458453"	310.165767	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H+K"	39.970434
"245957"	1202.756026	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+ACN+H"	42.033826
"1220857"	622.394926	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+ACN+H"	42.033826
"1205834"	311.701101	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+ACN+2H"	43.041102
"202595"	1205.69336	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+2Na-H"	44.97116
"641545"	1786.05446	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+2Na-H"	44.97116
"1140677"	625.33226	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2Na-H"	44.97116
"180686"	603.350318	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+2Na"	45.978436
"617326"	893.530868	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+2Na"	45.978436
"1125940"	313.169768	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2Na"	45.978436
"1413480"	209.115604	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H+2Na"	46.985712
"1437210"	627.373846	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H+HCOOH"	47.012746
"232375"	608.38334	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+3H2O+2H"	56.04448
"1517156"	641.42589	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+IsoProp+H"	61.06479
"417936"	611.337288	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+Na+K"	61.952376
"776744"	901.517838	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+Na+K"	61.952376
"1665824"	321.156738	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Na+K"	61.952376
"251938"	1224.737968	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+ACN+Na"	64.015768
"1226835"	644.376868	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+ACN+Na"	64.015768
"1714263"	644.400393	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+NH4+HCOOH"	64.039293
"1183631"	216.442918	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+3Na"	68.967654
"1655346"	649.355788	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Na+HCOOH"	68.994688
"158924"	1237.64124	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+2K-H"	76.91904
"606147"	1818.00234	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+2K-H"	76.91904
"1089563"	657.28014	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2K-H"	76.91904
"148568"	619.324258	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"2M+2K"	77.926316
"592506"	909.504808	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"3M+2K"	77.926316
"1078112"	329.143708	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2K"	77.926316
"1109136"	659.294692	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2K+H"	78.933592
"1347711"	659.382307	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+DMSO+H"	79.021207
"1018065"	663.421476	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2ACN+H"	83.060376
"1536554"	664.415108	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+IsoProp+Na+H"	84.054008
"1004091"	332.214376	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+2ACN+2H"	84.067652
"1597501"	665.329728	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+K+HCOOH"	84.968628
"1425353"	695.361238	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+H+CF3COOH"	115.000138
"1157827"	352.727651	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+3ACN+2H"	125.094202
"1710658"	712.387785	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+NH4+CF3COOH"	132.026685
"1648863"	717.34318	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+Na+CF3COOH"	136.98208
"1585239"	733.31712	"C08916"	"Tokoronin"	"C32H52O9"	"580.3611"	"M+K+CF3COOH"	152.95602
"805765"	1048.5454	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M"	0
"976017"	1029.52701	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-H2O-H"	-19.01839
"71912"	698.022990666667	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M-3H"	-3.021828
"506004"	1047.538124	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M-3H"	-3.021828
"883805"	348.507857333333	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-3H"	-3.021828
"1287"	1047.538124	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M-2H"	-2.014552
"444128"	1571.810824	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M-2H"	-2.014552
"817797"	523.265424	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-2H"	-2.014552
"80828"	2096.083524	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M-H"	-1.007276
"520753"	3144.628924	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M-H"	-1.007276
"906945"	1047.538124	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-H"	-1.007276
"56947"	2113.110071	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M-2H+NH4"	16.019271
"496505"	3161.655471	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M-2H+NH4"	16.019271
"869932"	1064.564671	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-2H+NH4"	16.019271
"38927"	2118.065466	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M-2H+Na"	20.974666
"484690"	3166.610866	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M-2H+Na"	20.974666
"857385"	1069.520066	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-2H+Na"	20.974666
"1631177"	1069.520066	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Na-2H"	20.974666
"106734"	1065.526463	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M-H+Cl"	33.962126
"547144"	1589.799163	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M-H+Cl"	33.962126
"936531"	541.253763	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-H+Cl"	33.962126
"277276"	2132.060202	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+Cl"	34.969402
"668601"	3180.605602	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+Cl"	34.969402
"1283193"	1083.514802	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Cl"	34.969402
"20281"	2134.039406	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M-2H+K"	36.948606
"459480"	3182.584806	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M-2H+K"	36.948606
"843117"	1085.494006	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-2H+K"	36.948606
"1565513"	1085.494006	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+K-2H"	36.948606
"945741"	1093.543594	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-H+HCOOH"	44.998194
"366143"	2142.089001	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+HCOOH-H"	44.998201
"347471"	2156.104651	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+Hac-H"	59.013851
"1505422"	1107.559251	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Hac-H"	59.013851
"970777"	1115.525551	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-H+NaCOOH"	66.980151
"116402"	1083.514802	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+2Cl"	69.938804
"565079"	1607.787502	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+2Cl"	69.938804
"1035584"	559.242102	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2Cl"	69.938804
"1256254"	1127.464285	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Br"	78.918885
"1317730"	1129.520272	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Cl+HCOOH"	80.974872
"1334132"	1151.502229	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Cl+NaCOOH"	102.956829
"926281"	1161.530986	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M-H+CF3COOH"	112.985586
"1299709"	1197.507664	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Cl+CF3COOH"	148.962264
"1381156"	1013.532724	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H-2H2O"	-35.012676
"1394277"	1031.5427	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H-H2O"	-17.0027
"292870"	2098.098076	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+H"	1.007276
"688571"	3146.643476	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+H"	1.007276
"1364920"	1049.552676	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H"	1.007276
"139278"	1049.552676	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+2H"	2.014552
"579195"	1573.825376	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+2H"	2.014552
"1051166"	525.279976	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2H"	2.014552
"218456"	700.037542666667	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+3H"	3.021828
"656189"	1049.552676	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+3H"	3.021828
"1172855"	350.522409333333	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+3H"	3.021828
"433939"	2115.124623	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+NH4"	18.033823
"794932"	3163.670023	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+NH4"	18.033823
"1691262"	1066.579223	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+NH4"	18.033823
"340634"	1058.0659495	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+H+NH4"	19.041099
"734514"	1582.3386495	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+H+NH4"	19.041099
"1489063"	533.7932495	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H+NH4"	19.041099
"402276"	2120.080018	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+Na"	22.989218
"766186"	3168.625418	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+Na"	22.989218
"1613553"	1071.534618	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Na"	22.989218
"319214"	1060.543647	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+H+Na"	23.996494
"716739"	1584.816347	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+H+Na"	23.996494
"1470923"	536.270947	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H+Na"	23.996494
"1058702"	357.849723333333	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2H+Na"	25.00377
"1261480"	1081.578886	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+CH3OH+H"	33.033486
"381152"	2136.053958	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+K"	38.963158
"742145"	3184.599358	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+K"	38.963158
"1541279"	1087.508558	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+K"	38.963158
"312691"	1068.530617	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+H+K"	39.970434
"706206"	1592.803317	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+H+K"	39.970434
"1457470"	544.257917	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H+K"	39.970434
"246067"	2139.124626	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+ACN+H"	42.033826
"1222060"	1090.579226	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+ACN+H"	42.033826
"1205944"	545.793251	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+ACN+2H"	43.041102
"199909"	2142.06196	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+2Na-H"	44.97116
"633272"	3190.60736	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+2Na-H"	44.97116
"1140787"	1093.51656	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2Na-H"	44.97116
"179703"	1071.534618	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+2Na"	45.978436
"617436"	1595.807318	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+2Na"	45.978436
"1124957"	547.261918	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2Na"	45.978436
"1412132"	365.177037333333	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H+2Na"	46.985712
"1438414"	1095.558146	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H+HCOOH"	47.012746
"231391"	1076.56764	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+3H2O+2H"	56.04448
"1517266"	1109.61019	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+IsoProp+H"	61.06479
"415130"	1079.521588	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+Na+K"	61.952376
"771750"	1603.794288	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+Na+K"	61.952376
"1665646"	555.248888	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Na+K"	61.952376
"251845"	2161.106568	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+ACN+Na"	64.015768
"1226945"	1112.561168	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+ACN+Na"	64.015768
"1713035"	1112.584693	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+NH4+HCOOH"	64.039293
"1183740"	372.504351333333	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+3Na"	68.967654
"1653632"	1117.540088	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Na+HCOOH"	68.994688
"157453"	2174.00984	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+2K-H"	76.91904
"605163"	3222.55524	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+2K-H"	76.91904
"1088580"	1125.46444	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2K-H"	76.91904
"147585"	1087.508558	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"2M+2K"	77.926316
"584961"	1611.781258	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"3M+2K"	77.926316
"1076035"	563.235858	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2K"	77.926316
"1109246"	1127.478992	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2K+H"	78.933592
"1348913"	1127.566607	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+DMSO+H"	79.021207
"1018539"	1131.605776	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2ACN+H"	83.060376
"1536664"	1132.599408	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+IsoProp+Na+H"	84.054008
"1004201"	566.306526	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+2ACN+2H"	84.067652
"1600891"	1133.514028	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+K+HCOOH"	84.968628
"1425463"	1163.545538	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+H+CF3COOH"	115.000138
"1159031"	586.819801	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+3ACN+2H"	125.094202
"1710768"	1180.572085	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+NH4+CF3COOH"	132.026685
"1649339"	1185.52748	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+Na+CF3COOH"	136.98208
"1585349"	1201.50142	"C08917"	"Trigonelloside C;Asparasaponin I"	"C51H84O22"	"1048.5454"	"M+K+CF3COOH"	152.95602
"809155"	414.3134	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M"	0
"980500"	395.29501	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-H2O-H"	-19.01839
"65459"	275.201657333333	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M-3H"	-3.021828
"505019"	413.306124	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M-3H"	-3.021828
"880874"	137.097190666667	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-3H"	-3.021828
"90"	413.306124	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M-2H"	-2.014552
"440015"	620.462824	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M-2H"	-2.014552
"817538"	206.149424	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-2H"	-2.014552
"78569"	827.619524	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M-H"	-1.007276
"518670"	1241.932924	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M-H"	-1.007276
"898666"	413.306124	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-H"	-1.007276
"55963"	844.646071	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M-2H+NH4"	16.019271
"494428"	1258.959471	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M-2H+NH4"	16.019271
"866032"	430.332671	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-2H+NH4"	16.019271
"35756"	849.601466	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M-2H+Na"	20.974666
"486465"	1263.914866	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M-2H+Na"	20.974666
"857495"	435.288066	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-2H+Na"	20.974666
"1633114"	435.288066	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Na-2H"	20.974666
"108912"	431.294463	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M-H+Cl"	33.962126
"549202"	638.451163	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M-H+Cl"	33.962126
"938828"	224.137763	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-H+Cl"	33.962126
"281395"	863.596202	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+Cl"	34.969402
"673816"	1277.909602	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+Cl"	34.969402
"1287559"	449.282802	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Cl"	34.969402
"23671"	865.575406	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M-2H+K"	36.948606
"463234"	1279.888806	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M-2H+K"	36.948606
"841039"	451.262006	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-2H+K"	36.948606
"1563436"	451.262006	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+K-2H"	36.948606
"946943"	459.311594	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-H+HCOOH"	44.998194
"367346"	873.625001	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+HCOOH-H"	44.998201
"346853"	887.640651	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+Hac-H"	59.013851
"1498968"	473.327251	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Hac-H"	59.013851
"973438"	481.293551	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-H+NaCOOH"	66.980151
"119791"	449.282802	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+2Cl"	69.938804
"564585"	656.439502	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+2Cl"	69.938804
"1035086"	242.126102	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2Cl"	69.938804
"1255028"	493.232285	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Br"	78.918885
"1317840"	495.288272	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Cl+HCOOH"	80.974872
"1333146"	517.270229	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Cl+NaCOOH"	102.956829
"925296"	527.298986	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M-H+CF3COOH"	112.985586
"1297632"	563.275664	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Cl+CF3COOH"	148.962264
"1377983"	379.300724	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H-2H2O"	-35.012676
"1393292"	397.3107	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H-H2O"	-17.0027
"298207"	829.634076	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+H"	1.007276
"690502"	1243.947476	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+H"	1.007276
"1362843"	415.320676	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H"	1.007276
"139014"	415.320676	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+2H"	2.014552
"579669"	622.477376	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+2H"	2.014552
"1050300"	208.163976	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2H"	2.014552
"217468"	277.216209333333	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+3H"	3.021828
"657756"	415.320676	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+3H"	3.021828
"1169684"	139.111742666667	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+3H"	3.021828
"434048"	846.660623	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+NH4"	18.033823
"797229"	1260.974023	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+NH4"	18.033823
"1694652"	432.347223	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+NH4"	18.033823
"342932"	423.8339495	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+H+NH4"	19.041099
"735353"	630.9906495	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+H+NH4"	19.041099
"1488080"	216.6772495	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H+NH4"	19.041099
"400199"	851.616018	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+Na"	22.989218
"762289"	1265.929418	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+Na"	22.989218
"1613664"	437.302618	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Na"	22.989218
"319325"	426.311647	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+H+Na"	23.996494
"718307"	633.468347	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+H+Na"	23.996494
"1469939"	219.154947	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H+Na"	23.996494
"1055532"	146.439056666667	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2H+Na"	25.00377
"1260860"	447.346886	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+CH3OH+H"	33.033486
"382353"	867.589958	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+K"	38.963158
"745534"	1281.903358	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+K"	38.963158
"1542118"	453.276558	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+K"	38.963158
"310616"	434.298617	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+H+K"	39.970434
"701214"	641.455317	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+H+K"	39.970434
"1457216"	227.141917	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H+K"	39.970434
"243992"	870.660626	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+ACN+H"	42.033826
"1219983"	456.347226	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+ACN+H"	42.033826
"1206055"	228.677251	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+ACN+2H"	43.041102
"202332"	873.59796	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+2Na-H"	44.97116
"637391"	1287.91136	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+2Na-H"	44.97116
"1140898"	459.28456	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2Na-H"	44.97116
"179813"	437.302618	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+2Na"	45.978436
"618640"	644.459318	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+2Na"	45.978436
"1123974"	230.145918	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2Na"	45.978436
"1409689"	153.766370666667	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H+2Na"	46.985712
"1440711"	461.326146	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H+HCOOH"	47.012746
"225304"	442.33564	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+3H2O+2H"	56.04448
"1517376"	475.37819	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+IsoProp+H"	61.06479
"415969"	445.289588	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+Na+K"	61.952376
"774412"	652.446288	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+Na+K"	61.952376
"1668191"	238.132888	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Na+K"	61.952376
"253981"	892.642568	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+ACN+Na"	64.015768
"1225836"	478.329168	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+ACN+Na"	64.015768
"1713509"	478.352693	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+NH4+HCOOH"	64.039293
"1182756"	161.093684666667	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+3Na"	68.967654
"1652648"	483.308088	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Na+HCOOH"	68.994688
"158051"	905.54584	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+2K-H"	76.91904
"600164"	1319.85924	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+2K-H"	76.91904
"1086867"	491.23244	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2K-H"	76.91904
"149882"	453.276558	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"2M+2K"	77.926316
"590538"	660.433258	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"3M+2K"	77.926316
"1075052"	246.119858	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2K"	77.926316
"1111543"	493.246992	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2K+H"	78.933592
"1346837"	493.334607	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+DMSO+H"	79.021207
"1019741"	497.373776	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2ACN+H"	83.060376
"1538110"	498.367408	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+IsoProp+Na+H"	84.054008
"1002125"	249.190526	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+2ACN+2H"	84.067652
"1601002"	499.282028	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+K+HCOOH"	84.968628
"1423386"	529.313538	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+H+CF3COOH"	115.000138
"1158048"	269.703801	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+3ACN+2H"	125.094202
"1709785"	546.340085	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+NH4+CF3COOH"	132.026685
"1649083"	551.29548	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+Na+CF3COOH"	136.98208
"1585459"	567.26942	"C08918"	"Yamogenin"	"C27H42O3"	"414.3134"	"M+K+CF3COOH"	152.95602
"805985"	722.4241	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M"	0
"979517"	703.40571	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-H2O-H"	-19.01839
"64476"	480.608790666667	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M-3H"	-3.021828
"504036"	721.416824	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M-3H"	-3.021828
"881105"	239.800757333333	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-3H"	-3.021828
"1137"	721.416824	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M-2H"	-2.014552
"440938"	1082.628874	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M-2H"	-2.014552
"818132"	360.204774	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-2H"	-2.014552
"79945"	1443.840924	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M-H"	-1.007276
"519382"	2166.265024	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M-H"	-1.007276
"896953"	721.416824	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-H"	-1.007276
"52790"	1460.867471	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M-2H+NH4"	16.019271
"491258"	2183.291571	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M-2H+NH4"	16.019271
"866142"	738.443371	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-2H+NH4"	16.019271
"34043"	1465.822866	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M-2H+Na"	20.974666
"486611"	2188.246966	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M-2H+Na"	20.974666
"855418"	743.398766	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-2H+Na"	20.974666
"1633829"	743.398766	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Na-2H"	20.974666
"109795"	739.405163	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M-H+Cl"	33.962126
"544325"	1100.617213	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M-H+Cl"	33.962126
"941125"	378.193113	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-H+Cl"	33.962126
"281869"	1479.817602	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+Cl"	34.969402
"673075"	2202.241702	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+Cl"	34.969402
"1287909"	757.393502	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Cl"	34.969402
"23781"	1481.796806	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M-2H+K"	36.948606
"462251"	2204.220906	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M-2H+K"	36.948606
"841149"	759.372706	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-2H+K"	36.948606
"1563545"	759.372706	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+K-2H"	36.948606
"947053"	767.422294	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-H+HCOOH"	44.998194
"367456"	1489.846401	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+HCOOH-H"	44.998201
"345905"	1503.862051	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+Hac-H"	59.013851
"1497985"	781.437951	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Hac-H"	59.013851
"972089"	789.404251	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-H+NaCOOH"	66.980151
"118808"	757.393502	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+2Cl"	69.938804
"562747"	1118.605552	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+2Cl"	69.938804
"1033733"	396.181452	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2Cl"	69.938804
"1251124"	801.342985	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Br"	78.918885
"1319407"	803.398972	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Cl+HCOOH"	80.974872
"1331069"	825.380929	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Cl+NaCOOH"	102.956829
"923219"	835.409686	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M-H+CF3COOH"	112.985586
"1296649"	871.386364	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Cl+CF3COOH"	148.962264
"1375906"	687.411424	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H-2H2O"	-35.012676
"1395589"	705.4214	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H-H2O"	-17.0027
"296370"	1445.855476	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+H"	1.007276
"689519"	2168.279576	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+H"	1.007276
"1364047"	723.431376	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H"	1.007276
"132564"	723.431376	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+2H"	2.014552
"579415"	1084.643426	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+2H"	2.014552
"1050776"	362.219326	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2H"	2.014552
"213203"	482.623342666667	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+3H"	3.021828
"658230"	723.431376	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+3H"	3.021828
"1174167"	241.815309333333	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+3H"	3.021828
"433429"	1462.882023	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+NH4"	18.033823
"796245"	2185.306123	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+NH4"	18.033823
"1692575"	740.457923	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+NH4"	18.033823
"341948"	731.9446495	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+H+NH4"	19.041099
"734371"	1093.1566995	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+H+NH4"	19.041099
"1486004"	370.7325995	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H+NH4"	19.041099
"400311"	1467.837418	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+Na"	22.989218
"761305"	2190.261518	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+Na"	22.989218
"1610497"	745.413318	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Na"	22.989218
"319435"	734.422347	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+H+Na"	23.996494
"715137"	1095.634397	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+H+Na"	23.996494
"1471144"	373.210297	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H+Na"	23.996494
"1053941"	249.142623333333	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2H+Na"	25.00377
"1259148"	755.457586	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+CH3OH+H"	33.033486
"382462"	1483.811358	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+K"	38.963158
"741270"	2206.235458	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+K"	38.963158
"1546603"	761.387258	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+K"	38.963158
"304873"	742.409317	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+H+K"	39.970434
"703147"	1103.621367	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+H+K"	39.970434
"1457690"	381.197267	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H+K"	39.970434
"245195"	1486.882026	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+ACN+H"	42.033826
"1218999"	764.457926	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+ACN+H"	42.033826
"1208352"	382.732601	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+ACN+2H"	43.041102
"202808"	1489.81936	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+2Na-H"	44.97116
"637501"	2212.24346	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+2Na-H"	44.97116
"1142101"	767.39526	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2Na-H"	44.97116
"181016"	745.413318	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+2Na"	45.978436
"616563"	1106.625368	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+2Na"	45.978436
"1124084"	384.201268	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2Na"	45.978436
"1408705"	256.469937333333	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H+2Na"	46.985712
"1439727"	769.436846	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H+HCOOH"	47.012746
"225051"	750.44634	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+3H2O+2H"	56.04448
"1519673"	783.48889	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+IsoProp+H"	61.06479
"416079"	753.400288	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+Na+K"	61.952376
"774886"	1114.612338	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+Na+K"	61.952376
"1669030"	392.188238	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Na+K"	61.952376
"253727"	1508.863968	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+ACN+Na"	64.015768
"1226433"	786.439868	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+ACN+Na"	64.015768
"1713253"	786.463393	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+NH4+HCOOH"	64.039293
"1182866"	263.797251333333	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+3Na"	68.967654
"1650326"	791.418788	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Na+HCOOH"	68.994688
"158161"	1521.76724	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+2K-H"	76.91904
"597722"	2244.19134	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+2K-H"	76.91904
"1087706"	799.34314	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2K-H"	76.91904
"148898"	761.387258	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"2M+2K"	77.926316
"587367"	1122.599308	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"3M+2K"	77.926316
"1077349"	400.175208	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2K"	77.926316
"1111653"	801.357692	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2K+H"	78.933592
"1349012"	801.445307	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+DMSO+H"	79.021207
"1019851"	805.484476	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2ACN+H"	83.060376
"1539678"	806.478108	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+IsoProp+Na+H"	84.054008
"1002235"	403.245876	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+2ACN+2H"	84.067652
"1601110"	807.392728	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+K+HCOOH"	84.968628
"1423496"	837.424238	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+H+CF3COOH"	115.000138
"1157064"	423.759151	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+3ACN+2H"	125.094202
"1708801"	854.450785	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+NH4+CF3COOH"	132.026685
"1648829"	859.40618	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+Na+CF3COOH"	136.98208
"1585569"	875.38012	"C08919"	"Yamogenin 3-O-neohesperidoside"	"C39H62O12"	"722.4241"	"M+K+CF3COOH"	152.95602
"809375"	646.3717	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M"	0
"979627"	627.35331	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-H2O-H"	-19.01839
"66774"	429.907190666667	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M-3H"	-3.021828
"504147"	645.364424	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M-3H"	-3.021828
"881336"	214.449957333333	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-3H"	-3.021828
"1369"	645.364424	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M-2H"	-2.014552
"441534"	968.550274	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M-2H"	-2.014552
"818609"	322.178574	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-2H"	-2.014552
"79692"	1291.736124	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M-H"	-1.007276
"518727"	1938.107824	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M-H"	-1.007276
"897305"	645.364424	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-H"	-1.007276
"51807"	1308.762671	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M-2H+NH4"	16.019271
"489302"	1955.134371	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M-2H+NH4"	16.019271
"866982"	662.390971	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-2H+NH4"	16.019271
"32082"	1313.718066	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M-2H+Na"	20.974666
"483194"	1960.089766	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M-2H+Na"	20.974666
"857715"	667.346366	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-2H+Na"	20.974666
"1634134"	667.346366	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Na-2H"	20.974666
"109989"	663.352763	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M-H+Cl"	33.962126
"549500"	986.538613	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M-H+Cl"	33.962126
"939049"	340.166913	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-H+Cl"	33.962126
"280886"	1327.712802	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+Cl"	34.969402
"673307"	1974.084502	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+Cl"	34.969402
"1287696"	681.341102	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Cl"	34.969402
"23892"	1329.692006	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M-2H+K"	36.948606
"461268"	1976.063706	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M-2H+K"	36.948606
"840166"	683.320306	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-2H+K"	36.948606
"1563655"	683.320306	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+K-2H"	36.948606
"950443"	691.369894	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-H+HCOOH"	44.998194
"368659"	1337.741601	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+HCOOH-H"	44.998201
"346461"	1351.757251	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+Hac-H"	59.013851
"1500281"	705.385551	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Hac-H"	59.013851
"972929"	713.351851	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-H+NaCOOH"	66.980151
"121104"	681.341102	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+2Cl"	69.938804
"565251"	1004.526952	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+2Cl"	69.938804
"1036032"	358.155252	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2Cl"	69.938804
"1256895"	725.290585	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Br"	78.918885
"1315867"	727.346572	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Cl+HCOOH"	80.974872
"1335433"	749.328529	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Cl+NaCOOH"	102.956829
"923329"	759.357286	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M-H+CF3COOH"	112.985586
"1297852"	795.333964	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Cl+CF3COOH"	148.962264
"1380385"	611.359024	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H-2H2O"	-35.012676
"1396792"	629.369	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H-H2O"	-17.0027
"297208"	1293.750676	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+H"	1.007276
"689994"	1940.122376	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+H"	1.007276
"1365979"	647.378976	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H"	1.007276
"135954"	647.378976	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+2H"	2.014552
"576609"	970.564826	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+2H"	2.014552
"1051494"	324.193126	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2H"	2.014552
"218417"	431.921742666667	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+3H"	3.021828
"659071"	647.378976	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+3H"	3.021828
"1174278"	216.464509333333	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+3H"	3.021828
"436091"	1310.777223	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+NH4"	18.033823
"796357"	1957.148923	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+NH4"	18.033823
"1690498"	664.405523	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+NH4"	18.033823
"339871"	655.8922495	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+H+NH4"	19.041099
"735573"	979.0780995	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+H+NH4"	19.041099
"1489394"	332.7063995	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H+NH4"	19.041099
"399326"	1315.732618	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+Na"	22.989218
"761414"	1962.104318	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+Na"	22.989218
"1612791"	669.360918	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Na"	22.989218
"320639"	658.369947	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+H+Na"	23.996494
"717434"	981.555797	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+H+Na"	23.996494
"1472348"	335.184097	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H+Na"	23.996494
"1055753"	223.791823333333	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2H+Na"	25.00377
"1259623"	679.405186	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+CH3OH+H"	33.033486
"380386"	1331.706558	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+K"	38.963158
"741381"	1978.078258	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+K"	38.963158
"1544527"	685.334858	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+K"	38.963158
"303890"	666.356917	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+H+K"	39.970434
"705439"	989.542767	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+H+K"	39.970434
"1456704"	343.171067	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H+K"	39.970434
"243116"	1334.777226	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+ACN+H"	42.033826
"1220202"	688.405526	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+ACN+H"	42.033826
"1200807"	344.706401	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+ACN+2H"	43.041102
"203519"	1337.71456	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+2Na-H"	44.97116
"637611"	1984.08626	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+2Na-H"	44.97116
"1138929"	691.34286	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2Na-H"	44.97116
"181126"	669.360918	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+2Na"	45.978436
"615217"	992.546768	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+2Na"	45.978436
"1124194"	346.175068	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2Na"	45.978436
"1409906"	231.119137333333	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H+2Na"	46.985712
"1438743"	693.384446	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H+HCOOH"	47.012746
"228441"	674.39394	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+3H2O+2H"	56.04448
"1520877"	707.43649	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+IsoProp+H"	61.06479
"418376"	677.347888	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+Na+K"	61.952376
"776091"	1000.533738	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+Na+K"	61.952376
"1673515"	354.162038	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Na+K"	61.952376
"254567"	1356.759168	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+ACN+Na"	64.015768
"1226909"	710.387468	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+ACN+Na"	64.015768
"1713729"	710.410993	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+NH4+HCOOH"	64.039293
"1183341"	238.446451333333	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+3Na"	68.967654
"1650679"	715.366388	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Na+HCOOH"	68.994688
"158271"	1369.66244	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+2K-H"	76.91904
"597952"	2016.03414	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+2K-H"	76.91904
"1091096"	723.29074	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2K-H"	76.91904
"152288"	685.334858	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"2M+2K"	77.926316
"589664"	1008.520708	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"3M+2K"	77.926316
"1078552"	362.149008	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2K"	77.926316
"1110670"	725.305292	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2K+H"	78.933592
"1349244"	725.392907	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+DMSO+H"	79.021207
"1020692"	729.432076	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2ACN+H"	83.060376
"1539306"	730.425708	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+IsoProp+Na+H"	84.054008
"1004289"	365.219676	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+2ACN+2H"	84.067652
"1597940"	731.340328	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+K+HCOOH"	84.968628
"1423606"	761.371838	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+H+CF3COOH"	115.000138
"1161548"	385.732951	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+3ACN+2H"	125.094202
"1710734"	778.398385	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+NH4+CF3COOH"	132.026685
"1649303"	783.35378	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+Na+CF3COOH"	136.98208
"1585679"	799.32772	"C08920"	"Abrusoside A"	"C36H54O10"	"646.3717"	"M+K+CF3COOH"	152.95602
"808392"	1130.5509	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M"	0
"976821"	1111.53251	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-H2O-H"	-19.01839
"64697"	752.693324	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M-3H"	-3.021828
"503887"	1129.543624	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M-3H"	-3.021828
"881689"	375.843024	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-3H"	-3.021828
"2448"	1129.543624	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M-2H"	-2.014552
"440311"	1694.819074	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M-2H"	-2.014552
"818351"	564.268174	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-2H"	-2.014552
"78991"	2260.094524	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M-H"	-1.007276
"518673"	3390.645424	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M-H"	-1.007276
"897902"	1129.543624	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-H"	-1.007276
"53010"	2277.121071	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M-2H+NH4"	16.019271
"487952"	3407.671971	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M-2H+NH4"	16.019271
"866362"	1146.570171	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-2H+NH4"	16.019271
"31831"	2282.076466	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M-2H+Na"	20.974666
"483304"	3412.627366	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M-2H+Na"	20.974666
"857825"	1151.525566	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-2H+Na"	20.974666
"1633317"	1151.525566	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Na-2H"	20.974666
"109925"	1147.531963	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M-H+Cl"	33.962126
"549691"	1712.807413	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M-H+Cl"	33.962126
"935876"	582.256513	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-H+Cl"	33.962126
"273340"	2296.071202	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+Cl"	34.969402
"673415"	3426.622102	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+Cl"	34.969402
"1287520"	1165.520302	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Cl"	34.969402
"26189"	2298.050406	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M-2H+K"	36.948606
"464657"	3428.601306	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M-2H+K"	36.948606
"846835"	1167.499506	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-2H+K"	36.948606
"1567042"	1167.499506	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+K-2H"	36.948606
"949459"	1175.549094	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-H+HCOOH"	44.998194
"369862"	2306.100001	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+HCOOH-H"	44.998201
"351557"	2320.115651	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+Hac-H"	59.013851
"1500391"	1189.564751	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Hac-H"	59.013851
"973161"	1197.531051	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-H+NaCOOH"	66.980151
"121214"	1165.520302	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+2Cl"	69.938804
"561870"	1730.795752	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+2Cl"	69.938804
"1031762"	600.244852	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2Cl"	69.938804
"1250246"	1209.469785	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Br"	78.918885
"1311600"	1211.525772	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Cl+HCOOH"	80.974872
"1325818"	1233.507729	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Cl+NaCOOH"	102.956829
"920157"	1243.536486	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M-H+CF3COOH"	112.985586
"1294679"	1279.513164	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Cl+CF3COOH"	148.962264
"1379402"	1095.538224	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H-2H2O"	-35.012676
"1394716"	1113.5482	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H-H2O"	-17.0027
"293309"	2262.109076	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+H"	1.007276
"685729"	3392.659976	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+H"	1.007276
"1365360"	1131.558176	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H"	1.007276
"137157"	1131.558176	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+2H"	2.014552
"576716"	1696.833626	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+2H"	2.014552
"1050989"	566.282726	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2H"	2.014552
"216701"	754.707876	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+3H"	3.021828
"657354"	1131.558176	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+3H"	3.021828
"1175482"	377.857576	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+3H"	3.021828
"434379"	2279.135623	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+NH4"	18.033823
"794280"	3409.686523	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+NH4"	18.033823
"1687328"	1148.584723	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+NH4"	18.033823
"337794"	1140.0714495	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+H+NH4"	19.041099
"732401"	1705.3468995	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+H+NH4"	19.041099
"1486220"	574.7959995	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H+NH4"	19.041099
"403808"	2284.091018	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+Na"	22.989218
"766990"	3414.641918	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+Na"	22.989218
"1616180"	1153.540118	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Na"	22.989218
"322935"	1142.549147	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+H+Na"	23.996494
"719731"	1707.824597	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+H+Na"	23.996494
"1471365"	577.273697	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H+Na"	23.996494
"1059142"	385.18489	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2H+Na"	25.00377
"1258272"	1163.584386	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+CH3OH+H"	33.033486
"378671"	2300.064958	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+K"	38.963158
"738935"	3430.615858	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+K"	38.963158
"1540136"	1169.514058	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+K"	38.963158
"305094"	1150.536117	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+H+K"	39.970434
"694238"	1715.811567	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+H+K"	39.970434
"1456813"	585.260667	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H+K"	39.970434
"243226"	2303.135626	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+ACN+H"	42.033826
"1219218"	1172.584726	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+ACN+H"	42.033826
"1200917"	586.796001	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+ACN+2H"	43.041102
"197068"	2306.07296	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+2Na-H"	44.97116
"636628"	3436.62386	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+2Na-H"	44.97116
"1137945"	1175.52206	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2Na-H"	44.97116
"180507"	1153.540118	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+2Na"	45.978436
"616784"	1718.815568	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+2Na"	45.978436
"1118834"	588.264668	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2Na"	45.978436
"1405276"	392.512204	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H+2Na"	46.985712
"1438853"	1177.563646	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H+HCOOH"	47.012746
"230738"	1158.57314	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+3H2O+2H"	56.04448
"1522080"	1191.61569	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+IsoProp+H"	61.06479
"420673"	1161.527088	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+Na+K"	61.952376
"775106"	1726.802538	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+Na+K"	61.952376
"1672896"	596.251638	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Na+K"	61.952376
"256863"	2325.117568	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+ACN+Na"	64.015768
"1228841"	1194.566668	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+ACN+Na"	64.015768
"1715177"	1194.590193	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+NH4+HCOOH"	64.039293
"1182722"	399.839518	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+3Na"	68.967654
"1650304"	1199.545588	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Na+HCOOH"	68.994688
"158381"	2338.02084	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+2K-H"	76.91904
"599644"	3468.57174	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+2K-H"	76.91904
"1091206"	1207.46994	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2K-H"	76.91904
"151305"	1169.514058	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"2M+2K"	77.926316
"591961"	1734.789508	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"3M+2K"	77.926316
"1078662"	604.238608	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2K"	77.926316
"1110780"	1209.484492	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2K+H"	78.933592
"1349962"	1209.572107	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+DMSO+H"	79.021207
"1021133"	1213.611276	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2ACN+H"	83.060376
"1538924"	1214.604908	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+IsoProp+Na+H"	84.054008
"1004278"	607.309276	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+2ACN+2H"	84.067652
"1598050"	1215.519528	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+K+HCOOH"	84.968628
"1421529"	1245.551038	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+H+CF3COOH"	115.000138
"1157284"	627.822551	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+3ACN+2H"	125.094202
"1711208"	1262.577585	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+NH4+CF3COOH"	132.026685
"1648927"	1267.53298	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+Na+CF3COOH"	136.98208
"1585789"	1283.50692	"C08921"	"Aescin;Escin"	"C55H86O24"	"1130.5509"	"M+K+CF3COOH"	152.95602
"806315"	659.4397	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M"	0
"979847"	640.42131	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-H2O-H"	-19.01839
"64077"	438.619190666667	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M-3H"	-3.021828
"503635"	658.432424	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M-3H"	-3.021828
"880463"	218.805957333333	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-3H"	-3.021828
"370"	658.432424	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M-2H"	-2.014552
"440070"	988.152274	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M-2H"	-2.014552
"817530"	328.712574	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-2H"	-2.014552
"78972"	1317.872124	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M-H"	-1.007276
"518560"	1977.311824	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M-H"	-1.007276
"895860"	658.432424	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-H"	-1.007276
"53120"	1334.898671	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M-2H+NH4"	16.019271
"488672"	1994.338371	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M-2H+NH4"	16.019271
"865136"	675.458971	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-2H+NH4"	16.019271
"31858"	1339.854066	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M-2H+Na"	20.974666
"473570"	1999.293766	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M-2H+Na"	20.974666
"848976"	680.414366	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-2H+Na"	20.974666
"1632941"	680.414366	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Na-2H"	20.974666
"108374"	676.420763	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M-H+Cl"	33.962126
"548423"	1006.140613	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M-H+Cl"	33.962126
"935986"	346.700913	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-H+Cl"	33.962126
"273450"	1353.848802	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+Cl"	34.969402
"672432"	2013.288502	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+Cl"	34.969402
"1285928"	694.409102	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Cl"	34.969402
"23019"	1355.828006	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M-2H+K"	36.948606
"461487"	2015.267706	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M-2H+K"	36.948606
"846945"	696.388306	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-2H+K"	36.948606
"1566060"	696.388306	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+K-2H"	36.948606
"949569"	704.437894	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-H+HCOOH"	44.998194
"369972"	1363.877601	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+HCOOH-H"	44.998201
"348387"	1377.893251	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+Hac-H"	59.013851
"1500501"	718.453551	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Hac-H"	59.013851
"972057"	726.419851	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-H+NaCOOH"	66.980151
"119137"	694.409102	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+2Cl"	69.938804
"561980"	1024.128952	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+2Cl"	69.938804
"1031872"	364.689252	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2Cl"	69.938804
"1250356"	738.358585	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Br"	78.918885
"1308430"	740.414572	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Cl+HCOOH"	80.974872
"1324835"	762.396529	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Cl+NaCOOH"	102.956829
"919174"	772.425286	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M-H+CF3COOH"	112.985586
"1291507"	808.401964	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Cl+CF3COOH"	148.962264
"1376232"	624.427024	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H-2H2O"	-35.012676
"1387171"	642.437	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H-H2O"	-17.0027
"291232"	1319.886676	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+H"	1.007276
"684746"	1979.326376	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+H"	1.007276
"1364012"	660.446976	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H"	1.007276
"136174"	660.446976	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+2H"	2.014552
"572453"	990.166826	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+2H"	2.014552
"1050735"	330.727126	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2H"	2.014552
"216811"	440.633742666667	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+3H"	3.021828
"657464"	660.446976	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+3H"	3.021828
"1171215"	220.820509333333	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+3H"	3.021828
"435582"	1336.913223	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+NH4"	18.033823
"795483"	1996.352923	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+NH4"	18.033823
"1687439"	677.473523	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+NH4"	18.033823
"336811"	668.9602495	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+H+NH4"	19.041099
"730325"	998.6800995	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+H+NH4"	19.041099
"1481956"	339.2403995	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H+NH4"	19.041099
"401730"	1341.868618	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+Na"	22.989218
"764913"	2001.308318	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+Na"	22.989218
"1614103"	682.428918	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Na"	22.989218
"319765"	671.437947	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+H+Na"	23.996494
"715468"	1001.157797	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+H+Na"	23.996494
"1471475"	341.718097	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H+Na"	23.996494
"1054879"	228.147823333333	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2H+Na"	25.00377
"1258383"	692.473186	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+CH3OH+H"	33.033486
"377359"	1357.842558	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+K"	38.963158
"738597"	2017.282258	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+K"	38.963158
"1539959"	698.402858	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+K"	38.963158
"303018"	679.424917	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+H+K"	39.970434
"692282"	1009.144767	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+H+K"	39.970434
"1454738"	349.705067	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H+K"	39.970434
"243336"	1360.913226	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+ACN+H"	42.033826
"1219329"	701.473526	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+ACN+H"	42.033826
"1199202"	351.240401	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+ACN+2H"	43.041102
"199365"	1363.85056	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+2Na-H"	44.97116
"637831"	2023.29026	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+2Na-H"	44.97116
"1139148"	704.41086	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2Na-H"	44.97116
"179524"	682.428918	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+2Na"	45.978436
"616530"	1012.148768	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+2Na"	45.978436
"1118944"	352.709068	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2Na"	45.978436
"1405751"	235.475137333333	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H+2Na"	46.985712
"1441150"	706.452446	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H+HCOOH"	47.012746
"229754"	687.46194	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+3H2O+2H"	56.04448
"1520003"	720.50449	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+IsoProp+H"	61.06479
"417502"	690.415888	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+Na+K"	61.952376
"775217"	1020.135738	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+Na+K"	61.952376
"1668266"	360.696038	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Na+K"	61.952376
"253690"	1382.895168	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+ACN+Na"	64.015768
"1226764"	723.455468	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+ACN+Na"	64.015768
"1713095"	723.478993	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+NH4+HCOOH"	64.039293
"1182104"	242.802451333333	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+3Na"	68.967654
"1650535"	728.434388	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Na+HCOOH"	68.994688
"157519"	1395.79844	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+2K-H"	76.91904
"599754"	2055.23814	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+2K-H"	76.91904
"1092409"	736.35874	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2K-H"	76.91904
"148135"	698.402858	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"2M+2K"	77.926316
"592071"	1028.122708	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"3M+2K"	77.926316
"1079866"	368.683008	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2K"	77.926316
"1110890"	738.373292	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2K+H"	78.933592
"1350803"	738.460907	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+DMSO+H"	79.021207
"1021115"	742.500076	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2ACN+H"	83.060376
"1539279"	743.493708	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+IsoProp+Na+H"	84.054008
"1004267"	371.753676	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+2ACN+2H"	84.067652
"1598160"	744.408328	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+K+HCOOH"	84.968628
"1421639"	774.439838	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+H+CF3COOH"	115.000138
"1158486"	392.266951	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+3ACN+2H"	125.094202
"1711318"	791.466385	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+NH4+CF3COOH"	132.026685
"1648065"	796.42178	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+Na+CF3COOH"	136.98208
"1585899"	812.39572	"C08922"	"Aridanin"	"C38H61NO8"	"659.4397"	"M+K+CF3COOH"	152.95602
"809705"	942.5188	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M"	0
"977770"	923.50041	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-H2O-H"	-19.01839
"65644"	627.338590666667	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M-3H"	-3.021828
"504838"	941.511524	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M-3H"	-3.021828
"881908"	313.165657333333	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-3H"	-3.021828
"2305"	941.511524	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M-2H"	-2.014552
"440533"	1412.770924	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M-2H"	-2.014552
"818329"	470.252124	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-2H"	-2.014552
"79169"	1884.030324	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M-H"	-1.007276
"518978"	2826.549124	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M-H"	-1.007276
"896298"	941.511524	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-H"	-1.007276
"53229"	1901.056871	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M-2H+NH4"	16.019271
"492061"	2843.575671	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M-2H+NH4"	16.019271
"867675"	958.538071	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-2H+NH4"	16.019271
"32295"	1906.012266	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M-2H+Na"	20.974666
"475137"	2848.531066	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M-2H+Na"	20.974666
"849168"	963.493466	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-2H+Na"	20.974666
"1629769"	963.493466	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Na-2H"	20.974666
"104109"	959.499863	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M-H+Cl"	33.962126
"545859"	1430.759263	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M-H+Cl"	33.962126
"937191"	488.240463	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-H+Cl"	33.962126
"276840"	1920.007002	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+Cl"	34.969402
"671448"	2862.525802	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+Cl"	34.969402
"1286647"	977.488202	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Cl"	34.969402
"27502"	1921.986206	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M-2H+K"	36.948606
"469252"	2864.505006	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M-2H+K"	36.948606
"847784"	979.467406	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-2H+K"	36.948606
"1569088"	979.467406	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+K-2H"	36.948606
"951866"	987.516994	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-H+HCOOH"	44.998194
"368989"	1930.035801	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+HCOOH-H"	44.998201
"348497"	1944.051451	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+Hac-H"	59.013851
"1502798"	1001.532651	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Hac-H"	59.013851
"971438"	1009.498951	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-H+NaCOOH"	66.980151
"118154"	977.488202	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+2Cl"	69.938804
"560997"	1448.747602	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+2Cl"	69.938804
"1030889"	506.228802	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2Cl"	69.938804
"1253748"	1021.437685	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Br"	78.918885
"1309632"	1023.493672	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Cl+HCOOH"	80.974872
"1324945"	1045.475629	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Cl+NaCOOH"	102.956829
"920377"	1055.504386	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M-H+CF3COOH"	112.985586
"1294897"	1091.481064	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Cl+CF3COOH"	148.962264
"1370872"	907.506124	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H-2H2O"	-35.012676
"1387281"	925.5161	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H-H2O"	-17.0027
"288061"	1886.044876	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+H"	1.007276
"688136"	2828.563676	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+H"	1.007276
"1364486"	943.526076	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H"	1.007276
"140295"	943.526076	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+2H"	2.014552
"579124"	1414.785476	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+2H"	2.014552
"1050845"	472.266676	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2H"	2.014552
"216921"	629.353142666667	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+3H"	3.021828
"657574"	943.526076	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+3H"	3.021828
"1171325"	315.180209333333	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+3H"	3.021828
"435693"	1903.071423	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+NH4"	18.033823
"793407"	2845.590223	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+NH4"	18.033823
"1686456"	960.552623	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+NH4"	18.033823
"338016"	952.0393495	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+H+NH4"	19.041099
"728249"	1423.2987495	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+H+NH4"	19.041099
"1484254"	480.7799495	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H+NH4"	19.041099
"402935"	1908.026818	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+Na"	22.989218
"765023"	2850.545618	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+Na"	22.989218
"1610933"	965.508018	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Na"	22.989218
"319874"	954.517047	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+H+Na"	23.996494
"712297"	1425.776447	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+H+Na"	23.996494
"1470491"	483.257647	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H+Na"	23.996494
"1058270"	322.507523333333	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2H+Na"	25.00377
"1259224"	975.552286	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+CH3OH+H"	33.033486
"379257"	1924.000758	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+K"	38.963158
"738913"	2866.519558	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+K"	38.963158
"1540720"	981.481958	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+K"	38.963158
"298870"	962.504017	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+H+K"	39.970434
"693364"	1433.763417	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+H+K"	39.970434
"1455577"	491.244617	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H+K"	39.970434
"240166"	1927.071426	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+ACN+H"	42.033826
"1218345"	984.552626	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+ACN+H"	42.033826
"1199312"	492.779951	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+ACN+2H"	43.041102
"199475"	1930.00876	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+2Na-H"	44.97116
"637940"	2872.52756	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+2Na-H"	44.97116
"1140351"	987.48996	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2Na-H"	44.97116
"180363"	965.508018	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+2Na"	45.978436
"616640"	1436.767418	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+2Na"	45.978436
"1119054"	494.248618	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2Na"	45.978436
"1404767"	329.834837333333	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H+2Na"	46.985712
"1439073"	989.531546	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H+HCOOH"	47.012746
"227679"	970.54104	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+3H2O+2H"	56.04448
"1517926"	1003.58359	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+IsoProp+H"	61.06479
"418705"	973.494988	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+Na+K"	61.952376
"775327"	1444.754388	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+Na+K"	61.952376
"1667645"	502.235588	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Na+K"	61.952376
"255987"	1949.053368	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+ACN+Na"	64.015768
"1226056"	1006.534568	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+ACN+Na"	64.015768
"1714296"	1006.558093	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+NH4+HCOOH"	64.039293
"1182215"	337.162151333333	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+3Na"	68.967654
"1650114"	1011.513488	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Na+HCOOH"	68.994688
"157503"	1961.95664	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+2K-H"	76.91904
"598406"	2904.47544	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+2K-H"	76.91904
"1089240"	1019.43784	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2K-H"	76.91904
"146059"	981.481958	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"2M+2K"	77.926316
"593275"	1452.741358	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"3M+2K"	77.926316
"1082894"	510.222558	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2K"	77.926316
"1113674"	1021.452392	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2K+H"	78.933592
"1349575"	1021.540007	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+DMSO+H"	79.021207
"1020048"	1025.579176	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2ACN+H"	83.060376
"1539821"	1026.572808	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+IsoProp+Na+H"	84.054008
"1004985"	513.293226	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+2ACN+2H"	84.067652
"1598270"	1027.487428	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+K+HCOOH"	84.968628
"1420655"	1057.518938	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+H+CF3COOH"	115.000138
"1159689"	533.806501	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+3ACN+2H"	125.094202
"1710333"	1074.545485	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+NH4+CF3COOH"	132.026685
"1648175"	1079.50088	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+Na+CF3COOH"	136.98208
"1586009"	1095.47482	"C08923"	"Arvensoside A"	"C48H78O18"	"942.5188"	"M+K+CF3COOH"	152.95602
"803619"	784.4609	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M"	0
"976787"	765.44251	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-H2O-H"	-19.01839
"64296"	521.966657333333	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M-3H"	-3.021828
"504946"	783.453624	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M-3H"	-3.021828
"881044"	260.479690666667	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-3H"	-3.021828
"1200"	783.453624	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M-2H"	-2.014552
"442708"	1175.684074	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M-2H"	-2.014552
"818441"	391.223174	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-2H"	-2.014552
"79527"	1567.914524	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M-H"	-1.007276
"519697"	2352.375424	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M-H"	-1.007276
"896895"	783.453624	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-H"	-1.007276
"50423"	1584.941071	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M-2H+NH4"	16.019271
"491807"	2369.401971	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M-2H+NH4"	16.019271
"868515"	800.480171	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-2H+NH4"	16.019271
"33255"	1589.896466	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M-2H+Na"	20.974666
"475247"	2374.357366	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M-2H+Na"	20.974666
"849638"	805.435566	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-2H+Na"	20.974666
"1630972"	805.435566	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Na-2H"	20.974666
"105312"	801.441963	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M-H+Cl"	33.962126
"547061"	1193.672413	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M-H+Cl"	33.962126
"937301"	409.211513	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-H+Cl"	33.962126
"275857"	1603.891202	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+Cl"	34.969402
"672652"	2388.352102	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+Cl"	34.969402
"1286999"	819.430302	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Cl"	34.969402
"26518"	1605.870406	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M-2H+K"	36.948606
"468269"	2390.331306	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M-2H+K"	36.948606
"844978"	821.409506	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-2H+K"	36.948606
"1569807"	821.409506	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+K-2H"	36.948606
"953070"	829.459094	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-H+HCOOH"	44.998194
"372380"	1613.920001	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+HCOOH-H"	44.998201
"350795"	1627.935651	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+Hac-H"	59.013851
"1500721"	843.474751	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Hac-H"	59.013851
"971183"	851.441051	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-H+NaCOOH"	66.980151
"118264"	819.430302	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+2Cl"	69.938804
"561838"	1211.660752	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+2Cl"	69.938804
"1030999"	427.199852	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2Cl"	69.938804
"1251671"	863.379785	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Br"	78.918885
"1307556"	865.435772	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Cl+HCOOH"	80.974872
"1325052"	887.417729	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Cl+NaCOOH"	102.956829
"920487"	897.446486	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M-H+CF3COOH"	112.985586
"1297195"	933.423164	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Cl+CF3COOH"	148.962264
"1377543"	749.448224	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H-2H2O"	-35.012676
"1387391"	767.4582	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H-H2O"	-17.0027
"288171"	1569.929076	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+H"	1.007276
"687882"	2354.389976	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+H"	1.007276
"1362409"	785.468176	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H"	1.007276
"137489"	785.468176	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+2H"	2.014552
"577777"	1177.698626	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+2H"	2.014552
"1045848"	393.237726	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2H"	2.014552
"213751"	523.981209333333	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+3H"	3.021828
"655497"	785.468176	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+3H"	3.021828
"1171435"	262.494242666667	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+3H"	3.021828
"435803"	1586.955623	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+NH4"	18.033823
"794609"	2371.416523	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+NH4"	18.033823
"1686566"	802.494723	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+NH4"	18.033823
"339219"	793.9814495	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+H+NH4"	19.041099
"729452"	1186.2118995	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+H+NH4"	19.041099
"1489832"	401.7509995	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H+NH4"	19.041099
"403045"	1591.911018	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+Na"	22.989218
"767320"	2376.371918	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+Na"	22.989218
"1614322"	807.450118	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Na"	22.989218
"324361"	796.459147	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+H+Na"	23.996494
"717875"	1188.689597	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+H+Na"	23.996494
"1471695"	404.228697	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H+Na"	23.996494
"1058379"	269.821556666667	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2H+Na"	25.00377
"1262252"	817.494386	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+CH3OH+H"	33.033486
"378761"	1607.884958	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+K"	38.963158
"741456"	2392.345858	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+K"	38.963158
"1541685"	823.424058	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+K"	38.963158
"301049"	804.446117	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+H+K"	39.970434
"697851"	1196.676567	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+H+K"	39.970434
"1453864"	412.215667	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H+K"	39.970434
"240276"	1610.955626	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+ACN+H"	42.033826
"1217362"	826.494726	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+ACN+H"	42.033826
"1197965"	413.751001	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+ACN+2H"	43.041102
"199585"	1613.89296	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+2Na-H"	44.97116
"635864"	2398.35386	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+2Na-H"	44.97116
"1140461"	829.43206	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2Na-H"	44.97116
"181564"	807.450118	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+2Na"	45.978436
"620030"	1199.680568	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+2Na"	45.978436
"1122444"	415.219668	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2Na"	45.978436
"1405241"	277.148870666667	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H+2Na"	46.985712
"1439183"	831.473646	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H+HCOOH"	47.012746
"227788"	812.48314	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+3H2O+2H"	56.04448
"1513662"	845.52569	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+IsoProp+H"	61.06479
"413717"	815.437088	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+Na+K"	61.952376
"776532"	1207.667538	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+Na+K"	61.952376
"1669578"	423.206638	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Na+K"	61.952376
"258284"	1632.937568	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+ACN+Na"	64.015768
"1226981"	848.476668	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+ACN+Na"	64.015768
"1715502"	848.500193	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+NH4+HCOOH"	64.039293
"1181960"	284.476184666667	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+3Na"	68.967654
"1650509"	853.455588	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Na+HCOOH"	68.994688
"157532"	1645.84084	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+2K-H"	76.91904
"597706"	2430.30174	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+2K-H"	76.91904
"1087162"	861.37994	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2K-H"	76.91904
"141536"	823.424058	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"2M+2K"	77.926316
"591198"	1215.654508	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"3M+2K"	77.926316
"1081910"	431.193608	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2K"	77.926316
"1110016"	863.394492	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2K+H"	78.933592
"1349683"	863.482107	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+DMSO+H"	79.021207
"1018941"	867.521276	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2ACN+H"	83.060376
"1537429"	868.514908	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+IsoProp+Na+H"	84.054008
"1000596"	434.264276	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+2ACN+2H"	84.067652
"1598380"	869.429528	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+K+HCOOH"	84.968628
"1421858"	899.461038	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+H+CF3COOH"	115.000138
"1159799"	454.777551	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+3ACN+2H"	125.094202
"1709350"	916.487585	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+NH4+CF3COOH"	132.026685
"1648285"	921.44298	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+Na+CF3COOH"	136.98208
"1586119"	937.41692	"C08924"	"Astragaloside III"	"C41H68O14"	"784.4609"	"M+K+CF3COOH"	152.95602
"803729"	930.5188	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M"	0
"979083"	911.50041	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-H2O-H"	-19.01839
"64405"	619.338590666667	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M-3H"	-3.021828
"504325"	929.511524	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M-3H"	-3.021828
"880668"	309.165657333333	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-3H"	-3.021828
"2161"	929.511524	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M-2H"	-2.014552
"441725"	1394.770924	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M-2H"	-2.014552
"817578"	464.252124	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-2H"	-2.014552
"80245"	1860.030324	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M-H"	-1.007276
"519443"	2790.549124	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M-H"	-1.007276
"897248"	929.511524	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-H"	-1.007276
"50169"	1877.056871	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M-2H+NH4"	16.019271
"493011"	2807.575671	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M-2H+NH4"	16.019271
"870812"	946.538071	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-2H+NH4"	16.019271
"37619"	1882.012266	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M-2H+Na"	20.974666
"474992"	2812.531066	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M-2H+Na"	20.974666
"849875"	951.493466	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-2H+Na"	20.974666
"1630718"	951.493466	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Na-2H"	20.974666
"105422"	947.499863	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M-H+Cl"	33.962126
"547171"	1412.759263	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M-H+Cl"	33.962126
"938504"	482.240463	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-H+Cl"	33.962126
"279247"	1896.007002	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+Cl"	34.969402
"669482"	2826.525802	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+Cl"	34.969402
"1288081"	965.488202	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Cl"	34.969402
"27721"	1897.986206	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M-2H+K"	36.948606
"470567"	2828.505006	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M-2H+K"	36.948606
"842900"	967.467406	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-2H+K"	36.948606
"1570645"	967.467406	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+K-2H"	36.948606
"957194"	975.516994	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-H+HCOOH"	44.998194
"369208"	1906.035801	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+HCOOH-H"	44.998201
"351998"	1920.051451	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+Hac-H"	59.013851
"1498645"	989.532651	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Hac-H"	59.013851
"971656"	997.498951	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-H+NaCOOH"	66.980151
"118374"	965.488202	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+2Cl"	69.938804
"561218"	1430.747602	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+2Cl"	69.938804
"1028922"	500.228802	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2Cl"	69.938804
"1251781"	1009.437685	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Br"	78.918885
"1308759"	1011.493672	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Cl+HCOOH"	80.974872
"1327349"	1033.475629	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Cl+NaCOOH"	102.956829
"920597"	1043.504386	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M-H+CF3COOH"	112.985586
"1297306"	1079.481064	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Cl+CF3COOH"	148.962264
"1377653"	895.506124	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H-2H2O"	-35.012676
"1387501"	913.5161	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H-H2O"	-17.0027
"288281"	1862.044876	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+H"	1.007276
"687628"	2792.563676	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+H"	1.007276
"1361425"	931.526076	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H"	1.007276
"139788"	931.526076	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+2H"	2.014552
"579345"	1396.785476	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+2H"	2.014552
"1048145"	466.266676	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2H"	2.014552
"218600"	621.353142666667	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+3H"	3.021828
"655607"	931.526076	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+3H"	3.021828
"1171545"	311.180209333333	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+3H"	3.021828
"436643"	1879.071423	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+NH4"	18.033823
"795814"	2809.590223	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+NH4"	18.033823
"1689957"	948.552623	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+NH4"	18.033823
"340422"	940.0393495	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+H+NH4"	19.041099
"728469"	1405.2987495	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+H+NH4"	19.041099
"1491036"	474.7799495	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H+NH4"	19.041099
"405344"	1884.026818	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+Na"	22.989218
"767796"	2814.545618	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+Na"	22.989218
"1614435"	953.508018	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Na"	22.989218
"323378"	942.517047	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+H+Na"	23.996494
"717986"	1407.776447	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+H+Na"	23.996494
"1470712"	477.257647	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H+Na"	23.996494
"1057396"	318.507523333333	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2H+Na"	25.00377
"1262362"	963.552286	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+CH3OH+H"	33.033486
"380935"	1900.000758	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+K"	38.963158
"739864"	2830.519558	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+K"	38.963158
"1541067"	969.481958	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+K"	38.963158
"301159"	950.504017	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+H+K"	39.970434
"695772"	1415.763417	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+H+K"	39.970434
"1450686"	485.244617	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H+K"	39.970434
"240386"	1903.071426	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+ACN+H"	42.033826
"1221481"	972.552626	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+ACN+H"	42.033826
"1200261"	486.779951	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+ACN+2H"	43.041102
"201882"	1906.00876	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+2Na-H"	44.97116
"640346"	2836.52756	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+2Na-H"	44.97116
"1140571"	975.48996	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2Na-H"	44.97116
"179487"	953.508018	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+2Na"	45.978436
"620139"	1418.767418	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+2Na"	45.978436
"1125834"	488.248618	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2Na"	45.978436
"1404986"	325.834837333333	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H+2Na"	46.985712
"1439293"	977.531546	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H+HCOOH"	47.012746
"230084"	958.54104	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+3H2O+2H"	56.04448
"1518146"	991.58359	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+IsoProp+H"	61.06479
"419293"	961.494988	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+Na+K"	61.952376
"781014"	1426.754388	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+Na+K"	61.952376
"1671876"	496.235588	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Na+K"	61.952376
"259487"	1925.053368	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+ACN+Na"	64.015768
"1228914"	994.534568	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+ACN+Na"	64.015768
"1714154"	994.558093	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+NH4+HCOOH"	64.039293
"1186444"	333.162151333333	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+3Na"	68.967654
"1651596"	999.513488	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Na+HCOOH"	68.994688
"158696"	1937.95664	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+2K-H"	76.91904
"598385"	2868.47544	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+2K-H"	76.91904
"1089458"	1007.43784	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2K-H"	76.91904
"142257"	969.481958	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"2M+2K"	77.926316
"591308"	1434.741358	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"3M+2K"	77.926316
"1082993"	504.222558	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2K"	77.926316
"1114745"	1009.452392	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2K+H"	78.933592
"1350284"	1009.540007	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+DMSO+H"	79.021207
"1020637"	1013.579176	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2ACN+H"	83.060376
"1536446"	1014.572808	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+IsoProp+Na+H"	84.054008
"999613"	507.293226	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+2ACN+2H"	84.067652
"1597397"	1015.487428	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+K+HCOOH"	84.968628
"1425249"	1045.518938	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+H+CF3COOH"	115.000138
"1159910"	527.806501	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+3ACN+2H"	125.094202
"1711284"	1062.545485	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+NH4+CF3COOH"	132.026685
"1649865"	1067.50088	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+Na+CF3COOH"	136.98208
"1586229"	1083.47482	"C08925"	"Astrasieversianin XVI"	"C47H78O18"	"930.5188"	"M+K+CF3COOH"	152.95602
"810035"	1093.5458	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M"	0
"977007"	1074.52741	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-H2O-H"	-19.01839
"63423"	728.023257333333	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M-3H"	-3.021828
"503709"	1092.538524	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M-3H"	-3.021828
"880415"	363.507990666667	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-3H"	-3.021828
"2271"	1092.538524	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M-2H"	-2.014552
"441830"	1639.311424	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M-2H"	-2.014552
"817272"	545.765624	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-2H"	-2.014552
"78711"	2186.084324	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M-H"	-1.007276
"518693"	3279.630124	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M-H"	-1.007276
"897722"	1092.538524	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-H"	-1.007276
"47310"	2203.110871	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M-2H+NH4"	16.019271
"493121"	3296.656671	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M-2H+NH4"	16.019271
"868736"	1109.565071	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-2H+NH4"	16.019271
"35540"	2208.066266	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M-2H+Na"	20.974666
"478385"	3301.612066	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M-2H+Na"	20.974666
"851080"	1114.520466	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-2H+Na"	20.974666
"1631192"	1114.520466	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Na-2H"	20.974666
"105532"	1110.526863	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M-H+Cl"	33.962126
"545095"	1657.299763	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M-H+Cl"	33.962126
"941775"	563.753963	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-H+Cl"	33.962126
"281789"	2222.061002	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+Cl"	34.969402
"675266"	3315.606802	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+Cl"	34.969402
"1288401"	1128.515202	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Cl"	34.969402
"27831"	2224.040206	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M-2H+K"	36.948606
"471165"	3317.586006	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M-2H+K"	36.948606
"845928"	1130.494406	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-2H+K"	36.948606
"1569416"	1130.494406	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+K-2H"	36.948606
"958408"	1138.543994	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-H+HCOOH"	44.998194
"370412"	2232.089801	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+HCOOH-H"	44.998201
"354296"	2246.105451	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+Hac-H"	59.013851
"1499850"	1152.559651	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Hac-H"	59.013851
"967389"	1160.525951	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-H+NaCOOH"	66.980151
"121766"	1128.515202	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+2Cl"	69.938804
"558045"	1675.288102	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+2Cl"	69.938804
"1026842"	581.742302	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2Cl"	69.938804
"1243504"	1172.464685	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Br"	78.918885
"1307047"	1174.520672	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Cl+HCOOH"	80.974872
"1323085"	1196.502629	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Cl+NaCOOH"	102.956829
"915602"	1206.531386	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M-H+CF3COOH"	112.985586
"1301791"	1242.508064	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Cl+CF3COOH"	148.962264
"1378858"	1058.533124	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H-2H2O"	-35.012676
"1393808"	1076.5431	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H-H2O"	-17.0027
"296775"	2188.098876	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+H"	1.007276
"688834"	3281.644676	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+H"	1.007276
"1363357"	1094.553076	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H"	1.007276
"138441"	1094.553076	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+2H"	2.014552
"577636"	1641.325976	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+2H"	2.014552
"1048986"	547.780176	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2H"	2.014552
"217983"	730.037809333333	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+3H"	3.021828
"658636"	1094.553076	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+3H"	3.021828
"1170562"	365.522542666667	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+3H"	3.021828
"438211"	2205.125423	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+NH4"	18.033823
"795923"	3298.671223	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+NH4"	18.033823
"1690067"	1111.579623	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+NH4"	18.033823
"341261"	1103.0663495	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+H+NH4"	19.041099
"736598"	1649.8392495	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+H+NH4"	19.041099
"1490417"	556.2934495	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H+NH4"	19.041099
"405090"	2210.080818	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+Na"	22.989218
"765356"	3303.626618	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+Na"	22.989218
"1613453"	1116.535018	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Na"	22.989218
"324582"	1105.544047	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+H+Na"	23.996494
"721985"	1652.316947	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+H+Na"	23.996494
"1470823"	558.771147	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H+Na"	23.996494
"1056413"	372.849856666667	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2H+Na"	25.00377
"1260286"	1126.579286	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+CH3OH+H"	33.033486
"379223"	2226.054758	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+K"	38.963158
"743134"	3319.600558	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+K"	38.963158
"1539984"	1132.508958	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+K"	38.963158
"300176"	1113.531017	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+H+K"	39.970434
"693329"	1660.303917	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+H+K"	39.970434
"1447880"	566.758117	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H+K"	39.970434
"240496"	2229.125426	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+ACN+H"	42.033826
"1220863"	1135.579626	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+ACN+H"	42.033826
"1201462"	568.293451	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+ACN+2H"	43.041102
"198709"	2232.06276	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+2Na-H"	44.97116
"642766"	3325.60856	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+2Na-H"	44.97116
"1140681"	1138.51696	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2Na-H"	44.97116
"179597"	1116.535018	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+2Na"	45.978436
"619156"	1663.307918	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+2Na"	45.978436
"1125944"	569.762118	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2Na"	45.978436
"1409467"	380.177170666667	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H+2Na"	46.985712
"1436118"	1140.558546	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H+HCOOH"	47.012746
"230195"	1121.56804	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+3H2O+2H"	56.04448
"1521536"	1154.61059	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+IsoProp+H"	61.06479
"421951"	1124.521988	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+Na+K"	61.952376
"778937"	1671.294888	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+Na+K"	61.952376
"1669433"	577.749088	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Na+K"	61.952376
"259598"	2251.107368	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+ACN+Na"	64.015768
"1227201"	1157.561568	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+ACN+Na"	64.015768
"1714994"	1157.585093	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+NH4+HCOOH"	64.039293
"1186554"	387.504484666667	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+3Na"	68.967654
"1652072"	1162.540488	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Na+HCOOH"	68.994688
"158201"	2264.01064	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+2K-H"	76.91904
"605056"	3357.55644	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+2K-H"	76.91904
"1089568"	1170.46484	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2K-H"	76.91904
"142253"	1132.508958	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"2M+2K"	77.926316
"581521"	1679.281858	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"3M+2K"	77.926316
"1068789"	585.736058	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2K"	77.926316
"1108042"	1172.479392	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2K+H"	78.933592
"1350762"	1172.567007	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+DMSO+H"	79.021207
"1020748"	1176.606176	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2ACN+H"	83.060376
"1536192"	1177.599808	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+IsoProp+Na+H"	84.054008
"999723"	588.806726	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+2ACN+2H"	84.067652
"1597507"	1178.514428	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+K+HCOOH"	84.968628
"1425359"	1208.545938	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+H+CF3COOH"	115.000138
"1160020"	609.320001	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+3ACN+2H"	125.094202
"1711394"	1225.572485	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+NH4+CF3COOH"	132.026685
"1649604"	1230.52788	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+Na+CF3COOH"	136.98208
"1586339"	1246.50182	"C08926"	"Avenacin A-1"	"C55H83NO21"	"1093.5458"	"M+K+CF3COOH"	152.95602
"810145"	1048.5243	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M"	0
"978209"	1029.50591	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-H2O-H"	-19.01839
"63288"	698.008924	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M-3H"	-3.021828
"503408"	1047.517024	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M-3H"	-3.021828
"880478"	348.500824	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-3H"	-3.021828
"309"	1047.517024	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M-2H"	-2.014552
"440359"	1571.779174	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M-2H"	-2.014552
"817343"	523.254874	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-2H"	-2.014552
"79040"	2096.041324	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M-H"	-1.007276
"518844"	3144.565624	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M-H"	-1.007276
"897832"	1047.517024	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-H"	-1.007276
"47586"	2113.067871	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M-2H+NH4"	16.019271
"490681"	3161.592171	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M-2H+NH4"	16.019271
"868116"	1064.543571	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-2H+NH4"	16.019271
"35650"	2118.023266	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M-2H+Na"	20.974666
"477766"	3166.547566	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M-2H+Na"	20.974666
"851556"	1069.498966	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-2H+Na"	20.974666
"1628021"	1069.498966	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Na-2H"	20.974666
"105642"	1065.505363	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M-H+Cl"	33.962126
"547027"	1589.767513	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M-H+Cl"	33.962126
"940547"	541.243213	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-H+Cl"	33.962126
"280563"	2132.018002	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+Cl"	34.969402
"671890"	3180.542302	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+Cl"	34.969402
"1287697"	1083.493702	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Cl"	34.969402
"26848"	2133.997206	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M-2H+K"	36.948606
"468604"	3182.521506	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M-2H+K"	36.948606
"848405"	1085.472906	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-2H+K"	36.948606
"1565516"	1085.472906	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+K-2H"	36.948606
"953399"	1093.522494	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-H+HCOOH"	44.998194
"373804"	2142.046801	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+HCOOH-H"	44.998201
"353311"	2156.062451	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+Hac-H"	59.013851
"1499957"	1107.538151	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Hac-H"	59.013851
"966406"	1115.504451	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-H+NaCOOH"	66.980151
"121512"	1083.493702	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+2Cl"	69.938804
"555969"	1607.755852	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+2Cl"	69.938804
"1028046"	559.231552	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2Cl"	69.938804
"1246530"	1127.443185	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Br"	78.918885
"1306791"	1129.499172	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Cl+HCOOH"	80.974872
"1323194"	1151.481129	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Cl+NaCOOH"	102.956829
"914619"	1161.509886	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M-H+CF3COOH"	112.985586
"1299714"	1197.486564	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Cl+CF3COOH"	148.962264
"1380061"	1013.511624	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H-2H2O"	-35.012676
"1397202"	1031.5216	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H-H2O"	-17.0027
"296888"	2098.055876	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+H"	1.007276
"688214"	3146.580176	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+H"	1.007276
"1363831"	1049.531576	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H"	1.007276
"137093"	1049.531576	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+2H"	2.014552
"577745"	1573.793726	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+2H"	2.014552
"1049094"	525.269426	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2H"	2.014552
"219188"	700.023476	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+3H"	3.021828
"659233"	1049.531576	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+3H"	3.021828
"1171765"	350.515376	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+3H"	3.021828
"435041"	2115.082423	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+NH4"	18.033823
"792753"	3163.606723	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+NH4"	18.033823
"1690177"	1066.558123	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+NH4"	18.033823
"341735"	1058.0448495	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+H+NH4"	19.041099
"735979"	1582.3069995	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+H+NH4"	19.041099
"1489798"	533.7826995	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H+NH4"	19.041099
"405200"	2120.037818	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+Na"	22.989218
"768019"	3168.562118	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+Na"	22.989218
"1615389"	1071.513518	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Na"	22.989218
"325788"	1060.522547	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+H+Na"	23.996494
"720030"	1584.784697	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+H+Na"	23.996494
"1472027"	536.260397	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H+Na"	23.996494
"1060897"	357.84269	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2H+Na"	25.00377
"1257235"	1081.557786	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+CH3OH+H"	33.033486
"378120"	2136.011758	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+K"	38.963158
"738992"	3184.536058	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+K"	38.963158
"1540027"	1087.487458	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+K"	38.963158
"300651"	1068.509517	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+H+K"	39.970434
"695992"	1592.771667	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+H+K"	39.970434
"1450906"	544.247367	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H+K"	39.970434
"240606"	2139.082426	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+ACN+H"	42.033826
"1221337"	1090.558126	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+ACN+H"	42.033826
"1201573"	545.782701	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+ACN+2H"	43.041102
"196632"	2142.01976	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+2Na-H"	44.97116
"639473"	3190.54406	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+2Na-H"	44.97116
"1139698"	1093.49546	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2Na-H"	44.97116
"176061"	1071.513518	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+2Na"	45.978436
"617444"	1595.775668	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+2Na"	45.978436
"1126054"	547.251368	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2Na"	45.978436
"1408484"	365.170004	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H+2Na"	46.985712
"1439507"	1095.537046	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H+HCOOH"	47.012746
"230304"	1076.54654	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+3H2O+2H"	56.04448
"1517271"	1109.58909	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+IsoProp+H"	61.06479
"418051"	1079.500488	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+Na+K"	61.952376
"780869"	1603.762638	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+Na+K"	61.952376
"1668082"	555.238338	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Na+K"	61.952376
"256427"	2161.064368	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+ACN+Na"	64.015768
"1225624"	1112.540068	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+ACN+Na"	64.015768
"1712993"	1112.563593	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+NH4+HCOOH"	64.039293
"1186664"	372.497318	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+3Na"	68.967654
"1651817"	1117.518988	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Na+HCOOH"	68.994688
"158311"	2173.96764	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+2K-H"	76.91904
"602979"	3222.49194	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+2K-H"	76.91904
"1087855"	1125.44334	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2K-H"	76.91904
"142485"	1087.487458	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"2M+2K"	77.926316
"581671"	1611.749608	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"3M+2K"	77.926316
"1068490"	563.225308	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2K"	77.926316
"1105965"	1127.457892	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2K+H"	78.933592
"1351204"	1127.545507	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+DMSO+H"	79.021207
"1021060"	1131.584676	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2ACN+H"	83.060376
"1537396"	1132.578308	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+IsoProp+Na+H"	84.054008
"1000926"	566.295976	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+2ACN+2H"	84.067652
"1597617"	1133.492928	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+K+HCOOH"	84.968628
"1426563"	1163.524438	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+H+CF3COOH"	115.000138
"1161589"	586.809251	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+3ACN+2H"	125.094202
"1711504"	1180.550985	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+NH4+CF3COOH"	132.026685
"1649470"	1185.50638	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+Na+CF3COOH"	136.98208
"1586449"	1201.48032	"C08927"	"Avenacin B-2"	"C54H80O20"	"1048.5243"	"M+K+CF3COOH"	152.95602
"815359"	580.1733	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M"	0
"979413"	561.15491	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-H2O-H"	-19.01839
"65831"	385.774924	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M-3H"	-3.021828
"505025"	579.166024	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M-3H"	-3.021828
"883918"	192.383824	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-3H"	-3.021828
"1764"	579.166024	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M-2H"	-2.014552
"442052"	869.252674	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M-2H"	-2.014552
"817214"	289.079374	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-2H"	-2.014552
"83132"	1159.339324	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M-H"	-1.007276
"520138"	1739.512624	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M-H"	-1.007276
"899402"	579.166024	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-H"	-1.007276
"48185"	1176.365871	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M-2H+NH4"	16.019271
"496624"	1756.539171	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M-2H+NH4"	16.019271
"873331"	596.192571	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-2H+NH4"	16.019271
"39042"	1181.321266	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M-2H+Na"	20.974666
"483710"	1761.494566	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M-2H+Na"	20.974666
"857499"	601.147966	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-2H+Na"	20.974666
"1629954"	601.147966	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Na-2H"	20.974666
"107818"	597.154363	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M-H+Cl"	33.962126
"546410"	887.241013	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M-H+Cl"	33.962126
"939932"	307.067713	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-H+Cl"	33.962126
"280553"	1195.316002	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+Cl"	34.969402
"674676"	1775.489302	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+Cl"	34.969402
"1287202"	615.142702	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Cl"	34.969402
"29029"	1197.295206	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M-2H+K"	36.948606
"471066"	1777.468506	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M-2H+K"	36.948606
"848401"	617.121906	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-2H+K"	36.948606
"1570939"	617.121906	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+K-2H"	36.948606
"956793"	625.171494	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-H+HCOOH"	44.998194
"376102"	1205.344801	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+HCOOH-H"	44.998201
"358888"	1219.360451	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+Hac-H"	59.013851
"1502254"	639.187151	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Hac-H"	59.013851
"966516"	647.153451	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-H+NaCOOH"	66.980151
"121622"	615.142702	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+2Cl"	69.938804
"559359"	905.229352	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+2Cl"	69.938804
"1029250"	325.056052	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2Cl"	69.938804
"1244453"	659.092185	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Br"	78.918885
"1306901"	661.148172	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Cl+HCOOH"	80.974872
"1326584"	683.130129	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Cl+NaCOOH"	102.956829
"914729"	693.158886	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M-H+CF3COOH"	112.985586
"1302012"	729.135564	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Cl+CF3COOH"	148.962264
"1381265"	545.160624	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H-2H2O"	-35.012676
"1393293"	563.1706	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H-H2O"	-17.0027
"291887"	1161.353876	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+H"	1.007276
"690506"	1741.527176	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+H"	1.007276
"1365034"	581.180576	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H"	1.007276
"139392"	581.180576	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+2H"	2.014552
"578951"	871.267226	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+2H"	2.014552
"1049937"	291.093926	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2H"	2.014552
"218569"	387.789476	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+3H"	3.021828
"658371"	581.180576	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+3H"	3.021828
"1171875"	194.398376	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+3H"	3.021828
"436242"	1178.380423	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+NH4"	18.033823
"795050"	1758.553723	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+NH4"	18.033823
"1693568"	598.207123	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+NH4"	18.033823
"344763"	589.6938495	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+H+NH4"	19.041099
"736454"	879.7804995	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+H+NH4"	19.041099
"1489910"	299.6071995	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H+NH4"	19.041099
"407623"	1183.335818	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+Na"	22.989218
"767404"	1763.509118	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+Na"	22.989218
"1616229"	603.162518	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Na"	22.989218
"326992"	592.171547	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+H+Na"	23.996494
"720754"	882.258197	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+H+Na"	23.996494
"1475302"	302.084897	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H+Na"	23.996494
"1066476"	201.72569	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2H+Na"	25.00377
"1257588"	613.206786	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+CH3OH+H"	33.033486
"378109"	1199.309758	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+K"	38.963158
"739347"	1779.483058	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+K"	38.963158
"1540305"	619.136458	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+K"	38.963158
"298940"	600.158517	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+H+K"	39.970434
"702664"	890.245167	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+H+K"	39.970434
"1452111"	310.071867	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H+K"	39.970434
"239619"	1202.380426	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+ACN+H"	42.033826
"1211237"	622.207126	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+ACN+H"	42.033826
"1196210"	311.607201	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+ACN+2H"	43.041102
"195647"	1205.31776	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+2Na-H"	44.97116
"633015"	1785.49106	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+2Na-H"	44.97116
"1135427"	625.14446	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2Na-H"	44.97116
"176538"	603.162518	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+2Na"	45.978436
"624483"	893.249168	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+2Na"	45.978436
"1123980"	313.075868	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2Na"	45.978436
"1406409"	209.053004	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H+2Na"	46.985712
"1439618"	627.186046	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H+HCOOH"	47.012746
"228230"	608.19554	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+3H2O+2H"	56.04448
"1518477"	641.23809	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+IsoProp+H"	61.06479
"418163"	611.149488	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+Na+K"	61.952376
"779159"	901.236138	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+Na+K"	61.952376
"1668928"	321.062838	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Na+K"	61.952376
"258726"	1224.362368	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+ACN+Na"	64.015768
"1228151"	644.189068	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+ACN+Na"	64.015768
"1713758"	644.212593	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+NH4+HCOOH"	64.039293
"1185681"	216.380318	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+3Na"	68.967654
"1652657"	649.167988	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Na+HCOOH"	68.994688
"158424"	1237.26564	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+2K-H"	76.91904
"606370"	1817.43894	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+2K-H"	76.91904
"1089788"	657.09234	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2K-H"	76.91904
"146969"	619.136458	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"2M+2K"	77.926316
"583976"	909.223108	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"3M+2K"	77.926316
"1082710"	329.049808	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2K"	77.926316
"1110449"	659.106892	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2K+H"	78.933592
"1350974"	659.194507	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+DMSO+H"	79.021207
"1019747"	663.233676	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2ACN+H"	83.060376
"1537869"	664.227308	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+IsoProp+Na+H"	84.054008
"1001036"	332.120476	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+2ACN+2H"	84.067652
"1596633"	665.141928	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+K+HCOOH"	84.968628
"1429591"	695.173438	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+H+CF3COOH"	115.000138
"1161334"	352.633751	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+3ACN+2H"	125.094202
"1707602"	712.199985	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+NH4+CF3COOH"	132.026685
"1649699"	717.15538	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+Na+CF3COOH"	136.98208
"1586559"	733.12932	"C08928"	"Mulberrofuran C"	"C34H28O9"	"580.1733"	"M+K+CF3COOH"	152.95602
"807083"	274.0841	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M"	0
"975271"	255.06571	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"63511"	181.715457333333	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"503189"	273.076824	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"880257"	90.3540906666667	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"246"	273.076824	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"440571"	410.118874	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"817522"	136.034774	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"83242"	547.160924	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"521219"	821.245024	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"898783"	273.076824	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"47808"	564.187471	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"496734"	838.271571	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"873441"	290.103371	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"38059"	569.142866	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"485156"	843.226966	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"857609"	295.058766	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1630428"	295.058766	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"105862"	291.065163	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"546520"	428.107213	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"936760"	154.023113	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"278597"	583.137602	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"672964"	857.221702	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1286701"	309.053502	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"29257"	585.116806	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"468825"	859.200906	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"846990"	311.032706	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1569020"	311.032706	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"956901"	319.082294	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"371835"	593.166401	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"356812"	607.182051	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1499083"	333.097951	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"961157"	341.064251	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"118814"	309.053502	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"559469"	446.095552	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1027173"	172.011452	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1243468"	353.002985	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1305187"	355.058972	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1319914"	377.040929	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"917755"	387.069686	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1301029"	423.046364	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1378095"	239.071424	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1390123"	257.0814	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"291997"	549.175476	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"686606"	823.259576	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1365143"	275.091376	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"132562"	275.091376	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"579425"	412.133426	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1051749"	138.049326	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"218922"	183.730009333333	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"658724"	275.091376	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1170892"	92.3686426666667	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"436352"	566.202023	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"795160"	840.286123	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1694772"	292.117923	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"345239"	283.6046495	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"736565"	420.6466995	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1489656"	146.5625995	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"407852"	571.157418	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"766420"	845.241518	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1616946"	297.073318	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"328196"	286.082347	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"720742"	423.124397	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1472982"	149.040297	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1067439"	99.6959566666666	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1257699"	307.117586	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"377975"	587.131358	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"740185"	861.215458	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1541874"	313.047258	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"299414"	294.069317	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"701681"	431.111367	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1455505"	157.027267	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"240824"	590.202026	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1214628"	316.117926	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1197781"	158.562601	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"192477"	593.13936	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"632034"	867.22346	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1135543"	319.05526	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"176648"	297.073318	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"623499"	434.115368	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1124088"	160.031268	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1406519"	107.023270666667	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1440820"	321.096846	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"233078"	302.10634	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1519680"	335.14889	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"418274"	305.060288	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"778175"	442.102338	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1670131"	168.018238	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"258836"	612.183968	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1229722"	338.099868	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1713504"	338.123393	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1185791"	114.350584666667	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1651310"	343.078788	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"157803"	625.08724	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"605387"	899.17134	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1089898"	351.00314	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"144528"	313.047258	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"582993"	450.089308	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1080268"	176.005208	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1108372"	353.017692	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1348045"	353.105307	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1017668"	357.144476	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1537980"	358.138108	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"1001146"	179.075876	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1598930"	359.052728	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1429705"	389.084238	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1159258"	199.589151	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1707712"	406.110785	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1649446"	411.06618	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1586669"	427.04012	"C08929"	"alpha-Pyrufuran;134-Trimethoxy-2-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"807193"	810.4402	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M"	0
"977446"	791.42181	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-H2O-H"	-19.01839
"63500"	539.286190666667	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M-3H"	-3.021828
"504515"	809.432924	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M-3H"	-3.021828
"880492"	269.139457333333	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-3H"	-3.021828
"475"	809.432924	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M-2H"	-2.014552
"440934"	1214.653024	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M-2H"	-2.014552
"817638"	404.212824	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-2H"	-2.014552
"82259"	1619.873124	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M-H"	-1.007276
"520358"	2430.313324	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M-H"	-1.007276
"898893"	809.432924	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-H"	-1.007276
"57281"	1636.899671	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M-2H+NH4"	16.019271
"495748"	2447.339871	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M-2H+NH4"	16.019271
"868081"	826.459471	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-2H+NH4"	16.019271
"39262"	1641.855066	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M-2H+Na"	20.974666
"484294"	2452.295266	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M-2H+Na"	20.974666
"855169"	831.414866	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-2H+Na"	20.974666
"1631269"	831.414866	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Na-2H"	20.974666
"107068"	827.421263	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M-H+Cl"	33.962126
"549350"	1232.641363	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M-H+Cl"	33.962126
"941366"	422.201163	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-H+Cl"	33.962126
"282233"	1655.849802	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+Cl"	34.969402
"675018"	2466.290002	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+Cl"	34.969402
"1288030"	845.409602	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Cl"	34.969402
"30103"	1657.829006	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M-2H+K"	36.948606
"470273"	2468.269206	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M-2H+K"	36.948606
"847463"	847.388806	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-2H+K"	36.948606
"1569738"	847.388806	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+K-2H"	36.948606
"952637"	855.438394	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-H+HCOOH"	44.998194
"371945"	1665.878601	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+HCOOH-H"	44.998201
"351454"	1679.894251	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+Hac-H"	59.013851
"1499194"	869.454051	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Hac-H"	59.013851
"964547"	877.420351	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-H+NaCOOH"	66.980151
"118924"	845.409602	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+2Cl"	69.938804
"560672"	1250.629702	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+2Cl"	69.938804
"1031659"	440.189502	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2Cl"	69.938804
"1250143"	889.359085	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Br"	78.918885
"1312592"	891.415072	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Cl+HCOOH"	80.974872
"1323526"	913.397029	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Cl+NaCOOH"	102.956829
"920052"	923.425786	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M-H+CF3COOH"	112.985586
"1303329"	959.402464	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Cl+CF3COOH"	148.962264
"1378205"	775.427524	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H-2H2O"	-35.012676
"1394606"	793.4375	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H-H2O"	-17.0027
"297946"	1621.887676	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+H"	1.007276
"691054"	2432.327876	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+H"	1.007276
"1365257"	811.447476	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H"	1.007276
"138871"	811.447476	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+2H"	2.014552
"577703"	1216.667576	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+2H"	2.014552
"1052589"	406.227376	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2H"	2.014552
"218794"	541.300742666667	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+3H"	3.021828
"659728"	811.447476	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+3H"	3.021828
"1175380"	271.154009333333	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+3H"	3.021828
"439427"	1638.914223	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+NH4"	18.033823
"799285"	2449.354423	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+NH4"	18.033823
"1694519"	828.474023	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+NH4"	18.033823
"342069"	819.9607495	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+H+NH4"	19.041099
"738258"	1225.1808495	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+H+NH4"	19.041099
"1490136"	414.7406495	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H+NH4"	19.041099
"408084"	1643.869618	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+Na"	22.989218
"769568"	2454.309818	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+Na"	22.989218
"1617179"	833.429418	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Na"	22.989218
"326486"	822.438447	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+H+Na"	23.996494
"720368"	1227.658547	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+H+Na"	23.996494
"1475884"	417.218347	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H+Na"	23.996494
"1067792"	278.481323333333	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2H+Na"	25.00377
"1257687"	843.473686	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+CH3OH+H"	33.033486
"378325"	1659.843558	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+K"	38.963158
"740661"	2470.283758	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+K"	38.963158
"1541252"	849.403358	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+K"	38.963158
"302805"	830.425417	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+H+K"	39.970434
"705441"	1235.645517	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+H+K"	39.970434
"1454521"	425.205317	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H+K"	39.970434
"244217"	1662.914226	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+ACN+H"	42.033826
"1215102"	852.474026	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+ACN+H"	42.033826
"1196796"	426.740651	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+ACN+2H"	43.041102
"195868"	1665.85156	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+2Na-H"	44.97116
"635428"	2476.29176	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+2Na-H"	44.97116
"1134921"	855.41136	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2Na-H"	44.97116
"188060"	833.429418	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+2Na"	45.978436
"623974"	1238.649518	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+2Na"	45.978436
"1120918"	428.209318	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2Na"	45.978436
"1407725"	285.808637333333	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H+2Na"	46.985712
"1440934"	857.452946	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H+HCOOH"	47.012746
"231728"	838.46244	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+3H2O+2H"	56.04448
"1516509"	871.50499	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+IsoProp+H"	61.06479
"419476"	841.416388	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+Na+K"	61.952376
"778285"	1246.636488	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+Na+K"	61.952376
"1670241"	436.196288	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Na+K"	61.952376
"257852"	1684.896168	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+ACN+Na"	64.015768
"1233842"	874.455968	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+ACN+Na"	64.015768
"1713978"	874.479493	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+NH4+HCOOH"	64.039293
"1182621"	293.135951333333	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+3Na"	68.967654
"1653606"	879.434888	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Na+HCOOH"	68.994688
"157384"	1697.79944	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+2K-H"	76.91904
"605497"	2508.23964	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+2K-H"	76.91904
"1091101"	887.35924	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2K-H"	76.91904
"145731"	849.403358	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"2M+2K"	77.926316
"584197"	1254.623458	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"3M+2K"	77.926316
"1080742"	444.183258	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2K"	77.926316
"1107389"	889.373792	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2K+H"	78.933592
"1351076"	889.461407	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+DMSO+H"	79.021207
"1019841"	893.500576	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2ACN+H"	83.060376
"1537600"	894.494208	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+IsoProp+Na+H"	84.054008
"1001252"	447.253926	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+2ACN+2H"	84.067652
"1599040"	895.408828	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+K+HCOOH"	84.968628
"1425795"	925.440338	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+H+CF3COOH"	115.000138
"1160457"	467.767201	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+3ACN+2H"	125.094202
"1706729"	942.466885	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+NH4+CF3COOH"	132.026685
"1645659"	947.42228	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+Na+CF3COOH"	136.98208
"1586779"	963.39622	"C08930"	"Azukisaponin III"	"C42H66O15"	"810.4402"	"M+K+CF3COOH"	152.95602
"812773"	490.3658	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M"	0
"977558"	471.34741	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-H2O-H"	-19.01839
"65069"	325.903257333333	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M-3H"	-3.021828
"503894"	489.358524	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M-3H"	-3.021828
"882061"	162.447990666667	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-3H"	-3.021828
"2097"	489.358524	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M-2H"	-2.014552
"441655"	734.541424	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M-2H"	-2.014552
"817221"	244.175624	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-2H"	-2.014552
"82367"	979.724324	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M-H"	-1.007276
"524119"	1470.090124	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M-H"	-1.007276
"897908"	489.358524	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-H"	-1.007276
"55205"	996.750871	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M-2H+NH4"	16.019271
"500234"	1487.116671	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M-2H+NH4"	16.019271
"870744"	506.385071	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-2H+NH4"	16.019271
"42654"	1001.706266	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M-2H+Na"	20.974666
"482218"	1492.072066	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M-2H+Na"	20.974666
"855645"	511.340466	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-2H+Na"	20.974666
"1633769"	511.340466	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Na-2H"	20.974666
"106085"	507.346863	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M-H+Cl"	33.962126
"549621"	752.529763	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M-H+Cl"	33.962126
"941721"	262.163963	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-H+Cl"	33.962126
"282751"	1015.701002	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+Cl"	34.969402
"675293"	1506.066802	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+Cl"	34.969402
"1288436"	525.335202	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Cl"	34.969402
"30581"	1017.680206	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M-2H+K"	36.948606
"470145"	1508.046006	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M-2H+K"	36.948606
"848354"	527.314406	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-2H+K"	36.948606
"1571252"	527.314406	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+K-2H"	36.948606
"957123"	535.363994	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-H+HCOOH"	44.998194
"375335"	1025.729801	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+HCOOH-H"	44.998201
"354844"	1039.745451	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+Hac-H"	59.013851
"1499304"	549.379651	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Hac-H"	59.013851
"964657"	557.345951	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-H+NaCOOH"	66.980151
"121221"	525.335202	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+2Cl"	69.938804
"560782"	770.518102	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+2Cl"	69.938804
"1031769"	280.152302	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2Cl"	69.938804
"1250253"	569.284685	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Br"	78.918885
"1312702"	571.340672	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Cl+HCOOH"	80.974872
"1325823"	593.322629	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Cl+NaCOOH"	102.956829
"920162"	603.351386	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M-H+CF3COOH"	112.985586
"1300153"	639.328064	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Cl+CF3COOH"	148.962264
"1378315"	455.353124	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H-2H2O"	-35.012676
"1390343"	473.3631	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H-H2O"	-17.0027
"298057"	981.738876	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+H"	1.007276
"689748"	1472.104676	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+H"	1.007276
"1364641"	491.373076	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H"	1.007276
"141046"	491.373076	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+2H"	2.014552
"577813"	736.555976	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+2H"	2.014552
"1049892"	246.190176	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2H"	2.014552
"218904"	327.917809333333	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+3H"	3.021828
"659311"	491.373076	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+3H"	3.021828
"1176218"	164.462542666667	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+3H"	3.021828
"439252"	998.765423	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+NH4"	18.033823
"800248"	1489.131223	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+NH4"	18.033823
"1694629"	508.399623	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+NH4"	18.033823
"345421"	499.8863495	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+H+NH4"	19.041099
"738375"	745.0692495	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+H+NH4"	19.041099
"1490974"	254.7034495	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H+NH4"	19.041099
"408359"	1003.720818	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+Na"	22.989218
"769194"	1494.086618	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+Na"	22.989218
"1616924"	513.355018	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Na"	22.989218
"327690"	502.364047	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+H+Na"	23.996494
"720113"	747.546947	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+H+Na"	23.996494
"1475026"	257.181147	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H+Na"	23.996494
"1068230"	171.789856666667	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2H+Na"	25.00377
"1258405"	523.399286	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+CH3OH+H"	33.033486
"378069"	1019.694758	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+K"	38.963158
"742594"	1510.060558	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+K"	38.963158
"1542822"	529.328958	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+K"	38.963158
"304010"	510.351017	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+H+K"	39.970434
"705186"	755.533917	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+H+K"	39.970434
"1454631"	265.168117	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H+K"	39.970434
"244327"	1022.765426	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+ACN+H"	42.033826
"1215576"	532.399626	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+ACN+H"	42.033826
"1195446"	266.703451	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+ACN+2H"	43.041102
"195978"	1025.70276	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+2Na-H"	44.97116
"635538"	1516.06856	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+2Na-H"	44.97116
"1135396"	535.33696	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2Na-H"	44.97116
"187562"	513.355018	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+2Na"	45.978436
"625179"	758.537918	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+2Na"	45.978436
"1127592"	268.172118	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2Na"	45.978436
"1411118"	179.117170666667	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H+2Na"	46.985712
"1437764"	537.378546	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H+HCOOH"	47.012746
"231840"	518.38804	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+3H2O+2H"	56.04448
"1520997"	551.43059	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+IsoProp+H"	61.06479
"417400"	521.341988	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+Na+K"	61.952376
"780585"	766.524888	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+Na+K"	61.952376
"1669259"	276.159088	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Na+K"	61.952376
"256871"	1044.747368	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+ACN+Na"	64.015768
"1227757"	554.381568	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+ACN+Na"	64.015768
"1723938"	554.405093	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+NH4+HCOOH"	64.039293
"1190387"	186.444484666667	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+3Na"	68.967654
"1658092"	559.360488	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Na+HCOOH"	68.994688
"162765"	1057.65064	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+2K-H"	76.91904
"606701"	1548.01644	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+2K-H"	76.91904
"1099559"	567.28484	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2K-H"	76.91904
"145842"	529.328958	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"2M+2K"	77.926316
"589777"	774.511858	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"3M+2K"	77.926316
"1080852"	284.146058	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2K"	77.926316
"1108593"	569.299392	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2K+H"	78.933592
"1344984"	569.387007	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+DMSO+H"	79.021207
"1020200"	573.426176	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2ACN+H"	83.060376
"1539299"	574.419808	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+IsoProp+Na+H"	84.054008
"1004525"	287.216726	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+2ACN+2H"	84.067652
"1600243"	575.334428	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+K+HCOOH"	84.968628
"1428465"	605.365938	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+H+CF3COOH"	115.000138
"1160571"	307.730001	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+3ACN+2H"	125.094202
"1707932"	622.392485	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+NH4+CF3COOH"	132.026685
"1647595"	627.34788	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+Na+CF3COOH"	136.98208
"1586889"	643.32182	"C08931"	"Barringtogenol C"	"C30H50O5"	"490.3658"	"M+K+CF3COOH"	152.95602
"807413"	812.4558	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M"	0
"975114"	793.43741	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-H2O-H"	-19.01839
"62858"	540.629924	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M-3H"	-3.021828
"502846"	811.448524	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M-3H"	-3.021828
"880118"	269.811324	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-3H"	-3.021828
"57"	811.448524	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M-2H"	-2.014552
"439989"	1217.676424	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M-2H"	-2.014552
"817087"	405.220624	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-2H"	-2.014552
"78624"	1623.904324	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M-H"	-1.007276
"520582"	2436.360124	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M-H"	-1.007276
"897289"	811.448524	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-H"	-1.007276
"49481"	1640.930871	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M-2H+NH4"	16.019271
"490498"	2453.386671	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M-2H+NH4"	16.019271
"867572"	828.475071	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-2H+NH4"	16.019271
"35110"	1645.886266	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M-2H+Na"	20.974666
"480141"	2458.342066	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M-2H+Na"	20.974666
"853203"	833.430466	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-2H+Na"	20.974666
"1633840"	833.430466	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Na-2H"	20.974666
"102915"	829.436863	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M-H+Cl"	33.962126
"549928"	1235.664763	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M-H+Cl"	33.962126
"942716"	423.208963	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-H+Cl"	33.962126
"282814"	1659.881002	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+Cl"	34.969402
"675606"	2472.336802	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+Cl"	34.969402
"1288402"	847.425202	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Cl"	34.969402
"30086"	1661.860206	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M-2H+K"	36.948606
"471313"	2474.316006	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M-2H+K"	36.948606
"848402"	849.404406	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-2H+K"	36.948606
"1570856"	849.404406	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+K-2H"	36.948606
"955776"	857.453994	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-H+HCOOH"	44.998194
"373260"	1669.909801	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+HCOOH-H"	44.998201
"354954"	1683.925451	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+Hac-H"	59.013851
"1497955"	871.469651	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Hac-H"	59.013851
"968047"	879.435951	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-H+NaCOOH"	66.980151
"120603"	847.425202	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+2Cl"	69.938804
"561257"	1253.653102	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+2Cl"	69.938804
"1032972"	441.197302	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2Cl"	69.938804
"1251456"	891.374685	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Br"	78.918885
"1312812"	893.430672	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Cl+HCOOH"	80.974872
"1325933"	915.412629	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Cl+NaCOOH"	102.956829
"920272"	925.441386	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M-H+CF3COOH"	112.985586
"1295887"	961.418064	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Cl+CF3COOH"	148.962264
"1378425"	777.443124	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H-2H2O"	-35.012676
"1390453"	795.4531	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H-H2O"	-17.0027
"298373"	1625.918876	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+H"	1.007276
"689856"	2438.374676	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+H"	1.007276
"1365844"	813.463076	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H"	1.007276
"140184"	813.463076	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+2H"	2.014552
"577923"	1219.690976	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+2H"	2.014552
"1050734"	407.235176	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2H"	2.014552
"219379"	542.644476	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+3H"	3.021828
"657839"	813.463076	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+3H"	3.021828
"1175235"	271.825876	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+3H"	3.021828
"436682"	1642.945423	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+NH4"	18.033823
"799750"	2455.401223	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+NH4"	18.033823
"1693282"	830.489623	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+NH4"	18.033823
"344115"	821.9763495	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+H+NH4"	19.041099
"736898"	1228.2042495	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+H+NH4"	19.041099
"1489990"	415.7484495	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H+NH4"	19.041099
"405387"	1647.900818	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+Na"	22.989218
"766382"	2460.356618	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+Na"	22.989218
"1616305"	835.445018	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Na"	22.989218
"327436"	824.454047	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+H+Na"	23.996494
"719492"	1230.681947	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+H+Na"	23.996494
"1474403"	418.226147	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H+Na"	23.996494
"1066553"	279.15319	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2H+Na"	25.00377
"1258394"	845.489286	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+CH3OH+H"	33.033486
"378063"	1663.874758	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+K"	38.963158
"740152"	2476.330558	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+K"	38.963158
"1544757"	851.418958	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+K"	38.963158
"306308"	832.441017	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+H+K"	39.970434
"704201"	1238.668917	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+H+K"	39.970434
"1453647"	426.213117	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H+K"	39.970434
"244436"	1666.945426	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+ACN+H"	42.033826
"1212770"	854.489626	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+ACN+H"	42.033826
"1195557"	427.748451	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+ACN+2H"	43.041102
"198275"	1669.88276	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+2Na-H"	44.97116
"640023"	2482.33856	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+2Na-H"	44.97116
"1134049"	857.42696	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2Na-H"	44.97116
"183540"	835.445018	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+2Na"	45.978436
"624196"	1241.672918	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+2Na"	45.978436
"1126609"	429.217118	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2Na"	45.978436
"1406854"	286.480504	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H+2Na"	46.985712
"1438968"	859.468546	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H+HCOOH"	47.012746
"235111"	840.47804	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+3H2O+2H"	56.04448
"1523781"	873.52059	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+IsoProp+H"	61.06479
"418603"	843.431988	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+Na+K"	61.952376
"780695"	1249.659888	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+Na+K"	61.952376
"1669369"	437.204088	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Na+K"	61.952376
"256981"	1688.927368	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+ACN+Na"	64.015768
"1229689"	876.471568	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+ACN+Na"	64.015768
"1724048"	876.495093	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+NH4+HCOOH"	64.039293
"1190497"	293.807818	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+3Na"	68.967654
"1657109"	881.450488	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Na+HCOOH"	68.994688
"163969"	1701.83064	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+2K-H"	76.91904
"607904"	2514.28644	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+2K-H"	76.91904
"1099669"	889.37484	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2K-H"	76.91904
"145953"	851.418958	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"2M+2K"	77.926316
"589887"	1257.646858	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"3M+2K"	77.926316
"1080962"	445.191058	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2K"	77.926316
"1108703"	891.389392	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2K+H"	78.933592
"1348375"	891.477007	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+DMSO+H"	79.021207
"1021130"	895.516176	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2ACN+H"	83.060376
"1539820"	896.509808	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+IsoProp+Na+H"	84.054008
"1004635"	448.261726	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+2ACN+2H"	84.067652
"1599260"	897.424428	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+K+HCOOH"	84.968628
"1429064"	927.455938	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+H+CF3COOH"	115.000138
"1160681"	468.775001	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+3ACN+2H"	125.094202
"1708042"	944.482485	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+NH4+CF3COOH"	132.026685
"1647705"	949.43788	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+Na+CF3COOH"	136.98208
"1586999"	965.41182	"C08932"	"Bayogenin 3-O-cellobioside"	"C42H68O15"	"812.4558"	"M+K+CF3COOH"	152.95602
"810804"	1146.5458	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M"	0
"981059"	1127.52741	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-H2O-H"	-19.01839
"64925"	763.356590666667	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M-3H"	-3.021828
"505579"	1145.538524	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M-3H"	-3.021828
"881193"	381.174657333333	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-3H"	-3.021828
"1951"	1145.538524	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M-2H"	-2.014552
"440087"	1718.811424	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M-2H"	-2.014552
"817597"	572.265624	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-2H"	-2.014552
"80398"	2292.084324	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M-H"	-1.007276
"520692"	3438.630124	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M-H"	-1.007276
"897518"	1145.538524	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-H"	-1.007276
"51413"	2309.110871	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M-2H+NH4"	16.019271
"489877"	3455.656671	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M-2H+NH4"	16.019271
"869504"	1162.565071	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-2H+NH4"	16.019271
"36313"	2314.066266	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M-2H+Na"	20.974666
"473320"	3460.612066	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M-2H+Na"	20.974666
"853311"	1167.520466	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-2H+Na"	20.974666
"1626494"	1167.520466	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Na-2H"	20.974666
"103022"	1163.526863	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M-H+Cl"	33.962126
"538207"	1736.799763	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M-H+Cl"	33.962126
"941204"	590.253963	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-H+Cl"	33.962126
"280125"	2328.061002	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+Cl"	34.969402
"672546"	3474.606802	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+Cl"	34.969402
"1283855"	1181.515202	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Cl"	34.969402
"29941"	2330.040206	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M-2H+K"	36.948606
"470605"	3476.586006	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M-2H+K"	36.948606
"848044"	1183.494406	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-2H+K"	36.948606
"1570798"	1183.494406	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+K-2H"	36.948606
"957467"	1191.543994	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-H+HCOOH"	44.998194
"376291"	2338.089801	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+HCOOH-H"	44.998201
"359929"	2352.105451	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+Hac-H"	59.013851
"1498430"	1205.559651	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Hac-H"	59.013851
"970344"	1213.525951	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-H+NaCOOH"	66.980151
"112692"	1181.515202	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+2Cl"	69.938804
"558815"	1754.788102	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+2Cl"	69.938804
"1027613"	608.242302	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2Cl"	69.938804
"1242817"	1225.464685	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Br"	78.918885
"1310732"	1227.520672	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Cl+HCOOH"	80.974872
"1320573"	1249.502629	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Cl+NaCOOH"	102.956829
"911631"	1259.531386	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M-H+CF3COOH"	112.985586
"1292717"	1295.508064	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Cl+CF3COOH"	148.962264
"1381579"	1111.533124	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H-2H2O"	-35.012676
"1397124"	1129.5431	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H-H2O"	-17.0027
"295718"	2294.098876	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+H"	1.007276
"690774"	3440.644676	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+H"	1.007276
"1365590"	1147.553076	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H"	1.007276
"137377"	1147.553076	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+2H"	2.014552
"574751"	1720.825976	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+2H"	2.014552
"1046832"	574.280176	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2H"	2.014552
"216565"	765.371142666667	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+3H"	3.021828
"655396"	1147.553076	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+3H"	3.021828
"1174613"	383.189209333333	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+3H"	3.021828
"434604"	2311.125423	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+NH4"	18.033823
"790133"	3457.671223	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+NH4"	18.033823
"1688651"	1164.579623	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+NH4"	18.033823
"339115"	1156.0663495	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+H+NH4"	19.041099
"733724"	1729.3392495	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+H+NH4"	19.041099
"1484263"	582.7934495	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H+NH4"	19.041099
"404036"	2316.080818	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+Na"	22.989218
"766857"	3462.626618	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+Na"	22.989218
"1613129"	1169.535018	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Na"	22.989218
"326814"	1158.544047	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+H+Na"	23.996494
"716682"	1731.816947	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+H+Na"	23.996494
"1472691"	585.271147	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H+Na"	23.996494
"1063746"	390.516523333333	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2H+Na"	25.00377
"1258140"	1179.579286	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+CH3OH+H"	33.033486
"377809"	2332.054758	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+K"	38.963158
"739896"	3478.600558	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+K"	38.963158
"1541219"	1185.508958	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+K"	38.963158
"303135"	1166.531017	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+H+K"	39.970434
"694464"	1739.803917	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+H+K"	39.970434
"1450839"	593.258117	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H+K"	39.970434
"239805"	2335.125426	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+ACN+H"	42.033826
"1214702"	1188.579626	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+ACN+H"	42.033826
"1196398"	594.793451	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+ACN+2H"	43.041102
"195104"	2338.06276	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+2Na-H"	44.97116
"633935"	3484.60856	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+2Na-H"	44.97116
"1141451"	1191.51696	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2Na-H"	44.97116
"175626"	1169.535018	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+2Na"	45.978436
"621022"	1742.807918	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+2Na"	45.978436
"1121247"	596.262118	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2Na"	45.978436
"1401852"	397.843837333333	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H+2Na"	46.985712
"1433969"	1193.558546	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H+HCOOH"	47.012746
"225498"	1174.56804	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+3H2O+2H"	56.04448
"1515748"	1207.61059	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+IsoProp+H"	61.06479
"414339"	1177.521988	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+Na+K"	61.952376
"779706"	1750.794888	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+Na+K"	61.952376
"1668386"	604.249088	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Na+K"	61.952376
"251747"	2357.107368	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+ACN+Na"	64.015768
"1228341"	1210.561568	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+ACN+Na"	64.015768
"1714675"	1210.585093	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+NH4+HCOOH"	64.039293
"1180757"	405.171151333333	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+3Na"	68.967654
"1649871"	1215.540488	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Na+HCOOH"	68.994688
"158481"	2370.01064	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+2K-H"	76.91904
"597598"	3516.55644	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+2K-H"	76.91904
"1090338"	1223.46484	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2K-H"	76.91904
"144967"	1185.508958	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"2M+2K"	77.926316
"584526"	1758.781858	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"3M+2K"	77.926316
"1074509"	612.236058	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2K"	77.926316
"1108813"	1225.479392	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2K+H"	78.933592
"1351158"	1225.567007	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+DMSO+H"	79.021207
"1021302"	1229.606176	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2ACN+H"	83.060376
"1539822"	1230.599808	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+IsoProp+Na+H"	84.054008
"1005517"	615.306726	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+2ACN+2H"	84.067652
"1599370"	1231.514428	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+K+HCOOH"	84.968628
"1429285"	1261.545938	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+H+CF3COOH"	115.000138
"1161881"	635.820001	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+3ACN+2H"	125.094202
"1712163"	1278.572485	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+NH4+CF3COOH"	132.026685
"1644896"	1283.52788	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+Na+CF3COOH"	136.98208
"1580547"	1299.50182	"C08933"	"Camellidin I"	"C55H86O25"	"1146.5458"	"M+K+CF3COOH"	152.95602
"807633"	1104.5353	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M"	0
"983355"	1085.51691	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-H2O-H"	-19.01839
"67222"	735.349590666667	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M-3H"	-3.021828
"507876"	1103.528024	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M-3H"	-3.021828
"880816"	367.171157333333	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-3H"	-3.021828
"1454"	1103.528024	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M-2H"	-2.014552
"440520"	1655.795674	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M-2H"	-2.014552
"817956"	551.260374	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-2H"	-2.014552
"80873"	2208.063324	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M-H"	-1.007276
"520194"	3312.598624	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M-H"	-1.007276
"897385"	1103.528024	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-H"	-1.007276
"49701"	2225.089871	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M-2H+NH4"	16.019271
"489623"	3329.625171	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M-2H+NH4"	16.019271
"867791"	1120.554571	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-2H+NH4"	16.019271
"35325"	2230.045266	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M-2H+Na"	20.974666
"473430"	3334.580566	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M-2H+Na"	20.974666
"853421"	1125.509966	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-2H+Na"	20.974666
"1623322"	1125.509966	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Na-2H"	20.974666
"100947"	1121.516363	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M-H+Cl"	33.962126
"540505"	1673.784013	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M-H+Cl"	33.962126
"940464"	569.248713	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-H+Cl"	33.962126
"279142"	2244.040002	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+Cl"	34.969402
"672656"	3348.575302	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+Cl"	34.969402
"1283965"	1139.504702	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Cl"	34.969402
"29929"	2246.019206	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M-2H+K"	36.948606
"469987"	3350.554506	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M-2H+K"	36.948606
"847305"	1141.483906	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-2H+K"	36.948606
"1570908"	1141.483906	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+K-2H"	36.948606
"957454"	1149.533494	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-H+HCOOH"	44.998194
"376400"	2254.068801	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+HCOOH-H"	44.998201
"360645"	2268.084451	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+Hac-H"	59.013851
"1499633"	1163.549151	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Hac-H"	59.013851
"969726"	1171.515451	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-H+NaCOOH"	66.980151
"113894"	1139.504702	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+2Cl"	69.938804
"556738"	1691.772352	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+2Cl"	69.938804
"1024443"	587.237052	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2Cl"	69.938804
"1242317"	1183.454185	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Br"	78.918885
"1306588"	1185.510172	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Cl+HCOOH"	80.974872
"1321407"	1207.492129	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Cl+NaCOOH"	102.956829
"911860"	1217.520886	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M-H+CF3COOH"	112.985586
"1292827"	1253.497564	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Cl+CF3COOH"	148.962264
"1382056"	1069.522624	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H-2H2O"	-35.012676
"1397482"	1087.5326	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H-H2O"	-17.0027
"294736"	2210.077876	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+H"	1.007276
"689709"	3314.613176	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+H"	1.007276
"1365699"	1105.542576	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H"	1.007276
"137123"	1105.542576	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+2H"	2.014552
"574861"	1657.810226	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+2H"	2.014552
"1051447"	553.274926	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2H"	2.014552
"218131"	737.364142666667	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+3H"	3.021828
"656600"	1105.542576	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+3H"	3.021828
"1174724"	369.185709333333	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+3H"	3.021828
"434715"	2227.104423	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+NH4"	18.033823
"792430"	3331.639723	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+NH4"	18.033823
"1690948"	1122.569123	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+NH4"	18.033823
"338132"	1114.0558495	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+H+NH4"	19.041099
"733834"	1666.3234995	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+H+NH4"	19.041099
"1488748"	561.7881995	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H+NH4"	19.041099
"405241"	2232.059818	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+Na"	22.989218
"764051"	3336.595118	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+Na"	22.989218
"1615793"	1127.524518	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Na"	22.989218
"321092"	1116.533547	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+H+Na"	23.996494
"716793"	1668.801197	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+H+Na"	23.996494
"1471705"	564.265897	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H+Na"	23.996494
"1055110"	376.513023333333	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2H+Na"	25.00377
"1257430"	1137.568786	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+CH3OH+H"	33.033486
"377675"	2248.033758	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+K"	38.963158
"740370"	3352.569058	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+K"	38.963158
"1542424"	1143.498458	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+K"	38.963158
"299234"	1124.520517	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+H+K"	39.970434
"694574"	1676.788167	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+H+K"	39.970434
"1449491"	572.252867	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H+K"	39.970434
"243562"	2251.104426	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+ACN+H"	42.033826
"1214813"	1146.569126	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+ACN+H"	42.033826
"1198696"	573.788201	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+ACN+2H"	43.041102
"194120"	2254.04176	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+2Na-H"	44.97116
"631493"	3358.57706	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+2Na-H"	44.97116
"1132445"	1149.50646	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2Na-H"	44.97116
"178289"	1127.524518	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+2Na"	45.978436
"620039"	1679.792168	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+2Na"	45.978436
"1123544"	575.256868	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2Na"	45.978436
"1402692"	383.840337333333	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H+2Na"	46.985712
"1434810"	1151.548046	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H+HCOOH"	47.012746
"225607"	1132.55754	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+3H2O+2H"	56.04448
"1514764"	1165.60009	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+IsoProp+H"	61.06479
"414449"	1135.511488	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+Na+K"	61.952376
"776536"	1687.779138	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+Na+K"	61.952376
"1668496"	583.243838	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Na+K"	61.952376
"252825"	2273.086368	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+ACN+Na"	64.015768
"1228447"	1168.551068	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+ACN+Na"	64.015768
"1714053"	1168.574593	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+NH4+HCOOH"	64.039293
"1183060"	391.167651333333	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+3Na"	68.967654
"1655505"	1173.529988	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Na+HCOOH"	68.994688
"158720"	2285.98964	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+2K-H"	76.91904
"605937"	3390.52494	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+2K-H"	76.91904
"1093731"	1181.45434	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2K-H"	76.91904
"149453"	1143.498458	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"2M+2K"	77.926316
"584636"	1695.766108	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"3M+2K"	77.926316
"1072432"	591.230808	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2K"	77.926316
"1106737"	1183.468892	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2K+H"	78.933592
"1351305"	1183.556507	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+DMSO+H"	79.021207
"1021288"	1187.595676	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2ACN+H"	83.060376
"1539630"	1188.589308	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+IsoProp+Na+H"	84.054008
"1003883"	594.301476	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+2ACN+2H"	84.067652
"1599480"	1189.503928	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+K+HCOOH"	84.968628
"1427328"	1219.535438	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+H+CF3COOH"	115.000138
"1156523"	614.814751	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+3ACN+2H"	125.094202
"1712397"	1236.561985	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+NH4+CF3COOH"	132.026685
"1648286"	1241.51738	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+Na+CF3COOH"	136.98208
"1580657"	1257.49132	"C08934"	"Camellidin II"	"C53H84O24"	"1104.5353"	"M+K+CF3COOH"	152.95602
"807743"	674.3666	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M"	0
"977993"	655.34821	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-H2O-H"	-19.01839
"67331"	448.570457333333	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M-3H"	-3.021828
"507986"	673.359324	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M-3H"	-3.021828
"882506"	223.781590666667	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-3H"	-3.021828
"3994"	673.359324	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M-2H"	-2.014552
"440306"	1010.542624	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M-2H"	-2.014552
"817501"	336.176024	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-2H"	-2.014552
"79647"	1347.725924	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M-H"	-1.007276
"522370"	2022.092524	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M-H"	-1.007276
"896767"	673.359324	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-H"	-1.007276
"52726"	1364.752471	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M-2H+NH4"	16.019271
"490462"	2039.119071	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M-2H+NH4"	16.019271
"868995"	690.385871	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-2H+NH4"	16.019271
"36164"	1369.707866	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M-2H+Na"	20.974666
"474634"	2044.074466	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M-2H+Na"	20.974666
"854260"	695.341266	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-2H+Na"	20.974666
"1625253"	695.341266	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Na-2H"	20.974666
"103243"	691.347663	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M-H+Cl"	33.962126
"540615"	1028.530963	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M-H+Cl"	33.962126
"941061"	354.164363	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-H+Cl"	33.962126
"279251"	1383.702602	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+Cl"	34.969402
"670579"	2058.069202	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+Cl"	34.969402
"1285168"	709.336002	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Cl"	34.969402
"25540"	1385.681806	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M-2H+K"	36.948606
"469486"	2060.048406	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M-2H+K"	36.948606
"846556"	711.315206	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-2H+K"	36.948606
"1570290"	711.315206	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+K-2H"	36.948606
"955009"	719.364794	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-H+HCOOH"	44.998194
"375779"	1393.731401	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+HCOOH-H"	44.998201
"359294"	1407.747051	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+Hac-H"	59.013851
"1495370"	733.380451	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Hac-H"	59.013851
"965097"	741.346751	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-H+NaCOOH"	66.980151
"112546"	709.336002	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+2Cl"	69.938804
"557942"	1046.519302	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+2Cl"	69.938804
"1022730"	372.152702	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2Cl"	69.938804
"1245221"	753.285485	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Br"	78.918885
"1307670"	755.341472	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Cl+HCOOH"	80.974872
"1321884"	777.323429	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Cl+NaCOOH"	102.956829
"912577"	787.352186	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M-H+CF3COOH"	112.985586
"1295123"	823.328864	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Cl+CF3COOH"	148.962264
"1381803"	639.353924	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H-2H2O"	-35.012676
"1397229"	657.3639	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H-H2O"	-17.0027
"295938"	1349.740476	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+H"	1.007276
"688358"	2024.107076	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+H"	1.007276
"1365441"	675.373876	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H"	1.007276
"137597"	675.373876	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+2H"	2.014552
"571691"	1012.557176	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+2H"	2.014552
"1052040"	338.190576	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2H"	2.014552
"217876"	450.585009333333	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+3H"	3.021828
"659504"	675.373876	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+3H"	3.021828
"1174834"	225.796142666667	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+3H"	3.021828
"435918"	1366.767023	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+NH4"	18.033823
"792540"	2041.133623	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+NH4"	18.033823
"1693245"	692.400423	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+NH4"	18.033823
"340428"	683.8871495	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+H+NH4"	19.041099
"733944"	1021.0704495	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+H+NH4"	19.041099
"1488858"	346.7038495	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H+NH4"	19.041099
"404256"	1371.722418	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+Na"	22.989218
"766347"	2046.089018	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+Na"	22.989218
"1616996"	697.355818	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Na"	22.989218
"320109"	686.364847	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+H+Na"	23.996494
"715810"	1023.548147	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+H+Na"	23.996494
"1472908"	349.181547	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H+Na"	23.996494
"1057406"	233.123456666667	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2H+Na"	25.00377
"1257993"	707.400086	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+CH3OH+H"	33.033486
"379850"	1387.696358	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+K"	38.963158
"741938"	2062.062958	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+K"	38.963158
"1545085"	713.329758	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+K"	38.963158
"304447"	694.351817	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+H+K"	39.970434
"696142"	1031.535117	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+H+K"	39.970434
"1449966"	357.168517	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H+K"	39.970434
"244036"	1390.767026	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+ACN+H"	42.033826
"1214193"	716.400426	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+ACN+H"	42.033826
"1200264"	358.703851	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+ACN+2H"	43.041102
"192770"	1393.70436	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+2Na-H"	44.97116
"630263"	2068.07096	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+2Na-H"	44.97116
"1134376"	719.33776	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2Na-H"	44.97116
"178398"	697.355818	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+2Na"	45.978436
"620149"	1034.539118	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+2Na"	45.978436
"1121467"	360.172518	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2Na"	45.978436
"1403167"	240.450770666667	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H+2Na"	46.985712
"1436013"	721.379346	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H+HCOOH"	47.012746
"223529"	702.38884	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+3H2O+2H"	56.04448
"1510862"	735.43139	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+IsoProp+H"	61.06479
"412369"	705.342788	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+Na+K"	61.952376
"777009"	1042.526088	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+Na+K"	61.952376
"1665846"	368.159488	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Na+K"	61.952376
"252207"	1412.748968	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+ACN+Na"	64.015768
"1228559"	738.382368	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+ACN+Na"	64.015768
"1714281"	738.405893	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+NH4+HCOOH"	64.039293
"1182441"	247.778084666667	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+3Na"	68.967654
"1654522"	743.361288	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Na+HCOOH"	68.994688
"159923"	1425.65224	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+2K-H"	76.91904
"607140"	2100.01884	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+2K-H"	76.91904
"1094934"	751.28564	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2K-H"	76.91904
"145188"	713.329758	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"2M+2K"	77.926316
"583653"	1050.513058	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"3M+2K"	77.926316
"1074728"	376.146458	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2K"	77.926316
"1105753"	753.300192	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2K+H"	78.933592
"1351101"	753.387807	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+DMSO+H"	79.021207
"1020640"	757.426976	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2ACN+H"	83.060376
"1539250"	758.420608	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+IsoProp+Na+H"	84.054008
"1003993"	379.217126	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+2ACN+2H"	84.067652
"1598497"	759.335228	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+K+HCOOH"	84.968628
"1426345"	789.366738	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+H+CF3COOH"	115.000138
"1156633"	399.730401	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+3ACN+2H"	125.094202
"1711658"	806.393285	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+NH4+CF3COOH"	132.026685
"1648396"	811.34868	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+Na+CF3COOH"	136.98208
"1580767"	827.32262	"C08935"	"Cimicifugoside"	"C37H54O11"	"674.3666"	"M+K+CF3COOH"	152.95602
"807853"	940.5032	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M"	0
"975066"	921.48481	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-H2O-H"	-19.01839
"63429"	625.994857333333	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M-3H"	-3.021828
"508096"	939.495924	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M-3H"	-3.021828
"881523"	312.493790666667	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-3H"	-3.021828
"1553"	939.495924	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M-2H"	-2.014552
"440174"	1409.747524	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M-2H"	-2.014552
"817081"	469.244324	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-2H"	-2.014552
"79636"	1879.999124	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M-H"	-1.007276
"521387"	2820.502324	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M-H"	-1.007276
"898093"	939.495924	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-H"	-1.007276
"51379"	1897.025671	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M-2H+NH4"	16.019271
"489479"	2837.528871	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M-2H+NH4"	16.019271
"868741"	956.522471	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-2H+NH4"	16.019271
"34817"	1901.981066	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M-2H+Na"	20.974666
"476569"	2842.484266	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M-2H+Na"	20.974666
"855099"	961.477866	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-2H+Na"	20.974666
"1622811"	961.477866	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Na-2H"	20.974666
"101165"	957.484263	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M-H+Cl"	33.962126
"541818"	1427.735863	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M-H+Cl"	33.962126
"942508"	487.232663	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-H+Cl"	33.962126
"278267"	1915.975802	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+Cl"	34.969402
"671782"	2856.479002	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+Cl"	34.969402
"1285278"	975.472602	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Cl"	34.969402
"25650"	1917.955006	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M-2H+K"	36.948606
"459741"	2858.458206	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M-2H+K"	36.948606
"847394"	977.451806	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-2H+K"	36.948606
"1568694"	977.451806	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+K-2H"	36.948606
"955118"	985.501394	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-H+HCOOH"	44.998194
"376617"	1926.004601	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+HCOOH-H"	44.998201
"356488"	1940.020251	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+Hac-H"	59.013851
"1496573"	999.517051	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Hac-H"	59.013851
"965207"	1007.483351	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-H+NaCOOH"	66.980151
"120675"	975.472602	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+2Cl"	69.938804
"553673"	1445.724202	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+2Cl"	69.938804
"1023569"	505.221002	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2Cl"	69.938804
"1242414"	1019.422085	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Br"	78.918885
"1307779"	1021.478072	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Cl+HCOOH"	80.974872
"1321264"	1043.460029	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Cl+NaCOOH"	102.956829
"912689"	1053.488786	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M-H+CF3COOH"	112.985586
"1293046"	1089.465464	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Cl+CF3COOH"	148.962264
"1380329"	905.490524	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H-2H2O"	-35.012676
"1396365"	923.5005	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H-H2O"	-17.0027
"292768"	1882.013676	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+H"	1.007276
"686281"	2822.516876	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+H"	1.007276
"1363362"	941.510476	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H"	1.007276
"133332"	941.510476	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+2H"	2.014552
"571801"	1411.762076	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+2H"	2.014552
"1050814"	471.258876	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2H"	2.014552
"215070"	628.009409333333	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+3H"	3.021828
"658639"	941.510476	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+3H"	3.021828
"1176766"	314.508342666667	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+3H"	3.021828
"436028"	1899.040223	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+NH4"	18.033823
"792650"	2839.543423	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+NH4"	18.033823
"1691168"	958.537023	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+NH4"	18.033823
"338351"	950.0237495	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+H+NH4"	19.041099
"735148"	1420.2753495	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+H+NH4"	19.041099
"1485687"	479.7721495	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H+NH4"	19.041099
"401087"	1903.995618	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+Na"	22.989218
"765363"	2844.498818	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+Na"	22.989218
"1616741"	963.492418	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Na"	22.989218
"322406"	952.501447	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+H+Na"	23.996494
"717014"	1422.753047	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+H+Na"	23.996494
"1473018"	482.249847	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H+Na"	23.996494
"1057516"	321.835656666667	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2H+Na"	25.00377
"1258833"	973.536686	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+CH3OH+H"	33.033486
"383240"	1919.969558	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+K"	38.963158
"746422"	2860.472758	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+K"	38.963158
"1547382"	979.466358	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+K"	38.963158
"306744"	960.488417	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+H+K"	39.970434
"696981"	1430.740017	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+H+K"	39.970434
"1450076"	490.236817	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H+K"	39.970434
"243782"	1923.040226	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+ACN+H"	42.033826
"1217587"	982.537026	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+ACN+H"	42.033826
"1201468"	491.772151	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+ACN+2H"	43.041102
"193245"	1925.97756	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+2Na-H"	44.97116
"630619"	2866.48076	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+2Na-H"	44.97116
"1138501"	985.47436	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2Na-H"	44.97116
"181062"	963.492418	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+2Na"	45.978436
"621352"	1433.744018	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+2Na"	45.978436
"1124857"	493.240818	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2Na"	45.978436
"1402913"	329.162970666667	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H+2Na"	46.985712
"1438310"	987.515946	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H+HCOOH"	47.012746
"228013"	968.52544	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+3H2O+2H"	56.04448
"1517169"	1001.56799	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+IsoProp+H"	61.06479
"412115"	971.479388	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+Na+K"	61.952376
"775296"	1441.730988	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+Na+K"	61.952376
"1667622"	501.227788	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Na+K"	61.952376
"251708"	1945.022168	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+ACN+Na"	64.015768
"1227576"	1004.518968	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+ACN+Na"	64.015768
"1714273"	1004.542493	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+NH4+HCOOH"	64.039293
"1187657"	336.490284666667	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+3Na"	68.967654
"1657913"	1009.497888	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Na+HCOOH"	68.994688
"165504"	1957.92544	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+2K-H"	76.91904
"603970"	2898.42864	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+2K-H"	76.91904
"1095044"	1017.42224	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2K-H"	76.91904
"147485"	979.466358	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"2M+2K"	77.926316
"583763"	1449.717958	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"3M+2K"	77.926316
"1074838"	509.214758	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2K"	77.926316
"1109143"	1019.436792	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2K+H"	78.933592
"1350771"	1019.524407	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+DMSO+H"	79.021207
"1019529"	1023.563576	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2ACN+H"	83.060376
"1539236"	1024.557208	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+IsoProp+Na+H"	84.054008
"1004103"	512.285426	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+2ACN+2H"	84.067652
"1598607"	1025.471828	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+K+HCOOH"	84.968628
"1427548"	1055.503338	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+H+CF3COOH"	115.000138
"1157836"	532.798701	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+3ACN+2H"	125.094202
"1712011"	1072.529885	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+NH4+CF3COOH"	132.026685
"1648506"	1077.48528	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+Na+CF3COOH"	136.98208
"1574680"	1093.45922	"C08936"	"Colubrin"	"C48H76O18"	"940.5032"	"M+K+CF3COOH"	152.95602
"807963"	982.5137	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M"	0
"974412"	963.49531	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-H2O-H"	-19.01839
"63898"	654.001857333333	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M-3H"	-3.021828
"502955"	981.506424	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M-3H"	-3.021828
"881633"	326.497290666667	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-3H"	-3.021828
"79"	981.506424	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M-2H"	-2.014552
"440974"	1472.763274	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M-2H"	-2.014552
"817309"	490.249574	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-2H"	-2.014552
"80836"	1964.020124	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M-H"	-1.007276
"520766"	2946.533824	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M-H"	-1.007276
"898567"	981.506424	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-H"	-1.007276
"50759"	1981.046671	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M-2H+NH4"	16.019271
"489224"	2963.560371	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M-2H+NH4"	16.019271
"864958"	998.532971	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-2H+NH4"	16.019271
"33103"	1986.002066	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M-2H+Na"	20.974666
"475950"	2968.515766	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M-2H+Na"	20.974666
"854116"	1003.488366	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-2H+Na"	20.974666
"1624744"	1003.488366	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Na-2H"	20.974666
"98359"	999.494763	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M-H+Cl"	33.962126
"540835"	1490.751613	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M-H+Cl"	33.962126
"940915"	508.237913	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-H+Cl"	33.962126
"279471"	1999.996802	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+Cl"	34.969402
"669706"	2982.510502	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+Cl"	34.969402
"1284295"	1017.483102	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Cl"	34.969402
"25760"	2001.976006	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M-2H+K"	36.948606
"463132"	2984.489706	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M-2H+K"	36.948606
"846410"	1019.462306	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-2H+K"	36.948606
"1568440"	1019.462306	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+K-2H"	36.948606
"953406"	1027.511894	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-H+HCOOH"	44.998194
"376365"	2010.025601	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+HCOOH-H"	44.998201
"357327"	2024.041251	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+Hac-H"	59.013851
"1498869"	1041.527551	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Hac-H"	59.013851
"963130"	1049.493851	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-H+NaCOOH"	66.980151
"114223"	1017.483102	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+2Cl"	69.938804
"551597"	1508.739952	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+2Cl"	69.938804
"1023679"	526.226252	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2Cl"	69.938804
"1243253"	1061.432585	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Br"	78.918885
"1306067"	1063.488572	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Cl+HCOOH"	80.974872
"1320399"	1085.470529	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Cl+NaCOOH"	102.956829
"911581"	1095.499286	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M-H+CF3COOH"	112.985586
"1293156"	1131.475964	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Cl+CF3COOH"	148.962264
"1381168"	947.501024	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H-2H2O"	-35.012676
"1396839"	965.511	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H-H2O"	-17.0027
"292878"	1966.034676	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+H"	1.007276
"687484"	2948.548376	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+H"	1.007276
"1362015"	983.520976	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H"	1.007276
"133442"	983.520976	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+2H"	2.014552
"570817"	1474.777826	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+2H"	2.014552
"1049463"	492.264126	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2H"	2.014552
"215180"	656.016409333333	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+3H"	3.021828
"656562"	983.520976	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+3H"	3.021828
"1168492"	328.511842666667	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+3H"	3.021828
"433950"	1983.061223	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+NH4"	18.033823
"792760"	2965.574923	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+NH4"	18.033823
"1692370"	1000.547523	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+NH4"	18.033823
"341741"	992.0342495	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+H+NH4"	19.041099
"730885"	1483.2910995	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+H+NH4"	19.041099
"1482517"	500.7773995	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H+NH4"	19.041099
"397917"	1988.016618	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+Na"	22.989218
"763287"	2970.530318	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+Na"	22.989218
"1615757"	1005.502918	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Na"	22.989218
"321423"	994.511947	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+H+Na"	23.996494
"712750"	1485.768797	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+H+Na"	23.996494
"1473128"	503.255097	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H+Na"	23.996494
"1057626"	335.839156666667	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2H+Na"	25.00377
"1257848"	1015.547186	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+CH3OH+H"	33.033486
"379340"	2003.990558	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+K"	38.963158
"740698"	2986.504258	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+K"	38.963158
"1542023"	1021.476858	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+K"	38.963158
"305760"	1002.498917	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+H+K"	39.970434
"693808"	1493.755767	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+H+K"	39.970434
"1446901"	511.242067	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H+K"	39.970434
"239880"	2007.061226	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+ACN+H"	42.033826
"1215507"	1024.547526	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+ACN+H"	42.033826
"1201578"	512.777401	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+ACN+2H"	43.041102
"190803"	2009.99856	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+2Na-H"	44.97116
"630850"	2992.51226	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+2Na-H"	44.97116
"1140797"	1027.48486	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2Na-H"	44.97116
"181901"	1005.502918	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+2Na"	45.978436
"616357"	1496.759768	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+2Na"	45.978436
"1121687"	514.246068	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2Na"	45.978436
"1401930"	343.166470666667	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H+2Na"	46.985712
"1434046"	1029.526446	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H+HCOOH"	47.012746
"221925"	1010.53594	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+3H2O+2H"	56.04448
"1508771"	1043.57849	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+IsoProp+H"	61.06479
"412590"	1013.489888	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+Na+K"	61.952376
"771033"	1504.746738	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+Na+K"	61.952376
"1665905"	522.233038	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Na+K"	61.952376
"251477"	2029.043168	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+ACN+Na"	64.015768
"1227685"	1046.529468	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+ACN+Na"	64.015768
"1715110"	1046.552993	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+NH4+HCOOH"	64.039293
"1187767"	350.493784666667	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+3Na"	68.967654
"1658752"	1051.508388	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Na+HCOOH"	68.994688
"165978"	2041.94644	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+2K-H"	76.91904
"605173"	3024.46014	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+2K-H"	76.91904
"1095154"	1059.43274	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2K-H"	76.91904
"150874"	1021.476858	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"2M+2K"	77.926316
"584237"	1512.733708	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"3M+2K"	77.926316
"1074948"	530.220008	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2K"	77.926316
"1107066"	1061.447292	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2K+H"	78.933592
"1351120"	1061.534907	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+DMSO+H"	79.021207
"1019639"	1065.574076	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2ACN+H"	83.060376
"1538494"	1066.567708	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+IsoProp+Na+H"	84.054008
"1004214"	533.290676	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+2ACN+2H"	84.067652
"1598717"	1067.482328	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+K+HCOOH"	84.968628
"1427658"	1097.513838	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+H+CF3COOH"	115.000138
"1157946"	553.803951	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+3ACN+2H"	125.094202
"1711874"	1114.540385	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+NH4+CF3COOH"	132.026685
"1646429"	1119.49578	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+Na+CF3COOH"	136.98208
"1574790"	1135.46972	"C08937"	"Colubrinoside"	"C50H78O19"	"982.5137"	"M+K+CF3COOH"	152.95602
"808073"	1222.5982	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M"	0
"976138"	1203.57981	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-H2O-H"	-19.01839
"65104"	814.058190666667	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M-3H"	-3.021828
"503247"	1221.590924	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M-3H"	-3.021828
"882836"	406.525457333333	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-3H"	-3.021828
"2502"	1221.590924	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M-2H"	-2.014552
"440965"	1832.890024	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M-2H"	-2.014552
"818038"	610.291824	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-2H"	-2.014552
"80218"	2444.189124	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M-H"	-1.007276
"521241"	3666.787324	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M-H"	-1.007276
"899405"	1221.590924	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-H"	-1.007276
"50870"	2461.215671	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M-2H+NH4"	16.019271
"489331"	3683.813871	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M-2H+NH4"	16.019271
"866770"	1238.617471	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-2H+NH4"	16.019271
"34304"	2466.171066	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M-2H+Na"	20.974666
"475696"	3688.769266	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M-2H+Na"	20.974666
"853133"	1243.572866	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-2H+Na"	20.974666
"1623761"	1243.572866	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Na-2H"	20.974666
"97012"	1239.579263	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M-H+Cl"	33.962126
"538758"	1850.878363	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M-H+Cl"	33.962126
"938839"	628.280163	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-H+Cl"	33.962126
"278488"	2480.165802	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+Cl"	34.969402
"667629"	3702.764002	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+Cl"	34.969402
"1282219"	1257.567602	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Cl"	34.969402
"25870"	2482.145006	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M-2H+K"	36.948606
"463242"	3704.743206	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M-2H+K"	36.948606
"847574"	1259.546806	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-2H+K"	36.948606
"1568550"	1259.546806	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+K-2H"	36.948606
"954974"	1267.596394	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-H+HCOOH"	44.998194
"376109"	2490.194601	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+HCOOH-H"	44.998201
"356344"	2504.210251	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+Hac-H"	59.013851
"1498980"	1281.612051	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Hac-H"	59.013851
"964334"	1289.578351	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-H+NaCOOH"	66.980151
"116521"	1257.567602	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+2Cl"	69.938804
"551706"	1868.866702	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+2Cl"	69.938804
"1023789"	646.268502	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2Cl"	69.938804
"1242026"	1301.517085	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Br"	78.918885
"1305813"	1303.573072	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Cl+HCOOH"	80.974872
"1320105"	1325.555029	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Cl+NaCOOH"	102.956829
"911570"	1335.583786	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M-H+CF3COOH"	112.985586
"1288616"	1371.560464	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Cl+CF3COOH"	148.962264
"1381158"	1187.585524	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H-2H2O"	-35.012676
"1396586"	1205.5955	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H-H2O"	-17.0027
"294812"	2446.203676	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+H"	1.007276
"686502"	3668.801876	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+H"	1.007276
"1360664"	1223.605476	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H"	1.007276
"134645"	1223.605476	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+2H"	2.014552
"572018"	1834.904576	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+2H"	2.014552
"1046657"	612.306376	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2H"	2.014552
"215290"	816.072742666667	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+3H"	3.021828
"654850"	1223.605476	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+3H"	3.021828
"1169695"	408.540009333333	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+3H"	3.021828
"435154"	2463.230223	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+NH4"	18.033823
"796516"	3685.828423	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+NH4"	18.033823
"1692116"	1240.632023	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+NH4"	18.033823
"337479"	1232.1187495	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+H+NH4"	19.041099
"729901"	1843.4178495	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+H+NH4"	19.041099
"1484814"	620.8196495	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H+NH4"	19.041099
"400212"	2468.185618	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+Na"	22.989218
"762304"	3690.783818	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+Na"	22.989218
"1614411"	1245.587418	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Na"	22.989218
"323716"	1234.596447	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+H+Na"	23.996494
"717231"	1845.895547	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+H+Na"	23.996494
"1468864"	623.297347	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H+Na"	23.996494
"1054820"	415.867323333333	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2H+Na"	25.00377
"1262699"	1255.631686	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+CH3OH+H"	33.033486
"381274"	2484.159558	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+K"	38.963158
"745548"	3706.757758	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+K"	38.963158
"1544321"	1261.561358	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+K"	38.963158
"302590"	1242.583417	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+H+K"	39.970434
"691728"	1853.882517	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+H+K"	39.970434
"1446647"	631.284317	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H+K"	39.970434
"239626"	2487.230226	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+ACN+H"	42.033826
"1213430"	1264.632026	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+ACN+H"	42.033826
"1196583"	632.819651	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+ACN+2H"	43.041102
"191643"	2490.16756	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+2Na-H"	44.97116
"631205"	3712.76576	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+2Na-H"	44.97116
"1138721"	1267.56936	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2Na-H"	44.97116
"184200"	1245.587418	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+2Na"	45.978436
"617562"	1856.886518	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+2Na"	45.978436
"1125077"	634.288318	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2Na"	45.978436
"1402040"	423.194637333333	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H+2Na"	46.985712
"1436343"	1269.610946	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H+HCOOH"	47.012746
"224952"	1250.62044	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+3H2O+2H"	56.04448
"1511191"	1283.66299	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+IsoProp+H"	61.06479
"411606"	1253.574388	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+Na+K"	61.952376
"770776"	1864.873488	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+Na+K"	61.952376
"1665732"	642.275288	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Na+K"	61.952376
"253261"	2509.212168	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+ACN+Na"	64.015768
"1227429"	1286.613968	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+ACN+Na"	64.015768
"1714125"	1286.637493	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+NH4+HCOOH"	64.039293
"1187878"	430.521951333333	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+3Na"	68.967654
"1658862"	1291.592888	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Na+HCOOH"	68.994688
"165724"	2522.11544	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+2K-H"	76.91904
"605283"	3744.71364	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+2K-H"	76.91904
"1094171"	1299.51724	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2K-H"	76.91904
"148798"	1261.561358	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"2M+2K"	77.926316
"586170"	1872.860458	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"3M+2K"	77.926316
"1075058"	650.262258	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2K"	77.926316
"1107176"	1301.531792	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2K+H"	78.933592
"1351229"	1301.619407	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+DMSO+H"	79.021207
"1018656"	1305.658576	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2ACN+H"	83.060376
"1536780"	1306.652208	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+IsoProp+Na+H"	84.054008
"1002137"	653.332926	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+2ACN+2H"	84.067652
"1602112"	1307.566828	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+K+HCOOH"	84.968628
"1426675"	1337.598338	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+H+CF3COOH"	115.000138
"1154777"	673.846201	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+3ACN+2H"	125.094202
"1710891"	1354.624885	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+NH4+CF3COOH"	132.026685
"1646539"	1359.58028	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+Na+CF3COOH"	136.98208
"1574900"	1375.55422	"C08938"	"Cyclamin"	"C58H94O27"	"1222.5982"	"M+K+CF3COOH"	152.95602
"808183"	932.5345	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M"	0
"976248"	913.51611	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-H2O-H"	-19.01839
"63999"	620.682390666667	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M-3H"	-3.021828
"504168"	931.527224	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M-3H"	-3.021828
"881853"	309.837557333333	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-3H"	-3.021828
"1027"	931.527224	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M-2H"	-2.014552
"440342"	1397.794474	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M-2H"	-2.014552
"819117"	465.259974	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-2H"	-2.014552
"80694"	1864.061724	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M-H"	-1.007276
"523174"	2796.596224	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M-H"	-1.007276
"898422"	931.527224	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-H"	-1.007276
"52802"	1881.088271	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M-2H+NH4"	16.019271
"488713"	2813.622771	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M-2H+NH4"	16.019271
"866271"	948.553771	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-2H+NH4"	16.019271
"32951"	1886.043666	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M-2H+Na"	20.974666
"477259"	2818.578166	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M-2H+Na"	20.974666
"855429"	953.509166	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-2H+Na"	20.974666
"1624964"	953.509166	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Na-2H"	20.974666
"100401"	949.515563	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M-H+Cl"	33.962126
"537774"	1415.782813	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M-H+Cl"	33.962126
"938949"	483.248313	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-H+Cl"	33.962126
"279692"	1900.038402	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+Cl"	34.969402
"671020"	2832.572902	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+Cl"	34.969402
"1282329"	967.503902	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Cl"	34.969402
"27074"	1902.017606	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M-2H+K"	36.948606
"462259"	2834.552106	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M-2H+K"	36.948606
"847357"	969.483106	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-2H+K"	36.948606
"1570531"	969.483106	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+K-2H"	36.948606
"957929"	977.532694	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-H+HCOOH"	44.998194
"376223"	1910.067201	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+HCOOH-H"	44.998201
"359734"	1924.082851	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+Hac-H"	59.013851
"1501277"	991.548351	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Hac-H"	59.013851
"965536"	999.514651	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-H+NaCOOH"	66.980151
"117724"	967.503902	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+2Cl"	69.938804
"555097"	1433.771152	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+2Cl"	69.938804
"1023898"	501.236652	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2Cl"	69.938804
"1244567"	1011.453385	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Br"	78.918885
"1305923"	1013.509372	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Cl+HCOOH"	80.974872
"1321595"	1035.491329	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Cl+NaCOOH"	102.956829
"912412"	1045.520086	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M-H+CF3COOH"	112.985586
"1289237"	1081.496764	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Cl+CF3COOH"	148.962264
"1381751"	897.521824	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H-2H2O"	-35.012676
"1397423"	915.5318	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H-H2O"	-17.0027
"295651"	1866.076276	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+H"	1.007276
"686612"	2798.610776	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+H"	1.007276
"1358587"	933.541776	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H"	1.007276
"133662"	933.541776	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+2H"	2.014552
"572127"	1399.809026	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+2H"	2.014552
"1047495"	467.274526	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2H"	2.014552
"217225"	622.696942666667	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+3H"	3.021828
"657513"	933.541776	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+3H"	3.021828
"1174906"	311.852109333333	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+3H"	3.021828
"434167"	1883.102823	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+NH4"	18.033823
"796626"	2815.637323	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+NH4"	18.033823
"1691497"	950.568323	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+NH4"	18.033823
"339776"	942.0550495	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+H+NH4"	19.041099
"733292"	1408.3222995	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+H+NH4"	19.041099
"1486017"	475.7877995	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H+NH4"	19.041099
"398500"	1888.058218	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+Na"	22.989218
"763506"	2820.592718	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+Na"	22.989218
"1613790"	955.523718	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Na"	22.989218
"324920"	944.532747	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+H+Na"	23.996494
"718435"	1410.799997	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+H+Na"	23.996494
"1464964"	478.265497	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H+Na"	23.996494
"1061127"	319.179423333333	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2H+Na"	25.00377
"1263903"	965.567986	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+CH3OH+H"	33.033486
"383571"	1904.032158	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+K"	38.963158
"745658"	2836.566658	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+K"	38.963158
"1544431"	971.497658	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+K"	38.963158
"304886"	952.519717	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+H+K"	39.970434
"694392"	1418.786967	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+H+K"	39.970434
"1447853"	486.252467	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H+K"	39.970434
"239736"	1907.102826	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+ACN+H"	42.033826
"1214633"	974.568326	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+ACN+H"	42.033826
"1196693"	487.787801	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+ACN+2H"	43.041102
"192118"	1910.04016	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+2Na-H"	44.97116
"635326"	2842.57466	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+2Na-H"	44.97116
"1144299"	977.50566	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2Na-H"	44.97116
"186133"	955.523718	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+2Na"	45.978436
"617308"	1421.790968	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+2Na"	45.978436
"1125188"	489.256468	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2Na"	45.978436
"1405430"	326.506737333333	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H+2Na"	46.985712
"1433173"	979.547246	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H+HCOOH"	47.012746
"225062"	960.55674	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+3H2O+2H"	56.04448
"1510937"	993.59929	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+IsoProp+H"	61.06479
"409001"	963.510688	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+Na+K"	61.952376
"770646"	1429.777938	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+Na+K"	61.952376
"1666084"	497.243438	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Na+K"	61.952376
"251955"	1929.084768	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+ACN+Na"	64.015768
"1227178"	996.550268	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+ACN+Na"	64.015768
"1713874"	996.573793	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+NH4+HCOOH"	64.039293
"1190904"	333.834051333333	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+3Na"	68.967654
"1660065"	1001.529188	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Na+HCOOH"	68.994688
"166927"	1941.98804	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+2K-H"	76.91904
"605393"	2874.52254	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+2K-H"	76.91904
"1096469"	1009.45354	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2K-H"	76.91904
"151095"	971.497658	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"2M+2K"	77.926316
"590655"	1437.764908	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"3M+2K"	77.926316
"1076262"	505.230408	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2K"	77.926316
"1107286"	1011.468092	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2K+H"	78.933592
"1351270"	1011.555707	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+DMSO+H"	79.021207
"1019617"	1015.594876	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2ACN+H"	83.060376
"1536888"	1016.588508	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+IsoProp+Na+H"	84.054008
"1003340"	508.301076	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+2ACN+2H"	84.067652
"1601126"	1017.503128	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+K+HCOOH"	84.968628
"1425692"	1047.534638	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+H+CF3COOH"	115.000138
"1157073"	528.814351	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+3ACN+2H"	125.094202
"1711001"	1064.561185	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+NH4+CF3COOH"	132.026685
"1646649"	1069.51658	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+Na+CF3COOH"	136.98208
"1574646"	1085.49052	"C08939"	"Cyclofoetoside B"	"C47H80O18"	"932.5345"	"M+K+CF3COOH"	152.95602
"808293"	868.482	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M"	0
"978545"	849.46361	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-H2O-H"	-19.01839
"65692"	577.980724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M-3H"	-3.021828
"504522"	867.474724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M-3H"	-3.021828
"882327"	288.486724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-3H"	-3.021828
"2721"	867.474724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M-2H"	-2.014552
"440822"	1301.715724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M-2H"	-2.014552
"820082"	433.233724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-2H"	-2.014552
"79710"	1735.956724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M-H"	-1.007276
"522191"	2604.438724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M-H"	-1.007276
"896951"	867.474724	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-H"	-1.007276
"55098"	1752.983271	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M-2H+NH4"	16.019271
"491741"	2621.465271	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M-2H+NH4"	16.019271
"872460"	884.501271	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-2H+NH4"	16.019271
"35620"	1757.938666	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M-2H+Na"	20.974666
"477368"	2626.420666	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M-2H+Na"	20.974666
"856632"	889.456666	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-2H+Na"	20.974666
"1625074"	889.456666	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Na-2H"	20.974666
"97593"	885.463063	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M-H+Cl"	33.962126
"536790"	1319.704063	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M-H+Cl"	33.962126
"937965"	451.222063	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-H+Cl"	33.962126
"275426"	1771.933402	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+Cl"	34.969402
"673438"	2640.415402	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+Cl"	34.969402
"1279157"	903.451402	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Cl"	34.969402
"22809"	1773.912606	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M-2H+K"	36.948606
"465648"	2642.394606	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M-2H+K"	36.948606
"847590"	905.430606	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-2H+K"	36.948606
"1571087"	905.430606	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+K-2H"	36.948606
"958247"	913.480194	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-H+HCOOH"	44.998194
"376820"	1781.962201	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+HCOOH-H"	44.998201
"359844"	1795.977851	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+Hac-H"	59.013851
"1502480"	927.495851	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Hac-H"	59.013851
"965646"	935.462151	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-H+NaCOOH"	66.980151
"117834"	903.451402	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+2Cl"	69.938804
"557394"	1337.692402	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+2Cl"	69.938804
"1025099"	469.210402	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2Cl"	69.938804
"1245042"	947.400885	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Br"	78.918885
"1306397"	949.456872	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Cl+HCOOH"	80.974872
"1321342"	971.438829	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Cl+NaCOOH"	102.956829
"912401"	981.467586	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M-H+CF3COOH"	112.985586
"1294576"	1017.444264	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Cl+CF3COOH"	148.962264
"1381132"	833.469324	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H-2H2O"	-35.012676
"1395347"	851.4793	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H-H2O"	-17.0027
"294303"	1737.971276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+H"	1.007276
"681255"	2606.453276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+H"	1.007276
"1360883"	869.489276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H"	1.007276
"131585"	869.489276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+2H"	2.014552
"568593"	1303.730276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+2H"	2.014552
"1047970"	435.248276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2H"	2.014552
"219157"	579.995276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+3H"	3.021828
"658350"	869.489276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+3H"	3.021828
"1168820"	290.501276	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+3H"	3.021828
"430997"	1754.997823	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+NH4"	18.033823
"797100"	2623.479823	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+NH4"	18.033823
"1693430"	886.515823	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+NH4"	18.033823
"338793"	878.0025495	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+H+NH4"	19.041099
"734496"	1312.2435495	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+H+NH4"	19.041099
"1487222"	443.7615495	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H+NH4"	19.041099
"402621"	1759.953218	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+Na"	22.989218
"763617"	2628.435218	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+Na"	22.989218
"1614997"	891.471218	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Na"	22.989218
"325032"	880.480247	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+H+Na"	23.996494
"716359"	1314.721247	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+H+Na"	23.996494
"1463009"	446.239247	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H+Na"	23.996494
"1056499"	297.82859	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2H+Na"	25.00377
"1261828"	901.515486	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+CH3OH+H"	33.033486
"384778"	1775.927158	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+K"	38.963158
"743585"	2644.409158	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+K"	38.963158
"1545635"	907.445158	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+K"	38.963158
"303904"	888.467217	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+H+K"	39.970434
"694503"	1322.708217	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+H+K"	39.970434
"1449056"	454.226217	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H+K"	39.970434
"238753"	1778.997826	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+ACN+H"	42.033826
"1212921"	910.515826	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+ACN+H"	42.033826
"1197167"	455.761551	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+ACN+2H"	43.041102
"195876"	1781.93516	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+2Na-H"	44.97116
"642486"	2650.41716	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+2Na-H"	44.97116
"1145747"	913.45316	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2Na-H"	44.97116
"186242"	891.471218	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+2Na"	45.978436
"623979"	1325.712218	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+2Na"	45.978436
"1127485"	457.230218	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2Na"	45.978436
"1408820"	305.155904	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H+2Na"	46.985712
"1436563"	915.494746	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H+HCOOH"	47.012746
"225172"	896.50424	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+3H2O+2H"	56.04448
"1513234"	929.54679	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+IsoProp+H"	61.06479
"410003"	899.458188	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+Na+K"	61.952376
"771726"	1333.699188	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+Na+K"	61.952376
"1666969"	465.217188	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Na+K"	61.952376
"252025"	1800.979768	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+ACN+Na"	64.015768
"1226552"	932.497768	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+ACN+Na"	64.015768
"1714714"	932.521293	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+NH4+HCOOH"	64.039293
"1191381"	312.483218	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+3Na"	68.967654
"1662364"	937.476688	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Na+HCOOH"	68.994688
"164850"	1813.88304	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+2K-H"	76.91904
"605503"	2682.36504	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+2K-H"	76.91904
"1097672"	945.40104	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2K-H"	76.91904
"153391"	907.445158	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"2M+2K"	77.926316
"589671"	1341.686158	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"3M+2K"	77.926316
"1076372"	473.204158	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2K"	77.926316
"1112863"	947.415592	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2K+H"	78.933592
"1351206"	947.503207	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+DMSO+H"	79.021207
"1020335"	951.542376	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2ACN+H"	83.060376
"1536998"	952.536008	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+IsoProp+Na+H"	84.054008
"1003448"	476.274826	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+2ACN+2H"	84.067652
"1597951"	953.450628	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+K+HCOOH"	84.968628
"1424708"	983.482138	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+H+CF3COOH"	115.000138
"1159370"	496.788101	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+3ACN+2H"	125.094202
"1710017"	1000.508685	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+NH4+CF3COOH"	132.026685
"1646759"	1005.46408	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+Na+CF3COOH"	136.98208
"1574756"	1021.43802	"C08940"	"Desglucomusennin"	"C45H72O16"	"868.482"	"M+K+CF3COOH"	152.95602
"808403"	810.4402	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M"	0
"978655"	791.42181	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-H2O-H"	-19.01839
"63979"	539.286190666667	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M-3H"	-3.021828
"503775"	809.432924	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M-3H"	-3.021828
"881339"	269.139457333333	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-3H"	-3.021828
"1612"	809.432924	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M-2H"	-2.014552
"441412"	1214.653024	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M-2H"	-2.014552
"818364"	404.212824	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-2H"	-2.014552
"80426"	1619.873124	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M-H"	-1.007276
"520842"	2430.313324	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M-H"	-1.007276
"897060"	809.432924	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-H"	-1.007276
"54115"	1636.899671	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M-2H+NH4"	16.019271
"491488"	2447.339871	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M-2H+NH4"	16.019271
"870383"	826.459471	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-2H+NH4"	16.019271
"34637"	1641.855066	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M-2H+Na"	20.974666
"474562"	2452.295266	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M-2H+Na"	20.974666
"856742"	831.414866	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-2H+Na"	20.974666
"1629558"	831.414866	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Na-2H"	20.974666
"97339"	827.421263	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M-H+Cl"	33.962126
"537993"	1232.641363	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M-H+Cl"	33.962126
"940262"	422.201163	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-H+Cl"	33.962126
"278453"	1655.849802	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+Cl"	34.969402
"673669"	2466.290002	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+Cl"	34.969402
"1280360"	845.409602	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Cl"	34.969402
"24012"	1657.829006	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M-2H+K"	36.948606
"465758"	2468.269206	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M-2H+K"	36.948606
"848463"	847.388806	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-2H+K"	36.948606
"1570953"	847.388806	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+K-2H"	36.948606
"957621"	855.438394	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-H+HCOOH"	44.998194
"376445"	1665.878601	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+HCOOH-H"	44.998201
"360085"	1679.894251	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+Hac-H"	59.013851
"1502590"	869.454051	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Hac-H"	59.013851
"966850"	877.420351	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-H+NaCOOH"	66.980151
"115757"	845.409602	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+2Cl"	69.938804
"558598"	1250.629702	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+2Cl"	69.938804
"1025209"	440.189502	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2Cl"	69.938804
"1243694"	889.359085	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Br"	78.918885
"1307235"	891.415072	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Cl+HCOOH"	80.974872
"1321085"	913.397029	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Cl+NaCOOH"	102.956829
"912630"	923.425786	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M-H+CF3COOH"	112.985586
"1290676"	959.402464	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Cl+CF3COOH"	148.962264
"1380513"	775.427524	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H-2H2O"	-35.012676
"1395457"	793.4375	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H-H2O"	-17.0027
"293321"	1621.887676	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+H"	1.007276
"682460"	2432.327876	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+H"	1.007276
"1357715"	811.447476	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H"	1.007276
"130602"	811.447476	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+2H"	2.014552
"569794"	1216.667576	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+2H"	2.014552
"1048808"	406.227376	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2H"	2.014552
"217809"	541.300742666667	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+3H"	3.021828
"657367"	811.447476	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+3H"	3.021828
"1170023"	271.154009333333	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+3H"	3.021828
"434387"	1638.914223	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+NH4"	18.033823
"796475"	2449.354423	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+NH4"	18.033823
"1688433"	828.474023	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+NH4"	18.033823
"335618"	819.9607495	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+H+NH4"	19.041099
"728043"	1225.1808495	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+H+NH4"	19.041099
"1482958"	414.7406495	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H+NH4"	19.041099
"397263"	1643.869618	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+Na"	22.989218
"761540"	2454.309818	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+Na"	22.989218
"1610732"	833.429418	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Na"	22.989218
"319674"	822.438447	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+H+Na"	23.996494
"711001"	1227.658547	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+H+Na"	23.996494
"1462142"	417.218347	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H+Na"	23.996494
"1055515"	278.481323333333	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2H+Na"	25.00377
"1261210"	843.473686	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+CH3OH+H"	33.033486
"382700"	1659.843558	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+K"	38.963158
"743695"	2470.283758	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+K"	38.963158
"1547933"	849.403358	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+K"	38.963158
"301828"	830.425417	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+H+K"	39.970434
"697533"	1235.645517	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+H+K"	39.970434
"1451355"	425.205317	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H+K"	39.970434
"239957"	1662.914226	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+ACN+H"	42.033826
"1217040"	852.474026	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+ACN+H"	42.033826
"1197642"	426.740651	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+ACN+2H"	43.041102
"200359"	1665.85156	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+2Na-H"	44.97116
"642108"	2476.29176	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+2Na-H"	44.97116
"1143428"	855.41136	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2Na-H"	44.97116
"185622"	833.429418	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+2Na"	45.978436
"621901"	1238.649518	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+2Na"	45.978436
"1128688"	428.209318	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2Na"	45.978436
"1407838"	285.808637333333	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H+2Na"	46.985712
"1437765"	857.452946	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H+HCOOH"	47.012746
"230750"	838.46244	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+3H2O+2H"	56.04448
"1512250"	871.50499	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+IsoProp+H"	61.06479
"411937"	841.416388	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+Na+K"	61.952376
"771473"	1246.636488	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+Na+K"	61.952376
"1668897"	436.196288	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Na+K"	61.952376
"253593"	1684.896168	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+ACN+Na"	64.015768
"1226661"	874.455968	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+ACN+Na"	64.015768
"1714088"	874.479493	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+NH4+HCOOH"	64.039293
"1190763"	293.135951333333	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+3Na"	68.967654
"1662474"	879.434888	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Na+HCOOH"	68.994688
"166053"	1697.79944	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+2K-H"	76.91904
"606706"	2508.23964	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+2K-H"	76.91904
"1098878"	887.35924	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2K-H"	76.91904
"153501"	849.403358	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"2M+2K"	77.926316
"589781"	1254.623458	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"3M+2K"	77.926316
"1078669"	444.183258	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2K"	77.926316
"1110786"	889.373792	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2K+H"	78.933592
"1350824"	889.461407	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+DMSO+H"	79.021207
"1019837"	893.500576	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2ACN+H"	83.060376
"1537108"	894.494208	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+IsoProp+Na+H"	84.054008
"1002464"	447.253926	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+2ACN+2H"	84.067652
"1598061"	895.408828	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+K+HCOOH"	84.968628
"1423725"	925.440338	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+H+CF3COOH"	115.000138
"1158387"	467.767201	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+3ACN+2H"	125.094202
"1710127"	942.466885	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+NH4+CF3COOH"	132.026685
"1646869"	947.42228	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+Na+CF3COOH"	136.98208
"1574866"	963.39622	"C08941"	"Dianoside A"	"C42H66O15"	"810.4402"	"M+K+CF3COOH"	152.95602
"808513"	472.3553	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M"	0
"978765"	453.33691	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-H2O-H"	-19.01839
"64210"	313.896257333333	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M-3H"	-3.021828
"504376"	471.348024	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M-3H"	-3.021828
"880596"	156.444490666667	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-3H"	-3.021828
"305"	471.348024	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M-2H"	-2.014552
"440430"	707.525674	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M-2H"	-2.014552
"818111"	235.170374	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-2H"	-2.014552
"79931"	943.703324	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M-H"	-1.007276
"520954"	1416.058624	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M-H"	-1.007276
"895875"	471.348024	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-H"	-1.007276
"53132"	960.729871	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M-2H+NH4"	16.019271
"489776"	1433.085171	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M-2H+NH4"	16.019271
"869400"	488.374571	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-2H+NH4"	16.019271
"33654"	965.685266	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M-2H+Na"	20.974666
"473579"	1438.040566	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M-2H+Na"	20.974666
"853572"	493.329966	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-2H+Na"	20.974666
"1622011"	493.329966	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Na-2H"	20.974666
"97449"	489.336363	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M-H+Cl"	33.962126
"540289"	725.514013	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M-H+Cl"	33.962126
"938182"	253.158713	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-H+Cl"	33.962126
"275645"	979.680002	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+Cl"	34.969402
"668066"	1452.035302	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+Cl"	34.969402
"1280469"	507.324702	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Cl"	34.969402
"25215"	981.659206	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M-2H+K"	36.948606
"466961"	1454.014506	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M-2H+K"	36.948606
"846591"	509.303906	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-2H+K"	36.948606
"1571244"	509.303906	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+K-2H"	36.948606
"958452"	517.353494	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-H+HCOOH"	44.998194
"377091"	989.708801	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+HCOOH-H"	44.998201
"361373"	1003.724451	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+Hac-H"	59.013851
"1507972"	531.369151	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Hac-H"	59.013851
"974082"	539.335451	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-H+NaCOOH"	66.980151
"121335"	507.324702	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+2Cl"	69.938804
"563082"	743.502352	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+2Cl"	69.938804
"1027507"	271.147052	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2Cl"	69.938804
"1247086"	551.274185	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Br"	78.918885
"1306617"	553.330172	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Cl+HCOOH"	80.974872
"1320589"	575.312129	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Cl+NaCOOH"	102.956829
"912132"	585.340886	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M-H+CF3COOH"	112.985586
"1290299"	621.317564	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Cl+CF3COOH"	148.962264
"1368582"	437.342624	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H-2H2O"	-35.012676
"1397389"	455.3526	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H-H2O"	-17.0027
"293795"	945.717876	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+H"	1.007276
"684757"	1418.073176	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+H"	1.007276
"1360012"	473.362576	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H"	1.007276
"131806"	473.362576	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+2H"	2.014552
"571363"	709.540226	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+2H"	2.014552
"1049649"	237.184926	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2H"	2.014552
"215730"	315.910809333333	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+3H"	3.021828
"656017"	473.362576	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+3H"	3.021828
"1169038"	158.459042666667	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+3H"	3.021828
"431216"	962.744423	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+NH4"	18.033823
"790025"	1435.099723	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+NH4"	18.033823
"1689637"	490.389123	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+NH4"	18.033823
"335728"	481.8758495	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+H+NH4"	19.041099
"727057"	718.0534995	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+H+NH4"	19.041099
"1480878"	245.6981995	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H+NH4"	19.041099
"397370"	967.699818	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+Na"	22.989218
"759461"	1440.055118	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+Na"	22.989218
"1606466"	495.344518	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Na"	22.989218
"319784"	484.353547	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+H+Na"	23.996494
"712205"	720.531197	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+H+Na"	23.996494
"1461522"	248.175897	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H+Na"	23.996494
"1056718"	165.786356666667	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2H+Na"	25.00377
"1261321"	505.388786	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+CH3OH+H"	33.033486
"380624"	983.673758	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+K"	38.963158
"744900"	1456.029058	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+K"	38.963158
"1548044"	511.318458	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+K"	38.963158
"303032"	492.340517	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+H+K"	39.970434
"696185"	728.518167	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+H+K"	39.970434
"1449279"	256.162867	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H+K"	39.970434
"238974"	986.744426	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+ACN+H"	42.033826
"1214964"	514.389126	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+ACN+H"	42.033826
"1195930"	257.698201	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+ACN+2H"	43.041102
"198282"	989.68176	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+2Na-H"	44.97116
"643676"	1462.03706	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+2Na-H"	44.97116
"1145725"	517.32646	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2Na-H"	44.97116
"186462"	495.344518	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+2Na"	45.978436
"624198"	731.522168	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+2Na"	45.978436
"1124425"	259.166868	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2Na"	45.978436
"1407948"	173.113670666667	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H+2Na"	46.985712
"1434595"	519.368046	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H+HCOOH"	47.012746
"231953"	500.37754	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+3H2O+2H"	56.04448
"1514546"	533.42009	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+H"	61.06479
"413139"	503.331488	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+Na+K"	61.952376
"772312"	739.509138	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+Na+K"	61.952376
"1666211"	267.153838	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Na+K"	61.952376
"252239"	1008.726368	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+ACN+Na"	64.015768
"1226407"	536.371068	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+ACN+Na"	64.015768
"1714320"	536.394593	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+NH4+HCOOH"	64.039293
"1183208"	180.440984666667	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+3Na"	68.967654
"1662584"	541.349988	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Na+HCOOH"	68.994688
"170537"	1021.62964	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+2K-H"	76.91904
"607909"	1493.98494	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+2K-H"	76.91904
"1093518"	549.27434	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2K-H"	76.91904
"147051"	511.318458	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"2M+2K"	77.926316
"588797"	747.496108	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"3M+2K"	77.926316
"1079872"	275.140808	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2K"	77.926316
"1110896"	551.288892	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2K+H"	78.933592
"1350938"	551.376507	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+DMSO+H"	79.021207
"1020554"	555.415676	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2ACN+H"	83.060376
"1535031"	556.409308	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+Na+H"	84.054008
"1002574"	278.211476	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+2ACN+2H"	84.067652
"1598171"	557.323928	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+K+HCOOH"	84.968628
"1424928"	587.355438	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+H+CF3COOH"	115.000138
"1158497"	298.724751	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+3ACN+2H"	125.094202
"1712424"	604.381985	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+NH4+CF3COOH"	132.026685
"1645886"	609.33738	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+Na+CF3COOH"	136.98208
"1578256"	625.31132	"C08942"	"Echinocystic acid"	"C30H48O4"	"472.3553"	"M+K+CF3COOH"	152.95602
"808623"	748.4398	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M"	0
"978875"	729.42141	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-H2O-H"	-19.01839
"62940"	497.952590666667	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M-3H"	-3.021828
"506674"	747.432524	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M-3H"	-3.021828
"881559"	248.472657333333	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-3H"	-3.021828
"255"	747.432524	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M-2H"	-2.014552
"440782"	1121.652424	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M-2H"	-2.014552
"819679"	373.212624	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-2H"	-2.014552
"80770"	1495.872324	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M-H"	-1.007276
"521064"	2244.312124	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M-H"	-1.007276
"898501"	747.432524	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-H"	-1.007276
"55431"	1512.898871	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M-2H+NH4"	16.019271
"489886"	2261.338671	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M-2H+NH4"	16.019271
"867688"	764.459071	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-2H+NH4"	16.019271
"34128"	1517.854266	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M-2H+Na"	20.974666
"472960"	2266.294066	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M-2H+Na"	20.974666
"854776"	769.414466	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-2H+Na"	20.974666
"1618792"	769.414466	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Na-2H"	20.974666
"95005"	765.420863	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M-H+Cl"	33.962126
"534683"	1139.640763	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M-H+Cl"	33.962126
"938292"	391.200963	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-H+Cl"	33.962126
"275755"	1531.849002	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+Cl"	34.969402
"665990"	2280.288802	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+Cl"	34.969402
"1279486"	783.409202	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Cl"	34.969402
"22045"	1533.828206	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M-2H+K"	36.948606
"462698"	2282.268006	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M-2H+K"	36.948606
"844513"	785.388406	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-2H+K"	36.948606
"1570974"	785.388406	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+K-2H"	36.948606
"958078"	793.437994	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-H+HCOOH"	44.998194
"376751"	1541.877801	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+HCOOH-H"	44.998201
"361160"	1555.893451	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+Hac-H"	59.013851
"1507554"	807.453651	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Hac-H"	59.013851
"974045"	815.419951	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-H+NaCOOH"	66.980151
"121445"	783.409202	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+2Cl"	69.938804
"564165"	1157.629102	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+2Cl"	69.938804
"1028710"	409.189302	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2Cl"	69.938804
"1247196"	827.358685	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Br"	78.918885
"1306363"	829.414672	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Cl+HCOOH"	80.974872
"1322765"	851.396629	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Cl+NaCOOH"	102.956829
"911405"	861.425386	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M-H+CF3COOH"	112.985586
"1290532"	897.402064	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Cl+CF3COOH"	148.962264
"1370881"	713.427124	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H-2H2O"	-35.012676
"1394941"	731.4371	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H-H2O"	-17.0027
"294997"	1497.886876	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+H"	1.007276
"684867"	2246.326676	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+H"	1.007276
"1360122"	749.447076	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H"	1.007276
"130823"	749.447076	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+2H"	2.014552
"569287"	1123.666976	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+2H"	2.014552
"1049759"	375.227176	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2H"	2.014552
"216934"	499.967142666667	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+3H"	3.021828
"657222"	749.447076	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+3H"	3.021828
"1172428"	250.487209333333	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+3H"	3.021828
"430233"	1514.913423	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+NH4"	18.033823
"793415"	2263.353223	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+NH4"	18.033823
"1689747"	766.473623	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+NH4"	18.033823
"335838"	757.9603495	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+H+NH4"	19.041099
"730447"	1132.1802495	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+H+NH4"	19.041099
"1482081"	383.7404495	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H+NH4"	19.041099
"396387"	1519.868818	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+Na"	22.989218
"759571"	2268.308618	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+Na"	22.989218
"1605483"	771.429018	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Na"	22.989218
"319894"	760.438047	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+H+Na"	23.996494
"711222"	1134.657947	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+H+Na"	23.996494
"1462125"	386.218147	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H+Na"	23.996494
"1055735"	257.814523333333	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2H+Na"	25.00377
"1262160"	781.473286	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+CH3OH+H"	33.033486
"384015"	1535.842758	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+K"	38.963158
"746101"	2284.282558	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+K"	38.963158
"1545968"	787.402958	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+K"	38.963158
"303142"	768.425017	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+H+K"	39.970434
"693737"	1142.644917	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+H+K"	39.970434
"1448296"	394.205117	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H+K"	39.970434
"237991"	1538.913426	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+ACN+H"	42.033826
"1211794"	790.473626	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+ACN+H"	42.033826
"1196040"	395.740451	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+ACN+2H"	43.041102
"197299"	1541.85076	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+2Na-H"	44.97116
"640141"	2290.29056	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+2Na-H"	44.97116
"1140368"	793.41096	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2Na-H"	44.97116
"180376"	771.429018	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+2Na"	45.978436
"617748"	1145.648918	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+2Na"	45.978436
"1116273"	397.209118	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2Na"	45.978436
"1401499"	265.141837333333	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H+2Na"	46.985712
"1429895"	795.452546	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H+HCOOH"	47.012746
"228783"	776.46204	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+3H2O+2H"	56.04448
"1511375"	809.50459	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+IsoProp+H"	61.06479
"411062"	779.415988	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+Na+K"	61.952376
"772058"	1153.635888	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+Na+K"	61.952376
"1665713"	405.196088	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Na+K"	61.952376
"251702"	1560.895368	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+ACN+Na"	64.015768
"1225910"	812.455568	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+ACN+Na"	64.015768
"1712730"	812.479093	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+NH4+HCOOH"	64.039293
"1183318"	272.469151333333	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+3Na"	68.967654
"1663787"	817.434488	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Na+HCOOH"	68.994688
"169554"	1573.79864	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+2K-H"	76.91904
"606926"	2322.23844	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+2K-H"	76.91904
"1093628"	825.35884	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2K-H"	76.91904
"150442"	787.402958	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"2M+2K"	77.926316
"586722"	1161.622858	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"3M+2K"	77.926316
"1075609"	413.183058	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2K"	77.926316
"1111007"	827.373392	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2K+H"	78.933592
"1350924"	827.461007	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+DMSO+H"	79.021207
"1019935"	831.500176	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2ACN+H"	83.060376
"1534048"	832.493808	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+IsoProp+Na+H"	84.054008
"1000497"	416.253726	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+2ACN+2H"	84.067652
"1597188"	833.408428	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+K+HCOOH"	84.968628
"1422851"	863.439938	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+H+CF3COOH"	115.000138
"1160794"	436.767001	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+3ACN+2H"	125.094202
"1712534"	880.466485	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+NH4+CF3COOH"	132.026685
"1645996"	885.42188	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+Na+CF3COOH"	136.98208
"1578366"	901.39582	"C08943"	"Flaccidin B"	"C41H64O12"	"748.4398"	"M+K+CF3COOH"	152.95602
"805453"	946.5501	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M"	0
"975705"	927.53171	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-H2O-H"	-19.01839
"63577"	630.026124	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M-3H"	-3.021828
"504597"	945.542824	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M-3H"	-3.021828
"880453"	314.509424	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-3H"	-3.021828
"974"	945.542824	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M-2H"	-2.014552
"441379"	1418.817874	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M-2H"	-2.014552
"819424"	472.267774	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-2H"	-2.014552
"79057"	1892.092924	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M-H"	-1.007276
"519714"	2838.643024	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M-H"	-1.007276
"898245"	945.542824	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-H"	-1.007276
"55541"	1909.119471	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M-2H+NH4"	16.019271
"491088"	2855.669571	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M-2H+NH4"	16.019271
"867797"	962.569371	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-2H+NH4"	16.019271
"33145"	1914.074866	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M-2H+Na"	20.974666
"472095"	2860.624966	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M-2H+Na"	20.974666
"852699"	967.524766	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-2H+Na"	20.974666
"1618700"	967.524766	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Na-2H"	20.974666
"94788"	963.531163	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M-H+Cl"	33.962126
"534466"	1436.806213	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M-H+Cl"	33.962126
"935122"	490.256113	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-H+Cl"	33.962126
"272585"	1928.069602	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+Cl"	34.969402
"666100"	2874.619702	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+Cl"	34.969402
"1276316"	981.519502	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Cl"	34.969402
"21061"	1930.048806	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M-2H+K"	36.948606
"461714"	2876.598906	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M-2H+K"	36.948606
"842799"	983.498706	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-2H+K"	36.948606
"1570187"	983.498706	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+K-2H"	36.948606
"957339"	991.548294	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-H+HCOOH"	44.998194
"376775"	1938.098401	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+HCOOH-H"	44.998201
"361312"	1952.114051	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+Hac-H"	59.013851
"1506816"	1005.563951	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Hac-H"	59.013851
"972897"	1013.530251	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-H+NaCOOH"	66.980151
"124835"	981.519502	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+2Cl"	69.938804
"564763"	1454.794552	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+2Cl"	69.938804
"1029914"	508.244452	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2Cl"	69.938804
"1247306"	1025.468985	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Br"	78.918885
"1308660"	1027.524972	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Cl+HCOOH"	80.974872
"1322875"	1049.506929	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Cl+NaCOOH"	102.956829
"912841"	1059.535686	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M-H+CF3COOH"	112.985586
"1293923"	1095.512364	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Cl+CF3COOH"	148.962264
"1370991"	911.537424	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H-2H2O"	-35.012676
"1395417"	929.5474	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H-H2O"	-17.0027
"296202"	1894.107476	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+H"	1.007276
"686071"	2840.657576	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+H"	1.007276
"1360232"	947.557376	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H"	1.007276
"130933"	947.557376	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+2H"	2.014552
"569397"	1420.832426	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+2H"	2.014552
"1048776"	474.282326	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2H"	2.014552
"217044"	632.040676	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+3H"	3.021828
"653321"	947.557376	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+3H"	3.021828
"1165978"	316.523976	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+3H"	3.021828
"433623"	1911.134023	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+NH4"	18.033823
"795713"	2857.684123	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+NH4"	18.033823
"1689857"	964.583923	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+NH4"	18.033823
"335949"	956.0706495	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+H+NH4"	19.041099
"727277"	1429.3456995	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+H+NH4"	19.041099
"1481098"	482.7955995	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H+NH4"	19.041099
"394311"	1916.089418	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+Na"	22.989218
"759680"	2862.639518	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+Na"	22.989218
"1607780"	969.539318	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Na"	22.989218
"320004"	958.548347	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+H+Na"	23.996494
"709144"	1431.823397	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+H+Na"	23.996494
"1461623"	485.273297	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H+Na"	23.996494
"1053162"	323.85129	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2H+Na"	25.00377
"1262270"	979.583586	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+CH3OH+H"	33.033486
"380845"	1932.063358	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+K"	38.963158
"742931"	2878.613458	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+K"	38.963158
"1542797"	985.513258	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+K"	38.963158
"299967"	966.535317	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+H+K"	39.970434
"691860"	1439.810367	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+H+K"	39.970434
"1447672"	493.260267	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H+K"	39.970434
"238828"	1935.134026	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+ACN+H"	42.033826
"1214087"	988.583926	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+ACN+H"	42.033826
"1195783"	494.795601	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+ACN+2H"	43.041102
"199596"	1938.07136	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+2Na-H"	44.97116
"636969"	2884.62146	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+2Na-H"	44.97116
"1139381"	991.52126	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2Na-H"	44.97116
"180486"	969.539318	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+2Na"	45.978436
"620774"	1442.814368	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+2Na"	45.978436
"1116987"	496.264268	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2Na"	45.978436
"1402702"	331.178604	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H+2Na"	46.985712
"1430073"	993.562846	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H+HCOOH"	47.012746
"220175"	974.57234	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+3H2O+2H"	56.04448
"1509298"	1007.61489	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+IsoProp+H"	61.06479
"410079"	977.526288	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+Na+K"	61.952376
"771439"	1450.801338	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+Na+K"	61.952376
"1665977"	504.251238	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Na+K"	61.952376
"252703"	1957.115968	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+ACN+Na"	64.015768
"1226506"	1010.565868	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+ACN+Na"	64.015768
"1713121"	1010.589393	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+NH4+HCOOH"	64.039293
"1180876"	338.505918	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+3Na"	68.967654
"1650077"	1015.544788	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Na+HCOOH"	68.994688
"159451"	1970.01924	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+2K-H"	76.91904
"607036"	2916.56934	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+2K-H"	76.91904
"1097019"	1023.46914	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2K-H"	76.91904
"152741"	985.513258	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"2M+2K"	77.926316
"587925"	1458.788308	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"3M+2K"	77.926316
"1076812"	512.238208	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2K"	77.926316
"1114644"	1025.483692	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2K+H"	78.933592
"1350181"	1025.571307	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+DMSO+H"	79.021207
"1020045"	1029.610476	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2ACN+H"	83.060376
"1535252"	1030.604108	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+IsoProp+Na+H"	84.054008
"999514"	515.308876	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+2ACN+2H"	84.067652
"1597298"	1031.518728	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+K+HCOOH"	84.968628
"1424053"	1061.550238	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+H+CF3COOH"	115.000138
"1158717"	535.822151	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+3ACN+2H"	125.094202
"1709363"	1078.576785	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+NH4+CF3COOH"	132.026685
"1646106"	1083.53218	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+Na+CF3COOH"	136.98208
"1578476"	1099.50612	"C08944"	"Ginsenoside Re"	"C48H82O18"	"946.5501"	"M+K+CF3COOH"	152.95602
"812124"	800.4922	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M"	0
"980191"	781.47381	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-H2O-H"	-19.01839
"64178"	532.654190666667	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M-3H"	-3.021828
"504708"	799.484924	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M-3H"	-3.021828
"884695"	265.823457333333	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-3H"	-3.021828
"2905"	799.484924	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M-2H"	-2.014552
"443195"	1199.731024	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M-2H"	-2.014552
"819176"	399.238824	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-2H"	-2.014552
"81352"	1599.977124	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M-H"	-1.007276
"519945"	2400.469324	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M-H"	-1.007276
"898355"	799.484924	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-H"	-1.007276
"55651"	1617.003671	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M-2H+NH4"	16.019271
"491563"	2417.495871	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M-2H+NH4"	16.019271
"868636"	816.511471	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-2H+NH4"	16.019271
"33616"	1621.959066	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M-2H+Na"	20.974666
"473179"	2422.451266	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M-2H+Na"	20.974666
"850983"	821.466866	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-2H+Na"	20.974666
"1619786"	821.466866	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Na-2H"	20.974666
"95099"	817.473263	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M-H+Cl"	33.962126
"536243"	1217.719363	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M-H+Cl"	33.962126
"936325"	417.227163	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-H+Cl"	33.962126
"270506"	1635.953802	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+Cl"	34.969402
"666210"	2436.446002	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+Cl"	34.969402
"1274238"	835.461602	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Cl"	34.969402
"20078"	1637.933006	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M-2H+K"	36.948606
"458545"	2438.425206	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M-2H+K"	36.948606
"841816"	837.440806	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-2H+K"	36.948606
"1569934"	837.440806	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+K-2H"	36.948606
"956478"	845.490394	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-H+HCOOH"	44.998194
"376992"	1645.982601	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+HCOOH-H"	44.998201
"361180"	1659.998251	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+Hac-H"	59.013851
"1505953"	859.506051	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Hac-H"	59.013851
"972764"	867.472351	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-H+NaCOOH"	66.980151
"121665"	835.461602	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+2Cl"	69.938804
"564514"	1235.707702	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+2Cl"	69.938804
"1030024"	435.215502	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2Cl"	69.938804
"1253976"	879.411085	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Br"	78.918885
"1312050"	881.467072	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Cl+HCOOH"	80.974872
"1324078"	903.449029	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Cl+NaCOOH"	102.956829
"914044"	913.477786	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M-H+CF3COOH"	112.985586
"1290752"	949.454464	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Cl+CF3COOH"	148.962264
"1371101"	765.479524	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H-2H2O"	-35.012676
"1388600"	783.4895	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H-H2O"	-17.0027
"294489"	1601.991676	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+H"	1.007276
"689098"	2402.483876	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+H"	1.007276
"1359616"	801.499476	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H"	1.007276
"132138"	801.499476	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+2H"	2.014552
"573885"	1201.745576	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+2H"	2.014552
"1049250"	401.253376	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2H"	2.014552
"218977"	534.668742666667	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+3H"	3.021828
"653431"	801.499476	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+3H"	3.021828
"1169369"	267.838009333333	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+3H"	3.021828
"433733"	1619.018223	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+NH4"	18.033823
"798010"	2419.510423	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+NH4"	18.033823
"1686687"	818.526023	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+NH4"	18.033823
"333143"	810.0127495	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+H+NH4"	19.041099
"726294"	1210.2588495	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+H+NH4"	19.041099
"1481208"	409.7666495	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H+NH4"	19.041099
"395514"	1623.973618	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+Na"	22.989218
"759790"	2424.465818	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+Na"	22.989218
"1607890"	823.481418	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Na"	22.989218
"320115"	812.490447	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+H+Na"	23.996494
"709254"	1212.736547	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+H+Na"	23.996494
"1462588"	412.244347	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H+Na"	23.996494
"1053765"	275.165323333333	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2H+Na"	25.00377
"1265660"	833.525686	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+CH3OH+H"	33.033486
"380954"	1639.947558	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+K"	38.963158
"745229"	2440.439758	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+K"	38.963158
"1544000"	839.455358	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+K"	38.963158
"300805"	820.477417	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+H+K"	39.970434
"693956"	1220.723517	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+H+K"	39.970434
"1449242"	420.231317	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H+K"	39.970434
"240032"	1643.018226	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+ACN+H"	42.033826
"1211641"	842.526026	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+ACN+H"	42.033826
"1196254"	421.766651	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+ACN+2H"	43.041102
"200799"	1645.95556	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+2Na-H"	44.97116
"639267"	2446.44776	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+2Na-H"	44.97116
"1139491"	845.46336	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2Na-H"	44.97116
"181689"	823.481418	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+2Na"	45.978436
"621613"	1223.727518	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+2Na"	45.978436
"1123298"	423.235318	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2Na"	45.978436
"1403907"	282.492637333333	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H+2Na"	46.985712
"1434924"	847.504946	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H+HCOOH"	47.012746
"225715"	828.51444	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+3H2O+2H"	56.04448
"1510501"	861.55699	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+IsoProp+H"	61.06479
"410916"	831.468388	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+Na+K"	61.952376
"775560"	1231.714488	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+Na+K"	61.952376
"1667513"	431.222288	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Na+K"	61.952376
"251964"	1665.000168	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+ACN+Na"	64.015768
"1228931"	864.507968	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+ACN+Na"	64.015768
"1713924"	864.531493	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+NH4+HCOOH"	64.039293
"1182079"	289.819951333333	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+3Na"	68.967654
"1651240"	869.486888	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Na+HCOOH"	68.994688
"159561"	1677.90344	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+2K-H"	76.91904
"601673"	2478.39564	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+2K-H"	76.91904
"1085210"	877.41124	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2K-H"	76.91904
"145554"	839.455358	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"2M+2K"	77.926316
"590225"	1239.701458	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"3M+2K"	77.926316
"1078018"	439.209258	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2K"	77.926316
"1114755"	879.425792	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2K+H"	78.933592
"1350412"	879.513407	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+DMSO+H"	79.021207
"1020521"	883.552576	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2ACN+H"	83.060376
"1536456"	884.546208	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+IsoProp+Na+H"	84.054008
"1000719"	442.279926	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+2ACN+2H"	84.067652
"1598504"	885.460828	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+K+HCOOH"	84.968628
"1424163"	915.492338	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+H+CF3COOH"	115.000138
"1162677"	462.793201	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+3ACN+2H"	125.094202
"1709473"	932.518885	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+NH4+CF3COOH"	132.026685
"1646216"	937.47428	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+Na+CF3COOH"	136.98208
"1578586"	953.44822	"C08945"	"Ginsenoside Rf"	"C42H72O14"	"800.4922"	"M+K+CF3COOH"	152.95602
"807860"	800.4922	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M"	0
"979204"	781.47381	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-H2O-H"	-19.01839
"68539"	532.654190666667	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M-3H"	-3.021828
"512471"	799.484924	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M-3H"	-3.021828
"888086"	265.823457333333	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-3H"	-3.021828
"4474"	799.484924	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M-2H"	-2.014552
"442945"	1199.731024	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M-2H"	-2.014552
"821839"	399.238824	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-2H"	-2.014552
"82925"	1599.977124	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M-H"	-1.007276
"519935"	2400.469324	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M-H"	-1.007276
"897737"	799.484924	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-H"	-1.007276
"59041"	1617.003671	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M-2H+NH4"	16.019271
"491309"	2417.495871	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M-2H+NH4"	16.019271
"868382"	816.511471	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-2H+NH4"	16.019271
"35918"	1621.959066	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M-2H+Na"	20.974666
"478394"	2422.451266	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M-2H+Na"	20.974666
"854012"	821.466866	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-2H+Na"	20.974666
"1620625"	821.466866	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Na-2H"	20.974666
"95333"	817.473263	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M-H+Cl"	33.962126
"535622"	1217.719363	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M-H+Cl"	33.962126
"937529"	417.227163	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-H+Cl"	33.962126
"273896"	1635.953802	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+Cl"	34.969402
"669600"	2436.446002	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+Cl"	34.969402
"1279816"	835.461602	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Cl"	34.969402
"20188"	1637.933006	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M-2H+K"	36.948606
"464122"	2438.425206	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M-2H+K"	36.948606
"845206"	837.440806	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-2H+K"	36.948606
"1570295"	837.440806	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+K-2H"	36.948606
"957681"	845.490394	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-H+HCOOH"	44.998194
"376143"	1645.982601	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+HCOOH-H"	44.998201
"360384"	1659.998251	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+Hac-H"	59.013851
"1506792"	859.506051	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Hac-H"	59.013851
"972146"	867.472351	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-H+NaCOOH"	66.980151
"124335"	835.461602	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+2Cl"	69.938804
"563892"	1235.707702	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+2Cl"	69.938804
"1035973"	435.215502	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2Cl"	69.938804
"1255544"	879.411085	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Br"	78.918885
"1313254"	881.467072	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Cl+HCOOH"	80.974872
"1327470"	903.449029	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Cl+NaCOOH"	102.956829
"920715"	913.477786	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M-H+CF3COOH"	112.985586
"1296329"	949.454464	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Cl+CF3COOH"	148.962264
"1372304"	765.479524	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H-2H2O"	-35.012676
"1391990"	783.4895	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H-H2O"	-17.0027
"286208"	1601.991676	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+H"	1.007276
"686655"	2402.483876	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+H"	1.007276
"1364101"	801.499476	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H"	1.007276
"135532"	801.499476	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+2H"	2.014552
"576913"	1201.745576	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+2H"	2.014552
"1048630"	401.253376	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2H"	2.014552
"219087"	534.668742666667	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+3H"	3.021828
"655730"	801.499476	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+3H"	3.021828
"1172760"	267.838009333333	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+3H"	3.021828
"436396"	1619.018223	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+NH4"	18.033823
"796663"	2419.510423	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+NH4"	18.033823
"1686797"	818.526023	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+NH4"	18.033823
"331794"	810.0127495	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+H+NH4"	19.041099
"726404"	1210.2588495	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+H+NH4"	19.041099
"1484598"	409.7666495	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H+NH4"	19.041099
"397811"	1623.973618	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+Na"	22.989218
"766464"	2424.465818	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+Na"	22.989218
"1609095"	823.481418	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Na"	22.989218
"324598"	812.490447	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+H+Na"	23.996494
"714831"	1212.736547	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+H+Na"	23.996494
"1469746"	412.244347	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H+Na"	23.996494
"1057524"	275.165323333333	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2H+Na"	25.00377
"1266862"	833.525686	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+CH3OH+H"	33.033486
"383252"	1639.947558	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+K"	38.963158
"746433"	2440.439758	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+K"	38.963158
"1544111"	839.455358	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+K"	38.963158
"303471"	820.477417	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+H+K"	39.970434
"692609"	1220.723517	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+H+K"	39.970434
"1448260"	420.231317	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H+K"	39.970434
"239413"	1643.018226	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+ACN+H"	42.033826
"1210657"	842.526026	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+ACN+H"	42.033826
"1197460"	421.766651	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+ACN+2H"	43.041102
"202733"	1645.95556	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+2Na-H"	44.97116
"640106"	2446.44776	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+2Na-H"	44.97116
"1140695"	845.46336	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2Na-H"	44.97116
"185079"	823.481418	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+2Na"	45.978436
"622453"	1223.727518	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+2Na"	45.978436
"1119398"	423.235318	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2Na"	45.978436
"1399642"	282.492637333333	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H+2Na"	46.985712
"1433941"	847.504946	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H+HCOOH"	47.012746
"231292"	828.51444	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+3H2O+2H"	56.04448
"1516080"	861.55699	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+IsoProp+H"	61.06479
"413580"	831.468388	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+Na+K"	61.952376
"775671"	1231.714488	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+Na+K"	61.952376
"1666124"	431.222288	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Na+K"	61.952376
"252807"	1665.000168	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+ACN+Na"	64.015768
"1226728"	864.507968	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+ACN+Na"	64.015768
"1713181"	864.531493	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+NH4+HCOOH"	64.039293
"1178670"	289.819951333333	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+3Na"	68.967654
"1650166"	869.486888	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Na+HCOOH"	68.994688
"157352"	1677.90344	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+2K-H"	76.91904
"597525"	2478.39564	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+2K-H"	76.91904
"1084832"	877.41124	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2K-H"	76.91904
"144570"	839.455358	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"2M+2K"	77.926316
"593615"	1239.701458	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"3M+2K"	77.926316
"1079221"	439.209258	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2K"	77.926316
"1115313"	879.425792	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2K+H"	78.933592
"1348820"	879.513407	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+DMSO+H"	79.021207
"1020512"	883.552576	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2ACN+H"	83.060376
"1534379"	884.546208	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+IsoProp+Na+H"	84.054008
"999736"	442.279926	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+2ACN+2H"	84.067652
"1598613"	885.460828	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+K+HCOOH"	84.968628
"1425366"	915.492338	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+H+CF3COOH"	115.000138
"1155654"	462.793201	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+3ACN+2H"	125.094202
"1707396"	932.518885	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+NH4+CF3COOH"	132.026685
"1643046"	937.47428	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+Na+CF3COOH"	136.98208
"1578696"	953.44822	"C08946"	"Ginsenoside Rg1;Sanchinoside C1"	"C42H72O14"	"800.4922"	"M+K+CF3COOH"	152.95602
"805783"	806.4453	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M"	0
"976035"	787.42691	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-H2O-H"	-19.01839
"65365"	536.622924	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M-3H"	-3.021828
"508207"	805.438024	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M-3H"	-3.021828
"883092"	267.807824	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-3H"	-3.021828
"2761"	805.438024	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M-2H"	-2.014552
"440867"	1208.660674	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M-2H"	-2.014552
"817939"	402.215374	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-2H"	-2.014552
"79024"	1611.883324	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M-H"	-1.007276
"518864"	2418.328624	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M-H"	-1.007276
"897847"	805.438024	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-H"	-1.007276
"59151"	1628.909871	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M-2H+NH4"	16.019271
"491419"	2435.355171	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M-2H+NH4"	16.019271
"867763"	822.464571	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-2H+NH4"	16.019271
"32744"	1633.865266	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M-2H+Na"	20.974666
"473031"	2440.310566	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M-2H+Na"	20.974666
"849502"	827.419966	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-2H+Na"	20.974666
"1618629"	827.419966	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Na-2H"	20.974666
"94466"	823.426363	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M-H+Cl"	33.962126
"535489"	1226.649013	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M-H+Cl"	33.962126
"932170"	420.203713	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-H+Cl"	33.962126
"271820"	1647.860002	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+Cl"	34.969402
"664240"	2454.305302	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+Cl"	34.969402
"1274458"	841.414702	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Cl"	34.969402
"20298"	1649.839206	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M-2H+K"	36.948606
"457183"	2456.284506	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M-2H+K"	36.948606
"844223"	843.393906	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-2H+K"	36.948606
"1570814"	843.393906	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+K-2H"	36.948606
"958434"	851.443494	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-H+HCOOH"	44.998194
"376619"	1657.888801	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+HCOOH-H"	44.998201
"360980"	1671.904451	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+Hac-H"	59.013851
"1507266"	865.459151	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Hac-H"	59.013851
"972257"	873.425451	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-H+NaCOOH"	66.980151
"124935"	841.414702	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+2Cl"	69.938804
"564002"	1244.637352	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+2Cl"	69.938804
"1036327"	438.192052	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2Cl"	69.938804
"1252011"	885.364185	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Br"	78.918885
"1319201"	887.420172	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Cl+HCOOH"	80.974872
"1327580"	909.402129	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Cl+NaCOOH"	102.956829
"920825"	919.430886	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M-H+CF3COOH"	112.985586
"1297534"	955.407564	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Cl+CF3COOH"	148.962264
"1374603"	771.432624	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H-2H2O"	-35.012676
"1388820"	789.4426	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H-H2O"	-17.0027
"291786"	1613.897876	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+H"	1.007276
"686765"	2420.343176	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+H"	1.007276
"1362752"	807.452576	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H"	1.007276
"136372"	807.452576	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+2H"	2.014552
"575564"	1210.675226	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+2H"	2.014552
"1050197"	404.229926	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2H"	2.014552
"218834"	538.637476	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+3H"	3.021828
"656568"	807.452576	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+3H"	3.021828
"1172870"	269.822376	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+3H"	3.021828
"437236"	1630.924423	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+NH4"	18.033823
"797867"	2437.369723	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+NH4"	18.033823
"1689095"	824.479123	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+NH4"	18.033823
"338467"	815.9658495	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+H+NH4"	19.041099
"728701"	1219.1884995	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+H+NH4"	19.041099
"1485802"	412.7431995	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H+NH4"	19.041099
"401201"	1635.879818	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+Na"	22.989218
"766574"	2442.325118	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+Na"	22.989218
"1609205"	829.434518	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Na"	22.989218
"324708"	818.443547	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+H+Na"	23.996494
"719315"	1221.666197	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+H+Na"	23.996494
"1472043"	415.220897	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H+Na"	23.996494
"1057634"	277.14969	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2H+Na"	25.00377
"1263692"	839.478786	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+CH3OH+H"	33.033486
"382269"	1651.853758	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+K"	38.963158
"745450"	2458.299058	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+K"	38.963158
"1547500"	845.408458	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+K"	38.963158
"301760"	826.430517	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+H+K"	39.970434
"694177"	1229.653167	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+H+K"	39.970434
"1447642"	423.207867	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H+K"	39.970434
"237338"	1654.924426	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+ACN+H"	42.033826
"1210277"	848.479126	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+ACN+H"	42.033826
"1195746"	424.743201	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+ACN+2H"	43.041102
"196646"	1657.86176	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+2Na-H"	44.97116
"635113"	2464.30706	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+2Na-H"	44.97116
"1136431"	851.41646	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2Na-H"	44.97116
"183003"	829.434518	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+2Na"	45.978436
"616003"	1232.657168	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+2Na"	45.978436
"1122788"	426.211868	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2Na"	45.978436
"1400237"	284.477004	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H+2Na"	46.985712
"1434054"	853.458046	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H+HCOOH"	47.012746
"225933"	834.46754	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+3H2O+2H"	56.04448
"1516190"	867.51009	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+IsoProp+H"	61.06479
"410410"	837.421488	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+Na+K"	61.952376
"774688"	1240.644138	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+Na+K"	61.952376
"1666640"	434.198838	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Na+K"	61.952376
"253889"	1676.906368	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+ACN+Na"	64.015768
"1225742"	870.461068	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+ACN+Na"	64.015768
"1712845"	870.484593	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+NH4+HCOOH"	64.039293
"1178888"	291.804318	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+3Na"	68.967654
"1650729"	875.439988	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Na+HCOOH"	68.994688
"157164"	1689.80964	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+2K-H"	76.91904
"598001"	2496.25494	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+2K-H"	76.91904
"1085675"	883.36434	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2K-H"	76.91904
"146502"	845.408458	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"2M+2K"	77.926316
"583875"	1248.631108	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"3M+2K"	77.926316
"1079331"	442.185808	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2K"	77.926316
"1115340"	885.378892	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2K+H"	78.933592
"1347833"	885.466507	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+DMSO+H"	79.021207
"1011987"	889.505676	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2ACN+H"	83.060376
"1530115"	890.499308	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+IsoProp+Na+H"	84.054008
"999846"	445.256476	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+2ACN+2H"	84.067652
"1597630"	891.413928	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+K+HCOOH"	84.968628
"1425476"	921.445438	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+H+CF3COOH"	115.000138
"1152484"	465.769751	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+3ACN+2H"	125.094202
"1707506"	938.471985	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+NH4+CF3COOH"	132.026685
"1643156"	943.42738	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+Na+CF3COOH"	136.98208
"1578806"	959.40132	"C08947"	"Gymnemic acid I"	"C43H66O14"	"806.4453"	"M+K+CF3COOH"	152.95602
"801593"	274.0841	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M"	0
"974534"	255.06571	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"64382"	181.715457333333	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"512691"	273.076824	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"882838"	90.3540906666667	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"2505"	273.076824	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"440487"	410.118874	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"819136"	136.034774	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"80956"	547.160924	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"519667"	821.245024	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"899779"	273.076824	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"54885"	564.187471	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"491528"	838.271571	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"870061"	290.103371	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"35041"	569.142866	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"473505"	843.226966	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"849162"	295.058766	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1619749"	295.058766	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"94818"	291.065163	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"537667"	428.107213	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"927336"	154.023113	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"267425"	583.137602	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"660173"	857.221702	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1273104"	309.053502	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"19312"	585.116806	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"459964"	859.200906	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"843240"	311.032706	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1571205"	311.032706	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"958430"	319.082294	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"376720"	593.166401	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"360968"	607.182051	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1508097"	333.097951	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"973333"	341.064251	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"125273"	309.053502	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"565204"	446.095552	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1035819"	172.011452	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1256492"	353.002985	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1319512"	355.058972	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1334617"	377.040929	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"923123"	387.069686	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1303113"	423.046364	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1369605"	239.071424	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1386742"	257.0814	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"287519"	549.175476	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"681038"	823.259576	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1356299"	275.091376	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"132468"	275.091376	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"574214"	412.133426	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1039733"	138.049326	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"209827"	183.730009333333	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"653398"	275.091376	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1171886"	92.3686426666667	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"435523"	566.202023	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"792873"	840.286123	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1687018"	292.117923	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"338213"	283.6046495	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"726624"	420.6466995	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1483725"	146.5625995	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"402769"	571.157418	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"762306"	845.241518	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1613688"	297.073318	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"324453"	286.082347	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"711771"	423.124397	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1472153"	149.040297	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1056651"	99.6959566666666	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1259429"	307.117586	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"377879"	587.131358	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"738998"	861.215458	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1542142"	313.047258	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"302596"	294.069317	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"693194"	431.111367	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1445601"	157.027267	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"235820"	590.202026	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1210058"	316.117926	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1194754"	158.562601	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"196758"	593.13936	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"636316"	867.22346	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1138728"	319.05526	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"180926"	297.073318	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"616113"	434.115368	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1122898"	160.031268	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1400226"	107.023270666667	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1435257"	321.096846	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"222763"	302.10634	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1515207"	335.14889	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"410884"	305.060288	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"778079"	442.102338	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1666022"	168.018238	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"252541"	612.183968	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1226095"	338.099868	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1714138"	338.123393	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1179205"	114.350584666667	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1649986"	343.078788	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"157577"	625.08724	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"601274"	899.17134	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1086514"	351.00314	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"145520"	313.047258	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"585080"	450.089308	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1070319"	176.005208	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1102437"	353.017692	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1347943"	353.105307	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1011004"	357.144476	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1528039"	358.138108	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"1001049"	179.075876	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1598833"	359.052728	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1424495"	389.084238	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1154782"	199.589151	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1712601"	406.110785	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1646547"	411.06618	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1585477"	427.04012	"C08948"	"beta-Pyrufuran;124-Trimethoxy-3-dibenzofuranol"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"801702"	930.5188	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M"	0
"976252"	911.50041	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-H2O-H"	-19.01839
"67772"	619.338590666667	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M-3H"	-3.021828
"508427"	929.511524	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M-3H"	-3.021828
"882220"	309.165657333333	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-3H"	-3.021828
"2980"	929.511524	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M-2H"	-2.014552
"442178"	1394.770924	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M-2H"	-2.014552
"819978"	464.252124	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-2H"	-2.014552
"81067"	1860.030324	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M-H"	-1.007276
"520385"	2790.549124	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M-H"	-1.007276
"899525"	929.511524	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-H"	-1.007276
"52809"	1877.056871	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M-2H+NH4"	16.019271
"495650"	2807.575671	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M-2H+NH4"	16.019271
"870171"	946.538071	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-2H+NH4"	16.019271
"34060"	1882.012266	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M-2H+Na"	20.974666
"474351"	2812.531066	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M-2H+Na"	20.974666
"851420"	951.493466	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-2H+Na"	20.974666
"1623872"	951.493466	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Na-2H"	20.974666
"96021"	947.499863	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M-H+Cl"	33.962126
"534983"	1412.759263	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M-H+Cl"	33.962126
"930201"	482.240463	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-H+Cl"	33.962126
"267370"	1896.007002	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+Cl"	34.969402
"659976"	2826.525802	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+Cl"	34.969402
"1273019"	965.488202	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Cl"	34.969402
"15735"	1897.986206	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M-2H+K"	36.948606
"456793"	2828.505006	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M-2H+K"	36.948606
"843350"	967.467406	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-2H+K"	36.948606
"1570124"	967.467406	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+K-2H"	36.948606
"957848"	975.516994	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-H+HCOOH"	44.998194
"375978"	1906.035801	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+HCOOH-H"	44.998201
"360106"	1920.051451	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+Hac-H"	59.013851
"1507476"	989.532651	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Hac-H"	59.013851
"972102"	997.498951	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-H+NaCOOH"	66.980151
"125019"	965.488202	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+2Cl"	69.938804
"560570"	1430.747602	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+2Cl"	69.938804
"1034835"	500.228802	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2Cl"	69.938804
"1251135"	1009.437685	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Br"	78.918885
"1314677"	1011.493672	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Cl+HCOOH"	80.974872
"1327800"	1033.475629	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Cl+NaCOOH"	102.956829
"918859"	1043.504386	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M-H+CF3COOH"	112.985586
"1297753"	1079.481064	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Cl+CF3COOH"	148.962264
"1368622"	895.506124	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H-2H2O"	-35.012676
"1386852"	913.5161	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H-H2O"	-17.0027
"286901"	1862.044876	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+H"	1.007276
"687345"	2792.563676	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+H"	1.007276
"1364062"	931.526076	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H"	1.007276
"133666"	931.526076	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+2H"	2.014552
"572139"	1396.785476	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+2H"	2.014552
"1040936"	466.266676	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2H"	2.014552
"209937"	621.353142666667	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+3H"	3.021828
"651685"	931.526076	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+3H"	3.021828
"1173089"	311.180209333333	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+3H"	3.021828
"436362"	1879.071423	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+NH4"	18.033823
"795900"	2809.590223	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+NH4"	18.033823
"1687129"	948.552623	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+NH4"	18.033823
"336137"	940.0393495	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+H+NH4"	19.041099
"731837"	1405.2987495	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+H+NH4"	19.041099
"1490761"	474.7799495	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H+NH4"	19.041099
"405066"	1884.026818	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+Na"	22.989218
"764968"	2814.545618	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+Na"	22.989218
"1611608"	953.508018	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Na"	22.989218
"324927"	942.517047	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+H+Na"	23.996494
"711881"	1407.776447	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+H+Na"	23.996494
"1471899"	477.257647	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H+Na"	23.996494
"1062230"	318.507523333333	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2H+Na"	25.00377
"1258810"	963.552286	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+CH3OH+H"	33.033486
"377376"	1900.000758	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+K"	38.963158
"738588"	2830.519558	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+K"	38.963158
"1542254"	969.481958	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+K"	38.963158
"302708"	950.504017	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+H+K"	39.970434
"694763"	1415.763417	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+H+K"	39.970434
"1445709"	485.244617	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H+K"	39.970434
"235809"	1903.071426	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+ACN+H"	42.033826
"1210625"	972.552626	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+ACN+H"	42.033826
"1195229"	486.779951	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+ACN+2H"	43.041102
"197961"	1906.00876	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+2Na-H"	44.97116
"638614"	2836.52756	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+2Na-H"	44.97116
"1138838"	975.48996	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2Na-H"	44.97116
"181036"	953.508018	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+2Na"	45.978436
"619503"	1418.767418	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+2Na"	45.978436
"1125194"	488.248618	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2Na"	45.978436
"1406532"	325.834837333333	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H+2Na"	46.985712
"1440833"	977.531546	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H+HCOOH"	47.012746
"228340"	958.54104	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+3H2O+2H"	56.04448
"1514224"	991.58359	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+IsoProp+H"	61.06479
"410630"	961.494988	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+Na+K"	61.952376
"781106"	1426.754388	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+Na+K"	61.952376
"1671239"	496.235588	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Na+K"	61.952376
"253747"	1925.053368	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+ACN+Na"	64.015768
"1226575"	994.534568	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+ACN+Na"	64.015768
"1717165"	994.558093	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+NH4+HCOOH"	64.039293
"1178952"	333.162151333333	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+3Na"	68.967654
"1653138"	999.513488	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Na+HCOOH"	68.994688
"157688"	1937.95664	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+2K-H"	76.91904
"598465"	2868.47544	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+2K-H"	76.91904
"1085896"	1007.43784	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2K-H"	76.91904
"143805"	969.481958	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"2M+2K"	77.926316
"582878"	1434.741358	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"3M+2K"	77.926316
"1070065"	504.222558	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2K"	77.926316
"1104005"	1009.452392	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2K+H"	78.933592
"1349512"	1009.540007	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+DMSO+H"	79.021207
"1017676"	1013.579176	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2ACN+H"	83.060376
"1529242"	1014.572808	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+IsoProp+Na+H"	84.054008
"998973"	507.293226	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+2ACN+2H"	84.067652
"1595662"	1015.487428	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+K+HCOOH"	84.968628
"1424605"	1045.518938	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+H+CF3COOH"	115.000138
"1155985"	527.806501	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+3ACN+2H"	125.094202
"1712101"	1062.545485	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+NH4+CF3COOH"	132.026685
"1646657"	1067.50088	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+Na+CF3COOH"	136.98208
"1582307"	1083.47482	"C08949"	"Gypenoside XXV"	"C47H78O18"	"930.5188"	"M+K+CF3COOH"	152.95602
"809392"	470.3396	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M"	0
"977457"	451.32121	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-H2O-H"	-19.01839
"66791"	312.552457333333	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M-3H"	-3.021828
"512911"	469.332324	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M-3H"	-3.021828
"886340"	155.772590666667	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-3H"	-3.021828
"8195"	469.332324	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M-2H"	-2.014552
"444474"	704.502124	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M-2H"	-2.014552
"823370"	234.162524	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-2H"	-2.014552
"83364"	939.671924	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M-H"	-1.007276
"520741"	1410.011524	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M-H"	-1.007276
"899636"	469.332324	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-H"	-1.007276
"50733"	956.698471	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M-2H+NH4"	16.019271
"495760"	1427.038071	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M-2H+NH4"	16.019271
"871374"	486.358871	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-2H+NH4"	16.019271
"35993"	961.653866	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M-2H+Na"	20.974666
"479929"	1431.993466	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M-2H+Na"	20.974666
"852263"	491.314266	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-2H+Na"	20.974666
"1626169"	491.314266	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Na-2H"	20.974666
"97225"	487.320663	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M-H+Cl"	33.962126
"536796"	722.490463	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M-H+Cl"	33.962126
"931405"	252.150863	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-H+Cl"	33.962126
"268013"	975.648602	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+Cl"	34.969402
"660921"	1445.988202	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+Cl"	34.969402
"1274296"	505.309002	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Cl"	34.969402
"16493"	977.627806	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M-2H+K"	36.948606
"457996"	1447.967406	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M-2H+K"	36.948606
"843460"	507.288206	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-2H+K"	36.948606
"1570844"	507.288206	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+K-2H"	36.948606
"958338"	515.337794	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-H+HCOOH"	44.998194
"376577"	985.677401	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+HCOOH-H"	44.998201
"360215"	999.693051	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+Hac-H"	59.013851
"1507590"	529.353451	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Hac-H"	59.013851
"973314"	537.319751	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-H+NaCOOH"	66.980151
"124771"	505.309002	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+2Cl"	69.938804
"563601"	740.478802	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+2Cl"	69.938804
"1036287"	270.139202	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2Cl"	69.938804
"1256841"	549.258485	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Br"	78.918885
"1318802"	551.314472	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Cl+HCOOH"	80.974872
"1335449"	573.296429	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Cl+NaCOOH"	102.956829
"926586"	583.325186	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M-H+CF3COOH"	112.985586
"1304167"	619.301864	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Cl+CF3COOH"	148.962264
"1382710"	435.326924	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H-2H2O"	-35.012676
"1394613"	453.3369	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H-H2O"	-17.0027
"289927"	941.686476	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+H"	1.007276
"685632"	1412.026076	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+H"	1.007276
"1365629"	471.346876	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H"	1.007276
"133776"	471.346876	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+2H"	2.014552
"575525"	706.516676	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+2H"	2.014552
"1044327"	236.177076	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2H"	2.014552
"213327"	314.567009333333	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+3H"	3.021828
"656169"	471.346876	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+3H"	3.021828
"1176116"	157.787142666667	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+3H"	3.021828
"438294"	958.713023	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+NH4"	18.033823
"799290"	1429.052623	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+NH4"	18.033823
"1691614"	488.373423	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+NH4"	18.033823
"339892"	479.8601495	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+H+NH4"	19.041099
"731218"	715.0299495	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+H+NH4"	19.041099
"1480665"	244.6903495	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H+NH4"	19.041099
"402624"	963.668418	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+Na"	22.989218
"764349"	1434.008018	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+Na"	22.989218
"1611718"	493.328818	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Na"	22.989218
"325037"	482.337847	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+H+Na"	23.996494
"715271"	717.507647	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+H+Na"	23.996494
"1474560"	247.168047	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H+Na"	23.996494
"1067079"	165.114456666667	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2H+Na"	25.00377
"1267304"	503.373086	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+CH3OH+H"	33.033486
"378954"	979.642358	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+K"	38.963158
"742502"	1449.981958	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+K"	38.963158
"1544551"	509.302758	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+K"	38.963158
"305006"	490.324817	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+H+K"	39.970434
"696332"	725.494617	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+H+K"	39.970434
"1452344"	255.155017	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H+K"	39.970434
"243132"	982.713026	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+ACN+H"	42.033826
"1216934"	512.373426	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+ACN+H"	42.033826
"1195709"	256.690351	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+ACN+2H"	43.041102
"198071"	985.65036	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+2Na-H"	44.97116
"640547"	1455.98996	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+2Na-H"	44.97116
"1137855"	515.31076	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2Na-H"	44.97116
"185519"	493.328818	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+2Na"	45.978436
"619613"	728.498618	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+2Na"	45.978436
"1127857"	258.159018	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2Na"	45.978436
"1408830"	172.441770666667	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H+2Na"	46.985712
"1442403"	517.352346	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H+HCOOH"	47.012746
"230637"	498.36184	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+3H2O+2H"	56.04448
"1518706"	531.40439	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+IsoProp+H"	61.06479
"418392"	501.315788	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+Na+K"	61.952376
"781581"	736.485588	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+Na+K"	61.952376
"1670256"	266.145988	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Na+K"	61.952376
"257867"	1004.694968	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+ACN+Na"	64.015768
"1225956"	534.355368	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+ACN+Na"	64.015768
"1719463"	534.378893	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+NH4+HCOOH"	64.039293
"1179711"	179.769084666667	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+3Na"	68.967654
"1652521"	539.334288	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Na+HCOOH"	68.994688
"159381"	1017.59824	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+2K-H"	76.91904
"598576"	1487.93784	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+2K-H"	76.91904
"1086006"	547.25864	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2K-H"	76.91904
"143916"	509.302758	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"2M+2K"	77.926316
"584570"	744.472558	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"3M+2K"	77.926316
"1069119"	274.132958	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2K"	77.926316
"1103386"	549.273192	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2K+H"	78.933592
"1349257"	549.360807	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+DMSO+H"	79.021207
"1012317"	553.399976	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2ACN+H"	83.060376
"1526072"	554.393608	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+IsoProp+Na+H"	84.054008
"1001270"	277.203626	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+2ACN+2H"	84.067652
"1596865"	555.308228	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+K+HCOOH"	84.968628
"1424715"	585.339738	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+H+CF3COOH"	115.000138
"1158282"	297.716901	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+3ACN+2H"	125.094202
"1712211"	602.366285	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+NH4+CF3COOH"	132.026685
"1643487"	607.32168	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+Na+CF3COOH"	136.98208
"1582417"	623.29562	"C08950"	"Gypsogenin"	"C30H46O4"	"470.3396"	"M+K+CF3COOH"	152.95602
"801847"	428.1835	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M"	0
"975379"	409.16511	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-H2O-H"	-19.01839
"66900"	284.448390666667	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M-3H"	-3.021828
"505366"	427.176224	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M-3H"	-3.021828
"881830"	141.720557333333	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-3H"	-3.021828
"5023"	427.176224	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M-2H"	-2.014552
"443490"	641.267974	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M-2H"	-2.014552
"824574"	213.084474	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-2H"	-2.014552
"84567"	855.359724	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M-H"	-1.007276
"521215"	1283.543224	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M-H"	-1.007276
"899018"	427.176224	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-H"	-1.007276
"51936"	872.386271	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M-2H+NH4"	16.019271
"496963"	1300.569771	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M-2H+NH4"	16.019271
"871484"	444.202771	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-2H+NH4"	16.019271
"36103"	877.341666	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M-2H+Na"	20.974666
"477852"	1305.525166	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M-2H+Na"	20.974666
"852374"	449.158166	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-2H+Na"	20.974666
"1628466"	449.158166	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Na-2H"	20.974666
"98433"	445.164563	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M-H+Cl"	33.962126
"538360"	659.256313	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M-H+Cl"	33.962126
"931512"	231.072813	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-H+Cl"	33.962126
"268731"	891.336402	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+Cl"	34.969402
"662489"	1319.519902	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+Cl"	34.969402
"1277080"	463.152902	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Cl"	34.969402
"17452"	893.315606	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M-2H+K"	36.948606
"461385"	1321.499106	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M-2H+K"	36.948606
"847218"	465.132106	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-2H+K"	36.948606
"1570467"	465.132106	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+K-2H"	36.948606
"958287"	473.181694	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-H+HCOOH"	44.998194
"376323"	901.365201	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+HCOOH-H"	44.998201
"359961"	915.380851	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+Hac-H"	59.013851
"1507459"	487.197351	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Hac-H"	59.013851
"973179"	495.163651	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-H+NaCOOH"	66.980151
"124881"	463.152902	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+2Cl"	69.938804
"562983"	677.244652	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+2Cl"	69.938804
"1035062"	249.061152	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2Cl"	69.938804
"1256464"	507.102385	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Br"	78.918885
"1318182"	509.158372	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Cl+HCOOH"	80.974872
"1335192"	531.140329	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Cl+NaCOOH"	102.956829
"926818"	541.169086	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M-H+CF3COOH"	112.985586
"1304056"	577.145764	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Cl+CF3COOH"	148.962264
"1380872"	393.170824	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H-2H2O"	-35.012676
"1396550"	411.1808	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H-H2O"	-17.0027
"290037"	857.374276	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+H"	1.007276
"685378"	1285.557776	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+H"	1.007276
"1364645"	429.190776	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H"	1.007276
"136073"	429.190776	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+2H"	2.014552
"571259"	643.282526	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+2H"	2.014552
"1043343"	215.099026	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2H"	2.014552
"210157"	286.462942666667	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+3H"	3.021828
"658103"	429.190776	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+3H"	3.021828
"1175498"	143.735109333333	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+3H"	3.021828
"434395"	874.400823	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+NH4"	18.033823
"795391"	1302.584323	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+NH4"	18.033823
"1692453"	446.217323	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+NH4"	18.033823
"337815"	437.7040495	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+H+NH4"	19.041099
"728048"	651.7957995	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+H+NH4"	19.041099
"1484055"	223.6122995	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H+NH4"	19.041099
"402734"	879.356218	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+Na"	22.989218
"765917"	1307.539718	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+Na"	22.989218
"1615108"	451.172718	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Na"	22.989218
"320772"	440.181747	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+H+Na"	23.996494
"714287"	654.273497	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+H+Na"	23.996494
"1470296"	226.089997	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H+Na"	23.996494
"1067553"	151.062423333333	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2H+Na"	25.00377
"1268507"	461.216986	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+CH3OH+H"	33.033486
"381617"	895.330158	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+K"	38.963158
"743705"	1323.513658	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+K"	38.963158
"1546847"	467.146658	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+K"	38.963158
"308396"	448.168717	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+H+K"	39.970434
"698629"	662.260467	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+H+K"	39.970434
"1454640"	234.076967	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H+K"	39.970434
"244335"	898.400826	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+ACN+H"	42.033826
"1217044"	470.217326	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+ACN+H"	42.033826
"1196551"	235.612301	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+ACN+2H"	43.041102
"199274"	901.33816	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+2Na-H"	44.97116
"638834"	1329.52166	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+2Na-H"	44.97116
"1141245"	473.15466	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2Na-H"	44.97116
"185265"	451.172718	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+2Na"	45.978436
"623003"	665.264468	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+2Na"	45.978436
"1126511"	237.080968	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2Na"	45.978436
"1408941"	158.389737333333	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H+2Na"	46.985712
"1438868"	475.196246	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H+HCOOH"	47.012746
"231845"	456.20574	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+3H2O+2H"	56.04448
"1518816"	489.24829	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+IsoProp+H"	61.06479
"416315"	459.159688	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+Na+K"	61.952376
"780233"	673.251438	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+Na+K"	61.952376
"1672553"	245.067938	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Na+K"	61.952376
"256883"	920.382768	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+ACN+Na"	64.015768
"1227767"	492.199268	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+ACN+Na"	64.015768
"1719573"	492.222793	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+NH4+HCOOH"	64.039293
"1181279"	165.717051333333	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+3Na"	68.967654
"1654817"	497.178188	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Na+HCOOH"	68.994688
"160219"	933.28604	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+2K-H"	76.91904
"599171"	1361.46954	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+2K-H"	76.91904
"1086110"	505.10254	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2K-H"	76.91904
"143292"	467.146658	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"2M+2K"	77.926316
"583338"	681.238408	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"3M+2K"	77.926316
"1070283"	253.054908	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2K"	77.926316
"1101671"	507.117092	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2K+H"	78.933592
"1348273"	507.204707	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+DMSO+H"	79.021207
"1014614"	511.243876	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2ACN+H"	83.060376
"1528367"	512.237508	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+IsoProp+Na+H"	84.054008
"999193"	256.125576	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+2ACN+2H"	84.067652
"1594788"	513.152128	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+K+HCOOH"	84.968628
"1426647"	543.183638	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+H+CF3COOH"	115.000138
"1152924"	276.638851	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+3ACN+2H"	125.094202
"1711228"	560.210185	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+NH4+CF3COOH"	132.026685
"1646877"	565.16558	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+Na+CF3COOH"	136.98208
"1582527"	581.13952	"C08951"	"Pseudorhodomyrtoxin;psi-Rhodomyrtoxin"	"C24H28O7"	"428.1835"	"M+K+CF3COOH"	152.95602
"804145"	792.4296	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M"	0
"978770"	773.41121	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-H2O-H"	-19.01839
"73571"	527.279124	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M-3H"	-3.021828
"513131"	791.422324	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M-3H"	-3.021828
"887652"	263.135924	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-3H"	-3.021828
"5136"	791.422324	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M-2H"	-2.014552
"445788"	1187.637124	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M-2H"	-2.014552
"824683"	395.207524	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-2H"	-2.014552
"83586"	1583.851924	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M-H"	-1.007276
"520230"	2376.281524	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M-H"	-1.007276
"898764"	791.422324	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-H"	-1.007276
"51317"	1600.878471	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M-2H+NH4"	16.019271
"497074"	2393.308071	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M-2H+NH4"	16.019271
"872688"	808.448871	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-2H+NH4"	16.019271
"38401"	1605.833866	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M-2H+Na"	20.974666
"480149"	2398.263466	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M-2H+Na"	20.974666
"855764"	813.404266	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-2H+Na"	20.974666
"1628576"	813.404266	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Na-2H"	20.974666
"98546"	809.410663	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M-H+Cl"	33.962126
"538834"	1205.625463	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M-H+Cl"	33.962126
"932712"	413.195863	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-H+Cl"	33.962126
"270907"	1619.828602	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+Cl"	34.969402
"662602"	2412.258202	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+Cl"	34.969402
"1277191"	827.399002	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Cl"	34.969402
"18656"	1621.807806	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M-2H+K"	36.948606
"462589"	2414.237406	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M-2H+K"	36.948606
"847652"	829.378206	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-2H+K"	36.948606
"1570416"	829.378206	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+K-2H"	36.948606
"958400"	837.427794	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-H+HCOOH"	44.998194
"376312"	1629.857401	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+HCOOH-H"	44.998201
"359708"	1643.873051	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+Hac-H"	59.013851
"1507934"	851.443451	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Hac-H"	59.013851
"973246"	859.409751	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-H+NaCOOH"	66.980151
"123896"	827.399002	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+2Cl"	69.938804
"564549"	1223.613802	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+2Cl"	69.938804
"1036261"	431.184202	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2Cl"	69.938804
"1256534"	871.348485	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Br"	78.918885
"1319588"	873.404472	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Cl+HCOOH"	80.974872
"1334692"	895.386429	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Cl+NaCOOH"	102.956829
"922105"	905.415186	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M-H+CF3COOH"	112.985586
"1304074"	941.391864	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Cl+CF3COOH"	148.962264
"1382637"	757.416924	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H-2H2O"	-35.012676
"1397753"	775.4269	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H-H2O"	-17.0027
"295249"	1585.866476	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+H"	1.007276
"686217"	2378.296076	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+H"	1.007276
"1357098"	793.436876	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H"	1.007276
"135819"	793.436876	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+2H"	2.014552
"572462"	1189.651676	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+2H"	2.014552
"1042356"	397.222076	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2H"	2.014552
"210267"	529.293676	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+3H"	3.021828
"656756"	793.436876	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+3H"	3.021828
"1175972"	265.150476	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+3H"	3.021828
"436692"	1602.893023	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+NH4"	18.033823
"798416"	2395.322623	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+NH4"	18.033823
"1689646"	810.463423	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+NH4"	18.033823
"342297"	801.9501495	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+H+NH4"	19.041099
"728157"	1198.1649495	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+H+NH4"	19.041099
"1481978"	405.7353495	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H+NH4"	19.041099
"402844"	1607.848418	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+Na"	22.989218
"766756"	2400.278018	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+Na"	22.989218
"1611938"	815.418818	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Na"	22.989218
"325256"	804.427847	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+H+Na"	23.996494
"714397"	1200.642647	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+H+Na"	23.996494
"1470406"	408.213047	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H+Na"	23.996494
"1067784"	272.47779	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2H+Na"	25.00377
"1269710"	825.463086	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+CH3OH+H"	33.033486
"391572"	1623.822358	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+K"	38.963158
"747095"	2416.251958	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+K"	38.963158
"1549144"	831.392758	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+K"	38.963158
"308507"	812.414817	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+H+K"	39.970434
"699833"	1208.629617	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+H+K"	39.970434
"1454750"	416.200017	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H+K"	39.970434
"246632"	1626.893026	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+ACN+H"	42.033826
"1217154"	834.463426	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+ACN+H"	42.033826
"1195204"	417.735351	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+ACN+2H"	43.041102
"199384"	1629.83036	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+2Na-H"	44.97116
"638944"	2422.25996	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+2Na-H"	44.97116
"1143542"	837.40076	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2Na-H"	44.97116
"184646"	815.418818	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+2Na"	45.978436
"625300"	1211.633618	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+2Na"	45.978436
"1129537"	419.204018	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2Na"	45.978436
"1410146"	279.805104	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H+2Na"	46.985712
"1442624"	839.442346	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H+HCOOH"	47.012746
"233049"	820.45184	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+3H2O+2H"	56.04448
"1518926"	853.49439	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+IsoProp+H"	61.06479
"418612"	823.405788	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+Na+K"	61.952376
"783259"	1219.620588	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+Na+K"	61.952376
"1677036"	427.190988	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Na+K"	61.952376
"256993"	1648.874968	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+ACN+Na"	64.015768
"1232979"	856.445368	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+ACN+Na"	64.015768
"1718219"	856.468893	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+NH4+HCOOH"	64.039293
"1186128"	287.132418	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+3Na"	68.967654
"1656020"	861.424288	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Na+HCOOH"	68.994688
"162880"	1661.77824	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+2K-H"	76.91904
"601710"	2454.20784	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+2K-H"	76.91904
"1087314"	869.34864	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2K-H"	76.91904
"144859"	831.392758	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"2M+2K"	77.926316
"583935"	1227.607558	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"3M+2K"	77.926316
"1071487"	435.177958	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2K"	77.926316
"1104333"	871.363192	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2K+H"	78.933592
"1349114"	871.450807	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+DMSO+H"	79.021207
"1015817"	875.489976	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2ACN+H"	83.060376
"1530664"	876.483608	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+IsoProp+Na+H"	84.054008
"999303"	438.248626	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+2ACN+2H"	84.067652
"1594898"	877.398228	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+K+HCOOH"	84.968628
"1424935"	907.429738	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+H+CF3COOH"	115.000138
"1153034"	458.761901	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+3ACN+2H"	125.094202
"1710974"	924.456285	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+NH4+CF3COOH"	132.026685
"1646987"	929.41168	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+Na+CF3COOH"	136.98208
"1582637"	945.38562	"C08952"	"Gypsogenin 3-O-rhamnosylglucuronide"	"C42H64O14"	"792.4296"	"M+K+CF3COOH"	152.95602
"802553"	604.3975	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M"	0
"975600"	585.37911	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-H2O-H"	-19.01839
"69308"	401.924390666667	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M-3H"	-3.021828
"508868"	603.390224	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M-3H"	-3.021828
"882296"	200.458557333333	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-3H"	-3.021828
"1966"	603.390224	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M-2H"	-2.014552
"442618"	905.588974	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M-2H"	-2.014552
"822608"	301.191474	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-2H"	-2.014552
"80416"	1207.787724	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M-H"	-1.007276
"519127"	1812.185224	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M-H"	-1.007276
"896038"	603.390224	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-H"	-1.007276
"51427"	1224.814271	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M-2H+NH4"	16.019271
"497184"	1829.211771	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M-2H+NH4"	16.019271
"869518"	620.416771	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-2H+NH4"	16.019271
"34502"	1229.769666	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M-2H+Na"	20.974666
"477343"	1834.167166	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M-2H+Na"	20.974666
"854781"	625.372166	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-2H+Na"	20.974666
"1625406"	625.372166	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Na-2H"	20.974666
"99750"	621.378563	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M-H+Cl"	33.962126
"536394"	923.577313	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M-H+Cl"	33.962126
"929543"	319.179813	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-H+Cl"	33.962126
"269195"	1243.764402	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+Cl"	34.969402
"663076"	1848.161902	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+Cl"	34.969402
"1274022"	639.366902	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Cl"	34.969402
"17673"	1245.743606	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M-2H+K"	36.948606
"459420"	1850.141106	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M-2H+K"	36.948606
"847805"	641.346106	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-2H+K"	36.948606
"1571180"	641.346106	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+K-2H"	36.948606
"958333"	649.395694	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-H+HCOOH"	44.998194
"376624"	1253.793201	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+HCOOH-H"	44.998201
"360179"	1267.808851	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+Hac-H"	59.013851
"1507431"	663.411351	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Hac-H"	59.013851
"973880"	671.377651	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-H+NaCOOH"	66.980151
"123635"	639.366902	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+2Cl"	69.938804
"565019"	941.565652	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+2Cl"	69.938804
"1036371"	337.168152	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2Cl"	69.938804
"1256560"	683.316385	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Br"	78.918885
"1319128"	685.372372	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Cl+HCOOH"	80.974872
"1331520"	707.354329	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Cl+NaCOOH"	102.956829
"926796"	717.383086	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M-H+CF3COOH"	112.985586
"1304061"	753.359764	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Cl+CF3COOH"	148.962264
"1382684"	569.384824	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H-2H2O"	-35.012676
"1397498"	587.3948	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H-H2O"	-17.0027
"292444"	1209.802276	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+H"	1.007276
"680494"	1814.199776	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+H"	1.007276
"1359030"	605.404776	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H"	1.007276
"136293"	605.404776	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+2H"	2.014552
"570749"	907.603526	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+2H"	2.014552
"1040644"	303.206026	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2H"	2.014552
"217664"	403.938942666667	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+3H"	3.021828
"655405"	605.404776	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+3H"	3.021828
"1173531"	202.473109333333	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+3H"	3.021828
"436803"	1226.828823	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+NH4"	18.033823
"798526"	1831.226323	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+NH4"	18.033823
"1687569"	622.431323	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+NH4"	18.033823
"340220"	613.9180495	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+H+NH4"	19.041099
"730454"	916.1167995	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+H+NH4"	19.041099
"1484275"	311.7192995	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H+NH4"	19.041099
"402954"	1231.784218	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+Na"	22.989218
"766868"	1836.181718	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+Na"	22.989218
"1616423"	627.386718	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Na"	22.989218
"328650"	616.395747	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+H+Na"	23.996494
"718880"	918.594497	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+H+Na"	23.996494
"1469423"	314.196997	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H+Na"	23.996494
"1067773"	209.800423333333	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2H+Na"	25.00377
"1268726"	637.430986	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+CH3OH+H"	33.033486
"391680"	1247.758158	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+K"	38.963158
"751577"	1852.155658	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+K"	38.963158
"1550349"	643.360658	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+K"	38.963158
"303149"	624.382717	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+H+K"	39.970434
"694478"	926.581467	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+H+K"	39.970434
"1454860"	322.183967	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H+K"	39.970434
"244555"	1250.828826	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+ACN+H"	42.033826
"1219452"	646.431326	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+ACN+H"	42.033826
"1200054"	323.719301	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+ACN+2H"	43.041102
"198401"	1253.76616	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+2Na-H"	44.97116
"636868"	1858.16366	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+2Na-H"	44.97116
"1142558"	649.36866	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2Na-H"	44.97116
"179290"	627.386718	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+2Na"	45.978436
"616664"	929.585468	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+2Na"	45.978436
"1127824"	325.187968	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2Na"	45.978436
"1412806"	217.127737333333	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H+2Na"	46.985712
"1444884"	651.410246	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H+HCOOH"	47.012746
"233160"	632.41974	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+3H2O+2H"	56.04448
"1521223"	665.46229	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+IsoProp+H"	61.06479
"422002"	635.373688	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+Na+K"	61.952376
"781547"	937.572438	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+Na+K"	61.952376
"1674960"	333.174938	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Na+K"	61.952376
"259291"	1272.810768	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+ACN+Na"	64.015768
"1230904"	668.413268	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+ACN+Na"	64.015768
"1717600"	668.436793	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+NH4+HCOOH"	64.039293
"1184053"	224.455051333333	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+3Na"	68.967654
"1657223"	673.392188	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Na+HCOOH"	68.994688
"165177"	1285.71404	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+2K-H"	76.91904
"600727"	1890.11154	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+2K-H"	76.91904
"1087061"	681.31654	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2K-H"	76.91904
"146427"	643.360658	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"2M+2K"	77.926316
"584530"	945.559408	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"3M+2K"	77.926316
"1071597"	341.161908	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2K"	77.926316
"1101889"	683.331092	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2K+H"	78.933592
"1346301"	683.418707	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+DMSO+H"	79.021207
"1013740"	687.457876	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2ACN+H"	83.060376
"1529681"	688.451508	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+IsoProp+Na+H"	84.054008
"1001599"	344.232576	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+2ACN+2H"	84.067652
"1595008"	689.366128	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+K+HCOOH"	84.968628
"1425045"	719.397638	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+H+CF3COOH"	115.000138
"1154237"	364.745851	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+3ACN+2H"	125.094202
"1710354"	736.424185	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+NH4+CF3COOH"	132.026685
"1647097"	741.37958	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+Na+CF3COOH"	136.98208
"1582747"	757.35352	"C08953"	"Hederagenin 3-O-arabinoside;Cauloside A"	"C35H56O8"	"604.3975"	"M+K+CF3COOH"	152.95602
"801609"	750.4554	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M"	0
"974981"	731.43701	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-H2O-H"	-19.01839
"66138"	499.296324	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M-3H"	-3.021828
"505698"	749.448124	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M-3H"	-3.021828
"882407"	249.144524	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-3H"	-3.021828
"858"	749.448124	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M-2H"	-2.014552
"443822"	1124.675824	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M-2H"	-2.014552
"822718"	374.220424	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-2H"	-2.014552
"79554"	1499.903524	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M-H"	-1.007276
"519116"	2250.358924	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M-H"	-1.007276
"896310"	749.448124	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-H"	-1.007276
"52266"	1516.930071	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M-2H+NH4"	16.019271
"498387"	2267.385471	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M-2H+NH4"	16.019271
"869628"	766.474671	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-2H+NH4"	16.019271
"36435"	1521.885466	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M-2H+Na"	20.974666
"477089"	2272.340866	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M-2H+Na"	20.974666
"861451"	771.430066	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-2H+Na"	20.974666
"1628796"	771.430066	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Na-2H"	20.974666
"97673"	767.436463	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M-H+Cl"	33.962126
"536140"	1142.664163	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M-H+Cl"	33.962126
"928558"	392.208763	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-H+Cl"	33.962126
"268696"	1535.880202	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+Cl"	34.969402
"661729"	2286.335602	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+Cl"	34.969402
"1272783"	785.424802	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Cl"	34.969402
"18876"	1537.859406	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M-2H+K"	36.948606
"458801"	2288.314806	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M-2H+K"	36.948606
"848267"	787.404006	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-2H+K"	36.948606
"1571172"	787.404006	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+K-2H"	36.948606
"957957"	795.453594	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-H+HCOOH"	44.998194
"376885"	1545.909001	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+HCOOH-H"	44.998201
"360170"	1559.924651	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+Hac-H"	59.013851
"1506570"	809.469251	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Hac-H"	59.013851
"971927"	817.435551	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-H+NaCOOH"	66.980151
"124479"	785.424802	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+2Cl"	69.938804
"564766"	1160.652502	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+2Cl"	69.938804
"1035753"	410.197102	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2Cl"	69.938804
"1256060"	829.374285	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Br"	78.918885
"1319238"	831.430272	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Cl+HCOOH"	80.974872
"1334795"	853.412229	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Cl+NaCOOH"	102.956829
"926787"	863.440986	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M-H+CF3COOH"	112.985586
"1303046"	899.417664	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Cl+CF3COOH"	148.962264
"1381934"	715.442724	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H-2H2O"	-35.012676
"1397244"	733.4527	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H-H2O"	-17.0027
"291461"	1501.918076	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+H"	1.007276
"677687"	2252.373476	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+H"	1.007276
"1354766"	751.462676	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H"	1.007276
"136403"	751.462676	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+2H"	2.014552
"572684"	1126.690376	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+2H"	2.014552
"1040391"	376.234976	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2H"	2.014552
"217774"	501.310876	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+3H"	3.021828
"657336"	751.462676	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+3H"	3.021828
"1172547"	251.159076	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+3H"	3.021828
"436913"	1518.944623	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+NH4"	18.033823
"798636"	2269.400023	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+NH4"	18.033823
"1687679"	768.489223	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+NH4"	18.033823
"339237"	759.9759495	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+H+NH4"	19.041099
"730564"	1135.2036495	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+H+NH4"	19.041099
"1487665"	384.7482495	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H+NH4"	19.041099
"405251"	1523.900018	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+Na"	22.989218
"766247"	2274.355418	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+Na"	22.989218
"1617020"	773.444618	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Na"	22.989218
"329612"	762.453647	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+H+Na"	23.996494
"720815"	1137.681347	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+H+Na"	23.996494
"1470626"	387.225947	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H+Na"	23.996494
"1067640"	258.48639	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2H+Na"	25.00377
"1269928"	783.488886	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+CH3OH+H"	33.033486
"387413"	1539.873958	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+K"	38.963158
"748409"	2290.329358	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+K"	38.963158
"1548272"	789.418558	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+K"	38.963158
"303259"	770.440617	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+H+K"	39.970434
"695681"	1145.668317	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+H+K"	39.970434
"1454970"	395.212917	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H+K"	39.970434
"242478"	1542.944626	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+ACN+H"	42.033826
"1217376"	792.489226	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+ACN+H"	42.033826
"1200164"	396.748251	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+ACN+2H"	43.041102
"198511"	1545.88196	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+2Na-H"	44.97116
"638071"	2296.33736	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+2Na-H"	44.97116
"1139389"	795.42656	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2Na-H"	44.97116
"181587"	773.444618	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+2Na"	45.978436
"619325"	1148.672318	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+2Na"	45.978436
"1127569"	398.216918	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2Na"	45.978436
"1412552"	265.813704	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H+2Na"	46.985712
"1442482"	797.468146	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H+HCOOH"	47.012746
"233271"	778.47764	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+3H2O+2H"	56.04448
"1519146"	811.52019	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+IsoProp+H"	61.06479
"416645"	781.431588	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+Na+K"	61.952376
"782750"	1156.659288	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+Na+K"	61.952376
"1677257"	406.203888	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Na+K"	61.952376
"257214"	1564.926568	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+ACN+Na"	64.015768
"1229919"	814.471168	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+ACN+Na"	64.015768
"1716252"	814.494693	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+NH4+HCOOH"	64.039293
"1183070"	273.141018	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+3Na"	68.967654
"1655874"	819.450088	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Na+HCOOH"	68.994688
"164193"	1577.82984	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+2K-H"	76.91904
"599744"	2328.28524	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+2K-H"	76.91904
"1086442"	827.37444	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2K-H"	76.91904
"144715"	789.418558	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"2M+2K"	77.926316
"583546"	1164.646258	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"3M+2K"	77.926316
"1070976"	414.190858	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2K"	77.926316
"1101148"	829.388992	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2K+H"	78.933592
"1347504"	829.476607	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+DMSO+H"	79.021207
"1010566"	833.515776	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2ACN+H"	83.060376
"1530884"	834.509408	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+IsoProp+Na+H"	84.054008
"1000615"	417.261526	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+2ACN+2H"	84.067652
"1595118"	835.424028	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+K+HCOOH"	84.968628
"1425155"	865.455538	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+H+CF3COOH"	115.000138
"1151067"	437.774801	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+3ACN+2H"	125.094202
"1710464"	882.482085	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+NH4+CF3COOH"	132.026685
"1647207"	887.43748	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+Na+CF3COOH"	136.98208
"1582857"	903.41142	"C08954"	"alpha-Hederin"	"C41H66O12"	"750.4554"	"M+K+CF3COOH"	152.95602
"803382"	734.4605	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M"	0
"974727"	715.44211	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-H2O-H"	-19.01839
"66248"	488.633057333333	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M-3H"	-3.021828
"503621"	733.453224	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M-3H"	-3.021828
"882517"	243.812890666667	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-3H"	-3.021828
"764"	733.453224	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M-2H"	-2.014552
"443932"	1100.683474	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M-2H"	-2.014552
"820640"	366.222974	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-2H"	-2.014552
"79543"	1467.913724	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M-H"	-1.007276
"521292"	2202.374224	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M-H"	-1.007276
"899094"	733.453224	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-H"	-1.007276
"51283"	1484.940271	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M-2H+NH4"	16.019271
"497404"	2219.400771	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M-2H+NH4"	16.019271
"869738"	750.479771	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-2H+NH4"	16.019271
"36545"	1489.895666	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M-2H+Na"	20.974666
"477199"	2224.356166	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M-2H+Na"	20.974666
"859375"	755.435166	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-2H+Na"	20.974666
"1627813"	755.435166	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Na-2H"	20.974666
"96690"	751.441563	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M-H+Cl"	33.962126
"537343"	1118.671813	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M-H+Cl"	33.962126
"928670"	384.211313	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-H+Cl"	33.962126
"268321"	1503.890402	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+Cl"	34.969402
"661839"	2238.350902	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+Cl"	34.969402
"1273143"	769.429902	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Cl"	34.969402
"16801"	1505.869606	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M-2H+K"	36.948606
"457455"	2240.330106	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M-2H+K"	36.948606
"847297"	771.409106	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-2H+K"	36.948606
"1570671"	771.409106	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+K-2H"	36.948606
"958107"	779.458694	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-H+HCOOH"	44.998194
"376523"	1513.919201	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+HCOOH-H"	44.998201
"358579"	1527.934851	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+Hac-H"	59.013851
"1505588"	793.474351	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Hac-H"	59.013851
"970578"	801.440651	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-H+NaCOOH"	66.980151
"122762"	769.429902	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+2Cl"	69.938804
"562688"	1136.660152	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+2Cl"	69.938804
"1033307"	402.199652	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2Cl"	69.938804
"1253617"	813.379385	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Br"	78.918885
"1317891"	815.435372	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Cl+HCOOH"	80.974872
"1334295"	837.417329	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Cl+NaCOOH"	102.956829
"926205"	847.446086	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M-H+CF3COOH"	112.985586
"1303034"	883.422764	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Cl+CF3COOH"	148.962264
"1381439"	699.447824	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H-2H2O"	-35.012676
"1397112"	717.4578	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H-H2O"	-17.0027
"296312"	1469.928276	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+H"	1.007276
"682899"	2204.388776	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+H"	1.007276
"1354147"	735.467776	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H"	1.007276
"135419"	735.467776	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+2H"	2.014552
"572794"	1102.698026	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+2H"	2.014552
"1040501"	368.237526	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2H"	2.014552
"216790"	490.647609333333	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+3H"	3.021828
"658539"	735.467776	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+3H"	3.021828
"1176302"	245.827442666667	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+3H"	3.021828
"438119"	1486.954823	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+NH4"	18.033823
"797652"	2221.415323	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+NH4"	18.033823
"1693257"	752.494323	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+NH4"	18.033823
"342627"	743.9810495	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+H+NH4"	19.041099
"731768"	1111.2112995	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+H+NH4"	19.041099
"1487775"	376.7507995	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H+NH4"	19.041099
"405361"	1491.910218	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+Na"	22.989218
"768667"	2226.370718	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+Na"	22.989218
"1616645"	757.449718	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Na"	22.989218
"329605"	746.458747	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+H+Na"	23.996494
"720925"	1113.688997	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+H+Na"	23.996494
"1467454"	379.228497	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H+Na"	23.996494
"1067021"	253.154756666667	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2H+Na"	25.00377
"1268946"	767.493986	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+CH3OH+H"	33.033486
"386430"	1507.884158	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+K"	38.963158
"747422"	2242.344658	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+K"	38.963158
"1549475"	773.423658	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+K"	38.963158
"307743"	754.445717	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+H+K"	39.970434
"697978"	1121.675967	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+H+K"	39.970434
"1453987"	387.215467	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H+K"	39.970434
"242588"	1510.954826	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+ACN+H"	42.033826
"1215298"	776.494326	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+ACN+H"	42.033826
"1196994"	388.750801	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+ACN+2H"	43.041102
"197528"	1513.89216	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+2Na-H"	44.97116
"638182"	2248.35266	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+2Na-H"	44.97116
"1142415"	779.43166	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2Na-H"	44.97116
"182427"	757.449718	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+2Na"	45.978436
"623445"	1124.679968	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+2Na"	45.978436
"1128410"	390.219468	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2Na"	45.978436
"1411206"	260.482070666667	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H+2Na"	46.985712
"1442230"	781.473246	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H+HCOOH"	47.012746
"234111"	762.48274	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+3H2O+2H"	56.04448
"1518528"	795.52529	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+IsoProp+H"	61.06479
"416755"	765.436688	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+Na+K"	61.952376
"783953"	1132.666938	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+Na+K"	61.952376
"1675180"	398.206438	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Na+K"	61.952376
"258418"	1532.936768	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+ACN+Na"	64.015768
"1228937"	798.476268	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+ACN+Na"	64.015768
"1718186"	798.499793	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+NH4+HCOOH"	64.039293
"1185366"	267.809384666667	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+3Na"	68.967654
"1656349"	803.455188	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Na+HCOOH"	68.994688
"165397"	1545.84004	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+2K-H"	76.91904
"600220"	2280.30054	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+2K-H"	76.91904
"1088375"	811.37954	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2K-H"	76.91904
"144097"	773.423658	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"2M+2K"	77.926316
"584022"	1140.653908	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"3M+2K"	77.926316
"1070722"	406.193408	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2K"	77.926316
"1102108"	813.394092	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2K+H"	78.933592
"1343240"	813.481707	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+DMSO+H"	79.021207
"1008850"	817.520876	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2ACN+H"	83.060376
"1529900"	818.514508	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+IsoProp+Na+H"	84.054008
"1000726"	409.264076	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+2ACN+2H"	84.067652
"1598508"	819.429128	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+K+HCOOH"	84.968628
"1425265"	849.460638	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+H+CF3COOH"	115.000138
"1151177"	429.777351	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+3ACN+2H"	125.094202
"1707294"	866.487185	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+NH4+CF3COOH"	132.026685
"1646224"	871.44258	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+Na+CF3COOH"	136.98208
"1582967"	887.41652	"C08955"	"beta-Hederin"	"C41H66O11"	"734.4605"	"M+K+CF3COOH"	152.95602
"802762"	1058.5662	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M"	0
"975200"	1039.54781	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-H2O-H"	-19.01839
"66358"	704.703524	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M-3H"	-3.021828
"507011"	1057.558924	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M-3H"	-3.021828
"884813"	351.848124	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-3H"	-3.021828
"2295"	1057.558924	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M-2H"	-2.014552
"446228"	1586.842024	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M-2H"	-2.014552
"821843"	528.275824	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-2H"	-2.014552
"80015"	2116.125124	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M-H"	-1.007276
"522495"	3174.691324	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M-H"	-1.007276
"899204"	1057.558924	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-H"	-1.007276
"52486"	2133.151671	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M-2H+NH4"	16.019271
"495327"	3191.717871	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M-2H+NH4"	16.019271
"866568"	1074.585471	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-2H+NH4"	16.019271
"34468"	2138.107066	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M-2H+Na"	20.974666
"477309"	3196.673266	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M-2H+Na"	20.974666
"861671"	1079.540866	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-2H+Na"	20.974666
"1633390"	1079.540866	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Na-2H"	20.974666
"96800"	1075.547263	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M-H+Cl"	33.962126
"537453"	1604.830363	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M-H+Cl"	33.962126
"932060"	546.264163	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-H+Cl"	33.962126
"268795"	2152.101802	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+Cl"	34.969402
"661949"	3210.668002	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+Cl"	34.969402
"1273982"	1093.535602	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Cl"	34.969402
"19098"	2154.081006	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M-2H+K"	36.948606
"456955"	3212.647206	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M-2H+K"	36.948606
"847531"	1095.514806	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-2H+K"	36.948606
"1571041"	1095.514806	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+K-2H"	36.948606
"956719"	1103.564394	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-H+HCOOH"	44.998194
"375902"	2162.130601	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+HCOOH-H"	44.998201
"359661"	2176.146251	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+Hac-H"	59.013851
"1505693"	1117.580051	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Hac-H"	59.013851
"970684"	1125.546351	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-H+NaCOOH"	66.980151
"122873"	1093.535602	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+2Cl"	69.938804
"561703"	1622.818702	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+2Cl"	69.938804
"1031230"	564.252502	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2Cl"	69.938804
"1252999"	1137.485085	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Br"	78.918885
"1318730"	1139.541072	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Cl+HCOOH"	80.974872
"1334647"	1161.523029	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Cl+NaCOOH"	102.956829
"926394"	1171.551786	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M-H+CF3COOH"	112.985586
"1301076"	1207.528464	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Cl+CF3COOH"	148.962264
"1381912"	1023.553524	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H-2H2O"	-35.012676
"1397951"	1041.5635	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H-H2O"	-17.0027
"294963"	2118.139676	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+H"	1.007276
"690665"	3176.705876	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+H"	1.007276
"1358266"	1059.573476	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H"	1.007276
"134801"	1059.573476	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+2H"	2.014552
"572540"	1588.856576	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+2H"	2.014552
"1040611"	530.290376	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2H"	2.014552
"215807"	706.718076	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+3H"	3.021828
"656462"	1059.573476	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+3H"	3.021828
"1175682"	353.862676	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+3H"	3.021828
"439901"	2135.166223	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+NH4"	18.033823
"798126"	3193.732423	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+NH4"	18.033823
"1696812"	1076.600023	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+NH4"	18.033823
"343829"	1068.0867495	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+H+NH4"	19.041099
"732971"	1597.3698495	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+H+NH4"	19.041099
"1485698"	538.8036495	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H+NH4"	19.041099
"407659"	2140.121618	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+Na"	22.989218
"769383"	3198.687818	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+Na"	22.989218
"1615659"	1081.555418	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Na"	22.989218
"329347"	1070.564447	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+H+Na"	23.996494
"720304"	1599.847547	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+H+Na"	23.996494
"1463189"	541.281347	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H+Na"	23.996494
"1064092"	361.18999	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2H+Na"	25.00377
"1271242"	1091.599686	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+CH3OH+H"	33.033486
"389820"	2156.095558	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+K"	38.963158
"748626"	3214.661758	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+K"	38.963158
"1551773"	1097.529358	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+K"	38.963158
"308947"	1078.551417	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+H+K"	39.970434
"701368"	1607.834517	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+H+K"	39.970434
"1457377"	549.268317	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H+K"	39.970434
"244885"	2159.166226	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+ACN+H"	42.033826
"1212125"	1100.600026	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+ACN+H"	42.033826
"1197104"	550.803651	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+ACN+2H"	43.041102
"192162"	2162.10356	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+2Na-H"	44.97116
"631724"	3220.66976	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+2Na-H"	44.97116
"1142885"	1103.53736	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2Na-H"	44.97116
"181807"	1081.555418	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+2Na"	45.978436
"619544"	1610.838518	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+2Na"	45.978436
"1127425"	552.272318	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2Na"	45.978436
"1410584"	368.517304	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H+2Na"	46.985712
"1443432"	1105.578946	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H+HCOOH"	47.012746
"234220"	1086.58844	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+3H2O+2H"	56.04448
"1516815"	1119.63099	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+IsoProp+H"	61.06479
"412855"	1089.542388	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+Na+K"	61.952376
"785035"	1618.825488	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+Na+K"	61.952376
"1675290"	560.259288	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Na+K"	61.952376
"258527"	2181.148168	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+ACN+Na"	64.015768
"1229410"	1122.581968	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+ACN+Na"	64.015768
"1716837"	1122.605493	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+NH4+HCOOH"	64.039293
"1184382"	375.844618	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+3Na"	68.967654
"1656458"	1127.560888	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Na+HCOOH"	68.994688
"166601"	2194.05144	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+2K-H"	76.91904
"599601"	3252.61764	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+2K-H"	76.91904
"1087391"	1135.48524	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2K-H"	76.91904
"145301"	1097.529358	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"2M+2K"	77.926316
"584133"	1626.812458	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"3M+2K"	77.926316
"1070468"	568.246258	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2K"	77.926316
"1102583"	1137.499792	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2K+H"	78.933592
"1342257"	1137.587407	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+DMSO+H"	79.021207
"1010782"	1141.626576	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2ACN+H"	83.060376
"1528917"	1142.620208	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+IsoProp+Na+H"	84.054008
"998649"	571.316926	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+2ACN+2H"	84.067652
"1598618"	1143.534828	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+K+HCOOH"	84.968628
"1425375"	1173.566338	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+H+CF3COOH"	115.000138
"1150194"	591.830201	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+3ACN+2H"	125.094202
"1710684"	1190.592885	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+NH4+CF3COOH"	132.026685
"1647427"	1195.54828	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+Na+CF3COOH"	136.98208
"1583077"	1211.52222	"C08956"	"Helianthoside A"	"C53H86O21"	"1058.5662"	"M+K+CF3COOH"	152.95602
"801396"	586.387	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M"	0
"976040"	567.36861	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-H2O-H"	-19.01839
"64283"	389.917390666667	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M-3H"	-3.021828
"509308"	585.379724	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M-3H"	-3.021828
"882737"	194.455057333333	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-3H"	-3.021828
"2405"	585.379724	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M-2H"	-2.014552
"444152"	878.573224	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M-2H"	-2.014552
"820132"	292.186224	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-2H"	-2.014552
"86324"	1171.766724	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M-H"	-1.007276
"521513"	1758.153724	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M-H"	-1.007276
"899314"	585.379724	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-H"	-1.007276
"50410"	1188.793271	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M-2H+NH4"	16.019271
"494344"	1775.180271	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M-2H+NH4"	16.019271
"865584"	602.406271	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-2H+NH4"	16.019271
"33484"	1193.748666	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M-2H+Na"	20.974666
"483978"	1780.135666	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M-2H+Na"	20.974666
"849755"	607.361666	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-2H+Na"	20.974666
"1623660"	607.361666	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Na-2H"	20.974666
"95818"	603.368063	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M-H+Cl"	33.962126
"534605"	896.561563	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M-H+Cl"	33.962126
"929985"	310.174563	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-H+Cl"	33.962126
"268052"	1207.743402	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+Cl"	34.969402
"660270"	1794.130402	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+Cl"	34.969402
"1273970"	621.356402	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Cl"	34.969402
"19208"	1209.722606	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M-2H+K"	36.948606
"456699"	1796.109606	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M-2H+K"	36.948606
"848125"	623.335606	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-2H+K"	36.948606
"1570891"	623.335606	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+K-2H"	36.948606
"958161"	631.385194	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-H+HCOOH"	44.998194
"376011"	1217.772201	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+HCOOH-H"	44.998201
"360621"	1231.787851	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+Hac-H"	59.013851
"1505803"	645.400851	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Hac-H"	59.013851
"971889"	653.367151	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-H+NaCOOH"	66.980151
"123714"	621.356402	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+2Cl"	69.938804
"564004"	914.549902	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+2Cl"	69.938804
"1033165"	328.162902	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2Cl"	69.938804
"1254933"	665.305885	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Br"	78.918885
"1319205"	667.361872	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Cl+HCOOH"	80.974872
"1334150"	689.343829	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Cl+NaCOOH"	102.956829
"925939"	699.372586	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M-H+CF3COOH"	112.985586
"1300821"	735.349264	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Cl+CF3COOH"	148.962264
"1380685"	551.374324	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H-2H2O"	-35.012676
"1395752"	569.3843	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H-H2O"	-17.0027
"293980"	1173.781276	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+H"	1.007276
"682026"	1760.168276	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+H"	1.007276
"1358376"	587.394276	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H"	1.007276
"133818"	587.394276	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+2H"	2.014552
"571921"	880.587776	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+2H"	2.014552
"1041815"	294.200776	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2H"	2.014552
"207530"	391.931942666667	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+3H"	3.021828
"652560"	587.394276	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+3H"	3.021828
"1173970"	196.469609333333	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+3H"	3.021828
"439190"	1190.807823	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+NH4"	18.033823
"797143"	1777.194823	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+NH4"	18.033823
"1694936"	604.420823	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+NH4"	18.033823
"343939"	595.9075495	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+H+NH4"	19.041099
"734176"	889.1010495	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+H+NH4"	19.041099
"1485809"	302.7140495	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H+NH4"	19.041099
"406674"	1195.763218	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+Na"	22.989218
"768764"	1782.150218	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+Na"	22.989218
"1613582"	609.376218	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Na"	22.989218
"325807"	598.385247	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+H+Na"	23.996494
"717134"	891.578747	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+H+Na"	23.996494
"1470954"	305.191747	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H+Na"	23.996494
"1055451"	203.796923333333	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2H+Na"	25.00377
"1264786"	619.420486	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+CH3OH+H"	33.033486
"385550"	1211.737158	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+K"	38.963158
"744359"	1798.124158	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+K"	38.963158
"1543858"	625.350158	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+K"	38.963158
"306870"	606.372217	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+H+K"	39.970434
"698196"	899.565717	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+H+K"	39.970434
"1457487"	313.178717	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H+K"	39.970434
"243902"	1214.807826	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+ACN+H"	42.033826
"1211142"	628.420826	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+ACN+H"	42.033826
"1195387"	314.714051	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+ACN+2H"	43.041102
"190448"	1217.74516	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+2Na-H"	44.97116
"631469"	1804.13216	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+2Na-H"	44.97116
"1142995"	631.35816	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2Na-H"	44.97116
"180819"	609.376218	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+2Na"	45.978436
"622934"	902.569718	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+2Na"	45.978436
"1126076"	316.182718	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2Na"	45.978436
"1409599"	211.124237333333	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H+2Na"	46.985712
"1443905"	633.399746	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H+HCOOH"	47.012746
"234691"	614.40924	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+3H2O+2H"	56.04448
"1516196"	647.45179	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+IsoProp+H"	61.06479
"411872"	617.363188	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+Na+K"	61.952376
"782351"	910.556688	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+Na+K"	61.952376
"1675400"	324.169688	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Na+K"	61.952376
"258637"	1236.789768	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+ACN+Na"	64.015768
"1228792"	650.402768	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+ACN+Na"	64.015768
"1716583"	650.426293	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+NH4+HCOOH"	64.039293
"1186313"	218.451551333333	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+3Na"	68.967654
"1655838"	655.381688	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Na+HCOOH"	68.994688
"163431"	1249.69304	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+2K-H"	76.91904
"599711"	1836.08004	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+2K-H"	76.91904
"1086408"	663.30604	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2K-H"	76.91904
"143954"	625.350158	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"2M+2K"	77.926316
"584972"	918.543658	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"3M+2K"	77.926316
"1071307"	332.156658	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2K"	77.926316
"1101965"	665.320592	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2K+H"	78.933592
"1339087"	665.408207	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+DMSO+H"	79.021207
"1010892"	669.447376	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2ACN+H"	83.060376
"1535592"	670.441008	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+IsoProp+Na+H"	84.054008
"998757"	335.227326	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+2ACN+2H"	84.067652
"1596540"	671.355628	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+K+HCOOH"	84.968628
"1420016"	701.387138	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+H+CF3COOH"	115.000138
"1152489"	355.740601	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+3ACN+2H"	125.094202
"1710794"	718.413685	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+NH4+CF3COOH"	132.026685
"1647537"	723.36908	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+Na+CF3COOH"	136.98208
"1576626"	739.34302	"C08957"	"Ilexolide A"	"C35H54O7"	"586.387"	"M+K+CF3COOH"	152.95602
"810273"	942.5188	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M"	0
"976150"	923.50041	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-H2O-H"	-19.01839
"64393"	627.338590666667	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M-3H"	-3.021828
"507233"	941.511524	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M-3H"	-3.021828
"883940"	313.165657333333	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-3H"	-3.021828
"4701"	941.511524	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M-2H"	-2.014552
"445355"	1412.770924	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M-2H"	-2.014552
"822063"	470.252124	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-2H"	-2.014552
"79874"	1884.030324	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M-H"	-1.007276
"520530"	2826.549124	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M-H"	-1.007276
"899424"	941.511524	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-H"	-1.007276
"50520"	1901.056871	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M-2H+NH4"	16.019271
"494454"	2843.575671	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M-2H+NH4"	16.019271
"865694"	958.538071	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-2H+NH4"	16.019271
"34687"	1906.012266	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M-2H+Na"	20.974666
"483724"	2848.531066	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M-2H+Na"	20.974666
"849865"	963.493466	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-2H+Na"	20.974666
"1623770"	963.493466	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Na-2H"	20.974666
"98115"	959.499863	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M-H+Cl"	33.962126
"535488"	1430.759263	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M-H+Cl"	33.962126
"933375"	488.240463	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-H+Cl"	33.962126
"271932"	1920.007002	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+Cl"	34.969402
"660136"	2862.525802	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+Cl"	34.969402
"1273108"	977.488202	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Cl"	34.969402
"17131"	1921.986206	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M-2H+K"	36.948606
"456808"	2864.505006	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M-2H+K"	36.948606
"848216"	979.467406	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-2H+K"	36.948606
"1569653"	979.467406	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+K-2H"	36.948606
"957661"	987.516994	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-H+HCOOH"	44.998194
"375021"	1930.035801	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+HCOOH-H"	44.998201
"358539"	1944.051451	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+Hac-H"	59.013851
"1503360"	1001.532651	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Hac-H"	59.013851
"970903"	1009.498951	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-H+NaCOOH"	66.980151
"123093"	977.488202	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+2Cl"	69.938804
"564110"	1448.747602	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+2Cl"	69.938804
"1035102"	506.228802	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2Cl"	69.938804
"1255408"	1021.437685	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Br"	78.918885
"1319315"	1023.493672	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Cl+HCOOH"	80.974872
"1333165"	1045.475629	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Cl+NaCOOH"	102.956829
"924587"	1055.504386	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M-H+CF3COOH"	112.985586
"1302023"	1091.481064	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Cl+CF3COOH"	148.962264
"1380187"	907.506124	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H-2H2O"	-35.012676
"1394769"	925.5161	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H-H2O"	-17.0027
"293724"	1886.044876	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+H"	1.007276
"681044"	2828.563676	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+H"	1.007276
"1357393"	943.526076	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H"	1.007276
"133202"	943.526076	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+2H"	2.014552
"575313"	1414.785476	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+2H"	2.014552
"1044841"	472.266676	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2H"	2.014552
"209828"	629.353142666667	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+3H"	3.021828
"650482"	943.526076	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+3H"	3.021828
"1167516"	315.180209333333	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+3H"	3.021828
"436259"	1903.071423	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+NH4"	18.033823
"791785"	2845.590223	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+NH4"	18.033823
"1692494"	960.552623	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+NH4"	18.033823
"340769"	952.0393495	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+H+NH4"	19.041099
"733193"	1423.2987495	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+H+NH4"	19.041099
"1482638"	480.7799495	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H+NH4"	19.041099
"402410"	1908.026818	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+Na"	22.989218
"763406"	2850.545618	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+Na"	22.989218
"1610410"	965.508018	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Na"	22.989218
"319355"	954.517047	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+H+Na"	23.996494
"711777"	1425.776447	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+H+Na"	23.996494
"1464866"	483.257647	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H+Na"	23.996494
"1055924"	322.507523333333	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2H+Na"	25.00377
"1259795"	975.552286	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+CH3OH+H"	33.033486
"383474"	1924.000758	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+K"	38.963158
"743376"	2866.519558	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+K"	38.963158
"1544335"	981.481958	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+K"	38.963158
"305886"	962.504017	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+H+K"	39.970434
"693933"	1433.763417	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+H+K"	39.970434
"1457597"	491.244617	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H+K"	39.970434
"242918"	1927.071426	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+ACN+H"	42.033826
"1210888"	984.552626	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+ACN+H"	42.033826
"1195010"	492.779951	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+ACN+2H"	43.041102
"190194"	1930.00876	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+2Na-H"	44.97116
"629870"	2872.52756	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+2Na-H"	44.97116
"1137638"	987.48996	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2Na-H"	44.97116
"179835"	965.508018	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+2Na"	45.978436
"621950"	1436.767418	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+2Na"	45.978436
"1125821"	494.248618	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2Na"	45.978436
"1406793"	329.834837333333	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H+2Na"	46.985712
"1436722"	989.531546	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H+HCOOH"	47.012746
"230062"	970.54104	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+3H2O+2H"	56.04448
"1516304"	1003.58359	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+IsoProp+H"	61.06479
"412345"	973.494988	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+Na+K"	61.952376
"783553"	1444.754388	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+Na+K"	61.952376
"1673321"	502.235588	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Na+K"	61.952376
"257653"	1949.053368	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+ACN+Na"	64.015768
"1227079"	1006.534568	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+ACN+Na"	64.015768
"1713287"	1006.558093	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+NH4+HCOOH"	64.039293
"1182411"	337.162151333333	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+3Na"	68.967654
"1651574"	1011.513488	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Na+HCOOH"	68.994688
"163173"	1961.95664	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+2K-H"	76.91904
"601276"	2904.47544	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+2K-H"	76.91904
"1087246"	1019.43784	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2K-H"	76.91904
"144428"	981.481958	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"2M+2K"	77.926316
"581795"	1452.741358	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"3M+2K"	77.926316
"1068662"	510.222558	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2K"	77.926316
"1100977"	1021.452392	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2K+H"	78.933592
"1339197"	1021.540007	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+DMSO+H"	79.021207
"1009909"	1025.579176	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2ACN+H"	83.060376
"1536796"	1026.572808	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+IsoProp+Na+H"	84.054008
"998869"	513.293226	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+2ACN+2H"	84.067652
"1598838"	1027.487428	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+K+HCOOH"	84.968628
"1422313"	1057.518938	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+H+CF3COOH"	115.000138
"1153693"	533.806501	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+3ACN+2H"	125.094202
"1710904"	1074.545485	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+NH4+CF3COOH"	132.026685
"1646554"	1079.50088	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+Na+CF3COOH"	136.98208
"1583297"	1095.47482	"C08958"	"Lemmatoxin"	"C48H78O18"	"942.5188"	"M+K+CF3COOH"	152.95602
"810383"	988.4879	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M"	0
"980635"	969.46951	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-H2O-H"	-19.01839
"66689"	657.984657333333	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M-3H"	-3.021828
"508436"	987.480624	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M-3H"	-3.021828
"884051"	328.488690666667	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-3H"	-3.021828
"1534"	987.480624	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M-2H"	-2.014552
"446560"	1481.724574	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M-2H"	-2.014552
"823270"	493.236674	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-2H"	-2.014552
"78678"	1975.968524	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M-H"	-1.007276
"518813"	2964.456424	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M-H"	-1.007276
"898442"	987.480624	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-H"	-1.007276
"47713"	1992.995071	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M-2H+NH4"	16.019271
"496389"	2981.482971	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M-2H+NH4"	16.019271
"869085"	1004.507171	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-2H+NH4"	16.019271
"40267"	1997.950466	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M-2H+Na"	20.974666
"478735"	2986.438366	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M-2H+Na"	20.974666
"848518"	1009.462566	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-2H+Na"	20.974666
"1622787"	1009.462566	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Na-2H"	20.974666
"94469"	1005.468963	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M-H+Cl"	33.962126
"534584"	1499.712913	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M-H+Cl"	33.962126
"927137"	511.225013	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-H+Cl"	33.962126
"268761"	2011.945202	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+Cl"	34.969402
"660574"	3000.433102	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+Cl"	34.969402
"1273706"	1023.457302	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Cl"	34.969402
"19428"	2013.924406	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M-2H+K"	36.948606
"457893"	3002.412306	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M-2H+K"	36.948606
"842259"	1025.436506	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-2H+K"	36.948606
"1570127"	1025.436506	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+K-2H"	36.948606
"955822"	1033.486094	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-H+HCOOH"	44.998194
"375860"	2021.974001	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+HCOOH-H"	44.998201
"359745"	2035.989651	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+Hac-H"	59.013851
"1504566"	1047.501751	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Hac-H"	59.013851
"971015"	1055.468051	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-H+NaCOOH"	66.980151
"125036"	1023.457302	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+2Cl"	69.938804
"563497"	1517.701252	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+2Cl"	69.938804
"1032659"	529.213352	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2Cl"	69.938804
"1255519"	1067.406785	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Br"	78.918885
"1313592"	1069.462772	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Cl+HCOOH"	80.974872
"1334735"	1091.444729	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Cl+NaCOOH"	102.956829
"925427"	1101.473486	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M-H+CF3COOH"	112.985586
"1303838"	1137.450164	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Cl+CF3COOH"	148.962264
"1380297"	953.475224	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H-2H2O"	-35.012676
"1395973"	971.4852	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H-H2O"	-17.0027
"292742"	1977.983076	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+H"	1.007276
"686618"	2966.470976	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+H"	1.007276
"1357502"	989.495176	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H"	1.007276
"133675"	989.495176	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+2H"	2.014552
"572142"	1483.739126	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+2H"	2.014552
"1046045"	495.251226	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2H"	2.014552
"215044"	659.999209333333	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+3H"	3.021828
"651687"	989.495176	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+3H"	3.021828
"1172003"	330.503242666667	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+3H"	3.021828
"436369"	1995.009623	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+NH4"	18.033823
"798459"	2983.497523	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+NH4"	18.033823
"1692604"	1006.521723	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+NH4"	18.033823
"340879"	998.0084495	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+H+NH4"	19.041099
"734398"	1492.2523995	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+H+NH4"	19.041099
"1486028"	503.7644995	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H+NH4"	19.041099
"405801"	1999.965018	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+Na"	22.989218
"763517"	2988.452918	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+Na"	22.989218
"1609428"	1011.477118	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Na"	22.989218
"322747"	1000.486147	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+H+Na"	23.996494
"710430"	1494.730097	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+H+Na"	23.996494
"1466803"	506.242197	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H+Na"	23.996494
"1056765"	337.830556666667	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2H+Na"	25.00377
"1259904"	1021.521386	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+CH3OH+H"	33.033486
"383584"	2015.938958	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+K"	38.963158
"745673"	3004.426858	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+K"	38.963158
"1544445"	1027.451058	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+K"	38.963158
"304903"	1008.473117	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+H+K"	39.970434
"696230"	1502.717067	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+H+K"	39.970434
"1454427"	514.229167	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H+K"	39.970434
"239748"	2019.009626	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+ACN+H"	42.033826
"1211363"	1030.521726	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+ACN+H"	42.033826
"1195243"	515.764501	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+ACN+2H"	43.041102
"189212"	2021.94696	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+2Na-H"	44.97116
"632054"	3010.43486	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+2Na-H"	44.97116
"1134468"	1033.45906	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2Na-H"	44.97116
"179945"	1011.477118	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+2Na"	45.978436
"619507"	1505.721068	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+2Na"	45.978436
"1128119"	517.233168	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2Na"	45.978436
"1409819"	345.157870666667	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H+2Na"	46.985712
"1440478"	1035.500646	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H+HCOOH"	47.012746
"231267"	1016.51014	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+3H2O+2H"	56.04448
"1521886"	1049.55269	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+IsoProp+H"	61.06479
"418291"	1019.464088	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+Na+K"	61.952376
"781476"	1513.708038	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+Na+K"	61.952376
"1676712"	525.220138	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Na+K"	61.952376
"259951"	2040.991568	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+ACN+Na"	64.015768
"1231564"	1052.503668	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+ACN+Na"	64.015768
"1715709"	1052.527193	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+NH4+HCOOH"	64.039293
"1183615"	352.485184666667	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+3Na"	68.967654
"1652777"	1057.482588	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Na+HCOOH"	68.994688
"162919"	2053.89484	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+2K-H"	76.91904
"605396"	3042.38274	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+2K-H"	76.91904
"1090272"	1065.40694	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2K-H"	76.91904
"147820"	1027.451058	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"2M+2K"	77.926316
"582640"	1521.695008	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"3M+2K"	77.926316
"1069340"	533.207108	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2K"	77.926316
"1100728"	1067.421492	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2K+H"	78.933592
"1340400"	1067.509107	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+DMSO+H"	79.021207
"1011112"	1071.548276	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2ACN+H"	83.060376
"1538363"	1072.541908	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+IsoProp+Na+H"	84.054008
"997881"	536.277776	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+2ACN+2H"	84.067652
"1600774"	1073.456528	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+K+HCOOH"	84.968628
"1427891"	1103.488038	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+H+CF3COOH"	115.000138
"1160365"	556.791051	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+3ACN+2H"	125.094202
"1709917"	1120.514585	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+NH4+CF3COOH"	132.026685
"1644475"	1125.46998	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+Na+CF3COOH"	136.98208
"1573565"	1141.44392	"C08959"	"Medicagenic acid 3-O-triglucoside"	"C48H76O21"	"988.4879"	"M+K+CF3COOH"	152.95602
"807213"	1030.5349	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M"	0
"975030"	1011.51651	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-H2O-H"	-19.01839
"64123"	686.015990666667	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M-3H"	-3.021828
"511826"	1029.527624	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M-3H"	-3.021828
"881366"	342.504357333333	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-3H"	-3.021828
"3831"	1029.527624	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M-2H"	-2.014552
"445577"	1544.795074	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M-2H"	-2.014552
"823380"	514.260174	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-2H"	-2.014552
"79157"	2060.062524	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M-H"	-1.007276
"518721"	3090.597424	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M-H"	-1.007276
"898552"	1029.527624	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-H"	-1.007276
"48065"	2077.089071	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M-2H+NH4"	16.019271
"497592"	3107.623971	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M-2H+NH4"	16.019271
"869195"	1046.554171	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-2H+NH4"	16.019271
"40377"	2082.044466	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M-2H+Na"	20.974666
"479938"	3112.579366	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M-2H+Na"	20.974666
"849113"	1051.509566	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-2H+Na"	20.974666
"1626177"	1051.509566	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Na-2H"	20.974666
"96148"	1047.515963	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M-H+Cl"	33.962126
"537164"	1562.783413	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M-H+Cl"	33.962126
"927518"	532.248513	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-H+Cl"	33.962126
"269964"	2096.039202	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+Cl"	34.969402
"660684"	3126.574102	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+Cl"	34.969402
"1273693"	1065.504302	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Cl"	34.969402
"20631"	2098.018406	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M-2H+K"	36.948606
"460190"	3128.553306	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M-2H+K"	36.948606
"842369"	1067.483506	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-2H+K"	36.948606
"1570116"	1067.483506	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+K-2H"	36.948606
"955204"	1075.533094	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-H+HCOOH"	44.998194
"375612"	2106.068001	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+HCOOH-H"	44.998201
"358031"	2120.083651	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+Hac-H"	59.013851
"1503947"	1089.548751	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Hac-H"	59.013851
"971489"	1097.515051	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-H+NaCOOH"	66.980151
"124295"	1065.504302	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+2Cl"	69.938804
"564706"	1580.771752	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+2Cl"	69.938804
"1033135"	550.236852	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2Cl"	69.938804
"1255262"	1109.453785	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Br"	78.918885
"1317711"	1111.509772	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Cl+HCOOH"	80.974872
"1329010"	1133.491729	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Cl+NaCOOH"	102.956829
"922985"	1143.520486	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M-H+CF3COOH"	112.985586
"1301153"	1179.497164	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Cl+CF3COOH"	148.962264
"1378220"	995.522224	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H-2H2O"	-35.012676
"1396447"	1013.5322	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H-H2O"	-17.0027
"291028"	2062.077076	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+H"	1.007276
"685635"	3092.611976	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+H"	1.007276
"1356518"	1031.542176	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H"	1.007276
"134878"	1031.542176	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+2H"	2.014552
"571158"	1546.809626	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+2H"	2.014552
"1043237"	516.274726	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2H"	2.014552
"216247"	688.030542666667	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+3H"	3.021828
"652890"	1031.542176	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+3H"	3.021828
"1171020"	344.518909333333	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+3H"	3.021828
"436479"	2079.103623	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+NH4"	18.033823
"798205"	3109.638523	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+NH4"	18.033823
"1692714"	1048.568723	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+NH4"	18.033823
"338802"	1040.0554495	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+H+NH4"	19.041099
"734506"	1555.3228995	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+H+NH4"	19.041099
"1482858"	524.7879995	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H+NH4"	19.041099
"405911"	2084.059018	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+Na"	22.989218
"761440"	3114.593918	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+Na"	22.989218
"1613911"	1053.524118	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Na"	22.989218
"326136"	1042.533147	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+H+Na"	23.996494
"712362"	1557.800597	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+H+Na"	23.996494
"1468006"	527.265697	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H+Na"	23.996494
"1060154"	351.846223333333	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2H+Na"	25.00377
"1260742"	1063.568386	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+CH3OH+H"	33.033486
"383694"	2100.032958	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+K"	38.963158
"745783"	3130.567858	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+K"	38.963158
"1545648"	1069.498058	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+K"	38.963158
"305013"	1050.520117	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+H+K"	39.970434
"697433"	1565.787567	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+H+K"	39.970434
"1451257"	535.252667	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H+K"	39.970434
"238399"	2103.103626	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+ACN+H"	42.033826
"1211467"	1072.568726	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+ACN+H"	42.033826
"1196080"	536.788001	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+ACN+2H"	43.041102
"189678"	2106.04096	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+2Na-H"	44.97116
"632164"	3136.57586	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+2Na-H"	44.97116
"1137858"	1075.50606	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2Na-H"	44.97116
"183335"	1053.524118	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+2Na"	45.978436
"619617"	1568.791568	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+2Na"	45.978436
"1124218"	538.256668	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2Na"	45.978436
"1404826"	359.173537333333	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H+2Na"	46.985712
"1438764"	1077.547646	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H+HCOOH"	47.012746
"225178"	1058.55714	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+3H2O+2H"	56.04448
"1521511"	1091.59969	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+IsoProp+H"	61.06479
"419494"	1061.511088	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+Na+K"	61.952376
"782679"	1576.778538	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+Na+K"	61.952376
"1679008"	546.243638	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Na+K"	61.952376
"258968"	2125.085568	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+ACN+Na"	64.015768
"1231674"	1094.550668	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+ACN+Na"	64.015768
"1716185"	1094.574193	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+NH4+HCOOH"	64.039293
"1181538"	366.500851333333	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+3Na"	68.967654
"1650700"	1099.529588	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Na+HCOOH"	68.994688
"158657"	2137.98884	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+2K-H"	76.91904
"603320"	3168.52374	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+2K-H"	76.91904
"1085645"	1107.45394	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2K-H"	76.91904
"142827"	1069.498058	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"2M+2K"	77.926316
"582746"	1584.765508	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"3M+2K"	77.926316
"1070543"	554.230608	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2K"	77.926316
"1101931"	1109.468492	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2K+H"	78.933592
"1341602"	1109.556107	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+DMSO+H"	79.021207
"1011222"	1113.595276	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2ACN+H"	83.060376
"1535557"	1114.588908	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+IsoProp+Na+H"	84.054008
"995804"	557.301276	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+2ACN+2H"	84.067652
"1600155"	1115.503528	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+K+HCOOH"	84.968628
"1427273"	1145.535038	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+H+CF3COOH"	115.000138
"1157196"	577.814551	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+3ACN+2H"	125.094202
"1708934"	1162.561585	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+NH4+CF3COOH"	132.026685
"1644585"	1167.51698	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+Na+CF3COOH"	136.98208
"1573675"	1183.49092	"C08960"	"Musennin"	"C51H82O21"	"1030.5349"	"M+K+CF3COOH"	152.95602
"810607"	932.5345	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M"	0
"984137"	913.51611	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-H2O-H"	-19.01839
"70193"	620.682390666667	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M-3H"	-3.021828
"507567"	931.527224	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M-3H"	-3.021828
"888648"	309.837557333333	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-3H"	-3.021828
"9410"	931.527224	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M-2H"	-2.014552
"443505"	1397.794474	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M-2H"	-2.014552
"821306"	465.259974	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-2H"	-2.014552
"83486"	1864.061724	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M-H"	-1.007276
"530340"	2796.596224	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M-H"	-1.007276
"905226"	931.527224	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-H"	-1.007276
"55229"	1881.088271	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M-2H+NH4"	16.019271
"496976"	2813.622771	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M-2H+NH4"	16.019271
"873683"	948.553771	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-2H+NH4"	16.019271
"41584"	1886.043666	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M-2H+Na"	20.974666
"481144"	2818.578166	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M-2H+Na"	20.974666
"857852"	953.509166	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-2H+Na"	20.974666
"1627384"	953.509166	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Na-2H"	20.974666
"97353"	949.515563	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M-H+Cl"	33.962126
"535208"	1415.782813	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M-H+Cl"	33.962126
"929332"	483.248313	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-H+Cl"	33.962126
"270439"	1900.038402	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+Cl"	34.969402
"664682"	2832.572902	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+Cl"	34.969402
"1282560"	967.503902	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Cl"	34.969402
"25484"	1902.017606	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M-2H+K"	36.948606
"469783"	2834.552106	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M-2H+K"	36.948606
"847223"	969.483106	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-2H+K"	36.948606
"1570595"	969.483106	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+K-2H"	36.948606
"956049"	977.532694	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-H+HCOOH"	44.998194
"376456"	1910.067201	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+HCOOH-H"	44.998201
"359973"	1924.082851	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+Hac-H"	59.013851
"1507593"	991.548351	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Hac-H"	59.013851
"973796"	999.514651	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-H+NaCOOH"	66.980151
"123796"	967.503902	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+2Cl"	69.938804
"562265"	1433.771152	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+2Cl"	69.938804
"1030699"	501.236652	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2Cl"	69.938804
"1252093"	1011.453385	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Br"	78.918885
"1317824"	1013.509372	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Cl+HCOOH"	80.974872
"1333499"	1035.491329	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Cl+NaCOOH"	102.956829
"926380"	1045.520086	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M-H+CF3COOH"	112.985586
"1303739"	1081.496764	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Cl+CF3COOH"	148.962264
"1382733"	897.521824	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H-2H2O"	-35.012676
"1398445"	915.5318	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H-H2O"	-17.0027
"292235"	1866.076276	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+H"	1.007276
"682468"	2798.610776	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+H"	1.007276
"1363558"	933.541776	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H"	1.007276
"138271"	933.541776	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+2H"	2.014552
"575644"	1399.809026	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+2H"	2.014552
"1046630"	467.274526	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2H"	2.014552
"209065"	622.696942666667	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+3H"	3.021828
"648624"	933.541776	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+3H"	3.021828
"1165657"	311.852109333333	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+3H"	3.021828
"435861"	1883.102823	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+NH4"	18.033823
"792115"	2815.637323	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+NH4"	18.033823
"1693917"	950.568323	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+NH4"	18.033823
"341099"	942.0550495	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+H+NH4"	19.041099
"734616"	1408.3222995	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+H+NH4"	19.041099
"1491716"	475.7877995	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H+NH4"	19.041099
"407845"	1888.058218	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+Na"	22.989218
"764831"	2820.592718	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+Na"	22.989218
"1614021"	955.523718	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Na"	22.989218
"322965"	944.532747	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+H+Na"	23.996494
"717575"	1410.799997	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+H+Na"	23.996494
"1471397"	478.265497	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H+Na"	23.996494
"1062456"	319.179423333333	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2H+Na"	25.00377
"1264132"	965.567986	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+CH3OH+H"	33.033486
"381616"	1904.032158	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+K"	38.963158
"745893"	2836.566658	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+K"	38.963158
"1544666"	971.497658	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+K"	38.963158
"308403"	952.519717	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+H+K"	39.970434
"699732"	1418.786967	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+H+K"	39.970434
"1456834"	486.252467	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H+K"	39.970434
"245436"	1907.102826	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+ACN+H"	42.033826
"1211583"	974.568326	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+ACN+H"	42.033826
"1195467"	487.787801	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+ACN+2H"	43.041102
"193808"	1910.04016	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+2Na-H"	44.97116
"636651"	2842.57466	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+2Na-H"	44.97116
"1140158"	977.50566	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2Na-H"	44.97116
"184543"	955.523718	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+2Na"	45.978436
"624834"	1421.790968	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+2Na"	45.978436
"1126884"	489.256468	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2Na"	45.978436
"1407854"	326.506737333333	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H+2Na"	46.985712
"1434503"	979.547246	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H+HCOOH"	47.012746
"230759"	960.55674	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+3H2O+2H"	56.04448
"1519909"	993.59929	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+IsoProp+H"	61.06479
"418147"	963.510688	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+Na+K"	61.952376
"780606"	1429.777938	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+Na+K"	61.952376
"1675842"	497.243438	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Na+K"	61.952376
"263453"	1929.084768	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+ACN+Na"	64.015768
"1231786"	996.550268	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+ACN+Na"	64.015768
"1713134"	996.573793	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+NH4+HCOOH"	64.039293
"1182745"	333.834051333333	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+3Na"	68.967654
"1654826"	1001.529188	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Na+HCOOH"	68.994688
"160591"	1941.98804	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+2K-H"	76.91904
"598329"	2874.52254	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+2K-H"	76.91904
"1087213"	1009.45354	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2K-H"	76.91904
"143666"	971.497658	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"2M+2K"	77.926316
"583227"	1437.764908	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"3M+2K"	77.926316
"1070650"	505.230408	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2K"	77.926316
"1102408"	1011.468092	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2K+H"	78.933592
"1339527"	1011.555707	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+DMSO+H"	79.021207
"1008053"	1015.594876	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2ACN+H"	83.060376
"1527276"	1016.588508	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+IsoProp+Na+H"	84.054008
"991293"	508.301076	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+2ACN+2H"	84.067652
"1592607"	1017.503128	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+K+HCOOH"	84.968628
"1423736"	1047.534638	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+H+CF3COOH"	115.000138
"1157305"	528.814351	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+3ACN+2H"	125.094202
"1710141"	1064.561185	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+NH4+CF3COOH"	132.026685
"1647613"	1069.51658	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+Na+CF3COOH"	136.98208
"1583627"	1085.49052	"C08961"	"Notoginsenoside R1"	"C47H80O18"	"932.5345"	"M+K+CF3COOH"	152.95602
"804152"	940.5032	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M"	0
"980967"	921.48481	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-H2O-H"	-19.01839
"68114"	625.994857333333	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M-3H"	-3.021828
"508769"	939.495924	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M-3H"	-3.021828
"884383"	312.493790666667	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-3H"	-3.021828
"9519"	939.495924	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M-2H"	-2.014552
"446894"	1409.747524	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M-2H"	-2.014552
"825789"	469.244324	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-2H"	-2.014552
"89792"	1879.999124	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M-H"	-1.007276
"529357"	2820.502324	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M-H"	-1.007276
"905336"	939.495924	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-H"	-1.007276
"56432"	1897.025671	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M-2H+NH4"	16.019271
"497085"	2837.528871	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M-2H+NH4"	16.019271
"875253"	956.522471	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-2H+NH4"	16.019271
"44613"	1901.981066	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M-2H+Na"	20.974666
"484171"	2842.484266	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M-2H+Na"	20.974666
"861241"	961.477866	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-2H+Na"	20.974666
"1629680"	961.477866	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Na-2H"	20.974666
"102929"	957.484263	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M-H+Cl"	33.962126
"538114"	1427.735863	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M-H+Cl"	33.962126
"931630"	487.232663	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-H+Cl"	33.962126
"272373"	1915.975802	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+Cl"	34.969402
"661757"	2856.479002	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+Cl"	34.969402
"1280484"	975.472602	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Cl"	34.969402
"26322"	1917.955006	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M-2H+K"	36.948606
"468800"	2858.458206	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M-2H+K"	36.948606
"848451"	977.451806	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-2H+K"	36.948606
"1568275"	977.451806	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+K-2H"	36.948606
"956158"	985.501394	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-H+HCOOH"	44.998194
"376077"	1926.004601	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+HCOOH-H"	44.998201
"358262"	1940.020251	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+Hac-H"	59.013851
"1506607"	999.517051	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Hac-H"	59.013851
"972446"	1007.483351	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-H+NaCOOH"	66.980151
"120262"	975.472602	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+2Cl"	69.938804
"562735"	1445.724202	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+2Cl"	69.938804
"1030807"	505.221002	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2Cl"	69.938804
"1251109"	1019.422085	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Br"	78.918885
"1313922"	1021.478072	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Cl+HCOOH"	80.974872
"1332148"	1043.460029	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Cl+NaCOOH"	102.956829
"923570"	1053.488786	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M-H+CF3COOH"	112.985586
"1300278"	1089.465464	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Cl+CF3COOH"	148.962264
"1381601"	905.490524	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H-2H2O"	-35.012676
"1394114"	923.5005	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H-H2O"	-17.0027
"293801"	1882.013676	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+H"	1.007276
"682576"	2822.516876	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+H"	1.007276
"1360020"	941.510476	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H"	1.007276
"136922"	941.510476	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+2H"	2.014552
"577939"	1411.762076	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+2H"	2.014552
"1050750"	471.258876	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2H"	2.014552
"205646"	628.009409333333	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+3H"	3.021828
"647639"	941.510476	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+3H"	3.021828
"1169044"	314.508342666667	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+3H"	3.021828
"436697"	1899.040223	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+NH4"	18.033823
"793318"	2839.543423	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+NH4"	18.033823
"1694027"	958.537023	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+NH4"	18.033823
"341209"	950.0237495	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+H+NH4"	19.041099
"734724"	1420.2753495	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+H+NH4"	19.041099
"1486358"	479.7721495	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H+NH4"	19.041099
"405039"	1903.995618	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+Na"	22.989218
"759473"	2844.498818	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+Na"	22.989218
"1617410"	963.492418	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Na"	22.989218
"329274"	952.501447	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+H+Na"	23.996494
"718778"	1422.753047	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+H+Na"	23.996494
"1474785"	482.249847	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H+Na"	23.996494
"1066940"	321.835656666667	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2H+Na"	25.00377
"1266428"	973.536686	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+CH3OH+H"	33.033486
"386099"	1919.969558	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+K"	38.963158
"749283"	2860.472758	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+K"	38.963158
"1550241"	979.466358	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+K"	38.963158
"305233"	960.488417	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+H+K"	39.970434
"699841"	1430.740017	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+H+K"	39.970434
"1456944"	490.236817	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H+K"	39.970434
"246640"	1923.040226	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+ACN+H"	42.033826
"1214973"	982.537026	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+ACN+H"	42.033826
"1196670"	491.772151	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+ACN+2H"	43.041102
"193918"	1925.97756	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+2Na-H"	44.97116
"640042"	2866.48076	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+2Na-H"	44.97116
"1140269"	985.47436	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2Na-H"	44.97116
"186842"	963.492418	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+2Na"	45.978436
"625674"	1433.744018	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+2Na"	45.978436
"1127724"	493.240818	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2Na"	45.978436
"1411247"	329.162970666667	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H+2Na"	46.985712
"1440081"	987.515946	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H+HCOOH"	47.012746
"233785"	968.52544	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+3H2O+2H"	56.04448
"1516740"	1001.56799	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+IsoProp+H"	61.06479
"420080"	971.479388	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+Na+K"	61.952376
"780716"	1441.730988	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+Na+K"	61.952376
"1674859"	501.227788	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Na+K"	61.952376
"264292"	1945.022168	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+ACN+Na"	64.015768
"1231896"	1004.518968	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+ACN+Na"	64.015768
"1713488"	1004.542493	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+NH4+HCOOH"	64.039293
"1181762"	336.490284666667	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+3Na"	68.967654
"1652749"	1009.497888	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Na+HCOOH"	68.994688
"161795"	1957.92544	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+2K-H"	76.91904
"598316"	2898.42864	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+2K-H"	76.91904
"1092427"	1017.42224	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2K-H"	76.91904
"147056"	979.466358	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"2M+2K"	77.926316
"584792"	1449.717958	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"3M+2K"	77.926316
"1073312"	509.214758	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2K"	77.926316
"1104704"	1019.436792	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2K+H"	78.933592
"1339633"	1019.524407	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+DMSO+H"	79.021207
"1011442"	1023.563576	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2ACN+H"	83.060376
"1527386"	1024.557208	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+IsoProp+Na+H"	84.054008
"992741"	512.285426	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+2ACN+2H"	84.067652
"1590529"	1025.471828	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+K+HCOOH"	84.968628
"1426033"	1055.503338	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+H+CF3COOH"	115.000138
"1157414"	532.798701	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+3ACN+2H"	125.094202
"1709157"	1072.529885	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+NH4+CF3COOH"	132.026685
"1647723"	1077.48528	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+Na+CF3COOH"	136.98208
"1580457"	1093.45922	"C08962"	"Olaxoside"	"C48H76O18"	"940.5032"	"M+K+CF3COOH"	152.95602
"802803"	942.5188	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M"	0
"984357"	923.50041	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-H2O-H"	-19.01839
"71505"	627.338590666667	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M-3H"	-3.021828
"506692"	941.511524	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M-3H"	-3.021828
"887774"	313.165657333333	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-3H"	-3.021828
"5255"	941.511524	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M-2H"	-2.014552
"444816"	1412.770924	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M-2H"	-2.014552
"826992"	470.252124	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-2H"	-2.014552
"80548"	1884.030324	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M-H"	-1.007276
"529467"	2826.549124	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M-H"	-1.007276
"905446"	941.511524	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-H"	-1.007276
"57636"	1901.056871	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M-2H+NH4"	16.019271
"497195"	2843.575671	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M-2H+NH4"	16.019271
"876456"	958.538071	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-2H+NH4"	16.019271
"45087"	1906.012266	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M-2H+Na"	20.974666
"482457"	2848.531066	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M-2H+Na"	20.974666
"855885"	963.493466	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-2H+Na"	20.974666
"1627605"	963.493466	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Na-2H"	20.974666
"98665"	959.499863	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M-H+Cl"	33.962126
"536037"	1430.759263	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M-H+Cl"	33.962126
"931740"	488.240463	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-H+Cl"	33.962126
"272486"	1920.007002	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+Cl"	34.969402
"661989"	2862.525802	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+Cl"	34.969402
"1281687"	977.488202	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Cl"	34.969402
"28987"	1921.986206	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M-2H+K"	36.948606
"471226"	2864.505006	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M-2H+K"	36.948606
"847085"	979.467406	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-2H+K"	36.948606
"1569114"	979.467406	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+K-2H"	36.948606
"957003"	987.516994	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-H+HCOOH"	44.998194
"375944"	1930.035801	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+HCOOH-H"	44.998201
"358009"	1944.051451	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+Hac-H"	59.013851
"1506110"	1001.532651	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Hac-H"	59.013851
"971466"	1009.498951	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-H+NaCOOH"	66.980151
"121101"	977.488202	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+2Cl"	69.938804
"563576"	1448.747602	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+2Cl"	69.938804
"1030916"	506.228802	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2Cl"	69.938804
"1252678"	1021.437685	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Br"	78.918885
"1311844"	1023.493672	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Cl+HCOOH"	80.974872
"1331528"	1045.475629	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Cl+NaCOOH"	102.956829
"921493"	1055.504386	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M-H+CF3COOH"	112.985586
"1298201"	1091.481064	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Cl+CF3COOH"	148.962264
"1380738"	907.506124	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H-2H2O"	-35.012676
"1394224"	925.5161	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H-H2O"	-17.0027
"293547"	1886.044876	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+H"	1.007276
"681594"	2828.563676	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+H"	1.007276
"1364142"	943.526076	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H"	1.007276
"134117"	943.526076	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+2H"	2.014552
"578049"	1414.785476	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+2H"	2.014552
"1045756"	472.266676	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2H"	2.014552
"204784"	629.353142666667	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+3H"	3.021828
"644709"	943.526076	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+3H"	3.021828
"1164414"	315.180209333333	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+3H"	3.021828
"435714"	1903.071423	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+NH4"	18.033823
"790148"	2845.590223	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+NH4"	18.033823
"1690857"	960.552623	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+NH4"	18.033823
"342413"	952.0393495	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+H+NH4"	19.041099
"734834"	1423.2987495	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+H+NH4"	19.041099
"1485377"	480.7799495	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H+NH4"	19.041099
"402962"	1908.026818	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+Na"	22.989218
"758854"	2850.545618	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+Na"	22.989218
"1617524"	965.508018	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Na"	22.989218
"325374"	954.517047	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+H+Na"	23.996494
"717796"	1425.776447	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+H+Na"	23.996494
"1474898"	483.257647	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H+Na"	23.996494
"1063767"	322.507523333333	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2H+Na"	25.00377
"1267632"	975.552286	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+CH3OH+H"	33.033486
"386209"	1924.000758	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+K"	38.963158
"747206"	2866.519558	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+K"	38.963158
"1548164"	981.481958	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+K"	38.963158
"305343"	962.504017	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+H+K"	39.970434
"699951"	1433.763417	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+H+K"	39.970434
"1454868"	491.244617	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H+K"	39.970434
"242374"	1927.071426	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+ACN+H"	42.033826
"1215087"	984.552626	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+ACN+H"	42.033826
"1200064"	492.779951	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+ACN+2H"	43.041102
"200593"	1930.00876	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+2Na-H"	44.97116
"641247"	2872.52756	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+2Na-H"	44.97116
"1144759"	987.48996	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2Na-H"	44.97116
"186226"	965.508018	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+2Na"	45.978436
"626150"	1436.767418	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+2Na"	45.978436
"1129291"	494.248618	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2Na"	45.978436
"1410263"	329.834837333333	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H+2Na"	46.985712
"1434723"	989.531546	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H+HCOOH"	47.012746
"233531"	970.54104	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+3H2O+2H"	56.04448
"1520130"	1003.58359	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+IsoProp+H"	61.06479
"420919"	973.494988	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+Na+K"	61.952376
"779732"	1444.754388	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+Na+K"	61.952376
"1677154"	502.235588	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Na+K"	61.952376
"261486"	1949.053368	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+ACN+Na"	64.015768
"1234193"	1006.534568	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+ACN+Na"	64.015768
"1716517"	1006.558093	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+NH4+HCOOH"	64.039293
"1186247"	337.162151333333	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+3Na"	68.967654
"1658327"	1011.513488	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Na+HCOOH"	68.994688
"159718"	1961.95664	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+2K-H"	76.91904
"598062"	2904.47544	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+2K-H"	76.91904
"1088164"	1019.43784	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2K-H"	76.91904
"149354"	981.481958	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"2M+2K"	77.926316
"584538"	1452.741358	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"3M+2K"	77.926316
"1073057"	510.222558	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2K"	77.926316
"1104814"	1021.452392	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2K+H"	78.933592
"1339743"	1021.540007	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+DMSO+H"	79.021207
"1008272"	1025.579176	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2ACN+H"	83.060376
"1527496"	1026.572808	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+IsoProp+Na+H"	84.054008
"993944"	513.293226	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+2ACN+2H"	84.067652
"1588452"	1027.487428	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+K+HCOOH"	84.968628
"1427236"	1057.518938	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+H+CF3COOH"	115.000138
"1157524"	533.806501	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+3ACN+2H"	125.094202
"1699420"	1074.545485	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+NH4+CF3COOH"	132.026685
"1647104"	1079.50088	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+Na+CF3COOH"	136.98208
"1580567"	1095.47482	"C08963"	"Oleanoglycotoxin-A"	"C48H78O18"	"942.5188"	"M+K+CF3COOH"	152.95602
"805465"	632.3924	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M"	0
"984467"	613.37401	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-H2O-H"	-19.01839
"71615"	420.587657333333	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M-3H"	-3.021828
"506802"	631.385124	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M-3H"	-3.021828
"887884"	209.790190666667	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-3H"	-3.021828
"4272"	631.385124	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M-2H"	-2.014552
"446019"	947.581324	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M-2H"	-2.014552
"827102"	315.188924	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-2H"	-2.014552
"87097"	1263.777524	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M-H"	-1.007276
"529577"	1896.169924	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M-H"	-1.007276
"905556"	631.385124	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-H"	-1.007276
"57382"	1280.804071	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M-2H+NH4"	16.019271
"497671"	1913.196471	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M-2H+NH4"	16.019271
"877660"	648.411671	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-2H+NH4"	16.019271
"45561"	1285.759466	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M-2H+Na"	20.974666
"484026"	1918.151866	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M-2H+Na"	20.974666
"855995"	653.367066	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-2H+Na"	20.974666
"1626621"	653.367066	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Na-2H"	20.974666
"99868"	649.373463	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M-H+Cl"	33.962126
"539426"	965.569663	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M-H+Cl"	33.962126
"930754"	333.177263	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-H+Cl"	33.962126
"272592"	1299.754202	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+Cl"	34.969402
"663921"	1932.146602	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+Cl"	34.969402
"1282890"	667.361802	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Cl"	34.969402
"29826"	1301.733406	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M-2H+K"	36.948606
"470481"	1934.125806	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M-2H+K"	36.948606
"846950"	669.341006	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-2H+K"	36.948606
"1568495"	669.341006	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+K-2H"	36.948606
"958231"	677.390594	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-H+HCOOH"	44.998194
"375688"	1309.783001	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+HCOOH-H"	44.998201
"359211"	1323.798651	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+Hac-H"	59.013851
"1506219"	691.406251	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Hac-H"	59.013851
"973394"	699.372551	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-H+NaCOOH"	66.980151
"123397"	667.361802	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+2Cl"	69.938804
"562227"	983.558002	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+2Cl"	69.938804
"1032848"	351.165602	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2Cl"	69.938804
"1249508"	711.311285	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Br"	78.918885
"1309768"	713.367272	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Cl+HCOOH"	80.974872
"1330545"	735.349229	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Cl+NaCOOH"	102.956829
"921603"	745.377986	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M-H+CF3COOH"	112.985586
"1296125"	781.354664	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Cl+CF3COOH"	148.962264
"1375379"	597.379724	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H-2H2O"	-35.012676
"1389595"	615.3897	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H-H2O"	-17.0027
"289283"	1265.792076	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+H"	1.007276
"680611"	1898.184476	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+H"	1.007276
"1361334"	633.399676	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H"	1.007276
"134226"	633.399676	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+2H"	2.014552
"574880"	949.595876	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+2H"	2.014552
"1041492"	317.203476	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2H"	2.014552
"205744"	422.602209333333	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+3H"	3.021828
"645060"	633.399676	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+3H"	3.021828
"1164888"	211.804742666667	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+3H"	3.021828
"435824"	1282.818623	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+NH4"	18.033823
"795725"	1915.211023	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+NH4"	18.033823
"1693154"	650.426223	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+NH4"	18.033823
"343252"	641.9129495	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+H+NH4"	19.041099
"734944"	958.1091495	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+H+NH4"	19.041099
"1484393"	325.7167495	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H+NH4"	19.041099
"401979"	1287.774018	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+Na"	22.989218
"758600"	1920.166418	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+Na"	22.989218
"1616177"	655.381618	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Na"	22.989218
"325484"	644.390647	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+H+Na"	23.996494
"716813"	960.586847	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+H+Na"	23.996494
"1471728"	328.194447	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H+Na"	23.996494
"1062784"	219.132056666667	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2H+Na"	25.00377
"1268835"	665.425886	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+CH3OH+H"	33.033486
"385226"	1303.747958	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+K"	38.963158
"748408"	1936.140358	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+K"	38.963158
"1547180"	671.355558	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+K"	38.963158
"305450"	652.377617	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+H+K"	39.970434
"701154"	968.573817	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+H+K"	39.970434
"1456070"	336.181417	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H+K"	39.970434
"244671"	1306.818626	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+ACN+H"	42.033826
"1211184"	674.426226	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+ACN+H"	42.033826
"1194939"	337.716751	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+ACN+2H"	43.041102
"188659"	1309.75596	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+2Na-H"	44.97116
"635888"	1942.14836	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+2Na-H"	44.97116
"1144140"	677.36356	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2Na-H"	44.97116
"185243"	655.381618	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+2Na"	45.978436
"626624"	971.577818	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+2Na"	45.978436
"1129401"	339.185418	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2Na"	45.978436
"1411831"	226.459370666667	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H+2Na"	46.985712
"1434833"	679.405146	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H+HCOOH"	47.012746
"233276"	660.41464	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+3H2O+2H"	56.04448
"1521705"	693.45719	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+IsoProp+H"	61.06479
"421029"	663.368588	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+Na+K"	61.952376
"782029"	979.564788	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+Na+K"	61.952376
"1679816"	347.172388	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Na+K"	61.952376
"262325"	1328.800568	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+ACN+Na"	64.015768
"1234303"	696.408168	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+ACN+Na"	64.015768
"1717720"	696.431693	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+NH4+HCOOH"	64.039293
"1186357"	233.786684666667	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+3Na"	68.967654
"1658437"	701.387088	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Na+HCOOH"	68.994688
"158856"	1341.70384	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+2K-H"	76.91904
"597687"	1974.09624	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+2K-H"	76.91904
"1085722"	709.31144	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2K-H"	76.91904
"147277"	671.355558	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"2M+2K"	77.926316
"584648"	987.551758	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"3M+2K"	77.926316
"1070252"	355.159358	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2K"	77.926316
"1104560"	711.325992	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2K+H"	78.933592
"1340946"	711.413607	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+DMSO+H"	79.021207
"1008746"	715.452776	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2ACN+H"	83.060376
"1529792"	716.446408	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+IsoProp+Na+H"	84.054008
"994054"	358.230026	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+2ACN+2H"	84.067652
"1588683"	717.361028	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+K+HCOOH"	84.968628
"1427346"	747.392538	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+H+CF3COOH"	115.000138
"1157634"	378.743301	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+3ACN+2H"	125.094202
"1699530"	764.419085	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+NH4+CF3COOH"	132.026685
"1646121"	769.37448	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+Na+CF3COOH"	136.98208
"1580677"	785.34842	"C08964"	"Oleanoic acid 3-O-glucuronide;Silphioside F"	"C36H56O9"	"632.3924"	"M+K+CF3COOH"	152.95602
"804482"	440.329	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M"	0
"984577"	421.31061	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-H2O-H"	-19.01839
"69538"	292.545390666667	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M-3H"	-3.021828
"510192"	439.321724	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M-3H"	-3.021828
"884714"	145.769057333333	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-3H"	-3.021828
"4382"	439.321724	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M-2H"	-2.014552
"453782"	659.486224	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M-2H"	-2.014552
"829399"	219.157224	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-2H"	-2.014552
"80646"	879.650724	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M-H"	-1.007276
"527863"	1319.979724	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M-H"	-1.007276
"903477"	439.321724	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-H"	-1.007276
"57854"	896.677271	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M-2H+NH4"	16.019271
"498143"	1337.006271	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M-2H+NH4"	16.019271
"875948"	456.348271	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-2H+NH4"	16.019271
"43120"	901.632666	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M-2H+Na"	20.974666
"483406"	1341.961666	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M-2H+Na"	20.974666
"856105"	461.303666	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-2H+Na"	20.974666
"1627824"	461.303666	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Na-2H"	20.974666
"95969"	457.310063	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M-H+Cl"	33.962126
"541725"	677.474563	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M-H+Cl"	33.962126
"930865"	237.145563	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-H+Cl"	33.962126
"270517"	915.627402	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+Cl"	34.969402
"661115"	1355.956402	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+Cl"	34.969402
"1283365"	475.298402	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Cl"	34.969402
"28843"	917.606606	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M-2H+K"	36.948606
"468405"	1357.935606	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M-2H+K"	36.948606
"845113"	477.277606	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-2H+K"	36.948606
"1570552"	477.277606	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+K-2H"	36.948606
"956487"	485.327194	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-H+HCOOH"	44.998194
"375434"	925.656201	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+HCOOH-H"	44.998201
"360045"	939.671851	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+Hac-H"	59.013851
"1505967"	499.342851	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Hac-H"	59.013851
"972042"	507.309151	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-H+NaCOOH"	66.980151
"124236"	475.298402	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+2Cl"	69.938804
"562703"	695.462902	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+2Cl"	69.938804
"1032594"	255.133902	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2Cl"	69.938804
"1252898"	519.247885	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Br"	78.918885
"1310972"	521.303872	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Cl+HCOOH"	80.974872
"1329562"	543.285829	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Cl+NaCOOH"	102.956829
"921713"	553.314586	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M-H+CF3COOH"	112.985586
"1296235"	589.291264	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Cl+CF3COOH"	148.962264
"1377311"	405.316324	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H-2H2O"	-35.012676
"1390798"	423.3263	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H-H2O"	-17.0027
"290486"	881.665276	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+H"	1.007276
"681814"	1321.994276	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+H"	1.007276
"1361444"	441.336276	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H"	1.007276
"137616"	441.336276	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+2H"	2.014552
"577177"	661.500776	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+2H"	2.014552
"1041602"	221.171776	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2H"	2.014552
"206585"	294.559942666667	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+3H"	3.021828
"645781"	441.336276	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+3H"	3.021828
"1163417"	147.783609333333	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+3H"	3.021828
"433748"	898.691823	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+NH4"	18.033823
"794742"	1339.020823	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+NH4"	18.033823
"1691808"	458.362823	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+NH4"	18.033823
"342633"	449.8495495	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+H+NH4"	19.041099
"735054"	670.0140495	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+H+NH4"	19.041099
"1480494"	229.6850495	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H+NH4"	19.041099
"404276"	903.647218	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+Na"	22.989218
"761990"	1343.976218	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+Na"	22.989218
"1611183"	463.318218	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Na"	22.989218
"325594"	452.327247	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+H+Na"	23.996494
"716922"	672.491747	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+H+Na"	23.996494
"1471838"	232.162747	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H+Na"	23.996494
"1061803"	155.110923333333	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2H+Na"	25.00377
"1265665"	473.362486	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+CH3OH+H"	33.033486
"387523"	919.621158	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+K"	38.963158
"748519"	1359.950158	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+K"	38.963158
"1548384"	479.292158	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+K"	38.963158
"309933"	460.314217	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+H+K"	39.970434
"701264"	680.478717	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+H+K"	39.970434
"1456179"	240.149717	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H+K"	39.970434
"244781"	922.691826	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+ACN+H"	42.033826
"1211294"	482.362826	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+ACN+H"	42.033826
"1194847"	241.685051	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+ACN+2H"	43.041102
"188931"	925.62916	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+2Na-H"	44.97116
"634904"	1365.95816	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+2Na-H"	44.97116
"1144612"	485.30016	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2Na-H"	44.97116
"185717"	463.318218	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+2Na"	45.978436
"627100"	683.482718	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+2Na"	45.978436
"1129511"	243.153718	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2Na"	45.978436
"1412305"	162.438237333333	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H+2Na"	46.985712
"1437130"	487.341746	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H+HCOOH"	47.012746
"233386"	468.35124	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+3H2O+2H"	56.04448
"1522906"	501.39379	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+IsoProp+H"	61.06479
"420775"	471.305188	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+Na+K"	61.952376
"782139"	691.469688	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+Na+K"	61.952376
"1678832"	251.140688	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Na+K"	61.952376
"263892"	944.673768	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+ACN+Na"	64.015768
"1233320"	504.344768	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+ACN+Na"	64.015768
"1716008"	504.368293	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+NH4+HCOOH"	64.039293
"1186467"	169.765551333333	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+3Na"	68.967654
"1658547"	509.323688	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Na+HCOOH"	68.994688
"159939"	957.57704	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+2K-H"	76.91904
"597432"	1397.90604	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+2K-H"	76.91904
"1087290"	517.24804	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2K-H"	76.91904
"149574"	479.292158	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"2M+2K"	77.926316
"585850"	699.456658	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"3M+2K"	77.926316
"1072184"	259.127658	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2K"	77.926316
"1104670"	519.262592	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2K+H"	78.933592
"1339963"	519.350207	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+DMSO+H"	79.021207
"1008492"	523.389376	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2ACN+H"	83.060376
"1528810"	524.383008	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+IsoProp+Na+H"	84.054008
"994164"	262.198326	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+2ACN+2H"	84.067652
"1590859"	525.297628	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+K+HCOOH"	84.968628
"1425269"	555.329138	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+H+CF3COOH"	115.000138
"1157744"	282.711601	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+3ACN+2H"	125.094202
"1699640"	572.355685	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+NH4+CF3COOH"	132.026685
"1646230"	577.31108	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+Na+CF3COOH"	136.98208
"1580787"	593.28502	"C08965"	"Pfaffic acid"	"C29H44O3"	"440.329"	"M+K+CF3COOH"	152.95602
"804591"	748.4034	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M"	0
"985780"	729.38501	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-H2O-H"	-19.01839
"71835"	497.928324	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M-3H"	-3.021828
"512489"	747.396124	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M-3H"	-3.021828
"883730"	248.460524	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-3H"	-3.021828
"4492"	747.396124	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M-2H"	-2.014552
"450612"	1121.597824	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M-2H"	-2.014552
"826228"	373.194424	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-2H"	-2.014552
"79662"	1495.799524	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M-H"	-1.007276
"526879"	2244.202924	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M-H"	-1.007276
"904680"	747.396124	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-H"	-1.007276
"57963"	1512.826071	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M-2H+NH4"	16.019271
"494243"	2261.229471	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M-2H+NH4"	16.019271
"875691"	764.422671	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-2H+NH4"	16.019271
"42500"	1517.781466	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M-2H+Na"	20.974666
"482059"	2266.184866	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M-2H+Na"	20.974666
"856214"	769.378066	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-2H+Na"	20.974666
"1627933"	769.378066	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Na-2H"	20.974666
"97902"	765.384463	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M-H+Cl"	33.962126
"538555"	1139.586163	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M-H+Cl"	33.962126
"928788"	391.182763	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-H+Cl"	33.962126
"271720"	1531.776202	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+Cl"	34.969402
"661225"	2280.179602	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+Cl"	34.969402
"1285661"	783.372802	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Cl"	34.969402
"25664"	1533.755406	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M-2H+K"	36.948606
"468146"	2282.158806	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M-2H+K"	36.948606
"844126"	785.352006	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-2H+K"	36.948606
"1567252"	785.352006	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+K-2H"	36.948606
"952218"	793.401594	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-H+HCOOH"	44.998194
"376029"	1541.805001	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+HCOOH-H"	44.998201
"361128"	1555.820651	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+Hac-H"	59.013851
"1507898"	807.417251	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Hac-H"	59.013851
"973248"	815.383551	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-H+NaCOOH"	66.980151
"125684"	783.372802	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+2Cl"	69.938804
"565527"	1157.574502	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+2Cl"	69.938804
"1035255"	409.171102	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2Cl"	69.938804
"1249728"	827.322285	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Br"	78.918885
"1313268"	829.378272	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Cl+HCOOH"	80.974872
"1333683"	851.360229	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Cl+NaCOOH"	102.956829
"921823"	861.388986	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M-H+CF3COOH"	112.985586
"1295251"	897.365664	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Cl+CF3COOH"	148.962264
"1375600"	713.390724	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H-2H2O"	-35.012676
"1394918"	731.4007	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H-H2O"	-17.0027
"290595"	1497.814076	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+H"	1.007276
"685204"	2246.217476	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+H"	1.007276
"1359367"	749.410676	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H"	1.007276
"138818"	749.410676	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+2H"	2.014552
"575100"	1123.612376	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+2H"	2.014552
"1044993"	375.208976	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2H"	2.014552
"206695"	499.942876	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+3H"	3.021828
"650264"	749.410676	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+3H"	3.021828
"1176410"	250.475076	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+3H"	3.021828
"437137"	1514.840623	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+NH4"	18.033823
"795945"	2263.244023	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+NH4"	18.033823
"1693369"	766.437223	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+NH4"	18.033823
"340560"	757.9239495	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+H+NH4"	19.041099
"732979"	1132.1256495	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+H+NH4"	19.041099
"1483884"	383.7222495	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H+NH4"	19.041099
"404386"	1519.796018	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+Na"	22.989218
"758821"	2268.199418	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+Na"	22.989218
"1611293"	771.392618	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Na"	22.989218
"323517"	760.401647	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+H+Na"	23.996494
"721404"	1134.603347	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+H+Na"	23.996494
"1471948"	386.199947	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H+Na"	23.996494
"1065191"	257.80239	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2H+Na"	25.00377
"1265775"	781.436886	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+CH3OH+H"	33.033486
"386539"	1535.769958	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+K"	38.963158
"747533"	2284.173358	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+K"	38.963158
"1551774"	787.366558	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+K"	38.963158
"310045"	768.388617	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+H+K"	39.970434
"704651"	1142.590317	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+H+K"	39.970434
"1456288"	394.186917	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H+K"	39.970434
"243798"	1538.840626	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+ACN+H"	42.033826
"1212133"	790.437226	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+ACN+H"	42.033826
"1196746"	395.722251	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+ACN+2H"	43.041102
"189248"	1541.77796	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+2Na-H"	44.97116
"635014"	2290.18136	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+2Na-H"	44.97116
"1142897"	793.37456	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2Na-H"	44.97116
"186188"	771.392618	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+2Na"	45.978436
"627087"	1145.594318	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+2Na"	45.978436
"1129255"	397.190918	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2Na"	45.978436
"1410592"	265.129704	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H+2Na"	46.985712
"1435054"	795.416146	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H+HCOOH"	47.012746
"232403"	776.42564	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+3H2O+2H"	56.04448
"1522651"	809.46819	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+IsoProp+H"	61.06479
"422341"	779.379588	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+Na+K"	61.952376
"780062"	1153.581288	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+Na+K"	61.952376
"1678578"	405.177888	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Na+K"	61.952376
"264002"	1560.822568	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+ACN+Na"	64.015768
"1233430"	812.419168	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+ACN+Na"	64.015768
"1715754"	812.442693	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+NH4+HCOOH"	64.039293
"1186577"	272.457018	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+3Na"	68.967654
"1659750"	817.398088	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Na+HCOOH"	68.994688
"163329"	1573.72584	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+2K-H"	76.91904
"599241"	2322.12924	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+2K-H"	76.91904
"1089587"	825.32244	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2K-H"	76.91904
"148591"	787.366558	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"2M+2K"	77.926316
"585960"	1161.568258	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"3M+2K"	77.926316
"1070840"	413.164858	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2K"	77.926316
"1102954"	827.336992	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2K+H"	78.933592
"1338983"	827.424607	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+DMSO+H"	79.021207
"1009699"	831.463776	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2ACN+H"	83.060376
"1533294"	832.457408	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+IsoProp+Na+H"	84.054008
"995368"	416.235526	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+2ACN+2H"	84.067652
"1596437"	833.372028	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+K+HCOOH"	84.968628
"1427565"	863.403538	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+H+CF3COOH"	115.000138
"1155666"	436.748801	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+3ACN+2H"	125.094202
"1698655"	880.430085	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+NH4+CF3COOH"	132.026685
"1646340"	885.38548	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+Na+CF3COOH"	136.98208
"1580897"	901.35942	"C08966"	"Pfaffoside A"	"C40H60O13"	"748.4034"	"M+K+CF3COOH"	152.95602
"802514"	1380.6562	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M"	0
"981516"	1361.63781	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-H2O-H"	-19.01839
"71945"	919.430190666667	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M-3H"	-3.021828
"511506"	1379.648924	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M-3H"	-3.021828
"881775"	459.211457333333	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-3H"	-3.021828
"4602"	1379.648924	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M-2H"	-2.014552
"450722"	2069.977024	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M-2H"	-2.014552
"825245"	689.320824	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-2H"	-2.014552
"80135"	2760.305124	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M-H"	-1.007276
"526989"	4140.961324	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M-H"	-1.007276
"904789"	1379.648924	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-H"	-1.007276
"59168"	2777.331671	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M-2H+NH4"	16.019271
"496540"	4157.987871	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M-2H+NH4"	16.019271
"876530"	1396.675471	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-2H+NH4"	16.019271
"43339"	2782.287066	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M-2H+Na"	20.974666
"482898"	4162.943266	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M-2H+Na"	20.974666
"857419"	1401.630866	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-2H+Na"	20.974666
"1628043"	1401.630866	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Na-2H"	20.974666
"99105"	1397.637263	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M-H+Cl"	33.962126
"538664"	2087.965363	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M-H+Cl"	33.962126
"929991"	707.309163	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-H+Cl"	33.962126
"271830"	2796.281802	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+Cl"	34.969402
"664252"	4176.938002	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+Cl"	34.969402
"1286499"	1415.625602	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Cl"	34.969402
"26867"	2798.261006	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M-2H+K"	36.948606
"469713"	4178.917206	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M-2H+K"	36.948606
"844236"	1417.604806	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-2H+K"	36.948606
"1565532"	1417.604806	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+K-2H"	36.948606
"951592"	1425.654394	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-H+HCOOH"	44.998194
"370537"	2806.310601	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+HCOOH-H"	44.998201
"356614"	2820.326251	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+Hac-H"	59.013851
"1498885"	1439.670051	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Hac-H"	59.013851
"973478"	1447.636351	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-H+NaCOOH"	66.980151
"124694"	1415.625602	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+2Cl"	69.938804
"560364"	2105.953702	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+2Cl"	69.938804
"1036702"	725.297502	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2Cl"	69.938804
"1249837"	1459.575085	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Br"	78.918885
"1315566"	1461.631072	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Cl+HCOOH"	80.974872
"1331970"	1483.613029	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Cl+NaCOOH"	102.956829
"918653"	1493.641786	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M-H+CF3COOH"	112.985586
"1295361"	1529.618464	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Cl+CF3COOH"	148.962264
"1375710"	1345.643524	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H-2H2O"	-35.012676
"1388832"	1363.6535	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H-H2O"	-17.0027
"287426"	2762.319676	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+H"	1.007276
"680940"	4142.975876	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+H"	1.007276
"1355103"	1381.663476	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H"	1.007276
"136742"	1381.663476	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+2H"	2.014552
"571929"	2071.991576	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+2H"	2.014552
"1041822"	691.335376	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2H"	2.014552
"204617"	921.444742666667	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+3H"	3.021828
"645272"	1381.663476	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+3H"	3.021828
"1168499"	461.226009333333	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+3H"	3.021828
"436154"	2779.346223	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+NH4"	18.033823
"796055"	4160.002423	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+NH4"	18.033823
"1692386"	1398.690023	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+NH4"	18.033823
"339213"	1390.1767495	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+H+NH4"	19.041099
"730175"	2080.5048495	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+H+NH4"	19.041099
"1482900"	699.8486495	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H+NH4"	19.041099
"402309"	2784.301618	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+Na"	22.989218
"759659"	4164.957818	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+Na"	22.989218
"1614683"	1403.645418	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Na"	22.989218
"326907"	1392.654447	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+H+Na"	23.996494
"717141"	2082.982547	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+H+Na"	23.996494
"1469869"	702.326347	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H+Na"	23.996494
"1064207"	468.553323333333	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2H+Na"	25.00377
"1264790"	1413.689686	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+CH3OH+H"	33.033486
"385555"	2800.275558	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+K"	38.963158
"747643"	4180.931758	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+K"	38.963158
"1550791"	1419.619358	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+K"	38.963158
"311248"	1400.641417	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+H+K"	39.970434
"701482"	2090.969517	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+H+K"	39.970434
"1455304"	710.313317	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H+K"	39.970434
"241721"	2803.346226	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+ACN+H"	42.033826
"1210784"	1422.690026	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+ACN+H"	42.033826
"1196856"	711.848651	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+ACN+2H"	43.041102
"189116"	2806.28356	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+2Na-H"	44.97116
"634028"	4186.93976	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+2Na-H"	44.97116
"1143007"	1425.62736	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2Na-H"	44.97116
"185934"	1403.645418	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+2Na"	45.978436
"625495"	2093.973518	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+2Na"	45.978436
"1128270"	713.317318	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2Na"	45.978436
"1410702"	475.880637333333	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H+2Na"	46.985712
"1435164"	1427.668946	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H+HCOOH"	47.012746
"229233"	1408.67844	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+3H2O+2H"	56.04448
"1521668"	1441.72099	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+IsoProp+H"	61.06479
"423788"	1411.632388	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+Na+K"	61.952376
"781995"	2101.960488	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+Na+K"	61.952376
"1679417"	721.304288	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Na+K"	61.952376
"257551"	2825.328168	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+ACN+Na"	64.015768
"1233540"	1444.671968	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+ACN+Na"	64.015768
"1715863"	1444.695493	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+NH4+HCOOH"	64.039293
"1184500"	483.207951333333	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+3Na"	68.967654
"1659860"	1449.650888	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Na+HCOOH"	68.994688
"162346"	2838.23144	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+2K-H"	76.91904
"598988"	4218.88764	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+2K-H"	76.91904
"1086418"	1457.57524	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2K-H"	76.91904
"147607"	1419.619358	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"2M+2K"	77.926316
"582909"	2109.947458	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"3M+2K"	77.926316
"1069611"	729.291258	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2K"	77.926316
"1103063"	1459.589792	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2K+H"	78.933592
"1340186"	1459.677407	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+DMSO+H"	79.021207
"1007986"	1463.716576	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2ACN+H"	83.060376
"1533404"	1464.710208	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+IsoProp+Na+H"	84.054008
"996571"	732.361926	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+2ACN+2H"	84.067652
"1596547"	1465.624828	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+K+HCOOH"	84.968628
"1427675"	1495.656338	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+H+CF3COOH"	115.000138
"1154683"	752.875201	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+3ACN+2H"	125.094202
"1698765"	1512.682885	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+NH4+CF3COOH"	132.026685
"1646450"	1517.63828	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+Na+CF3COOH"	136.98208
"1581007"	1533.61222	"C08967"	"Phaseoloside D"	"C65H104O31"	"1380.6562"	"M+K+CF3COOH"	152.95602
"803353"	664.3823	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M"	0
"979438"	645.36391	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-H2O-H"	-19.01839
"68776"	441.914257333333	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M-3H"	-3.021828
"506149"	663.375024	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M-3H"	-3.021828
"882858"	220.453490666667	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-3H"	-3.021828
"1067"	663.375024	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M-2H"	-2.014552
"442088"	995.566174	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M-2H"	-2.014552
"822076"	331.183874	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-2H"	-2.014552
"83163"	1327.757324	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M-H"	-1.007276
"531475"	1992.139624	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M-H"	-1.007276
"908910"	663.375024	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-H"	-1.007276
"58185"	1344.783871	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M-2H+NH4"	16.019271
"500662"	2009.166171	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M-2H+NH4"	16.019271
"874456"	680.401571	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-2H+NH4"	16.019271
"37981"	1349.739266	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M-2H+Na"	20.974666
"479728"	2014.121566	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M-2H+Na"	20.974666
"858622"	685.356966	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-2H+Na"	20.974666
"1629248"	685.356966	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Na-2H"	20.974666
"99216"	681.363363	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M-H+Cl"	33.962126
"537680"	1013.554513	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M-H+Cl"	33.962126
"931197"	349.172213	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-H+Cl"	33.962126
"273036"	1363.734002	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+Cl"	34.969402
"667645"	2028.116302	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+Cl"	34.969402
"1287464"	699.351702	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Cl"	34.969402
"29172"	1365.713206	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M-2H+K"	36.948606
"469098"	2030.095506	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M-2H+K"	36.948606
"845076"	701.330906	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-2H+K"	36.948606
"1563459"	701.330906	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+K-2H"	36.948606
"948064"	709.380494	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-H+HCOOH"	44.998194
"373938"	1373.762801	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+HCOOH-H"	44.998201
"360009"	1387.778451	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+Hac-H"	59.013851
"1507752"	723.396151	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Hac-H"	59.013851
"972373"	731.362451	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-H+NaCOOH"	66.980151
"122011"	699.351702	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+2Cl"	69.938804
"564854"	1031.542852	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+2Cl"	69.938804
"1030370"	367.160552	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2Cl"	69.938804
"1253597"	743.301185	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Br"	78.918885
"1315678"	745.357172	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Cl+HCOOH"	80.974872
"1326613"	767.339129	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Cl+NaCOOH"	102.956829
"917670"	777.367886	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M-H+CF3COOH"	112.985586
"1291098"	813.344564	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Cl+CF3COOH"	148.962264
"1372542"	629.369624	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H-2H2O"	-35.012676
"1385662"	647.3796	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H-H2O"	-17.0027
"289724"	1329.771876	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+H"	1.007276
"682146"	1994.154176	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+H"	1.007276
"1358498"	665.389576	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H"	1.007276
"130291"	665.389576	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+2H"	2.014552
"566938"	997.580726	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+2H"	2.014552
"1037159"	333.198426	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2H"	2.014552
"206548"	443.928809333333	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+3H"	3.021828
"644433"	665.389576	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+3H"	3.021828
"1163006"	222.468042666667	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+3H"	3.021828
"432985"	1346.798423	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+NH4"	18.033823
"789970"	2011.180723	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+NH4"	18.033823
"1691406"	682.416123	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+NH4"	18.033823
"338594"	673.9028495	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+H+NH4"	19.041099
"731014"	1006.0939995	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+H+NH4"	19.041099
"1484835"	341.7116995	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H+NH4"	19.041099
"399141"	1351.753818	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+Na"	22.989218
"762321"	2016.136118	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+Na"	22.989218
"1606773"	687.371518	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Na"	22.989218
"322642"	676.380547	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+H+Na"	23.996494
"716158"	1008.571697	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+H+Na"	23.996494
"1467792"	344.189397	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H+Na"	23.996494
"1064318"	229.795356666667	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2H+Na"	25.00377
"1262715"	697.415786	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+CH3OH+H"	33.033486
"384575"	1367.727758	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+K"	38.963158
"740464"	2032.110058	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+K"	38.963158
"1546527"	703.345458	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+K"	38.963158
"306986"	684.367517	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+H+K"	39.970434
"698316"	1016.558667	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+H+K"	39.970434
"1453228"	352.176367	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H+K"	39.970434
"240737"	1370.798426	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+ACN+H"	42.033826
"1210284"	706.416126	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+ACN+H"	42.033826
"1196967"	353.711701	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+ACN+2H"	43.041102
"194582"	1373.73576	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+2Na-H"	44.97116
"643380"	2038.11806	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+2Na-H"	44.97116
"1139837"	709.35346	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2Na-H"	44.97116
"184586"	687.371518	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+2Na"	45.978436
"625605"	1019.562668	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+2Na"	45.978436
"1128380"	355.180368	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2Na"	45.978436
"1407532"	237.122670666667	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H+2Na"	46.985712
"1442562"	711.395046	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H+HCOOH"	47.012746
"229342"	692.40454	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+3H2O+2H"	56.04448
"1519591"	725.44709	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+IsoProp+H"	61.06479
"420375"	695.358488	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+Na+K"	61.952376
"778095"	1027.549638	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+Na+K"	61.952376
"1675516"	363.167338	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Na+K"	61.952376
"263128"	1392.780368	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+ACN+Na"	64.015768
"1235837"	728.398068	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+ACN+Na"	64.015768
"1720713"	728.421593	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+NH4+HCOOH"	64.039293
"1191171"	244.449984666667	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+3Na"	68.967654
"1659970"	733.376988	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Na+HCOOH"	68.994688
"157836"	1405.68364	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+2K-H"	76.91904
"603841"	2070.06594	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+2K-H"	76.91904
"1087986"	741.30134	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2K-H"	76.91904
"145896"	703.345458	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"2M+2K"	77.926316
"582899"	1035.536608	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"3M+2K"	77.926316
"1071059"	371.154308	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2K"	77.926316
"1102807"	743.315892	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2K+H"	78.933592
"1338110"	743.403507	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+DMSO+H"	79.021207
"1008825"	747.442676	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2ACN+H"	83.060376
"1533514"	748.436308	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+IsoProp+Na+H"	84.054008
"997776"	374.224976	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+2ACN+2H"	84.067652
"1594470"	749.350928	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+K+HCOOH"	84.968628
"1427785"	779.382438	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+H+CF3COOH"	115.000138
"1153698"	394.738251	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+3ACN+2H"	125.094202
"1702155"	796.408985	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+NH4+CF3COOH"	132.026685
"1646560"	801.36438	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+Na+CF3COOH"	136.98208
"1581117"	817.33832	"C08968"	"Phytolaccoside B;Esculentoside B"	"C36H56O11"	"664.3823"	"M+K+CF3COOH"	152.95602
"804922"	768.466	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M"	0
"981735"	749.44761	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-H2O-H"	-19.01839
"65607"	511.303390666667	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M-3H"	-3.021828
"508447"	767.458724	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M-3H"	-3.021828
"882969"	255.148057333333	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-3H"	-3.021828
"1543"	767.458724	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M-2H"	-2.014552
"444384"	1151.691724	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M-2H"	-2.014552
"818906"	383.225724	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-2H"	-2.014552
"81451"	1535.924724	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M-H"	-1.007276
"531220"	2304.390724	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M-H"	-1.007276
"908656"	767.458724	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-H"	-1.007276
"60482"	1552.951271	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M-2H+NH4"	16.019271
"500043"	2321.417271	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M-2H+NH4"	16.019271
"873473"	784.485271	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-2H+NH4"	16.019271
"41372"	1557.906666	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M-2H+Na"	20.974666
"482026"	2326.372666	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M-2H+Na"	20.974666
"857640"	789.440666	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-2H+Na"	20.974666
"1627173"	789.440666	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Na-2H"	20.974666
"104794"	785.447063	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M-H+Cl"	33.962126
"536699"	1169.680063	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M-H+Cl"	33.962126
"930215"	401.214063	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-H+Cl"	33.962126
"273146"	1571.901402	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+Cl"	34.969402
"663380"	2340.367402	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+Cl"	34.969402
"1277975"	803.435402	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Cl"	34.969402
"25999"	1573.880606	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M-2H+K"	36.948606
"468843"	2342.346606	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M-2H+K"	36.948606
"841174"	805.414606	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-2H+K"	36.948606
"1563571"	805.414606	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+K-2H"	36.948606
"945986"	813.464194	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-H+HCOOH"	44.998194
"369671"	1581.930201	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+HCOOH-H"	44.998201
"357203"	1595.945851	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+Hac-H"	59.013851
"1503120"	827.479851	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Hac-H"	59.013851
"971390"	835.446151	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-H+NaCOOH"	66.980151
"119570"	803.435402	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+2Cl"	69.938804
"565535"	1187.668402	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+2Cl"	69.938804
"1030480"	419.202402	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2Cl"	69.938804
"1255166"	847.384885	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Br"	78.918885
"1317611"	849.440872	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Cl+HCOOH"	80.974872
"1330005"	871.422829	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Cl+NaCOOH"	102.956829
"917782"	881.451586	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M-H+CF3COOH"	112.985586
"1291208"	917.428264	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Cl+CF3COOH"	148.962264
"1372652"	733.453324	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H-2H2O"	-35.012676
"1383949"	751.4633	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H-H2O"	-17.0027
"287648"	1537.939276	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+H"	1.007276
"685536"	2306.405276	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+H"	1.007276
"1357512"	769.473276	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H"	1.007276
"129307"	769.473276	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+2H"	2.014552
"567412"	1153.706276	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+2H"	2.014552
"1037377"	385.240276	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2H"	2.014552
"206657"	513.317942666667	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+3H"	3.021828
"644265"	769.473276	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+3H"	3.021828
"1163361"	257.162609333333	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+3H"	3.021828
"433095"	1554.965823	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+NH4"	18.033823
"789715"	2323.431823	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+NH4"	18.033823
"1691519"	786.499823	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+NH4"	18.033823
"337611"	777.9865495	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+H+NH4"	19.041099
"735500"	1162.2195495	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+H+NH4"	19.041099
"1484945"	393.7535495	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H+NH4"	19.041099
"404718"	1559.921218	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+Na"	22.989218
"761338"	2328.387218	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+Na"	22.989218
"1606519"	791.455218	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Na"	22.989218
"321659"	780.464247	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+H+Na"	23.996494
"711893"	1164.697247	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+H+Na"	23.996494
"1464257"	396.231247	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H+Na"	23.996494
"1064429"	264.489923333333	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2H+Na"	25.00377
"1263918"	801.499486	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+CH3OH+H"	33.033486
"384685"	1575.895158	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+K"	38.963158
"740210"	2344.361158	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+K"	38.963158
"1545544"	807.429158	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+K"	38.963158
"306003"	788.451217	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+H+K"	39.970434
"700613"	1172.684217	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+H+K"	39.970434
"1450057"	404.218217	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H+K"	39.970434
"239753"	1578.965826	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+ACN+H"	42.033826
"1209909"	810.499826	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+ACN+H"	42.033826
"1196348"	405.753551	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+ACN+2H"	43.041102
"193963"	1581.90316	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+2Na-H"	44.97116
"643248"	2350.36916	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+2Na-H"	44.97116
"1139947"	813.43716	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2Na-H"	44.97116
"185060"	791.455218	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+2Na"	45.978436
"627664"	1175.688218	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+2Na"	45.978436
"1128126"	407.222218	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2Na"	45.978436
"1413965"	271.817237333333	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H+2Na"	46.985712
"1442672"	815.478746	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H+HCOOH"	47.012746
"232733"	796.48824	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+3H2O+2H"	56.04448
"1523590"	829.53079	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+IsoProp+H"	61.06479
"423641"	799.442188	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+Na+K"	61.952376
"780389"	1183.675188	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+Na+K"	61.952376
"1676719"	415.209188	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Na+K"	61.952376
"261051"	1600.947768	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+ACN+Na"	64.015768
"1235947"	832.481768	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+ACN+Na"	64.015768
"1717542"	832.505293	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+NH4+HCOOH"	64.039293
"1185814"	279.144551333333	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+3Na"	68.967654
"1658987"	837.460688	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Na+HCOOH"	68.994688
"162567"	1613.85104	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+2K-H"	76.91904
"604316"	2382.31704	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+2K-H"	76.91904
"1089920"	845.38504	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2K-H"	76.91904
"145642"	807.429158	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"2M+2K"	77.926316
"584104"	1191.662158	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"3M+2K"	77.926316
"1069348"	423.196158	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2K"	77.926316
"1100731"	847.399592	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2K+H"	78.933592
"1338220"	847.487207	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+DMSO+H"	79.021207
"1008936"	851.526376	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2ACN+H"	83.060376
"1531438"	852.520008	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+IsoProp+Na+H"	84.054008
"995699"	426.266826	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+2ACN+2H"	84.067652
"1593487"	853.434628	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+K+HCOOH"	84.968628
"1427897"	883.466138	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+H+CF3COOH"	115.000138
"1158183"	446.780101	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+3ACN+2H"	125.094202
"1702267"	900.492685	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+NH4+CF3COOH"	132.026685
"1648858"	905.44808	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+Na+CF3COOH"	136.98208
"1581227"	921.42202	"C08969"	"Pittoside A"	"C41H68O13"	"768.466"	"M+K+CF3COOH"	152.95602
"801953"	1104.5716	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M"	0
"978565"	1085.55321	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-H2O-H"	-19.01839
"65717"	735.373790666667	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M-3H"	-3.021828
"505277"	1103.564324	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M-3H"	-3.021828
"880404"	367.183257333333	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-3H"	-3.021828
"394"	1103.564324	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M-2H"	-2.014552
"443400"	1655.850124	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M-2H"	-2.014552
"819380"	551.278524	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-2H"	-2.014552
"80831"	2208.135924	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M-H"	-1.007276
"530966"	3312.707524	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M-H"	-1.007276
"906214"	1103.564324	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-H"	-1.007276
"58041"	2225.162471	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M-2H+NH4"	16.019271
"499060"	3329.734071	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M-2H+NH4"	16.019271
"872488"	1120.590871	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-2H+NH4"	16.019271
"40388"	2230.117866	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M-2H+Na"	20.974666
"481042"	3334.689466	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M-2H+Na"	20.974666
"854471"	1125.546266	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-2H+Na"	20.974666
"1627283"	1125.546266	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Na-2H"	20.974666
"104903"	1121.552663	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M-H+Cl"	33.962126
"537902"	1673.838463	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M-H+Cl"	33.962126
"930325"	569.266863	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-H+Cl"	33.962126
"273256"	2244.112602	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+Cl"	34.969402
"664583"	3348.684202	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+Cl"	34.969402
"1280271"	1139.541002	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Cl"	34.969402
"26109"	2246.091806	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M-2H+K"	36.948606
"466765"	3350.663406	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M-2H+K"	36.948606
"841284"	1141.520206	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-2H+K"	36.948606
"1564773"	1141.520206	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+K-2H"	36.948606
"948282"	1149.569794	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-H+HCOOH"	44.998194
"364671"	2254.141401	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+HCOOH-H"	44.998201
"351478"	2268.157051	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+Hac-H"	59.013851
"1502496"	1163.585451	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Hac-H"	59.013851
"960198"	1171.551751	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-H+NaCOOH"	66.980151
"115666"	1139.541002	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+2Cl"	69.938804
"556322"	1691.826802	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+2Cl"	69.938804
"1027309"	587.255202	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2Cl"	69.938804
"1244700"	1183.490485	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Br"	78.918885
"1310429"	1185.546472	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Cl+HCOOH"	80.974872
"1321364"	1207.528429	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Cl+NaCOOH"	102.956829
"916797"	1217.557186	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M-H+CF3COOH"	112.985586
"1292412"	1253.533864	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Cl+CF3COOH"	148.962264
"1372762"	1069.558924	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H-2H2O"	-35.012676
"1382923"	1087.5689	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H-H2O"	-17.0027
"285569"	2210.150476	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+H"	1.007276
"676897"	3314.722076	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+H"	1.007276
"1361995"	1105.578876	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H"	1.007276
"131604"	1105.578876	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+2H"	2.014552
"567158"	1657.864676	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+2H"	2.014552
"1038749"	553.293076	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2H"	2.014552
"206769"	737.388342666667	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+3H"	3.021828
"644420"	1105.578876	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+3H"	3.021828
"1162801"	369.197809333333	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+3H"	3.021828
"428826"	2227.177023	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+NH4"	18.033823
"790190"	3331.748623	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+NH4"	18.033823
"1692719"	1122.605423	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+NH4"	18.033823
"341001"	1114.0921495	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+H+NH4"	19.041099
"730142"	1666.3779495	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+H+NH4"	19.041099
"1485055"	561.8063495	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H+NH4"	19.041099
"399360"	2232.132418	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+Na"	22.989218
"762543"	3336.704018	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+Na"	22.989218
"1611734"	1127.560818	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Na"	22.989218
"318125"	1116.569847	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+H+Na"	23.996494
"715287"	1668.855647	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+H+Na"	23.996494
"1468013"	564.284047	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H+Na"	23.996494
"1064540"	376.525123333333	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2H+Na"	25.00377
"1265125"	1137.605086	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+CH3OH+H"	33.033486
"386983"	2248.106358	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+K"	38.963158
"747978"	3352.677958	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+K"	38.963158
"1551128"	1143.534758	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+K"	38.963158
"309395"	1124.556817	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+H+K"	39.970434
"699631"	1676.842617	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+H+K"	39.970434
"1451261"	572.271017	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H+K"	39.970434
"237678"	2251.177026	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+ACN+H"	42.033826
"1212211"	1146.605426	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+ACN+H"	42.033826
"1198647"	573.806351	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+ACN+2H"	43.041102
"203799"	2254.11436	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+2Na-H"	44.97116
"636551"	3358.68596	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+2Na-H"	44.97116
"1143946"	1149.54276	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2Na-H"	44.97116
"185049"	1127.560818	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+2Na"	45.978436
"627657"	1679.846618	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+2Na"	45.978436
"1129817"	575.275018	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2Na"	45.978436
"1412006"	383.852437333333	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H+2Na"	46.985712
"1444733"	1151.584346	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H+HCOOH"	47.012746
"231750"	1132.59384	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+3H2O+2H"	56.04448
"1523216"	1165.63639	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+IsoProp+H"	61.06479
"422659"	1135.547788	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+Na+K"	61.952376
"783773"	1687.833588	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+Na+K"	61.952376
"1675007"	583.261988	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Na+K"	61.952376
"261161"	2273.158968	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+ACN+Na"	64.015768
"1235328"	1168.587368	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+ACN+Na"	64.015768
"1716558"	1168.610893	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+NH4+HCOOH"	64.039293
"1179239"	391.179751333333	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+3Na"	68.967654
"1652899"	1173.566288	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Na+HCOOH"	68.994688
"161947"	2286.06224	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+2K-H"	76.91904
"602237"	3390.63384	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+2K-H"	76.91904
"1090029"	1181.49064	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2K-H"	76.91904
"143565"	1143.534758	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"2M+2K"	77.926316
"586407"	1695.820558	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"3M+2K"	77.926316
"1069824"	591.248958	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2K"	77.926316
"1103028"	1183.505192	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2K+H"	78.933592
"1338330"	1183.592807	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+DMSO+H"	79.021207
"1007952"	1187.631976	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2ACN+H"	83.060376
"1524736"	1188.625608	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+IsoProp+Na+H"	84.054008
"991430"	594.319626	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+2ACN+2H"	84.067652
"1588247"	1189.540228	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+K+HCOOH"	84.968628
"1420349"	1219.571738	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+H+CF3COOH"	115.000138
"1158293"	614.832901	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+3ACN+2H"	125.094202
"1702377"	1236.598285	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+NH4+CF3COOH"	132.026685
"1648968"	1241.55368	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+Na+CF3COOH"	136.98208
"1581337"	1257.52762	"C08970"	"Primulasaponin"	"C54H88O23"	"1104.5716"	"M+K+CF3COOH"	152.95602
"811705"	484.3189	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M"	0
"984147"	465.30051	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-H2O-H"	-19.01839
"77734"	321.871990666667	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M-3H"	-3.021828
"511949"	483.311624	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M-3H"	-3.021828
"891938"	160.432357333333	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-3H"	-3.021828
"12700"	483.311624	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M-2H"	-2.014552
"447887"	725.471074	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M-2H"	-2.014552
"822409"	241.152174	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-2H"	-2.014552
"94076"	967.630524	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M-H"	-1.007276
"532658"	1451.949424	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M-H"	-1.007276
"908881"	483.311624	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-H"	-1.007276
"61555"	984.657071	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M-2H+NH4"	16.019271
"501237"	1468.975971	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M-2H+NH4"	16.019271
"874786"	500.338171	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-2H+NH4"	16.019271
"44874"	989.612466	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M-2H+Na"	20.974666
"475685"	1473.931366	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M-2H+Na"	20.974666
"859681"	505.293566	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-2H+Na"	20.974666
"1627393"	505.293566	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Na-2H"	20.974666
"96267"	501.299963	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M-H+Cl"	33.962126
"538012"	743.459413	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M-H+Cl"	33.962126
"929343"	259.140513	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-H+Cl"	33.962126
"271182"	1003.607202	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+Cl"	34.969402
"663604"	1487.926102	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+Cl"	34.969402
"1279289"	519.288302	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Cl"	34.969402
"28409"	1005.586406	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M-2H+K"	36.948606
"467969"	1489.905306	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M-2H+K"	36.948606
"839208"	521.267506	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-2H+K"	36.948606
"1561601"	521.267506	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+K-2H"	36.948606
"946204"	529.317094	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-H+HCOOH"	44.998194
"368796"	1013.636001	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+HCOOH-H"	44.998201
"353775"	1027.651651	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+Hac-H"	59.013851
"1500423"	543.332751	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Hac-H"	59.013851
"965778"	551.299051	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-H+NaCOOH"	66.980151
"114684"	519.288302	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+2Cl"	69.938804
"553150"	761.447752	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+2Cl"	69.938804
"1026325"	277.128852	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2Cl"	69.938804
"1245903"	563.237785	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Br"	78.918885
"1312725"	565.293772	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Cl+HCOOH"	80.974872
"1328034"	587.275729	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Cl+NaCOOH"	102.956829
"913625"	597.304486	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M-H+CF3COOH"	112.985586
"1291788"	633.281164	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Cl+CF3COOH"	148.962264
"1370315"	449.306224	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H-2H2O"	-35.012676
"1385261"	467.3162	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H-H2O"	-17.0027
"291148"	969.645076	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+H"	1.007276
"678102"	1453.963976	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+H"	1.007276
"1355545"	485.326176	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H"	1.007276
"131715"	485.326176	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+2H"	2.014552
"569090"	727.485626	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+2H"	2.014552
"1041168"	243.166726	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2H"	2.014552
"207249"	323.886542666667	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+3H"	3.021828
"644495"	485.326176	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+3H"	3.021828
"1167123"	162.446909333333	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+3H"	3.021828
"434408"	986.671623	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+NH4"	18.033823
"796501"	1470.990523	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+NH4"	18.033823
"1691740"	502.352723	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+NH4"	18.033823
"341112"	493.8394495	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+H+NH4"	19.041099
"730252"	735.9988995	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+H+NH4"	19.041099
"1484070"	251.6799995	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H+NH4"	19.041099
"404938"	991.627018	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+Na"	22.989218
"762652"	1475.945918	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+Na"	22.989218
"1614031"	507.308118	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Na"	22.989218
"320787"	496.317147	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+H+Na"	23.996494
"719772"	738.476597	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+H+Na"	23.996494
"1471403"	254.157697	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H+Na"	23.996494
"1059182"	169.774223333333	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2H+Na"	25.00377
"1265237"	517.352386	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+CH3OH+H"	33.033486
"389282"	1007.600958	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+K"	38.963158
"746997"	1491.919858	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+K"	38.963158
"1550144"	523.282058	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+K"	38.963158
"310599"	504.304117	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+H+K"	39.970434
"697553"	746.463567	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+H+K"	39.970434
"1448095"	262.144667	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H+K"	39.970434
"241071"	1010.671626	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+ACN+H"	42.033826
"1215238"	526.352726	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+ACN+H"	42.033826
"1208852"	263.680001	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+ACN+2H"	43.041102
"202578"	1013.60896	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+2Na-H"	44.97116
"642379"	1497.92786	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+2Na-H"	44.97116
"1146495"	529.29006	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2Na-H"	44.97116
"187720"	507.308118	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+2Na"	45.978436
"627766"	749.467568	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+2Na"	45.978436
"1130298"	265.148668	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2Na"	45.978436
"1414066"	177.101537333333	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H+2Na"	46.985712
"1443258"	531.331646	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H+HCOOH"	47.012746
"231860"	512.34114	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+3H2O+2H"	56.04448
"1521748"	545.38369	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+IsoProp+H"	61.06479
"423380"	515.295088	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+Na+K"	61.952376
"783883"	757.454538	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+Na+K"	61.952376
"1673663"	273.135638	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Na+K"	61.952376
"263462"	1032.653568	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+ACN+Na"	64.015768
"1233983"	548.334668	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+ACN+Na"	64.015768
"1722867"	548.358193	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+NH4+HCOOH"	64.039293
"1186398"	184.428851333333	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+3Na"	68.967654
"1657384"	553.313588	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Na+HCOOH"	68.994688
"159142"	1045.55684	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+2K-H"	76.91904
"600159"	1529.87574	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+2K-H"	76.91904
"1084385"	561.23794	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2K-H"	76.91904
"142944"	523.282058	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"2M+2K"	77.926316
"584327"	765.441508	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"3M+2K"	77.926316
"1075400"	281.122608	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2K"	77.926316
"1104232"	563.252492	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2K+H"	78.933592
"1338444"	563.340107	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+DMSO+H"	79.021207
"1011348"	567.379276	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2ACN+H"	83.060376
"1529473"	568.372908	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+IsoProp+Na+H"	84.054008
"994827"	284.193276	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+2ACN+2H"	84.067652
"1602214"	569.287528	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+K+HCOOH"	84.968628
"1421555"	599.319038	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+H+CF3COOH"	115.000138
"1158403"	304.706551	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+3ACN+2H"	125.094202
"1698840"	616.345585	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+NH4+CF3COOH"	132.026685
"1646890"	621.30098	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+Na+CF3COOH"	136.98208
"1581447"	637.27492	"C08971"	"Propapyriogenin A2"	"C30H44O5"	"484.3189"	"M+K+CF3COOH"	152.95602
"805252"	486.3345	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M"	0
"978784"	467.31611	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-H2O-H"	-19.01839
"69213"	323.215724	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M-3H"	-3.021828
"508779"	485.327224	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M-3H"	-3.021828
"883300"	161.104224	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-3H"	-3.021828
"7342"	485.327224	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M-2H"	-2.014552
"447996"	728.494474	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M-2H"	-2.014552
"819966"	242.159974	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-2H"	-2.014552
"91869"	971.661724	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M-H"	-1.007276
"530456"	1457.996224	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M-H"	-1.007276
"908991"	485.327224	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-H"	-1.007276
"60814"	988.688271	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M-2H+NH4"	16.019271
"501226"	1475.022771	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M-2H+NH4"	16.019271
"875989"	502.353771	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-2H+NH4"	16.019271
"43891"	993.643666	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M-2H+Na"	20.974666
"477982"	1479.978166	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M-2H+Na"	20.974666
"861978"	507.309166	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-2H+Na"	20.974666
"1628596"	507.309166	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Na-2H"	20.974666
"96377"	503.315563	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M-H+Cl"	33.962126
"535204"	746.482813	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M-H+Cl"	33.962126
"929453"	260.148313	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-H+Cl"	33.962126
"273478"	1007.638402	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+Cl"	34.969402
"663714"	1493.972902	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+Cl"	34.969402
"1279399"	521.303902	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Cl"	34.969402
"27426"	1009.617606	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M-2H+K"	36.948606
"462612"	1495.952106	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M-2H+K"	36.948606
"835303"	523.283106	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-2H+K"	36.948606
"1561707"	523.283106	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+K-2H"	36.948606
"944852"	531.332694	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-H+HCOOH"	44.998194
"364890"	1017.667201	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+HCOOH-H"	44.998201
"348774"	1031.682851	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+Hac-H"	59.013851
"1499437"	545.348351	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Hac-H"	59.013851
"964790"	553.314651	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-H+NaCOOH"	66.980151
"111634"	521.303902	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+2Cl"	69.938804
"552167"	764.471152	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+2Cl"	69.938804
"1022183"	278.136652	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2Cl"	69.938804
"1242733"	565.253385	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Br"	78.918885
"1309555"	567.309372	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Cl+HCOOH"	80.974872
"1325957"	589.291329	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Cl+NaCOOH"	102.956829
"914099"	599.320086	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M-H+CF3COOH"	112.985586
"1290075"	635.296764	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Cl+CF3COOH"	148.962264
"1368967"	451.321824	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H-2H2O"	-35.012676
"1384641"	469.3318	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H-H2O"	-17.0027
"289071"	973.676276	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+H"	1.007276
"679305"	1460.010776	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+H"	1.007276
"1355656"	487.341776	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H"	1.007276
"127451"	487.341776	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+2H"	2.014552
"568106"	730.509026	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+2H"	2.014552
"1041278"	244.174526	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2H"	2.014552
"207359"	325.230276	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+3H"	3.021828
"644241"	487.341776	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+3H"	3.021828
"1166869"	163.118776	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+3H"	3.021828
"435611"	990.702823	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+NH4"	18.033823
"797705"	1477.037323	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+NH4"	18.033823
"1691850"	504.368323	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+NH4"	18.033823
"341222"	495.8550495	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+H+NH4"	19.041099
"730362"	739.0222995	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+H+NH4"	19.041099
"1484180"	252.6877995	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H+NH4"	19.041099
"405048"	995.658218	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+Na"	22.989218
"762762"	1481.992718	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+Na"	22.989218
"1611954"	509.323718	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Na"	22.989218
"320897"	498.332747	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+H+Na"	23.996494
"714413"	741.499997	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+H+Na"	23.996494
"1469326"	255.165497	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H+Na"	23.996494
"1059292"	170.44609	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2H+Na"	25.00377
"1260243"	519.367986	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+CH3OH+H"	33.033486
"385017"	1011.632158	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+K"	38.963158
"746013"	1497.966658	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+K"	38.963158
"1549159"	525.297658	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+K"	38.963158
"303055"	506.319717	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+H+K"	39.970434
"694383"	749.486967	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+H+K"	39.970434
"1449295"	263.152467	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H+K"	39.970434
"241181"	1014.702826	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+ACN+H"	42.033826
"1213889"	528.368326	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+ACN+H"	42.033826
"1209087"	264.687801	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+ACN+2H"	43.041102
"203166"	1017.64016	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+2Na-H"	44.97116
"643706"	1503.97466	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+2Na-H"	44.97116
"1146528"	531.30566	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2Na-H"	44.97116
"187830"	509.323718	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+2Na"	45.978436
"627758"	752.490968	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+2Na"	45.978436
"1130281"	266.156468	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2Na"	45.978436
"1413853"	177.773404	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H+2Na"	46.985712
"1443368"	533.347246	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H+HCOOH"	47.012746
"230877"	514.35674	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+3H2O+2H"	56.04448
"1523318"	547.39929	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+IsoProp+H"	61.06479
"423245"	517.310688	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+Na+K"	61.952376
"782901"	760.477938	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+Na+K"	61.952376
"1672679"	274.143438	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Na+K"	61.952376
"262478"	1036.684768	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+ACN+Na"	64.015768
"1232999"	550.350268	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+ACN+Na"	64.015768
"1721886"	550.373793	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+NH4+HCOOH"	64.039293
"1186508"	185.100718	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+3Na"	68.967654
"1651297"	555.329188	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Na+HCOOH"	68.994688
"158887"	1049.58804	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+2K-H"	76.91904
"602455"	1535.92254	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+2K-H"	76.91904
"1084902"	563.25354	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2K-H"	76.91904
"144875"	525.297658	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"2M+2K"	77.926316
"592090"	768.464908	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"3M+2K"	77.926316
"1077694"	282.130408	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2K"	77.926316
"1104342"	565.268092	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2K+H"	78.933592
"1337217"	565.355707	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+DMSO+H"	79.021207
"1010365"	569.394876	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2ACN+H"	83.060376
"1529583"	570.388508	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+IsoProp+Na+H"	84.054008
"992751"	285.201076	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+2ACN+2H"	84.067652
"1599287"	571.303128	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+K+HCOOH"	84.968628
"1421665"	601.334638	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+H+CF3COOH"	115.000138
"1157420"	305.714351	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+3ACN+2H"	125.094202
"1697857"	618.361185	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+NH4+CF3COOH"	132.026685
"1647000"	623.31658	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+Na+CF3COOH"	136.98208
"1581557"	639.29052	"C08972"	"Quillaic acid"	"C30H46O5"	"486.3345"	"M+K+CF3COOH"	152.95602
"815205"	1183.5206	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M"	0
"981083"	1164.50221	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-H2O-H"	-19.01839
"64950"	788.006457333333	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M-3H"	-3.021828
"517276"	1182.513324	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M-3H"	-3.021828
"895288"	393.499590666667	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-3H"	-3.021828
"14746"	1182.513324	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M-2H"	-2.014552
"451389"	1774.273624	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M-2H"	-2.014552
"831910"	590.753024	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-2H"	-2.014552
"93811"	2366.033924	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M-H"	-1.007276
"533369"	3549.554524	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M-H"	-1.007276
"909955"	1182.513324	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-H"	-1.007276
"56550"	2383.060471	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M-2H+NH4"	16.019271
"498297"	3566.581071	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M-2H+NH4"	16.019271
"875006"	1199.539871	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-2H+NH4"	16.019271
"44001"	2388.015866	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M-2H+Na"	20.974666
"481374"	3571.536466	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M-2H+Na"	20.974666
"860269"	1204.495266	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-2H+Na"	20.974666
"1630530"	1204.495266	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Na-2H"	20.974666
"99768"	1200.501663	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M-H+Cl"	33.962126
"539331"	1792.261963	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M-H+Cl"	33.962126
"928835"	608.741363	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-H+Cl"	33.962126
"271402"	2402.010602	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+Cl"	34.969402
"667109"	3585.531202	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+Cl"	34.969402
"1280606"	1218.490002	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Cl"	34.969402
"25350"	2403.989806	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M-2H+K"	36.948606
"464910"	3587.510406	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M-2H+K"	36.948606
"836148"	1220.469206	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-2H+K"	36.948606
"1560729"	1220.469206	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+K-2H"	36.948606
"944601"	1228.518794	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-H+HCOOH"	44.998194
"364641"	2412.039401	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+HCOOH-H"	44.998201
"353993"	2426.055051	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+Hac-H"	59.013851
"1495175"	1242.534451	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Hac-H"	59.013851
"964904"	1250.500751	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-H+NaCOOH"	66.980151
"115998"	1218.490002	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+2Cl"	69.938804
"555557"	1810.250302	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+2Cl"	69.938804
"1023266"	626.729702	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2Cl"	69.938804
"1242843"	1262.439485	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Br"	78.918885
"1311853"	1264.495472	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Cl+HCOOH"	80.974872
"1328255"	1286.477429	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Cl+NaCOOH"	102.956829
"916035"	1296.506186	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M-H+CF3COOH"	112.985586
"1293837"	1332.482864	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Cl+CF3COOH"	148.962264
"1376372"	1148.507924	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H-2H2O"	-35.012676
"1390587"	1166.5179	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H-H2O"	-17.0027
"293556"	2368.048476	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+H"	1.007276
"679418"	3551.569076	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+H"	1.007276
"1356861"	1184.527876	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H"	1.007276
"127561"	1184.527876	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+2H"	2.014552
"569309"	1776.288176	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+2H"	2.014552
"1038471"	592.767576	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2H"	2.014552
"212575"	790.021009333333	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+3H"	3.021828
"648854"	1184.527876	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+3H"	3.021828
"1171355"	395.514142666667	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+3H"	3.021828
"438644"	2385.075023	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+NH4"	18.033823
"797817"	3568.595623	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+NH4"	18.033823
"1693054"	1201.554423	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+NH4"	18.033823
"339145"	1193.0411495	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+H+NH4"	19.041099
"733754"	1784.8014495	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+H+NH4"	19.041099
"1487575"	601.2808495	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H+NH4"	19.041099
"401879"	2390.030418	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+Na"	22.989218
"762873"	3573.551018	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+Na"	22.989218
"1608786"	1206.509818	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Na"	22.989218
"324290"	1195.518847	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+H+Na"	23.996494
"714526"	1787.279147	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+H+Na"	23.996494
"1470532"	603.758547	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H+Na"	23.996494
"1064868"	402.841456666667	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2H+Na"	25.00377
"1261079"	1216.554086	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+CH3OH+H"	33.033486
"378930"	2406.004358	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+K"	38.963158
"738786"	3589.524958	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+K"	38.963158
"1540150"	1222.483758	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+K"	38.963158
"298600"	1203.505817	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+H+K"	39.970434
"692908"	1795.266117	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+H+K"	39.970434
"1446490"	611.745517	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H+K"	39.970434
"235755"	2409.075026	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+ACN+H"	42.033826
"1213999"	1225.554426	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+ACN+H"	42.033826
"1198977"	613.280851	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+ACN+2H"	43.041102
"197320"	2412.01236	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+2Na-H"	44.97116
"643778"	3595.53296	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+2Na-H"	44.97116
"1146467"	1228.49176	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2Na-H"	44.97116
"187946"	1206.509818	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+2Na"	45.978436
"627871"	1798.270118	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+2Na"	45.978436
"1130759"	614.749518	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2Na"	45.978436
"1413927"	410.168770666667	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H+2Na"	46.985712
"1444574"	1230.533346	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H+HCOOH"	47.012746
"233175"	1211.54284	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+3H2O+2H"	56.04448
"1521602"	1244.58539	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+IsoProp+H"	61.06479
"421652"	1214.496788	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+Na+K"	61.952376
"785201"	1806.257088	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+Na+K"	61.952376
"1673883"	622.736488	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Na+K"	61.952376
"261496"	2431.056968	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+ACN+Na"	64.015768
"1233109"	1247.536368	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+ACN+Na"	64.015768
"1721994"	1247.559893	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+NH4+HCOOH"	64.039293
"1184796"	417.496084666667	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+3Na"	68.967654
"1658335"	1252.515288	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Na+HCOOH"	68.994688
"162643"	2443.96024	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+2K-H"	76.91904
"600016"	3627.48084	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+2K-H"	76.91904
"1088171"	1260.43964	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2K-H"	76.91904
"143894"	1222.483758	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"2M+2K"	77.926316
"584548"	1814.244058	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"3M+2K"	77.926316
"1073434"	630.723458	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2K"	77.926316
"1103726"	1262.454192	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2K+H"	78.933592
"1349481"	1262.541807	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+DMSO+H"	79.021207
"1016674"	1266.580976	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2ACN+H"	83.060376
"1532975"	1267.574608	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+IsoProp+Na+H"	84.054008
"992861"	633.794126	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+2ACN+2H"	84.067652
"1596116"	1268.489228	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+K+HCOOH"	84.968628
"1421774"	1298.520738	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+H+CF3COOH"	115.000138
"1155343"	654.307401	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+3ACN+2H"	125.094202
"1700519"	1315.547285	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+NH4+CF3COOH"	132.026685
"1647110"	1320.50268	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+Na+CF3COOH"	136.98208
"1581667"	1336.47662	"C08973"	"Rotundioside B"	"C54H87O26S"	"1183.5206"	"M+K+CF3COOH"	152.95602
"802920"	286.0841	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M"	0
"982286"	267.06571	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"66154"	189.715457333333	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"517749"	285.076824	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"895392"	94.3540906666667	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"15060"	285.076824	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"451135"	428.118874	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"832098"	142.034774	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"94119"	571.160924	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"533805"	857.245024	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"911245"	285.076824	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"61765"	588.187471	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"500962"	874.271571	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"879128"	302.103371	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"43018"	593.142866	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"480391"	879.226966	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"860379"	307.058766	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1629547"	307.058766	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"100972"	303.065163	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"539441"	446.107213	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"927850"	160.023113	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"271512"	607.137602	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"667218"	893.221702	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1281807"	321.053502	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"27644"	609.116806	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"467204"	895.200906	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"836258"	323.032706	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1557559"	323.032706	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"944466"	331.082294	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"363657"	617.166401	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"353008"	631.182051	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1496375"	345.097951	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"965014"	353.064251	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"113922"	321.053502	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"554574"	464.095552	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1025562"	178.011452	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1245139"	365.002985	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1308683"	367.058972	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1322898"	389.040929	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"917238"	399.069686	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1293947"	435.046364	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1368098"	251.071424	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1390697"	269.0814	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"293666"	573.175476	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"680622"	859.259576	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1356971"	287.091376	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"127670"	287.091376	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"568324"	430.133426	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1039309"	144.049326	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"208311"	191.730009333333	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"650059"	287.091376	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1171465"	96.3686426666667	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"438749"	590.202023	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"795740"	876.286123	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1690977"	304.117923	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"341442"	295.6046495	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"735687"	438.6466995	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1486591"	152.5625995	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"403081"	595.157418	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"762983"	881.241518	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1607803"	309.073318	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"323307"	298.082347	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"716822"	441.124397	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1469549"	155.040297	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1061699"	103.695956666667	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1259367"	319.117586	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"380863"	611.131358	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"740034"	897.215458	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1539891"	325.047258	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"298732"	306.069317	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"691471"	449.111367	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1446233"	163.027267	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"236660"	614.202026	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1211071"	328.117926	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1199087"	164.562601	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"196336"	617.13936	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"635895"	903.22346	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1146861"	331.05526	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"187798"	309.073318	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"628312"	452.115368	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1131326"	166.031268	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1414034"	111.023270666667	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1445444"	333.096846	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"233649"	314.10634	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1523778"	347.14889	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"422125"	317.060288	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"785384"	460.102338	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1677273"	174.018238	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"262700"	636.183968	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1233219"	350.099868	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1721011"	350.123393	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1183448"	118.350584666667	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1658445"	355.078788	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"160566"	649.08724	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"600126"	935.17134	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1087186"	363.00314	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"145824"	325.047258	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"583929"	468.089308	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1073906"	182.005208	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1106751"	365.017692	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1337668"	365.105307	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1018243"	369.144476	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1529805"	370.138108	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"990901"	185.075876	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1596227"	371.052728	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1424072"	401.084238	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1157640"	205.589151	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1700630"	418.110785	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1647220"	423.06618	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1581777"	439.04012	"C08974"	"Sainfuran"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"802302"	780.466	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M"	0
"981303"	761.44761	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-H2O-H"	-19.01839
"67357"	519.303390666667	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M-3H"	-3.021828
"516401"	779.458724	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M-3H"	-3.021828
"894691"	259.148057333333	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-3H"	-3.021828
"14969"	779.458724	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M-2H"	-2.014552
"451245"	1169.691724	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M-2H"	-2.014552
"832644"	389.225724	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-2H"	-2.014552
"94192"	1559.924724	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M-H"	-1.007276
"533585"	2340.390724	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M-H"	-1.007276
"910661"	779.458724	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-H"	-1.007276
"61511"	1576.951271	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M-2H+NH4"	16.019271
"501193"	2357.417271	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M-2H+NH4"	16.019271
"876321"	796.485271	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-2H+NH4"	16.019271
"44221"	1581.906666	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M-2H+Na"	20.974666
"480501"	2362.372666	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M-2H+Na"	20.974666
"860489"	801.440666	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-2H+Na"	20.974666
"1628927"	801.440666	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Na-2H"	20.974666
"99988"	797.447063	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M-H+Cl"	33.962126
"539551"	1187.680063	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M-H+Cl"	33.962126
"927719"	407.214063	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-H+Cl"	33.962126
"270529"	1595.901402	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+Cl"	34.969402
"667328"	2376.367402	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+Cl"	34.969402
"1277545"	815.435402	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Cl"	34.969402
"25567"	1597.880606	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M-2H+K"	36.948606
"467314"	2378.346606	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M-2H+K"	36.948606
"836368"	817.414606	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-2H+K"	36.948606
"1556451"	817.414606	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+K-2H"	36.948606
"943727"	825.464194	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-H+HCOOH"	44.998194
"363767"	1605.930201	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+HCOOH-H"	44.998201
"350932"	1619.945851	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+Hac-H"	59.013851
"1494299"	839.479851	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Hac-H"	59.013851
"965124"	847.446151	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-H+NaCOOH"	66.980151
"114032"	815.435402	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+2Cl"	69.938804
"552497"	1205.668402	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+2Cl"	69.938804
"1024579"	425.202402	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2Cl"	69.938804
"1244156"	859.384885	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Br"	78.918885
"1308793"	861.440872	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Cl+HCOOH"	80.974872
"1321913"	883.422829	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Cl+NaCOOH"	102.956829
"917348"	893.451586	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M-H+CF3COOH"	112.985586
"1294057"	929.428264	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Cl+CF3COOH"	148.962264
"1368208"	745.453324	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H-2H2O"	-35.012676
"1389714"	763.4633	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H-H2O"	-17.0027
"290496"	1561.939276	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+H"	1.007276
"680732"	2342.405276	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+H"	1.007276
"1355987"	781.473276	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H"	1.007276
"125824"	781.473276	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+2H"	2.014552
"566975"	1171.706276	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+2H"	2.014552
"1037598"	391.240276	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2H"	2.014552
"204439"	521.317942666667	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+3H"	3.021828
"644235"	781.473276	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+3H"	3.021828
"1169389"	261.162609333333	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+3H"	3.021828
"432661"	1578.965823	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+NH4"	18.033823
"795850"	2359.431823	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+NH4"	18.033823
"1691087"	798.499823	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+NH4"	18.033823
"340459"	789.9865495	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+H+NH4"	19.041099
"733974"	1180.2195495	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+H+NH4"	19.041099
"1486701"	399.7535495	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H+NH4"	19.041099
"401004"	1583.921218	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+Na"	22.989218
"763093"	2364.387218	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+Na"	22.989218
"1612287"	803.455218	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Na"	22.989218
"327062"	792.464247	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+H+Na"	23.996494
"718025"	1182.697247	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+H+Na"	23.996494
"1471846"	402.231247	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H+Na"	23.996494
"1064726"	268.489923333333	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2H+Na"	25.00377
"1262394"	813.499486	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+CH3OH+H"	33.033486
"382066"	1599.895158	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+K"	38.963158
"740509"	2380.361158	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+K"	38.963158
"1539914"	819.429158	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+K"	38.963158
"298632"	800.451217	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+H+K"	39.970434
"691501"	1190.684217	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+H+K"	39.970434
"1445706"	410.218217	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H+K"	39.970434
"236406"	1602.965826	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+ACN+H"	42.033826
"1211181"	822.499826	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+ACN+H"	42.033826
"1200290"	411.753551	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+ACN+2H"	43.041102
"194258"	1605.90316	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+2Na-H"	44.97116
"632725"	2386.36916	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+2Na-H"	44.97116
"1142065"	825.43716	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2Na-H"	44.97116
"187908"	803.455218	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+2Na"	45.978436
"628199"	1193.688218	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+2Na"	45.978436
"1130245"	413.222218	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2Na"	45.978436
"1414062"	275.817237333333	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H+2Na"	46.985712
"1445574"	827.478746	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H+HCOOH"	47.012746
"230115"	808.48824	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+3H2O+2H"	56.04448
"1522914"	841.53079	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+IsoProp+H"	61.06479
"422234"	811.442188	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+Na+K"	61.952376
"784692"	1201.675188	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+Na+K"	61.952376
"1677383"	421.209188	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Na+K"	61.952376
"262810"	1624.947768	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+ACN+Na"	64.015768
"1233329"	844.481768	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+ACN+Na"	64.015768
"1721121"	844.505293	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+NH4+HCOOH"	64.039293
"1183558"	283.144551333333	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+3Na"	68.967654
"1658555"	849.460688	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Na+HCOOH"	68.994688
"160676"	1637.85104	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+2K-H"	76.91904
"600236"	2418.31704	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+2K-H"	76.91904
"1085595"	857.38504	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2K-H"	76.91904
"143867"	819.429158	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"2M+2K"	77.926316
"584766"	1209.662158	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"3M+2K"	77.926316
"1069521"	429.196158	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2K"	77.926316
"1101758"	859.399592	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2K+H"	78.933592
"1336929"	859.487207	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+DMSO+H"	79.021207
"1018353"	863.526376	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2ACN+H"	83.060376
"1533195"	864.520008	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+IsoProp+Na+H"	84.054008
"995267"	432.266826	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+2ACN+2H"	84.067652
"1597430"	865.434628	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+K+HCOOH"	84.968628
"1421995"	895.466138	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+H+CF3COOH"	115.000138
"1150095"	452.780101	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+3ACN+2H"	125.094202
"1698188"	912.492685	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+NH4+CF3COOH"	132.026685
"1647330"	917.44808	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+Na+CF3COOH"	136.98208
"1581887"	933.42202	"C08975"	"Saikosaponin A"	"C42H68O13"	"780.466"	"M+K+CF3COOH"	152.95602
"814440"	926.5239	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M"	0
"985787"	907.50551	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-H2O-H"	-19.01839
"77188"	616.675324	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M-3H"	-3.021828
"517240"	925.516624	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M-3H"	-3.021828
"894684"	307.834024	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-3H"	-3.021828
"13982"	925.516624	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M-2H"	-2.014552
"451719"	1388.778574	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M-2H"	-2.014552
"832323"	462.254674	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-2H"	-2.014552
"93659"	1852.040524	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M-H"	-1.007276
"532845"	2778.564424	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M-H"	-1.007276
"910165"	925.516624	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-H"	-1.007276
"57976"	1869.067071	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M-2H+NH4"	16.019271
"501668"	2795.590971	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M-2H+NH4"	16.019271
"876797"	942.543171	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-2H+NH4"	16.019271
"44210"	1874.022466	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M-2H+Na"	20.974666
"479520"	2800.546366	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M-2H+Na"	20.974666
"860598"	947.498566	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-2H+Na"	20.974666
"1631954"	947.498566	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Na-2H"	20.974666
"106658"	943.504963	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M-H+Cl"	33.962126
"540753"	1406.766913	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M-H+Cl"	33.962126
"932083"	480.243013	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-H+Cl"	33.962126
"273921"	1888.017202	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+Cl"	34.969402
"666345"	2814.541102	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+Cl"	34.969402
"1283122"	961.493302	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Cl"	34.969402
"26771"	1889.996406	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M-2H+K"	36.948606
"467425"	2816.520306	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M-2H+K"	36.948606
"841947"	963.472506	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-2H+K"	36.948606
"1561060"	963.472506	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+K-2H"	36.948606
"945665"	971.522094	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-H+HCOOH"	44.998194
"367160"	1898.046001	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+HCOOH-H"	44.998201
"351047"	1912.061651	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+Hac-H"	59.013851
"1497689"	985.537751	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Hac-H"	59.013851
"967421"	993.504051	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-H+NaCOOH"	66.980151
"116330"	961.493302	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+2Cl"	69.938804
"560262"	1424.755252	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+2Cl"	69.938804
"1030157"	498.231352	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2Cl"	69.938804
"1247548"	1005.442785	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Br"	78.918885
"1311091"	1007.498772	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Cl+HCOOH"	80.974872
"1333932"	1029.480729	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Cl+NaCOOH"	102.956829
"922926"	1039.509486	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M-H+CF3COOH"	112.985586
"1297447"	1075.486164	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Cl+CF3COOH"	148.962264
"1370141"	891.511224	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H-2H2O"	-35.012676
"1393105"	909.5212	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H-H2O"	-17.0027
"293886"	1854.055076	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+H"	1.007276
"680842"	2780.578976	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+H"	1.007276
"1360470"	927.531176	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H"	1.007276
"128254"	927.531176	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+2H"	2.014552
"568908"	1390.793126	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+2H"	2.014552
"1038069"	464.269226	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2H"	2.014552
"204998"	618.689876	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+3H"	3.021828
"646626"	927.531176	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+3H"	3.021828
"1171685"	309.848576	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+3H"	3.021828
"428396"	1871.081623	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+NH4"	18.033823
"801064"	2797.605523	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+NH4"	18.033823
"1696747"	944.557723	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+NH4"	18.033823
"344823"	936.0444495	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+H+NH4"	19.041099
"736883"	1399.3063995	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+H+NH4"	19.041099
"1486810"	472.7824995	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H+NH4"	19.041099
"403303"	1876.037018	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+Na"	22.989218
"763202"	2802.560918	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+Na"	22.989218
"1616775"	949.513118	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Na"	22.989218
"328631"	938.522147	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+H+Na"	23.996494
"719240"	1401.784097	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+H+Na"	23.996494
"1474515"	475.260197	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H+Na"	23.996494
"1067875"	317.17589	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2H+Na"	25.00377
"1265784"	959.557386	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+CH3OH+H"	33.033486
"383270"	1892.010958	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+K"	38.963158
"744265"	2818.534858	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+K"	38.963158
"1544131"	965.487058	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+K"	38.963158
"299117"	946.509117	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+H+K"	39.970434
"698102"	1409.771067	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+H+K"	39.970434
"1446573"	483.247167	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H+K"	39.970434
"239798"	1895.081626	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+ACN+H"	42.033826
"1213237"	968.557726	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+ACN+H"	42.033826
"1203682"	484.782501	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+ACN+2H"	43.041102
"191815"	1898.01896	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+2Na-H"	44.97116
"632468"	2824.54286	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+2Na-H"	44.97116
"1145335"	971.49506	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2Na-H"	44.97116
"184006"	949.513118	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+2Na"	45.978436
"628030"	1412.775068	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+2Na"	45.978436
"1127803"	486.251168	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2Na"	45.978436
"1412426"	324.503204	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H+2Na"	46.985712
"1443813"	973.536646	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H+HCOOH"	47.012746
"232050"	954.54614	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+3H2O+2H"	56.04448
"1521209"	987.58869	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+IsoProp+H"	61.06479
"421986"	957.500088	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+Na+K"	61.952376
"784076"	1420.762038	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+Na+K"	61.952376
"1678217"	494.238138	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Na+K"	61.952376
"260733"	1917.063568	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+ACN+Na"	64.015768
"1232346"	990.539668	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+ACN+Na"	64.015768
"1715762"	990.563193	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+NH4+HCOOH"	64.039293
"1182573"	331.830518	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+3Na"	68.967654
"1653926"	995.518588	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Na+HCOOH"	68.994688
"160786"	1929.96684	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+2K-H"	76.91904
"599983"	2856.49074	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+2K-H"	76.91904
"1086682"	1003.44294	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2K-H"	76.91904
"149694"	965.487058	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"2M+2K"	77.926316
"584880"	1428.749008	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"3M+2K"	77.926316
"1069754"	502.225108	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2K"	77.926316
"1101623"	1005.457492	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2K+H"	78.933592
"1336066"	1005.545107	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+DMSO+H"	79.021207
"1005933"	1009.584276	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2ACN+H"	83.060376
"1525276"	1010.577908	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+IsoProp+Na+H"	84.054008
"991240"	505.295776	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+2ACN+2H"	84.067652
"1592064"	1011.492528	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+K+HCOOH"	84.968628
"1424294"	1041.524038	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+H+CF3COOH"	115.000138
"1152393"	525.809051	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+3ACN+2H"	125.094202
"1699757"	1058.550585	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+NH4+CF3COOH"	132.026685
"1648534"	1063.50598	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+Na+CF3COOH"	136.98208
"1581997"	1079.47992	"C08976"	"Saikosaponin BK1"	"C48H78O17"	"926.5239"	"M+K+CF3COOH"	152.95602
"809083"	1966.8307	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M"	0
"984804"	1947.81231	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-H2O-H"	-19.01839
"70859"	1310.21319066667	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M-3H"	-3.021828
"513703"	1965.823424	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M-3H"	-3.021828
"894549"	654.602957333333	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-3H"	-3.021828
"14456"	1965.823424	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M-2H"	-2.014552
"454750"	2949.238774	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M-2H"	-2.014552
"831946"	982.408074	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-2H"	-2.014552
"92671"	3932.654124	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M-H"	-1.007276
"533935"	5899.484824	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M-H"	-1.007276
"908815"	1965.823424	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-H"	-1.007276
"61495"	3949.680671	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M-2H+NH4"	16.019271
"500807"	5916.511371	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M-2H+NH4"	16.019271
"877516"	1982.849971	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-2H+NH4"	16.019271
"44807"	3954.636066	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M-2H+Na"	20.974666
"479630"	5921.466766	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M-2H+Na"	20.974666
"859616"	1987.805366	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-2H+Na"	20.974666
"1630974"	1987.805366	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Na-2H"	20.974666
"107861"	1983.811763	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M-H+Cl"	33.962126
"541956"	2967.227113	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M-H+Cl"	33.962126
"933285"	1000.396413	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-H+Cl"	33.962126
"276218"	3968.630802	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+Cl"	34.969402
"663533"	5935.461502	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+Cl"	34.969402
"1283230"	2001.800102	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Cl"	34.969402
"25788"	3970.610006	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M-2H+K"	36.948606
"464254"	5937.440706	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M-2H+K"	36.948606
"834404"	2003.779306	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-2H+K"	36.948606
"1562265"	2003.779306	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+K-2H"	36.948606
"947962"	2011.828894	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-H+HCOOH"	44.998194
"366178"	3978.659601	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+HCOOH-H"	44.998201
"352251"	3992.675251	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+Hac-H"	59.013851
"1496706"	2025.844551	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Hac-H"	59.013851
"967532"	2033.810851	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-H+NaCOOH"	66.980151
"119720"	2001.800102	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+2Cl"	69.938804
"561465"	2985.215452	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+2Cl"	69.938804
"1030267"	1018.384752	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2Cl"	69.938804
"1247658"	2045.749585	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Br"	78.918885
"1311201"	2047.805572	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Cl+HCOOH"	80.974872
"1334042"	2069.787529	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Cl+NaCOOH"	102.956829
"923036"	2079.816286	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M-H+CF3COOH"	112.985586
"1294641"	2115.792964	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Cl+CF3COOH"	148.962264
"1370615"	1931.818024	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H-2H2O"	-35.012676
"1393215"	1949.828	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H-H2O"	-17.0027
"290716"	3934.668676	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+H"	1.007276
"680952"	5901.499376	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+H"	1.007276
"1360580"	1967.837976	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H"	1.007276
"127635"	1967.837976	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+2H"	2.014552
"571935"	2951.253326	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+2H"	2.014552
"1040732"	984.422626	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2H"	2.014552
"206445"	1312.22774266667	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+3H"	3.021828
"645643"	1967.837976	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+3H"	3.021828
"1165961"	656.617509333333	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+3H"	3.021828
"428506"	3951.695223	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+NH4"	18.033823
"801012"	5918.525923	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+NH4"	18.033823
"1694587"	1984.864523	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+NH4"	18.033823
"343961"	1976.3512495	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+H+NH4"	19.041099
"735286"	2959.7665995	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+H+NH4"	19.041099
"1485826"	992.9358995	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H+NH4"	19.041099
"403413"	3956.650618	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+Na"	22.989218
"762220"	5923.481318	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+Na"	22.989218
"1612504"	1989.819918	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Na"	22.989218
"325824"	1978.828947	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+H+Na"	23.996494
"720924"	2962.244297	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+H+Na"	23.996494
"1475597"	995.413597	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H+Na"	23.996494
"1066773"	663.944823333333	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2H+Na"	25.00377
"1263708"	1999.864186	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+CH3OH+H"	33.033486
"382288"	3972.624558	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+K"	38.963158
"742189"	5939.455258	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+K"	38.963158
"1545335"	2005.793858	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+K"	38.963158
"301418"	1986.815917	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+H+K"	39.970434
"696025"	2970.231267	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+H+K"	39.970434
"1446805"	1003.400567	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H+K"	39.970434
"241731"	3975.695226	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+ACN+H"	42.033826
"1214440"	2008.864526	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+ACN+H"	42.033826
"1202699"	1004.935901	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+ACN+2H"	43.041102
"193384"	3978.63256	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+2Na-H"	44.97116
"636225"	5945.46326	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+2Na-H"	44.97116
"1144473"	2011.80186	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2Na-H"	44.97116
"187400"	1989.819918	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+2Na"	45.978436
"628065"	2973.235268	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+2Na"	45.978436
"1130101"	1006.404568	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2Na"	45.978436
"1413509"	671.272137333333	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H+2Na"	46.985712
"1444290"	2013.843446	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H+HCOOH"	47.012746
"232528"	1994.85294	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+3H2O+2H"	56.04448
"1523384"	2027.89549	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+IsoProp+H"	61.06479
"423922"	1997.806888	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+Na+K"	61.952376
"783093"	2981.222238	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+Na+K"	61.952376
"1678692"	1014.391538	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Na+K"	61.952376
"260479"	3997.677168	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+ACN+Na"	64.015768
"1233184"	2030.846468	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+ACN+Na"	64.015768
"1715872"	2030.869993	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+NH4+HCOOH"	64.039293
"1182684"	678.599451333333	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+3Na"	68.967654
"1652579"	2035.825388	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Na+HCOOH"	68.994688
"160896"	4010.58044	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+2K-H"	76.91904
"599362"	5977.41114	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+2K-H"	76.91904
"1086428"	2043.74974	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2K-H"	76.91904
"147618"	2005.793858	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"2M+2K"	77.926316
"587177"	2989.209208	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"3M+2K"	77.926316
"1071078"	1022.378508	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2K"	77.926316
"1101616"	2045.764292	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2K+H"	78.933592
"1338001"	2045.851907	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+DMSO+H"	79.021207
"1007625"	2049.891076	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2ACN+H"	83.060376
"1524533"	2050.884708	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+IsoProp+Na+H"	84.054008
"991227"	1025.449176	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+2ACN+2H"	84.067652
"1591078"	2051.799328	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+K+HCOOH"	84.968628
"1424404"	2081.830838	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+H+CF3COOH"	115.000138
"1155783"	1045.962451	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+3ACN+2H"	125.094202
"1699867"	2098.857385	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+NH4+CF3COOH"	132.026685
"1649373"	2103.81278	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+Na+CF3COOH"	136.98208
"1582107"	2119.78672	"C08977"	"Saponoside D"	"C87H138O49"	"1966.8307"	"M+K+CF3COOH"	152.95602
"812478"	1456.6511	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M"	0
"989292"	1437.63271	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-H2O-H"	-19.01839
"77424"	970.093457333333	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M-3H"	-3.021828
"516010"	1455.643824	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M-3H"	-3.021828
"893084"	484.543090666667	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-3H"	-3.021828
"9108"	1455.643824	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M-2H"	-2.014552
"447576"	2183.969374	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M-2H"	-2.014552
"828657"	727.318274	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-2H"	-2.014552
"91929"	2912.294924	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M-H"	-1.007276
"533923"	4368.946024	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M-H"	-1.007276
"910835"	1455.643824	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-H"	-1.007276
"61481"	2929.321471	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M-2H+NH4"	16.019271
"500553"	4385.972571	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M-2H+NH4"	16.019271
"878841"	1472.670371	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-2H+NH4"	16.019271
"46010"	2934.276866	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M-2H+Na"	20.974666
"478644"	4390.927966	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M-2H+Na"	20.974666
"855352"	1477.625766	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-2H+Na"	20.974666
"1623060"	1477.625766	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Na-2H"	20.974666
"98134"	1473.632163	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M-H+Cl"	33.962126
"536966"	2201.957713	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M-H+Cl"	33.962126
"932306"	745.306613	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-H+Cl"	33.962126
"270862"	2948.271602	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+Cl"	34.969402
"666567"	4404.922702	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+Cl"	34.969402
"1286625"	1491.620502	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Cl"	34.969402
"30275"	2950.250806	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M-2H+K"	36.948606
"466555"	4406.901906	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M-2H+K"	36.948606
"844359"	1493.599706	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-2H+K"	36.948606
"1565658"	1493.599706	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+K-2H"	36.948606
"954635"	1501.649294	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-H+HCOOH"	44.998194
"370666"	2958.300401	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+HCOOH-H"	44.998201
"352363"	2972.316051	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+Hac-H"	59.013851
"1504478"	1515.664951	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Hac-H"	59.013851
"968738"	1523.631251	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-H+NaCOOH"	66.980151
"121656"	1491.620502	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+2Cl"	69.938804
"561580"	2219.946052	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+2Cl"	69.938804
"1031473"	763.294952	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2Cl"	69.938804
"1252146"	1535.569985	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Br"	78.918885
"1318606"	1537.625972	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Cl+HCOOH"	80.974872
"1332821"	1559.607929	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Cl+NaCOOH"	102.956829
"925342"	1569.636686	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M-H+CF3COOH"	112.985586
"1302415"	1605.613364	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Cl+CF3COOH"	148.962264
"1379845"	1421.638424	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H-2H2O"	-35.012676
"1396975"	1439.6484	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H-H2O"	-17.0027
"295932"	2914.309476	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+H"	1.007276
"681061"	4370.960576	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+H"	1.007276
"1363972"	1457.658376	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H"	1.007276
"131027"	1457.658376	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+2H"	2.014552
"567306"	2185.983926	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+2H"	2.014552
"1039386"	729.332826	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2H"	2.014552
"208385"	972.108009333333	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+3H"	3.021828
"644699"	1457.658376	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+3H"	3.021828
"1178427"	486.557642666667	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+3H"	3.021828
"439960"	2931.336023	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+NH4"	18.033823
"801302"	4387.987123	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+NH4"	18.033823
"1696768"	1474.684923	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+NH4"	18.033823
"345162"	1466.1716495	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+H+NH4"	19.041099
"734303"	2194.4971995	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+H+NH4"	19.041099
"1487030"	737.8460995	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H+NH4"	19.041099
"405710"	2936.291418	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+Na"	22.989218
"760144"	4392.942518	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+Na"	22.989218
"1610430"	1479.640318	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Na"	22.989218
"322654"	1468.649347	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+H+Na"	23.996494
"721638"	2196.974897	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+H+Na"	23.996494
"1475094"	740.323797	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H+Na"	23.996494
"1066521"	493.884956666667	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2H+Na"	25.00377
"1266011"	1489.684586	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+CH3OH+H"	33.033486
"382399"	2952.265358	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+K"	38.963158
"746675"	4408.916458	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+K"	38.963158
"1542166"	1495.614258	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+K"	38.963158
"299704"	1476.636317	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+H+K"	39.970434
"693952"	2204.961867	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+H+K"	39.970434
"1453242"	748.310767	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H+K"	39.970434
"242209"	2955.336026	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+ACN+H"	42.033826
"1224886"	1498.684926	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+ACN+H"	42.033826
"1209231"	749.846101	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+ACN+2H"	43.041102
"203721"	2958.27336	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+2Na-H"	44.97116
"643281"	4414.92446	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+2Na-H"	44.97116
"1146298"	1501.62226	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2Na-H"	44.97116
"186918"	1479.640318	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+2Na"	45.978436
"627083"	2207.965868	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+2Na"	45.978436
"1130466"	751.314768	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2Na"	45.978436
"1411921"	501.212270666667	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H+2Na"	46.985712
"1442215"	1503.663846	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H+HCOOH"	47.012746
"234705"	1484.67334	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+3H2O+2H"	56.04448
"1522520"	1517.71589	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+IsoProp+H"	61.06479
"422574"	1487.627288	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+Na+K"	61.952376
"783931"	2215.952838	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+Na+K"	61.952376
"1678804"	759.301738	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Na+K"	61.952376
"265332"	2977.317968	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+ACN+Na"	64.015768
"1239497"	1520.666868	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+ACN+Na"	64.015768
"1727654"	1520.690393	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+NH4+HCOOH"	64.039293
"1187901"	508.539584666667	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+3Na"	68.967654
"1653419"	1525.645788	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Na+HCOOH"	68.994688
"161374"	2990.22124	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+2K-H"	76.91904
"602028"	4446.87234	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+2K-H"	76.91904
"1092007"	1533.57014	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2K-H"	76.91904
"148823"	1495.614258	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"2M+2K"	77.926316
"590571"	2223.939808	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"3M+2K"	77.926316
"1078364"	767.288708	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2K"	77.926316
"1109389"	1535.584692	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2K+H"	78.933592
"1343588"	1535.672307	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+DMSO+H"	79.021207
"1018680"	1539.711476	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2ACN+H"	83.060376
"1533526"	1540.705108	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+IsoProp+Na+H"	84.054008
"1001794"	770.359376	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+2ACN+2H"	84.067652
"1597764"	1541.619728	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+K+HCOOH"	84.968628
"1425607"	1571.651238	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+H+CF3COOH"	115.000138
"1155893"	790.872651	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+3ACN+2H"	125.094202
"1701070"	1588.677785	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+NH4+CF3COOH"	132.026685
"1646567"	1593.63318	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+Na+CF3COOH"	136.98208
"1582217"	1609.60712	"C08978"	"Senegin II"	"C70H104O32"	"1456.6511"	"M+K+CF3COOH"	152.95602
"802742"	218.0943	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M"	0
"974296"	199.07591	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-H2O-H"	-19.01839
"69984"	144.388924	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M-3H"	-3.021828
"512829"	217.087024	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M-3H"	-3.021828
"884070"	71.690824	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-3H"	-3.021828
"13582"	217.087024	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M-2H"	-2.014552
"450956"	326.134174	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M-2H"	-2.014552
"830946"	108.039874	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-2H"	-2.014552
"90940"	435.181324	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M-H"	-1.007276
"531593"	653.275624	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M-H"	-1.007276
"910490"	217.087024	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-H"	-1.007276
"62319"	452.207871	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M-2H+NH4"	16.019271
"502768"	670.302171	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M-2H+NH4"	16.019271
"877490"	234.113571	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-2H+NH4"	16.019271
"45391"	457.163266	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M-2H+Na"	20.974666
"478754"	675.257566	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M-2H+Na"	20.974666
"861661"	239.068966	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-2H+Na"	20.974666
"1621348"	239.068966	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Na-2H"	20.974666
"97512"	235.075363	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M-H+Cl"	33.962126
"536712"	344.122513	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M-H+Cl"	33.962126
"929135"	126.028213	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-H+Cl"	33.962126
"269146"	471.158002	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+Cl"	34.969402
"666677"	689.252302	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+Cl"	34.969402
"1283454"	253.063702	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Cl"	34.969402
"27104"	473.137206	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M-2H+K"	36.948606
"463385"	691.231506	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M-2H+K"	36.948606
"844468"	255.042906	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-2H+K"	36.948606
"1559207"	255.042906	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+K-2H"	36.948606
"950370"	263.092494	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-H+HCOOH"	44.998194
"370776"	481.186801	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+HCOOH-H"	44.998201
"353566"	495.202451	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+Hac-H"	59.013851
"1506411"	277.108151	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Hac-H"	59.013851
"968848"	285.074451	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-H+NaCOOH"	66.980151
"123953"	253.063702	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+2Cl"	69.938804
"561690"	362.110852	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+2Cl"	69.938804
"1032676"	144.016552	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2Cl"	69.938804
"1252256"	297.013185	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Br"	78.918885
"1318716"	299.069172	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Cl+HCOOH"	80.974872
"1333295"	321.051129	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Cl+NaCOOH"	102.956829
"925088"	331.079886	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M-H+CF3COOH"	112.985586
"1302162"	367.056564	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Cl+CF3COOH"	148.962264
"1378132"	183.081624	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H-2H2O"	-35.012676
"1395626"	201.0916	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H-H2O"	-17.0027
"296042"	437.195876	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+H"	1.007276
"687732"	655.290176	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+H"	1.007276
"1362989"	219.101576	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H"	1.007276
"133690"	219.101576	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+2H"	2.014552
"568874"	328.148726	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+2H"	2.014552
"1039861"	110.054426	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2H"	2.014552
"213235"	146.403476	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+3H"	3.021828
"645501"	219.101576	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+3H"	3.021828
"1178463"	73.705376	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+3H"	3.021828
"439674"	454.222423	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+NH4"	18.033823
"800908"	672.316723	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+NH4"	18.033823
"1694080"	236.128123	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+NH4"	18.033823
"344909"	227.6148495	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+H+NH4"	19.041099
"734413"	336.6619995	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+H+NH4"	19.041099
"1491152"	118.5676995	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H+NH4"	19.041099
"404727"	459.177818	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+Na"	22.989218
"764629"	677.272118	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+Na"	22.989218
"1617103"	241.083518	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Na"	22.989218
"326046"	230.092547	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+H+Na"	23.996494
"721992"	339.139697	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+H+Na"	23.996494
"1475568"	121.045397	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H+Na"	23.996494
"1065538"	81.03269	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2H+Na"	25.00377
"1266121"	251.127786	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+CH3OH+H"	33.033486
"386884"	475.151758	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+K"	38.963158
"745693"	693.246058	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+K"	38.963158
"1546653"	257.057458	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+K"	38.963158
"306015"	238.079517	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+H+K"	39.970434
"699532"	347.126667	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+H+K"	39.970434
"1458461"	129.032367	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H+K"	39.970434
"251251"	478.222426	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+ACN+H"	42.033826
"1225377"	260.128126	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+ACN+H"	42.033826
"1209664"	130.567701	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+ACN+2H"	43.041102
"204113"	481.15976	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+2Na-H"	44.97116
"643876"	699.25406	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+2Na-H"	44.97116
"1146731"	263.06546	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2Na-H"	44.97116
"188308"	241.083518	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+2Na"	45.978436
"627920"	350.130668	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+2Na"	45.978436
"1130214"	132.036368	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2Na"	45.978436
"1413126"	88.360004	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H+2Na"	46.985712
"1443784"	265.107046	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H+HCOOH"	47.012746
"235262"	246.11654	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+3H2O+2H"	56.04448
"1521899"	279.15909	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+IsoProp+H"	61.06479
"423652"	249.070488	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+Na+K"	61.952376
"785015"	358.117638	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+Na+K"	61.952376
"1678913"	140.023338	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Na+K"	61.952376
"260700"	500.204368	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+ACN+Na"	64.015768
"1238875"	282.110068	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+ACN+Na"	64.015768
"1721563"	282.133593	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+NH4+HCOOH"	64.039293
"1181449"	95.687318	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+3Na"	68.967654
"1653524"	287.088988	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Na+HCOOH"	68.994688
"158204"	513.10764	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+2K-H"	76.91904
"598857"	731.20194	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+2K-H"	76.91904
"1088837"	295.01334	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2K-H"	76.91904
"148933"	257.057458	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"2M+2K"	77.926316
"584119"	366.104608	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"3M+2K"	77.926316
"1078475"	148.010308	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2K"	77.926316
"1107309"	297.027892	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2K+H"	78.933592
"1349164"	297.115507	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+DMSO+H"	79.021207
"1011131"	301.154676	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2ACN+H"	83.060376
"1537645"	302.148308	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+IsoProp+Na+H"	84.054008
"1002268"	151.080976	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+2ACN+2H"	84.067652
"1597874"	303.062928	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+K+HCOOH"	84.968628
"1426446"	333.094438	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+H+CF3COOH"	115.000138
"1156003"	171.594251	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+3ACN+2H"	125.094202
"1703367"	350.120985	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+NH4+CF3COOH"	132.026685
"1647406"	355.07638	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+Na+CF3COOH"	136.98208
"1582327"	371.05032	"C08979"	"Toxol"	"C13H14O3"	"218.0943"	"M+K+CF3COOH"	152.95602
"806132"	458.376	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M"	0
"977477"	439.35761	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-H2O-H"	-19.01839
"65721"	304.576724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M-3H"	-3.021828
"504552"	457.368724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M-3H"	-3.021828
"887460"	151.784724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-3H"	-3.021828
"15035"	457.368724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M-2H"	-2.014552
"455363"	686.556724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M-2H"	-2.014552
"831307"	228.180724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-2H"	-2.014552
"92877"	915.744724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M-H"	-1.007276
"532803"	1374.120724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M-H"	-1.007276
"910362"	457.368724	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-H"	-1.007276
"60484"	932.771271	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M-2H+NH4"	16.019271
"502781"	1391.147271	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M-2H+NH4"	16.019271
"878332"	474.395271	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-2H+NH4"	16.019271
"45506"	937.726666	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M-2H+Na"	20.974666
"483970"	1396.102666	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M-2H+Na"	20.974666
"864161"	479.350666	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-2H+Na"	20.974666
"1622918"	479.350666	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Na-2H"	20.974666
"99449"	475.357063	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M-H+Cl"	33.962126
"537916"	704.545063	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M-H+Cl"	33.962126
"930339"	246.169063	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-H+Cl"	33.962126
"271083"	951.721402	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+Cl"	34.969402
"670067"	1410.097402	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+Cl"	34.969402
"1280284"	493.345402	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Cl"	34.969402
"23934"	953.700606	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M-2H+K"	36.948606
"463495"	1412.076606	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M-2H+K"	36.948606
"845671"	495.324606	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-2H+K"	36.948606
"1560410"	495.324606	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+K-2H"	36.948606
"948293"	503.374194	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-H+HCOOH"	44.998194
"371616"	961.750201	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+HCOOH-H"	44.998201
"357322"	975.765851	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+Hac-H"	59.013851
"1508224"	517.389851	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Hac-H"	59.013851
"972604"	525.356151	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-H+NaCOOH"	66.980151
"124063"	493.345402	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+2Cl"	69.938804
"565327"	722.533402	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+2Cl"	69.938804
"1035946"	264.157402	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2Cl"	69.938804
"1255647"	537.294885	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Br"	78.918885
"1317004"	539.350872	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Cl+HCOOH"	80.974872
"1333406"	561.332829	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Cl+NaCOOH"	102.956829
"925194"	571.361586	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M-H+CF3COOH"	112.985586
"1302632"	607.338264	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Cl+CF3COOH"	148.962264
"1380425"	423.363324	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H-2H2O"	-35.012676
"1394641"	441.3733	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H-H2O"	-17.0027
"294328"	917.759276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+H"	1.007276
"687842"	1376.135276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+H"	1.007276
"1363099"	459.383276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H"	1.007276
"132707"	459.383276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+2H"	2.014552
"568985"	688.571276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+2H"	2.014552
"1043255"	230.195276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2H"	2.014552
"213344"	306.591276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+3H"	3.021828
"652906"	459.383276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+3H"	3.021828
"1175412"	153.799276	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+3H"	3.021828
"439542"	934.785823	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+NH4"	18.033823
"799926"	1393.161823	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+NH4"	18.033823
"1696624"	476.409823	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+NH4"	18.033823
"344538"	467.8965495	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+H+NH4"	19.041099
"733430"	697.0845495	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+H+NH4"	19.041099
"1490533"	238.7085495	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H+NH4"	19.041099
"404837"	939.741218	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+Na"	22.989218
"764739"	1398.117218	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+Na"	22.989218
"1614661"	481.365218	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Na"	22.989218
"325061"	470.374247	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+H+Na"	23.996494
"715296"	699.562247	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+H+Na"	23.996494
"1470940"	241.186247	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H+Na"	23.996494
"1068001"	161.12659	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2H+Na"	25.00377
"1271336"	491.409486	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+CH3OH+H"	33.033486
"380432"	955.715158	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+K"	38.963158
"743614"	1414.091158	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+K"	38.963158
"1542749"	497.339158	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+K"	38.963158
"300655"	478.361217	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+H+K"	39.970434
"694170"	707.549217	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+H+K"	39.970434
"1446895"	249.173217	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H+K"	39.970434
"239874"	958.785826	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+ACN+H"	42.033826
"1222431"	500.409826	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+ACN+H"	42.033826
"1206313"	250.708551	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+ACN+2H"	43.041102
"202102"	961.72316	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+2Na-H"	44.97116
"643696"	1420.09916	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+2Na-H"	44.97116
"1146027"	503.34716	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2Na-H"	44.97116
"187373"	481.365218	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+2Na"	45.978436
"625840"	710.553218	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+2Na"	45.978436
"1128981"	252.177218	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2Na"	45.978436
"1411777"	168.453904	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H+2Na"	46.985712
"1442432"	505.388746	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H+HCOOH"	47.012746
"233951"	486.39824	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+3H2O+2H"	56.04448
"1521651"	519.44079	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+IsoProp+H"	61.06479
"422064"	489.352188	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+Na+K"	61.952376
"783788"	718.540188	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+Na+K"	61.952376
"1679384"	260.164188	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Na+K"	61.952376
"262259"	980.767768	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+ACN+Na"	64.015768
"1232786"	522.391768	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+ACN+Na"	64.015768
"1716568"	522.415293	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+NH4+HCOOH"	64.039293
"1179731"	175.781218	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+3Na"	68.967654
"1650148"	527.370688	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Na+HCOOH"	68.994688
"160500"	993.67104	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+2K-H"	76.91904
"597381"	1452.04704	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+2K-H"	76.91904
"1085667"	535.29504	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2K-H"	76.91904
"146857"	497.339158	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"2M+2K"	77.926316
"583136"	726.527158	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"3M+2K"	77.926316
"1080772"	268.151158	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2K"	77.926316
"1105961"	537.309592	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2K+H"	78.933592
"1346722"	537.397207	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+DMSO+H"	79.021207
"1009054"	541.436376	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2ACN+H"	83.060376
"1538120"	542.430008	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+IsoProp+Na+H"	84.054008
"1004811"	271.221826	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+2ACN+2H"	84.067652
"1597985"	543.344628	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+K+HCOOH"	84.968628
"1425827"	573.376138	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+H+CF3COOH"	115.000138
"1156113"	291.735101	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+3ACN+2H"	125.094202
"1703477"	590.402685	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+NH4+CF3COOH"	132.026685
"1646787"	595.35808	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+Na+CF3COOH"	136.98208
"1582437"	611.33202	"C08980"	"Soyasapogenol B;24-Hydroxysophoradiol"	"C30H50O3"	"458.376"	"M+K+CF3COOH"	152.95602
"802962"	300.1362	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M"	0
"975763"	281.11781	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-H2O-H"	-19.01839
"64372"	199.083524	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M-3H"	-3.021828
"506485"	299.128924	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M-3H"	-3.021828
"887570"	99.038124	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-3H"	-3.021828
"15230"	299.128924	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M-2H"	-2.014552
"454824"	449.197024	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M-2H"	-2.014552
"831660"	149.060824	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-2H"	-2.014552
"93471"	599.265124	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M-H"	-1.007276
"533640"	899.401324	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M-H"	-1.007276
"910471"	299.128924	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-H"	-1.007276
"62418"	616.291671	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M-2H+NH4"	16.019271
"501734"	916.427871	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M-2H+NH4"	16.019271
"879051"	316.155471	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-2H+NH4"	16.019271
"45252"	621.247066	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M-2H+Na"	20.974666
"485420"	921.383266	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M-2H+Na"	20.974666
"862370"	321.110866	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-2H+Na"	20.974666
"1623029"	321.110866	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Na-2H"	20.974666
"99560"	317.117263	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M-H+Cl"	33.962126
"540212"	467.185363	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M-H+Cl"	33.962126
"930449"	167.049163	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-H+Cl"	33.962126
"276660"	635.241802	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+Cl"	34.969402
"660699"	935.378002	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+Cl"	34.969402
"1282581"	335.105602	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Cl"	34.969402
"27325"	637.221006	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M-2H+K"	36.948606
"463605"	937.357206	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M-2H+K"	36.948606
"844688"	337.084806	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-2H+K"	36.948606
"1559427"	337.084806	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+K-2H"	36.948606
"950590"	345.134394	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-H+HCOOH"	44.998194
"373183"	645.270601	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+HCOOH-H"	44.998201
"358159"	659.286251	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+Hac-H"	59.013851
"1505173"	359.150051	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Hac-H"	59.013851
"972350"	367.116351	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-H+NaCOOH"	66.980151
"121255"	335.105602	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+2Cl"	69.938804
"564341"	485.173702	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+2Cl"	69.938804
"1030708"	185.037502	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2Cl"	69.938804
"1253570"	379.055085	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Br"	78.918885
"1318208"	381.111072	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Cl+HCOOH"	80.974872
"1334247"	403.093029	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Cl+NaCOOH"	102.956829
"926276"	413.121786	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M-H+CF3COOH"	112.985586
"1303592"	449.098464	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Cl+CF3COOH"	148.962264
"1381628"	265.123524	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H-2H2O"	-35.012676
"1392563"	283.1335	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H-H2O"	-17.0027
"291156"	601.279676	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+H"	1.007276
"686859"	901.415876	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+H"	1.007276
"1364302"	301.143476	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H"	1.007276
"135004"	301.143476	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+2H"	2.014552
"570918"	451.211576	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+2H"	2.014552
"1043729"	151.075376	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2H"	2.014552
"213454"	201.098076	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+3H"	3.021828
"655203"	301.143476	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+3H"	3.021828
"1176009"	101.052676	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+3H"	3.021828
"437701"	618.306223	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+NH4"	18.033823
"799797"	918.442423	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+NH4"	18.033823
"1695034"	318.170023	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+NH4"	18.033823
"343555"	309.6567495	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+H+NH4"	19.041099
"736095"	459.7248495	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+H+NH4"	19.041099
"1487362"	159.5886495	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H+NH4"	19.041099
"406770"	623.261618	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+Na"	22.989218
"764850"	923.397818	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+Na"	22.989218
"1615135"	323.125418	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Na"	22.989218
"325170"	312.134447	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+H+Na"	23.996494
"717592"	462.202547	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+H+Na"	23.996494
"1472872"	162.066347	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H+Na"	23.996494
"1066612"	108.37999	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2H+Na"	25.00377
"1271451"	333.169686	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+CH3OH+H"	33.033486
"386011"	639.235558	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+K"	38.963158
"742631"	939.371758	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+K"	38.963158
"1542496"	339.099358	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+K"	38.963158
"302953"	320.121417	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+H+K"	39.970434
"692094"	470.189517	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+H+K"	39.970434
"1447008"	170.053317	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H+K"	39.970434
"239986"	642.306226	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+ACN+H"	42.033826
"1221812"	342.170026	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+ACN+H"	42.033826
"1207153"	171.588651	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+ACN+2H"	43.041102
"201120"	645.24356	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+2Na-H"	44.97116
"643928"	945.37976	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+2Na-H"	44.97116
"1145769"	345.10736	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2Na-H"	44.97116
"187119"	323.125418	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+2Na"	45.978436
"627044"	473.193518	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+2Na"	45.978436
"1129092"	173.057318	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2Na"	45.978436
"1411521"	115.707304	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H+2Na"	46.985712
"1443637"	347.148946	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H+HCOOH"	47.012746
"233693"	328.15844	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+3H2O+2H"	56.04448
"1523096"	361.20099	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+IsoProp+H"	61.06479
"422539"	331.112388	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+Na+K"	61.952376
"783412"	481.180488	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+Na+K"	61.952376
"1679492"	181.044288	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Na+K"	61.952376
"265648"	664.288168	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+ACN+Na"	64.015768
"1232895"	364.151968	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+ACN+Na"	64.015768
"1716678"	364.175493	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+NH4+HCOOH"	64.039293
"1187136"	123.034618	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+3Na"	68.967654
"1651193"	369.130888	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Na+HCOOH"	68.994688
"158787"	677.19144	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+2K-H"	76.91904
"597136"	977.32764	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+2K-H"	76.91904
"1091243"	377.05524	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2K-H"	76.91904
"148060"	339.099358	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"2M+2K"	77.926316
"583246"	489.167458	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"3M+2K"	77.926316
"1080882"	189.031258	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2K"	77.926316
"1105342"	379.069792	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2K+H"	78.933592
"1349385"	379.157407	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+DMSO+H"	79.021207
"1010257"	383.196576	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2ACN+H"	83.060376
"1538109"	384.190208	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+IsoProp+Na+H"	84.054008
"1004313"	192.101926	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+2ACN+2H"	84.067652
"1601375"	385.104828	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+K+HCOOH"	84.968628
"1428124"	415.136338	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+H+CF3COOH"	115.000138
"1156223"	212.615201	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+3ACN+2H"	125.094202
"1703587"	432.162885	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+NH4+CF3COOH"	132.026685
"1647626"	437.11828	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+Na+CF3COOH"	136.98208
"1582547"	453.09222	"C08981"	"Toxyl angelate"	"C18H20O4"	"300.1362"	"M+K+CF3COOH"	152.95602
"806352"	1268.6037	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M"	0
"974546"	1249.58531	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-H2O-H"	-19.01839
"63875"	844.728524	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M-3H"	-3.021828
"509875"	1267.596424	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M-3H"	-3.021828
"884400"	421.860624	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-3H"	-3.021828
"15539"	1267.596424	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M-2H"	-2.014552
"455423"	1901.898274	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M-2H"	-2.014552
"831890"	633.294574	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-2H"	-2.014552
"93704"	2536.200124	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M-H"	-1.007276
"533873"	3804.803824	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M-H"	-1.007276
"910459"	1267.596424	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-H"	-1.007276
"61802"	2553.226671	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M-2H+NH4"	16.019271
"501600"	3821.830371	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M-2H+NH4"	16.019271
"878793"	1284.622971	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-2H+NH4"	16.019271
"46095"	2558.182066	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M-2H+Na"	20.974666
"486380"	3826.785766	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M-2H+Na"	20.974666
"862964"	1289.578366	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-2H+Na"	20.974666
"1623502"	1289.578366	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Na-2H"	20.974666
"100764"	1285.584763	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M-H+Cl"	33.962126
"537043"	1919.886613	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M-H+Cl"	33.962126
"930560"	651.282913	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-H+Cl"	33.962126
"274582"	2572.176802	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+Cl"	34.969402
"667006"	3840.780502	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+Cl"	34.969402
"1283785"	1303.573102	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Cl"	34.969402
"28529"	2574.156006	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M-2H+K"	36.948606
"466994"	3842.759706	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M-2H+K"	36.948606
"843705"	1305.552306	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-2H+K"	36.948606
"1561724"	1305.552306	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+K-2H"	36.948606
"950700"	1313.601894	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-H+HCOOH"	44.998194
"371107"	2582.205601	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+HCOOH-H"	44.998201
"357176"	2596.221251	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+Hac-H"	59.013851
"1506375"	1327.617551	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Hac-H"	59.013851
"972460"	1335.583851	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-H+NaCOOH"	66.980151
"121364"	1303.573102	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+2Cl"	69.938804
"564208"	1937.874952	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+2Cl"	69.938804
"1030818"	669.271252	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2Cl"	69.938804
"1256802"	1347.522585	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Br"	78.918885
"1317222"	1349.578572	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Cl+HCOOH"	80.974872
"1331440"	1371.560529	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Cl+NaCOOH"	102.956829
"926148"	1381.589286	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M-H+CF3COOH"	112.985586
"1302853"	1417.565964	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Cl+CF3COOH"	148.962264
"1381745"	1233.591024	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H-2H2O"	-35.012676
"1393768"	1251.601	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H-H2O"	-17.0027
"291267"	2538.214676	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+H"	1.007276
"685876"	3806.818376	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+H"	1.007276
"1362225"	1269.610976	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H"	1.007276
"135114"	1269.610976	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+2H"	2.014552
"570300"	1903.912826	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+2H"	2.014552
"1042746"	635.309126	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2H"	2.014552
"218304"	846.743076	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+3H"	3.021828
"652031"	1269.610976	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+3H"	3.021828
"1165416"	423.875176	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+3H"	3.021828
"438428"	2555.241223	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+NH4"	18.033823
"800513"	3823.844923	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+NH4"	18.033823
"1695874"	1286.637523	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+NH4"	18.033823
"343056"	1278.1242495	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+H+NH4"	19.041099
"735474"	1912.4260995	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+H+NH4"	19.041099
"1487472"	643.8223995	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H+NH4"	19.041099
"406881"	2560.196618	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+Na"	22.989218
"767880"	3828.800318	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+Na"	22.989218
"1615979"	1291.592918	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Na"	22.989218
"325283"	1280.601947	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+H+Na"	23.996494
"718796"	1914.903797	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+H+Na"	23.996494
"1472618"	646.300097	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H+Na"	23.996494
"1067457"	431.20249	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2H+Na"	25.00377
"1272047"	1301.637186	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+CH3OH+H"	33.033486
"390862"	2576.170558	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+K"	38.963158
"750397"	3844.774258	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+K"	38.963158
"1551356"	1307.566858	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+K"	38.963158
"305252"	1288.588917	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+H+K"	39.970434
"695486"	1922.890767	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+H+K"	39.970434
"1453682"	654.287067	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H+K"	39.970434
"244471"	2579.241226	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+ACN+H"	42.033826
"1221922"	1310.637526	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+ACN+H"	42.033826
"1207871"	655.822401	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+ACN+2H"	43.041102
"203427"	2582.17856	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+2Na-H"	44.97116
"643346"	3850.78226	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+2Na-H"	44.97116
"1143822"	1313.57486	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2Na-H"	44.97116
"187107"	1291.592918	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+2Na"	45.978436
"626062"	1925.894768	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+2Na"	45.978436
"1129441"	657.291068	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2Na"	45.978436
"1412482"	438.529804	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H+2Na"	46.985712
"1440828"	1315.616446	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H+HCOOH"	47.012746
"233803"	1296.62594	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+3H2O+2H"	56.04448
"1522234"	1329.66849	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+IsoProp+H"	61.06479
"422648"	1299.579888	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+Na+K"	61.952376
"784005"	1933.881738	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+Na+K"	61.952376
"1678147"	665.278038	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Na+K"	61.952376
"261387"	2601.223168	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+ACN+Na"	64.015768
"1236285"	1332.619468	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+ACN+Na"	64.015768
"1721892"	1332.642993	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+NH4+HCOOH"	64.039293
"1187245"	445.857118	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+3Na"	68.967654
"1652032"	1337.598388	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Na+HCOOH"	68.994688
"157314"	2614.12644	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+2K-H"	76.91904
"597213"	3882.73014	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+2K-H"	76.91904
"1084793"	1345.52274	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2K-H"	76.91904
"145983"	1307.566858	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"2M+2K"	77.926316
"582261"	1941.868708	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"3M+2K"	77.926316
"1071150"	673.265008	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2K"	77.926316
"1101319"	1347.537292	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2K+H"	78.933592
"1347306"	1347.624907	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+DMSO+H"	79.021207
"1007814"	1351.664076	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2ACN+H"	83.060376
"1537246"	1352.657708	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+IsoProp+Na+H"	84.054008
"997129"	676.335676	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+2ACN+2H"	84.067652
"1601969"	1353.572328	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+K+HCOOH"	84.968628
"1427141"	1383.603838	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+H+CF3COOH"	115.000138
"1153053"	696.848951	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+3ACN+2H"	125.094202
"1701510"	1400.630385	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+NH4+CF3COOH"	132.026685
"1648830"	1405.58578	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+Na+CF3COOH"	136.98208
"1585937"	1421.55972	"C08982"	"Soyasaponin A1"	"C59H96O29"	"1268.6037"	"M+K+CF3COOH"	152.95602
"803182"	942.5188	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M"	0
"974524"	923.50041	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-H2O-H"	-19.01839
"63864"	627.338590666667	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M-3H"	-3.021828
"509985"	941.511524	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M-3H"	-3.021828
"887786"	313.165657333333	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-3H"	-3.021828
"1991"	941.511524	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M-2H"	-2.014552
"454190"	1412.770924	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M-2H"	-2.014552
"832712"	470.252124	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-2H"	-2.014552
"94254"	1884.030324	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M-H"	-1.007276
"534166"	2826.549124	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M-H"	-1.007276
"911140"	941.511524	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-H"	-1.007276
"62722"	1901.056871	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M-2H+NH4"	16.019271
"502485"	2843.575671	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M-2H+NH4"	16.019271
"879026"	958.538071	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-2H+NH4"	16.019271
"46448"	1906.012266	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M-2H+Na"	20.974666
"486737"	2848.531066	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M-2H+Na"	20.974666
"863685"	963.493466	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-2H+Na"	20.974666
"1623249"	963.493466	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Na-2H"	20.974666
"99780"	959.499863	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M-H+Cl"	33.962126
"541526"	1430.759263	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M-H+Cl"	33.962126
"931763"	488.240463	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-H+Cl"	33.962126
"274692"	1920.007002	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+Cl"	34.969402
"663836"	2862.525802	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+Cl"	34.969402
"1280615"	977.488202	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Cl"	34.969402
"26453"	1921.986206	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M-2H+K"	36.948606
"467104"	2864.505006	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M-2H+K"	36.948606
"838347"	979.467406	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-2H+K"	36.948606
"1559647"	979.467406	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+K-2H"	36.948606
"952997"	987.516994	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-H+HCOOH"	44.998194
"373402"	1930.035801	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+HCOOH-H"	44.998201
"357286"	1944.051451	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+Hac-H"	59.013851
"1506851"	1001.532651	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Hac-H"	59.013851
"972692"	1009.498951	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-H+NaCOOH"	66.980151
"123661"	977.488202	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+2Cl"	69.938804
"564076"	1448.747602	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+2Cl"	69.938804
"1036277"	506.228802	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2Cl"	69.938804
"1253797"	1021.437685	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Br"	78.918885
"1318790"	1023.493672	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Cl+HCOOH"	80.974872
"1332282"	1045.475629	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Cl+NaCOOH"	102.956829
"924797"	1055.504386	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M-H+CF3COOH"	112.985586
"1302723"	1091.481064	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Cl+CF3COOH"	148.962264
"1382341"	907.506124	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H-2H2O"	-35.012676
"1394971"	925.5161	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H-H2O"	-17.0027
"295754"	1886.044876	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+H"	1.007276
"690363"	2828.563676	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+H"	1.007276
"1359055"	943.526076	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H"	1.007276
"135225"	943.526076	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+2H"	2.014552
"572598"	1414.785476	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+2H"	2.014552
"1042127"	472.266676	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2H"	2.014552
"218414"	629.353142666667	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+3H"	3.021828
"652141"	943.526076	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+3H"	3.021828
"1166620"	315.180209333333	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+3H"	3.021828
"439711"	1903.071423	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+NH4"	18.033823
"800623"	2845.590223	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+NH4"	18.033823
"1696914"	960.552623	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+NH4"	18.033823
"345230"	952.0393495	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+H+NH4"	19.041099
"734491"	1423.2987495	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+H+NH4"	19.041099
"1487582"	480.7799495	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H+NH4"	19.041099
"408483"	1908.026818	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+Na"	22.989218
"766165"	2850.545618	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+Na"	22.989218
"1614262"	965.508018	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Na"	22.989218
"324300"	954.517047	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+H+Na"	23.996494
"717812"	1425.776447	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+H+Na"	23.996494
"1473821"	483.257647	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H+Na"	23.996494
"1067804"	322.507523333333	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2H+Na"	25.00377
"1272606"	975.552286	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+CH3OH+H"	33.033486
"389513"	1924.000758	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+K"	38.963158
"747228"	2866.519558	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+K"	38.963158
"1544906"	981.481958	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+K"	38.963158
"302081"	962.504017	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+H+K"	39.970434
"695596"	1433.763417	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+H+K"	39.970434
"1457074"	491.244617	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H+K"	39.970434
"246770"	1927.071426	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+ACN+H"	42.033826
"1222759"	984.552626	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+ACN+H"	42.033826
"1204454"	492.779951	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+ACN+2H"	43.041102
"203042"	1930.00876	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+2Na-H"	44.97116
"642731"	2872.52756	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+2Na-H"	44.97116
"1143690"	987.48996	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2Na-H"	44.97116
"186612"	965.508018	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+2Na"	45.978436
"625810"	1436.767418	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+2Na"	45.978436
"1129554"	494.248618	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2Na"	45.978436
"1412959"	329.834837333333	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H+2Na"	46.985712
"1444586"	989.531546	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H+HCOOH"	47.012746
"234769"	970.54104	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+3H2O+2H"	56.04448
"1522708"	1003.58359	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+IsoProp+H"	61.06479
"423365"	973.494988	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+Na+K"	61.952376
"783388"	1444.754388	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+Na+K"	61.952376
"1679350"	502.235588	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Na+K"	61.952376
"264412"	1949.053368	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+ACN+Na"	64.015768
"1235299"	1006.534568	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+ACN+Na"	64.015768
"1720909"	1006.558093	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+NH4+HCOOH"	64.039293
"1188449"	337.162151333333	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+3Na"	68.967654
"1653233"	1011.513488	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Na+HCOOH"	68.994688
"158397"	1961.95664	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+2K-H"	76.91904
"601484"	2904.47544	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+2K-H"	76.91904
"1088183"	1019.43784	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2K-H"	76.91904
"146093"	981.481958	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"2M+2K"	77.926316
"583465"	1452.741358	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"3M+2K"	77.926316
"1072353"	510.222558	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2K"	77.926316
"1104467"	1021.452392	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2K+H"	78.933592
"1347416"	1021.540007	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+DMSO+H"	79.021207
"1008290"	1025.579176	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2ACN+H"	83.060376
"1536263"	1026.572808	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+IsoProp+Na+H"	84.054008
"996146"	513.293226	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+2ACN+2H"	84.067652
"1599402"	1027.487428	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+K+HCOOH"	84.968628
"1428344"	1057.518938	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+H+CF3COOH"	115.000138
"1153163"	533.806501	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+3ACN+2H"	125.094202
"1699431"	1074.545485	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+NH4+CF3COOH"	132.026685
"1648210"	1079.50088	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+Na+CF3COOH"	136.98208
"1586047"	1095.47482	"C08983"	"Soyasaponin I"	"C48H78O18"	"942.5188"	"M+K+CF3COOH"	152.95602
"804385"	794.4453	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M"	0
"976093"	775.42691	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-H2O-H"	-19.01839
"64702"	528.622924	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M-3H"	-3.021828
"510095"	793.438024	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M-3H"	-3.021828
"887896"	263.807824	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-3H"	-3.021828
"5381"	793.438024	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M-2H"	-2.014552
"454908"	1190.660674	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M-2H"	-2.014552
"832479"	396.215374	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-2H"	-2.014552
"94168"	1587.883324	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M-H"	-1.007276
"533483"	2382.328624	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M-H"	-1.007276
"911007"	793.438024	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-H"	-1.007276
"62708"	1604.909871	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M-2H+NH4"	16.019271
"501941"	2399.355171	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M-2H+NH4"	16.019271
"879012"	810.464571	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-2H+NH4"	16.019271
"46798"	1609.865266	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M-2H+Na"	20.974666
"486805"	2404.310566	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M-2H+Na"	20.974666
"863958"	815.419966	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-2H+Na"	20.974666
"1631741"	815.419966	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Na-2H"	20.974666
"98429"	811.426363	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M-H+Cl"	33.962126
"540543"	1208.649013	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M-H+Cl"	33.962126
"932965"	414.203713	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-H+Cl"	33.962126
"273708"	1623.860002	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+Cl"	34.969402
"667225"	2418.305302	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+Cl"	34.969402
"1281818"	829.414702	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Cl"	34.969402
"27653"	1625.839206	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M-2H+K"	36.948606
"465027"	2420.284506	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M-2H+K"	36.948606
"839550"	831.393906	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-2H+K"	36.948606
"1559757"	831.393906	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+K-2H"	36.948606
"950920"	839.443494	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-H+HCOOH"	44.998194
"374605"	1633.888801	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+HCOOH-H"	44.998201
"357396"	1647.904451	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+Hac-H"	59.013851
"1507933"	853.459151	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Hac-H"	59.013851
"973410"	861.425451	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-H+NaCOOH"	66.980151
"121584"	829.414702	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+2Cl"	69.938804
"565036"	1226.637352	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+2Cl"	69.938804
"1036264"	432.192052	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2Cl"	69.938804
"1256217"	873.364185	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Br"	78.918885
"1318533"	875.420172	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Cl+HCOOH"	80.974872
"1333120"	897.402129	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Cl+NaCOOH"	102.956829
"925270"	907.430886	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M-H+CF3COOH"	112.985586
"1303075"	943.407564	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Cl+CF3COOH"	148.962264
"1381964"	759.432624	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H-2H2O"	-35.012676
"1392894"	777.4426	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H-H2O"	-17.0027
"296956"	1589.897876	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+H"	1.007276
"690108"	2384.343176	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+H"	1.007276
"1363539"	795.452576	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H"	1.007276
"138616"	795.452576	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+2H"	2.014552
"573801"	1192.675226	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+2H"	2.014552
"1042237"	398.229926	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2H"	2.014552
"218159"	530.637476	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+3H"	3.021828
"651158"	795.452576	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+3H"	3.021828
"1165637"	265.822376	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+3H"	3.021828
"439376"	1606.924423	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+NH4"	18.033823
"800004"	2401.369723	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+NH4"	18.033823
"1696740"	812.479123	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+NH4"	18.033823
"343639"	803.9658495	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+H+NH4"	19.041099
"734965"	1201.1884995	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+H+NH4"	19.041099
"1487692"	406.7431995	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H+NH4"	19.041099
"407466"	1611.879818	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+Na"	22.989218
"766274"	2406.325118	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+Na"	22.989218
"1614372"	817.434518	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Na"	22.989218
"326596"	806.443547	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+H+Na"	23.996494
"720474"	1203.666197	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+H+Na"	23.996494
"1473203"	409.220897	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H+Na"	23.996494
"1068201"	273.14969	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2H+Na"	25.00377
"1272432"	827.478786	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+CH3OH+H"	33.033486
"390716"	1627.853758	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+K"	38.963158
"749525"	2422.299058	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+K"	38.963158
"1547203"	833.408458	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+K"	38.963158
"308755"	814.430517	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+H+K"	39.970434
"705549"	1211.653167	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+H+K"	39.970434
"1458642"	417.207867	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H+K"	39.970434
"247973"	1630.924426	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+ACN+H"	42.033826
"1222869"	836.479126	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+ACN+H"	42.033826
"1204564"	418.743201	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+ACN+2H"	43.041102
"203759"	1633.86176	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+2Na-H"	44.97116
"642477"	2428.30706	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+2Na-H"	44.97116
"1144892"	839.41646	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2Na-H"	44.97116
"185991"	817.434518	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+2Na"	45.978436
"627009"	1214.657168	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+2Na"	45.978436
"1128692"	420.211868	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2Na"	45.978436
"1413715"	280.477004	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H+2Na"	46.985712
"1445058"	841.458046	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H+HCOOH"	47.012746
"235591"	822.46754	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+3H2O+2H"	56.04448
"1523716"	855.51009	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+IsoProp+H"	61.06479
"424043"	825.421488	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+Na+K"	61.952376
"784470"	1222.644138	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+Na+K"	61.952376
"1677276"	428.198838	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Na+K"	61.952376
"265980"	1652.906368	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+ACN+Na"	64.015768
"1238690"	858.461068	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+ACN+Na"	64.015768
"1718830"	858.484593	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+NH4+HCOOH"	64.039293
"1188559"	287.804318	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+3Na"	68.967654
"1652979"	863.439988	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Na+HCOOH"	68.994688
"159358"	1665.80964	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+2K-H"	76.91904
"601594"	2460.25494	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+2K-H"	76.91904
"1088293"	871.36434	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2K-H"	76.91904
"142552"	833.408458	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"2M+2K"	77.926316
"582966"	1230.631108	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"3M+2K"	77.926316
"1071370"	436.185808	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2K"	77.926316
"1101052"	873.378892	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2K+H"	78.933592
"1346433"	873.466507	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+DMSO+H"	79.021207
"1007671"	877.505676	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2ACN+H"	83.060376
"1539289"	878.499308	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+IsoProp+Na+H"	84.054008
"997349"	439.256476	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+2ACN+2H"	84.067652
"1600606"	879.413928	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+K+HCOOH"	84.968628
"1429183"	909.445438	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+H+CF3COOH"	115.000138
"1158740"	459.769751	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+3ACN+2H"	125.094202
"1699541"	926.471985	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+NH4+CF3COOH"	132.026685
"1647227"	931.42738	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+Na+CF3COOH"	136.98208
"1586157"	947.40132	"C08984"	"Spinasaponin A"	"C42H66O14"	"794.4453"	"M+K+CF3COOH"	152.95602
"803402"	798.4766	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M"	0
"974241"	779.45821	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-H2O-H"	-19.01839
"64084"	531.310457333333	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M-3H"	-3.021828
"510205"	797.469324	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M-3H"	-3.021828
"888006"	265.151590666667	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-3H"	-3.021828
"2211"	797.469324	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M-2H"	-2.014552
"455139"	1196.707624	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M-2H"	-2.014552
"832423"	398.231024	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-2H"	-2.014552
"93787"	1595.945924	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M-H"	-1.007276
"533473"	2394.422524	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M-H"	-1.007276
"907872"	797.469324	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-H"	-1.007276
"62490"	1612.972471	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M-2H+NH4"	16.019271
"502292"	2411.449071	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M-2H+NH4"	16.019271
"879125"	814.495871	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-2H+NH4"	16.019271
"46949"	1617.927866	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M-2H+Na"	20.974666
"485978"	2416.404466	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M-2H+Na"	20.974666
"863619"	819.451266	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-2H+Na"	20.974666
"1629664"	819.451266	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Na-2H"	20.974666
"98903"	815.457663	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M-H+Cl"	33.962126
"538467"	1214.695963	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M-H+Cl"	33.962126
"930886"	416.219363	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-H+Cl"	33.962126
"272724"	1631.922602	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+Cl"	34.969402
"662232"	2430.399202	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+Cl"	34.969402
"1284112"	833.446002	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Cl"	34.969402
"27762"	1633.901806	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M-2H+K"	36.948606
"461857"	2432.378406	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M-2H+K"	36.948606
"839659"	835.425206	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-2H+K"	36.948606
"1557679"	835.425206	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+K-2H"	36.948606
"948842"	843.474794	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-H+HCOOH"	44.998194
"372528"	1641.951401	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+HCOOH-H"	44.998201
"357142"	1655.967051	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+Hac-H"	59.013851
"1506949"	857.490451	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Hac-H"	59.013851
"972912"	865.456751	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-H+NaCOOH"	66.980151
"121330"	833.446002	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+2Cl"	69.938804
"564781"	1232.684302	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+2Cl"	69.938804
"1036738"	434.207702	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2Cl"	69.938804
"1256921"	877.395485	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Br"	78.918885
"1315361"	879.451472	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Cl+HCOOH"	80.974872
"1331766"	901.433429	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Cl+NaCOOH"	102.956829
"925011"	911.462186	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M-H+CF3COOH"	112.985586
"1303185"	947.438864	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Cl+CF3COOH"	148.962264
"1382071"	763.463924	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H-2H2O"	-35.012676
"1393004"	781.4739	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H-H2O"	-17.0027
"295973"	1597.960476	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+H"	1.007276
"690218"	2396.437076	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+H"	1.007276
"1363649"	799.483876	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H"	1.007276
"135446"	799.483876	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+2H"	2.014552
"570995"	1198.722176	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+2H"	2.014552
"1042712"	400.245576	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2H"	2.014552
"218634"	533.325009333333	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+3H"	3.021828
"651268"	799.483876	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+3H"	3.021828
"1165747"	267.166142666667	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+3H"	3.021828
"439571"	1614.987023	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+NH4"	18.033823
"799870"	2413.463623	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+NH4"	18.033823
"1695836"	816.510423	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+NH4"	18.033823
"343020"	807.9971495	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+H+NH4"	19.041099
"734711"	1207.2354495	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+H+NH4"	19.041099
"1488895"	408.7588495	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H+NH4"	19.041099
"405755"	1619.942418	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+Na"	22.989218
"766384"	2418.419018	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+Na"	22.989218
"1615211"	821.465818	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Na"	22.989218
"325978"	810.474847	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+H+Na"	23.996494
"717670"	1209.713147	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+H+Na"	23.996494
"1473314"	411.236547	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H+Na"	23.996494
"1067657"	274.493456666667	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2H+Na"	25.00377
"1272496"	831.510086	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+CH3OH+H"	33.033486
"389004"	1635.916358	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+K"	38.963158
"746354"	2434.392958	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+K"	38.963158
"1547313"	837.439758	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+K"	38.963158
"308864"	818.461817	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+H+K"	39.970434
"699097"	1217.700117	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+H+K"	39.970434
"1458386"	419.223517	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H+K"	39.970434
"250392"	1638.987026	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+ACN+H"	42.033826
"1219697"	840.510426	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+ACN+H"	42.033826
"1204674"	420.758851	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+ACN+2H"	43.041102
"203869"	1641.92436	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+2Na-H"	44.97116
"643318"	2440.40096	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+2Na-H"	44.97116
"1145726"	843.44776	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2Na-H"	44.97116
"187803"	821.465818	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+2Na"	45.978436
"627120"	1220.704118	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+2Na"	45.978436
"1129895"	422.227518	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2Na"	45.978436
"1412324"	281.820770666667	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H+2Na"	46.985712
"1444803"	845.489346	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H+HCOOH"	47.012746
"235671"	826.49884	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+3H2O+2H"	56.04448
"1524017"	859.54139	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+IsoProp+H"	61.06479
"424159"	829.452788	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+Na+K"	61.952376
"783609"	1228.691088	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+Na+K"	61.952376
"1677386"	430.214488	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Na+K"	61.952376
"263904"	1660.968968	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+ACN+Na"	64.015768
"1238436"	862.492368	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+ACN+Na"	64.015768
"1718941"	862.515893	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+NH4+HCOOH"	64.039293
"1188669"	289.148084666667	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+3Na"	68.967654
"1656372"	867.471288	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Na+HCOOH"	68.994688
"158736"	1673.87224	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+2K-H"	76.91904
"603891"	2472.34884	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+2K-H"	76.91904
"1088403"	875.39564	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2K-H"	76.91904
"142420"	837.439758	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"2M+2K"	77.926316
"583076"	1236.678058	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"3M+2K"	77.926316
"1070508"	438.201458	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2K"	77.926316
"1101771"	877.410192	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2K+H"	78.933592
"1341075"	877.497807	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+DMSO+H"	79.021207
"1007659"	881.536976	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2ACN+H"	83.060376
"1537572"	882.530608	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+IsoProp+Na+H"	84.054008
"997459"	441.272126	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+2ACN+2H"	84.067652
"1601688"	883.445228	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+K+HCOOH"	84.968628
"1425282"	913.476738	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+H+CF3COOH"	115.000138
"1158850"	461.785401	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+3ACN+2H"	125.094202
"1699651"	930.503285	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+NH4+CF3COOH"	132.026685
"1648430"	935.45868	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+Na+CF3COOH"	136.98208
"1582987"	951.43262	"C08985"	"Thalicoside A"	"C42H70O14"	"798.4766"	"M+K+CF3COOH"	152.95602
"803512"	1232.5826	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M"	0
"974855"	1213.56421	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-H2O-H"	-19.01839
"65287"	820.714457333333	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M-3H"	-3.021828
"510315"	1231.575324	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M-3H"	-3.021828
"888116"	409.853590666667	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-3H"	-3.021828
"618"	1231.575324	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M-2H"	-2.014552
"452819"	1847.866624	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M-2H"	-2.014552
"830992"	615.284024	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-2H"	-2.014552
"92806"	2464.157924	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M-H"	-1.007276
"533337"	3696.740524	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M-H"	-1.007276
"909927"	1231.575324	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-H"	-1.007276
"60900"	2481.184471	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M-2H+NH4"	16.019271
"501676"	3713.767071	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M-2H+NH4"	16.019271
"878260"	1248.601871	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-2H+NH4"	16.019271
"46043"	2486.139866	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M-2H+Na"	20.974666
"486904"	3718.722466	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M-2H+Na"	20.974666
"862428"	1253.557266	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-2H+Na"	20.974666
"1629045"	1253.557266	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Na-2H"	20.974666
"101201"	1249.563663	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M-H+Cl"	33.962126
"539670"	1865.854963	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M-H+Cl"	33.962126
"933187"	633.272363	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-H+Cl"	33.962126
"272834"	2500.134602	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+Cl"	34.969402
"661248"	3732.717202	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+Cl"	34.969402
"1284221"	1267.552002	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Cl"	34.969402
"24591"	2502.113806	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M-2H+K"	36.948606
"458686"	3734.696406	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M-2H+K"	36.948606
"834664"	1269.531206	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-2H+K"	36.948606
"1556328"	1269.531206	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+K-2H"	36.948606
"947858"	1277.580794	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-H+HCOOH"	44.998194
"372638"	2510.163401	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+HCOOH-H"	44.998201
"357616"	2524.179051	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+Hac-H"	59.013851
"1507182"	1291.596451	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Hac-H"	59.013851
"969982"	1299.562751	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-H+NaCOOH"	66.980151
"118524"	1267.552002	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+2Cl"	69.938804
"559178"	1883.843302	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+2Cl"	69.938804
"1027977"	651.260702	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2Cl"	69.938804
"1255943"	1311.501485	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Br"	78.918885
"1315471"	1313.557472	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Cl+HCOOH"	80.974872
"1332969"	1335.539429	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Cl+NaCOOH"	102.956829
"925489"	1345.568186	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M-H+CF3COOH"	112.985586
"1302928"	1381.544864	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Cl+CF3COOH"	148.962264
"1378898"	1197.569924	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H-2H2O"	-35.012676
"1390927"	1215.5799	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H-H2O"	-17.0027
"296083"	2466.172476	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+H"	1.007276
"689964"	3698.755076	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+H"	1.007276
"1362666"	1233.589876	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H"	1.007276
"135556"	1233.589876	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+2H"	2.014552
"572929"	1849.881176	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+2H"	2.014552
"1049386"	617.298576	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2H"	2.014552
"216192"	822.729009333333	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+3H"	3.021828
"657576"	1233.589876	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+3H"	3.021828
"1177891"	411.868142666667	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+3H"	3.021828
"439716"	2483.199023	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+NH4"	18.033823
"798157"	3715.781623	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+NH4"	18.033823
"1693392"	1250.616423	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+NH4"	18.033823
"343495"	1242.1031495	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+H+NH4"	19.041099
"737378"	1858.3944495	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+H+NH4"	19.041099
"1489005"	625.8118495	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H+NH4"	19.041099
"401125"	2488.154418	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+Na"	22.989218
"764306"	3720.737018	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+Na"	22.989218
"1610218"	1255.571818	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Na"	22.989218
"325721"	1244.580847	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+H+Na"	23.996494
"715956"	1860.872147	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+H+Na"	23.996494
"1474883"	628.289547	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H+Na"	23.996494
"1067770"	419.195456666667	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2H+Na"	25.00377
"1272486"	1265.616086	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+CH3OH+H"	33.033486
"385470"	2504.128358	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+K"	38.963158
"745371"	3736.710958	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+K"	38.963158
"1545237"	1271.545758	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+K"	38.963158
"307881"	1252.567817	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+H+K"	39.970434
"699207"	1868.859117	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+H+K"	39.970434
"1457768"	636.276517	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H+K"	39.970434
"250259"	2507.199026	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+ACN+H"	42.033826
"1219807"	1274.616426	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+ACN+H"	42.033826
"1204783"	637.811851	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+ACN+2H"	43.041102
"203979"	2510.13636	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+2Na-H"	44.97116
"641605"	3742.71896	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+2Na-H"	44.97116
"1145471"	1277.55376	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2Na-H"	44.97116
"186940"	1255.571818	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+2Na"	45.978436
"626500"	1871.863118	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+2Na"	45.978436
"1128912"	639.280518	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2Na"	45.978436
"1413163"	426.522770666667	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H+2Na"	46.985712
"1441998"	1279.595346	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H+HCOOH"	47.012746
"232056"	1260.60484	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+3H2O+2H"	56.04448
"1523811"	1293.64739	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+IsoProp+H"	61.06479
"423452"	1263.558788	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+Na+K"	61.952376
"782261"	1879.850088	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+Na+K"	61.952376
"1679684"	647.267488	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Na+K"	61.952376
"264381"	2529.180968	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+ACN+Na"	64.015768
"1238183"	1296.598368	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+ACN+Na"	64.015768
"1719780"	1296.621893	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+NH4+HCOOH"	64.039293
"1187321"	433.850084666667	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+3Na"	68.967654
"1655389"	1301.577288	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Na+HCOOH"	68.994688
"162251"	2542.08424	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+2K-H"	76.91904
"601814"	3774.66684	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+2K-H"	76.91904
"1089606"	1309.50164	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2K-H"	76.91904
"144234"	1271.545758	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"2M+2K"	77.926316
"584886"	1887.837058	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"3M+2K"	77.926316
"1071590"	655.254458	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2K"	77.926316
"1100665"	1311.516192	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2K+H"	78.933592
"1341185"	1311.603807	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+DMSO+H"	79.021207
"1007403"	1315.642976	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2ACN+H"	83.060376
"1531121"	1316.636608	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+IsoProp+Na+H"	84.054008
"990150"	658.325126	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+2ACN+2H"	84.067652
"1597545"	1317.551228	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+K+HCOOH"	84.968628
"1421018"	1347.582738	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+H+CF3COOH"	115.000138
"1152399"	678.838401	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+3ACN+2H"	125.094202
"1705228"	1364.609285	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+NH4+CF3COOH"	132.026685
"1647447"	1369.56468	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+Na+CF3COOH"	136.98208
"1583097"	1385.53862	"C08986"	"Theasaponin"	"C59H92O27"	"1232.5826"	"M+K+CF3COOH"	152.95602
"803622"	1318.6194	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M"	0
"980435"	1299.60101	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-H2O-H"	-19.01839
"73052"	878.072324	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M-3H"	-3.021828
"513706"	1317.612124	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M-3H"	-3.021828
"884946"	438.532524	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-3H"	-3.021828
"2431"	1317.612124	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M-2H"	-2.014552
"452565"	1976.921824	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M-2H"	-2.014552
"831106"	658.302424	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-2H"	-2.014552
"92556"	2636.231524	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M-H"	-1.007276
"533696"	3954.850924	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M-H"	-1.007276
"909433"	1317.612124	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-H"	-1.007276
"61986"	2653.258071	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M-2H+NH4"	16.019271
"501909"	3971.877471	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M-2H+NH4"	16.019271
"878495"	1334.638671	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-2H+NH4"	16.019271
"46883"	2658.213466	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M-2H+Na"	20.974666
"486566"	3976.832866	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M-2H+Na"	20.974666
"862174"	1339.594066	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-2H+Na"	20.974666
"1626969"	1339.594066	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Na-2H"	20.974666
"102406"	1335.600463	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M-H+Cl"	33.962126
"541969"	1994.910163	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M-H+Cl"	33.962126
"940589"	676.290763	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-H+Cl"	33.962126
"267841"	2672.208202	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+Cl"	34.969402
"664276"	3990.827602	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+Cl"	34.969402
"1277772"	1353.588802	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Cl"	34.969402
"19235"	2674.187406	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M-2H+K"	36.948606
"465357"	3992.806806	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M-2H+K"	36.948606
"836598"	1355.568006	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-2H+K"	36.948606
"1556806"	1355.568006	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+K-2H"	36.948606
"950156"	1363.617594	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-H+HCOOH"	44.998194
"372384"	2682.237001	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+HCOOH-H"	44.998201
"358821"	2696.252651	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+Hac-H"	59.013851
"1507289"	1377.633251	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Hac-H"	59.013851
"973374"	1385.599551	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-H+NaCOOH"	66.980151
"118634"	1353.588802	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+2Cl"	69.938804
"564393"	2012.898502	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+2Cl"	69.938804
"1028087"	694.279102	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2Cl"	69.938804
"1255691"	1397.538285	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Br"	78.918885
"1318865"	1399.594272	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Cl+HCOOH"	80.974872
"1330892"	1421.576229	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Cl+NaCOOH"	102.956829
"924507"	1431.604986	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M-H+CF3COOH"	112.985586
"1300484"	1467.581664	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Cl+CF3COOH"	148.962264
"1371354"	1283.606724	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H-2H2O"	-35.012676
"1391039"	1301.6167	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H-H2O"	-17.0027
"295101"	2638.246076	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+H"	1.007276
"687523"	3956.865476	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+H"	1.007276
"1359496"	1319.626676	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H"	1.007276
"136032"	1319.626676	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+2H"	2.014552
"573772"	1978.936376	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+2H"	2.014552
"1048768"	660.316976	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2H"	2.014552
"215938"	880.086876	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+3H"	3.021828
"656593"	1319.626676	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+3H"	3.021828
"1177840"	440.547076	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+3H"	3.021828
"439339"	2655.272623	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+NH4"	18.033823
"798996"	3973.892023	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+NH4"	18.033823
"1694959"	1336.653223	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+NH4"	18.033823
"343606"	1328.1399495	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+H+NH4"	19.041099
"737368"	1987.4496495	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+H+NH4"	19.041099
"1490576"	668.8302495	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H+NH4"	19.041099
"405608"	2660.228018	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+Na"	22.989218
"765509"	3978.847418	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+Na"	22.989218
"1614335"	1341.608618	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Na"	22.989218
"327292"	1330.617647	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+H+Na"	23.996494
"717888"	1989.927347	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+H+Na"	23.996494
"1473169"	671.307947	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H+Na"	23.996494
"1067760"	447.87439	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2H+Na"	25.00377
"1272234"	1351.652886	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+CH3OH+H"	33.033486
"388861"	2676.201958	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+K"	38.963158
"751680"	3994.821358	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+K"	38.963158
"1551908"	1357.582558	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+K"	38.963158
"312002"	1338.604617	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+H+K"	39.970434
"700411"	1997.914317	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+H+K"	39.970434
"1459701"	679.294917	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H+K"	39.970434
"250490"	2679.272626	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+ACN+H"	42.033826
"1221010"	1360.653226	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+ACN+H"	42.033826
"1204893"	680.830251	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+ACN+2H"	43.041102
"203115"	2682.20996	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+2Na-H"	44.97116
"641714"	4000.82936	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+2Na-H"	44.97116
"1142304"	1363.59056	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2Na-H"	44.97116
"185594"	1341.608618	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+2Na"	45.978436
"625884"	2000.918318	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+2Na"	45.978436
"1129390"	682.298918	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2Na"	45.978436
"1412546"	455.201704	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H+2Na"	46.985712
"1442837"	1365.632146	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H+HCOOH"	47.012746
"235088"	1346.64164	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+3H2O+2H"	56.04448
"1523962"	1379.68419	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+IsoProp+H"	61.06479
"423079"	1349.595588	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+Na+K"	61.952376
"784195"	2008.905288	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+Na+K"	61.952376
"1678334"	690.285888	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Na+K"	61.952376
"263398"	2701.254568	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+ACN+Na"	64.015768
"1237929"	1382.635168	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+ACN+Na"	64.015768
"1719890"	1382.658693	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+NH4+HCOOH"	64.039293
"1187067"	462.529018	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+3Na"	68.967654
"1658782"	1387.614088	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Na+HCOOH"	68.994688
"161268"	2714.15784	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+2K-H"	76.91904
"598644"	4032.77724	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+2K-H"	76.91904
"1086436"	1395.53844	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2K-H"	76.91904
"145438"	1357.582558	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"2M+2K"	77.926316
"584996"	2016.892258	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"3M+2K"	77.926316
"1071700"	698.272858	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2K"	77.926316
"1100409"	1397.552992	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2K+H"	78.933592
"1341295"	1397.640607	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+DMSO+H"	79.021207
"1006783"	1401.679776	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2ACN+H"	83.060376
"1527951"	1402.673408	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+IsoProp+Na+H"	84.054008
"990750"	701.343526	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+2ACN+2H"	84.067652
"1597655"	1403.588028	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+K+HCOOH"	84.968628
"1422219"	1433.619538	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+H+CF3COOH"	115.000138
"1153602"	721.856801	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+3ACN+2H"	125.094202
"1705338"	1450.646085	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+NH4+CF3COOH"	132.026685
"1647557"	1455.60148	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+Na+CF3COOH"	136.98208
"1583207"	1471.57542	"C08987"	"Tubeimoside I"	"C63H98O29"	"1318.6194"	"M+K+CF3COOH"	152.95602
"803732"	456.3603	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M"	0
"977264"	437.34191	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-H2O-H"	-19.01839
"69882"	303.232924	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M-3H"	-3.021828
"510536"	455.353024	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M-3H"	-3.021828
"885056"	151.112824	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-3H"	-3.021828
"3634"	455.353024	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M-2H"	-2.014552
"454132"	683.533174	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M-2H"	-2.014552
"831988"	227.172874	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-2H"	-2.014552
"93397"	911.713324	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M-H"	-1.007276
"532839"	1368.073624	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M-H"	-1.007276
"909546"	455.353024	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-H"	-1.007276
"61128"	928.739871	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M-2H+NH4"	16.019271
"501289"	1385.100171	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M-2H+NH4"	16.019271
"878849"	472.379571	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-2H+NH4"	16.019271
"42372"	933.695266	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M-2H+Na"	20.974666
"484122"	1390.055566	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M-2H+Na"	20.974666
"860828"	477.334966	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-2H+Na"	20.974666
"1632912"	477.334966	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Na-2H"	20.974666
"104703"	473.341363	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M-H+Cl"	33.962126
"543175"	701.521513	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M-H+Cl"	33.962126
"939970"	245.161213	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-H+Cl"	33.962126
"274149"	947.690002	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+Cl"	34.969402
"667665"	1404.050302	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+Cl"	34.969402
"1281161"	491.329702	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Cl"	34.969402
"21532"	949.669206	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M-2H+K"	36.948606
"468748"	1406.029506	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M-2H+K"	36.948606
"843269"	493.308906	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-2H+K"	36.948606
"1561290"	493.308906	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+K-2H"	36.948606
"957886"	501.358494	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-H+HCOOH"	44.998194
"373591"	957.718801	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+HCOOH-H"	44.998201
"358569"	971.734451	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+Hac-H"	59.013851
"1507039"	515.374151	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Hac-H"	59.013851
"972755"	523.340451	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-H+NaCOOH"	66.980151
"122025"	491.329702	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+2Cl"	69.938804
"563777"	719.509852	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+2Cl"	69.938804
"1034394"	263.149552	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2Cl"	69.938804
"1254708"	535.279185	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Br"	78.918885
"1317520"	537.335172	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Cl+HCOOH"	80.974872
"1333192"	559.317129	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Cl+NaCOOH"	102.956829
"924256"	569.345886	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M-H+CF3COOH"	112.985586
"1300596"	605.322564	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Cl+CF3COOH"	148.962264
"1377662"	421.347624	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H-2H2O"	-35.012676
"1396253"	439.3576	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H-H2O"	-17.0027
"297763"	913.727876	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+H"	1.007276
"687634"	1370.088176	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+H"	1.007276
"1358515"	457.367576	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H"	1.007276
"136508"	457.367576	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+2H"	2.014552
"578624"	685.547726	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+2H"	2.014552
"1049244"	229.187426	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2H"	2.014552
"218971"	305.247476	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+3H"	3.021828
"659265"	457.367576	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+3H"	3.021828
"1177755"	153.127376	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+3H"	3.021828
"438838"	930.754423	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+NH4"	18.033823
"800200"	1387.114723	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+NH4"	18.033823
"1695802"	474.394123	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+NH4"	18.033823
"343716"	465.8808495	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+H+NH4"	19.041099
"737597"	694.0609995	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+H+NH4"	19.041099
"1491050"	237.7006995	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H+NH4"	19.041099
"406449"	935.709818	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+Na"	22.989218
"767441"	1392.070118	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+Na"	22.989218
"1616271"	479.349518	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Na"	22.989218
"326675"	468.358547	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+H+Na"	23.996494
"721284"	696.538697	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+H+Na"	23.996494
"1474736"	240.178397	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H+Na"	23.996494
"1068319"	160.45469	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2H+Na"	25.00377
"1271124"	489.393786	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+CH3OH+H"	33.033486
"386783"	951.683758	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+K"	38.963158
"749966"	1408.044058	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+K"	38.963158
"1552386"	495.323458	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+K"	38.963158
"314118"	476.345517	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+H+K"	39.970434
"705996"	704.525667	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+H+K"	39.970434
"1460180"	248.165367	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H+K"	39.970434
"250604"	954.754426	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+ACN+H"	42.033826
"1225262"	498.394126	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+ACN+H"	42.033826
"1208661"	249.700701	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+ACN+2H"	43.041102
"202873"	957.69176	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+2Na-H"	44.97116
"641464"	1414.05206	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+2Na-H"	44.97116
"1143508"	501.33146	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2Na-H"	44.97116
"187532"	479.349518	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+2Na"	45.978436
"625997"	707.529668	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+2Na"	45.978436
"1129868"	251.169368	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2Na"	45.978436
"1411934"	167.782004	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H+2Na"	46.985712
"1444776"	503.373046	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H+HCOOH"	47.012746
"234472"	484.38254	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+3H2O+2H"	56.04448
"1522898"	517.42509	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+IsoProp+H"	61.06479
"423314"	487.336488	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+Na+K"	61.952376
"783216"	715.516638	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+Na+K"	61.952376
"1679910"	259.156338	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Na+K"	61.952376
"264606"	976.736368	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+ACN+Na"	64.015768
"1238770"	520.376068	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+ACN+Na"	64.015768
"1723645"	520.399593	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+NH4+HCOOH"	64.039293
"1190459"	175.109318	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+3Na"	68.967654
"1661080"	525.354988	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Na+HCOOH"	68.994688
"163564"	989.63964	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+2K-H"	76.91904
"604218"	1445.99994	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+2K-H"	76.91904
"1090918"	533.27934	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2K-H"	76.91904
"147737"	495.323458	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"2M+2K"	77.926316
"586202"	723.503608	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"3M+2K"	77.926316
"1072902"	267.143308	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2K"	77.926316
"1105019"	535.293892	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2K+H"	78.933592
"1339216"	535.381507	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+DMSO+H"	79.021207
"1012120"	539.420676	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2ACN+H"	83.060376
"1525141"	540.414308	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+IsoProp+Na+H"	84.054008
"991224"	270.213976	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+2ACN+2H"	84.067652
"1592294"	541.328928	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+K+HCOOH"	84.968628
"1422329"	571.360438	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+H+CF3COOH"	115.000138
"1152619"	290.727251	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+3ACN+2H"	125.094202
"1698888"	588.386985	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+NH4+CF3COOH"	132.026685
"1647667"	593.34238	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+Na+CF3COOH"	136.98208
"1583317"	609.31632	"C08988"	"Ursolic acid"	"C30H48O3"	"456.3603"	"M+K+CF3COOH"	152.95602
"803842"	1236.6139	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M"	0
"974271"	1217.59551	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-H2O-H"	-19.01839
"63673"	823.401990666667	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M-3H"	-3.021828
"510646"	1235.606624	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M-3H"	-3.021828
"885167"	411.197357333333	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-3H"	-3.021828
"7026"	1235.606624	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M-2H"	-2.014552
"454242"	1853.913574	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M-2H"	-2.014552
"832761"	617.299674	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-2H"	-2.014552
"93622"	2472.220524	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M-H"	-1.007276
"534157"	3708.834424	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M-H"	-1.007276
"911157"	1235.606624	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-H"	-1.007276
"62079"	2489.247071	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M-2H+NH4"	16.019271
"502718"	3725.860971	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M-2H+NH4"	16.019271
"879732"	1252.633171	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-2H+NH4"	16.019271
"46909"	2494.202466	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M-2H+Na"	20.974666
"486295"	3730.816366	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M-2H+Na"	20.974666
"860938"	1257.588566	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-2H+Na"	20.974666
"1631563"	1257.588566	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Na-2H"	20.974666
"102627"	1253.594963	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M-H+Cl"	33.962126
"543284"	1871.901913	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M-H+Cl"	33.962126
"938990"	635.288013	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-H+Cl"	33.962126
"271343"	2508.197202	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+Cl"	34.969402
"667776"	3744.811102	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+Cl"	34.969402
"1280178"	1271.583302	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Cl"	34.969402
"29297"	2510.176406	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M-2H+K"	36.948606
"468858"	3746.790306	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M-2H+K"	36.948606
"846297"	1273.562506	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-2H+K"	36.948606
"1567962"	1273.562506	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+K-2H"	36.948606
"958407"	1281.612094	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-H+HCOOH"	44.998194
"375158"	2518.226001	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+HCOOH-H"	44.998201
"359772"	2532.241651	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+Hac-H"	59.013851
"1507876"	1295.627751	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Hac-H"	59.013851
"969946"	1303.594051	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-H+NaCOOH"	66.980151
"125295"	1271.583302	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+2Cl"	69.938804
"563159"	1889.890252	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+2Cl"	69.938804
"1034869"	653.276352	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2Cl"	69.938804
"1254455"	1315.532785	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Br"	78.918885
"1316902"	1317.588772	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Cl+HCOOH"	80.974872
"1331116"	1339.570729	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Cl+NaCOOH"	102.956829
"922544"	1349.599486	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M-H+CF3COOH"	112.985586
"1301801"	1385.576164	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Cl+CF3COOH"	148.962264
"1381056"	1201.601224	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H-2H2O"	-35.012676
"1396368"	1219.6112	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H-H2O"	-17.0027
"294230"	2474.235076	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+H"	1.007276
"687017"	3710.848976	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+H"	1.007276
"1360810"	1237.621176	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H"	1.007276
"135162"	1237.621176	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+2H"	2.014552
"576182"	1855.928126	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+2H"	2.014552
"1048262"	619.314226	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2H"	2.014552
"217986"	825.416542666667	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+3H"	3.021828
"657554"	1237.621176	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+3H"	3.021828
"1176892"	413.211909333333	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+3H"	3.021828
"438465"	2491.261623	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+NH4"	18.033823
"799945"	3727.875523	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+NH4"	18.033823
"1694819"	1254.647723	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+NH4"	18.033823
"344191"	1246.1344495	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+H+NH4"	19.041099
"737341"	1864.4413995	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+H+NH4"	19.041099
"1491527"	627.8274995	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H+NH4"	19.041099
"407653"	2496.217018	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+Na"	22.989218
"769376"	3732.830918	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+Na"	22.989218
"1616013"	1259.603118	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Na"	22.989218
"329092"	1248.612147	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+H+Na"	23.996494
"719565"	1866.919097	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+H+Na"	23.996494
"1474115"	630.305197	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H+Na"	23.996494
"1068266"	420.539223333333	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2H+Na"	25.00377
"1269412"	1269.647386	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+CH3OH+H"	33.033486
"387986"	2512.190958	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+K"	38.963158
"747889"	3748.804858	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+K"	38.963158
"1552496"	1275.577058	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+K"	38.963158
"314056"	1256.599117	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+H+K"	39.970434
"706877"	1874.906067	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+H+K"	39.970434
"1461026"	638.292167	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H+K"	39.970434
"251078"	2515.261626	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+ACN+H"	42.033826
"1225214"	1278.647726	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+ACN+H"	42.033826
"1209495"	639.827501	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+ACN+2H"	43.041102
"202736"	2518.19896	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+2Na-H"	44.97116
"642541"	3754.81286	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+2Na-H"	44.97116
"1145072"	1281.58506	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2Na-H"	44.97116
"186546"	1259.603118	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+2Na"	45.978436
"627567"	1877.910068	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+2Na"	45.978436
"1129977"	641.296168	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2Na"	45.978436
"1412404"	427.866537333333	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H+2Na"	46.985712
"1444889"	1283.626646	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H+HCOOH"	47.012746
"234219"	1264.63614	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+3H2O+2H"	56.04448
"1523009"	1297.67869	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+IsoProp+H"	61.06479
"423383"	1267.590088	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+Na+K"	61.952376
"783326"	1885.897038	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+Na+K"	61.952376
"1677829"	649.283138	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Na+K"	61.952376
"262895"	2537.243568	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+ACN+Na"	64.015768
"1236695"	1300.629668	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+ACN+Na"	64.015768
"1724848"	1300.653193	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+NH4+HCOOH"	64.039293
"1188016"	435.193851333333	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+3Na"	68.967654
"1661189"	1305.608588	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Na+HCOOH"	68.994688
"160395"	2550.14684	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+2K-H"	76.91904
"601050"	3786.76074	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+2K-H"	76.91904
"1091029"	1313.53294	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2K-H"	76.91904
"147847"	1275.577058	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"2M+2K"	77.926316
"584126"	1893.884008	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"3M+2K"	77.926316
"1076293"	657.270108	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2K"	77.926316
"1105129"	1315.547492	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2K+H"	78.933592
"1341514"	1315.635107	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+DMSO+H"	79.021207
"1008950"	1319.674276	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2ACN+H"	83.060376
"1525251"	1320.667908	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+IsoProp+Na+H"	84.054008
"990038"	660.340776	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+2ACN+2H"	84.067652
"1592404"	1321.582528	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+K+HCOOH"	84.968628
"1422439"	1351.614038	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+H+CF3COOH"	115.000138
"1153822"	680.854051	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+3ACN+2H"	125.094202
"1698998"	1368.640585	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+NH4+CF3COOH"	132.026685
"1647777"	1373.59598	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+Na+CF3COOH"	136.98208
"1583427"	1389.56992	"C08989"	"Virgaureasaponin I"	"C59H96O27"	"1236.6139"	"M+K+CF3COOH"	152.95602
"807232"	824.4558	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M"	0
"975297"	805.43741	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-H2O-H"	-19.01839
"64634"	548.629924	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M-3H"	-3.021828
"514036"	823.448524	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M-3H"	-3.021828
"887463"	273.811324	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-3H"	-3.021828
"7136"	823.448524	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M-2H"	-2.014552
"453989"	1235.676424	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M-2H"	-2.014552
"832611"	411.220624	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-2H"	-2.014552
"94021"	1647.904324	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M-H"	-1.007276
"533180"	2472.360124	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M-H"	-1.007276
"909887"	823.448524	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-H"	-1.007276
"62682"	1664.930871	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M-2H+NH4"	16.019271
"502364"	2489.386671	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M-2H+NH4"	16.019271
"879850"	840.475071	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-2H+NH4"	16.019271
"46892"	1669.886266	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M-2H+Na"	20.974666
"486977"	2494.342066	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M-2H+Na"	20.974666
"863964"	845.430466	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-2H+Na"	20.974666
"1633132"	845.430466	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Na-2H"	20.974666
"100550"	841.436863	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M-H+Cl"	33.962126
"540113"	1253.664763	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M-H+Cl"	33.962126
"940194"	429.208963	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-H+Cl"	33.962126
"274369"	1683.881002	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+Cl"	34.969402
"671166"	2508.336802	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+Cl"	34.969402
"1279195"	859.425202	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Cl"	34.969402
"30136"	1685.860206	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M-2H+K"	36.948606
"469697"	2510.316006	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M-2H+K"	36.948606
"847500"	861.404406	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-2H+K"	36.948606
"1568072"	861.404406	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+K-2H"	36.948606
"958229"	869.453994	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-H+HCOOH"	44.998194
"375997"	1693.909801	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+HCOOH-H"	44.998201
"359882"	1707.925451	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+Hac-H"	59.013851
"1507741"	883.469651	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Hac-H"	59.013851
"970056"	891.435951	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-H+NaCOOH"	66.980151
"115685"	859.425202	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+2Cl"	69.938804
"562899"	1271.653102	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+2Cl"	69.938804
"1031698"	447.197302	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2Cl"	69.938804
"1255652"	903.374685	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Br"	78.918885
"1316643"	905.430672	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Cl+HCOOH"	80.974872
"1334140"	927.412629	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Cl+NaCOOH"	102.956829
"924112"	937.441386	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M-H+CF3COOH"	112.985586
"1302641"	973.418064	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Cl+CF3COOH"	148.962264
"1382017"	789.443124	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H-2H2O"	-35.012676
"1396965"	807.4531	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H-H2O"	-17.0027
"296163"	1649.918876	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+H"	1.007276
"687126"	2474.374676	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+H"	1.007276
"1362379"	825.463076	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H"	1.007276
"138553"	825.463076	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+2H"	2.014552
"574468"	1237.690976	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+2H"	2.014552
"1045819"	413.235176	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2H"	2.014552
"218460"	550.644476	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+3H"	3.021828
"658994"	825.463076	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+3H"	3.021828
"1177245"	275.825876	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+3H"	3.021828
"438203"	1666.945423	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+NH4"	18.033823
"800661"	2491.401223	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+NH4"	18.033823
"1695293"	842.489623	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+NH4"	18.033823
"344665"	833.9763495	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+H+NH4"	19.041099
"737086"	1246.2042495	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+H+NH4"	19.041099
"1491514"	421.7484495	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H+NH4"	19.041099
"407032"	1671.900818	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+Na"	22.989218
"769002"	2496.356618	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+Na"	22.989218
"1617705"	847.445018	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Na"	22.989218
"327983"	836.454047	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+H+Na"	23.996494
"719675"	1248.681947	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+H+Na"	23.996494
"1471309"	424.226147	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H+Na"	23.996494
"1067114"	283.15319	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2H+Na"	25.00377
"1270615"	857.489286	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+CH3OH+H"	33.033486
"389190"	1687.874758	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+K"	38.963158
"749459"	2512.330558	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+K"	38.963158
"1552242"	863.418958	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+K"	38.963158
"313962"	844.441017	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+H+K"	39.970434
"706864"	1256.668917	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+H+K"	39.970434
"1460971"	432.213117	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H+K"	39.970434
"251068"	1690.945426	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+ACN+H"	42.033826
"1224631"	866.489626	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+ACN+H"	42.033826
"1208633"	433.748451	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+ACN+2H"	43.041102
"201758"	1693.88276	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+2Na-H"	44.97116
"642773"	2518.33856	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+2Na-H"	44.97116
"1144093"	869.42696	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2Na-H"	44.97116
"186656"	847.445018	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+2Na"	45.978436
"627882"	1259.672918	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+2Na"	45.978436
"1130210"	435.217118	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2Na"	45.978436
"1412878"	290.480504	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H+2Na"	46.985712
"1444513"	871.468546	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H+HCOOH"	47.012746
"233961"	852.47804	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+3H2O+2H"	56.04448
"1523927"	885.52059	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+IsoProp+H"	61.06479
"423532"	855.431988	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+Na+K"	61.952376
"784165"	1267.659888	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+Na+K"	61.952376
"1678671"	443.204088	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Na+K"	61.952376
"264462"	1712.927368	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+ACN+Na"	64.015768
"1237899"	888.471568	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+ACN+Na"	64.015768
"1724958"	888.495093	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+NH4+HCOOH"	64.039293
"1188127"	297.807818	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+3Na"	68.967654
"1661299"	893.450488	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Na+HCOOH"	68.994688
"168159"	1725.83064	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+2K-H"	76.91904
"601161"	2550.28644	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+2K-H"	76.91904
"1089317"	901.37484	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2K-H"	76.91904
"147957"	863.418958	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"2M+2K"	77.926316
"586422"	1275.646858	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"3M+2K"	77.926316
"1076403"	451.191058	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2K"	77.926316
"1105239"	903.389392	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2K+H"	78.933592
"1342717"	903.477007	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+DMSO+H"	79.021207
"1010153"	907.516176	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2ACN+H"	83.060376
"1527184"	908.509808	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+IsoProp+Na+H"	84.054008
"991446"	454.261726	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+2ACN+2H"	84.067652
"1592514"	909.424428	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+K+HCOOH"	84.968628
"1423642"	939.455938	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+H+CF3COOH"	115.000138
"1153932"	474.775001	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+3ACN+2H"	125.094202
"1699108"	956.482485	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+NH4+CF3COOH"	132.026685
"1648980"	961.43788	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+Na+CF3COOH"	136.98208
"1586817"	977.41182	"C08990"	"Yiamoloside B"	"C43H68O15"	"824.4558"	"M+K+CF3COOH"	152.95602
"804062"	980.5345	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M"	0
"975041"	961.51611	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-H2O-H"	-19.01839
"63651"	652.682390666667	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M-3H"	-3.021828
"505398"	979.527224	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M-3H"	-3.021828
"885387"	325.837557333333	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-3H"	-3.021828
"3959"	979.527224	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M-2H"	-2.014552
"447896"	1469.794474	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M-2H"	-2.014552
"832113"	489.259974	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-2H"	-2.014552
"93843"	1960.061724	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M-H"	-1.007276
"532800"	2940.596224	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M-H"	-1.007276
"910357"	979.527224	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-H"	-1.007276
"61088"	1977.088271	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M-2H+NH4"	16.019271
"502108"	2957.622771	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M-2H+NH4"	16.019271
"878932"	996.553771	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-2H+NH4"	16.019271
"46352"	1982.043666	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M-2H+Na"	20.974666
"485181"	2962.578166	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M-2H+Na"	20.974666
"862252"	1001.509166	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-2H+Na"	20.974666
"1632392"	1001.509166	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Na-2H"	20.974666
"99567"	997.515563	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M-H+Cl"	33.962126
"540223"	1487.782813	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M-H+Cl"	33.962126
"940667"	507.248313	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-H+Cl"	33.962126
"274479"	1996.038402	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+Cl"	34.969402
"664715"	2976.572902	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+Cl"	34.969402
"1278212"	1015.503902	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Cl"	34.969402
"28424"	1998.017606	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M-2H+K"	36.948606
"470172"	2978.552106	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M-2H+K"	36.948606
"845787"	1017.483106	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-2H+K"	36.948606
"1568547"	1017.483106	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+K-2H"	36.948606
"955338"	1025.532694	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-H+HCOOH"	44.998194
"376354"	2006.067201	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+HCOOH-H"	44.998201
"361089"	2020.082851	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+Hac-H"	59.013851
"1508096"	1039.548351	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Hac-H"	59.013851
"966886"	1047.514651	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-H+NaCOOH"	66.980151
"116888"	1015.503902	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+2Cl"	69.938804
"563009"	1505.771152	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+2Cl"	69.938804
"1031808"	525.236652	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2Cl"	69.938804
"1255762"	1059.453385	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Br"	78.918885
"1316753"	1061.509372	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Cl+HCOOH"	80.974872
"1334614"	1083.491329	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Cl+NaCOOH"	102.956829
"924950"	1093.520086	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M-H+CF3COOH"	112.985586
"1303763"	1129.496764	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Cl+CF3COOH"	148.962264
"1382129"	945.521824	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H-2H2O"	-35.012676
"1396590"	963.5318	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H-H2O"	-17.0027
"296274"	1962.076276	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+H"	1.007276
"687601"	2942.610776	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+H"	1.007276
"1361030"	981.541776	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H"	1.007276
"137571"	981.541776	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+2H"	2.014552
"571297"	1471.809026	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+2H"	2.014552
"1043377"	491.274526	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2H"	2.014552
"218206"	654.696942666667	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+3H"	3.021828
"657768"	981.541776	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+3H"	3.021828
"1176623"	327.852109333333	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+3H"	3.021828
"432234"	1979.102823	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+NH4"	18.033823
"797971"	2959.637323	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+NH4"	18.033823
"1694672"	998.568323	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+NH4"	18.033823
"343680"	990.0550495	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+H+NH4"	19.041099
"737196"	1480.3222995	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+H+NH4"	19.041099
"1491991"	499.7877995	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H+NH4"	19.041099
"404954"	1984.058218	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+Na"	22.989218
"764127"	2964.592718	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+Na"	22.989218
"1617819"	1003.523718	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Na"	22.989218
"325906"	992.532747	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+H+Na"	23.996494
"718693"	1482.799997	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+H+Na"	23.996494
"1471419"	502.265497	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H+Na"	23.996494
"1064309"	335.179423333333	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2H+Na"	25.00377
"1268540"	1013.567986	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+CH3OH+H"	33.033486
"385656"	2000.032158	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+K"	38.963158
"749205"	2980.566658	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+K"	38.963158
"1554297"	1019.497658	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+K"	38.963158
"313785"	1000.519717	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+H+K"	39.970434
"707020"	1490.786967	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+H+K"	39.970434
"1461177"	510.252467	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H+K"	39.970434
"251059"	2003.102826	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+ACN+H"	42.033826
"1224865"	1022.568326	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+ACN+H"	42.033826
"1208986"	511.787801	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+ACN+2H"	43.041102
"202592"	2006.04016	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+2Na-H"	44.97116
"641425"	2986.57466	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+2Na-H"	44.97116
"1143474"	1025.50566	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2Na-H"	44.97116
"186036"	1003.523718	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+2Na"	45.978436
"626691"	1493.790968	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+2Na"	45.978436
"1129466"	513.256468	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2Na"	45.978436
"1411532"	342.506737333333	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H+2Na"	46.985712
"1444375"	1027.547246	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H+HCOOH"	47.012746
"234316"	1008.55674	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+3H2O+2H"	56.04448
"1523833"	1041.59929	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+IsoProp+H"	61.06479
"422181"	1011.510688	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+Na+K"	61.952376
"782811"	1501.777938	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+Na+K"	61.952376
"1676952"	521.243438	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Na+K"	61.952376
"264569"	2025.084768	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+ACN+Na"	64.015768
"1239342"	1044.550268	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+ACN+Na"	64.015768
"1718507"	1044.573793	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+NH4+HCOOH"	64.039293
"1189330"	349.834051333333	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+3Na"	68.967654
"1661409"	1049.529188	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Na+HCOOH"	68.994688
"164991"	2037.98804	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+2K-H"	76.91904
"603458"	3018.52254	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+2K-H"	76.91904
"1090157"	1057.45354	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2K-H"	76.91904
"150254"	1019.497658	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"2M+2K"	77.926316
"586532"	1509.764908	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"3M+2K"	77.926316
"1076513"	529.230408	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2K"	77.926316
"1106442"	1059.468092	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2K+H"	78.933592
"1339547"	1059.555707	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+DMSO+H"	79.021207
"1008077"	1063.594876	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2ACN+H"	83.060376
"1525108"	1064.588508	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+IsoProp+Na+H"	84.054008
"992649"	532.301076	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+2ACN+2H"	84.067652
"1592624"	1065.503128	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+K+HCOOH"	84.968628
"1420472"	1095.534638	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+H+CF3COOH"	115.000138
"1154042"	552.814351	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+3ACN+2H"	125.094202
"1704685"	1112.561185	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+NH4+CF3COOH"	132.026685
"1645809"	1117.51658	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+Na+CF3COOH"	136.98208
"1586927"	1133.49052	"C08991"	"Ziziphin"	"C51H80O18"	"980.5345"	"M+K+CF3COOH"	152.95602
"804172"	202.0994	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M"	0
"975516"	183.08101	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-H2O-H"	-19.01839
"64125"	133.725657333333	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M-3H"	-3.021828
"505508"	201.092124	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M-3H"	-3.021828
"885497"	66.3591906666667	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-3H"	-3.021828
"4069"	201.092124	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M-2H"	-2.014552
"441442"	302.141824	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M-2H"	-2.014552
"829091"	100.042424	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-2H"	-2.014552
"92853"	403.191524	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M-H"	-1.007276
"533512"	605.290924	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M-H"	-1.007276
"910704"	201.092124	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-H"	-1.007276
"61319"	420.218071	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M-2H+NH4"	16.019271
"501365"	622.317471	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M-2H+NH4"	16.019271
"877099"	218.118671	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-2H+NH4"	16.019271
"42813"	425.173466	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M-2H+Na"	20.974666
"482005"	627.272866	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M-2H+Na"	20.974666
"857987"	223.074066	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-2H+Na"	20.974666
"1626428"	223.074066	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Na-2H"	20.974666
"99676"	219.080463	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M-H+Cl"	33.962126
"537047"	320.130163	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M-H+Cl"	33.962126
"933847"	118.030763	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-H+Cl"	33.962126
"272402"	439.168202	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+Cl"	34.969402
"661055"	641.267602	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+Cl"	34.969402
"1284883"	237.068802	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Cl"	34.969402
"25252"	441.147406	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M-2H+K"	36.948606
"462627"	643.246806	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M-2H+K"	36.948606
"841522"	239.048006	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-2H+K"	36.948606
"1566105"	239.048006	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+K-2H"	36.948606
"955812"	247.097594	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-H+HCOOH"	44.998194
"376461"	449.197001	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+HCOOH-H"	44.998201
"360465"	463.212651	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+Hac-H"	59.013851
"1507838"	261.113251	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Hac-H"	59.013851
"966996"	269.079551	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-H+NaCOOH"	66.980151
"115905"	237.068802	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+2Cl"	69.938804
"559839"	338.118502	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+2Cl"	69.938804
"1031918"	136.019102	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2Cl"	69.938804
"1249310"	281.018285	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Br"	78.918885
"1312852"	283.074272	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Cl+HCOOH"	80.974872
"1333631"	305.056229	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Cl+NaCOOH"	102.956829
"925060"	315.084986	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M-H+CF3COOH"	112.985586
"1302494"	351.061664	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Cl+CF3COOH"	148.962264
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"433437"	422.232623	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+NH4"	18.033823
"798445"	624.332023	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+NH4"	18.033823
"1694781"	220.133223	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+NH4"	18.033823
"344154"	211.6199495	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+H+NH4"	19.041099
"736824"	312.6696495	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+H+NH4"	19.041099
"1491738"	110.5702495	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+H+NH4"	19.041099
"405064"	427.188018	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+Na"	22.989218
"764237"	629.287418	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+Na"	22.989218
"1617444"	225.088618	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Na"	22.989218
"326380"	214.097647	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+H+Na"	23.996494
"719532"	315.147347	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+H+Na"	23.996494
"1471529"	113.047947	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+H+Na"	23.996494
"1066241"	75.7010566666667	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2H+Na"	25.00377
"1269378"	235.132886	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+CH3OH+H"	33.033486
"386496"	443.161958	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+K"	38.963158
"750773"	645.261358	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+K"	38.963158
"1554407"	241.062558	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+K"	38.963158
"312194"	222.084617	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+H+K"	39.970434
"706436"	323.134317	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+H+K"	39.970434
"1459770"	121.034917	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+H+K"	39.970434
"250072"	446.232626	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+ACN+H"	42.033826
"1222657"	244.133226	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+ACN+H"	42.033826
"1208366"	122.570251	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+ACN+2H"	43.041102
"200509"	449.16996	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+2Na-H"	44.97116
"639710"	651.26936	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+2Na-H"	44.97116
"1142124"	247.07056	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2Na-H"	44.97116
"186510"	225.088618	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+2Na"	45.978436
"625705"	326.138318	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+2Na"	45.978436
"1128115"	124.038918	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2Na"	45.978436
"1411274"	83.0283706666667	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+H+2Na"	46.985712
"1442659"	249.112146	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+H+HCOOH"	47.012746
"231994"	230.12164	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+3H2O+2H"	56.04448
"1520052"	263.16419	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+IsoProp+H"	61.06479
"421561"	233.075588	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+Na+K"	61.952376
"782192"	334.125288	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+Na+K"	61.952376
"1675969"	132.025888	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Na+K"	61.952376
"262854"	468.214568	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+ACN+Na"	64.015768
"1235199"	266.115168	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+ACN+Na"	64.015768
"1724084"	266.138693	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+NH4+HCOOH"	64.039293
"1189438"	90.3556846666667	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+3Na"	68.967654
"1662610"	271.094088	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Na+HCOOH"	68.994688
"159632"	481.11784	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+2K-H"	76.91904
"602473"	683.21724	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+2K-H"	76.91904
"1088079"	279.01844	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2K-H"	76.91904
"145987"	241.062558	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"2M+2K"	77.926316
"583358"	342.112258	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"3M+2K"	77.926316
"1068567"	140.012858	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2K"	77.926316
"1102177"	281.032992	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2K+H"	78.933592
"1337470"	281.120607	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+DMSO+H"	79.021207
"1009280"	285.159776	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2ACN+H"	83.060376
"1524728"	286.153408	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+IsoProp+Na+H"	84.054008
"992758"	143.083526	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+2ACN+2H"	84.067652
"1593827"	287.068028	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+K+HCOOH"	84.968628
"1420582"	317.099538	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+H+CF3COOH"	115.000138
"1157432"	163.596801	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+3ACN+2H"	125.094202
"1704795"	334.126085	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+NH4+CF3COOH"	132.026685
"1639359"	339.08148	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+Na+CF3COOH"	136.98208
"1583757"	355.05542	"C08992"	"Tremetone"	"C13H14O2"	"202.0994"	"M+K+CF3COOH"	152.95602
"809751"	270.0892	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M"	0
"981096"	251.07081	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"67153"	179.052190666667	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"507806"	269.081924	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"884512"	89.0224573333333	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"7460"	269.081924	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"445929"	404.126524	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"832760"	134.037324	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"93454"	539.171124	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"534147"	809.260324	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"910940"	269.081924	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"62035"	556.197671	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"501229"	826.286871	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"877210"	286.108471	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"41833"	561.153066	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"482483"	831.242266	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"858099"	291.063866	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1626538"	291.063866	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"103066"	287.070263	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"537521"	422.114863	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"927879"	152.025663	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"274700"	575.147802	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"660923"	845.237002	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1284993"	305.058602	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"25362"	577.127006	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"456414"	847.216206	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"837258"	307.037806	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1558193"	307.037806	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"945349"	315.087394	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"376329"	585.176601	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"359482"	599.192251	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1503937"	329.103051	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"966012"	337.069351	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"119294"	305.058602	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"556668"	440.103202	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1028748"	170.014002	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1252702"	349.008085	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1312962"	351.064072	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1334838"	373.046029	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"925528"	383.074786	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1304066"	419.051464	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1381493"	235.076524	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1395710"	253.0865	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"298234"	541.185676	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"688549"	811.274876	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1362344"	271.096476	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"137425"	271.096476	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"570422"	406.141076	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1043596"	136.051876	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"216239"	181.066742666667	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"655800"	271.096476	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1178058"	91.0370093333333	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"432454"	558.212223	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"798192"	828.301423	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1695253"	288.123023	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"345319"	279.6097495	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"737986"	414.6543495	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1492127"	144.5651495	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"406266"	563.167618	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"765075"	833.256818	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1617793"	293.078418	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"326127"	282.087447	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"719641"	417.132047	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1471639"	147.042847	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1066838"	98.3643233333333	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1271434"	303.122686	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"388429"	579.141558	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"750883"	849.230758	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1554275"	309.052358	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"312666"	290.074417	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"705575"	425.119017	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1460246"	155.029817	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"251033"	582.212226	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1225366"	312.123026	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1208842"	156.565151	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"201591"	585.14956	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"642008"	855.23876	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1144420"	315.06036	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"186983"	293.078418	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"625450"	428.123018	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1127132"	158.033818	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1410654"	105.691637333333	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1440945"	317.101946	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"233196"	298.11144	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1521985"	331.15399	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"422402"	301.065388	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"784851"	436.109988	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1680454"	166.020788	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"265514"	604.194168	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1237495"	334.104968	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1718727"	334.128493	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1189548"	113.018951333333	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1662720"	339.083888	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"160835"	617.09744	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"602583"	887.18664	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1088189"	347.00824	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"146097"	309.052358	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"582499"	444.096958	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1068629"	174.007758	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1100462"	349.022792	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1337580"	349.110407	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1008297"	353.149576	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1526422"	354.143208	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"991410"	177.078426	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1593937"	355.057828	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1420692"	385.089338	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1157542"	197.591701	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1701625"	402.115885	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1634361"	407.07128	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1583867"	423.04522	"C08993"	"Vignafuran"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"809861"	394.1264	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M"	0
"977926"	375.10801	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-H2O-H"	-19.01839
"63372"	261.743657333333	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M-3H"	-3.021828
"507916"	393.119124	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M-3H"	-3.021828
"885715"	130.368190666667	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-3H"	-3.021828
"4290"	393.119124	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M-2H"	-2.014552
"447132"	590.182324	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M-2H"	-2.014552
"831867"	196.055924	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-2H"	-2.014552
"92354"	787.245524	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M-H"	-1.007276
"530703"	1181.371924	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M-H"	-1.007276
"910930"	393.119124	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-H"	-1.007276
"61051"	804.272071	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M-2H+NH4"	16.019271
"498427"	1198.398471	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M-2H+NH4"	16.019271
"877320"	410.145671	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-2H+NH4"	16.019271
"43035"	809.227466	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M-2H+Na"	20.974666
"481502"	1203.353866	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M-2H+Na"	20.974666
"857116"	415.101066	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-2H+Na"	20.974666
"1623367"	415.101066	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Na-2H"	20.974666
"98803"	411.107463	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M-H+Cl"	33.962126
"543827"	608.170663	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M-H+Cl"	33.962126
"929691"	214.044263	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-H+Cl"	33.962126
"273717"	823.222202	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+Cl"	34.969402
"666139"	1217.348602	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+Cl"	34.969402
"1279636"	429.095802	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Cl"	34.969402
"22192"	825.201406	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M-2H+K"	36.948606
"458835"	1219.327806	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M-2H+K"	36.948606
"836640"	431.075006	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-2H+K"	36.948606
"1558667"	431.075006	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+K-2H"	36.948606
"948739"	439.124594	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-H+HCOOH"	44.998194
"368049"	833.251001	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+HCOOH-H"	44.998201
"360319"	847.266651	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+Hac-H"	59.013851
"1506965"	453.140251	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Hac-H"	59.013851
"968309"	461.106551	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-H+NaCOOH"	66.980151
"117217"	429.095802	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+2Cl"	69.938804
"557142"	626.159002	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+2Cl"	69.938804
"1032139"	232.032602	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2Cl"	69.938804
"1252813"	473.045285	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Br"	78.918885
"1314897"	475.101272	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Cl+HCOOH"	80.974872
"1334953"	497.083229	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Cl+NaCOOH"	102.956829
"926254"	507.111986	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M-H+CF3COOH"	112.985586
"1303447"	543.088664	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Cl+CF3COOH"	148.962264
"1380509"	359.113724	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H-2H2O"	-35.012676
"1398010"	377.1237	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H-H2O"	-17.0027
"292590"	789.260076	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+H"	1.007276
"688296"	1183.386476	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+H"	1.007276
"1358082"	395.133676	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H"	1.007276
"135345"	395.133676	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+2H"	2.014552
"570532"	592.196876	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+2H"	2.014552
"1040791"	198.070476	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2H"	2.014552
"216348"	263.758209333333	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+3H"	3.021828
"656638"	395.133676	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+3H"	3.021828
"1175493"	132.382742666667	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+3H"	3.021828
"432564"	806.286623	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+NH4"	18.033823
"797935"	1200.413023	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+NH4"	18.033823
"1693172"	412.160223	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+NH4"	18.033823
"343276"	403.6469495	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+H+NH4"	19.041099
"737885"	600.7101495	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+H+NH4"	19.041099
"1491830"	206.5837495	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H+NH4"	19.041099
"407470"	811.242018	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+Na"	22.989218
"767006"	1205.368418	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+Na"	22.989218
"1615105"	417.115618	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Na"	22.989218
"325505"	406.124647	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+H+Na"	23.996494
"717929"	603.187847	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+H+Na"	23.996494
"1475760"	209.061447	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H+Na"	23.996494
"1068369"	139.710056666667	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2H+Na"	25.00377
"1272714"	427.159886	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+CH3OH+H"	33.033486
"390723"	827.215958	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+K"	38.963158
"753545"	1221.342358	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+K"	38.963158
"1554872"	433.089558	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+K"	38.963158
"314072"	414.111617	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+H+K"	39.970434
"707013"	611.174817	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+H+K"	39.970434
"1460843"	217.048417	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H+K"	39.970434
"251349"	830.286626	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+ACN+H"	42.033826
"1225311"	436.160226	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+ACN+H"	42.033826
"1209195"	218.583751	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+ACN+2H"	43.041102
"201824"	833.22396	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+2Na-H"	44.97116
"641752"	1227.35036	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+2Na-H"	44.97116
"1144895"	439.09756	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2Na-H"	44.97116
"186851"	417.115618	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+2Na"	45.978436
"626656"	614.178818	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+2Na"	45.978436
"1129429"	220.052418	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2Na"	45.978436
"1412587"	147.037370666667	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H+2Na"	46.985712
"1442516"	441.139146	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H+HCOOH"	47.012746
"232212"	422.14864	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+3H2O+2H"	56.04448
"1522097"	455.19119	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+IsoProp+H"	61.06479
"422635"	425.102588	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+Na+K"	61.952376
"784966"	622.165788	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+Na+K"	61.952376
"1680083"	228.039388	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Na+K"	61.952376
"263803"	852.268568	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+ACN+Na"	64.015768
"1238701"	458.142168	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+ACN+Na"	64.015768
"1725765"	458.165693	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+NH4+HCOOH"	64.039293
"1191843"	154.364684666667	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+3Na"	68.967654
"1663803"	463.121088	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Na+HCOOH"	68.994688
"165317"	865.17184	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+2K-H"	76.91904
"605971"	1259.29824	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+2K-H"	76.91904
"1092672"	471.04544	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2K-H"	76.91904
"152770"	433.089558	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"2M+2K"	77.926316
"589050"	630.152758	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"3M+2K"	77.926316
"1076841"	236.026358	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2K"	77.926316
"1101543"	473.059992	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2K+H"	78.933592
"1337442"	473.147607	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+DMSO+H"	79.021207
"1008405"	477.186776	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2ACN+H"	83.060376
"1530904"	478.180408	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+IsoProp+Na+H"	84.054008
"997352"	239.097026	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+2ACN+2H"	84.067652
"1592954"	479.095028	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+K+HCOOH"	84.968628
"1418615"	509.126538	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+H+CF3COOH"	115.000138
"1154372"	259.610301	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+3ACN+2H"	125.094202
"1701735"	526.153085	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+NH4+CF3COOH"	132.026685
"1635201"	531.10848	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+Na+CF3COOH"	136.98208
"1583977"	547.08242	"C08994"	"Aloesin"	"C19H22O9"	"394.1264"	"M+K+CF3COOH"	152.95602
"811065"	556.1369	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M"	0
"987879"	537.11851	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-H2O-H"	-19.01839
"76851"	369.750657333333	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M-3H"	-3.021828
"511308"	555.129624	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M-3H"	-3.021828
"891297"	184.371690666667	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-3H"	-3.021828
"9872"	555.129624	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M-2H"	-2.014552
"453703"	833.198074	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M-2H"	-2.014552
"831987"	277.061174	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-2H"	-2.014552
"89432"	1111.266524	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M-H"	-1.007276
"530814"	1667.403424	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M-H"	-1.007276
"908978"	555.129624	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-H"	-1.007276
"61528"	1128.293071	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M-2H+NH4"	16.019271
"499631"	1684.429971	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M-2H+NH4"	16.019271
"877797"	572.156171	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-2H+NH4"	16.019271
"46425"	1133.248466	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M-2H+Na"	20.974666
"486557"	1689.385366	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M-2H+Na"	20.974666
"862694"	577.111566	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-2H+Na"	20.974666
"1632226"	577.111566	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Na-2H"	20.974666
"108633"	573.117963	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M-H+Cl"	33.962126
"547224"	851.186413	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M-H+Cl"	33.962126
"937459"	295.049513	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-H+Cl"	33.962126
"271639"	1147.243202	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+Cl"	34.969402
"662968"	1703.380102	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+Cl"	34.969402
"1283028"	591.106302	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Cl"	34.969402
"24490"	1149.222406	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M-2H+K"	36.948606
"471309"	1705.359306	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M-2H+K"	36.948606
"848361"	593.085506	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-2H+K"	36.948606
"1566436"	593.085506	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+K-2H"	36.948606
"955049"	601.135094	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-H+HCOOH"	44.998194
"376594"	1157.272001	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+HCOOH-H"	44.998201
"360314"	1171.287651	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+Hac-H"	59.013851
"1506346"	615.150751	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Hac-H"	59.013851
"970610"	623.117051	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-H+NaCOOH"	66.980151
"121344"	591.106302	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+2Cl"	69.938804
"564181"	869.174752	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+2Cl"	69.938804
"1034439"	313.037852	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2Cl"	69.938804
"1253659"	635.055785	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Br"	78.918885
"1318292"	637.111772	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Cl+HCOOH"	80.974872
"1332876"	659.093729	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Cl+NaCOOH"	102.956829
"925756"	669.122486	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M-H+CF3COOH"	112.985586
"1303925"	705.099164	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Cl+CF3COOH"	148.962264
"1380624"	521.124224	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H-2H2O"	-35.012676
"1397883"	539.1342	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H-H2O"	-17.0027
"298407"	1113.281076	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+H"	1.007276
"691127"	1669.417976	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+H"	1.007276
"1361840"	557.144176	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H"	1.007276
"136917"	557.144176	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+2H"	2.014552
"578666"	835.212626	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+2H"	2.014552
"1049289"	279.075726	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2H"	2.014552
"218286"	371.765209333333	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+3H"	3.021828
"659106"	557.144176	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+3H"	3.021828
"1177066"	186.386242666667	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+3H"	3.021828
"439125"	1130.307623	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+NH4"	18.033823
"800241"	1686.444523	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+NH4"	18.033823
"1696779"	574.170723	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+NH4"	18.033823
"345427"	565.6574495	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+H+NH4"	19.041099
"738243"	843.7258995	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+H+NH4"	19.041099
"1492429"	287.5889995	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H+NH4"	19.041099
"405396"	1135.263018	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+Na"	22.989218
"765296"	1691.399918	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+Na"	22.989218
"1615215"	579.126118	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Na"	22.989218
"325981"	568.135147	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+H+Na"	23.996494
"719138"	846.203597	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+H+Na"	23.996494
"1475999"	290.066697	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H+Na"	23.996494
"1064026"	193.713556666667	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2H+Na"	25.00377
"1271858"	589.170386	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+CH3OH+H"	33.033486
"389745"	1151.236958	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+K"	38.963158
"751835"	1707.373858	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+K"	38.963158
"1553887"	595.100058	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+K"	38.963158
"313130"	576.122117	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+H+K"	39.970434
"706769"	854.190567	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+H+K"	39.970434
"1459132"	298.053667	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H+K"	39.970434
"247006"	1154.307626	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+ACN+H"	42.033826
"1223725"	598.170726	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+ACN+H"	42.033826
"1207245"	299.589001	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+ACN+2H"	43.041102
"202306"	1157.24496	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+2Na-H"	44.97116
"642234"	1713.38186	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+2Na-H"	44.97116
"1145862"	601.10806	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2Na-H"	44.97116
"187573"	579.126118	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+2Na"	45.978436
"627375"	857.194568	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+2Na"	45.978436
"1130634"	301.057668	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2Na"	45.978436
"1413190"	201.040870666667	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H+2Na"	46.985712
"1444087"	603.149646	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H+HCOOH"	47.012746
"233416"	584.15914	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+3H2O+2H"	56.04448
"1522573"	617.20169	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+IsoProp+H"	61.06479
"424042"	587.113088	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+Na+K"	61.952376
"785443"	865.181538	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+Na+K"	61.952376
"1681045"	309.044638	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Na+K"	61.952376
"267079"	1176.289568	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+ACN+Na"	64.015768
"1240634"	620.152668	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+ACN+Na"	64.015768
"1726602"	620.176193	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+NH4+HCOOH"	64.039293
"1190864"	208.368184666667	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+3Na"	68.967654
"1665008"	625.131588	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Na+HCOOH"	68.994688
"165428"	1189.19284	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+2K-H"	76.91904
"603898"	1745.32974	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+2K-H"	76.91904
"1090597"	633.05594	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2K-H"	76.91904
"148507"	595.100058	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"2M+2K"	77.926316
"586973"	873.168508	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"3M+2K"	77.926316
"1075859"	317.031608	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2K"	77.926316
"1103601"	635.070492	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2K+H"	78.933592
"1338893"	635.158107	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+DMSO+H"	79.021207
"1009975"	639.197276	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2ACN+H"	83.060376
"1527735"	640.190908	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+IsoProp+Na+H"	84.054008
"993089"	320.102276	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+2ACN+2H"	84.067652
"1593064"	641.105528	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+K+HCOOH"	84.968628
"1418725"	671.137038	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+H+CF3COOH"	115.000138
"1154482"	340.615551	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+3ACN+2H"	125.094202
"1701845"	688.163585	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+NH4+CF3COOH"	132.026685
"1635675"	693.11898	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+Na+CF3COOH"	136.98208
"1584087"	709.09292	"C08995"	"Aurasperone D"	"C31H24O10"	"556.1369"	"M+K+CF3COOH"	152.95602
"807894"	354.0951	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M"	0
"975959"	335.07671	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-H2O-H"	-19.01839
"63468"	235.056124	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M-3H"	-3.021828
"507042"	353.087824	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M-3H"	-3.021828
"883752"	117.024424	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-3H"	-3.021828
"6698"	353.087824	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M-2H"	-2.014552
"452823"	530.135374	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M-2H"	-2.014552
"830268"	176.040274	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-2H"	-2.014552
"94272"	707.182924	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M-H"	-1.007276
"533958"	1061.278024	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M-H"	-1.007276
"909090"	353.087824	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-H"	-1.007276
"61397"	724.209471	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M-2H+NH4"	16.019271
"501687"	1078.304571	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M-2H+NH4"	16.019271
"879450"	370.114371	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-2H+NH4"	16.019271
"46903"	729.164866	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M-2H+Na"	20.974666
"486096"	1083.259966	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M-2H+Na"	20.974666
"861710"	375.069766	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-2H+Na"	20.974666
"1632336"	375.069766	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Na-2H"	20.974666
"106678"	371.076163	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M-H+Cl"	33.962126
"544053"	548.123713	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M-H+Cl"	33.962126
"937569"	194.028613	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-H+Cl"	33.962126
"269926"	743.159602	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+Cl"	34.969402
"662713"	1097.254702	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+Cl"	34.969402
"1283138"	389.064502	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Cl"	34.969402
"25693"	745.138806	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M-2H+K"	36.948606
"469996"	1099.233906	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M-2H+K"	36.948606
"848046"	391.043706	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-2H+K"	36.948606
"1566182"	391.043706	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+K-2H"	36.948606
"955159"	399.093294	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-H+HCOOH"	44.998194
"376854"	753.188401	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+HCOOH-H"	44.998201
"360544"	767.204051	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+Hac-H"	59.013851
"1506456"	413.108951	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Hac-H"	59.013851
"972907"	421.075251	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-H+NaCOOH"	66.980151
"122548"	389.064502	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+2Cl"	69.938804
"562469"	566.112052	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+2Cl"	69.938804
"1033456"	212.016952	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2Cl"	69.938804
"1255225"	433.013985	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Br"	78.918885
"1318400"	435.069972	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Cl+HCOOH"	80.974872
"1333715"	457.051929	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Cl+NaCOOH"	102.956829
"926233"	467.080686	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M-H+CF3COOH"	112.985586
"1304154"	503.057364	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Cl+CF3COOH"	148.962264
"1380734"	319.082424	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H-2H2O"	-35.012676
"1398390"	337.0924	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H-H2O"	-17.0027
"298500"	709.197476	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+H"	1.007276
"691285"	1063.292576	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+H"	1.007276
"1364138"	355.102376	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H"	1.007276
"136663"	355.102376	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+2H"	2.014552
"580843"	532.149926	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+2H"	2.014552
"1051954"	178.054826	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2H"	2.014552
"218760"	237.070676	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+3H"	3.021828
"659412"	355.102376	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+3H"	3.021828
"1176812"	119.038976	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+3H"	3.021828
"438628"	726.224023	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+NH4"	18.033823
"800714"	1080.319123	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+NH4"	18.033823
"1696196"	372.128923	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+NH4"	18.033823
"345569"	363.6156495	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+H+NH4"	19.041099
"736650"	540.6631995	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+H+NH4"	19.041099
"1491567"	186.5680995	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H+NH4"	19.041099
"406600"	731.179418	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+Na"	22.989218
"766500"	1085.274518	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+Na"	22.989218
"1617151"	377.084318	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Na"	22.989218
"324632"	366.093347	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+H+Na"	23.996494
"717061"	543.140897	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+H+Na"	23.996494
"1476718"	189.045797	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H+Na"	23.996494
"1068190"	126.36629	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2H+Na"	25.00377
"1272011"	387.128586	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+CH3OH+H"	33.033486
"390949"	747.153358	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+K"	38.963158
"747573"	1101.248458	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+K"	38.963158
"1551814"	393.058258	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+K"	38.963158
"312271"	374.080317	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+H+K"	39.970434
"706395"	551.127867	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+H+K"	39.970434
"1458153"	197.032767	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H+K"	39.970434
"246756"	750.224026	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+ACN+H"	42.033826
"1223109"	396.128926	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+ACN+H"	42.033826
"1207727"	198.568101	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+ACN+2H"	43.041102
"202783"	753.16136	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+2Na-H"	44.97116
"643440"	1107.25646	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+2Na-H"	44.97116
"1146584"	399.06626	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2Na-H"	44.97116
"187563"	377.084318	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+2Na"	45.978436
"627848"	554.131868	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+2Na"	45.978436
"1130748"	200.036768	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2Na"	45.978436
"1413540"	133.693604	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H+2Na"	46.985712
"1444201"	401.107846	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H+HCOOH"	47.012746
"235309"	382.11734	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+3H2O+2H"	56.04448
"1523979"	415.15989	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+IsoProp+H"	61.06479
"424110"	385.071288	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+Na+K"	61.952376
"785068"	562.118838	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+Na+K"	61.952376
"1680790"	208.023738	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Na+K"	61.952376
"266215"	772.205968	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+ACN+Na"	64.015768
"1241155"	418.110868	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+ACN+Na"	64.015768
"1728424"	418.134393	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+NH4+HCOOH"	64.039293
"1194020"	141.020918	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+3Na"	68.967654
"1664996"	423.089788	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Na+HCOOH"	68.994688
"163354"	785.10924	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+2K-H"	76.91904
"604009"	1139.20434	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+2K-H"	76.91904
"1093989"	431.01414	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2K-H"	76.91904
"148618"	393.058258	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"2M+2K"	77.926316
"585990"	570.105808	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"3M+2K"	77.926316
"1072689"	216.010708	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2K"	77.926316
"1103711"	433.028692	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2K+H"	78.933592
"1339003"	433.116307	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+DMSO+H"	79.021207
"1010085"	437.155476	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2ACN+H"	83.060376
"1527845"	438.149108	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+IsoProp+Na+H"	84.054008
"991741"	219.081376	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+2ACN+2H"	84.067652
"1590258"	439.063728	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+K+HCOOH"	84.968628
"1418835"	469.095238	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+H+CF3COOH"	115.000138
"1154592"	239.594651	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+3ACN+2H"	125.094202
"1699768"	486.121785	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+NH4+CF3COOH"	132.026685
"1634693"	491.07718	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+Na+CF3COOH"	136.98208
"1584197"	507.05112	"C08996"	"Biflorin"	"C16H18O9"	"354.0951"	"M+K+CF3COOH"	152.95602
"808004"	470.1941	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M"	0
"979348"	451.17571	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-H2O-H"	-19.01839
"63103"	312.455457333333	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M-3H"	-3.021828
"503261"	469.186824	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M-3H"	-3.021828
"880213"	155.724090666667	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-3H"	-3.021828
"240"	469.186824	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M-2H"	-2.014552
"441993"	704.283874	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M-2H"	-2.014552
"825267"	234.089774	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-2H"	-2.014552
"89635"	939.380924	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M-H"	-1.007276
"533210"	1409.575024	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M-H"	-1.007276
"909919"	469.186824	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-H"	-1.007276
"61994"	956.407471	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M-2H+NH4"	16.019271
"501794"	1426.601571	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M-2H+NH4"	16.019271
"879233"	486.213371	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-2H+NH4"	16.019271
"46282"	961.362866	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M-2H+Na"	20.974666
"486573"	1431.556966	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M-2H+Na"	20.974666
"862914"	491.168766	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-2H+Na"	20.974666
"1631352"	491.168766	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Na-2H"	20.974666
"104600"	487.175163	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M-H+Cl"	33.962126
"547443"	722.272213	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M-H+Cl"	33.962126
"934397"	252.078113	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-H+Cl"	33.962126
"275141"	975.357602	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+Cl"	34.969402
"665376"	1445.551702	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+Cl"	34.969402
"1282154"	505.163502	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Cl"	34.969402
"30183"	977.336806	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M-2H+K"	36.948606
"470107"	1447.530906	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M-2H+K"	36.948606
"845719"	507.142706	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-2H+K"	36.948606
"1566292"	507.142706	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+K-2H"	36.948606
"954905"	515.192294	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-H+HCOOH"	44.998194
"373856"	985.386401	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+HCOOH-H"	44.998201
"358832"	999.402051	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+Hac-H"	59.013851
"1506566"	529.207951	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Hac-H"	59.013851
"965360"	537.174251	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-H+NaCOOH"	66.980151
"119736"	505.163502	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+2Cl"	69.938804
"557474"	740.260552	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+2Cl"	69.938804
"1034661"	270.066452	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2Cl"	69.938804
"1252051"	549.112985	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Br"	78.918885
"1314499"	551.168972	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Cl+HCOOH"	80.974872
"1334675"	573.150929	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Cl+NaCOOH"	102.956829
"926709"	583.179686	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M-H+CF3COOH"	112.985586
"1303615"	619.156364	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Cl+CF3COOH"	148.962264
"1379019"	435.181424	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H-2H2O"	-35.012676
"1394695"	453.1914	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H-H2O"	-17.0027
"298398"	941.395476	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+H"	1.007276
"688626"	1411.589576	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+H"	1.007276
"1362424"	471.201376	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H"	1.007276
"137137"	471.201376	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+2H"	2.014552
"571957"	706.298426	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+2H"	2.014552
"1052058"	236.104326	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2H"	2.014552
"218866"	314.470009333333	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+3H"	3.021828
"659482"	471.201376	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+3H"	3.021828
"1175459"	157.738642666667	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+3H"	3.021828
"436176"	958.422023	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+NH4"	18.033823
"798268"	1428.616123	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+NH4"	18.033823
"1694234"	488.227923	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+NH4"	18.033823
"344707"	479.7146495	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+H+NH4"	19.041099
"738225"	714.8116995	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+H+NH4"	19.041099
"1491924"	244.6175995	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H+NH4"	19.041099
"407925"	963.377418	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+Na"	22.989218
"768314"	1433.571518	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+Na"	22.989218
"1616532"	493.183318	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Na"	22.989218
"323648"	482.192347	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+H+Na"	23.996494
"718264"	717.289397	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+H+Na"	23.996494
"1476665"	247.095297	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H+Na"	23.996494
"1068135"	165.065956666667	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2H+Na"	25.00377
"1272489"	503.227586	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+CH3OH+H"	33.033486
"391668"	979.351358	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+K"	38.963158
"753155"	1449.545458	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+K"	38.963158
"1553019"	509.157258	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+K"	38.963158
"313476"	490.179317	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+H+K"	39.970434
"706261"	725.276367	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+H+K"	39.970434
"1460897"	255.082267	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H+K"	39.970434
"249420"	982.422026	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+ACN+H"	42.033826
"1223588"	512.227926	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+ACN+H"	42.033826
"1208325"	256.617601	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+ACN+2H"	43.041102
"204210"	985.35936	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+2Na-H"	44.97116
"644185"	1455.55346	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+2Na-H"	44.97116
"1146795"	515.16526	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2Na-H"	44.97116
"188346"	493.183318	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+2Na"	45.978436
"628369"	728.280368	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+2Na"	45.978436
"1131065"	258.086268	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2Na"	45.978436
"1414143"	172.393270666667	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H+2Na"	46.985712
"1445368"	517.206846	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H+HCOOH"	47.012746
"235665"	498.21634	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+3H2O+2H"	56.04448
"1523162"	531.25889	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+IsoProp+H"	61.06479
"423983"	501.170288	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+Na+K"	61.952376
"785604"	736.267338	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+Na+K"	61.952376
"1680781"	266.073238	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Na+K"	61.952376
"266329"	1004.403968	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+ACN+Na"	64.015768
"1240943"	534.209868	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+ACN+Na"	64.015768
"1725731"	534.233393	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+NH4+HCOOH"	64.039293
"1192178"	179.720584666667	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+3Na"	68.967654
"1660978"	539.188788	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Na+HCOOH"	68.994688
"162735"	1017.30724	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+2K-H"	76.91904
"604118"	1487.50134	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+2K-H"	76.91904
"1097137"	547.11314	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2K-H"	76.91904
"155046"	509.157258	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"2M+2K"	77.926316
"588286"	744.254308	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"3M+2K"	77.926316
"1073893"	274.060208	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2K"	77.926316
"1106008"	549.127692	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2K+H"	78.933592
"1340207"	549.215307	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+DMSO+H"	79.021207
"1012018"	553.254476	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2ACN+H"	83.060376
"1529050"	554.248108	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+IsoProp+Na+H"	84.054008
"991487"	277.130876	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+2ACN+2H"	84.067652
"1599847"	555.162728	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+K+HCOOH"	84.968628
"1421134"	585.194238	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+H+CF3COOH"	115.000138
"1151422"	297.644151	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+3ACN+2H"	125.094202
"1698785"	602.220785	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+NH4+CF3COOH"	132.026685
"1637715"	607.17618	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+Na+CF3COOH"	136.98208
"1572276"	623.15012	"C08997"	"Butyrylmallotochromene;1-Butanone 1-(6-((3-acetyl-24-dihydroxy-6-methoxy-5-methylphenyl)methyl)-57-dihydroxy-22-dimethyl-2H-1-benzopyran-8-yl)-"	"C26H30O8"	"470.1941"	"M+K+CF3COOH"	152.95602
"813581"	314.2246	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M"	0
"981646"	295.20621	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"65874"	208.475790666667	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"505074"	313.217324	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"882874"	103.734257333333	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"2542"	313.217324	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"442467"	470.329624	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"824283"	156.105024	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"91932"	627.441924	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"532229"	941.666524	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"910031"	313.217324	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"61243"	644.468471	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"501170"	958.693071	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"876660"	330.243871	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"44572"	649.423866	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"483767"	963.648466	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"861202"	335.199266	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1628182"	335.199266	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"102522"	331.205663	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"545363"	488.317963	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"934506"	174.093363	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"267344"	663.418602	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"662204"	977.643202	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1280077"	349.194002	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"19352"	665.397806	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"462194"	979.622406	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"834650"	351.173206	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1561296"	351.173206	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"953554"	359.222794	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"370678"	673.447401	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"356749"	687.463051	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1501206"	373.238451	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"967654"	381.204751	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"115471"	349.194002	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"551749"	506.306302	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1030393"	192.081702	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1245231"	393.143485	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1310234"	395.199472	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1332472"	417.181429	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"926817"	427.210186	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1302915"	463.186864	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1380224"	279.211924	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1394805"	297.2219	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"298271"	629.456476	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"688736"	943.681076	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1364722"	315.231876	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"140527"	315.231876	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"572067"	472.344176	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1052167"	158.119576	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"219261"	210.490342666667	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"658903"	315.231876	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1175205"	105.748809333333	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"437748"	646.483023	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"799470"	960.707623	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1693620"	332.258423	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"344086"	323.7451495	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"737599"	480.8574495	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1491422"	166.6328495	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"407184"	651.438418	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"769031"	965.663018	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1614823"	337.213818	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"328505"	326.222847	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"718373"	483.335147	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1473287"	169.110547	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1067754"	113.076123333333	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1270401"	347.258086	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"390078"	667.412358	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"752899"	981.636958	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1552038"	353.187758	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"313341"	334.209817	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"706248"	491.322117	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1459463"	177.097517	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"249893"	670.483026	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1223334"	356.258426	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1208431"	178.632851	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"202762"	673.42036	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"643781"	987.64496	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1146074"	359.19576	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"187420"	337.213818	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"627099"	494.326118	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1130240"	180.101518	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1413968"	120.403437333333	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1445151"	361.237346	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"235212"	342.24684	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1523919"	375.28939	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"423562"	345.200788	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"785603"	502.313088	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1681011"	188.088488	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"266992"	692.464968	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1240608"	378.240368	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1727911"	378.263893	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1193141"	127.730751333333	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1661088"	383.219288	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"164668"	705.36824	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"606416"	1019.59284	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1098831"	391.14364	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"154184"	353.187758	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"586574"	510.300058	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1074003"	196.075458	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1105025"	393.158192	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1340317"	393.245807	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1013221"	397.284976	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1528067"	398.278608	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"995608"	199.146126	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1596676"	399.193228	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1421244"	429.224738	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1150438"	219.659401	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1699988"	446.251285	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1641106"	451.20668	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1571410"	467.18062	"C08998"	"Cannabichromene;CBC"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"808224"	316.0583	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M"	0
"978476"	297.03991	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"63554"	209.698257333333	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"505183"	315.051024	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"880796"	104.345490666667	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"1193"	315.051024	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"441118"	473.080174	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"824393"	157.021874	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"89856"	631.109324	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"533309"	947.167624	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"911108"	315.051024	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"59406"	648.135871	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"502296"	964.194171	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"877863"	332.077571	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"45894"	653.091266	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"484605"	969.149566	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"862768"	337.032966	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1627198"	337.032966	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"102632"	333.039363	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"543286"	491.068513	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"934616"	175.010213	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"268063"	667.086002	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"662678"	983.144302	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1282373"	351.027702	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"19462"	669.065206	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"463397"	985.123506	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"834760"	353.006906	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1561406"	353.006906	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"953664"	361.056494	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"372974"	677.114801	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"354672"	691.130451	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1498400"	375.072151	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"964483"	383.038451	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"114484"	351.027702	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"550115"	509.056852	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1027221"	192.998552	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1246070"	394.977185	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1310344"	397.033172	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1332582"	419.015129	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"926321"	429.043886	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1303958"	465.020564	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1380334"	281.045624	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1397467"	299.0556	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"297769"	633.123876	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"688846"	949.182176	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1365196"	317.065576	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"140637"	317.065576	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"572177"	475.094726	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1046810"	159.036426	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"215438"	211.712809333333	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"657186"	317.065576	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1172029"	106.360042666667	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"434576"	650.150423	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"799220"	966.208723	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1694091"	334.092123	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"344923"	325.5788495	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"737342"	483.6079995	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1489340"	167.5496995	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"407658"	655.105818	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"766465"	971.164118	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1614932"	339.047518	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"326787"	328.056547	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"717390"	486.085697	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1472304"	170.027397	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1068451"	113.687356666667	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1270512"	349.091786	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"391647"	671.079758	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"753250"	987.138058	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1554210"	355.021458	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"311507"	336.043517	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"705751"	494.072667	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1460503"	178.014367	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"250367"	674.150426	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1224054"	358.092126	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1209509"	179.549701	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"203603"	677.08776	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"643889"	993.14606	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1146713"	361.02946	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"188140"	339.047518	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"627331"	497.076668	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1130593"	181.018368	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1413630"	121.014670666667	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1445225"	363.071046	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"235408"	344.08054	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1523011"	377.12309	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"423548"	347.034488	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"784423"	505.063638	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1681083"	189.005338	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"266630"	696.132368	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1240345"	380.074068	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1728143"	380.097593	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1194121"	128.341984666667	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1664114"	385.052988	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"163685"	709.03564	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"606526"	1025.09394	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1099508"	392.97734	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"154415"	355.021458	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"586320"	513.050608	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1076300"	196.992308	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1106228"	394.991892	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1341521"	395.079507	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1014425"	399.118676	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1528177"	400.112308	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"994624"	200.062976	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1596786"	401.026928	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1421354"	431.058438	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1150912"	220.576251	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1700097"	448.084985	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1639029"	453.04038	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1571644"	469.01432	"C08999"	"Capillarisin"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"811615"	306.1103	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M"	0
"975426"	287.09191	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-H2O-H"	-19.01839
"69016"	203.066257333333	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M-3H"	-3.021828
"504324"	305.103024	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M-3H"	-3.021828
"886378"	101.029490666667	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-3H"	-3.021828
"1671"	305.103024	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M-2H"	-2.014552
"441232"	458.158174	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M-2H"	-2.014552
"821221"	152.047874	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-2H"	-2.014552
"87777"	611.213324	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M-H"	-1.007276
"530618"	917.323624	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M-H"	-1.007276
"909514"	305.103024	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-H"	-1.007276
"55140"	628.239871	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M-2H+NH4"	16.019271
"502237"	934.350171	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M-2H+NH4"	16.019271
"877973"	322.129571	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-2H+NH4"	16.019271
"45148"	633.195266	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M-2H+Na"	20.974666
"485436"	939.305566	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M-2H+Na"	20.974666
"862516"	327.084966	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-2H+Na"	20.974666
"1630588"	327.084966	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Na-2H"	20.974666
"104930"	323.091363	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M-H+Cl"	33.962126
"544490"	476.146513	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M-H+Cl"	33.962126
"934726"	170.036213	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-H+Cl"	33.962126
"272191"	647.190002	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+Cl"	34.969402
"665705"	953.300302	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+Cl"	34.969402
"1283577"	341.079702	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Cl"	34.969402
"29051"	649.169206	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M-2H+K"	36.948606
"467884"	955.279506	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M-2H+K"	36.948606
"845687"	343.058906	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-2H+K"	36.948606
"1570633"	343.058906	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+K-2H"	36.948606
"955961"	351.108494	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-H+HCOOH"	44.998194
"374180"	657.218801	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+HCOOH-H"	44.998201
"356969"	671.234451	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+Hac-H"	59.013851
"1503615"	365.124151	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Hac-H"	59.013851
"966783"	373.090451	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-H+NaCOOH"	66.980151
"117877"	341.079702	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+2Cl"	69.938804
"552698"	494.134852	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+2Cl"	69.938804
"1032075"	188.024552	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2Cl"	69.938804
"1249099"	385.029185	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Br"	78.918885
"1309727"	387.085172	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Cl+HCOOH"	80.974872
"1332328"	409.067129	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Cl+NaCOOH"	102.956829
"924845"	419.095886	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M-H+CF3COOH"	112.985586
"1300826"	455.072564	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Cl+CF3COOH"	148.962264
"1381175"	271.097624	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H-2H2O"	-35.012676
"1395755"	289.1076	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H-H2O"	-17.0027
"298391"	613.227876	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+H"	1.007276
"688957"	919.338176	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+H"	1.007276
"1366645"	307.117576	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H"	1.007276
"139654"	307.117576	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+2H"	2.014552
"571194"	460.172726	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+2H"	2.014552
"1050931"	154.062426	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2H"	2.014552
"217371"	205.080809333333	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+3H"	3.021828
"657662"	307.117576	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+3H"	3.021828
"1172139"	103.044042666667	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+3H"	3.021828
"436872"	630.254423	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+NH4"	18.033823
"799693"	936.364723	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+NH4"	18.033823
"1694565"	324.144123	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+NH4"	18.033823
"345275"	315.6308495	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+H+NH4"	19.041099
"736358"	468.6859995	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+H+NH4"	19.041099
"1488356"	162.5756995	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H+NH4"	19.041099
"408298"	635.209818	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+Na"	22.989218
"767669"	941.320118	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+Na"	22.989218
"1616135"	329.099518	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Na"	22.989218
"326168"	318.108547	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+H+Na"	23.996494
"718592"	471.163697	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+H+Na"	23.996494
"1471318"	165.053397	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H+Na"	23.996494
"1068095"	110.371356666667	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2H+Na"	25.00377
"1270621"	339.143786	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+CH3OH+H"	33.033486
"392448"	651.183758	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+K"	38.963158
"753891"	957.294058	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+K"	38.963158
"1554442"	345.073458	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+K"	38.963158
"313766"	326.095517	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+H+K"	39.970434
"706878"	479.150667	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+H+K"	39.970434
"1460410"	173.040367	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H+K"	39.970434
"250477"	654.254426	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+ACN+H"	42.033826
"1224768"	348.144126	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+ACN+H"	42.033826
"1208891"	174.575701	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+ACN+2H"	43.041102
"204218"	657.19176	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+2Na-H"	44.97116
"642778"	963.30206	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+2Na-H"	44.97116
"1146918"	351.08146	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2Na-H"	44.97116
"188387"	329.099518	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+2Na"	45.978436
"628175"	482.154668	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+2Na"	45.978436
"1130953"	176.044368	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2Na"	45.978436
"1413988"	117.698670666667	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H+2Na"	46.985712
"1445255"	353.123046	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H+HCOOH"	47.012746
"235612"	334.13254	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+3H2O+2H"	56.04448
"1522392"	367.17509	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+IsoProp+H"	61.06479
"423170"	337.086488	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+Na+K"	61.952376
"785142"	490.141638	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+Na+K"	61.952376
"1681233"	184.031338	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Na+K"	61.952376
"266658"	676.236368	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+ACN+Na"	64.015768
"1240579"	370.126068	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+ACN+Na"	64.015768
"1727402"	370.149593	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+NH4+HCOOH"	64.039293
"1193977"	125.025984666667	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+3Na"	68.967654
"1663860"	375.104988	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Na+HCOOH"	68.994688
"170359"	689.13964	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+2K-H"	76.91904
"608826"	995.24994	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+2K-H"	76.91904
"1099616"	383.02934	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2K-H"	76.91904
"154526"	345.073458	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"2M+2K"	77.926316
"592993"	498.128608	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"3M+2K"	77.926316
"1076411"	192.018308	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2K"	77.926316
"1108526"	385.043892	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2K+H"	78.933592
"1342723"	385.131507	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+DMSO+H"	79.021207
"1011255"	389.170676	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2ACN+H"	83.060376
"1533755"	390.164308	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+IsoProp+Na+H"	84.054008
"996921"	195.088976	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+2ACN+2H"	84.067652
"1596896"	391.078928	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+K+HCOOH"	84.968628
"1421464"	421.110438	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+H+CF3COOH"	115.000138
"1151751"	215.602251	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+3ACN+2H"	125.094202
"1706768"	438.136985	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+NH4+CF3COOH"	132.026685
"1636956"	443.09238	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+Na+CF3COOH"	136.98208
"1574796"	459.06632	"C09000"	"Cimifugin"	"C16H18O6"	"306.1103"	"M+K+CF3COOH"	152.95602
"808444"	178.0266	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M"	0
"978696"	159.00821	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-H2O-H"	-19.01839
"63369"	117.677124	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M-3H"	-3.021828
"503581"	177.019324	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M-3H"	-3.021828
"882113"	58.334924	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-3H"	-3.021828
"3968"	177.019324	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M-2H"	-2.014552
"442435"	266.032624	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M-2H"	-2.014552
"817560"	88.006024	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-2H"	-2.014552
"80229"	355.045924	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M-H"	-1.007276
"531457"	533.072524	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M-H"	-1.007276
"910475"	177.019324	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-H"	-1.007276
"55249"	372.072471	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M-2H+NH4"	16.019271
"495906"	550.099071	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M-2H+NH4"	16.019271
"875896"	194.045871	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-2H+NH4"	16.019271
"44891"	377.027866	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M-2H+Na"	20.974666
"483358"	555.054466	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M-2H+Na"	20.974666
"862257"	199.001266	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-2H+Na"	20.974666
"1628512"	199.001266	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Na-2H"	20.974666
"103946"	195.007663	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M-H+Cl"	33.962126
"539133"	284.020963	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M-H+Cl"	33.962126
"931556"	105.994363	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-H+Cl"	33.962126
"272301"	391.022602	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+Cl"	34.969402
"665815"	569.049202	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+Cl"	34.969402
"1283687"	212.996002	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Cl"	34.969402
"29161"	393.001806	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M-2H+K"	36.948606
"467994"	571.028406	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M-2H+K"	36.948606
"847255"	214.975206	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-2H+K"	36.948606
"1569284"	214.975206	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+K-2H"	36.948606
"956071"	223.024794	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-H+HCOOH"	44.998194
"375019"	401.051401	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+HCOOH-H"	44.998201
"357808"	415.067051	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+Hac-H"	59.013851
"1501537"	237.040451	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Hac-H"	59.013851
"966893"	245.006751	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-H+NaCOOH"	66.980151
"114341"	212.996002	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+2Cl"	69.938804
"552808"	302.009302	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+2Cl"	69.938804
"1032909"	123.982702	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2Cl"	69.938804
"1245925"	256.945485	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Br"	78.918885
"1311660"	259.001472	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Cl+HCOOH"	80.974872
"1329157"	280.983429	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Cl+NaCOOH"	102.956829
"922039"	291.012186	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M-H+CF3COOH"	112.985586
"1300205"	326.988864	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Cl+CF3COOH"	148.962264
"1382257"	143.013924	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H-2H2O"	-35.012676
"1391489"	161.0239	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H-H2O"	-17.0027
"298227"	357.060476	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+H"	1.007276
"690161"	535.087076	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+H"	1.007276
"1362500"	179.033876	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H"	1.007276
"133931"	179.033876	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+2H"	2.014552
"572396"	268.047176	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+2H"	2.014552
"1048854"	90.020576	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2H"	2.014552
"216389"	119.691676	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+3H"	3.021828
"657407"	179.033876	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+3H"	3.021828
"1172249"	60.349476	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+3H"	3.021828
"434428"	374.087023	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+NH4"	18.033823
"797616"	552.113623	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+NH4"	18.033823
"1693582"	196.060423	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+NH4"	18.033823
"343322"	187.5471495	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+H+NH4"	19.041099
"736469"	276.5604495	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+H+NH4"	19.041099
"1489193"	98.5338495	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H+NH4"	19.041099
"407512"	379.042418	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+Na"	22.989218
"765955"	557.069018	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+Na"	22.989218
"1615517"	201.015818	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Na"	22.989218
"325186"	190.024847	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+H+Na"	23.996494
"717974"	279.038147	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+H+Na"	23.996494
"1470336"	101.011547	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H+Na"	23.996494
"1068446"	67.67679	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2H+Na"	25.00377
"1271460"	211.060086	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+CH3OH+H"	33.033486
"392115"	395.016358	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+K"	38.963158
"753594"	573.042958	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+K"	38.963158
"1554188"	216.989758	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+K"	38.963158
"314191"	198.011817	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+H+K"	39.970434
"706976"	287.025117	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+H+K"	39.970434
"1461129"	108.998517	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H+K"	39.970434
"251115"	398.087026	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+ACN+H"	42.033826
"1225447"	220.060426	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+ACN+H"	42.033826
"1209608"	110.533851	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+ACN+2H"	43.041102
"204163"	401.02436	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+2Na-H"	44.97116
"642160"	579.05096	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+2Na-H"	44.97116
"1146947"	222.99776	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2Na-H"	44.97116
"188542"	201.015818	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+2Na"	45.978436
"628396"	290.029118	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+2Na"	45.978436
"1131266"	112.002518	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2Na"	45.978436
"1413819"	75.004104	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H+2Na"	46.985712
"1445367"	225.039346	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H+HCOOH"	47.012746
"235491"	206.04884	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+3H2O+2H"	56.04448
"1522864"	239.09139	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+IsoProp+H"	61.06479
"422185"	209.002788	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+Na+K"	61.952376
"785461"	298.016088	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+Na+K"	61.952376
"1679515"	119.989488	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Na+K"	61.952376
"265671"	420.068968	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+ACN+Na"	64.015768
"1236189"	242.042368	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+ACN+Na"	64.015768
"1728359"	242.065893	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+NH4+HCOOH"	64.039293
"1191890"	82.331418	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+3Na"	68.967654
"1663242"	247.021288	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Na+HCOOH"	68.994688
"171198"	432.97224	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+2K-H"	76.91904
"608936"	610.99884	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+2K-H"	76.91904
"1099816"	254.94564	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2K-H"	76.91904
"154636"	216.989758	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"2M+2K"	77.926316
"593103"	306.003058	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"3M+2K"	77.926316
"1075428"	127.976458	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2K"	77.926316
"1108636"	256.960192	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2K+H"	78.933592
"1343926"	257.047807	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+DMSO+H"	79.021207
"1012458"	261.086976	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2ACN+H"	83.060376
"1533865"	262.080608	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+IsoProp+Na+H"	84.054008
"999218"	131.047126	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+2ACN+2H"	84.067652
"1593725"	262.995228	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+K+HCOOH"	84.968628
"1421574"	293.026738	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+H+CF3COOH"	115.000138
"1152954"	151.560401	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+3ACN+2H"	125.094202
"1706878"	310.053285	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+NH4+CF3COOH"	132.026685
"1637066"	315.00868	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+Na+CF3COOH"	136.98208
"1574906"	330.98262	"C09001"	"57-Dihydroxychromone"	"C9H6O4"	"178.0266"	"M+K+CF3COOH"	152.95602
"808554"	326.1518	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M"	0
"978806"	307.13341	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-H2O-H"	-19.01839
"63395"	216.427257333333	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M-3H"	-3.021828
"504419"	325.144524	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M-3H"	-3.021828
"880481"	107.709990666667	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-3H"	-3.021828
"2985"	325.144524	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M-2H"	-2.014552
"441451"	488.220424	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M-2H"	-2.014552
"818153"	162.068624	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-2H"	-2.014552
"80338"	651.296324	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M-H"	-1.007276
"528651"	977.448124	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M-H"	-1.007276
"905361"	325.144524	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-H"	-1.007276
"56456"	668.322871	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M-2H+NH4"	16.019271
"493827"	994.474671	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M-2H+NH4"	16.019271
"872726"	342.171071	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-2H+NH4"	16.019271
"38439"	673.278266	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M-2H+Na"	20.974666
"475813"	999.430066	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M-2H+Na"	20.974666
"860180"	347.126466	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-2H+Na"	20.974666
"1628622"	347.126466	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Na-2H"	20.974666
"104056"	343.132863	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M-H+Cl"	33.962126
"538150"	506.208763	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M-H+Cl"	33.962126
"929479"	180.056963	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-H+Cl"	33.962126
"272411"	687.273002	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+Cl"	34.969402
"665925"	1013.424802	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+Cl"	34.969402
"1282340"	361.121202	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Cl"	34.969402
"26356"	689.252206	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M-2H+K"	36.948606
"464461"	1015.404006	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M-2H+K"	36.948606
"841533"	363.100406	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-2H+K"	36.948606
"1566115"	363.100406	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+K-2H"	36.948606
"953995"	371.149994	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-H+HCOOH"	44.998194
"371120"	697.301801	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+HCOOH-H"	44.998201
"358282"	711.317451	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+Hac-H"	59.013851
"1498367"	385.165651	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Hac-H"	59.013851
"967003"	393.131951	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-H+NaCOOH"	66.980151
"111171"	361.121202	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+2Cl"	69.938804
"550243"	524.197102	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+2Cl"	69.938804
"1032655"	198.045302	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2Cl"	69.938804
"1244214"	405.070685	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Br"	78.918885
"1309583"	407.126672	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Cl+HCOOH"	80.974872
"1330360"	429.108629	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Cl+NaCOOH"	102.956829
"923606"	439.137386	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M-H+CF3COOH"	112.985586
"1300315"	475.114064	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Cl+CF3COOH"	148.962264
"1381029"	291.139124	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H-2H2O"	-35.012676
"1392692"	309.1491	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H-H2O"	-17.0027
"297851"	653.310876	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+H"	1.007276
"685897"	979.462676	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+H"	1.007276
"1359694"	327.159076	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H"	1.007276
"134769"	327.159076	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+2H"	2.014552
"572506"	490.234976	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+2H"	2.014552
"1048963"	164.083176	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2H"	2.014552
"209208"	218.441809333333	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+3H"	3.021828
"653140"	327.159076	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+3H"	3.021828
"1167983"	109.724542666667	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+3H"	3.021828
"432349"	670.337423	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+NH4"	18.033823
"794439"	996.489223	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+NH4"	18.033823
"1694421"	344.185623	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+NH4"	18.033823
"343792"	335.6723495	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+H+NH4"	19.041099
"736577"	498.7482495	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+H+NH4"	19.041099
"1490032"	172.5964495	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H+NH4"	19.041099
"405799"	675.292818	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+Na"	22.989218
"763879"	1001.444618	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+Na"	22.989218
"1616234"	349.141018	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Na"	22.989218
"326024"	338.150047	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+H+Na"	23.996494
"714804"	501.225947	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+H+Na"	23.996494
"1464248"	175.074147	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H+Na"	23.996494
"1065764"	117.051856666667	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2H+Na"	25.00377
"1266469"	359.185286	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+CH3OH+H"	33.033486
"392342"	691.266758	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+K"	38.963158
"752605"	1017.418558	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+K"	38.963158
"1553933"	365.114958	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+K"	38.963158
"313659"	346.137017	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+H+K"	39.970434
"706446"	509.212917	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+H+K"	39.970434
"1460999"	183.061117	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H+K"	39.970434
"250694"	694.337426	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+ACN+H"	42.033826
"1224498"	368.185626	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+ACN+H"	42.033826
"1209110"	184.596451	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+ACN+2H"	43.041102
"201980"	697.27476	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+2Na-H"	44.97116
"642270"	1023.42656	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+2Na-H"	44.97116
"1146742"	371.12296	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2Na-H"	44.97116
"187125"	349.141018	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+2Na"	45.978436
"628027"	512.216918	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+2Na"	45.978436
"1131172"	186.065118	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2Na"	45.978436
"1414077"	124.379170666667	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H+2Na"	46.985712
"1445502"	373.164546	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H+HCOOH"	47.012746
"235453"	354.17404	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+3H2O+2H"	56.04448
"1521881"	387.21659	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+IsoProp+H"	61.06479
"420473"	357.127988	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+Na+K"	61.952376
"785365"	520.203888	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+Na+K"	61.952376
"1680721"	194.052088	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Na+K"	61.952376
"265660"	716.319368	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+ACN+Na"	64.015768
"1238123"	390.167568	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+ACN+Na"	64.015768
"1726527"	390.191093	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+NH4+HCOOH"	64.039293
"1191758"	131.706484666667	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+3Na"	68.967654
"1659340"	395.146488	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Na+HCOOH"	68.994688
"169486"	729.22264	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+2K-H"	76.91904
"607953"	1055.37444	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+2K-H"	76.91904
"1098905"	403.07084	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2K-H"	76.91904
"154746"	365.114958	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"2M+2K"	77.926316
"593213"	528.190858	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"3M+2K"	77.926316
"1075538"	202.039058	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2K"	77.926316
"1109840"	405.085392	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2K+H"	78.933592
"1342943"	405.173007	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+DMSO+H"	79.021207
"1014755"	409.212176	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2ACN+H"	83.060376
"1532882"	410.205808	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+IsoProp+Na+H"	84.054008
"999328"	205.109726	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+2ACN+2H"	84.067652
"1590190"	411.120428	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+K+HCOOH"	84.968628
"1421684"	441.151938	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+H+CF3COOH"	115.000138
"1150877"	225.623001	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+3ACN+2H"	125.094202
"1705895"	458.178485	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+NH4+CF3COOH"	132.026685
"1637176"	463.13388	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+Na+CF3COOH"	136.98208
"1575016"	479.10782	"C09002"	"8-(33-Dimethylallyl)spatheliachromene"	"C20H22O4"	"326.1518"	"M+K+CF3COOH"	152.95602
"808665"	272.1412	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M"	0
"976729"	253.12281	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-H2O-H"	-19.01839
"65333"	180.420190666667	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M-3H"	-3.021828
"508905"	271.133924	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M-3H"	-3.021828
"881967"	89.7064573333333	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-3H"	-3.021828
"5283"	271.133924	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M-2H"	-2.014552
"443750"	407.204524	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M-2H"	-2.014552
"821549"	135.063324	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-2H"	-2.014552
"81176"	543.275124	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M-H"	-1.007276
"528761"	815.416324	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M-H"	-1.007276
"903282"	271.133924	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-H"	-1.007276
"53284"	560.301671	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M-2H+NH4"	16.019271
"493936"	832.442871	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M-2H+NH4"	16.019271
"871743"	288.160471	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-2H+NH4"	16.019271
"38549"	565.257066	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M-2H+Na"	20.974666
"474100"	837.398266	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M-2H+Na"	20.974666
"859195"	293.115866	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-2H+Na"	20.974666
"1629825"	293.115866	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Na-2H"	20.974666
"106353"	289.122263	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M-H+Cl"	33.962126
"547007"	425.192863	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M-H+Cl"	33.962126
"935056"	153.051663	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-H+Cl"	33.962126
"272521"	579.251802	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+Cl"	34.969402
"666035"	851.393002	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+Cl"	34.969402
"1283543"	307.110602	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Cl"	34.969402
"25009"	581.231006	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M-2H+K"	36.948606
"463843"	853.372206	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M-2H+K"	36.948606
"842739"	309.089806	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-2H+K"	36.948606
"1565132"	309.089806	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+K-2H"	36.948606
"954107"	317.139394	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-H+HCOOH"	44.998194
"373418"	589.280601	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+HCOOH-H"	44.998201
"357300"	603.296251	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+Hac-H"	59.013851
"1499206"	331.155051	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Hac-H"	59.013851
"967113"	339.121351	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-H+NaCOOH"	66.980151
"117112"	307.110602	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+2Cl"	69.938804
"553026"	443.181202	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+2Cl"	69.938804
"1024014"	171.040002	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2Cl"	69.938804
"1247239"	351.060085	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Br"	78.918885
"1306040"	353.116072	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Cl+HCOOH"	80.974872
"1333381"	375.098029	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Cl+NaCOOH"	102.956829
"916057"	385.126786	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M-H+CF3COOH"	112.985586
"1297139"	421.103464	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Cl+CF3COOH"	148.962264
"1376395"	237.128524	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H-2H2O"	-35.012676
"1392798"	255.1385	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H-H2O"	-17.0027
"295403"	545.289676	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+H"	1.007276
"683815"	817.430876	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+H"	1.007276
"1360164"	273.148476	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H"	1.007276
"128680"	273.148476	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+2H"	2.014552
"568602"	409.219076	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+2H"	2.014552
"1040682"	137.077876	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2H"	2.014552
"208222"	182.434742666667	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+3H"	3.021828
"649970"	273.148476	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+3H"	3.021828
"1166999"	91.7210093333334	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+3H"	3.021828
"426989"	562.316223	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+NH4"	18.033823
"791265"	834.457423	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+NH4"	18.033823
"1687598"	290.175023	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+NH4"	18.033823
"339157"	281.6617495	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+H+NH4"	19.041099
"730487"	417.7323495	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+H+NH4"	19.041099
"1490869"	145.5911495	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H+NH4"	19.041099
"406273"	567.271618	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+Na"	22.989218
"763989"	839.412818	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+Na"	22.989218
"1617071"	295.130418	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Na"	22.989218
"323217"	284.139447	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+H+Na"	23.996494
"718920"	420.210047	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+H+Na"	23.996494
"1466544"	148.068847	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H+Na"	23.996494
"1064532"	99.0483233333333	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2H+Na"	25.00377
"1268766"	305.174686	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+CH3OH+H"	33.033486
"391475"	583.245558	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+K"	38.963158
"752715"	855.386758	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+K"	38.963158
"1553309"	311.104358	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+K"	38.963158
"308661"	292.126417	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+H+K"	39.970434
"705464"	428.197017	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+H+K"	39.970434
"1460502"	156.055817	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H+K"	39.970434
"249344"	586.316226	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+ACN+H"	42.033826
"1224367"	314.175026	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+ACN+H"	42.033826
"1208737"	157.591151	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+ACN+2H"	43.041102
"203066"	589.25356	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+2Na-H"	44.97116
"640552"	861.39476	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+2Na-H"	44.97116
"1146707"	317.11236	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2Na-H"	44.97116
"187599"	295.130418	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+2Na"	45.978436
"627977"	431.201018	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+2Na"	45.978436
"1130911"	159.059818	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2Na"	45.978436
"1414036"	106.375637333333	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H+2Na"	46.985712
"1443751"	319.153946	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H+HCOOH"	47.012746
"235272"	300.16344	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+3H2O+2H"	56.04448
"1520168"	333.20599	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+H"	61.06479
"419490"	303.117388	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+Na+K"	61.952376
"781942"	439.187988	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+Na+K"	61.952376
"1678639"	167.046788	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Na+K"	61.952376
"264793"	608.298168	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+ACN+Na"	64.015768
"1232034"	336.156968	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+ACN+Na"	64.015768
"1727731"	336.180493	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+NH4+HCOOH"	64.039293
"1191745"	113.702951333333	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+3Na"	68.967654
"1661638"	341.135888	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Na+HCOOH"	68.994688
"170689"	621.20144	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+2K-H"	76.91904
"611343"	893.34264	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+2K-H"	76.91904
"1099144"	349.06024	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2K-H"	76.91904
"156680"	311.104358	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"2M+2K"	77.926316
"594416"	447.174958	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"3M+2K"	77.926316
"1077835"	175.033758	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2K"	77.926316
"1112137"	351.074792	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2K+H"	78.933592
"1343053"	351.162407	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+DMSO+H"	79.021207
"1014865"	355.201576	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2ACN+H"	83.060376
"1531897"	356.195208	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+Na+H"	84.054008
"999438"	178.104426	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+2ACN+2H"	84.067652
"1589207"	357.109828	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+K+HCOOH"	84.968628
"1421794"	387.141338	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+H+CF3COOH"	115.000138
"1149894"	198.617701	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+3ACN+2H"	125.094202
"1709285"	404.167885	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+NH4+CF3COOH"	132.026685
"1634411"	409.12328	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+Na+CF3COOH"	136.98208
"1575126"	425.09722	"C09003"	"22-Dimethyl-8-prenylchromene 6-carboxylic acid"	"C17H20O3"	"272.1412"	"M+K+CF3COOH"	152.95602
"808773"	470.1941	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M"	0
"980120"	451.17571	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-H2O-H"	-19.01839
"63987"	312.455457333333	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M-3H"	-3.021828
"505735"	469.186824	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M-3H"	-3.021828
"882808"	155.724090666667	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-3H"	-3.021828
"5392"	469.186824	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M-2H"	-2.014552
"443129"	704.283874	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M-2H"	-2.014552
"820568"	234.089774	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-2H"	-2.014552
"80433"	939.380924	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M-H"	-1.007276
"524495"	1409.575024	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M-H"	-1.007276
"902296"	469.186824	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-H"	-1.007276
"55581"	956.407471	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M-2H+NH4"	16.019271
"497326"	1426.601571	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M-2H+NH4"	16.019271
"872944"	486.213371	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-2H+NH4"	16.019271
"41936"	961.362866	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M-2H+Na"	20.974666
"478215"	1431.556966	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M-2H+Na"	20.974666
"856025"	491.168766	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-2H+Na"	20.974666
"1629935"	491.168766	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Na-2H"	20.974666
"107195"	487.175163	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M-H+Cl"	33.962126
"544930"	722.272213	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M-H+Cl"	33.962126
"935166"	252.078113	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-H+Cl"	33.962126
"273724"	975.357602	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+Cl"	34.969402
"666145"	1445.551702	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+Cl"	34.969402
"1284382"	505.163502	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Cl"	34.969402
"26940"	977.336806	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M-2H+K"	36.948606
"462856"	1447.530906	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M-2H+K"	36.948606
"841750"	507.142706	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-2H+K"	36.948606
"1566333"	507.142706	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+K-2H"	36.948606
"956037"	515.192294	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-H+HCOOH"	44.998194
"370249"	985.386401	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+HCOOH-H"	44.998201
"354129"	999.402051	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+Hac-H"	59.013851
"1496400"	529.207951	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Hac-H"	59.013851
"965034"	537.174251	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-H+NaCOOH"	66.980151
"112845"	505.163502	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+2Cl"	69.938804
"552036"	740.260552	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+2Cl"	69.938804
"1022056"	270.066452	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2Cl"	69.938804
"1247349"	549.112985	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Br"	78.918885
"1306879"	551.168972	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Cl+HCOOH"	80.974872
"1333855"	573.150929	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Cl+NaCOOH"	102.956829
"916167"	583.179686	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M-H+CF3COOH"	112.985586
"1297249"	619.156364	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Cl+CF3COOH"	148.962264
"1375412"	435.181424	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H-2H2O"	-35.012676
"1392544"	453.1914	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H-H2O"	-17.0027
"294785"	941.395476	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+H"	1.007276
"681009"	1411.589576	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+H"	1.007276
"1360274"	471.201376	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H"	1.007276
"129518"	471.201376	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+2H"	2.014552
"569806"	706.298426	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+2H"	2.014552
"1038970"	236.104326	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2H"	2.014552
"209425"	314.470009333333	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+3H"	3.021828
"650080"	471.201376	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+3H"	3.021828
"1166017"	157.738642666667	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+3H"	3.021828
"426007"	958.422023	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+NH4"	18.033823
"790282"	1428.616123	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+NH4"	18.033823
"1687708"	488.227923	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+NH4"	18.033823
"335987"	479.7146495	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+H+NH4"	19.041099
"731690"	714.8116995	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+H+NH4"	19.041099
"1486604"	244.6175995	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H+NH4"	19.041099
"404923"	963.377418	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+Na"	22.989218
"764095"	1433.571518	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+Na"	22.989218
"1614383"	493.183318	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Na"	22.989218
"326607"	482.192347	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+H+Na"	23.996494
"719030"	717.289397	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+H+Na"	23.996494
"1468476"	247.095297	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H+Na"	23.996494
"1067195"	165.065956666667	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2H+Na"	25.00377
"1269969"	503.227586	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+CH3OH+H"	33.033486
"387453"	979.351358	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+K"	38.963158
"751730"	1449.545458	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+K"	38.963158
"1553783"	509.157258	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+K"	38.963158
"310957"	490.179317	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+H+K"	39.970434
"703382"	725.276367	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+H+K"	39.970434
"1459757"	255.082267	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H+K"	39.970434
"248724"	982.422026	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+ACN+H"	42.033826
"1222893"	512.227926	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+ACN+H"	42.033826
"1207139"	256.617601	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+ACN+2H"	43.041102
"203296"	985.35936	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+2Na-H"	44.97116
"639203"	1455.55346	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+2Na-H"	44.97116
"1146242"	515.16526	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2Na-H"	44.97116
"187223"	493.183318	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+2Na"	45.978436
"627763"	728.280368	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+2Na"	45.978436
"1128342"	258.086268	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2Na"	45.978436
"1412962"	172.393270666667	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H+2Na"	46.985712
"1443617"	517.206846	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H+HCOOH"	47.012746
"233676"	498.21634	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+3H2O+2H"	56.04448
"1516998"	531.25889	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+IsoProp+H"	61.06479
"417776"	501.170288	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+Na+K"	61.952376
"779864"	736.267338	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+Na+K"	61.952376
"1672915"	266.073238	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Na+K"	61.952376
"253968"	1004.403968	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+ACN+Na"	64.015768
"1227770"	534.209868	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+ACN+Na"	64.015768
"1727962"	534.233393	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+NH4+HCOOH"	64.039293
"1191127"	179.720584666667	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+3Na"	68.967654
"1661748"	539.188788	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Na+HCOOH"	68.994688
"170799"	1017.30724	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+2K-H"	76.91904
"610360"	1487.50134	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+2K-H"	76.91904
"1098881"	547.11314	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2K-H"	76.91904
"156304"	509.157258	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"2M+2K"	77.926316
"593433"	744.254308	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"3M+2K"	77.926316
"1080132"	274.060208	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2K"	77.926316
"1112247"	549.127692	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2K+H"	78.933592
"1346443"	549.215307	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+DMSO+H"	79.021207
"1014975"	553.254476	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2ACN+H"	83.060376
"1529820"	554.248108	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+IsoProp+Na+H"	84.054008
"999548"	277.130876	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+2ACN+2H"	84.067652
"1589317"	555.162728	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+K+HCOOH"	84.968628
"1421904"	585.194238	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+H+CF3COOH"	115.000138
"1150003"	297.644151	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+3ACN+2H"	125.094202
"1699555"	602.220785	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+NH4+CF3COOH"	132.026685
"1634279"	607.17618	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+Na+CF3COOH"	136.98208
"1575236"	623.15012	"C09004"	"Drummondin A"	"C26H30O8"	"470.1941"	"M+K+CF3COOH"	152.95602
"808883"	232.1099	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M"	0
"979138"	213.09151	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-H2O-H"	-19.01839
"68472"	153.732657333333	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M-3H"	-3.021828
"508033"	231.102624	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M-3H"	-3.021828
"888022"	76.3626906666667	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-3H"	-3.021828
"9877"	231.102624	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M-2H"	-2.014552
"450531"	347.157574	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M-2H"	-2.014552
"827239"	115.047674	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-2H"	-2.014552
"83950"	463.212524	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M-H"	-1.007276
"522050"	695.322424	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M-H"	-1.007276
"897300"	231.102624	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-H"	-1.007276
"57874"	480.239071	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M-2H+NH4"	16.019271
"499621"	712.348971	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M-2H+NH4"	16.019271
"871956"	248.129171	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-2H+NH4"	16.019271
"43138"	485.194466	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M-2H+Na"	20.974666
"478325"	717.304366	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M-2H+Na"	20.974666
"856135"	253.084566	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-2H+Na"	20.974666
"1632231"	253.084566	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Na-2H"	20.974666
"107306"	249.090963	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M-H+Cl"	33.962126
"547228"	365.145913	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M-H+Cl"	33.962126
"935276"	133.036013	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-H+Cl"	33.962126
"272741"	499.189202	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+Cl"	34.969402
"667348"	731.299102	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+Cl"	34.969402
"1283033"	267.079302	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Cl"	34.969402
"27414"	501.168406	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M-2H+K"	36.948606
"466246"	733.278306	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M-2H+K"	36.948606
"841860"	269.058506	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-2H+K"	36.948606
"1570087"	269.058506	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+K-2H"	36.948606
"956147"	277.108094	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-H+HCOOH"	44.998194
"371453"	509.218001	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+HCOOH-H"	44.998201
"358250"	523.233651	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+Hac-H"	59.013851
"1496510"	291.123751	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Hac-H"	59.013851
"965508"	299.090051	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-H+NaCOOH"	66.980151
"112954"	267.079302	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+2Cl"	69.938804
"553608"	383.134252	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+2Cl"	69.938804
"1026784"	151.024352	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2Cl"	69.938804
"1247459"	311.028785	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Br"	78.918885
"1309906"	313.084772	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Cl+HCOOH"	80.974872
"1333965"	335.066729	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Cl+NaCOOH"	102.956829
"916277"	345.095486	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M-H+CF3COOH"	112.985586
"1297359"	381.072164	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Cl+CF3COOH"	148.962264
"1379531"	197.097224	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H-2H2O"	-35.012676
"1397153"	215.1072	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H-H2O"	-17.0027
"294895"	465.227076	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+H"	1.007276
"684035"	697.336976	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+H"	1.007276
"1362936"	233.117176	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H"	1.007276
"129628"	233.117176	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+2H"	2.014552
"569553"	349.172126	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+2H"	2.014552
"1042725"	117.062226	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2H"	2.014552
"211722"	155.747209333333	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+3H"	3.021828
"650189"	233.117176	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+3H"	3.021828
"1170502"	78.3772426666667	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+3H"	3.021828
"427208"	482.253623	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+NH4"	18.033823
"792578"	714.363523	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+NH4"	18.033823
"1687816"	250.143723	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+NH4"	18.033823
"337188"	241.6304495	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+H+NH4"	19.041099
"726325"	357.6853995	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+H+NH4"	19.041099
"1485617"	125.5754995	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H+NH4"	19.041099
"398830"	487.209018	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+Na"	22.989218
"760920"	719.318918	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+Na"	22.989218
"1609020"	255.099118	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Na"	22.989218
"319054"	244.108147	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+H+Na"	23.996494
"718045"	360.163097	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+H+Na"	23.996494
"1469677"	128.053197	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H+Na"	23.996494
"1061833"	85.7045566666667	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2H+Na"	25.00377
"1268986"	265.143386	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+CH3OH+H"	33.033486
"392787"	503.182958	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+K"	38.963158
"751476"	735.292858	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+K"	38.963158
"1553893"	271.073058	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+K"	38.963158
"311067"	252.095117	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+H+K"	39.970434
"703493"	368.150067	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+H+K"	39.970434
"1460233"	136.040167	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H+K"	39.970434
"250294"	506.253626	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+ACN+H"	42.033826
"1223367"	274.143726	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+ACN+H"	42.033826
"1207977"	137.575501	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+ACN+2H"	43.041102
"201577"	509.19096	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+2Na-H"	44.97116
"640406"	741.30086	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+2Na-H"	44.97116
"1146230"	277.08106	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2Na-H"	44.97116
"187781"	255.099118	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+2Na"	45.978436
"627994"	371.154068	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+2Na"	45.978436
"1128452"	139.044168	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2Na"	45.978436
"1413072"	93.0318706666667	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H+2Na"	46.985712
"1443727"	279.122646	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H+HCOOH"	47.012746
"234514"	260.13214	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+3H2O+2H"	56.04448
"1517108"	293.17469	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+IsoProp+H"	61.06479
"422625"	263.086088	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+Na+K"	61.952376
"781067"	379.141038	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+Na+K"	61.952376
"1675212"	147.031138	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Na+K"	61.952376
"257358"	528.235568	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+ACN+Na"	64.015768
"1228973"	296.125668	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+ACN+Na"	64.015768
"1723331"	296.149193	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+NH4+HCOOH"	64.039293
"1191965"	100.359184666667	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+3Na"	68.967654
"1662951"	301.104588	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Na+HCOOH"	68.994688
"172003"	541.13884	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+2K-H"	76.91904
"610470"	773.24874	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+2K-H"	76.91904
"1099237"	309.02894	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2K-H"	76.91904
"156414"	271.073058	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"2M+2K"	77.926316
"593543"	387.128008	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"3M+2K"	77.926316
"1078055"	155.018108	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2K"	77.926316
"1115032"	311.043492	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2K+H"	78.933592
"1350566"	311.131107	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+DMSO+H"	79.021207
"1013993"	315.170276	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2ACN+H"	83.060376
"1531023"	316.163908	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+IsoProp+Na+H"	84.054008
"999657"	158.088776	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+2ACN+2H"	84.067652
"1589792"	317.078528	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+K+HCOOH"	84.968628
"1422014"	347.110038	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+H+CF3COOH"	115.000138
"1151208"	178.602051	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+3ACN+2H"	125.094202
"1698572"	364.136585	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+NH4+CF3COOH"	132.026685
"1636413"	369.09198	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+Na+CF3COOH"	136.98208
"1575346"	385.06592	"C09005"	"Encecalin;1-(7-Methoxy-22-dimethyl-2H-1-benzopyran-6-yl)ethanone"	"C14H16O3"	"232.1099"	"M+K+CF3COOH"	152.95602
"808993"	218.0943	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M"	0
"981434"	199.07591	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-H2O-H"	-19.01839
"68582"	144.388924	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M-3H"	-3.021828
"508143"	217.087024	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M-3H"	-3.021828
"888132"	71.690824	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-3H"	-3.021828
"8894"	217.087024	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M-2H"	-2.014552
"449548"	326.134174	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M-2H"	-2.014552
"824069"	108.039874	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-2H"	-2.014552
"84060"	435.181324	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M-H"	-1.007276
"519609"	653.275624	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M-H"	-1.007276
"899234"	217.087024	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-H"	-1.007276
"55798"	452.207871	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M-2H+NH4"	16.019271
"499732"	670.302171	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M-2H+NH4"	16.019271
"873160"	234.113571	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-2H+NH4"	16.019271
"43249"	457.163266	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M-2H+Na"	20.974666
"477342"	675.257566	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M-2H+Na"	20.974666
"855144"	239.068966	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-2H+Na"	20.974666
"1632342"	239.068966	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Na-2H"	20.974666
"107781"	235.075363	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M-H+Cl"	33.962126
"546610"	344.122513	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M-H+Cl"	33.962126
"934293"	126.028213	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-H+Cl"	33.962126
"273944"	471.158002	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+Cl"	34.969402
"667458"	689.252302	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+Cl"	34.969402
"1280956"	253.063702	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Cl"	34.969402
"22420"	473.137206	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M-2H+K"	36.948606
"467449"	691.231506	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M-2H+K"	36.948606
"840874"	255.042906	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-2H+K"	36.948606
"1563270"	255.042906	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+K-2H"	36.948606
"951153"	263.092494	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-H+HCOOH"	44.998194
"373018"	481.186801	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+HCOOH-H"	44.998201
"354348"	495.202451	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+Hac-H"	59.013851
"1495524"	277.108151	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Hac-H"	59.013851
"965254"	285.074451	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-H+NaCOOH"	66.980151
"112335"	253.063702	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+2Cl"	69.938804
"552624"	362.110852	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+2Cl"	69.938804
"1024707"	144.016552	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2Cl"	69.938804
"1249755"	297.013185	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Br"	78.918885
"1312203"	299.069172	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Cl+HCOOH"	80.974872
"1333347"	321.051129	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Cl+NaCOOH"	102.956829
"917480"	331.079886	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M-H+CF3COOH"	112.985586
"1298198"	367.056564	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Cl+CF3COOH"	148.962264
"1379641"	183.081624	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H-2H2O"	-35.012676
"1398388"	201.0916	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H-H2O"	-17.0027
"296100"	437.195876	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+H"	1.007276
"687425"	655.290176	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+H"	1.007276
"1366207"	219.101576	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H"	1.007276
"132290"	219.101576	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+2H"	2.014552
"570756"	328.148726	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+2H"	2.014552
"1042835"	110.054426	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2H"	2.014552
"212925"	146.403476	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+3H"	3.021828
"650299"	219.101576	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+3H"	3.021828
"1171705"	73.705376	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+3H"	3.021828
"426225"	454.222423	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+NH4"	18.033823
"791595"	672.316723	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+NH4"	18.033823
"1687926"	236.128123	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+NH4"	18.033823
"337298"	227.6148495	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+H+NH4"	19.041099
"723276"	336.6619995	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+H+NH4"	19.041099
"1481353"	118.5676995	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H+NH4"	19.041099
"398940"	459.177818	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+Na"	22.989218
"759937"	677.272118	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+Na"	22.989218
"1606942"	241.083518	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Na"	22.989218
"320258"	230.092547	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+H+Na"	23.996494
"708423"	339.139697	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+H+Na"	23.996494
"1469788"	121.045397	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H+Na"	23.996494
"1059752"	81.03269	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2H+Na"	25.00377
"1267994"	251.127786	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+CH3OH+H"	33.033486
"392492"	475.151758	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+K"	38.963158
"748661"	693.246058	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+K"	38.963158
"1551811"	257.057458	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+K"	38.963158
"303518"	238.079517	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+H+K"	39.970434
"698126"	347.126667	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+H+K"	39.970434
"1456322"	129.032367	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H+K"	39.970434
"249298"	478.222426	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+ACN+H"	42.033826
"1220915"	260.128126	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+ACN+H"	42.033826
"1205530"	130.567701	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+ACN+2H"	43.041102
"201678"	481.15976	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+2Na-H"	44.97116
"639416"	699.25406	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+2Na-H"	44.97116
"1144016"	263.06546	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2Na-H"	44.97116
"188042"	241.083518	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+2Na"	45.978436
"627238"	350.130668	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+2Na"	45.978436
"1130380"	132.036368	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2Na"	45.978436
"1411719"	88.360004	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H+2Na"	46.985712
"1441646"	265.107046	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H+HCOOH"	47.012746
"230249"	246.11654	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+3H2O+2H"	56.04448
"1519402"	279.15909	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+IsoProp+H"	61.06479
"416902"	249.070488	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+Na+K"	61.952376
"783364"	358.117638	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+Na+K"	61.952376
"1675321"	140.023338	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Na+K"	61.952376
"259654"	500.204368	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+ACN+Na"	64.015768
"1229808"	282.110068	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+ACN+Na"	64.015768
"1721251"	282.133593	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+NH4+HCOOH"	64.039293
"1183326"	95.687318	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+3Na"	68.967654
"1663061"	287.088988	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Na+HCOOH"	68.994688
"169924"	513.10764	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+2K-H"	76.91904
"608390"	731.20194	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+2K-H"	76.91904
"1091808"	295.01334	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2K-H"	76.91904
"148624"	257.057458	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"2M+2K"	77.926316
"593653"	366.104608	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"3M+2K"	77.926316
"1078165"	148.010308	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2K"	77.926316
"1112467"	297.027892	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2K+H"	78.933592
"1346664"	297.115507	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+DMSO+H"	79.021207
"1015196"	301.154676	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2ACN+H"	83.060376
"1531133"	302.148308	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+IsoProp+Na+H"	84.054008
"1004141"	151.080976	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+2ACN+2H"	84.067652
"1588076"	303.062928	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+K+HCOOH"	84.968628
"1422124"	333.094438	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+H+CF3COOH"	115.000138
"1148158"	171.594251	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+3ACN+2H"	125.094202
"1699046"	350.120985	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+NH4+CF3COOH"	132.026685
"1637616"	355.07638	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+Na+CF3COOH"	136.98208
"1575456"	371.05032	"C09006"	"Eupatoriochromene;1-(7-Hydroxy-22-dimethyl-2H-1-benzopyran-6-yl)-ethanone"	"C13H14O3"	"218.0943"	"M+K+CF3COOH"	152.95602
"809103"	250.0994	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M"	0
"980451"	231.08101	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-H2O-H"	-19.01839
"67599"	165.725657333333	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M-3H"	-3.021828
"508254"	249.092124	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M-3H"	-3.021828
"887149"	82.3591906666667	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-3H"	-3.021828
"7912"	249.092124	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M-2H"	-2.014552
"447472"	374.141824	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M-2H"	-2.014552
"823086"	124.042424	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-2H"	-2.014552
"81984"	499.191524	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M-H"	-1.007276
"523730"	749.290924	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M-H"	-1.007276
"900438"	249.092124	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-H"	-1.007276
"58095"	516.218071	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M-2H+NH4"	16.019271
"499845"	766.317471	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M-2H+NH4"	16.019271
"874364"	266.118671	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-2H+NH4"	16.019271
"42996"	521.173466	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M-2H+Na"	20.974666
"482921"	771.272866	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M-2H+Na"	20.974666
"851976"	271.074066	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-2H+Na"	20.974666
"1630997"	271.074066	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Na-2H"	20.974666
"105703"	267.080463	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M-H+Cl"	33.962126
"545264"	392.130163	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M-H+Cl"	33.962126
"935496"	142.030763	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-H+Cl"	33.962126
"274054"	535.168202	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+Cl"	34.969402
"667568"	785.267602	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+Cl"	34.969402
"1283253"	285.068802	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Cl"	34.969402
"22894"	537.147406	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M-2H+K"	36.948606
"463186"	787.246806	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M-2H+K"	36.948606
"838068"	287.048006	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-2H+K"	36.948606
"1562287"	287.048006	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+K-2H"	36.948606
"954543"	295.097594	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-H+HCOOH"	44.998194
"370578"	545.197001	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+HCOOH-H"	44.998201
"354458"	559.212651	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+Hac-H"	59.013851
"1494905"	309.113251	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Hac-H"	59.013851
"965364"	317.079551	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-H+NaCOOH"	66.980151
"113177"	285.068802	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+2Cl"	69.938804
"551275"	410.118502	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+2Cl"	69.938804
"1026275"	160.019102	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2Cl"	69.938804
"1248772"	329.018285	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Br"	78.918885
"1312313"	331.074272	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Cl+HCOOH"	80.974872
"1325437"	353.056229	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Cl+NaCOOH"	102.956829
"916497"	363.084986	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M-H+CF3COOH"	112.985586
"1297579"	399.061664	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Cl+CF3COOH"	148.962264
"1379023"	215.086724	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H-2H2O"	-35.012676
"1398103"	233.0967	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H-H2O"	-17.0027
"298276"	501.206076	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+H"	1.007276
"687171"	751.305476	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+H"	1.007276
"1366803"	251.106676	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H"	1.007276
"132400"	251.106676	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+2H"	2.014552
"571959"	376.156376	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+2H"	2.014552
"1042945"	126.056976	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2H"	2.014552
"211942"	167.740209333333	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+3H"	3.021828
"650409"	251.106676	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+3H"	3.021828
"1169628"	84.3737426666667	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+3H"	3.021828
"428521"	518.232623	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+NH4"	18.033823
"788425"	768.332023	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+NH4"	18.033823
"1685850"	268.133223	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+NH4"	18.033823
"335222"	259.6199495	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+H+NH4"	19.041099
"728737"	384.6696495	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+H+NH4"	19.041099
"1479272"	134.5702495	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H+NH4"	19.041099
"393456"	523.188018	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+Na"	22.989218
"755670"	773.287418	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+Na"	22.989218
"1605956"	273.088618	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Na"	22.989218
"319274"	262.097647	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+H+Na"	23.996494
"708412"	387.147347	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+H+Na"	23.996494
"1465522"	137.047947	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H+Na"	23.996494
"1055487"	91.7010566666667	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2H+Na"	25.00377
"1270290"	283.132886	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+CH3OH+H"	33.033486
"389957"	539.161958	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+K"	38.963158
"747678"	789.261358	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+K"	38.963158
"1550826"	289.062558	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+K"	38.963158
"308002"	270.084617	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+H+K"	39.970434
"697142"	395.134317	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+H+K"	39.970434
"1455338"	145.034917	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H+K"	39.970434
"246127"	542.232626	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+ACN+H"	42.033826
"1222118"	292.133226	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+ACN+H"	42.033826
"1206733"	146.570251	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+ACN+2H"	43.041102
"198870"	545.16996	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+2Na-H"	44.97116
"639526"	795.26936	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+2Na-H"	44.97116
"1143764"	295.07056	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2Na-H"	44.97116
"187670"	273.088618	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+2Na"	45.978436
"628079"	398.138318	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+2Na"	45.978436
"1130736"	148.038918	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2Na"	45.978436
"1412924"	99.0283706666667	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H+2Na"	46.985712
"1443943"	297.112146	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H+HCOOH"	47.012746
"232546"	278.12164	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+3H2O+2H"	56.04448
"1519511"	311.16419	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+IsoProp+H"	61.06479
"418104"	281.075588	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+Na+K"	61.952376
"783111"	406.125288	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+Na+K"	61.952376
"1673244"	156.025888	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Na+K"	61.952376
"259764"	564.214568	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+ACN+Na"	64.015768
"1231012"	314.115168	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+ACN+Na"	64.015768
"1718081"	314.138693	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+NH4+HCOOH"	64.039293
"1181249"	106.355684666667	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+3Na"	68.967654
"1655515"	319.094088	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Na+HCOOH"	68.994688
"171127"	577.11784	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+2K-H"	76.91904
"609593"	827.21724	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+2K-H"	76.91904
"1089730"	327.01844	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2K-H"	76.91904
"143265"	289.062558	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"2M+2K"	77.926316
"589388"	414.112258	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"3M+2K"	77.926316
"1072807"	164.012858	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2K"	77.926316
"1107110"	329.032992	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2K+H"	78.933592
"1343494"	329.120607	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+DMSO+H"	79.021207
"1013119"	333.159776	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2ACN+H"	83.060376
"1531242"	334.153408	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+IsoProp+Na+H"	84.054008
"999877"	167.083526	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+2ACN+2H"	84.067652
"1587700"	335.068028	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+K+HCOOH"	84.968628
"1423327"	365.099538	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+H+CF3COOH"	115.000138
"1148147"	187.596801	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+3ACN+2H"	125.094202
"1697101"	382.126085	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+NH4+CF3COOH"	132.026685
"1638819"	387.08148	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+Na+CF3COOH"	136.98208
"1575566"	403.05542	"C09007"	"Flindersiachromone;2-(2-Phenylethyl)chromone"	"C17H14O2"	"250.0994"	"M+K+CF3COOH"	152.95602
"809213"	264.0423	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M"	0
"977281"	245.02391	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-H2O-H"	-19.01839
"66615"	175.020924	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M-3H"	-3.021828
"508363"	263.035024	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M-3H"	-3.021828
"887259"	87.006824	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-3H"	-3.021828
"8021"	263.035024	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M-2H"	-2.014552
"448675"	395.056174	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M-2H"	-2.014552
"823196"	131.013874	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-2H"	-2.014552
"83187"	527.077324	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M-H"	-1.007276
"524934"	791.119624	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M-H"	-1.007276
"901641"	263.035024	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-H"	-1.007276
"56018"	544.103871	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M-2H+NH4"	16.019271
"494485"	808.146171	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M-2H+NH4"	16.019271
"872286"	280.061571	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-2H+NH4"	16.019271
"40190"	549.059266	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M-2H+Na"	20.974666
"477564"	813.101566	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M-2H+Na"	20.974666
"850991"	285.016966	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-2H+Na"	20.974666
"1629282"	285.016966	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Na-2H"	20.974666
"107637"	281.023363	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M-H+Cl"	33.962126
"547196"	413.044513	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M-H+Cl"	33.962126
"937065"	149.002213	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-H+Cl"	33.962126
"271248"	563.054002	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+Cl"	34.969402
"666585"	827.096302	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+Cl"	34.969402
"1279354"	299.011702	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Cl"	34.969402
"18995"	565.033206	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M-2H+K"	36.948606
"462930"	829.075506	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M-2H+K"	36.948606
"833355"	300.990906	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-2H+K"	36.948606
"1560209"	300.990906	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+K-2H"	36.948606
"943145"	309.040494	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-H+HCOOH"	44.998194
"372869"	573.082801	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+HCOOH-H"	44.998201
"351652"	587.098451	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+Hac-H"	59.013851
"1495380"	323.056151	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Hac-H"	59.013851
"961463"	331.022451	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-H+NaCOOH"	66.980151
"113287"	299.011702	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+2Cl"	69.938804
"550127"	431.032852	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+2Cl"	69.938804
"1024198"	166.990552	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2Cl"	69.938804
"1247059"	342.961185	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Br"	78.918885
"1305738"	345.017172	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Cl+HCOOH"	80.974872
"1326640"	366.999129	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Cl+NaCOOH"	102.956829
"916607"	377.027886	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M-H+CF3COOH"	112.985586
"1297689"	413.004564	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Cl+CF3COOH"	148.962264
"1376945"	229.029624	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H-2H2O"	-35.012676
"1395902"	247.0396	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H-H2O"	-17.0027
"297171"	529.091876	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+H"	1.007276
"687281"	793.134176	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+H"	1.007276
"1366670"	265.049576	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H"	1.007276
"132510"	265.049576	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+2H"	2.014552
"569153"	397.070726	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+2H"	2.014552
"1041962"	133.028426	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2H"	2.014552
"210959"	177.035476	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+3H"	3.021828
"647239"	265.049576	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+3H"	3.021828
"1168645"	89.021376	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+3H"	3.021828
"427537"	546.118423	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+NH4"	18.033823
"786713"	810.160723	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+NH4"	18.033823
"1684867"	282.076123	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+NH4"	18.033823
"336426"	273.5628495	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+H+NH4"	19.041099
"731034"	405.5839995	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+H+NH4"	19.041099
"1481569"	141.5416995	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H+NH4"	19.041099
"395147"	551.073818	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+Na"	22.989218
"756873"	815.116118	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+Na"	22.989218
"1605093"	287.031518	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Na"	22.989218
"318291"	276.040547	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+H+Na"	23.996494
"709249"	408.061697	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+H+Na"	23.996494
"1464536"	144.019397	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H+Na"	23.996494
"1056686"	96.34869	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2H+Na"	25.00377
"1268211"	297.075786	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+CH3OH+H"	33.033486
"391160"	567.047758	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+K"	38.963158
"748877"	831.090058	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+K"	38.963158
"1550936"	303.005458	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+K"	38.963158
"308111"	284.027517	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+H+K"	39.970434
"696159"	416.048667	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+H+K"	39.970434
"1453262"	152.006367	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H+K"	39.970434
"240769"	570.118426	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+ACN+H"	42.033826
"1218949"	306.076126	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+ACN+H"	42.033826
"1204657"	153.541701	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+ACN+2H"	43.041102
"196794"	573.05576	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+2Na-H"	44.97116
"639272"	837.09806	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+2Na-H"	44.97116
"1146064"	309.01346	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2Na-H"	44.97116
"187292"	287.031518	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+2Na"	45.978436
"627948"	419.052668	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+2Na"	45.978436
"1129751"	155.010368	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2Na"	45.978436
"1411939"	103.676004	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H+2Na"	46.985712
"1438587"	311.055046	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H+HCOOH"	47.012746
"231562"	292.06454	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+3H2O+2H"	56.04448
"1517434"	325.10709	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+IsoProp+H"	61.06479
"416756"	295.018488	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+Na+K"	61.952376
"778846"	427.039638	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+Na+K"	61.952376
"1672259"	162.997338	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Na+K"	61.952376
"257687"	592.100368	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+ACN+Na"	64.015768
"1231487"	328.058068	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+ACN+Na"	64.015768
"1714908"	328.081593	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+NH4+HCOOH"	64.039293
"1181359"	111.003318	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+3Na"	68.967654
"1653438"	333.036988	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Na+HCOOH"	68.994688
"170144"	605.00364	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+2K-H"	76.91904
"607516"	869.04594	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+2K-H"	76.91904
"1089840"	340.96134	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2K-H"	76.91904
"143374"	303.005458	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"2M+2K"	77.926316
"589498"	435.026608	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"3M+2K"	77.926316
"1072917"	170.984308	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2K"	77.926316
"1107220"	342.975892	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2K+H"	78.933592
"1343604"	343.063507	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+DMSO+H"	79.021207
"1012136"	347.102676	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2ACN+H"	83.060376
"1531352"	348.096308	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+IsoProp+Na+H"	84.054008
"1003267"	174.054976	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+2ACN+2H"	84.067652
"1588050"	349.010928	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+K+HCOOH"	84.968628
"1423437"	379.042438	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+H+CF3COOH"	115.000138
"1147527"	194.568251	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+3ACN+2H"	125.094202
"1697199"	396.068985	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+NH4+CF3COOH"	132.026685
"1635649"	401.02438	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+Na+CF3COOH"	136.98208
"1576769"	416.99832	"C09008"	"Frutinone A"	"C16H8O4"	"264.0423"	"M+K+CF3COOH"	152.95602
"809323"	470.1941	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M"	0
"978484"	451.17571	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-H2O-H"	-19.01839
"66725"	312.455457333333	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M-3H"	-3.021828
"508473"	469.186824	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M-3H"	-3.021828
"887369"	155.724090666667	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-3H"	-3.021828
"5944"	469.186824	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M-2H"	-2.014552
"447692"	704.283874	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M-2H"	-2.014552
"823306"	234.089774	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-2H"	-2.014552
"79773"	939.380924	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M-H"	-1.007276
"522127"	1409.575024	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M-H"	-1.007276
"901749"	469.186824	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-H"	-1.007276
"52848"	956.407471	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M-2H+NH4"	16.019271
"495689"	1426.601571	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M-2H+NH4"	16.019271
"871303"	486.213371	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-2H+NH4"	16.019271
"41394"	961.362866	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M-2H+Na"	20.974666
"482048"	1431.556966	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M-2H+Na"	20.974666
"850371"	491.168766	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-2H+Na"	20.974666
"1631580"	491.168766	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Na-2H"	20.974666
"107018"	487.175163	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M-H+Cl"	33.962126
"547306"	722.272213	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M-H+Cl"	33.962126
"937539"	252.078113	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-H+Cl"	33.962126
"270994"	975.357602	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+Cl"	34.969402
"666695"	1445.551702	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+Cl"	34.969402
"1280192"	505.163502	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Cl"	34.969402
"19834"	977.336806	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M-2H+K"	36.948606
"463040"	1447.530906	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M-2H+K"	36.948606
"834155"	507.142706	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-2H+K"	36.948606
"1561048"	507.142706	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+K-2H"	36.948606
"944190"	515.192294	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-H+HCOOH"	44.998194
"372979"	985.386401	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+HCOOH-H"	44.998201
"352855"	999.402051	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+Hac-H"	59.013851
"1496583"	529.207951	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Hac-H"	59.013851
"961937"	537.174251	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-H+NaCOOH"	66.980151
"113761"	505.163502	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+2Cl"	69.938804
"550765"	740.260552	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+2Cl"	69.938804
"1021466"	270.066452	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2Cl"	69.938804
"1246805"	549.112985	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Br"	78.918885
"1305970"	551.168972	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Cl+HCOOH"	80.974872
"1320671"	573.150929	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Cl+NaCOOH"	102.956829
"919996"	583.179686	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M-H+CF3COOH"	112.985586
"1294516"	619.156364	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Cl+CF3COOH"	148.962264
"1371950"	435.181424	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H-2H2O"	-35.012676
"1387260"	453.1914	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H-H2O"	-17.0027
"296790"	941.395476	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+H"	1.007276
"681191"	1411.589576	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+H"	1.007276
"1360823"	471.201376	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H"	1.007276
"132620"	471.201376	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+2H"	2.014552
"567440"	706.298426	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+2H"	2.014552
"1041343"	236.104326	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2H"	2.014552
"212162"	314.470009333333	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+3H"	3.021828
"648442"	471.201376	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+3H"	3.021828
"1168755"	157.738642666667	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+3H"	3.021828
"426554"	958.422023	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+NH4"	18.033823
"786822"	1428.616123	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+NH4"	18.033823
"1683884"	488.227923	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+NH4"	18.033823
"335443"	479.7146495	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+H+NH4"	19.041099
"730051"	714.8116995	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+H+NH4"	19.041099
"1481680"	244.6175995	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H+NH4"	19.041099
"395621"	963.377418	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+Na"	22.989218
"756983"	1433.571518	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+Na"	22.989218
"1605083"	493.183318	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Na"	22.989218
"316215"	482.192347	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+H+Na"	23.996494
"709728"	717.289397	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+H+Na"	23.996494
"1465738"	247.095297	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H+Na"	23.996494
"1054610"	165.065956666667	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2H+Na"	25.00377
"1263948"	503.227586	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+CH3OH+H"	33.033486
"388720"	979.351358	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+K"	38.963158
"748987"	1449.545458	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+K"	38.963158
"1551042"	509.157258	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+K"	38.963158
"308221"	490.179317	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+H+K"	39.970434
"695176"	725.276367	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+H+K"	39.970434
"1451185"	255.082267	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H+K"	39.970434
"239785"	982.422026	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+ACN+H"	42.033826
"1220152"	512.227926	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+ACN+H"	42.033826
"1207316"	256.617601	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+ACN+2H"	43.041102
"195810"	985.35936	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+2Na-H"	44.97116
"639746"	1455.55346	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+2Na-H"	44.97116
"1145080"	515.16526	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2Na-H"	44.97116
"188013"	493.183318	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+2Na"	45.978436
"627813"	728.280368	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+2Na"	45.978436
"1131201"	258.086268	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2Na"	45.978436
"1412900"	172.393270666667	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H+2Na"	46.985712
"1443435"	517.206846	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H+HCOOH"	47.012746
"234588"	498.21634	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+3H2O+2H"	56.04448
"1519733"	531.25889	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+IsoProp+H"	61.06479
"419420"	501.170288	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+Na+K"	61.952376
"778956"	736.267338	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+Na+K"	61.952376
"1674193"	266.073238	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Na+K"	61.952376
"258526"	1004.403968	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+ACN+Na"	64.015768
"1231234"	534.209868	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+ACN+Na"	64.015768
"1715746"	534.233393	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+NH4+HCOOH"	64.039293
"1181468"	179.720584666667	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+3Na"	68.967654
"1651360"	539.188788	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Na+HCOOH"	68.994688
"172077"	1017.30724	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+2K-H"	76.91904
"607626"	1487.50134	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+2K-H"	76.91904
"1089950"	547.11314	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2K-H"	76.91904
"143848"	509.157258	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"2M+2K"	77.926316
"582681"	744.254308	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"3M+2K"	77.926316
"1071933"	274.060208	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2K"	77.926316
"1108423"	549.127692	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2K+H"	78.933592
"1343714"	549.215307	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+DMSO+H"	79.021207
"1012246"	553.254476	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2ACN+H"	83.060376
"1533650"	554.248108	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+IsoProp+Na+H"	84.054008
"1004838"	277.130876	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+2ACN+2H"	84.067652
"1588523"	555.162728	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+K+HCOOH"	84.968628
"1421360"	585.194238	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+H+CF3COOH"	115.000138
"1147636"	297.644151	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+3ACN+2H"	125.094202
"1697552"	602.220785	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+NH4+CF3COOH"	132.026685
"1636122"	607.17618	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+Na+CF3COOH"	136.98208
"1576879"	623.15012	"C09009"	"Isobutyrylmallotochromene"	"C26H30O8"	"470.1941"	"M+K+CF3COOH"	152.95602
"809433"	260.0685	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M"	0
"977501"	241.05011	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-H2O-H"	-19.01839
"64650"	172.371724	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M-3H"	-3.021828
"506397"	259.061224	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M-3H"	-3.021828
"889667"	85.682224	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-3H"	-3.021828
"7148"	259.061224	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M-2H"	-2.014552
"448895"	389.095474	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M-2H"	-2.014552
"825604"	129.026974	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-2H"	-2.014552
"82314"	519.129724	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M-H"	-1.007276
"522967"	779.198224	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M-H"	-1.007276
"900767"	259.061224	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-H"	-1.007276
"51865"	536.156271	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M-2H+NH4"	16.019271
"494706"	796.224771	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M-2H+NH4"	16.019271
"874695"	276.087771	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-2H+NH4"	16.019271
"39315"	541.111666	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M-2H+Na"	20.974666
"483252"	801.180166	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M-2H+Na"	20.974666
"849509"	281.043166	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-2H+Na"	20.974666
"1621844"	281.043166	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Na-2H"	20.974666
"107122"	277.049563	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M-H+Cl"	33.962126
"543404"	407.083813	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M-H+Cl"	33.962126
"935827"	147.015313	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-H+Cl"	33.962126
"272197"	555.106402	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+Cl"	34.969402
"668993"	815.174902	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+Cl"	34.969402
"1277022"	295.037902	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Cl"	34.969402
"21402"	557.085606	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M-2H+K"	36.948606
"463516"	817.154106	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M-2H+K"	36.948606
"835482"	297.017106	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-2H+K"	36.948606
"1560429"	297.017106	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+K-2H"	36.948606
"943207"	305.066694	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-H+HCOOH"	44.998194
"373089"	565.135201	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+HCOOH-H"	44.998201
"354788"	579.150851	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+Hac-H"	59.013851
"1498517"	319.082351	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Hac-H"	59.013851
"962047"	327.048651	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-H+NaCOOH"	66.980151
"112413"	295.037902	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+2Cl"	69.938804
"550877"	425.072152	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+2Cl"	69.938804
"1024782"	165.003652	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2Cl"	69.938804
"1244362"	338.987385	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Br"	78.918885
"1306080"	341.043372	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Cl+HCOOH"	80.974872
"1321389"	363.025329	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Cl+NaCOOH"	102.956829
"919012"	373.054086	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M-H+CF3COOH"	112.985586
"1293533"	409.030764	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Cl+CF3COOH"	148.962264
"1370236"	225.055824	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H-2H2O"	-35.012676
"1385546"	243.0658	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H-H2O"	-17.0027
"293620"	521.144276	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+H"	1.007276
"682394"	781.212776	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+H"	1.007276
"1355466"	261.075776	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H"	1.007276
"129450"	261.075776	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+2H"	2.014552
"571197"	391.110026	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+2H"	2.014552
"1041089"	131.041526	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2H"	2.014552
"207898"	174.386276	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+3H"	3.021828
"647458"	261.075776	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+3H"	3.021828
"1166677"	87.696776	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+3H"	3.021828
"424839"	538.170823	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+NH4"	18.033823
"787663"	798.239323	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+NH4"	18.033823
"1682900"	278.102323	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+NH4"	18.033823
"331540"	269.5890495	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+H+NH4"	19.041099
"729066"	399.6232995	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+H+NH4"	19.041099
"1480697"	139.5547995	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H+NH4"	19.041099
"395001"	543.126218	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+Na"	22.989218
"757093"	803.194718	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+Na"	22.989218
"1605192"	283.057718	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Na"	22.989218
"319606"	272.066747	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+H+Na"	23.996494
"709839"	402.100997	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+H+Na"	23.996494
"1465848"	142.032497	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H+Na"	23.996494
"1054719"	95.02409	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2H+Na"	25.00377
"1266245"	293.101986	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+CH3OH+H"	33.033486
"388102"	559.100158	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+K"	38.963158
"745817"	819.168658	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+K"	38.963158
"1547871"	299.031658	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+K"	38.963158
"308328"	280.053717	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+H+K"	39.970434
"696375"	410.087967	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+H+K"	39.970434
"1446551"	150.019467	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H+K"	39.970434
"239886"	562.170826	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+ACN+H"	42.033826
"1216982"	302.102326	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+ACN+H"	42.033826
"1205237"	151.554801	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+ACN+2H"	43.041102
"195920"	565.10816	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+2Na-H"	44.97116
"636574"	825.17666	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+2Na-H"	44.97116
"1146285"	305.03966	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2Na-H"	44.97116
"188333"	283.057718	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+2Na"	45.978436
"627678"	413.091968	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+2Na"	45.978436
"1129974"	153.023468	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2Na"	45.978436
"1411793"	102.351404	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H+2Na"	46.985712
"1442086"	307.081246	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H+HCOOH"	47.012746
"232511"	288.09074	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+3H2O+2H"	56.04448
"1523003"	321.13329	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+IsoProp+H"	61.06479
"421718"	291.044688	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+Na+K"	61.952376
"782711"	421.078938	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+Na+K"	61.952376
"1679040"	161.010438	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Na+K"	61.952376
"261915"	584.152768	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+ACN+Na"	64.015768
"1230250"	324.084268	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+ACN+Na"	64.015768
"1717314"	324.107793	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+NH4+HCOOH"	64.039293
"1182671"	109.678718	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+3Na"	68.967654
"1656939"	329.063188	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Na+HCOOH"	68.994688
"169269"	597.05604	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+2K-H"	76.91904
"606643"	857.12454	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+2K-H"	76.91904
"1088967"	336.98754	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2K-H"	76.91904
"143230"	299.031658	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"2M+2K"	77.926316
"583155"	429.065908	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"3M+2K"	77.926316
"1074230"	168.997408	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2K"	77.926316
"1110720"	339.002092	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2K+H"	78.933592
"1343824"	339.089707	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+DMSO+H"	79.021207
"1013449"	343.128876	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2ACN+H"	83.060376
"1531574"	344.122508	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+IsoProp+Na+H"	84.054008
"1000207"	172.068076	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+2ACN+2H"	84.067652
"1588878"	345.037128	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+K+HCOOH"	84.968628
"1421470"	375.068638	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+H+CF3COOH"	115.000138
"1147503"	192.581351	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+3ACN+2H"	125.094202
"1697214"	392.095185	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+NH4+CF3COOH"	132.026685
"1639150"	397.05058	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+Na+CF3COOH"	136.98208
"1576989"	413.02452	"C09010"	"Khellin"	"C14H12O5"	"260.0685"	"M+K+CF3COOH"	152.95602
"809543"	408.1056	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M"	0
"977609"	389.08721	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-H2O-H"	-19.01839
"64759"	271.063124	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M-3H"	-3.021828
"508693"	407.098324	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M-3H"	-3.021828
"887590"	135.027924	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-3H"	-3.021828
"5071"	407.098324	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M-2H"	-2.014552
"447912"	611.151124	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M-2H"	-2.014552
"825714"	203.045524	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-2H"	-2.014552
"82424"	815.203924	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M-H"	-1.007276
"525263"	1223.309524	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M-H"	-1.007276
"901969"	407.098324	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-H"	-1.007276
"51975"	832.230471	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M-2H+NH4"	16.019271
"491534"	1240.336071	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M-2H+NH4"	16.019271
"872618"	424.124871	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-2H+NH4"	16.019271
"34318"	837.185866	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M-2H+Na"	20.974666
"478988"	1245.291466	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M-2H+Na"	20.974666
"851321"	429.080266	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-2H+Na"	20.974666
"1621954"	429.080266	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Na-2H"	20.974666
"107232"	425.086663	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M-H+Cl"	33.962126
"545700"	629.139463	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M-H+Cl"	33.962126
"935937"	221.033863	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-H+Cl"	33.962126
"271213"	851.180602	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+Cl"	34.969402
"670195"	1259.286202	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+Cl"	34.969402
"1277132"	443.075002	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Cl"	34.969402
"22241"	853.159806	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M-2H+K"	36.948606
"462532"	1261.265406	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M-2H+K"	36.948606
"834011"	445.054206	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-2H+K"	36.948606
"1561268"	445.054206	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+K-2H"	36.948606
"943680"	453.103794	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-H+HCOOH"	44.998194
"373199"	861.209401	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+HCOOH-H"	44.998201
"355991"	875.225051	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+Hac-H"	59.013851
"1498263"	467.119451	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Hac-H"	59.013851
"963617"	475.085751	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-H+NaCOOH"	66.980151
"114711"	443.075002	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+2Cl"	69.938804
"550502"	647.127802	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+2Cl"	69.938804
"1024528"	239.022202	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2Cl"	69.938804
"1244837"	487.024485	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Br"	78.918885
"1305583"	489.080472	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Cl+HCOOH"	80.974872
"1320770"	511.062429	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Cl+NaCOOH"	102.956829
"912553"	521.091186	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M-H+CF3COOH"	112.985586
"1293643"	557.067864	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Cl+CF3COOH"	148.962264
"1369981"	373.092924	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H-2H2O"	-35.012676
"1385293"	391.1029	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H-H2O"	-17.0027
"290815"	817.218476	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+H"	1.007276
"683965"	1225.324076	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+H"	1.007276
"1354481"	409.112876	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H"	1.007276
"129560"	409.112876	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+2H"	2.014552
"576411"	613.165676	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+2H"	2.014552
"1039011"	205.060076	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2H"	2.014552
"209101"	273.077676	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+3H"	3.021828
"648662"	409.112876	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+3H"	3.021828
"1167880"	137.042476	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+3H"	3.021828
"425681"	834.245023	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+NH4"	18.033823
"788866"	1242.350623	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+NH4"	18.033823
"1683010"	426.139423	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+NH4"	18.033823
"331650"	417.6261495	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+H+NH4"	19.041099
"729176"	621.6789495	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+H+NH4"	19.041099
"1481903"	213.5733495	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H+NH4"	19.041099
"396208"	839.200418	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+Na"	22.989218
"758295"	1247.306018	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+Na"	22.989218
"1605302"	431.094818	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Na"	22.989218
"316431"	420.103847	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+H+Na"	23.996494
"708855"	624.156647	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+H+Na"	23.996494
"1462557"	216.051047	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H+Na"	23.996494
"1056654"	144.36979	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2H+Na"	25.00377
"1263073"	441.139086	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+CH3OH+H"	33.033486
"383835"	855.174358	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+K"	38.963158
"745927"	1263.279958	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+K"	38.963158
"1553449"	447.068758	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+K"	38.963158
"306252"	428.090817	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+H+K"	39.970434
"698675"	632.143617	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+H+K"	39.970434
"1448481"	224.038017	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H+K"	39.970434
"237813"	858.245026	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+ACN+H"	42.033826
"1219278"	450.139426	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+ACN+H"	42.033826
"1206440"	225.573351	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+ACN+2H"	43.041102
"196030"	861.18236	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+2Na-H"	44.97116
"636684"	1269.28796	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+2Na-H"	44.97116
"1145666"	453.07676	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2Na-H"	44.97116
"188112"	431.094818	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+2Na"	45.978436
"628500"	635.147618	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+2Na"	45.978436
"1131063"	227.042018	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2Na"	45.978436
"1412632"	151.697104	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H+2Na"	46.985712
"1441102"	455.118346	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H+HCOOH"	47.012746
"229704"	436.12784	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+3H2O+2H"	56.04448
"1521047"	469.17039	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+IsoProp+H"	61.06479
"421827"	439.081788	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+Na+K"	61.952376
"783550"	643.134588	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+Na+K"	61.952376
"1675505"	235.028988	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Na+K"	61.952376
"261661"	880.226968	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+ACN+Na"	64.015768
"1231819"	472.121368	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+ACN+Na"	64.015768
"1715238"	472.144893	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+NH4+HCOOH"	64.039293
"1182781"	159.024418	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+3Na"	68.967654
"1653769"	477.100288	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Na+HCOOH"	68.994688
"159535"	893.13024	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+2K-H"	76.91904
"606753"	1301.23584	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+2K-H"	76.91904
"1087254"	485.02464	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2K-H"	76.91904
"143460"	447.068758	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"2M+2K"	77.926316
"582535"	651.121558	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"3M+2K"	77.926316
"1073247"	243.015958	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2K"	77.926316
"1107550"	487.039192	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2K+H"	78.933592
"1343934"	487.126807	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+DMSO+H"	79.021207
"1012466"	491.165976	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2ACN+H"	83.060376
"1531684"	492.159608	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+IsoProp+Na+H"	84.054008
"1003597"	246.086626	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+2ACN+2H"	84.067652
"1587774"	493.074228	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+K+HCOOH"	84.968628
"1414410"	523.105738	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+H+CF3COOH"	115.000138
"1147250"	266.599901	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+3ACN+2H"	125.094202
"1697204"	540.132285	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+NH4+CF3COOH"	132.026685
"1644729"	545.08768	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+Na+CF3COOH"	136.98208
"1576006"	561.06162	"C09011"	"Khellol glucoside;Khelloside"	"C19H20O10"	"408.1056"	"M+K+CF3COOH"	152.95602
"809654"	206.0579	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M"	0
"974634"	187.03951	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-H2O-H"	-19.01839
"64869"	136.364657333333	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M-3H"	-3.021828
"504431"	205.050624	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M-3H"	-3.021828
"886607"	67.6786906666667	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-3H"	-3.021828
"5182"	205.050624	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M-2H"	-2.014552
"445836"	308.079574	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M-2H"	-2.014552
"821452"	102.021674	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-2H"	-2.014552
"81441"	411.108524	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M-H"	-1.007276
"521001"	617.166424	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M-H"	-1.007276
"897704"	205.050624	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-H"	-1.007276
"52085"	428.135071	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M-2H+NH4"	16.019271
"488365"	634.192971	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M-2H+NH4"	16.019271
"869449"	222.077171	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-2H+NH4"	16.019271
"31676"	433.090466	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M-2H+Na"	20.974666
"481284"	639.148366	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M-2H+Na"	20.974666
"853616"	227.032566	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-2H+Na"	20.974666
"1618485"	227.032566	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Na-2H"	20.974666
"95312"	223.038963	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M-H+Cl"	33.962126
"541435"	326.067913	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M-H+Cl"	33.962126
"932765"	120.010013	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-H+Cl"	33.962126
"268162"	447.085202	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+Cl"	34.969402
"664838"	653.143102	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+Cl"	34.969402
"1273960"	241.027302	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Cl"	34.969402
"16026"	449.064406	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M-2H+K"	36.948606
"457536"	655.122306	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M-2H+K"	36.948606
"833147"	243.006506	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-2H+K"	36.948606
"1560650"	243.006506	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+K-2H"	36.948606
"948533"	251.056094	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-H+HCOOH"	44.998194
"370029"	457.114001	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+HCOOH-H"	44.998201
"349540"	471.129651	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+Hac-H"	59.013851
"1498373"	265.071751	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Hac-H"	59.013851
"963727"	273.038051	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-H+NaCOOH"	66.980151
"114093"	241.027302	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+2Cl"	69.938804
"550206"	344.056252	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+2Cl"	69.938804
"1021722"	137.998352	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2Cl"	69.938804
"1247135"	284.976785	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Br"	78.918885
"1305572"	287.032772	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Cl+HCOOH"	80.974872
"1320516"	309.014729	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Cl+NaCOOH"	102.956829
"911484"	319.043486	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M-H+CF3COOH"	112.985586
"1293753"	355.020164	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Cl+CF3COOH"	148.962264
"1370091"	171.045224	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H-2H2O"	-35.012676
"1386496"	189.0552	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H-H2O"	-17.0027
"290925"	413.123076	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+H"	1.007276
"686262"	619.180976	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+H"	1.007276
"1357871"	207.065176	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H"	1.007276
"129670"	207.065176	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+2H"	2.014552
"576885"	310.094126	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+2H"	2.014552
"1039121"	104.036226	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2H"	2.014552
"207023"	138.379209333333	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+3H"	3.021828
"648772"	207.065176	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+3H"	3.021828
"1166897"	69.6932426666667	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+3H"	3.021828
"425794"	430.149623	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+NH4"	18.033823
"787879"	636.207523	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+NH4"	18.033823
"1682066"	224.091723	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+NH4"	18.033823
"331761"	215.5784495	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+H+NH4"	19.041099
"727099"	318.6073995	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+H+NH4"	19.041099
"1480919"	112.5494995	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H+NH4"	19.041099
"400689"	435.105018	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+Na"	22.989218
"758405"	641.162918	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+Na"	22.989218
"1607600"	229.047118	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Na"	22.989218
"319820"	218.056147	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+H+Na"	23.996494
"711151"	321.085097	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+H+Na"	23.996494
"1462789"	115.027197	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H+Na"	23.996494
"1055307"	77.0205566666667	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2H+Na"	25.00377
"1262090"	239.091386	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+CH3OH+H"	33.033486
"378476"	451.078958	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+K"	38.963158
"741662"	657.136858	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+K"	38.963158
"1544811"	245.021058	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+K"	38.963158
"305268"	226.043117	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+H+K"	39.970434
"694411"	329.072067	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+H+K"	39.970434
"1448231"	123.014167	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H+K"	39.970434
"236833"	454.149626	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+ACN+H"	42.033826
"1210631"	248.091726	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+ACN+H"	42.033826
"1196698"	124.549501	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+ACN+2H"	43.041102
"188765"	457.08696	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+2Na-H"	44.97116
"628772"	663.14486	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+2Na-H"	44.97116
"1142855"	251.02906	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2Na-H"	44.97116
"187369"	229.047118	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+2Na"	45.978436
"628028"	332.076068	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+2Na"	45.978436
"1131215"	126.018168	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2Na"	45.978436
"1412378"	84.3478706666667	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H+2Na"	46.985712
"1440848"	253.070646	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H+HCOOH"	47.012746
"229814"	234.08014	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+3H2O+2H"	56.04448
"1517877"	267.12269	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+IsoProp+H"	61.06479
"419751"	237.034088	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+Na+K"	61.952376
"782931"	340.063038	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+Na+K"	61.952376
"1672699"	134.005138	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Na+K"	61.952376
"260312"	476.131568	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+ACN+Na"	64.015768
"1229742"	270.073668	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+ACN+Na"	64.015768
"1715346"	270.097193	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+NH4+HCOOH"	64.039293
"1182888"	91.6751846666667	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+3Na"	68.967654
"1653874"	275.052588	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Na+HCOOH"	68.994688
"159279"	489.03484	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+2K-H"	76.91904
"603583"	695.09274	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+2K-H"	76.91904
"1087000"	282.97694	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2K-H"	76.91904
"143448"	245.021058	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"2M+2K"	77.926316
"582766"	348.050008	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"3M+2K"	77.926316
"1072264"	141.992108	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2K"	77.926316
"1105473"	284.991492	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2K+H"	78.933592
"1340764"	285.079107	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+DMSO+H"	79.021207
"1011483"	289.118276	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2ACN+H"	83.060376
"1531794"	290.111908	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+IsoProp+Na+H"	84.054008
"1000427"	145.062776	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+2ACN+2H"	84.067652
"1587519"	291.026528	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+K+HCOOH"	84.968628
"1414324"	321.058038	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+H+CF3COOH"	115.000138
"1147360"	165.576051	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+3ACN+2H"	125.094202
"1697146"	338.084585	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+NH4+CF3COOH"	132.026685
"1644839"	343.03998	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+Na+CF3COOH"	136.98208
"1576116"	359.01392	"C09012"	"Lathodoratin"	"C11H10O4"	"206.0579"	"M+K+CF3COOH"	152.95602
"814137"	442.1628	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M"	0
"981110"	423.14441	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-H2O-H"	-19.01839
"67166"	293.767924	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M-3H"	-3.021828
"513289"	441.155524	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M-3H"	-3.021828
"889999"	146.380324	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-3H"	-3.021828
"6386"	441.155524	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M-2H"	-2.014552
"447041"	662.236924	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M-2H"	-2.014552
"825935"	220.074124	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-2H"	-2.014552
"84833"	883.318324	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M-H"	-1.007276
"524393"	1325.481124	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M-H"	-1.007276
"896845"	441.155524	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-H"	-1.007276
"51103"	900.344871	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M-2H+NH4"	16.019271
"491755"	1342.507671	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M-2H+NH4"	16.019271
"867371"	458.182071	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-2H+NH4"	16.019271
"36365"	905.300266	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M-2H+Na"	20.974666
"483218"	1347.463066	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M-2H+Na"	20.974666
"852634"	463.137466	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-2H+Na"	20.974666
"1618536"	463.137466	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Na-2H"	20.974666
"95422"	459.143863	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M-H+Cl"	33.962126
"537172"	680.225263	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M-H+Cl"	33.962126
"930689"	238.062463	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-H+Cl"	33.962126
"267337"	919.295002	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+Cl"	34.969402
"661542"	1361.457802	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+Cl"	34.969402
"1272789"	477.132202	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Cl"	34.969402
"16622"	921.274206	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M-2H+K"	36.948606
"456551"	1363.437006	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M-2H+K"	36.948606
"833127"	479.111406	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-2H+K"	36.948606
"1556018"	479.111406	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+K-2H"	36.948606
"945360"	487.160994	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-H+HCOOH"	44.998194
"362477"	929.323801	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+HCOOH-H"	44.998201
"350011"	943.339451	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+Hac-H"	59.013851
"1497390"	501.176651	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Hac-H"	59.013851
"963837"	509.142951	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-H+NaCOOH"	66.980151
"114567"	477.132202	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+2Cl"	69.938804
"550601"	698.213602	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+2Cl"	69.938804
"1023289"	256.050802	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2Cl"	69.938804
"1246516"	521.081685	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Br"	78.918885
"1305438"	523.137672	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Cl+HCOOH"	80.974872
"1320376"	545.119629	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Cl+NaCOOH"	102.956829
"913872"	555.148386	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M-H+CF3COOH"	112.985586
"1290582"	591.125064	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Cl+CF3COOH"	148.962264
"1367280"	407.150124	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H-2H2O"	-35.012676
"1385513"	425.1601	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H-H2O"	-17.0027
"288119"	885.332876	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+H"	1.007276
"688193"	1327.495676	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+H"	1.007276
"1357981"	443.170076	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H"	1.007276
"130873"	443.170076	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+2H"	2.014552
"573716"	664.251476	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+2H"	2.014552
"1039231"	222.088676	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2H"	2.014552
"209321"	295.782476	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+3H"	3.021828
"655444"	443.170076	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+3H"	3.021828
"1169195"	148.394876	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+3H"	3.021828
"424928"	902.359423	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+NH4"	18.033823
"786533"	1344.522223	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+NH4"	18.033823
"1684322"	460.196623	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+NH4"	18.033823
"335877"	451.6833495	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+H+NH4"	19.041099
"726116"	672.7647495	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+H+NH4"	19.041099
"1481029"	230.6019495	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H+NH4"	19.041099
"396427"	907.314818	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+Na"	22.989218
"758516"	1349.477618	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+Na"	22.989218
"1606617"	465.152018	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Na"	22.989218
"317379"	454.161047	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+H+Na"	23.996494
"710169"	675.242447	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+H+Na"	23.996494
"1463140"	233.079647	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H+Na"	23.996494
"1055417"	155.72219	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2H+Na"	25.00377
"1262200"	475.196286	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+CH3OH+H"	33.033486
"382962"	923.288758	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+K"	38.963158
"743960"	1365.451558	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+K"	38.963158
"1551484"	481.125958	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+K"	38.963158
"303192"	462.148017	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+H+K"	39.970434
"696708"	683.229417	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+H+K"	39.970434
"1452714"	241.066617	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H+K"	39.970434
"238764"	926.359426	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+ACN+H"	42.033826
"1212567"	484.196626	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+ACN+H"	42.033826
"1195719"	242.601951	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+ACN+2H"	43.041102
"190778"	929.29676	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+2Na-H"	44.97116
"629085"	1371.45956	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+2Na-H"	44.97116
"1144430"	487.13396	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2Na-H"	44.97116
"188302"	465.152018	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+2Na"	45.978436
"627779"	686.233418	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+2Na"	45.978436
"1131083"	244.070618	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2Na"	45.978436
"1413831"	163.049504	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H+2Na"	46.985712
"1445095"	489.175546	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H+HCOOH"	47.012746
"234302"	470.18504	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+3H2O+2H"	56.04448
"1521269"	503.22759	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+IsoProp+H"	61.06479
"420955"	473.138988	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+Na+K"	61.952376
"780853"	694.220388	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+Na+K"	61.952376
"1676089"	252.057588	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Na+K"	61.952376
"263341"	948.341368	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+ACN+Na"	64.015768
"1229851"	506.178568	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+ACN+Na"	64.015768
"1722021"	506.202093	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+NH4+HCOOH"	64.039293
"1183001"	170.376818	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+3Na"	68.967654
"1655077"	511.157488	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Na+HCOOH"	68.994688
"159023"	961.24464	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+2K-H"	76.91904
"606973"	1403.40744	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+2K-H"	76.91904
"1089298"	519.08184	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2K-H"	76.91904
"144288"	481.125958	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"2M+2K"	77.926316
"583486"	702.207358	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"3M+2K"	77.926316
"1073468"	260.044558	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2K"	77.926316
"1108864"	521.096392	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2K+H"	78.933592
"1341968"	521.184007	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+DMSO+H"	79.021207
"1009406"	525.223176	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2ACN+H"	83.060376
"1527530"	526.216808	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+IsoProp+Na+H"	84.054008
"1000537"	263.115226	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+2ACN+2H"	84.067652
"1591766"	527.131428	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+K+HCOOH"	84.968628
"1419614"	557.162938	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+H+CF3COOH"	115.000138
"1155370"	283.628501	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+3ACN+2H"	125.094202
"1697872"	574.189485	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+NH4+CF3COOH"	132.026685
"1639480"	579.14488	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+Na+CF3COOH"	136.98208
"1576226"	595.11882	"C09013"	"Mallotochromene"	"C24H26O8"	"442.1628"	"M+K+CF3COOH"	152.95602
"814247"	272.1049	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M"	0
"980126"	253.08651	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"71651"	180.395990666667	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"513399"	271.097624	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"891201"	89.6943573333333	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"9777"	271.097624	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"452254"	407.150074	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"827139"	135.045174	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"87130"	543.202524	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"524503"	815.307424	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"897684"	271.097624	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"51213"	560.229071	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"491865"	832.333971	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"867602"	288.124171	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"35382"	565.184466	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"485878"	837.289366	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"858212"	293.079566	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1618997"	293.079566	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"95532"	289.085963	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"537282"	425.138413	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"937362"	153.033513	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"268989"	579.179202	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"662868"	851.284102	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1275638"	307.074302	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"16489"	581.158406	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"456661"	853.263306	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"833846"	309.053506	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1555922"	309.053506	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"946930"	317.103094	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"363684"	589.208001	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"353040"	603.223651	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1495677"	331.118751	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"960300"	339.085051	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"110541"	307.074302	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"551684"	443.126752	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1021570"	171.021852	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1242978"	351.023785	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1305792"	353.079772	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1320734"	375.061729	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"912156"	385.090486	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1290692"	421.067164	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1367133"	237.092224	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1385258"	255.1022	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"289319"	545.217076	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"685023"	817.321976	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1354812"	273.112176	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"136450"	273.112176	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"574919"	409.164626	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1040436"	137.059726	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"209431"	182.410542666667	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"653368"	273.112176	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1163348"	91.7089093333333	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"426016"	562.243623	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"788101"	834.348523	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1683341"	290.138723	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"334894"	281.6254495	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"728409"	417.6778995	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1480046"	145.5729995	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"397630"	567.199018	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"758626"	839.303918	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1606727"	295.094118	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"318947"	284.103147	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"710279"	420.155597	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1464105"	148.050697	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1058444"	99.0362233333333	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1267778"	305.138386	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"379792"	583.172958	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"744070"	855.277858	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1552688"	311.068058	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"312048"	292.090117	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"700098"	428.142567	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1456104"	156.037667	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"241426"	586.243626	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1215229"	314.138726	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1196923"	157.573001	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"191982"	589.18096	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"631547"	861.28586	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1144418"	317.07606	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"188204"	295.094118	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"628252"	431.146568	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1130907"	159.041668	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1413211"	106.363537333333	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1444719"	319.117646	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"234415"	300.12714	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1522595"	333.16969	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"421794"	303.081088	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"779870"	439.133538	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1676199"	167.028638	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"264179"	608.225568	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1228868"	336.120668	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1722131"	336.144193	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1184204"	113.690851333333	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1653001"	341.099588	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"158770"	621.12884	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"609999"	893.23374	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1089408"	349.02394	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"144036"	311.068058	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"584691"	447.120508	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1073578"	175.015608	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1108974"	351.038492	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1342078"	351.126107	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1009516"	355.165276	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1528734"	356.158908	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"1000647"	178.086276	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1591876"	357.073528	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1423004"	387.105038	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1158760"	198.599551	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1697048"	404.131585	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1645059"	409.08698	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1576336"	425.06092	"C09014"	"5-O-Methylalloptaeroxylin;Perforatin A"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"811078"	262.1205	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M"	0
"980236"	243.10211	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"69574"	173.739724	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"513509"	261.113224	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"888031"	86.366224	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"9887"	261.113224	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"446166"	392.173474	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"828342"	130.052974	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"85050"	523.233724	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"524613"	785.354224	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"903503"	261.113224	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"52416"	540.260271	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"494162"	802.380771	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"868684"	278.139771	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"35492"	545.215666	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"479426"	807.336166	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"858322"	283.095166	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1621298"	283.095166	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"96735"	279.101563	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"535932"	410.161813	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"937472"	148.041313	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"269099"	559.210402	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"663343"	821.330902	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1275749"	297.089902	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"17939"	561.189606	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"458959"	823.310106	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"833837"	299.069106	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1558061"	299.069106	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"948863"	307.118694	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"364889"	569.239201	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"352786"	583.254851	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1494692"	321.134351	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"960774"	329.100651	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"111016"	297.089902	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"552158"	428.150152	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1023875"	166.029652	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1243452"	341.039385	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1306267"	343.095372	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1321208"	365.077329	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"912995"	375.106086	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1290802"	411.082764	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1368233"	227.107824	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1385732"	245.1178	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"291617"	525.248276	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"685133"	787.368776	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1354922"	263.127776	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"136560"	263.127776	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"573936"	394.188026	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1043830"	132.067526	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"212821"	175.754276	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"648009"	263.127776	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1163459"	88.380776	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"426126"	542.274823	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"787119"	804.395323	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1685636"	280.154323	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"337190"	271.6410495	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"728519"	402.7012995	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1481249"	140.5807995	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"394825"	547.230218	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"755334"	809.350718	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1606837"	285.109718	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"319057"	274.118747	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"708321"	405.178997	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1467493"	143.058497	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1060739"	95.70809	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1261327"	295.153986	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"379902"	563.204158	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"744180"	825.324658	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1551705"	301.083658	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"312158"	282.105717	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"703488"	413.165967	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1457307"	151.045467	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"243723"	566.274826	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1215338"	304.154326	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1201406"	152.580801	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"197558"	569.21216	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"632751"	831.33266	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1142821"	307.09166	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"186480"	285.109718	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"628240"	416.169968	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1130764"	154.049468	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1413444"	103.035404	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1444584"	309.133246	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"234524"	290.14274	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1521124"	323.18529	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"421175"	293.096688	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"777793"	424.156938	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1675216"	162.036438	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"263925"	588.256768	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1230072"	326.136268	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1722241"	326.159793	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1183221"	110.362718	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1652019"	331.115188	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"159973"	601.16004	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"609379"	863.28054	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1096078"	339.03954	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"146332"	301.083658	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"586988"	432.143908	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1079155"	170.023408	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1111271"	341.054092	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1347655"	341.141707	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1015092"	345.180876	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1532124"	346.174508	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"1000757"	173.094076	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1591986"	347.089128	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1423114"	377.120638	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1158870"	193.607351	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1697242"	394.147185	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1645169"	399.10258	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1576446"	415.07652	"C09015"	"Methylripariochromene A"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"813373"	290.1154	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M"	0
"977066"	271.09701	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-H2O-H"	-19.01839
"74058"	192.402990666667	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M-3H"	-3.021828
"513619"	289.108124	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M-3H"	-3.021828
"890328"	95.6978573333333	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-3H"	-3.021828
"8903"	289.108124	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M-2H"	-2.014552
"446276"	434.165824	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M-2H"	-2.014552
"827360"	144.050424	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-2H"	-2.014552
"86253"	579.223524	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M-H"	-1.007276
"526906"	869.338924	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M-H"	-1.007276
"899239"	289.108124	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-H"	-1.007276
"53618"	596.250071	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M-2H+NH4"	16.019271
"495365"	886.365471	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M-2H+NH4"	16.019271
"868794"	306.134671	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-2H+NH4"	16.019271
"36695"	601.205466	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M-2H+Na"	20.974666
"480629"	891.320866	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M-2H+Na"	20.974666
"858432"	311.090066	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-2H+Na"	20.974666
"1619461"	311.090066	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Na-2H"	20.974666
"95750"	307.096463	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M-H+Cl"	33.962126
"536043"	452.154163	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M-H+Cl"	33.962126
"934302"	162.038763	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-H+Cl"	33.962126
"271031"	615.200202	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+Cl"	34.969402
"663817"	905.315602	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+Cl"	34.969402
"1276952"	325.084802	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Cl"	34.969402
"18413"	617.179406	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M-2H+K"	36.948606
"459069"	907.294806	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M-2H+K"	36.948606
"833583"	327.064006	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-2H+K"	36.948606
"1556709"	327.064006	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+K-2H"	36.948606
"945690"	335.113594	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-H+HCOOH"	44.998194
"364636"	625.229001	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+HCOOH-H"	44.998201
"349614"	639.244651	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+Hac-H"	59.013851
"1497720"	349.129251	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Hac-H"	59.013851
"961251"	357.095551	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-H+NaCOOH"	66.980151
"111005"	325.084802	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+2Cl"	69.938804
"554456"	470.142502	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+2Cl"	69.938804
"1024714"	180.027102	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2Cl"	69.938804
"1245022"	369.034285	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Br"	78.918885
"1309294"	371.090272	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Cl+HCOOH"	80.974872
"1323873"	393.072229	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Cl+NaCOOH"	102.956829
"914198"	403.100986	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M-H+CF3COOH"	112.985586
"1295287"	439.077664	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Cl+CF3COOH"	148.962264
"1369438"	255.102724	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H-2H2O"	-35.012676
"1384747"	273.1127	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H-H2O"	-17.0027
"291727"	581.238076	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+H"	1.007276
"687429"	871.353476	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+H"	1.007276
"1357218"	291.122676	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H"	1.007276
"135577"	291.122676	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+2H"	2.014552
"574044"	436.180376	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+2H"	2.014552
"1048313"	146.064976	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2H"	2.014552
"214025"	194.417542666667	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+3H"	3.021828
"648119"	291.122676	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+3H"	3.021828
"1165150"	97.7124093333334	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+3H"	3.021828
"428423"	598.264623	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+NH4"	18.033823
"786177"	888.380023	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+NH4"	18.033823
"1689025"	308.149223	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+NH4"	18.033823
"336208"	299.6359495	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+H+NH4"	19.041099
"727537"	444.6936495	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+H+NH4"	19.041099
"1482452"	154.5782495	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H+NH4"	19.041099
"394205"	603.220018	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+Na"	22.989218
"755928"	893.335418	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+Na"	22.989218
"1604877"	313.104618	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Na"	22.989218
"318073"	302.113647	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+H+Na"	23.996494
"710495"	447.171347	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+H+Na"	23.996494
"1468696"	157.055947	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H+Na"	23.996494
"1063035"	105.039723333333	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2H+Na"	25.00377
"1262529"	323.148886	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+CH3OH+H"	33.033486
"383291"	619.193958	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+K"	38.963158
"742104"	909.309358	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+K"	38.963158
"1550722"	329.078558	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+K"	38.963158
"311175"	310.100617	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+H+K"	39.970434
"701412"	455.158317	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+H+K"	39.970434
"1456324"	165.042917	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H+K"	39.970434
"243833"	622.264626	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+ACN+H"	42.033826
"1216541"	332.149226	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+ACN+H"	42.033826
"1199330"	166.578251	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+ACN+2H"	43.041102
"196575"	625.20196	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+2Na-H"	44.97116
"636139"	915.31736	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+2Na-H"	44.97116
"1137463"	335.08656	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2Na-H"	44.97116
"185130"	313.104618	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+2Na"	45.978436
"626880"	458.162318	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+2Na"	45.978436
"1130508"	168.046918	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2Na"	45.978436
"1411724"	112.367037333333	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H+2Na"	46.985712
"1442017"	337.128146	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H+HCOOH"	47.012746
"234266"	318.13764	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+3H2O+2H"	56.04448
"1521234"	351.18019	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+IsoProp+H"	61.06479
"419464"	321.091588	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+Na+K"	61.952376
"778996"	466.149288	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+Na+K"	61.952376
"1675326"	176.033888	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Na+K"	61.952376
"262940"	644.246568	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+ACN+Na"	64.015768
"1230182"	354.131168	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+ACN+Na"	64.015768
"1715791"	354.154693	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+NH4+HCOOH"	64.039293
"1180172"	119.694351333333	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+3Na"	68.967654
"1654316"	359.110088	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Na+HCOOH"	68.994688
"162269"	657.14984	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+2K-H"	76.91904
"606205"	947.26524	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+2K-H"	76.91904
"1097651"	367.03444	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2K-H"	76.91904
"154101"	329.078558	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"2M+2K"	77.926316
"593660"	474.136258	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"3M+2K"	77.926316
"1074893"	184.020858	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2K"	77.926316
"1109194"	369.048992	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2K+H"	78.933592
"1344486"	369.136607	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+DMSO+H"	79.021207
"1017391"	373.175776	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2ACN+H"	83.060376
"1534422"	374.169408	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+IsoProp+Na+H"	84.054008
"997589"	187.091526	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+2ACN+2H"	84.067652
"1598660"	375.084028	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+K+HCOOH"	84.968628
"1425411"	405.115538	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+H+CF3COOH"	115.000138
"1157887"	207.604801	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+3ACN+2H"	125.094202
"1697594"	422.142085	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+NH4+CF3COOH"	132.026685
"1645279"	427.09748	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+Na+CF3COOH"	136.98208
"1576556"	443.07142	"C09016"	"5-O-Methylvisamminol"	"C16H18O5"	"290.1154"	"M+K+CF3COOH"	152.95602
"812390"	190.0994	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M"	0
"977176"	171.08101	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-H2O-H"	-19.01839
"70887"	125.725657333333	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M-3H"	-3.021828
"507166"	189.092124	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M-3H"	-3.021828
"886062"	62.3591906666667	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-3H"	-3.021828
"6825"	189.092124	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M-2H"	-2.014552
"446386"	284.141824	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M-2H"	-2.014552
"828563"	94.042424	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-2H"	-2.014552
"85270"	379.191524	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M-H"	-1.007276
"527016"	569.290924	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M-H"	-1.007276
"899349"	189.092124	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-H"	-1.007276
"52635"	396.218071	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M-2H+NH4"	16.019271
"493288"	586.317471	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M-2H+NH4"	16.019271
"869997"	206.118671	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-2H+NH4"	16.019271
"37898"	401.173466	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M-2H+Na"	20.974666
"479646"	591.272866	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M-2H+Na"	20.974666
"855262"	211.074066	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-2H+Na"	20.974666
"1620421"	211.074066	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Na-2H"	20.974666
"96224"	207.080463	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M-H+Cl"	33.962126
"539798"	302.130163	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M-H+Cl"	33.962126
"936598"	112.030763	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-H+Cl"	33.962126
"271140"	415.168202	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+Cl"	34.969402
"662468"	605.267602	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+Cl"	34.969402
"1276696"	225.068802	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Cl"	34.969402
"18523"	417.147406	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M-2H+K"	36.948606
"459542"	607.246806	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M-2H+K"	36.948606
"834790"	227.048006	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-2H+K"	36.948606
"1555721"	227.048006	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+K-2H"	36.948606
"946528"	235.097594	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-H+HCOOH"	44.998194
"364380"	425.197001	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+HCOOH-H"	44.998201
"347901"	439.212651	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+Hac-H"	59.013851
"1498923"	249.113251	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Hac-H"	59.013851
"961361"	257.079551	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-H+NaCOOH"	66.980151
"116466"	225.068802	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+2Cl"	69.938804
"553839"	320.118502	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+2Cl"	69.938804
"1023364"	130.019102	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2Cl"	69.938804
"1245496"	269.018285	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Br"	78.918885
"1309040"	271.074272	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Cl+HCOOH"	80.974872
"1323619"	293.056229	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Cl+NaCOOH"	102.956829
"912487"	303.084986	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M-H+CF3COOH"	112.985586
"1292117"	339.061664	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Cl+CF3COOH"	148.962264
"1369184"	155.086724	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H-2H2O"	-35.012676
"1385221"	173.0967	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H-H2O"	-17.0027
"286369"	381.206076	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+H"	1.007276
"686446"	571.305476	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+H"	1.007276
"1357328"	191.106676	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H"	1.007276
"134592"	191.106676	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+2H"	2.014552
"571966"	286.156376	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+2H"	2.014552
"1044048"	96.056976	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2H"	2.014552
"213042"	127.740209333333	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+3H"	3.021828
"650416"	191.106676	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+3H"	3.021828
"1168540"	64.3737426666667	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+3H"	3.021828
"429626"	398.232623	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+NH4"	18.033823
"787340"	588.332023	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+NH4"	18.033823
"1686949"	208.133223	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+NH4"	18.033823
"335225"	199.6199495	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+H+NH4"	19.041099
"726554"	294.6696495	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+H+NH4"	19.041099
"1481469"	104.5702495	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H+NH4"	19.041099
"396867"	403.188018	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+Na"	22.989218
"756769"	593.287418	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+Na"	22.989218
"1604258"	213.088618	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Na"	22.989218
"320371"	202.097647	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+H+Na"	23.996494
"709876"	297.147347	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+H+Na"	23.996494
"1462244"	107.047947	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H+Na"	23.996494
"1062052"	71.7010566666667	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2H+Na"	25.00377
"1264824"	223.132886	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+CH3OH+H"	33.033486
"383401"	419.161958	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+K"	38.963158
"743306"	609.261358	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+K"	38.963158
"1549735"	229.062558	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+K"	38.963158
"310192"	210.084617	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+H+K"	39.970434
"698242"	305.134317	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+H+K"	39.970434
"1455341"	115.034917	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H+K"	39.970434
"241753"	422.232626	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+ACN+H"	42.033826
"1216650"	232.133226	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+ACN+H"	42.033826
"1201626"	116.570251	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+ACN+2H"	43.041102
"189756"	425.16996	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+2Na-H"	44.97116
"637340"	615.26936	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+2Na-H"	44.97116
"1144130"	235.07056	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2Na-H"	44.97116
"181960"	213.088618	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+2Na"	45.978436
"626626"	308.138318	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+2Na"	45.978436
"1131246"	118.038918	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2Na"	45.978436
"1410375"	79.0283706666667	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H+2Na"	46.985712
"1445561"	237.112146	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H+HCOOH"	47.012746
"235389"	218.12164	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+3H2O+2H"	56.04448
"1519156"	251.16419	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+IsoProp+H"	61.06479
"422123"	221.075588	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+Na+K"	61.952376
"779106"	316.125288	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+Na+K"	61.952376
"1677622"	126.025888	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Na+K"	61.952376
"261957"	444.214568	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+ACN+Na"	64.015768
"1232478"	254.115168	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+ACN+Na"	64.015768
"1715171"	254.138693	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+NH4+HCOOH"	64.039293
"1181253"	86.3556846666667	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+3Na"	68.967654
"1654425"	259.094088	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Na+HCOOH"	68.994688
"162379"	457.11784	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+2K-H"	76.91904
"605222"	647.21724	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+2K-H"	76.91904
"1089736"	267.01844	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2K-H"	76.91904
"149832"	229.062558	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"2M+2K"	77.926316
"587204"	324.112258	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"3M+2K"	77.926316
"1075002"	134.012858	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2K"	77.926316
"1103834"	269.032992	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2K+H"	78.933592
"1342408"	269.120607	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+DMSO+H"	79.021207
"1016407"	273.159776	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2ACN+H"	83.060376
"1527971"	274.153408	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+IsoProp+Na+H"	84.054008
"995509"	137.083526	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+2ACN+2H"	84.067652
"1600228"	275.068028	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+K+HCOOH"	84.968628
"1424428"	305.099538	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+H+CF3COOH"	115.000138
"1157997"	157.596801	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+3ACN+2H"	125.094202
"1697583"	322.126085	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+NH4+CF3COOH"	132.026685
"1645389"	327.08148	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+Na+CF3COOH"	136.98208
"1576666"	343.05542	"C09017"	"Precocene I;Precocene 1"	"C12H14O2"	"190.0994"	"M+K+CF3COOH"	152.95602
"813593"	220.1099	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M"	0
"977286"	201.09151	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-H2O-H"	-19.01839
"68810"	145.732657333333	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M-3H"	-3.021828
"507276"	219.102624	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M-3H"	-3.021828
"882891"	72.3626906666667	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-3H"	-3.021828
"3654"	219.102624	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M-2H"	-2.014552
"443214"	329.157574	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M-2H"	-2.014552
"823205"	109.047674	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-2H"	-2.014552
"80036"	439.212524	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M-H"	-1.007276
"522753"	659.322424	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M-H"	-1.007276
"897272"	219.102624	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-H"	-1.007276
"50557"	456.239071	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M-2H+NH4"	16.019271
"490118"	676.348971	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M-2H+NH4"	16.019271
"866827"	236.129171	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-2H+NH4"	16.019271
"33635"	461.194466	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M-2H+Na"	20.974666
"477569"	681.304366	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M-2H+Na"	20.974666
"852090"	241.084566	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-2H+Na"	20.974666
"1620530"	241.084566	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Na-2H"	20.974666
"97063"	237.090963	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M-H+Cl"	33.962126
"539908"	347.145913	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M-H+Cl"	33.962126
"937802"	127.036013	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-H+Cl"	33.962126
"271617"	475.189202	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+Cl"	34.969402
"663673"	695.299102	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+Cl"	34.969402
"1273525"	255.079302	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Cl"	34.969402
"15791"	477.168406	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M-2H+K"	36.948606
"458559"	697.278306	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M-2H+K"	36.948606
"833069"	257.058506	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-2H+K"	36.948606
"1555642"	257.058506	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+K-2H"	36.948606
"942816"	265.108094	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-H+HCOOH"	44.998194
"362302"	485.218001	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+HCOOH-H"	44.998201
"347647"	499.233651	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+Hac-H"	59.013851
"1500127"	279.123751	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Hac-H"	59.013851
"961471"	287.090051	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-H+NaCOOH"	66.980151
"114389"	255.079302	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+2Cl"	69.938804
"552123"	365.134252	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+2Cl"	69.938804
"1023474"	145.024352	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2Cl"	69.938804
"1244877"	299.028785	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Br"	78.918885
"1309150"	301.084772	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Cl+HCOOH"	80.974872
"1324093"	323.066729	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Cl+NaCOOH"	102.956829
"912598"	333.095486	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M-H+CF3COOH"	112.985586
"1292591"	369.072164	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Cl+CF3COOH"	148.962264
"1371480"	185.097224	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H-2H2O"	-35.012676
"1384968"	203.1072	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H-H2O"	-17.0027
"285017"	441.227076	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+H"	1.007276
"677440"	661.336976	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+H"	1.007276
"1353791"	221.117176	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H"	1.007276
"130328"	221.117176	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+2H"	2.014552
"568794"	331.172126	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+2H"	2.014552
"1045250"	111.062226	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2H"	2.014552
"209871"	147.747209333333	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+3H"	3.021828
"645057"	221.117176	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+3H"	3.021828
"1163179"	74.3772426666667	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+3H"	3.021828
"424871"	458.253623	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+NH4"	18.033823
"787082"	678.363523	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+NH4"	18.033823
"1687060"	238.143723	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+NH4"	18.033823
"333150"	229.6304495	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+H+NH4"	19.041099
"725568"	339.6853995	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+H+NH4"	19.041099
"1478662"	119.5754995	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H+NH4"	19.041099
"394425"	463.209018	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+Na"	22.989218
"756880"	683.318918	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+Na"	22.989218
"1606068"	243.099118	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Na"	22.989218
"317203"	232.108147	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+H+Na"	23.996494
"708530"	342.163097	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+H+Na"	23.996494
"1461864"	122.053197	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H+Na"	23.996494
"1061069"	81.7045566666667	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2H+Na"	25.00377
"1262748"	253.143386	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+CH3OH+H"	33.033486
"383511"	479.182958	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+K"	38.963158
"743413"	699.292858	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+K"	38.963158
"1549845"	259.073058	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+K"	38.963158
"309209"	240.095117	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+H+K"	39.970434
"699444"	350.150067	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+H+K"	39.970434
"1453263"	130.040167	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H+K"	39.970434
"240771"	482.253626	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+ACN+H"	42.033826
"1212385"	262.143726	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+ACN+H"	42.033826
"1198456"	131.575501	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+ACN+2H"	43.041102
"192421"	485.19096	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+2Na-H"	44.97116
"635262"	705.30086	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+2Na-H"	44.97116
"1143147"	265.08106	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2Na-H"	44.97116
"185341"	243.099118	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+2Na"	45.978436
"625634"	353.154068	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+2Na"	45.978436
"1126955"	133.044168	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2Na"	45.978436
"1409748"	89.0318706666667	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H+2Na"	46.985712
"1437490"	267.122646	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H+HCOOH"	47.012746
"222814"	248.13214	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+3H2O+2H"	56.04448
"1514162"	281.17469	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+IsoProp+H"	61.06479
"416034"	251.086088	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+Na+K"	61.952376
"774843"	361.141038	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+Na+K"	61.952376
"1671173"	141.031138	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Na+K"	61.952376
"260973"	504.235568	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+ACN+Na"	64.015768
"1228214"	284.125668	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+ACN+Na"	64.015768
"1714917"	284.149193	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+NH4+HCOOH"	64.039293
"1183550"	96.3591846666667	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+3Na"	68.967654
"1655628"	289.104588	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Na+HCOOH"	68.994688
"159209"	517.13884	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+2K-H"	76.91904
"603145"	737.24874	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+2K-H"	76.91904
"1088752"	297.02894	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2K-H"	76.91904
"147755"	259.073058	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"2M+2K"	77.926316
"586220"	369.128008	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"3M+2K"	77.926316
"1072925"	149.018108	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2K"	77.926316
"1102122"	299.043492	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2K+H"	78.933592
"1340331"	299.131107	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+DMSO+H"	79.021207
"1009955"	303.170276	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2ACN+H"	83.060376
"1528077"	304.163908	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+IsoProp+Na+H"	84.054008
"991245"	152.088776	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+2ACN+2H"	84.067652
"1601067"	305.078528	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+K+HCOOH"	84.968628
"1423445"	335.110038	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+H+CF3COOH"	115.000138
"1158107"	172.602051	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+3ACN+2H"	125.094202
"1697208"	352.136585	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+NH4+CF3COOH"	132.026685
"1645499"	357.09198	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+Na+CF3COOH"	136.98208
"1576776"	373.06592	"C09018"	"Precocene II;Precocene 2"	"C13H16O3"	"220.1099"	"M+K+CF3COOH"	152.95602
"813703"	338.1994	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M"	0
"977396"	319.18101	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-H2O-H"	-19.01839
"71107"	224.458990666667	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M-3H"	-3.021828
"507386"	337.192124	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M-3H"	-3.021828
"886278"	111.725857333333	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-3H"	-3.021828
"9229"	337.192124	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M-2H"	-2.014552
"447697"	506.291824	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M-2H"	-2.014552
"825502"	168.092424	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-2H"	-2.014552
"85490"	675.391524	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M-H"	-1.007276
"523956"	1013.590924	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M-H"	-1.007276
"897257"	337.192124	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-H"	-1.007276
"52853"	692.418071	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M-2H+NH4"	16.019271
"490227"	1030.617471	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M-2H+NH4"	16.019271
"869123"	354.218671	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-2H+NH4"	16.019271
"37025"	697.373466	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M-2H+Na"	20.974666
"477679"	1035.572866	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M-2H+Na"	20.974666
"851107"	359.174066	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-2H+Na"	20.974666
"1619668"	359.174066	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Na-2H"	20.974666
"95468"	355.180463	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M-H+Cl"	33.962126
"536734"	524.280163	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M-H+Cl"	33.962126
"937912"	186.080763	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-H+Cl"	33.962126
"272091"	711.368202	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+Cl"	34.969402
"663783"	1049.567602	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+Cl"	34.969402
"1275458"	373.168802	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Cl"	34.969402
"17649"	713.347406	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M-2H+K"	36.948606
"460855"	1051.546806	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M-2H+K"	36.948606
"833226"	375.148006	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-2H+K"	36.948606
"1555740"	375.148006	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+K-2H"	36.948606
"945652"	383.197594	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-H+HCOOH"	44.998194
"364234"	721.397001	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+HCOOH-H"	44.998201
"349943"	735.412651	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+Hac-H"	59.013851
"1496957"	397.213251	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Hac-H"	59.013851
"961578"	405.179551	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-H+NaCOOH"	66.980151
"113770"	373.168802	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+2Cl"	69.938804
"553327"	542.268502	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+2Cl"	69.938804
"1025407"	204.069102	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2Cl"	69.938804
"1245716"	417.118285	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Br"	78.918885
"1308162"	419.174272	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Cl+HCOOH"	80.974872
"1322378"	441.156229	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Cl+NaCOOH"	102.956829
"913436"	451.184986	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M-H+CF3COOH"	112.985586
"1292701"	487.161664	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Cl+CF3COOH"	148.962264
"1371590"	303.186724	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H-2H2O"	-35.012676
"1385078"	321.1967	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H-H2O"	-17.0027
"284152"	677.406076	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+H"	1.007276
"679007"	1015.605476	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+H"	1.007276
"1354265"	339.206676	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H"	1.007276
"130438"	339.206676	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+2H"	2.014552
"568175"	508.306376	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+2H"	2.014552
"1044266"	170.106976	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2H"	2.014552
"211073"	226.473542666667	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+3H"	3.021828
"649540"	339.206676	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+3H"	3.021828
"1165113"	113.740409333333	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+3H"	3.021828
"425099"	694.432623	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+NH4"	18.033823
"787921"	1032.632023	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+NH4"	18.033823
"1686077"	356.233223	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+NH4"	18.033823
"333259"	347.7199495	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+H+NH4"	19.041099
"725679"	516.8196495	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+H+NH4"	19.041099
"1479503"	178.6202495	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H+NH4"	19.041099
"398179"	699.388018	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+Na"	22.989218
"756989"	1037.587418	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+Na"	22.989218
"1605086"	361.188618	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Na"	22.989218
"317313"	350.197647	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+H+Na"	23.996494
"709732"	519.297347	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+H+Na"	23.996494
"1462097"	181.097947	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H+Na"	23.996494
"1060086"	121.067723333333	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2H+Na"	25.00377
"1263951"	371.232886	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+CH3OH+H"	33.033486
"381433"	715.361958	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+K"	38.963158
"745709"	1053.561358	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+K"	38.963158
"1541202"	377.162558	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+K"	38.963158
"303849"	358.184617	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+H+K"	39.970434
"696271"	527.284317	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+H+K"	39.970434
"1451184"	189.084917	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H+K"	39.970434
"243070"	718.432626	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+ACN+H"	42.033826
"1212495"	380.233226	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+ACN+H"	42.033826
"1199661"	190.620251	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+ACN+2H"	43.041102
"191437"	721.36996	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+2Na-H"	44.97116
"630025"	1059.56936	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+2Na-H"	44.97116
"1139973"	383.17056	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2Na-H"	44.97116
"181075"	361.188618	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+2Na"	45.978436
"625742"	530.288318	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+2Na"	45.978436
"1129981"	192.088918	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2Na"	45.978436
"1409493"	128.395037333333	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H+2Na"	46.985712
"1438694"	385.212146	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H+HCOOH"	47.012746
"223652"	366.22164	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+3H2O+2H"	56.04448
"1516458"	399.26419	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+IsoProp+H"	61.06479
"417237"	369.175588	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+Na+K"	61.952376
"778232"	538.275288	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+Na+K"	61.952376
"1673469"	200.075888	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Na+K"	61.952376
"263269"	740.414568	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+ACN+Na"	64.015768
"1233791"	402.215168	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+ACN+Na"	64.015768
"1720492"	402.238693	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+NH4+HCOOH"	64.039293
"1185846"	135.722351333333	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+3Na"	68.967654
"1654645"	407.194088	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Na+HCOOH"	68.994688
"164786"	753.31784	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+2K-H"	76.91904
"606535"	1091.51724	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+2K-H"	76.91904
"1088860"	415.11844	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2K-H"	76.91904
"148957"	377.162558	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"2M+2K"	77.926316
"584143"	546.262258	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"3M+2K"	77.926316
"1077409"	208.062858	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2K"	77.926316
"1105148"	417.132992	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2K+H"	78.933592
"1342627"	417.220607	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+DMSO+H"	79.021207
"1013344"	421.259776	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2ACN+H"	83.060376
"1528187"	422.253408	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+IsoProp+Na+H"	84.054008
"993542"	211.133526	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+2ACN+2H"	84.067652
"1599720"	423.168028	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+K+HCOOH"	84.968628
"1420275"	453.199538	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+H+CF3COOH"	115.000138
"1158217"	231.646801	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+3ACN+2H"	125.094202
"1700113"	470.226085	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+NH4+CF3COOH"	132.026685
"1645609"	475.18148	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+Na+CF3COOH"	136.98208
"1576886"	491.15542	"C09019"	"1-Acetylaspidoalbidine"	"C21H26N2O2"	"338.1994"	"M+K+CF3COOH"	152.95602
"810533"	424.1271	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M"	0
"984068"	405.10871	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-H2O-H"	-19.01839
"67937"	281.744124	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M-3H"	-3.021828
"505674"	423.119824	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M-3H"	-3.021828
"885299"	140.368424	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-3H"	-3.021828
"7153"	423.119824	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M-2H"	-2.014552
"442705"	635.183374	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M-2H"	-2.014552
"822327"	211.056274	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-2H"	-2.014552
"86692"	847.246924	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M-H"	-1.007276
"526252"	1271.374024	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M-H"	-1.007276
"896275"	423.119824	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-H"	-1.007276
"52963"	864.273471	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M-2H+NH4"	16.019271
"491429"	1288.400571	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M-2H+NH4"	16.019271
"866318"	440.146371	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-2H+NH4"	16.019271
"40417"	869.228866	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M-2H+Na"	20.974666
"481070"	1293.355966	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M-2H+Na"	20.974666
"852312"	445.101766	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-2H+Na"	20.974666
"1624032"	445.101766	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Na-2H"	20.974666
"95335"	441.108163	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M-H+Cl"	33.962126
"537944"	653.171713	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M-H+Cl"	33.962126
"936928"	229.044613	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-H+Cl"	33.962126
"270014"	883.223602	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+Cl"	34.969402
"666081"	1307.350702	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+Cl"	34.969402
"1276297"	459.096502	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Cl"	34.969402
"17759"	885.202806	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M-2H+K"	36.948606
"461330"	1309.329906	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M-2H+K"	36.948606
"837308"	461.075706	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-2H+K"	36.948606
"1561161"	461.075706	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+K-2H"	36.948606
"948316"	469.125294	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-H+HCOOH"	44.998194
"365074"	893.252401	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+HCOOH-H"	44.998201
"349323"	907.268051	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+Hac-H"	59.013851
"1498160"	483.140951	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Hac-H"	59.013851
"961329"	491.107251	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-H+NaCOOH"	66.980151
"112786"	459.096502	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+2Cl"	69.938804
"553439"	671.160052	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+2Cl"	69.938804
"1023332"	247.032952	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2Cl"	69.938804
"1243640"	503.045985	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Br"	78.918885
"1310463"	505.101972	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Cl+HCOOH"	80.974872
"1322858"	527.083929	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Cl+NaCOOH"	102.956829
"913551"	537.112686	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M-H+CF3COOH"	112.985586
"1289893"	573.089364	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Cl+CF3COOH"	148.962264
"1368419"	389.114424	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H-2H2O"	-35.012676
"1384820"	407.1244	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H-H2O"	-17.0027
"283331"	849.261476	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+H"	1.007276
"677656"	1273.388576	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+H"	1.007276
"1353646"	425.134376	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H"	1.007276
"127266"	425.134376	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+2H"	2.014552
"568284"	637.197926	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+2H"	2.014552
"1042188"	213.070826	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2H"	2.014552
"210089"	283.758676	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+3H"	3.021828
"649651"	425.134376	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+3H"	3.021828
"1163400"	142.382976	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+3H"	3.021828
"424970"	866.288023	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+NH4"	18.033823
"787303"	1290.415123	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+NH4"	18.033823
"1688372"	442.160923	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+NH4"	18.033823
"333005"	433.6476495	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+H+NH4"	19.041099
"725062"	645.7111995	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+H+NH4"	19.041099
"1479977"	221.5840995	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H+NH4"	19.041099
"397196"	871.243418	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+Na"	22.989218
"756371"	1295.370518	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+Na"	22.989218
"1606290"	447.116318	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Na"	22.989218
"315964"	436.125347	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+H+Na"	23.996494
"710934"	648.188897	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+H+Na"	23.996494
"1464760"	224.061797	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H+Na"	23.996494
"1060196"	149.71029	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2H+Na"	25.00377
"1265156"	457.160586	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+CH3OH+H"	33.033486
"380451"	887.217358	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+K"	38.963158
"744729"	1311.344458	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+K"	38.963158
"1543503"	463.090258	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+K"	38.963158
"302866"	444.112317	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+H+K"	39.970434
"698567"	656.175867	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+H+K"	39.970434
"1450203"	232.048767	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H+K"	39.970434
"243180"	890.288026	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+ACN+H"	42.033826
"1212606"	466.160926	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+ACN+H"	42.033826
"1199770"	233.584101	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+ACN+2H"	43.041102
"191548"	893.22536	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+2Na-H"	44.97116
"632202"	1317.35246	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+2Na-H"	44.97116
"1143730"	469.09826	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2Na-H"	44.97116
"188122"	447.116318	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+2Na"	45.978436
"625131"	659.179868	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+2Na"	45.978436
"1127542"	235.052768	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2Na"	45.978436
"1410699"	157.037604	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H+2Na"	46.985712
"1436620"	471.139846	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H+HCOOH"	47.012746
"225222"	452.14934	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+3H2O+2H"	56.04448
"1517661"	485.19189	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+IsoProp+H"	61.06479
"420627"	455.103288	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+Na+K"	61.952376
"779436"	667.166838	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+Na+K"	61.952376
"1675769"	243.039738	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Na+K"	61.952376
"260099"	912.269968	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+ACN+Na"	64.015768
"1234997"	488.142868	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+ACN+Na"	64.015768
"1720603"	488.166393	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+NH4+HCOOH"	64.039293
"1188144"	164.364918	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+3Na"	68.967654
"1659129"	493.121788	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Na+HCOOH"	68.994688
"167086"	925.17324	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+2K-H"	76.91904
"607738"	1349.30034	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+2K-H"	76.91904
"1088970"	501.04614	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2K-H"	76.91904
"147974"	463.090258	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"2M+2K"	77.926316
"590815"	675.153808	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"3M+2K"	77.926316
"1076426"	251.026708	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2K"	77.926316
"1105258"	503.060692	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2K+H"	78.933592
"1343830"	503.148307	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+DMSO+H"	79.021207
"1013454"	507.187476	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2ACN+H"	83.060376
"1527204"	508.181108	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+IsoProp+Na+H"	84.054008
"996932"	254.097376	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+2ACN+2H"	84.067652
"1599466"	509.095728	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+K+HCOOH"	84.968628
"1422571"	539.127238	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+H+CF3COOH"	115.000138
"1156140"	274.610651	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+3ACN+2H"	125.094202
"1706784"	556.153785	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+NH4+CF3COOH"	132.026685
"1635145"	561.10918	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+Na+CF3COOH"	136.98208
"1576996"	577.08312	"C09020"	"Adifoline"	"C22H20N2O7"	"424.1271"	"M+K+CF3COOH"	152.95602
"816110"	324.1838	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M"	0
"988431"	305.16541	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-H2O-H"	-19.01839
"70234"	215.115257333333	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M-3H"	-3.021828
"510887"	323.176524	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M-3H"	-3.021828
"888689"	107.053990666667	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-3H"	-3.021828
"9449"	323.176524	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M-2H"	-2.014552
"442452"	485.268424	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M-2H"	-2.014552
"822439"	161.084624	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-2H"	-2.014552
"87897"	647.360324	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M-H"	-1.007276
"527456"	971.544124	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M-H"	-1.007276
"896632"	323.176524	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-H"	-1.007276
"54168"	664.386871	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M-2H+NH4"	16.019271
"490447"	988.570671	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M-2H+NH4"	16.019271
"867157"	340.203071	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-2H+NH4"	16.019271
"40527"	669.342266	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M-2H+Na"	20.974666
"481180"	993.526066	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M-2H+Na"	20.974666
"850235"	345.158466	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-2H+Na"	20.974666
"1621955"	345.158466	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Na-2H"	20.974666
"101767"	341.164863	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M-H+Cl"	33.962126
"539140"	503.256763	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M-H+Cl"	33.962126
"934851"	179.072963	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-H+Cl"	33.962126
"271582"	683.337002	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+Cl"	34.969402
"664005"	1007.520802	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+Cl"	34.969402
"1277137"	359.153202	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Cl"	34.969402
"17869"	685.316206	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M-2H+K"	36.948606
"460712"	1009.500006	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M-2H+K"	36.948606
"835962"	361.132406	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-2H+K"	36.948606
"1561637"	361.132406	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+K-2H"	36.948606
"949521"	369.181994	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-H+HCOOH"	44.998194
"364458"	693.365801	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+HCOOH-H"	44.998201
"351622"	707.381451	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+Hac-H"	59.013851
"1497177"	383.197651	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Hac-H"	59.013851
"963626"	391.163951	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-H+NaCOOH"	66.980151
"116904"	359.153202	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+2Cl"	69.938804
"557560"	521.245102	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+2Cl"	69.938804
"1022351"	197.061302	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2Cl"	69.938804
"1244844"	403.102685	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Br"	78.918885
"1309480"	405.158672	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Cl+HCOOH"	80.974872
"1323698"	427.140629	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Cl+NaCOOH"	102.956829
"913661"	437.169386	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M-H+CF3COOH"	112.985586
"1288911"	473.146064	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Cl+CF3COOH"	148.962264
"1367921"	289.171124	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H-2H2O"	-35.012676
"1383229"	307.1811	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H-H2O"	-17.0027
"283886"	649.374876	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+H"	1.007276
"677038"	973.558676	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+H"	1.007276
"1355579"	325.191076	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H"	1.007276
"129564"	325.191076	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+2H"	2.014552
"568030"	487.282976	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+2H"	2.014552
"1042298"	163.099176	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2H"	2.014552
"209104"	217.129809333333	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+3H"	3.021828
"648665"	325.191076	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+3H"	3.021828
"1165697"	109.068542666667	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+3H"	3.021828
"428968"	666.401423	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+NH4"	18.033823
"789236"	990.585223	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+NH4"	18.033823
"1686295"	342.217623	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+NH4"	18.033823
"332752"	333.7043495	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+H+NH4"	19.041099
"726265"	495.7962495	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+H+NH4"	19.041099
"1479723"	171.6124495	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H+NH4"	19.041099
"393541"	671.356818	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+Na"	22.989218
"756481"	995.540618	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+Na"	22.989218
"1607494"	347.173018	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Na"	22.989218
"317534"	336.182047	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+H+Na"	23.996494
"711412"	498.273947	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+H+Na"	23.996494
"1462315"	174.090147	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H+Na"	23.996494
"1059211"	116.395856666667	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2H+Na"	25.00377
"1266359"	357.217286	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+CH3OH+H"	33.033486
"381655"	687.330758	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+K"	38.963158
"744839"	1011.514558	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+K"	38.963158
"1543613"	363.146958	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+K"	38.963158
"302976"	344.169017	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+H+K"	39.970434
"695396"	506.260917	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+H+K"	39.970434
"1452498"	182.077117	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H+K"	39.970434
"242194"	690.401426	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+ACN+H"	42.033826
"1211621"	366.217626	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+ACN+H"	42.033826
"1198786"	183.612451	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+ACN+2H"	43.041102
"192751"	693.33876	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+2Na-H"	44.97116
"629756"	1017.52256	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+2Na-H"	44.97116
"1142745"	369.15496	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2Na-H"	44.97116
"186406"	347.173018	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+2Na"	45.978436
"628157"	509.264918	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+2Na"	45.978436
"1130935"	185.081118	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2Na"	45.978436
"1413241"	123.723170666667	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H+2Na"	46.985712
"1445399"	371.196546	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H+HCOOH"	47.012746
"233715"	352.20604	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+3H2O+2H"	56.04448
"1517771"	385.24859	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+IsoProp+H"	61.06479
"419644"	355.159988	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+Na+K"	61.952376
"782826"	517.251888	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+Na+K"	61.952376
"1675877"	193.068088	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Na+K"	61.952376
"260209"	712.383368	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+ACN+Na"	64.015768
"1238386"	388.199568	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+ACN+Na"	64.015768
"1722900"	388.223093	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+NH4+HCOOH"	64.039293
"1189347"	131.050484666667	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+3Na"	68.967654
"1660332"	393.178488	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Na+HCOOH"	68.994688
"169383"	725.28664	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+2K-H"	76.91904
"608942"	1049.47044	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+2K-H"	76.91904
"1089080"	401.10284	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2K-H"	76.91904
"146991"	363.146958	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"2M+2K"	77.926316
"589832"	525.238858	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"3M+2K"	77.926316
"1078722"	201.055058	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2K"	77.926316
"1107555"	403.117392	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2K+H"	78.933592
"1343940"	403.205007	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+DMSO+H"	79.021207
"1013565"	407.244176	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2ACN+H"	83.060376
"1527314"	408.237808	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+IsoProp+Na+H"	84.054008
"995949"	204.125726	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+2ACN+2H"	84.067652
"1600668"	409.152428	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+K+HCOOH"	84.968628
"1425963"	439.183938	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+H+CF3COOH"	115.000138
"1156250"	224.639001	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+3ACN+2H"	125.094202
"1706894"	456.210485	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+NH4+CF3COOH"	132.026685
"1638171"	461.16588	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+Na+CF3COOH"	136.98208
"1577106"	477.13982	"C09021"	"Affinine;17-Hydroxyvobasan-3-one"	"C20H24N2O2"	"324.1838"	"M+K+CF3COOH"	152.95602
"810753"	308.1889	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M"	0
"984288"	289.17051	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-H2O-H"	-19.01839
"70344"	204.451990666667	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M-3H"	-3.021828
"507717"	307.181624	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M-3H"	-3.021828
"888799"	101.722357333333	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-3H"	-3.021828
"4092"	307.181624	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M-2H"	-2.014552
"442562"	461.276074	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M-2H"	-2.014552
"821456"	153.087174	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-2H"	-2.014552
"84727"	615.370524	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M-H"	-1.007276
"522099"	923.559424	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M-H"	-1.007276
"895809"	307.181624	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-H"	-1.007276
"50998"	632.397071	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M-2H+NH4"	16.019271
"490557"	940.585971	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M-2H+NH4"	16.019271
"866174"	324.208171	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-2H+NH4"	16.019271
"43189"	637.352466	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M-2H+Na"	20.974666
"481290"	945.541366	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M-2H+Na"	20.974666
"850345"	329.163566	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-2H+Na"	20.974666
"1622065"	329.163566	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Na-2H"	20.974666
"96774"	325.169963	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M-H+Cl"	33.962126
"534268"	479.264413	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M-H+Cl"	33.962126
"940065"	171.075513	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-H+Cl"	33.962126
"275704"	651.347202	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+Cl"	34.969402
"664846"	959.536102	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+Cl"	34.969402
"1277249"	343.158302	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Cl"	34.969402
"21993"	653.326406	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M-2H+K"	36.948606
"461551"	961.515306	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M-2H+K"	36.948606
"836072"	345.137506	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-2H+K"	36.948606
"1561747"	345.137506	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+K-2H"	36.948606
"950724"	353.187094	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-H+HCOOH"	44.998194
"366756"	661.376001	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+HCOOH-H"	44.998201
"356106"	675.391651	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+Hac-H"	59.013851
"1497287"	367.202751	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Hac-H"	59.013851
"965923"	375.169051	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-H+NaCOOH"	66.980151
"114828"	343.158302	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+2Cl"	69.938804
"559858"	497.252752	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+2Cl"	69.938804
"1026471"	189.063852	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2Cl"	69.938804
"1246048"	387.107785	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Br"	78.918885
"1309591"	389.163772	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Cl+HCOOH"	80.974872
"1323808"	411.145729	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Cl+NaCOOH"	102.956829
"913042"	421.174486	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M-H+CF3COOH"	112.985586
"1291938"	457.151164	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Cl+CF3COOH"	148.962264
"1367912"	273.176224	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H-2H2O"	-35.012676
"1383704"	291.1862	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H-H2O"	-17.0027
"283268"	617.385076	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+H"	1.007276
"677514"	925.573976	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+H"	1.007276
"1355689"	309.196176	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H"	1.007276
"135141"	309.196176	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+2H"	2.014552
"574701"	463.290626	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+2H"	2.014552
"1047511"	155.101726	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2H"	2.014552
"215776"	206.466542666667	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+3H"	3.021828
"652056"	309.196176	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+3H"	3.021828
"1170180"	103.736909333333	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+3H"	3.021828
"432358"	634.411623	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+NH4"	18.033823
"793356"	942.600523	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+NH4"	18.033823
"1688592"	326.222723	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+NH4"	18.033823
"335778"	317.7094495	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+H+NH4"	19.041099
"728198"	471.8038995	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+H+NH4"	19.041099
"1482020"	163.6149995	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H+NH4"	19.041099
"395231"	639.367018	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+Na"	22.989218
"756591"	947.555918	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+Na"	22.989218
"1606512"	331.178118	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Na"	22.989218
"316915"	320.187147	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+H+Na"	23.996494
"710794"	474.281597	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+H+Na"	23.996494
"1461527"	166.092697	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H+Na"	23.996494
"1055675"	111.064223333333	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2H+Na"	25.00377
"1259178"	341.222386	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+CH3OH+H"	33.033486
"379942"	655.340958	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+K"	38.963158
"742762"	963.529858	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+K"	38.963158
"1540441"	347.152058	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+K"	38.963158
"298592"	328.174117	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+H+K"	39.970434
"691613"	482.268567	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+H+K"	39.970434
"1446404"	174.079667	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H+K"	39.970434
"236835"	658.411626	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+ACN+H"	42.033826
"1209908"	350.222726	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+ACN+H"	42.033826
"1194391"	175.615001	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+ACN+2H"	43.041102
"189335"	661.34896	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+2Na-H"	44.97116
"629133"	969.53786	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+2Na-H"	44.97116
"1131347"	353.16006	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2Na-H"	44.97116
"186147"	331.178118	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+2Na"	45.978436
"625711"	485.272568	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+2Na"	45.978436
"1127756"	177.083668	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2Na"	45.978436
"1412010"	118.391537333333	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H+2Na"	46.985712
"1444495"	355.201646	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H+HCOOH"	47.012746
"233095"	336.21114	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+3H2O+2H"	56.04448
"1511320"	369.25369	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+IsoProp+H"	61.06479
"416473"	339.165088	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+Na+K"	61.952376
"777469"	493.259538	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+Na+K"	61.952376
"1671613"	185.070638	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Na+K"	61.952376
"259225"	680.393568	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+ACN+Na"	64.015768
"1236309"	372.204668	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+ACN+Na"	64.015768
"1719728"	372.228193	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+NH4+HCOOH"	64.039293
"1179978"	125.718851333333	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+3Na"	68.967654
"1651694"	377.183588	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Na+HCOOH"	68.994688
"169493"	693.29684	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+2K-H"	76.91904
"609052"	1001.48574	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+2K-H"	76.91904
"1089190"	385.10794	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2K-H"	76.91904
"147099"	347.152058	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"2M+2K"	77.926316
"589942"	501.246508	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"3M+2K"	77.926316
"1078830"	193.057608	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2K"	77.926316
"1104385"	387.122492	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2K+H"	78.933592
"1340769"	387.210107	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+DMSO+H"	79.021207
"1007111"	391.249276	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2ACN+H"	83.060376
"1529610"	392.242908	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+IsoProp+Na+H"	84.054008
"990222"	196.128276	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+2ACN+2H"	84.067652
"1596036"	393.157528	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+K+HCOOH"	84.968628
"1419506"	423.189038	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+H+CF3COOH"	115.000138
"1155266"	216.641551	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+3ACN+2H"	125.094202
"1700443"	440.215585	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+NH4+CF3COOH"	132.026685
"1637186"	445.17098	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+Na+CF3COOH"	136.98208
"1577216"	461.14492	"C09022"	"Affinisine"	"C20H24N2O"	"308.1889"	"M+K+CF3COOH"	152.95602
"813050"	238.147	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M"	0
"982211"	219.12861	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-H2O-H"	-19.01839
"71547"	157.757390666667	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M-3H"	-3.021828
"507826"	237.139724	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M-3H"	-3.021828
"884534"	78.3750573333333	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-3H"	-3.021828
"3108"	237.139724	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M-2H"	-2.014552
"441699"	356.213224	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M-2H"	-2.014552
"820470"	118.066224	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-2H"	-2.014552
"87023"	475.286724	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M-H"	-1.007276
"525489"	713.433724	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M-H"	-1.007276
"896363"	237.139724	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-H"	-1.007276
"54388"	492.313271	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M-2H+NH4"	16.019271
"490667"	730.460271	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M-2H+NH4"	16.019271
"871751"	254.166271	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-2H+NH4"	16.019271
"40747"	497.268666	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M-2H+Na"	20.974666
"481400"	735.415666	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M-2H+Na"	20.974666
"850455"	259.121666	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-2H+Na"	20.974666
"1622175"	259.121666	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Na-2H"	20.974666
"98707"	255.128063	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M-H+Cl"	33.962126
"534281"	374.201563	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M-H+Cl"	33.962126
"941756"	136.054563	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-H+Cl"	33.962126
"276908"	511.263402	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+Cl"	34.969402
"668237"	749.410402	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+Cl"	34.969402
"1281734"	273.116402	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Cl"	34.969402
"22104"	513.242606	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M-2H+K"	36.948606
"461662"	751.389606	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M-2H+K"	36.948606
"833997"	275.095606	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-2H+K"	36.948606
"1559672"	275.095606	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+K-2H"	36.948606
"947555"	283.145194	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-H+HCOOH"	44.998194
"367959"	521.292201	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+HCOOH-H"	44.998201
"352936"	535.307851	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+Hac-H"	59.013851
"1494117"	297.160851	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Hac-H"	59.013851
"968950"	305.127151	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-H+NaCOOH"	66.980151
"118219"	273.116402	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+2Cl"	69.938804
"559968"	392.189902	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+2Cl"	69.938804
"1029861"	154.042902	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2Cl"	69.938804
"1246159"	317.065885	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Br"	78.918885
"1311888"	319.121872	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Cl+HCOOH"	80.974872
"1326105"	341.103829	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Cl+NaCOOH"	102.956829
"920442"	351.132586	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M-H+CF3COOH"	112.985586
"1290591"	387.109264	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Cl+CF3COOH"	148.962264
"1370938"	203.134324	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H-2H2O"	-35.012676
"1382924"	221.1443	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H-H2O"	-17.0027
"283747"	477.301276	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+H"	1.007276
"678356"	715.448276	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+H"	1.007276
"1354706"	239.154276	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H"	1.007276
"135251"	239.154276	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+2H"	2.014552
"574811"	358.227776	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+2H"	2.014552
"1044703"	120.080776	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2H"	2.014552
"213698"	159.771942666667	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+3H"	3.021828
"654351"	239.154276	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+3H"	3.021828
"1167010"	80.3896093333333	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+3H"	3.021828
"431375"	494.327823	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+NH4"	18.033823
"792372"	732.474823	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+NH4"	18.033823
"1689796"	256.180823	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+NH4"	18.033823
"338077"	247.6675495	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+H+NH4"	19.041099
"729401"	366.7410495	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+H+NH4"	19.041099
"1482129"	128.5940495	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H+NH4"	19.041099
"398620"	499.283218	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+Na"	22.989218
"758157"	737.430218	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+Na"	22.989218
"1606257"	261.136218	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Na"	22.989218
"321035"	250.145247	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+H+Na"	23.996494
"709445"	369.218747	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+H+Na"	23.996494
"1461597"	131.071747	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H+Na"	23.996494
"1056513"	87.7169233333333	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2H+Na"	25.00377
"1259288"	271.180486	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+CH3OH+H"	33.033486
"380780"	515.257158	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+K"	38.963158
"742872"	753.404158	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+K"	38.963158
"1540915"	277.110158	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+K"	38.963158
"298811"	258.132217	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+H+K"	39.970434
"691603"	377.205717	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+H+K"	39.970434
"1448704"	139.058717	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H+K"	39.970434
"235887"	518.327826	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+ACN+H"	42.033826
"1210739"	280.180826	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+ACN+H"	42.033826
"1194992"	140.594051	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+ACN+2H"	43.041102
"189323"	521.26516	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+2Na-H"	44.97116
"629123"	759.41216	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+2Na-H"	44.97116
"1132878"	283.11816	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2Na-H"	44.97116
"184799"	261.136218	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+2Na"	45.978436
"625820"	380.209718	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+2Na"	45.978436
"1128839"	142.062718	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2Na"	45.978436
"1412367"	95.0442373333333	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H+2Na"	46.985712
"1445214"	285.159746	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H+HCOOH"	47.012746
"234666"	266.16924	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+3H2O+2H"	56.04448
"1513615"	299.21179	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+IsoProp+H"	61.06479
"417676"	269.123188	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+Na+K"	61.952376
"776486"	388.196688	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+Na+K"	61.952376
"1672816"	150.049688	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Na+K"	61.952376
"257148"	540.309768	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+ACN+Na"	64.015768
"1236419"	302.162768	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+ACN+Na"	64.015768
"1719838"	302.186293	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+NH4+HCOOH"	64.039293
"1180452"	102.371551333333	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+3Na"	68.967654
"1653991"	307.141688	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Na+HCOOH"	68.994688
"169241"	553.21304	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+2K-H"	76.91904
"608798"	791.36004	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+2K-H"	76.91904
"1089300"	315.06604	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2K-H"	76.91904
"147209"	277.110158	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"2M+2K"	77.926316
"587865"	396.183658	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"3M+2K"	77.926316
"1078940"	158.036658	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2K"	77.926316
"1104495"	317.080592	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2K+H"	78.933592
"1340879"	317.168207	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+DMSO+H"	79.021207
"1006367"	321.207376	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2ACN+H"	83.060376
"1528626"	322.201008	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+IsoProp+Na+H"	84.054008
"991062"	161.107326	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+2ACN+2H"	84.067652
"1598332"	323.115628	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+K+HCOOH"	84.968628
"1421803"	353.147138	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+H+CF3COOH"	115.000138
"1155376"	181.620601	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+3ACN+2H"	125.094202
"1702739"	370.173685	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+NH4+CF3COOH"	132.026685
"1637296"	375.12908	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+Na+CF3COOH"	136.98208
"1577326"	391.10302	"C09023"	"Agroclavine"	"C16H18N2"	"238.147"	"M+K+CF3COOH"	152.95602
"812067"	352.1787	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M"	0
"979041"	333.16031	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"69470"	233.778524	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"506843"	351.171424	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"884644"	116.385624	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"3218"	351.171424	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"441684"	527.260774	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"817335"	175.082074	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"81665"	703.350124	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"520006"	1055.528824	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"895863"	351.171424	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"53405"	720.376671	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"490777"	1072.555371	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"868581"	368.197971	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"40857"	725.332066	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"479323"	1077.510766	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"851658"	373.153366	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1619369"	373.153366	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"99910"	369.159763	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"534765"	545.249113	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"941501"	193.070413	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"277018"	739.326802	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"670534"	1091.505502	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1281844"	387.148102	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"20027"	741.306006	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"460678"	1093.484706	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"835926"	389.127306	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1556863"	389.127306	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"944384"	397.176894	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"366976"	749.355601	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"350859"	763.371251	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1495320"	411.192551	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"966144"	419.158851	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"119422"	387.148102	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"558984"	563.237452	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1029971"	211.058752	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1248456"	431.097585	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1315278"	433.153572	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1328402"	455.135529	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"922739"	465.164286	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1290701"	501.140964	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1371048"	317.166024	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1384895"	335.176	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"283856"	705.364676	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"679559"	1057.543376	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1354816"	353.185976	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"133174"	353.185976	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"576014"	529.275326	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1045907"	177.096626	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"213807"	235.793076	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"652275"	353.185976	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1172588"	118.400176	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"433673"	722.391223	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"796856"	1074.569923	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1692093"	370.212523	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"339280"	361.6992495	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"729512"	537.7885995	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1486613"	185.6098995	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"398730"	727.346618	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"759728"	1079.525318	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1609283"	375.167918	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"321146"	364.176947	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"711381"	540.266297	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1462889"	188.087597	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1054074"	125.72749	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1260129"	385.212186	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"380890"	743.320558	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"741889"	1095.499258	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1541025"	391.141858	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"299657"	372.163917	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"693537"	548.253267	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1449544"	196.074567	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"237417"	746.391226	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1210123"	394.212526	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1195224"	197.609901	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"189184"	749.32856	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"629109"	1101.50726	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1133109"	397.14986	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"183816"	375.167918	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"623744"	551.257268	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1126885"	199.078568	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1412719"	133.054804	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1443257"	399.191446	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"232951"	380.20094	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1513725"	413.24349	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"418878"	383.154888	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"776596"	559.244238	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1674019"	207.065538	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"258351"	768.373168	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1235436"	416.194468	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1718854"	416.217993	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1180927"	140.382118	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1651912"	421.173388	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"163151"	781.27644	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"604898"	1133.45514	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1090503"	429.09774	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"144039"	391.141858	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"581733"	567.231208	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1071394"	215.052508	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1105698"	431.112292	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1337709"	431.199907	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1006113"	435.239076	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1530923"	436.232708	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"991173"	218.123176	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1597348"	437.147328	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1421913"	467.178838	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1155486"	238.636451	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1702849"	484.205385	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1637406"	489.16078	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1577436"	505.13472	"C09024"	"Ajmalicine;Raubasine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"814363"	322.1681	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M"	0
"981338"	303.14971	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-H2O-H"	-19.01839
"68487"	213.771457333333	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M-3H"	-3.021828
"504766"	321.160824	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M-3H"	-3.021828
"883661"	106.382090666667	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-3H"	-3.021828
"3328"	321.160824	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M-2H"	-2.014552
"443982"	482.244874	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M-2H"	-2.014552
"819597"	160.076774	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-2H"	-2.014552
"83962"	643.328924	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M-H"	-1.007276
"519753"	965.497024	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M-H"	-1.007276
"896215"	321.160824	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-H"	-1.007276
"52422"	660.355471	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M-2H+NH4"	16.019271
"490887"	982.523571	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M-2H+NH4"	16.019271
"868691"	338.187371	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-2H+NH4"	16.019271
"42060"	665.310866	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M-2H+Na"	20.974666
"479433"	987.478966	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M-2H+Na"	20.974666
"851768"	343.142766	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-2H+Na"	20.974666
"1621303"	343.142766	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Na-2H"	20.974666
"100020"	339.149163	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M-H+Cl"	33.962126
"534956"	500.233213	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M-H+Cl"	33.962126
"941367"	178.065113	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-H+Cl"	33.962126
"276034"	679.305602	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+Cl"	34.969402
"670644"	1001.473702	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+Cl"	34.969402
"1284143"	357.137502	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Cl"	34.969402
"20137"	681.284806	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M-2H+K"	36.948606
"459695"	1003.452906	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M-2H+K"	36.948606
"835306"	359.116706	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-2H+K"	36.948606
"1557337"	359.116706	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+K-2H"	36.948606
"944858"	367.166294	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-H+HCOOH"	44.998194
"365992"	689.334401	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+HCOOH-H"	44.998201
"353156"	703.350051	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+Hac-H"	59.013851
"1497617"	381.181951	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Hac-H"	59.013851
"968441"	389.148251	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-H+NaCOOH"	66.980151
"116252"	357.137502	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+2Cl"	69.938804
"558001"	518.221552	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+2Cl"	69.938804
"1031174"	196.053452	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2Cl"	69.938804
"1252576"	401.086985	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Br"	78.918885
"1315389"	403.142972	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Cl+HCOOH"	80.974872
"1330699"	425.124929	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Cl+NaCOOH"	102.956829
"922849"	435.153686	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M-H+CF3COOH"	112.985586
"1294091"	471.130364	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Cl+CF3COOH"	148.962264
"1371158"	287.155424	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H-2H2O"	-35.012676
"1383065"	305.1654	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H-H2O"	-17.0027
"283968"	645.343476	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+H"	1.007276
"678576"	967.511576	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+H"	1.007276
"1356019"	323.175376	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H"	1.007276
"131098"	323.175376	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+2H"	2.014552
"572845"	484.259426	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+2H"	2.014552
"1041644"	162.091326	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2H"	2.014552
"215011"	215.786009333333	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+3H"	3.021828
"653479"	323.175376	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+3H"	3.021828
"1173792"	108.396642666667	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+3H"	3.021828
"431597"	662.370023	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+NH4"	18.033823
"793687"	984.538123	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+NH4"	18.033823
"1693297"	340.201923	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+NH4"	18.033823
"337204"	331.6886495	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+H+NH4"	19.041099
"730715"	492.7726995	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+H+NH4"	19.041099
"1483444"	170.6045995	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H+NH4"	19.041099
"399933"	667.325418	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+Na"	22.989218
"759837"	989.493518	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+Na"	22.989218
"1611215"	345.157318	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Na"	22.989218
"321256"	334.166347	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+H+Na"	23.996494
"712584"	495.250397	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+H+Na"	23.996494
"1464214"	173.082297	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H+Na"	23.996494
"1054184"	115.723956666667	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2H+Na"	25.00377
"1261334"	355.201586	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+CH3OH+H"	33.033486
"381001"	683.299358	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+K"	38.963158
"741999"	1005.467458	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+K"	38.963158
"1540770"	361.131258	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+K"	38.963158
"299035"	342.153317	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+H+K"	39.970434
"693647"	503.237367	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+H+K"	39.970434
"1450747"	181.069267	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H+K"	39.970434
"238983"	686.370026	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+ACN+H"	42.033826
"1211694"	364.201926	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+ACN+H"	42.033826
"1197037"	182.604601	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+ACN+2H"	43.041102
"190638"	689.30736	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+2Na-H"	44.97116
"632020"	1011.47546	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+2Na-H"	44.97116
"1136256"	367.13926	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2Na-H"	44.97116
"182830"	345.157318	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+2Na"	45.978436
"626770"	506.241368	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+2Na"	45.978436
"1127723"	184.073268	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2Na"	45.978436
"1412950"	123.051270666667	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H+2Na"	46.985712
"1444832"	369.180846	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H+HCOOH"	47.012746
"232697"	350.19034	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+3H2O+2H"	56.04448
"1514930"	383.23289	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+IsoProp+H"	61.06479
"415708"	353.144288	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+Na+K"	61.952376
"778893"	514.228338	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+Na+K"	61.952376
"1673036"	192.060238	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Na+K"	61.952376
"261742"	708.351968	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+ACN+Na"	64.015768
"1235546"	386.183868	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+ACN+Na"	64.015768
"1718964"	386.207393	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+NH4+HCOOH"	64.039293
"1178972"	130.378584666667	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+3Na"	68.967654
"1650929"	391.162788	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Na+HCOOH"	68.994688
"163261"	721.25524	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+2K-H"	76.91904
"601727"	1043.42334	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+2K-H"	76.91904
"1089519"	399.08714	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2K-H"	76.91904
"146336"	361.131258	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"2M+2K"	77.926316
"583459"	522.215308	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"3M+2K"	77.926316
"1069675"	200.047208	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2K"	77.926316
"1102528"	401.101692	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2K+H"	78.933592
"1337819"	401.189307	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+DMSO+H"	79.021207
"1006219"	405.228476	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2ACN+H"	83.060376
"1526659"	406.222108	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+IsoProp+Na+H"	84.054008
"990431"	203.117876	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+2ACN+2H"	84.067652
"1597459"	407.136728	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+K+HCOOH"	84.968628
"1423118"	437.168238	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+H+CF3COOH"	115.000138
"1160336"	223.631151	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+3ACN+2H"	125.094202
"1706241"	454.194785	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+NH4+CF3COOH"	132.026685
"1637517"	459.15018	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+Na+CF3COOH"	136.98208
"1577546"	475.12412	"C09025"	"Akuammicine"	"C20H22N2O2"	"322.1681"	"M+K+CF3COOH"	152.95602
"812287"	352.1787	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M"	0
"981448"	333.16031	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"66410"	233.778524	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"504876"	351.171424	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"883771"	116.385624	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"3438"	351.171424	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"442999"	527.260774	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"818977"	175.082074	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"80792"	703.350124	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"519256"	1055.528824	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"896449"	351.171424	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"51439"	720.376671	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"489904"	1072.555371	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"872081"	368.197971	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"42170"	725.332066	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"483553"	1077.510766	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"858439"	373.153366	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1621413"	373.153366	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"99037"	369.159763	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"535436"	545.249113	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"934308"	193.070413	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"273957"	739.326802	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"670754"	1091.505502	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1286440"	387.148102	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"22434"	741.306006	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"461991"	1093.484706	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"835415"	389.127306	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1557450"	389.127306	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"945697"	397.176894	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"366102"	749.355601	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"353266"	763.371251	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1498820"	411.192551	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"964177"	419.158851	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"116363"	387.148102	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"559205"	563.237452	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1033473"	211.058752	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1254144"	431.097585	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1319509"	433.153572	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1333362"	455.135529	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"926240"	465.164286	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1296388"	501.140964	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1374549"	317.166024	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1386579"	335.176	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"286266"	705.364676	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"686340"	1057.543376	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1357223"	353.185976	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"128292"	353.185976	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"572955"	529.275326	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1042118"	177.096626	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"217674"	235.793076	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"653590"	353.185976	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1172809"	118.400176	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"430613"	722.391223	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"792703"	1074.569923	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1691220"	370.212523	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"338404"	361.6992495	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"731918"	537.7885995	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1487924"	185.6098995	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"402233"	727.346618	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"764321"	1079.525318	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1612421"	375.167918	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"324645"	364.176947	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"713785"	540.266297	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1464322"	188.087597	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1054658"	125.72749	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1259258"	385.212186	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"378316"	743.320558	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"743203"	1095.499258	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1540880"	391.141858	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"298660"	372.163917	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"691852"	548.253267	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1450857"	196.074567	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"240551"	746.391226	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1213627"	394.212526	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1198242"	197.609901	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"194394"	749.32856	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"632860"	1101.50726	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1133569"	397.14986	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"178564"	375.167918	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"626516"	551.257268	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1127833"	199.078568	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1409533"	133.054804	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1445259"	399.191446	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"230986"	380.20094	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1518318"	413.24349	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"413631"	383.154888	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"779003"	559.244238	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1669866"	207.065538	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"261852"	768.373168	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1235656"	416.194468	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1717981"	416.217993	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1182241"	140.382118	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1653227"	421.173388	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"163370"	781.27644	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"602930"	1133.45514	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1089629"	429.09774	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"146446"	391.141858	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"583087"	567.231208	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1071612"	215.052508	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1102638"	431.112292	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1336707"	431.199907	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1006820"	435.239076	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1526769"	436.232708	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"992123"	218.123176	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1597569"	437.147328	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1421041"	467.178838	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1155706"	238.636451	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1706351"	484.205385	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1636535"	489.16078	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1577656"	505.13472	"C09026"	"Akuammidine;Rhazin"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"815677"	382.1893	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M"	0
"989768"	363.17091	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-H2O-H"	-19.01839
"70894"	253.785590666667	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M-3H"	-3.021828
"510453"	381.182024	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M-3H"	-3.021828
"882787"	126.389157333333	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-3H"	-3.021828
"9017"	381.182024	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M-2H"	-2.014552
"447483"	572.276674	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M-2H"	-2.014552
"825284"	190.087374	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-2H"	-2.014552
"84181"	763.371324	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M-H"	-1.007276
"519363"	1145.560624	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M-H"	-1.007276
"899352"	381.182024	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-H"	-1.007276
"48381"	780.397871	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M-2H+NH4"	16.019271
"488185"	1162.587171	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M-2H+NH4"	16.019271
"871098"	398.208571	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-2H+NH4"	16.019271
"33531"	785.353266	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M-2H+Na"	20.974666
"479653"	1167.542566	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M-2H+Na"	20.974666
"855269"	403.163966	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-2H+Na"	20.974666
"1629177"	403.163966	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Na-2H"	20.974666
"99147"	399.170363	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M-H+Cl"	33.962126
"536883"	590.265013	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M-H+Cl"	33.962126
"931130"	208.075713	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-H+Cl"	33.962126
"272974"	799.348002	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+Cl"	34.969402
"664667"	1181.537302	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+Cl"	34.969402
"1286548"	417.158702	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Cl"	34.969402
"24731"	801.327206	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M-2H+K"	36.948606
"463195"	1183.516506	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M-2H+K"	36.948606
"837716"	419.137906	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-2H+K"	36.948606
"1557925"	419.137906	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+K-2H"	36.948606
"946900"	427.187494	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-H+HCOOH"	44.998194
"365118"	809.376801	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+HCOOH-H"	44.998201
"352281"	823.392451	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+Hac-H"	59.013851
"1501116"	441.203151	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Hac-H"	59.013851
"967566"	449.169451	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-H+NaCOOH"	66.980151
"115379"	417.158702	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+2Cl"	69.938804
"558221"	608.253352	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+2Cl"	69.938804
"1032490"	226.064052	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2Cl"	69.938804
"1253161"	461.108185	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Br"	78.918885
"1319135"	463.164172	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Cl+HCOOH"	80.974872
"1334444"	485.146129	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Cl+NaCOOH"	102.956829
"924163"	495.174886	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M-H+CF3COOH"	112.985586
"1299778"	531.151564	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Cl+CF3COOH"	148.962264
"1380126"	347.176624	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H-2H2O"	-35.012676
"1386690"	365.1866	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H-H2O"	-17.0027
"289656"	765.385876	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+H"	1.007276
"684264"	1147.575176	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+H"	1.007276
"1358426"	383.196576	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H"	1.007276
"131318"	383.196576	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+2H"	2.014552
"577440"	574.291226	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+2H"	2.014552
"1048425"	192.101926	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2H"	2.014552
"216326"	255.800142666667	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+3H"	3.021828
"657711"	383.196576	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+3H"	3.021828
"1175107"	128.403709333333	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+3H"	3.021828
"434005"	782.412423	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+NH4"	18.033823
"797189"	1164.601723	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+NH4"	18.033823
"1694248"	400.223123	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+NH4"	18.033823
"341795"	391.7098495	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+H+NH4"	19.041099
"734216"	582.8044995	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+H+NH4"	19.041099
"1490223"	200.6151995	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H+NH4"	19.041099
"406717"	787.367818	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+Na"	22.989218
"769172"	1169.557118	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+Na"	22.989218
"1615810"	405.178518	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Na"	22.989218
"328764"	394.187547	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+H+Na"	23.996494
"718269"	585.282197	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+H+Na"	23.996494
"1474274"	203.092897	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H+Na"	23.996494
"1063147"	135.731023333333	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2H+Na"	25.00377
"1260462"	415.222786	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+CH3OH+H"	33.033486
"381222"	803.341758	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+K"	38.963158
"746593"	1185.531058	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+K"	38.963158
"1542084"	421.152458	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+K"	38.963158
"299622"	402.174517	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+H+K"	39.970434
"698240"	593.269167	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+H+K"	39.970434
"1453154"	211.079867	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H+K"	39.970434
"241757"	806.412426	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+ACN+H"	42.033826
"1216655"	424.223126	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+ACN+H"	42.033826
"1201632"	212.615201	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+ACN+2H"	43.041102
"198877"	809.34976	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+2Na-H"	44.97116
"637343"	1191.53906	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+2Na-H"	44.97116
"1137567"	427.16046	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2Na-H"	44.97116
"181954"	405.178518	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+2Na"	45.978436
"626262"	596.273168	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+2Na"	45.978436
"1129766"	214.083868	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2Na"	45.978436
"1413291"	143.058337333333	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H+2Na"	46.985712
"1443950"	429.202046	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H+HCOOH"	47.012746
"234741"	410.21154	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+3H2O+2H"	56.04448
"1521345"	443.25409	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+H"	61.06479
"414837"	413.165488	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+Na+K"	61.952376
"778019"	604.260138	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+Na+K"	61.952376
"1675443"	222.070838	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Na+K"	61.952376
"263056"	828.394368	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+ACN+Na"	64.015768
"1237953"	446.205068	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+ACN+Na"	64.015768
"1718091"	446.228593	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+NH4+HCOOH"	64.039293
"1183444"	150.385651333333	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+3Na"	68.967654
"1656615"	451.183988	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Na+HCOOH"	68.994688
"162386"	841.29764	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+2K-H"	76.91904
"604134"	1223.48694	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+2K-H"	76.91904
"1088644"	459.10834	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2K-H"	76.91904
"145461"	421.152458	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"2M+2K"	77.926316
"589396"	612.247108	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"3M+2K"	77.926316
"1078283"	230.057808	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2K"	77.926316
"1103841"	461.122892	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2K+H"	78.933592
"1336939"	461.210507	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+DMSO+H"	79.021207
"1008384"	465.249676	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2ACN+H"	83.060376
"1531253"	466.243308	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+Na+H"	84.054008
"993326"	233.128476	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+2ACN+2H"	84.067652
"1594402"	467.157928	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+K+HCOOH"	84.968628
"1424433"	497.189438	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+H+CF3COOH"	115.000138
"1156909"	253.641751	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+3ACN+2H"	125.094202
"1709743"	514.215985	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+NH4+CF3COOH"	132.026685
"1637739"	519.17138	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+Na+CF3COOH"	136.98208
"1577766"	535.14532	"C09027"	"Akuammine"	"C22H26N2O4"	"382.1893"	"M+K+CF3COOH"	152.95602
"811414"	348.1474	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M"	0
"981668"	329.12901	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-H2O-H"	-19.01839
"71004"	231.090990666667	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M-3H"	-3.021828
"509470"	347.140124	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M-3H"	-3.021828
"881804"	115.041857333333	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-3H"	-3.021828
"4753"	347.140124	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M-2H"	-2.014552
"444313"	521.213824	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M-2H"	-2.014552
"821021"	173.066424	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-2H"	-2.014552
"81011"	695.287524	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M-H"	-1.007276
"518580"	1043.434924	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M-H"	-1.007276
"895662"	347.140124	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-H"	-1.007276
"48615"	712.314071	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M-2H+NH4"	16.019271
"487159"	1060.461471	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M-2H+NH4"	16.019271
"865739"	364.166671	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-2H+NH4"	16.019271
"32667"	717.269466	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M-2H+Na"	20.974666
"475389"	1065.416866	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M-2H+Na"	20.974666
"853190"	369.122066	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-2H+Na"	20.974666
"1621631"	369.122066	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Na-2H"	20.974666
"96341"	365.128463	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M-H+Cl"	33.962126
"534764"	539.202163	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M-H+Cl"	33.962126
"931240"	191.054763	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-H+Cl"	33.962126
"270897"	731.264202	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+Cl"	34.969402
"662225"	1079.411602	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+Cl"	34.969402
"1283378"	383.116802	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Cl"	34.969402
"25934"	733.243406	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M-2H+K"	36.948606
"462210"	1081.390806	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M-2H+K"	36.948606
"835638"	385.096006	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-2H+K"	36.948606
"1556942"	385.096006	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+K-2H"	36.948606
"947010"	393.145594	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-H+HCOOH"	44.998194
"363042"	741.293001	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+HCOOH-H"	44.998201
"350205"	755.308651	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+Hac-H"	59.013851
"1499040"	407.161251	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Hac-H"	59.013851
"967676"	415.127551	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-H+NaCOOH"	66.980151
"116583"	383.116802	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+2Cl"	69.938804
"558331"	557.190502	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+2Cl"	69.938804
"1032600"	209.043102	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2Cl"	69.938804
"1253271"	427.066285	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Br"	78.918885
"1318999"	429.122272	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Cl+HCOOH"	80.974872
"1334798"	451.104229	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Cl+NaCOOH"	102.956829
"926466"	461.132986	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M-H+CF3COOH"	112.985586
"1302076"	497.109664	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Cl+CF3COOH"	148.962264
"1374770"	313.134724	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H-2H2O"	-35.012676
"1385707"	331.1447	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H-H2O"	-17.0027
"290860"	697.302076	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+H"	1.007276
"684374"	1045.449476	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+H"	1.007276
"1366194"	349.154676	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H"	1.007276
"132522"	349.154676	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+2H"	2.014552
"574270"	523.228376	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+2H"	2.014552
"1044162"	175.080976	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2H"	2.014552
"213156"	233.105542666667	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+3H"	3.021828
"655997"	349.154676	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+3H"	3.021828
"1175948"	117.056409333333	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+3H"	3.021828
"435574"	714.328623	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+NH4"	18.033823
"795112"	1062.476023	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+NH4"	18.033823
"1690349"	366.181223	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+NH4"	18.033823
"339721"	357.6679495	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+H+NH4"	19.041099
"733235"	531.7416495	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+H+NH4"	19.041099
"1487052"	183.5942495	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H+NH4"	19.041099
"405370"	719.284018	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+Na"	22.989218
"765635"	1067.431418	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+Na"	22.989218
"1612641"	371.136618	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Na"	22.989218
"327052"	360.145647	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+H+Na"	23.996494
"717285"	534.219347	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+H+Na"	23.996494
"1470013"	186.071947	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H+Na"	23.996494
"1059978"	124.383723333333	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2H+Na"	25.00377
"1257893"	381.180886	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+CH3OH+H"	33.033486
"380237"	735.257958	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+K"	38.963158
"739167"	1083.405358	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+K"	38.963158
"1541099"	387.110558	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+K"	38.963158
"298920"	368.132617	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+H+K"	39.970434
"696165"	542.206317	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+H+K"	39.970434
"1451080"	194.058917	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H+K"	39.970434
"241870"	738.328626	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+ACN+H"	42.033826
"1215672"	390.181226	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+ACN+H"	42.033826
"1201742"	195.594251	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+ACN+2H"	43.041102
"198986"	741.26596	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+2Na-H"	44.97116
"635269"	1089.41336	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+2Na-H"	44.97116
"1139866"	393.11856	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2Na-H"	44.97116
"179878"	371.136618	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+2Na"	45.978436
"627466"	545.210318	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+2Na"	45.978436
"1130730"	197.062918	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2Na"	45.978436
"1413889"	131.711037333333	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H+2Na"	46.985712
"1445158"	395.160146	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H+HCOOH"	47.012746
"234852"	376.16964	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+3H2O+2H"	56.04448
"1520362"	409.21219	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+IsoProp+H"	61.06479
"414947"	379.123588	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+Na+K"	61.952376
"777036"	553.197288	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+Na+K"	61.952376
"1675553"	205.049888	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Na+K"	61.952376
"263166"	760.310568	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+ACN+Na"	64.015768
"1238429"	412.163168	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+ACN+Na"	64.015768
"1718201"	412.186693	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+NH4+HCOOH"	64.039293
"1180274"	139.038351333333	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+3Na"	68.967654
"1654540"	417.142088	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Na+HCOOH"	68.994688
"164683"	773.21384	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+2K-H"	76.91904
"606431"	1121.36124	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+2K-H"	76.91904
"1094222"	425.06644	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2K-H"	76.91904
"146666"	387.110558	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"2M+2K"	77.926316
"588414"	561.184258	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"3M+2K"	77.926316
"1074020"	213.036858	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2K"	77.926316
"1103951"	427.080992	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2K+H"	78.933592
"1335956"	427.168607	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+DMSO+H"	79.021207
"1006106"	431.207776	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2ACN+H"	83.060376
"1531363"	432.201408	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+IsoProp+Na+H"	84.054008
"994530"	216.107526	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+2ACN+2H"	84.067652
"1596696"	433.116028	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+K+HCOOH"	84.968628
"1425635"	463.147538	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+H+CF3COOH"	115.000138
"1152642"	236.620801	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+3ACN+2H"	125.094202
"1704383"	480.174085	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+NH4+CF3COOH"	132.026685
"1637849"	485.12948	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+Na+CF3COOH"	136.98208
"1577876"	501.10342	"C09028"	"Alstonine"	"C21H20N2O3"	"348.1474"	"M+K+CF3COOH"	152.95602
"811523"	274.0841	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M"	0
"981778"	255.06571	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"71114"	181.715457333333	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"510674"	273.076824	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"884101"	90.3540906666667	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"4863"	273.076824	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"444423"	410.118874	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"820038"	136.034774	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"82214"	547.160924	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"520799"	821.245024	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"897751"	273.076824	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"49576"	564.187471	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"487672"	838.271571	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"864631"	290.103371	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"32047"	569.142866	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"475499"	843.226966	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"856580"	295.058766	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1626115"	295.058766	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"99002"	291.065163	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"538561"	428.107213	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"930619"	154.023113	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"271007"	583.137602	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"667802"	857.221702	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1275466"	309.053502	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"21670"	585.116806	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"460135"	859.200906	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"835380"	311.032706	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1556322"	311.032706	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"944204"	319.082294	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"362421"	593.166401	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"350316"	607.182051	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1495870"	333.097951	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"962318"	341.064251	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"116693"	309.053502	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"558441"	446.095552	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1032710"	172.011452	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1252287"	353.002985	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1318988"	355.058972	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1334543"	377.040929	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"926456"	387.069686	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1302186"	423.046364	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1378160"	239.071424	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1389096"	257.0814	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"293156"	549.175476	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"685578"	823.259576	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1364115"	275.091376	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"133726"	275.091376	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"574380"	412.133426	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1047553"	138.049326	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"214360"	183.730009333333	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"656108"	275.091376	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1176423"	92.3686426666667	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"437142"	566.202023	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"797409"	840.286123	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1692646"	292.117923	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"342746"	283.6046495	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"734438"	420.6466995	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1483883"	146.5625995	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"404751"	571.157418	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"764652"	845.241518	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1616033"	297.073318	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"327163"	286.082347	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"717396"	423.124397	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1471215"	149.040297	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1061181"	99.6959566666666	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1267238"	307.117586	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"377673"	587.131358	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"739032"	861.215458	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1543395"	313.047258	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"300572"	294.069317	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"696275"	431.111367	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1452283"	157.027267	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"239792"	590.202026	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1219060"	316.117926	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1201852"	158.562601	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"201286"	593.13936	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"636469"	867.22346	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1136694"	319.05526	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"179986"	297.073318	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"621741"	434.115368	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1130351"	160.031268	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1413392"	107.023270666667	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1443447"	321.096846	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"234840"	302.10634	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1520472"	335.14889	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"415057"	305.060288	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"781156"	442.102338	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1677487"	168.018238	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"262183"	612.183968	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1235623"	338.099868	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1718311"	338.123393	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1183662"	114.350584666667	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1659023"	343.078788	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"165886"	625.08724	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"604354"	899.17134	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1095064"	351.00314	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"148962"	313.047258	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"588523"	450.089308	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1074130"	176.005208	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1101264"	353.017692	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1336917"	353.105307	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1007147"	357.144476	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1526124"	358.138108	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"996825"	179.075876	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1597899"	359.052728	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1422464"	389.084238	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1150566"	199.589151	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1700119"	406.110785	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1637959"	411.06618	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1577986"	427.04012	"C09029"	"Ptaerochromenol"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"805072"	290.079	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M"	0
"985168"	271.06061	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"71223"	192.378724	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"514064"	289.071724	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"886398"	95.685724	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"8253"	289.071724	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"446720"	434.111224	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"825615"	144.032224	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"82324"	579.150724	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"521885"	869.229724	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"897011"	289.071724	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"48105"	596.177271	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"488883"	886.256271	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"864387"	306.098271	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"33009"	601.132666	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"478890"	891.211666	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"858879"	311.053666	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1627318"	311.053666	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"103852"	307.060063	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"540131"	452.099563	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"934740"	162.020563	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"273304"	615.127402	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"667913"	905.206402	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1278129"	325.048402	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"23968"	617.106606	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"460245"	907.185606	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"833712"	327.027606	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1557162"	327.027606	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"943951"	335.077194	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"362532"	625.156201	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"352613"	639.171851	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1498167"	349.092851	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"968989"	357.059151	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"113523"	325.048402	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"558551"	470.087902	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1032820"	180.008902	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1254584"	368.997885	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1318615"	371.053872	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1334170"	393.035829	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"925233"	403.064586	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1303150"	439.041264	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1380458"	255.066324	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1395767"	273.0763	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"296549"	581.165276	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"690062"	871.244276	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1365317"	291.086276	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H"	1.007276
"138207"	291.086276	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"571210"	436.125776	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1044383"	146.046776	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"215564"	194.393276	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"656218"	291.086276	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1173251"	97.700276	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"438349"	598.191823	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"795333"	888.270823	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1693122"	308.112823	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"342128"	299.5995495	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"734184"	444.6390495	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1485450"	154.5600495	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"405227"	603.147218	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"768043"	893.226218	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1617236"	313.068218	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"326179"	302.077247	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"717507"	447.116747	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1471329"	157.037747	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1062386"	105.02759	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1261881"	323.112486	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"377904"	619.121158	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"739994"	909.200158	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1544599"	329.042158	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+K"	38.963158
"299589"	310.064217	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"698572"	455.103717	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1455673"	165.024717	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"247557"	622.191826	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1219171"	332.112826	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1204149"	166.560051	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"199572"	625.12916	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"636583"	915.20816	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1142273"	335.05016	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"182282"	313.068218	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"621851"	458.107718	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1130826"	168.028718	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1413746"	112.354904	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1445383"	337.091746	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"234708"	318.10124	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1523138"	351.14379	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"414073"	321.055188	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"776163"	466.094688	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1675410"	176.015688	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"260836"	644.173768	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1235731"	354.094768	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1718421"	354.118293	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1183774"	119.682218	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1656947"	359.073688	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"167089"	657.07704	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"603369"	947.15604	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1088611"	366.99804	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"150168"	329.042158	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"587541"	474.081658	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1075332"	184.002658	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1101984"	369.012592	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1338367"	369.100207	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1007990"	373.139376	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1529395"	374.133008	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"994751"	187.073326	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1595821"	375.047628	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1420387"	405.079138	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1157238"	207.586601	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1702415"	422.105685	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1636243"	427.06108	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1578096"	443.03502	"C09030"	"Ptaeroglycol"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"812837"	326.1518	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M"	0
"981999"	307.13341	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-H2O-H"	-19.01839
"74615"	216.427257333333	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M-3H"	-3.021828
"511989"	325.144524	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M-3H"	-3.021828
"889790"	107.709990666667	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-3H"	-3.021828
"13470"	325.144524	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M-2H"	-2.014552
"453029"	488.220424	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M-2H"	-2.014552
"831561"	162.068624	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-2H"	-2.014552
"87905"	651.296324	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M-H"	-1.007276
"531476"	977.448124	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M-H"	-1.007276
"908547"	325.144524	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-H"	-1.007276
"60736"	668.322871	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M-2H+NH4"	16.019271
"493734"	994.474671	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M-2H+NH4"	16.019271
"867164"	342.171071	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-2H+NH4"	16.019271
"35065"	673.278266	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M-2H+Na"	20.974666
"485561"	999.430066	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M-2H+Na"	20.974666
"863975"	347.126466	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-2H+Na"	20.974666
"1632655"	347.126466	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Na-2H"	20.974666
"106147"	343.132863	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M-H+Cl"	33.962126
"546800"	506.208763	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M-H+Cl"	33.962126
"934848"	180.056963	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-H+Cl"	33.962126
"277788"	687.273002	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+Cl"	34.969402
"670210"	1013.424802	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+Cl"	34.969402
"1278239"	361.121202	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Cl"	34.969402
"26266"	689.252206	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M-2H+K"	36.948606
"458170"	1015.404006	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M-2H+K"	36.948606
"838158"	363.100406	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-2H+K"	36.948606
"1561646"	363.100406	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+K-2H"	36.948606
"946250"	371.149994	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-H+HCOOH"	44.998194
"366652"	697.301801	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+HCOOH-H"	44.998201
"353817"	711.317451	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+Hac-H"	59.013851
"1501557"	385.165651	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Hac-H"	59.013851
"969101"	393.131951	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-H+NaCOOH"	66.980151
"113633"	361.121202	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+2Cl"	69.938804
"562671"	524.197102	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+2Cl"	69.938804
"1032930"	198.045302	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2Cl"	69.938804
"1255669"	405.070685	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Br"	78.918885
"1319540"	407.126672	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Cl+HCOOH"	80.974872
"1334769"	429.108629	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Cl+NaCOOH"	102.956829
"926638"	439.137386	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M-H+CF3COOH"	112.985586
"1303140"	475.114064	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Cl+CF3COOH"	148.962264
"1380575"	291.139124	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H-2H2O"	-35.012676
"1395879"	309.1491	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H-H2O"	-17.0027
"293379"	653.310876	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+H"	1.007276
"689811"	979.462676	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+H"	1.007276
"1366158"	327.159076	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H"	1.007276
"139779"	327.159076	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+2H"	2.014552
"578611"	490.234976	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+2H"	2.014552
"1050330"	164.083176	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2H"	2.014552
"218228"	218.441809333333	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+3H"	3.021828
"656694"	327.159076	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+3H"	3.021828
"1174093"	109.724542666667	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+3H"	3.021828
"435909"	670.337423	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+NH4"	18.033823
"797633"	996.489223	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+NH4"	18.033823
"1695057"	344.185623	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+NH4"	18.033823
"343700"	335.6723495	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+H+NH4"	19.041099
"736119"	498.7482495	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+H+NH4"	19.041099
"1490300"	172.5964495	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H+NH4"	19.041099
"403516"	675.292818	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+Na"	22.989218
"768886"	1001.444618	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+Na"	22.989218
"1614068"	349.141018	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Na"	22.989218
"329206"	338.150047	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+H+Na"	23.996494
"718711"	501.225947	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+H+Na"	23.996494
"1469250"	175.074147	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H+Na"	23.996494
"1060311"	117.051856666667	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2H+Na"	25.00377
"1263083"	359.185286	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+CH3OH+H"	33.033486
"383845"	691.266758	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+K"	38.963158
"744843"	1017.418558	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+K"	38.963158
"1547989"	365.114958	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+K"	38.963158
"309540"	346.137017	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+H+K"	39.970434
"701963"	509.212917	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+H+K"	39.970434
"1453597"	183.061117	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H+K"	39.970434
"248396"	694.337426	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+ACN+H"	42.033826
"1224021"	368.185626	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+ACN+H"	42.033826
"1207175"	184.596451	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+ACN+2H"	43.041102
"201506"	697.27476	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+2Na-H"	44.97116
"641069"	1023.42656	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+2Na-H"	44.97116
"1142383"	371.12296	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2Na-H"	44.97116
"184579"	349.141018	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+2Na"	45.978436
"618313"	512.216918	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+2Na"	45.978436
"1130694"	186.065118	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2Na"	45.978436
"1413001"	124.379170666667	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H+2Na"	46.985712
"1445452"	373.164546	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H+HCOOH"	47.012746
"235554"	354.17404	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+3H2O+2H"	56.04448
"1523248"	387.21659	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+IsoProp+H"	61.06479
"416370"	357.127988	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+Na+K"	61.952376
"781741"	520.203888	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+Na+K"	61.952376
"1676980"	194.052088	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Na+K"	61.952376
"262404"	716.319368	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+ACN+Na"	64.015768
"1238393"	390.167568	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+ACN+Na"	64.015768
"1720718"	390.191093	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+NH4+HCOOH"	64.039293
"1184979"	131.706484666667	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+3Na"	68.967654
"1654873"	395.146488	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Na+HCOOH"	68.994688
"166109"	729.22264	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+2K-H"	76.91904
"600930"	1055.37444	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+2K-H"	76.91904
"1088359"	403.07084	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2K-H"	76.91904
"143351"	365.114958	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"2M+2K"	77.926316
"584374"	528.190858	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"3M+2K"	77.926316
"1077633"	202.039058	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2K"	77.926316
"1110839"	405.085392	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2K+H"	78.933592
"1342853"	405.173007	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+DMSO+H"	79.021207
"1016486"	409.212176	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2ACN+H"	83.060376
"1534973"	410.205808	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+IsoProp+Na+H"	84.054008
"999235"	205.109726	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+2ACN+2H"	84.067652
"1599206"	411.120428	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+K+HCOOH"	84.968628
"1417209"	441.151938	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+H+CF3COOH"	115.000138
"1150053"	225.623001	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+3ACN+2H"	125.094202
"1704714"	458.178485	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+NH4+CF3COOH"	132.026685
"1637084"	463.13388	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+Na+CF3COOH"	136.98208
"1578206"	479.10782	"C09031"	"Pulverochromenol"	"C20H22O4"	"326.1518"	"M+K+CF3COOH"	152.95602
"805292"	313.1215	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M"	0
"985389"	294.10311	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-H2O-H"	-19.01839
"73632"	207.740390666667	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M-3H"	-3.021828
"508819"	312.114224	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M-3H"	-3.021828
"894761"	103.366557333333	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-3H"	-3.021828
"14916"	312.114224	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M-2H"	-2.014552
"454598"	468.674974	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M-2H"	-2.014552
"831915"	155.553474	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-2H"	-2.014552
"88015"	625.235724	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M-H"	-1.007276
"531586"	938.357224	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M-H"	-1.007276
"908293"	312.114224	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-H"	-1.007276
"60846"	642.262271	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M-2H+NH4"	16.019271
"494938"	955.383771	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M-2H+NH4"	16.019271
"870554"	329.140771	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-2H+NH4"	16.019271
"36268"	647.217666	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M-2H+Na"	20.974666
"484214"	960.339166	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M-2H+Na"	20.974666
"864151"	334.096166	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-2H+Na"	20.974666
"1634139"	334.096166	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Na-2H"	20.974666
"105163"	330.102563	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M-H+Cl"	33.962126
"545817"	486.663313	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M-H+Cl"	33.962126
"934959"	173.541813	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-H+Cl"	33.962126
"274618"	661.212402	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+Cl"	34.969402
"668133"	974.333902	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+Cl"	34.969402
"1280536"	348.090902	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Cl"	34.969402
"24187"	663.191606	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M-2H+K"	36.948606
"463748"	976.313106	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M-2H+K"	36.948606
"838268"	350.070106	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-2H+K"	36.948606
"1565036"	350.070106	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+K-2H"	36.948606
"944173"	358.119694	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-H+HCOOH"	44.998194
"367856"	671.241201	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+HCOOH-H"	44.998201
"353927"	685.256851	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+Hac-H"	59.013851
"1498387"	372.135351	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Hac-H"	59.013851
"967023"	380.101651	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-H+NaCOOH"	66.980151
"113742"	348.090902	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+2Cl"	69.938804
"560958"	504.651652	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+2Cl"	69.938804
"1033040"	191.530152	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2Cl"	69.938804
"1256509"	392.040385	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Br"	78.918885
"1319445"	394.096372	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Cl+HCOOH"	80.974872
"1331476"	416.078329	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Cl+NaCOOH"	102.956829
"926178"	426.107086	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M-H+CF3COOH"	112.985586
"1303008"	462.083764	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Cl+CF3COOH"	148.962264
"1379589"	278.108824	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H-2H2O"	-35.012676
"1397083"	296.1188	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H-H2O"	-17.0027
"293489"	627.250276	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+H"	1.007276
"690530"	940.371776	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+H"	1.007276
"1366267"	314.128776	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H"	1.007276
"139526"	314.128776	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+2H"	2.014552
"579088"	470.689526	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+2H"	2.014552
"1046796"	157.568026	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2H"	2.014552
"214692"	209.754942666667	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+3H"	3.021828
"656439"	314.128776	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+3H"	3.021828
"1172381"	105.381109333333	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+3H"	3.021828
"436384"	644.276823	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+NH4"	18.033823
"798107"	957.398323	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+NH4"	18.033823
"1693710"	331.155323	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+NH4"	18.033823
"341625"	322.6420495	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+H+NH4"	19.041099
"734771"	479.2027995	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+H+NH4"	19.041099
"1489317"	166.0812995	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H+NH4"	19.041099
"404355"	649.232218	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+Na"	22.989218
"768876"	962.353718	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+Na"	22.989218
"1610899"	336.110718	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Na"	22.989218
"328710"	325.119747	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+H+Na"	23.996494
"717726"	481.680497	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+H+Na"	23.996494
"1466081"	168.558997	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H+Na"	23.996494
"1060421"	112.708423333333	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2H+Na"	25.00377
"1262099"	346.154986	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+CH3OH+H"	33.033486
"381769"	665.206158	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+K"	38.963158
"744953"	978.327658	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+K"	38.963158
"1547005"	352.084658	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+K"	38.963158
"308556"	333.106717	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+H+K"	39.970434
"700980"	489.667467	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+H+K"	39.970434
"1455894"	176.545967	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H+K"	39.970434
"245589"	668.276826	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+ACN+H"	42.033826
"1221579"	355.155326	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+ACN+H"	42.033826
"1204368"	178.081301	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+ACN+2H"	43.041102
"202710"	671.21416	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+2Na-H"	44.97116
"641540"	984.33566	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+2Na-H"	44.97116
"1143586"	358.09266	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2Na-H"	44.97116
"184689"	336.110718	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+2Na"	45.978436
"619513"	492.671468	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+2Na"	45.978436
"1122296"	179.549968	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2Na"	45.978436
"1412261"	120.035737333333	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H+2Na"	46.985712
"1445515"	360.134246	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H+HCOOH"	47.012746
"235598"	341.14374	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+3H2O+2H"	56.04448
"1523727"	374.18629	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+IsoProp+H"	61.06479
"415387"	344.097688	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+Na+K"	61.952376
"779665"	500.658438	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+Na+K"	61.952376
"1677090"	187.536938	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Na+K"	61.952376
"261421"	690.258768	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+ACN+Na"	64.015768
"1236318"	377.137268	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+ACN+Na"	64.015768
"1719735"	377.160793	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+NH4+HCOOH"	64.039293
"1182175"	127.363051333333	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+3Na"	68.967654
"1653161"	382.116188	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Na+HCOOH"	68.994688
"162939"	703.16204	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+2K-H"	76.91904
"599584"	1016.28354	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+2K-H"	76.91904
"1089199"	390.04054	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2K-H"	76.91904
"143098"	352.084658	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"2M+2K"	77.926316
"584484"	508.645408	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"3M+2K"	77.926316
"1075554"	195.523908	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2K"	77.926316
"1107670"	392.055092	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2K+H"	78.933592
"1342963"	392.142707	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+DMSO+H"	79.021207
"1015867"	396.181876	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2ACN+H"	83.060376
"1533990"	397.175508	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+IsoProp+Na+H"	84.054008
"1001531"	198.594576	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+2ACN+2H"	84.067652
"1598223"	398.090128	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+K+HCOOH"	84.968628
"1416225"	428.121638	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+H+CF3COOH"	115.000138
"1149070"	219.107851	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+3ACN+2H"	125.094202
"1699358"	445.148185	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+NH4+CF3COOH"	132.026685
"1635736"	450.10358	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+Na+CF3COOH"	136.98208
"1578316"	466.07752	"C09032"	"Angustine"	"C20H15N3O"	"313.1215"	"M+K+CF3COOH"	152.95602
"811967"	296.1889	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M"	0
"983312"	277.17051	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-H2O-H"	-19.01839
"73742"	196.451990666667	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M-3H"	-3.021828
"511114"	295.181624	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M-3H"	-3.021828
"887822"	97.7223573333333	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-3H"	-3.021828
"11864"	295.181624	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M-2H"	-2.014552
"447051"	443.276074	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M-2H"	-2.014552
"829228"	147.087174	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-2H"	-2.014552
"84846"	591.370524	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M-H"	-1.007276
"530968"	887.559424	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M-H"	-1.007276
"909014"	295.181624	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-H"	-1.007276
"58771"	608.397071	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M-2H+NH4"	16.019271
"499424"	904.585971	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M-2H+NH4"	16.019271
"868478"	312.208171	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-2H+NH4"	16.019271
"41847"	613.352466	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M-2H+Na"	20.974666
"479222"	909.541366	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M-2H+Na"	20.974666
"857024"	317.163566	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-2H+Na"	20.974666
"1627652"	317.163566	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Na-2H"	20.974666
"98716"	313.169963	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M-H+Cl"	33.962126
"547026"	461.264413	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M-H+Cl"	33.962126
"932889"	165.075513	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-H+Cl"	33.962126
"276916"	627.347202	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+Cl"	34.969402
"667149"	923.536102	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+Cl"	34.969402
"1282834"	331.158302	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Cl"	34.969402
"28674"	629.326406	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M-2H+K"	36.948606
"460575"	925.515306	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M-2H+K"	36.948606
"834121"	333.137506	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-2H+K"	36.948606
"1559680"	333.137506	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+K-2H"	36.948606
"949751"	341.187094	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-H+HCOOH"	44.998194
"367968"	637.376001	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+HCOOH-H"	44.998201
"354039"	651.391651	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+Hac-H"	59.013851
"1495216"	355.202751	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Hac-H"	59.013851
"959474"	363.169051	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-H+NaCOOH"	66.980151
"112395"	331.158302	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+2Cl"	69.938804
"558881"	479.252752	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+2Cl"	69.938804
"1033148"	183.063852	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2Cl"	69.938804
"1254914"	375.107785	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Br"	78.918885
"1315175"	377.163772	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Cl+HCOOH"	80.974872
"1333767"	399.145729	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Cl+NaCOOH"	102.956829
"925799"	409.174486	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M-H+CF3COOH"	112.985586
"1301531"	445.151164	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Cl+CF3COOH"	148.962264
"1381882"	261.176224	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H-2H2O"	-35.012676
"1396098"	279.1862	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H-H2O"	-17.0027
"292504"	593.385076	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+H"	1.007276
"690516"	889.573976	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+H"	1.007276
"1366503"	297.196176	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H"	1.007276
"138908"	297.196176	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+2H"	2.014552
"578830"	445.290626	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+2H"	2.014552
"1046902"	149.101726	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2H"	2.014552
"216994"	198.466542666667	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+3H"	3.021828
"656553"	297.196176	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+3H"	3.021828
"1173585"	99.7369093333333	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+3H"	3.021828
"436131"	610.411623	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+NH4"	18.033823
"799676"	906.600523	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+NH4"	18.033823
"1691995"	314.222723	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+NH4"	18.033823
"341368"	305.7094495	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+H+NH4"	19.041099
"732329"	453.8038995	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+H+NH4"	19.041099
"1488700"	157.6149995	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H+NH4"	19.041099
"403736"	615.367018	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+Na"	22.989218
"765823"	911.555918	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+Na"	22.989218
"1612098"	319.178118	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Na"	22.989218
"319947"	308.187147	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+H+Na"	23.996494
"713463"	456.281597	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+H+Na"	23.996494
"1468379"	160.092697	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H+Na"	23.996494
"1056884"	107.064223333333	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2H+Na"	25.00377
"1262208"	329.222386	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+CH3OH+H"	33.033486
"381879"	631.340958	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+K"	38.963158
"741782"	927.529858	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+K"	38.963158
"1549302"	335.152058	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+K"	38.963158
"305384"	316.174117	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+H+K"	39.970434
"702181"	464.268567	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+H+K"	39.970434
"1454910"	168.079667	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H+K"	39.970434
"249345"	634.411626	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+ACN+H"	42.033826
"1220596"	338.222726	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+ACN+H"	42.033826
"1202291"	169.615001	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+ACN+2H"	43.041102
"197348"	637.34896	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+2Na-H"	44.97116
"636911"	933.53786	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+2Na-H"	44.97116
"1138237"	341.16006	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2Na-H"	44.97116
"187246"	319.178118	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+2Na"	45.978436
"626926"	467.272568	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+2Na"	45.978436
"1129826"	171.083668	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2Na"	45.978436
"1413351"	114.391537333333	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H+2Na"	46.985712
"1443529"	343.201646	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H+HCOOH"	47.012746
"234920"	324.21114	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+3H2O+2H"	56.04448
"1522739"	357.25369	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+IsoProp+H"	61.06479
"418780"	327.165088	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+Na+K"	61.952376
"779771"	475.259538	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+Na+K"	61.952376
"1675010"	179.070638	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Na+K"	61.952376
"260440"	656.393568	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+ACN+Na"	64.015768
"1236427"	360.204668	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+ACN+Na"	64.015768
"1720939"	360.228193	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+NH4+HCOOH"	64.039293
"1187747"	121.718851333333	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+3Na"	68.967654
"1655458"	365.183588	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Na+HCOOH"	68.994688
"168152"	669.29684	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+2K-H"	76.91904
"603702"	965.48574	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+2K-H"	76.91904
"1093684"	373.10794	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2K-H"	76.91904
"150501"	335.152058	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"2M+2K"	77.926316
"588966"	483.246508	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"3M+2K"	77.926316
"1072385"	187.057608	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2K"	77.926316
"1108509"	375.122492	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2K+H"	78.933592
"1344894"	375.210107	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+DMSO+H"	79.021207
"1009413"	379.249276	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2ACN+H"	83.060376
"1529725"	380.242908	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+IsoProp+Na+H"	84.054008
"992892"	190.128276	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+2ACN+2H"	84.067652
"1589585"	381.157528	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+K+HCOOH"	84.968628
"1420716"	411.189038	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+H+CF3COOH"	115.000138
"1153196"	210.641551	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+3ACN+2H"	125.094202
"1702748"	428.215585	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+NH4+CF3COOH"	132.026685
"1641680"	433.17098	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+Na+CF3COOH"	136.98208
"1575144"	449.14492	"C09033"	"Antirhine"	"C19H24N2O"	"296.1889"	"M+K+CF3COOH"	152.95602
"805512"	366.158	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M"	0
"982329"	347.13961	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-H2O-H"	-19.01839
"73852"	243.098057333333	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M-3H"	-3.021828
"512318"	365.150724	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M-3H"	-3.021828
"885745"	121.045390666667	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-3H"	-3.021828
"11974"	365.150724	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M-2H"	-2.014552
"448255"	548.229724	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M-2H"	-2.014552
"826058"	182.071724	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-2H"	-2.014552
"84956"	731.308724	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M-H"	-1.007276
"525610"	1097.466724	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M-H"	-1.007276
"907787"	365.150724	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-H"	-1.007276
"58880"	748.335271	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M-2H+NH4"	16.019271
"489693"	1114.493271	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M-2H+NH4"	16.019271
"868588"	382.177271	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-2H+NH4"	16.019271
"35396"	753.290666	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M-2H+Na"	20.974666
"479332"	1119.448666	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M-2H+Na"	20.974666
"853854"	387.132666	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-2H+Na"	20.974666
"1627762"	387.132666	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Na-2H"	20.974666
"97366"	383.139063	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M-H+Cl"	33.962126
"542760"	566.218063	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M-H+Cl"	33.962126
"931906"	200.060063	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-H+Cl"	33.962126
"269372"	767.285402	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+Cl"	34.969402
"666166"	1133.443402	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+Cl"	34.969402
"1281851"	401.127402	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Cl"	34.969402
"27691"	769.264606	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M-2H+K"	36.948606
"458498"	1135.422606	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M-2H+K"	36.948606
"838488"	403.106606	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-2H+K"	36.948606
"1559789"	403.106606	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+K-2H"	36.948606
"944394"	411.156194	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-H+HCOOH"	44.998194
"368077"	777.314201	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+HCOOH-H"	44.998201
"354148"	791.329851	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+Hac-H"	59.013851
"1494231"	425.171851	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Hac-H"	59.013851
"959341"	433.138151	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-H+NaCOOH"	66.980151
"114691"	401.127402	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+2Cl"	69.938804
"552795"	584.206402	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+2Cl"	69.938804
"1028885"	218.048402	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2Cl"	69.938804
"1255024"	445.076885	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Br"	78.918885
"1316379"	447.132872	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Cl+HCOOH"	80.974872
"1333876"	469.114829	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Cl+NaCOOH"	102.956829
"924934"	479.143586	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M-H+CF3COOH"	112.985586
"1302734"	515.120264	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Cl+CF3COOH"	148.962264
"1379805"	331.145324	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H-2H2O"	-35.012676
"1396938"	349.1553	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H-H2O"	-17.0027
"293707"	733.323276	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+H"	1.007276
"689408"	1099.481276	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+H"	1.007276
"1364665"	367.165276	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H"	1.007276
"139379"	367.165276	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+2H"	2.014552
"579913"	550.244276	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+2H"	2.014552
"1051388"	184.086276	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2H"	2.014552
"218804"	245.112609333333	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+3H"	3.021828
"658121"	367.165276	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+3H"	3.021828
"1174790"	123.059942666667	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+3H"	3.021828
"437700"	750.349823	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+NH4"	18.033823
"800393"	1116.507823	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+NH4"	18.033823
"1692105"	384.191823	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+NH4"	18.033823
"342574"	375.6785495	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+H+NH4"	19.041099
"734990"	558.7575495	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+H+NH4"	19.041099
"1489903"	192.5995495	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H+NH4"	19.041099
"405668"	755.305218	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+Na"	22.989218
"766297"	1121.463218	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+Na"	22.989218
"1613301"	389.147218	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Na"	22.989218
"321151"	378.156247	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+H+Na"	23.996494
"712482"	561.235247	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+H+Na"	23.996494
"1466302"	195.077247	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H+Na"	23.996494
"1056266"	130.387256666667	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2H+Na"	25.00377
"1262318"	399.191486	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+CH3OH+H"	33.033486
"386364"	771.279158	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+K"	38.963158
"745173"	1137.437158	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+K"	38.963158
"1547225"	405.121158	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+K"	38.963158
"305494"	386.143217	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+H+K"	39.970434
"700105"	569.222217	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+H+K"	39.970434
"1457207"	203.064217	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H+K"	39.970434
"250186"	774.349826	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+ACN+H"	42.033826
"1219612"	408.191826	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+ACN+H"	42.033826
"1203495"	204.599551	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+ACN+2H"	43.041102
"199645"	777.28716	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+2Na-H"	44.97116
"639206"	1143.44516	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+2Na-H"	44.97116
"1138347"	411.12916	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2Na-H"	44.97116
"187233"	389.147218	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+2Na"	45.978436
"627890"	572.226218	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+2Na"	45.978436
"1130301"	206.068218	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2Na"	45.978436
"1412979"	137.714570666667	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H+2Na"	46.985712
"1444729"	413.170746	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H+HCOOH"	47.012746
"234180"	394.18024	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+3H2O+2H"	56.04448
"1521388"	427.22279	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+IsoProp+H"	61.06479
"417794"	397.134188	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+Na+K"	61.952376
"778789"	580.213188	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+Na+K"	61.952376
"1678768"	214.055188	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Na+K"	61.952376
"263827"	796.331768	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+ACN+Na"	64.015768
"1235444"	430.173768	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+ACN+Na"	64.015768
"1719957"	430.197293	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+NH4+HCOOH"	64.039293
"1184215"	145.041884666667	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+3Na"	68.967654
"1655567"	435.152688	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Na+HCOOH"	68.994688
"164251"	809.23504	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+2K-H"	76.91904
"601988"	1175.39304	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+2K-H"	76.91904
"1090514"	443.07704	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2K-H"	76.91904
"151704"	405.121158	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"2M+2K"	77.926316
"589076"	588.200158	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"3M+2K"	77.926316
"1073588"	222.042158	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2K"	77.926316
"1107890"	445.091592	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2K+H"	78.933592
"1343183"	445.179207	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+DMSO+H"	79.021207
"1011709"	449.218376	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2ACN+H"	83.060376
"1530927"	450.212008	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+IsoProp+Na+H"	84.054008
"993002"	225.112826	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+2ACN+2H"	84.067652
"1587994"	451.126628	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+K+HCOOH"	84.968628
"1420826"	481.158138	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+H+CF3COOH"	115.000138
"1153306"	245.626101	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+3ACN+2H"	125.094202
"1699578"	498.184685	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+NH4+CF3COOH"	132.026685
"1639603"	503.14008	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+Na+CF3COOH"	136.98208
"1575254"	519.11402	"C09034"	"Apodine"	"C21H22N2O4"	"366.158"	"M+K+CF3COOH"	152.95602
"808902"	336.1838	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M"	0
"982439"	317.16541	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-H2O-H"	-19.01839
"68494"	223.115257333333	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M-3H"	-3.021828
"511334"	335.176524	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M-3H"	-3.021828
"885855"	111.053990666667	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-3H"	-3.021828
"10990"	335.176524	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M-2H"	-2.014552
"449458"	503.268424	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M-2H"	-2.014552
"823980"	167.084624	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-2H"	-2.014552
"86159"	671.360324	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M-H"	-1.007276
"524625"	1007.544124	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M-H"	-1.007276
"901335"	335.176524	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-H"	-1.007276
"58990"	688.386871	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M-2H+NH4"	16.019271
"496362"	1024.570671	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M-2H+NH4"	16.019271
"870884"	352.203071	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-2H+NH4"	16.019271
"35506"	693.342266	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M-2H+Na"	20.974666
"479442"	1029.526066	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M-2H+Na"	20.974666
"857244"	357.158466	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-2H+Na"	20.974666
"1627872"	357.158466	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Na-2H"	20.974666
"97112"	353.164863	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M-H+Cl"	33.962126
"543963"	521.256763	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M-H+Cl"	33.962126
"932016"	185.072963	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-H+Cl"	33.962126
"267658"	707.337002	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+Cl"	34.969402
"662996"	1043.520802	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+Cl"	34.969402
"1281961"	371.153202	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Cl"	34.969402
"23427"	709.316206	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M-2H+K"	36.948606
"458607"	1045.500006	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M-2H+K"	36.948606
"837504"	373.132406	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-2H+K"	36.948606
"1559899"	373.132406	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+K-2H"	36.948606
"944503"	381.181994	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-H+HCOOH"	44.998194
"363813"	717.365801	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+HCOOH-H"	44.998201
"352071"	731.381451	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+Hac-H"	59.013851
"1494706"	395.197651	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Hac-H"	59.013851
"961882"	403.163951	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-H+NaCOOH"	66.980151
"112977"	371.153202	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+2Cl"	69.938804
"553632"	539.245102	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+2Cl"	69.938804
"1023162"	203.061302	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2Cl"	69.938804
"1251854"	415.102685	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Br"	78.918885
"1315395"	417.158672	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Cl+HCOOH"	80.974872
"1326332"	439.140629	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Cl+NaCOOH"	102.956829
"923949"	449.169386	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M-H+CF3COOH"	112.985586
"1301752"	485.146064	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Cl+CF3COOH"	148.962264
"1380643"	301.171124	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H-2H2O"	-35.012676
"1395225"	319.1811	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H-H2O"	-17.0027
"290537"	673.374876	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+H"	1.007276
"687331"	1009.558676	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+H"	1.007276
"1362588"	337.191076	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H"	1.007276
"140218"	337.191076	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+2H"	2.014552
"573946"	505.282976	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+2H"	2.014552
"1050401"	169.099176	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2H"	2.014552
"218182"	225.129809333333	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+3H"	3.021828
"659078"	337.191076	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+3H"	3.021828
"1177690"	113.068542666667	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+3H"	3.021828
"439428"	690.401423	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+NH4"	18.033823
"799165"	1026.585223	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+NH4"	18.033823
"1696222"	354.217623	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+NH4"	18.033823
"344866"	345.7043495	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+H+NH4"	19.041099
"736192"	513.7962495	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+H+NH4"	19.041099
"1488919"	177.6124495	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H+NH4"	19.041099
"404319"	695.356818	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+Na"	22.989218
"764221"	1031.540618	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+Na"	22.989218
"1610132"	359.173018	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Na"	22.989218
"321260"	348.182047	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+H+Na"	23.996494
"711499"	516.273947	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+H+Na"	23.996494
"1466412"	180.090147	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H+Na"	23.996494
"1056376"	120.395856666667	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2H+Na"	25.00377
"1262428"	369.217286	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+CH3OH+H"	33.033486
"387567"	711.330758	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+K"	38.963158
"746376"	1047.514558	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+K"	38.963158
"1547335"	375.146958	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+K"	38.963158
"305604"	356.169017	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+H+K"	39.970434
"701308"	524.260917	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+H+K"	39.970434
"1457317"	188.077117	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H+K"	39.970434
"249931"	714.401426	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+ACN+H"	42.033826
"1220814"	378.217626	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+ACN+H"	42.033826
"1203605"	189.612451	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+ACN+2H"	43.041102
"194288"	717.33876	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+2Na-H"	44.97116
"636036"	1053.52256	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+2Na-H"	44.97116
"1136263"	381.15496	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2Na-H"	44.97116
"185029"	359.173018	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+2Na"	45.978436
"627761"	527.264918	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+2Na"	45.978436
"1129192"	191.081118	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2Na"	45.978436
"1412970"	127.723170666667	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H+2Na"	46.985712
"1444475"	383.196546	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H+HCOOH"	47.012746
"234897"	364.20604	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+3H2O+2H"	56.04448
"1522469"	397.24859	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+IsoProp+H"	61.06479
"420091"	367.159988	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+Na+K"	61.952376
"777805"	535.251888	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+Na+K"	61.952376
"1678512"	199.068088	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Na+K"	61.952376
"261750"	736.383368	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+ACN+Na"	64.015768
"1235553"	400.199568	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+ACN+Na"	64.015768
"1721159"	400.223093	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+NH4+HCOOH"	64.039293
"1184690"	135.050484666667	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+3Na"	68.967654
"1655312"	405.178488	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Na+HCOOH"	68.994688
"167640"	749.28664	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+2K-H"	76.91904
"603920"	1085.47044	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+2K-H"	76.91904
"1091717"	413.10284	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2K-H"	76.91904
"151814"	375.146958	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"2M+2K"	77.926316
"588094"	543.238858	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"3M+2K"	77.926316
"1073697"	207.055058	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2K"	77.926316
"1108731"	415.117392	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2K+H"	78.933592
"1342199"	415.205007	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+DMSO+H"	79.021207
"1009633"	419.244176	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2ACN+H"	83.060376
"1529944"	420.237808	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+IsoProp+Na+H"	84.054008
"993112"	210.125726	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+2ACN+2H"	84.067652
"1587982"	421.152428	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+K+HCOOH"	84.968628
"1419843"	451.183938	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+H+CF3COOH"	115.000138
"1153416"	230.639001	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+3ACN+2H"	125.094202
"1700781"	468.210485	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+NH4+CF3COOH"	132.026685
"1639713"	473.16588	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+Na+CF3COOH"	136.98208
"1575364"	489.13982	"C09035"	"Apovincamine"	"C21H24N2O2"	"336.1838"	"M+K+CF3COOH"	152.95602
"809012"	264.1626	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M"	0
"989111"	245.14421	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-H2O-H"	-19.01839
"74072"	175.101124	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M-3H"	-3.021828
"512538"	263.155324	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M-3H"	-3.021828
"887058"	87.046924	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-3H"	-3.021828
"11100"	263.155324	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M-2H"	-2.014552
"449568"	395.236624	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M-2H"	-2.014552
"825183"	131.074024	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-2H"	-2.014552
"85176"	527.317924	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M-H"	-1.007276
"522549"	791.480524	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M-H"	-1.007276
"898529"	263.155324	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-H"	-1.007276
"55820"	544.344471	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M-2H+NH4"	16.019271
"493192"	808.507071	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M-2H+NH4"	16.019271
"874274"	280.181871	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-2H+NH4"	16.019271
"34643"	549.299866	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M-2H+Na"	20.974666
"479552"	813.462466	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M-2H+Na"	20.974666
"855167"	285.137266	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-2H+Na"	20.974666
"1627982"	285.137266	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Na-2H"	20.974666
"96127"	281.143663	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M-H+Cl"	33.962126
"544073"	413.224963	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M-H+Cl"	33.962126
"935406"	149.062363	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-H+Cl"	33.962126
"268133"	563.294602	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+Cl"	34.969402
"663834"	827.457202	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+Cl"	34.969402
"1283164"	299.132002	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Cl"	34.969402
"27546"	565.273806	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M-2H+K"	36.948606
"459813"	829.436406	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M-2H+K"	36.948606
"837614"	301.111206	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-2H+K"	36.948606
"1563290"	301.111206	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+K-2H"	36.948606
"946799"	309.160794	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-H+HCOOH"	44.998194
"363193"	573.323401	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+HCOOH-H"	44.998201
"351088"	587.339051	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+Hac-H"	59.013851
"1497368"	323.176451	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Hac-H"	59.013851
"959924"	331.142751	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-H+NaCOOH"	66.980151
"111628"	299.132002	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+2Cl"	69.938804
"554105"	431.213302	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+2Cl"	69.938804
"1025824"	167.050702	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2Cl"	69.938804
"1243582"	343.081485	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Br"	78.918885
"1316599"	345.137472	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Cl+HCOOH"	80.974872
"1323161"	367.119429	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Cl+NaCOOH"	102.956829
"916405"	377.148186	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M-H+CF3COOH"	112.985586
"1294207"	413.124864	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Cl+CF3COOH"	148.962264
"1376743"	229.149924	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H-2H2O"	-35.012676
"1392054"	247.1599	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H-H2O"	-17.0027
"287368"	529.332476	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+H"	1.007276
"686348"	793.495076	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+H"	1.007276
"1359418"	265.169876	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H"	1.007276
"135589"	265.169876	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+2H"	2.014552
"575150"	397.251176	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+2H"	2.014552
"1049418"	133.088576	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2H"	2.014552
"215134"	177.115676	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+3H"	3.021828
"657243"	265.169876	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+3H"	3.021828
"1173912"	89.061476	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+3H"	3.021828
"438282"	546.359023	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+NH4"	18.033823
"797088"	810.521623	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+NH4"	18.033823
"1691231"	282.196423	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+NH4"	18.033823
"342426"	273.6831495	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+H+NH4"	19.041099
"730836"	405.7644495	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+H+NH4"	19.041099
"1482469"	141.6018495	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H+NH4"	19.041099
"401148"	551.314418	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+Na"	22.989218
"761049"	815.477018	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+Na"	22.989218
"1609149"	287.151818	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Na"	22.989218
"316997"	276.160847	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+H+Na"	23.996494
"709418"	408.242147	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+H+Na"	23.996494
"1463966"	144.079547	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H+Na"	23.996494
"1054663"	96.38879	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2H+Na"	25.00377
"1262539"	297.196086	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+CH3OH+H"	33.033486
"381115"	567.288358	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+K"	38.963158
"746486"	831.450958	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+K"	38.963158
"1546351"	303.125758	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+K"	38.963158
"304621"	284.147817	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+H+K"	39.970434
"699231"	416.229117	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+H+K"	39.970434
"1449772"	152.066517	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H+K"	39.970434
"244936"	570.359026	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+ACN+H"	42.033826
"1213271"	306.196426	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+ACN+H"	42.033826
"1200435"	153.601851	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+ACN+2H"	43.041102
"192210"	573.29636	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+2Na-H"	44.97116
"631043"	837.45896	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+2Na-H"	44.97116
"1133822"	309.13376	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2Na-H"	44.97116
"177483"	287.151818	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+2Na"	45.978436
"615220"	419.233118	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+2Na"	45.978436
"1130273"	155.070518	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2Na"	45.978436
"1414007"	103.716104	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H+2Na"	46.985712
"1444704"	311.175346	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H+HCOOH"	47.012746
"234764"	292.18484	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+3H2O+2H"	56.04448
"1520513"	325.22739	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+IsoProp+H"	61.06479
"419107"	295.138788	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+Na+K"	61.952376
"776822"	427.220088	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+Na+K"	61.952376
"1676436"	163.057488	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Na+K"	61.952376
"264413"	592.340968	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+ACN+Na"	64.015768
"1232383"	328.178368	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+ACN+Na"	64.015768
"1716896"	328.201893	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+NH4+HCOOH"	64.039293
"1185530"	111.043418	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+3Na"	68.967654
"1655423"	333.157288	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Na+HCOOH"	68.994688
"165563"	605.24424	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+2K-H"	76.91904
"602937"	869.40684	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+2K-H"	76.91904
"1091826"	341.08164	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2K-H"	76.91904
"150830"	303.125758	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"2M+2K"	77.926316
"588204"	435.207058	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"3M+2K"	77.926316
"1073807"	171.044458	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2K"	77.926316
"1105925"	343.096192	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2K+H"	78.933592
"1343401"	343.183807	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+DMSO+H"	79.021207
"1009743"	347.222976	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2ACN+H"	83.060376
"1528962"	348.216608	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+IsoProp+Na+H"	84.054008
"993222"	174.115126	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+2ACN+2H"	84.067652
"1587726"	349.131228	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+K+HCOOH"	84.968628
"1419953"	379.162738	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+H+CF3COOH"	115.000138
"1154619"	194.628401	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+3ACN+2H"	125.094202
"1700891"	396.189285	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+NH4+CF3COOH"	132.026685
"1639823"	401.14468	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+Na+CF3COOH"	136.98208
"1575474"	417.11862	"C09036"	"(-)-Apparicine"	"C18H20N2"	"264.1626"	"M+K+CF3COOH"	152.95602
"809122"	382.1893	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M"	0
"989592"	363.17091	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-H2O-H"	-19.01839
"77099"	253.785590666667	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M-3H"	-3.021828
"512648"	381.182024	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M-3H"	-3.021828
"883888"	126.389157333333	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-3H"	-3.021828
"9023"	381.182024	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M-2H"	-2.014552
"447491"	572.276674	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M-2H"	-2.014552
"825293"	190.087374	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-2H"	-2.014552
"85285"	763.371324	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M-H"	-1.007276
"524845"	1145.560624	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M-H"	-1.007276
"900826"	381.182024	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-H"	-1.007276
"59210"	780.397871	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M-2H+NH4"	16.019271
"496582"	1162.587171	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M-2H+NH4"	16.019271
"877300"	398.208571	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-2H+NH4"	16.019271
"34632"	785.353266	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M-2H+Na"	20.974666
"479662"	1167.542566	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M-2H+Na"	20.974666
"857464"	403.163966	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-2H+Na"	20.974666
"1631372"	403.163966	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Na-2H"	20.974666
"96603"	399.170363	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M-H+Cl"	33.962126
"540903"	590.265013	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M-H+Cl"	33.962126
"940983"	208.075713	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-H+Cl"	33.962126
"270430"	799.348002	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+Cl"	34.969402
"669776"	1181.537302	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+Cl"	34.969402
"1285461"	417.158702	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Cl"	34.969402
"28749"	801.327206	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M-2H+K"	36.948606
"466486"	1183.516506	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M-2H+K"	36.948606
"845379"	419.137906	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-2H+K"	36.948606
"1559027"	419.137906	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+K-2H"	36.948606
"947275"	427.187494	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-H+HCOOH"	44.998194
"368772"	809.376801	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+HCOOH-H"	44.998201
"353385"	823.392451	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+Hac-H"	59.013851
"1498571"	441.203151	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Hac-H"	59.013851
"963927"	449.169451	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-H+NaCOOH"	66.980151
"112468"	417.158702	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+2Cl"	69.938804
"552761"	608.253352	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+2Cl"	69.938804
"1029215"	226.064052	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2Cl"	69.938804
"1249888"	461.108185	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Br"	78.918885
"1311240"	463.164172	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Cl+HCOOH"	80.974872
"1326552"	485.146129	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Cl+NaCOOH"	102.956829
"916516"	495.174886	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M-H+CF3COOH"	112.985586
"1297599"	531.151564	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Cl+CF3COOH"	148.962264
"1375761"	347.176624	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H-2H2O"	-35.012676
"1392165"	365.1866	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H-H2O"	-17.0027
"292944"	765.385876	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+H"	1.007276
"687552"	1147.575176	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+H"	1.007276
"1365725"	383.196576	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H"	1.007276
"140075"	383.196576	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+2H"	2.014552
"580729"	574.291226	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+2H"	2.014552
"1050625"	192.101926	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2H"	2.014552
"218524"	255.800142666667	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+3H"	3.021828
"658081"	383.196576	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+3H"	3.021828
"1176938"	128.403709333333	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+3H"	3.021828
"439243"	782.412423	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+NH4"	18.033823
"799384"	1164.601723	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+NH4"	18.033823
"1696078"	400.223123	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+NH4"	18.033823
"343265"	391.7098495	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+H+NH4"	19.041099
"735318"	582.8044995	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+H+NH4"	19.041099
"1486955"	200.6151995	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H+NH4"	19.041099
"404541"	787.367818	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+Na"	22.989218
"764439"	1169.557118	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+Na"	22.989218
"1611445"	405.178518	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Na"	22.989218
"320387"	394.187547	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+H+Na"	23.996494
"710624"	585.282197	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+H+Na"	23.996494
"1464445"	203.092897	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H+Na"	23.996494
"1057688"	135.731023333333	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2H+Na"	25.00377
"1264837"	415.222786	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+CH3OH+H"	33.033486
"380133"	803.341758	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+K"	38.963158
"745504"	1185.531058	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+K"	38.963158
"1551565"	421.152458	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+K"	38.963158
"304732"	402.174517	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+H+K"	39.970434
"698248"	593.269167	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+H+K"	39.970434
"1455347"	211.079867	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H+K"	39.970434
"246139"	806.412426	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+ACN+H"	42.033826
"1219941"	424.223126	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+ACN+H"	42.033826
"1200544"	212.615201	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+ACN+2H"	43.041102
"192321"	809.34976	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+2Na-H"	44.97116
"635163"	1191.53906	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+2Na-H"	44.97116
"1137577"	427.16046	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2Na-H"	44.97116
"177228"	405.178518	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+2Na"	45.978436
"616424"	596.273168	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+2Na"	45.978436
"1126129"	214.083868	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2Na"	45.978436
"1410747"	143.058337333333	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H+2Na"	46.985712
"1445309"	429.202046	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H+HCOOH"	47.012746
"235517"	410.21154	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+3H2O+2H"	56.04448
"1523782"	443.25409	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+H"	61.06479
"417029"	413.165488	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+Na+K"	61.952376
"781305"	604.260138	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+Na+K"	61.952376
"1674357"	222.070838	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Na+K"	61.952376
"264160"	828.394368	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+ACN+Na"	64.015768
"1230306"	446.205068	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+ACN+Na"	64.015768
"1718099"	446.228593	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+NH4+HCOOH"	64.039293
"1183455"	150.385651333333	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+3Na"	68.967654
"1655532"	451.183988	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Na+HCOOH"	68.994688
"164579"	841.29764	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+2K-H"	76.91904
"604141"	1223.48694	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+2K-H"	76.91904
"1091934"	459.10834	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2K-H"	76.91904
"150940"	421.152458	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"2M+2K"	77.926316
"582963"	612.247108	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"3M+2K"	77.926316
"1077201"	230.057808	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2K"	77.926316
"1106035"	461.122892	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2K+H"	78.933592
"1344605"	461.210507	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+DMSO+H"	79.021207
"1008759"	465.249676	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2ACN+H"	83.060376
"1529071"	466.243308	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+Na+H"	84.054008
"993332"	233.128476	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+2ACN+2H"	84.067652
"1591118"	467.157928	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+K+HCOOH"	84.968628
"1420063"	497.189438	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+H+CF3COOH"	115.000138
"1153636"	253.641751	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+3ACN+2H"	125.094202
"1701001"	514.215985	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+NH4+CF3COOH"	132.026685
"1641027"	519.17138	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+Na+CF3COOH"	136.98208
"1575584"	535.14532	"C09037"	"Aricine"	"C22H26N2O4"	"382.1893"	"M+K+CF3COOH"	152.95602
"809232"	428.2311	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M"	0
"978392"	409.21271	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-H2O-H"	-19.01839
"65540"	284.480124	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M-3H"	-3.021828
"504008"	427.223824	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M-3H"	-3.021828
"883996"	141.736424	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-3H"	-3.021828
"8038"	427.223824	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M-2H"	-2.014552
"447599"	641.339374	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M-2H"	-2.014552
"824305"	213.108274	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-2H"	-2.014552
"85391"	855.454924	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M-H"	-1.007276
"529325"	1283.686024	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M-H"	-1.007276
"900567"	427.223824	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-H"	-1.007276
"53847"	872.481471	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M-2H+NH4"	16.019271
"490128"	1300.712571	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M-2H+NH4"	16.019271
"864565"	444.250371	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-2H+NH4"	16.019271
"39114"	877.436866	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M-2H+Na"	20.974666
"477585"	1305.667966	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M-2H+Na"	20.974666
"854294"	449.205766	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-2H+Na"	20.974666
"1625286"	449.205766	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Na-2H"	20.974666
"94456"	445.212163	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M-H+Cl"	33.962126
"541013"	659.327713	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M-H+Cl"	33.962126
"940000"	231.096613	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-H+Cl"	33.962126
"275280"	891.431602	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+Cl"	34.969402
"666606"	1319.662702	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+Cl"	34.969402
"1277917"	463.200502	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Cl"	34.969402
"27036"	893.410806	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M-2H+K"	36.948606
"461130"	1321.641906	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M-2H+K"	36.948606
"842211"	465.179706	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-2H+K"	36.948606
"1559138"	465.179706	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+K-2H"	36.948606
"950301"	473.229294	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-H+HCOOH"	44.998194
"368153"	901.460401	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+HCOOH-H"	44.998201
"355682"	915.476051	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+Hac-H"	59.013851
"1495766"	487.244951	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Hac-H"	59.013851
"960757"	495.211251	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-H+NaCOOH"	66.980151
"110510"	463.200502	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+2Cl"	69.938804
"550682"	677.316052	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+2Cl"	69.938804
"1029325"	249.084952	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2Cl"	69.938804
"1247812"	507.149985	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Br"	78.918885
"1311350"	509.205972	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Cl+HCOOH"	80.974872
"1321195"	531.187929	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Cl+NaCOOH"	102.956829
"916626"	541.216686	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M-H+CF3COOH"	112.985586
"1292242"	577.193364	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Cl+CF3COOH"	148.962264
"1373683"	393.218424	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H-2H2O"	-35.012676
"1395553"	411.2284	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H-H2O"	-17.0027
"289773"	857.469476	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+H"	1.007276
"684382"	1285.700576	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+H"	1.007276
"1359639"	429.238376	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H"	1.007276
"139090"	429.238376	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+2H"	2.014552
"580473"	643.353926	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+2H"	2.014552
"1051098"	215.122826	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2H"	2.014552
"215355"	286.494676	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+3H"	3.021828
"654911"	429.238376	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+3H"	3.021828
"1175225"	143.750976	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+3H"	3.021828
"438500"	874.496023	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+NH4"	18.033823
"798402"	1302.727123	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+NH4"	18.033823
"1693635"	446.264923	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+NH4"	18.033823
"344468"	437.7516495	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+H+NH4"	19.041099
"734334"	651.8671995	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+H+NH4"	19.041099
"1487065"	223.6360995	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H+NH4"	19.041099
"403558"	879.451418	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+Na"	22.989218
"763455"	1307.682518	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+Na"	22.989218
"1611556"	451.220318	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Na"	22.989218
"318312"	440.229347	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+H+Na"	23.996494
"709643"	654.344897	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+H+Na"	23.996494
"1464555"	226.113797	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H+Na"	23.996494
"1058891"	151.07829	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2H+Na"	25.00377
"1263853"	461.264586	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+CH3OH+H"	33.033486
"384616"	895.425358	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+K"	38.963158
"743427"	1323.656458	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+K"	38.963158
"1549852"	467.194258	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+K"	38.963158
"308122"	448.216317	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+H+K"	39.970434
"698358"	662.331867	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+H+K"	39.970434
"1453270"	234.100767	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H+K"	39.970434
"245156"	898.496026	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+ACN+H"	42.033826
"1220051"	470.264926	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+ACN+H"	42.033826
"1201748"	235.636101	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+ACN+2H"	43.041102
"191338"	901.43336	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+2Na-H"	44.97116
"633087"	1329.66446	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+2Na-H"	44.97116
"1135500"	473.20226	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2Na-H"	44.97116
"176973"	451.220318	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+2Na"	45.978436
"614711"	665.335868	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+2Na"	45.978436
"1127333"	237.104768	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2Na"	45.978436
"1410857"	158.405604	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H+2Na"	46.985712
"1445451"	475.243846	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H+HCOOH"	47.012746
"235105"	456.25334	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+3H2O+2H"	56.04448
"1518546"	489.29589	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+IsoProp+H"	61.06479
"413859"	459.207288	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+Na+K"	61.952376
"781414"	673.322838	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+Na+K"	61.952376
"1674467"	245.091738	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Na+K"	61.952376
"262084"	920.477968	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+ACN+Na"	64.015768
"1236976"	492.246868	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+ACN+Na"	64.015768
"1719303"	492.270393	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+NH4+HCOOH"	64.039293
"1182472"	165.732918	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+3Na"	68.967654
"1653459"	497.225788	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Na+HCOOH"	68.994688
"160317"	933.38124	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+2K-H"	76.91904
"599878"	1361.61234	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+2K-H"	76.91904
"1088765"	505.15014	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2K-H"	76.91904
"149956"	467.194258	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"2M+2K"	77.926316
"585141"	681.309808	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"3M+2K"	77.926316
"1074030"	253.078708	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2K"	77.926316
"1101890"	507.164692	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2K+H"	78.933592
"1345808"	507.252307	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+DMSO+H"	79.021207
"1011056"	511.291476	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2ACN+H"	83.060376
"1529181"	512.285108	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+IsoProp+Na+H"	84.054008
"991255"	256.149376	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+2ACN+2H"	84.067652
"1589042"	513.199728	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+K+HCOOH"	84.968628
"1420173"	543.231238	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+H+CF3COOH"	115.000138
"1154839"	276.662651	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+3ACN+2H"	125.094202
"1703298"	560.257785	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+NH4+CF3COOH"	132.026685
"1638950"	565.21318	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+Na+CF3COOH"	136.98208
"1578975"	581.18712	"C09038"	"Aspidoalbine"	"C24H32N2O5"	"428.2311"	"M+K+CF3COOH"	152.95602
"809342"	370.1893	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M"	0
"976315"	351.17091	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-H2O-H"	-19.01839
"72209"	245.785590666667	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M-3H"	-3.021828
"509584"	369.182024	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M-3H"	-3.021828
"887386"	122.389157333333	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-3H"	-3.021828
"8147"	369.182024	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M-2H"	-2.014552
"446615"	554.276674	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M-2H"	-2.014552
"822227"	184.087374	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-2H"	-2.014552
"86595"	739.371324	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M-H"	-1.007276
"529435"	1109.560624	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M-H"	-1.007276
"902864"	369.182024	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-H"	-1.007276
"57237"	756.397871	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M-2H+NH4"	16.019271
"492425"	1126.587171	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M-2H+NH4"	16.019271
"867312"	386.208571	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-2H+NH4"	16.019271
"39224"	761.353266	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M-2H+Na"	20.974666
"476602"	1131.542566	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M-2H+Na"	20.974666
"851124"	391.163966	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-2H+Na"	20.974666
"1620654"	391.163966	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Na-2H"	20.974666
"96822"	387.170363	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M-H+Cl"	33.962126
"541123"	572.265013	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M-H+Cl"	33.962126
"940107"	202.075713	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-H+Cl"	33.962126
"276483"	775.348002	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+Cl"	34.969402
"666716"	1145.537302	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+Cl"	34.969402
"1282401"	405.158702	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Cl"	34.969402
"26053"	777.327206	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M-2H+K"	36.948606
"458324"	1147.516506	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M-2H+K"	36.948606
"844507"	407.137906	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-2H+K"	36.948606
"1559248"	407.137906	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+K-2H"	36.948606
"947131"	415.187494	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-H+HCOOH"	44.998194
"367535"	785.376801	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+HCOOH-H"	44.998201
"351418"	799.392451	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+Hac-H"	59.013851
"1499157"	429.203151	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Hac-H"	59.013851
"961960"	437.169451	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-H+NaCOOH"	66.980151
"112691"	405.158702	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+2Cl"	69.938804
"552250"	590.253352	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+2Cl"	69.938804
"1022142"	220.064052	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2Cl"	69.938804
"1245733"	449.108185	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Br"	78.918885
"1308177"	451.164172	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Cl+HCOOH"	80.974872
"1321305"	473.146129	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Cl+NaCOOH"	102.956829
"912362"	483.174886	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M-H+CF3COOH"	112.985586
"1291259"	519.151564	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Cl+CF3COOH"	148.962264
"1370513"	335.176624	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H-2H2O"	-35.012676
"1392383"	353.1866	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H-H2O"	-17.0027
"287697"	741.385876	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+H"	1.007276
"679025"	1111.575176	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+H"	1.007276
"1363029"	371.196576	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H"	1.007276
"139080"	371.196576	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+2H"	2.014552
"576574"	556.291226	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+2H"	2.014552
"1049748"	186.101926	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2H"	2.014552
"215466"	247.800142666667	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+3H"	3.021828
"656114"	371.196576	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+3H"	3.021828
"1174242"	124.403709333333	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+3H"	3.021828
"438609"	758.412423	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+NH4"	18.033823
"799605"	1128.601723	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+NH4"	18.033823
"1692652"	388.223123	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+NH4"	18.033823
"343120"	379.7098495	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+H+NH4"	19.041099
"733350"	564.8044995	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+H+NH4"	19.041099
"1488267"	194.6151995	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H+NH4"	19.041099
"404760"	763.367818	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+Na"	22.989218
"762472"	1133.557118	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+Na"	22.989218
"1608386"	393.178518	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Na"	22.989218
"321705"	382.187547	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+H+Na"	23.996494
"708295"	567.282197	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+H+Na"	23.996494
"1463207"	197.092897	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H+Na"	23.996494
"1057909"	131.731023333333	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2H+Na"	25.00377
"1263963"	403.222786	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+CH3OH+H"	33.033486
"381446"	779.341758	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+K"	38.963158
"746817"	1149.531058	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+K"	38.963158
"1549962"	409.152458	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+K"	38.963158
"310784"	390.174517	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+H+K"	39.970434
"703571"	575.269167	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+H+K"	39.970434
"1453380"	205.079867	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H+K"	39.970434
"244173"	782.412426	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+ACN+H"	42.033826
"1220163"	412.223126	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+ACN+H"	42.033826
"1201859"	206.615201	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+ACN+2H"	43.041102
"195824"	785.34976	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+2Na-H"	44.97116
"635386"	1155.53906	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+2Na-H"	44.97116
"1135613"	415.16046	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2Na-H"	44.97116
"175623"	393.178518	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+2Na"	45.978436
"614821"	578.273168	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+2Na"	45.978436
"1127443"	208.083868	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2Na"	45.978436
"1406592"	139.058337333333	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H+2Na"	46.985712
"1444912"	417.202046	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H+HCOOH"	47.012746
"234972"	398.21154	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+3H2O+2H"	56.04448
"1521939"	431.25409	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+IsoProp+H"	61.06479
"420529"	401.165488	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+Na+K"	61.952376
"780431"	586.260138	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+Na+K"	61.952376
"1675671"	216.070838	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Na+K"	61.952376
"262191"	804.394368	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+ACN+Na"	64.015768
"1233805"	434.205068	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+ACN+Na"	64.015768
"1722328"	434.228593	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+NH4+HCOOH"	64.039293
"1185862"	146.385651333333	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+3Na"	68.967654
"1655752"	439.183988	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Na+HCOOH"	68.994688
"162615"	817.29764	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+2K-H"	76.91904
"606184"	1187.48694	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+2K-H"	76.91904
"1092887"	447.10834	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2K-H"	76.91904
"148974"	409.152458	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"2M+2K"	77.926316
"584889"	594.247108	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"3M+2K"	77.926316
"1077422"	224.057808	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2K"	77.926316
"1107348"	449.122892	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2K+H"	78.933592
"1344463"	449.210507	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+DMSO+H"	79.021207
"1015541"	453.249676	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2ACN+H"	83.060376
"1533667"	454.243308	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+IsoProp+Na+H"	84.054008
"994646"	227.128476	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+2ACN+2H"	84.067652
"1588059"	455.157928	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+K+HCOOH"	84.968628
"1421376"	485.189438	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+H+CF3COOH"	115.000138
"1153856"	247.641751	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+3ACN+2H"	125.094202
"1703408"	502.215985	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+NH4+CF3COOH"	132.026685
"1639060"	507.17138	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+Na+CF3COOH"	136.98208
"1579085"	523.14532	"C09039"	"Aspidodasycarpine"	"C21H26N2O4"	"370.1893"	"M+K+CF3COOH"	152.95602
"809452"	366.1943	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M"	0
"974843"	347.17591	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-H2O-H"	-19.01839
"65029"	243.122257333333	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M-3H"	-3.021828
"506414"	365.187024	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M-3H"	-3.021828
"884216"	121.057490666667	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-3H"	-3.021828
"8257"	365.187024	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M-2H"	-2.014552
"445632"	548.284174	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M-2H"	-2.014552
"823432"	182.089874	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-2H"	-2.014552
"83425"	731.381324	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M-H"	-1.007276
"526265"	1097.575624	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M-H"	-1.007276
"902974"	365.187024	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-H"	-1.007276
"50787"	748.407871	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M-2H+NH4"	16.019271
"489376"	1114.602171	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M-2H+NH4"	16.019271
"867058"	382.213571	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-2H+NH4"	16.019271
"40427"	753.363266	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M-2H+Na"	20.974666
"478899"	1119.557566	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M-2H+Na"	20.974666
"851598"	387.168966	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-2H+Na"	20.974666
"1625139"	387.168966	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Na-2H"	20.974666
"96566"	383.175363	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M-H+Cl"	33.962126
"536129"	566.272513	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M-H+Cl"	33.962126
"939489"	200.078213	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-H+Cl"	33.962126
"278778"	767.358002	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+Cl"	34.969402
"669013"	1133.552302	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+Cl"	34.969402
"1274856"	401.163702	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Cl"	34.969402
"23976"	769.337206	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M-2H+K"	36.948606
"456730"	1135.531506	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M-2H+K"	36.948606
"841336"	403.142906	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-2H+K"	36.948606
"1559357"	403.142906	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+K-2H"	36.948606
"945053"	411.192494	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-H+HCOOH"	44.998194
"363270"	777.386801	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+HCOOH-H"	44.998201
"350798"	791.402451	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+Hac-H"	59.013851
"1493434"	425.208151	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Hac-H"	59.013851
"959882"	433.174451	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-H+NaCOOH"	66.980151
"113530"	401.163702	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+2Cl"	69.938804
"550903"	584.260852	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+2Cl"	69.938804
"1021399"	218.066552	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2Cl"	69.938804
"1241344"	445.113185	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Br"	78.918885
"1309380"	447.169172	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Cl+HCOOH"	80.974872
"1319910"	469.151129	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Cl+NaCOOH"	102.956829
"912592"	479.179886	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M-H+CF3COOH"	112.985586
"1289666"	515.156564	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Cl+CF3COOH"	148.962264
"1367417"	331.181624	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H-2H2O"	-35.012676
"1390306"	349.1916	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H-H2O"	-17.0027
"283917"	733.395876	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+H"	1.007276
"676217"	1099.590176	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+H"	1.007276
"1358766"	367.201576	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H"	1.007276
"134575"	367.201576	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+2H"	2.014552
"575591"	550.298726	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+2H"	2.014552
"1044393"	184.104426	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2H"	2.014552
"211202"	245.136809333333	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+3H"	3.021828
"651851"	367.201576	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+3H"	3.021828
"1173258"	123.072042666667	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+3H"	3.021828
"434346"	750.422423	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+NH4"	18.033823
"795342"	1116.616723	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+NH4"	18.033823
"1693492"	384.228123	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+NH4"	18.033823
"342135"	375.7148495	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+H+NH4"	19.041099
"736376"	558.8119995	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+H+NH4"	19.041099
"1488376"	192.6176995	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H+NH4"	19.041099
"402680"	755.377818	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+Na"	22.989218
"760395"	1121.572118	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+Na"	22.989218
"1608494"	389.183518	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Na"	22.989218
"318535"	378.192547	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+H+Na"	23.996494
"709864"	561.289697	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+H+Na"	23.996494
"1464048"	195.095397	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H+Na"	23.996494
"1054860"	130.399356666667	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2H+Na"	25.00377
"1257510"	399.227786	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+CH3OH+H"	33.033486
"381555"	771.351758	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+K"	38.963158
"740729"	1137.546058	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+K"	38.963158
"1544604"	405.157458	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+K"	38.963158
"307248"	386.179517	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+H+K"	39.970434
"698577"	569.276667	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+H+K"	39.970434
"1451302"	203.082367	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H+K"	39.970434
"249386"	774.422426	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+ACN+H"	42.033826
"1224408"	408.228126	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+ACN+H"	42.033826
"1204155"	204.617701	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+ACN+2H"	43.041102
"197026"	777.35976	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+2Na-H"	44.97116
"641573"	1143.55406	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+2Na-H"	44.97116
"1136813"	411.16546	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2Na-H"	44.97116
"180107"	389.183518	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+2Na"	45.978436
"617483"	572.280668	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+2Na"	45.978436
"1124271"	206.086368	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2Na"	45.978436
"1406702"	137.726670666667	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H+2Na"	46.985712
"1444535"	413.207046	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H+HCOOH"	47.012746
"235079"	394.21654	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+3H2O+2H"	56.04448
"1519133"	427.25909	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+H"	61.06479
"418817"	397.170488	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+Na+K"	61.952376
"778355"	580.267638	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+Na+K"	61.952376
"1675052"	214.073338	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Na+K"	61.952376
"261573"	796.404368	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+ACN+Na"	64.015768
"1232458"	430.210068	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+ACN+Na"	64.015768
"1720251"	430.233593	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+NH4+HCOOH"	64.039293
"1182691"	145.053984666667	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+3Na"	68.967654
"1656227"	435.188988	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Na+HCOOH"	68.994688
"161631"	809.30764	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+2K-H"	76.91904
"607026"	1175.50194	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+2K-H"	76.91904
"1091176"	443.11334	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2K-H"	76.91904
"153095"	405.157458	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"2M+2K"	77.926316
"586092"	588.254608	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"3M+2K"	77.926316
"1073884"	222.060308	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2K"	77.926316
"1105274"	445.127892	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2K+H"	78.933592
"1343845"	445.215507	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+DMSO+H"	79.021207
"1014558"	449.254676	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2ACN+H"	83.060376
"1535236"	450.248308	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+Na+H"	84.054008
"998037"	225.130976	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+2ACN+2H"	84.067652
"1587188"	451.162928	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+K+HCOOH"	84.968628
"1420392"	481.194438	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+H+CF3COOH"	115.000138
"1151776"	245.644251	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+3ACN+2H"	125.094202
"1703518"	498.220985	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+NH4+CF3COOH"	132.026685
"1639170"	503.17638	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+Na+CF3COOH"	136.98208
"1579195"	519.15032	"C09040"	"Aspidofractine"	"C22H26N2O3"	"366.1943"	"M+K+CF3COOH"	152.95602
"809562"	338.1994	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M"	0
"974872"	319.18101	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-H2O-H"	-19.01839
"69149"	224.458990666667	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M-3H"	-3.021828
"510897"	337.192124	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M-3H"	-3.021828
"887606"	111.725857333333	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-3H"	-3.021828
"11647"	337.192124	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M-2H"	-2.014552
"447928"	506.291824	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M-2H"	-2.014552
"824635"	168.092424	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-2H"	-2.014552
"83535"	675.391524	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M-H"	-1.007276
"526375"	1013.590924	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M-H"	-1.007276
"899804"	337.192124	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-H"	-1.007276
"51990"	692.418071	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M-2H+NH4"	16.019271
"490458"	1030.617471	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M-2H+NH4"	16.019271
"868261"	354.218671	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-2H+NH4"	16.019271
"40537"	697.373466	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M-2H+Na"	20.974666
"482290"	1035.572866	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M-2H+Na"	20.974666
"854624"	359.174066	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-2H+Na"	20.974666
"1628529"	359.174066	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Na-2H"	20.974666
"98500"	355.180463	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M-H+Cl"	33.962126
"535511"	524.280163	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M-H+Cl"	33.962126
"938140"	186.080763	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-H+Cl"	33.962126
"281804"	711.368202	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+Cl"	34.969402
"672402"	1049.567602	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+Cl"	34.969402
"1283713"	373.168802	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Cl"	34.969402
"20806"	713.347406	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M-2H+K"	36.948606
"458179"	1051.546806	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M-2H+K"	36.948606
"835979"	375.148006	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-2H+K"	36.948606
"1558372"	375.148006	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+K-2H"	36.948606
"947348"	383.197594	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-H+HCOOH"	44.998194
"364471"	721.397001	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+HCOOH-H"	44.998201
"351635"	735.412651	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+Hac-H"	59.013851
"1495730"	397.213251	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Hac-H"	59.013851
"960722"	405.179551	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-H+NaCOOH"	66.980151
"113273"	373.168802	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+2Cl"	69.938804
"551739"	542.268502	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+2Cl"	69.938804
"1021751"	204.069102	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2Cl"	69.938804
"1243033"	417.118285	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Br"	78.918885
"1309490"	419.174272	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Cl+HCOOH"	80.974872
"1324799"	441.156229	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Cl+NaCOOH"	102.956829
"916950"	451.184986	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M-H+CF3COOH"	112.985586
"1289652"	487.161664	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Cl+CF3COOH"	148.962264
"1367368"	303.186724	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H-2H2O"	-35.012676
"1387136"	321.1967	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H-H2O"	-17.0027
"284149"	677.406076	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+H"	1.007276
"676448"	1015.605476	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+H"	1.007276
"1357782"	339.206676	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H"	1.007276
"137235"	339.206676	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+2H"	2.014552
"575701"	508.306376	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+2H"	2.014552
"1046688"	170.106976	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2H"	2.014552
"213497"	226.473542666667	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+3H"	3.021828
"653055"	339.206676	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+3H"	3.021828
"1174461"	113.740409333333	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+3H"	3.021828
"435549"	694.432623	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+NH4"	18.033823
"795452"	1032.632023	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+NH4"	18.033823
"1693601"	356.233223	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+NH4"	18.033823
"342244"	347.7199495	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+H+NH4"	19.041099
"733573"	516.8196495	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+H+NH4"	19.041099
"1489215"	178.6202495	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H+NH4"	19.041099
"402790"	699.388018	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+Na"	22.989218
"757224"	1037.587418	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+Na"	22.989218
"1605324"	361.188618	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Na"	22.989218
"318645"	350.197647	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+H+Na"	23.996494
"708151"	519.297347	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+H+Na"	23.996494
"1461962"	181.097947	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H+Na"	23.996494
"1053268"	121.067723333333	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2H+Na"	25.00377
"1257617"	371.232886	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+CH3OH+H"	33.033486
"383852"	715.361958	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+K"	38.963158
"742662"	1053.561358	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+K"	38.963158
"1549088"	377.162558	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+K"	38.963158
"310638"	358.184617	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+H+K"	39.970434
"698687"	527.284317	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+H+K"	39.970434
"1451412"	189.084917	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H+K"	39.970434
"248766"	718.432626	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+ACN+H"	42.033826
"1223908"	380.233226	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+ACN+H"	42.033826
"1204265"	190.620251	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+ACN+2H"	43.041102
"197136"	721.36996	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+2Na-H"	44.97116
"642166"	1059.56936	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+2Na-H"	44.97116
"1135830"	383.17056	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2Na-H"	44.97116
"179123"	361.188618	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+2Na"	45.978436
"617593"	530.288318	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+2Na"	45.978436
"1125474"	192.088918	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2Na"	45.978436
"1408998"	128.395037333333	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H+2Na"	46.985712
"1442944"	385.212146	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H+HCOOH"	47.012746
"233368"	366.22164	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+3H2O+2H"	56.04448
"1519608"	399.26419	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+IsoProp+H"	61.06479
"417467"	369.175588	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+Na+K"	61.952376
"779558"	538.275288	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+Na+K"	61.952376
"1674796"	200.075888	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Na+K"	61.952376
"259130"	740.414568	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+ACN+Na"	64.015768
"1231839"	402.215168	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+ACN+Na"	64.015768
"1719632"	402.238693	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+NH4+HCOOH"	64.039293
"1186081"	135.722351333333	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+3Na"	68.967654
"1657066"	407.194088	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Na+HCOOH"	68.994688
"166115"	753.31784	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+2K-H"	76.91904
"607136"	1091.51724	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+2K-H"	76.91904
"1092379"	415.11844	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2K-H"	76.91904
"152112"	377.162558	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"2M+2K"	77.926316
"585475"	546.262258	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"3M+2K"	77.926316
"1076545"	208.062858	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2K"	77.926316
"1105383"	417.132992	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2K+H"	78.933592
"1345047"	417.220607	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+DMSO+H"	79.021207
"1017951"	421.259776	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2ACN+H"	83.060376
"1536074"	422.253408	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+IsoProp+Na+H"	84.054008
"995959"	211.133526	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+2ACN+2H"	84.067652
"1587666"	423.168028	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+K+HCOOH"	84.968628
"1420503"	453.199538	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+H+CF3COOH"	115.000138
"1151886"	231.646801	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+3ACN+2H"	125.094202
"1703628"	470.226085	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+NH4+CF3COOH"	132.026685
"1639280"	475.18148	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+Na+CF3COOH"	136.98208
"1579305"	491.15542	"C09041"	"Aspidospermatine"	"C21H26N2O2"	"338.1994"	"M+K+CF3COOH"	152.95602
"809672"	354.2307	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M"	0
"974699"	335.21231	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-H2O-H"	-19.01839
"68166"	235.146524	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M-3H"	-3.021828
"509913"	353.223424	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M-3H"	-3.021828
"890995"	117.069624	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-3H"	-3.021828
"8477"	353.223424	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M-2H"	-2.014552
"446944"	530.338774	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M-2H"	-2.014552
"821465"	176.108074	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-2H"	-2.014552
"83645"	707.454124	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M-H"	-1.007276
"523205"	1061.684824	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M-H"	-1.007276
"899914"	353.223424	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-H"	-1.007276
"52099"	724.480671	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M-2H+NH4"	16.019271
"490568"	1078.711371	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M-2H+NH4"	16.019271
"866184"	370.249971	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-2H+NH4"	16.019271
"37367"	729.436066	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M-2H+Na"	20.974666
"482400"	1083.666766	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M-2H+Na"	20.974666
"854734"	375.205366	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-2H+Na"	20.974666
"1628639"	375.205366	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Na-2H"	20.974666
"96424"	371.211763	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M-H+Cl"	33.962126
"535621"	548.327113	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M-H+Cl"	33.962126
"938250"	194.096413	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-H+Cl"	33.962126
"282035"	743.430802	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+Cl"	34.969402
"669231"	1097.661502	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+Cl"	34.969402
"1284916"	389.200102	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Cl"	34.969402
"22009"	745.410006	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M-2H+K"	36.948606
"458289"	1099.640706	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M-2H+K"	36.948606
"837182"	391.179306	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-2H+K"	36.948606
"1558483"	391.179306	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+K-2H"	36.948606
"948551"	399.228894	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-H+HCOOH"	44.998194
"363852"	753.459601	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+HCOOH-H"	44.998201
"351745"	767.475251	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+Hac-H"	59.013851
"1496204"	413.244551	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Hac-H"	59.013851
"963748"	421.210851	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-H+NaCOOH"	66.980151
"113383"	389.200102	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+2Cl"	69.938804
"552578"	566.315452	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+2Cl"	69.938804
"1022835"	212.084752	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2Cl"	69.938804
"1243873"	433.149585	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Br"	78.918885
"1310693"	435.205572	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Cl+HCOOH"	80.974872
"1320539"	457.187529	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Cl+NaCOOH"	102.956829
"913054"	467.216286	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M-H+CF3COOH"	112.985586
"1290489"	503.192964	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Cl+CF3COOH"	148.962264
"1368287"	319.218024	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H-2H2O"	-35.012676
"1385059"	337.228	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H-H2O"	-17.0027
"283163"	709.468676	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+H"	1.007276
"675869"	1063.699376	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+H"	1.007276
"1357892"	355.237976	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H"	1.007276
"134065"	355.237976	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+2H"	2.014552
"575811"	532.353326	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+2H"	2.014552
"1043518"	178.122626	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2H"	2.014552
"210325"	237.161076	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+3H"	3.021828
"650978"	355.237976	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+3H"	3.021828
"1172384"	119.084176	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+3H"	3.021828
"432378"	726.495223	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+NH4"	18.033823
"793374"	1080.725923	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+NH4"	18.033823
"1691888"	372.264523	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+NH4"	18.033823
"340167"	363.7512495	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+H+NH4"	19.041099
"733681"	540.8665995	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+H+NH4"	19.041099
"1486409"	186.6358995	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H+NH4"	19.041099
"400715"	731.450618	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+Na"	22.989218
"760616"	1085.681318	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+Na"	22.989218
"1603368"	377.219918	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Na"	22.989218
"314987"	366.228947	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+H+Na"	23.996494
"710084"	543.344297	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+H+Na"	23.996494
"1461587"	189.113597	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H+Na"	23.996494
"1053496"	126.41149	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2H+Na"	25.00377
"1257361"	387.264186	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+CH3OH+H"	33.033486
"382869"	747.424558	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+K"	38.963158
"742772"	1101.655258	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+K"	38.963158
"1549198"	393.193858	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+K"	38.963158
"308561"	374.215917	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+H+K"	39.970434
"698797"	551.331267	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+H+K"	39.970434
"1450429"	197.100567	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H+K"	39.970434
"248876"	750.495226	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+ACN+H"	42.033826
"1221587"	396.264526	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+ACN+H"	42.033826
"1202189"	198.635901	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+ACN+2H"	43.041102
"193236"	753.43256	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+2Na-H"	44.97116
"638996"	1107.66326	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+2Na-H"	44.97116
"1137034"	399.20186	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2Na-H"	44.97116
"179233"	377.219918	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+2Na"	45.978436
"615516"	554.335268	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+2Na"	45.978436
"1120479"	200.104568	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2Na"	45.978436
"1404732"	133.738804	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H+2Na"	46.985712
"1442322"	401.243446	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H+HCOOH"	47.012746
"234205"	382.25294	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+3H2O+2H"	56.04448
"1520079"	415.29549	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+IsoProp+H"	61.06479
"415388"	385.206888	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+Na+K"	61.952376
"778574"	562.322238	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+Na+K"	61.952376
"1670530"	208.091538	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Na+K"	61.952376
"259240"	772.477168	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+ACN+Na"	64.015768
"1229763"	418.246468	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+ACN+Na"	64.015768
"1720835"	418.269993	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+NH4+HCOOH"	64.039293
"1185098"	141.066118	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+3Na"	68.967654
"1657178"	423.225388	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Na+HCOOH"	68.994688
"167319"	785.38044	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+2K-H"	76.91904
"607976"	1139.61114	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+2K-H"	76.91904
"1094676"	431.14974	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2K-H"	76.91904
"155502"	393.193858	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"2M+2K"	77.926316
"585584"	570.309208	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"3M+2K"	77.926316
"1074469"	216.078508	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2K"	77.926316
"1106588"	433.164292	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2K+H"	78.933592
"1345159"	433.251907	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+DMSO+H"	79.021207
"1018060"	437.291076	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2ACN+H"	83.060376
"1537277"	438.284708	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+IsoProp+Na+H"	84.054008
"999351"	219.149176	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+2ACN+2H"	84.067652
"1588385"	439.199328	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+K+HCOOH"	84.968628
"1417334"	469.230838	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+H+CF3COOH"	115.000138
"1149081"	239.662451	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+3ACN+2H"	125.094202
"1703738"	486.257385	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+NH4+CF3COOH"	132.026685
"1639390"	491.21278	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+Na+CF3COOH"	136.98208
"1579415"	507.18672	"C09042"	"Aspidospermine"	"C22H30N2O2"	"354.2307"	"M+K+CF3COOH"	152.95602
"809782"	494.3409	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M"	0
"975661"	475.32251	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-H2O-H"	-19.01839
"69369"	328.553324	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M-3H"	-3.021828
"510023"	493.333624	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M-3H"	-3.021828
"894629"	163.773024	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-3H"	-3.021828
"9679"	493.333624	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M-2H"	-2.014552
"443774"	740.504074	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M-2H"	-2.014552
"822667"	246.163174	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-2H"	-2.014552
"82661"	987.674524	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M-H"	-1.007276
"523314"	1482.015424	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M-H"	-1.007276
"898931"	493.333624	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-H"	-1.007276
"51116"	1004.701071	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M-2H+NH4"	16.019271
"490678"	1499.041971	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M-2H+NH4"	16.019271
"865686"	510.360171	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-2H+NH4"	16.019271
"37477"	1009.656466	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M-2H+Na"	20.974666
"480322"	1503.997366	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M-2H+Na"	20.974666
"854844"	515.315566	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-2H+Na"	20.974666
"1625469"	515.315566	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Na-2H"	20.974666
"95074"	511.321963	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M-H+Cl"	33.962126
"535367"	758.492413	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M-H+Cl"	33.962126
"938360"	264.151513	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-H+Cl"	33.962126
"281659"	1023.651202	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+Cl"	34.969402
"670434"	1517.992102	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+Cl"	34.969402
"1285026"	529.310302	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Cl"	34.969402
"19931"	1025.630406	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M-2H+K"	36.948606
"463867"	1519.971306	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M-2H+K"	36.948606
"838385"	531.289506	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-2H+K"	36.948606
"1559686"	531.289506	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+K-2H"	36.948606
"945383"	539.339094	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-H+HCOOH"	44.998194
"364691"	1033.680001	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+HCOOH-H"	44.998201
"351856"	1047.695651	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+Hac-H"	59.013851
"1495587"	553.354751	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Hac-H"	59.013851
"960575"	561.321051	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-H+NaCOOH"	66.980151
"112765"	529.310302	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+2Cl"	69.938804
"550251"	776.480752	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+2Cl"	69.938804
"1022579"	282.139852	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2Cl"	69.938804
"1245074"	573.259785	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Br"	78.918885
"1312989"	575.315772	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Cl+HCOOH"	80.974872
"1326113"	597.297729	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Cl+NaCOOH"	102.956829
"917170"	607.326486	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M-H+CF3COOH"	112.985586
"1292057"	643.303164	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Cl+CF3COOH"	148.962264
"1368032"	459.328224	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H-2H2O"	-35.012676
"1385166"	477.3382	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H-H2O"	-17.0027
"282947"	989.689076	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+H"	1.007276
"675773"	1484.029976	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+H"	1.007276
"1355086"	495.348176	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H"	1.007276
"135265"	495.348176	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+2H"	2.014552
"574827"	742.518626	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+2H"	2.014552
"1043628"	248.177726	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2H"	2.014552
"211530"	330.567876	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+3H"	3.021828
"652181"	495.348176	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+3H"	3.021828
"1171401"	165.787576	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+3H"	3.021828
"432488"	1006.715623	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+NH4"	18.033823
"792390"	1501.056523	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+NH4"	18.033823
"1689811"	512.374723	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+NH4"	18.033823
"339183"	503.8614495	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+H+NH4"	19.041099
"731604"	751.0318995	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+H+NH4"	19.041099
"1486517"	256.6909995	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H+NH4"	19.041099
"401917"	1011.671018	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+Na"	22.989218
"762913"	1506.011918	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+Na"	22.989218
"1605542"	517.330118	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Na"	22.989218
"314289"	506.339147	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+H+Na"	23.996494
"707277"	753.509597	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+H+Na"	23.996494
"1461409"	259.168697	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H+Na"	23.996494
"1053606"	173.11489	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2H+Na"	25.00377
"1257096"	527.374386	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+CH3OH+H"	33.033486
"378847"	1027.644958	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+K"	38.963158
"741789"	1521.985858	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+K"	38.963158
"1542748"	533.304058	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+K"	38.963158
"307578"	514.326117	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+H+K"	39.970434
"698907"	761.496567	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+H+K"	39.970434
"1450538"	267.155667	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H+K"	39.970434
"244610"	1030.715626	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+ACN+H"	42.033826
"1220603"	536.374726	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+ACN+H"	42.033826
"1202299"	268.691001	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+ACN+2H"	43.041102
"195169"	1033.65296	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+2Na-H"	44.97116
"636919"	1527.99386	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+2Na-H"	44.97116
"1137144"	539.31206	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2Na-H"	44.97116
"180435"	517.330118	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+2Na"	45.978436
"617812"	764.500568	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+2Na"	45.978436
"1121319"	270.159668	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2Na"	45.978436
"1404843"	180.442204	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H+2Na"	46.985712
"1435866"	541.353646	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H+HCOOH"	47.012746
"227749"	522.36314	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+3H2O+2H"	56.04448
"1519461"	555.40569	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+IsoProp+H"	61.06479
"415498"	525.317088	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+Na+K"	61.952376
"775404"	772.487538	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+Na+K"	61.952376
"1670641"	278.146638	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Na+K"	61.952376
"257163"	1052.697568	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+ACN+Na"	64.015768
"1228414"	558.356668	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+ACN+Na"	64.015768
"1718759"	558.380193	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+NH4+HCOOH"	64.039293
"1184115"	187.769518	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+3Na"	68.967654
"1652912"	563.335588	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Na+HCOOH"	68.994688
"165243"	1065.60084	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+2K-H"	76.91904
"606991"	1559.94174	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+2K-H"	76.91904
"1094422"	571.25994	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2K-H"	76.91904
"152696"	533.304058	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"2M+2K"	77.926316
"585692"	780.474508	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"3M+2K"	77.926316
"1072393"	286.133608	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2K"	77.926316
"1105605"	573.274492	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2K+H"	78.933592
"1347455"	573.362107	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+DMSO+H"	79.021207
"1019264"	577.401276	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2ACN+H"	83.060376
"1536294"	578.394908	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+IsoProp+Na+H"	84.054008
"1000554"	289.204276	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+2ACN+2H"	84.067652
"1588859"	579.309528	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+K+HCOOH"	84.968628
"1419631"	609.341038	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+H+CF3COOH"	115.000138
"1148827"	309.717551	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+3ACN+2H"	125.094202
"1703848"	626.367585	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+NH4+CF3COOH"	132.026685
"1641687"	631.32298	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+Na+CF3COOH"	136.98208
"1579525"	647.29692	"C09043"	"Auricularine"	"C33H42N4"	"494.3409"	"M+K+CF3COOH"	152.95602
"809894"	286.0841	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M"	0
"976861"	267.06571	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"63765"	189.715457333333	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"503489"	285.076824	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"881376"	94.3540906666667	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"230"	285.076824	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"440602"	428.118874	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"820228"	142.034774	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"80947"	571.160924	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"521236"	857.245024	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"902322"	285.076824	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"54511"	588.187471	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"490425"	874.271571	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"875154"	302.103371	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"36858"	593.142866	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"482620"	879.226966	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"858234"	307.058766	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1627766"	307.058766	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"95913"	303.065163	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"536206"	446.107213	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"936284"	160.023113	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"281891"	607.137602	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"669451"	893.221702	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1285136"	321.053502	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"27695"	609.116806	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"463977"	895.200906	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"840683"	323.032706	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1560890"	323.032706	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"947679"	331.082294	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"366990"	617.166401	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"351966"	631.182051	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1497520"	345.097951	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"963968"	353.064251	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"116155"	321.053502	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"550610"	464.095552	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1022082"	178.011452	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1244092"	365.002985	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1307633"	367.058972	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1320148"	389.040929	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"913637"	399.069686	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1288889"	435.046364	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1367212"	251.071424	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1382845"	269.0814	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"287155"	573.175476	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"677753"	859.259576	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1360300"	287.091376	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"132098"	287.091376	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"572750"	430.133426	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1042645"	144.049326	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"209453"	191.730009333333	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"647920"	287.091376	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1164954"	96.3686426666667	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"427858"	590.202023	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"795780"	876.286123	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1689923"	304.117923	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"339295"	295.6046495	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"731716"	438.6466995	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1485535"	152.5625995	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"400935"	595.157418	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"761930"	881.241518	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1606747"	309.073318	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"314965"	298.082347	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"710304"	441.124397	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1463023"	155.040297	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1054567"	103.695956666667	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1258678"	319.117586	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"377500"	611.131358	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"741899"	897.215458	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1546139"	325.047258	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"305502"	306.069317	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"701205"	449.111367	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1459402"	163.027267	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"248004"	614.202026	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1218527"	328.117926	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1199129"	164.562601	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"196374"	617.13936	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"639216"	903.22346	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1137254"	331.05526	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"182733"	309.073318	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"619013"	452.115368	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1121430"	166.031268	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1403861"	111.023270666667	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1438165"	333.096846	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"228953"	314.10634	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1515922"	347.14889	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"415610"	317.060288	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"775515"	460.102338	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1670753"	174.018238	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"257273"	636.183968	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1230350"	350.099868	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1717049"	350.123393	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1181310"	118.350584666667	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1652296"	355.078788	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"164259"	649.08724	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"600539"	935.17134	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1090521"	363.00314	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"151712"	325.047258	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"593460"	468.089308	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1072504"	182.005208	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1104621"	365.017692	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1346472"	365.105307	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1007343"	369.144476	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1532029"	370.138108	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"991916"	185.075876	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1588603"	371.052728	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1417554"	401.084238	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1161698"	205.589151	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1707239"	418.110785	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1648358"	423.06618	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1579635"	439.04012	"C09044"	"Quinquangulin"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"803439"	368.1736	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M"	0
"979162"	349.15521	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"70683"	244.441790666667	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"504776"	367.166324	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"880753"	121.717257333333	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"423"	367.166324	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"441318"	551.253124	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"818391"	183.079524	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"80328"	735.339924	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"520614"	1103.513524	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"902432"	367.166324	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"54621"	752.366471	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"490535"	1120.540071	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"875264"	384.192871	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"37697"	757.321866	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"475071"	1125.495466	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"855426"	389.148266	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1628969"	389.148266	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"100035"	385.154663	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"536316"	569.241463	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"938582"	201.067863	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"281030"	771.316602	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"673451"	1139.490202	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1283059"	403.143002	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"20151"	773.295806	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"458618"	1141.469406	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"841886"	405.122206	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1561002"	405.122206	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"947789"	413.171794	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"364913"	781.345401	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"349890"	795.361051	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1495077"	427.187451	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"961160"	435.153751	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"114079"	403.143002	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"551451"	587.229802	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1023895"	219.056202	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1244203"	447.092485	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1305558"	449.148472	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1323056"	471.130429	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"920675"	481.159186	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1290095"	517.135864	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1367887"	333.160924	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1383119"	351.1709	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"284349"	737.354476	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"678594"	1105.528076	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1360410"	369.180876	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"127468"	369.180876	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"573954"	553.267676	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1043848"	185.094076	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"211749"	246.456342666667	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"646449"	369.180876	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1166157"	123.731809333333	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"430521"	754.381023	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"789328"	1122.554623	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1691127"	386.207423	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"341592"	377.6941495	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"735106"	561.7809495	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1485643"	193.6073495	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"403231"	759.336418	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"763135"	1127.510018	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1609044"	391.162818	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"315076"	380.171847	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"707619"	564.258647	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1462044"	196.085047	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1054922"	131.059123333333	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1259151"	401.207086	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"377611"	775.310358	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"739093"	1143.483958	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1542969"	407.136758	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"309624"	388.158817	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"699128"	572.245617	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1456231"	204.072017	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"247750"	778.381026	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1217544"	410.207426	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1202520"	205.607351	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"195392"	781.31836	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"638233"	1149.49196	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1137367"	413.14476	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"179563"	391.162818	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"618032"	575.249618	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1124820"	207.076018	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1405064"	138.386437333333	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1436087"	415.186346	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"231250"	396.19584	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1517125"	429.23839	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"414627"	399.149788	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"771615"	583.236588	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1674874"	215.062988	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"258480"	800.362968	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1233375"	432.189368	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1714608"	432.212893	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1180321"	145.713751333333	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1652042"	437.168288	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"158901"	813.26624	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"605021"	1181.43984	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1090630"	445.09264	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"152915"	407.136758	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"591382"	591.223558	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1082457"	223.049958	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1112386"	447.107192	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1350840"	447.194807	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1020581"	451.233976	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1535424"	452.227608	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"993119"	226.120626	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1588106"	453.142228	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1415833"	483.173738	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1159985"	246.633901	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1707349"	500.200285	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1648104"	505.15568	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1579745"	521.12962	"C09045"	"Baloxine"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"802455"	408.1685	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M"	0
"979272"	389.15011	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-H2O-H"	-19.01839
"71886"	271.105057333333	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M-3H"	-3.021828
"511446"	407.161224	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M-3H"	-3.021828
"882688"	135.048890666667	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-3H"	-3.021828
"2355"	407.161224	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M-2H"	-2.014552
"443370"	611.245474	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M-2H"	-2.014552
"818986"	203.076974	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-2H"	-2.014552
"80801"	815.329724	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M-H"	-1.007276
"521819"	1223.498224	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M-H"	-1.007276
"899990"	407.161224	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-H"	-1.007276
"54731"	832.356271	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M-2H+NH4"	16.019271
"490645"	1240.524771	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M-2H+NH4"	16.019271
"875374"	424.187771	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-2H+NH4"	16.019271
"37807"	837.311666	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M-2H+Na"	20.974666
"477733"	1245.480166	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M-2H+Na"	20.974666
"855172"	429.143166	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-2H+Na"	20.974666
"1629079"	429.143166	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Na-2H"	20.974666
"97592"	425.149563	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M-H+Cl"	33.962126
"536426"	629.233813	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M-H+Cl"	33.962126
"937597"	221.065313	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-H+Cl"	33.962126
"281868"	851.306402	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+Cl"	34.969402
"672588"	1259.474902	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+Cl"	34.969402
"1283898"	443.137902	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Cl"	34.969402
"24636"	853.285606	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M-2H+K"	36.948606
"462009"	1261.454106	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M-2H+K"	36.948606
"841997"	445.117106	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-2H+K"	36.948606
"1561111"	445.117106	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+K-2H"	36.948606
"947899"	453.166694	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-H+HCOOH"	44.998194
"370490"	861.335201	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+HCOOH-H"	44.998201
"352552"	875.350851	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+Hac-H"	59.013851
"1496281"	467.182351	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Hac-H"	59.013851
"963822"	475.148651	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-H+NaCOOH"	66.980151
"115282"	443.137902	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+2Cl"	69.938804
"555937"	647.222152	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+2Cl"	69.938804
"1024007"	239.053652	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2Cl"	69.938804
"1244678"	487.087385	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Br"	78.918885
"1305304"	489.143372	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Cl+HCOOH"	80.974872
"1325353"	511.125329	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Cl+NaCOOH"	102.956829
"920785"	521.154086	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M-H+CF3COOH"	112.985586
"1289476"	557.130764	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Cl+CF3COOH"	148.962264
"1367470"	373.155824	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H-2H2O"	-35.012676
"1384040"	391.1658	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H-H2O"	-17.0027
"284458"	817.344276	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+H"	1.007276
"679068"	1225.512776	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+H"	1.007276
"1357240"	409.175776	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H"	1.007276
"128308"	409.175776	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+2H"	2.014552
"572971"	613.260026	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+2H"	2.014552
"1046145"	205.091526	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2H"	2.014552
"210766"	273.119609333333	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+3H"	3.021828
"646681"	409.175776	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+3H"	3.021828
"1167360"	137.063442666667	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+3H"	3.021828
"427716"	834.370823	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+NH4"	18.033823
"788347"	1242.539323	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+NH4"	18.033823
"1692331"	426.202323	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+NH4"	18.033823
"339514"	417.6890495	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+H+NH4"	19.041099
"731936"	621.7732995	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+H+NH4"	19.041099
"1484662"	213.6047995	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H+NH4"	19.041099
"402248"	839.326218	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+Na"	22.989218
"764338"	1247.494718	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+Na"	22.989218
"1609155"	431.157718	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Na"	22.989218
"315915"	420.166747	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+H+Na"	23.996494
"708213"	624.250997	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+H+Na"	23.996494
"1462032"	216.082497	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H+Na"	23.996494
"1053333"	144.390756666667	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2H+Na"	25.00377
"1259264"	441.201986	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+CH3OH+H"	33.033486
"377477"	855.300158	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+K"	38.963158
"740298"	1263.468658	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+K"	38.963158
"1544172"	447.131658	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+K"	38.963158
"309005"	428.153717	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+H+K"	39.970434
"699240"	632.237967	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+H+K"	39.970434
"1456342"	224.069467	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H+K"	39.970434
"241663"	858.370826	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+ACN+H"	42.033826
"1215831"	450.202326	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+ACN+H"	42.033826
"1197527"	225.604801	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+ACN+2H"	43.041102
"191128"	861.30816	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+2Na-H"	44.97116
"635062"	1269.47666	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+2Na-H"	44.97116
"1136383"	453.13966	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2Na-H"	44.97116
"179673"	431.157718	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+2Na"	45.978436
"623610"	635.241968	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+2Na"	45.978436
"1127119"	227.073468	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2Na"	45.978436
"1410641"	151.718070666667	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H+2Na"	46.985712
"1441664"	455.181246	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H+HCOOH"	47.012746
"233547"	436.19074	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+3H2O+2H"	56.04448
"1519423"	469.23329	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+IsoProp+H"	61.06479
"419112"	439.144688	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+Na+K"	61.952376
"776828"	643.228938	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+Na+K"	61.952376
"1675348"	235.060438	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Na+K"	61.952376
"259683"	880.352768	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+ACN+Na"	64.015768
"1232392"	472.184268	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+ACN+Na"	64.015768
"1715813"	472.207793	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+NH4+HCOOH"	64.039293
"1179341"	159.045384666667	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+3Na"	68.967654
"1651787"	477.163188	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Na+HCOOH"	68.994688
"159011"	893.25604	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+2K-H"	76.91904
"602944"	1301.42454	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+2K-H"	76.91904
"1089647"	485.08754	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2K-H"	76.91904
"154118"	447.131658	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"2M+2K"	77.926316
"590398"	651.215908	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"3M+2K"	77.926316
"1081472"	243.047408	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2K"	77.926316
"1110308"	487.102092	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2K+H"	78.933592
"1350708"	487.189707	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+DMSO+H"	79.021207
"1020695"	491.228876	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2ACN+H"	83.060376
"1537235"	492.222508	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+IsoProp+Na+H"	84.054008
"996510"	246.118076	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+2ACN+2H"	84.067652
"1588096"	493.137128	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+K+HCOOH"	84.968628
"1415579"	523.168638	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+H+CF3COOH"	115.000138
"1160095"	266.631351	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+3ACN+2H"	125.094202
"1704179"	540.195185	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+NH4+CF3COOH"	132.026685
"1648214"	545.15058	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+Na+CF3COOH"	136.98208
"1579855"	561.12452	"C09046"	"Bleekerine"	"C23H24N2O5"	"408.1685"	"M+K+CF3COOH"	152.95602
"808032"	272.0685	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M"	0
"980475"	253.05011	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"76369"	180.371724	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"511556"	271.061224	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"883892"	89.682224	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"5746"	271.061224	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"443846"	407.095474	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"820189"	135.026974	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"83463"	543.129724	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"522658"	815.198224	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"897909"	271.061224	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"48763"	560.156271	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"489051"	832.224771	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"875484"	288.087771	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"34026"	565.111666	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"477843"	837.180166	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"861844"	293.043166	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1633564"	293.043166	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"97338"	289.049563	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"537629"	425.083813	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"930414"	153.015313	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"276266"	579.106402	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"675090"	851.174902	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1285831"	307.037902	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"30577"	581.085606	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"463218"	853.154106	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"846480"	309.017106	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1565593"	309.017106	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"949103"	317.066694	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"366588"	589.135201	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"351203"	603.150851	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1497120"	331.082351	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"967580"	339.048651	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"118674"	307.037902	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"558234"	443.072152	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1025212"	171.003652	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1245519"	350.987385	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1312338"	353.043372	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1328744"	375.025329	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"920896"	385.054086	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1293229"	421.030764	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1367746"	237.055824	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1385245"	255.0658	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"288580"	545.144276	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"682094"	817.212776	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1362820"	273.075776	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"128056"	273.075776	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"568342"	409.110026	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1041881"	137.041526	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"208688"	182.386276	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"647885"	273.075776	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1169657"	91.696776	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"428553"	562.170823	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"791734"	834.239323	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1693168"	290.102323	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"340717"	281.5890495	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"734232"	417.6232995	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1486963"	145.5547995	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"403454"	567.126218	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"766635"	839.194718	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1612546"	295.057718	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"317118"	284.066747	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"711728"	420.100997	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1465547"	148.032497	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1054417"	99.02409	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1257432"	305.101986	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"378682"	583.100158	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"741501"	855.168658	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1543555"	311.031658	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"302555"	292.053717	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"700444"	428.087967	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1454265"	156.019467	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"242867"	586.170826	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1217034"	314.102326	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1197636"	157.554801	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"192329"	589.10816	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"633350"	861.17666	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1136493"	317.03966	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"179783"	295.057718	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"623720"	431.091968	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1129414"	159.023468	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1413627"	106.351404	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1442869"	319.081246	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"233657"	300.09074	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1522449"	333.13329	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"419223"	303.044688	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"780222"	439.078938	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1674367"	167.010438	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"260888"	608.152768	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1231409"	336.084268	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1717015"	336.107793	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1180911"	113.678718	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1654449"	341.063188	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"163496"	621.05604	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"601234"	893.12454	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1091942"	348.98754	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"149854"	311.031658	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"591603"	447.065908	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1078301"	174.997408	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1111511"	351.002092	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1350577"	351.089707	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1021175"	355.128876	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1539411"	356.122508	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"995527"	178.068076	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1591125"	357.037128	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1417148"	387.068638	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1149631"	198.581351	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1698821"	404.095185	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1647960"	409.05058	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1579965"	425.02452	"C09047"	"Rubrofusarin"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"807049"	324.1362	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M"	0
"980584"	305.11781	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-H2O-H"	-19.01839
"71012"	215.083524	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M-3H"	-3.021828
"512760"	323.128924	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M-3H"	-3.021828
"882908"	107.038124	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-3H"	-3.021828
"2576"	323.128924	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M-2H"	-2.014552
"440393"	485.197024	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M-2H"	-2.014552
"818114"	161.060824	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-2H"	-2.014552
"83209"	647.265124	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M-H"	-1.007276
"520946"	971.401324	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M-H"	-1.007276
"900569"	323.128924	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-H"	-1.007276
"50572"	664.291671	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M-2H+NH4"	16.019271
"488310"	988.427871	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M-2H+NH4"	16.019271
"871221"	340.155471	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-2H+NH4"	16.019271
"32922"	669.247066	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M-2H+Na"	20.974666
"475767"	993.383266	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M-2H+Na"	20.974666
"861954"	345.110866	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-2H+Na"	20.974666
"1633310"	345.110866	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Na-2H"	20.974666
"105465"	341.117263	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M-H+Cl"	33.962126
"539922"	503.185363	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M-H+Cl"	33.962126
"935625"	179.049163	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-H+Cl"	33.962126
"270175"	683.241802	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+Cl"	34.969402
"665515"	1007.378002	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+Cl"	34.969402
"1279013"	359.105602	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Cl"	34.969402
"27038"	685.221006	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M-2H+K"	36.948606
"460042"	1009.357206	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M-2H+K"	36.948606
"838206"	361.084806	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-2H+K"	36.948606
"1559141"	361.084806	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+K-2H"	36.948606
"946659"	369.134394	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-H+HCOOH"	44.998194
"367428"	693.270601	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+HCOOH-H"	44.998201
"348394"	707.286251	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+Hac-H"	59.013851
"1495404"	383.150051	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Hac-H"	59.013851
"964042"	391.116351	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-H+NaCOOH"	66.980151
"116230"	359.105602	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+2Cl"	69.938804
"550437"	521.173702	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+2Cl"	69.938804
"1026048"	197.037502	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2Cl"	69.938804
"1245628"	403.055085	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Br"	78.918885
"1306251"	405.111072	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Cl+HCOOH"	80.974872
"1325937"	427.093029	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Cl+NaCOOH"	102.956829
"918454"	437.121786	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M-H+CF3COOH"	112.985586
"1290423"	473.098464	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Cl+CF3COOH"	148.962264
"1371139"	289.123524	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H-2H2O"	-35.012676
"1384626"	307.1335	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H-H2O"	-17.0027
"293064"	649.279676	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+H"	1.007276
"683297"	973.415876	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+H"	1.007276
"1360378"	325.143476	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H"	1.007276
"131446"	325.143476	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+2H"	2.014552
"569911"	487.211576	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+2H"	2.014552
"1044178"	163.075376	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2H"	2.014552
"212079"	217.098076	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+3H"	3.021828
"648725"	325.143476	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+3H"	3.021828
"1167581"	109.052676	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+3H"	3.021828
"427571"	666.306223	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+NH4"	18.033823
"791114"	990.442423	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+NH4"	18.033823
"1692548"	342.170023	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+NH4"	18.033823
"338639"	333.6567495	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+H+NH4"	19.041099
"734342"	495.7248495	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+H+NH4"	19.041099
"1483793"	171.5886495	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H+NH4"	19.041099
"400284"	671.261618	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+Na"	22.989218
"763466"	995.397818	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+Na"	22.989218
"1611563"	347.125418	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Na"	22.989218
"314324"	336.134447	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+H+Na"	23.996494
"707947"	498.202547	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+H+Na"	23.996494
"1461436"	174.066347	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H+Na"	23.996494
"1053429"	116.37999	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2H+Na"	25.00377
"1258755"	357.169686	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+CH3OH+H"	33.033486
"378060"	687.235558	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+K"	38.963158
"740517"	1011.371758	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+K"	38.963158
"1539931"	363.099358	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+K"	38.963158
"300841"	344.121417	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+H+K"	39.970434
"697273"	506.189517	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+H+K"	39.970434
"1451093"	182.053317	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H+K"	39.970434
"240790"	690.306226	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+ACN+H"	42.033826
"1217873"	366.170026	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+ACN+H"	42.033826
"1197382"	183.588651	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+ACN+2H"	43.041102
"193169"	693.24356	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+2Na-H"	44.97116
"636375"	1017.37976	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+2Na-H"	44.97116
"1136603"	369.10736	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2Na-H"	44.97116
"179893"	347.125418	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+2Na"	45.978436
"617633"	509.193518	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+2Na"	45.978436
"1130579"	185.057318	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2Na"	45.978436
"1404299"	123.707304	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H+2Na"	46.985712
"1435320"	371.148946	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H+HCOOH"	47.012746
"234862"	352.15844	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+3H2O+2H"	56.04448
"1522559"	385.20099	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+IsoProp+H"	61.06479
"418969"	355.112388	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+Na+K"	61.952376
"778145"	517.180488	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+Na+K"	61.952376
"1674477"	193.044288	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Na+K"	61.952376
"262092"	712.288168	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+ACN+Na"	64.015768
"1234800"	388.151968	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+ACN+Na"	64.015768
"1716030"	388.175493	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+NH4+HCOOH"	64.039293
"1181020"	131.034618	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+3Na"	68.967654
"1656015"	393.130888	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Na+HCOOH"	68.994688
"164700"	725.19144	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+2K-H"	76.91904
"605354"	1049.32764	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+2K-H"	76.91904
"1094238"	401.05524	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2K-H"	76.91904
"152151"	363.099358	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"2M+2K"	77.926316
"596575"	525.167458	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"3M+2K"	77.926316
"1081694"	201.031258	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2K"	77.926316
"1112715"	403.069792	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2K+H"	78.933592
"1350439"	403.157407	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+DMSO+H"	79.021207
"1021248"	407.196576	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2ACN+H"	83.060376
"1539402"	408.190208	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+IsoProp+Na+H"	84.054008
"994544"	204.101926	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+2ACN+2H"	84.067652
"1592328"	409.104828	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+K+HCOOH"	84.968628
"1421268"	439.136338	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+H+CF3COOH"	115.000138
"1148648"	224.615201	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+3ACN+2H"	125.094202
"1698931"	456.162885	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+NH4+CF3COOH"	132.026685
"1648434"	461.11828	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+Na+CF3COOH"	136.98208
"1580075"	477.09222	"C09048"	"Spathelia bischromene;226610-Pentamethyl-2H6H12H-benzo12-b:34-b:56-btripyran-12-one"	"C20H20O4"	"324.1362"	"M+K+CF3COOH"	152.95602
"803879"	230.0579	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M"	0
"980694"	211.03951	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-H2O-H"	-19.01839
"73309"	152.364657333333	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M-3H"	-3.021828
"509590"	229.050624	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M-3H"	-3.021828
"880116"	75.6786906666667	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-3H"	-3.021828
"3780"	229.050624	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M-2H"	-2.014552
"441028"	344.079574	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M-2H"	-2.014552
"820047"	114.021674	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-2H"	-2.014552
"83319"	459.108524	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M-H"	-1.007276
"521056"	689.166424	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M-H"	-1.007276
"900680"	229.050624	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-H"	-1.007276
"49952"	476.135071	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M-2H+NH4"	16.019271
"489512"	706.192971	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M-2H+NH4"	16.019271
"867320"	246.077171	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-2H+NH4"	16.019271
"33151"	481.090466	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M-2H+Na"	20.974666
"479885"	711.148366	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M-2H+Na"	20.974666
"861700"	251.032566	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-2H+Na"	20.974666
"1628317"	251.032566	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Na-2H"	20.974666
"102658"	247.038963	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M-H+Cl"	33.962126
"536751"	362.067913	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M-H+Cl"	33.962126
"934642"	132.010013	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-H+Cl"	33.962126
"272109"	495.085202	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+Cl"	34.969402
"668905"	725.143102	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+Cl"	34.969402
"1280216"	265.027302	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Cl"	34.969402
"26055"	497.064406	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M-2H+K"	36.948606
"464526"	727.122306	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M-2H+K"	36.948606
"837586"	267.006506	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-2H+K"	36.948606
"1563627"	267.006506	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+K-2H"	36.948606
"947136"	275.056094	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-H+HCOOH"	44.998194
"363527"	505.114001	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+HCOOH-H"	44.998201
"349236"	519.129651	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+Hac-H"	59.013851
"1496974"	289.071751	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Hac-H"	59.013851
"964518"	297.038051	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-H+NaCOOH"	66.980151
"116706"	265.027302	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+2Cl"	69.938804
"554076"	380.056252	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+2Cl"	69.938804
"1028345"	149.998352	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2Cl"	69.938804
"1242822"	308.976785	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Br"	78.918885
"1308185"	311.032772	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Cl+HCOOH"	80.974872
"1328964"	333.014729	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Cl+NaCOOH"	102.956829
"915285"	343.043486	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M-H+CF3COOH"	112.985586
"1289806"	379.020164	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Cl+CF3COOH"	148.962264
"1371610"	195.045224	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H-2H2O"	-35.012676
"1384736"	213.0552	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H-H2O"	-17.0027
"284423"	461.123076	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+H"	1.007276
"676072"	691.180976	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+H"	1.007276
"1357570"	231.065176	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H"	1.007276
"135203"	231.065176	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+2H"	2.014552
"570384"	346.094126	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+2H"	2.014552
"1042464"	116.036226	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2H"	2.014552
"210002"	154.379209333333	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+3H"	3.021828
"649562"	231.065176	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+3H"	3.021828
"1168784"	77.6932426666667	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+3H"	3.021828
"425495"	478.149623	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+NH4"	18.033823
"789767"	708.207523	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+NH4"	18.033823
"1692659"	248.091723	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+NH4"	18.033823
"337656"	239.5784495	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+H+NH4"	19.041099
"732265"	354.6073995	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+H+NH4"	19.041099
"1486088"	124.5494995	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H+NH4"	19.041099
"399300"	483.105018	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+Na"	22.989218
"765762"	713.162918	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+Na"	22.989218
"1612765"	253.047118	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Na"	22.989218
"314414"	242.056147	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+H+Na"	23.996494
"707328"	357.085097	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+H+Na"	23.996494
"1462487"	127.027197	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H+Na"	23.996494
"1053543"	85.0205566666667	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2H+Na"	25.00377
"1257651"	263.091386	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+CH3OH+H"	33.033486
"378171"	499.078958	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+K"	38.963158
"741355"	729.136858	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+K"	38.963158
"1542681"	269.021058	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+K"	38.963158
"303868"	250.043117	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+H+K"	39.970434
"699571"	365.072067	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+H+K"	39.970434
"1451204"	135.014167	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H+K"	39.970434
"241264"	502.149626	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+ACN+H"	42.033826
"1216160"	272.091726	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+ACN+H"	42.033826
"1197857"	136.549501	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+ACN+2H"	43.041102
"191092"	505.08696	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+2Na-H"	44.97116
"635391"	735.14486	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+2Na-H"	44.97116
"1136348"	275.02906	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2Na-H"	44.97116
"178180"	253.047118	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+2Na"	45.978436
"617743"	368.076068	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+2Na"	45.978436
"1128179"	138.018168	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2Na"	45.978436
"1404409"	92.3478706666667	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H+2Na"	46.985712
"1435430"	277.070646	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H+HCOOH"	47.012746
"234245"	258.08014	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+3H2O+2H"	56.04448
"1522671"	291.12269	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+IsoProp+H"	61.06479
"417621"	261.034088	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+Na+K"	61.952376
"778982"	376.063038	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+Na+K"	61.952376
"1672399"	146.005138	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Na+K"	61.952376
"264388"	524.131568	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+ACN+Na"	64.015768
"1236004"	294.073668	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+ACN+Na"	64.015768
"1717234"	294.097193	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+NH4+HCOOH"	64.039293
"1182589"	99.6751846666667	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+3Na"	68.967654
"1655033"	299.052588	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Na+HCOOH"	68.994688
"162625"	537.03484	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+2K-H"	76.91904
"603280"	767.09274	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+2K-H"	76.91904
"1093256"	306.97694	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2K-H"	76.91904
"153357"	269.021058	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"2M+2K"	77.926316
"596892"	384.050008	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"3M+2K"	77.926316
"1082776"	153.992108	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2K"	77.926316
"1114649"	308.991492	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2K+H"	78.933592
"1350670"	309.079107	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+DMSO+H"	79.021207
"1021275"	313.118276	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2ACN+H"	83.060376
"1539390"	314.111908	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+IsoProp+Na+H"	84.054008
"994654"	157.062776	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+2ACN+2H"	84.067652
"1592438"	315.026528	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+K+HCOOH"	84.968628
"1421378"	345.058038	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+H+CF3COOH"	115.000138
"1153863"	177.576051	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+3ACN+2H"	125.094202
"1699041"	362.084585	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+NH4+CF3COOH"	132.026685
"1645628"	367.03998	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+Na+CF3COOH"	136.98208
"1571921"	383.01392	"C09049"	"Visnagin"	"C13H10O4"	"230.0579"	"M+K+CF3COOH"	152.95602
"801608"	564.31	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M"	0
"980804"	545.29161	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-H2O-H"	-19.01839
"75606"	375.199390666667	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M-3H"	-3.021828
"510793"	563.302724	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M-3H"	-3.021828
"884221"	187.096057333333	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-3H"	-3.021828
"3890"	563.302724	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M-2H"	-2.014552
"440897"	845.457724	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M-2H"	-2.014552
"821250"	281.147724	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-2H"	-2.014552
"80147"	1127.612724	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M-H"	-1.007276
"520312"	1691.922724	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M-H"	-1.007276
"897995"	563.302724	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-H"	-1.007276
"48968"	1144.639271	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M-2H+NH4"	16.019271
"489986"	1708.949271	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M-2H+NH4"	16.019271
"869617"	580.329271	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-2H+NH4"	16.019271
"33505"	1149.594666	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M-2H+Na"	20.974666
"482914"	1713.904666	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M-2H+Na"	20.974666
"853426"	585.284666	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-2H+Na"	20.974666
"1625146"	585.284666	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Na-2H"	20.974666
"102768"	581.291063	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M-H+Cl"	33.962126
"537955"	863.446063	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M-H+Cl"	33.962126
"936575"	299.136063	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-H+Cl"	33.962126
"272219"	1163.589402	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+Cl"	34.969402
"666829"	1727.899402	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+Cl"	34.969402
"1277046"	599.279402	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Cl"	34.969402
"25072"	1165.568606	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M-2H+K"	36.948606
"461357"	1729.878606	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M-2H+K"	36.948606
"838063"	601.258606	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-2H+K"	36.948606
"1555613"	601.258606	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+K-2H"	36.948606
"943599"	609.308194	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-H+HCOOH"	44.998194
"362543"	1173.618201	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+HCOOH-H"	44.998201
"346426"	1187.633851	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+Hac-H"	59.013851
"1495263"	623.323851	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Hac-H"	59.013851
"960616"	631.290151	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-H+NaCOOH"	66.980151
"116816"	599.279402	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+2Cl"	69.938804
"557469"	881.434402	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+2Cl"	69.938804
"1026269"	317.124402	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2Cl"	69.938804
"1244392"	643.228885	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Br"	78.918885
"1309755"	645.284872	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Cl+HCOOH"	80.974872
"1326158"	667.266829	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Cl+NaCOOH"	102.956829
"918309"	677.295586	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M-H+CF3COOH"	112.985586
"1290281"	713.272264	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Cl+CF3COOH"	148.962264
"1367261"	529.297324	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H-2H2O"	-35.012676
"1383874"	547.3073	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H-H2O"	-17.0027
"285992"	1129.627276	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+H"	1.007276
"684613"	1693.937276	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+H"	1.007276
"1355495"	565.317276	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H"	1.007276
"136038"	565.317276	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+2H"	2.014552
"571227"	847.472276	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+2H"	2.014552
"1043307"	283.162276	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2H"	2.014552
"211207"	377.213942666667	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+3H"	3.021828
"649672"	565.317276	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+3H"	3.021828
"1165973"	189.110609333333	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+3H"	3.021828
"432163"	1146.653823	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+NH4"	18.033823
"796439"	1710.963823	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+NH4"	18.033823
"1694956"	582.343823	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+NH4"	18.033823
"337768"	573.8305495	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+H+NH4"	19.041099
"726908"	855.9855495	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+H+NH4"	19.041099
"1484011"	291.6755495	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H+NH4"	19.041099
"400505"	1151.609218	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+Na"	22.989218
"763685"	1715.919218	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+Na"	22.989218
"1611781"	587.299218	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Na"	22.989218
"314325"	576.308247	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+H+Na"	23.996494
"707558"	858.463247	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+H+Na"	23.996494
"1469158"	294.153247	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H+Na"	23.996494
"1054746"	196.437923333333	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2H+Na"	25.00377
"1257640"	597.343486	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+CH3OH+H"	33.033486
"379374"	1167.583158	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+K"	38.963158
"742194"	1731.893158	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+K"	38.963158
"1545342"	603.273158	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+K"	38.963158
"309812"	584.295217	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+H+K"	39.970434
"703327"	866.450217	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+H+K"	39.970434
"1453501"	302.140217	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H+K"	39.970434
"246477"	1170.653826	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+ACN+H"	42.033826
"1216270"	606.343826	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+ACN+H"	42.033826
"1198331"	303.675551	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+ACN+2H"	43.041102
"192296"	1173.59116	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+2Na-H"	44.97116
"634773"	1737.90116	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+2Na-H"	44.97116
"1137551"	609.28116	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2Na-H"	44.97116
"178654"	587.299218	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+2Na"	45.978436
"616757"	869.454218	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+2Na"	45.978436
"1120991"	305.144218	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2Na"	45.978436
"1404518"	203.765237333333	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H+2Na"	46.985712
"1433354"	611.322746	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H+HCOOH"	47.012746
"233262"	592.33224	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+3H2O+2H"	56.04448
"1520595"	625.37479	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+IsoProp+H"	61.06479
"418097"	595.286188	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+Na+K"	61.952376
"781281"	877.441188	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+Na+K"	61.952376
"1677612"	313.131188	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Na+K"	61.952376
"262311"	1192.635768	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+ACN+Na"	64.015768
"1236114"	628.325768	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+ACN+Na"	64.015768
"1720627"	628.349293	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+NH4+HCOOH"	64.039293
"1185982"	211.092551333333	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+3Na"	68.967654
"1656968"	633.304688	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Na+HCOOH"	68.994688
"162370"	1205.53904	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+2K-H"	76.91904
"604480"	1769.84904	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+2K-H"	76.91904
"1089357"	641.22904	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2K-H"	76.91904
"151276"	603.273158	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"2M+2K"	77.926316
"590837"	885.428158	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"3M+2K"	77.926316
"1081792"	321.118158	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2K"	77.926316
"1114517"	643.243592	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2K+H"	78.933592
"1348227"	643.331207	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+DMSO+H"	79.021207
"1020162"	647.370376	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2ACN+H"	83.060376
"1538161"	648.364008	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+IsoProp+Na+H"	84.054008
"1000232"	324.188826	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+2ACN+2H"	84.067652
"1589632"	649.278628	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+K+HCOOH"	84.968628
"1420394"	679.310138	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+H+CF3COOH"	115.000138
"1150693"	344.702101	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+3ACN+2H"	125.094202
"1700242"	696.336685	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+NH4+CF3COOH"	132.026685
"1634799"	701.29208	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+Na+CF3COOH"	136.98208
"1571668"	717.26602	"C09050"	"Bonafousine"	"C35H40N4O3"	"564.31"	"M+K+CF3COOH"	152.95602
"816931"	308.1889	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M"	0
"984194"	289.17051	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-H2O-H"	-19.01839
"76809"	204.451990666667	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M-3H"	-3.021828
"518156"	307.181624	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M-3H"	-3.021828
"894904"	101.722357333333	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-3H"	-3.021828
"9468"	307.181624	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M-2H"	-2.014552
"442831"	461.276074	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M-2H"	-2.014552
"822455"	153.087174	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-2H"	-2.014552
"83539"	615.370524	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M-H"	-1.007276
"522004"	923.559424	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M-H"	-1.007276
"898713"	307.181624	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-H"	-1.007276
"50902"	632.397071	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M-2H+NH4"	16.019271
"492647"	940.585971	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M-2H+NH4"	16.019271
"869362"	324.208171	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-2H+NH4"	16.019271
"34097"	637.352466	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M-2H+Na"	20.974666
"481200"	945.541366	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M-2H+Na"	20.974666
"853536"	329.163566	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-2H+Na"	20.974666
"1632183"	329.163566	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Na-2H"	20.974666
"102880"	325.169963	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M-H+Cl"	33.962126
"540253"	479.264413	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M-H+Cl"	33.962126
"939236"	171.075513	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-H+Cl"	33.962126
"272329"	651.347202	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+Cl"	34.969402
"669128"	959.536102	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+Cl"	34.969402
"1281532"	343.158302	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Cl"	34.969402
"28834"	653.326406	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M-2H+K"	36.948606
"462562"	961.515306	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M-2H+K"	36.948606
"841456"	345.137506	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-2H+K"	36.948606
"1561663"	345.137506	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+K-2H"	36.948606
"950639"	353.187094	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-H+HCOOH"	44.998194
"367761"	661.376001	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+HCOOH-H"	44.998201
"352010"	675.391651	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+Hac-H"	59.013851
"1498654"	367.202751	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Hac-H"	59.013851
"965834"	375.169051	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-H+NaCOOH"	66.980151
"119114"	343.158302	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+2Cl"	69.938804
"557581"	497.252752	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+2Cl"	69.938804
"1029660"	189.063852	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2Cl"	69.938804
"1249970"	387.107785	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Br"	78.918885
"1312784"	389.163772	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Cl+HCOOH"	80.974872
"1325909"	411.145729	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Cl+NaCOOH"	102.956829
"919153"	421.174486	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M-H+CF3COOH"	112.985586
"1298051"	457.151164	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Cl+CF3COOH"	148.962264
"1370741"	273.176224	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H-2H2O"	-35.012676
"1385319"	291.1862	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H-H2O"	-17.0027
"283668"	617.385076	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+H"	1.007276
"678525"	925.573976	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+H"	1.007276
"1352561"	309.196176	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H"	1.007276
"132868"	309.196176	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+2H"	2.014552
"566717"	463.290626	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+2H"	2.014552
"1038307"	155.101726	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2H"	2.014552
"205849"	206.466542666667	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+3H"	3.021828
"647596"	309.196176	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+3H"	3.021828
"1166814"	103.736909333333	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+3H"	3.021828
"430087"	634.411623	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+NH4"	18.033823
"795456"	942.600523	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+NH4"	18.033823
"1691786"	326.222723	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+NH4"	18.033823
"336785"	317.7094495	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+H+NH4"	19.041099
"730299"	471.8038995	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+H+NH4"	19.041099
"1485214"	163.6149995	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H+NH4"	19.041099
"401709"	639.367018	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+Na"	22.989218
"763796"	947.555918	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+Na"	22.989218
"1614079"	331.178118	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Na"	22.989218
"319748"	320.187147	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+H+Na"	23.996494
"714356"	474.281597	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+H+Na"	23.996494
"1464895"	166.092697	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H+Na"	23.996494
"1062148"	111.064223333333	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2H+Na"	25.00377
"1262006"	341.222386	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+CH3OH+H"	33.033486
"388235"	655.340958	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+K"	38.963158
"744857"	963.529858	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+K"	38.963158
"1546913"	347.152058	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+K"	38.963158
"308463"	328.174117	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+H+K"	39.970434
"703072"	482.268567	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+H+K"	39.970434
"1456890"	174.079667	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H+K"	39.970434
"248044"	658.411626	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+ACN+H"	42.033826
"1220024"	350.222726	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+ACN+H"	42.033826
"1202085"	175.615001	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+ACN+2H"	43.041102
"195321"	661.34896	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+2Na-H"	44.97116
"634154"	969.53786	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+2Na-H"	44.97116
"1136932"	353.16006	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2Na-H"	44.97116
"180225"	331.178118	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+2Na"	45.978436
"621974"	485.272568	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+2Na"	45.978436
"1118186"	177.083668	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2Na"	45.978436
"1409369"	118.391537333333	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H+2Na"	46.985712
"1440757"	355.201646	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H+HCOOH"	47.012746
"231185"	336.21114	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+3H2O+2H"	56.04448
"1519247"	369.25369	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+IsoProp+H"	61.06479
"416385"	339.165088	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+Na+K"	61.952376
"777015"	493.259538	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+Na+K"	61.952376
"1677358"	185.070638	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Na+K"	61.952376
"260235"	680.393568	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+ACN+Na"	64.015768
"1232944"	372.204668	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+ACN+Na"	64.015768
"1718914"	372.228193	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+NH4+HCOOH"	64.039293
"1180622"	125.718851333333	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+3Na"	68.967654
"1654160"	377.183588	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Na+HCOOH"	68.994688
"162478"	693.29684	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+2K-H"	76.91904
"604588"	1001.48574	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+2K-H"	76.91904
"1091290"	385.10794	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2K-H"	76.91904
"149199"	347.152058	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"2M+2K"	77.926316
"594230"	501.246508	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"3M+2K"	77.926316
"1079836"	193.057608	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2K"	77.926316
"1114385"	387.122492	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2K+H"	78.933592
"1347243"	387.210107	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+DMSO+H"	79.021207
"1017960"	391.249276	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2ACN+H"	83.060376
"1539126"	392.242908	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+IsoProp+Na+H"	84.054008
"999248"	196.128276	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+2ACN+2H"	84.067652
"1589378"	393.157528	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+K+HCOOH"	84.968628
"1417226"	423.189038	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+H+CF3COOH"	115.000138
"1154083"	216.641551	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+3ACN+2H"	125.094202
"1704729"	440.215585	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+NH4+CF3COOH"	132.026685
"1640379"	445.17098	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+Na+CF3COOH"	136.98208
"1573114"	461.14492	"C09051"	"Borrecapine"	"C20H24N2O"	"308.1889"	"M+K+CF3COOH"	152.95602
"802143"	266.1419	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M"	0
"977743"	247.12351	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-H2O-H"	-19.01839
"72545"	176.420657333333	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M-3H"	-3.021828
"514294"	265.134624	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M-3H"	-3.021828
"894648"	87.7066906666667	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-3H"	-3.021828
"9577"	265.134624	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M-2H"	-2.014552
"443671"	398.205574	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M-2H"	-2.014552
"818556"	132.063674	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-2H"	-2.014552
"80734"	531.276524	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M-H"	-1.007276
"521021"	797.418424	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M-H"	-1.007276
"898823"	265.134624	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-H"	-1.007276
"48338"	548.303071	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M-2H+NH4"	16.019271
"489477"	814.444971	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M-2H+NH4"	16.019271
"868378"	282.161171	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-2H+NH4"	16.019271
"32995"	553.258466	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M-2H+Na"	20.974666
"481310"	819.400366	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M-2H+Na"	20.974666
"854739"	287.116566	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-2H+Na"	20.974666
"1633792"	287.116566	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Na-2H"	20.974666
"104083"	283.122963	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M-H+Cl"	33.962126
"541456"	416.193913	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M-H+Cl"	33.962126
"938253"	150.052013	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-H+Cl"	33.962126
"274626"	567.253202	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+Cl"	34.969402
"673976"	833.395102	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+Cl"	34.969402
"1284922"	301.111302	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Cl"	34.969402
"29306"	569.232406	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M-2H+K"	36.948606
"463765"	835.374306	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M-2H+K"	36.948606
"841566"	303.090506	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-2H+K"	36.948606
"1560678"	303.090506	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+K-2H"	36.948606
"951842"	311.140094	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-H+HCOOH"	44.998194
"367871"	577.282001	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+HCOOH-H"	44.998201
"353942"	591.297651	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+Hac-H"	59.013851
"1496577"	325.155751	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Hac-H"	59.013851
"969223"	333.122051	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-H+NaCOOH"	66.980151
"118131"	301.111302	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+2Cl"	69.938804
"558784"	434.182252	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+2Cl"	69.938804
"1029770"	168.040352	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2Cl"	69.938804
"1246799"	345.060785	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Br"	78.918885
"1311800"	347.116772	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Cl+HCOOH"	80.974872
"1329295"	369.098729	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Cl+NaCOOH"	102.956829
"917075"	379.127486	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M-H+CF3COOH"	112.985586
"1290139"	415.104164	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Cl+CF3COOH"	148.962264
"1373036"	231.129224	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H-2H2O"	-35.012676
"1383968"	249.1392	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H-H2O"	-17.0027
"283414"	533.291076	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+H"	1.007276
"677906"	799.432976	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+H"	1.007276
"1351452"	267.149176	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H"	1.007276
"127509"	267.149176	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+2H"	2.014552
"565753"	400.220126	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+2H"	2.014552
"1037685"	134.078226	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2H"	2.014552
"205102"	178.435209333333	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+3H"	3.021828
"645880"	267.149176	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+3H"	3.021828
"1165466"	89.7212426666667	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+3H"	3.021828
"429104"	550.317623	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+NH4"	18.033823
"791193"	816.459523	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+NH4"	18.033823
"1688616"	284.175723	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+NH4"	18.033823
"334708"	275.6624495	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+H+NH4"	19.041099
"729316"	408.7333995	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+H+NH4"	19.041099
"1482043"	142.5914995	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H+NH4"	19.041099
"399631"	555.273018	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+Na"	22.989218
"760626"	821.414918	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+Na"	22.989218
"1609814"	289.131118	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Na"	22.989218
"318764"	278.140147	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+H+Na"	23.996494
"714466"	411.211097	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+H+Na"	23.996494
"1465005"	145.069197	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H+Na"	23.996494
"1057154"	97.0485566666667	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2H+Na"	25.00377
"1260656"	299.175386	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+CH3OH+H"	33.033486
"385065"	571.246958	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+K"	38.963158
"742050"	837.388858	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+K"	38.963158
"1545200"	305.105058	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+K"	38.963158
"304562"	286.127117	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+H+K"	39.970434
"704275"	419.198067	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+H+K"	39.970434
"1457001"	153.056167	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H+K"	39.970434
"245603"	574.317626	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+ACN+H"	42.033826
"1217219"	308.175726	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+ACN+H"	42.033826
"1201101"	154.591501	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+ACN+2H"	43.041102
"193974"	577.25496	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+2Na-H"	44.97116
"631348"	843.39686	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+2Na-H"	44.97116
"1134854"	311.11306	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2Na-H"	44.97116
"177782"	289.131118	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+2Na"	45.978436
"618436"	422.202068	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+2Na"	45.978436
"1118662"	156.060168	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2Na"	45.978436
"1410935"	104.375870666667	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H+2Na"	46.985712
"1440866"	313.154646	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H+HCOOH"	47.012746
"231295"	294.16414	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+3H2O+2H"	56.04448
"1519722"	327.20669	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+IsoProp+H"	61.06479
"413214"	297.118088	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+Na+K"	61.952376
"776395"	430.189038	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+Na+K"	61.952376
"1672728"	164.047138	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Na+K"	61.952376
"258157"	596.299568	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+ACN+Na"	64.015768
"1233052"	330.157668	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+ACN+Na"	64.015768
"1718294"	330.181193	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+NH4+HCOOH"	64.039293
"1181826"	111.703184666667	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+3Na"	68.967654
"1654272"	335.136588	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Na+HCOOH"	68.994688
"158942"	609.20284	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+2K-H"	76.91904
"603606"	875.34474	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+2K-H"	76.91904
"1088484"	343.06094	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2K-H"	76.91904
"147122"	305.105058	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"2M+2K"	77.926316
"588868"	438.176008	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"3M+2K"	77.926316
"1076665"	172.034108	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2K"	77.926316
"1112060"	345.075492	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2K+H"	78.933592
"1348445"	345.163107	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+DMSO+H"	79.021207
"1014790"	349.202276	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2ACN+H"	83.060376
"1536922"	350.195908	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+IsoProp+Na+H"	84.054008
"997171"	175.104776	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+2ACN+2H"	84.067652
"1589487"	351.110528	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+K+HCOOH"	84.968628
"1414663"	381.142038	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+H+CF3COOH"	115.000138
"1150913"	195.618051	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+3ACN+2H"	125.094202
"1704839"	398.168585	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+NH4+CF3COOH"	132.026685
"1640489"	403.12398	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+Na+CF3COOH"	136.98208
"1575047"	419.09792	"C09052"	"Borreline"	"C17H18N2O"	"266.1419"	"M+K+CF3COOH"	152.95602
"802496"	270.0892	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M"	0
"977852"	251.07081	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"69375"	179.052190666667	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"513311"	269.081924	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"894393"	89.0224573333333	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"9687"	269.081924	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"440502"	404.126524	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"818302"	134.037324	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"80116"	539.171124	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"521861"	809.260324	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"897475"	269.081924	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"48083"	556.197671	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"488370"	826.286871	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"867395"	286.108471	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"33105"	561.153066	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"480327"	831.242266	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"854849"	291.063866	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1625476"	291.063866	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"103100"	287.070263	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"542659"	422.114863	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"939456"	152.025663	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"274736"	575.147802	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"672993"	845.237002	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1284668"	305.058602	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"29415"	577.127006	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"466062"	847.216206	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"842769"	307.037806	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1562976"	307.037806	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"953045"	315.087394	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"371261"	585.176601	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"356238"	599.192251	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1497780"	329.103051	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"968240"	337.069351	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"121520"	305.058602	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"558166"	440.103202	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1029880"	170.014002	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1249461"	349.008085	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1311912"	351.064072	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1329405"	373.046029	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"916455"	383.074786	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1290978"	419.051464	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1374241"	235.076524	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1384078"	253.0865	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"284496"	541.185676	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"678016"	811.274876	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1351562"	271.096476	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"127983"	271.096476	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"565744"	406.141076	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1037307"	136.051876	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"205093"	181.066742666667	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"645994"	271.096476	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1165942"	91.0370093333333	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"433588"	558.212223	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"796770"	828.301423	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1689819"	288.123023	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"334819"	279.6097495	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"728332"	414.6543495	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1483247"	144.5651495	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"401928"	563.167618	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"760737"	833.256818	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1611018"	293.078418	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"318874"	282.087447	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"711296"	417.132047	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1464021"	147.042847	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1057264"	98.3643233333333	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1262225"	303.122686	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"385175"	579.141558	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"742890"	849.230758	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1547133"	309.052358	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"302850"	290.074417	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"702197"	425.119017	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1457111"	155.029817	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"247536"	582.212226	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1216236"	312.123026	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1197934"	156.565151	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"192991"	585.14956	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"632187"	855.23876	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1134966"	315.06036	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"177164"	293.078418	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"617818"	428.123018	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1118044"	158.033818	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1401568"	105.691637333333	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1441340"	317.101946	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"227754"	298.11144	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1518738"	331.15399	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"413324"	301.065388	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"779422"	436.109988	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1672839"	166.020788	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"257173"	604.194168	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1231339"	334.104968	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1723142"	334.128493	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1185214"	113.018951333333	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1658392"	339.083888	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"159418"	617.09744	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"601530"	887.18664	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1089324"	347.00824	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"147597"	309.052358	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"588981"	444.096958	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1077869"	174.007758	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1112169"	349.022792	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1345275"	349.110407	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1011618"	353.149576	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1536301"	354.143208	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"997281"	177.078426	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1587412"	355.057828	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1417445"	385.089338	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1151023"	197.591701	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1704949"	402.115885	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1640599"	407.07128	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1574064"	423.04522	"C09053"	"Alloimperatorin"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"803335"	240.1626	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M"	0
"979055"	221.14421	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-H2O-H"	-19.01839
"76046"	159.101124	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M-3H"	-3.021828
"516700"	239.155324	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M-3H"	-3.021828
"893408"	79.046924	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-3H"	-3.021828
"9797"	239.155324	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M-2H"	-2.014552
"444985"	359.236624	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M-2H"	-2.014552
"818046"	119.074024	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-2H"	-2.014552
"81317"	479.317924	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M-H"	-1.007276
"521244"	719.480524	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M-H"	-1.007276
"897948"	239.155324	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-H"	-1.007276
"48313"	496.344471	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M-2H+NH4"	16.019271
"490427"	736.507071	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M-2H+NH4"	16.019271
"872968"	256.181871	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-2H+NH4"	16.019271
"33578"	501.299866	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M-2H+Na"	20.974666
"472773"	741.462466	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M-2H+Na"	20.974666
"849117"	261.137266	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-2H+Na"	20.974666
"1622304"	261.137266	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Na-2H"	20.974666
"103210"	257.143663	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M-H+Cl"	33.962126
"540584"	377.224963	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M-H+Cl"	33.962126
"934098"	137.062363	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-H+Cl"	33.962126
"274846"	515.294602	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+Cl"	34.969402
"672738"	755.457202	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+Cl"	34.969402
"1286236"	275.132002	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Cl"	34.969402
"29159"	517.273806	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M-2H+K"	36.948606
"462892"	757.436406	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M-2H+K"	36.948606
"841786"	277.111206	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-2H+K"	36.948606
"1563086"	277.111206	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+K-2H"	36.948606
"952062"	285.160794	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-H+HCOOH"	44.998194
"371371"	525.323401	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+HCOOH-H"	44.998201
"356348"	539.339051	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+Hac-H"	59.013851
"1497161"	299.176451	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Hac-H"	59.013851
"970535"	307.142751	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-H+NaCOOH"	66.980151
"120536"	275.132002	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+2Cl"	69.938804
"559005"	395.213302	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+2Cl"	69.938804
"1031083"	155.050702	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2Cl"	69.938804
"1249571"	319.081485	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Br"	78.918885
"1309106"	321.137472	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Cl+HCOOH"	80.974872
"1322956"	343.119429	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Cl+NaCOOH"	102.956829
"916204"	353.148186	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M-H+CF3COOH"	112.985586
"1292184"	389.124864	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Cl+CF3COOH"	148.962264
"1372165"	205.149924	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H-2H2O"	-35.012676
"1384191"	223.1599	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H-H2O"	-17.0027
"289351"	481.332476	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+H"	1.007276
"681772"	721.495076	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+H"	1.007276
"1354476"	241.169876	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H"	1.007276
"128096"	241.169876	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+2H"	2.014552
"566680"	361.251176	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+2H"	2.014552
"1038399"	121.088576	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2H"	2.014552
"209459"	161.115676	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+3H"	3.021828
"644524"	241.169876	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+3H"	3.021828
"1162891"	81.061476	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+3H"	3.021828
"427137"	498.359023	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+NH4"	18.033823
"788134"	738.521623	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+NH4"	18.033823
"1685558"	258.196423	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+NH4"	18.033823
"333834"	249.6831495	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+H+NH4"	19.041099
"724553"	369.7644495	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+H+NH4"	19.041099
"1480440"	129.6018495	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H+NH4"	19.041099
"398755"	503.314418	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+Na"	22.989218
"758659"	743.477018	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+Na"	22.989218
"1606755"	263.151818	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Na"	22.989218
"322260"	252.160847	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+H+Na"	23.996494
"709580"	372.242147	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+H+Na"	23.996494
"1471784"	132.079547	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H+Na"	23.996494
"1059563"	88.38879	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2H+Na"	25.00377
"1262337"	273.196086	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+CH3OH+H"	33.033486
"380912"	519.288358	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+K"	38.963158
"740815"	759.450958	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+K"	38.963158
"1548336"	279.125758	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+K"	38.963158
"301139"	260.147817	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+H+K"	39.970434
"700850"	380.229117	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+H+K"	39.970434
"1455035"	140.066517	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H+K"	39.970434
"245824"	522.359026	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+ACN+H"	42.033826
"1216345"	282.196426	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+ACN+H"	42.033826
"1202413"	141.601851	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+ACN+2H"	43.041102
"194193"	525.29636	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+2Na-H"	44.97116
"630838"	765.45896	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+2Na-H"	44.97116
"1135804"	285.13376	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2Na-H"	44.97116
"174476"	263.151818	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+2Na"	45.978436
"615618"	383.233118	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+2Na"	45.978436
"1118154"	143.070518	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2Na"	45.978436
"1402771"	95.716104	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H+2Na"	46.985712
"1442543"	287.175346	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H+HCOOH"	47.012746
"224584"	268.18484	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+3H2O+2H"	56.04448
"1520670"	301.22739	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+IsoProp+H"	61.06479
"414528"	271.138788	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+Na+K"	61.952376
"778803"	391.220088	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+Na+K"	61.952376
"1670762"	151.057488	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Na+K"	61.952376
"259470"	544.340968	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+ACN+Na"	64.015768
"1234365"	304.178368	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+ACN+Na"	64.015768
"1724345"	304.201893	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+NH4+HCOOH"	64.039293
"1184231"	103.043418	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+3Na"	68.967654
"1659595"	309.157288	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Na+HCOOH"	68.994688
"160623"	557.24424	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+2K-H"	76.91904
"601641"	797.40684	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+2K-H"	76.91904
"1089435"	317.08164	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2K-H"	76.91904
"148438"	279.125758	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"2M+2K"	77.926316
"589090"	399.207058	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"3M+2K"	77.926316
"1079072"	159.044458	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2K"	77.926316
"1112279"	319.096192	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2K+H"	78.933592
"1344291"	319.183807	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+DMSO+H"	79.021207
"1016101"	323.222976	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2ACN+H"	83.060376
"1529850"	324.216608	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+IsoProp+Na+H"	84.054008
"997392"	162.115126	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+2ACN+2H"	84.067652
"1589709"	325.131228	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+K+HCOOH"	84.968628
"1416463"	355.162738	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+H+CF3COOH"	115.000138
"1151133"	182.628401	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+3ACN+2H"	125.094202
"1705059"	372.189285	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+NH4+CF3COOH"	132.026685
"1639617"	377.14468	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+Na+CF3COOH"	136.98208
"1574174"	393.11862	"C09054"	"Borrerine"	"C16H20N2"	"240.1626"	"M+K+CF3COOH"	152.95602
"811100"	460.1733	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M"	0
"976979"	441.15491	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-H2O-H"	-19.01839
"70688"	305.774924	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M-3H"	-3.021828
"513530"	459.166024	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M-3H"	-3.021828
"894252"	152.383824	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-3H"	-3.021828
"9907"	459.166024	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M-2H"	-2.014552
"442908"	689.252674	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M-2H"	-2.014552
"818642"	229.079374	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-2H"	-2.014552
"81063"	919.339324	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M-H"	-1.007276
"522448"	1379.512624	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M-H"	-1.007276
"898788"	459.166024	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-H"	-1.007276
"48176"	936.365871	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M-2H+NH4"	16.019271
"491997"	1396.539171	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M-2H+NH4"	16.019271
"870162"	476.192571	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-2H+NH4"	16.019271
"33686"	941.321266	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M-2H+Na"	20.974666
"473005"	1401.494566	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M-2H+Na"	20.974666
"849834"	481.147966	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-2H+Na"	20.974666
"1622415"	481.147966	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Na-2H"	20.974666
"105872"	477.154363	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M-H+Cl"	33.962126
"540694"	707.241013	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M-H+Cl"	33.962126
"930928"	247.067713	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-H+Cl"	33.962126
"274956"	955.316002	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+Cl"	34.969402
"672121"	1415.489302	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+Cl"	34.969402
"1286347"	495.142702	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Cl"	34.969402
"27813"	957.295206	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M-2H+K"	36.948606
"465554"	1417.468506	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M-2H+K"	36.948606
"841897"	497.121906	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-2H+K"	36.948606
"1565383"	497.121906	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+K-2H"	36.948606
"951080"	505.171494	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-H+HCOOH"	44.998194
"370388"	965.344801	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+HCOOH-H"	44.998201
"356459"	979.360451	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+Hac-H"	59.013851
"1498730"	519.187151	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Hac-H"	59.013851
"969553"	527.153451	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-H+NaCOOH"	66.980151
"119553"	495.142702	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+2Cl"	69.938804
"561301"	725.229352	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+2Cl"	69.938804
"1030100"	265.056052	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2Cl"	69.938804
"1252961"	539.092185	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Br"	78.918885
"1311039"	541.148172	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Cl+HCOOH"	80.974872
"1322702"	563.130129	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Cl+NaCOOH"	102.956829
"915219"	573.158886	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M-H+CF3COOH"	112.985586
"1291930"	609.135564	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Cl+CF3COOH"	148.962264
"1370087"	425.160624	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H-2H2O"	-35.012676
"1383210"	443.1706	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H-H2O"	-17.0027
"288367"	921.353876	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+H"	1.007276
"681882"	1381.527176	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+H"	1.007276
"1352763"	461.180576	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H"	1.007276
"130029"	461.180576	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+2H"	2.014552
"567763"	691.267226	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+2H"	2.014552
"1039481"	231.093926	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2H"	2.014552
"212849"	307.789476	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+3H"	3.021828
"645362"	461.180576	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+3H"	3.021828
"1167255"	154.398376	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+3H"	3.021828
"430527"	938.380423	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+NH4"	18.033823
"790430"	1398.553723	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+NH4"	18.033823
"1685667"	478.207123	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+NH4"	18.033823
"334308"	469.6938495	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+H+NH4"	19.041099
"725999"	699.7804995	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+H+NH4"	19.041099
"1480550"	239.6071995	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H+NH4"	19.041099
"402144"	943.335818	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+Na"	22.989218
"763141"	1403.509118	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+Na"	22.989218
"1611238"	483.162518	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Na"	22.989218
"323462"	472.171547	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+H+Na"	23.996494
"710418"	702.258197	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+H+Na"	23.996494
"1470801"	242.084897	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H+Na"	23.996494
"1062955"	161.72569	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2H+Na"	25.00377
"1260261"	493.206786	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+CH3OH+H"	33.033486
"378102"	959.309758	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+K"	38.963158
"740923"	1419.483058	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+K"	38.963158
"1545163"	499.136458	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+K"	38.963158
"307807"	480.158517	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+H+K"	39.970434
"702785"	710.245167	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+H+K"	39.970434
"1452958"	250.071867	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H+K"	39.970434
"242653"	962.380426	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+ACN+H"	42.033826
"1213538"	502.207126	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+ACN+H"	42.033826
"1198149"	251.607201	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+ACN+2H"	43.041102
"192481"	965.31776	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+2Na-H"	44.97116
"629853"	1425.49106	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+2Na-H"	44.97116
"1134091"	505.14446	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2Na-H"	44.97116
"174582"	483.162518	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+2Na"	45.978436
"618031"	713.249168	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+2Na"	45.978436
"1118987"	253.075868	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2Na"	45.978436
"1401417"	169.053004	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H+2Na"	46.985712
"1432079"	507.186046	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H+HCOOH"	47.012746
"227973"	488.19554	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+3H2O+2H"	56.04448
"1520053"	521.23809	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+IsoProp+H"	61.06479
"417919"	491.149488	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+Na+K"	61.952376
"777820"	721.236138	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+Na+K"	61.952376
"1670872"	261.062838	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Na+K"	61.952376
"258486"	984.362368	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+ACN+Na"	64.015768
"1235568"	524.189068	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+ACN+Na"	64.015768
"1724455"	524.212593	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+NH4+HCOOH"	64.039293
"1192119"	176.380318	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+3Na"	68.967654
"1659704"	529.167988	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Na+HCOOH"	68.994688
"164379"	997.26564	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+2K-H"	76.91904
"606128"	1457.43894	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+2K-H"	76.91904
"1090640"	537.09234	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2K-H"	76.91904
"149640"	499.136458	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"2M+2K"	77.926316
"587014"	729.223108	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"3M+2K"	77.926316
"1080273"	269.049808	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2K"	77.926316
"1110201"	539.106892	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2K+H"	78.933592
"1344401"	539.194507	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+DMSO+H"	79.021207
"1016210"	543.233676	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2ACN+H"	83.060376
"1529961"	544.227308	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+IsoProp+Na+H"	84.054008
"995316"	272.120476	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+2ACN+2H"	84.067652
"1587754"	545.141928	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+K+HCOOH"	84.968628
"1416573"	575.173438	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+H+CF3COOH"	115.000138
"1152336"	292.633751	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+3ACN+2H"	125.094202
"1705169"	592.199985	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+NH4+CF3COOH"	132.026685
"1636446"	597.15538	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+Na+CF3COOH"	136.98208
"1574284"	613.12932	"C09055"	"6-Acetylpicropolin"	"C24H28O9"	"460.1733"	"M+K+CF3COOH"	152.95602
"804649"	382.2144	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M"	0
"981463"	363.19601	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-H2O-H"	-19.01839
"76265"	253.802324	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M-3H"	-3.021828
"515827"	381.207124	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M-3H"	-3.021828
"893629"	126.397524	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-3H"	-3.021828
"7829"	381.207124	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M-2H"	-2.014552
"449576"	572.314324	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M-2H"	-2.014552
"826285"	190.099924	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-2H"	-2.014552
"84090"	763.421524	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M-H"	-1.007276
"531305"	1145.635924	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M-H"	-1.007276
"901452"	381.207124	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-H"	-1.007276
"51086"	780.448071	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M-2H+NH4"	16.019271
"495387"	1162.662471	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M-2H+NH4"	16.019271
"873188"	398.233671	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-2H+NH4"	16.019271
"34282"	785.403466	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M-2H+Na"	20.974666
"474088"	1167.617866	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M-2H+Na"	20.974666
"851891"	403.189066	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-2H+Na"	20.974666
"1621061"	403.189066	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Na-2H"	20.974666
"103429"	399.195463	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M-H+Cl"	33.962126
"544084"	590.302663	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M-H+Cl"	33.962126
"932131"	208.088263	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-H+Cl"	33.962126
"275066"	799.398202	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+Cl"	34.969402
"672237"	1181.612602	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+Cl"	34.969402
"1286457"	417.183802	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Cl"	34.969402
"27195"	801.377406	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M-2H+K"	36.948606
"465664"	1183.591806	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M-2H+K"	36.948606
"839821"	419.163006	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-2H+K"	36.948606
"1563307"	419.163006	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+K-2H"	36.948606
"949000"	427.212594	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-H+HCOOH"	44.998194
"367218"	809.427001	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+HCOOH-H"	44.998201
"354383"	823.442651	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+Hac-H"	59.013851
"1499204"	441.228251	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Hac-H"	59.013851
"970393"	449.194551	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-H+NaCOOH"	66.980151
"120757"	417.183802	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+2Cl"	69.938804
"558130"	608.291002	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+2Cl"	69.938804
"1030210"	226.076602	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2Cl"	69.938804
"1249791"	461.133285	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Br"	78.918885
"1312239"	463.189272	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Cl+HCOOH"	80.974872
"1325729"	485.171229	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Cl+NaCOOH"	102.956829
"913506"	495.199986	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M-H+CF3COOH"	112.985586
"1292404"	531.176664	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Cl+CF3COOH"	148.962264
"1372749"	347.201724	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H-2H2O"	-35.012676
"1384412"	365.2117	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H-H2O"	-17.0027
"288477"	765.436076	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+H"	1.007276
"680899"	1147.650476	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+H"	1.007276
"1353601"	383.221676	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H"	1.007276
"131232"	383.221676	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+2H"	2.014552
"566898"	574.328876	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+2H"	2.014552
"1042871"	192.114476	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2H"	2.014552
"210772"	255.816876	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+3H"	3.021828
"653616"	383.221676	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+3H"	3.021828
"1172834"	128.412076	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+3H"	3.021828
"432827"	782.462623	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+NH4"	18.033823
"791638"	1164.677023	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+NH4"	18.033823
"1690151"	400.248223	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+NH4"	18.033823
"338428"	391.7349495	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+H+NH4"	19.041099
"729755"	582.8421495	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+H+NH4"	19.041099
"1482484"	200.6277495	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H+NH4"	19.041099
"401163"	787.418018	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+Na"	22.989218
"763253"	1169.632418	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+Na"	22.989218
"1611351"	405.203618	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Na"	22.989218
"323574"	394.212647	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+H+Na"	23.996494
"711622"	585.319847	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+H+Na"	23.996494
"1469819"	203.105447	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H+Na"	23.996494
"1063065"	135.73939	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2H+Na"	25.00377
"1263652"	415.247886	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+CH3OH+H"	33.033486
"378338"	803.391958	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+K"	38.963158
"742493"	1185.606358	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+K"	38.963158
"1549648"	421.177558	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+K"	38.963158
"309011"	402.199617	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+H+K"	39.970434
"703621"	593.306817	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+H+K"	39.970434
"1455255"	211.092417	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H+K"	39.970434
"244950"	806.462626	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+ACN+H"	42.033826
"1214741"	424.248226	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+ACN+H"	42.033826
"1201539"	212.627751	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+ACN+2H"	43.041102
"191497"	809.39996	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+2Na-H"	44.97116
"630328"	1191.61436	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+2Na-H"	44.97116
"1132739"	427.18556	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2Na-H"	44.97116
"175057"	405.203618	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+2Na"	45.978436
"615225"	596.310818	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+2Na"	45.978436
"1118730"	214.096418	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2Na"	45.978436
"1402254"	143.066704	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H+2Na"	46.985712
"1432548"	429.227146	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H+HCOOH"	47.012746
"223707"	410.23664	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+3H2O+2H"	56.04448
"1513959"	443.27919	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+IsoProp+H"	61.06479
"419122"	413.190588	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+Na+K"	61.952376
"781209"	604.297788	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+Na+K"	61.952376
"1675357"	222.083388	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Na+K"	61.952376
"261876"	828.444568	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+ACN+Na"	64.015768
"1237865"	446.230168	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+ACN+Na"	64.015768
"1727605"	446.253693	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+NH4+HCOOH"	64.039293
"1188824"	150.394018	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+3Na"	68.967654
"1663094"	451.209088	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Na+HCOOH"	68.994688
"171049"	841.34784	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+2K-H"	76.91904
"608421"	1223.56224	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+2K-H"	76.91904
"1095121"	459.13344	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2K-H"	76.91904
"155218"	421.177558	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"2M+2K"	77.926316
"590404"	612.284758	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"3M+2K"	77.926316
"1077102"	230.070358	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2K"	77.926316
"1108124"	461.147992	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2K+H"	78.933592
"1346698"	461.235607	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+DMSO+H"	79.021207
"1014133"	465.274776	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2ACN+H"	83.060376
"1528978"	466.268408	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+IsoProp+Na+H"	84.054008
"995426"	233.141026	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+2ACN+2H"	84.067652
"1589931"	467.183028	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+K+HCOOH"	84.968628
"1419964"	497.214538	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+H+CF3COOH"	115.000138
"1154632"	253.654301	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+3ACN+2H"	125.094202
"1705279"	514.241085	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+NH4+CF3COOH"	132.026685
"1634854"	519.19648	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+Na+CF3COOH"	136.98208
"1575487"	535.17042	"C09056"	"Ammoresinol"	"C24H30O4"	"382.2144"	"M+K+CF3COOH"	152.95602
"801843"	304.2402	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M"	0
"978293"	285.22181	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"70908"	201.819524	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"513750"	303.232924	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"892645"	100.406124	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"4659"	303.232924	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"447499"	455.353024	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"825301"	151.112824	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"84201"	607.473124	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"530321"	911.713324	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"899009"	303.232924	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"50831"	624.499671	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"492217"	928.739871	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"867830"	320.259471	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"33054"	629.455066	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"474563"	933.695266	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"850908"	325.214866	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1621536"	325.214866	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"103539"	321.221263	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"540915"	473.341363	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"932240"	169.101163	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"281738"	643.449802	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"671980"	947.690002	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1285476"	339.209602	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"25482"	645.429006	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"467232"	949.669206	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"841022"	341.188806	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1563417"	341.188806	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"954581"	349.238394	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"367327"	653.478601	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"354492"	667.494251	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1499315"	363.254051	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"970139"	371.220351	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"120867"	339.209602	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"560427"	491.329702	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1030320"	187.089502	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1254274"	383.159085	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1313442"	385.215072	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1328756"	407.197029	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"915075"	417.225786	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1295430"	453.202464	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1372860"	269.227524	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1383795"	287.2375	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"285671"	609.487676	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"680280"	913.727876	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1356629"	305.247476	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"131705"	305.247476	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"568348"	457.367576	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1041887"	153.127376	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"208697"	203.834076	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"653727"	305.247476	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1171851"	102.420676	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"434031"	626.514223	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"792841"	930.754423	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1692448"	322.274023	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"338539"	313.7607495	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"732054"	465.8808495	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1485875"	161.6406495	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"405647"	631.469618	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"765550"	935.709818	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1612555"	327.229418	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"324776"	316.238447	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"712826"	468.358547	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1468836"	164.118347	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1062081"	109.74799	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1269227"	337.273686	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"381607"	647.443558	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"745519"	951.683758	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1550853"	343.203358	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"309123"	324.225417	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"701546"	476.345517	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1457553"	172.105317	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"248341"	650.514226	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1215582"	346.274026	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1199462"	173.640651	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"190877"	653.45156	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"630800"	957.69176	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1135034"	349.21136	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"175529"	327.229418	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"617158"	479.349518	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1119932"	175.109318	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1404184"	117.075304	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1434115"	351.252946	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"223087"	332.26244	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1511518"	365.30499	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"420324"	335.216388	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"780225"	487.336488	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1677653"	183.096288	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"259799"	672.496168	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1231414"	368.255968	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1724676"	368.279493	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1188934"	124.402618	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1658830"	373.234888	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"168974"	685.39944	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"609625"	989.63964	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1094138"	381.15924	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"150955"	343.203358	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"588325"	495.323458	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1073930"	191.083258	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1108234"	383.173792	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1342433"	383.261407	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1014243"	387.300576	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1528358"	388.294208	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"996628"	194.153926	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1589674"	389.208828	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1416063"	419.240338	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1154742"	214.667201	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1705389"	436.266885	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1635936"	441.22228	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1575597"	457.19622	"C09057"	"Acutilol A"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"808149"	434.2305	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M"	0
"981683"	415.21211	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-H2O-H"	-19.01839
"71018"	288.479724	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M-3H"	-3.021828
"514954"	433.223224	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M-3H"	-3.021828
"890569"	143.736224	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-3H"	-3.021828
"10237"	433.223224	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M-2H"	-2.014552
"447610"	650.338474	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M-2H"	-2.014552
"824318"	216.107974	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-2H"	-2.014552
"84311"	867.453724	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M-H"	-1.007276
"527151"	1301.684224	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M-H"	-1.007276
"900578"	433.223224	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-H"	-1.007276
"48390"	884.480271	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M-2H+NH4"	16.019271
"491234"	1318.710771	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M-2H+NH4"	16.019271
"864780"	450.249771	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-2H+NH4"	16.019271
"31952"	889.435666	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M-2H+Na"	20.974666
"474673"	1323.666166	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M-2H+Na"	20.974666
"851018"	455.205166	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-2H+Na"	20.974666
"1620921"	455.205166	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Na-2H"	20.974666
"103649"	451.211563	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M-H+Cl"	33.962126
"541025"	668.326813	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M-H+Cl"	33.962126
"932714"	234.096313	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-H+Cl"	33.962126
"280755"	903.430402	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+Cl"	34.969402
"672090"	1337.660902	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+Cl"	34.969402
"1285584"	469.199902	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Cl"	34.969402
"27778"	905.409606	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M-2H+K"	36.948606
"466612"	1339.640106	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M-2H+K"	36.948606
"838945"	471.179106	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-2H+K"	36.948606
"1561340"	471.179106	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+K-2H"	36.948606
"952504"	479.228694	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-H+HCOOH"	44.998194
"366708"	913.459201	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+HCOOH-H"	44.998201
"352050"	927.474851	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+Hac-H"	59.013851
"1496872"	493.244351	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Hac-H"	59.013851
"969884"	501.210651	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-H+NaCOOH"	66.980151
"120977"	469.199902	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+2Cl"	69.938804
"555432"	686.315152	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+2Cl"	69.938804
"1030430"	252.084652	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2Cl"	69.938804
"1253291"	513.149385	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Br"	78.918885
"1312459"	515.205372	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Cl+HCOOH"	80.974872
"1325949"	537.187329	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Cl+NaCOOH"	102.956829
"914091"	547.216086	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M-H+CF3COOH"	112.985586
"1295904"	583.192764	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Cl+CF3COOH"	148.962264
"1373699"	399.217824	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H-2H2O"	-35.012676
"1388280"	417.2278	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H-H2O"	-17.0027
"286509"	869.468276	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+H"	1.007276
"680390"	1303.698776	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+H"	1.007276
"1354913"	435.237776	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H"	1.007276
"129263"	435.237776	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+2H"	2.014552
"568458"	652.353026	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+2H"	2.014552
"1040175"	218.122526	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2H"	2.014552
"209899"	290.494276	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+3H"	3.021828
"652743"	435.237776	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+3H"	3.021828
"1170868"	145.750776	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+3H"	3.021828
"433048"	886.494823	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+NH4"	18.033823
"792950"	1320.725323	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+NH4"	18.033823
"1689279"	452.264323	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+NH4"	18.033823
"338650"	443.7510495	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+H+NH4"	19.041099
"735445"	660.8662995	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+H+NH4"	19.041099
"1485986"	226.6357995	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H+NH4"	19.041099
"403571"	891.450218	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+Na"	22.989218
"764566"	1325.680718	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+Na"	22.989218
"1614851"	457.219718	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Na"	22.989218
"323793"	446.228747	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+H+Na"	23.996494
"715123"	663.343997	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+H+Na"	23.996494
"1468946"	229.113497	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H+Na"	23.996494
"1064378"	153.07809	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2H+Na"	25.00377
"1268244"	467.263986	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+CH3OH+H"	33.033486
"383540"	907.424158	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+K"	38.963158
"746722"	1341.654658	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+K"	38.963158
"1552056"	473.193658	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+K"	38.963158
"310326"	454.215717	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+H+K"	39.970434
"701655"	671.330967	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+H+K"	39.970434
"1456569"	237.100467	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H+K"	39.970434
"245170"	910.494826	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+ACN+H"	42.033826
"1214599"	476.264326	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+ACN+H"	42.033826
"1199572"	238.635801	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+ACN+2H"	43.041102
"191352"	913.43216	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+2Na-H"	44.97116
"630912"	1347.66266	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+2Na-H"	44.97116
"1134050"	479.20166	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2Na-H"	44.97116
"174547"	457.219718	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+2Na"	45.978436
"615444"	674.334968	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+2Na"	45.978436
"1118220"	240.104468	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2Na"	45.978436
"1402836"	160.405404	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H+2Na"	46.985712
"1433132"	481.243246	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H+HCOOH"	47.012746
"222104"	462.25274	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+3H2O+2H"	56.04448
"1516368"	495.29529	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+IsoProp+H"	61.06479
"418246"	465.206688	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+Na+K"	61.952376
"777055"	682.321938	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+Na+K"	61.952376
"1676669"	248.091438	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Na+K"	61.952376
"256629"	932.476768	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+ACN+Na"	64.015768
"1232617"	498.246268	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+ACN+Na"	64.015768
"1725879"	498.269793	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+NH4+HCOOH"	64.039293
"1186858"	167.732718	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+3Na"	68.967654
"1656753"	503.225188	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Na+HCOOH"	68.994688
"167988"	945.38004	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+2K-H"	76.91904
"609735"	1379.61054	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+2K-H"	76.91904
"1096434"	511.14954	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2K-H"	76.91904
"149971"	473.193658	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"2M+2K"	77.926316
"592810"	690.308908	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"3M+2K"	77.926316
"1074041"	256.078408	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2K"	77.926316
"1107252"	513.164092	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2K+H"	78.933592
"1343637"	513.251707	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+DMSO+H"	79.021207
"1014353"	517.290876	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2ACN+H"	83.060376
"1530291"	518.284508	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+IsoProp+Na+H"	84.054008
"997831"	259.149076	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+2ACN+2H"	84.067652
"1589056"	519.199128	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+K+HCOOH"	84.968628
"1417997"	549.230638	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+H+CF3COOH"	115.000138
"1154852"	279.662351	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+3ACN+2H"	125.094202
"1705499"	566.257185	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+NH4+CF3COOH"	132.026685
"1636775"	571.21258	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+Na+CF3COOH"	136.98208
"1575707"	587.18652	"C09058"	"Ajugarin I"	"C24H34O7"	"434.2305"	"M+K+CF3COOH"	152.95602
"804981"	388.1522	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M"	0
"981793"	369.13381	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-H2O-H"	-19.01839
"71128"	257.760857333333	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M-3H"	-3.021828
"512878"	387.144924	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M-3H"	-3.021828
"888492"	128.376790666667	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-3H"	-3.021828
"8161"	387.144924	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M-2H"	-2.014552
"447721"	581.221024	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M-2H"	-2.014552
"824429"	193.068824	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-2H"	-2.014552
"84421"	775.297124	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M-H"	-1.007276
"520699"	1163.449324	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M-H"	-1.007276
"899959"	387.144924	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-H"	-1.007276
"48135"	792.323671	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M-2H+NH4"	16.019271
"490249"	1180.475871	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M-2H+NH4"	16.019271
"865863"	404.171471	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-2H+NH4"	16.019271
"32305"	797.279066	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M-2H+Na"	20.974666
"475518"	1185.431266	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M-2H+Na"	20.974666
"850769"	409.126866	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-2H+Na"	20.974666
"1620671"	409.126866	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Na-2H"	20.974666
"100481"	405.133263	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M-H+Cl"	33.962126
"544416"	599.209363	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M-H+Cl"	33.962126
"939027"	211.057163	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-H+Cl"	33.962126
"280865"	811.273802	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+Cl"	34.969402
"672562"	1199.426002	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+Cl"	34.969402
"1282416"	423.121602	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Cl"	34.969402
"22788"	813.253006	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M-2H+K"	36.948606
"463440"	1201.405206	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M-2H+K"	36.948606
"839055"	425.100806	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-2H+K"	36.948606
"1564729"	425.100806	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+K-2H"	36.948606
"951518"	433.150394	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-H+HCOOH"	44.998194
"374108"	821.302601	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+HCOOH-H"	44.998201
"350700"	835.318251	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+Hac-H"	59.013851
"1498439"	447.166051	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Hac-H"	59.013851
"964888"	455.132351	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-H+NaCOOH"	66.980151
"121817"	423.121602	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+2Cl"	69.938804
"557366"	617.197702	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+2Cl"	69.938804
"1030541"	229.045502	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2Cl"	69.938804
"1252307"	467.071085	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Br"	78.918885
"1312569"	469.127072	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Cl+HCOOH"	80.974872
"1332982"	491.109029	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Cl+NaCOOH"	102.956829
"918940"	501.137786	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M-H+CF3COOH"	112.985586
"1293460"	537.114464	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Cl+CF3COOH"	148.962264
"1372714"	353.139524	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H-2H2O"	-35.012676
"1388390"	371.1495	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H-H2O"	-17.0027
"289169"	777.311676	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+H"	1.007276
"678308"	1165.463876	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+H"	1.007276
"1357578"	389.159476	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H"	1.007276
"130467"	389.159476	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+2H"	2.014552
"571122"	583.235576	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+2H"	2.014552
"1041014"	195.083376	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2H"	2.014552
"212195"	259.775409333333	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+3H"	3.021828
"653945"	389.159476	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+3H"	3.021828
"1173163"	130.391342666667	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+3H"	3.021828
"435344"	794.338223	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+NH4"	18.033823
"797434"	1182.490423	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+NH4"	18.033823
"1690486"	406.186023	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+NH4"	18.033823
"340950"	397.6727495	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+H+NH4"	19.041099
"735921"	591.7488495	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+H+NH4"	19.041099
"1488285"	203.5966495	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H+NH4"	19.041099
"406235"	799.293618	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+Na"	22.989218
"766863"	1187.445818	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+Na"	22.989218
"1612774"	411.141418	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Na"	22.989218
"322811"	400.150447	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+H+Na"	23.996494
"711953"	594.226547	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+H+Na"	23.996494
"1467962"	206.074347	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H+Na"	23.996494
"1055740"	137.718656666667	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2H+Na"	25.00377
"1271393"	421.185686	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+CH3OH+H"	33.033486
"385837"	815.267558	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+K"	38.963158
"747925"	1203.419758	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+K"	38.963158
"1552167"	427.115358	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+K"	38.963158
"308247"	408.137417	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+H+K"	39.970434
"703951"	602.213517	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+H+K"	39.970434
"1456679"	214.061317	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H+K"	39.970434
"245279"	818.338226	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+ACN+H"	42.033826
"1212522"	430.186026	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+ACN+H"	42.033826
"1197861"	215.596651	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+ACN+2H"	43.041102
"190365"	821.27556	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+2Na-H"	44.97116
"631387"	1209.42776	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+2Na-H"	44.97116
"1133433"	433.12336	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2Na-H"	44.97116
"175265"	411.141418	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+2Na"	45.978436
"614098"	605.217518	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+2Na"	45.978436
"1118330"	217.065318	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2Na"	45.978436
"1400399"	145.045970666667	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H+2Na"	46.985712
"1433251"	435.164946	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H+HCOOH"	47.012746
"222944"	416.17444	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+3H2O+2H"	56.04448
"1512108"	449.21699	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+IsoProp+H"	61.06479
"409238"	419.128388	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+Na+K"	61.952376
"778258"	613.204488	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+Na+K"	61.952376
"1676777"	225.052288	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Na+K"	61.952376
"263295"	840.320168	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+ACN+Na"	64.015768
"1234913"	452.167968	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+ACN+Na"	64.015768
"1724896"	452.191493	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+NH4+HCOOH"	64.039293
"1189157"	152.373284666667	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+3Na"	68.967654
"1656862"	457.146888	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Na+HCOOH"	68.994688
"169191"	853.22344	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+2K-H"	76.91904
"606564"	1241.37564	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+2K-H"	76.91904
"1096543"	465.07124	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2K-H"	76.91904
"152267"	427.115358	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"2M+2K"	77.926316
"592920"	621.191458	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"3M+2K"	77.926316
"1080713"	233.039258	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2K"	77.926316
"1114894"	467.085792	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2K+H"	78.933592
"1348120"	467.173407	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+DMSO+H"	79.021207
"1013372"	471.212576	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2ACN+H"	83.060376
"1530399"	472.206208	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+IsoProp+Na+H"	84.054008
"994661"	236.109926	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+2ACN+2H"	84.067652
"1588802"	473.120828	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+K+HCOOH"	84.968628
"1422486"	503.152338	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+H+CF3COOH"	115.000138
"1154965"	256.623201	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+3ACN+2H"	125.094202
"1703421"	520.178885	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+NH4+CF3COOH"	132.026685
"1636884"	525.13428	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+Na+CF3COOH"	136.98208
"1575818"	541.10822	"C09059"	"Alectrol;Orobanchyl acetate"	"C21H24O7"	"388.1522"	"M+K+CF3COOH"	152.95602
"816397"	186.0317	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M"	0
"980812"	167.01331	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-H2O-H"	-19.01839
"70148"	123.013857333333	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M-3H"	-3.021828
"508615"	185.024424	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M-3H"	-3.021828
"890788"	61.0032906666667	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-3H"	-3.021828
"6084"	185.024424	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M-2H"	-2.014552
"448925"	278.040274	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M-2H"	-2.014552
"824539"	92.008574	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-2H"	-2.014552
"83438"	371.056124	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M-H"	-1.007276
"521537"	557.087824	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M-H"	-1.007276
"897885"	185.024424	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-H"	-1.007276
"50800"	388.082671	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M-2H+NH4"	16.019271
"490359"	574.114371	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M-2H+NH4"	16.019271
"868526"	202.050971	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-2H+NH4"	16.019271
"36062"	393.038066	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M-2H+Na"	20.974666
"475628"	579.069766	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M-2H+Na"	20.974666
"855620"	207.006366	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-2H+Na"	20.974666
"1627341"	207.006366	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Na-2H"	20.974666
"103871"	203.012763	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M-H+Cl"	33.962126
"544526"	296.028613	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M-H+Cl"	33.962126
"936951"	109.996913	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-H+Cl"	33.962126
"278788"	407.032802	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+Cl"	34.969402
"671213"	593.064502	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+Cl"	34.969402
"1280339"	221.001102	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Cl"	34.969402
"25084"	409.012006	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M-2H+K"	36.948606
"463550"	595.043706	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M-2H+K"	36.948606
"843538"	222.980306	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-2H+K"	36.948606
"1564840"	222.980306	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+K-2H"	36.948606
"950536"	231.029894	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-H+HCOOH"	44.998194
"373125"	417.061601	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+HCOOH-H"	44.998201
"352632"	431.077251	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+Hac-H"	59.013851
"1503652"	245.045551	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Hac-H"	59.013851
"965362"	253.011851	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-H+NaCOOH"	66.980151
"116092"	221.001102	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+2Cl"	69.938804
"557840"	314.016952	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+2Cl"	69.938804
"1028098"	127.985252	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2Cl"	69.938804
"1250231"	264.950585	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Br"	78.918885
"1315960"	267.006572	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Cl+HCOOH"	80.974872
"1331635"	288.988529	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Cl+NaCOOH"	102.956829
"919049"	299.017286	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M-H+CF3COOH"	112.985586
"1293570"	334.993964	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Cl+CF3COOH"	148.962264
"1367961"	151.019024	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H-2H2O"	-35.012676
"1385220"	169.029	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H-H2O"	-17.0027
"283812"	373.070676	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+H"	1.007276
"683526"	559.102376	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+H"	1.007276
"1359875"	187.038976	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H"	1.007276
"129483"	187.038976	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+2H"	2.014552
"573419"	280.054826	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+2H"	2.014552
"1046594"	94.023126	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2H"	2.014552
"218872"	125.028409333333	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+3H"	3.021828
"656244"	187.038976	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+3H"	3.021828
"1174372"	63.0178426666667	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+3H"	3.021828
"437645"	390.097223	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+NH4"	18.033823
"800463"	576.128923	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+NH4"	18.033823
"1694970"	204.065523	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+NH4"	18.033823
"343977"	195.5522495	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+H+NH4"	19.041099
"736761"	288.5680995	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+H+NH4"	19.041099
"1489489"	102.5363995	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H+NH4"	19.041099
"403796"	395.052618	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+Na"	22.989218
"768556"	581.084318	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+Na"	22.989218
"1615800"	209.020918	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Na"	22.989218
"324744"	198.029947	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+H+Na"	23.996494
"715343"	291.045797	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+H+Na"	23.996494
"1468072"	105.014097	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H+Na"	23.996494
"1055850"	70.3451566666667	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2H+Na"	25.00377
"1270652"	219.065186	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+CH3OH+H"	33.033486
"387039"	411.026558	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+K"	38.963158
"749129"	597.058258	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+K"	38.963158
"1552277"	224.994858	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+K"	38.963158
"309450"	206.016917	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+H+K"	39.970434
"701875"	299.032767	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+H+K"	39.970434
"1455696"	113.001067	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H+K"	39.970434
"245389"	414.097226	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+ACN+H"	42.033826
"1214088"	228.065526	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+ACN+H"	42.033826
"1201979"	114.536401	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+ACN+2H"	43.041102
"191933"	417.03456	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+2Na-H"	44.97116
"632954"	603.06626	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+2Na-H"	44.97116
"1134636"	231.00286	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2Na-H"	44.97116
"177560"	209.020918	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+2Na"	45.978436
"614205"	302.036768	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+2Na"	45.978436
"1116981"	116.005068	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2Na"	45.978436
"1401965"	77.6724706666667	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H+2Na"	46.985712
"1431538"	233.044446	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H+HCOOH"	47.012746
"220865"	214.05394	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+3H2O+2H"	56.04448
"1512218"	247.09649	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+IsoProp+H"	61.06479
"410082"	217.007888	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+Na+K"	61.952376
"776181"	310.023738	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+Na+K"	61.952376
"1674700"	123.992038	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Na+K"	61.952376
"257938"	436.079168	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+ACN+Na"	64.015768
"1231743"	250.047468	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+ACN+Na"	64.015768
"1722819"	250.070993	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+NH4+HCOOH"	64.039293
"1190359"	84.9997846666667	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+3Na"	68.967654
"1656972"	255.026388	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Na+HCOOH"	68.994688
"162739"	448.98244	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+2K-H"	76.91904
"604486"	635.01414	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+2K-H"	76.91904
"1095559"	262.95074	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2K-H"	76.91904
"150187"	224.994858	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"2M+2K"	77.926316
"595216"	318.010708	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"3M+2K"	77.926316
"1079729"	131.979008	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2K"	77.926316
"1113789"	264.965292	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2K+H"	78.933592
"1342762"	265.052907	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+DMSO+H"	79.021207
"1016762"	269.092076	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2ACN+H"	83.060376
"1528323"	270.085708	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+IsoProp+Na+H"	84.054008
"991859"	135.049676	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+2ACN+2H"	84.067652
"1594748"	271.000328	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+K+HCOOH"	84.968628
"1418226"	301.031838	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+H+CF3COOH"	115.000138
"1151795"	155.562951	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+3ACN+2H"	125.094202
"1705719"	318.058385	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+NH4+CF3COOH"	132.026685
"1646839"	323.01378	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+Na+CF3COOH"	136.98208
"1575928"	338.98772	"C09060"	"Angelicin;Isopsoralen"	"C11H6O3"	"186.0317"	"M+K+CF3COOH"	152.95602
"802283"	284.1412	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M"	0
"985297"	265.12281	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-H2O-H"	-19.01839
"70259"	188.420190666667	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M-3H"	-3.021828
"512006"	283.133924	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M-3H"	-3.021828
"885434"	93.7064573333333	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-3H"	-3.021828
"4010"	283.133924	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M-2H"	-2.014552
"445755"	425.204524	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M-2H"	-2.014552
"820278"	141.063324	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-2H"	-2.014552
"80633"	567.275124	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M-H"	-1.007276
"520924"	851.416324	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M-H"	-1.007276
"898116"	283.133924	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-H"	-1.007276
"50910"	584.301671	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M-2H+NH4"	16.019271
"491564"	868.442871	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M-2H+NH4"	16.019271
"867545"	300.160471	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-2H+NH4"	16.019271
"41645"	589.257066	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M-2H+Na"	20.974666
"475738"	873.398266	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M-2H+Na"	20.974666
"855730"	305.115866	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-2H+Na"	20.974666
"1624172"	305.115866	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Na-2H"	20.974666
"105078"	301.122263	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M-H+Cl"	33.962126
"542450"	443.192863	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M-H+Cl"	33.962126
"937429"	159.051663	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-H+Cl"	33.962126
"273801"	603.251802	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+Cl"	34.969402
"668041"	887.393002	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+Cl"	34.969402
"1281538"	319.110602	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Cl"	34.969402
"22640"	605.231006	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M-2H+K"	36.948606
"466214"	889.372206	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M-2H+K"	36.948606
"843649"	321.089806	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-2H+K"	36.948606
"1561670"	321.089806	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+K-2H"	36.948606
"951740"	329.139394	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-H+HCOOH"	44.998194
"368861"	613.280601	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+HCOOH-H"	44.998201
"354932"	627.296251	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+Hac-H"	59.013851
"1501579"	343.155051	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Hac-H"	59.013851
"966932"	351.121351	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-H+NaCOOH"	66.980151
"120216"	319.110602	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+2Cl"	69.938804
"558682"	461.181202	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+2Cl"	69.938804
"1028574"	177.040002	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2Cl"	69.938804
"1247425"	363.060085	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Br"	78.918885
"1310240"	365.116072	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Cl+HCOOH"	80.974872
"1324092"	387.098029	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Cl+NaCOOH"	102.956829
"917337"	397.126786	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M-H+CF3COOH"	112.985586
"1294046"	433.103464	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Cl+CF3COOH"	148.962264
"1369654"	249.128524	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H-2H2O"	-35.012676
"1384474"	267.1385	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H-H2O"	-17.0027
"291216"	569.289676	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+H"	1.007276
"679991"	853.430876	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+H"	1.007276
"1358893"	285.148476	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H"	1.007276
"135064"	285.148476	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+2H"	2.014552
"575718"	427.219076	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+2H"	2.014552
"1049986"	143.077876	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2H"	2.014552
"216796"	190.434742666667	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+3H"	3.021828
"657447"	285.148476	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+3H"	3.021828
"1174482"	95.7210093333334	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+3H"	3.021828
"436659"	586.316223	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+NH4"	18.033823
"798747"	870.457423	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+NH4"	18.033823
"1692892"	302.175023	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+NH4"	18.033823
"343356"	293.6617495	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+H+NH4"	19.041099
"734683"	435.7323495	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+H+NH4"	19.041099
"1489597"	151.5911495	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H+NH4"	19.041099
"406819"	591.271618	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+Na"	22.989218
"767813"	875.412818	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+Na"	22.989218
"1612993"	307.130418	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Na"	22.989218
"324126"	296.139447	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+H+Na"	23.996494
"718736"	438.210047	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+H+Na"	23.996494
"1468181"	154.068847	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H+Na"	23.996494
"1063615"	103.048323333333	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2H+Na"	25.00377
"1271492"	317.174686	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+CH3OH+H"	33.033486
"387148"	607.245558	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+K"	38.963158
"751426"	891.386758	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+K"	38.963158
"1551291"	323.104358	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+K"	38.963158
"310289"	304.126417	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+H+K"	39.970434
"698706"	446.197017	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+H+K"	39.970434
"1452527"	162.055817	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H+K"	39.970434
"239299"	610.316226	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+ACN+H"	42.033826
"1216022"	326.175026	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+ACN+H"	42.033826
"1198807"	163.591151	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+ACN+2H"	43.041102
"193867"	613.25356	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+2Na-H"	44.97116
"631968"	897.39476	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+2Na-H"	44.97116
"1133288"	329.11236	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2Na-H"	44.97116
"174027"	307.130418	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+2Na"	45.978436
"617595"	449.201018	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+2Na"	45.978436
"1118549"	165.059818	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2Na"	45.978436
"1399889"	110.375637333333	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H+2Na"	46.985712
"1431276"	331.153946	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H+HCOOH"	47.012746
"222425"	312.16344	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+3H2O+2H"	56.04448
"1515608"	345.20599	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+IsoProp+H"	61.06479
"410922"	315.117388	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+Na+K"	61.952376
"774105"	457.187988	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+Na+K"	61.952376
"1666422"	173.046788	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Na+K"	61.952376
"256959"	632.298168	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+ACN+Na"	64.015768
"1239511"	348.156968	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+ACN+Na"	64.015768
"1721836"	348.180493	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+NH4+HCOOH"	64.039293
"1190471"	117.702951333333	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+3Na"	68.967654
"1662552"	353.135888	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Na+HCOOH"	68.994688
"169411"	645.20144	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+2K-H"	76.91904
"603504"	929.34264	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+2K-H"	76.91904
"1092390"	361.06024	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2K-H"	76.91904
"148112"	323.104358	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"2M+2K"	77.926316
"589860"	465.174958	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"3M+2K"	77.926316
"1079839"	181.033758	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2K"	77.926316
"1111956"	363.074792	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2K+H"	78.933592
"1343965"	363.162407	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+DMSO+H"	79.021207
"1014682"	367.201576	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2ACN+H"	83.060376
"1527345"	368.195208	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+IsoProp+Na+H"	84.054008
"995982"	184.104426	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+2ACN+2H"	84.067652
"1593765"	369.109828	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+K+HCOOH"	84.968628
"1418337"	399.141338	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+H+CF3COOH"	115.000138
"1151905"	204.617701	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+3ACN+2H"	125.094202
"1702551"	416.167885	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+NH4+CF3COOH"	132.026685
"1643669"	421.12328	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+Na+CF3COOH"	136.98208
"1576038"	437.09722	"C09061"	"Allogibberic acid"	"C18H20O3"	"284.1412"	"M+K+CF3COOH"	152.95602
"810777"	346.1416	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M"	0
"986497"	327.12321	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"76566"	229.753790666667	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"515762"	345.134324	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"891011"	114.373257333333	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"10679"	345.134324	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"450240"	518.205124	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"825856"	172.063524	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"88035"	691.275924	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"526501"	1037.417524	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"903211"	345.134324	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"54304"	708.302471	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"492770"	1054.444071	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"873854"	362.160871	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"41755"	713.257866	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"475848"	1059.399466	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"853652"	367.116266	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1627561"	367.116266	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"106281"	363.122663	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"544746"	536.193463	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"934991"	190.051863	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"273911"	727.252602	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"669244"	1073.394202	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1282741"	381.111002	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"25304"	729.231806	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"465960"	1075.373406	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"844855"	383.090206	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1566884"	383.090206	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"952946"	391.139794	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"371160"	737.281401	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"356503"	751.297051	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1501691"	405.155451	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"969230"	413.121751	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"118136"	381.111002	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"559885"	554.181802	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1029777"	208.040202	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1251545"	425.060485	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1311076"	427.116472	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1330400"	449.098429	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"924737"	459.127186	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1297073"	495.103864	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1371954"	311.128924	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1390545"	329.1389	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"296794"	693.290476	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"689946"	1039.432076	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1365203"	347.148876	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"139550"	347.148876	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"580694"	520.219676	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1052042"	174.078076	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"219092"	231.768342666667	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"658288"	347.148876	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1178467"	116.387809333333	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"438593"	710.317023	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"801339"	1056.458623	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1696975"	364.175423	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"345335"	355.6621495	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"737348"	528.7329495	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1491893"	182.5913495	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"405107"	715.272418	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"769020"	1061.414018	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1617480"	369.130818	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"326423"	358.139847	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"721033"	531.210647	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1470477"	185.069047	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1061537"	123.715123333333	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1266496"	379.175086	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"388352"	731.246358	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"751536"	1077.387958	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1548122"	385.104758	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"306389"	366.126817	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"696629"	539.197617	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1453730"	193.056017	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"240143"	734.317026	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1213216"	388.175426	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1200378"	194.591351	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"192155"	737.25436	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"631350"	1083.39596	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1132305"	391.11276	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"174014"	369.130818	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"614063"	542.201618	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1117569"	196.060018	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1398903"	131.042437333333	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1431266"	393.154346	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"222172"	374.16384	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1517906"	407.20639	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"412125"	377.117788	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"773853"	550.188588	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1672736"	204.046988	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"259256"	756.298968	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1228681"	410.157368	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1724133"	410.180893	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1190581"	138.369751333333	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1665180"	415.136288	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"168429"	769.20224	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"609082"	1115.34384	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1093595"	423.06064	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"147129"	385.104758	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"589970"	558.175558	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1082137"	212.033958	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1109879"	425.075192	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1341889"	425.162807	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1014793"	429.201976	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1528549"	430.195608	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"1002652"	215.104626	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1590595"	431.110228	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1423916"	461.141738	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1156390"	235.617901	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1705942"	478.168285	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1647059"	483.12368	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1581616"	499.09762	"C09062"	"Antheridic acid;Antheridiogen-An"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"803232"	408.2512	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M"	0
"986607"	389.23281	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-H2O-H"	-19.01839
"73755"	271.160190666667	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M-3H"	-3.021828
"511133"	407.243924	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M-3H"	-3.021828
"883466"	135.076457333333	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-3H"	-3.021828
"8602"	407.243924	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M-2H"	-2.014552
"445976"	611.369524	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M-2H"	-2.014552
"819405"	203.118324	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-2H"	-2.014552
"82678"	815.495124	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M-H"	-1.007276
"522237"	1223.746324	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M-H"	-1.007276
"900040"	407.243924	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-H"	-1.007276
"51134"	832.521671	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M-2H+NH4"	16.019271
"490695"	1240.772871	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M-2H+NH4"	16.019271
"878339"	424.270471	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-2H+NH4"	16.019271
"41865"	837.477066	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M-2H+Na"	20.974666
"475958"	1245.728266	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M-2H+Na"	20.974666
"857040"	429.225866	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-2H+Na"	20.974666
"1630951"	429.225866	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Na-2H"	20.974666
"108455"	425.232263	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M-H+Cl"	33.962126
"544856"	629.357863	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M-H+Cl"	33.962126
"938379"	221.106663	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-H+Cl"	33.962126
"279124"	851.471802	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+Cl"	34.969402
"668261"	1259.723002	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+Cl"	34.969402
"1281031"	443.220602	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Cl"	34.969402
"29786"	853.451006	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M-2H+K"	36.948606
"468256"	1261.702206	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M-2H+K"	36.948606
"846057"	445.199806	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-2H+K"	36.948606
"1568816"	445.199806	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+K-2H"	36.948606
"955970"	453.249394	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-H+HCOOH"	44.998194
"373092"	861.500601	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+HCOOH-H"	44.998201
"354063"	875.516251	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+Hac-H"	59.013851
"1503985"	467.265051	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Hac-H"	59.013851
"968247"	475.231351	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-H+NaCOOH"	66.980151
"119706"	443.220602	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+2Cl"	69.938804
"562547"	647.346202	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+2Cl"	69.938804
"1033533"	239.095002	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2Cl"	69.938804
"1245820"	487.170085	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Br"	78.918885
"1310821"	489.226072	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Cl+HCOOH"	80.974872
"1327227"	511.208029	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Cl+NaCOOH"	102.956829
"923752"	521.236786	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M-H+CF3COOH"	112.985586
"1293899"	557.213464	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Cl+CF3COOH"	148.962264
"1373156"	373.238524	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H-2H2O"	-35.012676
"1386642"	391.2485	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H-H2O"	-17.0027
"290339"	817.509676	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+H"	1.007276
"684950"	1225.760876	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+H"	1.007276
"1366285"	409.258476	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H"	1.007276
"140632"	409.258476	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+2H"	2.014552
"580680"	613.384076	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+2H"	2.014552
"1050207"	205.132876	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2H"	2.014552
"218473"	273.174742666667	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+3H"	3.021828
"656576"	409.258476	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+3H"	3.021828
"1176524"	137.091009333333	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+3H"	3.021828
"434693"	834.536223	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+NH4"	18.033823
"794595"	1242.787423	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+NH4"	18.033823
"1694204"	426.285023	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+NH4"	18.033823
"344308"	417.7717495	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+H+NH4"	19.041099
"736730"	621.8973495	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+H+NH4"	19.041099
"1489455"	213.6461495	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H+NH4"	19.041099
"404123"	839.491618	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+Na"	22.989218
"768398"	1247.742818	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+Na"	22.989218
"1618351"	431.240418	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Na"	22.989218
"327261"	420.249447	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+H+Na"	23.996494
"720782"	624.375047	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+H+Na"	23.996494
"1471680"	216.123847	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H+Na"	23.996494
"1064928"	144.418323333333	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2H+Na"	25.00377
"1266606"	441.284686	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+CH3OH+H"	33.033486
"388462"	855.465558	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+K"	38.963158
"750918"	1263.716758	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+K"	38.963158
"1550418"	447.214358	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+K"	38.963158
"308685"	428.236417	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+H+K"	39.970434
"700018"	632.362017	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+H+K"	39.970434
"1456757"	224.110817	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H+K"	39.970434
"242441"	858.536226	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+ACN+H"	42.033826
"1216243"	450.285026	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+ACN+H"	42.033826
"1203404"	225.646151	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+ACN+2H"	43.041102
"192995"	861.47356	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+2Na-H"	44.97116
"631826"	1269.72476	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+2Na-H"	44.97116
"1135331"	453.22236	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2Na-H"	44.97116
"174245"	431.240418	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+2Na"	45.978436
"613682"	635.366018	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+2Na"	45.978436
"1116949"	227.114818	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2Na"	45.978436
"1400476"	151.745637333333	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H+2Na"	46.985712
"1430077"	455.263946	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H+HCOOH"	47.012746
"220461"	436.27344	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+3H2O+2H"	56.04448
"1513639"	469.31599	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+IsoProp+H"	61.06479
"412236"	439.227388	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+Na+K"	61.952376
"776512"	643.352988	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+Na+K"	61.952376
"1673939"	235.101788	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Na+K"	61.952376
"260460"	880.518168	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+ACN+Na"	64.015768
"1229883"	472.266968	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+ACN+Na"	64.015768
"1725336"	472.290493	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+NH4+HCOOH"	64.039293
"1193245"	159.072951333333	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+3Na"	68.967654
"1664718"	477.245888	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Na+HCOOH"	68.994688
"167446"	893.42144	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+2K-H"	76.91904
"608099"	1301.67264	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+2K-H"	76.91904
"1092612"	485.17024	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2K-H"	76.91904
"151614"	447.214358	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"2M+2K"	77.926316
"590081"	651.339958	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"3M+2K"	77.926316
"1076780"	243.088758	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2K"	77.926316
"1109989"	487.184792	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2K+H"	78.933592
"1344186"	487.272407	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+DMSO+H"	79.021207
"1013812"	491.311576	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2ACN+H"	83.060376
"1527565"	492.305208	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+IsoProp+Na+H"	84.054008
"998389"	246.159426	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+2ACN+2H"	84.067652
"1590705"	493.219828	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+K+HCOOH"	84.968628
"1424024"	523.251338	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+H+CF3COOH"	115.000138
"1155406"	266.672701	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+3ACN+2H"	125.094202
"1709329"	540.277885	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+NH4+CF3COOH"	132.026685
"1647169"	545.23328	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+Na+CF3COOH"	136.98208
"1581726"	561.20722	"C09063"	"Asebotoxin II"	"C23H36O6"	"408.2512"	"M+K+CF3COOH"	152.95602
"802249"	802.1345	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M"	0
"985624"	783.11611	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-H2O-H"	-19.01839
"66210"	533.749057333333	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M-3H"	-3.021828
"511243"	801.127224	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M-3H"	-3.021828
"883576"	266.370890666667	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-3H"	-3.021828
"8712"	801.127224	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M-2H"	-2.014552
"444993"	1202.194474	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M-2H"	-2.014552
"819515"	400.059974	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-2H"	-2.014552
"82788"	1603.261724	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M-H"	-1.007276
"521254"	2405.396224	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M-H"	-1.007276
"899057"	801.127224	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-H"	-1.007276
"52338"	1620.288271	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M-2H+NH4"	16.019271
"489712"	2422.422771	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M-2H+NH4"	16.019271
"878085"	818.153771	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-2H+NH4"	16.019271
"41975"	1625.243666	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M-2H+Na"	20.974666
"479348"	2427.378166	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M-2H+Na"	20.974666
"860430"	823.109166	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-2H+Na"	20.974666
"1624500"	823.109166	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Na-2H"	20.974666
"94872"	819.115563	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M-H+Cl"	33.962126
"544966"	1220.182813	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M-H+Cl"	33.962126
"938489"	418.048313	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-H+Cl"	33.962126
"279233"	1639.238402	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+Cl"	34.969402
"667277"	2441.372902	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+Cl"	34.969402
"1281869"	837.103902	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Cl"	34.969402
"25521"	1641.217606	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M-2H+K"	36.948606
"470551"	2443.352106	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M-2H+K"	36.948606
"843977"	839.083106	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-2H+K"	36.948606
"1569289"	839.083106	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+K-2H"	36.948606
"957171"	847.132694	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-H+HCOOH"	44.998194
"369190"	1649.267201	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+HCOOH-H"	44.998201
"353076"	1663.282851	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+Hac-H"	59.013851
"1501908"	861.148351	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Hac-H"	59.013851
"965076"	869.114651	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-H+NaCOOH"	66.980151
"119816"	837.103902	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+2Cl"	69.938804
"560106"	1238.171152	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+2Cl"	69.938804
"1031820"	436.036652	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2Cl"	69.938804
"1247388"	881.053385	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Br"	78.918885
"1314212"	883.109372	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Cl+HCOOH"	80.974872
"1324057"	905.091329	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Cl+NaCOOH"	102.956829
"921674"	915.120086	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M-H+CF3COOH"	112.985586
"1289998"	951.096764	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Cl+CF3COOH"	148.962264
"1369986"	767.121824	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H-2H2O"	-35.012676
"1382812"	785.1318	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H-H2O"	-17.0027
"284980"	1605.276276	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+H"	1.007276
"681780"	2407.410776	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+H"	1.007276
"1365788"	803.141776	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H"	1.007276
"138677"	803.141776	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+2H"	2.014552
"578967"	1204.209026	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+2H"	2.014552
"1048130"	402.074526	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2H"	2.014552
"217854"	535.763609333333	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+3H"	3.021828
"656686"	803.141776	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+3H"	3.021828
"1175904"	268.385442666667	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+3H"	3.021828
"434803"	1622.302823	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+NH4"	18.033823
"796892"	2424.437323	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+NH4"	18.033823
"1694315"	820.168323	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+NH4"	18.033823
"343326"	811.6550495	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+H+NH4"	19.041099
"736476"	1212.7222995	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+H+NH4"	19.041099
"1490658"	410.5877995	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H+NH4"	19.041099
"405326"	1627.258218	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+Na"	22.989218
"768147"	2429.392718	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+Na"	22.989218
"1617949"	825.123718	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Na"	22.989218
"327373"	814.132747	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+H+Na"	23.996494
"720891"	1215.199997	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+H+Na"	23.996494
"1473981"	413.065497	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H+Na"	23.996494
"1064310"	275.712756666667	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2H+Na"	25.00377
"1269269"	835.167986	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+CH3OH+H"	33.033486
"390032"	1643.232158	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+K"	38.963158
"751028"	2445.366658	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+K"	38.963158
"1551988"	841.097658	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+K"	38.963158
"309162"	822.119717	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+H+K"	39.970434
"699035"	1223.186967	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+H+K"	39.970434
"1456137"	421.052467	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H+K"	39.970434
"240366"	1646.302826	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+ACN+H"	42.033826
"1215259"	844.168326	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+ACN+H"	42.033826
"1203514"	422.587801	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+ACN+2H"	43.041102
"193469"	1649.24016	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+2Na-H"	44.97116
"630115"	2451.37466	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+2Na-H"	44.97116
"1133014"	847.10566	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2Na-H"	44.97116
"174356"	825.123718	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+2Na"	45.978436
"613552"	1226.190968	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+2Na"	45.978436
"1117425"	424.056468	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2Na"	45.978436
"1406053"	283.040070666667	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H+2Na"	46.985712
"1430068"	849.147246	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H+HCOOH"	47.012746
"220935"	830.15674	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+3H2O+2H"	56.04448
"1511562"	863.19929	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+IsoProp+H"	61.06479
"411981"	833.110688	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+Na+K"	61.952376
"776622"	1234.177938	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+Na+K"	61.952376
"1674049"	432.043438	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Na+K"	61.952376
"260570"	1668.284768	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+ACN+Na"	64.015768
"1229629"	866.150268	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+ACN+Na"	64.015768
"1719978"	866.173793	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+NH4+HCOOH"	64.039293
"1194113"	290.367384666667	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+3Na"	68.967654
"1664947"	871.129188	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Na+HCOOH"	68.994688
"167556"	1681.18804	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+2K-H"	76.91904
"606022"	2483.32254	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+2K-H"	76.91904
"1090535"	879.05354	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2K-H"	76.91904
"146257"	841.097658	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"2M+2K"	77.926316
"589097"	1242.164908	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"3M+2K"	77.926316
"1080170"	440.030408	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2K"	77.926316
"1112286"	881.068092	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2K+H"	78.933592
"1345390"	881.155707	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+DMSO+H"	79.021207
"1013922"	885.194876	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2ACN+H"	83.060376
"1534232"	886.188508	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+IsoProp+Na+H"	84.054008
"998491"	443.101076	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+2ACN+2H"	84.067652
"1590815"	887.103128	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+K+HCOOH"	84.968628
"1424134"	917.134638	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+H+CF3COOH"	115.000138
"1155516"	463.614351	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+3ACN+2H"	125.094202
"1709439"	934.161185	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+NH4+CF3COOH"	132.026685
"1647279"	939.11658	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+Na+CF3COOH"	136.98208
"1581836"	955.09052	"C09064"	"Atractyloside"	"C30H44O16S22K"	"802.1345"	"M+K+CF3COOH"	152.95602
"812200"	562.3506	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M"	0
"985734"	543.33221	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-H2O-H"	-19.01839
"66320"	373.893124	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M-3H"	-3.021828
"514633"	561.343324	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M-3H"	-3.021828
"884780"	186.442924	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-3H"	-3.021828
"12471"	561.343324	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M-2H"	-2.014552
"448383"	842.518624	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M-2H"	-2.014552
"821812"	280.168024	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-2H"	-2.014552
"85084"	1123.693924	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M-H"	-1.007276
"523550"	1686.044524	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M-H"	-1.007276
"901354"	561.343324	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-H"	-1.007276
"55728"	1140.720471	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M-2H+NH4"	16.019271
"498935"	1703.071071	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M-2H+NH4"	16.019271
"876378"	578.369871	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-2H+NH4"	16.019271
"43913"	1145.675866	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M-2H+Na"	20.974666
"484563"	1708.026466	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M-2H+Na"	20.974666
"860912"	583.325266	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-2H+Na"	20.974666
"1621329"	583.325266	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Na-2H"	20.974666
"97858"	579.331663	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M-H+Cl"	33.962126
"542890"	860.506963	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M-H+Cl"	33.962126
"937140"	298.156363	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-H+Cl"	33.962126
"277156"	1159.670602	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+Cl"	34.969402
"664470"	1722.021202	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+Cl"	34.969402
"1281980"	597.320002	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Cl"	34.969402
"22351"	1161.649806	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M-2H+K"	36.948606
"470296"	1724.000406	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M-2H+K"	36.948606
"846280"	599.299206	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-2H+K"	36.948606
"1565396"	599.299206	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+K-2H"	36.948606
"956919"	607.348794	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-H+HCOOH"	44.998194
"375497"	1169.699401	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+HCOOH-H"	44.998201
"354280"	1183.715051	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+Hac-H"	59.013851
"1505300"	621.364451	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Hac-H"	59.013851
"968467"	629.330751	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-H+NaCOOH"	66.980151
"119565"	597.320002	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+2Cl"	69.938804
"559125"	878.495302	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+2Cl"	69.938804
"1030113"	316.144702	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2Cl"	69.938804
"1254062"	641.269485	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Br"	78.918885
"1315416"	643.325472	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Cl+HCOOH"	80.974872
"1324167"	665.307429	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Cl+NaCOOH"	102.956829
"925066"	675.336186	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M-H+CF3COOH"	112.985586
"1297401"	711.312864	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Cl+CF3COOH"	148.962264
"1376657"	527.337924	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H-2H2O"	-35.012676
"1391968"	545.3479	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H-H2O"	-17.0027
"288375"	1125.708476	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+H"	1.007276
"687358"	1688.059076	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+H"	1.007276
"1359334"	563.357876	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H"	1.007276
"138787"	563.357876	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+2H"	2.014552
"577254"	844.533176	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+2H"	2.014552
"1047876"	282.182576	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2H"	2.014552
"219547"	375.907676	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+3H"	3.021828
"657525"	563.357876	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+3H"	3.021828
"1174922"	188.457476	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+3H"	3.021828
"439292"	1142.735023	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+NH4"	18.033823
"797000"	1705.085623	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+NH4"	18.033823
"1695889"	580.384423	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+NH4"	18.033823
"344779"	571.8711495	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+H+NH4"	19.041099
"735858"	853.0464495	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+H+NH4"	19.041099
"1491503"	290.6958495	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H+NH4"	19.041099
"406171"	1147.690418	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+Na"	22.989218
"766435"	1710.041018	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+Na"	22.989218
"1617698"	585.339818	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Na"	22.989218
"327487"	574.348847	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+H+Na"	23.996494
"719179"	855.524147	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+H+Na"	23.996494
"1475553"	293.173547	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H+Na"	23.996494
"1064786"	195.78479	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2H+Na"	25.00377
"1270353"	595.384086	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+CH3OH+H"	33.033486
"387955"	1163.664358	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+K"	38.963158
"752963"	1726.014958	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+K"	38.963158
"1554285"	601.313758	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+K"	38.963158
"311097"	582.335817	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+H+K"	39.970434
"696961"	863.511117	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+H+K"	39.970434
"1454061"	301.160517	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H+K"	39.970434
"243757"	1166.735026	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+ACN+H"	42.033826
"1214275"	604.384426	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+ACN+H"	42.033826
"1197064"	302.695851	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+ACN+2H"	43.041102
"191029"	1169.67236	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+2Na-H"	44.97116
"630223"	1732.02296	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+2Na-H"	44.97116
"1132395"	607.32176	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2Na-H"	44.97116
"174833"	585.339818	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+2Na"	45.978436
"613909"	866.515118	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+2Na"	45.978436
"1116686"	304.164518	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2Na"	45.978436
"1400697"	203.112104	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H+2Na"	46.985712
"1430868"	609.363346	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H+HCOOH"	47.012746
"221047"	590.37284	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+3H2O+2H"	56.04448
"1509607"	623.41539	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+IsoProp+H"	61.06479
"412091"	593.326788	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+Na+K"	61.952376
"775639"	874.502088	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+Na+K"	61.952376
"1674159"	312.151488	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Na+K"	61.952376
"260680"	1188.716968	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+ACN+Na"	64.015768
"1228646"	626.366368	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+ACN+Na"	64.015768
"1720088"	626.389893	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+NH4+HCOOH"	64.039293
"1193100"	210.439418	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+3Na"	68.967654
"1665222"	631.345288	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Na+HCOOH"	68.994688
"167666"	1201.62024	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+2K-H"	76.91904
"602852"	1763.97084	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+2K-H"	76.91904
"1091738"	639.26964	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2K-H"	76.91904
"152928"	601.313758	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"2M+2K"	77.926316
"584835"	882.489058	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"3M+2K"	77.926316
"1081374"	320.138458	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2K"	77.926316
"1110210"	641.284192	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2K+H"	78.933592
"1349876"	641.371807	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+DMSO+H"	79.021207
"1016218"	645.410976	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2ACN+H"	83.060376
"1538231"	646.404608	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+IsoProp+Na+H"	84.054008
"996416"	323.209126	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+2ACN+2H"	84.067652
"1593106"	647.319228	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+K+HCOOH"	84.968628
"1419859"	677.350738	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+H+CF3COOH"	115.000138
"1158907"	343.722401	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+3ACN+2H"	125.094202
"1709550"	694.377285	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+NH4+CF3COOH"	132.026685
"1644109"	699.33268	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+Na+CF3COOH"	136.98208
"1575385"	715.30662	"C09065"	"Baliospermin"	"C32H50O8"	"562.3506"	"M+K+CF3COOH"	152.95602
"803562"	316.2038	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M"	0
"989002"	297.18541	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"68617"	209.795257333333	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"514743"	315.196524	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"891450"	104.393990666667	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"13673"	315.196524	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"449587"	473.298424	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"823017"	157.094624	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"85194"	631.400324	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"529129"	947.604124	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"903652"	315.196524	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"58755"	648.426871	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"500141"	964.630671	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"877581"	332.223071	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"45118"	653.382266	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"485405"	969.586066	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"860651"	337.178466	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1624720"	337.178466	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"97968"	333.184863	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"545186"	491.286763	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"938343"	175.082963	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"276172"	667.377002	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"663487"	983.580802	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1281726"	351.173202	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"23190"	669.356206	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"465302"	985.560006	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"847481"	353.152406	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1570240"	353.152406	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"954475"	361.201994	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"372690"	677.405801	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"357305"	691.421451	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1505044"	375.217651	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"967484"	383.183951	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"119673"	351.173202	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"559235"	509.275102	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1029128"	193.071302	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1251984"	395.122685	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1315526"	397.178672	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1327556"	419.160629	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"919707"	429.189386	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1290219"	465.166064	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1368382"	281.191124	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1386609"	299.2011	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"287389"	633.414876	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"678718"	949.618676	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1359441"	317.211076	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"134524"	317.211076	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"572991"	475.312976	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1047257"	159.109176	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"218438"	211.809809333333	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"654718"	317.211076	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1175032"	106.408542666667	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"438795"	650.441423	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"793831"	966.645223	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1690162"	334.237623	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"342453"	325.7243495	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"734145"	483.8262495	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1492590"	167.6224495	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"407010"	655.396818	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"769344"	971.600618	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1617811"	339.193018	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"328936"	328.202047	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"722210"	486.303947	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1476282"	170.100147	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1067813"	113.735856666667	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1271924"	349.237286	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"392075"	671.370758	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"752954"	987.574558	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1553915"	355.166958	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"311938"	336.189017	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"699257"	494.290917	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1455263"	178.087117	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"244959"	674.441426	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1215479"	358.237626	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1201548"	179.622451	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"191139"	677.37876	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"631790"	993.58256	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1132381"	361.17496	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"173971"	339.193018	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"613290"	497.294918	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1116553"	181.091118	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1399835"	121.063170666667	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1431830"	363.216546	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"222615"	344.22604	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1512875"	377.26859	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"411837"	347.179988	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"775749"	505.281888	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1674269"	189.078088	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"260790"	696.423368	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1229121"	380.219568	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1720198"	380.243093	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1191392"	128.390484666667	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1659821"	385.198488	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"165589"	709.32664	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"602962"	1025.53044	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1094035"	393.12284	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"150852"	355.166958	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"586039"	513.268858	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1078205"	197.065058	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1107041"	395.137392	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1349627"	395.225007	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1017421"	399.264176	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1539519"	400.257808	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"996527"	200.135726	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1595403"	401.172428	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1423250"	431.203938	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1155736"	220.649001	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1706380"	448.230485	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1649646"	453.18588	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1575495"	469.15982	"C09066"	"Cafestol"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"812420"	332.1988	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M"	0
"982673"	313.18041	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"76385"	220.458590666667	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"514853"	331.191524	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"888281"	109.725657333333	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"9042"	331.191524	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"447511"	497.290924	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"819847"	165.092124	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"85306"	663.390324	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"529240"	995.589124	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"905949"	331.191524	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"58506"	680.416871	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"496609"	1012.615671	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"874410"	348.218071	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"43768"	685.372266	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"484792"	1017.571066	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"862951"	353.173466	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1624830"	353.173466	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"103546"	349.179863	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"543112"	515.279263	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"934443"	183.080463	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"275188"	699.367002	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"669798"	1031.565802	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1281108"	367.168202	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"26945"	701.346206	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"470275"	1033.545006	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"848310"	369.147406	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1566702"	369.147406	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"954953"	377.196994	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"372075"	709.395801	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"353404"	723.411451	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1505157"	391.212651	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"967595"	399.178951	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"111761"	367.168202	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"552052"	533.267602	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1027413"	201.068802	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1252094"	411.117685	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1315638"	413.173672	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1325480"	435.155629	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"914353"	445.184386	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1290328"	481.161064	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1369584"	297.186124	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1390002"	315.1961	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"292969"	665.404876	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"688673"	997.603676	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1363930"	333.206076	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"139007"	333.206076	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"573100"	499.305476	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1050283"	167.106676	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"216362"	222.473142666667	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"659409"	333.206076	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1174049"	111.740209333333	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"438050"	682.431423	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"801309"	1014.630223	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1696555"	350.232623	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"343656"	341.7193495	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"738146"	507.8187495	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1492330"	175.6199495	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"408408"	687.386818	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"769931"	1019.585618	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1618240"	355.188018	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"329049"	344.197047	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"721347"	510.296447	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1475412"	178.097647	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1065376"	119.067523333333	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1271915"	365.232286	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"391950"	703.360758	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"747719"	1035.559558	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1549772"	371.161958	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"309132"	352.184017	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"693898"	518.283417	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1448810"	186.084617	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"237775"	706.431426	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1211213"	374.232626	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1196555"	187.619951	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"190156"	709.36876	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"629835"	1041.56756	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1132856"	377.16996	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"173713"	355.188018	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"614984"	521.287418	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1117396"	189.088618	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1402012"	126.394837333333	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1430358"	379.211546	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"220908"	360.22104	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1516267"	393.26359	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"410854"	363.174988	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"775859"	529.274388	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1671100"	197.075588	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"257620"	728.413368	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1231422"	396.214568	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1719215"	396.238093	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1190038"	133.722151333333	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1659931"	401.193488	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"165700"	741.31664	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"605260"	1073.51544	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1095241"	409.11784	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"154610"	371.161958	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"586152"	537.261358	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1079411"	205.062558	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1109340"	411.132392	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1344631"	411.220007	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1018625"	415.259176	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1536749"	416.252808	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"999919"	208.133226	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1597703"	417.167428	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1426642"	447.198938	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1155836"	228.646501	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1703202"	464.225485	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1647609"	469.18088	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1575605"	485.15482	"C09067"	"Callicarpone"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"809249"	608.2985	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M"	0
"987157"	589.28011	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-H2O-H"	-19.01839
"74308"	404.525057333333	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M-3H"	-3.021828
"513870"	607.291224	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M-3H"	-3.021828
"892764"	201.758890666667	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-3H"	-3.021828
"10248"	607.291224	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M-2H"	-2.014552
"446527"	911.440474	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M-2H"	-2.014552
"826519"	303.141974	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-2H"	-2.014552
"84327"	1215.589724	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M-H"	-1.007276
"527167"	1823.888224	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M-H"	-1.007276
"903873"	607.291224	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-H"	-1.007276
"53874"	1232.616271	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M-2H+NH4"	16.019271
"497807"	1840.914771	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M-2H+NH4"	16.019271
"876706"	624.317771	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-2H+NH4"	16.019271
"41327"	1237.571666	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M-2H+Na"	20.974666
"479794"	1845.870166	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M-2H+Na"	20.974666
"859783"	629.273166	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-2H+Na"	20.974666
"1624939"	629.273166	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Na-2H"	20.974666
"101470"	625.279563	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M-H+Cl"	33.962126
"538846"	929.428813	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M-H+Cl"	33.962126
"934553"	321.130313	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-H+Cl"	33.962126
"270194"	1251.566402	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+Cl"	34.969402
"664440"	1859.864902	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+Cl"	34.969402
"1284134"	643.267902	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Cl"	34.969402
"31033"	1253.545606	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M-2H+K"	36.948606
"471118"	1861.844106	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M-2H+K"	36.948606
"847341"	645.247106	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-2H+K"	36.948606
"1570094"	645.247106	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+K-2H"	36.948606
"957250"	653.296694	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-H+HCOOH"	44.998194
"375465"	1261.595201	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+HCOOH-H"	44.998201
"354245"	1275.610851	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+Hac-H"	59.013851
"1503083"	667.312351	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Hac-H"	59.013851
"968801"	675.278651	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-H+NaCOOH"	66.980151
"116613"	643.267902	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+2Cl"	69.938804
"551189"	947.417152	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+2Cl"	69.938804
"1029347"	339.118652	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2Cl"	69.938804
"1251111"	687.217385	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Br"	78.918885
"1316477"	689.273372	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Cl+HCOOH"	80.974872
"1321580"	711.255329	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Cl+NaCOOH"	102.956829
"914097"	721.284086	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M-H+CF3COOH"	112.985586
"1288979"	757.260764	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Cl+CF3COOH"	148.962264
"1371153"	573.285824	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H-2H2O"	-35.012676
"1384644"	591.2958	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H-H2O"	-17.0027
"294173"	1217.604276	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+H"	1.007276
"688785"	1825.902776	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+H"	1.007276
"1361852"	609.305776	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H"	1.007276
"136930"	609.305776	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+2H"	2.014552
"572116"	913.455026	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+2H"	2.014552
"1044196"	305.156526	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2H"	2.014552
"215376"	406.539609333333	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+3H"	3.021828
"654940"	609.305776	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+3H"	3.021828
"1175250"	203.773442666667	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+3H"	3.021828
"434150"	1234.630823	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+NH4"	18.033823
"795144"	1842.929323	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+NH4"	18.033823
"1693300"	626.332323	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+NH4"	18.033823
"341579"	617.8190495	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+H+NH4"	19.041099
"736551"	921.9682995	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+H+NH4"	19.041099
"1489278"	313.6697995	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H+NH4"	19.041099
"405769"	1239.586218	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+Na"	22.989218
"768588"	1847.884718	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+Na"	22.989218
"1617538"	631.287718	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Na"	22.989218
"328428"	620.296747	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+H+Na"	23.996494
"718415"	924.445997	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+H+Na"	23.996494
"1475392"	316.147497	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H+Na"	23.996494
"1065479"	211.100756666667	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2H+Na"	25.00377
"1268252"	641.331986	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+CH3OH+H"	33.033486
"389015"	1255.560158	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+K"	38.963158
"748920"	1863.858658	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+K"	38.963158
"1548788"	647.261658	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+K"	38.963158
"307055"	628.283717	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+H+K"	39.970434
"694372"	932.432967	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+H+K"	39.970434
"1447827"	324.134467	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H+K"	39.970434
"237158"	1258.630826	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+ACN+H"	42.033826
"1212053"	650.332326	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+ACN+H"	42.033826
"1195326"	325.669801	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+ACN+2H"	43.041102
"192085"	1261.56816	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+2Na-H"	44.97116
"629580"	1869.86666	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+2Na-H"	44.97116
"1133449"	653.26966	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2Na-H"	44.97116
"174310"	631.287718	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+2Na"	45.978436
"613628"	935.436968	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+2Na"	45.978436
"1118600"	327.138468	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2Na"	45.978436
"1401032"	218.428070666667	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H+2Na"	46.985712
"1430715"	655.311246	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H+HCOOH"	47.012746
"220652"	636.32074	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+3H2O+2H"	56.04448
"1514190"	669.36329	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+IsoProp+H"	61.06479
"412785"	639.274688	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+Na+K"	61.952376
"775969"	943.423938	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+Na+K"	61.952376
"1674490"	335.125438	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Na+K"	61.952376
"258823"	1280.612768	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+ACN+Na"	64.015768
"1237000"	672.314268	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+ACN+Na"	64.015768
"1725888"	672.337793	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+NH4+HCOOH"	64.039293
"1187961"	225.755384666667	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+3Na"	68.967654
"1661135"	677.293188	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Na+HCOOH"	68.994688
"161435"	1293.51604	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+2K-H"	76.91904
"603183"	1901.81454	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+2K-H"	76.91904
"1092068"	685.21754	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2K-H"	76.91904
"148886"	647.261658	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"2M+2K"	77.926316
"587354"	951.410908	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"3M+2K"	77.926316
"1077334"	343.112408	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2K"	77.926316
"1112729"	687.232092	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2K+H"	78.933592
"1346926"	687.319707	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+DMSO+H"	79.021207
"1018735"	691.358876	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2ACN+H"	83.060376
"1529207"	692.352508	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+IsoProp+Na+H"	84.054008
"994561"	346.183076	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+2ACN+2H"	84.067652
"1595623"	693.267128	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+K+HCOOH"	84.968628
"1423472"	723.298638	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+H+CF3COOH"	115.000138
"1155948"	366.696351	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+3ACN+2H"	125.094202
"1703312"	740.325185	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+NH4+CF3COOH"	132.026685
"1635686"	745.28058	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+Na+CF3COOH"	136.98208
"1572435"	761.25452	"C09068"	"Candletoxin A"	"C35H44O9"	"608.2985"	"M+K+CF3COOH"	152.95602
"809360"	330.1831	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M"	0
"986174"	311.16471	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-H2O-H"	-19.01839
"74417"	219.114790666667	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M-3H"	-3.021828
"518314"	329.175824	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M-3H"	-3.021828
"895555"	109.053757333333	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-3H"	-3.021828
"14735"	329.175824	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M-2H"	-2.014552
"454292"	494.267374	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M-2H"	-2.014552
"826627"	164.084274	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-2H"	-2.014552
"88811"	659.358924	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M-H"	-1.007276
"528372"	989.542024	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M-H"	-1.007276
"905080"	329.175824	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-H"	-1.007276
"56173"	676.385471	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M-2H+NH4"	16.019271
"497920"	1006.568571	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M-2H+NH4"	16.019271
"877910"	346.202371	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-2H+NH4"	16.019271
"43626"	681.340866	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M-2H+Na"	20.974666
"483185"	1011.523966	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M-2H+Na"	20.974666
"858799"	351.157766	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-2H+Na"	20.974666
"1628330"	351.157766	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Na-2H"	20.974666
"98300"	347.164163	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M-H+Cl"	33.962126
"541144"	512.255713	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M-H+Cl"	33.962126
"932476"	182.072613	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-H+Cl"	33.962126
"270667"	695.335602	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+Cl"	34.969402
"671111"	1025.518702	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+Cl"	34.969402
"1288014"	365.152502	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Cl"	34.969402
"31399"	697.314806	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M-2H+K"	36.948606
"470379"	1027.497906	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M-2H+K"	36.948606
"845993"	367.131706	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-2H+K"	36.948606
"1570206"	367.131706	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+K-2H"	36.948606
"957930"	375.181294	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-H+HCOOH"	44.998194
"376510"	705.364401	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+HCOOH-H"	44.998201
"353624"	719.380051	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+Hac-H"	59.013851
"1499177"	389.196951	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Hac-H"	59.013851
"970730"	397.163251	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-H+NaCOOH"	66.980151
"114538"	365.152502	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+2Cl"	69.938804
"551912"	530.244052	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+2Cl"	69.938804
"1029459"	200.060952	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2Cl"	69.938804
"1253045"	409.101985	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Br"	78.918885
"1318045"	411.157972	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Cl+HCOOH"	80.974872
"1321329"	433.139929	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Cl+NaCOOH"	102.956829
"914574"	443.168686	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M-H+CF3COOH"	112.985586
"1297841"	479.145364	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Cl+CF3COOH"	148.962264
"1370536"	295.170424	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H-2H2O"	-35.012676
"1384024"	313.1804	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H-H2O"	-17.0027
"293190"	661.373476	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+H"	1.007276
"688530"	991.556576	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+H"	1.007276
"1365242"	331.190376	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H"	1.007276
"137039"	331.190376	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+2H"	2.014552
"575505"	496.281926	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+2H"	2.014552
"1047586"	166.098826	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2H"	2.014552
"218404"	221.129342666667	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+3H"	3.021828
"655050"	331.190376	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+3H"	3.021828
"1173175"	111.068309333333	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+3H"	3.021828
"437906"	678.400023	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+NH4"	18.033823
"798534"	1008.583123	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+NH4"	18.033823
"1694505"	348.216923	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+NH4"	18.033823
"344607"	339.7036495	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+H+NH4"	19.041099
"738122"	504.7951995	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+H+NH4"	19.041099
"1491574"	174.6120995	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H+NH4"	19.041099
"406973"	683.355418	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+Na"	22.989218
"769509"	1013.538518	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+Na"	22.989218
"1617889"	353.172318	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Na"	22.989218
"329759"	342.181347	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+H+Na"	23.996494
"721442"	507.272897	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+H+Na"	23.996494
"1475991"	177.089797	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H+Na"	23.996494
"1065593"	118.395623333333	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2H+Na"	25.00377
"1267270"	363.216586	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+CH3OH+H"	33.033486
"390222"	699.329358	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+K"	38.963158
"750127"	1029.512458	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+K"	38.963158
"1549990"	369.146258	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+K"	38.963158
"303886"	350.168317	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+H+K"	39.970434
"695213"	515.259867	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+H+K"	39.970434
"1449033"	185.076767	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H+K"	39.970434
"238727"	702.400026	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+ACN+H"	42.033826
"1212531"	372.216926	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+ACN+H"	42.033826
"1196413"	186.612101	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+ACN+2H"	43.041102
"190378"	705.33736	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+2Na-H"	44.97116
"628613"	1035.52046	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+2Na-H"	44.97116
"1132712"	375.15426	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2Na-H"	44.97116
"173818"	353.172318	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+2Na"	45.978436
"613010"	518.263868	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+2Na"	45.978436
"1120899"	188.080768	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2Na"	45.978436
"1404786"	125.722937333333	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H+2Na"	46.985712
"1431434"	377.195846	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H+HCOOH"	47.012746
"220760"	358.20534	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+3H2O+2H"	56.04448
"1518673"	391.24789	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+IsoProp+H"	61.06479
"413990"	361.159288	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+Na+K"	61.952376
"773892"	526.250838	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+Na+K"	61.952376
"1672413"	196.067738	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Na+K"	61.952376
"258933"	724.381968	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+ACN+Na"	64.015768
"1233830"	394.198868	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+ACN+Na"	64.015768
"1721623"	394.222393	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+NH4+HCOOH"	64.039293
"1190257"	133.050251333333	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+3Na"	68.967654
"1665255"	399.177788	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Na+HCOOH"	68.994688
"170292"	737.28524	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+2K-H"	76.91904
"609854"	1067.46834	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+2K-H"	76.91904
"1096553"	407.10214	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2K-H"	76.91904
"154462"	369.146258	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"2M+2K"	77.926316
"592930"	534.237808	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"3M+2K"	77.926316
"1074162"	204.054708	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2K"	77.926316
"1112837"	409.116692	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2K+H"	78.933592
"1348128"	409.204307	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+DMSO+H"	79.021207
"1015564"	413.243476	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2ACN+H"	83.060376
"1530410"	414.237108	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+IsoProp+Na+H"	84.054008
"995764"	207.125376	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+2ACN+2H"	84.067652
"1593546"	415.151728	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+K+HCOOH"	84.968628
"1422488"	445.183238	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+H+CF3COOH"	115.000138
"1156058"	227.638651	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+3ACN+2H"	125.094202
"1703422"	462.209785	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+NH4+CF3COOH"	132.026685
"1636521"	467.16518	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+Na+CF3COOH"	136.98208
"1573638"	483.13912	"C09069"	"Carnosol"	"C20H26O4"	"330.1831"	"M+K+CF3COOH"	152.95602
"802909"	492.2359	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M"	0
"984097"	473.21751	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-H2O-H"	-19.01839
"74527"	327.149990666667	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M-3H"	-3.021828
"509713"	491.228624	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M-3H"	-3.021828
"884234"	163.071357333333	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-3H"	-3.021828
"7185"	491.228624	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M-2H"	-2.014552
"453308"	737.346574	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M-2H"	-2.014552
"826737"	245.110674	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-2H"	-2.014552
"88921"	983.464524	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M-H"	-1.007276
"529574"	1475.700424	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M-H"	-1.007276
"906283"	491.228624	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-H"	-1.007276
"55189"	1000.491071	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M-2H+NH4"	16.019271
"498030"	1492.726971	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M-2H+NH4"	16.019271
"874738"	508.255171	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-2H+NH4"	16.019271
"42638"	1005.446466	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M-2H+Na"	20.974666
"481107"	1497.682366	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M-2H+Na"	20.974666
"860002"	513.210566	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-2H+Na"	20.974666
"1621880"	513.210566	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Na-2H"	20.974666
"97315"	509.216963	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M-H+Cl"	33.962126
"536879"	755.334913	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M-H+Cl"	33.962126
"927356"	263.099013	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-H+Cl"	33.962126
"267327"	1019.441202	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+Cl"	34.969402
"663564"	1511.677102	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+Cl"	34.969402
"1283625"	527.205302	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Cl"	34.969402
"30805"	1021.420406	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M-2H+K"	36.948606
"470363"	1513.656306	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M-2H+K"	36.948606
"847804"	529.184506	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-2H+K"	36.948606
"1567762"	529.184506	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+K-2H"	36.948606
"950542"	537.234094	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-H+HCOOH"	44.998194
"372038"	1029.470001	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+HCOOH-H"	44.998201
"353735"	1043.485651	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+Hac-H"	59.013851
"1500381"	551.249751	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Hac-H"	59.013851
"963549"	559.216051	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-H+NaCOOH"	66.980151
"122298"	527.205302	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+2Cl"	69.938804
"561860"	773.323252	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+2Cl"	69.938804
"1034303"	281.087352	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2Cl"	69.938804
"1251330"	571.154785	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Br"	78.918885
"1314872"	573.210772	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Cl+HCOOH"	80.974872
"1320140"	595.192729	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Cl+NaCOOH"	102.956829
"912618"	605.221486	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M-H+CF3COOH"	112.985586
"1294671"	641.198164	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Cl+CF3COOH"	148.962264
"1370645"	457.223224	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H-2H2O"	-35.012676
"1385957"	475.2332	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H-H2O"	-17.0027
"287833"	985.479076	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+H"	1.007276
"684629"	1477.714976	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+H"	1.007276
"1359885"	493.243176	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H"	1.007276
"137149"	493.243176	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+2H"	2.014552
"577803"	739.361126	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+2H"	2.014552
"1046602"	247.125226	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2H"	2.014552
"217784"	329.164542666667	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+3H"	3.021828
"654066"	493.243176	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+3H"	3.021828
"1173286"	165.085909333333	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+3H"	3.021828
"434371"	1002.505623	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+NH4"	18.033823
"797551"	1494.741523	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+NH4"	18.033823
"1695222"	510.269723	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+NH4"	18.033823
"345450"	501.7564495	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+H+NH4"	19.041099
"738342"	747.8743995	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+H+NH4"	19.041099
"1490591"	255.6384995	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H+NH4"	19.041099
"405990"	1007.461018	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+Na"	22.989218
"768077"	1499.696918	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+Na"	22.989218
"1616905"	515.225118	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Na"	22.989218
"327307"	504.234147	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+H+Na"	23.996494
"718634"	750.352097	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+H+Na"	23.996494
"1472455"	258.116197	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H+Na"	23.996494
"1065703"	172.413223333333	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2H+Na"	25.00377
"1267380"	525.269386	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+CH3OH+H"	33.033486
"389239"	1023.434958	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+K"	38.963158
"749143"	1515.670858	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+K"	38.963158
"1551193"	531.199058	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+K"	38.963158
"303998"	512.221117	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+H+K"	39.970434
"697510"	758.339067	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+H+K"	39.970434
"1446592"	266.103167	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H+K"	39.970434
"239933"	1026.505626	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+ACN+H"	42.033826
"1212641"	534.269726	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+ACN+H"	42.033826
"1194498"	267.638501	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+ACN+2H"	43.041102
"188618"	1029.44296	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+2Na-H"	44.97116
"628559"	1521.67886	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+2Na-H"	44.97116
"1133912"	537.20706	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2Na-H"	44.97116
"173196"	515.225118	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+2Na"	45.978436
"612998"	761.343068	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+2Na"	45.978436
"1118457"	269.107168	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2Na"	45.978436
"1404896"	179.740537333333	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H+2Na"	46.985712
"1430124"	539.248646	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H+HCOOH"	47.012746
"219988"	520.25814	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+3H2O+2H"	56.04448
"1518783"	553.30069	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+IsoProp+H"	61.06479
"411912"	523.212088	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+Na+K"	61.952376
"772542"	769.330038	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+Na+K"	61.952376
"1667415"	277.094138	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Na+K"	61.952376
"263415"	1048.487568	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+ACN+Na"	64.015768
"1235032"	556.251668	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+ACN+Na"	64.015768
"1721733"	556.275193	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+NH4+HCOOH"	64.039293
"1188180"	187.067851333333	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+3Na"	68.967654
"1665325"	561.230588	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Na+HCOOH"	68.994688
"169309"	1061.39084	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+2K-H"	76.91904
"605590"	1553.62674	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+2K-H"	76.91904
"1095570"	569.15494	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2K-H"	76.91904
"154572"	531.199058	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"2M+2K"	77.926316
"593039"	777.317008	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"3M+2K"	77.926316
"1073542"	285.081108	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2K"	77.926316
"1109667"	571.169492	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2K+H"	78.933592
"1343864"	571.257107	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+DMSO+H"	79.021207
"1011301"	575.296276	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2ACN+H"	83.060376
"1532707"	576.289908	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+IsoProp+Na+H"	84.054008
"994779"	288.151776	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+2ACN+2H"	84.067652
"1593656"	577.204528	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+K+HCOOH"	84.968628
"1421505"	607.236038	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+H+CF3COOH"	115.000138
"1152888"	308.665051	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+3ACN+2H"	125.094202
"1703532"	624.262585	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+NH4+CF3COOH"	132.026685
"1635173"	629.21798	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+Na+CF3COOH"	136.98208
"1575934"	645.19192	"C09070"	"Caryoptin"	"C26H36O9"	"492.2359"	"M+K+CF3COOH"	152.95602
"804113"	408.2148	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M"	0
"976551"	389.19641	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-H2O-H"	-19.01839
"69171"	271.135924	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M-3H"	-3.021828
"509826"	407.207524	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M-3H"	-3.021828
"887627"	135.064324	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-3H"	-3.021828
"10579"	407.207524	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M-2H"	-2.014552
"449045"	611.314924	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M-2H"	-2.014552
"824661"	203.100124	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-2H"	-2.014552
"89031"	815.422324	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M-H"	-1.007276
"525310"	1223.637124	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M-H"	-1.007276
"903112"	407.207524	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-H"	-1.007276
"54206"	832.448871	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M-2H+NH4"	16.019271
"497775"	1240.663671	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M-2H+NH4"	16.019271
"873755"	424.234071	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-2H+NH4"	16.019271
"40561"	837.404266	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M-2H+Na"	20.974666
"482307"	1245.619066	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M-2H+Na"	20.974666
"848602"	429.189466	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-2H+Na"	20.974666
"1618746"	429.189466	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Na-2H"	20.974666
"94754"	425.195863	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M-H+Cl"	33.962126
"536627"	629.303263	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M-H+Cl"	33.962126
"927258"	221.088463	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-H+Cl"	33.962126
"269429"	851.399002	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+Cl"	34.969402
"669144"	1259.613802	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+Cl"	34.969402
"1282641"	443.184202	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Cl"	34.969402
"24105"	853.378206	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M-2H+K"	36.948606
"470475"	1261.593006	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M-2H+K"	36.948606
"844749"	445.163406	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-2H+K"	36.948606
"1566050"	445.163406	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+K-2H"	36.948606
"952840"	453.212994	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-H+HCOOH"	44.998194
"374336"	861.427801	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+HCOOH-H"	44.998201
"353846"	875.443451	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+Hac-H"	59.013851
"1496479"	467.228651	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Hac-H"	59.013851
"965846"	475.194951	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-H+NaCOOH"	66.980151
"120221"	443.184202	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+2Cl"	69.938804
"561241"	647.291602	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+2Cl"	69.938804
"1034052"	239.076802	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2Cl"	69.938804
"1252900"	487.133685	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Br"	78.918885
"1314984"	489.189672	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Cl+HCOOH"	80.974872
"1320817"	511.171629	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Cl+NaCOOH"	102.956829
"913700"	521.200386	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M-H+CF3COOH"	112.985586
"1292597"	557.177064	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Cl+CF3COOH"	148.962264
"1375129"	373.202124	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H-2H2O"	-35.012676
"1393720"	391.2121	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H-H2O"	-17.0027
"292313"	817.436876	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+H"	1.007276
"683641"	1225.651676	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+H"	1.007276
"1358902"	409.222076	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H"	1.007276
"133977"	409.222076	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+2H"	2.014552
"580791"	613.329476	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+2H"	2.014552
"1049628"	205.114676	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2H"	2.014552
"219236"	273.150476	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+3H"	3.021828
"657091"	409.222076	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+3H"	3.021828
"1176313"	137.078876	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+3H"	3.021828
"434481"	834.463423	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+NH4"	18.033823
"800460"	1242.678223	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+NH4"	18.033823
"1694359"	426.248623	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+NH4"	18.033823
"343000"	417.7353495	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+H+NH4"	19.041099
"737245"	621.8427495	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+H+NH4"	19.041099
"1492162"	213.6279495	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H+NH4"	19.041099
"405735"	839.418818	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+Na"	22.989218
"767094"	1247.633618	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+Na"	22.989218
"1617503"	431.204018	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Na"	22.989218
"328388"	420.213047	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+H+Na"	23.996494
"718744"	624.320447	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+H+Na"	23.996494
"1466366"	216.105647	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H+Na"	23.996494
"1062527"	144.40619	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2H+Na"	25.00377
"1264210"	441.248286	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+CH3OH+H"	33.033486
"391169"	855.392758	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+K"	38.963158
"747067"	1263.607558	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+K"	38.963158
"1552398"	447.177958	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+K"	38.963158
"303013"	428.200017	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+H+K"	39.970434
"694341"	632.307417	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+H+K"	39.970434
"1448161"	224.092617	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H+K"	39.970434
"238949"	858.463426	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+ACN+H"	42.033826
"1210929"	450.248626	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+ACN+H"	42.033826
"1194645"	225.627951	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+ACN+2H"	43.041102
"189741"	861.40076	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+2Na-H"	44.97116
"630881"	1269.61556	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+2Na-H"	44.97116
"1134021"	453.18596	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2Na-H"	44.97116
"174036"	431.204018	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+2Na"	45.978436
"613269"	635.311418	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+2Na"	45.978436
"1117473"	227.096618	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2Na"	45.978436
"1401726"	151.733504	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H+2Na"	46.985712
"1430921"	455.227546	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H+HCOOH"	47.012746
"227552"	436.23704	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+3H2O+2H"	56.04448
"1512334"	469.27959	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+IsoProp+H"	61.06479
"412023"	439.190988	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+Na+K"	61.952376
"771921"	643.298388	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+Na+K"	61.952376
"1668255"	235.083588	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Na+K"	61.952376
"254776"	880.445368	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+ACN+Na"	64.015768
"1234049"	472.230568	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+ACN+Na"	64.015768
"1717468"	472.254093	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+NH4+HCOOH"	64.039293
"1188290"	159.060818	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+3Na"	68.967654
"1664747"	477.209488	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Na+HCOOH"	68.994688
"170512"	893.34864	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+2K-H"	76.91904
"606793"	1301.56344	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+2K-H"	76.91904
"1095679"	485.13384	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2K-H"	76.91904
"153587"	447.177958	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"2M+2K"	77.926316
"592054"	651.285358	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"3M+2K"	77.926316
"1074381"	243.070558	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2K"	77.926316
"1111963"	487.148392	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2K+H"	78.933592
"1349441"	487.236007	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+DMSO+H"	79.021207
"1019065"	491.275176	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2ACN+H"	83.060376
"1538163"	492.268808	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+IsoProp+Na+H"	84.054008
"1003273"	246.141226	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+2ACN+2H"	84.067652
"1599233"	493.183428	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+K+HCOOH"	84.968628
"1423801"	523.214938	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+H+CF3COOH"	115.000138
"1152995"	266.654501	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+3ACN+2H"	125.094202
"1701460"	540.241485	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+NH4+CF3COOH"	132.026685
"1638204"	545.19688	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+Na+CF3COOH"	136.98208
"1574951"	561.17082	"C09071"	"Cascarillin"	"C22H32O7"	"408.2148"	"M+K+CF3COOH"	152.95602
"804224"	306.2559	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M"	0
"983226"	287.23751	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"72561"	203.163324	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"507748"	305.248624	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"891021"	101.078024	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"10689"	305.248624	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"449156"	458.376574	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"824771"	152.120674	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"88048"	611.504524	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"528700"	917.760424	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"905409"	305.248624	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"54316"	628.531071	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"496061"	934.786971	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"876051"	322.275171	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"39576"	633.486466	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"471885"	939.742366	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"848914"	327.230566	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1619174"	327.230566	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"96445"	323.236963	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"534464"	476.364913	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"927369"	170.109013	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"272455"	647.481202	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"669255"	953.737102	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1280564"	341.225302	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"18014"	649.460406	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"461222"	955.716306	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"840484"	343.204506	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1559593"	343.204506	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"948936"	351.254094	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"365326"	657.510001	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"351768"	671.525651	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1498414"	365.269751	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"964493"	373.236051	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"115225"	341.225302	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"555514"	494.353252	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1024310"	188.097352	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1253373"	385.174785	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1312905"	387.230772	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1328217"	409.212729	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"920369"	419.241486	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1292336"	455.218164	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1371957"	271.243224	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1387631"	289.2532	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"286588"	613.519076	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"685940"	919.774976	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1361197"	307.263176	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"136273"	307.263176	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"579117"	460.391126	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1052289"	154.135226	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"219626"	205.177876	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"659513"	307.263176	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1176787"	103.092576	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"436777"	630.545623	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"800815"	936.801523	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1696291"	324.289723	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"345308"	315.7764495	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"737845"	468.9043995	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1492399"	162.6484995	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"408119"	635.501018	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"769803"	941.756918	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1617613"	329.245118	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"327524"	318.254147	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"714482"	471.382097	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1467208"	165.126197	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1062638"	110.41989	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1266506"	339.289386	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"389456"	651.474958	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"752639"	957.730858	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1547040"	345.219058	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"304217"	326.241117	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"699919"	479.369067	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1448272"	173.113167	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"239060"	654.545626	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1212860"	348.289726	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1195770"	174.648501	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"189736"	657.48296	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"629413"	963.73886	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1132069"	351.22706	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"174272"	329.245118	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"613953"	482.373068	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1116077"	176.117168	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1401835"	117.747204	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1433589"	353.268646	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"227660"	334.27814	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1513537"	367.32069	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"416504"	337.232088	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"778595"	490.360038	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1671645"	184.104138	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"254884"	676.527568	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1231967"	370.271668	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1726324"	370.295193	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1192772"	125.074518	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1661571"	375.250588	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"169526"	689.43084	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"610183"	995.68674	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1097489"	383.17494	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"154427"	345.219058	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"595323"	498.347008	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1082388"	192.091108	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1113045"	385.189492	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1349797"	385.277107	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1018079"	389.316276	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1530739"	390.309908	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"997186"	195.161776	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1600437"	391.224528	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1415405"	421.256038	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1147177"	215.675051	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1707039"	438.282585	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1649253"	443.23798	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1577248"	459.21192	"C09072"	"2711-Cembratrien-46-diol"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"806519"	374.1366	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M"	0
"982243"	355.11821	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-H2O-H"	-19.01839
"72671"	248.417124	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M-3H"	-3.021828
"508951"	373.129324	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M-3H"	-3.021828
"893317"	123.704924	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-3H"	-3.021828
"14079"	373.129324	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M-2H"	-2.014552
"454369"	560.197624	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M-2H"	-2.014552
"828162"	186.061024	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-2H"	-2.014552
"89251"	747.265924	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M-H"	-1.007276
"529539"	1121.402524	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M-H"	-1.007276
"903331"	373.129324	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-H"	-1.007276
"52239"	764.292471	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M-2H+NH4"	16.019271
"496172"	1138.429071	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M-2H+NH4"	16.019271
"876161"	390.155871	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-2H+NH4"	16.019271
"42966"	769.247866	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M-2H+Na"	20.974666
"472198"	1143.384466	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M-2H+Na"	20.974666
"849879"	395.111266	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-2H+Na"	20.974666
"1619080"	395.111266	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Na-2H"	20.974666
"96555"	391.117663	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M-H+Cl"	33.962126
"537211"	578.185963	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M-H+Cl"	33.962126
"927807"	204.049363	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-H+Cl"	33.962126
"271836"	783.242602	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+Cl"	34.969402
"669365"	1157.379202	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+Cl"	34.969402
"1274839"	409.106002	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Cl"	34.969402
"22139"	785.221806	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M-2H+K"	36.948606
"464981"	1159.358406	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M-2H+K"	36.948606
"841687"	411.085206	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-2H+K"	36.948606
"1568457"	411.085206	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+K-2H"	36.948606
"953787"	419.134794	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-H+HCOOH"	44.998194
"369089"	793.271401	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+HCOOH-H"	44.998201
"352972"	807.287051	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+Hac-H"	59.013851
"1500711"	433.150451	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Hac-H"	59.013851
"964971"	441.116751	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-H+NaCOOH"	66.980151
"116064"	409.106002	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+2Cl"	69.938804
"557811"	596.174302	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+2Cl"	69.938804
"1025152"	222.037702	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2Cl"	69.938804
"1253844"	453.055485	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Br"	78.918885
"1314106"	455.111472	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Cl+HCOOH"	80.974872
"1323589"	477.093429	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Cl+NaCOOH"	102.956829
"916470"	487.122186	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M-H+CF3COOH"	112.985586
"1292813"	523.098864	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Cl+CF3COOH"	148.962264
"1376442"	339.123924	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H-2H2O"	-35.012676
"1395032"	357.1339	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H-H2O"	-17.0027
"285970"	749.280476	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+H"	1.007276
"684955"	1123.417076	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+H"	1.007276
"1366653"	375.143876	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H"	1.007276
"138939"	375.143876	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+2H"	2.014552
"581241"	562.212176	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+2H"	2.014552
"1052402"	188.075576	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2H"	2.014552
"219458"	250.431676	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+3H"	3.021828
"658411"	375.143876	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+3H"	3.021828
"1176535"	125.719476	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+3H"	3.021828
"438710"	766.307023	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+NH4"	18.033823
"801168"	1140.443623	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+NH4"	18.033823
"1696894"	392.170423	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+NH4"	18.033823
"345463"	383.6571495	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+H+NH4"	19.041099
"737957"	570.7254495	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+H+NH4"	19.041099
"1492387"	196.5888495	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H+NH4"	19.041099
"408461"	771.262418	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+Na"	22.989218
"769468"	1145.399018	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+Na"	22.989218
"1616504"	397.125818	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Na"	22.989218
"326176"	386.134847	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+H+Na"	23.996494
"715685"	573.203147	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+H+Na"	23.996494
"1470598"	199.066547	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H+Na"	23.996494
"1060561"	133.04679	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2H+Na"	25.00377
"1264428"	407.170086	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+CH3OH+H"	33.033486
"384097"	787.236358	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+K"	38.963158
"751655"	1161.372958	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+K"	38.963158
"1549337"	413.099758	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+K"	38.963158
"299953"	394.121817	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+H+K"	39.970434
"695655"	581.190117	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+H+K"	39.970434
"1448380"	207.053517	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H+K"	39.970434
"239168"	790.307026	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+ACN+H"	42.033826
"1211878"	416.170426	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+ACN+H"	42.033826
"1194421"	208.588851	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+ACN+2H"	43.041102
"190088"	793.24436	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+2Na-H"	44.97116
"629285"	1167.38096	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+2Na-H"	44.97116
"1132057"	419.10776	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2Na-H"	44.97116
"173280"	397.125818	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+2Na"	45.978436
"613090"	584.194118	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+2Na"	45.978436
"1116105"	210.057518	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2Na"	45.978436
"1400124"	140.374104	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H+2Na"	46.985712
"1434063"	421.149346	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H+HCOOH"	47.012746
"223759"	402.15884	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+3H2O+2H"	56.04448
"1514740"	435.20139	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+IsoProp+H"	61.06479
"415520"	405.112788	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+Na+K"	61.952376
"777612"	592.181088	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+Na+K"	61.952376
"1671755"	218.044488	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Na+K"	61.952376
"262649"	812.288968	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+ACN+Na"	64.015768
"1234263"	438.152368	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+ACN+Na"	64.015768
"1725339"	438.175893	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+NH4+HCOOH"	64.039293
"1191788"	147.701418	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+3Na"	68.967654
"1661681"	443.131288	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Na+HCOOH"	68.994688
"167449"	825.19224	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+2K-H"	76.91904
"610291"	1199.32884	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+2K-H"	76.91904
"1098935"	451.05564	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2K-H"	76.91904
"150526"	413.099758	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"2M+2K"	77.926316
"596284"	600.168058	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"3M+2K"	77.926316
"1082254"	226.031458	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2K"	77.926316
"1109996"	453.070192	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2K+H"	78.933592
"1345288"	453.157807	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+DMSO+H"	79.021207
"1017097"	457.196976	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2ACN+H"	83.060376
"1529757"	458.190608	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+IsoProp+Na+H"	84.054008
"997297"	229.102126	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+2ACN+2H"	84.067652
"1599454"	459.105228	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+K+HCOOH"	84.968628
"1421834"	489.136738	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+H+CF3COOH"	115.000138
"1149935"	249.615401	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+3ACN+2H"	125.094202
"1700585"	506.163285	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+NH4+CF3COOH"	132.026685
"1649728"	511.11868	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+Na+CF3COOH"	136.98208
"1579545"	527.09262	"C09073"	"Chasmanthin"	"C20H22O7"	"374.1366"	"M+K+CF3COOH"	152.95602
"803349"	606.2676	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M"	0
"980166"	587.24921	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-H2O-H"	-19.01839
"72781"	403.171124	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M-3H"	-3.021828
"506875"	605.260324	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M-3H"	-3.021828
"893427"	201.081924	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-3H"	-3.021828
"14189"	605.260324	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M-2H"	-2.014552
"454843"	908.394124	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M-2H"	-2.014552
"828272"	302.126524	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-2H"	-2.014552
"90454"	1211.527924	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M-H"	-1.007276
"528921"	1817.795524	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M-H"	-1.007276
"904534"	605.260324	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-H"	-1.007276
"51256"	1228.554471	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M-2H+NH4"	16.019271
"498469"	1834.822071	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M-2H+NH4"	16.019271
"874085"	622.286871	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-2H+NH4"	16.019271
"42348"	1233.509866	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M-2H+Na"	20.974666
"471482"	1839.777466	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M-2H+Na"	20.974666
"849625"	627.242266	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-2H+Na"	20.974666
"1618467"	627.242266	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Na-2H"	20.974666
"97759"	623.248663	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M-H+Cl"	33.962126
"536592"	926.382463	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M-H+Cl"	33.962126
"928037"	320.114863	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-H+Cl"	33.962126
"273771"	1247.504602	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+Cl"	34.969402
"669475"	1853.772202	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+Cl"	34.969402
"1276772"	641.237002	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Cl"	34.969402
"25530"	1249.483806	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M-2H+K"	36.948606
"465091"	1855.751406	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M-2H+K"	36.948606
"841797"	643.216206	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-2H+K"	36.948606
"1566380"	643.216206	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+K-2H"	36.948606
"954260"	651.265794	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-H+HCOOH"	44.998194
"369928"	1257.533401	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+HCOOH-H"	44.998201
"351989"	1271.549051	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+Hac-H"	59.013851
"1500457"	665.281451	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Hac-H"	59.013851
"965081"	673.247751	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-H+NaCOOH"	66.980151
"115081"	641.237002	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+2Cl"	69.938804
"556828"	944.370802	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+2Cl"	69.938804
"1025261"	338.103202	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2Cl"	69.938804
"1244108"	685.186485	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Br"	78.918885
"1316403"	687.242472	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Cl+HCOOH"	80.974872
"1329167"	709.224429	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Cl+NaCOOH"	102.956829
"915123"	719.253186	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M-H+CF3COOH"	112.985586
"1292924"	755.229864	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Cl+CF3COOH"	148.962264
"1375459"	571.254924	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H-2H2O"	-35.012676
"1394049"	589.2649	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H-H2O"	-17.0027
"284622"	1213.542476	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+H"	1.007276
"682879"	1819.810076	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+H"	1.007276
"1363604"	607.274876	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H"	1.007276
"139778"	607.274876	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+2H"	2.014552
"580066"	910.408676	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+2H"	2.014552
"1051419"	304.141076	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2H"	2.014552
"219690"	405.185676	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+3H"	3.021828
"659614"	607.274876	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+3H"	3.021828
"1177253"	203.096476	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+3H"	3.021828
"438457"	1230.569023	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+NH4"	18.033823
"801157"	1836.836623	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+NH4"	18.033823
"1696761"	624.301423	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+NH4"	18.033823
"345613"	615.7881495	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+H+NH4"	19.041099
"737783"	918.9219495	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+H+NH4"	19.041099
"1492128"	312.6543495	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H+NH4"	19.041099
"408377"	1235.524418	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+Na"	22.989218
"769881"	1841.792018	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+Na"	22.989218
"1618237"	629.256818	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Na"	22.989218
"325557"	618.265847	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+H+Na"	23.996494
"715795"	921.399647	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+H+Na"	23.996494
"1470708"	315.132047	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H+Na"	23.996494
"1059578"	210.42379	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2H+Na"	25.00377
"1264537"	639.301086	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+CH3OH+H"	33.033486
"384206"	1251.498358	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+K"	38.963158
"749578"	1857.765958	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+K"	38.963158
"1549448"	645.230758	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+K"	38.963158
"301156"	626.252817	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+H+K"	39.970434
"695765"	929.386617	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+H+K"	39.970434
"1453957"	323.119017	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H+K"	39.970434
"238185"	1254.569026	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+ACN+H"	42.033826
"1211257"	648.301426	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+ACN+H"	42.033826
"1194531"	324.654351	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+ACN+2H"	43.041102
"188817"	1257.50636	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+2Na-H"	44.97116
"628660"	1863.77396	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+2Na-H"	44.97116
"1131805"	651.23876	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2Na-H"	44.97116
"173147"	629.256818	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+2Na"	45.978436
"613004"	932.390618	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+2Na"	45.978436
"1115700"	326.123018	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2Na"	45.978436
"1398891"	217.751104	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H+2Na"	46.985712
"1430159"	653.280346	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H+HCOOH"	47.012746
"224234"	634.28984	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+3H2O+2H"	56.04448
"1514850"	667.33239	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+IsoProp+H"	61.06479
"413443"	637.243788	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+Na+K"	61.952376
"776627"	940.377588	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+Na+K"	61.952376
"1670772"	334.109988	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Na+K"	61.952376
"258386"	1276.550968	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+ACN+Na"	64.015768
"1234373"	670.283368	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+ACN+Na"	64.015768
"1725449"	670.306893	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+NH4+HCOOH"	64.039293
"1189712"	225.078418	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+3Na"	68.967654
"1658511"	675.262288	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Na+HCOOH"	68.994688
"166466"	1289.45424	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+2K-H"	76.91904
"609308"	1895.72184	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+2K-H"	76.91904
"1097100"	683.18664	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2K-H"	76.91904
"152822"	645.230758	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"2M+2K"	77.926316
"597075"	948.364558	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"3M+2K"	77.926316
"1081270"	342.096958	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2K"	77.926316
"1110106"	685.201192	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2K+H"	78.933592
"1348678"	685.288807	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+DMSO+H"	79.021207
"1017207"	689.327976	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2ACN+H"	83.060376
"1532053"	690.321608	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+IsoProp+Na+H"	84.054008
"996313"	345.167626	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+2ACN+2H"	84.067652
"1599564"	691.236228	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+K+HCOOH"	84.968628
"1423037"	721.267738	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+H+CF3COOH"	115.000138
"1151138"	365.680901	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+3ACN+2H"	125.094202
"1698143"	738.294285	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+NH4+CF3COOH"	132.026685
"1649828"	743.24968	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+Na+CF3COOH"	136.98208
"1579655"	759.22362	"C09074"	"Clerodendrin A"	"C31H42O12"	"606.2676"	"M+K+CF3COOH"	152.95602
"810020"	434.2305	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M"	0
"980276"	415.21211	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-H2O-H"	-19.01839
"72891"	288.479724	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M-3H"	-3.021828
"509172"	433.223224	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M-3H"	-3.021828
"894633"	143.736224	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-3H"	-3.021828
"14302"	433.223224	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M-2H"	-2.014552
"449491"	650.338474	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M-2H"	-2.014552
"829480"	216.107974	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-2H"	-2.014552
"82909"	867.453724	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M-H"	-1.007276
"526843"	1301.684224	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M-H"	-1.007276
"901365"	433.223224	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-H"	-1.007276
"58654"	884.480271	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M-2H+NH4"	16.019271
"494204"	1318.710771	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M-2H+NH4"	16.019271
"874922"	450.249771	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-2H+NH4"	16.019271
"39907"	889.435666	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M-2H+Na"	20.974666
"474000"	1323.666166	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M-2H+Na"	20.974666
"848719"	455.205166	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-2H+Na"	20.974666
"1618553"	455.205166	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Na-2H"	20.974666
"98963"	451.211563	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M-H+Cl"	33.962126
"538889"	668.326813	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M-H+Cl"	33.962126
"928029"	234.096313	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-H+Cl"	33.962126
"273881"	903.430402	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+Cl"	34.969402
"669585"	1337.660902	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+Cl"	34.969402
"1283082"	469.199902	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Cl"	34.969402
"24547"	905.409606	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M-2H+K"	36.948606
"461920"	1339.640106	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M-2H+K"	36.948606
"836438"	471.179106	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-2H+K"	36.948606
"1560291"	471.179106	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+K-2H"	36.948606
"951091"	479.228694	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-H+HCOOH"	44.998194
"372587"	913.459201	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+HCOOH-H"	44.998201
"356109"	927.474851	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+Hac-H"	59.013851
"1500932"	493.244351	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Hac-H"	59.013851
"964097"	501.210651	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-H+NaCOOH"	66.980151
"115192"	469.199902	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+2Cl"	69.938804
"554751"	686.315152	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+2Cl"	69.938804
"1025737"	252.084652	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2Cl"	69.938804
"1245314"	513.149385	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Br"	78.918885
"1312138"	515.205372	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Cl+HCOOH"	80.974872
"1331826"	537.187329	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Cl+NaCOOH"	102.956829
"915233"	547.216086	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M-H+CF3COOH"	112.985586
"1292302"	583.192764	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Cl+CF3COOH"	148.962264
"1368276"	399.217824	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H-2H2O"	-35.012676
"1387598"	417.2278	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H-H2O"	-17.0027
"284004"	869.468276	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+H"	1.007276
"682989"	1303.698776	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+H"	1.007276
"1362620"	435.237776	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H"	1.007276
"138793"	435.237776	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+2H"	2.014552
"578353"	652.353026	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+2H"	2.014552
"1050923"	218.122526	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2H"	2.014552
"216148"	290.494276	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+3H"	3.021828
"658383"	435.237776	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+3H"	3.021828
"1176265"	145.750776	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+3H"	3.021828
"437105"	886.494823	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+NH4"	18.033823
"799804"	1320.725323	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+NH4"	18.033823
"1696261"	452.264323	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+NH4"	18.033823
"344540"	443.7510495	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+H+NH4"	19.041099
"737811"	660.8662995	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+H+NH4"	19.041099
"1492238"	226.6357995	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H+NH4"	19.041099
"402167"	891.450218	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+Na"	22.989218
"764254"	1325.680718	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+Na"	22.989218
"1613447"	457.219718	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Na"	22.989218
"325669"	446.228747	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+H+Na"	23.996494
"715905"	663.343997	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+H+Na"	23.996494
"1467900"	229.113497	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H+Na"	23.996494
"1061876"	153.07809	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2H+Na"	25.00377
"1265744"	467.263986	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+CH3OH+H"	33.033486
"387600"	907.424158	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+K"	38.963158
"748597"	1341.654658	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+K"	38.963158
"1547371"	473.193658	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+K"	38.963158
"300294"	454.215717	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+H+K"	39.970434
"693688"	671.330967	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+H+K"	39.970434
"1450787"	237.100467	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H+K"	39.970434
"239389"	910.494826	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+ACN+H"	42.033826
"1209937"	476.264326	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+ACN+H"	42.033826
"1194316"	238.635801	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+ACN+2H"	43.041102
"189214"	913.43216	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+2Na-H"	44.97116
"630717"	1347.66266	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+2Na-H"	44.97116
"1133129"	479.20166	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2Na-H"	44.97116
"172863"	457.219718	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+2Na"	45.978436
"613139"	674.334968	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+2Na"	45.978436
"1116937"	240.104468	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2Na"	45.978436
"1399368"	160.405404	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H+2Na"	46.985712
"1429965"	481.243246	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H+HCOOH"	47.012746
"224342"	462.25274	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+3H2O+2H"	56.04448
"1514961"	495.29529	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+IsoProp+H"	61.06479
"412460"	465.206688	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+Na+K"	61.952376
"775645"	682.321938	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+Na+K"	61.952376
"1673069"	248.091438	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Na+K"	61.952376
"261776"	932.476768	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+ACN+Na"	64.015768
"1238860"	498.246268	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+ACN+Na"	64.015768
"1717906"	498.269793	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+NH4+HCOOH"	64.039293
"1187634"	167.732718	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+3Na"	68.967654
"1656799"	503.225188	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Na+HCOOH"	68.994688
"170225"	945.38004	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+2K-H"	76.91904
"609418"	1379.61054	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+2K-H"	76.91904
"1093201"	511.14954	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2K-H"	76.91904
"152932"	473.193658	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"2M+2K"	77.926316
"594681"	690.308908	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"3M+2K"	77.926316
"1081750"	256.078408	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2K"	77.926316
"1109124"	513.164092	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2K+H"	78.933592
"1345509"	513.251707	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+DMSO+H"	79.021207
"1014038"	517.290876	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2ACN+H"	83.060376
"1532164"	518.284508	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+IsoProp+Na+H"	84.054008
"993145"	259.149076	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+2ACN+2H"	84.067652
"1592021"	519.199128	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+K+HCOOH"	84.968628
"1414274"	549.230638	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+H+CF3COOH"	115.000138
"1149062"	279.662351	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+3ACN+2H"	125.094202
"1699712"	566.257185	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+NH4+CF3COOH"	132.026685
"1648489"	571.21258	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+Na+CF3COOH"	136.98208
"1583045"	587.18652	"C09075"	"Clerodin;3-Deoxycaryoptinol"	"C24H34O7"	"434.2305"	"M+K+CF3COOH"	152.95602
"803569"	410.2305	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M"	0
"983663"	391.21211	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-H2O-H"	-19.01839
"75188"	272.479724	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M-3H"	-3.021828
"512561"	409.223224	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M-3H"	-3.021828
"890371"	135.736224	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-3H"	-3.021828
"12227"	409.223224	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M-2H"	-2.014552
"449601"	614.338474	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M-2H"	-2.014552
"826310"	204.107974	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-2H"	-2.014552
"84113"	819.453724	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M-H"	-1.007276
"528048"	1229.684224	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M-H"	-1.007276
"905849"	409.223224	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-H"	-1.007276
"58036"	836.480271	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M-2H+NH4"	16.019271
"494314"	1246.710771	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M-2H+NH4"	16.019271
"875398"	426.249771	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-2H+NH4"	16.019271
"42205"	841.435666	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M-2H+Na"	20.974666
"479577"	1251.666166	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M-2H+Na"	20.974666
"848996"	431.205166	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-2H+Na"	20.974666
"1618726"	431.205166	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Na-2H"	20.974666
"95793"	427.211563	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M-H+Cl"	33.962126
"537905"	632.326813	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M-H+Cl"	33.962126
"931055"	222.096313	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-H+Cl"	33.962126
"271070"	855.430402	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+Cl"	34.969402
"663128"	1265.660902	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+Cl"	34.969402
"1281004"	445.199902	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Cl"	34.969402
"24655"	857.409606	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M-2H+K"	36.948606
"458749"	1267.640106	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M-2H+K"	36.948606
"836547"	447.179106	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-2H+K"	36.948606
"1558941"	447.179106	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+K-2H"	36.948606
"951200"	455.228694	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-H+HCOOH"	44.998194
"371240"	865.459201	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+HCOOH-H"	44.998201
"348925"	879.474851	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+Hac-H"	59.013851
"1499947"	469.244351	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Hac-H"	59.013851
"966394"	477.210651	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-H+NaCOOH"	66.980151
"114207"	445.199902	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+2Cl"	69.938804
"552672"	650.315152	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+2Cl"	69.938804
"1025117"	240.084652	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2Cl"	69.938804
"1250891"	489.149385	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Br"	78.918885
"1313342"	491.205372	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Cl+HCOOH"	80.974872
"1325370"	513.187329	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Cl+NaCOOH"	102.956829
"919712"	523.216086	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M-H+CF3COOH"	112.985586
"1293508"	559.192764	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Cl+CF3COOH"	148.962264
"1367208"	375.217824	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H-2H2O"	-35.012676
"1382802"	393.2278	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H-H2O"	-17.0027
"284113"	821.468276	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+H"	1.007276
"675693"	1231.698776	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+H"	1.007276
"1361637"	411.237776	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H"	1.007276
"138902"	411.237776	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+2H"	2.014552
"581099"	616.353026	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+2H"	2.014552
"1049449"	206.122526	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2H"	2.014552
"219299"	274.494276	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+3H"	3.021828
"658500"	411.237776	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+3H"	3.021828
"1177478"	137.750776	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+3H"	3.021828
"438433"	838.494823	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+NH4"	18.033823
"799550"	1248.725323	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+NH4"	18.033823
"1696373"	428.264323	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+NH4"	18.033823
"345262"	419.7510495	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+H+NH4"	19.041099
"737800"	624.8662995	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+H+NH4"	19.041099
"1492108"	214.6357995	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H+NH4"	19.041099
"402277"	843.450218	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+Na"	22.989218
"767279"	1253.680718	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+Na"	22.989218
"1613557"	433.219718	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Na"	22.989218
"329063"	422.228747	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+H+Na"	23.996494
"717109"	627.343997	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+H+Na"	23.996494
"1469834"	217.113497	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H+Na"	23.996494
"1060895"	145.07809	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2H+Na"	25.00377
"1264761"	443.263986	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+CH3OH+H"	33.033486
"390993"	859.424158	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+K"	38.963158
"752718"	1269.654658	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+K"	38.963158
"1546387"	449.193658	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+K"	38.963158
"303563"	430.215717	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+H+K"	39.970434
"691690"	635.330967	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+H+K"	39.970434
"1450897"	225.100467	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H+K"	39.970434
"240591"	862.494826	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+ACN+H"	42.033826
"1216579"	452.264326	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+ACN+H"	42.033826
"1195724"	226.635801	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+ACN+2H"	43.041102
"189120"	865.43216	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+2Na-H"	44.97116
"629975"	1275.66266	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+2Na-H"	44.97116
"1135304"	455.20166	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2Na-H"	44.97116
"177501"	433.219718	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+2Na"	45.978436
"614997"	638.334968	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+2Na"	45.978436
"1118384"	228.104468	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2Na"	45.978436
"1400087"	152.405404	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H+2Na"	46.985712
"1430252"	457.243246	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H+HCOOH"	47.012746
"222266"	438.25274	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+3H2O+2H"	56.04448
"1514341"	471.29529	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+IsoProp+H"	61.06479
"413664"	441.206688	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+Na+K"	61.952376
"783409"	646.321938	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+Na+K"	61.952376
"1670991"	236.091438	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Na+K"	61.952376
"255324"	884.476768	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+ACN+Na"	64.015768
"1237876"	474.246268	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+ACN+Na"	64.015768
"1723483"	474.269793	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+NH4+HCOOH"	64.039293
"1184464"	159.732718	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+3Na"	68.967654
"1656909"	479.225188	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Na+HCOOH"	68.994688
"165596"	897.38004	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+2K-H"	76.91904
"605154"	1307.61054	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+2K-H"	76.91904
"1090031"	487.14954	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2K-H"	76.91904
"154135"	449.193658	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"2M+2K"	77.926316
"595765"	654.308908	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"3M+2K"	77.926316
"1076023"	244.078408	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2K"	77.926316
"1108138"	489.164092	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2K+H"	78.933592
"1347804"	489.251707	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+DMSO+H"	79.021207
"1018158"	493.290876	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2ACN+H"	83.060376
"1536647"	494.284508	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+IsoProp+Na+H"	84.054008
"990215"	247.149076	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+2ACN+2H"	84.067652
"1588850"	495.199128	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+K+HCOOH"	84.968628
"1414190"	525.230638	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+H+CF3COOH"	115.000138
"1148320"	267.662351	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+3ACN+2H"	125.094202
"1700917"	542.257185	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+NH4+CF3COOH"	132.026685
"1645318"	547.21258	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+Na+CF3COOH"	136.98208
"1579875"	563.18652	"C09076"	"Coleonol;Colforsin;Forskolin"	"C22H34O7"	"410.2305"	"M+K+CF3COOH"	152.95602
"803679"	358.1416	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M"	0
"980493"	339.12321	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"74205"	237.753790666667	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"512671"	357.134324	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"895578"	118.373257333333	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"13430"	357.134324	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"454936"	536.205124	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"829699"	178.063524	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"86410"	715.275924	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"531437"	1073.417524	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"904867"	357.134324	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"55960"	732.302471	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"498435"	1090.444071	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"874416"	374.160871	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"42316"	737.257866	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"480781"	1095.399466	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"849346"	379.116266	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1620459"	379.116266	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"95903"	375.122663	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"537652"	554.193463	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"932260"	196.051863	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"277380"	751.252602	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"663602"	1109.394202	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1284398"	393.111002	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"26951"	753.231806	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"465418"	1111.373406	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"843219"	395.090206	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1563427"	395.090206	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"946935"	403.139794	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"364056"	761.281401	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"351222"	775.297051	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1494584"	417.155451	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"960305"	425.121751	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"117598"	393.111002	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"554970"	572.181802	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1025590"	214.040202	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1248813"	437.060485	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1307618"	439.116472	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1327671"	461.098429	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"922011"	471.127186	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1295442"	507.103864	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1367405"	323.128924	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1387819"	341.1389	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"286413"	717.290476	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"686490"	1075.432076	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1366001"	359.148876	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"141342"	359.148876	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"580893"	538.219676	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1052362"	180.078076	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"218808"	239.768342666667	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"659224"	359.148876	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1178156"	120.387809333333	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"438916"	734.317023	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"800401"	1092.458623	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1696601"	376.175423	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"345211"	367.6621495	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"737421"	546.7329495	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1492095"	188.5913495	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"406398"	739.272418	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"766300"	1097.414018	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1611482"	381.130818	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"319331"	370.139847	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"713940"	549.210647	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1465573"	191.069047	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1059913"	127.715123333333	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1271312"	391.175086	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"391472"	755.246358	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"753194"	1113.387958	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1547592"	397.104758	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"306955"	378.126817	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"698283"	557.197617	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1453194"	199.056017	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"245805"	758.317026	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1215595"	400.175426	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1194741"	200.591351	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"192351"	761.25436	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"631909"	1119.39596	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1135416"	403.11276	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"175426"	381.130818	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"614987"	560.201618	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1117402"	202.060018	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1400198"	135.042437333333	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1430607"	405.154346	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"220295"	386.16384	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1511900"	419.20639	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"411587"	389.117788	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"779146"	568.188588	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1672197"	210.046988	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"256529"	780.298968	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1239081"	422.157368	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1723595"	422.180893	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1189313"	142.369751333333	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1655926"	427.136288	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"166798"	793.20224	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"606358"	1151.34384	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1089413"	435.06064	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"152060"	397.104758	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"594900"	576.175558	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1081602"	218.033958	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1108250"	437.075192	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1345728"	437.162807	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1017539"	441.201976	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1534572"	442.195608	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"993362"	221.104626	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1587867"	443.110228	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1414741"	473.141738	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1148188"	241.617901	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1697008"	490.168285	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1635584"	495.12368	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1579985"	511.09762	"C09077"	"Columbin"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"804882"	626.3666	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M"	0
"978416"	607.34821	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-H2O-H"	-19.01839
"74315"	416.570457333333	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M-3H"	-3.021828
"510593"	625.359324	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M-3H"	-3.021828
"888398"	207.781590666667	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-3H"	-3.021828
"9164"	625.359324	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M-2H"	-2.014552
"447635"	938.542624	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M-2H"	-2.014552
"823248"	312.176024	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-2H"	-2.014552
"84333"	1251.725924	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M-H"	-1.007276
"527175"	1878.092524	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M-H"	-1.007276
"904976"	625.359324	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-H"	-1.007276
"56070"	1268.752471	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M-2H+NH4"	16.019271
"497451"	1895.119071	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M-2H+NH4"	16.019271
"871245"	642.385871	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-2H+NH4"	16.019271
"40240"	1273.707866	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M-2H+Na"	20.974666
"474331"	1900.074466	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M-2H+Na"	20.974666
"848613"	647.341266	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-2H+Na"	20.974666
"1619032"	647.341266	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Na-2H"	20.974666
"96013"	643.347663	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M-H+Cl"	33.962126
"537762"	956.530963	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M-H+Cl"	33.962126
"934557"	330.164363	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-H+Cl"	33.962126
"282595"	1287.702602	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+Cl"	34.969402
"665538"	1914.069202	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+Cl"	34.969402
"1284508"	661.336002	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Cl"	34.969402
"24875"	1289.681806	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M-2H+K"	36.948606
"465528"	1916.048406	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M-2H+K"	36.948606
"840049"	663.315206	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-2H+K"	36.948606
"1563537"	663.315206	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+K-2H"	36.948606
"949232"	671.364794	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-H+HCOOH"	44.998194
"365260"	1297.731401	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+HCOOH-H"	44.998201
"349145"	1311.747051	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+Hac-H"	59.013851
"1495789"	685.380451	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Hac-H"	59.013851
"960052"	693.346751	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-H+NaCOOH"	66.980151
"114427"	661.336002	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+2Cl"	69.938804
"553986"	974.519302	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+2Cl"	69.938804
"1024240"	348.152702	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2Cl"	69.938804
"1248923"	705.285485	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Br"	78.918885
"1306266"	707.341472	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Cl+HCOOH"	80.974872
"1329968"	729.323429	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Cl+NaCOOH"	102.956829
"919934"	739.352186	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M-H+CF3COOH"	112.985586
"1290449"	775.328864	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Cl+CF3COOH"	148.962264
"1367632"	591.353924	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H-2H2O"	-35.012676
"1384649"	609.3639	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H-H2O"	-17.0027
"285430"	1253.740476	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+H"	1.007276
"686600"	1880.107076	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+H"	1.007276
"1365139"	627.373876	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H"	1.007276
"138760"	627.373876	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+2H"	2.014552
"580385"	940.557176	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+2H"	2.014552
"1051251"	314.190576	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2H"	2.014552
"219405"	418.585009333333	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+3H"	3.021828
"659944"	627.373876	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+3H"	3.021828
"1177703"	209.796142666667	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+3H"	3.021828
"439820"	1270.767023	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+NH4"	18.033823
"801117"	1897.133623	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+NH4"	18.033823
"1696713"	644.400423	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+NH4"	18.033823
"345625"	635.8871495	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+H+NH4"	19.041099
"738427"	949.0704495	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+H+NH4"	19.041099
"1492408"	322.7038495	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H+NH4"	19.041099
"406873"	1275.722418	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+Na"	22.989218
"765681"	1902.089018	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+Na"	22.989218
"1618153"	649.355818	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Na"	22.989218
"329650"	638.364847	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+H+Na"	23.996494
"719517"	951.548147	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+H+Na"	23.996494
"1465318"	325.181547	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H+Na"	23.996494
"1065491"	217.123456666667	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2H+Na"	25.00377
"1270450"	659.400086	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+CH3OH+H"	33.033486
"392070"	1291.696358	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+K"	38.963158
"753668"	1918.062958	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+K"	38.963158
"1548797"	665.329758	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+K"	38.963158
"309252"	646.351817	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+H+K"	39.970434
"699487"	959.535117	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+H+K"	39.970434
"1455492"	333.168517	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H+K"	39.970434
"242998"	1294.767026	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+ACN+H"	42.033826
"1216801"	668.400426	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+ACN+H"	42.033826
"1195217"	334.703851	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+ACN+2H"	43.041102
"194647"	1297.70436	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+2Na-H"	44.97116
"632019"	1924.07096	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+2Na-H"	44.97116
"1137712"	671.33776	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2Na-H"	44.97116
"175901"	649.355818	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+2Na"	45.978436
"615461"	962.539118	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+2Na"	45.978436
"1117388"	336.172518	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2Na"	45.978436
"1401036"	224.450770666667	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H+2Na"	46.985712
"1430716"	673.379346	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H+HCOOH"	47.012746
"220896"	654.38884	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+3H2O+2H"	56.04448
"1512010"	687.43139	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+IsoProp+H"	61.06479
"411697"	657.342788	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+Na+K"	61.952376
"774881"	970.526088	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+Na+K"	61.952376
"1671212"	344.159488	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Na+K"	61.952376
"253357"	1316.748968	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+ACN+Na"	64.015768
"1230441"	690.382368	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+ACN+Na"	64.015768
"1726984"	690.405893	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+NH4+HCOOH"	64.039293
"1190151"	231.778084666667	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+3Na"	68.967654
"1658952"	695.361288	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Na+HCOOH"	68.994688
"166909"	1329.65224	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+2K-H"	76.91904
"608653"	1956.01884	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+2K-H"	76.91904
"1090982"	703.28564	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2K-H"	76.91904
"151076"	665.329758	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"2M+2K"	77.926316
"591730"	978.513058	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"3M+2K"	77.926316
"1076243"	352.146458	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2K"	77.926316
"1108360"	705.300192	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2K+H"	78.933592
"1345838"	705.387807	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+DMSO+H"	79.021207
"1017649"	709.426976	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2ACN+H"	83.060376
"1534681"	710.420608	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+IsoProp+Na+H"	84.054008
"997846"	355.217126	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+2ACN+2H"	84.067652
"1587730"	711.335228	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+K+HCOOH"	84.968628
"1414730"	741.366738	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+H+CF3COOH"	115.000138
"1147284"	375.730401	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+3ACN+2H"	125.094202
"1697200"	758.393285	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+NH4+CF3COOH"	132.026685
"1636786"	763.34868	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+Na+CF3COOH"	136.98208
"1580095"	779.32262	"C09078"	"Cotylenin F"	"C33H54O11"	"626.3666"	"M+K+CF3COOH"	152.95602
"804992"	318.2195	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M"	0
"977433"	299.20111	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"66770"	211.139057333333	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"507423"	317.212224	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"888508"	105.065890666667	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"10367"	317.212224	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"449931"	476.321974	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"828461"	158.102474	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"86631"	635.431724	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"528378"	953.651224	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"903993"	317.212224	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"56180"	652.458271	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"496832"	970.677771	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"873541"	334.238771	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"39256"	657.413666	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"473712"	975.633166	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"849200"	339.194166	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1620199"	339.194166	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"96123"	335.200563	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"541152"	494.310313	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"934667"	176.090813	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"280760"	671.408402	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"667834"	989.627902	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1282426"	353.188902	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"30454"	673.387606	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"462358"	991.607106	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"836877"	355.168106	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1558179"	355.168106	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"948249"	363.217694	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"365369"	681.437201	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"351441"	695.452851	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1495899"	377.233351	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"960160"	385.199651	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"115630"	353.188902	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"554096"	512.298652	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1024348"	194.079152	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1245751"	397.138385	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1307833"	399.194372	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1331171"	421.176329	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"920044"	431.205086	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1295663"	467.181764	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1367862"	283.206824	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1388039"	301.2168	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"285540"	637.446276	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"686710"	955.665776	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1366667"	319.226776	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"140693"	319.226776	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"580618"	478.336526	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1051482"	160.117026	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"219960"	213.153609333333	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"659854"	319.226776	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1178174"	107.080442666667	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"439377"	654.472823	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"800860"	972.692323	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1695851"	336.253323	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"345063"	327.7400495	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"737037"	486.8497995	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1490858"	168.6302995	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"405891"	659.428218	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"765791"	977.647718	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1615349"	341.208718	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"327573"	330.217747	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"719627"	489.327497	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1464700"	171.107997	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1064509"	114.407756666667	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1272022"	351.252986	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"391693"	675.402158	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"751960"	993.621658	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1543075"	357.182658	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"309362"	338.204717	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"698503"	497.314467	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1455238"	179.094967	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"243108"	678.472826	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1218003"	360.253326	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1195570"	180.630301	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"191477"	681.41016	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"631036"	999.62966	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1136729"	363.19066	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"177833"	341.208718	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"615937"	500.318468	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1119442"	182.098968	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1402602"	121.735070666667	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1430706"	365.232246	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"221253"	346.24174	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1511027"	379.28429	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"409737"	349.195688	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"772802"	508.305438	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1667069"	190.085938	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"252128"	700.454768	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1230551"	382.235268	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1723812"	382.258793	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1189167"	129.062384666667	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1656146"	387.214188	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"167018"	713.35804	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"605483"	1031.57754	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1093278"	395.13854	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"147906"	357.182658	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"590747"	516.292408	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1076353"	198.072908	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1110655"	397.153092	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1345948"	397.240707	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1017758"	401.279876	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1536613"	402.273508	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1000143"	201.143576	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1587962"	403.188128	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1414962"	433.219638	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1147436"	221.656851	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1700151"	450.246185	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1637989"	455.20158	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1580205"	471.17552	"C09079"	"Cyathin A3"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"804009"	482.1941	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M"	0
"978636"	463.17571	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-H2O-H"	-19.01839
"67973"	320.455457333333	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M-3H"	-3.021828
"508626"	481.186824	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M-3H"	-3.021828
"880598"	159.724090666667	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-3H"	-3.021828
"2813"	481.186824	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M-2H"	-2.014552
"442741"	722.283874	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M-2H"	-2.014552
"820183"	240.089774	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-2H"	-2.014552
"88927"	963.380924	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M-H"	-1.007276
"523748"	1445.575024	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M-H"	-1.007276
"904100"	481.186824	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-H"	-1.007276
"54101"	980.407471	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M-2H+NH4"	16.019271
"492567"	1462.601571	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M-2H+NH4"	16.019271
"871463"	498.213371	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-2H+NH4"	16.019271
"34990"	985.362866	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M-2H+Na"	20.974666
"473457"	1467.556966	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M-2H+Na"	20.974666
"848739"	503.168766	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-2H+Na"	20.974666
"1620431"	503.168766	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Na-2H"	20.974666
"96233"	499.175163	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M-H+Cl"	33.962126
"541262"	740.272213	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M-H+Cl"	33.962126
"934777"	258.078113	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-H+Cl"	33.962126
"280991"	999.357602	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+Cl"	34.969402
"666851"	1481.551702	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+Cl"	34.969402
"1281443"	517.163502	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Cl"	34.969402
"31096"	1001.336806	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M-2H+K"	36.948606
"461375"	1483.530906	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M-2H+K"	36.948606
"834072"	519.142706	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-2H+K"	36.948606
"1557196"	519.142706	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+K-2H"	36.948606
"948359"	527.192294	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-H+HCOOH"	44.998194
"363293"	1009.386401	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+HCOOH-H"	44.998201
"351551"	1023.402051	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+Hac-H"	59.013851
"1496009"	541.207951	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Hac-H"	59.013851
"959419"	549.174251	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-H+NaCOOH"	66.980151
"115740"	517.163502	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+2Cl"	69.938804
"553113"	758.260552	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+2Cl"	69.938804
"1024458"	276.066452	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2Cl"	69.938804
"1244768"	561.112985	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Br"	78.918885
"1305757"	563.168972	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Cl+HCOOH"	80.974872
"1331281"	585.150929	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Cl+NaCOOH"	102.956829
"921247"	595.179686	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M-H+CF3COOH"	112.985586
"1295773"	631.156364	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Cl+CF3COOH"	148.962264
"1367734"	447.181424	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H-2H2O"	-35.012676
"1388149"	465.1914	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H-H2O"	-17.0027
"285650"	965.395476	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+H"	1.007276
"687913"	1447.589576	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+H"	1.007276
"1362077"	483.201376	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H"	1.007276
"141407"	483.201376	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+2H"	2.014552
"581213"	724.298426	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+2H"	2.014552
"1050620"	242.104326	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2H"	2.014552
"219541"	322.470009333333	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+3H"	3.021828
"659710"	483.201376	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+3H"	3.021828
"1178446"	161.738642666667	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+3H"	3.021828
"439649"	982.422023	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+NH4"	18.033823
"801241"	1464.616123	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+NH4"	18.033823
"1695714"	500.227923	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+NH4"	18.033823
"345573"	491.7146495	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+H+NH4"	19.041099
"737145"	732.8116995	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+H+NH4"	19.041099
"1491332"	250.6175995	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H+NH4"	19.041099
"404542"	987.377418	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+Na"	22.989218
"762621"	1469.571518	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+Na"	22.989218
"1608532"	505.183318	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Na"	22.989218
"324037"	494.192347	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+H+Na"	23.996494
"718644"	735.289397	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+H+Na"	23.996494
"1463717"	253.095297	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H+Na"	23.996494
"1058056"	169.065956666667	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2H+Na"	25.00377
"1269213"	515.227586	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+CH3OH+H"	33.033486
"392410"	1003.351358	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+K"	38.963158
"753284"	1485.545458	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+K"	38.963158
"1549017"	521.157258	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+K"	38.963158
"306192"	502.179317	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+H+K"	39.970434
"696426"	743.276367	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+H+K"	39.970434
"1454618"	261.082267	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H+K"	39.970434
"243218"	1006.422026	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+ACN+H"	42.033826
"1214833"	524.227926	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+ACN+H"	42.033826
"1195802"	262.617601	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+ACN+2H"	43.041102
"193774"	1009.35936	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+2Na-H"	44.97116
"629688"	1491.55346	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+2Na-H"	44.97116
"1135016"	527.16526	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2Na-H"	44.97116
"176483"	505.183318	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+2Na"	45.978436
"617139"	746.280368	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+2Na"	45.978436
"1118094"	264.086268	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2Na"	45.978436
"1400890"	176.393270666667	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H+2Na"	46.985712
"1431180"	529.206846	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H+HCOOH"	47.012746
"220877"	510.21634	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+3H2O+2H"	56.04448
"1511137"	543.25889	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+IsoProp+H"	61.06479
"410819"	513.170288	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+Na+K"	61.952376
"772912"	754.267338	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+Na+K"	61.952376
"1669244"	272.073238	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Na+K"	61.952376
"253577"	1028.403968	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+ACN+Na"	64.015768
"1229567"	546.209868	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+ACN+Na"	64.015768
"1723922"	546.233393	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+NH4+HCOOH"	64.039293
"1188183"	183.720584666667	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+3Na"	68.967654
"1656985"	551.188788	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Na+HCOOH"	68.994688
"167128"	1041.30724	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+2K-H"	76.91904
"605593"	1523.50134	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+2K-H"	76.91904
"1093387"	559.11314	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2K-H"	76.91904
"148015"	521.157258	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"2M+2K"	77.926316
"588670"	762.254308	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"3M+2K"	77.926316
"1077556"	280.060208	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2K"	77.926316
"1108578"	561.127692	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2K+H"	78.933592
"1344962"	561.215307	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+DMSO+H"	79.021207
"1016775"	565.254476	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2ACN+H"	83.060376
"1533807"	566.248108	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+IsoProp+Na+H"	84.054008
"1000253"	283.130876	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+2ACN+2H"	84.067652
"1587947"	567.162728	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+K+HCOOH"	84.968628
"1414587"	597.194238	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+H+CF3COOH"	115.000138
"1149611"	303.644151	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+3ACN+2H"	125.094202
"1699168"	614.220785	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+NH4+CF3COOH"	132.026685
"1638099"	619.17618	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+Na+CF3COOH"	136.98208
"1580315"	635.15012	"C09080"	"Daphnetoxin"	"C27H30O8"	"482.1941"	"M+K+CF3COOH"	152.95602
"804119"	332.1988	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M"	0
"975830"	313.18041	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"66989"	220.458590666667	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"509829"	331.191524	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"880003"	109.725657333333	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"1103"	331.191524	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"440907"	497.290924	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"817376"	165.092124	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"78684"	663.390324	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"525318"	995.589124	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"902023"	331.191524	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"52024"	680.416871	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"492677"	1012.615671	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"870478"	348.218071	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"35099"	685.372266	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"471740"	1017.571066	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"848508"	353.173466	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1618543"	353.173466	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"94639"	349.179863	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"534761"	515.279263	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"931607"	183.080463	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"268342"	699.367002	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"665868"	1031.565802	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1278273"	367.168202	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"31337"	701.346206	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"462578"	1033.545006	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"833818"	369.147406	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1558399"	369.147406	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"946282"	377.196994	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"362310"	709.395801	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"348381"	723.411451	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1496119"	391.212651	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"960015"	399.178951	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"112570"	367.168202	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"551761"	533.267602	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1023109"	201.068802	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1244148"	411.117685	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1305622"	413.173672	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1330298"	435.155629	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"921357"	445.184386	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1295883"	481.161064	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1367842"	297.186124	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1388259"	315.1961	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"285760"	665.404876	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"681462"	997.603676	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1358906"	333.206076	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"140669"	333.206076	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"579742"	499.305476	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1048543"	167.106676	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"218631"	222.473142666667	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"659045"	333.206076	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1173400"	111.740209333333	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"438256"	682.431423	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"800956"	1014.630223	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1695824"	350.232623	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"344103"	341.7193495	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"737254"	507.8187495	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1488524"	175.6199495	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"397362"	687.386818	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"761637"	1019.585618	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1608642"	355.188018	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"323782"	344.197047	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"716567"	510.296447	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1463462"	178.097647	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1057073"	119.067523333333	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1267500"	365.232286	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"390451"	703.360758	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"750353"	1035.559558	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1544750"	371.161958	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"305207"	352.184017	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"694712"	518.283417	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1449260"	186.084617	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"240048"	706.431426	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1210445"	374.232626	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1195548"	187.619951	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"189995"	709.36876	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"628735"	1041.56756	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1132209"	377.16996	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"173039"	355.188018	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"613065"	521.287418	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1115921"	189.088618	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1398686"	126.394837333333	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1430394"	379.211546	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"220251"	360.22104	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1511247"	393.26359	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"409835"	363.174988	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"773022"	529.274388	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1667531"	197.075588	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"252349"	728.413368	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1229677"	396.214568	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1724032"	396.238093	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1185013"	133.722151333333	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1657093"	401.193488	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"158118"	741.31664	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"605703"	1073.51544	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1090215"	409.11784	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"143019"	371.161958	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"585500"	537.261358	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1071105"	205.062558	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1107593"	411.132392	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1340698"	411.220007	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1013603"	415.259176	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1532822"	416.252808	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"994896"	208.133226	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1588056"	417.167428	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1414576"	447.198938	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1147535"	228.646501	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1698549"	464.225485	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1637116"	469.18088	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1580425"	485.15482	"C09081"	"7beta12alpha-Dihydroxykaurenolide"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"804957"	480.3253	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M"	0
"976669"	461.30691	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-H2O-H"	-19.01839
"67099"	319.209590666667	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M-3H"	-3.021828
"509939"	479.318024	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M-3H"	-3.021828
"881911"	159.101157333333	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-3H"	-3.021828
"3036"	479.318024	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M-2H"	-2.014552
"442597"	719.480674	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M-2H"	-2.014552
"817189"	239.155374	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-2H"	-2.014552
"78693"	959.643324	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M-H"	-1.007276
"524334"	1439.968624	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M-H"	-1.007276
"904320"	479.318024	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-H"	-1.007276
"54321"	976.669871	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M-2H+NH4"	16.019271
"494974"	1456.995171	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M-2H+NH4"	16.019271
"869495"	496.344571	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-2H+NH4"	16.019271
"36303"	981.625266	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M-2H+Na"	20.974666
"472583"	1461.950566	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M-2H+Na"	20.974666
"848686"	501.299966	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-2H+Na"	20.974666
"1618575"	501.299966	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Na-2H"	20.974666
"94432"	497.306363	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M-H+Cl"	33.962126
"534710"	737.469013	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M-H+Cl"	33.962126
"930254"	257.143713	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-H+Cl"	33.962126
"269905"	995.620002	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+Cl"	34.969402
"665978"	1475.945302	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+Cl"	34.969402
"1275829"	515.294702	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Cl"	34.969402
"17659"	997.599206	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M-2H+K"	36.948606
"457459"	1477.924506	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M-2H+K"	36.948606
"834410"	517.273906	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-2H+K"	36.948606
"1557780"	517.273906	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+K-2H"	36.948606
"943476"	525.323494	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-H+HCOOH"	44.998194
"361414"	1005.648801	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+HCOOH-H"	44.998201
"345720"	1019.664451	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+Hac-H"	59.013851
"1492810"	539.339151	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Hac-H"	59.013851
"958779"	547.305451	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-H+NaCOOH"	66.980151
"111216"	515.294702	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+2Cl"	69.938804
"551869"	755.457352	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+2Cl"	69.938804
"1021484"	275.132052	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2Cl"	69.938804
"1243891"	559.244185	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Br"	78.918885
"1306704"	561.300172	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Cl+HCOOH"	80.974872
"1330408"	583.282129	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Cl+NaCOOH"	102.956829
"921467"	593.310886	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M-H+CF3COOH"	112.985586
"1295988"	629.287564	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Cl+CF3COOH"	148.962264
"1371968"	445.312624	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H-2H2O"	-35.012676
"1384721"	463.3226	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H-H2O"	-17.0027
"285870"	961.657876	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+H"	1.007276
"676953"	1441.983176	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+H"	1.007276
"1355736"	481.332576	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H"	1.007276
"139198"	481.332576	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+2H"	2.014552
"578028"	721.495226	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+2H"	2.014552
"1050475"	241.169926	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2H"	2.014552
"218985"	321.224142666667	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+3H"	3.021828
"659397"	481.332576	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+3H"	3.021828
"1173510"	161.115709333333	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+3H"	3.021828
"437878"	978.684423	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+NH4"	18.033823
"800824"	1459.009723	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+NH4"	18.033823
"1695205"	498.359123	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+NH4"	18.033823
"344455"	489.8458495	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+H+NH4"	19.041099
"736997"	730.0084995	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+H+NH4"	19.041099
"1489727"	249.6831995	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H+NH4"	19.041099
"397470"	983.639818	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+Na"	22.989218
"763932"	1463.965118	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+Na"	22.989218
"1609844"	503.314518	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Na"	22.989218
"323163"	492.323547	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+H+Na"	23.996494
"714490"	732.486197	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+H+Na"	23.996494
"1466123"	252.160897	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H+Na"	23.996494
"1057181"	168.443023333333	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2H+Na"	25.00377
"1263236"	513.358786	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+CH3OH+H"	33.033486
"388373"	999.613758	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+K"	38.963158
"743901"	1479.939058	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+K"	38.963158
"1543766"	519.288458	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+K"	38.963158
"302036"	500.310517	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+H+K"	39.970434
"693363"	740.473167	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+H+K"	39.970434
"1447183"	260.147867	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H+K"	39.970434
"236387"	1002.684426	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+ACN+H"	42.033826
"1210553"	522.359126	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+ACN+H"	42.033826
"1196751"	261.683201	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+ACN+2H"	43.041102
"189254"	1005.62176	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+2Na-H"	44.97116
"629169"	1485.94706	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+2Na-H"	44.97116
"1132676"	525.29646	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2Na-H"	44.97116
"173375"	503.314518	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+2Na"	45.978436
"613339"	743.477168	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+2Na"	45.978436
"1116157"	263.151868	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2Na"	45.978436
"1399282"	175.770337333333	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H+2Na"	46.985712
"1429906"	527.338046	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H+HCOOH"	47.012746
"220486"	508.34754	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+3H2O+2H"	56.04448
"1511356"	541.39009	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+IsoProp+H"	61.06479
"411403"	511.301488	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+Na+K"	61.952376
"773131"	751.464138	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+Na+K"	61.952376
"1669463"	271.138838	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Na+K"	61.952376
"253066"	1024.666368	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+ACN+Na"	64.015768
"1229055"	544.341068	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+ACN+Na"	64.015768
"1723047"	544.364593	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+NH4+HCOOH"	64.039293
"1180747"	183.097651333333	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+3Na"	68.967654
"1652823"	549.319988	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Na+HCOOH"	68.994688
"160053"	1037.56964	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+2K-H"	76.91904
"599979"	1517.89494	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+2K-H"	76.91904
"1086677"	557.24434	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2K-H"	76.91904
"143493"	519.288458	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"2M+2K"	77.926316
"585610"	759.451108	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"3M+2K"	77.926316
"1069512"	279.125808	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2K"	77.926316
"1105516"	559.258892	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2K+H"	78.933592
"1339715"	559.346507	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+DMSO+H"	79.021207
"1012620"	563.385676	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2ACN+H"	83.060376
"1530746"	564.379308	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+IsoProp+Na+H"	84.054008
"990995"	282.196476	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+2ACN+2H"	84.067652
"1588416"	565.293928	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+K+HCOOH"	84.968628
"1414430"	595.325438	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+H+CF3COOH"	115.000138
"1147237"	302.709751	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+3ACN+2H"	125.094202
"1698657"	612.351985	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+NH4+CF3COOH"	132.026685
"1634672"	617.30738	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+Na+CF3COOH"	136.98208
"1575068"	633.28132	"C09082"	"Borreverine"	"C32H40N4"	"480.3253"	"M+K+CF3COOH"	152.95602
"813089"	265.1579	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M"	0
"978966"	246.13951	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-H2O-H"	-19.01839
"70490"	175.764657333333	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M-3H"	-3.021828
"511144"	264.150624	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M-3H"	-3.021828
"885667"	87.3786906666667	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-3H"	-3.021828
"8615"	264.150624	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M-2H"	-2.014552
"448175"	396.729574	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M-2H"	-2.014552
"819420"	131.571674	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-2H"	-2.014552
"82691"	529.308524	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M-H"	-1.007276
"526632"	794.466424	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M-H"	-1.007276
"907710"	264.150624	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-H"	-1.007276
"59535"	546.335071	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M-2H+NH4"	16.019271
"498364"	811.492971	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M-2H+NH4"	16.019271
"873984"	281.177171	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-2H+NH4"	16.019271
"40791"	551.290466	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M-2H+Na"	20.974666
"482537"	816.448366	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M-2H+Na"	20.974666
"852682"	286.132566	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-2H+Na"	20.974666
"1619292"	286.132566	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Na-2H"	20.974666
"98018"	282.138963	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M-H+Cl"	33.962126
"535754"	414.717913	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M-H+Cl"	33.962126
"930734"	149.560013	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-H+Cl"	33.962126
"273668"	565.285202	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+Cl"	34.969402
"664997"	830.443102	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+Cl"	34.969402
"1280681"	300.127302	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Cl"	34.969402
"17405"	567.264406	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M-2H+K"	36.948606
"462799"	832.422306	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M-2H+K"	36.948606
"833670"	302.106506	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-2H+K"	36.948606
"1557527"	302.106506	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+K-2H"	36.948606
"943221"	310.156094	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-H+HCOOH"	44.998194
"362524"	575.314001	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+HCOOH-H"	44.998201
"346157"	589.329651	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+Hac-H"	59.013851
"1493532"	324.171751	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Hac-H"	59.013851
"960600"	332.138051	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-H+NaCOOH"	66.980151
"110425"	300.127302	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+2Cl"	69.938804
"550883"	432.706252	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+2Cl"	69.938804
"1021746"	167.548352	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2Cl"	69.938804
"1242546"	344.076785	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Br"	78.918885
"1304993"	346.132772	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Cl+HCOOH"	80.974872
"1333798"	368.114729	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Cl+NaCOOH"	102.956829
"921577"	378.143486	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M-H+CF3COOH"	112.985586
"1290143"	414.120164	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Cl+CF3COOH"	148.962264
"1374256"	230.145224	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H-2H2O"	-35.012676
"1385561"	248.1552	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H-H2O"	-17.0027
"284030"	531.323076	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+H"	1.007276
"676459"	796.480976	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+H"	1.007276
"1353658"	266.165176	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H"	1.007276
"138947"	266.165176	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+2H"	2.014552
"578138"	398.744126	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+2H"	2.014552
"1048762"	133.586226	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2H"	2.014552
"218124"	177.779209333333	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+3H"	3.021828
"656953"	266.165176	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+3H"	3.021828
"1174712"	89.3932426666667	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+3H"	3.021828
"436529"	548.349623	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+NH4"	18.033823
"798253"	813.507523	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+NH4"	18.033823
"1694951"	283.191723	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+NH4"	18.033823
"343957"	274.6784495	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+H+NH4"	19.041099
"736743"	407.2573995	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+H+NH4"	19.041099
"1487651"	142.0994995	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H+NH4"	19.041099
"398674"	553.305018	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+Na"	22.989218
"768417"	818.462918	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+Na"	22.989218
"1612140"	288.147118	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Na"	22.989218
"321086"	277.156147	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+H+Na"	23.996494
"713507"	409.735097	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+H+Na"	23.996494
"1466234"	144.577197	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H+Na"	23.996494
"1064948"	96.7205566666667	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2H+Na"	25.00377
"1265532"	298.191386	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+CH3OH+H"	33.033486
"387388"	569.278958	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+K"	38.963158
"741824"	834.436858	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+K"	38.963158
"1546062"	304.121058	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+K"	38.963158
"302144"	285.143117	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+H+K"	39.970434
"693473"	417.722067	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+H+K"	39.970434
"1450572"	152.564167	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H+K"	39.970434
"240268"	572.349626	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+ACN+H"	42.033826
"1210542"	307.191726	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+ACN+H"	42.033826
"1195643"	154.099501	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+ACN+2H"	43.041102
"193741"	575.28696	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+2Na-H"	44.97116
"629286"	840.44486	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+2Na-H"	44.97116
"1134982"	310.12906	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2Na-H"	44.97116
"177178"	288.147118	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+2Na"	45.978436
"621843"	420.726068	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+2Na"	45.978436
"1120246"	155.568168	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2Na"	45.978436
"1403770"	104.047870666667	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H+2Na"	46.985712
"1431265"	312.170646	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H+HCOOH"	47.012746
"222304"	293.18014	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+3H2O+2H"	56.04448
"1510733"	326.22269	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+IsoProp+H"	61.06479
"411513"	296.134088	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+Na+K"	61.952376
"773239"	428.713038	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+Na+K"	61.952376
"1669571"	163.555138	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Na+K"	61.952376
"253541"	594.331568	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+ACN+Na"	64.015768
"1228434"	329.173668	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+ACN+Na"	64.015768
"1722064"	329.197193	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+NH4+HCOOH"	64.039293
"1188513"	111.375184666667	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+3Na"	68.967654
"1653664"	334.152588	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Na+HCOOH"	68.994688
"167454"	607.23484	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+2K-H"	76.91904
"602641"	872.39274	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+2K-H"	76.91904
"1092621"	342.07694	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2K-H"	76.91904
"145061"	304.121058	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"2M+2K"	77.926316
"585718"	436.700008	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"3M+2K"	77.926316
"1073512"	171.542108	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2K"	77.926316
"1107815"	344.091492	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2K+H"	78.933592
"1342013"	344.179107	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+DMSO+H"	79.021207
"1011636"	348.218276	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2ACN+H"	83.060376
"1527575"	349.211908	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+IsoProp+Na+H"	84.054008
"991835"	174.612776	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+2ACN+2H"	84.067652
"1588525"	350.126528	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+K+HCOOH"	84.968628
"1414549"	380.158038	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+H+CF3COOH"	115.000138
"1151042"	195.126051	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+3ACN+2H"	125.094202
"1701688"	397.184585	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+NH4+CF3COOH"	132.026685
"1636246"	402.13998	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+Na+CF3COOH"	136.98208
"1574085"	418.11392	"C09083"	"Brevicolline"	"C17H19N3"	"265.1579"	"M+K+CF3COOH"	152.95602
"809919"	394.1893	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M"	0
"977983"	375.17091	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-H2O-H"	-19.01839
"70600"	261.785590666667	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M-3H"	-3.021828
"512348"	393.182024	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M-3H"	-3.021828
"885777"	130.389157333333	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-3H"	-3.021828
"8725"	393.182024	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M-2H"	-2.014552
"447194"	590.276674	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M-2H"	-2.014552
"822808"	196.087374	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-2H"	-2.014552
"81708"	787.371324	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M-H"	-1.007276
"530022"	1181.560624	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M-H"	-1.007276
"906728"	393.182024	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-H"	-1.007276
"61467"	804.397871	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M-2H+NH4"	16.019271
"498474"	1198.587171	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M-2H+NH4"	16.019271
"875188"	410.208571	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-2H+NH4"	16.019271
"44180"	809.353266	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M-2H+Na"	20.974666
"478271"	1203.542566	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M-2H+Na"	20.974666
"856072"	415.163966	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-2H+Na"	20.974666
"1619165"	415.163966	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Na-2H"	20.974666
"97035"	411.170363	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M-H+Cl"	33.962126
"535864"	608.265013	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M-H+Cl"	33.962126
"931937"	214.075713	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-H+Cl"	33.962126
"273778"	823.348002	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+Cl"	34.969402
"665107"	1217.537302	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+Cl"	34.969402
"1281884"	429.158702	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Cl"	34.969402
"17515"	825.327206	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M-2H+K"	36.948606
"462909"	1219.516506	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M-2H+K"	36.948606
"834145"	431.137906	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-2H+K"	36.948606
"1557637"	431.137906	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+K-2H"	36.948606
"942966"	439.187494	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-H+HCOOH"	44.998194
"361567"	833.376801	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+HCOOH-H"	44.998201
"346631"	847.392451	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+Hac-H"	59.013851
"1493642"	453.203151	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Hac-H"	59.013851
"958996"	461.169451	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-H+NaCOOH"	66.980151
"110373"	429.158702	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+2Cl"	69.938804
"550174"	626.253352	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+2Cl"	69.938804
"1021725"	232.064052	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2Cl"	69.938804
"1241506"	473.108185	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Br"	78.918885
"1304370"	475.164172	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Cl+HCOOH"	80.974872
"1328441"	497.146129	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Cl+NaCOOH"	102.956829
"921687"	507.174886	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M-H+CF3COOH"	112.985586
"1289284"	543.151564	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Cl+CF3COOH"	148.962264
"1368903"	359.176624	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H-2H2O"	-35.012676
"1384578"	377.1866	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H-H2O"	-17.0027
"283370"	789.385876	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+H"	1.007276
"679607"	1183.575176	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+H"	1.007276
"1355955"	395.196576	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H"	1.007276
"140515"	395.196576	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+2H"	2.014552
"574968"	592.291226	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+2H"	2.014552
"1052727"	198.101926	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2H"	2.014552
"218963"	263.800142666667	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+3H"	3.021828
"655603"	395.196576	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+3H"	3.021828
"1172635"	132.403709333333	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+3H"	3.021828
"438461"	806.412423	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+NH4"	18.033823
"798727"	1200.601723	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+NH4"	18.033823
"1694331"	412.223123	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+NH4"	18.033823
"343702"	403.7098495	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+H+NH4"	19.041099
"736488"	600.8044995	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+H+NH4"	19.041099
"1491769"	206.6151995	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H+NH4"	19.041099
"400970"	811.367818	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+Na"	22.989218
"768162"	1205.557118	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+Na"	22.989218
"1611156"	417.178518	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Na"	22.989218
"323380"	406.187547	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+H+Na"	23.996494
"713617"	603.282197	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+H+Na"	23.996494
"1466341"	209.092897	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H+Na"	23.996494
"1063964"	139.731023333333	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2H+Na"	25.00377
"1265641"	427.222786	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+CH3OH+H"	33.033486
"382030"	827.341758	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+K"	38.963158
"741934"	1221.531058	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+K"	38.963158
"1546172"	433.152458	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+K"	38.963158
"301525"	414.174517	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+H+K"	39.970434
"693947"	611.269167	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+H+K"	39.970434
"1452869"	217.079867	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H+K"	39.970434
"240378"	830.412426	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+ACN+H"	42.033826
"1210534"	436.223126	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+ACN+H"	42.033826
"1195511"	218.615201	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+ACN+2H"	43.041102
"194215"	833.34976	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+2Na-H"	44.97116
"629154"	1227.53906	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+2Na-H"	44.97116
"1135093"	439.16046	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2Na-H"	44.97116
"179477"	417.178518	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+2Na"	45.978436
"621224"	614.273168	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+2Na"	45.978436
"1121449"	220.083868	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2Na"	45.978436
"1403880"	147.058337333333	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H+2Na"	46.985712
"1430524"	441.202046	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H+HCOOH"	47.012746
"222413"	422.21154	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+3H2O+2H"	56.04448
"1509747"	455.25409	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+IsoProp+H"	61.06479
"409553"	425.165488	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+Na+K"	61.952376
"770915"	622.260138	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+Na+K"	61.952376
"1667129"	228.070838	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Na+K"	61.952376
"253647"	852.394368	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+ACN+Na"	64.015768
"1228180"	458.205068	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+ACN+Na"	64.015768
"1719257"	458.228593	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+NH4+HCOOH"	64.039293
"1180601"	154.385651333333	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+3Na"	68.967654
"1650614"	463.183988	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Na+HCOOH"	68.994688
"164284"	865.29764	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+2K-H"	76.91904
"604936"	1259.48694	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+2K-H"	76.91904
"1090544"	471.10834	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2K-H"	76.91904
"144444"	433.152458	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"2M+2K"	77.926316
"585828"	630.247108	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"3M+2K"	77.926316
"1072528"	236.057808	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2K"	77.926316
"1103550"	473.122892	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2K+H"	78.933592
"1345402"	473.210507	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+DMSO+H"	79.021207
"1011746"	477.249676	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2ACN+H"	83.060376
"1528779"	478.243308	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+IsoProp+Na+H"	84.054008
"990281"	239.128476	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+2ACN+2H"	84.067652
"1587336"	479.157928	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+K+HCOOH"	84.968628
"1414781"	509.189438	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+H+CF3COOH"	115.000138
"1152245"	259.641751	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+3ACN+2H"	125.094202
"1700338"	526.215985	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+NH4+CF3COOH"	132.026685
"1636356"	531.17138	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+Na+CF3COOH"	136.98208
"1575288"	547.14532	"C09084"	"Brucine"	"C23H26N2O4"	"394.1893"	"M+K+CF3COOH"	152.95602
"810030"	616.3777	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M"	0
"981373"	597.35931	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-H2O-H"	-19.01839
"70711"	409.911190666667	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M-3H"	-3.021828
"516472"	615.370424	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M-3H"	-3.021828
"886981"	204.451957333333	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-3H"	-3.021828
"5557"	615.370424	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M-2H"	-2.014552
"448399"	923.559274	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M-2H"	-2.014552
"822921"	307.181574	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-2H"	-2.014552
"92758"	1231.748124	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M-H"	-1.007276
"524663"	1848.125824	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M-H"	-1.007276
"900278"	615.370424	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-H"	-1.007276
"57935"	1248.774671	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M-2H+NH4"	16.019271
"498589"	1865.152371	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M-2H+NH4"	16.019271
"876389"	632.396971	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-2H+NH4"	16.019271
"43197"	1253.730066	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M-2H+Na"	20.974666
"477289"	1870.107766	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M-2H+Na"	20.974666
"851811"	637.352366	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-2H+Na"	20.974666
"1620979"	637.352366	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Na-2H"	20.974666
"98238"	633.358763	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M-H+Cl"	33.962126
"537432"	941.547613	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M-H+Cl"	33.962126
"930588"	325.169913	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-H+Cl"	33.962126
"272794"	1267.724802	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+Cl"	34.969402
"665217"	1884.102502	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+Cl"	34.969402
"1278714"	651.347102	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Cl"	34.969402
"18354"	1269.704006	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M-2H+K"	36.948606
"463019"	1886.081706	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M-2H+K"	36.948606
"833650"	653.326306	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-2H+K"	36.948606
"1558840"	653.326306	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+K-2H"	36.948606
"944535"	661.375894	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-H+HCOOH"	44.998194
"362139"	1277.753601	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+HCOOH-H"	44.998201
"346259"	1291.769251	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+Hac-H"	59.013851
"1492788"	675.391551	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Hac-H"	59.013851
"958507"	683.357851	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-H+NaCOOH"	66.980151
"110043"	651.347102	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+2Cl"	69.938804
"551589"	959.535952	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+2Cl"	69.938804
"1021480"	343.158252	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2Cl"	69.938804
"1241429"	695.296585	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Br"	78.918885
"1305088"	697.352572	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Cl+HCOOH"	80.974872
"1327457"	719.334529	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Cl+NaCOOH"	102.956829
"921797"	729.363286	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M-H+CF3COOH"	112.985586
"1289392"	765.339964	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Cl+CF3COOH"	148.962264
"1369014"	581.365024	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H-2H2O"	-35.012676
"1385417"	599.375	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H-H2O"	-17.0027
"283279"	1233.762676	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+H"	1.007276
"679717"	1850.140376	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+H"	1.007276
"1353878"	617.384976	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H"	1.007276
"139164"	617.384976	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+2H"	2.014552
"578357"	925.573826	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+2H"	2.014552
"1050805"	309.196126	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2H"	2.014552
"217852"	411.925742666667	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+3H"	3.021828
"658505"	617.384976	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+3H"	3.021828
"1176029"	206.466509333333	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+3H"	3.021828
"438206"	1250.789223	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+NH4"	18.033823
"796649"	1867.166923	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+NH4"	18.033823
"1694803"	634.411523	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+NH4"	18.033823
"338343"	625.8982495	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+H+NH4"	19.041099
"735139"	934.0870995	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+H+NH4"	19.041099
"1491148"	317.7093995	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H+NH4"	19.041099
"401080"	1255.744618	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+Na"	22.989218
"763167"	1872.122318	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+Na"	22.989218
"1609078"	639.366918	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Na"	22.989218
"327862"	628.375947	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+H+Na"	23.996494
"717004"	936.564797	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+H+Na"	23.996494
"1464265"	320.187097	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H+Na"	23.996494
"1062980"	213.793823333333	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2H+Na"	25.00377
"1264657"	649.411186	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+CH3OH+H"	33.033486
"385418"	1271.718558	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+K"	38.963158
"743138"	1888.096258	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+K"	38.963158
"1545187"	655.340858	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+K"	38.963158
"304551"	636.362917	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+H+K"	39.970434
"694057"	944.551767	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+H+K"	39.970434
"1452979"	328.174067	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H+K"	39.970434
"239029"	1274.789226	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+ACN+H"	42.033826
"1211010"	658.411526	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+ACN+H"	42.033826
"1198173"	329.709401	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+ACN+2H"	43.041102
"194324"	1277.72656	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+2Na-H"	44.97116
"634978"	1894.10426	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+2Na-H"	44.97116
"1133745"	661.34886	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2Na-H"	44.97116
"178494"	639.366918	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+2Na"	45.978436
"619147"	947.555768	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+2Na"	45.978436
"1120101"	331.178068	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2Na"	45.978436
"1401074"	221.121137333333	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H+2Na"	46.985712
"1430879"	663.390446	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H+HCOOH"	47.012746
"222524"	644.39994	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+3H2O+2H"	56.04448
"1510221"	677.44249	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+IsoProp+H"	61.06479
"409541"	647.353888	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+Na+K"	61.952376
"771636"	955.542738	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+Na+K"	61.952376
"1669791"	339.165038	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Na+K"	61.952376
"255583"	1296.771168	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+ACN+Na"	64.015768
"1229021"	680.393468	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+ACN+Na"	64.015768
"1721190"	680.416993	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+NH4+HCOOH"	64.039293
"1183263"	228.448451333333	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+3Na"	68.967654
"1653156"	685.372388	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Na+HCOOH"	68.994688
"166582"	1309.67444	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+2K-H"	76.91904
"603953"	1926.05214	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+2K-H"	76.91904
"1090654"	693.29674	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2K-H"	76.91904
"144190"	655.340858	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"2M+2K"	77.926316
"589218"	963.529708	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"3M+2K"	77.926316
"1072638"	347.152008	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2K"	77.926316
"1106940"	695.311292	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2K+H"	78.933592
"1336643"	695.398907	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+DMSO+H"	79.021207
"1009671"	699.438076	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2ACN+H"	83.060376
"1525244"	700.431708	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+IsoProp+Na+H"	84.054008
"990230"	350.222676	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+2ACN+2H"	84.067652
"1587893"	701.346328	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+K+HCOOH"	84.968628
"1414892"	731.377838	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+H+CF3COOH"	115.000138
"1147979"	370.735951	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+3ACN+2H"	125.094202
"1700448"	748.404385	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+NH4+CF3COOH"	132.026685
"1636466"	753.35978	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+Na+CF3COOH"	136.98208
"1575398"	769.33372	"C09085"	"Calebassone;C-Calebassine"	"C40H48N4O2"	"616.3777"	"M+K+CF3COOH"	152.95602
"811233"	474.2618	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M"	0
"981483"	455.24341	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-H2O-H"	-19.01839
"73008"	315.167257333333	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M-3H"	-3.021828
"514759"	473.254524	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M-3H"	-3.021828
"887092"	157.079990666667	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-3H"	-3.021828
"6760"	473.254524	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M-2H"	-2.014552
"448510"	710.385424	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M-2H"	-2.014552
"827407"	236.123624	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-2H"	-2.014552
"94051"	947.516324	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M-H"	-1.007276
"524773"	1421.778124	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M-H"	-1.007276
"899295"	473.254524	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-H"	-1.007276
"54763"	964.542871	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M-2H+NH4"	16.019271
"498700"	1438.804671	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M-2H+NH4"	16.019271
"872127"	490.281071	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-2H+NH4"	16.019271
"42214"	969.498266	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M-2H+Na"	20.974666
"475577"	1443.760066	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M-2H+Na"	20.974666
"852652"	495.236466	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-2H+Na"	20.974666
"1619266"	495.236466	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Na-2H"	20.974666
"96162"	491.242863	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M-H+Cl"	33.962126
"536815"	728.373763	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M-H+Cl"	33.962126
"929969"	254.111963	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-H+Cl"	33.962126
"268284"	983.493002	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+Cl"	34.969402
"662044"	1457.754802	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+Cl"	34.969402
"1275542"	509.231202	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Cl"	34.969402
"18463"	985.472206	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M-2H+K"	36.948606
"463128"	1459.734006	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M-2H+K"	36.948606
"833067"	511.210406	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-2H+K"	36.948606
"1557856"	511.210406	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+K-2H"	36.948606
"943386"	519.259994	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-H+HCOOH"	44.998194
"361648"	993.521801	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+HCOOH-H"	44.998201
"346491"	1007.537451	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+Hac-H"	59.013851
"1493742"	533.275651	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Hac-H"	59.013851
"958733"	541.241951	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-H+NaCOOH"	66.980151
"110094"	509.231202	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+2Cl"	69.938804
"551583"	746.362102	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+2Cl"	69.938804
"1021426"	272.100302	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2Cl"	69.938804
"1241532"	553.180685	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Br"	78.918885
"1304589"	555.236672	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Cl+HCOOH"	80.974872
"1327567"	577.218629	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Cl+NaCOOH"	102.956829
"921907"	587.247386	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M-H+CF3COOH"	112.985586
"1291329"	623.224064	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Cl+CF3COOH"	148.962264
"1369125"	439.249124	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H-2H2O"	-35.012676
"1383583"	457.2591	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H-H2O"	-17.0027
"283066"	949.530876	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+H"	1.007276
"683107"	1423.792676	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+H"	1.007276
"1356174"	475.269076	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H"	1.007276
"139638"	475.269076	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+2H"	2.014552
"576280"	712.399976	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+2H"	2.014552
"1045079"	238.138176	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2H"	2.014552
"218083"	317.181809333333	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+3H"	3.021828
"655819"	475.269076	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+3H"	3.021828
"1177232"	159.094542666667	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+3H"	3.021828
"438802"	966.557423	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+NH4"	18.033823
"798581"	1440.819223	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+NH4"	18.033823
"1691265"	492.295623	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+NH4"	18.033823
"338453"	483.7823495	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+H+NH4"	19.041099
"727594"	720.9132495	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+H+NH4"	19.041099
"1487977"	246.6514495	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H+NH4"	19.041099
"401188"	971.512818	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+Na"	22.989218
"761089"	1445.774618	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+Na"	22.989218
"1608094"	497.251018	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Na"	22.989218
"315945"	486.260047	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+H+Na"	23.996494
"714927"	723.390947	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+H+Na"	23.996494
"1467658"	249.129147	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H+Na"	23.996494
"1061997"	166.421856666667	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2H+Na"	25.00377
"1261487"	507.295286	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+CH3OH+H"	33.033486
"384437"	987.486758	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+K"	38.963158
"741425"	1461.748558	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+K"	38.963158
"1542384"	513.224958	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+K"	38.963158
"301381"	494.247017	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+H+K"	39.970434
"699270"	731.377917	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+H+K"	39.970434
"1451996"	257.116117	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H+K"	39.970434
"240232"	990.557426	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+ACN+H"	42.033826
"1214400"	516.295626	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+ACN+H"	42.033826
"1197190"	258.651451	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+ACN+2H"	43.041102
"195529"	993.49476	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+2Na-H"	44.97116
"628892"	1467.75656	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+2Na-H"	44.97116
"1137138"	519.23296	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2Na-H"	44.97116
"174227"	497.251018	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+2Na"	45.978436
"620715"	734.381918	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+2Na"	45.978436
"1118754"	260.120118	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2Na"	45.978436
"1402277"	173.749170666667	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H+2Na"	46.985712
"1430423"	521.274546	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H+HCOOH"	47.012746
"220929"	502.28404	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+3H2O+2H"	56.04448
"1508907"	535.32659	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+IsoProp+H"	61.06479
"409081"	505.237988	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+Na+K"	61.952376
"770280"	742.368888	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+Na+K"	61.952376
"1666619"	268.107088	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Na+K"	61.952376
"251801"	1012.539368	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+ACN+Na"	64.015768
"1229860"	538.277568	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+ACN+Na"	64.015768
"1714008"	538.301093	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+NH4+HCOOH"	64.039293
"1181186"	181.076484666667	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+3Na"	68.967654
"1650469"	543.256488	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Na+HCOOH"	68.994688
"162318"	1025.44264	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+2K-H"	76.91904
"598594"	1499.70444	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+2K-H"	76.91904
"1086388"	551.18084	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2K-H"	76.91904
"141697"	513.224958	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"2M+2K"	77.926316
"582035"	750.355858	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"3M+2K"	77.926316
"1068766"	276.094058	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2K"	77.926316
"1103770"	553.195392	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2K+H"	78.933592
"1335892"	553.283007	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+DMSO+H"	79.021207
"1008686"	557.322176	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2ACN+H"	83.060376
"1524227"	558.315808	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+IsoProp+Na+H"	84.054008
"990209"	279.164726	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+2ACN+2H"	84.067652
"1587106"	559.230428	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+K+HCOOH"	84.968628
"1414348"	589.261938	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+H+CF3COOH"	115.000138
"1150277"	299.678001	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+3ACN+2H"	125.094202
"1697640"	606.288485	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+NH4+CF3COOH"	132.026685
"1634750"	611.24388	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+Na+CF3COOH"	136.98208
"1575508"	627.21782	"C09086"	"Diterpenoid EF-D;12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate"	"C27H38O7"	"474.2618"	"M+K+CF3COOH"	152.95602
"816083"	336.2301	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M"	0
"988158"	317.21171	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"77492"	223.146124	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"513772"	335.222824	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"889389"	111.069424	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"9059"	335.222824	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"452994"	503.337874	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"828610"	167.107774	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"90790"	671.452924	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"527073"	1007.683024	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"900133"	335.222824	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"61314"	688.479471	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"502096"	1024.709571	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"877703"	352.249371	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"35399"	693.434866	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"475323"	1029.664966	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"853488"	357.204766	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1627036"	357.204766	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"100285"	353.211163	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"539112"	521.326213	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"933362"	185.096113	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"273014"	707.429602	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"666530"	1043.659702	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1281120"	371.199502	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"21489"	709.408806	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"461051"	1045.638906	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"837761"	373.178706	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1556627"	373.178706	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"943658"	381.228294	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"363087"	717.458401	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"346037"	731.474051	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1493730"	395.243951	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"958963"	403.210251	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"110792"	371.199502	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"550959"	539.314552	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1022188"	203.084452	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1241893"	415.148985	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1304309"	417.204972	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1327677"	439.186929	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"918736"	449.215686	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1294355"	485.192364	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1369237"	301.217424	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1384180"	319.2274	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"290794"	673.467476	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"683217"	1009.697576	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1355191"	337.237376	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"139747"	337.237376	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"578577"	505.352426	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1050297"	169.122326	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"218072"	225.160676	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"653743"	337.237376	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1171871"	113.083976	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"439405"	690.494023	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"792862"	1026.724123	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1692472"	354.263923	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"339656"	345.7506495	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"732080"	513.8656995	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1484807"	177.6355995	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"404215"	695.449418	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"763387"	1031.679518	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1613672"	359.219318	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"316055"	348.228347	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"717228"	516.343397	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1469955"	180.113297	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1061013"	120.41129	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1261601"	369.263586	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"381268"	711.423358	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"739833"	1047.653458	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1544317"	375.193258	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"298938"	356.215317	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"697193"	524.330367	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1453200"	188.100267	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"238156"	714.494026	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1212688"	378.263926	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1194380"	189.635601	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"194181"	717.43136	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"633011"	1053.66146	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1132506"	381.20126	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"173052"	359.219318	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"617179"	527.334368	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1115941"	191.104268	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1401295"	127.738604	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1430166"	383.242846	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"220670"	364.25234	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1508589"	397.29489	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"408776"	367.206288	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"770539"	535.321338	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1665745"	199.091238	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"252276"	736.475968	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1225955"	400.245868	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1714482"	400.269393	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1180202"	135.065918	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1657022"	405.224788	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"166801"	749.37924	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"606364"	1085.60934	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1087959"	413.14914	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"146599"	375.193258	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"583973"	543.308308	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1071765"	207.078208	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1106067"	415.163692	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1339172"	415.251307	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1006363"	419.290476	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1524609"	420.284108	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"993369"	210.148876	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1587263"	421.198728	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1414504"	451.230238	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1150387"	230.662151	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1701031"	468.256785	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1643248"	473.21218	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1576711"	489.18612	"C09087"	"Diterpenoid SP-II"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"804889"	688.3625	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M"	0
"986810"	669.34411	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-H2O-H"	-19.01839
"69949"	457.901057333333	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M-3H"	-3.021828
"511698"	687.355224	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M-3H"	-3.021828
"882939"	228.446890666667	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-3H"	-3.021828
"6982"	687.355224	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M-2H"	-2.014552
"450919"	1031.536474	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M-2H"	-2.014552
"823253"	343.173974	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-2H"	-2.014552
"93335"	1375.717724	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M-H"	-1.007276
"531556"	2064.080224	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M-H"	-1.007276
"902797"	687.355224	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-H"	-1.007276
"56079"	1392.744271	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M-2H+NH4"	16.019271
"495640"	2081.106771	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M-2H+NH4"	16.019271
"875629"	704.381771	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-2H+NH4"	16.019271
"46202"	1397.699666	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M-2H+Na"	20.974666
"477986"	2086.062166	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M-2H+Na"	20.974666
"854329"	709.337166	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-2H+Na"	20.974666
"1627146"	709.337166	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Na-2H"	20.974666
"96746"	705.343563	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M-H+Cl"	33.962126
"536306"	1049.524813	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M-H+Cl"	33.962126
"930190"	361.162313	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-H+Cl"	33.962126
"278593"	1411.694402	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+Cl"	34.969402
"665547"	2100.056902	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+Cl"	34.969402
"1285242"	723.331902	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Cl"	34.969402
"22695"	1413.673606	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M-2H+K"	36.948606
"460066"	2102.036106	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M-2H+K"	36.948606
"837870"	725.311106	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-2H+K"	36.948606
"1556011"	725.311106	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+K-2H"	36.948606
"943397"	733.360694	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-H+HCOOH"	44.998194
"361777"	1421.723201	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+HCOOH-H"	44.998201
"346267"	1435.738851	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+Hac-H"	59.013851
"1493962"	747.376351	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Hac-H"	59.013851
"959317"	755.342651	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-H+NaCOOH"	66.980151
"110412"	723.331902	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+2Cl"	69.938804
"550220"	1067.513152	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+2Cl"	69.938804
"1022052"	379.150652	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2Cl"	69.938804
"1241554"	767.281385	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Br"	78.918885
"1304331"	769.337372	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Cl+HCOOH"	80.974872
"1326694"	791.319329	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Cl+NaCOOH"	102.956829
"918846"	801.348086	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M-H+CF3COOH"	112.985586
"1292278"	837.324764	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Cl+CF3COOH"	148.962264
"1372627"	653.349824	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H-2H2O"	-35.012676
"1383316"	671.3598	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H-H2O"	-17.0027
"286532"	1377.732276	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+H"	1.007276
"687701"	2066.094776	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+H"	1.007276
"1359676"	689.369776	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H"	1.007276
"140222"	689.369776	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+2H"	2.014552
"576501"	1033.551026	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+2H"	2.014552
"1044208"	345.188526	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2H"	2.014552
"212107"	459.915609333333	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+3H"	3.021828
"652761"	689.369776	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+3H"	3.021828
"1176961"	230.461442666667	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+3H"	3.021828
"436344"	1394.758823	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+NH4"	18.033823
"798434"	2083.121323	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+NH4"	18.033823
"1695496"	706.396323	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+NH4"	18.033823
"340855"	697.8830495	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+H+NH4"	19.041099
"729269"	1042.0642995	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+H+NH4"	19.041099
"1486007"	353.7017995	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H+NH4"	19.041099
"395941"	1399.714218	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+Na"	22.989218
"761310"	2088.076718	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+Na"	22.989218
"1610502"	711.351718	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Na"	22.989218
"318353"	700.360747	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+H+Na"	23.996494
"714057"	1044.541997	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+H+Na"	23.996494
"1468971"	356.179497	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H+Na"	23.996494
"1056751"	237.788756666667	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2H+Na"	25.00377
"1257821"	721.395986	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+CH3OH+H"	33.033486
"378462"	1415.688158	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+K"	38.963158
"742005"	2104.050658	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+K"	38.963158
"1542599"	727.325658	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+K"	38.963158
"303787"	708.347717	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+H+K"	39.970434
"694022"	1052.528967	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+H+K"	39.970434
"1446383"	364.166467	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H+K"	39.970434
"237173"	1418.758826	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+ACN+H"	42.033826
"1210976"	730.396326	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+ACN+H"	42.033826
"1194733"	365.701801	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+ACN+2H"	43.041102
"189182"	1421.69616	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+2Na-H"	44.97116
"629591"	2110.05866	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+2Na-H"	44.97116
"1132124"	733.33366	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2Na-H"	44.97116
"174689"	711.351718	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+2Na"	45.978436
"613883"	1055.532968	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+2Na"	45.978436
"1116780"	367.170468	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2Na"	45.978436
"1399703"	245.116070666667	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H+2Na"	46.985712
"1430717"	735.375246	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H+HCOOH"	47.012746
"221024"	716.38474	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+3H2O+2H"	56.04448
"1509088"	749.42729	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+IsoProp+H"	61.06479
"408852"	719.338688	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+Na+K"	61.952376
"770740"	1063.519938	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+Na+K"	61.952376
"1666021"	375.157438	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Na+K"	61.952376
"251776"	1440.740768	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+ACN+Na"	64.015768
"1226307"	752.378268	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+ACN+Na"	64.015768
"1713131"	752.401793	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+NH4+HCOOH"	64.039293
"1183594"	252.443384666667	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+3Na"	68.967654
"1657864"	757.357188	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Na+HCOOH"	68.994688
"161808"	1453.64404	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+2K-H"	76.91904
"603194"	2142.00654	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+2K-H"	76.91904
"1086245"	765.28154	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2K-H"	76.91904
"143063"	727.325658	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"2M+2K"	77.926316
"582139"	1071.506908	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"3M+2K"	77.926316
"1068711"	383.144408	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2K"	77.926316
"1101438"	767.296092	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2K+H"	78.933592
"1339283"	767.383707	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+DMSO+H"	79.021207
"1005987"	771.422876	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2ACN+H"	83.060376
"1524363"	772.416508	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+IsoProp+Na+H"	84.054008
"990105"	386.215076	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+2ACN+2H"	84.067652
"1587373"	773.331128	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+K+HCOOH"	84.968628
"1415104"	803.362638	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+H+CF3COOH"	115.000138
"1154873"	406.728351	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+3ACN+2H"	125.094202
"1698959"	820.389185	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+NH4+CF3COOH"	132.026685
"1645546"	825.34458	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+Na+CF3COOH"	136.98208
"1575728"	841.31852	"C09088"	"Callichiline"	"C42H48N4O5"	"688.3625"	"M+K+CF3COOH"	152.95602
"804999"	186.1157	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M"	0
"984002"	167.09731	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-H2O-H"	-19.01839
"71152"	123.069857333333	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M-3H"	-3.021828
"513993"	185.108424	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M-3H"	-3.021828
"884143"	61.0312906666667	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-3H"	-3.021828
"3812"	185.108424	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M-2H"	-2.014552
"448840"	278.166274	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M-2H"	-2.014552
"825549"	92.050574	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-2H"	-2.014552
"92715"	371.224124	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M-H"	-1.007276
"532761"	557.339824	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M-H"	-1.007276
"906186"	185.108424	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-H"	-1.007276
"58375"	388.250671	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M-2H+NH4"	16.019271
"497936"	574.366371	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M-2H+NH4"	16.019271
"878534"	202.134971	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-2H+NH4"	16.019271
"44730"	393.206066	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M-2H+Na"	20.974666
"482105"	579.321766	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M-2H+Na"	20.974666
"855898"	207.090366	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-2H+Na"	20.974666
"1630536"	207.090366	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Na-2H"	20.974666
"100868"	203.096763	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M-H+Cl"	33.962126
"542252"	296.154613	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M-H+Cl"	33.962126
"930301"	110.038913	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-H+Cl"	33.962126
"278704"	407.200802	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+Cl"	34.969402
"666750"	593.316502	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+Cl"	34.969402
"1285352"	221.085102	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Cl"	34.969402
"26085"	409.180006	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M-2H+K"	36.948606
"461270"	595.295706	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M-2H+K"	36.948606
"837981"	223.064306	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-2H+K"	36.948606
"1556606"	223.064306	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+K-2H"	36.948606
"944366"	231.113894	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-H+HCOOH"	44.998194
"361889"	417.229601	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+HCOOH-H"	44.998201
"346582"	431.245251	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+Hac-H"	59.013851
"1493350"	245.129551	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Hac-H"	59.013851
"959064"	253.095851	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-H+NaCOOH"	66.980151
"110403"	221.085102	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+2Cl"	69.938804
"550574"	314.142952	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+2Cl"	69.938804
"1021800"	128.027252	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2Cl"	69.938804
"1244668"	265.034585	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Br"	78.918885
"1305415"	267.090572	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Cl+HCOOH"	80.974872
"1326804"	289.072529	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Cl+NaCOOH"	102.956829
"918957"	299.101286	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M-H+CF3COOH"	112.985586
"1295668"	335.077964	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Cl+CF3COOH"	148.962264
"1373830"	151.103024	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H-2H2O"	-35.012676
"1389140"	169.113	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H-H2O"	-17.0027
"289921"	373.238676	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+H"	1.007276
"684530"	559.354376	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+H"	1.007276
"1360880"	187.122976	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H"	1.007276
"140336"	187.122976	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+2H"	2.014552
"579527"	280.180826	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+2H"	2.014552
"1045410"	94.065126	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2H"	2.014552
"212218"	125.084409333333	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+3H"	3.021828
"653965"	187.122976	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+3H"	3.021828
"1177684"	63.0458426666667	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+3H"	3.021828
"438519"	390.265223	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+NH4"	18.033823
"800249"	576.380923	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+NH4"	18.033823
"1693418"	204.149523	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+NH4"	18.033823
"339873"	195.6362495	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+H+NH4"	19.041099
"733388"	288.6940995	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+H+NH4"	19.041099
"1479557"	102.5783995	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H+NH4"	19.041099
"397143"	395.220618	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+Na"	22.989218
"760327"	581.336318	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+Na"	22.989218
"1612801"	209.104918	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Na"	22.989218
"321743"	198.113947	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+H+Na"	23.996494
"717448"	291.171797	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+H+Na"	23.996494
"1472362"	105.056097	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H+Na"	23.996494
"1065607"	70.3731566666667	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2H+Na"	25.00377
"1265101"	219.149186	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+CH3OH+H"	33.033486
"379300"	411.194558	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+K"	38.963158
"739199"	597.310258	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+K"	38.963158
"1543443"	225.078858	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+K"	38.963158
"303899"	206.100917	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+H+K"	39.970434
"695227"	299.158767	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+H+K"	39.970434
"1447588"	113.043067	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H+K"	39.970434
"236433"	414.265226	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+ACN+H"	42.033826
"1211210"	228.149526	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+ACN+H"	42.033826
"1196305"	114.578401	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+ACN+2H"	43.041102
"189537"	417.20256	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+2Na-H"	44.97116
"629218"	603.31826	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+2Na-H"	44.97116
"1131952"	231.08686	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2Na-H"	44.97116
"175771"	209.104918	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+2Na"	45.978436
"614603"	302.162768	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+2Na"	45.978436
"1117256"	116.047068	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2Na"	45.978436
"1399932"	77.7004706666667	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H+2Na"	46.985712
"1430588"	233.128446	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H+HCOOH"	47.012746
"220888"	214.13794	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+3H2O+2H"	56.04448
"1508949"	247.18049	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+IsoProp+H"	61.06479
"409365"	217.091888	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+Na+K"	61.952376
"770726"	310.149738	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+Na+K"	61.952376
"1665883"	124.034038	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Na+K"	61.952376
"252005"	436.247168	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+ACN+Na"	64.015768
"1226206"	250.131468	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+ACN+Na"	64.015768
"1713972"	250.154993	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+NH4+HCOOH"	64.039293
"1179567"	85.0277846666667	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+3Na"	68.967654
"1652503"	255.110388	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Na+HCOOH"	68.994688
"161554"	449.15044	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+2K-H"	76.91904
"604396"	635.26614	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+2K-H"	76.91904
"1086722"	263.03474	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2K-H"	76.91904
"146819"	225.078858	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"2M+2K"	77.926316
"584194"	318.136708	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"3M+2K"	77.926316
"1069672"	132.021008	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2K"	77.926316
"1101183"	265.049292	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2K+H"	78.933592
"1339393"	265.136907	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+DMSO+H"	79.021207
"1005971"	269.176076	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2ACN+H"	83.060376
"1524456"	270.169708	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+IsoProp+Na+H"	84.054008
"990294"	135.091676	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+2ACN+2H"	84.067652
"1587358"	271.084328	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+K+HCOOH"	84.968628
"1414843"	301.115838	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+H+CF3COOH"	115.000138
"1154983"	155.604951	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+3ACN+2H"	125.094202
"1700162"	318.142385	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+NH4+CF3COOH"	132.026685
"1645656"	323.09778	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+Na+CF3COOH"	136.98208
"1575838"	339.07172	"C09089"	"Calligonine;Elaeagnine;Tetrahydroharman"	"C12H14N2"	"186.1157"	"M+K+CF3COOH"	152.95602
"805109"	362.1729	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M"	0
"984112"	343.15451	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"71262"	240.441324	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"515196"	361.165624	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"887533"	119.717024	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"2824"	361.165624	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"445668"	542.252074	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"830033"	180.079174	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"86747"	723.338524	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"529590"	1085.511424	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"906298"	361.165624	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"53019"	740.365071	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"496953"	1102.537971	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"875849"	378.192171	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"44841"	745.320466	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"474196"	1107.493366	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"852728"	383.147566	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1627366"	383.147566	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"97333"	379.153963	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"538717"	560.240413	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"930411"	198.067513	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"278814"	759.315202	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"670139"	1121.488102	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1285826"	397.142302	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"28381"	761.294406	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"462473"	1123.467306	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"839184"	399.121506	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1557324"	399.121506	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"944476"	407.171094	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"362324"	769.344001	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"346816"	783.359651	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1495287"	421.186751	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"960640"	429.153051	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"110150"	397.142302	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"550443"	578.228752	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1021429"	216.055852	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1242710"	441.091785	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1305404"	443.147772	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1326914"	465.129729	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"919067"	475.158486	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1294685"	511.135164	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1371753"	327.160224	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1384873"	345.1702	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"288938"	725.353076	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"683546"	1087.525976	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1358802"	363.180176	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"139716"	363.180176	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"578544"	544.266626	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1042604"	182.093726	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"212328"	242.455876	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"650795"	363.180176	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1177546"	121.731576	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"435468"	742.379623	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"799748"	1104.552523	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1690611"	380.206723	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"336702"	371.6934495	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"733495"	552.7798995	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1480760"	190.6069995	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"398347"	747.335018	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"761530"	1109.507918	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1611817"	385.162118	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"320760"	374.171147	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"714277"	555.257597	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1469192"	193.084697	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1054783"	129.05889	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1261930"	395.206386	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"377827"	763.308958	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"740399"	1125.481858	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1540753"	401.136058	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"299026"	382.158117	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"692785"	563.244567	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1445790"	201.071667	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"238125"	766.379626	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1211197"	404.206726	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1194548"	202.607001	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"189529"	769.31696	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"629209"	1131.48986	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1131742"	407.14406	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"175033"	385.162118	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"614349"	566.248568	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1117125"	204.075668	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1401986"	136.386204	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1431186"	409.185646	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"220878"	390.19514	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1508777"	423.23769	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"409356"	393.149088	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"771081"	574.235538	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1666201"	212.062638	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"252480"	788.361568	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1227005"	426.188668	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1713834"	426.212193	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1179153"	143.713518	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1651519"	431.167588	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"159474"	801.26484	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"603412"	1163.43774	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1090112"	439.09194	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"143646"	401.136058	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"584303"	582.222508	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1068931"	220.049608	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1101293"	441.106492	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1339503"	441.194107	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1006325"	445.233276	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1524693"	446.226908	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"990410"	223.120276	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1588443"	447.141528	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1414709"	477.173038	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1152904"	243.633551	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1699179"	494.199585	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1648682"	499.15498	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1575948"	515.12892	"C09090"	"Enmein"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"811780"	538.2931	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M"	0
"984222"	519.27471	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-H2O-H"	-19.01839
"72466"	357.854790666667	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M-3H"	-3.021828
"512027"	537.285824	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M-3H"	-3.021828
"887644"	178.423757333333	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-3H"	-3.021828
"2936"	537.285824	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M-2H"	-2.014552
"445780"	806.432374	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M-2H"	-2.014552
"826864"	268.139274	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-2H"	-2.014552
"90139"	1075.578924	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M-H"	-1.007276
"527511"	1613.872024	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M-H"	-1.007276
"906408"	537.285824	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-H"	-1.007276
"58596"	1092.605471	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M-2H+NH4"	16.019271
"492690"	1630.898571	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M-2H+NH4"	16.019271
"870492"	554.312371	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-2H+NH4"	16.019271
"39486"	1097.560866	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M-2H+Na"	20.974666
"484511"	1635.853966	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M-2H+Na"	20.974666
"856848"	559.267766	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-2H+Na"	20.974666
"1627476"	559.267766	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Na-2H"	20.974666
"96350"	555.274163	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M-H+Cl"	33.962126
"538099"	824.420713	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M-H+Cl"	33.962126
"929429"	286.127613	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-H+Cl"	33.962126
"276736"	1111.555602	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+Cl"	34.969402
"669156"	1649.848702	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+Cl"	34.969402
"1283748"	573.262502	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Cl"	34.969402
"18649"	1113.534806	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M-2H+K"	36.948606
"459302"	1651.827906	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M-2H+K"	36.948606
"837106"	575.241706	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-2H+K"	36.948606
"1556947"	575.241706	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+K-2H"	36.948606
"942827"	583.291294	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-H+HCOOH"	44.998194
"361430"	1121.584401	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+HCOOH-H"	44.998201
"346198"	1135.600051	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+Hac-H"	59.013851
"1492963"	597.306951	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Hac-H"	59.013851
"960508"	605.273251	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-H+NaCOOH"	66.980151
"110104"	573.262502	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+2Cl"	69.938804
"549998"	842.409052	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+2Cl"	69.938804
"1021421"	304.115952	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2Cl"	69.938804
"1241968"	617.211985	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Br"	78.918885
"1306608"	619.267972	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Cl+HCOOH"	80.974872
"1331399"	641.249929	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Cl+NaCOOH"	102.956829
"924645"	651.278686	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M-H+CF3COOH"	112.985586
"1291515"	687.255364	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Cl+CF3COOH"	148.962264
"1374050"	503.280424	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H-2H2O"	-35.012676
"1383648"	521.2904	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H-H2O"	-17.0027
"289048"	1077.593476	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+H"	1.007276
"685843"	1615.886576	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+H"	1.007276
"1360006"	539.300376	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H"	1.007276
"139097"	539.300376	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+2H"	2.014552
"575738"	808.446926	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+2H"	2.014552
"1044537"	270.153826	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2H"	2.014552
"215718"	359.869342666667	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+3H"	3.021828
"650904"	539.300376	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+3H"	3.021828
"1175589"	180.438309333333	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+3H"	3.021828
"436674"	1094.620023	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+NH4"	18.033823
"796578"	1632.913123	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+NH4"	18.033823
"1690721"	556.326923	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+NH4"	18.033823
"334627"	547.8136495	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+H+NH4"	19.041099
"728140"	816.9601995	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+H+NH4"	19.041099
"1481964"	278.6670995	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H+NH4"	19.041099
"399551"	1099.575418	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+Na"	22.989218
"756414"	1637.868518	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+Na"	22.989218
"1608648"	561.282318	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Na"	22.989218
"316495"	550.291347	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+H+Na"	23.996494
"712198"	819.437897	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+H+Na"	23.996494
"1468209"	281.144797	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H+Na"	23.996494
"1054893"	187.765623333333	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2H+Na"	25.00377
"1260946"	571.326586	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+CH3OH+H"	33.033486
"377859"	1115.549358	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+K"	38.963158
"738808"	1653.842458	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+K"	38.963158
"1541111"	577.256258	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+K"	38.963158
"300110"	558.278317	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+H+K"	39.970434
"693624"	827.424867	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+H+K"	39.970434
"1446103"	289.131767	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H+K"	39.970434
"241152"	1118.620026	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+ACN+H"	42.033826
"1210945"	580.326926	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+ACN+H"	42.033826
"1194277"	290.667101	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+ACN+2H"	43.041102
"188577"	1121.55736	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+2Na-H"	44.97116
"629808"	1659.85046	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+2Na-H"	44.97116
"1132584"	583.26426	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2Na-H"	44.97116
"174050"	561.282318	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+2Na"	45.978436
"613244"	830.428868	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+2Na"	45.978436
"1118207"	292.135768	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2Na"	45.978436
"1399179"	195.092937333333	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H+2Na"	46.985712
"1430165"	585.305846	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H+HCOOH"	47.012746
"220990"	566.31534	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+3H2O+2H"	56.04448
"1509053"	599.35789	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+IsoProp+H"	61.06479
"409834"	569.269288	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+Na+K"	61.952376
"770829"	838.415838	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+Na+K"	61.952376
"1666436"	300.122738	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Na+K"	61.952376
"251674"	1140.601968	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+ACN+Na"	64.015768
"1225900"	602.308868	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+ACN+Na"	64.015768
"1714192"	602.332393	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+NH4+HCOOH"	64.039293
"1178734"	202.420251333333	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+3Na"	68.967654
"1655275"	607.287788	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Na+HCOOH"	68.994688
"158247"	1153.50524	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+2K-H"	76.91904
"600241"	1691.79834	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+2K-H"	76.91904
"1090222"	615.21214	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2K-H"	76.91904
"145945"	577.256258	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"2M+2K"	77.926316
"583320"	846.402808	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"3M+2K"	77.926316
"1068837"	308.109708	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2K"	77.926316
"1100017"	617.226692	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2K+H"	78.933592
"1337182"	617.314307	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+DMSO+H"	79.021207
"1006071"	621.353476	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2ACN+H"	83.060376
"1524925"	622.347108	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+IsoProp+Na+H"	84.054008
"989921"	311.180376	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+2ACN+2H"	84.067652
"1589405"	623.261728	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+K+HCOOH"	84.968628
"1414215"	653.293238	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+H+CF3COOH"	115.000138
"1147781"	331.693651	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+3ACN+2H"	125.094202
"1702569"	670.319785	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+NH4+CF3COOH"	132.026685
"1643688"	675.27518	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+Na+CF3COOH"	136.98208
"1576058"	691.24912	"C09091"	"Euphorbia factor Ti2"	"C32H42O7"	"538.2931"	"M+K+CF3COOH"	152.95602
"805329"	286.2297	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M"	0
"985425"	267.21131	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"68202"	189.812524	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"513232"	285.222424	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"892128"	94.402624	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"5233"	285.222424	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"444796"	428.337274	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"826973"	142.107574	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"90246"	571.452124	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"531631"	857.681824	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"908342"	285.222424	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"61381"	588.478671	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"499239"	874.708371	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"878987"	302.248971	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"43968"	593.434066	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"483167"	879.663766	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"855865"	307.204366	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1630502"	307.204366	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"97555"	303.210763	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"538210"	446.325613	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"935007"	160.095913	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"275754"	607.428802	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"672548"	893.658502	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1282766"	321.199102	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"19852"	609.408006	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"458319"	895.637706	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"839403"	323.178306	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1557424"	323.178306	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"946398"	331.227894	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"362424"	617.457601	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"347401"	631.473251	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1495142"	345.243551	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"960496"	353.209851	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"110861"	321.199102	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"551153"	464.313952	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1024326"	178.084252	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1246091"	365.148585	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1310730"	367.204572	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1331509"	389.186529	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"923663"	399.215286	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1293812"	435.191964	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1373067"	251.217024	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1385096"	269.227	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"289158"	573.466676	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"684860"	859.696376	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1360116"	287.236976	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H"	1.007276
"139569"	287.236976	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"570381"	430.351826	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1043554"	144.122126	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"213640"	191.827076	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"647733"	287.236976	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1170232"	96.417176	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"434599"	590.493223	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"794501"	876.722923	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1687551"	304.263523	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"332913"	295.7502495	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"724606"	438.8650995	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1479157"	152.6353995	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"393464"	595.448618	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"759563"	881.678318	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1612039"	309.218918	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"319887"	298.227947	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"714498"	441.342797	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1465040"	155.113097	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1058284"	103.74449	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1261421"	319.263186	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"378903"	611.422558	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"740627"	897.652258	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1540248"	325.192858	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+K"	38.963158
"302407"	306.214917	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"693005"	449.329767	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1449014"	163.100067	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"241626"	614.493226	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1211905"	328.263526	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1194524"	164.635401	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"188770"	617.43056	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"629553"	903.66026	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1132692"	331.20086	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"174524"	309.218918	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"613719"	452.333768	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1117591"	166.104068	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1400386"	111.071804	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1431411"	333.242446	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"222196"	314.25194	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1510986"	347.29449	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"411037"	317.205888	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"772155"	460.320738	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1666909"	174.091038	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"252699"	636.475168	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1227233"	350.245468	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1715394"	350.268993	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1178881"	118.399118	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1650398"	355.224388	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"157375"	649.37844	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"597585"	935.60814	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1084568"	363.14874	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"141796"	325.192858	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"581592"	468.307708	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1068535"	182.078008	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1100163"	365.163292	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1335739"	365.250907	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1005773"	369.290076	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1524916"	370.283708	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"990073"	185.148676	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1587688"	371.198328	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1414359"	401.229838	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1148135"	205.661951	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1703772"	418.256385	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1643798"	423.21178	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1576168"	439.18572	"C09092"	"Ferruginol"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"805439"	482.288	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M"	0
"985534"	463.26961	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-H2O-H"	-19.01839
"72687"	320.518057333333	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M-3H"	-3.021828
"511153"	481.280724	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M-3H"	-3.021828
"887863"	159.755390666667	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-3H"	-3.021828
"3158"	481.280724	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M-2H"	-2.014552
"443813"	722.424724	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M-2H"	-2.014552
"824898"	240.136724	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-2H"	-2.014552
"84889"	963.568724	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M-H"	-1.007276
"529917"	1445.856724	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M-H"	-1.007276
"903345"	481.280724	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-H"	-1.007276
"57723"	980.595271	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M-2H+NH4"	16.019271
"499956"	1462.883271	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M-2H+NH4"	16.019271
"877515"	498.307271	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-2H+NH4"	16.019271
"41892"	985.550666	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M-2H+Na"	20.974666
"479266"	1467.838666	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M-2H+Na"	20.974666
"855975"	503.262666	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-2H+Na"	20.974666
"1624416"	503.262666	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Na-2H"	20.974666
"97665"	499.269063	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M-H+Cl"	33.962126
"537227"	740.413063	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M-H+Cl"	33.962126
"932929"	258.125063	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-H+Cl"	33.962126
"275864"	999.545402	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+Cl"	34.969402
"669378"	1481.833402	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+Cl"	34.969402
"1278501"	517.257402	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Cl"	34.969402
"18869"	1001.524606	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M-2H+K"	36.948606
"456403"	1483.812606	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M-2H+K"	36.948606
"839513"	519.236606	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-2H+K"	36.948606
"1558625"	519.236606	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+K-2H"	36.948606
"946508"	527.286194	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-H+HCOOH"	44.998194
"362535"	1009.574201	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+HCOOH-H"	44.998201
"348606"	1023.589851	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+Hac-H"	59.013851
"1496345"	541.301851	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Hac-H"	59.013851
"966074"	549.268151	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-H+NaCOOH"	66.980151
"112795"	517.257402	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+2Cl"	69.938804
"551263"	758.401402	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+2Cl"	69.938804
"1026623"	276.113402	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2Cl"	69.938804
"1245107"	561.206885	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Br"	78.918885
"1308653"	563.262872	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Cl+HCOOH"	80.974872
"1331619"	585.244829	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Cl+NaCOOH"	102.956829
"923409"	595.273586	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M-H+CF3COOH"	112.985586
"1296109"	631.250264	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Cl+CF3COOH"	148.962264
"1369896"	447.275324	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H-2H2O"	-35.012676
"1383013"	465.2853	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H-H2O"	-17.0027
"287080"	965.583276	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+H"	1.007276
"683876"	1447.871276	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+H"	1.007276
"1360226"	483.295276	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H"	1.007276
"134939"	483.295276	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+2H"	2.014552
"571585"	724.439276	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+2H"	2.014552
"1043664"	242.151276	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2H"	2.014552
"210470"	322.532609333333	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+3H"	3.021828
"647843"	483.295276	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+3H"	3.021828
"1170342"	161.769942666667	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+3H"	3.021828
"432522"	982.609823	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+NH4"	18.033823
"793516"	1464.897823	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+NH4"	18.033823
"1685475"	500.321823	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+NH4"	18.033823
"334845"	491.8085495	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+H+NH4"	19.041099
"726172"	732.9525495	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+H+NH4"	19.041099
"1478172"	250.6645495	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H+NH4"	19.041099
"393447"	987.565218	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+Na"	22.989218
"755053"	1469.853218	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+Na"	22.989218
"1605587"	505.277218	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Na"	22.989218
"317810"	494.286247	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+H+Na"	23.996494
"710234"	735.430247	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+H+Na"	23.996494
"1466244"	253.142247	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H+Na"	23.996494
"1056573"	169.097256666667	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2H+Na"	25.00377
"1261165"	515.321486	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+CH3OH+H"	33.033486
"380473"	1003.539158	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+K"	38.963158
"742923"	1485.827158	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+K"	38.963158
"1540963"	521.251158	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+K"	38.963158
"299474"	502.273217	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+H+K"	39.970434
"692751"	743.417217	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+H+K"	39.970434
"1446203"	261.129217	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H+K"	39.970434
"236631"	1006.609826	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+ACN+H"	42.033826
"1210428"	524.321826	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+ACN+H"	42.033826
"1195405"	262.664551	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+ACN+2H"	43.041102
"190827"	1009.54716	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+2Na-H"	44.97116
"630756"	1491.83516	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+2Na-H"	44.97116
"1134264"	527.25916	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2Na-H"	44.97116
"174998"	505.277218	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+2Na"	45.978436
"615652"	746.421218	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+2Na"	45.978436
"1122442"	264.133218	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2Na"	45.978436
"1400860"	176.424570666667	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H+2Na"	46.985712
"1431882"	529.300746	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H+HCOOH"	47.012746
"223767"	510.31024	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+3H2O+2H"	56.04448
"1510374"	543.35279	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+IsoProp+H"	61.06479
"409449"	513.264188	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+Na+K"	61.952376
"770931"	754.408188	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+Na+K"	61.952376
"1667018"	272.120188	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Na+K"	61.952376
"252322"	1028.591768	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+ACN+Na"	64.015768
"1227705"	546.303768	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+ACN+Na"	64.015768
"1714160"	546.327293	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+NH4+HCOOH"	64.039293
"1178950"	183.751884666667	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+3Na"	68.967654
"1651106"	551.282688	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Na+HCOOH"	68.994688
"157245"	1041.49504	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+2K-H"	76.91904
"597570"	1523.78304	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+2K-H"	76.91904
"1084719"	559.20704	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2K-H"	76.91904
"141940"	521.251158	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"2M+2K"	77.926316
"581624"	762.395158	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"3M+2K"	77.926316
"1070359"	280.107158	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2K"	77.926316
"1100649"	561.221592	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2K+H"	78.933592
"1335849"	561.309207	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+DMSO+H"	79.021207
"1005771"	565.348376	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2ACN+H"	83.060376
"1526609"	566.342008	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+IsoProp+Na+H"	84.054008
"990625"	283.177826	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+2ACN+2H"	84.067652
"1589625"	567.256628	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+K+HCOOH"	84.968628
"1414197"	597.288138	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+H+CF3COOH"	115.000138
"1147879"	303.691101	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+3ACN+2H"	125.094202
"1701695"	614.314685	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+NH4+CF3COOH"	132.026685
"1643908"	619.27008	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+Na+CF3COOH"	136.98208
"1576278"	635.24402	"C09093"	"Fusicoccin H"	"C26H42O8"	"482.288"	"M+K+CF3COOH"	152.95602
"814297"	290.261	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M"	0
"989887"	271.24261	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"78268"	192.500057333333	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"514546"	289.253724	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"890160"	95.7463906666667	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"9834"	289.253724	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"450487"	434.384224	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"823917"	144.123224	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"88282"	579.514724	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"530031"	869.775724	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"901272"	289.253724	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-H"	-1.007276
"55646"	596.541271	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"501529"	886.802271	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"878476"	306.280271	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"44188"	601.496666	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"485696"	891.757666	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"861556"	311.235666	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1631088"	311.235666	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"104337"	307.242063	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"536609"	452.372563	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"929759"	162.111563	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"279256"	615.491402	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"670581"	905.752402	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1279705"	325.230402	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"20072"	617.470606	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"457566"	907.731606	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"836342"	327.209606	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1559830"	327.209606	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"947713"	335.259194	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"367022"	625.520201	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"355278"	639.535851	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1504111"	349.274851	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"970195"	357.241151	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"115093"	325.230402	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"560120"	470.360902	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1036212"	180.099902	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1245220"	369.179885	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1310951"	371.235872	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1332831"	393.217829	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"925344"	403.246586	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1301688"	439.223264	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1376566"	255.248324	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1392969"	273.2583	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"292655"	581.529276	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+H"	1.007276
"682892"	871.790276	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1358148"	291.268276	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H"	1.007276
"135413"	291.268276	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"573882"	436.398776	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1042681"	146.137776	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2H"	2.014552
"213862"	194.514609333333	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"647954"	291.268276	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1168267"	97.7609426666667	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+3H"	3.021828
"432632"	598.555823	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"794721"	888.816823	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1687773"	308.294823	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"336050"	299.7815495	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"727743"	444.9120495	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1481200"	154.6510495	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"395871"	603.511218	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"759054"	893.772218	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1608981"	313.250218	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Na"	22.989218
"322297"	302.259247	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"715813"	447.389747	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1469636"	157.128747	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1062880"	105.088256666667	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1262371"	323.294486	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"385320"	619.485158	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+K"	38.963158
"743038"	909.746158	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1547276"	329.224158	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+K"	38.963158
"305909"	310.246217	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"697965"	455.376717	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1449234"	165.115717	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"241849"	622.555826	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1213828"	332.294826	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1195275"	166.651051	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"191310"	625.49316	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"633422"	915.75416	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1139845"	335.23216	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"177301"	313.250218	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"616132"	458.380718	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1119272"	168.119718	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1400970"	112.415570666667	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1432363"	337.273746	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"221690"	318.28324	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1511583"	351.32579	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"411996"	321.237188	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"771167"	466.367688	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1668228"	176.106688	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"254389"	644.537768	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1226850"	354.276768	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1715618"	354.300293	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1180608"	119.742884666667	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1652694"	359.255688	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"158332"	657.44104	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"597650"	947.70204	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1092740"	367.18004	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"141978"	329.224158	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"582023"	474.354658	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1070105"	184.093658	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1103561"	369.194592	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1344317"	369.282207	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1006526"	373.321376	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1525748"	374.315008	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"990171"	187.164326	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1590832"	375.229628	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1415276"	405.261138	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1147505"	207.677601	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1699617"	422.287685	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1644019"	427.24308	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1576388"	443.21702	"C09094"	"Geranylgeraniol;261014-Hexadecatetraen-1-ol 371115-tetramethyl-"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"812220"	628.2308	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M"	0
"987577"	609.21241	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-H2O-H"	-19.01839
"75094"	417.813257333333	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M-3H"	-3.021828
"516841"	627.223524	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M-3H"	-3.021828
"893551"	208.402990666667	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-3H"	-3.021828
"15664"	627.223524	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M-2H"	-2.014552
"451688"	941.338924	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M-2H"	-2.014552
"829494"	313.108124	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-2H"	-2.014552
"91676"	1255.454324	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M-H"	-1.007276
"531235"	1883.685124	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M-H"	-1.007276
"906850"	627.223524	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-H"	-1.007276
"55758"	1272.480871	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M-2H+NH4"	16.019271
"499327"	1900.711671	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M-2H+NH4"	16.019271
"879320"	644.250071	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-2H+NH4"	16.019271
"46490"	1277.436266	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M-2H+Na"	20.974666
"486050"	1905.667066	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M-2H+Na"	20.974666
"863610"	649.205466	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-2H+Na"	20.974666
"1633754"	649.205466	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Na-2H"	20.974666
"102263"	645.211863	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M-H+Cl"	33.962126
"545103"	959.327263	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M-H+Cl"	33.962126
"935337"	331.096463	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-H+Cl"	33.962126
"278272"	1291.431002	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+Cl"	34.969402
"669598"	1919.661802	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+Cl"	34.969402
"1284191"	663.200202	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Cl"	34.969402
"23466"	1293.410206	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M-2H+K"	36.948606
"460838"	1921.641006	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M-2H+K"	36.948606
"845200"	665.179406	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-2H+K"	36.948606
"1563221"	665.179406	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+K-2H"	36.948606
"956207"	673.228994	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-H+HCOOH"	44.998194
"372602"	1301.459801	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+HCOOH-H"	44.998201
"353203"	1315.475451	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+Hac-H"	59.013851
"1499849"	687.244651	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Hac-H"	59.013851
"969575"	695.210951	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-H+NaCOOH"	66.980151
"122861"	663.200202	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+2Cl"	69.938804
"562421"	977.315602	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+2Cl"	69.938804
"1033407"	349.084802	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2Cl"	69.938804
"1251893"	707.149685	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Br"	78.918885
"1317259"	709.205672	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Cl+HCOOH"	80.974872
"1335296"	731.187629	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Cl+NaCOOH"	102.956829
"925460"	741.216386	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M-H+CF3COOH"	112.985586
"1297424"	777.193064	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Cl+CF3COOH"	148.962264
"1375584"	593.218124	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H-2H2O"	-35.012676
"1396727"	611.2281	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H-H2O"	-17.0027
"295682"	1257.468876	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+H"	1.007276
"686649"	1885.699676	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+H"	1.007276
"1359354"	629.238076	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H"	1.007276
"129326"	629.238076	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+2H"	2.014552
"575816"	943.353476	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+2H"	2.014552
"1043886"	315.122676	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2H"	2.014552
"213608"	419.827809333333	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+3H"	3.021828
"652441"	629.238076	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+3H"	3.021828
"1170567"	210.417542666667	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+3H"	3.021828
"434933"	1274.495423	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+NH4"	18.033823
"797022"	1902.726223	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+NH4"	18.033823
"1693353"	646.264623	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+NH4"	18.033823
"333612"	637.7513495	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+H+NH4"	19.041099
"731865"	951.8667495	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+H+NH4"	19.041099
"1483499"	323.6359495	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H+NH4"	19.041099
"402178"	1279.450818	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+Na"	22.989218
"760989"	1907.681618	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+Na"	22.989218
"1614195"	651.220018	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Na"	22.989218
"321315"	640.229047	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+H+Na"	23.996494
"717017"	954.344447	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+H+Na"	23.996494
"1473024"	326.113647	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H+Na"	23.996494
"1065177"	217.744856666667	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2H+Na"	25.00377
"1267947"	661.264286	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+CH3OH+H"	33.033486
"387618"	1295.424758	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+K"	38.963158
"748615"	1923.655558	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+K"	38.963158
"1548480"	667.193958	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+K"	38.963158
"308935"	648.216017	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+H+K"	39.970434
"696983"	962.331417	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+H+K"	39.970434
"1452263"	334.100617	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H+K"	39.970434
"238314"	1298.495426	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+ACN+H"	42.033826
"1215762"	670.264626	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+ACN+H"	42.033826
"1197821"	335.635951	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+ACN+2H"	43.041102
"189963"	1301.43276	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+2Na-H"	44.97116
"630006"	1929.66356	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+2Na-H"	44.97116
"1139591"	673.20196	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2Na-H"	44.97116
"176684"	651.220018	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+2Na"	45.978436
"615147"	965.335418	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+2Na"	45.978436
"1117561"	337.104618	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2Na"	45.978436
"1399502"	225.072170666667	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H+2Na"	46.985712
"1433567"	675.243546	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H+HCOOH"	47.012746
"221802"	656.25304	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+3H2O+2H"	56.04448
"1513884"	689.29559	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+IsoProp+H"	61.06479
"411744"	659.206988	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+Na+K"	61.952376
"773101"	973.322388	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+Na+K"	61.952376
"1667977"	345.091588	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Na+K"	61.952376
"256324"	1320.477368	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+ACN+Na"	64.015768
"1227572"	692.246568	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+ACN+Na"	64.015768
"1715000"	692.270093	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+NH4+HCOOH"	64.039293
"1182181"	232.399484666667	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+3Na"	68.967654
"1659731"	697.225488	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Na+HCOOH"	68.994688
"162220"	1333.38064	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+2K-H"	76.91904
"600684"	1961.61144	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+2K-H"	76.91904
"1085441"	705.14984	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2K-H"	76.91904
"143109"	667.193958	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"2M+2K"	77.926316
"587043"	981.309358	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"3M+2K"	77.926316
"1073741"	353.078558	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2K"	77.926316
"1110232"	707.164392	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2K+H"	78.933592
"1348437"	707.252007	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+DMSO+H"	79.021207
"1010773"	711.291176	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2ACN+H"	83.060376
"1534364"	712.284808	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+IsoProp+Na+H"	84.054008
"996439"	356.149226	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+2ACN+2H"	84.067652
"1594222"	713.199428	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+K+HCOOH"	84.968628
"1415875"	743.230938	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+H+CF3COOH"	115.000138
"1147073"	376.662501	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+3ACN+2H"	125.094202
"1701915"	760.257485	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+NH4+CF3COOH"	132.026685
"1644129"	765.21288	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+Na+CF3COOH"	136.98208
"1576498"	781.18682	"C09095"	"Gnidicin"	"C36H36O10"	"628.2308"	"M+K+CF3COOH"	152.95602
"809049"	648.2934	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M"	0
"988051"	629.27501	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-H2O-H"	-19.01839
"75199"	431.188324	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M-3H"	-3.021828
"515492"	647.286124	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M-3H"	-3.021828
"892566"	215.090524	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-3H"	-3.021828
"7860"	647.286124	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M-2H"	-2.014552
"454756"	971.432824	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M-2H"	-2.014552
"826322"	323.139424	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-2H"	-2.014552
"88504"	1295.579524	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M-H"	-1.007276
"518948"	1943.872924	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M-H"	-1.007276
"901492"	647.286124	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-H"	-1.007276
"49305"	1312.606071	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M-2H+NH4"	16.019271
"496521"	1960.899471	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M-2H+NH4"	16.019271
"877483"	664.312671	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-2H+NH4"	16.019271
"44411"	1317.561466	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M-2H+Na"	20.974666
"484579"	1965.854866	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M-2H+Na"	20.974666
"860316"	669.268066	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-2H+Na"	20.974666
"1630215"	669.268066	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Na-2H"	20.974666
"96904"	665.274463	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M-H+Cl"	33.962126
"536220"	989.421163	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M-H+Cl"	33.962126
"931072"	341.127763	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-H+Cl"	33.962126
"275100"	1331.556202	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+Cl"	34.969402
"662053"	1979.849602	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+Cl"	34.969402
"1279926"	683.262802	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Cl"	34.969402
"18471"	1333.535406	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M-2H+K"	36.948606
"458760"	1981.828806	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M-2H+K"	36.948606
"833889"	685.242006	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-2H+K"	36.948606
"1561144"	685.242006	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+K-2H"	36.948606
"952307"	693.291594	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-H+HCOOH"	44.998194
"371984"	1341.585001	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+HCOOH-H"	44.998201
"352220"	1355.600651	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+Hac-H"	59.013851
"1504697"	707.307251	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Hac-H"	59.013851
"965311"	715.273551	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-H+NaCOOH"	66.980151
"124675"	683.262802	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+2Cl"	69.938804
"560344"	1007.409502	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+2Cl"	69.938804
"1033517"	359.116102	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2Cl"	69.938804
"1254190"	727.212285	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Br"	78.918885
"1317733"	729.268272	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Cl+HCOOH"	80.974872
"1335001"	751.250229	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Cl+NaCOOH"	102.956829
"926179"	761.278986	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M-H+CF3COOH"	112.985586
"1303492"	797.255664	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Cl+CF3COOH"	148.962264
"1380799"	613.280724	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H-2H2O"	-35.012676
"1395013"	631.2907	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H-H2O"	-17.0027
"296522"	1297.594076	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+H"	1.007276
"685298"	1945.887476	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+H"	1.007276
"1361647"	649.300676	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H"	1.007276
"133446"	649.300676	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+2H"	2.014552
"577020"	973.447376	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+2H"	2.014552
"1045455"	325.153976	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2H"	2.014552
"215542"	433.202876	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+3H"	3.021828
"650366"	649.300676	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+3H"	3.021828
"1172865"	217.105076	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+3H"	3.021828
"431764"	1314.620623	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+NH4"	18.033823
"797133"	1962.914023	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+NH4"	18.033823
"1693099"	666.327223	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+NH4"	18.033823
"339554"	657.8139495	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+H+NH4"	19.041099
"733069"	981.9606495	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+H+NH4"	19.041099
"1483609"	333.6672495	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H+NH4"	19.041099
"402288"	1319.576018	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+Na"	22.989218
"762192"	1967.869418	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+Na"	22.989218
"1615398"	671.282618	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Na"	22.989218
"321425"	660.291647	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+H+Na"	23.996494
"719314"	984.438347	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+H+Na"	23.996494
"1473134"	336.144947	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H+Na"	23.996494
"1065287"	224.43239	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2H+Na"	25.00377
"1265871"	681.326886	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+CH3OH+H"	33.033486
"388823"	1335.549958	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+K"	38.963158
"750911"	1983.843358	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+K"	38.963158
"1550778"	687.256558	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+K"	38.963158
"307952"	668.278617	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+H+K"	39.970434
"700375"	992.425317	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+H+K"	39.970434
"1452011"	344.131917	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H+K"	39.970434
"239882"	1338.620626	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+ACN+H"	42.033826
"1214777"	690.327226	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+ACN+H"	42.033826
"1199390"	345.667251	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+ACN+2H"	43.041102
"190437"	1341.55796	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+2Na-H"	44.97116
"630727"	1989.85136	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+2Na-H"	44.97116
"1139701"	693.26456	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2Na-H"	44.97116
"178617"	671.282618	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+2Na"	45.978436
"616354"	995.429318	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+2Na"	45.978436
"1117671"	347.135918	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2Na"	45.978436
"1401925"	231.759704	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H+2Na"	46.985712
"1432583"	695.306146	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H+HCOOH"	47.012746
"222642"	676.31564	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+3H2O+2H"	56.04448
"1511807"	709.35819	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+IsoProp+H"	61.06479
"411126"	679.269588	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+Na+K"	61.952376
"771509"	1003.416288	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+Na+K"	61.952376
"1667721"	355.122888	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Na+K"	61.952376
"257528"	1360.602568	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+ACN+Na"	64.015768
"1230601"	712.309168	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+ACN+Na"	64.015768
"1715838"	712.332693	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+NH4+HCOOH"	64.039293
"1181559"	239.087018	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+3Na"	68.967654
"1657654"	717.288088	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Na+HCOOH"	68.994688
"162330"	1373.50584	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+2K-H"	76.91904
"600795"	2021.79924	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+2K-H"	76.91904
"1087130"	725.21244	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2K-H"	76.91904
"146499"	687.256558	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"2M+2K"	77.926316
"589340"	1011.403258	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"3M+2K"	77.926316
"1078225"	363.109858	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2K"	77.926316
"1112529"	727.226992	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2K+H"	78.933592
"1345631"	727.314607	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+DMSO+H"	79.021207
"1009789"	731.353776	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2ACN+H"	83.060376
"1534474"	732.347408	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+IsoProp+Na+H"	84.054008
"997641"	366.180526	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+2ACN+2H"	84.067652
"1594332"	733.262028	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+K+HCOOH"	84.968628
"1415621"	763.293538	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+H+CF3COOH"	115.000138
"1148093"	386.693801	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+3ACN+2H"	125.094202
"1702025"	780.320085	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+NH4+CF3COOH"	132.026685
"1640959"	785.27548	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+Na+CF3COOH"	136.98208
"1576608"	801.24942	"C09096"	"Gnididin"	"C37H44O10"	"648.2934"	"M+K+CF3COOH"	152.95602
"804056"	360.2314	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M"	0
"989485"	341.21301	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-H2O-H"	-19.01839
"73122"	239.146990666667	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M-3H"	-3.021828
"517547"	359.224124	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M-3H"	-3.021828
"894738"	119.069857333333	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-3H"	-3.021828
"10158"	359.224124	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M-2H"	-2.014552
"454093"	539.339824	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M-2H"	-2.014552
"828620"	179.108424	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-2H"	-2.014552
"85334"	719.455524	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M-H"	-1.007276
"520519"	1079.686924	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M-H"	-1.007276
"898685"	359.224124	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-H"	-1.007276
"50145"	736.482071	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M-2H+NH4"	16.019271
"496630"	1096.713471	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M-2H+NH4"	16.019271
"873339"	376.250671	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-2H+NH4"	16.019271
"42699"	741.437466	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M-2H+Na"	20.974666
"482259"	1101.668866	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M-2H+Na"	20.974666
"860427"	381.206066	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-2H+Na"	20.974666
"1631417"	381.206066	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Na-2H"	20.974666
"96284"	377.212463	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M-H+Cl"	33.962126
"539853"	557.328163	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M-H+Cl"	33.962126
"932277"	197.096763	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-H+Cl"	33.962126
"275210"	755.432202	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+Cl"	34.969402
"669817"	1115.663602	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+Cl"	34.969402
"1280037"	395.200802	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Cl"	34.969402
"19310"	757.411406	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M-2H+K"	36.948606
"458869"	1117.642806	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M-2H+K"	36.948606
"837765"	397.180006	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-2H+K"	36.948606
"1561254"	397.180006	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+K-2H"	36.948606
"951324"	405.229594	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-H+HCOOH"	44.998194
"375374"	765.461001	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+HCOOH-H"	44.998201
"353423"	779.476651	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+Hac-H"	59.013851
"1501161"	419.245251	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Hac-H"	59.013851
"966514"	427.211551	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-H+NaCOOH"	66.980151
"124664"	395.200802	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+2Cl"	69.938804
"561547"	575.316502	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+2Cl"	69.938804
"1033628"	215.085102	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2Cl"	69.938804
"1253206"	439.150285	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Br"	78.918885
"1317115"	441.206272	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Cl+HCOOH"	80.974872
"1334988"	463.188229	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Cl+NaCOOH"	102.956829
"926653"	473.216986	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M-H+CF3COOH"	112.985586
"1299831"	509.193664	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Cl+CF3COOH"	148.962264
"1376897"	325.218724	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H-2H2O"	-35.012676
"1395853"	343.2287	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H-H2O"	-17.0027
"294080"	721.470076	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+H"	1.007276
"685408"	1081.701476	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+H"	1.007276
"1359570"	361.238676	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H"	1.007276
"132462"	361.238676	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+2H"	2.014552
"574944"	541.354376	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+2H"	2.014552
"1040826"	181.122976	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2H"	2.014552
"208726"	241.161542666667	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+3H"	3.021828
"648289"	361.238676	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+3H"	3.021828
"1170788"	121.084409333333	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+3H"	3.021828
"432966"	738.496623	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+NH4"	18.033823
"797242"	1098.728023	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+NH4"	18.033823
"1693209"	378.265223	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+NH4"	18.033823
"341851"	369.7519495	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+H+NH4"	19.041099
"735733"	549.8676495	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+H+NH4"	19.041099
"1485906"	189.6362495	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H+NH4"	19.041099
"403491"	743.452018	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+Na"	22.989218
"763395"	1103.683418	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+Na"	22.989218
"1614050"	383.220618	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Na"	22.989218
"324816"	372.229647	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+H+Na"	23.996494
"719063"	552.345347	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+H+Na"	23.996494
"1472516"	192.113947	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H+Na"	23.996494
"1064670"	128.411723333333	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2H+Na"	25.00377
"1269263"	393.264886	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+CH3OH+H"	33.033486
"387476"	759.425958	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+K"	38.963158
"747379"	1119.657358	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+K"	38.963158
"1546516"	399.194558	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+K"	38.963158
"305877"	380.216617	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+H+K"	39.970434
"698301"	560.332317	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+H+K"	39.970434
"1449202"	200.100917	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H+K"	39.970434
"238534"	762.496626	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+ACN+H"	42.033826
"1212336"	402.265226	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+ACN+H"	42.033826
"1196584"	201.636251	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+ACN+2H"	43.041102
"188656"	765.43396	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+2Na-H"	44.97116
"634119"	1125.66536	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+2Na-H"	44.97116
"1139810"	405.20256	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2Na-H"	44.97116
"180913"	383.220618	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+2Na"	45.978436
"621566"	563.336318	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+2Na"	45.978436
"1122155"	203.104918	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2Na"	45.978436
"1399722"	135.739037333333	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H+2Na"	46.985712
"1433054"	407.244146	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H+HCOOH"	47.012746
"221658"	388.25364	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+3H2O+2H"	56.04448
"1511917"	421.29619	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+IsoProp+H"	61.06479
"410508"	391.207588	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+Na+K"	61.952376
"772592"	571.323288	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+Na+K"	61.952376
"1668560"	211.091888	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Na+K"	61.952376
"257638"	784.478568	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+ACN+Na"	64.015768
"1230711"	424.247168	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+ACN+Na"	64.015768
"1715951"	424.270693	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+NH4+HCOOH"	64.039293
"1181306"	143.066351333333	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+3Na"	68.967654
"1657763"	429.226088	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Na+HCOOH"	68.994688
"162440"	797.38184	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+2K-H"	76.91904
"605279"	1157.61324	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+2K-H"	76.91904
"1086877"	437.15044	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2K-H"	76.91904
"145881"	399.194558	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"2M+2K"	77.926316
"587263"	579.310258	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"3M+2K"	77.926316
"1078336"	219.078858	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2K"	77.926316
"1109359"	439.164992	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2K+H"	78.933592
"1345741"	439.252607	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+DMSO+H"	79.021207
"1008805"	443.291776	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2ACN+H"	83.060376
"1531304"	444.285408	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+IsoProp+Na+H"	84.054008
"995564"	222.149526	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+2ACN+2H"	84.067652
"1592255"	445.200028	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+K+HCOOH"	84.968628
"1415731"	475.231538	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+H+CF3COOH"	115.000138
"1147962"	242.662801	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+3ACN+2H"	125.094202
"1704322"	492.258085	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+NH4+CF3COOH"	132.026685
"1642162"	497.21348	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+Na+CF3COOH"	136.98208
"1576718"	513.18742	"C09097"	"Calycanthidine"	"C23H28N4"	"360.2314"	"M+K+CF3COOH"	152.95602
"802709"	220.0637	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M"	0
"988271"	201.04531	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-H2O-H"	-19.01839
"73232"	145.701857333333	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M-3H"	-3.021828
"517899"	219.056424	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M-3H"	-3.021828
"894120"	72.3472906666667	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-3H"	-3.021828
"10266"	219.056424	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M-2H"	-2.014552
"453839"	329.088274	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M-2H"	-2.014552
"826540"	109.024574	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-2H"	-2.014552
"87631"	439.120124	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M-H"	-1.007276
"526096"	659.183824	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M-H"	-1.007276
"906086"	219.056424	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-H"	-1.007276
"56087"	456.146671	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M-2H+NH4"	16.019271
"493460"	676.210371	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M-2H+NH4"	16.019271
"877824"	236.082971	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-2H+NH4"	16.019271
"42444"	461.102066	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M-2H+Na"	20.974666
"484556"	681.165766	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M-2H+Na"	20.974666
"860537"	241.038366	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-2H+Na"	20.974666
"1631529"	241.038366	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Na-2H"	20.974666
"94289"	237.044763	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M-H+Cl"	33.962126
"535590"	347.076613	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M-H+Cl"	33.962126
"929106"	127.012913	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-H+Cl"	33.962126
"274227"	475.096802	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+Cl"	34.969402
"665554"	695.160502	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+Cl"	34.969402
"1276867"	255.033102	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Cl"	34.969402
"16504"	477.076006	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M-2H+K"	36.948606
"456794"	697.139706	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M-2H+K"	36.948606
"833502"	257.012306	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-2H+K"	36.948606
"1556990"	257.012306	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+K-2H"	36.948606
"943656"	265.061894	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-H+HCOOH"	44.998194
"374026"	485.125601	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+HCOOH-H"	44.998201
"353533"	499.141251	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+Hac-H"	59.013851
"1499084"	279.077551	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Hac-H"	59.013851
"966624"	287.043851	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-H+NaCOOH"	66.980151
"124895"	255.033102	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+2Cl"	69.938804
"560564"	365.064952	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+2Cl"	69.938804
"1034467"	145.001252	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2Cl"	69.938804
"1251129"	298.982585	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Br"	78.918885
"1315766"	301.038572	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Cl+HCOOH"	80.974872
"1333995"	323.020529	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Cl+NaCOOH"	102.956829
"925419"	333.049286	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M-H+CF3COOH"	112.985586
"1295567"	369.025964	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Cl+CF3COOH"	148.962264
"1373728"	185.051024	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H-2H2O"	-35.012676
"1396327"	203.061	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H-H2O"	-17.0027
"294190"	441.134676	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+H"	1.007276
"685518"	661.198376	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+H"	1.007276
"1359680"	221.070976	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H"	1.007276
"130385"	221.070976	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+2H"	2.014552
"576878"	331.102826	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+2H"	2.014552
"1044216"	111.039126	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2H"	2.014552
"211023"	147.716409333333	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+3H"	3.021828
"651679"	221.070976	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+3H"	3.021828
"1169805"	74.3618426666667	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+3H"	3.021828
"429796"	458.161223	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+NH4"	18.033823
"791885"	678.224923	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+NH4"	18.033823
"1690403"	238.097523	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+NH4"	18.033823
"337587"	229.5842495	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+H+NH4"	19.041099
"730008"	339.6160995	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+H+NH4"	19.041099
"1484922"	119.5523995	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H+NH4"	19.041099
"404694"	463.116618	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+Na"	22.989218
"764599"	683.180318	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+Na"	22.989218
"1615253"	243.052918	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Na"	22.989218
"325290"	232.061947	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+H+Na"	23.996494
"720266"	342.093797	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+H+Na"	23.996494
"1471533"	122.030097	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H+Na"	23.996494
"1066237"	81.6891566666667	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2H+Na"	25.00377
"1267185"	253.097186	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+CH3OH+H"	33.033486
"390501"	479.090558	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+K"	38.963158
"749311"	699.154258	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+K"	38.963158
"1547719"	259.026858	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+K"	38.963158
"307079"	240.048917	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+H+K"	39.970434
"698410"	350.080767	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+H+K"	39.970434
"1448220"	130.017067	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H+K"	39.970434
"240831"	482.161226	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+ACN+H"	42.033826
"1215726"	262.097526	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+ACN+H"	42.033826
"1196694"	131.552401	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+ACN+2H"	43.041102
"189928"	485.09856	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+2Na-H"	44.97116
"635686"	705.16226	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+2Na-H"	44.97116
"1139920"	265.03486	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2Na-H"	44.97116
"181023"	243.052918	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+2Na"	45.978436
"619489"	353.084768	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+2Na"	45.978436
"1120442"	133.021068	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2Na"	45.978436
"1399709"	89.0164706666667	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H+2Na"	46.985712
"1432803"	267.076446	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H+HCOOH"	47.012746
"221766"	248.08594	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+3H2O+2H"	56.04448
"1512027"	281.12849	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+IsoProp+H"	61.06479
"410983"	251.039888	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+Na+K"	61.952376
"772338"	361.071738	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+Na+K"	61.952376
"1668671"	141.008038	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Na+K"	61.952376
"256654"	504.143168	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+ACN+Na"	64.015768
"1228270"	284.079468	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+ACN+Na"	64.015768
"1716789"	284.102993	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+NH4+HCOOH"	64.039293
"1180320"	96.3437846666667	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+3Na"	68.967654
"1658967"	289.058388	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Na+HCOOH"	68.994688
"163641"	517.04644	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+2K-H"	76.91904
"603202"	737.11014	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+2K-H"	76.91904
"1087716"	296.98274	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2K-H"	76.91904
"148907"	259.026858	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"2M+2K"	77.926316
"586644"	369.058708	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"3M+2K"	77.926316
"1080633"	148.995008	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2K"	77.926316
"1109470"	298.997292	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2K+H"	78.933592
"1342571"	299.084907	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+DMSO+H"	79.021207
"1008916"	303.124076	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2ACN+H"	83.060376
"1530320"	304.117708	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+IsoProp+Na+H"	84.054008
"994580"	152.065676	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+2ACN+2H"	84.067652
"1592365"	305.032328	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+K+HCOOH"	84.968628
"1418028"	335.063838	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+H+CF3COOH"	115.000138
"1147706"	172.578951	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+3ACN+2H"	125.094202
"1702245"	352.090385	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+NH4+CF3COOH"	132.026685
"1644459"	357.04578	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+Na+CF3COOH"	136.98208
"1576828"	373.01972	"C09098"	"Canthin-6-one;6H-Indolo(321-de)(15)naphthyridin-6-one"	"C14H8N2O"	"220.0637"	"M+K+CF3COOH"	152.95602
"803912"	434.1213	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M"	0
"988381"	415.10291	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-H2O-H"	-19.01839
"72249"	288.406924	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M-3H"	-3.021828
"517887"	433.114024	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M-3H"	-3.021828
"892892"	143.699824	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-3H"	-3.021828
"3811"	433.114024	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M-2H"	-2.014552
"451027"	650.174674	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M-2H"	-2.014552
"832241"	216.053374	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-2H"	-2.014552
"93860"	867.235324	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M-H"	-1.007276
"533503"	1301.356624	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M-H"	-1.007276
"908262"	433.114024	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-H"	-1.007276
"60572"	884.261871	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M-2H+NH4"	16.019271
"502202"	1318.383171	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M-2H+NH4"	16.019271
"878791"	450.140571	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-2H+NH4"	16.019271
"46447"	889.217266	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M-2H+Na"	20.974666
"485639"	1323.338566	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M-2H+Na"	20.974666
"862836"	455.095966	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-2H+Na"	20.974666
"1632734"	455.095966	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Na-2H"	20.974666
"96141"	451.102363	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M-H+Cl"	33.962126
"540074"	668.163013	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M-H+Cl"	33.962126
"932497"	234.041713	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-H+Cl"	33.962126
"278711"	903.212002	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+Cl"	34.969402
"668945"	1337.333302	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+Cl"	34.969402
"1284633"	469.090702	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Cl"	34.969402
"24999"	905.191206	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M-2H+K"	36.948606
"462372"	1339.312506	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M-2H+K"	36.948606
"840173"	471.069906	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-2H+K"	36.948606
"1562567"	471.069906	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+K-2H"	36.948606
"945347"	479.119494	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-H+HCOOH"	44.998194
"376812"	913.240801	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+HCOOH-H"	44.998201
"353643"	927.256451	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+Hac-H"	59.013851
"1501381"	493.135151	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Hac-H"	59.013851
"965641"	501.101451	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-H+NaCOOH"	66.980151
"125573"	469.090702	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+2Cl"	69.938804
"561767"	686.151352	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+2Cl"	69.938804
"1035670"	252.030052	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2Cl"	69.938804
"1254519"	513.040185	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Br"	78.918885
"1317335"	515.096172	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Cl+HCOOH"	80.974872
"1335209"	537.078129	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Cl+NaCOOH"	102.956829
"926874"	547.106886	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M-H+CF3COOH"	112.985586
"1301876"	583.083564	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Cl+CF3COOH"	148.962264
"1381857"	399.108624	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H-2H2O"	-35.012676
"1397775"	417.1186	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H-H2O"	-17.0027
"296489"	869.249876	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+H"	1.007276
"683442"	1303.371176	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+H"	1.007276
"1361976"	435.128576	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H"	1.007276
"135958"	435.128576	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+2H"	2.014552
"580268"	652.189226	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+2H"	2.014552
"1042139"	218.067926	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2H"	2.014552
"213319"	290.421476	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+3H"	3.021828
"649600"	435.128576	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+3H"	3.021828
"1166995"	145.714376	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+3H"	3.021828
"429904"	886.276423	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+NH4"	18.033823
"794181"	1320.397723	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+NH4"	18.033823
"1690513"	452.155123	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+NH4"	18.033823
"337697"	443.6418495	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+H+NH4"	19.041099
"731211"	660.7024995	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+H+NH4"	19.041099
"1483939"	226.5811995	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H+NH4"	19.041099
"404440"	891.231818	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+Na"	22.989218
"763614"	1325.353118	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+Na"	22.989218
"1606610"	457.110518	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Na"	22.989218
"321753"	446.119547	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+H+Na"	23.996494
"719643"	663.180197	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+H+Na"	23.996494
"1471275"	229.058897	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H+Na"	23.996494
"1065617"	153.04169	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2H+Na"	25.00377
"1268023"	467.154786	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+CH3OH+H"	33.033486
"384776"	907.205758	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+K"	38.963158
"752334"	1341.327058	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+K"	38.963158
"1550014"	473.084458	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+K"	38.963158
"307191"	454.106517	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+H+K"	39.970434
"702894"	671.167167	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+H+K"	39.970434
"1449059"	237.045867	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H+K"	39.970434
"242035"	910.276426	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+ACN+H"	42.033826
"1214743"	476.155126	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+ACN+H"	42.033826
"1197533"	238.581201	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+ACN+2H"	43.041102
"190403"	913.21376	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+2Na-H"	44.97116
"636525"	1347.33506	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+2Na-H"	44.97116
"1137843"	479.09246	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2Na-H"	44.97116
"182226"	457.110518	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+2Na"	45.978436
"619599"	674.171168	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+2Na"	45.978436
"1123105"	240.049868	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2Na"	45.978436
"1401165"	160.369004	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H+2Na"	46.985712
"1433281"	481.134046	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H+HCOOH"	47.012746
"224430"	462.14354	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+3H2O+2H"	56.04448
"1515417"	495.18609	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+IsoProp+H"	61.06479
"410364"	465.097488	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+Na+K"	61.952376
"771115"	682.158138	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+Na+K"	61.952376
"1667689"	248.036838	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Na+K"	61.952376
"258951"	932.258368	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+ACN+Na"	64.015768
"1231661"	498.137068	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+ACN+Na"	64.015768
"1717264"	498.160593	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+NH4+HCOOH"	64.039293
"1182619"	167.696318	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+3Na"	68.967654
"1662357"	503.115988	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Na+HCOOH"	68.994688
"169218"	945.16164	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+2K-H"	76.91904
"605498"	1379.28294	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+2K-H"	76.91904
"1088920"	511.04034	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2K-H"	76.91904
"154484"	473.084458	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"2M+2K"	77.926316
"594045"	690.145108	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"3M+2K"	77.926316
"1077463"	256.023808	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2K"	77.926316
"1111767"	513.054892	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2K+H"	78.933592
"1342681"	513.142507	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+DMSO+H"	79.021207
"1013400"	517.181676	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2ACN+H"	83.060376
"1531524"	518.175308	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+IsoProp+Na+H"	84.054008
"1000158"	259.094476	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+2ACN+2H"	84.067652
"1593568"	519.089928	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+K+HCOOH"	84.968628
"1419231"	549.121438	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+H+CF3COOH"	115.000138
"1147333"	279.607751	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+3ACN+2H"	125.094202
"1700168"	566.147985	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+NH4+CF3COOH"	132.026685
"1644569"	571.10338	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+Na+CF3COOH"	136.98208
"1576938"	587.07732	"C09099"	"Naringenin 7-O-beta-D-glucoside;Prunin"	"C21H22O10"	"434.1213"	"M+K+CF3COOH"	152.95602
"806209"	584.3151	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M"	0
"986304"	565.29671	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-H2O-H"	-19.01839
"75641"	388.536124	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M-3H"	-3.021828
"516295"	583.307824	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M-3H"	-3.021828
"894096"	193.764424	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-3H"	-3.021828
"5378"	583.307824	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M-2H"	-2.014552
"448950"	875.465374	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M-2H"	-2.014552
"828947"	291.150274	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-2H"	-2.014552
"87852"	1167.622924	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M-H"	-1.007276
"531309"	1751.938024	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M-H"	-1.007276
"909953"	583.307824	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-H"	-1.007276
"62142"	1184.649471	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M-2H+NH4"	16.019271
"502761"	1768.964571	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M-2H+NH4"	16.019271
"879852"	600.334371	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-2H+NH4"	16.019271
"47006"	1189.604866	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M-2H+Na"	20.974666
"486967"	1773.919966	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M-2H+Na"	20.974666
"864154"	605.289766	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-2H+Na"	20.974666
"1634145"	605.289766	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Na-2H"	20.974666
"100625"	601.296163	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M-H+Cl"	33.962126
"545652"	893.453713	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M-H+Cl"	33.962126
"933701"	309.138613	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-H+Cl"	33.962126
"277728"	1203.599602	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+Cl"	34.969402
"672334"	1787.914702	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+Cl"	34.969402
"1280367"	619.284502	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Cl"	34.969402
"24015"	1205.578806	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M-2H+K"	36.948606
"461388"	1789.893906	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M-2H+K"	36.948606
"839187"	621.263706	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-2H+K"	36.948606
"1561580"	621.263706	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+K-2H"	36.948606
"951650"	629.313294	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-H+HCOOH"	44.998194
"365859"	1213.628401	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+HCOOH-H"	44.998201
"350835"	1227.644051	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+Hac-H"	59.013851
"1500758"	643.328951	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Hac-H"	59.013851
"964291"	651.295251	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-H+NaCOOH"	66.980151
"124141"	619.284502	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+2Cl"	69.938804
"560784"	911.442052	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+2Cl"	69.938804
"1036024"	327.126952	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2Cl"	69.938804
"1253537"	663.233985	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Br"	78.918885
"1319268"	665.289972	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Cl+HCOOH"	80.974872
"1334586"	687.271929	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Cl+NaCOOH"	102.956829
"926253"	697.300686	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M-H+CF3COOH"	112.985586
"1303809"	733.277364	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Cl+CF3COOH"	148.962264
"1382093"	549.302424	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H-2H2O"	-35.012676
"1395091"	567.3124	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H-H2O"	-17.0027
"292225"	1169.637476	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+H"	1.007276
"686833"	1753.952576	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+H"	1.007276
"1362817"	585.322376	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H"	1.007276
"133882"	585.322376	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+2H"	2.014552
"578917"	877.479926	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+2H"	2.014552
"1043342"	293.164826	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2H"	2.014552
"213429"	390.550676	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+3H"	3.021828
"650803"	585.322376	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+3H"	3.021828
"1168927"	195.778976	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+3H"	3.021828
"430014"	1186.664023	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+NH4"	18.033823
"795383"	1770.979123	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+NH4"	18.033823
"1691716"	602.348923	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+NH4"	18.033823
"337806"	593.8356495	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+H+NH4"	19.041099
"733508"	885.9931995	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+H+NH4"	19.041099
"1487329"	301.6780995	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H+NH4"	19.041099
"402727"	1191.619418	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+Na"	22.989218
"757164"	1775.934518	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+Na"	22.989218
"1608543"	607.304318	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Na"	22.989218
"321863"	596.313347	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+H+Na"	23.996494
"719753"	888.470897	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+H+Na"	23.996494
"1471385"	304.155797	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H+Na"	23.996494
"1062446"	203.10629	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2H+Na"	25.00377
"1268499"	617.348586	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+CH3OH+H"	33.033486
"392821"	1207.593358	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+K"	38.963158
"752444"	1791.908458	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+K"	38.963158
"1554498"	623.278258	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+K"	38.963158
"312770"	604.300317	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+H+K"	39.970434
"705193"	896.457867	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+H+K"	39.970434
"1453543"	312.142767	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H+K"	39.970434
"245425"	1210.664026	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+ACN+H"	42.033826
"1219226"	626.348926	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+ACN+H"	42.033826
"1199830"	313.678101	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+ACN+2H"	43.041102
"191972"	1213.60136	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+2Na-H"	44.97116
"639917"	1797.91646	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+2Na-H"	44.97116
"1141235"	629.28626	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2Na-H"	44.97116
"182337"	607.304318	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+2Na"	45.978436
"615702"	899.461868	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+2Na"	45.978436
"1120301"	315.146768	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2Na"	45.978436
"1404556"	210.433604	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H+2Na"	46.985712
"1435580"	631.327846	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H+HCOOH"	47.012746
"222352"	612.33734	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+3H2O+2H"	56.04448
"1515527"	645.37989	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+IsoProp+H"	61.06479
"409738"	615.291288	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+Na+K"	61.952376
"775115"	907.448838	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+Na+K"	61.952376
"1667435"	323.133738	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Na+K"	61.952376
"257966"	1232.645968	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+ACN+Na"	64.015768
"1232863"	648.330868	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+ACN+Na"	64.015768
"1716279"	648.354393	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+NH4+HCOOH"	64.039293
"1181635"	217.760918	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+3Na"	68.967654
"1662467"	653.309788	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Na+HCOOH"	68.994688
"169328"	1245.54924	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+2K-H"	76.91904
"604515"	1829.86434	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+2K-H"	76.91904
"1098753"	661.23414	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2K-H"	76.91904
"154592"	623.278258	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"2M+2K"	77.926316
"593059"	915.435808	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"3M+2K"	77.926316
"1082919"	331.120708	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2K"	77.926316
"1113943"	663.248692	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2K+H"	78.933592
"1342791"	663.336307	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+DMSO+H"	79.021207
"1013510"	667.375476	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2ACN+H"	83.060376
"1536980"	668.369108	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+IsoProp+Na+H"	84.054008
"1000268"	334.191376	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+2ACN+2H"	84.067652
"1596958"	669.283728	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+K+HCOOH"	84.968628
"1418247"	699.315238	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+H+CF3COOH"	115.000138
"1147807"	354.704651	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+3ACN+2H"	125.094202
"1704652"	716.341785	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+NH4+CF3COOH"	132.026685
"1644679"	721.29718	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+Na+CF3COOH"	136.98208
"1577048"	737.27112	"C09100"	"Caracurine V"	"C38H40N4O2"	"584.3151"	"M+K+CF3COOH"	152.95602
"803039"	652.3247	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M"	0
"983134"	633.30631	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-H2O-H"	-19.01839
"76844"	433.875857333333	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M-3H"	-3.021828
"516405"	651.317424	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M-3H"	-3.021828
"890926"	216.434290666667	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-3H"	-3.021828
"5124"	651.317424	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M-2H"	-2.014552
"449060"	977.479774	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M-2H"	-2.014552
"829057"	325.155074	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-2H"	-2.014552
"89055"	1303.642124	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M-H"	-1.007276
"533804"	1955.966824	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M-H"	-1.007276
"911327"	651.317424	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-H"	-1.007276
"62581"	1320.668671	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M-2H+NH4"	16.019271
"502630"	1972.993371	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M-2H+NH4"	16.019271
"879664"	668.343971	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-2H+NH4"	16.019271
"46870"	1325.624066	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M-2H+Na"	20.974666
"486958"	1977.948766	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M-2H+Na"	20.974666
"863997"	673.299366	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-2H+Na"	20.974666
"1634088"	673.299366	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Na-2H"	20.974666
"100736"	669.305763	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M-H+Cl"	33.962126
"543576"	995.468113	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M-H+Cl"	33.962126
"937091"	343.143413	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-H+Cl"	33.962126
"281117"	1339.618802	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+Cl"	34.969402
"666977"	1991.943502	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+Cl"	34.969402
"1281570"	687.294102	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Cl"	34.969402
"25219"	1341.598006	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M-2H+K"	36.948606
"464779"	1993.922706	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M-2H+K"	36.948606
"840390"	689.273306	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-2H+K"	36.948606
"1561690"	689.273306	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+K-2H"	36.948606
"950668"	697.322894	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-H+HCOOH"	44.998194
"366697"	1349.647601	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+HCOOH-H"	44.998201
"354952"	1363.663251	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+Hac-H"	59.013851
"1498318"	711.338551	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Hac-H"	59.013851
"964766"	719.304851	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-H+NaCOOH"	66.980151
"124614"	687.294102	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+2Cl"	69.938804
"561987"	1013.456452	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+2Cl"	69.938804
"1036584"	361.131752	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2Cl"	69.938804
"1256564"	731.243585	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Br"	78.918885
"1319667"	733.299572	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Cl+HCOOH"	80.974872
"1335185"	755.281529	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Cl+NaCOOH"	102.956829
"926124"	765.310286	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M-H+CF3COOH"	112.985586
"1303553"	801.286964	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Cl+CF3COOH"	148.962264
"1381351"	617.312024	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H-2H2O"	-35.012676
"1397024"	635.322	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H-H2O"	-17.0027
"295982"	1305.656676	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+H"	1.007276
"687672"	1957.981376	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+H"	1.007276
"1363657"	653.331976	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H"	1.007276
"132900"	653.331976	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+2H"	2.014552
"575743"	979.494326	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+2H"	2.014552
"1042359"	327.169626	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2H"	2.014552
"212446"	435.890409333333	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+3H"	3.021828
"647997"	653.331976	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+3H"	3.021828
"1167945"	218.448842666667	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+3H"	3.021828
"430124"	1322.683223	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+NH4"	18.033823
"794401"	1975.007923	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+NH4"	18.033823
"1693285"	670.358523	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+NH4"	18.033823
"333542"	661.8452495	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+H+NH4"	19.041099
"735077"	988.0075995	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+H+NH4"	19.041099
"1485253"	335.6828995	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H+NH4"	19.041099
"401744"	1327.638618	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+Na"	22.989218
"759460"	1979.963318	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+Na"	22.989218
"1608653"	675.313918	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Na"	22.989218
"321973"	664.322947	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+H+Na"	23.996494
"716583"	990.485297	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+H+Na"	23.996494
"1472588"	338.160597	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H+Na"	23.996494
"1064742"	225.776156666667	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2H+Na"	25.00377
"1268609"	685.358186	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+CH3OH+H"	33.033486
"392129"	1343.612558	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+K"	38.963158
"750367"	1995.937258	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+K"	38.963158
"1550233"	691.287858	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+K"	38.963158
"307408"	672.309917	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+H+K"	39.970434
"700925"	998.472267	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+H+K"	39.970434
"1453654"	346.147567	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H+K"	39.970434
"245536"	1346.683226	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+ACN+H"	42.033826
"1216056"	694.358526	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+ACN+H"	42.033826
"1198847"	347.682901	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+ACN+2H"	43.041102
"189896"	1349.62056	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+2Na-H"	44.97116
"630550"	2001.94526	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+2Na-H"	44.97116
"1136969"	697.29586	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2Na-H"	44.97116
"179166"	675.313918	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+2Na"	45.978436
"615812"	1001.476268	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+2Na"	45.978436
"1118223"	349.151568	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2Na"	45.978436
"1400655"	233.103470666667	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H+2Na"	46.985712
"1431312"	699.337446	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H+HCOOH"	47.012746
"222828"	680.34694	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+3H2O+2H"	56.04448
"1517825"	713.38949	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+IsoProp+H"	61.06479
"412406"	683.300888	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+Na+K"	61.952376
"776318"	1009.463238	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+Na+K"	61.952376
"1667181"	357.138538	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Na+K"	61.952376
"258076"	1368.665168	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+ACN+Na"	64.015768
"1234066"	716.340468	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+ACN+Na"	64.015768
"1716389"	716.363993	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+NH4+HCOOH"	64.039293
"1182838"	240.430784666667	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+3Na"	68.967654
"1661484"	721.319388	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Na+HCOOH"	68.994688
"169438"	1381.56844	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+2K-H"	76.91904
"605718"	2033.89314	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+2K-H"	76.91904
"1099717"	729.24374	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2K-H"	76.91904
"154702"	691.287858	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"2M+2K"	77.926316
"592076"	1017.450208	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"3M+2K"	77.926316
"1083759"	365.125508	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2K"	77.926316
"1114905"	731.258292	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2K+H"	78.933592
"1342901"	731.345907	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+DMSO+H"	79.021207
"1016900"	735.385076	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2ACN+H"	83.060376
"1536118"	736.378708	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+IsoProp+Na+H"	84.054008
"998191"	368.196176	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+2ACN+2H"	84.067652
"1589413"	737.293328	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+K+HCOOH"	84.968628
"1419451"	767.324838	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+H+CF3COOH"	115.000138
"1148646"	388.709451	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+3ACN+2H"	125.094202
"1704762"	784.351385	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+NH4+CF3COOH"	132.026685
"1644789"	789.30678	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+Na+CF3COOH"	136.98208
"1577158"	805.28072	"C09101"	"Gnididilatin"	"C37H48O10"	"652.3247"	"M+K+CF3COOH"	152.95602
"803149"	646.2778	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M"	0
"984337"	627.25941	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-H2O-H"	-19.01839
"75861"	429.844590666667	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M-3H"	-3.021828
"516515"	645.270524	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M-3H"	-3.021828
"892129"	214.418657333333	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-3H"	-3.021828
"6327"	645.270524	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M-2H"	-2.014552
"449170"	968.409424	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M-2H"	-2.014552
"831596"	322.131624	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-2H"	-2.014552
"92443"	1291.548324	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M-H"	-1.007276
"532005"	1937.826124	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M-H"	-1.007276
"910051"	645.270524	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-H"	-1.007276
"61390"	1308.574871	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M-2H+NH4"	16.019271
"499006"	1954.852671	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M-2H+NH4"	16.019271
"879606"	662.297071	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-2H+NH4"	16.019271
"45921"	1313.530266	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M-2H+Na"	20.974666
"483536"	1959.808066	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M-2H+Na"	20.974666
"863939"	667.252466	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-2H+Na"	20.974666
"1634074"	667.252466	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Na-2H"	20.974666
"98659"	663.258863	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M-H+Cl"	33.962126
"543686"	986.397763	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M-H+Cl"	33.962126
"933921"	340.119963	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-H+Cl"	33.962126
"274668"	1327.525002	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+Cl"	34.969402
"670368"	1973.802802	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+Cl"	34.969402
"1281677"	681.247202	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Cl"	34.969402
"24235"	1329.504206	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M-2H+K"	36.948606
"462702"	1975.782006	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M-2H+K"	36.948606
"839407"	683.226406	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-2H+K"	36.948606
"1561800"	683.226406	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+K-2H"	36.948606
"950780"	691.275994	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-H+HCOOH"	44.998194
"365715"	1337.553801	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+HCOOH-H"	44.998201
"349597"	1351.569451	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+Hac-H"	59.013851
"1496970"	705.291651	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Hac-H"	59.013851
"962691"	713.257951	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-H+NaCOOH"	66.980151
"113787"	681.247202	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+2Cl"	69.938804
"564894"	1004.386102	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+2Cl"	69.938804
"1036002"	358.108302	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2Cl"	69.938804
"1253756"	725.196685	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Br"	78.918885
"1319615"	727.252672	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Cl+HCOOH"	80.974872
"1335580"	749.234629	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Cl+NaCOOH"	102.956829
"926557"	759.263386	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M-H+CF3COOH"	112.985586
"1303665"	795.240064	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Cl+CF3COOH"	148.962264
"1381098"	611.265124	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H-2H2O"	-35.012676
"1397135"	629.2751	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H-H2O"	-17.0027
"296092"	1293.562876	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+H"	1.007276
"684866"	1939.840676	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+H"	1.007276
"1363404"	647.285076	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H"	1.007276
"133010"	647.285076	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+2H"	2.014552
"574760"	970.423976	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+2H"	2.014552
"1041376"	324.146176	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2H"	2.014552
"211463"	431.859142666667	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+3H"	3.021828
"646285"	647.285076	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+3H"	3.021828
"1164776"	216.433209333333	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+3H"	3.021828
"429141"	1310.589423	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+NH4"	18.033823
"793418"	1956.867223	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+NH4"	18.033823
"1693395"	664.311623	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+NH4"	18.033823
"336933"	655.7983495	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+H+NH4"	19.041099
"733728"	978.9372495	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+H+NH4"	19.041099
"1488643"	332.6594495	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H+NH4"	19.041099
"401854"	1315.544818	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+Na"	22.989218
"756290"	1961.822618	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+Na"	22.989218
"1608763"	669.267018	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Na"	22.989218
"322082"	658.276047	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+H+Na"	23.996494
"717786"	981.414947	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+H+Na"	23.996494
"1468325"	335.137147	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H+Na"	23.996494
"1064852"	223.760523333333	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2H+Na"	25.00377
"1266533"	679.311286	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+CH3OH+H"	33.033486
"392158"	1331.518758	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+K"	38.963158
"750478"	1977.796558	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+K"	38.963158
"1550343"	685.240958	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+K"	38.963158
"305331"	666.263017	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+H+K"	39.970434
"701035"	989.401917	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+H+K"	39.970434
"1449389"	343.124117	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H+K"	39.970434
"245646"	1334.589426	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+ACN+H"	42.033826
"1217260"	688.311626	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+ACN+H"	42.033826
"1200051"	344.659451	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+ACN+2H"	43.041102
"190370"	1337.52676	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+2Na-H"	44.97116
"631389"	1983.80456	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+2Na-H"	44.97116
"1137082"	691.24896	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2Na-H"	44.97116
"178184"	669.267018	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+2Na"	45.978436
"617013"	992.405918	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+2Na"	45.978436
"1120155"	346.128118	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2Na"	45.978436
"1407326"	231.087837333333	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H+2Na"	46.985712
"1432510"	693.290546	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H+HCOOH"	47.012746
"225491"	674.30004	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+3H2O+2H"	56.04448
"1515749"	707.34259	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+IsoProp+H"	61.06479
"412516"	677.253988	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+Na+K"	61.952376
"775335"	1000.392888	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+Na+K"	61.952376
"1666197"	354.115088	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Na+K"	61.952376
"257093"	1356.571368	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+ACN+Na"	64.015768
"1233083"	710.293568	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+ACN+Na"	64.015768
"1715406"	710.317093	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+NH4+HCOOH"	64.039293
"1182948"	238.415151333333	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+3Na"	68.967654
"1664753"	715.272488	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Na+HCOOH"	68.994688
"169548"	1369.47464	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+2K-H"	76.91904
"608016"	2015.75244	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+2K-H"	76.91904
"1099855"	723.19684	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2K-H"	76.91904
"154691"	685.240958	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"2M+2K"	77.926316
"592186"	1008.379858	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"3M+2K"	77.926316
"1083018"	362.102058	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2K"	77.926316
"1114284"	725.211392	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2K+H"	78.933592
"1343011"	725.299007	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+DMSO+H"	79.021207
"1013729"	729.338176	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2ACN+H"	83.060376
"1536228"	730.331808	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+IsoProp+Na+H"	84.054008
"1002675"	365.172726	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+2ACN+2H"	84.067652
"1590617"	731.246428	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+K+HCOOH"	84.968628
"1417374"	761.277938	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+H+CF3COOH"	115.000138
"1148756"	385.686001	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+3ACN+2H"	125.094202
"1702685"	778.304485	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+NH4+CF3COOH"	132.026685
"1647086"	783.25988	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+Na+CF3COOH"	136.98208
"1576175"	799.23382	"C09102"	"Gniditrin"	"C37H42O10"	"646.2778"	"M+K+CF3COOH"	152.95602
"803259"	412.2461	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M"	0
"985540"	393.22771	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-H2O-H"	-19.01839
"73784"	273.823457333333	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M-3H"	-3.021828
"514439"	411.238824	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M-3H"	-3.021828
"891146"	136.408090666667	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-3H"	-3.021828
"5344"	411.238824	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M-2H"	-2.014552
"449280"	617.361874	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M-2H"	-2.014552
"822708"	205.115774	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-2H"	-2.014552
"92433"	823.484924	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M-H"	-1.007276
"531023"	1235.731024	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M-H"	-1.007276
"908582"	411.238824	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-H"	-1.007276
"59798"	840.511471	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M-2H+NH4"	16.019271
"502031"	1252.757571	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M-2H+NH4"	16.019271
"879592"	428.265371	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-2H+NH4"	16.019271
"44938"	845.466866	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M-2H+Na"	20.974666
"483646"	1257.712966	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M-2H+Na"	20.974666
"863885"	433.220766	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-2H+Na"	20.974666
"1634012"	433.220766	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Na-2H"	20.974666
"98769"	429.227163	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M-H+Cl"	33.962126
"544890"	635.350213	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M-H+Cl"	33.962126
"934031"	223.104113	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-H+Cl"	33.962126
"273681"	859.461602	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+Cl"	34.969402
"671571"	1271.707702	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+Cl"	34.969402
"1281787"	447.215502	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Cl"	34.969402
"25438"	861.440806	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M-2H+K"	36.948606
"460625"	1273.686906	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M-2H+K"	36.948606
"840610"	449.194706	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-2H+K"	36.948606
"1561910"	449.194706	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+K-2H"	36.948606
"949794"	457.244294	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-H+HCOOH"	44.998194
"366189"	869.490401	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+HCOOH-H"	44.998201
"350071"	883.506051	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+Hac-H"	59.013851
"1495987"	471.259951	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Hac-H"	59.013851
"963894"	479.226251	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-H+NaCOOH"	66.980151
"113897"	447.215502	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+2Cl"	69.938804
"564761"	653.338552	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+2Cl"	69.938804
"1036113"	241.092452	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2Cl"	69.938804
"1254595"	491.164985	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Br"	78.918885
"1319685"	493.220972	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Cl+HCOOH"	80.974872
"1335325"	515.202929	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Cl+NaCOOH"	102.956829
"926831"	525.231686	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M-H+CF3COOH"	112.985586
"1303740"	561.208364	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Cl+CF3COOH"	148.962264
"1381937"	377.233424	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H-2H2O"	-35.012676
"1396515"	395.2434	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H-H2O"	-17.0027
"296931"	825.499476	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+H"	1.007276
"687528"	1237.745576	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+H"	1.007276
"1364243"	413.253376	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H"	1.007276
"135307"	413.253376	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+2H"	2.014552
"571589"	619.376426	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+2H"	2.014552
"1042576"	207.130326	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2H"	2.014552
"213755"	275.838009333333	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+3H"	3.021828
"655506"	413.253376	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+3H"	3.021828
"1173637"	138.422642666667	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+3H"	3.021828
"426699"	842.526023	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+NH4"	18.033823
"791341"	1254.772123	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+NH4"	18.033823
"1692410"	430.279923	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+NH4"	18.033823
"331940"	421.7666495	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+H+NH4"	19.041099
"727278"	627.8896995	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+H+NH4"	19.041099
"1482192"	215.6435995	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H+NH4"	19.041099
"398684"	847.481418	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+Na"	22.989218
"754739"	1259.727518	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+Na"	22.989218
"1605593"	435.235318	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Na"	22.989218
"320005"	424.244347	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+H+Na"	23.996494
"717896"	630.367397	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+H+Na"	23.996494
"1469528"	218.121297	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H+Na"	23.996494
"1064962"	145.749956666667	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2H+Na"	25.00377
"1266643"	445.279586	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+CH3OH+H"	33.033486
"392147"	863.455358	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+K"	38.963158
"747306"	1275.701458	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+K"	38.963158
"1549360"	451.209258	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+K"	38.963158
"304349"	432.231317	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+H+K"	39.970434
"695677"	638.354367	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+H+K"	39.970434
"1448770"	226.108267	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H+K"	39.970434
"245757"	866.526026	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+ACN+H"	42.033826
"1215183"	454.279926	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+ACN+H"	42.033826
"1197974"	227.643601	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+ACN+2H"	43.041102
"191208"	869.46336	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+2Na-H"	44.97116
"631862"	1281.70946	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+2Na-H"	44.97116
"1133909"	457.21726	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2Na-H"	44.97116
"177199"	435.235318	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+2Na"	45.978436
"617486"	641.358368	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+2Na"	45.978436
"1120265"	229.112268	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2Na"	45.978436
"1406707"	153.077270666667	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H+2Na"	46.985712
"1432983"	459.258846	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H+HCOOH"	47.012746
"225601"	440.26834	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+3H2O+2H"	56.04448
"1513671"	473.31089	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+IsoProp+H"	61.06479
"411168"	443.222288	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+Na+K"	61.952376
"771064"	649.345338	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+Na+K"	61.952376
"1667035"	237.099238	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Na+K"	61.952376
"253923"	888.507968	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+ACN+Na"	64.015768
"1231006"	476.261868	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+ACN+Na"	64.015768
"1714787"	476.285393	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+NH4+HCOOH"	64.039293
"1180140"	160.404584666667	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+3Na"	68.967654
"1654411"	481.240788	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Na+HCOOH"	68.994688
"161273"	901.41124	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+2K-H"	76.91904
"608124"	1313.65734	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+2K-H"	76.91904
"1090815"	489.16514	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2K-H"	76.91904
"153828"	451.209258	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"2M+2K"	77.926316
"587920"	657.332308	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"3M+2K"	77.926316
"1077902"	245.086208	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2K"	77.926316
"1113057"	491.179692	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2K+H"	78.933592
"1340934"	491.267307	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+DMSO+H"	79.021207
"1013839"	495.306476	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2ACN+H"	83.060376
"1533057"	496.300108	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+IsoProp+Na+H"	84.054008
"1001692"	248.156876	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+2ACN+2H"	84.067652
"1589634"	497.214728	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+K+HCOOH"	84.968628
"1417484"	527.246238	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+H+CF3COOH"	115.000138
"1149959"	268.670151	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+3ACN+2H"	125.094202
"1701702"	544.272785	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+NH4+CF3COOH"	132.026685
"1647196"	549.22818	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+Na+CF3COOH"	136.98208
"1576285"	565.20212	"C09103"	"Grayanotoxin I;Rhodotoxine"	"C22H36O7"	"412.2461"	"M+K+CF3COOH"	152.95602
"814304"	346.1416	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M"	0
"985652"	327.12321	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"77178"	229.753790666667	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"517831"	345.134324	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"892349"	114.373257333333	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"14935"	345.134324	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"449391"	518.205124	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"827192"	172.063524	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"82086"	691.275924	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"530040"	1037.417524	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"909178"	345.134324	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"60516"	708.302471	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"500929"	1054.444071	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"878369"	362.160871	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"46144"	713.257866	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"485701"	1059.399466	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"861562"	367.116266	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1632189"	367.116266	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"96692"	363.122663	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"547186"	536.193463	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"931953"	190.051863	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"270511"	727.252602	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"672775"	1073.394202	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1280804"	381.111002	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"27371"	729.231806	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"462922"	1075.373406	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"835254"	383.090206	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1560929"	383.090206	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"951000"	391.139794	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"364842"	737.281401	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"347632"	751.297051	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1498651"	405.155451	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"965099"	413.121751	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"120568"	381.111002	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"560129"	554.181802	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1034770"	208.040202	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1252883"	425.060485	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1317890"	427.116472	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1335146"	449.098429	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"926692"	459.127186	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1302548"	495.103864	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1380711"	311.128924	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1397114"	329.1389	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"294487"	693.290476	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"688370"	1039.432076	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1363260"	347.148876	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"136878"	347.148876	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"574979"	520.219676	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1048518"	174.078076	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"210586"	231.768342666667	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"653429"	347.148876	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1175566"	116.387809333333	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"434827"	710.317023	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"794732"	1056.458623	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1687782"	364.175423	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"334967"	355.6621495	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"730669"	528.7329495	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1488863"	182.5913495	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"394785"	715.272418	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"760885"	1061.414018	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1608984"	369.130818	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"323397"	358.139847	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"722020"	531.210647	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1468545"	185.069047	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1065072"	123.715123333333	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1267846"	379.175086	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"391526"	731.246358	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"748513"	1077.387958	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1549472"	385.104758	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"307742"	366.126817	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"704173"	539.197617	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1449609"	193.056017	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"246961"	734.317026	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1214200"	388.175426	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1203551"	194.591351	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"193507"	737.25436	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"633797"	1083.39596	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1137303"	391.11276	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"179499"	369.130818	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"619058"	542.201618	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1123657"	196.060018	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1407182"	131.042437333333	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1434921"	393.154346	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"221695"	374.16384	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1510497"	407.20639	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"411642"	377.117788	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"770445"	550.188588	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1667145"	204.046988	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"256220"	756.298968	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1234397"	410.157368	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1716721"	410.180893	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1182803"	138.369751333333	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1656709"	415.136288	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"164299"	769.20224	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"612246"	1115.34384	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1099313"	423.06064	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"155884"	385.104758	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"595445"	558.175558	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1082755"	212.033958	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1112316"	425.075192	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1342138"	425.162807	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1015043"	429.201976	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1532074"	430.195608	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"1003869"	215.104626	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1596305"	431.110228	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1420874"	461.141738	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1151162"	235.617901	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1700715"	478.168285	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1638554"	483.12368	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1576395"	499.09762	"C09104"	"Hallactone A"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"806759"	440.1141	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M"	0
"989042"	421.09571	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-H2O-H"	-19.01839
"78318"	292.402124	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M-3H"	-3.021828
"518187"	439.106824	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M-3H"	-3.021828
"894282"	145.697424	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-3H"	-3.021828
"14680"	439.106824	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M-2H"	-2.014552
"449500"	659.163874	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M-2H"	-2.014552
"827302"	219.049774	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-2H"	-2.014552
"93856"	879.220924	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M-H"	-1.007276
"527964"	1319.335024	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M-H"	-1.007276
"910137"	439.106824	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-H"	-1.007276
"62083"	896.247471	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M-2H+NH4"	16.019271
"501402"	1336.361571	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M-2H+NH4"	16.019271
"878359"	456.133371	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-2H+NH4"	16.019271
"46908"	901.202866	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M-2H+Na"	20.974666
"486052"	1341.316966	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M-2H+Na"	20.974666
"863782"	461.088766	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-2H+Na"	20.974666
"1633393"	461.088766	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Na-2H"	20.974666
"98988"	457.095163	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M-H+Cl"	33.962126
"547297"	677.152213	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M-H+Cl"	33.962126
"932063"	237.038113	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-H+Cl"	33.962126
"271714"	915.197602	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+Cl"	34.969402
"671792"	1355.311702	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+Cl"	34.969402
"1278727"	475.083502	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Cl"	34.969402
"27845"	917.176806	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M-2H+K"	36.948606
"460845"	1357.290906	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M-2H+K"	36.948606
"835364"	477.062706	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-2H+K"	36.948606
"1557759"	477.062706	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+K-2H"	36.948606
"952203"	485.112294	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-H+HCOOH"	44.998194
"366045"	925.226401	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+HCOOH-H"	44.998201
"347742"	939.242051	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+Hac-H"	59.013851
"1496574"	499.127951	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Hac-H"	59.013851
"965209"	507.094251	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-H+NaCOOH"	66.980151
"121771"	475.083502	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+2Cl"	69.938804
"560239"	695.140552	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+2Cl"	69.938804
"1035245"	255.026452	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2Cl"	69.938804
"1254451"	519.032985	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Br"	78.918885
"1318000"	521.088972	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Cl+HCOOH"	80.974872
"1335015"	543.070929	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Cl+NaCOOH"	102.956829
"926806"	553.099686	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M-H+CF3COOH"	112.985586
"1300348"	589.076364	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Cl+CF3COOH"	148.962264
"1380698"	405.101424	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H-2H2O"	-35.012676
"1396007"	423.1114	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H-H2O"	-17.0027
"294964"	881.235476	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+H"	1.007276
"687386"	1321.349576	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+H"	1.007276
"1365922"	441.121376	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H"	1.007276
"137717"	441.121376	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+2H"	2.014552
"573997"	661.178426	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+2H"	2.014552
"1047900"	221.064326	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2H"	2.014552
"210696"	294.416676	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+3H"	3.021828
"654632"	441.121376	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+3H"	3.021828
"1173852"	147.711976	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+3H"	3.021828
"436030"	898.262023	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+NH4"	18.033823
"794842"	1338.376123	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+NH4"	18.033823
"1691170"	458.147923	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+NH4"	18.033823
"333985"	449.6346495	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+H+NH4"	19.041099
"727499"	669.6916995	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+H+NH4"	19.041099
"1482413"	229.5775995	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H+NH4"	19.041099
"394528"	903.217418	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+Na"	22.989218
"760995"	1343.331518	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+Na"	22.989218
"1609094"	463.103318	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Na"	22.989218
"325329"	452.112347	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+H+Na"	23.996494
"721643"	672.169397	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+H+Na"	23.996494
"1468655"	232.055297	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H+Na"	23.996494
"1062995"	155.03929	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2H+Na"	25.00377
"1269048"	473.147586	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+CH3OH+H"	33.033486
"386530"	919.191358	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+K"	38.963158
"747529"	1359.305458	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+K"	38.963158
"1546299"	479.077258	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+K"	38.963158
"306757"	460.099317	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+H+K"	39.970434
"699178"	680.156367	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+H+K"	39.970434
"1449719"	240.042267	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H+K"	39.970434
"247070"	922.262026	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+ACN+H"	42.033826
"1215403"	482.147926	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+ACN+H"	42.033826
"1203661"	241.577601	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+ACN+2H"	43.041102
"193253"	925.19936	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+2Na-H"	44.97116
"632447"	1365.31346	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+2Na-H"	44.97116
"1133401"	485.08526	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2Na-H"	44.97116
"177785"	463.103318	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+2Na"	45.978436
"620261"	683.160368	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+2Na"	45.978436
"1125954"	243.046268	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2Na"	45.978436
"1409478"	162.366604	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H+2Na"	46.985712
"1436125"	487.126846	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H+HCOOH"	47.012746
"221810"	468.13634	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+3H2O+2H"	56.04448
"1510244"	501.17889	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+IsoProp+H"	61.06479
"408953"	471.090288	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+Na+K"	61.952376
"770083"	691.147338	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+Na+K"	61.952376
"1667254"	251.033238	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Na+K"	61.952376
"257423"	944.243968	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+ACN+Na"	64.015768
"1233413"	504.129868	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+ACN+Na"	64.015768
"1717923"	504.153393	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+NH4+HCOOH"	64.039293
"1183278"	169.693918	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+3Na"	68.967654
"1654265"	509.108788	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Na+HCOOH"	68.994688
"161493"	957.14724	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+2K-H"	76.91904
"607251"	1397.26134	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+2K-H"	76.91904
"1099422"	517.03314	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2K-H"	76.91904
"156723"	479.077258	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"2M+2K"	77.926316
"595676"	699.134308	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"3M+2K"	77.926316
"1082499"	259.020208	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2K"	77.926316
"1112426"	519.047692	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2K+H"	78.933592
"1344435"	519.135307	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+DMSO+H"	79.021207
"1015153"	523.174476	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2ACN+H"	83.060376
"1532184"	524.168108	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+IsoProp+Na+H"	84.054008
"1005280"	262.090876	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+2ACN+2H"	84.067652
"1597509"	525.082728	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+K+HCOOH"	84.968628
"1428274"	555.114238	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+H+CF3COOH"	115.000138
"1160017"	282.604151	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+3ACN+2H"	125.094202
"1699732"	572.140785	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+NH4+CF3COOH"	132.026685
"1639757"	577.09618	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+Na+CF3COOH"	136.98208
"1576505"	593.07012	"C09105"	"Hallactone B"	"C20H24O9S"	"440.1141"	"M+K+CF3COOH"	152.95602
"811244"	428.1947	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M"	0
"986965"	409.17631	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-H2O-H"	-19.01839
"77398"	284.455857333333	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M-3H"	-3.021828
"517687"	427.187424	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M-3H"	-3.021828
"892569"	141.724290666667	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-3H"	-3.021828
"14425"	427.187424	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M-2H"	-2.014552
"449611"	641.284774	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M-2H"	-2.014552
"830693"	213.090074	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-2H"	-2.014552
"90686"	855.382124	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M-H"	-1.007276
"528074"	1283.576824	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M-H"	-1.007276
"909518"	427.187424	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-H"	-1.007276
"60615"	872.408671	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M-2H+NH4"	16.019271
"500541"	1300.603371	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M-2H+NH4"	16.019271
"878343"	444.213971	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-2H+NH4"	16.019271
"46239"	877.364066	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M-2H+Na"	20.974666
"483976"	1305.558766	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M-2H+Na"	20.974666
"862875"	449.169366	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-2H+Na"	20.974666
"1631319"	449.169366	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Na-2H"	20.974666
"102379"	445.175763	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M-H+Cl"	33.962126
"545221"	659.273113	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M-H+Cl"	33.962126
"937641"	231.078413	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-H+Cl"	33.962126
"275104"	891.358802	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+Cl"	34.969402
"663154"	1319.553502	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+Cl"	34.969402
"1273732"	463.164102	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Cl"	34.969402
"16164"	893.338006	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M-2H+K"	36.948606
"456454"	1321.532706	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M-2H+K"	36.948606
"833772"	465.143306	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-2H+K"	36.948606
"1556163"	465.143306	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+K-2H"	36.948606
"945751"	473.192894	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-H+HCOOH"	44.998194
"365062"	901.387601	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+HCOOH-H"	44.998201
"347852"	915.403251	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+Hac-H"	59.013851
"1496684"	487.208551	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Hac-H"	59.013851
"963132"	495.174851	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-H+NaCOOH"	66.980151
"121881"	463.164102	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+2Cl"	69.938804
"560349"	677.261452	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+2Cl"	69.938804
"1036979"	249.066752	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2Cl"	69.938804
"1254565"	507.113585	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Br"	78.918885
"1318838"	509.169572	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Cl+HCOOH"	80.974872
"1334514"	531.151529	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Cl+NaCOOH"	102.956829
"926550"	541.180286	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M-H+CF3COOH"	112.985586
"1301186"	577.156964	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Cl+CF3COOH"	148.962264
"1382146"	393.182024	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H-2H2O"	-35.012676
"1396482"	411.192	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H-H2O"	-17.0027
"293614"	857.396676	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+H"	1.007276
"687132"	1285.591376	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+H"	1.007276
"1366941"	429.201976	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H"	1.007276
"135639"	429.201976	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+2H"	2.014552
"576294"	643.299326	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+2H"	2.014552
"1048374"	215.104626	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2H"	2.014552
"207890"	286.470409333333	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+3H"	3.021828
"654742"	429.201976	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+3H"	3.021828
"1172869"	143.738842666667	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+3H"	3.021828
"435047"	874.423223	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+NH4"	18.033823
"796045"	1302.617923	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+NH4"	18.033823
"1690187"	446.228523	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+NH4"	18.033823
"334095"	437.7152495	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+H+NH4"	19.041099
"724329"	651.8125995	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+H+NH4"	19.041099
"1482523"	223.6178995	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H+NH4"	19.041099
"393545"	879.378618	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+Na"	22.989218
"761105"	1307.573318	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+Na"	22.989218
"1611391"	451.183918	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Na"	22.989218
"325803"	440.192947	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+H+Na"	23.996494
"721507"	654.290297	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+H+Na"	23.996494
"1468765"	226.095597	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H+Na"	23.996494
"1063105"	151.066156666667	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2H+Na"	25.00377
"1268065"	461.228186	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+CH3OH+H"	33.033486
"385547"	895.352558	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+K"	38.963158
"744357"	1323.547258	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+K"	38.963158
"1546409"	467.157858	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+K"	38.963158
"303587"	448.179917	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+H+K"	39.970434
"696008"	662.277267	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+H+K"	39.970434
"1448734"	234.082567	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H+K"	39.970434
"242804"	898.423226	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+ACN+H"	42.033826
"1215512"	470.228526	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+ACN+H"	42.033826
"1197211"	235.617901	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+ACN+2H"	43.041102
"193363"	901.36056	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+2Na-H"	44.97116
"630368"	1329.55526	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+2Na-H"	44.97116
"1132050"	473.16586	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2Na-H"	44.97116
"176440"	451.183918	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+2Na"	45.978436
"619280"	665.281268	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+2Na"	45.978436
"1121693"	237.086568	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2Na"	45.978436
"1406311"	158.393470666667	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H+2Na"	46.985712
"1435142"	475.207446	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H+HCOOH"	47.012746
"221558"	456.21694	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+3H2O+2H"	56.04448
"1511082"	489.25949	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+IsoProp+H"	61.06479
"408819"	459.170888	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+Na+K"	61.952376
"769980"	673.268238	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+Na+K"	61.952376
"1668822"	245.073538	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Na+K"	61.952376
"257533"	920.405168	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+ACN+Na"	64.015768
"1236803"	492.210468	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+ACN+Na"	64.015768
"1719127"	492.233993	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+NH4+HCOOH"	64.039293
"1185575"	165.720784666667	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+3Na"	68.967654
"1655469"	497.189388	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Na+HCOOH"	68.994688
"165612"	933.30844	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+2K-H"	76.91904
"609913"	1361.50314	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+2K-H"	76.91904
"1098196"	505.11374	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2K-H"	76.91904
"151973"	467.157858	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"2M+2K"	77.926316
"595910"	681.255208	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"3M+2K"	77.926316
"1080420"	253.060508	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2K"	77.926316
"1113630"	507.128292	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2K+H"	78.933592
"1344546"	507.215907	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+DMSO+H"	79.021207
"1014170"	511.255076	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2ACN+H"	83.060376
"1532294"	512.248708	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+IsoProp+Na+H"	84.054008
"1003848"	256.131176	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+2ACN+2H"	84.067652
"1601995"	513.163328	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+K+HCOOH"	84.968628
"1422185"	543.194838	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+H+CF3COOH"	115.000138
"1160127"	276.644451	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+3ACN+2H"	125.094202
"1704213"	560.221385	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+NH4+CF3COOH"	132.026685
"1637679"	565.17678	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+Na+CF3COOH"	136.98208
"1576615"	581.15072	"C09106"	"Carapanaubine"	"C23H28N2O6"	"428.1947"	"M+K+CF3COOH"	152.95602
"810259"	336.1838	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M"	0
"988169"	317.16541	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-H2O-H"	-19.01839
"77509"	223.115257333333	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M-3H"	-3.021828
"517432"	335.176524	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M-3H"	-3.021828
"894504"	111.053990666667	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-3H"	-3.021828
"14171"	335.176524	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M-2H"	-2.014552
"453001"	503.268424	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M-2H"	-2.014552
"830561"	167.084624	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-2H"	-2.014552
"90796"	671.360324	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M-H"	-1.007276
"532191"	1007.544124	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M-H"	-1.007276
"909269"	335.176524	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-H"	-1.007276
"57080"	688.386871	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M-2H+NH4"	16.019271
"499924"	1024.570671	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M-2H+NH4"	16.019271
"876876"	352.203071	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-2H+NH4"	16.019271
"45986"	693.342266	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M-2H+Na"	20.974666
"486034"	1029.526066	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M-2H+Na"	20.974666
"861894"	357.158466	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-2H+Na"	20.974666
"1629243"	357.158466	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Na-2H"	20.974666
"103583"	353.164863	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M-H+Cl"	33.962126
"544238"	521.256763	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M-H+Cl"	33.962126
"936658"	185.072963	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-H+Cl"	33.962126
"276308"	707.337002	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+Cl"	34.969402
"663263"	1043.520802	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+Cl"	34.969402
"1273842"	371.153202	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Cl"	34.969402
"17005"	709.316206	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M-2H+K"	36.948606
"456688"	1045.500006	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M-2H+K"	36.948606
"835583"	373.132406	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-2H+K"	36.948606
"1557248"	373.132406	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+K-2H"	36.948606
"945861"	381.181994	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-H+HCOOH"	44.998194
"366265"	717.365801	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+HCOOH-H"	44.998201
"349055"	731.381451	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+Hac-H"	59.013851
"1495333"	395.197651	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Hac-H"	59.013851
"963242"	403.163951	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-H+NaCOOH"	66.980151
"115430"	371.153202	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+2Cl"	69.938804
"559366"	539.245102	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+2Cl"	69.938804
"1034727"	203.061302	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2Cl"	69.938804
"1255033"	415.102685	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Br"	78.918885
"1318944"	417.158672	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Cl+HCOOH"	80.974872
"1335353"	439.140629	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Cl+NaCOOH"	102.956829
"926051"	449.169386	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M-H+CF3COOH"	112.985586
"1303125"	485.146064	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Cl+CF3COOH"	148.962264
"1382012"	301.171124	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H-2H2O"	-35.012676
"1394771"	319.1811	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H-H2O"	-17.0027
"292632"	673.374876	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+H"	1.007276
"685785"	1009.558676	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+H"	1.007276
"1361039"	337.191076	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H"	1.007276
"135384"	337.191076	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+2H"	2.014552
"576770"	505.282976	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+2H"	2.014552
"1047391"	169.099176	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2H"	2.014552
"209822"	225.129809333333	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+3H"	3.021828
"657771"	337.191076	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+3H"	3.021828
"1175167"	113.068542666667	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+3H"	3.021828
"436252"	690.401423	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+NH4"	18.033823
"795062"	1026.585223	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+NH4"	18.033823
"1690297"	354.217623	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+NH4"	18.033823
"339307"	345.7043495	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+H+NH4"	19.041099
"724439"	513.7962495	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+H+NH4"	19.041099
"1482633"	177.6124495	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H+NH4"	19.041099
"394019"	695.356818	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+Na"	22.989218
"761215"	1031.540618	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+Na"	22.989218
"1611501"	359.173018	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Na"	22.989218
"323364"	348.182047	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+H+Na"	23.996494
"712871"	516.273947	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+H+Na"	23.996494
"1468874"	180.090147	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H+Na"	23.996494
"1057018"	120.395856666667	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2H+Na"	25.00377
"1260520"	369.217286	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+CH3OH+H"	33.033486
"382376"	711.330758	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+K"	38.963158
"743375"	1047.514558	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+K"	38.963158
"1544334"	375.146958	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+K"	38.963158
"306978"	356.169017	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+H+K"	39.970434
"701587"	524.260917	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+H+K"	39.970434
"1449938"	188.077117	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H+K"	39.970434
"248382"	714.401426	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+ACN+H"	42.033826
"1216716"	378.217626	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+ACN+H"	42.033826
"1197685"	189.612451	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+ACN+2H"	43.041102
"193473"	717.33876	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+2Na-H"	44.97116
"630113"	1053.52256	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+2Na-H"	44.97116
"1134718"	381.15496	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2Na-H"	44.97116
"176915"	359.173018	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+2Na"	45.978436
"622671"	527.264918	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+2Na"	45.978436
"1126177"	191.081118	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2Na"	45.978436
"1405329"	127.723170666667	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H+2Na"	46.985712
"1438533"	383.196546	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H+HCOOH"	47.012746
"226043"	364.20604	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+3H2O+2H"	56.04448
"1508840"	397.24859	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+IsoProp+H"	61.06479
"408891"	367.159988	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+Na+K"	61.952376
"772604"	535.251888	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+Na+K"	61.952376
"1669298"	199.068088	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Na+K"	61.952376
"257644"	736.383368	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+ACN+Na"	64.015768
"1232539"	400.199568	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+ACN+Na"	64.015768
"1720330"	400.223093	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+NH4+HCOOH"	64.039293
"1183498"	135.050484666667	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+3Na"	68.967654
"1661046"	405.178488	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Na+HCOOH"	68.994688
"164629"	749.28664	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+2K-H"	76.91904
"607471"	1085.47044	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+2K-H"	76.91904
"1095269"	413.10284	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2K-H"	76.91904
"154272"	375.146958	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"2M+2K"	77.926316
"591647"	543.238858	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"3M+2K"	77.926316
"1078344"	207.055058	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2K"	77.926316
"1110457"	415.117392	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2K+H"	78.933592
"1339189"	415.205007	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+DMSO+H"	79.021207
"1010999"	419.244176	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2ACN+H"	83.060376
"1533497"	420.237808	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+IsoProp+Na+H"	84.054008
"1001042"	210.125726	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+2ACN+2H"	84.067652
"1601377"	421.152428	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+K+HCOOH"	84.968628
"1422297"	451.183938	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+H+CF3COOH"	115.000138
"1156957"	230.639001	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+3ACN+2H"	125.094202
"1707603"	468.210485	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+NH4+CF3COOH"	132.026685
"1645443"	473.16588	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+Na+CF3COOH"	136.98208
"1577818"	489.13982	"C09107"	"Catharanthine"	"C21H24N2O2"	"336.1838"	"M+K+CF3COOH"	152.95602
"807089"	584.3349	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M"	0
"989008"	565.31651	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-H2O-H"	-19.01839
"76894"	388.549324	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M-3H"	-3.021828
"517542"	583.327624	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M-3H"	-3.021828
"895438"	193.771024	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-3H"	-3.021828
"14524"	583.327624	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M-2H"	-2.014552
"453111"	875.495074	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M-2H"	-2.014552
"830913"	291.160174	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-2H"	-2.014552
"90906"	1167.662524	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M-H"	-1.007276
"531567"	1751.997424	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M-H"	-1.007276
"908275"	583.327624	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-H"	-1.007276
"57182"	1184.689071	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M-2H+NH4"	16.019271
"497845"	1769.023971	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M-2H+NH4"	16.019271
"876377"	600.354171	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-2H+NH4"	16.019271
"44638"	1189.644466	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M-2H+Na"	20.974666
"484928"	1773.979366	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M-2H+Na"	20.974666
"861277"	605.309566	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-2H+Na"	20.974666
"1629353"	605.309566	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Na-2H"	20.974666
"104788"	601.315963	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M-H+Cl"	33.962126
"545442"	893.483413	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M-H+Cl"	33.962126
"937861"	309.148513	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-H+Cl"	33.962126
"280789"	1203.639202	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+Cl"	34.969402
"664466"	1787.974102	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+Cl"	34.969402
"1281976"	619.304302	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Cl"	34.969402
"18331"	1205.618406	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M-2H+K"	36.948606
"460078"	1789.953306	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M-2H+K"	36.948606
"836786"	621.283506	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-2H+K"	36.948606
"1560274"	621.283506	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+K-2H"	36.948606
"949250"	629.333094	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-H+HCOOH"	44.998194
"366375"	1213.668001	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+HCOOH-H"	44.998201
"351351"	1227.683651	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+Hac-H"	59.013851
"1500180"	643.348751	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Hac-H"	59.013851
"961893"	651.315051	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-H+NaCOOH"	66.980151
"119915"	619.304302	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+2Cl"	69.938804
"558383"	911.471752	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+2Cl"	69.938804
"1034837"	327.136852	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2Cl"	69.938804
"1250041"	663.253785	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Br"	78.918885
"1317962"	665.309772	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Cl+HCOOH"	80.974872
"1333636"	687.291729	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Cl+NaCOOH"	102.956829
"925435"	697.320486	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M-H+CF3COOH"	112.985586
"1303241"	733.297164	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Cl+CF3COOH"	148.962264
"1381768"	549.322224	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H-2H2O"	-35.012676
"1396338"	567.3322	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H-H2O"	-17.0027
"294201"	1169.677076	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+H"	1.007276
"686988"	1754.011976	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+H"	1.007276
"1361149"	585.342176	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H"	1.007276
"136953"	585.342176	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+2H"	2.014552
"575420"	877.509626	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+2H"	2.014552
"1047865"	293.174726	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2H"	2.014552
"213214"	390.563876	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+3H"	3.021828
"656786"	585.342176	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+3H"	3.021828
"1176131"	195.785576	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+3H"	3.021828
"435996"	1186.703623	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+NH4"	18.033823
"794078"	1771.038523	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+NH4"	18.033823
"1692596"	602.368723	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+NH4"	18.033823
"339417"	593.8554495	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+H+NH4"	19.041099
"727829"	886.0228995	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+H+NH4"	19.041099
"1482743"	301.6879995	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H+NH4"	19.041099
"395223"	1191.659018	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+Na"	22.989218
"761325"	1775.993918	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+Na"	22.989218
"1606143"	607.324118	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Na"	22.989218
"324931"	596.333147	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+H+Na"	23.996494
"715167"	888.500597	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+H+Na"	23.996494
"1468984"	304.165697	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H+Na"	23.996494
"1057859"	203.11289	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2H+Na"	25.00377
"1262819"	617.368386	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+CH3OH+H"	33.033486
"381394"	1207.632958	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+K"	38.963158
"745672"	1791.967858	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+K"	38.963158
"1543715"	623.298058	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+K"	38.963158
"304901"	604.320117	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+H+K"	39.970434
"702790"	896.487567	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+H+K"	39.970434
"1453329"	312.152667	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H+K"	39.970434
"247400"	1210.703626	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+ACN+H"	42.033826
"1216826"	626.368726	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+ACN+H"	42.033826
"1199618"	313.688001	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+ACN+2H"	43.041102
"189939"	1213.64096	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+2Na-H"	44.97116
"630959"	1797.97586	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+2Na-H"	44.97116
"1135558"	629.30606	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2Na-H"	44.97116
"175569"	607.324118	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+2Na"	45.978436
"620595"	899.491568	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+2Na"	45.978436
"1124101"	315.156668	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2Na"	45.978436
"1407261"	210.440204	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H+2Na"	46.985712
"1441924"	631.347646	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H+HCOOH"	47.012746
"221173"	612.35714	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+3H2O+2H"	56.04448
"1508571"	645.39969	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+IsoProp+H"	61.06479
"408690"	615.311088	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+Na+K"	61.952376
"772714"	907.478538	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+Na+K"	61.952376
"1669044"	323.143638	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Na+K"	61.952376
"259940"	1232.685568	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+ACN+Na"	64.015768
"1232649"	648.350668	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+ACN+Na"	64.015768
"1722627"	648.374193	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+NH4+HCOOH"	64.039293
"1185795"	217.767518	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+3Na"	68.967654
"1662249"	653.329588	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Na+HCOOH"	68.994688
"164738"	1245.58884	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+2K-H"	76.91904
"608675"	1829.92374	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+2K-H"	76.91904
"1095374"	661.25394	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2K-H"	76.91904
"154382"	623.298058	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"2M+2K"	77.926316
"592849"	915.465508	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"3M+2K"	77.926316
"1080639"	331.130608	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2K"	77.926316
"1106193"	663.268492	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2K+H"	78.933592
"1341486"	663.356107	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+DMSO+H"	79.021207
"1017670"	667.395276	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2ACN+H"	83.060376
"1535795"	668.388908	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+IsoProp+Na+H"	84.054008
"1002975"	334.201276	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+2ACN+2H"	84.067652
"1601486"	669.303528	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+K+HCOOH"	84.968628
"1422406"	699.335038	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+H+CF3COOH"	115.000138
"1160349"	354.714551	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+3ACN+2H"	125.094202
"1707713"	716.361585	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+NH4+CF3COOH"	132.026685
"1640086"	721.31698	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+Na+CF3COOH"	136.98208
"1576835"	737.29092	"C09108"	"Huratoxin"	"C34H48O8"	"584.3349"	"M+K+CF3COOH"	152.95602
"807199"	413.1634	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M"	0
"989282"	394.14501	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-H2O-H"	-19.01839
"78315"	274.434990666667	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M-3H"	-3.021828
"518499"	412.156124	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M-3H"	-3.021828
"895566"	136.713857333333	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-3H"	-3.021828
"15692"	412.156124	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M-2H"	-2.014552
"453221"	618.737824	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M-2H"	-2.014552
"824462"	205.574424	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-2H"	-2.014552
"87735"	825.319524	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M-H"	-1.007276
"523284"	1238.482924	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M-H"	-1.007276
"908385"	412.156124	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-H"	-1.007276
"58385"	842.346071	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M-2H+NH4"	16.019271
"500862"	1255.509471	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M-2H+NH4"	16.019271
"877940"	429.182671	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-2H+NH4"	16.019271
"41464"	847.301466	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M-2H+Na"	20.974666
"484306"	1260.464866	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M-2H+Na"	20.974666
"862116"	434.138066	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-2H+Na"	20.974666
"1628370"	434.138066	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Na-2H"	20.974666
"105991"	430.144463	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M-H+Cl"	33.962126
"545552"	636.726163	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M-H+Cl"	33.962126
"939796"	223.562763	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-H+Cl"	33.962126
"278716"	861.296202	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+Cl"	34.969402
"667856"	1274.459602	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+Cl"	34.969402
"1284272"	448.132802	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Cl"	34.969402
"18441"	863.275406	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M-2H+K"	36.948606
"460188"	1276.438806	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M-2H+K"	36.948606
"836897"	450.112006	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-2H+K"	36.948606
"1560384"	450.112006	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+K-2H"	36.948606
"948267"	458.161594	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-H+HCOOH"	44.998194
"367578"	871.325001	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+HCOOH-H"	44.998201
"352189"	885.340651	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+Hac-H"	59.013851
"1501383"	472.177251	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Hac-H"	59.013851
"964554"	480.143551	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-H+NaCOOH"	66.980151
"122211"	448.132802	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+2Cl"	69.938804
"561772"	654.714502	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+2Cl"	69.938804
"1033852"	241.551102	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2Cl"	69.938804
"1251243"	492.082285	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Br"	78.918885
"1315881"	494.138272	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Cl+HCOOH"	80.974872
"1334472"	516.120229	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Cl+NaCOOH"	102.956829
"925908"	526.148986	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M-H+CF3COOH"	112.985586
"1303589"	562.125664	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Cl+CF3COOH"	148.962264
"1381511"	378.150724	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H-2H2O"	-35.012676
"1397545"	396.1607	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H-H2O"	-17.0027
"297591"	827.334076	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+H"	1.007276
"688553"	1240.497476	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+H"	1.007276
"1360893"	414.170676	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H"	1.007276
"138156"	414.170676	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+2H"	2.014552
"573341"	620.752376	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+2H"	2.014552
"1049432"	207.588976	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2H"	2.014552
"208949"	276.449542666667	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+3H"	3.021828
"656894"	414.170676	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+3H"	3.021828
"1175393"	138.728409333333	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+3H"	3.021828
"439022"	844.360623	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+NH4"	18.033823
"795281"	1257.524023	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+NH4"	18.033823
"1690518"	431.197223	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+NH4"	18.033823
"340984"	422.6839495	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+H+NH4"	19.041099
"727939"	629.2656495	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+H+NH4"	19.041099
"1482853"	216.1022495	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H+NH4"	19.041099
"395332"	849.316018	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+Na"	22.989218
"761435"	1262.479418	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+Na"	22.989218
"1606253"	436.152618	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Na"	22.989218
"329538"	425.161647	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+H+Na"	23.996494
"719648"	631.743347	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+H+Na"	23.996494
"1469094"	218.579947	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H+Na"	23.996494
"1062341"	146.055723333333	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2H+Na"	25.00377
"1262927"	446.196886	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+CH3OH+H"	33.033486
"386969"	865.289958	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+K"	38.963158
"744687"	1278.453358	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+K"	38.963158
"1550022"	452.126558	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+K"	38.963158
"308290"	433.148617	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+H+K"	39.970434
"704723"	639.730317	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+H+K"	39.970434
"1455626"	226.566917	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H+K"	39.970434
"248603"	868.360626	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+ACN+H"	42.033826
"1218029"	455.197226	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+ACN+H"	42.033826
"1199728"	228.102251	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+ACN+2H"	43.041102
"190412"	871.29796	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+2Na-H"	44.97116
"629606"	1284.46136	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+2Na-H"	44.97116
"1132265"	458.13456	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2Na-H"	44.97116
"173855"	436.152618	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+2Na"	45.978436
"620705"	642.734318	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+2Na"	45.978436
"1126398"	229.570918	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2Na"	45.978436
"1408828"	153.383037333333	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H+2Na"	46.985712
"1442034"	460.176146	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H+HCOOH"	47.012746
"224078"	441.18564	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+3H2O+2H"	56.04448
"1509103"	474.22819	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+IsoProp+H"	61.06479
"408677"	444.139588	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+Na+K"	61.952376
"772824"	650.721288	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+Na+K"	61.952376
"1669154"	237.557888	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Na+K"	61.952376
"260050"	890.342568	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+ACN+Na"	64.015768
"1232758"	477.179168	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+ACN+Na"	64.015768
"1721643"	477.202693	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+NH4+HCOOH"	64.039293
"1191371"	160.710351333333	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+3Na"	68.967654
"1659077"	482.158088	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Na+HCOOH"	68.994688
"163752"	903.24584	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+2K-H"	76.91904
"604410"	1316.40924	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+2K-H"	76.91904
"1094389"	490.08244	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2K-H"	76.91904
"153395"	452.126558	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"2M+2K"	77.926316
"591862"	658.708258	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"3M+2K"	77.926316
"1078560"	245.544858	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2K"	77.926316
"1112862"	492.096992	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2K+H"	78.933592
"1343782"	492.184607	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+DMSO+H"	79.021207
"1014500"	496.223776	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2ACN+H"	83.060376
"1534811"	497.217408	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+IsoProp+Na+H"	84.054008
"1005149"	248.615526	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+2ACN+2H"	84.067652
"1601231"	498.132028	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+K+HCOOH"	84.968628
"1422518"	528.163538	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+H+CF3COOH"	115.000138
"1151712"	269.128801	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+3ACN+2H"	125.094202
"1707823"	545.190085	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+NH4+CF3COOH"	132.026685
"1640196"	550.14548	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+Na+CF3COOH"	136.98208
"1578038"	566.11942	"C09109"	"Hymatoxin A"	"C20H29O7S"	"413.1634"	"M+K+CF3COOH"	152.95602
"814969"	318.2195	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M"	0
"987409"	299.20111	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"78203"	211.139057333333	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"518300"	317.212224	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"894107"	105.065890666667	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"14871"	317.212224	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"455328"	476.321974	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"832227"	158.102474	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"90032"	635.431724	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"526312"	953.651224	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"909467"	317.212224	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"59588"	652.458271	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"499879"	970.677771	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"878415"	334.238771	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"41574"	657.413666	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"484417"	975.633166	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"862952"	339.194166	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1631399"	339.194166	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"106835"	335.200563	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"546757"	494.310313	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"940274"	176.090813	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"279922"	671.408402	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"666873"	989.627902	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1281466"	353.188902	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"21833"	673.387606	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"463580"	991.607106	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"838101"	355.168106	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1561589"	355.168106	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"949472"	363.217694	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"367688"	681.437201	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"353757"	695.452851	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1500400"	377.233351	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"963571"	385.199651	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"120134"	353.188902	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"562975"	512.298652	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1033962"	194.079152	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1250260"	397.138385	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1315991"	399.194372	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1334582"	421.176329	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"926750"	431.205086	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1304068"	467.181764	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1382471"	283.206824	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1398307"	301.2168	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"298496"	637.446276	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"691058"	955.665776	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1365744"	319.226776	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"140456"	319.226776	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"580378"	478.336526	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1047355"	160.117026	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"214162"	213.153609333333	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"655911"	319.226776	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1176229"	107.080442666667	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"437310"	654.472823	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"797214"	972.692323	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1688442"	336.253323	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"344012"	327.7400495	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"736069"	486.8497995	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1482963"	168.6302995	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"397267"	659.428218	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"760452"	977.647718	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1612924"	341.208718	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"327338"	330.217747	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"719759"	489.327497	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1471394"	171.107997	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1064639"	114.407756666667	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1267412"	351.252986	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"385988"	675.402158	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"744799"	993.621658	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1547940"	357.182658	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"308399"	338.204717	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"700822"	497.314467	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1459014"	179.094967	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"247619"	678.472826	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1221423"	360.253326	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1204214"	180.630301	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"192710"	681.41016	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"632273"	999.62966	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1132253"	363.19066	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"180161"	341.208718	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"617535"	500.318468	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1124321"	182.098968	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1404565"	121.735070666667	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1438866"	365.232246	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"232572"	346.24174	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1509091"	379.28429	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"410113"	349.195688	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"772934"	508.305438	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1675825"	190.085938	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"260160"	700.454768	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1233962"	382.235268	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1725034"	382.258793	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1193670"	129.062384666667	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1664907"	387.214188	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"164958"	713.35804	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"607800"	1031.57754	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1095593"	395.13854	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"155450"	357.182658	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"595133"	516.292408	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1077579"	198.072908	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1110788"	397.153092	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1346079"	397.240707	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1016797"	401.279876	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1536015"	402.273508	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1002463"	201.143576	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1601585"	403.188128	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1421535"	433.219638	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1151820"	221.656851	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1701373"	450.246185	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1640307"	455.20158	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1578148"	471.17552	"C09110"	"Ineketone"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"807419"	432.2148	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M"	0
"989671"	413.19641	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-H2O-H"	-19.01839
"78445"	287.135924	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M-3H"	-3.021828
"517511"	431.207524	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M-3H"	-3.021828
"895068"	143.064324	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-3H"	-3.021828
"13517"	431.207524	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M-2H"	-2.014552
"455359"	647.314924	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M-2H"	-2.014552
"830150"	215.100124	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-2H"	-2.014552
"91235"	863.422324	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M-H"	-1.007276
"525329"	1295.637124	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M-H"	-1.007276
"909334"	431.207524	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-H"	-1.007276
"57511"	880.448871	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M-2H+NH4"	16.019271
"501323"	1312.663671	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M-2H+NH4"	16.019271
"873781"	448.234071	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-2H+NH4"	16.019271
"42777"	885.404266	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M-2H+Na"	20.974666
"484527"	1317.619066	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M-2H+Na"	20.974666
"861968"	453.189466	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-2H+Na"	20.974666
"1631508"	453.189466	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Na-2H"	20.974666
"108282"	449.195863	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M-H+Cl"	33.962126
"547963"	665.303263	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M-H+Cl"	33.962126
"941478"	233.088463	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-H+Cl"	33.962126
"282222"	899.399002	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+Cl"	34.969402
"672449"	1331.613802	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+Cl"	34.969402
"1285590"	467.184202	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Cl"	34.969402
"20851"	901.378206	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M-2H+K"	36.948606
"459317"	1333.593006	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M-2H+K"	36.948606
"841492"	469.163406	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-2H+K"	36.948606
"1562793"	469.163406	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+K-2H"	36.948606
"953958"	477.212994	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-H+HCOOH"	44.998194
"367069"	909.427801	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+HCOOH-H"	44.998201
"353866"	923.443451	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+Hac-H"	59.013851
"1500513"	491.228651	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Hac-H"	59.013851
"968057"	499.194951	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-H+NaCOOH"	66.980151
"122432"	467.184202	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+2Cl"	69.938804
"564788"	683.291602	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+2Cl"	69.938804
"1035895"	251.076802	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2Cl"	69.938804
"1253650"	511.133685	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Br"	78.918885
"1316466"	513.189672	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Cl+HCOOH"	80.974872
"1332140"	535.171629	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Cl+NaCOOH"	102.956829
"924659"	545.200386	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M-H+CF3COOH"	112.985586
"1304016"	581.177064	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Cl+CF3COOH"	148.962264
"1381003"	397.202124	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H-2H2O"	-35.012676
"1398093"	415.2121	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H-H2O"	-17.0027
"297814"	865.436876	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+H"	1.007276
"690234"	1297.651676	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+H"	1.007276
"1362572"	433.222076	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H"	1.007276
"135096"	433.222076	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+2H"	2.014552
"575385"	649.329476	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+2H"	2.014552
"1047832"	217.114676	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2H"	2.014552
"216096"	289.150476	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+3H"	3.021828
"658212"	433.222076	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+3H"	3.021828
"1176705"	145.078876	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+3H"	3.021828
"436331"	882.463423	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+NH4"	18.033823
"795502"	1314.678223	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+NH4"	18.033823
"1694749"	450.248623	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+NH4"	18.033823
"342300"	441.7353495	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+H+NH4"	19.041099
"737273"	657.8427495	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+H+NH4"	19.041099
"1486354"	225.6279495	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H+NH4"	19.041099
"406857"	887.418818	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+Na"	22.989218
"769310"	1319.633618	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+Na"	22.989218
"1618419"	455.204018	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Na"	22.989218
"328420"	444.213047	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+H+Na"	23.996494
"722626"	660.320447	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+H+Na"	23.996494
"1475879"	228.105647	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H+Na"	23.996494
"1064753"	152.40619	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2H+Na"	25.00377
"1270805"	465.248286	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+CH3OH+H"	33.033486
"391203"	903.392758	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+K"	38.963158
"753297"	1335.607558	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+K"	38.963158
"1554983"	471.177958	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+K"	38.963158
"311793"	452.200017	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+H+K"	39.970434
"706770"	668.307417	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+H+K"	39.970434
"1459127"	236.092617	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H+K"	39.970434
"249796"	906.463426	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+ACN+H"	42.033826
"1223719"	474.248626	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+ACN+H"	42.033826
"1204325"	237.627951	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+ACN+2H"	43.041102
"195007"	909.40076	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+2Na-H"	44.97116
"631290"	1341.61556	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+2Na-H"	44.97116
"1138076"	477.18596	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2Na-H"	44.97116
"180273"	455.204018	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+2Na"	45.978436
"626028"	671.311418	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+2Na"	45.978436
"1126620"	239.096618	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2Na"	45.978436
"1410872"	159.733504	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H+2Na"	46.985712
"1444083"	479.227546	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H+HCOOH"	47.012746
"234506"	460.23704	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+3H2O+2H"	56.04448
"1511269"	493.27959	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+IsoProp+H"	61.06479
"414236"	463.190988	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+Na+K"	61.952376
"779604"	679.298388	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+Na+K"	61.952376
"1677029"	247.083588	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Na+K"	61.952376
"258084"	928.445368	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+ACN+Na"	64.015768
"1238446"	496.230568	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+ACN+Na"	64.015768
"1724052"	496.254093	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+NH4+HCOOH"	64.039293
"1193540"	167.060818	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+3Na"	68.967654
"1663675"	501.209488	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Na+HCOOH"	68.994688
"169443"	941.34864	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+2K-H"	76.91904
"607910"	1373.56344	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+2K-H"	76.91904
"1094610"	509.13384	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2K-H"	76.91904
"156290"	471.177958	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"2M+2K"	77.926316
"596824"	687.285358	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"3M+2K"	77.926316
"1078782"	255.070558	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2K"	77.926316
"1111991"	511.148392	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2K+H"	78.933592
"1348376"	511.236007	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+DMSO+H"	79.021207
"1019824"	515.275176	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2ACN+H"	83.060376
"1536125"	516.268808	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+IsoProp+Na+H"	84.054008
"1001479"	258.141226	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+2ACN+2H"	84.067652
"1601816"	517.183428	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+K+HCOOH"	84.968628
"1424925"	547.214938	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+H+CF3COOH"	115.000138
"1150838"	278.654501	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+3ACN+2H"	125.094202
"1702577"	564.241485	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+NH4+CF3COOH"	132.026685
"1640417"	569.19688	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+Na+CF3COOH"	136.98208
"1578258"	585.17082	"C09111"	"Inflexin;3beta11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-615-dione"	"C24H32O7"	"432.2148"	"M+K+CF3COOH"	152.95602
"807529"	348.1937	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M"	0
"987994"	329.17531	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-H2O-H"	-19.01839
"74778"	231.121857333333	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M-3H"	-3.021828
"515432"	347.186424	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M-3H"	-3.021828
"892867"	115.057290666667	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-3H"	-3.021828
"11805"	347.186424	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M-2H"	-2.014552
"455016"	521.283274	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M-2H"	-2.014552
"830630"	173.089574	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-2H"	-2.014552
"88065"	695.380124	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M-H"	-1.007276
"525438"	1043.573824	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M-H"	-1.007276
"902153"	347.186424	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-H"	-1.007276
"57620"	712.406671	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M-2H+NH4"	16.019271
"493898"	1060.600371	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M-2H+NH4"	16.019271
"866234"	364.212971	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-2H+NH4"	16.019271
"33772"	717.362066	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M-2H+Na"	20.974666
"483541"	1065.555766	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M-2H+Na"	20.974666
"862439"	369.168366	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-2H+Na"	20.974666
"1632346"	369.168366	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Na-2H"	20.974666
"108148"	365.174763	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M-H+Cl"	33.962126
"548800"	539.271613	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M-H+Cl"	33.962126
"940852"	191.077913	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-H+Cl"	33.962126
"281229"	731.356802	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+Cl"	34.969402
"671465"	1079.550502	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+Cl"	34.969402
"1277311"	383.163102	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Cl"	34.969402
"22055"	733.336006	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M-2H+K"	36.948606
"461613"	1081.529706	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M-2H+K"	36.948606
"838322"	385.142306	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-2H+K"	36.948606
"1562905"	385.142306	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+K-2H"	36.948606
"951881"	393.191894	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-H+HCOOH"	44.998194
"369000"	741.385601	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+HCOOH-H"	44.998201
"353976"	755.401251	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+Hac-H"	59.013851
"1499529"	407.207551	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Hac-H"	59.013851
"965979"	415.173851	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-H+NaCOOH"	66.980151
"121448"	383.163102	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+2Cl"	69.938804
"563195"	557.259952	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+2Cl"	69.938804
"1033088"	209.066252	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2Cl"	69.938804
"1250478"	427.112585	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Br"	78.918885
"1315115"	429.168572	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Cl+HCOOH"	80.974872
"1332250"	451.150529	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Cl+NaCOOH"	102.956829
"923674"	461.179286	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M-H+CF3COOH"	112.985586
"1303303"	497.155964	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Cl+CF3COOH"	148.962264
"1382564"	313.181024	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H-2H2O"	-35.012676
"1394951"	331.191	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H-H2O"	-17.0027
"297191"	697.394676	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+H"	1.007276
"688155"	1045.588376	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+H"	1.007276
"1361221"	349.200976	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H"	1.007276
"133747"	349.200976	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+2H"	2.014552
"576589"	523.297826	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+2H"	2.014552
"1049398"	175.104126	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2H"	2.014552
"213290"	233.136409333333	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+3H"	3.021828
"657225"	349.200976	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+3H"	3.021828
"1176444"	117.071842666667	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+3H"	3.021828
"437898"	714.421223	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+NH4"	18.033823
"791238"	1062.614923	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+NH4"	18.033823
"1682952"	366.227523	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+NH4"	18.033823
"338034"	357.7142495	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+H+NH4"	19.041099
"728267"	531.8110995	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+H+NH4"	19.041099
"1479903"	183.6173995	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H+NH4"	19.041099
"399676"	719.376618	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+Na"	22.989218
"763953"	1067.570318	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+Na"	22.989218
"1617156"	371.182918	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Na"	22.989218
"323183"	360.191947	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+H+Na"	23.996494
"717792"	534.288797	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+H+Na"	23.996494
"1473799"	186.095097	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H+Na"	23.996494
"1062671"	124.399156666667	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2H+Na"	25.00377
"1267629"	381.227186	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+CH3OH+H"	33.033486
"388391"	735.350558	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+K"	38.963158
"753035"	1083.544258	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+K"	38.963158
"1551446"	387.156858	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+K"	38.963158
"313973"	368.178917	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+H+K"	39.970434
"706720"	542.275767	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+H+K"	39.970434
"1458144"	194.082067	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H+K"	39.970434
"250636"	738.421226	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+ACN+H"	42.033826
"1222734"	390.227526	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+ACN+H"	42.033826
"1205526"	195.617401	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+ACN+2H"	43.041102
"194024"	741.35856	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+2Na-H"	44.97116
"628962"	1089.55226	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+2Na-H"	44.97116
"1137091"	393.16486	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2Na-H"	44.97116
"173291"	371.182918	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+2Na"	45.978436
"618847"	545.279768	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+2Na"	45.978436
"1126729"	197.086068	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2Na"	45.978436
"1410982"	131.726470666667	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H+2Na"	46.985712
"1443825"	395.206446	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H+HCOOH"	47.012746
"232061"	376.21594	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+3H2O+2H"	56.04448
"1509919"	409.25849	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+IsoProp+H"	61.06479
"422730"	379.169888	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+Na+K"	61.952376
"778622"	553.266738	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+Na+K"	61.952376
"1673859"	205.073038	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Na+K"	61.952376
"260380"	760.403168	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+ACN+Na"	64.015768
"1236369"	412.209468	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+ACN+Na"	64.015768
"1724161"	412.232993	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+NH4+HCOOH"	64.039293
"1191704"	139.053784666667	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+3Na"	68.967654
"1665447"	417.188388	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Na+HCOOH"	68.994688
"165178"	773.30644	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+2K-H"	76.91904
"605833"	1121.50014	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+2K-H"	76.91904
"1093627"	425.11274	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2K-H"	76.91904
"154818"	387.156858	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"2M+2K"	77.926316
"592192"	561.253708	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"3M+2K"	77.926316
"1076705"	213.060008	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2K"	77.926316
"1109914"	427.127292	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2K+H"	78.933592
"1343018"	427.214907	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+DMSO+H"	79.021207
"1011546"	431.254076	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2ACN+H"	83.060376
"1532951"	432.247708	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+IsoProp+Na+H"	84.054008
"997213"	216.130676	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+2ACN+2H"	84.067652
"1596093"	433.162328	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+K+HCOOH"	84.968628
"1422844"	463.193838	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+H+CF3COOH"	115.000138
"1154227"	236.643951	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+3ACN+2H"	125.094202
"1700499"	480.220385	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+NH4+CF3COOH"	132.026685
"1636150"	485.17578	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+Na+CF3COOH"	136.98208
"1578368"	501.14972	"C09112"	"Ingenol"	"C20H28O5"	"348.1937"	"M+K+CF3COOH"	152.95602
"807639"	556.2461	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M"	0
"986645"	537.22771	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-H2O-H"	-19.01839
"74887"	369.823457333333	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M-3H"	-3.021828
"514448"	555.238824	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M-3H"	-3.021828
"891154"	184.408090666667	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-3H"	-3.021828
"11551"	555.238824	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M-2H"	-2.014552
"454151"	833.361874	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M-2H"	-2.014552
"831589"	277.115774	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-2H"	-2.014552
"85989"	1111.484924	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M-H"	-1.007276
"526642"	1667.731024	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M-H"	-1.007276
"898983"	555.238824	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-H"	-1.007276
"54450"	1128.511471	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M-2H+NH4"	16.019271
"492915"	1684.757571	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M-2H+NH4"	16.019271
"865616"	572.265371	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-2H+NH4"	16.019271
"32546"	1133.466866	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M-2H+Na"	20.974666
"482558"	1689.712966	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M-2H+Na"	20.974666
"861456"	577.220766	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-2H+Na"	20.974666
"1633186"	577.220766	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Na-2H"	20.974666
"108864"	573.227163	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M-H+Cl"	33.962126
"548546"	851.350213	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M-H+Cl"	33.962126
"941694"	295.104113	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-H+Cl"	33.962126
"280975"	1147.461602	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+Cl"	34.969402
"673761"	1703.707702	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+Cl"	34.969402
"1280701"	591.215502	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Cl"	34.969402
"25444"	1149.440806	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M-2H+K"	36.948606
"459536"	1705.686906	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M-2H+K"	36.948606
"840618"	593.194706	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-2H+K"	36.948606
"1564108"	593.194706	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+K-2H"	36.948606
"953084"	601.244294	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-H+HCOOH"	44.998194
"368016"	1157.490401	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+HCOOH-H"	44.998201
"354086"	1171.506051	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+Hac-H"	59.013851
"1500731"	615.259951	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Hac-H"	59.013851
"968276"	623.226251	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-H+NaCOOH"	66.980151
"120466"	591.215502	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+2Cl"	69.938804
"563671"	869.338552	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+2Cl"	69.938804
"1034657"	313.092452	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2Cl"	69.938804
"1250588"	635.164985	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Br"	78.918885
"1314861"	637.220972	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Cl+HCOOH"	80.974872
"1332724"	659.202929	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Cl+NaCOOH"	102.956829
"924880"	669.231686	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M-H+CF3COOH"	112.985586
"1303618"	705.208364	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Cl+CF3COOH"	148.962264
"1382431"	521.233424	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H-2H2O"	-35.012676
"1398306"	539.2434	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H-H2O"	-17.0027
"297911"	1113.499476	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+H"	1.007276
"690453"	1669.745576	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+H"	1.007276
"1361330"	557.253376	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H"	1.007276
"136044"	557.253376	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+2H"	2.014552
"574876"	835.376426	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+2H"	2.014552
"1046591"	279.130326	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2H"	2.014552
"211577"	371.838009333333	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+3H"	3.021828
"656241"	557.253376	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+3H"	3.021828
"1174002"	186.422642666667	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+3H"	3.021828
"436912"	1130.526023	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+NH4"	18.033823
"785838"	1686.772123	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+NH4"	18.033823
"1682577"	574.279923	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+NH4"	18.033823
"331583"	565.7666495	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+H+NH4"	19.041099
"728377"	843.8896995	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+H+NH4"	19.041099
"1480013"	287.6435995	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H+NH4"	19.041099
"399786"	1135.481418	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+Na"	22.989218
"764063"	1691.727518	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+Na"	22.989218
"1617145"	579.235318	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Na"	22.989218
"323293"	568.244347	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+H+Na"	23.996494
"718995"	846.367397	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+H+Na"	23.996494
"1472816"	290.121297	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H+Na"	23.996494
"1062781"	193.749956666667	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2H+Na"	25.00377
"1267739"	589.279586	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+CH3OH+H"	33.033486
"387408"	1151.455358	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+K"	38.963158
"752416"	1707.701458	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+K"	38.963158
"1551555"	595.209258	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+K"	38.963158
"313107"	576.231317	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+H+K"	39.970434
"705529"	854.354367	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+H+K"	39.970434
"1457160"	298.108267	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H+K"	39.970434
"246858"	1154.526026	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+ACN+H"	42.033826
"1223573"	598.279926	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+ACN+H"	42.033826
"1204543"	299.643601	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+ACN+2H"	43.041102
"193040"	1157.46336	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+2Na-H"	44.97116
"628523"	1713.70946	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+2Na-H"	44.97116
"1132098"	601.21726	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2Na-H"	44.97116
"172947"	579.235318	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+2Na"	45.978436
"617863"	857.358368	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+2Na"	45.978436
"1119549"	301.112268	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2Na"	45.978436
"1404895"	201.077270666667	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H+2Na"	46.985712
"1438103"	603.258846	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H+HCOOH"	47.012746
"227797"	584.26834	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+3H2O+2H"	56.04448
"1511853"	617.31089	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+IsoProp+H"	61.06479
"419924"	587.222288	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+Na+K"	61.952376
"776545"	865.345338	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+Na+K"	61.952376
"1675062"	309.099238	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Na+K"	61.952376
"259397"	1176.507968	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+ACN+Na"	64.015768
"1236479"	620.261868	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+ACN+Na"	64.015768
"1723177"	620.285393	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+NH4+HCOOH"	64.039293
"1189627"	208.404584666667	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+3Na"	68.967654
"1664987"	625.240788	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Na+HCOOH"	68.994688
"165288"	1189.41124	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+2K-H"	76.91904
"605943"	1745.65734	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+2K-H"	76.91904
"1094830"	633.16514	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2K-H"	76.91904
"154928"	595.209258	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"2M+2K"	77.926316
"592302"	873.332308	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"3M+2K"	77.926316
"1077908"	317.086208	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2K"	77.926316
"1107837"	635.179692	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2K+H"	78.933592
"1343127"	635.267307	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+DMSO+H"	79.021207
"1009470"	639.306476	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2ACN+H"	83.060376
"1535248"	640.300108	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+IsoProp+Na+H"	84.054008
"998416"	320.156876	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+2ACN+2H"	84.067652
"1598387"	641.214728	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+K+HCOOH"	84.968628
"1422954"	671.246238	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+H+CF3COOH"	115.000138
"1152149"	340.670151	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+3ACN+2H"	125.094202
"1701703"	688.272785	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+NH4+CF3COOH"	132.026685
"1636260"	693.22818	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+Na+CF3COOH"	136.98208
"1578478"	709.20212	"C09113"	"Ingenol 320-dibenzoate"	"C34H36O7"	"556.2461"	"M+K+CF3COOH"	152.95602
"807749"	526.1686	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M"	0
"987120"	507.15021	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-H2O-H"	-19.01839
"75726"	349.771790666667	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M-3H"	-3.021828
"514558"	525.161324	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M-3H"	-3.021828
"890900"	174.382257333333	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-3H"	-3.021828
"11661"	525.161324	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M-2H"	-2.014552
"452683"	788.245624	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M-2H"	-2.014552
"831216"	262.077024	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-2H"	-2.014552
"89379"	1051.329924	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M-H"	-1.007276
"527845"	1577.498524	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M-H"	-1.007276
"902373"	525.161324	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-H"	-1.007276
"52373"	1068.356471	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M-2H+NH4"	16.019271
"493025"	1594.525071	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M-2H+NH4"	16.019271
"867182"	542.187871	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-2H+NH4"	16.019271
"32899"	1073.311866	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M-2H+Na"	20.974666
"478294"	1599.480466	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M-2H+Na"	20.974666
"858286"	547.143266	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-2H+Na"	20.974666
"1632810"	547.143266	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Na-2H"	20.974666
"108002"	543.149663	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M-H+Cl"	33.962126
"548655"	806.233963	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M-H+Cl"	33.962126
"940711"	280.065363	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-H+Cl"	33.962126
"279629"	1087.306602	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+Cl"	34.969402
"670590"	1613.475202	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+Cl"	34.969402
"1282996"	561.138002	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Cl"	34.969402
"26648"	1089.285806	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M-2H+K"	36.948606
"464020"	1615.454406	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M-2H+K"	36.948606
"844009"	563.117206	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-2H+K"	36.948606
"1565310"	563.117206	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+K-2H"	36.948606
"953923"	571.166794	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-H+HCOOH"	44.998194
"368126"	1097.335401	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+HCOOH-H"	44.998201
"355291"	1111.351051	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+Hac-H"	59.013851
"1500844"	585.182451	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Hac-H"	59.013851
"969480"	593.148751	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-H+NaCOOH"	66.980151
"122035"	561.138002	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+2Cl"	69.938804
"559042"	824.222302	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+2Cl"	69.938804
"1032215"	298.053702	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2Cl"	69.938804
"1252524"	605.087485	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Br"	78.918885
"1312055"	607.143472	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Cl+HCOOH"	80.974872
"1331742"	629.125429	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Cl+NaCOOH"	102.956829
"924990"	639.154186	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M-H+CF3COOH"	112.985586
"1304014"	675.130864	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Cl+CF3COOH"	148.962264
"1382548"	491.155924	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H-2H2O"	-35.012676
"1395900"	509.1659	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H-H2O"	-17.0027
"297900"	1053.344476	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+H"	1.007276
"688010"	1579.513076	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+H"	1.007276
"1363995"	527.175876	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H"	1.007276
"137613"	527.175876	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+2H"	2.014552
"576809"	790.260176	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+2H"	2.014552
"1052010"	264.091576	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2H"	2.014552
"218250"	351.786342666667	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+3H"	3.021828
"656352"	527.175876	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+3H"	3.021828
"1176664"	176.396809333333	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+3H"	3.021828
"438115"	1070.371023	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+NH4"	18.033823
"792552"	1596.539623	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+NH4"	18.033823
"1688883"	544.202423	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+NH4"	18.033823
"334973"	535.6891495	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+H+NH4"	19.041099
"729581"	798.7734495	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+H+NH4"	19.041099
"1486684"	272.6048495	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H+NH4"	19.041099
"399896"	1075.326418	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+Na"	22.989218
"769279"	1601.495018	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+Na"	22.989218
"1617745"	549.157818	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Na"	22.989218
"329117"	538.166847	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+H+Na"	23.996494
"720200"	801.251147	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+H+Na"	23.996494
"1476573"	275.082547	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H+Na"	23.996494
"1061798"	183.724123333333	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2H+Na"	25.00377
"1268943"	559.202086	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+CH3OH+H"	33.033486
"386426"	1091.300358	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+K"	38.963158
"751797"	1617.468958	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+K"	38.963158
"1554827"	565.131758	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+K"	38.963158
"312977"	546.153817	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+H+K"	39.970434
"705278"	809.238117	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+H+K"	39.970434
"1458731"	283.069517	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H+K"	39.970434
"245877"	1094.371026	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+ACN+H"	42.033826
"1215306"	568.202426	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+ACN+H"	42.033826
"1199917"	284.604851	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+ACN+2H"	43.041102
"193517"	1097.30836	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+2Na-H"	44.97116
"630524"	1623.47696	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+2Na-H"	44.97116
"1135124"	571.13976	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2Na-H"	44.97116
"175498"	549.157818	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+2Na"	45.978436
"622347"	812.242118	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+2Na"	45.978436
"1119659"	286.073518	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2Na"	45.978436
"1406098"	191.051437333333	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H+2Na"	46.985712
"1437120"	573.181346	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H+HCOOH"	47.012746
"231918"	554.19084	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+3H2O+2H"	56.04448
"1510871"	587.23339	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+IsoProp+H"	61.06479
"413471"	557.144788	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+Na+K"	61.952376
"779208"	820.229088	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+Na+K"	61.952376
"1676265"	294.060488	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Na+K"	61.952376
"262058"	1116.352968	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+ACN+Na"	64.015768
"1235861"	590.184368	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+ACN+Na"	64.015768
"1724380"	590.207893	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+NH4+HCOOH"	64.039293
"1192288"	198.378751333333	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+3Na"	68.967654
"1664615"	595.163288	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Na+HCOOH"	68.994688
"163211"	1129.25624	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+2K-H"	76.91904
"606053"	1655.42484	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+2K-H"	76.91904
"1099562"	603.08764	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2K-H"	76.91904
"156135"	565.131758	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"2M+2K"	77.926316
"592412"	828.216058	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"3M+2K"	77.926316
"1076925"	302.047458	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2K"	77.926316
"1110133"	605.102192	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2K+H"	78.933592
"1343239"	605.189807	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+DMSO+H"	79.021207
"1008851"	609.228976	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2ACN+H"	83.060376
"1534265"	610.222608	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+IsoProp+Na+H"	84.054008
"998527"	305.118126	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+2ACN+2H"	84.067652
"1597404"	611.137228	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+K+HCOOH"	84.968628
"1423063"	641.168738	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+H+CF3COOH"	115.000138
"1154447"	325.631401	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+3ACN+2H"	125.094202
"1705091"	658.195285	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+NH4+CF3COOH"	132.026685
"1635638"	663.15068	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+Na+CF3COOH"	136.98208
"1578588"	679.12462	"C09114"	"Inumakilactone A glycoside"	"C24H30O13"	"526.1686"	"M+K+CF3COOH"	152.95602
"815155"	392.2199	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M"	0
"985773"	373.20151	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-H2O-H"	-19.01839
"72923"	260.472657333333	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M-3H"	-3.021828
"513576"	391.212624	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M-3H"	-3.021828
"891377"	129.732690666667	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-3H"	-3.021828
"14325"	391.212624	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M-2H"	-2.014552
"453887"	587.322574	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M-2H"	-2.014552
"831689"	195.102674	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-2H"	-2.014552
"89490"	783.432524	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M-H"	-1.007276
"532330"	1175.652424	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M-H"	-1.007276
"911193"	391.212624	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-H"	-1.007276
"54669"	800.459071	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M-2H+NH4"	16.019271
"495321"	1192.678971	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M-2H+NH4"	16.019271
"867659"	408.239171	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-2H+NH4"	16.019271
"33373"	805.414466	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M-2H+Na"	20.974666
"478404"	1197.634366	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M-2H+Na"	20.974666
"859489"	413.194566	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-2H+Na"	20.974666
"1629024"	413.194566	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Na-2H"	20.974666
"108110"	409.200963	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M-H+Cl"	33.962126
"546577"	605.310913	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M-H+Cl"	33.962126
"941553"	213.091013	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-H+Cl"	33.962126
"279376"	819.409202	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+Cl"	34.969402
"672886"	1211.629102	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+Cl"	34.969402
"1283106"	427.189302	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Cl"	34.969402
"27487"	821.388406	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M-2H+K"	36.948606
"465223"	1213.608306	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M-2H+K"	36.948606
"847401"	429.168506	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-2H+K"	36.948606
"1567607"	429.168506	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+K-2H"	36.948606
"953304"	437.218094	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-H+HCOOH"	44.998194
"370423"	829.438001	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+HCOOH-H"	44.998201
"358316"	843.453651	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+Hac-H"	59.013851
"1500955"	451.233751	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Hac-H"	59.013851
"971416"	459.200051	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-H+NaCOOH"	66.980151
"120687"	427.189302	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+2Cl"	69.938804
"563531"	623.299252	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+2Cl"	69.938804
"1035247"	231.079352	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2Cl"	69.938804
"1252634"	471.138785	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Br"	78.918885
"1317273"	473.194772	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Cl+HCOOH"	80.974872
"1333311"	495.176729	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Cl+NaCOOH"	102.956829
"926906"	505.205486	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M-H+CF3COOH"	112.985586
"1303976"	541.182164	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Cl+CF3COOH"	148.962264
"1382619"	357.207224	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H-2H2O"	-35.012676
"1397604"	375.2172	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H-H2O"	-17.0027
"298447"	785.447076	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+H"	1.007276
"691344"	1177.666976	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+H"	1.007276
"1366297"	393.227176	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H"	1.007276
"140518"	393.227176	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+2H"	2.014552
"580808"	589.337126	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+2H"	2.014552
"1052281"	197.117226	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2H"	2.014552
"219457"	262.487209333333	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+3H"	3.021828
"659792"	393.227176	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+3H"	3.021828
"1174955"	131.747242666667	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+3H"	3.021828
"426563"	802.473623	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+NH4"	18.033823
"792663"	1194.693523	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+NH4"	18.033823
"1692274"	410.253723	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+NH4"	18.033823
"345375"	401.7404495	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+H+NH4"	19.041099
"731879"	597.8503995	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+H+NH4"	19.041099
"1490078"	205.6304995	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H+NH4"	19.041099
"407544"	807.429018	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+Na"	22.989218
"769149"	1199.648918	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+Na"	22.989218
"1616759"	415.209118	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Na"	22.989218
"328987"	404.218147	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+H+Na"	23.996494
"721774"	600.328097	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+H+Na"	23.996494
"1474132"	208.108197	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H+Na"	23.996494
"1066287"	139.074556666667	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2H+Na"	25.00377
"1267964"	425.253386	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+CH3OH+H"	33.033486
"391890"	823.402958	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+K"	38.963158
"751907"	1215.622858	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+K"	38.963158
"1554693"	431.183058	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+K"	38.963158
"307860"	412.205117	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+H+K"	39.970434
"706237"	608.315067	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+H+K"	39.970434
"1457383"	216.095167	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H+K"	39.970434
"247080"	826.473626	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+ACN+H"	42.033826
"1218695"	434.253726	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+ACN+H"	42.033826
"1204765"	217.630501	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+ACN+2H"	43.041102
"200551"	829.41096	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+2Na-H"	44.97116
"629661"	1221.63086	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+2Na-H"	44.97116
"1134871"	437.19106	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2Na-H"	44.97116
"181806"	415.209118	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+2Na"	45.978436
"617356"	611.319068	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+2Na"	45.978436
"1119767"	219.099168	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2Na"	45.978436
"1405115"	146.401870666667	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H+2Na"	46.985712
"1435042"	439.232646	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H+HCOOH"	47.012746
"225830"	420.24214	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+3H2O+2H"	56.04448
"1521554"	453.28469	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+IsoProp+H"	61.06479
"419784"	423.196088	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+Na+K"	61.952376
"782966"	619.306038	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+Na+K"	61.952376
"1676381"	227.086138	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Na+K"	61.952376
"262537"	848.455568	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+ACN+Na"	64.015768
"1234516"	456.235668	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+ACN+Na"	64.015768
"1724860"	456.259193	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+NH4+HCOOH"	64.039293
"1191307"	153.729184666667	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+3Na"	68.967654
"1658647"	461.214588	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Na+HCOOH"	68.994688
"167699"	861.35884	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+2K-H"	76.91904
"612490"	1253.57874	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+2K-H"	76.91904
"1099592"	469.13894	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2K-H"	76.91904
"155150"	431.183058	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"2M+2K"	77.926316
"593616"	627.293008	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"3M+2K"	77.926316
"1083602"	235.073108	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2K"	77.926316
"1114258"	471.153492	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2K+H"	78.933592
"1344443"	471.241107	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+DMSO+H"	79.021207
"1015159"	475.280276	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2ACN+H"	83.060376
"1531096"	476.273908	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+IsoProp+Na+H"	84.054008
"998636"	238.143776	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+2ACN+2H"	84.067652
"1595331"	477.188528	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+K+HCOOH"	84.968628
"1417708"	507.220038	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+H+CF3COOH"	115.000138
"1154557"	258.657051	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+3ACN+2H"	125.094202
"1701923"	524.246585	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+NH4+CF3COOH"	132.026685
"1636479"	529.20198	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+Na+CF3COOH"	136.98208
"1578698"	545.17592	"C09115"	"Isodomedin"	"C22H32O6"	"392.2199"	"M+K+CF3COOH"	152.95602
"807969"	426.1679	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M"	0
"985883"	407.14951	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-H2O-H"	-19.01839
"74125"	283.104657333333	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M-3H"	-3.021828
"514779"	425.160624	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M-3H"	-3.021828
"892216"	141.048690666667	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-3H"	-3.021828
"14069"	425.160624	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M-2H"	-2.014552
"453268"	638.244574	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M-2H"	-2.014552
"831071"	212.076674	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-2H"	-2.014552
"94017"	851.328524	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M-H"	-1.007276
"532320"	1277.496424	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M-H"	-1.007276
"911138"	425.160624	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-H"	-1.007276
"54779"	868.355071	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M-2H+NH4"	16.019271
"495431"	1294.522971	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M-2H+NH4"	16.019271
"866676"	442.187171	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-2H+NH4"	16.019271
"32755"	873.310466	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M-2H+Na"	20.974666
"477421"	1299.478366	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M-2H+Na"	20.974666
"858506"	447.142566	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-2H+Na"	20.974666
"1632786"	447.142566	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Na-2H"	20.974666
"107853"	443.148963	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M-H+Cl"	33.962126
"544132"	656.232913	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M-H+Cl"	33.962126
"941659"	230.065013	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-H+Cl"	33.962126
"278390"	887.305202	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+Cl"	34.969402
"670810"	1313.473102	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+Cl"	34.969402
"1282122"	461.137302	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Cl"	34.969402
"27597"	889.284406	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M-2H+K"	36.948606
"465333"	1315.452306	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M-2H+K"	36.948606
"843135"	463.116506	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-2H+K"	36.948606
"1565529"	463.116506	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+K-2H"	36.948606
"956694"	471.166094	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-H+HCOOH"	44.998194
"371626"	897.334001	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+HCOOH-H"	44.998201
"358426"	911.349651	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+Hac-H"	59.013851
"1501065"	485.181751	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Hac-H"	59.013851
"971890"	493.148051	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-H+NaCOOH"	66.980151
"119340"	461.137302	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+2Cl"	69.938804
"562182"	674.221252	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+2Cl"	69.938804
"1035721"	248.053352	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2Cl"	69.938804
"1250557"	505.086785	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Br"	78.918885
"1317747"	507.142772	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Cl+HCOOH"	80.974872
"1335444"	529.124729	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Cl+NaCOOH"	102.956829
"925945"	539.153486	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M-H+CF3COOH"	112.985586
"1303379"	575.130164	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Cl+CF3COOH"	148.962264
"1381910"	391.155224	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H-2H2O"	-35.012676
"1398428"	409.1652	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H-H2O"	-17.0027
"298321"	853.343076	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+H"	1.007276
"691335"	1279.510976	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+H"	1.007276
"1366037"	427.175176	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H"	1.007276
"131272"	427.175176	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+2H"	2.014552
"578487"	640.259126	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+2H"	2.014552
"1047288"	214.091226	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2H"	2.014552
"214096"	285.119209333333	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+3H"	3.021828
"653658"	427.175176	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+3H"	3.021828
"1167411"	143.063242666667	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+3H"	3.021828
"427767"	870.369623	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+NH4"	18.033823
"789491"	1296.537523	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+NH4"	18.033823
"1689102"	444.201723	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+NH4"	18.033823
"338475"	435.6884495	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+H+NH4"	19.041099
"731988"	648.7723995	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+H+NH4"	19.041099
"1489096"	222.6044995	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H+NH4"	19.041099
"406682"	875.325018	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+Na"	22.989218
"767678"	1301.492918	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+Na"	22.989218
"1616869"	449.157118	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Na"	22.989218
"327274"	438.166147	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+H+Na"	23.996494
"721516"	651.250097	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+H+Na"	23.996494
"1472056"	225.082197	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H+Na"	23.996494
"1064211"	150.390556666667	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2H+Na"	25.00377
"1268074"	459.201386	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+CH3OH+H"	33.033486
"389929"	891.298958	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+K"	38.963158
"748736"	1317.466858	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+K"	38.963158
"1555126"	465.131058	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+K"	38.963158
"309063"	446.153117	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+H+K"	39.970434
"702579"	659.237067	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+H+K"	39.970434
"1456397"	233.069167	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H+K"	39.970434
"245003"	894.369626	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+ACN+H"	42.033826
"1220989"	468.201726	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+ACN+H"	42.033826
"1200500"	234.604501	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+ACN+2H"	43.041102
"196652"	897.30696	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+2Na-H"	44.97116
"628918"	1323.47486	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+2Na-H"	44.97116
"1134981"	471.13906	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2Na-H"	44.97116
"182280"	449.157118	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+2Na"	45.978436
"619288"	662.241068	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+2Na"	45.978436
"1122794"	236.073168	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2Na"	45.978436
"1405589"	157.717870666667	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H+2Na"	46.985712
"1435152"	473.180646	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H+HCOOH"	47.012746
"227035"	454.19014	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+3H2O+2H"	56.04448
"1520208"	487.23269	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+IsoProp+H"	61.06479
"422081"	457.144088	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+Na+K"	61.952376
"785490"	670.228038	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+Na+K"	61.952376
"1677220"	244.060138	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Na+K"	61.952376
"262647"	916.351568	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+ACN+Na"	64.015768
"1236448"	490.183668	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+ACN+Na"	64.015768
"1723147"	490.207193	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+NH4+HCOOH"	64.039293
"1191418"	165.045184666667	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+3Na"	68.967654
"1657665"	495.162588	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Na+HCOOH"	68.994688
"168901"	929.25484	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+2K-H"	76.91904
"612112"	1355.42274	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+2K-H"	76.91904
"1099051"	503.08694	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2K-H"	76.91904
"154167"	465.131058	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"2M+2K"	77.926316
"593726"	678.215008	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"3M+2K"	77.926316
"1081522"	252.047108	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2K"	77.926316
"1114003"	505.101492	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2K+H"	78.933592
"1344553"	505.189107	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+DMSO+H"	79.021207
"1014176"	509.228276	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2ACN+H"	83.060376
"1530113"	510.221908	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+IsoProp+Na+H"	84.054008
"998746"	255.117776	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+2ACN+2H"	84.067652
"1594347"	511.136528	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+K+HCOOH"	84.968628
"1417818"	541.168038	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+H+CF3COOH"	115.000138
"1154667"	275.631051	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+3ACN+2H"	125.094202
"1699846"	558.194585	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+NH4+CF3COOH"	132.026685
"1635497"	563.14998	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+Na+CF3COOH"	136.98208
"1578808"	579.12392	"C09116"	"Archangelicin"	"C24H26O7"	"426.1679"	"M+K+CF3COOH"	152.95602
"808079"	404.1835	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M"	0
"984897"	385.16511	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-H2O-H"	-19.01839
"73143"	268.448390666667	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M-3H"	-3.021828
"514889"	403.176224	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M-3H"	-3.021828
"891600"	133.720557333333	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-3H"	-3.021828
"14544"	403.176224	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M-2H"	-2.014552
"454470"	605.267974	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M-2H"	-2.014552
"830453"	201.084474	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-2H"	-2.014552
"93481"	807.359724	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M-H"	-1.007276
"533851"	1211.543224	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M-H"	-1.007276
"908904"	403.176224	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-H"	-1.007276
"48695"	824.386271	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M-2H+NH4"	16.019271
"488985"	1228.569771	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M-2H+NH4"	16.019271
"870068"	420.202771	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-2H+NH4"	16.019271
"34688"	829.341666	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M-2H+Na"	20.974666
"481909"	1233.525166	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M-2H+Na"	20.974666
"858616"	425.158166	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-2H+Na"	20.974666
"1631436"	425.158166	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Na-2H"	20.974666
"103589"	421.164563	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M-H+Cl"	33.962126
"545336"	623.256313	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M-H+Cl"	33.962126
"940673"	219.072813	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-H+Cl"	33.962126
"279960"	843.336402	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+Cl"	34.969402
"673110"	1247.519902	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+Cl"	34.969402
"1283327"	439.152902	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Cl"	34.969402
"28072"	845.315606	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M-2H+K"	36.948606
"465444"	1249.499106	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M-2H+K"	36.948606
"842152"	441.132106	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-2H+K"	36.948606
"1565641"	441.132106	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+K-2H"	36.948606
"950244"	449.181694	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-H+HCOOH"	44.998194
"369550"	853.365201	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+HCOOH-H"	44.998201
"351247"	867.380851	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+Hac-H"	59.013851
"1501172"	463.197351	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Hac-H"	59.013851
"965435"	471.163651	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-H+NaCOOH"	66.980151
"121998"	439.152902	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+2Cl"	69.938804
"558278"	641.244652	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+2Cl"	69.938804
"1033277"	237.061152	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2Cl"	69.938804
"1254318"	483.102385	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Br"	78.918885
"1317858"	485.158372	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Cl+HCOOH"	80.974872
"1333171"	507.140329	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Cl+NaCOOH"	102.956829
"926300"	517.169086	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M-H+CF3COOH"	112.985586
"1302759"	553.145764	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Cl+CF3COOH"	148.962264
"1381658"	369.170824	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H-2H2O"	-35.012676
"1398386"	387.1808	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H-H2O"	-17.0027
"297985"	809.374276	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+H"	1.007276
"686882"	1213.557776	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+H"	1.007276
"1365784"	405.190776	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H"	1.007276
"134298"	405.190776	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+2H"	2.014552
"572037"	607.282526	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+2H"	2.014552
"1044119"	203.099026	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2H"	2.014552
"206554"	270.462942666667	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+3H"	3.021828
"647207"	405.190776	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+3H"	3.021828
"1167520"	135.735109333333	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+3H"	3.021828
"427877"	826.400823	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+NH4"	18.033823
"789965"	1230.584323	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+NH4"	18.033823
"1685931"	422.217323	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+NH4"	18.033823
"335305"	413.7040495	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+H+NH4"	19.041099
"725901"	615.7957995	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+H+NH4"	19.041099
"1481547"	211.6122995	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H+NH4"	19.041099
"406791"	831.356218	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+Na"	22.989218
"768397"	1235.539718	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+Na"	22.989218
"1615886"	427.172718	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Na"	22.989218
"328110"	416.181747	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+H+Na"	23.996494
"722355"	618.273497	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+H+Na"	23.996494
"1469979"	214.089997	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H+Na"	23.996494
"1065413"	143.062423333333	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2H+Na"	25.00377
"1269276"	437.216986	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+CH3OH+H"	33.033486
"390039"	847.330158	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+K"	38.963158
"749939"	1251.513658	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+K"	38.963158
"1554914"	443.146658	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+K"	38.963158
"310997"	424.168717	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+H+K"	39.970434
"705240"	626.260467	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+H+K"	39.970434
"1455411"	222.076967	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H+K"	39.970434
"245110"	850.400826	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+ACN+H"	42.033826
"1218915"	446.217326	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+ACN+H"	42.033826
"1201703"	223.612301	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+ACN+2H"	43.041102
"196762"	853.33816	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+2Na-H"	44.97116
"630248"	1257.52166	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+2Na-H"	44.97116
"1133267"	449.15466	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2Na-H"	44.97116
"179110"	427.172718	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+2Na"	45.978436
"618669"	629.264468	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+2Na"	45.978436
"1121810"	225.080968	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2Na"	45.978436
"1405699"	150.389737333333	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H+2Na"	46.985712
"1435262"	451.196246	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H+HCOOH"	47.012746
"227145"	432.20574	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+3H2O+2H"	56.04448
"1521411"	465.24829	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+IsoProp+H"	61.06479
"420368"	435.159688	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+Na+K"	61.952376
"783555"	637.251438	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+Na+K"	61.952376
"1680613"	233.067938	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Na+K"	61.952376
"262028"	872.382768	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+ACN+Na"	64.015768
"1233643"	468.199268	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+ACN+Na"	64.015768
"1723624"	468.222793	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+NH4+HCOOH"	64.039293
"1186790"	157.717051333333	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+3Na"	68.967654
"1656683"	473.178188	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Na+HCOOH"	68.994688
"166824"	885.28604	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+2K-H"	76.91904
"611854"	1289.46954	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+2K-H"	76.91904
"1097459"	481.10254	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2K-H"	76.91904
"154277"	443.146658	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"2M+2K"	77.926316
"594929"	645.238408	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"3M+2K"	77.926316
"1080536"	241.054908	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2K"	77.926316
"1114477"	483.117092	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2K+H"	78.933592
"1346850"	483.204707	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+DMSO+H"	79.021207
"1014285"	487.243876	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2ACN+H"	83.060376
"1528037"	488.237508	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+IsoProp+Na+H"	84.054008
"994484"	244.125576	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+2ACN+2H"	84.067652
"1594457"	489.152128	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+K+HCOOH"	84.968628
"1416837"	519.183638	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+H+CF3COOH"	115.000138
"1152591"	264.638851	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+3ACN+2H"	125.094202
"1703236"	536.210185	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+NH4+CF3COOH"	132.026685
"1637794"	541.16558	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+Na+CF3COOH"	136.98208
"1577825"	557.13952	"C09117"	"Isodonal"	"C22H28O7"	"404.1835"	"M+K+CF3COOH"	152.95602
"808189"	302.2246	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M"	0
"988898"	283.20621	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"76532"	200.475790666667	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"517188"	301.217324	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"893530"	99.7342573333333	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"13562"	301.217324	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"453850"	452.329624	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"830921"	150.105024	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"90191"	603.441924	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"529023"	905.666524	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"908282"	301.217324	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"48441"	620.468471	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"489095"	922.693071	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"866897"	318.243871	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"38077"	625.423866	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"482019"	927.648466	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"857633"	323.199266	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1632885"	323.199266	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"105522"	319.205663	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"541072"	470.317963	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"938232"	168.093363	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"279342"	639.418602	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"672857"	941.643202	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1282344"	337.194002	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"24904"	641.397806	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"465557"	943.622406	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"844454"	339.173206	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1563567"	339.173206	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"951448"	347.222794	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"364195"	649.447401	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"352453"	663.463051	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1496912"	361.238451	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"967732"	369.204751	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"121015"	337.194002	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"558388"	488.306302	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1033387"	186.081702	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1252238"	381.143485	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1318696"	383.199472	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1332185"	405.181429	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"926409"	415.210186	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1303233"	451.186864	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1381279"	267.211924	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1397560"	285.2219	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"297853"	605.456476	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"686263"	907.681076	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1365407"	303.231876	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"139876"	303.231876	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"577249"	454.344176	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1045323"	152.119576	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"209943"	202.490342666667	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"650598"	303.231876	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1166536"	101.748809333333	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"427987"	622.483023	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"788982"	924.707623	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1686041"	320.258423	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"335415"	311.7451495	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"726740"	462.8574495	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1486033"	160.6328495	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"404716"	627.438418	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"767535"	929.663018	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1615996"	325.213818	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"327856"	314.222847	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"721738"	465.335147	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1472276"	163.110547	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1065402"	109.076123333333	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1267200"	335.258086	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"391000"	643.412358	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"748956"	945.636958	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1554296"	341.187758	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"311471"	322.209817	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"703892"	473.322117	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1457710"	171.097517	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"247408"	646.483026	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1219023"	344.258426	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1199992"	172.632851	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"193592"	649.42036	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"628576"	951.64496	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1133135"	347.19576	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"175939"	325.213818	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"618415"	476.326118	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1121920"	174.101518	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1404351"	116.403437333333	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1430262"	349.237346	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"227255"	330.24684	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1521885"	363.28939	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"420114"	333.200788	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"784515"	484.313088	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1680723"	182.088488	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"262138"	668.464968	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1233753"	366.240368	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1721546"	366.263893	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1185807"	123.730751333333	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1656793"	371.219288	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"165841"	681.36824	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"610871"	983.59284	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1095382"	379.14364	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"152198"	341.187758	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"592852"	492.300058	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1077367"	190.075458	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1112401"	381.158192	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1349147"	381.245807	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1016582"	385.284976	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1531427"	386.278608	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"998968"	193.146126	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1593473"	387.193228	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1419133"	417.224738	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1154887"	213.659401	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1702253"	434.251285	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1636811"	439.20668	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1577935"	455.18062	"C09118"	"Isopimaric acid"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"808299"	314.1882	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M"	0
"987303"	295.16981	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"74453"	208.451524	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"515109"	313.180924	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"894000"	103.722124	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"11481"	313.180924	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"453229"	470.275024	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"828841"	156.086824	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"88835"	627.369124	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"527301"	941.557324	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"909969"	313.180924	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"59479"	644.395671	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"501593"	958.583871	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"873565"	330.207471	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"34906"	649.351066	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"482125"	963.539266	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"856645"	335.162866	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1628371"	335.162866	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"108675"	331.169263	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"547016"	488.263363	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"941505"	174.075163	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"280790"	663.345802	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"673941"	977.534002	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1283183"	349.157602	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"25013"	665.325006	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"466759"	979.513206	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"841282"	351.136806	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1560397"	351.136806	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"949372"	359.186394	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"367585"	673.374601	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"351470"	687.390251	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1500302"	373.202051	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"970028"	381.168351	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"122949"	349.157602	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"560685"	506.251702	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1033133"	192.063502	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1254903"	393.107085	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1316618"	395.163072	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1333755"	417.145029	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"925912"	427.173786	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1301889"	463.150464	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1379321"	279.175524	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1396818"	297.1855	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"297598"	629.383676	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"687467"	943.571876	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1364545"	315.195476	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"138164"	315.195476	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"576630"	472.289576	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1046526"	158.101376	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"214427"	210.466076	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"651802"	315.195476	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1166646"	105.736676	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"432107"	646.410223	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"790915"	960.598423	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1683964"	332.222023	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"338804"	323.7087495	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"729037"	480.8028495	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1488329"	166.6146495	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"405554"	651.365618	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"765459"	965.553818	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1616106"	337.177418	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"329188"	326.186447	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"721118"	483.280547	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1471293"	169.092347	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1066484"	113.06399	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1266217"	347.221686	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"391231"	667.339558	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"749066"	981.527758	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1554896"	353.151358	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"312674"	334.173417	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"705097"	491.267517	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1455634"	177.079317	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"246424"	670.410226	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1220225"	356.222026	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1201196"	178.614651	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"190786"	673.34756	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"629371"	987.53576	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1132394"	359.15936	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"176049"	337.177418	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"618889"	494.271518	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1120937"	180.083318	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1402274"	120.391304	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1430171"	361.200946	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"227365"	342.21044	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1522605"	375.25299	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"420953"	345.164388	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"784505"	502.258488	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1679741"	188.070288	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"261155"	692.392168	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1233863"	378.203968	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1722749"	378.227493	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1185917"	127.718618	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1656903"	383.182888	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"167044"	705.29544	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"611710"	1019.48364	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1097680"	391.10724	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"156442"	353.151358	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"596243"	510.245458	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1082942"	196.057258	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1113843"	393.121792	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1344883"	393.209407	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1016693"	397.248576	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1530445"	398.242208	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"1001266"	199.127926	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1595770"	399.156828	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1416326"	429.188338	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1153904"	219.641201	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1703455"	446.214885	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1635219"	451.17028	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1578045"	467.14422	"C09119"	"Jatrophatrione"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"808409"	312.1725	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M"	0
"989236"	293.15411	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-H2O-H"	-19.01839
"75656"	207.107724	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M-3H"	-3.021828
"518177"	311.165224	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M-3H"	-3.021828
"893989"	103.050224	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-3H"	-3.021828
"11591"	311.165224	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M-2H"	-2.014552
"453218"	467.251474	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M-2H"	-2.014552
"825671"	155.078974	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-2H"	-2.014552
"90038"	623.337724	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M-H"	-1.007276
"528504"	935.510224	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M-H"	-1.007276
"909838"	311.165224	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-H"	-1.007276
"59589"	640.364271	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M-2H+NH4"	16.019271
"500975"	952.536771	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M-2H+NH4"	16.019271
"870395"	328.191771	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-2H+NH4"	16.019271
"35016"	645.319666	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M-2H+Na"	20.974666
"484421"	957.492166	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M-2H+Na"	20.974666
"853475"	333.147166	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-2H+Na"	20.974666
"1628481"	333.147166	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Na-2H"	20.974666
"109476"	329.153563	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M-H+Cl"	33.962126
"544207"	485.239813	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M-H+Cl"	33.962126
"938452"	173.067313	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-H+Cl"	33.962126
"279198"	659.314402	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+Cl"	34.969402
"670890"	971.486902	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+Cl"	34.969402
"1281471"	347.141902	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Cl"	34.969402
"20021"	661.293606	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M-2H+K"	36.948606
"462498"	973.466106	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M-2H+K"	36.948606
"843580"	349.121106	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-2H+K"	36.948606
"1564881"	349.121106	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+K-2H"	36.948606
"949483"	357.170694	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-H+HCOOH"	44.998194
"370979"	669.343201	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+HCOOH-H"	44.998201
"352674"	683.358851	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+Hac-H"	59.013851
"1500411"	371.186351	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Hac-H"	59.013851
"966859"	379.152651	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-H+NaCOOH"	66.980151
"120141"	347.141902	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+2Cl"	69.938804
"561162"	503.228152	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+2Cl"	69.938804
"1031053"	191.055652	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2Cl"	69.938804
"1253186"	391.091385	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Br"	78.918885
"1316364"	393.147372	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Cl+HCOOH"	80.974872
"1335526"	415.129329	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Cl+NaCOOH"	102.956829
"926752"	425.158086	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M-H+CF3COOH"	112.985586
"1303456"	461.134764	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Cl+CF3COOH"	148.962264
"1379430"	277.159824	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H-2H2O"	-35.012676
"1397293"	295.1698	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H-H2O"	-17.0027
"298388"	625.352276	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+H"	1.007276
"683567"	937.524776	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+H"	1.007276
"1365749"	313.179776	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H"	1.007276
"139731"	313.179776	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+2H"	2.014552
"575645"	469.266026	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+2H"	2.014552
"1043351"	157.093526	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2H"	2.014552
"214535"	209.122276	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+3H"	3.021828
"653003"	313.179776	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+3H"	3.021828
"1167849"	105.064776	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+3H"	3.021828
"428935"	642.378823	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+NH4"	18.033823
"793212"	954.551323	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+NH4"	18.033823
"1687354"	330.206323	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+NH4"	18.033823
"342194"	321.6930495	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+H+NH4"	19.041099
"729147"	477.7792995	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+H+NH4"	19.041099
"1478593"	165.6067995	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H+NH4"	19.041099
"399461"	647.334218	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+Na"	22.989218
"768114"	959.506718	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+Na"	22.989218
"1615121"	335.161718	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Na"	22.989218
"324065"	324.170747	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+H+Na"	23.996494
"718673"	480.256997	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+H+Na"	23.996494
"1476142"	168.084497	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H+Na"	23.996494
"1068381"	112.39209	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2H+Na"	25.00377
"1271551"	345.205986	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+CH3OH+H"	33.033486
"390369"	663.308158	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+K"	38.963158
"750269"	975.480658	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+K"	38.963158
"1555243"	351.135658	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+K"	38.963158
"306224"	332.157717	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+H+K"	39.970434
"704114"	488.243967	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+H+K"	39.970434
"1457568"	176.071467	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H+K"	39.970434
"245442"	666.378826	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+ACN+H"	42.033826
"1218150"	354.206326	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+ACN+H"	42.033826
"1195230"	177.606801	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+ACN+2H"	43.041102
"189191"	669.31616	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+2Na-H"	44.97116
"631551"	981.48866	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+2Na-H"	44.97116
"1133234"	357.14366	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2Na-H"	44.97116
"178346"	335.161718	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+2Na"	45.978436
"618999"	491.247968	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+2Na"	45.978436
"1121047"	179.075468	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2Na"	45.978436
"1403477"	119.719404	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H+2Na"	46.985712
"1430729"	359.185246	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H+HCOOH"	47.012746
"227475"	340.19474	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+3H2O+2H"	56.04448
"1522714"	373.23729	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+IsoProp+H"	61.06479
"419970"	343.148688	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+Na+K"	61.952376
"784129"	499.234938	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+Na+K"	61.952376
"1680457"	187.062438	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Na+K"	61.952376
"261264"	688.360768	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+ACN+Na"	64.015768
"1233972"	376.188268	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+ACN+Na"	64.015768
"1722494"	376.211793	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+NH4+HCOOH"	64.039293
"1186027"	127.046718	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+3Na"	68.967654
"1657013"	381.167188	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Na+HCOOH"	68.994688
"166061"	701.26404	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+2K-H"	76.91904
"610727"	1013.43654	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+2K-H"	76.91904
"1095603"	389.09154	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2K-H"	76.91904
"155699"	351.135658	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"2M+2K"	77.926316
"594166"	507.221908	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"3M+2K"	77.926316
"1082688"	195.049408	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2K"	77.926316
"1110794"	391.106092	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2K+H"	78.933592
"1343898"	391.193707	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+DMSO+H"	79.021207
"1018989"	395.232876	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2ACN+H"	83.060376
"1531648"	396.226508	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+IsoProp+Na+H"	84.054008
"999189"	198.120076	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+2ACN+2H"	84.067652
"1594787"	397.141128	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+K+HCOOH"	84.968628
"1416436"	427.172638	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+H+CF3COOH"	115.000138
"1154014"	218.633351	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+3ACN+2H"	125.094202
"1703565"	444.199185	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+NH4+CF3COOH"	132.026685
"1635937"	449.15458	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+Na+CF3COOH"	136.98208
"1578155"	465.12852	"C09120"	"Jatrophone"	"C20H24O3"	"312.1725"	"M+K+CF3COOH"	152.95602
"808519"	448.2097	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M"	0
"989346"	429.19131	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-H2O-H"	-19.01839
"75766"	297.799190666667	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M-3H"	-3.021828
"518371"	447.202424	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M-3H"	-3.021828
"894220"	148.395957333333	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-3H"	-3.021828
"15227"	447.202424	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M-2H"	-2.014552
"454787"	671.307274	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M-2H"	-2.014552
"831613"	223.097574	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-2H"	-2.014552
"84680"	895.412124	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M-H"	-1.007276
"528614"	1343.621824	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M-H"	-1.007276
"907512"	447.202424	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-H"	-1.007276
"55324"	912.438671	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M-2H+NH4"	16.019271
"499258"	1360.648371	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M-2H+NH4"	16.019271
"873780"	464.228971	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-2H+NH4"	16.019271
"41682"	917.394066	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M-2H+Na"	20.974666
"479063"	1365.603766	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M-2H+Na"	20.974666
"853583"	469.184366	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-2H+Na"	20.974666
"1628591"	469.184366	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Na-2H"	20.974666
"106579"	465.190763	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M-H+Cl"	33.962126
"547235"	689.295613	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M-H+Cl"	33.962126
"938195"	241.085913	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-H+Cl"	33.962126
"278943"	931.388802	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+Cl"	34.969402
"671000"	1379.598502	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+Cl"	34.969402
"1281581"	483.179102	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Cl"	34.969402
"19767"	933.368006	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M-2H+K"	36.948606
"462608"	1381.577706	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M-2H+K"	36.948606
"843690"	485.158306	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-2H+K"	36.948606
"1566087"	485.158306	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+K-2H"	36.948606
"952873"	493.207894	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-H+HCOOH"	44.998194
"367809"	941.417601	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+HCOOH-H"	44.998201
"352781"	955.433251	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+Hac-H"	59.013851
"1499427"	507.223551	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Hac-H"	59.013851
"965875"	515.189851	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-H+NaCOOH"	66.980151
"119158"	483.179102	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+2Cl"	69.938804
"559812"	707.283952	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+2Cl"	69.938804
"1029705"	259.074252	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2Cl"	69.938804
"1254754"	527.128585	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Br"	78.918885
"1316474"	529.184572	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Cl+HCOOH"	80.974872
"1334703"	551.166529	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Cl+NaCOOH"	102.956829
"922119"	561.195286	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M-H+CF3COOH"	112.985586
"1301378"	597.171964	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Cl+CF3COOH"	148.962264
"1375167"	413.197024	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H-2H2O"	-35.012676
"1393756"	431.207	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H-H2O"	-17.0027
"290159"	897.426676	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+H"	1.007276
"683675"	1345.636376	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+H"	1.007276
"1359659"	449.216976	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H"	1.007276
"131820"	449.216976	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+2H"	2.014552
"572475"	673.321826	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+2H"	2.014552
"1042368"	225.112126	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2H"	2.014552
"213550"	299.813742666667	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+3H"	3.021828
"653110"	449.216976	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+3H"	3.021828
"1167957"	150.410509333333	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+3H"	3.021828
"427952"	914.453223	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+NH4"	18.033823
"795508"	1362.662923	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+NH4"	18.033823
"1686371"	466.243523	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+NH4"	18.033823
"342304"	457.7302495	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+H+NH4"	19.041099
"730350"	681.8350995	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+H+NH4"	19.041099
"1478338"	233.6253995	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H+NH4"	19.041099
"397385"	919.408618	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+Na"	22.989218
"769075"	1367.618318	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+Na"	22.989218
"1617662"	471.198918	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Na"	22.989218
"324175"	460.207947	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+H+Na"	23.996494
"718783"	684.312797	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+H+Na"	23.996494
"1475522"	236.103097	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H+Na"	23.996494
"1068483"	157.737823333333	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2H+Na"	25.00377
"1271418"	481.243186	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+CH3OH+H"	33.033486
"390115"	935.382558	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+K"	38.963158
"750379"	1383.592258	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+K"	38.963158
"1554623"	487.172858	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+K"	38.963158
"309615"	468.194917	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+H+K"	39.970434
"702037"	692.299767	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+H+K"	39.970434
"1452578"	244.090067	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H+K"	39.970434
"242272"	938.453226	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+ACN+H"	42.033826
"1214978"	490.243526	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+ACN+H"	42.033826
"1197771"	245.625401	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+ACN+2H"	43.041102
"190031"	941.39056	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+2Na-H"	44.97116
"631661"	1389.60026	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+2Na-H"	44.97116
"1132493"	493.18086	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2Na-H"	44.97116
"178092"	471.198918	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+2Na"	45.978436
"619473"	695.303768	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+2Na"	45.978436
"1123343"	247.094068	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2Na"	45.978436
"1404680"	165.065137333333	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H+2Na"	46.985712
"1430267"	495.222446	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H+HCOOH"	47.012746
"228678"	476.23194	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+3H2O+2H"	56.04448
"1521851"	509.27449	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+IsoProp+H"	61.06479
"421173"	479.185888	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+Na+K"	61.952376
"784360"	703.290738	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+Na+K"	61.952376
"1679594"	255.081038	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Na+K"	61.952376
"261374"	960.435168	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+ACN+Na"	64.015768
"1235175"	512.225468	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+ACN+Na"	64.015768
"1722967"	512.248993	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+NH4+HCOOH"	64.039293
"1188322"	172.392451333333	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+3Na"	68.967654
"1659309"	517.204388	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Na+HCOOH"	68.994688
"166171"	973.33844	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+2K-H"	76.91904
"611201"	1421.54814	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+2K-H"	76.91904
"1097899"	525.12874	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2K-H"	76.91904
"154716"	487.172858	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"2M+2K"	77.926316
"596342"	711.277708	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"3M+2K"	77.926316
"1083041"	263.068008	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2K"	77.926316
"1113942"	527.143292	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2K+H"	78.933592
"1345102"	527.230907	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+DMSO+H"	79.021207
"1019099"	531.270076	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2ACN+H"	83.060376
"1537225"	532.263708	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+IsoProp+Na+H"	84.054008
"1002579"	266.138676	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+2ACN+2H"	84.067652
"1600364"	533.178328	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+K+HCOOH"	84.968628
"1421650"	563.209838	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+H+CF3COOH"	115.000138
"1161778"	286.651951	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+3ACN+2H"	125.094202
"1708049"	580.236385	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+NH4+CF3COOH"	132.026685
"1638234"	585.19178	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+Na+CF3COOH"	136.98208
"1578265"	601.16572	"C09121"	"Jodrellin A"	"C24H32O8"	"448.2097"	"M+K+CF3COOH"	152.95602
"808629"	722.2575	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M"	0
"989673"	703.23911	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-H2O-H"	-19.01839
"78531"	480.497724	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M-3H"	-3.021828
"518282"	721.250224	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M-3H"	-3.021828
"895478"	239.745224	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-3H"	-3.021828
"15681"	721.250224	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M-2H"	-2.014552
"453560"	1082.378974	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M-2H"	-2.014552
"828080"	360.121474	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-2H"	-2.014552
"84790"	1443.507724	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M-H"	-1.007276
"519368"	2165.765224	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M-H"	-1.007276
"906527"	721.250224	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-H"	-1.007276
"55434"	1460.534271	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M-2H+NH4"	16.019271
"499368"	2182.791771	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M-2H+NH4"	16.019271
"876077"	738.276771	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-2H+NH4"	16.019271
"40699"	1465.489666	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M-2H+Na"	20.974666
"474065"	2187.747166	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M-2H+Na"	20.974666
"859160"	743.232166	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-2H+Na"	20.974666
"1628701"	743.232166	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Na-2H"	20.974666
"104135"	739.238563	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M-H+Cl"	33.962126
"547709"	1100.367313	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M-H+Cl"	33.962126
"936118"	378.109813	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-H+Cl"	33.962126
"280510"	1479.484402	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+Cl"	34.969402
"672933"	2201.741902	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+Cl"	34.969402
"1283514"	757.226902	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Cl"	34.969402
"27532"	1481.463606	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M-2H+K"	36.948606
"462718"	2203.721106	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M-2H+K"	36.948606
"844896"	759.206106	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-2H+K"	36.948606
"1569479"	759.206106	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+K-2H"	36.948606
"952984"	767.255694	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-H+HCOOH"	44.998194
"375937"	1489.513201	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+HCOOH-H"	44.998201
"351070"	1503.528851	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+Hac-H"	59.013851
"1500629"	781.271351	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Hac-H"	59.013851
"963798"	789.237651	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-H+NaCOOH"	66.980151
"119268"	757.226902	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+2Cl"	69.938804
"561016"	1118.355652	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+2Cl"	69.938804
"1026900"	396.098152	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2Cl"	69.938804
"1254135"	801.176385	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Br"	78.918885
"1316948"	803.232372	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Cl+HCOOH"	80.974872
"1334085"	825.214329	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Cl+NaCOOH"	102.956829
"926242"	835.243086	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M-H+CF3COOH"	112.985586
"1303314"	871.219764	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Cl+CF3COOH"	148.962264
"1378558"	687.244824	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H-2H2O"	-35.012676
"1396054"	705.2548	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H-H2O"	-17.0027
"295736"	1445.522276	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+H"	1.007276
"683785"	2167.779776	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+H"	1.007276
"1360133"	723.264776	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H"	1.007276
"131930"	723.264776	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+2H"	2.014552
"574772"	1084.393526	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+2H"	2.014552
"1044665"	362.136026	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2H"	2.014552
"213660"	482.512276	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+3H"	3.021828
"654314"	723.264776	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+3H"	3.021828
"1170254"	241.759776	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+3H"	3.021828
"428062"	1462.548823	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+NH4"	18.033823
"794525"	2184.806323	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+NH4"	18.033823
"1682472"	740.291323	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+NH4"	18.033823
"338041"	731.7780495	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+H+NH4"	19.041099
"726085"	1092.9067995	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+H+NH4"	19.041099
"1478813"	370.6492995	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H+NH4"	19.041099
"398586"	1467.504218	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+Na"	22.989218
"768334"	2189.761718	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+Na"	22.989218
"1617936"	745.246718	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Na"	22.989218
"329720"	734.255747	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+H+Na"	23.996494
"722221"	1095.384497	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+H+Na"	23.996494
"1476001"	373.126997	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H+Na"	23.996494
"1067299"	249.08709	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2H+Na"	25.00377
"1271855"	755.290986	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+CH3OH+H"	33.033486
"389495"	1483.478158	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+K"	38.963158
"750489"	2205.735658	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+K"	38.963158
"1549268"	761.220658	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+K"	38.963158
"303164"	742.242717	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+H+K"	39.970434
"697773"	1103.371467	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+H+K"	39.970434
"1451591"	381.113967	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H+K"	39.970434
"241288"	1486.548826	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+ACN+H"	42.033826
"1213994"	764.291326	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+ACN+H"	42.033826
"1197880"	382.649301	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+ACN+2H"	43.041102
"189534"	1489.48616	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+2Na-H"	44.97116
"631771"	2211.74366	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+2Na-H"	44.97116
"1134182"	767.22866	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2Na-H"	44.97116
"177473"	745.246718	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+2Na"	45.978436
"618489"	1106.375468	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+2Na"	45.978436
"1123453"	384.117968	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2Na"	45.978436
"1404790"	256.414404	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H+2Na"	46.985712
"1431436"	769.270246	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H+HCOOH"	47.012746
"228788"	750.27974	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+3H2O+2H"	56.04448
"1521961"	783.32229	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+IsoProp+H"	61.06479
"421284"	753.233688	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+Na+K"	61.952376
"783740"	1114.362438	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+Na+K"	61.952376
"1678974"	392.104938	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Na+K"	61.952376
"261484"	1508.530768	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+ACN+Na"	64.015768
"1236378"	786.273268	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+ACN+Na"	64.015768
"1724171"	786.296793	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+NH4+HCOOH"	64.039293
"1188432"	263.741718	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+3Na"	68.967654
"1658326"	791.252188	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Na+HCOOH"	68.994688
"167373"	1521.43404	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+2K-H"	76.91904
"611920"	2243.69154	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+2K-H"	76.91904
"1098009"	799.17654	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2K-H"	76.91904
"154826"	761.220658	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"2M+2K"	77.926316
"596213"	1122.349408	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"3M+2K"	77.926316
"1083151"	400.091908	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2K"	77.926316
"1114173"	801.191092	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2K+H"	78.933592
"1345213"	801.278707	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+DMSO+H"	79.021207
"1019209"	805.317876	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2ACN+H"	83.060376
"1534055"	806.311508	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+IsoProp+Na+H"	84.054008
"999408"	403.162576	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+2ACN+2H"	84.067652
"1600474"	807.226128	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+K+HCOOH"	84.968628
"1421760"	837.257638	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+H+CF3COOH"	115.000138
"1153141"	423.675851	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+3ACN+2H"	125.094202
"1702692"	854.284185	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+NH4+CF3COOH"	132.026685
"1638344"	859.23958	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+Na+CF3COOH"	136.98208
"1578375"	875.21352	"C09122"	"Kansuinine B"	"C38H42O14"	"722.2575"	"M+K+CF3COOH"	152.95602
"808739"	430.1992	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M"	0
"987743"	411.18081	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-H2O-H"	-19.01839
"77325"	285.792190666667	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M-3H"	-3.021828
"518474"	429.191924	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M-3H"	-3.021828
"895182"	142.392457333333	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-3H"	-3.021828
"15546"	429.191924	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M-2H"	-2.014552
"451483"	644.291524	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M-2H"	-2.014552
"828190"	214.092324	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-2H"	-2.014552
"84900"	859.391124	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M-H"	-1.007276
"519356"	1289.590324	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M-H"	-1.007276
"903357"	429.191924	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-H"	-1.007276
"52264"	876.417671	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M-2H+NH4"	16.019271
"492918"	1306.616871	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M-2H+NH4"	16.019271
"872907"	446.218471	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-2H+NH4"	16.019271
"38622"	881.373066	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M-2H+Na"	20.974666
"475995"	1311.572266	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M-2H+Na"	20.974666
"859270"	451.173866	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-2H+Na"	20.974666
"1627710"	451.173866	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Na-2H"	20.974666
"106068"	447.180263	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M-H+Cl"	33.962126
"548912"	662.279863	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M-H+Cl"	33.962126
"935864"	232.080663	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-H+Cl"	33.962126
"280620"	895.367802	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+Cl"	34.969402
"672679"	1325.567002	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+Cl"	34.969402
"1285811"	465.168602	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Cl"	34.969402
"25455"	897.347006	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M-2H+K"	36.948606
"462828"	1327.546206	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M-2H+K"	36.948606
"843911"	467.147806	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-2H+K"	36.948606
"1565215"	467.147806	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+K-2H"	36.948606
"949814"	475.197394	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-H+HCOOH"	44.998194
"374589"	905.396601	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+HCOOH-H"	44.998201
"351910"	919.412251	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+Hac-H"	59.013851
"1498917"	489.213051	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Hac-H"	59.013851
"962816"	497.179351	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-H+NaCOOH"	66.980151
"120472"	465.168602	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+2Cl"	69.938804
"557846"	680.268202	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+2Cl"	69.938804
"1027739"	250.069002	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2Cl"	69.938804
"1253152"	509.118085	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Br"	78.918885
"1316694"	511.174072	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Cl+HCOOH"	80.974872
"1334922"	533.156029	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Cl+NaCOOH"	102.956829
"926593"	543.184786	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M-H+CF3COOH"	112.985586
"1302328"	579.161464	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Cl+CF3COOH"	148.962264
"1375387"	395.186524	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H-2H2O"	-35.012676
"1395071"	413.1965	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H-H2O"	-17.0027
"293662"	861.405676	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+H"	1.007276
"686082"	1291.604876	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+H"	1.007276
"1360243"	431.206476	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H"	1.007276
"132040"	431.206476	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+2H"	2.014552
"575973"	646.306076	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+2H"	2.014552
"1042589"	216.106876	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2H"	2.014552
"213771"	287.806742666667	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+3H"	3.021828
"656611"	431.206476	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+3H"	3.021828
"1168177"	144.407009333333	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+3H"	3.021828
"431450"	878.432223	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+NH4"	18.033823
"795727"	1308.631423	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+NH4"	18.033823
"1684041"	448.233023	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+NH4"	18.033823
"338152"	439.7197495	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+H+NH4"	19.041099
"726195"	654.8193495	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+H+NH4"	19.041099
"1480017"	224.6201495	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H+NH4"	19.041099
"395780"	883.387618	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+Na"	22.989218
"765164"	1313.586818	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+Na"	22.989218
"1617883"	453.188418	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Na"	22.989218
"329014"	442.197447	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+H+Na"	23.996494
"722654"	657.297047	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+H+Na"	23.996494
"1475743"	227.097847	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H+Na"	23.996494
"1066072"	151.734323333333	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2H+Na"	25.00377
"1271032"	463.232686	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+CH3OH+H"	33.033486
"389606"	899.361558	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+K"	38.963158
"751329"	1329.560758	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+K"	38.963158
"1551566"	469.162358	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+K"	38.963158
"302181"	450.184417	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+H+K"	39.970434
"696058"	665.284017	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+H+K"	39.970434
"1451702"	235.084817	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H+K"	39.970434
"244676"	902.432226	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+ACN+H"	42.033826
"1214106"	472.233026	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+ACN+H"	42.033826
"1196529"	236.620151	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+ACN+2H"	43.041102
"190860"	905.36956	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+2Na-H"	44.97116
"632244"	1335.56876	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+2Na-H"	44.97116
"1134656"	475.17036	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2Na-H"	44.97116
"176487"	453.188418	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+2Na"	45.978436
"618963"	668.288018	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+2Na"	45.978436
"1123927"	238.088818	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2Na"	45.978436
"1404899"	159.061637333333	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H+2Na"	46.985712
"1430817"	477.211946	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H+HCOOH"	47.012746
"226711"	458.22144	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+3H2O+2H"	56.04448
"1521707"	491.26399	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+IsoProp+H"	61.06479
"420299"	461.175388	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+Na+K"	61.952376
"784579"	676.274988	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+Na+K"	61.952376
"1679450"	246.075788	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Na+K"	61.952376
"263053"	924.414168	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+ACN+Na"	64.015768
"1237584"	494.214968	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+ACN+Na"	64.015768
"1727198"	494.238493	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+NH4+HCOOH"	64.039293
"1191460"	166.388951333333	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+3Na"	68.967654
"1663540"	499.193888	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Na+HCOOH"	68.994688
"168578"	937.31744	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+2K-H"	76.91904
"612031"	1367.51664	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+2K-H"	76.91904
"1099665"	507.11824	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2K-H"	76.91904
"156517"	469.162358	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"2M+2K"	77.926316
"596689"	684.261958	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"3M+2K"	77.926316
"1084187"	254.062758	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2K"	77.926316
"1114405"	509.132792	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2K+H"	78.933592
"1348603"	509.220407	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+DMSO+H"	79.021207
"1021022"	513.259576	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2ACN+H"	83.060376
"1533072"	514.253208	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+IsoProp+Na+H"	84.054008
"1003892"	257.133426	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+2ACN+2H"	84.067652
"1601678"	515.167828	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+K+HCOOH"	84.968628
"1422963"	545.199338	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+H+CF3COOH"	115.000138
"1153251"	277.646701	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+3ACN+2H"	125.094202
"1704989"	562.225885	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+NH4+CF3COOH"	132.026685
"1638454"	567.18128	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+Na+CF3COOH"	136.98208
"1578485"	583.15522	"C09123"	"Athamantin"	"C24H30O7"	"430.1992"	"M+K+CF3COOH"	152.95602
"808849"	304.2402	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M"	0
"984573"	285.22181	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"72815"	201.819524	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"517890"	303.232924	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"893458"	100.406124	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"12762"	303.232924	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"450499"	455.353024	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"830487"	151.112824	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"81730"	607.473124	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"528944"	911.713324	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"907843"	303.232924	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"58935"	624.499671	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"493028"	928.739871	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"870830"	320.259471	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"35452"	629.455066	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"472826"	933.695266	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"858287"	325.214866	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1625634"	325.214866	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"107638"	321.221263	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"549028"	473.341363	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"941080"	169.101163	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"280366"	643.449802	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"672789"	947.690002	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1284464"	339.209602	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"26652"	645.429006	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"459658"	949.669206	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"842928"	341.188806	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1564229"	341.188806	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"951018"	349.238394	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"371418"	653.478601	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"350927"	667.494251	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1501941"	363.254051	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"963290"	371.220351	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"117302"	339.209602	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"559779"	491.329702	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1032953"	187.089502	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1254358"	383.159085	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1318995"	385.215072	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1334304"	407.197029	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"926098"	417.225786	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1303289"	453.202464	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1375497"	269.227524	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1395181"	287.2375	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"290492"	609.487676	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"686192"	913.727876	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1363269"	305.247476	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"135430"	305.247476	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"576083"	457.367576	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1044884"	153.127376	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"217161"	203.834076	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"655628"	305.247476	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1171567"	102.420676	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"431560"	626.514223	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"793651"	930.754423	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1684151"	322.274023	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"333523"	313.7607495	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"727398"	465.8808495	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1484501"	161.6406495	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"395524"	631.469618	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"763087"	935.709818	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1617021"	327.229418	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"328638"	316.238447	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"721794"	468.358547	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1475855"	164.118347	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1066548"	109.74799	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1270413"	337.273686	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"390812"	647.443558	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"751442"	951.683758	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1550581"	343.203358	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"304476"	324.225417	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"696900"	476.345517	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1451813"	172.105317	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"244786"	650.514226	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1215309"	346.274026	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1195914"	173.640651	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"189879"	653.45156	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"630897"	957.69176	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1133308"	349.21136	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"173681"	327.229418	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"617616"	479.349518	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1119662"	175.109318	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1402094"	117.075304	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1430927"	351.252946	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"226821"	332.26244	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1523275"	365.30499	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"421136"	335.216388	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"781043"	487.336488	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1677737"	183.096288	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"260610"	672.496168	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1238421"	368.255968	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1726579"	368.279493	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1191569"	124.402618	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1661826"	373.234888	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"167594"	685.39944	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"611168"	989.63964	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1098234"	381.15924	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"156141"	343.203358	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"595700"	495.323458	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1083250"	191.083258	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1114399"	383.173792	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1346526"	383.261407	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1019429"	387.300576	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1538528"	388.294208	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"1004002"	194.153926	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1599599"	389.208828	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1421979"	419.240338	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1156641"	214.667201	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1701819"	436.266885	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1638564"	441.22228	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1578595"	457.19622	"C09124"	"2-Ketoepimanool"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"808959"	334.2144	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M"	0
"984683"	315.19601	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"77950"	221.802324	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"518356"	333.207124	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"895396"	110.397524	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"15552"	333.207124	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"451703"	500.314324	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"827316"	166.099924	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"85120"	667.421524	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"529054"	1001.635924	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"907953"	333.207124	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"59045"	684.448071	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"493138"	1018.662471	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"870940"	350.233671	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"41030"	689.403466	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"476217"	1023.617866	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"858397"	355.189066	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1625744"	355.189066	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"107019"	351.195463	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"549510"	518.302663	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"942179"	184.088263	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"280111"	703.398202	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"674971"	1037.612602	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1286764"	369.183802	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"29193"	705.377406	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"465235"	1039.591806	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"845225"	371.163006	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1566525"	371.163006	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"954774"	379.212594	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"374811"	713.427001	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"349944"	727.442651	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1497317"	393.228251	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"966317"	401.194551	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"120329"	369.183802	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"559159"	536.291002	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1030147"	202.076602	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1256975"	413.133285	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1319469"	415.189272	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1334049"	437.171229	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"926979"	447.199986	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1303849"	483.176664	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1375607"	299.201724	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1397358"	317.2117	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"293883"	669.436076	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"685209"	1003.650476	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1362650"	335.221676	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"133354"	335.221676	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"575101"	502.328876	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1043901"	168.114476	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"219867"	223.816876	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"658654"	335.221676	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1174957"	112.412076	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"431670"	686.462623	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"793760"	1020.677023	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1690093"	352.248223	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"336549"	343.7349495	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"727510"	510.8421495	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1484611"	176.6277495	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"397093"	691.418018	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"768544"	1025.632418	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1616644"	357.203618	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"327531"	346.212647	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"722149"	513.319847	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1476334"	179.105447	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1066658"	119.73939	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1271617"	367.247886	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"392462"	707.391958	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"751917"	1041.606358	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1553972"	373.177558	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"313098"	354.199617	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"703207"	521.306817	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1451924"	187.092417	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"246723"	710.462626	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1221617"	376.248226	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1196021"	188.627751	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"191080"	713.39996	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"630275"	1047.61436	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1132081"	379.18556	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"174156"	357.203618	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"616631"	524.310818	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1121595"	190.096418	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1404027"	127.066704	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1433953"	381.227146	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"221826"	362.23664	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1520467"	395.27919	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"419059"	365.190588	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"784069"	532.297788	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1678575"	198.083388	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"260720"	732.444568	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1238895"	398.230168	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1728026"	398.253693	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1193137"	134.394018	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1663030"	403.209088	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"168798"	745.34784	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"610189"	1079.56224	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1097979"	411.13344	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"154792"	373.177558	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"595082"	540.284758	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1082147"	206.070358	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1112444"	413.147992	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1346636"	413.235607	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1018444"	417.274776	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1536571"	418.268408	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"1000832"	209.141026	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1597522"	419.183028	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1419902"	449.214538	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1158938"	229.654301	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1699742"	466.241085	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1640861"	471.19648	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1578705"	487.17042	"C09125"	"Lathyrol"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"809069"	432.1056	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M"	0
"979326"	413.08721	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-H2O-H"	-19.01839
"70849"	287.063124	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M-3H"	-3.021828
"517944"	431.098324	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M-3H"	-3.021828
"892584"	143.027924	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-3H"	-3.021828
"10066"	431.098324	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M-2H"	-2.014552
"446346"	647.151124	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M-2H"	-2.014552
"825239"	215.045524	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-2H"	-2.014552
"81950"	863.203924	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M-H"	-1.007276
"520780"	1295.309524	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M-H"	-1.007276
"905875"	431.098324	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-H"	-1.007276
"55875"	880.230471	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M-2H+NH4"	16.019271
"489968"	1312.336071	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M-2H+NH4"	16.019271
"871050"	448.124871	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-2H+NH4"	16.019271
"34210"	885.185866	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M-2H+Na"	20.974666
"473047"	1317.291466	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M-2H+Na"	20.974666
"858507"	453.080266	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-2H+Na"	20.974666
"1621480"	453.080266	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Na-2H"	20.974666
"107129"	449.086663	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M-H+Cl"	33.962126
"548890"	665.139463	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M-H+Cl"	33.962126
"942163"	233.033863	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-H+Cl"	33.962126
"280585"	899.180602	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+Cl"	34.969402
"673734"	1331.286202	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+Cl"	34.969402
"1287365"	467.075002	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Cl"	34.969402
"29424"	901.159806	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M-2H+K"	36.948606
"465345"	1333.265406	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M-2H+K"	36.948606
"845334"	469.054206	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-2H+K"	36.948606
"1565542"	469.054206	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+K-2H"	36.948606
"955612"	477.103794	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-H+HCOOH"	44.998194
"374921"	909.209401	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+HCOOH-H"	44.998201
"351148"	923.225051	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+Hac-H"	59.013851
"1497063"	491.119451	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Hac-H"	59.013851
"968615"	499.085751	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-H+NaCOOH"	66.980151
"120439"	467.075002	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+2Cl"	69.938804
"558176"	683.127802	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+2Cl"	69.938804
"1030257"	251.022202	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2Cl"	69.938804
"1256814"	511.024485	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Br"	78.918885
"1318847"	513.080472	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Cl+HCOOH"	80.974872
"1334159"	535.062429	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Cl+NaCOOH"	102.956829
"926686"	545.091186	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M-H+CF3COOH"	112.985586
"1303638"	581.067864	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Cl+CF3COOH"	148.962264
"1382444"	397.092924	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H-2H2O"	-35.012676
"1396497"	415.1029	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H-H2O"	-17.0027
"297273"	865.218476	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+H"	1.007276
"685319"	1297.324076	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+H"	1.007276
"1362760"	433.112876	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H"	1.007276
"132371"	433.112876	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+2H"	2.014552
"573025"	649.165676	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+2H"	2.014552
"1042918"	217.060076	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2H"	2.014552
"219446"	289.077676	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+3H"	3.021828
"658764"	433.112876	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+3H"	3.021828
"1175067"	145.042476	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+3H"	3.021828
"431780"	882.245023	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+NH4"	18.033823
"788037"	1314.350623	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+NH4"	18.033823
"1688015"	450.139423	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+NH4"	18.033823
"336294"	441.6261495	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+H+NH4"	19.041099
"730173"	657.6789495	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+H+NH4"	19.041099
"1478155"	225.5733495	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H+NH4"	19.041099
"395744"	887.200418	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+Na"	22.989218
"767682"	1319.306018	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+Na"	22.989218
"1615781"	455.094818	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Na"	22.989218
"328005"	444.103847	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+H+Na"	23.996494
"721890"	660.156647	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+H+Na"	23.996494
"1476318"	228.051047	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H+Na"	23.996494
"1066403"	152.36979	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2H+Na"	25.00377
"1269175"	465.139086	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+CH3OH+H"	33.033486
"391761"	903.174358	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+K"	38.963158
"750568"	1335.279958	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+K"	38.963158
"1554445"	471.068758	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+K"	38.963158
"312965"	452.090817	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+H+K"	39.970434
"703682"	668.143617	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+H+K"	39.970434
"1450940"	236.038017	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H+K"	39.970434
"247927"	906.245026	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+ACN+H"	42.033826
"1221727"	474.139426	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+ACN+H"	42.033826
"1195766"	237.573351	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+ACN+2H"	43.041102
"191553"	909.18236	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+2Na-H"	44.97116
"632572"	1341.28796	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+2Na-H"	44.97116
"1134257"	477.07676	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2Na-H"	44.97116
"173775"	455.094818	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+2Na"	45.978436
"614554"	671.147618	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+2Na"	45.978436
"1120976"	239.042018	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2Na"	45.978436
"1402677"	159.697104	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H+2Na"	46.985712
"1434427"	479.118346	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H+HCOOH"	47.012746
"221936"	460.12784	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+3H2O+2H"	56.04448
"1520577"	493.17039	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+IsoProp+H"	61.06479
"419169"	463.081788	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+Na+K"	61.952376
"783086"	679.134588	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+Na+K"	61.952376
"1677591"	247.028988	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Na+K"	61.952376
"264108"	928.226968	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+ACN+Na"	64.015768
"1237911"	496.121368	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+ACN+Na"	64.015768
"1728136"	496.144893	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+NH4+HCOOH"	64.039293
"1191059"	167.024418	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+3Na"	68.967654
"1662046"	501.100288	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Na+HCOOH"	68.994688
"170001"	941.13024	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+2K-H"	76.91904
"610665"	1373.23584	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+2K-H"	76.91904
"1098090"	509.02464	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2K-H"	76.91904
"155145"	471.068758	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"2M+2K"	77.926316
"595192"	687.121558	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"3M+2K"	77.926316
"1083349"	255.015958	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2K"	77.926316
"1113279"	511.039192	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2K+H"	78.933592
"1346746"	511.126807	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+DMSO+H"	79.021207
"1015274"	515.165976	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2ACN+H"	83.060376
"1537775"	516.159608	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+IsoProp+Na+H"	84.054008
"1004222"	258.086626	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+2ACN+2H"	84.067652
"1597632"	517.074228	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+K+HCOOH"	84.968628
"1420012"	547.105738	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+H+CF3COOH"	115.000138
"1154674"	278.599901	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+3ACN+2H"	125.094202
"1699852"	564.132285	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+NH4+CF3COOH"	132.026685
"1638784"	569.08768	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+Na+CF3COOH"	136.98208
"1578815"	585.06162	"C09126"	"Genistein 7-O-beta-D-glucoside;Genistein"	"C21H20O10"	"432.1056"	"M+K+CF3COOH"	152.95602
"809179"	612.3662	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M"	0
"977613"	593.34781	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-H2O-H"	-19.01839
"68772"	407.236857333333	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M-3H"	-3.021828
"511612"	611.358924	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M-3H"	-3.021828
"889414"	203.114790666667	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-3H"	-3.021828
"9081"	611.358924	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M-2H"	-2.014552
"444632"	917.542024	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M-2H"	-2.014552
"820246"	305.175824	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-2H"	-2.014552
"82060"	1223.725124	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M-H"	-1.007276
"521619"	1836.091324	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M-H"	-1.007276
"901609"	611.358924	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-H"	-1.007276
"51971"	1240.751671	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M-2H+NH4"	16.019271
"488254"	1853.117871	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M-2H+NH4"	16.019271
"867146"	628.385471	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-2H+NH4"	16.019271
"35776"	1245.707066	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M-2H+Na"	20.974666
"473153"	1858.073266	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M-2H+Na"	20.974666
"848562"	633.340866	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-2H+Na"	20.974666
"1619645"	633.340866	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Na-2H"	20.974666
"103588"	629.347263	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M-H+Cl"	33.962126
"548987"	935.530363	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M-H+Cl"	33.962126
"938853"	323.164163	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-H+Cl"	33.962126
"281179"	1259.701802	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+Cl"	34.969402
"672019"	1872.068002	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+Cl"	34.969402
"1286859"	647.335602	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Cl"	34.969402
"29169"	1261.681006	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M-2H+K"	36.948606
"464361"	1874.047206	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M-2H+K"	36.948606
"838150"	649.314806	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-2H+K"	36.948606
"1560182"	649.314806	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+K-2H"	36.948606
"951347"	657.364394	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-H+HCOOH"	44.998194
"366277"	1269.730601	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+HCOOH-H"	44.998201
"347972"	1283.746251	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+Hac-H"	59.013851
"1496804"	671.380051	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Hac-H"	59.013851
"963254"	679.346351	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-H+NaCOOH"	66.980151
"112526"	647.335602	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+2Cl"	69.938804
"556099"	953.518702	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+2Cl"	69.938804
"1028179"	341.152502	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2Cl"	69.938804
"1252132"	691.285085	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Br"	78.918885
"1317863"	693.341072	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Cl+HCOOH"	80.974872
"1333902"	715.323029	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Cl+NaCOOH"	102.956829
"923504"	725.351786	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M-H+CF3COOH"	112.985586
"1303985"	761.328464	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Cl+CF3COOH"	148.962264
"1382470"	577.353524	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H-2H2O"	-35.012676
"1396239"	595.3635	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H-H2O"	-17.0027
"294103"	1225.739676	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+H"	1.007276
"688707"	1838.105876	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+H"	1.007276
"1363597"	613.373476	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H"	1.007276
"131386"	613.373476	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+2H"	2.014552
"569855"	919.556576	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+2H"	2.014552
"1041935"	307.190376	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2H"	2.014552
"215303"	409.251409333333	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+3H"	3.021828
"657782"	613.373476	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+3H"	3.021828
"1168617"	205.129342666667	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+3H"	3.021828
"427516"	1242.766223	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+NH4"	18.033823
"788510"	1855.132423	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+NH4"	18.033823
"1681924"	630.400023	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+NH4"	18.033823
"330107"	621.8867495	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+H+NH4"	19.041099
"724569"	928.0698495	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+H+NH4"	19.041099
"1478997"	315.7036495	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H+NH4"	19.041099
"392999"	1247.721618	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+Na"	22.989218
"755757"	1860.087818	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+Na"	22.989218
"1609328"	635.355418	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Na"	22.989218
"328115"	624.364447	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+H+Na"	23.996494
"721267"	930.547547	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+H+Na"	23.996494
"1475456"	318.181347	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H+Na"	23.996494
"1065057"	212.456656666667	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2H+Na"	25.00377
"1269285"	645.399686	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+CH3OH+H"	33.033486
"390776"	1263.695558	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+K"	38.963158
"748854"	1876.061758	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+K"	38.963158
"1553826"	651.329358	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+K"	38.963158
"314089"	632.351417	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+H+K"	39.970434
"706468"	938.534517	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+H+K"	39.970434
"1452145"	326.168317	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H+K"	39.970434
"250349"	1266.766226	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+ACN+H"	42.033826
"1221837"	654.400026	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+ACN+H"	42.033826
"1196605"	327.703651	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+ACN+2H"	43.041102
"192029"	1269.70356	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+2Na-H"	44.97116
"630860"	1882.06976	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+2Na-H"	44.97116
"1134367"	657.33736	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2Na-H"	44.97116
"175469"	635.355418	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+2Na"	45.978436
"617216"	941.538518	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+2Na"	45.978436
"1121450"	329.172318	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2Na"	45.978436
"1402787"	219.783970666667	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H+2Na"	46.985712
"1434537"	659.378946	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H+HCOOH"	47.012746
"223139"	640.38844	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+3H2O+2H"	56.04448
"1518500"	673.43099	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+IsoProp+H"	61.06479
"415999"	643.342388	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+Na+K"	61.952376
"782102"	949.525488	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+Na+K"	61.952376
"1675514"	337.159288	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Na+K"	61.952376
"263125"	1288.748168	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+ACN+Na"	64.015768
"1231460"	676.381968	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+ACN+Na"	64.015768
"1719252"	676.405493	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+NH4+HCOOH"	64.039293
"1187889"	227.111284666667	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+3Na"	68.967654
"1657053"	681.360888	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Na+HCOOH"	68.994688
"164643"	1301.65144	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+2K-H"	76.91904
"610768"	1914.01764	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+2K-H"	76.91904
"1099252"	689.28524	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2K-H"	76.91904
"153189"	651.329358	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"2M+2K"	77.926316
"593843"	957.512458	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"3M+2K"	77.926316
"1081636"	345.146258	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2K"	77.926316
"1113752"	691.299792	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2K+H"	78.933592
"1341389"	691.387407	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+DMSO+H"	79.021207
"1014290"	695.426576	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2ACN+H"	83.060376
"1538978"	696.420208	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+IsoProp+Na+H"	84.054008
"1001051"	348.216926	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+2ACN+2H"	84.067652
"1593368"	697.334828	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+K+HCOOH"	84.968628
"1421215"	727.366338	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+H+CF3COOH"	115.000138
"1154784"	368.730201	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+3ACN+2H"	125.094202
"1701055"	744.392885	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+NH4+CF3COOH"	132.026685
"1637801"	749.34828	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+Na+CF3COOH"	136.98208
"1578925"	765.32222	"C09127"	"Mancinellin"	"C36H52O8"	"612.3662"	"M+K+CF3COOH"	152.95602
"809289"	332.1988	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M"	0
"977359"	313.18041	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"67789"	220.458590666667	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"511722"	331.191524	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"889524"	109.725657333333	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"9191"	331.191524	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"441462"	497.290924	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"817229"	165.092124	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"79982"	663.390324	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"521725"	995.589124	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"897707"	331.191524	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"48801"	680.416871	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"488725"	1012.615671	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"865800"	348.218071	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"33699"	685.372266	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"474355"	1017.571066	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"848575"	353.173466	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1620606"	353.173466	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"103698"	349.179863	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"545810"	515.279263	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"938599"	183.080463	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"282261"	699.367002	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"672493"	1031.565802	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1286724"	367.168202	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"27093"	701.346206	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"463377"	1033.545006	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"835708"	369.147406	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1558103"	369.147406	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"950364"	377.196994	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"363470"	709.395801	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"349180"	723.411451	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1496914"	391.212651	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"964454"	399.178951	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"113730"	367.168202	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"552560"	533.267602	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1023548"	201.068802	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1243490"	411.117685	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1309223"	413.173672	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1333285"	435.155629	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"923979"	445.184386	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1303120"	481.161064	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1381524"	297.186124	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1396348"	315.1961	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"294213"	665.404876	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"687724"	997.603676	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1360791"	333.206076	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"131496"	333.206076	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"566683"	499.305476	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1045325"	167.106676	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"215413"	222.473142666667	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"657163"	333.206076	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1175287"	111.740209333333	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"432001"	682.431423	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"788256"	1014.630223	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1684951"	350.232623	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"330029"	341.7193495	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"722831"	507.8187495	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1477650"	175.6199495	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"393408"	687.386818	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"755867"	1019.585618	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1609437"	355.188018	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"319477"	344.197047	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"721622"	510.296447	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1474838"	178.097647	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1066624"	119.067523333333	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1268298"	365.232286	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"389063"	703.360758	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"748963"	1035.559558	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1553572"	371.161958	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"312939"	352.184017	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"706985"	518.283417	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1454441"	186.084617	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"251148"	706.431426	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1222311"	374.232626	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1197808"	187.619951	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"192867"	709.36876	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"631699"	1041.56756	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1135935"	377.16996	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"176308"	355.188018	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"615868"	521.287418	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1120832"	189.088618	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1402533"	126.394837333333	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1431367"	379.211546	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"223615"	360.22104	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1517517"	393.26359	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"416109"	363.174988	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"782576"	529.274388	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1675624"	197.075588	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"262142"	728.413368	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1231570"	396.214568	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1721548"	396.238093	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1183622"	133.722151333333	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1658985"	401.193488	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"163659"	741.31664	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"609779"	1073.51544	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1092104"	409.11784	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"150015"	371.161958	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"590672"	537.261358	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1080652"	205.062558	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1114469"	411.132392	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1339312"	411.220007	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1014400"	415.259176	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1537995"	416.252808	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"998974"	208.133226	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1594571"	417.167428	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1418045"	447.198938	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1151614"	228.646501	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1700072"	464.225485	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1637911"	469.18088	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1579035"	485.15482	"C09128"	"Marrubiin"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"809399"	822.384	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M"	0
"977469"	803.36561	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-H2O-H"	-19.01839
"71179"	547.248724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M-3H"	-3.021828
"511832"	821.376724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M-3H"	-3.021828
"886354"	273.120724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-3H"	-3.021828
"9302"	821.376724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M-2H"	-2.014552
"447769"	1232.568724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M-2H"	-2.014552
"818280"	410.184724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-2H"	-2.014552
"82277"	1643.760724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M-H"	-1.007276
"519769"	2466.144724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M-H"	-1.007276
"897820"	821.376724	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-H"	-1.007276
"49644"	1660.787271	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M-2H+NH4"	16.019271
"489565"	2483.171271	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M-2H+NH4"	16.019271
"864815"	838.403271	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-2H+NH4"	16.019271
"32472"	1665.742666	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M-2H+Na"	20.974666
"472400"	2488.126666	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M-2H+Na"	20.974666
"850445"	843.358666	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-2H+Na"	20.974666
"1621809"	843.358666	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Na-2H"	20.974666
"103808"	839.365063	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M-H+Cl"	33.962126
"545920"	1250.557063	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M-H+Cl"	33.962126
"941629"	428.173063	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-H+Cl"	33.962126
"280428"	1679.737402	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+Cl"	34.969402
"675079"	2502.121402	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+Cl"	34.969402
"1283554"	857.353402	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Cl"	34.969402
"23920"	1681.716606	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M-2H+K"	36.948606
"466764"	2504.100606	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M-2H+K"	36.948606
"838006"	859.332606	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-2H+K"	36.948606
"1561493"	859.332606	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+K-2H"	36.948606
"948286"	867.382194	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-H+HCOOH"	44.998194
"364310"	1689.766201	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+HCOOH-H"	44.998201
"350382"	1703.781851	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+Hac-H"	59.013851
"1495933"	881.397851	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Hac-H"	59.013851
"963473"	889.364151	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-H+NaCOOH"	66.980151
"114571"	857.353402	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+2Cl"	69.938804
"553401"	1268.545402	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+2Cl"	69.938804
"1025118"	446.161402	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2Cl"	69.938804
"1244331"	901.302885	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Br"	78.918885
"1309333"	903.358872	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Cl+HCOOH"	80.974872
"1329017"	925.340829	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Cl+NaCOOH"	102.956829
"922265"	935.369586	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M-H+CF3COOH"	112.985586
"1298974"	971.346264	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Cl+CF3COOH"	148.962264
"1382365"	787.371324	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H-2H2O"	-35.012676
"1394639"	805.3813	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H-H2O"	-17.0027
"296510"	1645.775276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+H"	1.007276
"685647"	2468.159276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+H"	1.007276
"1358714"	823.391276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H"	1.007276
"134887"	823.391276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+2H"	2.014552
"570074"	1234.583276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+2H"	2.014552
"1045435"	412.199276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2H"	2.014552
"214430"	549.263276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+3H"	3.021828
"658853"	823.391276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+3H"	3.021828
"1175397"	275.135276	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+3H"	3.021828
"435391"	1662.801823	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+NH4"	18.033823
"788731"	2485.185823	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+NH4"	18.033823
"1684698"	840.417823	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+NH4"	18.033823
"331152"	831.9045495	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+H+NH4"	19.041099
"723696"	1243.0965495	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+H+NH4"	19.041099
"1482865"	420.7125495	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H+NH4"	19.041099
"393275"	1667.757218	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+Na"	22.989218
"758166"	2490.141218	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+Na"	22.989218
"1609547"	845.373218	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Na"	22.989218
"321774"	834.382247	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+H+Na"	23.996494
"721002"	1245.574247	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+H+Na"	23.996494
"1473490"	423.190247	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H+Na"	23.996494
"1066003"	282.46259	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2H+Na"	25.00377
"1270474"	855.417486	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+CH3OH+H"	33.033486
"390266"	1683.731158	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+K"	38.963158
"749073"	2506.115158	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+K"	38.963158
"1552219"	861.347158	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+K"	38.963158
"313535"	842.369217	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+H+K"	39.970434
"706564"	1253.561217	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+H+K"	39.970434
"1460388"	431.177217	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H+K"	39.970434
"249838"	1686.801826	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+ACN+H"	42.033826
"1220234"	864.417826	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+ACN+H"	42.033826
"1204118"	432.712551	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+ACN+2H"	43.041102
"192248"	1689.73916	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+2Na-H"	44.97116
"632538"	2512.12316	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+2Na-H"	44.97116
"1134586"	867.35516	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2Na-H"	44.97116
"179334"	845.373218	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+2Na"	45.978436
"617801"	1256.565218	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+2Na"	45.978436
"1119484"	434.181218	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2Na"	45.978436
"1403373"	289.789904	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H+2Na"	46.985712
"1438769"	869.396746	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H+HCOOH"	47.012746
"229558"	850.40624	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+3H2O+2H"	56.04448
"1520907"	883.44879	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+IsoProp+H"	61.06479
"418406"	853.360188	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+Na+K"	61.952376
"775027"	1264.552188	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+Na+K"	61.952376
"1677924"	442.168188	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Na+K"	61.952376
"262253"	1708.783768	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+ACN+Na"	64.015768
"1233866"	886.399768	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+ACN+Na"	64.015768
"1720565"	886.423293	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+NH4+HCOOH"	64.039293
"1183732"	297.117218	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+3Na"	68.967654
"1659095"	891.378688	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Na+HCOOH"	68.994688
"167050"	1721.68704	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+2K-H"	76.91904
"607703"	2544.07104	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+2K-H"	76.91904
"1093307"	899.30304	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2K-H"	76.91904
"146845"	861.347158	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"2M+2K"	77.926316
"590780"	1272.539158	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"3M+2K"	77.926316
"1075295"	450.155158	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2K"	77.926316
"1109597"	901.317592	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2K+H"	78.933592
"1342703"	901.405207	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+DMSO+H"	79.021207
"1011233"	905.444376	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2ACN+H"	83.060376
"1528265"	906.438008	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+IsoProp+Na+H"	84.054008
"996898"	453.225826	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+2ACN+2H"	84.067652
"1592497"	907.352628	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+K+HCOOH"	84.968628
"1414306"	937.384138	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+H+CF3COOH"	115.000138
"1149538"	473.739101	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+3ACN+2H"	125.094202
"1698116"	954.410685	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+NH4+CF3COOH"	132.026685
"1638021"	959.36608	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+Na+CF3COOH"	136.98208
"1579145"	975.34002	"C09129"	"Catharine"	"C46H54N4O10"	"822.384"	"M+K+CF3COOH"	152.95602
"809509"	304.1212	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M"	0
"977579"	285.10281	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-H2O-H"	-19.01839
"74569"	201.740190666667	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M-3H"	-3.021828
"511942"	303.113924	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M-3H"	-3.021828
"887557"	100.366457333333	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-3H"	-3.021828
"8319"	303.113924	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M-2H"	-2.014552
"450065"	455.174524	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M-2H"	-2.014552
"821305"	151.053324	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-2H"	-2.014552
"82387"	607.235124	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M-H"	-1.007276
"519758"	911.356324	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M-H"	-1.007276
"897687"	303.113924	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-H"	-1.007276
"48171"	624.261671	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M-2H+NH4"	16.019271
"491497"	928.382871	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M-2H+NH4"	16.019271
"869300"	320.140471	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-2H+NH4"	16.019271
"34405"	629.217066	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M-2H+Na"	20.974666
"474082"	933.338266	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M-2H+Na"	20.974666
"850555"	325.095866	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-2H+Na"	20.974666
"1621914"	325.095866	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Na-2H"	20.974666
"105011"	321.102263	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M-H+Cl"	33.962126
"546394"	473.162863	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M-H+Cl"	33.962126
"942106"	169.041663	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-H+Cl"	33.962126
"278834"	643.211802	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+Cl"	34.969402
"673443"	947.333002	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+Cl"	34.969402
"1283660"	339.090602	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Cl"	34.969402
"26218"	645.191006	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M-2H+K"	36.948606
"467968"	949.312206	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M-2H+K"	36.948606
"837022"	341.069806	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-2H+K"	36.948606
"1562696"	341.069806	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+K-2H"	36.948606
"950581"	349.119394	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-H+HCOOH"	44.998194
"364420"	653.240601	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+HCOOH-H"	44.998201
"353771"	667.256251	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+Hac-H"	59.013851
"1504791"	363.135051	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Hac-H"	59.013851
"963216"	371.101351	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-H+NaCOOH"	66.980151
"116865"	339.090602	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+2Cl"	69.938804
"554968"	491.151202	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+2Cl"	69.938804
"1024499"	187.030002	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2Cl"	69.938804
"1251366"	383.040085	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Br"	78.918885
"1307983"	385.096072	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Cl+HCOOH"	80.974872
"1329127"	407.078029	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Cl+NaCOOH"	102.956829
"915813"	417.106786	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M-H+CF3COOH"	112.985586
"1301271"	453.083464	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Cl+CF3COOH"	148.962264
"1381865"	269.108524	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H-2H2O"	-35.012676
"1397786"	287.1185	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H-H2O"	-17.0027
"296617"	609.249676	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+H"	1.007276
"685756"	913.370876	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+H"	1.007276
"1358824"	305.128476	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H"	1.007276
"134997"	305.128476	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+2H"	2.014552
"569091"	457.189076	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+2H"	2.014552
"1044451"	153.067876	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2H"	2.014552
"208342"	203.754742666667	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+3H"	3.021828
"658474"	305.128476	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+3H"	3.021828
"1175505"	102.381009333333	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+3H"	3.021828
"435501"	626.276223	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+NH4"	18.033823
"791392"	930.397423	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+NH4"	18.033823
"1687360"	322.155023	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+NH4"	18.033823
"335637"	313.6417495	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+H+NH4"	19.041099
"725873"	465.7023495	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+H+NH4"	19.041099
"1485163"	161.5811495	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H+NH4"	19.041099
"393631"	631.231618	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+Na"	22.989218
"758277"	935.352818	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+Na"	22.989218
"1609657"	327.110418	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Na"	22.989218
"322977"	316.119447	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+H+Na"	23.996494
"721233"	468.180047	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+H+Na"	23.996494
"1475058"	164.058847	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H+Na"	23.996494
"1067570"	109.708323333333	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2H+Na"	25.00377
"1267425"	337.154686	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+CH3OH+H"	33.033486
"390376"	647.205558	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+K"	38.963158
"750276"	951.326758	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+K"	38.963158
"1552329"	343.084358	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+K"	38.963158
"313849"	324.106417	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+H+K"	39.970434
"705578"	476.167017	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+H+K"	39.970434
"1460257"	172.045817	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H+K"	39.970434
"249825"	650.276226	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+ACN+H"	42.033826
"1220343"	346.155026	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+ACN+H"	42.033826
"1202041"	173.581151	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+ACN+2H"	43.041102
"191994"	653.21356	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+2Na-H"	44.97116
"630825"	957.33476	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+2Na-H"	44.97116
"1134332"	349.09236	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2Na-H"	44.97116
"180175"	327.110418	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+2Na"	45.978436
"620829"	479.171018	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+2Na"	45.978436
"1119230"	175.049818	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2Na"	45.978436
"1399350"	117.035637333333	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H+2Na"	46.985712
"1435599"	351.133946	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H+HCOOH"	47.012746
"227481"	332.14344	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+3H2O+2H"	56.04448
"1516642"	365.18599	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+IsoProp+H"	61.06479
"416329"	335.097388	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+Na+K"	61.952376
"776230"	487.157988	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+Na+K"	61.952376
"1676938"	183.036788	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Na+K"	61.952376
"261268"	672.258168	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+ACN+Na"	64.015768
"1235069"	368.136968	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+ACN+Na"	64.015768
"1715207"	368.160493	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+NH4+HCOOH"	64.039293
"1186029"	124.362951333333	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+3Na"	68.967654
"1659202"	373.115888	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Na+HCOOH"	68.994688
"167159"	685.16144	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+2K-H"	76.91904
"607812"	989.28264	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+2K-H"	76.91904
"1090137"	381.04024	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2K-H"	76.91904
"146954"	343.084358	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"2M+2K"	77.926316
"590888"	495.144958	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"3M+2K"	77.926316
"1077589"	191.023758	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2K"	77.926316
"1107519"	383.054792	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2K+H"	78.933592
"1342814"	383.142407	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+DMSO+H"	79.021207
"1010250"	387.181576	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2ACN+H"	83.060376
"1531656"	388.175208	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+IsoProp+Na+H"	84.054008
"994822"	194.094426	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+2ACN+2H"	84.067652
"1591514"	389.089828	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+K+HCOOH"	84.968628
"1414742"	419.121338	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+H+CF3COOH"	115.000138
"1150741"	214.607701	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+3ACN+2H"	125.094202
"1699198"	436.147885	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+NH4+CF3COOH"	132.026685
"1638131"	441.10328	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+Na+CF3COOH"	136.98208
"1579255"	457.07722	"C09130"	"Ceceline"	"C19H16N2O2"	"304.1212"	"M+K+CF3COOH"	152.95602
"816670"	256.1576	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M"	0
"983157"	237.13921	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-H2O-H"	-19.01839
"74679"	169.764457333333	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M-3H"	-3.021828
"514240"	255.150324	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M-3H"	-3.021828
"892042"	84.3785906666667	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-3H"	-3.021828
"9522"	255.150324	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M-2H"	-2.014552
"454184"	383.229124	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M-2H"	-2.014552
"821415"	127.071524	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-2H"	-2.014552
"83590"	511.307924	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M-H"	-1.007276
"520234"	767.465524	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M-H"	-1.007276
"902048"	255.150324	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-H"	-1.007276
"52049"	528.334471	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M-2H+NH4"	16.019271
"492702"	784.492071	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M-2H+NH4"	16.019271
"868317"	272.176871	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-2H+NH4"	16.019271
"35487"	533.289866	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M-2H+Na"	20.974666
"474315"	789.447466	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M-2H+Na"	20.974666
"850301"	277.132266	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-2H+Na"	20.974666
"1625305"	277.132266	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Na-2H"	20.974666
"104028"	273.138663	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M-H+Cl"	33.962126
"546140"	401.217463	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M-H+Cl"	33.962126
"941970"	145.059863	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-H+Cl"	33.962126
"282106"	547.284602	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+Cl"	34.969402
"674771"	803.442202	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+Cl"	34.969402
"1283769"	291.127002	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Cl"	34.969402
"25961"	549.263806	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M-2H+K"	36.948606
"465887"	805.421406	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M-2H+K"	36.948606
"840411"	293.106206	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-2H+K"	36.948606
"1563900"	293.106206	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+K-2H"	36.948606
"951781"	301.155794	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-H+HCOOH"	44.998194
"365624"	557.313401	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+HCOOH-H"	44.998201
"353881"	571.329051	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+Hac-H"	59.013851
"1502713"	315.171451	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Hac-H"	59.013851
"964786"	323.137751	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-H+NaCOOH"	66.980151
"116973"	291.127002	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+2Cl"	69.938804
"554351"	419.205802	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+2Cl"	69.938804
"1022543"	163.048202	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2Cl"	69.938804
"1249289"	335.076485	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Br"	78.918885
"1308459"	337.132472	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Cl+HCOOH"	80.974872
"1323769"	359.114429	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Cl+NaCOOH"	102.956829
"914830"	369.143186	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M-H+CF3COOH"	112.985586
"1299194"	405.119864	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Cl+CF3COOH"	148.962264
"1376262"	221.144924	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H-2H2O"	-35.012676
"1394856"	239.1549	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H-H2O"	-17.0027
"296728"	513.322476	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+H"	1.007276
"682588"	769.480076	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+H"	1.007276
"1361122"	257.164876	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H"	1.007276
"130734"	257.164876	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+2H"	2.014552
"572481"	385.243676	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+2H"	2.014552
"1042374"	129.086076	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2H"	2.014552
"207358"	171.779009333333	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+3H"	3.021828
"652023"	257.164876	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+3H"	3.021828
"1172335"	86.3931426666667	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+3H"	3.021828
"432330"	530.349023	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+NH4"	18.033823
"788222"	786.506623	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+NH4"	18.033823
"1688563"	274.191423	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+NH4"	18.033823
"334654"	265.6781495	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+H+NH4"	19.041099
"728170"	393.7569495	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+H+NH4"	19.041099
"1488553"	137.5993495	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H+NH4"	19.041099
"397389"	535.304418	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+Na"	22.989218
"758387"	791.462018	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+Na"	22.989218
"1609767"	279.146818	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Na"	22.989218
"325273"	268.155847	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+H+Na"	23.996494
"721951"	396.234647	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+H+Na"	23.996494
"1474441"	140.077047	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H+Na"	23.996494
"1067803"	93.7204566666667	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2H+Na"	25.00377
"1268630"	289.191086	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+CH3OH+H"	33.033486
"390855"	551.278358	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+K"	38.963158
"750387"	807.435958	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+K"	38.963158
"1554269"	295.120758	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+K"	38.963158
"314146"	276.142817	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+H+K"	39.970434
"706053"	404.221617	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+H+K"	39.970434
"1460127"	148.064017	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H+K"	39.970434
"248842"	554.349026	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+ACN+H"	42.033826
"1222278"	298.191426	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+ACN+H"	42.033826
"1199965"	149.599351	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+ACN+2H"	43.041102
"192470"	557.28636	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+2Na-H"	44.97116
"629842"	813.44396	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+2Na-H"	44.97116
"1136630"	301.12876	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2Na-H"	44.97116
"177368"	279.146818	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+2Na"	45.978436
"616928"	407.225618	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+2Na"	45.978436
"1124445"	151.068018	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2Na"	45.978436
"1402501"	101.047770666667	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H+2Na"	46.985712
"1436802"	303.170346	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H+HCOOH"	47.012746
"227592"	284.17984	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+3H2O+2H"	56.04448
"1515659"	317.22239	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+IsoProp+H"	61.06479
"415710"	287.133788	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+Na+K"	61.952376
"778527"	415.212588	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+Na+K"	61.952376
"1675955"	159.054988	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Na+K"	61.952376
"262471"	576.330968	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+ACN+Na"	64.015768
"1235179"	320.173368	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+ACN+Na"	64.015768
"1717504"	320.196893	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+NH4+HCOOH"	64.039293
"1186139"	108.375084666667	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+3Na"	68.967654
"1659313"	325.152288	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Na+HCOOH"	68.994688
"167269"	589.23424	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+2K-H"	76.91904
"606829"	845.39184	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+2K-H"	76.91904
"1090247"	333.07664	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2K-H"	76.91904
"147064"	295.120758	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"2M+2K"	77.926316
"585531"	423.199558	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"3M+2K"	77.926316
"1075512"	167.041958	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2K"	77.926316
"1108721"	335.091192	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2K+H"	78.933592
"1346205"	335.178807	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+DMSO+H"	79.021207
"1012547"	339.217976	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2ACN+H"	83.060376
"1526299"	340.211608	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+IsoProp+Na+H"	84.054008
"993839"	170.112626	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+2ACN+2H"	84.067652
"1590530"	341.126228	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+K+HCOOH"	84.968628
"1418377"	371.157738	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+H+CF3COOH"	115.000138
"1149759"	190.625901	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+3ACN+2H"	125.094202
"1700404"	388.184285	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+NH4+CF3COOH"	132.026685
"1638241"	393.13968	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+Na+CF3COOH"	136.98208
"1579365"	409.11362	"C09131"	"Chanoclavine-I"	"C16H20N2O"	"256.1576"	"M+K+CF3COOH"	152.95602
"816698"	524.2258	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M"	0
"983267"	505.20741	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-H2O-H"	-19.01839
"74791"	348.476590666667	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M-3H"	-3.021828
"514351"	523.218524	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M-3H"	-3.021828
"891059"	173.734657333333	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-3H"	-3.021828
"9634"	523.218524	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M-2H"	-2.014552
"449192"	785.331424	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M-2H"	-2.014552
"822619"	261.105624	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-2H"	-2.014552
"81880"	1047.444324	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M-H"	-1.007276
"523626"	1571.670124	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M-H"	-1.007276
"899972"	523.218524	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-H"	-1.007276
"54345"	1064.470871	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M-2H+NH4"	16.019271
"492812"	1588.696671	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M-2H+NH4"	16.019271
"867332"	540.245071	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-2H+NH4"	16.019271
"34140"	1069.426266	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M-2H+Na"	20.974666
"471628"	1593.652066	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M-2H+Na"	20.974666
"850411"	545.200466	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-2H+Na"	20.974666
"1625415"	545.200466	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Na-2H"	20.974666
"101949"	541.206863	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M-H+Cl"	33.962126
"544427"	803.319763	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M-H+Cl"	33.962126
"941224"	279.093963	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-H+Cl"	33.962126
"282622"	1083.421002	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+Cl"	34.969402
"675630"	1607.646802	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+Cl"	34.969402
"1280598"	559.195202	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Cl"	34.969402
"25341"	1085.400206	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M-2H+K"	36.948606
"464903"	1609.626006	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M-2H+K"	36.948606
"841611"	561.174406	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-2H+K"	36.948606
"1560728"	561.174406	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+K-2H"	36.948606
"954807"	569.223994	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-H+HCOOH"	44.998194
"365734"	1093.449801	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+HCOOH-H"	44.998201
"352897"	1107.465451	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+Hac-H"	59.013851
"1500636"	583.239651	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Hac-H"	59.013851
"964167"	591.205951	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-H+NaCOOH"	66.980151
"117083"	559.195202	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+2Cl"	69.938804
"553368"	821.308102	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+2Cl"	69.938804
"1022531"	297.082302	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2Cl"	69.938804
"1248306"	603.144685	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Br"	78.918885
"1308569"	605.200672	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Cl+HCOOH"	80.974872
"1328254"	627.182629	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Cl+NaCOOH"	102.956829
"922595"	637.211386	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M-H+CF3COOH"	112.985586
"1300397"	673.188064	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Cl+CF3COOH"	148.962264
"1377465"	489.213124	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H-2H2O"	-35.012676
"1394605"	507.2231	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H-H2O"	-17.0027
"296838"	1049.458876	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+H"	1.007276
"682697"	1573.684676	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+H"	1.007276
"1361232"	525.233076	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H"	1.007276
"130844"	525.233076	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+2H"	2.014552
"571497"	787.345976	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+2H"	2.014552
"1042484"	263.120176	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2H"	2.014552
"208562"	350.491142666667	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+3H"	3.021828
"652133"	525.233076	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+3H"	3.021828
"1172445"	175.749209333333	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+3H"	3.021828
"433535"	1066.485423	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+NH4"	18.033823
"791977"	1590.711223	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+NH4"	18.033823
"1689766"	542.259623	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+NH4"	18.033823
"338045"	533.7463495	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+H+NH4"	19.041099
"731560"	795.8592495	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+H+NH4"	19.041099
"1486476"	271.6334495	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H+NH4"	19.041099
"398593"	1071.440818	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+Na"	22.989218
"757034"	1595.666618	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+Na"	22.989218
"1609877"	547.215018	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Na"	22.989218
"325386"	536.224047	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+H+Na"	23.996494
"721578"	798.336947	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+H+Na"	23.996494
"1474550"	274.111147	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H+Na"	23.996494
"1066698"	183.076523333333	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2H+Na"	25.00377
"1267647"	557.259286	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+CH3OH+H"	33.033486
"390966"	1087.414758	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+K"	38.963158
"748311"	1611.640558	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+K"	38.963158
"1553283"	563.188958	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+K"	38.963158
"314235"	544.211017	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+H+K"	39.970434
"707006"	806.323917	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+H+K"	39.970434
"1460966"	282.098117	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H+K"	39.970434
"250774"	1090.485426	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+ACN+H"	42.033826
"1221659"	566.259626	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+ACN+H"	42.033826
"1197888"	283.633451	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+ACN+2H"	43.041102
"190757"	1093.42276	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+2Na-H"	44.97116
"629219"	1617.64856	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+2Na-H"	44.97116
"1133825"	569.19696	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2Na-H"	44.97116
"174440"	547.215018	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+2Na"	45.978436
"615582"	809.327918	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+2Na"	45.978436
"1120181"	285.102118	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2Na"	45.978436
"1402611"	190.403837333333	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H+2Na"	46.985712
"1443109"	571.238546	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H+HCOOH"	47.012746
"229888"	552.24804	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+3H2O+2H"	56.04448
"1516862"	585.29059	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+IsoProp+H"	61.06479
"416549"	555.201988	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+Na+K"	61.952376
"778636"	817.314888	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+Na+K"	61.952376
"1677158"	293.089088	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Na+K"	61.952376
"263674"	1112.467368	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+ACN+Na"	64.015768
"1234195"	588.241568	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+ACN+Na"	64.015768
"1717614"	588.265093	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+NH4+HCOOH"	64.039293
"1180051"	197.731151333333	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+3Na"	68.967654
"1659423"	593.220488	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Na+HCOOH"	68.994688
"169565"	1125.37064	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+2K-H"	76.91904
"608032"	1649.59644	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+2K-H"	76.91904
"1091450"	601.14484	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2K-H"	76.91904
"144985"	563.188958	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"2M+2K"	77.926316
"587824"	825.301858	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"3M+2K"	77.926316
"1073435"	301.076058	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2K"	77.926316
"1109924"	603.159392	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2K+H"	78.933592
"1347045"	603.247007	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+DMSO+H"	79.021207
"1015938"	607.286176	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2ACN+H"	83.060376
"1528596"	608.279808	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+IsoProp+Na+H"	84.054008
"992854"	304.146726	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+2ACN+2H"	84.067652
"1592826"	609.194428	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+K+HCOOH"	84.968628
"1417393"	639.225938	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+H+CF3COOH"	115.000138
"1150962"	324.660001	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+3ACN+2H"	125.094202
"1701607"	656.252485	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+NH4+CF3COOH"	132.026685
"1638351"	661.20788	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+Na+CF3COOH"	136.98208
"1579475"	677.18182	"C09132"	"Mascaroside"	"C26H36O11"	"524.2258"	"M+K+CF3COOH"	152.95602
"809839"	346.2157	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M"	0
"985565"	327.19731	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-H2O-H"	-19.01839
"78556"	229.803190666667	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M-3H"	-3.021828
"517014"	345.208424	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M-3H"	-3.021828
"892264"	114.397957333333	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-3H"	-3.021828
"10836"	345.208424	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M-2H"	-2.014552
"449302"	518.316274	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M-2H"	-2.014552
"823823"	172.100574	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-2H"	-2.014552
"84176"	691.424124	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M-H"	-1.007276
"524465"	1037.639824	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M-H"	-1.007276
"901175"	345.208424	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-H"	-1.007276
"53362"	708.450671	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M-2H+NH4"	16.019271
"495108"	1054.666371	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M-2H+NH4"	16.019271
"866714"	362.234971	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-2H+NH4"	16.019271
"33029"	713.406066	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M-2H+Na"	20.974666
"472349"	1059.621766	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M-2H+Na"	20.974666
"850521"	367.190366	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-2H+Na"	20.974666
"1620051"	367.190366	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Na-2H"	20.974666
"103153"	363.196763	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M-H+Cl"	33.962126
"544537"	536.304613	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M-H+Cl"	33.962126
"940970"	190.088913	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-H+Cl"	33.962126
"282529"	727.400802	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+Cl"	34.969402
"670127"	1073.616502	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+Cl"	34.969402
"1281803"	381.185102	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Cl"	34.969402
"25452"	729.380006	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M-2H+K"	36.948606
"459546"	1075.595706	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M-2H+K"	36.948606
"836981"	383.164306	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-2H+K"	36.948606
"1566305"	383.164306	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+K-2H"	36.948606
"954188"	391.213894	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-H+HCOOH"	44.998194
"369125"	737.429601	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+HCOOH-H"	44.998201
"353007"	751.445251	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+Hac-H"	59.013851
"1504026"	405.229551	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Hac-H"	59.013851
"965007"	413.195851	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-H+NaCOOH"	66.980151
"116100"	381.185102	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+2Cl"	69.938804
"552749"	554.292952	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+2Cl"	69.938804
"1022035"	208.077252	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2Cl"	69.938804
"1243313"	425.134585	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Br"	78.918885
"1308679"	427.190572	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Cl+HCOOH"	80.974872
"1327271"	449.172529	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Cl+NaCOOH"	102.956829
"922705"	459.201286	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M-H+CF3COOH"	112.985586
"1299414"	495.177964	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Cl+CF3COOH"	148.962264
"1376482"	311.203024	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H-2H2O"	-35.012676
"1396900"	329.213	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H-H2O"	-17.0027
"295854"	693.438676	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+H"	1.007276
"683902"	1039.654376	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+H"	1.007276
"1360249"	347.222976	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H"	1.007276
"132047"	347.222976	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+2H"	2.014552
"567595"	520.330826	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+2H"	2.014552
"1043686"	174.115126	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2H"	2.014552
"209400"	231.817742666667	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+3H"	3.021828
"658805"	347.222976	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+3H"	3.021828
"1168181"	116.412509333333	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+3H"	3.021828
"431456"	710.465223	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+NH4"	18.033823
"793546"	1056.680923	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+NH4"	18.033823
"1684771"	364.249523	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+NH4"	18.033823
"334874"	355.7362495	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+H+NH4"	19.041099
"729484"	528.8440995	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+H+NH4"	19.041099
"1482213"	182.6283995	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H+NH4"	19.041099
"397610"	715.420618	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+Na"	22.989218
"757142"	1061.636318	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+Na"	22.989218
"1609987"	369.204918	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Na"	22.989218
"324403"	358.213947	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+H+Na"	23.996494
"720106"	531.321797	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+H+Na"	23.996494
"1476116"	185.106097	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H+Na"	23.996494
"1068105"	123.739823333333	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2H+Na"	25.00377
"1269580"	379.249186	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+CH3OH+H"	33.033486
"390708"	731.394558	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+K"	38.963158
"752797"	1077.610258	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+K"	38.963158
"1553757"	385.178858	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+K"	38.963158
"311663"	366.200917	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+H+K"	39.970434
"703355"	539.308767	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+H+K"	39.970434
"1460339"	193.093067	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H+K"	39.970434
"249670"	734.465226	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+ACN+H"	42.033826
"1224568"	388.249526	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+ACN+H"	42.033826
"1199091"	194.628401	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+ACN+2H"	43.041102
"194150"	737.40256	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+2Na-H"	44.97116
"633710"	1083.61826	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+2Na-H"	44.97116
"1136122"	391.18686	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2Na-H"	44.97116
"176129"	369.204918	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+2Na"	45.978436
"617879"	542.312768	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+2Na"	45.978436
"1122478"	196.097068	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2Na"	45.978436
"1404908"	131.067137333333	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H+2Na"	46.985712
"1439208"	393.228446	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H+HCOOH"	47.012746
"228905"	374.23794	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+3H2O+2H"	56.04448
"1515879"	407.28049	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+IsoProp+H"	61.06479
"417752"	377.191888	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+Na+K"	61.952376
"777289"	550.299738	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+Na+K"	61.952376
"1676175"	204.084038	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Na+K"	61.952376
"263784"	756.447168	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+ACN+Na"	64.015768
"1234305"	410.231468	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+ACN+Na"	64.015768
"1717724"	410.254993	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+NH4+HCOOH"	64.039293
"1188546"	138.394451333333	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+3Na"	68.967654
"1660626"	415.210388	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Na+HCOOH"	68.994688
"167488"	769.35044	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+2K-H"	76.91904
"603768"	1115.56614	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+2K-H"	76.91904
"1089373"	423.13474	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2K-H"	76.91904
"146189"	385.178858	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"2M+2K"	77.926316
"587933"	558.286708	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"3M+2K"	77.926316
"1073545"	212.071008	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2K"	77.926316
"1110034"	425.149292	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2K+H"	78.933592
"1347155"	425.236907	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+DMSO+H"	79.021207
"1016777"	429.276076	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2ACN+H"	83.060376
"1530892"	430.269708	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+IsoProp+Na+H"	84.054008
"994058"	215.141676	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+2ACN+2H"	84.067652
"1589656"	431.184328	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+K+HCOOH"	84.968628
"1416531"	461.215838	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+H+CF3COOH"	115.000138
"1151072"	235.654951	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+3ACN+2H"	125.094202
"1703904"	478.242385	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+NH4+CF3COOH"	132.026685
"1638461"	483.19778	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+Na+CF3COOH"	136.98208
"1579585"	499.17172	"C09133"	"(-)-Chimonanthine"	"C22H26N4"	"346.2157"	"M+K+CF3COOH"	152.95602
"809949"	654.2465	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M"	0
"985675"	635.22811	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-H2O-H"	-19.01839
"77444"	435.157057333333	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M-3H"	-3.021828
"516031"	653.239224	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M-3H"	-3.021828
"893467"	217.074890666667	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-3H"	-3.021828
"10946"	653.239224	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M-2H"	-2.014552
"449412"	980.362474	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M-2H"	-2.014552
"823933"	326.115974	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-2H"	-2.014552
"81736"	1307.485724	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M-H"	-1.007276
"526762"	1961.732224	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M-H"	-1.007276
"898006"	653.239224	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-H"	-1.007276
"52379"	1324.512271	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M-2H+NH4"	16.019271
"490845"	1978.758771	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M-2H+NH4"	16.019271
"867553"	670.265771	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-2H+NH4"	16.019271
"33262"	1329.467666	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M-2H+Na"	20.974666
"472580"	1983.714166	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M-2H+Na"	20.974666
"849538"	675.221166	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-2H+Na"	20.974666
"1618620"	675.221166	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Na-2H"	20.974666
"103261"	671.227563	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M-H+Cl"	33.962126
"540633"	998.350813	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M-H+Cl"	33.962126
"938526"	344.104313	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-H+Cl"	33.962126
"279639"	1343.462402	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+Cl"	34.969402
"675223"	1997.708902	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+Cl"	34.969402
"1279726"	689.215902	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Cl"	34.969402
"23374"	1345.441606	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M-2H+K"	36.948606
"458925"	1999.688106	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M-2H+K"	36.948606
"837818"	691.195106	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-2H+K"	36.948606
"1563136"	691.195106	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+K-2H"	36.948606
"951017"	699.244694	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-H+HCOOH"	44.998194
"368142"	1353.491201	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+HCOOH-H"	44.998201
"350930"	1367.506851	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+Hac-H"	59.013851
"1501950"	713.260351	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Hac-H"	59.013851
"965117"	721.226651	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-H+NaCOOH"	66.980151
"114024"	689.215902	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+2Cl"	69.938804
"554681"	1016.339152	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+2Cl"	69.938804
"1024576"	362.092652	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2Cl"	69.938804
"1243787"	733.165385	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Br"	78.918885
"1309882"	735.221372	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Cl+HCOOH"	80.974872
"1327381"	757.203329	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Cl+NaCOOH"	102.956829
"922815"	767.232086	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M-H+CF3COOH"	112.985586
"1299524"	803.208764	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Cl+CF3COOH"	148.962264
"1376592"	619.233824	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H-2H2O"	-35.012676
"1395186"	637.2438	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H-H2O"	-17.0027
"296693"	1309.500276	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+H"	1.007276
"682919"	1963.746776	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+H"	1.007276
"1359266"	655.253776	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H"	1.007276
"132156"	655.253776	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+2H"	2.014552
"567340"	982.377026	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+2H"	2.014552
"1042703"	328.130526	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2H"	2.014552
"207688"	437.171609333333	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+3H"	3.021828
"656729"	655.253776	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+3H"	3.021828
"1168291"	219.089442666667	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+3H"	3.021828
"429380"	1326.526823	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+NH4"	18.033823
"788916"	1980.773323	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+NH4"	18.033823
"1681842"	672.280323	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+NH4"	18.033823
"334984"	663.7670495	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+H+NH4"	19.041099
"727408"	990.8902995	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+H+NH4"	19.041099
"1485602"	336.6437995	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H+NH4"	19.041099
"395533"	1331.482218	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+Na"	22.989218
"755431"	1985.728718	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+Na"	22.989218
"1610097"	677.235718	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Na"	22.989218
"325606"	666.244747	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+H+Na"	23.996494
"720216"	993.367997	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+H+Na"	23.996494
"1472948"	339.121497	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H+Na"	23.996494
"1065825"	226.416756666667	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2H+Na"	25.00377
"1269326"	687.279986	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+CH3OH+H"	33.033486
"389726"	1347.456158	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+K"	38.963158
"752543"	2001.702658	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+K"	38.963158
"1552774"	693.209658	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+K"	38.963158
"311773"	674.231717	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+H+K"	39.970434
"703100"	1001.354967	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+H+K"	39.970434
"1460695"	347.108467	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H+K"	39.970434
"250266"	1350.526826	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+ACN+H"	42.033826
"1225161"	696.280326	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+ACN+H"	42.033826
"1198108"	348.643801	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+ACN+2H"	43.041102
"194260"	1353.46416	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+2Na-H"	44.97116
"633820"	2007.71066	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+2Na-H"	44.97116
"1136232"	699.21766	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2Na-H"	44.97116
"174055"	677.235718	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+2Na"	45.978436
"617989"	1004.358968	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+2Na"	45.978436
"1123682"	350.112468	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2Na"	45.978436
"1407205"	233.744070666667	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H+2Na"	46.985712
"1439318"	701.259246	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H+HCOOH"	47.012746
"231201"	682.26874	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+3H2O+2H"	56.04448
"1514895"	715.31129	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+IsoProp+H"	61.06479
"416769"	685.222688	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+Na+K"	61.952376
"779586"	1012.345938	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+Na+K"	61.952376
"1673003"	358.099438	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Na+K"	61.952376
"258426"	1372.508768	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+ACN+Na"	64.015768
"1234415"	718.262268	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+ACN+Na"	64.015768
"1713945"	718.285793	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+NH4+HCOOH"	64.039293
"1183188"	241.071384666667	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+3Na"	68.967654
"1653808"	723.241188	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Na+HCOOH"	68.994688
"160670"	1385.41204	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+2K-H"	76.91904
"601323"	2039.65854	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+2K-H"	76.91904
"1087297"	731.16554	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2K-H"	76.91904
"146297"	693.209658	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"2M+2K"	77.926316
"585856"	1020.332908	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"3M+2K"	77.926316
"1070738"	366.086408	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2K"	77.926316
"1107957"	733.180092	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2K+H"	78.933592
"1347995"	733.267707	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+DMSO+H"	79.021207
"1013971"	737.306876	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2ACN+H"	83.060376
"1533189"	738.300508	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+IsoProp+Na+H"	84.054008
"997448"	369.157076	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+2ACN+2H"	84.067652
"1597420"	739.215128	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+K+HCOOH"	84.968628
"1419800"	769.246638	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+H+CF3COOH"	115.000138
"1152275"	389.670351	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+3ACN+2H"	125.094202
"1701827"	786.273185	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+NH4+CF3COOH"	132.026685
"1639664"	791.22858	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+Na+CF3COOH"	136.98208
"1579695"	807.20252	"C09134"	"Mezerein"	"C38H38O10"	"654.2465"	"M+K+CF3COOH"	152.95602
"810059"	560.3349	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M"	0
"989601"	541.31651	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-H2O-H"	-19.01839
"78247"	372.549324	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M-3H"	-3.021828
"517729"	559.327624	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M-3H"	-3.021828
"894917"	185.771024	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-3H"	-3.021828
"13245"	559.327624	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M-2H"	-2.014552
"450616"	839.495074	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M-2H"	-2.014552
"824043"	279.160174	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-2H"	-2.014552
"82939"	1119.662524	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M-H"	-1.007276
"523592"	1679.997424	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M-H"	-1.007276
"899209"	559.327624	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-H"	-1.007276
"52488"	1136.689071	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M-2H+NH4"	16.019271
"488889"	1697.023971	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M-2H+NH4"	16.019271
"865477"	576.354171	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-2H+NH4"	16.019271
"33736"	1141.644466	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M-2H+Na"	20.974666
"473538"	1701.979366	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M-2H+Na"	20.974666
"850741"	581.309566	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-2H+Na"	20.974666
"1620272"	581.309566	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Na-2H"	20.974666
"103371"	577.315963	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M-H+Cl"	33.962126
"541836"	857.483413	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M-H+Cl"	33.962126
"940458"	297.148513	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-H+Cl"	33.962126
"281820"	1155.639202	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+Cl"	34.969402
"674608"	1715.974102	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+Cl"	34.969402
"1284211"	595.304302	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Cl"	34.969402
"25672"	1157.618406	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M-2H+K"	36.948606
"460494"	1717.953306	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M-2H+K"	36.948606
"836836"	597.283506	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-2H+K"	36.948606
"1558871"	597.283506	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+K-2H"	36.948606
"946753"	605.333094	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-H+HCOOH"	44.998194
"370441"	1165.668001	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+HCOOH-H"	44.998201
"352135"	1179.683651	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+Hac-H"	59.013851
"1502791"	619.348751	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Hac-H"	59.013851
"966320"	627.315051	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-H+NaCOOH"	66.980151
"118508"	595.304302	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+2Cl"	69.938804
"553332"	875.471752	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+2Cl"	69.938804
"1024686"	315.136852	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2Cl"	69.938804
"1246449"	639.253785	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Br"	78.918885
"1307076"	641.309772	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Cl+HCOOH"	80.974872
"1328584"	663.291729	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Cl+NaCOOH"	102.956829
"924018"	673.320486	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M-H+CF3COOH"	112.985586
"1301820"	709.297164	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Cl+CF3COOH"	148.962264
"1377795"	525.322224	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H-2H2O"	-35.012676
"1397241"	543.3322	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H-H2O"	-17.0027
"297166"	1121.677076	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+H"	1.007276
"690682"	1682.011976	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+H"	1.007276
"1363750"	561.342176	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H"	1.007276
"133360"	561.342176	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+2H"	2.014552
"572919"	841.509626	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+2H"	2.014552
"1043907"	281.174726	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2H"	2.014552
"215090"	374.563876	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+3H"	3.021828
"655747"	561.342176	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+3H"	3.021828
"1174962"	187.785576	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+3H"	3.021828
"429490"	1138.703623	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+NH4"	18.033823
"791579"	1699.038523	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+NH4"	18.033823
"1684263"	578.368723	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+NH4"	18.033823
"335094"	569.8554495	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+H+NH4"	19.041099
"728243"	850.0228995	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+H+NH4"	19.041099
"1486805"	289.6879995	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H+NH4"	19.041099
"403297"	1143.659018	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+Na"	22.989218
"756998"	1703.993918	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+Na"	22.989218
"1606927"	583.324118	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Na"	22.989218
"327538"	572.333147	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+H+Na"	23.996494
"719238"	852.500597	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+H+Na"	23.996494
"1474151"	292.165697	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H+Na"	23.996494
"1065210"	195.11289	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2H+Na"	25.00377
"1270163"	593.368386	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+CH3OH+H"	33.033486
"390200"	1159.632958	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+K"	38.963158
"751558"	1719.967858	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+K"	38.963158
"1553980"	599.298058	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+K"	38.963158
"313711"	580.320117	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+H+K"	39.970434
"707011"	860.487567	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+H+K"	39.970434
"1461013"	300.152667	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H+K"	39.970434
"251281"	1162.703626	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+ACN+H"	42.033826
"1216521"	602.368726	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+ACN+H"	42.033826
"1201499"	301.688001	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+ACN+2H"	43.041102
"201297"	1165.64096	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+2Na-H"	44.97116
"631744"	1725.97586	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+2Na-H"	44.97116
"1137438"	605.30606	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2Na-H"	44.97116
"185467"	583.324118	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+2Na"	45.978436
"623567"	863.491568	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+2Na"	45.978436
"1130358"	303.156668	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2Na"	45.978436
"1413516"	202.440204	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H+2Na"	46.985712
"1442708"	607.347646	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H+HCOOH"	47.012746
"229124"	588.35714	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+3H2O+2H"	56.04448
"1512819"	621.39969	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+IsoProp+H"	61.06479
"420160"	591.311088	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+Na+K"	61.952376
"778971"	871.478538	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+Na+K"	61.952376
"1679315"	311.143638	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Na+K"	61.952376
"262186"	1184.685568	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+ACN+Na"	64.015768
"1235620"	624.350668	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+ACN+Na"	64.015768
"1720130"	624.374193	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+NH4+HCOOH"	64.039293
"1184392"	209.767518	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+3Na"	68.967654
"1653918"	629.329588	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Na+HCOOH"	68.994688
"160780"	1197.58884	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+2K-H"	76.91904
"599975"	1757.92374	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+2K-H"	76.91904
"1087771"	637.25394	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2K-H"	76.91904
"146771"	599.298058	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"2M+2K"	77.926316
"585967"	879.465508	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"3M+2K"	77.926316
"1070484"	319.130608	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2K"	77.926316
"1108067"	639.268492	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2K+H"	78.933592
"1348105"	639.356107	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+DMSO+H"	79.021207
"1016634"	643.395276	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2ACN+H"	83.060376
"1535853"	644.388908	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+IsoProp+Na+H"	84.054008
"999745"	322.201276	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+2ACN+2H"	84.067652
"1597530"	645.303528	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+K+HCOOH"	84.968628
"1419910"	675.335038	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+H+CF3COOH"	115.000138
"1153478"	342.714551	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+3ACN+2H"	125.094202
"1701937"	692.361585	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+NH4+CF3COOH"	132.026685
"1639774"	697.31698	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+Na+CF3COOH"	136.98208
"1579805"	713.29092	"C09135"	"Montanin"	"C32H48O8"	"560.3349"	"M+K+CF3COOH"	152.95602
"810169"	312.1362	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M"	0
"988811"	293.11781	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-H2O-H"	-19.01839
"75231"	207.083524	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M-3H"	-3.021828
"516979"	311.128924	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M-3H"	-3.021828
"894416"	103.038124	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-3H"	-3.021828
"12261"	311.128924	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M-2H"	-2.014552
"451819"	467.197024	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M-2H"	-2.014552
"824152"	155.060824	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-2H"	-2.014552
"81226"	623.265124	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M-H"	-1.007276
"522609"	935.401324	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M-H"	-1.007276
"898226"	311.128924	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-H"	-1.007276
"47569"	640.291671	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M-2H+NH4"	16.019271
"487660"	952.427871	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M-2H+NH4"	16.019271
"864409"	328.155471	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-2H+NH4"	16.019271
"32750"	645.247066	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M-2H+Na"	20.974666
"472555"	957.383266	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M-2H+Na"	20.974666
"849144"	333.110866	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-2H+Na"	20.974666
"1619284"	333.110866	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Na-2H"	20.974666
"102388"	329.117263	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M-H+Cl"	33.962126
"539760"	485.185363	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M-H+Cl"	33.962126
"941660"	173.049163	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-H+Cl"	33.962126
"281687"	659.241802	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+Cl"	34.969402
"674478"	971.378002	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+Cl"	34.969402
"1284321"	347.105602	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Cl"	34.969402
"25782"	661.221006	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M-2H+K"	36.948606
"459876"	973.357206	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M-2H+K"	36.948606
"838768"	349.084806	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-2H+K"	36.948606
"1557888"	349.084806	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+K-2H"	36.948606
"945768"	357.134394	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-H+HCOOH"	44.998194
"367271"	669.270601	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+HCOOH-H"	44.998201
"351152"	683.286251	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+Hac-H"	59.013851
"1499985"	371.150051	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Hac-H"	59.013851
"960599"	379.116351	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-H+NaCOOH"	66.980151
"116432"	347.105602	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+2Cl"	69.938804
"553807"	503.173702	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+2Cl"	69.938804
"1024794"	191.037502	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2Cl"	69.938804
"1249839"	391.055085	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Br"	78.918885
"1311195"	393.111072	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Cl+HCOOH"	80.974872
"1328694"	415.093029	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Cl+NaCOOH"	102.956829
"924128"	425.121786	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M-H+CF3COOH"	112.985586
"1298650"	461.098464	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Cl+CF3COOH"	148.962264
"1377905"	277.123524	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H-2H2O"	-35.012676
"1397473"	295.1335	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H-H2O"	-17.0027
"297276"	625.279676	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+H"	1.007276
"690428"	937.415876	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+H"	1.007276
"1364953"	313.143476	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H"	1.007276
"131283"	313.143476	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+2H"	2.014552
"573029"	469.211576	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+2H"	2.014552
"1041100"	157.075376	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2H"	2.014552
"210827"	209.098076	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+3H"	3.021828
"651483"	313.143476	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+3H"	3.021828
"1170699"	105.052676	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+3H"	3.021828
"430691"	642.306223	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+NH4"	18.033823
"787677"	954.442423	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+NH4"	18.033823
"1682304"	330.170023	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+NH4"	18.033823
"331067"	321.6567495	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+H+NH4"	19.041099
"724708"	477.7248495	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+H+NH4"	19.041099
"1479255"	165.5886495	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H+NH4"	19.041099
"396846"	647.261618	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+Na"	22.989218
"756015"	959.397818	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+Na"	22.989218
"1607037"	335.125418	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Na"	22.989218
"326919"	324.134447	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+H+Na"	23.996494
"720800"	480.202547	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+H+Na"	23.996494
"1467693"	168.066347	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H+Na"	23.996494
"1066047"	112.37999	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2H+Na"	25.00377
"1268085"	345.169686	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+CH3OH+H"	33.033486
"391039"	663.235558	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+K"	38.963158
"752033"	975.371758	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+K"	38.963158
"1553968"	351.099358	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+K"	38.963158
"313942"	332.121417	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+H+K"	39.970434
"706852"	488.189517	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+H+K"	39.970434
"1460313"	176.053317	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H+K"	39.970434
"251293"	666.306226	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+ACN+H"	42.033826
"1216631"	354.170026	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+ACN+H"	42.033826
"1203796"	177.588651	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+ACN+2H"	43.041102
"202136"	669.24356	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+2Na-H"	44.97116
"632947"	981.37976	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+2Na-H"	44.97116
"1137548"	357.10736	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2Na-H"	44.97116
"184117"	335.125418	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+2Na"	45.978436
"623677"	491.193518	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+2Na"	45.978436
"1130829"	179.057318	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2Na"	45.978436
"1412533"	119.707304	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H+2Na"	46.985712
"1444763"	359.148946	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H+HCOOH"	47.012746
"229234"	340.15844	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+3H2O+2H"	56.04448
"1515115"	373.20099	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+IsoProp+H"	61.06479
"421000"	343.112388	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+Na+K"	61.952376
"781996"	499.180488	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+Na+K"	61.952376
"1679062"	187.044288	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Na+K"	61.952376
"264119"	688.288168	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+ACN+Na"	64.015768
"1236459"	376.151968	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+ACN+Na"	64.015768
"1719147"	376.175493	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+NH4+HCOOH"	64.039293
"1184502"	127.034618	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+3Na"	68.967654
"1654028"	381.130888	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Na+HCOOH"	68.994688
"160890"	701.19144	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+2K-H"	76.91904
"603365"	1013.32764	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+2K-H"	76.91904
"1089338"	389.05524	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2K-H"	76.91904
"145059"	351.099358	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"2M+2K"	77.926316
"589360"	507.167458	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"3M+2K"	77.926316
"1074966"	195.031258	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2K"	77.926316
"1108175"	391.069792	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2K+H"	78.933592
"1348944"	391.157407	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+DMSO+H"	79.021207
"1018201"	395.196576	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2ACN+H"	83.060376
"1535962"	396.190208	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+IsoProp+Na+H"	84.054008
"1002411"	198.101926	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+2ACN+2H"	84.067652
"1598733"	397.104828	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+K+HCOOH"	84.968628
"1420020"	427.136338	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+H+CF3COOH"	115.000138
"1154682"	218.615201	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+3ACN+2H"	125.094202
"1702047"	444.162885	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+NH4+CF3COOH"	132.026685
"1638791"	449.11828	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+Na+CF3COOH"	136.98208
"1579915"	465.09222	"C09136"	"Montanin A"	"C19H20O4"	"312.1362"	"M+K+CF3COOH"	152.95602
"812466"	352.2614	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M"	0
"989904"	333.24301	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-H2O-H"	-19.01839
"78526"	233.833657333333	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M-3H"	-3.021828
"518521"	351.254124	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M-3H"	-3.021828
"895486"	116.413190666667	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-3H"	-3.021828
"14193"	351.254124	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M-2H"	-2.014552
"451929"	527.384824	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M-2H"	-2.014552
"826449"	175.123424	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-2H"	-2.014552
"86439"	703.515524	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M-H"	-1.007276
"523813"	1055.776924	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M-H"	-1.007276
"898336"	351.254124	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-H"	-1.007276
"47355"	720.542071	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M-2H+NH4"	16.019271
"487163"	1072.803471	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M-2H+NH4"	16.019271
"864723"	368.280671	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-2H+NH4"	16.019271
"33224"	725.497466	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M-2H+Na"	20.974666
"471693"	1077.758866	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M-2H+Na"	20.974666
"848564"	373.236066	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-2H+Na"	20.974666
"1618702"	373.236066	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Na-2H"	20.974666
"98120"	369.242463	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M-H+Cl"	33.962126
"539869"	545.373163	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M-H+Cl"	33.962126
"938855"	193.111763	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-H+Cl"	33.962126
"282691"	739.492202	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+Cl"	34.969402
"675482"	1091.753602	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+Cl"	34.969402
"1285161"	387.230802	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Cl"	34.969402
"26987"	741.471406	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M-2H+K"	36.948606
"463266"	1093.732806	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M-2H+K"	36.948606
"838881"	389.210006	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-2H+K"	36.948606
"1559455"	389.210006	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+K-2H"	36.948606
"948066"	397.259594	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-H+HCOOH"	44.998194
"370662"	749.521001	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+HCOOH-H"	44.998201
"353451"	763.536651	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+Hac-H"	59.013851
"1503377"	411.275251	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Hac-H"	59.013851
"963261"	419.241551	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-H+NaCOOH"	66.980151
"115449"	387.230802	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+2Cl"	69.938804
"553917"	563.361502	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+2Cl"	69.938804
"1025997"	211.100102	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2Cl"	69.938804
"1251043"	431.180285	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Br"	78.918885
"1314585"	433.236272	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Cl+HCOOH"	80.974872
"1330991"	455.218229	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Cl+NaCOOH"	102.956829
"925576"	465.246986	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M-H+CF3COOH"	112.985586
"1298761"	501.223664	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Cl+CF3COOH"	148.962264
"1380202"	317.248724	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H-2H2O"	-35.012676
"1395513"	335.2587	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H-H2O"	-17.0027
"297873"	705.530076	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+H"	1.007276
"688713"	1057.791476	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+H"	1.007276
"1360694"	353.268676	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H"	1.007276
"136863"	353.268676	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+2H"	2.014552
"576423"	529.399376	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+2H"	2.014552
"1048503"	177.137976	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2H"	2.014552
"209111"	235.848209333333	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+3H"	3.021828
"651589"	353.268676	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+3H"	3.021828
"1172996"	118.427742666667	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+3H"	3.021828
"434081"	722.556623	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+NH4"	18.033823
"792160"	1074.818023	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+NH4"	18.033823
"1690316"	370.295223	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+NH4"	18.033823
"332394"	361.7819495	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+H+NH4"	19.041099
"725181"	537.9126495	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+H+NH4"	19.041099
"1479364"	185.6512495	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H+NH4"	19.041099
"395134"	727.512018	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+Na"	22.989218
"757221"	1079.773418	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+Na"	22.989218
"1604222"	375.250618	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Na"	22.989218
"321561"	364.259647	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+H+Na"	23.996494
"716170"	540.390347	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+H+Na"	23.996494
"1464520"	188.128947	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H+Na"	23.996494
"1063236"	125.755056666667	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2H+Na"	25.00377
"1262727"	385.294886	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+CH3OH+H"	33.033486
"385677"	743.485958	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+K"	38.963158
"749953"	1095.747358	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+K"	38.963158
"1544351"	391.224558	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+K"	38.963158
"312466"	372.246617	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+H+K"	39.970434
"703794"	548.377317	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+H+K"	39.970434
"1457613"	196.115917	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H+K"	39.970434
"244027"	746.556626	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+ACN+H"	42.033826
"1223299"	394.295226	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+ACN+H"	42.033826
"1208278"	197.651251	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+ACN+2H"	43.041102
"195683"	749.49396	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+2Na-H"	44.97116
"637429"	1101.75536	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+2Na-H"	44.97116
"1140937"	397.23256	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2Na-H"	44.97116
"185318"	375.250618	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+2Na"	45.978436
"626945"	551.381318	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+2Na"	45.978436
"1127291"	199.119918	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2Na"	45.978436
"1409721"	133.082370666667	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H+2Na"	46.985712
"1443658"	399.274146	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H+HCOOH"	47.012746
"234446"	380.28364	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+3H2O+2H"	56.04448
"1518505"	413.32619	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+IsoProp+H"	61.06479
"421473"	383.237588	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+Na+K"	61.952376
"782469"	559.368288	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+Na+K"	61.952376
"1679172"	207.106888	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Na+K"	61.952376
"265199"	768.538568	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+ACN+Na"	64.015768
"1234747"	416.277168	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+ACN+Na"	64.015768
"1719256"	416.300693	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+NH4+HCOOH"	64.039293
"1182424"	140.409684666667	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+3Na"	68.967654
"1658877"	421.256088	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Na+HCOOH"	68.994688
"164646"	781.44184	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+2K-H"	76.91904
"605298"	1133.70324	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+2K-H"	76.91904
"1093094"	429.18044	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2K-H"	76.91904
"149909"	391.224558	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"2M+2K"	77.926316
"592750"	567.355258	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"3M+2K"	77.926316
"1082732"	215.093858	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2K"	77.926316
"1113025"	431.194992	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2K+H"	78.933592
"1349420"	431.282607	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+DMSO+H"	79.021207
"1020132"	435.321776	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2ACN+H"	83.060376
"1537895"	436.315408	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+IsoProp+Na+H"	84.054008
"1004344"	218.164526	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+2ACN+2H"	84.067652
"1601766"	437.230028	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+K+HCOOH"	84.968628
"1422317"	467.261538	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+H+CF3COOH"	115.000138
"1158073"	238.677801	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+3ACN+2H"	125.094202
"1702157"	484.288085	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+NH4+CF3COOH"	132.026685
"1638901"	489.24348	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+Na+CF3COOH"	136.98208
"1580025"	505.21742	"C09137"	"Montanol"	"C21H36O4"	"352.2614"	"M+K+CF3COOH"	152.95602
"810389"	362.1366	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M"	0
"986114"	343.11821	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-H2O-H"	-19.01839
"75450"	240.417124	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M-3H"	-3.021828
"513917"	361.129324	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M-3H"	-3.021828
"890625"	119.704924	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-3H"	-3.021828
"14303"	361.129324	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M-2H"	-2.014552
"452040"	542.197624	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M-2H"	-2.014552
"828748"	180.061024	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-2H"	-2.014552
"83269"	723.265924	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M-H"	-1.007276
"523923"	1085.402524	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M-H"	-1.007276
"897228"	361.129324	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-H"	-1.007276
"47468"	740.292471	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M-2H+NH4"	16.019271
"487113"	1102.429071	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M-2H+NH4"	16.019271
"864295"	378.155871	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-2H+NH4"	16.019271
"32238"	745.247866	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M-2H+Na"	20.974666
"471408"	1107.384466	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M-2H+Na"	20.974666
"848595"	383.111266	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-2H+Na"	20.974666
"1618551"	383.111266	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Na-2H"	20.974666
"101509"	379.117663	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M-H+Cl"	33.962126
"539976"	560.185963	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M-H+Cl"	33.962126
"932401"	198.049363	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-H+Cl"	33.962126
"282639"	759.242602	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+Cl"	34.969402
"675468"	1121.379202	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+Cl"	34.969402
"1287458"	397.106002	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Cl"	34.969402
"28190"	761.221806	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M-2H+K"	36.948606
"466294"	1123.358406	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M-2H+K"	36.948606
"843002"	399.085206	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-2H+K"	36.948606
"1568675"	399.085206	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+K-2H"	36.948606
"953643"	407.134794	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-H+HCOOH"	44.998194
"367485"	769.271401	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+HCOOH-H"	44.998201
"352464"	783.287051	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+Hac-H"	59.013851
"1500205"	421.150451	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Hac-H"	59.013851
"961185"	429.116751	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-H+NaCOOH"	66.980151
"115559"	397.106002	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+2Cl"	69.938804
"552934"	578.174302	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+2Cl"	69.938804
"1028293"	216.037702	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2Cl"	69.938804
"1248967"	441.055485	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Br"	78.918885
"1314695"	443.111472	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Cl+HCOOH"	80.974872
"1327821"	465.093429	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Cl+NaCOOH"	102.956829
"924348"	475.122186	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M-H+CF3COOH"	112.985586
"1295590"	511.098864	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Cl+CF3COOH"	148.962264
"1381405"	327.123924	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H-2H2O"	-35.012676
"1394529"	345.1339	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H-H2O"	-17.0027
"297862"	725.280476	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+H"	1.007276
"688823"	1087.417076	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+H"	1.007276
"1361898"	363.143876	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H"	1.007276
"136974"	363.143876	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+2H"	2.014552
"575440"	544.212176	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+2H"	2.014552
"1050437"	182.075576	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2H"	2.014552
"209221"	242.431676	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+3H"	3.021828
"649147"	363.143876	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+3H"	3.021828
"1173105"	121.719476	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+3H"	3.021828
"431275"	742.307023	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+NH4"	18.033823
"795188"	1104.443623	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+NH4"	18.033823
"1688603"	380.170423	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+NH4"	18.033823
"334329"	371.6571495	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+H+NH4"	19.041099
"727843"	552.7254495	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+H+NH4"	19.041099
"1478744"	190.5888495	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H+NH4"	19.041099
"394148"	747.262418	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+Na"	22.989218
"758059"	1109.399018	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+Na"	22.989218
"1603358"	385.125818	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Na"	22.989218
"321668"	374.134847	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+H+Na"	23.996494
"716280"	555.203147	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+H+Na"	23.996494
"1463537"	193.066547	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H+Na"	23.996494
"1063346"	129.04679	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2H+Na"	25.00377
"1262837"	395.170086	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+CH3OH+H"	33.033486
"385787"	763.236358	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+K"	38.963158
"747876"	1125.372958	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+K"	38.963158
"1549929"	401.099758	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+K"	38.963158
"311118"	382.121817	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+H+K"	39.970434
"701717"	563.190117	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+H+K"	39.970434
"1460519"	201.053517	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H+K"	39.970434
"246325"	766.307026	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+ACN+H"	42.033826
"1223409"	404.170426	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+ACN+H"	42.033826
"1206201"	202.588851	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+ACN+2H"	43.041102
"190326"	769.24436	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+2Na-H"	44.97116
"644106"	1131.38096	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+2Na-H"	44.97116
"1143232"	407.10776	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2Na-H"	44.97116
"187494"	385.125818	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+2Na"	45.978436
"627057"	566.194118	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+2Na"	45.978436
"1128495"	204.057518	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2Na"	45.978436
"1412627"	136.374104	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H+2Na"	46.985712
"1444502"	409.149346	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H+HCOOH"	47.012746
"229454"	390.15884	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+3H2O+2H"	56.04448
"1516430"	423.20139	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+IsoProp+H"	61.06479
"420489"	393.112788	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+Na+K"	61.952376
"782579"	574.181088	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+Na+K"	61.952376
"1677820"	212.044488	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Na+K"	61.952376
"264337"	788.288968	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+ACN+Na"	64.015768
"1233763"	426.152368	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+ACN+Na"	64.015768
"1716086"	426.175893	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+NH4+HCOOH"	64.039293
"1182534"	143.701418	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+3Na"	68.967654
"1656435"	431.131288	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Na+HCOOH"	68.994688
"164756"	801.19224	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+2K-H"	76.91904
"605409"	1163.32884	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+2K-H"	76.91904
"1091381"	439.05564	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2K-H"	76.91904
"146739"	401.099758	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"2M+2K"	77.926316
"592860"	582.168058	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"3M+2K"	77.926316
"1081746"	220.031458	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2K"	77.926316
"1112406"	441.070192	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2K+H"	78.933592
"1348432"	441.157807	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+DMSO+H"	79.021207
"1016595"	445.196976	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2ACN+H"	83.060376
"1536180"	446.190608	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+IsoProp+Na+H"	84.054008
"1002628"	223.102126	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+2ACN+2H"	84.067652
"1600046"	447.105228	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+K+HCOOH"	84.968628
"1419147"	477.136738	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+H+CF3COOH"	115.000138
"1151622"	243.615401	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+3ACN+2H"	125.094202
"1701174"	494.163285	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+NH4+CF3COOH"	132.026685
"1639011"	499.11868	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+Na+CF3COOH"	136.98208
"1580135"	515.09262	"C09138"	"Nagilactone C"	"C19H22O7"	"362.1366"	"M+K+CF3COOH"	152.95602
"810499"	338.1994	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M"	0
"985131"	319.18101	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-H2O-H"	-19.01839
"73373"	224.458990666667	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M-3H"	-3.021828
"510747"	337.192124	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M-3H"	-3.021828
"889642"	111.725857333333	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-3H"	-3.021828
"14292"	337.192124	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M-2H"	-2.014552
"451786"	506.291824	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M-2H"	-2.014552
"828858"	168.092424	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-2H"	-2.014552
"83379"	675.391524	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M-H"	-1.007276
"525126"	1013.590924	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M-H"	-1.007276
"896853"	337.192124	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-H"	-1.007276
"47295"	692.418071	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M-2H+NH4"	16.019271
"487981"	1030.617471	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M-2H+NH4"	16.019271
"864690"	354.218671	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-2H+NH4"	16.019271
"32105"	697.373466	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M-2H+Na"	20.974666
"472396"	1035.572866	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M-2H+Na"	20.974666
"848740"	359.174066	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-2H+Na"	20.974666
"1619249"	359.174066	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Na-2H"	20.974666
"101619"	355.180463	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M-H+Cl"	33.962126
"537900"	524.280163	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M-H+Cl"	33.962126
"932511"	186.080763	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-H+Cl"	33.962126
"281650"	711.368202	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+Cl"	34.969402
"675166"	1049.567602	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+Cl"	34.969402
"1284288"	373.168802	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Cl"	34.969402
"27207"	713.347406	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M-2H+K"	36.948606
"465675"	1051.546806	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M-2H+K"	36.948606
"841289"	375.148006	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-2H+K"	36.948606
"1568056"	375.148006	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+K-2H"	36.948606
"955211"	383.197594	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-H+HCOOH"	44.998194
"369782"	721.397001	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+HCOOH-H"	44.998201
"350386"	735.412651	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+Hac-H"	59.013851
"1498128"	397.213251	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Hac-H"	59.013851
"958701"	405.179551	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-H+NaCOOH"	66.980151
"114576"	373.168802	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+2Cl"	69.938804
"551222"	542.268502	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+2Cl"	69.938804
"1026217"	204.069102	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2Cl"	69.938804
"1249077"	417.118285	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Br"	78.918885
"1311524"	419.174272	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Cl+HCOOH"	80.974872
"1329024"	441.156229	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Cl+NaCOOH"	102.956829
"924458"	451.184986	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M-H+CF3COOH"	112.985586
"1295700"	487.161664	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Cl+CF3COOH"	148.962264
"1378235"	303.186724	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H-2H2O"	-35.012676
"1391360"	321.1967	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H-H2O"	-17.0027
"295419"	677.406076	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+H"	1.007276
"684560"	1015.605476	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+H"	1.007276
"1363100"	339.206676	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H"	1.007276
"137811"	339.206676	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+2H"	2.014552
"575549"	508.306376	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+2H"	2.014552
"1049814"	170.106976	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2H"	2.014552
"208967"	226.473542666667	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+3H"	3.021828
"649986"	339.206676	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+3H"	3.021828
"1173215"	113.740409333333	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+3H"	3.021828
"431385"	694.432623	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+NH4"	18.033823
"795298"	1032.632023	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+NH4"	18.033823
"1687619"	356.233223	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+NH4"	18.033823
"333710"	347.7199495	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+H+NH4"	19.041099
"727954"	516.8196495	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+H+NH4"	19.041099
"1478490"	178.6202495	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H+NH4"	19.041099
"397539"	699.388018	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+Na"	22.989218
"758170"	1037.587418	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+Na"	22.989218
"1606264"	361.188618	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Na"	22.989218
"320683"	350.197647	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+H+Na"	23.996494
"709818"	519.297347	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+H+Na"	23.996494
"1462300"	181.097947	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H+Na"	23.996494
"1060176"	121.067723333333	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2H+Na"	25.00377
"1264040"	371.232886	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+CH3OH+H"	33.033486
"384802"	715.361958	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+K"	38.963158
"747986"	1053.561358	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+K"	38.963158
"1550039"	377.162558	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+K"	38.963158
"310499"	358.184617	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+H+K"	39.970434
"704014"	527.284317	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+H+K"	39.970434
"1459658"	189.084917	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H+K"	39.970434
"249962"	718.432626	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+ACN+H"	42.033826
"1224006"	380.233226	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+ACN+H"	42.033826
"1205217"	190.620251	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+ACN+2H"	43.041102
"190436"	721.36996	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+2Na-H"	44.97116
"643725"	1059.56936	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+2Na-H"	44.97116
"1142248"	383.17056	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2Na-H"	44.97116
"186631"	361.188618	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+2Na"	45.978436
"626803"	530.288318	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+2Na"	45.978436
"1127511"	192.088918	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2Na"	45.978436
"1412981"	128.395037333333	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H+2Na"	46.985712
"1444613"	385.212146	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H+HCOOH"	47.012746
"230657"	366.22164	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+3H2O+2H"	56.04448
"1517633"	399.26419	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+IsoProp+H"	61.06479
"420235"	369.175588	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+Na+K"	61.952376
"779406"	538.275288	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+Na+K"	61.952376
"1677564"	200.075888	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Na+K"	61.952376
"262991"	740.414568	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+ACN+Na"	64.015768
"1233508"	402.215168	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+ACN+Na"	64.015768
"1716196"	402.238693	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+NH4+HCOOH"	64.039293
"1180457"	135.722351333333	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+3Na"	68.967654
"1656545"	407.194088	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Na+HCOOH"	68.994688
"159032"	753.31784	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+2K-H"	76.91904
"604426"	1091.51724	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+2K-H"	76.91904
"1091127"	415.11844	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2K-H"	76.91904
"146848"	377.162558	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"2M+2K"	77.926316
"592970"	546.262258	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"3M+2K"	77.926316
"1080399"	208.062858	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2K"	77.926316
"1111422"	417.132992	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2K+H"	78.933592
"1348907"	417.220607	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+DMSO+H"	79.021207
"1016341"	421.259776	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2ACN+H"	83.060376
"1535561"	422.253408	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+IsoProp+Na+H"	84.054008
"1003102"	211.133526	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+2ACN+2H"	84.067652
"1597970"	423.168028	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+K+HCOOH"	84.968628
"1419257"	453.199538	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+H+CF3COOH"	115.000138
"1151732"	231.646801	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+3ACN+2H"	125.094202
"1701284"	470.226085	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+NH4+CF3COOH"	132.026685
"1639121"	475.18148	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+Na+CF3COOH"	136.98208
"1580245"	491.15542	"C09139"	"Coronaridine;(-)-Coronaridine"	"C21H26N2O2"	"338.1994"	"M+K+CF3COOH"	152.95602
"809516"	272.2504	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M"	0
"987427"	253.23201	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"73483"	180.492990666667	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"514137"	271.243124	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"895413"	89.7428573333333	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"15594"	271.243124	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"454327"	407.368324	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"830061"	135.117924	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"83854"	543.493524	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"525237"	815.743924	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"896963"	271.243124	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"50123"	560.520071	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"488222"	832.770471	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"866390"	288.269671	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"32224"	565.475466	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"477861"	837.725866	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"849337"	293.225066	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1619281"	293.225066	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"98449"	289.231463	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"540197"	425.356663	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"932621"	153.106263	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"281885"	579.470202	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"674059"	851.720602	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1286585"	307.219802	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"27317"	581.449406	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"466878"	853.699806	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"844679"	309.199006	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1569259"	309.199006	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"954956"	317.248594	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"372078"	589.499001	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"352683"	603.514651	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1497145"	331.264251	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"959582"	339.230551	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"113593"	307.219802	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"556434"	443.345002	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1028515"	171.094602	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1252467"	351.169285	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1313821"	353.225272	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1325853"	375.207229	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"920194"	385.235986	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1299089"	421.212664	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1378345"	237.237724	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1390376"	255.2477	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"292248"	545.508076	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"687950"	817.758476	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1366126"	273.257676	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H"	1.007276
"138287"	273.257676	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"577845"	409.382876	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1051870"	137.132476	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"212358"	182.507542666667	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"652283"	273.257676	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1172233"	91.7574093333333	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"432590"	562.534623	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"797595"	834.785023	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1684813"	290.284223	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"331634"	281.7709495	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"727336"	417.8961495	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1479330"	145.6457495	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"397648"	567.490018	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"764840"	839.740418	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1610750"	295.239618	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"317142"	284.248647	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"709200"	420.373847	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1463746"	148.123447	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1062473"	99.0847233333333	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1261964"	305.283886	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"386005"	583.463958	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"745907"	855.714358	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1551971"	311.213558	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K"	38.963158
"311703"	292.235617	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"704489"	428.360817	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1458680"	156.110417	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"250684"	586.534626	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1221442"	314.284226	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1204234"	157.645751	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"193827"	589.47196	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"642864"	861.72236	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1145275"	317.22156	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"186504"	295.239618	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"624114"	431.364818	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1129688"	159.114418	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1411144"	106.412037333333	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1443750"	319.263146	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"229675"	300.27264	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1516650"	333.31519	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"419616"	303.226588	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"778423"	439.351788	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1675852"	167.101388	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"262369"	608.516568	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1233254"	336.266168	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1716306"	336.289693	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1180567"	113.739351333333	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1653375"	341.245088	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"160236"	621.41984	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"603806"	893.67024	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1089777"	349.16944	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"148052"	311.213558	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"590893"	447.338758	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1073219"	175.088358	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1102054"	351.183992	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1344641"	351.271607	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1013533"	355.310776	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1537858"	356.304408	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1002119"	178.159026	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1598079"	357.219028	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1421551"	387.250538	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1150748"	198.672301	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1701394"	404.277085	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1635951"	409.23248	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1580355"	425.20642	"C09140"	"Neocembrene;Cembrene A;(R)-Cembrene A;(1E5E9E12R)-159-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"810719"	334.1053	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M"	0
"984256"	315.08691	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-H2O-H"	-19.01839
"77603"	221.729590666667	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M-3H"	-3.021828
"515706"	333.098024	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M-3H"	-3.021828
"895050"	110.361157333333	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-3H"	-3.021828
"14269"	333.098024	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M-2H"	-2.014552
"453101"	500.150674	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M-2H"	-2.014552
"829078"	166.045374	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-2H"	-2.014552
"88704"	667.203324	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M-H"	-1.007276
"525347"	1001.308624	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M-H"	-1.007276
"899139"	333.098024	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-H"	-1.007276
"50233"	684.229871	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M-2H+NH4"	16.019271
"487602"	1018.335171	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M-2H+NH4"	16.019271
"865285"	350.124571	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-2H+NH4"	16.019271
"37317"	689.185266	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M-2H+Na"	20.974666
"477970"	1023.290566	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M-2H+Na"	20.974666
"850669"	355.079966	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-2H+Na"	20.974666
"1623118"	355.079966	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Na-2H"	20.974666
"98559"	351.086363	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M-H+Cl"	33.962126
"538121"	518.139013	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M-H+Cl"	33.962126
"932731"	184.033713	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-H+Cl"	33.962126
"282235"	703.180002	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+Cl"	34.969402
"673318"	1037.285302	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+Cl"	34.969402
"1285962"	369.074702	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Cl"	34.969402
"26333"	705.159206	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M-2H+K"	36.948606
"465890"	1039.264506	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M-2H+K"	36.948606
"841507"	371.053906	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-2H+K"	36.948606
"1561716"	371.053906	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+K-2H"	36.948606
"955067"	379.103494	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-H+HCOOH"	44.998194
"371091"	713.208801	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+HCOOH-H"	44.998201
"352789"	727.224451	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+Hac-H"	59.013851
"1497253"	393.119151	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Hac-H"	59.013851
"963699"	401.085451	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-H+NaCOOH"	66.980151
"112609"	369.074702	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+2Cl"	69.938804
"554355"	536.127352	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+2Cl"	69.938804
"1028624"	202.022052	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2Cl"	69.938804
"1251481"	413.024185	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Br"	78.918885
"1309556"	415.080172	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Cl+HCOOH"	80.974872
"1323775"	437.062129	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Cl+NaCOOH"	102.956829
"923584"	447.090886	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M-H+CF3COOH"	112.985586
"1301385"	483.067564	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Cl+CF3COOH"	148.962264
"1378453"	299.092624	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H-2H2O"	-35.012676
"1393764"	317.1026	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H-H2O"	-17.0027
"296730"	669.217876	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+H"	1.007276
"691099"	1003.323176	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+H"	1.007276
"1365502"	335.112576	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H"	1.007276
"139852"	335.112576	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+2H"	2.014552
"575764"	502.165226	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+2H"	2.014552
"1052097"	168.059926	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2H"	2.014552
"215750"	223.744142666667	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+3H"	3.021828
"659685"	335.112576	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+3H"	3.021828
"1171244"	112.375709333333	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+3H"	3.021828
"430142"	686.244423	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+NH4"	18.033823
"796610"	1020.349723	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+NH4"	18.033823
"1691848"	352.139123	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+NH4"	18.033823
"333929"	343.6258495	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+H+NH4"	19.041099
"731454"	510.6784995	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+H+NH4"	19.041099
"1478711"	176.5731995	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H+NH4"	19.041099
"395935"	691.199818	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+Na"	22.989218
"763857"	1025.305118	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+Na"	22.989218
"1607580"	357.094518	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Na"	22.989218
"315551"	346.103547	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+H+Na"	23.996494
"709309"	513.156197	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+H+Na"	23.996494
"1464588"	179.050897	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H+Na"	23.996494
"1064770"	119.703023333333	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2H+Na"	25.00377
"1267907"	367.138786	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+CH3OH+H"	33.033486
"386115"	707.173758	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+K"	38.963158
"746017"	1041.279058	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+K"	38.963158
"1552446"	373.068458	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+K"	38.963158
"312906"	354.090517	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+H+K"	39.970434
"705817"	521.143167	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+H+K"	39.970434
"1459155"	187.037867	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H+K"	39.970434
"250551"	710.244426	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+ACN+H"	42.033826
"1223378"	376.139126	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+ACN+H"	42.033826
"1204345"	188.573201	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+ACN+2H"	43.041102
"198310"	713.18176	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+2Na-H"	44.97116
"643216"	1047.28706	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+2Na-H"	44.97116
"1145024"	379.07646	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2Na-H"	44.97116
"187099"	357.094518	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+2Na"	45.978436
"624224"	524.147168	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+2Na"	45.978436
"1130896"	190.041868	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2Na"	45.978436
"1411255"	127.030337333333	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H+2Na"	46.985712
"1443857"	381.118046	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H+HCOOH"	47.012746
"226505"	362.12754	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+3H2O+2H"	56.04448
"1515664"	395.17009	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+IsoProp+H"	61.06479
"418630"	365.081488	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+Na+K"	61.952376
"775250"	532.134138	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+Na+K"	61.952376
"1673773"	198.028838	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Na+K"	61.952376
"261384"	732.226368	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+ACN+Na"	64.015768
"1232633"	398.121068	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+ACN+Na"	64.015768
"1712729"	398.144593	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+NH4+HCOOH"	64.039293
"1178483"	134.357651333333	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+3Na"	68.967654
"1650322"	403.099988	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Na+HCOOH"	68.994688
"160346"	745.12964	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+2K-H"	76.91904
"603917"	1079.23494	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+2K-H"	76.91904
"1088794"	411.02434	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2K-H"	76.91904
"143423"	373.068458	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"2M+2K"	77.926316
"582983"	540.121108	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"3M+2K"	77.926316
"1071141"	206.015808	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2K"	77.926316
"1100335"	413.038892	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2K+H"	78.933592
"1344022"	413.126507	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+DMSO+H"	79.021207
"1012550"	417.165676	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2ACN+H"	83.060376
"1536875"	418.159308	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+IsoProp+Na+H"	84.054008
"1003322"	209.086476	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+2ACN+2H"	84.067652
"1597096"	419.073928	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+K+HCOOH"	84.968628
"1420567"	449.105438	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+H+CF3COOH"	115.000138
"1150856"	229.599751	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+3ACN+2H"	125.094202
"1697247"	466.131985	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+NH4+CF3COOH"	132.026685
"1634276"	471.08738	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+Na+CF3COOH"	136.98208
"1580465"	487.06132	"C09141"	"Byakangelicin"	"C17H18O7"	"334.1053"	"M+K+CF3COOH"	152.95602
"810829"	232.1	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M"	0
"981086"	213.08161	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-H2O-H"	-19.01839
"75890"	153.726057333333	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M-3H"	-3.021828
"516544"	231.092724	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M-3H"	-3.021828
"894346"	76.3593906666667	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-3H"	-3.021828
"11827"	231.092724	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M-2H"	-2.014552
"451388"	347.142724	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M-2H"	-2.014552
"829917"	115.042724	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-2H"	-2.014552
"88814"	463.192724	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M-H"	-1.007276
"525457"	695.292724	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M-H"	-1.007276
"899979"	231.092724	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-H"	-1.007276
"50344"	480.219271	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M-2H+NH4"	16.019271
"488688"	712.319271	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M-2H+NH4"	16.019271
"866246"	248.119271	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-2H+NH4"	16.019271
"37427"	485.174666	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M-2H+Na"	20.974666
"478080"	717.274666	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M-2H+Na"	20.974666
"852604"	253.074666	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-2H+Na"	20.974666
"1622135"	253.074666	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Na-2H"	20.974666
"98669"	249.081063	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M-H+Cl"	33.962126
"537138"	365.131063	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M-H+Cl"	33.962126
"933933"	133.031063	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-H+Cl"	33.962126
"282221"	499.169402	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+Cl"	34.969402
"673670"	731.269402	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+Cl"	34.969402
"1286072"	267.069402	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Cl"	34.969402
"28629"	501.148606	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M-2H+K"	36.948606
"466000"	733.248606	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M-2H+K"	36.948606
"841617"	269.048606	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-2H+K"	36.948606
"1562919"	269.048606	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+K-2H"	36.948606
"955177"	277.098194	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-H+HCOOH"	44.998194
"374482"	509.198201	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+HCOOH-H"	44.998201
"352898"	523.213851	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+Hac-H"	59.013851
"1500638"	291.113851	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Hac-H"	59.013851
"961622"	299.080151	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-H+NaCOOH"	66.980151
"111007"	267.069402	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+2Cl"	69.938804
"554464"	383.119402	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+2Cl"	69.938804
"1028733"	151.019402	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2Cl"	69.938804
"1248310"	311.018885	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Br"	78.918885
"1306386"	313.074872	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Cl+HCOOH"	80.974872
"1320967"	335.056829	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Cl+NaCOOH"	102.956829
"923694"	345.085586	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M-H+CF3COOH"	112.985586
"1300402"	381.062264	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Cl+CF3COOH"	148.962264
"1377470"	197.087324	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H-2H2O"	-35.012676
"1393874"	215.0973	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H-H2O"	-17.0027
"295747"	465.207276	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+H"	1.007276
"689992"	697.307276	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+H"	1.007276
"1364519"	233.107276	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H"	1.007276
"139596"	233.107276	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+2H"	2.014552
"575874"	349.157276	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+2H"	2.014552
"1051965"	117.057276	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2H"	2.014552
"215859"	155.740609333333	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+3H"	3.021828
"656513"	233.107276	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+3H"	3.021828
"1169167"	78.3739426666667	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+3H"	3.021828
"429523"	482.233823	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+NH4"	18.033823
"796356"	714.333823	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+NH4"	18.033823
"1693051"	250.133823	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+NH4"	18.033823
"333311"	241.6205495	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+H+NH4"	19.041099
"730470"	357.6705495	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+H+NH4"	19.041099
"1478579"	125.5705495	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H+NH4"	19.041099
"395317"	487.189218	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+Na"	22.989218
"763967"	719.289218	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+Na"	22.989218
"1607690"	255.089218	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Na"	22.989218
"315662"	244.098247	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+H+Na"	23.996494
"708326"	360.148247	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+H+Na"	23.996494
"1461781"	128.048247	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H+Na"	23.996494
"1066707"	85.7012566666667	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2H+Na"	25.00377
"1269110"	265.133486	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+CH3OH+H"	33.033486
"386225"	503.163158	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+K"	38.963158
"746127"	735.263158	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+K"	38.963158
"1552191"	271.063158	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+K"	38.963158
"312652"	252.085217	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+H+K"	39.970434
"706995"	368.135217	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+H+K"	39.970434
"1461086"	136.035217	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H+K"	39.970434
"251317"	506.233826	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+ACN+H"	42.033826
"1224216"	274.133826	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+ACN+H"	42.033826
"1202268"	137.570551	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+ACN+2H"	43.041102
"195140"	509.17116	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+2Na-H"	44.97116
"643447"	741.27116	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+2Na-H"	44.97116
"1146635"	277.07116	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2Na-H"	44.97116
"188059"	255.089218	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+2Na"	45.978436
"624334"	371.139218	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+2Na"	45.978436
"1131168"	139.039218	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2Na"	45.978436
"1411365"	93.0285706666667	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H+2Na"	46.985712
"1443115"	279.112746	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H+HCOOH"	47.012746
"225521"	260.12224	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+3H2O+2H"	56.04448
"1514680"	293.16479	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+IsoProp+H"	61.06479
"417647"	263.076188	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+Na+K"	61.952376
"775360"	379.126188	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+Na+K"	61.952376
"1676069"	147.026188	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Na+K"	61.952376
"259307"	528.215768	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+ACN+Na"	64.015768
"1232014"	296.115768	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+ACN+Na"	64.015768
"1713366"	296.139293	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+NH4+HCOOH"	64.039293
"1179324"	100.355884666667	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+3Na"	68.967654
"1651038"	301.094688	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Na+HCOOH"	68.994688
"158511"	541.11904	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+2K-H"	76.91904
"598312"	773.21904	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+2K-H"	76.91904
"1085015"	309.01904	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2K-H"	76.91904
"143533"	271.063158	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"2M+2K"	77.926316
"582362"	387.113158	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"3M+2K"	77.926316
"1069544"	155.013158	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2K"	77.926316
"1100806"	311.033592	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2K+H"	78.933592
"1345590"	311.121207	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+DMSO+H"	79.021207
"1012660"	315.160376	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2ACN+H"	83.060376
"1535891"	316.154008	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+IsoProp+Na+H"	84.054008
"1000515"	158.083826	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+2ACN+2H"	84.067652
"1597206"	317.068628	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+K+HCOOH"	84.968628
"1420677"	347.100138	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+H+CF3COOH"	115.000138
"1150966"	178.597101	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+3ACN+2H"	125.094202
"1697602"	364.126685	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+NH4+CF3COOH"	132.026685
"1634710"	369.08208	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+Na+CF3COOH"	136.98208
"1580575"	385.05602	"C09142"	"Cryptolepine"	"C16H12N2"	"232.1"	"M+K+CF3COOH"	152.95602
"809846"	512.2774	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M"	0
"987756"	493.25901	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-H2O-H"	-19.01839
"78520"	340.510990666667	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M-3H"	-3.021828
"517386"	511.270124	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M-3H"	-3.021828
"895393"	169.751857333333	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-3H"	-3.021828
"15179"	511.270124	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M-2H"	-2.014552
"454050"	767.408824	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M-2H"	-2.014552
"830027"	255.131424	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-2H"	-2.014552
"88924"	1023.547524	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M-H"	-1.007276
"525931"	1535.824924	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M-H"	-1.007276
"900453"	511.270124	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-H"	-1.007276
"51547"	1040.574071	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M-2H+NH4"	16.019271
"494023"	1552.851471	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M-2H+NH4"	16.019271
"866357"	528.296671	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-2H+NH4"	16.019271
"37537"	1045.529466	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M-2H+Na"	20.974666
"480377"	1557.806866	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M-2H+Na"	20.974666
"851620"	533.252066	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-2H+Na"	20.974666
"1626618"	533.252066	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Na-2H"	20.974666
"98779"	529.258463	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M-H+Cl"	33.962126
"538341"	785.397163	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M-H+Cl"	33.962126
"931856"	273.119763	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-H+Cl"	33.962126
"282620"	1059.524202	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+Cl"	34.969402
"673780"	1571.801602	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+Cl"	34.969402
"1282903"	547.246802	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Cl"	34.969402
"29831"	1061.503406	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M-2H+K"	36.948606
"468300"	1573.780806	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M-2H+K"	36.948606
"846951"	549.226006	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-2H+K"	36.948606
"1566309"	549.226006	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+K-2H"	36.948606
"955287"	557.275594	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-H+HCOOH"	44.998194
"374592"	1069.553001	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+HCOOH-H"	44.998201
"356289"	1083.568651	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+Hac-H"	59.013851
"1502935"	571.291251	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Hac-H"	59.013851
"961732"	579.257551	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-H+NaCOOH"	66.980151
"115016"	547.246802	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+2Cl"	69.938804
"556765"	803.385502	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+2Cl"	69.938804
"1027751"	291.108102	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2Cl"	69.938804
"1254983"	591.196285	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Br"	78.918885
"1313057"	593.252272	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Cl+HCOOH"	80.974872
"1321442"	615.234229	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Cl+NaCOOH"	102.956829
"923804"	625.262986	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M-H+CF3COOH"	112.985586
"1300512"	661.239664	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Cl+CF3COOH"	148.962264
"1378673"	477.264724	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H-2H2O"	-35.012676
"1395077"	495.2747	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H-H2O"	-17.0027
"296950"	1025.562076	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+H"	1.007276
"689371"	1537.839476	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+H"	1.007276
"1366778"	513.284676	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H"	1.007276
"140799"	513.284676	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+2H"	2.014552
"575984"	769.423376	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+2H"	2.014552
"1052075"	257.145976	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2H"	2.014552
"217062"	342.525542666667	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+3H"	3.021828
"657716"	513.284676	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+3H"	3.021828
"1169277"	171.766409333333	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+3H"	3.021828
"429269"	1042.588623	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+NH4"	18.033823
"797923"	1554.866023	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+NH4"	18.033823
"1695347"	530.311223	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+NH4"	18.033823
"340346"	521.7979495	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+H+NH4"	19.041099
"726207"	777.9366495	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+H+NH4"	19.041099
"1480027"	265.6592495	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H+NH4"	19.041099
"394574"	1047.544018	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+Na"	22.989218
"758608"	1559.821418	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+Na"	22.989218
"1607800"	535.266618	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Na"	22.989218
"317838"	524.275647	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+H+Na"	23.996494
"708556"	780.414347	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+H+Na"	23.996494
"1464084"	268.136947	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H+Na"	23.996494
"1054163"	179.093723333333	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2H+Na"	25.00377
"1269950"	545.310886	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+CH3OH+H"	33.033486
"387428"	1063.517958	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+K"	38.963158
"750977"	1575.795358	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+K"	38.963158
"1552301"	551.240558	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+K"	38.963158
"313860"	532.262617	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+H+K"	39.970434
"706154"	788.401317	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+H+K"	39.970434
"1461178"	276.123917	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H+K"	39.970434
"251347"	1066.588626	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+ACN+H"	42.033826
"1225470"	554.311226	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+ACN+H"	42.033826
"1207481"	277.659251	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+ACN+2H"	43.041102
"199624"	1069.52596	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+2Na-H"	44.97116
"642097"	1581.80336	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+2Na-H"	44.97116
"1146849"	557.24856	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2Na-H"	44.97116
"184885"	535.266618	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+2Na"	45.978436
"628382"	791.405318	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+2Na"	45.978436
"1131123"	279.127918	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2Na"	45.978436
"1414132"	186.421037333333	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H+2Na"	46.985712
"1440310"	559.290146	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H+HCOOH"	47.012746
"227819"	540.29964	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+3H2O+2H"	56.04448
"1514791"	573.34219	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+IsoProp+H"	61.06479
"416664"	543.253588	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+Na+K"	61.952376
"775470"	799.392288	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+Na+K"	61.952376
"1679459"	287.114888	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Na+K"	61.952376
"261605"	1088.570568	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+ACN+Na"	64.015768
"1234312"	576.293168	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+ACN+Na"	64.015768
"1713719"	576.316693	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+NH4+HCOOH"	64.039293
"1179152"	193.748351333333	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+3Na"	68.967654
"1650786"	581.272088	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Na+HCOOH"	68.994688
"161659"	1101.47384	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+2K-H"	76.91904
"599398"	1613.75124	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+2K-H"	76.91904
"1085004"	589.19644	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2K-H"	76.91904
"146195"	551.240558	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"2M+2K"	77.926316
"583568"	807.379258	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"3M+2K"	77.926316
"1070267"	295.101858	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2K"	77.926316
"1105664"	591.210992	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2K+H"	78.933592
"1346794"	591.298607	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+DMSO+H"	79.021207
"1012770"	595.337776	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2ACN+H"	83.060376
"1534908"	596.331408	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+IsoProp+Na+H"	84.054008
"997345"	298.172526	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+2ACN+2H"	84.067652
"1596223"	597.246028	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+K+HCOOH"	84.968628
"1419694"	627.277538	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+H+CF3COOH"	115.000138
"1154356"	318.685801	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+3ACN+2H"	125.094202
"1698806"	644.304085	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+NH4+CF3COOH"	132.026685
"1634414"	649.25948	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+Na+CF3COOH"	136.98208
"1580685"	665.23342	"C09143"	"Pedilstatin;12-O-2Z4E-Octadienoyl-4-deoxyphorbol 13-acetate"	"C30H40O7"	"512.2774"	"M+K+CF3COOH"	152.95602
"809956"	596.3515	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M"	0
"984586"	577.33311	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-H2O-H"	-19.01839
"76476"	396.560390666667	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M-3H"	-3.021828
"515669"	595.344224	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M-3H"	-3.021828
"892379"	197.776557333333	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-3H"	-3.021828
"13505"	595.344224	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M-2H"	-2.014552
"454160"	893.519974	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M-2H"	-2.014552
"827950"	297.168474	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-2H"	-2.014552
"86118"	1191.695724	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M-H"	-1.007276
"518990"	1788.047224	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M-H"	-1.007276
"896551"	595.344224	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-H"	-1.007276
"47249"	1208.722271	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M-2H+NH4"	16.019271
"487814"	1805.073771	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M-2H+NH4"	16.019271
"867560"	612.370771	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-2H+NH4"	16.019271
"37647"	1213.677666	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M-2H+Na"	20.974666
"481580"	1810.029166	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M-2H+Na"	20.974666
"849542"	617.326166	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-2H+Na"	20.974666
"1626729"	617.326166	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Na-2H"	20.974666
"96696"	613.332563	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M-H+Cl"	33.962126
"538444"	911.508313	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M-H+Cl"	33.962126
"930869"	315.156813	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-H+Cl"	33.962126
"274166"	1227.672402	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+Cl"	34.969402
"666227"	1824.023902	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+Cl"	34.969402
"1281919"	631.320902	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Cl"	34.969402
"26661"	1229.651606	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M-2H+K"	36.948606
"468046"	1826.003106	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M-2H+K"	36.948606
"845117"	633.300106	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-2H+K"	36.948606
"1567512"	633.300106	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+K-2H"	36.948606
"955397"	641.349694	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-H+HCOOH"	44.998194
"376040"	1237.701201	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+HCOOH-H"	44.998201
"357493"	1251.716851	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+Hac-H"	59.013851
"1505597"	655.365351	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Hac-H"	59.013851
"964029"	663.331651	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-H+NaCOOH"	66.980151
"116220"	631.320902	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+2Cl"	69.938804
"553595"	929.496652	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+2Cl"	69.938804
"1031141"	333.145152	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2Cl"	69.938804
"1251812"	675.270385	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Br"	78.918885
"1310980"	677.326372	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Cl+HCOOH"	80.974872
"1321552"	699.308329	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Cl+NaCOOH"	102.956829
"918445"	709.337086	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M-H+CF3COOH"	112.985586
"1300622"	745.313764	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Cl+CF3COOH"	148.962264
"1378783"	561.338824	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H-2H2O"	-35.012676
"1394094"	579.3488	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H-H2O"	-17.0027
"294874"	1193.710276	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+H"	1.007276
"689117"	1790.061776	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+H"	1.007276
"1363646"	597.358776	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H"	1.007276
"138723"	597.358776	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+2H"	2.014552
"572814"	895.534526	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+2H"	2.014552
"1051457"	299.183026	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2H"	2.014552
"213891"	398.574942666667	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+3H"	3.021828
"656734"	597.358776	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+3H"	3.021828
"1167200"	199.791109333333	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+3H"	3.021828
"427192"	1210.736823	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+NH4"	18.033823
"796939"	1807.088323	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+NH4"	18.033823
"1695457"	614.385323	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+NH4"	18.033823
"339362"	605.8720495	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+H+NH4"	19.041099
"727410"	904.0477995	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+H+NH4"	19.041099
"1480137"	307.6962995	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H+NH4"	19.041099
"393349"	1215.692218	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+Na"	22.989218
"758718"	1812.043718	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+Na"	22.989218
"1611190"	619.340718	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Na"	22.989218
"316125"	608.349747	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+H+Na"	23.996494
"708544"	906.525497	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+H+Na"	23.996494
"1465287"	310.173997	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H+Na"	23.996494
"1053424"	207.118423333333	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2H+Na"	25.00377
"1268239"	629.384986	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+CH3OH+H"	33.033486
"387903"	1231.666158	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+K"	38.963158
"751087"	1828.017658	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+K"	38.963158
"1552411"	635.314658	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+K"	38.963158
"313239"	616.336717	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+H+K"	39.970434
"705292"	914.512467	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+H+K"	39.970434
"1460867"	318.160967	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H+K"	39.970434
"250847"	1234.736826	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+ACN+H"	42.033826
"1225297"	638.385326	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+ACN+H"	42.033826
"1209048"	319.696301	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+ACN+2H"	43.041102
"200827"	1237.67416	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+2Na-H"	44.97116
"641114"	1834.02566	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+2Na-H"	44.97116
"1146814"	641.32266	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2Na-H"	44.97116
"183902"	619.340718	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+2Na"	45.978436
"628512"	917.516468	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+2Na"	45.978436
"1131299"	321.164968	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2Na"	45.978436
"1413855"	214.445737333333	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H+2Na"	46.985712
"1440420"	643.364246	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H+HCOOH"	47.012746
"230116"	624.37374	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+3H2O+2H"	56.04448
"1513808"	657.41629	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+IsoProp+H"	61.06479
"416774"	627.327688	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+Na+K"	61.952376
"775216"	925.503438	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+Na+K"	61.952376
"1679205"	329.151938	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Na+K"	61.952376
"260622"	1256.718768	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+ACN+Na"	64.015768
"1231142"	660.367268	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+ACN+Na"	64.015768
"1713465"	660.390793	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+NH4+HCOOH"	64.039293
"1178936"	221.773051333333	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+3Na"	68.967654
"1650898"	665.346188	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Na+HCOOH"	68.994688
"161769"	1269.62204	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+2K-H"	76.91904
"602060"	1865.97354	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+2K-H"	76.91904
"1086573"	673.27054	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2K-H"	76.91904
"147399"	635.314658	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"2M+2K"	77.926316
"584771"	933.490408	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"3M+2K"	77.926316
"1070377"	337.138908	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2K"	77.926316
"1105774"	675.285092	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2K+H"	78.933592
"1346904"	675.372707	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+DMSO+H"	79.021207
"1015067"	679.411876	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2ACN+H"	83.060376
"1533924"	680.405508	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+IsoProp+Na+H"	84.054008
"999278"	340.209576	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+2ACN+2H"	84.067652
"1597426"	681.320128	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+K+HCOOH"	84.968628
"1419804"	711.351638	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+H+CF3COOH"	115.000138
"1151186"	360.722851	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+3ACN+2H"	125.094202
"1699647"	728.378185	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+NH4+CF3COOH"	132.026685
"1635295"	733.33358	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+Na+CF3COOH"	136.98208
"1580795"	749.30752	"C09144"	"C-Curarine;C-Curarine I"	"C40H44N4O"	"596.3515"	"M+K+CF3COOH"	152.95602
"811159"	400.2614	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M"	0
"984696"	381.24301	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-H2O-H"	-19.01839
"76949"	265.833657333333	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M-3H"	-3.021828
"515779"	399.254124	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M-3H"	-3.021828
"893946"	132.413190666667	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-3H"	-3.021828
"12885"	399.254124	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M-2H"	-2.014552
"454880"	599.384824	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M-2H"	-2.014552
"828060"	199.123424	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-2H"	-2.014552
"88415"	799.515524	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M-H"	-1.007276
"519346"	1199.776924	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M-H"	-1.007276
"899215"	399.254124	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-H"	-1.007276
"47427"	816.542071	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M-2H+NH4"	16.019271
"487550"	1216.803471	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M-2H+NH4"	16.019271
"864986"	416.280671	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-2H+NH4"	16.019271
"32040"	821.497466	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M-2H+Na"	20.974666
"479504"	1221.758866	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M-2H+Na"	20.974666
"849326"	421.236066	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-2H+Na"	20.974666
"1625745"	421.236066	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Na-2H"	20.974666
"97898"	417.242463	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M-H+Cl"	33.962126
"534666"	617.373163	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M-H+Cl"	33.962126
"929885"	217.111763	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-H+Cl"	33.962126
"275003"	835.492202	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+Cl"	34.969402
"668888"	1235.753602	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+Cl"	34.969402
"1285308"	435.230802	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Cl"	34.969402
"25677"	837.471406	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M-2H+K"	36.948606
"469369"	1237.732806	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M-2H+K"	36.948606
"841945"	437.210006	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-2H+K"	36.948606
"1568351"	437.210006	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+K-2H"	36.948606
"957937"	445.259594	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-H+HCOOH"	44.998194
"374085"	845.521001	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+HCOOH-H"	44.998201
"357604"	859.536651	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+Hac-H"	59.013851
"1506922"	459.275251	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Hac-H"	59.013851
"964139"	467.241551	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-H+NaCOOH"	66.980151
"110860"	435.230802	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+2Cl"	69.938804
"553705"	635.361502	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+2Cl"	69.938804
"1025783"	235.100102	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2Cl"	69.938804
"1254109"	479.180285	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Br"	78.918885
"1313276"	481.236272	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Cl+HCOOH"	80.974872
"1324214"	503.218229	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Cl+NaCOOH"	102.956829
"918555"	513.246986	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M-H+CF3COOH"	112.985586
"1301461"	549.223664	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Cl+CF3COOH"	148.962264
"1379987"	365.248724	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H-2H2O"	-35.012676
"1392015"	383.2587	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H-H2O"	-17.0027
"296808"	801.530076	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+H"	1.007276
"687408"	1201.791476	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+H"	1.007276
"1363757"	401.268676	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H"	1.007276
"138834"	401.268676	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+2H"	2.014552
"577300"	601.399376	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+2H"	2.014552
"1050109"	201.137976	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2H"	2.014552
"216186"	267.848209333333	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+3H"	3.021828
"655750"	401.268676	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+3H"	3.021828
"1169497"	134.427742666667	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+3H"	3.021828
"431678"	818.556623	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+NH4"	18.033823
"798142"	1218.818023	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+NH4"	18.033823
"1694474"	418.295223	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+NH4"	18.033823
"343480"	409.7819495	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+H+NH4"	19.041099
"734079"	609.9126495	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+H+NH4"	19.041099
"1483526"	209.6512495	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H+NH4"	19.041099
"396740"	823.512018	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+Na"	22.989218
"759922"	1223.773418	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+Na"	22.989218
"1605102"	423.250618	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Na"	22.989218
"318420"	412.259647	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+H+Na"	23.996494
"708291"	612.390347	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+H+Na"	23.996494
"1465397"	212.128947	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H+Na"	23.996494
"1057548"	141.755056666667	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2H+Na"	25.00377
"1269078"	433.294886	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+CH3OH+H"	33.033486
"388013"	839.485958	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+K"	38.963158
"753510"	1239.747358	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+K"	38.963158
"1551793"	439.224558	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+K"	38.963158
"313835"	420.246617	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+H+K"	39.970434
"704674"	620.377317	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+H+K"	39.970434
"1461057"	220.115917	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H+K"	39.970434
"250752"	842.556626	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+ACN+H"	42.033826
"1225573"	442.295226	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+ACN+H"	42.033826
"1205514"	221.651251	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+ACN+2H"	43.041102
"200937"	845.49396	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+2Na-H"	44.97116
"642928"	1245.75536	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+2Na-H"	44.97116
"1145466"	445.23256	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2Na-H"	44.97116
"184012"	423.250618	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+2Na"	45.978436
"628153"	623.381318	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+2Na"	45.978436
"1129998"	223.119918	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2Na"	45.978436
"1411698"	149.082370666667	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H+2Na"	46.985712
"1437251"	447.274146	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H+HCOOH"	47.012746
"224030"	428.28364	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+3H2O+2H"	56.04448
"1516105"	461.32619	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+IsoProp+H"	61.06479
"413604"	431.237588	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+Na+K"	61.952376
"774598"	631.368288	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+Na+K"	61.952376
"1669105"	231.106888	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Na+K"	61.952376
"259637"	864.538568	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+ACN+Na"	64.015768
"1229793"	464.277168	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+ACN+Na"	64.015768
"1713208"	464.300693	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+NH4+HCOOH"	64.039293
"1179086"	156.409684666667	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+3Na"	68.967654
"1651006"	469.256088	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Na+HCOOH"	68.994688
"158961"	877.44184	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+2K-H"	76.91904
"598522"	1277.70324	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+2K-H"	76.91904
"1085953"	477.18044	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2K-H"	76.91904
"148601"	439.224558	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"2M+2K"	77.926316
"582817"	639.355258	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"3M+2K"	77.926316
"1069757"	239.093858	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2K"	77.926316
"1105884"	479.194992	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2K+H"	78.933592
"1347014"	479.282607	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+DMSO+H"	79.021207
"1013718"	483.321776	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2ACN+H"	83.060376
"1532209"	484.315408	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+IsoProp+Na+H"	84.054008
"1000480"	242.164526	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+2ACN+2H"	84.067652
"1598265"	485.230028	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+K+HCOOH"	84.968628
"1421007"	515.261538	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+H+CF3COOH"	115.000138
"1154576"	262.677801	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+3ACN+2H"	125.094202
"1699028"	532.288085	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+NH4+CF3COOH"	132.026685
"1635040"	537.24348	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+Na+CF3COOH"	136.98208
"1580905"	553.21742	"C09145"	"Ophiobolin A"	"C25H36O4"	"400.2614"	"M+K+CF3COOH"	152.95602
"810176"	296.1889	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M"	0
"984806"	277.17051	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-H2O-H"	-19.01839
"73050"	196.451990666667	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M-3H"	-3.021828
"515891"	295.181624	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M-3H"	-3.021828
"891505"	97.7223573333333	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-3H"	-3.021828
"12267"	295.181624	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M-2H"	-2.014552
"454379"	443.276074	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M-2H"	-2.014552
"827441"	147.087174	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-2H"	-2.014552
"87431"	591.370524	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M-H"	-1.007276
"523710"	887.559424	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M-H"	-1.007276
"899326"	295.181624	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-H"	-1.007276
"48835"	608.397071	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M-2H+NH4"	16.019271
"487301"	904.585971	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M-2H+NH4"	16.019271
"865102"	312.208171	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-2H+NH4"	16.019271
"33495"	613.352466	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M-2H+Na"	20.974666
"472321"	909.541366	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M-2H+Na"	20.974666
"850854"	317.163566	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-2H+Na"	20.974666
"1620021"	317.163566	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Na-2H"	20.974666
"95459"	313.169963	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M-H+Cl"	33.962126
"535386"	461.264413	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M-H+Cl"	33.962126
"931088"	165.075513	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-H+Cl"	33.962126
"272926"	627.347202	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+Cl"	34.969402
"669726"	923.536102	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+Cl"	34.969402
"1278858"	331.158302	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Cl"	34.969402
"22506"	629.326406	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M-2H+K"	36.948606
"460973"	925.515306	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M-2H+K"	36.948606
"835494"	333.137506	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-2H+K"	36.948606
"1562263"	333.137506	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+K-2H"	36.948606
"952333"	341.187094	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-H+HCOOH"	44.998194
"369455"	637.376001	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+HCOOH-H"	44.998201
"357714"	651.391651	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+Hac-H"	59.013851
"1501077"	355.202751	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Hac-H"	59.013851
"960969"	363.169051	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-H+NaCOOH"	66.980151
"110970"	331.158302	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+2Cl"	69.938804
"551628"	479.252752	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+2Cl"	69.938804
"1021882"	183.063852	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2Cl"	69.938804
"1255312"	375.107785	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Br"	78.918885
"1310106"	377.163772	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Cl+HCOOH"	80.974872
"1322136"	399.145729	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Cl+NaCOOH"	102.956829
"917572"	409.174486	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M-H+CF3COOH"	112.985586
"1299748"	445.151164	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Cl+CF3COOH"	148.962264
"1380462"	261.176224	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H-2H2O"	-35.012676
"1391032"	279.1862	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H-H2O"	-17.0027
"297403"	593.385076	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+H"	1.007276
"687517"	889.573976	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+H"	1.007276
"1359492"	297.196176	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H"	1.007276
"137849"	297.196176	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+2H"	2.014552
"576319"	445.290626	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+2H"	2.014552
"1045119"	149.101726	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2H"	2.014552
"211926"	198.466542666667	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+3H"	3.021828
"654767"	297.196176	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+3H"	3.021828
"1167421"	99.7369093333333	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+3H"	3.021828
"429602"	610.411623	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+NH4"	18.033823
"791691"	906.600523	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+NH4"	18.033823
"1691304"	314.222723	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+NH4"	18.033823
"336301"	305.7094495	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+H+NH4"	19.041099
"729815"	453.8038995	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+H+NH4"	19.041099
"1482543"	157.6149995	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H+NH4"	19.041099
"397943"	615.367018	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+Na"	22.989218
"761127"	911.555918	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+Na"	22.989218
"1610318"	319.178118	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Na"	22.989218
"320354"	308.187147	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+H+Na"	23.996494
"708036"	456.281597	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+H+Na"	23.996494
"1462585"	160.092697	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H+Na"	23.996494
"1055472"	107.064223333333	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2H+Na"	25.00377
"1271009"	329.222386	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+CH3OH+H"	33.033486
"391409"	631.340958	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+K"	38.963158
"753498"	927.529858	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+K"	38.963158
"1554336"	335.152058	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+K"	38.963158
"313705"	316.174117	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+H+K"	39.970434
"706853"	464.268567	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+H+K"	39.970434
"1461248"	168.079667	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H+K"	39.970434
"251392"	634.411626	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+ACN+H"	42.033826
"1225149"	338.222726	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+ACN+H"	42.033826
"1206720"	169.615001	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+ACN+2H"	43.041102
"201778"	637.34896	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+2Na-H"	44.97116
"643285"	933.53786	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+2Na-H"	44.97116
"1144842"	341.16006	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2Na-H"	44.97116
"186919"	319.178118	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+2Na"	45.978436
"627455"	467.272568	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+2Na"	45.978436
"1125001"	171.083668	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2Na"	45.978436
"1408163"	114.391537333333	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H+2Na"	46.985712
"1437360"	343.201646	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H+HCOOH"	47.012746
"223775"	324.21114	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+3H2O+2H"	56.04448
"1516214"	357.25369	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+IsoProp+H"	61.06479
"414807"	327.165088	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+Na+K"	61.952376
"775072"	475.259538	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+Na+K"	61.952376
"1669215"	179.070638	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Na+K"	61.952376
"258654"	656.393568	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+ACN+Na"	64.015768
"1230267"	360.204668	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+ACN+Na"	64.015768
"1716967"	360.228193	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+NH4+HCOOH"	64.039293
"1183051"	121.718851333333	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+3Na"	68.967654
"1654402"	365.183588	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Na+HCOOH"	68.994688
"159804"	669.29684	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+2K-H"	76.91904
"598755"	965.48574	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+2K-H"	76.91904
"1086430"	373.10794	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2K-H"	76.91904
"146526"	335.152058	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"2M+2K"	77.926316
"590462"	483.246508	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"3M+2K"	77.926316
"1073879"	187.057608	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2K"	77.926316
"1110005"	375.122492	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2K+H"	78.933592
"1347853"	375.210107	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+DMSO+H"	79.021207
"1016015"	379.249276	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2ACN+H"	83.060376
"1534871"	380.242908	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+IsoProp+Na+H"	84.054008
"997674"	190.128276	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+2ACN+2H"	84.067652
"1598375"	381.157528	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+K+HCOOH"	84.968628
"1424397"	411.189038	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+H+CF3COOH"	115.000138
"1157967"	210.641551	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+3ACN+2H"	125.094202
"1702054"	428.215585	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+NH4+CF3COOH"	132.026685
"1639890"	433.17098	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+Na+CF3COOH"	136.98208
"1581015"	449.14492	"C09146"	"Eburnamine;(-)-Eburnamine;(14alpha)-1415-Dihydroeburnamenin-14-ol"	"C19H24N2O"	"296.1889"	"M+K+CF3COOH"	152.95602
"816796"	370.178	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M"	0
"984917"	351.15961	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-H2O-H"	-19.01839
"73160"	245.778057333333	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M-3H"	-3.021828
"518067"	369.170724	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M-3H"	-3.021828
"891615"	122.385390666667	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-3H"	-3.021828
"12013"	369.170724	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M-2H"	-2.014552
"452668"	554.259724	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M-2H"	-2.014552
"829011"	184.081724	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-2H"	-2.014552
"87541"	739.348724	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M-H"	-1.007276
"524914"	1109.526724	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M-H"	-1.007276
"899436"	369.170724	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-H"	-1.007276
"51623"	756.375271	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M-2H+NH4"	16.019271
"487899"	1126.553271	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M-2H+NH4"	16.019271
"867891"	386.197271	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-2H+NH4"	16.019271
"35793"	761.330666	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M-2H+Na"	20.974666
"472559"	1131.508666	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M-2H+Na"	20.974666
"850965"	391.152666	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-2H+Na"	20.974666
"1621590"	391.152666	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Na-2H"	20.974666
"95937"	387.159063	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M-H+Cl"	33.962126
"542061"	572.248063	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M-H+Cl"	33.962126
"930105"	202.070063	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-H+Cl"	33.962126
"273037"	775.325402	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+Cl"	34.969402
"668743"	1145.503402	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+Cl"	34.969402
"1278968"	405.147402	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Cl"	34.969402
"20429"	777.304606	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M-2H+K"	36.948606
"461083"	1147.482606	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M-2H+K"	36.948606
"837791"	407.126606	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-2H+K"	36.948606
"1561280"	407.126606	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+K-2H"	36.948606
"956454"	415.176194	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-H+HCOOH"	44.998194
"373576"	785.354201	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+HCOOH-H"	44.998201
"354544"	799.369851	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+Hac-H"	59.013851
"1501187"	429.191851	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Hac-H"	59.013851
"961075"	437.158151	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-H+NaCOOH"	66.980151
"110716"	405.147402	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+2Cl"	69.938804
"552466"	590.236402	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+2Cl"	69.938804
"1021993"	220.058402	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2Cl"	69.938804
"1253235"	449.096885	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Br"	78.918885
"1308029"	451.152872	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Cl+HCOOH"	80.974872
"1325527"	473.134829	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Cl+NaCOOH"	102.956829
"913301"	483.163586	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M-H+CF3COOH"	112.985586
"1290009"	519.140264	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Cl+CF3COOH"	148.962264
"1376924"	335.165324	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H-2H2O"	-35.012676
"1391142"	353.1753	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H-H2O"	-17.0027
"295203"	741.363276	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+H"	1.007276
"685441"	1111.541276	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+H"	1.007276
"1361790"	371.185276	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H"	1.007276
"135774"	371.185276	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+2H"	2.014552
"576428"	556.274276	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+2H"	2.014552
"1048509"	186.096276	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2H"	2.014552
"213128"	247.792609333333	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+3H"	3.021828
"649772"	371.185276	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+3H"	3.021828
"1164976"	124.399942666667	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+3H"	3.021828
"427887"	758.389823	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+NH4"	18.033823
"790707"	1128.567823	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+NH4"	18.033823
"1685945"	388.211823	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+NH4"	18.033823
"336410"	379.6985495	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+H+NH4"	19.041099
"729926"	564.7875495	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+H+NH4"	19.041099
"1480101"	194.6095495	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H+NH4"	19.041099
"398053"	763.345218	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+Na"	22.989218
"756862"	1133.523218	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+Na"	22.989218
"1608241"	393.167218	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Na"	22.989218
"318278"	382.176247	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+H+Na"	23.996494
"708024"	567.265247	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+H+Na"	23.996494
"1464523"	197.087247	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H+Na"	23.996494
"1055582"	131.727256666667	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2H+Na"	25.00377
"1271483"	403.211486	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+CH3OH+H"	33.033486
"392331"	779.319158	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+K"	38.963158
"753853"	1149.497158	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+K"	38.963158
"1554577"	409.141158	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+K"	38.963158
"313775"	390.163217	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+H+K"	39.970434
"706556"	575.252217	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+H+K"	39.970434
"1460916"	205.074217	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H+K"	39.970434
"251215"	782.389826	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+ACN+H"	42.033826
"1224038"	412.211826	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+ACN+H"	42.033826
"1205736"	206.609551	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+ACN+2H"	43.041102
"202376"	785.32716	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+2Na-H"	44.97116
"639259"	1155.50516	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+2Na-H"	44.97116
"1144951"	415.14916	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2Na-H"	44.97116
"185691"	393.167218	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+2Na"	45.978436
"626590"	578.256218	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+2Na"	45.978436
"1125110"	208.078218	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2Na"	45.978436
"1408636"	139.054570666667	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H+2Na"	46.985712
"1439657"	417.190746	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H+HCOOH"	47.012746
"224977"	398.20024	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+3H2O+2H"	56.04448
"1513044"	431.24279	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+IsoProp+H"	61.06479
"414917"	401.154188	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+Na+K"	61.952376
"781379"	586.243188	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+Na+K"	61.952376
"1671149"	216.065188	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Na+K"	61.952376
"262043"	804.371768	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+ACN+Na"	64.015768
"1234753"	434.193768	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+ACN+Na"	64.015768
"1721818"	434.217293	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+NH4+HCOOH"	64.039293
"1186807"	146.381884666667	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+3Na"	68.967654
"1655606"	439.172688	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Na+HCOOH"	68.994688
"160280"	817.27504	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+2K-H"	76.91904
"603121"	1187.45304	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+2K-H"	76.91904
"1090914"	447.09704	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2K-H"	76.91904
"144450"	409.141158	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"2M+2K"	77.926316
"585104"	594.230158	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"3M+2K"	77.926316
"1071803"	224.052158	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2K"	77.926316
"1107200"	449.111592	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2K+H"	78.933592
"1345773"	449.199207	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+DMSO+H"	79.021207
"1013211"	453.238376	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2ACN+H"	83.060376
"1531334"	454.232008	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+IsoProp+Na+H"	84.054008
"994503"	227.122826	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+2ACN+2H"	84.067652
"1596662"	455.146628	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+K+HCOOH"	84.968628
"1416248"	485.178138	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+H+CF3COOH"	115.000138
"1153704"	247.636101	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+3ACN+2H"	125.094202
"1699977"	502.204685	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+NH4+CF3COOH"	132.026685
"1637814"	507.16008	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+Na+CF3COOH"	136.98208
"1572375"	523.13402	"C09147"	"Calanolide A"	"C22H26O5"	"370.178"	"M+K+CF3COOH"	152.95602
"810396"	302.2246	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M"	0
"987214"	283.20621	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"73270"	200.475790666667	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"517204"	301.217324	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"890632"	99.7342573333333	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"12123"	301.217324	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"454236"	452.329624	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"829485"	150.105024	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"90203"	603.441924	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"528305"	905.666524	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"902827"	301.217324	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"50641"	620.468471	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"490200"	922.693071	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"864963"	318.243871	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"32133"	625.423866	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"471852"	927.648466	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"849983"	323.199266	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1620609"	323.199266	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"94993"	319.205663	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"538890"	470.317963	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"933496"	168.093363	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"277525"	639.418602	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"669948"	941.643202	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1284538"	337.194002	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"18715"	641.397806	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"459006"	943.622406	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"834985"	339.173206	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1561390"	339.173206	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"954742"	347.222794	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"374050"	649.447401	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"354654"	663.463051	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1496924"	361.238451	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"961186"	369.204751	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"111191"	337.194002	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"554031"	488.306302	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1023197"	186.081702	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1252252"	381.143485	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1310326"	383.199472	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1321626"	405.181429	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"913047"	415.210186	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1289756"	451.186864	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1380316"	267.211924	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1395993"	285.2219	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"295313"	605.456476	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"686280"	907.681076	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1361900"	303.231876	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"138070"	303.231876	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"575444"	454.344176	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1046432"	152.119576	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"214331"	202.490342666667	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"650612"	303.231876	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1167275"	101.748809333333	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"427997"	622.483023	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"788992"	924.707623	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1686782"	320.258423	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"336520"	311.7451495	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"730036"	462.8574495	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1484950"	160.6328495	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"395979"	627.438418	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"761346"	929.663018	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1606165"	325.213818	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"315229"	314.222847	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"708622"	465.335147	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1472291"	163.110547	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1058974"	109.076123333333	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1272327"	335.258086	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"392743"	643.412358	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"753882"	945.636958	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1555217"	341.187758	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"314053"	322.209817	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"706909"	473.322117	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1461061"	171.097517	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"251250"	646.483026	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1225243"	344.258426	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1207669"	172.632851	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"203700"	649.42036	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"642284"	951.64496	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1143968"	347.19576	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"185436"	325.213818	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"624996"	476.326118	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1125220"	174.101518	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1407653"	116.403437333333	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1437581"	349.237346	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"227276"	330.24684	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1514247"	363.28939	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"416120"	333.200788	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"780396"	484.313088	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1672352"	182.088488	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"259967"	668.464968	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1234863"	366.240368	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1722656"	366.263893	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1183637"	123.730751333333	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1656810"	371.219288	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"160391"	681.36824	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"603232"	983.59284	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1087744"	379.14364	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"144560"	341.187758	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"589589"	492.300058	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1069725"	190.075458	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1107308"	381.158192	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1339323"	381.245807	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1007003"	385.284976	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1527072"	386.278608	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"995706"	193.146126	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1591303"	387.193228	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1416967"	417.224738	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1152720"	213.659401	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1700085"	434.251285	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1636464"	439.20668	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1572485"	455.18062	"C09148"	"Oryzalexin A"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"810506"	294.1732	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M"	0
"984044"	275.15481	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-H2O-H"	-19.01839
"71193"	195.108190666667	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M-3H"	-3.021828
"515127"	293.165924	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M-3H"	-3.021828
"889648"	97.0504573333333	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-3H"	-3.021828
"12233"	293.165924	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M-2H"	-2.014552
"455074"	440.252524	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M-2H"	-2.014552
"829959"	146.079324	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-2H"	-2.014552
"85573"	587.339124	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M-H"	-1.007276
"526228"	881.512324	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M-H"	-1.007276
"905123"	293.165924	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-H"	-1.007276
"48199"	604.365671	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M-2H+NH4"	16.019271
"489945"	898.538871	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M-2H+NH4"	16.019271
"864588"	310.192471	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-2H+NH4"	16.019271
"31605"	609.321066	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M-2H+Na"	20.974666
"471499"	903.494266	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M-2H+Na"	20.974666
"848796"	315.147866	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-2H+Na"	20.974666
"1621811"	315.147866	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Na-2H"	20.974666
"95427"	311.154263	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M-H+Cl"	33.962126
"540092"	458.240863	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M-H+Cl"	33.962126
"931420"	164.067663	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-H+Cl"	33.962126
"275448"	623.315802	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+Cl"	34.969402
"667865"	917.489002	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+Cl"	34.969402
"1276993"	329.142602	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Cl"	34.969402
"19552"	625.295006	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M-2H+K"	36.948606
"459114"	919.468206	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M-2H+K"	36.948606
"834001"	331.121806	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-2H+K"	36.948606
"1555630"	331.121806	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+K-2H"	36.948606
"952663"	339.171394	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-H+HCOOH"	44.998194
"365412"	633.344601	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+HCOOH-H"	44.998201
"350388"	647.360251	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+Hac-H"	59.013851
"1498127"	353.187051	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Hac-H"	59.013851
"958523"	361.153351	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-H+NaCOOH"	66.980151
"113488"	329.142602	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+2Cl"	69.938804
"555234"	476.229202	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+2Cl"	69.938804
"1029503"	182.056002	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2Cl"	69.938804
"1253455"	373.092085	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Br"	78.918885
"1310436"	375.148072	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Cl+HCOOH"	80.974872
"1321372"	397.130029	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Cl+NaCOOH"	102.956829
"912429"	407.158786	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M-H+CF3COOH"	112.985586
"1289867"	443.135464	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Cl+CF3COOH"	148.962264
"1379333"	259.160524	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H-2H2O"	-35.012676
"1396467"	277.1705	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H-H2O"	-17.0027
"296516"	589.353676	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+H"	1.007276
"686754"	883.526876	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+H"	1.007276
"1365290"	295.180476	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H"	1.007276
"137087"	295.180476	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+2H"	2.014552
"577376"	442.267076	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+2H"	2.014552
"1047634"	148.093876	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2H"	2.014552
"213349"	197.122742666667	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+3H"	3.021828
"650723"	295.180476	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+3H"	3.021828
"1166292"	99.0650093333334	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+3H"	3.021828
"428838"	606.380223	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+NH4"	18.033823
"788737"	900.553423	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+NH4"	18.033823
"1686164"	312.207023	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+NH4"	18.033823
"336630"	303.6937495	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+H+NH4"	19.041099
"727958"	450.7803495	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+H+NH4"	19.041099
"1483970"	156.6071495	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H+NH4"	19.041099
"396087"	611.335618	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+Na"	22.989218
"757084"	905.508818	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+Na"	22.989218
"1606275"	317.162418	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Na"	22.989218
"314848"	306.171447	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+H+Na"	23.996494
"710918"	453.258047	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+H+Na"	23.996494
"1472401"	159.084847	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H+Na"	23.996494
"1060177"	106.392323333333	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2H+Na"	25.00377
"1272438"	327.206686	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+CH3OH+H"	33.033486
"392795"	627.309558	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+K"	38.963158
"754031"	921.482758	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+K"	38.963158
"1555280"	333.136358	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+K"	38.963158
"314168"	314.158417	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+H+K"	39.970434
"706942"	461.245017	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+H+K"	39.970434
"1460641"	167.071817	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H+K"	39.970434
"251064"	630.380226	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+ACN+H"	42.033826
"1223529"	336.207026	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+ACN+H"	42.033826
"1208630"	168.607151	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+ACN+2H"	43.041102
"202107"	633.31756	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+2Na-H"	44.97116
"638749"	927.49076	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+2Na-H"	44.97116
"1143715"	339.14436	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2Na-H"	44.97116
"185183"	317.162418	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+2Na"	45.978436
"624741"	464.249018	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+2Na"	45.978436
"1125330"	170.075818	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2Na"	45.978436
"1404483"	113.719637333333	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H+2Na"	46.985712
"1433318"	341.185946	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H+HCOOH"	47.012746
"224834"	322.19544	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+3H2O+2H"	56.04448
"1514357"	355.23799	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+IsoProp+H"	61.06479
"416230"	325.149388	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+Na+K"	61.952376
"779049"	472.235988	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+Na+K"	61.952376
"1670276"	178.062788	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Na+K"	61.952376
"257890"	652.362168	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+ACN+Na"	64.015768
"1234245"	358.188968	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+ACN+Na"	64.015768
"1717299"	358.212493	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+NH4+HCOOH"	64.039293
"1181922"	121.046951333333	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+3Na"	68.967654
"1652179"	363.167888	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Na+HCOOH"	68.994688
"160501"	665.26544	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+2K-H"	76.91904
"598238"	959.43864	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+2K-H"	76.91904
"1084938"	371.09224	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2K-H"	76.91904
"144670"	333.136358	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"2M+2K"	77.926316
"590792"	480.222958	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"3M+2K"	77.926316
"1072022"	186.049758	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2K"	77.926316
"1105232"	373.106792	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2K+H"	78.933592
"1339433"	373.194407	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+DMSO+H"	79.021207
"1007964"	377.233576	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2ACN+H"	83.060376
"1527182"	378.227208	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+IsoProp+Na+H"	84.054008
"994723"	189.120426	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+2ACN+2H"	84.067652
"1590320"	379.141828	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+K+HCOOH"	84.968628
"1417077"	409.173338	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+H+CF3COOH"	115.000138
"1153923"	209.633701	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+3ACN+2H"	125.094202
"1701289"	426.199885	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+NH4+CF3COOH"	132.026685
"1638031"	431.15528	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+Na+CF3COOH"	136.98208
"1572595"	447.12922	"C09149"	"Eburnamonine;Vinburnine"	"C19H22N2O"	"294.1732"	"M+K+CF3COOH"	152.95602
"811709"	334.2144	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M"	0
"989258"	315.19601	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"71303"	221.802324	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"515237"	333.207124	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"894132"	110.397524	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"12707"	333.207124	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"455314"	500.314324	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"830069"	166.099924	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"90786"	667.421524	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"526338"	1001.635924	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"900860"	333.207124	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"54141"	684.448071	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"493701"	1018.662471	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"871503"	350.233671	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"33937"	689.403466	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"471629"	1023.617866	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"849475"	355.189066	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1624109"	355.189066	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"95174"	351.195463	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"538381"	518.302663	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"928978"	184.088263	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"275558"	703.398202	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"664696"	1037.612602	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1277103"	369.183802	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"19662"	705.377406	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"461411"	1039.591806	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"834840"	371.163006	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1559782"	371.163006	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"944389"	379.212594	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"362117"	713.427001	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"348312"	727.442651	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1493498"	393.228251	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"958690"	401.194551	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"110265"	369.183802	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"558625"	536.291002	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1025239"	202.076602	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1247003"	413.133285	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1307266"	415.189272	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1324764"	437.171229	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"912905"	447.199986	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1294718"	483.176664	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1381267"	299.201724	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1396940"	317.2117	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"297965"	669.436076	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"689051"	1003.650476	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1363211"	335.221676	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"139749"	335.221676	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"577852"	502.328876	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1049930"	168.114476	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"215283"	223.816876	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"655206"	335.221676	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1165309"	112.412076	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"430040"	686.462623	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"791401"	1020.677023	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1689555"	352.248223	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"343301"	343.7349495	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"735724"	510.8421495	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1485174"	176.6277495	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"397293"	691.418018	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"762663"	1025.632418	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1610760"	357.203618	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"318610"	346.212647	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"711029"	513.319847	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1473607"	179.105447	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1059195"	119.73939	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1268896"	367.247886	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"389662"	707.391958	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"753580"	1041.606358	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1554782"	373.177558	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"312805"	354.199617	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"704497"	521.306817	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1460143"	187.092417	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"250940"	710.462626	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1222546"	376.248226	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1209105"	188.627751	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"202462"	713.39996	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"641899"	1047.61436	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1144189"	379.18556	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"186755"	357.203618	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"623028"	524.310818	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1126534"	190.096418	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1406778"	127.066704	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1434521"	381.227146	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"226403"	362.23664	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1514467"	395.27919	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"417435"	365.190588	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"782077"	532.297788	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1670387"	198.083388	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"260189"	732.444568	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1233991"	398.230168	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1717409"	398.253693	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1182763"	134.394018	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1651561"	403.209088	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"160612"	745.34784	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"600171"	1079.56224	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1087964"	411.13344	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"149154"	373.177558	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"587622"	540.284758	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1072132"	206.070358	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1109716"	413.147992	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1340636"	413.235607	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1008074"	417.274776	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1526196"	418.268408	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"993738"	209.141026	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1591523"	419.183028	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1416093"	449.214538	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1148566"	229.654301	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1698121"	466.241085	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1637413"	471.19648	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1575986"	487.17042	"C09150"	"17-Oxogrindelic acid"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"811819"	374.1366	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M"	0
"988636"	355.11821	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-H2O-H"	-19.01839
"76881"	248.417124	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M-3H"	-3.021828
"515347"	373.129324	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M-3H"	-3.021828
"893879"	123.704924	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-3H"	-3.021828
"12817"	373.129324	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M-2H"	-2.014552
"454201"	560.197624	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M-2H"	-2.014552
"830057"	186.061024	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-2H"	-2.014552
"90169"	747.265924	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M-H"	-1.007276
"528635"	1121.402524	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M-H"	-1.007276
"904250"	373.129324	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-H"	-1.007276
"49877"	764.292471	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M-2H+NH4"	16.019271
"493811"	1138.429071	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M-2H+NH4"	16.019271
"871613"	390.155871	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-2H+NH4"	16.019271
"35141"	769.247866	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M-2H+Na"	20.974666
"476888"	1143.384466	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M-2H+Na"	20.974666
"850800"	395.111266	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-2H+Na"	20.974666
"1625313"	395.111266	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Na-2H"	20.974666
"96742"	391.117663	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M-H+Cl"	33.962126
"537033"	578.185963	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M-H+Cl"	33.962126
"930544"	204.049363	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-H+Cl"	33.962126
"270196"	783.242602	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+Cl"	34.969402
"663715"	1157.379202	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+Cl"	34.969402
"1277213"	409.106002	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Cl"	34.969402
"18678"	785.221806	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M-2H+K"	36.948606
"457511"	1159.358406	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M-2H+K"	36.948606
"835315"	411.085206	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-2H+K"	36.948606
"1556978"	411.085206	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+K-2H"	36.948606
"943406"	419.134794	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-H+HCOOH"	44.998194
"361619"	793.271401	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+HCOOH-H"	44.998201
"346720"	807.287051	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+Hac-H"	59.013851
"1502724"	433.150451	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Hac-H"	59.013851
"958634"	441.116751	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-H+NaCOOH"	66.980151
"116985"	409.106002	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+2Cl"	69.938804
"555455"	596.174302	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+2Cl"	69.938804
"1027535"	222.037702	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2Cl"	69.938804
"1249300"	453.055485	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Br"	78.918885
"1310657"	455.111472	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Cl+HCOOH"	80.974872
"1322320"	477.093429	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Cl+NaCOOH"	102.956829
"918119"	487.122186	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M-H+CF3COOH"	112.985586
"1303578"	523.098864	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Cl+CF3COOH"	148.962264
"1380647"	339.123924	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H-2H2O"	-35.012676
"1397052"	357.1339	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H-H2O"	-17.0027
"293458"	749.280476	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+H"	1.007276
"689162"	1123.417076	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+H"	1.007276
"1365510"	375.143876	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H"	1.007276
"138769"	375.143876	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+2H"	2.014552
"578695"	562.212176	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+2H"	2.014552
"1050043"	188.075576	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2H"	2.014552
"217217"	250.431676	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+3H"	3.021828
"657505"	375.143876	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+3H"	3.021828
"1169065"	125.719476	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+3H"	3.021828
"437443"	766.307023	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+NH4"	18.033823
"800510"	1140.443623	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+NH4"	18.033823
"1694040"	392.170423	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+NH4"	18.033823
"343411"	383.6571495	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+H+NH4"	19.041099
"732555"	570.7254495	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+H+NH4"	19.041099
"1489654"	196.5888495	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H+NH4"	19.041099
"402870"	771.262418	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+Na"	22.989218
"762771"	1145.399018	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+Na"	22.989218
"1610869"	397.125818	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Na"	22.989218
"323091"	386.134847	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+H+Na"	23.996494
"713326"	573.203147	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+H+Na"	23.996494
"1467146"	199.066547	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H+Na"	23.996494
"1057112"	133.04679	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2H+Na"	25.00377
"1269006"	407.170086	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+CH3OH+H"	33.033486
"390749"	787.236358	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+K"	38.963158
"753324"	1161.372958	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+K"	38.963158
"1554649"	413.099758	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+K"	38.963158
"313043"	394.121817	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+H+K"	39.970434
"704608"	581.190117	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+H+K"	39.970434
"1455879"	207.053517	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H+K"	39.970434
"250560"	790.307026	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+ACN+H"	42.033826
"1221562"	416.170426	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+ACN+H"	42.033826
"1206541"	208.588851	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+ACN+2H"	43.041102
"200139"	793.24436	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+2Na-H"	44.97116
"640066"	1167.38096	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+2Na-H"	44.97116
"1138102"	419.10776	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2Na-H"	44.97116
"177018"	397.125818	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+2Na"	45.978436
"624963"	584.194118	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+2Na"	45.978436
"1127737"	210.057518	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2Na"	45.978436
"1407982"	140.374104	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H+2Na"	46.985712
"1433537"	421.149346	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H+HCOOH"	47.012746
"225419"	402.15884	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+3H2O+2H"	56.04448
"1515672"	435.20139	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+IsoProp+H"	61.06479
"413174"	405.112788	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+Na+K"	61.952376
"773075"	592.181088	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+Na+K"	61.952376
"1676696"	218.044488	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Na+K"	61.952376
"262124"	812.288968	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+ACN+Na"	64.015768
"1234101"	438.152368	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+ACN+Na"	64.015768
"1719707"	438.175893	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+NH4+HCOOH"	64.039293
"1183966"	147.701418	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+3Na"	68.967654
"1651670"	443.131288	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Na+HCOOH"	68.994688
"157555"	825.19224	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+2K-H"	76.91904
"597486"	1199.32884	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+2K-H"	76.91904
"1084262"	451.05564	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2K-H"	76.91904
"144890"	413.099758	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"2M+2K"	77.926316
"582263"	600.168058	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"3M+2K"	77.926316
"1073337"	226.031458	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2K"	77.926316
"1109826"	453.070192	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2K+H"	78.933592
"1342933"	453.157807	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+DMSO+H"	79.021207
"1008184"	457.196976	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2ACN+H"	83.060376
"1526307"	458.190608	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+IsoProp+Na+H"	84.054008
"994942"	229.102126	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+2ACN+2H"	84.067652
"1590540"	459.105228	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+K+HCOOH"	84.968628
"1417297"	489.136738	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+H+CF3COOH"	115.000138
"1149768"	249.615401	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+3ACN+2H"	125.094202
"1697502"	506.163285	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+NH4+CF3COOH"	132.026685
"1636430"	511.11868	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+Na+CF3COOH"	136.98208
"1581565"	527.09262	"C09151"	"Palmarin"	"C20H22O7"	"374.1366"	"M+K+CF3COOH"	152.95602
"811929"	385.2127	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M"	0
"988746"	366.19431	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-H2O-H"	-19.01839
"74802"	255.801190666667	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M-3H"	-3.021828
"515456"	384.205424	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M-3H"	-3.021828
"891072"	127.396957333333	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-3H"	-3.021828
"12927"	384.205424	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M-2H"	-2.014552
"449206"	576.811774	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M-2H"	-2.014552
"828100"	191.599074	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-2H"	-2.014552
"90279"	769.418124	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M-H"	-1.007276
"527652"	1154.630824	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M-H"	-1.007276
"905454"	384.205424	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-H"	-1.007276
"54361"	786.444671	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M-2H+NH4"	16.019271
"490641"	1171.657371	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M-2H+NH4"	16.019271
"869536"	401.231971	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-2H+NH4"	16.019271
"34279"	791.400066	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M-2H+Na"	20.974666
"476998"	1176.612766	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M-2H+Na"	20.974666
"852612"	406.187366	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-2H+Na"	20.974666
"1630163"	406.187366	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Na-2H"	20.974666
"96488"	402.193763	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M-H+Cl"	33.962126
"536169"	594.800113	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M-H+Cl"	33.962126
"931019"	209.587413	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-H+Cl"	33.962126
"270308"	805.394802	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+Cl"	34.969402
"663825"	1190.607502	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+Cl"	34.969402
"1278417"	420.182102	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Cl"	34.969402
"18788"	807.374006	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M-2H+K"	36.948606
"458349"	1192.586706	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M-2H+K"	36.948606
"833480"	422.161306	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-2H+K"	36.948606
"1559646"	422.161306	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+K-2H"	36.948606
"947520"	430.210894	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-H+HCOOH"	44.998194
"362093"	815.423601	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+HCOOH-H"	44.998201
"348532"	829.439251	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+Hac-H"	59.013851
"1496272"	444.226551	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Hac-H"	59.013851
"959067"	452.192851	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-H+NaCOOH"	66.980151
"110768"	420.182102	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+2Cl"	69.938804
"559939"	612.788452	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+2Cl"	69.938804
"1036151"	227.575752	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2Cl"	69.938804
"1253785"	464.131585	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Br"	78.918885
"1310767"	466.187572	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Cl+HCOOH"	80.974872
"1322796"	488.169529	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Cl+NaCOOH"	102.956829
"918229"	498.198286	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M-H+CF3COOH"	112.985586
"1294938"	534.174964	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Cl+CF3COOH"	148.962264
"1376383"	350.200024	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H-2H2O"	-35.012676
"1396798"	368.21	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H-H2O"	-17.0027
"293570"	771.432676	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+H"	1.007276
"688180"	1156.645376	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+H"	1.007276
"1363071"	386.219976	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H"	1.007276
"139244"	386.219976	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+2H"	2.014552
"578441"	578.826326	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+2H"	2.014552
"1049789"	193.613626	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2H"	2.014552
"215865"	257.815742666667	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+3H"	3.021828
"655426"	386.219976	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+3H"	3.021828
"1169178"	129.411509333333	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+3H"	3.021828
"430263"	788.459223	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+NH4"	18.033823
"795632"	1173.671923	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+NH4"	18.033823
"1691962"	403.246523	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+NH4"	18.033823
"339151"	394.7332495	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+H+NH4"	19.041099
"731568"	587.3395995	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+H+NH4"	19.041099
"1481014"	202.1268995	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H+NH4"	19.041099
"402975"	793.414618	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+Na"	22.989218
"760690"	1178.627318	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+Na"	22.989218
"1604656"	408.201918	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Na"	22.989218
"321014"	397.210947	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+H+Na"	23.996494
"716719"	589.817297	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+H+Na"	23.996494
"1465070"	204.604597	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H+Na"	23.996494
"1057222"	136.738823333333	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2H+Na"	25.00377
"1270939"	418.246186	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+CH3OH+H"	33.033486
"392310"	809.388558	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+K"	38.963158
"753922"	1194.601258	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+K"	38.963158
"1555121"	424.175858	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+K"	38.963158
"313515"	405.197917	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+H+K"	39.970434
"705446"	597.804267	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+H+K"	39.970434
"1459634"	212.591567	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H+K"	39.970434
"250057"	812.459226	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+ACN+H"	42.033826
"1219485"	427.246526	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+ACN+H"	42.033826
"1204463"	214.126901	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+ACN+2H"	43.041102
"197333"	815.39656	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+2Na-H"	44.97116
"640176"	1200.60926	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+2Na-H"	44.97116
"1138212"	430.18386	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2Na-H"	44.97116
"177128"	408.201918	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+2Na"	45.978436
"622156"	600.808268	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+2Na"	45.978436
"1128941"	215.595568	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2Na"	45.978436
"1408091"	144.066137333333	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H+2Na"	46.985712
"1436926"	432.225446	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H+HCOOH"	47.012746
"222248"	413.23494	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+3H2O+2H"	56.04448
"1515782"	446.27749	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+IsoProp+H"	61.06479
"415470"	416.188888	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+Na+K"	61.952376
"772455"	608.795238	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+Na+K"	61.952376
"1676077"	223.582538	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Na+K"	61.952376
"261504"	834.441168	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+ACN+Na"	64.015768
"1234211"	449.228468	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+ACN+Na"	64.015768
"1719817"	449.251993	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+NH4+HCOOH"	64.039293
"1182983"	151.393451333333	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+3Na"	68.967654
"1650809"	454.207388	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Na+HCOOH"	68.994688
"158516"	847.34444	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+2K-H"	76.91904
"597474"	1232.55714	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+2K-H"	76.91904
"1084778"	462.13174	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2K-H"	76.91904
"142204"	424.175858	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"2M+2K"	77.926316
"584560"	616.782208	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"3M+2K"	77.926316
"1074541"	231.569508	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2K"	77.926316
"1106655"	464.146292	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2K+H"	78.933592
"1336114"	464.233907	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+DMSO+H"	79.021207
"1007439"	468.273076	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2ACN+H"	83.060376
"1526781"	469.266708	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+IsoProp+Na+H"	84.054008
"995053"	234.640176	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+2ACN+2H"	84.067652
"1590650"	470.181328	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+K+HCOOH"	84.968628
"1418501"	500.212838	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+H+CF3COOH"	115.000138
"1149150"	255.153451	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+3ACN+2H"	125.094202
"1698341"	517.239385	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+NH4+CF3COOH"	132.026685
"1634718"	522.19478	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+Na+CF3COOH"	136.98208
"1581675"	538.16872	"C09152"	"Echitamine"	"C22H29N2O4"	"385.2127"	"M+K+CF3COOH"	152.95602
"812039"	660.4237	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M"	0
"985576"	641.40531	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-H2O-H"	-19.01839
"74912"	439.275190666667	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M-3H"	-3.021828
"515566"	659.416424	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M-3H"	-3.021828
"891181"	219.133957333333	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-3H"	-3.021828
"13766"	659.416424	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M-2H"	-2.014552
"448222"	989.628274	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M-2H"	-2.014552
"828210"	329.204574	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-2H"	-2.014552
"88202"	1319.840124	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M-H"	-1.007276
"528855"	1980.263824	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M-H"	-1.007276
"906657"	659.416424	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-H"	-1.007276
"57751"	1336.866671	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M-2H+NH4"	16.019271
"494031"	1997.290371	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M-2H+NH4"	16.019271
"870740"	676.442971	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-2H+NH4"	16.019271
"37548"	1341.822066	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M-2H+Na"	20.974666
"477108"	2002.245766	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M-2H+Na"	20.974666
"853816"	681.398366	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-2H+Na"	20.974666
"1631367"	681.398366	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Na-2H"	20.974666
"97691"	677.404763	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M-H+Cl"	33.962126
"537253"	1007.616613	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M-H+Cl"	33.962126
"931858"	347.192913	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-H+Cl"	33.962126
"273698"	1355.816802	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+Cl"	34.969402
"665028"	2016.240502	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+Cl"	34.969402
"1276338"	695.393102	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Cl"	34.969402
"18898"	1357.796006	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M-2H+K"	36.948606
"458458"	2018.219706	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M-2H+K"	36.948606
"834076"	697.372306	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-2H+K"	36.948606
"1561942"	697.372306	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+K-2H"	36.948606
"944715"	705.421894	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-H+HCOOH"	44.998194
"363296"	1365.845601	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+HCOOH-H"	44.998201
"349006"	1379.861251	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+Hac-H"	59.013851
"1492971"	719.437551	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Hac-H"	59.013851
"958932"	727.403851	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-H+NaCOOH"	66.980151
"110516"	695.393102	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+2Cl"	69.938804
"557861"	1025.604952	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+2Cl"	69.938804
"1034316"	365.181252	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2Cl"	69.938804
"1256081"	739.342585	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Br"	78.918885
"1310877"	741.398572	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Cl+HCOOH"	80.974872
"1324363"	763.380529	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Cl+NaCOOH"	102.956829
"918339"	773.409286	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M-H+CF3COOH"	112.985586
"1292861"	809.385964	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Cl+CF3COOH"	148.962264
"1377585"	625.411024	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H-2H2O"	-35.012676
"1396176"	643.421	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H-H2O"	-17.0027
"294772"	1321.854676	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+H"	1.007276
"689018"	1982.278376	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+H"	1.007276
"1363181"	661.430976	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H"	1.007276
"138261"	661.430976	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+2H"	2.014552
"577819"	991.642826	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+2H"	2.014552
"1050259"	331.219126	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2H"	2.014552
"217797"	441.289742666667	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+3H"	3.021828
"658088"	661.430976	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+3H"	3.021828
"1172568"	221.148509333333	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+3H"	3.021828
"431466"	1338.881223	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+NH4"	18.033823
"795742"	1999.304923	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+NH4"	18.033823
"1690979"	678.457523	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+NH4"	18.033823
"340354"	669.9442495	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+H+NH4"	19.041099
"734961"	1000.1560995	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+H+NH4"	19.041099
"1489872"	339.7323995	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H+NH4"	19.041099
"403085"	1343.836618	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+Na"	22.989218
"761893"	2004.260318	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+Na"	22.989218
"1604645"	683.412918	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Na"	22.989218
"321124"	672.421947	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+H+Na"	23.996494
"720109"	1002.633797	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+H+Na"	23.996494
"1465180"	342.210097	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H+Na"	23.996494
"1057332"	228.475823333333	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2H+Na"	25.00377
"1265579"	693.457186	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+CH3OH+H"	33.033486
"383059"	1359.810558	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+K"	38.963158
"753863"	2020.234258	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+K"	38.963158
"1554496"	699.386858	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+K"	38.963158
"314092"	680.408917	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+H+K"	39.970434
"706891"	1010.620767	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+H+K"	39.970434
"1461150"	350.197067	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H+K"	39.970434
"251183"	1362.881226	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+ACN+H"	42.033826
"1221782"	702.457526	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+ACN+H"	42.033826
"1207854"	351.732401	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+ACN+2H"	43.041102
"200723"	1365.81856	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+2Na-H"	44.97116
"640286"	2026.24226	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+2Na-H"	44.97116
"1140509"	705.39486	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2Na-H"	44.97116
"179425"	683.412918	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+2Na"	45.978436
"626274"	1013.624768	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+2Na"	45.978436
"1130142"	353.201068	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2Na"	45.978436
"1410386"	235.803137333333	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H+2Na"	46.985712
"1441409"	707.436446	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H+HCOOH"	47.012746
"226732"	688.44594	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+3H2O+2H"	56.04448
"1518079"	721.48849	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+IsoProp+H"	61.06479
"415579"	691.399888	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+Na+K"	61.952376
"779854"	1021.611738	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+Na+K"	61.952376
"1673998"	361.188038	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Na+K"	61.952376
"263436"	1384.863168	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+ACN+Na"	64.015768
"1235414"	724.439468	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+ACN+Na"	64.015768
"1721020"	724.462993	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+NH4+HCOOH"	64.039293
"1183093"	243.130451333333	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+3Na"	68.967654
"1651768"	729.418388	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Na+HCOOH"	68.994688
"158871"	1397.76644	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+2K-H"	76.91904
"600501"	2058.19014	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+2K-H"	76.91904
"1089387"	737.34274	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2K-H"	76.91904
"142188"	699.386858	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"2M+2K"	77.926316
"584670"	1029.598708	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"3M+2K"	77.926316
"1069783"	369.175008	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2K"	77.926316
"1102512"	739.357292	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2K+H"	78.933592
"1337318"	739.444907	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+DMSO+H"	79.021207
"1007185"	743.484076	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2ACN+H"	83.060376
"1525431"	744.477708	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+IsoProp+Na+H"	84.054008
"996256"	372.245676	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+2ACN+2H"	84.067652
"1592947"	745.392328	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+K+HCOOH"	84.968628
"1418610"	775.423838	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+H+CF3COOH"	115.000138
"1148529"	392.758951	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+3ACN+2H"	125.094202
"1700637"	792.450385	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+NH4+CF3COOH"	132.026685
"1635192"	797.40578	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+Na+CF3COOH"	136.98208
"1581785"	813.37972	"C09153"	"12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Croton factor F1"	"C38H60O9"	"660.4237"	"M+K+CF3COOH"	152.95602
"812149"	246.1157	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M"	0
"985686"	227.09731	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-H2O-H"	-19.01839
"76116"	163.069857333333	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M-3H"	-3.021828
"517501"	245.108424	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M-3H"	-3.021828
"891290"	81.0312906666667	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-3H"	-3.021828
"4397"	245.108424	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M-2H"	-2.014552
"448332"	368.166274	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M-2H"	-2.014552
"826133"	122.050574	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-2H"	-2.014552
"88312"	491.224124	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M-H"	-1.007276
"525684"	737.339824	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M-H"	-1.007276
"906767"	245.108424	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-H"	-1.007276
"57861"	508.250671	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M-2H+NH4"	16.019271
"490861"	754.366371	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M-2H+NH4"	16.019271
"875225"	262.134971	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-2H+NH4"	16.019271
"37659"	513.206066	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M-2H+Na"	20.974666
"475031"	759.321766	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M-2H+Na"	20.974666
"853926"	267.090366	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-2H+Na"	20.974666
"1627831"	267.090366	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Na-2H"	20.974666
"96708"	263.096763	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M-H+Cl"	33.962126
"537362"	386.154613	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M-H+Cl"	33.962126
"931967"	140.038913	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-H+Cl"	33.962126
"270528"	527.200802	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+Cl"	34.969402
"665138"	773.316502	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+Cl"	34.969402
"1275355"	281.085102	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Cl"	34.969402
"20101"	529.180006	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M-2H+K"	36.948606
"461854"	775.295706	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M-2H+K"	36.948606
"833943"	283.064306	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-2H+K"	36.948606
"1562052"	283.064306	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+K-2H"	36.948606
"944707"	291.113894	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-H+HCOOH"	44.998194
"362072"	537.229601	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+HCOOH-H"	44.998201
"345996"	551.245251	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+Hac-H"	59.013851
"1492880"	305.129551	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Hac-H"	59.013851
"966221"	313.095851	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-H+NaCOOH"	66.980151
"110167"	281.085102	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+2Cl"	69.938804
"555782"	404.142952	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+2Cl"	69.938804
"1033333"	158.027252	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2Cl"	69.938804
"1247442"	325.034585	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Br"	78.918885
"1310986"	327.090572	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Cl+HCOOH"	80.974872
"1323016"	349.072529	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Cl+NaCOOH"	102.956829
"912981"	359.101286	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M-H+CF3COOH"	112.985586
"1294066"	395.077964	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Cl+CF3COOH"	148.962264
"1372227"	211.103024	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H-2H2O"	-35.012676
"1393006"	229.113	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H-H2O"	-17.0027
"296703"	493.238676	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+H"	1.007276
"688765"	739.354376	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+H"	1.007276
"1365113"	247.122976	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H"	1.007276
"139829"	247.122976	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+2H"	2.014552
"577931"	370.180826	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+2H"	2.014552
"1050737"	124.065126	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2H"	2.014552
"216085"	165.084409333333	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+3H"	3.021828
"657833"	247.122976	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+3H"	3.021828
"1174865"	83.0458426666667	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+3H"	3.021828
"435950"	510.265223	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+NH4"	18.033823
"796945"	756.380923	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+NH4"	18.033823
"1693276"	264.149523	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+NH4"	18.033823
"342651"	255.6362495	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+H+NH4"	19.041099
"735071"	378.6940995	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+H+NH4"	19.041099
"1489982"	132.5783995	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H+NH4"	19.041099
"406475"	515.220618	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+Na"	22.989218
"762003"	761.336318	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+Na"	22.989218
"1605727"	269.104918	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Na"	22.989218
"323421"	258.113947	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+H+Na"	23.996494
"718033"	381.171797	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+H+Na"	23.996494
"1465290"	135.056097	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H+Na"	23.996494
"1058535"	90.3731566666667	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2H+Na"	25.00377
"1265688"	279.149186	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+CH3OH+H"	33.033486
"383898"	531.194558	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+K"	38.963158
"749635"	777.310258	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+K"	38.963158
"1552780"	285.078858	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+K"	38.963158
"314247"	266.100917	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+H+K"	39.970434
"706480"	389.158767	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+H+K"	39.970434
"1460341"	143.043067	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H+K"	39.970434
"249180"	534.265226	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+ACN+H"	42.033826
"1219704"	288.149526	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+ACN+H"	42.033826
"1209058"	144.578401	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+ACN+2H"	43.041102
"203021"	537.20256	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+2Na-H"	44.97116
"638206"	783.31826	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+2Na-H"	44.97116
"1141713"	291.08686	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2Na-H"	44.97116
"185002"	269.104918	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+2Na"	45.978436
"625654"	392.162768	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+2Na"	45.978436
"1123693"	146.047068	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2Na"	45.978436
"1405030"	97.7004706666667	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H+2Na"	46.985712
"1436054"	293.128446	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H+HCOOH"	47.012746
"227934"	274.13794	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+3H2O+2H"	56.04448
"1517096"	307.18049	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+IsoProp+H"	61.06479
"415689"	277.091888	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+Na+K"	61.952376
"779964"	400.149738	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+Na+K"	61.952376
"1674108"	154.034038	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Na+K"	61.952376
"265368"	556.247168	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+ACN+Na"	64.015768
"1234431"	310.131468	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+ACN+Na"	64.015768
"1721130"	310.154993	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+NH4+HCOOH"	64.039293
"1182110"	105.027784666667	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+3Na"	68.967654
"1653097"	315.110388	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Na+HCOOH"	68.994688
"157887"	569.15044	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+2K-H"	76.91904
"598420"	815.26614	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+2K-H"	76.91904
"1085245"	323.03474	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2K-H"	76.91904
"143034"	285.078858	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"2M+2K"	77.926316
"591342"	408.136708	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"3M+2K"	77.926316
"1070385"	162.021008	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2K"	77.926316
"1103596"	325.049292	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2K+H"	78.933592
"1337186"	325.136907	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+DMSO+H"	79.021207
"1006564"	329.176076	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2ACN+H"	83.060376
"1525174"	330.169708	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+IsoProp+Na+H"	84.054008
"996366"	165.091676	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+2ACN+2H"	84.067652
"1593057"	331.084328	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+K+HCOOH"	84.968628
"1417627"	361.115838	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+H+CF3COOH"	115.000138
"1147909"	185.604951	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+3ACN+2H"	125.094202
"1699654"	378.142385	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+NH4+CF3COOH"	132.026685
"1635060"	383.09778	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+Na+CF3COOH"	136.98208
"1581895"	399.07172	"C09154"	"Ellipticine"	"C17H14N2"	"246.1157"	"M+K+CF3COOH"	152.95602
"811166"	364.1886	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M"	0
"985796"	345.17021	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"76226"	241.785124	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"515788"	363.181324	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"892493"	120.388924	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"1227"	363.181324	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"448442"	545.275624	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"828430"	181.087024	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"91581"	727.369924	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"530169"	1091.558524	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"910163"	363.181324	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"59064"	744.396471	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"494251"	1108.585071	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"875335"	380.207871	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"41049"	749.351866	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"481701"	1113.540466	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"858410"	385.163266	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1631222"	385.163266	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"104472"	381.169663	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"541843"	563.263963	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"937547"	199.075363	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"276104"	763.346602	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"665973"	1127.535202	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1280933"	399.158002	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"18390"	765.325806	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"460871"	1129.514406	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"835391"	401.137206	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1558882"	401.137206	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"944939"	409.186794	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"362423"	773.375401	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"346552"	787.391051	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1492949"	423.202451	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"967426"	431.168751	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"117425"	399.158002	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"555892"	581.252302	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1034536"	217.063702	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1249740"	443.107485	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1311096"	445.163472	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1325312"	467.145429	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"915278"	477.174186	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1293081"	513.150864	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1372336"	329.175924	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1390928"	347.1859	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"293897"	729.384476	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"688875"	1093.573076	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1365586"	365.195876	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"140302"	365.195876	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"576946"	547.290176	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1050119"	183.101576	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"217290"	243.799676	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"656850"	365.195876	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1177526"	122.403476	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"434967"	746.411023	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"797059"	1110.599623	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1691202"	382.222423	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"339482"	373.7091495	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"736277"	555.8034495	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1488999"	191.6148495	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"405130"	751.366418	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"765395"	1115.555018	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1610212"	387.177818	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"323531"	376.186847	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"718143"	558.281147	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1465400"	194.092547	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1055365"	129.73079	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1263612"	397.222086	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"384372"	767.340358	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"750470"	1131.528958	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1551431"	403.151758	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"312260"	384.173817	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"705048"	566.268117	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1460327"	202.079517	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"249290"	770.411026	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1216534"	406.222426	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1205887"	203.614851	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"199851"	773.34836	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"635036"	1137.53696	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1141824"	409.15976	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"183655"	387.177818	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"622483"	569.272118	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1122709"	205.083518	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1402954"	137.058104	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1437256"	411.201346	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"229868"	392.21084	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1513923"	425.25339	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"414706"	395.164788	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"776794"	577.259088	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1670937"	213.070488	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"262198"	792.392968	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1230167"	428.204368	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1716866"	428.227893	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1181126"	144.385418	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1651382"	433.183288	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"158001"	805.29624	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"598408"	1169.48484	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1087421"	441.10764	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"146424"	403.151758	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"588172"	585.246058	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1075599"	221.057458	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1106987"	443.122192	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1335723"	443.209807	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1006310"	447.248976	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1525036"	448.242608	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"996476"	224.128126	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1594261"	449.157228	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1416277"	479.188738	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1147191"	244.641401	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1698671"	496.215285	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1634441"	501.17068	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1582005"	517.14462	"C09155"	"Phorbol"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"812369"	720.3887	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M"	0
"988094"	701.37031	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-H2O-H"	-19.01839
"68680"	479.251857333333	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M-3H"	-3.021828
"506054"	719.381424	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M-3H"	-3.021828
"883857"	239.122290666667	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-3H"	-3.021828
"2432"	719.381424	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M-2H"	-2.014552
"448552"	1079.575774	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M-2H"	-2.014552
"826353"	359.187074	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-2H"	-2.014552
"90720"	1439.770124	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M-H"	-1.007276
"527000"	2160.158824	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M-H"	-1.007276
"908933"	719.381424	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-H"	-1.007276
"55895"	1456.796671	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M-2H+NH4"	16.019271
"495456"	2177.185371	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M-2H+NH4"	16.019271
"872165"	736.407971	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-2H+NH4"	16.019271
"38973"	1461.752066	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M-2H+Na"	20.974666
"484972"	2182.140766	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M-2H+Na"	20.974666
"862773"	741.363366	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-2H+Na"	20.974666
"1632426"	741.363366	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Na-2H"	20.974666
"106767"	737.369763	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M-H+Cl"	33.962126
"540860"	1097.564113	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M-H+Cl"	33.962126
"938750"	377.175413	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-H+Cl"	33.962126
"276214"	1475.746802	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+Cl"	34.969402
"666448"	2196.135502	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+Cl"	34.969402
"1279950"	755.358102	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Cl"	34.969402
"17771"	1477.726006	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M-2H+K"	36.948606
"464261"	2198.114706	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M-2H+K"	36.948606
"838783"	757.337306	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-2H+K"	36.948606
"1558993"	757.337306	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+K-2H"	36.948606
"944687"	765.386894	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-H+HCOOH"	44.998194
"362902"	1485.775601	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+HCOOH-H"	44.998201
"346216"	1499.791251	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+Hac-H"	59.013851
"1492857"	779.402551	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Hac-H"	59.013851
"967536"	787.368851	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-H+NaCOOH"	66.980151
"119724"	755.358102	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+2Cl"	69.938804
"564390"	1115.552452	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+2Cl"	69.938804
"1033189"	395.163752	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2Cl"	69.938804
"1256700"	799.307585	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Br"	78.918885
"1311206"	801.363572	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Cl+HCOOH"	80.974872
"1327609"	823.345529	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Cl+NaCOOH"	102.956829
"914294"	833.374286	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M-H+CF3COOH"	112.985586
"1292097"	869.350964	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Cl+CF3COOH"	148.962264
"1369408"	685.376024	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H-2H2O"	-35.012676
"1389946"	703.386	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H-H2O"	-17.0027
"295833"	1441.784676	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+H"	1.007276
"686064"	2162.173376	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+H"	1.007276
"1364970"	721.395976	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H"	1.007276
"137858"	721.395976	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+2H"	2.014552
"579241"	1081.590326	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+2H"	2.014552
"1050957"	361.201626	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2H"	2.014552
"218493"	481.266409333333	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+3H"	3.021828
"659107"	721.395976	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+3H"	3.021828
"1175083"	241.136842666667	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+3H"	3.021828
"437264"	1458.811223	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+NH4"	18.033823
"799355"	2179.199923	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+NH4"	18.033823
"1695685"	738.422523	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+NH4"	18.033823
"344330"	729.9092495	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+H+NH4"	19.041099
"737478"	1090.1035995	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+H+NH4"	19.041099
"1489839"	369.7148995	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H+NH4"	19.041099
"405605"	1463.766618	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+Na"	22.989218
"763318"	2184.155318	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+Na"	22.989218
"1609229"	743.377918	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Na"	22.989218
"323642"	732.386947	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+H+Na"	23.996494
"718619"	1092.581297	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+H+Na"	23.996494
"1468790"	372.192597	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H+Na"	23.996494
"1055475"	248.464156666667	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2H+Na"	25.00377
"1265908"	753.422186	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+CH3OH+H"	33.033486
"389587"	1479.740558	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+K"	38.963158
"750945"	2200.129258	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+K"	38.963158
"1551176"	759.351858	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+K"	38.963158
"312497"	740.373917	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+H+K"	39.970434
"704064"	1100.568267	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+H+K"	39.970434
"1460926"	380.179567	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H+K"	39.970434
"249036"	1482.811226	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+ACN+H"	42.033826
"1221018"	762.422526	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+ACN+H"	42.033826
"1205997"	381.714901	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+ACN+2H"	43.041102
"198867"	1485.74856	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+2Na-H"	44.97116
"636238"	2206.13726	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+2Na-H"	44.97116
"1141931"	765.35986	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2Na-H"	44.97116
"183033"	743.377918	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+2Na"	45.978436
"623323"	1103.572268	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+2Na"	45.978436
"1121726"	383.183568	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2Na"	45.978436
"1404156"	255.791470666667	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H+2Na"	46.985712
"1438095"	767.401446	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H+HCOOH"	47.012746
"227427"	748.41094	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+3H2O+2H"	56.04448
"1515491"	781.45349	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+IsoProp+H"	61.06479
"416639"	751.364888	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+Na+K"	61.952376
"779456"	1111.559238	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+Na+K"	61.952376
"1673234"	391.170538	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Na+K"	61.952376
"263401"	1504.793168	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+ACN+Na"	64.015768
"1232464"	784.404468	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+ACN+Na"	64.015768
"1722443"	784.427993	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+NH4+HCOOH"	64.039293
"1186704"	263.118784666667	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+3Na"	68.967654
"1656597"	789.383388	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Na+HCOOH"	68.994688
"161272"	1517.69644	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+2K-H"	76.91904
"601926"	2238.08514	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+2K-H"	76.91904
"1088625"	797.30774	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2K-H"	76.91904
"149815"	759.351858	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"2M+2K"	77.926316
"591563"	1119.546208	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"3M+2K"	77.926316
"1078261"	399.157508	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2K"	77.926316
"1110014"	799.322292	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2K+H"	78.933592
"1340199"	799.409907	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+DMSO+H"	79.021207
"1008730"	803.449076	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2ACN+H"	83.060376
"1524786"	804.442708	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+IsoProp+Na+H"	84.054008
"1000960"	402.228176	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+2ACN+2H"	84.067652
"1593278"	805.357328	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+K+HCOOH"	84.968628
"1414600"	835.388838	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+H+CF3COOH"	115.000138
"1147766"	422.741451	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+3ACN+2H"	125.094202
"1697155"	852.415385	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+NH4+CF3COOH"	132.026685
"1634431"	857.37078	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+Na+CF3COOH"	136.98208
"1582115"	873.34472	"C09156"	"Epivoacorine"	"C43H52N4O6"	"720.3887"	"M+K+CF3COOH"	152.95602
"814667"	600.3662	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M"	0
"986018"	581.34781	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-H2O-H"	-19.01839
"78437"	399.236857333333	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M-3H"	-3.021828
"516006"	599.358924	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M-3H"	-3.021828
"889434"	199.114790666667	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-3H"	-3.021828
"9103"	599.358924	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M-2H"	-2.014552
"448662"	899.542024	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M-2H"	-2.014552
"827556"	299.175824	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-2H"	-2.014552
"91924"	1199.725124	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M-H"	-1.007276
"533429"	1800.091324	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M-H"	-1.007276
"908191"	599.358924	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-H"	-1.007276
"58193"	1216.751671	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M-2H+NH4"	16.019271
"493378"	1817.117871	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M-2H+NH4"	16.019271
"879082"	616.385471	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-2H+NH4"	16.019271
"42364"	1221.707066	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M-2H+Na"	20.974666
"485204"	1822.073266	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M-2H+Na"	20.974666
"863009"	621.340866	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-2H+Na"	20.974666
"1632542"	621.340866	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Na-2H"	20.974666
"103601"	617.347263	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M-H+Cl"	33.962126
"544256"	917.530363	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M-H+Cl"	33.962126
"936677"	317.164163	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-H+Cl"	33.962126
"281796"	1235.701802	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+Cl"	34.969402
"669845"	1836.068002	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+Cl"	34.969402
"1288085"	635.335602	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Cl"	34.969402
"23711"	1237.681006	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M-2H+K"	36.948606
"467645"	1838.047206	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M-2H+K"	36.948606
"836706"	637.314806	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-2H+K"	36.948606
"1562381"	637.314806	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+K-2H"	36.948606
"946983"	645.364394	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-H+HCOOH"	44.998194
"363374"	1245.730601	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+HCOOH-H"	44.998201
"346893"	1259.746251	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+Hac-H"	59.013851
"1498280"	659.380051	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Hac-H"	59.013851
"968739"	667.346351	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-H+NaCOOH"	66.980151
"119834"	635.335602	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+2Cl"	69.938804
"564499"	935.518702	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+2Cl"	69.938804
"1034393"	335.152502	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2Cl"	69.938804
"1255432"	679.285085	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Br"	78.918885
"1312409"	681.341072	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Cl+HCOOH"	80.974872
"1327719"	703.323029	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Cl+NaCOOH"	102.956829
"914405"	713.351786	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M-H+CF3COOH"	112.985586
"1290141"	749.328464	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Cl+CF3COOH"	148.962264
"1370371"	565.353524	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H-2H2O"	-35.012676
"1390055"	583.3635	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H-H2O"	-17.0027
"294848"	1201.739676	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+H"	1.007276
"686538"	1802.105876	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+H"	1.007276
"1365444"	601.373476	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H"	1.007276
"139794"	601.373476	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+2H"	2.014552
"579353"	901.556576	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+2H"	2.014552
"1050339"	301.190376	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2H"	2.014552
"218969"	401.251409333333	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+3H"	3.021828
"659546"	601.373476	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+3H"	3.021828
"1178240"	201.129342666667	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+3H"	3.021828
"438467"	1218.766223	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+NH4"	18.033823
"798368"	1819.132423	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+NH4"	18.033823
"1696688"	618.400023	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+NH4"	18.033823
"342977"	609.8867495	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+H+NH4"	19.041099
"734305"	910.0698495	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+H+NH4"	19.041099
"1492136"	309.7036495	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H+NH4"	19.041099
"407540"	1223.721618	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+Na"	22.989218
"767803"	1824.087818	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+Na"	22.989218
"1617362"	623.355418	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Na"	22.989218
"328860"	612.364447	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+H+Na"	23.996494
"720912"	912.547547	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+H+Na"	23.996494
"1471085"	312.181347	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H+Na"	23.996494
"1064330"	208.456656666667	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2H+Na"	25.00377
"1267103"	633.399686	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+CH3OH+H"	33.033486
"391520"	1239.695558	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+K"	38.963158
"753977"	1840.061758	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+K"	38.963158
"1555105"	639.329358	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+K"	38.963158
"313449"	620.351417	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+H+K"	39.970434
"704168"	920.534517	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+H+K"	39.970434
"1460426"	320.168317	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H+K"	39.970434
"249510"	1242.766226	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+ACN+H"	42.033826
"1220034"	642.400026	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+ACN+H"	42.033826
"1207201"	321.703651	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+ACN+2H"	43.041102
"197884"	1245.70356	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+2Na-H"	44.97116
"638536"	1846.06976	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+2Na-H"	44.97116
"1142772"	645.33736	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2Na-H"	44.97116
"180958"	623.355418	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+2Na"	45.978436
"624530"	923.538518	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+2Na"	45.978436
"1125120"	323.172318	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2Na"	45.978436
"1410466"	215.783970666667	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H+2Na"	46.985712
"1441852"	647.378946	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H+HCOOH"	47.012746
"231184"	628.38844	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+3H2O+2H"	56.04448
"1517788"	661.43099	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+IsoProp+H"	61.06479
"416749"	631.342388	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+Na+K"	61.952376
"781753"	931.525488	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+Na+K"	61.952376
"1672981"	331.159288	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Na+K"	61.952376
"258773"	1264.748168	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+ACN+Na"	64.015768
"1235855"	664.381968	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+ACN+Na"	64.015768
"1723648"	664.405493	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+NH4+HCOOH"	64.039293
"1187543"	223.111284666667	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+3Na"	68.967654
"1654521"	669.360888	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Na+HCOOH"	68.994688
"165391"	1277.65144	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+2K-H"	76.91904
"602036"	1878.01764	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+2K-H"	76.91904
"1090922"	677.28524	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2K-H"	76.91904
"152841"	639.329358	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"2M+2K"	77.926316
"591674"	939.512458	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"3M+2K"	77.926316
"1075091"	339.146258	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2K"	77.926316
"1111219"	679.299792	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2K+H"	78.933592
"1343590"	679.387407	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+DMSO+H"	79.021207
"1008840"	683.426576	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2ACN+H"	83.060376
"1530244"	684.420208	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+IsoProp+Na+H"	84.054008
"996696"	342.216926	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+2ACN+2H"	84.067652
"1588403"	685.334828	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+K+HCOOH"	84.968628
"1415156"	715.366338	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+H+CF3COOH"	115.000138
"1147306"	362.730201	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+3ACN+2H"	125.094202
"1697226"	732.392885	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+NH4+CF3COOH"	132.026685
"1634242"	737.34828	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+Na+CF3COOH"	136.98208
"1582225"	753.32222	"C09157"	"Phorbol 12-tiglate 13-decanoate"	"C35H52O8"	"600.3662"	"M+K+CF3COOH"	152.95602
"812589"	416.1624	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M"	0
"986126"	397.14401	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-H2O-H"	-19.01839
"65620"	276.434324	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M-3H"	-3.021828
"506638"	415.155124	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M-3H"	-3.021828
"882255"	137.713524	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-3H"	-3.021828
"1557"	415.155124	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M-2H"	-2.014552
"444399"	623.236324	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M-2H"	-2.014552
"821106"	207.073924	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-2H"	-2.014552
"86566"	831.317524	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M-H"	-1.007276
"527219"	1247.479924	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M-H"	-1.007276
"905021"	415.155124	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-H"	-1.007276
"53929"	848.344071	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M-2H+NH4"	16.019271
"493487"	1264.506471	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M-2H+NH4"	16.019271
"878582"	432.181671	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-2H+NH4"	16.019271
"40287"	853.299466	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M-2H+Na"	20.974666
"482035"	1269.461866	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M-2H+Na"	20.974666
"862387"	437.137066	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-2H+Na"	20.974666
"1632647"	437.137066	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Na-2H"	20.974666
"99337"	433.143463	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M-H+Cl"	33.962126
"543273"	641.224663	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M-H+Cl"	33.962126
"934600"	225.062263	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-H+Cl"	33.962126
"281543"	867.294202	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+Cl"	34.969402
"666675"	1283.456602	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+Cl"	34.969402
"1285639"	451.131802	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Cl"	34.969402
"17624"	869.273406	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M-2H+K"	36.948606
"461195"	1285.435806	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M-2H+K"	36.948606
"836815"	453.111006	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-2H+K"	36.948606
"1562491"	453.111006	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+K-2H"	36.948606
"947093"	461.160594	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-H+HCOOH"	44.998194
"362026"	877.323001	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+HCOOH-H"	44.998201
"347003"	891.338651	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+Hac-H"	59.013851
"1495109"	475.176251	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Hac-H"	59.013851
"963745"	483.142551	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-H+NaCOOH"	66.980151
"119944"	451.131802	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+2Cl"	69.938804
"562786"	659.213002	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+2Cl"	69.938804
"1031587"	243.050602	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2Cl"	69.938804
"1251165"	495.081285	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Br"	78.918885
"1318354"	497.137272	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Cl+HCOOH"	80.974872
"1327828"	519.119229	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Cl+NaCOOH"	102.956829
"915609"	529.147986	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M-H+CF3COOH"	112.985586
"1291222"	565.124664	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Cl+CF3COOH"	148.962264
"1371209"	381.149724	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H-2H2O"	-35.012676
"1389072"	399.1597	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H-H2O"	-17.0027
"294961"	833.332076	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+H"	1.007276
"686648"	1249.494476	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+H"	1.007276
"1365190"	417.169676	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H"	1.007276
"139541"	417.169676	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+2H"	2.014552
"579463"	625.250876	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+2H"	2.014552
"1050085"	209.088476	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2H"	2.014552
"218349"	278.448876	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+3H"	3.021828
"659368"	417.169676	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+3H"	3.021828
"1177615"	139.728076	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+3H"	3.021828
"437484"	850.358623	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+NH4"	18.033823
"798115"	1266.521023	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+NH4"	18.033823
"1695542"	434.196223	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+NH4"	18.033823
"341994"	425.6829495	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+H+NH4"	19.041099
"733322"	633.7641495	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+H+NH4"	19.041099
"1487873"	217.6017495	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H+NH4"	19.041099
"407651"	855.314018	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+Na"	22.989218
"767913"	1271.476418	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+Na"	22.989218
"1617839"	439.151618	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Na"	22.989218
"329656"	428.160647	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+H+Na"	23.996494
"719198"	636.241847	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+H+Na"	23.996494
"1469008"	220.079447	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H+Na"	23.996494
"1062254"	147.05539	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2H+Na"	25.00377
"1267213"	449.195886	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+CH3OH+H"	33.033486
"391995"	871.287958	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+K"	38.963158
"753356"	1287.450358	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+K"	38.963158
"1555374"	455.125558	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+K"	38.963158
"311129"	436.147617	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+H+K"	39.970434
"706306"	644.228817	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+H+K"	39.970434
"1461190"	228.066417	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H+K"	39.970434
"250351"	874.358626	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+ACN+H"	42.033826
"1217958"	458.196226	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+ACN+H"	42.033826
"1202933"	229.601751	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+ACN+2H"	43.041102
"194713"	877.29596	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+2Na-H"	44.97116
"636460"	1293.45836	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+2Na-H"	44.97116
"1141057"	461.13356	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2Na-H"	44.97116
"184348"	439.151618	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+2Na"	45.978436
"623910"	647.232818	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+2Na"	45.978436
"1123043"	231.070418	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2Na"	45.978436
"1408753"	154.382704	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H+2Na"	46.985712
"1441597"	463.175146	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H+HCOOH"	47.012746
"230197"	444.18464	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+3H2O+2H"	56.04448
"1517533"	477.22719	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+IsoProp+H"	61.06479
"419775"	447.138588	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+Na+K"	61.952376
"782595"	655.219788	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+Na+K"	61.952376
"1676374"	239.057388	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Na+K"	61.952376
"258883"	896.340568	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+ACN+Na"	64.015768
"1233778"	480.178168	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+ACN+Na"	64.015768
"1722664"	480.201693	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+NH4+HCOOH"	64.039293
"1188018"	161.710018	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+3Na"	68.967654
"1653538"	485.157088	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Na+HCOOH"	68.994688
"165866"	909.24384	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+2K-H"	76.91904
"606520"	1325.40624	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+2K-H"	76.91904
"1093219"	493.08144	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2K-H"	76.91904
"154410"	455.125558	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"2M+2K"	77.926316
"592878"	663.206758	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"3M+2K"	77.926316
"1075201"	247.044358	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2K"	77.926316
"1111692"	495.095992	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2K+H"	78.933592
"1343700"	495.183607	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+DMSO+H"	79.021207
"1012230"	499.222776	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2ACN+H"	83.060376
"1533634"	500.216408	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+IsoProp+Na+H"	84.054008
"996806"	250.115026	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+2ACN+2H"	84.067652
"1588151"	501.131028	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+K+HCOOH"	84.968628
"1414902"	531.162538	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+H+CF3COOH"	115.000138
"1147417"	270.628301	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+3ACN+2H"	125.094202
"1697074"	548.189085	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+NH4+CF3COOH"	132.026685
"1634251"	553.14448	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+Na+CF3COOH"	136.98208
"1582335"	569.11842	"C09158"	"Calophyllolide"	"C26H24O5"	"416.1624"	"M+K+CF3COOH"	152.95602
"814888"	302.2246	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M"	0
"989155"	283.20621	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"72292"	200.475790666667	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"516225"	301.217324	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"885278"	99.7342573333333	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"2031"	301.217324	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"445601"	452.329624	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"827778"	150.105024	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"87771"	603.441924	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"529517"	905.666524	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"908413"	301.217324	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"57320"	620.468471	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"500158"	922.693071	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"878327"	318.243871	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"42584"	625.423866	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"485431"	927.648466	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"862136"	323.199266	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1632029"	323.199266	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"101634"	319.205663	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"544476"	470.317963	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"936533"	168.093363	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"282382"	639.418602	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"673345"	941.643202	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1286842"	337.194002	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"18827"	641.397806	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"461305"	943.622406	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"845672"	339.173206	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1562601"	339.173206	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"950483"	347.222794	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"366511"	649.447401	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"350394"	663.463051	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1499228"	361.238451	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"963491"	369.204751	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"115679"	337.194002	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"555239"	488.306302	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1034977"	186.081702	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1252369"	381.143485	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1310442"	383.199472	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1326849"	405.181429	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"916812"	415.210186	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1297897"	451.186864	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1379706"	267.211924	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1390277"	285.2219	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"294344"	605.456476	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"688953"	907.681076	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1363479"	303.231876	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"138554"	303.231876	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"578480"	454.344176	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1048371"	152.119576	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"217973"	202.490342666667	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"656926"	303.231876	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1172135"	101.748809333333	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"432127"	622.483023	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"794944"	924.707623	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1693462"	320.258423	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"342103"	311.7451495	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"727964"	462.8574495	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1485063"	160.6328495	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"401558"	627.438418	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"760366"	929.663018	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1608464"	325.213818	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"320686"	314.222847	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"716390"	465.335147	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1463651"	163.110547	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1057989"	109.076123333333	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1272429"	335.258086	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"392345"	643.412358	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"752372"	945.636958	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1552234"	341.187758	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"314240"	322.209817	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"702201"	473.322117	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1460640"	171.097517	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"250336"	646.483026	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1225439"	344.258426	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1204135"	172.632851	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"198100"	649.42036	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"634384"	951.64496	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1138616"	347.19576	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"183000"	325.213818	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"621832"	476.326118	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1117683"	174.101518	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1399625"	116.403437333333	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1432228"	349.237346	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"223016"	330.24684	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1512172"	363.28939	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"419885"	333.200788	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"781609"	484.313088	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1676847"	182.088488	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"263004"	668.464968	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1236441"	366.240368	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1721680"	366.263893	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1185941"	123.730751333333	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1660206"	371.219288	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"164880"	681.36824	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"608814"	983.59284	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1098432"	379.14364	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"155248"	341.187758	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"593715"	492.300058	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1080779"	190.075458	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1115411"	381.158192	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1349887"	381.245807	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1018901"	385.284976	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1537024"	386.278608	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"996916"	193.146126	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1591421"	387.193228	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1417080"	417.224738	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1147853"	213.659401	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1697405"	434.251285	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1634220"	439.20668	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1582445"	455.18062	"C09159"	"()-Pimaric acid;Dextropimaric acid"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"810623"	267.1372	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M"	0
"988171"	248.11881	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-H2O-H"	-19.01839
"75683"	177.084190666667	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M-3H"	-3.021828
"516338"	266.129924	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M-3H"	-3.021828
"888672"	88.0384573333333	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-3H"	-3.021828
"8338"	266.129924	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M-2H"	-2.014552
"446806"	399.698524	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M-2H"	-2.014552
"826795"	132.561324	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-2H"	-2.014552
"86787"	533.267124	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M-H"	-1.007276
"528533"	800.404324	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M-H"	-1.007276
"907429"	266.129924	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-H"	-1.007276
"58523"	550.293671	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M-2H+NH4"	16.019271
"500877"	817.430871	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M-2H+NH4"	16.019271
"875886"	283.156471	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-2H+NH4"	16.019271
"44518"	555.249066	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M-2H+Na"	20.974666
"485539"	822.386266	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M-2H+Na"	20.974666
"860785"	288.111866	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-2H+Na"	20.974666
"1632142"	288.111866	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Na-2H"	20.974666
"101746"	284.118263	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M-H+Cl"	33.962126
"542399"	417.686863	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M-H+Cl"	33.962126
"932635"	150.549663	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-H+Cl"	33.962126
"281279"	569.243802	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+Cl"	34.969402
"673458"	836.381002	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+Cl"	34.969402
"1283671"	302.106602	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Cl"	34.969402
"24041"	571.223006	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M-2H+K"	36.948606
"464695"	838.360206	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M-2H+K"	36.948606
"839221"	304.085806	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-2H+K"	36.948606
"1562711"	304.085806	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+K-2H"	36.948606
"949502"	312.135394	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-H+HCOOH"	44.998194
"373916"	579.272601	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+HCOOH-H"	44.998201
"351597"	593.288251	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+Hac-H"	59.013851
"1500431"	326.151051	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Hac-H"	59.013851
"963601"	334.117351	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-H+NaCOOH"	66.980151
"116883"	302.106602	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+2Cl"	69.938804
"556443"	435.675202	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+2Cl"	69.938804
"1031806"	168.538002	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2Cl"	69.938804
"1252479"	346.056085	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Br"	78.918885
"1307272"	348.112072	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Cl+HCOOH"	80.974872
"1326959"	370.094029	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Cl+NaCOOH"	102.956829
"916924"	380.122786	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M-H+CF3COOH"	112.985586
"1295821"	416.099464	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Cl+CF3COOH"	148.962264
"1380180"	232.124524	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H-2H2O"	-35.012676
"1388199"	250.1345	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H-H2O"	-17.0027
"296643"	535.281676	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+H"	1.007276
"688333"	802.418876	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+H"	1.007276
"1364318"	268.144476	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H"	1.007276
"139030"	268.144476	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+2H"	2.014552
"577498"	401.713076	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+2H"	2.014552
"1051401"	134.575876	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2H"	2.014552
"217841"	179.098742666667	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+3H"	3.021828
"657403"	268.144476	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+3H"	3.021828
"1170059"	90.0530093333333	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+3H"	3.021828
"434425"	552.308223	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+NH4"	18.033823
"796513"	819.445423	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+NH4"	18.033823
"1692114"	285.171023	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+NH4"	18.033823
"340027"	276.6577495	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+H+NH4"	19.041099
"730261"	410.2263495	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+H+NH4"	19.041099
"1485176"	143.0891495	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H+NH4"	19.041099
"399482"	557.263618	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+Na"	22.989218
"763758"	824.400818	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+Na"	22.989218
"1607482"	290.126418	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Na"	22.989218
"319704"	279.135447	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+H+Na"	23.996494
"716500"	412.704047	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+H+Na"	23.996494
"1471415"	145.566847	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H+Na"	23.996494
"1063567"	97.3803233333333	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2H+Na"	25.00377
"1271690"	300.170686	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+CH3OH+H"	33.033486
"388932"	573.237558	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+K"	38.963158
"747380"	840.374758	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+K"	38.963158
"1553444"	306.100358	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+K"	38.963158
"313170"	287.122417	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+H+K"	39.970434
"701947"	420.691017	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+H+K"	39.970434
"1460507"	153.553817	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H+K"	39.970434
"249959"	576.308226	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+ACN+H"	42.033826
"1225344"	309.171026	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+ACN+H"	42.033826
"1209191"	155.089151	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+ACN+2H"	43.041102
"203079"	579.24556	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+2Na-H"	44.97116
"633399"	846.38276	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+2Na-H"	44.97116
"1135812"	312.10836	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2Na-H"	44.97116
"179101"	290.126418	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+2Na"	45.978436
"618661"	423.695018	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+2Na"	45.978436
"1123263"	156.557818	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2Na"	45.978436
"1405691"	104.707637333333	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H+2Na"	46.985712
"1431120"	314.149946	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H+HCOOH"	47.012746
"223127"	295.15944	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+3H2O+2H"	56.04448
"1519579"	328.20199	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+IsoProp+H"	61.06479
"421090"	298.113388	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+Na+K"	61.952376
"778440"	431.681988	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+Na+K"	61.952376
"1677687"	164.544788	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Na+K"	61.952376
"264209"	598.290168	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+ACN+Na"	64.015768
"1236917"	331.152968	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+ACN+Na"	64.015768
"1723980"	331.176493	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+NH4+HCOOH"	64.039293
"1187148"	112.034951333333	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+3Na"	68.967654
"1660320"	336.131888	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Na+HCOOH"	68.994688
"170461"	611.19344	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+2K-H"	76.91904
"606740"	878.33064	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+2K-H"	76.91904
"1095262"	344.05624	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2K-H"	76.91904
"151351"	306.100358	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"2M+2K"	77.926316
"595775"	439.668958	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"3M+2K"	77.926316
"1082956"	172.531758	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2K"	77.926316
"1115193"	346.070792	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2K+H"	78.933592
"1349389"	346.158407	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+DMSO+H"	79.021207
"1013546"	350.197576	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2ACN+H"	83.060376
"1534950"	351.191208	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+IsoProp+Na+H"	84.054008
"1000306"	175.602426	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+2ACN+2H"	84.067652
"1593717"	352.105828	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+K+HCOOH"	84.968628
"1414396"	382.137338	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+H+CF3COOH"	115.000138
"1147355"	196.115701	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+3ACN+2H"	125.094202
"1697274"	399.163885	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+NH4+CF3COOH"	132.026685
"1634227"	404.11928	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+Na+CF3COOH"	136.98208
"1582555"	420.09322	"C09160"	"Ergine;Lysergamide"	"C16H17N3O"	"267.1372"	"M+K+CF3COOH"	152.95602
"812921"	638.3455	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M"	0
"987551"	619.32711	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-H2O-H"	-19.01839
"75792"	424.556390666667	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M-3H"	-3.021828
"516448"	637.338224	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M-3H"	-3.021828
"892063"	211.774557333333	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-3H"	-3.021828
"8450"	637.338224	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M-2H"	-2.014552
"452384"	956.510974	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M-2H"	-2.014552
"831159"	318.165474	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-2H"	-2.014552
"90177"	1275.683724	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M-H"	-1.007276
"529738"	1914.029224	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M-H"	-1.007276
"908631"	637.338224	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-H"	-1.007276
"60820"	1292.710271	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M-2H+NH4"	16.019271
"498193"	1931.055771	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M-2H+NH4"	16.019271
"875996"	654.364771	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-2H+NH4"	16.019271
"40617"	1297.665666	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M-2H+Na"	20.974666
"483457"	1936.011166	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M-2H+Na"	20.974666
"862354"	659.320166	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-2H+Na"	20.974666
"1631764"	659.320166	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Na-2H"	20.974666
"102951"	655.326563	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M-H+Cl"	33.962126
"541417"	974.499313	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M-H+Cl"	33.962126
"936027"	336.153813	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-H+Cl"	33.962126
"278959"	1311.660402	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+Cl"	34.969402
"671378"	1950.005902	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+Cl"	34.969402
"1287061"	673.314902	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Cl"	34.969402
"20871"	1313.639606	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M-2H+K"	36.948606
"464805"	1951.985106	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M-2H+K"	36.948606
"839331"	675.294106	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-2H+K"	36.948606
"1568290"	675.294106	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+K-2H"	36.948606
"952894"	683.343694	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-H+HCOOH"	44.998194
"372933"	1321.689201	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+HCOOH-H"	44.998201
"348427"	1335.704851	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+Hac-H"	59.013851
"1502728"	697.359351	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Hac-H"	59.013851
"964804"	705.325651	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-H+NaCOOH"	66.980151
"120274"	673.314902	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+2Cl"	69.938804
"560928"	992.487652	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+2Cl"	69.938804
"1036656"	354.142152	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2Cl"	69.938804
"1252589"	717.264385	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Br"	78.918885
"1313942"	719.320372	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Cl+HCOOH"	80.974872
"1325975"	741.302329	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Cl+NaCOOH"	102.956829
"914847"	751.331086	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M-H+CF3COOH"	112.985586
"1298119"	787.307764	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Cl+CF3COOH"	148.962264
"1379197"	603.332824	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H-2H2O"	-35.012676
"1388309"	621.3428	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H-H2O"	-17.0027
"297114"	1277.698276	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+H"	1.007276
"690265"	1916.043776	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+H"	1.007276
"1365157"	639.352776	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H"	1.007276
"138046"	639.352776	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+2H"	2.014552
"577972"	958.525526	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+2H"	2.014552
"1051027"	320.180026	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2H"	2.014552
"217222"	426.570942666667	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+3H"	3.021828
"658487"	639.352776	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+3H"	3.021828
"1173449"	213.789109333333	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+3H"	3.021828
"434535"	1294.724823	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+NH4"	18.033823
"796623"	1933.070323	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+NH4"	18.033823
"1692952"	656.379323	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+NH4"	18.033823
"340138"	647.8660495	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+H+NH4"	19.041099
"731465"	967.0387995	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+H+NH4"	19.041099
"1485286"	328.6932995	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H+NH4"	19.041099
"401779"	1299.680218	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+Na"	22.989218
"763868"	1938.025718	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+Na"	22.989218
"1609779"	661.334718	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Na"	22.989218
"319814"	650.343747	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+H+Na"	23.996494
"716610"	969.516497	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+H+Na"	23.996494
"1474809"	331.170997	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H+Na"	23.996494
"1063677"	221.116423333333	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2H+Na"	25.00377
"1270828"	671.378986	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+CH3OH+H"	33.033486
"389406"	1315.654158	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+K"	38.963158
"750407"	1953.999658	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+K"	38.963158
"1553918"	677.308658	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+K"	38.963158
"313407"	658.330717	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+H+K"	39.970434
"706071"	977.503467	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+H+K"	39.970434
"1460378"	339.157967	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H+K"	39.970434
"248489"	1318.724826	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+ACN+H"	42.033826
"1219374"	680.379326	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+ACN+H"	42.033826
"1207642"	340.693301	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+ACN+2H"	43.041102
"201243"	1321.66216	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+2Na-H"	44.97116
"631322"	1960.00766	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+2Na-H"	44.97116
"1134828"	683.31666	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2Na-H"	44.97116
"175932"	661.334718	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+2Na"	45.978436
"615491"	980.507468	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+2Na"	45.978436
"1121187"	342.161968	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2Na"	45.978436
"1401427"	228.443737333333	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H+2Na"	46.985712
"1430745"	685.358246	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H+HCOOH"	47.012746
"224330"	666.36774	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+3H2O+2H"	56.04448
"1519326"	699.41029	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+IsoProp+H"	61.06479
"416460"	669.321688	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+Na+K"	61.952376
"775269"	988.494438	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+Na+K"	61.952376
"1677796"	350.148938	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Na+K"	61.952376
"263222"	1340.706768	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+ACN+Na"	64.015768
"1238486"	702.361268	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+ACN+Na"	64.015768
"1724090"	702.384793	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+NH4+HCOOH"	64.039293
"1188350"	235.771051333333	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+3Na"	68.967654
"1660430"	707.340188	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Na+HCOOH"	68.994688
"168384"	1353.61004	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+2K-H"	76.91904
"604663"	1991.95554	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+2K-H"	76.91904
"1098289"	715.26454	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2K-H"	76.91904
"150368"	677.308658	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"2M+2K"	77.926316
"596493"	996.481408	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"3M+2K"	77.926316
"1083916"	358.135908	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2K"	77.926316
"1114208"	717.279092	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2K+H"	78.933592
"1349500"	717.366707	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+DMSO+H"	79.021207
"1013657"	721.405876	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2ACN+H"	83.060376
"1531780"	722.399508	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+IsoProp+Na+H"	84.054008
"997137"	361.206576	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+2ACN+2H"	84.067652
"1591640"	723.314128	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+K+HCOOH"	84.968628
"1415113"	753.345638	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+H+CF3COOH"	115.000138
"1147143"	381.719851	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+3ACN+2H"	125.094202
"1697035"	770.372185	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+NH4+CF3COOH"	132.026685
"1635346"	775.32758	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+Na+CF3COOH"	136.98208
"1582665"	791.30152	"C09161"	"Pimelea factor P2;Daphnopsis factor R1"	"C37H50O9"	"638.3455"	"M+K+CF3COOH"	152.95602
"810843"	561.2951	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M"	0
"987661"	542.27671	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-H2O-H"	-19.01839
"75902"	373.189457333333	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M-3H"	-3.021828
"516558"	560.287824	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M-3H"	-3.021828
"894118"	186.091090666667	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-3H"	-3.021828
"8560"	560.287824	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M-2H"	-2.014552
"453587"	840.935374	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M-2H"	-2.014552
"830296"	279.640274	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-2H"	-2.014552
"92353"	1121.582924	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M-H"	-1.007276
"532033"	1682.878024	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M-H"	-1.007276
"908741"	560.287824	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-H"	-1.007276
"61662"	1138.609471	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M-2H+NH4"	16.019271
"500489"	1699.904571	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M-2H+NH4"	16.019271
"876104"	577.314371	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-2H+NH4"	16.019271
"42914"	1143.564866	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M-2H+Na"	20.974666
"484662"	1704.859966	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M-2H+Na"	20.974666
"863194"	582.269766	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-2H+Na"	20.974666
"1632362"	582.269766	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Na-2H"	20.974666
"101967"	578.276163	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M-H+Cl"	33.962126
"543714"	858.923713	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M-H+Cl"	33.962126
"935044"	297.628613	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-H+Cl"	33.962126
"277976"	1157.559602	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+Cl"	34.969402
"674041"	1718.854702	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+Cl"	34.969402
"1286078"	596.264502	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Cl"	34.969402
"20981"	1159.538806	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M-2H+K"	36.948606
"461634"	1720.833906	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M-2H+K"	36.948606
"839441"	598.243706	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-2H+K"	36.948606
"1568400"	598.243706	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+K-2H"	36.948606
"951910"	606.293294	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-H+HCOOH"	44.998194
"373407"	1167.588401	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+HCOOH-H"	44.998201
"354009"	1181.604051	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+Hac-H"	59.013851
"1502838"	620.308951	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Hac-H"	59.013851
"964913"	628.275251	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-H+NaCOOH"	66.980151
"118197"	596.264502	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+2Cl"	69.938804
"561038"	876.912052	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+2Cl"	69.938804
"1034943"	315.616952	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2Cl"	69.938804
"1252699"	640.213985	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Br"	78.918885
"1312958"	642.269972	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Cl+HCOOH"	80.974872
"1324989"	664.251929	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Cl+NaCOOH"	102.956829
"916412"	674.280686	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M-H+CF3COOH"	112.985586
"1294949"	710.257364	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Cl+CF3COOH"	148.962264
"1376390"	526.282424	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H-2H2O"	-35.012676
"1388419"	544.2924	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H-H2O"	-17.0027
"297587"	1123.597476	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+H"	1.007276
"688184"	1684.892576	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+H"	1.007276
"1366361"	562.302376	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H"	1.007276
"139980"	562.302376	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+2H"	2.014552
"579174"	842.949926	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+2H"	2.014552
"1049431"	281.654826	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2H"	2.014552
"216240"	375.204009333333	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+3H"	3.021828
"653977"	562.302376	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+3H"	3.021828
"1175018"	188.105642666667	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+3H"	3.021828
"432458"	1140.624023	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+NH4"	18.033823
"794547"	1701.919123	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+NH4"	18.033823
"1691969"	579.328923	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+NH4"	18.033823
"339155"	570.8156495	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+H+NH4"	19.041099
"730482"	851.4631995	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+H+NH4"	19.041099
"1485396"	290.1680995	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H+NH4"	19.041099
"401889"	1145.579418	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+Na"	22.989218
"763978"	1706.874518	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+Na"	22.989218
"1613170"	584.284318	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Na"	22.989218
"318832"	573.293347	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+H+Na"	23.996494
"717814"	853.940897	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+H+Na"	23.996494
"1475647"	292.645797	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H+Na"	23.996494
"1063787"	195.432956666667	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2H+Na"	25.00377
"1271302"	594.328586	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+CH3OH+H"	33.033486
"386958"	1161.553358	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+K"	38.963158
"747222"	1722.848458	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+K"	38.963158
"1548183"	600.258258	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+K"	38.963158
"312294"	581.280317	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+H+K"	39.970434
"706541"	861.927867	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+H+K"	39.970434
"1460731"	300.632767	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H+K"	39.970434
"248963"	1164.624026	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+ACN+H"	42.033826
"1222764"	603.328926	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+ACN+H"	42.033826
"1208112"	302.168101	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+ACN+2H"	43.041102
"202322"	1167.56136	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+2Na-H"	44.97116
"632528"	1728.85646	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+2Na-H"	44.97116
"1133843"	606.26626	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2Na-H"	44.97116
"178228"	584.284318	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+2Na"	45.978436
"615601"	864.931868	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+2Na"	45.978436
"1120204"	303.636768	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2Na"	45.978436
"1400444"	202.760270666667	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H+2Na"	46.985712
"1432558"	608.307846	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H+HCOOH"	47.012746
"223349"	589.31734	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+3H2O+2H"	56.04448
"1513602"	622.35989	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+IsoProp+H"	61.06479
"416570"	592.271288	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+Na+K"	61.952376
"774286"	872.918838	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+Na+K"	61.952376
"1670617"	311.623738	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Na+K"	61.952376
"262603"	1186.605968	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+ACN+Na"	64.015768
"1240052"	625.310868	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+ACN+Na"	64.015768
"1726386"	625.334393	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+NH4+HCOOH"	64.039293
"1185180"	210.087584666667	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+3Na"	68.967654
"1660539"	630.289788	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Na+HCOOH"	68.994688
"163028"	1199.50924	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+2K-H"	76.91904
"606961"	1760.80434	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+2K-H"	76.91904
"1098642"	638.21414	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2K-H"	76.91904
"155703"	600.258258	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"2M+2K"	77.926316
"595505"	880.905808	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"3M+2K"	77.926316
"1082933"	319.610708	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2K"	77.926316
"1114197"	640.228692	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2K+H"	78.933592
"1349367"	640.316307	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+DMSO+H"	79.021207
"1014860"	644.355476	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2ACN+H"	83.060376
"1531891"	645.349108	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+IsoProp+Na+H"	84.054008
"994330"	322.681376	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+2ACN+2H"	84.067652
"1591750"	646.263728	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+K+HCOOH"	84.968628
"1415588"	676.295238	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+H+CF3COOH"	115.000138
"1148792"	343.194651	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+3ACN+2H"	125.094202
"1697614"	693.321785	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+NH4+CF3COOH"	132.026685
"1635456"	698.27718	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+Na+CF3COOH"	136.98208
"1582775"	714.25112	"C09162"	"Ergocornine"	"C31H39N5O5"	"561.2951"	"M+K+CF3COOH"	152.95602
"812046"	316.2038	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M"	0
"989351"	297.18541	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"76742"	209.795257333333	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"512294"	315.196524	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"889003"	104.393990666667	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"11950"	315.196524	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"451511"	473.298424	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"830406"	157.094624	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"92584"	631.400324	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"524488"	947.604124	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"905570"	315.196524	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"61040"	648.426871	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"499505"	964.630671	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"878401"	332.223071	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"46552"	653.382266	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"486593"	969.586066	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"862572"	337.178466	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1628824"	337.178466	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"102075"	333.184863	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"544915"	491.286763	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"937339"	175.082963	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"279176"	667.377002	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"674637"	983.580802	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1286188"	351.173202	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"21091"	669.356206	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"462837"	985.560006	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"839551"	353.152406	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1568510"	353.152406	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"954207"	361.201994	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"375948"	677.405801	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"355212"	691.421451	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1506228"	375.217651	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"962836"	383.183951	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"115026"	351.173202	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"561148"	509.275102	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1032136"	193.071302	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1254997"	395.122685	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1314162"	397.178672	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1328380"	419.160629	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"915429"	429.189386	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1292872"	465.166064	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1377593"	281.191124	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1388529"	299.2011	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"295508"	633.414876	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"687930"	949.618676	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1365013"	317.211076	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"140454"	317.211076	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"578191"	475.312976	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1049541"	159.109176	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"215621"	211.809809333333	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"654451"	317.211076	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1172576"	106.408542666667	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"430381"	650.441423	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"793564"	966.645223	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1689893"	334.237623	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"337078"	325.7243495	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"729498"	483.8262495	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1485506"	167.6224495	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"398719"	655.396818	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"764088"	971.600618	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1613280"	339.193018	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"322222"	328.202047	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"717923"	486.303947	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1472836"	170.100147	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1066085"	113.735856666667	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1270318"	349.237286	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"385244"	671.370758	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"748061"	987.574558	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1549022"	355.166958	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"313740"	336.189017	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"706652"	494.290917	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1461274"	178.087117	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"249073"	674.441426	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1223967"	358.237626	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1208222"	179.622451	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"202191"	677.37876	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"638102"	993.58256	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1135046"	361.17496	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"178338"	339.193018	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"615711"	497.294918	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1121406"	181.091118	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1400553"	121.063170666667	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1431696"	363.216546	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"225644"	344.22604	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1514805"	377.26859	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"415587"	347.179988	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"781686"	505.281888	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1675101"	189.078088	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"261620"	696.423368	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1234329"	380.219568	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1723216"	380.243093	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1186383"	128.390484666667	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1660649"	385.198488	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"166418"	709.32664	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"610352"	1025.53044	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1099610"	393.12284	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"154842"	355.166958	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"595982"	513.268858	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1080125"	197.065058	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1113334"	395.137392	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1346438"	395.225007	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1017156"	399.264176	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1532001"	400.257808	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"993347"	200.135726	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1591860"	401.172428	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1415210"	431.203938	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1148172"	220.649001	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1697129"	448.230485	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1634836"	453.18588	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1582885"	469.15982	"C09163"	"Pisiferic acid"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"812156"	609.2951	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M"	0
"989625"	590.27671	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-H2O-H"	-19.01839
"77581"	405.189457333333	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M-3H"	-3.021828
"510217"	608.287824	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M-3H"	-3.021828
"891299"	202.091090666667	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-3H"	-3.021828
"9873"	608.287824	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M-2H"	-2.014552
"450528"	912.935374	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M-2H"	-2.014552
"830516"	303.640274	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-2H"	-2.014552
"90508"	1217.582924	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M-H"	-1.007276
"531159"	1826.878024	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M-H"	-1.007276
"905680"	608.287824	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-H"	-1.007276
"58963"	1234.609471	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M-2H+NH4"	16.019271
"496335"	1843.904571	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M-2H+NH4"	16.019271
"877417"	625.314371	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-2H+NH4"	16.019271
"46419"	1239.564866	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M-2H+Na"	20.974666
"483787"	1848.859966	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M-2H+Na"	20.974666
"860495"	630.269766	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-2H+Na"	20.974666
"1628934"	630.269766	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Na-2H"	20.974666
"101091"	626.276163	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M-H+Cl"	33.962126
"540651"	930.923713	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M-H+Cl"	33.962126
"933075"	321.628613	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-H+Cl"	33.962126
"277099"	1253.559602	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+Cl"	34.969402
"675072"	1862.854702	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+Cl"	34.969402
"1286298"	644.264502	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Cl"	34.969402
"20107"	1255.538806	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M-2H+K"	36.948606
"458573"	1864.833906	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M-2H+K"	36.948606
"839661"	646.243706	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-2H+K"	36.948606
"1566433"	646.243706	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+K-2H"	36.948606
"953953"	654.293294	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-H+HCOOH"	44.998194
"375815"	1263.588401	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+HCOOH-H"	44.998201
"357144"	1277.604051	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+Hac-H"	59.013851
"1505246"	668.308951	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Hac-H"	59.013851
"960758"	676.275251	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-H+NaCOOH"	66.980151
"112582"	644.264502	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+2Cl"	69.938804
"560164"	948.912052	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+2Cl"	69.938804
"1030059"	339.616952	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2Cl"	69.938804
"1255107"	688.213985	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Br"	78.918885
"1315365"	690.269972	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Cl+HCOOH"	80.974872
"1326303"	712.251929	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Cl+NaCOOH"	102.956829
"918090"	722.280686	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M-H+CF3COOH"	112.985586
"1295168"	758.257364	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Cl+CF3COOH"	148.962264
"1376609"	574.282424	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H-2H2O"	-35.012676
"1389732"	592.2924	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H-H2O"	-17.0027
"295618"	1219.597476	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+H"	1.007276
"687676"	1828.892576	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+H"	1.007276
"1366769"	610.302376	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H"	1.007276
"141051"	610.302376	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+2H"	2.014552
"579394"	914.949926	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+2H"	2.014552
"1050745"	305.654826	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2H"	2.014552
"217189"	407.204009333333	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+3H"	3.021828
"654197"	610.302376	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+3H"	3.021828
"1172322"	204.105642666667	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+3H"	3.021828
"432677"	1236.624023	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+NH4"	18.033823
"793674"	1845.919123	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+NH4"	18.033823
"1691825"	627.328923	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+NH4"	18.033823
"339374"	618.8156495	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+H+NH4"	19.041099
"729608"	923.4631995	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+H+NH4"	19.041099
"1487802"	314.1680995	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H+NH4"	19.041099
"402109"	1241.579418	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+Na"	22.989218
"765291"	1850.874518	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+Na"	22.989218
"1613390"	632.284318	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Na"	22.989218
"322332"	621.293347	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+H+Na"	23.996494
"716942"	925.940897	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+H+Na"	23.996494
"1470760"	316.645797	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H+Na"	23.996494
"1065468"	211.432956666667	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2H+Na"	25.00377
"1270792"	642.328586	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+CH3OH+H"	33.033486
"384990"	1257.553358	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+K"	38.963158
"747807"	1866.848458	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+K"	38.963158
"1548403"	648.258258	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+K"	38.963158
"313123"	629.280317	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+H+K"	39.970434
"705669"	933.927867	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+H+K"	39.970434
"1460461"	324.632767	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H+K"	39.970434
"250764"	1260.624026	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+ACN+H"	42.033826
"1220797"	651.328926	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+ACN+H"	42.033826
"1208694"	326.168101	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+ACN+2H"	43.041102
"203029"	1263.56136	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+2Na-H"	44.97116
"639305"	1872.85646	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+2Na-H"	44.97116
"1139530"	654.26626	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2Na-H"	44.97116
"181728"	632.284318	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+2Na"	45.978436
"615820"	936.931868	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+2Na"	45.978436
"1122607"	327.636768	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2Na"	45.978436
"1400784"	218.760270666667	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H+2Na"	46.985712
"1432778"	656.307846	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H+HCOOH"	47.012746
"227941"	637.31734	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+3H2O+2H"	56.04448
"1517100"	670.35989	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+IsoProp+H"	61.06479
"420070"	640.271288	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+Na+K"	61.952376
"778879"	944.918838	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+Na+K"	61.952376
"1679221"	335.623738	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Na+K"	61.952376
"266105"	1282.605968	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+ACN+Na"	64.015768
"1235532"	673.310868	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+ACN+Na"	64.015768
"1724419"	673.334393	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+NH4+HCOOH"	64.039293
"1190866"	226.087584666667	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+3Na"	68.967654
"1658573"	678.289788	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Na+HCOOH"	68.994688
"168714"	1295.50924	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+2K-H"	76.91904
"611556"	1904.80434	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+2K-H"	76.91904
"1099434"	686.21414	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2K-H"	76.91904
"155072"	648.258258	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"2M+2K"	77.926316
"594632"	952.905808	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"3M+2K"	77.926316
"1081328"	343.610708	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2K"	77.926316
"1113444"	688.228692	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2K+H"	78.933592
"1345455"	688.316307	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+DMSO+H"	79.021207
"1013986"	692.355476	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2ACN+H"	83.060376
"1536485"	693.349108	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+IsoProp+Na+H"	84.054008
"993457"	346.681376	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+2ACN+2H"	84.067652
"1590877"	694.263728	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+K+HCOOH"	84.968628
"1416171"	724.295238	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+H+CF3COOH"	115.000138
"1147918"	367.194651	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+3ACN+2H"	125.094202
"1697591"	741.321785	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+NH4+CF3COOH"	132.026685
"1634581"	746.27718	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+Na+CF3COOH"	136.98208
"1582995"	762.25112	"C09164"	"Ergocristine"	"C35H39N5O5"	"609.2951"	"M+K+CF3COOH"	152.95602
"813359"	254.0943	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M"	0
"987626"	235.07591	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-H2O-H"	-19.01839
"75505"	168.388924	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M-3H"	-3.021828
"510327"	253.087024	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M-3H"	-3.021828
"888128"	83.690824	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-3H"	-3.021828
"9983"	253.087024	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M-2H"	-2.014552
"452824"	380.134174	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M-2H"	-2.014552
"831354"	126.039874	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-2H"	-2.014552
"91711"	507.181324	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M-H"	-1.007276
"530176"	761.275624	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M-H"	-1.007276
"904697"	253.087024	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-H"	-1.007276
"59073"	524.207871	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M-2H+NH4"	16.019271
"500698"	778.302171	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M-2H+NH4"	16.019271
"875340"	270.113571	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-2H+NH4"	16.019271
"46161"	529.163266	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M-2H+Na"	20.974666
"482804"	783.257566	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M-2H+Na"	20.974666
"858419"	275.068966	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-2H+Na"	20.974666
"1625764"	275.068966	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Na-2H"	20.974666
"99015"	271.075363	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M-H+Cl"	33.962126
"537481"	398.122513	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M-H+Cl"	33.962126
"932090"	144.028213	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-H+Cl"	33.962126
"279395"	543.158002	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+Cl"	34.969402
"667444"	797.252302	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+Cl"	34.969402
"1284222"	289.063702	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Cl"	34.969402
"17422"	545.137206	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M-2H+K"	36.948606
"458683"	799.231506	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M-2H+K"	36.948606
"836490"	291.042906	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-2H+K"	36.948606
"1563261"	291.042906	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+K-2H"	36.948606
"953332"	299.092494	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-H+HCOOH"	44.998194
"371547"	553.186801	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+HCOOH-H"	44.998201
"347774"	567.202451	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+Hac-H"	59.013851
"1495516"	313.108151	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Hac-H"	59.013851
"963058"	321.074451	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-H+NaCOOH"	66.980151
"117432"	289.063702	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+2Cl"	69.938804
"558087"	416.110852	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+2Cl"	69.938804
"1030169"	162.016552	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2Cl"	69.938804
"1254123"	333.013185	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Br"	78.918885
"1312195"	335.069172	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Cl+HCOOH"	80.974872
"1329693"	357.051129	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Cl+NaCOOH"	102.956829
"917835"	367.079886	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M-H+CF3COOH"	112.985586
"1293452"	403.056564	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Cl+CF3COOH"	148.962264
"1376355"	219.081624	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H-2H2O"	-35.012676
"1390935"	237.0916	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H-H2O"	-17.0027
"295728"	509.195876	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+H"	1.007276
"688150"	763.290176	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+H"	1.007276
"1366812"	255.101576	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H"	1.007276
"140918"	255.101576	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+2H"	2.014552
"577681"	382.148726	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+2H"	2.014552
"1049762"	128.054426	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2H"	2.014552
"219120"	170.403476	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+3H"	3.021828
"656130"	255.101576	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+3H"	3.021828
"1170609"	85.705376	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+3H"	3.021828
"430600"	526.222423	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+NH4"	18.033823
"793783"	780.316723	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+NH4"	18.033823
"1689749"	272.128123	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+NH4"	18.033823
"338391"	263.6148495	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+H+NH4"	19.041099
"728625"	390.6619995	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+H+NH4"	19.041099
"1487912"	136.5676995	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H+NH4"	19.041099
"400032"	531.177818	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+Na"	22.989218
"764308"	785.272118	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+Na"	22.989218
"1612407"	277.083518	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Na"	22.989218
"323535"	266.092547	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+H+Na"	23.996494
"715957"	393.139697	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+H+Na"	23.996494
"1470869"	139.045397	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H+Na"	23.996494
"1064119"	93.03269	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2H+Na"	25.00377
"1271878"	287.127786	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+CH3OH+H"	33.033486
"389476"	547.151758	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+K"	38.963158
"752538"	801.246058	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+K"	38.963158
"1553861"	293.057458	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+K"	38.963158
"312990"	274.079517	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+H+K"	39.970434
"705046"	401.126667	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+H+K"	39.970434
"1459233"	147.032367	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H+K"	39.970434
"247102"	550.222426	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+ACN+H"	42.033826
"1219813"	296.128126	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+ACN+H"	42.033826
"1206980"	148.567701	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+ACN+2H"	43.041102
"202288"	553.15976	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+2Na-H"	44.97116
"640509"	807.25406	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+2Na-H"	44.97116
"1137454"	299.06546	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2Na-H"	44.97116
"178558"	277.083518	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+2Na"	45.978436
"614837"	404.130668	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+2Na"	45.978436
"1121624"	150.036368	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2Na"	45.978436
"1399922"	100.360004	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H+2Na"	46.985712
"1432888"	301.107046	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H+HCOOH"	47.012746
"228051"	282.11654	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+3H2O+2H"	56.04448
"1511741"	315.15909	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+IsoProp+H"	61.06479
"415806"	285.070488	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+Na+K"	61.952376
"778989"	412.117638	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+Na+K"	61.952376
"1676414"	158.023338	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Na+K"	61.952376
"261838"	572.204368	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+ACN+Na"	64.015768
"1236735"	318.110068	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+ACN+Na"	64.015768
"1724528"	318.133593	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+NH4+HCOOH"	64.039293
"1187695"	107.687318	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+3Na"	68.967654
"1659774"	323.088988	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Na+HCOOH"	68.994688
"169917"	585.10764	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+2K-H"	76.91904
"611543"	839.20194	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+2K-H"	76.91904
"1098363"	331.01334	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2K-H"	76.91904
"156881"	293.057458	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"2M+2K"	77.926316
"594618"	420.104608	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"3M+2K"	77.926316
"1074877"	166.010308	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2K"	77.926316
"1110274"	333.027892	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2K+H"	78.933592
"1345564"	333.115507	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+DMSO+H"	79.021207
"1011179"	337.154676	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2ACN+H"	83.060376
"1530034"	338.148308	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+IsoProp+Na+H"	84.054008
"992838"	169.080976	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+2ACN+2H"	84.067652
"1592081"	339.062928	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+K+HCOOH"	84.968628
"1415553"	369.094438	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+H+CF3COOH"	115.000138
"1149121"	189.594251	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+3ACN+2H"	125.094202
"1697945"	386.120985	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+NH4+CF3COOH"	132.026685
"1634691"	391.07638	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+Na+CF3COOH"	136.98208
"1583105"	407.05032	"C09165"	"Chalepensin;3-(alphaalpha-Dimethylallyl)psoralen"	"C16H14O3"	"254.0943"	"M+K+CF3COOH"	152.95602
"813469"	356.126	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M"	0
"987736"	337.10761	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-H2O-H"	-19.01839
"75980"	236.410057333333	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M-3H"	-3.021828
"511531"	355.118724	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M-3H"	-3.021828
"890425"	117.701390666667	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-3H"	-3.021828
"10094"	355.118724	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M-2H"	-2.014552
"454031"	533.181724	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M-2H"	-2.014552
"831348"	177.055724	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-2H"	-2.014552
"92309"	711.244724	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M-H"	-1.007276
"531745"	1067.370724	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M-H"	-1.007276
"907723"	355.118724	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-H"	-1.007276
"58818"	728.271271	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M-2H+NH4"	16.019271
"500565"	1084.397271	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M-2H+NH4"	16.019271
"877273"	372.145271	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-2H+NH4"	16.019271
"43351"	733.226666	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M-2H+Na"	20.974666
"485224"	1089.352666	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M-2H+Na"	20.974666
"856342"	377.100666	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-2H+Na"	20.974666
"1626968"	377.100666	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Na-2H"	20.974666
"99124"	373.107063	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M-H+Cl"	33.962126
"537592"	551.170063	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M-H+Cl"	33.962126
"930016"	195.044063	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-H+Cl"	33.962126
"277320"	747.221402	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+Cl"	34.969402
"673021"	1103.347402	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+Cl"	34.969402
"1286277"	391.095402	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Cl"	34.969402
"18262"	749.200606	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M-2H+K"	36.948606
"457820"	1105.326606	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M-2H+K"	36.948606
"836600"	393.074606	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-2H+K"	36.948606
"1563371"	393.074606	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+K-2H"	36.948606
"951254"	401.124194	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-H+HCOOH"	44.998194
"370563"	757.250201	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+HCOOH-H"	44.998201
"352259"	771.265851	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+Hac-H"	59.013851
"1495626"	415.139851	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Hac-H"	59.013851
"961345"	423.106151	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-H+NaCOOH"	66.980151
"116449"	391.095402	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+2Cl"	69.938804
"558197"	569.158402	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+2Cl"	69.938804
"1028092"	213.032402	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2Cl"	69.938804
"1250952"	435.044885	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Br"	78.918885
"1312305"	437.100872	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Cl+HCOOH"	80.974872
"1328710"	459.082829	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Cl+NaCOOH"	102.956829
"920861"	469.111586	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M-H+CF3COOH"	112.985586
"1295384"	505.088264	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Cl+CF3COOH"	148.962264
"1376829"	321.113324	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H-2H2O"	-35.012676
"1389952"	339.1233	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H-H2O"	-17.0027
"295838"	713.259276	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+H"	1.007276
"688259"	1069.385276	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+H"	1.007276
"1366888"	357.133276	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H"	1.007276
"141147"	357.133276	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+2H"	2.014552
"580710"	535.196276	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+2H"	2.014552
"1052183"	179.070276	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2H"	2.014552
"219595"	238.424609333333	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+3H"	3.021828
"656969"	357.133276	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+3H"	3.021828
"1175824"	119.715942666667	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+3H"	3.021828
"432898"	730.285823	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+NH4"	18.033823
"791707"	1086.411823	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+NH4"	18.033823
"1690223"	374.159823	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+NH4"	18.033823
"338502"	365.6465495	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+H+NH4"	19.041099
"728735"	543.7095495	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+H+NH4"	19.041099
"1486929"	187.5835495	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H+NH4"	19.041099
"403422"	735.241218	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+Na"	22.989218
"763325"	1091.367218	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+Na"	22.989218
"1613976"	379.115218	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Na"	22.989218
"323645"	368.124247	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+H+Na"	23.996494
"717161"	546.187247	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+H+Na"	23.996494
"1470979"	190.061247	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H+Na"	23.996494
"1067145"	127.043256666667	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2H+Na"	25.00377
"1272110"	389.159486	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+CH3OH+H"	33.033486
"392138"	751.215158	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+K"	38.963158
"752040"	1107.341158	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+K"	38.963158
"1551905"	395.089158	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+K"	38.963158
"313222"	376.111217	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+H+K"	39.970434
"705887"	554.174217	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+H+K"	39.970434
"1460437"	198.048217	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H+K"	39.970434
"249764"	754.285826	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+ACN+H"	42.033826
"1219923"	398.159826	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+ACN+H"	42.033826
"1202713"	199.583551	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+ACN+2H"	43.041102
"201062"	757.22316	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+2Na-H"	44.97116
"640256"	1113.34916	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+2Na-H"	44.97116
"1137564"	401.09716	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2Na-H"	44.97116
"177574"	379.115218	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+2Na"	45.978436
"614947"	557.178218	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+2Na"	45.978436
"1121734"	201.052218	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2Na"	45.978436
"1399790"	134.370570666667	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H+2Na"	46.985712
"1431905"	403.138746	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H+HCOOH"	47.012746
"228161"	384.14824	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+3H2O+2H"	56.04448
"1511851"	417.19079	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+IsoProp+H"	61.06479
"420288"	387.102188	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+Na+K"	61.952376
"779099"	565.165188	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+Na+K"	61.952376
"1674337"	209.039188	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Na+K"	61.952376
"260855"	776.267768	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+ACN+Na"	64.015768
"1237938"	420.141768	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+ACN+Na"	64.015768
"1724638"	420.165293	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+NH4+HCOOH"	64.039293
"1191084"	141.697884666667	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+3Na"	68.967654
"1665235"	425.120688	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Na+HCOOH"	68.994688
"172214"	789.17104	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+2K-H"	76.91904
"612262"	1145.29704	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+2K-H"	76.91904
"1096286"	433.04504	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2K-H"	76.91904
"156140"	395.089158	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"2M+2K"	77.926316
"593634"	573.152158	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"3M+2K"	77.926316
"1074987"	217.026158	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2K"	77.926316
"1107103"	435.059592	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2K+H"	78.933592
"1343487"	435.147207	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+DMSO+H"	79.021207
"1010924"	439.186376	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2ACN+H"	83.060376
"1528321"	440.180008	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+IsoProp+Na+H"	84.054008
"997687"	220.096826	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+2ACN+2H"	84.067652
"1598751"	441.094628	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+K+HCOOH"	84.968628
"1417852"	471.126138	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+H+CF3COOH"	115.000138
"1152512"	240.610101	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+3ACN+2H"	125.094202
"1698787"	488.152685	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+NH4+CF3COOH"	132.026685
"1635894"	493.10808	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+Na+CF3COOH"	136.98208
"1583215"	509.08202	"C09166"	"Plaunol B"	"C20H20O6"	"356.126"	"M+K+CF3COOH"	152.95602
"813579"	547.2795	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M"	0
"986026"	528.26111	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-H2O-H"	-19.01839
"74269"	363.845724	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M-3H"	-3.021828
"514922"	546.272224	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M-3H"	-3.021828
"888350"	181.419224	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-3H"	-3.021828
"13851"	546.272224	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M-2H"	-2.014552
"453900"	819.911974	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M-2H"	-2.014552
"831338"	272.632474	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-2H"	-2.014552
"93032"	1093.551724	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M-H"	-1.007276
"533081"	1640.831224	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M-H"	-1.007276
"910518"	546.272224	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-H"	-1.007276
"61359"	1110.578271	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M-2H+NH4"	16.019271
"501039"	1657.857771	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M-2H+NH4"	16.019271
"878116"	563.298771	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-2H+NH4"	16.019271
"46267"	1115.533666	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M-2H+Na"	20.974666
"486754"	1662.813166	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M-2H+Na"	20.974666
"859733"	568.254166	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-2H+Na"	20.974666
"1632911"	568.254166	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Na-2H"	20.974666
"102515"	564.260563	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M-H+Cl"	33.962126
"539891"	837.900313	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M-H+Cl"	33.962126
"936687"	290.620813	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-H+Cl"	33.962126
"281321"	1129.528402	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+Cl"	34.969402
"674105"	1676.807902	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+Cl"	34.969402
"1287241"	582.248902	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Cl"	34.969402
"17521"	1131.507606	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M-2H+K"	36.948606
"462187"	1678.787106	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M-2H+K"	36.948606
"843272"	584.228106	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-2H+K"	36.948606
"1566762"	584.228106	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+K-2H"	36.948606
"954645"	592.277694	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-H+HCOOH"	44.998194
"370673"	1139.557201	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+HCOOH-H"	44.998201
"353463"	1153.572851	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+Hac-H"	59.013851
"1494643"	606.293351	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Hac-H"	59.013851
"967652"	614.259651	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-H+NaCOOH"	66.980151
"116559"	582.248902	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+2Cl"	69.938804
"557217"	855.888652	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+2Cl"	69.938804
"1029297"	308.609152	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2Cl"	69.938804
"1252156"	626.198385	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Br"	78.918885
"1314604"	628.254372	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Cl+HCOOH"	80.974872
"1328820"	650.236329	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Cl+NaCOOH"	102.956829
"919879"	660.265086	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M-H+CF3COOH"	112.985586
"1296587"	696.241764	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Cl+CF3COOH"	148.962264
"1370378"	512.266824	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H-2H2O"	-35.012676
"1391155"	530.2768	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H-H2O"	-17.0027
"294126"	1095.566276	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+H"	1.007276
"685452"	1642.845776	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+H"	1.007276
"1365815"	548.286776	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H"	1.007276
"140890"	548.286776	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+2H"	2.014552
"581064"	821.926526	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+2H"	2.014552
"1051441"	274.647026	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2H"	2.014552
"219262"	365.860276	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+3H"	3.021828
"657080"	548.286776	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+3H"	3.021828
"1176298"	183.433776	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+3H"	3.021828
"435195"	1112.592823	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+NH4"	18.033823
"791817"	1659.872323	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+NH4"	18.033823
"1688146"	565.313323	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+NH4"	18.033823
"339706"	556.8000495	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+H+NH4"	19.041099
"732125"	830.4397995	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+H+NH4"	19.041099
"1488130"	283.1602995	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H+NH4"	19.041099
"405357"	1117.548218	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+Na"	22.989218
"767080"	1664.827718	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+Na"	22.989218
"1614816"	570.268718	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Na"	22.989218
"325941"	559.277747	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+H+Na"	23.996494
"715081"	832.917497	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+H+Na"	23.996494
"1473641"	285.637997	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H+Na"	23.996494
"1066159"	190.76109	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2H+Na"	25.00377
"1267837"	580.312986	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+CH3OH+H"	33.033486
"392375"	1133.522158	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+K"	38.963158
"751057"	1680.801658	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+K"	38.963158
"1552747"	586.242658	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+K"	38.963158
"308101"	567.264717	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+H+K"	39.970434
"706729"	840.904467	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+H+K"	39.970434
"1460912"	293.624967	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H+K"	39.970434
"250729"	1136.592826	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+ACN+H"	42.033826
"1222951"	589.313326	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+ACN+H"	42.033826
"1207928"	295.160301	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+ACN+2H"	43.041102
"200806"	1139.53016	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+2Na-H"	44.97116
"636355"	1686.80966	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+2Na-H"	44.97116
"1137674"	592.25066	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2Na-H"	44.97116
"176588"	570.268718	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+2Na"	45.978436
"618335"	843.908468	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+2Na"	45.978436
"1119653"	296.628968	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2Na"	45.978436
"1405363"	198.088404	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H+2Na"	46.985712
"1433105"	594.292246	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H+HCOOH"	47.012746
"223897"	575.30174	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+3H2O+2H"	56.04448
"1514148"	608.34429	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+IsoProp+H"	61.06479
"413836"	578.255688	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+Na+K"	61.952376
"779935"	851.895438	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+Na+K"	61.952376
"1673351"	304.615938	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Na+K"	61.952376
"263153"	1158.574768	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+ACN+Na"	64.015768
"1241052"	611.295268	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+ACN+Na"	64.015768
"1724020"	611.318793	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+NH4+HCOOH"	64.039293
"1191195"	205.415718	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+3Na"	68.967654
"1664856"	616.274188	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Na+HCOOH"	68.994688
"170137"	1171.47804	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+2K-H"	76.91904
"610791"	1718.75754	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+2K-H"	76.91904
"1096397"	624.19854	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2K-H"	76.91904
"156129"	586.242658	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"2M+2K"	77.926316
"594838"	859.882408	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"3M+2K"	77.926316
"1075097"	312.602908	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2K"	77.926316
"1107213"	626.213092	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2K+H"	78.933592
"1341411"	626.300707	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+DMSO+H"	79.021207
"1013222"	630.339876	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2ACN+H"	83.060376
"1529160"	631.333508	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+IsoProp+Na+H"	84.054008
"997797"	315.673576	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+2ACN+2H"	84.067652
"1598862"	632.248128	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+K+HCOOH"	84.968628
"1419055"	662.279638	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+H+CF3COOH"	115.000138
"1153716"	336.186851	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+3ACN+2H"	125.094202
"1698530"	679.306185	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+NH4+CF3COOH"	132.026685
"1636733"	684.26158	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+Na+CF3COOH"	136.98208
"1583325"	700.23552	"C09167"	"Ergosine"	"C30H37N5O5"	"547.2795"	"M+K+CF3COOH"	152.95602
"813689"	374.1366	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M"	0
"987593"	355.11821	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-H2O-H"	-19.01839
"72192"	248.417124	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M-3H"	-3.021828
"515033"	373.129324	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M-3H"	-3.021828
"891740"	123.704924	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-3H"	-3.021828
"15568"	373.129324	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M-2H"	-2.014552
"454250"	560.197624	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M-2H"	-2.014552
"831929"	186.061024	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-2H"	-2.014552
"94235"	747.265924	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M-H"	-1.007276
"533426"	1121.402524	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M-H"	-1.007276
"909888"	373.129324	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-H"	-1.007276
"58309"	764.292471	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M-2H+NH4"	16.019271
"500056"	1138.429071	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M-2H+NH4"	16.019271
"877859"	390.155871	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-2H+NH4"	16.019271
"47127"	769.247866	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M-2H+Na"	20.974666
"486985"	1143.384466	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M-2H+Na"	20.974666
"859843"	395.111266	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-2H+Na"	20.974666
"1631562"	395.111266	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Na-2H"	20.974666
"100439"	391.117663	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M-H+Cl"	33.962126
"541094"	578.185963	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M-H+Cl"	33.962126
"940078"	204.049363	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-H+Cl"	33.962126
"282040"	783.242602	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+Cl"	34.969402
"674336"	1157.379202	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+Cl"	34.969402
"1287469"	409.106002	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Cl"	34.969402
"18361"	785.221806	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M-2H+K"	36.948606
"462297"	1159.358406	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M-2H+K"	36.948606
"842288"	411.085206	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-2H+K"	36.948606
"1566872"	411.085206	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+K-2H"	36.948606
"954755"	419.134794	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-H+HCOOH"	44.998194
"370782"	793.271401	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+HCOOH-H"	44.998201
"351386"	807.287051	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+Hac-H"	59.013851
"1495114"	433.150451	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Hac-H"	59.013851
"966669"	441.116751	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-H+NaCOOH"	66.980151
"113388"	409.106002	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+2Cl"	69.938804
"559513"	596.174302	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+2Cl"	69.938804
"1028312"	222.037702	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2Cl"	69.938804
"1247892"	453.055485	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Br"	78.918885
"1313620"	455.111472	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Cl+HCOOH"	80.974872
"1327837"	477.093429	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Cl+NaCOOH"	102.956829
"919986"	487.122186	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M-H+CF3COOH"	112.985586
"1295604"	523.098864	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Cl+CF3COOH"	148.962264
"1369754"	339.123924	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H-2H2O"	-35.012676
"1386890"	357.1339	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H-H2O"	-17.0027
"295330"	749.280476	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+H"	1.007276
"687751"	1123.417076	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+H"	1.007276
"1359726"	375.143876	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H"	1.007276
"137354"	375.143876	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+2H"	2.014552
"579104"	562.212176	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+2H"	2.014552
"1050456"	188.075576	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2H"	2.014552
"218358"	250.431676	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+3H"	3.021828
"655731"	375.143876	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+3H"	3.021828
"1174584"	125.719476	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+3H"	3.021828
"435668"	766.307023	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+NH4"	18.033823
"795205"	1140.443623	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+NH4"	18.033823
"1688256"	392.170423	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+NH4"	18.033823
"341639"	383.6571495	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+H+NH4"	19.041099
"735880"	570.7254495	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+H+NH4"	19.041099
"1487147"	196.5888495	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H+NH4"	19.041099
"408019"	771.262418	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+Na"	22.989218
"767191"	1145.399018	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+Na"	22.989218
"1616383"	397.125818	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Na"	22.989218
"328968"	386.134847	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+H+Na"	23.996494
"714098"	573.203147	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+H+Na"	23.996494
"1471199"	199.066547	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H+Na"	23.996494
"1066633"	133.04679	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2H+Na"	25.00377
"1268311"	407.170086	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+CH3OH+H"	33.033486
"391268"	787.236358	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+K"	38.963158
"753355"	1161.372958	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+K"	38.963158
"1552493"	413.099758	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+K"	38.963158
"306025"	394.121817	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+H+K"	39.970434
"702821"	581.190117	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+H+K"	39.970434
"1456277"	207.053517	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H+K"	39.970434
"251081"	790.307026	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+ACN+H"	42.033826
"1224519"	416.170426	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+ACN+H"	42.033826
"1205120"	208.588851	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+ACN+2H"	43.041102
"203586"	793.24436	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+2Na-H"	44.97116
"636465"	1167.38096	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+2Na-H"	44.97116
"1136690"	419.10776	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2Na-H"	44.97116
"175606"	397.125818	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+2Na"	45.978436
"614193"	584.194118	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+2Na"	45.978436
"1117699"	210.057518	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2Na"	45.978436
"1401100"	140.374104	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H+2Na"	46.985712
"1432122"	421.149346	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H+HCOOH"	47.012746
"225100"	402.15884	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+3H2O+2H"	56.04448
"1509883"	435.20139	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+IsoProp+H"	61.06479
"416134"	405.112788	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+Na+K"	61.952376
"779318"	592.181088	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+Na+K"	61.952376
"1676743"	218.044488	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Na+K"	61.952376
"266872"	812.288968	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+ACN+Na"	64.015768
"1239253"	438.152368	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+ACN+Na"	64.015768
"1724130"	438.175893	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+NH4+HCOOH"	64.039293
"1190942"	147.701418	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+3Na"	68.967654
"1664725"	443.131288	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Na+HCOOH"	68.994688
"172316"	825.19224	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+2K-H"	76.91904
"610901"	1199.32884	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+2K-H"	76.91904
"1096507"	451.05564	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2K-H"	76.91904
"156481"	413.099758	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"2M+2K"	77.926316
"593976"	600.168058	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"3M+2K"	77.926316
"1075207"	226.031458	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2K"	77.926316
"1107323"	453.070192	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2K+H"	78.933592
"1340428"	453.157807	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+DMSO+H"	79.021207
"1013332"	457.196976	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2ACN+H"	83.060376
"1529270"	458.190608	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+IsoProp+Na+H"	84.054008
"997907"	229.102126	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+2ACN+2H"	84.067652
"1597879"	459.105228	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+K+HCOOH"	84.968628
"1418073"	489.136738	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+H+CF3COOH"	115.000138
"1154919"	249.615401	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+3ACN+2H"	125.094202
"1699005"	506.163285	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+NH4+CF3COOH"	132.026685
"1636114"	511.11868	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+Na+CF3COOH"	136.98208
"1583435"	527.09262	"C09168"	"Plaunol D"	"C20H22O7"	"374.1366"	"M+K+CF3COOH"	152.95602
"813801"	378.2406	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M"	0
"985154"	359.22221	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-H2O-H"	-19.01839
"76310"	251.153124	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M-3H"	-3.021828
"515143"	377.233324	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M-3H"	-3.021828
"891851"	125.072924	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-3H"	-3.021828
"14073"	377.233324	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M-2H"	-2.014552
"451811"	566.353624	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M-2H"	-2.014552
"831435"	188.113024	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-2H"	-2.014552
"94139"	755.473924	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M-H"	-1.007276
"533778"	1133.714524	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M-H"	-1.007276
"908419"	377.233324	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-H"	-1.007276
"60608"	772.500471	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M-2H+NH4"	16.019271
"501626"	1150.741071	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M-2H+NH4"	16.019271
"875784"	394.259871	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-2H+NH4"	16.019271
"47120"	777.455866	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M-2H+Na"	20.974666
"484946"	1155.696466	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M-2H+Na"	20.974666
"859954"	399.215266	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-2H+Na"	20.974666
"1631308"	399.215266	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Na-2H"	20.974666
"102736"	395.221663	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M-H+Cl"	33.962126
"543390"	584.341963	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M-H+Cl"	33.962126
"933627"	206.101363	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-H+Cl"	33.962126
"280815"	791.450602	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+Cl"	34.969402
"674571"	1169.691202	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+Cl"	34.969402
"1286851"	413.210002	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Cl"	34.969402
"29046"	793.429806	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M-2H+K"	36.948606
"465688"	1171.670406	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M-2H+K"	36.948606
"843491"	415.189206	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-2H+K"	36.948606
"1564796"	415.189206	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+K-2H"	36.948606
"951584"	423.238794	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-H+HCOOH"	44.998194
"370892"	801.479401	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+HCOOH-H"	44.998201
"350402"	815.495051	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+Hac-H"	59.013851
"1505429"	437.254451	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Hac-H"	59.013851
"970054"	445.220751	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-H+NaCOOH"	66.980151
"110581"	413.210002	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+2Cl"	69.938804
"560719"	602.330302	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+2Cl"	69.938804
"1030610"	224.089702	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2Cl"	69.938804
"1248002"	457.159485	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Br"	78.918885
"1312640"	459.215472	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Cl+HCOOH"	80.974872
"1326853"	481.197429	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Cl+NaCOOH"	102.956829
"921192"	491.226186	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M-H+CF3COOH"	112.985586
"1295714"	527.202864	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Cl+CF3COOH"	148.962264
"1373878"	343.227924	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H-2H2O"	-35.012676
"1392471"	361.2379	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H-H2O"	-17.0027
"294347"	757.488476	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+H"	1.007276
"686768"	1135.729076	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+H"	1.007276
"1364211"	379.247876	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H"	1.007276
"138195"	379.247876	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+2H"	2.014552
"578120"	568.368176	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+2H"	2.014552
"1048377"	190.127576	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2H"	2.014552
"216281"	253.167676	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+3H"	3.021828
"656935"	379.247876	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+3H"	3.021828
"1175787"	127.087476	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+3H"	3.021828
"436142"	774.515023	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+NH4"	18.033823
"794222"	1152.755623	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+NH4"	18.033823
"1690554"	396.274423	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+NH4"	18.033823
"341019"	387.7611495	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+H+NH4"	19.041099
"735261"	576.8814495	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+H+NH4"	19.041099
"1487257"	198.6408495	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H+NH4"	19.041099
"405578"	779.470418	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+Na"	22.989218
"764750"	1157.711018	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+Na"	22.989218
"1613941"	401.229818	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Na"	22.989218
"326163"	390.238847	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+H+Na"	23.996494
"715301"	579.359147	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+H+Na"	23.996494
"1468029"	201.118547	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H+Na"	23.996494
"1063098"	134.41479	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2H+Na"	25.00377
"1268421"	411.274086	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+CH3OH+H"	33.033486
"391742"	795.444358	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+K"	38.963158
"750914"	1173.684958	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+K"	38.963158
"1551510"	417.203758	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+K"	38.963158
"306135"	398.225817	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+H+K"	39.970434
"702567"	587.346117	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+H+K"	39.970434
"1459667"	209.105517	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H+K"	39.970434
"250702"	798.515026	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+ACN+H"	42.033826
"1220256"	420.274426	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+ACN+H"	42.033826
"1204137"	210.640851	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+ACN+2H"	43.041102
"201755"	801.45236	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+2Na-H"	44.97116
"639856"	1179.69296	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+2Na-H"	44.97116
"1136800"	423.21176	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2Na-H"	44.97116
"176809"	401.229818	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+2Na"	45.978436
"615397"	590.350118	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+2Na"	45.978436
"1117809"	212.109518	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2Na"	45.978436
"1402303"	141.742104	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H+2Na"	46.985712
"1433326"	425.253346	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H+HCOOH"	47.012746
"224113"	406.26284	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+3H2O+2H"	56.04448
"1509262"	439.30539	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+IsoProp+H"	61.06479
"421348"	409.216788	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+Na+K"	61.952376
"783074"	598.337088	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+Na+K"	61.952376
"1680133"	220.096488	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Na+K"	61.952376
"262644"	820.496968	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+ACN+Na"	64.015768
"1240215"	442.256368	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+ACN+Na"	64.015768
"1725334"	442.279893	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+NH4+HCOOH"	64.039293
"1191417"	149.069418	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+3Na"	68.967654
"1665157"	447.235288	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Na+HCOOH"	68.994688
"171088"	833.40024	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+2K-H"	76.91904
"606639"	1211.64084	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+2K-H"	76.91904
"1097715"	455.15964	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2K-H"	76.91904
"156471"	417.203758	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"2M+2K"	77.926316
"596682"	606.324058	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"3M+2K"	77.926316
"1080785"	228.083458	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2K"	77.926316
"1110714"	457.174192	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2K+H"	78.933592
"1341631"	457.261807	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+DMSO+H"	79.021207
"1016722"	461.300976	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2ACN+H"	83.060376
"1531567"	462.294608	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+IsoProp+Na+H"	84.054008
"998017"	231.154126	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+2ACN+2H"	84.067652
"1599083"	463.209228	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+K+HCOOH"	84.968628
"1423648"	493.240738	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+H+CF3COOH"	115.000138
"1157217"	251.667401	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+3ACN+2H"	125.094202
"1702394"	510.267285	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+NH4+CF3COOH"	132.026685
"1636953"	515.22268	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+Na+CF3COOH"	136.98208
"1583545"	531.19662	"C09169"	"Pleuromutilin;Pleuromulin"	"C22H34O5"	"378.2406"	"M+K+CF3COOH"	152.95602
"813909"	318.1692	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M"	0
"988907"	299.15081	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-H2O-H"	-19.01839
"76423"	211.105524	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M-3H"	-3.021828
"515253"	317.161924	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M-3H"	-3.021828
"893786"	105.049124	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-3H"	-3.021828
"14548"	317.161924	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M-2H"	-2.014552
"454838"	476.246524	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M-2H"	-2.014552
"831790"	158.077324	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-2H"	-2.014552
"93640"	635.331124	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M-H"	-1.007276
"531830"	953.500324	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M-H"	-1.007276
"911045"	317.161924	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-H"	-1.007276
"58529"	652.357671	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M-2H+NH4"	16.019271
"500520"	970.526871	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M-2H+NH4"	16.019271
"875892"	334.188471	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-2H+NH4"	16.019271
"45739"	657.313066	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M-2H+Na"	20.974666
"484935"	975.482266	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M-2H+Na"	20.974666
"860791"	339.143866	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-2H+Na"	20.974666
"1628502"	339.143866	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Na-2H"	20.974666
"98473"	335.150263	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M-H+Cl"	33.962126
"542407"	494.234863	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M-H+Cl"	33.962126
"939205"	176.065663	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-H+Cl"	33.962126
"280314"	671.307802	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+Cl"	34.969402
"671276"	989.477002	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+Cl"	34.969402
"1286960"	353.138602	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Cl"	34.969402
"27329"	673.287006	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M-2H+K"	36.948606
"463610"	991.456206	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M-2H+K"	36.948606
"838132"	355.117806	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-2H+K"	36.948606
"1567092"	355.117806	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+K-2H"	36.948606
"954610"	363.167394	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-H+HCOOH"	44.998194
"374282"	681.336601	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+HCOOH-H"	44.998201
"350512"	695.352251	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+Hac-H"	59.013851
"1502623"	377.183051	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Hac-H"	59.013851
"970164"	385.149351	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-H+NaCOOH"	66.980151
"112514"	353.138602	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+2Cl"	69.938804
"562654"	512.223202	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+2Cl"	69.938804
"1034733"	194.054002	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2Cl"	69.938804
"1249206"	397.088085	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Br"	78.918885
"1316031"	399.144072	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Cl+HCOOH"	80.974872
"1330246"	421.126029	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Cl+NaCOOH"	102.956829
"923128"	431.154786	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M-H+CF3COOH"	112.985586
"1302388"	467.131464	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Cl+CF3COOH"	148.962264
"1373988"	283.156524	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H-2H2O"	-35.012676
"1394040"	301.1665	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H-H2O"	-17.0027
"296280"	637.345676	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+H"	1.007276
"686514"	955.514876	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+H"	1.007276
"1365779"	319.176476	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H"	1.007276
"140493"	319.176476	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+2H"	2.014552
"579690"	478.261076	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+2H"	2.014552
"1049947"	160.091876	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2H"	2.014552
"216391"	213.120076	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+3H"	3.021828
"654858"	319.176476	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+3H"	3.021828
"1174075"	107.063676	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+3H"	3.021828
"435890"	654.372223	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+NH4"	18.033823
"794333"	972.541423	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+NH4"	18.033823
"1692122"	336.203023	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+NH4"	18.033823
"340037"	327.6897495	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+H+NH4"	19.041099
"736829"	486.7743495	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+H+NH4"	19.041099
"1487003"	168.6051495	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H+NH4"	19.041099
"406053"	659.327618	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+Na"	22.989218
"766682"	977.496818	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+Na"	22.989218
"1614051"	341.158418	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Na"	22.989218
"325545"	330.167447	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+H+Na"	23.996494
"715411"	489.252047	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+H+Na"	23.996494
"1469232"	171.082847	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H+Na"	23.996494
"1061385"	114.39099	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2H+Na"	25.00377
"1268167"	351.202686	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+CH3OH+H"	33.033486
"388936"	675.301558	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+K"	38.963158
"751026"	993.470758	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+K"	38.963158
"1550163"	357.132358	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+K"	38.963158
"305881"	338.154417	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+H+K"	39.970434
"702313"	497.239017	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+H+K"	39.970434
"1461077"	179.069817	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H+K"	39.970434
"251056"	678.372226	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+ACN+H"	42.033826
"1222554"	360.203026	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+ACN+H"	42.033826
"1206072"	180.605151	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+ACN+2H"	43.041102
"201130"	681.30956	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+2Na-H"	44.97116
"639238"	999.47876	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+2Na-H"	44.97116
"1139098"	363.14036	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2Na-H"	44.97116
"173882"	341.158418	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+2Na"	45.978436
"616481"	500.243018	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+2Na"	45.978436
"1119986"	182.073818	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2Na"	45.978436
"1400470"	121.718304	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H+2Na"	46.985712
"1430763"	365.181946	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H+HCOOH"	47.012746
"222039"	346.19144	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+3H2O+2H"	56.04448
"1508885"	379.23399	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+IsoProp+H"	61.06479
"422188"	349.145388	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+Na+K"	61.952376
"781724"	508.229988	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+Na+K"	61.952376
"1677693"	190.060788	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Na+K"	61.952376
"263849"	700.354168	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+ACN+Na"	64.015768
"1239109"	382.184968	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+ACN+Na"	64.015768
"1724715"	382.208493	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+NH4+HCOOH"	64.039293
"1190434"	129.045618	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+3Na"	68.967654
"1664579"	387.163888	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Na+HCOOH"	68.994688
"171564"	713.25744	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+2K-H"	76.91904
"607842"	1031.42664	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+2K-H"	76.91904
"1099163"	395.08824	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2K-H"	76.91904
"156459"	357.132358	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"2M+2K"	77.926316
"596265"	516.216958	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"3M+2K"	77.926316
"1081625"	198.047758	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2K"	77.926316
"1113741"	397.102792	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2K+H"	78.933592
"1347208"	397.190407	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+DMSO+H"	79.021207
"1019019"	401.229576	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2ACN+H"	83.060376
"1534958"	402.223208	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+IsoProp+Na+H"	84.054008
"998128"	201.118426	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+2ACN+2H"	84.067652
"1598099"	403.137828	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+K+HCOOH"	84.968628
"1424852"	433.169338	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+H+CF3COOH"	115.000138
"1151863"	221.631701	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+3ACN+2H"	125.094202
"1699228"	450.195885	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+NH4+CF3COOH"	132.026685
"1639253"	455.15128	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+Na+CF3COOH"	136.98208
"1583655"	471.12522	"C09170"	"Eseramine;(3aS-cis)-33a88a-Tetrahydro-N3a8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo23-bindole-1(2H)-carboxamide"	"C16H22N4O3"	"318.1692"	"M+K+CF3COOH"	152.95602
"814019"	274.1569	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M"	0
"989017"	255.13851	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-H2O-H"	-19.01839
"75799"	181.763990666667	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M-3H"	-3.021828
"513178"	273.149624	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M-3H"	-3.021828
"893164"	90.3783573333333	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-3H"	-3.021828
"11377"	273.149624	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M-2H"	-2.014552
"452392"	410.228074	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M-2H"	-2.014552
"830076"	136.071174	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-2H"	-2.014552
"92005"	547.306524	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M-H"	-1.007276
"528656"	821.463424	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M-H"	-1.007276
"910097"	273.149624	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-H"	-1.007276
"57546"	564.333071	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M-2H+NH4"	16.019271
"496012"	838.489971	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M-2H+NH4"	16.019271
"873815"	290.176171	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-2H+NH4"	16.019271
"40624"	569.288466	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M-2H+Na"	20.974666
"475808"	843.445366	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M-2H+Na"	20.974666
"857984"	295.131566	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-2H+Na"	20.974666
"1626425"	295.131566	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Na-2H"	20.974666
"96395"	291.137963	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M-H+Cl"	33.962126
"534656"	428.216413	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M-H+Cl"	33.962126
"927647"	154.059513	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-H+Cl"	33.962126
"268392"	583.283202	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+Cl"	34.969402
"661906"	857.440102	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+Cl"	34.969402
"1273824"	309.126302	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Cl"	34.969402
"25253"	585.262406	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M-2H+K"	36.948606
"460438"	859.419306	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M-2H+K"	36.948606
"836055"	311.105506	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-2H+K"	36.948606
"1567202"	311.105506	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+K-2H"	36.948606
"955084"	319.155094	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-H+HCOOH"	44.998194
"374028"	593.312001	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+HCOOH-H"	44.998201
"350622"	607.327651	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+Hac-H"	59.013851
"1499453"	333.170751	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Hac-H"	59.013851
"970274"	341.137051	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-H+NaCOOH"	66.980151
"112257"	309.126302	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+2Cl"	69.938804
"556929"	446.204752	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+2Cl"	69.938804
"1031924"	172.047852	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2Cl"	69.938804
"1246400"	353.075785	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Br"	78.918885
"1313955"	355.131772	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Cl+HCOOH"	80.974872
"1331449"	377.113729	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Cl+NaCOOH"	102.956829
"923237"	387.142486	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M-H+CF3COOH"	112.985586
"1302861"	423.119164	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Cl+CF3COOH"	148.962264
"1370817"	239.144224	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H-2H2O"	-35.012676
"1395607"	257.1542	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H-H2O"	-17.0027
"294203"	549.321076	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+H"	1.007276
"686624"	823.477976	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+H"	1.007276
"1364796"	275.164176	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H"	1.007276
"140361"	275.164176	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+2H"	2.014552
"579071"	412.242626	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+2H"	2.014552
"1048964"	138.085726	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2H"	2.014552
"216866"	183.778542666667	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+3H"	3.021828
"656061"	275.164176	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+3H"	3.021828
"1174915"	92.3929093333333	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+3H"	3.021828
"436364"	566.347623	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+NH4"	18.033823
"795537"	840.504523	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+NH4"	18.033823
"1692232"	292.190723	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+NH4"	18.033823
"341240"	283.6774495	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+H+NH4"	19.041099
"736211"	420.7558995	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+H+NH4"	19.041099
"1487113"	146.5989995	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H+NH4"	19.041099
"406527"	571.303018	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+Na"	22.989218
"768493"	845.459918	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+Na"	22.989218
"1615619"	297.146118	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Na"	22.989218
"327477"	286.155147	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+H+Na"	23.996494
"715521"	423.233597	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+H+Na"	23.996494
"1469342"	149.076697	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H+Na"	23.996494
"1061495"	99.7202233333333	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2H+Na"	25.00377
"1268277"	307.190386	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+CH3OH+H"	33.033486
"389411"	587.276958	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+K"	38.963158
"751136"	861.433858	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+K"	38.963158
"1550273"	313.120058	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+K"	38.963158
"305991"	294.142117	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+H+K"	39.970434
"699870"	431.220567	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+H+K"	39.970434
"1458065"	157.063667	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H+K"	39.970434
"246668"	590.347626	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+ACN+H"	42.033826
"1219384"	316.190726	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+ACN+H"	42.033826
"1205453"	158.599001	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+ACN+2H"	43.041102
"198324"	593.28496	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+2Na-H"	44.97116
"631329"	867.44186	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+2Na-H"	44.97116
"1135928"	319.12806	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2Na-H"	44.97116
"175085"	297.146118	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+2Na"	45.978436
"615498"	434.224568	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+2Na"	45.978436
"1116124"	160.067668	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2Na"	45.978436
"1398590"	107.047537333333	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H+2Na"	46.985712
"1429917"	321.169646	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H+HCOOH"	47.012746
"220008"	302.17914	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+3H2O+2H"	56.04448
"1508496"	335.22169	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+IsoProp+H"	61.06479
"423759"	305.133088	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+Na+K"	61.952376
"781470"	442.211538	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+Na+K"	61.952376
"1678531"	168.054638	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Na+K"	61.952376
"264323"	612.329568	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+ACN+Na"	64.015768
"1239098"	338.172668	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+ACN+Na"	64.015768
"1721909"	338.196193	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+NH4+HCOOH"	64.039293
"1187264"	114.374851333333	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+3Na"	68.967654
"1662623"	343.151588	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Na+HCOOH"	68.994688
"166205"	625.23284	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+2K-H"	76.91904
"609046"	899.38974	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+2K-H"	76.91904
"1097931"	351.07594	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2K-H"	76.91904
"153652"	313.120058	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"2M+2K"	77.926316
"591025"	450.198508	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"3M+2K"	77.926316
"1078819"	176.041608	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2K"	77.926316
"1114824"	353.090492	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2K+H"	78.933592
"1347318"	353.178107	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+DMSO+H"	79.021207
"1016942"	357.217276	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2ACN+H"	83.060376
"1527414"	358.210908	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+IsoProp+Na+H"	84.054008
"994958"	179.112276	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+2ACN+2H"	84.067652
"1594929"	359.125528	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+K+HCOOH"	84.968628
"1423869"	389.157038	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+H+CF3COOH"	115.000138
"1150880"	199.625551	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+3ACN+2H"	125.094202
"1699338"	406.183585	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+NH4+CF3COOH"	132.026685
"1636083"	411.13898	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+Na+CF3COOH"	136.98208
"1583765"	427.11292	"C09171"	"Podocarpic acid"	"C17H22O3"	"274.1569"	"M+K+CF3COOH"	152.95602
"810849"	394.1264	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M"	0
"989860"	375.10801	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-H2O-H"	-19.01839
"78287"	261.743657333333	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M-3H"	-3.021828
"514380"	393.119124	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M-3H"	-3.021828
"893274"	130.368190666667	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-3H"	-3.021828
"13310"	393.119124	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M-2H"	-2.014552
"452501"	590.182324	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M-2H"	-2.014552
"831399"	196.055924	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-2H"	-2.014552
"92480"	787.245524	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M-H"	-1.007276
"530588"	1181.371924	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M-H"	-1.007276
"910814"	393.119124	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-H"	-1.007276
"57656"	804.272071	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M-2H+NH4"	16.019271
"498308"	1198.398471	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M-2H+NH4"	16.019271
"875019"	410.145671	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-2H+NH4"	16.019271
"42920"	809.227466	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M-2H+Na"	20.974666
"482479"	1203.353866	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M-2H+Na"	20.974666
"859187"	415.101066	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-2H+Na"	20.974666
"1628722"	415.101066	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Na-2H"	20.974666
"96505"	411.107463	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M-H+Cl"	33.962126
"534926"	608.170663	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M-H+Cl"	33.962126
"927994"	214.044263	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-H+Cl"	33.962126
"268014"	823.222202	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+Cl"	34.969402
"662016"	1217.348602	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+Cl"	34.969402
"1275515"	429.095802	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Cl"	34.969402
"26456"	825.201406	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M-2H+K"	36.948606
"464923"	1219.327806	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M-2H+K"	36.948606
"835072"	431.075006	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-2H+K"	36.948606
"1567312"	431.075006	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+K-2H"	36.948606
"954101"	439.124594	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-H+HCOOH"	44.998194
"374502"	833.251001	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+HCOOH-H"	44.998201
"352919"	847.266651	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+Hac-H"	59.013851
"1498104"	453.140251	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Hac-H"	59.013851
"972207"	461.106551	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-H+NaCOOH"	66.980151
"112732"	429.095802	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+2Cl"	69.938804
"554486"	626.159002	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+2Cl"	69.938804
"1028752"	232.032602	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2Cl"	69.938804
"1246510"	473.045285	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Br"	78.918885
"1316252"	475.101272	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Cl+HCOOH"	80.974872
"1332652"	497.083229	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Cl+NaCOOH"	102.956829
"924440"	507.111986	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M-H+CF3COOH"	112.985586
"1302241"	543.088664	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Cl+CF3COOH"	148.962264
"1370925"	359.113724	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H-2H2O"	-35.012676
"1394989"	377.1237	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H-H2O"	-17.0027
"294675"	789.260076	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+H"	1.007276
"687825"	1183.386476	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+H"	1.007276
"1360165"	395.133676	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H"	1.007276
"139253"	395.133676	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+2H"	2.014552
"577722"	592.196876	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+2H"	2.014552
"1049072"	198.070476	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2H"	2.014552
"218068"	263.758209333333	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+3H"	3.021828
"656900"	395.133676	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+3H"	3.021828
"1175754"	132.382742666667	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+3H"	3.021828
"436838"	806.286623	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+NH4"	18.033823
"795647"	1200.413023	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+NH4"	18.033823
"1694529"	412.160223	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+NH4"	18.033823
"342443"	403.6469495	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+H+NH4"	19.041099
"736321"	600.7101495	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+H+NH4"	19.041099
"1489775"	206.5837495	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H+NH4"	19.041099
"407001"	811.242018	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+Na"	22.989218
"767631"	1205.368418	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+Na"	22.989218
"1616457"	417.115618	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Na"	22.989218
"326493"	406.124647	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+H+Na"	23.996494
"715631"	603.187847	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+H+Na"	23.996494
"1469452"	209.061447	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H+Na"	23.996494
"1061605"	139.710056666667	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2H+Na"	25.00377
"1268387"	427.159886	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+CH3OH+H"	33.033486
"391342"	827.215958	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+K"	38.963158
"753069"	1221.342358	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+K"	38.963158
"1551475"	433.089558	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+K"	38.963158
"306465"	414.111617	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+H+K"	39.970434
"699980"	611.174817	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+H+K"	39.970434
"1458906"	217.048417	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H+K"	39.970434
"250305"	830.286626	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+ACN+H"	42.033826
"1221319"	436.160226	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+ACN+H"	42.033826
"1203376"	218.583751	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+ACN+2H"	43.041102
"198434"	833.22396	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+2Na-H"	44.97116
"631438"	1227.35036	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+2Na-H"	44.97116
"1138225"	439.09756	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2Na-H"	44.97116
"177141"	417.115618	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+2Na"	45.978436
"619979"	614.178818	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+2Na"	45.978436
"1115828"	220.052418	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2Na"	45.978436
"1398525"	147.037370666667	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H+2Na"	46.985712
"1430496"	441.139146	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H+HCOOH"	47.012746
"220078"	422.14864	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+3H2O+2H"	56.04448
"1508449"	455.19119	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+IsoProp+H"	61.06479
"422774"	425.102588	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+Na+K"	61.952376
"780851"	622.165788	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+Na+K"	61.952376
"1678641"	228.039388	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Na+K"	61.952376
"265771"	852.268568	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+ACN+Na"	64.015768
"1238600"	458.142168	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+ACN+Na"	64.015768
"1724571"	458.165693	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+NH4+HCOOH"	64.039293
"1190654"	154.364684666667	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+3Na"	68.967654
"1665047"	463.121088	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Na+HCOOH"	68.994688
"169595"	865.17184	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+2K-H"	76.91904
"612194"	1259.29824	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+2K-H"	76.91904
"1099384"	471.04544	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2K-H"	76.91904
"154856"	433.089558	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"2M+2K"	77.926316
"595267"	630.152758	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"3M+2K"	77.926316
"1078929"	236.026358	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2K"	77.926316
"1114083"	473.059992	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2K+H"	78.933592
"1350224"	473.147607	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+DMSO+H"	79.021207
"1018145"	477.186776	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2ACN+H"	83.060376
"1528617"	478.180408	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+IsoProp+Na+H"	84.054008
"995068"	239.097026	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+2ACN+2H"	84.067652
"1589935"	479.095028	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+K+HCOOH"	84.968628
"1423979"	509.126538	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+H+CF3COOH"	115.000138
"1150990"	259.610301	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+3ACN+2H"	125.094202
"1699448"	526.153085	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+NH4+CF3COOH"	132.026685
"1636193"	531.10848	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+Na+CF3COOH"	136.98208
"1583875"	547.08242	"C09172"	"Podolactone B"	"C19H22O9"	"394.1264"	"M+K+CF3COOH"	152.95602
"813146"	330.1467	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M"	0
"986687"	311.12831	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-H2O-H"	-19.01839
"77117"	219.090524	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M-3H"	-3.021828
"516678"	329.139424	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M-3H"	-3.021828
"892291"	109.041624	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-3H"	-3.021828
"13056"	329.139424	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M-2H"	-2.014552
"453705"	494.212774	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M-2H"	-2.014552
"831509"	164.066074	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-2H"	-2.014552
"92717"	659.286124	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M-H"	-1.007276
"531057"	989.432824	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M-H"	-1.007276
"906671"	329.139424	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-H"	-1.007276
"57766"	676.312671	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M-2H+NH4"	16.019271
"500605"	1006.459371	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M-2H+NH4"	16.019271
"874036"	346.165971	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-2H+NH4"	16.019271
"43030"	681.268066	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M-2H+Na"	20.974666
"482589"	1011.414766	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M-2H+Na"	20.974666
"861121"	351.121366	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-2H+Na"	20.974666
"1625551"	351.121366	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Na-2H"	20.974666
"98801"	347.127763	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M-H+Cl"	33.962126
"537632"	512.201113	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M-H+Cl"	33.962126
"928228"	182.054413	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-H+Cl"	33.962126
"268973"	695.262802	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+Cl"	34.969402
"665043"	1025.409502	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+Cl"	34.969402
"1278541"	365.116102	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Cl"	34.969402
"24379"	697.242006	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M-2H+K"	36.948606
"461753"	1027.388706	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M-2H+K"	36.948606
"834814"	367.095306	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-2H+K"	36.948606
"1564138"	367.095306	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+K-2H"	36.948606
"957856"	375.144894	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-H+HCOOH"	44.998194
"373519"	705.291601	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+HCOOH-H"	44.998201
"351570"	719.307251	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+Hac-H"	59.013851
"1499673"	389.160551	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Hac-H"	59.013851
"967213"	397.126851	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-H+NaCOOH"	66.980151
"113208"	365.116102	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+2Cl"	69.938804
"558972"	530.189452	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+2Cl"	69.938804
"1028864"	200.042752	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2Cl"	69.938804
"1246256"	409.065585	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Br"	78.918885
"1315267"	411.121572	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Cl+HCOOH"	80.974872
"1332762"	433.103529	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Cl+NaCOOH"	102.956829
"921634"	443.132286	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M-H+CF3COOH"	112.985586
"1296155"	479.108964	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Cl+CF3COOH"	148.962264
"1371035"	295.134024	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H-2H2O"	-35.012676
"1386712"	313.144	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H-H2O"	-17.0027
"294783"	661.300676	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+H"	1.007276
"688299"	991.447376	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+H"	1.007276
"1356265"	331.153976	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H"	1.007276
"137907"	331.153976	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+2H"	2.014552
"580021"	496.227326	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+2H"	2.014552
"1051975"	166.080626	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2H"	2.014552
"218784"	221.105076	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+3H"	3.021828
"658104"	331.153976	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+3H"	3.021828
"1176227"	111.056176	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+3H"	3.021828
"437315"	678.327223	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+NH4"	18.033823
"798676"	1008.473923	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+NH4"	18.033823
"1694276"	348.180523	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+NH4"	18.033823
"344741"	339.6672495	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+H+NH4"	19.041099
"737891"	504.7405995	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+H+NH4"	19.041099
"1491955"	174.5938995	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H+NH4"	19.041099
"407476"	683.282618	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+Na"	22.989218
"769199"	1013.429318	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+Na"	22.989218
"1615474"	353.135918	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Na"	22.989218
"326603"	342.144947	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+H+Na"	23.996494
"716834"	507.218297	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+H+Na"	23.996494
"1469562"	177.071597	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H+Na"	23.996494
"1064996"	118.38349	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2H+Na"	25.00377
"1271048"	363.180186	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+CH3OH+H"	33.033486
"392669"	699.256558	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+K"	38.963158
"753542"	1029.403258	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+K"	38.963158
"1554137"	369.109858	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+K"	38.963158
"312773"	350.131917	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+H+K"	39.970434
"704101"	515.205267	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+H+K"	39.970434
"1460115"	185.058567	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H+K"	39.970434
"247989"	702.327226	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+ACN+H"	42.033826
"1221793"	372.180526	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+ACN+H"	42.033826
"1204582"	186.593901	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+ACN+2H"	43.041102
"196358"	705.26456	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+2Na-H"	44.97116
"628681"	1035.41126	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+2Na-H"	44.97116
"1133350"	375.11786	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2Na-H"	44.97116
"174087"	353.135918	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+2Na"	45.978436
"617902"	518.209268	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+2Na"	45.978436
"1116544"	188.062568	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2Na"	45.978436
"1399094"	125.710804	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H+2Na"	46.985712
"1435953"	377.159446	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H+HCOOH"	47.012746
"220665"	358.16894	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+3H2O+2H"	56.04448
"1508605"	391.21149	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+IsoProp+H"	61.06479
"414499"	361.122888	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+Na+K"	61.952376
"780597"	526.196238	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+Na+K"	61.952376
"1678023"	196.049538	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Na+K"	61.952376
"265273"	724.309168	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+ACN+Na"	64.015768
"1237252"	394.162468	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+ACN+Na"	64.015768
"1726139"	394.185993	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+NH4+HCOOH"	64.039293
"1192952"	133.038118	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+3Na"	68.967654
"1663938"	399.141388	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Na+HCOOH"	68.994688
"167518"	737.21244	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+2K-H"	76.91904
"611459"	1067.35914	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+2K-H"	76.91904
"1099368"	407.06574	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2K-H"	76.91904
"155942"	369.109858	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"2M+2K"	77.926316
"592339"	534.183208	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"3M+2K"	77.926316
"1079039"	204.036508	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2K"	77.926316
"1114072"	409.080292	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2K+H"	78.933592
"1346445"	409.167907	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+DMSO+H"	79.021207
"1013882"	413.207076	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2ACN+H"	83.060376
"1528727"	414.200708	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+IsoProp+Na+H"	84.054008
"995178"	207.107176	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+2ACN+2H"	84.067652
"1598429"	415.115328	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+K+HCOOH"	84.968628
"1427369"	445.146838	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+H+CF3COOH"	115.000138
"1157660"	227.620451	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+3ACN+2H"	125.094202
"1708305"	462.173385	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+NH4+CF3COOH"	132.026685
"1639582"	467.12878	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+Na+CF3COOH"	136.98208
"1583985"	483.10272	"C09173"	"Podolide"	"C19H22O5"	"330.1467"	"M+K+CF3COOH"	152.95602
"808881"	346.1416	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M"	0
"987890"	327.12321	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"75040"	229.753790666667	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"517841"	345.134324	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"895360"	114.373257333333	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"15110"	345.134324	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"454914"	518.205124	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"832470"	172.063524	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"92703"	691.275924	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"533720"	1037.417524	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"910064"	345.134324	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"58972"	708.302471	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"502587"	1054.444071	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"878400"	362.160871	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"44236"	713.257866	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"485983"	1059.399466	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"860507"	367.116266	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1632225"	367.116266	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"106566"	363.122663	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"543941"	536.193463	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"940739"	190.051863	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"281482"	727.252602	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"674878"	1073.394202	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1288133"	381.111002	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"26312"	729.231806	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"464050"	1075.373406	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"842947"	383.090206	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1566435"	383.090206	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"956875"	391.139794	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"376712"	737.281401	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"358243"	751.297051	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1507812"	405.155451	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"972793"	413.121751	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"123166"	381.111002	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"562358"	554.181802	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1033348"	208.040202	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1250742"	425.060485	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1309181"	427.116472	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1331780"	449.098429	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"925024"	459.127186	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1299181"	495.103864	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1373331"	311.128924	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1391925"	329.1389	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"295258"	693.290476	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"682941"	1039.432076	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1354186"	347.148876	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"139110"	347.148876	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"579037"	520.219676	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1051842"	174.078076	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"216826"	231.768342666667	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"657853"	347.148876	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1176336"	116.387809333333	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"438518"	710.317023	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"798786"	1056.458623	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1695844"	364.175423	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"345500"	355.6621495	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"736907"	528.7329495	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1489635"	182.5913495	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"405399"	715.272418	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"765302"	1061.414018	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1617653"	369.130818	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"325623"	358.139847	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"721811"	531.210647	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1475870"	185.069047	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1067827"	123.715123333333	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1270795"	379.175086	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"392700"	731.246358	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"753733"	1077.387958	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1554817"	385.104758	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"313249"	366.126817	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"707070"	539.197617	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1460590"	193.056017	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"250163"	734.317026	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1222632"	388.175426	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1207608"	194.591351	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"199748"	737.25436	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"630561"	1083.39596	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1139535"	391.11276	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"178450"	369.130818	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"624571"	542.201618	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1118357"	196.060018	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1400906"	131.042437333333	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1440436"	393.154346	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"231225"	374.16384	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1510544"	407.20639	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"414609"	377.117788	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"779978"	550.188588	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1679226"	204.046988	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"265383"	756.298968	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1237724"	410.157368	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1724427"	410.180893	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1191971"	138.369751333333	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1662956"	415.136288	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"170911"	769.20224	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"612297"	1115.34384	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1098868"	423.06064	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"156048"	385.104758	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"594635"	558.175558	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1076960"	212.033958	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1109077"	425.075192	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1345463"	425.162807	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1018365"	429.201976	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1529930"	430.195608	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"998568"	215.104626	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1596352"	431.110228	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1427480"	461.141738	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1154489"	235.617901	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1706227"	478.168285	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1639692"	483.12368	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1584095"	499.09762	"C09174"	"Ponalactone A"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"812273"	336.2301	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M"	0
"989690"	317.21171	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"78323"	223.146124	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"517952"	335.222824	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"894703"	111.069424	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"15061"	335.222824	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"454299"	503.337874	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"831977"	167.107774	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"92455"	671.452924	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"533956"	1007.683024	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"909082"	335.222824	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"62365"	688.479471	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"502410"	1024.709571	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"877174"	352.249371	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"46818"	693.434866	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"485000"	1029.664966	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"861709"	357.204766	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1630148"	357.204766	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"107769"	353.211163	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"541864"	521.326213	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"937566"	185.096113	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"281592"	707.429602	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"674018"	1043.659702	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1288000"	371.199502	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"27879"	709.408806	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"467440"	1045.638906	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"843057"	373.178706	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1566910"	373.178706	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"956621"	381.228294	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"376173"	717.458401	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"360298"	731.474051	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1507678"	395.243951	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"973390"	403.210251	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"121454"	371.199502	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"561375"	539.314552	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1032365"	203.084452	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1250853"	415.148985	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1310023"	417.204972	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1331892"	439.186929	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"923678"	449.215686	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1302572"	485.192364	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1380373"	301.217424	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1393860"	319.2274	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"297556"	673.467476	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"690586"	1009.697576	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1362316"	337.237376	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"137760"	337.237376	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"580484"	505.352426	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1048305"	169.122326	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"217300"	225.160676	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"658324"	337.237376	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1177058"	113.083976	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"436441"	690.494023	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"799625"	1026.724123	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1694860"	354.263923	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"344597"	345.7506495	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"736287"	513.8656995	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1487919"	177.6355995	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"405509"	695.449418	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"767599"	1031.679518	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1617642"	359.219318	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"324640"	348.228347	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"719247"	516.343397	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1474158"	180.113297	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1063028"	120.41129	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1270541"	369.263586	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"391914"	711.423358	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"752667"	1047.653458	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1554724"	375.193258	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"313360"	356.215317	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"706844"	524.330367	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1461068"	188.100267	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"248942"	714.494026	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1222378"	378.263926	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1206992"	189.635601	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"200225"	717.43136	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"633952"	1053.66146	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1138555"	381.20126	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"181842"	359.219318	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"626142"	527.334368	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1122720"	191.104268	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1410618"	127.738604	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1441640"	383.242846	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"231335"	364.25234	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1509438"	397.29489	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"414719"	367.206288	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"781911"	535.321338	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1680068"	199.091238	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"266223"	736.475968	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1238929"	400.245868	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1724538"	400.269393	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1193541"	135.065918	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1664889"	405.224788	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"168834"	749.37924	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"610831"	1085.60934	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1099756"	413.14914	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"156159"	375.193258	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"594746"	543.308308	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1079259"	207.078208	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1114049"	415.163692	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1348732"	415.251307	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1014103"	419.290476	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1532229"	420.284108	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"1003053"	210.148876	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1598649"	421.198728	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1429052"	451.230238	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1162499"	230.662151	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1710712"	468.256785	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1639803"	473.21218	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1584205"	489.18612	"C09175"	"Portulal"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"813477"	291.1583	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M"	0
"989572"	272.13991	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-H2O-H"	-19.01839
"77937"	193.098257333333	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M-3H"	-3.021828
"518105"	290.151024	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M-3H"	-3.021828
"894935"	96.0454906666667	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-3H"	-3.021828
"14728"	290.151024	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M-2H"	-2.014552
"452952"	435.730174	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M-2H"	-2.014552
"831482"	144.571874	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-2H"	-2.014552
"91109"	581.309324	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M-H"	-1.007276
"532121"	872.467624	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M-H"	-1.007276
"907005"	290.151024	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-H"	-1.007276
"61989"	598.335871	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M-2H+NH4"	16.019271
"500574"	889.494171	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M-2H+NH4"	16.019271
"878864"	307.177571	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-2H+NH4"	16.019271
"45913"	603.291266	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M-2H+Na"	20.974666
"485109"	894.449566	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M-2H+Na"	20.974666
"860725"	312.132966	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-2H+Na"	20.974666
"1633054"	312.132966	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Na-2H"	20.974666
"105693"	308.139363	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M-H+Cl"	33.962126
"541974"	453.718513	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M-H+Cl"	33.962126
"937676"	162.560213	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-H+Cl"	33.962126
"281220"	617.286002	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+Cl"	34.969402
"673401"	908.444302	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+Cl"	34.969402
"1286895"	326.127702	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Cl"	34.969402
"28718"	619.265206	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M-2H+K"	36.948606
"463176"	910.423506	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M-2H+K"	36.948606
"847788"	328.106906	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-2H+K"	36.948606
"1568114"	328.106906	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+K-2H"	36.948606
"955268"	336.156494	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-H+HCOOH"	44.998194
"376282"	627.314801	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+HCOOH-H"	44.998201
"360287"	641.330451	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+Hac-H"	59.013851
"1504750"	350.172151	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Hac-H"	59.013851
"971923"	358.138451	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-H+NaCOOH"	66.980151
"119735"	326.127702	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+2Cl"	69.938804
"554557"	471.706852	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+2Cl"	69.938804
"1026638"	180.548552	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2Cl"	69.938804
"1252052"	370.077185	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Br"	78.918885
"1313414"	372.133172	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Cl+HCOOH"	80.974872
"1332364"	394.115129	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Cl+NaCOOH"	102.956829
"925975"	404.143886	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M-H+CF3COOH"	112.985586
"1296484"	440.120564	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Cl+CF3COOH"	148.962264
"1378658"	256.145624	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H-2H2O"	-35.012676
"1398104"	274.1556	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H-H2O"	-17.0027
"298359"	583.323876	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+H"	1.007276
"690088"	874.482176	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+H"	1.007276
"1366437"	292.165576	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H"	1.007276
"140303"	292.165576	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+2H"	2.014552
"580833"	437.744726	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+2H"	2.014552
"1048415"	146.586426	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2H"	2.014552
"218506"	195.112809333333	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+3H"	3.021828
"658437"	292.165576	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+3H"	3.021828
"1177649"	98.0600426666667	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+3H"	3.021828
"437644"	600.350423	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+NH4"	18.033823
"799736"	891.508723	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+NH4"	18.033823
"1694241"	309.192123	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+NH4"	18.033823
"343857"	300.6788495	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+H+NH4"	19.041099
"736033"	446.2579995	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+H+NH4"	19.041099
"1488029"	155.0996995	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H+NH4"	19.041099
"405619"	605.305818	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+Na"	22.989218
"768439"	896.464118	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+Na"	22.989218
"1615807"	314.147518	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Na"	22.989218
"326934"	303.156547	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+H+Na"	23.996494
"718260"	448.735697	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+H+Na"	23.996494
"1471714"	157.577397	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H+Na"	23.996494
"1063138"	105.387356666667	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2H+Na"	25.00377
"1271015"	324.191786	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+CH3OH+H"	33.033486
"391540"	621.279758	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+K"	38.963158
"752535"	912.438058	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+K"	38.963158
"1555321"	330.121458	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+K"	38.963158
"313110"	311.143517	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+H+K"	39.970434
"706260"	456.722667	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+H+K"	39.970434
"1460446"	165.564367	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H+K"	39.970434
"249785"	624.350426	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+ACN+H"	42.033826
"1224677"	333.192126	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+ACN+H"	42.033826
"1209291"	167.099701	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+ACN+2H"	43.041102
"203135"	627.28776	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+2Na-H"	44.97116
"641721"	918.44606	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+2Na-H"	44.97116
"1144499"	336.12946	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2Na-H"	44.97116
"186694"	314.147518	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+2Na"	45.978436
"627836"	459.726668	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+2Na"	45.978436
"1122107"	168.568368	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2Na"	45.978436
"1407448"	112.714670666667	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H+2Na"	46.985712
"1438470"	338.171046	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H+HCOOH"	47.012746
"229260"	319.18054	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+3H2O+2H"	56.04448
"1514043"	352.22309	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+IsoProp+H"	61.06479
"422121"	322.134488	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+Na+K"	61.952376
"780198"	467.713638	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+Na+K"	61.952376
"1680906"	176.555338	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Na+K"	61.952376
"267062"	646.332368	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+ACN+Na"	64.015768
"1241301"	355.174068	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+ACN+Na"	64.015768
"1728385"	355.197593	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+NH4+HCOOH"	64.039293
"1193695"	120.041984666667	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+3Na"	68.967654
"1665123"	360.152988	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Na+HCOOH"	68.994688
"172719"	659.23564	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+2K-H"	76.91904
"612273"	950.39394	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+2K-H"	76.91904
"1099707"	368.07734	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2K-H"	76.91904
"157101"	330.121458	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"2M+2K"	77.926316
"596691"	475.700608	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"3M+2K"	77.926316
"1083389"	184.542308	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2K"	77.926316
"1115468"	370.091892	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2K+H"	78.933592
"1345683"	370.179507	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+DMSO+H"	79.021207
"1015308"	374.218676	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2ACN+H"	83.060376
"1532340"	375.212308	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+IsoProp+Na+H"	84.054008
"1003163"	187.612976	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+2ACN+2H"	84.067652
"1599860"	376.126928	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+K+HCOOH"	84.968628
"1429406"	406.158438	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+H+CF3COOH"	115.000138
"1161640"	208.126251	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+3ACN+2H"	125.094202
"1709730"	423.184985	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+NH4+CF3COOH"	132.026685
"1646474"	428.14038	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+Na+CF3COOH"	136.98208
"1584315"	444.11432	"C09176"	"Eseridine"	"C15H21N3O3"	"291.1583"	"M+K+CF3COOH"	152.95602
"804838"	332.1988	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M"	0
"989522"	313.18041	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"77558"	220.458590666667	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"514932"	331.191524	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"893828"	109.725657333333	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"12771"	331.191524	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"453424"	497.290924	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"830493"	165.092124	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"92187"	663.390324	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"530407"	995.589124	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"908208"	331.191524	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"60032"	680.416871	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"499347"	1012.615671	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"877394"	348.218071	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"44564"	685.372266	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"479750"	1017.571066	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"858644"	353.173466	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1625992"	353.173466	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"99242"	349.179863	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"538802"	515.279263	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"931224"	183.080463	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"268689"	699.367002	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"665483"	1031.565802	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1278981"	367.168202	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"27006"	701.346206	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"463286"	1033.545006	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"834891"	369.147406	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1561297"	369.147406	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"952462"	377.196994	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"368490"	709.395801	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"349823"	723.411451	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1498290"	391.212651	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"965466"	399.178951	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"116562"	367.168202	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"550330"	533.267602	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1026019"	201.068802	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1248882"	411.117685	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1307317"	413.173672	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1333933"	435.155629	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"924625"	445.184386	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1294407"	481.161064	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1378768"	297.186124	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1397120"	315.1961	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"298143"	665.404876	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"689834"	997.603676	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1366183"	333.206076	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"140167"	333.206076	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"579361"	499.305476	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1048525"	167.106676	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"217522"	222.473142666667	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"659229"	333.206076	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1175206"	111.740209333333	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"436294"	682.431423	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"800211"	1014.630223	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1692529"	350.232623	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"341902"	341.7193495	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"734320"	507.8187495	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1487046"	175.6199495	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"405729"	687.386818	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"767819"	1019.585618	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1613731"	355.188018	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"325951"	344.197047	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"717277"	510.296447	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1470002"	178.097647	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1063248"	119.067523333333	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1269303"	365.232286	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"391891"	703.360758	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"753375"	1035.559558	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1555070"	371.161958	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"312853"	352.184017	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"705639"	518.283417	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1459461"	186.084617	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"249523"	706.431426	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1222967"	374.232626	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1207944"	187.619951	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"202637"	709.36876	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"641468"	1041.56756	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1144610"	377.16996	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"185711"	355.188018	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"627947"	521.287418	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1124768"	189.088618	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1404279"	126.394837333333	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1437487"	379.211546	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"228277"	360.22104	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1514154"	393.26359	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"421139"	363.174988	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"781404"	529.274388	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1679196"	197.075588	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"264256"	728.413368	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1238059"	396.214568	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1728394"	396.238093	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1192307"	133.722151333333	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1665110"	401.193488	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"171974"	741.31664	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"612139"	1073.51544	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1098235"	409.11784	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"156383"	371.161958	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"595947"	537.261358	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1082039"	205.062558	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1115248"	411.132392	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1344700"	411.220007	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1016513"	415.259176	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1532450"	416.252808	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"1002180"	208.133226	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1601671"	417.167428	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1426719"	447.198938	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1161750"	228.646501	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1709840"	464.225485	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1645491"	469.18088	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1584425"	485.15482	"C09177"	"Premarrubiin"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"811511"	364.1886	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M"	0
"989471"	345.17021	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"77876"	241.785124	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"516138"	363.181324	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"893819"	120.388924	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"14339"	363.181324	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"452808"	545.275624	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"831214"	181.087024	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"91815"	727.369924	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"531978"	1091.558524	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"909048"	363.181324	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"60872"	744.396471	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"501035"	1108.585071	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"876411"	380.207871	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"42487"	749.351866	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"480953"	1113.540466	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"857661"	385.163266	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1628287"	385.163266	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"99352"	381.169663	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"541098"	563.263963	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"932427"	199.075363	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"272079"	763.346602	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"665593"	1127.535202	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1279091"	399.158002	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"27116"	765.325806	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"463396"	1129.514406	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"833421"	401.137206	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1561407"	401.137206	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"952571"	409.186794	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"368600"	773.375401	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"348475"	787.391051	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1496213"	423.202451	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"967762"	431.168751	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"113026"	399.158002	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"550270"	581.252302	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1025036"	217.063702	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1248993"	443.107485	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1305604"	445.163472	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1332950"	467.145429	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"922913"	477.174186	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1299621"	513.150864	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1375959"	329.175924	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1389083"	347.1859	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"289863"	729.384476	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"680096"	1093.573076	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1359729"	365.195876	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"141293"	365.195876	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"579471"	547.290176	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1050822"	183.101576	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"219334"	243.799676	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"659501"	365.195876	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1177139"	122.403476	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"436404"	746.411023	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"801011"	1110.599623	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1691547"	382.222423	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"342012"	373.7091495	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"735523"	555.8034495	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1484970"	191.6148495	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"403649"	751.366418	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"765740"	1115.555018	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1612748"	387.177818	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"326061"	376.186847	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"716294"	558.281147	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1467926"	194.092547	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1062265"	129.73079	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1269413"	397.222086	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"390542"	767.340358	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"753892"	1131.528958	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1555467"	403.151758	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"313207"	384.173817	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"705747"	566.268117	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1457748"	202.079517	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"246350"	770.411026	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1224171"	406.222426	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1208052"	203.614851	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"202991"	773.34836	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"642677"	1137.53696	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1145695"	409.15976	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"186552"	387.177818	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"627206"	569.272118	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1129617"	205.083518	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1408768"	137.058104	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1438697"	411.201346	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"233493"	392.21084	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1517181"	425.25339	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"420158"	395.164788	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"782248"	577.259088	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1676755"	213.070488	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"264735"	792.392968	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1238539"	428.204368	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1725241"	428.227893	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1192052"	144.385418	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1662677"	433.183288	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"170261"	805.29624	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"609825"	1169.48484	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1096890"	441.10764	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"153703"	403.151758	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"593265"	585.246058	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1081303"	221.057458	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1113652"	443.122192	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1350162"	443.209807	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1017725"	447.248976	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1536945"	448.242608	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"1003636"	224.128126	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1600446"	449.157228	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1429022"	479.188738	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1160038"	244.641401	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1710681"	496.215285	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1646695"	501.17068	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1584535"	517.14462	"C09178"	"Resiniferonol"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"805058"	628.2672	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M"	0
"980779"	609.24881	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-H2O-H"	-19.01839
"77407"	417.837524	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M-3H"	-3.021828
"518379"	627.259924	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M-3H"	-3.021828
"895507"	208.415124	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-3H"	-3.021828
"15341"	627.259924	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M-2H"	-2.014552
"455224"	941.393524	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M-2H"	-2.014552
"832175"	313.126324	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-2H"	-2.014552
"93377"	1255.527124	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M-H"	-1.007276
"532092"	1883.794324	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M-H"	-1.007276
"909528"	627.259924	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-H"	-1.007276
"60624"	1272.553671	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M-2H+NH4"	16.019271
"496897"	1900.820871	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M-2H+NH4"	16.019271
"877987"	644.286471	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-2H+NH4"	16.019271
"45517"	1277.509066	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M-2H+Na"	20.974666
"483983"	1905.776266	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M-2H+Na"	20.974666
"858867"	649.241866	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-2H+Na"	20.974666
"1626211"	649.241866	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Na-2H"	20.974666
"99462"	645.248263	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M-H+Cl"	33.962126
"541210"	959.381863	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M-H+Cl"	33.962126
"934725"	331.114663	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-H+Cl"	33.962126
"278385"	1291.503802	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+Cl"	34.969402
"671173"	1919.771002	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+Cl"	34.969402
"1283576"	663.236602	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Cl"	34.969402
"25040"	1293.483006	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M-2H+K"	36.948606
"469705"	1921.750206	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M-2H+K"	36.948606
"838028"	665.215806	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-2H+K"	36.948606
"1564797"	665.215806	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+K-2H"	36.948606
"954868"	673.265394	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-H+HCOOH"	44.998194
"370897"	1301.532601	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+HCOOH-H"	44.998201
"350772"	1315.548251	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+Hac-H"	59.013851
"1501425"	687.281051	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Hac-H"	59.013851
"971156"	695.247351	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-H+NaCOOH"	66.980151
"116782"	663.236602	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+2Cl"	69.938804
"552335"	977.370202	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+2Cl"	69.938804
"1025875"	349.103002	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2Cl"	69.938804
"1249103"	707.186085	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Br"	78.918885
"1306811"	709.242072	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Cl+HCOOH"	80.974872
"1333428"	731.224029	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Cl+NaCOOH"	102.956829
"925577"	741.252786	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M-H+CF3COOH"	112.985586
"1300828"	777.229464	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Cl+CF3COOH"	148.962264
"1377163"	593.254524	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H-2H2O"	-35.012676
"1397579"	611.2645	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H-H2O"	-17.0027
"294349"	1257.541676	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+H"	1.007276
"686039"	1885.808876	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+H"	1.007276
"1365919"	629.274476	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H"	1.007276
"139655"	629.274476	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+2H"	2.014552
"581124"	943.408076	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+2H"	2.014552
"1049839"	315.140876	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2H"	2.014552
"219688"	419.852076	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+3H"	3.021828
"658394"	629.274476	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+3H"	3.021828
"1177249"	210.429676	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+3H"	3.021828
"436514"	1274.568223	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+NH4"	18.033823
"799702"	1902.835423	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+NH4"	18.033823
"1690564"	646.301023	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+NH4"	18.033823
"341029"	637.7877495	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+H+NH4"	19.041099
"734540"	951.9213495	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+H+NH4"	19.041099
"1483987"	323.6541495	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H+NH4"	19.041099
"401573"	1279.523618	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+Na"	22.989218
"764757"	1907.790818	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+Na"	22.989218
"1612858"	651.256418	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Na"	22.989218
"326171"	640.265447	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+H+Na"	23.996494
"716404"	954.399047	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+H+Na"	23.996494
"1469129"	326.131847	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H+Na"	23.996494
"1061279"	217.75699	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2H+Na"	25.00377
"1269523"	661.300686	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+CH3OH+H"	33.033486
"390652"	1295.497558	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+K"	38.963158
"754084"	1923.764758	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+K"	38.963158
"1555162"	667.230358	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+K"	38.963158
"313076"	648.252417	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+H+K"	39.970434
"705127"	962.386017	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+H+K"	39.970434
"1458951"	334.118817	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H+K"	39.970434
"249376"	1298.568226	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+ACN+H"	42.033826
"1223191"	670.301026	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+ACN+H"	42.033826
"1209018"	335.654151	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+ACN+2H"	43.041102
"204093"	1301.50556	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+2Na-H"	44.97116
"643639"	1929.77276	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+2Na-H"	44.97116
"1146415"	673.23836	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2Na-H"	44.97116
"187638"	651.256418	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+2Na"	45.978436
"627927"	965.390018	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+2Na"	45.978436
"1127543"	337.122818	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2Na"	45.978436
"1408879"	225.084304	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H+2Na"	46.985712
"1444966"	675.279946	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H+HCOOH"	47.012746
"234698"	656.28944	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+3H2O+2H"	56.04448
"1518749"	689.33199	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+IsoProp+H"	61.06479
"418439"	659.243388	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+Na+K"	61.952376
"783454"	973.376988	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+Na+K"	61.952376
"1677231"	345.109788	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Na+K"	61.952376
"262291"	1320.550168	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+ACN+Na"	64.015768
"1238648"	692.282968	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+ACN+Na"	64.015768
"1724622"	692.306493	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+NH4+HCOOH"	64.039293
"1191434"	232.411618	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+3Na"	68.967654
"1662785"	697.261888	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Na+HCOOH"	68.994688
"171468"	1333.45344	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+2K-H"	76.91904
"610301"	1961.72064	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+2K-H"	76.91904
"1096271"	705.18624	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2K-H"	76.91904
"153452"	667.230358	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"2M+2K"	77.926316
"594467"	981.363958	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"3M+2K"	77.926316
"1081898"	353.096758	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2K"	77.926316
"1114856"	707.200792	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2K+H"	78.933592
"1349297"	707.288407	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+DMSO+H"	79.021207
"1019291"	711.327576	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2ACN+H"	83.060376
"1538752"	712.321208	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+IsoProp+Na+H"	84.054008
"1004107"	356.167426	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+2ACN+2H"	84.067652
"1600923"	713.235828	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+K+HCOOH"	84.968628
"1428400"	743.267338	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+H+CF3COOH"	115.000138
"1162336"	376.680701	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+3ACN+2H"	125.094202
"1711883"	760.293885	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+NH4+CF3COOH"	132.026685
"1646805"	765.24928	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+Na+CF3COOH"	136.98208
"1584645"	781.22322	"C09179"	"Resiniferatoxin;RTX"	"C37H40O9"	"628.2672"	"M+K+CF3COOH"	152.95602
"805168"	454.2567	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M"	0
"985262"	435.23831	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-H2O-H"	-19.01839
"76060"	301.830524	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M-3H"	-3.021828
"518262"	453.249424	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M-3H"	-3.021828
"895416"	150.411624	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-3H"	-3.021828
"15526"	453.249424	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M-2H"	-2.014552
"454841"	680.377774	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M-2H"	-2.014552
"829726"	226.121074	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-2H"	-2.014552
"87895"	907.506124	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M-H"	-1.007276
"531101"	1361.762824	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M-H"	-1.007276
"910367"	453.249424	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-H"	-1.007276
"60730"	924.532671	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M-2H+NH4"	16.019271
"497736"	1378.789371	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M-2H+NH4"	16.019271
"878823"	470.275971	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-2H+NH4"	16.019271
"44534"	929.488066	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M-2H+Na"	20.974666
"484093"	1383.744766	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M-2H+Na"	20.974666
"857884"	475.231366	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-2H+Na"	20.974666
"1626321"	475.231366	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Na-2H"	20.974666
"100665"	471.237763	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M-H+Cl"	33.962126
"536946"	698.366113	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M-H+Cl"	33.962126
"928396"	244.109413	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-H+Cl"	33.962126
"272299"	943.482802	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+Cl"	34.969402
"669096"	1397.739502	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+Cl"	34.969402
"1286602"	489.226102	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Cl"	34.969402
"27336"	945.462006	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M-2H+K"	36.948606
"469815"	1399.718706	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M-2H+K"	36.948606
"838138"	491.205306	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-2H+K"	36.948606
"1564907"	491.205306	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+K-2H"	36.948606
"954978"	499.254894	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-H+HCOOH"	44.998194
"372100"	953.511601	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+HCOOH-H"	44.998201
"353797"	967.527251	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+Hac-H"	59.013851
"1501535"	513.270551	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Hac-H"	59.013851
"967984"	521.236851	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-H+NaCOOH"	66.980151
"113976"	489.226102	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+2Cl"	69.938804
"552445"	716.354452	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+2Cl"	69.938804
"1027078"	262.097752	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2Cl"	69.938804
"1249213"	533.175585	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Br"	78.918885
"1308377"	535.231572	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Cl+HCOOH"	80.974872
"1333174"	557.213529	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Cl+NaCOOH"	102.956829
"925324"	567.242286	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M-H+CF3COOH"	112.985586
"1302032"	603.218964	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Cl+CF3COOH"	148.962264
"1376180"	419.244024	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H-2H2O"	-35.012676
"1396596"	437.254	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H-H2O"	-17.0027
"294459"	909.520676	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+H"	1.007276
"685421"	1363.777376	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+H"	1.007276
"1365055"	455.263976	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H"	1.007276
"139036"	455.263976	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+2H"	2.014552
"578234"	682.392326	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+2H"	2.014552
"1049950"	228.135626	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2H"	2.014552
"219557"	303.845076	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+3H"	3.021828
"656319"	455.263976	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+3H"	3.021828
"1175538"	152.426176	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+3H"	3.021828
"435531"	926.547223	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+NH4"	18.033823
"798353"	1380.803923	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+NH4"	18.033823
"1690673"	472.290523	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+NH4"	18.033823
"340775"	463.7772495	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+H+NH4"	19.041099
"730277"	690.9055995	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+H+NH4"	19.041099
"1486283"	236.6488995	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H+NH4"	19.041099
"402776"	931.502618	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+Na"	22.989218
"764867"	1385.759318	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+Na"	22.989218
"1614061"	477.245918	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Na"	22.989218
"323730"	466.254947	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+H+Na"	23.996494
"715422"	693.383297	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+H+Na"	23.996494
"1465595"	239.126597	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H+Na"	23.996494
"1059203"	159.75349	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2H+Na"	25.00377
"1267812"	487.290186	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+CH3OH+H"	33.033486
"390762"	947.476558	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+K"	38.963158
"754193"	1401.733258	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+K"	38.963158
"1554543"	493.219858	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+K"	38.963158
"313549"	474.241917	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+H+K"	39.970434
"704144"	701.370267	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+H+K"	39.970434
"1460156"	247.113567	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H+K"	39.970434
"248393"	950.547226	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+ACN+H"	42.033826
"1224880"	496.290526	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+ACN+H"	42.033826
"1209132"	248.648901	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+ACN+2H"	43.041102
"204111"	953.48456	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+2Na-H"	44.97116
"644172"	1407.74126	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+2Na-H"	44.97116
"1146812"	499.22786	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2Na-H"	44.97116
"188282"	477.245918	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+2Na"	45.978436
"628284"	704.374268	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+2Na"	45.978436
"1130816"	250.117568	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2Na"	45.978436
"1413773"	167.080804	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H+2Na"	46.985712
"1445198"	501.269446	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H+HCOOH"	47.012746
"232985"	482.27894	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+3H2O+2H"	56.04448
"1518859"	515.32149	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+IsoProp+H"	61.06479
"422923"	485.232888	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+Na+K"	61.952376
"784985"	712.361238	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+Na+K"	61.952376
"1680263"	258.104538	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Na+K"	61.952376
"266170"	972.529168	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+ACN+Na"	64.015768
"1239734"	518.272468	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+ACN+Na"	64.015768
"1727892"	518.295993	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+NH4+HCOOH"	64.039293
"1192882"	174.408118	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+3Na"	68.967654
"1664355"	523.251388	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Na+HCOOH"	68.994688
"171702"	985.43244	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+2K-H"	76.91904
"610779"	1439.68914	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+2K-H"	76.91904
"1097720"	531.17574	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2K-H"	76.91904
"155384"	493.219858	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"2M+2K"	77.926316
"595306"	720.348208	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"3M+2K"	77.926316
"1083344"	266.091508	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2K"	77.926316
"1113750"	533.190292	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2K+H"	78.933592
"1350500"	533.277907	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+DMSO+H"	79.021207
"1019764"	537.317076	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2ACN+H"	83.060376
"1539591"	538.310708	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+IsoProp+Na+H"	84.054008
"1004705"	269.162176	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+2ACN+2H"	84.067652
"1601395"	539.225328	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+K+HCOOH"	84.968628
"1428878"	569.256838	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+H+CF3COOH"	115.000138
"1162202"	289.675451	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+3ACN+2H"	125.094202
"1711993"	586.283385	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+NH4+CF3COOH"	132.026685
"1645822"	591.23878	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+Na+CF3COOH"	136.98208
"1584755"	607.21272	"C09180"	"Rhodojaponin IV"	"C24H38O8"	"454.2567"	"M+K+CF3COOH"	152.95602
"805278"	640.1792	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M"	0
"982092"	621.16081	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-H2O-H"	-19.01839
"75441"	425.778857333333	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M-3H"	-3.021828
"517678"	639.171924	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M-3H"	-3.021828
"894751"	212.385790666667	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-3H"	-3.021828
"14905"	639.171924	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M-2H"	-2.014552
"453128"	959.261524	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M-2H"	-2.014552
"829107"	319.082324	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-2H"	-2.014552
"86912"	1279.351124	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M-H"	-1.007276
"528660"	1919.530324	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M-H"	-1.007276
"909747"	639.171924	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-H"	-1.007276
"60839"	1296.377671	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M-2H+NH4"	16.019271
"494930"	1936.556871	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M-2H+NH4"	16.019271
"876381"	656.198471	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-2H+NH4"	16.019271
"42822"	1301.333066	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M-2H+Na"	20.974666
"480923"	1941.512266	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M-2H+Na"	20.974666
"857993"	661.153866	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-2H+Na"	20.974666
"1626431"	661.153866	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Na-2H"	20.974666
"100775"	657.160263	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M-H+Cl"	33.962126
"535152"	977.249863	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M-H+Cl"	33.962126
"928385"	337.070663	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-H+Cl"	33.962126
"272409"	1315.327802	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+Cl"	34.969402
"669207"	1955.507002	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+Cl"	34.969402
"1283432"	675.148602	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Cl"	34.969402
"27082"	1317.307006	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M-2H+K"	36.948606
"465553"	1957.486206	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M-2H+K"	36.948606
"838248"	677.127806	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-2H+K"	36.948606
"1561737"	677.127806	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+K-2H"	36.948606
"951808"	685.177394	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-H+HCOOH"	44.998194
"367836"	1325.356601	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+HCOOH-H"	44.998201
"355000"	1339.372251	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+Hac-H"	59.013851
"1503832"	699.193051	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Hac-H"	59.013851
"967001"	707.159351	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-H+NaCOOH"	66.980151
"117001"	675.148602	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+2Cl"	69.938804
"551827"	995.238202	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+2Cl"	69.938804
"1027188"	355.059002	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2Cl"	69.938804
"1250416"	719.098085	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Br"	78.918885
"1308487"	721.154072	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Cl+HCOOH"	80.974872
"1332553"	743.136029	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Cl+NaCOOH"	102.956829
"925795"	753.164786	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M-H+CF3COOH"	112.985586
"1302871"	789.141464	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Cl+CF3COOH"	148.962264
"1375197"	605.166524	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H-2H2O"	-35.012676
"1397070"	623.1765	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H-H2O"	-17.0027
"294933"	1281.365676	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+H"	1.007276
"685531"	1921.544876	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+H"	1.007276
"1352766"	641.186476	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H"	1.007276
"134407"	641.186476	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+2H"	2.014552
"578708"	961.276076	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+2H"	2.014552
"1048968"	321.096876	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2H"	2.014552
"219304"	427.793409333333	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+3H"	3.021828
"656428"	641.186476	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+3H"	3.021828
"1175648"	214.400342666667	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+3H"	3.021828
"436370"	1298.392223	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+NH4"	18.033823
"799435"	1938.571423	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+NH4"	18.033823
"1691876"	658.213023	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+NH4"	18.033823
"340156"	649.6997495	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+H+NH4"	19.041099
"729293"	969.7893495	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+H+NH4"	19.041099
"1486393"	329.6101495	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H+NH4"	19.041099
"400700"	1303.347618	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+Na"	22.989218
"764977"	1943.526818	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+Na"	22.989218
"1613078"	663.168418	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Na"	22.989218
"323110"	652.177447	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+H+Na"	23.996494
"715896"	972.267047	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+H+Na"	23.996494
"1469347"	332.087847	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H+Na"	23.996494
"1060405"	221.727656666667	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2H+Na"	25.00377
"1267557"	673.212686	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+CH3OH+H"	33.033486
"389050"	1319.321558	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+K"	38.963158
"749319"	1959.500758	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+K"	38.963158
"1551010"	679.142358	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+K"	38.963158
"312564"	660.164417	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+H+K"	39.970434
"700974"	980.254017	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+H+K"	39.970434
"1460875"	340.074817	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H+K"	39.970434
"247410"	1322.392226	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+ACN+H"	42.033826
"1225396"	682.213026	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+ACN+H"	42.033826
"1209728"	341.610151	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+ACN+2H"	43.041102
"204018"	1325.32956	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+2Na-H"	44.97116
"644104"	1965.50876	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+2Na-H"	44.97116
"1146721"	685.15036	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2Na-H"	44.97116
"188358"	663.168418	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+2Na"	45.978436
"628276"	983.258018	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+2Na"	45.978436
"1130196"	343.078818	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2Na"	45.978436
"1414089"	229.054970666667	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H+2Na"	46.985712
"1444496"	687.191946	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H+HCOOH"	47.012746
"234188"	668.20144	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+3H2O+2H"	56.04448
"1518969"	701.24399	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+IsoProp+H"	61.06479
"420847"	671.155388	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+Na+K"	61.952376
"784775"	991.244988	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+Na+K"	61.952376
"1681061"	351.065788	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Na+K"	61.952376
"266891"	1344.374168	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+ACN+Na"	64.015768
"1241264"	704.194968	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+ACN+Na"	64.015768
"1728209"	704.218493	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+NH4+HCOOH"	64.039293
"1193719"	236.382284666667	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+3Na"	68.967654
"1665314"	709.173888	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Na+HCOOH"	68.994688
"172296"	1357.27744	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+2K-H"	76.91904
"611618"	1997.45664	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+2K-H"	76.91904
"1096857"	717.09824	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2K-H"	76.91904
"155372"	679.142358	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"2M+2K"	77.926316
"594322"	999.231958	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"3M+2K"	77.926316
"1082113"	359.052758	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2K"	77.926316
"1112038"	719.112792	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2K+H"	78.933592
"1348423"	719.200407	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+DMSO+H"	79.021207
"1019510"	723.239576	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2ACN+H"	83.060376
"1537269"	724.233208	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+IsoProp+Na+H"	84.054008
"1004814"	362.123426	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+2ACN+2H"	84.067652
"1602535"	725.147828	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+K+HCOOH"	84.968628
"1429351"	755.179338	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+H+CF3COOH"	115.000138
"1162707"	382.636701	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+3ACN+2H"	125.094202
"1710281"	772.205885	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+NH4+CF3COOH"	132.026685
"1645932"	777.16128	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+Na+CF3COOH"	136.98208
"1584865"	793.13522	"C09181"	"Chartreusin"	"C32H32O14"	"640.1792"	"M+K+CF3COOH"	152.95602
"814136"	316.2038	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M"	0
"989131"	297.18541	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"75914"	209.795257333333	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"517298"	315.196524	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"894373"	104.393990666667	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"14409"	315.196524	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"454216"	473.298424	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"830311"	157.094624	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"88115"	631.400324	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"528770"	947.604124	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"910712"	315.196524	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"60585"	648.426871	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"498319"	964.630671	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"877948"	332.223071	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"44755"	653.382266	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"483586"	969.586066	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"858103"	337.178466	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1626541"	337.178466	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"100885"	333.184863	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"544820"	491.286763	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"938335"	175.082963	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"275799"	667.377002	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"671139"	983.580802	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1285728"	351.173202	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"26462"	669.356206	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"463841"	985.560006	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"843464"	353.152406	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1565127"	353.152406	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"953013"	361.201994	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"372321"	677.405801	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"352924"	691.421451	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1501756"	375.217651	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"967111"	383.183951	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"114559"	351.173202	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"550594"	509.275102	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1023651"	193.071302	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1250524"	395.122685	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1310055"	397.178672	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1331568"	419.160629	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"922624"	429.189386	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1299333"	465.166064	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1373119"	281.191124	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1389523"	299.2011	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"287022"	633.414876	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"676160"	949.618676	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1353964"	317.211076	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"128684"	317.211076	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"566418"	475.312976	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1052171"	159.109176	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"219865"	211.809809333333	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"658608"	317.211076	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1175396"	106.408542666667	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"436847"	650.441423	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"799673"	966.645223	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1691987"	334.237623	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"341360"	325.7243495	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"732683"	483.8262495	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1485410"	167.6224495	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"402997"	655.396818	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"766181"	971.600618	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1613188"	339.193018	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"323220"	328.202047	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"716734"	486.303947	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1469456"	170.100147	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1058328"	113.735856666667	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1268759"	349.237286	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"389889"	671.370758	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"750523"	987.574558	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1551483"	355.166958	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"313406"	336.189017	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"703271"	494.290917	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1458187"	178.087117	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"248979"	674.441426	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1223146"	358.237626	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1205570"	179.622451	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"203966"	677.37876	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"644130"	993.58256	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1146628"	361.17496	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"188096"	339.193018	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"627775"	497.294918	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1130432"	181.091118	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1413591"	121.063170666667	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1445222"	363.216546	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"235524"	344.22604	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1521270"	377.26859	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"420957"	347.179988	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"784522"	505.281888	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1680486"	189.078088	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"265906"	696.423368	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1240197"	380.219568	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1727753"	380.243093	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1193878"	128.390484666667	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1664820"	385.198488	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"171800"	709.32664	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"611477"	1025.53044	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1097818"	393.12284	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"154511"	355.166958	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"594801"	513.268858	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1082591"	197.065058	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1112883"	395.137392	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1346715"	395.225007	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1020959"	399.264176	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1537018"	400.257808	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"1005288"	200.135726	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1602226"	401.172428	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1429343"	431.203938	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1162306"	220.649001	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1711731"	448.230485	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1648960"	453.18588	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1584975"	469.15982	"C09182"	"Royleanone"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"805498"	308.2715	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M"	0
"983407"	289.25311	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-H2O-H"	-19.01839
"76024"	204.507057333333	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M-3H"	-3.021828
"517044"	307.264224	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M-3H"	-3.021828
"892296"	101.749890666667	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-3H"	-3.021828
"13424"	307.264224	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M-2H"	-2.014552
"451160"	461.399974	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M-2H"	-2.014552
"826045"	153.128474	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-2H"	-2.014552
"83849"	615.535724	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M-H"	-1.007276
"525597"	923.807224	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M-H"	-1.007276
"902304"	307.264224	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-H"	-1.007276
"53399"	632.562271	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M-2H+NH4"	16.019271
"498429"	940.833771	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M-2H+NH4"	16.019271
"878423"	324.290771	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-2H+NH4"	16.019271
"44499"	637.517666	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M-2H+Na"	20.974666
"483694"	945.789166	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M-2H+Na"	20.974666
"862586"	329.246166	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-2H+Na"	20.974666
"1629932"	329.246166	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Na-2H"	20.974666
"100995"	325.252563	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M-H+Cl"	33.962126
"541650"	479.388313	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M-H+Cl"	33.962126
"938445"	171.116813	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-H+Cl"	33.962126
"275909"	651.512402	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+Cl"	34.969402
"671613"	959.783902	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+Cl"	34.969402
"1285474"	343.240902	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Cl"	34.969402
"28395"	653.491606	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M-2H+K"	36.948606
"463948"	961.763106	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M-2H+K"	36.948606
"836280"	345.220106	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-2H+K"	36.948606
"1558677"	345.220106	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+K-2H"	36.948606
"955309"	353.269694	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-H+HCOOH"	44.998194
"374617"	661.541201	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+HCOOH-H"	44.998201
"349024"	675.556851	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+Hac-H"	59.013851
"1494939"	367.285351	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Hac-H"	59.013851
"962843"	375.251651	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-H+NaCOOH"	66.980151
"112846"	343.240902	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+2Cl"	69.938804
"551067"	497.376652	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+2Cl"	69.938804
"1023397"	189.105152	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2Cl"	69.938804
"1247719"	387.190385	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Br"	78.918885
"1310165"	389.246372	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Cl+HCOOH"	80.974872
"1331678"	411.228329	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Cl+NaCOOH"	102.956829
"922734"	421.257086	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M-H+CF3COOH"	112.985586
"1299443"	457.233764	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Cl+CF3COOH"	148.962264
"1373229"	273.258824	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H-2H2O"	-35.012676
"1389633"	291.2688	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H-H2O"	-17.0027
"287496"	617.550276	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+H"	1.007276
"675906"	925.821776	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+H"	1.007276
"1351765"	309.278776	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H"	1.007276
"129887"	309.278776	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+2H"	2.014552
"567622"	463.414526	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+2H"	2.014552
"1037880"	155.143026	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2H"	2.014552
"209429"	206.521609333333	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+3H"	3.021828
"650083"	309.278776	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+3H"	3.021828
"1174045"	103.764442666667	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+3H"	3.021828
"438048"	634.576823	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+NH4"	18.033823
"799047"	942.848323	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+NH4"	18.033823
"1692097"	326.305323	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+NH4"	18.033823
"342559"	317.7920495	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+H+NH4"	19.041099
"732793"	471.9277995	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+H+NH4"	19.041099
"1488800"	163.6562995	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H+NH4"	19.041099
"404200"	639.532218	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+Na"	22.989218
"765198"	947.803718	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+Na"	22.989218
"1613297"	331.260718	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Na"	22.989218
"326610"	320.269747	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+H+Na"	23.996494
"716844"	474.405497	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+H+Na"	23.996494
"1468473"	166.133997	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H+Na"	23.996494
"1060625"	111.091756666667	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2H+Na"	25.00377
"1267775"	341.304986	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+CH3OH+H"	33.033486
"390363"	655.506158	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+K"	38.963158
"753548"	963.777658	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+K"	38.963158
"1552685"	347.234658	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+K"	38.963158
"309860"	328.256717	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+H+K"	39.970434
"697908"	482.392467	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+H+K"	39.970434
"1453924"	174.120967	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H+K"	39.970434
"246536"	658.576826	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+ACN+H"	42.033826
"1220701"	350.305326	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+ACN+H"	42.033826
"1204585"	175.656301	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+ACN+2H"	43.041102
"198550"	661.51416	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+2Na-H"	44.97116
"643599"	969.78566	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+2Na-H"	44.97116
"1146007"	353.24266	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2Na-H"	44.97116
"186130"	331.260718	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+2Na"	45.978436
"627885"	485.396468	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+2Na"	45.978436
"1130536"	177.124968	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2Na"	45.978436
"1413206"	118.419070666667	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H+2Na"	46.985712
"1445079"	355.284246	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H+HCOOH"	47.012746
"235149"	336.29374	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+3H2O+2H"	56.04448
"1522723"	369.33629	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+IsoProp+H"	61.06479
"419974"	339.247688	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+Na+K"	61.952376
"784509"	493.383438	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+Na+K"	61.952376
"1680352"	185.111938	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Na+K"	61.952376
"266140"	680.558768	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+ACN+Na"	64.015768
"1240674"	372.287268	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+ACN+Na"	64.015768
"1727982"	372.310793	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+NH4+HCOOH"	64.039293
"1193335"	125.746384666667	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+3Na"	68.967654
"1664566"	377.266188	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Na+HCOOH"	68.994688
"171060"	693.46204	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+2K-H"	76.91904
"612196"	1001.73354	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+2K-H"	76.91904
"1098163"	385.19054	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2K-H"	76.91904
"155714"	347.234658	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"2M+2K"	77.926316
"596002"	501.370408	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"3M+2K"	77.926316
"1082700"	193.098908	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2K"	77.926316
"1112261"	387.205092	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2K+H"	78.933592
"1347188"	387.292707	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+DMSO+H"	79.021207
"1021319"	391.331876	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2ACN+H"	83.060376
"1538584"	392.325508	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+IsoProp+Na+H"	84.054008
"1003939"	196.169576	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+2ACN+2H"	84.067652
"1602702"	393.240128	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+K+HCOOH"	84.968628
"1429333"	423.271638	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+H+CF3COOH"	115.000138
"1162746"	216.682851	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+3ACN+2H"	125.094202
"1712329"	440.298185	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+NH4+CF3COOH"	132.026685
"1649070"	445.25358	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+Na+CF3COOH"	136.98208
"1585085"	461.22752	"C09183"	"Sclareol;(13R)-Labd-14-ene-8alpha13-diol"	"C20H36O2"	"308.2715"	"M+K+CF3COOH"	152.95602
"805608"	362.1729	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M"	0
"982422"	343.15451	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"73945"	240.441324	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"509132"	361.165624	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"894228"	119.717024	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"13536"	361.165624	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"451634"	542.252074	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"823968"	180.079174	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"89426"	723.338524	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"525705"	1085.511424	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"905694"	361.165624	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"56789"	740.365071	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"496348"	1102.537971	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"877438"	378.192171	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"44612"	745.320466	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"484898"	1107.493366	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"862698"	383.147566	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1632961"	383.147566	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"104385"	379.153963	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"541760"	560.240413	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"935275"	198.067513	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"272739"	759.315202	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"669536"	1121.488102	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1283032"	397.142302	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"26682"	761.294406	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"467338"	1123.467306	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"839670"	399.121506	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1559880"	399.121506	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"949952"	407.171094	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"372540"	769.344001	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"349498"	783.359651	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1496141"	421.186751	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"964048"	429.153051	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"112956"	397.142302	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"551425"	578.228752	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1024599"	216.055852	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1246372"	441.091785	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1311004"	443.147772	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1330695"	465.129729	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"922844"	475.158486	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1299553"	511.135164	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1373339"	327.160224	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1389743"	345.1702	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"287606"	725.353076	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"677472"	1087.525976	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1354914"	363.180176	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"129267"	363.180176	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"568823"	544.266626	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1039810"	182.093726	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"207349"	242.455876	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"650193"	363.180176	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1167225"	121.731576	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"433782"	742.379623	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"799152"	1104.552523	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1695483"	380.206723	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"337199"	371.6934495	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"731807"	552.7798995	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1488910"	190.6069995	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"404310"	747.335018	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"764211"	1109.507918	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1615590"	385.162118	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"323437"	374.171147	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"714764"	555.257597	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1467490"	193.084697	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1059641"	129.05889	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1265696"	395.206386	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"389744"	763.308958	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"750744"	1125.481858	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1548419"	401.136058	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"307783"	382.158117	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"698018"	563.244567	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1457314"	201.071667	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"245917"	766.379626	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1221905"	404.206726	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1206516"	202.607001	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"199753"	769.31696	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"643912"	1131.48986	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1146231"	407.14406	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"187583"	385.162118	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"627387"	566.248568	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1130520"	204.075668	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1413438"	136.386204	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1445396"	409.185646	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"234781"	390.19514	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1522223"	423.23769	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"418990"	393.149088	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"784861"	574.235538	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1680341"	212.062638	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"265888"	788.361568	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1240865"	426.188668	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1727850"	426.212193	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1193567"	143.713518	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1664188"	431.167588	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"170197"	801.26484	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"611214"	1163.43774	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1097910"	439.09194	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"155097"	401.136058	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"596113"	582.222508	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1083382"	220.049608	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1112007"	441.106492	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1348393"	441.194107	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1020330"	445.233276	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1536505"	446.226908	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"1004413"	223.120276	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1601104"	447.141528	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1429565"	477.173038	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1162404"	243.633551	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1712196"	494.199585	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1648452"	499.15498	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1585195"	515.12892	"C09184"	"Shikodonin"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"806811"	532.3036	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M"	0
"979252"	513.28521	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-H2O-H"	-19.01839
"75148"	353.861790666667	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M-3H"	-3.021828
"511428"	531.296324	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M-3H"	-3.021828
"893609"	176.427257333333	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-3H"	-3.021828
"13646"	531.296324	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M-2H"	-2.014552
"450651"	797.448124	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M-2H"	-2.014552
"826264"	265.144524	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-2H"	-2.014552
"91722"	1063.599924	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M-H"	-1.007276
"526908"	1595.903524	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M-H"	-1.007276
"906897"	531.296324	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-H"	-1.007276
"59083"	1080.626471	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M-2H+NH4"	16.019271
"495362"	1612.930071	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M-2H+NH4"	16.019271
"873168"	548.322871	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-2H+NH4"	16.019271
"45081"	1085.581866	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M-2H+Na"	20.974666
"485736"	1617.885466	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M-2H+Na"	20.974666
"862809"	553.278266	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-2H+Na"	20.974666
"1633434"	553.278266	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Na-2H"	20.974666
"104495"	549.284663	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M-H+Cl"	33.962126
"541870"	815.436463	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M-H+Cl"	33.962126
"935385"	283.132863	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-H+Cl"	33.962126
"276129"	1099.576602	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+Cl"	34.969402
"671832"	1631.880202	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+Cl"	34.969402
"1283142"	567.273002	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Cl"	34.969402
"26792"	1101.555806	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M-2H+K"	36.948606
"467448"	1633.859406	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M-2H+K"	36.948606
"834309"	569.252206	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-2H+K"	36.948606
"1557433"	569.252206	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+K-2H"	36.948606
"952245"	577.301794	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-H+HCOOH"	44.998194
"372650"	1109.605401	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+HCOOH-H"	44.998201
"359086"	1123.621051	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+Hac-H"	59.013851
"1499535"	591.317451	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Hac-H"	59.013851
"963064"	599.283751	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-H+NaCOOH"	66.980151
"114520"	567.273002	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+2Cl"	69.938804
"552264"	833.424802	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+2Cl"	69.938804
"1024709"	301.121202	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2Cl"	69.938804
"1250854"	611.222485	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Br"	78.918885
"1311478"	613.278472	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Cl+HCOOH"	80.974872
"1331898"	635.260429	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Cl+NaCOOH"	102.956829
"921861"	645.289186	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M-H+CF3COOH"	112.985586
"1297477"	681.265864	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Cl+CF3COOH"	148.962264
"1372356"	497.290924	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H-2H2O"	-35.012676
"1389853"	515.3009	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H-H2O"	-17.0027
"287352"	1065.614476	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+H"	1.007276
"677948"	1597.918076	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+H"	1.007276
"1355024"	533.310876	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H"	1.007276
"127189"	533.310876	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+2H"	2.014552
"567232"	799.462676	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+2H"	2.014552
"1038461"	267.159076	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2H"	2.014552
"206365"	355.876342666667	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+3H"	3.021828
"651396"	533.310876	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+3H"	3.021828
"1166241"	178.441809333333	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+3H"	3.021828
"429514"	1082.641023	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+NH4"	18.033823
"792692"	1614.944623	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+NH4"	18.033823
"1686836"	550.337423	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+NH4"	18.033823
"336213"	541.8241495	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+H+NH4"	19.041099
"730821"	807.9759495	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+H+NH4"	19.041099
"1485736"	275.6723495	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H+NH4"	19.041099
"403324"	1087.596418	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+Na"	22.989218
"765414"	1619.900018	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+Na"	22.989218
"1615698"	555.292818	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Na"	22.989218
"322454"	544.301847	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+H+Na"	23.996494
"713781"	810.453647	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+H+Na"	23.996494
"1468694"	278.150047	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H+Na"	23.996494
"1054038"	185.769123333333	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2H+Na"	25.00377
"1264711"	565.337086	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+CH3OH+H"	33.033486
"388759"	1103.570358	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+K"	38.963158
"753766"	1635.873958	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+K"	38.963158
"1545249"	571.266758	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+K"	38.963158
"306796"	552.288817	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+H+K"	39.970434
"692657"	818.440617	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+H+K"	39.970434
"1457418"	286.137017	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H+K"	39.970434
"246026"	1106.641026	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+ACN+H"	42.033826
"1217637"	574.337426	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+ACN+H"	42.033826
"1204438"	287.672351	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+ACN+2H"	43.041102
"197675"	1109.57836	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+2Na-H"	44.97116
"644090"	1641.88196	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+2Na-H"	44.97116
"1144027"	577.27476	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2Na-H"	44.97116
"186223"	555.292818	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+2Na"	45.978436
"625785"	821.444618	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+2Na"	45.978436
"1130021"	289.141018	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2Na"	45.978436
"1413060"	193.096437333333	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H+2Na"	46.985712
"1445594"	579.316346	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H+HCOOH"	47.012746
"235245"	560.32584	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+3H2O+2H"	56.04448
"1521237"	593.36839	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+IsoProp+H"	61.06479
"422017"	563.279788	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+Na+K"	61.952376
"784847"	829.431588	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+Na+K"	61.952376
"1680205"	297.127988	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Na+K"	61.952376
"265998"	1128.622968	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+ACN+Na"	64.015768
"1239311"	596.319368	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+ACN+Na"	64.015768
"1727350"	596.342893	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+NH4+HCOOH"	64.039293
"1193755"	200.423751333333	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+3Na"	68.967654
"1664054"	601.298288	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Na+HCOOH"	68.994688
"171280"	1141.52624	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+2K-H"	76.91904
"612413"	1673.82984	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+2K-H"	76.91904
"1096561"	609.22264	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2K-H"	76.91904
"155200"	571.266758	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"2M+2K"	77.926316
"595492"	837.418558	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"3M+2K"	77.926316
"1080001"	305.114958	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2K"	77.926316
"1109200"	611.237192	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2K+H"	78.933592
"1347410"	611.324807	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+DMSO+H"	79.021207
"1019592"	615.363976	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2ACN+H"	83.060376
"1536251"	616.357608	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+IsoProp+Na+H"	84.054008
"1003065"	308.185626	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+2ACN+2H"	84.067652
"1600485"	617.272228	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+K+HCOOH"	84.968628
"1428822"	647.303738	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+H+CF3COOH"	115.000138
"1161904"	328.698901	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+3ACN+2H"	125.094202
"1711815"	664.330285	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+NH4+CF3COOH"	132.026685
"1648561"	669.28568	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+Na+CF3COOH"	136.98208
"1585305"	685.25962	"C09185"	"Simplexin"	"C30H44O8"	"532.3036"	"M+K+CF3COOH"	152.95602
"805828"	316.1311	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M"	0
"982642"	297.11271	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-H2O-H"	-19.01839
"75258"	209.746790666667	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M-3H"	-3.021828
"509352"	315.123824	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M-3H"	-3.021828
"894327"	104.369757333333	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-3H"	-3.021828
"14485"	315.123824	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M-2H"	-2.014552
"452583"	473.189374	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M-2H"	-2.014552
"826374"	157.058274	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-2H"	-2.014552
"88552"	631.254924	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M-H"	-1.007276
"527015"	947.386024	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M-H"	-1.007276
"907007"	315.123824	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-H"	-1.007276
"55914"	648.281471	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M-2H+NH4"	16.019271
"494379"	964.412571	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M-2H+NH4"	16.019271
"877651"	332.150371	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-2H+NH4"	16.019271
"45193"	653.236866	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M-2H+Na"	20.974666
"485118"	969.367966	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M-2H+Na"	20.974666
"862919"	337.105766	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-2H+Na"	20.974666
"1632452"	337.105766	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Na-2H"	20.974666
"104605"	333.112163	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M-H+Cl"	33.962126
"544167"	491.177713	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M-H+Cl"	33.962126
"938047"	175.046613	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-H+Cl"	33.962126
"276239"	667.231602	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+Cl"	34.969402
"670486"	983.362702	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+Cl"	34.969402
"1284711"	351.100502	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Cl"	34.969402
"25809"	669.210806	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M-2H+K"	36.948606
"466465"	985.341906	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M-2H+K"	36.948606
"833244"	353.079706	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-2H+K"	36.948606
"1556816"	353.079706	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+K-2H"	36.948606
"949439"	361.129294	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-H+HCOOH"	44.998194
"372760"	677.260401	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+HCOOH-H"	44.998201
"356643"	691.276051	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+Hac-H"	59.013851
"1499281"	375.144951	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Hac-H"	59.013851
"961351"	383.111251	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-H+NaCOOH"	66.980151
"111352"	351.100502	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+2Cl"	69.938804
"553467"	509.166052	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+2Cl"	69.938804
"1026277"	193.034952	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2Cl"	69.938804
"1253150"	395.049985	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Br"	78.918885
"1311224"	397.105972	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Cl+HCOOH"	80.974872
"1332009"	419.087929	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Cl+NaCOOH"	102.956829
"923064"	429.116686	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M-H+CF3COOH"	112.985586
"1299774"	465.093364	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Cl+CF3COOH"	148.962264
"1373559"	281.118424	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H-2H2O"	-35.012676
"1388870"	299.1284	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H-H2O"	-17.0027
"287462"	633.269476	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+H"	1.007276
"678423"	949.400576	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+H"	1.007276
"1355135"	317.138376	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H"	1.007276
"126571"	317.138376	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+2H"	2.014552
"568681"	475.203926	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+2H"	2.014552
"1039666"	159.072826	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2H"	2.014552
"207569"	211.761342666667	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+3H"	3.021828
"650410"	317.138376	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+3H"	3.021828
"1167444"	106.384309333333	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+3H"	3.021828
"432903"	650.296023	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+NH4"	18.033823
"792802"	966.427123	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+NH4"	18.033823
"1688040"	334.164923	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+NH4"	18.033823
"336319"	325.6516495	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+H+NH4"	19.041099
"729839"	483.7171995	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+H+NH4"	19.041099
"1481471"	167.5860995	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H+NH4"	19.041099
"402341"	655.251418	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+Na"	22.989218
"766617"	971.382518	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+Na"	22.989218
"1609246"	339.120318	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Na"	22.989218
"321471"	328.129347	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+H+Na"	23.996494
"713891"	486.194897	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+H+Na"	23.996494
"1468804"	170.063797	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H+Na"	23.996494
"1056578"	113.711623333333	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2H+Na"	25.00377
"1259353"	349.164586	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+CH3OH+H"	33.033486
"388869"	671.225358	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+K"	38.963158
"752783"	987.356458	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+K"	38.963158
"1549732"	355.094258	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+K"	38.963158
"310186"	336.116317	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+H+K"	39.970434
"693132"	494.181867	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+H+K"	39.970434
"1455342"	178.050767	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H+K"	39.970434
"246129"	674.296026	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+ACN+H"	42.033826
"1222120"	358.164926	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+ACN+H"	42.033826
"1206735"	179.586101	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+ACN+2H"	43.041102
"203252"	677.23336	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+2Na-H"	44.97116
"644213"	993.36446	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+2Na-H"	44.97116
"1144748"	361.10226	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2Na-H"	44.97116
"185240"	339.120318	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+2Na"	45.978436
"626259"	497.185868	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+2Na"	45.978436
"1130131"	181.054768	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2Na"	45.978436
"1411832"	121.038937333333	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H+2Na"	46.985712
"1445593"	363.143846	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H+HCOOH"	47.012746
"235674"	344.15334	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+3H2O+2H"	56.04448
"1521346"	377.19589	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+IsoProp+H"	61.06479
"424073"	347.107288	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+Na+K"	61.952376
"784229"	505.172838	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+Na+K"	61.952376
"1681265"	189.041738	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Na+K"	61.952376
"266349"	696.277968	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+ACN+Na"	64.015768
"1241043"	380.146868	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+ACN+Na"	64.015768
"1727580"	380.170393	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+NH4+HCOOH"	64.039293
"1193947"	128.366251333333	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+3Na"	68.967654
"1665136"	385.125788	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Na+HCOOH"	68.994688
"172441"	709.18124	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+2K-H"	76.91904
"612158"	1025.31234	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+2K-H"	76.91904
"1097397"	393.05014	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2K-H"	76.91904
"154581"	355.094258	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"2M+2K"	77.926316
"594144"	513.159808	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"3M+2K"	77.926316
"1080477"	197.028708	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2K"	77.926316
"1111496"	395.064692	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2K+H"	78.933592
"1347884"	395.152307	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+DMSO+H"	79.021207
"1019698"	399.191476	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2ACN+H"	83.060376
"1536726"	400.185108	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+IsoProp+Na+H"	84.054008
"1003175"	200.099376	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+2ACN+2H"	84.067652
"1600959"	401.099728	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+K+HCOOH"	84.968628
"1429418"	431.131238	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+H+CF3COOH"	115.000138
"1162697"	220.612651	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+3ACN+2H"	125.094202
"1712293"	448.157785	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+NH4+CF3COOH"	132.026685
"1648670"	453.11318	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+Na+CF3COOH"	136.98208
"1585415"	469.08712	"C09186"	"Sorgolactone"	"C18H20O5"	"316.1311"	"M+K+CF3COOH"	152.95602
"805938"	303.1372	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M"	0
"979472"	284.11881	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-H2O-H"	-19.01839
"72088"	201.084190666667	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M-3H"	-3.021828
"509462"	302.129924	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M-3H"	-3.021828
"893101"	100.038457333333	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-3H"	-3.021828
"12041"	302.129924	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M-2H"	-2.014552
"451963"	453.698524	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M-2H"	-2.014552
"825391"	150.561324	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-2H"	-2.014552
"85382"	605.267124	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M-H"	-1.007276
"523846"	908.404324	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M-H"	-1.007276
"906754"	302.129924	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-H"	-1.007276
"56024"	622.293671	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M-2H+NH4"	16.019271
"492303"	925.430871	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M-2H+NH4"	16.019271
"871201"	319.156471	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-2H+NH4"	16.019271
"42022"	627.249066	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M-2H+Na"	20.974666
"482676"	930.386266	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M-2H+Na"	20.974666
"861570"	324.111866	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-2H+Na"	20.974666
"1631104"	324.111866	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Na-2H"	20.974666
"100342"	320.118263	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M-H+Cl"	33.962126
"540997"	471.686863	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M-H+Cl"	33.962126
"934512"	168.549663	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-H+Cl"	33.962126
"276349"	641.243802	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+Cl"	34.969402
"669502"	944.381002	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+Cl"	34.969402
"1282269"	338.106602	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Cl"	34.969402
"25919"	643.223006	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M-2H+K"	36.948606
"460377"	946.360206	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M-2H+K"	36.948606
"832952"	340.085806	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-2H+K"	36.948606
"1555673"	340.085806	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+K-2H"	36.948606
"943472"	348.135394	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-H+HCOOH"	44.998194
"369590"	651.272601	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+HCOOH-H"	44.998201
"351650"	665.288251	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+Hac-H"	59.013851
"1493554"	362.151051	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Hac-H"	59.013851
"959638"	370.117351	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-H+NaCOOH"	66.980151
"110203"	338.106602	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+2Cl"	69.938804
"550090"	489.675202	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+2Cl"	69.938804
"1025658"	186.538002	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2Cl"	69.938804
"1252167"	382.056085	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Br"	78.918885
"1311334"	384.112072	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Cl+HCOOH"	80.974872
"1331025"	406.094029	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Cl+NaCOOH"	102.956829
"919895"	416.122786	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M-H+CF3COOH"	112.985586
"1302071"	452.099464	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Cl+CF3COOH"	148.962264
"1372576"	268.124524	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H-2H2O"	-35.012676
"1387887"	286.1345	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H-H2O"	-17.0027
"287572"	607.281676	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+H"	1.007276
"678533"	910.418876	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+H"	1.007276
"1352330"	304.144476	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H"	1.007276
"128140"	304.144476	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+2H"	2.014552
"566967"	455.713076	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+2H"	2.014552
"1037952"	152.575876	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2H"	2.014552
"206586"	203.098742666667	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+3H"	3.021828
"648334"	304.144476	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+3H"	3.021828
"1164638"	102.053009333333	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+3H"	3.021828
"431920"	624.308223	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+NH4"	18.033823
"791819"	927.445423	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+NH4"	18.033823
"1682683"	321.171023	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+NH4"	18.033823
"330962"	312.6577495	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+H+NH4"	19.041099
"725571"	464.2263495	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+H+NH4"	19.041099
"1480487"	161.0891495	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H+NH4"	19.041099
"401358"	629.263618	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+Na"	22.989218
"761260"	932.400818	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+Na"	22.989218
"1608262"	326.126418	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Na"	22.989218
"318294"	315.135447	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+H+Na"	23.996494
"712906"	466.704047	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+H+Na"	23.996494
"1466727"	163.566847	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H+Na"	23.996494
"1053893"	109.380323333333	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2H+Na"	25.00377
"1259462"	336.170686	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+CH3OH+H"	33.033486
"387886"	645.237558	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+K"	38.963158
"752164"	948.374758	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+K"	38.963158
"1549842"	342.100358	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+K"	38.963158
"307016"	323.122417	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+H+K"	39.970434
"692878"	474.691017	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+H+K"	39.970434
"1455452"	171.553817	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H+K"	39.970434
"242960"	648.308226	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+ACN+H"	42.033826
"1221137"	345.171026	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+ACN+H"	42.033826
"1207576"	173.089151	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+ACN+2H"	43.041102
"201906"	651.24556	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+2Na-H"	44.97116
"643666"	954.38276	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+2Na-H"	44.97116
"1143883"	348.10836	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2Na-H"	44.97116
"182070"	326.126418	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+2Na"	45.978436
"626004"	477.695018	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+2Na"	45.978436
"1130969"	174.557818	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2Na"	45.978436
"1412672"	116.707637333333	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H+2Na"	46.985712
"1444059"	350.149946	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H+HCOOH"	47.012746
"234851"	331.15944	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+3H2O+2H"	56.04448
"1523278"	364.20199	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+IsoProp+H"	61.06479
"424024"	334.113388	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+Na+K"	61.952376
"784337"	485.681988	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+Na+K"	61.952376
"1680303"	182.544788	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Na+K"	61.952376
"266095"	670.290168	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+ACN+Na"	64.015768
"1240258"	367.152968	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+ACN+Na"	64.015768
"1728013"	367.176493	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+NH4+HCOOH"	64.039293
"1193770"	124.034951333333	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+3Na"	68.967654
"1663667"	372.131888	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Na+HCOOH"	68.994688
"171619"	683.19344	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+2K-H"	76.91904
"612228"	986.33064	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+2K-H"	76.91904
"1097143"	380.05624	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2K-H"	76.91904
"154327"	342.100358	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"2M+2K"	77.926316
"592796"	493.668958	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"3M+2K"	77.926316
"1080222"	190.531758	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2K"	77.926316
"1111605"	382.070792	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2K+H"	78.933592
"1347630"	382.158407	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+DMSO+H"	79.021207
"1020172"	386.197576	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2ACN+H"	83.060376
"1536836"	387.191208	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+IsoProp+Na+H"	84.054008
"1002921"	193.602426	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+2ACN+2H"	84.067652
"1601069"	388.105828	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+K+HCOOH"	84.968628
"1429654"	418.137338	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+H+CF3COOH"	115.000138
"1161760"	214.115701	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+3ACN+2H"	125.094202
"1712040"	435.163885	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+NH4+CF3COOH"	132.026685
"1649388"	440.11928	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+Na+CF3COOH"	136.98208
"1585525"	456.09322	"C09187"	"Evodiamine"	"C19H17N3O"	"303.1372"	"M+K+CF3COOH"	152.95602
"807141"	300.2089	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M"	0
"979582"	281.19051	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"72198"	199.131990666667	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"509571"	299.201624	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"886280"	99.0623573333333	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"14700"	299.201624	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"454140"	449.306074	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"826594"	149.097174	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"89865"	599.410524	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"525049"	899.619424	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"906864"	299.201624	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"56134"	616.437071	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"493506"	916.645971	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"871311"	316.228171	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"43954"	621.392466	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"482421"	921.601366	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"862045"	321.183566	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1631942"	321.183566	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"101545"	317.189963	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"541107"	467.294413	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"935715"	167.085513	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"276459"	635.387202	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"669976"	935.596102	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1283108"	335.178302	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"26029"	637.366406	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"460487"	937.575306	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"833657"	337.157506	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1555935"	337.157506	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"943702"	345.207094	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"369700"	645.416001	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"352488"	659.431651	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1493662"	359.222751	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"961570"	367.189051	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"110226"	335.178302	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"550280"	485.282752	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1023581"	185.073852	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1251184"	379.127785	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1313630"	381.183772	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1331864"	403.165729	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"920005"	413.194486	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1299994"	449.171164	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1372686"	265.196224	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1387997"	283.2062	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"288775"	601.425076	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"679737"	901.633976	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1353899"	301.216176	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"129343"	301.216176	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"567441"	451.320626	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1039156"	151.111726	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"207789"	201.146542666667	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"647350"	301.216176	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1165841"	101.076909333333	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"428749"	618.451623	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"793022"	918.660523	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1682306"	318.242723	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"333258"	309.7294495	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"725677"	459.8338995	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1480597"	159.6249995	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"402561"	623.407018	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"761369"	923.615918	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1606184"	323.198118	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"316581"	312.207147	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"713016"	462.311597	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1467930"	162.102697	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1053761"	108.404223333333	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1259572"	333.242386	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"386902"	639.380958	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"745712"	939.589858	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1547765"	339.172058	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"304939"	320.194117	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"693352"	470.298567	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1452282"	170.089667	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"240883"	642.451626	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1221246"	342.242726	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1207321"	171.625001	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"203477"	645.38896	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"643414"	945.59786	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1141077"	345.18006	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"182180"	323.198118	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"626114"	473.302568	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1130960"	173.093668	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1413636"	115.731537333333	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1444533"	347.221646	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"234477"	328.23114	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1521566"	361.27369	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"422349"	331.185088	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"784084"	481.289538	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1679322"	181.080638	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"265841"	664.433568	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1240006"	364.224668	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1727436"	364.248193	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1193517"	123.058851333333	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1664138"	369.203588	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"170633"	677.33684	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"608004"	977.54574	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1093607"	377.12794	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"153709"	339.172058	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"595701"	489.276508	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1078146"	189.067608	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1108436"	379.142492	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1346647"	379.230107	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1019433"	383.269276	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1535489"	384.262908	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"1004369"	192.138276	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1600086"	385.177528	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1429034"	415.209038	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1161871"	212.651551	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1712149"	432.235585	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1647797"	437.19098	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1585635"	453.16492	"C09188"	"Spruceanol"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"812719"	804.378	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M"	0
"985160"	785.35961	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-H2O-H"	-19.01839
"72308"	535.244724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M-3H"	-3.021828
"512963"	803.370724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M-3H"	-3.021828
"885297"	267.118724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-3H"	-3.021828
"13716"	803.370724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M-2H"	-2.014552
"453275"	1205.559724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M-2H"	-2.014552
"826704"	401.181724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-2H"	-2.014552
"87787"	1607.748724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M-H"	-1.007276
"525159"	2412.126724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M-H"	-1.007276
"907703"	803.370724	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-H"	-1.007276
"59526"	1624.775271	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M-2H+NH4"	16.019271
"493616"	2429.153271	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M-2H+NH4"	16.019271
"871421"	820.397271	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-2H+NH4"	16.019271
"42603"	1629.730666	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M-2H+Na"	20.974666
"479976"	2434.108666	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M-2H+Na"	20.974666
"856685"	825.352666	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-2H+Na"	20.974666
"1628405"	825.352666	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Na-2H"	20.974666
"98375"	821.359063	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M-H+Cl"	33.962126
"540123"	1223.548063	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M-H+Cl"	33.962126
"935825"	419.170063	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-H+Cl"	33.962126
"274382"	1643.725402	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+Cl"	34.969402
"670085"	2448.103402	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+Cl"	34.969402
"1281395"	839.347402	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Cl"	34.969402
"19577"	1645.704606	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M-2H+K"	36.948606
"459868"	2450.082606	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M-2H+K"	36.948606
"833123"	841.326606	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-2H+K"	36.948606
"1555929"	841.326606	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+K-2H"	36.948606
"943936"	849.376194	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-H+HCOOH"	44.998194
"369810"	1653.754201	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+HCOOH-H"	44.998201
"354786"	1667.769851	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+Hac-H"	59.013851
"1493773"	863.391851	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Hac-H"	59.013851
"960953"	871.358151	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-H+NaCOOH"	66.980151
"110038"	839.347402	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+2Cl"	69.938804
"551245"	1241.536402	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+2Cl"	69.938804
"1023325"	437.158402	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2Cl"	69.938804
"1249106"	883.296885	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Br"	78.918885
"1310459"	885.352872	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Cl+HCOOH"	80.974872
"1332338"	907.334829	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Cl+NaCOOH"	102.956829
"920115"	917.363586	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M-H+CF3COOH"	112.985586
"1300104"	953.340264	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Cl+CF3COOH"	148.962264
"1373889"	769.365324	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H-2H2O"	-35.012676
"1388107"	787.3753	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H-H2O"	-17.0027
"288885"	1609.763276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+H"	1.007276
"678025"	2414.141276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+H"	1.007276
"1353281"	805.385276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H"	1.007276
"129453"	805.385276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+2H"	2.014552
"567188"	1207.574276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+2H"	2.014552
"1037930"	403.196276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2H"	2.014552
"205467"	537.259276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+3H"	3.021828
"644335"	805.385276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+3H"	3.021828
"1167774"	269.133276	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+3H"	3.021828
"427766"	1626.789823	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+NH4"	18.033823
"787665"	2431.167823	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+NH4"	18.033823
"1682902"	822.411823	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+NH4"	18.033823
"333368"	813.8985495	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+H+NH4"	19.041099
"725787"	1216.0875495	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+H+NH4"	19.041099
"1480707"	411.7095495	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H+NH4"	19.041099
"403764"	1631.745218	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+Na"	22.989218
"760750"	2436.123218	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+Na"	22.989218
"1605929"	827.367218	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Na"	22.989218
"317420"	816.376247	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+H+Na"	23.996494
"709845"	1218.565247	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+H+Na"	23.996494
"1465488"	414.187247	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H+Na"	23.996494
"1054356"	276.46059	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2H+Na"	25.00377
"1260775"	837.411486	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+CH3OH+H"	33.033486
"384824"	1647.719158	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+K"	38.963158
"748008"	2452.097158	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+K"	38.963158
"1547873"	843.341158	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+K"	38.963158
"301769"	824.363217	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+H+K"	39.970434
"692003"	1226.552217	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+H+K"	39.970434
"1453485"	422.174217	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H+K"	39.970434
"242085"	1650.789826	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+ACN+H"	42.033826
"1219170"	846.411826	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+ACN+H"	42.033826
"1207067"	423.709551	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+ACN+2H"	43.041102
"203589"	1653.72716	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+2Na-H"	44.97116
"643397"	2458.10516	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+2Na-H"	44.97116
"1145559"	849.34916	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2Na-H"	44.97116
"187026"	827.367218	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+2Na"	45.978436
"625491"	1229.556218	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+2Na"	45.978436
"1128633"	425.178218	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2Na"	45.978436
"1412886"	283.787904	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H+2Na"	46.985712
"1439529"	851.390746	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H+HCOOH"	47.012746
"230318"	832.40024	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+3H2O+2H"	56.04448
"1519844"	865.44279	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+IsoProp+H"	61.06479
"420628"	835.354188	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+Na+K"	61.952376
"783089"	1237.543188	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+Na+K"	61.952376
"1674677"	433.165188	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Na+K"	61.952376
"263753"	1672.771768	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+ACN+Na"	64.015768
"1240801"	868.393768	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+ACN+Na"	64.015768
"1728037"	868.417293	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+NH4+HCOOH"	64.039293
"1190706"	291.115218	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+3Na"	68.967654
"1661326"	873.372688	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Na+HCOOH"	68.994688
"169645"	1685.67504	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+2K-H"	76.91904
"611033"	2490.05304	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+2K-H"	76.91904
"1095539"	881.29704	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2K-H"	76.91904
"152726"	843.341158	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"2M+2K"	77.926316
"592652"	1245.530158	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"3M+2K"	77.926316
"1078985"	441.152158	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2K"	77.926316
"1108546"	883.311592	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2K+H"	78.933592
"1347486"	883.399207	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+DMSO+H"	79.021207
"1018204"	887.438376	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2ACN+H"	83.060376
"1537787"	888.432008	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+IsoProp+Na+H"	84.054008
"1002050"	444.222826	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+2ACN+2H"	84.067652
"1598009"	889.346628	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+K+HCOOH"	84.968628
"1429386"	919.378138	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+H+CF3COOH"	115.000138
"1161980"	464.736101	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+3ACN+2H"	125.094202
"1711896"	936.404685	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+NH4+CF3COOH"	132.026685
"1647907"	941.36008	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+Na+CF3COOH"	136.98208
"1585745"	957.33402	"C09189"	"Stevioside"	"C38H60O18"	"804.378"	"M+K+CF3COOH"	152.95602
"808454"	346.1416	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M"	0
"986363"	327.12321	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"72418"	229.753790666667	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"513073"	345.134324	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"887594"	114.373257333333	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"10545"	345.134324	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"450104"	518.205124	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"824625"	172.063524	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"86804"	691.275924	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"526363"	1037.417524	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"905988"	345.134324	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"54167"	708.302471	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"492633"	1054.444071	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"873354"	362.160871	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"41984"	713.257866	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"480086"	1059.399466	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"856795"	367.116266	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1628515"	367.116266	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"100672"	363.122663	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"540233"	536.193463	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"935935"	190.051863	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"273399"	727.252602	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"660390"	1073.394202	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1281505"	381.111002	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"19687"	729.231806	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"461436"	1075.373406	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"833191"	383.090206	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1555918"	383.090206	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"944044"	391.139794	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"369920"	737.281401	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"354896"	751.297051	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1493275"	405.155451	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"961428"	413.121751	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"110221"	381.111002	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"550214"	554.181802	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1023801"	208.040202	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1252496"	425.060485	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1311662"	427.116472	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1332813"	449.098429	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"921318"	459.127186	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1298026"	495.103864	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1375093"	311.128924	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1388217"	329.1389	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"288995"	693.290476	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"676313"	1039.432076	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1352298"	347.148876	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"129563"	347.148876	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"567054"	520.219676	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1037920"	174.078076	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"205091"	231.768342666667	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"644893"	347.148876	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1167884"	116.387809333333	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"427874"	710.317023	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"788868"	1056.458623	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1684105"	364.175423	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"333478"	355.6621495	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"725897"	528.7329495	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1477901"	182.5913495	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"396211"	715.272418	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"755265"	1061.414018	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1606401"	369.130818	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"319716"	358.139847	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"710320"	531.210647	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1465963"	185.069047	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1053492"	123.715123333333	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1259792"	379.175086	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"382745"	731.246358	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"745930"	1077.387958	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1551263"	385.104758	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"300786"	366.126817	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"694301"	539.197617	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1452501"	193.056017	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"243288"	734.317026	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1219280"	388.175426	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1207542"	194.591351	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"204040"	737.25436	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"643751"	1083.39596	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1145791"	391.11276	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"187015"	369.130818	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"625966"	542.201618	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1127647"	196.060018	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1413240"	131.042437333333	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1441098"	393.154346	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"228605"	374.16384	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1518861"	407.20639	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"421831"	377.117788	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"785393"	550.188588	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1680383"	204.046988	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"265445"	756.298968	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1241136"	410.157368	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1727650"	410.180893	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1192999"	138.369751333333	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1662893"	415.136288	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"170484"	769.20224	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"609321"	1115.34384	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1095285"	423.06064	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"151012"	385.104758	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"594220"	558.175558	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1080916"	212.033958	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1110478"	425.075192	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1349055"	425.162807	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1019406"	429.201976	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1537896"	430.195608	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"1004711"	215.104626	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1600305"	431.110228	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1428160"	461.141738	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1162092"	235.617901	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1712680"	478.168285	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1648747"	483.12368	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1585855"	499.09762	"C09190"	"Strigol"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"806378"	312.2202	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M"	0
"983193"	293.20181	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-H2O-H"	-19.01839
"69248"	207.139524	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M-3H"	-3.021828
"513183"	311.212924	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M-3H"	-3.021828
"887704"	103.066124	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-3H"	-3.021828
"11749"	311.212924	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M-2H"	-2.014552
"450214"	467.323024	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M-2H"	-2.014552
"823642"	155.102824	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-2H"	-2.014552
"83634"	623.433124	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M-H"	-1.007276
"519912"	935.653324	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M-H"	-1.007276
"903912"	311.212924	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-H"	-1.007276
"50995"	640.459671	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M-2H+NH4"	16.019271
"488368"	952.679871	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M-2H+NH4"	16.019271
"868360"	328.239471	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-2H+NH4"	16.019271
"34074"	645.415066	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M-2H+Na"	20.974666
"476916"	957.635266	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M-2H+Na"	20.974666
"855811"	333.194866	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-2H+Na"	20.974666
"1628625"	333.194866	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Na-2H"	20.974666
"100782"	329.201263	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M-H+Cl"	33.962126
"535240"	485.311363	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M-H+Cl"	33.962126
"929118"	173.091163	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-H+Cl"	33.962126
"268769"	659.409802	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+Cl"	34.969402
"660128"	971.630002	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+Cl"	34.969402
"1274689"	347.189602	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Cl"	34.969402
"15745"	661.389006	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M-2H+K"	36.948606
"455720"	973.609206	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M-2H+K"	36.948606
"833180"	349.168806	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-2H+K"	36.948606
"1555645"	349.168806	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+K-2H"	36.948606
"943012"	357.218394	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-H+HCOOH"	44.998194
"362128"	669.438601	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+HCOOH-H"	44.998201
"350632"	683.454251	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+Hac-H"	59.013851
"1493745"	371.234051	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Hac-H"	59.013851
"960445"	379.200351	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-H+NaCOOH"	66.980151
"110154"	347.189602	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+2Cl"	69.938804
"550134"	503.299702	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+2Cl"	69.938804
"1023911"	191.079502	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2Cl"	69.938804
"1252606"	391.139085	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Br"	78.918885
"1310679"	393.195072	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Cl+HCOOH"	80.974872
"1335474"	415.177029	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Cl+NaCOOH"	102.956829
"921428"	425.205786	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M-H+CF3COOH"	112.985586
"1297042"	461.182464	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Cl+CF3COOH"	148.962264
"1376296"	277.207524	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H-2H2O"	-35.012676
"1390513"	295.2175	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H-H2O"	-17.0027
"288012"	625.447676	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+H"	1.007276
"677879"	937.667876	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+H"	1.007276
"1353501"	313.227476	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H"	1.007276
"129673"	313.227476	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+2H"	2.014552
"566192"	469.337576	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+2H"	2.014552
"1038030"	157.117376	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2H"	2.014552
"205201"	209.154076	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+3H"	3.021828
"644636"	313.227476	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+3H"	3.021828
"1171273"	105.080676	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+3H"	3.021828
"427984"	642.474223	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+NH4"	18.033823
"788978"	954.694423	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+NH4"	18.033823
"1683122"	330.254023	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+NH4"	18.033823
"334681"	321.7407495	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+H+NH4"	19.041099
"724914"	477.8508495	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+H+NH4"	19.041099
"1479833"	165.6306495	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H+NH4"	19.041099
"395228"	647.429618	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+Na"	22.989218
"756589"	959.649818	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+Na"	22.989218
"1605418"	335.209418	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Na"	22.989218
"318733"	324.218447	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+H+Na"	23.996494
"709701"	480.328547	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+H+Na"	23.996494
"1465344"	168.108347	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H+Na"	23.996494
"1053238"	112.40799	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2H+Na"	25.00377
"1257592"	345.253686	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+CH3OH+H"	33.033486
"378843"	663.403558	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+K"	38.963158
"742028"	975.623758	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+K"	38.963158
"1540435"	351.183358	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+K"	38.963158
"298944"	332.205417	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+H+K"	39.970434
"691375"	488.315517	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+H+K"	39.970434
"1450422"	176.095317	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H+K"	39.970434
"241211"	666.474226	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+ACN+H"	42.033826
"1218297"	354.254026	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+ACN+H"	42.033826
"1207285"	177.630651	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+ACN+2H"	43.041102
"204138"	669.41156	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+2Na-H"	44.97116
"643899"	981.63176	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+2Na-H"	44.97116
"1145050"	357.19136	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2Na-H"	44.97116
"185787"	335.209418	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+2Na"	45.978436
"623158"	491.319518	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+2Na"	45.978436
"1127757"	179.099318	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2Na"	45.978436
"1412498"	119.735304	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H+2Na"	46.985712
"1441208"	359.232946	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H+HCOOH"	47.012746
"227622"	340.24244	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+3H2O+2H"	56.04448
"1516782"	373.28499	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+IsoProp+H"	61.06479
"415374"	343.196388	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+Na+K"	61.952376
"784651"	499.306488	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+Na+K"	61.952376
"1680859"	187.086288	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Na+K"	61.952376
"266283"	688.456168	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+ACN+Na"	64.015768
"1240698"	376.235968	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+ACN+Na"	64.015768
"1727393"	376.259493	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+NH4+HCOOH"	64.039293
"1192747"	127.062618	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+3Na"	68.967654
"1663002"	381.214888	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Na+HCOOH"	68.994688
"169864"	701.35944	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+2K-H"	76.91904
"610523"	1013.57964	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+2K-H"	76.91904
"1092480"	389.13924	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2K-H"	76.91904
"152215"	351.183358	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"2M+2K"	77.926316
"592142"	507.293458	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"3M+2K"	77.926316
"1081754"	195.073258	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2K"	77.926316
"1110224"	391.153792	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2K+H"	78.933592
"1350258"	391.241407	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+DMSO+H"	79.021207
"1020244"	395.280576	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2ACN+H"	83.060376
"1538370"	396.274208	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+IsoProp+Na+H"	84.054008
"1004456"	198.143926	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+2ACN+2H"	84.067652
"1601508"	397.188828	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+K+HCOOH"	84.968628
"1427540"	427.220338	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+H+CF3COOH"	115.000138
"1161472"	218.657201	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+3ACN+2H"	125.094202
"1712115"	444.246885	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+NH4+CF3COOH"	132.026685
"1648857"	449.20228	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+Na+CF3COOH"	136.98208
"1585965"	465.17622	"C09191"	"Fruticosonine"	"C20H28N2O"	"312.2202"	"M+K+CF3COOH"	152.95602
"806488"	614.3819	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M"	0
"976742"	595.36351	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-H2O-H"	-19.01839
"66078"	408.580657333333	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M-3H"	-3.021828
"513293"	613.374624	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M-3H"	-3.021828
"887814"	203.786690666667	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-3H"	-3.021828
"10765"	613.374624	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M-2H"	-2.014552
"450324"	920.565574	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M-2H"	-2.014552
"823752"	306.183674	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-2H"	-2.014552
"85930"	1227.756524	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M-H"	-1.007276
"520143"	1842.138424	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M-H"	-1.007276
"906208"	613.374624	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-H"	-1.007276
"51105"	1244.783071	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M-2H+NH4"	16.019271
"488478"	1859.164971	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M-2H+NH4"	16.019271
"869563"	630.401171	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-2H+NH4"	16.019271
"36370"	1249.738466	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M-2H+Na"	20.974666
"477026"	1864.120366	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M-2H+Na"	20.974666
"854828"	635.356566	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-2H+Na"	20.974666
"1628735"	635.356566	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Na-2H"	20.974666
"99799"	631.362963	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M-H+Cl"	33.962126
"534487"	938.553913	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M-H+Cl"	33.962126
"927081"	324.172013	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-H+Cl"	33.962126
"270702"	1263.733202	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+Cl"	34.969402
"660811"	1878.115102	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+Cl"	34.969402
"1273701"	649.351302	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Cl"	34.969402
"16495"	1265.712406	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M-2H+K"	36.948606
"455737"	1880.094306	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M-2H+K"	36.948606
"833495"	651.330506	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-2H+K"	36.948606
"1556130"	651.330506	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+K-2H"	36.948606
"943286"	659.380094	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-H+HCOOH"	44.998194
"363209"	1273.762001	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+HCOOH-H"	44.998201
"346363"	1287.777651	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+Hac-H"	59.013851
"1495556"	673.395751	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Hac-H"	59.013851
"960189"	681.362051	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-H+NaCOOH"	66.980151
"110918"	649.351302	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+2Cl"	69.938804
"550231"	956.542252	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+2Cl"	69.938804
"1024385"	342.160352	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2Cl"	69.938804
"1252352"	693.300785	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Br"	78.918885
"1309697"	695.356772	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Cl+HCOOH"	80.974872
"1335463"	717.338729	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Cl+NaCOOH"	102.956829
"921538"	727.367486	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M-H+CF3COOH"	112.985586
"1296059"	763.344164	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Cl+CF3COOH"	148.962264
"1377499"	579.369224	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H-2H2O"	-35.012676
"1393903"	597.3792	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H-H2O"	-17.0027
"285935"	1229.771076	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+H"	1.007276
"678354"	1844.152976	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+H"	1.007276
"1352638"	615.389176	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H"	1.007276
"129783"	615.389176	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+2H"	2.014552
"565852"	922.580126	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+2H"	2.014552
"1038016"	308.198226	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2H"	2.014552
"206283"	410.595209333333	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+3H"	3.021828
"644625"	615.389176	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+3H"	3.021828
"1171383"	205.801242666667	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+3H"	3.021828
"428094"	1246.797623	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+NH4"	18.033823
"787995"	1861.179523	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+NH4"	18.033823
"1684326"	632.415723	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+NH4"	18.033823
"333698"	623.9024495	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+H+NH4"	19.041099
"726119"	931.0933995	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+H+NH4"	19.041099
"1478847"	316.7114995	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H+NH4"	19.041099
"393634"	1251.753018	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+Na"	22.989218
"755241"	1866.134918	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+Na"	22.989218
"1607714"	637.371118	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Na"	22.989218
"318843"	626.380147	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+H+Na"	23.996494
"710540"	933.571097	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+H+Na"	23.996494
"1465818"	319.189197	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H+Na"	23.996494
"1054443"	213.128556666667	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2H+Na"	25.00377
"1262201"	647.415386	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+CH3OH+H"	33.033486
"381871"	1267.726958	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+K"	38.963158
"743961"	1882.108858	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+K"	38.963158
"1540545"	653.345058	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+K"	38.963158
"299783"	634.367117	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+H+K"	39.970434
"691436"	941.558067	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+H+K"	39.970434
"1451625"	327.176167	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H+K"	39.970434
"240226"	1270.797626	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+ACN+H"	42.033826
"1219500"	656.415726	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+ACN+H"	42.033826
"1208249"	328.711501	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+ACN+2H"	43.041102
"203919"	1273.73496	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+2Na-H"	44.97116
"643602"	1888.11686	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+2Na-H"	44.97116
"1144797"	659.35306	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2Na-H"	44.97116
"185168"	637.371118	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+2Na"	45.978436
"625700"	944.562068	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+2Na"	45.978436
"1130059"	330.180168	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2Na"	45.978436
"1407018"	220.455870666667	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H+2Na"	46.985712
"1442050"	661.394646	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H+HCOOH"	47.012746
"233202"	642.40414	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+3H2O+2H"	56.04448
"1516895"	675.44669	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+IsoProp+H"	61.06479
"414392"	645.358088	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+Na+K"	61.952376
"784157"	952.549038	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+Na+K"	61.952376
"1680001"	338.167138	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Na+K"	61.952376
"266033"	1292.779568	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+ACN+Na"	64.015768
"1239718"	678.397668	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+ACN+Na"	64.015768
"1727140"	678.421193	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+NH4+HCOOH"	64.039293
"1192858"	227.783184666667	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+3Na"	68.967654
"1663113"	683.376588	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Na+HCOOH"	68.994688
"170339"	1305.68284	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+2K-H"	76.91904
"605523"	1920.06474	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+2K-H"	76.91904
"1096598"	691.30094	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2K-H"	76.91904
"152321"	653.345058	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"2M+2K"	77.926316
"594073"	960.536008	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"3M+2K"	77.926316
"1078949"	346.154108	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2K"	77.926316
"1111427"	693.315492	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2K+H"	78.933592
"1344531"	693.403107	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+DMSO+H"	79.021207
"1016707"	697.442276	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2ACN+H"	83.060376
"1537020"	698.435908	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+IsoProp+Na+H"	84.054008
"1002742"	349.224776	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+2ACN+2H"	84.067652
"1600525"	699.350528	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+K+HCOOH"	84.968628
"1428743"	729.382038	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+H+CF3COOH"	115.000138
"1161943"	369.738051	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+3ACN+2H"	125.094202
"1712224"	746.408585	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+NH4+CF3COOH"	132.026685
"1647145"	751.36398	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+Na+CF3COOH"	136.98208
"1586075"	767.33792	"C09192"	"Synaptolepis factor K1"	"C36H54O8"	"614.3819"	"M+K+CF3COOH"	152.95602
"806598"	690.3781	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M"	0
"980132"	671.35971	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-H2O-H"	-19.01839
"72748"	459.244790666667	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M-3H"	-3.021828
"514497"	689.370824	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M-3H"	-3.021828
"891204"	229.118757333333	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-3H"	-3.021828
"13062"	689.370824	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M-2H"	-2.014552
"449341"	1034.559874	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M-2H"	-2.014552
"826048"	344.181774	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-2H"	-2.014552
"84947"	1379.748924	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M-H"	-1.007276
"520253"	2070.127024	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M-H"	-1.007276
"906318"	689.370824	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-H"	-1.007276
"51215"	1396.775471	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M-2H+NH4"	16.019271
"488951"	2087.153571	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M-2H+NH4"	16.019271
"869673"	706.397371	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-2H+NH4"	16.019271
"36480"	1401.730866	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M-2H+Na"	20.974666
"477136"	2092.108966	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M-2H+Na"	20.974666
"852751"	711.352766	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-2H+Na"	20.974666
"1625565"	711.352766	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Na-2H"	20.974666
"105377"	707.359163	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M-H+Cl"	33.962126
"536554"	1052.548213	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M-H+Cl"	33.962126
"932985"	362.170113	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-H+Cl"	33.962126
"271543"	1415.725602	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+Cl"	34.969402
"662503"	2106.103702	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+Cl"	34.969402
"1276001"	725.347502	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Cl"	34.969402
"16441"	1417.704806	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M-2H+K"	36.948606
"455966"	2108.082906	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M-2H+K"	36.948606
"833604"	727.326706	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-2H+K"	36.948606
"1557212"	727.326706	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+K-2H"	36.948606
"943884"	735.376294	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-H+HCOOH"	44.998194
"363686"	1425.754401	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+HCOOH-H"	44.998201
"347565"	1439.770051	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+Hac-H"	59.013851
"1494210"	749.391951	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Hac-H"	59.013851
"963947"	757.358251	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-H+NaCOOH"	66.980151
"111271"	725.347502	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+2Cl"	69.938804
"550465"	1070.536552	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+2Cl"	69.938804
"1025226"	380.158452	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2Cl"	69.938804
"1250640"	769.296985	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Br"	78.918885
"1306524"	771.352972	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Cl+HCOOH"	80.974872
"1333871"	793.334929	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Cl+NaCOOH"	102.956829
"919460"	803.363686	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M-H+CF3COOH"	112.985586
"1296169"	839.340364	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Cl+CF3COOH"	148.962264
"1374329"	655.365424	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H-2H2O"	-35.012676
"1394013"	673.3754	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H-H2O"	-17.0027
"286045"	1381.763476	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+H"	1.007276
"679557"	2072.141576	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+H"	1.007276
"1353352"	691.385376	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H"	1.007276
"132079"	691.385376	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+2H"	2.014552
"565841"	1036.574426	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+2H"	2.014552
"1037399"	346.196326	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2H"	2.014552
"206151"	461.259342666667	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+3H"	3.021828
"645102"	691.385376	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+3H"	3.021828
"1170400"	231.133309333333	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+3H"	3.021828
"428204"	1398.790023	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+NH4"	18.033823
"791388"	2089.168123	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+NH4"	18.033823
"1685530"	708.411923	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+NH4"	18.033823
"333809"	699.8986495	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+H+NH4"	19.041099
"726230"	1045.0876995	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+H+NH4"	19.041099
"1478957"	354.7095995	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H+NH4"	19.041099
"393138"	1403.745418	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+Na"	22.989218
"755593"	2094.123518	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+Na"	22.989218
"1607095"	713.367318	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Na"	22.989218
"318226"	702.376347	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+H+Na"	23.996494
"709922"	1047.565397	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+H+Na"	23.996494
"1466293"	357.187297	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H+Na"	23.996494
"1054553"	238.460623333333	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2H+Na"	25.00377
"1262311"	723.411586	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+CH3OH+H"	33.033486
"381982"	1419.719358	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+K"	38.963158
"747353"	2110.097458	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+K"	38.963158
"1543940"	729.341258	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+K"	38.963158
"301116"	710.363317	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+H+K"	39.970434
"697912"	1055.552367	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+H+K"	39.970434
"1449549"	365.174267	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H+K"	39.970434
"240336"	1422.790026	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+ACN+H"	42.033826
"1224111"	732.411926	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+ACN+H"	42.033826
"1207996"	366.709601	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+ACN+2H"	43.041102
"203908"	1425.72736	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+2Na-H"	44.97116
"643225"	2116.10546	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+2Na-H"	44.97116
"1145880"	735.34926	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2Na-H"	44.97116
"185158"	713.367318	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+2Na"	45.978436
"623381"	1058.556368	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+2Na"	45.978436
"1127250"	368.178268	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2Na"	45.978436
"1407858"	245.787937333333	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H+2Na"	46.985712
"1444479"	737.390846	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H+HCOOH"	47.012746
"234286"	718.40034	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+3H2O+2H"	56.04448
"1519192"	751.44289	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+IsoProp+H"	61.06479
"413409"	721.354288	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+Na+K"	61.952376
"784146"	1066.543338	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+Na+K"	61.952376
"1680350"	376.165238	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Na+K"	61.952376
"265536"	1444.771968	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+ACN+Na"	64.015768
"1240436"	754.393868	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+ACN+Na"	64.015768
"1726520"	754.417393	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+NH4+HCOOH"	64.039293
"1192239"	253.115251333333	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+3Na"	68.967654
"1663222"	759.372788	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Na+HCOOH"	68.994688
"168992"	1457.67524	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+2K-H"	76.91904
"608549"	2148.05334	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+2K-H"	76.91904
"1094886"	767.29714	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2K-H"	76.91904
"153525"	729.341258	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"2M+2K"	77.926316
"594182"	1074.530308	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"3M+2K"	77.926316
"1081974"	384.152208	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2K"	77.926316
"1112266"	769.311692	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2K+H"	78.933592
"1345005"	769.399307	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+DMSO+H"	79.021207
"1017910"	773.438476	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2ACN+H"	83.060376
"1536034"	774.432108	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+IsoProp+Na+H"	84.054008
"1001755"	387.222876	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+2ACN+2H"	84.067652
"1599539"	775.346728	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+K+HCOOH"	84.968628
"1429341"	805.378238	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+H+CF3COOH"	115.000138
"1162745"	407.736151	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+3ACN+2H"	125.094202
"1711116"	822.404785	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+NH4+CF3COOH"	132.026685
"1649438"	827.36018	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+Na+CF3COOH"	136.98208
"1586185"	843.33412	"C09193"	"Gabunamine"	"C42H50N4O5"	"690.3781"	"M+K+CF3COOH"	152.95602
"806708"	314.1882	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M"	0
"980242"	295.16981	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"72858"	208.451524	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"514607"	313.180924	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"891314"	103.722124	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"12808"	313.180924	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"451275"	470.275024	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"826159"	156.086824	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"82869"	627.369124	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"522430"	941.557324	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"903513"	313.180924	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"50232"	644.395671	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"491980"	958.583871	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"874158"	330.207471	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"35497"	649.351066	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"477246"	963.539266	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"849944"	335.162866	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1619357"	335.162866	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"98927"	331.169263	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"542862"	488.263363	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"935282"	174.075163	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"272747"	663.345802	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"664075"	977.534002	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1278663"	349.157602	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"16718"	665.325006	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"456638"	979.513206	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"834079"	351.136806	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1558055"	351.136806	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"945574"	359.186394	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"362701"	673.374601	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"347675"	687.390251	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1494684"	373.202051	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"964057"	381.168351	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"111258"	349.157602	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"552888"	506.251702	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1024608"	192.063502	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1249657"	393.107085	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1308822"	395.163072	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1334591"	417.145029	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"922851"	427.173786	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1298466"	463.150464	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1377718"	279.175524	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1393030"	297.1855	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"288342"	629.383676	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"682948"	943.571876	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1352735"	315.195476	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"127814"	315.195476	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"567374"	472.289576	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1038360"	158.101376	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"205161"	210.466076	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"646910"	315.195476	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1168324"	105.736676	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"424666"	646.410223	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"788215"	960.598423	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1685640"	332.222023	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"335011"	323.7087495	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"728526"	480.8028495	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1479431"	166.6146495	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"393490"	651.365618	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"756918"	965.553818	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1609027"	337.177418	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"318698"	326.186447	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"712580"	483.280547	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1466401"	169.092347	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1053811"	113.06399	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1260233"	347.221686	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"382092"	667.339558	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"746369"	981.527758	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1548424"	353.151358	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"301226"	334.173417	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"701302"	491.267517	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1449659"	177.079317	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"240446"	670.410226	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1213155"	356.222026	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1207249"	178.614651	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"201946"	673.34756	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"643588"	987.53576	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1145381"	359.15936	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"186483"	337.177418	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"625678"	494.271518	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1127360"	180.083318	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1412221"	120.391304	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1444953"	361.200946	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"230140"	342.21044	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1519302"	375.25299	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"416799"	345.164388	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"784614"	502.258488	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1679488"	188.070288	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"266008"	692.392168	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1240546"	378.203968	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1725173"	378.227493	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1191256"	127.718618	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1660785"	383.182888	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"165459"	705.29544	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"608297"	1019.48364	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1096089"	391.10724	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"151813"	353.151358	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"593200"	510.245458	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1080262"	196.057258	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1110918"	393.121792	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1344385"	393.209407	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1016197"	397.248576	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1534322"	398.242208	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"998585"	199.127926	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1599649"	399.156828	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1428963"	429.188338	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1159975"	219.641201	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1709524"	446.214885	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1649427"	451.17028	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1586295"	467.14422	"C09194"	"Taxodione"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"806818"	690.3781	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M"	0
"980352"	671.35971	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-H2O-H"	-19.01839
"69688"	459.244790666667	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M-3H"	-3.021828
"512530"	689.370824	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M-3H"	-3.021828
"888144"	229.118757333333	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-3H"	-3.021828
"10731"	689.370824	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M-2H"	-2.014552
"452478"	1034.559874	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M-2H"	-2.014552
"828457"	344.181774	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-2H"	-2.014552
"85168"	1379.748924	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M-H"	-1.007276
"526915"	2070.127024	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M-H"	-1.007276
"903622"	689.370824	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-H"	-1.007276
"53623"	1396.775471	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M-2H+NH4"	16.019271
"487833"	2087.153571	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M-2H+NH4"	16.019271
"864904"	706.397371	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-2H+NH4"	16.019271
"35607"	1401.730866	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M-2H+Na"	20.974666
"475168"	2092.108966	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M-2H+Na"	20.974666
"850173"	711.352766	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-2H+Na"	20.974666
"1619097"	711.352766	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Na-2H"	20.974666
"97944"	707.359163	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M-H+Cl"	33.962126
"541879"	1052.548213	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M-H+Cl"	33.962126
"934299"	362.170113	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-H+Cl"	33.962126
"271764"	1415.725602	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+Cl"	34.969402
"664549"	2106.103702	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+Cl"	34.969402
"1277680"	725.347502	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Cl"	34.969402
"18411"	1417.704806	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M-2H+K"	36.948606
"460157"	2108.082906	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M-2H+K"	36.948606
"833950"	727.326706	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-2H+K"	36.948606
"1557438"	727.326706	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+K-2H"	36.948606
"944595"	735.376294	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-H+HCOOH"	44.998194
"362446"	1425.754401	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+HCOOH-H"	44.998201
"347056"	1439.770051	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+Hac-H"	59.013851
"1493940"	749.391951	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Hac-H"	59.013851
"961247"	757.358251	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-H+NaCOOH"	66.980151
"111977"	725.347502	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+2Cl"	69.938804
"552268"	1070.536552	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+2Cl"	69.938804
"1026905"	380.158452	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2Cl"	69.938804
"1249767"	769.296985	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Br"	78.918885
"1310027"	771.352972	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Cl+HCOOH"	80.974872
"1325339"	793.334929	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Cl+NaCOOH"	102.956829
"924054"	803.363686	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M-H+CF3COOH"	112.985586
"1301492"	839.340364	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Cl+CF3COOH"	148.962264
"1376736"	655.365424	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H-2H2O"	-35.012676
"1392047"	673.3754	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H-H2O"	-17.0027
"288452"	1381.763476	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+H"	1.007276
"680872"	2072.141576	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+H"	1.007276
"1359407"	691.385376	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H"	1.007276
"127924"	691.385376	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+2H"	2.014552
"567485"	1036.574426	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+2H"	2.014552
"1039563"	346.196326	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2H"	2.014552
"205882"	461.259342666667	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+3H"	3.021828
"648113"	691.385376	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+3H"	3.021828
"1167340"	231.133309333333	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+3H"	3.021828
"424655"	1398.790023	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+NH4"	18.033823
"787232"	2089.168123	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+NH4"	18.033823
"1683564"	708.411923	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+NH4"	18.033823
"334028"	699.8986495	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+H+NH4"	19.041099
"724016"	1045.0876995	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+H+NH4"	19.041099
"1480270"	354.7095995	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H+NH4"	19.041099
"393032"	1403.745418	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+Na"	22.989218
"755571"	2094.123518	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+Na"	22.989218
"1609137"	713.367318	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Na"	22.989218
"318080"	702.376347	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+H+Na"	23.996494
"713783"	1047.565397	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+H+Na"	23.996494
"1469791"	357.187297	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H+Na"	23.996494
"1055744"	238.460623333333	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2H+Na"	25.00377
"1260343"	723.411586	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+CH3OH+H"	33.033486
"382202"	1419.719358	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+K"	38.963158
"744293"	2110.097458	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+K"	38.963158
"1547441"	729.341258	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+K"	38.963158
"298783"	710.363317	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+H+K"	39.970434
"699226"	1055.552367	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+H+K"	39.970434
"1446608"	365.174267	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H+K"	39.970434
"236184"	1422.790026	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+ACN+H"	42.033826
"1210349"	732.411926	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+ACN+H"	42.033826
"1206993"	366.709601	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+ACN+2H"	43.041102
"200959"	1425.72736	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+2Na-H"	44.97116
"640160"	2116.10546	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+2Na-H"	44.97116
"1145856"	735.34926	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2Na-H"	44.97116
"186594"	713.367318	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+2Na"	45.978436
"620321"	1058.556368	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+2Na"	45.978436
"1120546"	368.178268	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2Na"	45.978436
"1406254"	245.787937333333	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H+2Na"	46.985712
"1439463"	737.390846	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H+HCOOH"	47.012746
"230250"	718.40034	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+3H2O+2H"	56.04448
"1519413"	751.44289	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+IsoProp+H"	61.06479
"416911"	721.354288	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+Na+K"	61.952376
"785212"	1066.543338	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+Na+K"	61.952376
"1679962"	376.165238	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Na+K"	61.952376
"265143"	1444.771968	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+ACN+Na"	64.015768
"1240776"	754.393868	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+ACN+Na"	64.015768
"1726740"	754.417393	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+NH4+HCOOH"	64.039293
"1191001"	253.115251333333	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+3Na"	68.967654
"1660894"	759.372788	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Na+HCOOH"	68.994688
"167755"	1457.67524	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+2K-H"	76.91904
"607314"	2148.05334	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+2K-H"	76.91904
"1094013"	767.29714	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2K-H"	76.91904
"153016"	729.341258	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"2M+2K"	77.926316
"593674"	1074.530308	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"3M+2K"	77.926316
"1079279"	384.152208	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2K"	77.926316
"1110299"	769.311692	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2K+H"	78.933592
"1343402"	769.399307	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+DMSO+H"	79.021207
"1016307"	773.438476	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2ACN+H"	83.060376
"1533339"	774.432108	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+IsoProp+Na+H"	84.054008
"998695"	387.222876	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+2ACN+2H"	84.067652
"1600489"	775.346728	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+K+HCOOH"	84.968628
"1428706"	805.378238	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+H+CF3COOH"	115.000138
"1160083"	407.736151	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+3ACN+2H"	125.094202
"1710363"	822.404785	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+NH4+CF3COOH"	132.026685
"1648565"	827.36018	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+Na+CF3COOH"	136.98208
"1586405"	843.33412	"C09195"	"Gabunine"	"C42H50N4O5"	"690.3781"	"M+K+CF3COOH"	152.95602
"810209"	316.2038	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M"	0
"982649"	297.18541	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"69798"	209.795257333333	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"515557"	315.196524	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"888254"	104.393990666667	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"13392"	315.196524	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"452224"	473.298424	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"830390"	157.094624	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"88557"	631.400324	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"525933"	947.604124	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"901545"	315.196524	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"51546"	648.426871	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"487457"	964.630671	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"864458"	332.223071	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"34624"	653.382266	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"471589"	969.586066	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"850526"	337.178466	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1619087"	337.178466	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"102427"	333.184863	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"535911"	491.286763	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"933313"	175.082963	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"269685"	667.377002	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"665388"	983.580802	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1276694"	351.173202	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"20344"	669.356206	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"455848"	985.560006	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"834058"	353.152406	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1555847"	353.152406	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"944705"	361.201994	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"362192"	677.405801	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"346802"	691.421451	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1493445"	375.217651	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"960993"	383.183951	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"112088"	351.173202	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"552378"	509.275102	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1022636"	193.071302	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1246595"	395.122685	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1307948"	397.178672	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1326544"	419.160629	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"927054"	429.189386	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1303060"	465.166064	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1381220"	281.191124	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1393250"	299.2011	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"291844"	633.414876	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"680983"	949.618676	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1357332"	317.211076	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"129127"	317.211076	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"569781"	475.312976	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1041860"	159.109176	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"206479"	211.809809333333	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"645311"	317.211076	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1168544"	106.408542666667	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"427440"	650.441423	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"789529"	966.645223	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1685860"	334.237623	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"334138"	325.7243495	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"724371"	483.8262495	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1483661"	167.6224495	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"393102"	655.396818	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"756774"	971.600618	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1609247"	339.193018	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"318190"	328.202047	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"713893"	486.303947	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1472087"	170.100147	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1055854"	113.735856666667	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1263003"	349.237286	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"381218"	671.370758	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"745496"	987.574558	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1547550"	355.166958	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"300716"	336.189017	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"696056"	494.290917	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1448054"	178.087117	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"239573"	674.441426	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1215561"	358.237626	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1206010"	179.622451	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"200705"	677.37876	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"643188"	993.58256	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1146928"	361.17496	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"188162"	339.193018	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"621524"	497.294918	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1128675"	181.091118	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1403084"	121.063170666667	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1439573"	363.216546	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"230360"	344.22604	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1520252"	377.26859	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"417021"	347.179988	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"785317"	505.281888	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1681173"	189.078088	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"266792"	696.423368	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1241190"	380.219568	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1726484"	380.243093	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1192200"	128.390484666667	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1662823"	385.198488	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"169320"	709.32664	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"605238"	1025.53044	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1094123"	393.12284	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"153129"	355.166958	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"596095"	513.268858	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1082305"	197.065058	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1109316"	395.137392	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1345702"	395.225007	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1014231"	399.264176	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1535637"	400.257808	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"998805"	200.135726	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1601573"	401.172428	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1429549"	431.203938	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1161288"	220.649001	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1712710"	448.230485	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1649612"	453.18588	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1586515"	469.15982	"C09196"	"Taxodone;611-Dihydroxyabieta-79(11)13-trien-12-one"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"810319"	298.2045	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M"	0
"980572"	279.18611	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-H2O-H"	-19.01839
"69908"	197.795724	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M-3H"	-3.021828
"515667"	297.197224	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M-3H"	-3.021828
"886177"	98.394224	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-3H"	-3.021828
"9128"	297.197224	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M-2H"	-2.014552
"451605"	446.299474	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M-2H"	-2.014552
"825397"	148.094974	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-2H"	-2.014552
"85386"	595.401724	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M-H"	-1.007276
"518783"	893.606224	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M-H"	-1.007276
"896057"	297.197224	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-H"	-1.007276
"47309"	612.428271	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M-2H+NH4"	16.019271
"487314"	910.632771	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M-2H+NH4"	16.019271
"865118"	314.223771	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-2H+NH4"	16.019271
"31431"	617.383666	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M-2H+Na"	20.974666
"471467"	915.588166	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M-2H+Na"	20.974666
"848628"	319.179166	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-2H+Na"	20.974666
"1619805"	319.179166	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Na-2H"	20.974666
"102537"	315.185563	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M-H+Cl"	33.962126
"536632"	464.287813	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M-H+Cl"	33.962126
"930509"	166.083313	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-H+Cl"	33.962126
"275264"	631.378402	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+Cl"	34.969402
"664406"	929.582902	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+Cl"	34.969402
"1276804"	333.173902	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Cl"	34.969402
"19726"	633.357606	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M-2H+K"	36.948606
"456974"	931.562106	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M-2H+K"	36.948606
"832811"	335.153106	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-2H+K"	36.948606
"1555868"	335.153106	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+K-2H"	36.948606
"942796"	343.202694	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-H+HCOOH"	44.998194
"361773"	641.407201	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+HCOOH-H"	44.998201
"345729"	655.422851	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+Hac-H"	59.013851
"1492744"	357.218351	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Hac-H"	59.013851
"960375"	365.184651	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-H+NaCOOH"	66.980151
"112198"	333.173902	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+2Cl"	69.938804
"552488"	482.276152	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+2Cl"	69.938804
"1022746"	184.071652	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2Cl"	69.938804
"1244151"	377.123385	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Br"	78.918885
"1305498"	379.179372	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Cl+HCOOH"	80.974872
"1327747"	401.161329	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Cl+NaCOOH"	102.956829
"925372"	411.190086	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M-H+CF3COOH"	112.985586
"1298796"	447.166764	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Cl+CF3COOH"	148.962264
"1375863"	263.191824	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H-2H2O"	-35.012676
"1391173"	281.2018	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H-H2O"	-17.0027
"284298"	597.416276	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+H"	1.007276
"678906"	895.620776	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+H"	1.007276
"1354161"	299.211776	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H"	1.007276
"129236"	299.211776	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+2H"	2.014552
"568796"	448.314026	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+2H"	2.014552
"1038321"	150.109526	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2H"	2.014552
"204641"	199.810276	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+3H"	3.021828
"644564"	299.211776	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+3H"	3.021828
"1168654"	100.408776	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+3H"	3.021828
"428643"	614.442823	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+NH4"	18.033823
"790732"	912.647323	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+NH4"	18.033823
"1685970"	316.238323	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+NH4"	18.033823
"333154"	307.7250495	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+H+NH4"	19.041099
"724602"	456.8272995	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+H+NH4"	19.041099
"1483771"	158.6227995	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H+NH4"	19.041099
"393009"	619.398218	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+Na"	22.989218
"756155"	917.602718	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+Na"	22.989218
"1608264"	321.193718	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Na"	22.989218
"317206"	310.202747	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+H+Na"	23.996494
"714003"	459.304997	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+H+Na"	23.996494
"1465636"	161.100497	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H+Na"	23.996494
"1054871"	107.73609	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2H+Na"	25.00377
"1260560"	331.237986	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+CH3OH+H"	33.033486
"382419"	635.372158	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+K"	38.963158
"740138"	933.576658	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+K"	38.963158
"1547660"	337.167658	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+K"	38.963158
"299369"	318.189717	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+H+K"	39.970434
"693979"	467.291967	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+H+K"	39.970434
"1446707"	169.087467	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H+K"	39.970434
"241869"	638.442826	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+ACN+H"	42.033826
"1214578"	340.238326	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+ACN+H"	42.033826
"1201745"	170.622801	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+ACN+2H"	43.041102
"195709"	641.38016	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+2Na-H"	44.97116
"642934"	939.58466	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+2Na-H"	44.97116
"1144982"	343.17566	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2Na-H"	44.97116
"184990"	321.193718	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+2Na"	45.978436
"624186"	470.295968	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+2Na"	45.978436
"1124046"	172.091468	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2Na"	45.978436
"1403194"	115.063404	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H+2Na"	46.985712
"1434216"	345.217246	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H+HCOOH"	47.012746
"223910"	326.22674	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+3H2O+2H"	56.04448
"1517446"	359.26929	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+IsoProp+H"	61.06479
"417131"	329.180688	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+Na+K"	61.952376
"785532"	478.282938	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+Na+K"	61.952376
"1681252"	180.078438	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Na+K"	61.952376
"266457"	660.424768	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+ACN+Na"	64.015768
"1240620"	362.220268	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+ACN+Na"	64.015768
"1727322"	362.243793	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+NH4+HCOOH"	64.039293
"1193039"	122.390718	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+3Na"	68.967654
"1662929"	367.199188	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Na+HCOOH"	68.994688
"169792"	673.32804	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+2K-H"	76.91904
"607534"	971.53254	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+2K-H"	76.91904
"1094235"	375.12354	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2K-H"	76.91904
"149959"	337.167658	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"2M+2K"	77.926316
"595960"	486.269908	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"3M+2K"	77.926316
"1082903"	188.065408	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2K"	77.926316
"1110155"	377.138092	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2K+H"	78.933592
"1346906"	377.225707	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+DMSO+H"	79.021207
"1017624"	381.264876	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2ACN+H"	83.060376
"1538790"	382.258508	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+IsoProp+Na+H"	84.054008
"1004020"	191.136076	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+2ACN+2H"	84.067652
"1601683"	383.173128	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+K+HCOOH"	84.968628
"1429850"	413.204638	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+H+CF3COOH"	115.000138
"1161883"	211.649351	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+3ACN+2H"	125.094202
"1712621"	430.231185	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+NH4+CF3COOH"	132.026685
"1649642"	435.18658	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+Na+CF3COOH"	136.98208
"1586625"	451.16052	"C09197"	"Geissoschizoline;(16alpha)-Curan-17-ol"	"C19H26N2O"	"298.2045"	"M+K+CF3COOH"	152.95602
"803868"	528.2723	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M"	0
"980682"	509.25391	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-H2O-H"	-19.01839
"70018"	351.174257333333	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M-3H"	-3.021828
"516141"	527.265024	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M-3H"	-3.021828
"888474"	175.083490666667	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-3H"	-3.021828
"9238"	527.265024	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M-2H"	-2.014552
"450985"	791.401174	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M-2H"	-2.014552
"825507"	263.128874	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-2H"	-2.014552
"82216"	1055.537324	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M-H"	-1.007276
"520070"	1583.809624	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M-H"	-1.007276
"897507"	527.265024	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-H"	-1.007276
"48723"	1072.563871	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M-2H+NH4"	16.019271
"488039"	1600.836171	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M-2H+NH4"	16.019271
"865470"	544.291571	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-2H+NH4"	16.019271
"32401"	1077.519266	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M-2H+Na"	20.974666
"472577"	1605.791566	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M-2H+Na"	20.974666
"849323"	549.246966	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-2H+Na"	20.974666
"1619427"	549.246966	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Na-2H"	20.974666
"102647"	545.253363	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M-H+Cl"	33.962126
"538198"	809.389513	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M-H+Cl"	33.962126
"930253"	281.117213	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-H+Cl"	33.962126
"275374"	1091.514002	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+Cl"	34.969402
"666336"	1619.786302	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+Cl"	34.969402
"1278736"	563.241702	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Cl"	34.969402
"21658"	1093.493206	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M-2H+K"	36.948606
"456843"	1621.765506	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M-2H+K"	36.948606
"832880"	565.220906	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-2H+K"	36.948606
"1556307"	565.220906	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+K-2H"	36.948606
"943459"	573.270494	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-H+HCOOH"	44.998194
"363140"	1101.542801	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+HCOOH-H"	44.998201
"345925"	1115.558451	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+Hac-H"	59.013851
"1492784"	587.286151	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Hac-H"	59.013851
"961941"	595.252451	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-H+NaCOOH"	66.980151
"114129"	563.241702	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+2Cl"	69.938804
"552595"	827.377852	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+2Cl"	69.938804
"1023219"	299.105552	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2Cl"	69.938804
"1243895"	607.191185	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Br"	78.918885
"1305610"	609.247172	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Cl+HCOOH"	80.974872
"1328950"	631.229129	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Cl+NaCOOH"	102.956829
"926212"	641.257886	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M-H+CF3COOH"	112.985586
"1301093"	677.234564	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Cl+CF3COOH"	148.962264
"1377066"	493.259624	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H-2H2O"	-35.012676
"1388003"	511.2696	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H-H2O"	-17.0027
"286594"	1057.551876	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+H"	1.007276
"682296"	1585.824176	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+H"	1.007276
"1354635"	529.279576	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H"	1.007276
"129346"	529.279576	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+2H"	2.014552
"566718"	793.415726	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+2H"	2.014552
"1039527"	265.143426	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2H"	2.014552
"205604"	353.188809333333	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+3H"	3.021828
"644918"	529.279576	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+3H"	3.021828
"1166212"	177.098042666667	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+3H"	3.021828
"428753"	1074.578423	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+NH4"	18.033823
"790842"	1602.850723	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+NH4"	18.033823
"1686079"	546.306123	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+NH4"	18.033823
"335451"	537.7928495	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+H+NH4"	19.041099
"724226"	801.9289995	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+H+NH4"	19.041099
"1483881"	273.6566995	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H+NH4"	19.041099
"394294"	1079.533818	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+Na"	22.989218
"756629"	1607.806118	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+Na"	22.989218
"1604362"	551.261518	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Na"	22.989218
"317316"	540.270547	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+H+Na"	23.996494
"713020"	804.406697	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+H+Na"	23.996494
"1462338"	276.134397	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H+Na"	23.996494
"1053149"	184.425356666667	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2H+Na"	25.00377
"1258481"	561.305786	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+CH3OH+H"	33.033486
"380339"	1095.507758	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+K"	38.963158
"741340"	1623.780058	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+K"	38.963158
"1542302"	567.235458	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+K"	38.963158
"299479"	548.257517	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+H+K"	39.970434
"695180"	812.393667	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+H+K"	39.970434
"1447910"	284.121367	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H+K"	39.970434
"241979"	1098.578426	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+ACN+H"	42.033826
"1217967"	570.306126	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+ACN+H"	42.033826
"1202948"	285.656701	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+ACN+2H"	43.041102
"195819"	1101.51576	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+2Na-H"	44.97116
"643288"	1629.78806	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+2Na-H"	44.97116
"1146551"	573.24346	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2Na-H"	44.97116
"183276"	551.261518	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+2Na"	45.978436
"625389"	815.397668	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+2Na"	45.978436
"1126343"	287.125368	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2Na"	45.978436
"1402211"	191.752670666667	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H+2Na"	46.985712
"1435419"	575.285046	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H+HCOOH"	47.012746
"225113"	556.29454	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+3H2O+2H"	56.04448
"1517556"	589.33709	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+IsoProp+H"	61.06479
"417241"	559.248488	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+Na+K"	61.952376
"782622"	823.384638	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+Na+K"	61.952376
"1680047"	295.112338	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Na+K"	61.952376
"265111"	1120.560368	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+ACN+Na"	64.015768
"1239273"	592.288068	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+ACN+Na"	64.015768
"1726704"	592.311593	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+NH4+HCOOH"	64.039293
"1191328"	199.079984666667	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+3Na"	68.967654
"1660854"	597.266988	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Na+HCOOH"	68.994688
"168810"	1133.46364	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+2K-H"	76.91904
"608007"	1661.73594	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+2K-H"	76.91904
"1095074"	605.19134	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2K-H"	76.91904
"151891"	567.235458	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"2M+2K"	77.926316
"595586"	831.371608	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"3M+2K"	77.926316
"1081433"	303.099308	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2K"	77.926316
"1110629"	607.205892	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2K+H"	78.933592
"1347016"	607.293507	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+DMSO+H"	79.021207
"1017370"	611.332676	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2ACN+H"	83.060376
"1537682"	612.326308	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+IsoProp+Na+H"	84.054008
"1001214"	306.169976	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+2ACN+2H"	84.067652
"1600822"	613.240928	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+K+HCOOH"	84.968628
"1428304"	643.272438	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+H+CF3COOH"	115.000138
"1161021"	326.683251	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+3ACN+2H"	125.094202
"1712692"	660.298985	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+NH4+CF3COOH"	132.026685
"1647802"	665.25438	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+Na+CF3COOH"	136.98208
"1586735"	681.22832	"C09198"	"Terpenoid EA-I;Excoecariatoxin;22232425-Tetradehydro-simplexin"	"C30H40O8"	"528.2723"	"M+K+CF3COOH"	152.95602
"803978"	632.3726	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M"	0
"980792"	613.35421	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-H2O-H"	-19.01839
"70128"	420.574457333333	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M-3H"	-3.021828
"516251"	631.365324	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M-3H"	-3.021828
"888584"	209.783590666667	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-3H"	-3.021828
"9348"	631.365324	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M-2H"	-2.014552
"452188"	947.551624	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M-2H"	-2.014552
"827803"	315.179024	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-2H"	-2.014552
"84512"	1263.737924	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M-H"	-1.007276
"520790"	1896.110524	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M-H"	-1.007276
"899683"	631.365324	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-H"	-1.007276
"49684"	1280.764471	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M-2H+NH4"	16.019271
"489487"	1913.137071	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M-2H+NH4"	16.019271
"867045"	648.391871	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-2H+NH4"	16.019271
"32396"	1285.719866	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M-2H+Na"	20.974666
"472077"	1918.092466	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M-2H+Na"	20.974666
"849513"	653.347266	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-2H+Na"	20.974666
"1619413"	653.347266	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Na-2H"	20.974666
"102757"	649.353663	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M-H+Cl"	33.962126
"537943"	965.539963	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M-H+Cl"	33.962126
"932185"	333.167363	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-H+Cl"	33.962126
"277671"	1299.714602	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+Cl"	34.969402
"666811"	1932.087202	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+Cl"	34.969402
"1282493"	667.342002	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Cl"	34.969402
"23593"	1301.693806	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M-2H+K"	36.948606
"458047"	1934.066406	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M-2H+K"	36.948606
"833656"	669.321206	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-2H+K"	36.948606
"1556174"	669.321206	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+K-2H"	36.948606
"942894"	677.370794	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-H+HCOOH"	44.998194
"363614"	1309.743401	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+HCOOH-H"	44.998201
"346764"	1323.759051	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+Hac-H"	59.013851
"1492779"	691.386451	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Hac-H"	59.013851
"962781"	699.352751	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-H+NaCOOH"	66.980151
"115702"	667.342002	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+2Cl"	69.938804
"552708"	983.528302	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+2Cl"	69.938804
"1024060"	351.155702	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2Cl"	69.938804
"1244363"	711.291485	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Br"	78.918885
"1305722"	713.347472	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Cl+HCOOH"	80.974872
"1323223"	735.329429	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Cl+NaCOOH"	102.956829
"920117"	745.358186	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M-H+CF3COOH"	112.985586
"1302295"	781.334864	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Cl+CF3COOH"	148.962264
"1373894"	597.359924	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H-2H2O"	-35.012676
"1391390"	615.3699	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H-H2O"	-17.0027
"285973"	1265.752476	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+H"	1.007276
"678759"	1898.125076	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+H"	1.007276
"1357661"	633.379876	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H"	1.007276
"130548"	633.379876	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+2H"	2.014552
"567557"	949.566176	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+2H"	2.014552
"1039273"	317.193576	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2H"	2.014552
"206079"	422.589009333333	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+3H"	3.021828
"645274"	633.379876	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+3H"	3.021828
"1168144"	211.798142666667	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+3H"	3.021828
"428863"	1282.779023	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+NH4"	18.033823
"790223"	1915.151623	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+NH4"	18.033823
"1685096"	650.406423	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+NH4"	18.033823
"334468"	641.8931495	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+H+NH4"	19.041099
"723728"	958.0794495	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+H+NH4"	19.041099
"1484355"	325.7068495	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H+NH4"	19.041099
"393674"	1287.734418	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+Na"	22.989218
"756375"	1920.107018	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+Na"	22.989218
"1604836"	655.361818	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Na"	22.989218
"317062"	644.370847	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+H+Na"	23.996494
"714223"	960.557147	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+H+Na"	23.996494
"1462327"	328.184547	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H+Na"	23.996494
"1053220"	219.125456666667	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2H+Na"	25.00377
"1258227"	665.406086	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+CH3OH+H"	33.033486
"379719"	1303.708358	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+K"	38.963158
"743636"	1936.080958	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+K"	38.963158
"1543506"	671.335758	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+K"	38.963158
"300682"	652.357817	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+H+K"	39.970434
"694197"	968.544117	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+H+K"	39.970434
"1449477"	336.171517	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H+K"	39.970434
"242089"	1306.779026	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+ACN+H"	42.033826
"1216985"	674.406426	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+ACN+H"	42.033826
"1203058"	337.706851	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+ACN+2H"	43.041102
"195929"	1309.71636	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+2Na-H"	44.97116
"643763"	1942.08896	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+2Na-H"	44.97116
"1146300"	677.34376	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2Na-H"	44.97116
"183386"	655.361818	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+2Na"	45.978436
"626227"	971.548118	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+2Na"	45.978436
"1126453"	339.175518	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2Na"	45.978436
"1405601"	226.452770666667	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H+2Na"	46.985712
"1435529"	679.385346	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H+HCOOH"	47.012746
"225223"	660.39484	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+3H2O+2H"	56.04448
"1519852"	693.43739	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+IsoProp+H"	61.06479
"418444"	663.348788	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+Na+K"	61.952376
"783825"	979.535088	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+Na+K"	61.952376
"1680161"	347.162488	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Na+K"	61.952376
"266316"	1328.760968	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+ACN+Na"	64.015768
"1237197"	696.388368	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+ACN+Na"	64.015768
"1726693"	696.411893	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+NH4+HCOOH"	64.039293
"1191437"	233.780084666667	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+3Na"	68.967654
"1662059"	701.367288	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Na+HCOOH"	68.994688
"167827"	1341.66424	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+2K-H"	76.91904
"607388"	1974.03684	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+2K-H"	76.91904
"1095185"	709.29164	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2K-H"	76.91904
"150908"	671.335758	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"2M+2K"	77.926316
"594115"	987.522058	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"3M+2K"	77.926316
"1079720"	355.149458	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2K"	77.926316
"1110010"	711.306192	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2K+H"	78.933592
"1347126"	711.393807	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+DMSO+H"	79.021207
"1014564"	715.432976	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2ACN+H"	83.060376
"1533781"	716.426608	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+IsoProp+Na+H"	84.054008
"1002417"	358.220126	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+2ACN+2H"	84.067652
"1601053"	717.341228	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+K+HCOOH"	84.968628
"1429144"	747.372738	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+H+CF3COOH"	115.000138
"1159430"	378.733401	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+3ACN+2H"	125.094202
"1712550"	764.399285	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+NH4+CF3COOH"	132.026685
"1647912"	769.35468	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+Na+CF3COOH"	136.98208
"1586845"	785.32862	"C09200"	"Geissospermine"	"C40H48N4O3"	"632.3726"	"M+K+CF3COOH"	152.95602
"807368"	598.2567	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M"	0
"984182"	579.23831	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-H2O-H"	-19.01839
"73518"	397.830524	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M-3H"	-3.021828
"518402"	597.249424	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M-3H"	-3.021828
"888694"	198.411624	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-3H"	-3.021828
"13104"	597.249424	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M-2H"	-2.014552
"453391"	896.377774	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M-2H"	-2.014552
"831924"	298.121074	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-2H"	-2.014552
"84623"	1195.506124	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M-H"	-1.007276
"523085"	1793.762824	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M-H"	-1.007276
"897971"	597.249424	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-H"	-1.007276
"47728"	1212.532671	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M-2H+NH4"	16.019271
"488018"	1810.789371	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M-2H+NH4"	16.019271
"864724"	614.275971	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-2H+NH4"	16.019271
"32874"	1217.488066	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M-2H+Na"	20.974666
"474621"	1815.744766	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M-2H+Na"	20.974666
"848516"	619.231366	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-2H+Na"	20.974666
"1620498"	619.231366	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Na-2H"	20.974666
"103960"	615.237763	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M-H+Cl"	33.962126
"539146"	914.366113	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M-H+Cl"	33.962126
"934847"	316.109413	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-H+Cl"	33.962126
"277781"	1231.482802	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+Cl"	34.969402
"668015"	1829.739502	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+Cl"	34.969402
"1283697"	633.226102	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Cl"	34.969402
"22975"	1233.462006	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M-2H+K"	36.948606
"459250"	1831.718706	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M-2H+K"	36.948606
"833768"	635.205306	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-2H+K"	36.948606
"1556770"	635.205306	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+K-2H"	36.948606
"943683"	643.254894	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-H+HCOOH"	44.998194
"364456"	1241.511601	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+HCOOH-H"	44.998201
"346877"	1255.527251	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+Hac-H"	59.013851
"1494980"	657.270551	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Hac-H"	59.013851
"964715"	665.236851	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-H+NaCOOH"	66.980151
"116905"	633.226102	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+2Cl"	69.938804
"555371"	932.354452	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+2Cl"	69.938804
"1023805"	334.097752	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2Cl"	69.938804
"1243746"	677.175585	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Br"	78.918885
"1304741"	679.231572	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Cl+HCOOH"	80.974872
"1322605"	701.213529	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Cl+NaCOOH"	102.956829
"920227"	711.242286	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M-H+CF3COOH"	112.985586
"1301309"	747.218964	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Cl+CF3COOH"	148.962264
"1375097"	563.244024	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H-2H2O"	-35.012676
"1393687"	581.254	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H-H2O"	-17.0027
"287906"	1197.520676	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+H"	1.007276
"681418"	1795.777376	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+H"	1.007276
"1352300"	599.263976	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H"	1.007276
"128471"	599.263976	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+2H"	2.014552
"568397"	898.392326	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+2H"	2.014552
"1041206"	300.135626	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2H"	2.014552
"206189"	399.845076	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+3H"	3.021828
"645021"	599.263976	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+3H"	3.021828
"1164970"	200.426176	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+3H"	3.021828
"424594"	1214.547223	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+NH4"	18.033823
"789240"	1812.803923	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+NH4"	18.033823
"1684841"	616.290523	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+NH4"	18.033823
"330567"	607.7772495	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+H+NH4"	19.041099
"722896"	906.9055995	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+H+NH4"	19.041099
"1477774"	308.6488995	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H+NH4"	19.041099
"394025"	1219.502618	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+Na"	22.989218
"754252"	1817.759318	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+Na"	22.989218
"1604584"	621.245918	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Na"	22.989218
"318631"	610.254947	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+H+Na"	23.996494
"712146"	909.383297	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+H+Na"	23.996494
"1462071"	311.126597	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H+Na"	23.996494
"1053008"	207.75349	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2H+Na"	25.00377
"1258701"	631.290186	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+CH3OH+H"	33.033486
"379467"	1235.476558	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+K"	38.963158
"743746"	1833.733258	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+K"	38.963158
"1542884"	637.219858	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+K"	38.963158
"301886"	618.241917	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+H+K"	39.970434
"696495"	917.370267	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+H+K"	39.970434
"1449223"	319.113567	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H+K"	39.970434
"243292"	1238.547226	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+ACN+H"	42.033826
"1219281"	640.290526	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+ACN+H"	42.033826
"1203168"	320.648901	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+ACN+2H"	43.041102
"198225"	1241.48456	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+2Na-H"	44.97116
"644113"	1839.74126	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+2Na-H"	44.97116
"1146535"	643.22786	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2Na-H"	44.97116
"188539"	621.245918	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+2Na"	45.978436
"627187"	920.374268	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+2Na"	45.978436
"1121093"	322.117568	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2Na"	45.978436
"1406805"	215.080804	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H+2Na"	46.985712
"1434546"	645.269446	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H+HCOOH"	47.012746
"224966"	626.27894	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+3H2O+2H"	56.04448
"1523450"	659.32149	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+IsoProp+H"	61.06479
"423051"	629.232888	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+Na+K"	61.952376
"782114"	928.361238	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+Na+K"	61.952376
"1678811"	330.104538	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Na+K"	61.952376
"264602"	1260.529168	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+ACN+Na"	64.015768
"1240547"	662.272468	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+ACN+Na"	64.015768
"1726923"	662.295993	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+NH4+HCOOH"	64.039293
"1191546"	222.408118	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+3Na"	68.967654
"1662167"	667.251388	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Na+HCOOH"	68.994688
"169029"	1273.43244	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+2K-H"	76.91904
"607128"	1871.68914	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+2K-H"	76.91904
"1098575"	675.17574	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2K-H"	76.91904
"153205"	637.219858	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"2M+2K"	77.926316
"594957"	936.348208	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"3M+2K"	77.926316
"1081652"	338.091508	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2K"	77.926316
"1110484"	677.190292	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2K+H"	78.933592
"1347966"	677.277907	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+DMSO+H"	79.021207
"1015767"	681.317076	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2ACN+H"	83.060376
"1531705"	682.310708	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+IsoProp+Na+H"	84.054008
"999247"	341.162176	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+2ACN+2H"	84.067652
"1599218"	683.225328	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+K+HCOOH"	84.968628
"1425972"	713.256838	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+H+CF3COOH"	115.000138
"1159539"	361.675451	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+3ACN+2H"	125.094202
"1711280"	730.283385	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+NH4+CF3COOH"	132.026685
"1648022"	735.23878	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+Na+CF3COOH"	136.98208
"1586955"	751.21272	"C09201"	"Tinyatoxin"	"C36H38O8"	"598.2567"	"M+K+CF3COOH"	152.95602
"804198"	376.1522	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M"	0
"981012"	357.13381	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-H2O-H"	-19.01839
"70348"	249.760857333333	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M-3H"	-3.021828
"517933"	375.144924	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M-3H"	-3.021828
"888804"	124.376790666667	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-3H"	-3.021828
"12848"	375.144924	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M-2H"	-2.014552
"453501"	563.221024	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M-2H"	-2.014552
"828024"	187.068824	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-2H"	-2.014552
"85827"	751.297124	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M-H"	-1.007276
"525386"	1127.449324	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M-H"	-1.007276
"898812"	375.144924	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-H"	-1.007276
"51001"	768.323671	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M-2H+NH4"	16.019271
"487764"	1144.475871	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M-2H+NH4"	16.019271
"864957"	392.171471	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-2H+NH4"	16.019271
"32374"	773.279066	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M-2H+Na"	20.974666
"472665"	1149.431266	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M-2H+Na"	20.974666
"848593"	397.126866	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-2H+Na"	20.974666
"1619150"	397.126866	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Na-2H"	20.974666
"106258"	393.133263	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M-H+Cl"	33.962126
"546914"	581.209363	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M-H+Cl"	33.962126
"931679"	205.057163	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-H+Cl"	33.962126
"276798"	787.273802	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+Cl"	34.969402
"671406"	1163.426002	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+Cl"	34.969402
"1284903"	411.121602	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Cl"	34.969402
"24179"	789.253006	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M-2H+K"	36.948606
"464830"	1165.405206	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M-2H+K"	36.948606
"835703"	413.100806	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-2H+K"	36.948606
"1558097"	413.100806	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+K-2H"	36.948606
"943795"	421.150394	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-H+HCOOH"	44.998194
"366755"	797.302601	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+HCOOH-H"	44.998201
"346747"	811.318251	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+Hac-H"	59.013851
"1495094"	435.166051	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Hac-H"	59.013851
"964825"	443.132351	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-H+NaCOOH"	66.980151
"117015"	411.121602	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+2Cl"	69.938804
"554389"	599.197702	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+2Cl"	69.938804
"1023188"	223.045502	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2Cl"	69.938804
"1243858"	455.071085	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Br"	78.918885
"1304851"	457.127072	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Cl+HCOOH"	80.974872
"1321617"	479.109029	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Cl+NaCOOH"	102.956829
"920337"	489.137786	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M-H+CF3COOH"	112.985586
"1295951"	525.114464	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Cl+CF3COOH"	148.962264
"1374114"	341.139524	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H-2H2O"	-35.012676
"1393797"	359.1495	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H-H2O"	-17.0027
"291296"	753.311676	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+H"	1.007276
"680435"	1129.463876	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+H"	1.007276
"1354598"	377.159476	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H"	1.007276
"131861"	377.159476	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+2H"	2.014552
"572516"	565.235576	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+2H"	2.014552
"1041316"	189.083376	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2H"	2.014552
"208121"	251.775409333333	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+3H"	3.021828
"648775"	377.159476	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+3H"	3.021828
"1166174"	126.391342666667	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+3H"	3.021828
"424583"	770.338223	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+NH4"	18.033823
"789349"	1146.490423	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+NH4"	18.033823
"1684221"	394.186023	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+NH4"	18.033823
"330353"	385.6727495	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+H+NH4"	19.041099
"722964"	573.7488495	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+H+NH4"	19.041099
"1477273"	197.5966495	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H+NH4"	19.041099
"393406"	775.293618	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+Na"	22.989218
"755136"	1151.445818	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+Na"	22.989218
"1603355"	399.141418	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Na"	22.989218
"314365"	388.150447	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+H+Na"	23.996494
"707263"	576.226547	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+H+Na"	23.996494
"1462665"	200.074347	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H+Na"	23.996494
"1053076"	133.718656666667	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2H+Na"	25.00377
"1258446"	409.185686	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+CH3OH+H"	33.033486
"377749"	791.267558	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+K"	38.963158
"738904"	1167.419758	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+K"	38.963158
"1540193"	415.115358	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+K"	38.963158
"301995"	396.137417	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+H+K"	39.970434
"696604"	584.213517	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+H+K"	39.970434
"1447143"	208.061317	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H+K"	39.970434
"235752"	794.338226	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+ACN+H"	42.033826
"1210110"	418.186026	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+ACN+H"	42.033826
"1205465"	209.596651	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+ACN+2H"	43.041102
"197604"	797.27556	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+2Na-H"	44.97116
"643825"	1173.42776	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+2Na-H"	44.97116
"1145539"	421.12336	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2Na-H"	44.97116
"180323"	399.141418	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+2Na"	45.978436
"626325"	587.217518	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+2Na"	45.978436
"1121202"	211.065318	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2Na"	45.978436
"1405820"	141.045970666667	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H+2Na"	46.985712
"1434655"	423.164946	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H+HCOOH"	47.012746
"223619"	404.17444	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+3H2O+2H"	56.04448
"1520069"	437.21699	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+IsoProp+H"	61.06479
"410277"	407.128388	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+Na+K"	61.952376
"783317"	595.204488	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+Na+K"	61.952376
"1675998"	219.052288	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Na+K"	61.952376
"262517"	816.320168	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+ACN+Na"	64.015768
"1237411"	440.167968	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+ACN+Na"	64.015768
"1723019"	440.191493	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+NH4+HCOOH"	64.039293
"1188372"	148.373284666667	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+3Na"	68.967654
"1658264"	445.146888	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Na+HCOOH"	68.994688
"166216"	829.22344	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+2K-H"	76.91904
"609053"	1205.37564	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+2K-H"	76.91904
"1094310"	453.07124	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2K-H"	76.91904
"150394"	415.115358	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"2M+2K"	77.926316
"591776"	603.191458	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"3M+2K"	77.926316
"1081395"	227.039258	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2K"	77.926316
"1106581"	455.085792	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2K+H"	78.933592
"1347346"	455.173407	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+DMSO+H"	79.021207
"1015875"	459.212576	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2ACN+H"	83.060376
"1534000"	460.206208	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+IsoProp+Na+H"	84.054008
"998262"	230.109926	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+2ACN+2H"	84.067652
"1598233"	461.120828	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+K+HCOOH"	84.968628
"1423889"	491.152338	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+H+CF3COOH"	115.000138
"1155271"	250.623201	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+3ACN+2H"	125.094202
"1702636"	508.178885	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+NH4+CF3COOH"	132.026685
"1641569"	513.13428	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+Na+CF3COOH"	136.98208
"1577223"	529.10822	"C09202"	"Tripdiolide;Triptodiolide"	"C20H24O7"	"376.1522"	"M+K+CF3COOH"	152.95602
"814149"	358.1893	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M"	0
"981123"	339.17091	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-H2O-H"	-19.01839
"70458"	237.785590666667	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M-3H"	-3.021828
"517674"	357.182024	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M-3H"	-3.021828
"888914"	118.389157333333	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-3H"	-3.021828
"12960"	357.182024	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M-2H"	-2.014552
"453247"	536.276674	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M-2H"	-2.014552
"830565"	178.087374	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-2H"	-2.014552
"89583"	715.371324	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M-H"	-1.007276
"526589"	1073.560624	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M-H"	-1.007276
"901110"	357.182024	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-H"	-1.007276
"51111"	732.397871	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M-2H+NH4"	16.019271
"490669"	1090.587171	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M-2H+NH4"	16.019271
"867378"	374.208571	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-2H+NH4"	16.019271
"34186"	737.353266	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M-2H+Na"	20.974666
"472654"	1095.542566	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M-2H+Na"	20.974666
"848752"	379.163966	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-2H+Na"	20.974666
"1622178"	379.163966	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Na-2H"	20.974666
"103085"	375.170363	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M-H+Cl"	33.962126
"543741"	554.265013	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M-H+Cl"	33.962126
"933977"	196.075713	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-H+Cl"	33.962126
"279825"	751.348002	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+Cl"	34.969402
"671516"	1109.537302	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+Cl"	34.969402
"1281733"	393.158702	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Cl"	34.969402
"25383"	753.327206	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M-2H+K"	36.948606
"466034"	1111.516506	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M-2H+K"	36.948606
"836907"	395.137906	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-2H+K"	36.948606
"1557114"	395.137906	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+K-2H"	36.948606
"944633"	403.187494	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-H+HCOOH"	44.998194
"365772"	761.376801	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+HCOOH-H"	44.998201
"347467"	775.392451	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+Hac-H"	59.013851
"1494474"	417.203151	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Hac-H"	59.013851
"959104"	425.169451	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-H+NaCOOH"	66.980151
"117856"	393.158702	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+2Cl"	69.938804
"558509"	572.253352	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+2Cl"	69.938804
"1025486"	214.064052	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2Cl"	69.938804
"1247250"	437.108185	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Br"	78.918885
"1304598"	439.164172	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Cl+HCOOH"	80.974872
"1320635"	461.146129	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Cl+NaCOOH"	102.956829
"920447"	471.174886	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M-H+CF3COOH"	112.985586
"1294968"	507.151564	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Cl+CF3COOH"	148.962264
"1370943"	323.176624	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H-2H2O"	-35.012676
"1389533"	341.1866	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H-H2O"	-17.0027
"285937"	717.385876	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+H"	1.007276
"681639"	1075.575176	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+H"	1.007276
"1356895"	359.196576	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H"	1.007276
"130877"	359.196576	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+2H"	2.014552
"570436"	538.291226	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+2H"	2.014552
"1041426"	180.101926	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2H"	2.014552
"209324"	239.800142666667	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+3H"	3.021828
"647063"	359.196576	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+3H"	3.021828
"1170294"	120.403709333333	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+3H"	3.021828
"428098"	734.412423	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+NH4"	18.033823
"789458"	1092.601723	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+NH4"	18.033823
"1685791"	376.223123	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+NH4"	18.033823
"330419"	367.7098495	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+H+NH4"	19.041099
"722916"	546.8044995	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+H+NH4"	19.041099
"1477549"	188.6151995	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H+NH4"	19.041099
"395340"	739.367818	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+Na"	22.989218
"757063"	1097.557118	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+Na"	22.989218
"1603822"	381.178518	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Na"	22.989218
"314710"	370.187547	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+H+Na"	23.996494
"707742"	549.282197	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+H+Na"	23.996494
"1465449"	191.092897	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H+Na"	23.996494
"1053023"	127.731023333333	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2H+Na"	25.00377
"1257827"	391.222786	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+CH3OH+H"	33.033486
"377533"	755.341758	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+K"	38.963158
"739056"	1113.531058	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+K"	38.963158
"1540548"	397.152458	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+K"	38.963158
"302105"	378.174517	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+H+K"	39.970434
"697807"	557.269167	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+H+K"	39.970434
"1449441"	199.079867	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H+K"	39.970434
"238041"	758.412426	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+ACN+H"	42.033826
"1210382"	400.223126	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+ACN+H"	42.033826
"1205575"	200.615201	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+ACN+2H"	43.041102
"197350"	761.34976	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+2Na-H"	44.97116
"643969"	1119.53906	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+2Na-H"	44.97116
"1145649"	403.16046	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2Na-H"	44.97116
"186873"	381.178518	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+2Na"	45.978436
"627412"	560.273168	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+2Na"	45.978436
"1121312"	202.083868	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2Na"	45.978436
"1407023"	135.058337333333	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H+2Na"	46.985712
"1436221"	405.202046	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H+HCOOH"	47.012746
"224459"	386.21154	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+3H2O+2H"	56.04448
"1516899"	419.25409	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+IsoProp+H"	61.06479
"414396"	389.165488	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+Na+K"	61.952376
"781968"	568.260138	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+Na+K"	61.952376
"1676109"	210.070838	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Na+K"	61.952376
"262626"	780.394368	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+ACN+Na"	64.015768
"1236793"	422.205068	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+ACN+Na"	64.015768
"1722401"	422.228593	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+NH4+HCOOH"	64.039293
"1187754"	142.385651333333	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+3Na"	68.967654
"1658374"	427.183988	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Na+HCOOH"	68.994688
"166326"	793.29764	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+2K-H"	76.91904
"605522"	1151.48694	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+2K-H"	76.91904
"1087123"	435.10834	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2K-H"	76.91904
"149410"	397.152458	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"2M+2K"	77.926316
"585689"	576.247108	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"3M+2K"	77.926316
"1077858"	218.057808	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2K"	77.926316
"1106691"	437.122892	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2K+H"	78.933592
"1346362"	437.210507	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+DMSO+H"	79.021207
"1015985"	441.249676	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2ACN+H"	83.060376
"1533018"	442.243308	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+IsoProp+Na+H"	84.054008
"999465"	221.128476	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+2ACN+2H"	84.067652
"1598343"	443.157928	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+K+HCOOH"	84.968628
"1424002"	473.189438	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+H+CF3COOH"	115.000138
"1157568"	241.641751	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+3ACN+2H"	125.094202
"1702747"	490.215985	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+NH4+CF3COOH"	132.026685
"1648240"	495.17138	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+Na+CF3COOH"	136.98208
"1577333"	511.14532	"C09203"	"Gelsemicine"	"C20H26N2O4"	"358.1893"	"M+K+CF3COOH"	152.95602
"804418"	360.1573	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M"	0
"981233"	341.13891	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"67288"	239.097590666667	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"517784"	359.150024	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"889024"	119.045157333333	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"11976"	359.150024	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"450441"	539.228674	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"828244"	179.071374	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"90421"	719.307324	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"526699"	1079.464624	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"901220"	359.150024	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"49033"	736.333871	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"490779"	1096.491171	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"867488"	376.176571	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"33203"	741.289266	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"472885"	1101.446566	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"848773"	381.131966	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1623381"	381.131966	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"103195"	377.138363	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"544945"	557.217013	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"932264"	197.059713	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"279206"	755.284002	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"666159"	1115.441302	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1279656"	395.126702	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"24399"	757.263206	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"465050"	1117.420506	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"834465"	397.105906	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1557588"	397.105906	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"943646"	405.155494	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"361988"	765.312801	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"346843"	779.328451	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1494337"	419.171151	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"960672"	427.137451	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"119423"	395.126702	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"555703"	575.205352	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1021587"	215.048052	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1244080"	439.076185	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1305436"	441.132172	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1321474"	463.114129	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"912531"	473.142886	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1296171"	509.119564	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1369960"	325.144624	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1389643"	343.1546	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"284225"	721.321876	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"679562"	1081.479176	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1358098"	361.164576	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"128800"	361.164576	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"572734"	541.243226	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1041536"	181.085926	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"207248"	241.112142666667	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"646444"	361.164576	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1169311"	121.059709333333	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"427479"	738.348423	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"788839"	1098.505723	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1683715"	378.191123	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"330366"	369.6778495	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"723191"	549.7564995	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1477984"	189.5991995	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"394358"	743.303818	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"756445"	1103.461118	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1604177"	383.146518	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"316766"	372.155547	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"708461"	552.234197	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1464466"	192.076897	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1053945"	128.387023333333	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1257690"	393.190786	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"377848"	759.277758	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"739089"	1119.435058	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1540294"	399.120458	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"302216"	380.142517	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"694637"	560.221167	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1446633"	200.063867	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"236319"	762.348426	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1211214"	402.191126	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1204592"	201.599201	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"199646"	765.28576	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"642745"	1125.44306	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1144543"	405.12846	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"183824"	383.146518	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"626666"	563.225168	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1119964"	203.067868	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1404946"	135.714337333333	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1433779"	407.170046	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"223475"	388.17954	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1517009"	421.22209	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"415599"	391.133488	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"783535"	571.212138	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1677311"	211.054838	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"262736"	784.330368	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1238722"	424.173068	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1723237"	424.196593	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1188592"	143.041651333333	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1657391"	429.151988	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"168256"	797.23364	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"607816"	1157.39094	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1086504"	437.07634	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"145143"	399.120458	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"585799"	579.199108	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1073592"	219.041808	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1105707"	439.090892	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1345379"	439.178507	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1016095"	443.217676	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1532035"	444.211308	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"1000668"	222.112476	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1597360"	445.125928	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1424112"	475.157438	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1158771"	242.625751	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1701764"	492.183985	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1645071"	497.13938	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1577443"	513.11332	"C09204"	"Triptolide"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"807808"	338.2457	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M"	0
"981343"	319.22731	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-H2O-H"	-19.01839
"67398"	224.489857333333	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M-3H"	-3.021828
"517854"	337.238424	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M-3H"	-3.021828
"889134"	111.741290666667	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-3H"	-3.021828
"12086"	337.238424	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M-2H"	-2.014552
"453831"	506.361274	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M-2H"	-2.014552
"831271"	168.115574	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-2H"	-2.014552
"90167"	675.484124	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M-H"	-1.007276
"529725"	1013.729824	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M-H"	-1.007276
"904610"	337.238424	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-H"	-1.007276
"50236"	692.510671	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M-2H+NH4"	16.019271
"490889"	1030.756371	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M-2H+NH4"	16.019271
"865043"	354.264971	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-2H+NH4"	16.019271
"32945"	697.466066	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M-2H+Na"	20.974666
"473116"	1035.711766	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M-2H+Na"	20.974666
"848644"	359.220366	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-2H+Na"	20.974666
"1623491"	359.220366	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Na-2H"	20.974666
"104398"	355.226763	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M-H+Cl"	33.962126
"541773"	524.349613	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M-H+Cl"	33.962126
"934196"	186.103913	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-H+Cl"	33.962126
"278222"	711.460802	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+Cl"	34.969402
"669549"	1049.706502	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+Cl"	34.969402
"1280860"	373.215102	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Cl"	34.969402
"24509"	713.440006	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M-2H+K"	36.948606
"464067"	1051.685706	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M-2H+K"	36.948606
"836033"	375.194306	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-2H+K"	36.948606
"1557333"	375.194306	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+K-2H"	36.948606
"943514"	383.243894	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-H+HCOOH"	44.998194
"362706"	721.489601	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+HCOOH-H"	44.998201
"346708"	735.505251	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+Hac-H"	59.013851
"1494693"	397.259551	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Hac-H"	59.013851
"959081"	405.225851	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-H+NaCOOH"	66.980151
"117346"	373.215102	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+2Cl"	69.938804
"553626"	542.337952	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+2Cl"	69.938804
"1028987"	204.092252	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2Cl"	69.938804
"1246377"	417.164585	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Br"	78.918885
"1307735"	419.220572	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Cl+HCOOH"	80.974872
"1321949"	441.202529	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Cl+NaCOOH"	102.956829
"913371"	451.231286	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M-H+CF3COOH"	112.985586
"1297374"	487.207964	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Cl+CF3COOH"	148.962264
"1372256"	303.233024	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H-2H2O"	-35.012676
"1385378"	321.243	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H-H2O"	-17.0027
"283241"	677.498676	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+H"	1.007276
"679672"	1015.744376	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+H"	1.007276
"1353835"	339.252976	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H"	1.007276
"132191"	339.252976	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+2H"	2.014552
"570657"	508.375826	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+2H"	2.014552
"1041646"	170.130126	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2H"	2.014552
"207357"	226.504409333333	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+3H"	3.021828
"646554"	339.252976	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+3H"	3.021828
"1165777"	113.755842666667	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+3H"	3.021828
"425403"	694.525223	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+NH4"	18.033823
"786397"	1032.770923	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+NH4"	18.033823
"1683095"	356.279523	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+NH4"	18.033823
"330392"	347.7662495	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+H+NH4"	19.041099
"723909"	516.8890995	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+H+NH4"	19.041099
"1478094"	178.6433995	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H+NH4"	19.041099
"395560"	699.480618	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+Na"	22.989218
"756555"	1037.726318	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+Na"	22.989218
"1605746"	361.234918	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Na"	22.989218
"316876"	350.243947	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+H+Na"	23.996494
"710026"	519.366797	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+H+Na"	23.996494
"1464212"	181.121097	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H+Na"	23.996494
"1053816"	121.083156666667	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2H+Na"	25.00377
"1258288"	371.279186	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+CH3OH+H"	33.033486
"379533"	715.454558	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+K"	38.963158
"739321"	1053.700258	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+K"	38.963158
"1541864"	377.208858	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+K"	38.963158
"303419"	358.230917	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+H+K"	39.970434
"693654"	527.353767	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+H+K"	39.970434
"1446743"	189.108067	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H+K"	39.970434
"236796"	718.525226	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+ACN+H"	42.033826
"1212054"	380.279526	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+ACN+H"	42.033826
"1204701"	190.643401	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+ACN+2H"	43.041102
"197571"	721.46256	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+2Na-H"	44.97116
"638226"	1059.70826	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+2Na-H"	44.97116
"1143560"	383.21686	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2Na-H"	44.97116
"186972"	361.234918	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+2Na"	45.978436
"626048"	530.357768	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+2Na"	45.978436
"1120803"	192.112068	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2Na"	45.978436
"1405056"	128.410470666667	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H+2Na"	46.985712
"1433889"	385.258446	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H+HCOOH"	47.012746
"221762"	366.26794	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+3H2O+2H"	56.04448
"1517119"	399.31049	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+IsoProp+H"	61.06479
"412429"	369.221888	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+Na+K"	61.952376
"783279"	538.344738	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+Na+K"	61.952376
"1677421"	200.099038	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Na+K"	61.952376
"262846"	740.507168	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+ACN+Na"	64.015768
"1235552"	402.261468	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+ACN+Na"	64.015768
"1724076"	402.284993	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+NH4+HCOOH"	64.039293
"1188702"	135.737784666667	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+3Na"	68.967654
"1658594"	407.240388	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Na+HCOOH"	68.994688
"167637"	753.41044	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+2K-H"	76.91904
"607927"	1091.65614	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+2K-H"	76.91904
"1086250"	415.16474	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2K-H"	76.91904
"145252"	377.208858	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"2M+2K"	77.926316
"585909"	546.331708	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"3M+2K"	77.926316
"1073702"	208.086008	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2K"	77.926316
"1104724"	417.179292	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2K+H"	78.933592
"1346582"	417.266907	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+DMSO+H"	79.021207
"1016205"	421.306076	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2ACN+H"	83.060376
"1532145"	422.299708	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+IsoProp+Na+H"	84.054008
"1000778"	211.156676	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+2ACN+2H"	84.067652
"1599657"	423.214328	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+K+HCOOH"	84.968628
"1423128"	453.245838	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+H+CF3COOH"	115.000138
"1157787"	231.669951	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+3ACN+2H"	125.094202
"1702967"	470.272385	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+NH4+CF3COOH"	132.026685
"1645180"	475.22778	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+Na+CF3COOH"	136.98208
"1577553"	491.20172	"C09205"	"Zoapatanol"	"C20H34O4"	"338.2457"	"M+K+CF3COOH"	152.95602
"807918"	340.0794	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M"	0
"981453"	321.06101	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-H2O-H"	-19.01839
"67508"	225.712324	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M-3H"	-3.021828
"517641"	339.072124	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M-3H"	-3.021828
"889244"	112.352524	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-3H"	-3.021828
"14383"	339.072124	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M-2H"	-2.014552
"453577"	509.111824	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M-2H"	-2.014552
"831140"	169.032424	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-2H"	-2.014552
"93073"	679.151524	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M-H"	-1.007276
"530199"	1019.230924	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M-H"	-1.007276
"904720"	339.072124	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-H"	-1.007276
"50346"	696.178071	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M-2H+NH4"	16.019271
"490999"	1036.257471	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M-2H+NH4"	16.019271
"865762"	356.098671	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-2H+NH4"	16.019271
"32934"	701.133466	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M-2H+Na"	20.974666
"473469"	1041.212866	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M-2H+Na"	20.974666
"850175"	361.054066	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-2H+Na"	20.974666
"1622508"	361.054066	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Na-2H"	20.974666
"106695"	357.060463	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M-H+Cl"	33.962126
"541884"	527.100163	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M-H+Cl"	33.962126
"939772"	187.020763	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-H+Cl"	33.962126
"278331"	715.128202	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+Cl"	34.969402
"668565"	1055.207602	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+Cl"	34.969402
"1280970"	375.048802	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Cl"	34.969402
"23526"	717.107406	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M-2H+K"	36.948606
"464178"	1057.186806	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M-2H+K"	36.948606
"836511"	377.028006	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-2H+K"	36.948606
"1557443"	377.028006	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+K-2H"	36.948606
"944962"	385.077594	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-H+HCOOH"	44.998194
"362575"	725.157001	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+HCOOH-H"	44.998201
"347426"	739.172651	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+Hac-H"	59.013851
"1494803"	399.093251	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Hac-H"	59.013851
"960163"	407.059551	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-H+NaCOOH"	66.980151
"119643"	375.048802	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+2Cl"	69.938804
"551670"	545.088502	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+2Cl"	69.938804
"1029097"	205.009102	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2Cl"	69.938804
"1246488"	418.998285	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Br"	78.918885
"1311125"	421.054272	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Cl+HCOOH"	80.974872
"1324247"	443.036229	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Cl+NaCOOH"	102.956829
"916398"	453.064986	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M-H+CF3COOH"	112.985586
"1294205"	489.041664	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Cl+CF3COOH"	148.962264
"1372366"	305.066724	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H-2H2O"	-35.012676
"1383419"	323.0767	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H-H2O"	-17.0027
"283468"	681.166076	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+H"	1.007276
"677595"	1021.245476	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+H"	1.007276
"1352120"	341.086676	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H"	1.007276
"128291"	341.086676	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+2H"	2.014552
"570768"	511.126376	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+2H"	2.014552
"1047221"	171.046976	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2H"	2.014552
"207831"	227.726876	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+3H"	3.021828
"647028"	341.086676	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+3H"	3.021828
"1165885"	114.367076	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+3H"	3.021828
"426361"	698.192623	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+NH4"	18.033823
"787358"	1038.272023	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+NH4"	18.033823
"1681660"	358.113223	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+NH4"	18.033823
"331846"	349.5999495	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+H+NH4"	19.041099
"723537"	519.6396495	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+H+NH4"	19.041099
"1477472"	179.5602495	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H+NH4"	19.041099
"394089"	703.148018	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+Na"	22.989218
"758852"	1043.227418	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+Na"	22.989218
"1610231"	363.068618	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Na"	22.989218
"315894"	352.077647	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+H+Na"	23.996494
"709408"	522.117347	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+H+Na"	23.996494
"1464323"	182.037947	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H+Na"	23.996494
"1058663"	121.69439	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2H+Na"	25.00377
"1259615"	373.112886	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+CH3OH+H"	33.033486
"377828"	719.121958	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+K"	38.963158
"739921"	1059.201358	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+K"	38.963158
"1541975"	379.042558	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+K"	38.963158
"300977"	360.064617	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+H+K"	39.970434
"692672"	530.104317	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+H+K"	39.970434
"1445771"	190.024917	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H+K"	39.970434
"237270"	722.192626	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+ACN+H"	42.033826
"1212532"	382.113226	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+ACN+H"	42.033826
"1202620"	191.560251	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+ACN+2H"	43.041102
"197678"	725.12996	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+2Na-H"	44.97116
"633963"	1065.20936	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+2Na-H"	44.97116
"1146225"	385.05056	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2Na-H"	44.97116
"182950"	363.068618	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+2Na"	45.978436
"626886"	533.108318	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+2Na"	45.978436
"1119090"	193.028918	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2Na"	45.978436
"1401521"	129.021704	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H+2Na"	46.985712
"1435092"	387.092146	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H+HCOOH"	47.012746
"223694"	368.10164	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+3H2O+2H"	56.04448
"1515042"	401.14419	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+IsoProp+H"	61.06479
"410353"	371.055588	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+Na+K"	61.952376
"779011"	541.095288	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+Na+K"	61.952376
"1674250"	201.015888	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Na+K"	61.952376
"263685"	744.174568	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+ACN+Na"	64.015768
"1237850"	404.095168	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+ACN+Na"	64.015768
"1722364"	404.118693	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+NH4+HCOOH"	64.039293
"1186622"	136.349018	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+3Na"	68.967654
"1657610"	409.074088	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Na+HCOOH"	68.994688
"166292"	757.07784	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+2K-H"	76.91904
"604028"	1097.15724	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+2K-H"	76.91904
"1087453"	416.99844	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2K-H"	76.91904
"144267"	379.042558	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"2M+2K"	77.926316
"586019"	549.082258	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"3M+2K"	77.926316
"1073812"	209.002858	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2K"	77.926316
"1104835"	419.012992	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2K+H"	78.933592
"1346693"	419.100607	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+DMSO+H"	79.021207
"1015222"	423.139776	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2ACN+H"	83.060376
"1533349"	424.133408	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+IsoProp+Na+H"	84.054008
"1000888"	212.073526	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+2ACN+2H"	84.067652
"1599768"	425.048028	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+K+HCOOH"	84.968628
"1424334"	455.079538	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+H+CF3COOH"	115.000138
"1157901"	232.586801	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+3ACN+2H"	125.094202
"1703077"	472.106085	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+NH4+CF3COOH"	132.026685
"1645290"	477.06148	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+Na+CF3COOH"	136.98208
"1572195"	493.03542	"C09206"	"Cichoriin"	"C15H16O9"	"340.0794"	"M+K+CF3COOH"	152.95602
"808028"	322.1681	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M"	0
"981562"	303.14971	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-H2O-H"	-19.01839
"70898"	213.771457333333	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M-3H"	-3.021828
"514833"	321.160824	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M-3H"	-3.021828
"889354"	106.382090666667	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-3H"	-3.021828
"15475"	321.160824	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M-2H"	-2.014552
"455474"	482.244874	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M-2H"	-2.014552
"832100"	160.076774	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-2H"	-2.014552
"94157"	643.328924	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M-H"	-1.007276
"531404"	965.497024	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M-H"	-1.007276
"906653"	321.160824	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-H"	-1.007276
"52642"	660.355471	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M-2H+NH4"	16.019271
"489652"	982.523571	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M-2H+NH4"	16.019271
"867818"	338.187371	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-2H+NH4"	16.019271
"33533"	665.310866	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M-2H+Na"	20.974666
"476374"	987.478966	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M-2H+Na"	20.974666
"849315"	343.142766	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-2H+Na"	20.974666
"1625898"	343.142766	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Na-2H"	20.974666
"100244"	339.149163	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M-H+Cl"	33.962126
"546367"	500.233213	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M-H+Cl"	33.962126
"939882"	178.065113	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-H+Cl"	33.962126
"278439"	679.305602	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+Cl"	34.969402
"667581"	1001.473702	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+Cl"	34.969402
"1279984"	357.137502	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Cl"	34.969402
"21449"	681.284806	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M-2H+K"	36.948606
"466475"	1003.452906	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M-2H+K"	36.948606
"838807"	359.116706	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-2H+K"	36.948606
"1558286"	359.116706	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+K-2H"	36.948606
"944711"	367.166294	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-H+HCOOH"	44.998194
"362927"	689.334401	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+HCOOH-H"	44.998201
"347171"	703.350051	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+Hac-H"	59.013851
"1493821"	381.181951	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Hac-H"	59.013851
"963189"	389.148251	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-H+NaCOOH"	66.980151
"119753"	357.137502	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+2Cl"	69.938804
"551050"	518.221552	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+2Cl"	69.938804
"1030300"	196.053452	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2Cl"	69.938804
"1247691"	401.086985	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Br"	78.918885
"1311235"	403.142972	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Cl+HCOOH"	80.974872
"1325451"	425.124929	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Cl+NaCOOH"	102.956829
"916507"	435.153686	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M-H+CF3COOH"	112.985586
"1296502"	471.130364	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Cl+CF3COOH"	148.962264
"1374663"	287.155424	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H-2H2O"	-35.012676
"1389972"	305.1654	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H-H2O"	-17.0027
"291845"	645.343476	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+H"	1.007276
"680986"	967.511576	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+H"	1.007276
"1355147"	323.175376	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H"	1.007276
"130224"	323.175376	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+2H"	2.014552
"576345"	484.259426	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+2H"	2.014552
"1050247"	162.091326	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2H"	2.014552
"210859"	215.786009333333	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+3H"	3.021828
"650055"	323.175376	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+3H"	3.021828
"1167452"	108.396642666667	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+3H"	3.021828
"429631"	662.370023	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+NH4"	18.033823
"788803"	984.538123	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+NH4"	18.033823
"1684405"	340.201923	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+NH4"	18.033823
"332684"	331.6886495	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+H+NH4"	19.041099
"729113"	492.7726995	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+H+NH4"	19.041099
"1482568"	170.6045995	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H+NH4"	19.041099
"403435"	667.325418	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+Na"	22.989218
"761150"	989.493518	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+Na"	22.989218
"1612528"	345.157318	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Na"	22.989218
"319288"	334.166347	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+H+Na"	23.996494
"712803"	495.250397	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+H+Na"	23.996494
"1468810"	173.082297	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H+Na"	23.996494
"1060961"	115.723956666667	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2H+Na"	25.00377
"1263735"	355.201586	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+CH3OH+H"	33.033486
"379033"	683.299358	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+K"	38.963158
"742218"	1005.467458	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+K"	38.963158
"1543178"	361.131258	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+K"	38.963158
"306919"	342.153317	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+H+K"	39.970434
"697155"	503.237367	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+H+K"	39.970434
"1449882"	181.069267	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H+K"	39.970434
"237387"	686.370026	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+ACN+H"	42.033826
"1215560"	364.201926	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+ACN+H"	42.033826
"1202730"	182.604601	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+ACN+2H"	43.041102
"197788"	689.30736	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+2Na-H"	44.97116
"637351"	1011.47546	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+2Na-H"	44.97116
"1146780"	367.13926	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2Na-H"	44.97116
"183060"	345.157318	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+2Na"	45.978436
"621526"	506.241368	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+2Na"	45.978436
"1119930"	184.073268	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2Na"	45.978436
"1403818"	123.051270666667	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H+2Na"	46.985712
"1435568"	369.180846	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H+HCOOH"	47.012746
"222711"	350.19034	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+3H2O+2H"	56.04448
"1517339"	383.23289	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+IsoProp+H"	61.06479
"412650"	353.144288	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+Na+K"	61.952376
"780218"	514.228338	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+Na+K"	61.952376
"1675455"	192.060238	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Na+K"	61.952376
"263068"	708.351968	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+ACN+Na"	64.015768
"1235774"	386.183868	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+ACN+Na"	64.015768
"1724298"	386.207393	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+NH4+HCOOH"	64.039293
"1186733"	130.378584666667	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+3Na"	68.967654
"1656628"	391.162788	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Na+HCOOH"	68.994688
"165672"	721.25524	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+2K-H"	76.91904
"606323"	1043.42334	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+2K-H"	76.91904
"1087563"	399.08714	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2K-H"	76.91904
"144377"	361.131258	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"2M+2K"	77.926316
"586129"	522.215308	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"3M+2K"	77.926316
"1075015"	200.047208	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2K"	77.926316
"1104945"	401.101692	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2K+H"	78.933592
"1346798"	401.189307	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+DMSO+H"	79.021207
"1017518"	405.228476	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2ACN+H"	83.060376
"1534552"	406.222108	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+IsoProp+Na+H"	84.054008
"1003182"	203.117876	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+2ACN+2H"	84.067652
"1599876"	407.136728	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+K+HCOOH"	84.968628
"1425537"	437.168238	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+H+CF3COOH"	115.000138
"1159104"	223.631151	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+3ACN+2H"	125.094202
"1703187"	454.194785	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+NH4+CF3COOH"	132.026685
"1646493"	459.15018	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+Na+CF3COOH"	136.98208
"1572305"	475.12412	"C09207"	"Gelsemine"	"C20H22N2O2"	"322.1681"	"M+K+CF3COOH"	152.95602
"808138"	652.2897	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M"	0
"975112"	633.27131	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-H2O-H"	-19.01839
"67728"	433.852524	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M-3H"	-3.021828
"513850"	651.282424	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M-3H"	-3.021828
"889464"	216.422624	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-3H"	-3.021828
"12416"	651.282424	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M-2H"	-2.014552
"453069"	977.427274	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M-2H"	-2.014552
"824310"	325.137574	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-2H"	-2.014552
"88674"	1303.572124	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M-H"	-1.007276
"522765"	1955.861824	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M-H"	-1.007276
"899471"	651.282424	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-H"	-1.007276
"47324"	1320.598671	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M-2H+NH4"	16.019271
"487690"	1972.888371	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M-2H+NH4"	16.019271
"865741"	668.308971	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-2H+NH4"	16.019271
"33642"	1325.554066	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M-2H+Na"	20.974666
"472151"	1977.843766	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M-2H+Na"	20.974666
"849015"	673.264366	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-2H+Na"	20.974666
"1621635"	673.264366	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Na-2H"	20.974666
"100354"	669.270763	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M-H+Cl"	33.962126
"543197"	995.415613	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M-H+Cl"	33.962126
"939992"	343.125913	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-H+Cl"	33.962126
"279642"	1339.548802	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+Cl"	34.969402
"667691"	1991.838502	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+Cl"	34.969402
"1274628"	687.259102	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Cl"	34.969402
"22653"	1341.528006	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M-2H+K"	36.948606
"463304"	1993.817706	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M-2H+K"	36.948606
"837824"	689.238306	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-2H+K"	36.948606
"1558032"	689.238306	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+K-2H"	36.948606
"943726"	697.287894	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-H+HCOOH"	44.998194
"363037"	1349.577601	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+HCOOH-H"	44.998201
"346921"	1363.593251	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+Hac-H"	59.013851
"1493931"	711.303551	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Hac-H"	59.013851
"961113"	719.269851	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-H+NaCOOH"	66.980151
"119863"	687.259102	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+2Cl"	69.938804
"550106"	1013.403952	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+2Cl"	69.938804
"1027130"	361.114252	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2Cl"	69.938804
"1246708"	731.208585	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Br"	78.918885
"1309159"	733.264572	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Cl+HCOOH"	80.974872
"1325561"	755.246529	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Cl+NaCOOH"	102.956829
"918804"	765.275286	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M-H+CF3COOH"	112.985586
"1293332"	801.251964	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Cl+CF3COOH"	148.962264
"1372587"	617.277024	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H-2H2O"	-35.012676
"1388989"	635.287	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H-H2O"	-17.0027
"284301"	1305.586676	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+H"	1.007276
"678909"	1957.876376	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+H"	1.007276
"1356351"	653.296976	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H"	1.007276
"128147"	653.296976	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+2H"	2.014552
"576455"	979.441826	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+2H"	2.014552
"1050357"	327.152126	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2H"	2.014552
"208052"	435.867076	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+3H"	3.021828
"649437"	653.296976	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+3H"	3.021828
"1165377"	218.437176	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+3H"	3.021828
"427556"	1322.613223	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+NH4"	18.033823
"786726"	1974.902923	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+NH4"	18.033823
"1681962"	670.323523	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+NH4"	18.033823
"332428"	661.8102495	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+H+NH4"	19.041099
"725943"	987.9550995	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+H+NH4"	19.041099
"1481586"	335.6653995	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H+NH4"	19.041099
"399173"	1327.568618	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+Na"	22.989218
"761261"	1979.858318	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+Na"	22.989218
"1612640"	675.278918	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Na"	22.989218
"324862"	664.287947	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+H+Na"	23.996494
"711817"	990.432797	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+H+Na"	23.996494
"1466002"	338.143097	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H+Na"	23.996494
"1058883"	225.76449	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2H+Na"	25.00377
"1261658"	685.323186	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+CH3OH+H"	33.033486
"377926"	1343.542558	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+K"	38.963158
"738838"	1995.832258	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+K"	38.963158
"1543288"	691.252858	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+K"	38.963158
"307029"	672.274917	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+H+K"	39.970434
"700544"	998.419767	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+H+K"	39.970434
"1449992"	346.130067	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H+K"	39.970434
"237133"	1346.613226	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+ACN+H"	42.033826
"1214577"	694.323526	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+ACN+H"	42.033826
"1201747"	347.665401	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+ACN+2H"	43.041102
"196805"	1349.55056	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+2Na-H"	44.97116
"634182"	2001.84026	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+2Na-H"	44.97116
"1146324"	697.26086	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2Na-H"	44.97116
"183170"	675.278918	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+2Na"	45.978436
"621636"	1001.423768	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+2Na"	45.978436
"1123320"	349.134068	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2Na"	45.978436
"1403564"	233.091804	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H+2Na"	46.985712
"1435678"	699.302446	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H+HCOOH"	47.012746
"223186"	680.31194	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+3H2O+2H"	56.04448
"1517449"	713.35449	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+IsoProp+H"	61.06479
"411666"	683.265888	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+Na+K"	61.952376
"782514"	1009.410738	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+Na+K"	61.952376
"1675565"	357.121038	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Na+K"	61.952376
"260992"	1368.595168	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+ACN+Na"	64.015768
"1236977"	716.305468	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+ACN+Na"	64.015768
"1722586"	716.328993	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+NH4+HCOOH"	64.039293
"1186843"	240.419118	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+3Na"	68.967654
"1657831"	721.284388	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Na+HCOOH"	68.994688
"163596"	1381.49844	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+2K-H"	76.91904
"602061"	2033.78814	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+2K-H"	76.91904
"1086580"	729.20874	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2K-H"	76.91904
"147766"	691.252858	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"2M+2K"	77.926316
"586232"	1017.397708	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"3M+2K"	77.926316
"1071841"	365.108008	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2K"	77.926316
"1102862"	731.223292	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2K+H"	78.933592
"1340340"	731.310907	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+DMSO+H"	79.021207
"1020301"	735.350076	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2ACN+H"	83.060376
"1536847"	736.343708	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+IsoProp+Na+H"	84.054008
"1004385"	368.178676	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+2ACN+2H"	84.067652
"1599985"	737.258328	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+K+HCOOH"	84.968628
"1426740"	767.289838	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+H+CF3COOH"	115.000138
"1154840"	388.691951	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+3ACN+2H"	125.094202
"1703297"	784.316385	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+NH4+CF3COOH"	132.026685
"1643323"	789.27178	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+Na+CF3COOH"	136.98208
"1572414"	805.24572	"C09208"	"Haplophytine"	"C37H40N4O7"	"652.2897"	"M+K+CF3COOH"	152.95602
"808248"	182.0844	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M"	0
"978502"	163.06601	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-H2O-H"	-19.01839
"67838"	120.382324	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M-3H"	-3.021828
"515053"	181.077124	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M-3H"	-3.021828
"889574"	59.687524	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-3H"	-3.021828
"12526"	181.077124	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M-2H"	-2.014552
"453788"	272.119324	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M-2H"	-2.014552
"825513"	90.034924	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-2H"	-2.014552
"92063"	363.161524	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M-H"	-1.007276
"526155"	545.245924	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M-H"	-1.007276
"898488"	181.077124	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-H"	-1.007276
"49341"	380.188071	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M-2H+NH4"	16.019271
"487806"	562.272471	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M-2H+NH4"	16.019271
"865365"	198.103671	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-2H+NH4"	16.019271
"32051"	385.143466	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M-2H+Na"	20.974666
"471892"	567.227866	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M-2H+Na"	20.974666
"850023"	203.059066	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-2H+Na"	20.974666
"1622473"	203.059066	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Na-2H"	20.974666
"100464"	199.065463	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M-H+Cl"	33.962126
"546586"	290.107663	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M-H+Cl"	33.962126
"936821"	108.023263	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-H+Cl"	33.962126
"279752"	399.138202	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+Cl"	34.969402
"671081"	581.222602	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+Cl"	34.969402
"1278018"	217.053802	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Cl"	34.969402
"20575"	401.117406	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M-2H+K"	36.948606
"463415"	583.201806	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M-2H+K"	36.948606
"835746"	219.033006	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-2H+K"	36.948606
"1558502"	219.033006	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+K-2H"	36.948606
"945296"	227.082594	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-H+HCOOH"	44.998194
"364966"	409.167001	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+HCOOH-H"	44.998201
"346908"	423.182651	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+Hac-H"	59.013851
"1493673"	241.098251	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Hac-H"	59.013851
"963409"	249.064551	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-H+NaCOOH"	66.980151
"119972"	217.053802	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+2Cl"	69.938804
"554064"	308.096002	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+2Cl"	69.938804
"1026145"	126.011602	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2Cl"	69.938804
"1247911"	261.003285	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Br"	78.918885
"1311455"	263.059272	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Cl+HCOOH"	80.974872
"1328951"	285.041229	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Cl+NaCOOH"	102.956829
"924381"	295.069986	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M-H+CF3COOH"	112.985586
"1293442"	331.046664	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Cl+CF3COOH"	148.962264
"1369417"	147.071724	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H-2H2O"	-35.012676
"1385819"	165.0817	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H-H2O"	-17.0027
"285504"	365.176076	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+H"	1.007276
"679020"	547.260476	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+H"	1.007276
"1358648"	183.091676	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H"	1.007276
"128622"	183.091676	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+2H"	2.014552
"575472"	274.133876	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+2H"	2.014552
"1050831"	92.049476	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2H"	2.014552
"208892"	122.396876	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+3H"	3.021828
"648454"	183.091676	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+3H"	3.021828
"1164393"	61.702076	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+3H"	3.021828
"426573"	382.202623	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+NH4"	18.033823
"787201"	564.287023	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+NH4"	18.033823
"1682804"	200.118223	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+NH4"	18.033823
"332903"	191.6049495	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+H+NH4"	19.041099
"726781"	282.6471495	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+H+NH4"	19.041099
"1482061"	100.5627495	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H+NH4"	19.041099
"398192"	387.158018	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+Na"	22.989218
"765747"	569.242418	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+Na"	22.989218
"1613845"	205.073618	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Na"	22.989218
"326069"	194.082647	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+H+Na"	23.996494
"715207"	285.124847	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+H+Na"	23.996494
"1471214"	103.040447	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H+Na"	23.996494
"1061180"	69.02939	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2H+Na"	25.00377
"1263955"	215.117886	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+CH3OH+H"	33.033486
"382529"	403.131958	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+K"	38.963158
"739396"	585.216358	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+K"	38.963158
"1540602"	221.047558	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+K"	38.963158
"306044"	202.069617	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+H+K"	39.970434
"695185"	293.111817	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+H+K"	39.970434
"1450098"	111.027417	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H+K"	39.970434
"237970"	406.202626	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+ACN+H"	42.033826
"1214688"	224.118226	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+ACN+H"	42.033826
"1201857"	112.562751	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+ACN+2H"	43.041102
"195822"	409.13996	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+2Na-H"	44.97116
"633199"	591.22436	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+2Na-H"	44.97116
"1143634"	227.05556	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2Na-H"	44.97116
"181093"	205.073618	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+2Na"	45.978436
"621746"	296.115818	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+2Na"	45.978436
"1120877"	114.031418	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2Na"	45.978436
"1406590"	76.356704	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H+2Na"	46.985712
"1435423"	229.097146	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H+HCOOH"	47.012746
"225118"	210.10664	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+3H2O+2H"	56.04448
"1517559"	243.14919	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+IsoProp+H"	61.06479
"411776"	213.060588	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+Na+K"	61.952376
"778249"	304.102788	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+Na+K"	61.952376
"1672395"	122.018388	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Na+K"	61.952376
"260009"	428.184568	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+ACN+Na"	64.015768
"1236723"	246.100168	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+ACN+Na"	64.015768
"1721603"	246.123693	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+NH4+HCOOH"	64.039293
"1186953"	83.684018	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+3Na"	68.967654
"1657575"	251.079088	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Na+HCOOH"	68.994688
"165893"	441.08784	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+2K-H"	76.91904
"602171"	623.17224	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+2K-H"	76.91904
"1088876"	259.00344	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2K-H"	76.91904
"147876"	221.047558	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"2M+2K"	77.926316
"582210"	312.089758	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"3M+2K"	77.926316
"1070857"	130.005358	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2K"	77.926316
"1102971"	261.017992	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2K+H"	78.933592
"1341543"	261.105607	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+DMSO+H"	79.021207
"1019074"	265.144776	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2ACN+H"	83.060376
"1538657"	266.138408	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+IsoProp+Na+H"	84.054008
"1004132"	133.076026	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+2ACN+2H"	84.067652
"1600824"	267.053028	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+K+HCOOH"	84.968628
"1427943"	297.084538	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+H+CF3COOH"	115.000138
"1156042"	153.589301	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+3ACN+2H"	125.094202
"1705594"	314.111085	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+NH4+CF3COOH"	132.026685
"1643433"	319.06648	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+Na+CF3COOH"	136.98208
"1572524"	335.04042	"C09209"	"Harman"	"C12H10N2"	"182.0844"	"M+K+CF3COOH"	152.95602
"808358"	246.0892	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M"	0
"978612"	227.07081	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H2O-H"	-19.01839
"67948"	163.052190666667	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-3H"	-3.021828
"516257"	245.081924	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-3H"	-3.021828
"889684"	81.0224573333333	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-3H"	-3.021828
"12636"	245.081924	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H"	-2.014552
"454261"	368.126524	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H"	-2.014552
"825623"	122.037324	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H"	-2.014552
"91080"	491.171124	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-H"	-1.007276
"525172"	737.260324	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-H"	-1.007276
"898963"	245.081924	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H"	-1.007276
"55164"	508.197671	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H+NH4"	16.019271
"491442"	754.286871	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H+NH4"	16.019271
"867055"	262.108471	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H+NH4"	16.019271
"34957"	513.153066	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H+Na"	20.974666
"475611"	759.242266	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H+Na"	20.974666
"853413"	267.063866	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H+Na"	20.974666
"1625135"	267.063866	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na-2H"	20.974666
"101667"	263.070263	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-H+Cl"	33.962126
"545606"	386.114863	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-H+Cl"	33.962126
"938026"	140.025663	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+Cl"	33.962126
"279862"	527.147802	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Cl"	34.969402
"669005"	773.237002	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+Cl"	34.969402
"1277035"	281.058602	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl"	34.969402
"26153"	529.127006	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H+K"	36.948606
"463525"	775.216206	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H+K"	36.948606
"835127"	283.037806	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H+K"	36.948606
"1558254"	283.037806	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K-2H"	36.948606
"950510"	291.087394	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+HCOOH"	44.998194
"363258"	537.176601	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+HCOOH-H"	44.998201
"351515"	551.192251	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Hac-H"	59.013851
"1495974"	305.103051	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Hac-H"	59.013851
"962426"	313.069351	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+NaCOOH"	66.980151
"120082"	281.058602	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2Cl"	69.938804
"554175"	404.103202	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2Cl"	69.938804
"1025162"	158.014002	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2Cl"	69.938804
"1246927"	325.008085	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Br"	78.918885
"1311565"	327.064072	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl+HCOOH"	80.974872
"1332341"	349.046029	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl+NaCOOH"	102.956829
"926072"	359.074786	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+CF3COOH"	112.985586
"1293551"	395.051464	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl+CF3COOH"	148.962264
"1372808"	211.076524	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H-2H2O"	-35.012676
"1383618"	229.0865	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H-H2O"	-17.0027
"284884"	493.185676	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H"	1.007276
"682410"	739.274876	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H"	1.007276
"1356572"	247.096476	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H"	1.007276
"130555"	247.096476	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2H"	2.014552
"577769"	370.141076	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2H"	2.014552
"1045474"	124.051876	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2H"	2.014552
"216656"	165.066742666667	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+3H"	3.021828
"652935"	247.096476	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+3H"	3.021828
"1167785"	83.0370093333333	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+3H"	3.021828
"428502"	510.212223	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+NH4"	18.033823
"787675"	756.301423	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+NH4"	18.033823
"1682427"	264.123023	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+NH4"	18.033823
"332283"	255.6097495	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H+NH4"	19.041099
"726528"	378.6543495	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H+NH4"	19.041099
"1478523"	132.5651495	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+NH4"	19.041099
"401582"	515.167618	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Na"	22.989218
"764764"	761.256818	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+Na"	22.989218
"1610674"	269.078418	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na"	22.989218
"325084"	258.087447	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H+Na"	23.996494
"716410"	381.132047	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H+Na"	23.996494
"1471325"	135.042847	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+Na"	23.996494
"1062385"	90.3643233333333	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2H+Na"	25.00377
"1266251"	279.122686	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+CH3OH+H"	33.033486
"381911"	531.141558	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+K"	38.963158
"742543"	777.230758	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+K"	38.963158
"1542414"	285.052358	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K"	38.963158
"299715"	266.074417	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H+K"	39.970434
"694202"	389.119017	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H+K"	39.970434
"1450208"	143.029817	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+K"	39.970434
"242088"	534.212226	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+ACN+H"	42.033826
"1216984"	288.123026	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+ACN+H"	42.033826
"1196133"	144.565151	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+ACN+2H"	43.041102
"194838"	537.14956	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2Na-H"	44.97116
"632216"	783.23876	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2Na-H"	44.97116
"1144837"	291.06036	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2Na-H"	44.97116
"181203"	269.078418	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2Na"	45.978436
"618576"	392.123018	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2Na"	45.978436
"1122081"	146.033818	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2Na"	45.978436
"1408884"	97.6916373333333	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+2Na"	46.985712
"1438812"	293.101946	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+HCOOH"	47.012746
"225228"	274.11144	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+3H2O+2H"	56.04448
"1515482"	307.15399	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+IsoProp+H"	61.06479
"412979"	277.065388	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Na+K"	61.952376
"780548"	400.109988	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+Na+K"	61.952376
"1674328"	154.020788	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na+K"	61.952376
"261578"	556.194168	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+ACN+Na"	64.015768
"1235741"	310.104968	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+ACN+Na"	64.015768
"1721714"	310.128493	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+NH4+HCOOH"	64.039293
"1185606"	105.018951333333	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+3Na"	68.967654
"1658414"	315.083888	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na+HCOOH"	68.994688
"164181"	569.09744	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2K-H"	76.91904
"600095"	815.18664	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2K-H"	76.91904
"1090078"	323.00824	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2K-H"	76.91904
"143612"	285.052358	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2K"	77.926316
"582195"	408.096958	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2K"	77.926316
"1069504"	162.007758	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2K"	77.926316
"1103080"	325.022792	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2K+H"	78.933592
"1341653"	325.110407	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+DMSO+H"	79.021207
"1017849"	329.149576	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2ACN+H"	83.060376
"1535974"	330.143208	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+IsoProp+Na+H"	84.054008
"1001325"	165.078426	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2ACN+2H"	84.067652
"1600934"	331.057828	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K+HCOOH"	84.968628
"1428053"	361.089338	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+CF3COOH"	115.000138
"1156152"	185.591701	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+3ACN+2H"	125.094202
"1705704"	378.115885	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+NH4+CF3COOH"	132.026685
"1643543"	383.07128	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na+CF3COOH"	136.98208
"1572635"	399.04522	"C09210"	"(-)-Columbianetin;(R)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K+CF3COOH"	152.95602
"808468"	518.3158	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M"	0
"982002"	499.29741	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-H2O-H"	-19.01839
"68058"	344.536590666667	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M-3H"	-3.021828
"517339"	517.308524	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M-3H"	-3.021828
"889794"	171.764657333333	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-3H"	-3.021828
"12746"	517.308524	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M-2H"	-2.014552
"455661"	776.466424	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M-2H"	-2.014552
"826826"	258.150624	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-2H"	-2.014552
"91190"	1035.624324	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M-H"	-1.007276
"525282"	1553.940124	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M-H"	-1.007276
"903083"	517.308524	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-H"	-1.007276
"53086"	1052.650871	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M-2H+NH4"	16.019271
"494833"	1570.966671	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M-2H+NH4"	16.019271
"869354"	534.335071	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-2H+NH4"	16.019271
"37253"	1057.606266	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M-2H+Na"	20.974666
"477908"	1575.922066	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M-2H+Na"	20.974666
"855709"	539.290466	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-2H+Na"	20.974666
"1627432"	539.290466	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Na-2H"	20.974666
"101772"	535.296863	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M-H+Cl"	33.962126
"546809"	794.454763	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M-H+Cl"	33.962126
"937043"	276.138963	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-H+Cl"	33.962126
"278881"	1071.601002	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+Cl"	34.969402
"668023"	1589.916802	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+Cl"	34.969402
"1284799"	553.285202	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Cl"	34.969402
"22982"	1073.580206	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M-2H+K"	36.948606
"462539"	1591.896006	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M-2H+K"	36.948606
"838154"	555.264406	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-2H+K"	36.948606
"1560551"	555.264406	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+K-2H"	36.948606
"946247"	563.313994	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-H+HCOOH"	44.998194
"368838"	1081.629801	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+HCOOH-H"	44.998201
"347374"	1095.645451	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+Hac-H"	59.013851
"1497179"	577.329651	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Hac-H"	59.013851
"962536"	585.295951	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-H+NaCOOH"	66.980151
"122379"	553.285202	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+2Cl"	69.938804
"554286"	812.443102	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+2Cl"	69.938804
"1027460"	294.127302	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2Cl"	69.938804
"1251414"	597.234685	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Br"	78.918885
"1310585"	599.290672	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Cl+HCOOH"	80.974872
"1331360"	621.272629	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Cl+NaCOOH"	102.956829
"924968"	631.301386	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M-H+CF3COOH"	112.985586
"1296944"	667.278064	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Cl+CF3COOH"	148.962264
"1367693"	483.303124	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H-2H2O"	-35.012676
"1382957"	501.3131	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H-H2O"	-17.0027
"284389"	1037.638876	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+H"	1.007276
"677418"	1555.954676	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+H"	1.007276
"1359963"	519.323076	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H"	1.007276
"132851"	519.323076	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+2H"	2.014552
"575691"	778.480976	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+2H"	2.014552
"1046678"	260.165176	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2H"	2.014552
"214579"	346.551142666667	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+3H"	3.021828
"651953"	519.323076	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+3H"	3.021828
"1167894"	173.779209333333	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+3H"	3.021828
"426427"	1054.665423	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+NH4"	18.033823
"788147"	1572.981223	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+NH4"	18.033823
"1684115"	536.349623	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+NH4"	18.033823
"334215"	527.8363495	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+H+NH4"	19.041099
"725909"	786.9942495	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+H+NH4"	19.041099
"1481549"	268.6784495	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H+NH4"	19.041099
"397679"	1059.620818	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+Na"	22.989218
"761592"	1577.936618	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+Na"	22.989218
"1612971"	541.305018	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Na"	22.989218
"325195"	530.314047	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+H+Na"	23.996494
"714336"	789.471947	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+H+Na"	23.996494
"1475812"	271.156147	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H+Na"	23.996494
"1063589"	181.106523333333	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2H+Na"	25.00377
"1266361"	551.349286	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+CH3OH+H"	33.033486
"379473"	1075.594758	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+K"	38.963158
"745937"	1593.910558	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+K"	38.963158
"1543618"	557.278958	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+K"	38.963158
"300433"	538.301017	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+H+K"	39.970434
"694677"	797.458917	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+H+K"	39.970434
"1450319"	279.143117	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H+K"	39.970434
"242198"	1078.665426	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+ACN+H"	42.033826
"1217096"	560.349626	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+ACN+H"	42.033826
"1202077"	280.678451	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+ACN+2H"	43.041102
"198230"	1081.60276	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+2Na-H"	44.97116
"638886"	1599.91856	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+2Na-H"	44.97116
"1142395"	563.28696	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2Na-H"	44.97116
"187030"	541.305018	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+2Na"	45.978436
"626709"	800.462918	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+2Na"	45.978436
"1126566"	282.147118	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2Na"	45.978436
"1406810"	188.433837333333	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H+2Na"	46.985712
"1436010"	565.328546	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H+HCOOH"	47.012746
"226434"	546.33804	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+3H2O+2H"	56.04448
"1514499"	579.38059	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+IsoProp+H"	61.06479
"415277"	549.291988	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+Na+K"	61.952376
"775187"	808.449888	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+Na+K"	61.952376
"1672614"	290.134088	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Na+K"	61.952376
"262778"	1100.647368	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+ACN+Na"	64.015768
"1235486"	582.331568	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+ACN+Na"	64.015768
"1722551"	582.355093	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+NH4+HCOOH"	64.039293
"1183892"	195.761151333333	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+3Na"	68.967654
"1655971"	587.310488	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Na+HCOOH"	68.994688
"162832"	1113.55064	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+2K-H"	76.91904
"601298"	1631.86644	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+2K-H"	76.91904
"1087273"	595.23484	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2K-H"	76.91904
"144815"	557.278958	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"2M+2K"	77.926316
"582305"	816.436858	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"3M+2K"	77.926316
"1071075"	298.121058	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2K"	77.926316
"1100634"	597.249392	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2K+H"	78.933592
"1336777"	597.337007	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+DMSO+H"	79.021207
"1014675"	601.376176	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2ACN+H"	83.060376
"1530610"	602.369808	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+IsoProp+Na+H"	84.054008
"995966"	301.191726	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+2ACN+2H"	84.067652
"1599586"	603.284428	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+K+HCOOH"	84.968628
"1427070"	633.315938	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+H+CF3COOH"	115.000138
"1154076"	321.705001	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+3ACN+2H"	125.094202
"1705814"	650.342485	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+NH4+CF3COOH"	132.026685
"1645840"	655.29788	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+Na+CF3COOH"	136.98208
"1572745"	671.27182	"C09211"	"Hodgkinsine"	"C33H38N6"	"518.3158"	"M+K+CF3COOH"	152.95602
"808578"	236.0586	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M"	0
"978832"	217.04021	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-H2O-H"	-19.01839
"68168"	156.365124	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M-3H"	-3.021828
"514290"	235.051324	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M-3H"	-3.021828
"889904"	77.678924	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-3H"	-3.021828
"12856"	235.051324	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M-2H"	-2.014552
"455210"	353.080624	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M-2H"	-2.014552
"826937"	117.022024	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-2H"	-2.014552
"86928"	471.109924	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M-H"	-1.007276
"531953"	707.168524	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M-H"	-1.007276
"901007"	235.051324	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-H"	-1.007276
"53196"	488.136471	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M-2H+NH4"	16.019271
"492757"	724.195071	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M-2H+NH4"	16.019271
"871651"	252.077871	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-2H+NH4"	16.019271
"36271"	493.091866	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M-2H+Na"	20.974666
"476925"	729.150466	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M-2H+Na"	20.974666
"856913"	257.033266	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-2H+Na"	20.974666
"1627542"	257.033266	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Na-2H"	20.974666
"100790"	253.039663	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M-H+Cl"	33.962126
"546919"	371.068963	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M-H+Cl"	33.962126
"939339"	135.010363	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-H+Cl"	33.962126
"281177"	507.086602	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+Cl"	34.969402
"667039"	743.145202	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+Cl"	34.969402
"1286001"	271.028002	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Cl"	34.969402
"23092"	509.065806	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M-2H+K"	36.948606
"460464"	745.124406	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M-2H+K"	36.948606
"837168"	273.007206	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-2H+K"	36.948606
"1557743"	273.007206	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+K-2H"	36.948606
"945264"	281.056794	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-H+HCOOH"	44.998194
"363481"	517.115401	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+HCOOH-H"	44.998201
"351738"	531.131051	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+Hac-H"	59.013851
"1496195"	295.072451	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Hac-H"	59.013851
"964833"	303.038751	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-H+NaCOOH"	66.980151
"119209"	271.028002	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+2Cl"	69.938804
"552209"	389.057302	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+2Cl"	69.938804
"1029756"	152.998702	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2Cl"	69.938804
"1250427"	314.977485	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Br"	78.918885
"1311788"	317.033472	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Cl+HCOOH"	80.974872
"1331470"	339.015429	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Cl+NaCOOH"	102.956829
"921432"	349.044186	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M-H+CF3COOH"	112.985586
"1297054"	385.020864	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Cl+CF3COOH"	148.962264
"1367055"	201.045924	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H-2H2O"	-35.012676
"1382782"	219.0559	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H-H2O"	-17.0027
"284134"	473.124476	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+H"	1.007276
"678258"	709.183076	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+H"	1.007276
"1360073"	237.065876	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H"	1.007276
"134054"	237.065876	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+2H"	2.014552
"575801"	355.095176	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+2H"	2.014552
"1046788"	119.036576	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2H"	2.014552
"214689"	158.379676	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+3H"	3.021828
"653156"	237.065876	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+3H"	3.021828
"1168004"	79.693476	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+3H"	3.021828
"427265"	490.151023	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+NH4"	18.033823
"787892"	726.209623	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+NH4"	18.033823
"1683859"	254.092423	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+NH4"	18.033823
"333596"	245.5791495	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+H+NH4"	19.041099
"726383"	363.6084495	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+H+NH4"	19.041099
"1481660"	127.5498495	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H+NH4"	19.041099
"399613"	495.106418	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+Na"	22.989218
"759879"	731.165018	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+Na"	22.989218
"1610896"	259.047818	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Na"	22.989218
"320931"	248.056847	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+H+Na"	23.996494
"714445"	366.086147	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+H+Na"	23.996494
"1468268"	130.027547	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H+Na"	23.996494
"1058233"	87.02079	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2H+Na"	25.00377
"1265378"	269.092086	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+CH3OH+H"	33.033486
"378734"	511.080358	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+K"	38.963158
"744954"	747.138958	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+K"	38.963158
"1549195"	275.021758	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+K"	38.963158
"300543"	256.043817	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+H+K"	39.970434
"694424"	374.073117	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+H+K"	39.970434
"1449700"	138.014517	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H+K"	39.970434
"241215"	514.151026	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+ACN+H"	42.033826
"1215020"	278.092426	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+ACN+H"	42.033826
"1197813"	139.549851	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+ACN+2H"	43.041102
"193965"	517.08836	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+2Na-H"	44.97116
"637903"	753.14696	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+2Na-H"	44.97116
"1142505"	281.02976	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2Na-H"	44.97116
"187260"	259.047818	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+2Na"	45.978436
"627305"	377.077118	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+2Na"	45.978436
"1125583"	141.018518	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2Na"	45.978436
"1405827"	94.348104	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H+2Na"	46.985712
"1433570"	283.071346	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H+HCOOH"	47.012746
"227634"	264.08084	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+3H2O+2H"	56.04448
"1514609"	297.12339	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+IsoProp+H"	61.06479
"414294"	267.034788	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+Na+K"	61.952376
"774207"	385.064088	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+Na+K"	61.952376
"1670537"	149.005488	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Na+K"	61.952376
"262158"	536.132968	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+ACN+Na"	64.015768
"1236324"	300.074368	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+ACN+Na"	64.015768
"1720838"	300.097893	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+NH4+HCOOH"	64.039293
"1184001"	101.675418	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+3Na"	68.967654
"1654988"	305.053288	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Na+HCOOH"	68.994688
"160755"	549.03624	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+2K-H"	76.91904
"601408"	785.09484	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+2K-H"	76.91904
"1089205"	312.97764	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2K-H"	76.91904
"144925"	275.021758	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"2M+2K"	77.926316
"581444"	393.051058	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"3M+2K"	77.926316
"1071185"	156.992458	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2K"	77.926316
"1102204"	314.992192	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2K+H"	78.933592
"1337497"	315.079807	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+DMSO+H"	79.021207
"1014785"	319.118976	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2ACN+H"	83.060376
"1528534"	320.112608	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+IsoProp+Na+H"	84.054008
"992796"	160.063126	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+2ACN+2H"	84.067652
"1599696"	321.027228	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+K+HCOOH"	84.968628
"1426814"	351.058738	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+H+CF3COOH"	115.000138
"1154186"	180.576401	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+3ACN+2H"	125.094202
"1705924"	368.085285	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+NH4+CF3COOH"	132.026685
"1645950"	373.04068	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+Na+CF3COOH"	136.98208
"1573219"	389.01462	"C09212"	"11-Hydroxycanthin-6-one"	"C14H8N2O2"	"236.0586"	"M+K+CF3COOH"	152.95602
"808688"	246.1368	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M"	0
"982222"	227.11841	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-H2O-H"	-19.01839
"70465"	163.083924	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M-3H"	-3.021828
"512214"	245.129524	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M-3H"	-3.021828
"884546"	81.038324	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-3H"	-3.021828
"8589"	245.129524	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M-2H"	-2.014552
"455120"	368.197924	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M-2H"	-2.014552
"829233"	122.061124	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-2H"	-2.014552
"92505"	491.266324	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M-H"	-1.007276
"528783"	737.403124	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M-H"	-1.007276
"900024"	245.129524	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-H"	-1.007276
"55494"	508.292871	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M-2H+NH4"	16.019271
"492867"	754.429671	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M-2H+NH4"	16.019271
"870668"	262.156071	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-2H+NH4"	16.019271
"38569"	513.248266	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M-2H+Na"	20.974666
"475941"	759.385066	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M-2H+Na"	20.974666
"857023"	267.111466	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-2H+Na"	20.974666
"1622549"	267.111466	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Na-2H"	20.974666
"97254"	263.117863	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M-H+Cl"	33.962126
"537553"	386.186263	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M-H+Cl"	33.962126
"929609"	140.049463	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-H+Cl"	33.962126
"271447"	527.243002	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+Cl"	34.969402
"667150"	773.379802	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+Cl"	34.969402
"1283926"	281.106202	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Cl"	34.969402
"23202"	529.222206	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M-2H+K"	36.948606
"460576"	775.359006	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M-2H+K"	36.948606
"837282"	283.085406	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-2H+K"	36.948606
"1562958"	283.085406	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+K-2H"	36.948606
"947562"	291.134994	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-H+HCOOH"	44.998194
"369060"	537.271801	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+HCOOH-H"	44.998201
"352942"	551.287451	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+Hac-H"	59.013851
"1499587"	305.150651	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Hac-H"	59.013851
"964944"	313.116951	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-H+NaCOOH"	66.980151
"123693"	281.106202	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+2Cl"	69.938804
"561067"	404.174602	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+2Cl"	69.938804
"1035335"	158.037802	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2Cl"	69.938804
"1250537"	325.055685	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Br"	78.918885
"1309711"	327.111672	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Cl+HCOOH"	80.974872
"1331580"	349.093629	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Cl+NaCOOH"	102.956829
"925189"	359.122386	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M-H+CF3COOH"	112.985586
"1296071"	395.099064	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Cl+CF3COOH"	148.962264
"1372046"	211.124124	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H-2H2O"	-35.012676
"1383711"	229.1341	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H-H2O"	-17.0027
"284854"	493.280876	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+H"	1.007276
"682741"	739.417676	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+H"	1.007276
"1360182"	247.144076	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H"	1.007276
"133070"	247.144076	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+2H"	2.014552
"579191"	370.212476	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+2H"	2.014552
"1046898"	124.075676	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2H"	2.014552
"215893"	165.098476	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+3H"	3.021828
"656547"	247.144076	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+3H"	3.021828
"1173581"	83.052876	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+3H"	3.021828
"425917"	510.307423	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+NH4"	18.033823
"788367"	756.444223	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+NH4"	18.033823
"1683606"	264.170623	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+NH4"	18.033823
"333706"	255.6573495	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+H+NH4"	19.041099
"725034"	378.7257495	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+H+NH4"	19.041099
"1482136"	132.5889495	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H+NH4"	19.041099
"398992"	515.262818	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+Na"	22.989218
"759624"	761.399618	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+Na"	22.989218
"1611004"	269.126018	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Na"	22.989218
"318853"	258.135047	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+H+Na"	23.996494
"716742"	381.203447	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+H+Na"	23.996494
"1471656"	135.066647	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H+Na"	23.996494
"1058344"	90.38019	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2H+Na"	25.00377
"1264394"	279.170286	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+CH3OH+H"	33.033486
"379695"	531.236758	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+K"	38.963158
"743970"	777.373558	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+K"	38.963158
"1542745"	285.099958	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+K"	38.963158
"298581"	266.122017	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+H+K"	39.970434
"692346"	389.190417	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+H+K"	39.970434
"1449445"	143.053617	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H+K"	39.970434
"240597"	534.307426	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+ACN+H"	42.033826
"1218407"	288.170626	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+ACN+H"	42.033826
"1198287"	144.588951	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+ACN+2H"	43.041102
"193707"	537.24476	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+2Na-H"	44.97116
"640200"	783.38156	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+2Na-H"	44.97116
"1142615"	291.10796	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2Na-H"	44.97116
"186522"	269.126018	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+2Na"	45.978436
"626933"	392.194418	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+2Na"	45.978436
"1130439"	146.057618	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2Na"	45.978436
"1409217"	97.707504	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H+2Na"	46.985712
"1434773"	293.149546	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H+HCOOH"	47.012746
"227744"	274.15904	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+3H2O+2H"	56.04448
"1512897"	307.20159	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+IsoProp+H"	61.06479
"415497"	277.112988	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+Na+K"	61.952376
"773587"	400.181388	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+Na+K"	61.952376
"1669552"	154.044588	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Na+K"	61.952376
"262268"	556.289368	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+ACN+Na"	64.015768
"1234247"	310.152568	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+ACN+Na"	64.015768
"1717668"	310.176093	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+NH4+HCOOH"	64.039293
"1181925"	105.034818	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+3Na"	68.967654
"1654005"	315.131488	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Na+HCOOH"	68.994688
"160865"	569.19264	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+2K-H"	76.91904
"601518"	815.32944	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+2K-H"	76.91904
"1090406"	323.05584	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2K-H"	76.91904
"141872"	285.099958	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"2M+2K"	77.926316
"581632"	408.168358	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"3M+2K"	77.926316
"1072388"	162.031558	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2K"	77.926316
"1101221"	325.070392	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2K+H"	78.933592
"1337968"	325.158007	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+DMSO+H"	79.021207
"1011614"	329.197176	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2ACN+H"	83.060376
"1528644"	330.190808	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+IsoProp+Na+H"	84.054008
"993999"	165.102226	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+2ACN+2H"	84.067652
"1591786"	331.105428	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+K+HCOOH"	84.968628
"1424008"	361.136938	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+H+CF3COOH"	115.000138
"1154296"	185.615501	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+3ACN+2H"	125.094202
"1699473"	378.163485	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+NH4+CF3COOH"	132.026685
"1646060"	383.11888	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+Na+CF3COOH"	136.98208
"1573329"	399.09282	"C09213"	"Hypaphorine;Lenticin"	"C14H18N2O2"	"246.1368"	"M+K+CF3COOH"	152.95602
"810986"	310.2045	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M"	0
"975772"	291.18611	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-H2O-H"	-19.01839
"71668"	205.795724	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M-3H"	-3.021828
"512324"	309.197224	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M-3H"	-3.021828
"882469"	102.394224	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-3H"	-3.021828
"3231"	309.197224	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M-2H"	-2.014552
"452635"	464.299474	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M-2H"	-2.014552
"829343"	154.094974	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-2H"	-2.014552
"90428"	619.401724	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M-H"	-1.007276
"528893"	929.606224	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M-H"	-1.007276
"903414"	309.197224	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-H"	-1.007276
"55604"	636.428271	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M-2H+NH4"	16.019271
"493341"	946.632771	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M-2H+NH4"	16.019271
"870778"	326.223771	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-2H+NH4"	16.019271
"38679"	641.383666	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M-2H+Na"	20.974666
"476051"	951.588166	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M-2H+Na"	20.974666
"853852"	331.179166	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-2H+Na"	20.974666
"1622659"	331.179166	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Na-2H"	20.974666
"97363"	327.185563	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M-H+Cl"	33.962126
"536205"	482.287813	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M-H+Cl"	33.962126
"929354"	172.083313	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-H+Cl"	33.962126
"270464"	655.378402	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+Cl"	34.969402
"668353"	965.582902	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+Cl"	34.969402
"1279663"	345.173902	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Cl"	34.969402
"23312"	657.357606	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M-2H+K"	36.948606
"460685"	967.562106	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M-2H+K"	36.948606
"836299"	347.153106	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-2H+K"	36.948606
"1559788"	347.153106	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+K-2H"	36.948606
"946579"	355.202694	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-H+HCOOH"	44.998194
"366983"	665.407201	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+HCOOH-H"	44.998201
"348678"	679.422851	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+Hac-H"	59.013851
"1499697"	369.218351	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Hac-H"	59.013851
"965054"	377.184651	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-H+NaCOOH"	66.980151
"123803"	345.173902	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+2Cl"	69.938804
"553887"	500.276152	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+2Cl"	69.938804
"1027791"	190.071652	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2Cl"	69.938804
"1250649"	389.123385	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Br"	78.918885
"1308728"	391.179372	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Cl+HCOOH"	80.974872
"1331690"	413.161329	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Cl+NaCOOH"	102.956829
"923840"	423.190086	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M-H+CF3COOH"	112.985586
"1293994"	459.166764	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Cl+CF3COOH"	148.962264
"1373249"	275.191824	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H-2H2O"	-35.012676
"1384550"	293.2018	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H-H2O"	-17.0027
"284964"	621.416276	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+H"	1.007276
"677747"	931.620776	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+H"	1.007276
"1361386"	311.211776	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H"	1.007276
"129899"	311.211776	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+2H"	2.014552
"573834"	466.314026	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+2H"	2.014552
"1045916"	156.109526	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2H"	2.014552
"218069"	207.810276	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+3H"	3.021828
"656657"	311.211776	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+3H"	3.021828
"1173691"	104.408776	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+3H"	3.021828
"428578"	638.442823	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+NH4"	18.033823
"787386"	948.647323	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+NH4"	18.033823
"1684810"	328.238323	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+NH4"	18.033823
"334182"	319.7250495	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+H+NH4"	19.041099
"725874"	474.8272995	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+H+NH4"	19.041099
"1482247"	164.6227995	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H+NH4"	19.041099
"399834"	643.398218	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+Na"	22.989218
"761921"	953.602718	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+Na"	22.989218
"1611114"	333.193718	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Na"	22.989218
"321149"	322.202747	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+H+Na"	23.996494
"714665"	477.304997	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+H+Na"	23.996494
"1470673"	167.100497	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H+Na"	23.996494
"1056267"	111.73609	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2H+Na"	25.00377
"1264504"	343.237986	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+CH3OH+H"	33.033486
"380896"	659.372158	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+K"	38.963158
"746267"	969.576658	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+K"	38.963158
"1545041"	349.167658	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+K"	38.963158
"299012"	330.189717	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+H+K"	39.970434
"692452"	485.291967	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+H+K"	39.970434
"1448461"	175.087467	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H+K"	39.970434
"241435"	662.442826	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+ACN+H"	42.033826
"1215602"	352.238326	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+ACN+H"	42.033826
"1199126"	176.622801	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+ACN+2H"	43.041102
"195275"	665.38016	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+2Na-H"	44.97116
"637031"	975.58466	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+2Na-H"	44.97116
"1144672"	355.17566	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2Na-H"	44.97116
"184559"	333.193718	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+2Na"	45.978436
"625948"	488.295968	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+2Na"	45.978436
"1128719"	178.091468	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2Na"	45.978436
"1406045"	119.063404	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H+2Na"	46.985712
"1438161"	357.217246	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H+HCOOH"	47.012746
"226760"	338.22674	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+3H2O+2H"	56.04448
"1513736"	371.26929	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+IsoProp+H"	61.06479
"414514"	341.180688	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+Na+K"	61.952376
"772239"	496.282938	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+Na+K"	61.952376
"1670757"	186.078438	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Na+K"	61.952376
"261649"	684.424768	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+ACN+Na"	64.015768
"1234357"	374.220268	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+ACN+Na"	64.015768
"1717778"	374.243793	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+NH4+HCOOH"	64.039293
"1182401"	126.390718	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+3Na"	68.967654
"1654115"	379.199188	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Na+HCOOH"	68.994688
"160975"	697.32804	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+2K-H"	76.91904
"599441"	1007.53254	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+2K-H"	76.91904
"1087967"	387.12354	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2K-H"	76.91904
"142108"	349.167658	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"2M+2K"	77.926316
"583612"	504.269908	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"3M+2K"	77.926316
"1070313"	194.065408	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2K"	77.926316
"1101697"	389.138092	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2K+H"	78.933592
"1336986"	389.225707	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+DMSO+H"	79.021207
"1008440"	393.264876	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2ACN+H"	83.060376
"1532036"	394.258508	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+IsoProp+Na+H"	84.054008
"994109"	197.136076	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+2ACN+2H"	84.067652
"1594082"	395.173128	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+K+HCOOH"	84.968628
"1428130"	425.204638	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+H+CF3COOH"	115.000138
"1152219"	217.649351	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+3ACN+2H"	125.094202
"1699583"	442.231185	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+NH4+CF3COOH"	132.026685
"1646170"	447.18658	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+Na+CF3COOH"	136.98208
"1578543"	463.16052	"C09214"	"Ibogaine"	"C20H26N2O"	"310.2045"	"M+K+CF3COOH"	152.95602
"811096"	280.1939	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M"	0
"975882"	261.17551	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-H2O-H"	-19.01839
"71778"	185.788657333333	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M-3H"	-3.021828
"511340"	279.186624	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M-3H"	-3.021828
"883672"	92.3906906666667	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-3H"	-3.021828
"3341"	279.186624	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M-2H"	-2.014552
"445090"	419.283574	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M-2H"	-2.014552
"820705"	139.089674	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-2H"	-2.014552
"90538"	559.380524	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M-H"	-1.007276
"525723"	839.574424	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M-H"	-1.007276
"897328"	279.186624	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-H"	-1.007276
"55714"	576.407071	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M-2H+NH4"	16.019271
"491628"	856.600971	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M-2H+NH4"	16.019271
"867972"	296.213171	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-2H+NH4"	16.019271
"35873"	581.362466	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M-2H+Na"	20.974666
"473244"	861.556366	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M-2H+Na"	20.974666
"850682"	301.168566	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-2H+Na"	20.974666
"1622769"	301.168566	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Na-2H"	20.974666
"97109"	297.174963	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M-H+Cl"	33.962126
"545058"	437.271913	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M-H+Cl"	33.962126
"938575"	157.078013	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-H+Cl"	33.962126
"276037"	595.357202	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+Cl"	34.969402
"666276"	875.551102	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+Cl"	34.969402
"1276493"	315.163302	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Cl"	34.969402
"23422"	597.336406	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M-2H+K"	36.948606
"460794"	877.530306	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M-2H+K"	36.948606
"836408"	317.142506	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-2H+K"	36.948606
"1559898"	317.142506	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+K-2H"	36.948606
"948875"	325.192094	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-H+HCOOH"	44.998194
"368186"	605.386001	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+HCOOH-H"	44.998201
"348788"	619.401651	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+Hac-H"	59.013851
"1494461"	339.207751	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Hac-H"	59.013851
"961884"	347.174051	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-H+NaCOOH"	66.980151
"114073"	315.163302	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+2Cl"	69.938804
"554725"	455.260252	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+2Cl"	69.938804
"1027900"	175.066352	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2Cl"	69.938804
"1255134"	359.112785	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Br"	78.918885
"1311019"	361.168772	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Cl+HCOOH"	80.974872
"1327424"	383.150729	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Cl+NaCOOH"	102.956829
"921761"	393.179486	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M-H+CF3COOH"	112.985586
"1294104"	429.156164	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Cl+CF3COOH"	148.962264
"1367527"	245.181224	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H-2H2O"	-35.012676
"1383322"	263.1912	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H-H2O"	-17.0027
"284708"	561.395076	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+H"	1.007276
"677492"	841.588976	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+H"	1.007276
"1353842"	281.201176	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H"	1.007276
"131100"	281.201176	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+2H"	2.014552
"573945"	421.298126	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+2H"	2.014552
"1047119"	141.104226	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2H"	2.014552
"217936"	187.803209333333	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+3H"	3.021828
"651663"	281.201176	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+3H"	3.021828
"1170884"	94.4052426666667	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+3H"	3.021828
"427595"	578.421623	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+NH4"	18.033823
"787132"	858.615523	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+NH4"	18.033823
"1684192"	298.227723	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+NH4"	18.033823
"335386"	289.7144495	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+H+NH4"	19.041099
"724527"	429.8113995	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+H+NH4"	19.041099
"1482358"	149.6174995	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H+NH4"	19.041099
"398851"	583.377018	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+Na"	22.989218
"759844"	863.570918	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+Na"	22.989218
"1610131"	303.183118	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Na"	22.989218
"321259"	292.192147	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+H+Na"	23.996494
"715868"	432.289097	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+H+Na"	23.996494
"1467504"	152.095197	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H+Na"	23.996494
"1056377"	101.732556666667	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2H+Na"	25.00377
"1264614"	313.227386	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+CH3OH+H"	33.033486
"382100"	599.350958	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+K"	38.963158
"747470"	879.544858	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+K"	38.963158
"1545151"	319.157058	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+K"	38.963158
"299288"	300.179117	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+H+K"	39.970434
"693655"	440.276067	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+H+K"	39.970434
"1449665"	160.082167	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H+K"	39.970434
"240453"	602.421626	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+ACN+H"	42.033826
"1214253"	322.227726	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+ACN+H"	42.033826
"1201419"	161.617501	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+ACN+2H"	43.041102
"192834"	605.35896	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+2Na-H"	44.97116
"638234"	885.55286	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+2Na-H"	44.97116
"1143201"	325.16506	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2Na-H"	44.97116
"181753"	303.183118	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+2Na"	45.978436
"627029"	443.280068	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+2Na"	45.978436
"1128829"	163.086168	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2Na"	45.978436
"1406155"	109.059870666667	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H+2Na"	46.985712
"1438271"	327.206646	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H+HCOOH"	47.012746
"227964"	308.21614	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+3H2O+2H"	56.04448
"1513846"	341.25869	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+IsoProp+H"	61.06479
"414624"	311.170088	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+Na+K"	61.952376
"781093"	451.267038	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+Na+K"	61.952376
"1667217"	171.073138	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Na+K"	61.952376
"259572"	624.403568	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+ACN+Na"	64.015768
"1228999"	344.209668	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+ACN+Na"	64.015768
"1716792"	344.233193	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+NH4+HCOOH"	64.039293
"1184330"	116.387184666667	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+3Na"	68.967654
"1653131"	349.188588	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Na+HCOOH"	68.994688
"158532"	637.30684	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+2K-H"	76.91904
"598090"	917.50074	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+2K-H"	76.91904
"1087349"	357.11294	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2K-H"	76.91904
"143069"	319.157058	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"2M+2K"	77.926316
"582629"	459.254008	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"3M+2K"	77.926316
"1070423"	179.060108	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2K"	77.926316
"1101077"	359.127492	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2K+H"	78.933592
"1338190"	359.215107	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+DMSO+H"	79.021207
"1008550"	363.254276	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2ACN+H"	83.060376
"1531053"	364.247908	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+IsoProp+Na+H"	84.054008
"994219"	182.130776	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+2ACN+2H"	84.067652
"1593099"	365.162528	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+K+HCOOH"	84.968628
"1427510"	395.194038	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+H+CF3COOH"	115.000138
"1152329"	202.644051	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+3ACN+2H"	125.094202
"1697383"	412.220585	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+NH4+CF3COOH"	132.026685
"1646280"	417.17598	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+Na+CF3COOH"	136.98208
"1578653"	433.14992	"C09215"	"Ibogamine"	"C19H24N2"	"280.1939"	"M+K+CF3COOH"	152.95602
"812299"	352.0583	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M"	0
"976356"	333.03991	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-H2O-H"	-19.01839
"71888"	233.698257333333	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M-3H"	-3.021828
"511450"	351.051024	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M-3H"	-3.021828
"880988"	116.345490666667	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-3H"	-3.021828
"2358"	351.051024	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M-2H"	-2.014552
"447388"	527.080174	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M-2H"	-2.014552
"821543"	175.021874	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-2H"	-2.014552
"88462"	703.109324	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M-H"	-1.007276
"523646"	1055.167624	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M-H"	-1.007276
"897802"	351.051024	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-H"	-1.007276
"55824"	720.135871	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M-2H+NH4"	16.019271
"491374"	1072.194171	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M-2H+NH4"	16.019271
"866258"	368.077571	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-2H+NH4"	16.019271
"35010"	725.091266	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M-2H+Na"	20.974666
"474326"	1077.149566	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M-2H+Na"	20.974666
"851154"	373.032966	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-2H+Na"	20.974666
"1622149"	373.032966	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Na-2H"	20.974666
"95762"	369.039363	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M-H+Cl"	33.962126
"544074"	545.068513	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M-H+Cl"	33.962126
"938684"	193.010213	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-H+Cl"	33.962126
"276147"	739.086002	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+Cl"	34.969402
"666386"	1091.144302	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+Cl"	34.969402
"1277696"	387.027702	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Cl"	34.969402
"26812"	741.065206	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M-2H+K"	36.948606
"467468"	1093.123506	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M-2H+K"	36.948606
"838707"	389.006906	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-2H+K"	36.948606
"1563288"	389.006906	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+K-2H"	36.948606
"950080"	397.056494	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-H+HCOOH"	44.998194
"366110"	749.114801	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+HCOOH-H"	44.998201
"349991"	763.130451	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+Hac-H"	59.013851
"1494815"	411.072151	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Hac-H"	59.013851
"962357"	419.038451	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-H+NaCOOH"	66.980151
"117463"	387.027702	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+2Cl"	69.938804
"554109"	563.056852	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+2Cl"	69.938804
"1024364"	210.998552	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2Cl"	69.938804
"1253056"	430.977185	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Br"	78.918885
"1311129"	433.033172	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Cl+HCOOH"	80.974872
"1327534"	455.015129	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Cl+NaCOOH"	102.956829
"917496"	465.043886	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M-H+CF3COOH"	112.985586
"1290927"	501.020564	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Cl+CF3COOH"	148.962264
"1368000"	317.045624	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H-2H2O"	-35.012676
"1383671"	335.0556	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H-H2O"	-17.0027
"283478"	705.123876	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+H"	1.007276
"676508"	1057.182176	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+H"	1.007276
"1353220"	353.065576	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H"	1.007276
"130116"	353.065576	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+2H"	2.014552
"567855"	529.094726	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+2H"	2.014552
"1040302"	177.036426	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2H"	2.014552
"210026"	235.712809333333	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+3H"	3.021828
"649586"	353.065576	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+3H"	3.021828
"1167712"	118.360042666667	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+3H"	3.021828
"425151"	722.150423	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+NH4"	18.033823
"786061"	1074.208723	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+NH4"	18.033823
"1682844"	370.092123	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+NH4"	18.033823
"330754"	361.5788495	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+H+NH4"	19.041099
"723788"	537.6079995	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+H+NH4"	19.041099
"1478823"	185.5496995	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H+NH4"	19.041099
"394947"	727.105818	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+Na"	22.989218
"756063"	1079.164118	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+Na"	22.989218
"1605133"	375.047518	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Na"	22.989218
"315901"	364.056547	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+H+Na"	23.996494
"714884"	540.085697	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+H+Na"	23.996494
"1465427"	188.027397	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H+Na"	23.996494
"1054300"	125.687356666667	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2H+Na"	25.00377
"1262538"	385.091786	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+CH3OH+H"	33.033486
"377955"	743.079758	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+K"	38.963158
"741017"	1095.138058	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+K"	38.963158
"1544163"	391.021458	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+K"	38.963158
"299525"	372.043517	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+H+K"	39.970434
"692181"	548.072667	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+H+K"	39.970434
"1445881"	196.014367	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H+K"	39.970434
"236429"	746.150426	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+ACN+H"	42.033826
"1211324"	394.092126	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+ACN+H"	42.033826
"1195451"	197.549701	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+ACN+2H"	43.041102
"191119"	749.08776	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+2Na-H"	44.97116
"638344"	1101.14606	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+2Na-H"	44.97116
"1146228"	397.02946	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2Na-H"	44.97116
"181863"	375.047518	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+2Na"	45.978436
"620328"	551.076668	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+2Na"	45.978436
"1129303"	199.018368	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2Na"	45.978436
"1406265"	133.014670666667	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H+2Na"	46.985712
"1438381"	399.071046	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H+HCOOH"	47.012746
"231356"	380.08054	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+3H2O+2H"	56.04448
"1516142"	413.12309	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+IsoProp+H"	61.06479
"414734"	383.034488	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+Na+K"	61.952376
"780109"	559.063638	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+Na+K"	61.952376
"1670974"	207.005338	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Na+K"	61.952376
"258589"	768.132368	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+ACN+Na"	64.015768
"1231295"	416.074068	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+ACN+Na"	64.015768
"1717997"	416.097593	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+NH4+HCOOH"	64.039293
"1183347"	140.341984666667	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+3Na"	68.967654
"1654335"	421.052988	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Na+HCOOH"	68.994688
"161196"	781.03564	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+2K-H"	76.91904
"598201"	1133.09394	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+2K-H"	76.91904
"1088552"	428.97734	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2K-H"	76.91904
"142207"	391.021458	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"2M+2K"	77.926316
"584926"	567.050608	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"3M+2K"	77.926316
"1072720"	214.992308	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2K"	77.926316
"1100823"	430.991892	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2K+H"	78.933592
"1337449"	431.079507	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+DMSO+H"	79.021207
"1008660"	435.118676	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2ACN+H"	83.060376
"1530070"	436.112308	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+IsoProp+Na+H"	84.054008
"998705"	218.062976	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+2ACN+2H"	84.067652
"1593209"	437.026928	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+K+HCOOH"	84.968628
"1428712"	467.058438	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+H+CF3COOH"	115.000138
"1155719"	238.576251	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+3ACN+2H"	125.094202
"1703083"	484.084985	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+NH4+CF3COOH"	132.026685
"1640922"	489.04038	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+Na+CF3COOH"	136.98208
"1578763"	505.01432	"C09216"	"Daphnoretin"	"C19H12O7"	"352.0583"	"M+K+CF3COOH"	152.95602
"812409"	326.1994	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M"	0
"982662"	307.18101	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-H2O-H"	-19.01839
"68718"	216.458990666667	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M-3H"	-3.021828
"512653"	325.192124	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M-3H"	-3.021828
"883893"	107.725857333333	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-3H"	-3.021828
"1738"	325.192124	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H"	-2.014552
"450778"	488.291824	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H"	-2.014552
"824204"	162.092424	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-2H"	-2.014552
"90758"	651.391524	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M-H"	-1.007276
"524850"	977.590924	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M-H"	-1.007276
"897912"	325.192124	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-H"	-1.007276
"53747"	668.418071	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H+NH4"	16.019271
"491849"	994.617471	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H+NH4"	16.019271
"871108"	342.218671	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-2H+NH4"	16.019271
"40103"	673.373466	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H+Na"	20.974666
"474559"	999.572866	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H+Na"	20.974666
"851996"	347.174066	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-2H+Na"	20.974666
"1625176"	347.174066	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Na-2H"	20.974666
"95873"	343.180463	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M-H+Cl"	33.962126
"546375"	506.280163	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M-H+Cl"	33.962126
"942523"	180.080763	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-H+Cl"	33.962126
"277350"	687.368202	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+Cl"	34.969402
"675001"	1013.567602	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+Cl"	34.969402
"1279993"	361.168802	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl"	34.969402
"26922"	689.347406	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M-2H+K"	36.948606
"467578"	1015.546806	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M-2H+K"	36.948606
"837723"	363.148006	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-2H+K"	36.948606
"1562305"	363.148006	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+K-2H"	36.948606
"950190"	371.197594	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-H+HCOOH"	44.998194
"366220"	697.397001	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+HCOOH-H"	44.998201
"349008"	711.412651	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+Hac-H"	59.013851
"1497112"	385.213251	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Hac-H"	59.013851
"963560"	393.179551	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-H+NaCOOH"	66.980151
"117572"	361.168802	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+2Cl"	69.938804
"556041"	524.268502	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+2Cl"	69.938804
"1028121"	198.069102	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2Cl"	69.938804
"1252072"	405.118285	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Br"	78.918885
"1314521"	407.174272	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl+HCOOH"	80.974872
"1323635"	429.156229	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl+NaCOOH"	102.956829
"918701"	439.184986	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M-H+CF3COOH"	112.985586
"1294317"	475.161664	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Cl+CF3COOH"	148.962264
"1376857"	291.186724	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H-2H2O"	-35.012676
"1385242"	309.1967	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H-H2O"	-17.0027
"285293"	653.406076	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+H"	1.007276
"678441"	979.605476	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+H"	1.007276
"1355520"	327.206676	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H"	1.007276
"128044"	327.206676	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+2H"	2.014552
"570888"	490.306376	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+2H"	2.014552
"1045153"	164.106976	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2H"	2.014552
"211959"	218.473542666667	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+3H"	3.021828
"648603"	327.206676	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+3H"	3.021828
"1168916"	109.740409333333	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+3H"	3.021828
"426723"	670.432623	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+NH4"	18.033823
"788081"	996.632023	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+NH4"	18.033823
"1683321"	344.233223	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+NH4"	18.033823
"330869"	335.7199495	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+H+NH4"	19.041099
"723372"	498.8196495	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+H+NH4"	19.041099
"1481485"	172.6202495	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H+NH4"	19.041099
"393846"	675.388018	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+Na"	22.989218
"755324"	1001.587418	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+Na"	22.989218
"1607068"	349.188618	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Na"	22.989218
"319293"	338.197647	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+H+Na"	23.996494
"709891"	501.297347	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+H+Na"	23.996494
"1467725"	175.097947	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H+Na"	23.996494
"1056596"	117.067723333333	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2H+Na"	25.00377
"1262648"	359.232886	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+CH3OH+H"	33.033486
"379767"	691.361958	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+K"	38.963158
"742222"	1017.561358	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+K"	38.963158
"1545368"	365.162558	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+K"	38.963158
"299268"	346.184617	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+H+K"	39.970434
"693513"	509.284317	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+H+K"	39.970434
"1446969"	183.084917	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H+K"	39.970434
"238121"	694.432626	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+ACN+H"	42.033826
"1211313"	368.233226	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+ACN+H"	42.033826
"1199450"	184.620251	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+ACN+2H"	43.041102
"191229"	697.36996	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+2Na-H"	44.97116
"642833"	1023.56936	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+2Na-H"	44.97116
"1146786"	371.17056	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2Na-H"	44.97116
"187319"	349.188618	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+2Na"	45.978436
"622625"	512.288318	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+2Na"	45.978436
"1122851"	186.088918	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2Na"	45.978436
"1404187"	124.395037333333	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H+2Na"	46.985712
"1437395"	373.212146	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H+HCOOH"	47.012746
"229279"	354.22164	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+3H2O+2H"	56.04448
"1515159"	387.26419	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+IsoProp+H"	61.06479
"417032"	357.175588	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+Na+K"	61.952376
"775845"	520.275288	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+Na+K"	61.952376
"1669992"	194.075888	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Na+K"	61.952376
"256509"	716.414568	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+ACN+Na"	64.015768
"1231406"	390.215168	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+ACN+Na"	64.015768
"1718106"	390.238693	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+NH4+HCOOH"	64.039293
"1184551"	131.722351333333	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+3Na"	68.967654
"1652256"	395.194088	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Na+HCOOH"	68.994688
"162399"	729.31784	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+2K-H"	76.91904
"598550"	1055.51724	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+2K-H"	76.91904
"1090847"	403.11844	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2K-H"	76.91904
"148758"	365.162558	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"2M+2K"	77.926316
"583942"	528.262258	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"3M+2K"	77.926316
"1072830"	202.062858	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2K"	77.926316
"1101907"	405.132992	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2K+H"	78.933592
"1338049"	405.220607	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+DMSO+H"	79.021207
"1009863"	409.259776	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2ACN+H"	83.060376
"1531273"	410.253408	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+IsoProp+Na+H"	84.054008
"999908"	205.133526	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+2ACN+2H"	84.067652
"1595506"	411.168028	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+K+HCOOH"	84.968628
"1426636"	441.199538	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+H+CF3COOH"	115.000138
"1160935"	225.646801	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+3ACN+2H"	125.094202
"1708662"	458.226085	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+NH4+CF3COOH"	132.026685
"1645407"	463.18148	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+Na+CF3COOH"	136.98208
"1575592"	479.15542	"C09217"	"Isoajmaline"	"C20H26N2O2"	"326.1994"	"M+K+CF3COOH"	152.95602
"803041"	810.4204	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M"	0
"982772"	791.40201	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-H2O-H"	-19.01839
"63845"	539.272990666667	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M-3H"	-3.021828
"509482"	809.413124	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M-3H"	-3.021828
"881208"	269.132857333333	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-3H"	-3.021828
"1483"	809.413124	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M-2H"	-2.014552
"449795"	1214.623324	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M-2H"	-2.014552
"822492"	404.202924	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-2H"	-2.014552
"86495"	1619.833524	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M-H"	-1.007276
"526053"	2430.253924	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M-H"	-1.007276
"900938"	809.413124	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-H"	-1.007276
"56046"	1636.860071	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M-2H+NH4"	16.019271
"491596"	2447.280471	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M-2H+NH4"	16.019271
"866480"	826.439671	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-2H+NH4"	16.019271
"32194"	1641.815466	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M-2H+Na"	20.974666
"475764"	2452.235866	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M-2H+Na"	20.974666
"849556"	831.395066	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-2H+Na"	20.974666
"1618967"	831.395066	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Na-2H"	20.974666
"100360"	827.401463	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M-H+Cl"	33.962126
"545393"	1232.611663	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M-H+Cl"	33.962126
"941821"	422.191263	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-H+Cl"	33.962126
"276367"	1655.810202	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+Cl"	34.969402
"674746"	2466.230602	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+Cl"	34.969402
"1279009"	845.389802	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Cl"	34.969402
"21565"	1657.789406	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M-2H+K"	36.948606
"468783"	2468.209806	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M-2H+K"	36.948606
"836739"	847.369006	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-2H+K"	36.948606
"1566788"	847.369006	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+K-2H"	36.948606
"950300"	855.418594	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-H+HCOOH"	44.998194
"366330"	1665.839001	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+HCOOH-H"	44.998201
"352398"	1679.854651	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+Hac-H"	59.013851
"1500502"	869.434251	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Hac-H"	59.013851
"962577"	877.400551	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-H+NaCOOH"	66.980151
"115130"	845.389802	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+2Cl"	69.938804
"553235"	1250.600002	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+2Cl"	69.938804
"1028231"	440.179602	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2Cl"	69.938804
"1245621"	889.339285	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Br"	78.918885
"1309164"	891.395272	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Cl+HCOOH"	80.974872
"1322287"	913.377229	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Cl+NaCOOH"	102.956829
"914438"	923.405986	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M-H+CF3COOH"	112.985586
"1291147"	959.382664	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Cl+CF3COOH"	148.962264
"1372593"	775.407724	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H-2H2O"	-35.012676
"1384623"	793.4177	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H-H2O"	-17.0027
"285040"	1621.848076	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+H"	1.007276
"676123"	2432.268476	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+H"	1.007276
"1353078"	811.427676	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H"	1.007276
"126329"	811.427676	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+2H"	2.014552
"568082"	1216.637876	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+2H"	2.014552
"1041982"	406.217476	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2H"	2.014552
"214986"	541.287542666667	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+3H"	3.021828
"650536"	811.427676	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+3H"	3.021828
"1168662"	271.147409333333	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+3H"	3.021828
"427562"	1638.874623	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+NH4"	18.033823
"786733"	2449.295023	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+NH4"	18.033823
"1683431"	828.454223	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+NH4"	18.033823
"331343"	819.9409495	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+H+NH4"	19.041099
"723768"	1225.1511495	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+H+NH4"	19.041099
"1478679"	414.7307495	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H+NH4"	19.041099
"393714"	1643.830018	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+Na"	22.989218
"754707"	2454.250418	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+Na"	22.989218
"1606085"	833.409618	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Na"	22.989218
"319403"	822.418647	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+H+Na"	23.996494
"712919"	1227.628847	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+H+Na"	23.996494
"1470022"	417.208447	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H+Na"	23.996494
"1057801"	278.474723333333	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2H+Na"	25.00377
"1262758"	843.453886	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+CH3OH+H"	33.033486
"385708"	1659.803958	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+K"	38.963158
"742332"	2470.224358	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+K"	38.963158
"1546571"	849.383558	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+K"	38.963158
"300104"	830.405617	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+H+K"	39.970434
"692163"	1235.615817	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+H+K"	39.970434
"1448173"	425.195417	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H+K"	39.970434
"237502"	1662.874626	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+ACN+H"	42.033826
"1211424"	852.454226	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+ACN+H"	42.033826
"1196281"	426.730751	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+ACN+2H"	43.041102
"192433"	1665.81196	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+2Na-H"	44.97116
"640754"	2476.23236	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+2Na-H"	44.97116
"1136605"	855.39156	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2Na-H"	44.97116
"182083"	833.409618	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+2Na"	45.978436
"617267"	1238.619818	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+2Na"	45.978436
"1120045"	428.199418	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2Na"	45.978436
"1403204"	285.802037333333	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H+2Na"	46.985712
"1438597"	857.433146	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H+HCOOH"	47.012746
"229388"	838.44264	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+3H2O+2H"	56.04448
"1515269"	871.48519	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+IsoProp+H"	61.06479
"416049"	841.396588	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+Na+K"	61.952376
"777048"	1246.606788	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+Na+K"	61.952376
"1669373"	436.186388	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Na+K"	61.952376
"257713"	1684.856568	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+ACN+Na"	64.015768
"1231513"	874.436168	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+ACN+Na"	64.015768
"1718214"	874.459693	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+NH4+HCOOH"	64.039293
"1186848"	293.129351333333	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+3Na"	68.967654
"1651392"	879.415088	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Na+HCOOH"	68.994688
"158251"	1697.75984	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+2K-H"	76.91904
"597932"	2508.18024	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+2K-H"	76.91904
"1090957"	887.33944	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2K-H"	76.91904
"148867"	849.383558	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"2M+2K"	77.926316
"584052"	1254.593758	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"3M+2K"	77.926316
"1074033"	444.173358	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2K"	77.926316
"1106150"	889.353992	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2K+H"	78.933592
"1341440"	889.441607	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+DMSO+H"	79.021207
"1011066"	893.480776	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2ACN+H"	83.060376
"1532476"	894.474408	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+IsoProp+Na+H"	84.054008
"996735"	447.244026	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+2ACN+2H"	84.067652
"1591240"	895.389028	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+K+HCOOH"	84.968628
"1424559"	925.420538	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+H+CF3COOH"	115.000138
"1160316"	467.757301	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+3ACN+2H"	125.094202
"1708772"	942.447085	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+NH4+CF3COOH"	132.026685
"1645517"	947.40248	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+Na+CF3COOH"	136.98208
"1573515"	963.37642	"C09218"	"Leurosidine;Vinrosidine"	"C46H58N4O9"	"810.4204"	"M+K+CF3COOH"	152.95602
"802787"	808.4047	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M"	0
"982882"	789.38631	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-H2O-H"	-19.01839
"64563"	537.929190666667	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M-3H"	-3.021828
"509592"	807.397424	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M-3H"	-3.021828
"881926"	268.460957333333	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-3H"	-3.021828
"2687"	807.397424	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M-2H"	-2.014552
"449905"	1211.599774	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M-2H"	-2.014552
"825518"	403.195074	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-2H"	-2.014552
"87698"	1615.802124	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M-H"	-1.007276
"528350"	2424.206824	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M-H"	-1.007276
"901048"	807.397424	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-H"	-1.007276
"51416"	1632.828671	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M-2H+NH4"	16.019271
"490976"	2441.233371	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M-2H+NH4"	16.019271
"865615"	824.423971	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-2H+NH4"	16.019271
"33760"	1637.784066	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M-2H+Na"	20.974666
"473322"	2446.188766	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M-2H+Na"	20.974666
"849663"	829.379366	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-2H+Na"	20.974666
"1619927"	829.379366	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Na-2H"	20.974666
"100470"	825.385763	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M-H+Cl"	33.962126
"546596"	1229.588113	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M-H+Cl"	33.962126
"940109"	421.183413	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-H+Cl"	33.962126
"279758"	1651.778802	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+Cl"	34.969402
"672183"	2460.183502	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+Cl"	34.969402
"1284586"	843.374102	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Cl"	34.969402
"23862"	1653.758006	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M-2H+K"	36.948606
"467799"	2462.162706	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M-2H+K"	36.948606
"834663"	845.353306	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-2H+K"	36.948606
"1565805"	845.353306	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+K-2H"	36.948606
"950410"	853.402894	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-H+HCOOH"	44.998194
"365344"	1661.807601	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+HCOOH-H"	44.998201
"354694"	1675.823251	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+Hac-H"	59.013851
"1498061"	867.418551	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Hac-H"	59.013851
"961229"	875.384851	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-H+NaCOOH"	66.980151
"112323"	843.374102	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+2Cl"	69.938804
"551155"	1247.576452	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+2Cl"	69.938804
"1027246"	439.171752	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2Cl"	69.938804
"1243541"	887.323585	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Br"	78.918885
"1309274"	889.379572	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Cl+HCOOH"	80.974872
"1320936"	911.361529	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Cl+NaCOOH"	102.956829
"911753"	921.390286	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M-H+CF3COOH"	112.985586
"1289191"	957.366964	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Cl+CF3COOH"	148.962264
"1370517"	773.392024	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H-2H2O"	-35.012676
"1384369"	791.402	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H-H2O"	-17.0027
"285150"	1617.816676	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+H"	1.007276
"679028"	2426.221376	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+H"	1.007276
"1351523"	809.411976	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H"	1.007276
"127900"	809.411976	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+2H"	2.014552
"567098"	1213.614326	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+2H"	2.014552
"1042091"	405.209626	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2H"	2.014552
"215097"	539.943742666667	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+3H"	3.021828
"650647"	809.411976	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+3H"	3.021828
"1168773"	270.475509333333	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+3H"	3.021828
"426215"	1634.843223	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+NH4"	18.033823
"786843"	2443.247923	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+NH4"	18.033823
"1683176"	826.438523	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+NH4"	18.033823
"332545"	817.9252495	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+H+NH4"	19.041099
"724971"	1222.1275995	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+H+NH4"	19.041099
"1478423"	413.7228995	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H+NH4"	19.041099
"394189"	1639.798618	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+Na"	22.989218
"757006"	2448.203318	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+Na"	22.989218
"1606198"	831.393918	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Na"	22.989218
"320607"	820.402947	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+H+Na"	23.996494
"711939"	1224.605297	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+H+Na"	23.996494
"1467946"	416.200597	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H+Na"	23.996494
"1060098"	277.802823333333	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2H+Na"	25.00377
"1260679"	841.438186	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+CH3OH+H"	33.033486
"384724"	1655.772558	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+K"	38.963158
"740257"	2464.177258	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+K"	38.963158
"1545588"	847.367858	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+K"	38.963158
"299851"	828.389917	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+H+K"	39.970434
"697743"	1232.592267	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+H+K"	39.970434
"1450105"	424.187567	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H+K"	39.970434
"239070"	1658.843226	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+ACN+H"	42.033826
"1214694"	850.438526	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+ACN+H"	42.033826
"1197485"	425.722901	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+ACN+2H"	43.041102
"193637"	1661.78056	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+2Na-H"	44.97116
"639773"	2470.18526	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+2Na-H"	44.97116
"1145586"	853.37586	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2Na-H"	44.97116
"185109"	831.393918	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+2Na"	45.978436
"619565"	1235.596268	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+2Na"	45.978436
"1123071"	427.191568	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2Na"	45.978436
"1406594"	285.130137333333	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H+2Na"	46.985712
"1438708"	855.417446	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H+HCOOH"	47.012746
"226214"	836.42694	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+3H2O+2H"	56.04448
"1516838"	869.46949	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+IsoProp+H"	61.06479
"412876"	839.380888	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+Na+K"	61.952376
"777161"	1243.583238	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+Na+K"	61.952376
"1673487"	435.178538	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Na+K"	61.952376
"253815"	1680.825168	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+ACN+Na"	64.015768
"1229437"	872.420468	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+ACN+Na"	64.015768
"1715040"	872.443993	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+NH4+HCOOH"	64.039293
"1181490"	292.457451333333	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+3Na"	68.967654
"1652838"	877.399388	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Na+HCOOH"	68.994688
"159334"	1693.72844	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+2K-H"	76.91904
"598648"	2502.13314	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+2K-H"	76.91904
"1089974"	885.32374	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2K-H"	76.91904
"146790"	847.367858	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"2M+2K"	77.926316
"585254"	1251.570208	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"3M+2K"	77.926316
"1073050"	443.165508	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2K"	77.926316
"1107353"	887.338292	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2K+H"	78.933592
"1341550"	887.425907	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+DMSO+H"	79.021207
"1010083"	891.465076	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2ACN+H"	83.060376
"1532585"	892.458708	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+IsoProp+Na+H"	84.054008
"996845"	446.236176	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+2ACN+2H"	84.067652
"1591350"	893.373328	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+K+HCOOH"	84.968628
"1424669"	923.404838	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+H+CF3COOH"	115.000138
"1160425"	466.749451	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+3ACN+2H"	125.094202
"1708882"	940.431385	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+NH4+CF3COOH"	132.026685
"1644533"	945.38678	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+Na+CF3COOH"	136.98208
"1572531"	961.36072	"C09219"	"Leurosine;Vinleurosine"	"C46H56N4O9"	"808.4047"	"M+K+CF3COOH"	152.95602
"802897"	331.1936	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M"	0
"982992"	312.17521	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-H2O-H"	-19.01839
"67953"	219.788457333333	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M-3H"	-3.021828
"509702"	330.186324	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M-3H"	-3.021828
"882036"	109.390590666667	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-3H"	-3.021828
"4984"	330.186324	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M-2H"	-2.014552
"448922"	495.783124	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M-2H"	-2.014552
"825628"	164.589524	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-2H"	-2.014552
"88902"	661.379924	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M-H"	-1.007276
"527367"	992.573524	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M-H"	-1.007276
"904074"	330.186324	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-H"	-1.007276
"51162"	678.406471	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M-2H+NH4"	16.019271
"491086"	1009.600071	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M-2H+NH4"	16.019271
"865361"	347.212871	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-2H+NH4"	16.019271
"32774"	683.361866	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M-2H+Na"	20.974666
"472456"	1014.555466	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M-2H+Na"	20.974666
"850015"	352.168266	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-2H+Na"	20.974666
"1620034"	352.168266	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Na-2H"	20.974666
"95111"	348.174663	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M-H+Cl"	33.962126
"541235"	513.771463	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M-H+Cl"	33.962126
"932562"	182.577863	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-H+Cl"	33.962126
"270025"	697.356602	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+Cl"	34.969402
"673384"	1028.550202	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+Cl"	34.969402
"1283603"	366.163002	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Cl"	34.969402
"23971"	699.335806	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M-2H+K"	36.948606
"463536"	1030.529406	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M-2H+K"	36.948606
"834771"	368.142206	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-2H+K"	36.948606
"1562635"	368.142206	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+K-2H"	36.948606
"948332"	376.191794	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-H+HCOOH"	44.998194
"366547"	707.385401	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+HCOOH-H"	44.998201
"351523"	721.401051	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+Hac-H"	59.013851
"1498170"	390.207451	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Hac-H"	59.013851
"962432"	398.173751	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-H+NaCOOH"	66.980151
"113525"	366.163002	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+2Cl"	69.938804
"550208"	531.759802	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+2Cl"	69.938804
"1024074"	200.566202	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2Cl"	69.938804
"1243650"	410.112485	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Br"	78.918885
"1304683"	412.168472	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Cl+HCOOH"	80.974872
"1321410"	434.150429	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Cl+NaCOOH"	102.956829
"914657"	444.179186	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M-H+CF3COOH"	112.985586
"1291367"	480.155864	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Cl+CF3COOH"	148.962264
"1367464"	296.180924	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H-2H2O"	-35.012676
"1383869"	314.1909	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H-H2O"	-17.0027
"282911"	663.394476	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+H"	1.007276
"676585"	994.588076	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+H"	1.007276
"1352318"	332.200876	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H"	1.007276
"126915"	332.200876	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+2H"	2.014552
"566474"	497.797676	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+2H"	2.014552
"1038923"	166.604076	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2H"	2.014552
"215205"	221.803009333333	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+3H"	3.021828
"650757"	332.200876	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+3H"	3.021828
"1171070"	111.405142666667	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+3H"	3.021828
"424615"	680.421023	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+NH4"	18.033823
"786219"	1011.614623	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+NH4"	18.033823
"1682310"	349.227423	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+NH4"	18.033823
"331440"	340.7141495	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+H+NH4"	19.041099
"723988"	506.3109495	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+H+NH4"	19.041099
"1478531"	175.1173495	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H+NH4"	19.041099
"393328"	685.376418	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+Na"	22.989218
"756023"	1016.570018	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+Na"	22.989218
"1603634"	354.182818	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Na"	22.989218
"317438"	343.191847	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+H+Na"	23.996494
"708769"	508.788647	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+H+Na"	23.996494
"1462587"	177.595047	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H+Na"	23.996494
"1055834"	118.732456666667	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2H+Na"	25.00377
"1258237"	364.227086	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+CH3OH+H"	33.033486
"380460"	701.350358	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+K"	38.963158
"740367"	1032.543958	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+K"	38.963158
"1540835"	370.156758	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+K"	38.963158
"300690"	351.178817	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+H+K"	39.970434
"696393"	516.775617	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+H+K"	39.970434
"1448392"	185.582017	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H+K"	39.970434
"238087"	704.421026	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+ACN+H"	42.033826
"1212618"	373.227426	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+ACN+H"	42.033826
"1197594"	187.117351	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+ACN+2H"	43.041102
"191561"	707.35836	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+2Na-H"	44.97116
"641706"	1038.55196	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+2Na-H"	44.97116
"1145090"	376.16476	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2Na-H"	44.97116
"177198"	354.182818	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+2Na"	45.978436
"615664"	519.779618	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+2Na"	45.978436
"1119901"	188.586018	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2Na"	45.978436
"1406704"	126.059770666667	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H+2Na"	46.985712
"1437725"	378.206346	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H+HCOOH"	47.012746
"225231"	359.21584	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+3H2O+2H"	56.04448
"1512206"	392.25839	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+IsoProp+H"	61.06479
"412986"	362.169788	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+Na+K"	61.952376
"778364"	527.766588	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+Na+K"	61.952376
"1673597"	196.572988	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Na+K"	61.952376
"257929"	726.402968	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+ACN+Na"	64.015768
"1229546"	395.209368	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+ACN+Na"	64.015768
"1716242"	395.232893	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+NH4+HCOOH"	64.039293
"1181600"	133.387084666667	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+3Na"	68.967654
"1653675"	400.188288	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Na+HCOOH"	68.994688
"158836"	739.30624	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+2K-H"	76.91904
"599122"	1070.49984	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+2K-H"	76.91904
"1090084"	408.11264	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2K-H"	76.91904
"143619"	370.156758	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"2M+2K"	77.926316
"583177"	535.753558	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"3M+2K"	77.926316
"1070971"	204.559958	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2K"	77.926316
"1103087"	410.127192	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2K+H"	78.933592
"1339473"	410.214807	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+DMSO+H"	79.021207
"1009099"	414.253976	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2ACN+H"	83.060376
"1531602"	415.247608	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+IsoProp+Na+H"	84.054008
"996955"	207.630626	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+2ACN+2H"	84.067652
"1592553"	416.162228	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+K+HCOOH"	84.968628
"1423686"	446.193738	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+H+CF3COOH"	115.000138
"1157256"	228.143901	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+3ACN+2H"	125.094202
"1708992"	463.220285	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+NH4+CF3COOH"	132.026685
"1644643"	468.17568	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+Na+CF3COOH"	136.98208
"1573735"	484.14962	"C09220"	"Mahanimbine;()-311-Dihydro-35-dimethyl-3-(4-methyl-3-pentenyl)pyrano32-acarbazole"	"C23H25NO"	"331.1936"	"M+K+CF3COOH"	152.95602
"804100"	353.1627	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M"	0
"986382"	334.14431	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-H2O-H"	-19.01839
"70250"	234.434524	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M-3H"	-3.021828
"509812"	352.155424	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M-3H"	-3.021828
"889799"	116.713624	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-3H"	-3.021828
"6188"	352.155424	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M-2H"	-2.014552
"451219"	528.736774	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M-2H"	-2.014552
"829018"	175.574074	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-2H"	-2.014552
"91199"	705.318124	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M-H"	-1.007276
"530759"	1058.480824	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M-H"	-1.007276
"904188"	352.155424	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-H"	-1.007276
"52003"	722.344671	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M-2H+NH4"	16.019271
"488643"	1075.507371	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M-2H+NH4"	16.019271
"867047"	369.181971	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-2H+NH4"	16.019271
"33855"	727.300066	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M-2H+Na"	20.974666
"473294"	1080.462766	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M-2H+Na"	20.974666
"850612"	374.137366	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-2H+Na"	20.974666
"1620873"	374.137366	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Na-2H"	20.974666
"95585"	370.143763	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M-H+Cl"	33.962126
"542438"	546.725113	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M-H+Cl"	33.962126
"932672"	193.562413	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-H+Cl"	33.962126
"270135"	741.294802	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+Cl"	34.969402
"673494"	1094.457502	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+Cl"	34.969402
"1281523"	388.132102	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Cl"	34.969402
"24081"	743.274006	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M-2H+K"	36.948606
"459272"	1096.436706	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M-2H+K"	36.948606
"834882"	390.111306	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-2H+K"	36.948606
"1562745"	390.111306	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+K-2H"	36.948606
"947349"	398.160894	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-H+HCOOH"	44.998194
"364469"	751.323601	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+HCOOH-H"	44.998201
"356006"	765.339251	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+Hac-H"	59.013851
"1498279"	412.176551	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Hac-H"	59.013851
"963634"	420.142851	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-H+NaCOOH"	66.980151
"114729"	388.132102	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+2Cl"	69.938804
"553560"	564.713452	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+2Cl"	69.938804
"1023818"	211.550752	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2Cl"	69.938804
"1243760"	432.081585	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Br"	78.918885
"1307302"	434.137572	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Cl+HCOOH"	80.974872
"1325892"	456.119529	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Cl+NaCOOH"	102.956829
"916951"	466.148286	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M-H+CF3COOH"	112.985586
"1290016"	502.124964	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Cl+CF3COOH"	148.962264
"1368303"	318.150024	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H-2H2O"	-35.012676
"1384343"	336.16	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H-H2O"	-17.0027
"283542"	707.332676	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+H"	1.007276
"675733"	1060.495376	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+H"	1.007276
"1351620"	354.169976	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H"	1.007276
"127755"	354.169976	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+2H"	2.014552
"566707"	530.751326	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+2H"	2.014552
"1041582"	177.588626	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2H"	2.014552
"215315"	236.449076	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+3H"	3.021828
"650868"	354.169976	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+3H"	3.021828
"1170087"	118.728176	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+3H"	3.021828
"426066"	724.359223	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+NH4"	18.033823
"787060"	1077.521923	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+NH4"	18.033823
"1681691"	371.196523	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+NH4"	18.033823
"332038"	362.6832495	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+H+NH4"	19.041099
"725920"	539.2645995	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+H+NH4"	19.041099
"1479007"	186.1018995	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H+NH4"	19.041099
"394045"	729.314618	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+Na"	22.989218
"756135"	1082.477318	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+Na"	22.989218
"1603865"	376.151918	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Na"	22.989218
"316454"	365.160947	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+H+Na"	23.996494
"707660"	541.742297	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+H+Na"	23.996494
"1461968"	188.579597	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H+Na"	23.996494
"1054851"	126.05549	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2H+Na"	25.00377
"1258712"	386.196186	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+CH3OH+H"	33.033486
"378138"	745.288558	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+K"	38.963158
"742663"	1098.451258	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+K"	38.963158
"1544713"	392.125858	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+K"	38.963158
"299707"	373.147917	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+H+K"	39.970434
"695411"	549.729267	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+H+K"	39.970434
"1448139"	196.566567	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H+K"	39.970434
"238926"	748.359226	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+ACN+H"	42.033826
"1213821"	395.196526	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+ACN+H"	42.033826
"1199891"	198.101901	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+ACN+2H"	43.041102
"193856"	751.29656	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+2Na-H"	44.97116
"641085"	1104.45926	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+2Na-H"	44.97116
"1144226"	398.13386	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2Na-H"	44.97116
"175485"	376.151918	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+2Na"	45.978436
"617230"	552.733268	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+2Na"	45.978436
"1120007"	199.570568	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2Na"	45.978436
"1402802"	133.382804	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H+2Na"	46.985712
"1437834"	400.175446	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H+HCOOH"	47.012746
"229714"	381.18494	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+3H2O+2H"	56.04448
"1511947"	414.22749	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+IsoProp+H"	61.06479
"412367"	384.138888	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+Na+K"	61.952376
"776286"	560.720238	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+Na+K"	61.952376
"1671521"	207.557538	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Na+K"	61.952376
"256947"	770.341168	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+ACN+Na"	64.015768
"1228926"	417.178468	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+ACN+Na"	64.015768
"1715990"	417.201993	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+NH4+HCOOH"	64.039293
"1181704"	140.710118	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+3Na"	68.967654
"1651597"	422.157388	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Na+HCOOH"	68.994688
"157852"	783.24444	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+2K-H"	76.91904
"598746"	1136.40714	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+2K-H"	76.91904
"1091287"	430.08174	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2K-H"	76.91904
"143729"	392.125858	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"2M+2K"	77.926316
"583286"	568.707208	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"3M+2K"	77.926316
"1072174"	215.544508	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2K"	77.926316
"1102225"	432.096292	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2K+H"	78.933592
"1340676"	432.183907	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+DMSO+H"	79.021207
"1008844"	436.223076	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2ACN+H"	83.060376
"1532806"	437.216708	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+IsoProp+Na+H"	84.054008
"998159"	218.615176	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+2ACN+2H"	84.067652
"1592663"	438.131328	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+K+HCOOH"	84.968628
"1425980"	468.162838	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+H+CF3COOH"	115.000138
"1160646"	239.128451	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+3ACN+2H"	125.094202
"1709102"	485.189385	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+NH4+CF3COOH"	132.026685
"1646940"	490.14478	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+Na+CF3COOH"	136.98208
"1576032"	506.11872	"C09221"	"Melosatin A"	"C21H23NO4"	"353.1627"	"M+K+CF3COOH"	152.95602
"802265"	293.1416	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M"	0
"983212"	274.12321	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-H2O-H"	-19.01839
"75828"	194.420457333333	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M-3H"	-3.021828
"509922"	292.134324	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M-3H"	-3.021828
"891004"	96.7065906666667	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-3H"	-3.021828
"11766"	292.134324	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M-2H"	-2.014552
"454609"	438.705124	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M-2H"	-2.014552
"830223"	145.563524	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-2H"	-2.014552
"86935"	585.275924	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M-H"	-1.007276
"522124"	878.417524	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M-H"	-1.007276
"901020"	292.134324	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-H"	-1.007276
"52113"	602.302471	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M-2H+NH4"	16.019271
"491672"	895.444071	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M-2H+NH4"	16.019271
"866556"	309.160871	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-2H+NH4"	16.019271
"32632"	607.257866	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M-2H+Na"	20.974666
"472921"	900.399466	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M-2H+Na"	20.974666
"850721"	314.116266	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-2H+Na"	20.974666
"1620618"	314.116266	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Na-2H"	20.974666
"94967"	310.122663	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M-H+Cl"	33.962126
"540361"	456.693463	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M-H+Cl"	33.962126
"929501"	163.551863	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-H+Cl"	33.962126
"268543"	621.252602	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+Cl"	34.969402
"671418"	914.394202	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+Cl"	34.969402
"1279446"	328.111002	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Cl"	34.969402
"24191"	623.231806	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M-2H+K"	36.948606
"459381"	916.373406	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M-2H+K"	36.948606
"835356"	330.090206	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-2H+K"	36.948606
"1563948"	330.090206	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+K-2H"	36.948606
"947459"	338.139794	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-H+HCOOH"	44.998194
"364580"	631.281401	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+HCOOH-H"	44.998201
"352836"	645.297051	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+Hac-H"	59.013851
"1497660"	352.155451	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Hac-H"	59.013851
"964108"	360.121751	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-H+NaCOOH"	66.980151
"114839"	328.111002	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+2Cl"	69.938804
"552577"	474.681802	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+2Cl"	69.938804
"1024293"	181.540202	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2Cl"	69.938804
"1244234"	372.060485	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Br"	78.918885
"1306320"	374.116472	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Cl+HCOOH"	80.974872
"1324909"	396.098429	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Cl+NaCOOH"	102.956829
"916331"	406.127186	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M-H+CF3COOH"	112.985586
"1292677"	442.103864	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Cl+CF3COOH"	148.962264
"1367059"	258.128924	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H-2H2O"	-35.012676
"1384334"	276.1389	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H-H2O"	-17.0027
"283776"	587.290476	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+H"	1.007276
"676441"	880.432076	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+H"	1.007276
"1351381"	294.148876	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H"	1.007276
"125919"	294.148876	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+2H"	2.014552
"566696"	440.719676	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+2H"	2.014552
"1038046"	147.578076	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2H"	2.014552
"211416"	196.435009333333	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+3H"	3.021828
"646969"	294.148876	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+3H"	3.021828
"1169103"	98.7211426666667	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+3H"	3.021828
"425447"	604.317023	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+NH4"	18.033823
"787534"	897.458623	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+NH4"	18.033823
"1682042"	311.175423	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+NH4"	18.033823
"330091"	302.6621495	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+H+NH4"	19.041099
"725666"	449.2329495	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+H+NH4"	19.041099
"1478023"	156.0913495	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H+NH4"	19.041099
"392922"	609.272418	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+Na"	22.989218
"755152"	902.414018	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+Na"	22.989218
"1602810"	316.130818	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Na"	22.989218
"315471"	305.139847	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+H+Na"	23.996494
"707446"	451.710647	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+H+Na"	23.996494
"1463051"	158.569047	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H+Na"	23.996494
"1057148"	106.048456666667	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2H+Na"	25.00377
"1258823"	326.175086	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+CH3OH+H"	33.033486
"378248"	625.246358	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+K"	38.963158
"742044"	918.387958	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+K"	38.963158
"1543365"	332.104758	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+K"	38.963158
"308565"	313.126817	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+H+K"	39.970434
"692239"	459.697617	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+H+K"	39.970434
"1447155"	166.556017	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H+K"	39.970434
"237943"	628.317026	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+ACN+H"	42.033826
"1213929"	335.175426	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+ACN+H"	42.033826
"1198909"	168.091351	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+ACN+2H"	43.041102
"191777"	631.25436	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+2Na-H"	44.97116
"641926"	924.39596	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+2Na-H"	44.97116
"1143241"	338.11276	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2Na-H"	44.97116
"174866"	316.130818	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+2Na"	45.978436
"614424"	462.701618	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+2Na"	45.978436
"1117322"	169.560018	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2Na"	45.978436
"1401817"	113.375770666667	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H+2Na"	46.985712
"1434663"	340.154346	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H+HCOOH"	47.012746
"228732"	321.16384	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+3H2O+2H"	56.04448
"1511694"	354.20639	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+IsoProp+H"	61.06479
"410655"	324.117788	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+Na+K"	61.952376
"776398"	470.688588	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+Na+K"	61.952376
"1671633"	177.546988	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Na+K"	61.952376
"256328"	650.298968	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+ACN+Na"	64.015768
"1229767"	357.157368	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+ACN+Na"	64.015768
"1717559"	357.180893	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+NH4+HCOOH"	64.039293
"1181088"	120.703084666667	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+3Na"	68.967654
"1652803"	362.136288	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Na+HCOOH"	68.994688
"157838"	663.20224	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+2K-H"	76.91904
"599222"	956.34384	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+2K-H"	76.91904
"1087389"	370.06064	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2K-H"	76.91904
"142380"	332.104758	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"2M+2K"	77.926316
"582549"	478.675558	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"3M+2K"	77.926316
"1072287"	185.533958	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2K"	77.926316
"1105497"	372.075192	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2K+H"	78.933592
"1341882"	372.162807	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+DMSO+H"	79.021207
"1008589"	376.201976	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2ACN+H"	83.060376
"1531823"	377.195608	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+IsoProp+Na+H"	84.054008
"994990"	188.604626	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+2ACN+2H"	84.067652
"1592773"	378.110228	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+K+HCOOH"	84.968628
"1423904"	408.141738	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+H+CF3COOH"	115.000138
"1156378"	209.117901	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+3ACN+2H"	125.094202
"1700464"	425.168285	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+NH4+CF3COOH"	132.026685
"1645957"	430.12368	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+Na+CF3COOH"	136.98208
"1573955"	446.09762	"C09222"	"Melosatin B"	"C19H19NO2"	"293.1416"	"M+K+CF3COOH"	152.95602
"801646"	287.1521	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M"	0
"983322"	268.13371	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-H2O-H"	-19.01839
"72658"	190.427457333333	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M-3H"	-3.021828
"506750"	286.144824	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M-3H"	-3.021828
"891114"	94.7100906666667	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-3H"	-3.021828
"11876"	286.144824	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M-2H"	-2.014552
"451438"	429.720874	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M-2H"	-2.014552
"827054"	142.568774	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-2H"	-2.014552
"85952"	573.296924	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M-H"	-1.007276
"521141"	860.449024	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M-H"	-1.007276
"905504"	286.144824	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-H"	-1.007276
"51130"	590.323471	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M-2H+NH4"	16.019271
"488864"	877.475571	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M-2H+NH4"	16.019271
"864962"	303.171371	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-2H+NH4"	16.019271
"32496"	595.278866	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M-2H+Na"	20.974666
"473397"	882.430966	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M-2H+Na"	20.974666
"850470"	308.126766	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-2H+Na"	20.974666
"1618906"	308.126766	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Na-2H"	20.974666
"99817"	304.133163	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M-H+Cl"	33.962126
"545940"	447.709213	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M-H+Cl"	33.962126
"936172"	160.557113	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-H+Cl"	33.962126
"270355"	609.273602	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+Cl"	34.969402
"672621"	896.425702	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+Cl"	34.969402
"1280649"	322.121502	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Cl"	34.969402
"25394"	611.252806	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M-2H+K"	36.948606
"466049"	898.404906	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M-2H+K"	36.948606
"843852"	324.100706	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-2H+K"	36.948606
"1564062"	324.100706	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+K-2H"	36.948606
"950852"	332.150294	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-H+HCOOH"	44.998194
"362503"	619.302401	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+HCOOH-H"	44.998201
"348937"	633.318051	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+Hac-H"	59.013851
"1496312"	346.165951	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Hac-H"	59.013851
"960938"	354.132251	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-H+NaCOOH"	66.980151
"114949"	322.121502	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+2Cl"	69.938804
"551595"	465.697552	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+2Cl"	69.938804
"1022946"	178.545452	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2Cl"	69.938804
"1242889"	366.070985	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Br"	78.918885
"1309709"	368.126972	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Cl+HCOOH"	80.974872
"1323925"	390.108929	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Cl+NaCOOH"	102.956829
"918263"	400.137686	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M-H+CF3COOH"	112.985586
"1292786"	436.114364	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Cl+CF3COOH"	148.962264
"1369133"	252.139424	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H-2H2O"	-35.012676
"1382973"	270.1494	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H-H2O"	-17.0027
"285952"	575.311476	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+H"	1.007276
"678011"	862.463576	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+H"	1.007276
"1352535"	288.159376	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H"	1.007276
"126881"	288.159376	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+2H"	2.014552
"566199"	431.735426	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+2H"	2.014552
"1038156"	144.583326	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2H"	2.014552
"211526"	192.442009333333	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+3H"	3.021828
"648900"	288.159376	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+3H"	3.021828
"1169213"	96.7246426666667	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+3H"	3.021828
"428111"	592.338023	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+NH4"	18.033823
"788373"	879.490123	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+NH4"	18.033823
"1682517"	305.185923	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+NH4"	18.033823
"330471"	296.6726495	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+H+NH4"	19.041099
"724317"	440.2486995	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+H+NH4"	19.041099
"1477530"	153.0965995	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H+NH4"	19.041099
"392847"	597.293418	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+Na"	22.989218
"754281"	884.445518	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+Na"	22.989218
"1602801"	310.141318	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Na"	22.989218
"315580"	299.150347	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+H+Na"	23.996494
"707391"	442.726397	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+H+Na"	23.996494
"1462919"	155.574297	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H+Na"	23.996494
"1055071"	104.051956666667	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2H+Na"	25.00377
"1257840"	320.185586	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+CH3OH+H"	33.033486
"380790"	613.267358	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+K"	38.963158
"738591"	900.419458	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+K"	38.963158
"1540558"	326.115258	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+K"	38.963158
"306488"	307.137317	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+H+K"	39.970434
"693443"	450.713367	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+H+K"	39.970434
"1446657"	163.561267	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H+K"	39.970434
"238053"	616.338026	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+ACN+H"	42.033826
"1212218"	329.185926	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+ACN+H"	42.033826
"1197926"	165.096601	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+ACN+2H"	43.041102
"192982"	619.27536	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+2Na-H"	44.97116
"639847"	906.42746	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+2Na-H"	44.97116
"1142622"	332.12326	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2Na-H"	44.97116
"174976"	310.141318	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+2Na"	45.978436
"615627"	453.717368	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+2Na"	45.978436
"1117674"	166.565268	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2Na"	45.978436
"1403384"	111.379270666667	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H+2Na"	46.985712
"1435865"	334.164846	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H+HCOOH"	47.012746
"228841"	315.17434	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+3H2O+2H"	56.04448
"1510709"	348.21689	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+IsoProp+H"	61.06479
"410033"	318.128288	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+Na+K"	61.952376
"776507"	461.704338	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+Na+K"	61.952376
"1670652"	174.552238	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Na+K"	61.952376
"254983"	638.319968	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+ACN+Na"	64.015768
"1228056"	351.167868	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+ACN+Na"	64.015768
"1715481"	351.191393	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+NH4+HCOOH"	64.039293
"1181200"	118.706584666667	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+3Na"	68.967654
"1652550"	356.146788	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Na+HCOOH"	68.994688
"159045"	651.22324	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+2K-H"	76.91904
"597511"	938.37534	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+2K-H"	76.91904
"1087499"	364.07114	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2K-H"	76.91904
"143583"	326.115258	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"2M+2K"	77.926316
"583506"	469.691308	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"3M+2K"	77.926316
"1072397"	182.539208	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2K"	77.926316
"1106700"	366.085692	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2K+H"	78.933592
"1341992"	366.173307	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+DMSO+H"	79.021207
"1007973"	370.212476	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2ACN+H"	83.060376
"1531933"	371.206108	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+IsoProp+Na+H"	84.054008
"996193"	185.609876	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+2ACN+2H"	84.067652
"1598352"	372.120728	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+K+HCOOH"	84.968628
"1425108"	402.152238	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+H+CF3COOH"	115.000138
"1153207"	206.123151	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+3ACN+2H"	125.094202
"1708229"	419.178785	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+NH4+CF3COOH"	132.026685
"1646067"	424.13418	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+Na+CF3COOH"	136.98208
"1574065"	440.10812	"C09223"	"Mesembrenone"	"C17H21NO3"	"287.1521"	"M+K+CF3COOH"	152.95602
"802243"	289.1678	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M"	0
"983432"	270.14941	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"72768"	191.771257333333	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"507953"	288.160524	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"891224"	95.3819906666667	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"10893"	288.160524	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"451548"	432.744424	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"828257"	143.576624	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"86062"	577.328324	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"524531"	866.496124	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"904521"	288.160524	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"49781"	594.354871	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"488609"	883.522671	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"864949"	305.187071	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"32486"	599.310266	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"472163"	888.478066	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"849479"	310.142466	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1619017"	310.142466	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"97741"	306.148863	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"544958"	450.732763	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"933004"	161.564963	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"269373"	613.305002	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"672610"	902.472802	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1280759"	324.137202	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"25504"	615.284206	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"467253"	904.452006	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"843962"	326.116406	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1568544"	326.116406	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"953149"	334.165994	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"365530"	623.333801	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"350870"	637.349451	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1496422"	348.181651	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"962871"	356.147951	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"113237"	324.137202	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"553528"	468.721102	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1023422"	179.553302	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1242270"	368.086685	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1308726"	370.142672	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1321121"	392.124629	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"917280"	402.153386	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1291804"	438.130064	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1369243"	254.155124	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1382763"	272.1651	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"283509"	579.342876	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"675888"	868.510676	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1352401"	290.175076	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"126748"	290.175076	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"566916"	434.758976	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1039361"	145.591176	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"213823"	193.785809333333	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"650104"	290.175076	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1169324"	97.3965426666667	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"428950"	596.369423	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"789942"	885.537223	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1682628"	307.201623	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"331272"	298.6883495	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"723698"	443.2722495	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1477558"	154.1044495	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"393400"	601.324818	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"754557"	890.492618	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1603263"	312.157018	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"316784"	301.166047	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"707988"	445.749947	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1467403"	156.582147	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1055181"	104.723856666667	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1260136"	322.201286	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"379807"	617.298758	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"738979"	906.466558	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1541393"	328.130958	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"304412"	309.153017	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"693552"	453.736917	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1446645"	164.569117	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"237067"	620.369426	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1213057"	331.201626	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1196212"	166.104451	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"190907"	623.30676	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"639226"	912.47456	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1142731"	334.13896	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"174598"	312.157018	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"614275"	456.740918	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1117177"	167.573118	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1401067"	112.051170666667	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1434883"	336.180546	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"228952"	317.19004	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1510459"	350.23259	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"409416"	320.143988	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"774430"	464.727888	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1668939"	175.560088	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"256186"	642.351368	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1228896"	353.183568	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1715591"	353.207093	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1180217"	119.378484666667	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1651566"	358.162488	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"158060"	655.25464	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"598349"	944.42244	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1089431"	366.08684	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"143330"	328.130958	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"582279"	472.714858	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1071414"	183.547058	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1105717"	368.101392	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1341009"	368.189007	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1009542"	372.228176	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1533136"	373.221808	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"997396"	186.617726	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1597369"	374.136428	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1425218"	404.167938	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1153317"	207.131001	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1701777"	421.194485	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1643990"	426.14988	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1576361"	442.12382	"C09224"	"Mesembrine"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"802067"	291.1834	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M"	0
"983542"	272.16501	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-H2O-H"	-19.01839
"72878"	193.114990666667	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M-3H"	-3.021828
"513532"	290.176124	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M-3H"	-3.021828
"891334"	96.0538573333333	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-3H"	-3.021828
"11004"	290.176124	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M-2H"	-2.014552
"452751"	435.767824	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M-2H"	-2.014552
"828367"	144.584424	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-2H"	-2.014552
"85077"	581.359524	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M-H"	-1.007276
"521361"	872.542924	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M-H"	-1.007276
"903536"	290.176124	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-H"	-1.007276
"49526"	598.386071	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M-2H+NH4"	16.019271
"493096"	889.569471	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M-2H+NH4"	16.019271
"866519"	307.202671	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-2H+NH4"	16.019271
"34059"	603.341466	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M-2H+Na"	20.974666
"475076"	894.524866	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M-2H+Na"	20.974666
"852149"	312.158066	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-2H+Na"	20.974666
"1620951"	312.158066	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Na-2H"	20.974666
"97851"	308.164463	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M-H+Cl"	33.962126
"544704"	453.756163	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M-H+Cl"	33.962126
"936394"	162.572763	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-H+Cl"	33.962126
"271670"	617.336202	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+Cl"	34.969402
"673815"	908.519602	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+Cl"	34.969402
"1283786"	326.152802	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Cl"	34.969402
"27802"	619.315406	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M-2H+K"	36.948606
"468456"	910.498806	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M-2H+K"	36.948606
"844073"	328.132006	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-2H+K"	36.948606
"1568655"	328.132006	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+K-2H"	36.948606
"952166"	336.181594	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-H+HCOOH"	44.998194
"365276"	627.365001	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+HCOOH-H"	44.998201
"350981"	641.380651	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+Hac-H"	59.013851
"1499813"	350.197251	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Hac-H"	59.013851
"965168"	358.163551	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-H+NaCOOH"	66.980151
"115170"	326.152802	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+2Cl"	69.938804
"552544"	471.744502	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+2Cl"	69.938804
"1024624"	180.561102	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2Cl"	69.938804
"1243109"	370.102285	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Br"	78.918885
"1305192"	372.158272	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Cl+HCOOH"	80.974872
"1320867"	394.140229	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Cl+NaCOOH"	102.956829
"914112"	404.168986	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M-H+CF3COOH"	112.985586
"1291912"	440.145664	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Cl+CF3COOH"	148.962264
"1368989"	256.170724	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H-2H2O"	-35.012676
"1382999"	274.1807	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H-H2O"	-17.0027
"285807"	583.374076	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+H"	1.007276
"677137"	874.557476	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+H"	1.007276
"1354944"	292.190676	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H"	1.007276
"126251"	292.190676	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+2H"	2.014552
"567028"	437.782376	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+2H"	2.014552
"1039591"	146.598976	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2H"	2.014552
"209560"	195.129542666667	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+3H"	3.021828
"648028"	292.190676	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+3H"	3.021828
"1168703"	98.0684093333333	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+3H"	3.021828
"429789"	600.400623	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+NH4"	18.033823
"788959"	891.584023	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+NH4"	18.033823
"1682131"	309.217223	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+NH4"	18.033823
"333207"	300.7039495	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+H+NH4"	19.041099
"724173"	446.2956495	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+H+NH4"	19.041099
"1477991"	155.1122495	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H+NH4"	19.041099
"393104"	605.356018	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+Na"	22.989218
"754423"	896.539418	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+Na"	22.989218
"1603698"	314.172618	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Na"	22.989218
"317987"	303.181647	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+H+Na"	23.996494
"707979"	448.773347	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+H+Na"	23.996494
"1468606"	157.589947	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H+Na"	23.996494
"1058571"	105.395723333333	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2H+Na"	25.00377
"1261343"	324.216886	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+CH3OH+H"	33.033486
"378826"	621.329958	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+K"	38.963158
"739212"	912.513358	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+K"	38.963158
"1541507"	330.146558	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+K"	38.963158
"304522"	311.168617	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+H+K"	39.970434
"693663"	456.760317	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+H+K"	39.970434
"1446755"	165.576917	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H+K"	39.970434
"239729"	624.400626	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+ACN+H"	42.033826
"1216448"	333.217226	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+ACN+H"	42.033826
"1199239"	167.112251	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+ACN+2H"	43.041102
"193205"	627.33796	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+2Na-H"	44.97116
"637148"	918.52136	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+2Na-H"	44.97116
"1139559"	336.15456	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2Na-H"	44.97116
"175561"	314.172618	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+2Na"	45.978436
"616214"	459.764318	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+2Na"	45.978436
"1123730"	168.580918	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2Na"	45.978436
"1410533"	112.723037333333	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H+2Na"	46.985712
"1433900"	338.196146	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H+HCOOH"	47.012746
"229063"	319.20564	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+3H2O+2H"	56.04448
"1512756"	352.24819	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+IsoProp+H"	61.06479
"411711"	322.159588	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+Na+K"	61.952376
"774540"	467.751288	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+Na+K"	61.952376
"1668684"	176.567888	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Na+K"	61.952376
"255203"	646.382568	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+ACN+Na"	64.015768
"1227912"	355.199168	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+ACN+Na"	64.015768
"1713516"	355.222693	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+NH4+HCOOH"	64.039293
"1179713"	120.050351333333	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+3Na"	68.967654
"1650378"	360.178088	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Na+HCOOH"	68.994688
"158898"	659.28584	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+2K-H"	76.91904
"597851"	950.46924	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+2K-H"	76.91904
"1089908"	368.10244	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2K-H"	76.91904
"144534"	330.146558	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"2M+2K"	77.926316
"584459"	475.738258	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"3M+2K"	77.926316
"1073714"	184.554858	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2K"	77.926316
"1104734"	370.116992	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2K+H"	78.933592
"1339297"	370.204607	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+DMSO+H"	79.021207
"1008559"	374.243776	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2ACN+H"	83.060376
"1533246"	375.237408	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+IsoProp+Na+H"	84.054008
"999695"	187.625526	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+2ACN+2H"	84.067652
"1596386"	376.152028	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+K+HCOOH"	84.968628
"1429338"	406.183538	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+H+CF3COOH"	115.000138
"1153427"	208.138801	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+3ACN+2H"	125.094202
"1704074"	423.210085	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+NH4+CF3COOH"	132.026685
"1645193"	428.16548	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+Na+CF3COOH"	136.98208
"1573191"	444.13942	"C09225"	"Mesembrinol"	"C17H25NO3"	"291.1834"	"M+K+CF3COOH"	152.95602
"814494"	398.2206	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M"	0
"989778"	379.20221	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-H2O-H"	-19.01839
"78218"	264.473124	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M-3H"	-3.021828
"516928"	397.213324	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M-3H"	-3.021828
"894730"	131.732924	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-3H"	-3.021828
"14523"	397.213324	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M-2H"	-2.014552
"454565"	596.323624	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M-2H"	-2.014552
"829570"	198.103024	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-2H"	-2.014552
"87375"	795.433924	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M-H"	-1.007276
"526938"	1193.654524	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M-H"	-1.007276
"899272"	397.213324	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-H"	-1.007276
"49633"	812.460471	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M-2H+NH4"	16.019271
"493205"	1210.681071	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M-2H+NH4"	16.019271
"869184"	414.239871	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-2H+NH4"	16.019271
"42187"	817.415866	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M-2H+Na"	20.974666
"477736"	1215.636466	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M-2H+Na"	20.974666
"852623"	419.195266	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-2H+Na"	20.974666
"1622154"	419.195266	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Na-2H"	20.974666
"97961"	415.201663	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M-H+Cl"	33.962126
"545907"	614.311963	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M-H+Cl"	33.962126
"934317"	216.091363	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-H+Cl"	33.962126
"272873"	831.410602	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+Cl"	34.969402
"669671"	1229.631202	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+Cl"	34.969402
"1282073"	433.190002	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Cl"	34.969402
"26818"	833.389806	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M-2H+K"	36.948606
"469295"	1231.610406	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M-2H+K"	36.948606
"844183"	435.169206	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-2H+K"	36.948606
"1569982"	435.169206	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+K-2H"	36.948606
"952276"	443.218794	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-H+HCOOH"	44.998194
"366115"	841.439401	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+HCOOH-H"	44.998201
"353277"	855.455051	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+Hac-H"	59.013851
"1503203"	457.234451	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Hac-H"	59.013851
"966374"	465.200751	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-H+NaCOOH"	66.980151
"117468"	433.190002	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+2Cl"	69.938804
"555934"	632.300302	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+2Cl"	69.938804
"1026922"	234.079702	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2Cl"	69.938804
"1243584"	477.139485	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Br"	78.918885
"1307125"	479.195472	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Cl+HCOOH"	80.974872
"1320250"	501.177429	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Cl+NaCOOH"	102.956829
"912035"	511.206186	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M-H+CF3COOH"	112.985586
"1289838"	547.182864	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Cl+CF3COOH"	148.962264
"1368734"	363.207924	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H-2H2O"	-35.012676
"1384406"	381.2179	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H-H2O"	-17.0027
"285915"	797.448476	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+H"	1.007276
"679799"	1195.669076	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+H"	1.007276
"1355418"	399.227876	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H"	1.007276
"126847"	399.227876	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+2H"	2.014552
"568233"	598.338176	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+2H"	2.014552
"1038854"	200.117576	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2H"	2.014552
"207847"	266.487676	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+3H"	3.021828
"648500"	399.227876	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+3H"	3.021828
"1168811"	133.747476	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+3H"	3.021828
"430627"	814.475023	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+NH4"	18.033823
"790527"	1212.695623	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+NH4"	18.033823
"1682851"	416.254423	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+NH4"	18.033823
"332223"	407.7411495	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+H+NH4"	19.041099
"723916"	606.8514495	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+H+NH4"	19.041099
"1477169"	208.6308495	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H+NH4"	19.041099
"393130"	819.430418	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+Na"	22.989218
"754617"	1217.651018	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+Na"	22.989218
"1604050"	421.209818	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Na"	22.989218
"319191"	410.218847	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+H+Na"	23.996494
"708699"	609.329147	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+H+Na"	23.996494
"1464342"	211.108547	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H+Na"	23.996494
"1055402"	141.07479	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2H+Na"	25.00377
"1260360"	431.254086	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+CH3OH+H"	33.033486
"378206"	835.404358	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+K"	38.963158
"740052"	1233.624958	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+K"	38.963158
"1540399"	437.183758	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+K"	38.963158
"304631"	418.205817	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+H+K"	39.970434
"692677"	617.316117	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+H+K"	39.970434
"1446255"	219.095517	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H+K"	39.970434
"236925"	838.475026	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+ACN+H"	42.033826
"1211455"	440.254426	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+ACN+H"	42.033826
"1196434"	220.630851	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+ACN+2H"	43.041102
"192222"	841.41236	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+2Na-H"	44.97116
"636165"	1239.63296	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+2Na-H"	44.97116
"1136390"	443.19176	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2Na-H"	44.97116
"176401"	421.209818	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+2Na"	45.978436
"615960"	620.320118	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+2Na"	45.978436
"1122747"	222.099518	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2Na"	45.978436
"1410644"	148.402104	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H+2Na"	46.985712
"1439477"	445.233346	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H+HCOOH"	47.012746
"231360"	426.24284	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+3H2O+2H"	56.04448
"1515054"	459.28539	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+IsoProp+H"	61.06479
"412551"	429.196788	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+Na+K"	61.952376
"777931"	628.307088	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+Na+K"	61.952376
"1674261"	230.086488	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Na+K"	61.952376
"257501"	860.456968	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+ACN+Na"	64.015768
"1231303"	462.236368	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+ACN+Na"	64.015768
"1716908"	462.259893	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+NH4+HCOOH"	64.039293
"1180073"	155.729418	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+3Na"	68.967654
"1651422"	467.215288	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Na+HCOOH"	68.994688
"158281"	873.36024	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+2K-H"	76.91904
"598207"	1271.58084	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+2K-H"	76.91904
"1096219"	475.13964	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2K-H"	76.91904
"151941"	437.183758	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"2M+2K"	77.926316
"592593"	636.294058	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"3M+2K"	77.926316
"1082697"	238.073458	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2K"	77.926316
"1113475"	477.154192	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2K+H"	78.933592
"1341231"	477.241807	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+DMSO+H"	79.021207
"1016325"	481.280976	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2ACN+H"	83.060376
"1538467"	482.274608	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+IsoProp+Na+H"	84.054008
"1004549"	241.144126	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+2ACN+2H"	84.067652
"1602089"	483.189228	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+K+HCOOH"	84.968628
"1423254"	513.220738	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+H+CF3COOH"	115.000138
"1159008"	261.657401	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+3ACN+2H"	125.094202
"1707465"	530.247285	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+NH4+CF3COOH"	132.026685
"1642023"	535.20268	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+Na+CF3COOH"	136.98208
"1579861"	551.17662	"C09226"	"Mitragynine"	"C23H30N2O4"	"398.2206"	"M+K+CF3COOH"	152.95602
"806948"	368.1736	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M"	0
"977201"	349.15521	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"64349"	244.441790666667	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"510472"	367.166324	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"884993"	121.717257333333	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"13413"	367.166324	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"450784"	551.253124	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"830773"	183.079524	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"87485"	735.339924	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"525955"	1103.513524	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"899382"	367.166324	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"50476"	752.366471	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"491856"	1120.540071	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"869293"	384.192871	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"40110"	757.321866	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"484042"	1125.495466	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"854189"	389.148266	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1622628"	389.148266	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"99164"	385.154663	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"548447"	569.241463	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"936614"	201.067863	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"275169"	771.316602	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"672333"	1139.490202	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1281089"	403.143002	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"26928"	773.295806	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"469041"	1141.469406	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"843197"	405.122206	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1560488"	405.122206	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"953480"	413.171794	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"369505"	781.345401	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"354480"	795.361051	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1502221"	427.187451	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"967575"	435.153751	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"119764"	403.143002	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"553857"	587.229802	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1027031"	219.056202	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1248795"	447.092485	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1307964"	449.148472	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1322912"	471.130429	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"917979"	481.159186	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1289948"	517.135864	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1369573"	333.160924	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1385611"	351.1709	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"285662"	737.354476	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"683190"	1105.528076	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1357351"	369.180876	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"126596"	369.180876	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"567247"	553.267676	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1038965"	185.094076	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"209780"	246.456342666667	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"650434"	369.180876	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1171839"	123.731809333333	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"431831"	754.381023	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"789911"	1122.554623	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1683327"	386.207423	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"332702"	377.6941495	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"724756"	561.7809495	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1478942"	193.6073495	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"393489"	759.336418	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"757160"	1127.510018	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1608174"	391.162818	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"317116"	380.171847	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"710634"	564.258647	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1464455"	196.085047	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1060981"	131.059123333333	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1261562"	401.207086	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"382327"	775.310358	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"744415"	1143.483958	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1545374"	407.136758	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"305834"	388.158817	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"697161"	572.245617	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1450253"	204.072017	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"239585"	778.381026	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1215938"	410.207426	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1198728"	205.607351	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"192327"	781.31836	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"636275"	1149.49196	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1136500"	413.14476	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"178698"	391.162818	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"615705"	575.249618	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1120670"	207.076018	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1409660"	138.386437333333	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1440680"	415.186346	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"227097"	396.19584	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1516258"	429.23839	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"413026"	399.149788	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"774761"	583.236588	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1672185"	215.062988	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"254331"	800.362968	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1229226"	432.189368	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1717018"	432.212893	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1184559"	145.713751333333	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1652628"	437.168288	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"158022"	813.26624	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"598921"	1181.43984	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1090861"	445.09264	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"147676"	407.136758	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"589423"	591.223558	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1078310"	223.049958	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1107146"	447.107192	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1341341"	447.194807	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1012063"	451.233976	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1539061"	452.227608	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"1004659"	226.120626	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1600985"	453.142228	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1423365"	483.173738	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1160212"	246.633901	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1707575"	500.200285	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1642133"	505.15568	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1579971"	521.12962	"C09227"	"Mitraphylline"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"810338"	225.079	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M"	0
"976581"	206.06061	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-H2O-H"	-19.01839
"65188"	149.045390666667	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M-3H"	-3.021828
"512769"	224.071724	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M-3H"	-3.021828
"887290"	74.0190573333333	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-3H"	-3.021828
"14617"	224.071724	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M-2H"	-2.014552
"449801"	336.611224	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M-2H"	-2.014552
"828697"	111.532224	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-2H"	-2.014552
"86502"	449.150724	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M-H"	-1.007276
"529345"	674.229724	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M-H"	-1.007276
"902772"	224.071724	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-H"	-1.007276
"54959"	466.177271	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M-2H+NH4"	16.019271
"494518"	691.256271	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M-2H+NH4"	16.019271
"875599"	241.098271	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-2H+NH4"	16.019271
"40219"	471.132666	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M-2H+Na"	20.974666
"484153"	696.211666	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M-2H+Na"	20.974666
"854299"	246.053666	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-2H+Na"	20.974666
"1622374"	246.053666	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Na-2H"	20.974666
"95019"	242.060063	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M-H+Cl"	33.962126
"546490"	354.599563	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M-H+Cl"	33.962126
"935629"	129.520563	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-H+Cl"	33.962126
"269079"	485.127402	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+Cl"	34.969402
"662233"	710.206402	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+Cl"	34.969402
"1276825"	260.048402	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Cl"	34.969402
"23756"	487.106606	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M-2H+K"	36.948606
"463317"	712.185606	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M-2H+K"	36.948606
"843307"	262.027606	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-2H+K"	36.948606
"1560598"	262.027606	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+K-2H"	36.948606
"949211"	270.077194	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-H+HCOOH"	44.998194
"370707"	495.156201	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+HCOOH-H"	44.998201
"353496"	509.171851	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+Hac-H"	59.013851
"1497953"	284.092851	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Hac-H"	59.013851
"959176"	292.059151	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-H+NaCOOH"	66.980151
"113675"	260.048402	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+2Cl"	69.938804
"550193"	372.587902	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+2Cl"	69.938804
"1023494"	147.508902	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2Cl"	69.938804
"1243802"	303.997885	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Br"	78.918885
"1306981"	306.053872	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Cl+HCOOH"	80.974872
"1321564"	328.035829	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Cl+NaCOOH"	102.956829
"914809"	338.064586	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M-H+CF3COOH"	112.985586
"1289327"	374.041264	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Cl+CF3COOH"	148.962264
"1367373"	190.066324	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H-2H2O"	-35.012676
"1384992"	208.0763	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H-H2O"	-17.0027
"288690"	451.165276	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+H"	1.007276
"681113"	676.244276	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+H"	1.007276
"1356367"	226.086276	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H"	1.007276
"127920"	226.086276	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+2H"	2.014552
"568816"	338.625776	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+2H"	2.014552
"1041991"	113.546776	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2H"	2.014552
"209891"	151.059942666667	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+3H"	3.021828
"652732"	226.086276	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+3H"	3.021828
"1173044"	76.0336093333333	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+3H"	3.021828
"427931"	468.191823	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+NH4"	18.033823
"790020"	693.270823	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+NH4"	18.033823
"1682341"	243.112823	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+NH4"	18.033823
"330742"	234.5995495	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+H+NH4"	19.041099
"723527"	347.1390495	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+H+NH4"	19.041099
"1477067"	122.0600495	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H+NH4"	19.041099
"392942"	473.147218	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+Na"	22.989218
"754876"	698.226218	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+Na"	22.989218
"1602781"	248.068218	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Na"	22.989218
"315402"	237.077247	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+H+Na"	23.996494
"707220"	349.616747	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+H+Na"	23.996494
"1461474"	124.537747	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H+Na"	23.996494
"1053920"	83.3609233333333	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2H+Na"	25.00377
"1259486"	258.112486	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+CH3OH+H"	33.033486
"383528"	489.121158	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+K"	38.963158
"739785"	714.200158	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+K"	38.963158
"1541473"	264.042158	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+K"	38.963158
"298892"	245.064217	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+H+K"	39.970434
"695085"	357.603717	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+H+K"	39.970434
"1447085"	132.524717	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H+K"	39.970434
"237266"	492.191826	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+ACN+H"	42.033826
"1213863"	267.112826	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+ACN+H"	42.033826
"1196652"	134.060051	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+ACN+2H"	43.041102
"189887"	495.12916	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+2Na-H"	44.97116
"634562"	720.20816	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+2Na-H"	44.97116
"1134058"	270.05016	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2Na-H"	44.97116
"178808"	248.068218	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+2Na"	45.978436
"619460"	360.607718	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+2Na"	45.978436
"1122966"	135.528718	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2Na"	45.978436
"1406488"	90.6882373333333	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H+2Na"	46.985712
"1439697"	272.091746	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H+HCOOH"	47.012746
"231580"	253.10124	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+3H2O+2H"	56.04448
"1518554"	286.14379	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+IsoProp+H"	61.06479
"412773"	256.055188	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+Na+K"	61.952376
"778151"	368.594688	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+Na+K"	61.952376
"1671202"	143.515688	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Na+K"	61.952376
"254440"	514.173768	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+ACN+Na"	64.015768
"1228971"	289.094768	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+ACN+Na"	64.015768
"1717492"	289.118293	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+NH4+HCOOH"	64.039293
"1184669"	98.0155513333333	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+3Na"	68.967654
"1654923"	294.073688	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Na+HCOOH"	68.994688
"158011"	527.07704	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+2K-H"	76.91904
"597934"	752.15604	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+2K-H"	76.91904
"1092064"	301.99804	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2K-H"	76.91904
"148879"	264.042158	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"2M+2K"	77.926316
"587346"	376.581658	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"3M+2K"	77.926316
"1079513"	151.502658	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2K"	77.926316
"1107255"	304.012592	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2K+H"	78.933592
"1341451"	304.100207	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+DMSO+H"	79.021207
"1012173"	308.139376	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2ACN+H"	83.060376
"1539051"	309.133008	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+IsoProp+Na+H"	84.054008
"1004040"	154.573326	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+2ACN+2H"	84.067652
"1602186"	310.047628	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+K+HCOOH"	84.968628
"1424568"	340.079138	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+H+CF3COOH"	115.000138
"1160322"	175.086601	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+3ACN+2H"	125.094202
"1707685"	357.105685	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+NH4+CF3COOH"	132.026685
"1642243"	362.06108	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+Na+CF3COOH"	136.98208
"1580081"	378.03502	"C09228"	"Murrayanine;9H-Carbazole-3-carboxaldehyde 1-methoxy-"	"C14H11NO2"	"225.079"	"M+K+CF3COOH"	152.95602
"810448"	438.2783	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M"	0
"980702"	419.25991	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-H2O-H"	-19.01839
"63477"	291.178257333333	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M-3H"	-3.021828
"509599"	437.271024	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M-3H"	-3.021828
"889588"	145.085490666667	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-3H"	-3.021828
"12904"	437.271024	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M-2H"	-2.014552
"449911"	656.410174	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M-2H"	-2.014552
"828807"	218.131874	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-2H"	-2.014552
"87705"	875.549324	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M-H"	-1.007276
"530549"	1313.827624	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M-H"	-1.007276
"905069"	437.271024	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-H"	-1.007276
"57256"	892.575871	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M-2H+NH4"	16.019271
"495723"	1330.854171	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M-2H+NH4"	16.019271
"871336"	454.297571	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-2H+NH4"	16.019271
"38142"	897.531266	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M-2H+Na"	20.974666
"477703"	1335.809566	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M-2H+Na"	20.974666
"856597"	459.252966	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-2H+Na"	20.974666
"1626128"	459.252966	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Na-2H"	20.974666
"96468"	455.259363	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M-H+Cl"	33.962126
"546600"	674.398513	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M-H+Cl"	33.962126
"931730"	236.120213	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-H+Cl"	33.962126
"267971"	911.526002	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+Cl"	34.969402
"660522"	1349.804302	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+Cl"	34.969402
"1276935"	473.247702	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Cl"	34.969402
"24960"	913.505206	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M-2H+K"	36.948606
"466707"	1351.783506	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M-2H+K"	36.948606
"845604"	475.226906	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-2H+K"	36.948606
"1562531"	475.226906	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+K-2H"	36.948606
"949321"	483.276494	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-H+HCOOH"	44.998194
"371909"	921.554801	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+HCOOH-H"	44.998201
"352513"	935.570451	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+Hac-H"	59.013851
"1496605"	497.292151	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Hac-H"	59.013851
"961961"	505.258451	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-H+NaCOOH"	66.980151
"116703"	473.247702	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+2Cl"	69.938804
"556264"	692.386852	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+2Cl"	69.938804
"1025065"	254.108552	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2Cl"	69.938804
"1249016"	517.197185	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Br"	78.918885
"1306365"	519.253172	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Cl+HCOOH"	80.974872
"1320133"	541.235129	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Cl+NaCOOH"	102.956829
"911388"	551.263886	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M-H+CF3COOH"	112.985586
"1292720"	587.240564	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Cl+CF3COOH"	148.962264
"1368695"	403.265624	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H-2H2O"	-35.012676
"1391293"	421.2756	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H-H2O"	-17.0027
"283201"	877.563876	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+H"	1.007276
"683410"	1315.842176	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+H"	1.007276
"1352466"	439.285576	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H"	1.007276
"130462"	439.285576	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+2H"	2.014552
"568562"	658.424726	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+2H"	2.014552
"1041370"	220.146426	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2H"	2.014552
"209270"	293.192809333333	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+3H"	3.021828
"650654"	439.285576	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+3H"	3.021828
"1173154"	147.100042666667	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+3H"	3.021828
"434239"	894.590423	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+NH4"	18.033823
"787943"	1332.868723	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+NH4"	18.033823
"1681311"	456.312123	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+NH4"	18.033823
"330011"	447.7988495	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+H+NH4"	19.041099
"723272"	666.9379995	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+H+NH4"	19.041099
"1477255"	228.6596995	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H+NH4"	19.041099
"392935"	899.545818	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+Na"	22.989218
"754540"	1337.824118	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+Na"	22.989218
"1603169"	461.267518	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Na"	22.989218
"318430"	450.276547	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+H+Na"	23.996494
"707319"	669.415697	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+H+Na"	23.996494
"1461507"	231.137397	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H+Na"	23.996494
"1059013"	154.427356666667	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2H+Na"	25.00377
"1262877"	471.311786	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+CH3OH+H"	33.033486
"384732"	915.519758	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+K"	38.963158
"739898"	1353.798058	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+K"	38.963158
"1542314"	477.241458	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+K"	38.963158
"304231"	458.263517	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+H+K"	39.970434
"696287"	677.402667	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+H+K"	39.970434
"1448655"	239.124367	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H+K"	39.970434
"237983"	918.590426	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+ACN+H"	42.033826
"1215065"	480.312126	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+ACN+H"	42.033826
"1197855"	240.659701	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+ACN+2H"	43.041102
"190726"	921.52776	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+2Na-H"	44.97116
"634308"	1359.80606	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+2Na-H"	44.97116
"1138908"	483.24946	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2Na-H"	44.97116
"180012"	461.267518	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+2Na"	45.978436
"621758"	680.406668	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+2Na"	45.978436
"1124535"	242.128368	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2Na"	45.978436
"1405870"	161.754670666667	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H+2Na"	46.985712
"1439444"	485.291046	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H+HCOOH"	47.012746
"229869"	466.30054	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+3H2O+2H"	56.04448
"1512103"	499.34309	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+IsoProp+H"	61.06479
"417254"	469.254488	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+Na+K"	61.952376
"781542"	688.393638	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+Na+K"	61.952376
"1673498"	250.115338	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Na+K"	61.952376
"258925"	940.572368	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+ACN+Na"	64.015768
"1229445"	502.294068	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+ACN+Na"	64.015768
"1718331"	502.317593	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+NH4+HCOOH"	64.039293
"1185873"	169.081984666667	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+3Na"	68.967654
"1654671"	507.272988	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Na+HCOOH"	68.994688
"160433"	953.47564	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+2K-H"	76.91904
"599994"	1391.75394	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+2K-H"	76.91904
"1093268"	515.19734	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2K-H"	76.91904
"152270"	477.241458	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"2M+2K"	77.926316
"589643"	696.380608	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"3M+2K"	77.926316
"1078529"	258.102308	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2K"	77.926316
"1110646"	517.211892	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2K+H"	78.933592
"1340468"	517.299507	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+DMSO+H"	79.021207
"1007907"	521.338676	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2ACN+H"	83.060376
"1538065"	522.332308	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+IsoProp+Na+H"	84.054008
"1003420"	261.172976	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+2ACN+2H"	84.067652
"1601202"	523.246928	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+K+HCOOH"	84.968628
"1427957"	553.278438	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+H+CF3COOH"	115.000138
"1161525"	281.686251	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+3ACN+2H"	125.094202
"1707795"	570.304985	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+NH4+CF3COOH"	132.026685
"1639073"	575.26038	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+Na+CF3COOH"	136.98208
"1574725"	591.23432	"C09229"	"Ochrolifuanine A;16-(1R)-2349-Tetrahydro-1H-pyrido34-bindol-1-yl-17-norcorynan"	"C29H34N4"	"438.2783"	"M+K+CF3COOH"	152.95602
"807278"	246.1157	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M"	0
"980811"	227.09731	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-H2O-H"	-19.01839
"66866"	163.069857333333	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M-3H"	-3.021828
"509709"	245.108424	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M-3H"	-3.021828
"885323"	81.0312906666667	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-3H"	-3.021828
"13014"	245.108424	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M-2H"	-2.014552
"451114"	368.166274	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M-2H"	-2.014552
"830014"	122.050574	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-2H"	-2.014552
"87815"	491.224124	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M-H"	-1.007276
"530656"	737.339824	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M-H"	-1.007276
"901898"	245.108424	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-H"	-1.007276
"52993"	508.250671	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M-2H+NH4"	16.019271
"492553"	754.366371	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M-2H+NH4"	16.019271
"870354"	262.134971	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-2H+NH4"	16.019271
"39345"	513.206066	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M-2H+Na"	20.974666
"477813"	759.321766	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M-2H+Na"	20.974666
"856707"	267.090366	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-2H+Na"	20.974666
"1625145"	267.090366	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Na-2H"	20.974666
"98400"	263.096763	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M-H+Cl"	33.962126
"540149"	386.154613	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M-H+Cl"	33.962126
"931476"	140.038913	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-H+Cl"	33.962126
"267272"	527.200802	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+Cl"	34.969402
"660874"	773.316502	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+Cl"	34.969402
"1274858"	281.085102	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Cl"	34.969402
"25070"	529.180006	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M-2H+K"	36.948606
"465724"	775.295706	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M-2H+K"	36.948606
"842435"	283.064306	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-2H+K"	36.948606
"1559724"	283.064306	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+K-2H"	36.948606
"948338"	291.113894	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-H+HCOOH"	44.998194
"365823"	537.229601	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+HCOOH-H"	44.998201
"349707"	551.245251	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+Hac-H"	59.013851
"1495986"	305.129551	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Hac-H"	59.013851
"961342"	313.095851	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-H+NaCOOH"	66.980151
"114991"	281.085102	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+2Cl"	69.938804
"555281"	404.142952	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+2Cl"	69.938804
"1022622"	158.027252	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2Cl"	69.938804
"1244754"	325.034585	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Br"	78.918885
"1305134"	327.090572	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Cl+HCOOH"	80.974872
"1320321"	349.072529	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Cl+NaCOOH"	102.956829
"911615"	359.101286	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M-H+CF3COOH"	112.985586
"1289545"	395.077964	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Cl+CF3COOH"	148.962264
"1367256"	211.103024	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H-2H2O"	-35.012676
"1388123"	229.113	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H-H2O"	-17.0027
"282939"	493.238676	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+H"	1.007276
"684616"	739.354376	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+H"	1.007276
"1353308"	247.122976	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H"	1.007276
"131665"	247.122976	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+2H"	2.014552
"567579"	370.180826	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+2H"	2.014552
"1040388"	124.065126	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2H"	2.014552
"209018"	165.084409333333	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+3H"	3.021828
"651859"	247.122976	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+3H"	3.021828
"1175451"	83.0458426666667	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+3H"	3.021828
"434349"	510.265223	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+NH4"	18.033823
"788783"	756.380923	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+NH4"	18.033823
"1681956"	264.149523	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+NH4"	18.033823
"331205"	255.6362495	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+H+NH4"	19.041099
"723302"	378.6940995	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+H+NH4"	19.041099
"1478664"	132.5783995	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H+NH4"	19.041099
"394304"	515.220618	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+Na"	22.989218
"754814"	761.336318	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+Na"	22.989218
"1604130"	269.104918	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Na"	22.989218
"322915"	258.113947	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+H+Na"	23.996494
"707803"	381.171797	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+H+Na"	23.996494
"1461985"	135.056097	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H+Na"	23.996494
"1063498"	90.3731566666667	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2H+Na"	25.00377
"1261894"	279.149186	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+CH3OH+H"	33.033486
"384842"	531.194558	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+K"	38.963158
"739156"	777.310258	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+K"	38.963158
"1542425"	285.078858	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+K"	38.963158
"304705"	266.100917	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+H+K"	39.970434
"698585"	389.158767	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+H+K"	39.970434
"1449126"	143.043067	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H+K"	39.970434
"239186"	534.265226	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+ACN+H"	42.033826
"1215904"	288.149526	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+ACN+H"	42.033826
"1197601"	144.578401	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+ACN+2H"	43.041102
"190836"	537.20256	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+2Na-H"	44.97116
"632232"	783.31826	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+2Na-H"	44.97116
"1137925"	291.08686	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2Na-H"	44.97116
"179028"	269.104918	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+2Na"	45.978436
"620410"	392.162768	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+2Na"	45.978436
"1123552"	146.047068	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2Na"	45.978436
"1405981"	97.7004706666667	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H+2Na"	46.985712
"1442473"	293.128446	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H+HCOOH"	47.012746
"231439"	274.13794	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+3H2O+2H"	56.04448
"1515492"	307.18049	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+IsoProp+H"	61.06479
"418459"	277.091888	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+Na+K"	61.952376
"773265"	400.149738	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+Na+K"	61.952376
"1673607"	154.034038	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Na+K"	61.952376
"257941"	556.247168	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+ACN+Na"	64.015768
"1230284"	310.131468	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+ACN+Na"	64.015768
"1715156"	310.154993	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+NH4+HCOOH"	64.039293
"1180512"	105.027784666667	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+3Na"	68.967654
"1652956"	315.110388	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Na+HCOOH"	68.994688
"160910"	569.15044	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+2K-H"	76.91904
"600104"	815.26614	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+2K-H"	76.91904
"1096656"	323.03474	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2K-H"	76.91904
"151288"	285.078858	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"2M+2K"	77.926316
"591940"	408.136708	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"3M+2K"	77.926316
"1075358"	162.021008	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2K"	77.926316
"1109661"	325.049292	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2K+H"	78.933592
"1340578"	325.136907	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+DMSO+H"	79.021207
"1011297"	329.176076	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2ACN+H"	83.060376
"1538175"	330.169708	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+IsoProp+Na+H"	84.054008
"1003528"	165.091676	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+2ACN+2H"	84.067652
"1601312"	331.084328	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+K+HCOOH"	84.968628
"1425881"	361.115838	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+H+CF3COOH"	115.000138
"1160544"	185.604951	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+3ACN+2H"	125.094202
"1711916"	378.142385	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+NH4+CF3COOH"	132.026685
"1642462"	383.09778	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+Na+CF3COOH"	136.98208
"1580303"	399.07172	"C09230"	"Olivacine"	"C17H14N2"	"246.1157"	"M+K+CF3COOH"	152.95602
"810668"	264.0899	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M"	0
"977641"	245.07151	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-H2O-H"	-19.01839
"65883"	175.052657333333	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M-3H"	-3.021828
"509819"	263.082624	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M-3H"	-3.021828
"884340"	87.0226906666667	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-3H"	-3.021828
"13488"	263.082624	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M-2H"	-2.014552
"454022"	395.127574	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M-2H"	-2.014552
"831582"	131.037674	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-2H"	-2.014552
"87925"	527.172524	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M-H"	-1.007276
"532470"	791.262424	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M-H"	-1.007276
"905288"	263.082624	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-H"	-1.007276
"57477"	544.199071	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M-2H+NH4"	16.019271
"498130"	808.288971	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M-2H+NH4"	16.019271
"874838"	280.109171	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-2H+NH4"	16.019271
"43830"	549.154466	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M-2H+Na"	20.974666
"484484"	813.244366	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M-2H+Na"	20.974666
"862285"	285.064566	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-2H+Na"	20.974666
"1626350"	285.064566	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Na-2H"	20.974666
"99602"	281.070963	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M-H+Cl"	33.962126
"535883"	413.115913	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M-H+Cl"	33.962126
"931582"	149.026013	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-H+Cl"	33.962126
"272327"	563.149202	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+Cl"	34.969402
"666939"	827.239102	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+Cl"	34.969402
"1278250"	299.059302	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Cl"	34.969402
"26277"	565.128406	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M-2H+K"	36.948606
"468754"	829.218306	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M-2H+K"	36.948606
"845826"	301.038506	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-2H+K"	36.948606
"1568222"	301.038506	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+K-2H"	36.948606
"955741"	309.088094	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-H+HCOOH"	44.998194
"373225"	573.178001	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+HCOOH-H"	44.998201
"353834"	587.193651	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+Hac-H"	59.013851
"1505944"	323.103751	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Hac-H"	59.013851
"965829"	331.070051	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-H+NaCOOH"	66.980151
"116924"	299.059302	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+2Cl"	69.938804
"553571"	431.104252	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+2Cl"	69.938804
"1029662"	167.014352	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2Cl"	69.938804
"1251427"	343.008785	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Br"	78.918885
"1312782"	345.064772	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Cl+HCOOH"	80.974872
"1325904"	367.046729	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Cl+NaCOOH"	102.956829
"918055"	377.075486	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M-H+CF3COOH"	112.985586
"1295856"	413.052164	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Cl+CF3COOH"	148.962264
"1376934"	229.077224	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H-2H2O"	-35.012676
"1391514"	247.0872	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H-H2O"	-17.0027
"285732"	529.187076	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+H"	1.007276
"681437"	793.276976	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+H"	1.007276
"1355237"	265.097176	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H"	1.007276
"127884"	265.097176	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+2H"	2.014552
"568052"	397.142126	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+2H"	2.014552
"1039039"	133.052226	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2H"	2.014552
"210221"	177.067209333333	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+3H"	3.021828
"649782"	265.097176	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+3H"	3.021828
"1173374"	89.0372426666667	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+3H"	3.021828
"436646"	546.213623	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+NH4"	18.033823
"788529"	810.303523	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+NH4"	18.033823
"1682674"	282.123723	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+NH4"	18.033823
"331439"	273.6104495	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+H+NH4"	19.041099
"724227"	405.6553995	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+H+NH4"	19.041099
"1481937"	141.5654995	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H+NH4"	19.041099
"398430"	551.169018	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+Na"	22.989218
"761613"	815.258918	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+Na"	22.989218
"1606430"	287.079118	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Na"	22.989218
"316464"	276.088147	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+H+Na"	23.996494
"711075"	408.133097	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+H+Na"	23.996494
"1468175"	144.043197	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H+Na"	23.996494
"1065430"	96.3645566666667	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2H+Na"	25.00377
"1263100"	297.123386	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+CH3OH+H"	33.033486
"380584"	567.142958	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+K"	38.963158
"745950"	831.232858	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+K"	38.963158
"1551284"	303.053058	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+K"	38.963158
"311377"	284.075117	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+H+K"	39.970434
"703797"	416.120067	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+H+K"	39.970434
"1451423"	152.030167	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H+K"	39.970434
"241481"	570.213626	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+ACN+H"	42.033826
"1216013"	306.123726	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+ACN+H"	42.033826
"1199897"	153.565501	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+ACN+2H"	43.041102
"194954"	573.15096	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+2Na-H"	44.97116
"632339"	837.24086	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+2Na-H"	44.97116
"1134020"	309.06106	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2Na-H"	44.97116
"175855"	287.079118	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+2Na"	45.978436
"617604"	419.124068	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+2Na"	45.978436
"1122933"	155.034168	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2Na"	45.978436
"1407185"	103.691870666667	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H+2Na"	46.985712
"1440395"	311.102646	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H+HCOOH"	47.012746
"230090"	292.11214	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+3H2O+2H"	56.04448
"1513415"	325.15469	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+IsoProp+H"	61.06479
"416381"	295.066088	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+Na+K"	61.952376
"772282"	427.111038	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+Na+K"	61.952376
"1670800"	163.021138	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Na+K"	61.952376
"253310"	592.195568	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+ACN+Na"	64.015768
"1228205"	328.105668	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+ACN+Na"	64.015768
"1714902"	328.129193	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+NH4+HCOOH"	64.039293
"1182077"	111.019184666667	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+3Na"	68.967654
"1654887"	333.084588	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Na+HCOOH"	68.994688
"163205"	605.09884	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+2K-H"	76.91904
"598146"	869.18874	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+2K-H"	76.91904
"1087284"	341.00894	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2K-H"	76.91904
"143373"	303.053058	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"2M+2K"	77.926316
"584752"	435.098008	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"3M+2K"	77.926316
"1070356"	171.008108	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2K"	77.926316
"1104296"	343.023492	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2K+H"	78.933592
"1337398"	343.111107	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+DMSO+H"	79.021207
"1012500"	347.150276	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2ACN+H"	83.060376
"1537190"	348.143908	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+IsoProp+Na+H"	84.054008
"1000355"	174.078776	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+2ACN+2H"	84.067652
"1598140"	349.058528	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+K+HCOOH"	84.968628
"1423802"	379.090038	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+H+CF3COOH"	115.000138
"1161745"	194.592051	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+3ACN+2H"	125.094202
"1708015"	396.116585	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+NH4+CF3COOH"	132.026685
"1636376"	401.07198	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+Na+CF3COOH"	136.98208
"1580413"	417.04592	"C09231"	"Perlolyrine"	"C16H12N2O2"	"264.0899"	"M+K+CF3COOH"	152.95602
"810778"	262.1317	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M"	0
"979937"	243.11331	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-H2O-H"	-19.01839
"70366"	173.747190666667	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M-3H"	-3.021828
"513209"	261.124424	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M-3H"	-3.021828
"886636"	86.3699573333333	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-3H"	-3.021828
"13963"	261.124424	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M-2H"	-2.014552
"455511"	392.190274	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M-2H"	-2.014552
"832382"	130.058574	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-2H"	-2.014552
"89128"	523.256124	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M-H"	-1.007276
"533431"	785.387824	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M-H"	-1.007276
"910747"	261.124424	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-H"	-1.007276
"61842"	540.282671	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M-2H+NH4"	16.019271
"501279"	802.414371	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M-2H+NH4"	16.019271
"879528"	278.150971	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-2H+NH4"	16.019271
"43940"	545.238066	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M-2H+Na"	20.974666
"484594"	807.369766	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M-2H+Na"	20.974666
"862395"	283.106366	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-2H+Na"	20.974666
"1628647"	283.106366	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Na-2H"	20.974666
"99712"	279.112763	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M-H+Cl"	33.962126
"540367"	410.178613	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M-H+Cl"	33.962126
"932786"	148.046913	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-H+Cl"	33.962126
"274624"	559.232802	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+Cl"	34.969402
"668143"	821.364502	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+Cl"	34.969402
"1280547"	297.101102	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Cl"	34.969402
"28939"	561.212006	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M-2H+K"	36.948606
"468138"	823.343706	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M-2H+K"	36.948606
"846665"	299.080306	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-2H+K"	36.948606
"1568333"	299.080306	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+K-2H"	36.948606
"955122"	307.129894	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-H+HCOOH"	44.998194
"374429"	569.261601	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+HCOOH-H"	44.998201
"355038"	583.277251	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+Hac-H"	59.013851
"1506054"	321.145551	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Hac-H"	59.013851
"972138"	329.111851	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-H+NaCOOH"	66.980151
"119219"	297.101102	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+2Cl"	69.938804
"555138"	428.166952	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+2Cl"	69.938804
"1026126"	166.035252	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2Cl"	69.938804
"1251536"	341.050585	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Br"	78.918885
"1312892"	343.106572	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Cl+HCOOH"	80.974872
"1326014"	365.088529	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Cl+NaCOOH"	102.956829
"917072"	375.117286	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M-H+CF3COOH"	112.985586
"1295966"	411.093964	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Cl+CF3COOH"	148.962264
"1371940"	227.119024	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H-2H2O"	-35.012676
"1390529"	245.129	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H-H2O"	-17.0027
"283288"	525.270676	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+H"	1.007276
"678265"	787.402376	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+H"	1.007276
"1353159"	263.138976	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H"	1.007276
"126409"	263.138976	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+2H"	2.014552
"566337"	394.204826	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+2H"	2.014552
"1038782"	132.073126	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2H"	2.014552
"205955"	175.761742666667	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+3H"	3.021828
"646611"	263.138976	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+3H"	3.021828
"1169110"	88.3845093333334	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+3H"	3.021828
"434569"	542.297223	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+NH4"	18.033823
"789368"	804.428923	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+NH4"	18.033823
"1682054"	280.165523	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+NH4"	18.033823
"331790"	271.6522495	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+H+NH4"	19.041099
"724094"	402.7180995	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+H+NH4"	19.041099
"1477220"	140.5863995	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H+NH4"	19.041099
"396353"	547.252618	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+Na"	22.989218
"760629"	809.384318	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+Na"	22.989218
"1606541"	285.120918	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Na"	22.989218
"315479"	274.129947	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+H+Na"	23.996494
"711185"	405.195797	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+H+Na"	23.996494
"1466099"	143.064097	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H+Na"	23.996494
"1061529"	95.7118233333333	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2H+Na"	25.00377
"1261024"	295.165186	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+CH3OH+H"	33.033486
"380328"	563.226558	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+K"	38.963158
"748247"	825.358258	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+K"	38.963158
"1550299"	301.094858	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+K"	38.963158
"307478"	282.116917	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+H+K"	39.970434
"696617"	413.182767	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+H+K"	39.970434
"1448250"	151.051067	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H+K"	39.970434
"239040"	566.297226	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+ACN+H"	42.033826
"1216123"	304.165526	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+ACN+H"	42.033826
"1196726"	152.586401	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+ACN+2H"	43.041102
"191785"	569.23456	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+2Na-H"	44.97116
"631354"	831.36626	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+2Na-H"	44.97116
"1132185"	307.10286	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2Na-H"	44.97116
"174260"	285.120918	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+2Na"	45.978436
"615888"	416.186768	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+2Na"	45.978436
"1120126"	154.055068	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2Na"	45.978436
"1404742"	103.039137333333	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H+2Na"	46.985712
"1436859"	309.144446	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H+HCOOH"	47.012746
"230929"	290.15394	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+3H2O+2H"	56.04448
"1512432"	323.19649	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+IsoProp+H"	61.06479
"415397"	293.107888	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+Na+K"	61.952376
"773486"	424.173738	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+Na+K"	61.952376
"1667630"	162.042038	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Na+K"	61.952376
"255241"	588.279168	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+ACN+Na"	64.015768
"1226122"	326.147468	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+ACN+Na"	64.015768
"1713348"	326.170993	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+NH4+HCOOH"	64.039293
"1180000"	110.366451333333	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+3Na"	68.967654
"1653902"	331.126388	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Na+HCOOH"	68.994688
"158943"	601.18244	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+2K-H"	76.91904
"597649"	863.31414	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+2K-H"	76.91904
"1086665"	339.05074	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2K-H"	76.91904
"144941"	301.094858	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"2M+2K"	77.926316
"583769"	432.160708	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"3M+2K"	77.926316
"1069737"	170.029008	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2K"	77.926316
"1101854"	341.065292	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2K+H"	78.933592
"1336290"	341.152907	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+DMSO+H"	79.021207
"1009330"	345.192076	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2ACN+H"	83.060376
"1536205"	346.185708	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+IsoProp+Na+H"	84.054008
"997185"	173.099676	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+2ACN+2H"	84.067652
"1597156"	347.100328	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+K+HCOOH"	84.968628
"1420632"	377.131838	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+H+CF3COOH"	115.000138
"1159668"	193.612951	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+3ACN+2H"	125.094202
"1708125"	394.158385	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+NH4+CF3COOH"	132.026685
"1636120"	399.11378	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+Na+CF3COOH"	136.98208
"1580523"	415.08772	"C09232"	"Physovenine"	"C14H18N2O3"	"262.1317"	"M+K+CF3COOH"	152.95602
"810888"	862.5159	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M"	0
"977861"	843.49751	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-H2O-H"	-19.01839
"70477"	574.003324	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M-3H"	-3.021828
"512226"	861.508624	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M-3H"	-3.021828
"885653"	286.498024	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-3H"	-3.021828
"12616"	861.508624	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M-2H"	-2.014552
"452173"	1292.766574	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M-2H"	-2.014552
"831069"	430.250674	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-2H"	-2.014552
"88145"	1724.024524	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M-H"	-1.007276
"532446"	2586.540424	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M-H"	-1.007276
"909883"	861.508624	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-H"	-1.007276
"61706"	1741.051071	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M-2H+NH4"	16.019271
"502239"	2603.566971	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M-2H+NH4"	16.019271
"879310"	878.535171	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-2H+NH4"	16.019271
"44050"	1746.006466	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M-2H+Na"	20.974666
"484704"	2608.522366	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M-2H+Na"	20.974666
"864102"	883.490566	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-2H+Na"	20.974666
"1630944"	883.490566	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Na-2H"	20.974666
"99822"	879.496963	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M-H+Cl"	33.962126
"540477"	1310.754913	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M-H+Cl"	33.962126
"933990"	448.239013	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-H+Cl"	33.962126
"274734"	1760.001202	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+Cl"	34.969402
"667160"	2622.517102	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+Cl"	34.969402
"1280657"	897.485302	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Cl"	34.969402
"29049"	1761.980406	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M-2H+K"	36.948606
"470068"	2624.496306	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M-2H+K"	36.948606
"844952"	899.464506	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-2H+K"	36.948606
"1571036"	899.464506	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+K-2H"	36.948606
"957784"	907.514094	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-H+HCOOH"	44.998194
"374539"	1770.030001	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+HCOOH-H"	44.998201
"354419"	1784.045651	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+Hac-H"	59.013851
"1507136"	921.529751	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Hac-H"	59.013851
"972612"	929.496051	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-H+NaCOOH"	66.980151
"118236"	897.485302	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+2Cl"	69.938804
"557800"	1328.743252	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+2Cl"	69.938804
"1028060"	466.227352	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2Cl"	69.938804
"1250553"	941.434785	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Br"	78.918885
"1311909"	943.490772	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Cl+HCOOH"	80.974872
"1328311"	965.472729	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Cl+NaCOOH"	102.956829
"918275"	975.501486	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M-H+CF3COOH"	112.985586
"1294983"	1011.478164	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Cl+CF3COOH"	148.962264
"1372050"	827.503224	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H-2H2O"	-35.012676
"1392826"	845.5132	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H-H2O"	-17.0027
"282853"	1726.039076	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+H"	1.007276
"679470"	2588.554976	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+H"	1.007276
"1352905"	863.523176	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H"	1.007276
"126520"	863.523176	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+2H"	2.014552
"568271"	1294.781126	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+2H"	2.014552
"1039625"	432.265226	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2H"	2.014552
"210442"	576.017876	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+3H"	3.021828
"650001"	863.523176	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+3H"	3.021828
"1167033"	288.512576	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+3H"	3.021828
"434679"	1743.065623	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+NH4"	18.033823
"788021"	2605.581523	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+NH4"	18.033823
"1682165"	880.549723	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+NH4"	18.033823
"330203"	872.0364495	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+H+NH4"	19.041099
"723597"	1303.2943995	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+H+NH4"	19.041099
"1481064"	440.7784995	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H+NH4"	19.041099
"398650"	1748.021018	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+Na"	22.989218
"759646"	2610.536918	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+Na"	22.989218
"1605558"	885.505118	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Na"	22.989218
"315591"	874.514147	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+H+Na"	23.996494
"711295"	1305.772097	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+H+Na"	23.996494
"1468395"	443.256197	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H+Na"	23.996494
"1061639"	295.83989	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2H+Na"	25.00377
"1264414"	895.549386	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+CH3OH+H"	33.033486
"380802"	1763.994958	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+K"	38.963158
"747264"	2626.510858	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+K"	38.963158
"1552595"	901.479058	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+K"	38.963158
"308681"	882.501117	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+H+K"	39.970434
"698914"	1313.759067	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+H+K"	39.970434
"1449456"	451.243167	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H+K"	39.970434
"239150"	1767.065626	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+ACN+H"	42.033826
"1219514"	904.549726	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+ACN+H"	42.033826
"1196836"	452.778501	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+ACN+2H"	43.041102
"189946"	1770.00296	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+2Na-H"	44.97116
"631817"	2632.51886	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+2Na-H"	44.97116
"1133513"	907.48706	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2Na-H"	44.97116
"177169"	885.505118	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+2Na"	45.978436
"615636"	1316.763068	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+2Na"	45.978436
"1120234"	454.247168	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2Na"	45.978436
"1404852"	303.167204	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H+2Na"	46.985712
"1436967"	909.528646	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H+HCOOH"	47.012746
"228850"	890.53814	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+3H2O+2H"	56.04448
"1517642"	923.58069	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+IsoProp+H"	61.06479
"416601"	893.492088	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+Na+K"	61.952376
"774325"	1324.750038	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+Na+K"	61.952376
"1668467"	462.234138	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Na+K"	61.952376
"253528"	1789.047568	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+ACN+Na"	64.015768
"1226477"	926.531668	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+ACN+Na"	64.015768
"1713665"	926.555193	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+NH4+HCOOH"	64.039293
"1180840"	310.494518	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+3Na"	68.967654
"1650610"	931.510588	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Na+HCOOH"	68.994688
"159417"	1801.95084	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+2K-H"	76.91904
"598246"	2664.46674	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+2K-H"	76.91904
"1087139"	939.43494	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2K-H"	76.91904
"145051"	901.479058	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"2M+2K"	77.926316
"583514"	1332.737008	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"3M+2K"	77.926316
"1070576"	470.221108	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2K"	77.926316
"1102329"	941.449492	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2K+H"	78.933592
"1336889"	941.537107	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+DMSO+H"	79.021207
"1009440"	945.576276	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2ACN+H"	83.060376
"1534129"	946.569908	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+IsoProp+Na+H"	84.054008
"997295"	473.291776	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+2ACN+2H"	84.067652
"1597266"	947.484528	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+K+HCOOH"	84.968628
"1424022"	977.516038	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+H+CF3COOH"	115.000138
"1159778"	493.805051	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+3ACN+2H"	125.094202
"1704955"	994.542585	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+NH4+CF3COOH"	132.026685
"1635137"	999.49798	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+Na+CF3COOH"	136.98208
"1580633"	1015.47192	"C09233"	"Psychotridine"	"C55H62N10"	"862.5159"	"M+K+CF3COOH"	152.95602
"810998"	690.4158	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M"	0
"977971"	671.39741	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-H2O-H"	-19.01839
"64024"	459.269924	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M-3H"	-3.021828
"509056"	689.408524	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M-3H"	-3.021828
"880101"	229.131324	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-3H"	-3.021828
"77"	689.408524	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M-2H"	-2.014552
"446087"	1034.616424	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M-2H"	-2.014552
"820606"	344.200624	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-2H"	-2.014552
"82784"	1379.824324	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M-H"	-1.007276
"523438"	2070.240124	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M-H"	-1.007276
"908536"	689.408524	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-H"	-1.007276
"61085"	1396.850871	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M-2H+NH4"	16.019271
"498458"	2087.266671	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M-2H+NH4"	16.019271
"872979"	706.435071	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-2H+NH4"	16.019271
"44039"	1401.806266	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M-2H+Na"	20.974666
"481533"	2092.222066	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M-2H+Na"	20.974666
"853138"	711.390466	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-2H+Na"	20.974666
"1623400"	711.390466	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Na-2H"	20.974666
"99932"	707.396863	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M-H+Cl"	33.962126
"537307"	1052.604763	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M-H+Cl"	33.962126
"930820"	362.188963	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-H+Cl"	33.962126
"271563"	1415.801002	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+Cl"	34.969402
"666177"	2106.216802	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+Cl"	34.969402
"1280767"	725.385202	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Cl"	34.969402
"26604"	1417.780206	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M-2H+K"	36.948606
"470908"	2108.196006	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M-2H+K"	36.948606
"845062"	727.364406	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-2H+K"	36.948606
"1569282"	727.364406	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+K-2H"	36.948606
"957774"	735.413994	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-H+HCOOH"	44.998194
"374649"	1425.829801	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+HCOOH-H"	44.998201
"356351"	1439.845451	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+Hac-H"	59.013851
"1507367"	749.429651	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Hac-H"	59.013851
"972722"	757.395951	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-H+NaCOOH"	66.980151
"118346"	725.385202	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+2Cl"	69.938804
"559003"	1070.593102	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+2Cl"	69.938804
"1028899"	380.177302	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2Cl"	69.938804
"1250663"	769.334685	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Br"	78.918885
"1315299"	771.390672	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Cl+HCOOH"	80.974872
"1330608"	793.372629	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Cl+NaCOOH"	102.956829
"919479"	803.401386	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M-H+CF3COOH"	112.985586
"1298374"	839.378064	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Cl+CF3COOH"	148.962264
"1372160"	655.403124	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H-2H2O"	-35.012676
"1390751"	673.4131	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H-H2O"	-17.0027
"284604"	1381.838876	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+H"	1.007276
"682860"	2072.254676	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+H"	1.007276
"1354839"	691.423076	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H"	1.007276
"126144"	691.423076	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+2H"	2.014552
"569478"	1036.630976	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+2H"	2.014552
"1037546"	346.215176	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2H"	2.014552
"213833"	461.284476	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+3H"	3.021828
"650111"	691.423076	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+3H"	3.021828
"1167143"	231.145876	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+3H"	3.021828
"433696"	1398.865423	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+NH4"	18.033823
"787402"	2089.281223	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+NH4"	18.033823
"1684827"	708.449623	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+NH4"	18.033823
"332377"	699.9363495	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+H+NH4"	19.041099
"723252"	1045.1442495	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+H+NH4"	19.041099
"1477078"	354.7284495	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H+NH4"	19.041099
"395480"	1403.820818	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+Na"	22.989218
"754768"	2094.236618	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+Na"	22.989218
"1604206"	713.405018	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Na"	22.989218
"315337"	702.414047	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+H+Na"	23.996494
"707389"	1047.621947	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+H+Na"	23.996494
"1467410"	357.206147	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H+Na"	23.996494
"1055188"	238.47319	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2H+Na"	25.00377
"1259057"	723.449286	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+CH3OH+H"	33.033486
"378724"	1419.794758	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+K"	38.963158
"744092"	2110.210558	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+K"	38.963158
"1549425"	729.378958	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+K"	38.963158
"303323"	710.401017	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+H+K"	39.970434
"695745"	1055.608917	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+H+K"	39.970434
"1447744"	365.193117	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H+K"	39.970434
"235812"	1422.865426	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+ACN+H"	42.033826
"1216343"	732.449626	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+ACN+H"	42.033826
"1195853"	366.728451	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+ACN+2H"	43.041102
"190905"	1425.80276	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+2Na-H"	44.97116
"631559"	2116.21856	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+2Na-H"	44.97116
"1135081"	735.38696	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2Na-H"	44.97116
"180559"	713.405018	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+2Na"	45.978436
"617933"	1058.612918	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+2Na"	45.978436
"1121438"	368.197118	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2Na"	45.978436
"1404963"	245.800504	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H+2Na"	46.985712
"1438172"	737.428546	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H+HCOOH"	47.012746
"230053"	718.43804	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+3H2O+2H"	56.04448
"1517023"	751.48059	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+IsoProp+H"	61.06479
"416709"	721.391988	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+Na+K"	61.952376
"774435"	1066.599888	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+Na+K"	61.952376
"1671859"	376.184088	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Na+K"	61.952376
"254368"	1444.847368	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+ACN+Na"	64.015768
"1229628"	754.431568	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+ACN+Na"	64.015768
"1715961"	754.455093	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+NH4+HCOOH"	64.039293
"1180586"	253.127818	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+3Na"	68.967654
"1653759"	759.410488	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Na+HCOOH"	68.994688
"159528"	1457.75064	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+2K-H"	76.91904
"599815"	2148.16644	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+2K-H"	76.91904
"1087249"	767.33484	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2K-H"	76.91904
"144067"	729.378958	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"2M+2K"	77.926316
"582532"	1074.586858	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"3M+2K"	77.926316
"1069595"	384.171058	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2K"	77.926316
"1101711"	769.349392	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2K+H"	78.933592
"1336999"	769.437007	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+DMSO+H"	79.021207
"1008457"	773.476176	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2ACN+H"	83.060376
"1536425"	774.469808	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+IsoProp+Na+H"	84.054008
"997405"	387.241726	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+2ACN+2H"	84.067652
"1589721"	775.384428	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+K+HCOOH"	84.968628
"1427412"	805.415938	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+H+CF3COOH"	115.000138
"1159888"	407.755001	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+3ACN+2H"	125.094202
"1705065"	822.442485	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+NH4+CF3COOH"	132.026685
"1635248"	827.39788	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+Na+CF3COOH"	136.98208
"1580743"	843.37182	"C09234"	"Quadrigemine A"	"C44H50N8"	"690.4158"	"M+K+CF3COOH"	152.95602
"811108"	282.2096	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M"	0
"987194"	263.19121	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-H2O-H"	-19.01839
"70697"	187.132457333333	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M-3H"	-3.021828
"515363"	281.202324	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M-3H"	-3.021828
"890248"	93.0625906666667	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-3H"	-3.021828
"6634"	281.202324	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M-2H"	-2.014552
"448384"	422.307124	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M-2H"	-2.014552
"827278"	140.097524	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-2H"	-2.014552
"85082"	563.411924	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M-H"	-1.007276
"520268"	845.621524	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M-H"	-1.007276
"907191"	281.202324	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-H"	-1.007276
"59739"	580.438471	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M-2H+NH4"	16.019271
"495288"	862.648071	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M-2H+NH4"	16.019271
"873089"	298.228871	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-2H+NH4"	16.019271
"40990"	585.393866	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M-2H+Na"	20.974666
"484923"	867.603466	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M-2H+Na"	20.974666
"852884"	303.184266	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-2H+Na"	20.974666
"1620230"	303.184266	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Na-2H"	20.974666
"100042"	299.190663	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M-H+Cl"	33.962126
"537417"	440.295463	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M-H+Cl"	33.962126
"927650"	158.085863	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-H+Cl"	33.962126
"270580"	599.388602	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+Cl"	34.969402
"666287"	881.598202	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+Cl"	34.969402
"1280877"	317.179002	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Cl"	34.969402
"27807"	601.367806	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M-2H+K"	36.948606
"469925"	883.577406	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M-2H+K"	36.948606
"842986"	319.158206	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-2H+K"	36.948606
"1569756"	319.158206	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+K-2H"	36.948606
"956546"	327.207794	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-H+HCOOH"	44.998194
"375852"	609.417401	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+HCOOH-H"	44.998201
"358648"	623.433051	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+Hac-H"	59.013851
"1506023"	341.223451	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Hac-H"	59.013851
"972105"	349.189751	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-H+NaCOOH"	66.980151
"118456"	317.179002	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+2Cl"	69.938804
"558020"	458.283802	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+2Cl"	69.938804
"1029009"	176.074202	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2Cl"	69.938804
"1250773"	361.128485	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Br"	78.918885
"1309944"	363.184472	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Cl+HCOOH"	80.974872
"1320876"	385.166429	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Cl+NaCOOH"	102.956829
"920683"	395.195186	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M-H+CF3COOH"	112.985586
"1299577"	431.171864	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Cl+CF3COOH"	148.962264
"1375550"	247.196924	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H-2H2O"	-35.012676
"1393047"	265.2069	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H-H2O"	-17.0027
"284715"	565.426476	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+H"	1.007276
"682970"	847.636076	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+H"	1.007276
"1357136"	283.216876	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H"	1.007276
"126984"	283.216876	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+2H"	2.014552
"571774"	424.321676	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+2H"	2.014552
"1038386"	142.112076	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2H"	2.014552
"215037"	189.147009333333	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+3H"	3.021828
"650221"	283.216876	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+3H"	3.021828
"1168346"	95.0771426666667	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+3H"	3.021828
"435629"	582.453023	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+NH4"	18.033823
"788605"	864.662623	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+NH4"	18.033823
"1683478"	300.243423	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+NH4"	18.033823
"332122"	291.7301495	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+H+NH4"	19.041099
"723814"	432.8349495	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+H+NH4"	19.041099
"1477141"	150.6253495	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H+NH4"	19.041099
"394497"	587.408418	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+Na"	22.989218
"755608"	869.618018	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+Na"	22.989218
"1604680"	305.198818	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Na"	22.989218
"316539"	294.207847	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+H+Na"	23.996494
"708961"	435.312647	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+H+Na"	23.996494
"1465333"	153.103047	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H+Na"	23.996494
"1057485"	102.404456666667	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2H+Na"	25.00377
"1258195"	315.243086	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+CH3OH+H"	33.033486
"381385"	603.382358	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+K"	38.963158
"739055"	885.591958	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+K"	38.963158
"1551722"	321.172758	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+K"	38.963158
"301975"	302.194817	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+H+K"	39.970434
"693668"	443.299617	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+H+K"	39.970434
"1445731"	161.090017	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H+K"	39.970434
"237184"	606.453026	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+ACN+H"	42.033826
"1211713"	324.243426	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+ACN+H"	42.033826
"1196326"	162.625351	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+ACN+2H"	43.041102
"192475"	609.39036	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+2Na-H"	44.97116
"630944"	891.59996	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+2Na-H"	44.97116
"1141752"	327.18076	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2Na-H"	44.97116
"177390"	305.198818	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+2Na"	45.978436
"616950"	446.303618	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+2Na"	45.978436
"1121548"	164.094018	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2Na"	45.978436
"1408352"	109.731770666667	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H+2Na"	46.985712
"1434999"	329.222346	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H+HCOOH"	47.012746
"229070"	310.23184	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+3H2O+2H"	56.04448
"1519320"	343.27439	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+IsoProp+H"	61.06479
"413539"	313.185788	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+Na+K"	61.952376
"771992"	454.290588	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+Na+K"	61.952376
"1669782"	172.080988	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Na+K"	61.952376
"252655"	628.434968	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+ACN+Na"	64.015768
"1230831"	346.225368	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+ACN+Na"	64.015768
"1716072"	346.248893	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+NH4+HCOOH"	64.039293
"1182520"	117.059084666667	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+3Na"	68.967654
"1653141"	351.204288	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Na+HCOOH"	68.994688
"161095"	641.33824	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+2K-H"	76.91904
"601747"	923.54784	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+2K-H"	76.91904
"1088458"	359.12864	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2K-H"	76.91904
"143452"	321.172758	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"2M+2K"	77.926316
"583374"	462.277558	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"3M+2K"	77.926316
"1071532"	180.067958	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2K"	77.926316
"1103647"	361.143192	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2K+H"	78.933592
"1336383"	361.230807	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+DMSO+H"	79.021207
"1009660"	365.269976	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2ACN+H"	83.060376
"1525959"	366.263608	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+IsoProp+Na+H"	84.054008
"995327"	183.138626	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+2ACN+2H"	84.067652
"1594205"	367.178228	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+K+HCOOH"	84.968628
"1426429"	397.209738	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+H+CF3COOH"	115.000138
"1160727"	203.651901	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+3ACN+2H"	125.094202
"1705175"	414.236285	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+NH4+CF3COOH"	132.026685
"1636451"	419.19168	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+Na+CF3COOH"	136.98208
"1580853"	435.16562	"C09235"	"(-)-Quebrachamine;Quebrachamine"	"C19H26N2"	"282.2096"	"M+K+CF3COOH"	152.95602
"804657"	384.2049	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M"	0
"984752"	365.18651	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H2O-H"	-19.01839
"67527"	255.129324	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-3H"	-3.021828
"518025"	383.197624	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-3H"	-3.021828
"890358"	127.061024	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-3H"	-3.021828
"8931"	383.197624	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H"	-2.014552
"446305"	575.300074	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H"	-2.014552
"826294"	191.095174	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H"	-2.014552
"85192"	767.402524	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-H"	-1.007276
"525845"	1151.607424	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-H"	-1.007276
"908388"	383.197624	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H"	-1.007276
"60582"	784.429071	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H+NH4"	16.019271
"498678"	1168.633971	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H+NH4"	16.019271
"876479"	400.224171	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H+NH4"	16.019271
"41099"	789.384466	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H+Na"	20.974666
"485033"	1173.589366	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H+Na"	20.974666
"856274"	405.179566	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H+Na"	20.974666
"1623620"	405.179566	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na-2H"	20.974666
"99058"	401.185963	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-H+Cl"	33.962126
"540807"	593.288413	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-H+Cl"	33.962126
"928853"	209.083513	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+Cl"	33.962126
"270690"	803.379202	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Cl"	34.969402
"670771"	1187.584102	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+Cl"	34.969402
"1283174"	419.174302	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl"	34.969402
"29741"	805.358406	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H+K"	36.948606
"467484"	1189.563306	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H+K"	36.948606
"843096"	421.153506	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H+K"	36.948606
"1568044"	421.153506	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K-2H"	36.948606
"955562"	429.203094	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+HCOOH"	44.998194
"374869"	813.408001	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+HCOOH-H"	44.998201
"359123"	827.423651	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Hac-H"	59.013851
"1507832"	443.218751	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Hac-H"	59.013851
"971485"	451.185051	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+NaCOOH"	66.980151
"124034"	419.174302	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2Cl"	69.938804
"555944"	611.276752	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2Cl"	69.938804
"1028390"	227.071852	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2Cl"	69.938804
"1248696"	463.123785	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Br"	78.918885
"1314427"	465.179772	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl+HCOOH"	80.974872
"1323540"	487.161729	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl+NaCOOH"	102.956829
"916052"	497.190486	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+CF3COOH"	112.985586
"1298594"	533.167164	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl+CF3COOH"	148.962264
"1370557"	349.192224	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H-2H2O"	-35.012676
"1392063"	367.2022	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H-H2O"	-17.0027
"286649"	769.417076	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H"	1.007276
"679800"	1153.621976	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H"	1.007276
"1356151"	385.212176	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H"	1.007276
"128677"	385.212176	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2H"	2.014552
"571883"	577.314626	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2H"	2.014552
"1040686"	193.109726	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2H"	2.014552
"210774"	257.143876	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+3H"	3.021828
"651423"	385.212176	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+3H"	3.021828
"1167363"	129.075576	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+3H"	3.021828
"434646"	786.443623	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+NH4"	18.033823
"794914"	1170.648523	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+NH4"	18.033823
"1687963"	402.238723	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+NH4"	18.033823
"335149"	393.7254495	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H+NH4"	19.041099
"723926"	585.8278995	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H+NH4"	19.041099
"1477501"	201.6229995	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+NH4"	19.041099
"394607"	791.399018	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Na"	22.989218
"754990"	1175.603918	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+Na"	22.989218
"1605157"	407.194118	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na"	22.989218
"318111"	396.203147	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H+Na"	23.996494
"711625"	588.305597	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H+Na"	23.996494
"1466537"	204.100697	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+Na"	23.996494
"1057595"	136.40289	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2H+Na"	25.00377
"1262558"	417.238386	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+CH3OH+H"	33.033486
"385506"	807.372958	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+K"	38.963158
"741032"	1191.577858	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+K"	38.963158
"1550739"	423.168058	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K"	38.963158
"303543"	404.190117	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H+K"	39.970434
"695965"	596.292567	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H+K"	39.970434
"1454159"	212.087667	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+K"	39.970434
"242762"	810.443626	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+ACN+H"	42.033826
"1217657"	426.238726	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+ACN+H"	42.033826
"1196072"	213.623001	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+ACN+2H"	43.041102
"190401"	813.38096	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2Na-H"	44.97116
"630327"	1197.58586	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2Na-H"	44.97116
"1134558"	429.17606	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2Na-H"	44.97116
"174692"	407.194118	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2Na"	45.978436
"619247"	599.296568	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2Na"	45.978436
"1119471"	215.091668	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2Na"	45.978436
"1401901"	143.730204	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+2Na"	46.985712
"1432922"	431.217646	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+HCOOH"	47.012746
"228086"	412.22714	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+3H2O+2H"	56.04448
"1518336"	445.26969	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+IsoProp+H"	61.06479
"419115"	415.181088	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Na+K"	61.952376
"779028"	607.283538	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+Na+K"	61.952376
"1669891"	223.078638	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na+K"	61.952376
"256411"	832.425568	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+ACN+Na"	64.015768
"1234587"	448.220668	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+ACN+Na"	64.015768
"1720192"	448.244193	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+NH4+HCOOH"	64.039293
"1183359"	151.057518	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+3Na"	68.967654
"1657626"	453.199588	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na+HCOOH"	68.994688
"162299"	845.32884	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2K-H"	76.91904
"602952"	1229.53374	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2K-H"	76.91904
"1090755"	461.12394	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2K-H"	76.91904
"142470"	423.168058	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2K"	77.926316
"583487"	615.270508	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2K"	77.926316
"1072736"	231.065608	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2K"	77.926316
"1104850"	463.138492	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2K+H"	78.933592
"1338314"	463.226107	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+DMSO+H"	79.021207
"1009770"	467.265276	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2ACN+H"	83.060376
"1525460"	468.258908	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+IsoProp+Na+H"	84.054008
"994344"	234.136276	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2ACN+2H"	84.067652
"1588848"	469.173528	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K+HCOOH"	84.968628
"1424352"	499.205038	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+CF3COOH"	115.000138
"1160473"	254.649551	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+3ACN+2H"	125.094202
"1705285"	516.231585	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+NH4+CF3COOH"	132.026685
"1637655"	521.18698	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na+CF3COOH"	136.98208
"1580963"	537.16092	"C09236"	"Rhyncophylline;Rhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K+CF3COOH"	152.95602
"808048"	492.2525	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M"	0
"984862"	473.23411	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-H2O-H"	-19.01839
"67637"	327.161057333333	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M-3H"	-3.021828
"514854"	491.245224	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M-3H"	-3.021828
"886093"	163.076890666667	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-3H"	-3.021828
"3573"	491.245224	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M-2H"	-2.014552
"446416"	737.371474	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M-2H"	-2.014552
"822030"	245.118974	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-2H"	-2.014552
"81050"	983.497724	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M-H"	-1.007276
"524862"	1475.750224	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M-H"	-1.007276
"909226"	491.245224	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-H"	-1.007276
"60929"	1000.524271	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M-2H+NH4"	16.019271
"495508"	1492.776771	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M-2H+NH4"	16.019271
"874402"	508.271771	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-2H+NH4"	16.019271
"37929"	1005.479666	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M-2H+Na"	20.974666
"478582"	1497.732166	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M-2H+Na"	20.974666
"856384"	513.227166	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-2H+Na"	20.974666
"1623730"	513.227166	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Na-2H"	20.974666
"106823"	509.233563	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M-H+Cl"	33.962126
"547478"	755.359813	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M-H+Cl"	33.962126
"934431"	263.107313	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-H+Cl"	33.962126
"275174"	1019.474402	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+Cl"	34.969402
"674161"	1511.726902	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+Cl"	34.969402
"1286201"	527.221902	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Cl"	34.969402
"29851"	1021.453606	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M-2H+K"	36.948606
"467593"	1513.706106	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M-2H+K"	36.948606
"841020"	529.201106	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-2H+K"	36.948606
"1567789"	529.201106	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+K-2H"	36.948606
"955671"	537.250694	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-H+HCOOH"	44.998194
"374980"	1029.503201	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+HCOOH-H"	44.998201
"357777"	1043.518851	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+Hac-H"	59.013851
"1505877"	551.266351	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Hac-H"	59.013851
"972325"	559.232651	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-H+NaCOOH"	66.980151
"124997"	527.221902	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+2Cl"	69.938804
"556054"	773.348152	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+2Cl"	69.938804
"1029229"	281.095652	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2Cl"	69.938804
"1248806"	571.171385	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Br"	78.918885
"1312350"	573.227372	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Cl+HCOOH"	80.974872
"1326566"	595.209329	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Cl+NaCOOH"	102.956829
"918716"	605.238086	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M-H+CF3COOH"	112.985586
"1298704"	641.214764	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Cl+CF3COOH"	148.962264
"1371760"	457.239824	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H-2H2O"	-35.012676
"1392173"	475.2498	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H-H2O"	-17.0027
"286395"	985.512276	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+H"	1.007276
"683191"	1477.764776	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+H"	1.007276
"1356261"	493.259776	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H"	1.007276
"130245"	493.259776	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+2H"	2.014552
"571995"	739.386026	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+2H"	2.014552
"1044076"	247.133526	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2H"	2.014552
"214164"	329.175609333333	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+3H"	3.021828
"651537"	493.259776	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+3H"	3.021828
"1169660"	165.091442666667	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+3H"	3.021828
"432933"	1002.538823	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+NH4"	18.033823
"796118"	1494.791323	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+NH4"	18.033823
"1689167"	510.286323	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+NH4"	18.033823
"338538"	501.7730495	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+H+NH4"	19.041099
"724400"	747.8992995	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+H+NH4"	19.041099
"1480771"	255.6467995	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H+NH4"	19.041099
"395079"	1007.494218	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+Na"	22.989218
"756804"	1499.746718	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+Na"	22.989218
"1608182"	515.241718	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Na"	22.989218
"320409"	504.250747	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+H+Na"	23.996494
"711734"	750.376997	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+H+Na"	23.996494
"1466646"	258.124497	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H+Na"	23.996494
"1057705"	172.418756666667	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2H+Na"	25.00377
"1267042"	525.285986	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+CH3OH+H"	33.033486
"385616"	1023.468158	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+K"	38.963158
"742601"	1515.720658	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+K"	38.963158
"1548661"	531.215658	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+K"	38.963158
"301832"	512.237717	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+H+K"	39.970434
"694983"	758.363967	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+H+K"	39.970434
"1452084"	266.111467	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H+K"	39.970434
"245061"	1026.538826	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+ACN+H"	42.033826
"1213757"	534.286326	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+ACN+H"	42.033826
"1197277"	267.646801	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+ACN+2H"	43.041102
"191242"	1029.47616	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+2Na-H"	44.97116
"631893"	1521.72866	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+2Na-H"	44.97116
"1136126"	537.22366	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2Na-H"	44.97116
"176138"	515.241718	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+2Na"	45.978436
"619358"	761.367968	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+2Na"	45.978436
"1123956"	269.115468	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2Na"	45.978436
"1399824"	179.746070666667	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H+2Na"	46.985712
"1432060"	539.265246	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H+HCOOH"	47.012746
"228196"	520.27474	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+3H2O+2H"	56.04448
"1514074"	553.31729	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+IsoProp+H"	61.06479
"414853"	523.228688	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+Na+K"	61.952376
"773671"	769.354938	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+Na+K"	61.952376
"1667814"	277.102438	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Na+K"	61.952376
"257614"	1048.520768	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+ACN+Na"	64.015768
"1233604"	556.268268	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+ACN+Na"	64.015768
"1715929"	556.291793	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+NH4+HCOOH"	64.039293
"1183469"	187.073384666667	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+3Na"	68.967654
"1659924"	561.247188	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Na+HCOOH"	68.994688
"161316"	1061.42404	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+2K-H"	76.91904
"601970"	1553.67654	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+2K-H"	76.91904
"1087585"	569.17154	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2K-H"	76.91904
"142580"	531.215658	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"2M+2K"	77.926316
"583232"	777.341908	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"3M+2K"	77.926316
"1071388"	285.089408	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2K"	77.926316
"1102045"	571.186092	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2K+H"	78.933592
"1336968"	571.273707	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+DMSO+H"	79.021207
"1008787"	575.312876	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2ACN+H"	83.060376
"1526178"	576.306508	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+IsoProp+Na+H"	84.054008
"993361"	288.160076	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+2ACN+2H"	84.067652
"1587986"	577.221128	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+K+HCOOH"	84.968628
"1424463"	607.252638	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+H+CF3COOH"	115.000138
"1151470"	308.673351	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+3ACN+2H"	125.094202
"1705395"	624.279185	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+NH4+CF3COOH"	132.026685
"1637765"	629.23458	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+Na+CF3COOH"	136.98208
"1581073"	645.20852	"C09237"	"Roxburghine B"	"C31H32N4O2"	"492.2525"	"M+K+CF3COOH"	152.95602
"802690"	287.1059	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M"	0
"984972"	268.08751	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-H2O-H"	-19.01839
"67747"	190.396657333333	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M-3H"	-3.021828
"516057"	286.098624	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M-3H"	-3.021828
"885110"	94.6946906666667	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-3H"	-3.021828
"3683"	286.098624	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M-2H"	-2.014552
"446526"	429.651574	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M-2H"	-2.014552
"821046"	142.545674	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-2H"	-2.014552
"83225"	573.204524	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M-H"	-1.007276
"524972"	860.310424	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M-H"	-1.007276
"908243"	286.098624	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-H"	-1.007276
"58244"	590.231071	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M-2H+NH4"	16.019271
"496711"	877.336971	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M-2H+NH4"	16.019271
"871232"	303.125171	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-2H+NH4"	16.019271
"38039"	595.186466	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M-2H+Na"	20.974666
"477599"	882.292366	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M-2H+Na"	20.974666
"855401"	308.080566	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-2H+Na"	20.974666
"1627120"	308.080566	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Na-2H"	20.974666
"104747"	304.086963	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M-H+Cl"	33.962126
"546495"	447.639913	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M-H+Cl"	33.962126
"936728"	160.534013	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-H+Cl"	33.962126
"273097"	609.181202	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+Cl"	34.969402
"673908"	896.287102	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+Cl"	34.969402
"1286675"	322.075302	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Cl"	34.969402
"28140"	611.160406	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M-2H+K"	36.948606
"467703"	898.266306	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M-2H+K"	36.948606
"842223"	324.054506	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-2H+K"	36.948606
"1566807"	324.054506	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+K-2H"	36.948606
"952501"	332.104094	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-H+HCOOH"	44.998194
"373996"	619.210001	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+HCOOH-H"	44.998201
"358614"	633.225651	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+Hac-H"	59.013851
"1504166"	346.119751	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Hac-H"	59.013851
"970616"	354.086051	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-H+NaCOOH"	66.980151
"124984"	322.075302	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+2Cl"	69.938804
"556164"	465.628252	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+2Cl"	69.938804
"1029339"	178.522352	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2Cl"	69.938804
"1248916"	366.024785	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Br"	78.918885
"1313553"	368.080772	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Cl+HCOOH"	80.974872
"1329956"	390.062729	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Cl+NaCOOH"	102.956829
"916640"	400.091486	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M-H+CF3COOH"	112.985586
"1297720"	436.068164	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Cl+CF3COOH"	148.962264
"1370048"	252.093224	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H-2H2O"	-35.012676
"1389003"	270.1032	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H-H2O"	-17.0027
"287233"	575.219076	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+H"	1.007276
"683301"	862.324976	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+H"	1.007276
"1356371"	288.113176	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H"	1.007276
"129626"	288.113176	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+2H"	2.014552
"569552"	431.666126	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+2H"	2.014552
"1045279"	144.560226	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2H"	2.014552
"210995"	192.411209333333	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+3H"	3.021828
"650554"	288.113176	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+3H"	3.021828
"1167584"	96.7092426666667	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+3H"	3.021828
"430857"	592.245623	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+NH4"	18.033823
"791855"	879.351523	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+NH4"	18.033823
"1688184"	305.139723	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+NH4"	18.033823
"336461"	296.6264495	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+H+NH4"	19.041099
"727061"	440.1793995	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+H+NH4"	19.041099
"1480152"	153.0734995	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H+NH4"	19.041099
"394460"	597.201018	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+Na"	22.989218
"756182"	884.306918	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+Na"	22.989218
"1609386"	310.095118	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Na"	22.989218
"323799"	299.104147	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+H+Na"	23.996494
"712937"	442.657097	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+H+Na"	23.996494
"1465663"	155.551197	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H+Na"	23.996494
"1056723"	104.036556666667	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2H+Na"	25.00377
"1267152"	320.139386	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+CH3OH+H"	33.033486
"385726"	613.174958	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+K"	38.963158
"744533"	900.280858	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+K"	38.963158
"1549865"	326.069058	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+K"	38.963158
"303035"	307.091117	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+H+K"	39.970434
"697279"	450.644067	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+H+K"	39.970434
"1454380"	163.538167	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H+K"	39.970434
"238244"	616.245626	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+ACN+H"	42.033826
"1214598"	329.139726	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+ACN+H"	42.033826
"1198842"	165.073501	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+ACN+2H"	43.041102
"192807"	619.18296	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+2Na-H"	44.97116
"633461"	906.28886	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+2Na-H"	44.97116
"1133685"	332.07706	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2Na-H"	44.97116
"174061"	310.095118	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+2Na"	45.978436
"617281"	453.648068	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+2Na"	45.978436
"1124066"	166.542168	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2Na"	45.978436
"1399811"	111.363870666667	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H+2Na"	46.985712
"1432534"	334.118646	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H+HCOOH"	47.012746
"222109"	315.12814	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+3H2O+2H"	56.04448
"1510538"	348.17069	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+IsoProp+H"	61.06479
"410951"	318.082088	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+Na+K"	61.952376
"779248"	461.635038	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+Na+K"	61.952376
"1672298"	174.529138	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Na+K"	61.952376
"258817"	638.227568	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+ACN+Na"	64.015768
"1233714"	351.121668	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+ACN+Na"	64.015768
"1714945"	351.145193	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+NH4+HCOOH"	64.039293
"1181392"	118.691184666667	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+3Na"	68.967654
"1655659"	356.100588	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Na+HCOOH"	68.994688
"159603"	651.13084	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+2K-H"	76.91904
"603174"	938.23674	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+2K-H"	76.91904
"1090975"	364.02494	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2K-H"	76.91904
"142811"	326.069058	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"2M+2K"	77.926316
"584436"	469.622008	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"3M+2K"	77.926316
"1070405"	182.516108	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2K"	77.926316
"1103612"	366.039492	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2K+H"	78.933592
"1338171"	366.127107	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+DMSO+H"	79.021207
"1008519"	370.166276	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2ACN+H"	83.060376
"1526043"	371.159908	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+IsoProp+Na+H"	84.054008
"993471"	185.586776	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+2ACN+2H"	84.067652
"1588091"	372.074528	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+K+HCOOH"	84.968628
"1426760"	402.106038	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+H+CF3COOH"	115.000138
"1154860"	206.100051	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+3ACN+2H"	125.094202
"1708421"	419.132585	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+NH4+CF3COOH"	132.026685
"1637875"	424.08798	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+Na+CF3COOH"	136.98208
"1581183"	440.06192	"C09238"	"Rutaecarpine;Rutecarpine"	"C18H13N3O"	"287.1059"	"M+K+CF3COOH"	152.95602
"808268"	310.1681	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M"	0
"985083"	291.14971	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-H2O-H"	-19.01839
"66763"	205.771457333333	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M-3H"	-3.021828
"512887"	309.160824	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M-3H"	-3.021828
"885219"	102.382090666667	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-3H"	-3.021828
"4886"	309.160824	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M-2H"	-2.014552
"446635"	464.244874	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M-2H"	-2.014552
"821156"	154.076774	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-2H"	-2.014552
"82606"	619.328924	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M-H"	-1.007276
"520708"	929.497024	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M-H"	-1.007276
"906166"	309.160824	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-H"	-1.007276
"56167"	636.355471	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M-2H+NH4"	16.019271
"493541"	946.523571	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M-2H+NH4"	16.019271
"871342"	326.187371	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-2H+NH4"	16.019271
"38149"	641.310866	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M-2H+Na"	20.974666
"473334"	951.478966	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M-2H+Na"	20.974666
"850408"	331.142766	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-2H+Na"	20.974666
"1623950"	331.142766	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Na-2H"	20.974666
"108137"	327.149163	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M-H+Cl"	33.962126
"546605"	482.233213	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M-H+Cl"	33.962126
"937931"	172.065113	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-H+Cl"	33.962126
"275395"	655.305602	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+Cl"	34.969402
"672195"	965.473702	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+Cl"	34.969402
"1284600"	345.137502	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Cl"	34.969402
"27157"	657.284806	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M-2H+K"	36.948606
"465627"	967.452906	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M-2H+K"	36.948606
"843426"	347.116706	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-2H+K"	36.948606
"1566914"	347.116706	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+K-2H"	36.948606
"951517"	355.166294	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-H+HCOOH"	44.998194
"371920"	665.334401	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+HCOOH-H"	44.998201
"357266"	679.350051	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+Hac-H"	59.013851
"1505731"	369.181951	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Hac-H"	59.013851
"971817"	377.148251	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-H+NaCOOH"	66.980151
"124364"	345.137502	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+2Cl"	69.938804
"556274"	500.221552	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+2Cl"	69.938804
"1030543"	190.053452	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2Cl"	69.938804
"1249027"	389.086985	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Br"	78.918885
"1310383"	391.142972	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Cl+HCOOH"	80.974872
"1326786"	413.124929	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Cl+NaCOOH"	102.956829
"918936"	423.153686	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M-H+CF3COOH"	112.985586
"1292363"	459.130364	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Cl+CF3COOH"	148.962264
"1370158"	275.155424	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H-2H2O"	-35.012676
"1389114"	293.1654	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H-H2O"	-17.0027
"285520"	621.343476	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+H"	1.007276
"683411"	931.511576	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+H"	1.007276
"1356481"	311.175376	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H"	1.007276
"131560"	311.175376	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+2H"	2.014552
"570025"	466.259426	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+2H"	2.014552
"1045389"	156.091326	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2H"	2.014552
"214385"	207.786009333333	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+3H"	3.021828
"653944"	311.175376	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+3H"	3.021828
"1170975"	104.396642666667	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+3H"	3.021828
"432060"	638.370023	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+NH4"	18.033823
"795973"	948.538123	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+NH4"	18.033823
"1690480"	328.201923	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+NH4"	18.033823
"336571"	319.6886495	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+H+NH4"	19.041099
"727171"	474.7726995	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+H+NH4"	19.041099
"1480262"	164.6045995	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H+NH4"	19.041099
"394570"	643.325418	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+Na"	22.989218
"756413"	953.493518	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+Na"	22.989218
"1610589"	333.157318	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Na"	22.989218
"323909"	322.166347	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+H+Na"	23.996494
"711955"	477.250397	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+H+Na"	23.996494
"1466867"	167.082297	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H+Na"	23.996494
"1061205"	111.723956666667	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2H+Na"	25.00377
"1266169"	343.201586	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+CH3OH+H"	33.033486
"390208"	659.299358	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+K"	38.963158
"744643"	969.467458	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+K"	38.963158
"1552162"	349.131258	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+K"	38.963158
"307155"	330.153317	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+H+K"	39.970434
"700670"	485.237367	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+H+K"	39.970434
"1453397"	175.069267	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H+K"	39.970434
"237626"	662.370026	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+ACN+H"	42.033826
"1213614"	352.201926	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+ACN+H"	42.033826
"1202966"	176.604601	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+ACN+2H"	43.041102
"194740"	665.30736	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+2Na-H"	44.97116
"633571"	975.47546	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+2Na-H"	44.97116
"1132702"	355.13926	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2Na-H"	44.97116
"176721"	333.157318	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+2Na"	45.978436
"614474"	488.241368	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+2Na"	45.978436
"1119802"	178.073268	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2Na"	45.978436
"1402232"	119.051270666667	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H+2Na"	46.985712
"1432158"	357.180846	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H+HCOOH"	47.012746
"222217"	338.19034	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+3H2O+2H"	56.04448
"1509914"	371.23289	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+IsoProp+H"	61.06479
"412882"	341.144288	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+Na+K"	61.952376
"779358"	496.228338	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+Na+K"	61.952376
"1672408"	186.060238	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Na+K"	61.952376
"257833"	684.351968	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+ACN+Na"	64.015768
"1233824"	374.183868	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+ACN+Na"	64.015768
"1717241"	374.207393	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+NH4+HCOOH"	64.039293
"1182594"	126.378584666667	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+3Na"	68.967654
"1659050"	379.162788	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Na+HCOOH"	68.994688
"165911"	697.25524	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+2K-H"	76.91904
"603284"	1007.42334	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+2K-H"	76.91904
"1088898"	387.08714	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2K-H"	76.91904
"144373"	349.131258	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"2M+2K"	77.926316
"584546"	504.215308	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"3M+2K"	77.926316
"1071243"	194.047208	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2K"	77.926316
"1102259"	389.101692	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2K+H"	78.933592
"1338280"	389.189307	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+DMSO+H"	79.021207
"1008266"	393.228476	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2ACN+H"	83.060376
"1526032"	394.222108	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+IsoProp+Na+H"	84.054008
"993581"	197.117876	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+2ACN+2H"	84.067652
"1588811"	395.136728	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+K+HCOOH"	84.968628
"1426870"	425.168238	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+H+CF3COOH"	115.000138
"1154969"	217.631151	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+3ACN+2H"	125.094202
"1708895"	442.194785	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+NH4+CF3COOH"	132.026685
"1637985"	447.15018	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+Na+CF3COOH"	136.98208
"1581293"	463.12412	"C09239"	"Sarpagine"	"C19H22N2O2"	"310.1681"	"M+K+CF3COOH"	152.95602
"808378"	272.1313	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M"	0
"985193"	253.11291	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-H2O-H"	-19.01839
"63956"	180.413590666667	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M-3H"	-3.021828
"512997"	271.124024	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M-3H"	-3.021828
"883507"	89.7031573333333	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-3H"	-3.021828
"4996"	271.124024	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M-2H"	-2.014552
"444923"	407.189674	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M-2H"	-2.014552
"821266"	135.058374	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-2H"	-2.014552
"82716"	543.255324	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M-H"	-1.007276
"520089"	815.386624	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M-H"	-1.007276
"906276"	271.124024	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-H"	-1.007276
"55184"	560.281871	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M-2H+NH4"	16.019271
"493651"	832.413171	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M-2H+NH4"	16.019271
"871452"	288.150571	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-2H+NH4"	16.019271
"38259"	565.237266	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M-2H+Na"	20.974666
"475996"	837.368566	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M-2H+Na"	20.974666
"859994"	293.105966	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-2H+Na"	20.974666
"1624060"	293.105966	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Na-2H"	20.974666
"106790"	289.112363	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M-H+Cl"	33.962126
"545990"	425.178013	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M-H+Cl"	33.962126
"940958"	153.046713	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-H+Cl"	33.962126
"275505"	579.232002	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+Cl"	34.969402
"671211"	851.363302	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+Cl"	34.969402
"1283615"	307.100702	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Cl"	34.969402
"23987"	581.211206	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M-2H+K"	36.948606
"466828"	853.342506	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M-2H+K"	36.948606
"844630"	309.079906	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-2H+K"	36.948606
"1567024"	309.079906	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+K-2H"	36.948606
"953815"	317.129494	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-H+HCOOH"	44.998194
"370937"	589.260801	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+HCOOH-H"	44.998201
"359194"	603.276451	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+Hac-H"	59.013851
"1503656"	331.145151	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Hac-H"	59.013851
"968648"	339.111451	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-H+NaCOOH"	66.980151
"123385"	307.100702	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+2Cl"	69.938804
"557839"	443.166352	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+2Cl"	69.938804
"1029556"	171.035052	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2Cl"	69.938804
"1250228"	351.050185	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Br"	78.918885
"1313770"	353.106172	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Cl+HCOOH"	80.974872
"1331268"	375.088129	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Cl+NaCOOH"	102.956829
"919046"	385.116886	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M-H+CF3COOH"	112.985586
"1293201"	421.093564	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Cl+CF3COOH"	148.962264
"1369905"	237.118624	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H-2H2O"	-35.012676
"1392504"	255.1286	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H-H2O"	-17.0027
"284901"	545.269876	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+H"	1.007276
"683521"	817.401176	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+H"	1.007276
"1355498"	273.138576	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H"	1.007276
"131670"	273.138576	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+2H"	2.014552
"570136"	409.204226	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+2H"	2.014552
"1046593"	137.072926	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2H"	2.014552
"217048"	182.428142666667	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+3H"	3.021828
"654055"	273.138576	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+3H"	3.021828
"1171085"	91.7177093333333	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+3H"	3.021828
"431077"	562.296423	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+NH4"	18.033823
"795356"	834.427723	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+NH4"	18.033823
"1691685"	290.165123	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+NH4"	18.033823
"339964"	281.6518495	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+H+NH4"	19.041099
"732384"	417.7174995	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+H+NH4"	19.041099
"1484018"	145.5861995	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H+NH4"	19.041099
"398327"	567.251818	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+Na"	22.989218
"758226"	839.383118	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+Na"	22.989218
"1611792"	295.120518	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Na"	22.989218
"325112"	284.129547	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+H+Na"	23.996494
"714251"	420.195197	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+H+Na"	23.996494
"1470257"	148.063897	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H+Na"	23.996494
"1062409"	99.0450233333333	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2H+Na"	25.00377
"1267371"	305.164786	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+CH3OH+H"	33.033486
"389225"	583.225758	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+K"	38.963158
"749130"	855.357058	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+K"	38.963158
"1548995"	311.094458	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+K"	38.963158
"305079"	292.116517	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+H+K"	39.970434
"696407"	428.182167	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+H+K"	39.970434
"1454601"	156.050867	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H+K"	39.970434
"240287"	586.296426	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+ACN+H"	42.033826
"1215911"	314.165126	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+ACN+H"	42.033826
"1205261"	157.586201	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+ACN+2H"	43.041102
"195943"	589.23376	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+2Na-H"	44.97116
"634774"	861.36506	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+2Na-H"	44.97116
"1134271"	317.10246	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2Na-H"	44.97116
"176832"	295.120518	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+2Na"	45.978436
"615311"	431.186168	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+2Na"	45.978436
"1118817"	159.054868	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2Na"	45.978436
"1401243"	106.372337333333	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H+2Na"	46.985712
"1437738"	319.144046	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H+HCOOH"	47.012746
"221966"	300.15354	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+3H2O+2H"	56.04448
"1510028"	333.19609	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+IsoProp+H"	61.06479
"412626"	303.107488	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+Na+K"	61.952376
"774001"	439.173138	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+Na+K"	61.952376
"1675798"	167.041838	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Na+K"	61.952376
"256850"	608.278368	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+ACN+Na"	64.015768
"1230653"	336.147068	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+ACN+Na"	64.015768
"1716253"	336.170593	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+NH4+HCOOH"	64.039293
"1181973"	113.699651333333	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+3Na"	68.967654
"1660253"	341.125988	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Na+HCOOH"	68.994688
"167114"	621.18164	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+2K-H"	76.91904
"602301"	893.31294	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+2K-H"	76.91904
"1087548"	349.05034	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2K-H"	76.91904
"142296"	311.094458	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"2M+2K"	77.926316
"584289"	447.160108	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"3M+2K"	77.926316
"1071353"	175.028808	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2K"	77.926316
"1100914"	351.064892	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2K+H"	78.933592
"1336448"	351.152507	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+DMSO+H"	79.021207
"1008010"	355.191676	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2ACN+H"	83.060376
"1525415"	356.185308	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+IsoProp+Na+H"	84.054008
"994784"	178.099476	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+2ACN+2H"	84.067652
"1588313"	357.099928	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+K+HCOOH"	84.968628
"1424791"	387.131438	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+H+CF3COOH"	115.000138
"1155079"	198.612751	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+3ACN+2H"	125.094202
"1709005"	404.157985	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+NH4+CF3COOH"	132.026685
"1637002"	409.11338	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+Na+CF3COOH"	136.98208
"1581403"	425.08732	"C09240"	"Sempervirine"	"C19H16N2"	"272.1313"	"M+K+CF3COOH"	152.95602
"810675"	348.1474	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M"	0
"982023"	329.12901	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-H2O-H"	-19.01839
"64066"	231.090990666667	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M-3H"	-3.021828
"513107"	347.140124	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M-3H"	-3.021828
"881430"	115.041857333333	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-3H"	-3.021828
"5106"	347.140124	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M-2H"	-2.014552
"441753"	521.213824	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M-2H"	-2.014552
"821376"	173.066424	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-2H"	-2.014552
"82462"	695.287524	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M-H"	-1.007276
"519835"	1043.434924	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M-H"	-1.007276
"903106"	347.140124	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-H"	-1.007276
"52014"	712.314071	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M-2H+NH4"	16.019271
"488413"	1060.461471	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M-2H+NH4"	16.019271
"865120"	364.166671	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-2H+NH4"	16.019271
"32293"	717.269466	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M-2H+Na"	20.974666
"475742"	1065.416866	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M-2H+Na"	20.974666
"850263"	369.122066	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-2H+Na"	20.974666
"1620888"	369.122066	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Na-2H"	20.974666
"100702"	365.128463	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M-H+Cl"	33.962126
"546462"	539.202163	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M-H+Cl"	33.962126
"939249"	191.054763	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-H+Cl"	33.962126
"275615"	731.264202	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+Cl"	34.969402
"669136"	1079.411602	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+Cl"	34.969402
"1281542"	383.116802	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Cl"	34.969402
"24097"	733.243406	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M-2H+K"	36.948606
"468032"	1081.390806	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M-2H+K"	36.948606
"842554"	385.096006	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-2H+K"	36.948606
"1567136"	385.096006	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+K-2H"	36.948606
"951738"	393.145594	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-H+HCOOH"	44.998194
"371047"	741.293001	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+HCOOH-H"	44.998201
"356023"	755.308651	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+Hac-H"	59.013851
"1502671"	407.161251	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Hac-H"	59.013851
"964751"	415.127551	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-H+NaCOOH"	66.980151
"121674"	383.116802	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+2Cl"	69.938804
"557220"	557.190502	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+2Cl"	69.938804
"1030760"	209.043102	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2Cl"	69.938804
"1249245"	427.066285	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Br"	78.918885
"1314974"	429.122272	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Cl+HCOOH"	80.974872
"1326278"	451.104229	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Cl+NaCOOH"	102.956829
"918064"	461.132986	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M-H+CF3COOH"	112.985586
"1292220"	497.109664	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Cl+CF3COOH"	148.962264
"1372933"	313.134724	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H-2H2O"	-35.012676
"1391523"	331.1447	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H-H2O"	-17.0027
"286837"	697.302076	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+H"	1.007276
"682538"	1045.449476	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+H"	1.007276
"1356703"	349.154676	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H"	1.007276
"131779"	349.154676	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+2H"	2.014552
"572435"	523.228376	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+2H"	2.014552
"1049983"	175.080976	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2H"	2.014552
"217524"	233.105542666667	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+3H"	3.021828
"658543"	349.154676	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+3H"	3.021828
"1175938"	117.056409333333	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+3H"	3.021828
"432281"	714.328623	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+NH4"	18.033823
"797649"	1062.476023	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+NH4"	18.033823
"1692889"	366.181223	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+NH4"	18.033823
"338982"	357.6679495	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+H+NH4"	19.041099
"728120"	531.7416495	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+H+NH4"	19.041099
"1480848"	183.5942495	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H+NH4"	19.041099
"399529"	719.284018	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+Na"	22.989218
"760523"	1067.431418	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+Na"	22.989218
"1610809"	371.136618	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Na"	22.989218
"321941"	360.145647	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+H+Na"	23.996494
"713268"	534.219347	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+H+Na"	23.996494
"1468180"	186.071947	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H+Na"	23.996494
"1059238"	124.383723333333	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2H+Na"	25.00377
"1266386"	381.180886	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+CH3OH+H"	33.033486
"386053"	735.257958	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+K"	38.963158
"749239"	1083.405358	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+K"	38.963158
"1550199"	387.110558	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+K"	38.963158
"309563"	368.132617	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+H+K"	39.970434
"695424"	542.206317	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+H+K"	39.970434
"1452526"	194.058917	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H+K"	39.970434
"239666"	738.328626	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+ACN+H"	42.033826
"1216024"	390.181226	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+ACN+H"	42.033826
"1199902"	195.594251	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+ACN+2H"	43.041102
"195322"	741.26596	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+2Na-H"	44.97116
"635249"	1089.41336	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+2Na-H"	44.97116
"1138025"	393.11856	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2Na-H"	44.97116
"179856"	371.136618	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+2Na"	45.978436
"616150"	545.210318	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+2Na"	45.978436
"1115887"	197.062918	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2Na"	45.978436
"1399650"	131.711037333333	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H+2Na"	46.985712
"1437848"	395.160146	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H+HCOOH"	47.012746
"220858"	376.16964	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+3H2O+2H"	56.04448
"1512328"	409.21219	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+IsoProp+H"	61.06479
"409943"	379.123588	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+Na+K"	61.952376
"774111"	553.197288	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+Na+K"	61.952376
"1678096"	205.049888	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Na+K"	61.952376
"261334"	760.310568	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+ACN+Na"	64.015768
"1232951"	412.163168	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+ACN+Na"	64.015768
"1715276"	412.186693	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+NH4+HCOOH"	64.039293
"1180629"	139.038351333333	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+3Na"	68.967654
"1651979"	417.142088	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Na+HCOOH"	68.994688
"166131"	773.21384	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+2K-H"	76.91904
"604598"	1121.36124	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+2K-H"	76.91904
"1086566"	425.06644	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2K-H"	76.91904
"144108"	387.110558	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"2M+2K"	77.926316
"583309"	561.184258	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"3M+2K"	77.926316
"1074382"	213.036858	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2K"	77.926316
"1102121"	427.080992	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2K+H"	78.933592
"1338508"	427.168607	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+DMSO+H"	79.021207
"1010320"	431.207776	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2ACN+H"	83.060376
"1527353"	432.201408	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+IsoProp+Na+H"	84.054008
"995989"	216.107526	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+2ACN+2H"	84.067652
"1590492"	433.116028	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+K+HCOOH"	84.968628
"1421621"	463.147538	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+H+CF3COOH"	115.000138
"1151908"	236.620801	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+3ACN+2H"	125.094202
"1699273"	480.174085	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+NH4+CF3COOH"	132.026685
"1640392"	485.12948	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+Na+CF3COOH"	136.98208
"1576044"	501.10342	"C09241"	"Serpentine;Serpentine (alkaloid)"	"C21H20N2O3"	"348.1474"	"M+K+CF3COOH"	152.95602
"814065"	616.3777	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M"	0
"987600"	597.35931	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-H2O-H"	-19.01839
"65635"	409.911190666667	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M-3H"	-3.021828
"513217"	615.370424	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M-3H"	-3.021828
"882634"	204.451957333333	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-3H"	-3.021828
"5216"	615.370424	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M-2H"	-2.014552
"444779"	923.559274	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M-2H"	-2.014552
"824768"	307.181574	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-2H"	-2.014552
"82572"	1231.748124	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M-H"	-1.007276
"523225"	1848.125824	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M-H"	-1.007276
"906496"	615.370424	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-H"	-1.007276
"52124"	1248.774671	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M-2H+NH4"	16.019271
"488523"	1865.152371	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M-2H+NH4"	16.019271
"865471"	632.396971	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-2H+NH4"	16.019271
"35198"	1253.730066	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M-2H+Na"	20.974666
"475852"	1870.107766	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M-2H+Na"	20.974666
"856934"	637.352366	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-2H+Na"	20.974666
"1624280"	637.352366	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Na-2H"	20.974666
"104092"	633.358763	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M-H+Cl"	33.962126
"546938"	941.547613	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M-H+Cl"	33.962126
"940089"	325.169913	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-H+Cl"	33.962126
"279005"	1267.724802	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+Cl"	34.969402
"668153"	1884.102502	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+Cl"	34.969402
"1282016"	651.347102	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Cl"	34.969402
"26393"	1269.704006	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M-2H+K"	36.948606
"467048"	1886.081706	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M-2H+K"	36.948606
"843757"	653.326306	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-2H+K"	36.948606
"1567246"	653.326306	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+K-2H"	36.948606
"952942"	661.375894	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-H+HCOOH"	44.998194
"372251"	1277.753601	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+HCOOH-H"	44.998201
"355040"	1291.769251	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+Hac-H"	59.013851
"1505333"	675.391551	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Hac-H"	59.013851
"968141"	683.357851	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-H+NaCOOH"	66.980151
"121785"	651.347102	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+2Cl"	69.938804
"557330"	959.535952	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+2Cl"	69.938804
"1028683"	343.158252	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2Cl"	69.938804
"1248262"	695.296585	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Br"	78.918885
"1311803"	697.352572	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Cl+HCOOH"	80.974872
"1331491"	719.334529	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Cl+NaCOOH"	102.956829
"920365"	729.363286	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M-H+CF3COOH"	112.985586
"1295978"	765.339964	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Cl+CF3COOH"	148.962264
"1372315"	581.365024	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H-2H2O"	-35.012676
"1387624"	599.375	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H-H2O"	-17.0027
"289136"	1233.762676	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+H"	1.007276
"680463"	1850.140376	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+H"	1.007276
"1360096"	617.384976	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H"	1.007276
"131890"	617.384976	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+2H"	2.014552
"571452"	925.573826	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+2H"	2.014552
"1052492"	309.196126	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2H"	2.014552
"219830"	411.925742666667	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+3H"	3.021828
"659787"	617.384976	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+3H"	3.021828
"1178351"	206.466509333333	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+3H"	3.021828
"438956"	1250.789223	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+NH4"	18.033823
"801248"	1867.166923	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+NH4"	18.033823
"1696646"	634.411523	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+NH4"	18.033823
"343465"	625.8982495	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+H+NH4"	19.041099
"733698"	934.0870995	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+H+NH4"	19.041099
"1486425"	317.7093995	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H+NH4"	19.041099
"399642"	1255.744618	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+Na"	22.989218
"766099"	1872.122318	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+Na"	22.989218
"1614199"	639.366918	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Na"	22.989218
"323144"	628.375947	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+H+Na"	23.996494
"714471"	936.564797	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+H+Na"	23.996494
"1470479"	320.187097	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H+Na"	23.996494
"1061534"	213.793823333333	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2H+Na"	25.00377
"1263216"	649.411186	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+CH3OH+H"	33.033486
"385070"	1271.718558	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+K"	38.963158
"748256"	1888.096258	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+K"	38.963158
"1555134"	655.340858	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+K"	38.963158
"312590"	636.362917	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+H+K"	39.970434
"703190"	944.551767	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+H+K"	39.970434
"1454822"	328.174067	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H+K"	39.970434
"244519"	1274.789226	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+ACN+H"	42.033826
"1216133"	658.411526	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+ACN+H"	42.033826
"1198556"	329.709401	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+ACN+2H"	43.041102
"196165"	1277.72656	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+2Na-H"	44.97116
"635727"	1894.10426	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+2Na-H"	44.97116
"1139231"	661.34886	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2Na-H"	44.97116
"178875"	639.366918	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+2Na"	45.978436
"618812"	947.555768	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+2Na"	45.978436
"1116362"	331.178068	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2Na"	45.978436
"1399194"	221.121137333333	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H+2Na"	46.985712
"1437958"	663.390446	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H+HCOOH"	47.012746
"222915"	644.39994	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+3H2O+2H"	56.04448
"1513532"	677.44249	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+IsoProp+H"	61.06479
"413217"	647.353888	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+Na+K"	61.952376
"780783"	955.542738	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+Na+K"	61.952376
"1680963"	339.165038	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Na+K"	61.952376
"267082"	1296.771168	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+ACN+Na"	64.015768
"1238528"	680.393468	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+ACN+Na"	64.015768
"1717572"	680.416993	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+NH4+HCOOH"	64.039293
"1181834"	228.448451333333	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+3Na"	68.967654
"1655006"	685.372388	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Na+HCOOH"	68.994688
"159680"	1309.67444	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+2K-H"	76.91904
"599968"	1926.05214	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+2K-H"	76.91904
"1095794"	693.29674	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2K-H"	76.91904
"149325"	655.340858	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"2M+2K"	77.926316
"591805"	963.529708	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"3M+2K"	77.926316
"1074493"	347.152008	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2K"	77.926316
"1102597"	695.311292	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2K+H"	78.933592
"1339713"	695.398907	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+DMSO+H"	79.021207
"1010430"	699.438076	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2ACN+H"	83.060376
"1535485"	700.431708	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+IsoProp+Na+H"	84.054008
"999384"	350.222676	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+2ACN+2H"	84.067652
"1599717"	701.346328	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+K+HCOOH"	84.968628
"1423918"	731.377838	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+H+CF3COOH"	115.000138
"1160402"	370.735951	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+3ACN+2H"	125.094202
"1702664"	748.404385	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+NH4+CF3COOH"	132.026685
"1640503"	753.35978	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+Na+CF3COOH"	136.98208
"1573968"	769.33372	"C09242"	"Tabernamine"	"C40H48N4O2"	"616.3777"	"M+K+CF3COOH"	152.95602
"810895"	216.1263	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M"	0
"987709"	197.10791	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-H2O-H"	-19.01839
"68296"	143.076924	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M-3H"	-3.021828
"512233"	215.119024	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M-3H"	-3.021828
"885659"	71.034824	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-3H"	-3.021828
"5325"	215.119024	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M-2H"	-2.014552
"443795"	323.182174	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M-2H"	-2.014552
"820503"	107.055874	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-2H"	-2.014552
"82682"	431.245324	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M-H"	-1.007276
"523335"	647.371624	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M-H"	-1.007276
"897490"	215.119024	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-H"	-1.007276
"50043"	448.271871	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M-2H+NH4"	16.019271
"488144"	664.398171	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M-2H+NH4"	16.019271
"864733"	232.145571	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-2H+NH4"	16.019271
"38588"	453.227266	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M-2H+Na"	20.974666
"479242"	669.353566	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M-2H+Na"	20.974666
"857044"	237.100966	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-2H+Na"	20.974666
"1624390"	237.100966	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Na-2H"	20.974666
"102015"	233.107363	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M-H+Cl"	33.962126
"549114"	341.170513	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M-H+Cl"	33.962126
"940928"	125.044213	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-H+Cl"	33.962126
"279115"	467.222002	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+Cl"	34.969402
"673367"	683.348302	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+Cl"	34.969402
"1281760"	251.095702	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Cl"	34.969402
"26503"	469.201206	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M-2H+K"	36.948606
"468251"	685.327506	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M-2H+K"	36.948606
"847513"	253.074906	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-2H+K"	36.948606
"1569544"	253.074906	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+K-2H"	36.948606
"957426"	261.124494	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-H+HCOOH"	44.998194
"374547"	477.250801	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+HCOOH-H"	44.998201
"357337"	491.266451	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+Hac-H"	59.013851
"1505808"	275.140151	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Hac-H"	59.013851
"971162"	283.106451	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-H+NaCOOH"	66.980151
"120797"	251.095702	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+2Cl"	69.938804
"559992"	359.158852	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+2Cl"	69.938804
"1028793"	143.032552	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2Cl"	69.938804
"1250559"	295.045185	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Br"	78.918885
"1311914"	297.101172	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Cl+HCOOH"	80.974872
"1330506"	319.083129	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Cl+NaCOOH"	102.956829
"922660"	329.111886	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M-H+CF3COOH"	112.985586
"1297180"	365.088564	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Cl+CF3COOH"	148.962264
"1370601"	181.113624	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H-2H2O"	-35.012676
"1386274"	199.1236	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H-H2O"	-17.0027
"287055"	433.259876	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+H"	1.007276
"676275"	649.386176	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+H"	1.007276
"1351461"	217.133576	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H"	1.007276
"125707"	217.133576	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+2H"	2.014552
"575934"	325.196726	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+2H"	2.014552
"1052719"	109.070426	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2H"	2.014552
"219975"	145.091476	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+3H"	3.021828
"659492"	217.133576	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+3H"	3.021828
"1175793"	73.049376	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+3H"	3.021828
"439941"	450.286423	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+NH4"	18.033823
"801036"	666.412723	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+NH4"	18.033823
"1696026"	234.160123	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+NH4"	18.033823
"343212"	225.6468495	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+H+NH4"	19.041099
"733811"	333.7099995	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+H+NH4"	19.041099
"1488723"	117.5836995	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H+NH4"	19.041099
"403032"	455.241818	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+Na"	22.989218
"766209"	671.368118	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+Na"	22.989218
"1615402"	239.115518	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Na"	22.989218
"328722"	228.124547	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+H+Na"	23.996494
"718590"	336.187697	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+H+Na"	23.996494
"1471682"	120.061397	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H+Na"	23.996494
"1060551"	80.37669	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2H+Na"	25.00377
"1268795"	249.159786	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+CH3OH+H"	33.033486
"387367"	471.215758	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+K"	38.963158
"748366"	687.342058	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+K"	38.963158
"1555366"	255.089458	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+K"	38.963158
"313068"	236.111517	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+H+K"	39.970434
"705124"	344.174667	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+H+K"	39.970434
"1456027"	128.048367	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H+K"	39.970434
"243537"	474.286426	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+ACN+H"	42.033826
"1216245"	258.160126	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+ACN+H"	42.033826
"1199031"	129.583701	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+ACN+2H"	43.041102
"195182"	477.22376	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+2Na-H"	44.97116
"635837"	693.35006	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+2Na-H"	44.97116
"1137154"	261.09746	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2Na-H"	44.97116
"178257"	239.115518	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+2Na"	45.978436
"617828"	347.178668	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+2Na"	45.978436
"1116468"	131.052368	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2Na"	45.978436
"1398482"	87.704004	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H+2Na"	46.985712
"1432236"	263.139046	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H+HCOOH"	47.012746
"221442"	244.14854	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+3H2O+2H"	56.04448
"1515828"	277.19109	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+IsoProp+H"	61.06479
"413328"	247.102488	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+Na+K"	61.952376
"784173"	355.165638	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+Na+K"	61.952376
"1680384"	139.039338	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Na+K"	61.952376
"267022"	496.268368	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+ACN+Na"	64.015768
"1238638"	280.142068	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+ACN+Na"	64.015768
"1723149"	280.165593	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+NH4+HCOOH"	64.039293
"1185223"	95.031318	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+3Na"	68.967654
"1658396"	285.120988	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Na+HCOOH"	68.994688
"167444"	509.17164	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+2K-H"	76.91904
"599348"	725.29794	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+2K-H"	76.91904
"1087148"	293.04534	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2K-H"	76.91904
"146155"	255.089458	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"2M+2K"	77.926316
"593738"	363.152608	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"3M+2K"	77.926316
"1071323"	147.026308	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2K"	77.926316
"1102098"	295.059892	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2K+H"	78.933592
"1339823"	295.147507	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+DMSO+H"	79.021207
"1009445"	299.186676	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2ACN+H"	83.060376
"1530855"	300.180308	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+IsoProp+Na+H"	84.054008
"1001680"	150.096976	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+2ACN+2H"	84.067652
"1599462"	301.094928	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+K+HCOOH"	84.968628
"1424028"	331.126438	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+H+CF3COOH"	115.000138
"1159783"	170.610251	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+3ACN+2H"	125.094202
"1706054"	348.152985	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+NH4+CF3COOH"	132.026685
"1640613"	353.10838	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+Na+CF3COOH"	136.98208
"1574442"	369.08232	"C09243"	"Tetrahydroharmine"	"C13H16N2O"	"216.1263"	"M+K+CF3COOH"	152.95602
"811005"	336.1838	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M"	0
"984539"	317.16541	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-H2O-H"	-19.01839
"65491"	223.115257333333	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M-3H"	-3.021828
"511250"	335.176524	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M-3H"	-3.021828
"883583"	111.053990666667	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-3H"	-3.021828
"1427"	335.176524	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M-2H"	-2.014552
"443540"	503.268424	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M-2H"	-2.014552
"819520"	167.084624	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-2H"	-2.014552
"81699"	671.360324	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M-H"	-1.007276
"523445"	1007.544124	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M-H"	-1.007276
"896140"	335.176524	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-H"	-1.007276
"47599"	688.386871	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M-2H+NH4"	16.019271
"492993"	1024.570671	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M-2H+NH4"	16.019271
"867515"	352.203071	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-2H+NH4"	16.019271
"32137"	693.342266	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M-2H+Na"	20.974666
"479352"	1029.526066	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M-2H+Na"	20.974666
"850593"	357.158466	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-2H+Na"	20.974666
"1620484"	357.158466	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Na-2H"	20.974666
"102125"	353.164863	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M-H+Cl"	33.962126
"547156"	521.256763	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M-H+Cl"	33.962126
"940674"	185.072963	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-H+Cl"	33.962126
"278132"	707.337002	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+Cl"	34.969402
"673477"	1043.520802	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+Cl"	34.969402
"1281870"	371.153202	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Cl"	34.969402
"26613"	709.316206	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M-2H+K"	36.948606
"468361"	1045.500006	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M-2H+K"	36.948606
"846527"	373.132406	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-2H+K"	36.948606
"1570747"	373.132406	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+K-2H"	36.948606
"958024"	381.181994	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-H+HCOOH"	44.998194
"375026"	717.365801	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+HCOOH-H"	44.998201
"359640"	731.381451	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+Hac-H"	59.013851
"1504826"	395.197651	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Hac-H"	59.013851
"971272"	403.163951	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-H+NaCOOH"	66.980151
"122002"	371.153202	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+2Cl"	69.938804
"560098"	539.245102	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+2Cl"	69.938804
"1029264"	203.061302	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2Cl"	69.938804
"1252858"	415.102685	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Br"	78.918885
"1314214"	417.158672	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Cl+HCOOH"	80.974872
"1329523"	439.140629	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Cl+NaCOOH"	102.956829
"919489"	449.169386	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M-H+CF3COOH"	112.985586
"1294009"	485.146064	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Cl+CF3COOH"	148.962264
"1373264"	301.171124	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H-2H2O"	-35.012676
"1389666"	319.1811	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H-H2O"	-17.0027
"284613"	673.374876	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+H"	1.007276
"681776"	1009.558676	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+H"	1.007276
"1351922"	337.191076	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H"	1.007276
"127733"	337.191076	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+2H"	2.014552
"572765"	505.282976	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+2H"	2.014552
"1052630"	169.099176	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2H"	2.014552
"219556"	225.129809333333	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+3H"	3.021828
"659117"	337.191076	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+3H"	3.021828
"1176998"	113.068542666667	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+3H"	3.021828
"439178"	690.401423	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+NH4"	18.033823
"800907"	1026.585223	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+NH4"	18.033823
"1695286"	354.217623	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+NH4"	18.033823
"343325"	345.7043495	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+H+NH4"	19.041099
"734651"	513.7962495	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+H+NH4"	19.041099
"1489562"	177.6124495	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H+NH4"	19.041099
"404964"	695.356818	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+Na"	22.989218
"764133"	1031.540618	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+Na"	22.989218
"1614419"	359.173018	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Na"	22.989218
"328104"	348.182047	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+H+Na"	23.996494
"716879"	516.273947	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+H+Na"	23.996494
"1472888"	180.090147	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H+Na"	23.996494
"1063215"	120.395856666667	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2H+Na"	25.00377
"1269634"	369.217286	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+CH3OH+H"	33.033486
"388572"	711.330758	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+K"	38.963158
"748841"	1047.514558	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+K"	38.963158
"1553813"	375.146958	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+K"	38.963158
"312812"	356.169017	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+H+K"	39.970434
"705598"	524.260917	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+H+K"	39.970434
"1455043"	188.077117	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H+K"	39.970434
"241460"	714.401426	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+ACN+H"	42.033826
"1213075"	378.217626	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+ACN+H"	42.033826
"1197318"	189.612451	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+ACN+2H"	43.041102
"196386"	717.33876	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+2Na-H"	44.97116
"633031"	1053.52256	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+2Na-H"	44.97116
"1141639"	381.15496	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2Na-H"	44.97116
"181650"	359.173018	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+2Na"	45.978436
"615752"	527.264918	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+2Na"	45.978436
"1115972"	191.081118	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2Na"	45.978436
"1398595"	127.723170666667	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H+2Na"	46.985712
"1431739"	383.196546	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H+HCOOH"	47.012746
"220824"	364.20604	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+3H2O+2H"	56.04448
"1513022"	397.24859	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+IsoProp+H"	61.06479
"410886"	367.159988	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+Na+K"	61.952376
"779909"	535.251888	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+Na+K"	61.952376
"1680494"	199.068088	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Na+K"	61.952376
"266770"	736.383368	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+ACN+Na"	64.015768
"1238748"	400.199568	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+ACN+Na"	64.015768
"1722166"	400.223093	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+NH4+HCOOH"	64.039293
"1189706"	135.050484666667	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+3Na"	68.967654
"1657412"	405.178488	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Na+HCOOH"	68.994688
"160994"	749.28664	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+2K-H"	76.91904
"598728"	1085.47044	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+2K-H"	76.91904
"1086527"	413.10284	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2K-H"	76.91904
"146265"	375.146958	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"2M+2K"	77.926316
"593481"	543.238858	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"3M+2K"	77.926316
"1071797"	207.055058	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2K"	77.926316
"1101723"	415.117392	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2K+H"	78.933592
"1343213"	415.205007	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+DMSO+H"	79.021207
"1009555"	419.244176	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2ACN+H"	83.060376
"1529872"	420.237808	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+IsoProp+Na+H"	84.054008
"1002883"	210.125726	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+2ACN+2H"	84.067652
"1599572"	421.152428	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+K+HCOOH"	84.968628
"1425231"	451.183938	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+H+CF3COOH"	115.000138
"1160986"	230.639001	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+3ACN+2H"	125.094202
"1706164"	468.210485	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+NH4+CF3COOH"	132.026685
"1640723"	473.16588	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+Na+CF3COOH"	136.98208
"1574188"	489.13982	"C09244"	"Tabersonine"	"C21H24N2O2"	"336.1838"	"M+K+CF3COOH"	152.95602
"812208"	249.9968	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M"	0
"983556"	230.97841	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-H2O-H"	-19.01839
"65237"	165.657257333333	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M-3H"	-3.021828
"512453"	248.989524	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M-3H"	-3.021828
"882599"	82.3249906666667	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-3H"	-3.021828
"1173"	248.989524	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M-2H"	-2.014552
"442922"	373.987924	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M-2H"	-2.014552
"818536"	123.991124	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-2H"	-2.014552
"81809"	498.986324	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M-H"	-1.007276
"520275"	748.983124	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M-H"	-1.007276
"896983"	248.989524	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-H"	-1.007276
"47426"	516.012871	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M-2H+NH4"	16.019271
"493103"	766.009671	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M-2H+NH4"	16.019271
"871997"	266.016071	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-2H+NH4"	16.019271
"34432"	520.968266	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M-2H+Na"	20.974666
"476182"	770.965066	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M-2H+Na"	20.974666
"850703"	270.971466	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-2H+Na"	20.974666
"1621327"	270.971466	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Na-2H"	20.974666
"101142"	266.977863	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M-H+Cl"	33.962126
"542891"	391.976263	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M-H+Cl"	33.962126
"935313"	141.979463	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-H+Cl"	33.962126
"278242"	534.963002	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+Cl"	34.969402
"673587"	784.959802	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+Cl"	34.969402
"1281615"	284.966202	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Cl"	34.969402
"25266"	536.942206	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M-2H+K"	36.948606
"466648"	786.939006	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M-2H+K"	36.948606
"846637"	286.945406	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-2H+K"	36.948606
"1569398"	286.945406	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+K-2H"	36.948606
"955093"	294.994994	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-H+HCOOH"	44.998194
"375862"	544.991801	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+HCOOH-H"	44.998201
"357194"	559.007451	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+Hac-H"	59.013851
"1507123"	309.010651	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Hac-H"	59.013851
"967371"	316.976951	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-H+NaCOOH"	66.980151
"118465"	284.966202	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+2Cl"	69.938804
"559114"	409.964602	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+2Cl"	69.938804
"1031926"	159.967802	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2Cl"	69.938804
"1253336"	328.915685	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Br"	78.918885
"1316875"	330.971672	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Cl+HCOOH"	80.974872
"1330727"	352.953629	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Cl+NaCOOH"	102.956829
"921787"	362.982386	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M-H+CF3COOH"	112.985586
"1300680"	398.959064	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Cl+CF3COOH"	148.962264
"1373374"	214.984124	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H-2H2O"	-35.012676
"1389776"	232.9941	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H-H2O"	-17.0027
"284723"	501.000876	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+H"	1.007276
"681886"	750.997676	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+H"	1.007276
"1351950"	251.004076	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H"	1.007276
"126750"	251.004076	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+2H"	2.014552
"573969"	376.002476	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+2H"	2.014552
"1052377"	126.005676	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2H"	2.014552
"217963"	167.671809333333	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+3H"	3.021828
"659680"	251.004076	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+3H"	3.021828
"1177108"	84.3395426666667	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+3H"	3.021828
"439046"	518.027423	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+NH4"	18.033823
"797002"	768.024223	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+NH4"	18.033823
"1695157"	268.030623	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+NH4"	18.033823
"343802"	259.5173495	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+H+NH4"	19.041099
"735123"	384.5157495	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+H+NH4"	19.041099
"1490037"	134.5189495	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H+NH4"	19.041099
"405439"	522.982818	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+Na"	22.989218
"765339"	772.979618	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+Na"	22.989218
"1615261"	272.986018	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Na"	22.989218
"326027"	261.995047	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+H+Na"	23.996494
"719785"	386.993447	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+H+Na"	23.996494
"1472634"	136.996647	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H+Na"	23.996494
"1065514"	91.6668566666667	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2H+Na"	25.00377
"1269745"	283.030286	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+CH3OH+H"	33.033486
"389048"	538.956758	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+K"	38.963158
"752840"	788.953558	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+K"	38.963158
"1551373"	288.959958	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+K"	38.963158
"311466"	269.982017	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+H+K"	39.970434
"704981"	394.980417	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+H+K"	39.970434
"1456247"	144.983617	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H+K"	39.970434
"244849"	542.027426	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+ACN+H"	42.033826
"1217556"	292.030626	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+ACN+H"	42.033826
"1201438"	146.518951	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+ACN+2H"	43.041102
"194310"	544.96476	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+2Na-H"	44.97116
"632780"	794.96156	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+2Na-H"	44.97116
"1143940"	294.96796	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2Na-H"	44.97116
"181762"	272.986018	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+2Na"	45.978436
"615862"	397.984418	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+2Na"	45.978436
"1115683"	147.987618	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2Na"	45.978436
"1398463"	98.9941706666667	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H+2Na"	46.985712
"1431849"	297.009546	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H+HCOOH"	47.012746
"220363"	278.01904	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+3H2O+2H"	56.04448
"1513132"	311.06159	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+IsoProp+H"	61.06479
"411725"	280.972988	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+Na+K"	61.952376
"785002"	405.971388	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+Na+K"	61.952376
"1679630"	155.974588	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Na+K"	61.952376
"266761"	564.009368	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+ACN+Na"	64.015768
"1235578"	314.012568	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+ACN+Na"	64.015768
"1722276"	314.036093	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+NH4+HCOOH"	64.039293
"1187629"	106.321484666667	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+3Na"	68.967654
"1654242"	318.991488	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Na+HCOOH"	68.994688
"162197"	576.91264	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+2K-H"	76.91904
"600663"	826.90944	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+2K-H"	76.91904
"1089552"	326.91584	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2K-H"	76.91904
"142236"	288.959958	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"2M+2K"	77.926316
"590311"	413.958358	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"3M+2K"	77.926316
"1071907"	163.961558	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2K"	77.926316
"1100375"	328.930392	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2K+H"	78.933592
"1337125"	329.018007	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+DMSO+H"	79.021207
"1008571"	333.057176	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2ACN+H"	83.060376
"1531075"	334.050808	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+IsoProp+Na+H"	84.054008
"999712"	167.032226	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+2ACN+2H"	84.067652
"1600775"	334.965428	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+K+HCOOH"	84.968628
"1423155"	364.996938	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+H+CF3COOH"	115.000138
"1158910"	187.545501	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+3ACN+2H"	125.094202
"1705181"	382.023485	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+NH4+CF3COOH"	132.026685
"1640833"	386.97888	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+Na+CF3COOH"	136.98208
"1574298"	402.95282	"C09245"	"Thienodolin"	"C11H7ClN2OS"	"249.9968"	"M+K+CF3COOH"	152.95602
"812318"	614.3621	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M"	0
"984759"	595.34371	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-H2O-H"	-19.01839
"68627"	408.567457333333	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M-3H"	-3.021828
"512563"	613.354824	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M-3H"	-3.021828
"882709"	203.780090666667	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-3H"	-3.021828
"2376"	613.354824	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M-2H"	-2.014552
"444125"	920.535874	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M-2H"	-2.014552
"819739"	306.173774	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-2H"	-2.014552
"81919"	1227.716924	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M-H"	-1.007276
"522570"	1842.079024	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M-H"	-1.007276
"896485"	613.354824	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-H"	-1.007276
"48187"	1244.743471	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M-2H+NH4"	16.019271
"487989"	1859.105571	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M-2H+NH4"	16.019271
"874295"	630.381371	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-2H+NH4"	16.019271
"37822"	1249.698866	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M-2H+Na"	20.974666
"476289"	1864.060966	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M-2H+Na"	20.974666
"850813"	635.336766	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-2H+Na"	20.974666
"1621437"	635.336766	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Na-2H"	20.974666
"99065"	631.343163	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M-H+Cl"	33.962126
"545187"	938.524213	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M-H+Cl"	33.962126
"936516"	324.162113	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-H+Cl"	33.962126
"272885"	1263.693602	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+Cl"	34.969402
"668229"	1878.055702	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+Cl"	34.969402
"1280631"	649.331502	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Cl"	34.969402
"26105"	1265.672806	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M-2H+K"	36.948606
"468581"	1880.034906	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M-2H+K"	36.948606
"844924"	651.310706	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-2H+K"	36.948606
"1567684"	651.310706	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+K-2H"	36.948606
"955931"	659.360294	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-H+HCOOH"	44.998194
"374510"	1273.722401	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+HCOOH-H"	44.998201
"356939"	1287.738051	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+Hac-H"	59.013851
"1505407"	673.375951	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Hac-H"	59.013851
"970031"	681.342251	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-H+NaCOOH"	66.980151
"121490"	649.331502	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+2Cl"	69.938804
"557037"	956.512552	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+2Cl"	69.938804
"1027296"	342.150452	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2Cl"	69.938804
"1253079"	693.280985	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Br"	78.918885
"1316254"	695.336972	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Cl+HCOOH"	80.974872
"1329744"	717.318929	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Cl+NaCOOH"	102.956829
"918616"	727.347686	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M-H+CF3COOH"	112.985586
"1293136"	763.324364	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Cl+CF3COOH"	148.962264
"1374576"	579.349424	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H-2H2O"	-35.012676
"1393165"	597.3594	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H-H2O"	-17.0027
"290665"	1229.731476	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+H"	1.007276
"677983"	1844.093576	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+H"	1.007276
"1352506"	615.369376	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H"	1.007276
"127216"	615.369376	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+2H"	2.014552
"567878"	922.550426	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+2H"	2.014552
"1051754"	308.188326	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2H"	2.014552
"217343"	410.582009333333	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+3H"	3.021828
"659582"	615.369376	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+3H"	3.021828
"1177097"	205.794642666667	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+3H"	3.021828
"433930"	1246.758023	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+NH4"	18.033823
"797842"	1861.120123	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+NH4"	18.033823
"1695631"	632.395923	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+NH4"	18.033823
"344276"	623.8826495	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+H+NH4"	19.041099
"735962"	931.0636995	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+H+NH4"	19.041099
"1491240"	316.7015995	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H+NH4"	19.041099
"404454"	1251.713418	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+Na"	22.989218
"766542"	1866.075518	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+Na"	22.989218
"1618165"	637.351318	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Na"	22.989218
"326865"	626.360347	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+H+Na"	23.996494
"721475"	933.541397	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+H+Na"	23.996494
"1474568"	319.179297	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H+Na"	23.996494
"1067573"	213.121956666667	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2H+Na"	25.00377
"1271679"	647.395586	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+CH3OH+H"	33.033486
"390615"	1267.687358	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+K"	38.963158
"753679"	1882.049458	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+K"	38.963158
"1553912"	653.325258	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+K"	38.963158
"312909"	634.347317	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+H+K"	39.970434
"705453"	941.528367	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+H+K"	39.970434
"1458540"	327.166267	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H+K"	39.970434
"248237"	1270.758026	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+ACN+H"	42.033826
"1220947"	656.395926	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+ACN+H"	42.033826
"1204829"	328.701601	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+ACN+2H"	43.041102
"194419"	1273.69536	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+2Na-H"	44.97116
"631796"	1888.05746	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+2Na-H"	44.97116
"1141861"	659.33326	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2Na-H"	44.97116
"185151"	637.351318	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+2Na"	45.978436
"619251"	944.532368	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+2Na"	45.978436
"1118381"	330.170268	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2Na"	45.978436
"1399351"	220.449270666667	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H+2Na"	46.985712
"1434024"	661.374846	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H+HCOOH"	47.012746
"221532"	642.38434	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+3H2O+2H"	56.04448
"1513971"	675.42689	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+IsoProp+H"	61.06479
"412564"	645.338288	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+Na+K"	61.952376
"780130"	952.519338	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+Na+K"	61.952376
"1679623"	338.157238	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Na+K"	61.952376
"265169"	1292.739968	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+ACN+Na"	64.015768
"1239946"	678.377868	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+ACN+Na"	64.015768
"1724573"	678.401393	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+NH4+HCOOH"	64.039293
"1186646"	227.776584666667	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+3Na"	68.967654
"1654352"	683.356788	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Na+HCOOH"	68.994688
"163400"	1305.64324	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+2K-H"	76.91904
"602961"	1920.00534	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+2K-H"	76.91904
"1089659"	691.28114	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2K-H"	76.91904
"143199"	653.325258	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"2M+2K"	77.926316
"586040"	960.506308	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"3M+2K"	77.926316
"1069221"	346.144208	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2K"	77.926316
"1100724"	693.295692	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2K+H"	78.933592
"1336872"	693.383307	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+DMSO+H"	79.021207
"1006495"	697.422476	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2ACN+H"	83.060376
"1528996"	698.416108	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+IsoProp+Na+H"	84.054008
"999822"	349.214876	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+2ACN+2H"	84.067652
"1597605"	699.330728	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+K+HCOOH"	84.968628
"1424358"	729.362238	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+H+CF3COOH"	115.000138
"1159019"	369.728151	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+3ACN+2H"	125.094202
"1703103"	746.388785	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+NH4+CF3COOH"	132.026685
"1640943"	751.34418	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+Na+CF3COOH"	136.98208
"1573315"	767.31812	"C09246"	"C-Toxiferine I;Toxiferine I"	"C40H46N4O2"	"614.3621"	"M+K+CF3COOH"	152.95602
"809148"	532.1383	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M"	0
"982682"	513.11991	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-H2O-H"	-19.01839
"66550"	353.751590666667	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M-3H"	-3.021828
"512673"	531.131024	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M-3H"	-3.021828
"883912"	176.372157333333	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-3H"	-3.021828
"6861"	531.131024	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M-2H"	-2.014552
"447515"	797.200174	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M-2H"	-2.014552
"822039"	265.061874	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-2H"	-2.014552
"82030"	1063.269324	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M-H"	-1.007276
"521591"	1595.407624	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M-H"	-1.007276
"897326"	531.131024	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-H"	-1.007276
"51579"	1080.295871	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M-2H+NH4"	16.019271
"491140"	1612.434171	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M-2H+NH4"	16.019271
"871126"	548.157571	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-2H+NH4"	16.019271
"36840"	1085.251266	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M-2H+Na"	20.974666
"478589"	1617.389566	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M-2H+Na"	20.974666
"855297"	553.112966	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-2H+Na"	20.974666
"1622644"	553.112966	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Na-2H"	20.974666
"96987"	549.119363	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M-H+Cl"	33.962126
"539830"	815.188513	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M-H+Cl"	33.962126
"930065"	283.050213	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-H+Cl"	33.962126
"270809"	1099.246002	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+Cl"	34.969402
"668340"	1631.384302	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+Cl"	34.969402
"1284388"	567.107702	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Cl"	34.969402
"27673"	1101.225206	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M-2H+K"	36.948606
"470638"	1633.363506	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M-2H+K"	36.948606
"848296"	569.086906	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-2H+K"	36.948606
"1571232"	569.086906	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+K-2H"	36.948606
"957867"	577.136494	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-H+HCOOH"	44.998194
"374259"	1109.274801	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+HCOOH-H"	44.998201
"360823"	1123.290451	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+Hac-H"	59.013851
"1506248"	591.152151	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Hac-H"	59.013851
"970877"	599.118451	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-H+NaCOOH"	66.980151
"121969"	567.107702	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+2Cl"	69.938804
"564443"	833.176852	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+2Cl"	69.938804
"1027404"	301.038552	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2Cl"	69.938804
"1249905"	611.057185	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Br"	78.918885
"1313448"	613.113172	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Cl+HCOOH"	80.974872
"1328761"	635.095129	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Cl+NaCOOH"	102.956829
"919819"	645.123886	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M-H+CF3COOH"	112.985586
"1292516"	681.100564	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Cl+CF3COOH"	148.962264
"1379792"	497.125624	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H-2H2O"	-35.012676
"1389996"	515.1356	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H-H2O"	-17.0027
"290776"	1065.283876	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+H"	1.007276
"681012"	1597.422176	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+H"	1.007276
"1359548"	533.145576	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H"	1.007276
"127331"	533.145576	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+2H"	2.014552
"568352"	799.214726	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+2H"	2.014552
"1042986"	267.076426	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2H"	2.014552
"215266"	355.766142666667	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+3H"	3.021828
"659788"	533.145576	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+3H"	3.021828
"1176964"	178.386709333333	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+3H"	3.021828
"439347"	1082.310423	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+NH4"	18.033823
"796129"	1614.448723	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+NH4"	18.033823
"1692459"	550.172123	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+NH4"	18.033823
"340737"	541.6588495	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+H+NH4"	19.041099
"734250"	807.7279995	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+H+NH4"	19.041099
"1488071"	275.5896995	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H+NH4"	19.041099
"407481"	1087.265818	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+Na"	22.989218
"765560"	1619.404118	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+Na"	22.989218
"1617550"	555.127518	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Na"	22.989218
"329616"	544.136547	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+H+Na"	23.996494
"719405"	810.205697	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+H+Na"	23.996494
"1474318"	278.067397	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H+Na"	23.996494
"1068174"	185.714023333333	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2H+Na"	25.00377
"1271786"	565.171786	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+CH3OH+H"	33.033486
"389994"	1103.239758	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+K"	38.963158
"750997"	1635.378058	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+K"	38.963158
"1553780"	571.101458	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+K"	38.963158
"311319"	552.123517	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+H+K"	39.970434
"694991"	818.192667	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+H+K"	39.970434
"1449903"	286.054367	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H+K"	39.970434
"239600"	1106.310426	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+ACN+H"	42.033826
"1217776"	574.172126	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+ACN+H"	42.033826
"1201659"	287.589701	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+ACN+2H"	43.041102
"191250"	1109.24776	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+2Na-H"	44.97116
"630813"	1641.38606	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+2Na-H"	44.97116
"1132495"	577.10946	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2Na-H"	44.97116
"174451"	555.127518	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+2Na"	45.978436
"617174"	821.196668	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+2Na"	45.978436
"1118491"	289.058368	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2Na"	45.978436
"1400068"	193.041337333333	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H+2Na"	46.985712
"1434134"	579.151046	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H+HCOOH"	47.012746
"220786"	560.16054	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+3H2O+2H"	56.04448
"1509707"	593.20309	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+IsoProp+H"	61.06479
"409394"	563.114488	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+Na+K"	61.952376
"779144"	829.183638	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+Na+K"	61.952376
"1678756"	297.045338	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Na+K"	61.952376
"261996"	1128.292368	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+ACN+Na"	64.015768
"1234704"	596.154068	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+ACN+Na"	64.015768
"1719216"	596.177593	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+NH4+HCOOH"	64.039293
"1182382"	200.368651333333	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+3Na"	68.967654
"1653369"	601.132988	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Na+HCOOH"	68.994688
"166791"	1141.19564	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+2K-H"	76.91904
"609632"	1673.33394	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+2K-H"	76.91904
"1091956"	609.05734	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2K-H"	76.91904
"143309"	571.101458	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"2M+2K"	77.926316
"582260"	837.170608	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"3M+2K"	77.926316
"1071754"	305.032308	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2K"	77.926316
"1101318"	611.071892	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2K+H"	78.933592
"1338068"	611.159507	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+DMSO+H"	79.021207
"1009877"	615.198676	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2ACN+H"	83.060376
"1525821"	616.192308	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+IsoProp+Na+H"	84.054008
"990483"	308.102976	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+2ACN+2H"	84.067652
"1597715"	617.106928	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+K+HCOOH"	84.968628
"1423375"	647.138438	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+H+CF3COOH"	115.000138
"1159129"	328.616251	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+3ACN+2H"	125.094202
"1703213"	664.164985	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+NH4+CF3COOH"	132.026685
"1641053"	669.12038	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+Na+CF3COOH"	136.98208
"1573425"	685.09432	"C09247"	"Trichotomine"	"C30H20N4O6"	"532.1383"	"M+K+CF3COOH"	152.95602
"809258"	475.2835	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M"	0
"982792"	456.26511	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-H2O-H"	-19.01839
"66660"	315.848390666667	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M-3H"	-3.021828
"507315"	474.276224	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M-3H"	-3.021828
"882929"	157.420557333333	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-3H"	-3.021828
"5878"	474.276224	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M-2H"	-2.014552
"445439"	711.917974	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M-2H"	-2.014552
"822148"	236.634474	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-2H"	-2.014552
"82140"	949.559724	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M-H"	-1.007276
"519634"	1424.843224	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M-H"	-1.007276
"900594"	474.276224	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-H"	-1.007276
"51689"	966.586271	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M-2H+NH4"	16.019271
"490157"	1441.869771	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M-2H+NH4"	16.019271
"873422"	491.302771	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-2H+NH4"	16.019271
"39137"	971.541666	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M-2H+Na"	20.974666
"479791"	1446.825166	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M-2H+Na"	20.974666
"852126"	496.258166	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-2H+Na"	20.974666
"1624940"	496.258166	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Na-2H"	20.974666
"101469"	492.264563	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M-H+Cl"	33.962126
"536656"	729.906313	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M-H+Cl"	33.962126
"929082"	254.622813	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-H+Cl"	33.962126
"276386"	985.536402	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+Cl"	34.969402
"666626"	1460.819902	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+Cl"	34.969402
"1282675"	510.252902	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Cl"	34.969402
"27783"	987.515606	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M-2H+K"	36.948606
"471197"	1462.799106	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M-2H+K"	36.948606
"848410"	512.232106	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-2H+K"	36.948606
"1571260"	512.232106	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+K-2H"	36.948606
"956517"	520.281694	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-H+HCOOH"	44.998194
"372546"	995.565201	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+HCOOH-H"	44.998201
"359113"	1009.580851	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+Hac-H"	59.013851
"1504533"	534.297351	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Hac-H"	59.013851
"971351"	542.263651	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-H+NaCOOH"	66.980151
"122442"	510.252902	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+2Cl"	69.938804
"559447"	747.894652	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+2Cl"	69.938804
"1027514"	272.611152	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2Cl"	69.938804
"1250015"	554.202385	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Br"	78.918885
"1313558"	556.258372	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Cl+HCOOH"	80.974872
"1327778"	578.240329	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Cl+NaCOOH"	102.956829
"922116"	588.269086	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M-H+CF3COOH"	112.985586
"1292626"	624.245764	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Cl+CF3COOH"	148.962264
"1375893"	440.270824	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H-2H2O"	-35.012676
"1388282"	458.2808	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H-H2O"	-17.0027
"289793"	951.574276	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+H"	1.007276
"682215"	1426.857776	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+H"	1.007276
"1356378"	476.290776	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H"	1.007276
"130360"	476.290776	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+2H"	2.014552
"566755"	713.932526	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+2H"	2.014552
"1038102"	238.649026	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2H"	2.014552
"213185"	317.862942666667	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+3H"	3.021828
"658218"	476.290776	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+3H"	3.021828
"1177563"	159.435109333333	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+3H"	3.021828
"438772"	968.600823	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+NH4"	18.033823
"800617"	1443.884323	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+NH4"	18.033823
"1694030"	493.317323	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+NH4"	18.033823
"344126"	484.8040495	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+H+NH4"	19.041099
"735090"	722.4457995	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+H+NH4"	19.041099
"1490367"	247.1622995	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H+NH4"	19.041099
"407835"	973.556218	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+Na"	22.989218
"769317"	1448.839718	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+Na"	22.989218
"1616927"	498.272718	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Na"	22.989218
"329150"	487.281747	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+H+Na"	23.996494
"721696"	724.923497	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+H+Na"	23.996494
"1475517"	249.639997	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H+Na"	23.996494
"1067305"	166.762423333333	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2H+Na"	25.00377
"1264967"	508.316986	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+CH3OH+H"	33.033486
"390104"	989.530158	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+K"	38.963158
"751103"	1464.813658	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+K"	38.963158
"1552065"	514.246658	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+K"	38.963158
"309243"	495.268717	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+H+K"	39.970434
"701664"	732.910467	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+H+K"	39.970434
"1449287"	257.626967	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H+K"	39.970434
"239713"	992.600826	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+ACN+H"	42.033826
"1215699"	517.317326	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+ACN+H"	42.033826
"1199583"	259.162301	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+ACN+2H"	43.041102
"190995"	995.53816	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+2Na-H"	44.97116
"631044"	1470.82166	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+2Na-H"	44.97116
"1134429"	520.25466	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2Na-H"	44.97116
"177720"	498.272718	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+2Na"	45.978436
"616189"	735.914468	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+2Na"	45.978436
"1116288"	260.630968	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2Na"	45.978436
"1398996"	174.089737333333	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H+2Na"	46.985712
"1430837"	522.296246	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H+HCOOH"	47.012746
"220891"	503.30574	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+3H2O+2H"	56.04448
"1510909"	536.34829	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+IsoProp+H"	61.06479
"409986"	506.259688	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+Na+K"	61.952376
"779254"	743.901438	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+Na+K"	61.952376
"1677773"	268.617938	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Na+K"	61.952376
"262106"	1014.582768	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+ACN+Na"	64.015768
"1234814"	539.299268	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+ACN+Na"	64.015768
"1719326"	539.322793	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+NH4+HCOOH"	64.039293
"1187959"	181.417051333333	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+3Na"	68.967654
"1656757"	544.278188	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Na+HCOOH"	68.994688
"166901"	1027.48604	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+2K-H"	76.91904
"607554"	1502.76954	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+2K-H"	76.91904
"1090973"	552.20254	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2K-H"	76.91904
"143419"	514.246658	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"2M+2K"	77.926316
"583339"	751.888408	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"3M+2K"	77.926316
"1070768"	276.604908	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2K"	77.926316
"1102156"	554.217092	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2K+H"	78.933592
"1338176"	554.304707	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+DMSO+H"	79.021207
"1008894"	558.343876	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2ACN+H"	83.060376
"1525931"	559.337508	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+IsoProp+Na+H"	84.054008
"990793"	279.675576	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+2ACN+2H"	84.067652
"1597825"	560.252128	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+K+HCOOH"	84.968628
"1424578"	590.283638	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+H+CF3COOH"	115.000138
"1158146"	300.188851	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+3ACN+2H"	125.094202
"1703323"	607.310185	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+NH4+CF3COOH"	132.026685
"1641163"	612.26558	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+Na+CF3COOH"	136.98208
"1573535"	628.23952	"C09248"	"Tubulosine"	"C29H37N3O3"	"475.2835"	"M+K+CF3COOH"	152.95602
"809369"	432.2314	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M"	0
"976341"	413.21301	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-H2O-H"	-19.01839
"65677"	287.146990666667	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M-3H"	-3.021828
"506332"	431.224124	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M-3H"	-3.021828
"887414"	143.069857333333	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-3H"	-3.021828
"9272"	431.224124	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M-2H"	-2.014552
"451020"	647.339824	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M-2H"	-2.014552
"821167"	215.108424	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-2H"	-2.014552
"82250"	863.455524	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M-H"	-1.007276
"519257"	1295.686924	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M-H"	-1.007276
"900705"	431.224124	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-H"	-1.007276
"52892"	880.482071	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M-2H+NH4"	16.019271
"493547"	1312.713471	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M-2H+NH4"	16.019271
"872440"	448.250671	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-2H+NH4"	16.019271
"41433"	885.437466	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M-2H+Na"	20.974666
"479902"	1317.668866	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M-2H+Na"	20.974666
"852238"	453.206066	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-2H+Na"	20.974666
"1625050"	453.206066	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Na-2H"	20.974666
"98299"	449.212463	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M-H+Cl"	33.962126
"537860"	665.328163	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M-H+Cl"	33.962126
"928460"	233.096763	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-H+Cl"	33.962126
"269208"	899.432202	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+Cl"	34.969402
"663453"	1331.663602	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+Cl"	34.969402
"1278046"	467.200802	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Cl"	34.969402
"24977"	901.411406	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M-2H+K"	36.948606
"468910"	1333.642806	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M-2H+K"	36.948606
"846348"	469.180006	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-2H+K"	36.948606
"1568379"	469.180006	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+K-2H"	36.948606
"956262"	477.229594	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-H+HCOOH"	44.998194
"371924"	909.461001	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+HCOOH-H"	44.998201
"361165"	923.476651	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+Hac-H"	59.013851
"1503185"	491.245251	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Hac-H"	59.013851
"967807"	499.211551	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-H+NaCOOH"	66.980151
"121823"	467.200802	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+2Cl"	69.938804
"558465"	683.316502	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+2Cl"	69.938804
"1028358"	251.085102	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2Cl"	69.938804
"1246109"	511.150285	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Br"	78.918885
"1312574"	513.206272	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Cl+HCOOH"	80.974872
"1330070"	535.188229	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Cl+NaCOOH"	102.956829
"923319"	545.216986	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M-H+CF3COOH"	112.985586
"1294559"	581.193664	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Cl+CF3COOH"	148.962264
"1378189"	397.218724	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H-2H2O"	-35.012676
"1397876"	415.2287	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H-H2O"	-17.0027
"298404"	865.470076	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+H"	1.007276
"689983"	1297.701476	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+H"	1.007276
"1361958"	433.238676	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H"	1.007276
"137033"	433.238676	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+2H"	2.014552
"573312"	649.354376	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+2H"	2.014552
"1042110"	217.122976	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2H"	2.014552
"213295"	289.161542666667	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+3H"	3.021828
"657598"	433.238676	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+3H"	3.021828
"1177548"	145.084409333333	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+3H"	3.021828
"438882"	882.496623	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+NH4"	18.033823
"800363"	1314.728023	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+NH4"	18.033823
"1696652"	450.265223	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+NH4"	18.033823
"343877"	441.7519495	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+H+NH4"	19.041099
"735563"	657.8676495	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+H+NH4"	19.041099
"1492385"	225.6362495	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H+NH4"	19.041099
"408230"	887.452018	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+Na"	22.989218
"768939"	1319.683418	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+Na"	22.989218
"1618131"	455.220618	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Na"	22.989218
"329260"	444.229647	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+H+Na"	23.996494
"722751"	660.345347	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+H+Na"	23.996494
"1476930"	228.113947	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H+Na"	23.996494
"1068068"	152.411723333333	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2H+Na"	25.00377
"1272495"	465.264886	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+CH3OH+H"	33.033486
"391311"	903.425958	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+K"	38.963158
"751213"	1335.657358	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+K"	38.963158
"1554365"	471.194558	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+K"	38.963158
"310447"	452.216617	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+H+K"	39.970434
"703963"	668.332317	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+H+K"	39.970434
"1455594"	236.100917	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H+K"	39.970434
"244195"	906.496626	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+ACN+H"	42.033826
"1219091"	474.265226	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+ACN+H"	42.033826
"1201881"	237.636251	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+ACN+2H"	43.041102
"194753"	909.43396	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+2Na-H"	44.97116
"632127"	1341.66536	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+2Na-H"	44.97116
"1138913"	477.20256	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2Na-H"	44.97116
"178924"	455.220618	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+2Na"	45.978436
"617394"	671.336318	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+2Na"	45.978436
"1116884"	239.104918	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2Na"	45.978436
"1398511"	159.739037333333	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H+2Na"	46.985712
"1431071"	479.244146	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H+HCOOH"	47.012746
"220765"	460.25364	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+3H2O+2H"	56.04448
"1512112"	493.29619	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+IsoProp+H"	61.06479
"416173"	463.207588	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+Na+K"	61.952376
"777178"	679.323288	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+Na+K"	61.952376
"1675695"	247.091888	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Na+K"	61.952376
"258934"	928.478568	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+ACN+Na"	64.015768
"1234924"	496.247168	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+ACN+Na"	64.015768
"1719436"	496.270693	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+NH4+HCOOH"	64.039293
"1184790"	167.066351333333	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+3Na"	68.967654
"1656870"	501.226088	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Na+HCOOH"	68.994688
"167011"	941.38184	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+2K-H"	76.91904
"606571"	1373.61324	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+2K-H"	76.91904
"1093271"	509.15044	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2K-H"	76.91904
"144622"	471.194558	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"2M+2K"	77.926316
"586372"	687.310258	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"3M+2K"	77.926316
"1071245"	255.078858	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2K"	77.926316
"1103359"	511.164992	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2K+H"	78.933592
"1337680"	511.252607	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+DMSO+H"	79.021207
"1009367"	515.291776	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2ACN+H"	83.060376
"1525434"	516.285408	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+IsoProp+Na+H"	84.054008
"990908"	258.149526	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+2ACN+2H"	84.067652
"1587720"	517.200028	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+K+HCOOH"	84.968628
"1422503"	547.231538	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+H+CF3COOH"	115.000138
"1152789"	278.662801	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+3ACN+2H"	125.094202
"1699058"	564.258085	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+NH4+CF3COOH"	132.026685
"1641273"	569.21348	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+Na+CF3COOH"	136.98208
"1574738"	585.18742	"C09249"	"Usambarensine"	"C29H28N4"	"432.2314"	"M+K+CF3COOH"	152.95602
"808386"	450.2783	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M"	0
"977544"	431.25991	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-H2O-H"	-19.01839
"66880"	299.178257333333	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M-3H"	-3.021828
"509722"	449.271024	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M-3H"	-3.021828
"884244"	149.085490666667	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-3H"	-3.021828
"6101"	449.271024	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M-2H"	-2.014552
"442380"	674.410174	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M-2H"	-2.014552
"820181"	224.131874	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-2H"	-2.014552
"82360"	899.549324	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M-H"	-1.007276
"525198"	1349.827624	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M-H"	-1.007276
"904096"	449.271024	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-H"	-1.007276
"53001"	916.575871	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M-2H+NH4"	16.019271
"496933"	1366.854171	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M-2H+NH4"	16.019271
"867082"	466.297571	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-2H+NH4"	16.019271
"38262"	921.531266	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M-2H+Na"	20.974666
"480009"	1371.809566	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M-2H+Na"	20.974666
"857811"	471.252966	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-2H+Na"	20.974666
"1625157"	471.252966	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Na-2H"	20.974666
"94881"	467.259363	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M-H+Cl"	33.962126
"535169"	692.398513	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M-H+Cl"	33.962126
"928933"	242.120213	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-H+Cl"	33.962126
"271503"	935.526002	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+Cl"	34.969402
"663197"	1385.804302	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+Cl"	34.969402
"1274870"	485.247702	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Cl"	34.969402
"20708"	937.505206	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M-2H+K"	36.948606
"460268"	1387.783506	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M-2H+K"	36.948606
"839163"	487.226906	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-2H+K"	36.948606
"1562656"	487.226906	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+K-2H"	36.948606
"946160"	495.276494	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-H+HCOOH"	44.998194
"369848"	945.554801	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+HCOOH-H"	44.998201
"352638"	959.570451	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+Hac-H"	59.013851
"1500376"	509.292151	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Hac-H"	59.013851
"966824"	517.258451	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-H+NaCOOH"	66.980151
"120104"	485.247702	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+2Cl"	69.938804
"559668"	710.386852	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+2Cl"	69.938804
"1030652"	260.108552	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2Cl"	69.938804
"1243303"	529.197185	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Br"	78.918885
"1311588"	531.253172	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Cl+HCOOH"	80.974872
"1326899"	553.235129	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Cl+NaCOOH"	102.956829
"923428"	563.263886	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M-H+CF3COOH"	112.985586
"1294669"	599.240564	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Cl+CF3COOH"	148.962264
"1373924"	415.265624	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H-2H2O"	-35.012676
"1398219"	433.2756	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H-H2O"	-17.0027
"297670"	901.563876	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+H"	1.007276
"690822"	1351.842176	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+H"	1.007276
"1362068"	451.285576	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H"	1.007276
"138965"	451.285576	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+2H"	2.014552
"573422"	676.424726	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+2H"	2.014552
"1042220"	226.146426	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2H"	2.014552
"213405"	301.192809333333	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+3H"	3.021828
"656979"	451.285576	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+3H"	3.021828
"1178023"	151.100042666667	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+3H"	3.021828
"437286"	918.590423	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+NH4"	18.033823
"801083"	1368.868723	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+NH4"	18.033823
"1695950"	468.312123	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+NH4"	18.033823
"342527"	459.7988495	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+H+NH4"	19.041099
"736767"	684.9379995	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+H+NH4"	19.041099
"1491805"	234.6596995	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H+NH4"	19.041099
"407935"	923.545818	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+Na"	22.989218
"766983"	1373.824118	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+Na"	22.989218
"1613988"	473.267518	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Na"	22.989218
"329130"	462.276547	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+H+Na"	23.996494
"719728"	687.415697	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+H+Na"	23.996494
"1476714"	237.137397	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H+Na"	23.996494
"1066429"	158.427356666667	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2H+Na"	25.00377
"1270294"	483.311786	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+CH3OH+H"	33.033486
"390327"	939.519758	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+K"	38.963158
"750228"	1389.798058	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+K"	38.963158
"1554474"	489.241458	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+K"	38.963158
"309462"	470.263517	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+H+K"	39.970434
"699698"	695.402667	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+H+K"	39.970434
"1457890"	245.124367	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H+K"	39.970434
"245398"	942.590426	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+ACN+H"	42.033826
"1219201"	492.312126	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+ACN+H"	42.033826
"1203084"	246.659701	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+ACN+2H"	43.041102
"193770"	945.52776	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+2Na-H"	44.97116
"629321"	1395.80606	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+2Na-H"	44.97116
"1139023"	495.24946	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2Na-H"	44.97116
"179034"	473.267518	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+2Na"	45.978436
"617140"	698.406668	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+2Na"	45.978436
"1115672"	248.128368	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2Na"	45.978436
"1398539"	165.754670666667	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H+2Na"	46.985712
"1432274"	497.291046	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H+HCOOH"	47.012746
"220875"	478.30054	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+3H2O+2H"	56.04448
"1510764"	511.34309	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+IsoProp+H"	61.06479
"409355"	481.254488	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+Na+K"	61.952376
"778017"	706.393638	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+Na+K"	61.952376
"1675805"	256.115338	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Na+K"	61.952376
"260137"	964.572368	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+ACN+Na"	64.015768
"1230659"	514.294068	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+ACN+Na"	64.015768
"1720639"	514.317593	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+NH4+HCOOH"	64.039293
"1183807"	173.081984666667	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+3Na"	68.967654
"1656980"	519.272988	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Na+HCOOH"	68.994688
"167121"	977.47564	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+2K-H"	76.91904
"606681"	1427.75394	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+2K-H"	76.91904
"1092288"	527.19734	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2K-H"	76.91904
"144367"	489.241458	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"2M+2K"	77.926316
"586482"	714.380608	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"3M+2K"	77.926316
"1072450"	264.102308	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2K"	77.926316
"1102739"	529.211892	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2K+H"	78.933592
"1338400"	529.299507	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+DMSO+H"	79.021207
"1010206"	533.338676	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2ACN+H"	83.060376
"1524814"	534.332308	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+IsoProp+Na+H"	84.054008
"990409"	267.172976	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+2ACN+2H"	84.067652
"1587709"	535.246928	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+K+HCOOH"	84.968628
"1423706"	565.278438	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+H+CF3COOH"	115.000138
"1152899"	287.686251	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+3ACN+2H"	125.094202
"1699167"	582.304985	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+NH4+CF3COOH"	132.026685
"1638103"	587.26038	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+Na+CF3COOH"	136.98208
"1574848"	603.23432	"C09250"	"Usambarine"	"C30H34N4"	"450.2783"	"M+K+CF3COOH"	152.95602
"809589"	354.1943	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M"	0
"977654"	335.17591	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-H2O-H"	-19.01839
"69177"	235.122257333333	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M-3H"	-3.021828
"508739"	353.187024	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M-3H"	-3.021828
"881074"	117.057490666667	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-3H"	-3.021828
"4024"	353.187024	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M-2H"	-2.014552
"441397"	530.284174	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M-2H"	-2.014552
"817495"	176.089874	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-2H"	-2.014552
"84655"	707.381324	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M-H"	-1.007276
"527495"	1061.575624	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M-H"	-1.007276
"900925"	353.187024	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-H"	-1.007276
"54204"	724.407871	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M-2H+NH4"	16.019271
"495951"	1078.602171	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M-2H+NH4"	16.019271
"867192"	370.213571	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-2H+NH4"	16.019271
"37279"	729.363266	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M-2H+Na"	20.974666
"482306"	1083.557566	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M-2H+Na"	20.974666
"854640"	375.168966	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-2H+Na"	20.974666
"1623080"	375.168966	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Na-2H"	20.974666
"94583"	371.175363	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M-H+Cl"	33.962126
"535886"	548.272513	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M-H+Cl"	33.962126
"928679"	194.078213	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-H+Cl"	33.962126
"271613"	743.358002	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+Cl"	34.969402
"663671"	1097.552302	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+Cl"	34.969402
"1274981"	389.163702	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Cl"	34.969402
"19724"	745.337206	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M-2H+K"	36.948606
"460012"	1099.531506	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M-2H+K"	36.948606
"839273"	391.142906	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-2H+K"	36.948606
"1560939"	391.142906	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+K-2H"	36.948606
"947363"	399.192494	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-H+HCOOH"	44.998194
"369958"	753.386801	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+HCOOH-H"	44.998201
"352746"	767.402451	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+Hac-H"	59.013851
"1498662"	413.208151	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Hac-H"	59.013851
"968027"	421.174451	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-H+NaCOOH"	66.980151
"119121"	389.163702	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+2Cl"	69.938804
"558680"	566.260852	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+2Cl"	69.938804
"1031857"	212.066552	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2Cl"	69.938804
"1242804"	433.113185	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Br"	78.918885
"1309146"	435.169172	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Cl+HCOOH"	80.974872
"1327009"	457.151129	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Cl+NaCOOH"	102.956829
"923174"	467.179886	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M-H+CF3COOH"	112.985586
"1294779"	503.156564	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Cl+CF3COOH"	148.962264
"1374034"	319.181624	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H-2H2O"	-35.012676
"1396640"	337.1916	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H-H2O"	-17.0027
"296685"	709.395876	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+H"	1.007276
"690568"	1063.590176	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+H"	1.007276
"1362178"	355.201576	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H"	1.007276
"133972"	355.201576	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+2H"	2.014552
"573532"	532.298726	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+2H"	2.014552
"1042330"	178.104426	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2H"	2.014552
"210234"	237.136809333333	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+3H"	3.021828
"657454"	355.201576	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+3H"	3.021828
"1176674"	119.072042666667	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+3H"	3.021828
"437396"	726.422423	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+NH4"	18.033823
"800950"	1080.616723	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+NH4"	18.033823
"1695452"	372.228123	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+NH4"	18.033823
"344095"	363.7148495	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+H+NH4"	19.041099
"737121"	540.8119995	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+H+NH4"	19.041099
"1488510"	186.6176995	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H+NH4"	19.041099
"407557"	731.377818	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+Na"	22.989218
"769286"	1085.572118	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+Na"	22.989218
"1617378"	377.183518	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Na"	22.989218
"328753"	366.192547	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+H+Na"	23.996494
"719838"	543.289697	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+H+Na"	23.996494
"1471472"	189.095397	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H+Na"	23.996494
"1065809"	126.399356666667	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2H+Na"	25.00377
"1264204"	387.227786	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+CH3OH+H"	33.033486
"387156"	747.351758	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+K"	38.963158
"747058"	1101.546058	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+K"	38.963158
"1553488"	393.157458	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+K"	38.963158
"307386"	374.179517	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+H+K"	39.970434
"699808"	551.276667	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+H+K"	39.970434
"1453628"	197.082367	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H+K"	39.970434
"243322"	750.422426	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+ACN+H"	42.033826
"1217124"	396.228126	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+ACN+H"	42.033826
"1199915"	198.617701	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+ACN+2H"	43.041102
"191691"	753.35976	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+2Na-H"	44.97116
"629067"	1107.55406	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+2Na-H"	44.97116
"1138040"	399.16546	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2Na-H"	44.97116
"176958"	377.183518	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+2Na"	45.978436
"616886"	554.280668	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+2Na"	45.978436
"1115848"	200.086368	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2Na"	45.978436
"1398844"	133.726670666667	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H+2Na"	46.985712
"1430558"	401.207046	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H+HCOOH"	47.012746
"220208"	382.21654	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+3H2O+2H"	56.04448
"1510145"	415.25909	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+H"	61.06479
"413114"	385.170488	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+Na+K"	61.952376
"778491"	562.267638	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+Na+K"	61.952376
"1673728"	208.073338	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Na+K"	61.952376
"260247"	772.404368	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+ACN+Na"	64.015768
"1231862"	418.210068	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+ACN+Na"	64.015768
"1720749"	418.233593	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+NH4+HCOOH"	64.039293
"1183917"	141.053984666667	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+3Na"	68.967654
"1660370"	423.188988	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Na+HCOOH"	68.994688
"168324"	785.30764	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+2K-H"	76.91904
"606791"	1139.50194	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+2K-H"	76.91904
"1093491"	431.11334	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2K-H"	76.91904
"144477"	393.157458	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"2M+2K"	77.926316
"582454"	570.254608	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"3M+2K"	77.926316
"1072196"	216.060308	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2K"	77.926316
"1102849"	433.127892	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2K+H"	78.933592
"1336807"	433.215507	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+DMSO+H"	79.021207
"1008131"	437.254676	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2ACN+H"	83.060376
"1524228"	438.248308	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+Na+H"	84.054008
"989967"	219.130976	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+2ACN+2H"	84.067652
"1588307"	439.162928	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+K+HCOOH"	84.968628
"1423816"	469.194438	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+H+CF3COOH"	115.000138
"1156289"	239.644251	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+3ACN+2H"	125.094202
"1698548"	486.220985	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+NH4+CF3COOH"	132.026685
"1638213"	491.17638	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+Na+CF3COOH"	136.98208
"1574958"	507.15032	"C09251"	"Vincamine"	"C21H26N2O3"	"354.1943"	"M+K+CF3COOH"	152.95602
"809699"	704.3938	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M"	0
"977764"	685.37541	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-H2O-H"	-19.01839
"70380"	468.588590666667	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M-3H"	-3.021828
"505569"	703.386524	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M-3H"	-3.021828
"885560"	233.790657333333	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-3H"	-3.021828
"404"	703.386524	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M-2H"	-2.014552
"441506"	1055.583424	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M-2H"	-2.014552
"818214"	351.189624	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-2H"	-2.014552
"81486"	1407.780324	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M-H"	-1.007276
"521046"	2112.174124	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M-H"	-1.007276
"902127"	703.386524	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-H"	-1.007276
"49090"	1424.806871	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M-2H+NH4"	16.019271
"490595"	2129.200671	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M-2H+NH4"	16.019271
"866329"	720.413071	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-2H+NH4"	16.019271
"34108"	1429.762266	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M-2H+Na"	20.974666
"483509"	2134.156066	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M-2H+Na"	20.974666
"851471"	725.368466	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-2H+Na"	20.974666
"1621369"	725.368466	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Na-2H"	20.974666
"95833"	721.374863	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M-H+Cl"	33.962126
"535270"	1073.571763	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M-H+Cl"	33.962126
"927655"	369.177963	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-H+Cl"	33.962126
"268442"	1443.757002	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+Cl"	34.969402
"660742"	2148.150802	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+Cl"	34.969402
"1277644"	739.363202	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Cl"	34.969402
"20563"	1445.736206	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M-2H+K"	36.948606
"463772"	2150.130006	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M-2H+K"	36.948606
"841574"	741.342406	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-2H+K"	36.948606
"1561777"	741.342406	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+K-2H"	36.948606
"948932"	749.391994	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-H+HCOOH"	44.998194
"368973"	1453.785801	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+HCOOH-H"	44.998201
"351761"	1467.801451	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+Hac-H"	59.013851
"1500596"	763.407651	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Hac-H"	59.013851
"965953"	771.373951	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-H+NaCOOH"	66.980151
"119233"	739.363202	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+2Cl"	69.938804
"558793"	1091.560102	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+2Cl"	69.938804
"1029052"	387.166302	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2Cl"	69.938804
"1246803"	783.312685	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Br"	78.918885
"1311809"	785.368672	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Cl+HCOOH"	80.974872
"1327483"	807.350629	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Cl+NaCOOH"	102.956829
"921459"	817.379386	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M-H+CF3COOH"	112.985586
"1293067"	853.356064	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Cl+CF3COOH"	148.962264
"1374146"	669.381124	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H-2H2O"	-35.012676
"1393828"	687.3911	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H-H2O"	-17.0027
"293515"	1409.794876	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+H"	1.007276
"685939"	2114.188676	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+H"	1.007276
"1359006"	705.401076	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H"	1.007276
"135174"	705.401076	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+2H"	2.014552
"569630"	1057.597976	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+2H"	2.014552
"1043535"	353.204176	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2H"	2.014552
"212531"	470.603142666667	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+3H"	3.021828
"656469"	705.401076	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+3H"	3.021828
"1178005"	235.805209333333	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+3H"	3.021828
"439534"	1426.821423	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+NH4"	18.033823
"801187"	2131.215223	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+NH4"	18.033823
"1696784"	722.427623	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+NH4"	18.033823
"345313"	713.9143495	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+H+NH4"	19.041099
"738083"	1066.1112495	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+H+NH4"	19.041099
"1491536"	361.7174495	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H+NH4"	19.041099
"408367"	1431.776818	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+Na"	22.989218
"769847"	2136.170618	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+Na"	22.989218
"1618324"	727.383018	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Na"	22.989218
"327526"	716.392047	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+H+Na"	23.996494
"721530"	1068.588947	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+H+Na"	23.996494
"1474864"	364.195147	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H+Na"	23.996494
"1065919"	243.132523333333	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2H+Na"	25.00377
"1269783"	737.427286	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+CH3OH+H"	33.033486
"389454"	1447.750758	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+K"	38.963158
"749358"	2152.144558	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+K"	38.963158
"1554818"	743.356958	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+K"	38.963158
"309683"	724.379017	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+H+K"	39.970434
"694453"	1076.575917	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+H+K"	39.970434
"1454834"	372.182117	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H+K"	39.970434
"236264"	1450.821426	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+ACN+H"	42.033826
"1219423"	746.427626	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+ACN+H"	42.033826
"1203306"	373.717451	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+ACN+2H"	43.041102
"198363"	1453.75876	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+2Na-H"	44.97116
"630271"	2158.15256	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+2Na-H"	44.97116
"1133048"	749.36496	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2Na-H"	44.97116
"173661"	727.383018	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+2Na"	45.978436
"613711"	1079.579918	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+2Na"	45.978436
"1116039"	375.186118	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2Na"	45.978436
"1398711"	250.459837333333	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H+2Na"	46.985712
"1430303"	751.406546	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H+HCOOH"	47.012746
"220606"	732.41604	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+3H2O+2H"	56.04448
"1512807"	765.45859	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+IsoProp+H"	61.06479
"411035"	735.369988	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+Na+K"	61.952376
"778599"	1087.566888	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+Na+K"	61.952376
"1678210"	383.173088	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Na+K"	61.952376
"263636"	1472.803368	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+ACN+Na"	64.015768
"1233065"	768.409568	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+ACN+Na"	64.015768
"1719763"	768.433093	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+NH4+HCOOH"	64.039293
"1189494"	257.787151333333	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+3Na"	68.967654
"1660480"	773.388488	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Na+HCOOH"	68.994688
"168434"	1485.70664	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+2K-H"	76.91904
"606901"	2190.10044	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+2K-H"	76.91904
"1095787"	781.31284	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2K-H"	76.91904
"148229"	743.356958	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"2M+2K"	77.926316
"583537"	1095.553858	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"3M+2K"	77.926316
"1070238"	391.160058	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2K"	77.926316
"1101624"	783.327392	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2K+H"	78.933592
"1340802"	783.415007	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+DMSO+H"	79.021207
"1008240"	787.454176	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2ACN+H"	83.060376
"1524282"	788.447808	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+IsoProp+Na+H"	84.054008
"990017"	394.230726	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+2ACN+2H"	84.067652
"1587930"	789.362428	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+K+HCOOH"	84.968628
"1416266"	819.393938	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+H+CF3COOH"	115.000138
"1156399"	414.744001	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+3ACN+2H"	125.094202
"1697564"	836.420485	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+NH4+CF3COOH"	132.026685
"1638323"	841.37588	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+Na+CF3COOH"	136.98208
"1573975"	857.34982	"C09252"	"Voacamine;Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate"	"C43H52N4O5"	"704.3938"	"M+K+CF3COOH"	152.95602
"808716"	352.1787	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M"	0
"983342"	333.16031	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"68303"	233.778524	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"504950"	351.171424	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"882389"	116.385624	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"4242"	351.171424	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"444896"	527.260774	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"820510"	175.082074	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"83782"	703.350124	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"520183"	1055.528824	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"904423"	351.171424	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"54424"	720.376671	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"488880"	1072.555371	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"865830"	368.197971	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"32394"	725.332066	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"474021"	1077.510766	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"851581"	373.153366	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1619411"	373.153366	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"95943"	369.159763	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"535379"	545.249113	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"931818"	193.070413	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"274020"	739.326802	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"662432"	1091.505502	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1281765"	387.148102	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"22860"	741.306006	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"463883"	1093.484706	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"839493"	389.127306	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1562981"	389.127306	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"949407"	397.176894	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"370175"	749.355601	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"351506"	763.371251	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1501800"	411.192551	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"966060"	419.158851	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"120801"	387.148102	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"561089"	563.237452	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1032077"	211.058752	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1245092"	431.097585	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1315198"	433.153572	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1327229"	455.135529	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"921569"	465.164286	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1298278"	501.140964	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1371338"	317.166024	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1393938"	335.176	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"295811"	705.364676	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"687140"	1057.543376	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1362396"	353.185976	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"132004"	353.185976	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"570469"	529.275326	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1046924"	177.096626	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"213735"	235.793076	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"659253"	353.185976	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1176899"	118.400176	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"438714"	722.391223	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"801355"	1074.569923	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1696896"	370.212523	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"345422"	361.6992495	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"738448"	537.7885995	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1492659"	185.6098995	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"408462"	727.346618	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"769015"	1079.525318	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1616505"	375.167918	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"327636"	364.176947	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"722123"	540.266297	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1474609"	188.087597	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1066029"	125.72749	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1267708"	385.212186	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"388471"	743.320558	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"748372"	1095.499258	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1552615"	391.141858	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"308700"	372.163917	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"700027"	548.253267	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1452757"	196.074567	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"244637"	746.391226	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1216252"	394.212526	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1202323"	197.609901	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"193005"	749.32856	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"630381"	1101.50726	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1134251"	397.14986	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"173773"	375.167918	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"613942"	551.257268	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1115862"	199.078568	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1398476"	133.054804	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1431511"	399.191446	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"221934"	380.20094	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1513646"	413.24349	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"413332"	383.154888	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"777614"	559.244238	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1673947"	207.065538	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"264839"	768.373168	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1230988"	416.194468	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1718780"	416.217993	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1189604"	140.382118	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1659496"	421.173388	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"168544"	781.27644	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"604823"	1133.45514	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1095896"	429.09774	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"147246"	391.141858	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"584986"	567.231208	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1072416"	215.052508	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1101369"	431.112292	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1338724"	431.199907	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1008349"	435.239076	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1526239"	436.232708	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"992932"	218.123176	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1587799"	437.147328	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1416742"	467.178838	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1153229"	238.636451	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1697674"	484.205385	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1638433"	489.16078	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1572992"	505.13472	"C09253"	"Vobasine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"808826"	718.373	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M"	0
"980172"	699.35461	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-H2O-H"	-19.01839
"66227"	477.908057333333	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M-3H"	-3.021828
"504331"	717.365724	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M-3H"	-3.021828
"882134"	238.450390666667	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-3H"	-3.021828
"3622"	717.365724	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M-2H"	-2.014552
"446099"	1076.552224	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M-2H"	-2.014552
"820621"	358.179224	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-2H"	-2.014552
"84985"	1435.738724	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M-H"	-1.007276
"519319"	2154.111724	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M-H"	-1.007276
"904533"	717.365724	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-H"	-1.007276
"50161"	1452.765271	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M-2H+NH4"	16.019271
"488140"	2171.138271	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M-2H+NH4"	16.019271
"865577"	734.392271	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-2H+NH4"	16.019271
"34328"	1457.720666	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M-2H+Na"	20.974666
"477169"	2176.093666	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M-2H+Na"	20.974666
"858251"	739.347666	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-2H+Na"	20.974666
"1618471"	739.347666	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Na-2H"	20.974666
"94836"	735.354063	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M-H+Cl"	33.962126
"534557"	1094.540563	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M-H+Cl"	33.962126
"930835"	376.167563	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-H+Cl"	33.962126
"273766"	1471.715402	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+Cl"	34.969402
"662542"	2190.088402	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+Cl"	34.969402
"1285155"	753.342402	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Cl"	34.969402
"23335"	1473.694606	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M-2H+K"	36.948606
"466179"	2192.067606	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M-2H+K"	36.948606
"838511"	755.321606	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-2H+K"	36.948606
"1561999"	755.321606	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+K-2H"	36.948606
"949882"	763.371194	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-H+HCOOH"	44.998194
"372472"	1481.744201	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+HCOOH-H"	44.998201
"349796"	1495.759851	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+Hac-H"	59.013851
"1501909"	777.386851	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Hac-H"	59.013851
"966170"	785.353151	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-H+NaCOOH"	66.980151
"119818"	753.342402	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+2Cl"	69.938804
"557920"	1112.528902	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+2Cl"	69.938804
"1027815"	394.155902	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2Cl"	69.938804
"1245567"	797.291885	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Br"	78.918885
"1314215"	799.347872	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Cl+HCOOH"	80.974872
"1325152"	821.329829	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Cl+NaCOOH"	102.956829
"918398"	831.358586	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M-H+CF3COOH"	112.985586
"1296200"	867.335264	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Cl+CF3COOH"	148.962264
"1374362"	683.360324	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H-2H2O"	-35.012676
"1384206"	701.3703	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H-H2O"	-17.0027
"291547"	1437.753276	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+H"	1.007276
"686157"	2156.126276	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+H"	1.007276
"1357039"	719.380276	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H"	1.007276
"129926"	719.380276	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+2H"	2.014552
"567298"	1078.566776	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+2H"	2.014552
"1044848"	360.193776	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2H"	2.014552
"213845"	479.922609333333	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+3H"	3.021828
"658999"	719.380276	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+3H"	3.021828
"1177617"	240.464942666667	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+3H"	3.021828
"439675"	1454.779823	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+NH4"	18.033823
"801292"	2173.152823	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+NH4"	18.033823
"1696718"	736.406823	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+NH4"	18.033823
"345484"	727.8935495	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+H+NH4"	19.041099
"738353"	1087.0800495	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+H+NH4"	19.041099
"1492675"	368.7070495	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H+NH4"	19.041099
"408212"	1459.735218	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+Na"	22.989218
"769905"	2178.108218	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+Na"	22.989218
"1616615"	741.362218	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Na"	22.989218
"329883"	730.371247	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+H+Na"	23.996494
"722682"	1089.557747	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+H+Na"	23.996494
"1473990"	371.184747	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H+Na"	23.996494
"1067232"	247.792256666667	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2H+Na"	25.00377
"1267818"	751.406486	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+CH3OH+H"	33.033486
"387487"	1475.709158	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+K"	38.963158
"746296"	2194.082158	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+K"	38.963158
"1552725"	757.336158	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+K"	38.963158
"306624"	738.358217	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+H+K"	39.970434
"700137"	1097.544717	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+H+K"	39.970434
"1451774"	379.171717	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H+K"	39.970434
"241468"	1478.779826	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+ACN+H"	42.033826
"1216362"	760.406826	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+ACN+H"	42.033826
"1200245"	380.707051	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+ACN+2H"	43.041102
"198582"	1481.71716	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+2Na-H"	44.97116
"633042"	2200.09016	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+2Na-H"	44.97116
"1133996"	763.34416	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2Na-H"	44.97116
"182752"	741.362218	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+2Na"	45.978436
"616843"	1100.548718	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+2Na"	45.978436
"1115854"	382.175718	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2Na"	45.978436
"1398594"	255.119570666667	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H+2Na"	46.985712
"1431621"	765.385746	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H+HCOOH"	47.012746
"220584"	746.39524	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+3H2O+2H"	56.04448
"1513756"	779.43779	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+IsoProp+H"	61.06479
"413442"	749.349188	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+Na+K"	61.952376
"776631"	1108.535688	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+Na+K"	61.952376
"1675149"	390.162688	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Na+K"	61.952376
"262763"	1500.761768	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+ACN+Na"	64.015768
"1231098"	782.388768	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+ACN+Na"	64.015768
"1718161"	782.412293	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+NH4+HCOOH"	64.039293
"1189714"	262.446884666667	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+3Na"	68.967654
"1658513"	787.367688	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Na+HCOOH"	68.994688
"165374"	1513.66504	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+2K-H"	76.91904
"604933"	2232.03804	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+2K-H"	76.91904
"1092726"	795.29204	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2K-H"	76.91904
"147356"	757.336158	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"2M+2K"	77.926316
"585096"	1116.522658	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"3M+2K"	77.926316
"1072526"	398.149658	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2K"	77.926316
"1101235"	797.306592	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2K+H"	78.933592
"1338834"	797.394207	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+DMSO+H"	79.021207
"1008459"	801.433376	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2ACN+H"	83.060376
"1526594"	802.427008	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+IsoProp+Na+H"	84.054008
"992313"	401.220326	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+2ACN+2H"	84.067652
"1589732"	803.341628	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+K+HCOOH"	84.968628
"1416852"	833.373138	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+H+CF3COOH"	115.000138
"1153339"	421.733601	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+3ACN+2H"	125.094202
"1698514"	850.399685	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+NH4+CF3COOH"	132.026685
"1641823"	855.35508	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+Na+CF3COOH"	136.98208
"1574195"	871.32902	"C09254"	"Vobtusine"	"C43H50N4O6"	"718.373"	"M+K+CF3COOH"	152.95602
"808936"	380.1736	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M"	0
"980282"	361.15521	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-H2O-H"	-19.01839
"69617"	252.441790666667	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M-3H"	-3.021828
"505171"	379.166324	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M-3H"	-3.021828
"880299"	125.717257333333	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-3H"	-3.021828
"2275"	379.166324	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M-2H"	-2.014552
"442930"	569.253124	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M-2H"	-2.014552
"824011"	189.079524	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-2H"	-2.014552
"88378"	759.339924	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M-H"	-1.007276
"522469"	1139.513524	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M-H"	-1.007276
"907559"	379.166324	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-H"	-1.007276
"53551"	776.366471	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M-2H+NH4"	16.019271
"488737"	1156.540071	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M-2H+NH4"	16.019271
"865566"	396.192871	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-2H+NH4"	16.019271
"36625"	781.321866	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M-2H+Na"	20.974666
"472175"	1161.495466	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M-2H+Na"	20.974666
"851802"	401.148266	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-2H+Na"	20.974666
"1619391"	401.148266	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Na-2H"	20.974666
"94451"	397.154663	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M-H+Cl"	33.962126
"534269"	587.241463	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M-H+Cl"	33.962126
"934225"	207.067863	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-H+Cl"	33.962126
"269866"	795.316602	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+Cl"	34.969402
"664475"	1175.490202	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+Cl"	34.969402
"1284171"	415.143002	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Cl"	34.969402
"24538"	797.295806	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M-2H+K"	36.948606
"466287"	1177.469406	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M-2H+K"	36.948606
"839714"	417.122206	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-2H+K"	36.948606
"1561016"	417.122206	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+K-2H"	36.948606
"949992"	425.171794	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-H+HCOOH"	44.998194
"372582"	805.345401	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+HCOOH-H"	44.998201
"349906"	819.361051	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+Hac-H"	59.013851
"1504206"	439.187451	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Hac-H"	59.013851
"966280"	447.153751	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-H+NaCOOH"	66.980151
"118472"	415.143002	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+2Cl"	69.938804
"560216"	605.229802	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+2Cl"	69.938804
"1031202"	225.056202	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2Cl"	69.938804
"1245676"	459.092485	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Br"	78.918885
"1315418"	461.148472	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Cl+HCOOH"	80.974872
"1325262"	483.130429	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Cl+NaCOOH"	102.956829
"919601"	493.159186	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M-H+CF3COOH"	112.985586
"1296310"	529.135864	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Cl+CF3COOH"	148.962264
"1373379"	345.160924	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H-2H2O"	-35.012676
"1389783"	363.1709	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H-H2O"	-17.0027
"291657"	761.354476	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+H"	1.007276
"686267"	1141.528076	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+H"	1.007276
"1357149"	381.180876	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H"	1.007276
"132222"	381.180876	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+2H"	2.014552
"570688"	571.267676	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+2H"	2.014552
"1044958"	191.094076	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2H"	2.014552
"213955"	254.456342666667	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+3H"	3.021828
"658989"	381.180876	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+3H"	3.021828
"1178095"	127.731809333333	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+3H"	3.021828
"438935"	778.381023	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+NH4"	18.033823
"801232"	1158.554623	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+NH4"	18.033823
"1696875"	398.207423	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+NH4"	18.033823
"345604"	389.6941495	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+H+NH4"	19.041099
"738343"	579.7809495	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+H+NH4"	19.041099
"1492239"	199.6073495	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H+NH4"	19.041099
"407761"	783.336418	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+Na"	22.989218
"769604"	1163.510018	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+Na"	22.989218
"1616726"	403.162818	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Na"	22.989218
"326763"	392.171847	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+H+Na"	23.996494
"720277"	582.258647	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+H+Na"	23.996494
"1471913"	202.085047	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H+Na"	23.996494
"1064062"	135.059123333333	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2H+Na"	25.00377
"1267930"	413.207086	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+CH3OH+H"	33.033486
"388692"	799.310358	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+K"	38.963158
"746408"	1179.483958	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+K"	38.963158
"1550648"	419.136758	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+K"	38.963158
"307828"	400.158817	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+H+K"	39.970434
"695875"	590.245617	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+H+K"	39.970434
"1449696"	210.072017	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H+K"	39.970434
"239391"	802.381026	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+ACN+H"	42.033826
"1217566"	422.207426	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+ACN+H"	42.033826
"1198169"	211.607351	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+ACN+2H"	43.041102
"193225"	805.31836	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+2Na-H"	44.97116
"631693"	1185.49196	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+2Na-H"	44.97116
"1137386"	425.14476	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2Na-H"	44.97116
"180677"	403.162818	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+2Na"	45.978436
"612890"	593.249618	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+2Na"	45.978436
"1116938"	213.076018	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2Na"	45.978436
"1398754"	142.386437333333	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H+2Na"	46.985712
"1429932"	427.186346	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H+HCOOH"	47.012746
"221304"	408.19584	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+3H2O+2H"	56.04448
"1511679"	441.23839	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+IsoProp+H"	61.06479
"416833"	411.149788	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+Na+K"	61.952376
"772732"	601.236588	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+Na+K"	61.952376
"1670885"	221.062988	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Na+K"	61.952376
"262873"	824.362968	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+ACN+Na"	64.015768
"1231207"	444.189368	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+ACN+Na"	64.015768
"1716810"	444.212893	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+NH4+HCOOH"	64.039293
"1184720"	149.713751333333	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+3Na"	68.967654
"1658623"	449.168288	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Na+HCOOH"	68.994688
"164390"	837.26624	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+2K-H"	76.91904
"605043"	1217.43984	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+2K-H"	76.91904
"1092836"	457.09264	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2K-H"	76.91904
"152934"	419.136758	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"2M+2K"	77.926316
"584842"	609.223558	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"3M+2K"	77.926316
"1070205"	229.049958	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2K"	77.926316
"1101468"	459.107192	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2K+H"	78.933592
"1341133"	459.194807	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+DMSO+H"	79.021207
"1014036"	463.233976	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2ACN+H"	83.060376
"1527797"	464.227608	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+IsoProp+Na+H"	84.054008
"992057"	232.120626	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+2ACN+2H"	84.067652
"1589842"	465.142228	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+K+HCOOH"	84.968628
"1415139"	495.173738	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+H+CF3COOH"	115.000138
"1153449"	252.633901	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+3ACN+2H"	125.094202
"1697896"	512.200285	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+NH4+CF3COOH"	132.026685
"1636100"	517.15568	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+Na+CF3COOH"	136.98208
"1574305"	533.12962	"C09255"	"Vomicine"	"C22H24N2O4"	"380.1736"	"M+K+CF3COOH"	152.95602
"810139"	354.1943	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M"	0
"983672"	335.17591	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-H2O-H"	-19.01839
"69727"	235.122257333333	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M-3H"	-3.021828
"506010"	353.187024	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M-3H"	-3.021828
"881259"	117.057490666667	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-3H"	-3.021828
"3477"	353.187024	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M-2H"	-2.014552
"445227"	530.284174	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M-2H"	-2.014552
"821934"	176.089874	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-2H"	-2.014552
"89580"	707.381324	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M-H"	-1.007276
"525860"	1061.575624	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M-H"	-1.007276
"906576"	353.187024	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-H"	-1.007276
"53660"	724.407871	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M-2H+NH4"	16.019271
"489211"	1078.602171	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M-2H+NH4"	16.019271
"868835"	370.213571	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-2H+NH4"	16.019271
"41109"	729.363266	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M-2H+Na"	20.974666
"474109"	1083.557566	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M-2H+Na"	20.974666
"851912"	375.168966	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-2H+Na"	20.974666
"1625819"	375.168966	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Na-2H"	20.974666
"94401"	371.175363	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M-H+Cl"	33.962126
"535100"	548.272513	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M-H+Cl"	33.962126
"935429"	194.078213	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-H+Cl"	33.962126
"269975"	743.358002	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+Cl"	34.969402
"663492"	1097.552302	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+Cl"	34.969402
"1282094"	389.163702	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Cl"	34.969402
"23555"	745.337206	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M-2H+K"	36.948606
"466396"	1099.531506	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M-2H+K"	36.948606
"837638"	391.142906	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-2H+K"	36.948606
"1560033"	391.142906	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+K-2H"	36.948606
"947916"	399.192494	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-H+HCOOH"	44.998194
"372692"	753.386801	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+HCOOH-H"	44.998201
"355484"	767.402451	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+Hac-H"	59.013851
"1502130"	413.208151	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Hac-H"	59.013851
"963107"	421.174451	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-H+NaCOOH"	66.980151
"120402"	389.163702	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+2Cl"	69.938804
"559233"	566.260852	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+2Cl"	69.938804
"1030220"	212.066552	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2Cl"	69.938804
"1251985"	433.113185	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Br"	78.918885
"1311154"	435.169172	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Cl+HCOOH"	80.974872
"1328651"	457.151129	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Cl+NaCOOH"	102.956829
"916430"	467.179886	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M-H+CF3COOH"	112.985586
"1295325"	503.156564	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Cl+CF3COOH"	148.962264
"1380048"	319.181624	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H-2H2O"	-35.012676
"1389892"	337.1916	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H-H2O"	-17.0027
"288486"	709.395876	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+H"	1.007276
"682002"	1063.590176	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+H"	1.007276
"1356164"	355.201576	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H"	1.007276
"133427"	355.201576	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+2H"	2.014552
"570798"	532.298726	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+2H"	2.014552
"1043974"	178.104426	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2H"	2.014552
"214065"	237.136809333333	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+3H"	3.021828
"659705"	355.201576	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+3H"	3.021828
"1177593"	119.072042666667	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+3H"	3.021828
"439169"	726.422423	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+NH4"	18.033823
"800978"	1080.616723	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+NH4"	18.033823
"1696009"	372.228123	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+NH4"	18.033823
"345019"	363.7148495	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+H+NH4"	19.041099
"737802"	540.8119995	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+H+NH4"	19.041099
"1491866"	186.6176995	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H+NH4"	19.041099
"407751"	731.377818	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+Na"	22.989218
"768987"	1085.572118	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+Na"	22.989218
"1617570"	377.183518	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Na"	22.989218
"329189"	366.192547	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+H+Na"	23.996494
"720634"	543.289697	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+H+Na"	23.996494
"1474210"	189.095397	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H+Na"	23.996494
"1064173"	126.399356666667	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2H+Na"	25.00377
"1269134"	387.227786	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+CH3OH+H"	33.033486
"388802"	747.351758	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+K"	38.963158
"748705"	1101.546058	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+K"	38.963158
"1551856"	393.157458	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+K"	38.963158
"307938"	374.179517	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+H+K"	39.970434
"693799"	551.276667	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+H+K"	39.970434
"1449806"	197.082367	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H+K"	39.970434
"238408"	750.422426	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+ACN+H"	42.033826
"1216583"	396.228126	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+ACN+H"	42.033826
"1200466"	198.617701	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+ACN+2H"	43.041102
"194429"	753.35976	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+2Na-H"	44.97116
"633988"	1107.55406	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+2Na-H"	44.97116
"1138590"	399.16546	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2Na-H"	44.97116
"183338"	377.183518	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+2Na"	45.978436
"612921"	554.280668	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+2Na"	45.978436
"1119848"	200.086368	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2Na"	45.978436
"1401184"	133.726670666667	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H+2Na"	46.985712
"1435491"	401.207046	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H+HCOOH"	47.012746
"220566"	382.21654	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+3H2O+2H"	56.04448
"1509233"	415.25909	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+H"	61.06479
"414755"	385.170488	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+Na+K"	61.952376
"772113"	562.267638	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+Na+K"	61.952376
"1669537"	208.073338	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Na+K"	61.952376
"254233"	772.404368	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+ACN+Na"	64.015768
"1228036"	418.210068	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+ACN+Na"	64.015768
"1715827"	418.233593	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+NH4+HCOOH"	64.039293
"1178996"	141.053984666667	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+3Na"	68.967654
"1653629"	423.188988	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Na+HCOOH"	68.994688
"167781"	785.30764	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+2K-H"	76.91904
"601873"	1139.50194	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+2K-H"	76.91904
"1089665"	431.11334	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2K-H"	76.91904
"147574"	393.157458	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"2M+2K"	77.926316
"585316"	570.254608	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"3M+2K"	77.926316
"1068530"	216.060308	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2K"	77.926316
"1100362"	433.127892	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2K+H"	78.933592
"1341243"	433.215507	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+DMSO+H"	79.021207
"1011960"	437.254676	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2ACN+H"	83.060376
"1524622"	438.248308	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+Na+H"	84.054008
"991438"	219.130976	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+2ACN+2H"	84.067652
"1589951"	439.162928	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+K+HCOOH"	84.968628
"1415978"	469.194438	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+H+CF3COOH"	115.000138
"1153559"	239.644251	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+3ACN+2H"	125.094202
"1699099"	486.220985	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+NH4+CF3COOH"	132.026685
"1636574"	491.17638	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+Na+CF3COOH"	136.98208
"1574415"	507.15032	"C09256"	"Yohimbine"	"C21H26N2O3"	"354.1943"	"M+K+CF3COOH"	152.95602
"816326"	570.1949	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M"	0
"989716"	551.17651	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-H2O-H"	-19.01839
"75305"	379.122657333333	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M-3H"	-3.021828
"513775"	569.187624	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M-3H"	-3.021828
"888296"	189.057690666667	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-3H"	-3.021828
"4681"	569.187624	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M-2H"	-2.014552
"446427"	854.285074	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M-2H"	-2.014552
"825323"	284.090174	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-2H"	-2.014552
"89690"	1139.382524	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M-H"	-1.007276
"525969"	1709.577424	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M-H"	-1.007276
"903770"	569.187624	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-H"	-1.007276
"51585"	1156.409071	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M-2H+NH4"	16.019271
"499163"	1726.603971	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M-2H+NH4"	16.019271
"870038"	586.214171	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-2H+NH4"	16.019271
"36847"	1161.364466	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M-2H+Na"	20.974666
"481875"	1731.559366	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M-2H+Na"	20.974666
"850929"	591.169566	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-2H+Na"	20.974666
"1618675"	591.169566	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Na-2H"	20.974666
"96264"	587.175963	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M-H+Cl"	33.962126
"535458"	872.273413	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M-H+Cl"	33.962126
"935539"	302.078513	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-H+Cl"	33.962126
"277378"	1175.359202	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+Cl"	34.969402
"670896"	1745.554102	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+Cl"	34.969402
"1283297"	605.164302	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Cl"	34.969402
"23666"	1177.338406	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M-2H+K"	36.948606
"463226"	1747.533306	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M-2H+K"	36.948606
"845403"	607.143506	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-2H+K"	36.948606
"1564517"	607.143506	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+K-2H"	36.948606
"953131"	615.193094	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-H+HCOOH"	44.998194
"370252"	1185.388001	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+HCOOH-H"	44.998201
"354500"	1199.403651	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+Hac-H"	59.013851
"1504061"	629.208751	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Hac-H"	59.013851
"968689"	637.175051	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-H+NaCOOH"	66.980151
"119783"	605.164302	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+2Cl"	69.938804
"561531"	890.261752	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+2Cl"	69.938804
"1032152"	320.066852	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2Cl"	69.938804
"1252095"	649.113785	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Br"	78.918885
"1312358"	651.169772	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Cl+HCOOH"	80.974872
"1329854"	673.151729	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Cl+NaCOOH"	102.956829
"922008"	683.180486	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M-H+CF3COOH"	112.985586
"1297624"	719.157164	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Cl+CF3COOH"	148.962264
"1379067"	535.182224	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H-2H2O"	-35.012676
"1393282"	553.1922	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H-H2O"	-17.0027
"288596"	1141.397076	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+H"	1.007276
"677371"	1711.591976	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+H"	1.007276
"1356276"	571.202176	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H"	1.007276
"132442"	571.202176	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+2H"	2.014552
"570908"	856.299626	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+2H"	2.014552
"1044084"	286.104726	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2H"	2.014552
"214175"	381.137209333333	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+3H"	3.021828
"659329"	571.202176	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+3H"	3.021828
"1178072"	191.072242666667	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+3H"	3.021828
"439610"	1158.423623	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+NH4"	18.033823
"800768"	1728.618523	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+NH4"	18.033823
"1696529"	588.228723	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+NH4"	18.033823
"344971"	579.7154495	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+H+NH4"	19.041099
"737671"	864.8128995	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+H+NH4"	19.041099
"1491604"	294.6179995	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H+NH4"	19.041099
"407127"	1163.379018	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+Na"	22.989218
"767393"	1733.573918	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+Na"	22.989218
"1617558"	593.184118	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Na"	22.989218
"328930"	582.193147	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+H+Na"	23.996494
"718314"	867.290597	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+H+Na"	23.996494
"1472134"	297.095697	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H+Na"	23.996494
"1065380"	198.399556666667	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2H+Na"	25.00377
"1268151"	603.228386	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+CH3OH+H"	33.033486
"391101"	1179.352958	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+K"	38.963158
"753190"	1749.547858	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+K"	38.963158
"1553428"	609.158058	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+K"	38.963158
"312667"	590.180117	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+H+K"	39.970434
"700472"	875.277567	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+H+K"	39.970434
"1449918"	305.082667	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H+K"	39.970434
"241800"	1182.423626	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+ACN+H"	42.033826
"1216694"	612.228726	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+ACN+H"	42.033826
"1204950"	306.618001	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+ACN+2H"	43.041102
"195635"	1185.36096	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+2Na-H"	44.97116
"630819"	1755.55586	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+2Na-H"	44.97116
"1137605"	615.16606	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2Na-H"	44.97116
"177615"	593.184118	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+2Na"	45.978436
"616079"	878.281568	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+2Na"	45.978436
"1119594"	308.086668	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2Na"	45.978436
"1398780"	205.726870666667	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H+2Na"	46.985712
"1434509"	617.207646	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H+HCOOH"	47.012746
"220554"	598.21714	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+3H2O+2H"	56.04448
"1509466"	631.25969	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+IsoProp+H"	61.06479
"413772"	601.171088	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+Na+K"	61.952376
"775139"	886.268538	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+Na+K"	61.952376
"1671470"	316.073638	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Na+K"	61.952376
"256531"	1204.405568	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+ACN+Na"	64.015768
"1229240"	634.210668	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+ACN+Na"	64.015768
"1719219"	634.234193	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+NH4+HCOOH"	64.039293
"1183846"	213.054184666667	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+3Na"	68.967654
"1655925"	639.189588	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Na+HCOOH"	68.994688
"164611"	1217.30884	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+2K-H"	76.91904
"607450"	1787.50374	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+2K-H"	76.91904
"1093055"	647.11394	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2K-H"	76.91904
"147684"	609.158058	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"2M+2K"	77.926316
"582506"	894.255508	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"3M+2K"	77.926316
"1076137"	324.060608	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2K"	77.926316
"1103878"	649.128492	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2K+H"	78.933592
"1342446"	649.216107	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+DMSO+H"	79.021207
"1013163"	653.255276	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2ACN+H"	83.060376
"1524231"	654.248908	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+IsoProp+Na+H"	84.054008
"996650"	327.131276	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+2ACN+2H"	84.067652
"1590061"	655.163528	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+K+HCOOH"	84.968628
"1422286"	685.195038	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+H+CF3COOH"	115.000138
"1156950"	347.644551	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+3ACN+2H"	125.094202
"1704313"	702.221585	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+NH4+CF3COOH"	132.026685
"1636320"	707.17698	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+Na+CF3COOH"	136.98208
"1575618"	723.15092	"C09257"	"Decuroside III"	"C26H34O14"	"570.1949"	"M+K+CF3COOH"	152.95602
"811453"	328.1311	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M"	0
"982799"	309.11271	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-H2O-H"	-19.01839
"73231"	217.746790666667	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M-3H"	-3.021828
"505138"	327.123824	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M-3H"	-3.021828
"880872"	108.369757333333	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-3H"	-3.021828
"3698"	327.123824	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M-2H"	-2.014552
"442164"	491.189374	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M-2H"	-2.014552
"817161"	163.058274	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-2H"	-2.014552
"81416"	655.254924	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M-H"	-1.007276
"519029"	983.386024	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M-H"	-1.007276
"902788"	327.123824	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-H"	-1.007276
"48535"	672.281471	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M-2H+NH4"	16.019271
"493442"	1000.412571	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M-2H+NH4"	16.019271
"867962"	344.150371	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-2H+NH4"	16.019271
"35865"	677.236866	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M-2H+Na"	20.974666
"471891"	1005.367966	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M-2H+Na"	20.974666
"849213"	349.105766	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-2H+Na"	20.974666
"1618986"	349.105766	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Na-2H"	20.974666
"96132"	345.112163	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M-H+Cl"	33.962126
"534629"	509.177713	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M-H+Cl"	33.962126
"938931"	181.046613	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-H+Cl"	33.962126
"277488"	691.231602	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+Cl"	34.969402
"671005"	1019.362702	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+Cl"	34.969402
"1283407"	363.100502	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Cl"	34.969402
"30948"	693.210806	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M-2H+K"	36.948606
"469539"	1021.341906	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M-2H+K"	36.948606
"847340"	365.079706	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-2H+K"	36.948606
"1568638"	365.079706	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+K-2H"	36.948606
"953242"	373.129294	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-H+HCOOH"	44.998194
"373643"	701.260401	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+HCOOH-H"	44.998201
"356798"	715.276051	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+Hac-H"	59.013851
"1497975"	387.144951	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Hac-H"	59.013851
"967705"	395.111251	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-H+NaCOOH"	66.980151
"117706"	363.100502	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+2Cl"	69.938804
"558360"	527.166052	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+2Cl"	69.938804
"1031532"	199.034952	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2Cl"	69.938804
"1248924"	407.049985	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Br"	78.918885
"1308094"	409.105972	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Cl+HCOOH"	80.974872
"1323403"	431.087929	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Cl+NaCOOH"	102.956829
"922118"	441.116686	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M-H+CF3COOH"	112.985586
"1301015"	477.093364	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Cl+CF3COOH"	148.962264
"1380999"	293.118424	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H-2H2O"	-35.012676
"1387927"	311.1284	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H-H2O"	-17.0027
"288707"	657.269476	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+H"	1.007276
"680035"	985.400576	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+H"	1.007276
"1360760"	329.138376	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H"	1.007276
"132554"	329.138376	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+2H"	2.014552
"574299"	493.203926	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+2H"	2.014552
"1047476"	165.072826	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2H"	2.014552
"217568"	219.761342666667	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+3H"	3.021828
"657858"	329.138376	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+3H"	3.021828
"1178374"	110.384309333333	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+3H"	3.021828
"439837"	674.296023	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+NH4"	18.033823
"801233"	1002.427123	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+NH4"	18.033823
"1696977"	346.164923	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+NH4"	18.033823
"345565"	337.6516495	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+H+NH4"	19.041099
"738227"	501.7171995	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+H+NH4"	19.041099
"1491106"	173.5860995	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H+NH4"	19.041099
"406868"	679.251418	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+Na"	22.989218
"765680"	1007.382518	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+Na"	22.989218
"1613779"	351.120318	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Na"	22.989218
"326003"	340.129347	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+H+Na"	23.996494
"722315"	504.194897	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+H+Na"	23.996494
"1476829"	176.063797	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H+Na"	23.996494
"1066584"	117.711623333333	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2H+Na"	25.00377
"1271543"	361.164586	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+CH3OH+H"	33.033486
"389024"	695.225358	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+K"	38.963158
"753625"	1023.356458	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+K"	38.963158
"1554993"	367.094258	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+K"	38.963158
"313626"	348.116317	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+H+K"	39.970434
"697301"	512.181867	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+H+K"	39.970434
"1450028"	184.050767	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H+K"	39.970434
"244097"	698.296026	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+ACN+H"	42.033826
"1221907"	370.164926	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+ACN+H"	42.033826
"1206153"	185.586101	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+ACN+2H"	43.041102
"200118"	701.23336	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+2Na-H"	44.97116
"633115"	1029.36446	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+2Na-H"	44.97116
"1137715"	373.10226	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2Na-H"	44.97116
"177725"	351.120318	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+2Na"	45.978436
"616190"	515.185868	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+2Na"	45.978436
"1120068"	187.054768	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2Na"	45.978436
"1400309"	125.038937333333	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H+2Na"	46.985712
"1432793"	375.143846	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H+HCOOH"	47.012746
"221028"	356.15334	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+3H2O+2H"	56.04448
"1513105"	389.19589	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+IsoProp+H"	61.06479
"410603"	359.107288	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+Na+K"	61.952376
"777075"	523.172838	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+Na+K"	61.952376
"1676687"	195.041738	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Na+K"	61.952376
"259926"	720.277968	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+ACN+Na"	64.015768
"1237007"	392.146868	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+ACN+Na"	64.015768
"1718967"	392.170393	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+NH4+HCOOH"	64.039293
"1190154"	132.366251333333	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+3Na"	68.967654
"1658956"	397.125788	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Na+HCOOH"	68.994688
"164723"	733.18124	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+2K-H"	76.91904
"602458"	1061.31234	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+2K-H"	76.91904
"1089886"	405.05014	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2K-H"	76.91904
"144516"	367.094258	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"2M+2K"	77.926316
"585170"	531.159808	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"3M+2K"	77.926316
"1072966"	203.028708	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2K"	77.926316
"1101190"	407.064692	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2K+H"	78.933592
"1341463"	407.152307	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+DMSO+H"	79.021207
"1007806"	411.191476	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2ACN+H"	83.060376
"1524709"	412.185108	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+IsoProp+Na+H"	84.054008
"990114"	206.099376	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+2ACN+2H"	84.067652
"1587251"	413.099728	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+K+HCOOH"	84.968628
"1419114"	443.131238	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+H+CF3COOH"	115.000138
"1157060"	226.612651	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+3ACN+2H"	125.094202
"1699684"	460.157785	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+NH4+CF3COOH"	132.026685
"1635335"	465.11318	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+Na+CF3COOH"	136.98208
"1574635"	481.08712	"C09258"	"Decursin"	"C19H20O5"	"328.1311"	"M+K+CF3COOH"	152.95602
"812656"	246.0892	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M"	0
"988742"	227.07081	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-H2O-H"	-19.01839
"76986"	163.052190666667	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M-3H"	-3.021828
"506342"	245.081924	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M-3H"	-3.021828
"880495"	81.0224573333333	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-3H"	-3.021828
"2350"	245.081924	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M-2H"	-2.014552
"441911"	368.126524	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M-2H"	-2.014552
"818619"	122.037324	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-2H"	-2.014552
"81526"	491.171124	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M-H"	-1.007276
"522181"	737.260324	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M-H"	-1.007276
"898037"	245.081924	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-H"	-1.007276
"49495"	508.197671	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M-2H+NH4"	16.019271
"492459"	754.286871	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M-2H+NH4"	16.019271
"868071"	262.108471	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-2H+NH4"	16.019271
"32568"	513.153066	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M-2H+Na"	20.974666
"471801"	759.242266	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M-2H+Na"	20.974666
"849201"	267.063866	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-2H+Na"	20.974666
"1619098"	267.063866	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Na-2H"	20.974666
"96242"	263.070263	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M-H+Cl"	33.962126
"534658"	386.114863	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M-H+Cl"	33.962126
"939041"	140.025663	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-H+Cl"	33.962126
"272131"	527.147802	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+Cl"	34.969402
"671115"	773.237002	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+Cl"	34.969402
"1283517"	281.058602	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Cl"	34.969402
"29356"	529.127006	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M-2H+K"	36.948606
"469284"	775.216206	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M-2H+K"	36.948606
"846354"	283.037806	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-2H+K"	36.948606
"1568018"	283.037806	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+K-2H"	36.948606
"954445"	291.087394	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-H+HCOOH"	44.998194
"370837"	537.176601	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+HCOOH-H"	44.998201
"355814"	551.192251	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+Hac-H"	59.013851
"1498085"	305.103051	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Hac-H"	59.013851
"966721"	313.069351	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-H+NaCOOH"	66.980151
"115629"	281.058602	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+2Cl"	69.938804
"559563"	404.103202	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+2Cl"	69.938804
"1031642"	158.014002	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2Cl"	69.938804
"1252314"	325.008085	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Br"	78.918885
"1309297"	327.064072	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Cl+HCOOH"	80.974872
"1325701"	349.046029	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Cl+NaCOOH"	102.956829
"922957"	359.074786	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M-H+CF3COOH"	112.985586
"1301854"	395.051464	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Cl+CF3COOH"	148.962264
"1380380"	211.076524	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H-2H2O"	-35.012676
"1388037"	229.0865	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H-H2O"	-17.0027
"288817"	493.185676	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+H"	1.007276
"680145"	739.274876	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+H"	1.007276
"1363058"	247.096476	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H"	1.007276
"134852"	247.096476	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+2H"	2.014552
"572223"	370.141076	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+2H"	2.014552
"1049773"	124.051876	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2H"	2.014552
"216950"	165.066742666667	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+3H"	3.021828
"659061"	247.096476	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+3H"	3.021828
"1178255"	83.0370093333333	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+3H"	3.021828
"439623"	510.212223	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+NH4"	18.033823
"801224"	756.301423	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+NH4"	18.033823
"1696339"	264.123023	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+NH4"	18.033823
"345618"	255.6097495	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+H+NH4"	19.041099
"737766"	378.6543495	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+H+NH4"	19.041099
"1490856"	132.5651495	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H+NH4"	19.041099
"406977"	515.167618	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+Na"	22.989218
"766881"	761.256818	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+Na"	22.989218
"1614983"	269.078418	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Na"	22.989218
"327207"	258.087447	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+H+Na"	23.996494
"722063"	381.132047	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+H+Na"	23.996494
"1476367"	135.042847	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H+Na"	23.996494
"1065602"	90.3643233333333	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2H+Na"	25.00377
"1270196"	279.122686	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+CH3OH+H"	33.033486
"388041"	531.141558	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+K"	38.963158
"750130"	777.230758	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+K"	38.963158
"1554738"	285.052358	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+K"	38.963158
"312645"	266.074417	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+H+K"	39.970434
"701785"	389.119017	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+H+K"	39.970434
"1452325"	143.029817	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H+K"	39.970434
"245301"	534.212226	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+ACN+H"	42.033826
"1213635"	288.123026	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+ACN+H"	42.033826
"1205170"	144.565151	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+ACN+2H"	43.041102
"193668"	537.14956	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+2Na-H"	44.97116
"632134"	783.23876	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+2Na-H"	44.97116
"1136731"	291.06036	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2Na-H"	44.97116
"175649"	269.078418	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+2Na"	45.978436
"615571"	392.123018	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+2Na"	45.978436
"1117871"	146.033818	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2Na"	45.978436
"1399933"	97.6916373333333	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H+2Na"	46.985712
"1431442"	293.101946	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H+HCOOH"	47.012746
"221137"	274.11144	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+3H2O+2H"	56.04448
"1509932"	307.15399	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+IsoProp+H"	61.06479
"411805"	277.065388	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+Na+K"	61.952376
"779372"	400.109988	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+Na+K"	61.952376
"1677891"	154.020788	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Na+K"	61.952376
"258943"	556.194168	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+ACN+Na"	64.015768
"1236026"	310.104968	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+ACN+Na"	64.015768
"1721628"	310.128493	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+NH4+HCOOH"	64.039293
"1185160"	105.018951333333	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+3Na"	68.967654
"1660159"	315.083888	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Na+HCOOH"	68.994688
"166656"	569.09744	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+2K-H"	76.91904
"606580"	815.18664	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+2K-H"	76.91904
"1089997"	323.00824	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2K-H"	76.91904
"142194"	285.052358	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"2M+2K"	77.926316
"582484"	408.096958	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"3M+2K"	77.926316
"1070035"	162.007758	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2K"	77.926316
"1100811"	325.022792	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2K+H"	78.933592
"1342666"	325.110407	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+DMSO+H"	79.021207
"1009009"	329.149576	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2ACN+H"	83.060376
"1524943"	330.143208	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+IsoProp+Na+H"	84.054008
"990536"	165.078426	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+2ACN+2H"	84.067652
"1587482"	331.057828	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+K+HCOOH"	84.968628
"1418131"	361.089338	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+H+CF3COOH"	115.000138
"1157170"	185.591701	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+3ACN+2H"	125.094202
"1699430"	378.115885	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+NH4+CF3COOH"	132.026685
"1635446"	383.07128	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+Na+CF3COOH"	136.98208
"1574745"	399.04522	"C09259"	"Decursinol"	"C14H14O4"	"246.0892"	"M+K+CF3COOH"	152.95602
"809486"	388.1522	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M"	0
"977551"	369.13381	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-H2O-H"	-19.01839
"72355"	257.760857333333	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M-3H"	-3.021828
"508639"	387.144924	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M-3H"	-3.021828
"882429"	128.376790666667	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-3H"	-3.021828
"4284"	387.144924	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M-2H"	-2.014552
"446760"	581.221024	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M-2H"	-2.014552
"820550"	193.068824	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-2H"	-2.014552
"79813"	775.297124	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M-H"	-1.007276
"520466"	1163.449324	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M-H"	-1.007276
"896080"	387.144924	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-H"	-1.007276
"47253"	792.323671	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M-2H+NH4"	16.019271
"490016"	1180.475871	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M-2H+NH4"	16.019271
"865265"	404.171471	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-2H+NH4"	16.019271
"32074"	797.279066	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M-2H+Na"	20.974666
"471745"	1185.431266	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M-2H+Na"	20.974666
"849190"	409.126866	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-2H+Na"	20.974666
"1618657"	409.126866	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Na-2H"	20.974666
"94802"	405.133263	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M-H+Cl"	33.962126
"534599"	599.209363	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M-H+Cl"	33.962126
"933681"	211.057163	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-H+Cl"	33.962126
"272241"	811.273802	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+Cl"	34.969402
"671225"	1199.426002	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+Cl"	34.969402
"1282534"	423.121602	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Cl"	34.969402
"30317"	813.253006	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M-2H+K"	36.948606
"469758"	1201.405206	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M-2H+K"	36.948606
"845735"	425.100806	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-2H+K"	36.948606
"1565942"	425.100806	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+K-2H"	36.948606
"954919"	433.150394	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-H+HCOOH"	44.998194
"372040"	821.302601	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+HCOOH-H"	44.998201
"355924"	835.318251	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+Hac-H"	59.013851
"1498195"	447.166051	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Hac-H"	59.013851
"966831"	455.132351	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-H+NaCOOH"	66.980151
"115739"	423.121602	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+2Cl"	69.938804
"559673"	617.197702	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+2Cl"	69.938804
"1031388"	229.045502	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2Cl"	69.938804
"1252060"	467.071085	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Br"	78.918885
"1309407"	469.127072	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Cl+HCOOH"	80.974872
"1325811"	491.109029	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Cl+NaCOOH"	102.956829
"923431"	501.137786	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M-H+CF3COOH"	112.985586
"1301964"	537.114464	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Cl+CF3COOH"	148.962264
"1380490"	353.139524	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H-2H2O"	-35.012676
"1388147"	371.1495	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H-H2O"	-17.0027
"288927"	777.311676	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+H"	1.007276
"680255"	1165.463876	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+H"	1.007276
"1364261"	389.159476	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H"	1.007276
"136784"	389.159476	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+2H"	2.014552
"572333"	583.235576	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+2H"	2.014552
"1048789"	195.083376	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2H"	2.014552
"218517"	259.775409333333	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+3H"	3.021828
"658078"	389.159476	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+3H"	3.021828
"1178035"	130.391342666667	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+3H"	3.021828
"439739"	794.338223	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+NH4"	18.033823
"801050"	1182.490423	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+NH4"	18.033823
"1696985"	406.186023	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+NH4"	18.033823
"345171"	397.6727495	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+H+NH4"	19.041099
"738160"	591.7488495	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+H+NH4"	19.041099
"1492058"	203.5966495	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H+NH4"	19.041099
"407457"	799.293618	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+Na"	22.989218
"766991"	1187.445818	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+Na"	22.989218
"1612905"	411.141418	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Na"	22.989218
"321849"	400.150447	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+H+Na"	23.996494
"722253"	594.226547	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+H+Na"	23.996494
"1475018"	206.074347	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H+Na"	23.996494
"1063524"	137.718656666667	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2H+Na"	25.00377
"1270306"	421.185686	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+CH3OH+H"	33.033486
"388151"	815.267558	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+K"	38.963158
"744772"	1203.419758	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+K"	38.963158
"1553022"	427.115358	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+K"	38.963158
"312026"	408.137417	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+H+K"	39.970434
"700801"	602.213517	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+H+K"	39.970434
"1451342"	214.061317	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H+K"	39.970434
"245411"	818.338226	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+ACN+H"	42.033826
"1213745"	430.186026	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+ACN+H"	42.033826
"1206009"	215.596651	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+ACN+2H"	43.041102
"193778"	821.27556	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+2Na-H"	44.97116
"631879"	1209.42776	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+2Na-H"	44.97116
"1136477"	433.12336	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2Na-H"	44.97116
"177946"	411.141418	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+2Na"	45.978436
"615680"	605.217518	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+2Na"	45.978436
"1118467"	217.065318	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2Na"	45.978436
"1400163"	145.045970666667	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H+2Na"	46.985712
"1431552"	435.164946	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H+HCOOH"	47.012746
"221613"	416.17444	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+3H2O+2H"	56.04448
"1511134"	449.21699	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+IsoProp+H"	61.06479
"411186"	419.128388	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+Na+K"	61.952376
"779482"	613.204488	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+Na+K"	61.952376
"1676907"	225.052288	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Na+K"	61.952376
"263426"	840.320168	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+ACN+Na"	64.015768
"1235042"	452.167968	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+ACN+Na"	64.015768
"1721738"	452.191493	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+NH4+HCOOH"	64.039293
"1187093"	152.373284666667	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+3Na"	68.967654
"1661361"	457.146888	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Na+HCOOH"	68.994688
"164941"	853.22344	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+2K-H"	76.91904
"602314"	1241.37564	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+2K-H"	76.91904
"1090107"	465.07124	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2K-H"	76.91904
"142912"	427.115358	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"2M+2K"	77.926316
"583562"	621.191458	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"3M+2K"	77.926316
"1070145"	233.039258	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2K"	77.926316
"1101283"	467.085792	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2K+H"	78.933592
"1340589"	467.173407	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+DMSO+H"	79.021207
"1009119"	471.212576	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2ACN+H"	83.060376
"1525781"	472.206208	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+IsoProp+Na+H"	84.054008
"990646"	236.109926	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+2ACN+2H"	84.067652
"1589294"	473.120828	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+K+HCOOH"	84.968628
"1421521"	503.152338	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+H+CF3COOH"	115.000138
"1157280"	256.623201	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+3ACN+2H"	125.094202
"1702456"	520.178885	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+NH4+CF3COOH"	132.026685
"1637015"	525.13428	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+Na+CF3COOH"	136.98208
"1574855"	541.10822	"C09260"	"Dihydrosamidin"	"C21H24O7"	"388.1522"	"M+K+CF3COOH"	152.95602
"809596"	426.1679	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M"	0
"977661"	407.14951	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-H2O-H"	-19.01839
"73559"	283.104657333333	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M-3H"	-3.021828
"504375"	425.160624	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M-3H"	-3.021828
"881083"	141.048690666667	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-3H"	-3.021828
"1843"	425.160624	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M-2H"	-2.014552
"443953"	638.244574	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M-2H"	-2.014552
"820297"	212.076674	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-2H"	-2.014552
"78605"	851.328524	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M-H"	-1.007276
"519848"	1277.496424	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M-H"	-1.007276
"895739"	425.160624	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-H"	-1.007276
"47644"	868.355071	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M-2H+NH4"	16.019271
"489398"	1294.522971	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M-2H+NH4"	16.019271
"865131"	442.187171	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-2H+NH4"	16.019271
"32913"	873.310466	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M-2H+Na"	20.974666
"471421"	1299.478366	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M-2H+Na"	20.974666
"848561"	447.142566	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-2H+Na"	20.974666
"1618753"	447.142566	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Na-2H"	20.974666
"94280"	443.148963	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M-H+Cl"	33.962126
"534319"	656.232913	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M-H+Cl"	33.962126
"928686"	230.065013	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-H+Cl"	33.962126
"272349"	887.305202	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+Cl"	34.969402
"663678"	1313.473102	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+Cl"	34.969402
"1278270"	461.137302	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Cl"	34.969402
"20826"	889.284406	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M-2H+K"	36.948606
"462573"	1315.452306	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M-2H+K"	36.948606
"838189"	463.116506	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-2H+K"	36.948606
"1563865"	463.116506	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+K-2H"	36.948606
"950655"	471.166094	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-H+HCOOH"	44.998194
"373244"	897.334001	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+HCOOH-H"	44.998201
"349473"	911.349651	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+Hac-H"	59.013851
"1495025"	485.181751	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Hac-H"	59.013851
"964754"	493.148051	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-H+NaCOOH"	66.980151
"115849"	461.137302	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+2Cl"	69.938804
"556503"	674.221252	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+2Cl"	69.938804
"1025302"	248.053352	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2Cl"	69.938804
"1245974"	505.086785	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Br"	78.918885
"1309517"	507.142772	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Cl+HCOOH"	80.974872
"1325921"	529.124729	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Cl+NaCOOH"	102.956829
"923541"	539.153486	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M-H+CF3COOH"	112.985586
"1302438"	575.130164	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Cl+CF3COOH"	148.962264
"1381329"	391.155224	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H-2H2O"	-35.012676
"1388257"	409.1652	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H-H2O"	-17.0027
"287944"	853.343076	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+H"	1.007276
"680365"	1279.510976	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+H"	1.007276
"1362185"	427.175176	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H"	1.007276
"133979"	427.175176	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+2H"	2.014552
"572443"	640.259126	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+2H"	2.014552
"1048899"	214.091226	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2H"	2.014552
"218624"	285.119209333333	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+3H"	3.021828
"657824"	427.175176	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+3H"	3.021828
"1178020"	143.063242666667	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+3H"	3.021828
"439474"	870.369623	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+NH4"	18.033823
"801239"	1296.537523	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+NH4"	18.033823
"1696438"	444.201723	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+NH4"	18.033823
"345078"	435.6884495	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+H+NH4"	19.041099
"737619"	648.7723995	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+H+NH4"	19.041099
"1490344"	222.6044995	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H+NH4"	19.041099
"402826"	875.325018	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+Na"	22.989218
"764918"	1301.492918	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+Na"	22.989218
"1611921"	449.157118	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Na"	22.989218
"321959"	438.166147	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+H+Na"	23.996494
"718754"	651.250097	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+H+Na"	23.996494
"1473669"	225.082197	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H+Na"	23.996494
"1063634"	150.390556666667	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2H+Na"	25.00377
"1270781"	459.201386	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+CH3OH+H"	33.033486
"386074"	891.298958	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+K"	38.963158
"743059"	1317.466858	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+K"	38.963158
"1551309"	465.131058	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+K"	38.963158
"310676"	446.153117	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+H+K"	39.970434
"702003"	659.237067	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+H+K"	39.970434
"1452544"	233.069167	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H+K"	39.970434
"238958"	894.369626	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+ACN+H"	42.033826
"1212759"	468.201726	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+ACN+H"	42.033826
"1201015"	234.604501	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+ACN+2H"	43.041102
"196072"	897.30696	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+2Na-H"	44.97116
"638548"	1323.47486	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+2Na-H"	44.97116
"1136586"	471.13906	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2Na-H"	44.97116
"181336"	449.157118	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+2Na"	45.978436
"613470"	662.241068	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+2Na"	45.978436
"1117849"	236.073168	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2Na"	45.978436
"1399543"	157.717870666667	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H+2Na"	46.985712
"1431300"	473.180646	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H+HCOOH"	47.012746
"220992"	454.19014	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+3H2O+2H"	56.04448
"1510152"	487.23269	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+IsoProp+H"	61.06479
"410201"	457.144088	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+Na+K"	61.952376
"780686"	670.228038	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+Na+K"	61.952376
"1675924"	244.060138	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Na+K"	61.952376
"259163"	916.351568	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+ACN+Na"	64.015768
"1234057"	490.183668	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+ACN+Na"	64.015768
"1718567"	490.207193	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+NH4+HCOOH"	64.039293
"1187202"	165.045184666667	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+3Na"	68.967654
"1659285"	495.162588	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Na+HCOOH"	68.994688
"163958"	929.25484	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+2K-H"	76.91904
"602424"	1355.42274	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+2K-H"	76.91904
"1087664"	503.08694	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2K-H"	76.91904
"142532"	465.131058	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"2M+2K"	77.926316
"581967"	678.215008	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"3M+2K"	77.926316
"1069162"	252.047108	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2K"	77.926316
"1100070"	505.101492	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2K+H"	78.933592
"1338513"	505.189107	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+DMSO+H"	79.021207
"1006312"	509.228276	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2ACN+H"	83.060376
"1524798"	510.221908	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+IsoProp+Na+H"	84.054008
"989926"	255.117776	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+2ACN+2H"	84.067652
"1587579"	511.136528	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+K+HCOOH"	84.968628
"1421631"	541.168038	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+H+CF3COOH"	115.000138
"1157390"	275.631051	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+3ACN+2H"	125.094202
"1702566"	558.194585	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+NH4+CF3COOH"	132.026685
"1637125"	563.14998	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+Na+CF3COOH"	136.98208
"1577152"	579.12392	"C09261"	"Disenecionyl cis-khellactone"	"C24H26O7"	"426.1679"	"M+K+CF3COOH"	152.95602
"810799"	402.1315	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M"	0
"977771"	383.11311	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-H2O-H"	-19.01839
"74762"	267.080390666667	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M-3H"	-3.021828
"507765"	401.124224	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M-3H"	-3.021828
"881920"	133.036557333333	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-3H"	-3.021828
"1585"	401.124224	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M-2H"	-2.014552
"445156"	602.189974	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M-2H"	-2.014552
"820405"	200.058474	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-2H"	-2.014552
"78927"	803.255724	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M-H"	-1.007276
"518659"	1205.387224	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M-H"	-1.007276
"895934"	401.124224	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-H"	-1.007276
"47879"	820.282271	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M-2H+NH4"	16.019271
"488534"	1222.413771	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M-2H+NH4"	16.019271
"864874"	418.150771	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-2H+NH4"	16.019271
"33023"	825.237666	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M-2H+Na"	20.974666
"472085"	1227.369166	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M-2H+Na"	20.974666
"849153"	423.106166	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-2H+Na"	20.974666
"1618732"	423.106166	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Na-2H"	20.974666
"95352"	419.112563	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M-H+Cl"	33.962126
"534425"	620.178313	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M-H+Cl"	33.962126
"930617"	218.046813	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-H+Cl"	33.962126
"273186"	839.232402	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+Cl"	34.969402
"664879"	1241.363902	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+Cl"	34.969402
"1278014"	437.100902	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Cl"	34.969402
"19841"	841.211606	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M-2H+K"	36.948606
"459037"	1243.343106	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M-2H+K"	36.948606
"836106"	439.080106	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-2H+K"	36.948606
"1557048"	439.080106	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+K-2H"	36.948606
"944930"	447.129694	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-H+HCOOH"	44.998194
"363147"	849.261201	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+HCOOH-H"	44.998201
"348120"	863.276851	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+Hac-H"	59.013851
"1493345"	461.145351	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Hac-H"	59.013851
"963770"	469.111651	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-H+NaCOOH"	66.980151
"114864"	437.100902	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+2Cl"	69.938804
"554058"	638.166652	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+2Cl"	69.938804
"1024680"	236.035152	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2Cl"	69.938804
"1242797"	481.050385	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Br"	78.918885
"1309627"	483.106372	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Cl+HCOOH"	80.974872
"1323844"	505.088329	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Cl+NaCOOH"	102.956829
"922558"	515.117086	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M-H+CF3COOH"	112.985586
"1302427"	551.093764	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Cl+CF3COOH"	148.962264
"1378523"	367.118824	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H-2H2O"	-35.012676
"1388367"	385.1288	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H-H2O"	-17.0027
"283922"	805.270276	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+H"	1.007276
"677195"	1207.401776	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+H"	1.007276
"1361201"	403.138776	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H"	1.007276
"136275"	403.138776	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+2H"	2.014552
"572553"	604.204526	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+2H"	2.014552
"1044633"	202.073026	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2H"	2.014552
"213629"	269.094942666667	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+3H"	3.021828
"659028"	403.138776	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+3H"	3.021828
"1177400"	135.051109333333	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+3H"	3.021828
"439459"	822.296823	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+NH4"	18.033823
"800453"	1224.428323	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+NH4"	18.033823
"1696665"	420.165323	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+NH4"	18.033823
"345431"	411.6520495	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+H+NH4"	19.041099
"737364"	612.7177995	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+H+NH4"	19.041099
"1489724"	210.5862995	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H+NH4"	19.041099
"406217"	827.252218	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+Na"	22.989218
"766484"	1229.383718	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+Na"	22.989218
"1616038"	425.120718	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Na"	22.989218
"322069"	414.129747	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+H+Na"	23.996494
"718864"	615.195497	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+H+Na"	23.996494
"1473779"	213.063997	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H+Na"	23.996494
"1062650"	142.378423333333	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2H+Na"	25.00377
"1267609"	435.164986	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+CH3OH+H"	33.033486
"383997"	843.226158	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+K"	38.963158
"746084"	1245.357658	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+K"	38.963158
"1547044"	441.094658	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+K"	38.963158
"306413"	422.116717	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+H+K"	39.970434
"698832"	623.182467	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+H+K"	39.970434
"1451560"	221.050967	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H+K"	39.970434
"237974"	846.296826	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+ACN+H"	42.033826
"1211044"	444.165326	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+ACN+H"	42.033826
"1202218"	222.586301	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+ACN+2H"	43.041102
"195089"	849.23416	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+2Na-H"	44.97116
"634650"	1251.36566	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+2Na-H"	44.97116
"1133780"	447.10266	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2Na-H"	44.97116
"179623"	425.120718	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+2Na"	45.978436
"613460"	626.186468	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+2Na"	45.978436
"1117593"	224.054968	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2Na"	45.978436
"1400382"	149.705737333333	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H+2Na"	46.985712
"1431407"	449.144246	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H+HCOOH"	47.012746
"221590"	430.15374	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+3H2O+2H"	56.04448
"1510625"	463.19629	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+IsoProp+H"	61.06479
"412132"	433.107688	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+Na+K"	61.952376
"774234"	634.173438	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+Na+K"	61.952376
"1670566"	232.041938	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Na+K"	61.952376
"255626"	868.278768	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+ACN+Na"	64.015768
"1230523"	466.147268	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+ACN+Na"	64.015768
"1715761"	466.170793	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+NH4+HCOOH"	64.039293
"1185125"	157.033051333333	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+3Na"	68.967654
"1656114"	471.126188	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Na+HCOOH"	68.994688
"162975"	881.18204	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+2K-H"	76.91904
"602534"	1283.31354	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+2K-H"	76.91904
"1085826"	479.05054	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2K-H"	76.91904
"143126"	441.094658	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"2M+2K"	77.926316
"582566"	642.160408	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"3M+2K"	77.926316
"1069146"	240.028908	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2K"	77.926316
"1100088"	481.065092	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2K+H"	78.933592
"1336310"	481.152707	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+DMSO+H"	79.021207
"1008245"	485.191876	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2ACN+H"	83.060376
"1525637"	486.185508	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+IsoProp+Na+H"	84.054008
"990057"	243.099576	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+2ACN+2H"	84.067652
"1587812"	487.100128	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+K+HCOOH"	84.968628
"1415908"	517.131638	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+H+CF3COOH"	115.000138
"1155313"	263.612851	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+3ACN+2H"	125.094202
"1702676"	534.158185	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+NH4+CF3COOH"	132.026685
"1638328"	539.11358	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+Na+CF3COOH"	136.98208
"1575075"	555.08752	"C09262"	"(3R4R)-3-Epoxyangeloyloxy-4-acetoxy-34-dihydroseselin"	"C21H22O8"	"402.1315"	"M+K+CF3COOH"	152.95602
"812003"	178.0266	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M"	0
"980068"	159.00821	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-H2O-H"	-19.01839
"74872"	117.677124	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M-3H"	-3.021828
"505688"	177.019324	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M-3H"	-3.021828
"881179"	58.334924	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-3H"	-3.021828
"2790"	177.019324	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M-2H"	-2.014552
"444903"	266.032624	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M-2H"	-2.014552
"817720"	88.006024	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-2H"	-2.014552
"79083"	355.045924	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M-H"	-1.007276
"520431"	533.072524	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M-H"	-1.007276
"896528"	177.019324	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-H"	-1.007276
"52243"	372.072471	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M-2H+NH4"	16.019271
"496178"	550.099071	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M-2H+NH4"	16.019271
"872885"	194.045871	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-2H+NH4"	16.019271
"40787"	377.027866	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M-2H+Na"	20.974666
"479253"	555.054466	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M-2H+Na"	20.974666
"853774"	199.001266	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-2H+Na"	20.974666
"1619090"	199.001266	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Na-2H"	20.974666
"103120"	195.007663	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M-H+Cl"	33.962126
"539764"	284.020963	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M-H+Cl"	33.962126
"931821"	105.994363	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-H+Cl"	33.962126
"272932"	391.022602	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+Cl"	34.969402
"666084"	569.049202	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+Cl"	34.969402
"1280676"	212.996002	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Cl"	34.969402
"19951"	393.001806	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M-2H+K"	36.948606
"460606"	571.028406	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M-2H+K"	36.948606
"838408"	214.975206	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-2H+K"	36.948606
"1556794"	214.975206	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+K-2H"	36.948606
"947595"	223.024794	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-H+HCOOH"	44.998194
"363623"	401.051401	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+HCOOH-H"	44.998201
"348600"	415.067051	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+Hac-H"	59.013851
"1494515"	237.040451	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Hac-H"	59.013851
"966067"	245.006751	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-H+NaCOOH"	66.980151
"119347"	212.996002	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+2Cl"	69.938804
"557815"	302.009302	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+2Cl"	69.938804
"1028799"	123.982702	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2Cl"	69.938804
"1243638"	256.945485	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Br"	78.918885
"1309738"	259.001472	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Cl+HCOOH"	80.974872
"1323954"	280.983429	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Cl+NaCOOH"	102.956829
"923761"	291.012186	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M-H+CF3COOH"	112.985586
"1303394"	326.988864	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Cl+CF3COOH"	148.962264
"1381800"	143.013924	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H-2H2O"	-35.012676
"1395037"	161.0239	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H-H2O"	-17.0027
"289257"	357.060476	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+H"	1.007276
"681678"	535.087076	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+H"	1.007276
"1359122"	179.033876	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H"	1.007276
"133104"	179.033876	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+2H"	2.014552
"569747"	268.047176	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+2H"	2.014552
"1044743"	90.020576	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2H"	2.014552
"213739"	119.691676	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+3H"	3.021828
"658409"	179.033876	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+3H"	3.021828
"1176903"	60.349476	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+3H"	3.021828
"439448"	374.087023	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+NH4"	18.033823
"800807"	552.113623	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+NH4"	18.033823
"1696780"	196.060423	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+NH4"	18.033823
"344325"	187.5471495	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+H+NH4"	19.041099
"738041"	276.5604495	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+H+NH4"	19.041099
"1492224"	98.5338495	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H+NH4"	19.041099
"406327"	379.042418	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+Na"	22.989218
"764045"	557.069018	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+Na"	22.989218
"1615785"	201.015818	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Na"	22.989218
"324365"	190.024847	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+H+Na"	23.996494
"717881"	279.038147	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+H+Na"	23.996494
"1475348"	101.011547	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H+Na"	23.996494
"1066409"	67.67679	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2H+Na"	25.00377
"1271000"	211.060086	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+CH3OH+H"	33.033486
"386294"	395.016358	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+K"	38.963158
"747287"	573.042958	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+K"	38.963158
"1549341"	216.989758	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+K"	38.963158
"305429"	198.011817	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+H+K"	39.970434
"694569"	287.025117	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+H+K"	39.970434
"1451670"	108.998517	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H+K"	39.970434
"240271"	398.087026	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+ACN+H"	42.033826
"1216258"	220.060426	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+ACN+H"	42.033826
"1203423"	110.533851	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+ACN+2H"	43.041102
"197386"	401.02436	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+2Na-H"	44.97116
"639134"	579.05096	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+2Na-H"	44.97116
"1140455"	222.99776	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2Na-H"	44.97116
"181557"	201.015818	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+2Na"	45.978436
"620021"	290.029118	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+2Na"	45.978436
"1120255"	112.002518	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2Na"	45.978436
"1399151"	75.004104	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H+2Na"	46.985712
"1432612"	225.039346	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H+HCOOH"	47.012746
"221941"	206.04884	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+3H2O+2H"	56.04448
"1511100"	239.09139	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+IsoProp+H"	61.06479
"411148"	209.002788	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+Na+K"	61.952376
"773979"	298.016088	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+Na+K"	61.952376
"1669946"	119.989488	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Na+K"	61.952376
"254278"	420.068968	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+ACN+Na"	64.015768
"1230268"	242.042368	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+ACN+Na"	64.015768
"1716964"	242.065893	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+NH4+HCOOH"	64.039293
"1185235"	82.331418	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+3Na"	68.967654
"1651846"	247.021288	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Na+HCOOH"	68.994688
"158098"	432.97224	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+2K-H"	76.91904
"599359"	610.99884	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+2K-H"	76.91904
"1087516"	254.94564	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2K-H"	76.91904
"145060"	216.989758	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"2M+2K"	77.926316
"586079"	306.003058	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"3M+2K"	77.926316
"1071685"	127.976458	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2K"	77.926316
"1101492"	256.960192	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2K+H"	78.933592
"1337149"	257.047807	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+DMSO+H"	79.021207
"1006652"	261.086976	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2ACN+H"	83.060376
"1525382"	262.080608	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+IsoProp+Na+H"	84.054008
"990033"	131.047126	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+2ACN+2H"	84.067652
"1587270"	262.995228	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+K+HCOOH"	84.968628
"1416383"	293.026738	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+H+CF3COOH"	115.000138
"1155423"	151.560401	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+3ACN+2H"	125.094202
"1706066"	310.053285	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+NH4+CF3COOH"	132.026685
"1638438"	315.00868	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+Na+CF3COOH"	136.98208
"1575185"	330.98262	"C09263"	"Esculetin;Aesculetin"	"C9H6O4"	"178.0266"	"M+K+CF3COOH"	152.95602
"811019"	340.0794	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M"	0
"979084"	321.06101	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-H2O-H"	-19.01839
"74982"	225.712324	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M-3H"	-3.021828
"510170"	339.072124	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M-3H"	-3.021828
"884691"	112.352524	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-3H"	-3.021828
"4722"	339.072124	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M-2H"	-2.014552
"443920"	509.111824	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M-2H"	-2.014552
"817708"	169.032424	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-2H"	-2.014552
"79640"	679.151524	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M-H"	-1.007276
"520541"	1019.230924	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M-H"	-1.007276
"899071"	339.072124	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-H"	-1.007276
"48830"	696.178071	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M-2H+NH4"	16.019271
"495195"	1036.257471	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M-2H+NH4"	16.019271
"874089"	356.098671	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-2H+NH4"	16.019271
"40896"	701.133466	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M-2H+Na"	20.974666
"481550"	1041.212866	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M-2H+Na"	20.974666
"856071"	361.054066	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-2H+Na"	20.974666
"1620503"	361.054066	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Na-2H"	20.974666
"99949"	357.060463	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M-H+Cl"	33.962126
"541698"	527.100163	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M-H+Cl"	33.962126
"931932"	187.020763	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-H+Cl"	33.962126
"272314"	715.128202	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+Cl"	34.969402
"665102"	1055.207602	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+Cl"	34.969402
"1279693"	375.048802	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Cl"	34.969402
"18239"	717.107406	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M-2H+K"	36.948606
"460716"	1057.186806	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M-2H+K"	36.948606
"838518"	377.028006	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-2H+K"	36.948606
"1557269"	377.028006	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+K-2H"	36.948606
"947705"	385.077594	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-H+HCOOH"	44.998194
"363368"	725.157001	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+HCOOH-H"	44.998201
"347617"	739.172651	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+Hac-H"	59.013851
"1494989"	399.093251	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Hac-H"	59.013851
"963991"	407.059551	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-H+NaCOOH"	66.980151
"116178"	375.048802	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+2Cl"	69.938804
"556832"	545.088502	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+2Cl"	69.938804
"1027817"	205.009102	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2Cl"	69.938804
"1242048"	418.998285	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Br"	78.918885
"1304742"	421.054272	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Cl+HCOOH"	80.974872
"1320290"	443.036229	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Cl+NaCOOH"	102.956829
"911434"	453.064986	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M-H+CF3COOH"	112.985586
"1291101"	489.041664	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Cl+CF3COOH"	148.962264
"1377647"	305.066724	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H-2H2O"	-35.012676
"1391864"	323.0767	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H-H2O"	-17.0027
"287178"	681.166076	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+H"	1.007276
"681787"	1021.245476	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+H"	1.007276
"1351329"	341.086676	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H"	1.007276
"134307"	341.086676	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+2H"	2.014552
"569857"	511.126376	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+2H"	2.014552
"1042665"	171.046976	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2H"	2.014552
"212755"	227.726876	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+3H"	3.021828
"658520"	341.086676	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+3H"	3.021828
"1177134"	114.367076	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+3H"	3.021828
"439315"	698.192623	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+NH4"	18.033823
"799458"	1038.272023	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+NH4"	18.033823
"1696154"	358.113223	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+NH4"	18.033823
"344433"	349.5999495	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+H+NH4"	19.041099
"738510"	519.6396495	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+H+NH4"	19.041099
"1492621"	179.5602495	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H+NH4"	19.041099
"408260"	703.148018	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+Na"	22.989218
"768159"	1043.227418	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+Na"	22.989218
"1616259"	363.068618	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Na"	22.989218
"326661"	352.077647	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+H+Na"	23.996494
"717991"	522.117347	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+H+Na"	23.996494
"1475092"	182.037947	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H+Na"	23.996494
"1066516"	121.69439	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2H+Na"	25.00377
"1268923"	373.112886	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+CH3OH+H"	33.033486
"384217"	719.121958	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+K"	38.963158
"745212"	1059.201358	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+K"	38.963158
"1549451"	379.042558	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+K"	38.963158
"306632"	360.064617	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+H+K"	39.970434
"696865"	530.104317	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+H+K"	39.970434
"1452873"	190.024917	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H+K"	39.970434
"240381"	722.192626	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+ACN+H"	42.033826
"1215275"	382.113226	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+ACN+H"	42.033826
"1204627"	191.560251	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+ACN+2H"	43.041102
"199686"	725.12996	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+2Na-H"	44.97116
"637061"	1065.20936	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+2Na-H"	44.97116
"1136555"	385.05056	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2Na-H"	44.97116
"183855"	363.068618	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+2Na"	45.978436
"620861"	533.108318	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+2Na"	45.978436
"1121458"	193.028918	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2Na"	45.978436
"1398654"	129.021704	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H+2Na"	46.985712
"1432719"	387.092146	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H+HCOOH"	47.012746
"221684"	368.10164	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+3H2O+2H"	56.04448
"1509748"	401.14419	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+IsoProp+H"	61.06479
"408824"	371.055588	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+Na+K"	61.952376
"775547"	541.095288	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+Na+K"	61.952376
"1671878"	201.015888	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Na+K"	61.952376
"256210"	744.174568	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+ACN+Na"	64.015768
"1231469"	404.095168	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+ACN+Na"	64.015768
"1718897"	404.118693	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+NH4+HCOOH"	64.039293
"1185345"	136.349018	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+3Na"	68.967654
"1653777"	409.074088	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Na+HCOOH"	68.994688
"159545"	757.07784	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+2K-H"	76.91904
"599468"	1097.15724	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+2K-H"	76.91904
"1086531"	416.99844	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2K-H"	76.91904
"145172"	379.042558	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"2M+2K"	77.926316
"586189"	549.082258	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"3M+2K"	77.926316
"1070702"	209.002858	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2K"	77.926316
"1103547"	419.012992	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2K+H"	78.933592
"1336529"	419.100607	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+DMSO+H"	79.021207
"1006517"	423.139776	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2ACN+H"	83.060376
"1525614"	424.133408	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+IsoProp+Na+H"	84.054008
"989964"	212.073526	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+2ACN+2H"	84.067652
"1587665"	425.048028	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+K+HCOOH"	84.968628
"1416493"	455.079538	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+H+CF3COOH"	115.000138
"1155533"	232.586801	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+3ACN+2H"	125.094202
"1706176"	472.106085	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+NH4+CF3COOH"	132.026685
"1638548"	477.06148	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+Na+CF3COOH"	136.98208
"1575295"	493.03542	"C09264"	"Esculin;Esculoside"	"C15H16O9"	"340.0794"	"M+K+CF3COOH"	152.95602
"811130"	208.0372	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M"	0
"978101"	189.01881	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-H2O-H"	-19.01839
"75092"	137.684190666667	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M-3H"	-3.021828
"504814"	207.029924	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M-3H"	-3.021828
"880793"	68.3384573333333	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-3H"	-3.021828
"3375"	207.029924	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M-2H"	-2.014552
"441844"	311.048524	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M-2H"	-2.014552
"817209"	103.011324	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-2H"	-2.014552
"79994"	415.067124	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M-H"	-1.007276
"521380"	623.104324	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M-H"	-1.007276
"902462"	207.029924	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-H"	-1.007276
"51370"	432.093671	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M-2H+NH4"	16.019271
"496398"	640.130871	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M-2H+NH4"	16.019271
"874199"	224.056471	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-2H+NH4"	16.019271
"35906"	437.049066	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M-2H+Na"	20.974666
"483847"	645.086266	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M-2H+Na"	20.974666
"857275"	229.011866	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-2H+Na"	20.974666
"1619520"	229.011866	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Na-2H"	20.974666
"98602"	225.018263	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M-H+Cl"	33.962126
"540350"	329.036863	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M-H+Cl"	33.962126
"933500"	120.999663	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-H+Cl"	33.962126
"272424"	451.043802	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+Cl"	34.969402
"665212"	659.081002	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+Cl"	34.969402
"1277616"	243.006602	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Cl"	34.969402
"18712"	453.023006	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M-2H+K"	36.948606
"460826"	661.060206	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M-2H+K"	36.948606
"836441"	244.985806	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-2H+K"	36.948606
"1558837"	244.985806	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+K-2H"	36.948606
"947814"	253.035394	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-H+HCOOH"	44.998194
"364936"	461.072601	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+HCOOH-H"	44.998201
"347727"	475.088251	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+Hac-H"	59.013851
"1495464"	267.051051	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Hac-H"	59.013851
"964101"	275.017351	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-H+NaCOOH"	66.980151
"117381"	243.006602	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+2Cl"	69.938804
"555848"	347.025202	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+2Cl"	69.938804
"1030114"	138.988002	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2Cl"	69.938804
"1244225"	286.956085	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Br"	78.918885
"1304603"	289.012072	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Cl+HCOOH"	80.974872
"1320762"	310.994029	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Cl+NaCOOH"	102.956829
"912102"	321.022786	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M-H+CF3COOH"	112.985586
"1291211"	356.999464	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Cl+CF3COOH"	148.962264
"1373383"	173.024524	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H-2H2O"	-35.012676
"1391974"	191.0345	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H-H2O"	-17.0027
"285101"	417.081676	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+H"	1.007276
"678617"	625.118876	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+H"	1.007276
"1352046"	209.044476	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H"	1.007276
"129677"	209.044476	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+2H"	2.014552
"570694"	313.063076	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+2H"	2.014552
"1041682"	105.025876	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2H"	2.014552
"207395"	139.698742666667	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+3H"	3.021828
"657174"	209.044476	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+3H"	3.021828
"1178398"	70.3530093333333	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+3H"	3.021828
"439962"	434.108223	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+NH4"	18.033823
"800299"	642.145423	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+NH4"	18.033823
"1696508"	226.071023	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+NH4"	18.033823
"344541"	217.5577495	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+H+NH4"	19.041099
"736964"	321.5763495	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+H+NH4"	19.041099
"1489686"	113.5391495	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H+NH4"	19.041099
"404725"	439.063618	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+Na"	22.989218
"767539"	647.100818	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+Na"	22.989218
"1611265"	231.026418	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Na"	22.989218
"320210"	220.035447	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+H+Na"	23.996494
"719192"	324.054047	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+H+Na"	23.996494
"1473745"	116.016847	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H+Na"	23.996494
"1064802"	77.6803233333333	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2H+Na"	25.00377
"1269761"	241.070686	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+CH3OH+H"	33.033486
"387607"	455.037558	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+K"	38.963158
"749696"	663.074758	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+K"	38.963158
"1550657"	247.000358	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+K"	38.963158
"304555"	228.022417	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+H+K"	39.970434
"696975"	332.041017	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+H+K"	39.970434
"1454076"	124.003817	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H+K"	39.970434
"240491"	458.108226	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+ACN+H"	42.033826
"1219759"	250.071026	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+ACN+H"	42.033826
"1205832"	125.539151	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+ACN+2H"	43.041102
"198703"	461.04556	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+2Na-H"	44.97116
"638262"	669.08276	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+2Na-H"	44.97116
"1137396"	253.00836	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2Na-H"	44.97116
"183601"	231.026418	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+2Na"	45.978436
"618784"	335.045018	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+2Na"	45.978436
"1119382"	127.007818	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2Na"	45.978436
"1398723"	85.0076373333333	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H+2Na"	46.985712
"1432466"	255.049946	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H+HCOOH"	47.012746
"222889"	236.05944	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+3H2O+2H"	56.04448
"1509980"	269.10199	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+IsoProp+H"	61.06479
"409906"	239.013388	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+Na+K"	61.952376
"776750"	343.031988	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+Na+K"	61.952376
"1673081"	134.994788	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Na+K"	61.952376
"257413"	480.090168	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+ACN+Na"	64.015768
"1233401"	272.052968	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+ACN+Na"	64.015768
"1719007"	272.076493	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+NH4+HCOOH"	64.039293
"1182539"	92.3349513333333	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+3Na"	68.967654
"1653158"	277.031888	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Na+HCOOH"	68.994688
"159291"	492.99344	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+2K-H"	76.91904
"599579"	701.03064	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+2K-H"	76.91904
"1086643"	284.95624	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2K-H"	76.91904
"145283"	247.000358	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"2M+2K"	77.926316
"583748"	351.018958	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"3M+2K"	77.926316
"1071541"	142.981758	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2K"	77.926316
"1103657"	286.970792	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2K+H"	78.933592
"1337857"	287.058407	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+DMSO+H"	79.021207
"1012949"	291.097576	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2ACN+H"	83.060376
"1524510"	292.091208	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+IsoProp+Na+H"	84.054008
"990001"	146.052426	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+2ACN+2H"	84.067652
"1587657"	293.005828	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+K+HCOOH"	84.968628
"1415752"	323.037338	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+H+CF3COOH"	115.000138
"1158925"	166.565701	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+3ACN+2H"	125.094202
"1705194"	340.063885	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+NH4+CF3COOH"	132.026685
"1635378"	345.01928	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+Na+CF3COOH"	136.98208
"1574311"	360.99322	"C09265"	"Fraxetin"	"C10H8O5"	"208.0372"	"M+K+CF3COOH"	152.95602
"813425"	370.09	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M"	0
"980398"	351.07161	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-H2O-H"	-19.01839
"73016"	245.719390666667	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M-3H"	-3.021828
"503831"	369.082724	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M-3H"	-3.021828
"880174"	122.356057333333	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-3H"	-3.021828
"365"	369.082724	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M-2H"	-2.014552
"441222"	554.127724	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M-2H"	-2.014552
"818657"	184.037724	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-2H"	-2.014552
"81930"	739.172724	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M-H"	-1.007276
"525864"	1109.262724	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M-H"	-1.007276
"902572"	369.082724	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-H"	-1.007276
"54761"	756.199271	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M-2H+NH4"	16.019271
"495416"	1126.289271	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M-2H+NH4"	16.019271
"874310"	386.109271	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-2H+NH4"	16.019271
"32856"	761.154666	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M-2H+Na"	20.974666
"483957"	1131.244666	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M-2H+Na"	20.974666
"854105"	391.064666	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-2H+Na"	20.974666
"1620724"	391.064666	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Na-2H"	20.974666
"99443"	387.071063	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M-H+Cl"	33.962126
"543012"	572.116063	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M-H+Cl"	33.962126
"938713"	202.026063	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-H+Cl"	33.962126
"271806"	775.149402	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+Cl"	34.969402
"666416"	1145.239402	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+Cl"	34.969402
"1275903"	405.059402	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Cl"	34.969402
"17002"	777.128606	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M-2H+K"	36.948606
"459843"	1147.218606	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M-2H+K"	36.948606
"835458"	407.038606	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-2H+K"	36.948606
"1557125"	407.038606	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+K-2H"	36.948606
"949017"	415.088194	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-H+HCOOH"	44.998194
"366139"	785.178201	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+HCOOH-H"	44.998201
"348930"	799.193851	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+Hac-H"	59.013851
"1495575"	429.103851	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Hac-H"	59.013851
"962025"	437.070151	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-H+NaCOOH"	66.980151
"115305"	405.059402	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+2Cl"	69.938804
"555960"	590.104402	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+2Cl"	69.938804
"1030224"	220.014402	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2Cl"	69.938804
"1245429"	449.008885	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Br"	78.918885
"1304592"	451.064872	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Cl+HCOOH"	80.974872
"1320184"	473.046829	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Cl+NaCOOH"	102.956829
"911809"	483.075586	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M-H+CF3COOH"	112.985586
"1290957"	519.052264	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Cl+CF3COOH"	148.962264
"1371307"	335.077324	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H-2H2O"	-35.012676
"1392084"	353.0873	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H-H2O"	-17.0027
"284118"	741.187276	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+H"	1.007276
"678727"	1111.277276	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+H"	1.007276
"1351546"	371.097276	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H"	1.007276
"130518"	371.097276	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+2H"	2.014552
"569711"	556.142276	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+2H"	2.014552
"1040699"	186.052276	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2H"	2.014552
"210058"	247.733942666667	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+3H"	3.021828
"657648"	371.097276	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+3H"	3.021828
"1177477"	124.370609333333	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+3H"	3.021828
"439294"	758.213823	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+NH4"	18.033823
"799680"	1128.303823	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+NH4"	18.033823
"1694181"	388.123823	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+NH4"	18.033823
"344651"	379.6105495	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+H+NH4"	19.041099
"737313"	564.6555495	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+H+NH4"	19.041099
"1490160"	194.5655495	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H+NH4"	19.041099
"403375"	763.169218	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+Na"	22.989218
"764370"	1133.259218	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+Na"	22.989218
"1610280"	393.079218	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Na"	22.989218
"327972"	382.088247	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+H+Na"	23.996494
"716024"	567.133247	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+H+Na"	23.996494
"1469844"	197.043247	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H+Na"	23.996494
"1061995"	131.697923333333	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2H+Na"	25.00377
"1266954"	403.123486	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+CH3OH+H"	33.033486
"386623"	779.143158	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+K"	38.963158
"748710"	1149.233158	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+K"	38.963158
"1552589"	409.053158	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+K"	38.963158
"306850"	390.075217	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+H+K"	39.970434
"699272"	575.120217	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+H+K"	39.970434
"1454186"	205.030217	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H+K"	39.970434
"244977"	782.213826	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+ACN+H"	42.033826
"1217687"	412.123826	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+ACN+H"	42.033826
"1203756"	206.565551	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+ACN+2H"	43.041102
"197720"	785.15116	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+2Na-H"	44.97116
"637279"	1155.24116	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+2Na-H"	44.97116
"1135318"	415.06116	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2Na-H"	44.97116
"181888"	393.079218	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+2Na"	45.978436
"614883"	578.124218	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+2Na"	45.978436
"1120941"	208.034218	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2Na"	45.978436
"1400819"	139.025237333333	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H+2Na"	46.985712
"1434757"	417.102746	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H+HCOOH"	47.012746
"225181"	398.11224	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+3H2O+2H"	56.04448
"1508530"	431.15479	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+IsoProp+H"	61.06479
"408959"	401.066188	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+Na+K"	61.952376
"771381"	586.111188	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+Na+K"	61.952376
"1672822"	216.021188	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Na+K"	61.952376
"251844"	804.195768	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+ACN+Na"	64.015768
"1225885"	434.105768	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+ACN+Na"	64.015768
"1713068"	434.129293	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+NH4+HCOOH"	64.039293
"1178666"	146.352551333333	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+3Na"	68.967654
"1649973"	439.084688	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Na+HCOOH"	68.994688
"157941"	817.09904	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+2K-H"	76.91904
"597576"	1187.18904	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+2K-H"	76.91904
"1086376"	447.00904	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2K-H"	76.91904
"141900"	409.053158	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"2M+2K"	77.926316
"582034"	594.098158	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"3M+2K"	77.926316
"1069462"	224.008158	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2K"	77.926316
"1100158"	449.023592	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2K+H"	78.933592
"1335653"	449.111207	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+DMSO+H"	79.021207
"1005999"	453.150376	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2ACN+H"	83.060376
"1525712"	454.144008	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+IsoProp+Na+H"	84.054008
"990013"	227.078826	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+2ACN+2H"	84.067652
"1587765"	455.058628	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+K+HCOOH"	84.968628
"1415620"	485.090138	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+H+CF3COOH"	115.000138
"1159035"	247.592101	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+3ACN+2H"	125.094202
"1708584"	502.116685	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+NH4+CF3COOH"	132.026685
"1635488"	507.07208	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+Na+CF3COOH"	136.98208
"1575514"	523.04602	"C09266"	"Fraxin"	"C16H18O10"	"370.09"	"M+K+CF3COOH"	152.95602
"811350"	314.1518	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M"	0
"984887"	295.13341	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-H2O-H"	-19.01839
"72034"	208.427257333333	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M-3H"	-3.021828
"507221"	313.144524	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M-3H"	-3.021828
"886118"	103.709990666667	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-3H"	-3.021828
"2869"	313.144524	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M-2H"	-2.014552
"444250"	470.220424	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M-2H"	-2.014552
"819866"	156.068624	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-2H"	-2.014552
"84231"	627.296324	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M-H"	-1.007276
"524884"	941.448124	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M-H"	-1.007276
"904872"	313.144524	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-H"	-1.007276
"54873"	644.322871	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M-2H+NH4"	16.019271
"493705"	958.474671	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M-2H+NH4"	16.019271
"871508"	330.171071	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-2H+NH4"	16.019271
"40139"	649.278266	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M-2H+Na"	20.974666
"477875"	963.430066	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M-2H+Na"	20.974666
"860781"	335.126466	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-2H+Na"	20.974666
"1624846"	335.126466	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Na-2H"	20.974666
"103562"	331.132863	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M-H+Cl"	33.962126
"544217"	488.208763	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M-H+Cl"	33.962126
"938827"	174.056963	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-H+Cl"	33.962126
"275196"	663.273002	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+Cl"	34.969402
"671993"	977.424802	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+Cl"	34.969402
"1282209"	349.121202	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Cl"	34.969402
"22579"	665.252206	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M-2H+K"	36.948606
"466512"	979.404006	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M-2H+K"	36.948606
"841034"	351.100406	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-2H+K"	36.948606
"1561243"	351.100406	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+K-2H"	36.948606
"950223"	359.149994	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-H+HCOOH"	44.998194
"370626"	673.301801	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+HCOOH-H"	44.998201
"350136"	687.317451	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+Hac-H"	59.013851
"1497872"	373.165651	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Hac-H"	59.013851
"965415"	381.131951	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-H+NaCOOH"	66.980151
"111042"	349.121202	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+2Cl"	69.938804
"553883"	506.197102	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+2Cl"	69.938804
"1022682"	192.045302	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2Cl"	69.938804
"1242625"	393.070685	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Br"	78.918885
"1305435"	395.126672	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Cl+HCOOH"	80.974872
"1321476"	417.108629	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Cl+NaCOOH"	102.956829
"912533"	427.137386	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M-H+CF3COOH"	112.985586
"1296535"	463.114064	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Cl+CF3COOH"	148.962264
"1372511"	279.139124	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H-2H2O"	-35.012676
"1384542"	297.1491	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H-H2O"	-17.0027
"284229"	629.310876	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+H"	1.007276
"678838"	943.462676	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+H"	1.007276
"1357373"	315.159076	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H"	1.007276
"136826"	315.159076	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+2H"	2.014552
"572009"	472.234976	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+2H"	2.014552
"1046278"	158.083176	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2H"	2.014552
"215274"	210.441809333333	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+3H"	3.021828
"659584"	315.159076	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+3H"	3.021828
"1176372"	105.724542666667	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+3H"	3.021828
"437332"	646.337423	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+NH4"	18.033823
"800030"	960.489223	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+NH4"	18.033823
"1689193"	332.185623	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+NH4"	18.033823
"344397"	323.6723495	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+H+NH4"	19.041099
"736452"	480.7482495	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+H+NH4"	19.041099
"1484805"	166.5964495	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H+NH4"	19.041099
"402391"	651.292818	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+Na"	22.989218
"762292"	965.444618	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+Na"	22.989218
"1607111"	337.141018	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Na"	22.989218
"324802"	326.150047	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+H+Na"	23.996494
"717225"	483.225947	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+H+Na"	23.996494
"1473230"	169.074147	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H+Na"	23.996494
"1062102"	113.051856666667	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2H+Na"	25.00377
"1269251"	347.185286	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+CH3OH+H"	33.033486
"384543"	667.266758	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+K"	38.963158
"745544"	981.418558	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+K"	38.963158
"1545408"	353.114958	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+K"	38.963158
"305866"	334.137017	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+H+K"	39.970434
"699382"	491.212917	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+H+K"	39.970434
"1451015"	177.061117	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H+K"	39.970434
"243993"	670.337426	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+ACN+H"	42.033826
"1222171"	356.185626	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+ACN+H"	42.033826
"1204958"	178.596451	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+ACN+2H"	43.041102
"197829"	673.27476	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+2Na-H"	44.97116
"637389"	987.42656	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+2Na-H"	44.97116
"1132020"	359.12296	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2Na-H"	44.97116
"173366"	337.141018	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+2Na"	45.978436
"613898"	494.216918	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+2Na"	45.978436
"1116064"	180.065118	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2Na"	45.978436
"1398984"	120.379170666667	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H+2Na"	46.985712
"1429954"	361.164546	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H+HCOOH"	47.012746
"220000"	342.17404	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+3H2O+2H"	56.04448
"1509226"	375.21659	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+IsoProp+H"	61.06479
"408570"	345.127988	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+Na+K"	61.952376
"783528"	502.203888	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+Na+K"	61.952376
"1670746"	188.052088	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Na+K"	61.952376
"260911"	692.319368	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+ACN+Na"	64.015768
"1231432"	378.167568	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+ACN+Na"	64.015768
"1718496"	378.191093	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+NH4+HCOOH"	64.039293
"1179839"	127.706484666667	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+3Na"	68.967654
"1650216"	383.146488	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Na+HCOOH"	68.994688
"158780"	705.22264	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+2K-H"	76.91904
"597116"	1019.37444	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+2K-H"	76.91904
"1084795"	391.07084	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2K-H"	76.91904
"141433"	353.114958	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"2M+2K"	77.926316
"581383"	510.190858	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"3M+2K"	77.926316
"1068565"	196.039058	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2K"	77.926316
"1100019"	393.085392	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2K+H"	78.933592
"1335677"	393.173007	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+DMSO+H"	79.021207
"1005912"	397.212176	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2ACN+H"	83.060376
"1526192"	398.205808	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+IsoProp+Na+H"	84.054008
"990044"	199.109726	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+2ACN+2H"	84.067652
"1588241"	399.120428	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+K+HCOOH"	84.968628
"1417916"	429.151938	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+H+CF3COOH"	115.000138
"1158049"	219.623001	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+3ACN+2H"	125.094202
"1702132"	446.178485	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+NH4+CF3COOH"	132.026685
"1634585"	451.13388	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+Na+CF3COOH"	136.98208
"1575624"	467.10782	"C09267"	"Heliettin"	"C19H22O4"	"314.1518"	"M+K+CF3COOH"	152.95602
"813645"	176.0473	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M"	0
"983903"	157.02891	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-H2O-H"	-19.01839
"73237"	116.357590666667	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M-3H"	-3.021828
"509518"	175.040024	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M-3H"	-3.021828
"882946"	57.6751573333333	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-3H"	-3.021828
"6989"	175.040024	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M-2H"	-2.014552
"444360"	263.063674	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M-2H"	-2.014552
"826536"	87.016374	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-2H"	-2.014552
"84342"	351.087324	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M-H"	-1.007276
"528273"	527.134624	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M-H"	-1.007276
"904981"	175.040024	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-H"	-1.007276
"54618"	368.113871	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M-2H+NH4"	16.019271
"494179"	544.161171	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M-2H+NH4"	16.019271
"874534"	192.066571	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-2H+NH4"	16.019271
"42435"	373.069266	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M-2H+Na"	20.974666
"477985"	549.116566	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M-2H+Na"	20.974666
"859798"	197.021966	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-2H+Na"	20.974666
"1624592"	197.021966	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Na-2H"	20.974666
"106953"	193.028363	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M-H+Cl"	33.962126
"546514"	281.052013	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M-H+Cl"	33.962126
"938938"	105.004713	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-H+Cl"	33.962126
"275306"	387.064002	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+Cl"	34.969402
"671010"	563.111302	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+Cl"	34.969402
"1276122"	211.016702	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Cl"	34.969402
"21596"	389.043206	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M-2H+K"	36.948606
"460062"	565.090506	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M-2H+K"	36.948606
"835311"	212.995906	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-2H+K"	36.948606
"1559166"	212.995906	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+K-2H"	36.948606
"953613"	221.045494	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-H+HCOOH"	44.998194
"370736"	397.092801	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+HCOOH-H"	44.998201
"353526"	411.108451	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+Hac-H"	59.013851
"1500169"	235.061151	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Hac-H"	59.013851
"965524"	243.027451	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-H+NaCOOH"	66.980151
"117712"	211.016702	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+2Cl"	69.938804
"550955"	299.040352	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+2Cl"	69.938804
"1027166"	122.993052	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2Cl"	69.938804
"1242371"	254.966185	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Br"	78.918885
"1309191"	257.022172	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Cl+HCOOH"	80.974872
"1323409"	279.004129	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Cl+NaCOOH"	102.956829
"913373"	289.032886	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M-H+CF3COOH"	112.985586
"1296645"	325.009564	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Cl+CF3COOH"	148.962264
"1372621"	141.034624	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H-2H2O"	-35.012676
"1384044"	159.0446	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H-H2O"	-17.0027
"284460"	353.101876	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+H"	1.007276
"680041"	529.149176	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+H"	1.007276
"1355297"	177.054576	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H"	1.007276
"134749"	177.054576	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+2H"	2.014552
"569931"	265.078226	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+2H"	2.014552
"1045295"	89.030926	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2H"	2.014552
"212103"	118.372142666667	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+3H"	3.021828
"659857"	177.054576	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+3H"	3.021828
"1178064"	59.6897093333333	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+3H"	3.021828
"439145"	370.128423	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+NH4"	18.033823
"800260"	546.175723	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+NH4"	18.033823
"1694406"	194.081123	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+NH4"	18.033823
"344140"	185.5678495	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+H+NH4"	19.041099
"736562"	273.5914995	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+H+NH4"	19.041099
"1486009"	97.5441995	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H+NH4"	19.041099
"404688"	375.083818	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+Na"	22.989218
"760216"	551.131118	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+Na"	22.989218
"1613782"	199.036518	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Na"	22.989218
"324912"	188.045547	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+H+Na"	23.996494
"719522"	276.069197	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+H+Na"	23.996494
"1468969"	100.021897	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H+Na"	23.996494
"1061120"	67.0170233333333	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2H+Na"	25.00377
"1270454"	209.080786	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+CH3OH+H"	33.033486
"384656"	391.057758	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+K"	38.963158
"748932"	567.105058	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+K"	38.963158
"1542602"	215.010458	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+K"	38.963158
"305976"	196.032517	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+H+K"	39.970434
"694752"	284.056167	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+H+K"	39.970434
"1451125"	108.008867	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H+K"	39.970434
"245194"	394.128426	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+ACN+H"	42.033826
"1217906"	218.081126	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+ACN+H"	42.033826
"1206163"	109.544201	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+ACN+2H"	43.041102
"199034"	397.06576	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+2Na-H"	44.97116
"635313"	573.11306	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+2Na-H"	44.97116
"1132007"	221.01846	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2Na-H"	44.97116
"175181"	199.036518	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+2Na"	45.978436
"614128"	287.060168	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+2Na"	45.978436
"1118974"	111.012868	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2Na"	45.978436
"1401039"	74.3443373333333	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H+2Na"	46.985712
"1431082"	223.060046	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H+HCOOH"	47.012746
"220695"	204.06954	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+3H2O+2H"	56.04448
"1510187"	237.11209	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+IsoProp+H"	61.06479
"409136"	207.023488	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+Na+K"	61.952376
"777077"	295.047138	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+Na+K"	61.952376
"1670492"	118.999838	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Na+K"	61.952376
"258835"	416.110368	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+ACN+Na"	64.015768
"1229719"	240.063068	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+ACN+Na"	64.015768
"1717514"	240.086593	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+NH4+HCOOH"	64.039293
"1179220"	81.6716513333333	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+3Na"	68.967654
"1649876"	245.041988	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Na+HCOOH"	68.994688
"158526"	429.01364	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+2K-H"	76.91904
"597313"	605.06094	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+2K-H"	76.91904
"1084378"	252.96634	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2K-H"	76.91904
"141510"	215.010458	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"2M+2K"	77.926316
"584079"	303.034108	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"3M+2K"	77.926316
"1068625"	126.986808	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2K"	77.926316
"1100133"	254.980892	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2K+H"	78.933592
"1335750"	255.068507	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+DMSO+H"	79.021207
"1005860"	259.107676	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2ACN+H"	83.060376
"1524593"	260.101308	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+IsoProp+Na+H"	84.054008
"990186"	130.057476	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+2ACN+2H"	84.067652
"1587987"	261.015928	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+K+HCOOH"	84.968628
"1415107"	291.047438	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+H+CF3COOH"	115.000138
"1160346"	150.570751	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+3ACN+2H"	125.094202
"1698962"	308.073985	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+NH4+CF3COOH"	132.026685
"1640082"	313.02938	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+Na+CF3COOH"	136.98208
"1571439"	329.00332	"C09268"	"Herniarin;7-Methoxycoumarin"	"C10H8O3"	"176.0473"	"M+K+CF3COOH"	152.95602
"814849"	270.0892	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M"	0
"981828"	251.07081	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"73350"	179.052190666667	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"510723"	269.081924	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"890711"	89.0224573333333	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"12566"	269.081924	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"452126"	404.126524	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"824458"	134.037324	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"87731"	539.171124	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"528385"	809.260324	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"901811"	269.081924	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"55095"	556.197671	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"494655"	826.286871	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"874645"	286.108471	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"37078"	561.153066	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"485387"	831.242266	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"858815"	291.063866	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1626160"	291.063866	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"105968"	287.070263	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"547718"	422.114863	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"935764"	152.025663	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"273229"	575.147802	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"662373"	845.237002	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1278056"	305.058602	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"19518"	577.127006	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"457986"	847.216206	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"836882"	307.037806	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1564746"	307.037806	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"954453"	315.087394	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"371939"	585.176601	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"352540"	599.192251	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1499186"	329.103051	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"965633"	337.069351	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"117822"	305.058602	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"556289"	440.103202	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1025090"	170.014002	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1246854"	349.008085	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1306022"	351.064072	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1323521"	373.046029	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"918954"	383.074786	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1300038"	419.051464	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1376012"	235.076524	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1390231"	253.0865	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"293199"	541.185676	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"684526"	811.274876	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1357594"	271.096476	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"138139"	271.096476	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"570406"	406.141076	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1043218"	136.051876	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"213305"	181.066742666667	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"658954"	271.096476	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1177565"	91.0370093333333	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"437188"	558.212223	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"799277"	828.301423	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1690502"	288.123023	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"339878"	279.6097495	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"731206"	414.6543495	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1482837"	144.5651495	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"396048"	563.167618	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"757045"	833.256818	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1610612"	293.078418	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"326850"	282.087447	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"719633"	417.132047	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1469077"	147.042847	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1057950"	98.3643233333333	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1266191"	303.122686	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"386953"	579.141558	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"749042"	849.230758	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1545629"	309.052358	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"306087"	290.074417	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"698509"	425.119017	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1453422"	155.029817	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"240931"	582.212226	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1214736"	312.123026	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1199712"	156.565151	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"198050"	585.14956	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"631049"	855.23876	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1135647"	315.06036	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"173829"	293.078418	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"615575"	428.123018	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1117623"	158.033818	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1400663"	105.691637333333	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1431560"	317.101946	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"220644"	298.11144	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1508954"	331.15399	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"409366"	301.065388	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"774274"	436.109988	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1671334"	166.020788	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"263320"	604.194168	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1234935"	334.104968	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1717260"	334.128493	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1181154"	113.018951333333	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1650675"	339.083888	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"157774"	617.09744	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"598066"	887.18664	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1084359"	347.00824	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"143039"	309.052358	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"583570"	444.096958	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1069299"	174.007758	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1100686"	349.022792	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1336097"	349.110407	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1006009"	353.149576	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1524946"	354.143208	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"990668"	177.078426	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1588461"	355.057828	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1415583"	385.089338	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1161067"	197.591701	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1708914"	402.115885	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1643472"	407.07128	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1572564"	423.04522	"C09269"	"Imperatorin"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"811678"	386.1366	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M"	0
"981931"	367.11821	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-H2O-H"	-19.01839
"67987"	256.417124	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M-3H"	-3.021828
"509739"	385.129324	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M-3H"	-3.021828
"884260"	127.704924	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-3H"	-3.021828
"8301"	385.129324	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M-2H"	-2.014552
"448954"	578.197624	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M-2H"	-2.014552
"820194"	192.061024	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-2H"	-2.014552
"85653"	771.265924	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M-H"	-1.007276
"521569"	1157.402524	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M-H"	-1.007276
"900462"	385.129324	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-H"	-1.007276
"53379"	788.292471	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M-2H+NH4"	16.019271
"492941"	1174.429071	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M-2H+NH4"	16.019271
"868556"	402.155871	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-2H+NH4"	16.019271
"43746"	793.247866	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M-2H+Na"	20.974666
"478933"	1179.384466	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M-2H+Na"	20.974666
"851267"	407.111266	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-2H+Na"	20.974666
"1621532"	407.111266	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Na-2H"	20.974666
"100612"	403.117663	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M-H+Cl"	33.962126
"544548"	596.185963	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M-H+Cl"	33.962126
"932230"	210.049363	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-H+Cl"	33.962126
"272610"	807.242602	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+Cl"	34.969402
"666856"	1193.379202	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+Cl"	34.969402
"1280353"	421.106002	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Cl"	34.969402
"18170"	809.221806	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M-2H+K"	36.948606
"461376"	1195.358406	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M-2H+K"	36.948606
"838085"	423.085206	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-2H+K"	36.948606
"1565949"	423.085206	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+K-2H"	36.948606
"953834"	431.134794	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-H+HCOOH"	44.998194
"372049"	817.271401	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+HCOOH-H"	44.998201
"354837"	831.287051	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+Hac-H"	59.013851
"1501483"	445.150451	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Hac-H"	59.013851
"966837"	453.116751	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-H+NaCOOH"	66.980151
"119025"	421.106002	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+2Cl"	69.938804
"556399"	614.174302	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+2Cl"	69.938804
"1031760"	228.037702	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2Cl"	69.938804
"1248058"	465.055485	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Br"	78.918885
"1308318"	467.111472	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Cl+HCOOH"	80.974872
"1324724"	489.093429	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Cl+NaCOOH"	102.956829
"919064"	499.122186	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M-H+CF3COOH"	112.985586
"1299055"	535.098864	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Cl+CF3COOH"	148.962264
"1375029"	351.123924	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H-2H2O"	-35.012676
"1386696"	369.1339	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H-H2O"	-17.0027
"287842"	773.280476	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+H"	1.007276
"682449"	1159.417076	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+H"	1.007276
"1359890"	387.143876	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H"	1.007276
"131687"	387.143876	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+2H"	2.014552
"575621"	580.212176	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+2H"	2.014552
"1044419"	194.075576	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2H"	2.014552
"210135"	258.431676	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+3H"	3.021828
"654073"	387.143876	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+3H"	3.021828
"1177998"	129.719476	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+3H"	3.021828
"438756"	790.307023	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+NH4"	18.033823
"797563"	1176.443623	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+NH4"	18.033823
"1694986"	404.170423	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+NH4"	18.033823
"338896"	395.6571495	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+H+NH4"	19.041099
"732409"	588.7254495	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+H+NH4"	19.041099
"1487322"	202.5888495	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H+NH4"	19.041099
"394336"	795.262418	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+Na"	22.989218
"757155"	1181.399018	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+Na"	22.989218
"1612909"	409.125818	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Na"	22.989218
"326959"	398.134847	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+H+Na"	23.996494
"717555"	591.203147	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+H+Na"	23.996494
"1471374"	205.066547	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H+Na"	23.996494
"1061340"	137.04679	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2H+Na"	25.00377
"1267392"	419.170086	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+CH3OH+H"	33.033486
"380503"	811.236358	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+K"	38.963158
"745872"	1197.372958	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+K"	38.963158
"1544645"	425.099758	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+K"	38.963158
"299269"	406.121817	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+H+K"	39.970434
"696431"	599.190117	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+H+K"	39.970434
"1451344"	213.053517	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H+K"	39.970434
"242136"	814.307026	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+ACN+H"	42.033826
"1213022"	428.170426	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+ACN+H"	42.033826
"1199822"	214.588851	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+ACN+2H"	43.041102
"198160"	817.24436	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+2Na-H"	44.97116
"631522"	1203.38096	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+2Na-H"	44.97116
"1134663"	431.10776	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2Na-H"	44.97116
"175401"	409.125818	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+2Na"	45.978436
"615321"	602.194118	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+2Na"	45.978436
"1119921"	216.057518	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2Na"	45.978436
"1401987"	144.374104	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H+2Na"	46.985712
"1431913"	433.149346	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H+HCOOH"	47.012746
"221248"	414.15884	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+3H2O+2H"	56.04448
"1509306"	447.20139	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+IsoProp+H"	61.06479
"408909"	417.112788	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+Na+K"	61.952376
"774020"	610.181088	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+Na+K"	61.952376
"1671444"	224.044488	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Na+K"	61.952376
"263430"	836.288968	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+ACN+Na"	64.015768
"1232858"	450.152368	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+ACN+Na"	64.015768
"1717370"	450.175893	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+NH4+HCOOH"	64.039293
"1179554"	151.701418	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+3Na"	68.967654
"1650301"	455.131288	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Na+HCOOH"	68.994688
"157891"	849.19224	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+2K-H"	76.91904
"599390"	1235.32884	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+2K-H"	76.91904
"1085970"	463.05564	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2K-H"	76.91904
"142672"	425.099758	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"2M+2K"	77.926316
"582592"	618.168058	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"3M+2K"	77.926316
"1069531"	232.031458	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2K"	77.926316
"1100433"	465.070192	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2K+H"	78.933592
"1336090"	465.157807	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+DMSO+H"	79.021207
"1006082"	469.196976	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2ACN+H"	83.060376
"1526154"	470.190608	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+IsoProp+Na+H"	84.054008
"990168"	235.102126	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+2ACN+2H"	84.067652
"1588935"	471.105228	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+K+HCOOH"	84.968628
"1416057"	501.136738	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+H+CF3COOH"	115.000138
"1161542"	255.615401	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+3ACN+2H"	125.094202
"1705744"	518.163285	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+NH4+CF3COOH"	132.026685
"1638115"	523.11868	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+Na+CF3COOH"	136.98208
"1572674"	539.09262	"C09270"	"Isosamidin"	"C21H22O7"	"386.1366"	"M+K+CF3COOH"	152.95602
"810695"	222.0528	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M"	0
"977668"	203.03441	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"68097"	147.027924	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"512035"	221.045524	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"884370"	73.010324	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"7318"	221.045524	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"447971"	332.071924	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"821763"	110.019124	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"82482"	443.098324	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"520586"	665.151124	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"899479"	221.045524	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"53490"	460.124871	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"491958"	682.177671	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"871582"	238.072071	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"37297"	465.080266	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"476128"	687.133066	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"855754"	243.027466	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1624922"	243.027466	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"100722"	239.033863	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"541378"	350.060263	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"938172"	128.007463	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"275636"	479.075002	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"661862"	701.127802	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1274265"	257.022202	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"19740"	481.054206	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"462581"	703.107006	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"834915"	259.001406	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1562779"	259.001406	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"953944"	267.050994	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"371065"	489.103801	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"351667"	503.119451	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1503416"	281.066651	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"969134"	289.032951	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"115855"	257.022202	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"556509"	368.048602	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1035150"	145.995802	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1252541"	300.971685	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1308429"	303.027672	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1321555"	325.009629	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"913342"	335.038386	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1296978"	371.015064	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1376233"	187.040124	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1394826"	205.0501	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"290139"	445.112876	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"683654"	667.165676	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1365833"	223.060076	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"133984"	223.060076	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"575731"	334.086476	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1044529"	112.033676	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"206965"	149.042476	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"654183"	223.060076	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1177542"	75.024876	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"438138"	462.139423	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"799739"	684.192223	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1692909"	240.086623	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"333539"	231.5733495	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"729239"	342.5997495	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1480872"	120.5469495	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"400645"	467.094818	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"763827"	689.147618	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1613019"	245.042018	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"323058"	234.051047	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"718034"	345.077447	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1472578"	123.024647	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1060357"	82.35219	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1263129"	255.086286	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"378061"	483.068758	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"745982"	705.121558	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1548035"	261.015958	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"300838"	242.038017	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"698729"	353.064417	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1452548"	131.011617	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"242246"	486.139426	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1210211"	264.086626	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1199204"	132.546951	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"196083"	489.07676	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"631634"	711.12956	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1132953"	267.02396	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"174053"	245.042018	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"614339"	356.068418	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1120034"	134.015618	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1401371"	89.679504	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1430931"	269.065546	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"220266"	250.07504	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1509054"	283.11759	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"409833"	253.028988	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"774129"	364.055388	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1671554"	142.002588	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"263540"	508.121368	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1234061"	286.068568	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1715657"	286.092093	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1179178"	97.006818	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1650650"	291.047488	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"157269"	521.02464	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"597235"	743.07744	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1084269"	298.97184	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"141803"	261.015958	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"581484"	372.042358	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1068911"	149.989558	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1100298"	300.986392	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1335950"	301.074007	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1005637"	305.113176	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1524552"	306.106808	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"989927"	153.060226	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1587082"	307.021428	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1417258"	337.052938	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1161409"	173.573501	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1705854"	354.079485	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1639318"	359.03488	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1572784"	375.00882	"C09271"	"Leptodactylone"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"811898"	328.1311	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M"	0
"983250"	309.11271	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-H2O-H"	-19.01839
"72586"	217.746790666667	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M-3H"	-3.021828
"504492"	327.123824	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M-3H"	-3.021828
"883386"	108.369757333333	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-3H"	-3.021828
"3418"	327.123824	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M-2H"	-2.014552
"442613"	491.189374	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M-2H"	-2.014552
"823695"	163.058274	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-2H"	-2.014552
"83685"	655.254924	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M-H"	-1.007276
"523248"	983.386024	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M-H"	-1.007276
"902506"	327.123824	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-H"	-1.007276
"54331"	672.281471	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M-2H+NH4"	16.019271
"493891"	1000.412571	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M-2H+NH4"	16.019271
"876065"	344.150371	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-2H+NH4"	16.019271
"40687"	677.236866	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M-2H+Na"	20.974666
"479154"	1005.367966	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M-2H+Na"	20.974666
"860967"	349.105766	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-2H+Na"	20.974666
"1627586"	349.105766	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Na-2H"	20.974666
"103023"	345.112163	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M-H+Cl"	33.962126
"543675"	509.177713	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M-H+Cl"	33.962126
"936097"	181.046613	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-H+Cl"	33.962126
"275746"	691.231602	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+Cl"	34.969402
"661608"	1019.362702	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+Cl"	34.969402
"1275106"	363.100502	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Cl"	34.969402
"26412"	693.210806	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M-2H+K"	36.948606
"463785"	1021.341906	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M-2H+K"	36.948606
"844869"	365.079706	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-2H+K"	36.948606
"1569815"	365.079706	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+K-2H"	36.948606
"952961"	373.129294	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-H+HCOOH"	44.998194
"372269"	701.260401	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+HCOOH-H"	44.998201
"352871"	715.276051	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+Hac-H"	59.013851
"1506078"	387.144951	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Hac-H"	59.013851
"972890"	395.111251	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-H+NaCOOH"	66.980151
"122162"	363.100502	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+2Cl"	69.938804
"559899"	527.166052	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+2Cl"	69.938804
"1030886"	199.034952	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2Cl"	69.938804
"1249372"	407.049985	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Br"	78.918885
"1310729"	409.105972	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Cl+HCOOH"	80.974872
"1327133"	431.087929	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Cl+NaCOOH"	102.956829
"923662"	441.116686	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M-H+CF3COOH"	112.985586
"1300372"	477.093364	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Cl+CF3COOH"	148.962264
"1376346"	293.118424	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H-2H2O"	-35.012676
"1396029"	311.1284	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H-H2O"	-17.0027
"290249"	657.269476	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+H"	1.007276
"688867"	985.400576	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+H"	1.007276
"1365214"	329.138376	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H"	1.007276
"134094"	329.138376	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+2H"	2.014552
"575842"	493.203926	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+2H"	2.014552
"1047920"	165.072826	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2H"	2.014552
"208168"	219.761342666667	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+3H"	3.021828
"656480"	329.138376	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+3H"	3.021828
"1176796"	110.384309333333	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+3H"	3.021828
"432414"	674.296023	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+NH4"	18.033823
"798877"	1002.427123	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+NH4"	18.033823
"1686459"	346.164923	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+NH4"	18.033823
"339111"	337.6516495	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+H+NH4"	19.041099
"727161"	501.7171995	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+H+NH4"	19.041099
"1480982"	173.5860995	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H+NH4"	19.041099
"396381"	679.251418	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+Na"	22.989218
"757375"	1007.382518	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+Na"	22.989218
"1609849"	351.120318	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Na"	22.989218
"323167"	340.129347	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+H+Na"	23.996494
"715589"	504.194897	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+H+Na"	23.996494
"1473782"	176.063797	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H+Na"	23.996494
"1063748"	117.711623333333	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2H+Na"	25.00377
"1267614"	361.164586	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+CH3OH+H"	33.033486
"382910"	695.225358	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+K"	38.963158
"747187"	1023.356458	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+K"	38.963158
"1550333"	367.094258	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+K"	38.963158
"302406"	348.116317	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+H+K"	39.970434
"697746"	512.181867	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+H+K"	39.970434
"1452658"	184.050767	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H+K"	39.970434
"245637"	698.296026	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+ACN+H"	42.033826
"1213608"	370.164926	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+ACN+H"	42.033826
"1200043"	185.586101	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+ACN+2H"	43.041102
"197286"	701.23336	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+2Na-H"	44.97116
"630652"	1029.36446	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+2Na-H"	44.97116
"1134158"	373.10226	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2Na-H"	44.97116
"175258"	351.120318	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+2Na"	45.978436
"614448"	515.185868	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+2Na"	45.978436
"1122331"	187.054768	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2Na"	45.978436
"1400750"	125.038937333333	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H+2Na"	46.985712
"1431526"	375.143846	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H+HCOOH"	47.012746
"225479"	356.15334	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+3H2O+2H"	56.04448
"1509893"	389.19589	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+IsoProp+H"	61.06479
"411039"	359.107288	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+Na+K"	61.952376
"770457"	523.172838	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+Na+K"	61.952376
"1666138"	195.041738	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Na+K"	61.952376
"251661"	720.277968	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+ACN+Na"	64.015768
"1225732"	392.146868	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+ACN+Na"	64.015768
"1713080"	392.170393	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+NH4+HCOOH"	64.039293
"1178920"	132.366251333333	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+3Na"	68.967654
"1649946"	397.125788	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Na+HCOOH"	68.994688
"158347"	733.18124	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+2K-H"	76.91904
"597828"	1061.31234	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+2K-H"	76.91904
"1085700"	405.05014	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2K-H"	76.91904
"142031"	367.094258	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"2M+2K"	77.926316
"583412"	531.159808	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"3M+2K"	77.926316
"1069871"	203.028708	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2K"	77.926316
"1100772"	407.064692	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2K+H"	78.933592
"1335821"	407.152307	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+DMSO+H"	79.021207
"1005697"	411.191476	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2ACN+H"	83.060376
"1524459"	412.185108	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+IsoProp+Na+H"	84.054008
"989987"	206.099376	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+2ACN+2H"	84.067652
"1587566"	413.099728	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+K+HCOOH"	84.968628
"1417005"	443.131238	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+H+CF3COOH"	115.000138
"1160788"	226.612651	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+3ACN+2H"	125.094202
"1705964"	460.157785	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+NH4+CF3COOH"	132.026685
"1637241"	465.11318	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+Na+CF3COOH"	136.98208
"1571801"	481.08712	"C09272"	"Libanorin"	"C19H20O5"	"328.1311"	"M+K+CF3COOH"	152.95602
"812008"	258.0892	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M"	0
"982261"	239.07081	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"72695"	171.052190666667	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"503627"	257.081924	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"882038"	85.0224573333333	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"158"	257.081924	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"444909"	386.126524	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"819430"	128.037324	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"80879"	515.171124	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"522993"	773.260324	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"898970"	257.081924	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"52254"	532.197671	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"490356"	790.286871	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"869615"	274.108471	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"40797"	537.153066	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"482544"	795.242266	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"858161"	279.063866	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1621500"	279.063866	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"103133"	275.070263	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"542692"	404.114863	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"931833"	146.025663	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"271482"	551.147802	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"660988"	809.237002	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1277403"	293.058602	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"25429"	553.127006	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"462802"	811.216206	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"841699"	295.037806	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1565186"	295.037806	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"954529"	303.087394	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"373838"	561.176601	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"359543"	575.192251	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1505095"	317.103051	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"971907"	325.069351	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"123731"	293.058602	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"561832"	422.103202	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1034276"	164.014002	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1249482"	337.008085	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1310839"	339.064072	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1323963"	361.046029	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"922679"	371.074786	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1301580"	407.051464	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1378643"	223.076524	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1389579"	241.0865	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"293639"	517.185676	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"690073"	775.274876	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1363502"	259.096476	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"138576"	259.096476	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"571575"	388.141076	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1045843"	130.051876	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"213743"	173.066742666667	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"654396"	259.096476	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1176178"	87.0370093333333	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"434712"	534.212223	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"791333"	792.301423	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1684383"	276.123023	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"340315"	267.6097495	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"724717"	396.6543495	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1478419"	138.5651495	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"394059"	539.167618	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"761862"	797.256818	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1607773"	281.078418	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"323279"	270.087447	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"715700"	399.132047	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1473164"	141.042847	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1059483"	94.3643233333333	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1264443"	291.122686	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"380836"	555.141558	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"744381"	813.230758	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1546069"	297.052358	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"307984"	278.074417	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"698948"	407.119017	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1454954"	149.029817	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"239550"	558.212226	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1212623"	300.123026	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1200518"	150.565151	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"198491"	561.14956	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"629180"	819.23876	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1133174"	303.06036	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"175370"	281.078418	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"625497"	410.123018	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1120256"	152.033818	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1410339"	101.691637333333	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1433707"	305.101946	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"228869"	286.11144	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1509276"	319.15399	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"409812"	289.065388	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"771423"	418.109988	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1665931"	160.020788	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"252007"	580.194168	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1226128"	322.104968	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1713916"	322.128493	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1179516"	109.018951333333	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1650338"	327.083888	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"157611"	593.09744	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"598021"	851.18664	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1085687"	335.00824	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"142062"	297.052358	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"581951"	426.096958	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1068649"	168.007758	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1100639"	337.022792	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1337764"	337.110407	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1005924"	341.149576	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1525753"	342.143208	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"990126"	171.078426	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1587182"	343.057828	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1417115"	373.089338	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1162439"	191.591701	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1708261"	390.115885	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1640630"	395.07128	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1573004"	411.04522	"C09273"	"Luvangetin;10-Methoxy-88-dimethyl-2H8H-benzo12-b:54-bdipyran-2-one"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"811025"	310.2045	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M"	0
"980184"	291.18611	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-H2O-H"	-19.01839
"73898"	205.795724	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M-3H"	-3.021828
"503982"	309.197224	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M-3H"	-3.021828
"884701"	102.394224	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-3H"	-3.021828
"3273"	309.197224	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M-2H"	-2.014552
"445019"	464.299474	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M-2H"	-2.014552
"826102"	154.094974	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-2H"	-2.014552
"88281"	619.401724	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M-H"	-1.007276
"528937"	929.606224	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M-H"	-1.007276
"909655"	309.197224	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-H"	-1.007276
"49082"	636.428271	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M-2H+NH4"	16.019271
"491561"	946.632771	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M-2H+NH4"	16.019271
"870823"	326.223771	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-2H+NH4"	16.019271
"38724"	641.383666	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M-2H+Na"	20.974666
"483752"	951.588166	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M-2H+Na"	20.974666
"861553"	331.179166	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-2H+Na"	20.974666
"1629993"	331.179166	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Na-2H"	20.974666
"108345"	327.185563	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M-H+Cl"	33.962126
"547177"	482.287813	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M-H+Cl"	33.962126
"935225"	172.083313	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-H+Cl"	33.962126
"280341"	655.378402	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+Cl"	34.969402
"666202"	965.582902	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+Cl"	34.969402
"1279699"	345.173902	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Cl"	34.969402
"23352"	657.357606	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M-2H+K"	36.948606
"467285"	967.562106	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M-2H+K"	36.948606
"845821"	347.153106	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-2H+K"	36.948606
"1568578"	347.153106	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+K-2H"	36.948606
"957554"	355.202694	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-H+HCOOH"	44.998194
"375043"	665.407201	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+HCOOH-H"	44.998201
"358924"	679.422851	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+Hac-H"	59.013851
"1503018"	369.218351	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Hac-H"	59.013851
"972746"	377.184651	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-H+NaCOOH"	66.980151
"124451"	345.173902	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+2Cl"	69.938804
"563402"	500.276152	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+2Cl"	69.938804
"1032200"	190.071652	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2Cl"	69.938804
"1253967"	389.123385	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Br"	78.918885
"1312043"	391.179372	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Cl+HCOOH"	80.974872
"1334529"	413.161329	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Cl+NaCOOH"	102.956829
"924862"	423.190086	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M-H+CF3COOH"	112.985586
"1300230"	459.166764	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Cl+CF3COOH"	148.962264
"1381308"	275.191824	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H-2H2O"	-35.012676
"1396615"	293.2018	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H-H2O"	-17.0027
"298127"	621.416276	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+H"	1.007276
"690673"	931.620776	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+H"	1.007276
"1366175"	311.211776	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H"	1.007276
"140875"	311.211776	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+2H"	2.014552
"576062"	466.314026	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+2H"	2.014552
"1048507"	156.109526	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2H"	2.014552
"212763"	207.810276	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+3H"	3.021828
"653415"	311.211776	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+3H"	3.021828
"1178276"	104.408776	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+3H"	3.021828
"439940"	638.442823	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+NH4"	18.033823
"800798"	948.647323	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+NH4"	18.033823
"1695427"	328.238323	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+NH4"	18.033823
"333866"	319.7250495	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+H+NH4"	19.041099
"728475"	474.8272995	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+H+NH4"	19.041099
"1485575"	164.6227995	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H+NH4"	19.041099
"396964"	643.398218	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+Na"	22.989218
"764158"	953.602718	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+Na"	22.989218
"1613350"	333.193718	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Na"	22.989218
"321202"	322.202747	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+H+Na"	23.996494
"716906"	477.304997	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+H+Na"	23.996494
"1467445"	167.100497	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H+Na"	23.996494
"1059596"	111.73609	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2H+Na"	25.00377
"1265649"	343.237986	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+CH3OH+H"	33.033486
"386409"	659.372158	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+K"	38.963158
"747406"	969.576658	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+K"	38.963158
"1548368"	349.167658	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+K"	38.963158
"308825"	330.189717	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+H+K"	39.970434
"700152"	485.291967	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+H+K"	39.970434
"1452880"	175.087467	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H+K"	39.970434
"243670"	662.442826	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+ACN+H"	42.033826
"1218567"	352.238326	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+ACN+H"	42.033826
"1204636"	176.622801	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+ACN+2H"	43.041102
"197147"	665.38016	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+2Na-H"	44.97116
"637070"	975.58466	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+2Na-H"	44.97116
"1141669"	355.17566	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2Na-H"	44.97116
"176211"	333.193718	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+2Na"	45.978436
"618318"	488.295968	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+2Na"	45.978436
"1121459"	178.091468	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2Na"	45.978436
"1401338"	119.063404	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H+2Na"	46.985712
"1431996"	357.217246	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H+HCOOH"	47.012746
"222051"	338.22674	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+3H2O+2H"	56.04448
"1511214"	371.26929	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+IsoProp+H"	61.06479
"412724"	341.180688	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+Na+K"	61.952376
"772634"	496.282938	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+Na+K"	61.952376
"1667505"	186.078438	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Na+K"	61.952376
"257673"	684.424768	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+ACN+Na"	64.015768
"1227463"	374.220268	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+ACN+Na"	64.015768
"1713792"	374.243793	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+NH4+HCOOH"	64.039293
"1180971"	126.390718	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+3Na"	68.967654
"1651961"	379.199188	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Na+HCOOH"	68.994688
"158823"	697.32804	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+2K-H"	76.91904
"598019"	1007.53254	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+2K-H"	76.91904
"1088364"	387.12354	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2K-H"	76.91904
"142378"	349.167658	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"2M+2K"	77.926316
"588023"	504.269908	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"3M+2K"	77.926316
"1071076"	194.065408	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2K"	77.926316
"1100186"	389.138092	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2K+H"	78.933592
"1338849"	389.225707	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+DMSO+H"	79.021207
"1007378"	393.264876	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2ACN+H"	83.060376
"1527691"	394.258508	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+IsoProp+Na+H"	84.054008
"990490"	197.136076	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+2ACN+2H"	84.067652
"1587461"	395.173128	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+K+HCOOH"	84.968628
"1414537"	425.204638	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+H+CF3COOH"	115.000138
"1159915"	217.649351	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+3ACN+2H"	125.094202
"1708371"	442.231185	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+NH4+CF3COOH"	132.026685
"1640741"	447.18658	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+Na+CF3COOH"	136.98208
"1572140"	463.16052	"C09274"	"Tabernanthine"	"C20H26N2O"	"310.2045"	"M+K+CF3COOH"	152.95602
"816943"	406.178	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M"	0
"985767"	387.15961	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-H2O-H"	-19.01839
"75103"	269.778057333333	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M-3H"	-3.021828
"508101"	405.170724	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M-3H"	-3.021828
"884809"	134.385390666667	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-3H"	-3.021828
"4479"	405.170724	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M-2H"	-2.014552
"444040"	608.259724	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M-2H"	-2.014552
"827310"	202.081724	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-2H"	-2.014552
"90581"	811.348724	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M-H"	-1.007276
"529047"	1217.526724	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M-H"	-1.007276
"911104"	405.170724	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-H"	-1.007276
"55757"	828.375271	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M-2H+NH4"	16.019271
"499692"	1234.553271	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M-2H+NH4"	16.019271
"874213"	422.197271	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-2H+NH4"	16.019271
"46123"	833.330666	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M-2H+Na"	20.974666
"475843"	1239.508666	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M-2H+Na"	20.974666
"861299"	427.152666	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-2H+Na"	20.974666
"1632899"	427.152666	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Na-2H"	20.974666
"101168"	423.159063	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M-H+Cl"	33.962126
"545101"	626.248063	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M-H+Cl"	33.962126
"933150"	220.070063	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-H+Cl"	33.962126
"277174"	847.325402	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+Cl"	34.969402
"674702"	1253.503402	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+Cl"	34.969402
"1287105"	441.147402	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Cl"	34.969402
"29660"	849.304606	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M-2H+K"	36.948606
"467397"	1255.482606	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M-2H+K"	36.948606
"848119"	443.126606	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-2H+K"	36.948606
"1565407"	443.126606	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+K-2H"	36.948606
"954383"	451.176194	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-H+HCOOH"	44.998194
"377046"	857.354201	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+HCOOH-H"	44.998201
"359400"	871.369851	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+Hac-H"	59.013851
"1505681"	465.191851	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Hac-H"	59.013851
"973953"	473.158151	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-H+NaCOOH"	66.980151
"123588"	441.147402	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+2Cl"	69.938804
"564972"	644.236402	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+2Cl"	69.938804
"1033403"	238.058402	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2Cl"	69.938804
"1251891"	485.096885	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Br"	78.918885
"1312155"	487.152872	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Cl+HCOOH"	80.974872
"1334034"	509.134829	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Cl+NaCOOH"	102.956829
"925824"	519.163586	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M-H+CF3COOH"	112.985586
"1303506"	555.140264	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Cl+CF3COOH"	148.962264
"1381055"	371.165324	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H-2H2O"	-35.012676
"1396729"	389.1753	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H-H2O"	-17.0027
"296053"	813.363276	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+H"	1.007276
"689933"	1219.541276	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+H"	1.007276
"1365554"	407.185276	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H"	1.007276
"139902"	407.185276	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+2H"	2.014552
"578364"	610.274276	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+2H"	2.014552
"1047525"	204.096276	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2H"	2.014552
"215426"	271.792609333333	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+3H"	3.021828
"652432"	407.185276	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+3H"	3.021828
"1177256"	136.399942666667	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+3H"	3.021828
"439434"	830.389823	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+NH4"	18.033823
"800671"	1236.567823	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+NH4"	18.033823
"1694809"	424.211823	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+NH4"	18.033823
"339444"	415.6985495	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+H+NH4"	19.041099
"732959"	618.7875495	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+H+NH4"	19.041099
"1487872"	212.6095495	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H+NH4"	19.041099
"402179"	835.345218	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+Na"	22.989218
"766457"	1241.523218	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+Na"	22.989218
"1613462"	429.167218	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Na"	22.989218
"323501"	418.176247	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+H+Na"	23.996494
"720299"	621.265247	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+H+Na"	23.996494
"1470835"	215.087247	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H+Na"	23.996494
"1057521"	143.727256666667	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2H+Na"	25.00377
"1266853"	439.211486	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+CH3OH+H"	33.033486
"385429"	851.319158	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+K"	38.963158
"749706"	1257.497158	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+K"	38.963158
"1553946"	445.141158	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+K"	38.963158
"311121"	426.163217	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+H+K"	39.970434
"705731"	629.252217	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+H+K"	39.970434
"1456270"	223.074217	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H+K"	39.970434
"247063"	854.389826	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+ACN+H"	42.033826
"1221958"	448.211826	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+ACN+H"	42.033826
"1206934"	224.609551	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+ACN+2H"	43.041102
"197257"	857.32716	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+2Na-H"	44.97116
"639368"	1263.50516	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+2Na-H"	44.97116
"1144333"	451.14916	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2Na-H"	44.97116
"178509"	429.167218	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+2Na"	45.978436
"616972"	632.256218	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+2Na"	45.978436
"1119383"	226.078218	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2Na"	45.978436
"1404001"	151.054570666667	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H+2Na"	46.985712
"1432107"	453.190746	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H+HCOOH"	47.012746
"222525"	434.20024	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+3H2O+2H"	56.04448
"1510597"	467.24279	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+IsoProp+H"	61.06479
"411381"	437.154188	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+Na+K"	61.952376
"775662"	640.243188	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+Na+K"	61.952376
"1675276"	234.065188	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Na+K"	61.952376
"258516"	876.371768	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+ACN+Na"	64.015768
"1229764"	470.193768	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+ACN+Na"	64.015768
"1715369"	470.217293	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+NH4+HCOOH"	64.039293
"1186555"	158.381884666667	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+3Na"	68.967654
"1654260"	475.172688	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Na+HCOOH"	68.994688
"160392"	889.27504	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+2K-H"	76.91904
"607244"	1295.45304	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+2K-H"	76.91904
"1095767"	483.09704	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2K-H"	76.91904
"150761"	445.141158	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"2M+2K"	77.926316
"589227"	648.230158	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"3M+2K"	77.926316
"1072646"	242.052158	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2K"	77.926316
"1100872"	485.111592	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2K+H"	78.933592
"1342242"	485.199207	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+DMSO+H"	79.021207
"1010772"	489.238376	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2ACN+H"	83.060376
"1533270"	490.232008	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+IsoProp+Na+H"	84.054008
"990966"	245.122826	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+2ACN+2H"	84.067652
"1587173"	491.146628	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+K+HCOOH"	84.968628
"1414239"	521.178138	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+H+CF3COOH"	115.000138
"1160024"	265.636101	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+3ACN+2H"	125.094202
"1709574"	538.204685	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+NH4+CF3COOH"	132.026685
"1640851"	543.16008	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+Na+CF3COOH"	136.98208
"1573588"	559.13402	"C09275"	"Mammeisin"	"C25H26O5"	"406.178"	"M+K+CF3COOH"	152.95602
"811245"	246.0892	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M"	0
"984784"	227.07081	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-H2O-H"	-19.01839
"73026"	163.052190666667	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M-3H"	-3.021828
"503229"	245.081924	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M-3H"	-3.021828
"880785"	81.0224573333333	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-3H"	-3.021828
"2399"	245.081924	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H"	-2.014552
"446335"	368.126524	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H"	-2.014552
"819761"	122.037324	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-2H"	-2.014552
"83034"	491.171124	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M-H"	-1.007276
"528062"	737.260324	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M-H"	-1.007276
"908050"	245.081924	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-H"	-1.007276
"56958"	508.197671	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H+NH4"	16.019271
"495424"	754.286871	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H+NH4"	16.019271
"869946"	262.108471	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-2H+NH4"	16.019271
"38941"	513.153066	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H+Na"	20.974666
"478504"	759.242266	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H+Na"	20.974666
"858128"	267.063866	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-2H+Na"	20.974666
"1629122"	267.063866	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Na-2H"	20.974666
"100183"	263.070263	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M-H+Cl"	33.962126
"543024"	386.114863	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M-H+Cl"	33.962126
"929978"	140.025663	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-H+Cl"	33.962126
"272909"	527.147802	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+Cl"	34.969402
"669702"	773.237002	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+Cl"	34.969402
"1277735"	281.058602	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl"	34.969402
"23573"	529.127006	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H+K"	36.948606
"467507"	775.216206	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H+K"	36.948606
"842029"	283.037806	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-2H+K"	36.948606
"1562235"	283.037806	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+K-2H"	36.948606
"954493"	291.087394	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-H+HCOOH"	44.998194
"372345"	537.176601	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+HCOOH-H"	44.998201
"358416"	551.192251	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+Hac-H"	59.013851
"1503236"	305.103051	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Hac-H"	59.013851
"973332"	313.069351	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-H+NaCOOH"	66.980151
"122603"	281.058602	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+2Cl"	69.938804
"560340"	404.103202	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+2Cl"	69.938804
"1029139"	158.014002	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2Cl"	69.938804
"1249815"	325.008085	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Br"	78.918885
"1312265"	327.064072	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl+HCOOH"	80.974872
"1334510"	349.046029	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl+NaCOOH"	102.956829
"926423"	359.074786	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M-H+CF3COOH"	112.985586
"1302643"	395.051464	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl+CF3COOH"	148.962264
"1381778"	211.076524	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H-2H2O"	-35.012676
"1397206"	229.0865	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H-H2O"	-17.0027
"296526"	493.185676	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+H"	1.007276
"689315"	739.274876	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+H"	1.007276
"1365906"	247.096476	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H"	1.007276
"139643"	247.096476	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+2H"	2.014552
"578838"	370.141076	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+2H"	2.014552
"1047999"	124.051876	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2H"	2.014552
"212984"	165.066742666667	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+3H"	3.021828
"650357"	247.096476	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+3H"	3.021828
"1177609"	83.0370093333333	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+3H"	3.021828
"439701"	510.212223	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+NH4"	18.033823
"800904"	756.301423	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+NH4"	18.033823
"1696379"	264.123023	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+NH4"	18.033823
"341744"	255.6097495	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+H+NH4"	19.041099
"734163"	378.6543495	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+H+NH4"	19.041099
"1487983"	132.5651495	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H+NH4"	19.041099
"404478"	515.167618	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+Na"	22.989218
"765474"	761.256818	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+Na"	22.989218
"1610293"	269.078418	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Na"	22.989218
"325798"	258.087447	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+H+Na"	23.996494
"721383"	381.132047	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+H+Na"	23.996494
"1469852"	135.042847	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H+Na"	23.996494
"1058725"	90.3643233333333	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2H+Na"	25.00377
"1268057"	279.122686	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+CH3OH+H"	33.033486
"384446"	531.141558	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+K"	38.963158
"748723"	777.230758	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+K"	38.963158
"1549683"	285.052358	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+K"	38.963158
"310138"	266.074417	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+H+K"	39.970434
"703290"	389.119017	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+H+K"	39.970434
"1456381"	143.029817	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H+K"	39.970434
"244987"	534.212226	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+ACN+H"	42.033826
"1218788"	288.123026	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+ACN+H"	42.033826
"1204861"	144.565151	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+ACN+2H"	43.041102
"196638"	537.14956	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+2Na-H"	44.97116
"639477"	783.23876	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+2Na-H"	44.97116
"1141892"	291.06036	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2Na-H"	44.97116
"184087"	269.078418	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+2Na"	45.978436
"616717"	392.123018	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+2Na"	45.978436
"1118764"	146.033818	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2Na"	45.978436
"1400585"	97.6916373333333	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H+2Na"	46.985712
"1431607"	293.101946	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H+HCOOH"	47.012746
"222394"	274.11144	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+3H2O+2H"	56.04448
"1509612"	307.15399	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+IsoProp+H"	61.06479
"410029"	277.065388	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+Na+K"	61.952376
"771761"	400.109988	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+Na+K"	61.952376
"1674295"	154.020788	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Na+K"	61.952376
"260813"	556.194168	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+ACN+Na"	64.015768
"1230604"	310.104968	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+ACN+Na"	64.015768
"1719125"	310.128493	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+NH4+HCOOH"	64.039293
"1183385"	105.018951333333	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+3Na"	68.967654
"1657652"	315.083888	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Na+HCOOH"	68.994688
"166699"	569.09744	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+2K-H"	76.91904
"605167"	815.18664	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+2K-H"	76.91904
"1095146"	323.00824	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2K-H"	76.91904
"148684"	285.052358	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"2M+2K"	77.926316
"589337"	408.096958	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"3M+2K"	77.926316
"1072757"	162.007758	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2K"	77.926316
"1104872"	325.022792	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2K+H"	78.933592
"1341257"	325.110407	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+DMSO+H"	79.021207
"1010881"	329.149576	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2ACN+H"	83.060376
"1533380"	330.143208	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+IsoProp+Na+H"	84.054008
"991085"	165.078426	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+2ACN+2H"	84.067652
"1588869"	331.057828	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+K+HCOOH"	84.968628
"1414650"	361.089338	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+H+CF3COOH"	115.000138
"1155759"	185.591701	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+3ACN+2H"	125.094202
"1703123"	378.115885	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+NH4+CF3COOH"	132.026685
"1640962"	383.07128	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+Na+CF3COOH"	136.98208
"1573698"	399.04522	"C09276"	"Marmesin;()-Marmesin"	"C14H14O4"	"246.0892"	"M+K+CF3COOH"	152.95602
"809168"	288.0634	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M"	0
"986715"	269.04501	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"75322"	191.034990666667	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"503067"	287.056124	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"880657"	95.0138573333333	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"1416"	287.056124	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"443165"	431.087824	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"822059"	143.024424	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"82051"	575.119524	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"527079"	863.182924	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"907067"	287.056124	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"60347"	592.146071	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"495535"	880.209471	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"874430"	304.082671	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"41240"	597.101466	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"476790"	885.164866	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"856415"	309.038066	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1629231"	309.038066	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"102479"	305.044463	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"542040"	449.076163	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"928994"	161.012763	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"268645"	611.096202	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"666532"	899.159602	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1275658"	323.032802	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"21496"	613.075406	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"462150"	901.138806	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"839952"	325.012006	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1561251"	325.012006	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"956790"	333.061594	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"373548"	621.125001	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"360229"	635.140651	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1505533"	347.077251	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"972712"	355.043551	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"123442"	323.032802	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"561542"	467.064502	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1032528"	179.001102	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1249925"	366.982285	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1315655"	369.038272	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1335224"	391.020229	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"926770"	401.048986	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1302025"	437.025664	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1381273"	253.050724	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1396953"	271.0607	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"295541"	577.134076	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"688696"	865.197476	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1363951"	289.070676	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"139750"	289.070676	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"576393"	433.102376	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1046286"	145.038976	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"213093"	193.049542666667	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"649373"	289.070676	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1175160"	97.0284093333333	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"436244"	594.160623	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"798335"	882.224023	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1690290"	306.097223	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"343313"	297.5839495	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"735003"	441.6156495	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1488459"	153.5522495	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"405319"	599.116018	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"765949"	887.179418	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1614410"	311.052618	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"324086"	300.061647	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"720523"	444.093347	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1471786"	156.029947	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1062112"	104.355723333333	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1267074"	321.096886	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"387835"	615.089958	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"747740"	903.153358	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1547608"	327.026558	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"308429"	308.048617	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"698300"	452.080317	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1453213"	164.016917	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"244005"	618.160626	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1221086"	330.097226	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1204969"	165.552251	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"197841"	621.09796	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"641411"	909.16136	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1144067"	333.03456	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"177636"	311.052618	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"622660"	455.084318	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1118874"	167.020918	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1403492"	111.683037333333	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1430865"	335.076146	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"221653"	316.08564	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1510818"	349.12819	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"411600"	319.039588	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"774789"	463.071288	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1673310"	175.007888	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"261653"	640.142568	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1231443"	352.079168	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1718143"	352.102693	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1184590"	119.010351333333	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1653023"	357.058088	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"161342"	653.04584	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"608557"	941.10924	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1091976"	364.98244	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"148794"	327.026558	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"589448"	471.058258	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1078334"	182.994858	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1107169"	366.996992	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1342460"	367.084607	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1010991"	371.123776	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1532397"	372.117408	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"992288"	186.065526	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1589344"	373.032028	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1420109"	403.063538	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1155871"	206.578801	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1703233"	420.090085	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1638885"	425.04548	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1574172"	441.01942	"C09277"	"Micromelin"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"811465"	246.0892	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M"	0
"989010"	227.07081	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-H2O-H"	-19.01839
"76524"	163.052190666667	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M-3H"	-3.021828
"507340"	245.081924	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M-3H"	-3.021828
"885141"	81.0224573333333	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-3H"	-3.021828
"2619"	245.081924	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H"	-2.014552
"445461"	368.126524	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H"	-2.014552
"825449"	122.037324	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-2H"	-2.014552
"87628"	491.171124	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M-H"	-1.007276
"520629"	737.260324	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M-H"	-1.007276
"899888"	245.081924	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-H"	-1.007276
"58272"	508.197671	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H+NH4"	16.019271
"495645"	754.286871	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H+NH4"	16.019271
"874540"	262.108471	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-2H+NH4"	16.019271
"39162"	513.153066	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H+Na"	20.974666
"482368"	759.242266	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H+Na"	20.974666
"859807"	267.063866	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-2H+Na"	20.974666
"1627155"	267.063866	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Na-2H"	20.974666
"100403"	263.070263	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M-H+Cl"	33.962126
"543244"	386.114863	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M-H+Cl"	33.962126
"928011"	140.025663	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-H+Cl"	33.962126
"268025"	527.147802	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+Cl"	34.969402
"666642"	773.237002	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+Cl"	34.969402
"1275768"	281.058602	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl"	34.969402
"18325"	529.127006	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M-2H+K"	36.948606
"457887"	775.216206	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M-2H+K"	36.948606
"845530"	283.037806	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-2H+K"	36.948606
"1562456"	283.037806	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+K-2H"	36.948606
"954714"	291.087394	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-H+HCOOH"	44.998194
"374752"	537.176601	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+HCOOH-H"	44.998201
"357904"	551.192251	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+Hac-H"	59.013851
"1502362"	305.103051	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Hac-H"	59.013851
"971728"	313.069351	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-H+NaCOOH"	66.980151
"123186"	281.058602	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+2Cl"	69.938804
"560559"	404.103202	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+2Cl"	69.938804
"1030451"	158.014002	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2Cl"	69.938804
"1251128"	325.008085	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Br"	78.918885
"1316858"	327.064072	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl+HCOOH"	80.974872
"1334724"	349.046029	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl+NaCOOH"	102.956829
"925053"	359.074786	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M-H+CF3COOH"	112.985586
"1303226"	395.051464	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Cl+CF3COOH"	148.962264
"1381747"	211.076524	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H-2H2O"	-35.012676
"1398155"	229.0865	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H-H2O"	-17.0027
"296380"	493.185676	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+H"	1.007276
"689169"	739.274876	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+H"	1.007276
"1365883"	247.096476	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H"	1.007276
"140230"	247.096476	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+2H"	2.014552
"576503"	370.141076	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+2H"	2.014552
"1043116"	124.051876	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2H"	2.014552
"209922"	165.066742666667	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+3H"	3.021828
"652764"	247.096476	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+3H"	3.021828
"1175634"	83.0370093333333	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+3H"	3.021828
"437446"	510.212223	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+NH4"	18.033823
"796986"	756.301423	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+NH4"	18.033823
"1692587"	264.123023	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+NH4"	18.033823
"340505"	255.6097495	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+H+NH4"	19.041099
"733288"	378.6543495	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+H+NH4"	19.041099
"1489296"	132.5651495	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H+NH4"	19.041099
"404696"	515.167618	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+Na"	22.989218
"766059"	761.256818	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+Na"	22.989218
"1612698"	269.078418	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Na"	22.989218
"323831"	258.087447	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+H+Na"	23.996494
"721364"	381.132047	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+H+Na"	23.996494
"1475542"	135.042847	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H+Na"	23.996494
"1061131"	90.3643233333333	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2H+Na"	25.00377
"1268643"	279.122686	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+CH3OH+H"	33.033486
"387945"	531.141558	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+K"	38.963158
"747849"	777.230758	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+K"	38.963158
"1548811"	285.052358	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+K"	38.963158
"309997"	266.074417	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+H+K"	39.970434
"700596"	389.119017	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+H+K"	39.970434
"1453322"	143.029817	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H+K"	39.970434
"246301"	534.212226	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+ACN+H"	42.033826
"1221196"	288.123026	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+ACN+H"	42.033826
"1207266"	144.565151	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+ACN+2H"	43.041102
"196858"	537.14956	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+2Na-H"	44.97116
"640792"	783.23876	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+2Na-H"	44.97116
"1145027"	291.06036	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2Na-H"	44.97116
"174464"	269.078418	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+2Na"	45.978436
"619490"	392.123018	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+2Na"	45.978436
"1118252"	146.033818	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2Na"	45.978436
"1403966"	97.6916373333333	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H+2Na"	46.985712
"1431340"	293.101946	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H+HCOOH"	47.012746
"221404"	274.11144	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+3H2O+2H"	56.04448
"1511295"	307.15399	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+IsoProp+H"	61.06479
"412075"	277.065388	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+Na+K"	61.952376
"778181"	400.109988	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+Na+K"	61.952376
"1673423"	154.020788	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Na+K"	61.952376
"261033"	556.194168	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+ACN+Na"	64.015768
"1232648"	310.104968	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+ACN+Na"	64.015768
"1721534"	310.128493	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+NH4+HCOOH"	64.039293
"1186887"	105.018951333333	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+3Na"	68.967654
"1658968"	315.083888	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Na+HCOOH"	68.994688
"168015"	569.09744	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+2K-H"	76.91904
"602107"	815.18664	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+2K-H"	76.91904
"1088806"	323.00824	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2K-H"	76.91904
"144531"	285.052358	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"2M+2K"	77.926316
"589558"	408.096958	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"3M+2K"	77.926316
"1074070"	162.007758	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2K"	77.926316
"1103999"	325.022792	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2K+H"	78.933592
"1340384"	325.110407	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+DMSO+H"	79.021207
"1015475"	329.149576	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2ACN+H"	83.060376
"1532507"	330.143208	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+IsoProp+Na+H"	84.054008
"992032"	165.078426	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+2ACN+2H"	84.067652
"1590182"	331.057828	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+K+HCOOH"	84.968628
"1419126"	361.089338	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+H+CF3COOH"	115.000138
"1160354"	185.591701	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+3ACN+2H"	125.094202
"1704436"	378.115885	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+NH4+CF3COOH"	132.026685
"1641183"	383.07128	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+Na+CF3COOH"	136.98208
"1571731"	399.04522	"C09278"	"Nodakenetin;(-)-Marmesin"	"C14H14O4"	"246.0892"	"M+K+CF3COOH"	152.95602
"814855"	408.142	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M"	0
"989918"	389.12361	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-H2O-H"	-19.01839
"78508"	271.087390666667	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M-3H"	-3.021828
"506358"	407.134724	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M-3H"	-3.021828
"886346"	135.040057333333	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-3H"	-3.021828
"10385"	407.134724	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M-2H"	-2.014552
"444479"	611.205724	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M-2H"	-2.014552
"831879"	203.063724	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-2H"	-2.014552
"91993"	815.276724	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M-H"	-1.007276
"524021"	1223.418724	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M-H"	-1.007276
"904009"	407.134724	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-H"	-1.007276
"62519"	832.303271	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M-2H+NH4"	16.019271
"502403"	1240.445271	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M-2H+NH4"	16.019271
"877932"	424.161271	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-2H+NH4"	16.019271
"45834"	837.258666	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M-2H+Na"	20.974666
"485759"	1245.400666	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M-2H+Na"	20.974666
"862469"	429.116666	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-2H+Na"	20.974666
"1631638"	429.116666	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Na-2H"	20.974666
"103793"	425.123063	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M-H+Cl"	33.962126
"546999"	629.194063	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M-H+Cl"	33.962126
"929215"	221.052063	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-H+Cl"	33.962126
"269959"	851.253402	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+Cl"	34.969402
"666752"	1259.395402	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+Cl"	34.969402
"1280252"	443.111402	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Cl"	34.969402
"23903"	853.232606	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M-2H+K"	36.948606
"464557"	1261.374606	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M-2H+K"	36.948606
"848238"	445.090606	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-2H+K"	36.948606
"1569126"	445.090606	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+K-2H"	36.948606
"955919"	453.140194	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-H+HCOOH"	44.998194
"375472"	861.282201	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+HCOOH-H"	44.998201
"360203"	875.297851	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+Hac-H"	59.013851
"1505752"	467.155851	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Hac-H"	59.013851
"966733"	475.122151	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-H+NaCOOH"	66.980151
"123296"	443.111402	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+2Cl"	69.938804
"563949"	647.182402	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+2Cl"	69.938804
"1032748"	239.040402	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2Cl"	69.938804
"1254518"	487.060885	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Br"	78.918885
"1318061"	489.116872	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Cl+HCOOH"	80.974872
"1335447"	511.098829	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Cl+NaCOOH"	102.956829
"926793"	521.127586	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M-H+CF3COOH"	112.985586
"1303830"	557.104264	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Cl+CF3COOH"	148.962264
"1382647"	373.129324	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H-2H2O"	-35.012676
"1396806"	391.1393	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H-H2O"	-17.0027
"297221"	817.291276	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+H"	1.007276
"689642"	1225.433276	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+H"	1.007276
"1366356"	409.149276	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H"	1.007276
"139610"	409.149276	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+2H"	2.014552
"577706"	613.220276	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+2H"	2.014552
"1048329"	205.078276	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2H"	2.014552
"213313"	273.101942666667	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+3H"	3.021828
"652874"	409.149276	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+3H"	3.021828
"1178300"	137.054609333333	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+3H"	3.021828
"435369"	834.317823	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+NH4"	18.033823
"797826"	1242.459823	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+NH4"	18.033823
"1693790"	426.175823	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+NH4"	18.033823
"339883"	417.6625495	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+H+NH4"	19.041099
"737773"	621.7335495	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+H+NH4"	19.041099
"1488314"	213.5915495	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H+NH4"	19.041099
"405900"	839.273218	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+Na"	22.989218
"765802"	1247.415218	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+Na"	22.989218
"1611713"	431.131218	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Na"	22.989218
"322843"	420.140247	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+H+Na"	23.996494
"715262"	624.211247	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+H+Na"	23.996494
"1472369"	216.069247	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H+Na"	23.996494
"1064155"	144.381923333333	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2H+Na"	25.00377
"1266197"	441.175486	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+CH3OH+H"	33.033486
"387691"	855.247158	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+K"	38.963158
"751601"	1263.389158	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+K"	38.963158
"1548916"	447.105158	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+K"	38.963158
"309374"	428.127217	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+H+K"	39.970434
"701799"	632.198217	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+H+K"	39.970434
"1452335"	224.056217	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H+K"	39.970434
"249689"	858.317826	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+ACN+H"	42.033826
"1224346"	450.175826	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+ACN+H"	42.033826
"1208228"	225.591551	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+ACN+2H"	43.041102
"201705"	861.25516	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+2Na-H"	44.97116
"642967"	1269.39716	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+2Na-H"	44.97116
"1145498"	453.11316	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2Na-H"	44.97116
"178950"	431.131218	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+2Na"	45.978436
"622880"	635.202218	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+2Na"	45.978436
"1120187"	227.060218	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2Na"	45.978436
"1403348"	151.709237333333	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H+2Na"	46.985712
"1432180"	455.154746	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H+HCOOH"	47.012746
"222243"	436.16424	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+3H2O+2H"	56.04448
"1510312"	469.20679	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+IsoProp+H"	61.06479
"412185"	439.118188	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+Na+K"	61.952376
"781571"	643.189188	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+Na+K"	61.952376
"1675719"	235.047188	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Na+K"	61.952376
"258956"	880.299768	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+ACN+Na"	64.015768
"1236038"	472.157768	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+ACN+Na"	64.015768
"1723831"	472.181293	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+NH4+HCOOH"	64.039293
"1186997"	159.036551333333	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+3Na"	68.967654
"1660171"	477.136688	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Na+HCOOH"	68.994688
"168125"	893.20304	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+2K-H"	76.91904
"604404"	1301.34504	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+2K-H"	76.91904
"1090011"	485.06104	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2K-H"	76.91904
"150108"	447.105158	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"2M+2K"	77.926316
"585294"	651.176158	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"3M+2K"	77.926316
"1076368"	243.034158	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2K"	77.926316
"1105203"	487.075592	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2K+H"	78.933592
"1341588"	487.163207	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+DMSO+H"	79.021207
"1010118"	491.202376	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2ACN+H"	83.060376
"1530430"	492.196008	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+IsoProp+Na+H"	84.054008
"993966"	246.104826	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+2ACN+2H"	84.067652
"1590292"	493.110628	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+K+HCOOH"	84.968628
"1419236"	523.142138	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+H+CF3COOH"	115.000138
"1158277"	266.618101	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+3ACN+2H"	125.094202
"1704546"	540.168685	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+NH4+CF3COOH"	132.026685
"1641293"	545.12408	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+Na+CF3COOH"	136.98208
"1573664"	561.09802	"C09279"	"Nodakenin"	"C20H24O9"	"408.142"	"M+K+CF3COOH"	152.95602
"811687"	244.1099	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M"	0
"986316"	225.09151	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-H2O-H"	-19.01839
"73465"	161.732657333333	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M-3H"	-3.021828
"508652"	243.102624	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M-3H"	-3.021828
"885360"	80.3626906666667	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-3H"	-3.021828
"5030"	243.102624	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M-2H"	-2.014552
"442769"	365.157574	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M-2H"	-2.014552
"828949"	121.047674	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-2H"	-2.014552
"93520"	487.212524	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M-H"	-1.007276
"531781"	731.322424	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M-H"	-1.007276
"909585"	243.102624	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-H"	-1.007276
"61168"	504.239071	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M-2H+NH4"	16.019271
"501578"	748.348971	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M-2H+NH4"	16.019271
"879788"	260.129171	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-2H+NH4"	16.019271
"45822"	509.194466	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M-2H+Na"	20.974666
"484776"	753.304366	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M-2H+Na"	20.974666
"862578"	265.084566	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-2H+Na"	20.974666
"1628467"	265.084566	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Na-2H"	20.974666
"109861"	261.090963	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M-H+Cl"	33.962126
"548445"	383.145913	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M-H+Cl"	33.962126
"932605"	139.036013	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-H+Cl"	33.962126
"276629"	523.189202	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+Cl"	34.969402
"673428"	767.299102	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+Cl"	34.969402
"1284736"	279.079302	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Cl"	34.969402
"25106"	525.168406	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M-2H+K"	36.948606
"464667"	769.278306	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M-2H+K"	36.948606
"845386"	281.058506	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-2H+K"	36.948606
"1567052"	281.058506	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+K-2H"	36.948606
"951654"	289.108094	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-H+HCOOH"	44.998194
"374242"	533.218001	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+HCOOH-H"	44.998201
"355937"	547.233651	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+Hac-H"	59.013851
"1502584"	303.123751	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Hac-H"	59.013851
"970125"	311.090051	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-H+NaCOOH"	66.980151
"119033"	279.079302	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+2Cl"	69.938804
"559686"	401.134252	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+2Cl"	69.938804
"1036025"	157.024352	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2Cl"	69.938804
"1255725"	323.028785	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Br"	78.918885
"1319718"	325.084772	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Cl+HCOOH"	80.974872
"1334580"	347.066729	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Cl+NaCOOH"	102.956829
"926498"	357.095486	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M-H+CF3COOH"	112.985586
"1303818"	393.072164	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Cl+CF3COOH"	148.962264
"1381731"	209.097224	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H-2H2O"	-35.012676
"1396553"	227.1072	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H-H2O"	-17.0027
"298060"	489.227076	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+H"	1.007276
"690116"	733.336976	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+H"	1.007276
"1364642"	245.117176	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H"	1.007276
"139718"	245.117176	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+2H"	2.014552
"578546"	367.172126	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+2H"	2.014552
"1045521"	123.062226	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2H"	2.014552
"216704"	163.747209333333	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+3H"	3.021828
"656263"	245.117176	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+3H"	3.021828
"1173298"	82.3772426666667	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+3H"	3.021828
"438277"	506.253623	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+NH4"	18.033823
"799395"	750.363523	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+NH4"	18.033823
"1695359"	262.143723	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+NH4"	18.033823
"343273"	253.6304495	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+H+NH4"	19.041099
"736426"	375.6853995	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+H+NH4"	19.041099
"1488425"	131.5754995	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H+NH4"	19.041099
"406011"	511.209018	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+Na"	22.989218
"763723"	755.318918	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+Na"	22.989218
"1611824"	267.099118	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Na"	22.989218
"320767"	256.108147	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+H+Na"	23.996494
"716472"	378.163097	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+H+Na"	23.996494
"1471386"	134.053197	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H+Na"	23.996494
"1061349"	89.7045566666667	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2H+Na"	25.00377
"1268132"	277.143386	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+CH3OH+H"	33.033486
"385978"	527.182958	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+K"	38.963158
"749161"	771.292858	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+K"	38.963158
"1550123"	283.073058	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+K"	38.963158
"311670"	264.095117	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+H+K"	39.970434
"703001"	386.150067	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+H+K"	39.970434
"1459009"	142.040167	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H+K"	39.970434
"250892"	530.253626	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+ACN+H"	42.033826
"1225306"	286.143726	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+ACN+H"	42.033826
"1206394"	143.575501	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+ACN+2H"	43.041102
"199265"	533.19096	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+2Na-H"	44.97116
"641011"	777.30086	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+2Na-H"	44.97116
"1146937"	289.08106	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2Na-H"	44.97116
"179060"	267.099118	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+2Na"	45.978436
"620073"	389.154068	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+2Na"	45.978436
"1119202"	145.044168	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2Na"	45.978436
"1401631"	97.0318706666667	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H+2Na"	46.985712
"1433382"	291.122646	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H+HCOOH"	47.012746
"223079"	272.13214	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+3H2O+2H"	56.04448
"1511507"	305.17469	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+IsoProp+H"	61.06479
"411557"	275.086088	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+Na+K"	61.952376
"774021"	397.141038	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+Na+K"	61.952376
"1674730"	153.031138	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Na+K"	61.952376
"260157"	552.235568	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+ACN+Na"	64.015768
"1238335"	308.125668	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+ACN+Na"	64.015768
"1723941"	308.149193	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+NH4+HCOOH"	64.039293
"1183827"	104.359184666667	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+3Na"	68.967654
"1662468"	313.104588	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Na+HCOOH"	68.994688
"170422"	565.13884	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+2K-H"	76.91904
"603421"	809.24874	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+2K-H"	76.91904
"1090122"	321.02894	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2K-H"	76.91904
"148032"	283.073058	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"2M+2K"	77.926316
"587592"	405.128008	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"3M+2K"	77.926316
"1076479"	161.018108	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2K"	77.926316
"1105315"	323.043492	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2K+H"	78.933592
"1340607"	323.131107	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+DMSO+H"	79.021207
"1011687"	327.170276	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2ACN+H"	83.060376
"1534914"	328.163908	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+IsoProp+Na+H"	84.054008
"993711"	164.088776	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+2ACN+2H"	84.067652
"1591496"	329.078528	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+K+HCOOH"	84.968628
"1418253"	359.110038	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+H+CF3COOH"	115.000138
"1155105"	184.602051	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+3ACN+2H"	125.094202
"1699554"	376.136585	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+NH4+CF3COOH"	132.026685
"1634840"	381.09198	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+Na+CF3COOH"	136.98208
"1573774"	397.06592	"C09280"	"Osthol"	"C15H16O3"	"244.1099"	"M+K+CF3COOH"	152.95602
"816911"	298.1569	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M"	0
"988612"	279.13851	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-H2O-H"	-19.01839
"75762"	197.763990666667	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M-3H"	-3.021828
"513135"	297.149624	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M-3H"	-3.021828
"885471"	98.3783573333333	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-3H"	-3.021828
"1860"	297.149624	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M-2H"	-2.014552
"446887"	446.228074	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M-2H"	-2.014552
"826874"	148.071174	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-2H"	-2.014552
"84678"	595.306524	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M-H"	-1.007276
"529706"	893.463424	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M-H"	-1.007276
"907510"	297.149624	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-H"	-1.007276
"56417"	612.333071	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M-2H+NH4"	16.019271
"492698"	910.489971	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M-2H+NH4"	16.019271
"874872"	314.176171	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-2H+NH4"	16.019271
"45327"	617.288466	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M-2H+Na"	20.974666
"486884"	915.445366	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M-2H+Na"	20.974666
"863419"	319.131566	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-2H+Na"	20.974666
"1628579"	319.131566	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Na-2H"	20.974666
"108387"	315.137963	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M-H+Cl"	33.962126
"548920"	464.216413	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M-H+Cl"	33.962126
"933809"	166.059513	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-H+Cl"	33.962126
"271274"	631.283202	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+Cl"	34.969402
"671352"	929.440102	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+Cl"	34.969402
"1284848"	333.126302	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Cl"	34.969402
"31138"	633.262406	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M-2H+K"	36.948606
"471374"	931.419306	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M-2H+K"	36.948606
"848049"	335.105506	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-2H+K"	36.948606
"1570081"	335.105506	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+K-2H"	36.948606
"956138"	343.155094	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-H+HCOOH"	44.998194
"374355"	641.312001	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+HCOOH-H"	44.998201
"358603"	655.327651	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+Hac-H"	59.013851
"1504155"	357.170751	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Hac-H"	59.013851
"973277"	365.137051	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-H+NaCOOH"	66.980151
"121696"	333.126302	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+2Cl"	69.938804
"559797"	482.204752	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+2Cl"	69.938804
"1036789"	184.047852	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2Cl"	69.938804
"1254742"	377.075785	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Br"	78.918885
"1319716"	379.131772	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Cl+HCOOH"	80.974872
"1335306"	401.113729	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Cl+NaCOOH"	102.956829
"926851"	411.142486	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M-H+CF3COOH"	112.985586
"1303723"	447.119164	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Cl+CF3COOH"	148.962264
"1380989"	263.144224	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H-2H2O"	-35.012676
"1395570"	281.1542	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H-H2O"	-17.0027
"295984"	597.321076	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+H"	1.007276
"691239"	895.477976	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+H"	1.007276
"1364750"	299.164176	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H"	1.007276
"141385"	299.164176	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+2H"	2.014552
"578656"	448.242626	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+2H"	2.014552
"1046726"	150.085726	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2H"	2.014552
"213535"	199.778542666667	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+3H"	3.021828
"655281"	299.164176	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+3H"	3.021828
"1172316"	100.392909333333	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+3H"	3.021828
"435592"	614.347623	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+NH4"	18.033823
"797681"	912.504523	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+NH4"	18.033823
"1693286"	316.190723	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+NH4"	18.033823
"340106"	307.6774495	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+H+NH4"	19.041099
"732527"	456.7558995	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+H+NH4"	19.041099
"1489630"	158.5989995	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H+NH4"	19.041099
"406852"	619.303018	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+Na"	22.989218
"764928"	917.459918	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+Na"	22.989218
"1610841"	321.146118	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Na"	22.989218
"323063"	310.155147	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+H+Na"	23.996494
"713297"	459.233597	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+H+Na"	23.996494
"1471496"	161.076697	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H+Na"	23.996494
"1061457"	107.720223333333	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2H+Na"	25.00377
"1267513"	331.190386	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+CH3OH+H"	33.033486
"386088"	635.276958	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+K"	38.963158
"749271"	933.433858	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+K"	38.963158
"1552416"	337.120058	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+K"	38.963158
"310687"	318.142117	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+H+K"	39.970434
"703112"	467.220567	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+H+K"	39.970434
"1459851"	169.063667	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H+K"	39.970434
"250518"	638.347626	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+ACN+H"	42.033826
"1224324"	340.190726	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+ACN+H"	42.033826
"1207592"	170.599001	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+ACN+2H"	43.041102
"202654"	641.28496	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+2Na-H"	44.97116
"642215"	939.44186	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+2Na-H"	44.97116
"1143531"	343.12806	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2Na-H"	44.97116
"181355"	321.146118	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+2Na"	45.978436
"617996"	470.224568	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+2Na"	45.978436
"1122228"	172.067668	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2Na"	45.978436
"1400283"	115.047537333333	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H+2Na"	46.985712
"1432034"	345.169646	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H+HCOOH"	47.012746
"222460"	326.17914	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+3H2O+2H"	56.04448
"1509187"	359.22169	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+IsoProp+H"	61.06479
"408873"	329.133088	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+Na+K"	61.952376
"774131"	478.211538	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+Na+K"	61.952376
"1678852"	180.054638	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Na+K"	61.952376
"263549"	660.329568	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+ACN+Na"	64.015768
"1238447"	362.172668	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+ACN+Na"	64.015768
"1722960"	362.196193	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+NH4+HCOOH"	64.039293
"1188314"	122.374851333333	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+3Na"	68.967654
"1659296"	367.151588	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Na+HCOOH"	68.994688
"167251"	673.23284	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+2K-H"	76.91904
"603530"	971.38974	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+2K-H"	76.91904
"1091326"	375.07594	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2K-H"	76.91904
"153611"	337.120058	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"2M+2K"	77.926316
"590984"	486.198508	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"3M+2K"	77.926316
"1075496"	188.041608	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2K"	77.926316
"1111985"	377.090492	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2K+H"	78.933592
"1345089"	377.178107	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+DMSO+H"	79.021207
"1013619"	381.217276	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2ACN+H"	83.060376
"1531744"	382.210908	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+IsoProp+Na+H"	84.054008
"993821"	191.112276	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+2ACN+2H"	84.067652
"1592702"	383.125528	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+K+HCOOH"	84.968628
"1426020"	413.157038	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+H+CF3COOH"	115.000138
"1160685"	211.625551	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+3ACN+2H"	125.094202
"1701487"	430.183585	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+NH4+CF3COOH"	132.026685
"1641511"	435.13898	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+Na+CF3COOH"	136.98208
"1576071"	451.11292	"C09281"	"Ostruthin"	"C19H22O3"	"298.1569"	"M+K+CF3COOH"	152.95602
"809718"	286.0841	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M"	0
"985444"	267.06571	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"71498"	189.715457333333	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"509965"	285.076824	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"885581"	94.3540906666667	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"876"	285.076824	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"441529"	428.118874	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"821518"	142.034774	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"82602"	571.160924	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"526536"	857.245024	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"904339"	285.076824	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"53248"	588.187471	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"497183"	874.271571	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"873890"	302.103371	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"43616"	593.142866	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"484998"	879.226966	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"862437"	307.058766	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1621035"	307.058766	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"109883"	303.065163	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"548058"	446.107213	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"932825"	160.023113	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"269197"	607.137602	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"672555"	893.221702	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1283865"	321.053502	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"30434"	609.116806	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"470361"	895.200906	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"847431"	323.032706	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1565087"	323.032706	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"955157"	331.082294	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"375195"	617.166401	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"356890"	631.182051	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1505722"	345.097951	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"970345"	353.064251	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"121077"	321.053502	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"559907"	464.095552	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1036000"	178.011452	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1254852"	365.002985	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1319847"	367.058972	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1335500"	389.040929	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"927061"	399.069686	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1303791"	435.046364	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1382192"	251.071424	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1395680"	269.0814	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"296460"	573.175476	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"691257"	859.259576	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1364861"	287.091376	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"141282"	287.091376	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"579130"	430.133426	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1049023"	144.049326	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"216925"	191.730009333333	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"654298"	287.091376	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1173519"	96.3686426666667	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"435699"	590.202023	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"797425"	876.286123	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1695220"	304.117923	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"342401"	295.6046495	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"736647"	438.6466995	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1490468"	152.5625995	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"407325"	595.157418	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"766131"	881.241518	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1608762"	309.073318	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"319893"	298.082347	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"710127"	441.124397	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1471605"	155.040297	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1058289"	103.695956666667	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1268716"	319.117586	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"386199"	611.131358	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"748288"	897.215458	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1550340"	325.047258	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"309705"	306.069317	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"702128"	449.111367	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1457044"	163.027267	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"247833"	614.202026	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1224917"	328.117926	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1205517"	164.562601	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"198389"	617.13936	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"640865"	903.22346	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1139267"	331.05526	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"184381"	309.073318	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"615186"	452.115368	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1117599"	166.031268	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1401121"	111.023270666667	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1432873"	333.096846	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"222934"	314.10634	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1509535"	347.14889	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"409099"	317.060288	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"773148"	460.102338	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1680056"	174.018238	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"266211"	636.183968	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1237464"	350.099868	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1725258"	350.123393	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1188425"	118.350584666667	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1664877"	355.078788	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"167363"	649.08724	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"603643"	935.17134	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1091436"	363.00314	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"150440"	325.047258	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"592188"	468.089308	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1075606"	182.005208	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1112095"	365.017692	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1345199"	365.105307	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1010449"	369.144476	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1531854"	370.138108	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"991135"	185.075876	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1591719"	371.052728	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1425038"	401.084238	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1158608"	205.589151	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1699411"	418.110785	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1635061"	423.06618	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1576181"	439.04012	"C09282"	"Oxypeucedanin"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"809828"	258.0892	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M"	0
"983366"	239.07081	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"69422"	171.052190666667	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"511169"	257.081924	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"885691"	85.0224573333333	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"2444"	257.081924	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"441639"	386.126524	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"823816"	128.037324	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"82713"	515.171124	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"526646"	773.260324	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"904449"	257.081924	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"53358"	532.197671	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"497293"	790.286871	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"877038"	274.108471	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"44091"	537.153066	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"485472"	795.242266	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"859267"	279.063866	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1620414"	279.063866	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"109459"	275.070263	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"547075"	404.114863	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"931842"	146.025663	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"269307"	551.147802	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"667197"	809.237002	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1285068"	293.058602	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"29449"	553.127006	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"470104"	811.216206	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"842801"	295.037806	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1566655"	295.037806	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"954537"	303.087394	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"374940"	561.176601	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"357729"	575.192251	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1505468"	317.103051	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"969727"	325.069351	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"121187"	293.058602	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"560017"	422.103202	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1036110"	164.014002	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1255694"	337.008085	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1319486"	339.064072	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1335039"	361.046029	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"926339"	371.074786	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1304026"	407.051464	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1382060"	223.076524	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1396154"	241.0865	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"297543"	517.185676	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"690773"	775.274876	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1363875"	259.096476	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"141229"	259.096476	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"579604"	388.141076	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1048405"	130.051876	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"217035"	173.066742666667	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"655501"	259.096476	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1172536"	87.0370093333333	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"432527"	534.212223	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"795711"	792.301423	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1693505"	276.123023	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"342509"	267.6097495	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"736390"	396.6543495	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1487662"	138.5651495	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"403059"	539.167618	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"760773"	797.256818	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1605592"	281.078418	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"320003"	270.087447	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"707562"	399.132047	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1467338"	141.042847	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1058399"	94.3643233333333	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1267733"	291.122686	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"385216"	555.141558	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"747305"	813.230758	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1548264"	297.052358	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"306535"	278.074417	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"703332"	407.119017	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1457154"	149.029817	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"246848"	558.212226	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1219558"	300.123026	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1205627"	150.565151	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"199591"	561.14956	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"639152"	819.23876	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1139377"	303.06036	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"183762"	281.078418	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"614563"	410.123018	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1116978"	152.033818	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1400501"	101.691637333333	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1432617"	305.101946	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"222676"	286.11144	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1510007"	319.15399	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"410059"	289.065388	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"772165"	418.109988	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1679438"	160.020788	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"265957"	580.194168	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1238667"	322.104968	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1724275"	322.128493	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1192909"	109.018951333333	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1662803"	327.083888	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"169661"	593.09744	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"603752"	851.18664	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1089358"	335.00824	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"146539"	297.052358	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"590110"	426.096958	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1075715"	168.007758	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1103457"	337.022792	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1339841"	337.110407	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1010559"	341.149576	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1526497"	342.143208	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"991125"	171.078426	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1591829"	343.057828	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1425148"	373.089338	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1160905"	191.591701	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1702802"	390.115885	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1638451"	395.07128	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1576291"	411.04522	"C09283"	"Peucedanin"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"809938"	386.1366	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M"	0
"984569"	367.11821	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-H2O-H"	-19.01839
"72812"	256.417124	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M-3H"	-3.021828
"511279"	385.129324	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M-3H"	-3.021828
"883614"	127.704924	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-3H"	-3.021828
"5470"	385.129324	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M-2H"	-2.014552
"443936"	578.197624	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M-2H"	-2.014552
"823926"	192.061024	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-2H"	-2.014552
"82823"	771.265924	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M-H"	-1.007276
"531981"	1157.402524	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M-H"	-1.007276
"904559"	385.129324	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-H"	-1.007276
"53468"	788.292471	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M-2H+NH4"	16.019271
"494123"	1174.429071	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M-2H+NH4"	16.019271
"874110"	402.155871	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-2H+NH4"	16.019271
"44201"	793.247866	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M-2H+Na"	20.974666
"483760"	1179.384466	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M-2H+Na"	20.974666
"851724"	407.111266	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-2H+Na"	20.974666
"1628910"	407.111266	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Na-2H"	20.974666
"106532"	403.117663	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M-H+Cl"	33.962126
"548278"	596.185963	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M-H+Cl"	33.962126
"938514"	210.049363	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-H+Cl"	33.962126
"267512"	807.242602	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+Cl"	34.969402
"667307"	1193.379202	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+Cl"	34.969402
"1284085"	421.106002	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Cl"	34.969402
"28830"	809.221806	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M-2H+K"	36.948606
"468759"	1195.358406	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M-2H+K"	36.948606
"842911"	423.085206	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-2H+K"	36.948606
"1568952"	423.085206	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+K-2H"	36.948606
"955375"	431.134794	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-H+HCOOH"	44.998194
"375415"	817.271401	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+HCOOH-H"	44.998201
"359660"	831.287051	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+Hac-H"	59.013851
"1506432"	445.150451	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Hac-H"	59.013851
"972024"	453.116751	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-H+NaCOOH"	66.980151
"120567"	421.106002	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+2Cl"	69.938804
"560127"	614.174302	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+2Cl"	69.938804
"1035010"	228.037702	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2Cl"	69.938804
"1254344"	465.055485	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Br"	78.918885
"1317523"	467.111472	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Cl+HCOOH"	80.974872
"1335393"	489.093429	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Cl+NaCOOH"	102.956829
"926895"	499.122186	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M-H+CF3COOH"	112.985586
"1303611"	535.098864	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Cl+CF3COOH"	148.962264
"1382453"	351.123924	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H-2H2O"	-35.012676
"1398294"	369.1339	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H-H2O"	-17.0027
"296313"	773.280476	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+H"	1.007276
"690802"	1159.417076	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+H"	1.007276
"1363257"	387.143876	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H"	1.007276
"140526"	387.143876	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+2H"	2.014552
"580083"	580.212176	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+2H"	2.014552
"1051434"	194.075576	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2H"	2.014552
"213866"	258.431676	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+3H"	3.021828
"654519"	387.143876	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+3H"	3.021828
"1173741"	129.719476	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+3H"	3.021828
"437012"	790.307023	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+NH4"	18.033823
"796915"	1176.443623	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+NH4"	18.033823
"1694342"	404.170423	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+NH4"	18.033823
"340433"	395.6571495	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+H+NH4"	19.041099
"733948"	588.7254495	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+H+NH4"	19.041099
"1487769"	202.5888495	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H+NH4"	19.041099
"402074"	795.262418	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+Na"	22.989218
"760883"	1181.399018	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+Na"	22.989218
"1603756"	409.125818	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Na"	22.989218
"320113"	398.134847	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+H+Na"	23.996494
"707915"	591.203147	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+H+Na"	23.996494
"1467448"	205.066547	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H+Na"	23.996494
"1061791"	137.04679	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2H+Na"	25.00377
"1265656"	419.170086	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+CH3OH+H"	33.033486
"387512"	811.236358	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+K"	38.963158
"748508"	1197.372958	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+K"	38.963158
"1548376"	425.099758	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+K"	38.963158
"307741"	406.121817	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+H+K"	39.970434
"704536"	599.190117	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+H+K"	39.970434
"1459086"	213.053517	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H+K"	39.970434
"248783"	814.307026	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+ACN+H"	42.033826
"1222947"	428.170426	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+ACN+H"	42.033826
"1206830"	214.588851	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+ACN+2H"	43.041102
"201161"	817.24436	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+2Na-H"	44.97116
"640358"	1203.38096	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+2Na-H"	44.97116
"1141674"	431.10776	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2Na-H"	44.97116
"183872"	409.125818	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+2Na"	45.978436
"616863"	602.194118	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+2Na"	45.978436
"1118912"	216.057518	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2Na"	45.978436
"1401706"	144.374104	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H+2Na"	46.985712
"1433824"	433.149346	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H+HCOOH"	47.012746
"223882"	414.15884	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+3H2O+2H"	56.04448
"1510120"	447.20139	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+IsoProp+H"	61.06479
"411630"	417.112788	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+Na+K"	61.952376
"774095"	610.181088	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+Na+K"	61.952376
"1680277"	224.044488	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Na+K"	61.952376
"262787"	836.288968	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+ACN+Na"	64.015768
"1239141"	450.152368	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+ACN+Na"	64.015768
"1726938"	450.175893	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+NH4+HCOOH"	64.039293
"1193384"	151.701418	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+3Na"	68.967654
"1663643"	455.131288	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Na+HCOOH"	68.994688
"170864"	849.19224	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+2K-H"	76.91904
"606048"	1235.32884	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+2K-H"	76.91904
"1092748"	463.05564	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2K-H"	76.91904
"152845"	425.099758	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"2M+2K"	77.926316
"589127"	618.168058	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"3M+2K"	77.926316
"1078012"	232.031458	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2K"	77.926316
"1106848"	465.070192	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2K+H"	78.933592
"1342139"	465.157807	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+DMSO+H"	79.021207
"1017231"	469.196976	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2ACN+H"	83.060376
"1530981"	470.190608	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+IsoProp+Na+H"	84.054008
"991963"	235.102126	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+2ACN+2H"	84.067652
"1589749"	471.105228	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+K+HCOOH"	84.968628
"1420882"	501.136738	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+H+CF3COOH"	115.000138
"1158828"	255.615401	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+3ACN+2H"	125.094202
"1700725"	518.163285	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+NH4+CF3COOH"	132.026685
"1638561"	523.11868	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+Na+CF3COOH"	136.98208
"1576401"	539.09262	"C09284"	"Peucenidin"	"C21H22O7"	"386.1366"	"M+K+CF3COOH"	152.95602
"810048"	246.0528	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M"	0
"986866"	227.03441	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-H2O-H"	-19.01839
"74743"	163.027924	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M-3H"	-3.021828
"510296"	245.045524	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M-3H"	-3.021828
"881536"	81.010324	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-3H"	-3.021828
"5580"	245.045524	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M-2H"	-2.014552
"444046"	368.071924	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M-2H"	-2.014552
"824036"	122.019124	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-2H"	-2.014552
"89494"	491.098324	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M-H"	-1.007276
"533184"	737.151124	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M-H"	-1.007276
"904669"	245.045524	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-H"	-1.007276
"56859"	508.124871	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M-2H+NH4"	16.019271
"494233"	754.177671	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M-2H+NH4"	16.019271
"875314"	262.072071	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-2H+NH4"	16.019271
"44310"	513.080266	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M-2H+Na"	20.974666
"486056"	759.133066	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M-2H+Na"	20.974666
"860581"	267.027466	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-2H+Na"	20.974666
"1631207"	267.027466	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Na-2H"	20.974666
"109518"	263.033863	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M-H+Cl"	33.962126
"548024"	386.060263	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M-H+Cl"	33.962126
"938624"	140.007463	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-H+Cl"	33.962126
"268554"	527.075002	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+Cl"	34.969402
"667417"	773.127802	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+Cl"	34.969402
"1282008"	281.022202	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Cl"	34.969402
"28940"	529.054206	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M-2H+K"	36.948606
"465219"	775.107006	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M-2H+K"	36.948606
"845207"	283.001406	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-2H+K"	36.948606
"1567603"	283.001406	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+K-2H"	36.948606
"955485"	291.050994	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-H+HCOOH"	44.998194
"376615"	537.103801	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+HCOOH-H"	44.998201
"355396"	551.119451	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+Hac-H"	59.013851
"1507633"	305.066651	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Hac-H"	59.013851
"970311"	313.032951	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-H+NaCOOH"	66.980151
"122864"	281.022202	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+2Cl"	69.938804
"563518"	404.048602	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+2Cl"	69.938804
"1035242"	157.995802	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2Cl"	69.938804
"1253726"	324.971685	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Br"	78.918885
"1316541"	327.027672	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Cl+HCOOH"	80.974872
"1335259"	349.009629	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Cl+NaCOOH"	102.956829
"926762"	359.038386	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M-H+CF3COOH"	112.985586
"1303761"	395.015064	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Cl+CF3COOH"	148.962264
"1382319"	211.040124	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H-2H2O"	-35.012676
"1397592"	229.0501	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H-H2O"	-17.0027
"297760"	493.112876	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+H"	1.007276
"691261"	739.165676	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+H"	1.007276
"1361546"	247.060076	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H"	1.007276
"140636"	247.060076	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+2H"	2.014552
"579464"	370.086476	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+2H"	2.014552
"1050086"	124.033676	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2H"	2.014552
"213976"	165.042476	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+3H"	3.021828
"654629"	247.060076	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+3H"	3.021828
"1175673"	83.024876	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+3H"	3.021828
"434935"	510.139423	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+NH4"	18.033823
"791558"	756.192223	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+NH4"	18.033823
"1691538"	264.086623	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+NH4"	18.033823
"338356"	255.5733495	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+H+NH4"	19.041099
"732964"	378.5997495	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+H+NH4"	19.041099
"1487515"	132.5469495	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H+NH4"	19.041099
"395624"	515.094818	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+Na"	22.989218
"760993"	761.147618	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+Na"	22.989218
"1603498"	269.042018	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Na"	22.989218
"314872"	258.051047	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+H+Na"	23.996494
"708146"	381.077447	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+H+Na"	23.996494
"1467558"	135.024647	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H+Na"	23.996494
"1058620"	90.35219	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2H+Na"	25.00377
"1265766"	279.086286	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+CH3OH+H"	33.033486
"387622"	531.068758	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+K"	38.963158
"745336"	777.121558	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+K"	38.963158
"1547392"	285.015958	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+K"	38.963158
"306756"	266.038017	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+H+K"	39.970434
"699177"	389.064417	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+H+K"	39.970434
"1459560"	143.011617	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H+K"	39.970434
"250228"	534.139426	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+ACN+H"	42.033826
"1224965"	288.086626	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+ACN+H"	42.033826
"1208035"	144.546951	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+ACN+2H"	43.041102
"202607"	537.07676	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+2Na-H"	44.97116
"641560"	783.12956	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+2Na-H"	44.97116
"1140692"	291.02396	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2Na-H"	44.97116
"181795"	269.042018	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+2Na"	45.978436
"615151"	392.068418	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+2Na"	45.978436
"1117196"	146.015618	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2Na"	45.978436
"1402180"	97.679504	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H+2Na"	46.985712
"1431745"	293.065546	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H+HCOOH"	47.012746
"223627"	274.07504	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+3H2O+2H"	56.04448
"1510231"	307.11759	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+IsoProp+H"	61.06479
"411011"	277.028988	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+Na+K"	61.952376
"772749"	400.055388	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+Na+K"	61.952376
"1677107"	154.002588	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Na+K"	61.952376
"260344"	556.121368	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+ACN+Na"	64.015768
"1233416"	310.068568	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+ACN+Na"	64.015768
"1727533"	310.092093	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+NH4+HCOOH"	64.039293
"1193656"	105.006818	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+3Na"	68.967654
"1664483"	315.047488	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Na+HCOOH"	68.994688
"170610"	569.02464	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+2K-H"	76.91904
"603244"	815.07744	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+2K-H"	76.91904
"1091765"	322.97184	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2K-H"	76.91904
"151862"	285.015958	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"2M+2K"	77.926316
"590330"	408.042358	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"3M+2K"	77.926316
"1078122"	161.989558	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2K"	77.926316
"1106958"	324.986392	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2K+H"	78.933592
"1344437"	325.074007	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+DMSO+H"	79.021207
"1014060"	329.113176	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2ACN+H"	83.060376
"1532185"	330.106808	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+IsoProp+Na+H"	84.054008
"993166"	165.060226	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+2ACN+2H"	84.067652
"1589859"	331.021428	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+K+HCOOH"	84.968628
"1420992"	361.052938	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+H+CF3COOH"	115.000138
"1155657"	185.573501	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+3ACN+2H"	125.094202
"1701929"	378.079485	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+NH4+CF3COOH"	132.026685
"1635391"	383.03488	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+Na+CF3COOH"	136.98208
"1577604"	399.00882	"C09285"	"Pimpinellin"	"C13H10O5"	"246.0528"	"M+K+CF3COOH"	152.95602
"812345"	496.2825	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M"	0
"986976"	477.26411	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-H2O-H"	-19.01839
"73032"	329.847724	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M-3H"	-3.021828
"513686"	495.275224	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M-3H"	-3.021828
"883835"	164.420224	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-3H"	-3.021828
"1437"	495.275224	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M-2H"	-2.014552
"443063"	743.416474	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M-2H"	-2.014552
"820866"	247.133974	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-2H"	-2.014552
"88511"	991.557724	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M-H"	-1.007276
"530256"	1487.840224	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M-H"	-1.007276
"902592"	495.275224	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-H"	-1.007276
"56969"	1008.584271	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M-2H+NH4"	16.019271
"494343"	1504.866771	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M-2H+NH4"	16.019271
"875424"	512.301771	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-2H+NH4"	16.019271
"44056"	1013.539666	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M-2H+Na"	20.974666
"484345"	1509.822166	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M-2H+Na"	20.974666
"857410"	517.257166	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-2H+Na"	20.974666
"1629128"	517.257166	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Na-2H"	20.974666
"106750"	513.263563	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M-H+Cl"	33.962126
"545217"	761.404813	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M-H+Cl"	33.962126
"938731"	265.122313	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-H+Cl"	33.962126
"268177"	1027.534402	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+Cl"	34.969402
"664247"	1523.816902	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+Cl"	34.969402
"1277743"	531.251902	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Cl"	34.969402
"27592"	1029.513606	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M-2H+K"	36.948606
"463142"	1525.796106	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M-2H+K"	36.948606
"842037"	533.231106	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-2H+K"	36.948606
"1562245"	533.231106	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+K-2H"	36.948606
"952315"	541.280694	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-H+HCOOH"	44.998194
"373809"	1037.563201	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+HCOOH-H"	44.998201
"352224"	1051.578851	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+Hac-H"	59.013851
"1502150"	555.296351	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Hac-H"	59.013851
"968597"	563.262651	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-H+NaCOOH"	66.980151
"114225"	531.251902	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+2Cl"	69.938804
"557065"	779.393152	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+2Cl"	69.938804
"1036446"	283.110652	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2Cl"	69.938804
"1255296"	575.201385	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Br"	78.918885
"1317015"	577.257372	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Cl+HCOOH"	80.974872
"1335125"	599.239329	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Cl+NaCOOH"	102.956829
"926792"	609.268086	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M-H+CF3COOH"	112.985586
"1304144"	645.244764	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Cl+CF3COOH"	148.962264
"1382388"	461.269824	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H-2H2O"	-35.012676
"1397703"	479.2798	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H-H2O"	-17.0027
"297020"	993.572276	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+H"	1.007276
"691143"	1489.854776	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+H"	1.007276
"1362020"	497.289776	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H"	1.007276
"139653"	497.289776	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+2H"	2.014552
"579938"	745.431026	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+2H"	2.014552
"1048007"	249.148526	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2H"	2.014552
"210806"	331.862276	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+3H"	3.021828
"651459"	497.289776	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+3H"	3.021828
"1175054"	166.434776	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+3H"	3.021828
"433952"	1010.598823	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+NH4"	18.033823
"791668"	1506.881323	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+NH4"	18.033823
"1693105"	514.316323	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+NH4"	18.033823
"339559"	505.8030495	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+H+NH4"	19.041099
"733074"	753.9442995	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+H+NH4"	19.041099
"1489812"	257.6617995	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H+NH4"	19.041099
"396827"	1015.554218	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+Na"	22.989218
"761103"	1511.836718	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+Na"	22.989218
"1603489"	519.271718	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Na"	22.989218
"315227"	508.280747	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+H+Na"	23.996494
"710565"	756.421997	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+H+Na"	23.996494
"1470949"	260.139497	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H+Na"	23.996494
"1059823"	173.76209	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2H+Na"	25.00377
"1269157"	529.315986	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+CH3OH+H"	33.033486
"386640"	1031.528158	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+K"	38.963158
"748726"	1527.810658	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+K"	38.963158
"1546408"	535.245658	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+K"	38.963158
"305773"	516.267717	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+H+K"	39.970434
"698194"	764.408967	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+H+K"	39.970434
"1457483"	268.126467	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H+K"	39.970434
"249002"	1034.598826	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+ACN+H"	42.033826
"1220982"	538.316326	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+ACN+H"	42.033826
"1207052"	269.661801	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+ACN+2H"	43.041102
"200287"	1037.53616	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+2Na-H"	44.97116
"637297"	1533.81866	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+2Na-H"	44.97116
"1139343"	541.25366	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2Na-H"	44.97116
"181906"	519.271718	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+2Na"	45.978436
"616710"	767.412968	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+2Na"	45.978436
"1118759"	271.130468	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2Na"	45.978436
"1400219"	181.089404	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H+2Na"	46.985712
"1430635"	543.295246	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H+HCOOH"	47.012746
"221186"	524.30474	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+3H2O+2H"	56.04448
"1508883"	557.34729	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+IsoProp+H"	61.06479
"408934"	527.258688	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+Na+K"	61.952376
"772859"	775.399938	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+Na+K"	61.952376
"1676852"	279.117438	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Na+K"	61.952376
"258995"	1056.580768	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+ACN+Na"	64.015768
"1231703"	560.298268	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+ACN+Na"	64.015768
"1720589"	560.321793	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+NH4+HCOOH"	64.039293
"1191051"	188.416718	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+3Na"	68.967654
"1665443"	565.277188	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Na+HCOOH"	68.994688
"170356"	1069.48404	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+2K-H"	76.91904
"604082"	1565.76654	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+2K-H"	76.91904
"1091876"	573.20154	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2K-H"	76.91904
"151972"	535.245658	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"2M+2K"	77.926316
"590437"	783.386908	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"3M+2K"	77.926316
"1076045"	287.104408	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2K"	77.926316
"1105975"	575.216092	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2K+H"	78.933592
"1344547"	575.303707	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+DMSO+H"	79.021207
"1013076"	579.342876	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2ACN+H"	83.060376
"1531201"	580.336508	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+IsoProp+Na+H"	84.054008
"994369"	290.175076	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+2ACN+2H"	84.067652
"1591062"	581.251128	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+K+HCOOH"	84.968628
"1421102"	611.282638	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+H+CF3COOH"	115.000138
"1155767"	310.688351	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+3ACN+2H"	125.094202
"1704226"	628.309185	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+NH4+CF3COOH"	132.026685
"1635501"	633.26458	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+Na+CF3COOH"	136.98208
"1579901"	649.23852	"C09286"	"Absinthin"	"C30H40O6"	"496.2825"	"M+K+CF3COOH"	152.95602
"809175"	246.1256	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M"	0
"987086"	227.10721	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"72049"	163.076457333333	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"513796"	245.118324	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"884309"	81.0345906666667	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"331"	245.118324	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"446453"	368.181124	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"820976"	122.055524	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"83154"	491.243924	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"527086"	737.369524	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"899422"	245.118324	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"57079"	508.270471	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"493360"	754.396071	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"874441"	262.144871	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"43073"	513.225866	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"484090"	759.351466	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"857520"	267.100266	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1629238"	267.100266	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"107589"	263.106663	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"544235"	386.169463	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"938843"	140.043863	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"270840"	527.220602	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"664357"	773.346202	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1276760"	281.095002	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"22598"	529.199806	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"463252"	775.325406	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"837773"	283.074206	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1562355"	283.074206	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"951330"	291.123794	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"368452"	537.249401	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"352334"	551.265051	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1502260"	305.139451	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"969800"	313.105751	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"116522"	281.095002	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"558269"	404.157802	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1034726"	158.032202	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1255766"	325.044485	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1318217"	327.100472	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1334994"	349.082429	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"926415"	359.111186	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1303850"	395.087864	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1382255"	211.112924	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1398016"	229.1229	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"294457"	493.258476	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"687971"	739.384076	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1362860"	247.132876	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"139031"	247.132876	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"575676"	370.195676	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1046292"	124.070076	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"210916"	165.091009333333	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"651569"	247.132876	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1175895"	83.0491426666667	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"434791"	510.285023	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"797248"	756.410623	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1690300"	264.159423	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"340035"	255.6461495	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"733550"	378.7089495	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1489560"	132.5833495	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"399124"	515.240418	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"761943"	761.366018	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1607124"	269.114818	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"318255"	258.123847	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"710677"	381.186647	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1470695"	135.061047	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1059934"	90.3764566666667	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1262705"	279.159086	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"381281"	531.214358	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"745556"	777.339958	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1542873"	285.088758	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"303697"	266.110817	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"700492"	389.173617	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1458686"	143.048017	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"249113"	534.285026	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1223280"	288.159426	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1207527"	144.583351	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"201977"	537.22236	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"639593"	783.34796	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1139819"	291.09676	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"184932"	269.114818	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"616101"	392.177618	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1119609"	146.052018	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1400941"	97.7037706666667	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1435251"	293.138346	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"226039"	274.14784	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1510452"	307.19039	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"411598"	277.101788	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"774792"	400.164588	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1673316"	154.038988	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"255460"	556.266968	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1231813"	310.141368	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1720335"	310.164893	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1184595"	105.031084666667	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1661053"	315.120288	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"166820"	569.17024	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"606379"	815.29584	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1090892"	323.04464	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"150989"	285.088758	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"591641"	408.151558	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1073968"	162.025958	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1103898"	325.059192	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1339190"	325.146807	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1008083"	329.185976	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1530217"	330.179608	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"990589"	165.096626	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1587156"	331.094228	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1421212"	361.125738	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1155877"	185.609901	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1704336"	378.152285	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1635611"	383.10768	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1580011"	399.08162	"C09287"	"Achillin"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"812565"	398.1132	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M"	0
"988654"	379.09481	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-H2O-H"	-19.01839
"75442"	264.401524	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M-3H"	-3.021828
"518040"	397.105924	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M-3H"	-3.021828
"886242"	131.697124	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-3H"	-3.021828
"5910"	397.105924	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M-2H"	-2.014552
"448750"	596.162524	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M-2H"	-2.014552
"819991"	198.049324	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-2H"	-2.014552
"78798"	795.219124	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M-H"	-1.007276
"520637"	1193.332324	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M-H"	-1.007276
"897344"	397.105924	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-H"	-1.007276
"51717"	812.245671	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M-2H+NH4"	16.019271
"494559"	1210.358871	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M-2H+NH4"	16.019271
"865802"	414.132471	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-2H+NH4"	16.019271
"40263"	817.201066	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M-2H+Na"	20.974666
"480918"	1215.314266	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M-2H+Na"	20.974666
"860906"	419.087866	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-2H+Na"	20.974666
"1622788"	419.087866	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Na-2H"	20.974666
"98223"	415.094263	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M-H+Cl"	33.962126
"536690"	614.150863	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M-H+Cl"	33.962126
"930206"	216.037663	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-H+Cl"	33.962126
"273138"	831.195802	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+Cl"	34.969402
"661187"	1229.309002	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+Cl"	34.969402
"1277964"	433.082602	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Cl"	34.969402
"26721"	833.175006	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M-2H+K"	36.948606
"466643"	1231.288206	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M-2H+K"	36.948606
"833874"	435.061806	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-2H+K"	36.948606
"1561367"	435.061806	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+K-2H"	36.948606
"951437"	443.111394	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-H+HCOOH"	44.998194
"368559"	841.224601	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+HCOOH-H"	44.998201
"353538"	855.240251	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+Hac-H"	59.013851
"1502370"	457.127051	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Hac-H"	59.013851
"969912"	465.093351	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-H+NaCOOH"	66.980151
"118819"	433.082602	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+2Cl"	69.938804
"560566"	632.139202	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+2Cl"	69.938804
"1031556"	234.026002	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2Cl"	69.938804
"1255148"	477.032085	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Br"	78.918885
"1316866"	479.088072	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Cl+HCOOH"	80.974872
"1335223"	501.070029	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Cl+NaCOOH"	102.956829
"926646"	511.098786	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M-H+CF3COOH"	112.985586
"1303843"	547.075464	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Cl+CF3COOH"	148.962264
"1382250"	363.100524	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H-2H2O"	-35.012676
"1397685"	381.1105	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H-H2O"	-17.0027
"296025"	797.233676	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+H"	1.007276
"690151"	1195.346876	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+H"	1.007276
"1364793"	399.120476	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H"	1.007276
"139870"	399.120476	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+2H"	2.014552
"577607"	598.177076	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+2H"	2.014552
"1047134"	200.063876	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2H"	2.014552
"213941"	266.416076	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+3H"	3.021828
"653867"	399.120476	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+3H"	3.021828
"1170898"	133.711676	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+3H"	3.021828
"438184"	814.260223	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+NH4"	18.033823
"798452"	1212.373423	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+NH4"	18.033823
"1690407"	416.147023	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+NH4"	18.033823
"337230"	407.6337495	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+H+NH4"	19.041099
"732202"	606.6903495	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+H+NH4"	19.041099
"1479823"	208.5771495	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H+NH4"	19.041099
"399233"	819.215618	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+Na"	22.989218
"759135"	1217.328818	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+Na"	22.989218
"1609423"	421.102418	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Na"	22.989218
"320553"	410.111447	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+H+Na"	23.996494
"714068"	609.168047	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+H+Na"	23.996494
"1467894"	211.054847	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H+Na"	23.996494
"1060043"	141.03899	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2H+Na"	25.00377
"1265002"	431.146686	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+CH3OH+H"	33.033486
"384670"	835.189558	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+K"	38.963158
"746759"	1233.302758	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+K"	38.963158
"1543348"	437.076358	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+K"	38.963158
"301984"	418.098417	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+H+K"	39.970434
"700602"	617.155017	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+H+K"	39.970434
"1459889"	219.041817	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H+K"	39.970434
"248494"	838.260226	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+ACN+H"	42.033826
"1223027"	440.147026	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+ACN+H"	42.033826
"1207272"	220.577151	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+ACN+2H"	43.041102
"200142"	841.19756	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+2Na-H"	44.97116
"638613"	1239.31076	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+2Na-H"	44.97116
"1141023"	443.08436	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2Na-H"	44.97116
"181034"	421.102418	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+2Na"	45.978436
"616215"	620.159018	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+2Na"	45.978436
"1117898"	222.045818	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2Na"	45.978436
"1405433"	148.366304	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H+2Na"	46.985712
"1436456"	445.125946	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H+HCOOH"	47.012746
"227245"	426.13544	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+3H2O+2H"	56.04448
"1509838"	459.17799	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+IsoProp+H"	61.06479
"408757"	429.089388	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+Na+K"	61.952376
"777089"	628.145988	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+Na+K"	61.952376
"1674519"	230.032788	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Na+K"	61.952376
"255934"	860.242168	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+ACN+Na"	64.015768
"1233748"	462.128968	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+ACN+Na"	64.015768
"1721540"	462.152493	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+NH4+HCOOH"	64.039293
"1189084"	155.693618	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+3Na"	68.967654
"1658975"	467.107888	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Na+HCOOH"	68.994688
"162556"	873.14544	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+2K-H"	76.91904
"608676"	1271.25864	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+2K-H"	76.91904
"1094282"	475.03224	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2K-H"	76.91904
"152193"	437.076358	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"2M+2K"	77.926316
"592846"	636.132958	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"3M+2K"	77.926316
"1076266"	238.019758	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2K"	77.926316
"1109476"	477.046792	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2K+H"	78.933592
"1344767"	477.134407	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+DMSO+H"	79.021207
"1011109"	481.173576	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2ACN+H"	83.060376
"1529235"	482.167208	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+IsoProp+Na+H"	84.054008
"992038"	241.090426	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+2ACN+2H"	84.067652
"1590191"	483.081828	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+K+HCOOH"	84.968628
"1425700"	513.113338	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+H+CF3COOH"	115.000138
"1155987"	261.603701	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+3ACN+2H"	125.094202
"1706634"	530.139885	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+NH4+CF3COOH"	132.026685
"1647388"	535.09528	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+Na+CF3COOH"	136.98208
"1580121"	551.06922	"C09288"	"Acroptilin;Chlorohyssopifolin C"	"C19H23ClO7"	"398.1132"	"M+K+CF3COOH"	152.95602
"810488"	232.1463	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M"	0
"984021"	213.12791	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"77737"	153.756924	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"515112"	231.139024	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"890726"	76.374824	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"7113"	231.139024	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"451047"	347.212174	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"822288"	115.065874	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"79479"	463.285324	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"520747"	695.431624	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"901828"	231.139024	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"49641"	480.311871	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"494669"	712.458171	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"869192"	248.165571	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"42560"	485.267266	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"483215"	717.413566	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"861017"	253.120966	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1626178"	253.120966	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"100520"	249.127363	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"540081"	365.200513	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"931409"	133.054213	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"274342"	499.262002	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"661660"	731.408302	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1278074"	267.115702	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"27560"	501.241206	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"466753"	733.387506	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"836899"	269.094906	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1561477"	269.094906	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"952640"	277.144494	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"369762"	509.290801	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"356928"	523.306451	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1505760"	291.160151	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"971115"	299.126451	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"121115"	267.115702	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"561769"	383.188852	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1028384"	151.042552	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1253431"	311.065185	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1318434"	313.121172	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1334969"	335.103129	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"925173"	345.131886	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1302976"	381.108564	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1382279"	197.133624	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1397542"	215.1436	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"296863"	465.299876	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"690625"	697.446176	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1366362"	233.153576	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"141077"	233.153576	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"580267"	349.226726	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1047609"	117.080426	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"211136"	155.771476	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"654342"	233.153576	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1171008"	78.389376	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"439389"	482.326423	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"799901"	714.472723	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1690517"	250.180123	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"337704"	241.6668495	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"732311"	357.7399995	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1479933"	125.5936995	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"402623"	487.281818	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"759245"	719.428118	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1609533"	255.135518	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"317383"	244.144547	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"714178"	360.217697	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1473469"	128.071397	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1060152"	85.71669	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1267298"	265.179786	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"385873"	503.255758	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"745775"	735.402058	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1552203"	271.109458	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"306099"	252.131517	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"701805"	368.204667	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1458905"	136.058367	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"248972"	506.326426	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1223501"	274.180126	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1207019"	137.593701	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"201345"	509.26376	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"641273"	741.41006	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1141133"	277.11746	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"178957"	255.135518	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"617418"	371.208668	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1118008"	139.062368	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1403356"	93.044004	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1437659"	279.159046	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"227355"	260.16854	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1509948"	293.21109	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"409275"	263.122488	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"778292"	379.195638	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1671348"	147.049338	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"253494"	528.308368	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1232763"	296.162068	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1718368"	296.185593	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1184818"	100.371318	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1655804"	301.140988	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"162666"	541.21164	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"605505"	773.35794	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1093298"	309.06534	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"150112"	271.109458	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"588580"	387.182608	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1076374"	155.036308	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1109585"	311.079892	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1344876"	311.167507	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1014499"	315.206676	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1530438"	316.200308	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"993606"	158.106976	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1592487"	317.114928	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1417058"	347.146438	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1155004"	178.620251	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1706744"	364.172985	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1648955"	369.12838	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1580231"	385.10232	"C09289"	"Alantolactone"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"809505"	350.1729	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M"	0
"981945"	331.15451	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-H2O-H"	-19.01839
"76756"	232.441324	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M-3H"	-3.021828
"515222"	349.165624	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M-3H"	-3.021828
"893022"	115.717024	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-3H"	-3.021828
"13420"	349.165624	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M-2H"	-2.014552
"453344"	524.252074	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M-2H"	-2.014552
"827865"	174.079174	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-2H"	-2.014552
"83484"	699.338524	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M-H"	-1.007276
"529604"	1049.511424	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M-H"	-1.007276
"905218"	349.165624	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-H"	-1.007276
"53031"	716.365071	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M-2H+NH4"	16.019271
"496966"	1066.537971	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M-2H+NH4"	16.019271
"871489"	366.192171	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-2H+NH4"	16.019271
"42670"	721.320466	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M-2H+Na"	20.974666
"486241"	1071.493366	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M-2H+Na"	20.974666
"861128"	371.147566	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-2H+Na"	20.974666
"1630663"	371.147566	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Na-2H"	20.974666
"101725"	367.153963	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M-H+Cl"	33.962126
"541285"	542.240413	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M-H+Cl"	33.962126
"932613"	192.067513	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-H+Cl"	33.962126
"276639"	735.315202	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+Cl"	34.969402
"671248"	1085.488102	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+Cl"	34.969402
"1278184"	385.142302	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Cl"	34.969402
"26941"	737.294406	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M-2H+K"	36.948606
"466863"	1087.467306	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M-2H+K"	36.948606
"841385"	387.121506	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-2H+K"	36.948606
"1563775"	387.121506	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+K-2H"	36.948606
"950565"	395.171094	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-H+HCOOH"	44.998194
"370967"	745.344001	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+HCOOH-H"	44.998201
"357039"	759.359651	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+Hac-H"	59.013851
"1505870"	409.186751	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Hac-H"	59.013851
"973412"	417.153051	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-H+NaCOOH"	66.980151
"124507"	385.142302	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+2Cl"	69.938804
"565165"	560.228752	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+2Cl"	69.938804
"1030681"	210.055852	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2Cl"	69.938804
"1251355"	429.091785	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Br"	78.918885
"1318179"	431.147772	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Cl+HCOOH"	80.974872
"1335159"	453.129729	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Cl+NaCOOH"	102.956829
"926945"	463.158486	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M-H+CF3COOH"	112.985586
"1303208"	499.135164	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Cl+CF3COOH"	148.962264
"1382721"	315.160224	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H-2H2O"	-35.012676
"1398392"	333.1702	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H-H2O"	-17.0027
"298356"	701.353076	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+H"	1.007276
"690132"	1051.525976	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+H"	1.007276
"1366844"	351.180176	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H"	1.007276
"140703"	351.180176	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+2H"	2.014552
"579287"	526.266626	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+2H"	2.014552
"1051365"	176.093726	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2H"	2.014552
"216713"	234.455876	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+3H"	3.021828
"657369"	351.180176	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+3H"	3.021828
"1173305"	117.731576	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+3H"	3.021828
"438771"	718.379623	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+NH4"	18.033823
"799765"	1068.552523	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+NH4"	18.033823
"1689535"	368.206723	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+NH4"	18.033823
"341825"	359.6934495	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+H+NH4"	19.041099
"732422"	534.7798995	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+H+NH4"	19.041099
"1490982"	184.6069995	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H+NH4"	19.041099
"401641"	723.335018	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+Na"	22.989218
"762637"	1073.507918	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+Na"	22.989218
"1610736"	373.162118	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Na"	22.989218
"324054"	362.171147	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+H+Na"	23.996494
"719756"	537.257597	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+H+Na"	23.996494
"1473579"	187.084697	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H+Na"	23.996494
"1062450"	125.05889	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2H+Na"	25.00377
"1268503"	383.206386	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+CH3OH+H"	33.033486
"388173"	739.308958	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+K"	38.963158
"750262"	1089.481858	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+K"	38.963158
"1549035"	389.136058	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+K"	38.963158
"309492"	370.158117	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+H+K"	39.970434
"701914"	545.244567	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+H+K"	39.970434
"1459016"	195.071667	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H+K"	39.970434
"248717"	742.379626	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+ACN+H"	42.033826
"1224099"	392.206726	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+ACN+H"	42.033826
"1207493"	196.607001	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+ACN+2H"	43.041102
"201455"	745.31696	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+2Na-H"	44.97116
"641016"	1095.48986	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+2Na-H"	44.97116
"1140150"	395.14406	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2Na-H"	44.97116
"176882"	373.162118	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+2Na"	45.978436
"614373"	548.248568	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+2Na"	45.978436
"1118850"	198.075668	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2Na"	45.978436
"1407842"	132.386204	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H+2Na"	46.985712
"1443237"	397.185646	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H+HCOOH"	47.012746
"229654"	378.19514	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+3H2O+2H"	56.04448
"1513341"	411.23769	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+IsoProp+H"	61.06479
"411208"	381.149088	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+Na+K"	61.952376
"778402"	556.235538	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+Na+K"	61.952376
"1671458"	206.062638	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Na+K"	61.952376
"254697"	764.361568	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+ACN+Na"	64.015768
"1232874"	414.188668	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+ACN+Na"	64.015768
"1718478"	414.212193	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+NH4+HCOOH"	64.039293
"1186022"	139.713518	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+3Na"	68.967654
"1658102"	419.167588	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Na+HCOOH"	68.994688
"163870"	777.26484	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+2K-H"	76.91904
"604521"	1127.43774	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+2K-H"	76.91904
"1092315"	427.09194	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2K-H"	76.91904
"150224"	389.136058	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"2M+2K"	77.926316
"591971"	564.222508	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"3M+2K"	77.926316
"1076484"	214.049608	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2K"	77.926316
"1107507"	429.106492	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2K+H"	78.933592
"1341705"	429.194107	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+DMSO+H"	79.021207
"1014609"	433.233276	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2ACN+H"	83.060376
"1530548"	434.226908	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+IsoProp+Na+H"	84.054008
"992620"	217.120276	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+2ACN+2H"	84.067652
"1592597"	435.141528	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+K+HCOOH"	84.968628
"1417168"	465.173038	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+H+CF3COOH"	115.000138
"1157299"	237.633551	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+3ACN+2H"	125.094202
"1704667"	482.199585	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+NH4+CF3COOH"	132.026685
"1645785"	487.15498	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+Na+CF3COOH"	136.98208
"1577061"	503.12892	"C09290"	"Alatolide"	"C19H26O6"	"350.1729"	"M+K+CF3COOH"	152.95602
"814722"	264.1362	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M"	0
"988620"	245.11781	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"76500"	175.083524	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"509864"	263.128924	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"886570"	87.038124	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"12799"	263.128924	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"452362"	395.197024	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"822508"	131.060824	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"83593"	527.265124	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"526437"	791.401324	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"905331"	263.128924	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"55335"	544.291671	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"499268"	808.427871	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"877071"	280.155471	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"43876"	549.247066	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"484900"	813.383266	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"862335"	285.110866	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1625310"	285.110866	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"104026"	281.117263	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"543585"	413.185363	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"933819"	149.049163	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"274562"	563.241802	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"665890"	827.378002	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1282666"	299.105602	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"20845"	565.221006	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"460408"	829.357206	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"837478"	301.084806	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1563886"	301.084806	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"948489"	309.134394	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"369986"	573.270601	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"353869"	587.286251	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1505982"	323.150051	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"968056"	331.116351	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"119150"	299.105602	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"564179"	431.173702	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1035165"	167.037502	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1255491"	343.055085	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1319155"	345.111072	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1335313"	367.093029	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"926742"	377.121786	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1303200"	413.098464	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1381488"	229.123524	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1397765"	247.1335	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"298414"	529.279676	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"691217"	793.415876	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1366462"	265.143476	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"140567"	265.143476	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"579758"	397.211576	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1048922"	133.075376	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"215734"	177.098076	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"655294"	265.143476	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1174513"	89.052676	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"437788"	546.306223	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"797687"	810.442423	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1688555"	282.170023	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"342299"	273.6567495	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"735814"	405.7248495	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1490728"	141.5886495	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"401751"	551.261618	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"767852"	815.397818	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1617044"	287.125418	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"328662"	276.134447	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"717681"	408.202547	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1475634"	144.066347	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1066938"	96.37999	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1270800"	297.169686	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"388284"	567.235558	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"752559"	831.371758	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1553521"	303.099358	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"314063"	284.121417	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"705306"	416.189517	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1460955"	152.053317	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"250650"	570.306226	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1223723"	306.170026	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1207607"	153.588651	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"200478"	573.24356	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"641131"	837.37976	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1143176"	309.10736	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"182454"	287.125418	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"623109"	419.193518	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1122241"	155.057318	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1407952"	103.707304	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1441161"	311.148946	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"227577"	292.15844	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1517826"	325.20099	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"416421"	295.112388	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"782528"	427.180488	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1672663"	163.044288	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"256997"	592.288168	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1235172"	328.151968	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1719686"	328.175493	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1179208"	111.034618	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1658213"	333.130888	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"169446"	605.19144	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"606820"	869.32764	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1094614"	341.05524	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"154709"	303.099358	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"592084"	435.167458	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1078784"	171.031258	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1108712"	343.069792	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1345096"	343.157407	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1013626"	347.196576	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1528471"	348.190208	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"996017"	174.101926	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1594897"	349.104828	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1416546"	379.136338	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1148660"	194.615201	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1703682"	396.162885	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1638239"	401.11828	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1574984"	417.09222	"C09291"	"Amaralin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"816165"	246.1256	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M"	0
"985445"	227.10721	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"75882"	163.076457333333	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"511068"	245.118324	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"891054"	81.0345906666667	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"10723"	245.118324	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"450285"	368.181124	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"820795"	122.055524	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"85890"	491.243924	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"526548"	737.369524	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"905441"	245.118324	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"57631"	508.270471	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"498285"	754.396071	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"878274"	262.144871	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"43985"	513.225866	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"484641"	759.351466	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"860989"	267.100266	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1623234"	267.100266	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"106322"	263.106663	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"539321"	386.169463	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"935019"	140.043863	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"274669"	527.220602	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"663811"	773.346202	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1278401"	281.095002	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"18769"	529.199806	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"457357"	775.325406	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"834794"	283.074206	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1566181"	283.074206	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"950784"	291.123794	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"370096"	537.249401	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"360055"	551.265051	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1502812"	305.139451	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"964885"	313.105751	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"118166"	281.095002	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"559914"	404.157802	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1031993"	158.032202	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1256325"	325.044485	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1317677"	327.100472	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1335054"	349.082429	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"925500"	359.111186	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1304060"	395.087864	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1382562"	211.112924	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1398353"	229.1229	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"295732"	493.258476	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"690341"	739.384076	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1361586"	247.132876	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"139214"	247.132876	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"569296"	370.195676	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1046116"	124.070076	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"208187"	165.091009333333	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"654311"	247.132876	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1170247"	83.0491426666667	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"431333"	510.285023	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"794516"	756.410623	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1681571"	264.159423	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"330862"	255.6461495	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"723648"	378.7089495	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1479900"	132.5833495	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"393718"	515.240418	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"763951"	761.366018	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1614237"	269.114818	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"324274"	258.123847	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"715602"	381.186647	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1471611"	135.061047	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1059389"	90.3764566666667	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1264349"	279.159086	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"386205"	531.214358	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"748295"	777.339958	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1552172"	285.088758	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"310806"	266.110817	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"702136"	389.173617	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1459235"	143.048017	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"248931"	534.285026	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1224196"	288.159426	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1203344"	144.583351	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"199495"	537.22236	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"640875"	783.34796	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1140370"	291.09676	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"179286"	269.114818	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"622126"	392.177618	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1120164"	146.052018	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1402594"	97.7037706666667	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1431430"	293.138346	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"224407"	274.14784	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1514657"	307.19039	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"412158"	277.101788	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"783731"	400.164588	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1676054"	154.038988	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"260387"	556.266968	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1237469"	310.141368	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1715423"	310.164893	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1181869"	105.031084666667	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1663790"	315.120288	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"169556"	569.17024	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"605836"	815.29584	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1094724"	323.04464	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"153726"	285.088758	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"593287"	408.151558	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1076706"	162.025958	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1105541"	325.059192	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1343017"	325.146807	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1009359"	329.185976	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1528579"	330.179608	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"993939"	165.096626	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1589538"	331.094228	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1418482"	361.125738	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1152050"	185.609901	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1699416"	378.152285	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1634376"	383.10768	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1575094"	399.08162	"C09292"	"Ambrosin;6beta-Hydroxy-4-oxo-10alphaH-ambrosa-211(13)-dien-12-oic acid gamma-lactone"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"808742"	304.1311	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M"	0
"982275"	285.11271	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-H2O-H"	-19.01839
"75992"	201.746790666667	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M-3H"	-3.021828
"511178"	303.123824	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M-3H"	-3.021828
"891164"	100.369757333333	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-3H"	-3.021828
"10833"	303.123824	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M-2H"	-2.014552
"450395"	455.189374	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M-2H"	-2.014552
"822362"	151.058274	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-2H"	-2.014552
"83814"	607.254924	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M-H"	-1.007276
"525566"	911.386024	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M-H"	-1.007276
"906282"	303.123824	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-H"	-1.007276
"56648"	624.281471	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M-2H+NH4"	16.019271
"499489"	928.412571	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M-2H+NH4"	16.019271
"875834"	320.150371	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-2H+NH4"	16.019271
"44095"	629.236866	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M-2H+Na"	20.974666
"484752"	933.367966	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M-2H+Na"	20.974666
"861100"	325.105766	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-2H+Na"	20.974666
"1626624"	325.105766	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Na-2H"	20.974666
"104245"	321.112163	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M-H+Cl"	33.962126
"539430"	473.177713	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M-H+Cl"	33.962126
"937315"	169.046613	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-H+Cl"	33.962126
"274779"	643.231602	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+Cl"	34.969402
"663919"	947.362702	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+Cl"	34.969402
"1277417"	339.100502	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Cl"	34.969402
"17786"	645.210806	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M-2H+K"	36.948606
"456981"	949.341906	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M-2H+K"	36.948606
"835513"	341.079706	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-2H+K"	36.948606
"1565927"	341.079706	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+K-2H"	36.948606
"950894"	349.129294	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-H+HCOOH"	44.998194
"371297"	653.260401	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+HCOOH-H"	44.998201
"357006"	667.276051	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+Hac-H"	59.013851
"1500735"	363.144951	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Hac-H"	59.013851
"964995"	371.111251	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-H+NaCOOH"	66.980151
"118276"	339.100502	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+2Cl"	69.938804
"562211"	491.166052	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+2Cl"	69.938804
"1033197"	187.034952	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2Cl"	69.938804
"1256071"	383.049985	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Br"	78.918885
"1317787"	385.105972	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Cl+HCOOH"	80.974872
"1335164"	407.087929	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Cl+NaCOOH"	102.956829
"926789"	417.116686	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M-H+CF3COOH"	112.985586
"1303413"	453.093364	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Cl+CF3COOH"	148.962264
"1381821"	269.118424	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H-2H2O"	-35.012676
"1398380"	287.1284	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H-H2O"	-17.0027
"296206"	609.269476	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+H"	1.007276
"690898"	913.400576	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+H"	1.007276
"1363153"	305.138376	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H"	1.007276
"136772"	305.138376	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+2H"	2.014552
"571593"	457.203926	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+2H"	2.014552
"1045496"	153.072826	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2H"	2.014552
"211576"	203.761342666667	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+3H"	3.021828
"653327"	305.138376	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+3H"	3.021828
"1166348"	102.384309333333	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+3H"	3.021828
"430350"	626.296023	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+NH4"	18.033823
"795718"	930.427123	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+NH4"	18.033823
"1681370"	322.164923	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+NH4"	18.033823
"330852"	313.6516495	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+H+NH4"	19.041099
"723273"	465.7171995	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+H+NH4"	19.041099
"1478307"	161.5860995	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H+NH4"	19.041099
"393463"	631.251418	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+Na"	22.989218
"761874"	935.382518	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+Na"	22.989218
"1615440"	327.120318	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Na"	22.989218
"325477"	316.129347	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+H+Na"	23.996494
"716805"	468.194897	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+H+Na"	23.996494
"1471721"	164.063797	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H+Na"	23.996494
"1059499"	109.711623333333	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2H+Na"	25.00377
"1265552"	337.164586	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+CH3OH+H"	33.033486
"385222"	647.225358	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+K"	38.963158
"748405"	951.356458	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+K"	38.963158
"1550459"	343.094258	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+K"	38.963158
"312009"	324.116317	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+H+K"	39.970434
"702246"	476.181867	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+H+K"	39.970434
"1459345"	172.050767	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H+K"	39.970434
"250013"	650.296026	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+ACN+H"	42.033826
"1221754"	346.164926	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+ACN+H"	42.033826
"1202359"	173.586101	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+ACN+2H"	43.041102
"200330"	653.23336	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+2Na-H"	44.97116
"636974"	957.36446	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+2Na-H"	44.97116
"1139386"	349.10226	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2Na-H"	44.97116
"176116"	327.120318	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+2Na"	45.978436
"614582"	479.185868	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+2Na"	45.978436
"1115897"	175.054768	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2Na"	45.978436
"1398808"	117.038937333333	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H+2Na"	46.985712
"1431904"	351.143846	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H+HCOOH"	47.012746
"221235"	332.15334	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+3H2O+2H"	56.04448
"1510757"	365.19589	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+IsoProp+H"	61.06479
"410080"	335.107288	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+Na+K"	61.952376
"784206"	487.172838	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+Na+K"	61.952376
"1676163"	183.041738	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Na+K"	61.952376
"260497"	672.277968	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+ACN+Na"	64.015768
"1237215"	368.146868	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+ACN+Na"	64.015768
"1723185"	368.170393	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+NH4+HCOOH"	64.039293
"1183072"	124.366251333333	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+3Na"	68.967654
"1651868"	373.125788	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Na+HCOOH"	68.994688
"166386"	685.18124	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+2K-H"	76.91904
"603760"	989.31234	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+2K-H"	76.91904
"1093740"	381.05014	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2K-H"	76.91904
"148369"	343.094258	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"2M+2K"	77.926316
"585742"	495.159808	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"3M+2K"	77.926316
"1074628"	191.028708	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2K"	77.926316
"1106744"	383.064692	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2K+H"	78.933592
"1339846"	383.152307	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+DMSO+H"	79.021207
"1010561"	387.191476	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2ACN+H"	83.060376
"1527596"	388.185108	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+IsoProp+Na+H"	84.054008
"992956"	194.099376	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+2ACN+2H"	84.067652
"1590741"	389.099728	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+K+HCOOH"	84.968628
"1419685"	419.131238	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+H+CF3COOH"	115.000138
"1152160"	214.612651	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+3ACN+2H"	125.094202
"1699526"	436.157785	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+NH4+CF3COOH"	132.026685
"1634322"	441.11318	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+Na+CF3COOH"	136.98208
"1575204"	457.08712	"C09293"	"Angustibalin;Helenalin 6-acetate"	"C17H20O5"	"304.1311"	"M+K+CF3COOH"	152.95602
"815417"	328.1158	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M"	0
"989319"	309.09741	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-H2O-H"	-19.01839
"77195"	217.736590666667	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M-3H"	-3.021828
"510193"	327.108524	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M-3H"	-3.021828
"887995"	108.364657333333	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-3H"	-3.021828
"5477"	327.108524	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M-2H"	-2.014552
"443945"	491.166424	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M-2H"	-2.014552
"818706"	163.050624	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-2H"	-2.014552
"80645"	655.224324	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M-H"	-1.007276
"518868"	983.340124	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M-H"	-1.007276
"903478"	327.108524	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-H"	-1.007276
"58949"	672.250871	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M-2H+NH4"	16.019271
"498146"	1000.366671	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M-2H+NH4"	16.019271
"876309"	344.135071	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-2H+NH4"	16.019271
"42754"	677.206266	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M-2H+Na"	20.974666
"483772"	1005.322066	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M-2H+Na"	20.974666
"860480"	349.090466	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-2H+Na"	20.974666
"1626734"	349.090466	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Na-2H"	20.974666
"103991"	345.096863	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M-H+Cl"	33.962126
"541728"	509.154763	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M-H+Cl"	33.962126
"935608"	181.038963	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-H+Cl"	33.962126
"271611"	691.201002	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+Cl"	34.969402
"667312"	1019.316802	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+Cl"	34.969402
"1276435"	363.085202	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Cl"	34.969402
"18019"	693.180206	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M-2H+K"	36.948606
"457821"	1021.296006	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M-2H+K"	36.948606
"832874"	365.064406	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-2H+K"	36.948606
"1558018"	365.064406	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+K-2H"	36.948606
"953192"	373.113994	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-H+HCOOH"	44.998194
"371043"	701.229801	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+HCOOH-H"	44.998201
"355292"	715.245451	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+Hac-H"	59.013851
"1499751"	387.129651	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Hac-H"	59.013851
"967292"	395.095951	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-H+NaCOOH"	66.980151
"120574"	363.085202	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+2Cl"	69.938804
"560134"	527.143102	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+2Cl"	69.938804
"1031122"	199.027302	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2Cl"	69.938804
"1255451"	407.034685	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Br"	78.918885
"1317532"	409.090672	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Cl+HCOOH"	80.974872
"1335035"	431.072629	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Cl+NaCOOH"	102.956829
"925843"	441.101386	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M-H+CF3COOH"	112.985586
"1304103"	477.078064	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Cl+CF3COOH"	148.962264
"1381811"	293.103124	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H-2H2O"	-35.012676
"1397969"	311.1131	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H-H2O"	-17.0027
"294495"	657.238876	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+H"	1.007276
"690936"	985.354676	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+H"	1.007276
"1362171"	329.123076	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H"	1.007276
"139435"	329.123076	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+2H"	2.014552
"574986"	493.180976	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+2H"	2.014552
"1047066"	165.065176	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2H"	2.014552
"214968"	219.751142666667	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+3H"	3.021828
"655625"	329.123076	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+3H"	3.021828
"1168283"	110.379209333333	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+3H"	3.021828
"431556"	674.265423	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+NH4"	18.033823
"789270"	1002.381223	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+NH4"	18.033823
"1681832"	346.149623	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+NH4"	18.033823
"338255"	337.6363495	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+H+NH4"	19.041099
"729584"	501.6942495	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+H+NH4"	19.041099
"1481217"	173.5784495	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H+NH4"	19.041099
"403178"	679.220818	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+Na"	22.989218
"767453"	1007.336618	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+Na"	22.989218
"1615551"	351.105018	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Na"	22.989218
"329236"	340.114047	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+H+Na"	23.996494
"716919"	504.171947	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+H+Na"	23.996494
"1474020"	176.056147	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H+Na"	23.996494
"1063989"	117.706523333333	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2H+Na"	25.00377
"1267851"	361.149286	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+CH3OH+H"	33.033486
"383145"	695.194758	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+K"	38.963158
"750704"	1023.310558	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+K"	38.963158
"1552757"	367.078958	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+K"	38.963158
"309935"	348.101017	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+H+K"	39.970434
"704541"	512.158917	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+H+K"	39.970434
"1459455"	184.043117	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H+K"	39.970434
"248056"	698.265426	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+ACN+H"	42.033826
"1224412"	370.149626	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+ACN+H"	42.033826
"1203199"	185.578451	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+ACN+2H"	43.041102
"200442"	701.20276	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+2Na-H"	44.97116
"640000"	1029.31856	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+2Na-H"	44.97116
"1139496"	373.08696	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2Na-H"	44.97116
"173432"	351.105018	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+2Na"	45.978436
"615421"	515.162918	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+2Na"	45.978436
"1119293"	187.047118	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2Na"	45.978436
"1400630"	125.033837333333	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H+2Na"	46.985712
"1439311"	375.128546	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H+HCOOH"	47.012746
"222808"	356.13804	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+3H2O+2H"	56.04448
"1510868"	389.18059	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+IsoProp+H"	61.06479
"413472"	359.091988	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+Na+K"	61.952376
"783223"	523.149888	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+Na+K"	61.952376
"1676276"	195.034088	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Na+K"	61.952376
"257329"	720.247368	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+ACN+Na"	64.015768
"1228944"	392.131568	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+ACN+Na"	64.015768
"1714914"	392.155093	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+NH4+HCOOH"	64.039293
"1185370"	132.361151333333	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+3Na"	68.967654
"1653075"	397.110488	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Na+HCOOH"	68.994688
"164310"	733.15064	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+2K-H"	76.91904
"603870"	1061.26644	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+2K-H"	76.91904
"1090569"	405.03484	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2K-H"	76.91904
"149573"	367.078958	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"2M+2K"	77.926316
"585854"	531.136858	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"3M+2K"	77.926316
"1079113"	203.021058	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2K"	77.926316
"1107947"	407.049392	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2K+H"	78.933592
"1342143"	407.137007	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+DMSO+H"	79.021207
"1009585"	411.176176	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2ACN+H"	83.060376
"1528806"	412.169808	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+IsoProp+Na+H"	84.054008
"1000728"	206.091726	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+2ACN+2H"	84.067652
"1595230"	413.084428	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+K+HCOOH"	84.968628
"1417608"	443.115938	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+H+CF3COOH"	115.000138
"1151178"	226.605001	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+3ACN+2H"	125.094202
"1698176"	460.142485	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+NH4+CF3COOH"	132.026685
"1634353"	465.09788	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+Na+CF3COOH"	136.98208
"1575314"	481.07182	"C09294"	"Anisatin"	"C15H20O8"	"328.1158"	"M+K+CF3COOH"	152.95602
"814430"	250.1569	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M"	0
"982495"	231.13851	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"77837"	165.763990666667	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"514677"	249.149624	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"888105"	82.3783573333333	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"5587"	249.149624	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"447335"	374.228074	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"819303"	124.071174	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"81848"	499.306524	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"521410"	749.463424	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"899212"	249.149624	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"56505"	516.333071	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"498981"	766.489971	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"873136"	266.176171	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"41038"	521.288466	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"482424"	771.445366	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"858403"	271.131566	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1624655"	271.131566	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"101184"	267.137963	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"536369"	392.216413	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"935352"	142.059513	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"272814"	535.283202	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"667422"	785.440102	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1279825"	285.126302	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"18129"	537.262406	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"459755"	787.419306	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"833545"	287.105506	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1559951"	287.105506	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"955488"	295.155094	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"371518"	545.312001	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"357587"	559.327651	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1503142"	309.170751	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"967402"	317.137051	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"120685"	285.126302	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"559882"	410.204752	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1033057"	160.047852	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1256411"	329.075785	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1318734"	331.131772	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1334655"	353.113729	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"925834"	363.142486	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1304094"	399.119164	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1381431"	215.144224	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1398323"	233.1542	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"298344"	501.321076	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"691294"	751.477976	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1366291"	251.164176	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"141325"	251.164176	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"574002"	376.242626	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1048270"	126.085726	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"216902"	167.778542666667	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"656828"	251.164176	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1170581"	84.3929093333333	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"433852"	518.347623	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"795940"	768.504523	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1685713"	268.190723	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"338365"	259.6774495	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"731881"	384.7558995	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1481327"	134.5989995	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"405476"	523.303018	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"769685"	773.459918	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1616756"	273.146118	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"329517"	262.155147	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"722260"	387.233597	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1476198"	137.076697	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1065190"	91.7202233333333	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1269055"	283.190386	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"385442"	539.276958	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"750814"	789.433858	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1553847"	289.120058	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"311140"	270.142117	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"705385"	395.220567	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1457380"	145.063667	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"249263"	542.347626	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1223065"	292.190726	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1205859"	146.599001	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"202735"	545.28496	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"635008"	795.44186	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1140700"	295.12806	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"174515"	273.146118	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"620270"	398.224568	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1120497"	148.067668	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1401833"	99.0475373333333	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1437598"	297.169646	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"222189"	278.17914	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1510615"	311.22169	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"417229"	281.133088	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"783333"	406.211538	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1676386"	156.054638	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"258534"	564.329568	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1229054"	314.172668	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1717940"	314.196193	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1185480"	106.374851333333	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1654280"	319.151588	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"163327"	577.23284	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"608356"	827.38974	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1092867"	327.07594	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"148590"	289.120058	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"589244"	414.198508	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1075941"	164.041608	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1110244"	329.090492	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1343349"	329.178107	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1008233"	333.217276	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1525146"	334.210908	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"1000838"	167.112276	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1597527"	335.125528	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1415165"	365.157038	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1149462"	187.625551	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1697557"	382.183585	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1637586"	387.13898	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1573237"	403.11292	"C09295"	"Arbusculin A"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"814540"	548.2621	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M"	0
"982605"	529.24371	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-H2O-H"	-19.01839
"78349"	364.500790666667	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M-3H"	-3.021828
"512602"	547.254824	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M-3H"	-3.021828
"888216"	181.746757333333	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-3H"	-3.021828
"3510"	547.254824	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M-2H"	-2.014552
"447445"	821.385874	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M-2H"	-2.014552
"818197"	273.123774	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-2H"	-2.014552
"80498"	1095.516924	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M-H"	-1.007276
"521520"	1643.779024	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M-H"	-1.007276
"895949"	547.254824	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-H"	-1.007276
"56979"	1112.543471	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M-2H+NH4"	16.019271
"497633"	1660.805571	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M-2H+NH4"	16.019271
"873246"	564.281371	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-2H+NH4"	16.019271
"43335"	1117.498866	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M-2H+Na"	20.974666
"484718"	1665.760966	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M-2H+Na"	20.974666
"861793"	569.236766	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-2H+Na"	20.974666
"1626953"	569.236766	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Na-2H"	20.974666
"101294"	565.243163	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M-H+Cl"	33.962126
"538666"	839.374213	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M-H+Cl"	33.962126
"936555"	291.112113	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-H+Cl"	33.962126
"271831"	1131.493602	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+Cl"	34.969402
"667532"	1679.755702	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+Cl"	34.969402
"1276655"	583.231502	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Cl"	34.969402
"16294"	1133.472806	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M-2H+K"	36.948606
"462052"	1681.734906	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M-2H+K"	36.948606
"833655"	585.210706	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-2H+K"	36.948606
"1560061"	585.210706	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+K-2H"	36.948606
"955598"	593.260294	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-H+HCOOH"	44.998194
"371628"	1141.522401	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+HCOOH-H"	44.998201
"357334"	1155.538051	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+Hac-H"	59.013851
"1503252"	607.275951	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Hac-H"	59.013851
"969698"	615.242251	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-H+NaCOOH"	66.980151
"122254"	583.231502	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+2Cl"	69.938804
"562909"	857.362552	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+2Cl"	69.938804
"1032801"	309.100452	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2Cl"	69.938804
"1255911"	627.180985	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Br"	78.918885
"1311188"	629.236972	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Cl+HCOOH"	80.974872
"1329779"	651.218929	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Cl+NaCOOH"	102.956829
"924483"	661.247686	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M-H+CF3COOH"	112.985586
"1299369"	697.224364	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Cl+CF3COOH"	148.962264
"1372428"	513.249424	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H-2H2O"	-35.012676
"1394662"	531.2594	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H-H2O"	-17.0027
"292527"	1097.531476	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+H"	1.007276
"691341"	1645.793576	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+H"	1.007276
"1361298"	549.269376	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H"	1.007276
"137832"	549.269376	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+2H"	2.014552
"571926"	823.400426	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+2H"	2.014552
"1040727"	275.138326	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2H"	2.014552
"211907"	366.515342666667	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+3H"	3.021828
"651469"	549.269376	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+3H"	3.021828
"1171781"	183.761309333333	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+3H"	3.021828
"435053"	1114.558023	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+NH4"	18.033823
"793862"	1662.820123	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+NH4"	18.033823
"1690193"	566.295923	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+NH4"	18.033823
"341752"	557.7826495	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+H+NH4"	19.041099
"728711"	831.9136995	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+H+NH4"	19.041099
"1481437"	283.6515995	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H+NH4"	19.041099
"403399"	1119.513418	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+Na"	22.989218
"769621"	1667.775518	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+Na"	22.989218
"1616866"	571.251318	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Na"	22.989218
"326540"	560.260347	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+H+Na"	23.996494
"722244"	834.391397	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+H+Na"	23.996494
"1475336"	286.129297	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H+Na"	23.996494
"1063115"	191.088623333333	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2H+Na"	25.00377
"1266977"	581.295586	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+CH3OH+H"	33.033486
"385552"	1135.487358	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+K"	38.963158
"750924"	1683.749458	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+K"	38.963158
"1554073"	587.225258	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+K"	38.963158
"311249"	568.247317	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+H+K"	39.970434
"704763"	842.378367	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+H+K"	39.970434
"1458582"	294.116267	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H+K"	39.970434
"247185"	1138.558026	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+ACN+H"	42.033826
"1223905"	590.295926	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+ACN+H"	42.033826
"1206332"	295.651601	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+ACN+2H"	43.041102
"194461"	1141.49536	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+2Na-H"	44.97116
"639492"	1689.75746	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+2Na-H"	44.97116
"1138624"	593.23326	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2Na-H"	44.97116
"174624"	571.251318	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+2Na"	45.978436
"615155"	845.382368	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+2Na"	45.978436
"1118176"	297.120268	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2Na"	45.978436
"1401943"	198.415937333333	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H+2Na"	46.985712
"1437344"	595.274846	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H+HCOOH"	47.012746
"224852"	576.28434	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+3H2O+2H"	56.04448
"1511455"	609.32689	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+IsoProp+H"	61.06479
"416975"	579.238288	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+Na+K"	61.952376
"783443"	853.369338	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+Na+K"	61.952376
"1675403"	305.107238	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Na+K"	61.952376
"259737"	1160.539968	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+ACN+Na"	64.015768
"1229528"	612.277868	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+ACN+Na"	64.015768
"1715498"	612.301393	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+NH4+HCOOH"	64.039293
"1183403"	205.743251333333	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+3Na"	68.967654
"1651474"	617.256788	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Na+HCOOH"	68.994688
"161249"	1173.44324	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+2K-H"	76.91904
"602999"	1721.70534	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+2K-H"	76.91904
"1090790"	625.18114	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2K-H"	76.91904
"147606"	587.225258	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"2M+2K"	77.926316
"591540"	861.356308	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"3M+2K"	77.926316
"1078239"	313.094208	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2K"	77.926316
"1109260"	627.195692	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2K+H"	78.933592
"1341272"	627.283307	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+DMSO+H"	79.021207
"1008463"	631.322476	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2ACN+H"	83.060376
"1525255"	632.316108	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+IsoProp+Na+H"	84.054008
"995476"	316.164876	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+2ACN+2H"	84.067652
"1596544"	633.230728	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+K+HCOOH"	84.968628
"1414667"	663.262238	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+H+CF3COOH"	115.000138
"1149572"	336.678151	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+3ACN+2H"	125.094202
"1698032"	680.288785	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+NH4+CF3COOH"	132.026685
"1637696"	685.24418	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+Na+CF3COOH"	136.98208
"1573347"	701.21812	"C09296"	"Archangelolide"	"C29H40O10"	"548.2621"	"M+K+CF3COOH"	152.95602
"813557"	350.1729	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M"	0
"982715"	331.15451	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-H2O-H"	-19.01839
"78535"	232.441324	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M-3H"	-3.021828
"513804"	349.165624	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M-3H"	-3.021828
"885046"	115.717024	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-3H"	-3.021828
"9090"	349.165624	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M-2H"	-2.014552
"453023"	524.252074	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M-2H"	-2.014552
"820984"	174.079174	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-2H"	-2.014552
"80608"	699.338524	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M-H"	-1.007276
"520171"	1049.511424	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M-H"	-1.007276
"899432"	349.165624	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-H"	-1.007276
"59276"	716.365071	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M-2H+NH4"	16.019271
"500659"	1066.537971	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M-2H+NH4"	16.019271
"872263"	366.192171	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-2H+NH4"	16.019271
"43445"	721.320466	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M-2H+Na"	20.974666
"484828"	1071.493366	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M-2H+Na"	20.974666
"863928"	371.147566	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-2H+Na"	20.974666
"1629251"	371.147566	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Na-2H"	20.974666
"100312"	367.153963	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M-H+Cl"	33.962126
"542058"	542.240413	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M-H+Cl"	33.962126
"934478"	192.067513	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-H+Cl"	33.962126
"273035"	735.315202	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+Cl"	34.969402
"666549"	1085.488102	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+Cl"	34.969402
"1274942"	385.142302	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Cl"	34.969402
"16526"	737.294406	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M-2H+K"	36.948606
"462162"	1087.467306	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M-2H+K"	36.948606
"838870"	387.121506	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-2H+K"	36.948606
"1557983"	387.121506	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+K-2H"	36.948606
"948053"	395.171094	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-H+HCOOH"	44.998194
"371738"	745.344001	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+HCOOH-H"	44.998201
"356352"	759.359651	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+Hac-H"	59.013851
"1504457"	409.186751	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Hac-H"	59.013851
"971275"	417.153051	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-H+NaCOOH"	66.980151
"122001"	385.142302	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+2Cl"	69.938804
"562657"	560.228752	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+2Cl"	69.938804
"1033278"	210.055852	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2Cl"	69.938804
"1255048"	429.091785	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Br"	78.918885
"1307289"	431.147772	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Cl+HCOOH"	80.974872
"1328796"	453.129729	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Cl+NaCOOH"	102.956829
"924957"	463.158486	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M-H+CF3COOH"	112.985586
"1302031"	499.135164	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Cl+CF3COOH"	148.962264
"1375818"	315.160224	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H-2H2O"	-35.012676
"1394408"	333.1702	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H-H2O"	-17.0027
"297863"	701.353076	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+H"	1.007276
"690651"	1051.525976	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+H"	1.007276
"1365054"	351.180176	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H"	1.007276
"139400"	351.180176	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+2H"	2.014552
"569847"	526.266626	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+2H"	2.014552
"1040836"	176.093726	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2H"	2.014552
"211653"	234.455876	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+3H"	3.021828
"646112"	351.180176	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+3H"	3.021828
"1165331"	117.731576	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+3H"	3.021828
"430791"	718.379623	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+NH4"	18.033823
"788507"	1068.552523	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+NH4"	18.033823
"1690303"	368.206723	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+NH4"	18.033823
"341862"	359.6934495	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+H+NH4"	19.041099
"725539"	534.7798995	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+H+NH4"	19.041099
"1481546"	184.6069995	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H+NH4"	19.041099
"402416"	723.335018	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+Na"	22.989218
"767786"	1073.507918	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+Na"	22.989218
"1614790"	373.162118	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Na"	22.989218
"327014"	362.171147	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+H+Na"	23.996494
"718343"	537.257597	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+H+Na"	23.996494
"1474352"	187.084697	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H+Na"	23.996494
"1066504"	125.05889	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2H+Na"	25.00377
"1264902"	383.206386	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+CH3OH+H"	33.033486
"384570"	739.308958	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+K"	38.963158
"753222"	1089.481858	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+K"	38.963158
"1553821"	389.136058	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+K"	38.963158
"311359"	370.158117	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+H+K"	39.970434
"705238"	545.244567	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+H+K"	39.970434
"1459423"	195.071667	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H+K"	39.970434
"247296"	742.379626	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+ACN+H"	42.033826
"1221099"	392.206726	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+ACN+H"	42.033826
"1206805"	196.607001	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+ACN+2H"	43.041102
"194571"	745.31696	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+2Na-H"	44.97116
"639237"	1095.48986	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+2Na-H"	44.97116
"1135819"	395.14406	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2Na-H"	44.97116
"173188"	373.162118	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+2Na"	45.978436
"613112"	548.248568	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+2Na"	45.978436
"1117192"	198.075668	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2Na"	45.978436
"1399257"	132.386204	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H+2Na"	46.985712
"1441828"	397.185646	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H+HCOOH"	47.012746
"226419"	378.19514	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+3H2O+2H"	56.04448
"1517398"	411.23769	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+IsoProp+H"	61.06479
"417085"	381.149088	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+Na+K"	61.952376
"782460"	556.235538	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+Na+K"	61.952376
"1676606"	206.062638	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Na+K"	61.952376
"256200"	764.361568	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+ACN+Na"	64.015768
"1230731"	414.188668	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+ACN+Na"	64.015768
"1717066"	414.212193	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+NH4+HCOOH"	64.039293
"1180596"	139.713518	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+3Na"	68.967654
"1652312"	419.167588	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Na+HCOOH"	68.994688
"162454"	777.26484	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+2K-H"	76.91904
"600921"	1127.43774	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+2K-H"	76.91904
"1091994"	427.09194	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2K-H"	76.91904
"147718"	389.136058	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"2M+2K"	77.926316
"587277"	564.222508	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"3M+2K"	77.926316
"1077255"	214.049608	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2K"	77.926316
"1106090"	429.106492	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2K+H"	78.933592
"1341383"	429.194107	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+DMSO+H"	79.021207
"1008816"	433.233276	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2ACN+H"	83.060376
"1525001"	434.226908	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+IsoProp+Na+H"	84.054008
"994493"	217.120276	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+2ACN+2H"	84.067652
"1596654"	435.141528	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+K+HCOOH"	84.968628
"1416845"	465.173038	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+H+CF3COOH"	115.000138
"1151871"	237.633551	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+3ACN+2H"	125.094202
"1700330"	482.199585	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+NH4+CF3COOH"	132.026685
"1637807"	487.15498	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+Na+CF3COOH"	136.98208
"1573457"	503.12892	"C09297"	"Arctiopicrin"	"C19H26O6"	"350.1729"	"M+K+CF3COOH"	152.95602
"813665"	320.126	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M"	0
"982825"	301.10761	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-H2O-H"	-19.01839
"77637"	212.410057333333	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M-3H"	-3.021828
"512822"	319.118724	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M-3H"	-3.021828
"889530"	105.701390666667	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-3H"	-3.021828
"7012"	319.118724	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M-2H"	-2.014552
"449853"	479.181724	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M-2H"	-2.014552
"821094"	159.055724	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-2H"	-2.014552
"81085"	639.244724	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M-H"	-1.007276
"519672"	959.370724	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M-H"	-1.007276
"898449"	319.118724	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-H"	-1.007276
"59386"	656.271271	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M-2H+NH4"	16.019271
"500770"	976.397271	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M-2H+NH4"	16.019271
"877477"	336.145271	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-2H+NH4"	16.019271
"43555"	661.226666	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M-2H+Na"	20.974666
"484941"	981.352666	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M-2H+Na"	20.974666
"859828"	341.100666	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-2H+Na"	20.974666
"1630455"	341.100666	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Na-2H"	20.974666
"99330"	337.107063	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M-H+Cl"	33.962126
"542168"	497.170063	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M-H+Cl"	33.962126
"936777"	177.044063	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-H+Cl"	33.962126
"276430"	675.221402	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+Cl"	34.969402
"668848"	995.347402	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+Cl"	34.969402
"1280886"	355.095402	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Cl"	34.969402
"24900"	677.200606	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M-2H+K"	36.948606
"462274"	997.326606	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M-2H+K"	36.948606
"841168"	357.074606	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-2H+K"	36.948606
"1562468"	357.074606	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+K-2H"	36.948606
"948165"	365.124194	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-H+HCOOH"	44.998194
"368570"	685.250201	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+HCOOH-H"	44.998201
"354640"	699.265851	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+Hac-H"	59.013851
"1504203"	379.139851	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Hac-H"	59.013851
"972111"	387.106151	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-H+NaCOOH"	66.980151
"123569"	355.095402	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+2Cl"	69.938804
"563130"	515.158402	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+2Cl"	69.938804
"1033751"	195.032402	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2Cl"	69.938804
"1254067"	399.044885	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Br"	78.918885
"1316877"	401.100872	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Cl+HCOOH"	80.974872
"1334618"	423.082829	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Cl+NaCOOH"	102.956829
"924338"	433.111586	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M-H+CF3COOH"	112.985586
"1302140"	469.088264	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Cl+CF3COOH"	148.962264
"1381032"	285.113324	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H-2H2O"	-35.012676
"1394883"	303.1233	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H-H2O"	-17.0027
"294935"	641.259276	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+H"	1.007276
"690638"	961.385276	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+H"	1.007276
"1362247"	321.133276	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H"	1.007276
"137323"	321.133276	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+2H"	2.014552
"568866"	481.196276	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+2H"	2.014552
"1040946"	161.070276	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2H"	2.014552
"207755"	214.424609333333	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+3H"	3.021828
"646223"	321.133276	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+3H"	3.021828
"1168722"	107.715942666667	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+3H"	3.021828
"427621"	658.285823	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+NH4"	18.033823
"788616"	978.411823	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+NH4"	18.033823
"1690413"	338.159823	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+NH4"	18.033823
"341972"	329.6465495	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+H+NH4"	19.041099
"733307"	489.7095495	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+H+NH4"	19.041099
"1482021"	169.5835495	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H+NH4"	19.041099
"402526"	663.241218	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+Na"	22.989218
"767896"	983.367218	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+Na"	22.989218
"1612714"	343.115218	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Na"	22.989218
"323844"	332.124247	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+H+Na"	23.996494
"718453"	492.187247	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+H+Na"	23.996494
"1474462"	172.061247	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H+Na"	23.996494
"1062239"	115.043256666667	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2H+Na"	25.00377
"1262826"	353.159486	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+CH3OH+H"	33.033486
"389057"	679.215158	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+K"	38.963158
"751146"	999.341158	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+K"	38.963158
"1549920"	359.089158	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+K"	38.963158
"309282"	340.111217	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+H+K"	39.970434
"703891"	500.174217	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+H+K"	39.970434
"1452242"	180.048217	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H+K"	39.970434
"243031"	682.285826	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+ACN+H"	42.033826
"1217928"	362.159826	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+ACN+H"	42.033826
"1202905"	181.583551	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+ACN+2H"	43.041102
"196870"	685.22316	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+2Na-H"	44.97116
"638619"	1005.34916	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+2Na-H"	44.97116
"1133376"	365.09716	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2Na-H"	44.97116
"174843"	343.115218	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+2Na"	45.978436
"612848"	503.178218	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+2Na"	45.978436
"1115690"	183.052218	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2Na"	45.978436
"1399367"	122.370570666667	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H+2Na"	46.985712
"1441938"	367.138746	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H+HCOOH"	47.012746
"225072"	348.14824	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+3H2O+2H"	56.04448
"1517508"	381.19079	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+IsoProp+H"	61.06479
"418288"	351.102188	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+Na+K"	61.952376
"781480"	511.165188	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+Na+K"	61.952376
"1678905"	191.039188	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Na+K"	61.952376
"261050"	704.267768	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+ACN+Na"	64.015768
"1234851"	384.141768	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+ACN+Na"	64.015768
"1721551"	384.165293	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+NH4+HCOOH"	64.039293
"1187998"	129.697884666667	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+3Na"	68.967654
"1655705"	389.120688	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Na+HCOOH"	68.994688
"162565"	717.17104	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+2K-H"	76.91904
"599938"	1037.29704	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+2K-H"	76.91904
"1094293"	397.04504	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2K-H"	76.91904
"148922"	359.089158	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"2M+2K"	77.926316
"586296"	519.152158	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"3M+2K"	77.926316
"1074084"	199.026158	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2K"	77.926316
"1110575"	399.059592	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2K+H"	78.933592
"1339305"	399.147207	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+DMSO+H"	79.021207
"1006986"	403.186376	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2ACN+H"	83.060376
"1528155"	404.180008	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+IsoProp+Na+H"	84.054008
"993510"	202.096826	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+2ACN+2H"	84.067652
"1598951"	405.094628	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+K+HCOOH"	84.968628
"1415863"	435.126138	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+H+CF3COOH"	115.000138
"1151619"	222.610101	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+3ACN+2H"	125.094202
"1700076"	452.152685	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+NH4+CF3COOH"	132.026685
"1637917"	457.10808	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+Na+CF3COOH"	136.98208
"1572474"	473.08202	"C09298"	"Arctolide"	"C17H20O6"	"320.126"	"M+K+CF3COOH"	152.95602
"813411"	306.1467	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M"	0
"978560"	287.12831	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"63763"	203.090524	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"510745"	305.139424	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"886360"	101.041624	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"7122"	305.139424	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"449963"	458.212774	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"822297"	152.066074	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"84475"	611.286124	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"519783"	917.432824	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"899652"	305.139424	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"58401"	628.312671	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"497963"	934.459371	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"875763"	322.165971	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"42573"	633.268066	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"483229"	939.414766	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"857752"	327.121366	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1628378"	327.121366	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"99440"	323.127763	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"540091"	476.201113	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"937980"	170.054413	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"276540"	647.262802	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"668593"	953.409502	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1281360"	341.116102	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"21729"	649.242006	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"459103"	955.388706	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"836904"	343.095306	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1561484"	343.095306	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"952647"	351.144894	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"368680"	657.291601	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"356937"	671.307251	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1506501"	365.160551	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"972223"	373.126851	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"123315"	341.116102	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"563240"	494.189452	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1032767"	188.042752	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1250896"	385.065585	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1314800"	387.121572	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1331204"	409.103529	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"924448"	419.132286	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1302249"	455.108964	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1379319"	271.134024	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1396451"	289.144	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"295409"	613.300676	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"689653"	919.447376	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1363085"	307.153976	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"140228"	307.153976	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"572255"	460.227326	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1045429"	154.080626	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"207865"	205.105076	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"645845"	307.153976	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1168832"	103.056176	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"431010"	630.327223	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"790913"	936.473923	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1690523"	324.180523	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"334427"	315.6672495	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"731228"	468.7405995	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1483954"	162.5938995	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"406280"	635.282618	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"768614"	941.429318	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1616958"	329.135918	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"322861"	318.144947	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"715283"	471.218297	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1473479"	165.071597	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1062349"	110.38349	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1264029"	339.180186	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"390261"	651.256558	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"750163"	957.403258	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1550030"	345.109858	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"310486"	326.131917	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"705095"	479.205267	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1456726"	173.058567	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"245328"	654.327226	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1215851"	348.180526	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1198641"	174.593901	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"196980"	657.26456	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"638365"	963.41126	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1134946"	351.11786	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"174711"	329.135918	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"612896"	482.209268	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1115701"	176.062568	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1399477"	117.710804	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1442048"	353.159446	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"225546"	334.16894	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1515796"	367.21149	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"417305"	337.122888	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"781589"	490.196238	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1674641"	184.049538	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"261159"	676.309168	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1236056"	370.162468	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1722753"	370.185993	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1187014"	125.038118	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1653627"	375.141388	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"161581"	689.21244	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"601142"	995.35914	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1087842"	383.06574	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"145752"	345.109858	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"586406"	498.183208	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1073101"	192.036508	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1112872"	385.080292	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1342695"	385.167907	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1007580"	389.207076	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1527171"	390.200708	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"990459"	195.107176	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1597967"	391.115328	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1415973"	421.146838	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1149542"	215.620451	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1699092"	438.173385	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1638027"	443.12878	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1572584"	459.10272	"C09299"	"Arnicolide A;Dihydrohelenalin acatate"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"814250"	246.1256	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M"	0
"978670"	227.10721	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"64724"	163.076457333333	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"518354"	245.118324	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"894124"	81.0345906666667	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"14646"	245.118324	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"452261"	368.181124	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"819856"	122.055524	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"84585"	491.243924	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"521961"	737.369524	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"899763"	245.118324	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"55231"	508.270471	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"498073"	754.396071	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"876606"	262.144871	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"43779"	513.225866	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"484066"	759.351466	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"861142"	267.100266	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1630674"	267.100266	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"98456"	263.106663	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"546399"	386.169463	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"934811"	140.043863	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"271180"	527.220602	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"665788"	773.346202	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1279284"	281.095002	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"20746"	529.199806	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"460307"	775.325406	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"837015"	283.074206	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1562689"	283.074206	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"949477"	291.123794	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"368790"	537.249401	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"358508"	551.265051	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1507340"	305.139451	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"972697"	313.105751	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"124158"	281.095002	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"562984"	404.157802	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1032877"	158.032202	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1251371"	325.044485	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1311631"	327.100472	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1331314"	349.082429	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"924195"	359.111186	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1302359"	395.087864	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1381616"	211.112924	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1394737"	229.1229	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"297707"	493.258476	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"690494"	739.384076	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1363925"	247.132876	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"139730"	247.132876	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"570180"	370.195676	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1043352"	124.070076	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"207976"	165.091009333333	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"644617"	247.132876	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1163350"	83.0491426666667	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"425408"	510.285023	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"786161"	756.410623	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1690633"	264.159423	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"336724"	255.6461495	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"728056"	378.7089495	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1488439"	132.5833495	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"403838"	515.240418	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"769534"	761.366018	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1615118"	269.114818	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"321878"	258.123847	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"716486"	381.186647	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1473588"	135.061047	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1065740"	90.3764566666667	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1266327"	279.159086	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"392194"	531.214358	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"753554"	777.339958	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1553420"	285.088758	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"312784"	266.110817	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"704113"	389.173617	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1456473"	143.048017	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"247627"	534.285026	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1220335"	288.159426	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1204219"	144.583351	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"198183"	537.22236	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"637743"	783.34796	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1135785"	291.09676	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"174700"	269.114818	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"616085"	392.177618	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1123600"	146.052018	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1411138"	97.7037706666667	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1441796"	293.138346	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"231489"	274.14784	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1517728"	307.19039	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"417415"	277.101788	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"782795"	400.164588	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1678397"	154.038988	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"261270"	556.266968	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1239446"	310.141368	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1726145"	310.164893	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1192592"	105.031084666667	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1656289"	315.120288	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"162785"	569.17024	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"604533"	815.29584	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1086126"	323.04464	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"141973"	285.088758	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"583235"	408.151558	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1068961"	162.025958	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1100350"	325.059192	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1335637"	325.146807	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1005911"	329.185976	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1529470"	330.179608	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"990161"	165.096626	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1595890"	331.094228	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1417178"	361.125738	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1152934"	185.609901	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1700297"	378.152285	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1637044"	383.10768	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1572694"	399.08162	"C09300"	"Aromaticin"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"815088"	248.1412	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M"	0
"978780"	229.12281	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"64834"	164.420190666667	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"514244"	247.133924	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"892045"	81.7064573333333	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"10619"	247.133924	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"452007"	371.204524	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"822518"	123.063324	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"81779"	495.275124	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"522435"	743.416324	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"899873"	247.133924	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"57164"	512.301671	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"497819"	760.442871	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"877081"	264.160471	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"44616"	517.257066	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"485270"	765.398266	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"863807"	269.115866	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1626411"	269.115866	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"98568"	265.122263	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"543594"	389.192863	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"933829"	141.051663	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"275665"	531.251802	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"665898"	779.393002	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1278300"	283.110602	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"21950"	533.231006	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"460417"	781.372206	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"841498"	285.089806	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1564985"	285.089806	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"950683"	293.139394	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"374004"	541.280601	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"356430"	555.296251	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1504169"	307.155051	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"971347"	315.121351	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"122805"	283.110602	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"562365"	407.181202	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1030799"	159.040002	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1251472"	327.060085	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1316112"	329.116072	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1333607"	351.098029	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"926126"	361.126786	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1302105"	397.103464	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1378077"	213.128524	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1389378"	231.1385	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"290157"	497.289676	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"683674"	745.430876	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1358197"	249.148476	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"129632"	249.148476	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"572476"	373.219076	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1040182"	125.077876	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"210272"	166.434742666667	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"645823"	249.148476	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1163585"	83.7210093333333	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"426856"	514.316223	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"788946"	762.457423	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1690743"	266.175023	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"336834"	257.6617495	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"734728"	381.7323495	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1487456"	133.5911495	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"405042"	519.271618	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"769441"	767.412818	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1614135"	271.130418	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"321988"	260.139447	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"715503"	384.210047	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1476129"	136.068847	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1067067"	91.0483233333333	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1269717"	281.174686	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"392182"	535.245558	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"753664"	783.386758	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1552437"	287.104358	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"308521"	268.126417	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"699849"	392.197017	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1455856"	144.055817	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"248103"	538.316226	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1217165"	290.175026	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1203234"	145.591151	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"199386"	541.25356	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"634573"	789.39476	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1135166"	293.11236	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"174444"	271.130418	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"617652"	395.201018	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1117024"	147.059818	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1409058"	98.3756373333333	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1442999"	295.153946	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"231963"	276.16344	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1517838"	309.20599	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"417525"	279.117388	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"781809"	403.187988	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1677048"	155.046788	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"263568"	560.298168	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1238100"	312.156968	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1722977"	312.180493	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1192702"	105.702951333333	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1656400"	317.135888	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"169456"	573.20144	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"601364"	821.34264	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1088060"	325.06024	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"142083"	287.104358	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"582493"	411.174958	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1069309"	163.033758	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1100337"	327.074792	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1336108"	327.162407	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1005980"	331.201576	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1529580"	332.195208	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"990679"	166.104426	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1594907"	333.109828	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1416195"	363.141338	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1151951"	186.617701	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1699678"	380.167885	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1637154"	385.12328	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1572075"	401.09722	"C09301"	"Artabsin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"814105"	278.1154	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M"	0
"978890"	259.09701	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-H2O-H"	-19.01839
"67131"	184.402990666667	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M-3H"	-3.021828
"514354"	277.108124	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M-3H"	-3.021828
"889969"	91.6978573333333	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-3H"	-3.021828
"10729"	277.108124	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M-2H"	-2.014552
"444821"	416.165824	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M-2H"	-2.014552
"825909"	138.050424	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-2H"	-2.014552
"81890"	555.223524	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M-H"	-1.007276
"529835"	833.338924	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M-H"	-1.007276
"905450"	277.108124	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-H"	-1.007276
"57638"	572.250071	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M-2H+NH4"	16.019271
"502512"	850.365471	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M-2H+NH4"	16.019271
"879138"	294.134671	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-2H+NH4"	16.019271
"44362"	577.205466	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M-2H+Na"	20.974666
"484286"	855.320866	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M-2H+Na"	20.974666
"863185"	299.090066	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-2H+Na"	20.974666
"1628709"	299.090066	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Na-2H"	20.974666
"101958"	295.096463	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M-H+Cl"	33.962126
"543704"	434.154163	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M-H+Cl"	33.962126
"938313"	156.038763	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-H+Cl"	33.962126
"279057"	591.200202	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+Cl"	34.969402
"672571"	869.315602	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+Cl"	34.969402
"1281694"	313.084802	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Cl"	34.969402
"23154"	593.179406	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M-2H+K"	36.948606
"462714"	871.294806	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M-2H+K"	36.948606
"840515"	315.064006	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-2H+K"	36.948606
"1562908"	315.064006	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+K-2H"	36.948606
"950793"	323.113594	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-H+HCOOH"	44.998194
"370102"	601.229001	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+HCOOH-H"	44.998201
"355811"	615.244651	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+Hac-H"	59.013851
"1503550"	337.129251	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Hac-H"	59.013851
"972915"	345.095551	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-H+NaCOOH"	66.980151
"122914"	313.084802	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+2Cl"	69.938804
"564664"	452.142502	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+2Cl"	69.938804
"1033461"	174.027102	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2Cl"	69.938804
"1248303"	357.034285	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Br"	78.918885
"1319142"	359.090272	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Cl+HCOOH"	80.974872
"1333717"	381.072229	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Cl+NaCOOH"	102.956829
"926238"	391.100986	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M-H+CF3COOH"	112.985586
"1303312"	427.077664	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Cl+CF3COOH"	148.962264
"1381840"	243.102724	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H-2H2O"	-35.012676
"1395684"	261.1127	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H-H2O"	-17.0027
"293548"	557.238076	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+H"	1.007276
"685970"	835.353476	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+H"	1.007276
"1361224"	279.122676	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H"	1.007276
"135209"	279.122676	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+2H"	2.014552
"573680"	418.180376	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+2H"	2.014552
"1042479"	140.064976	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2H"	2.014552
"209289"	186.417542666667	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+3H"	3.021828
"645933"	279.122676	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+3H"	3.021828
"1164789"	93.7124093333334	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+3H"	3.021828
"425873"	574.264623	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+NH4"	18.033823
"786870"	852.380023	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+NH4"	18.033823
"1687573"	296.149223	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+NH4"	18.033823
"335850"	287.6359495	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+H+NH4"	19.041099
"735928"	426.6936495	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+H+NH4"	19.041099
"1490846"	148.5782495	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H+NH4"	19.041099
"405152"	579.220018	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+Na"	22.989218
"769716"	857.335418	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+Na"	22.989218
"1615338"	301.104618	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Na"	22.989218
"329389"	290.113647	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+H+Na"	23.996494
"718893"	429.171347	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+H+Na"	23.996494
"1475995"	151.055947	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H+Na"	23.996494
"1067866"	101.039723333333	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2H+Na"	25.00377
"1269827"	311.148886	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+CH3OH+H"	33.033486
"385125"	595.193958	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+K"	38.963158
"748307"	873.309358	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+K"	38.963158
"1548174"	317.078558	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+K"	38.963158
"304256"	298.100617	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+H+K"	39.970434
"695583"	437.158317	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+H+K"	39.970434
"1448309"	159.042917	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H+K"	39.970434
"239098"	598.264626	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+ACN+H"	42.033826
"1215088"	320.149226	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+ACN+H"	42.033826
"1197877"	160.578251	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+ACN+2H"	43.041102
"197309"	601.20196	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+2Na-H"	44.97116
"633589"	879.31736	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+2Na-H"	44.97116
"1134912"	323.08656	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2Na-H"	44.97116
"174064"	301.104618	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+2Na"	45.978436
"617035"	440.162318	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+2Na"	45.978436
"1125644"	162.046918	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2Na"	45.978436
"1411356"	108.367037333333	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H+2Na"	46.985712
"1445556"	325.128146	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H+HCOOH"	47.012746
"229886"	306.13764	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+3H2O+2H"	56.04448
"1517948"	339.18019	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+IsoProp+H"	61.06479
"417635"	309.091588	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+Na+K"	61.952376
"784108"	448.149288	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+Na+K"	61.952376
"1680929"	170.033888	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Na+K"	61.952376
"265863"	620.246568	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+ACN+Na"	64.015768
"1237481"	342.131168	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+ACN+Na"	64.015768
"1726002"	342.154693	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+NH4+HCOOH"	64.039293
"1192449"	115.694351333333	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+3Na"	68.967654
"1659426"	347.110088	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Na+HCOOH"	68.994688
"168473"	633.14984	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+2K-H"	76.91904
"603661"	911.26524	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+2K-H"	76.91904
"1086350"	355.03444	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2K-H"	76.91904
"149363"	317.078558	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"2M+2K"	77.926316
"582968"	456.136258	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"3M+2K"	77.926316
"1069789"	178.020858	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2K"	77.926316
"1100566"	357.048992	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2K+H"	78.933592
"1336585"	357.136607	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+DMSO+H"	79.021207
"1006821"	361.175776	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2ACN+H"	83.060376
"1528597"	362.169408	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+IsoProp+Na+H"	84.054008
"991882"	181.091526	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+2ACN+2H"	84.067652
"1600120"	363.084028	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+K+HCOOH"	84.968628
"1416305"	393.115538	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+H+CF3COOH"	115.000138
"1152061"	201.604801	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+3ACN+2H"	125.094202
"1700881"	410.142085	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+NH4+CF3COOH"	132.026685
"1637264"	415.09748	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+Na+CF3COOH"	136.98208
"1572185"	431.07142	"C09302"	"Artecanin;Chrysartemin B"	"C15H18O5"	"278.1154"	"M+K+CF3COOH"	152.95602
"816647"	304.1311	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M"	0
"985560"	285.11271	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-H2O-H"	-19.01839
"72708"	201.746790666667	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M-3H"	-3.021828
"508989"	303.123824	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M-3H"	-3.021828
"892995"	100.369757333333	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-3H"	-3.021828
"11568"	303.123824	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M-2H"	-2.014552
"444931"	455.189374	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M-2H"	-2.014552
"826020"	151.058274	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-2H"	-2.014552
"82729"	607.254924	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M-H"	-1.007276
"523018"	911.386024	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M-H"	-1.007276
"903372"	303.123824	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-H"	-1.007276
"57020"	624.281471	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M-2H+NH4"	16.019271
"502175"	928.412571	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M-2H+NH4"	16.019271
"879290"	320.150371	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-2H+NH4"	16.019271
"46704"	629.236866	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M-2H+Na"	20.974666
"486219"	933.367966	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M-2H+Na"	20.974666
"863988"	325.105766	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-2H+Na"	20.974666
"1629913"	325.105766	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Na-2H"	20.974666
"103162"	321.112163	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M-H+Cl"	33.962126
"542722"	473.177713	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M-H+Cl"	33.962126
"937330"	169.046613	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-H+Cl"	33.962126
"276981"	643.231602	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+Cl"	34.969402
"672681"	947.362702	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+Cl"	34.969402
"1280711"	339.100502	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Cl"	34.969402
"19256"	645.210806	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M-2H+K"	36.948606
"461001"	949.341906	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M-2H+K"	36.948606
"838440"	341.079706	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-2H+K"	36.948606
"1560104"	341.079706	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+K-2H"	36.948606
"947624"	349.129294	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-H+HCOOH"	44.998194
"372036"	653.260401	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+HCOOH-H"	44.998201
"359567"	667.276051	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+Hac-H"	59.013851
"1507305"	363.144951	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Hac-H"	59.013851
"971931"	371.111251	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-H+NaCOOH"	66.980151
"123391"	339.100502	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+2Cl"	69.938804
"564775"	491.166052	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+2Cl"	69.938804
"1035032"	187.034952	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2Cl"	69.938804
"1250605"	383.049985	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Br"	78.918885
"1315240"	385.105972	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Cl+HCOOH"	80.974872
"1333706"	407.087929	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Cl+NaCOOH"	102.956829
"923797"	417.116686	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M-H+CF3COOH"	112.985586
"1302326"	453.093364	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Cl+CF3COOH"	148.962264
"1381581"	269.118424	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H-2H2O"	-35.012676
"1398228"	287.1284	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H-H2O"	-17.0027
"295845"	609.269476	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+H"	1.007276
"683893"	913.400576	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+H"	1.007276
"1361335"	305.138376	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H"	1.007276
"135319"	305.138376	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+2H"	2.014552
"572697"	457.203926	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+2H"	2.014552
"1041496"	153.072826	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2H"	2.014552
"208670"	203.761342666667	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+3H"	3.021828
"654425"	305.138376	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+3H"	3.021828
"1163803"	102.384309333333	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+3H"	3.021828
"428169"	626.296023	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+NH4"	18.033823
"788073"	930.427123	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+NH4"	18.033823
"1685496"	322.164923	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+NH4"	18.033823
"335960"	313.6516495	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+H+NH4"	19.041099
"733850"	465.7171995	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+H+NH4"	19.041099
"1483296"	161.5860995	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H+NH4"	19.041099
"404169"	631.251418	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+Na"	22.989218
"767351"	935.382518	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+Na"	22.989218
"1612168"	327.120318	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Na"	22.989218
"327675"	316.129347	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+H+Na"	23.996494
"719003"	468.194897	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+H+Na"	23.996494
"1473918"	164.063797	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H+Na"	23.996494
"1066071"	109.711623333333	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2H+Na"	25.00377
"1267751"	337.164586	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+CH3OH+H"	33.033486
"388515"	647.225358	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+K"	38.963158
"747325"	951.356458	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+K"	38.963158
"1547193"	343.094258	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+K"	38.963158
"304366"	324.116317	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+H+K"	39.970434
"694964"	476.181867	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+H+K"	39.970434
"1451700"	172.050767	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H+K"	39.970434
"241395"	650.296026	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+ACN+H"	42.033826
"1216293"	346.164926	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+ACN+H"	42.033826
"1197989"	173.586101	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+ACN+2H"	43.041102
"196326"	653.23336	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+2Na-H"	44.97116
"632606"	957.36446	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+2Na-H"	44.97116
"1134291"	349.10226	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2Na-H"	44.97116
"174663"	327.120318	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+2Na"	45.978436
"617507"	479.185868	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+2Na"	45.978436
"1121378"	175.054768	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2Na"	45.978436
"1405997"	117.038937333333	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H+2Na"	46.985712
"1442125"	351.143846	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H+HCOOH"	47.012746
"229996"	332.15334	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+3H2O+2H"	56.04448
"1515871"	365.19589	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+IsoProp+H"	61.06479
"421025"	335.107288	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+Na+K"	61.952376
"783125"	487.172838	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+Na+K"	61.952376
"1681244"	183.041738	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Na+K"	61.952376
"263786"	672.277968	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+ACN+Na"	64.015768
"1235404"	368.146868	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+ACN+Na"	64.015768
"1724289"	368.170393	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+NH4+HCOOH"	64.039293
"1192922"	124.366251333333	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+3Na"	68.967654
"1659536"	373.125788	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Na+HCOOH"	68.994688
"168583"	685.18124	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+2K-H"	76.91904
"602678"	989.31234	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+2K-H"	76.91904
"1087551"	381.05014	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2K-H"	76.91904
"145100"	343.094258	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"2M+2K"	77.926316
"584660"	495.159808	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"3M+2K"	77.926316
"1069780"	191.028708	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2K"	77.926316
"1102384"	383.064692	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2K+H"	78.933592
"1336332"	383.152307	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+DMSO+H"	79.021207
"1006568"	387.191476	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2ACN+H"	83.060376
"1529800"	388.185108	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+IsoProp+Na+H"	84.054008
"991141"	194.099376	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+2ACN+2H"	84.067652
"1600230"	389.099728	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+K+HCOOH"	84.968628
"1424071"	419.131238	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+H+CF3COOH"	115.000138
"1155452"	214.612651	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+3ACN+2H"	125.094202
"1703909"	436.157785	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+NH4+CF3COOH"	132.026685
"1638467"	441.11318	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+Na+CF3COOH"	136.98208
"1572295"	457.08712	"C09303"	"Arteglasin A"	"C17H20O5"	"304.1311"	"M+K+CF3COOH"	152.95602
"811045"	264.1362	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M"	0
"983483"	245.11781	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"70631"	175.083524	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"511286"	263.128924	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"892377"	87.038124	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"8763"	263.128924	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"449415"	395.197024	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"831842"	131.060824	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"85028"	527.265124	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"522400"	791.401324	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"906399"	263.128924	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"57130"	544.291671	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"499971"	808.427871	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"879236"	280.155471	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"45800"	549.247066	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"484872"	813.383266	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"862678"	285.110866	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1632211"	285.110866	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"104365"	281.117263	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"548299"	413.185363	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"935253"	149.049163	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"277089"	563.241802	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"672791"	827.378002	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1278634"	299.105602	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"20459"	565.221006	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"460017"	829.357206	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"837091"	301.084806	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1563127"	301.084806	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"946639"	309.134394	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"368135"	573.270601	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"355303"	587.286251	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1503041"	323.150051	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"971679"	331.116351	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"122771"	299.105602	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"564521"	431.173702	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1035143"	167.037502	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1251444"	343.055085	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1315350"	345.111072	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1333937"	367.093029	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"923907"	377.121786	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1301707"	413.098464	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1381936"	229.123524	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1397004"	247.1335	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"297048"	529.279676	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"684003"	793.415876	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1360352"	265.143476	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"138709"	265.143476	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"573901"	397.211576	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1044886"	133.075376	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"208779"	177.098076	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"653442"	265.143476	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1163184"	89.052676	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"427550"	546.306223	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"787818"	810.442423	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1683418"	282.170023	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"336070"	273.6567495	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"732867"	405.7248495	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1479031"	141.5886495	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"396618"	551.261618	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"756883"	815.397818	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1608997"	287.125418	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"327785"	276.134447	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"719843"	408.202547	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1474394"	144.066347	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1062899"	96.37999	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1268589"	297.169686	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"389353"	567.235558	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"749256"	831.371758	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1550583"	303.099358	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"304475"	284.121417	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"700178"	416.189517	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1451810"	152.053317	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"241505"	570.306226	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1215310"	306.170026	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1199192"	153.588651	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"194249"	573.24356	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"632716"	837.37976	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1134401"	309.10736	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"173679"	287.125418	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"613237"	419.193518	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1118934"	155.057318	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1401366"	103.707304	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1436037"	311.148946	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"226825"	292.15844	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1512701"	325.20099	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"417855"	295.112388	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"781048"	427.180488	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1677377"	163.044288	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"263534"	592.288168	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1237338"	328.151968	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1724400"	328.175493	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1192304"	111.034618	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1655271"	333.130888	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"164318"	605.19144	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"599869"	869.32764	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1090582"	341.05524	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"150314"	303.099358	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"583677"	435.167458	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1070378"	171.031258	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1102494"	343.069792	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1336445"	343.157407	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1006920"	347.196576	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1531003"	348.190208	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"991981"	174.101926	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1600340"	349.104828	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1427461"	379.136338	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1155562"	194.615201	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1704019"	396.162885	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1637484"	401.11828	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1571471"	417.09222	"C09304"	"Artemisiifolin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"814435"	186.0317	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M"	0
"986873"	167.01331	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-H2O-H"	-19.01839
"70741"	123.013857333333	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M-3H"	-3.021828
"513583"	185.024424	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M-3H"	-3.021828
"895125"	61.0032906666667	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-3H"	-3.021828
"12152"	185.024424	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M-2H"	-2.014552
"450618"	278.040274	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M-2H"	-2.014552
"832443"	92.008574	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-2H"	-2.014552
"91699"	371.056124	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M-H"	-1.007276
"533329"	557.087824	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M-H"	-1.007276
"907605"	185.024424	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-H"	-1.007276
"62109"	388.082671	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M-2H+NH4"	16.019271
"502394"	574.114371	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M-2H+NH4"	16.019271
"878984"	202.050971	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-2H+NH4"	16.019271
"46609"	393.038066	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M-2H+Na"	20.974666
"486449"	579.069766	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M-2H+Na"	20.974666
"863642"	207.006366	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-2H+Na"	20.974666
"1632322"	207.006366	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Na-2H"	20.974666
"108366"	203.012763	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M-H+Cl"	33.962126
"549507"	296.028613	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M-H+Cl"	33.962126
"942053"	109.996913	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-H+Cl"	33.962126
"279386"	407.032802	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+Cl"	34.969402
"672537"	593.064502	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+Cl"	34.969402
"1283119"	221.001102	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Cl"	34.969402
"24581"	409.012006	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M-2H+K"	36.948606
"464141"	595.043706	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M-2H+K"	36.948606
"835745"	222.980306	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-2H+K"	36.948606
"1565429"	222.980306	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+K-2H"	36.948606
"947116"	231.029894	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-H+HCOOH"	44.998194
"372621"	417.061601	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+HCOOH-H"	44.998201
"356872"	431.077251	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+Hac-H"	59.013851
"1507042"	245.045551	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Hac-H"	59.013851
"970694"	253.011851	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-H+NaCOOH"	66.980151
"125668"	221.001102	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+2Cl"	69.938804
"565120"	314.016952	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+2Cl"	69.938804
"1036713"	127.985252	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2Cl"	69.938804
"1255199"	264.950585	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Br"	78.918885
"1319473"	267.006572	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Cl+HCOOH"	80.974872
"1335400"	288.988529	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Cl+NaCOOH"	102.956829
"926941"	299.017286	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M-H+CF3COOH"	112.985586
"1304009"	334.993964	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Cl+CF3COOH"	148.962264
"1381678"	151.019024	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H-2H2O"	-35.012676
"1396380"	169.029	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H-H2O"	-17.0027
"294975"	373.070676	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+H"	1.007276
"685210"	559.102376	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+H"	1.007276
"1365691"	187.038976	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H"	1.007276
"136633"	187.038976	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+2H"	2.014552
"578385"	280.054826	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+2H"	2.014552
"1046090"	94.023126	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2H"	2.014552
"219381"	125.028409333333	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+3H"	3.021828
"653552"	187.038976	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+3H"	3.021828
"1167304"	63.0178426666667	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+3H"	3.021828
"426932"	390.097223	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+NH4"	18.033823
"788656"	576.128923	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+NH4"	18.033823
"1684623"	204.065523	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+NH4"	18.033823
"335088"	195.5522495	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+H+NH4"	19.041099
"729698"	288.5680995	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+H+NH4"	19.041099
"1477924"	102.5363995	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H+NH4"	19.041099
"398916"	395.052618	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+Na"	22.989218
"759911"	581.084318	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+Na"	22.989218
"1609107"	209.020918	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Na"	22.989218
"324615"	198.029947	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+H+Na"	23.996494
"720561"	291.045797	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+H+Na"	23.996494
"1475476"	105.014097	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H+Na"	23.996494
"1064834"	70.3451566666667	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2H+Na"	25.00377
"1270524"	219.065186	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+CH3OH+H"	33.033486
"390922"	411.026558	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+K"	38.963158
"751553"	597.058258	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+K"	38.963158
"1551421"	224.994858	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+K"	38.963158
"312609"	206.016917	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+H+K"	39.970434
"701384"	299.032767	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+H+K"	39.970434
"1455934"	113.001067	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H+K"	39.970434
"247812"	414.097226	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+ACN+H"	42.033826
"1222347"	228.065526	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+ACN+H"	42.033826
"1204771"	114.536401	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+ACN+2H"	43.041102
"199828"	417.03456	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+2Na-H"	44.97116
"638294"	603.06626	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+2Na-H"	44.97116
"1132688"	231.00286	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2Na-H"	44.97116
"175611"	209.020918	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+2Na"	45.978436
"617359"	302.036768	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+2Na"	45.978436
"1120499"	116.005068	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2Na"	45.978436
"1402935"	77.6724706666667	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H+2Na"	46.985712
"1436147"	233.044446	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H+HCOOH"	47.012746
"222925"	214.05394	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+3H2O+2H"	56.04448
"1513904"	247.09649	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+IsoProp+H"	61.06479
"416871"	217.007888	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+Na+K"	61.952376
"776784"	310.023738	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+Na+K"	61.952376
"1678219"	123.992038	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Na+K"	61.952376
"261456"	436.079168	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+ACN+Na"	64.015768
"1234167"	250.047468	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+ACN+Na"	64.015768
"1721233"	250.070993	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+NH4+HCOOH"	64.039293
"1189500"	84.9997846666667	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+3Na"	68.967654
"1657570"	255.026388	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Na+HCOOH"	68.994688
"166616"	448.98244	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+2K-H"	76.91904
"600343"	635.01414	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+2K-H"	76.91904
"1089598"	262.95074	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2K-H"	76.91904
"149693"	224.994858	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"2M+2K"	77.926316
"583786"	318.010708	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"3M+2K"	77.926316
"1069637"	131.979008	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2K"	77.926316
"1101511"	264.965292	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2K+H"	78.933592
"1337895"	265.052907	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+DMSO+H"	79.021207
"1011893"	269.092076	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2ACN+H"	83.060376
"1532936"	270.085708	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+IsoProp+Na+H"	84.054008
"993185"	135.049676	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+2ACN+2H"	84.067652
"1600815"	271.000328	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+K+HCOOH"	84.968628
"1427571"	301.031838	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+H+CF3COOH"	115.000138
"1160411"	155.562951	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+3ACN+2H"	125.094202
"1700849"	318.058385	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+NH4+CF3COOH"	132.026685
"1635770"	323.01378	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+Na+CF3COOH"	136.98208
"1571339"	338.98772	"C09305"	"Psoralen;Ficusin"	"C11H6O3"	"186.0317"	"M+K+CF3COOH"	152.95602
"812358"	63.9619	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M"	0
"979330"	44.94351	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-H2O-H"	-19.01839
"66477"	41.6339906666667	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M-3H"	-3.021828
"508226"	62.954624	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M-3H"	-3.021828
"895233"	20.3133573333333	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-3H"	-3.021828
"12262"	62.954624	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M-2H"	-2.014552
"445260"	94.935574	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M-2H"	-2.014552
"831706"	30.973674	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-2H"	-2.014552
"93838"	126.916524	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M-H"	-1.007276
"533320"	190.878424	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M-H"	-1.007276
"909905"	62.954624	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-H"	-1.007276
"61489"	143.943071	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M-2H+NH4"	16.019271
"501784"	207.904971	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M-2H+NH4"	16.019271
"878247"	79.981171	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-2H+NH4"	16.019271
"45906"	148.898466	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M-2H+Na"	20.974666
"485951"	212.860366	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M-2H+Na"	20.974666
"863510"	84.936566	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-2H+Na"	20.974666
"1632069"	84.936566	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Na-2H"	20.974666
"109088"	80.942963	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M-H+Cl"	33.962126
"548282"	112.923913	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M-H+Cl"	33.962126
"941191"	48.962013	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-H+Cl"	33.962126
"280835"	162.893202	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+Cl"	34.969402
"672647"	226.855102	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+Cl"	34.969402
"1283229"	98.931302	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Cl"	34.969402
"23598"	164.872406	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M-2H+K"	36.948606
"463157"	228.834306	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M-2H+K"	36.948606
"836586"	100.910506	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-2H+K"	36.948606
"1564446"	100.910506	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+K-2H"	36.948606
"946497"	108.960094	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-H+HCOOH"	44.998194
"372003"	172.922001	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+HCOOH-H"	44.998201
"356982"	186.937651	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+Hac-H"	59.013851
"1507636"	122.975751	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Hac-H"	59.013851
"970804"	130.942051	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-H+NaCOOH"	66.980151
"125060"	98.931302	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+2Cl"	69.938804
"565349"	130.912252	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+2Cl"	69.938804
"1035969"	66.950352	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2Cl"	69.938804
"1256852"	142.880785	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Br"	78.918885
"1319583"	144.936772	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Cl+HCOOH"	80.974872
"1335503"	166.918729	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Cl+NaCOOH"	102.956829
"927011"	176.947486	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M-H+CF3COOH"	112.985586
"1304000"	212.924164	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Cl+CF3COOH"	148.962264
"1381179"	28.949224	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H-2H2O"	-35.012676
"1395398"	46.9592	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H-H2O"	-17.0027
"295085"	128.931076	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+H"	1.007276
"685320"	192.892976	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+H"	1.007276
"1362763"	64.969176	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H"	1.007276
"134557"	64.969176	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+2H"	2.014552
"578495"	96.950126	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+2H"	2.014552
"1049480"	32.988226	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2H"	2.014552
"218114"	43.6485426666667	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+3H"	3.021828
"653662"	64.969176	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+3H"	3.021828
"1167414"	22.3279093333333	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+3H"	3.021828
"427406"	145.957623	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+NH4"	18.033823
"787792"	209.919523	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+NH4"	18.033823
"1685827"	81.995723	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+NH4"	18.033823
"335197"	73.4824495	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+H+NH4"	19.041099
"727619"	105.4633995	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+H+NH4"	19.041099
"1480343"	41.5014995	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H+NH4"	19.041099
"396837"	150.913018	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+Na"	22.989218
"757832"	214.874918	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+Na"	22.989218
"1609217"	86.951118	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Na"	22.989218
"324725"	75.960147	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+H+Na"	23.996494
"720427"	107.941097	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+H+Na"	23.996494
"1475343"	43.979197	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H+Na"	23.996494
"1064212"	29.6552233333333	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2H+Na"	25.00377
"1270269"	96.995386	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+CH3OH+H"	33.033486
"389939"	166.886958	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+K"	38.963158
"753121"	230.848858	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+K"	38.963158
"1553717"	102.925058	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+K"	38.963158
"312719"	83.947117	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+H+K"	39.970434
"703681"	115.928067	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+H+K"	39.970434
"1458595"	51.966167	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H+K"	39.970434
"247193"	169.957626	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+ACN+H"	42.033826
"1223186"	105.995726	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+ACN+H"	42.033826
"1204881"	53.501501	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+ACN+2H"	43.041102
"199938"	172.89496	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+2Na-H"	44.97116
"638404"	236.85686	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+2Na-H"	44.97116
"1133891"	108.93306	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2Na-H"	44.97116
"174993"	86.951118	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+2Na"	45.978436
"617469"	118.932068	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+2Na"	45.978436
"1120609"	54.970168	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2Na"	45.978436
"1404133"	36.9825373333333	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H+2Na"	46.985712
"1430900"	110.974646	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H+HCOOH"	47.012746
"222670"	91.98414	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+3H2O+2H"	56.04448
"1512921"	125.02669	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+IsoProp+H"	61.06479
"415888"	94.938088	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+Na+K"	61.952376
"781267"	126.919038	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+Na+K"	61.952376
"1679423"	62.957138	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Na+K"	61.952376
"261933"	191.939568	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+ACN+Na"	64.015768
"1234279"	127.977668	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+ACN+Na"	64.015768
"1722071"	128.001193	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+NH4+HCOOH"	64.039293
"1189977"	44.3098513333333	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+3Na"	68.967654
"1658773"	132.956588	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Na+HCOOH"	68.994688
"166726"	204.84284	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+2K-H"	76.91904
"605192"	268.80474	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+2K-H"	76.91904
"1090802"	140.88094	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2K-H"	76.91904
"149803"	102.925058	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"2M+2K"	77.926316
"583896"	134.906008	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"3M+2K"	77.926316
"1076066"	70.944108	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2K"	77.926316
"1104901"	142.895492	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2K+H"	78.933592
"1341285"	142.983107	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+DMSO+H"	79.021207
"1006778"	147.022276	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2ACN+H"	83.060376
"1531223"	148.015908	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+IsoProp+Na+H"	84.054008
"991229"	74.014776	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+2ACN+2H"	84.067652
"1599102"	148.930528	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+K+HCOOH"	84.968628
"1428047"	178.962038	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+H+CF3COOH"	115.000138
"1161250"	94.528051	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+3ACN+2H"	125.094202
"1702052"	195.988585	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+NH4+CF3COOH"	132.026685
"1635880"	200.94398	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+Na+CF3COOH"	136.98208
"1571652"	216.91792	"C09306"	"Sulfur dioxide"	"SO2"	"63.9619"	"M+K+CF3COOH"	152.95602
"801894"	386.1366	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M"	0
"974697"	367.11821	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-H2O-H"	-19.01839
"63045"	256.417124	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M-3H"	-3.021828
"504322"	385.129324	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M-3H"	-3.021828
"886139"	127.704924	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-3H"	-3.021828
"10183"	385.129324	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M-2H"	-2.014552
"445369"	578.197624	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M-2H"	-2.014552
"832170"	192.061024	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-2H"	-2.014552
"91919"	771.265924	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M-H"	-1.007276
"532573"	1157.402524	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M-H"	-1.007276
"908917"	385.129324	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-H"	-1.007276
"60377"	788.292471	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M-2H+NH4"	16.019271
"502249"	1174.429071	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M-2H+NH4"	16.019271
"879332"	402.155871	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-2H+NH4"	16.019271
"46379"	793.247866	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M-2H+Na"	20.974666
"486051"	1179.384466	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M-2H+Na"	20.974666
"863978"	407.111266	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-2H+Na"	20.974666
"1633277"	407.111266	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Na-2H"	20.974666
"109400"	403.117663	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M-H+Cl"	33.962126
"549156"	596.185963	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M-H+Cl"	33.962126
"942029"	210.049363	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-H+Cl"	33.962126
"282528"	807.242602	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+Cl"	34.969402
"675187"	1193.379202	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+Cl"	34.969402
"1284430"	421.106002	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Cl"	34.969402
"23703"	809.221806	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M-2H+K"	36.948606
"459256"	1195.358406	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M-2H+K"	36.948606
"839972"	423.085206	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-2H+K"	36.948606
"1560180"	423.085206	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+K-2H"	36.948606
"945876"	431.134794	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-H+HCOOH"	44.998194
"367371"	817.271401	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+HCOOH-H"	44.998201
"356359"	831.287051	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+Hac-H"	59.013851
"1505194"	445.150451	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Hac-H"	59.013851
"967628"	453.116751	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-H+NaCOOH"	66.980151
"121641"	421.106002	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+2Cl"	69.938804
"561197"	614.174302	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+2Cl"	69.938804
"1035103"	228.037702	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2Cl"	69.938804
"1244477"	465.055485	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Br"	78.918885
"1315675"	467.111472	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Cl+HCOOH"	80.974872
"1331351"	489.093429	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Cl+NaCOOH"	102.956829
"926547"	499.122186	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M-H+CF3COOH"	112.985586
"1302765"	535.098864	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Cl+CF3COOH"	148.962264
"1381412"	351.123924	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H-2H2O"	-35.012676
"1397818"	369.1339	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H-H2O"	-17.0027
"297626"	773.280476	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+H"	1.007276
"689437"	1159.417076	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+H"	1.007276
"1364691"	387.143876	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H"	1.007276
"133572"	387.143876	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+2H"	2.014552
"567303"	580.212176	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+2H"	2.014552
"1052387"	194.075576	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2H"	2.014552
"214213"	258.431676	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+3H"	3.021828
"651585"	387.143876	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+3H"	3.021828
"1165700"	129.719476	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+3H"	3.021828
"432982"	790.307023	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+NH4"	18.033823
"789604"	1176.443623	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+NH4"	18.033823
"1683016"	404.170423	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+NH4"	18.033823
"330321"	395.6571495	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+H+NH4"	19.041099
"722938"	588.7254495	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+H+NH4"	19.041099
"1477037"	202.5888495	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H+NH4"	19.041099
"393422"	795.262418	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+Na"	22.989218
"754902"	1181.399018	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+Na"	22.989218
"1602741"	409.125818	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Na"	22.989218
"321552"	398.134847	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+H+Na"	23.996494
"721630"	591.203147	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+H+Na"	23.996494
"1474360"	205.066547	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H+Na"	23.996494
"1063232"	137.04679	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2H+Na"	25.00377
"1271109"	419.170086	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+CH3OH+H"	33.033486
"392117"	811.236358	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+K"	38.963158
"753597"	1197.372958	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+K"	38.963158
"1554921"	425.099758	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+K"	38.963158
"312829"	406.121817	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+H+K"	39.970434
"706628"	599.190117	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+H+K"	39.970434
"1457610"	213.053517	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H+K"	39.970434
"247303"	814.307026	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+ACN+H"	42.033826
"1223296"	428.170426	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+ACN+H"	42.033826
"1206084"	214.588851	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+ACN+2H"	43.041102
"199682"	817.24436	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+2Na-H"	44.97116
"638513"	1203.38096	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+2Na-H"	44.97116
"1132541"	431.10776	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2Na-H"	44.97116
"176926"	409.125818	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+2Na"	45.978436
"617579"	602.194118	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+2Na"	45.978436
"1118533"	216.057518	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2Na"	45.978436
"1404243"	144.374104	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H+2Na"	46.985712
"1431013"	433.149346	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H+HCOOH"	47.012746
"224602"	414.15884	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+3H2O+2H"	56.04448
"1513031"	447.20139	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+IsoProp+H"	61.06479
"412718"	417.112788	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+Na+K"	61.952376
"783203"	610.181088	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+Na+K"	61.952376
"1679901"	224.044488	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Na+K"	61.952376
"263134"	836.288968	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+ACN+Na"	64.015768
"1236576"	450.152368	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+ACN+Na"	64.015768
"1724733"	450.175893	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+NH4+HCOOH"	64.039293
"1192635"	151.701418	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+3Na"	68.967654
"1657789"	455.131288	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Na+HCOOH"	68.994688
"169023"	849.19224	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+2K-H"	76.91904
"608948"	1235.32884	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+2K-H"	76.91904
"1092001"	463.05564	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2K-H"	76.91904
"149913"	425.099758	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"2M+2K"	77.926316
"584370"	618.168058	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"3M+2K"	77.926316
"1076176"	232.031458	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2K"	77.926316
"1110114"	465.070192	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2K+H"	78.933592
"1343582"	465.157807	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+DMSO+H"	79.021207
"1012113"	469.196976	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2ACN+H"	83.060376
"1534613"	470.190608	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+IsoProp+Na+H"	84.054008
"991582"	235.102126	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+2ACN+2H"	84.067652
"1601035"	471.105228	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+K+HCOOH"	84.968628
"1428524"	501.136738	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+H+CF3COOH"	115.000138
"1162455"	255.615401	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+3ACN+2H"	125.094202
"1708724"	518.163285	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+NH4+CF3COOH"	132.026685
"1638907"	523.11868	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+Na+CF3COOH"	136.98208
"1572734"	539.09262	"C09307"	"Pteryxin"	"C21H22O7"	"386.1366"	"M+K+CF3COOH"	152.95602
"806015"	356.1624	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M"	0
"978453"	337.14401	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-H2O-H"	-19.01839
"63131"	236.434324	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M-3H"	-3.021828
"505163"	355.155124	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M-3H"	-3.021828
"881874"	117.713524	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-3H"	-3.021828
"8106"	355.155124	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M-2H"	-2.014552
"442199"	533.236324	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M-2H"	-2.014552
"832402"	177.073924	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-2H"	-2.014552
"92029"	711.317524	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M-H"	-1.007276
"529403"	1067.479924	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M-H"	-1.007276
"910973"	355.155124	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-H"	-1.007276
"61580"	728.344071	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M-2H+NH4"	16.019271
"502243"	1084.506471	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M-2H+NH4"	16.019271
"879802"	372.181671	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-2H+NH4"	16.019271
"45871"	733.299466	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M-2H+Na"	20.974666
"486526"	1089.461866	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M-2H+Na"	20.974666
"864143"	377.137066	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-2H+Na"	20.974666
"1632653"	377.137066	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Na-2H"	20.974666
"109062"	373.143463	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M-H+Cl"	33.962126
"549588"	551.224663	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M-H+Cl"	33.962126
"942137"	195.062263	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-H+Cl"	33.962126
"281174"	747.294202	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+Cl"	34.969402
"673229"	1103.456602	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+Cl"	34.969402
"1282352"	391.131802	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Cl"	34.969402
"21626"	749.273406	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M-2H+K"	36.948606
"463375"	1105.435806	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M-2H+K"	36.948606
"838988"	393.111006	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-2H+K"	36.948606
"1560289"	393.111006	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+K-2H"	36.948606
"945257"	401.160594	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-H+HCOOH"	44.998194
"367481"	757.323001	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+HCOOH-H"	44.998201
"356833"	771.338651	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+Hac-H"	59.013851
"1505304"	415.176251	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Hac-H"	59.013851
"969925"	423.142551	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-H+NaCOOH"	66.980151
"122842"	391.131802	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+2Cl"	69.938804
"561307"	569.213002	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+2Cl"	69.938804
"1035577"	213.050602	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2Cl"	69.938804
"1245311"	435.081285	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Br"	78.918885
"1313598"	437.137272	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Cl+HCOOH"	80.974872
"1333283"	459.119229	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Cl+NaCOOH"	102.956829
"926819"	469.147986	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M-H+CF3COOH"	112.985586
"1301782"	505.124664	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Cl+CF3COOH"	148.962264
"1379212"	321.149724	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H-2H2O"	-35.012676
"1397564"	339.1597	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H-H2O"	-17.0027
"296397"	713.332076	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+H"	1.007276
"690520"	1069.494476	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+H"	1.007276
"1363707"	357.169676	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H"	1.007276
"133682"	357.169676	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+2H"	2.014552
"567778"	535.250876	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+2H"	2.014552
"1051403"	179.088476	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2H"	2.014552
"213231"	238.448876	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+3H"	3.021828
"652789"	357.169676	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+3H"	3.021828
"1167633"	119.728076	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+3H"	3.021828
"431999"	730.358623	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+NH4"	18.033823
"788985"	1086.521023	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+NH4"	18.033823
"1684584"	374.196223	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+NH4"	18.033823
"330349"	365.6829495	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+H+NH4"	19.041099
"724191"	543.7641495	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+H+NH4"	19.041099
"1477889"	187.6017495	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H+NH4"	19.041099
"393532"	735.314018	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+Na"	22.989218
"755133"	1091.476418	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+Na"	22.989218
"1603184"	379.151618	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Na"	22.989218
"317281"	368.160647	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+H+Na"	23.996494
"707223"	546.241847	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+H+Na"	23.996494
"1475199"	190.079447	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H+Na"	23.996494
"1063339"	127.05539	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2H+Na"	25.00377
"1271218"	389.195886	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+CH3OH+H"	33.033486
"390525"	751.287958	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+K"	38.963158
"753343"	1107.450358	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+K"	38.963158
"1555031"	395.125558	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+K"	38.963158
"313546"	376.147617	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+H+K"	39.970434
"705725"	554.228817	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+H+K"	39.970434
"1459178"	198.066417	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H+K"	39.970434
"247413"	754.358626	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+ACN+H"	42.033826
"1223041"	398.196226	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+ACN+H"	42.033826
"1207287"	199.601751	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+ACN+2H"	43.041102
"199063"	757.29596	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+2Na-H"	44.97116
"638623"	1113.45836	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+2Na-H"	44.97116
"1132287"	401.13356	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2Na-H"	44.97116
"174849"	379.151618	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+2Na"	45.978436
"617325"	557.232818	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+2Na"	45.978436
"1118643"	201.070418	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2Na"	45.978436
"1403989"	134.382704	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H+2Na"	46.985712
"1433189"	403.175146	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H+HCOOH"	47.012746
"226171"	384.18464	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+3H2O+2H"	56.04448
"1513141"	417.22719	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+IsoProp+H"	61.06479
"416108"	387.138588	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+Na+K"	61.952376
"784042"	565.219788	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+Na+K"	61.952376
"1680373"	209.057388	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Na+K"	61.952376
"261058"	776.340568	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+ACN+Na"	64.015768
"1238872"	420.178168	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+ACN+Na"	64.015768
"1725206"	420.201693	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+NH4+HCOOH"	64.039293
"1191649"	141.710018	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+3Na"	68.967654
"1658993"	425.157088	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Na+HCOOH"	68.994688
"168769"	789.24384	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+2K-H"	76.91904
"608694"	1145.40624	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+2K-H"	76.91904
"1090288"	433.08144	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2K-H"	76.91904
"150023"	395.125558	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"2M+2K"	77.926316
"584116"	573.206758	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"3M+2K"	77.926316
"1080296"	217.044358	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2K"	77.926316
"1111318"	435.095992	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2K+H"	78.933592
"1346244"	435.183607	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+DMSO+H"	79.021207
"1011130"	439.222776	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2ACN+H"	83.060376
"1530350"	440.216408	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+IsoProp+Na+H"	84.054008
"993515"	220.115026	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+2ACN+2H"	84.067652
"1598957"	441.131028	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+K+HCOOH"	84.968628
"1428632"	471.162538	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+H+CF3COOH"	115.000138
"1162526"	240.628301	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+3ACN+2H"	125.094202
"1708834"	488.189085	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+NH4+CF3COOH"	132.026685
"1639017"	493.14448	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+Na+CF3COOH"	136.98208
"1572115"	509.11842	"C09308"	"Rutamarin"	"C21H24O5"	"356.1624"	"M+K+CF3COOH"	152.95602
"802845"	424.1369	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M"	0
"974671"	405.11851	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-H2O-H"	-19.01839
"63643"	281.750657333333	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M-3H"	-3.021828
"503488"	423.129624	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M-3H"	-3.021828
"881256"	140.371690666667	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-3H"	-3.021828
"7123"	423.129624	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M-2H"	-2.014552
"440728"	635.198074	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M-2H"	-2.014552
"832397"	211.061174	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-2H"	-2.014552
"93725"	847.266524	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M-H"	-1.007276
"533289"	1271.403424	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M-H"	-1.007276
"910724"	423.129624	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-H"	-1.007276
"61334"	864.293071	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M-2H+NH4"	16.019271
"502771"	1288.429971	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M-2H+NH4"	16.019271
"879304"	440.156171	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-2H+NH4"	16.019271
"45617"	869.248466	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M-2H+Na"	20.974666
"486156"	1293.385366	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M-2H+Na"	20.974666
"862987"	445.111566	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-2H+Na"	20.974666
"1633737"	445.111566	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Na-2H"	20.974666
"109290"	441.117963	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M-H+Cl"	33.962126
"549097"	653.186413	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M-H+Cl"	33.962126
"941271"	229.049513	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-H+Cl"	33.962126
"278732"	883.243202	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+Cl"	34.969402
"670059"	1307.380102	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+Cl"	34.969402
"1282462"	459.106302	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Cl"	34.969402
"22831"	885.222406	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M-2H+K"	36.948606
"459111"	1309.359306	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M-2H+K"	36.948606
"838005"	461.085506	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-2H+K"	36.948606
"1558210"	461.085506	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+K-2H"	36.948606
"947189"	469.135094	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-H+HCOOH"	44.998194
"367592"	893.272001	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+HCOOH-H"	44.998201
"355849"	907.287651	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+Hac-H"	59.013851
"1505413"	483.150751	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Hac-H"	59.013851
"971495"	491.117051	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-H+NaCOOH"	66.980151
"121126"	459.106302	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+2Cl"	69.938804
"563973"	671.174752	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+2Cl"	69.938804
"1034957"	247.037852	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2Cl"	69.938804
"1244329"	503.055785	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Br"	78.918885
"1305323"	505.111772	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Cl+HCOOH"	80.974872
"1327925"	527.093729	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Cl+NaCOOH"	102.956829
"922266"	537.122486	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M-H+CF3COOH"	112.985586
"1301892"	573.099164	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Cl+CF3COOH"	148.962264
"1377135"	389.124224	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H-2H2O"	-35.012676
"1397429"	407.1342	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H-H2O"	-17.0027
"296141"	849.281076	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+H"	1.007276
"687834"	1273.417976	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+H"	1.007276
"1360901"	425.144176	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H"	1.007276
"133793"	425.144176	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+2H"	2.014552
"567159"	637.212626	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+2H"	2.014552
"1046530"	213.075726	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2H"	2.014552
"215526"	283.765209333333	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+3H"	3.021828
"653992"	425.144176	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+3H"	3.021828
"1171023"	142.386242666667	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+3H"	3.021828
"433202"	866.307623	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+NH4"	18.033823
"793104"	1290.444523	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+NH4"	18.033823
"1685424"	442.170723	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+NH4"	18.033823
"333703"	433.6574495	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+H+NH4"	19.041099
"727948"	645.7258995	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+H+NH4"	19.041099
"1480673"	221.5889995	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H+NH4"	19.041099
"393519"	871.263018	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+Na"	22.989218
"760715"	1295.399918	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+Na"	22.989218
"1603219"	447.126118	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Na"	22.989218
"317391"	436.135147	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+H+Na"	23.996494
"707862"	648.203597	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+H+Na"	23.996494
"1474217"	224.066697	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H+Na"	23.996494
"1065636"	149.713556666667	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2H+Na"	25.00377
"1269501"	457.170386	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+CH3OH+H"	33.033486
"391358"	887.236958	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+K"	38.963158
"749805"	1311.373858	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+K"	38.963158
"1552954"	463.100058	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+K"	38.963158
"313901"	444.122117	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+H+K"	39.970434
"705471"	656.190567	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+H+K"	39.970434
"1458802"	232.053667	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H+K"	39.970434
"248616"	890.307626	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+ACN+H"	42.033826
"1222421"	466.170726	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+ACN+H"	42.033826
"1207033"	233.589001	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+ACN+2H"	43.041102
"199177"	893.24496	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+2Na-H"	44.97116
"637643"	1317.38186	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+2Na-H"	44.97116
"1134221"	469.10806	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2Na-H"	44.97116
"174959"	447.126118	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+2Na"	45.978436
"618528"	659.194568	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+2Na"	45.978436
"1120212"	235.057668	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2Na"	45.978436
"1404464"	157.040870666667	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H+2Na"	46.985712
"1434028"	471.149646	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H+HCOOH"	47.012746
"225187"	452.15914	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+3H2O+2H"	56.04448
"1510207"	485.20169	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+IsoProp+H"	61.06479
"413302"	455.113088	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+Na+K"	61.952376
"784637"	667.181538	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+Na+K"	61.952376
"1677567"	243.044638	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Na+K"	61.952376
"261168"	912.289568	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+ACN+Na"	64.015768
"1235337"	488.152668	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+ACN+Na"	64.015768
"1722034"	488.176193	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+NH4+HCOOH"	64.039293
"1188847"	164.368184666667	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+3Na"	68.967654
"1656917"	493.131588	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Na+HCOOH"	68.994688
"167787"	925.19284	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+2K-H"	76.91904
"604065"	1349.32974	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+2K-H"	76.91904
"1088939"	501.05594	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2K-H"	76.91904
"150133"	463.100058	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"2M+2K"	77.926316
"584226"	675.168508	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"3M+2K"	77.926316
"1070923"	251.031608	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2K"	77.926316
"1100852"	503.070492	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2K+H"	78.933592
"1336261"	503.158107	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+DMSO+H"	79.021207
"1007956"	507.197276	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2ACN+H"	83.060376
"1526084"	508.190908	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+IsoProp+Na+H"	84.054008
"992896"	254.102276	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+2ACN+2H"	84.067652
"1599067"	509.105528	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+K+HCOOH"	84.968628
"1428742"	539.137038	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+H+CF3COOH"	115.000138
"1162312"	274.615551	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+3ACN+2H"	125.094202
"1708944"	556.163585	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+NH4+CF3COOH"	132.026685
"1639127"	561.11898	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+Na+CF3COOH"	136.98208
"1572955"	577.09292	"C09309"	"Rutarin"	"C20H24O10"	"424.1369"	"M+K+CF3COOH"	152.95602
"804048"	386.1366	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M"	0
"974554"	367.11821	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-H2O-H"	-19.01839
"63146"	256.417124	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M-3H"	-3.021828
"503072"	385.129324	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M-3H"	-3.021828
"883187"	127.704924	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-3H"	-3.021828
"1762"	385.129324	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M-2H"	-2.014552
"441687"	578.197624	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M-2H"	-2.014552
"831287"	192.061024	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-2H"	-2.014552
"93585"	771.265924	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M-H"	-1.007276
"533642"	1157.402524	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M-H"	-1.007276
"910920"	385.129324	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-H"	-1.007276
"62745"	788.292471	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M-2H+NH4"	16.019271
"502671"	1174.429071	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M-2H+NH4"	16.019271
"879414"	402.155871	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-2H+NH4"	16.019271
"46455"	793.247866	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M-2H+Na"	20.974666
"485779"	1179.384466	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M-2H+Na"	20.974666
"863340"	407.111266	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-2H+Na"	20.974666
"1633606"	407.111266	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Na-2H"	20.974666
"109038"	403.117663	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M-H+Cl"	33.962126
"549414"	596.185963	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M-H+Cl"	33.962126
"941625"	210.049363	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-H+Cl"	33.962126
"278842"	807.242602	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+Cl"	34.969402
"670169"	1193.379202	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+Cl"	34.969402
"1280385"	421.106002	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Cl"	34.969402
"19661"	809.221806	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M-2H+K"	36.948606
"462500"	1195.358406	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M-2H+K"	36.948606
"838115"	423.085206	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-2H+K"	36.948606
"1559414"	423.085206	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+K-2H"	36.948606
"950577"	431.134794	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-H+HCOOH"	44.998194
"368794"	817.271401	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+HCOOH-H"	44.998201
"357052"	831.287051	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+Hac-H"	59.013851
"1503698"	445.150451	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Hac-H"	59.013851
"971603"	453.116751	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-H+NaCOOH"	66.980151
"121237"	421.106002	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+2Cl"	69.938804
"564812"	614.174302	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+2Cl"	69.938804
"1033243"	228.037702	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2Cl"	69.938804
"1250269"	465.055485	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Br"	78.918885
"1305069"	467.111472	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Cl+HCOOH"	80.974872
"1328035"	489.093429	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Cl+NaCOOH"	102.956829
"922376"	499.122186	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M-H+CF3COOH"	112.985586
"1299085"	535.098864	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Cl+CF3COOH"	148.962264
"1376152"	351.123924	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H-2H2O"	-35.012676
"1390367"	369.1339	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H-H2O"	-17.0027
"294429"	773.280476	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+H"	1.007276
"681382"	1159.417076	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+H"	1.007276
"1357730"	387.143876	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H"	1.007276
"133899"	387.143876	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+2H"	2.014552
"567998"	580.212176	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+2H"	2.014552
"1046640"	194.075576	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2H"	2.014552
"213450"	258.431676	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+3H"	3.021828
"656288"	387.143876	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+3H"	3.021828
"1172226"	129.719476	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+3H"	3.021828
"434405"	790.307023	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+NH4"	18.033823
"794308"	1176.443623	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+NH4"	18.033823
"1690637"	404.170423	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+NH4"	18.033823
"334177"	395.6571495	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+H+NH4"	19.041099
"728058"	588.7254495	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+H+NH4"	19.041099
"1481512"	202.5888495	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H+NH4"	19.041099
"394724"	795.262418	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+Na"	22.989218
"761554"	1181.399018	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+Na"	22.989218
"1604180"	409.125818	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Na"	22.989218
"316773"	398.134847	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+H+Na"	23.996494
"708215"	591.203147	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+H+Na"	23.996494
"1476271"	205.066547	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H+Na"	23.996494
"1065746"	137.04679	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2H+Na"	25.00377
"1269611"	419.170086	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+CH3OH+H"	33.033486
"392442"	811.236358	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+K"	38.963158
"752466"	1197.372958	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+K"	38.963158
"1553066"	425.099758	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+K"	38.963158
"312433"	406.121817	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+H+K"	39.970434
"705220"	599.190117	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+H+K"	39.970434
"1459764"	213.053517	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H+K"	39.970434
"249821"	814.307026	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+ACN+H"	42.033826
"1222166"	428.170426	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+ACN+H"	42.033826
"1207145"	214.588851	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+ACN+2H"	43.041102
"198193"	817.24436	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+2Na-H"	44.97116
"640669"	1203.38096	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+2Na-H"	44.97116
"1133238"	431.10776	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2Na-H"	44.97116
"177256"	409.125818	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+2Na"	45.978436
"618638"	602.194118	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+2Na"	45.978436
"1119958"	216.057518	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2Na"	45.978436
"1403846"	144.374104	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H+2Na"	46.985712
"1431951"	433.149346	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H+HCOOH"	47.012746
"226390"	414.15884	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+3H2O+2H"	56.04448
"1509832"	447.20139	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+IsoProp+H"	61.06479
"414140"	417.112788	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+Na+K"	61.952376
"783653"	610.181088	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+Na+K"	61.952376
"1679376"	224.044488	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Na+K"	61.952376
"263465"	836.288968	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+ACN+Na"	64.015768
"1235082"	450.152368	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+ACN+Na"	64.015768
"1722872"	450.175893	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+NH4+HCOOH"	64.039293
"1190047"	151.701418	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+3Na"	68.967654
"1662858"	455.131288	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Na+HCOOH"	68.994688
"167166"	849.19224	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+2K-H"	76.91904
"604175"	1235.32884	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+2K-H"	76.91904
"1087227"	463.05564	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2K-H"	76.91904
"149879"	425.099758	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"2M+2K"	77.926316
"584336"	618.168058	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"3M+2K"	77.926316
"1069696"	232.031458	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2K"	77.926316
"1101083"	465.070192	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2K+H"	78.933592
"1335799"	465.157807	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+DMSO+H"	79.021207
"1008066"	469.196976	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2ACN+H"	83.060376
"1527287"	470.190608	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+IsoProp+Na+H"	84.054008
"993005"	235.102126	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+2ACN+2H"	84.067652
"1600270"	471.105228	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+K+HCOOH"	84.968628
"1429217"	501.136738	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+H+CF3COOH"	115.000138
"1161936"	255.615401	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+3ACN+2H"	125.094202
"1710147"	518.163285	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+NH4+CF3COOH"	132.026685
"1644705"	523.11868	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+Na+CF3COOH"	136.98208
"1572701"	539.09262	"C09310"	"Samidin"	"C21H22O7"	"386.1366"	"M+K+CF3COOH"	152.95602
"801970"	206.0579	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M"	0
"974338"	187.03951	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-H2O-H"	-19.01839
"63135"	136.364657333333	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M-3H"	-3.021828
"503183"	205.050624	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M-3H"	-3.021828
"883298"	67.6786906666667	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-3H"	-3.021828
"415"	205.050624	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M-2H"	-2.014552
"441797"	308.079574	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M-2H"	-2.014552
"832616"	102.021674	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-2H"	-2.014552
"93329"	411.108524	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M-H"	-1.007276
"533267"	617.166424	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M-H"	-1.007276
"910586"	205.050624	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-H"	-1.007276
"62531"	428.135071	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M-2H+NH4"	16.019271
"502217"	634.192971	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M-2H+NH4"	16.019271
"879484"	222.077171	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-2H+NH4"	16.019271
"45957"	433.090466	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M-2H+Na"	20.974666
"486616"	639.148366	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M-2H+Na"	20.974666
"863814"	227.032566	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-2H+Na"	20.974666
"1632016"	227.032566	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Na-2H"	20.974666
"108410"	223.038963	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M-H+Cl"	33.962126
"548589"	326.067913	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M-H+Cl"	33.962126
"942300"	120.010013	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-H+Cl"	33.962126
"279924"	447.085202	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+Cl"	34.969402
"667000"	653.143102	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+Cl"	34.969402
"1280494"	241.027302	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Cl"	34.969402
"18310"	449.064406	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M-2H+K"	36.948606
"457871"	655.122306	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M-2H+K"	36.948606
"834938"	243.006506	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-2H+K"	36.948606
"1560249"	243.006506	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+K-2H"	36.948606
"946313"	251.056094	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-H+HCOOH"	44.998194
"363071"	457.114001	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+HCOOH-H"	44.998201
"356068"	471.129651	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+Hac-H"	59.013851
"1501621"	265.071751	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Hac-H"	59.013851
"970257"	273.038051	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-H+NaCOOH"	66.980151
"123539"	241.027302	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+2Cl"	69.938804
"563100"	344.056252	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+2Cl"	69.938804
"1034811"	137.998352	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2Cl"	69.938804
"1244916"	284.976785	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Br"	78.918885
"1304936"	287.032772	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Cl+HCOOH"	80.974872
"1325959"	309.014729	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Cl+NaCOOH"	102.956829
"922486"	319.043486	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M-H+CF3COOH"	112.985586
"1297008"	355.020164	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Cl+CF3COOH"	148.962264
"1374075"	171.045224	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H-2H2O"	-35.012676
"1390477"	189.0552	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H-H2O"	-17.0027
"295632"	413.123076	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+H"	1.007276
"684772"	619.180976	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+H"	1.007276
"1361120"	207.065176	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H"	1.007276
"135105"	207.065176	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+2H"	2.014552
"568108"	310.094126	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+2H"	2.014552
"1044563"	104.036226	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2H"	2.014552
"213559"	138.379209333333	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+3H"	3.021828
"653118"	207.065176	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+3H"	3.021828
"1169057"	69.6932426666667	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+3H"	3.021828
"429049"	430.149623	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+NH4"	18.033823
"787857"	636.207523	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+NH4"	18.033823
"1682730"	224.091723	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+NH4"	18.033823
"331008"	215.5784495	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+H+NH4"	19.041099
"724159"	318.6073995	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+H+NH4"	19.041099
"1480528"	112.5494995	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H+NH4"	19.041099
"394469"	435.105018	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+Na"	22.989218
"755463"	641.162918	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+Na"	22.989218
"1605749"	229.047118	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Na"	22.989218
"317612"	218.056147	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+H+Na"	23.996494
"708937"	321.085097	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+H+Na"	23.996494
"1476503"	115.027197	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H+Na"	23.996494
"1064763"	77.0205566666667	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2H+Na"	25.00377
"1269721"	239.091386	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+CH3OH+H"	33.033486
"391214"	451.078958	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+K"	38.963158
"751847"	657.136858	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+K"	38.963158
"1553535"	245.021058	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+K"	38.963158
"313514"	226.043117	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+H+K"	39.970434
"706182"	329.072067	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+H+K"	39.970434
"1460240"	123.014167	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H+K"	39.970434
"250299"	454.149626	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+ACN+H"	42.033826
"1223616"	248.091726	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+ACN+H"	42.033826
"1205067"	124.549501	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+ACN+2H"	43.041102
"200855"	457.08696	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+2Na-H"	44.97116
"640779"	663.14486	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+2Na-H"	44.97116
"1135899"	251.02906	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2Na-H"	44.97116
"176638"	229.047118	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+2Na"	45.978436
"615834"	332.076068	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+2Na"	45.978436
"1120432"	126.018168	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2Na"	45.978436
"1406872"	84.3478706666667	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H+2Na"	46.985712
"1438988"	253.070646	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H+HCOOH"	47.012746
"226500"	234.08014	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+3H2O+2H"	56.04448
"1512372"	267.12269	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+IsoProp+H"	61.06479
"417530"	237.034088	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+Na+K"	61.952376
"782911"	340.063038	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+Na+K"	61.952376
"1677786"	134.005138	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Na+K"	61.952376
"262119"	476.131568	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+ACN+Na"	64.015768
"1238110"	270.073668	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+ACN+Na"	64.015768
"1724807"	270.097193	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+NH4+HCOOH"	64.039293
"1191983"	91.6751846666667	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+3Na"	68.967654
"1660417"	275.052588	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Na+HCOOH"	68.994688
"167275"	489.03484	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+2K-H"	76.91904
"603556"	695.09274	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+2K-H"	76.91904
"1089161"	282.97694	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2K-H"	76.91904
"149989"	245.021058	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"2M+2K"	77.926316
"585539"	348.050008	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"3M+2K"	77.926316
"1070050"	141.992108	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2K"	77.926316
"1101071"	284.991492	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2K+H"	78.933592
"1335995"	285.079107	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+DMSO+H"	79.021207
"1005856"	289.118276	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2ACN+H"	83.060376
"1525453"	290.111908	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+IsoProp+Na+H"	84.054008
"991048"	145.062776	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+2ACN+2H"	84.067652
"1587374"	291.026528	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+K+HCOOH"	84.968628
"1428234"	321.058038	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+H+CF3COOH"	115.000138
"1161801"	165.576051	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+3ACN+2H"	125.094202
"1706977"	338.084585	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+NH4+CF3COOH"	132.026685
"1644815"	343.03998	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+Na+CF3COOH"	136.98208
"1576091"	359.01392	"C09311"	"Scoparone;67-Dimethoxycoumarin"	"C11H10O4"	"206.0579"	"M+K+CF3COOH"	152.95602
"803175"	228.0786	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M"	0
"976706"	209.06021	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"64213"	151.045124	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"504020"	227.071324	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"882315"	75.018924	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"886"	227.071324	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"440444"	341.110624	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"831708"	113.032024	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"91371"	455.149924	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"534086"	683.228524	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"910074"	227.071324	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"62738"	472.176471	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"502610"	700.255071	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"877193"	244.097871	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"46921"	477.131866	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"487066"	705.210466	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"864090"	249.053266	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1633825"	249.053266	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"108520"	245.059663	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"549428"	359.098963	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"939412"	131.020363	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"277968"	491.126602	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"664922"	719.205202	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1280604"	263.048002	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"18057"	493.105806	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"458346"	721.184406	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"835780"	265.027206	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1559631"	265.027206	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"949703"	273.076794	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"364640"	501.155401	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"355084"	515.171051	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1503917"	287.092451	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"971827"	295.058751	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"122918"	263.048002	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"563211"	377.087302	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1033098"	149.008702	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1243081"	306.997485	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1314038"	309.053472	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1329348"	331.035429	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"922596"	341.064186	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1298211"	377.040864	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1377466"	193.065924	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1396784"	211.0759	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"295743"	457.164476	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"684882"	685.243076	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1355764"	229.085876	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"136310"	229.085876	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"571498"	343.125176	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1044673"	115.046576	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"213669"	153.059676	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"652135"	229.085876	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1166980"	77.033476	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"426607"	474.191023	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"788331"	702.269623	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1685756"	246.112423	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"331482"	237.5991495	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"725118"	351.6384495	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1479545"	123.5598495	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"396768"	479.146418	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"758127"	707.225018	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1605495"	251.067818	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"317722"	240.076847	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"708682"	354.116147	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1474910"	126.037547	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1060501"	84.36079	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1264366"	261.112086	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"389502"	495.120358	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"751593"	723.198958	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1552917"	267.041758	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"314071"	248.063817	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"706817"	362.103117	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1459621"	134.024517	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"251099"	498.191026	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1224211"	270.112426	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1207730"	135.559851	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"199871"	501.12836	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"638338"	729.20696	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1133824"	273.04976	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"174924"	251.067818	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"615455"	365.107118	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1117868"	137.028518	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1410261"	91.688104	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1441284"	275.091346	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"227703"	256.10084	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1511388"	289.14339	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"417640"	259.054788	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"781929"	373.094088	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1678261"	145.015488	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"264416"	520.172968	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1236396"	292.094368	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1724186"	292.117893	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1192093"	99.015418	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1659433"	297.073288	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"165199"	533.07624	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"603666"	761.15484	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1089271"	304.99764	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"147183"	267.041758	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"587836"	381.081058	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1069060"	153.002458	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1100327"	307.012192	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1340846"	307.099807	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1006328"	311.138976	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1527508"	312.132608	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"991766"	156.073126	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1588460"	313.047228	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1429073"	343.078738	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1161790"	176.586401	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1707087"	360.105285	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1644925"	365.06068	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1579481"	381.03462	"C09312"	"Seselin"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"802554"	236.0685	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M"	0
"977180"	217.05011	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-H2O-H"	-19.01839
"65054"	156.371724	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M-3H"	-3.021828
"503524"	235.061224	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M-3H"	-3.021828
"882788"	77.682224	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-3H"	-3.021828
"431"	235.061224	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M-2H"	-2.014552
"440272"	353.095474	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M-2H"	-2.014552
"832679"	117.026974	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-2H"	-2.014552
"91481"	471.129724	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M-H"	-1.007276
"534016"	707.198224	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M-H"	-1.007276
"910792"	235.061224	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-H"	-1.007276
"62648"	488.156271	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M-2H+NH4"	16.019271
"500227"	724.224771	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M-2H+NH4"	16.019271
"869644"	252.087771	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-2H+NH4"	16.019271
"44109"	493.111666	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M-2H+Na"	20.974666
"486918"	729.180166	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M-2H+Na"	20.974666
"860380"	257.043166	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-2H+Na"	20.974666
"1634131"	257.043166	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Na-2H"	20.974666
"105350"	253.049563	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M-H+Cl"	33.962126
"549881"	371.083813	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M-H+Cl"	33.962126
"942074"	135.015313	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-H+Cl"	33.962126
"281237"	507.106402	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+Cl"	34.969402
"669407"	743.174902	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+Cl"	34.969402
"1282900"	271.037902	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Cl"	34.969402
"23271"	509.085606	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M-2H+K"	36.948606
"462831"	745.154106	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M-2H+K"	36.948606
"840632"	273.017106	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-2H+K"	36.948606
"1558652"	273.017106	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+K-2H"	36.948606
"950907"	281.066694	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-H+HCOOH"	44.998194
"364750"	517.135201	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+HCOOH-H"	44.998201
"356287"	531.150851	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+Hac-H"	59.013851
"1505120"	295.082351	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Hac-H"	59.013851
"972299"	303.048651	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-H+NaCOOH"	66.980151
"122665"	271.037902	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+2Cl"	69.938804
"562954"	389.072152	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+2Cl"	69.938804
"1032114"	153.003652	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2Cl"	69.938804
"1242220"	314.987385	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Br"	78.918885
"1313055"	317.043372	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Cl+HCOOH"	80.974872
"1327272"	339.025329	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Cl+NaCOOH"	102.956829
"918331"	349.054086	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M-H+CF3COOH"	112.985586
"1297228"	385.030764	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Cl+CF3COOH"	148.962264
"1377576"	201.055824	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H-2H2O"	-35.012676
"1396167"	219.0658	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H-H2O"	-17.0027
"295852"	473.144276	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+H"	1.007276
"681712"	709.212776	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+H"	1.007276
"1355874"	237.075776	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H"	1.007276
"135327"	237.075776	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+2H"	2.014552
"575981"	355.110026	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+2H"	2.014552
"1046965"	119.041526	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2H"	2.014552
"211586"	158.386276	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+3H"	3.021828
"648964"	237.075776	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+3H"	3.021828
"1168184"	79.696776	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+3H"	3.021828
"427081"	490.170823	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+NH4"	18.033823
"788442"	726.239323	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+NH4"	18.033823
"1686596"	254.102323	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+NH4"	18.033823
"333781"	245.5890495	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+H+NH4"	19.041099
"728390"	363.6232995	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+H+NH4"	19.041099
"1477338"	127.5547995	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H+NH4"	19.041099
"397608"	495.126218	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+Na"	22.989218
"757144"	731.194718	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+Na"	22.989218
"1604145"	259.057718	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Na"	22.989218
"317832"	248.066747	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+H+Na"	23.996494
"708426"	366.100997	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+H+Na"	23.996494
"1475020"	130.032497	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H+Na"	23.996494
"1062798"	87.02409	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2H+Na"	25.00377
"1265569"	269.101986	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+CH3OH+H"	33.033486
"388519"	511.100158	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+K"	38.963158
"751338"	747.168658	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+K"	38.963158
"1552298"	275.031658	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+K"	38.963158
"309837"	256.053717	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+H+K"	39.970434
"703353"	374.087967	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+H+K"	39.970434
"1460664"	138.019467	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H+K"	39.970434
"249788"	514.170826	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+ACN+H"	42.033826
"1225013"	278.102326	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+ACN+H"	42.033826
"1209505"	139.554801	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+ACN+2H"	43.041102
"200709"	517.10816	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+2Na-H"	44.97116
"638080"	753.17666	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+2Na-H"	44.97116
"1140494"	281.03966	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2Na-H"	44.97116
"176128"	259.057718	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+2Na"	45.978436
"616051"	377.091968	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+2Na"	45.978436
"1120288"	141.023468	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2Na"	45.978436
"1409278"	94.351404	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H+2Na"	46.985712
"1441395"	283.081246	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H+HCOOH"	47.012746
"226720"	264.09074	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+3H2O+2H"	56.04448
"1512227"	297.13329	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+IsoProp+H"	61.06479
"416657"	267.044688	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+Na+K"	61.952376
"785522"	385.078938	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+Na+K"	61.952376
"1679828"	149.010438	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Na+K"	61.952376
"264888"	536.152768	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+ACN+Na"	64.015768
"1238328"	300.084268	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+ACN+Na"	64.015768
"1725392"	300.107793	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+NH4+HCOOH"	64.039293
"1192567"	101.678718	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+3Na"	68.967654
"1661366"	305.063188	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Na+HCOOH"	68.994688
"168589"	549.05604	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+2K-H"	76.91904
"604869"	785.12454	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+2K-H"	76.91904
"1090474"	312.98754	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2K-H"	76.91904
"147293"	275.031658	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"2M+2K"	77.926316
"587946"	393.065908	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"3M+2K"	77.926316
"1070391"	156.997408	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2K"	77.926316
"1101046"	315.002092	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2K+H"	78.933592
"1342050"	315.089707	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+DMSO+H"	79.021207
"1006318"	319.128876	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2ACN+H"	83.060376
"1528711"	320.122508	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+IsoProp+Na+H"	84.054008
"991389"	160.068076	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+2ACN+2H"	84.067652
"1588934"	321.037128	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+K+HCOOH"	84.968628
"1429430"	351.068638	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+H+CF3COOH"	115.000138
"1162700"	180.581351	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+3ACN+2H"	125.094202
"1707197"	368.095185	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+NH4+CF3COOH"	132.026685
"1645035"	373.05058	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+Na+CF3COOH"	136.98208
"1576311"	389.02452	"C09313"	"567-Trimethoxycoumarin"	"C12H12O5"	"236.0685"	"M+K+CF3COOH"	152.95602
"802301"	228.0786	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M"	0
"974739"	209.06021	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"64072"	151.045124	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"505821"	227.071324	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"880347"	75.018924	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"1107"	227.071324	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"440036"	341.110624	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"826860"	113.032024	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"91956"	455.149924	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"534138"	683.228524	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"910415"	227.071324	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"61389"	472.176471	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"499244"	700.255071	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"868661"	244.097871	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"34373"	477.131866	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"486580"	705.210466	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"860126"	249.053266	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1634034"	249.053266	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"104367"	245.059663	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"549892"	359.098963	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"938538"	131.020363	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"280375"	491.126602	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"667329"	719.205202	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1278638"	263.048002	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"21194"	493.105806	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"460754"	721.184406	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"839648"	265.027206	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1559856"	265.027206	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"948830"	273.076794	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"364860"	501.155401	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"352024"	515.171051	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1505230"	287.092451	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"972045"	295.058751	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"118400"	263.048002	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"561240"	377.087302	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1033683"	149.008702	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1242330"	306.997485	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1312072"	309.053472	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1327382"	331.035429	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"918441"	341.064186	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1297338"	377.040864	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1377686"	193.065924	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1394090"	211.0759	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"293775"	457.164476	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"681822"	685.243076	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1357078"	229.085876	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"135437"	229.085876	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"576091"	343.125176	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1045982"	115.046576	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"211696"	153.059676	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"646518"	229.085876	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1166468"	77.033476	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"426097"	474.191023	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"787823"	702.269623	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1685613"	246.112423	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"336078"	237.5991495	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"727407"	351.6384495	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1477573"	123.5598495	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"396624"	479.146418	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"756160"	707.225018	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1604987"	251.067818	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"316479"	240.076847	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"709263"	354.116147	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1474038"	126.037547	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1064001"	84.36079	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1266772"	261.112086	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"388629"	495.120358	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"751084"	723.198958	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1552044"	267.041758	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"309948"	248.063817	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"704193"	362.103117	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1460205"	134.024517	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"249899"	498.191026	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1225542"	270.112426	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1209409"	135.559851	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"200818"	501.12836	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"638190"	729.20696	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1137324"	273.04976	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"174416"	251.067818	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"615433"	365.107118	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1121492"	137.028518	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1409388"	91.688104	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1443691"	275.091346	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"224643"	256.10084	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1511609"	289.14339	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"414580"	259.054788	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"785059"	373.094088	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1677380"	145.015488	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"265727"	520.172968	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1239530"	292.094368	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1726958"	292.117893	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1192312"	99.015418	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1659653"	297.073288	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"168699"	533.07624	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"606438"	761.15484	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1091678"	304.99764	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"147403"	267.041758	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"588056"	381.081058	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1070380"	153.002458	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1100672"	307.012192	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1342160"	307.099807	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1007043"	311.138976	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1526633"	312.132608	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"991985"	156.073126	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1588070"	313.047228	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1429417"	343.078738	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1162007"	176.586401	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1707307"	360.105285	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1641865"	365.06068	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1576421"	381.03462	"C09314"	"Trioxsalen;Trioxysalen;485-Trimethylpsoralen"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"804598"	162.0317	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M"	0
"977035"	143.01331	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H2O-H"	-19.01839
"64422"	107.013857333333	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-3H"	-3.021828
"508118"	161.024424	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-3H"	-3.021828
"883737"	53.0032906666667	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-3H"	-3.021828
"4498"	161.024424	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H"	-2.014552
"440207"	242.040274	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H"	-2.014552
"827334"	80.008574	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H"	-2.014552
"92189"	323.056124	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-H"	-1.007276
"533828"	485.087824	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-H"	-1.007276
"910405"	161.024424	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H"	-1.007276
"61500"	340.082671	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H+NH4"	16.019271
"499718"	502.114371	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H+NH4"	16.019271
"875332"	178.050971	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H+NH4"	16.019271
"42868"	345.038066	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H+Na"	20.974666
"486081"	507.069766	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H+Na"	20.974666
"861695"	183.006366	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H+Na"	20.974666
"1632932"	183.006366	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na-2H"	20.974666
"104477"	179.012763	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-H+Cl"	33.962126
"549025"	260.028613	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-H+Cl"	33.962126
"940835"	97.996913	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+Cl"	33.962126
"281213"	359.032802	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Cl"	34.969402
"670717"	521.064502	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+Cl"	34.969402
"1282027"	197.001102	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl"	34.969402
"24584"	361.012006	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H+K"	36.948606
"465239"	523.043706	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H+K"	36.948606
"839760"	198.980306	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H+K"	36.948606
"1561061"	198.980306	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K-2H"	36.948606
"950036"	207.029894	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+HCOOH"	44.998194
"369345"	369.061601	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+HCOOH-H"	44.998201
"355416"	383.077251	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Hac-H"	59.013851
"1504977"	221.045551	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Hac-H"	59.013851
"966322"	229.011851	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+NaCOOH"	66.980151
"121792"	197.001102	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2Cl"	69.938804
"565324"	278.016952	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2Cl"	69.938804
"1036949"	115.985252	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2Cl"	69.938804
"1244991"	240.950585	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Br"	78.918885
"1315462"	243.006572	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl+HCOOH"	80.974872
"1331865"	264.988529	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl+NaCOOH"	102.956829
"918550"	275.017286	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+CF3COOH"	112.985586
"1295261"	310.993964	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl+CF3COOH"	148.962264
"1377796"	127.019024	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H-2H2O"	-35.012676
"1396387"	145.029	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H-H2O"	-17.0027
"291699"	325.070676	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H"	1.007276
"684120"	487.102376	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H"	1.007276
"1363749"	163.038976	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H"	1.007276
"139921"	163.038976	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2H"	2.014552
"576202"	244.054826	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2H"	2.014552
"1050467"	82.023126	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2H"	2.014552
"215087"	109.028409333333	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+3H"	3.021828
"652463"	163.038976	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+3H"	3.021828
"1168402"	55.0178426666667	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+3H"	3.021828
"429487"	342.097223	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+NH4"	18.033823
"787566"	504.128923	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+NH4"	18.033823
"1683534"	180.065523	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+NH4"	18.033823
"335095"	171.5522495	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H+NH4"	19.041099
"727881"	252.5680995	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H+NH4"	19.041099
"1480238"	90.5363995	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+NH4"	19.041099
"398921"	347.052618	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Na"	22.989218
"761010"	509.084318	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+Na"	22.989218
"1606923"	185.020918	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na"	22.989218
"316710"	174.029947	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H+Na"	23.996494
"709375"	255.045797	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H+Na"	23.996494
"1473051"	93.014097	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+Na"	23.996494
"1066296"	62.3451566666667	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2H+Na"	25.00377
"1269067"	195.065186	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+CH3OH+H"	33.033486
"388737"	363.026558	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+K"	38.963158
"750464"	525.058258	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+K"	38.963158
"1551789"	200.994858	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K"	38.963158
"312855"	182.016917	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H+K"	39.970434
"706969"	263.032767	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H+K"	39.970434
"1460805"	101.001067	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+K"	39.970434
"250741"	366.097226	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+ACN+H"	42.033826
"1224669"	204.065526	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+ACN+H"	42.033826
"1206238"	102.536401	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+ACN+2H"	43.041102
"202025"	369.03456	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2Na-H"	44.97116
"640488"	531.06626	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2Na-H"	44.97116
"1142902"	207.00286	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2Na-H"	44.97116
"178538"	185.020918	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2Na"	45.978436
"622472"	266.036768	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2Na"	45.978436
"1123791"	104.005068	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2Na"	45.978436
"1410594"	69.6724706666667	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+2Na"	46.985712
"1444169"	209.044446	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+HCOOH"	47.012746
"226940"	190.05394	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+3H2O+2H"	56.04448
"1512813"	223.09649	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+IsoProp+H"	61.06479
"420886"	193.007888	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Na+K"	61.952376
"784079"	274.023738	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+Na+K"	61.952376
"1678950"	111.992038	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na+K"	61.952376
"264746"	388.079168	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+ACN+Na"	64.015768
"1240007"	226.047468	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+ACN+Na"	64.015768
"1725248"	226.070993	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+NH4+HCOOH"	64.039293
"1190604"	76.9997846666667	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+3Na"	68.967654
"1662681"	231.026388	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na+HCOOH"	68.994688
"167356"	400.98244	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2K-H"	76.91904
"607279"	563.01414	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2K-H"	76.91904
"1095801"	238.95074	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2K-H"	76.91904
"151523"	200.994858	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2K"	77.926316
"593271"	282.010708	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2K"	77.926316
"1077053"	119.979008	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2K"	77.926316
"1108075"	240.965292	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2K+H"	78.933592
"1343364"	241.052907	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+DMSO+H"	79.021207
"1011894"	245.092076	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2ACN+H"	83.060376
"1530019"	246.085708	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+IsoProp+Na+H"	84.054008
"994279"	123.049676	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2ACN+2H"	84.067652
"1589154"	247.000328	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K+HCOOH"	84.968628
"1423199"	277.031838	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+CF3COOH"	115.000138
"1147531"	143.562951	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+3ACN+2H"	125.094202
"1706324"	294.058385	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+NH4+CF3COOH"	132.026685
"1645255"	299.01378	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na+CF3COOH"	136.98208
"1579811"	314.98772	"C09315"	"Umbelliferone;7-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K+CF3COOH"	152.95602
"802398"	388.1522	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M"	0
"975119"	369.13381	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-H2O-H"	-19.01839
"64408"	257.760857333333	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M-3H"	-3.021828
"503975"	387.144924	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M-3H"	-3.021828
"884940"	128.376790666667	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-3H"	-3.021828
"1327"	387.144924	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M-2H"	-2.014552
"441249"	581.221024	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M-2H"	-2.014552
"827444"	193.068824	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-2H"	-2.014552
"92662"	775.297124	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M-H"	-1.007276
"533822"	1163.449324	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M-H"	-1.007276
"909665"	387.144924	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-H"	-1.007276
"61490"	792.323671	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M-2H+NH4"	16.019271
"497642"	1180.475871	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M-2H+NH4"	16.019271
"874349"	404.171471	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-2H+NH4"	16.019271
"43342"	797.279066	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M-2H+Na"	20.974666
"485099"	1185.431266	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M-2H+Na"	20.974666
"861441"	409.126866	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-2H+Na"	20.974666
"1630978"	409.126866	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Na-2H"	20.974666
"105680"	405.133263	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M-H+Cl"	33.962126
"548286"	599.209363	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M-H+Cl"	33.962126
"940218"	211.057163	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-H+Cl"	33.962126
"280230"	811.273802	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+Cl"	34.969402
"670827"	1199.426002	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+Cl"	34.969402
"1281044"	423.121602	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Cl"	34.969402
"24694"	813.253006	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M-2H+K"	36.948606
"462069"	1201.405206	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M-2H+K"	36.948606
"839870"	425.100806	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-2H+K"	36.948606
"1563358"	425.100806	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+K-2H"	36.948606
"947959"	433.150394	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-H+HCOOH"	44.998194
"368362"	821.302601	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+HCOOH-H"	44.998201
"354432"	835.318251	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+Hac-H"	59.013851
"1503265"	447.166051	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Hac-H"	59.013851
"965339"	455.132351	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-H+NaCOOH"	66.980151
"121902"	423.121602	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+2Cl"	69.938804
"565110"	617.197702	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+2Cl"	69.938804
"1036825"	229.045502	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2Cl"	69.938804
"1244008"	467.071085	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Br"	78.918885
"1309011"	469.127072	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Cl+HCOOH"	80.974872
"1328695"	491.109029	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Cl+NaCOOH"	102.956829
"918660"	501.137786	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M-H+CF3COOH"	112.985586
"1293547"	537.114464	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Cl+CF3COOH"	148.962264
"1369887"	353.139524	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H-2H2O"	-35.012676
"1394311"	371.1495	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H-H2O"	-17.0027
"291809"	777.311676	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+H"	1.007276
"685323"	1165.463876	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+H"	1.007276
"1363859"	389.159476	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H"	1.007276
"138938"	389.159476	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+2H"	2.014552
"575218"	583.235576	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+2H"	2.014552
"1049483"	195.083376	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2H"	2.014552
"210823"	259.775409333333	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+3H"	3.021828
"650386"	389.159476	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+3H"	3.021828
"1165958"	130.391342666667	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+3H"	3.021828
"429597"	794.338223	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+NH4"	18.033823
"788040"	1182.490423	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+NH4"	18.033823
"1682301"	406.186023	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+NH4"	18.033823
"331066"	397.6727495	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+H+NH4"	19.041099
"722998"	591.7488495	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+H+NH4"	19.041099
"1477248"	203.5966495	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H+NH4"	19.041099
"396113"	799.293618	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+Na"	22.989218
"756379"	1187.445818	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+Na"	22.989218
"1605935"	411.141418	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Na"	22.989218
"316334"	400.150447	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+H+Na"	23.996494
"708512"	594.226547	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+H+Na"	23.996494
"1467692"	206.074347	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H+Na"	23.996494
"1058748"	137.718656666667	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2H+Na"	25.00377
"1264804"	421.185686	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+CH3OH+H"	33.033486
"388847"	815.267558	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+K"	38.963158
"751667"	1203.419758	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+K"	38.963158
"1551899"	427.115358	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+K"	38.963158
"311262"	408.137417	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+H+K"	39.970434
"706949"	602.213517	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+H+K"	39.970434
"1460549"	214.061317	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H+K"	39.970434
"249391"	818.338226	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+ACN+H"	42.033826
"1225021"	430.186026	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+ACN+H"	42.033826
"1207076"	215.596651	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+ACN+2H"	43.041102
"201769"	821.27556	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+2Na-H"	44.97116
"641691"	1209.42776	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+2Na-H"	44.97116
"1144836"	433.12336	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2Na-H"	44.97116
"179742"	411.141418	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+2Na"	45.978436
"624769"	605.217518	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+2Na"	45.978436
"1127181"	217.065318	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2Na"	45.978436
"1413626"	145.045970666667	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H+2Na"	46.985712
"1445010"	435.164946	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H+HCOOH"	47.012746
"227050"	416.17444	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+3H2O+2H"	56.04448
"1512194"	449.21699	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+IsoProp+H"	61.06479
"422089"	419.128388	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+Na+K"	61.952376
"784189"	613.204488	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+Na+K"	61.952376
"1678333"	225.052288	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Na+K"	61.952376
"266313"	840.320168	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+ACN+Na"	64.015768
"1240483"	452.167968	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+ACN+Na"	64.015768
"1727058"	452.191493	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+NH4+HCOOH"	64.039293
"1191443"	152.373284666667	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+3Na"	68.967654
"1662426"	457.146888	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Na+HCOOH"	68.994688
"168558"	853.22344	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+2K-H"	76.91904
"608118"	1241.37564	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+2K-H"	76.91904
"1096640"	465.07124	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2K-H"	76.91904
"151269"	427.115358	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"2M+2K"	77.926316
"593016"	621.191458	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"3M+2K"	77.926316
"1078621"	233.039258	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2K"	77.926316
"1105997"	467.085792	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2K+H"	78.933592
"1338006"	467.173407	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+DMSO+H"	79.021207
"1013097"	471.212576	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2ACN+H"	83.060376
"1529036"	472.206208	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+IsoProp+Na+H"	84.054008
"992203"	236.109926	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+2ACN+2H"	84.067652
"1588900"	473.120828	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+K+HCOOH"	84.968628
"1423309"	503.152338	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+H+CF3COOH"	115.000138
"1148128"	256.623201	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+3ACN+2H"	125.094202
"1706434"	520.178885	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+NH4+CF3COOH"	132.026685
"1645365"	525.13428	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+Na+CF3COOH"	136.98208
"1579921"	541.10822	"C09316"	"Visnadin;Visnadine"	"C21H24O7"	"388.1522"	"M+K+CF3COOH"	152.95602
"807005"	228.0786	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M"	0
"977621"	209.06021	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"67684"	151.045124	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"509433"	227.071324	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"885052"	75.018924	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"3625"	227.071324	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"449746"	341.110624	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"824274"	113.032024	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"80985"	455.149924	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"532717"	683.228524	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"910884"	227.071324	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"61736"	472.176471	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"502373"	700.255071	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"879170"	244.097871	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"46538"	477.131866	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"486556"	705.210466	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"862644"	249.053266	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1632179"	249.053266	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"106886"	245.059663	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"549612"	359.098963	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"941422"	131.020363	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"280706"	491.126602	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"674219"	719.205202	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1284436"	263.048002	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"28087"	493.105806	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"462180"	721.184406	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"837796"	265.027206	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1561282"	265.027206	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"948073"	273.076794	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"368474"	501.155401	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"352356"	515.171051	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1500095"	287.092451	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"966544"	295.058751	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"120919"	263.048002	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"564978"	377.087302	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1036696"	149.008702	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1247764"	306.997485	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1311308"	309.053472	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1327711"	331.035429	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"917677"	341.064186	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1293658"	377.040864	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1372551"	193.065924	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1388953"	211.0759	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"288638"	457.164476	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"682154"	685.243076	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1360689"	229.085876	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"139045"	229.085876	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"577513"	343.125176	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1043032"	115.046576	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"214212"	153.059676	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"648672"	229.085876	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1166431"	77.033476	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"431895"	474.191023	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"788150"	702.269623	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1682654"	246.112423	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"330051"	237.5991495	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"723232"	351.6384495	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1477102"	123.5598495	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"393100"	479.146418	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"755394"	707.225018	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1605319"	251.067818	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"315234"	240.076847	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"715070"	354.116147	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1467795"	126.037547	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1055209"	84.36079	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1262722"	261.112086	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"382394"	495.120358	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"752869"	723.198958	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1549818"	267.041758	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"310277"	248.063817	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"701605"	362.103117	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1453238"	134.024517	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"245122"	498.191026	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1222205"	270.112426	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1206818"	135.559851	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"202241"	501.12836	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"640347"	729.20696	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1145312"	273.04976	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"187144"	251.067818	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"620504"	365.107118	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1125103"	137.028518	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1412999"	91.688104	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1441834"	275.091346	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"228249"	256.10084	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1519598"	289.14339	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"420377"	259.054788	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"783206"	373.094088	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1678079"	145.015488	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"266430"	520.172968	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1239746"	292.094368	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1727908"	292.117893	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1193826"	99.015418	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1665173"	297.073288	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"172400"	533.07624	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"612120"	761.15484	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1097480"	304.99764	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"153931"	267.041758	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"595801"	381.081058	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1081282"	153.002458	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1111210"	307.012192	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1344314"	307.099807	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1015395"	311.138976	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1528053"	312.132608	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"994501"	156.073126	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1589374"	313.047228	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1423419"	343.078738	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1150425"	176.586401	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1711282"	360.105285	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1645473"	365.06068	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1576751"	381.03462	"C09317"	"Xanthyletin"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"801729"	322.1205	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M"	0
"974366"	303.10211	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-H2O-H"	-19.01839
"65611"	213.739724	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M-3H"	-3.021828
"507360"	321.113224	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M-3H"	-3.021828
"882975"	106.366224	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-3H"	-3.021828
"3736"	321.113224	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M-2H"	-2.014552
"442202"	482.173474	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M-2H"	-2.014552
"824384"	160.052974	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-2H"	-2.014552
"82188"	643.233724	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M-H"	-1.007276
"527217"	965.354224	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M-H"	-1.007276
"911339"	321.113224	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-H"	-1.007276
"60489"	660.260271	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M-2H+NH4"	16.019271
"502360"	982.380771	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M-2H+NH4"	16.019271
"877486"	338.139771	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-2H+NH4"	16.019271
"46807"	665.215666	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M-2H+Na"	20.974666
"487059"	987.336166	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M-2H+Na"	20.974666
"860567"	343.095166	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-2H+Na"	20.974666
"1631196"	343.095166	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Na-2H"	20.974666
"109879"	339.101563	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M-H+Cl"	33.962126
"549353"	500.161813	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M-H+Cl"	33.962126
"941045"	178.041313	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-H+Cl"	33.962126
"281544"	679.210402	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+Cl"	34.969402
"667768"	1001.330902	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+Cl"	34.969402
"1284546"	357.089902	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Cl"	34.969402
"24916"	681.189606	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M-2H+K"	36.948606
"456823"	1003.310106	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M-2H+K"	36.948606
"836810"	359.069106	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-2H+K"	36.948606
"1560299"	359.069106	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+K-2H"	36.948606
"949275"	367.118694	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-H+HCOOH"	44.998194
"370771"	689.239201	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+HCOOH-H"	44.998201
"352466"	703.254851	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+Hac-H"	59.013851
"1495831"	381.134351	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Hac-H"	59.013851
"961184"	389.100651	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-H+NaCOOH"	66.980151
"118841"	357.089902	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+2Cl"	69.938804
"565617"	518.150152	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+2Cl"	69.938804
"1037058"	196.029652	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2Cl"	69.938804
"1246778"	401.039385	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Br"	78.918885
"1308138"	403.095372	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Cl+HCOOH"	80.974872
"1323814"	425.077329	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Cl+NaCOOH"	102.956829
"918885"	435.106086	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M-H+CF3COOH"	112.985586
"1293406"	471.082764	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Cl+CF3COOH"	148.962264
"1372660"	287.107824	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H-2H2O"	-35.012676
"1385782"	305.1178	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H-H2O"	-17.0027
"283197"	645.248276	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+H"	1.007276
"680077"	967.368776	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+H"	1.007276
"1360801"	323.127776	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H"	1.007276
"131502"	323.127776	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+2H"	2.014552
"574342"	484.188026	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+2H"	2.014552
"1040224"	162.067526	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2H"	2.014552
"207033"	215.754276	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+3H"	3.021828
"645496"	323.127776	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+3H"	3.021828
"1166544"	108.380776	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+3H"	3.021828
"427264"	662.274823	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+NH4"	18.033823
"789719"	984.395323	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+NH4"	18.033823
"1682766"	340.154323	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+NH4"	18.033823
"330679"	331.6410495	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+H+NH4"	19.041099
"722800"	492.7012995	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+H+NH4"	19.041099
"1479473"	170.5807995	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H+NH4"	19.041099
"395605"	667.230218	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+Na"	22.989218
"755869"	989.350718	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+Na"	22.989218
"1605792"	345.109718	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Na"	22.989218
"316553"	334.118747	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+H+Na"	23.996494
"707880"	495.178997	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+H+Na"	23.996494
"1466812"	173.058497	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H+Na"	23.996494
"1057871"	115.70809	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2H+Na"	25.00377
"1263927"	355.153986	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+CH3OH+H"	33.033486
"384689"	683.204158	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+K"	38.963158
"747875"	1005.324658	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+K"	38.963158
"1552116"	361.083658	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+K"	38.963158
"312574"	342.105717	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+H+K"	39.970434
"700620"	503.165967	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+H+K"	39.970434
"1455534"	181.045467	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H+K"	39.970434
"249241"	686.274826	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+ACN+H"	42.033826
"1224384"	364.154326	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+ACN+H"	42.033826
"1209445"	182.580801	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+ACN+2H"	43.041102
"203569"	689.21216	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+2Na-H"	44.97116
"639726"	1011.33266	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+2Na-H"	44.97116
"1145421"	367.09166	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2Na-H"	44.97116
"186524"	345.109718	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+2Na"	45.978436
"620614"	506.169968	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+2Na"	45.978436
"1129586"	184.049468	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2Na"	45.978436
"1413844"	123.035404	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H+2Na"	46.985712
"1444131"	369.133246	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H+HCOOH"	47.012746
"224718"	350.14274	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+3H2O+2H"	56.04448
"1516791"	383.18529	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+IsoProp+H"	61.06479
"416113"	353.096688	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+Na+K"	61.952376
"781487"	514.156938	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+Na+K"	61.952376
"1678560"	192.036438	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Na+K"	61.952376
"263622"	708.256768	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+ACN+Na"	64.015768
"1238514"	386.136268	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+ACN+Na"	64.015768
"1727403"	386.159793	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+NH4+HCOOH"	64.039293
"1193361"	130.362718	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+3Na"	68.967654
"1665078"	391.115188	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Na+HCOOH"	68.994688
"171696"	721.16004	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+2K-H"	76.91904
"611985"	1043.28054	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+2K-H"	76.91904
"1097590"	399.03954	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2K-H"	76.91904
"154406"	361.083658	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"2M+2K"	77.926316
"592505"	522.143908	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"3M+2K"	77.926316
"1077381"	200.023408	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2K"	77.926316
"1105123"	401.054092	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2K+H"	78.933592
"1339322"	401.141707	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+DMSO+H"	79.021207
"1007852"	405.180876	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2ACN+H"	83.060376
"1527071"	406.174508	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+IsoProp+Na+H"	84.054008
"992425"	203.094076	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+2ACN+2H"	84.067652
"1589120"	407.089128	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+K+HCOOH"	84.968628
"1425717"	437.120638	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+H+CF3COOH"	115.000138
"1159287"	223.607351	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+3ACN+2H"	125.094202
"1707749"	454.147185	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+NH4+CF3COOH"	132.026685
"1642303"	459.10258	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+Na+CF3COOH"	136.98208
"1576861"	475.07652	"C09318"	"Abyssinone I"	"C20H18O4"	"322.1205"	"M+K+CF3COOH"	152.95602
"801760"	408.1937	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M"	0
"977480"	389.17531	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-H2O-H"	-19.01839
"76660"	271.121857333333	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M-3H"	-3.021828
"507470"	407.186424	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M-3H"	-3.021828
"881994"	135.057290666667	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-3H"	-3.021828
"566"	407.186424	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M-2H"	-2.014552
"440611"	611.283274	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M-2H"	-2.014552
"829963"	203.089574	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-2H"	-2.014552
"92142"	815.380124	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M-H"	-1.007276
"534210"	1223.573824	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M-H"	-1.007276
"910236"	407.186424	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-H"	-1.007276
"61091"	832.406671	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M-2H+NH4"	16.019271
"501621"	1240.600371	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M-2H+NH4"	16.019271
"878204"	424.212971	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-2H+NH4"	16.019271
"45136"	837.362066	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M-2H+Na"	20.974666
"486862"	1245.555766	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M-2H+Na"	20.974666
"864015"	429.168366	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-2H+Na"	20.974666
"1630213"	429.168366	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Na-2H"	20.974666
"106742"	425.174763	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M-H+Cl"	33.962126
"546301"	629.271613	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M-H+Cl"	33.962126
"940790"	221.077913	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-H+Cl"	33.962126
"277643"	851.356802	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+Cl"	34.969402
"667880"	1259.550502	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+Cl"	34.969402
"1274817"	443.163102	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Cl"	34.969402
"17370"	853.336006	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M-2H+K"	36.948606
"456931"	1261.529706	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M-2H+K"	36.948606
"834733"	445.142306	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-2H+K"	36.948606
"1557127"	445.142306	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+K-2H"	36.948606
"943672"	453.191894	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-H+HCOOH"	44.998194
"364318"	861.385601	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+HCOOH-H"	44.998201
"346863"	875.401251	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+Hac-H"	59.013851
"1493873"	467.207551	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Hac-H"	59.013851
"962386"	475.173851	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-H+NaCOOH"	66.980151
"116761"	443.163102	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+2Cl"	69.938804
"557417"	647.259952	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+2Cl"	69.938804
"1034600"	239.066252	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2Cl"	69.938804
"1245795"	487.112585	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Br"	78.918885
"1308248"	489.168572	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Cl+HCOOH"	80.974872
"1323560"	511.150529	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Cl+NaCOOH"	102.956829
"920089"	521.179286	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M-H+CF3COOH"	112.985586
"1294611"	557.155964	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Cl+CF3COOH"	148.962264
"1371678"	373.181024	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H-2H2O"	-35.012676
"1385892"	391.191	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H-H2O"	-17.0027
"284850"	817.394676	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+H"	1.007276
"677270"	1225.588376	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+H"	1.007276
"1358724"	409.200976	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H"	1.007276
"128330"	409.200976	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+2H"	2.014552
"574452"	613.297826	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+2H"	2.014552
"1039604"	205.104126	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2H"	2.014552
"207508"	273.136409333333	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+3H"	3.021828
"645971"	409.200976	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+3H"	3.021828
"1167020"	137.071842666667	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+3H"	3.021828
"425793"	834.421223	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+NH4"	18.033823
"787638"	1242.614923	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+NH4"	18.033823
"1681657"	426.227523	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+NH4"	18.033823
"330789"	417.7142495	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+H+NH4"	19.041099
"723328"	621.8110995	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+H+NH4"	19.041099
"1477553"	213.6173995	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H+NH4"	19.041099
"393645"	839.376618	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+Na"	22.989218
"755366"	1247.570318	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+Na"	22.989218
"1604074"	431.182918	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Na"	22.989218
"315934"	420.191947	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+H+Na"	23.996494
"709821"	624.288797	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+H+Na"	23.996494
"1464735"	216.095097	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H+Na"	23.996494
"1055058"	144.399156666667	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2H+Na"	25.00377
"1260755"	441.227186	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+CH3OH+H"	33.033486
"383704"	855.350558	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+K"	38.963158
"741421"	1263.544258	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+K"	38.963158
"1553687"	447.156858	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+K"	38.963158
"311954"	428.178917	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+H+K"	39.970434
"701824"	632.275767	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+H+K"	39.970434
"1454551"	224.082067	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H+K"	39.970434
"248257"	858.421226	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+ACN+H"	42.033826
"1224252"	450.227526	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+ACN+H"	42.033826
"1208624"	225.617401	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+ACN+2H"	43.041102
"202828"	861.35856	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+2Na-H"	44.97116
"639836"	1269.55226	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+2Na-H"	44.97116
"1145533"	453.16486	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2Na-H"	44.97116
"186270"	431.182918	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+2Na"	45.978436
"620724"	635.279768	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+2Na"	45.978436
"1129211"	227.086068	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2Na"	45.978436
"1412859"	151.726470666667	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H+2Na"	46.985712
"1444850"	455.206446	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H+HCOOH"	47.012746
"226282"	436.21594	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+3H2O+2H"	56.04448
"1516537"	469.25849	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+IsoProp+H"	61.06479
"416223"	439.169888	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+Na+K"	61.952376
"781602"	643.266738	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+Na+K"	61.952376
"1679032"	235.073038	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Na+K"	61.952376
"265556"	880.403168	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+ACN+Na"	64.015768
"1238989"	472.209468	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+ACN+Na"	64.015768
"1726057"	472.232993	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+NH4+HCOOH"	64.039293
"1193351"	159.053784666667	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+3Na"	68.967654
"1664580"	477.188388	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Na+HCOOH"	68.994688
"171807"	893.30644	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+2K-H"	76.91904
"612460"	1301.50014	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+2K-H"	76.91904
"1099158"	485.11274	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2K-H"	76.91904
"150868"	447.156858	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"2M+2K"	77.926316
"594075"	651.253708	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"3M+2K"	77.926316
"1071297"	243.060008	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2K"	77.926316
"1100859"	487.127292	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2K+H"	78.933592
"1336152"	487.214907	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+DMSO+H"	79.021207
"1007961"	491.254076	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2ACN+H"	83.060376
"1526086"	492.247708	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+IsoProp+Na+H"	84.054008
"991442"	246.130676	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+2ACN+2H"	84.067652
"1591416"	493.162328	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+K+HCOOH"	84.968628
"1424738"	523.193838	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+H+CF3COOH"	115.000138
"1159397"	266.643951	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+3ACN+2H"	125.094202
"1707857"	540.220385	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+NH4+CF3COOH"	132.026685
"1645695"	545.17578	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+Na+CF3COOH"	136.98208
"1580251"	561.14972	"C09319"	"Abyssinone V"	"C25H28O5"	"408.1937"	"M+K+CF3COOH"	152.95602
"802231"	274.0841	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M"	0
"978683"	255.06571	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"77862"	181.715457333333	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"507580"	273.076824	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"885385"	90.3540906666667	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"1770"	273.076824	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"441692"	410.118874	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"831898"	136.034774	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"94086"	547.160924	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"533897"	821.245024	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"911129"	273.076824	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"62582"	564.187471	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"502221"	838.271571	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"879661"	290.103371	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"46344"	569.142866	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"485308"	843.226966	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"863593"	295.058766	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1631416"	295.058766	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"108799"	291.065163	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"548724"	428.107213	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"938107"	154.023113	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"277753"	583.137602	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"664711"	857.221702	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1278207"	309.053502	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"16875"	585.116806	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"459231"	859.200906	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"837033"	311.032706	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1558332"	311.032706	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"942971"	319.082294	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"362364"	593.166401	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"348313"	607.182051	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1494956"	333.097951	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"962498"	341.064251	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"115779"	309.053502	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"561537"	446.095552	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1032887"	172.011452	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1254288"	353.002985	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1309451"	355.058972	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1325856"	377.040929	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"919106"	387.069686	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1300190"	423.046364	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1369601"	239.071424	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1386002"	257.0814	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"286783"	549.175476	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"676286"	823.259576	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1354823"	275.091376	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"129170"	275.091376	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"572375"	412.133426	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1040079"	138.049326	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"206521"	183.730009333333	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"645718"	275.091376	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1169680"	92.3686426666667	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"429670"	566.202023	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"787748"	840.286123	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1682985"	292.117923	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"330776"	283.6046495	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"723441"	420.6466995	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1478598"	146.5625995	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"393998"	571.157418	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"756450"	845.241518	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1605278"	297.073318	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"316779"	286.082347	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"709564"	423.124397	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1463747"	149.040297	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1056265"	99.6959566666666	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1260865"	307.117586	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"387096"	587.131358	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"744811"	861.215458	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1553431"	313.047258	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"308417"	294.069317	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"702663"	431.111367	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1455754"	157.027267	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"248003"	590.202026	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1222903"	316.117926	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1207515"	158.562601	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"201118"	593.13936	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"638854"	867.22346	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1140173"	319.05526	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"185649"	297.073318	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"625206"	434.115368	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1124339"	160.031268	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1411143"	107.023270666667	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1442165"	321.096846	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"227485"	302.10634	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1514460"	335.14889	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"416333"	305.060288	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"782805"	442.102338	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1678411"	168.018238	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"263472"	612.183968	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1238002"	338.099868	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1726893"	338.123393	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1192611"	114.350584666667	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1664447"	343.078788	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"171188"	625.08724	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"610015"	899.17134	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1095620"	351.00314	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"143688"	313.047258	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"589809"	450.089308	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1071042"	176.005208	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1100483"	353.017692	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1336749"	353.105307	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1006978"	357.144476	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1527294"	358.138108	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"992645"	179.075876	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1591526"	359.052728	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1428127"	389.084238	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1159507"	199.589151	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1706875"	406.110785	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1645805"	411.06618	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1580361"	427.04012	"C09320"	"Afzelechin;3574-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"801497"	224.0837	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M"	0
"976603"	205.06531	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H2O-H"	-19.01839
"76878"	148.381857333333	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-3H"	-3.021828
"507690"	223.076424	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-3H"	-3.021828
"885492"	73.6872906666667	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-3H"	-3.021828
"541"	223.076424	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H"	-2.014552
"440708"	335.118274	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H"	-2.014552
"831278"	111.034574	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H"	-2.014552
"92982"	447.160124	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-H"	-1.007276
"532908"	671.243824	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-H"	-1.007276
"909860"	223.076424	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H"	-1.007276
"62046"	464.186671	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+NH4"	16.019271
"502330"	688.270371	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+NH4"	16.019271
"879364"	240.102971	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+NH4"	16.019271
"46086"	469.142066	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+Na"	20.974666
"484925"	693.225766	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+Na"	20.974666
"861267"	245.058366	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+Na"	20.974666
"1632983"	245.058366	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na-2H"	20.974666
"106233"	241.064763	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-H+Cl"	33.962126
"546521"	353.106613	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-H+Cl"	33.962126
"939308"	129.022913	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+Cl"	33.962126
"275675"	483.136802	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Cl"	34.969402
"668100"	707.220502	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Cl"	34.969402
"1281596"	259.053102	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl"	34.969402
"21968"	485.116006	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+K"	36.948606
"459342"	709.199706	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+K"	36.948606
"834956"	261.032306	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+K"	36.948606
"1555889"	261.032306	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K-2H"	36.948606
"943529"	269.081894	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+HCOOH"	44.998194
"363080"	493.165601	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+HCOOH-H"	44.998201
"349515"	507.181251	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Hac-H"	59.013851
"1492878"	283.097551	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Hac-H"	59.013851
"960421"	291.063851	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+NaCOOH"	66.980151
"113703"	259.053102	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Cl"	69.938804
"556543"	371.094952	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Cl"	69.938804
"1026434"	147.011252	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Cl"	69.938804
"1248201"	303.002585	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Br"	78.918885
"1308468"	305.058572	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+HCOOH"	80.974872
"1321955"	327.040529	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+NaCOOH"	102.956829
"915933"	337.069286	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+CF3COOH"	112.985586
"1295924"	373.045964	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+CF3COOH"	148.962264
"1374083"	189.071024	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H-2H2O"	-35.012676
"1386476"	207.081	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H-H2O"	-17.0027
"283609"	449.174676	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H"	1.007276
"676881"	673.258376	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H"	1.007276
"1352012"	225.090976	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H"	1.007276
"126361"	225.090976	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2H"	2.014552
"567744"	337.132826	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2H"	2.014552
"1038367"	113.049126	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2H"	2.014552
"205781"	150.396409333333	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+3H"	3.021828
"644736"	225.090976	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+3H"	3.021828
"1168697"	75.7018426666667	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3H"	3.021828
"427594"	466.201223	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+NH4"	18.033823
"787497"	690.284923	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+NH4"	18.033823
"1682124"	242.117523	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4"	18.033823
"332467"	233.6042495	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+NH4"	19.041099
"723797"	345.6460995	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+NH4"	19.041099
"1477614"	121.5623995	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+NH4"	19.041099
"393744"	471.156618	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Na"	22.989218
"757296"	695.240318	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Na"	22.989218
"1605396"	247.072918	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na"	22.989218
"316527"	236.081947	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+Na"	23.996494
"708944"	348.123797	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+Na"	23.996494
"1463493"	124.040097	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+Na"	23.996494
"1055646"	83.0291566666667	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2H+Na"	25.00377
"1260975"	257.117186	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+CH3OH+H"	33.033486
"387206"	487.130558	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+K"	38.963158
"744921"	711.214258	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+K"	38.963158
"1553541"	263.046858	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K"	38.963158
"308527"	244.068917	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+K"	39.970434
"703866"	356.110767	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+K"	39.970434
"1455864"	132.027067	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+K"	39.970434
"247749"	490.201226	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+ACN+H"	42.033826
"1224106"	266.117526	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+H"	42.033826
"1208354"	133.562401	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+2H"	43.041102
"202201"	493.13856	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Na-H"	44.97116
"638964"	717.22226	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Na-H"	44.97116
"1141376"	269.05486	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Na-H"	44.97116
"186613"	247.072918	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Na"	45.978436
"626897"	359.114768	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Na"	45.978436
"1127729"	135.031068	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Na"	45.978436
"1413200"	90.3564706666667	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+2Na"	46.985712
"1442275"	271.096446	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+HCOOH"	47.012746
"227595"	252.10594	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+3H2O+2H"	56.04448
"1518938"	285.14849	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+IsoProp+H"	61.06479
"415344"	255.059888	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Na+K"	61.952376
"780721"	367.101738	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Na+K"	61.952376
"1677425"	143.018038	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+K"	61.952376
"263217"	512.183168	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+ACN+Na"	64.015768
"1236653"	288.099468	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+Na"	64.015768
"1725177"	288.122993	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4+HCOOH"	64.039293
"1191989"	97.6837846666667	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3Na"	68.967654
"1663704"	293.078388	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+HCOOH"	68.994688
"171297"	525.08644	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2K-H"	76.91904
"609032"	749.17014	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2K-H"	76.91904
"1094636"	301.00274	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K-H"	76.91904
"149267"	263.046858	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2K"	77.926316
"592106"	375.088708	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2K"	77.926316
"1071154"	151.005008	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K"	77.926316
"1100262"	303.017292	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K+H"	78.933592
"1338561"	303.104907	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+DMSO+H"	79.021207
"1007451"	307.144076	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2ACN+H"	83.060376
"1527404"	308.137708	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+IsoProp+Na+H"	84.054008
"991052"	154.075676	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2ACN+2H"	84.067652
"1592729"	309.052328	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K+HCOOH"	84.968628
"1428237"	339.083838	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+CF3COOH"	115.000138
"1154150"	174.588951	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3ACN+2H"	125.094202
"1704798"	356.110385	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4+CF3COOH"	132.026685
"1645915"	361.06578	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+CF3COOH"	136.98208
"1577191"	377.03972	"C09321"	"2-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K+CF3COOH"	152.95602
"804275"	311.1158	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M"	0
"975620"	292.09741	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-H2O-H"	-19.01839
"63736"	206.403257333333	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M-3H"	-3.021828
"507800"	310.108524	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M-3H"	-3.021828
"885602"	102.697990666667	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-3H"	-3.021828
"1623"	310.108524	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M-2H"	-2.014552
"441548"	465.666424	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M-2H"	-2.014552
"819350"	154.550624	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-2H"	-2.014552
"93579"	621.224324	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M-H"	-1.007276
"533260"	932.340124	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M-H"	-1.007276
"910452"	310.108524	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-H"	-1.007276
"62403"	638.250871	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M-2H+NH4"	16.019271
"502561"	949.366671	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M-2H+NH4"	16.019271
"879829"	327.135071	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-2H+NH4"	16.019271
"46438"	643.206266	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M-2H+Na"	20.974666
"485764"	954.322066	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M-2H+Na"	20.974666
"862106"	332.090466	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-2H+Na"	20.974666
"1632609"	332.090466	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Na-2H"	20.974666
"107436"	328.096863	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M-H+Cl"	33.962126
"548088"	483.654763	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M-H+Cl"	33.962126
"940512"	172.538963	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-H+Cl"	33.962126
"275785"	657.201002	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+Cl"	34.969402
"664927"	968.316802	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+Cl"	34.969402
"1275873"	346.085202	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Cl"	34.969402
"22078"	659.180206	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M-2H+K"	36.948606
"459452"	970.296006	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M-2H+K"	36.948606
"833973"	348.064406	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-2H+K"	36.948606
"1556362"	348.064406	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+K-2H"	36.948606
"943638"	356.113994	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-H+HCOOH"	44.998194
"362096"	667.229801	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+HCOOH-H"	44.998201
"349625"	681.245451	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+Hac-H"	59.013851
"1493465"	370.129651	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Hac-H"	59.013851
"959063"	378.095951	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-H+NaCOOH"	66.980151
"115997"	346.085202	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+2Cl"	69.938804
"556652"	501.643102	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+2Cl"	69.938804
"1023139"	190.527302	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2Cl"	69.938804
"1246124"	390.034685	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Br"	78.918885
"1307485"	392.090672	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Cl+HCOOH"	80.974872
"1322065"	414.072629	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Cl+NaCOOH"	102.956829
"919323"	424.101386	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M-H+CF3COOH"	112.985586
"1294941"	460.078064	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Cl+CF3COOH"	148.962264
"1374193"	276.103124	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H-2H2O"	-35.012676
"1387315"	294.1131	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H-H2O"	-17.0027
"284085"	623.238876	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+H"	1.007276
"676138"	934.354676	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+H"	1.007276
"1351474"	312.123076	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H"	1.007276
"126225"	312.123076	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+2H"	2.014552
"567125"	467.680976	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+2H"	2.014552
"1038476"	156.565176	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2H"	2.014552
"205284"	208.417809333333	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+3H"	3.021828
"644964"	312.123076	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+3H"	3.021828
"1168807"	104.712542666667	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+3H"	3.021828
"428797"	640.265423	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+NH4"	18.033823
"789428"	951.381223	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+NH4"	18.033823
"1683937"	329.149623	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+NH4"	18.033823
"332942"	320.6363495	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+H+NH4"	19.041099
"726092"	476.1942495	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+H+NH4"	19.041099
"1479913"	165.0784495	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H+NH4"	19.041099
"394340"	645.220818	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+Na"	22.989218
"755097"	956.336618	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+Na"	22.989218
"1602873"	334.105018	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Na"	22.989218
"315178"	323.114047	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+H+Na"	23.996494
"709053"	478.671947	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+H+Na"	23.996494
"1462025"	167.556147	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H+Na"	23.996494
"1053691"	112.039856666667	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2H+Na"	25.00377
"1260720"	344.149286	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+CH3OH+H"	33.033486
"381118"	661.194758	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+K"	38.963158
"743939"	972.310558	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+K"	38.963158
"1554379"	350.078958	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+K"	38.963158
"308637"	331.101017	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+H+K"	39.970434
"704705"	486.658917	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+H+K"	39.970434
"1457067"	175.543117	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H+K"	39.970434
"249681"	664.265426	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+ACN+H"	42.033826
"1224702"	353.149626	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+ACN+H"	42.033826
"1208831"	177.078451	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+ACN+2H"	43.041102
"203406"	667.20276	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+2Na-H"	44.97116
"639074"	978.31856	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+2Na-H"	44.97116
"1138206"	356.08696	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2Na-H"	44.97116
"185869"	334.105018	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+2Na"	45.978436
"626155"	489.662918	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+2Na"	45.978436
"1128568"	178.547118	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2Na"	45.978436
"1413552"	119.367170666667	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H+2Na"	46.985712
"1442385"	358.128546	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H+HCOOH"	47.012746
"228798"	339.13804	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+3H2O+2H"	56.04448
"1517954"	372.18059	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+IsoProp+H"	61.06479
"415454"	342.091988	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+Na+K"	61.952376
"778645"	497.649888	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+Na+K"	61.952376
"1677536"	186.534088	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Na+K"	61.952376
"262598"	686.247368	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+ACN+Na"	64.015768
"1236398"	375.131568	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+ACN+Na"	64.015768
"1726380"	375.155093	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+NH4+HCOOH"	64.039293
"1192221"	126.694484666667	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+3Na"	68.967654
"1663693"	380.110488	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Na+HCOOH"	68.994688
"171649"	699.15064	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+2K-H"	76.91904
"609142"	1010.26644	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+2K-H"	76.91904
"1093653"	388.03484	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2K-H"	76.91904
"149377"	350.078958	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"2M+2K"	77.926316
"584562"	505.636858	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"3M+2K"	77.926316
"1071265"	194.521058	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2K"	77.926316
"1102286"	390.049392	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2K+H"	78.933592
"1336603"	390.137007	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+DMSO+H"	79.021207
"1006220"	394.176176	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2ACN+H"	83.060376
"1527514"	395.169808	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+IsoProp+Na+H"	84.054008
"990308"	197.591726	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+2ACN+2H"	84.067652
"1591746"	396.084428	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+K+HCOOH"	84.968628
"1428956"	426.115938	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+H+CF3COOH"	115.000138
"1154260"	218.105001	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+3ACN+2H"	125.094202
"1708188"	443.142485	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+NH4+CF3COOH"	132.026685
"1642745"	448.09788	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+Na+CF3COOH"	136.98208
"1577301"	464.07182	"C09322"	"Actinodaphnine;Actinodaphine"	"C18H17NO4"	"311.1158"	"M+K+CF3COOH"	152.95602
"813135"	726.3516	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M"	0
"981199"	707.33321	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-H2O-H"	-19.01839
"65067"	483.227124	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M-3H"	-3.021828
"504993"	725.344324	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M-3H"	-3.021828
"882791"	241.109924	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-3H"	-3.021828
"1975"	725.344324	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M-2H"	-2.014552
"442390"	1088.520124	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M-2H"	-2.014552
"821651"	362.168524	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-2H"	-2.014552
"92582"	1451.695924	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M-H"	-1.007276
"533609"	2178.047524	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M-H"	-1.007276
"910566"	725.344324	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-H"	-1.007276
"62631"	1468.722471	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M-2H+NH4"	16.019271
"502783"	2195.074071	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M-2H+NH4"	16.019271
"879900"	742.370871	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-2H+NH4"	16.019271
"47086"	1473.677866	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M-2H+Na"	20.974666
"487077"	2200.029466	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M-2H+Na"	20.974666
"862584"	747.326266	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-2H+Na"	20.974666
"1633819"	747.326266	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Na-2H"	20.974666
"109412"	743.332663	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M-H+Cl"	33.962126
"548200"	1106.508463	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M-H+Cl"	33.962126
"938435"	380.156863	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-H+Cl"	33.962126
"273709"	1487.672602	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+Cl"	34.969402
"671236"	2214.024202	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+Cl"	34.969402
"1281816"	761.321002	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Cl"	34.969402
"18907"	1489.651806	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M-2H+K"	36.948606
"459562"	2216.003406	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M-2H+K"	36.948606
"837363"	763.300206	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-2H+K"	36.948606
"1560851"	763.300206	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+K-2H"	36.948606
"948734"	771.349794	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-H+HCOOH"	44.998194
"362816"	1497.701401	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+HCOOH-H"	44.998201
"348643"	1511.717051	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+Hac-H"	59.013851
"1495289"	785.365451	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Hac-H"	59.013851
"961737"	793.331751	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-H+NaCOOH"	66.980151
"112831"	761.321002	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+2Cl"	69.938804
"550809"	1124.496802	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+2Cl"	69.938804
"1029936"	398.145202	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2Cl"	69.938804
"1242953"	805.270485	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Br"	78.918885
"1313064"	807.326472	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Cl+HCOOH"	80.974872
"1327281"	829.308429	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Cl+NaCOOH"	102.956829
"920527"	839.337186	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M-H+CF3COOH"	112.985586
"1300521"	875.313864	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Cl+CF3COOH"	148.962264
"1378681"	691.338924	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H-2H2O"	-35.012676
"1391802"	709.3489	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H-H2O"	-17.0027
"293675"	1453.710476	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+H"	1.007276
"680629"	2180.062076	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+H"	1.007276
"1355884"	727.358876	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H"	1.007276
"128408"	727.358876	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+2H"	2.014552
"568332"	1090.534676	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+2H"	2.014552
"1040045"	364.183076	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2H"	2.014552
"206247"	485.241676	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+3H"	3.021828
"647143"	727.358876	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+3H"	3.021828
"1167458"	243.124476	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+3H"	3.021828
"425994"	1470.737023	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+NH4"	18.033823
"789905"	2197.088623	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+NH4"	18.033823
"1683685"	744.385423	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+NH4"	18.033823
"331592"	735.8721495	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+H+NH4"	19.041099
"724381"	1099.0479495	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+H+NH4"	19.041099
"1480386"	372.6963495	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H+NH4"	19.041099
"395419"	1475.692418	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+Na"	22.989218
"754838"	2202.044018	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+Na"	22.989218
"1604151"	749.340818	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Na"	22.989218
"315649"	738.349847	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+H+Na"	23.996494
"710985"	1101.525647	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+H+Na"	23.996494
"1465169"	375.174047	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H+Na"	23.996494
"1054407"	250.45179	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2H+Na"	25.00377
"1260466"	759.385086	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+CH3OH+H"	33.033486
"380864"	1491.666358	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+K"	38.963158
"744049"	2218.017958	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+K"	38.963158
"1555577"	765.314758	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+K"	38.963158
"313570"	746.336817	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+H+K"	39.970434
"705910"	1109.512617	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+H+K"	39.970434
"1460666"	383.161017	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H+K"	39.970434
"247604"	1494.737026	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+ACN+H"	42.033826
"1225549"	768.385426	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+ACN+H"	42.033826
"1209864"	384.696351	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+ACN+2H"	43.041102
"203934"	1497.67436	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+2Na-H"	44.97116
"643897"	2224.02596	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+2Na-H"	44.97116
"1146969"	771.32276	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2Na-H"	44.97116
"188341"	749.340818	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+2Na"	45.978436
"628337"	1112.516618	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+2Na"	45.978436
"1129772"	386.165018	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2Na"	45.978436
"1411474"	257.779104	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H+2Na"	46.985712
"1445047"	773.364346	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H+HCOOH"	47.012746
"231097"	754.37384	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+3H2O+2H"	56.04448
"1516972"	787.41639	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+IsoProp+H"	61.06479
"413376"	757.327788	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+Na+K"	61.952376
"780944"	1120.503588	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+Na+K"	61.952376
"1679839"	394.151988	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Na+K"	61.952376
"264895"	1516.718968	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+ACN+Na"	64.015768
"1240763"	790.367368	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+ACN+Na"	64.015768
"1726859"	790.390893	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+NH4+HCOOH"	64.039293
"1191847"	265.106418	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+3Na"	68.967654
"1654085"	795.346288	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Na+HCOOH"	68.994688
"159489"	1529.62224	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+2K-H"	76.91904
"607069"	2255.97384	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+2K-H"	76.91904
"1098141"	803.27064	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2K-H"	76.91904
"150583"	765.314758	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"2M+2K"	77.926316
"586863"	1128.490558	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"3M+2K"	77.926316
"1081218"	402.138958	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2K"	77.926316
"1112240"	805.285192	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2K+H"	78.933592
"1346437"	805.372807	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+DMSO+H"	79.021207
"1013873"	809.411976	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2ACN+H"	83.060376
"1533094"	810.405608	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+IsoProp+Na+H"	84.054008
"995165"	405.209626	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+2ACN+2H"	84.067652
"1595140"	811.320228	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+K+HCOOH"	84.968628
"1428702"	841.351738	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+H+CF3COOH"	115.000138
"1154370"	425.722901	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+3ACN+2H"	125.094202
"1708298"	858.378285	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+NH4+CF3COOH"	132.026685
"1642855"	863.33368	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+Na+CF3COOH"	136.98208
"1577411"	879.30762	"C09323"	"Adiantifoline"	"C42H50N2O9"	"726.3516"	"M+K+CF3COOH"	152.95602
"801562"	383.1369	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M"	0
"974234"	364.11851	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-H2O-H"	-19.01839
"65177"	254.417324	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M-3H"	-3.021828
"504739"	382.129624	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M-3H"	-3.021828
"880064"	126.705024	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-3H"	-3.021828
"6584"	382.129624	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M-2H"	-2.014552
"448334"	573.698074	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M-2H"	-2.014552
"821761"	190.561174	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-2H"	-2.014552
"86130"	765.266524	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M-H"	-1.007276
"533362"	1148.403424	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M-H"	-1.007276
"909950"	382.129624	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-H"	-1.007276
"60561"	782.293071	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M-2H+NH4"	16.019271
"502631"	1165.429971	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M-2H+NH4"	16.019271
"879707"	399.156171	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-2H+NH4"	16.019271
"46956"	787.248466	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M-2H+Na"	20.974666
"486872"	1170.385366	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M-2H+Na"	20.974666
"863424"	404.111566	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-2H+Na"	20.974666
"1633685"	404.111566	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Na-2H"	20.974666
"106564"	400.117963	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M-H+Cl"	33.962126
"549284"	591.686413	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M-H+Cl"	33.962126
"939638"	208.549513	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-H+Cl"	33.962126
"280381"	801.243202	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+Cl"	34.969402
"671711"	1184.380102	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+Cl"	34.969402
"1281926"	418.106302	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Cl"	34.969402
"22297"	803.222406	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M-2H+K"	36.948606
"465140"	1186.359306	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M-2H+K"	36.948606
"844033"	420.085506	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-2H+K"	36.948606
"1564241"	420.085506	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+K-2H"	36.948606
"945564"	428.135094	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-H+HCOOH"	44.998194
"362684"	811.272001	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+HCOOH-H"	44.998201
"348753"	825.287651	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+Hac-H"	59.013851
"1495399"	442.150751	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Hac-H"	59.013851
"961847"	450.117051	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-H+NaCOOH"	66.980151
"115127"	418.106302	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+2Cl"	69.938804
"550309"	609.674752	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+2Cl"	69.938804
"1028953"	226.537852	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2Cl"	69.938804
"1241970"	462.055785	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Br"	78.918885
"1313174"	464.111772	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Cl+HCOOH"	80.974872
"1327391"	486.093729	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Cl+NaCOOH"	102.956829
"919544"	496.122486	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M-H+CF3COOH"	112.985586
"1300996"	532.099164	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Cl+CF3COOH"	148.962264
"1378791"	348.124224	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H-2H2O"	-35.012676
"1391912"	366.1342	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H-H2O"	-17.0027
"290505"	767.281076	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+H"	1.007276
"679645"	1150.417976	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+H"	1.007276
"1351738"	384.144176	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H"	1.007276
"128517"	384.144176	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+2H"	2.014552
"566985"	575.712626	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+2H"	2.014552
"1037845"	192.575726	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2H"	2.014552
"205382"	256.431876	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+3H"	3.021828
"645431"	384.144176	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+3H"	3.021828
"1163558"	128.719576	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+3H"	3.021828
"427927"	784.307623	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+NH4"	18.033823
"788192"	1167.444523	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+NH4"	18.033823
"1683796"	401.170723	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+NH4"	18.033823
"330976"	392.6574495	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+H+NH4"	19.041099
"723115"	584.2258995	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+H+NH4"	19.041099
"1478675"	201.0889995	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H+NH4"	19.041099
"395166"	789.263018	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+Na"	22.989218
"754543"	1172.399918	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+Na"	22.989218
"1603534"	406.126118	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Na"	22.989218
"315031"	395.135147	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+H+Na"	23.996494
"710368"	586.703597	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+H+Na"	23.996494
"1464185"	203.566697	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H+Na"	23.996494
"1053425"	136.04689	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2H+Na"	25.00377
"1261305"	416.170386	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+CH3OH+H"	33.033486
"379881"	805.236958	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+K"	38.963158
"745252"	1188.373858	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+K"	38.963158
"1554966"	422.100058	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+K"	38.963158
"312869"	403.122117	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+H+K"	39.970434
"706020"	594.690567	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+H+K"	39.970434
"1460814"	211.553667	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H+K"	39.970434
"247350"	808.307626	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+ACN+H"	42.033826
"1225290"	425.170726	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+ACN+H"	42.033826
"1209420"	213.089001	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+ACN+2H"	43.041102
"204171"	811.24496	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+2Na-H"	44.97116
"644124"	1194.38186	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+2Na-H"	44.97116
"1146922"	428.10806	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2Na-H"	44.97116
"188537"	406.126118	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+2Na"	45.978436
"628200"	597.694568	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+2Na"	45.978436
"1129882"	214.557668	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2Na"	45.978436
"1408304"	143.374204	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H+2Na"	46.985712
"1444793"	430.149646	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H+HCOOH"	47.012746
"231207"	411.15914	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+3H2O+2H"	56.04448
"1519998"	444.20169	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+IsoProp+H"	61.06479
"412394"	414.113088	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+Na+K"	61.952376
"779960"	605.681538	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+Na+K"	61.952376
"1680682"	222.544638	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Na+K"	61.952376
"267116"	830.289568	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+ACN+Na"	64.015768
"1240265"	447.152668	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+ACN+Na"	64.015768
"1728269"	447.176193	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+NH4+HCOOH"	64.039293
"1193049"	150.701518	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+3Na"	68.967654
"1656385"	452.131588	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Na+HCOOH"	68.994688
"166526"	843.19284	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+2K-H"	76.91904
"611553"	1226.32974	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+2K-H"	76.91904
"1099630"	460.05594	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2K-H"	76.91904
"153973"	422.100058	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"2M+2K"	77.926316
"589160"	613.668508	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"3M+2K"	77.926316
"1082421"	230.531608	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2K"	77.926316
"1114295"	462.070492	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2K+H"	78.933592
"1345454"	462.158107	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+DMSO+H"	79.021207
"1011797"	466.197276	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2ACN+H"	83.060376
"1531017"	467.190908	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+IsoProp+Na+H"	84.054008
"999649"	233.602276	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+2ACN+2H"	84.067652
"1598530"	468.105528	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+K+HCOOH"	84.968628
"1428934"	498.137038	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+H+CF3COOH"	115.000138
"1154480"	254.115551	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+3ACN+2H"	125.094202
"1709502"	515.163585	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+NH4+CF3COOH"	132.026685
"1642965"	520.11898	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+Na+CF3COOH"	136.98208
"1577521"	536.09292	"C09324"	"()-Adlumine"	"C21H21NO6"	"383.1369"	"M+K+CF3COOH"	152.95602
"801509"	345.1576	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M"	0
"975220"	326.13921	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-H2O-H"	-19.01839
"64918"	229.097790666667	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M-3H"	-3.021828
"507033"	344.150324	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M-3H"	-3.021828
"883741"	114.045257333333	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-3H"	-3.021828
"9974"	344.150324	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M-2H"	-2.014552
"448444"	516.729124	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M-2H"	-2.014552
"821871"	171.571524	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-2H"	-2.014552
"84049"	689.307924	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M-H"	-1.007276
"522514"	1034.465524	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M-H"	-1.007276
"902503"	344.150324	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-H"	-1.007276
"53599"	706.334471	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M-2H+NH4"	16.019271
"495349"	1051.492071	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M-2H+NH4"	16.019271
"879115"	361.176871	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-2H+NH4"	16.019271
"46167"	711.289866	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M-2H+Na"	20.974666
"486091"	1056.447466	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M-2H+Na"	20.974666
"863400"	366.132266	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-2H+Na"	20.974666
"1631963"	366.132266	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Na-2H"	20.974666
"107767"	362.138663	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M-H+Cl"	33.962126
"547328"	534.717463	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M-H+Cl"	33.962126
"940476"	189.559863	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-H+Cl"	33.962126
"279398"	725.284602	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+Cl"	34.969402
"672914"	1070.442202	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+Cl"	34.969402
"1284223"	380.127002	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Cl"	34.969402
"22405"	727.263806	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M-2H+K"	36.948606
"463058"	1072.421406	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M-2H+K"	36.948606
"837582"	382.106206	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-2H+K"	36.948606
"1556208"	382.106206	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+K-2H"	36.948606
"947860"	390.155794	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-H+HCOOH"	44.998194
"362794"	735.313401	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+HCOOH-H"	44.998201
"348863"	749.329051	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+Hac-H"	59.013851
"1497695"	404.171451	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Hac-H"	59.013851
"964143"	412.137751	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-H+NaCOOH"	66.980151
"113050"	380.127002	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+2Cl"	69.938804
"551151"	552.705802	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+2Cl"	69.938804
"1025781"	207.548202	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2Cl"	69.938804
"1246454"	424.076485	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Br"	78.918885
"1313284"	426.132472	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Cl+HCOOH"	80.974872
"1327501"	448.114429	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Cl+NaCOOH"	102.956829
"919654"	458.143186	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M-H+CF3COOH"	112.985586
"1299283"	494.119864	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Cl+CF3COOH"	148.962264
"1378901"	310.144924	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H-2H2O"	-35.012676
"1392022"	328.1549	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H-H2O"	-17.0027
"290615"	691.322476	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+H"	1.007276
"679755"	1036.480076	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+H"	1.007276
"1351606"	346.164876	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H"	1.007276
"130450"	346.164876	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+2H"	2.014552
"567459"	518.743676	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+2H"	2.014552
"1037834"	173.586076	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2H"	2.014552
"205618"	231.112342666667	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+3H"	3.021828
"645178"	346.164876	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+3H"	3.021828
"1163303"	116.059809333333	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+3H"	3.021828
"426576"	708.349023	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+NH4"	18.033823
"789394"	1053.506623	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+NH4"	18.033823
"1684633"	363.191423	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+NH4"	18.033823
"332182"	354.6781495	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+H+NH4"	19.041099
"726427"	527.2569495	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+H+NH4"	19.041099
"1479513"	182.0993495	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H+NH4"	19.041099
"395640"	713.304418	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+Na"	22.989218
"756637"	1058.462018	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+Na"	22.989218
"1605464"	368.146818	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Na"	22.989218
"315502"	357.155847	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+H+Na"	23.996494
"710842"	529.734647	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+H+Na"	23.996494
"1464297"	184.577047	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H+Na"	23.996494
"1055358"	123.387123333333	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2H+Na"	25.00377
"1260322"	378.191086	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+CH3OH+H"	33.033486
"379991"	729.278358	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+K"	38.963158
"745362"	1074.435958	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+K"	38.963158
"1555078"	384.120758	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+K"	38.963158
"314076"	365.142817	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+H+K"	39.970434
"706895"	537.721617	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+H+K"	39.970434
"1459101"	192.564017	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H+K"	39.970434
"247824"	732.349026	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+ACN+H"	42.033826
"1225240"	387.191426	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+ACN+H"	42.033826
"1209873"	194.099351	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+ACN+2H"	43.041102
"204134"	735.28636	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+2Na-H"	44.97116
"643906"	1080.44396	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+2Na-H"	44.97116
"1145102"	390.12876	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2Na-H"	44.97116
"187906"	368.146818	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+2Na"	45.978436
"626734"	540.725618	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+2Na"	45.978436
"1129992"	195.568018	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2Na"	45.978436
"1410239"	130.714437333333	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H+2Na"	46.985712
"1442355"	392.170346	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H+HCOOH"	47.012746
"231317"	373.17984	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+3H2O+2H"	56.04448
"1517192"	406.22239	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+IsoProp+H"	61.06479
"415783"	376.133788	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+Na+K"	61.952376
"780437"	548.712588	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+Na+K"	61.952376
"1680304"	203.554988	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Na+K"	61.952376
"267065"	754.330968	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+ACN+Na"	64.015768
"1239646"	409.173368	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+ACN+Na"	64.015768
"1728425"	409.196893	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+NH4+HCOOH"	64.039293
"1193931"	138.041751333333	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+3Na"	68.967654
"1661963"	414.152288	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Na+HCOOH"	68.994688
"171010"	767.23424	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+2K-H"	76.91904
"612778"	1112.39184	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+2K-H"	76.91904
"1099821"	422.07664	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2K-H"	76.91904
"148616"	384.120758	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"2M+2K"	77.926316
"592550"	556.699558	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"3M+2K"	77.926316
"1082410"	211.541958	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2K"	77.926316
"1114526"	424.091192	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2K+H"	78.933592
"1344471"	424.178807	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+DMSO+H"	79.021207
"1011907"	428.217976	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2ACN+H"	83.060376
"1531127"	429.211608	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+IsoProp+Na+H"	84.054008
"998666"	214.612626	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+2ACN+2H"	84.067652
"1598640"	430.126228	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+K+HCOOH"	84.968628
"1429407"	460.157738	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+H+CF3COOH"	115.000138
"1154590"	235.125901	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+3ACN+2H"	125.094202
"1708518"	477.184285	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+NH4+CF3COOH"	132.026685
"1643075"	482.13968	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+Na+CF3COOH"	136.98208
"1576537"	498.11362	"C09325"	"Aknadicine"	"C19H23NO5"	"345.1576"	"M+K+CF3COOH"	152.95602
"802528"	338.1267	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M"	0
"976060"	319.10831	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-H2O-H"	-19.01839
"66487"	224.410524	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M-3H"	-3.021828
"508236"	337.119424	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M-3H"	-3.021828
"882758"	111.701624	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-3H"	-3.021828
"10084"	337.119424	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M-2H"	-2.014552
"448554"	506.182774	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M-2H"	-2.014552
"826358"	168.056074	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-2H"	-2.014552
"87440"	675.246124	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M-H"	-1.007276
"526999"	1013.372824	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M-H"	-1.007276
"901885"	337.119424	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-H"	-1.007276
"58088"	692.272671	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M-2H+NH4"	16.019271
"495459"	1030.399371	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M-2H+NH4"	16.019271
"879903"	354.145971	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-2H+NH4"	16.019271
"46153"	697.228066	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M-2H+Na"	20.974666
"486077"	1035.354766	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M-2H+Na"	20.974666
"860716"	359.101366	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-2H+Na"	20.974666
"1628063"	359.101366	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Na-2H"	20.974666
"107876"	355.107763	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M-H+Cl"	33.962126
"547439"	524.171113	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M-H+Cl"	33.962126
"941561"	186.044413	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-H+Cl"	33.962126
"274043"	711.222802	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+Cl"	34.969402
"668651"	1049.349502	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+Cl"	34.969402
"1283242"	373.096102	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Cl"	34.969402
"22517"	713.202006	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M-2H+K"	36.948606
"459890"	1051.328706	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M-2H+K"	36.948606
"837693"	375.075306	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-2H+K"	36.948606
"1561181"	375.075306	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+K-2H"	36.948606
"947970"	383.124894	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-H+HCOOH"	44.998194
"365092"	721.251601	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+HCOOH-H"	44.998201
"347881"	735.267251	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+Hac-H"	59.013851
"1492942"	397.140551	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Hac-H"	59.013851
"960973"	405.106851	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-H+NaCOOH"	66.980151
"110276"	373.096102	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+2Cl"	69.938804
"550324"	542.159452	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+2Cl"	69.938804
"1022246"	204.032752	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2Cl"	69.938804
"1243284"	417.045585	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Br"	78.918885
"1310117"	419.101572	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Cl+HCOOH"	80.974872
"1328708"	441.083529	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Cl+NaCOOH"	102.956829
"918674"	451.112286	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M-H+CF3COOH"	112.985586
"1297935"	487.088964	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Cl+CF3COOH"	148.962264
"1367951"	303.114024	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H-2H2O"	-35.012676
"1388852"	321.124	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H-H2O"	-17.0027
"287445"	677.260676	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+H"	1.007276
"675889"	1015.387376	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+H"	1.007276
"1351834"	339.133976	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H"	1.007276
"126185"	339.133976	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+2H"	2.014552
"566840"	508.197326	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+2H"	2.014552
"1037827"	170.070626	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2H"	2.014552
"204794"	226.425076	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+3H"	3.021828
"645288"	339.133976	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+3H"	3.021828
"1163407"	113.716176	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+3H"	3.021828
"424735"	694.287223	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+NH4"	18.033823
"787681"	1032.413923	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+NH4"	18.033823
"1683650"	356.160523	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+NH4"	18.033823
"331932"	347.6472495	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+H+NH4"	19.041099
"726903"	516.7105995	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+H+NH4"	19.041099
"1479264"	178.5838995	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H+NH4"	19.041099
"394053"	699.242618	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+Na"	22.989218
"756016"	1037.369318	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+Na"	22.989218
"1604842"	361.115918	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Na"	22.989218
"315974"	350.124947	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+H+Na"	23.996494
"710217"	519.188297	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+H+Na"	23.996494
"1463438"	181.061597	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H+Na"	23.996494
"1056567"	121.04349	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2H+Na"	25.00377
"1260433"	371.160186	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+CH3OH+H"	33.033486
"390675"	715.216558	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+K"	38.963158
"750578"	1053.343258	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+K"	38.963158
"1554335"	377.089858	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+K"	38.963158
"314033"	358.111917	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+H+K"	39.970434
"706943"	527.175267	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+H+K"	39.970434
"1460673"	189.048567	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H+K"	39.970434
"251273"	718.287226	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+ACN+H"	42.033826
"1225274"	380.160526	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+ACN+H"	42.033826
"1209282"	190.583901	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+ACN+2H"	43.041102
"203807"	721.22456	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+2Na-H"	44.97116
"643653"	1059.35126	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+2Na-H"	44.97116
"1145333"	383.09786	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2Na-H"	44.97116
"187044"	361.115918	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+2Na"	45.978436
"627212"	530.179268	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+2Na"	45.978436
"1130474"	192.052568	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2Na"	45.978436
"1411804"	128.370804	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H+2Na"	46.985712
"1438453"	385.139446	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H+HCOOH"	47.012746
"231427"	366.14894	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+3H2O+2H"	56.04448
"1517302"	399.19149	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+IsoProp+H"	61.06479
"419174"	369.102888	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+Na+K"	61.952376
"779454"	538.166238	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+Na+K"	61.952376
"1681028"	200.039538	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Na+K"	61.952376
"266321"	740.269168	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+ACN+Na"	64.015768
"1238663"	402.142468	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+ACN+Na"	64.015768
"1728283"	402.165993	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+NH4+HCOOH"	64.039293
"1194186"	135.698118	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+3Na"	68.967654
"1664259"	407.121388	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Na+HCOOH"	68.994688
"172217"	753.17244	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+2K-H"	76.91904
"612753"	1091.29914	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+2K-H"	76.91904
"1099080"	415.04574	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2K-H"	76.91904
"153099"	377.089858	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"2M+2K"	77.926316
"592660"	546.153208	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"3M+2K"	77.926316
"1083375"	208.026508	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2K"	77.926316
"1111476"	417.060292	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2K+H"	78.933592
"1346768"	417.147907	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+DMSO+H"	79.021207
"1020280"	421.187076	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2ACN+H"	83.060376
"1531236"	422.180708	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+IsoProp+Na+H"	84.054008
"996589"	211.097176	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+2ACN+2H"	84.067652
"1598750"	423.095328	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+K+HCOOH"	84.968628
"1429155"	453.126838	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+H+CF3COOH"	115.000138
"1155793"	231.610451	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+3ACN+2H"	125.094202
"1702064"	470.153385	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+NH4+CF3COOH"	132.026685
"1643185"	475.10878	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+Na+CF3COOH"	136.98208
"1576647"	491.08272	"C09326"	"Alamarine"	"C19H18N2O4"	"338.1267"	"M+K+CF3COOH"	152.95602
"804825"	480.2624	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M"	0
"975440"	461.24401	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-H2O-H"	-19.01839
"64166"	319.167657333333	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M-3H"	-3.021828
"503972"	479.255124	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M-3H"	-3.021828
"881409"	159.080190666667	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-3H"	-3.021828
"3997"	479.255124	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M-2H"	-2.014552
"447570"	719.386324	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M-2H"	-2.014552
"829748"	239.123924	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-2H"	-2.014552
"87551"	959.517524	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M-H"	-1.007276
"526016"	1439.779924	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M-H"	-1.007276
"901630"	479.255124	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-H"	-1.007276
"58198"	976.544071	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M-2H+NH4"	16.019271
"495569"	1456.806471	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M-2H+NH4"	16.019271
"878733"	496.281671	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-2H+NH4"	16.019271
"46148"	981.499466	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M-2H+Na"	20.974666
"486314"	1461.761866	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M-2H+Na"	20.974666
"862647"	501.237066	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-2H+Na"	20.974666
"1632546"	501.237066	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Na-2H"	20.974666
"104706"	497.243463	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M-H+Cl"	33.962126
"548886"	737.374663	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M-H+Cl"	33.962126
"939969"	257.112263	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-H+Cl"	33.962126
"278526"	995.494202	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+Cl"	34.969402
"670948"	1475.756602	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+Cl"	34.969402
"1282258"	515.231802	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Cl"	34.969402
"19346"	997.473406	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M-2H+K"	36.948606
"461093"	1477.735806	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M-2H+K"	36.948606
"841083"	517.211006	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-2H+K"	36.948606
"1560196"	517.211006	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+K-2H"	36.948606
"951359"	525.260594	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-H+HCOOH"	44.998194
"365202"	1005.523001	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+HCOOH-H"	44.998201
"347991"	1019.538651	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+Hac-H"	59.013851
"1495364"	539.276251	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Hac-H"	59.013851
"958893"	547.242551	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-H+NaCOOH"	66.980151
"111447"	515.231802	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+2Cl"	69.938804
"550636"	755.363002	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+2Cl"	69.938804
"1022719"	275.100602	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2Cl"	69.938804
"1243027"	559.181285	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Br"	78.918885
"1310227"	561.237272	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Cl+HCOOH"	80.974872
"1327724"	583.219229	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Cl+NaCOOH"	102.956829
"919877"	593.247986	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M-H+CF3COOH"	112.985586
"1298773"	629.224664	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Cl+CF3COOH"	148.962264
"1372558"	445.249724	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H-2H2O"	-35.012676
"1391148"	463.2597	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H-H2O"	-17.0027
"289740"	961.532076	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+H"	1.007276
"676814"	1441.794476	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+H"	1.007276
"1351702"	481.269676	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H"	1.007276
"126782"	481.269676	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+2H"	2.014552
"566950"	721.400876	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+2H"	2.014552
"1038301"	241.138476	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2H"	2.014552
"205107"	321.182209333333	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+3H"	3.021828
"646126"	481.269676	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+3H"	3.021828
"1163274"	161.094742666667	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+3H"	3.021828
"424847"	978.558623	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+NH4"	18.033823
"786696"	1458.821023	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+NH4"	18.033823
"1683757"	498.296223	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+NH4"	18.033823
"336417"	489.7829495	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+H+NH4"	19.041099
"729928"	729.9141495	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+H+NH4"	19.041099
"1480467"	249.6517495	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H+NH4"	19.041099
"394407"	983.514018	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+Na"	22.989218
"756491"	1463.776418	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+Na"	22.989218
"1605682"	503.251618	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Na"	22.989218
"316445"	492.260647	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+H+Na"	23.996494
"709599"	732.391847	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+H+Na"	23.996494
"1462697"	252.129447	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H+Na"	23.996494
"1056676"	168.422056666667	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2H+Na"	25.00377
"1260543"	513.295886	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+CH3OH+H"	33.033486
"389691"	999.487958	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+K"	38.963158
"751052"	1479.750358	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+K"	38.963158
"1554810"	519.225558	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+K"	38.963158
"313819"	500.247617	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+H+K"	39.970434
"707040"	740.378817	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+H+K"	39.970434
"1458351"	260.116417	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H+K"	39.970434
"250976"	1002.558626	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+ACN+H"	42.033826
"1225560"	522.296226	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+ACN+H"	42.033826
"1209818"	261.651751	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+ACN+2H"	43.041102
"203955"	1005.49596	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+2Na-H"	44.97116
"644034"	1485.75836	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+2Na-H"	44.97116
"1144588"	525.23356	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2Na-H"	44.97116
"186424"	503.251618	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+2Na"	45.978436
"625617"	743.382818	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+2Na"	45.978436
"1129486"	263.120418	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2Na"	45.978436
"1410820"	175.749370666667	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H+2Na"	46.985712
"1436376"	527.275146	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H+HCOOH"	47.012746
"231537"	508.28464	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+3H2O+2H"	56.04448
"1517411"	541.32719	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+IsoProp+H"	61.06479
"414911"	511.238588	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+Na+K"	61.952376
"780288"	751.369788	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+Na+K"	61.952376
"1681054"	271.107388	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Na+K"	61.952376
"265338"	1024.540568	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+ACN+Na"	64.015768
"1238045"	544.278168	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+ACN+Na"	64.015768
"1727177"	544.301693	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+NH4+HCOOH"	64.039293
"1193259"	183.076684666667	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+3Na"	68.967654
"1663886"	549.257088	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Na+HCOOH"	68.994688
"171966"	1037.44384	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+2K-H"	76.91904
"612496"	1517.70624	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+2K-H"	76.91904
"1098339"	557.18144	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2K-H"	76.91904
"151023"	519.225558	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"2M+2K"	77.926316
"591677"	759.356758	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"3M+2K"	77.926316
"1083122"	279.094358	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2K"	77.926316
"1110493"	559.195992	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2K+H"	78.933592
"1346878"	559.283607	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+DMSO+H"	79.021207
"1020149"	563.322776	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2ACN+H"	83.060376
"1531346"	564.316408	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+IsoProp+Na+H"	84.054008
"996700"	282.165026	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+2ACN+2H"	84.067652
"1594486"	565.231028	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+K+HCOOH"	84.968628
"1429630"	595.262538	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+H+CF3COOH"	115.000138
"1155903"	302.678301	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+3ACN+2H"	125.094202
"1702174"	612.289085	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+NH4+CF3COOH"	132.026685
"1643295"	617.24448	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+Na+CF3COOH"	136.98208
"1577851"	633.21842	"C09327"	"Alangicine"	"C28H36N2O5"	"480.2624"	"M+K+CF3COOH"	152.95602
"804935"	475.2835	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M"	0
"978469"	456.26511	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-H2O-H"	-19.01839
"64524"	315.848390666667	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M-3H"	-3.021828
"505179"	474.276224	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M-3H"	-3.021828
"887357"	157.420557333333	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-3H"	-3.021828
"827"	474.276224	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M-2H"	-2.014552
"440628"	711.917974	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M-2H"	-2.014552
"817825"	236.634474	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-2H"	-2.014552
"82191"	949.559724	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M-H"	-1.007276
"521020"	1424.843224	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M-H"	-1.007276
"909037"	474.276224	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-H"	-1.007276
"58308"	966.586271	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M-2H+NH4"	16.019271
"494585"	1441.869771	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M-2H+NH4"	16.019271
"879803"	491.302771	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-2H+NH4"	16.019271
"45409"	971.541666	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M-2H+Na"	20.974666
"486750"	1446.825166	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M-2H+Na"	20.974666
"860935"	496.258166	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-2H+Na"	20.974666
"1633029"	496.258166	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Na-2H"	20.974666
"109641"	492.264563	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M-H+Cl"	33.962126
"549240"	729.906313	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M-H+Cl"	33.962126
"931332"	254.622813	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-H+Cl"	33.962126
"274264"	985.536402	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+Cl"	34.969402
"668871"	1460.819902	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+Cl"	34.969402
"1279088"	510.252902	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Cl"	34.969402
"26019"	987.515606	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M-2H+K"	36.948606
"460112"	1462.799106	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M-2H+K"	36.948606
"837913"	512.232106	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-2H+K"	36.948606
"1561401"	512.232106	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+K-2H"	36.948606
"948189"	520.281694	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-H+HCOOH"	44.998194
"361553"	995.565201	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+HCOOH-H"	44.998201
"346107"	1009.580851	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+Hac-H"	59.013851
"1493279"	534.297351	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Hac-H"	59.013851
"958753"	542.263651	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-H+NaCOOH"	66.980151
"110462"	510.252902	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+2Cl"	69.938804
"550385"	747.894652	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+2Cl"	69.938804
"1022464"	272.611152	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2Cl"	69.938804
"1243136"	554.202385	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Br"	78.918885
"1310336"	556.258372	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Cl+HCOOH"	80.974872
"1326741"	578.240329	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Cl+NaCOOH"	102.956829
"921082"	588.269086	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M-H+CF3COOH"	112.985586
"1299250"	624.245764	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Cl+CF3COOH"	148.962264
"1372670"	440.270824	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H-2H2O"	-35.012676
"1392353"	458.2808	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H-H2O"	-17.0027
"287665"	951.574276	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+H"	1.007276
"677169"	1426.857776	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+H"	1.007276
"1353882"	476.290776	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H"	1.007276
"128958"	476.290776	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+2H"	2.014552
"571072"	713.932526	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+2H"	2.014552
"1038041"	238.649026	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2H"	2.014552
"206312"	317.862942666667	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+3H"	3.021828
"649520"	476.290776	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+3H"	3.021828
"1166185"	159.435109333333	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+3H"	3.021828
"424715"	968.600823	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+NH4"	18.033823
"787170"	1443.884323	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+NH4"	18.033823
"1684964"	493.317323	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+NH4"	18.033823
"331416"	484.8040495	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+H+NH4"	19.041099
"723837"	722.4457995	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+H+NH4"	19.041099
"1480577"	247.1622995	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H+NH4"	19.041099
"394152"	973.556218	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+Na"	22.989218
"756235"	1448.839718	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+Na"	22.989218
"1603082"	498.272718	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Na"	22.989218
"314346"	487.281747	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+H+Na"	23.996494
"711907"	724.923497	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+H+Na"	23.996494
"1470104"	249.639997	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H+Na"	23.996494
"1063349"	166.762423333333	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2H+Na"	25.00377
"1272281"	508.316986	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+CH3OH+H"	33.033486
"392647"	989.530158	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+K"	38.963158
"753959"	1464.813658	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+K"	38.963158
"1555333"	514.246658	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+K"	38.963158
"314047"	495.268717	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+H+K"	39.970434
"706916"	732.910467	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+H+K"	39.970434
"1461105"	257.626967	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H+K"	39.970434
"251248"	992.600826	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+ACN+H"	42.033826
"1224510"	517.317326	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+ACN+H"	42.033826
"1209821"	259.162301	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+ACN+2H"	43.041102
"200535"	995.53816	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+2Na-H"	44.97116
"641918"	1470.82166	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+2Na-H"	44.97116
"1145431"	520.25466	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2Na-H"	44.97116
"187261"	498.272718	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+2Na"	45.978436
"625726"	735.914468	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+2Na"	45.978436
"1130202"	260.630968	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2Na"	45.978436
"1404369"	174.089737333333	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H+2Na"	46.985712
"1439764"	522.296246	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H+HCOOH"	47.012746
"231647"	503.30574	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+3H2O+2H"	56.04448
"1512783"	536.34829	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+IsoProp+H"	61.06479
"414292"	506.259688	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+Na+K"	61.952376
"778212"	743.901438	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+Na+K"	61.952376
"1681116"	268.617938	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Na+K"	61.952376
"262166"	1014.582768	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+ACN+Na"	64.015768
"1236698"	539.299268	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+ACN+Na"	64.015768
"1724491"	539.322793	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+NH4+HCOOH"	64.039293
"1193577"	181.417051333333	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+3Na"	68.967654
"1665052"	544.278188	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Na+HCOOH"	68.994688
"171830"	1027.48604	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+2K-H"	76.91904
"609806"	1502.76954	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+2K-H"	76.91904
"1099631"	552.20254	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2K-H"	76.91904
"151133"	514.246658	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"2M+2K"	77.926316
"591787"	751.888408	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"3M+2K"	77.926316
"1083595"	276.604908	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2K"	77.926316
"1114735"	554.217092	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2K+H"	78.933592
"1350760"	554.304707	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+DMSO+H"	79.021207
"1020382"	558.343876	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2ACN+H"	83.060376
"1533643"	559.337508	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+IsoProp+Na+H"	84.054008
"995717"	279.675576	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+2ACN+2H"	84.067652
"1597876"	560.252128	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+K+HCOOH"	84.968628
"1429814"	590.283638	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+H+CF3COOH"	115.000138
"1156013"	300.188851	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+3ACN+2H"	125.094202
"1712125"	607.310185	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+NH4+CF3COOH"	132.026685
"1646683"	612.26558	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+Na+CF3COOH"	136.98208
"1576867"	628.23952	"C09328"	"Alangimarckine"	"C29H37N3O3"	"475.2835"	"M+K+CF3COOH"	152.95602
"803222"	320.1161	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M"	0
"979672"	301.09771	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-H2O-H"	-19.01839
"65727"	212.403457333333	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M-3H"	-3.021828
"509662"	319.108824	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M-3H"	-3.021828
"888560"	105.698090666667	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-3H"	-3.021828
"3852"	319.108824	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M-2H"	-2.014552
"443049"	479.166874	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M-2H"	-2.014552
"820122"	159.050774	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-2H"	-2.014552
"83394"	639.224924	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M-H"	-1.007276
"525139"	959.341024	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M-H"	-1.007276
"909146"	319.108824	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-H"	-1.007276
"56229"	656.251471	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M-2H+NH4"	16.019271
"493602"	976.367571	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M-2H+NH4"	16.019271
"879185"	336.135371	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-2H+NH4"	16.019271
"44656"	661.206866	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M-2H+Na"	20.974666
"486856"	981.322966	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M-2H+Na"	20.974666
"859952"	341.090766	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-2H+Na"	20.974666
"1634072"	341.090766	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Na-2H"	20.974666
"109867"	337.097163	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M-H+Cl"	33.962126
"548501"	497.155213	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M-H+Cl"	33.962126
"940922"	177.039113	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-H+Cl"	33.962126
"275464"	675.201602	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+Cl"	34.969402
"668981"	995.317702	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+Cl"	34.969402
"1285758"	355.085502	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Cl"	34.969402
"26129"	677.180806	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M-2H+K"	36.948606
"463502"	997.296906	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M-2H+K"	36.948606
"838023"	357.064706	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-2H+K"	36.948606
"1562604"	357.064706	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+K-2H"	36.948606
"948299"	365.114294	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-H+HCOOH"	44.998194
"362137"	685.230401	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+HCOOH-H"	44.998201
"345739"	699.246051	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+Hac-H"	59.013851
"1492944"	379.129951	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Hac-H"	59.013851
"959354"	387.096251	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-H+NaCOOH"	66.980151
"110571"	355.085502	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+2Cl"	69.938804
"551228"	515.143552	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+2Cl"	69.938804
"1021968"	195.027452	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2Cl"	69.938804
"1242520"	399.034985	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Br"	78.918885
"1308624"	401.090972	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Cl+HCOOH"	80.974872
"1327944"	423.072929	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Cl+NaCOOH"	102.956829
"921922"	433.101686	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M-H+CF3COOH"	112.985586
"1301182"	469.078364	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Cl+CF3COOH"	148.962264
"1372780"	285.103424	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H-2H2O"	-35.012676
"1392463"	303.1134	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H-H2O"	-17.0027
"288867"	641.239476	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+H"	1.007276
"677278"	961.355576	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+H"	1.007276
"1352898"	321.123376	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H"	1.007276
"128704"	321.123376	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+2H"	2.014552
"567902"	481.181426	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+2H"	2.014552
"1038515"	161.065326	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2H"	2.014552
"206057"	214.418009333333	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+3H"	3.021828
"647077"	321.123376	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+3H"	3.021828
"1165202"	107.712642666667	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+3H"	3.021828
"425428"	658.266023	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+NH4"	18.033823
"786915"	978.382123	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+NH4"	18.033823
"1686167"	338.149923	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+NH4"	18.033823
"331891"	329.6366495	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+H+NH4"	19.041099
"724432"	489.6946995	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+H+NH4"	19.041099
"1479594"	169.5785995	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H+NH4"	19.041099
"393533"	663.221418	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+Na"	22.989218
"757075"	983.337518	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+Na"	22.989218
"1602879"	343.105318	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Na"	22.989218
"314264"	332.114347	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+H+Na"	23.996494
"710924"	492.172397	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+H+Na"	23.996494
"1469121"	172.056297	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H+Na"	23.996494
"1061273"	115.039956666667	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2H+Na"	25.00377
"1272067"	353.149586	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+CH3OH+H"	33.033486
"392470"	679.195358	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+K"	38.963158
"751273"	999.311458	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+K"	38.963158
"1554792"	359.079258	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+K"	38.963158
"313911"	340.101317	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+H+K"	39.970434
"707023"	500.159367	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+H+K"	39.970434
"1461053"	180.043267	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H+K"	39.970434
"251153"	682.266026	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+ACN+H"	42.033826
"1224621"	362.149926	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+ACN+H"	42.033826
"1209879"	181.578601	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+ACN+2H"	43.041102
"199916"	685.20336	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+2Na-H"	44.97116
"640570"	1005.31946	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+2Na-H"	44.97116
"1145175"	365.08726	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2Na-H"	44.97116
"186278"	343.105318	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+2Na"	45.978436
"622919"	503.163368	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+2Na"	45.978436
"1124237"	183.047268	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2Na"	45.978436
"1405571"	122.367270666667	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H+2Na"	46.985712
"1438781"	367.128846	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H+HCOOH"	47.012746
"225924"	348.13834	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+3H2O+2H"	56.04448
"1511070"	381.18089	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+IsoProp+H"	61.06479
"412578"	351.092288	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+Na+K"	61.952376
"773946"	511.150338	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+Na+K"	61.952376
"1680500"	191.034238	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Na+K"	61.952376
"262640"	704.247968	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+ACN+Na"	64.015768
"1237902"	384.131868	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+ACN+Na"	64.015768
"1725695"	384.155393	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+NH4+HCOOH"	64.039293
"1194098"	129.694584666667	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+3Na"	68.967654
"1665409"	389.110788	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Na+HCOOH"	68.994688
"172674"	717.15124	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+2K-H"	76.91904
"609916"	1037.26734	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+2K-H"	76.91904
"1099896"	397.03514	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2K-H"	76.91904
"151243"	359.079258	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"2M+2K"	77.926316
"589710"	519.137308	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"3M+2K"	77.926316
"1081878"	199.021208	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2K"	77.926316
"1115417"	399.049692	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2K+H"	78.933592
"1350950"	399.137307	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+DMSO+H"	79.021207
"1021332"	403.176476	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2ACN+H"	83.060376
"1533753"	404.170108	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+IsoProp+Na+H"	84.054008
"996920"	202.091876	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+2ACN+2H"	84.067652
"1597986"	405.084728	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+K+HCOOH"	84.968628
"1429486"	435.116238	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+H+CF3COOH"	115.000138
"1156123"	222.605151	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+3ACN+2H"	125.094202
"1711142"	452.142785	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+NH4+CF3COOH"	132.026685
"1646793"	457.09818	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+Na+CF3COOH"	136.98208
"1575884"	473.07212	"C09329"	"Alangimarine"	"C19H16N2O3"	"320.1161"	"M+K+CF3COOH"	152.95602
"802239"	505.1948	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M"	0
"978689"	486.17641	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-H2O-H"	-19.01839
"64744"	335.789257333333	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M-3H"	-3.021828
"506492"	504.187524	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M-3H"	-3.021828
"888670"	167.390990666667	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-3H"	-3.021828
"3233"	504.187524	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M-2H"	-2.014552
"442429"	756.784924	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M-2H"	-2.014552
"819504"	251.590124	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-2H"	-2.014552
"84598"	1009.382324	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M-H"	-1.007276
"524156"	1514.577124	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M-H"	-1.007276
"908406"	504.187524	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-H"	-1.007276
"54152"	1026.408871	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M-2H+NH4"	16.019271
"492618"	1531.603671	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M-2H+NH4"	16.019271
"878566"	521.214071	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-2H+NH4"	16.019271
"44522"	1031.364266	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M-2H+Na"	20.974666
"486031"	1536.559066	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M-2H+Na"	20.974666
"860062"	526.169466	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-2H+Na"	20.974666
"1629599"	526.169466	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Na-2H"	20.974666
"103939"	522.175863	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M-H+Cl"	33.962126
"542406"	774.773263	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M-H+Cl"	33.962126
"940296"	269.578463	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-H+Cl"	33.962126
"278854"	1045.359002	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+Cl"	34.969402
"665811"	1550.553802	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+Cl"	34.969402
"1279308"	540.164202	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Cl"	34.969402
"20771"	1047.338206	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M-2H+K"	36.948606
"455745"	1552.533006	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M-2H+K"	36.948606
"832898"	542.143406	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-2H+K"	36.948606
"1555616"	542.143406	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+K-2H"	36.948606
"942986"	550.192994	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-H+HCOOH"	44.998194
"362288"	1055.387801	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+HCOOH-H"	44.998201
"346857"	1069.403451	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+Hac-H"	59.013851
"1493867"	564.208651	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Hac-H"	59.013851
"963598"	572.174951	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-H+NaCOOH"	66.980151
"111775"	540.164202	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+2Cl"	69.938804
"551702"	792.761602	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+2Cl"	69.938804
"1023172"	287.566802	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2Cl"	69.938804
"1243722"	584.113685	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Br"	78.918885
"1308370"	586.169672	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Cl+HCOOH"	80.974872
"1328054"	608.151629	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Cl+NaCOOH"	102.956829
"924218"	618.180386	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M-H+CF3COOH"	112.985586
"1296916"	654.157064	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Cl+CF3COOH"	148.962264
"1371795"	470.182124	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H-2H2O"	-35.012676
"1387106"	488.1921	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H-H2O"	-17.0027
"287518"	1011.396876	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+H"	1.007276
"676416"	1516.591676	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+H"	1.007276
"1352515"	506.202076	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H"	1.007276
"127355"	506.202076	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+2H"	2.014552
"567281"	758.799476	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+2H"	2.014552
"1040082"	253.604676	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2H"	2.014552
"206166"	337.803809333333	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+3H"	3.021828
"648646"	506.202076	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+3H"	3.021828
"1166040"	169.405542666667	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+3H"	3.021828
"428948"	1028.423423	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+NH4"	18.033823
"794319"	1533.618223	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+NH4"	18.033823
"1686277"	523.228623	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+NH4"	18.033823
"333096"	514.7153495	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+H+NH4"	19.041099
"724906"	767.3127495	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+H+NH4"	19.041099
"1478245"	262.1179495	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H+NH4"	19.041099
"395103"	1033.378818	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+Na"	22.989218
"756457"	1538.573618	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+Na"	22.989218
"1603345"	528.184018	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Na"	22.989218
"314797"	517.193047	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+H+Na"	23.996494
"712127"	769.790447	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+H+Na"	23.996494
"1472147"	264.595647	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H+Na"	23.996494
"1061383"	176.732856666667	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2H+Na"	25.00377
"1266344"	538.228286	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+CH3OH+H"	33.033486
"387106"	1049.352758	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+K"	38.963158
"748103"	1554.547558	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+K"	38.963158
"1552346"	544.157958	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+K"	38.963158
"311345"	525.180017	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+H+K"	39.970434
"702673"	777.777417	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+H+K"	39.970434
"1461082"	272.582617	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H+K"	39.970434
"251182"	1052.423426	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+ACN+H"	42.033826
"1225538"	547.228626	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+ACN+H"	42.033826
"1209469"	274.117951	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+ACN+2H"	43.041102
"199663"	1055.36076	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+2Na-H"	44.97116
"643724"	1560.55556	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+2Na-H"	44.97116
"1144556"	550.16596	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2Na-H"	44.97116
"186754"	528.184018	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+2Na"	45.978436
"624122"	780.781418	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+2Na"	45.978436
"1129087"	275.586618	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2Na"	45.978436
"1403497"	184.060170666667	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H+2Na"	46.985712
"1435612"	552.207546	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H+HCOOH"	47.012746
"223849"	533.21704	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+3H2O+2H"	56.04448
"1513373"	566.25959	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+IsoProp+H"	61.06479
"416341"	536.170988	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+Na+K"	61.952376
"774056"	788.768388	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+Na+K"	61.952376
"1680002"	283.573588	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Na+K"	61.952376
"263113"	1074.405368	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+ACN+Na"	64.015768
"1238010"	569.210568	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+ACN+Na"	64.015768
"1724710"	569.234093	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+NH4+HCOOH"	64.039293
"1192618"	191.387484666667	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+3Na"	68.967654
"1664334"	574.189488	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Na+HCOOH"	68.994688
"171558"	1087.30864	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+2K-H"	76.91904
"606743"	1592.50344	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+2K-H"	76.91904
"1094537"	582.11384	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2K-H"	76.91904
"148072"	544.157958	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"2M+2K"	77.926316
"589820"	796.755358	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"3M+2K"	77.926316
"1076520"	291.560558	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2K"	77.926316
"1115202"	584.128392	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2K+H"	78.933592
"1350736"	584.216007	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+DMSO+H"	79.021207
"1021255"	588.255176	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2ACN+H"	83.060376
"1534956"	589.248808	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+IsoProp+Na+H"	84.054008
"998124"	294.631226	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+2ACN+2H"	84.067652
"1600283"	590.163428	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+K+HCOOH"	84.968628
"1416103"	620.194938	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+H+CF3COOH"	115.000138
"1149671"	315.144501	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+3ACN+2H"	125.094202
"1702502"	637.221485	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+NH4+CF3COOH"	132.026685
"1646903"	642.17688	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+Na+CF3COOH"	136.98208
"1577087"	658.15082	"C09330"	"Alangiside"	"C25H31NO10"	"505.1948"	"M+K+CF3COOH"	152.95602
"805267"	415.1995	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M"	0
"982080"	396.18111	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-H2O-H"	-19.01839
"76521"	275.792390666667	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M-3H"	-3.021828
"514260"	414.192224	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M-3H"	-3.021828
"885500"	137.392557333333	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-3H"	-3.021828
"3344"	414.192224	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M-2H"	-2.014552
"442542"	621.791974	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M-2H"	-2.014552
"821437"	206.592474	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-2H"	-2.014552
"83615"	829.391724	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M-H"	-1.007276
"525360"	1244.591224	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M-H"	-1.007276
"903170"	414.192224	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-H"	-1.007276
"57543"	846.418271	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M-2H+NH4"	16.019271
"492728"	1261.617771	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M-2H+NH4"	16.019271
"871623"	431.218771	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-2H+NH4"	16.019271
"40255"	851.373666	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M-2H+Na"	20.974666
"482371"	1266.573166	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M-2H+Na"	20.974666
"851427"	436.174166	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-2H+Na"	20.974666
"1620960"	436.174166	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Na-2H"	20.974666
"101865"	432.180563	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M-H+Cl"	33.962126
"543613"	639.780313	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M-H+Cl"	33.962126
"940043"	224.580813	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-H+Cl"	33.962126
"275684"	865.368402	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+Cl"	34.969402
"665922"	1280.567902	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+Cl"	34.969402
"1279419"	450.168902	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Cl"	34.969402
"19788"	867.347606	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M-2H+K"	36.948606
"457160"	1282.547106	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M-2H+K"	36.948606
"833137"	452.148106	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-2H+K"	36.948606
"1555663"	452.148106	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+K-2H"	36.948606
"942936"	460.197694	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-H+HCOOH"	44.998194
"362480"	875.397201	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+HCOOH-H"	44.998201
"346356"	889.412851	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+Hac-H"	59.013851
"1494343"	474.213351	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Hac-H"	59.013851
"961521"	482.179651	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-H+NaCOOH"	66.980151
"112616"	450.168902	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+2Cl"	69.938804
"552177"	657.768652	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+2Cl"	69.938804
"1024256"	242.569152	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2Cl"	69.938804
"1246020"	494.118385	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Br"	78.918885
"1308480"	496.174372	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Cl+HCOOH"	80.974872
"1324884"	518.156329	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Cl+NaCOOH"	102.956829
"924694"	528.185086	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M-H+CF3COOH"	112.985586
"1302495"	564.161764	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Cl+CF3COOH"	148.962264
"1369720"	380.186824	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H-2H2O"	-35.012676
"1387216"	398.1968	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H-H2O"	-17.0027
"285078"	831.406276	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+H"	1.007276
"676769"	1246.605776	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+H"	1.007276
"1351412"	416.206776	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H"	1.007276
"128558"	416.206776	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+2H"	2.014552
"568486"	623.806526	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+2H"	2.014552
"1037888"	208.607026	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2H"	2.014552
"206641"	277.806942666667	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+3H"	3.021828
"647293"	416.206776	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+3H"	3.021828
"1166513"	139.407109333333	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+3H"	3.021828
"429422"	848.432823	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+NH4"	18.033823
"792242"	1263.632323	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+NH4"	18.033823
"1686389"	433.233323	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+NH4"	18.033823
"336852"	424.7200495	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+H+NH4"	19.041099
"727085"	632.3197995	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+H+NH4"	19.041099
"1478352"	217.1202995	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H+NH4"	19.041099
"394484"	853.388218	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+Na"	22.989218
"755112"	1268.587718	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+Na"	22.989218
"1603209"	438.188718	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Na"	22.989218
"315314"	427.197747	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+H+Na"	23.996494
"710050"	634.797497	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+H+Na"	23.996494
"1470434"	219.597997	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H+Na"	23.996494
"1061493"	146.734423333333	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2H+Na"	25.00377
"1269007"	448.232986	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+CH3OH+H"	33.033486
"391836"	869.362158	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+K"	38.963158
"752588"	1284.561658	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+K"	38.963158
"1554281"	454.162658	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+K"	38.963158
"311091"	435.184717	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+H+K"	39.970434
"702052"	642.784467	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+H+K"	39.970434
"1460376"	227.584967	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H+K"	39.970434
"250075"	872.432826	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+ACN+H"	42.033826
"1222656"	457.233326	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+ACN+H"	42.033826
"1207268"	229.120301	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+ACN+2H"	43.041102
"203667"	875.37016	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+2Na-H"	44.97116
"642865"	1290.56966	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+2Na-H"	44.97116
"1145637"	460.17066	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2Na-H"	44.97116
"182487"	438.188718	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+2Na"	45.978436
"620952"	645.788468	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+2Na"	45.978436
"1126644"	230.588968	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2Na"	45.978436
"1406887"	154.061737333333	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H+2Na"	46.985712
"1437909"	462.212246	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H+HCOOH"	47.012746
"224327"	443.22174	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+3H2O+2H"	56.04448
"1515671"	476.26429	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+IsoProp+H"	61.06479
"413171"	446.175688	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+Na+K"	61.952376
"773073"	653.775438	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+Na+K"	61.952376
"1678165"	238.575938	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Na+K"	61.952376
"264320"	894.414768	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+ACN+Na"	64.015768
"1237394"	479.215268	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+ACN+Na"	64.015768
"1725187"	479.238793	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+NH4+HCOOH"	64.039293
"1191634"	161.389051333333	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+3Na"	68.967654
"1661525"	484.194188	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Na+HCOOH"	68.994688
"169480"	907.31804	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+2K-H"	76.91904
"606854"	1322.51754	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+2K-H"	76.91904
"1097927"	492.11854	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2K-H"	76.91904
"155841"	454.162658	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"2M+2K"	77.926316
"595399"	661.762408	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"3M+2K"	77.926316
"1083563"	246.562908	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2K"	77.926316
"1113121"	494.133092	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2K+H"	78.933592
"1349629"	494.220707	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+DMSO+H"	79.021207
"1015850"	498.259876	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2ACN+H"	83.060376
"1533974"	499.253508	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+IsoProp+Na+H"	84.054008
"998236"	249.633576	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+2ACN+2H"	84.067652
"1593834"	500.168128	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+K+HCOOH"	84.968628
"1424962"	530.199638	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+H+CF3COOH"	115.000138
"1148689"	270.146851	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+3ACN+2H"	125.094202
"1711853"	547.226185	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+NH4+CF3COOH"	132.026685
"1647013"	552.18158	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+Na+CF3COOH"	136.98208
"1576104"	568.15552	"C09331"	"Alpinine"	"C23H29NO6"	"415.1995"	"M+K+CF3COOH"	152.95602
"802095"	574.2136	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M"	0
"982190"	555.19521	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-H2O-H"	-19.01839
"76995"	381.801790666667	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M-3H"	-3.021828
"514370"	573.206324	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M-3H"	-3.021828
"885610"	190.397257333333	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-3H"	-3.021828
"5275"	573.206324	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M-2H"	-2.014552
"441678"	860.313124	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M-2H"	-2.014552
"821547"	286.099524	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-2H"	-2.014552
"82632"	1147.419924	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M-H"	-1.007276
"525470"	1721.633524	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M-H"	-1.007276
"905466"	573.206324	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-H"	-1.007276
"55466"	1164.446471	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M-2H+NH4"	16.019271
"493931"	1738.660071	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M-2H+NH4"	16.019271
"870639"	590.232871	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-2H+NH4"	16.019271
"40729"	1169.401866	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M-2H+Na"	20.974666
"482481"	1743.615466	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M-2H+Na"	20.974666
"852630"	595.188266	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-2H+Na"	20.974666
"1622163"	595.188266	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Na-2H"	20.974666
"103068"	591.194663	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M-H+Cl"	33.962126
"542629"	878.301463	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M-H+Cl"	33.962126
"940517"	304.087863	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-H+Cl"	33.962126
"275794"	1183.396602	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+Cl"	34.969402
"668216"	1757.610202	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+Cl"	34.969402
"1276249"	609.183002	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Cl"	34.969402
"18805"	1185.375806	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M-2H+K"	36.948606
"457755"	1759.589406	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M-2H+K"	36.948606
"833612"	611.162206	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-2H+K"	36.948606
"1555997"	611.162206	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+K-2H"	36.948606
"944005"	619.211794	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-H+HCOOH"	44.998194
"362832"	1193.425401	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+HCOOH-H"	44.998201
"347078"	1207.441051	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+Hac-H"	59.013851
"1498827"	633.227451	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Hac-H"	59.013851
"964911"	641.193751	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-H+NaCOOH"	66.980151
"113452"	609.183002	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+2Cl"	69.938804
"553380"	896.289802	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+2Cl"	69.938804
"1024730"	322.076202	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2Cl"	69.938804
"1245036"	653.132485	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Br"	78.918885
"1308225"	655.188472	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Cl+HCOOH"	80.974872
"1325358"	677.170429	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Cl+NaCOOH"	102.956829
"925532"	687.199186	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M-H+CF3COOH"	112.985586
"1302969"	723.175864	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Cl+CF3COOH"	148.962264
"1370923"	539.200924	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H-2H2O"	-35.012676
"1387326"	557.2109	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H-H2O"	-17.0027
"286645"	1149.434476	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+H"	1.007276
"677971"	1723.648076	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+H"	1.007276
"1351768"	575.220876	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H"	1.007276
"129032"	575.220876	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+2H"	2.014552
"568592"	862.327676	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+2H"	2.014552
"1037629"	288.114076	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2H"	2.014552
"206019"	383.816342666667	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+3H"	3.021828
"646310"	575.220876	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+3H"	3.021828
"1164436"	192.411809333333	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+3H"	3.021828
"426613"	1166.461023	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+NH4"	18.033823
"792352"	1740.674623	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+NH4"	18.033823
"1686498"	592.247423	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+NH4"	18.033823
"333315"	583.7341495	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+H+NH4"	19.041099
"725008"	870.8409495	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+H+NH4"	19.041099
"1477734"	296.6273495	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H+NH4"	19.041099
"393252"	1171.416418	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+Na"	22.989218
"754730"	1745.630018	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+Na"	22.989218
"1602761"	597.202818	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Na"	22.989218
"314323"	586.211847	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+H+Na"	23.996494
"709065"	873.318647	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+H+Na"	23.996494
"1465073"	299.105047	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H+Na"	23.996494
"1060506"	199.739123333333	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2H+Na"	25.00377
"1267290"	607.247086	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+CH3OH+H"	33.033486
"390607"	1187.390358	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+K"	38.963158
"748323"	1761.603958	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+K"	38.963158
"1555119"	613.176758	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+K"	38.963158
"313021"	594.198817	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+H+K"	39.970434
"701069"	881.305617	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+H+K"	39.970434
"1460855"	307.092017	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H+K"	39.970434
"251114"	1190.461026	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+ACN+H"	42.033826
"1221672"	616.247426	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+ACN+H"	42.033826
"1206650"	308.627351	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+ACN+2H"	43.041102
"200977"	1193.39836	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+2Na-H"	44.97116
"643333"	1767.61196	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+2Na-H"	44.97116
"1143680"	619.18476	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2Na-H"	44.97116
"183689"	597.202818	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+2Na"	45.978436
"618876"	884.309618	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+2Na"	45.978436
"1123474"	310.096018	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2Na"	45.978436
"1410277"	207.066437333333	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H+2Na"	46.985712
"1438018"	621.226346	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H+HCOOH"	47.012746
"226623"	602.23584	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+3H2O+2H"	56.04448
"1514688"	635.27839	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+IsoProp+H"	61.06479
"413281"	605.189788	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+Na+K"	61.952376
"772088"	892.296588	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+Na+K"	61.952376
"1674990"	318.082988	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Na+K"	61.952376
"264426"	1212.442968	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+ACN+Na"	64.015768
"1239932"	638.229368	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+ACN+Na"	64.015768
"1727847"	638.252893	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+NH4+HCOOH"	64.039293
"1189553"	214.393751333333	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+3Na"	68.967654
"1655072"	643.208288	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Na+HCOOH"	68.994688
"165216"	1225.34624	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+2K-H"	76.91904
"606964"	1799.55984	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+2K-H"	76.91904
"1098037"	651.13264	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2K-H"	76.91904
"154491"	613.176758	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"2M+2K"	77.926316
"596728"	900.283558	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"3M+2K"	77.926316
"1083917"	326.069958	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2K"	77.926316
"1113231"	653.147192	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2K+H"	78.933592
"1349982"	653.234807	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+DMSO+H"	79.021207
"1013773"	657.273976	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2ACN+H"	83.060376
"1535177"	658.267608	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+IsoProp+Na+H"	84.054008
"998346"	329.140626	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+2ACN+2H"	84.067652
"1593944"	659.182228	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+K+HCOOH"	84.968628
"1425072"	689.213738	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+H+CF3COOH"	115.000138
"1148799"	349.653901	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+3ACN+2H"	125.094202
"1712085"	706.240285	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+NH4+CF3COOH"	132.026685
"1643843"	711.19568	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+Na+CF3COOH"	136.98208
"1576214"	727.16962	"C09332"	"THF-L-glutamate;Tetrahydropteroyldiglutamate;(6S)-H4PteGlu2"	"C24H30N8O9"	"574.2136"	"M+K+CF3COOH"	152.95602
"802933"	325.1314	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M"	0
"982300"	306.11301	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-H2O-H"	-19.01839
"77471"	215.746990666667	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M-3H"	-3.021828
"514480"	324.124124	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M-3H"	-3.021828
"890093"	107.369857333333	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-3H"	-3.021828
"5387"	324.124124	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M-2H"	-2.014552
"446042"	486.689824	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M-2H"	-2.014552
"826031"	161.558424	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-2H"	-2.014552
"84929"	649.255524	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M-H"	-1.007276
"525581"	974.386924	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M-H"	-1.007276
"904476"	324.124124	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-H"	-1.007276
"52292"	666.282071	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M-2H+NH4"	16.019271
"492945"	991.413471	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M-2H+NH4"	16.019271
"872931"	341.150671	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-2H+NH4"	16.019271
"45578"	671.237466	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M-2H+Na"	20.974666
"482585"	996.368866	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M-2H+Na"	20.974666
"856011"	346.106066	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-2H+Na"	20.974666
"1628827"	346.106066	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Na-2H"	20.974666
"102084"	342.112463	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M-H+Cl"	33.962126
"542739"	504.678163	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M-H+Cl"	33.962126
"934067"	179.546763	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-H+Cl"	33.962126
"274810"	685.232202	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+Cl"	34.969402
"667232"	1010.363602	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+Cl"	34.969402
"1274657"	360.100802	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Cl"	34.969402
"20008"	687.211406	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M-2H+K"	36.948606
"458108"	1012.342806	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M-2H+K"	36.948606
"834085"	362.080006	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-2H+K"	36.948606
"1557078"	362.080006	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+K-2H"	36.948606
"943747"	370.129594	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-H+HCOOH"	44.998194
"363307"	695.261001	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+HCOOH-H"	44.998201
"348282"	709.276651	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+Hac-H"	59.013851
"1499301"	384.145251	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Hac-H"	59.013851
"963562"	392.111551	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-H+NaCOOH"	66.980151
"112103"	360.100802	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+2Cl"	69.938804
"555678"	522.666502	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+2Cl"	69.938804
"1024839"	197.535102	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2Cl"	69.938804
"1245147"	404.050285	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Br"	78.918885
"1310522"	406.106272	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Cl+HCOOH"	80.974872
"1325468"	428.088229	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Cl+NaCOOH"	102.956829
"917256"	438.116986	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M-H+CF3COOH"	112.985586
"1291411"	474.093664	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Cl+CF3COOH"	148.962264
"1373220"	290.118724	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H-2H2O"	-35.012676
"1387436"	308.1287	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H-H2O"	-17.0027
"284203"	651.270076	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+H"	1.007276
"676986"	976.401476	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+H"	1.007276
"1353335"	326.138676	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H"	1.007276
"127683"	326.138676	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+2H"	2.014552
"566311"	488.704376	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+2H"	2.014552
"1038956"	163.572976	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2H"	2.014552
"205765"	217.761542666667	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+3H"	3.021828
"648245"	326.138676	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+3H"	3.021828
"1166369"	109.384409333333	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+3H"	3.021828
"428182"	668.296623	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+NH4"	18.033823
"793555"	993.428023	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+NH4"	18.033823
"1683693"	343.165223	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+NH4"	18.033823
"331968"	334.6519495	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+H+NH4"	19.041099
"725482"	497.2176495	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+H+NH4"	19.041099
"1477399"	172.0862495	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H+NH4"	19.041099
"393203"	673.252018	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+Na"	22.989218
"755455"	998.383418	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+Na"	22.989218
"1603430"	348.120618	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Na"	22.989218
"316752"	337.129647	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+H+Na"	23.996494
"709175"	499.695347	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+H+Na"	23.996494
"1462749"	174.563947	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H+Na"	23.996494
"1055147"	116.711723333333	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2H+Na"	25.00377
"1262296"	358.164886	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+CH3OH+H"	33.033486
"388166"	689.225958	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+K"	38.963158
"747339"	1014.357358	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+K"	38.963158
"1546110"	364.094558	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+K"	38.963158
"312889"	345.116617	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+H+K"	39.970434
"702272"	507.682317	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+H+K"	39.970434
"1461269"	182.550917	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H+K"	39.970434
"251261"	692.296626	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+ACN+H"	42.033826
"1223966"	367.165226	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+ACN+H"	42.033826
"1207853"	184.086251	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+ACN+2H"	43.041102
"203881"	695.23396	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+2Na-H"	44.97116
"644203"	1020.36536	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+2Na-H"	44.97116
"1145613"	370.10256	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2Na-H"	44.97116
"184894"	348.120618	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+2Na"	45.978436
"623359"	510.686318	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+2Na"	45.978436
"1126864"	185.554918	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2Na"	45.978436
"1412574"	124.039037333333	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H+2Na"	46.985712
"1442503"	372.144146	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H+HCOOH"	47.012746
"226733"	353.15364	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+3H2O+2H"	56.04448
"1515890"	386.19619	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+IsoProp+H"	61.06479
"414484"	356.107588	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+Na+K"	61.952376
"773294"	518.673288	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+Na+K"	61.952376
"1675099"	193.541888	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Na+K"	61.952376
"264537"	714.278568	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+ACN+Na"	64.015768
"1236516"	389.147168	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+ACN+Na"	64.015768
"1726131"	389.170693	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+NH4+HCOOH"	64.039293
"1185287"	131.366351333333	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+3Na"	68.967654
"1656275"	394.126088	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Na+HCOOH"	68.994688
"163139"	727.18184	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+2K-H"	76.91904
"607074"	1052.31324	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+2K-H"	76.91904
"1098026"	402.05044	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2K-H"	76.91904
"154965"	364.094558	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"2M+2K"	77.926316
"596717"	526.660258	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"3M+2K"	77.926316
"1083781"	201.528858	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2K"	77.926316
"1114438"	404.064992	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2K+H"	78.933592
"1350336"	404.152607	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+DMSO+H"	79.021207
"1018257"	408.191776	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2ACN+H"	83.060376
"1532007"	409.185408	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+IsoProp+Na+H"	84.054008
"996269"	204.599526	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+2ACN+2H"	84.067652
"1594054"	410.100028	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+K+HCOOH"	84.968628
"1425182"	440.131538	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+H+CF3COOH"	115.000138
"1148909"	225.112801	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+3ACN+2H"	125.094202
"1712193"	457.158085	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+NH4+CF3COOH"	132.026685
"1643953"	462.11348	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+Na+CF3COOH"	136.98208
"1576324"	478.08742	"C09333"	"Amurensine"	"C19H19NO4"	"325.1314"	"M+K+CF3COOH"	152.95602
"802436"	325.1314	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M"	0
"979130"	306.11301	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-H2O-H"	-19.01839
"77580"	215.746990666667	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M-3H"	-3.021828
"513497"	324.124124	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M-3H"	-3.021828
"885830"	107.369857333333	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-3H"	-3.021828
"3309"	324.124124	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M-2H"	-2.014552
"443236"	486.689824	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M-2H"	-2.014552
"822862"	161.558424	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-2H"	-2.014552
"83946"	649.255524	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M-H"	-1.007276
"523504"	974.386924	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M-H"	-1.007276
"901306"	324.124124	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-H"	-1.007276
"50216"	666.282071	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M-2H+NH4"	16.019271
"494149"	991.413471	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M-2H+NH4"	16.019271
"871948"	341.150671	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-2H+NH4"	16.019271
"46052"	671.237466	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M-2H+Na"	20.974666
"481602"	996.368866	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M-2H+Na"	20.974666
"855028"	346.106066	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-2H+Na"	20.974666
"1626750"	346.106066	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Na-2H"	20.974666
"96726"	342.112463	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M-H+Cl"	33.962126
"545035"	504.678163	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M-H+Cl"	33.962126
"935270"	179.546763	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-H+Cl"	33.962126
"273826"	685.232202	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+Cl"	34.969402
"666249"	1010.363602	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+Cl"	34.969402
"1276469"	360.100802	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Cl"	34.969402
"20118"	687.211406	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M-2H+K"	36.948606
"460772"	1012.342806	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M-2H+K"	36.948606
"836019"	362.080006	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-2H+K"	36.948606
"1555640"	362.080006	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+K-2H"	36.948606
"943253"	370.129594	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-H+HCOOH"	44.998194
"363415"	695.261001	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+HCOOH-H"	44.998201
"348027"	709.276651	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+Hac-H"	59.013851
"1497224"	384.145251	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Hac-H"	59.013851
"965130"	392.111551	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-H+NaCOOH"	66.980151
"112579"	360.100802	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+2Cl"	69.938804
"550923"	522.666502	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+2Cl"	69.938804
"1026773"	197.535102	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2Cl"	69.938804
"1245257"	404.050285	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Br"	78.918885
"1307713"	406.106272	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Cl+HCOOH"	80.974872
"1326671"	428.088229	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Cl+NaCOOH"	102.956829
"918459"	438.116986	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M-H+CF3COOH"	112.985586
"1291885"	474.093664	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Cl+CF3COOH"	148.962264
"1375516"	290.118724	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H-2H2O"	-35.012676
"1388639"	308.1287	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H-H2O"	-17.0027
"285406"	651.270076	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+H"	1.007276
"676365"	976.401476	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+H"	1.007276
"1353446"	326.138676	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H"	1.007276
"129981"	326.138676	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+2H"	2.014552
"567476"	488.704376	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+2H"	2.014552
"1039432"	163.572976	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2H"	2.014552
"206605"	217.761542666667	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+3H"	3.021828
"650178"	326.138676	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+3H"	3.021828
"1166115"	109.384409333333	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+3H"	3.021828
"429387"	668.296623	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+NH4"	18.033823
"793665"	993.428023	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+NH4"	18.033823
"1684532"	343.165223	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+NH4"	18.033823
"333903"	334.6519495	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+H+NH4"	19.041099
"724257"	497.2176495	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+H+NH4"	19.041099
"1477218"	172.0862495	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H+NH4"	19.041099
"392986"	673.252018	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+Na"	22.989218
"757631"	998.383418	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+Na"	22.989218
"1603095"	348.120618	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Na"	22.989218
"319049"	337.129647	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+H+Na"	23.996494
"710378"	499.695347	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+H+Na"	23.996494
"1464197"	174.563947	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H+Na"	23.996494
"1056350"	116.711723333333	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2H+Na"	25.00377
"1262403"	358.164886	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+CH3OH+H"	33.033486
"388276"	689.225958	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+K"	38.963158
"750729"	1014.357358	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+K"	38.963158
"1544034"	364.094558	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+K"	38.963158
"312877"	345.116617	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+H+K"	39.970434
"706392"	507.682317	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+H+K"	39.970434
"1460219"	182.550917	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H+K"	39.970434
"250519"	692.296626	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+ACN+H"	42.033826
"1221889"	367.165226	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+ACN+H"	42.033826
"1207960"	184.086251	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+ACN+2H"	43.041102
"201923"	695.23396	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+2Na-H"	44.97116
"639296"	1020.36536	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+2Na-H"	44.97116
"1146451"	370.10256	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2Na-H"	44.97116
"178442"	348.120618	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+2Na"	45.978436
"623470"	510.686318	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+2Na"	45.978436
"1125882"	185.554918	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2Na"	45.978436
"1410498"	124.039037333333	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H+2Na"	46.985712
"1442613"	372.144146	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H+HCOOH"	47.012746
"226843"	353.15364	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+3H2O+2H"	56.04448
"1516000"	386.19619	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+IsoProp+H"	61.06479
"413501"	356.107588	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+Na+K"	61.952376
"775591"	518.673288	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+Na+K"	61.952376
"1677395"	193.541888	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Na+K"	61.952376
"265376"	714.278568	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+ACN+Na"	64.015768
"1240760"	389.147168	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+ACN+Na"	64.015768
"1726970"	389.170693	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+NH4+HCOOH"	64.039293
"1186491"	131.366351333333	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+3Na"	68.967654
"1659666"	394.126088	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Na+HCOOH"	68.994688
"163249"	727.18184	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+2K-H"	76.91904
"606091"	1052.31324	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+2K-H"	76.91904
"1089509"	402.05044	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2K-H"	76.91904
"155075"	364.094558	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"2M+2K"	77.926316
"596096"	526.660258	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"3M+2K"	77.926316
"1083648"	201.528858	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2K"	77.926316
"1114790"	404.064992	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2K+H"	78.933592
"1351138"	404.152607	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+DMSO+H"	79.021207
"1019218"	408.191776	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2ACN+H"	83.060376
"1531024"	409.185408	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+IsoProp+Na+H"	84.054008
"996379"	204.599526	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+2ACN+2H"	84.067652
"1594164"	410.100028	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+K+HCOOH"	84.968628
"1425292"	440.131538	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+H+CF3COOH"	115.000138
"1149019"	225.112801	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+3ACN+2H"	125.094202
"1712627"	457.158085	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+NH4+CF3COOH"	132.026685
"1644063"	462.11348	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+Na+CF3COOH"	136.98208
"1576434"	478.08742	"C09334"	"Amurine"	"C19H19NO4"	"325.1314"	"M+K+CF3COOH"	152.95602
"805705"	407.2097	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M"	0
"981427"	388.19131	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-H2O-H"	-19.01839
"76232"	270.465857333333	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M-3H"	-3.021828
"512514"	406.202424	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M-3H"	-3.021828
"885940"	134.729290666667	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-3H"	-3.021828
"4512"	406.202424	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M-2H"	-2.014552
"447352"	609.807274	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M-2H"	-2.014552
"824064"	202.597574	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-2H"	-2.014552
"81869"	813.412124	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M-H"	-1.007276
"524707"	1220.621824	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M-H"	-1.007276
"900686"	406.202424	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-H"	-1.007276
"52511"	830.438671	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M-2H+NH4"	16.019271
"490977"	1237.648371	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M-2H+NH4"	16.019271
"869871"	423.228971	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-2H+NH4"	16.019271
"45433"	835.394066	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M-2H+Na"	20.974666
"480619"	1242.603766	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M-2H+Na"	20.974666
"854045"	428.184366	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-2H+Na"	20.974666
"1625768"	428.184366	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Na-2H"	20.974666
"102304"	424.190763	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M-H+Cl"	33.962126
"545146"	627.795613	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M-H+Cl"	33.962126
"938661"	220.585913	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-H+Cl"	33.962126
"272843"	849.388802	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+Cl"	34.969402
"669639"	1256.598502	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+Cl"	34.969402
"1277672"	442.179102	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Cl"	34.969402
"20228"	851.368006	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M-2H+K"	36.948606
"460882"	1258.577706	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M-2H+K"	36.948606
"834307"	444.158306	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-2H+K"	36.948606
"1556082"	444.158306	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+K-2H"	36.948606
"942955"	452.207894	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-H+HCOOH"	44.998194
"362433"	859.417601	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+HCOOH-H"	44.998201
"347408"	873.433251	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+Hac-H"	59.013851
"1495875"	466.223551	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Hac-H"	59.013851
"963053"	474.189851	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-H+NaCOOH"	66.980151
"112689"	442.179102	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+2Cl"	69.938804
"551886"	645.783952	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+2Cl"	69.938804
"1025058"	238.574252	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2Cl"	69.938804
"1244274"	486.128585	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Br"	78.918885
"1307823"	488.184572	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Cl+HCOOH"	80.974872
"1322040"	510.166529	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Cl+NaCOOH"	102.956829
"913464"	520.195286	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M-H+CF3COOH"	112.985586
"1292723"	556.171964	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Cl+CF3COOH"	148.962264
"1372346"	372.197024	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H-2H2O"	-35.012676
"1387289"	390.207	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H-H2O"	-17.0027
"285152"	815.426676	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+H"	1.007276
"675909"	1222.636376	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+H"	1.007276
"1353189"	408.216976	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H"	1.007276
"127904"	408.216976	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+2H"	2.014552
"568560"	611.821826	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+2H"	2.014552
"1039180"	204.612126	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2H"	2.014552
"205016"	272.480409333333	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+3H"	3.021828
"653568"	408.216976	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+3H"	3.021828
"1167684"	136.743842666667	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+3H"	3.021828
"429497"	832.453223	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+NH4"	18.033823
"793775"	1239.662923	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+NH4"	18.033823
"1683549"	425.243523	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+NH4"	18.033823
"331827"	416.7302495	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+H+NH4"	19.041099
"723879"	620.3350995	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+H+NH4"	19.041099
"1477579"	213.1253995	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H+NH4"	19.041099
"393708"	837.408618	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+Na"	22.989218
"757740"	1244.618318	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+Na"	22.989218
"1602961"	430.198918	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Na"	22.989218
"315878"	419.207947	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+H+Na"	23.996494
"708301"	622.812797	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+H+Na"	23.996494
"1462241"	215.603097	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H+Na"	23.996494
"1055366"	144.071156666667	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2H+Na"	25.00377
"1262513"	440.243186	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+CH3OH+H"	33.033486
"387657"	853.382558	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+K"	38.963158
"745372"	1260.592258	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+K"	38.963158
"1544143"	446.172858	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+K"	38.963158
"311892"	427.194917	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+H+K"	39.970434
"705410"	630.799767	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+H+K"	39.970434
"1459599"	223.590067	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H+K"	39.970434
"250021"	856.453226	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+ACN+H"	42.033826
"1221635"	449.243526	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+ACN+H"	42.033826
"1204790"	225.125401	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+ACN+2H"	43.041102
"199848"	859.39056	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+2Na-H"	44.97116
"638313"	1266.60026	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+2Na-H"	44.97116
"1143282"	452.18086	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2Na-H"	44.97116
"176367"	430.198918	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+2Na"	45.978436
"617019"	633.803768	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+2Na"	45.978436
"1122711"	226.594068	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2Na"	45.978436
"1407330"	151.398470666667	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H+2Na"	46.985712
"1440538"	454.222446	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H+HCOOH"	47.012746
"222579"	435.23194	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+3H2O+2H"	56.04448
"1510275"	468.27449	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+IsoProp+H"	61.06479
"414701"	438.185888	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+Na+K"	61.952376
"774608"	641.790738	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+Na+K"	61.952376
"1674225"	234.581038	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Na+K"	61.952376
"260745"	878.435168	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+ACN+Na"	64.015768
"1233455"	471.225468	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+ACN+Na"	64.015768
"1726713"	471.248993	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+NH4+HCOOH"	64.039293
"1183322"	158.725784666667	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+3Na"	68.967654
"1659776"	476.204388	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Na+HCOOH"	68.994688
"158616"	891.33844	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+2K-H"	76.91904
"606201"	1298.54814	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+2K-H"	76.91904
"1088526"	484.12874	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2K-H"	76.91904
"155185"	446.172858	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"2M+2K"	77.926316
"596206"	649.777708	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"3M+2K"	77.926316
"1083879"	242.568008	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2K"	77.926316
"1113561"	486.143292	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2K+H"	78.933592
"1349823"	486.230907	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+DMSO+H"	79.021207
"1017384"	490.270076	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2ACN+H"	83.060376
"1532227"	491.263708	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+IsoProp+Na+H"	84.054008
"996489"	245.638676	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+2ACN+2H"	84.067652
"1594274"	492.178328	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+K+HCOOH"	84.968628
"1427589"	522.209838	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+H+CF3COOH"	115.000138
"1149129"	266.151951	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+3ACN+2H"	125.094202
"1712533"	539.236385	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+NH4+CF3COOH"	132.026685
"1647453"	544.19178	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+Na+CF3COOH"	136.98208
"1573264"	560.16572	"C09335"	"Ancistrocladine"	"C25H29NO4"	"407.2097"	"M+K+CF3COOH"	152.95602
"805815"	379.142	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M"	0
"979350"	360.12361	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-H2O-H"	-19.01839
"74155"	251.754057333333	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M-3H"	-3.021828
"515903"	378.134724	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M-3H"	-3.021828
"891516"	125.373390666667	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-3H"	-3.021828
"8997"	378.134724	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M-2H"	-2.014552
"447462"	567.705724	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M-2H"	-2.014552
"821987"	188.563724	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-2H"	-2.014552
"84164"	757.276724	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M-H"	-1.007276
"524816"	1136.418724	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M-H"	-1.007276
"902619"	378.134724	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-H"	-1.007276
"53714"	774.303271	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M-2H+NH4"	16.019271
"493275"	1153.445271	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M-2H+NH4"	16.019271
"872169"	395.161271	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-2H+NH4"	16.019271
"42264"	779.258666	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M-2H+Na"	20.974666
"478543"	1158.400666	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M-2H+Na"	20.974666
"854155"	400.116666	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-2H+Na"	20.974666
"1628065"	400.116666	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Na-2H"	20.974666
"101320"	396.123063	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M-H+Cl"	33.962126
"545256"	585.694063	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M-H+Cl"	33.962126
"935491"	206.552063	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-H+Cl"	33.962126
"272953"	793.253402	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+Cl"	34.969402
"669749"	1172.395402	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+Cl"	34.969402
"1276689"	414.111402	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Cl"	34.969402
"22525"	795.232606	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M-2H+K"	36.948606
"467553"	1174.374606	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M-2H+K"	36.948606
"838794"	416.090606	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-2H+K"	36.948606
"1557904"	416.090606	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+K-2H"	36.948606
"944329"	424.140194	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-H+HCOOH"	44.998194
"362907"	803.282201	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+HCOOH-H"	44.998201
"347884"	817.297851	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+Hac-H"	59.013851
"1498903"	438.155851	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Hac-H"	59.013851
"965350"	446.122151	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-H+NaCOOH"	66.980151
"115352"	414.111402	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+2Cl"	69.938804
"557099"	603.682402	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+2Cl"	69.938804
"1024804"	224.540402	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2Cl"	69.938804
"1244384"	458.060885	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Br"	78.918885
"1306227"	460.116872	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Cl+HCOOH"	80.974872
"1323238"	482.098829	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Cl+NaCOOH"	102.956829
"913574"	492.127586	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M-H+CF3COOH"	112.985586
"1292833"	528.104264	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Cl+CF3COOH"	148.962264
"1372456"	344.129324	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H-2H2O"	-35.012676
"1384483"	362.1393	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H-H2O"	-17.0027
"283354"	759.291276	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+H"	1.007276
"677074"	1138.433276	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+H"	1.007276
"1354031"	380.149276	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H"	1.007276
"132388"	380.149276	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+2H"	2.014552
"571948"	569.720276	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+2H"	2.014552
"1045123"	190.578276	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2H"	2.014552
"209744"	253.768609333333	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+3H"	3.021828
"646387"	380.149276	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+3H"	3.021828
"1168521"	127.387942666667	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+3H"	3.021828
"428514"	776.317823	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+NH4"	18.033823
"793885"	1155.459823	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+NH4"	18.033823
"1685845"	397.175823	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+NH4"	18.033823
"333030"	388.6625495	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+H+NH4"	19.041099
"726543"	578.2335495	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+H+NH4"	19.041099
"1481456"	199.0915495	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H+NH4"	19.041099
"396855"	781.273218	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+Na"	22.989218
"757854"	1160.415218	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+Na"	22.989218
"1609232"	402.131218	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Na"	22.989218
"321456"	391.140247	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+H+Na"	23.996494
"710598"	580.711247	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+H+Na"	23.996494
"1466607"	201.569247	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H+Na"	23.996494
"1060945"	134.715256666667	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2H+Na"	25.00377
"1264810"	412.175486	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+CH3OH+H"	33.033486
"385580"	797.247158	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+K"	38.963158
"748762"	1176.389158	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+K"	38.963158
"1549721"	418.105158	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+K"	38.963158
"311273"	399.127217	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+H+K"	39.970434
"705767"	588.698217	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+H+K"	39.970434
"1461048"	209.556217	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H+K"	39.970434
"250497"	800.317826	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+ACN+H"	42.033826
"1224419"	421.175826	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+ACN+H"	42.033826
"1205993"	211.091551	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+ACN+2H"	43.041102
"202146"	803.25516	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+2Na-H"	44.97116
"640974"	1182.39716	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+2Na-H"	44.97116
"1144852"	424.11316	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2Na-H"	44.97116
"177571"	402.131218	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+2Na"	45.978436
"620776"	591.702218	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+2Na"	45.978436
"1123550"	212.560218	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2Na"	45.978436
"1410720"	142.042570666667	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H+2Na"	46.985712
"1442470"	426.154746	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H+HCOOH"	47.012746
"223780"	407.16424	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+3H2O+2H"	56.04448
"1514031"	440.20679	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+IsoProp+H"	61.06479
"414447"	410.118188	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+Na+K"	61.952376
"779821"	599.689188	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+Na+K"	61.952376
"1676521"	220.547188	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Na+K"	61.952376
"263042"	822.299768	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+ACN+Na"	64.015768
"1236845"	443.157768	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+ACN+Na"	64.015768
"1722449"	443.181293	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+NH4+HCOOH"	64.039293
"1186712"	149.369884666667	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+3Na"	68.967654
"1660979"	448.136688	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Na+HCOOH"	68.994688
"160188"	835.20304	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+2K-H"	76.91904
"599020"	1214.34504	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+2K-H"	76.91904
"1089729"	456.06104	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2K-H"	76.91904
"155174"	418.105158	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"2M+2K"	77.926316
"594859"	607.676158	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"3M+2K"	77.926316
"1083949"	228.534158	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2K"	77.926316
"1112578"	458.075592	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2K+H"	78.933592
"1346774"	458.163207	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+DMSO+H"	79.021207
"1017493"	462.202376	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2ACN+H"	83.060376
"1531244"	463.196008	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+IsoProp+Na+H"	84.054008
"996599"	231.604826	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+2ACN+2H"	84.067652
"1594384"	464.110628	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+K+HCOOH"	84.968628
"1427699"	494.142138	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+H+CF3COOH"	115.000138
"1149239"	252.118101	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+3ACN+2H"	125.094202
"1709727"	511.168685	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+NH4+CF3COOH"	132.026685
"1647563"	516.12408	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+Na+CF3COOH"	136.98208
"1573374"	532.09802	"C09336"	"Angoline"	"C22H21NO5"	"379.142"	"M+K+CF3COOH"	152.95602
"809206"	335.2097	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M"	0
"981647"	316.19131	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-H2O-H"	-19.01839
"72077"	222.465857333333	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M-3H"	-3.021828
"512732"	334.202424	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M-3H"	-3.021828
"885067"	110.729290666667	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-3H"	-3.021828
"1452"	334.202424	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M-2H"	-2.014552
"445385"	501.807274	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M-2H"	-2.014552
"821003"	166.597574	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-2H"	-2.014552
"83180"	669.412124	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M-H"	-1.007276
"523833"	1004.621824	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M-H"	-1.007276
"903821"	334.202424	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-H"	-1.007276
"54915"	686.438671	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M-2H+NH4"	16.019271
"493018"	1021.648371	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M-2H+NH4"	16.019271
"872277"	351.228971	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-2H+NH4"	16.019271
"39093"	691.394066	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M-2H+Na"	20.974666
"477558"	1026.603766	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M-2H+Na"	20.974666
"856454"	356.184366	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-2H+Na"	20.974666
"1629268"	356.184366	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Na-2H"	20.974666
"100339"	352.190763	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M-H+Cl"	33.962126
"535887"	519.795613	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M-H+Cl"	33.962126
"932321"	184.585913	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-H+Cl"	33.962126
"279625"	705.388802	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+Cl"	34.969402
"670954"	1040.598502	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+Cl"	34.969402
"1276799"	370.179102	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Cl"	34.969402
"20447"	707.368006	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M-2H+K"	36.948606
"461102"	1042.577706	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M-2H+K"	36.948606
"833555"	372.158306	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-2H+K"	36.948606
"1555945"	372.158306	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+K-2H"	36.948606
"944439"	380.207894	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-H+HCOOH"	44.998194
"364111"	715.417601	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+HCOOH-H"	44.998201
"349088"	729.433251	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+Hac-H"	59.013851
"1496827"	394.223551	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Hac-H"	59.013851
"965460"	402.189851	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-H+NaCOOH"	66.980151
"115461"	370.179102	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+2Cl"	69.938804
"555023"	537.783952	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+2Cl"	69.938804
"1026007"	202.574252	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2Cl"	69.938804
"1249962"	414.128585	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Br"	78.918885
"1305851"	416.184572	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Cl+HCOOH"	80.974872
"1321159"	438.166529	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Cl+NaCOOH"	102.956829
"915503"	448.195286	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M-H+CF3COOH"	112.985586
"1291850"	484.171964	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Cl+CF3COOH"	148.962264
"1368311"	300.197024	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H-2H2O"	-35.012676
"1384225"	318.207	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H-H2O"	-17.0027
"283788"	671.426676	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+H"	1.007276
"676939"	1006.636376	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+H"	1.007276
"1355235"	336.216976	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H"	1.007276
"135778"	336.216976	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+2H"	2.014552
"570234"	503.821826	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+2H"	2.014552
"1048514"	168.612126	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2H"	2.014552
"213134"	224.480409333333	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+3H"	3.021828
"653788"	336.216976	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+3H"	3.021828
"1168631"	112.743842666667	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+3H"	3.021828
"428623"	688.453223	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+NH4"	18.033823
"795088"	1023.662923	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+NH4"	18.033823
"1689234"	353.243523	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+NH4"	18.033823
"335324"	344.7302495	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+H+NH4"	19.041099
"727746"	512.3350995	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+H+NH4"	19.041099
"1481567"	177.1253995	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H+NH4"	19.041099
"397331"	693.408618	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+Na"	22.989218
"759055"	1028.618318	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+Na"	22.989218
"1612624"	358.198918	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Na"	22.989218
"322659"	347.207947	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+H+Na"	23.996494
"713989"	514.812797	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+H+Na"	23.996494
"1468904"	179.603097	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H+Na"	23.996494
"1063244"	120.071156666667	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2H+Na"	25.00377
"1268204"	368.243186	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+CH3OH+H"	33.033486
"385688"	709.382558	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+K"	38.963158
"745592"	1044.592258	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+K"	38.963158
"1549832"	374.172858	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+K"	38.963158
"309195"	355.194917	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+H+K"	39.970434
"706728"	522.799767	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+H+K"	39.970434
"1460671"	187.590067	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H+K"	39.970434
"249877"	712.453226	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+ACN+H"	42.033826
"1224287"	377.243526	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+ACN+H"	42.033826
"1207923"	189.125401	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+ACN+2H"	43.041102
"202012"	715.39056	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+2Na-H"	44.97116
"642910"	1050.60026	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+2Na-H"	44.97116
"1144597"	380.18086	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2Na-H"	44.97116
"179868"	358.198918	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+2Na"	45.978436
"623074"	525.803768	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+2Na"	45.978436
"1128764"	190.594068	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2Na"	45.978436
"1411560"	127.398470666667	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H+2Na"	46.985712
"1444040"	382.222446	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H+HCOOH"	47.012746
"226078"	363.23194	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+3H2O+2H"	56.04448
"1515234"	396.27449	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+IsoProp+H"	61.06479
"417475"	366.185888	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+Na+K"	61.952376
"779931"	533.790738	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+Na+K"	61.952376
"1675539"	198.581038	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Na+K"	61.952376
"262424"	734.435168	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+ACN+Na"	64.015768
"1238049"	399.225468	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+ACN+Na"	64.015768
"1723651"	399.248993	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+NH4+HCOOH"	64.039293
"1190101"	134.725784666667	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+3Na"	68.967654
"1655622"	404.204388	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Na+HCOOH"	68.994688
"159203"	747.33844	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+2K-H"	76.91904
"599246"	1082.54814	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+2K-H"	76.91904
"1085945"	412.12874	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2K-H"	76.91904
"154311"	374.172858	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"2M+2K"	77.926316
"590592"	541.777708	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"3M+2K"	77.926316
"1082397"	206.568008	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2K"	77.926316
"1113418"	414.143292	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2K+H"	78.933592
"1346884"	414.230907	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+DMSO+H"	79.021207
"1016510"	418.270076	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2ACN+H"	83.060376
"1530261"	419.263708	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+IsoProp+Na+H"	84.054008
"999989"	209.638676	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+2ACN+2H"	84.067652
"1594494"	420.178328	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+K+HCOOH"	84.968628
"1426716"	450.209838	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+H+CF3COOH"	115.000138
"1152629"	230.151951	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+3ACN+2H"	125.094202
"1706557"	467.236385	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+NH4+CF3COOH"	132.026685
"1647673"	472.19178	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+Na+CF3COOH"	136.98208
"1573484"	488.16572	"C09337"	"Ankorine"	"C19H29NO4"	"335.2097"	"M+K+CF3COOH"	152.95602
"802755"	281.1052	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M"	0
"979570"	262.08681	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-H2O-H"	-19.01839
"71094"	186.396190666667	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M-3H"	-3.021828
"508467"	280.097924	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M-3H"	-3.021828
"886270"	92.6944573333333	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-3H"	-3.021828
"5936"	280.097924	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M-2H"	-2.014552
"441849"	420.650524	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M-2H"	-2.014552
"821113"	139.545324	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-2H"	-2.014552
"83291"	561.203124	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M-H"	-1.007276
"520298"	842.308324	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M-H"	-1.007276
"902839"	280.097924	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-H"	-1.007276
"52840"	578.229671	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M-2H+NH4"	16.019271
"493494"	859.334871	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M-2H+NH4"	16.019271
"872388"	297.124471	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-2H+NH4"	16.019271
"35914"	583.185066	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M-2H+Na"	20.974666
"474381"	864.290266	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M-2H+Na"	20.974666
"852184"	302.079866	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-2H+Na"	20.974666
"1626091"	302.079866	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Na-2H"	20.974666
"100449"	298.086263	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M-H+Cl"	33.962126
"535633"	438.638863	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M-H+Cl"	33.962126
"932431"	157.533663	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-H+Cl"	33.962126
"278642"	597.179802	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+Cl"	34.969402
"669969"	878.285002	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+Cl"	34.969402
"1276909"	316.074602	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Cl"	34.969402
"20557"	599.159006	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M-2H+K"	36.948606
"461212"	880.264206	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M-2H+K"	36.948606
"833341"	318.053806	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-2H+K"	36.948606
"1556175"	318.053806	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+K-2H"	36.948606
"943698"	326.103394	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-H+HCOOH"	44.998194
"363127"	607.208601	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+HCOOH-H"	44.998201
"348832"	621.224251	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+Hac-H"	59.013851
"1496938"	340.119051	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Hac-H"	59.013851
"966663"	348.085351	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-H+NaCOOH"	66.980151
"113385"	316.074602	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+2Cl"	69.938804
"555132"	456.627202	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+2Cl"	69.938804
"1025024"	175.522002	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2Cl"	69.938804
"1250072"	360.024085	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Br"	78.918885
"1304745"	362.080072	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Cl+HCOOH"	80.974872
"1321634"	384.062029	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Cl+NaCOOH"	102.956829
"915977"	394.090786	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M-H+CF3COOH"	112.985586
"1290503"	430.067464	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Cl+CF3COOH"	148.962264
"1367324"	246.092524	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H-2H2O"	-35.012676
"1385067"	264.1025	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H-H2O"	-17.0027
"290949"	563.217676	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+H"	1.007276
"677539"	844.322876	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+H"	1.007276
"1356439"	282.112476	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H"	1.007276
"131514"	282.112476	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+2H"	2.014552
"571074"	422.665076	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+2H"	2.014552
"1045344"	141.559876	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2H"	2.014552
"213244"	188.410742666667	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+3H"	3.021828
"650618"	282.112476	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+3H"	3.021828
"1167649"	94.7090093333334	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+3H"	3.021828
"429827"	580.244223	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+NH4"	18.033823
"794105"	861.349423	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+NH4"	18.033823
"1686425"	299.139023	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+NH4"	18.033823
"333615"	290.6257495	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+H+NH4"	19.041099
"728952"	431.1783495	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+H+NH4"	19.041099
"1481679"	150.0731495	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H+NH4"	19.041099
"398173"	585.199618	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+Na"	22.989218
"764635"	866.304818	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+Na"	22.989218
"1612734"	304.094418	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Na"	22.989218
"328970"	293.103447	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+H+Na"	23.996494
"716287"	433.656047	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+H+Na"	23.996494
"1474482"	152.550847	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H+Na"	23.996494
"1065541"	102.036323333333	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2H+Na"	25.00377
"1265034"	314.138686	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+CH3OH+H"	33.033486
"383612"	601.173558	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+K"	38.963158
"742422"	882.278758	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+K"	38.963158
"1544474"	320.068358	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+K"	38.963158
"306024"	301.090417	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+H+K"	39.970434
"706838"	441.643017	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+H+K"	39.970434
"1461137"	160.537817	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H+K"	39.970434
"251123"	604.244226	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+ACN+H"	42.033826
"1224760"	323.139026	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+ACN+H"	42.033826
"1208764"	162.073151	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+ACN+2H"	43.041102
"202973"	607.18156	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+2Na-H"	44.97116
"642290"	888.28676	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+2Na-H"	44.97116
"1143242"	326.07636	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2Na-H"	44.97116
"178884"	304.094418	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+2Na"	45.978436
"624641"	444.647018	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+2Na"	45.978436
"1127781"	163.541818	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2Na"	45.978436
"1411669"	109.363637333333	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H+2Na"	46.985712
"1443786"	328.117946	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H+HCOOH"	47.012746
"228374"	309.12744	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+3H2O+2H"	56.04448
"1514251"	342.16999	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+IsoProp+H"	61.06479
"415031"	312.081388	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+Na+K"	61.952376
"781865"	452.633988	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+Na+K"	61.952376
"1674920"	171.528788	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Na+K"	61.952376
"262170"	626.226168	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+ACN+Na"	64.015768
"1238159"	345.120968	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+ACN+Na"	64.015768
"1722305"	345.144493	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+NH4+HCOOH"	64.039293
"1186931"	116.690951333333	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+3Na"	68.967654
"1659012"	350.099888	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Na+HCOOH"	68.994688
"160405"	639.12944	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+2K-H"	76.91904
"599600"	920.23464	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+2K-H"	76.91904
"1086668"	358.02424	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2K-H"	76.91904
"147860"	320.068358	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"2M+2K"	77.926316
"591795"	460.620958	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"3M+2K"	77.926316
"1081776"	179.515758	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2K"	77.926316
"1112797"	360.038792	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2K+H"	78.933592
"1346994"	360.126407	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+DMSO+H"	79.021207
"1017713"	364.165576	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2ACN+H"	83.060376
"1535838"	365.159208	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+IsoProp+Na+H"	84.054008
"996819"	182.586426	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+2ACN+2H"	84.067652
"1597884"	366.073828	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+K+HCOOH"	84.968628
"1426826"	396.105338	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+H+CF3COOH"	115.000138
"1156019"	203.099701	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+3ACN+2H"	125.094202
"1709947"	413.131885	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+NH4+CF3COOH"	132.026685
"1644503"	418.08728	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+Na+CF3COOH"	136.98208
"1575781"	434.06122	"C09338"	"Annolobine;Anolobine"	"C17H15NO3"	"281.1052"	"M+K+CF3COOH"	152.95602
"801771"	265.1103	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M"	0
"979680"	246.09191	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-H2O-H"	-19.01839
"75577"	175.732924	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M-3H"	-3.021828
"509670"	264.103024	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M-3H"	-3.021828
"885287"	87.362824	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-3H"	-3.021828
"2765"	264.103024	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M-2H"	-2.014552
"443418"	396.658174	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M-2H"	-2.014552
"822316"	131.547874	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-2H"	-2.014552
"83401"	529.213324	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M-H"	-1.007276
"521867"	794.323624	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M-H"	-1.007276
"899668"	264.103024	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-H"	-1.007276
"55137"	546.239871	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M-2H+NH4"	16.019271
"491417"	811.350171	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M-2H+NH4"	16.019271
"872498"	281.129571	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-2H+NH4"	16.019271
"39305"	551.195266	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M-2H+Na"	20.974666
"477770"	816.305566	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M-2H+Na"	20.974666
"853388"	286.084966	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-2H+Na"	20.974666
"1625108"	286.084966	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Na-2H"	20.974666
"101652"	282.091363	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M-H+Cl"	33.962126
"535744"	414.646513	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M-H+Cl"	33.962126
"932541"	149.536213	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-H+Cl"	33.962126
"276565"	565.190002	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+Cl"	34.969402
"666799"	830.300302	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+Cl"	34.969402
"1274222"	300.079702	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Cl"	34.969402
"16158"	567.169206	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M-2H+K"	36.948606
"455964"	832.279506	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M-2H+K"	36.948606
"835839"	302.058906	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-2H+K"	36.948606
"1557138"	302.058906	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+K-2H"	36.948606
"945020"	310.108494	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-H+HCOOH"	44.998194
"363238"	575.218801	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+HCOOH-H"	44.998201
"351494"	589.234451	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+Hac-H"	59.013851
"1500327"	324.124151	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Hac-H"	59.013851
"965681"	332.090451	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-H+NaCOOH"	66.980151
"114588"	300.079702	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+2Cl"	69.938804
"550986"	432.634852	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+2Cl"	69.938804
"1024041"	167.524552	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2Cl"	69.938804
"1250182"	344.029185	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Br"	78.918885
"1305220"	346.085172	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Cl+HCOOH"	80.974872
"1322474"	368.067129	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Cl+NaCOOH"	102.956829
"916817"	378.095886	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M-H+CF3COOH"	112.985586
"1291707"	414.072564	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Cl+CF3COOH"	148.962264
"1368043"	230.097624	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H-2H2O"	-35.012676
"1390280"	248.1076	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H-H2O"	-17.0027
"288872"	531.227876	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+H"	1.007276
"680201"	796.338176	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+H"	1.007276
"1355455"	266.117576	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H"	1.007276
"137092"	266.117576	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+2H"	2.014552
"573371"	398.672726	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+2H"	2.014552
"1042170"	133.562426	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2H"	2.014552
"207884"	177.747476	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+3H"	3.021828
"648537"	266.117576	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+3H"	3.021828
"1171036"	89.377376	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+3H"	3.021828
"426289"	548.254423	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+NH4"	18.033823
"793851"	813.364723	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+NH4"	18.033823
"1685077"	283.144123	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+NH4"	18.033823
"339922"	274.6308495	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+H+NH4"	19.041099
"732341"	407.1859995	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+H+NH4"	19.041099
"1482883"	142.0756995	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H+NH4"	19.041099
"399376"	553.209818	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+Na"	22.989218
"761464"	818.320118	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+Na"	22.989218
"1616124"	288.099518	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Na"	22.989218
"328349"	277.108547	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+H+Na"	23.996494
"715305"	409.663697	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+H+Na"	23.996494
"1471311"	144.553397	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H+Na"	23.996494
"1064560"	96.70469	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2H+Na"	25.00377
"1271703"	298.143786	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+CH3OH+H"	33.033486
"381534"	569.183758	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+K"	38.963158
"743622"	834.294058	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+K"	38.963158
"1545674"	304.073458	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+K"	38.963158
"302854"	285.095517	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+H+K"	39.970434
"705849"	417.650667	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+H+K"	39.970434
"1459308"	152.540367	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H+K"	39.970434
"250094"	572.254426	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+ACN+H"	42.033826
"1225235"	307.144126	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+ACN+H"	42.033826
"1207418"	154.075701	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+ACN+2H"	43.041102
"203326"	575.19176	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+2Na-H"	44.97116
"642645"	840.30206	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+2Na-H"	44.97116
"1143353"	310.08146	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2Na-H"	44.97116
"182271"	288.099518	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+2Na"	45.978436
"621834"	420.654668	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+2Na"	45.978436
"1124243"	155.544368	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2Na"	45.978436
"1409225"	104.032004	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H+2Na"	46.985712
"1440977"	312.123046	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H+HCOOH"	47.012746
"226298"	293.13254	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+3H2O+2H"	56.04448
"1517275"	326.17509	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+IsoProp+H"	61.06479
"411859"	296.086488	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+Na+K"	61.952376
"782339"	428.641638	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+Na+K"	61.952376
"1672478"	163.531338	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Na+K"	61.952376
"260821"	594.236368	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+ACN+Na"	64.015768
"1233166"	329.126068	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+ACN+Na"	64.015768
"1723507"	329.149593	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+NH4+HCOOH"	64.039293
"1187770"	111.359318	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+3Na"	68.967654
"1654748"	334.104988	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Na+HCOOH"	68.994688
"163065"	607.13964	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+2K-H"	76.91904
"598983"	872.24994	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+2K-H"	76.91904
"1088965"	342.02934	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2K-H"	76.91904
"145783"	304.073458	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"2M+2K"	77.926316
"586438"	436.628608	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"3M+2K"	77.926316
"1080792"	171.518308	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2K"	77.926316
"1114973"	344.043892	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2K+H"	78.933592
"1347104"	344.131507	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+DMSO+H"	79.021207
"1014543"	348.170676	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2ACN+H"	83.060376
"1533760"	349.164308	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+IsoProp+Na+H"	84.054008
"1003487"	174.588976	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+2ACN+2H"	84.067652
"1597994"	350.078928	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+K+HCOOH"	84.968628
"1422561"	380.110438	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+H+CF3COOH"	115.000138
"1156129"	195.102251	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+3ACN+2H"	125.094202
"1707870"	397.136985	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+NH4+CF3COOH"	132.026685
"1644613"	402.09238	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+Na+CF3COOH"	136.98208
"1575891"	418.06632	"C09339"	"(-)-Annonaine;Anonaine"	"C17H15NO2"	"265.1103"	"M+K+CF3COOH"	152.95602
"812816"	297.1365	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M"	0
"986717"	278.11811	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-H2O-H"	-19.01839
"75689"	197.083724	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M-3H"	-3.021828
"515250"	296.129224	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M-3H"	-3.021828
"885398"	98.038224	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-3H"	-3.021828
"5063"	296.129224	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M-2H"	-2.014552
"450091"	444.697474	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M-2H"	-2.014552
"823521"	147.560974	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-2H"	-2.014552
"86793"	593.265724	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M-H"	-1.007276
"527445"	890.402224	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M-H"	-1.007276
"903058"	296.129224	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-H"	-1.007276
"59865"	610.292271	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M-2H+NH4"	16.019271
"499180"	907.428771	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M-2H+NH4"	16.019271
"875162"	313.155771	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-2H+NH4"	16.019271
"43062"	615.247666	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M-2H+Na"	20.974666
"477515"	912.384166	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M-2H+Na"	20.974666
"853498"	318.111166	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-2H+Na"	20.974666
"1625218"	318.111166	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Na-2H"	20.974666
"102848"	314.117563	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M-H+Cl"	33.962126
"539131"	462.685813	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M-H+Cl"	33.962126
"935932"	165.549313	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-H+Cl"	33.962126
"276675"	629.242402	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+Cl"	34.969402
"670190"	926.378902	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+Cl"	34.969402
"1277128"	332.105902	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Cl"	34.969402
"17861"	631.221606	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M-2H+K"	36.948606
"457056"	928.358106	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M-2H+K"	36.948606
"833394"	334.085106	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-2H+K"	36.948606
"1558341"	334.085106	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+K-2H"	36.948606
"945134"	342.134694	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-H+HCOOH"	44.998194
"365534"	639.271201	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+HCOOH-H"	44.998201
"354886"	653.286851	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+Hac-H"	59.013851
"1497156"	356.150351	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Hac-H"	59.013851
"972353"	364.116651	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-H+NaCOOH"	66.980151
"120167"	332.105902	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+2Cl"	69.938804
"552072"	480.674152	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+2Cl"	69.938804
"1022083"	183.537652	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2Cl"	69.938804
"1253573"	376.055385	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Br"	78.918885
"1305817"	378.111372	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Cl+HCOOH"	80.974872
"1321856"	400.093329	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Cl+NaCOOH"	102.956829
"920210"	410.122086	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M-H+CF3COOH"	112.985586
"1299107"	446.098764	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Cl+CF3COOH"	148.962264
"1370709"	262.123824	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H-2H2O"	-35.012676
"1396227"	280.1338	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H-H2O"	-17.0027
"291169"	595.280276	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+H"	1.007276
"685779"	892.416776	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+H"	1.007276
"1357751"	298.143776	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H"	1.007276
"135015"	298.143776	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+2H"	2.014552
"571295"	446.712026	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+2H"	2.014552
"1044467"	149.575526	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2H"	2.014552
"213098"	199.098276	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+3H"	3.021828
"654114"	298.143776	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+3H"	3.021828
"1167866"	100.052776	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+3H"	3.021828
"428952"	612.306823	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+NH4"	18.033823
"792139"	909.443323	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+NH4"	18.033823
"1686279"	315.170323	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+NH4"	18.033823
"340398"	306.6570495	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+H+NH4"	19.041099
"735736"	455.2252995	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+H+NH4"	19.041099
"1484087"	158.0887995	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H+NH4"	19.041099
"400581"	617.262218	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+Na"	22.989218
"768748"	914.398718	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+Na"	22.989218
"1615142"	320.125718	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Na"	22.989218
"325541"	309.134747	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+H+Na"	23.996494
"716507"	457.702997	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+H+Na"	23.996494
"1472150"	160.566497	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H+Na"	23.996494
"1064306"	107.38009	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2H+Na"	25.00377
"1268534"	330.169986	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+CH3OH+H"	33.033486
"380551"	633.236158	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+K"	38.963158
"743732"	930.372658	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+K"	38.963158
"1542506"	336.099658	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+K"	38.963158
"305151"	317.121717	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+H+K"	39.970434
"706990"	465.689967	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+H+K"	39.970434
"1460148"	168.553467	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H+K"	39.970434
"250691"	636.306826	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+ACN+H"	42.033826
"1225266"	339.170326	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+ACN+H"	42.033826
"1207769"	170.088801	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+ACN+2H"	43.041102
"203678"	639.24416	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+2Na-H"	44.97116
"643363"	936.38066	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+2Na-H"	44.97116
"1145288"	342.10766	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2Na-H"	44.97116
"179103"	320.125718	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+2Na"	45.978436
"621943"	468.693968	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+2Na"	45.978436
"1123261"	171.557468	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2Na"	45.978436
"1406783"	114.707404	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H+2Na"	46.985712
"1442547"	344.149246	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H+HCOOH"	47.012746
"228597"	325.15874	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+3H2O+2H"	56.04448
"1517749"	358.20129	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+IsoProp+H"	61.06479
"418167"	328.112688	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+Na+K"	61.952376
"780261"	476.680938	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+Na+K"	61.952376
"1672584"	179.544438	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Na+K"	61.952376
"259108"	658.288768	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+ACN+Na"	64.015768
"1231817"	361.152268	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+ACN+Na"	64.015768
"1720704"	361.175793	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+NH4+HCOOH"	64.039293
"1186058"	122.034718	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+3Na"	68.967654
"1659231"	366.131188	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Na+HCOOH"	68.994688
"161353"	671.19204	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+2K-H"	76.91904
"600188"	968.32854	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+2K-H"	76.91904
"1092355"	374.05554	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2K-H"	76.91904
"151362"	336.099658	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"2M+2K"	77.926316
"584361"	484.667908	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"3M+2K"	77.926316
"1071061"	187.531408	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2K"	77.926316
"1105364"	376.070092	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2K+H"	78.933592
"1347217"	376.157707	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+DMSO+H"	79.021207
"1010279"	380.196876	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2ACN+H"	83.060376
"1530592"	381.190508	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+IsoProp+Na+H"	84.054008
"994853"	190.602076	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+2ACN+2H"	84.067652
"1594824"	382.105128	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+K+HCOOH"	84.968628
"1416110"	412.136638	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+H+CF3COOH"	115.000138
"1152959"	211.115351	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+3ACN+2H"	125.094202
"1701419"	429.163185	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+NH4+CF3COOH"	132.026685
"1645818"	434.11858	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+Na+CF3COOH"	136.98208
"1579281"	450.09252	"C09340"	"(-)-Apoglaziovine"	"C18H19NO3"	"297.1365"	"M+K+CF3COOH"	152.95602
"801743"	355.1784	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M"	0
"975158"	336.16001	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-H2O-H"	-19.01839
"73614"	235.778324	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M-3H"	-3.021828
"514265"	354.171124	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M-3H"	-3.021828
"886602"	117.385524	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-3H"	-3.021828
"1894"	354.171124	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M-2H"	-2.014552
"444734"	531.760324	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M-2H"	-2.014552
"821443"	176.581924	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-2H"	-2.014552
"82530"	709.349524	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M-H"	-1.007276
"523181"	1064.527924	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M-H"	-1.007276
"902074"	354.171124	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-H"	-1.007276
"55357"	726.376071	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M-2H+NH4"	16.019271
"497104"	1081.554471	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M-2H+NH4"	16.019271
"872720"	371.197671	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-2H+NH4"	16.019271
"40256"	731.331466	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M-2H+Na"	20.974666
"475803"	1086.509866	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M-2H+Na"	20.974666
"852515"	376.153066	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-2H+Na"	20.974666
"1622049"	376.153066	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Na-2H"	20.974666
"100772"	372.159463	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M-H+Cl"	33.962126
"542521"	549.748663	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M-H+Cl"	33.962126
"936042"	194.570263	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-H+Cl"	33.962126
"275692"	745.326202	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+Cl"	34.969402
"667021"	1100.504602	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+Cl"	34.969402
"1281610"	390.147802	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Cl"	34.969402
"20887"	747.305406	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M-2H+K"	36.948606
"456477"	1102.483806	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M-2H+K"	36.948606
"833628"	392.127006	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-2H+K"	36.948606
"1557358"	392.127006	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+K-2H"	36.948606
"948524"	400.176594	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-H+HCOOH"	44.998194
"366739"	755.355001	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+HCOOH-H"	44.998201
"351716"	769.370651	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+Hac-H"	59.013851
"1498360"	414.192251	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Hac-H"	59.013851
"973924"	422.158551	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-H+NaCOOH"	66.980151
"120277"	390.147802	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+2Cl"	69.938804
"552182"	567.737002	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+2Cl"	69.938804
"1022437"	212.558602	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2Cl"	69.938804
"1249309"	434.097285	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Br"	78.918885
"1304953"	436.153272	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Cl+HCOOH"	80.974872
"1321966"	458.135229	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Cl+NaCOOH"	102.956829
"920320"	468.163986	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M-H+CF3COOH"	112.985586
"1300312"	504.140664	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Cl+CF3COOH"	148.962264
"1373006"	320.165724	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H-2H2O"	-35.012676
"1396698"	338.1757	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H-H2O"	-17.0027
"291279"	711.364076	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+H"	1.007276
"684793"	1066.542476	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+H"	1.007276
"1356769"	356.185676	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H"	1.007276
"135125"	356.185676	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+2H"	2.014552
"571405"	533.774876	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+2H"	2.014552
"1044577"	178.596476	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2H"	2.014552
"214665"	237.792876	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+3H"	3.021828
"653133"	356.185676	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+3H"	3.021828
"1170164"	119.400076	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+3H"	3.021828
"428333"	728.390623	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+NH4"	18.033823
"793342"	1083.569023	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+NH4"	18.033823
"1687482"	373.212223	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+NH4"	18.033823
"340508"	364.6989495	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+H+NH4"	19.041099
"735846"	542.2881495	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+H+NH4"	19.041099
"1486385"	187.1097495	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H+NH4"	19.041099
"404701"	733.346018	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+Na"	22.989218
"769223"	1088.524418	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+Na"	22.989218
"1617320"	378.167618	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Na"	22.989218
"325287"	367.176647	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+H+Na"	23.996494
"717346"	544.765847	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+H+Na"	23.996494
"1472260"	189.587447	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H+Na"	23.996494
"1065873"	126.72739	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2H+Na"	25.00377
"1268279"	388.211886	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+CH3OH+H"	33.033486
"382848"	749.319958	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+K"	38.963158
"743843"	1104.498358	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+K"	38.963158
"1543710"	394.141558	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+K"	38.963158
"306354"	375.163617	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+H+K"	39.970434
"705949"	552.752817	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+H+K"	39.970434
"1459887"	197.574417	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H+K"	39.970434
"247395"	752.390626	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+ACN+H"	42.033826
"1224120"	397.212226	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+ACN+H"	42.033826
"1207637"	199.109751	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+ACN+2H"	43.041102
"203182"	755.32796	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+2Na-H"	44.97116
"642743"	1110.50636	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+2Na-H"	44.97116
"1144303"	400.14956	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2Na-H"	44.97116
"179214"	378.167618	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+2Na"	45.978436
"617679"	555.756818	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+2Na"	45.978436
"1121184"	200.578418	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2Na"	45.978436
"1403613"	134.054704	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H+2Na"	46.985712
"1442293"	402.191146	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H+HCOOH"	47.012746
"226520"	383.20064	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+3H2O+2H"	56.04448
"1514580"	416.24319	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+IsoProp+H"	61.06479
"415362"	386.154588	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+Na+K"	61.952376
"776360"	563.743788	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+Na+K"	61.952376
"1672694"	208.565388	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Na+K"	61.952376
"258122"	774.372568	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+ACN+Na"	64.015768
"1233020"	419.194168	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+ACN+Na"	64.015768
"1718627"	419.217693	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+NH4+HCOOH"	64.039293
"1183981"	141.382018	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+3Na"	68.967654
"1657154"	424.173088	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Na+HCOOH"	68.994688
"161099"	787.27584	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+2K-H"	76.91904
"600295"	1142.45424	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+2K-H"	76.91904
"1087360"	432.09744	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2K-H"	76.91904
"146005"	394.141558	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"2M+2K"	77.926316
"582161"	571.730758	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"3M+2K"	77.926316
"1070078"	216.552358	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2K"	77.926316
"1103286"	434.111992	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2K+H"	78.933592
"1342953"	434.199607	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+DMSO+H"	79.021207
"1012577"	438.238776	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2ACN+H"	83.060376
"1525235"	439.232408	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+IsoProp+Na+H"	84.054008
"997150"	219.623026	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+2ACN+2H"	84.067652
"1591653"	440.147028	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+K+HCOOH"	84.968628
"1419500"	470.178538	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+H+CF3COOH"	115.000138
"1153069"	240.136301	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+3ACN+2H"	125.094202
"1697195"	487.205085	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+NH4+CF3COOH"	132.026685
"1645928"	492.16048	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+Na+CF3COOH"	136.98208
"1579391"	508.13442	"C09341"	"(-)-Argemonine;Argemonine"	"C21H25NO4"	"355.1784"	"M+K+CF3COOH"	152.95602
"801856"	313.1678	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M"	0
"975997"	294.14941	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-H2O-H"	-19.01839
"77003"	207.771257333333	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M-3H"	-3.021828
"514375"	312.160524	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M-3H"	-3.021828
"888899"	103.381990666667	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-3H"	-3.021828
"3097"	312.160524	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M-2H"	-2.014552
"445937"	468.744424	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M-2H"	-2.014552
"822647"	155.576624	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-2H"	-2.014552
"83734"	625.328324	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M-H"	-1.007276
"524385"	938.496124	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M-H"	-1.007276
"903277"	312.160524	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-H"	-1.007276
"54373"	642.354871	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M-2H+NH4"	16.019271
"498307"	955.522671	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M-2H+NH4"	16.019271
"871737"	329.187071	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-2H+NH4"	16.019271
"38543"	647.310266	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M-2H+Na"	20.974666
"477734"	960.478066	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M-2H+Na"	20.974666
"855901"	334.142466	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-2H+Na"	20.974666
"1625431"	334.142466	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Na-2H"	20.974666
"101975"	330.148863	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M-H+Cl"	33.962126
"540441"	486.732763	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M-H+Cl"	33.962126
"933967"	173.564963	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-H+Cl"	33.962126
"276897"	661.305002	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+Cl"	34.969402
"666039"	974.472802	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+Cl"	34.969402
"1279537"	348.137202	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Cl"	34.969402
"21361"	663.284206	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M-2H+K"	36.948606
"464931"	976.452006	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M-2H+K"	36.948606
"834713"	350.116406	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-2H+K"	36.948606
"1558200"	350.116406	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+K-2H"	36.948606
"947541"	358.165994	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-H+HCOOH"	44.998194
"365391"	671.333801	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+HCOOH-H"	44.998201
"351826"	685.349451	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+Hac-H"	59.013851
"1498834"	372.181651	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Hac-H"	59.013851
"963093"	380.147951	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-H+NaCOOH"	66.980151
"121480"	348.137202	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+2Cl"	69.938804
"552656"	504.721102	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+2Cl"	69.938804
"1024004"	191.553302	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2Cl"	69.938804
"1249419"	392.086685	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Br"	78.918885
"1304698"	394.142672	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Cl+HCOOH"	80.974872
"1323533"	416.124629	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Cl+NaCOOH"	102.956829
"920430"	426.153386	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M-H+CF3COOH"	112.985586
"1302609"	462.130064	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Cl+CF3COOH"	148.962264
"1380773"	278.155124	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H-2H2O"	-35.012676
"1396445"	296.1651	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H-H2O"	-17.0027
"294305"	627.342876	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+H"	1.007276
"683810"	940.510676	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+H"	1.007276
"1361618"	314.175076	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H"	1.007276
"136328"	314.175076	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+2H"	2.014552
"577712"	470.758976	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+2H"	2.014552
"1047605"	157.591176	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2H"	2.014552
"214775"	209.785809333333	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+3H"	3.021828
"653243"	314.175076	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+3H"	3.021828
"1171366"	105.396542666667	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+3H"	3.021828
"429172"	644.369423	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+NH4"	18.033823
"791266"	957.537223	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+NH4"	18.033823
"1687592"	331.201623	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+NH4"	18.033823
"342807"	322.6883495	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+H+NH4"	19.041099
"738065"	479.2722495	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+H+NH4"	19.041099
"1490870"	166.1044495	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H+NH4"	19.041099
"406635"	649.324818	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+Na"	22.989218
"769537"	962.492618	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+Na"	22.989218
"1617184"	336.157018	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Na"	22.989218
"325397"	325.166047	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+H+Na"	23.996494
"717820"	481.749947	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+H+Na"	23.996494
"1469454"	168.582147	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H+Na"	23.996494
"1062701"	112.723856666667	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2H+Na"	25.00377
"1265473"	346.201286	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+CH3OH+H"	33.033486
"381865"	665.298758	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+K"	38.963158
"745048"	978.466558	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+K"	38.963158
"1549287"	352.130958	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+K"	38.963158
"306464"	333.153017	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+H+K"	39.970434
"705085"	489.736917	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+H+K"	39.970434
"1457811"	176.569117	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H+K"	39.970434
"247869"	668.369426	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+ACN+H"	42.033826
"1224472"	355.201626	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+ACN+H"	42.033826
"1209084"	178.104451	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+ACN+2H"	43.041102
"202925"	671.30676	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+2Na-H"	44.97116
"643337"	984.47456	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+2Na-H"	44.97116
"1144048"	358.13896	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2Na-H"	44.97116
"182599"	336.157018	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+2Na"	45.978436
"619976"	492.740918	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+2Na"	45.978436
"1121294"	179.573118	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2Na"	45.978436
"1407003"	120.051170666667	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H+2Na"	46.985712
"1442399"	360.180546	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H+HCOOH"	47.012746
"228817"	341.19004	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+3H2O+2H"	56.04448
"1514690"	374.23259	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+IsoProp+H"	61.06479
"416565"	344.143988	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+Na+K"	61.952376
"776470"	500.727888	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+Na+K"	61.952376
"1668430"	187.560088	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Na+K"	61.952376
"257139"	690.351368	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+ACN+Na"	64.015768
"1230943"	377.183568	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+ACN+Na"	64.015768
"1722016"	377.207093	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+NH4+HCOOH"	64.039293
"1187372"	127.378484666667	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+3Na"	68.967654
"1658358"	382.162488	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Na+HCOOH"	68.994688
"163033"	703.25464	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+2K-H"	76.91904
"601497"	1016.42244	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+2K-H"	76.91904
"1095856"	390.08684	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2K-H"	76.91904
"149395"	352.130958	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"2M+2K"	77.926316
"582999"	508.714858	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"3M+2K"	77.926316
"1071281"	195.547058	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2K"	77.926316
"1105583"	392.101392	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2K+H"	78.933592
"1348530"	392.189007	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+DMSO+H"	79.021207
"1015967"	396.228176	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2ACN+H"	83.060376
"1529720"	397.221808	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+IsoProp+Na+H"	84.054008
"998354"	198.617726	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+2ACN+2H"	84.067652
"1590669"	398.136428	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+K+HCOOH"	84.968628
"1420705"	428.167938	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+H+CF3COOH"	115.000138
"1153180"	219.131001	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+3ACN+2H"	125.094202
"1701639"	445.194485	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+NH4+CF3COOH"	132.026685
"1643851"	450.14988	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+Na+CF3COOH"	136.98208
"1579501"	466.12382	"C09342"	"Armepavine"	"C19H23NO3"	"313.1678"	"M+K+CF3COOH"	152.95602
"804398"	337.095	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M"	0
"976835"	318.07661	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-H2O-H"	-19.01839
"77114"	223.722724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M-3H"	-3.021828
"514485"	336.087724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M-3H"	-3.021828
"887915"	111.357724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-3H"	-3.021828
"4300"	336.087724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M-2H"	-2.014552
"443860"	504.635224	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M-2H"	-2.014552
"823847"	167.540224	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-2H"	-2.014552
"84937"	673.182724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M-H"	-1.007276
"525588"	1010.277724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M-H"	-1.007276
"902295"	336.087724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-H"	-1.007276
"56670"	690.209271	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M-2H+NH4"	16.019271
"496229"	1027.304271	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M-2H+NH4"	16.019271
"875126"	353.114271	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-2H+NH4"	16.019271
"39746"	695.164666	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M-2H+Na"	20.974666
"477117"	1032.259666	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M-2H+Na"	20.974666
"856009"	358.069666	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-2H+Na"	20.974666
"1626635"	358.069666	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Na-2H"	20.974666
"102085"	354.076063	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M-H+Cl"	33.962126
"541645"	522.623563	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M-H+Cl"	33.962126
"937357"	185.528563	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-H+Cl"	33.962126
"278465"	709.159402	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+Cl"	34.969402
"668336"	1046.254402	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+Cl"	34.969402
"1282924"	372.064402	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Cl"	34.969402
"18918"	711.138606	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M-2H+K"	36.948606
"461759"	1048.233606	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M-2H+K"	36.948606
"837375"	374.043606	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-2H+K"	36.948606
"1560861"	374.043606	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+K-2H"	36.948606
"948744"	382.093194	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-H+HCOOH"	44.998194
"366960"	719.188201	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+HCOOH-H"	44.998201
"353029"	733.203851	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+Hac-H"	59.013851
"1498943"	396.108851	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Hac-H"	59.013851
"963203"	404.075151	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-H+NaCOOH"	66.980151
"121590"	372.064402	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+2Cl"	69.938804
"554588"	540.611902	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+2Cl"	69.938804
"1023750"	203.516902	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2Cl"	69.938804
"1251715"	416.013885	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Br"	78.918885
"1305419"	418.069872	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Cl+HCOOH"	80.974872
"1322550"	440.051829	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Cl+NaCOOH"	102.956829
"920540"	450.080586	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M-H+CF3COOH"	112.985586
"1293237"	486.057264	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Cl+CF3COOH"	148.962264
"1381247"	302.082324	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H-2H2O"	-35.012676
"1397284"	320.0923	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H-H2O"	-17.0027
"294051"	675.197276	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+H"	1.007276
"681733"	1012.292276	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+H"	1.007276
"1360635"	338.102276	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H"	1.007276
"136438"	338.102276	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+2H"	2.014552
"577458"	506.649776	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+2H"	2.014552
"1044798"	169.554776	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2H"	2.014552
"214885"	225.737276	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+3H"	3.021828
"653353"	338.102276	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+3H"	3.021828
"1173664"	113.372276	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+3H"	3.021828
"429282"	692.223823	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+NH4"	18.033823
"790283"	1029.318823	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+NH4"	18.033823
"1684786"	355.128823	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+NH4"	18.033823
"344011"	346.6155495	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+H+NH4"	19.041099
"737165"	515.1630495	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+H+NH4"	19.041099
"1492441"	178.0680495	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H+NH4"	19.041099
"407962"	697.179218	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+Na"	22.989218
"769853"	1034.274218	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+Na"	22.989218
"1617172"	360.084218	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Na"	22.989218
"325143"	349.093247	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+H+Na"	23.996494
"716837"	517.640747	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+H+Na"	23.996494
"1469564"	180.545747	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H+Na"	23.996494
"1062811"	120.69959	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2H+Na"	25.00377
"1268863"	370.128486	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+CH3OH+H"	33.033486
"381975"	713.153158	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+K"	38.963158
"745158"	1050.248158	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+K"	38.963158
"1549397"	376.058158	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+K"	38.963158
"305481"	357.080217	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+H+K"	39.970434
"705924"	525.627717	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+H+K"	39.970434
"1458285"	188.532717	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H+K"	39.970434
"244699"	716.223826	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+ACN+H"	42.033826
"1224827"	379.128826	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+ACN+H"	42.033826
"1205667"	190.068051	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+ACN+2H"	43.041102
"203644"	719.16116	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+2Na-H"	44.97116
"643083"	1056.25616	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+2Na-H"	44.97116
"1143792"	382.06616	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2Na-H"	44.97116
"181617"	360.084218	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+2Na"	45.978436
"618992"	528.631718	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+2Na"	45.978436
"1123590"	191.536718	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2Na"	45.978436
"1408207"	128.026904	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H+2Na"	46.985712
"1444695"	384.107746	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H+HCOOH"	47.012746
"227833"	365.11724	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+3H2O+2H"	56.04448
"1516986"	398.15979	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+IsoProp+H"	61.06479
"417768"	368.071188	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+Na+K"	61.952376
"778767"	536.618688	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+Na+K"	61.952376
"1668542"	199.523688	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Na+K"	61.952376
"256156"	738.205768	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+ACN+Na"	64.015768
"1229960"	401.110768	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+ACN+Na"	64.015768
"1721033"	401.134293	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+NH4+HCOOH"	64.039293
"1184202"	135.354218	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+3Na"	68.967654
"1658468"	406.089688	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Na+HCOOH"	68.994688
"163143"	751.10904	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+2K-H"	76.91904
"599421"	1088.20404	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+2K-H"	76.91904
"1092686"	414.01404	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2K-H"	76.91904
"149505"	376.058158	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"2M+2K"	77.926316
"583961"	544.605658	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"3M+2K"	77.926316
"1072484"	207.510658	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2K"	77.926316
"1105694"	416.028592	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2K+H"	78.933592
"1348640"	416.116207	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+DMSO+H"	79.021207
"1014984"	420.155376	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2ACN+H"	83.060376
"1533110"	421.149008	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+IsoProp+Na+H"	84.054008
"998464"	210.581326	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+2ACN+2H"	84.067652
"1588593"	422.063628	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+K+HCOOH"	84.968628
"1423003"	452.095138	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+H+CF3COOH"	115.000138
"1156571"	231.094601	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+3ACN+2H"	125.094202
"1702843"	469.121685	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+NH4+CF3COOH"	132.026685
"1645054"	474.07708	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+Na+CF3COOH"	136.98208
"1576331"	490.05102	"C09343"	"Atheroline"	"C19H15NO5"	"337.095"	"M+K+CF3COOH"	152.95602
"804508"	262.1205	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M"	0
"975727"	243.10211	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"76133"	173.739724	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"516781"	261.113224	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"891306"	86.366224	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"10970"	261.113224	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"449436"	392.173474	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"822864"	130.052974	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"87232"	523.233724	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"532259"	785.354224	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"905685"	261.113224	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"58967"	540.260271	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"496339"	802.380771	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"867577"	278.139771	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"36575"	545.215666	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"478316"	807.336166	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"853934"	283.095166	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1625651"	283.095166	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"103288"	279.101563	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"545034"	410.161813	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"937467"	148.041313	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"277847"	559.210402	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"665529"	821.330902	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1280847"	297.089902	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"20121"	561.189606	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"465149"	823.310106	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"844043"	299.069106	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1563160"	299.069106	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"947760"	307.118694	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"368162"	569.239201	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"358241"	583.254851	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1503063"	321.134351	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"962583"	329.100651	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"121700"	297.089902	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"553603"	428.150152	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1023131"	166.029652	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1250732"	341.039385	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1306622"	343.095372	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1323024"	365.077329	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"920650"	375.106086	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1296262"	411.082764	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1381236"	227.107824	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1398003"	245.1178	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"294161"	525.248276	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"682936"	787.368776	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1360015"	263.127776	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"137279"	263.127776	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"578661"	394.188026	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1046002"	132.067526	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"214995"	175.754276	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"655286"	263.127776	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1174867"	88.380776	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"429392"	542.274823	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"793672"	804.395323	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1685625"	280.154323	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"342661"	271.6410495	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"737272"	402.7012995	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1491092"	140.5807995	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"406855"	547.230218	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"768214"	809.350718	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1615217"	285.109718	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"322338"	274.118747	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"716947"	405.178997	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1469674"	143.058497	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1064013"	95.70809	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1266786"	295.153986	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"386457"	563.204158	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"746362"	825.324658	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1549507"	301.083658	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"305591"	282.105717	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"701296"	413.165967	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1454022"	151.045467	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"244809"	566.274826	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1224204"	304.154326	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1208692"	152.580801	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"203471"	569.21216	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"642945"	831.33266	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1143901"	307.09166	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"185007"	285.109718	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"622379"	416.169968	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1124794"	154.049468	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1410504"	103.035404	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1443712"	309.133246	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"229034"	290.14274	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1517095"	323.18529	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"420064"	293.096688	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"779966"	424.156938	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1668652"	162.036438	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"259546"	588.256768	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1236628"	326.136268	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1718956"	326.159793	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1187593"	110.362718	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1661858"	331.115188	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"163253"	601.16004	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"599532"	863.28054	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1092796"	339.03954	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"152895"	301.083658	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"584072"	432.143908	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1076968"	170.023408	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1109084"	341.054092	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1347657"	341.141707	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1016188"	345.180876	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1534314"	346.174508	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"998574"	173.094076	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1598543"	347.089128	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1425300"	377.120638	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1158868"	193.607351	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1701860"	394.147185	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1647352"	399.10258	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1579721"	415.07652	"C09344"	"Artemisin"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"802431"	248.1412	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M"	0
"974363"	229.12281	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"78280"	164.420190666667	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"516163"	247.133924	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"891415"	81.7064573333333	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"9987"	247.133924	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"446267"	371.204524	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"817870"	123.063324	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"86249"	495.275124	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"530182"	743.416324	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"900328"	247.133924	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"52517"	512.301671	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"493169"	760.442871	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"866229"	264.160471	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"34133"	517.257066	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"474783"	765.398266	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"852583"	269.115866	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1623573"	269.115866	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"102305"	265.122263	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"540770"	389.192863	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"939390"	141.051663	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"273939"	531.251802	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"670013"	779.393002	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1282049"	283.110602	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"20231"	533.231006	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"464166"	781.372206	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"836498"	285.089806	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1564363"	285.089806	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"947870"	293.139394	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"368272"	541.280601	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"358715"	555.296251	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1503173"	307.155051	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"961600"	315.121351	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"121810"	283.110602	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"553714"	407.181202	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1022148"	159.040002	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1254122"	327.060085	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1305639"	329.116072	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1323134"	351.098029	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"920760"	361.126786	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1295279"	397.103464	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1381830"	213.128524	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1393856"	231.1385	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"289531"	497.289676	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"681953"	745.430876	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1358302"	249.148476	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"131191"	249.148476	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"575124"	373.219076	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1047936"	125.077876	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"215105"	166.434742666667	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"653573"	249.148476	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1172790"	83.7210093333333	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"433876"	514.316223	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"791590"	762.457423	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1684642"	266.175023	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"343136"	257.6617495	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"736531"	381.7323495	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1490839"	133.5911495	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"406236"	519.271618	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"767595"	767.412818	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1614234"	271.130418	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"322445"	260.139447	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"714870"	384.210047	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1468689"	136.068847	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1063030"	91.0483233333333	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1265803"	281.174686	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"384379"	535.245558	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"746472"	783.386758	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1548523"	287.104358	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"306794"	268.126417	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"700310"	392.197017	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1455225"	144.055817	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"239451"	538.316226	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1216533"	290.175026	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1201510"	145.591151	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"203863"	541.25356	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"641962"	789.39476	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1145105"	293.11236	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"184024"	271.130418	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"622489"	395.201018	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1125632"	147.059818	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1410614"	98.3756373333333	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1443458"	295.153946	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"229144"	276.16344	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1516112"	309.20599	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"420174"	279.117388	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"776796"	403.187988	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1674222"	155.046788	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"260746"	560.298168	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1230901"	312.156968	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1720159"	312.180493	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1188794"	105.702951333333	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1661967"	317.135888	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"163362"	573.20144	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"599642"	821.34264	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1093999"	325.06024	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"153005"	287.104358	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"587098"	411.174958	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1079265"	163.033758	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1111382"	327.074792	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1348497"	327.162407	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1018121"	331.201576	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1535518"	332.195208	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"1000871"	166.104426	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1598653"	333.109828	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1424316"	363.141338	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1157885"	186.617701	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1704157"	380.167885	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1648921"	385.12328	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1583112"	401.09722	"C09345"	"Artemorin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"801554"	280.1311	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M"	0
"976069"	261.11271	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-H2O-H"	-19.01839
"77691"	185.746790666667	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M-3H"	-3.021828
"515544"	279.123824	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M-3H"	-3.021828
"890431"	92.3697573333333	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-3H"	-3.021828
"7911"	279.123824	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M-2H"	-2.014552
"445284"	419.189374	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M-2H"	-2.014552
"820897"	139.058274	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-2H"	-2.014552
"80886"	559.254924	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M-H"	-1.007276
"522634"	839.386024	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M-H"	-1.007276
"899345"	279.123824	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-H"	-1.007276
"54814"	576.281471	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M-2H+NH4"	16.019271
"491093"	856.412571	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M-2H+NH4"	16.019271
"868893"	296.150371	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-2H+NH4"	16.019271
"34244"	581.236866	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M-2H+Na"	20.974666
"477445"	861.367966	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M-2H+Na"	20.974666
"853786"	301.105766	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-2H+Na"	20.974666
"1625870"	301.105766	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Na-2H"	20.974666
"106789"	297.112163	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M-H+Cl"	33.962126
"543067"	437.177713	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M-H+Cl"	33.962126
"933300"	157.046613	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-H+Cl"	33.962126
"274044"	595.231602	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+Cl"	34.969402
"669758"	875.362702	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+Cl"	34.969402
"1278879"	315.100502	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Cl"	34.969402
"20340"	597.210806	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M-2H+K"	36.948606
"465369"	877.341906	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M-2H+K"	36.948606
"835515"	317.079706	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-2H+K"	36.948606
"1557908"	317.079706	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+K-2H"	36.948606
"950167"	325.129294	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-H+HCOOH"	44.998194
"367289"	605.260401	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+HCOOH-H"	44.998201
"356640"	619.276051	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+Hac-H"	59.013851
"1503283"	339.144951	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Hac-H"	59.013851
"961346"	347.111251	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-H+NaCOOH"	66.980151
"121920"	315.100502	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+2Cl"	69.938804
"556011"	455.166052	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+2Cl"	69.938804
"1022258"	175.034952	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2Cl"	69.938804
"1242566"	359.049985	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Br"	78.918885
"1308663"	361.105972	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Cl+HCOOH"	80.974872
"1322514"	383.087929	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Cl+NaCOOH"	102.956829
"916495"	393.116686	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M-H+CF3COOH"	112.985586
"1295390"	429.093364	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Cl+CF3COOH"	148.962264
"1380117"	245.118424	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H-2H2O"	-35.012676
"1393966"	263.1284	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H-H2O"	-17.0027
"288548"	561.269476	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+H"	1.007276
"679876"	841.400576	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+H"	1.007276
"1358413"	281.138376	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H"	1.007276
"132394"	281.138376	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+2H"	2.014552
"576327"	421.203926	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+2H"	2.014552
"1048774"	141.072826	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2H"	2.014552
"216309"	187.761342666667	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+3H"	3.021828
"658057"	281.138376	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+3H"	3.021828
"1176180"	94.3843093333333	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+3H"	3.021828
"435079"	578.296023	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+NH4"	18.033823
"797168"	858.427123	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+NH4"	18.033823
"1685846"	298.164923	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+NH4"	18.033823
"341424"	289.6516495	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+H+NH4"	19.041099
"736884"	429.7171995	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+H+NH4"	19.041099
"1489123"	149.5860995	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H+NH4"	19.041099
"403429"	583.251418	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+Na"	22.989218
"768433"	863.382518	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+Na"	22.989218
"1617262"	303.120318	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Na"	22.989218
"327296"	292.129347	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+H+Na"	23.996494
"716802"	432.194897	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+H+Na"	23.996494
"1469892"	152.063797	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H+Na"	23.996494
"1064233"	101.711623333333	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2H+Na"	25.00377
"1268100"	313.164586	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+CH3OH+H"	33.033486
"386676"	599.225358	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+K"	38.963158
"745489"	879.356458	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+K"	38.963158
"1549726"	319.094258	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+K"	38.963158
"306904"	300.116317	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+H+K"	39.970434
"701513"	440.181867	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+H+K"	39.970434
"1457521"	160.050767	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H+K"	39.970434
"239561"	602.296026	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+ACN+H"	42.033826
"1216643"	322.164926	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+ACN+H"	42.033826
"1200524"	161.586101	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+ACN+2H"	43.041102
"202880"	605.23336	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+2Na-H"	44.97116
"641708"	885.36446	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+2Na-H"	44.97116
"1142663"	325.10226	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2Na-H"	44.97116
"183041"	303.120318	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+2Na"	45.978436
"620047"	443.185868	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+2Na"	45.978436
"1125742"	163.054768	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2Na"	45.978436
"1408536"	109.038937333333	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H+2Na"	46.985712
"1440652"	327.143846	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H+HCOOH"	47.012746
"227067"	308.15334	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+3H2O+2H"	56.04448
"1516222"	341.19589	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+IsoProp+H"	61.06479
"414817"	311.107288	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+Na+K"	61.952376
"776542"	451.172838	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+Na+K"	61.952376
"1675425"	171.041738	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Na+K"	61.952376
"259762"	624.277968	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+ACN+Na"	64.015768
"1233562"	344.146868	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+ACN+Na"	64.015768
"1721362"	344.170393	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+NH4+HCOOH"	64.039293
"1188904"	116.366251333333	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+3Na"	68.967654
"1657702"	349.125788	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Na+HCOOH"	68.994688
"160191"	637.18124	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+2K-H"	76.91904
"599752"	917.31234	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+2K-H"	76.91904
"1091922"	357.05014	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2K-H"	76.91904
"149834"	319.094258	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"2M+2K"	77.926316
"585385"	459.159808	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"3M+2K"	77.926316
"1079375"	179.028708	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2K"	77.926316
"1112585"	359.064692	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2K+H"	78.933592
"1348970"	359.152307	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+DMSO+H"	79.021207
"1017501"	363.191476	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2ACN+H"	83.060376
"1535628"	364.185108	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+IsoProp+Na+H"	84.054008
"1000981"	182.099376	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+2ACN+2H"	84.067652
"1598763"	365.099728	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+K+HCOOH"	84.968628
"1424426"	395.131238	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+H+CF3COOH"	115.000138
"1157995"	202.612651	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+3ACN+2H"	125.094202
"1704267"	412.157785	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+NH4+CF3COOH"	132.026685
"1649274"	417.11318	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+Na+CF3COOH"	136.98208
"1583222"	433.08712	"C09346"	"Autumnolide"	"C15H20O5"	"280.1311"	"M+K+CF3COOH"	152.95602
"803745"	305.0688	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M"	0
"975208"	286.05041	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-H2O-H"	-19.01839
"78088"	202.371924	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M-3H"	-3.021828
"515654"	304.061524	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M-3H"	-3.021828
"891636"	100.682324	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-3H"	-3.021828
"10208"	304.061524	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M-2H"	-2.014552
"448674"	456.595924	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M-2H"	-2.014552
"822100"	151.527124	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-2H"	-2.014552
"85369"	609.130324	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M-H"	-1.007276
"524930"	914.199124	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M-H"	-1.007276
"900548"	304.061524	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-H"	-1.007276
"53831"	626.156871	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M-2H+NH4"	16.019271
"494483"	931.225671	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M-2H+NH4"	16.019271
"871189"	321.088071	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-2H+NH4"	16.019271
"40181"	631.112266	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M-2H+Na"	20.974666
"476098"	936.181066	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M-2H+Na"	20.974666
"855355"	326.043466	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-2H+Na"	20.974666
"1625984"	326.043466	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Na-2H"	20.974666
"105806"	322.049863	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M-H+Cl"	33.962126
"540990"	474.584263	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M-H+Cl"	33.962126
"933410"	169.515463	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-H+Cl"	33.962126
"274154"	645.107002	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+Cl"	34.969402
"668775"	950.175802	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+Cl"	34.969402
"1280082"	340.038202	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Cl"	34.969402
"18264"	647.086206	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M-2H+K"	36.948606
"462199"	952.155006	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M-2H+K"	36.948606
"837812"	342.017406	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-2H+K"	36.948606
"1560206"	342.017406	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+K-2H"	36.948606
"945539"	350.066994	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-H+HCOOH"	44.998194
"364848"	655.135801	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+HCOOH-H"	44.998201
"353470"	669.151451	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+Hac-H"	59.013851
"1501208"	364.082651	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Hac-H"	59.013851
"959998"	372.048951	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-H+NaCOOH"	66.980151
"116564"	340.038202	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+2Cl"	69.938804
"553206"	492.572602	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+2Cl"	69.938804
"1022490"	187.503802	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2Cl"	69.938804
"1248874"	383.987685	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Br"	78.918885
"1306586"	386.043672	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Cl+HCOOH"	80.974872
"1325541"	408.025629	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Cl+NaCOOH"	102.956829
"915512"	418.054386	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M-H+CF3COOH"	112.985586
"1294405"	454.031064	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Cl+CF3COOH"	148.962264
"1379496"	270.056124	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H-2H2O"	-35.012676
"1394076"	288.0661	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H-H2O"	-17.0027
"291938"	611.144876	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+H"	1.007276
"679986"	916.213676	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+H"	1.007276
"1361075"	306.076076	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H"	1.007276
"135058"	306.076076	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+2H"	2.014552
"577534"	458.610476	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+2H"	2.014552
"1048156"	153.541676	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2H"	2.014552
"217513"	204.386476	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+3H"	3.021828
"658166"	306.076076	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+3H"	3.021828
"1173010"	102.696876	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+3H"	3.021828
"435189"	628.171423	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+NH4"	18.033823
"797278"	933.240223	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+NH4"	18.033823
"1689235"	323.102623	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+NH4"	18.033823
"339710"	314.5893495	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+H+NH4"	19.041099
"732130"	467.1237495	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+H+NH4"	19.041099
"1484859"	162.0549495	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H+NH4"	19.041099
"401352"	633.126818	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+Na"	22.989218
"762346"	938.195618	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+Na"	22.989218
"1614818"	328.058018	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Na"	22.989218
"322667"	317.067047	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+H+Na"	23.996494
"715816"	469.601447	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+H+Na"	23.996494
"1467815"	164.532647	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H+Na"	23.996494
"1056688"	110.02419	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2H+Na"	25.00377
"1272061"	338.102286	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+CH3OH+H"	33.033486
"386787"	649.100758	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+K"	38.963158
"750702"	954.169558	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+K"	38.963158
"1550930"	344.031958	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+K"	38.963158
"309201"	325.054017	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+H+K"	39.970434
"703446"	477.588417	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+H+K"	39.970434
"1459819"	172.519617	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H+K"	39.970434
"248418"	652.171426	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+ACN+H"	42.033826
"1218939"	347.102626	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+ACN+H"	42.033826
"1205008"	174.054951	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+ACN+2H"	43.041102
"201535"	655.10876	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+2Na-H"	44.97116
"642912"	960.17756	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+2Na-H"	44.97116
"1143870"	350.03996	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2Na-H"	44.97116
"178777"	328.058018	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+2Na"	45.978436
"621618"	480.592418	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+2Na"	45.978436
"1125853"	175.523618	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2Na"	45.978436
"1409741"	117.351504	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H+2Na"	46.985712
"1443318"	352.081546	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H+HCOOH"	47.012746
"224990"	333.09104	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+3H2O+2H"	56.04448
"1517061"	366.13359	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+IsoProp+H"	61.06479
"413829"	336.044988	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+Na+K"	61.952376
"774828"	488.579388	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+Na+K"	61.952376
"1674077"	183.510588	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Na+K"	61.952376
"259871"	674.153368	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+ACN+Na"	64.015768
"1232580"	369.084568	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+ACN+Na"	64.015768
"1718192"	369.108093	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+NH4+HCOOH"	64.039293
"1182453"	124.678818	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+3Na"	68.967654
"1657812"	374.063488	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Na+HCOOH"	68.994688
"157749"	687.05664	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+2K-H"	76.91904
"599862"	992.12544	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+2K-H"	76.91904
"1089845"	381.98784	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2K-H"	76.91904
"147758"	344.031958	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"2M+2K"	77.926316
"585131"	496.566358	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"3M+2K"	77.926316
"1077298"	191.497558	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2K"	77.926316
"1111602"	384.002392	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2K+H"	78.933592
"1346894"	384.090007	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+DMSO+H"	79.021207
"1013238"	388.129176	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2ACN+H"	83.060376
"1530270"	389.122808	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+IsoProp+Na+H"	84.054008
"998904"	194.568226	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+2ACN+2H"	84.067652
"1595593"	390.037428	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+K+HCOOH"	84.968628
"1420162"	420.068938	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+H+CF3COOH"	115.000138
"1158105"	215.081501	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+3ACN+2H"	125.094202
"1705470"	437.095485	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+NH4+CF3COOH"	132.026685
"1649384"	442.05088	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+Na+CF3COOH"	136.98208
"1583332"	458.02482	"C09347"	"Atherospermidine"	"C18H11NO4"	"305.0688"	"M+K+CF3COOH"	152.95602
"802153"	189.079	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M"	0
"975316"	170.06061	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-H2O-H"	-19.01839
"78251"	125.045390666667	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M-3H"	-3.021828
"512848"	188.071724	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M-3H"	-3.021828
"891745"	62.0190573333333	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-3H"	-3.021828
"8131"	188.071724	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M-2H"	-2.014552
"448784"	282.611224	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M-2H"	-2.014552
"822211"	93.532224	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-2H"	-2.014552
"84387"	377.150724	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M-H"	-1.007276
"527227"	566.229724	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M-H"	-1.007276
"901753"	188.071724	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-H"	-1.007276
"53941"	394.177271	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M-2H+NH4"	16.019271
"493500"	583.256271	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M-2H+NH4"	16.019271
"871300"	205.098271	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-2H+NH4"	16.019271
"38106"	399.132666	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M-2H+Na"	20.974666
"475844"	588.211666	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M-2H+Na"	20.974666
"855466"	210.053666	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-2H+Na"	20.974666
"1626093"	210.053666	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Na-2H"	20.974666
"101539"	206.060063	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M-H+Cl"	33.962126
"540007"	300.599563	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M-H+Cl"	33.962126
"933521"	111.520563	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-H+Cl"	33.962126
"274263"	413.127402	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+Cl"	34.969402
"661220"	602.206402	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+Cl"	34.969402
"1273743"	224.048402	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Cl"	34.969402
"18370"	415.106606	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M-2H+K"	36.948606
"462673"	604.185606	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M-2H+K"	36.948606
"837922"	226.027606	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-2H+K"	36.948606
"1562502"	226.027606	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+K-2H"	36.948606
"946742"	234.077194	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-H+HCOOH"	44.998194
"365687"	423.156201	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+HCOOH-H"	44.998201
"353944"	437.171851	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+Hac-H"	59.013851
"1503504"	248.092851	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Hac-H"	59.013851
"959865"	256.059151	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-H+NaCOOH"	66.980151
"118859"	224.048402	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+2Cl"	69.938804
"551735"	318.587902	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+2Cl"	69.938804
"1024300"	129.508902	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2Cl"	69.938804
"1247890"	267.997885	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Br"	78.918885
"1308154"	270.053872	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Cl+HCOOH"	80.974872
"1323828"	292.035829	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Cl+NaCOOH"	102.956829
"918903"	302.064586	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M-H+CF3COOH"	112.985586
"1293422"	338.041264	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Cl+CF3COOH"	148.962264
"1374866"	154.066324	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H-2H2O"	-35.012676
"1393822"	172.0763	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H-H2O"	-17.0027
"291684"	379.165276	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+H"	1.007276
"682283"	568.244276	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+H"	1.007276
"1355352"	190.086276	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H"	1.007276
"132615"	190.086276	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+2H"	2.014552
"571080"	284.625776	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+2H"	2.014552
"1048629"	95.546776	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2H"	2.014552
"214340"	127.059942666667	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+3H"	3.021828
"651714"	190.086276	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+3H"	3.021828
"1174213"	64.0336093333333	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+3H"	3.021828
"435299"	396.191823	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+NH4"	18.033823
"794107"	585.270823	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+NH4"	18.033823
"1685337"	207.112823	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+NH4"	18.033823
"337634"	198.5995495	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+H+NH4"	19.041099
"732241"	293.1390495	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+H+NH4"	19.041099
"1483877"	104.0600495	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H+NH4"	19.041099
"402555"	401.147218	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+Na"	22.989218
"762456"	590.226218	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+Na"	22.989218
"1614928"	212.068218	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Na"	22.989218
"321684"	201.077247	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+H+Na"	23.996494
"713011"	295.616747	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+H+Na"	23.996494
"1466832"	106.537747	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H+Na"	23.996494
"1060076"	71.3609233333333	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2H+Na"	25.00377
"1271238"	222.112486	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+CH3OH+H"	33.033486
"392000"	417.121158	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+K"	38.963158
"750081"	606.200158	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+K"	38.963158
"1552133"	228.042158	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+K"	38.963158
"310404"	209.064217	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+H+K"	39.970434
"702829"	303.603717	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+H+K"	39.970434
"1458834"	114.524717	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H+K"	39.970434
"248528"	420.191826	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+ACN+H"	42.033826
"1219048"	231.112826	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+ACN+H"	42.033826
"1206212"	116.060051	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+ACN+2H"	43.041102
"201269"	423.12916	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+2Na-H"	44.97116
"641928"	612.20816	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+2Na-H"	44.97116
"1143250"	234.05016	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2Na-H"	44.97116
"177793"	212.068218	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+2Na"	45.978436
"619541"	306.607718	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+2Na"	45.978436
"1127055"	117.528718	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2Na"	45.978436
"1408758"	78.6882373333333	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H+2Na"	46.985712
"1440873"	236.091746	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H+HCOOH"	47.012746
"224008"	217.10124	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+3H2O+2H"	56.04448
"1519725"	250.14379	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+IsoProp+H"	61.06479
"415033"	220.055188	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+Na+K"	61.952376
"773845"	314.594688	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+Na+K"	61.952376
"1673457"	125.515688	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Na+K"	61.952376
"263263"	442.173768	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+ACN+Na"	64.015768
"1230504"	253.094768	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+ACN+Na"	64.015768
"1720489"	253.118293	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+NH4+HCOOH"	64.039293
"1184750"	86.0155513333333	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+3Na"	68.967654
"1657922"	258.073688	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Na+HCOOH"	68.994688
"162599"	455.07704	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+2K-H"	76.91904
"603253"	644.15604	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+2K-H"	76.91904
"1094328"	265.99804	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2K-H"	76.91904
"152241"	228.042158	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"2M+2K"	77.926316
"592896"	322.581658	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"3M+2K"	77.926316
"1079595"	133.502658	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2K"	77.926316
"1111712"	268.012592	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2K+H"	78.933592
"1344818"	268.100207	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+DMSO+H"	79.021207
"1013347"	272.139376	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2ACN+H"	83.060376
"1533662"	273.133008	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+IsoProp+Na+H"	84.054008
"996829"	136.573326	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+2ACN+2H"	84.067652
"1597891"	274.047628	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+K+HCOOH"	84.968628
"1423549"	304.079138	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+H+CF3COOH"	115.000138
"1158216"	157.086601	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+3ACN+2H"	125.094202
"1707767"	321.105685	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+NH4+CF3COOH"	132.026685
"1648886"	326.06108	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+Na+CF3COOH"	136.98208
"1583442"	342.03502	"C09348"	"67-Dimethoxyisoquinoline;Backebergine"	"C11H11NO2"	"189.079"	"M+K+CF3COOH"	152.95602
"801477"	264.1362	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M"	0
"975062"	245.11781	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"78548"	175.083524	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"511865"	263.128924	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"892948"	87.038124	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"9335"	263.128924	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"449987"	395.197024	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"822321"	131.060824	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"84498"	527.265124	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"527338"	791.401324	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"900770"	263.128924	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"50771"	544.291671	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"494703"	808.427871	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"871409"	280.155471	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"39311"	549.247066	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"476319"	813.383266	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"857762"	285.110866	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1628390"	285.110866	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"98369"	281.117263	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"540117"	413.185363	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"933631"	149.049163	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"274373"	563.241802	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"661450"	827.378002	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1278106"	299.105602	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"16408"	565.221006	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"462783"	829.357206	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"838032"	301.084806	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1561519"	301.084806	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"945759"	309.134394	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"365068"	573.270601	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"354054"	587.286251	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1502521"	323.150051	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"959854"	331.116351	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"118969"	299.105602	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"554519"	431.173702	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1026597"	167.037502	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1246541"	343.055085	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1308264"	345.111072	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1325031"	367.093029	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"916825"	377.121786	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1291710"	413.098464	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1374976"	229.123524	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1389193"	247.1335	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"288878"	529.279676	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"680206"	793.415876	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1355462"	265.143476	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"132725"	265.143476	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"572283"	397.211576	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1046551"	133.075376	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"214450"	177.098076	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"651824"	265.143476	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1174323"	89.052676	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"431036"	546.306223	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"792031"	810.442423	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1683990"	282.170023	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"339930"	273.6567495	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"731258"	405.7248495	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1482891"	141.5886495	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"402664"	551.261618	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"759285"	815.397818	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1609569"	287.125418	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"321794"	276.134447	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"713121"	408.202547	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1466213"	144.066347	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1058000"	96.37999	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1270255"	297.169686	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"389195"	567.235558	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"746911"	831.371758	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1550786"	303.099358	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"309057"	284.121417	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"704033"	416.189517	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1457851"	152.053317	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"244266"	570.306226	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1219158"	306.170026	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1206322"	153.588651	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"199924"	573.24356	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"640580"	837.37976	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1144089"	309.10736	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"180091"	287.125418	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"622566"	419.193518	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1127530"	155.057318	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1408868"	103.707304	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1440983"	311.148946	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"225212"	292.15844	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1519836"	325.20099	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"412958"	295.112388	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"773955"	427.180488	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1676123"	163.044288	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"257905"	592.288168	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1234624"	328.151968	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1720599"	328.175493	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1184860"	111.034618	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1661313"	333.130888	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"160522"	605.19144	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"603363"	869.32764	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1093344"	341.05524	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"150165"	303.099358	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"588631"	435.167458	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1078613"	171.031258	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1110728"	343.069792	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1344927"	343.157407	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1014551"	347.196576	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1532676"	348.190208	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1001311"	174.101926	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1599094"	349.104828	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1420379"	379.136338	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1160147"	194.615201	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1707878"	396.162885	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1648997"	401.11828	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1583552"	417.09222	"C09349"	"Baileyin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"802009"	234.162	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M"	0
"975051"	215.14361	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"77849"	155.100724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"510880"	233.154724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"893058"	77.046724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"7258"	233.154724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"449004"	350.235724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"824618"	116.073724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"85703"	467.316724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"528542"	701.478724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"905250"	233.154724	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"53069"	484.343271	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"494815"	718.505271	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"869336"	250.181271	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"37236"	489.298666	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"476793"	723.460666	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"854592"	255.136666	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1624125"	255.136666	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"99572"	251.143063	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"540227"	368.224063	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"930461"	134.062063	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"269017"	503.293402	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"669093"	737.455402	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1283685"	269.131402	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"16317"	505.272606	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"463622"	739.434606	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"837048"	271.110606	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1561629"	271.110606	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"946598"	279.160194	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"364085"	513.322201	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"354893"	527.337851	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1504818"	293.175851	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"966891"	301.142151	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"115799"	269.131402	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"556453"	386.212402	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1028531"	152.050402	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1251392"	313.080885	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1310561"	315.136872	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1325869"	337.118829	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"916935"	347.147586	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1292549"	383.124264	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1378369"	199.149324	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1388210"	217.1593	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"291176"	469.331276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"687608"	703.493276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1361041"	235.169276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H"	1.007276
"135024"	235.169276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"574946"	352.250276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1045205"	118.088276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"214561"	157.115276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"655215"	235.169276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1171153"	79.061276	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"432239"	486.357823	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"796151"	720.519823	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1686287"	252.195823	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"340040"	243.6825495	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"730275"	360.7635495	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1483001"	126.6015495	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"403869"	491.313218	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"758302"	725.475218	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1607493"	257.151218	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"318625"	246.160247	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"713230"	363.241247	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1463408"	129.079247	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1057016"	86.38859	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1272597"	267.195486	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"387120"	507.287158	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"747020"	741.449158	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1550895"	273.125158	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+K"	38.963158
"306251"	254.147217	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"701954"	371.228217	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1456868"	137.066217	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"245467"	510.357826	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1218174"	276.195826	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1203153"	138.601551	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"199302"	513.29516	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"638867"	747.45716	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1143834"	279.13316	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"182388"	257.151218	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"621582"	374.232218	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1127275"	140.070218	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1410071"	93.715904	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1441093"	281.174746	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"225322"	262.18424	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1520310"	295.22679	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"413068"	265.138188	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"773335"	382.219188	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1672587"	148.057188	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"262754"	532.339768	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1234734"	298.177768	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1718522"	298.201293	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1187157"	101.043218	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1661424"	303.156688	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"171565"	545.24304	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"603474"	779.40504	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1095641"	311.08104	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"149180"	273.125158	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"588741"	390.206158	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1079814"	156.044158	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1110838"	313.095592	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1347222"	313.183207	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1016846"	317.222376	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1533877"	318.216008	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1001419"	159.114826	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1598109"	319.130628	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1425959"	349.162138	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1159526"	179.628101	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1712365"	366.188685	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1649859"	371.14408	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1583662"	387.11802	"C09350"	"Bakkenolide A"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"801790"	374.1366	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M"	0
"975528"	355.11821	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-H2O-H"	-19.01839
"76535"	248.417124	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M-3H"	-3.021828
"507710"	373.129324	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M-3H"	-3.021828
"887701"	123.704924	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-3H"	-3.021828
"6274"	373.129324	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M-2H"	-2.014552
"440483"	560.197624	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M-2H"	-2.014552
"821448"	186.061024	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-2H"	-2.014552
"81438"	747.265924	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M-H"	-1.007276
"522092"	1121.402524	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M-H"	-1.007276
"902080"	373.129324	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-H"	-1.007276
"48435"	764.292471	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M-2H+NH4"	16.019271
"488362"	1138.429071	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M-2H+NH4"	16.019271
"864706"	390.155871	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-2H+NH4"	16.019271
"32606"	769.247866	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M-2H+Na"	20.974666
"472892"	1143.384466	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M-2H+Na"	20.974666
"849601"	395.111266	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-2H+Na"	20.974666
"1618535"	395.111266	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Na-2H"	20.974666
"96402"	391.117663	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M-H+Cl"	33.962126
"544713"	578.185963	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M-H+Cl"	33.962126
"930571"	204.049363	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-H+Cl"	33.962126
"269127"	783.242602	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+Cl"	34.969402
"669203"	1157.379202	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+Cl"	34.969402
"1281608"	409.106002	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Cl"	34.969402
"16346"	785.221806	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M-2H+K"	36.948606
"457530"	1159.358406	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M-2H+K"	36.948606
"834601"	411.085206	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-2H+K"	36.948606
"1557724"	411.085206	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+K-2H"	36.948606
"943792"	419.134794	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-H+HCOOH"	44.998194
"366748"	793.271401	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+HCOOH-H"	44.998201
"351724"	807.287051	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+Hac-H"	59.013851
"1494722"	433.150451	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Hac-H"	59.013851
"960805"	441.116751	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-H+NaCOOH"	66.980151
"112629"	409.106002	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+2Cl"	69.938804
"554375"	596.174302	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+2Cl"	69.938804
"1027548"	222.037702	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2Cl"	69.938804
"1247127"	453.055485	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Br"	78.918885
"1306663"	455.111472	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Cl+HCOOH"	80.974872
"1322699"	477.093429	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Cl+NaCOOH"	102.956829
"917045"	487.122186	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M-H+CF3COOH"	112.985586
"1291566"	523.098864	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Cl+CF3COOH"	148.962264
"1379207"	339.123924	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H-2H2O"	-35.012676
"1391601"	357.1339	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H-H2O"	-17.0027
"292380"	749.280476	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+H"	1.007276
"687718"	1123.417076	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+H"	1.007276
"1361151"	375.143876	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H"	1.007276
"135134"	375.143876	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+2H"	2.014552
"575784"	562.212176	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+2H"	2.014552
"1045679"	188.075576	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2H"	2.014552
"217223"	250.431676	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+3H"	3.021828
"655325"	375.143876	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+3H"	3.021828
"1171263"	125.719476	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+3H"	3.021828
"434172"	766.307023	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+NH4"	18.033823
"796261"	1140.443623	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+NH4"	18.033823
"1686397"	392.170423	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+NH4"	18.033823
"340150"	383.6571495	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+H+NH4"	19.041099
"731478"	570.7254495	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+H+NH4"	19.041099
"1484204"	196.5888495	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H+NH4"	19.041099
"401793"	771.262418	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+Na"	22.989218
"759505"	1145.399018	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+Na"	22.989218
"1607603"	397.125818	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Na"	22.989218
"318735"	386.134847	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+H+Na"	23.996494
"712247"	573.203147	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+H+Na"	23.996494
"1463154"	199.066547	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H+Na"	23.996494
"1056033"	133.04679	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2H+Na"	25.00377
"1267561"	407.170086	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+CH3OH+H"	33.033486
"385043"	787.236358	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+K"	38.963158
"742757"	1161.372958	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+K"	38.963158
"1549183"	413.099758	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+K"	38.963158
"306359"	394.121817	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+H+K"	39.970434
"696595"	581.190117	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+H+K"	39.970434
"1453698"	207.053517	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H+K"	39.970434
"242300"	790.307026	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+ACN+H"	42.033826
"1213913"	416.170426	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+ACN+H"	42.033826
"1199982"	208.588851	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+ACN+2H"	43.041102
"198319"	793.24436	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+2Na-H"	44.97116
"635697"	1167.38096	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+2Na-H"	44.97116
"1140300"	419.10776	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2Na-H"	44.97116
"178123"	397.125818	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+2Na"	45.978436
"619869"	584.194118	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+2Na"	45.978436
"1125198"	210.057518	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2Na"	45.978436
"1406170"	140.374104	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H+2Na"	46.985712
"1439379"	421.149346	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H+HCOOH"	47.012746
"225433"	402.15884	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+3H2O+2H"	56.04448
"1515682"	435.20139	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+IsoProp+H"	61.06479
"409898"	405.112788	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+Na+K"	61.952376
"770527"	592.181088	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+Na+K"	61.952376
"1671604"	218.044488	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Na+K"	61.952376
"262864"	812.288968	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+ACN+Na"	64.015768
"1234844"	438.152368	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+ACN+Na"	64.015768
"1720819"	438.175893	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+NH4+HCOOH"	64.039293
"1188360"	147.701418	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+3Na"	68.967654
"1661534"	443.131288	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Na+HCOOH"	68.994688
"169488"	825.19224	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+2K-H"	76.91904
"601397"	1199.32884	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+2K-H"	76.91904
"1095751"	451.05564	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2K-H"	76.91904
"150383"	413.099758	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"2M+2K"	77.926316
"591037"	600.168058	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"3M+2K"	77.926316
"1081017"	226.031458	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2K"	77.926316
"1112040"	453.070192	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2K+H"	78.933592
"1345145"	453.157807	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+DMSO+H"	79.021207
"1014769"	457.196976	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2ACN+H"	83.060376
"1530707"	458.190608	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+IsoProp+Na+H"	84.054008
"1002623"	229.102126	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+2ACN+2H"	84.067652
"1598219"	459.105228	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+K+HCOOH"	84.968628
"1427162"	489.136738	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+H+CF3COOH"	115.000138
"1158543"	249.615401	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+3ACN+2H"	125.094202
"1709922"	506.163285	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+NH4+CF3COOH"	132.026685
"1647030"	511.11868	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+Na+CF3COOH"	136.98208
"1583772"	527.09262	"C09351"	"Budlein A"	"C20H22O7"	"374.1366"	"M+K+CF3COOH"	152.95602
"804294"	594.273	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M"	0
"978919"	575.25461	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-H2O-H"	-19.01839
"74822"	395.174724	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M-3H"	-3.021828
"507820"	593.265724	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M-3H"	-3.021828
"887811"	197.083724	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-3H"	-3.021828
"7477"	593.265724	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M-2H"	-2.014552
"441080"	890.402224	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M-2H"	-2.014552
"817910"	296.129224	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-2H"	-2.014552
"81549"	1187.538724	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M-H"	-1.007276
"521108"	1781.811724	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M-H"	-1.007276
"902190"	593.265724	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-H"	-1.007276
"49273"	1204.565271	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M-2H+NH4"	16.019271
"488836"	1798.838271	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M-2H+NH4"	16.019271
"865905"	610.292271	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-2H+NH4"	16.019271
"33809"	1209.520666	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M-2H+Na"	20.974666
"473852"	1803.793666	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M-2H+Na"	20.974666
"850317"	615.247666	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-2H+Na"	20.974666
"1618835"	615.247666	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Na-2H"	20.974666
"96509"	611.254063	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M-H+Cl"	33.962126
"547009"	908.390563	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M-H+Cl"	33.962126
"930681"	314.117563	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-H+Cl"	33.962126
"271423"	1223.515402	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+Cl"	34.969402
"668219"	1817.788402	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+Cl"	34.969402
"1281718"	629.242402	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Cl"	34.969402
"18807"	1225.494606	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M-2H+K"	36.948606
"458733"	1819.767606	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M-2H+K"	36.948606
"835441"	631.221606	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-2H+K"	36.948606
"1559293"	631.221606	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+K-2H"	36.948606
"942935"	639.271194	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-H+HCOOH"	44.998194
"362837"	1233.544201	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+HCOOH-H"	44.998201
"350739"	1247.559851	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+Hac-H"	59.013851
"1494102"	653.286851	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Hac-H"	59.013851
"961643"	661.253151	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-H+NaCOOH"	66.980151
"112372"	629.242402	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+2Cl"	69.938804
"551933"	926.378902	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+2Cl"	69.938804
"1025835"	332.105902	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2Cl"	69.938804
"1246143"	673.191885	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Br"	78.918885
"1307501"	675.247872	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Cl+HCOOH"	80.974872
"1322808"	697.229829	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Cl+NaCOOH"	102.956829
"914969"	707.258586	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M-H+CF3COOH"	112.985586
"1291311"	743.235264	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Cl+CF3COOH"	148.962264
"1375306"	559.260324	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H-2H2O"	-35.012676
"1391710"	577.2703	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H-H2O"	-17.0027
"289208"	1189.553276	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+H"	1.007276
"679443"	1783.826276	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+H"	1.007276
"1360896"	595.280276	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H"	1.007276
"136336"	595.280276	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+2H"	2.014552
"573708"	892.416776	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+2H"	2.014552
"1042509"	298.143776	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2H"	2.014552
"212595"	397.189276	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+3H"	3.021828
"651062"	595.280276	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+3H"	3.021828
"1170280"	199.098276	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+3H"	3.021828
"432460"	1206.579823	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+NH4"	18.033823
"796735"	1800.852823	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+NH4"	18.033823
"1687600"	612.306823	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+NH4"	18.033823
"342447"	603.7935495	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+H+NH4"	19.041099
"733774"	900.9300495	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+H+NH4"	19.041099
"1486501"	306.6570495	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H+NH4"	19.041099
"404089"	1211.535218	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+Na"	22.989218
"765083"	1805.808218	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+Na"	22.989218
"1609901"	617.262218	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Na"	22.989218
"322125"	606.271247	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+H+Na"	23.996494
"713451"	903.407747	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+H+Na"	23.996494
"1464722"	309.134747	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H+Na"	23.996494
"1057236"	206.42559	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2H+Na"	25.00377
"1266576"	627.306486	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+CH3OH+H"	33.033486
"386246"	1227.509158	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+K"	38.963158
"742867"	1821.782158	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+K"	38.963158
"1543826"	633.236158	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+K"	38.963158
"306469"	614.258217	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+H+K"	39.970434
"694882"	911.394717	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+H+K"	39.970434
"1453807"	317.121717	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H+K"	39.970434
"244595"	1230.579826	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+ACN+H"	42.033826
"1214023"	636.306826	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+ACN+H"	42.033826
"1200092"	318.657051	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+ACN+2H"	43.041102
"197336"	1233.51716	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+2Na-H"	44.97116
"636900"	1827.79016	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+2Na-H"	44.97116
"1141869"	639.24416	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2Na-H"	44.97116
"180421"	617.262218	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+2Na"	45.978436
"621074"	914.398718	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+2Na"	45.978436
"1127860"	320.125718	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2Na"	45.978436
"1405915"	213.752904	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H+2Na"	46.985712
"1440218"	641.285746	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H+HCOOH"	47.012746
"223357"	622.29524	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+3H2O+2H"	56.04448
"1513605"	655.33779	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+IsoProp+H"	61.06479
"411101"	625.249188	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+Na+K"	61.952376
"771004"	922.385688	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+Na+K"	61.952376
"1670621"	328.112688	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Na+K"	61.952376
"263705"	1252.561768	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+ACN+Na"	64.015768
"1237506"	658.288768	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+ACN+Na"	64.015768
"1720928"	658.312293	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+NH4+HCOOH"	64.039293
"1191749"	221.080218	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+3Na"	68.967654
"1657270"	663.267688	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Na+HCOOH"	68.994688
"167410"	1265.46504	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+2K-H"	76.91904
"602600"	1859.73804	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+2K-H"	76.91904
"1096954"	671.19204	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2K-H"	76.91904
"150493"	633.236158	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"2M+2K"	77.926316
"591147"	930.372658	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"3M+2K"	77.926316
"1080034"	336.099658	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2K"	77.926316
"1112515"	673.206592	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2K+H"	78.933592
"1346348"	673.294207	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+DMSO+H"	79.021207
"1018526"	677.333376	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2ACN+H"	83.060376
"1533004"	678.327008	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+IsoProp+Na+H"	84.054008
"1001639"	339.170326	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+2ACN+2H"	84.067652
"1599422"	679.241628	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+K+HCOOH"	84.968628
"1427271"	709.273138	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+H+CF3COOH"	115.000138
"1157559"	359.683601	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+3ACN+2H"	125.094202
"1710032"	726.299685	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+NH4+CF3COOH"	132.026685
"1648233"	731.25508	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+Na+CF3COOH"	136.98208
"1583882"	747.22902	"C09352"	"()-Bebeerine;Bebeerine"	"C36H38N2O6"	"594.273"	"M+K+CF3COOH"	152.95602
"802218"	344.126	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M"	0
"976842"	325.10761	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-H2O-H"	-19.01839
"74932"	228.410057333333	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M-3H"	-3.021828
"505743"	343.118724	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M-3H"	-3.021828
"889014"	113.701390666667	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-3H"	-3.021828
"4307"	343.118724	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M-2H"	-2.014552
"443863"	515.181724	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M-2H"	-2.014552
"822758"	171.055724	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-2H"	-2.014552
"82752"	687.244724	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M-H"	-1.007276
"524497"	1031.370724	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M-H"	-1.007276
"903393"	343.118724	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-H"	-1.007276
"48414"	704.271271	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M-2H+NH4"	16.019271
"489311"	1048.397271	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M-2H+NH4"	16.019271
"866019"	360.145271	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-2H+NH4"	16.019271
"35378"	709.226666	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M-2H+Na"	20.974666
"475298"	1053.352666	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M-2H+Na"	20.974666
"852736"	365.100666	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-2H+Na"	20.974666
"1620205"	365.100666	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Na-2H"	20.974666
"96619"	361.107063	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M-H+Cl"	33.962126
"537273"	533.170063	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M-H+Cl"	33.962126
"934071"	189.044063	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-H+Cl"	33.962126
"274814"	723.221402	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+Cl"	34.969402
"667237"	1067.347402	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+Cl"	34.969402
"1285108"	379.095402	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Cl"	34.969402
"18919"	725.200606	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M-2H+K"	36.948606
"459573"	1069.326606	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M-2H+K"	36.948606
"841747"	381.074606	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-2H+K"	36.948606
"1560862"	381.074606	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+K-2H"	36.948606
"945830"	389.124194	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-H+HCOOH"	44.998194
"364408"	733.250201	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+HCOOH-H"	44.998201
"347568"	747.265851	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+Hac-H"	59.013851
"1494209"	403.139851	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Hac-H"	59.013851
"961389"	411.106151	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-H+NaCOOH"	66.980151
"115396"	379.095402	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+2Cl"	69.938804
"554228"	551.158402	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+2Cl"	69.938804
"1028861"	207.032402	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2Cl"	69.938804
"1249533"	423.044885	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Br"	78.918885
"1306881"	425.100872	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Cl+HCOOH"	80.974872
"1322553"	447.082829	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Cl+NaCOOH"	102.956829
"912157"	457.111586	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M-H+CF3COOH"	112.985586
"1289471"	493.088264	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Cl+CF3COOH"	148.962264
"1374323"	309.113324	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H-2H2O"	-35.012676
"1385986"	327.1233	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H-H2O"	-17.0027
"286766"	689.259276	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+H"	1.007276
"679917"	1033.385276	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+H"	1.007276
"1361370"	345.133276	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H"	1.007276
"137905"	345.133276	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+2H"	2.014552
"573818"	517.196276	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+2H"	2.014552
"1045900"	173.070276	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2H"	2.014552
"213799"	230.424609333333	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+3H"	3.021828
"653360"	345.133276	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+3H"	3.021828
"1168203"	115.715942666667	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+3H"	3.021828
"432570"	706.285823	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+NH4"	18.033823
"793565"	1050.411823	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+NH4"	18.033823
"1686619"	362.159823	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+NH4"	18.033823
"343650"	353.6465495	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+H+NH4"	19.041099
"731697"	525.7095495	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+H+NH4"	19.041099
"1492445"	181.5835495	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H+NH4"	19.041099
"404198"	711.241218	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+Na"	22.989218
"765194"	1055.367218	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+Na"	22.989218
"1613291"	367.115218	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Na"	22.989218
"324420"	356.124247	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+H+Na"	23.996494
"715747"	528.187247	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+H+Na"	23.996494
"1466289"	184.061247	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H+Na"	23.996494
"1057345"	123.043256666667	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2H+Na"	25.00377
"1268873"	377.159486	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+CH3OH+H"	33.033486
"388543"	727.215158	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+K"	38.963158
"742977"	1071.341158	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+K"	38.963158
"1543937"	383.089158	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+K"	38.963158
"306579"	364.111217	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+H+K"	39.970434
"693535"	536.174217	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+H+K"	39.970434
"1457197"	192.048217	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H+K"	39.970434
"244707"	730.285826	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+ACN+H"	42.033826
"1217413"	386.159826	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+ACN+H"	42.033826
"1203482"	193.583551	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+ACN+2H"	43.041102
"199634"	733.22316	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+2Na-H"	44.97116
"639197"	1077.34916	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+2Na-H"	44.97116
"1141614"	389.09716	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2Na-H"	44.97116
"177251"	367.115218	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+2Na"	45.978436
"621183"	539.178218	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+2Na"	45.978436
"1126876"	195.052218	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2Na"	45.978436
"1410399"	130.370570666667	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H+2Na"	46.985712
"1438141"	391.138746	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H+HCOOH"	47.012746
"226741"	372.14824	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+3H2O+2H"	56.04448
"1514803"	405.19079	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+IsoProp+H"	61.06479
"411210"	375.102188	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+Na+K"	61.952376
"771597"	547.165188	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+Na+K"	61.952376
"1676198"	203.039188	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Na+K"	61.952376
"264543"	752.267768	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+ACN+Na"	64.015768
"1237617"	408.141768	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+ACN+Na"	64.015768
"1719943"	408.165293	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+NH4+HCOOH"	64.039293
"1183110"	137.697884666667	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+3Na"	68.967654
"1657380"	413.120688	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Na+HCOOH"	68.994688
"167520"	765.17104	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+2K-H"	76.91904
"599430"	1109.29704	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+2K-H"	76.91904
"1092690"	421.04504	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2K-H"	76.91904
"148415"	383.089158	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"2M+2K"	77.926316
"591257"	555.152158	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"3M+2K"	77.926316
"1072489"	211.026158	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2K"	77.926316
"1100714"	423.059592	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2K+H"	78.933592
"1340990"	423.147207	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+DMSO+H"	79.021207
"1009519"	427.186376	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2ACN+H"	83.060376
"1533114"	428.180008	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+IsoProp+Na+H"	84.054008
"1002842"	214.096826	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+2ACN+2H"	84.067652
"1592971"	429.094628	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+K+HCOOH"	84.968628
"1426288"	459.126138	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+H+CF3COOH"	115.000138
"1160951"	234.610101	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+3ACN+2H"	125.094202
"1708317"	476.152685	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+NH4+CF3COOH"	132.026685
"1648342"	481.10808	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+Na+CF3COOH"	136.98208
"1583992"	497.08202	"C09353"	"Calaxin"	"C19H20O6"	"344.126"	"M+K+CF3COOH"	152.95602
"801841"	278.1154	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M"	0
"978045"	259.09701	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-H2O-H"	-19.01839
"75042"	184.402990666667	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M-3H"	-3.021828
"505853"	277.108124	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M-3H"	-3.021828
"889124"	91.6978573333333	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-3H"	-3.021828
"4417"	277.108124	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M-2H"	-2.014552
"446159"	416.165824	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M-2H"	-2.014552
"822868"	138.050424	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-2H"	-2.014552
"87234"	555.223524	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M-H"	-1.007276
"528980"	833.338924	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M-H"	-1.007276
"907877"	277.108124	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-H"	-1.007276
"52412"	572.250071	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M-2H+NH4"	16.019271
"495252"	850.365471	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M-2H+NH4"	16.019271
"870867"	294.134671	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-2H+NH4"	16.019271
"37674"	577.205466	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M-2H+Na"	20.974666
"481607"	855.320866	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M-2H+Na"	20.974666
"856128"	299.090066	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-2H+Na"	20.974666
"1621653"	299.090066	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Na-2H"	20.974666
"97823"	295.096463	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M-H+Cl"	33.962126
"537383"	434.154163	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M-H+Cl"	33.962126
"930898"	156.038763	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-H+Cl"	33.962126
"271643"	591.200202	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+Cl"	34.969402
"661388"	869.315602	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+Cl"	34.969402
"1281937"	313.084802	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Cl"	34.969402
"22309"	593.179406	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M-2H+K"	36.948606
"462963"	871.294806	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M-2H+K"	36.948606
"844044"	315.064006	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-2H+K"	36.948606
"1562065"	315.064006	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+K-2H"	36.948606
"947762"	323.113594	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-H+HCOOH"	44.998194
"365248"	601.229001	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+HCOOH-H"	44.998201
"350958"	615.244651	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+Hac-H"	59.013851
"1495412"	337.129251	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Hac-H"	59.013851
"967331"	345.095551	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-H+NaCOOH"	66.980151
"122799"	313.084802	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+2Cl"	69.938804
"556892"	452.142502	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+2Cl"	69.938804
"1035169"	174.027102	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2Cl"	69.938804
"1252924"	357.034285	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Br"	78.918885
"1308811"	359.090272	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Cl+HCOOH"	80.974872
"1324121"	381.072229	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Cl+NaCOOH"	102.956829
"912388"	391.100986	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M-H+CF3COOH"	112.985586
"1290069"	427.077664	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Cl+CF3COOH"	148.962264
"1368234"	243.102724	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H-2H2O"	-35.012676
"1383903"	261.1127	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H-H2O"	-17.0027
"287604"	557.238076	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+H"	1.007276
"680391"	835.353476	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+H"	1.007276
"1361116"	279.122676	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H"	1.007276
"137286"	279.122676	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+2H"	2.014552
"573928"	418.180376	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+2H"	2.014552
"1047833"	140.064976	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2H"	2.014552
"214639"	186.417542666667	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+3H"	3.021828
"657480"	279.122676	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+3H"	3.021828
"1172688"	93.7124093333334	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+3H"	3.021828
"431587"	574.264623	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+NH4"	18.033823
"796958"	852.380023	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+NH4"	18.033823
"1687822"	296.149223	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+NH4"	18.033823
"343760"	287.6359495	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+H+NH4"	19.041099
"733994"	426.6936495	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+H+NH4"	19.041099
"1492315"	148.5782495	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H+NH4"	19.041099
"406495"	579.220018	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+Na"	22.989218
"766399"	857.335418	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+Na"	22.989218
"1614496"	301.104618	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Na"	22.989218
"327813"	290.113647	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+H+Na"	23.996494
"715858"	429.171347	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+H+Na"	23.996494
"1469680"	151.055947	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H+Na"	23.996494
"1058550"	101.039723333333	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2H+Na"	25.00377
"1267890"	311.148886	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+CH3OH+H"	33.033486
"389746"	595.193958	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+K"	38.963158
"743087"	873.309358	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+K"	38.963158
"1542224"	317.078558	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+K"	38.963158
"306689"	298.100617	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+H+K"	39.970434
"694737"	437.158317	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+H+K"	39.970434
"1456213"	159.042917	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H+K"	39.970434
"245910"	598.264626	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+ACN+H"	42.033826
"1222990"	320.149226	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+ACN+H"	42.033826
"1206873"	160.578251	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+ACN+2H"	43.041102
"199747"	601.20196	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+2Na-H"	44.97116
"640038"	879.31736	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+2Na-H"	44.97116
"1142817"	323.08656	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2Na-H"	44.97116
"180642"	301.104618	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+2Na"	45.978436
"625302"	440.162318	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+2Na"	45.978436
"1125892"	162.046918	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2Na"	45.978436
"1411602"	108.367037333333	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H+2Na"	46.985712
"1440438"	325.128146	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H+HCOOH"	47.012746
"231955"	306.13764	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+3H2O+2H"	56.04448
"1521474"	339.18019	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+IsoProp+H"	61.06479
"421159"	309.091588	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+Na+K"	61.952376
"774866"	448.149288	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+Na+K"	61.952376
"1676309"	170.033888	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Na+K"	61.952376
"264289"	620.246568	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+ACN+Na"	64.015768
"1233353"	342.131168	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+ACN+Na"	64.015768
"1716774"	342.154693	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+NH4+HCOOH"	64.039293
"1181034"	115.694351333333	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+3Na"	68.967654
"1659676"	347.110088	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Na+HCOOH"	68.994688
"164350"	633.14984	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+2K-H"	76.91904
"598806"	911.26524	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+2K-H"	76.91904
"1092799"	355.03444	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2K-H"	76.91904
"149619"	317.078558	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"2M+2K"	77.926316
"589180"	456.136258	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"3M+2K"	77.926316
"1074786"	178.020858	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2K"	77.926316
"1100703"	357.048992	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2K+H"	78.933592
"1340007"	357.136607	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+DMSO+H"	79.021207
"1006338"	361.175776	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2ACN+H"	83.060376
"1529942"	362.169408	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+IsoProp+Na+H"	84.054008
"999673"	181.091526	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+2ACN+2H"	84.067652
"1590894"	363.084028	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+K+HCOOH"	84.968628
"1420929"	393.115538	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+H+CF3COOH"	115.000138
"1155592"	201.604801	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+3ACN+2H"	125.094202
"1708427"	410.142085	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+NH4+CF3COOH"	132.026685
"1647724"	415.09748	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+Na+CF3COOH"	136.98208
"1584102"	431.07142	"C09354"	"Canin"	"C15H18O5"	"278.1154"	"M+K+CF3COOH"	152.95602
"807905"	264.1362	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M"	0
"982529"	245.11781	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"67494"	175.083524	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"508149"	263.128924	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"891422"	87.038124	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"3435"	263.128924	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"448460"	395.197024	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"824072"	131.060824	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"91720"	527.265124	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"532008"	791.401324	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"909083"	263.128924	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"54711"	544.291671	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"494269"	808.427871	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"869887"	280.155471	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"35600"	549.247066	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"474429"	813.383266	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"851864"	285.110866	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1620307"	285.110866	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"100122"	281.117263	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"540773"	413.185363	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"931008"	149.049163	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"271753"	563.241802	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"668549"	827.378002	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1285327"	299.105602	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"27884"	565.221006	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"465261"	829.357206	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"845251"	301.084806	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1565457"	301.084806	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"948236"	309.134394	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"365360"	573.270601	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"348152"	587.286251	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1498442"	323.150051	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"968537"	331.116351	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"121819"	299.105602	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"561014"	431.173702	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1032369"	167.037502	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1254497"	343.055085	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1309653"	345.111072	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1325328"	367.093029	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"914199"	377.121786	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1290908"	413.098464	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1369070"	229.123524	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1384746"	247.1335	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"289538"	529.279676	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"679772"	793.415876	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1359402"	265.143476	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"131197"	265.143476	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"575130"	397.211576	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1046119"	133.075376	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"214020"	177.098076	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"656860"	265.143476	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1175715"	89.052676	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"434977"	546.306223	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"795975"	810.442423	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1692305"	282.170023	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"342777"	273.6567495	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"734105"	405.7248495	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1491210"	141.5886495	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"407703"	551.261618	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"769715"	815.397818	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1615705"	287.125418	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"327923"	276.134447	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"721195"	408.202547	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1474164"	144.066347	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1064130"	96.37999	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1266907"	297.169686	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"387671"	567.235558	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"742105"	831.371758	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1547437"	303.099358	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"306799"	284.121417	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"697034"	416.189517	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1457417"	152.053317	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"248576"	570.306226	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1222738"	306.170026	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1206987"	153.588651	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"201680"	573.24356	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"642336"	837.37976	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1145843"	309.10736	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"186949"	287.125418	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"626873"	419.193518	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1131114"	155.057318	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1413862"	103.707304	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1439456"	311.148946	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"232430"	292.15844	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1520493"	325.20099	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"419082"	295.112388	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"775708"	427.180488	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1678971"	163.044288	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"265493"	592.288168	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1233464"	328.151968	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1727941"	328.175493	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1184425"	111.034618	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1658693"	333.130888	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"167741"	605.19144	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"600741"	869.32764	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1088534"	341.05524	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"149729"	303.099358	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"588197"	435.167458	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1071616"	171.031258	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1101298"	343.069792	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1336226"	343.157407	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1007059"	347.196576	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1527865"	348.190208	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"995408"	174.101926	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1593191"	349.104828	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1415692"	379.136338	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1155702"	194.615201	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1708537"	396.162885	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1647469"	401.11828	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1584212"	417.09222	"C09355"	"Chamissonin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"812392"	348.1573	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M"	0
"981550"	329.13891	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"70886"	231.097590666667	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"509353"	347.150024	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"890439"	115.045157333333	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"7919"	347.150024	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"447477"	521.228674	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"825277"	173.071374	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"89643"	695.307324	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"530298"	1043.464624	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"903726"	347.150024	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"51544"	712.333871	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"495477"	1060.491171	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"875466"	364.176571	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"41179"	717.289266	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"473447"	1065.446566	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"849790"	369.131966	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1622602"	369.131966	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"99137"	365.138363	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"538696"	539.217013	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"930024"	191.059713	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"270768"	731.284002	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"671940"	1079.441302	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1284344"	383.126702	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"24714"	733.263206	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"466461"	1081.420506	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"845358"	385.105906	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1564473"	385.105906	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"946161"	393.155494	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"365104"	741.312801	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"348262"	755.328451	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1502929"	407.171151	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"968649"	415.137451	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"121929"	383.126702	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"563678"	557.205352	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1034300"	209.048052	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1253146"	427.076185	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1313411"	429.132172	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1323616"	451.114129	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"912123"	461.142886	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1291018"	497.119564	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1372466"	313.144624	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1388867"	331.1546	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"289648"	697.321876	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"679882"	1045.479176	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1359512"	349.164576	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"137868"	349.164576	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"575241"	523.243226	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1049510"	175.085926	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"217776"	233.112142666667	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"659727"	349.164576	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1176559"	117.059709333333	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"431807"	714.348423	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"798273"	1062.505723	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1691322"	366.191123	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"345453"	357.6778495	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"737623"	531.7564995	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1492720"	183.5991995	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"408429"	719.303818	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"769820"	1067.461118	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1618277"	371.146518	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"329255"	360.155547	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"722038"	534.234197	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1476104"	186.076897	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1064972"	124.387023333333	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1271026"	381.190786	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"391429"	735.277758	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"751332"	1083.435058	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1553385"	387.120458	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"312746"	368.142517	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"706305"	542.221167	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1459352"	194.063867	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"251077"	738.348426	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1224673"	390.191126	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1208556"	195.599201	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"203380"	741.28576	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"642941"	1089.44306	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1146445"	393.12846	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"187669"	371.146518	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"627961"	545.225168	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1131062"	197.067868	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1413814"	131.714337333333	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1445326"	395.170046	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"227078"	376.17954	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1521336"	409.22209	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"420291"	379.133488	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"776913"	553.212138	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1675435"	205.054838	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"266942"	760.330368	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1234669"	412.173068	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1726469"	412.196593	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1185629"	139.041651333333	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1662083"	417.151988	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"167851"	773.23364	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"600853"	1121.39094	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1091926"	425.07634	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"148746"	387.120458	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"587213"	561.199108	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1073913"	213.041808	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1101649"	427.090892	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1337187"	427.178507	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1005959"	431.217676	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1527975"	432.211308	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"993331"	216.112476	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1591114"	433.125928	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1415802"	463.157438	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1155812"	236.625751	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1708647"	480.183985	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1645392"	485.13938	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1581041"	501.11332	"C09356"	"Chamissonin diacetate"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"808125"	608.2886	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M"	0
"981657"	589.27021	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-H2O-H"	-19.01839
"64435"	404.518457333333	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M-3H"	-3.021828
"506183"	607.281324	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M-3H"	-3.021828
"890549"	201.755590666667	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-3H"	-3.021828
"6935"	607.281324	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M-2H"	-2.014552
"445398"	911.425624	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M-2H"	-2.014552
"824292"	303.137024	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-2H"	-2.014552
"89753"	1215.569924	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M-H"	-1.007276
"527127"	1823.858524	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M-H"	-1.007276
"904929"	607.281324	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-H"	-1.007276
"54932"	1232.596471	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M-2H+NH4"	16.019271
"490116"	1840.885071	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M-2H+NH4"	16.019271
"865731"	624.307871	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-2H+NH4"	16.019271
"32783"	1237.551866	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M-2H+Na"	20.974666
"471607"	1845.840466	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M-2H+Na"	20.974666
"850018"	629.263266	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-2H+Na"	20.974666
"1619432"	629.263266	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Na-2H"	20.974666
"98154"	625.269663	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M-H+Cl"	33.962126
"535526"	929.413963	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M-H+Cl"	33.962126
"927171"	321.125363	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-H+Cl"	33.962126
"267352"	1251.546602	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+Cl"	34.969402
"660219"	1859.835202	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+Cl"	34.969402
"1284090"	643.258002	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Cl"	34.969402
"28104"	1253.525806	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M-2H+K"	36.948606
"463290"	1861.814406	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M-2H+K"	36.948606
"836718"	645.237206	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-2H+K"	36.948606
"1563852"	645.237206	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+K-2H"	36.948606
"947365"	653.286794	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-H+HCOOH"	44.998194
"364121"	1261.575401	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+HCOOH-H"	44.998201
"349100"	1275.591051	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+Hac-H"	59.013851
"1498299"	667.302451	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Hac-H"	59.013851
"966208"	675.268751	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-H+NaCOOH"	66.980151
"121312"	643.258002	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+2Cl"	69.938804
"560142"	947.402302	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+2Cl"	69.938804
"1032590"	339.113702	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2Cl"	69.938804
"1255447"	687.207485	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Br"	78.918885
"1313521"	689.263472	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Cl+HCOOH"	80.974872
"1325183"	711.245429	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Cl+NaCOOH"	102.956829
"912474"	721.274186	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M-H+CF3COOH"	112.985586
"1291129"	757.250864	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Cl+CF3COOH"	148.962264
"1372577"	573.275924	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H-2H2O"	-35.012676
"1386425"	591.2859	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H-H2O"	-17.0027
"287932"	1217.584476	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+H"	1.007276
"683273"	1825.873076	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+H"	1.007276
"1359622"	609.295876	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H"	1.007276
"131417"	609.295876	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+2H"	2.014552
"572071"	913.440176	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+2H"	2.014552
"1049620"	305.151576	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2H"	2.014552
"216426"	406.533009333333	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+3H"	3.021828
"654894"	609.295876	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+3H"	3.021828
"1174114"	203.770142666667	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+3H"	3.021828
"436293"	1234.611023	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+NH4"	18.033823
"791824"	1842.899623	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+NH4"	18.033823
"1689247"	626.322423	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+NH4"	18.033823
"343727"	617.8091495	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+H+NH4"	19.041099
"735420"	921.9534495	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+H+NH4"	19.041099
"1492435"	313.6648495	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H+NH4"	19.041099
"406462"	1239.566418	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+Na"	22.989218
"769405"	1847.855018	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+Na"	22.989218
"1613732"	631.277818	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Na"	22.989218
"329608"	620.286847	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+H+Na"	23.996494
"722515"	924.431147	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+H+Na"	23.996494
"1476329"	316.142547	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H+Na"	23.996494
"1066539"	211.097456666667	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2H+Na"	25.00377
"1269680"	641.322086	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+CH3OH+H"	33.033486
"389352"	1255.540358	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+K"	38.963158
"751807"	1863.828958	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+K"	38.963158
"1552765"	647.251758	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+K"	38.963158
"308116"	628.273817	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+H+K"	39.970434
"704548"	932.418117	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+H+K"	39.970434
"1457639"	324.129517	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H+K"	39.970434
"249521"	1258.611026	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+ACN+H"	42.033826
"1223324"	650.322426	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+ACN+H"	42.033826
"1207938"	325.664851	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+ACN+2H"	43.041102
"203487"	1261.54836	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+2Na-H"	44.97116
"643169"	1869.83696	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+2Na-H"	44.97116
"1144606"	653.25976	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2Na-H"	44.97116
"186807"	631.277818	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+2Na"	45.978436
"626855"	935.422118	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+2Na"	45.978436
"1130967"	327.133518	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2Na"	45.978436
"1413764"	218.424770666667	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H+2Na"	46.985712
"1443689"	655.301346	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H+HCOOH"	47.012746
"229375"	636.31084	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+3H2O+2H"	56.04448
"1520352"	669.35339	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+H"	61.06479
"417851"	639.264788	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+Na+K"	61.952376
"775930"	943.409088	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+Na+K"	61.952376
"1678829"	335.120488	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Na+K"	61.952376
"264621"	1280.592968	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+ACN+Na"	64.015768
"1234779"	672.304368	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+ACN+Na"	64.015768
"1727309"	672.327893	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+NH4+HCOOH"	64.039293
"1191935"	225.752084666667	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+3Na"	68.967654
"1665111"	677.283288	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Na+HCOOH"	68.994688
"171240"	1293.49624	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+2K-H"	76.91904
"605335"	1901.78484	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+2K-H"	76.91904
"1093129"	685.20764	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2K-H"	76.91904
"148856"	647.251758	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"2M+2K"	77.926316
"587324"	951.396058	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"3M+2K"	77.926316
"1071836"	343.107458	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2K"	77.926316
"1100179"	687.222192	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2K+H"	78.933592
"1338149"	687.309807	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+DMSO+H"	79.021207
"1007772"	691.348976	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2ACN+H"	83.060376
"1526991"	692.342608	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+Na+H"	84.054008
"993441"	346.178126	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+2ACN+2H"	84.067652
"1589037"	693.257228	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+K+HCOOH"	84.968628
"1414330"	723.288738	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+H+CF3COOH"	115.000138
"1154828"	366.691401	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+3ACN+2H"	125.094202
"1707664"	740.315285	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+NH4+CF3COOH"	132.026685
"1643315"	745.27068	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+Na+CF3COOH"	136.98208
"1581151"	761.24462	"C09357"	"Berbamine"	"C37H40N2O6"	"608.2886"	"M+K+CF3COOH"	152.95602
"811515"	314.0921	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M"	0
"985048"	295.07371	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-H2O-H"	-19.01839
"71105"	208.387457333333	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M-3H"	-3.021828
"509574"	313.084824	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M-3H"	-3.021828
"888472"	103.690090666667	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-3H"	-3.021828
"3766"	313.084824	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M-2H"	-2.014552
"448792"	470.130874	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M-2H"	-2.014552
"826592"	156.038774	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-2H"	-2.014552
"92298"	627.176924	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M-H"	-1.007276
"530155"	941.269024	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M-H"	-1.007276
"908322"	313.084824	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-H"	-1.007276
"56137"	644.203471	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M-2H+NH4"	16.019271
"497883"	958.295571	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M-2H+NH4"	16.019271
"873499"	330.111371	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-2H+NH4"	16.019271
"38118"	649.158866	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M-2H+Na"	20.974666
"475491"	963.250966	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M-2H+Na"	20.974666
"849277"	335.066766	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-2H+Na"	20.974666
"1619905"	335.066766	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Na-2H"	20.974666
"100451"	331.073163	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M-H+Cl"	33.962126
"544385"	488.119213	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M-H+Cl"	33.962126
"931339"	174.027113	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-H+Cl"	33.962126
"275364"	663.153602	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+Cl"	34.969402
"667786"	977.245702	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+Cl"	34.969402
"1273505"	349.061502	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Cl"	34.969402
"28214"	665.132806	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M-2H+K"	36.948606
"463400"	979.224906	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M-2H+K"	36.948606
"841201"	351.040706	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-2H+K"	36.948606
"1564328"	351.040706	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+K-2H"	36.948606
"952582"	359.090294	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-H+HCOOH"	44.998194
"370797"	673.182401	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+HCOOH-H"	44.998201
"353588"	687.198051	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+Hac-H"	59.013851
"1502423"	373.105951	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Hac-H"	59.013851
"972761"	381.072251	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-H+NaCOOH"	66.980151
"121058"	349.061502	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+2Cl"	69.938804
"562075"	506.107552	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+2Cl"	69.938804
"1035131"	192.015452	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2Cl"	69.938804
"1254829"	393.010985	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Br"	78.918885
"1314725"	395.066972	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Cl+HCOOH"	80.974872
"1332221"	417.048929	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Cl+NaCOOH"	102.956829
"913192"	427.077686	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M-H+CF3COOH"	112.985586
"1290509"	463.054364	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Cl+CF3COOH"	148.962264
"1372687"	279.079424	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H-2H2O"	-35.012676
"1387264"	297.0894	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H-H2O"	-17.0027
"285856"	629.191476	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+H"	1.007276
"683383"	943.283576	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+H"	1.007276
"1365810"	315.099376	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H"	1.007276
"136995"	315.099376	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+2H"	2.014552
"578741"	472.145426	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+2H"	2.014552
"1049728"	158.053326	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2H"	2.014552
"218726"	210.402009333333	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+3H"	3.021828
"659742"	315.099376	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+3H"	3.021828
"1176411"	105.704642666667	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+3H"	3.021828
"434217"	646.218023	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+NH4"	18.033823
"796310"	960.310123	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+NH4"	18.033823
"1692641"	332.125923	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+NH4"	18.033823
"342015"	323.6126495	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+H+NH4"	19.041099
"737724"	480.6586995	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+H+NH4"	19.041099
"1492432"	166.5665995	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H+NH4"	19.041099
"408445"	651.173418	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+Na"	22.989218
"766838"	965.265518	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+Na"	22.989218
"1617123"	337.081318	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Na"	22.989218
"328984"	326.090347	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+H+Na"	23.996494
"721893"	483.136397	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+H+Na"	23.996494
"1475475"	169.044297	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H+Na"	23.996494
"1067622"	113.031956666667	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2H+Na"	25.00377
"1269426"	347.125586	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+CH3OH+H"	33.033486
"390188"	667.147358	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+K"	38.963158
"747908"	981.239458	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+K"	38.963158
"1551783"	353.055258	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+K"	38.963158
"312239"	334.077317	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+H+K"	39.970434
"705389"	491.123367	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+H+K"	39.970434
"1458845"	177.031267	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H+K"	39.970434
"249635"	670.218026	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+ACN+H"	42.033826
"1224167"	356.125926	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+ACN+H"	42.033826
"1209029"	178.566601	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+ACN+2H"	43.041102
"203723"	673.15536	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+2Na-H"	44.97116
"643403"	987.24746	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+2Na-H"	44.97116
"1146914"	359.06326	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2Na-H"	44.97116
"187040"	337.081318	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+2Na"	45.978436
"627449"	494.127368	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+2Na"	45.978436
"1131160"	180.035268	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2Na"	45.978436
"1414038"	120.359270666667	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H+2Na"	46.985712
"1445025"	361.104846	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H+HCOOH"	47.012746
"235196"	342.11434	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+3H2O+2H"	56.04448
"1522285"	375.15689	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+IsoProp+H"	61.06479
"419419"	345.068288	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+Na+K"	61.952376
"783698"	502.114338	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+Na+K"	61.952376
"1680403"	188.022238	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Na+K"	61.952376
"266193"	692.199968	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+ACN+Na"	64.015768
"1238899"	378.107868	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+ACN+Na"	64.015768
"1725605"	378.131393	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+NH4+HCOOH"	64.039293
"1191323"	127.686584666667	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+3Na"	68.967654
"1661945"	383.086788	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Na+HCOOH"	68.994688
"170625"	705.10324	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+2K-H"	76.91904
"608003"	1019.19534	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+2K-H"	76.91904
"1094332"	391.01114	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2K-H"	76.91904
"144952"	353.055258	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"2M+2K"	77.926316
"583420"	510.101308	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"3M+2K"	77.926316
"1070848"	196.009208	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2K"	77.926316
"1102964"	393.025692	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2K+H"	78.933592
"1338256"	393.113307	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+DMSO+H"	79.021207
"1006906"	397.152476	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2ACN+H"	83.060376
"1529285"	398.146108	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+IsoProp+Na+H"	84.054008
"993548"	199.079876	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+2ACN+2H"	84.067652
"1590237"	399.060728	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+K+HCOOH"	84.968628
"1415900"	429.092238	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+H+CF3COOH"	115.000138
"1154938"	219.593151	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+3ACN+2H"	125.094202
"1704492"	446.118785	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+NH4+CF3COOH"	132.026685
"1640145"	451.07418	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+Na+CF3COOH"	136.98208
"1577981"	467.04812	"C09358"	"Chlorochrymorin"	"C15H19ClO5"	"314.0921"	"M+K+CF3COOH"	152.95602
"816002"	434.0899	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M"	0
"984066"	415.07151	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-H2O-H"	-19.01839
"76686"	288.385990666667	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M-3H"	-3.021828
"512965"	433.082624	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M-3H"	-3.021828
"894050"	143.689357333333	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-3H"	-3.021828
"6062"	433.082624	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M-2H"	-2.014552
"444529"	650.127574	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M-2H"	-2.014552
"823422"	216.037674	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-2H"	-2.014552
"85601"	867.172524	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M-H"	-1.007276
"524070"	1301.262424	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M-H"	-1.007276
"907337"	433.082624	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-H"	-1.007276
"51874"	884.199071	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M-2H+NH4"	16.019271
"494715"	1318.288971	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M-2H+NH4"	16.019271
"871424"	450.109171	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-2H+NH4"	16.019271
"43698"	889.154466	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M-2H+Na"	20.974666
"482164"	1323.244366	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M-2H+Na"	20.974666
"854497"	455.064566	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-2H+Na"	20.974666
"1619286"	455.064566	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Na-2H"	20.974666
"103845"	451.070963	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M-H+Cl"	33.962126
"545593"	668.115913	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M-H+Cl"	33.962126
"936920"	234.026013	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-H+Cl"	33.962126
"277663"	903.149202	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+Cl"	34.969402
"670451"	1337.239102	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+Cl"	34.969402
"1283583"	469.059302	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Cl"	34.969402
"27231"	905.128406	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M-2H+K"	36.948606
"467887"	1339.218306	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M-2H+K"	36.948606
"839125"	471.038506	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-2H+K"	36.948606
"1561518"	471.038506	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+K-2H"	36.948606
"951600"	479.088094	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-H+HCOOH"	44.998194
"370909"	913.178001	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+HCOOH-H"	44.998201
"359898"	927.193651	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+Hac-H"	59.013851
"1503262"	493.103751	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Hac-H"	59.013851
"969346"	501.070051	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-H+NaCOOH"	66.980151
"124329"	469.059302	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+2Cl"	69.938804
"562918"	686.104252	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+2Cl"	69.938804
"1034634"	252.014352	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2Cl"	69.938804
"1255306"	513.008785	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Br"	78.918885
"1316657"	515.064772	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Cl+HCOOH"	80.974872
"1332330"	537.046729	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Cl+NaCOOH"	102.956829
"914637"	547.075486	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M-H+CF3COOH"	112.985586
"1292442"	583.052164	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Cl+CF3COOH"	148.962264
"1372797"	399.077224	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H-2H2O"	-35.012676
"1387010"	417.0872	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H-H2O"	-17.0027
"293261"	869.187076	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+H"	1.007276
"688963"	1303.276976	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+H"	1.007276
"1364221"	435.097176	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H"	1.007276
"138205"	435.097176	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+2H"	2.014552
"578859"	652.142126	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+2H"	2.014552
"1050571"	218.052226	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2H"	2.014552
"216653"	290.400542666667	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+3H"	3.021828
"658888"	435.097176	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+3H"	3.021828
"1175432"	145.703909333333	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+3H"	3.021828
"434330"	886.213623	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+NH4"	18.033823
"796420"	1320.303523	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+NH4"	18.033823
"1690565"	452.123723	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+NH4"	18.033823
"342490"	443.6104495	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+H+NH4"	19.041099
"736373"	660.6553995	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+H+NH4"	19.041099
"1492015"	226.5654995	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H+NH4"	19.041099
"408470"	891.169018	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+Na"	22.989218
"769834"	1325.258918	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+Na"	22.989218
"1618090"	457.079118	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Na"	22.989218
"328731"	446.088147	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+H+Na"	23.996494
"721882"	663.133097	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+H+Na"	23.996494
"1476435"	229.043197	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H+Na"	23.996494
"1067128"	153.031223333333	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2H+Na"	25.00377
"1270267"	467.123386	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+CH3OH+H"	33.033486
"390665"	907.142958	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+K"	38.963158
"749109"	1341.232858	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+K"	38.963158
"1552984"	473.053058	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+K"	38.963158
"313441"	454.075117	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+H+K"	39.970434
"706232"	671.120067	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+H+K"	39.970434
"1460740"	237.030167	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H+K"	39.970434
"250603"	910.213626	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+ACN+H"	42.033826
"1224975"	476.123726	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+ACN+H"	42.033826
"1209875"	238.565501	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+ACN+2H"	43.041102
"204191"	913.15096	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+2Na-H"	44.97116
"643519"	1347.24086	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+2Na-H"	44.97116
"1146934"	479.06106	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2Na-H"	44.97116
"188002"	457.079118	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+2Na"	45.978436
"628292"	674.124068	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+2Na"	45.978436
"1131179"	240.034168	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2Na"	45.978436
"1414070"	160.358537333333	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H+2Na"	46.985712
"1445512"	481.102646	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H+HCOOH"	47.012746
"235314"	462.11214	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+3H2O+2H"	56.04448
"1523943"	495.15469	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+IsoProp+H"	61.06479
"422445"	465.066088	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+Na+K"	61.952376
"780528"	682.111038	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+Na+K"	61.952376
"1679785"	248.021138	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Na+K"	61.952376
"266184"	932.195568	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+ACN+Na"	64.015768
"1239380"	498.105668	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+ACN+Na"	64.015768
"1725350"	498.129193	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+NH4+HCOOH"	64.039293
"1191069"	167.685851333333	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+3Na"	68.967654
"1663513"	503.084588	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Na+HCOOH"	68.994688
"171708"	945.09884	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+2K-H"	76.91904
"611024"	1379.18874	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+2K-H"	76.91904
"1089703"	511.00894	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2K-H"	76.91904
"144334"	473.053058	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"2M+2K"	77.926316
"583042"	690.098008	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"3M+2K"	77.926316
"1070958"	256.008108	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2K"	77.926316
"1104167"	513.023492	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2K+H"	78.933592
"1338366"	513.111107	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+DMSO+H"	79.021207
"1010181"	517.150276	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2ACN+H"	83.060376
"1528305"	518.143908	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+IsoProp+Na+H"	84.054008
"994753"	259.078776	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+2ACN+2H"	84.067652
"1594726"	519.058528	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+K+HCOOH"	84.968628
"1422575"	549.090038	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+H+CF3COOH"	115.000138
"1153955"	279.592051	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+3ACN+2H"	125.094202
"1706791"	566.116585	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+NH4+CF3COOH"	132.026685
"1643534"	571.07198	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+Na+CF3COOH"	136.98208
"1584652"	587.04592	"C09359"	"Chlorohyssopifolin A"	"C19H24Cl2O7"	"434.0899"	"M+K+CF3COOH"	152.95602
"808455"	352.1185	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M"	0
"979799"	333.10011	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-H2O-H"	-19.01839
"76796"	233.738390666667	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M-3H"	-3.021828
"513075"	351.111224	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M-3H"	-3.021828
"889786"	116.365557333333	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-3H"	-3.021828
"7266"	351.111224	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M-2H"	-2.014552
"444639"	527.170474	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M-2H"	-2.014552
"824627"	175.051974	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-2H"	-2.014552
"85713"	703.229724	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M-H"	-1.007276
"526367"	1055.348224	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M-H"	-1.007276
"904167"	351.111224	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-H"	-1.007276
"54171"	720.256271	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M-2H+NH4"	16.019271
"491545"	1072.374771	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M-2H+NH4"	16.019271
"874815"	368.137771	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-2H+NH4"	16.019271
"43444"	725.211666	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M-2H+Na"	20.974666
"481910"	1077.330166	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M-2H+Na"	20.974666
"854607"	373.093166	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-2H+Na"	20.974666
"1618513"	373.093166	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Na-2H"	20.974666
"107235"	369.099563	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M-H+Cl"	33.962126
"548619"	545.158813	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M-H+Cl"	33.962126
"937030"	193.040313	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-H+Cl"	33.962126
"278865"	739.206402	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+Cl"	34.969402
"672384"	1091.324902	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+Cl"	34.969402
"1287583"	387.087902	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Cl"	34.969402
"25153"	741.185606	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M-2H+K"	36.948606
"469091"	1093.304106	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M-2H+K"	36.948606
"839235"	389.067106	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-2H+K"	36.948606
"1559441"	389.067106	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+K-2H"	36.948606
"954626"	397.116694	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-H+HCOOH"	44.998194
"373207"	749.235201	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+HCOOH-H"	44.998201
"361362"	763.250851	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+Hac-H"	59.013851
"1503737"	411.132351	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Hac-H"	59.013851
"973710"	419.098651	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-H+NaCOOH"	66.980151
"124925"	387.087902	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+2Cl"	69.938804
"565214"	563.147152	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+2Cl"	69.938804
"1034379"	211.028652	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2Cl"	69.938804
"1255051"	431.037385	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Br"	78.918885
"1316769"	433.093372	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Cl+HCOOH"	80.974872
"1333169"	455.075329	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Cl+NaCOOH"	102.956829
"922405"	465.104086	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M-H+CF3COOH"	112.985586
"1290366"	501.080764	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Cl+CF3COOH"	148.962264
"1377280"	317.105824	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H-2H2O"	-35.012676
"1389307"	335.1158	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H-H2O"	-17.0027
"295557"	705.244276	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+H"	1.007276
"689075"	1057.362776	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+H"	1.007276
"1363238"	353.125776	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H"	1.007276
"140016"	353.125776	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+2H"	2.014552
"579941"	529.185026	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+2H"	2.014552
"1052141"	177.066526	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2H"	2.014552
"216764"	235.752942666667	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+3H"	3.021828
"657417"	353.125776	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+3H"	3.021828
"1174449"	118.380109333333	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+3H"	3.021828
"434440"	722.270823	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+NH4"	18.033823
"794342"	1074.389323	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+NH4"	18.033823
"1688488"	370.152323	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+NH4"	18.033823
"341141"	361.6390495	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+H+NH4"	19.041099
"737578"	537.6982995	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+H+NH4"	19.041099
"1492087"	185.5797995	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H+NH4"	19.041099
"408259"	727.226218	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+Na"	22.989218
"769573"	1079.344718	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+Na"	22.989218
"1618280"	375.107718	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Na"	22.989218
"329823"	364.116747	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+H+Na"	23.996494
"722701"	540.175997	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+H+Na"	23.996494
"1476663"	188.057497	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H+Na"	23.996494
"1067238"	125.707423333333	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2H+Na"	25.00377
"1271105"	385.151986	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+CH3OH+H"	33.033486
"386035"	743.200158	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+K"	38.963158
"752865"	1095.318658	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+K"	38.963158
"1553094"	391.081658	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+K"	38.963158
"313916"	372.103717	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+H+K"	39.970434
"705976"	548.162967	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+H+K"	39.970434
"1461097"	196.044467	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H+K"	39.970434
"250835"	746.270826	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+ACN+H"	42.033826
"1224882"	394.152326	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+ACN+H"	42.033826
"1209865"	197.579801	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+ACN+2H"	43.041102
"204264"	749.20816	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+2Na-H"	44.97116
"644206"	1101.32666	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+2Na-H"	44.97116
"1146838"	397.08966	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2Na-H"	44.97116
"188504"	375.107718	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+2Na"	45.978436
"628043"	551.166968	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+2Na"	45.978436
"1131265"	199.048468	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2Na"	45.978436
"1414056"	133.034737333333	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H+2Na"	46.985712
"1445164"	399.131246	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H+HCOOH"	47.012746
"235342"	380.14074	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+3H2O+2H"	56.04448
"1523886"	413.18329	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+IsoProp+H"	61.06479
"422435"	383.094688	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+Na+K"	61.952376
"782824"	559.153938	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+Na+K"	61.952376
"1681031"	207.035438	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Na+K"	61.952376
"266662"	768.252768	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+ACN+Na"	64.015768
"1241201"	416.134268	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+ACN+Na"	64.015768
"1727648"	416.157793	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+NH4+HCOOH"	64.039293
"1192881"	140.362051333333	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+3Na"	68.967654
"1663990"	421.113188	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Na+HCOOH"	68.994688
"171216"	781.15604	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+2K-H"	76.91904
"612232"	1133.27454	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+2K-H"	76.91904
"1093461"	429.03754	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2K-H"	76.91904
"149181"	391.081658	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"2M+2K"	77.926316
"585463"	567.140908	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"3M+2K"	77.926316
"1072160"	215.022408	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2K"	77.926316
"1103183"	431.052092	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2K+H"	78.933592
"1339570"	431.139707	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+DMSO+H"	79.021207
"1011383"	435.178876	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2ACN+H"	83.060376
"1528413"	436.172508	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+IsoProp+Na+H"	84.054008
"993766"	218.093076	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+2ACN+2H"	84.067652
"1589368"	437.087128	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+K+HCOOH"	84.968628
"1421590"	467.118638	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+H+CF3COOH"	115.000138
"1154065"	238.606351	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+3ACN+2H"	125.094202
"1705808"	484.145185	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+NH4+CF3COOH"	132.026685
"1642551"	489.10058	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+Na+CF3COOH"	136.98208
"1584762"	505.07452	"C09360"	"Berberastine"	"C20H18NO5"	"352.1185"	"M+K+CF3COOH"	152.95602
"805285"	404.1835	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M"	0
"975535"	385.16511	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-H2O-H"	-19.01839
"76906"	268.448390666667	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M-3H"	-3.021828
"512091"	403.176224	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M-3H"	-3.021828
"888803"	133.720557333333	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-3H"	-3.021828
"5189"	403.176224	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M-2H"	-2.014552
"446936"	605.267974	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M-2H"	-2.014552
"823644"	201.084474	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-2H"	-2.014552
"85823"	807.359724	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M-H"	-1.007276
"526477"	1211.543224	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M-H"	-1.007276
"902090"	403.176224	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-H"	-1.007276
"54281"	824.386271	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M-2H+NH4"	16.019271
"491655"	1228.569771	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M-2H+NH4"	16.019271
"877112"	420.202771	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-2H+NH4"	16.019271
"45013"	829.341666	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M-2H+Na"	20.974666
"482384"	1233.525166	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M-2H+Na"	20.974666
"854717"	425.158166	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-2H+Na"	20.974666
"1618451"	425.158166	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Na-2H"	20.974666
"107346"	421.164563	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M-H+Cl"	33.962126
"548730"	623.256313	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M-H+Cl"	33.962126
"939328"	219.072813	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-H+Cl"	33.962126
"272417"	843.336402	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+Cl"	34.969402
"672494"	1247.519902	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+Cl"	34.969402
"1287084"	439.152902	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Cl"	34.969402
"23077"	845.315606	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M-2H+K"	36.948606
"468108"	1249.499106	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M-2H+K"	36.948606
"839345"	441.132106	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-2H+K"	36.948606
"1558458"	441.132106	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+K-2H"	36.948606
"957289"	449.181694	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-H+HCOOH"	44.998194
"375504"	853.365201	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+HCOOH-H"	44.998201
"359389"	867.380851	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+Hac-H"	59.013851
"1505668"	463.197351	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Hac-H"	59.013851
"973578"	471.163651	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-H+NaCOOH"	66.980151
"124548"	439.152902	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+2Cl"	69.938804
"563868"	641.244652	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+2Cl"	69.938804
"1034123"	237.061152	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2Cl"	69.938804
"1256134"	483.102385	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Br"	78.918885
"1316148"	485.158372	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Cl+HCOOH"	80.974872
"1332550"	507.140329	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Cl+NaCOOH"	102.956829
"914860"	517.169086	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M-H+CF3COOH"	112.985586
"1292662"	553.145764	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Cl+CF3COOH"	148.962264
"1369730"	369.170824	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H-2H2O"	-35.012676
"1389418"	387.1808	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H-H2O"	-17.0027
"293479"	809.374276	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+H"	1.007276
"690157"	1213.557776	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+H"	1.007276
"1364441"	405.190776	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H"	1.007276
"140940"	405.190776	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+2H"	2.014552
"580537"	607.282526	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+2H"	2.014552
"1051765"	203.099026	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2H"	2.014552
"218576"	270.462942666667	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+3H"	3.021828
"658014"	405.190776	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+3H"	3.021828
"1175652"	135.735109333333	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+3H"	3.021828
"434549"	826.400823	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+NH4"	18.033823
"794453"	1230.584323	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+NH4"	18.033823
"1692973"	422.217323	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+NH4"	18.033823
"344049"	413.7040495	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+H+NH4"	19.041099
"735867"	615.7957995	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+H+NH4"	19.041099
"1490416"	211.6122995	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H+NH4"	19.041099
"406546"	831.356218	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+Na"	22.989218
"768265"	1235.539718	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+Na"	22.989218
"1616000"	427.172718	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Na"	22.989218
"329685"	416.181747	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+H+Na"	23.996494
"722671"	618.273497	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+H+Na"	23.996494
"1475558"	214.089997	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H+Na"	23.996494
"1066859"	143.062423333333	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2H+Na"	25.00377
"1268663"	437.216986	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+CH3OH+H"	33.033486
"386145"	847.330158	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+K"	38.963158
"750422"	1251.513658	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+K"	38.963158
"1552840"	443.146658	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+K"	38.963158
"311838"	424.168717	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+H+K"	39.970434
"706994"	626.260467	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+H+K"	39.970434
"1460270"	222.076967	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H+K"	39.970434
"251391"	850.400826	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+ACN+H"	42.033826
"1225234"	446.217326	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+ACN+H"	42.033826
"1209730"	223.612301	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+ACN+2H"	43.041102
"204214"	853.33816	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+2Na-H"	44.97116
"643905"	1257.52166	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+2Na-H"	44.97116
"1146799"	449.15466	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2Na-H"	44.97116
"188438"	427.172718	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+2Na"	45.978436
"627783"	629.264468	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+2Na"	45.978436
"1131176"	225.080968	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2Na"	45.978436
"1413108"	150.389737333333	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H+2Na"	46.985712
"1445435"	451.196246	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H+HCOOH"	47.012746
"234798"	432.20574	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+3H2O+2H"	56.04448
"1522982"	465.24829	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+IsoProp+H"	61.06479
"420844"	435.159688	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+Na+K"	61.952376
"781841"	637.251438	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+Na+K"	61.952376
"1681103"	233.067938	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Na+K"	61.952376
"266893"	872.382768	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+ACN+Na"	64.015768
"1240329"	468.199268	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+ACN+Na"	64.015768
"1728358"	468.222793	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+NH4+HCOOH"	64.039293
"1194156"	157.717051333333	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+3Na"	68.967654
"1665394"	473.178188	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Na+HCOOH"	68.994688
"170962"	885.28604	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+2K-H"	76.91904
"611613"	1289.46954	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+2K-H"	76.91904
"1093571"	481.10254	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2K-H"	76.91904
"148198"	443.146658	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"2M+2K"	77.926316
"585573"	645.238408	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"3M+2K"	77.926316
"1070569"	241.054908	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2K"	77.926316
"1101592"	483.117092	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2K+H"	78.933592
"1338585"	483.204707	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+DMSO+H"	79.021207
"1009302"	487.243876	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2ACN+H"	83.060376
"1527427"	488.237508	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+IsoProp+Na+H"	84.054008
"992783"	244.125576	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+2ACN+2H"	84.067652
"1589840"	489.152128	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+K+HCOOH"	84.968628
"1418419"	519.183638	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+H+CF3COOH"	115.000138
"1154175"	264.638851	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+3ACN+2H"	125.094202
"1702638"	536.210185	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+NH4+CF3COOH"	132.026685
"1642661"	541.16558	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+Na+CF3COOH"	136.98208
"1584872"	557.13952	"C09361"	"Chromolaenide"	"C22H28O7"	"404.1835"	"M+K+CF3COOH"	152.95602
"808676"	378.1679	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M"	0
"978928"	359.14951	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-H2O-H"	-19.01839
"77018"	251.104657333333	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M-3H"	-3.021828
"514388"	377.160624	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M-3H"	-3.021828
"895317"	125.048690666667	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-3H"	-3.021828
"13928"	377.160624	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M-2H"	-2.014552
"453244"	566.244574	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M-2H"	-2.014552
"827035"	188.076674	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-2H"	-2.014552
"85933"	755.328524	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M-H"	-1.007276
"526587"	1133.496424	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M-H"	-1.007276
"905481"	377.160624	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-H"	-1.007276
"58766"	772.355071	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M-2H+NH4"	16.019271
"498326"	1150.522971	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M-2H+NH4"	16.019271
"877222"	394.187171	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-2H+NH4"	16.019271
"45123"	777.310466	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M-2H+Na"	20.974666
"482494"	1155.478366	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M-2H+Na"	20.974666
"857014"	399.142566	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-2H+Na"	20.974666
"1622172"	399.142566	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Na-2H"	20.974666
"105270"	395.148963	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M-H+Cl"	33.962126
"549085"	584.232913	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M-H+Cl"	33.962126
"938345"	206.065013	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-H+Cl"	33.962126
"273620"	791.305202	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+Cl"	34.969402
"669324"	1169.473102	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+Cl"	34.969402
"1283914"	413.137302	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Cl"	34.969402
"21000"	793.284406	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M-2H+K"	36.948606
"466031"	1171.452306	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M-2H+K"	36.948606
"839457"	415.116506	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-2H+K"	36.948606
"1565128"	415.116506	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+K-2H"	36.948606
"953023"	423.166094	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-H+HCOOH"	44.998194
"373790"	801.334001	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+HCOOH-H"	44.998201
"356945"	815.349651	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+Hac-H"	59.013851
"1503955"	437.181751	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Hac-H"	59.013851
"968215"	445.148051	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-H+NaCOOH"	66.980151
"121498"	413.137302	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+2Cl"	69.938804
"561424"	602.221252	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+2Cl"	69.938804
"1030950"	224.053352	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2Cl"	69.938804
"1253810"	457.086785	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Br"	78.918885
"1306780"	459.142772	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Cl+HCOOH"	80.974872
"1327192"	481.124729	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Cl+NaCOOH"	102.956829
"913148"	491.153486	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M-H+CF3COOH"	112.985586
"1290583"	527.130164	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Cl+CF3COOH"	148.962264
"1368383"	343.155224	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H-2H2O"	-35.012676
"1387340"	361.1652	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H-H2O"	-17.0027
"295777"	757.343076	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+H"	1.007276
"690758"	1135.510976	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+H"	1.007276
"1365645"	379.175176	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H"	1.007276
"140724"	379.175176	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+2H"	2.014552
"581125"	568.259126	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+2H"	2.014552
"1051999"	190.091226	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2H"	2.014552
"218076"	253.119209333333	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+3H"	3.021828
"657637"	379.175176	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+3H"	3.021828
"1176614"	127.063242666667	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+3H"	3.021828
"436846"	774.369623	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+NH4"	18.033823
"796750"	1152.537523	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+NH4"	18.033823
"1689802"	396.201723	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+NH4"	18.033823
"344281"	387.6884495	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+H+NH4"	19.041099
"737194"	576.7723995	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+H+NH4"	19.041099
"1490770"	198.6044995	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H+NH4"	19.041099
"407626"	779.325018	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+Na"	22.989218
"769231"	1157.492918	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+Na"	22.989218
"1617206"	401.157118	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Na"	22.989218
"327975"	390.166147	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+H+Na"	23.996494
"721370"	579.250097	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+H+Na"	23.996494
"1475793"	201.082197	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H+Na"	23.996494
"1067339"	134.390556666667	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2H+Na"	25.00377
"1271814"	411.201386	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+CH3OH+H"	33.033486
"389535"	795.298958	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+K"	38.963158
"752357"	1173.466858	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+K"	38.963158
"1552585"	417.131058	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+K"	38.963158
"309760"	398.153117	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+H+K"	39.970434
"707024"	587.237067	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+H+K"	39.970434
"1460994"	209.069167	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H+K"	39.970434
"250812"	798.369626	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+ACN+H"	42.033826
"1225579"	420.201726	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+ACN+H"	42.033826
"1209798"	210.604501	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+ACN+2H"	43.041102
"203675"	801.30696	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+2Na-H"	44.97116
"643489"	1179.47486	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+2Na-H"	44.97116
"1145768"	423.13906	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2Na-H"	44.97116
"187357"	401.157118	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+2Na"	45.978436
"628022"	590.241068	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+2Na"	45.978436
"1131041"	212.073168	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2Na"	45.978436
"1413460"	141.717870666667	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H+2Na"	46.985712
"1445344"	425.180646	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H+HCOOH"	47.012746
"233695"	406.19014	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+3H2O+2H"	56.04448
"1523464"	439.23269	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+IsoProp+H"	61.06479
"422415"	409.144088	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+Na+K"	61.952376
"783045"	598.228038	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+Na+K"	61.952376
"1680608"	220.060138	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Na+K"	61.952376
"266156"	820.351568	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+ACN+Na"	64.015768
"1240687"	442.183668	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+ACN+Na"	64.015768
"1728282"	442.207193	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+NH4+HCOOH"	64.039293
"1193794"	149.045184666667	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+3Na"	68.967654
"1665142"	447.162588	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Na+HCOOH"	68.994688
"172288"	833.25484	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+2K-H"	76.91904
"610631"	1211.42274	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+2K-H"	76.91904
"1092223"	455.08694	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2K-H"	76.91904
"142845"	417.131058	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"2M+2K"	77.926316
"583498"	606.215008	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"3M+2K"	77.926316
"1074568"	228.047108	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2K"	77.926316
"1105591"	457.101492	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2K+H"	78.933592
"1340883"	457.189107	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+DMSO+H"	79.021207
"1011601"	461.228276	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2ACN+H"	83.060376
"1529724"	462.221908	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+IsoProp+Na+H"	84.054008
"996174"	231.117776	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+2ACN+2H"	84.067652
"1592867"	463.136528	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+K+HCOOH"	84.968628
"1418529"	493.168038	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+H+CF3COOH"	115.000138
"1148087"	251.631051	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+3ACN+2H"	125.094202
"1706027"	510.194585	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+NH4+CF3COOH"	132.026685
"1643864"	515.14998	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+Na+CF3COOH"	136.98208
"1584982"	531.12392	"C09362"	"Cnicin"	"C20H26O7"	"378.1679"	"M+K+CF3COOH"	152.95602
"802346"	278.1154	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M"	0
"976848"	259.09701	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-H2O-H"	-19.01839
"77978"	184.402990666667	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M-3H"	-3.021828
"517779"	277.108124	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M-3H"	-3.021828
"894864"	91.6978573333333	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-3H"	-3.021828
"10879"	277.108124	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M-2H"	-2.014552
"455544"	416.165824	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M-2H"	-2.014552
"831644"	138.050424	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-2H"	-2.014552
"86043"	555.223524	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M-H"	-1.007276
"526697"	833.338924	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M-H"	-1.007276
"902311"	277.108124	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-H"	-1.007276
"55597"	572.250071	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M-2H+NH4"	16.019271
"498436"	850.365471	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M-2H+NH4"	16.019271
"876968"	294.134671	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-2H+NH4"	16.019271
"46087"	577.205466	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M-2H+Na"	20.974666
"486131"	855.320866	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M-2H+Na"	20.974666
"857125"	299.090066	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-2H+Na"	20.974666
"1620096"	299.090066	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Na-2H"	20.974666
"106473"	295.096463	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M-H+Cl"	33.962126
"549077"	434.154163	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M-H+Cl"	33.962126
"939548"	156.038763	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-H+Cl"	33.962126
"272636"	591.200202	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+Cl"	34.969402
"669434"	869.315602	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+Cl"	34.969402
"1279649"	313.084802	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Cl"	34.969402
"23296"	593.179406	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M-2H+K"	36.948606
"463954"	871.294806	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M-2H+K"	36.948606
"841755"	315.064006	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-2H+K"	36.948606
"1558679"	315.064006	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+K-2H"	36.948606
"952041"	323.113594	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-H+HCOOH"	44.998194
"371349"	601.229001	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+HCOOH-H"	44.998201
"357421"	615.244651	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+Hac-H"	59.013851
"1501879"	337.129251	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Hac-H"	59.013851
"969422"	345.095551	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-H+NaCOOH"	66.980151
"122338"	313.084802	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+2Cl"	69.938804
"562993"	452.142502	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+2Cl"	69.938804
"1033979"	174.027102	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2Cl"	69.938804
"1253919"	357.034285	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Br"	78.918885
"1311995"	359.090272	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Cl+HCOOH"	80.974872
"1325118"	381.072229	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Cl+NaCOOH"	102.956829
"912896"	391.100986	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M-H+CF3COOH"	112.985586
"1291792"	427.077664	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Cl+CF3COOH"	148.962264
"1372141"	243.102724	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H-2H2O"	-35.012676
"1384897"	261.1127	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H-H2O"	-17.0027
"293700"	557.238076	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+H"	1.007276
"691230"	835.353476	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+H"	1.007276
"1364661"	279.122676	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H"	1.007276
"140956"	279.122676	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+2H"	2.014552
"581237"	418.180376	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+2H"	2.014552
"1052744"	140.064976	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2H"	2.014552
"218187"	186.417542666667	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+3H"	3.021828
"656653"	279.122676	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+3H"	3.021828
"1175873"	93.7124093333334	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+3H"	3.021828
"436955"	574.264623	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+NH4"	18.033823
"794672"	852.380023	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+NH4"	18.033823
"1691003"	296.149223	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+NH4"	18.033823
"342566"	287.6359495	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+H+NH4"	19.041099
"738035"	426.6936495	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+H+NH4"	19.041099
"1491729"	148.5782495	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H+NH4"	19.041099
"407735"	579.220018	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+Na"	22.989218
"769546"	857.335418	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+Na"	22.989218
"1617922"	301.104618	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Na"	22.989218
"328575"	290.113647	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+H+Na"	23.996494
"722373"	429.171347	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+H+Na"	23.996494
"1475899"	151.055947	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H+Na"	23.996494
"1068454"	101.039723333333	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2H+Na"	25.00377
"1272163"	311.148886	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+CH3OH+H"	33.033486
"389645"	595.193958	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+K"	38.963158
"752467"	873.309358	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+K"	38.963158
"1551602"	317.078558	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+K"	38.963158
"309872"	298.100617	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+H+K"	39.970434
"706551"	437.158317	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+H+K"	39.970434
"1460011"	159.042917	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H+K"	39.970434
"249953"	598.264626	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+ACN+H"	42.033826
"1225131"	320.149226	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+ACN+H"	42.033826
"1208978"	160.578251	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+ACN+2H"	43.041102
"203785"	601.20196	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+2Na-H"	44.97116
"643473"	879.31736	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+2Na-H"	44.97116
"1145999"	323.08656	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2Na-H"	44.97116
"186008"	301.104618	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+2Na"	45.978436
"625200"	440.162318	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+2Na"	45.978436
"1130655"	162.046918	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2Na"	45.978436
"1412231"	108.367037333333	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H+2Na"	46.985712
"1441065"	325.128146	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H+HCOOH"	47.012746
"235396"	306.13764	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+3H2O+2H"	56.04448
"1523584"	339.18019	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+IsoProp+H"	61.06479
"423382"	309.091588	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+Na+K"	61.952376
"782062"	448.149288	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+Na+K"	61.952376
"1680717"	170.033888	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Na+K"	61.952376
"266145"	620.246568	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+ACN+Na"	64.015768
"1240432"	342.131168	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+ACN+Na"	64.015768
"1727987"	342.154693	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+NH4+HCOOH"	64.039293
"1193701"	115.694351333333	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+3Na"	68.967654
"1663836"	347.110088	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Na+HCOOH"	68.994688
"171306"	633.14984	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+2K-H"	76.91904
"610377"	911.26524	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+2K-H"	76.91904
"1095614"	355.03444	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2K-H"	76.91904
"146232"	317.078558	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"2M+2K"	77.926316
"584702"	456.136258	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"3M+2K"	77.926316
"1076867"	178.020858	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2K"	77.926316
"1107887"	357.048992	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2K+H"	78.933592
"1342086"	357.136607	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+DMSO+H"	79.021207
"1010615"	361.175776	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2ACN+H"	83.060376
"1533115"	362.169408	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+IsoProp+Na+H"	84.054008
"995189"	181.091526	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+2ACN+2H"	84.067652
"1590789"	363.084028	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+K+HCOOH"	84.968628
"1418639"	393.115538	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+H+CF3COOH"	115.000138
"1153302"	201.604801	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+3ACN+2H"	125.094202
"1708325"	410.142085	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+NH4+CF3COOH"	132.026685
"1646892"	415.09748	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+Na+CF3COOH"	136.98208
"1585092"	431.07142	"C09363"	"Conchosin A"	"C15H18O5"	"278.1154"	"M+K+CF3COOH"	152.95602
"808896"	367.1056	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M"	0
"979148"	348.08721	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-H2O-H"	-19.01839
"77926"	243.729790666667	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M-3H"	-3.021828
"515339"	366.098324	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M-3H"	-3.021828
"895092"	121.361257333333	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-3H"	-3.021828
"13905"	366.098324	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M-2H"	-2.014552
"455047"	549.651124	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M-2H"	-2.014552
"831513"	182.545524	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-2H"	-2.014552
"86153"	733.203924	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M-H"	-1.007276
"526807"	1100.309524	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M-H"	-1.007276
"902420"	366.098324	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-H"	-1.007276
"57530"	750.230471	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M-2H+NH4"	16.019271
"496359"	1117.336071	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M-2H+NH4"	16.019271
"873798"	383.124871	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-2H+NH4"	16.019271
"46317"	755.185866	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M-2H+Na"	20.974666
"484175"	1122.291466	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M-2H+Na"	20.974666
"857235"	388.080266	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-2H+Na"	20.974666
"1621300"	388.080266	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Na-2H"	20.974666
"107678"	384.086663	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M-H+Cl"	33.962126
"546508"	567.639463	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M-H+Cl"	33.962126
"939294"	200.533863	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-H+Cl"	33.962126
"271653"	769.180602	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+Cl"	34.969402
"669544"	1136.286202	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+Cl"	34.969402
"1276478"	402.075002	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Cl"	34.969402
"23406"	771.159806	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M-2H+K"	36.948606
"464065"	1138.265406	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M-2H+K"	36.948606
"840771"	404.054206	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-2H+K"	36.948606
"1559153"	404.054206	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+K-2H"	36.948606
"953245"	412.103794	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-H+HCOOH"	44.998194
"371459"	779.209401	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+HCOOH-H"	44.998201
"352064"	793.225051	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+Hac-H"	59.013851
"1499802"	426.119451	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Hac-H"	59.013851
"969167"	434.085751	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-H+NaCOOH"	66.980151
"120624"	402.075002	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+2Cl"	69.938804
"562737"	585.627802	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+2Cl"	69.938804
"1030078"	218.522202	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2Cl"	69.938804
"1251843"	446.024485	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Br"	78.918885
"1307729"	448.080472	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Cl+HCOOH"	80.974872
"1323040"	470.062429	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Cl+NaCOOH"	102.956829
"914096"	480.091186	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M-H+CF3COOH"	112.985586
"1289711"	516.067864	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Cl+CF3COOH"	148.962264
"1368601"	332.092924	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H-2H2O"	-35.012676
"1385004"	350.1029	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H-H2O"	-17.0027
"287248"	735.218476	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+H"	1.007276
"687325"	1102.324076	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+H"	1.007276
"1362581"	368.112876	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H"	1.007276
"135468"	368.112876	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+2H"	2.014552
"576122"	551.665676	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+2H"	2.014552
"1052736"	184.560076	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2H"	2.014552
"218657"	245.744342666667	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+3H"	3.021828
"651290"	368.112876	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+3H"	3.021828
"1177437"	123.375809333333	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+3H"	3.021828
"433783"	752.245023	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+NH4"	18.033823
"793686"	1119.350623	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+NH4"	18.033823
"1693298"	385.139423	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+NH4"	18.033823
"339390"	376.6261495	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+H+NH4"	19.041099
"736925"	560.1789495	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+H+NH4"	19.041099
"1492571"	193.0733495	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H+NH4"	19.041099
"406871"	757.200418	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+Na"	22.989218
"769816"	1124.306018	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+Na"	22.989218
"1618413"	390.094818	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Na"	22.989218
"329876"	379.103847	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+H+Na"	23.996494
"722639"	562.656647	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+H+Na"	23.996494
"1476130"	195.551047	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H+Na"	23.996494
"1062935"	130.703123333333	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2H+Na"	25.00377
"1271909"	400.139086	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+CH3OH+H"	33.033486
"391578"	773.174358	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+K"	38.963158
"752942"	1140.279958	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+K"	38.963158
"1553534"	406.068758	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+K"	38.963158
"311804"	387.090817	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+H+K"	39.970434
"706865"	570.643617	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+H+K"	39.970434
"1460608"	203.538017	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H+K"	39.970434
"250429"	776.245026	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+ACN+H"	42.033826
"1225324"	409.139426	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+ACN+H"	42.033826
"1209450"	205.073351	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+ACN+2H"	43.041102
"203286"	779.18236	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+2Na-H"	44.97116
"644017"	1146.28796	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+2Na-H"	44.97116
"1146236"	412.07676	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2Na-H"	44.97116
"186360"	390.094818	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+2Na"	45.978436
"625673"	573.647618	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+2Na"	45.978436
"1131009"	206.542018	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2Na"	45.978436
"1412340"	138.030437333333	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H+2Na"	46.985712
"1442270"	414.118346	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H+HCOOH"	47.012746
"235141"	395.12784	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+3H2O+2H"	56.04448
"1523574"	428.17039	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+IsoProp+H"	61.06479
"423367"	398.081788	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+Na+K"	61.952376
"782172"	581.634588	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+Na+K"	61.952376
"1680586"	214.528988	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Na+K"	61.952376
"265645"	798.226968	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+ACN+Na"	64.015768
"1240418"	431.121368	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+ACN+Na"	64.015768
"1727933"	431.144893	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+NH4+HCOOH"	64.039293
"1192715"	145.357751333333	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+3Na"	68.967654
"1664795"	436.100288	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Na+HCOOH"	68.994688
"172145"	811.13024	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+2K-H"	76.91904
"609027"	1178.23584	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+2K-H"	76.91904
"1097550"	444.02464	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2K-H"	76.91904
"147435"	406.068758	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"2M+2K"	77.926316
"582017"	589.621558	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"3M+2K"	77.926316
"1075883"	222.515958	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2K"	77.926316
"1105811"	446.039192	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2K+H"	78.933592
"1343290"	446.126807	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+DMSO+H"	79.021207
"1009632"	450.165976	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2ACN+H"	83.060376
"1531038"	451.159608	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+IsoProp+Na+H"	84.054008
"996392"	225.586626	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+2ACN+2H"	84.067652
"1591992"	452.074228	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+K+HCOOH"	84.968628
"1415466"	482.105738	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+H+CF3COOH"	115.000138
"1154505"	246.099901	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+3ACN+2H"	125.094202
"1707341"	499.132285	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+NH4+CF3COOH"	132.026685
"1644084"	504.08768	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+Na+CF3COOH"	136.98208
"1585202"	520.06162	"C09364"	"Bicuculline"	"C20H17NO6"	"367.1056"	"M+K+CF3COOH"	152.95602
"802566"	327.1471	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M"	0
"975976"	308.12871	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"78160"	217.090790666667	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"515812"	326.139824	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"895245"	108.041757333333	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"14015"	326.139824	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"454672"	489.713374	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"831865"	162.566274	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"85170"	653.286924	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"526917"	980.434024	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"901437"	326.139824	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"57640"	670.313471	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"497198"	997.460571	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"875001"	343.166371	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"46184"	675.268866	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"486471"	1002.415966	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"856252"	348.121766	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1622503"	348.121766	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"108152"	344.128163	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"546618"	507.701713	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"933205"	180.554613	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"272854"	689.263602	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"668558"	1016.410702	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1277314"	362.116502	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"23516"	691.242806	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"464175"	1018.389906	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"841974"	364.095706	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1560356"	364.095706	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"954448"	372.145294	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"371569"	699.292401	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"355454"	713.308051	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1501005"	386.160951	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"969641"	394.127251	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"121464"	362.116502	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"562119"	525.690052	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1031282"	198.542952	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1251589"	406.065985	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1310028"	408.121972	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1322057"	430.103929	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"914570"	440.132686	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1289089"	476.109364	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1368709"	292.134424	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1383532"	310.1444	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"285172"	655.301476	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"684156"	982.448576	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1357224"	328.154376	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"138859"	328.154376	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"577325"	491.727926	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1040656"	164.580826	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"212931"	219.105342666667	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"649207"	328.154376	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1168430"	110.056309333333	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"433893"	672.328023	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"794889"	999.475123	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1690126"	345.180923	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"340593"	336.6676495	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"730825"	500.2411995	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1489763"	173.0940995	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"403336"	677.283418	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"766518"	1004.430518	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1615709"	350.136318	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"329392"	339.145347	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"721204"	502.718897	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1470893"	175.571797	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1060858"	117.383623333333	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1268011"	360.180586	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"391323"	693.257358	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"752685"	1020.404458	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1552916"	366.110258	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"311914"	347.132317	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"703973"	510.705867	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1460713"	183.558767	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"251142"	696.328026	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1225304"	369.180926	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1207726"	185.094101	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"203395"	699.26536	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"643075"	1026.41246	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1144025"	372.11826	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"180755"	350.136318	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"625782"	513.709868	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1122728"	186.562768	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1408439"	124.710937333333	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1442744"	374.159846	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"233537"	355.16934	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1522694"	388.21189	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"420923"	358.123288	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"781915"	521.696838	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1681262"	194.549738	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"265872"	718.309968	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1240653"	391.162868	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1728081"	391.186393	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1192946"	132.038251333333	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1664297"	396.141788	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"170917"	731.21324	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"611684"	1058.36034	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1098020"	404.06614	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"145359"	366.110258	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"582366"	529.683808	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1075992"	202.536708	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1103735"	406.080692	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1342307"	406.168307	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1008649"	410.207476	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1531148"	411.201108	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"992131"	205.607376	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1589916"	412.115728	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1416669"	442.147238	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1154615"	226.120651	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1704169"	459.173785	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1647476"	464.12918	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1585312"	480.10312	"C09365"	"Boldine"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"805835"	327.1471	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M"	0
"985926"	308.12871	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"78518"	217.090790666667	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"515922"	326.139824	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"895399"	108.041757333333	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"14489"	326.139824	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"455618"	489.713374	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"831122"	162.566274	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"85280"	653.286924	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"530673"	980.434024	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"905921"	326.139824	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"57750"	670.313471	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"500955"	997.460571	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"875110"	343.166371	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"46660"	675.268866	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"484394"	1002.415966	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"853082"	348.121766	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1622613"	348.121766	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"109114"	344.128163	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"545634"	507.701713	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"933315"	180.554613	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"271141"	689.263602	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"669762"	1016.410702	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1277424"	362.116502	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"22533"	691.242806	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"467565"	1018.389906	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"842084"	364.095706	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1560465"	364.095706	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"955651"	372.145294	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"374959"	699.292401	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"357751"	713.308051	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1504395"	386.160951	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"969751"	394.127251	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"122303"	362.116502	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"564295"	525.690052	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1034674"	198.542952	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1254251"	406.065985	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1310138"	408.121972	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1321073"	430.103929	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"913587"	440.132686	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1290298"	476.109364	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1368457"	292.134424	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1383767"	310.1444	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"288562"	655.301476	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"682078"	982.448576	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1357334"	328.154376	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"138241"	328.154376	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"577435"	491.727926	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1040766"	164.580826	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"213041"	219.105342666667	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"649317"	328.154376	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1167448"	110.056309333333	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"427436"	672.328023	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"794999"	999.475123	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1688049"	345.180923	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"339608"	336.6676495	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"734214"	500.2411995	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1492059"	173.0940995	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"404540"	677.283418	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"767721"	1004.430518	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1616911"	350.136318	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"328894"	339.145347	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"722492"	502.718897	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1474283"	175.571797	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1066433"	117.383623333333	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1270673"	360.180586	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"391800"	693.257358	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"753522"	1020.404458	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1554847"	366.110258	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"313486"	347.132317	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"706515"	510.705867	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1459365"	183.558767	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"250766"	696.328026	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1224972"	369.180926	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1207837"	185.094101	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"203748"	699.26536	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"644161"	1026.41246	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1144864"	372.11826	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"186698"	350.136318	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"626987"	513.709868	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1125025"	186.562768	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1408549"	124.710937333333	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1444841"	374.159846	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"233280"	355.16934	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1524126"	388.21189	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"421394"	358.123288	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"779108"	521.696838	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1681121"	194.549738	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"264527"	718.309968	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1241044"	391.162868	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1728187"	391.186393	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1193949"	132.038251333333	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1665133"	396.141788	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"172440"	731.21324	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"612160"	1058.36034	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1097765"	404.06614	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"144376"	366.110258	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"583086"	529.683808	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1072821"	202.536708	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1101779"	406.080692	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1338041"	406.168307	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1007665"	410.207476	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1530164"	411.201108	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"994427"	205.607376	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1592212"	412.115728	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1417872"	442.147238	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1153632"	226.120651	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1706465"	459.173785	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1648315"	464.12918	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1585422"	480.10312	"C09366"	"Bracteoline"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"802665"	325.1314	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M"	0
"977289"	306.11301	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-H2O-H"	-19.01839
"76474"	215.746990666667	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M-3H"	-3.021828
"514939"	324.124124	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M-3H"	-3.021828
"885092"	107.369857333333	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-3H"	-3.021828
"9133"	324.124124	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M-2H"	-2.014552
"453795"	486.689824	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M-2H"	-2.014552
"829411"	161.558424	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-2H"	-2.014552
"90494"	649.255524	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M-H"	-1.007276
"526044"	974.386924	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M-H"	-1.007276
"907491"	324.124124	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-H"	-1.007276
"53849"	666.282071	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M-2H+NH4"	16.019271
"497421"	991.413471	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M-2H+NH4"	16.019271
"873763"	341.150671	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-2H+NH4"	16.019271
"42394"	671.237466	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M-2H+Na"	20.974666
"482681"	996.368866	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M-2H+Na"	20.974666
"853192"	346.106066	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-2H+Na"	20.974666
"1620536"	346.106066	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Na-2H"	20.974666
"103631"	342.112463	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M-H+Cl"	33.962126
"538816"	504.678163	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M-H+Cl"	33.962126
"927957"	179.546763	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-H+Cl"	33.962126
"267968"	685.232202	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+Cl"	34.969402
"665498"	1010.363602	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+Cl"	34.969402
"1275711"	360.100802	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Cl"	34.969402
"21548"	687.211406	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M-2H+K"	36.948606
"465488"	1012.342806	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M-2H+K"	36.948606
"842194"	362.080006	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-2H+K"	36.948606
"1557294"	362.080006	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+K-2H"	36.948606
"956854"	370.129594	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-H+HCOOH"	44.998194
"372882"	695.261001	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+HCOOH-H"	44.998201
"358954"	709.276651	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+Hac-H"	59.013851
"1502318"	384.145251	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Hac-H"	59.013851
"967674"	392.111551	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-H+NaCOOH"	66.980151
"119861"	360.100802	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+2Cl"	69.938804
"562338"	522.666502	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+2Cl"	69.938804
"1032597"	197.535102	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2Cl"	69.938804
"1253997"	404.050285	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Br"	78.918885
"1310248"	406.106272	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Cl+HCOOH"	80.974872
"1321183"	428.088229	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Cl+NaCOOH"	102.956829
"913332"	438.116986	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M-H+CF3COOH"	112.985586
"1290044"	474.093664	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Cl+CF3COOH"	148.962264
"1369294"	290.118724	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H-2H2O"	-35.012676
"1384239"	308.1287	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H-H2O"	-17.0027
"286485"	651.270076	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+H"	1.007276
"682188"	976.401476	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+H"	1.007276
"1357444"	326.138676	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H"	1.007276
"133613"	326.138676	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+2H"	2.014552
"574266"	488.704376	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+2H"	2.014552
"1039782"	163.572976	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2H"	2.014552
"212058"	217.761542666667	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+3H"	3.021828
"646148"	326.138676	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+3H"	3.021828
"1167557"	109.384409333333	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+3H"	3.021828
"426453"	668.296623	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+NH4"	18.033823
"796203"	993.428023	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+NH4"	18.033823
"1687066"	343.165223	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+NH4"	18.033823
"336437"	334.6519495	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+H+NH4"	19.041099
"728857"	497.2176495	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+H+NH4"	19.041099
"1489251"	172.0862495	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H+NH4"	19.041099
"405381"	673.252018	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+Na"	22.989218
"765643"	998.383418	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+Na"	22.989218
"1615564"	348.120618	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Na"	22.989218
"328641"	337.129647	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+H+Na"	23.996494
"721426"	499.695347	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+H+Na"	23.996494
"1472206"	174.563947	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H+Na"	23.996494
"1063266"	116.711723333333	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2H+Na"	25.00377
"1270420"	358.164886	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+CH3OH+H"	33.033486
"390819"	689.225958	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+K"	38.963158
"751445"	1014.357358	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+K"	38.963158
"1554229"	364.094558	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+K"	38.963158
"312865"	345.116617	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+H+K"	39.970434
"705288"	507.682317	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+H+K"	39.970434
"1459839"	182.550917	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H+K"	39.970434
"251116"	692.296626	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+ACN+H"	42.033826
"1224430"	367.165226	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+ACN+H"	42.033826
"1207218"	184.086251	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+ACN+2H"	43.041102
"203615"	695.23396	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+2Na-H"	44.97116
"642932"	1020.36536	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+2Na-H"	44.97116
"1143152"	370.10256	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2Na-H"	44.97116
"183162"	348.120618	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+2Na"	45.978436
"618348"	510.686318	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+2Na"	45.978436
"1124042"	185.554918	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2Na"	45.978436
"1406472"	124.039037333333	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H+2Na"	46.985712
"1444787"	372.144146	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H+HCOOH"	47.012746
"231566"	353.15364	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+3H2O+2H"	56.04448
"1517442"	386.19619	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+IsoProp+H"	61.06479
"420411"	356.107588	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+Na+K"	61.952376
"779218"	518.673288	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+Na+K"	61.952376
"1681174"	193.541888	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Na+K"	61.952376
"267034"	714.278568	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+ACN+Na"	64.015768
"1240909"	389.147168	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+ACN+Na"	64.015768
"1728417"	389.170693	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+NH4+HCOOH"	64.039293
"1193410"	131.366351333333	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+3Na"	68.967654
"1665121"	394.126088	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Na+HCOOH"	68.994688
"171251"	727.18184	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+2K-H"	76.91904
"610815"	1052.31324	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+2K-H"	76.91904
"1098970"	402.05044	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2K-H"	76.91904
"143392"	364.094558	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"2M+2K"	77.926316
"583196"	526.660258	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"3M+2K"	77.926316
"1075119"	201.528858	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2K"	77.926316
"1100793"	404.064992	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2K+H"	78.933592
"1338152"	404.152607	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+DMSO+H"	79.021207
"1007044"	408.191776	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2ACN+H"	83.060376
"1530274"	409.185408	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+IsoProp+Na+H"	84.054008
"995630"	204.599526	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+2ACN+2H"	84.067652
"1590136"	410.100028	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+K+HCOOH"	84.968628
"1416889"	440.131538	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+H+CF3COOH"	115.000138
"1153742"	225.112801	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+3ACN+2H"	125.094202
"1705482"	457.158085	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+NH4+CF3COOH"	132.026685
"1648425"	462.11348	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+Na+CF3COOH"	136.98208
"1585532"	478.08742	"C09367"	"Bulbocapnine"	"C19H19NO4"	"325.1314"	"M+K+CF3COOH"	152.95602
"809336"	267.1259	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M"	0
"976308"	248.10751	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-H2O-H"	-19.01839
"78163"	177.076657333333	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M-3H"	-3.021828
"515048"	266.118624	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M-3H"	-3.021828
"893949"	88.0346906666667	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-3H"	-3.021828
"11430"	266.118624	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M-2H"	-2.014552
"454882"	399.681574	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M-2H"	-2.014552
"831953"	132.555674	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-2H"	-2.014552
"90240"	533.244524	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M-H"	-1.007276
"526154"	800.370424	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M-H"	-1.007276
"906142"	266.118624	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-H"	-1.007276
"56876"	550.271071	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M-2H+NH4"	16.019271
"500447"	817.396971	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M-2H+NH4"	16.019271
"874966"	283.145171	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-2H+NH4"	16.019271
"43232"	555.226466	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M-2H+Na"	20.974666
"482791"	822.352366	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M-2H+Na"	20.974666
"856582"	288.100566	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-2H+Na"	20.974666
"1623926"	288.100566	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Na-2H"	20.974666
"103741"	284.106963	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M-H+Cl"	33.962126
"541112"	417.669913	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M-H+Cl"	33.962126
"929160"	150.544013	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-H+Cl"	33.962126
"270631"	569.221202	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+Cl"	34.969402
"669252"	836.347102	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+Cl"	34.969402
"1277643"	302.095302	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Cl"	34.969402
"20564"	571.200406	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M-2H+K"	36.948606
"467420"	838.326306	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M-2H+K"	36.948606
"842304"	304.074506	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-2H+K"	36.948606
"1558133"	304.074506	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+K-2H"	36.948606
"948211"	312.124094	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-H+HCOOH"	44.998194
"366430"	579.250001	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+HCOOH-H"	44.998201
"360160"	593.265651	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+Hac-H"	59.013851
"1502430"	326.139751	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Hac-H"	59.013851
"971796"	334.106051	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-H+NaCOOH"	66.980151
"123251"	302.095302	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+2Cl"	69.938804
"564636"	435.658252	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+2Cl"	69.938804
"1036355"	168.532352	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2Cl"	69.938804
"1252648"	346.044785	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Br"	78.918885
"1311451"	348.100772	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Cl+HCOOH"	80.974872
"1323481"	370.082729	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Cl+NaCOOH"	102.956829
"914540"	380.111486	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M-H+CF3COOH"	112.985586
"1293435"	416.088164	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Cl+CF3COOH"	148.962264
"1370501"	232.113224	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H-2H2O"	-35.012676
"1385083"	250.1232	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H-H2O"	-17.0027
"294251"	535.259076	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+H"	1.007276
"683393"	802.384976	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+H"	1.007276
"1361929"	268.133176	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H"	1.007276
"132630"	268.133176	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+2H"	2.014552
"574376"	401.696126	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+2H"	2.014552
"1042078"	134.570226	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2H"	2.014552
"211074"	179.091209333333	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+3H"	3.021828
"646258"	268.133176	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+3H"	3.021828
"1164747"	90.0492426666667	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+3H"	3.021828
"425588"	552.285623	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+NH4"	18.033823
"789748"	819.411523	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+NH4"	18.033823
"1686082"	285.159723	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+NH4"	18.033823
"338734"	276.6464495	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+H+NH4"	19.041099
"731154"	410.2093995	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+H+NH4"	19.041099
"1491183"	143.0834995	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H+NH4"	19.041099
"406947"	557.241018	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+Na"	22.989218
"767577"	824.366918	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+Na"	22.989218
"1615674"	290.115118	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Na"	22.989218
"329683"	279.124147	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+H+Na"	23.996494
"720928"	412.687097	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+H+Na"	23.996494
"1474868"	145.561197	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H+Na"	23.996494
"1064469"	97.3765566666667	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2H+Na"	25.00377
"1270528"	300.159386	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+CH3OH+H"	33.033486
"391289"	573.214958	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+K"	38.963158
"752285"	840.340858	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+K"	38.963158
"1553735"	306.089058	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+K"	38.963158
"313704"	287.111117	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+H+K"	39.970434
"706004"	420.674067	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+H+K"	39.970434
"1460680"	153.548167	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H+K"	39.970434
"251107"	576.285626	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+ACN+H"	42.033826
"1225027"	309.159726	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+ACN+H"	42.033826
"1208543"	155.083501	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+ACN+2H"	43.041102
"203686"	579.22296	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+2Na-H"	44.97116
"642922"	846.34886	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+2Na-H"	44.97116
"1143262"	312.09706	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2Na-H"	44.97116
"183272"	290.115118	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+2Na"	45.978436
"620644"	423.678068	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+2Na"	45.978436
"1123058"	156.552168	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2Na"	45.978436
"1406582"	104.703870666667	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H+2Na"	46.985712
"1445020"	314.138646	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H+HCOOH"	47.012746
"231676"	295.14814	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+3H2O+2H"	56.04448
"1523018"	328.19069	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+IsoProp+H"	61.06479
"421613"	298.102088	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+Na+K"	61.952376
"780422"	431.665038	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+Na+K"	61.952376
"1681181"	164.539138	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Na+K"	61.952376
"266813"	598.267568	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+ACN+Na"	64.015768
"1240737"	331.141668	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+ACN+Na"	64.015768
"1728277"	331.165193	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+NH4+HCOOH"	64.039293
"1194086"	112.031184666667	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+3Na"	68.967654
"1664502"	336.120588	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Na+HCOOH"	68.994688
"168811"	611.17084	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+2K-H"	76.91904
"611655"	878.29674	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+2K-H"	76.91904
"1096530"	344.04494	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2K-H"	76.91904
"146785"	306.089058	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"2M+2K"	77.926316
"581725"	439.652008	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"3M+2K"	77.926316
"1073042"	172.526108	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2K"	77.926316
"1101877"	346.059492	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2K+H"	78.933592
"1337169"	346.147107	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+DMSO+H"	79.021207
"1007887"	350.186276	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2ACN+H"	83.060376
"1530388"	351.179908	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+IsoProp+Na+H"	84.054008
"992462"	175.596776	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+2ACN+2H"	84.067652
"1592435"	352.094528	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+K+HCOOH"	84.968628
"1415906"	382.126038	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+H+CF3COOH"	115.000138
"1156040"	196.110051	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+3ACN+2H"	125.094202
"1705592"	399.152585	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+NH4+CF3COOH"	132.026685
"1648899"	404.10798	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+Na+CF3COOH"	136.98208
"1585642"	420.08192	"C09368"	"(-)-Caaverine;Noraporphin-1-ol 2-methoxy-"	"C17H17NO2"	"267.1259"	"M+K+CF3COOH"	152.95602
"806165"	636.2836	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M"	0
"982976"	617.26521	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-H2O-H"	-19.01839
"77665"	423.181790666667	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M-3H"	-3.021828
"516252"	635.276324	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M-3H"	-3.021828
"890779"	211.087257333333	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-3H"	-3.021828
"15429"	635.276324	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M-2H"	-2.014552
"454015"	953.418124	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M-2H"	-2.014552
"831695"	317.134524	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-2H"	-2.014552
"88891"	1271.559924	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M-H"	-1.007276
"531732"	1907.843524	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M-H"	-1.007276
"899691"	635.276324	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-H"	-1.007276
"57350"	1288.586471	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M-2H+NH4"	16.019271
"499826"	1924.870071	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M-2H+NH4"	16.019271
"871430"	652.302871	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-2H+NH4"	16.019271
"46017"	1293.541866	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M-2H+Na"	20.974666
"485697"	1929.825466	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M-2H+Na"	20.974666
"857785"	657.258266	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-2H+Na"	20.974666
"1626225"	657.258266	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Na-2H"	20.974666
"104944"	653.264663	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M-H+Cl"	33.962126
"541222"	971.406463	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M-H+Cl"	33.962126
"931457"	335.122863	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-H+Cl"	33.962126
"272929"	1307.536602	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+Cl"	34.969402
"670091"	1943.820202	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+Cl"	34.969402
"1277753"	671.253002	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Cl"	34.969402
"20674"	1309.515806	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M-2H+K"	36.948606
"468259"	1945.799406	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M-2H+K"	36.948606
"842414"	673.232206	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-2H+K"	36.948606
"1557514"	673.232206	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+K-2H"	36.948606
"946495"	681.281794	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-H+HCOOH"	44.998194
"366540"	1317.565401	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+HCOOH-H"	44.998201
"359419"	1331.581051	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+Hac-H"	59.013851
"1506794"	695.297451	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Hac-H"	59.013851
"972878"	703.263751	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-H+NaCOOH"	66.980151
"120081"	671.253002	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+2Cl"	69.938804
"564382"	989.394802	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+2Cl"	69.938804
"1036096"	353.111202	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2Cl"	69.938804
"1256041"	715.202485	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Br"	78.918885
"1308281"	717.258472	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Cl+HCOOH"	80.974872
"1326871"	739.240429	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Cl+NaCOOH"	102.956829
"915743"	749.269186	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M-H+CF3COOH"	112.985586
"1295732"	785.245864	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Cl+CF3COOH"	148.962264
"1371340"	601.270924	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H-2H2O"	-35.012676
"1387017"	619.2809	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H-H2O"	-17.0027
"292175"	1273.574476	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+H"	1.007276
"681316"	1909.858076	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+H"	1.007276
"1359852"	637.290876	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H"	1.007276
"133833"	637.290876	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+2H"	2.014552
"574485"	955.432676	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+2H"	2.014552
"1044376"	319.149076	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2H"	2.014552
"212278"	425.196342666667	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+3H"	3.021828
"647826"	637.290876	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+3H"	3.021828
"1165584"	213.101809333333	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+3H"	3.021828
"428131"	1290.601023	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+NH4"	18.033823
"790951"	1926.884623	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+NH4"	18.033823
"1687285"	654.317423	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+NH4"	18.033823
"336658"	645.8041495	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+H+NH4"	19.041099
"728349"	963.9459495	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+H+NH4"	19.041099
"1489472"	327.6623495	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H+NH4"	19.041099
"404871"	1295.556418	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+Na"	22.989218
"767687"	1931.840018	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+Na"	22.989218
"1615054"	659.272818	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Na"	22.989218
"328371"	648.281847	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+H+Na"	23.996494
"720426"	966.423647	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+H+Na"	23.996494
"1475341"	330.140047	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H+Na"	23.996494
"1065673"	220.429123333333	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2H+Na"	25.00377
"1268449"	669.317086	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+CH3OH+H"	33.033486
"389211"	1311.530358	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+K"	38.963158
"752030"	1947.813958	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+K"	38.963158
"1551168"	675.246758	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+K"	38.963158
"312720"	656.268817	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+H+K"	39.970434
"705138"	974.410617	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+H+K"	39.970434
"1460669"	338.127017	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H+K"	39.970434
"250364"	1314.601026	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+ACN+H"	42.033826
"1222461"	678.317426	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+ACN+H"	42.033826
"1208532"	339.662351	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+ACN+2H"	43.041102
"202618"	1317.53836	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+2Na-H"	44.97116
"643638"	1953.82196	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+2Na-H"	44.97116
"1145805"	681.25476	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2Na-H"	44.97116
"185564"	659.272818	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+2Na"	45.978436
"624031"	977.414618	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+2Na"	45.978436
"1122799"	341.131018	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2Na"	45.978436
"1404864"	227.756437333333	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H+2Na"	46.985712
"1438808"	683.296346	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H+HCOOH"	47.012746
"231787"	664.30584	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+3H2O+2H"	56.04448
"1520942"	697.34839	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+IsoProp+H"	61.06479
"423550"	667.259788	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+Na+K"	61.952376
"782720"	985.401588	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+Na+K"	61.952376
"1679424"	349.117988	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Na+K"	61.952376
"264486"	1336.582968	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+ACN+Na"	64.015768
"1238289"	700.299368	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+ACN+Na"	64.015768
"1727176"	700.322893	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+NH4+HCOOH"	64.039293
"1190707"	235.083751333333	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+3Na"	68.967654
"1659869"	705.278288	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Na+HCOOH"	68.994688
"168920"	1349.48624	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+2K-H"	76.91904
"610307"	1985.76984	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+2K-H"	76.91904
"1096276"	713.20264	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2K-H"	76.91904
"147987"	675.246758	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"2M+2K"	77.926316
"582443"	993.388558	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"3M+2K"	77.926316
"1075706"	357.104958	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2K"	77.926316
"1101988"	715.217192	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2K+H"	78.933592
"1337522"	715.304807	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+DMSO+H"	79.021207
"1007025"	719.343976	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2ACN+H"	83.060376
"1532685"	720.337608	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+IsoProp+Na+H"	84.054008
"994760"	360.175626	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+2ACN+2H"	84.067652
"1591449"	721.252228	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+K+HCOOH"	84.968628
"1416016"	751.283738	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+H+CF3COOH"	115.000138
"1156151"	380.688901	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+3ACN+2H"	125.094202
"1704609"	768.310285	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+NH4+CF3COOH"	132.026685
"1644636"	773.26568	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+Na+CF3COOH"	136.98208
"1585752"	789.23962	"C09369"	"Calafatimine"	"C38H40N2O7"	"636.2836"	"M+K+CF3COOH"	152.95602
"809556"	606.2366	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M"	0
"975797"	587.21821	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-H2O-H"	-19.01839
"78248"	403.150457333333	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M-3H"	-3.021828
"515997"	605.229324	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M-3H"	-3.021828
"894169"	201.071590666667	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-3H"	-3.021828
"15708"	605.229324	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M-2H"	-2.014552
"455218"	908.347624	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M-2H"	-2.014552
"831562"	302.111024	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-2H"	-2.014552
"89001"	1211.465924	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M-H"	-1.007276
"531842"	1817.702524	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M-H"	-1.007276
"898708"	605.229324	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-H"	-1.007276
"57459"	1228.492471	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M-2H+NH4"	16.019271
"498112"	1834.729071	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M-2H+NH4"	16.019271
"872633"	622.255871	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-2H+NH4"	16.019271
"47119"	1233.447866	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M-2H+Na"	20.974666
"486049"	1839.684466	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M-2H+Na"	20.974666
"861175"	627.211266	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-2H+Na"	20.974666
"1628521"	627.211266	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Na-2H"	20.974666
"105054"	623.217663	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M-H+Cl"	33.962126
"543519"	926.335963	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M-H+Cl"	33.962126
"935941"	320.099363	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-H+Cl"	33.962126
"275590"	1247.442602	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+Cl"	34.969402
"670201"	1853.679202	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+Cl"	34.969402
"1278592"	641.206002	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Cl"	34.969402
"20784"	1249.421806	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M-2H+K"	36.948606
"469463"	1855.658406	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M-2H+K"	36.948606
"842524"	643.185206	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-2H+K"	36.948606
"1559447"	643.185206	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+K-2H"	36.948606
"946243"	651.234794	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-H+HCOOH"	44.998194
"367743"	1257.471401	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+HCOOH-H"	44.998201
"359286"	1271.487051	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+Hac-H"	59.013851
"1506906"	665.250451	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Hac-H"	59.013851
"973476"	673.216751	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-H+NaCOOH"	66.980151
"122378"	641.206002	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+2Cl"	69.938804
"564737"	944.324302	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+2Cl"	69.938804
"1034383"	338.087702	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2Cl"	69.938804
"1256515"	685.155485	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Br"	78.918885
"1309484"	687.211472	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Cl+HCOOH"	80.974872
"1329168"	709.193429	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Cl+NaCOOH"	102.956829
"914394"	719.222186	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M-H+CF3COOH"	112.985586
"1294748"	755.198864	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Cl+CF3COOH"	148.962264
"1371815"	571.223924	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H-2H2O"	-35.012676
"1386032"	589.2339	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H-H2O"	-17.0027
"292284"	1213.480476	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+H"	1.007276
"686894"	1819.717076	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+H"	1.007276
"1358866"	607.243876	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H"	1.007276
"136128"	607.243876	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+2H"	2.014552
"575688"	910.362176	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+2H"	2.014552
"1045579"	304.125576	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2H"	2.014552
"212388"	405.165009333333	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+3H"	3.021828
"646842"	607.243876	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+3H"	3.021828
"1165695"	203.086142666667	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+3H"	3.021828
"428241"	1230.507023	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+NH4"	18.033823
"791061"	1836.743623	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+NH4"	18.033823
"1686302"	624.270423	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+NH4"	18.033823
"333850"	615.7571495	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+H+NH4"	19.041099
"725541"	918.8754495	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+H+NH4"	19.041099
"1491768"	312.6388495	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H+NH4"	19.041099
"408261"	1235.462418	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+Na"	22.989218
"768161"	1841.699018	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+Na"	22.989218
"1614070"	629.225818	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Na"	22.989218
"327387"	618.234847	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+H+Na"	23.996494
"721629"	921.353147	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+H+Na"	23.996494
"1473627"	315.116547	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H+Na"	23.996494
"1067239"	210.413456666667	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2H+Na"	25.00377
"1268558"	639.270086	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+CH3OH+H"	33.033486
"390414"	1251.436358	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+K"	38.963158
"753924"	1857.672958	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+K"	38.963158
"1554559"	645.199758	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+K"	38.963158
"313518"	626.221817	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+H+K"	39.970434
"706303"	929.340117	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+H+K"	39.970434
"1460496"	323.103517	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H+K"	39.970434
"250595"	1254.507026	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+ACN+H"	42.033826
"1224515"	648.270426	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+ACN+H"	42.033826
"1208885"	324.638851	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+ACN+2H"	43.041102
"203336"	1257.44436	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+2Na-H"	44.97116
"643871"	1863.68096	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+2Na-H"	44.97116
"1146522"	651.20776	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2Na-H"	44.97116
"184581"	629.225818	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+2Na"	45.978436
"626330"	932.344118	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+2Na"	45.978436
"1126916"	326.107518	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2Na"	45.978436
"1406797"	217.740770666667	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H+2Na"	46.985712
"1438918"	653.249346	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H+HCOOH"	47.012746
"234084"	634.25884	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+3H2O+2H"	56.04448
"1522145"	667.30139	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+IsoProp+H"	61.06479
"423987"	637.212788	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+Na+K"	61.952376
"783932"	940.331088	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+Na+K"	61.952376
"1680019"	334.094488	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Na+K"	61.952376
"264596"	1276.488968	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+ACN+Na"	64.015768
"1238033"	670.252368	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+ACN+Na"	64.015768
"1726921"	670.275893	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+NH4+HCOOH"	64.039293
"1191181"	225.068084666667	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+3Na"	68.967654
"1661799"	675.231288	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Na+HCOOH"	68.994688
"169758"	1289.39224	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+2K-H"	76.91904
"611146"	1895.62884	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+2K-H"	76.91904
"1095657"	683.15564	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2K-H"	76.91904
"147004"	645.199758	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"2M+2K"	77.926316
"583404"	948.318058	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"3M+2K"	77.926316
"1074357"	342.081458	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2K"	77.926316
"1105378"	685.170192	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2K+H"	78.933592
"1340671"	685.257807	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+DMSO+H"	79.021207
"1006402"	689.296976	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2ACN+H"	83.060376
"1528420"	690.290608	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+IsoProp+Na+H"	84.054008
"991589"	345.152126	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+2ACN+2H"	84.067652
"1590830"	691.205228	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+K+HCOOH"	84.968628
"1420502"	721.236738	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+H+CF3COOH"	115.000138
"1152982"	365.665401	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+3ACN+2H"	125.094202
"1703627"	738.263285	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+NH4+CF3COOH"	132.026685
"1646932"	743.21868	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+Na+CF3COOH"	136.98208
"1585862"	759.19262	"C09370"	"Cancentrine"	"C36H34N2O7"	"606.2366"	"M+K+CF3COOH"	152.95602
"806385"	371.1733	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M"	0
"976999"	352.15491	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-H2O-H"	-19.01839
"77642"	246.441590666667	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M-3H"	-3.021828
"517566"	370.166024	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M-3H"	-3.021828
"885532"	122.717157333333	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-3H"	-3.021828
"15406"	370.166024	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M-2H"	-2.014552
"452412"	555.752674	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M-2H"	-2.014552
"829849"	184.579374	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-2H"	-2.014552
"89111"	741.339324	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M-H"	-1.007276
"532682"	1112.512624	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M-H"	-1.007276
"907565"	370.166024	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-H"	-1.007276
"53195"	758.365871	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M-2H+NH4"	16.019271
"490567"	1129.539171	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M-2H+NH4"	16.019271
"871650"	387.192571	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-2H+NH4"	16.019271
"42832"	763.321266	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M-2H+Na"	20.974666
"483120"	1134.494566	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M-2H+Na"	20.974666
"858004"	392.147966	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-2H+Na"	20.974666
"1621339"	392.147966	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Na-2H"	20.974666
"102975"	388.154363	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M-H+Cl"	33.962126
"542535"	573.741013	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M-H+Cl"	33.962126
"938239"	202.567713	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-H+Cl"	33.962126
"275700"	777.316002	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+Cl"	34.969402
"671404"	1148.489302	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+Cl"	34.969402
"1279431"	406.142702	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Cl"	34.969402
"19802"	779.295206	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M-2H+K"	36.948606
"469573"	1150.468506	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M-2H+K"	36.948606
"845912"	408.121906	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-2H+K"	36.948606
"1557370"	408.121906	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+K-2H"	36.948606
"948540"	416.171494	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-H+HCOOH"	44.998194
"366760"	787.344801	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+HCOOH-H"	44.998201
"359395"	801.360451	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+Hac-H"	59.013851
"1506770"	430.187151	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Hac-H"	59.013851
"973584"	438.153451	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-H+NaCOOH"	66.980151
"125526"	406.142702	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+2Cl"	69.938804
"565413"	591.729352	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+2Cl"	69.938804
"1036887"	220.556052	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2Cl"	69.938804
"1256626"	450.092185	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Br"	78.918885
"1310688"	452.148172	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Cl+HCOOH"	80.974872
"1331101"	474.130129	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Cl+NaCOOH"	102.956829
"915963"	484.158886	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M-H+CF3COOH"	112.985586
"1297045"	520.135564	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Cl+CF3COOH"	148.962264
"1373019"	336.160624	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H-2H2O"	-35.012676
"1387235"	354.1706	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H-H2O"	-17.0027
"292394"	743.353876	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+H"	1.007276
"685911"	1114.527176	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+H"	1.007276
"1361163"	372.180576	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H"	1.007276
"135145"	372.180576	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+2H"	2.014552
"577987"	557.767226	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+2H"	2.014552
"1046783"	186.593926	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2H"	2.014552
"212498"	248.456142666667	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+3H"	3.021828
"648774"	372.180576	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+3H"	3.021828
"1163619"	124.731709333333	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+3H"	3.021828
"425795"	760.380423	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+NH4"	18.033823
"792264"	1131.553723	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+NH4"	18.033823
"1687505"	389.207123	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+NH4"	18.033823
"333231"	380.6938495	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+H+NH4"	19.041099
"723703"	566.2804995	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+H+NH4"	19.041099
"1484575"	195.1071995	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H+NH4"	19.041099
"403996"	765.335818	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+Na"	22.989218
"765716"	1136.509118	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+Na"	22.989218
"1611991"	394.162518	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Na"	22.989218
"327128"	383.171547	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+H+Na"	23.996494
"719913"	568.758197	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+H+Na"	23.996494
"1470456"	197.584897	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H+Na"	23.996494
"1064797"	132.059023333333	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2H+Na"	25.00377
"1265389"	404.206786	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+CH3OH+H"	33.033486
"390524"	781.309758	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+K"	38.963158
"754201"	1152.483058	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+K"	38.963158
"1552481"	410.136458	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+K"	38.963158
"313910"	391.158517	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+H+K"	39.970434
"706453"	576.745167	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+H+K"	39.970434
"1460646"	205.571867	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H+K"	39.970434
"250705"	784.380426	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+ACN+H"	42.033826
"1224139"	413.207126	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+ACN+H"	42.033826
"1208994"	207.107201	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+ACN+2H"	43.041102
"202836"	787.31776	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+2Na-H"	44.97116
"643574"	1158.49106	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+2Na-H"	44.97116
"1146388"	416.14446	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2Na-H"	44.97116
"184691"	394.162518	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+2Na"	45.978436
"625344"	579.749168	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+2Na"	45.978436
"1121196"	208.575868	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2Na"	45.978436
"1404721"	139.386337333333	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H+2Na"	46.985712
"1436837"	418.186046	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H+HCOOH"	47.012746
"232007"	399.19554	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+3H2O+2H"	56.04448
"1517882"	432.23809	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+IsoProp+H"	61.06479
"423648"	402.149488	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+Na+K"	61.952376
"785256"	587.736138	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+Na+K"	61.952376
"1681098"	216.562838	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Na+K"	61.952376
"265434"	806.362368	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+ACN+Na"	64.015768
"1238506"	435.189068	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+ACN+Na"	64.015768
"1724477"	435.212593	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+NH4+HCOOH"	64.039293
"1188738"	146.713651333333	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+3Na"	68.967654
"1662274"	440.167988	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Na+HCOOH"	68.994688
"169139"	819.26564	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+2K-H"	76.91904
"611621"	1190.43894	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+2K-H"	76.91904
"1096495"	448.09234	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2K-H"	76.91904
"147114"	410.136458	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"2M+2K"	77.926316
"582175"	595.723108	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"3M+2K"	77.926316
"1076655"	224.549808	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2K"	77.926316
"1102209"	450.106892	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2K+H"	78.933592
"1338594"	450.194507	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+DMSO+H"	79.021207
"1010405"	454.233676	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2ACN+H"	83.060376
"1528531"	455.227308	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+IsoProp+Na+H"	84.054008
"998259"	227.620476	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+2ACN+2H"	84.067652
"1590576"	456.141928	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+K+HCOOH"	84.968628
"1419519"	486.173438	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+H+CF3COOH"	115.000138
"1153092"	248.133751	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+3ACN+2H"	125.094202
"1703737"	503.199985	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+NH4+CF3COOH"	132.026685
"1645949"	508.15538	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+Na+CF3COOH"	136.98208
"1585972"	524.12932	"C09371"	"Capaurine"	"C21H25NO5"	"371.1733"	"M+K+CF3COOH"	152.95602
"806495"	367.1056	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M"	0
"978932"	348.08721	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-H2O-H"	-19.01839
"77024"	243.729790666667	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M-3H"	-3.021828
"516581"	366.098324	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M-3H"	-3.021828
"883455"	121.361257333333	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-3H"	-3.021828
"12963"	366.098324	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M-2H"	-2.014552
"445962"	549.651124	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M-2H"	-2.014552
"828137"	182.545524	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-2H"	-2.014552
"85941"	733.203924	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M-H"	-1.007276
"532550"	1100.309524	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M-H"	-1.007276
"904395"	366.098324	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-H"	-1.007276
"50022"	750.230471	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M-2H+NH4"	16.019271
"491769"	1117.336071	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M-2H+NH4"	16.019271
"871757"	383.124871	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-2H+NH4"	16.019271
"33098"	755.185866	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M-2H+Na"	20.974666
"474845"	1122.291466	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M-2H+Na"	20.974666
"857019"	388.080266	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-2H+Na"	20.974666
"1619260"	388.080266	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Na-2H"	20.974666
"99806"	384.086663	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M-H+Cl"	33.962126
"541552"	567.639463	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M-H+Cl"	33.962126
"936161"	200.533863	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-H+Cl"	33.962126
"273623"	769.180602	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+Cl"	34.969402
"670421"	1136.286202	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+Cl"	34.969402
"1277719"	402.075002	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Cl"	34.969402
"23192"	771.159806	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M-2H+K"	36.948606
"467860"	1138.265406	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M-2H+K"	36.948606
"842743"	404.054206	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-2H+K"	36.948606
"1558208"	404.054206	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+K-2H"	36.948606
"948650"	412.103794	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-H+HCOOH"	44.998194
"373066"	779.209401	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+HCOOH-H"	44.998201
"359508"	793.225051	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+Hac-H"	59.013851
"1507489"	426.119451	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Hac-H"	59.013851
"973576"	434.085751	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-H+NaCOOH"	66.980151
"124665"	402.075002	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+2Cl"	69.938804
"565404"	585.627802	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+2Cl"	69.938804
"1036672"	218.522202	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2Cl"	69.938804
"1257028"	446.024485	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Br"	78.918885
"1310798"	448.080472	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Cl+HCOOH"	80.974872
"1329388"	470.062429	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Cl+NaCOOH"	102.956829
"913885"	480.091186	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M-H+CF3COOH"	112.985586
"1292052"	516.067864	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Cl+CF3COOH"	148.962264
"1369850"	332.092924	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H-2H2O"	-35.012676
"1385160"	350.1029	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H-H2O"	-17.0027
"294690"	735.218476	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+H"	1.007276
"687114"	1102.324076	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+H"	1.007276
"1361273"	368.112876	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H"	1.007276
"136349"	368.112876	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+2H"	2.014552
"578096"	551.665676	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+2H"	2.014552
"1045800"	184.560076	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2H"	2.014552
"213700"	245.744342666667	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+3H"	3.021828
"648883"	368.112876	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+3H"	3.021828
"1167008"	123.375809333333	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+3H"	3.021828
"424808"	752.245023	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+NH4"	18.033823
"793467"	1119.350623	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+NH4"	18.033823
"1686881"	385.139423	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+NH4"	18.033823
"336256"	376.6261495	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+H+NH4"	19.041099
"723813"	560.1789495	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+H+NH4"	19.041099
"1483591"	193.0733495	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H+NH4"	19.041099
"403013"	757.200418	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+Na"	22.989218
"765825"	1124.306018	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+Na"	22.989218
"1612100"	390.094818	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Na"	22.989218
"327360"	379.103847	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+H+Na"	23.996494
"718930"	562.656647	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+H+Na"	23.996494
"1469473"	195.551047	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H+Na"	23.996494
"1065879"	130.703123333333	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2H+Na"	25.00377
"1266593"	400.139086	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+CH3OH+H"	33.033486
"384074"	773.174358	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+K"	38.963158
"750174"	1140.279958	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+K"	38.963158
"1550405"	406.068758	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+K"	38.963158
"312684"	387.090817	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+H+K"	39.970434
"704012"	570.643617	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+H+K"	39.970434
"1459289"	203.538017	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H+K"	39.970434
"250814"	776.245026	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+ACN+H"	42.033826
"1222789"	409.139426	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+ACN+H"	42.033826
"1209590"	205.073351	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+ACN+2H"	43.041102
"203555"	779.18236	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+2Na-H"	44.97116
"644053"	1146.28796	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+2Na-H"	44.97116
"1144796"	412.07676	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2Na-H"	44.97116
"185531"	390.094818	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+2Na"	45.978436
"625454"	573.647618	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+2Na"	45.978436
"1123128"	206.542018	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2Na"	45.978436
"1405923"	138.030437333333	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H+2Na"	46.985712
"1434761"	414.118346	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H+HCOOH"	47.012746
"232117"	395.12784	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+3H2O+2H"	56.04448
"1517992"	428.17039	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+IsoProp+H"	61.06479
"423758"	398.081788	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+Na+K"	61.952376
"784883"	581.634588	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+Na+K"	61.952376
"1680727"	214.528988	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Na+K"	61.952376
"264452"	798.226968	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+ACN+Na"	64.015768
"1240075"	431.121368	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+ACN+Na"	64.015768
"1725316"	431.144893	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+NH4+HCOOH"	64.039293
"1191764"	145.357751333333	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+3Na"	68.967654
"1660926"	436.100288	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Na+HCOOH"	68.994688
"168155"	811.13024	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+2K-H"	76.91904
"611731"	1178.23584	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+2K-H"	76.91904
"1096604"	444.02464	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2K-H"	76.91904
"147224"	406.068758	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"2M+2K"	77.926316
"581797"	589.621558	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"3M+2K"	77.926316
"1073484"	222.515958	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2K"	77.926316
"1102318"	446.039192	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2K+H"	78.933592
"1338704"	446.126807	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+DMSO+H"	79.021207
"1011608"	450.165976	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2ACN+H"	83.060376
"1530827"	451.159608	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+IsoProp+Na+H"	84.054008
"998369"	225.586626	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+2ACN+2H"	84.067652
"1591780"	452.074228	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+K+HCOOH"	84.968628
"1415257"	482.105738	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+H+CF3COOH"	115.000138
"1155389"	246.099901	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+3ACN+2H"	125.094202
"1703847"	499.132285	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+NH4+CF3COOH"	132.026685
"1646059"	504.08768	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+Na+CF3COOH"	136.98208
"1586082"	520.06162	"C09372"	"Capnoidine;(-)-Adlumidine"	"C20H17NO6"	"367.1056"	"M+K+CF3COOH"	152.95602
"806605"	320.126	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M"	0
"977949"	301.10761	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-H2O-H"	-19.01839
"76043"	212.410057333333	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M-3H"	-3.021828
"517304"	319.118724	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M-3H"	-3.021828
"882472"	105.701390666667	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-3H"	-3.021828
"6513"	319.118724	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M-2H"	-2.014552
"451539"	479.181724	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M-2H"	-2.014552
"830432"	159.055724	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-2H"	-2.014552
"82770"	639.244724	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M-H"	-1.007276
"526704"	959.370724	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M-H"	-1.007276
"904505"	319.118724	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-H"	-1.007276
"51224"	656.271271	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M-2H+NH4"	16.019271
"488599"	976.397271	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M-2H+NH4"	16.019271
"866400"	336.145271	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-2H+NH4"	16.019271
"36488"	661.226666	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M-2H+Na"	20.974666
"473862"	981.352666	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M-2H+Na"	20.974666
"854943"	341.100666	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-2H+Na"	20.974666
"1621194"	341.100666	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Na-2H"	20.974666
"99187"	337.107063	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M-H+Cl"	33.962126
"543849"	497.170063	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M-H+Cl"	33.962126
"936271"	177.044063	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-H+Cl"	33.962126
"273733"	675.221402	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+Cl"	34.969402
"670531"	995.347402	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+Cl"	34.969402
"1278558"	355.095402	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Cl"	34.969402
"24395"	677.200606	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M-2H+K"	36.948606
"468334"	997.326606	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M-2H+K"	36.948606
"840665"	357.074606	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-2H+K"	36.948606
"1558319"	357.074606	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+K-2H"	36.948606
"945839"	365.124194	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-H+HCOOH"	44.998194
"362596"	685.250201	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+HCOOH-H"	44.998201
"360344"	699.265851	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+Hac-H"	59.013851
"1505893"	379.139851	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Hac-H"	59.013851
"973562"	387.106151	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-H+NaCOOH"	66.980151
"125545"	355.095402	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+2Cl"	69.938804
"563361"	515.158402	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+2Cl"	69.938804
"1036541"	195.032402	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2Cl"	69.938804
"1256605"	399.044885	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Br"	78.918885
"1310908"	401.100872	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Cl+HCOOH"	80.974872
"1328404"	423.082829	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Cl+NaCOOH"	102.956829
"913266"	433.111586	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M-H+CF3COOH"	112.985586
"1291798"	469.088264	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Cl+CF3COOH"	148.962264
"1368867"	285.113324	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H-2H2O"	-35.012676
"1384177"	303.1233	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H-H2O"	-17.0027
"296987"	641.259276	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+H"	1.007276
"685038"	961.385276	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+H"	1.007276
"1361383"	321.133276	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H"	1.007276
"136459"	321.133276	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+2H"	2.014552
"579299"	481.196276	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+2H"	2.014552
"1048096"	161.070276	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2H"	2.014552
"214904"	214.424609333333	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+3H"	3.021828
"647900"	321.133276	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+3H"	3.021828
"1164932"	107.715942666667	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+3H"	3.021828
"425285"	658.285823	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+NH4"	18.033823
"793577"	978.411823	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+NH4"	18.033823
"1686627"	338.159823	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+NH4"	18.033823
"334179"	329.6465495	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+H+NH4"	19.041099
"724166"	489.7095495	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+H+NH4"	19.041099
"1482243"	169.5835495	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H+NH4"	19.041099
"403852"	663.241218	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+Na"	22.989218
"766299"	983.367218	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+Na"	22.989218
"1612210"	343.115218	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Na"	22.989218
"327348"	332.124247	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+H+Na"	23.996494
"719040"	492.187247	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+H+Na"	23.996494
"1470676"	172.061247	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H+Na"	23.996494
"1066111"	115.043256666667	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2H+Na"	25.00377
"1265610"	353.159486	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+CH3OH+H"	33.033486
"386372"	679.215158	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+K"	38.963158
"749555"	999.341158	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+K"	38.963158
"1550515"	359.089158	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+K"	38.963158
"312430"	340.111217	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+H+K"	39.970434
"705581"	500.174217	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+H+K"	39.970434
"1457213"	180.048217	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H+K"	39.970434
"249467"	682.285826	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+ACN+H"	42.033826
"1222899"	362.159826	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+ACN+H"	42.033826
"1207390"	181.583551	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+ACN+2H"	43.041102
"200745"	685.22316	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+2Na-H"	44.97116
"643232"	1005.34916	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+2Na-H"	44.97116
"1144905"	365.09716	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2Na-H"	44.97116
"184549"	343.115218	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+2Na"	45.978436
"625566"	503.178218	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+2Na"	45.978436
"1122875"	183.052218	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2Na"	45.978436
"1404940"	122.370570666667	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H+2Na"	46.985712
"1441069"	367.138746	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H+HCOOH"	47.012746
"231863"	348.14824	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+3H2O+2H"	56.04448
"1518102"	381.19079	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+IsoProp+H"	61.06479
"417785"	351.102188	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+Na+K"	61.952376
"784630"	511.165188	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+Na+K"	61.952376
"1679985"	191.039188	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Na+K"	61.952376
"264926"	704.267768	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+ACN+Na"	64.015768
"1240064"	384.141768	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+ACN+Na"	64.015768
"1724697"	384.165293	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+NH4+HCOOH"	64.039293
"1191873"	129.697884666667	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+3Na"	68.967654
"1661399"	389.120688	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Na+HCOOH"	68.994688
"167534"	717.17104	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+2K-H"	76.91904
"611718"	1037.29704	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+2K-H"	76.91904
"1095986"	397.04504	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2K-H"	76.91904
"147333"	359.089158	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"2M+2K"	77.926316
"581705"	519.152158	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"3M+2K"	77.926316
"1073593"	199.026158	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2K"	77.926316
"1106805"	399.059592	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2K+H"	78.933592
"1341001"	399.147207	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+DMSO+H"	79.021207
"1009532"	403.186376	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2ACN+H"	83.060376
"1529845"	404.180008	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+IsoProp+Na+H"	84.054008
"996294"	202.096826	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+2ACN+2H"	84.067652
"1590798"	405.094628	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+K+HCOOH"	84.968628
"1415367"	435.126138	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+H+CF3COOH"	115.000138
"1156591"	222.610101	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+3ACN+2H"	125.094202
"1703957"	452.152685	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+NH4+CF3COOH"	132.026685
"1641794"	457.10808	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+Na+CF3COOH"	136.98208
"1586192"	473.08202	"C09373"	"Conchosin B"	"C17H20O6"	"320.126"	"M+K+CF3COOH"	152.95602
"806715"	306.1467	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M"	0
"981339"	287.12831	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"76153"	203.090524	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"516806"	305.139424	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"882582"	101.041624	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"8810"	305.139424	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"446182"	458.212774	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"830422"	152.066074	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"89440"	611.286124	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"530094"	917.432824	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"907895"	305.139424	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"50242"	628.312671	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"488464"	934.459371	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"871977"	322.165971	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"36598"	633.268066	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"480531"	939.414766	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"856146"	327.121366	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1621304"	327.121366	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"102213"	323.127763	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"543959"	476.201113	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"936381"	170.054413	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"273843"	647.262802	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"669548"	953.409502	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1279761"	341.116102	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"25598"	649.242006	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"468443"	955.388706	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"838588"	343.095306	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1558791"	343.095306	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"943632"	351.144894	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"362824"	657.291601	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"360092"	671.307251	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1505640"	365.160551	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"973914"	373.126851	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"124884"	341.116102	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"565254"	494.189452	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1036774"	188.042752	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1256589"	385.065585	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1313204"	387.121572	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1332524"	409.103529	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"915198"	419.132286	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1293001"	455.108964	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1373350"	271.134024	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1389752"	289.144	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"291628"	613.300676	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"685143"	919.447376	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1360400"	307.153976	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"136569"	307.153976	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"577222"	460.227326	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1046020"	154.080626	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"212828"	205.105076	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"647282"	307.153976	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1162972"	103.056176	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"425879"	630.327223	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"786184"	936.473923	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1686008"	324.180523	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"333196"	315.6672495	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"723427"	468.7405995	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1480527"	162.5938995	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"405055"	635.282618	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"766409"	941.429318	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1613412"	329.135918	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"325635"	318.144947	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"719151"	471.218297	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1471879"	165.071597	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1066221"	110.38349	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1266814"	339.180186	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"386847"	651.256558	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"750395"	957.403258	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1554636"	345.109858	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"312539"	326.131917	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"706422"	479.205267	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1457323"	173.058567	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"250547"	654.327226	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1224591"	348.180526	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1208229"	174.593901	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"202314"	657.26456	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"643707"	963.41126	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1145992"	351.11786	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"185387"	329.135918	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"620208"	482.209268	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1120433"	176.062568	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1411617"	117.710804	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1439358"	353.159446	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"231244"	334.16894	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1518212"	367.21149	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"415709"	337.122888	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"784254"	490.196238	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1679245"	184.049538	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"264308"	676.309168	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1239567"	370.162468	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1723715"	370.185993	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1190161"	125.038118	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1662239"	375.141388	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"165458"	689.21244	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"611828"	995.35914	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1097188"	383.06574	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"145257"	345.109858	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"584819"	498.183208	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1076984"	192.036508	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1109104"	385.080292	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1341115"	385.167907	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1009642"	389.207076	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1527766"	390.200708	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"993122"	195.107176	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1592000"	391.115328	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1415477"	421.146838	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1153421"	215.620451	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1704067"	438.173385	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1641904"	443.12878	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1586302"	459.10272	"C09374"	"Confertiflorin;()-Confertiflorin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"806825"	221.1416	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M"	0
"977075"	202.12321	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-H2O-H"	-19.01839
"78286"	146.420457333333	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M-3H"	-3.021828
"518134"	220.134324	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M-3H"	-3.021828
"883785"	72.7065906666667	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-3H"	-3.021828
"8920"	220.134324	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M-2H"	-2.014552
"454433"	330.705124	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M-2H"	-2.014552
"830652"	109.563524	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-2H"	-2.014552
"86270"	441.275924	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M-H"	-1.007276
"530204"	662.417524	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M-H"	-1.007276
"908005"	220.134324	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-H"	-1.007276
"50354"	458.302471	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M-2H+NH4"	16.019271
"492100"	679.444071	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M-2H+NH4"	16.019271
"869901"	237.160871	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-2H+NH4"	16.019271
"36707"	463.257866	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M-2H+Na"	20.974666
"475295"	684.399466	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M-2H+Na"	20.974666
"852004"	242.116266	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-2H+Na"	20.974666
"1621414"	242.116266	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Na-2H"	20.974666
"103415"	238.122663	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M-H+Cl"	33.962126
"538601"	348.693463	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M-H+Cl"	33.962126
"933211"	127.551863	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-H+Cl"	33.962126
"272860"	477.252602	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+Cl"	34.969402
"670751"	698.394202	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+Cl"	34.969402
"1278778"	256.111002	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Cl"	34.969402
"23522"	479.231806	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M-2H+K"	36.948606
"469646"	700.373406	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M-2H+K"	36.948606
"837605"	258.090206	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-2H+K"	36.948606
"1558537"	258.090206	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+K-2H"	36.948606
"944596"	266.139794	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-H+HCOOH"	44.998194
"362813"	487.281401	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+HCOOH-H"	44.998201
"358742"	501.297051	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+Hac-H"	59.013851
"1506116"	280.155451	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Hac-H"	59.013851
"971833"	288.121751	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-H+NaCOOH"	66.980151
"122927"	256.111002	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+2Cl"	69.938804
"565364"	366.681802	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+2Cl"	69.938804
"1036883"	145.540202	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2Cl"	69.938804
"1256660"	300.060485	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Br"	78.918885
"1313314"	302.116472	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Cl+HCOOH"	80.974872
"1332634"	324.098429	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Cl+NaCOOH"	102.956829
"922963"	334.127186	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M-H+CF3COOH"	112.985586
"1299671"	370.103864	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Cl+CF3COOH"	148.962264
"1373460"	186.128924	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H-2H2O"	-35.012676
"1390956"	204.1389	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H-H2O"	-17.0027
"290645"	443.290476	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+H"	1.007276
"679785"	664.432076	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+H"	1.007276
"1360510"	222.148876	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H"	1.007276
"134491"	222.148876	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+2H"	2.014552
"570771"	332.719676	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+2H"	2.014552
"1042121"	111.578076	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2H"	2.014552
"209657"	148.435009333333	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+3H"	3.021828
"647756"	222.148876	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+3H"	3.021828
"1163569"	74.7211426666667	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+3H"	3.021828
"425382"	460.317023	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+NH4"	18.033823
"785698"	681.458623	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+NH4"	18.033823
"1685389"	239.175423	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+NH4"	18.033823
"334035"	230.6621495	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+H+NH4"	19.041099
"726816"	341.2329495	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+H+NH4"	19.041099
"1483916"	120.0913495	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H+NH4"	19.041099
"405529"	465.272418	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+Na"	22.989218
"763240"	686.414018	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+Na"	22.989218
"1610244"	244.130818	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Na"	22.989218
"325746"	233.139847	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+H+Na"	23.996494
"719261"	343.710647	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+H+Na"	23.996494
"1474176"	122.569047	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H+Na"	23.996494
"1061959"	82.0484566666667	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2H+Na"	25.00377
"1266923"	254.175086	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+CH3OH+H"	33.033486
"387321"	481.246358	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+K"	38.963158
"750871"	702.387958	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+K"	38.963158
"1552923"	260.104758	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+K"	38.963158
"313743"	241.126817	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+H+K"	39.970434
"705436"	351.697617	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+H+K"	39.970434
"1457433"	130.556017	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H+K"	39.970434
"251020"	484.317026	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+ACN+H"	42.033826
"1225268"	263.175426	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+ACN+H"	42.033826
"1205179"	132.091351	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+ACN+2H"	43.041102
"200236"	487.25436	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+2Na-H"	44.97116
"642713"	708.39596	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+2Na-H"	44.97116
"1143300"	266.11276	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2Na-H"	44.97116
"179665"	244.130818	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+2Na"	45.978436
"617038"	354.701618	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+2Na"	45.978436
"1119451"	133.560018	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2Na"	45.978436
"1411727"	89.3757706666667	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H+2Na"	46.985712
"1439468"	268.154346	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H+HCOOH"	47.012746
"224792"	249.16384	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+3H2O+2H"	56.04448
"1517228"	282.20639	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+IsoProp+H"	61.06479
"412539"	252.117788	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+Na+K"	61.952376
"784482"	362.688588	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+Na+K"	61.952376
"1679718"	141.546988	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Na+K"	61.952376
"265146"	506.298968	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+ACN+Na"	64.015768
"1239677"	285.157368	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+ACN+Na"	64.015768
"1724918"	285.180893	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+NH4+HCOOH"	64.039293
"1189906"	96.7030846666667	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+3Na"	68.967654
"1660527"	290.136288	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Na+HCOOH"	68.994688
"164475"	519.20224	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+2K-H"	76.91904
"612384"	740.34384	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+2K-H"	76.91904
"1097298"	298.06064	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2K-H"	76.91904
"144276"	260.104758	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"2M+2K"	77.926316
"584930"	370.675558	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"3M+2K"	77.926316
"1073813"	149.533958	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2K"	77.926316
"1108117"	300.075192	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2K+H"	78.933592
"1345598"	300.162807	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+DMSO+H"	79.021207
"1007197"	304.201976	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2ACN+H"	83.060376
"1524832"	305.195608	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+IsoProp+Na+H"	84.054008
"995419"	152.604626	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+2ACN+2H"	84.067652
"1591017"	306.110228	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+K+HCOOH"	84.968628
"1416681"	336.141738	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+H+CF3COOH"	115.000138
"1153531"	173.117901	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+3ACN+2H"	125.094202
"1709645"	353.168285	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+NH4+CF3COOH"	132.026685
"1645294"	358.12368	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+Na+CF3COOH"	136.98208
"1586412"	374.09762	"C09375"	"(-)-Carnegine;Carnegine"	"C13H19NO2"	"221.1416"	"M+K+CF3COOH"	152.95602
"810216"	234.162	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M"	0
"980467"	215.14361	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"68707"	155.100724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"518205"	233.154724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"893736"	77.046724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"15347"	233.154724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"454665"	350.235724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"829668"	116.073724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"89660"	467.316724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"532137"	701.478724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"910547"	233.154724	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"50098"	484.343271	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"492209"	718.505271	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"870011"	250.181271	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"40098"	489.298666	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"475284"	723.460666	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"851991"	255.136666	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1619456"	255.136666	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"97329"	251.143063	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"536158"	368.224063	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"933320"	134.062063	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"268960"	503.293402	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"668675"	737.455402	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1276701"	269.131402	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"24725"	505.272606	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"467569"	739.434606	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"838808"	271.110606	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1557919"	271.110606	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"942837"	279.160194	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"363289"	513.322201	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"355566"	527.337851	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1504399"	293.175851	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"971578"	301.142151	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"123765"	269.131402	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"564784"	386.212402	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1036588"	152.050402	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1256815"	313.080885	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1316705"	315.136872	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1332013"	337.118829	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"925868"	347.147586	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1302697"	383.124264	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1376847"	199.149324	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1392159"	217.1593	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"290755"	469.331276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"679895"	703.493276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1361714"	235.169276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H"	1.007276
"136787"	235.169276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"573068"	352.250276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1044053"	118.088276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"209767"	157.115276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"648230"	235.169276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1164166"	79.061276	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"424269"	486.357823	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"786003"	720.519823	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1688050"	252.195823	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"336332"	243.6825495	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"728748"	360.7635495	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1482569"	126.6015495	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"401254"	491.313218	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"765532"	725.475218	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1613635"	257.151218	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"326951"	246.160247	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"717184"	363.241247	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1474286"	129.079247	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1066077"	86.38859	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1269588"	267.195486	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"390713"	507.287158	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"748797"	741.449158	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1551943"	273.125158	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+K"	38.963158
"313495"	254.147217	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"705916"	371.228217	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1461259"	137.066217	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"251371"	510.357826	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1225497"	276.195826	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1209882"	138.601551	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"202534"	513.29516	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"643189"	747.45716	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1144141"	279.13316	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"178684"	257.151218	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"616420"	374.232218	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1120654"	140.070218	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1412566"	93.715904	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1439578"	281.174746	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"231462"	262.18424	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1520619"	295.22679	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"419211"	265.138188	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"785544"	382.219188	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1681000"	148.057188	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"265857"	532.339768	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1239781"	298.177768	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1727215"	298.201293	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1190016"	101.043218	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1661730"	303.156688	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"165678"	545.24304	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"610590"	779.40504	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1097408"	311.08104	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"143655"	273.125158	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"583215"	390.206158	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1071737"	156.044158	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1108228"	313.095592	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1340239"	313.183207	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1008770"	317.222376	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1532364"	318.216008	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"995531"	159.114826	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1593318"	319.130628	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1418977"	349.162138	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1159109"	179.628101	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1709755"	366.188685	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1645405"	371.14408	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1586522"	387.11802	"C09376"	"Confertifolin"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"807045"	341.1627	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M"	0
"976201"	322.14431	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-H2O-H"	-19.01839
"63713"	226.434524	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M-3H"	-3.021828
"516039"	340.155424	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M-3H"	-3.021828
"893847"	112.713624	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-3H"	-3.021828
"15336"	340.155424	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M-2H"	-2.014552
"455262"	510.736774	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M-2H"	-2.014552
"831724"	169.574074	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-2H"	-2.014552
"92930"	681.318124	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M-H"	-1.007276
"533343"	1022.480824	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M-H"	-1.007276
"910537"	340.155424	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-H"	-1.007276
"50574"	698.344671	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M-2H+NH4"	16.019271
"493412"	1039.507371	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M-2H+NH4"	16.019271
"872308"	357.181971	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-2H+NH4"	16.019271
"41302"	703.300066	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M-2H+Na"	20.974666
"477581"	1044.462766	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M-2H+Na"	20.974666
"850279"	362.137366	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-2H+Na"	20.974666
"1618919"	362.137366	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Na-2H"	20.974666
"95982"	358.143763	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M-H+Cl"	33.962126
"534811"	528.725113	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M-H+Cl"	33.962126
"928687"	187.562413	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-H+Cl"	33.962126
"269070"	717.294802	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+Cl"	34.969402
"669879"	1058.457502	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+Cl"	34.969402
"1277905"	376.132102	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Cl"	34.969402
"20462"	719.274006	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M-2H+K"	36.948606
"465492"	1060.436706	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M-2H+K"	36.948606
"836731"	378.111306	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-2H+K"	36.948606
"1558029"	378.111306	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+K-2H"	36.948606
"943033"	386.160894	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-H+HCOOH"	44.998194
"362671"	727.323601	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+HCOOH-H"	44.998201
"355676"	741.339251	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+Hac-H"	59.013851
"1500134"	400.176551	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Hac-H"	59.013851
"960020"	408.142851	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-H+NaCOOH"	66.980151
"116581"	376.132102	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+2Cl"	69.938804
"551765"	546.713452	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+2Cl"	69.938804
"1035519"	205.550752	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2Cl"	69.938804
"1255824"	420.081585	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Br"	78.918885
"1315721"	422.137572	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Cl+HCOOH"	80.974872
"1327750"	444.119529	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Cl+NaCOOH"	102.956829
"922088"	454.148286	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M-H+CF3COOH"	112.985586
"1293330"	490.124964	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Cl+CF3COOH"	148.962264
"1371490"	306.150024	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H-2H2O"	-35.012676
"1382993"	324.16	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H-H2O"	-17.0027
"291959"	683.332676	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+H"	1.007276
"681099"	1024.495376	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+H"	1.007276
"1360731"	342.169976	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H"	1.007276
"132524"	342.169976	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+2H"	2.014552
"572085"	512.751326	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+2H"	2.014552
"1040884"	171.588626	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2H"	2.014552
"209877"	228.449076	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+3H"	3.021828
"648340"	342.169976	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+3H"	3.021828
"1164277"	114.728176	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+3H"	3.021828
"425233"	700.359223	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+NH4"	18.033823
"785761"	1041.521923	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+NH4"	18.033823
"1685244"	359.196523	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+NH4"	18.033823
"334249"	350.6832495	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+H+NH4"	19.041099
"725575"	521.2645995	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+H+NH4"	19.041099
"1479032"	180.1018995	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H+NH4"	19.041099
"400268"	705.314618	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+Na"	22.989218
"757251"	1046.477318	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+Na"	22.989218
"1613745"	364.151918	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Na"	22.989218
"326333"	353.160947	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+H+Na"	23.996494
"717294"	523.742297	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+H+Na"	23.996494
"1474396"	182.579597	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H+Na"	23.996494
"1066187"	122.05549	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2H+Na"	25.00377
"1268236"	374.196186	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+CH3OH+H"	33.033486
"388267"	721.288558	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+K"	38.963158
"752180"	1062.451258	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+K"	38.963158
"1552409"	380.125858	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+K"	38.963158
"309951"	361.147917	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+H+K"	39.970434
"706343"	531.729267	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+H+K"	39.970434
"1461018"	190.566567	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H+K"	39.970434
"248808"	724.359226	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+ACN+H"	42.033826
"1225411"	383.196526	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+ACN+H"	42.033826
"1205764"	192.101901	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+ACN+2H"	43.041102
"203010"	727.29656	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+2Na-H"	44.97116
"641476"	1068.45926	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+2Na-H"	44.97116
"1140969"	386.13386	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2Na-H"	44.97116
"178794"	364.151918	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+2Na"	45.978436
"614344"	534.733268	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+2Na"	45.978436
"1117485"	193.570568	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2Na"	45.978436
"1412676"	129.382804	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H+2Na"	46.985712
"1439688"	388.175446	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H+HCOOH"	47.012746
"235427"	369.18494	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+3H2O+2H"	56.04448
"1521823"	402.22749	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+IsoProp+H"	61.06479
"419321"	372.138888	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+Na+K"	61.952376
"785600"	542.720238	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+Na+K"	61.952376
"1679934"	201.557538	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Na+K"	61.952376
"264995"	746.341168	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+ACN+Na"	64.015768
"1236609"	405.178468	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+ACN+Na"	64.015768
"1723679"	405.201993	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+NH4+HCOOH"	64.039293
"1190125"	136.710118	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+3Na"	68.967654
"1661840"	410.157388	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Na+HCOOH"	68.994688
"166881"	759.24444	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+2K-H"	76.91904
"610821"	1100.40714	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+2K-H"	76.91904
"1097518"	418.08174	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2K-H"	76.91904
"156944"	380.125858	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"2M+2K"	77.926316
"585150"	550.707208	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"3M+2K"	77.926316
"1071847"	209.544508	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2K"	77.926316
"1111619"	420.096292	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2K+H"	78.933592
"1343631"	420.183907	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+DMSO+H"	79.021207
"1012160"	424.223076	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2ACN+H"	83.060376
"1536845"	425.216708	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+IsoProp+Na+H"	84.054008
"997828"	212.615176	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+2ACN+2H"	84.067652
"1593429"	426.131328	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+K+HCOOH"	84.968628
"1420183"	456.162838	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+H+CF3COOH"	115.000138
"1159220"	233.128451	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+3ACN+2H"	125.094202
"1706585"	473.189385	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+NH4+CF3COOH"	132.026685
"1642236"	478.14478	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+Na+CF3COOH"	136.98208
"1586632"	494.11872	"C09377"	"Caseadine"	"C20H23NO4"	"341.1627"	"M+K+CF3COOH"	152.95602
"807155"	248.1412	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M"	0
"976675"	229.12281	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"64186"	164.420190666667	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"517366"	247.133924	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"892864"	81.7064573333333	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"13985"	247.133924	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"454887"	371.204524	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"829888"	123.063324	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"92677"	495.275124	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"533333"	743.416324	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"910406"	247.133924	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"52871"	512.301671	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"495711"	760.442871	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"876672"	264.160471	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"40319"	517.257066	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"477692"	765.398266	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"851482"	269.115866	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1619313"	269.115866	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"97184"	265.122263	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"538200"	389.192863	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"929890"	141.051663	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"272822"	531.251802	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"669988"	779.393002	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1278743"	283.110602	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"21665"	533.231006	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"464509"	781.372206	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"836841"	285.089806	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1558867"	285.089806	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"944925"	293.139394	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"363141"	541.280601	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"346667"	555.296251	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1499151"	307.155051	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"962316"	315.121351	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"116691"	283.110602	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"553331"	407.181202	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1035629"	159.040002	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1255205"	327.060085	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1315831"	329.116072	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1331140"	351.098029	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"922198"	361.126786	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1292345"	397.103464	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1373785"	213.128524	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1383753"	231.1385	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"292069"	497.289676	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"679023"	745.430876	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1359748"	249.148476	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"131541"	249.148476	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"572195"	373.219076	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1040994"	125.077876	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"209257"	166.434742666667	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"648450"	249.148476	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1166574"	83.7210093333333	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"425833"	514.316223	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"787194"	762.457423	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1685353"	266.175023	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"334359"	257.6617495	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"724348"	381.7323495	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1477431"	133.5911495	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"399282"	519.271618	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"759547"	767.412818	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1612761"	271.130418	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"323890"	260.139447	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"714123"	384.210047	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1469039"	136.068847	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1063380"	91.0483233333333	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1269434"	281.174686	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"390564"	535.245558	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"752288"	783.386758	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1553492"	287.104358	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"312247"	268.126417	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"706131"	392.197017	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1460196"	144.055817	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"248554"	538.316226	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1224792"	290.175026	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1206603"	145.591151	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"202635"	541.25356	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"640492"	789.39476	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1141079"	293.11236	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"178904"	271.130418	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"617369"	395.201018	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1119781"	147.059818	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1412058"	98.3756373333333	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1439798"	295.153946	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"228402"	276.16344	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1519749"	309.20599	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"418338"	279.117388	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"784443"	403.187988	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1679317"	155.046788	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"265470"	560.298168	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1237084"	312.156968	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1723783"	312.180493	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1189143"	105.702951333333	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1659035"	317.135888	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"166263"	573.20144	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"611903"	821.34264	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1096535"	325.06024	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"157003"	287.104358	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"585624"	411.174958	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1075239"	163.033758	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1110638"	327.074792	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1347023"	327.162407	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1014457"	331.201576	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1538172"	332.195208	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"997938"	166.104426	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1593539"	333.109828	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1420293"	363.141338	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1160423"	186.617701	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1707788"	380.167885	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1645626"	385.12328	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1586742"	401.09722	"C09378"	"Confertin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"807265"	278.1154	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M"	0
"979702"	259.09701	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-H2O-H"	-19.01839
"65756"	184.402990666667	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M-3H"	-3.021828
"516988"	277.108124	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M-3H"	-3.021828
"890787"	91.6978573333333	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-3H"	-3.021828
"14094"	277.108124	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M-2H"	-2.014552
"452928"	416.165824	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M-2H"	-2.014552
"828905"	138.050424	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-2H"	-2.014552
"89989"	555.223524	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M-H"	-1.007276
"531737"	833.338924	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M-H"	-1.007276
"909909"	277.108124	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-H"	-1.007276
"54074"	572.250071	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M-2H+NH4"	16.019271
"498007"	850.365471	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M-2H+NH4"	16.019271
"876782"	294.134671	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-2H+NH4"	16.019271
"41522"	577.205466	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M-2H+Na"	20.974666
"477802"	855.320866	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M-2H+Na"	20.974666
"852685"	299.090066	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-2H+Na"	20.974666
"1620760"	299.090066	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Na-2H"	20.974666
"96563"	295.096463	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M-H+Cl"	33.962126
"538309"	434.154163	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M-H+Cl"	33.962126
"929634"	156.038763	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-H+Cl"	33.962126
"271839"	591.200202	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+Cl"	34.969402
"671191"	869.315602	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+Cl"	34.969402
"1277760"	313.084802	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Cl"	34.969402
"21409"	593.179406	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M-2H+K"	36.948606
"462432"	871.294806	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M-2H+K"	36.948606
"835126"	315.064006	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-2H+K"	36.948606
"1559340"	315.064006	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+K-2H"	36.948606
"945764"	323.113594	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-H+HCOOH"	44.998194
"362886"	601.229001	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+HCOOH-H"	44.998201
"347144"	615.244651	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+Hac-H"	59.013851
"1502541"	337.129251	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Hac-H"	59.013851
"961333"	345.095551	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-H+NaCOOH"	66.980151
"111331"	313.084802	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+2Cl"	69.938804
"552712"	452.142502	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+2Cl"	69.938804
"1033550"	174.027102	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2Cl"	69.938804
"1249116"	357.034285	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Br"	78.918885
"1314848"	359.090272	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Cl+HCOOH"	80.974872
"1330157"	381.072229	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Cl+NaCOOH"	102.956829
"921214"	391.100986	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M-H+CF3COOH"	112.985586
"1295735"	427.077664	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Cl+CF3COOH"	148.962264
"1376082"	243.102724	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H-2H2O"	-35.012676
"1384834"	261.1127	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H-H2O"	-17.0027
"292179"	557.238076	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+H"	1.007276
"681320"	835.353476	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+H"	1.007276
"1359858"	279.122676	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H"	1.007276
"130558"	279.122676	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+2H"	2.014552
"572305"	418.180376	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+2H"	2.014552
"1041104"	140.064976	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2H"	2.014552
"206815"	186.417542666667	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+3H"	3.021828
"647101"	279.122676	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+3H"	3.021828
"1166684"	93.7124093333334	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+3H"	3.021828
"424971"	574.264623	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+NH4"	18.033823
"787304"	852.380023	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+NH4"	18.033823
"1686192"	296.149223	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+NH4"	18.033823
"334469"	287.6359495	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+H+NH4"	19.041099
"724822"	426.6936495	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+H+NH4"	19.041099
"1477462"	148.5782495	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H+NH4"	19.041099
"399756"	579.220018	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+Na"	22.989218
"758928"	857.335418	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+Na"	22.989218
"1610685"	301.104618	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Na"	22.989218
"322907"	290.113647	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+H+Na"	23.996494
"713140"	429.171347	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+H+Na"	23.996494
"1466963"	151.055947	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H+Na"	23.996494
"1065677"	101.039723333333	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2H+Na"	25.00377
"1269544"	311.148886	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+CH3OH+H"	33.033486
"391038"	595.193958	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+K"	38.963158
"752034"	873.309358	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+K"	38.963158
"1553723"	317.078558	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+K"	38.963158
"312847"	298.100617	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+H+K"	39.970434
"706242"	437.158317	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+H+K"	39.970434
"1460427"	159.042917	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H+K"	39.970434
"248664"	598.264626	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+ACN+H"	42.033826
"1224781"	320.149226	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+ACN+H"	42.033826
"1207443"	160.578251	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+ACN+2H"	43.041102
"203231"	601.20196	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+2Na-H"	44.97116
"642060"	879.31736	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+2Na-H"	44.97116
"1141189"	323.08656	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2Na-H"	44.97116
"179014"	301.104618	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+2Na"	45.978436
"616386"	440.162318	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+2Na"	45.978436
"1120984"	162.046918	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2Na"	45.978436
"1412168"	108.367037333333	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H+2Na"	46.985712
"1439908"	325.128146	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H+HCOOH"	47.012746
"227418"	306.13764	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+3H2O+2H"	56.04448
"1520589"	339.18019	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+IsoProp+H"	61.06479
"416262"	309.091588	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+Na+K"	61.952376
"783460"	448.149288	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+Na+K"	61.952376
"1678699"	170.033888	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Na+K"	61.952376
"261571"	620.246568	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+ACN+Na"	64.015768
"1235008"	342.131168	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+ACN+Na"	64.015768
"1722072"	342.154693	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+NH4+HCOOH"	64.039293
"1190345"	115.694351333333	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+3Na"	68.967654
"1659145"	347.110088	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Na+HCOOH"	68.994688
"166008"	633.14984	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+2K-H"	76.91904
"611041"	911.26524	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+2K-H"	76.91904
"1097738"	355.03444	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2K-H"	76.91904
"156875"	317.078558	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"2M+2K"	77.926316
"586466"	456.136258	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"3M+2K"	77.926316
"1075349"	178.020858	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2K"	77.926316
"1104183"	357.048992	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2K+H"	78.933592
"1340569"	357.136607	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+DMSO+H"	79.021207
"1013475"	361.175776	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2ACN+H"	83.060376
"1534881"	362.169408	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+IsoProp+Na+H"	84.054008
"998048"	181.091526	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+2ACN+2H"	84.067652
"1596929"	363.084028	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+K+HCOOH"	84.968628
"1420403"	393.115538	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+H+CF3COOH"	115.000138
"1159440"	201.604801	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+3ACN+2H"	125.094202
"1707899"	410.142085	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+NH4+CF3COOH"	132.026685
"1647923"	415.09748	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+Na+CF3COOH"	136.98208
"1586852"	431.07142	"C09379"	"Coriamyrtin"	"C15H18O5"	"278.1154"	"M+K+CF3COOH"	152.95602
"807375"	341.1263	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M"	0
"979812"	322.10791	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-H2O-H"	-19.01839
"66230"	226.410257333333	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M-3H"	-3.021828
"518469"	340.119024	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M-3H"	-3.021828
"894542"	112.701490666667	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-3H"	-3.021828
"14932"	340.119024	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M-2H"	-2.014552
"450119"	510.682174	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M-2H"	-2.014552
"830109"	169.555874	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-2H"	-2.014552
"94160"	681.245324	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M-H"	-1.007276
"533881"	1022.371624	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M-H"	-1.007276
"911115"	340.119024	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-H"	-1.007276
"60744"	698.271871	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M-2H+NH4"	16.019271
"501155"	1039.398171	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M-2H+NH4"	16.019271
"879329"	357.145571	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-2H+NH4"	16.019271
"40539"	703.227266	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M-2H+Na"	20.974666
"481192"	1044.353566	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M-2H+Na"	20.974666
"854617"	362.100966	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-2H+Na"	20.974666
"1623057"	362.100966	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Na-2H"	20.974666
"98133"	358.107363	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M-H+Cl"	33.962126
"539514"	528.670513	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M-H+Cl"	33.962126
"930476"	187.544213	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-H+Cl"	33.962126
"270857"	717.222002	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+Cl"	34.969402
"671301"	1058.348302	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+Cl"	34.969402
"1279328"	376.095702	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Cl"	34.969402
"20791"	719.201206	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M-2H+K"	36.948606
"462542"	1060.327506	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M-2H+K"	36.948606
"837061"	378.074906	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-2H+K"	36.948606
"1558360"	378.074906	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+K-2H"	36.948606
"945147"	386.124494	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-H+HCOOH"	44.998194
"362270"	727.250801	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+HCOOH-H"	44.998201
"349440"	741.266451	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+Hac-H"	59.013851
"1500464"	400.140151	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Hac-H"	59.013851
"961443"	408.106451	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-H+NaCOOH"	66.980151
"111442"	376.095702	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+2Cl"	69.938804
"550876"	546.658852	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+2Cl"	69.938804
"1022226"	205.532552	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2Cl"	69.938804
"1249226"	420.045185	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Br"	78.918885
"1314957"	422.101172	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Cl+HCOOH"	80.974872
"1330267"	444.083129	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Cl+NaCOOH"	102.956829
"924239"	454.111886	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M-H+CF3COOH"	112.985586
"1296938"	490.088564	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Cl+CF3COOH"	148.962264
"1379473"	306.113624	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H-2H2O"	-35.012676
"1387126"	324.1236	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H-H2O"	-17.0027
"284988"	683.259876	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+H"	1.007276
"681424"	1024.386176	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+H"	1.007276
"1354855"	342.133576	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H"	1.007276
"130668"	342.133576	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+2H"	2.014552
"574966"	512.696726	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+2H"	2.014552
"1041578"	171.570426	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2H"	2.014552
"209476"	228.424809333333	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+3H"	3.021828
"647939"	342.133576	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+3H"	3.021828
"1164241"	114.716042666667	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+3H"	3.021828
"424548"	700.286423	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+NH4"	18.033823
"786686"	1041.412723	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+NH4"	18.033823
"1684112"	359.160123	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+NH4"	18.033823
"333485"	350.6468495	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+H+NH4"	19.041099
"724812"	521.2099995	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+H+NH4"	19.041099
"1477029"	180.0836995	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H+NH4"	19.041099
"398772"	705.241818	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+Na"	22.989218
"758674"	1046.368118	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+Na"	22.989218
"1604219"	364.115518	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Na"	22.989218
"319725"	353.124547	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+H+Na"	23.996494
"714334"	523.687697	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+H+Na"	23.996494
"1468166"	182.561397	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H+Na"	23.996494
"1065787"	122.043356666667	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2H+Na"	25.00377
"1271114"	374.159786	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+CH3OH+H"	33.033486
"391148"	721.215758	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+K"	38.963158
"752508"	1062.342058	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+K"	38.963158
"1553101"	380.089458	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+K"	38.963158
"313562"	361.111517	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+H+K"	39.970434
"706600"	531.674667	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+H+K"	39.970434
"1461196"	190.548367	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H+K"	39.970434
"251336"	724.286426	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+ACN+H"	42.033826
"1225612"	383.160126	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+ACN+H"	42.033826
"1209897"	192.083701	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+ACN+2H"	43.041102
"203348"	727.22376	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+2Na-H"	44.97116
"644176"	1068.35006	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+2Na-H"	44.97116
"1144579"	386.09746	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2Na-H"	44.97116
"183498"	364.115518	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+2Na"	45.978436
"619777"	534.678668	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+2Na"	45.978436
"1121094"	193.552368	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2Na"	45.978436
"1413947"	129.370670666667	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H+2Na"	46.985712
"1445042"	388.139046	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H+HCOOH"	47.012746
"230808"	369.14854	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+3H2O+2H"	56.04448
"1522156"	402.19109	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+IsoProp+H"	61.06479
"422204"	372.102488	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+Na+K"	61.952376
"782477"	542.665638	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+Na+K"	61.952376
"1678080"	201.539338	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Na+K"	61.952376
"263140"	746.268368	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+ACN+Na"	64.015768
"1236212"	405.142068	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+ACN+Na"	64.015768
"1724370"	405.165593	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+NH4+HCOOH"	64.039293
"1190093"	136.697984666667	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+3Na"	68.967654
"1661806"	410.120988	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Na+HCOOH"	68.994688
"165025"	759.17164	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+2K-H"	76.91904
"610058"	1100.29794	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+2K-H"	76.91904
"1096755"	418.04534	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2K-H"	76.91904
"156010"	380.089458	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"2M+2K"	77.926316
"585846"	550.652608	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"3M+2K"	77.926316
"1073272"	209.526308	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2K"	77.926316
"1108668"	420.059892	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2K+H"	78.933592
"1341774"	420.147507	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+DMSO+H"	79.021207
"1012492"	424.186676	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2ACN+H"	83.060376
"1533895"	425.180308	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+IsoProp+Na+H"	84.054008
"998158"	212.596976	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+2ACN+2H"	84.067652
"1598132"	426.094928	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+K+HCOOH"	84.968628
"1420513"	456.126438	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+H+CF3COOH"	115.000138
"1161737"	233.110251	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+3ACN+2H"	125.094202
"1711289"	473.152985	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+NH4+CF3COOH"	132.026685
"1648033"	478.10838	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+Na+CF3COOH"	136.98208
"1586962"	494.08232	"C09380"	"Cassythine;Cassyfiline"	"C19H19NO5"	"341.1263"	"M+K+CF3COOH"	152.95602
"807485"	264.1362	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M"	0
"976641"	245.11781	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"65976"	175.083524	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"517088"	263.128924	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"895613"	87.038124	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"13949"	263.128924	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"450229"	395.197024	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"830218"	131.060824	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"89116"	527.265124	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"531957"	791.401324	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"911058"	263.128924	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"56481"	544.291671	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"498227"	808.427871	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"878216"	280.155471	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"40649"	549.247066	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"481302"	813.383266	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"852906"	285.110866	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1624261"	285.110866	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"97149"	281.117263	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"539260"	413.185363	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"933865"	149.049163	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"272059"	563.241802	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"669224"	827.378002	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1277251"	299.105602	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"20901"	565.221006	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"461559"	829.357206	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"837171"	301.084806	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1558470"	301.084806	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"946351"	309.134394	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"363838"	573.270601	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"347364"	587.286251	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1500574"	323.150051	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"960460"	331.116351	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"111916"	299.105602	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"552565"	431.173702	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1021564"	167.037502	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1249336"	343.055085	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1316160"	345.111072	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1330377"	367.093029	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"924713"	377.121786	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1297048"	413.098464	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1379583"	229.123524	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1388329"	247.1335	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"285827"	529.279676	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"678254"	793.415876	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1355694"	265.143476	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"131142"	265.143476	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"574712"	397.211576	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1042052"	133.075376	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"209586"	177.098076	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"647320"	265.143476	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1166902"	89.052676	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"424415"	546.306223	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"785814"	810.442423	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1684586"	282.170023	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"329998"	273.6567495	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"724558"	405.7248495	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1477268"	141.5886495	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"394142"	551.261618	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"759148"	815.397818	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1602947"	287.125418	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"315094"	276.134447	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"712257"	408.202547	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1467182"	144.066347	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1060429"	96.37999	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1270859"	297.169686	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"387245"	567.235558	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"744961"	831.371758	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1550294"	303.099358	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"312942"	284.121417	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"702080"	416.189517	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1461222"	152.053317	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"250952"	570.306226	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1224998"	306.170026	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1209851"	153.588651	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"203085"	573.24356	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"643620"	837.37976	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1144689"	309.10736	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"180328"	287.125418	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"619887"	419.193518	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1120111"	155.057318	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1411292"	103.707304	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1439033"	311.148946	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"228730"	292.15844	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1516793"	325.20099	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"421949"	295.112388	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"776386"	427.180488	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1673808"	163.044288	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"262514"	592.288168	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1235222"	328.151968	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1721924"	328.175493	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1190563"	111.034618	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1661550"	333.130888	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"167321"	605.19144	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"606883"	869.32764	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1092125"	341.05524	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"149307"	303.099358	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"594340"	435.167458	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1083228"	171.031258	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1102946"	343.069792	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1339697"	343.157407	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1009322"	347.196576	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1529631"	348.190208	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"992071"	174.101926	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1591680"	349.104828	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1419529"	379.136338	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1156380"	194.615201	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1704838"	396.162885	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1645955"	401.11828	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1577231"	417.09222	"C09381"	"Coronopilin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"810875"	232.1463	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M"	0
"976751"	213.12791	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"66086"	153.756924	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"517318"	231.139024	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"893304"	76.374824	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"12966"	231.139024	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"449246"	347.212174	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"830328"	115.065874	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"89226"	463.285324	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"532067"	695.431624	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"909870"	231.139024	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"54405"	480.311871	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"500892"	712.458171	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"876140"	248.165571	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"40760"	485.267266	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"481412"	717.413566	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"853016"	253.120966	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1622548"	253.120966	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"98718"	249.127363	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"538278"	365.200513	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"930332"	133.054213	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"272536"	499.262002	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"671521"	731.408302	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1281735"	267.115702	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"19918"	501.241206	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"462762"	733.387506	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"837281"	269.094906	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1556758"	269.094906	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"943017"	277.144494	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"362166"	509.290801	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"348567"	523.306451	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1500684"	291.160151	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"961663"	299.126451	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"112755"	267.115702	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"551219"	383.188852	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1021716"	151.042552	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1246162"	311.065185	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1318823"	313.121172	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1334740"	335.103129	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"923729"	345.131886	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1297158"	381.108564	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1380423"	197.133624	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1388441"	215.1436	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"285940"	465.299876	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"679457"	697.446176	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1355804"	233.153576	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"133075"	233.153576	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"574822"	349.226726	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1042527"	117.080426	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"210426"	155.771476	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"648890"	233.153576	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1165919"	78.389376	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"424606"	482.326423	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"786418"	714.472723	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1682508"	250.180123	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"330416"	241.6668495	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"722890"	357.7399995	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1477627"	125.5936995	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"394373"	487.281818	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"760351"	719.428118	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1603261"	255.135518	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"314834"	244.144547	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"709450"	360.217697	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1466199"	128.071397	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1059446"	85.71669	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1268783"	265.179786	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"386263"	503.255758	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"745071"	735.402058	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1550404"	271.109458	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"313052"	252.131517	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"701097"	368.204667	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1458928"	136.058367	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"246800"	506.326426	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1223888"	274.180126	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1209808"	137.593701	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"203885"	509.26376	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"643247"	741.41006	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1144678"	277.11746	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"180438"	255.135518	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"622184"	371.208668	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1124597"	139.062368	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1411402"	93.044004	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1441329"	279.159046	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"231026"	260.16854	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1519089"	293.21109	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"422061"	263.122488	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"777589"	379.195638	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1673918"	147.049338	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"262624"	528.308368	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1237158"	296.162068	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1720941"	296.185593	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1187393"	100.371318	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1660566"	301.140988	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"168522"	541.21164	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"606993"	773.35794	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1091505"	309.06534	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"149417"	271.109458	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"593353"	387.182608	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1082244"	155.036308	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1109984"	311.079892	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1340171"	311.167507	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1011619"	315.206676	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1531930"	316.200308	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"992911"	158.106976	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1592884"	317.114928	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1419639"	347.146438	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1154303"	178.620251	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1704948"	364.172985	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1642785"	369.12838	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1577341"	385.10232	"C09382"	"Costunolide;()-Costunolide"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"807705"	232.1463	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M"	0
"977224"	213.12791	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"66196"	153.756924	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"517671"	231.139024	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"893658"	76.374824	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"14657"	231.139024	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"449356"	347.212174	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"830438"	115.065874	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"89336"	463.285324	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"532177"	695.431624	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"906701"	231.139024	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"56702"	480.311871	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"498449"	712.458171	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"876251"	248.165571	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"44150"	485.267266	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"481522"	717.413566	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"853126"	253.120966	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1622658"	253.120966	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"99922"	249.127363	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"539481"	365.200513	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"930806"	133.054213	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"271185"	499.262002	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"662153"	731.408302	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1275648"	267.115702	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"17231"	501.241206	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"462872"	733.387506	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"835204"	269.094906	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1557232"	269.094906	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"944018"	277.144494	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"362236"	509.290801	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"346611"	523.306451	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1497514"	291.160151	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"962137"	299.126451	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"112865"	267.115702	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"550963"	383.188852	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1021588"	151.042552	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1246272"	311.065185	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1317474"	313.121172	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1334122"	335.103129	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"920559"	345.131886	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1299456"	381.108564	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1375428"	197.133624	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1385271"	215.1436	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"283863"	465.299876	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"677380"	697.446176	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1357007"	233.153576	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"133185"	233.153576	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"574932"	349.226726	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1042272"	117.080426	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"211264"	155.771476	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"650093"	233.153576	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1164571"	78.389376	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"425043"	482.326423	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"786160"	714.472723	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1682254"	250.180123	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"330646"	241.6668495	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"722948"	357.7399995	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1477048"	125.5936995	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"394726"	487.281818	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"759733"	719.428118	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1604182"	255.135518	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"316037"	244.144547	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"711383"	360.217697	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1468495"	128.071397	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1059556"	85.71669	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1265611"	265.179786	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"381999"	503.255758	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"740808"	735.402058	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1543954"	271.109458	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"311707"	252.131517	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"701207"	368.204667	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1457945"	136.058367	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"243630"	506.326426	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1224363"	274.180126	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1207885"	137.593701	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"201484"	509.26376	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"642748"	741.41006	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1144909"	277.11746	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"178361"	255.135518	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"622294"	371.208668	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1124707"	139.062368	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1411512"	93.044004	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1438160"	279.159046	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"228950"	260.16854	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1517010"	293.21109	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"415606"	263.122488	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"776606"	379.195638	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1674028"	147.049338	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"257267"	528.308368	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1235442"	296.162068	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1721051"	296.185593	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1188594"	100.371318	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1659583"	301.140988	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"164256"	541.21164	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"606010"	773.35794	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1091615"	309.06534	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"149527"	271.109458	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"592369"	387.182608	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1082354"	155.036308	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1111188"	311.079892	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1341011"	311.167507	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1013915"	315.206676	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1533133"	316.200308	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"997395"	158.106976	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1592994"	317.114928	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1420841"	347.146438	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1153320"	178.620251	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1701778"	364.172985	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1642895"	369.12838	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1577451"	385.10232	"C09383"	"alpha-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"807815"	232.1463	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M"	0
"978064"	213.12791	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"66306"	153.756924	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"515716"	231.139024	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"893889"	76.374824	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"14279"	231.139024	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"443997"	347.212174	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"818272"	115.065874	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"83976"	463.285324	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"531194"	695.431624	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"906811"	231.139024	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"56812"	480.311871	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"500745"	712.458171	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"875268"	248.165571	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"40980"	485.267266	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"478716"	717.413566	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"853965"	253.120966	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1621675"	253.120966	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"99302"	249.127363	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"538132"	365.200513	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"930552"	133.054213	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"270931"	499.262002	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"666271"	731.408302	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1274663"	267.115702	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"16855"	501.241206	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"456538"	733.387506	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"835314"	269.094906	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1557342"	269.094906	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"944855"	277.144494	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"362103"	509.290801	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"347694"	523.306451	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1497624"	291.160151	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"962976"	299.126451	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"114068"	267.115702	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"551561"	383.188852	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1021422"	151.042552	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1246382"	311.065185	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1318313"	313.121172	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1334352"	335.103129	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"918481"	345.131886	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1295189"	381.108564	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1371165"	197.133624	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1385381"	215.1436	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"286159"	465.299876	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"678584"	697.446176	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1356024"	233.153576	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"134388"	233.153576	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"575042"	349.226726	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1041289"	117.080426	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"210282"	155.771476	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"646559"	233.153576	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1164317"	78.389376	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"424788"	482.326423	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"785908"	714.472723	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1682361"	250.180123	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"330634"	241.6668495	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"723665"	357.7399995	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1477726"	125.5936995	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"394103"	487.281818	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"762030"	719.428118	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1605748"	255.135518	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"316513"	244.144547	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"709301"	360.217697	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1470791"	128.071397	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1061853"	85.71669	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1265721"	265.179786	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"380286"	503.255758	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"741282"	735.402058	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1544428"	271.109458	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"311815"	252.131517	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"701317"	368.204667	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1458419"	136.058367	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"245926"	506.326426	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1221917"	274.180126	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1205806"	137.593701	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"202202"	509.26376	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"643100"	741.41006	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1146118"	277.11746	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"180658"	255.135518	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"621310"	371.208668	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1122629"	139.062368	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1411622"	93.044004	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1438270"	279.159046	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"229060"	260.16854	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1517121"	293.21109	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"415716"	263.122488	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"777809"	379.195638	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1670128"	147.049338	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"257377"	528.308368	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1234458"	296.162068	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1722254"	296.185593	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1186517"	100.371318	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1658599"	301.140988	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"161087"	541.21164	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"605750"	773.35794	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1090631"	309.06534	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"148544"	271.109458	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"592479"	387.182608	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1080277"	155.036308	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1110204"	311.079892	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1342214"	311.167507	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1012933"	315.206676	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1532150"	316.200308	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"998599"	158.106976	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1594197"	317.114928	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1420952"	347.146438	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1154523"	178.620251	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1701888"	364.172985	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1643005"	369.12838	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1577561"	385.10232	"C09384"	"beta-Cyclocostunolide"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"807925"	346.1416	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M"	0
"978175"	327.12321	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"70790"	229.753790666667	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"515826"	345.134324	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"895500"	114.373257333333	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"13296"	345.134324	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"446294"	518.205124	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"823002"	172.063524	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"87369"	691.275924	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"529117"	1037.417524	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"909107"	345.134324	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"59111"	708.302471	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"497578"	1054.444071	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"876837"	362.160871	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"41090"	713.257866	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"473843"	1059.399466	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"853345"	367.116266	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1622878"	367.116266	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"101240"	363.122663	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"541892"	536.193463	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"937591"	190.051863	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"275052"	727.252602	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"667475"	1073.394202	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1276233"	381.111002	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"21343"	729.231806	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"456890"	1075.373406	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"835424"	383.090206	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1556723"	383.090206	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"944116"	391.139794	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"362822"	737.281401	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"350357"	751.297051	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1496636"	405.155451	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"967461"	413.121751	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"113085"	381.111002	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"551793"	554.181802	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1025818"	208.040202	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1247585"	425.060485	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1319396"	427.116472	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1334826"	449.098429	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"915312"	459.127186	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1293112"	495.103864	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1370180"	311.128924	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1383416"	329.1389	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"284201"	693.290476	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"676620"	1039.432076	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1356498"	347.148876	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"135592"	347.148876	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"571873"	520.219676	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1041763"	174.078076	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"208935"	231.768342666667	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"645577"	347.148876	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1164791"	116.387809333333	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"425267"	710.317023	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"786058"	1056.458623	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1681983"	364.175423	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"330503"	355.6621495	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"723086"	528.7329495	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1477060"	182.5913495	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"395308"	715.272418	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"757766"	1061.414018	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1605496"	369.130818	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"315168"	358.139847	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"709412"	531.210647	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1467622"	185.069047	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1061963"	123.715123333333	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1265831"	379.175086	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"381126"	731.246358	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"741392"	1077.387958	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1542716"	385.104758	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"309006"	366.126817	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"700334"	539.197617	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1458529"	193.056017	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"246036"	734.317026	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1222027"	388.175426	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1208102"	194.591351	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"203162"	737.25436	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"643325"	1083.39596	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1146837"	391.11276	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"179671"	369.130818	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"620327"	542.201618	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1121647"	196.060018	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1411732"	131.042437333333	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1438380"	393.154346	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"230266"	374.16384	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1519420"	407.20639	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"416919"	377.117788	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"781198"	550.188588	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1673155"	204.046988	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"258581"	756.298968	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1232015"	410.157368	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1722357"	410.180893	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1187721"	138.369751333333	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1658709"	415.136288	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"163383"	769.20224	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"606224"	1115.34384	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1090740"	423.06064	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"155215"	385.104758	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"592589"	558.175558	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1084197"	212.033958	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1109220"	425.075192	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1346696"	425.162807	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1017416"	429.201976	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1532260"	430.195608	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"999803"	215.104626	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1595401"	431.110228	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1422156"	461.141738	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1156818"	235.617901	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1710746"	478.168285	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1645302"	483.12368	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1577671"	499.09762	"C09385"	"Cynaropicrin"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"814596"	248.1412	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M"	0
"984847"	229.12281	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"70902"	164.420190666667	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"514842"	247.133924	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"893740"	81.7064573333333	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"13406"	247.133924	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"443124"	371.204524	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"824206"	123.063324	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"89665"	495.275124	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"532507"	743.416324	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"908123"	247.133924	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"58126"	512.301671	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"495498"	760.442871	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"875486"	264.160471	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"40107"	517.257066	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"473346"	765.398266	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"853092"	269.115866	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1624082"	269.115866	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"102443"	265.122263	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"543093"	389.192863	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"939887"	141.051663	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"275162"	531.251802	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"667584"	779.393002	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1279988"	283.110602	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"22546"	533.231006	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"458095"	781.372206	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"833828"	285.089806	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1557562"	285.089806	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"943986"	293.139394	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"364025"	541.280601	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"348280"	555.296251	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1496746"	307.155051	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"966478"	315.121351	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"114289"	283.110602	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"552755"	407.181202	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1025928"	159.040002	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1244415"	327.060085	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1317805"	329.116072	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1335299"	351.098029	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"918702"	361.126786	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1293223"	397.103464	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1374664"	213.128524	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1385598"	231.1385	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"287470"	497.289676	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"677704"	745.430876	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1357339"	249.148476	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"140074"	249.148476	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"569426"	373.219076	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1042602"	125.077876	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"210868"	166.434742666667	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"649331"	249.148476	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1167453"	83.7210093333333	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"431816"	514.316223	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"790625"	762.457423	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1683674"	266.175023	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"333411"	257.6617495	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"727292"	381.7323495	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1478559"	133.5911495	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"397240"	519.271618	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"758969"	767.412818	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1607427"	271.130418	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"320380"	260.139447	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"713166"	384.210047	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1473198"	136.068847	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1063166"	91.0483233333333	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1266670"	281.174686	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"381236"	535.245558	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"740773"	783.386758	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1544284"	287.104358	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"309116"	268.126417	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"701537"	392.197017	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1458639"	144.055817	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"242866"	538.316226	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1218857"	290.175026	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1209063"	145.591151	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"203027"	541.25356	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"641733"	789.39476	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1144145"	293.11236	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"180875"	271.130418	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"620072"	395.201018	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1122121"	147.059818	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1411842"	98.3756373333333	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1437397"	295.153946	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"234996"	276.16344	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1521719"	309.20599	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"421407"	279.117388	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"775110"	403.187988	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1672172"	155.046788	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"260878"	560.298168	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1233585"	312.156968	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1721374"	312.180493	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1185644"	105.702951333333	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1657725"	317.135888	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"163493"	573.20144	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"607427"	821.34264	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1094130"	325.06024	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"156178"	287.104358	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"593792"	411.174958	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1078307"	163.033758	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1107143"	327.074792	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1348993"	327.162407	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1012058"	331.201576	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1531277"	332.195208	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"994445"	166.104426	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1592229"	333.109828	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1418983"	363.141338	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1158021"	186.617701	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1705388"	380.167885	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1646505"	385.12328	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1581061"	401.09722	"C09386"	"Damsin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"808145"	230.1307	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M"	0
"978397"	211.11231	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"66637"	152.413190666667	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"512766"	229.123424	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"892757"	75.7029573333333	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"12423"	229.123424	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"443234"	344.188774	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"824316"	114.058074	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"86496"	459.254124	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"530431"	689.384824	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"907140"	229.123424	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"56050"	476.280671	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"494515"	706.411371	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"875596"	246.149971	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"35477"	481.236066	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"474671"	711.366766	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"856482"	251.105366	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1623828"	251.105366	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"104739"	247.111763	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"542110"	362.177113	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"934530"	132.046413	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"271992"	495.230802	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"667694"	725.361502	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1277912"	265.100102	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"22656"	497.210006	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"457112"	727.340706	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"833820"	267.079306	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1556215"	267.079306	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"942849"	275.128894	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"363043"	505.259601	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"349119"	519.275251	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1496856"	289.144551	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"967681"	297.110851	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"111604"	265.100102	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"552865"	380.165452	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1027132"	150.034752	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1243432"	309.049585	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1316821"	311.105572	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1333223"	333.087529	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"915532"	343.116286	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1293333"	379.092964	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1369308"	195.118024	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1383522"	213.128	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"288673"	461.268676	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"684373"	691.399376	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1354533"	231.137976	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"136904"	231.137976	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"568808"	346.203326	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1040157"	116.072626	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"206353"	154.427742666667	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"646526"	231.137976	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1164648"	77.7175093333333	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"428647"	478.295223	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"787456"	708.425923	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1685972"	248.164523	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"334253"	239.6512495	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"727037"	354.7165995	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1478179"	124.5858995	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"395164"	483.250618	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"757986"	713.381318	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1604257"	253.119918	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"319395"	242.128947	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"710725"	357.194297	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1471122"	127.063597	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1062183"	85.0448233333333	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1264959"	263.164186	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"382440"	499.224558	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"743435"	729.355258	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1543301"	269.093858	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"308133"	250.115917	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"700554"	365.181267	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1458749"	135.050567	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"242976"	502.295226	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1221883"	272.164526	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1208322"	136.585901	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"201193"	505.23256	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"643302"	735.36326	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1144255"	275.10186	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"180985"	253.119918	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"618725"	368.185268	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1121867"	138.054568	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1411952"	92.3721373333333	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1437507"	277.143446	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"232674"	258.15294	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1518549"	291.19549	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"420424"	261.106888	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"775949"	376.172238	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1672282"	146.041538	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"260988"	524.277168	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1233695"	294.146468	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1719298"	294.169993	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1181379"	99.6994513333333	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1654553"	299.125388	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"161411"	537.18044	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"602069"	767.31114	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1096426"	307.04974	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"156167"	269.093858	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"594997"	384.159208	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1076231"	154.028508	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1106160"	309.064292	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1344730"	309.151907	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1016542"	313.191076	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1530294"	314.184708	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"997835"	157.099176	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1595620"	315.099328	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1418000"	345.130838	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1154851"	177.612451	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1708778"	362.157385	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1646615"	367.11278	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1581171"	383.08672	"C09387"	"Dehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"808255"	344.126	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M"	0
"978507"	325.10761	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-H2O-H"	-19.01839
"66747"	228.410057333333	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M-3H"	-3.021828
"513968"	343.118724	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M-3H"	-3.021828
"891773"	113.701390666667	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-3H"	-3.021828
"10346"	343.118724	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M-2H"	-2.014552
"443344"	515.181724	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M-2H"	-2.014552
"820051"	171.055724	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-2H"	-2.014552
"86605"	687.244724	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M-H"	-1.007276
"528354"	1031.370724	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M-H"	-1.007276
"907250"	343.118724	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-H"	-1.007276
"57252"	704.271271	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M-2H+NH4"	16.019271
"495718"	1048.397271	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M-2H+NH4"	16.019271
"874613"	360.145271	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-2H+NH4"	16.019271
"35587"	709.226666	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M-2H+Na"	20.974666
"473323"	1053.352666	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M-2H+Na"	20.974666
"856592"	365.100666	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-2H+Na"	20.974666
"1623938"	365.100666	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Na-2H"	20.974666
"103756"	361.107063	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M-H+Cl"	33.962126
"541127"	533.170063	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M-H+Cl"	33.962126
"933547"	189.044063	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-H+Cl"	33.962126
"269915"	723.221402	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+Cl"	34.969402
"664523"	1067.347402	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+Cl"	34.969402
"1276928"	379.095402	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Cl"	34.969402
"16689"	725.200606	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M-2H+K"	36.948606
"456732"	1069.326606	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M-2H+K"	36.948606
"833929"	381.074606	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-2H+K"	36.948606
"1556683"	381.074606	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+K-2H"	36.948606
"943233"	389.124194	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-H+HCOOH"	44.998194
"363516"	733.250201	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+HCOOH-H"	44.998201
"349229"	747.265851	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+Hac-H"	59.013851
"1496966"	403.139851	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Hac-H"	59.013851
"961225"	411.106151	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-H+NaCOOH"	66.980151
"111593"	379.095402	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+2Cl"	69.938804
"552975"	551.158402	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+2Cl"	69.938804
"1028335"	207.032402	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2Cl"	69.938804
"1244635"	423.044885	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Br"	78.918885
"1314745"	425.100872	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Cl+HCOOH"	80.974872
"1330053"	447.082829	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Cl+NaCOOH"	102.956829
"915642"	457.111586	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M-H+CF3COOH"	112.985586
"1293443"	493.088264	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Cl+CF3COOH"	148.962264
"1367959"	309.113324	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H-2H2O"	-35.012676
"1383630"	327.1233	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H-H2O"	-17.0027
"295344"	689.259276	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+H"	1.007276
"686670"	1033.385276	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+H"	1.007276
"1353186"	345.133276	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H"	1.007276
"135921"	345.133276	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+2H"	2.014552
"570375"	517.196276	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+2H"	2.014552
"1040267"	173.070276	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2H"	2.014552
"206707"	230.424609333333	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+3H"	3.021828
"647724"	345.133276	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+3H"	3.021828
"1165118"	115.715942666667	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+3H"	3.021828
"428757"	706.285823	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+NH4"	18.033823
"791940"	1050.411823	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+NH4"	18.033823
"1686083"	362.159823	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+NH4"	18.033823
"333998"	353.6465495	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+H+NH4"	19.041099
"728240"	525.7095495	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+H+NH4"	19.041099
"1484977"	181.5835495	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H+NH4"	19.041099
"396002"	711.241218	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+Na"	22.989218
"760277"	1055.367218	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+Na"	22.989218
"1606918"	367.115218	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Na"	22.989218
"316953"	356.124247	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+H+Na"	23.996494
"711928"	528.187247	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+H+Na"	23.996494
"1466112"	184.061247	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H+Na"	23.996494
"1058994"	123.043256666667	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2H+Na"	25.00377
"1258493"	377.159486	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+CH3OH+H"	33.033486
"381456"	727.215158	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+K"	38.963158
"745731"	1071.341158	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+K"	38.963158
"1544504"	383.089158	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+K"	38.963158
"308243"	364.111217	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+H+K"	39.970434
"701757"	536.174217	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+H+K"	39.970434
"1458131"	192.048217	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H+K"	39.970434
"243086"	730.285826	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+ACN+H"	42.033826
"1221993"	386.159826	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+ACN+H"	42.033826
"1207825"	193.583551	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+ACN+2H"	43.041102
"200575"	733.22316	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+2Na-H"	44.97116
"643047"	1077.34916	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+2Na-H"	44.97116
"1138897"	389.09716	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2Na-H"	44.97116
"181095"	367.115218	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+2Na"	45.978436
"619564"	539.178218	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+2Na"	45.978436
"1123070"	195.052218	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2Na"	45.978436
"1408054"	130.370570666667	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H+2Na"	46.985712
"1437617"	391.138746	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H+HCOOH"	47.012746
"230963"	372.14824	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+3H2O+2H"	56.04448
"1516107"	405.19079	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+IsoProp+H"	61.06479
"416159"	375.102188	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+Na+K"	61.952376
"774966"	547.165188	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+Na+K"	61.952376
"1672392"	203.039188	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Na+K"	61.952376
"258911"	752.267768	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+ACN+Na"	64.015768
"1234534"	408.141768	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+ACN+Na"	64.015768
"1720501"	408.165293	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+NH4+HCOOH"	64.039293
"1182581"	137.697884666667	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+3Na"	68.967654
"1654663"	413.120688	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Na+HCOOH"	68.994688
"162613"	765.17104	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+2K-H"	76.91904
"598899"	1109.29704	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+2K-H"	76.91904
"1097629"	421.04504	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2K-H"	76.91904
"155426"	383.089158	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"2M+2K"	77.926316
"592919"	555.152158	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"3M+2K"	77.926316
"1081808"	211.026158	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2K"	77.926316
"1109550"	423.059592	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2K+H"	78.933592
"1350796"	423.147207	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+DMSO+H"	79.021207
"1016652"	427.186376	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2ACN+H"	83.060376
"1530404"	428.180008	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+IsoProp+Na+H"	84.054008
"1000133"	214.096826	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+2ACN+2H"	84.067652
"1596824"	429.094628	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+K+HCOOH"	84.968628
"1419205"	459.126138	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+H+CF3COOH"	115.000138
"1152774"	234.610101	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+3ACN+2H"	125.094202
"1708888"	476.152685	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+NH4+CF3COOH"	132.026685
"1646725"	481.10808	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+Na+CF3COOH"	136.98208
"1581281"	497.08202	"C09388"	"Deoxyelephantopin"	"C19H20O6"	"344.126"	"M+K+CF3COOH"	152.95602
"808365"	325.1314	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M"	0
"978617"	306.11301	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-H2O-H"	-19.01839
"67950"	215.746990666667	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M-3H"	-3.021828
"512985"	324.124124	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M-3H"	-3.021828
"889697"	107.369857333333	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-3H"	-3.021828
"10456"	324.124124	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M-2H"	-2.014552
"443454"	486.689824	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M-2H"	-2.014552
"821255"	161.558424	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-2H"	-2.014552
"86715"	649.255524	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M-H"	-1.007276
"530652"	974.386924	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M-H"	-1.007276
"907360"	324.124124	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-H"	-1.007276
"57362"	666.282071	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M-2H+NH4"	16.019271
"498015"	991.413471	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M-2H+NH4"	16.019271
"873629"	341.150671	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-2H+NH4"	16.019271
"34603"	671.237466	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M-2H+Na"	20.974666
"473069"	996.368866	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M-2H+Na"	20.974666
"853057"	346.106066	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-2H+Na"	20.974666
"1624048"	346.106066	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Na-2H"	20.974666
"103867"	342.112463	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M-H+Cl"	33.962126
"544517"	504.678163	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M-H+Cl"	33.962126
"932564"	179.546763	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-H+Cl"	33.962126
"272212"	685.232202	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+Cl"	34.969402
"662447"	1010.363602	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+Cl"	34.969402
"1277040"	360.100802	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Cl"	34.969402
"18502"	687.211406	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M-2H+K"	36.948606
"458060"	1012.342806	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M-2H+K"	36.948606
"833675"	362.080006	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-2H+K"	36.948606
"1557520"	362.080006	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+K-2H"	36.948606
"943263"	370.129594	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-H+HCOOH"	44.998194
"363262"	695.261001	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+HCOOH-H"	44.998201
"347146"	709.276651	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+Hac-H"	59.013851
"1494889"	384.145251	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Hac-H"	59.013851
"959148"	392.111551	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-H+NaCOOH"	66.980151
"112427"	360.100802	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+2Cl"	69.938804
"550894"	522.666502	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+2Cl"	69.938804
"1027352"	197.535102	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2Cl"	69.938804
"1246932"	404.050285	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Br"	78.918885
"1311575"	406.106272	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Cl+HCOOH"	80.974872
"1326881"	428.088229	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Cl+NaCOOH"	102.956829
"912714"	438.116986	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M-H+CF3COOH"	112.985586
"1290758"	474.093664	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Cl+CF3COOH"	148.962264
"1368554"	290.118724	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H-2H2O"	-35.012676
"1384835"	308.1287	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H-H2O"	-17.0027
"293268"	651.270076	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+H"	1.007276
"686781"	976.401476	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+H"	1.007276
"1352809"	326.138676	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H"	1.007276
"131657"	326.138676	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+2H"	2.014552
"567204"	488.704376	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+2H"	2.014552
"1038920"	163.572976	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2H"	2.014552
"206821"	217.761542666667	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+3H"	3.021828
"647104"	326.138676	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+3H"	3.021828
"1165597"	109.384409333333	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+3H"	3.021828
"426681"	668.296623	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+NH4"	18.033823
"791319"	993.428023	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+NH4"	18.033823
"1685464"	343.165223	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+NH4"	18.033823
"337021"	334.6519495	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+H+NH4"	19.041099
"726527"	497.2176495	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+H+NH4"	19.041099
"1485087"	172.0862495	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H+NH4"	19.041099
"396840"	673.252018	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+Na"	22.989218
"757835"	998.383418	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+Na"	22.989218
"1607027"	348.120618	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Na"	22.989218
"318523"	337.129647	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+H+Na"	23.996494
"713494"	499.695347	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+H+Na"	23.996494
"1465128"	174.563947	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H+Na"	23.996494
"1056553"	116.711723333333	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2H+Na"	25.00377
"1257427"	358.164886	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+CH3OH+H"	33.033486
"383753"	689.225958	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+K"	38.963158
"746937"	1014.357358	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+K"	38.963158
"1551906"	364.094558	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+K"	38.963158
"313095"	345.116617	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+H+K"	39.970434
"706246"	507.682317	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+H+K"	39.970434
"1457877"	182.550917	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H+K"	39.970434
"249761"	692.296626	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+ACN+H"	42.033826
"1223810"	367.165226	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+ACN+H"	42.033826
"1207812"	184.086251	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+ACN+2H"	43.041102
"202143"	695.23396	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+2Na-H"	44.97116
"642428"	1020.36536	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+2Na-H"	44.97116
"1139007"	370.10256	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2Na-H"	44.97116
"181205"	348.120618	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+2Na"	45.978436
"619309"	510.686318	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+2Na"	45.978436
"1122087"	185.554918	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2Na"	45.978436
"1402326"	124.039037333333	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H+2Na"	46.985712
"1437727"	372.144146	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H+HCOOH"	47.012746
"230708"	353.15364	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+3H2O+2H"	56.04448
"1516583"	386.19619	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+IsoProp+H"	61.06479
"418092"	356.107588	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+Na+K"	61.952376
"778725"	518.673288	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+Na+K"	61.952376
"1674690"	193.541888	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Na+K"	61.952376
"263034"	714.278568	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+ACN+Na"	64.015768
"1234646"	389.147168	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+ACN+Na"	64.015768
"1719158"	389.170693	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+NH4+HCOOH"	64.039293
"1183786"	131.366351333333	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+3Na"	68.967654
"1654775"	394.126088	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Na+HCOOH"	68.994688
"160542"	727.18184	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+2K-H"	76.91904
"601193"	1052.31324	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+2K-H"	76.91904
"1096646"	402.05044	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2K-H"	76.91904
"156510"	364.094558	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"2M+2K"	77.926316
"590840"	526.660258	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"3M+2K"	77.926316
"1079731"	201.528858	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2K"	77.926316
"1111847"	404.064992	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2K+H"	78.933592
"1342764"	404.152607	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+DMSO+H"	79.021207
"1016763"	408.191776	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2ACN+H"	83.060376
"1532701"	409.185408	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+IsoProp+Na+H"	84.054008
"999148"	204.599526	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+2ACN+2H"	84.067652
"1600214"	410.100028	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+K+HCOOH"	84.968628
"1420409"	440.131538	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+H+CF3COOH"	115.000138
"1152884"	225.112801	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+3ACN+2H"	125.094202
"1705718"	457.158085	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+NH4+CF3COOH"	132.026685
"1646835"	462.11348	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+Na+CF3COOH"	136.98208
"1581391"	478.08742	"C09389"	"()-Cassythicine"	"C19H19NO4"	"325.1314"	"M+K+CF3COOH"	152.95602
"808475"	466.2832	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M"	0
"978724"	447.26481	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-H2O-H"	-19.01839
"65873"	309.848190666667	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M-3H"	-3.021828
"513095"	465.275924	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M-3H"	-3.021828
"889807"	154.420457333333	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-3H"	-3.021828
"9472"	465.275924	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M-2H"	-2.014552
"444657"	698.417524	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M-2H"	-2.014552
"821362"	232.134324	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-2H"	-2.014552
"86821"	931.559124	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M-H"	-1.007276
"528574"	1397.842324	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M-H"	-1.007276
"905282"	465.275924	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-H"	-1.007276
"57472"	948.585671	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M-2H+NH4"	16.019271
"498125"	1414.868871	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M-2H+NH4"	16.019271
"873739"	482.302471	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-2H+NH4"	16.019271
"34347"	953.541066	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M-2H+Na"	20.974666
"473540"	1419.824266	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M-2H+Na"	20.974666
"852803"	487.257866	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-2H+Na"	20.974666
"1620267"	487.257866	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Na-2H"	20.974666
"108349"	483.264263	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M-H+Cl"	33.962126
"544627"	716.405863	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M-H+Cl"	33.962126
"933767"	250.122663	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-H+Cl"	33.962126
"269406"	967.535802	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+Cl"	34.969402
"661097"	1433.819002	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+Cl"	34.969402
"1276056"	501.252602	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Cl"	34.969402
"19705"	969.515006	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M-2H+K"	36.948606
"459264"	1435.798206	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M-2H+K"	36.948606
"834878"	503.231806	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-2H+K"	36.948606
"1557389"	503.231806	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+K-2H"	36.948606
"944062"	511.281394	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-H+HCOOH"	44.998194
"364465"	977.564601	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+HCOOH-H"	44.998201
"347255"	991.580251	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+Hac-H"	59.013851
"1496456"	525.297051	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Hac-H"	59.013851
"961445"	533.263351	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-H+NaCOOH"	66.980151
"112537"	501.252602	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+2Cl"	69.938804
"553192"	734.394202	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+2Cl"	69.938804
"1028555"	268.111002	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2Cl"	69.938804
"1247043"	545.202085	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Br"	78.918885
"1312778"	547.258072	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Cl+HCOOH"	80.974872
"1325898"	569.240029	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Cl+NaCOOH"	102.956829
"913674"	579.268786	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M-H+CF3COOH"	112.985586
"1294023"	615.245464	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Cl+CF3COOH"	148.962264
"1368542"	431.270524	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H-2H2O"	-35.012676
"1390412"	449.2805	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H-H2O"	-17.0027
"294472"	933.573676	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+H"	1.007276
"690051"	1399.856876	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+H"	1.007276
"1351583"	467.290476	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H"	1.007276
"132860"	467.290476	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+2H"	2.014552
"568042"	700.432076	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+2H"	2.014552
"1039756"	234.148876	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2H"	2.014552
"209845"	311.862742666667	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+3H"	3.021828
"647214"	467.290476	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+3H"	3.021828
"1167165"	156.435009333333	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+3H"	3.021828
"428977"	950.600223	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+NH4"	18.033823
"789607"	1416.883423	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+NH4"	18.033823
"1688854"	484.317023	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+NH4"	18.033823
"336038"	475.8037495	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+H+NH4"	19.041099
"727367"	708.9453495	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+H+NH4"	19.041099
"1485198"	242.6621495	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H+NH4"	19.041099
"401690"	955.555618	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+Na"	22.989218
"765968"	1421.838818	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+Na"	22.989218
"1614062"	489.272418	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Na"	22.989218
"326288"	478.281447	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+H+Na"	23.996494
"717614"	711.423047	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+H+Na"	23.996494
"1472529"	245.139847	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H+Na"	23.996494
"1058123"	163.762323333333	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2H+Na"	25.00377
"1257251"	499.316686	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+CH3OH+H"	33.033486
"383858"	971.529558	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+K"	38.963158
"741570"	1437.812758	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+K"	38.963158
"1546180"	505.246358	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+K"	38.963158
"313694"	486.268417	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+H+K"	39.970434
"705626"	719.410017	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+H+K"	39.970434
"1459080"	253.126817	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H+K"	39.970434
"249871"	974.600226	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+ACN+H"	42.033826
"1221489"	508.317026	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+ACN+H"	42.033826
"1207921"	254.662151	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+ACN+2H"	43.041102
"202739"	977.53756	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+2Na-H"	44.97116
"640351"	1443.82076	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+2Na-H"	44.97116
"1139481"	511.25436	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2Na-H"	44.97116
"181315"	489.272418	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+2Na"	45.978436
"619419"	722.414018	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+2Na"	45.978436
"1123290"	256.130818	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2Na"	45.978436
"1403530"	171.089637333333	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H+2Na"	46.985712
"1437837"	513.295946	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H+HCOOH"	47.012746
"227536"	494.30544	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+3H2O+2H"	56.04448
"1517057"	527.34799	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+IsoProp+H"	61.06479
"414556"	497.259388	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+Na+K"	61.952376
"774093"	730.400988	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+Na+K"	61.952376
"1670789"	264.117788	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Na+K"	61.952376
"258039"	996.582168	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+ACN+Na"	64.015768
"1231109"	530.298968	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+ACN+Na"	64.015768
"1718899"	530.322493	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+NH4+HCOOH"	64.039293
"1183894"	178.416951333333	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+3Na"	68.967654
"1657071"	535.277888	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Na+HCOOH"	68.994688
"162837"	1009.48544	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+2K-H"	76.91904
"602396"	1475.76864	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+2K-H"	76.91904
"1085693"	543.20224	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2K-H"	76.91904
"151392"	505.246358	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"2M+2K"	77.926316
"589856"	738.387958	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"3M+2K"	77.926316
"1080935"	272.104758	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2K"	77.926316
"1107584"	545.216792	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2K+H"	78.933592
"1342875"	545.304407	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+DMSO+H"	79.021207
"1017966"	549.343576	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2ACN+H"	83.060376
"1531717"	550.337208	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+IsoProp+Na+H"	84.054008
"1000351"	275.175426	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+2ACN+2H"	84.067652
"1599231"	551.251828	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+K+HCOOH"	84.968628
"1421612"	581.283338	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+H+CF3COOH"	115.000138
"1151901"	295.688701	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+3ACN+2H"	125.094202
"1705828"	598.309885	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+NH4+CF3COOH"	132.026685
"1646945"	603.26528	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+Na+CF3COOH"	136.98208
"1581501"	619.23922	"C09390"	"Cephaeline"	"C28H38N2O4"	"466.2832"	"M+K+CF3COOH"	152.95602
"808585"	606.273	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M"	0
"978835"	587.25461	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-H2O-H"	-19.01839
"67077"	403.174724	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M-3H"	-3.021828
"513205"	605.265724	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M-3H"	-3.021828
"893197"	201.083724	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-3H"	-3.021828
"9582"	605.265724	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M-2H"	-2.014552
"444768"	908.402224	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M-2H"	-2.014552
"821476"	302.129224	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-2H"	-2.014552
"83654"	1211.538724	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M-H"	-1.007276
"529777"	1817.811724	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M-H"	-1.007276
"902111"	605.265724	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-H"	-1.007276
"60862"	1228.565271	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M-2H+NH4"	16.019271
"500423"	1834.838271	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M-2H+NH4"	16.019271
"869476"	622.292271	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-2H+NH4"	16.019271
"34093"	1233.520666	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M-2H+Na"	20.974666
"472677"	1839.793666	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M-2H+Na"	20.974666
"850361"	627.247666	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-2H+Na"	20.974666
"1619769"	627.247666	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Na-2H"	20.974666
"106272"	623.254063	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M-H+Cl"	33.962126
"542550"	926.390563	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M-H+Cl"	33.962126
"933877"	320.117563	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-H+Cl"	33.962126
"268298"	1247.515402	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+Cl"	34.969402
"661204"	1853.788402	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+Cl"	34.969402
"1276166"	641.242402	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Cl"	34.969402
"19815"	1249.494606	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M-2H+K"	36.948606
"456578"	1855.767606	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M-2H+K"	36.948606
"834257"	643.221606	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-2H+K"	36.948606
"1557378"	643.221606	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+K-2H"	36.948606
"943198"	651.271194	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-H+HCOOH"	44.998194
"361658"	1257.544201	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+HCOOH-H"	44.998201
"349547"	1271.559851	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+Hac-H"	59.013851
"1496202"	665.286851	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Hac-H"	59.013851
"961555"	673.253151	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-H+NaCOOH"	66.980151
"112647"	641.242402	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+2Cl"	69.938804
"552571"	944.378902	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+2Cl"	69.938804
"1028665"	338.105902	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2Cl"	69.938804
"1249340"	685.191885	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Br"	78.918885
"1312888"	687.247872	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Cl+HCOOH"	80.974872
"1327101"	709.229829	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Cl+NaCOOH"	102.956829
"914148"	719.258586	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M-H+CF3COOH"	112.985586
"1293769"	755.235264	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Cl+CF3COOH"	148.962264
"1369746"	571.260324	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H-2H2O"	-35.012676
"1389429"	589.2703	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H-H2O"	-17.0027
"293488"	1213.553276	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+H"	1.007276
"690281"	1819.826276	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+H"	1.007276
"1351692"	607.280276	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H"	1.007276
"132970"	607.280276	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+2H"	2.014552
"566450"	910.416776	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+2H"	2.014552
"1039499"	304.143776	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2H"	2.014552
"205944"	405.189276	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+3H"	3.021828
"647689"	607.280276	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+3H"	3.021828
"1167639"	203.098276	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+3H"	3.021828
"427993"	1230.579823	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+NH4"	18.033823
"789351"	1836.852823	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+NH4"	18.033823
"1686777"	624.306823	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+NH4"	18.033823
"333230"	615.7935495	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+H+NH4"	19.041099
"727839"	918.9300495	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+H+NH4"	19.041099
"1486400"	312.6570495	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H+NH4"	19.041099
"401799"	1235.535218	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+Na"	22.989218
"764982"	1841.808218	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+Na"	22.989218
"1614174"	629.262218	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Na"	22.989218
"325304"	618.271247	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+H+Na"	23.996494
"718818"	921.407747	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+H+Na"	23.996494
"1471546"	315.134747	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H+Na"	23.996494
"1054588"	210.42559	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2H+Na"	25.00377
"1257726"	639.306486	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+CH3OH+H"	33.033486
"383968"	1251.509158	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+K"	38.963158
"740951"	1857.782158	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+K"	38.963158
"1544832"	645.236158	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+K"	38.963158
"311492"	626.258217	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+H+K"	39.970434
"705007"	929.394717	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+H+K"	39.970434
"1455910"	323.121717	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H+K"	39.970434
"248523"	1254.579826	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+ACN+H"	42.033826
"1225001"	648.306826	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+ACN+H"	42.033826
"1204386"	324.657051	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+ACN+2H"	43.041102
"201632"	1257.51716	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+2Na-H"	44.97116
"640096"	1863.79016	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+2Na-H"	44.97116
"1136311"	651.24416	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2Na-H"	44.97116
"181425"	629.262218	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+2Na"	45.978436
"619529"	932.398718	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+2Na"	45.978436
"1122307"	326.125718	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2Na"	45.978436
"1401816"	217.752904	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H+2Na"	46.985712
"1437947"	653.285746	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H+HCOOH"	47.012746
"227647"	634.29524	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+3H2O+2H"	56.04448
"1518988"	667.33779	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+IsoProp+H"	61.06479
"414301"	637.249188	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+Na+K"	61.952376
"774569"	940.385688	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+Na+K"	61.952376
"1670535"	334.112688	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Na+K"	61.952376
"260336"	1276.561768	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+ACN+Na"	64.015768
"1229398"	670.288768	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+ACN+Na"	64.015768
"1719742"	670.312293	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+NH4+HCOOH"	64.039293
"1184004"	225.080218	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+3Na"	68.967654
"1653903"	675.267688	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Na+HCOOH"	68.994688
"164043"	1289.46504	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+2K-H"	76.91904
"601415"	1895.73804	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+2K-H"	76.91904
"1087019"	683.19204	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2K-H"	76.91904
"151502"	645.236158	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"2M+2K"	77.926316
"588873"	948.372658	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"3M+2K"	77.926316
"1077759"	342.099658	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2K"	77.926316
"1110974"	685.206592	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2K+H"	78.933592
"1342985"	685.294207	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+DMSO+H"	79.021207
"1013702"	689.333376	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2ACN+H"	83.060376
"1531827"	690.327008	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+IsoProp+Na+H"	84.054008
"999368"	345.170326	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+2ACN+2H"	84.067652
"1599341"	691.241628	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+K+HCOOH"	84.968628
"1421722"	721.273138	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+H+CF3COOH"	115.000138
"1154196"	365.683601	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+3ACN+2H"	125.094202
"1703750"	738.299685	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+NH4+CF3COOH"	132.026685
"1645962"	743.25508	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+Na+CF3COOH"	136.98208
"1581611"	759.22902	"C09391"	"Cepharanthine"	"C37H38N2O6"	"606.273"	"M+K+CF3COOH"	152.95602
"808695"	260.1049	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M"	0
"978946"	241.08651	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-H2O-H"	-19.01839
"67187"	172.395990666667	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M-3H"	-3.021828
"510035"	259.097624	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M-3H"	-3.021828
"891120"	85.6943573333333	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-3H"	-3.021828
"9693"	259.097624	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M-2H"	-2.014552
"447066"	389.150074	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M-2H"	-2.014552
"819400"	129.045174	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-2H"	-2.014552
"79266"	519.202524	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M-H"	-1.007276
"525513"	779.307424	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M-H"	-1.007276
"902221"	259.097624	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-H"	-1.007276
"59879"	536.229071	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M-2H+NH4"	16.019271
"498346"	796.333971	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M-2H+NH4"	16.019271
"868127"	276.124171	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-2H+NH4"	16.019271
"32379"	541.184466	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M-2H+Na"	20.974666
"472419"	801.289366	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M-2H+Na"	20.974666
"849250"	281.079566	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-2H+Na"	20.974666
"1619636"	281.079566	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Na-2H"	20.974666
"106382"	277.085963	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M-H+Cl"	33.962126
"542660"	407.138413	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M-H+Cl"	33.962126
"933987"	147.033513	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-H+Cl"	33.962126
"269261"	555.179202	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+Cl"	34.969402
"661075"	815.284102	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+Cl"	34.969402
"1276276"	295.074302	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Cl"	34.969402
"18832"	557.158406	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M-2H+K"	36.948606
"459484"	817.263306	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M-2H+K"	36.948606
"834368"	297.053506	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-2H+K"	36.948606
"1556398"	297.053506	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+K-2H"	36.948606
"945374"	305.103094	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-H+HCOOH"	44.998194
"362375"	565.208001	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+HCOOH-H"	44.998201
"347228"	579.223651	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+Hac-H"	59.013851
"1493149"	319.118751	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Hac-H"	59.013851
"959596"	327.085051	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-H+NaCOOH"	66.980151
"116036"	295.074302	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+2Cl"	69.938804
"553411"	425.126752	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+2Cl"	69.938804
"1029865"	165.021852	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2Cl"	69.938804
"1246169"	339.023785	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Br"	78.918885
"1312998"	341.079772	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Cl+HCOOH"	80.974872
"1326119"	363.061729	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Cl+NaCOOH"	102.956829
"913894"	373.090486	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M-H+CF3COOH"	112.985586
"1293879"	409.067164	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Cl+CF3COOH"	148.962264
"1369857"	225.092224	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H-2H2O"	-35.012676
"1390632"	243.1022	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H-H2O"	-17.0027
"295784"	521.217076	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+H"	1.007276
"690760"	781.321976	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+H"	1.007276
"1352533"	261.112176	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H"	1.007276
"127611"	261.112176	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+2H"	2.014552
"567165"	391.164626	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+2H"	2.014552
"1039613"	131.059726	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2H"	2.014552
"205691"	174.410542666667	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+3H"	3.021828
"648893"	261.112176	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+3H"	3.021828
"1166656"	87.7089093333333	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+3H"	3.021828
"428832"	538.243623	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+NH4"	18.033823
"790192"	798.348523	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+NH4"	18.033823
"1685063"	278.138723	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+NH4"	18.033823
"334800"	269.6254495	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+H+NH4"	19.041099
"731596"	399.6778995	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+H+NH4"	19.041099
"1485417"	139.5729995	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H+NH4"	19.041099
"403734"	543.199018	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+Na"	22.989218
"766915"	803.303918	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+Na"	22.989218
"1616107"	283.094118	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Na"	22.989218
"325415"	272.103147	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+H+Na"	23.996494
"720021"	402.155597	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+H+Na"	23.996494
"1472750"	142.050697	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H+Na"	23.996494
"1065997"	95.0362233333333	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2H+Na"	25.00377
"1260387"	293.138386	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+CH3OH+H"	33.033486
"379694"	559.172958	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+K"	38.963158
"741061"	819.277858	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+K"	38.963158
"1546036"	299.068058	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+K"	38.963158
"311967"	280.090117	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+H+K"	39.970434
"704753"	410.142567	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+H+K"	39.970434
"1457113"	150.037667	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H+K"	39.970434
"249726"	562.243626	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+ACN+H"	42.033826
"1224504"	302.138726	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+ACN+H"	42.033826
"1204496"	151.573001	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+ACN+2H"	43.041102
"201378"	565.18096	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+2Na-H"	44.97116
"639842"	825.28586	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+2Na-H"	44.97116
"1139337"	305.07606	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2Na-H"	44.97116
"183723"	283.094118	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+2Na"	45.978436
"615995"	413.146568	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+2Na"	45.978436
"1122417"	153.041668	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2Na"	45.978436
"1403383"	102.363537333333	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H+2Na"	46.985712
"1438057"	307.117646	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H+HCOOH"	47.012746
"227757"	288.12714	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+3H2O+2H"	56.04448
"1518005"	321.16969	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+IsoProp+H"	61.06479
"410766"	291.081088	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+Na+K"	61.952376
"771763"	421.133538	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+Na+K"	61.952376
"1666757"	161.028638	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Na+K"	61.952376
"257530"	584.225568	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+ACN+Na"	64.015768
"1228049"	324.120668	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+ACN+Na"	64.015768
"1715478"	324.144193	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+NH4+HCOOH"	64.039293
"1181557"	109.690851333333	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+3Na"	68.967654
"1656198"	329.099588	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Na+HCOOH"	68.994688
"161237"	597.12884	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+2K-H"	76.91904
"600432"	857.23374	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+2K-H"	76.91904
"1085670"	337.02394	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2K-H"	76.91904
"150517"	299.068058	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"2M+2K"	77.926316
"587890"	429.120508	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"3M+2K"	77.926316
"1076774"	169.015608	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2K"	77.926316
"1111085"	339.038492	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2K+H"	78.933592
"1348562"	339.126107	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+DMSO+H"	79.021207
"1018187"	343.165276	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2ACN+H"	83.060376
"1531938"	344.158908	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+IsoProp+Na+H"	84.054008
"998384"	172.086276	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+2ACN+2H"	84.067652
"1599451"	345.073528	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+K+HCOOH"	84.968628
"1422925"	375.105038	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+H+CF3COOH"	115.000138
"1153213"	192.599551	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+3ACN+2H"	125.094202
"1702766"	392.131585	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+NH4+CF3COOH"	132.026685
"1640604"	397.08698	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+Na+CF3COOH"	136.98208
"1578441"	413.06092	"C09392"	"8-Deoxylactucin"	"C15H16O4"	"260.1049"	"M+K+CF3COOH"	152.95602
"813181"	369.1212	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M"	0
"980150"	350.10281	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-H2O-H"	-19.01839
"68391"	245.073524	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M-3H"	-3.021828
"511238"	368.113924	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M-3H"	-3.021828
"891231"	122.033124	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-3H"	-3.021828
"8711"	368.113924	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M-2H"	-2.014552
"444988"	552.674524	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M-2H"	-2.014552
"819510"	183.553324	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-2H"	-2.014552
"79498"	737.235124	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M-H"	-1.007276
"524530"	1106.356324	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M-H"	-1.007276
"901238"	368.113924	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-H"	-1.007276
"58896"	754.261671	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M-2H+NH4"	16.019271
"497363"	1123.382871	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M-2H+NH4"	16.019271
"868601"	385.140471	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-2H+NH4"	16.019271
"33945"	759.217066	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M-2H+Na"	20.974666
"472045"	1128.338266	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M-2H+Na"	20.974666
"849482"	390.095866	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-2H+Na"	20.974666
"1620110"	390.095866	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Na-2H"	20.974666
"106492"	386.102263	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M-H+Cl"	33.962126
"541677"	570.662863	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M-H+Cl"	33.962126
"931911"	201.541663	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-H+Cl"	33.962126
"268278"	773.211802	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+Cl"	34.969402
"660453"	1142.333002	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+Cl"	34.969402
"1276386"	404.090602	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Cl"	34.969402
"17849"	775.191006	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M-2H+K"	36.948606
"458501"	1144.312206	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M-2H+K"	36.948606
"832950"	406.069806	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-2H+K"	36.948606
"1555763"	406.069806	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+K-2H"	36.948606
"943174"	414.119394	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-H+HCOOH"	44.998194
"362118"	783.240601	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+HCOOH-H"	44.998201
"346002"	797.256251	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+Hac-H"	59.013851
"1493504"	428.135051	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Hac-H"	59.013851
"958897"	436.101351	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-H+NaCOOH"	66.980151
"112502"	404.090602	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+2Cl"	69.938804
"553886"	588.651202	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+2Cl"	69.938804
"1026695"	219.530002	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2Cl"	69.938804
"1245186"	448.040085	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Br"	78.918885
"1313100"	450.096072	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Cl+HCOOH"	80.974872
"1327322"	472.078029	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Cl+NaCOOH"	102.956829
"914004"	482.106786	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M-H+CF3COOH"	112.985586
"1295083"	518.083464	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Cl+CF3COOH"	148.962264
"1369968"	334.108524	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H-2H2O"	-35.012676
"1390742"	352.1185	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H-H2O"	-17.0027
"295894"	739.249676	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+H"	1.007276
"690749"	1108.370876	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+H"	1.007276
"1352279"	370.128476	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H"	1.007276
"126993"	370.128476	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+2H"	2.014552
"568368"	554.689076	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+2H"	2.014552
"1040816"	185.567876	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2H"	2.014552
"206528"	247.088076	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+3H"	3.021828
"650096"	370.128476	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+3H"	3.021828
"1166766"	124.047676	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+3H"	3.021828
"428213"	756.276223	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+NH4"	18.033823
"791032"	1125.397423	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+NH4"	18.033823
"1684445"	387.155023	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+NH4"	18.033823
"337098"	378.6417495	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+H+NH4"	19.041099
"732801"	563.2023495	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+H+NH4"	19.041099
"1488808"	194.0811495	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H+NH4"	19.041099
"403115"	761.231618	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+Na"	22.989218
"767389"	1130.352818	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+Na"	22.989218
"1616580"	392.110418	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Na"	22.989218
"324430"	381.119447	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+H+Na"	23.996494
"719038"	565.680047	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+H+Na"	23.996494
"1471767"	196.558847	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H+Na"	23.996494
"1066837"	131.37499	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2H+Na"	25.00377
"1259404"	402.154686	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+CH3OH+H"	33.033486
"379802"	777.205558	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+K"	38.963158
"739057"	1146.326758	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+K"	38.963158
"1545054"	408.084358	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+K"	38.963158
"311713"	389.106417	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+H+K"	39.970434
"704864"	573.667017	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+H+K"	39.970434
"1456860"	204.545817	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H+K"	39.970434
"247650"	780.276226	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+ACN+H"	42.033826
"1223520"	411.155026	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+ACN+H"	42.033826
"1203513"	206.081151	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+ACN+2H"	43.041102
"195653"	783.21356	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+2Na-H"	44.97116
"639223"	1152.33476	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+2Na-H"	44.97116
"1135072"	414.09236	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2Na-H"	44.97116
"178364"	392.110418	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+2Na"	45.978436
"616105"	576.671018	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+2Na"	45.978436
"1117055"	207.549818	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2Na"	45.978436
"1401306"	138.702304	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H+2Na"	46.985712
"1438167"	416.133946	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H+HCOOH"	47.012746
"227867"	397.14344	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+3H2O+2H"	56.04448
"1518845"	430.18599	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+IsoProp+H"	61.06479
"416708"	400.097388	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+Na+K"	61.952376
"771630"	584.657988	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+Na+K"	61.952376
"1668934"	215.536788	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Na+K"	61.952376
"259463"	802.258168	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+ACN+Na"	64.015768
"1229254"	433.136968	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+ACN+Na"	64.015768
"1714859"	433.160493	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+NH4+HCOOH"	64.039293
"1182760"	146.029618	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+3Na"	68.967654
"1655215"	438.115888	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Na+HCOOH"	68.994688
"162076"	815.16144	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+2K-H"	76.91904
"599449"	1184.28264	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+2K-H"	76.91904
"1086509"	446.04024	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2K-H"	76.91904
"149534"	408.084358	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"2M+2K"	77.926316
"589093"	592.644958	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"3M+2K"	77.926316
"1077976"	223.523758	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2K"	77.926316
"1110102"	448.054792	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2K+H"	78.933592
"1345392"	448.142407	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+DMSO+H"	79.021207
"1019390"	452.181576	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2ACN+H"	83.060376
"1530954"	453.175208	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+IsoProp+Na+H"	84.054008
"998494"	226.594426	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+2ACN+2H"	84.067652
"1596279"	454.089828	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+K+HCOOH"	84.968628
"1420849"	484.121338	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+H+CF3COOH"	115.000138
"1150043"	247.107701	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+3ACN+2H"	125.094202
"1706158"	501.147885	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+NH4+CF3COOH"	132.026685
"1640714"	506.10328	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+Na+CF3COOH"	136.98208
"1578551"	522.07722	"C09393"	"Corpaine"	"C20H19NO6"	"369.1212"	"M+K+CF3COOH"	152.95602
"808915"	246.1256	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M"	0
"978072"	227.10721	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"68501"	163.076457333333	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"512442"	245.118324	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"893163"	81.0345906666667	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"11007"	245.118324	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"446192"	368.181124	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"819620"	122.055524	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"79973"	491.243924	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"524640"	737.369524	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"901348"	245.118324	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"59006"	508.270471	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"497473"	754.396071	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"867983"	262.144871	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"32963"	513.225866	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"472638"	759.351466	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"849957"	267.100266	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1620220"	267.100266	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"106238"	263.106663	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"538507"	386.169463	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"932021"	140.043863	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"267697"	527.220602	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"660090"	773.346202	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1277589"	281.095002	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"17107"	529.199806	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"458609"	775.325406	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"836409"	283.074206	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1556617"	283.074206	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"942973"	291.123794	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"364901"	537.249401	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"346840"	551.265051	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1494219"	305.139451	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"959817"	313.105751	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"114070"	281.095002	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"553630"	404.157802	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1027897"	158.032202	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1245296"	325.044485	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1313210"	327.100472	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1329618"	349.082429	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"913021"	359.111186	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1291914"	395.087864	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1370078"	211.112924	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1389759"	229.1229	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"292723"	493.258476	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"689153"	739.384076	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1352020"	247.132876	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"127223"	247.132876	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"566052"	370.195676	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1039104"	124.070076	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"205180"	165.091009333333	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"648748"	247.132876	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1164689"	83.0491426666667	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"428323"	510.285023	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"793329"	756.410623	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1686743"	264.159423	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"335023"	255.6461495	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"732911"	378.7089495	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1486731"	132.5833495	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"401039"	515.240418	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"766406"	761.366018	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1614503"	269.114818	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"324541"	258.123847	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"716963"	381.186647	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1471877"	135.061047	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1066216"	90.3764566666667	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1259879"	279.159086	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"381370"	531.214358	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"739695"	777.339958	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1544069"	285.088758	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"311094"	266.110817	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"704245"	389.173617	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1455875"	143.048017	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"245938"	534.285026	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1224115"	288.159426	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1203623"	144.583351	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"194306"	537.22236	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"637147"	783.34796	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1135546"	291.09676	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"178474"	269.114818	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"615851"	392.177618	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1117533"	146.052018	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1400690"	97.7037706666667	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1438277"	293.138346	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"230895"	274.14784	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1517131"	307.19039	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"416818"	277.101788	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"774536"	400.164588	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1670867"	154.038988	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"257387"	556.266968	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1227177"	310.141368	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1715332"	310.164893	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1182505"	105.031084666667	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1654232"	315.120288	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"159271"	569.17024	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"600652"	815.29584	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1085526"	323.04464	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"147457"	285.088758	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"591389"	408.151558	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1076993"	162.025958	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1110212"	325.059192	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1347689"	325.146807	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1019504"	329.185976	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1527784"	330.179608	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"997511"	165.096626	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1596389"	331.094228	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1419866"	361.125738	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1149060"	185.609901	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1706268"	378.152285	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1640824"	383.10768	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1578661"	399.08162	"C09394"	"Desacetoxymatricarin;Leucodin"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"809025"	362.1729	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M"	0
"979275"	343.15451	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"67517"	240.441324	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"513645"	361.165624	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"893637"	119.717024	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"12210"	361.165624	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"447395"	542.252074	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"823010"	180.079174	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"82999"	723.338524	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"524750"	1085.511424	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"903644"	361.165624	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"59116"	740.365071	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"497583"	1102.537971	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"867364"	378.192171	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"35260"	745.320466	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"477008"	1107.493366	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"851525"	383.147566	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1622153"	383.147566	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"107441"	379.153963	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"538617"	560.240413	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"933224"	198.067513	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"268252"	759.315202	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"661035"	1121.488102	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1278793"	397.142302	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"17339"	761.294406	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"458718"	1123.467306	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"837613"	399.121506	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1562195"	399.121506	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"944610"	407.171094	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"363917"	769.344001	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"346828"	783.359651	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1494087"	421.186751	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"960535"	429.153051	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"112357"	397.142302	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"554104"	578.228752	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1026913"	216.055852	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1242483"	441.091785	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1307487"	443.147772	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1324625"	465.129729	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"912037"	475.158486	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1290931"	511.135164	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1367999"	327.160224	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1385494"	345.1702	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"289553"	725.353076	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"685253"	1087.525976	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1351764"	363.180176	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"126113"	363.180176	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"566158"	544.266626	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1037755"	182.093726	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"204562"	242.455876	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"645578"	363.180176	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1164434"	121.731576	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"425639"	742.379623	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"786388"	1104.552523	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1683206"	380.206723	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"333307"	371.6934495	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"727554"	552.7798995	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1481372"	190.6069995	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"397865"	747.335018	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"763236"	1109.507918	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1612428"	385.162118	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"322465"	374.171147	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"714886"	555.257597	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1468706"	193.084697	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1058672"	129.05889	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1257060"	395.206386	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"377386"	763.308958	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"738833"	1125.481858	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1543085"	401.136058	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"312297"	382.158117	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"705084"	563.244567	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1456349"	201.071667	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"247141"	766.379626	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1222037"	404.206726	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1208472"	202.607001	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"196603"	769.31696	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"638350"	1131.48986	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1137479"	407.14406	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"185144"	385.162118	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"617054"	566.248568	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1118374"	204.075668	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1402989"	136.386204	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1438387"	409.185646	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"231369"	390.19514	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1518334"	423.23769	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"420208"	393.149088	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"774646"	574.235538	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1673164"	212.062638	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"257497"	788.361568	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1229109"	426.188668	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1716171"	426.212193	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1182616"	143.713518	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1655434"	431.167588	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"161203"	801.26484	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"598939"	1163.43774	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1086000"	439.09194	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"155706"	401.136058	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"595871"	582.222508	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1077103"	220.049608	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1109218"	441.106492	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1351082"	441.194107	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1020340"	445.233276	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1528988"	446.226908	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"1003088"	223.120276	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1596499"	447.141528	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1421069"	477.173038	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1150263"	243.633551	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1706378"	494.199585	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1640934"	499.15498	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1578771"	515.12892	"C09395"	"Deacetyleupaserrin"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"801556"	262.1205	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M"	0
"977199"	243.10211	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"66534"	173.739724	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"512662"	261.113224	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"895495"	86.366224	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"13414"	261.113224	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"450785"	392.173474	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"824214"	130.052974	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"84203"	523.233724	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"528140"	785.354224	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"903754"	261.113224	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"61170"	540.260271	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"493318"	802.380771	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"868202"	278.139771	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"35005"	545.215666	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"477118"	807.336166	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"853459"	283.095166	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1622630"	283.095166	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"107551"	279.101563	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"538727"	410.161813	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"935521"	148.041313	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"271524"	559.210402	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"662482"	821.330902	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1277810"	297.089902	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"18542"	561.189606	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"461014"	823.310106	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"839910"	299.069106	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1561210"	299.069106	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"946905"	307.118694	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"367307"	569.239201	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"349004"	583.254851	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1494562"	321.134351	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"962832"	329.100651	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"113561"	297.089902	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"553850"	428.150152	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1022769"	166.029652	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1244052"	341.039385	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1310149"	343.095372	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1324735"	365.077329	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"916520"	375.106086	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1297602"	411.082764	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1370297"	227.107824	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1387792"	245.1178	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"289663"	525.248276	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"687551"	787.368776	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1352968"	263.127776	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"127073"	263.127776	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"567241"	394.188026	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1038712"	132.067526	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"207589"	175.754276	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"645809"	263.127776	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1165273"	88.380776	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"427451"	542.274823	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"788444"	804.395323	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1685139"	280.154323	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"334513"	271.6410495	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"726568"	402.7012995	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1480390"	140.5807995	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"395790"	547.230218	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"764441"	809.350718	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1611447"	285.109718	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"325855"	274.118747	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"717182"	405.178997	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1469909"	143.058497	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1059875"	95.70809	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1257912"	295.153986	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"379039"	563.204158	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"739430"	825.324658	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1544289"	301.083658	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"301831"	282.105717	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"693885"	413.165967	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1450987"	151.045467	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"247251"	566.274826	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1222147"	304.154326	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1209189"	152.580801	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"203153"	569.21216	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"640645"	831.33266	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1143059"	307.09166	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"181974"	285.109718	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"622634"	416.169968	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1123952"	154.049468	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1409662"	103.035404	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1438497"	309.133246	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"232571"	290.14274	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1517352"	323.18529	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"413758"	293.096688	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"773661"	424.156938	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1667560"	162.036438	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"255416"	588.256768	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1231404"	326.136268	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1717010"	326.159793	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1181270"	110.362718	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1654451"	331.115188	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"161677"	601.16004	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"601964"	863.28054	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1088661"	339.03954	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"150957"	301.083658	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"592702"	432.143908	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1078305"	170.023408	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1109326"	341.054092	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1342431"	341.141707	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1014249"	345.180876	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1537721"	346.174508	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"1004901"	173.094076	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1599890"	347.089128	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1414493"	377.120638	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1147574"	193.607351	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1699926"	394.147185	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1637763"	399.10258	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1578881"	415.07652	"C09396"	"Dihydrogriesenin"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"803047"	292.0947	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M"	0
"975363"	273.07631	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-H2O-H"	-19.01839
"64578"	193.722524	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M-3H"	-3.021828
"512772"	291.087424	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M-3H"	-3.021828
"895482"	96.357624	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-3H"	-3.021828
"12431"	291.087424	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M-2H"	-2.014552
"446522"	437.134774	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M-2H"	-2.014552
"824324"	145.040074	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-2H"	-2.014552
"83220"	583.182124	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M-H"	-1.007276
"527157"	875.276824	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M-H"	-1.007276
"903864"	291.087424	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-H"	-1.007276
"60187"	600.208671	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M-2H+NH4"	16.019271
"492699"	892.303371	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M-2H+NH4"	16.019271
"867584"	308.113971	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-2H+NH4"	16.019271
"34752"	605.164066	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M-2H+Na"	20.974666
"477228"	897.258766	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M-2H+Na"	20.974666
"852111"	313.069366	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-2H+Na"	20.974666
"1622739"	313.069366	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Na-2H"	20.974666
"105839"	309.075763	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M-H+Cl"	33.962126
"538837"	455.123113	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M-H+Cl"	33.962126
"933444"	163.028413	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-H+Cl"	33.962126
"271998"	619.158802	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+Cl"	34.969402
"661500"	911.253502	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+Cl"	34.969402
"1277920"	327.064102	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Cl"	34.969402
"17559"	621.138006	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M-2H+K"	36.948606
"457481"	913.232706	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M-2H+K"	36.948606
"835648"	329.043306	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-2H+K"	36.948606
"1560227"	329.043306	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+K-2H"	36.948606
"944950"	337.092894	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-H+HCOOH"	44.998194
"365231"	629.187601	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+HCOOH-H"	44.998201
"346929"	643.203251	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+Hac-H"	59.013851
"1494306"	351.108551	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Hac-H"	59.013851
"960755"	359.074851	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-H+NaCOOH"	66.980151
"113670"	327.064102	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+2Cl"	69.938804
"555053"	473.111452	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+2Cl"	69.938804
"1024945"	181.016752	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2Cl"	69.938804
"1241612"	371.013585	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Br"	78.918885
"1305156"	373.069572	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Cl+HCOOH"	80.974872
"1325209"	395.051529	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Cl+NaCOOH"	102.956829
"912255"	405.080286	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M-H+CF3COOH"	112.985586
"1291152"	441.056964	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Cl+CF3COOH"	148.962264
"1369678"	257.082024	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H-2H2O"	-35.012676
"1385714"	275.092	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H-H2O"	-17.0027
"285400"	585.196676	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+H"	1.007276
"678914"	877.291376	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+H"	1.007276
"1351863"	293.101976	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H"	1.007276
"126698"	293.101976	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+2H"	2.014552
"566743"	439.149326	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+2H"	2.014552
"1038336"	147.054626	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2H"	2.014552
"205145"	195.737076	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+3H"	3.021828
"644704"	293.101976	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+3H"	3.021828
"1164654"	98.372176	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+3H"	3.021828
"426103"	602.223223	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+NH4"	18.033823
"788191"	894.317923	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+NH4"	18.033823
"1684887"	310.128523	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+NH4"	18.033823
"333531"	301.6152495	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+H+NH4"	19.041099
"726679"	447.6625995	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+H+NH4"	19.041099
"1480501"	155.5678995	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H+NH4"	19.041099
"393713"	607.178618	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+Na"	22.989218
"766374"	899.273318	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+Na"	22.989218
"1612650"	315.083918	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Na"	22.989218
"326695"	304.092947	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+H+Na"	23.996494
"717292"	450.140297	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+H+Na"	23.996494
"1470020"	158.045597	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H+Na"	23.996494
"1062172"	105.69949	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2H+Na"	25.00377
"1259845"	325.128186	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+CH3OH+H"	33.033486
"380245"	623.152558	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+K"	38.963158
"738656"	915.247258	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+K"	38.963158
"1540383"	331.057858	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+K"	38.963158
"302305"	312.079917	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+H+K"	39.970434
"693267"	458.127267	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+H+K"	39.970434
"1453284"	166.032567	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H+K"	39.970434
"246268"	626.223226	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+ACN+H"	42.033826
"1218976"	334.128526	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+ACN+H"	42.033826
"1202859"	167.567901	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+ACN+2H"	43.041102
"200103"	629.16056	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+2Na-H"	44.97116
"638568"	921.25526	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+2Na-H"	44.97116
"1139889"	337.06586	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2Na-H"	44.97116
"178804"	315.083918	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+2Na"	45.978436
"623838"	461.131268	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+2Na"	45.978436
"1126248"	169.036568	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2Na"	45.978436
"1409772"	113.026804	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H+2Na"	46.985712
"1438607"	339.107446	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H+HCOOH"	47.012746
"231588"	320.11694	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+3H2O+2H"	56.04448
"1517463"	353.15949	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+IsoProp+H"	61.06479
"412046"	323.070888	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+Na+K"	61.952376
"773406"	469.118238	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+Na+K"	61.952376
"1669372"	177.023538	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Na+K"	61.952376
"254433"	648.205168	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+ACN+Na"	64.015768
"1229327"	356.110468	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+ACN+Na"	64.015768
"1716027"	356.133993	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+NH4+HCOOH"	64.039293
"1179557"	120.354118	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+3Na"	68.967654
"1655654"	361.089388	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Na+HCOOH"	68.994688
"163609"	661.10844	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+2K-H"	76.91904
"602074"	953.20314	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+2K-H"	76.91904
"1088771"	369.01374	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2K-H"	76.91904
"153253"	331.057858	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"2M+2K"	77.926316
"591719"	477.105208	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"3M+2K"	77.926316
"1076229"	185.010508	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2K"	77.926316
"1107247"	371.028292	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2K+H"	78.933592
"1343633"	371.115907	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+DMSO+H"	79.021207
"1014359"	375.155076	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2ACN+H"	83.060376
"1536738"	376.148708	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+IsoProp+Na+H"	84.054008
"1004039"	188.081176	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+2ACN+2H"	84.067652
"1597815"	377.063328	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+K+HCOOH"	84.968628
"1415454"	407.094838	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+H+CF3COOH"	115.000138
"1148296"	208.594451	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+3ACN+2H"	125.094202
"1703316"	424.121385	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+NH4+CF3COOH"	132.026685
"1637873"	429.07678	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+Na+CF3COOH"	136.98208
"1578991"	445.05072	"C09397"	"Dihydromikanolide"	"C15H16O6"	"292.0947"	"M+K+CF3COOH"	152.95602
"801561"	311.1158	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M"	0
"974543"	292.09741	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-H2O-H"	-19.01839
"64567"	206.403257333333	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M-3H"	-3.021828
"512882"	310.108524	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M-3H"	-3.021828
"890685"	102.697990666667	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-3H"	-3.021828
"11446"	310.108524	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M-2H"	-2.014552
"446630"	465.666424	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M-2H"	-2.014552
"825525"	154.550624	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-2H"	-2.014552
"81143"	621.224324	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M-H"	-1.007276
"526173"	932.340124	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M-H"	-1.007276
"901786"	310.108524	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-H"	-1.007276
"60418"	638.250871	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M-2H+NH4"	16.019271
"494632"	949.366671	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M-2H+NH4"	16.019271
"866966"	327.135071	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-2H+NH4"	16.019271
"34134"	643.206266	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M-2H+Na"	20.974666
"476610"	954.322066	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M-2H+Na"	20.974666
"850400"	332.090466	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-2H+Na"	20.974666
"1619934"	332.090466	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Na-2H"	20.974666
"108135"	328.096863	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M-H+Cl"	33.962126
"542227"	483.654763	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M-H+Cl"	33.962126
"939021"	172.538963	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-H+Cl"	33.962126
"271016"	657.201002	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+Cl"	34.969402
"660758"	968.316802	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+Cl"	34.969402
"1279123"	346.085202	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Cl"	34.969402
"16576"	659.180206	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M-2H+K"	36.948606
"456619"	970.296006	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M-2H+K"	36.948606
"835028"	348.064406	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-2H+K"	36.948606
"1562525"	348.064406	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+K-2H"	36.948606
"948219"	356.113994	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-H+HCOOH"	44.998194
"366435"	667.229801	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+HCOOH-H"	44.998201
"349227"	681.245451	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+Hac-H"	59.013851
"1492924"	370.129651	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Hac-H"	59.013851
"959405"	378.095951	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-H+NaCOOH"	66.980151
"111594"	346.085202	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+2Cl"	69.938804
"554070"	501.643102	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+2Cl"	69.938804
"1026148"	190.527302	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2Cl"	69.938804
"1241518"	390.034685	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Br"	78.918885
"1304329"	392.090672	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Cl+HCOOH"	80.974872
"1327871"	414.072629	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Cl+NaCOOH"	102.956829
"913825"	424.101386	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M-H+CF3COOH"	112.985586
"1288831"	460.078064	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Cl+CF3COOH"	148.962264
"1367844"	276.103124	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H-2H2O"	-35.012676
"1384366"	294.1131	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H-H2O"	-17.0027
"284417"	623.238876	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+H"	1.007276
"676229"	934.354676	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+H"	1.007276
"1352462"	312.123076	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H"	1.007276
"126564"	312.123076	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+2H"	2.014552
"566731"	467.680976	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+2H"	2.014552
"1038082"	156.565176	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2H"	2.014552
"205622"	208.417809333333	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+3H"	3.021828
"644266"	312.123076	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+3H"	3.021828
"1164764"	104.712542666667	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+3H"	3.021828
"427672"	640.265423	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+NH4"	18.033823
"789760"	951.381223	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+NH4"	18.033823
"1684996"	329.149623	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+NH4"	18.033823
"336557"	320.6363495	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+H+NH4"	19.041099
"727884"	476.1942495	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+H+NH4"	19.041099
"1479518"	165.0784495	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H+NH4"	19.041099
"397103"	645.220818	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+Na"	22.989218
"765754"	956.336618	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+Na"	22.989218
"1611665"	334.105018	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Na"	22.989218
"324618"	323.114047	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+H+Na"	23.996494
"717401"	478.671947	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+H+Na"	23.996494
"1470128"	167.556147	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H+Na"	23.996494
"1058999"	112.039856666667	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2H+Na"	25.00377
"1259592"	344.149286	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+CH3OH+H"	33.033486
"378533"	661.194758	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+K"	38.963158
"739288"	972.310558	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+K"	38.963158
"1540168"	350.078958	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+K"	38.963158
"302047"	331.101017	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+H+K"	39.970434
"696293"	486.658917	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+H+K"	39.970434
"1452301"	175.543117	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H+K"	39.970434
"247466"	664.265426	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+ACN+H"	42.033826
"1222366"	353.149626	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+ACN+H"	42.033826
"1202969"	177.078451	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+ACN+2H"	43.041102
"199118"	667.20276	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+2Na-H"	44.97116
"636493"	978.31856	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+2Na-H"	44.97116
"1143274"	356.08696	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2Na-H"	44.97116
"175633"	334.105018	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+2Na"	45.978436
"623948"	489.662918	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+2Na"	45.978436
"1124901"	178.547118	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2Na"	45.978436
"1406237"	119.367170666667	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H+2Na"	46.985712
"1439447"	358.128546	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H+HCOOH"	47.012746
"228417"	339.13804	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+3H2O+2H"	56.04448
"1517572"	372.18059	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+IsoProp+H"	61.06479
"413979"	342.091988	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+Na+K"	61.952376
"774972"	497.649888	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+Na+K"	61.952376
"1668022"	186.534088	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Na+K"	61.952376
"254543"	686.247368	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+ACN+Na"	64.015768
"1227251"	375.131568	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+ACN+Na"	64.015768
"1716137"	375.155093	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+NH4+HCOOH"	64.039293
"1179668"	126.694484666667	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+3Na"	68.967654
"1655764"	380.110488	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Na+HCOOH"	68.994688
"163719"	699.15064	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+2K-H"	76.91904
"603277"	1010.26644	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+2K-H"	76.91904
"1087788"	388.03484	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2K-H"	76.91904
"152269"	350.078958	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"2M+2K"	77.926316
"594015"	505.636858	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"3M+2K"	77.926316
"1075246"	194.521058	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2K"	77.926316
"1108450"	390.049392	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2K+H"	78.933592
"1342649"	390.137007	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+DMSO+H"	79.021207
"1014469"	394.176176	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2ACN+H"	83.060376
"1537941"	395.169808	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+IsoProp+Na+H"	84.054008
"1000139"	197.591726	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+2ACN+2H"	84.067652
"1599019"	396.084428	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+K+HCOOH"	84.968628
"1415564"	426.115938	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+H+CF3COOH"	115.000138
"1148041"	218.105001	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+3ACN+2H"	125.094202
"1703426"	443.142485	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+NH4+CF3COOH"	132.026685
"1637983"	448.09788	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+Na+CF3COOH"	136.98208
"1579101"	464.07182	"C09398"	"Cularicine"	"C18H17NO4"	"311.1158"	"M+K+CF3COOH"	152.95602
"801426"	234.162	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M"	0
"974613"	215.14361	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"63338"	155.100724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"511898"	233.154724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"889702"	77.046724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"11556"	233.154724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"443460"	350.235724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"824542"	116.073724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"81253"	467.316724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"526283"	701.478724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"900803"	233.154724	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"58462"	484.343271	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"489274"	718.505271	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"865736"	250.181271	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"40441"	489.298666	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"476720"	723.460666	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"851967"	255.136666	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1621136"	255.136666	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"104964"	251.143063	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"542337"	368.224063	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"935851"	134.062063	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"271126"	503.293402	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"660463"	737.455402	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1274122"	269.131402	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"15988"	505.272606	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"456323"	739.434606	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"833314"	271.110606	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1559354"	271.110606	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"946142"	279.160194	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"362533"	513.322201	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"349336"	527.337851	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1492841"	293.175851	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"958700"	301.142151	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"111334"	269.131402	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"551264"	386.212402	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1021436"	152.050402	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1241500"	313.080885	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1305734"	315.136872	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1326159"	337.118829	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"911617"	347.147586	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1288849"	383.124264	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1367217"	199.149324	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1383009"	217.1593	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"283262"	469.331276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"676171"	703.493276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1351716"	235.169276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H"	1.007276
"126308"	235.169276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"566145"	352.250276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1037740"	118.088276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"204671"	157.115276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"644915"	235.169276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1163897"	79.061276	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"425594"	486.357823	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"787317"	720.519823	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1683282"	252.195823	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"332292"	243.6825495	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"724711"	360.7635495	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1479624"	126.6015495	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"394659"	491.313218	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"761487"	725.475218	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1608493"	257.151218	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"320716"	246.160247	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"710952"	363.241247	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1473153"	129.079247	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1058015"	86.38859	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1261889"	267.195486	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"379373"	507.287158	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"739636"	741.449158	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1540238"	273.125158	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+K"	38.963158
"304343"	254.147217	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"696397"	371.228217	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1449857"	137.066217	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"246482"	510.357826	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1221382"	276.195826	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1203079"	138.601551	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"200322"	513.29516	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"641703"	747.45716	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1143020"	279.13316	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"175376"	257.151218	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"621506"	374.232218	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1125011"	140.070218	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1405983"	93.715904	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1438463"	281.174746	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"222331"	262.18424	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1516589"	295.22679	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"409716"	265.138188	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"773988"	382.219188	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1667038"	148.057188	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"253560"	532.339768	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1226996"	298.177768	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1715877"	298.201293	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1181595"	101.043218	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1650437"	303.156688	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"162736"	545.24304	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"601565"	779.40504	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1087898"	311.08104	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"152379"	273.125158	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"591938"	390.206158	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1076449"	156.044158	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1105280"	313.095592	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1341665"	313.183207	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1015672"	317.222376	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1537079"	318.216008	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"999155"	159.114826	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1599128"	319.130628	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1415187"	349.162138	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1148516"	179.628101	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1703536"	366.188685	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1638093"	371.14408	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1579211"	387.11802	"C09399"	"Drimenin"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"801877"	327.1471	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M"	0
"974964"	308.12871	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"63607"	217.090790666667	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"509821"	326.139824	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"889812"	108.041757333333	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"11666"	326.139824	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"445756"	489.713374	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"821371"	162.566274	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"81726"	653.286924	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"526393"	980.434024	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"902006"	326.139824	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"49824"	670.313471	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"488774"	997.460571	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"867542"	343.166371	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"42737"	675.268866	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"476830"	1002.415966	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"851712"	348.121766	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1621974"	348.121766	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"107991"	344.128163	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"545727"	507.701713	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"935961"	180.554613	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"271236"	689.263602	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"661470"	1016.410702	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1273384"	362.116502	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"16669"	691.242806	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"456225"	1018.389906	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"833098"	364.095706	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1557033"	364.095706	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"945523"	372.145294	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"362644"	699.292401	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"347622"	713.308051	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1493289"	386.160951	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"959257"	394.127251	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"113629"	362.116502	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"552463"	525.690052	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1022357"	198.542952	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1241694"	406.065985	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1305844"	408.121972	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1325175"	430.103929	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"912342"	440.132686	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1288923"	476.109364	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1368062"	292.134424	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1384099"	310.1444	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"282925"	655.301476	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"677055"	982.448576	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1351539"	328.154376	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"127757"	328.154376	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"566466"	491.727926	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1037937"	164.580826	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"206203"	219.105342666667	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"645030"	328.154376	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1164614"	110.056309333333	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"426795"	672.328023	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"788154"	999.475123	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1684850"	345.180923	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"332398"	336.6676495	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"724091"	500.2411995	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1479737"	173.0940995	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"393798"	677.283418	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"760504"	1004.430518	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1608603"	350.136318	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"319732"	339.145347	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"711061"	502.718897	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1474722"	175.571797	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1057032"	117.383623333333	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1265279"	360.180586	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"383856"	693.257358	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"740479"	1020.404458	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1544723"	366.110258	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"304453"	347.132317	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"698695"	510.705867	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1451422"	183.558767	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"244405"	696.328026	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1220029"	369.180926	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1204280"	185.094101	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"197150"	699.26536	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"639990"	1026.41246	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1138026"	372.11826	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"174757"	350.136318	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"614073"	513.709868	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1120014"	186.562768	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1404635"	124.710937333333	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1438574"	374.159846	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"223170"	355.16934	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1515607"	388.21189	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"410187"	358.123288	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"773369"	521.696838	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1666050"	194.549738	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"254760"	718.309968	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1227589"	391.162868	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1715257"	391.186393	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1179763"	132.038251333333	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1651602"	396.141788	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"160659"	731.21324	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"602768"	1058.36034	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1089101"	404.06614	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"154676"	366.110258	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"592048"	529.683808	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1074373"	202.536708	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1105390"	406.080692	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1340681"	406.168307	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1016876"	410.207476	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1539013"	411.201108	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"1000357"	205.607376	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1598146"	412.115728	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1414445"	442.147238	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1149720"	226.120651	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1703646"	459.173785	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1638203"	464.12918	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1579321"	480.10312	"C09400"	"Cularidine"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"804216"	434.1577	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M"	0
"977749"	415.13931	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-H2O-H"	-19.01839
"65261"	288.431190666667	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M-3H"	-3.021828
"511024"	433.150424	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M-3H"	-3.021828
"892837"	143.711957333333	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-3H"	-3.021828
"12868"	433.150424	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M-2H"	-2.014552
"446959"	650.229274	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M-2H"	-2.014552
"825855"	216.071574	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-2H"	-2.014552
"82566"	867.308124	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M-H"	-1.007276
"529783"	1301.465824	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M-H"	-1.007276
"903209"	433.150424	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-H"	-1.007276
"53214"	884.334671	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M-2H+NH4"	16.019271
"492773"	1318.492371	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M-2H+NH4"	16.019271
"868386"	450.176971	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-2H+NH4"	16.019271
"39567"	889.290066	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M-2H+Na"	20.974666
"474385"	1323.447766	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M-2H+Na"	20.974666
"851458"	455.132366	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-2H+Na"	20.974666
"1622084"	455.132366	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Na-2H"	20.974666
"108100"	451.138763	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M-H+Cl"	33.962126
"545837"	668.217613	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M-H+Cl"	33.962126
"936071"	234.059913	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-H+Cl"	33.962126
"271346"	903.284802	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+Cl"	34.969402
"661701"	1337.442502	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+Cl"	34.969402
"1273737"	469.127102	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Cl"	34.969402
"16293"	905.264006	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M-2H+K"	36.948606
"457556"	1339.421706	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M-2H+K"	36.948606
"834628"	471.106306	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-2H+K"	36.948606
"1557023"	471.106306	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+K-2H"	36.948606
"944540"	479.155894	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-H+HCOOH"	44.998194
"363119"	913.313601	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+HCOOH-H"	44.998201
"346275"	927.329251	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+Hac-H"	59.013851
"1493404"	493.171551	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Hac-H"	59.013851
"958997"	501.137851	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-H+NaCOOH"	66.980151
"110825"	469.127102	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+2Cl"	69.938804
"551237"	686.205952	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+2Cl"	69.938804
"1023196"	252.048252	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2Cl"	69.938804
"1242051"	513.076585	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Br"	78.918885
"1304862"	515.132572	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Cl+HCOOH"	80.974872
"1325286"	537.114529	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Cl+NaCOOH"	102.956829
"913061"	547.143286	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M-H+CF3COOH"	112.985586
"1288520"	583.119964	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Cl+CF3COOH"	148.962264
"1367686"	399.145024	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H-2H2O"	-35.012676
"1382758"	417.155	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H-H2O"	-17.0027
"283038"	869.322676	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+H"	1.007276
"677527"	1303.480376	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+H"	1.007276
"1351335"	435.164976	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H"	1.007276
"126285"	435.164976	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+2H"	2.014552
"566569"	652.243826	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+2H"	2.014552
"1037443"	218.086126	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2H"	2.014552
"205585"	290.445742666667	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+3H"	3.021828
"644372"	435.164976	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+3H"	3.021828
"1163144"	145.726509333333	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+3H"	3.021828
"424474"	886.349223	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+NH4"	18.033823
"790086"	1320.506923	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+NH4"	18.033823
"1683137"	452.191523	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+NH4"	18.033823
"333604"	443.6782495	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+H+NH4"	19.041099
"724929"	660.7570995	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+H+NH4"	19.041099
"1480209"	226.5993995	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H+NH4"	19.041099
"395971"	891.304618	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+Na"	22.989218
"755147"	1325.462318	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+Na"	22.989218
"1608714"	457.146918	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Na"	22.989218
"323125"	446.155947	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+H+Na"	23.996494
"717732"	663.234797	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+H+Na"	23.996494
"1472646"	229.077097	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H+Na"	23.996494
"1057143"	153.053823333333	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2H+Na"	25.00377
"1262109"	467.191186	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+CH3OH+H"	33.033486
"382873"	907.278558	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+K"	38.963158
"740950"	1341.436258	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+K"	38.963158
"1540817"	473.120858	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+K"	38.963158
"302011"	454.142917	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+H+K"	39.970434
"696257"	671.221767	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+H+K"	39.970434
"1451534"	237.064067	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H+K"	39.970434
"244515"	910.349226	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+ACN+H"	42.033826
"1218316"	476.191526	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+ACN+H"	42.033826
"1200013"	238.599401	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+ACN+2H"	43.041102
"197260"	913.28656	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+2Na-H"	44.97116
"636820"	1347.44426	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+2Na-H"	44.97116
"1137409"	479.12886	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2Na-H"	44.97116
"175961"	457.146918	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+2Na"	45.978436
"615277"	674.225768	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+2Na"	45.978436
"1119030"	240.068068	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2Na"	45.978436
"1405838"	160.381137333333	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H+2Na"	46.985712
"1439048"	481.170446	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H+HCOOH"	47.012746
"228747"	462.17994	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+3H2O+2H"	56.04448
"1515717"	495.22249	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+IsoProp+H"	61.06479
"409324"	465.133888	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+Na+K"	61.952376
"773116"	682.212738	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+Na+K"	61.952376
"1666159"	248.055038	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Na+K"	61.952376
"251830"	932.331168	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+ACN+Na"	64.015768
"1225875"	498.173468	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+ACN+Na"	64.015768
"1714884"	498.196993	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+NH4+HCOOH"	64.039293
"1178701"	167.708451333333	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+3Na"	68.967654
"1651223"	503.152388	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Na+HCOOH"	68.994688
"160769"	945.23444	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+2K-H"	76.91904
"599962"	1379.39214	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+2K-H"	76.91904
"1089218"	511.07674	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2K-H"	76.91904
"154786"	473.120858	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"2M+2K"	77.926316
"593252"	690.199708	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"3M+2K"	77.926316
"1075577"	256.042008	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2K"	77.926316
"1105503"	513.091292	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2K+H"	78.933592
"1338606"	513.178907	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+DMSO+H"	79.021207
"1018930"	517.218076	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2ACN+H"	83.060376
"1539001"	518.211708	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+IsoProp+Na+H"	84.054008
"1000469"	259.112676	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+2ACN+2H"	84.067652
"1596068"	519.126328	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+K+HCOOH"	84.968628
"1416258"	549.157838	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+H+CF3COOH"	115.000138
"1149830"	279.625951	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+3ACN+2H"	125.094202
"1700476"	566.184385	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+NH4+CF3COOH"	132.026685
"1638313"	571.13978	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+Na+CF3COOH"	136.98208
"1579431"	587.11372	"C09401"	"Eleganin"	"C22H26O9"	"434.1577"	"M+K+CF3COOH"	152.95602
"801896"	374.1366	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M"	0
"977859"	355.11821	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-H2O-H"	-19.01839
"64035"	248.417124	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M-3H"	-3.021828
"512227"	373.129324	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M-3H"	-3.021828
"892218"	123.704924	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-3H"	-3.021828
"11885"	373.129324	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M-2H"	-2.014552
"444883"	560.197624	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M-2H"	-2.014552
"825965"	186.061024	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-2H"	-2.014552
"83769"	747.265924	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M-H"	-1.007276
"529893"	1121.402524	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M-H"	-1.007276
"901132"	373.129324	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-H"	-1.007276
"53324"	764.292471	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M-2H+NH4"	16.019271
"490697"	1138.429071	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M-2H+NH4"	16.019271
"867765"	390.155871	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-2H+NH4"	16.019271
"37490"	769.247866	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M-2H+Na"	20.974666
"474860"	1143.384466	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M-2H+Na"	20.974666
"851204"	395.111266	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-2H+Na"	20.974666
"1622560"	395.111266	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Na-2H"	20.974666
"102013"	391.117663	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M-H+Cl"	33.962126
"545947"	578.185963	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M-H+Cl"	33.962126
"932901"	204.049363	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-H+Cl"	33.962126
"270363"	783.242602	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+Cl"	34.969402
"661811"	1157.379202	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+Cl"	34.969402
"1273520"	409.106002	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Cl"	34.969402
"15992"	785.221806	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M-2H+K"	36.948606
"455958"	1159.358406	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M-2H+K"	36.948606
"833117"	411.085206	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-2H+K"	36.948606
"1555993"	411.085206	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+K-2H"	36.948606
"943065"	419.134794	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-H+HCOOH"	44.998194
"361645"	793.271401	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+HCOOH-H"	44.998201
"346012"	807.287051	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+Hac-H"	59.013851
"1493024"	433.150451	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Hac-H"	59.013851
"958824"	441.116751	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-H+NaCOOH"	66.980151
"110933"	409.106002	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+2Cl"	69.938804
"551103"	596.174302	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+2Cl"	69.938804
"1022251"	222.037702	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2Cl"	69.938804
"1241631"	453.055485	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Br"	78.918885
"1304725"	455.111472	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Cl+HCOOH"	80.974872
"1322479"	477.093429	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Cl+NaCOOH"	102.956829
"913900"	487.122186	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M-H+CF3COOH"	112.985586
"1289510"	523.098864	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Cl+CF3COOH"	148.962264
"1368040"	339.123924	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H-2H2O"	-35.012676
"1383144"	357.1339	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H-H2O"	-17.0027
"283763"	749.280476	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+H"	1.007276
"675941"	1123.417076	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+H"	1.007276
"1351515"	375.143876	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H"	1.007276
"126882"	375.143876	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+2H"	2.014552
"566316"	562.212176	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+2H"	2.014552
"1037917"	188.075576	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2H"	2.014552
"205089"	250.431676	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+3H"	3.021828
"644402"	375.143876	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+3H"	3.021828
"1163171"	125.719476	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+3H"	3.021828
"424829"	766.307023	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+NH4"	18.033823
"789101"	1140.443623	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+NH4"	18.033823
"1681791"	392.170423	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+NH4"	18.033823
"332618"	383.6571495	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+H+NH4"	19.041099
"726861"	570.7254495	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+H+NH4"	19.041099
"1480320"	196.5888495	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H+NH4"	19.041099
"396082"	771.262418	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+Na"	22.989218
"756351"	1145.399018	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+Na"	22.989218
"1608825"	397.125818	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Na"	22.989218
"322142"	386.134847	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+H+Na"	23.996494
"719664"	573.203147	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+H+Na"	23.996494
"1473849"	199.066547	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H+Na"	23.996494
"1056160"	133.04679	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2H+Na"	25.00377
"1257473"	407.170086	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+CH3OH+H"	33.033486
"377161"	787.236358	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+K"	38.963158
"738518"	1161.372958	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+K"	38.963158
"1540021"	413.099758	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+K"	38.963158
"304311"	394.121817	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+H+K"	39.970434
"694910"	581.190117	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+H+K"	39.970434
"1451644"	207.053517	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H+K"	39.970434
"244625"	790.307026	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+ACN+H"	42.033826
"1218426"	416.170426	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+ACN+H"	42.033826
"1200123"	208.588851	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+ACN+2H"	43.041102
"198462"	793.24436	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+2Na-H"	44.97116
"634741"	1167.38096	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+2Na-H"	44.97116
"1134968"	419.10776	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2Na-H"	44.97116
"175218"	397.125818	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+2Na"	45.978436
"613928"	584.194118	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+2Na"	45.978436
"1119141"	210.057518	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2Na"	45.978436
"1405948"	140.374104	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H+2Na"	46.985712
"1439158"	421.149346	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H+HCOOH"	47.012746
"223391"	402.15884	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+3H2O+2H"	56.04448
"1513641"	435.20139	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+IsoProp+H"	61.06479
"411140"	405.112788	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+Na+K"	61.952376
"772134"	592.181088	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+Na+K"	61.952376
"1665906"	218.044488	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Na+K"	61.952376
"251583"	812.288968	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+ACN+Na"	64.015768
"1225864"	438.152368	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+ACN+Na"	64.015768
"1712926"	438.175893	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+NH4+HCOOH"	64.039293
"1179014"	147.701418	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+3Na"	68.967654
"1650604"	443.131288	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Na+HCOOH"	68.994688
"161608"	825.19224	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+2K-H"	76.91904
"599342"	1199.32884	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+2K-H"	76.91904
"1088235"	451.05564	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2K-H"	76.91904
"152709"	413.099758	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"2M+2K"	77.926316
"593362"	600.168058	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"3M+2K"	77.926316
"1075687"	226.031458	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2K"	77.926316
"1105613"	453.070192	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2K+H"	78.933592
"1338716"	453.157807	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+DMSO+H"	79.021207
"1017096"	457.196976	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2ACN+H"	83.060376
"1538503"	458.190608	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+IsoProp+Na+H"	84.054008
"1002767"	229.102126	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+2ACN+2H"	84.067652
"1596178"	459.105228	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+K+HCOOH"	84.968628
"1416368"	489.136738	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+H+CF3COOH"	115.000138
"1148846"	249.615401	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+3ACN+2H"	125.094202
"1704959"	506.163285	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+NH4+CF3COOH"	132.026685
"1639516"	511.11868	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+Na+CF3COOH"	136.98208
"1579541"	527.09262	"C09402"	"Elephantin"	"C20H22O7"	"374.1366"	"M+K+CF3COOH"	152.95602
"801501"	360.1209	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M"	0
"976876"	341.10251	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-H2O-H"	-19.01839
"64388"	239.073324	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M-3H"	-3.021828
"510151"	359.113624	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M-3H"	-3.021828
"891235"	119.033024	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-3H"	-3.021828
"9808"	359.113624	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M-2H"	-2.014552
"443900"	539.174074	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M-2H"	-2.014552
"821702"	179.053174	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-2H"	-2.014552
"81693"	719.234524	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M-H"	-1.007276
"530003"	1079.355424	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M-H"	-1.007276
"899056"	359.113624	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-H"	-1.007276
"50154"	736.261071	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M-2H+NH4"	16.019271
"490807"	1096.381971	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M-2H+NH4"	16.019271
"867511"	376.140171	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-2H+NH4"	16.019271
"36506"	741.216466	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M-2H+Na"	20.974666
"474241"	1101.337366	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M-2H+Na"	20.974666
"850585"	381.095566	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-2H+Na"	20.974666
"1621212"	381.095566	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Na-2H"	20.974666
"102123"	377.101963	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M-H+Cl"	33.962126
"546057"	557.162413	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M-H+Cl"	33.962126
"933011"	197.041513	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-H+Cl"	33.962126
"270473"	755.211202	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+Cl"	34.969402
"661800"	1115.332102	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+Cl"	34.969402
"1273346"	395.090302	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Cl"	34.969402
"15820"	757.190406	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M-2H+K"	36.948606
"455843"	1117.311306	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M-2H+K"	36.948606
"832799"	397.069506	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-2H+K"	36.948606
"1556187"	397.069506	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+K-2H"	36.948606
"944032"	405.119094	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-H+HCOOH"	44.998194
"363707"	765.240001	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+HCOOH-H"	44.998201
"347226"	779.255651	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+Hac-H"	59.013851
"1493501"	419.134751	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Hac-H"	59.013851
"958625"	427.101051	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-H+NaCOOH"	66.980151
"110801"	395.090302	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+2Cl"	69.938804
"551704"	575.150752	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+2Cl"	69.938804
"1022689"	215.029852	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2Cl"	69.938804
"1241942"	439.039785	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Br"	78.918885
"1307631"	441.095772	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Cl+HCOOH"	80.974872
"1326235"	463.077729	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Cl+NaCOOH"	102.956829
"914010"	473.106486	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M-H+CF3COOH"	112.985586
"1288647"	509.083164	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Cl+CF3COOH"	148.962264
"1368514"	325.108224	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H-2H2O"	-35.012676
"1382846"	343.1182	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H-H2O"	-17.0027
"283060"	721.249076	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+H"	1.007276
"676249"	1081.369976	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+H"	1.007276
"1352516"	361.128176	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H"	1.007276
"126020"	361.128176	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+2H"	2.014552
"567640"	541.188626	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+2H"	2.014552
"1038634"	181.067726	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2H"	2.014552
"205563"	241.087876	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+3H"	3.021828
"645728"	361.128176	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+3H"	3.021828
"1163726"	121.047576	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+3H"	3.021828
"425668"	738.275623	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+NH4"	18.033823
"789576"	1098.396523	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+NH4"	18.033823
"1684451"	378.154723	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+NH4"	18.033823
"333093"	369.6414495	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+H+NH4"	19.041099
"728795"	549.7018995	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+H+NH4"	19.041099
"1481160"	189.5809995	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H+NH4"	19.041099
"397652"	743.231018	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+Na"	22.989218
"758648"	1103.351918	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+Na"	22.989218
"1610030"	383.110118	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Na"	22.989218
"324439"	372.119147	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+H+Na"	23.996494
"719045"	552.179597	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+H+Na"	23.996494
"1471771"	192.058697	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H+Na"	23.996494
"1054814"	128.37489	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2H+Na"	25.00377
"1258313"	393.154386	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+CH3OH+H"	33.033486
"377698"	759.204958	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+K"	38.963158
"738735"	1119.325858	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+K"	38.963158
"1540088"	399.084058	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+K"	38.963158
"298653"	380.106117	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+H+K"	39.970434
"694656"	560.166567	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+H+K"	39.970434
"1447016"	200.045667	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H+K"	39.970434
"245828"	762.275626	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+ACN+H"	42.033826
"1218536"	402.154726	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+ACN+H"	42.033826
"1200232"	201.581001	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+ACN+2H"	43.041102
"197479"	765.21296	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+2Na-H"	44.97116
"633758"	1125.33386	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+2Na-H"	44.97116
"1134712"	405.09206	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2Na-H"	44.97116
"175087"	383.110118	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+2Na"	45.978436
"614038"	563.170568	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+2Na"	45.978436
"1120344"	203.049668	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2Na"	45.978436
"1407151"	135.702204	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H+2Na"	46.985712
"1438904"	407.133646	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H+HCOOH"	47.012746
"225688"	388.14314	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+3H2O+2H"	56.04448
"1513750"	421.18569	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+IsoProp+H"	61.06479
"409427"	391.097088	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+Na+K"	61.952376
"771879"	571.157538	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+Na+K"	61.952376
"1666747"	211.036638	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Na+K"	61.952376
"252167"	784.257568	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+ACN+Na"	64.015768
"1225848"	424.136668	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+ACN+Na"	64.015768
"1712876"	424.160193	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+NH4+HCOOH"	64.039293
"1179855"	143.029518	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+3Na"	68.967654
"1650268"	429.115588	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Na+HCOOH"	68.994688
"163176"	797.16084	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+2K-H"	76.91904
"599453"	1157.28174	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+2K-H"	76.91904
"1088345"	437.03994	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2K-H"	76.91904
"155006"	399.084058	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"2M+2K"	77.926316
"592379"	579.144508	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"3M+2K"	77.926316
"1075797"	219.023608	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2K"	77.926316
"1105723"	439.054492	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2K+H"	78.933592
"1338826"	439.142107	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+DMSO+H"	79.021207
"1012830"	443.181276	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2ACN+H"	83.060376
"1539342"	444.174908	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+IsoProp+Na+H"	84.054008
"1004941"	222.094276	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+2ACN+2H"	84.067652
"1596288"	445.089528	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+K+HCOOH"	84.968628
"1416481"	475.121038	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+H+CF3COOH"	115.000138
"1147253"	242.607551	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+3ACN+2H"	125.094202
"1700697"	492.147585	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+NH4+CF3COOH"	132.026685
"1641814"	497.10298	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+Na+CF3COOH"	136.98208
"1579651"	513.07692	"C09403"	"Elephantopin"	"C19H20O7"	"360.1209"	"M+K+CF3COOH"	152.95602
"801872"	244.1099	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M"	0
"976986"	225.09151	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-H2O-H"	-19.01839
"63440"	161.732657333333	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M-3H"	-3.021828
"510261"	243.102624	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M-3H"	-3.021828
"893532"	80.3626906666667	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-3H"	-3.021828
"8825"	243.102624	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M-2H"	-2.014552
"444010"	365.157574	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M-2H"	-2.014552
"822905"	121.047674	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-2H"	-2.014552
"81803"	487.212524	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M-H"	-1.007276
"529020"	731.322424	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M-H"	-1.007276
"902445"	243.102624	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-H"	-1.007276
"50264"	504.239071	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M-2H+NH4"	16.019271
"490917"	748.348971	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M-2H+NH4"	16.019271
"866529"	260.129171	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-2H+NH4"	16.019271
"35523"	509.194466	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M-2H+Na"	20.974666
"472895"	753.304366	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M-2H+Na"	20.974666
"849603"	265.084566	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-2H+Na"	20.974666
"1619137"	265.084566	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Na-2H"	20.974666
"102233"	261.090963	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M-H+Cl"	33.962126
"545074"	383.145913	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M-H+Cl"	33.962126
"933121"	139.036013	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-H+Cl"	33.962126
"270583"	523.189202	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+Cl"	34.969402
"661910"	767.299102	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+Cl"	34.969402
"1273700"	279.079302	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Cl"	34.969402
"15810"	525.168406	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M-2H+K"	36.948606
"455722"	769.278306	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M-2H+K"	36.948606
"833175"	281.058506	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-2H+K"	36.948606
"1556259"	281.058506	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+K-2H"	36.948606
"944507"	289.108094	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-H+HCOOH"	44.998194
"361751"	533.218001	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+HCOOH-H"	44.998201
"346159"	547.233651	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+Hac-H"	59.013851
"1493489"	303.123751	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Hac-H"	59.013851
"959206"	311.090051	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-H+NaCOOH"	66.980151
"111883"	279.079302	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+2Cl"	69.938804
"551080"	401.134252	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+2Cl"	69.938804
"1022433"	157.024352	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2Cl"	69.938804
"1241771"	323.028785	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Br"	78.918885
"1305919"	325.084772	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Cl+HCOOH"	80.974872
"1323429"	347.066729	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Cl+NaCOOH"	102.956829
"912297"	357.095486	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M-H+CF3COOH"	112.985586
"1288717"	393.072164	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Cl+CF3COOH"	148.962264
"1368260"	209.097224	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H-2H2O"	-35.012676
"1384298"	227.1072	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H-H2O"	-17.0027
"285442"	489.227076	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+H"	1.007276
"676161"	733.336976	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+H"	1.007276
"1352877"	245.117176	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H"	1.007276
"125760"	245.117176	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+2H"	2.014552
"565823"	367.172126	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+2H"	2.014552
"1039354"	123.062226	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2H"	2.014552
"206162"	163.747209333333	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+3H"	3.021828
"645231"	245.117176	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+3H"	3.021828
"1164693"	82.3772426666667	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+3H"	3.021828
"426143"	506.253623	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+NH4"	18.033823
"788593"	750.363523	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+NH4"	18.033823
"1683468"	262.143723	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+NH4"	18.033823
"333204"	253.6304495	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+H+NH4"	19.041099
"728177"	375.6853995	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+H+NH4"	19.041099
"1482365"	131.5754995	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H+NH4"	19.041099
"397764"	511.209018	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+Na"	22.989218
"760946"	755.318918	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+Na"	22.989218
"1610137"	267.099118	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Na"	22.989218
"325642"	256.108147	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+H+Na"	23.996494
"722193"	378.163097	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+H+Na"	23.996494
"1470788"	134.053197	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H+Na"	23.996494
"1057476"	89.7045566666667	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2H+Na"	25.00377
"1258789"	277.143386	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+CH3OH+H"	33.033486
"377731"	527.182958	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+K"	38.963158
"740181"	771.292858	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+K"	38.963158
"1540780"	283.073058	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+K"	38.963158
"300025"	264.095117	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+H+K"	39.970434
"693296"	386.150067	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+H+K"	39.970434
"1447482"	142.040167	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H+K"	39.970434
"244845"	530.253626	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+ACN+H"	42.033826
"1217553"	286.143726	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+ACN+H"	42.033826
"1198154"	143.575501	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+ACN+2H"	43.041102
"196495"	533.19096	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+2Na-H"	44.97116
"632775"	777.30086	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+2Na-H"	44.97116
"1137373"	289.08106	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2Na-H"	44.97116
"174348"	267.099118	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+2Na"	45.978436
"614392"	389.154068	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+2Na"	45.978436
"1120455"	145.044168	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2Na"	45.978436
"1406168"	97.0318706666667	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H+2Na"	46.985712
"1432816"	291.122646	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H+HCOOH"	47.012746
"224705"	272.13214	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+3H2O+2H"	56.04448
"1513860"	305.17469	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+IsoProp+H"	61.06479
"409173"	275.086088	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+Na+K"	61.952376
"770283"	397.141038	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+Na+K"	61.952376
"1666003"	153.031138	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Na+K"	61.952376
"251444"	552.235568	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+ACN+Na"	64.015768
"1225646"	308.125668	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+ACN+Na"	64.015768
"1713750"	308.149193	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+NH4+HCOOH"	64.039293
"1178953"	104.359184666667	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+3Na"	68.967654
"1649930"	313.104588	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Na+HCOOH"	68.994688
"163287"	565.13884	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+2K-H"	76.91904
"599200"	809.24874	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+2K-H"	76.91904
"1090642"	321.02894	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2K-H"	76.91904
"154023"	283.073058	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"2M+2K"	77.926316
"594675"	405.128008	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"3M+2K"	77.926316
"1075907"	161.018108	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2K"	77.926316
"1105833"	323.043492	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2K+H"	78.933592
"1338937"	323.131107	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+DMSO+H"	79.021207
"1011842"	327.170276	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2ACN+H"	83.060376
"1537265"	328.163908	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+IsoProp+Na+H"	84.054008
"1003715"	164.088776	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+2ACN+2H"	84.067652
"1595303"	329.078528	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+K+HCOOH"	84.968628
"1418778"	359.110038	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+H+CF3COOH"	115.000138
"1150160"	184.602051	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+3ACN+2H"	125.094202
"1706274"	376.136585	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+NH4+CF3COOH"	132.026685
"1648484"	381.09198	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+Na+CF3COOH"	136.98208
"1579761"	397.06592	"C09404"	"Encelin"	"C15H16O3"	"244.1099"	"M+K+CF3COOH"	152.95602
"803197"	464.1682	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M"	0
"977096"	445.14981	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-H2O-H"	-19.01839
"69710"	308.438190666667	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M-3H"	-3.021828
"510371"	463.160924	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M-3H"	-3.021828
"891455"	153.715457333333	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-3H"	-3.021828
"8935"	463.160924	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M-2H"	-2.014552
"441445"	695.245024	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M-2H"	-2.014552
"820828"	231.076824	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-2H"	-2.014552
"81912"	927.329124	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M-H"	-1.007276
"530223"	1391.497324	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M-H"	-1.007276
"905837"	463.160924	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-H"	-1.007276
"56936"	944.355671	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M-2H+NH4"	16.019271
"491027"	1408.523871	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M-2H+NH4"	16.019271
"869919"	480.187471	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-2H+NH4"	16.019271
"37820"	949.311066	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M-2H+Na"	20.974666
"477379"	1413.479266	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M-2H+Na"	20.974666
"852994"	485.142866	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-2H+Na"	20.974666
"1622527"	485.142866	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Na-2H"	20.974666
"108540"	481.149263	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M-H+Cl"	33.962126
"546277"	713.233363	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M-H+Cl"	33.962126
"936511"	249.065163	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-H+Cl"	33.962126
"270693"	963.305802	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+Cl"	34.969402
"662386"	1427.474002	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+Cl"	34.969402
"1275879"	499.137602	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Cl"	34.969402
"19166"	965.285006	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M-2H+K"	36.948606
"459820"	1429.453206	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M-2H+K"	36.948606
"835069"	501.116806	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-2H+K"	36.948606
"1556125"	501.116806	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+K-2H"	36.948606
"945713"	509.166394	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-H+HCOOH"	44.998194
"362835"	973.334601	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+HCOOH-H"	44.998201
"347081"	987.350251	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+Hac-H"	59.013851
"1494452"	523.182051	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Hac-H"	59.013851
"960536"	531.148351	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-H+NaCOOH"	66.980151
"111994"	499.137602	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+2Cl"	69.938804
"551554"	731.221702	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+2Cl"	69.938804
"1023633"	267.053502	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2Cl"	69.938804
"1242366"	543.087085	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Br"	78.918885
"1304570"	545.143072	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Cl+HCOOH"	80.974872
"1323538"	567.125029	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Cl+NaCOOH"	102.956829
"911675"	577.153786	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M-H+CF3COOH"	112.985586
"1288531"	613.130464	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Cl+CF3COOH"	148.962264
"1368126"	429.155524	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H-2H2O"	-35.012676
"1383434"	447.1655	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H-H2O"	-17.0027
"285550"	929.343676	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+H"	1.007276
"676148"	1393.511876	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+H"	1.007276
"1352136"	465.175476	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H"	1.007276
"125720"	465.175476	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+2H"	2.014552
"566648"	697.259576	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+2H"	2.014552
"1038857"	233.091376	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2H"	2.014552
"206029"	310.452742666667	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+3H"	3.021828
"646679"	465.175476	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+3H"	3.021828
"1165898"	155.730009333333	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+3H"	3.021828
"428074"	946.370223	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+NH4"	18.033823
"790162"	1410.538423	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+NH4"	18.033823
"1683579"	482.202023	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+NH4"	18.033823
"333317"	473.6887495	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+H+NH4"	19.041099
"727924"	705.7728495	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+H+NH4"	19.041099
"1482475"	241.6046495	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H+NH4"	19.041099
"398968"	951.325618	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+Na"	22.989218
"755708"	1415.493818	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+Na"	22.989218
"1604779"	487.157418	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Na"	22.989218
"321377"	476.166447	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+H+Na"	23.996494
"715987"	708.250547	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+H+Na"	23.996494
"1467618"	244.082347	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H+Na"	23.996494
"1057585"	163.057323333333	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2H+Na"	25.00377
"1257680"	497.201686	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+CH3OH+H"	33.033486
"377717"	967.299558	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+K"	38.963158
"738957"	1431.467758	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+K"	38.963158
"1541132"	503.131358	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+K"	38.963158
"299279"	484.153417	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+H+K"	39.970434
"692312"	716.237517	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+H+K"	39.970434
"1446862"	252.069317	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H+K"	39.970434
"248238"	970.370226	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+ACN+H"	42.033826
"1218756"	506.202026	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+ACN+H"	42.033826
"1197171"	253.604651	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+ACN+2H"	43.041102
"197699"	973.30756	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+2Na-H"	44.97116
"636166"	1437.47576	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+2Na-H"	44.97116
"1136391"	509.13936	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2Na-H"	44.97116
"174337"	487.157418	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+2Na"	45.978436
"617058"	719.241518	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+2Na"	45.978436
"1122753"	255.073318	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2Na"	45.978436
"1407373"	170.384637333333	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H+2Na"	46.985712
"1432926"	511.180946	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H+HCOOH"	47.012746
"225908"	492.19044	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+3H2O+2H"	56.04448
"1515064"	525.23299	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+IsoProp+H"	61.06479
"413656"	495.144388	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+Na+K"	61.952376
"775744"	727.228488	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+Na+K"	61.952376
"1666967"	263.060288	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Na+K"	61.952376
"252148"	992.352168	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+ACN+Na"	64.015768
"1225763"	528.183968	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+ACN+Na"	64.015768
"1713625"	528.207493	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+NH4+HCOOH"	64.039293
"1181534"	177.711951333333	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+3Na"	68.967654
"1651058"	533.162888	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Na+HCOOH"	68.994688
"163399"	1005.25544	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+2K-H"	76.91904
"608426"	1469.42364	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+2K-H"	76.91904
"1094033"	541.08724	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2K-H"	76.91904
"155226"	503.131358	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"2M+2K"	77.926316
"591505"	735.215458	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"3M+2K"	77.926316
"1079297"	271.047258	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2K"	77.926316
"1109225"	543.101792	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2K+H"	78.933592
"1342330"	543.189407	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+DMSO+H"	79.021207
"1015233"	547.228576	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2ACN+H"	83.060376
"1533357"	548.222208	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+IsoProp+Na+H"	84.054008
"1003460"	274.117926	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+2ACN+2H"	84.067652
"1598693"	549.136828	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+K+HCOOH"	84.968628
"1421076"	579.168338	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+H+CF3COOH"	115.000138
"1153550"	294.631201	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+3ACN+2H"	125.094202
"1707478"	596.194885	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+NH4+CF3COOH"	132.026685
"1647501"	601.15028	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+Na+CF3COOH"	136.98208
"1579871"	617.12422	"C09405"	"Enhydrin"	"C23H28O10"	"464.1682"	"M+K+CF3COOH"	152.95602
"802944"	230.1307	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M"	0
"977206"	211.11231	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"66540"	152.413190666667	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"510481"	229.123424	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"888283"	75.7029573333333	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"5764"	229.123424	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"441676"	344.188774	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"818021"	114.058074	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"78861"	459.254124	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"530333"	689.384824	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"909229"	229.123424	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"52671"	476.280671	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"494416"	706.411371	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"871124"	246.149971	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"40117"	481.236066	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"480769"	711.366766	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"853104"	251.105366	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1622637"	251.105366	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"107921"	247.111763	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"545294"	362.177113	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"936621"	132.046413	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"271896"	495.230802	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"663589"	725.361502	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1276717"	265.100102	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"19276"	497.210006	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"463210"	727.340706	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"837366"	267.079306	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1563407"	267.079306	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"946914"	275.128894	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"364401"	505.259601	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"349013"	519.275251	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1496022"	289.144551	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"961741"	297.110851	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"112835"	265.100102	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"552032"	380.165452	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1025931"	150.034752	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1242964"	309.049585	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1306142"	311.105572	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1320963"	333.087529	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"911502"	343.116286	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1288734"	379.092964	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1369574"	195.118024	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1383544"	213.128	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"284567"	461.268676	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"677717"	691.399376	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1351877"	231.137976	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"125982"	231.137976	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"566228"	346.203326	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1038967"	116.072626	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"205775"	154.427742666667	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"645332"	231.137976	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1165645"	77.7175093333333	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"426369"	478.295223	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"789181"	708.425923	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1684057"	248.164523	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"336343"	239.6512495	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"727670"	354.7165995	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1482584"	124.5858995	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"400171"	483.250618	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"760072"	713.381318	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1610358"	253.119918	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"322581"	242.128947	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"719012"	357.194297	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1471010"	127.063597	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1060975"	85.0448233333333	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1261560"	263.164186	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"379168"	499.224558	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"742229"	729.355258	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1544282"	269.093858	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"303647"	250.115917	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"695702"	365.181267	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1449888"	135.050567	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"245069"	502.295226	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1215586"	272.164526	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1198738"	136.585901	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"198904"	505.23256	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"632996"	735.36326	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1134316"	275.10186	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"176513"	253.119918	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"614130"	368.185268	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1122863"	138.054568	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1407483"	92.3721373333333	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1434129"	277.143446	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"229299"	258.15294	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1514081"	291.19549	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"412672"	261.106888	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"772574"	376.172238	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1667442"	146.041538	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"252501"	524.277168	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1226305"	294.146468	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1713005"	294.169993	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1179088"	99.6994513333333	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1650804"	299.125388	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"158399"	537.18044	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"598691"	767.31114	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1086482"	307.04974	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"143667"	269.093858	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"587240"	384.159208	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1072116"	154.028508	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1106055"	309.064292	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1339160"	309.151907	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1010970"	313.191076	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1529095"	314.184708	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"996640"	157.099176	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1598803"	315.099328	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1423373"	345.130838	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1153660"	177.612451	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1707588"	362.157385	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1647611"	367.11278	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1579981"	383.08672	"C09406"	"Eremanthin"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"810345"	348.1573	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M"	0
"978409"	329.13891	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"67743"	231.097590666667	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"504393"	347.150024	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"889486"	115.045157333333	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"5874"	347.150024	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"442879"	521.228674	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"818860"	173.071374	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"79333"	695.307324	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"523882"	1043.464624	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"904964"	347.150024	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"50591"	712.333871	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"489786"	1060.491171	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"867223"	364.176571	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"35121"	717.289266	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"474072"	1065.446566	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"851391"	369.131966	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1619828"	369.131966	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"105843"	365.138363	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"538842"	539.217013	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"928709"	191.059713	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"269084"	731.284002	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"662240"	1079.441302	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1273912"	383.126702	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"17197"	733.263206	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"455778"	1081.420506	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"833340"	385.105906	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1561330"	385.105906	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"943377"	393.155494	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"361837"	741.312801	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"345722"	755.328451	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1493214"	407.171151	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"958537"	415.137451	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"110099"	383.126702	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"553600"	557.205352	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1022032"	209.048052	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1243075"	427.076185	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1306253"	429.132172	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1320035"	451.114129	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"911887"	461.142886	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1288798"	497.119564	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1368347"	313.144624	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1383046"	331.1546	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"283947"	697.321876	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"677462"	1045.479176	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1351661"	349.164576	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"125888"	349.164576	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"566056"	523.243226	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1037204"	175.085926	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"204909"	233.112142666667	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"645806"	349.164576	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1163687"	117.059709333333	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"426110"	714.348423	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"789292"	1062.505723	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1683071"	366.191123	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"332808"	357.6778495	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"726688"	531.7564995	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1481602"	183.5991995	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"399187"	719.303818	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"757995"	1067.461118	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1609374"	371.146518	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"321598"	360.155547	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"717299"	534.234197	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1468933"	186.076897	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1058897"	124.387023333333	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1258392"	381.190786	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"377282"	735.277758	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"740151"	1083.435058	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1540257"	387.120458	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"301935"	368.142517	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"692900"	542.221167	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1446718"	194.063867	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"244085"	738.348426	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1216790"	390.191126	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1198484"	195.599201	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"194638"	741.28576	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"634200"	1089.44306	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1134788"	393.12846	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"176622"	371.146518	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"614240"	545.225168	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1116285"	197.067868	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1401148"	131.714337333333	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1433144"	395.170046	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"228316"	376.17954	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1517471"	409.22209	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"411689"	379.133488	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"772684"	553.212138	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1667429"	205.054838	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"252003"	760.330368	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1226901"	412.173068	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1713478"	412.196593	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1180291"	139.041651333333	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1651642"	417.151988	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"159601"	773.23364	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"599285"	1121.39094	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1086591"	425.07634	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"144870"	387.120458	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"587350"	561.199108	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1074048"	213.041808	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1107258"	427.090892	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1339270"	427.178507	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1011080"	431.217676	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1531391"	432.211308	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"993470"	216.112476	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1598913"	433.125928	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1423483"	463.157438	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1158145"	236.625751	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1707698"	480.183985	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1649426"	485.13938	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1580091"	501.11332	"C09407"	"Eremantholide A;Eremantholide"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"810455"	232.1463	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M"	0
"978519"	213.12791	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"70040"	153.756924	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"506323"	231.139024	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"886316"	76.374824	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"3064"	231.139024	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"443354"	347.212174	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"817222"	115.065874	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"79326"	463.285324	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"530553"	695.431624	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"907264"	231.139024	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"59449"	480.311871	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"488801"	712.458171	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"870250"	248.165571	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"33776"	485.267266	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"472241"	717.413566	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"858792"	253.120966	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1620306"	253.120966	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"105953"	249.127363	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"537859"	365.200513	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"928212"	133.054213	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"269930"	499.262002	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"663443"	731.408302	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1275847"	267.115702	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"17309"	501.241206	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"457356"	733.387506	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"836859"	269.094906	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1557674"	269.094906	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"947139"	277.144494	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"361706"	509.290801	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"347414"	523.306451	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1493042"	291.160151	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"959773"	299.126451	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"110019"	267.115702	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"550110"	383.188852	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1022875"	151.042552	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1244644"	311.065185	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1304210"	313.121172	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1319956"	335.103129	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"911878"	345.131886	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1288481"	381.108564	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1368700"	197.133624	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1384010"	215.1436	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"286978"	465.299876	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"679764"	697.446176	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1352220"	233.153576	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"125865"	233.153576	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"565801"	349.226726	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1037077"	117.080426	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"205266"	155.771476	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"645315"	233.153576	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1163070"	78.389376	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"424357"	482.326423	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"785731"	714.472723	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1682449"	250.180123	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"330403"	241.6668495	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"723516"	357.7399995	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1477030"	125.5936995	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"393951"	487.281818	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"760294"	719.428118	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1607298"	255.135518	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"316241"	244.144547	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"716317"	360.217697	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1465764"	128.071397	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1060104"	85.71669	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1257061"	265.179786	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"377685"	503.255758	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"739897"	735.402058	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1541949"	271.109458	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"302045"	252.131517	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"693373"	368.204667	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1448288"	136.058367	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"248569"	506.326426	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1220183"	274.180126	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1206253"	137.593701	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"199124"	509.26376	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"634310"	741.41006	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1136721"	277.11746	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"177825"	255.135518	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"614350"	371.208668	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1123082"	139.062368	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1404418"	93.044004	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1433253"	279.159046	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"230613"	260.16854	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1516488"	293.21109	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"415081"	263.122488	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"774983"	379.195638	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1667175"	147.049338	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"253209"	528.308368	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1227620"	296.162068	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1715052"	296.185593	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1179318"	100.371318	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1650788"	301.140988	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"165916"	541.21164	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"603289"	773.35794	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1088891"	309.06534	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"144616"	271.109458	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"589648"	387.182608	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1076347"	155.036308	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1109556"	311.079892	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1348129"	311.167507	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1016660"	315.206676	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1535879"	316.200308	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"1002328"	158.106976	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1596833"	317.114928	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1417032"	347.146438	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1157161"	178.620251	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1709993"	364.172985	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1647470"	369.12838	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1580201"	385.10232	"C09408"	"Eremofrullanolide"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"810565"	234.162	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M"	0
"978629"	215.14361	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"69058"	155.100724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"504612"	233.154724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"886426"	77.046724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"623"	233.154724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"440913"	350.235724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"817112"	116.073724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"79436"	467.316724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"524102"	701.478724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"905186"	233.154724	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"56279"	484.343271	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"498025"	718.505271	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"873640"	250.181271	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"34250"	489.298666	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"475633"	723.460666	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"853436"	255.136666	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1620782"	255.136666	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"103877"	251.143063	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"539062"	368.224063	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"927837"	134.062063	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"271133"	503.293402	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"662825"	737.455402	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1274499"	269.131402	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"16687"	505.272606	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"455680"	739.434606	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"833157"	271.110606	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1557543"	271.110606	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"944332"	279.160194	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"364006"	513.322201	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"347889"	527.337851	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1494167"	293.175851	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"959520"	301.142151	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"110371"	269.131402	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"549973"	386.212402	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1023349"	152.050402	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1242202"	313.080885	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1304244"	315.136872	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1322880"	337.118829	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"914668"	347.147586	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1291015"	383.124264	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1368448"	199.149324	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1385214"	217.1593	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"284048"	469.331276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"679146"	703.493276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1351851"	235.169276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H"	1.007276
"125834"	235.169276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"566237"	352.250276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1037830"	118.088276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"206839"	157.115276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"648585"	235.169276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1165617"	79.061276	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"426701"	486.357823	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"785684"	720.519823	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1681833"	252.195823	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"330596"	243.6825495	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"725084"	360.7635495	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1478661"	126.6015495	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"394546"	491.313218	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"757850"	725.475218	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1610688"	257.151218	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"320726"	246.160247	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"715335"	363.241247	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1466970"	129.079247	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1058028"	86.38859	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1257396"	267.195486	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"377674"	507.287158	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"740008"	741.449158	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1543881"	273.125158	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+K"	38.963158
"303248"	254.147217	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"693847"	371.228217	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1448761"	137.066217	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"247586"	510.357826	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1220293"	276.195826	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1206363"	138.601551	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"199234"	513.29516	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"631140"	747.45716	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1135738"	279.13316	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"176842"	257.151218	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"614218"	374.232218	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1117720"	140.070218	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1401248"	93.715904	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1431540"	281.174746	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"228536"	262.18424	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1518784"	295.22679	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"411545"	265.138188	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"776186"	382.219188	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1665744"	148.057188	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"252836"	532.339768	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1225908"	298.177768	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1713335"	298.201293	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1179428"	101.043218	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1651141"	303.156688	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"161651"	545.24304	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"604492"	779.40504	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1089001"	311.08104	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"146915"	273.125158	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"588666"	390.206158	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1079739"	156.044158	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1111856"	313.095592	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1349334"	313.183207	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1017865"	317.222376	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1533802"	318.216008	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"996969"	159.114826	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1596943"	319.130628	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1420421"	349.162138	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1157271"	179.628101	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1710103"	366.188685	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1646851"	371.14408	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1580311"	387.11802	"C09409"	"Eremophilenolide"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"809582"	327.1471	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M"	0
"977646"	308.12871	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"70261"	217.090790666667	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"504359"	326.139824	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"886536"	108.041757333333	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"1098"	326.139824	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"440067"	489.713374	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"817147"	162.566274	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"79179"	653.286924	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"519836"	980.434024	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"902014"	326.139824	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"57481"	670.313471	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"492668"	997.460571	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"875937"	343.166371	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"40557"	675.268866	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"481211"	1002.415966	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"855735"	348.121766	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1623081"	348.121766	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"97425"	344.128163	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"539171"	507.701713	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"930499"	180.554613	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"271243"	689.263602	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"661842"	1016.410702	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1276068"	362.116502	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"16677"	691.242806	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"455709"	1018.389906	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"833101"	364.095706	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1555908"	364.095706	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"942851"	372.145294	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"361969"	699.292401	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"347634"	713.308051	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1496100"	386.160951	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"965100"	394.127251	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"114008"	362.116502	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"553568"	525.690052	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1022368"	198.542952	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1242069"	406.065985	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1304758"	408.121972	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1320233"	430.103929	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"911384"	440.132686	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1288488"	476.109364	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1367333"	292.134424	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1383497"	310.1444	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"283543"	655.301476	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"676944"	982.448576	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1352324"	328.154376	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"126794"	328.154376	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"566269"	491.727926	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1037943"	164.580826	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"208042"	219.105342666667	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"648695"	328.154376	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1165727"	110.056309333333	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"426811"	672.328023	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"786588"	999.475123	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1683157"	345.180923	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"332046"	336.6676495	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"725195"	500.2411995	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1477803"	173.0940995	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"394780"	677.283418	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"761606"	1004.430518	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1614078"	350.136318	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"324118"	339.145347	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"711071"	502.718897	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1462830"	175.571797	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1058140"	117.383623333333	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1263098"	360.180586	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"380945"	693.257358	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"743763"	1020.404458	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1551282"	366.110258	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"310647"	347.132317	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"696145"	510.705867	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1450328"	183.558767	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"240388"	696.328026	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1215283"	369.180926	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1199175"	185.094101	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"193139"	699.26536	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"632698"	1026.41246	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1136569"	372.11826	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"177311"	350.136318	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"619790"	513.709868	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1121108"	186.562768	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1405724"	124.710937333333	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1439298"	374.159846	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"221832"	355.16934	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1509042"	388.21189	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"409214"	358.123288	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"770941"	521.696838	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1667155"	194.549738	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"252008"	718.309968	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1226376"	391.162868	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1714046"	391.186393	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1179525"	132.038251333333	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1651241"	396.141788	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"158101"	731.21324	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"598023"	1058.36034	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1084843"	404.06614	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"144103"	366.110258	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"587677"	529.683808	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1075470"	202.536708	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1110869"	406.080692	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1342882"	406.168307	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1016881"	410.207476	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1530631"	411.201108	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"998171"	205.607376	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1594866"	412.115728	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1418345"	442.147238	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1157381"	226.120651	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1710213"	459.173785	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1648419"	464.12918	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1580421"	480.10312	"C09410"	"Cularimine"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"810785"	341.1627	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M"	0
"978849"	322.14431	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-H2O-H"	-19.01839
"70371"	226.434524	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M-3H"	-3.021828
"504469"	340.155424	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M-3H"	-3.021828
"886646"	112.713624	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-3H"	-3.021828
"1572"	340.155424	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M-2H"	-2.014552
"440887"	510.736774	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M-2H"	-2.014552
"819296"	169.574074	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-2H"	-2.014552
"80746"	681.318124	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M-H"	-1.007276
"519946"	1022.480824	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M-H"	-1.007276
"902124"	340.155424	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-H"	-1.007276
"57591"	698.344671	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M-2H+NH4"	16.019271
"492778"	1039.507371	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M-2H+NH4"	16.019271
"876047"	357.181971	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-2H+NH4"	16.019271
"40667"	703.300066	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M-2H+Na"	20.974666
"481321"	1044.462766	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M-2H+Na"	20.974666
"855845"	362.137366	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-2H+Na"	20.974666
"1622097"	362.137366	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Na-2H"	20.974666
"98628"	358.143763	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M-H+Cl"	33.962126
"539281"	528.725113	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M-H+Cl"	33.962126
"931702"	187.562413	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-H+Cl"	33.962126
"271353"	717.294802	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+Cl"	34.969402
"664868"	1058.457502	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+Cl"	34.969402
"1275083"	376.132102	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Cl"	34.969402
"17639"	719.274006	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M-2H+K"	36.948606
"456831"	1060.436706	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M-2H+K"	36.948606
"833906"	378.111306	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-2H+K"	36.948606
"1557763"	378.111306	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+K-2H"	36.948606
"945647"	386.160894	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-H+HCOOH"	44.998194
"364224"	727.323601	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+HCOOH-H"	44.998201
"347744"	741.339251	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+Hac-H"	59.013851
"1496210"	400.176551	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Hac-H"	59.013851
"962657"	408.142851	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-H+NaCOOH"	66.980151
"114117"	376.132102	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+2Cl"	69.938804
"553314"	546.713452	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+2Cl"	69.938804
"1024664"	205.550752	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2Cl"	69.938804
"1242541"	420.081585	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Br"	78.918885
"1307056"	422.137572	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Cl+HCOOH"	80.974872
"1320013"	444.119529	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Cl+NaCOOH"	102.956829
"911969"	454.148286	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M-H+CF3COOH"	112.985586
"1289773"	490.124964	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Cl+CF3COOH"	148.962264
"1367934"	306.150024	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H-2H2O"	-35.012676
"1383042"	324.16	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H-H2O"	-17.0027
"282842"	683.332676	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+H"	1.007276
"675792"	1024.495376	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+H"	1.007276
"1351621"	342.169976	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H"	1.007276
"126660"	342.169976	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+2H"	2.014552
"566094"	512.751326	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+2H"	2.014552
"1037328"	171.588626	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2H"	2.014552
"209245"	228.449076	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+3H"	3.021828
"649898"	342.169976	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+3H"	3.021828
"1169117"	114.728176	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+3H"	3.021828
"429108"	700.359223	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+NH4"	18.033823
"786091"	1041.521923	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+NH4"	18.033823
"1682780"	359.196523	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+NH4"	18.033823
"331423"	350.6832495	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+H+NH4"	19.041099
"723602"	521.2645995	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+H+NH4"	19.041099
"1477909"	180.1018995	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H+NH4"	19.041099
"393309"	705.314618	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+Na"	22.989218
"759529"	1046.477318	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+Na"	22.989218
"1610909"	364.151918	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Na"	22.989218
"318761"	353.160947	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+H+Na"	23.996494
"708142"	523.742297	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+H+Na"	23.996494
"1463545"	182.579597	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H+Na"	23.996494
"1055334"	122.05549	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2H+Na"	25.00377
"1260291"	374.196186	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+CH3OH+H"	33.033486
"379231"	721.288558	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+K"	38.963158
"742778"	1062.451258	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+K"	38.963158
"1549205"	380.125858	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+K"	38.963158
"307477"	361.147917	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+H+K"	39.970434
"694066"	531.729267	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+H+K"	39.970434
"1448615"	190.566567	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H+K"	39.970434
"239041"	724.359226	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+ACN+H"	42.033826
"1215029"	383.196526	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+ACN+H"	42.033826
"1197461"	192.101901	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+ACN+2H"	43.041102
"192884"	727.29656	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+2Na-H"	44.97116
"632444"	1068.45926	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+2Na-H"	44.97116
"1136315"	386.13386	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2Na-H"	44.97116
"175233"	364.151918	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+2Na"	45.978436
"620992"	534.733268	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+2Na"	45.978436
"1119029"	193.570568	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2Na"	45.978436
"1402554"	129.382804	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H+2Na"	46.985712
"1439043"	388.175446	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H+HCOOH"	47.012746
"222546"	369.18494	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+3H2O+2H"	56.04448
"1508703"	402.22749	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+IsoProp+H"	61.06479
"408756"	372.138888	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+Na+K"	61.952376
"772027"	542.720238	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+Na+K"	61.952376
"1666169"	201.557538	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Na+K"	61.952376
"251459"	746.341168	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+ACN+Na"	64.015768
"1225695"	405.178468	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+ACN+Na"	64.015768
"1714156"	405.201993	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+NH4+HCOOH"	64.039293
"1178602"	136.710118	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+3Na"	68.967654
"1651104"	410.157388	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Na+HCOOH"	68.994688
"158817"	759.24444	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+2K-H"	76.91904
"597321"	1100.40714	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+2K-H"	76.91904
"1084506"	418.08174	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2K-H"	76.91904
"144213"	380.125858	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"2M+2K"	77.926316
"585600"	550.707208	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"3M+2K"	77.926316
"1073393"	209.544508	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2K"	77.926316
"1107698"	420.096292	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2K+H"	78.933592
"1341898"	420.183907	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+DMSO+H"	79.021207
"1016990"	424.223076	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2ACN+H"	83.060376
"1534020"	425.216708	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+IsoProp+Na+H"	84.054008
"995001"	212.615176	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+2ACN+2H"	84.067652
"1591696"	426.131328	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+K+HCOOH"	84.968628
"1415903"	456.162838	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+H+CF3COOH"	115.000138
"1154211"	233.128451	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+3ACN+2H"	125.094202
"1709230"	473.189385	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+NH4+CF3COOH"	132.026685
"1645975"	478.14478	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+Na+CF3COOH"	136.98208
"1580531"	494.11872	"C09411"	"Cularine"	"C20H23NO4"	"341.1627"	"M+K+CF3COOH"	152.95602
"815270"	390.1679	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M"	0
"984427"	371.14951	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-H2O-H"	-19.01839
"78510"	259.104657333333	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M-3H"	-3.021828
"512234"	389.160624	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M-3H"	-3.021828
"888943"	129.048690666667	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-3H"	-3.021828
"6424"	389.160624	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M-2H"	-2.014552
"443067"	584.244574	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M-2H"	-2.014552
"819046"	194.076674	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-2H"	-2.014552
"83778"	779.328524	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M-H"	-1.007276
"530997"	1169.496424	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M-H"	-1.007276
"906610"	389.160624	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-H"	-1.007276
"51143"	796.355071	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M-2H+NH4"	16.019271
"495075"	1186.522971	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M-2H+NH4"	16.019271
"866560"	406.187171	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-2H+NH4"	16.019271
"38591"	801.310466	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M-2H+Na"	20.974666
"478152"	1191.478366	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M-2H+Na"	20.974666
"859238"	411.142566	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-2H+Na"	20.974666
"1627676"	411.142566	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Na-2H"	20.974666
"98738"	407.148963	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M-H+Cl"	33.962126
"536111"	602.232913	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M-H+Cl"	33.962126
"929626"	212.065013	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-H+Cl"	33.962126
"273650"	815.305202	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+Cl"	34.969402
"666072"	1205.473102	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+Cl"	34.969402
"1275193"	425.137302	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Cl"	34.969402
"17020"	817.284406	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M-2H+K"	36.948606
"457309"	1207.452306	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M-2H+K"	36.948606
"835110"	427.116506	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-2H+K"	36.948606
"1557873"	427.116506	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+K-2H"	36.948606
"944298"	435.166094	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-H+HCOOH"	44.998194
"365429"	825.334001	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+HCOOH-H"	44.998201
"347125"	839.349651	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+Hac-H"	59.013851
"1497414"	449.181751	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Hac-H"	59.013851
"963860"	457.148051	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-H+NaCOOH"	66.980151
"116414"	425.137302	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+2Cl"	69.938804
"555611"	620.221252	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+2Cl"	69.938804
"1023681"	230.053352	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2Cl"	69.938804
"1243624"	469.086785	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Br"	78.918885
"1304982"	471.142772	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Cl+HCOOH"	80.974872
"1320652"	493.124729	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Cl+NaCOOH"	102.956829
"912080"	503.153486	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M-H+CF3COOH"	112.985586
"1288791"	539.130164	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Cl+CF3COOH"	148.962264
"1367150"	355.155224	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H-2H2O"	-35.012676
"1383356"	373.1652	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H-H2O"	-17.0027
"282877"	781.343076	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+H"	1.007276
"675780"	1171.510976	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+H"	1.007276
"1354737"	391.175176	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H"	1.007276
"126892"	391.175176	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+2H"	2.014552
"565669"	586.259126	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+2H"	2.014552
"1037111"	196.091226	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2H"	2.014552
"211542"	261.119209333333	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+3H"	3.021828
"648915"	391.175176	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+3H"	3.021828
"1171414"	131.063242666667	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+3H"	3.021828
"430311"	798.369623	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+NH4"	18.033823
"787053"	1188.537523	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+NH4"	18.033823
"1681797"	408.201723	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+NH4"	18.033823
"330198"	399.6884495	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+H+NH4"	19.041099
"722918"	594.7723995	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+H+NH4"	19.041099
"1478144"	204.6044995	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H+NH4"	19.041099
"394271"	803.325018	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+Na"	22.989218
"758547"	1193.492918	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+Na"	22.989218
"1606646"	413.157118	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Na"	22.989218
"316320"	402.166147	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+H+Na"	23.996494
"707280"	597.250097	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+H+Na"	23.996494
"1462077"	207.082197	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H+Na"	23.996494
"1058361"	138.390556666667	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2H+Na"	25.00377
"1260402"	423.201386	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+CH3OH+H"	33.033486
"380800"	819.298958	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+K"	38.963158
"747263"	1209.466858	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+K"	38.963158
"1548222"	429.131058	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+K"	38.963158
"308679"	410.153117	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+H+K"	39.970434
"695635"	605.237067	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+H+K"	39.970434
"1448362"	215.069167	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H+K"	39.970434
"236963"	822.369626	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+ACN+H"	42.033826
"1215139"	432.201726	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+ACN+H"	42.033826
"1199028"	216.604501	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+ACN+2H"	43.041102
"194089"	825.30696	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+2Na-H"	44.97116
"632556"	1215.47486	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+2Na-H"	44.97116
"1138249"	435.13906	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2Na-H"	44.97116
"174611"	413.157118	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+2Na"	45.978436
"617821"	608.241068	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+2Na"	45.978436
"1118047"	218.073168	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2Na"	45.978436
"1402664"	145.717870666667	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H+2Na"	46.985712
"1436966"	437.180646	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H+HCOOH"	47.012746
"223021"	418.19014	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+3H2O+2H"	56.04448
"1508478"	451.23269	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+IsoProp+H"	61.06479
"408704"	421.144088	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+Na+K"	61.952376
"772499"	616.228038	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+Na+K"	61.952376
"1668105"	226.060138	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Na+K"	61.952376
"254993"	844.351568	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+ACN+Na"	64.015768
"1226603"	454.183668	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+ACN+Na"	64.015768
"1712883"	454.207193	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+NH4+HCOOH"	64.039293
"1179015"	153.045184666667	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+3Na"	68.967654
"1650731"	459.162588	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Na+HCOOH"	68.994688
"157712"	857.25484	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+2K-H"	76.91904
"597883"	1247.42274	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+2K-H"	76.91904
"1084699"	467.08694	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2K-H"	76.91904
"147245"	429.131058	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"2M+2K"	77.926316
"583522"	624.215008	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"3M+2K"	77.926316
"1072409"	234.047108	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2K"	77.926316
"1112915"	469.101492	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2K+H"	78.933592
"1347116"	469.189107	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+DMSO+H"	79.021207
"1018195"	473.228276	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2ACN+H"	83.060376
"1536323"	474.221908	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+IsoProp+Na+H"	84.054008
"1001676"	237.117776	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+2ACN+2H"	84.067652
"1598368"	475.136528	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+K+HCOOH"	84.968628
"1415035"	505.168038	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+H+CF3COOH"	115.000138
"1148852"	257.631051	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+3ACN+2H"	125.094202
"1701685"	522.194585	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+NH4+CF3COOH"	132.026685
"1639522"	527.14998	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+Na+CF3COOH"	136.98208
"1580641"	543.12392	"C09412"	"Erioflorin acetate"	"C21H26O7"	"390.1679"	"M+K+CF3COOH"	152.95602
"801621"	416.1835	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M"	0
"981257"	397.16511	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-H2O-H"	-19.01839
"67312"	276.448390666667	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M-3H"	-3.021828
"507970"	415.176224	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M-3H"	-3.021828
"889053"	137.720557333333	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-3H"	-3.021828
"4347"	415.176224	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M-2H"	-2.014552
"441718"	623.267974	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M-2H"	-2.014552
"817697"	207.084474	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-2H"	-2.014552
"83888"	831.359724	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M-H"	-1.007276
"531107"	1247.543224	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M-H"	-1.007276
"905626"	415.176224	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-H"	-1.007276
"51253"	848.386271	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M-2H+NH4"	16.019271
"495185"	1264.569771	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M-2H+NH4"	16.019271
"866549"	432.202771	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-2H+NH4"	16.019271
"35421"	853.341666	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M-2H+Na"	20.974666
"474982"	1269.525166	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M-2H+Na"	20.974666
"856065"	437.158166	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-2H+Na"	20.974666
"1625599"	437.158166	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Na-2H"	20.974666
"97026"	433.164563	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M-H+Cl"	33.962126
"536221"	641.256313	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M-H+Cl"	33.962126
"930101"	225.072813	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-H+Cl"	33.962126
"272667"	867.336402	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+Cl"	34.969402
"665088"	1283.519902	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+Cl"	34.969402
"1274331"	451.152902	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Cl"	34.969402
"16031"	869.315606	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M-2H+K"	36.948606
"456326"	1285.499106	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M-2H+K"	36.948606
"833638"	453.132106	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-2H+K"	36.948606
"1556525"	453.132106	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+K-2H"	36.948606
"944043"	461.181694	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-H+HCOOH"	44.998194
"364811"	877.365201	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+HCOOH-H"	44.998201
"347963"	891.380851	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+Hac-H"	59.013851
"1497523"	475.197351	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Hac-H"	59.013851
"965064"	483.163651	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-H+NaCOOH"	66.980151
"115066"	451.152902	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+2Cl"	69.938804
"555721"	659.244652	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+2Cl"	69.938804
"1023791"	243.061152	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2Cl"	69.938804
"1243370"	495.102385	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Br"	78.918885
"1306915"	497.158372	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Cl+HCOOH"	80.974872
"1320883"	519.140329	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Cl+NaCOOH"	102.956829
"912190"	529.169086	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M-H+CF3COOH"	112.985586
"1288982"	565.145764	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Cl+CF3COOH"	148.962264
"1367424"	381.170824	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H-2H2O"	-35.012676
"1383467"	399.1808	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H-H2O"	-17.0027
"283884"	833.374276	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+H"	1.007276
"675762"	1249.557776	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+H"	1.007276
"1353024"	417.190776	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H"	1.007276
"125820"	417.190776	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+2H"	2.014552
"565982"	625.282526	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+2H"	2.014552
"1037294"	209.099026	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2H"	2.014552
"204309"	278.462942666667	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+3H"	3.021828
"644395"	417.190776	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+3H"	3.021828
"1162852"	139.735109333333	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+3H"	3.021828
"424462"	850.400823	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+NH4"	18.033823
"785779"	1266.584323	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+NH4"	18.033823
"1681908"	434.217323	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+NH4"	18.033823
"330222"	425.7040495	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+H+NH4"	19.041099
"723412"	633.7957995	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+H+NH4"	19.041099
"1477232"	217.6122995	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H+NH4"	19.041099
"393529"	855.356218	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+Na"	22.989218
"754888"	1271.539718	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+Na"	22.989218
"1604204"	439.172718	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Na"	22.989218
"314484"	428.181747	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+H+Na"	23.996494
"707302"	636.273497	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+H+Na"	23.996494
"1461701"	220.089997	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H+Na"	23.996494
"1054218"	147.062423333333	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2H+Na"	25.00377
"1257595"	449.216986	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+CH3OH+H"	33.033486
"377250"	871.330158	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+K"	38.963158
"742269"	1287.513658	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+K"	38.963158
"1546144"	455.146658	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+K"	38.963158
"309880"	436.168717	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+H+K"	39.970434
"692100"	644.260467	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+H+K"	39.970434
"1447742"	228.076967	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H+K"	39.970434
"236016"	874.400826	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+ACN+H"	42.033826
"1213062"	458.217326	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+ACN+H"	42.033826
"1195125"	229.612301	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+ACN+2H"	43.041102
"188693"	877.33816	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+2Na-H"	44.97116
"631934"	1293.52166	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+2Na-H"	44.97116
"1135805"	461.15466	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2Na-H"	44.97116
"175453"	439.172718	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+2Na"	45.978436
"623399"	647.264468	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+2Na"	45.978436
"1121437"	231.080968	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2Na"	45.978436
"1406054"	154.389737333333	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H+2Na"	46.985712
"1437076"	463.196246	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H+HCOOH"	47.012746
"222403"	444.20574	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+3H2O+2H"	56.04448
"1508842"	477.24829	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+IsoProp+H"	61.06479
"410520"	447.159688	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+Na+K"	61.952376
"772245"	655.251438	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+Na+K"	61.952376
"1668215"	239.067938	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Na+K"	61.952376
"255103"	896.382768	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+ACN+Na"	64.015768
"1225985"	480.199268	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+ACN+Na"	64.015768
"1713243"	480.222793	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+NH4+HCOOH"	64.039293
"1178679"	161.717051333333	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+3Na"	68.967654
"1651571"	485.178188	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Na+HCOOH"	68.994688
"158432"	909.28604	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+2K-H"	76.91904
"598722"	1325.46954	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+2K-H"	76.91904
"1084445"	493.10254	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2K-H"	76.91904
"146262"	455.146658	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"2M+2K"	77.926316
"583996"	663.238408	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"3M+2K"	77.926316
"1072520"	247.054908	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2K"	77.926316
"1111202"	495.117092	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2K+H"	78.933592
"1347586"	495.204707	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+DMSO+H"	79.021207
"1015025"	499.243876	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2ACN+H"	83.060376
"1536433"	500.237508	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+IsoProp+Na+H"	84.054008
"1001786"	250.125576	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+2ACN+2H"	84.067652
"1595197"	501.152128	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+K+HCOOH"	84.968628
"1415511"	531.183638	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+H+CF3COOH"	115.000138
"1149326"	270.638851	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+3ACN+2H"	125.094202
"1701795"	548.210185	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+NH4+CF3COOH"	132.026685
"1639632"	553.16558	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+Na+CF3COOH"	136.98208
"1580751"	569.13952	"C09413"	"Erioflorin methacrylate"	"C23H28O7"	"416.1835"	"M+K+CF3COOH"	152.95602
"801718"	364.1886	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M"	0
"981367"	345.17021	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"67422"	241.785124	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"508080"	363.181324	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"889163"	120.388924	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"2270"	363.181324	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"447298"	545.275624	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"819632"	181.087024	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"83998"	727.369924	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"532310"	1091.558524	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"905372"	363.181324	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"54644"	744.396471	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"494202"	1108.585071	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"872734"	380.207871	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"37718"	749.351866	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"476185"	1113.540466	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"856175"	385.163266	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1630085"	385.163266	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"100053"	381.169663	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"536332"	563.263963	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"929848"	199.075363	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"274964"	763.346602	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"668479"	1127.535202	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1277601"	399.158002	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"17238"	765.325806	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"456434"	1129.514406	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"833550"	401.137206	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1558094"	401.137206	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"945978"	409.186794	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"368203"	773.375401	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"348440"	787.391051	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1495449"	423.202451	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"962990"	431.168751	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"114085"	399.158002	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"554739"	581.252302	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1024994"	217.063702	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1243482"	443.107485	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1304307"	445.163472	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1320142"	467.145429	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"911936"	477.174186	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1289741"	513.150864	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1367210"	329.175924	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1383577"	347.1859	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"283994"	729.384476	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"675797"	1093.573076	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1352770"	365.195876	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"126255"	365.195876	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"566304"	547.290176	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1037282"	183.101576	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"205564"	243.799676	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"644308"	365.195876	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1167259"	122.403476	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"424936"	746.411023	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"786302"	1110.599623	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1683484"	382.222423	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"330298"	373.7091495	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"723805"	555.8034495	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1477748"	191.6148495	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"392957"	751.366418	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"754712"	1115.555018	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1605773"	387.177818	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"316173"	376.186847	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"707370"	558.281147	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1463267"	194.092547	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1053717"	129.73079	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1257947"	397.222086	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"377402"	767.340358	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"742379"	1131.528958	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1546255"	403.151758	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"311084"	384.173817	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"691451"	566.268117	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1446758"	202.079517	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"236451"	770.411026	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1212441"	406.222426	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1196696"	203.614851	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"191025"	773.34836	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"631683"	1137.53696	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1135185"	409.15976	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"176293"	387.177818	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"619135"	569.272118	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1123734"	205.083518	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1405071"	137.058104	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1433907"	411.201346	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"222512"	392.21084	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1508522"	425.25339	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"412090"	395.164788	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"770408"	577.259088	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1667597"	213.070488	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"254481"	792.392968	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1228647"	428.204368	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1712780"	428.227893	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1178786"	144.385418	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1650180"	433.183288	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"157368"	805.29624	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"597858"	1169.48484	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1085169"	441.10764	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"146372"	403.151758	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"583014"	585.246058	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1071537"	221.057458	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1110949"	443.122192	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1345514"	443.209807	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1016228"	447.248976	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1533261"	448.242608	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"1001895"	224.128126	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1597491"	449.157228	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1419871"	479.188738	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1148708"	244.641401	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1705185"	496.215285	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1640835"	501.17068	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1580861"	517.14462	"C09414"	"Eriolangin"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"802477"	594.273	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M"	0
"981477"	575.25461	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-H2O-H"	-19.01839
"72999"	395.174724	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M-3H"	-3.021828
"508190"	593.265724	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M-3H"	-3.021828
"889273"	197.083724	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-3H"	-3.021828
"2380"	593.265724	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M-2H"	-2.014552
"447408"	890.402224	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M-2H"	-2.014552
"819742"	296.129224	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-2H"	-2.014552
"84108"	1187.538724	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M-H"	-1.007276
"530233"	1781.811724	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M-H"	-1.007276
"907669"	593.265724	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-H"	-1.007276
"51474"	1204.565271	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M-2H+NH4"	16.019271
"494313"	1798.838271	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M-2H+NH4"	16.019271
"867013"	610.292271	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-2H+NH4"	16.019271
"35642"	1209.520666	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M-2H+Na"	20.974666
"480670"	1803.793666	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M-2H+Na"	20.974666
"858472"	615.247666	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-2H+Na"	20.974666
"1630561"	615.247666	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Na-2H"	20.974666
"99069"	611.254063	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M-H+Cl"	33.962126
"540814"	908.390563	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M-H+Cl"	33.962126
"934332"	314.117563	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-H+Cl"	33.962126
"277261"	1223.515402	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+Cl"	34.969402
"665309"	1817.788402	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+Cl"	34.969402
"1279899"	629.242402	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Cl"	34.969402
"16742"	1225.494606	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M-2H+K"	36.948606
"457151"	1819.767606	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M-2H+K"	36.948606
"834105"	631.221606	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-2H+K"	36.948606
"1558929"	631.221606	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+K-2H"	36.948606
"946086"	639.271194	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-H+HCOOH"	44.998194
"363938"	1233.544201	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+HCOOH-H"	44.998201
"349277"	1247.559851	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+Hac-H"	59.013851
"1495922"	653.286851	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Hac-H"	59.013851
"962735"	661.253151	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-H+NaCOOH"	66.980151
"115651"	629.242402	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+2Cl"	69.938804
"554484"	926.378902	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+2Cl"	69.938804
"1024739"	332.105902	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2Cl"	69.938804
"1242253"	673.191885	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Br"	78.918885
"1305675"	675.247872	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Cl+HCOOH"	80.974872
"1323173"	697.229829	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Cl+NaCOOH"	102.956829
"913868"	707.258586	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M-H+CF3COOH"	112.985586
"1290945"	743.235264	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Cl+CF3COOH"	148.962264
"1368373"	559.260324	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H-2H2O"	-35.012676
"1383687"	577.2703	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H-H2O"	-17.0027
"286292"	1189.553276	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+H"	1.007276
"676279"	1783.826276	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+H"	1.007276
"1357254"	595.280276	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H"	1.007276
"129048"	595.280276	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+2H"	2.014552
"567150"	892.416776	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+2H"	2.014552
"1039594"	298.143776	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2H"	2.014552
"204944"	397.189276	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+3H"	3.021828
"646206"	595.280276	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+3H"	3.021828
"1165425"	199.098276	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+3H"	3.021828
"425900"	1206.579823	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+NH4"	18.033823
"786654"	1800.852823	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+NH4"	18.033823
"1682013"	612.306823	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+NH4"	18.033823
"330411"	603.7935495	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+H+NH4"	19.041099
"724286"	900.9300495	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+H+NH4"	19.041099
"1478472"	306.6570495	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H+NH4"	19.041099
"393873"	1211.535218	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+Na"	22.989218
"756325"	1805.808218	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+Na"	22.989218
"1606248"	617.262218	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Na"	22.989218
"318108"	606.271247	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+H+Na"	23.996494
"708583"	903.407747	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+H+Na"	23.996494
"1464352"	309.134747	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H+Na"	23.996494
"1056504"	206.42559	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2H+Na"	25.00377
"1261464"	627.306486	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+CH3OH+H"	33.033486
"378942"	1227.509158	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+K"	38.963158
"745406"	1821.782158	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+K"	38.963158
"1548553"	633.236158	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+K"	38.963158
"307916"	614.258217	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+H+K"	39.970434
"692683"	911.394717	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+H+K"	39.970434
"1450879"	317.121717	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H+K"	39.970434
"236928"	1230.579826	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+ACN+H"	42.033826
"1212553"	636.306826	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+ACN+H"	42.033826
"1195103"	318.657051	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+ACN+2H"	43.041102
"191135"	1233.51716	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+2Na-H"	44.97116
"631791"	1827.79016	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+2Na-H"	44.97116
"1132864"	639.24416	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2Na-H"	44.97116
"174460"	617.262218	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+2Na"	45.978436
"618153"	914.398718	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+2Na"	45.978436
"1117284"	320.125718	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2Na"	45.978436
"1400807"	213.752904	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H+2Na"	46.985712
"1434017"	641.285746	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H+HCOOH"	47.012746
"225903"	622.29524	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+3H2O+2H"	56.04448
"1516156"	655.33779	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+IsoProp+H"	61.06479
"420219"	625.249188	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+Na+K"	61.952376
"776840"	922.385688	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+Na+K"	61.952376
"1670987"	328.112688	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Na+K"	61.952376
"255320"	1252.561768	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+ACN+Na"	64.015768
"1228029"	658.288768	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+ACN+Na"	64.015768
"1713996"	658.312293	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+NH4+HCOOH"	64.039293
"1180444"	221.080218	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+3Na"	68.967654
"1650702"	663.267688	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Na+HCOOH"	68.994688
"159386"	1265.46504	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+2K-H"	76.91904
"598216"	1859.73804	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+2K-H"	76.91904
"1087470"	671.19204	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2K-H"	76.91904
"145389"	633.236158	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"2M+2K"	77.926316
"582637"	930.372658	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"3M+2K"	77.926316
"1071647"	336.099658	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2K"	77.926316
"1108144"	673.206592	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2K+H"	78.933592
"1343437"	673.294207	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+DMSO+H"	79.021207
"1013059"	677.333376	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2ACN+H"	83.060376
"1532278"	678.327008	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+IsoProp+Na+H"	84.054008
"998727"	339.170326	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+2ACN+2H"	84.067652
"1596508"	679.241628	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+K+HCOOH"	84.968628
"1419978"	709.273138	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+H+CF3COOH"	115.000138
"1150276"	359.683601	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+3ACN+2H"	125.094202
"1705295"	726.299685	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+NH4+CF3COOH"	132.026685
"1640945"	731.25508	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+Na+CF3COOH"	136.98208
"1580971"	747.22902	"C09415"	"Daphnandrine"	"C36H38N2O6"	"594.273"	"M+K+CF3COOH"	152.95602
"804774"	412.1289	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M"	0
"978307"	393.11051	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-H2O-H"	-19.01839
"73109"	273.745324	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M-3H"	-3.021828
"506113"	411.121624	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M-3H"	-3.021828
"888290"	136.369024	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-3H"	-3.021828
"3583"	411.121624	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M-2H"	-2.014552
"444239"	617.186074	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M-2H"	-2.014552
"818759"	205.057174	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-2H"	-2.014552
"82032"	823.250524	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M-H"	-1.007276
"530707"	1235.379424	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M-H"	-1.007276
"907050"	411.121624	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-H"	-1.007276
"52677"	840.277071	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M-2H+NH4"	16.019271
"495518"	1252.405971	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M-2H+NH4"	16.019271
"870040"	428.148171	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-2H+NH4"	16.019271
"41221"	845.232466	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M-2H+Na"	20.974666
"484062"	1257.361366	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M-2H+Na"	20.974666
"859678"	433.103566	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-2H+Na"	20.974666
"1628120"	433.103566	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Na-2H"	20.974666
"98085"	429.109963	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M-H+Cl"	33.962126
"540924"	635.174413	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M-H+Cl"	33.962126
"934442"	223.045513	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-H+Cl"	33.962126
"273362"	859.227202	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+Cl"	34.969402
"665419"	1271.356102	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+Cl"	34.969402
"1278186"	447.098302	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Cl"	34.969402
"16244"	861.206406	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M-2H+K"	36.948606
"456775"	1273.335306	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M-2H+K"	36.948606
"834092"	449.077506	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-2H+K"	36.948606
"1557946"	449.077506	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+K-2H"	36.948606
"945832"	457.127094	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-H+HCOOH"	44.998194
"366235"	869.256001	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+HCOOH-H"	44.998201
"348294"	883.271651	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+Hac-H"	59.013851
"1497127"	471.142751	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Hac-H"	59.013851
"963211"	479.109051	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-H+NaCOOH"	66.980151
"113939"	447.098302	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+2Cl"	69.938804
"555325"	653.162752	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+2Cl"	69.938804
"1025945"	241.033852	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2Cl"	69.938804
"1242121"	491.047785	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Br"	78.918885
"1304527"	493.103772	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Cl+HCOOH"	80.974872
"1324375"	515.085729	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Cl+NaCOOH"	102.956829
"912885"	525.114486	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M-H+CF3COOH"	112.985586
"1290691"	561.091164	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Cl+CF3COOH"	148.962264
"1369944"	377.116224	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H-2H2O"	-35.012676
"1383433"	395.1262	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H-H2O"	-17.0027
"283481"	825.265076	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+H"	1.007276
"676022"	1237.393976	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+H"	1.007276
"1354078"	413.136176	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H"	1.007276
"132439"	413.136176	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+2H"	2.014552
"568719"	619.200626	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+2H"	2.014552
"1038975"	207.071726	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2H"	2.014552
"204350"	275.759876	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+3H"	3.021828
"644291"	413.136176	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+3H"	3.021828
"1164321"	138.383576	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+3H"	3.021828
"425645"	842.291623	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+NH4"	18.033823
"786764"	1254.420523	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+NH4"	18.033823
"1683705"	430.162723	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+NH4"	18.033823
"330073"	421.6494495	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+H+NH4"	19.041099
"723424"	627.7138995	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+H+NH4"	19.041099
"1478950"	215.5849995	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H+NH4"	19.041099
"394102"	847.247018	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+Na"	22.989218
"760083"	1259.375918	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+Na"	22.989218
"1609274"	435.118118	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Na"	22.989218
"318219"	424.127147	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+H+Na"	23.996494
"710641"	630.191597	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+H+Na"	23.996494
"1465557"	218.062697	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H+Na"	23.996494
"1059896"	145.71089	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2H+Na"	25.00377
"1261573"	445.162386	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+CH3OH+H"	33.033486
"381241"	863.220958	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+K"	38.963158
"745516"	1275.349858	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+K"	38.963158
"1547569"	451.092058	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+K"	38.963158
"309118"	432.114117	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+H+K"	39.970434
"693525"	638.178567	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+H+K"	39.970434
"1450992"	226.049667	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H+K"	39.970434
"240684"	866.291626	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+ACN+H"	42.033826
"1211933"	454.162726	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+ACN+H"	42.033826
"1196669"	227.585001	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+ACN+2H"	43.041102
"190880"	869.22896	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+2Na-H"	44.97116
"631901"	1281.35786	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+2Na-H"	44.97116
"1134676"	457.10006	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2Na-H"	44.97116
"179795"	435.118118	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+2Na"	45.978436
"618263"	641.182568	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+2Na"	45.978436
"1119581"	229.053668	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2Na"	45.978436
"1399823"	153.038204	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H+2Na"	46.985712
"1433034"	459.141646	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H+HCOOH"	47.012746
"220179"	440.15114	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+3H2O+2H"	56.04448
"1514077"	473.19369	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+IsoProp+H"	61.06479
"413768"	443.105088	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+Na+K"	61.952376
"778044"	649.169538	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+Na+K"	61.952376
"1667815"	237.040638	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Na+K"	61.952376
"253240"	888.273568	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+ACN+Na"	64.015768
"1225822"	476.144668	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+ACN+Na"	64.015768
"1713132"	476.168193	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+NH4+HCOOH"	64.039293
"1179823"	160.365518	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+3Na"	68.967654
"1650444"	481.123588	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Na+HCOOH"	68.994688
"159127"	901.17684	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+2K-H"	76.91904
"598444"	1313.30574	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+2K-H"	76.91904
"1086488"	489.04794	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2K-H"	76.91904
"145499"	451.092058	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"2M+2K"	77.926316
"582141"	657.156508	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"3M+2K"	77.926316
"1071757"	245.027608	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2K"	77.926316
"1111532"	491.062492	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2K+H"	78.933592
"1344637"	491.150107	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+DMSO+H"	79.021207
"1016447"	495.189276	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2ACN+H"	83.060376
"1531292"	496.182908	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+IsoProp+Na+H"	84.054008
"998835"	248.098276	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+2ACN+2H"	84.067652
"1594430"	497.097528	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+K+HCOOH"	84.968628
"1421181"	527.129038	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+H+CF3COOH"	115.000138
"1152572"	268.611551	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+3ACN+2H"	125.094202
"1705405"	544.155585	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+NH4+CF3COOH"	132.026685
"1641055"	549.11098	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+Na+CF3COOH"	136.98208
"1581081"	565.08492	"C09416"	"Eupachlorin"	"C20H25ClO7"	"412.1289"	"M+K+CF3COOH"	152.95602
"804884"	454.1394	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M"	0
"986072"	435.12101	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-H2O-H"	-19.01839
"75407"	301.752324	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M-3H"	-3.021828
"507316"	453.132124	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M-3H"	-3.021828
"887307"	150.372524	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-3H"	-3.021828
"2600"	453.132124	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M-2H"	-2.014552
"446536"	680.201824	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M-2H"	-2.014552
"820327"	226.062424	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-2H"	-2.014552
"83237"	907.271524	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M-H"	-1.007276
"529359"	1361.410924	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M-H"	-1.007276
"907160"	453.132124	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-H"	-1.007276
"51694"	924.298071	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M-2H+NH4"	16.019271
"498180"	1378.437471	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M-2H+NH4"	16.019271
"866870"	470.158671	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-2H+NH4"	16.019271
"41333"	929.253466	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M-2H+Na"	20.974666
"480893"	1383.392866	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M-2H+Na"	20.974666
"858695"	475.114066	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-2H+Na"	20.974666
"1628229"	475.114066	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Na-2H"	20.974666
"96372"	471.120463	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M-H+Cl"	33.962126
"541034"	698.190163	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M-H+Cl"	33.962126
"934552"	244.050763	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-H+Cl"	33.962126
"267881"	943.248202	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+Cl"	34.969402
"660659"	1397.387602	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+Cl"	34.969402
"1275016"	489.108802	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Cl"	34.969402
"16836"	945.227406	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M-2H+K"	36.948606
"457003"	1399.366806	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M-2H+K"	36.948606
"835300"	491.088006	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-2H+K"	36.948606
"1558059"	491.088006	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+K-2H"	36.948606
"946672"	499.137594	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-H+HCOOH"	44.998194
"363793"	953.277001	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+HCOOH-H"	44.998201
"349134"	967.292651	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+Hac-H"	59.013851
"1496869"	513.153251	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Hac-H"	59.013851
"962956"	521.119551	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-H+NaCOOH"	66.980151
"113682"	489.108802	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+2Cl"	69.938804
"557258"	716.178502	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+2Cl"	69.938804
"1023500"	262.039102	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2Cl"	69.938804
"1242596"	533.058285	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Br"	78.918885
"1305530"	535.114272	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Cl+HCOOH"	80.974872
"1324122"	557.096229	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Cl+NaCOOH"	102.956829
"913357"	567.124986	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M-H+CF3COOH"	112.985586
"1290795"	603.101664	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Cl+CF3COOH"	148.962264
"1370053"	419.126724	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H-2H2O"	-35.012676
"1384999"	437.1367	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H-H2O"	-17.0027
"284439"	909.286076	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+H"	1.007276
"677104"	1363.425476	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+H"	1.007276
"1354188"	455.146676	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H"	1.007276
"128531"	455.146676	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+2H"	2.014552
"569923"	682.216376	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+2H"	2.014552
"1039814"	228.076976	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2H"	2.014552
"204680"	303.766876	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+3H"	3.021828
"644441"	455.146676	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+3H"	3.021828
"1164308"	152.387076	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+3H"	3.021828
"426485"	926.312623	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+NH4"	18.033823
"787236"	1380.452023	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+NH4"	18.033823
"1682722"	472.173223	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+NH4"	18.033823
"330143"	463.6599495	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+H+NH4"	19.041099
"723451"	690.7296495	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+H+NH4"	19.041099
"1480517"	236.5902495	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H+NH4"	19.041099
"393644"	931.268018	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+Na"	22.989218
"762380"	1385.407418	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+Na"	22.989218
"1609384"	477.128618	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Na"	22.989218
"319421"	466.137647	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+H+Na"	23.996494
"710384"	693.207347	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+H+Na"	23.996494
"1465667"	239.067947	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H+Na"	23.996494
"1063286"	159.71439	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2H+Na"	25.00377
"1261683"	487.172886	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+CH3OH+H"	33.033486
"381351"	947.241958	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+K"	38.963158
"746719"	1401.381358	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+K"	38.963158
"1546585"	493.102558	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+K"	38.963158
"310322"	474.124617	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+H+K"	39.970434
"695092"	701.194317	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+H+K"	39.970434
"1451100"	247.054917	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H+K"	39.970434
"239335"	950.312626	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+ACN+H"	42.033826
"1212772"	496.173226	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+ACN+H"	42.033826
"1195567"	248.590251	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+ACN+2H"	43.041102
"190018"	953.24996	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+2Na-H"	44.97116
"629818"	1407.38936	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+2Na-H"	44.97116
"1132842"	499.11056	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2Na-H"	44.97116
"176625"	477.128618	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+2Na"	45.978436
"618373"	704.198318	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+2Na"	45.978436
"1119691"	250.058918	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2Na"	45.978436
"1401026"	167.041704	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H+2Na"	46.985712
"1431685"	501.152146	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H+HCOOH"	47.012746
"222843"	482.16164	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+3H2O+2H"	56.04448
"1517467"	515.20419	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+IsoProp+H"	61.06479
"413878"	485.115588	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+Na+K"	61.952376
"778154"	712.185288	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+Na+K"	61.952376
"1670110"	258.045888	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Na+K"	61.952376
"252257"	972.294568	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+ACN+Na"	64.015768
"1226426"	518.155168	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+ACN+Na"	64.015768
"1714217"	518.178693	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+NH4+HCOOH"	64.039293
"1179572"	174.369018	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+3Na"	68.967654
"1652381"	523.134088	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Na+HCOOH"	68.994688
"159604"	985.19784	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+2K-H"	76.91904
"600981"	1439.33724	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+2K-H"	76.91904
"1086232"	531.05844	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2K-H"	76.91904
"148889"	493.102558	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"2M+2K"	77.926316
"582492"	720.172258	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"3M+2K"	77.926316
"1071867"	266.032858	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2K"	77.926316
"1109457"	533.072992	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2K+H"	78.933592
"1341466"	533.160607	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+DMSO+H"	79.021207
"1011091"	537.199776	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2ACN+H"	83.060376
"1532499"	538.193408	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+IsoProp+Na+H"	84.054008
"998946"	269.103526	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+2ACN+2H"	84.067652
"1596728"	539.108028	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+K+HCOOH"	84.968628
"1421294"	569.139538	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+H+CF3COOH"	115.000138
"1152683"	289.616801	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+3ACN+2H"	125.094202
"1702235"	586.166085	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+NH4+CF3COOH"	132.026685
"1640072"	591.12148	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+Na+CF3COOH"	136.98208
"1581191"	607.09542	"C09417"	"Eupachlorin acetate"	"C22H27ClO8"	"454.1394"	"M+K+CF3COOH"	152.95602
"802198"	580.2573	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M"	0
"985088"	561.23891	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-H2O-H"	-19.01839
"75517"	385.830924	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M-3H"	-3.021828
"506333"	579.250024	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M-3H"	-3.021828
"887417"	192.411824	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-3H"	-3.021828
"1617"	579.250024	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M-2H"	-2.014552
"446646"	869.378674	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M-2H"	-2.014552
"821166"	289.121374	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-2H"	-2.014552
"83347"	1159.507324	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M-H"	-1.007276
"526189"	1739.764624	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M-H"	-1.007276
"906178"	579.250024	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-H"	-1.007276
"52898"	1176.533871	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M-2H+NH4"	16.019271
"493551"	1756.791171	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M-2H+NH4"	16.019271
"866980"	596.276571	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-2H+NH4"	16.019271
"38163"	1181.489266	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M-2H+Na"	20.974666
"479910"	1761.746566	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M-2H+Na"	20.974666
"856617"	601.231966	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-2H+Na"	20.974666
"1627245"	601.231966	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Na-2H"	20.974666
"97575"	597.238363	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M-H+Cl"	33.962126
"541143"	887.367013	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M-H+Cl"	33.962126
"932475"	307.109713	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-H+Cl"	33.962126
"267992"	1195.484002	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+Cl"	34.969402
"660165"	1775.741302	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+Cl"	34.969402
"1274397"	615.226702	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Cl"	34.969402
"16218"	1197.463206	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M-2H+K"	36.948606
"456875"	1777.720506	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M-2H+K"	36.948606
"833707"	617.205906	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-2H+K"	36.948606
"1558897"	617.205906	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+K-2H"	36.948606
"944594"	625.255494	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-H+HCOOH"	44.998194
"365361"	1205.512801	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+HCOOH-H"	44.998201
"348512"	1219.528451	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+Hac-H"	59.013851
"1496615"	639.271151	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Hac-H"	59.013851
"964526"	647.237451	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-H+NaCOOH"	66.980151
"113431"	615.226702	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+2Cl"	69.938804
"552262"	905.355352	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+2Cl"	69.938804
"1024341"	325.098052	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2Cl"	69.938804
"1241730"	659.176185	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Br"	78.918885
"1304547"	661.232172	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Cl+HCOOH"	80.974872
"1323501"	683.214129	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Cl+NaCOOH"	102.956829
"912737"	693.242886	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M-H+CF3COOH"	112.985586
"1290905"	729.219564	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Cl+CF3COOH"	148.962264
"1369067"	545.244624	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H-2H2O"	-35.012676
"1385473"	563.2546	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H-H2O"	-17.0027
"283697"	1161.521876	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+H"	1.007276
"678309"	1741.779176	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+H"	1.007276
"1353932"	581.264576	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H"	1.007276
"127913"	581.264576	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+2H"	2.014552
"566628"	871.393226	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+2H"	2.014552
"1038707"	291.135926	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2H"	2.014552
"205517"	387.845476	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+3H"	3.021828
"644956"	581.264576	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+3H"	3.021828
"1164661"	194.426376	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+3H"	3.021828
"426596"	1178.548423	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+NH4"	18.033823
"786499"	1758.805723	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+NH4"	18.033823
"1683196"	598.291123	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+NH4"	18.033823
"330084"	589.7778495	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+H+NH4"	19.041099
"724014"	879.9064995	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+H+NH4"	19.041099
"1480263"	299.6491995	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H+NH4"	19.041099
"394324"	1183.503818	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+Na"	22.989218
"755319"	1763.761118	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+Na"	22.989218
"1609493"	603.246518	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Na"	22.989218
"318439"	592.255547	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+H+Na"	23.996494
"710860"	882.384197	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+H+Na"	23.996494
"1465777"	302.126897	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H+Na"	23.996494
"1059021"	201.75369	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2H+Na"	25.00377
"1259606"	613.290786	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+CH3OH+H"	33.033486
"381461"	1199.477758	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+K"	38.963158
"747923"	1779.735058	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+K"	38.963158
"1548882"	619.220458	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+K"	38.963158
"311161"	600.242517	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+H+K"	39.970434
"698481"	890.371167	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+H+K"	39.970434
"1451209"	310.113867	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H+K"	39.970434
"239080"	1202.548426	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+ACN+H"	42.033826
"1215069"	622.291126	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+ACN+H"	42.033826
"1196035"	311.649201	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+ACN+2H"	43.041102
"190368"	1205.48576	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+2Na-H"	44.97116
"629198"	1785.74306	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+2Na-H"	44.97116
"1131972"	625.22846	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2Na-H"	44.97116
"174178"	603.246518	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+2Na"	45.978436
"616291"	893.375168	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+2Na"	45.978436
"1116154"	313.117868	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2Na"	45.978436
"1400041"	209.081004	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H+2Na"	46.985712
"1432161"	627.270046	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H+HCOOH"	47.012746
"225140"	608.27954	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+3H2O+2H"	56.04448
"1518670"	641.32209	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+IsoProp+H"	61.06479
"417267"	611.233488	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+Na+K"	61.952376
"779357"	901.362138	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+Na+K"	61.952376
"1672406"	321.104838	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Na+K"	61.952376
"255647"	1224.530368	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+ACN+Na"	64.015768
"1227387"	644.273068	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+ACN+Na"	64.015768
"1715057"	644.296593	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+NH4+HCOOH"	64.039293
"1180411"	216.408318	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+3Na"	68.967654
"1653584"	649.251988	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Na+HCOOH"	68.994688
"159714"	1237.43364	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+2K-H"	76.91904
"598785"	1817.69094	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+2K-H"	76.91904
"1086464"	657.17634	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2K-H"	76.91904
"145719"	619.220458	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"2M+2K"	77.926316
"583454"	909.349108	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"3M+2K"	77.926316
"1071977"	329.091808	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2K"	77.926316
"1108472"	659.190892	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2K+H"	78.933592
"1341576"	659.278507	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+DMSO+H"	79.021207
"1011202"	663.317676	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2ACN+H"	83.060376
"1531516"	664.311308	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+IsoProp+Na+H"	84.054008
"999056"	332.162476	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+2ACN+2H"	84.067652
"1597932"	665.225928	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+K+HCOOH"	84.968628
"1423590"	695.257438	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+H+CF3COOH"	115.000138
"1151700"	352.675751	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+3ACN+2H"	125.094202
"1702345"	712.283985	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+NH4+CF3COOH"	132.026685
"1640182"	717.23938	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+Na+CF3COOH"	136.98208
"1581301"	733.21332	"C09418"	"Daphnoline"	"C35H36N2O6"	"580.2573"	"M+K+CF3COOH"	152.95602
"816042"	624.3199	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M"	0
"987387"	605.30151	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-H2O-H"	-19.01839
"75629"	415.205990666667	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M-3H"	-3.021828
"514100"	623.312624	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M-3H"	-3.021828
"888622"	207.099357333333	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-3H"	-3.021828
"7197"	623.312624	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M-2H"	-2.014552
"443840"	935.472574	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M-2H"	-2.014552
"829664"	311.152674	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-2H"	-2.014552
"91116"	1247.632524	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M-H"	-1.007276
"528487"	1871.952424	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M-H"	-1.007276
"904101"	623.312624	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-H"	-1.007276
"58111"	1264.659071	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M-2H+NH4"	16.019271
"493664"	1888.978971	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M-2H+NH4"	16.019271
"868185"	640.339171	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-2H+NH4"	16.019271
"36086"	1269.614466	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M-2H+Na"	20.974666
"478927"	1893.934366	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M-2H+Na"	20.974666
"855634"	645.294566	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-2H+Na"	20.974666
"1628449"	645.294566	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Na-2H"	20.974666
"96957"	641.300963	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M-H+Cl"	33.962126
"537974"	953.460913	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M-H+Cl"	33.962126
"933679"	329.141013	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-H+Cl"	33.962126
"271143"	1283.609202	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+Cl"	34.969402
"662832"	1907.929102	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+Cl"	34.969402
"1272787"	659.289302	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Cl"	34.969402
"15786"	1285.588406	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M-2H+K"	36.948606
"455924"	1909.908306	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M-2H+K"	36.948606
"836613"	661.268506	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-2H+K"	36.948606
"1555634"	661.268506	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+K-2H"	36.948606
"946162"	669.318094	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-H+HCOOH"	44.998194
"364741"	1293.638001	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+HCOOH-H"	44.998201
"348624"	1307.653651	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+Hac-H"	59.013851
"1497090"	683.333751	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Hac-H"	59.013851
"964271"	691.300051	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-H+NaCOOH"	66.980151
"112811"	659.289302	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+2Cl"	69.938804
"555288"	971.449252	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+2Cl"	69.938804
"1021899"	347.129352	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2Cl"	69.938804
"1242209"	703.238785	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Br"	78.918885
"1304657"	705.294772	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Cl+HCOOH"	80.974872
"1323978"	727.276729	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Cl+NaCOOH"	102.956829
"912118"	737.305486	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M-H+CF3COOH"	112.985586
"1290285"	773.282164	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Cl+CF3COOH"	148.962264
"1367593"	589.307224	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H-2H2O"	-35.012676
"1384127"	607.3172	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H-H2O"	-17.0027
"284172"	1249.647076	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+H"	1.007276
"678421"	1873.966976	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+H"	1.007276
"1352950"	625.327176	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H"	1.007276
"128023"	625.327176	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+2H"	2.014552
"567955"	937.487126	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+2H"	2.014552
"1040034"	313.167226	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2H"	2.014552
"209032"	417.220542666667	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+3H"	3.021828
"649685"	625.327176	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+3H"	3.021828
"1164529"	209.113909333333	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+3H"	3.021828
"427799"	1266.673623	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+NH4"	18.033823
"788798"	1890.993523	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+NH4"	18.033823
"1681969"	642.353723	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+NH4"	18.033823
"332311"	633.8404495	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+H+NH4"	19.041099
"725826"	946.0003995	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+H+NH4"	19.041099
"1478550"	321.6804995	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H+NH4"	19.041099
"394435"	1271.629018	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+Na"	22.989218
"758225"	1895.948918	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+Na"	22.989218
"1610697"	647.309118	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Na"	22.989218
"318549"	636.318147	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+H+Na"	23.996494
"712064"	948.478097	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+H+Na"	23.996494
"1469168"	324.158197	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H+Na"	23.996494
"1063506"	216.441223333333	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2H+Na"	25.00377
"1259716"	657.353386	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+CH3OH+H"	33.033486
"379748"	1287.602958	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+K"	38.963158
"749126"	1911.922858	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+K"	38.963158
"1550085"	663.283058	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+K"	38.963158
"308356"	644.305117	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+H+K"	39.970434
"700777"	956.465067	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+H+K"	39.970434
"1453505"	332.145167	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H+K"	39.970434
"239919"	1290.673626	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+ACN+H"	42.033826
"1215907"	666.353726	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+ACN+H"	42.033826
"1195781"	333.680501	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+ACN+2H"	43.041102
"191205"	1293.61096	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+2Na-H"	44.97116
"629306"	1917.93086	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+2Na-H"	44.97116
"1133905"	669.29106	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2Na-H"	44.97116
"173920"	647.309118	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+2Na"	45.978436
"613845"	959.469068	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+2Na"	45.978436
"1115774"	335.149168	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2Na"	45.978436
"1398542"	223.768537333333	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H+2Na"	46.985712
"1432271"	671.332646	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H+HCOOH"	47.012746
"223791"	652.34214	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+3H2O+2H"	56.04448
"1513313"	685.38469	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+IsoProp+H"	61.06479
"412636"	655.296088	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+Na+K"	61.952376
"777278"	967.456038	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+Na+K"	61.952376
"1669236"	343.136138	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Na+K"	61.952376
"254663"	1312.655568	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+ACN+Na"	64.015768
"1227011"	688.335668	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+ACN+Na"	64.015768
"1715167"	688.359193	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+NH4+HCOOH"	64.039293
"1180521"	231.095851333333	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+3Na"	68.967654
"1653694"	693.314588	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Na+HCOOH"	68.994688
"158365"	1325.55884	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+2K-H"	76.91904
"599382"	1949.87874	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+2K-H"	76.91904
"1086453"	701.23894	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2K-H"	76.91904
"149109"	663.283058	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"2M+2K"	77.926316
"584291"	975.443008	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"3M+2K"	77.926316
"1072087"	351.123108	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2K"	77.926316
"1108585"	703.253492	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2K+H"	78.933592
"1342781"	703.341107	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+DMSO+H"	79.021207
"1011312"	707.380276	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2ACN+H"	83.060376
"1532720"	708.373908	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+IsoProp+Na+H"	84.054008
"999167"	354.193776	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+2ACN+2H"	84.067652
"1596949"	709.288528	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+K+HCOOH"	84.968628
"1425887"	739.320038	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+H+CF3COOH"	115.000138
"1153997"	374.707051	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+3ACN+2H"	125.094202
"1705735"	756.346585	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+NH4+CF3COOH"	132.026685
"1646855"	761.30198	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+Na+CF3COOH"	136.98208
"1581411"	777.27592	"C09419"	"Dauricine"	"C38H44N2O6"	"624.3199"	"M+K+CF3COOH"	152.95602
"815059"	476.2675	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M"	0
"982029"	457.24911	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-H2O-H"	-19.01839
"75738"	316.504390666667	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M-3H"	-3.021828
"515307"	475.260224	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M-3H"	-3.021828
"890921"	157.748557333333	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-3H"	-3.021828
"7307"	475.260224	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M-2H"	-2.014552
"447965"	713.393974	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M-2H"	-2.014552
"824674"	237.126474	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-2H"	-2.014552
"91226"	951.527724	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M-H"	-1.007276
"530787"	1427.795224	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M-H"	-1.007276
"906401"	475.260224	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-H"	-1.007276
"57858"	968.554271	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M-2H+NH4"	16.019271
"490494"	1444.821771	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M-2H+NH4"	16.019271
"869389"	492.286771	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-2H+NH4"	16.019271
"35103"	973.509666	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M-2H+Na"	20.974666
"479036"	1449.777166	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M-2H+Na"	20.974666
"855747"	497.242166	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-2H+Na"	20.974666
"1626373"	497.242166	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Na-2H"	20.974666
"98527"	493.248563	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M-H+Cl"	33.962126
"539179"	731.382313	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M-H+Cl"	33.962126
"933790"	255.114813	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-H+Cl"	33.962126
"270523"	987.504402	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+Cl"	34.969402
"665495"	1463.771902	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+Cl"	34.969402
"1278262"	511.236902	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Cl"	34.969402
"22278"	989.483606	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M-2H+K"	36.948606
"456735"	1465.751106	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M-2H+K"	36.948606
"837819"	513.216106	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-2H+K"	36.948606
"1559483"	513.216106	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+K-2H"	36.948606
"948460"	521.265694	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-H+HCOOH"	44.998194
"365216"	997.533201	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+HCOOH-H"	44.998201
"349464"	1011.548851	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+Hac-H"	59.013851
"1496474"	535.281351	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Hac-H"	59.013851
"966934"	543.247651	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-H+NaCOOH"	66.980151
"119851"	511.236902	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+2Cl"	69.938804
"557589"	749.370652	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+2Cl"	69.938804
"1022740"	273.103152	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2Cl"	69.938804
"1241338"	555.186385	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Br"	78.918885
"1307320"	557.242372	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Cl+HCOOH"	80.974872
"1321900"	579.224329	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Cl+NaCOOH"	102.956829
"914416"	589.253086	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M-H+CF3COOH"	112.985586
"1290036"	625.229764	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Cl+CF3COOH"	148.962264
"1368436"	441.254824	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H-2H2O"	-35.012676
"1383873"	459.2648	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H-H2O"	-17.0027
"286840"	953.542276	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+H"	1.007276
"678897"	1429.809776	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+H"	1.007276
"1355246"	477.274776	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H"	1.007276
"129228"	477.274776	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+2H"	2.014552
"569159"	715.408526	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+2H"	2.014552
"1041238"	239.141026	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2H"	2.014552
"208048"	318.518942666667	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+3H"	3.021828
"647607"	477.274776	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+3H"	3.021828
"1166823"	159.763109333333	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+3H"	3.021828
"426816"	970.568823	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+NH4"	18.033823
"787814"	1446.836323	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+NH4"	18.033823
"1684147"	494.301323	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+NH4"	18.033823
"332425"	485.7880495	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+H+NH4"	19.041099
"724966"	723.9217995	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+H+NH4"	19.041099
"1479757"	247.6542995	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H+NH4"	19.041099
"394303"	975.524218	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+Na"	22.989218
"760524"	1451.791718	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+Na"	22.989218
"1609715"	499.256718	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Na"	22.989218
"318658"	488.265747	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+H+Na"	23.996494
"712176"	726.399497	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+H+Na"	23.996494
"1472557"	250.131997	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H+Na"	23.996494
"1061428"	167.090423333333	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2H+Na"	25.00377
"1264200"	509.300986	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+CH3OH+H"	33.033486
"382776"	991.498158	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+K"	38.963158
"749237"	1467.765658	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+K"	38.963158
"1550197"	515.230658	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+K"	38.963158
"307372"	496.252717	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+H+K"	39.970434
"701985"	734.386467	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+H+K"	39.970434
"1452522"	258.118967	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H+K"	39.970434
"246591"	994.568826	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+ACN+H"	42.033826
"1219299"	518.301326	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+ACN+H"	42.033826
"1197712"	259.654301	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+ACN+2H"	43.041102
"190949"	997.50616	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+2Na-H"	44.97116
"629902"	1473.77366	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+2Na-H"	44.97116
"1133285"	521.23866	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2Na-H"	44.97116
"178048"	499.256718	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+2Na"	45.978436
"615785"	737.390468	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+2Na"	45.978436
"1120023"	261.122968	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2Na"	45.978436
"1404641"	174.417737333333	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H+2Na"	46.985712
"1434570"	523.280246	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H+HCOOH"	47.012746
"220740"	504.28974	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+3H2O+2H"	56.04448
"1509778"	537.33229	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+IsoProp+H"	61.06479
"414206"	507.243688	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+Na+K"	61.952376
"779578"	745.377438	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+Na+K"	61.952376
"1671534"	269.109938	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Na+K"	61.952376
"258054"	1016.550768	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+ACN+Na"	64.015768
"1227486"	540.283268	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+ACN+Na"	64.015768
"1715277"	540.306793	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+NH4+HCOOH"	64.039293
"1180631"	181.745051333333	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+3Na"	68.967654
"1653804"	545.262188	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Na+HCOOH"	68.994688
"158227"	1029.45404	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+2K-H"	76.91904
"598278"	1505.72154	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+2K-H"	76.91904
"1086928"	553.18654	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2K-H"	76.91904
"149219"	515.230658	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"2M+2K"	77.926316
"583185"	753.364408	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"3M+2K"	77.926316
"1071104"	277.096908	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2K"	77.926316
"1108693"	555.201092	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2K+H"	78.933592
"1343984"	555.288707	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+DMSO+H"	79.021207
"1011421"	559.327876	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2ACN+H"	83.060376
"1533918"	560.321508	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+IsoProp+Na+H"	84.054008
"994899"	280.167576	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+2ACN+2H"	84.067652
"1590494"	561.236128	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+K+HCOOH"	84.968628
"1424903"	591.267638	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+H+CF3COOH"	115.000138
"1148273"	300.680851	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+3ACN+2H"	125.094202
"1701471"	608.294185	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+NH4+CF3COOH"	132.026685
"1648058"	613.24958	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+Na+CF3COOH"	136.98208
"1581521"	629.22352	"C09420"	"Emetamine"	"C29H36N2O4"	"476.2675"	"M+K+CF3COOH"	152.95602
"808604"	480.2988	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M"	0
"985419"	461.28041	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-H2O-H"	-19.01839
"75848"	319.191924	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M-3H"	-3.021828
"515418"	479.291524	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M-3H"	-3.021828
"894314"	159.092324	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-3H"	-3.021828
"10699"	479.291524	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M-2H"	-2.014552
"453542"	719.440924	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M-2H"	-2.014552
"832201"	239.142124	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-2H"	-2.014552
"93041"	959.590324	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M-H"	-1.007276
"533089"	1439.889124	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M-H"	-1.007276
"909918"	479.291524	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-H"	-1.007276
"54325"	976.616871	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M-2H+NH4"	16.019271
"502030"	1456.915671	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M-2H+NH4"	16.019271
"878617"	496.318071	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-2H+NH4"	16.019271
"45424"	981.572266	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M-2H+Na"	20.974666
"482431"	1461.871066	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M-2H+Na"	20.974666
"862543"	501.273466	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-2H+Na"	20.974666
"1629768"	501.273466	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Na-2H"	20.974666
"107387"	497.279863	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M-H+Cl"	33.962126
"544760"	737.429263	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M-H+Cl"	33.962126
"936090"	257.130463	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-H+Cl"	33.962126
"277927"	995.567002	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+Cl"	34.969402
"668523"	1475.865802	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+Cl"	34.969402
"1282749"	515.268202	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Cl"	34.969402
"25306"	997.546206	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M-2H+K"	36.948606
"460126"	1477.845006	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M-2H+K"	36.948606
"837567"	517.247406	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-2H+K"	36.948606
"1559227"	517.247406	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+K-2H"	36.948606
"947839"	525.296994	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-H+HCOOH"	44.998194
"364960"	1005.595801	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+HCOOH-H"	44.998201
"352489"	1019.611451	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+Hac-H"	59.013851
"1499503"	539.312651	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Hac-H"	59.013851
"964860"	547.278951	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-H+NaCOOH"	66.980151
"114132"	515.268202	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+2Cl"	69.938804
"554420"	755.417602	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+2Cl"	69.938804
"1029779"	275.118802	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2Cl"	69.938804
"1243524"	559.217685	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Br"	78.918885
"1307066"	561.273672	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Cl+HCOOH"	80.974872
"1323469"	583.255629	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Cl+NaCOOH"	102.956829
"913800"	593.284386	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M-H+CF3COOH"	112.985586
"1289780"	629.261064	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Cl+CF3COOH"	148.962264
"1370131"	445.286124	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H-2H2O"	-35.012676
"1386535"	463.2961	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H-H2O"	-17.0027
"287680"	961.604876	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+H"	1.007276
"683748"	1441.903676	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+H"	1.007276
"1359003"	481.306076	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H"	1.007276
"132986"	481.306076	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+2H"	2.014552
"573641"	721.455476	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+2H"	2.014552
"1046814"	241.156676	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2H"	2.014552
"212532"	321.206476	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+3H"	3.021828
"649906"	481.306076	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+3H"	3.021828
"1168031"	161.106876	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+3H"	3.021828
"428023"	978.631423	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+NH4"	18.033823
"791205"	1458.930223	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+NH4"	18.033823
"1686443"	498.332623	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+NH4"	18.033823
"334719"	489.8193495	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+H+NH4"	19.041099
"729328"	729.9687495	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+H+NH4"	19.041099
"1482054"	249.6699495	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H+NH4"	19.041099
"400732"	983.586818	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+Na"	22.989218
"760633"	1463.885618	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+Na"	22.989218
"1608733"	503.288018	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Na"	22.989218
"319864"	492.297047	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+H+Na"	23.996494
"712286"	732.446447	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+H+Na"	23.996494
"1473764"	252.147647	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H+Na"	23.996494
"1062634"	168.43419	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2H+Na"	25.00377
"1270876"	513.332286	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+CH3OH+H"	33.033486
"391636"	999.560758	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+K"	38.963158
"752633"	1479.859558	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+K"	38.963158
"1555012"	519.261958	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+K"	38.963158
"310768"	500.284017	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+H+K"	39.970434
"704282"	740.433417	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+H+K"	39.970434
"1457009"	260.134617	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H+K"	39.970434
"241235"	1002.631426	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+ACN+H"	42.033826
"1214671"	522.332626	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+ACN+H"	42.033826
"1197096"	261.669951	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+ACN+2H"	43.041102
"191432"	1005.56876	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+2Na-H"	44.97116
"630630"	1485.86756	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+2Na-H"	44.97116
"1132681"	525.26996	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2Na-H"	44.97116
"178158"	503.288018	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+2Na"	45.978436
"618813"	743.437418	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+2Na"	45.978436
"1124509"	263.138618	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2Na"	45.978436
"1406940"	175.761504	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H+2Na"	46.985712
"1437961"	527.311546	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H+HCOOH"	47.012746
"228752"	508.32104	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+3H2O+2H"	56.04448
"1517912"	541.36359	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+IsoProp+H"	61.06479
"420880"	511.274988	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+Na+K"	61.952376
"784063"	751.424388	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+Na+K"	61.952376
"1678206"	271.125588	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Na+K"	61.952376
"263632"	1024.613368	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+ACN+Na"	64.015768
"1229053"	544.314568	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+ACN+Na"	64.015768
"1717575"	544.338093	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+NH4+HCOOH"	64.039293
"1184024"	183.088818	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+3Na"	68.967654
"1658293"	549.293488	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Na+HCOOH"	68.994688
"161874"	1037.51664	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+2K-H"	76.91904
"609091"	1517.81544	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+2K-H"	76.91904
"1096155"	557.21784	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2K-H"	76.91904
"146051"	519.261958	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"2M+2K"	77.926316
"589621"	759.411358	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"3M+2K"	77.926316
"1076320"	279.112558	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2K"	77.926316
"1107707"	559.232392	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2K+H"	78.933592
"1344090"	559.320007	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+DMSO+H"	79.021207
"1012622"	563.359176	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2ACN+H"	83.060376
"1534026"	564.352808	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+IsoProp+Na+H"	84.054008
"1000474"	282.183226	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+2ACN+2H"	84.067652
"1597164"	565.267428	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+K+HCOOH"	84.968628
"1416265"	595.298938	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+H+CF3COOH"	115.000138
"1152031"	302.696501	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+3ACN+2H"	125.094202
"1698302"	612.325485	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+NH4+CF3COOH"	132.026685
"1645981"	617.28088	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+Na+CF3COOH"	136.98208
"1581631"	633.25482	"C09421"	"Emetine"	"C29H40N2O4"	"480.2988"	"M+K+CF3COOH"	152.95602
"805434"	285.1365	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M"	0
"985528"	266.11811	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"75959"	189.083724	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"516622"	284.129224	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"893332"	94.038224	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"11905"	284.129224	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"453652"	426.697474	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"831454"	141.560974	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"92908"	569.265724	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"533077"	854.402224	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"908811"	284.129224	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"54436"	586.292271	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"500196"	871.428771	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"878000"	301.155771	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"44319"	591.247666	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"483635"	876.384166	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"862530"	306.111166	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1632672"	306.111166	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"106403"	302.117563	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"544870"	444.685813	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"937292"	159.549313	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"275847"	605.242402	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"670453"	890.378902	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1283949"	320.105902	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"27600"	607.221606	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"464977"	892.358106	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"837675"	322.085106	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1559337"	322.085106	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"950501"	330.134694	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"367622"	615.271201	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"352234"	629.286851	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1500706"	344.150351	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"967154"	352.116651	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"112781"	320.105902	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"554894"	462.674152	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1029887"	177.537652	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1242904"	364.055385	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1307174"	366.111372	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1320660"	388.093329	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"911718"	398.122086	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1289892"	434.098764	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1368418"	250.123824	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1384458"	268.1338	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"285969"	571.280276	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"683858"	856.416776	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1360206"	286.143776	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"135283"	286.143776	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"578125"	428.712026	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1049842"	143.575526	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"212640"	191.098276	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"650016"	286.143776	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1169235"	96.052776	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"427041"	588.306823	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"794596"	873.443323	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1688740"	303.170323	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"335924"	294.6570495	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"727252"	437.2252995	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1478397"	152.0887995	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"400843"	593.262218	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"761837"	878.398718	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1608844"	308.125718	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"324348"	297.134747	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"714583"	439.702997	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1473874"	154.566497	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1063838"	103.38009	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1268799"	318.169986	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"392476"	609.236158	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"753963"	894.372658	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1555164"	324.099658	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"312702"	305.121717	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"704394"	447.689967	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1457119"	162.553467	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"243532"	612.306826	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1214054"	327.170326	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1197206"	164.088801	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"191178"	615.24416	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"632562"	900.38066	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1133518"	330.10766	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"178268"	308.125718	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"618923"	450.693968	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1122430"	165.557468	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1403039"	110.707404	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1437342"	332.149246	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"221935"	313.15874	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1518022"	346.20129	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"420990"	316.112688	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"785526"	458.680938	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1678316"	173.544438	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"263742"	634.288768	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1228801"	349.152268	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1715134"	349.175793	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1182312"	118.034718	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1654393"	354.131188	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"161255"	647.19204	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"607012"	932.32854	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1094806"	362.05554	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"148349"	324.099658	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"585720"	466.667908	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1074608"	181.531408	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1106721"	364.070092	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1343106"	364.157707	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1012732"	368.196876	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1534136"	369.190508	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"999491"	184.602076	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1595088"	370.105128	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1416375"	400.136638	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1152141"	205.115351	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1707161"	417.163185	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1643905"	422.11858	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1581741"	438.09252	"C09422"	"Erysonine"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"803356"	313.1678	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M"	0
"977981"	294.14941	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-H2O-H"	-19.01839
"64762"	207.771257333333	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M-3H"	-3.021828
"514540"	312.160524	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M-3H"	-3.021828
"895352"	103.381990666667	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-3H"	-3.021828
"12015"	312.160524	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M-2H"	-2.014552
"453762"	468.744424	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M-2H"	-2.014552
"829377"	155.576624	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-2H"	-2.014552
"94196"	625.328324	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M-H"	-1.007276
"533063"	938.496124	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M-H"	-1.007276
"911072"	312.160524	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-H"	-1.007276
"55639"	642.354871	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M-2H+NH4"	16.019271
"502130"	955.522671	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M-2H+NH4"	16.019271
"879367"	329.187071	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-2H+NH4"	16.019271
"45278"	647.310266	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M-2H+Na"	20.974666
"483745"	960.478066	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M-2H+Na"	20.974666
"860451"	334.142466	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-2H+Na"	20.974666
"1633267"	334.142466	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Na-2H"	20.974666
"106512"	330.148863	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M-H+Cl"	33.962126
"544979"	486.732763	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M-H+Cl"	33.962126
"938495"	173.564963	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-H+Cl"	33.962126
"278143"	661.305002	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+Cl"	34.969402
"671656"	974.472802	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+Cl"	34.969402
"1284059"	348.137202	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Cl"	34.969402
"27709"	663.284206	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M-2H+K"	36.948606
"459253"	976.452006	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M-2H+K"	36.948606
"836693"	350.116406	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-2H+K"	36.948606
"1563094"	350.116406	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+K-2H"	36.948606
"948788"	358.165994	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-H+HCOOH"	44.998194
"364452"	671.333801	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+HCOOH-H"	44.998201
"349792"	685.349451	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+Hac-H"	59.013851
"1497535"	372.181651	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Hac-H"	59.013851
"965077"	380.147951	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-H+NaCOOH"	66.980151
"110184"	348.137202	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+2Cl"	69.938804
"550992"	504.721102	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+2Cl"	69.938804
"1024164"	191.553302	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2Cl"	69.938804
"1245202"	392.086685	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Br"	78.918885
"1305827"	394.142672	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Cl+HCOOH"	80.974872
"1320769"	416.124629	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Cl+NaCOOH"	102.956829
"911419"	426.153386	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M-H+CF3COOH"	112.985586
"1289274"	462.130064	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Cl+CF3COOH"	148.962264
"1368164"	278.155124	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H-2H2O"	-35.012676
"1382986"	296.1651	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H-H2O"	-17.0027
"284013"	627.342876	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+H"	1.007276
"683968"	940.510676	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+H"	1.007276
"1352296"	314.175076	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H"	1.007276
"131019"	314.175076	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+2H"	2.014552
"576048"	470.758976	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+2H"	2.014552
"1046672"	157.591176	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2H"	2.014552
"211657"	209.785809333333	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+3H"	3.021828
"650126"	314.175076	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+3H"	3.021828
"1169345"	105.396542666667	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+3H"	3.021828
"430431"	644.369423	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+NH4"	18.033823
"796893"	957.537223	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+NH4"	18.033823
"1688849"	331.201623	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+NH4"	18.033823
"337127"	322.6883495	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+H+NH4"	19.041099
"730641"	479.2722495	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+H+NH4"	19.041099
"1478265"	166.1044495	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H+NH4"	19.041099
"400953"	649.324818	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+Na"	22.989218
"763041"	962.492618	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+Na"	22.989218
"1608953"	336.157018	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Na"	22.989218
"323000"	325.166047	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+H+Na"	23.996494
"713965"	481.749947	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+H+Na"	23.996494
"1476050"	168.582147	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H+Na"	23.996494
"1065042"	112.723856666667	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2H+Na"	25.00377
"1265629"	346.201286	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+CH3OH+H"	33.033486
"389305"	665.298758	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+K"	38.963158
"752852"	978.466558	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+K"	38.963158
"1554180"	352.130958	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+K"	38.963158
"309896"	333.153017	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+H+K"	39.970434
"705597"	489.736917	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+H+K"	39.970434
"1459415"	176.569117	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H+K"	39.970434
"243641"	668.369426	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+ACN+H"	42.033826
"1214527"	355.201626	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+ACN+H"	42.033826
"1195857"	178.104451	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+ACN+2H"	43.041102
"192017"	671.30676	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+2Na-H"	44.97116
"633765"	984.47456	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+2Na-H"	44.97116
"1135086"	358.13896	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2Na-H"	44.97116
"176312"	336.157018	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+2Na"	45.978436
"616847"	492.740918	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+2Na"	45.978436
"1121811"	179.573118	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2Na"	45.978436
"1399746"	120.051170666667	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H+2Na"	46.985712
"1434536"	360.180546	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H+HCOOH"	47.012746
"221193"	341.19004	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+3H2O+2H"	56.04448
"1514848"	374.23259	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+IsoProp+H"	61.06479
"415632"	344.143988	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+Na+K"	61.952376
"782095"	500.727888	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+Na+K"	61.952376
"1678426"	187.560088	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Na+K"	61.952376
"260572"	690.351368	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+ACN+Na"	64.015768
"1230001"	377.183568	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+ACN+Na"	64.015768
"1717793"	377.207093	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+NH4+HCOOH"	64.039293
"1182422"	127.378484666667	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+3Na"	68.967654
"1652315"	382.162488	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Na+HCOOH"	68.994688
"157714"	703.25464	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+2K-H"	76.91904
"606029"	1016.42244	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+2K-H"	76.91904
"1094916"	390.08684	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2K-H"	76.91904
"148459"	352.130958	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"2M+2K"	77.926316
"586923"	508.714858	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"3M+2K"	77.926316
"1073625"	195.547058	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2K"	77.926316
"1105738"	392.101392	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2K+H"	78.933592
"1343216"	392.189007	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+DMSO+H"	79.021207
"1010655"	396.228176	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2ACN+H"	83.060376
"1533153"	397.221808	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+IsoProp+Na+H"	84.054008
"997415"	198.617726	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+2ACN+2H"	84.067652
"1594104"	398.136428	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+K+HCOOH"	84.968628
"1417213"	428.167938	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+H+CF3COOH"	115.000138
"1152251"	219.131001	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+3ACN+2H"	125.094202
"1709458"	445.194485	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+NH4+CF3COOH"	132.026685
"1648388"	450.14988	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+Na+CF3COOH"	136.98208
"1581851"	466.12382	"C09423"	"Erysotrine"	"C19H23NO3"	"313.1678"	"M+K+CF3COOH"	152.95602
"805654"	331.1784	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M"	0
"978091"	312.16001	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-H2O-H"	-19.01839
"65239"	219.778324	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M-3H"	-3.021828
"513557"	330.171124	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M-3H"	-3.021828
"894848"	109.385524	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-3H"	-3.021828
"14312"	330.171124	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M-2H"	-2.014552
"452779"	495.760324	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M-2H"	-2.014552
"832750"	164.581924	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-2H"	-2.014552
"94103"	661.349524	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M-H"	-1.007276
"533781"	992.527924	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M-H"	-1.007276
"911321"	330.171124	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-H"	-1.007276
"60124"	678.376071	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M-2H+NH4"	16.019271
"498592"	1009.554471	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M-2H+NH4"	16.019271
"876394"	347.197671	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-2H+NH4"	16.019271
"45387"	683.331466	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M-2H+Na"	20.974666
"486407"	1014.509866	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M-2H+Na"	20.974666
"863115"	352.153066	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-2H+Na"	20.974666
"1633013"	352.153066	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Na-2H"	20.974666
"108810"	348.159463	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M-H+Cl"	33.962126
"545089"	513.748663	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M-H+Cl"	33.962126
"939697"	182.570263	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-H+Cl"	33.962126
"278253"	697.326202	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+Cl"	34.969402
"671766"	1028.504602	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+Cl"	34.969402
"1287940"	366.147802	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Cl"	34.969402
"26726"	699.305406	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M-2H+K"	36.948606
"464103"	1030.483806	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M-2H+K"	36.948606
"841907"	368.127006	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-2H+K"	36.948606
"1562111"	368.127006	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+K-2H"	36.948606
"948899"	376.176594	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-H+HCOOH"	44.998194
"366021"	707.355001	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+HCOOH-H"	44.998201
"349174"	721.370651	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+Hac-H"	59.013851
"1497645"	390.192251	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Hac-H"	59.013851
"967374"	398.158551	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-H+NaCOOH"	66.980151
"111912"	366.147802	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+2Cl"	69.938804
"554750"	531.737002	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+2Cl"	69.938804
"1030108"	200.558602	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2Cl"	69.938804
"1246407"	410.097285	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Br"	78.918885
"1314321"	412.153272	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Cl+HCOOH"	80.974872
"1324161"	434.135229	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Cl+NaCOOH"	102.956829
"911858"	444.163986	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M-H+CF3COOH"	112.985586
"1289380"	480.140664	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Cl+CF3COOH"	148.962264
"1368638"	296.165724	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H-2H2O"	-35.012676
"1384311"	314.1757	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H-H2O"	-17.0027
"285096"	663.364076	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+H"	1.007276
"685172"	994.542476	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+H"	1.007276
"1358239"	332.185676	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H"	1.007276
"133316"	332.185676	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+2H"	2.014552
"575066"	497.774876	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+2H"	2.014552
"1044959"	166.596476	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2H"	2.014552
"211767"	221.792876	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+3H"	3.021828
"650237"	332.185676	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+3H"	3.021828
"1169455"	111.400076	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+3H"	3.021828
"433822"	680.390623	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+NH4"	18.033823
"795910"	1011.569023	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+NH4"	18.033823
"1691147"	349.212223	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+NH4"	18.033823
"339426"	340.6989495	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+H+NH4"	19.041099
"730752"	506.2881495	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+H+NH4"	19.041099
"1481291"	175.1097495	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H+NH4"	19.041099
"399969"	685.346018	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+Na"	22.989218
"759872"	1016.524418	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+Na"	22.989218
"1606876"	354.167618	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Na"	22.989218
"321290"	343.176647	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+H+Na"	23.996494
"715899"	508.765847	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+H+Na"	23.996494
"1474459"	177.587447	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H+Na"	23.996494
"1066246"	118.72739	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2H+Na"	25.00377
"1263553"	364.211886	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+CH3OH+H"	33.033486
"390873"	701.319958	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+K"	38.963158
"750411"	1032.498358	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+K"	38.963158
"1553925"	370.141558	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+K"	38.963158
"307819"	351.163617	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+H+K"	39.970434
"701332"	516.752817	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+H+K"	39.970434
"1458801"	185.574417	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H+K"	39.970434
"242657"	704.390626	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+ACN+H"	42.033826
"1211721"	373.212226	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+ACN+H"	42.033826
"1195974"	187.109751	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+ACN+2H"	43.041102
"192132"	707.32796	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+2Na-H"	44.97116
"630718"	1038.50636	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+2Na-H"	44.97116
"1139210"	376.14956	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2Na-H"	44.97116
"175451"	354.167618	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+2Na"	45.978436
"617322"	519.756818	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+2Na"	45.978436
"1120829"	188.578418	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2Na"	45.978436
"1402530"	126.054704	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H+2Na"	46.985712
"1434283"	378.191146	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H+HCOOH"	47.012746
"225803"	359.20064	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+3H2O+2H"	56.04448
"1519335"	392.24319	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+IsoProp+H"	61.06479
"416837"	362.154588	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+Na+K"	61.952376
"780019"	527.743788	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+Na+K"	61.952376
"1679629"	196.565388	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Na+K"	61.952376
"262869"	726.372568	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+ACN+Na"	64.015768
"1229018"	395.194168	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+ACN+Na"	64.015768
"1715719"	395.217693	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+NH4+HCOOH"	64.039293
"1182532"	133.382018	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+3Na"	68.967654
"1653154"	400.173088	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Na+HCOOH"	68.994688
"157378"	739.27584	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+2K-H"	76.91904
"599942"	1070.45424	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+2K-H"	76.91904
"1091746"	408.09744	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2K-H"	76.91904
"144189"	370.141558	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"2M+2K"	77.926316
"587033"	535.730758	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"3M+2K"	77.926316
"1075921"	204.552358	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2K"	77.926316
"1109128"	410.111992	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2K+H"	78.933592
"1345513"	410.199607	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+DMSO+H"	79.021207
"1015138"	414.238776	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2ACN+H"	83.060376
"1534358"	415.232408	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+IsoProp+Na+H"	84.054008
"1001901"	207.623026	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+2ACN+2H"	84.067652
"1597497"	416.147028	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+K+HCOOH"	84.968628
"1419877"	446.178538	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+H+CF3COOH"	115.000138
"1155635"	228.136301	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+3ACN+2H"	125.094202
"1710298"	463.205085	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+NH4+CF3COOH"	132.026685
"1647405"	468.16048	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+Na+CF3COOH"	136.98208
"1581961"	484.13442	"C09424"	"Erythratidine"	"C19H25NO4"	"331.1784"	"M+K+CF3COOH"	152.95602
"802484"	428.1238	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M"	0
"977107"	409.10541	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-H2O-H"	-19.01839
"64255"	284.408590666667	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M-3H"	-3.021828
"514760"	427.116524	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M-3H"	-3.021828
"894754"	141.700657333333	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-3H"	-3.021828
"12236"	427.116524	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M-2H"	-2.014552
"449609"	641.178424	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M-2H"	-2.014552
"832034"	213.054624	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-2H"	-2.014552
"92873"	855.240324	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M-H"	-1.007276
"533283"	1283.364124	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M-H"	-1.007276
"909509"	427.116524	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-H"	-1.007276
"60233"	872.266871	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M-2H+NH4"	16.019271
"497609"	1300.390671	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M-2H+NH4"	16.019271
"874317"	444.143071	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-2H+NH4"	16.019271
"45501"	877.222266	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M-2H+Na"	20.974666
"484331"	1305.346066	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M-2H+Na"	20.974666
"862131"	449.098466	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-2H+Na"	20.974666
"1632636"	449.098466	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Na-2H"	20.974666
"103451"	445.104863	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M-H+Cl"	33.962126
"545198"	659.166763	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M-H+Cl"	33.962126
"932518"	231.042963	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-H+Cl"	33.962126
"280187"	891.217002	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+Cl"	34.969402
"672970"	1319.340802	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+Cl"	34.969402
"1287077"	463.093202	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Cl"	34.969402
"26836"	893.196206	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M-2H+K"	36.948606
"464213"	1321.320006	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M-2H+K"	36.948606
"838737"	465.072406	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-2H+K"	36.948606
"1557845"	465.072406	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+K-2H"	36.948606
"944999"	473.121994	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-H+HCOOH"	44.998194
"365038"	901.245801	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+HCOOH-H"	44.998201
"349284"	915.261451	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+Hac-H"	59.013851
"1495566"	487.137651	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Hac-H"	59.013851
"962381"	495.103951	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-H+NaCOOH"	66.980151
"110927"	463.093202	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+2Cl"	69.938804
"550969"	677.155102	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+2Cl"	69.938804
"1023291"	249.031302	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2Cl"	69.938804
"1249795"	507.042685	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Br"	78.918885
"1314431"	509.098672	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Cl+HCOOH"	80.974872
"1324637"	531.080629	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Cl+NaCOOH"	102.956829
"912776"	541.109386	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M-H+CF3COOH"	112.985586
"1288595"	577.086064	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Cl+CF3COOH"	148.962264
"1368380"	393.111124	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H-2H2O"	-35.012676
"1383332"	411.1211	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H-H2O"	-17.0027
"292862"	857.254876	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+H"	1.007276
"686377"	1285.378676	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+H"	1.007276
"1355069"	429.131076	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H"	1.007276
"133426"	429.131076	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+2H"	2.014552
"572989"	643.192976	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+2H"	2.014552
"1046161"	215.069176	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2H"	2.014552
"210783"	286.423142666667	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+3H"	3.021828
"650346"	429.131076	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+3H"	3.021828
"1168472"	143.715209333333	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+3H"	3.021828
"432839"	874.281423	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+NH4"	18.033823
"796020"	1302.405223	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+NH4"	18.033823
"1694174"	446.157623	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+NH4"	18.033823
"340629"	437.6443495	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+H+NH4"	19.041099
"733048"	651.7062495	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+H+NH4"	19.041099
"1481401"	223.5824495	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H+NH4"	19.041099
"398986"	879.236818	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+Na"	22.989218
"763262"	1307.360618	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+Na"	22.989218
"1612454"	451.113018	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Na"	22.989218
"321400"	440.122047	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+H+Na"	23.996494
"714915"	654.183947	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+H+Na"	23.996494
"1476150"	226.060147	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H+Na"	23.996494
"1066358"	151.042523333333	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2H+Na"	25.00377
"1269129"	461.157286	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+CH3OH+H"	33.033486
"389891"	895.210758	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+K"	38.963158
"751249"	1323.334558	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+K"	38.963158
"1553666"	467.086958	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+K"	38.963158
"305739"	448.109017	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+H+K"	39.970434
"703627"	662.170917	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+H+K"	39.970434
"1459274"	234.047117	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H+K"	39.970434
"238028"	898.281426	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+ACN+H"	42.033826
"1214387"	470.157626	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+ACN+H"	42.033826
"1198273"	235.582451	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+ACN+2H"	43.041102
"195521"	901.21876	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+2Na-H"	44.97116
"635081"	1329.34256	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+2Na-H"	44.97116
"1138956"	473.09496	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2Na-H"	44.97116
"181882"	451.113018	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+2Na"	45.978436
"619620"	665.174918	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+2Na"	45.978436
"1123126"	237.051118	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2Na"	45.978436
"1404463"	158.369837333333	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H+2Na"	46.985712
"1436216"	475.136546	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H+HCOOH"	47.012746
"229197"	456.14604	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+3H2O+2H"	56.04448
"1515074"	489.18859	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+IsoProp+H"	61.06479
"416947"	459.099988	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+Na+K"	61.952376
"779036"	673.161888	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+Na+K"	61.952376
"1675366"	245.038088	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Na+K"	61.952376
"259699"	920.263368	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+ACN+Na"	64.015768
"1227673"	492.139568	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+ACN+Na"	64.015768
"1713399"	492.163093	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+NH4+HCOOH"	64.039293
"1179727"	165.697151333333	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+3Na"	68.967654
"1650219"	497.118488	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Na+HCOOH"	68.994688
"160857"	933.16664	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+2K-H"	76.91904
"600783"	1361.29044	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+2K-H"	76.91904
"1087116"	505.04284	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2K-H"	76.91904
"141535"	467.086958	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"2M+2K"	77.926316
"584957"	681.148858	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"3M+2K"	77.926316
"1074936"	253.025058	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2K"	77.926316
"1105959"	507.057392	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2K+H"	78.933592
"1340158"	507.145007	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+DMSO+H"	79.021207
"1014155"	511.184176	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2ACN+H"	83.060376
"1533376"	512.177808	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+IsoProp+Na+H"	84.054008
"1000917"	256.095726	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+2ACN+2H"	84.067652
"1597606"	513.092428	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+K+HCOOH"	84.968628
"1418894"	543.123938	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+H+CF3COOH"	115.000138
"1155745"	276.609001	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+3ACN+2H"	125.094202
"1703109"	560.150485	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+NH4+CF3COOH"	132.026685
"1645328"	565.10588	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+Na+CF3COOH"	136.98208
"1582071"	581.07982	"C09425"	"Eupachloroxin"	"C20H25ClO8"	"428.1238"	"M+K+CF3COOH"	152.95602
"815718"	339.1471	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M"	0
"985970"	320.12871	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"68745"	225.090790666667	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"518280"	338.139824	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"895232"	112.041757333333	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"14412"	338.139824	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"451909"	507.713374	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"831412"	168.566274	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"91767"	677.286924	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"533275"	1016.434024	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"909984"	338.139824	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"61077"	694.313471	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"501004"	1033.460571	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"877708"	355.166371	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"45857"	699.268866	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"485904"	1038.415966	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"862490"	360.121766	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1632991"	360.121766	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"104656"	356.128163	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"548228"	525.701713	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"937732"	186.554613	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"281028"	713.263602	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"673081"	1052.410702	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1283299"	374.116502	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"26950"	715.242806	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"464323"	1054.389906	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"839941"	376.095706	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1562335"	376.095706	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"948030"	384.145294	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"367339"	723.292401	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"351224"	737.308051	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1493974"	398.160951	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"959086"	406.127251	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"110908"	374.116502	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"550715"	543.690052	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1029963"	204.542952	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1244070"	418.065985	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1307251"	420.121972	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1321467"	442.103929	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"911797"	452.132686	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1290332"	488.109364	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1367646"	304.134424	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1386722"	322.1444	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"295158"	679.301476	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"684297"	1018.448576	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1352021"	340.154376	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"130259"	340.154376	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"572004"	509.727926	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1045178"	170.580826	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"210896"	227.105342666667	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"655925"	340.154376	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1176970"	114.056309333333	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"438416"	696.328023	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"800387"	1035.475123	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1693555"	357.180923	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"337459"	348.6676495	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"733161"	518.2411995	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1484793"	179.0940995	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"400193"	701.283418	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"762279"	1040.430518	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1611474"	362.136318	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"324792"	351.145347	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"718306"	520.718897	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1473221"	181.571797	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1059908"	121.383623333333	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1267052"	372.180586	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"387810"	717.257358	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"745527"	1056.404458	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1546486"	378.110258	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"302569"	359.132317	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"696084"	528.705867	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1456463"	189.558767	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"242876"	720.328026	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1211937"	381.180926	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1195461"	191.094101	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"189186"	723.26536	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"635189"	1062.41246	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1134325"	384.11826	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"174456"	362.136318	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"614989"	531.709868	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1121413"	192.562768	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1398980"	128.710937333333	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1432680"	386.159846	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"222383"	367.16934	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1513362"	400.21189	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"414870"	370.123288	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"776959"	539.696838	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1671102"	200.549738	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"252884"	742.309968	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1226688"	403.162868	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1719223"	403.186393	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1179270"	136.038251333333	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1653376"	408.141788	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"159144"	755.21324	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"597238"	1094.36034	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1084205"	416.06614	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"142577"	378.110258	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"595886"	547.683808	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1078331"	208.536708	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1104980"	418.080692	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1343551"	418.168307	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1014266"	422.207476	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1532391"	423.201108	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"1001029"	211.607376	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1594438"	424.115728	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1423379"	454.147238	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1155857"	232.120651	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1706502"	471.173785	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1648354"	476.12918	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1582181"	492.10312	"C09426"	"Eschscholtzidine;(5S)-561112-Tetrahydro-89-dimethoxy-14-methyl-benzo56cycloocta12-f-13-benzodioxol-511-imine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"802705"	404.1835	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M"	0
"974778"	385.16511	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-H2O-H"	-19.01839
"64112"	268.448390666667	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M-3H"	-3.021828
"517538"	403.176224	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M-3H"	-3.021828
"894976"	133.720557333333	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-3H"	-3.021828
"13550"	403.176224	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M-2H"	-2.014552
"455381"	605.267974	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M-2H"	-2.014552
"832251"	201.084474	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-2H"	-2.014552
"93342"	807.359724	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M-H"	-1.007276
"531559"	1211.543224	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M-H"	-1.007276
"908997"	403.176224	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-H"	-1.007276
"61550"	824.386271	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M-2H+NH4"	16.019271
"501356"	1228.569771	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M-2H+NH4"	16.019271
"878670"	420.202771	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-2H+NH4"	16.019271
"44260"	829.341666	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M-2H+Na"	20.974666
"486493"	1233.525166	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M-2H+Na"	20.974666
"863081"	425.158166	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-2H+Na"	20.974666
"1633993"	425.158166	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Na-2H"	20.974666
"108047"	421.164563	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M-H+Cl"	33.962126
"549394"	623.256313	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M-H+Cl"	33.962126
"938935"	219.072813	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-H+Cl"	33.962126
"279677"	843.336402	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+Cl"	34.969402
"673191"	1247.519902	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+Cl"	34.969402
"1283409"	439.152902	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Cl"	34.969402
"27061"	845.315606	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M-2H+K"	36.948606
"467713"	1249.499106	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M-2H+K"	36.948606
"840051"	441.132106	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-2H+K"	36.948606
"1562445"	441.132106	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+K-2H"	36.948606
"949234"	449.181694	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-H+HCOOH"	44.998194
"366356"	853.365201	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+HCOOH-H"	44.998201
"352427"	867.380851	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+Hac-H"	59.013851
"1493601"	463.197351	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Hac-H"	59.013851
"960166"	471.163651	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-H+NaCOOH"	66.980151
"110533"	439.152902	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+2Cl"	69.938804
"551066"	641.244652	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+2Cl"	69.938804
"1031531"	237.061152	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2Cl"	69.938804
"1244546"	483.102385	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Br"	78.918885
"1306268"	485.158372	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Cl+HCOOH"	80.974872
"1320847"	507.140329	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Cl+NaCOOH"	102.956829
"913730"	517.169086	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M-H+CF3COOH"	112.985586
"1290442"	553.145764	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Cl+CF3COOH"	148.962264
"1368238"	369.170824	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H-2H2O"	-35.012676
"1384279"	387.1808	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H-H2O"	-17.0027
"290893"	809.374276	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+H"	1.007276
"684407"	1213.557776	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+H"	1.007276
"1354196"	405.190776	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H"	1.007276
"128180"	405.190776	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+2H"	2.014552
"568834"	607.282526	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+2H"	2.014552
"1046380"	203.099026	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2H"	2.014552
"213192"	270.462942666667	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+3H"	3.021828
"648380"	405.190776	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+3H"	3.021828
"1174161"	135.735109333333	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+3H"	3.021828
"434152"	826.400823	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+NH4"	18.033823
"798428"	1230.584323	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+NH4"	18.033823
"1692571"	422.217323	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+NH4"	18.033823
"334289"	413.7040495	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+H+NH4"	19.041099
"729990"	615.7957995	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+H+NH4"	19.041099
"1483809"	211.6122995	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H+NH4"	19.041099
"401396"	831.356218	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+Na"	22.989218
"758017"	1235.539718	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+Na"	22.989218
"1612677"	427.172718	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Na"	22.989218
"322715"	416.181747	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+H+Na"	23.996494
"711854"	618.273497	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+H+Na"	23.996494
"1475154"	214.089997	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H+Na"	23.996494
"1062204"	143.062423333333	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2H+Na"	25.00377
"1264975"	437.216986	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+CH3OH+H"	33.033486
"382455"	847.330158	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+K"	38.963158
"743451"	1251.513658	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+K"	38.963158
"1546596"	443.146658	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+K"	38.963158
"304866"	424.168717	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+H+K"	39.970434
"695101"	626.260467	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+H+K"	39.970434
"1453294"	222.076967	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H+K"	39.970434
"241895"	850.400826	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+ACN+H"	42.033826
"1210953"	446.217326	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+ACN+H"	42.033826
"1195814"	223.612301	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+ACN+2H"	43.041102
"190509"	853.33816	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+2Na-H"	44.97116
"630073"	1257.52166	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+2Na-H"	44.97116
"1136618"	449.15466	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2Na-H"	44.97116
"175534"	427.172718	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+2Na"	45.978436
"614486"	629.264468	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+2Na"	45.978436
"1118967"	225.080968	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2Na"	45.978436
"1400181"	150.389737333333	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H+2Na"	46.985712
"1432182"	451.196246	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H+HCOOH"	47.012746
"223952"	432.20574	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+3H2O+2H"	56.04448
"1514201"	465.24829	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+IsoProp+H"	61.06479
"416073"	435.159688	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+Na+K"	61.952376
"772694"	637.251438	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+Na+K"	61.952376
"1673399"	233.067938	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Na+K"	61.952376
"256639"	872.382768	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+ACN+Na"	64.015768
"1226435"	468.199268	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+ACN+Na"	64.015768
"1718969"	468.222793	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+NH4+HCOOH"	64.039293
"1180312"	157.717051333333	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+3Na"	68.967654
"1653486"	473.178188	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Na+HCOOH"	68.994688
"159254"	885.28604	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+2K-H"	76.91904
"597352"	1289.46954	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+2K-H"	76.91904
"1085142"	481.10254	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2K-H"	76.91904
"142200"	443.146658	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"2M+2K"	77.926316
"591742"	645.238408	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"3M+2K"	77.926316
"1079534"	241.054908	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2K"	77.926316
"1113111"	483.117092	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2K+H"	78.933592
"1344756"	483.204707	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+DMSO+H"	79.021207
"1018751"	487.243876	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2ACN+H"	83.060376
"1531407"	488.237508	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+IsoProp+Na+H"	84.054008
"1001139"	244.125576	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+2ACN+2H"	84.067652
"1593455"	489.152128	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+K+HCOOH"	84.968628
"1426770"	519.183638	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+H+CF3COOH"	115.000138
"1155967"	264.638851	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+3ACN+2H"	125.094202
"1706612"	536.210185	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+NH4+CF3COOH"	132.026685
"1648464"	541.16558	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+Na+CF3COOH"	136.98208
"1582291"	557.13952	"C09427"	"Eupacunin"	"C22H28O7"	"404.1835"	"M+K+CF3COOH"	152.95602
"803909"	420.1784	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M"	0
"976348"	401.16001	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-H2O-H"	-19.01839
"67870"	279.111657333333	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M-3H"	-3.021828
"515090"	419.171124	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M-3H"	-3.021828
"895210"	139.052190666667	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-3H"	-3.021828
"15555"	419.171124	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M-2H"	-2.014552
"455632"	629.260324	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M-2H"	-2.014552
"832763"	209.081924	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-2H"	-2.014552
"94215"	839.349524	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M-H"	-1.007276
"534072"	1259.527924	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M-H"	-1.007276
"911278"	419.171124	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-H"	-1.007276
"62636"	856.376071	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M-2H+NH4"	16.019271
"502438"	1276.554471	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M-2H+NH4"	16.019271
"876833"	436.197671	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-2H+NH4"	16.019271
"46561"	861.331466	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M-2H+Na"	20.974666
"486812"	1281.509866	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M-2H+Na"	20.974666
"863681"	441.153066	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-2H+Na"	20.974666
"1633898"	441.153066	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Na-2H"	20.974666
"105969"	437.159463	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M-H+Cl"	33.962126
"549793"	647.248663	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M-H+Cl"	33.962126
"942729"	227.070263	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-H+Cl"	33.962126
"282815"	875.326202	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+Cl"	34.969402
"675609"	1295.504602	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+Cl"	34.969402
"1288018"	455.147802	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Cl"	34.969402
"27171"	877.305406	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M-2H+K"	36.948606
"467823"	1297.483806	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M-2H+K"	36.948606
"840161"	457.127006	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-2H+K"	36.948606
"1560367"	457.127006	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+K-2H"	36.948606
"950437"	465.176594	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-H+HCOOH"	44.998194
"369746"	885.355001	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+HCOOH-H"	44.998201
"354725"	899.370651	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+Hac-H"	59.013851
"1493829"	479.192251	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Hac-H"	59.013851
"959308"	487.158551	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-H+NaCOOH"	66.980151
"110770"	455.147802	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+2Cl"	69.938804
"551420"	665.237002	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+2Cl"	69.938804
"1034195"	245.058602	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2Cl"	69.938804
"1242471"	499.097285	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Br"	78.918885
"1305282"	501.153272	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Cl+HCOOH"	80.974872
"1323874"	523.135229	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Cl+NaCOOH"	102.956829
"914205"	533.163986	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M-H+CF3COOH"	112.985586
"1290550"	569.140664	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Cl+CF3COOH"	148.962264
"1368714"	385.165724	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H-2H2O"	-35.012676
"1386943"	403.1757	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H-H2O"	-17.0027
"291005"	841.364076	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+H"	1.007276
"684520"	1261.542476	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+H"	1.007276
"1354308"	421.185676	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H"	1.007276
"131572"	421.185676	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+2H"	2.014552
"574413"	631.274876	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+2H"	2.014552
"1045398"	211.096476	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2H"	2.014552
"214395"	281.126209333333	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+3H"	3.021828
"651770"	421.185676	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+3H"	3.021828
"1174271"	141.066742666667	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+3H"	3.021828
"435355"	858.390623	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+NH4"	18.033823
"800728"	1278.569023	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+NH4"	18.033823
"1694870"	438.212223	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+NH4"	18.033823
"343149"	429.6989495	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+H+NH4"	19.041099
"737392"	639.7881495	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+H+NH4"	19.041099
"1486108"	219.6097495	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H+NH4"	19.041099
"406974"	863.346018	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+Na"	22.989218
"767971"	1283.524418	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+Na"	22.989218
"1616071"	443.167618	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Na"	22.989218
"326106"	432.176647	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+H+Na"	23.996494
"720715"	642.265847	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+H+Na"	23.996494
"1473445"	222.087447	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H+Na"	23.996494
"1065597"	148.394056666667	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2H+Na"	25.00377
"1266180"	453.211886	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+CH3OH+H"	33.033486
"388034"	879.319958	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+K"	38.963158
"745748"	1299.498358	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+K"	38.963158
"1548892"	459.141558	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+K"	38.963158
"304977"	440.163617	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+H+K"	39.970434
"695210"	650.252817	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+H+K"	39.970434
"1451218"	230.074417	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H+K"	39.970434
"240913"	882.390626	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+ACN+H"	42.033826
"1212526"	462.212226	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+ACN+H"	42.033826
"1195444"	231.609751	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+ACN+2H"	43.041102
"189288"	885.32796	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+2Na-H"	44.97116
"628760"	1305.50636	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+2Na-H"	44.97116
"1137824"	465.14956	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2Na-H"	44.97116
"177105"	443.167618	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+2Na"	45.978436
"616300"	653.256818	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+2Na"	45.978436
"1121265"	233.078418	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2Na"	45.978436
"1405522"	155.721370666667	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H+2Na"	46.985712
"1434360"	467.191146	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H+HCOOH"	47.012746
"224058"	448.20064	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+3H2O+2H"	56.04448
"1509812"	481.24319	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+IsoProp+H"	61.06479
"411080"	451.154588	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+Na+K"	61.952376
"771711"	661.243788	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+Na+K"	61.952376
"1670229"	241.065388	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Na+K"	61.952376
"258937"	904.372568	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+ACN+Na"	64.015768
"1234927"	484.194168	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+ACN+Na"	64.015768
"1713482"	484.217693	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+NH4+HCOOH"	64.039293
"1178837"	163.048684666667	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+3Na"	68.967654
"1650674"	489.173088	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Na+HCOOH"	68.994688
"159364"	917.27584	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+2K-H"	76.91904
"597462"	1337.45424	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+2K-H"	76.91904
"1085137"	497.09744	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2K-H"	76.91904
"144131"	459.141558	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"2M+2K"	77.926316
"586380"	669.230758	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"3M+2K"	77.926316
"1071985"	249.052358	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2K"	77.926316
"1112857"	499.111992	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2K+H"	78.933592
"1345958"	499.199607	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+DMSO+H"	79.021207
"1016675"	503.238776	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2ACN+H"	83.060376
"1534799"	504.232408	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+IsoProp+Na+H"	84.054008
"995781"	252.123026	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+2ACN+2H"	84.067652
"1594658"	505.147028	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+K+HCOOH"	84.968628
"1417038"	535.178538	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+H+CF3COOH"	115.000138
"1152793"	272.636301	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+3ACN+2H"	125.094202
"1706723"	552.205085	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+NH4+CF3COOH"	132.026685
"1648938"	557.16048	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+Na+CF3COOH"	136.98208
"1582401"	573.13442	"C09428"	"Eupacunolin"	"C22H28O8"	"420.1784"	"M+K+CF3COOH"	152.95602
"803289"	420.1784	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M"	0
"975724"	401.16001	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-H2O-H"	-19.01839
"66887"	279.111657333333	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M-3H"	-3.021828
"513014"	419.171124	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M-3H"	-3.021828
"893003"	139.052190666667	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-3H"	-3.021828
"15194"	419.171124	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M-2H"	-2.014552
"451144"	629.260324	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M-2H"	-2.014552
"828946"	209.081924	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-2H"	-2.014552
"90031"	839.349524	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M-H"	-1.007276
"534012"	1259.527924	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M-H"	-1.007276
"911087"	419.171124	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-H"	-1.007276
"58488"	856.376071	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M-2H+NH4"	16.019271
"499141"	1276.554471	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M-2H+NH4"	16.019271
"874755"	436.197671	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-2H+NH4"	16.019271
"39374"	861.331466	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M-2H+Na"	20.974666
"483307"	1281.509866	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M-2H+Na"	20.974666
"857831"	441.153066	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-2H+Na"	20.974666
"1628458"	441.153066	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Na-2H"	20.974666
"109888"	437.159463	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M-H+Cl"	33.962126
"539444"	647.248663	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M-H+Cl"	33.962126
"938060"	227.070263	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-H+Cl"	33.962126
"271516"	875.326202	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+Cl"	34.969402
"670135"	1295.504602	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+Cl"	34.969402
"1281446"	455.147802	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Cl"	34.969402
"26191"	877.305406	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M-2H+K"	36.948606
"466843"	1297.483806	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M-2H+K"	36.948606
"840271"	457.127006	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-2H+K"	36.948606
"1556220"	457.127006	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+K-2H"	36.948606
"950548"	465.176594	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-H+HCOOH"	44.998194
"372044"	885.355001	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+HCOOH-H"	44.998201
"352647"	899.370651	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+Hac-H"	59.013851
"1499292"	479.192251	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Hac-H"	59.013851
"962460"	487.158551	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-H+NaCOOH"	66.980151
"111725"	455.147802	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+2Cl"	69.938804
"552385"	665.237002	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+2Cl"	69.938804
"1027379"	245.058602	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2Cl"	69.938804
"1243672"	499.097285	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Br"	78.918885
"1306487"	501.153272	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Cl+HCOOH"	80.974872
"1320219"	523.135229	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Cl+NaCOOH"	102.956829
"913591"	533.163986	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M-H+CF3COOH"	112.985586
"1290302"	569.140664	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Cl+CF3COOH"	148.962264
"1371745"	385.165724	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H-2H2O"	-35.012676
"1384138"	403.1757	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H-H2O"	-17.0027
"291117"	841.364076	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+H"	1.007276
"683538"	1261.542476	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+H"	1.007276
"1359887"	421.185676	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H"	1.007276
"130588"	421.185676	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+2H"	2.014552
"573430"	631.274876	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+2H"	2.014552
"1042227"	211.096476	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2H"	2.014552
"213412"	281.126209333333	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+3H"	3.021828
"657350"	421.185676	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+3H"	3.021828
"1170009"	141.066742666667	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+3H"	3.021828
"432187"	858.390623	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+NH4"	18.033823
"793182"	1278.569023	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+NH4"	18.033823
"1691699"	438.212223	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+NH4"	18.033823
"341070"	429.6989495	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+H+NH4"	19.041099
"736772"	639.7881495	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+H+NH4"	19.041099
"1488406"	219.6097495	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H+NH4"	19.041099
"405992"	863.346018	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+Na"	22.989218
"768082"	1283.524418	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+Na"	22.989218
"1611806"	443.167618	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Na"	22.989218
"321843"	432.176647	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+H+Na"	23.996494
"717544"	642.265847	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+H+Na"	23.996494
"1468086"	222.087447	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H+Na"	23.996494
"1061329"	148.394056666667	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2H+Na"	25.00377
"1266290"	453.211886	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+CH3OH+H"	33.033486
"380486"	879.319958	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+K"	38.963158
"742575"	1299.498358	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+K"	38.963158
"1542445"	459.141558	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+K"	38.963158
"306180"	440.163617	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+H+K"	39.970434
"696415"	650.252817	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+H+K"	39.970434
"1450233"	230.074417	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H+K"	39.970434
"238834"	882.390626	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+ACN+H"	42.033826
"1212636"	462.212226	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+ACN+H"	42.033826
"1194938"	231.609751	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+ACN+2H"	43.041102
"194868"	885.32796	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+2Na-H"	44.97116
"635525"	1305.50636	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+2Na-H"	44.97116
"1135748"	465.14956	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2Na-H"	44.97116
"180136"	443.167618	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+2Na"	45.978436
"614225"	653.256818	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+2Na"	45.978436
"1123203"	233.078418	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2Na"	45.978436
"1408915"	155.721370666667	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H+2Na"	46.985712
"1435562"	467.191146	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H+HCOOH"	47.012746
"223439"	448.20064	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+3H2O+2H"	56.04448
"1512234"	481.24319	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+IsoProp+H"	61.06479
"412285"	451.154588	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+Na+K"	61.952376
"774011"	661.243788	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+Na+K"	61.952376
"1673621"	241.065388	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Na+K"	61.952376
"262330"	904.372568	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+ACN+Na"	64.015768
"1237223"	484.194168	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+ACN+Na"	64.015768
"1713594"	484.217693	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+NH4+HCOOH"	64.039293
"1179796"	163.048684666667	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+3Na"	68.967654
"1650789"	489.173088	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Na+HCOOH"	68.994688
"158252"	917.27584	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+2K-H"	76.91904
"598183"	1337.45424	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+2K-H"	76.91904
"1085005"	497.09744	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2K-H"	76.91904
"142183"	459.141558	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"2M+2K"	77.926316
"587583"	669.230758	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"3M+2K"	77.926316
"1080847"	249.052358	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2K"	77.926316
"1114791"	499.111992	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2K+H"	78.933592
"1348255"	499.199607	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+DMSO+H"	79.021207
"1021040"	503.238776	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2ACN+H"	83.060376
"1537098"	504.232408	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+IsoProp+Na+H"	84.054008
"1002454"	252.123026	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+2ACN+2H"	84.067652
"1594770"	505.147028	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+K+HCOOH"	84.968628
"1426990"	535.178538	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+H+CF3COOH"	115.000138
"1158371"	272.636301	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+3ACN+2H"	125.094202
"1712297"	552.205085	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+NH4+CF3COOH"	132.026685
"1646859"	557.16048	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+Na+CF3COOH"	136.98208
"1582511"	573.13442	"C09429"	"Eupacunoxin"	"C22H28O8"	"420.1784"	"M+K+CF3COOH"	152.95602
"803035"	334.1079	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M"	0
"974744"	315.08951	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-H2O-H"	-19.01839
"66997"	221.731324	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M-3H"	-3.021828
"512030"	333.100624	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M-3H"	-3.021828
"893113"	110.362024	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-3H"	-3.021828
"14612"	333.100624	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M-2H"	-2.014552
"453441"	500.154574	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M-2H"	-2.014552
"830149"	166.046674	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-2H"	-2.014552
"90141"	667.208524	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M-H"	-1.007276
"529703"	1001.316424	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M-H"	-1.007276
"910784"	333.100624	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-H"	-1.007276
"60663"	684.235071	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M-2H+NH4"	16.019271
"493783"	1018.342971	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M-2H+NH4"	16.019271
"871586"	350.127171	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-2H+NH4"	16.019271
"34382"	689.190466	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M-2H+Na"	20.974666
"484510"	1023.298366	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M-2H+Na"	20.974666
"860127"	355.082566	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-2H+Na"	20.974666
"1623829"	355.082566	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Na-2H"	20.974666
"105095"	351.088963	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M-H+Cl"	33.962126
"541376"	518.142913	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M-H+Cl"	33.962126
"934890"	184.035013	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-H+Cl"	33.962126
"271262"	703.185202	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+Cl"	34.969402
"669152"	1037.293102	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+Cl"	34.969402
"1282650"	369.077302	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Cl"	34.969402
"23021"	705.164406	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M-2H+K"	36.948606
"464766"	1039.272306	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M-2H+K"	36.948606
"839287"	371.056506	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-2H+K"	36.948606
"1555684"	371.056506	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+K-2H"	36.948606
"950658"	379.106094	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-H+HCOOH"	44.998194
"373247"	713.214001	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+HCOOH-H"	44.998201
"350570"	727.229651	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+Hac-H"	59.013851
"1493935"	393.121751	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Hac-H"	59.013851
"959290"	401.088051	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-H+NaCOOH"	66.980151
"110619"	369.077302	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+2Cl"	69.938804
"552495"	536.131252	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+2Cl"	69.938804
"1027489"	202.023352	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2Cl"	69.938804
"1241960"	413.026785	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Br"	78.918885
"1304650"	415.082772	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Cl+HCOOH"	80.974872
"1320688"	437.064729	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Cl+NaCOOH"	102.956829
"912968"	447.093486	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M-H+CF3COOH"	112.985586
"1290776"	483.070164	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Cl+CF3COOH"	148.962264
"1374042"	299.095224	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H-2H2O"	-35.012676
"1384005"	317.1052	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H-H2O"	-17.0027
"290134"	669.223076	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+H"	1.007276
"684742"	1003.330976	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+H"	1.007276
"1356717"	335.115176	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H"	1.007276
"130698"	335.115176	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+2H"	2.014552
"570260"	502.169126	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+2H"	2.014552
"1046711"	168.061226	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2H"	2.014552
"212425"	223.745876	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+3H"	3.021828
"653084"	335.115176	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+3H"	3.021828
"1171212"	112.376576	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+3H"	3.021828
"433390"	686.249623	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+NH4"	18.033823
"795478"	1020.357523	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+NH4"	18.033823
"1692903"	352.141723	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+NH4"	18.033823
"337900"	343.6284495	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+H+NH4"	19.041099
"733602"	510.6823995	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+H+NH4"	19.041099
"1487423"	176.5744995	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H+NH4"	19.041099
"402823"	691.205018	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+Na"	22.989218
"763817"	1025.312918	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+Na"	22.989218
"1609729"	357.097118	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Na"	22.989218
"319766"	346.106147	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+H+Na"	23.996494
"715467"	513.160097	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+H+Na"	23.996494
"1464914"	179.052197	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H+Na"	23.996494
"1058160"	119.70389	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2H+Na"	25.00377
"1262027"	367.141386	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+CH3OH+H"	33.033486
"379140"	707.178958	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+K"	38.963158
"742688"	1041.286858	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+K"	38.963158
"1542555"	373.071058	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+K"	38.963158
"301917"	354.093117	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+H+K"	39.970434
"693246"	521.147067	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+H+K"	39.970434
"1446334"	187.039167	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H+K"	39.970434
"236758"	710.249626	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+ACN+H"	42.033826
"1210600"	376.141726	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+ACN+H"	42.033826
"1195534"	188.574501	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+ACN+2H"	43.041102
"191699"	713.18696	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+2Na-H"	44.97116
"630533"	1047.29486	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+2Na-H"	44.97116
"1131576"	379.07906	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2Na-H"	44.97116
"181339"	357.097118	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+2Na"	45.978436
"614699"	524.151068	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+2Na"	45.978436
"1121126"	190.043168	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2Na"	45.978436
"1407931"	127.031204	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H+2Na"	46.985712
"1433485"	381.120646	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H+HCOOH"	47.012746
"224279"	362.13014	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+3H2O+2H"	56.04448
"1514531"	395.17269	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+IsoProp+H"	61.06479
"413124"	365.084088	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+Na+K"	61.952376
"776307"	532.138038	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+Na+K"	61.952376
"1672638"	198.030138	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Na+K"	61.952376
"258065"	732.231568	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+ACN+Na"	64.015768
"1235146"	398.123668	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+ACN+Na"	64.015768
"1713258"	398.147193	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+NH4+HCOOH"	64.039293
"1179179"	134.358518	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+3Na"	68.967654
"1650648"	403.102588	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Na+HCOOH"	68.994688
"157632"	745.13484	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+2K-H"	76.91904
"597807"	1079.24274	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+2K-H"	76.91904
"1085115"	411.02694	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2K-H"	76.91904
"141683"	373.071058	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"2M+2K"	77.926316
"585507"	540.125008	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"3M+2K"	77.926316
"1080957"	206.017108	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2K"	77.926316
"1114780"	413.041492	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2K+H"	78.933592
"1350190"	413.129107	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+DMSO+H"	79.021207
"1020786"	417.168276	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2ACN+H"	83.060376
"1537208"	418.161908	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+IsoProp+Na+H"	84.054008
"1003657"	209.087776	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+2ACN+2H"	84.067652
"1594880"	419.076528	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+K+HCOOH"	84.968628
"1427100"	449.108038	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+H+CF3COOH"	115.000138
"1157388"	229.601051	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+3ACN+2H"	125.094202
"1712286"	466.134585	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+NH4+CF3COOH"	132.026685
"1646969"	471.08998	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+Na+CF3COOH"	136.98208
"1582621"	487.06392	"C09430"	"Fagaridine"	"C20H16NO4"	"334.1079"	"M+K+CF3COOH"	152.95602
"806426"	306.1467	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M"	0
"975219"	287.12831	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"67107"	203.090524	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"512140"	305.139424	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"892495"	101.041624	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"13262"	305.139424	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"449178"	458.212774	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"826980"	152.066074	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"91346"	611.286124	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"529813"	917.432824	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"909681"	305.139424	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"60773"	628.312671	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"497174"	934.459371	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"872790"	322.165971	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"39595"	633.268066	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"480248"	939.414766	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"853677"	327.121366	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1625398"	327.121366	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"107028"	323.127763	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"537840"	476.201113	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"935000"	170.054413	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"270280"	647.262802	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"669262"	953.409502	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1282759"	341.116102	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"26409"	649.242006	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"461594"	955.388706	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"837212"	343.095306	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1559605"	343.095306	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"950768"	351.144894	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"375059"	657.291601	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"355053"	671.307251	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1496233"	365.160551	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"959763"	373.126851	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"111949"	341.116102	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"558802"	494.189452	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1029786"	188.042752	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1242801"	385.065585	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1304883"	387.121572	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1321651"	409.103529	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"912346"	419.132286	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1292709"	455.108964	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1373059"	271.134024	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1385086"	289.144	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"288056"	613.300676	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"680478"	919.447376	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1357919"	307.153976	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"130078"	307.153976	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"569276"	460.227326	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1043540"	154.080626	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"208161"	205.105076	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"653193"	307.153976	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1174603"	103.056176	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"437875"	630.327223	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"793403"	936.473923	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1689732"	324.180523	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"335823"	315.6672495	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"733713"	468.7405995	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1486440"	162.5938995	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"401840"	635.282618	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"763927"	941.429318	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1608745"	329.135918	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"320970"	318.144947	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"709017"	471.218297	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1465025"	165.071597	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1060458"	110.38349	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1264324"	339.180186	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"380709"	651.256558	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"743892"	957.403258	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1541936"	345.109858	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"300934"	326.131917	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"696636"	479.205267	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1451549"	173.058567	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"236624"	654.327226	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1210913"	348.180526	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1195038"	174.593901	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"192903"	657.26456	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"632465"	963.41126	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1133051"	351.11786	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"178169"	329.135918	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"615902"	482.209268	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1123423"	176.062568	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1410228"	117.710804	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1434689"	353.159446	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"224389"	334.16894	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1515734"	367.21149	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"415420"	337.122888	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"776417"	490.196238	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1673841"	184.049538	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"255989"	676.309168	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1234163"	370.162468	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1713085"	370.185993	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1178570"	125.038118	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1650028"	375.141388	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"157861"	689.21244	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"597152"	995.35914	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1084971"	383.06574	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"141548"	345.109858	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"583431"	498.183208	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1079974"	192.036508	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1115614"	385.080292	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1347382"	385.167907	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1018099"	389.207076	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1539021"	390.200708	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"1002674"	195.107176	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1594990"	391.115328	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1426846"	421.146838	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1157498"	215.620451	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1711424"	438.173385	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1645986"	443.12878	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1582731"	459.10272	"C09431"	"Eupaformonin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"803254"	420.1784	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M"	0
"975566"	401.16001	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-H2O-H"	-19.01839
"64416"	279.111657333333	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M-3H"	-3.021828
"511157"	419.171124	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M-3H"	-3.021828
"890053"	139.052190666667	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-3H"	-3.021828
"10818"	419.171124	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M-2H"	-2.014552
"451474"	629.260324	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M-2H"	-2.014552
"830978"	209.081924	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-2H"	-2.014552
"88175"	839.349524	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M-H"	-1.007276
"524454"	1259.527924	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M-H"	-1.007276
"906630"	419.171124	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-H"	-1.007276
"58817"	856.376071	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M-2H+NH4"	16.019271
"496191"	1276.554471	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M-2H+NH4"	16.019271
"871075"	436.197671	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-2H+NH4"	16.019271
"38976"	861.331466	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M-2H+Na"	20.974666
"474162"	1281.509866	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M-2H+Na"	20.974666
"854880"	441.153066	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-2H+Na"	20.974666
"1625508"	441.153066	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Na-2H"	20.974666
"105315"	437.159463	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M-H+Cl"	33.962126
"542688"	647.248663	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M-H+Cl"	33.962126
"932922"	227.070263	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-H+Cl"	33.962126
"270390"	875.326202	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+Cl"	34.969402
"667184"	1295.504602	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+Cl"	34.969402
"1282869"	455.147802	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Cl"	34.969402
"25426"	877.305406	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M-2H+K"	36.948606
"461704"	1297.483806	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M-2H+K"	36.948606
"837322"	457.127006	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-2H+K"	36.948606
"1559715"	457.127006	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+K-2H"	36.948606
"949785"	465.176594	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-H+HCOOH"	44.998194
"370186"	885.355001	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+HCOOH-H"	44.998201
"355163"	899.370651	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+Hac-H"	59.013851
"1496343"	479.192251	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Hac-H"	59.013851
"958820"	487.158551	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-H+NaCOOH"	66.980151
"111449"	455.147802	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+2Cl"	69.938804
"561098"	665.237002	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+2Cl"	69.938804
"1026616"	245.058602	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2Cl"	69.938804
"1244007"	499.097285	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Br"	78.918885
"1307185"	501.153272	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Cl+HCOOH"	80.974872
"1321397"	523.135229	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Cl+NaCOOH"	102.956829
"911970"	533.163986	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M-H+CF3COOH"	112.985586
"1295006"	569.140664	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Cl+CF3COOH"	148.962264
"1374262"	385.165724	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H-2H2O"	-35.012676
"1390664"	403.1757	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H-H2O"	-17.0027
"288166"	841.364076	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+H"	1.007276
"684961"	1261.542476	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+H"	1.007276
"1358029"	421.185676	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H"	1.007276
"133105"	421.185676	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+2H"	2.014552
"571572"	631.274876	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+2H"	2.014552
"1048024"	211.096476	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2H"	2.014552
"210458"	281.126209333333	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+3H"	3.021828
"653303"	421.185676	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+3H"	3.021828
"1173619"	141.066742666667	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+3H"	3.021828
"434704"	858.390623	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+NH4"	18.033823
"798615"	1278.569023	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+NH4"	18.033823
"1692029"	438.212223	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+NH4"	18.033823
"342130"	429.6989495	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+H+NH4"	19.041099
"732728"	639.7881495	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+H+NH4"	19.041099
"1487642"	219.6097495	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H+NH4"	19.041099
"401948"	863.346018	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+Na"	22.989218
"764036"	1283.524418	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+Na"	22.989218
"1609948"	443.167618	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Na"	22.989218
"318891"	432.176647	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+H+Na"	23.996494
"713500"	642.265847	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+H+Na"	23.996494
"1466229"	222.087447	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H+Na"	23.996494
"1060569"	148.394056666667	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2H+Na"	25.00377
"1269900"	453.211886	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+CH3OH+H"	33.033486
"381913"	879.319958	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+K"	38.963158
"744002"	1299.498358	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+K"	38.963158
"1542046"	459.141558	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+K"	38.963158
"304324"	440.163617	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+H+K"	39.970434
"695653"	650.252817	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+H+K"	39.970434
"1451660"	230.074417	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H+K"	39.970434
"238073"	882.390626	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+ACN+H"	42.033826
"1210007"	462.212226	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+ACN+H"	42.033826
"1194583"	231.609751	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+ACN+2H"	43.041102
"190095"	885.32796	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+2Na-H"	44.97116
"632936"	1305.50636	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+2Na-H"	44.97116
"1133282"	465.14956	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2Na-H"	44.97116
"178276"	443.167618	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+2Na"	45.978436
"617105"	653.256818	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+2Na"	45.978436
"1123533"	233.078418	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2Na"	45.978436
"1407058"	155.721370666667	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H+2Na"	46.985712
"1434799"	467.191146	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H+HCOOH"	47.012746
"228873"	448.20064	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+3H2O+2H"	56.04448
"1514020"	481.24319	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+IsoProp+H"	61.06479
"416624"	451.154588	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+Na+K"	61.952376
"776526"	661.243788	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+Na+K"	61.952376
"1673952"	241.065388	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Na+K"	61.952376
"261200"	904.372568	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+ACN+Na"	64.015768
"1236825"	484.194168	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+ACN+Na"	64.015768
"1713437"	484.217693	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+NH4+HCOOH"	64.039293
"1179112"	163.048684666667	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+3Na"	68.967654
"1650384"	489.173088	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Na+HCOOH"	68.994688
"157487"	917.27584	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+2K-H"	76.91904
"597937"	1337.45424	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+2K-H"	76.91904
"1084958"	497.09744	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2K-H"	76.91904
"141820"	459.141558	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"2M+2K"	77.926316
"583541"	669.230758	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"3M+2K"	77.926316
"1077898"	249.052358	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2K"	77.926316
"1115506"	499.111992	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2K+H"	78.933592
"1346399"	499.199607	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+DMSO+H"	79.021207
"1017115"	503.238776	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2ACN+H"	83.060376
"1538767"	504.232408	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+IsoProp+Na+H"	84.054008
"1000597"	252.123026	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+2ACN+2H"	84.067652
"1595100"	505.147028	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+K+HCOOH"	84.968628
"1426227"	535.178538	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+H+CF3COOH"	115.000138
"1156515"	272.636301	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+3ACN+2H"	125.094202
"1709347"	552.205085	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+NH4+CF3COOH"	132.026685
"1647189"	557.16048	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+Na+CF3COOH"	136.98208
"1582841"	573.13442	"C09432"	"Eupaformosanin"	"C22H28O8"	"420.1784"	"M+K+CF3COOH"	152.95602
"806643"	378.1679	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M"	0
"974826"	359.14951	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-H2O-H"	-19.01839
"63432"	251.104657333333	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M-3H"	-3.021828
"513453"	377.160624	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M-3H"	-3.021828
"894172"	125.048690666667	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-3H"	-3.021828
"13113"	377.160624	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M-2H"	-2.014552
"455312"	566.244574	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M-2H"	-2.014552
"830116"	188.076674	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-2H"	-2.014552
"91566"	755.328524	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M-H"	-1.007276
"524563"	1133.496424	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M-H"	-1.007276
"907834"	377.160624	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-H"	-1.007276
"60020"	772.355071	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M-2H+NH4"	16.019271
"500309"	1150.522971	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M-2H+NH4"	16.019271
"871914"	394.187171	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-2H+NH4"	16.019271
"39815"	777.310466	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M-2H+Na"	20.974666
"477552"	1155.478366	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M-2H+Na"	20.974666
"858269"	399.142566	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-2H+Na"	20.974666
"1619785"	399.142566	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Na-2H"	20.974666
"102143"	395.148963	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M-H+Cl"	33.962126
"542798"	584.232913	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M-H+Cl"	33.962126
"933032"	206.065013	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-H+Cl"	33.962126
"270500"	791.305202	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+Cl"	34.969402
"669481"	1169.473102	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+Cl"	34.969402
"1274595"	413.137302	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Cl"	34.969402
"24442"	793.284406	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M-2H+K"	36.948606
"461814"	1171.452306	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M-2H+K"	36.948606
"842898"	415.116506	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-2H+K"	36.948606
"1559825"	415.116506	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+K-2H"	36.948606
"955362"	423.166094	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-H+HCOOH"	44.998194
"368110"	801.334001	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+HCOOH-H"	44.998201
"349806"	815.349651	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+Hac-H"	59.013851
"1501920"	437.181751	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Hac-H"	59.013851
"960714"	445.148051	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-H+NaCOOH"	66.980151
"111807"	413.137302	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+2Cl"	69.938804
"560115"	602.221252	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+2Cl"	69.938804
"1030007"	224.053352	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2Cl"	69.938804
"1246306"	457.086785	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Br"	78.918885
"1304418"	459.142772	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Cl+HCOOH"	80.974872
"1320288"	481.124729	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Cl+NaCOOH"	102.956829
"911411"	491.153486	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M-H+CF3COOH"	112.985586
"1295116"	527.130164	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Cl+CF3COOH"	148.962264
"1377652"	343.155224	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H-2H2O"	-35.012676
"1389681"	361.1652	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H-H2O"	-17.0027
"291556"	757.343076	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+H"	1.007276
"685071"	1135.510976	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+H"	1.007276
"1364699"	379.175176	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H"	1.007276
"138682"	379.175176	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+2H"	2.014552
"572776"	568.259126	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+2H"	2.014552
"1049227"	190.091226	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2H"	2.014552
"210568"	253.119209333333	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+3H"	3.021828
"655600"	379.175176	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+3H"	3.021828
"1176526"	127.063242666667	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+3H"	3.021828
"438948"	774.369623	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+NH4"	18.033823
"799455"	1152.537523	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+NH4"	18.033823
"1691775"	396.201723	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+NH4"	18.033823
"339322"	387.6884495	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+H+NH4"	19.041099
"732838"	576.7723995	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+H+NH4"	19.041099
"1486659"	198.6044995	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H+NH4"	19.041099
"400965"	779.325018	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+Na"	22.989218
"763053"	1157.492918	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+Na"	22.989218
"1611152"	401.157118	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Na"	22.989218
"320094"	390.166147	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+H+Na"	23.996494
"713610"	579.250097	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+H+Na"	23.996494
"1470713"	201.082197	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H+Na"	23.996494
"1061772"	134.390556666667	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2H+Na"	25.00377
"1269646"	411.201386	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+CH3OH+H"	33.033486
"383116"	795.298958	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+K"	38.963158
"744111"	1173.466858	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+K"	38.963158
"1541789"	417.131058	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+K"	38.963158
"301152"	398.153117	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+H+K"	39.970434
"691750"	587.237067	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+H+K"	39.970434
"1451770"	209.069167	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H+K"	39.970434
"236239"	798.369626	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+ACN+H"	42.033826
"1210359"	420.201726	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+ACN+H"	42.033826
"1194408"	210.604501	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+ACN+2H"	43.041102
"191298"	801.30696	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+2Na-H"	44.97116
"632681"	1179.47486	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+2Na-H"	44.97116
"1132296"	423.13906	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2Na-H"	44.97116
"178751"	401.157118	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+2Na"	45.978436
"616849"	590.241068	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+2Na"	45.978436
"1120727"	212.073168	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2Na"	45.978436
"1407168"	141.717870666667	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H+2Na"	46.985712
"1433813"	425.180646	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H+HCOOH"	47.012746
"231169"	406.19014	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+3H2O+2H"	56.04448
"1513764"	439.23269	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+IsoProp+H"	61.06479
"416732"	409.144088	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+Na+K"	61.952376
"777729"	598.228038	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+Na+K"	61.952376
"1676247"	220.060138	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Na+K"	61.952376
"261673"	820.351568	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+ACN+Na"	64.015768
"1237663"	442.183668	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+ACN+Na"	64.015768
"1713670"	442.207193	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+NH4+HCOOH"	64.039293
"1179382"	149.045184666667	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+3Na"	68.967654
"1650129"	447.162588	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Na+HCOOH"	68.994688
"158205"	833.25484	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+2K-H"	76.91904
"597887"	1211.42274	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+2K-H"	76.91904
"1084625"	455.08694	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2K-H"	76.91904
"142498"	417.131058	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"2M+2K"	77.926316
"585107"	606.215008	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"3M+2K"	77.926316
"1078008"	228.047108	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2K"	77.926316
"1114750"	457.101492	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2K+H"	78.933592
"1345416"	457.189107	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+DMSO+H"	79.021207
"1016132"	461.228276	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2ACN+H"	83.060376
"1537904"	462.221908	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+IsoProp+Na+H"	84.054008
"1000707"	231.117776	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+2ACN+2H"	84.067652
"1595210"	463.136528	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+K+HCOOH"	84.968628
"1426337"	493.168038	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+H+CF3COOH"	115.000138
"1157718"	251.631051	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+3ACN+2H"	125.094202
"1709457"	510.194585	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+NH4+CF3COOH"	132.026685
"1647299"	515.14998	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+Na+CF3COOH"	136.98208
"1582951"	531.12392	"C09433"	"Eupahyssopin"	"C20H26O7"	"378.1679"	"M+K+CF3COOH"	152.95602
"803474"	376.1522	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M"	0
"978099"	357.13381	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-H2O-H"	-19.01839
"62988"	249.760857333333	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M-3H"	-3.021828
"518518"	375.144924	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M-3H"	-3.021828
"895017"	124.376790666667	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-3H"	-3.021828
"15607"	375.144924	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M-2H"	-2.014552
"455299"	563.221024	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M-2H"	-2.014552
"832658"	187.068824	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-2H"	-2.014552
"91675"	751.297124	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M-H"	-1.007276
"527954"	1127.449324	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M-H"	-1.007276
"909035"	375.144924	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-H"	-1.007276
"62076"	768.323671	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M-2H+NH4"	16.019271
"494223"	1144.475871	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M-2H+NH4"	16.019271
"875305"	392.171471	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-2H+NH4"	16.019271
"35915"	773.279066	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M-2H+Na"	20.974666
"478391"	1149.431266	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M-2H+Na"	20.974666
"858379"	397.126866	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-2H+Na"	20.974666
"1620259"	397.126866	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Na-2H"	20.974666
"101161"	393.133263	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M-H+Cl"	33.962126
"538534"	581.209363	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M-H+Cl"	33.962126
"929862"	205.057163	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-H+Cl"	33.962126
"273890"	787.273802	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+Cl"	34.969402
"669591"	1163.426002	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+Cl"	34.969402
"1286005"	411.121602	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Cl"	34.969402
"27832"	789.253006	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M-2H+K"	36.948606
"461924"	1165.405206	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M-2H+K"	36.948606
"845195"	413.100806	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-2H+K"	36.948606
"1559935"	413.100806	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+K-2H"	36.948606
"956565"	421.150394	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-H+HCOOH"	44.998194
"375510"	797.302601	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+HCOOH-H"	44.998201
"353197"	811.318251	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+Hac-H"	59.013851
"1502029"	435.166051	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Hac-H"	59.013851
"964104"	443.132351	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-H+NaCOOH"	66.980151
"113012"	411.121602	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+2Cl"	69.938804
"560226"	599.197702	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+2Cl"	69.938804
"1032304"	223.045502	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2Cl"	69.938804
"1243499"	455.071085	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Br"	78.918885
"1305582"	457.127072	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Cl+HCOOH"	80.974872
"1323083"	479.109029	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Cl+NaCOOH"	102.956829
"912316"	489.137786	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M-H+CF3COOH"	112.985586
"1294135"	525.114464	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Cl+CF3COOH"	148.962264
"1376671"	341.139524	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H-2H2O"	-35.012676
"1390886"	359.1495	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H-H2O"	-17.0027
"296409"	753.311676	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+H"	1.007276
"689193"	1129.463876	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+H"	1.007276
"1363716"	377.159476	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H"	1.007276
"136607"	377.159476	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+2H"	2.014552
"575073"	565.235576	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+2H"	2.014552
"1043870"	189.083376	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2H"	2.014552
"212868"	251.775409333333	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+3H"	3.021828
"653523"	377.159476	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+3H"	3.021828
"1171651"	126.391342666667	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+3H"	3.021828
"438569"	770.338223	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+NH4"	18.033823
"798111"	1146.490423	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+NH4"	18.033823
"1694804"	394.186023	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+NH4"	18.033823
"342714"	385.6727495	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+H+NH4"	19.041099
"730761"	573.7488495	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+H+NH4"	19.041099
"1485676"	197.5966495	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H+NH4"	19.041099
"404357"	775.293618	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+Na"	22.989218
"766445"	1151.445818	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+Na"	22.989218
"1610169"	399.141418	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Na"	22.989218
"318019"	388.150447	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+H+Na"	23.996494
"712627"	576.226547	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+H+Na"	23.996494
"1468639"	200.074347	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H+Na"	23.996494
"1062975"	133.718656666667	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2H+Na"	25.00377
"1267932"	409.185686	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+CH3OH+H"	33.033486
"382133"	791.267558	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+K"	38.963158
"739481"	1167.419758	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+K"	38.963158
"1541168"	415.115358	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+K"	38.963158
"301261"	396.137417	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+H+K"	39.970434
"693684"	584.213517	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+H+K"	39.970434
"1445843"	208.061317	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H+K"	39.970434
"236229"	794.338226	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+ACN+H"	42.033826
"1212095"	418.186026	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+ACN+H"	42.033826
"1194192"	209.596651	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+ACN+2H"	43.041102
"192137"	797.27556	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+2Na-H"	44.97116
"629511"	1173.42776	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+2Na-H"	44.97116
"1135572"	421.12336	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2Na-H"	44.97116
"179593"	399.141418	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+2Na"	45.978436
"618060"	587.217518	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+2Na"	45.978436
"1124847"	211.065318	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2Na"	45.978436
"1407279"	141.045970666667	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H+2Na"	46.985712
"1435018"	423.164946	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H+HCOOH"	47.012746
"231279"	404.17444	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+3H2O+2H"	56.04448
"1517155"	437.21699	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+IsoProp+H"	61.06479
"415748"	407.128388	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+Na+K"	61.952376
"780026"	595.204488	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+Na+K"	61.952376
"1678544"	219.052288	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Na+K"	61.952376
"264703"	816.320168	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+ACN+Na"	64.015768
"1238141"	440.167968	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+ACN+Na"	64.015768
"1713293"	440.191493	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+NH4+HCOOH"	64.039293
"1180354"	148.373284666667	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+3Na"	68.967654
"1653166"	445.146888	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Na+HCOOH"	68.994688
"157955"	829.22344	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+2K-H"	76.91904
"602868"	1205.37564	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+2K-H"	76.91904
"1084461"	453.07124	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2K-H"	76.91904
"141638"	415.115358	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"2M+2K"	77.926316
"584853"	603.191458	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"3M+2K"	77.926316
"1080304"	227.039258	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2K"	77.926316
"1114981"	455.085792	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2K+H"	78.933592
"1351002"	455.173407	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+DMSO+H"	79.021207
"1016972"	459.212576	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2ACN+H"	83.060376
"1534369"	460.206208	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+IsoProp+Na+H"	84.054008
"997537"	230.109926	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+2ACN+2H"	84.067652
"1598601"	461.120828	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+K+HCOOH"	84.968628
"1426447"	491.152338	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+H+CF3COOH"	115.000138
"1161476"	250.623201	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+3ACN+2H"	125.094202
"1709567"	508.178885	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+NH4+CF3COOH"	132.026685
"1647042"	513.13428	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+Na+CF3COOH"	136.98208
"1583061"	529.10822	"C09434"	"Euparotin"	"C20H24O7"	"376.1522"	"M+K+CF3COOH"	152.95602
"803584"	418.1628	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M"	0
"977115"	399.14441	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-H2O-H"	-19.01839
"63290"	277.767924	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M-3H"	-3.021828
"518217"	417.155524	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M-3H"	-3.021828
"893662"	138.380324	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-3H"	-3.021828
"14429"	417.155524	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M-2H"	-2.014552
"454351"	626.236924	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M-2H"	-2.014552
"830334"	208.074124	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-2H"	-2.014552
"87411"	835.318324	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M-H"	-1.007276
"528065"	1253.481124	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M-H"	-1.007276
"907689"	417.155524	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-H"	-1.007276
"59146"	852.344871	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M-2H+NH4"	16.019271
"494333"	1270.507671	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M-2H+NH4"	16.019271
"875051"	434.182071	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-2H+NH4"	16.019271
"33472"	857.300266	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M-2H+Na"	20.974666
"476313"	1275.463066	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M-2H+Na"	20.974666
"856302"	439.137466	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-2H+Na"	20.974666
"1620004"	439.137466	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Na-2H"	20.974666
"103458"	435.143863	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M-H+Cl"	33.962126
"535727"	644.225263	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M-H+Cl"	33.962126
"930335"	226.062463	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-H+Cl"	33.962126
"274000"	871.295002	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+Cl"	34.969402
"670794"	1289.457802	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+Cl"	34.969402
"1286479"	453.132202	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Cl"	34.969402
"27942"	873.274206	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M-2H+K"	36.948606
"462034"	1291.437006	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M-2H+K"	36.948606
"843119"	455.111406	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-2H+K"	36.948606
"1563325"	455.111406	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+K-2H"	36.948606
"955582"	463.160994	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-H+HCOOH"	44.998194
"370517"	881.323801	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+HCOOH-H"	44.998201
"347840"	895.339451	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+Hac-H"	59.013851
"1498859"	477.176651	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Hac-H"	59.013851
"964214"	485.142951	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-H+NaCOOH"	66.980151
"111420"	453.132202	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+2Cl"	69.938804
"554869"	662.213602	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+2Cl"	69.938804
"1029134"	244.050802	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2Cl"	69.938804
"1242879"	497.081685	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Br"	78.918885
"1304308"	499.137672	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Cl+HCOOH"	80.974872
"1323193"	521.119629	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Cl+NaCOOH"	102.956829
"912790"	531.148386	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M-H+CF3COOH"	112.985586
"1295337"	567.125064	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Cl+CF3COOH"	148.962264
"1371313"	383.150124	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H-2H2O"	-35.012676
"1387714"	401.1601	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H-H2O"	-17.0027
"296882"	837.332876	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+H"	1.007276
"688572"	1255.495676	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+H"	1.007276
"1360546"	419.170076	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H"	1.007276
"136717"	419.170076	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+2H"	2.014552
"574090"	628.251476	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+2H"	2.014552
"1046167"	210.088676	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2H"	2.014552
"212978"	279.782476	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+3H"	3.021828
"652540"	419.170076	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+3H"	3.021828
"1170668"	140.394876	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+3H"	3.021828
"437586"	854.359423	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+NH4"	18.033823
"798583"	1272.522223	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+NH4"	18.033823
"1695886"	436.196623	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+NH4"	18.033823
"341730"	427.6833495	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+H+NH4"	19.041099
"729776"	636.7647495	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+H+NH4"	19.041099
"1483598"	218.6019495	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H+NH4"	19.041099
"403374"	859.314818	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+Na"	22.989218
"765462"	1277.477618	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+Na"	22.989218
"1608093"	441.152018	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Na"	22.989218
"318129"	430.161047	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+H+Na"	23.996494
"712737"	639.242447	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+H+Na"	23.996494
"1468747"	221.079647	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H+Na"	23.996494
"1063086"	147.72219	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2H+Na"	25.00377
"1266950"	451.196286	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+CH3OH+H"	33.033486
"380056"	875.288758	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+K"	38.963158
"742143"	1293.451558	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+K"	38.963158
"1547478"	457.125958	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+K"	38.963158
"301371"	438.148017	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+H+K"	39.970434
"697074"	647.229417	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+H+K"	39.970434
"1446157"	229.066617	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H+K"	39.970434
"235782"	878.359426	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+ACN+H"	42.033826
"1214391"	460.196626	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+ACN+H"	42.033826
"1194385"	230.601951	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+ACN+2H"	43.041102
"189452"	881.29676	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+2Na-H"	44.97116
"629621"	1299.45956	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+2Na-H"	44.97116
"1134953"	463.13396	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2Na-H"	44.97116
"178610"	441.152018	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+2Na"	45.978436
"619264"	650.233418	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+2Na"	45.978436
"1123864"	232.070618	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2Na"	45.978436
"1404108"	155.049504	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H+2Na"	46.985712
"1431480"	465.175546	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H+HCOOH"	47.012746
"225193"	446.18504	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+3H2O+2H"	56.04448
"1512162"	479.22759	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+IsoProp+H"	61.06479
"410754"	449.138988	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+Na+K"	61.952376
"777949"	658.220388	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+Na+K"	61.952376
"1673915"	240.057588	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Na+K"	61.952376
"262989"	900.341368	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+ACN+Na"	64.015768
"1235698"	482.178568	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+ACN+Na"	64.015768
"1712835"	482.202093	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+NH4+HCOOH"	64.039293
"1181556"	162.376818	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+3Na"	68.967654
"1654369"	487.157488	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Na+HCOOH"	68.994688
"157701"	913.24464	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+2K-H"	76.91904
"602978"	1331.40744	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+2K-H"	76.91904
"1084531"	495.08184	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2K-H"	76.91904
"141580"	457.125958	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"2M+2K"	77.926316
"581454"	666.207358	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"3M+2K"	77.926316
"1082236"	248.044558	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2K"	77.926316
"1114719"	497.096392	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2K+H"	78.933592
"1350988"	497.184007	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+DMSO+H"	79.021207
"1017446"	501.223176	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2ACN+H"	83.060376
"1536666"	502.216808	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+IsoProp+Na+H"	84.054008
"998740"	251.115226	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+2ACN+2H"	84.067652
"1596524"	503.131428	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+K+HCOOH"	84.968628
"1427650"	533.162938	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+H+CF3COOH"	115.000138
"1161949"	271.628501	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+3ACN+2H"	125.094202
"1707490"	550.189485	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+NH4+CF3COOH"	132.026685
"1647152"	555.14488	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+Na+CF3COOH"	136.98208
"1583171"	571.11882	"C09435"	"Euparotin acetate"	"C22H26O8"	"418.1628"	"M+K+CF3COOH"	152.95602
"803694"	404.1835	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M"	0
"981599"	385.16511	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-H2O-H"	-19.01839
"69842"	268.448390666667	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M-3H"	-3.021828
"517795"	403.176224	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M-3H"	-3.021828
"893773"	133.720557333333	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-3H"	-3.021828
"12350"	403.176224	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M-2H"	-2.014552
"453372"	605.267974	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M-2H"	-2.014552
"831174"	201.084474	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-2H"	-2.014552
"93968"	807.359724	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M-H"	-1.007276
"533159"	1211.543224	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M-H"	-1.007276
"908166"	403.176224	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-H"	-1.007276
"62259"	824.386271	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M-2H+NH4"	16.019271
"500521"	1228.569771	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M-2H+NH4"	16.019271
"876256"	420.202771	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-2H+NH4"	16.019271
"40145"	829.341666	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M-2H+Na"	20.974666
"481530"	1233.525166	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M-2H+Na"	20.974666
"858239"	425.158166	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-2H+Na"	20.974666
"1623031"	425.158166	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Na-2H"	20.974666
"104663"	421.164563	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M-H+Cl"	33.962126
"544224"	623.256313	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M-H+Cl"	33.962126
"937738"	219.072813	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-H+Cl"	33.962126
"280430"	843.336402	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+Cl"	34.969402
"672729"	1247.519902	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+Cl"	34.969402
"1285496"	439.152902	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Cl"	34.969402
"28053"	845.315606	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M-2H+K"	36.948606
"465427"	1249.499106	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M-2H+K"	36.948606
"846511"	441.132106	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-2H+K"	36.948606
"1564530"	441.132106	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+K-2H"	36.948606
"954600"	449.181694	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-H+HCOOH"	44.998194
"369535"	853.365201	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+HCOOH-H"	44.998201
"357791"	867.380851	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+Hac-H"	59.013851
"1502249"	463.197351	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Hac-H"	59.013851
"968698"	471.163651	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-H+NaCOOH"	66.980151
"117605"	439.152902	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+2Cl"	69.938804
"558260"	641.244652	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+2Cl"	69.938804
"1036506"	237.061152	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2Cl"	69.938804
"1249917"	483.102385	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Br"	78.918885
"1309086"	485.158372	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Cl+HCOOH"	80.974872
"1325490"	507.140329	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Cl+NaCOOH"	102.956829
"915454"	517.169086	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M-H+CF3COOH"	112.985586
"1298727"	553.145764	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Cl+CF3COOH"	148.962264
"1377984"	369.170824	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H-2H2O"	-35.012676
"1391105"	387.1808	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H-H2O"	-17.0027
"297964"	809.374276	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+H"	1.007276
"688682"	1213.557776	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+H"	1.007276
"1361750"	405.190776	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H"	1.007276
"136828"	405.190776	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+2H"	2.014552
"576387"	607.282526	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+2H"	2.014552
"1048466"	203.099026	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2H"	2.014552
"216368"	270.462942666667	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+3H"	3.021828
"657996"	405.190776	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+3H"	3.021828
"1177224"	135.735109333333	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+3H"	3.021828
"438919"	826.400823	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+NH4"	18.033823
"799668"	1230.584323	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+NH4"	18.033823
"1695998"	422.217323	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+NH4"	18.033823
"344029"	413.7040495	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+H+NH4"	19.041099
"734264"	615.7957995	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+H+NH4"	19.041099
"1489178"	211.6122995	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H+NH4"	19.041099
"405307"	831.356218	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+Na"	22.989218
"764479"	1235.539718	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+Na"	22.989218
"1615861"	427.172718	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Na"	22.989218
"328695"	416.181747	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+H+Na"	23.996494
"721602"	618.273497	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+H+Na"	23.996494
"1471046"	214.089997	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H+Na"	23.996494
"1064290"	143.062423333333	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2H+Na"	25.00377
"1270342"	437.216986	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+CH3OH+H"	33.033486
"388915"	847.330158	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+K"	38.963158
"741160"	1251.513658	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+K"	38.963158
"1543213"	443.146658	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+K"	38.963158
"301849"	424.168717	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+H+K"	39.970434
"692816"	626.260467	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+H+K"	39.970434
"1446269"	222.076967	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H+K"	39.970434
"237423"	850.400826	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+ACN+H"	42.033826
"1210126"	446.217326	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+ACN+H"	42.033826
"1194195"	223.612301	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+ACN+2H"	43.041102
"190173"	853.33816	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+2Na-H"	44.97116
"633743"	1257.52166	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+2Na-H"	44.97116
"1135429"	449.15466	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2Na-H"	44.97116
"180908"	427.172718	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+2Na"	45.978436
"620469"	629.264468	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+2Na"	45.978436
"1122881"	225.080968	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2Na"	45.978436
"1403488"	150.389737333333	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H+2Na"	46.985712
"1436336"	451.196246	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H+HCOOH"	47.012746
"229316"	432.20574	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+3H2O+2H"	56.04448
"1518471"	465.24829	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+IsoProp+H"	61.06479
"417064"	435.159688	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+Na+K"	61.952376
"780247"	637.251438	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+Na+K"	61.952376
"1678040"	233.067938	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Na+K"	61.952376
"265285"	872.382768	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+ACN+Na"	64.015768
"1237994"	468.199268	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+ACN+Na"	64.015768
"1719232"	468.222793	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+NH4+HCOOH"	64.039293
"1187868"	157.717051333333	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+3Na"	68.967654
"1657761"	473.178188	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Na+HCOOH"	68.994688
"162434"	885.28604	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+2K-H"	76.91904
"609651"	1289.46954	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+2K-H"	76.91904
"1096351"	481.10254	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2K-H"	76.91904
"146606"	443.146658	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"2M+2K"	77.926316
"592732"	645.238408	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"3M+2K"	77.926316
"1083810"	241.054908	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2K"	77.926316
"1114834"	483.117092	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2K+H"	78.933592
"1350735"	483.204707	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+DMSO+H"	79.021207
"1017556"	487.243876	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2ACN+H"	83.060376
"1535682"	488.237508	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+IsoProp+Na+H"	84.054008
"998849"	244.125576	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+2ACN+2H"	84.067652
"1594446"	489.152128	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+K+HCOOH"	84.968628
"1425573"	519.183638	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+H+CF3COOH"	115.000138
"1153673"	264.638851	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+3ACN+2H"	125.094202
"1698851"	536.210185	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+NH4+CF3COOH"	132.026685
"1642156"	541.16558	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+Na+CF3COOH"	136.98208
"1583281"	557.13952	"C09436"	"Eupaserrin"	"C22H28O7"	"404.1835"	"M+K+CF3COOH"	152.95602
"807086"	404.1835	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M"	0
"980619"	385.16511	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-H2O-H"	-19.01839
"66675"	268.448390666667	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M-3H"	-3.021828
"517176"	403.176224	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M-3H"	-3.021828
"893883"	133.720557333333	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-3H"	-3.021828
"14282"	403.176224	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M-2H"	-2.014552
"454940"	605.267974	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M-2H"	-2.014552
"831650"	201.084474	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-2H"	-2.014552
"92254"	807.359724	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M-H"	-1.007276
"532301"	1211.543224	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M-H"	-1.007276
"907912"	403.176224	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-H"	-1.007276
"61076"	824.386271	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M-2H+NH4"	16.019271
"500752"	1228.569771	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M-2H+NH4"	16.019271
"876367"	420.202771	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-2H+NH4"	16.019271
"43537"	829.341666	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M-2H+Na"	20.974666
"480911"	1233.525166	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M-2H+Na"	20.974666
"858714"	425.158166	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-2H+Na"	20.974666
"1629340"	425.158166	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Na-2H"	20.974666
"99308"	421.164563	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M-H+Cl"	33.962126
"547250"	623.256313	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M-H+Cl"	33.962126
"938941"	219.072813	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-H+Cl"	33.962126
"279691"	843.336402	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+Cl"	34.969402
"671383"	1247.519902	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+Cl"	34.969402
"1284152"	439.152902	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Cl"	34.969402
"29626"	845.315606	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M-2H+K"	36.948606
"466631"	1249.499106	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M-2H+K"	36.948606
"846258"	441.132106	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-2H+K"	36.948606
"1569016"	441.132106	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+K-2H"	36.948606
"952524"	449.181694	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-H+HCOOH"	44.998194
"369646"	853.365201	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+HCOOH-H"	44.998201
"355715"	867.380851	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+Hac-H"	59.013851
"1504548"	463.197351	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Hac-H"	59.013851
"964435"	471.163651	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-H+NaCOOH"	66.980151
"115532"	439.152902	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+2Cl"	69.938804
"557278"	641.244652	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+2Cl"	69.938804
"1030450"	237.061152	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2Cl"	69.938804
"1243102"	483.102385	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Br"	78.918885
"1304579"	485.158372	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Cl+HCOOH"	80.974872
"1321349"	507.140329	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Cl+NaCOOH"	102.956829
"914475"	517.169086	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M-H+CF3COOH"	112.985586
"1295557"	553.145764	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Cl+CF3COOH"	148.962264
"1378094"	369.170824	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H-2H2O"	-35.012676
"1395592"	387.1808	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H-H2O"	-17.0027
"297102"	809.374276	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+H"	1.007276
"682232"	1213.557776	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+H"	1.007276
"1360767"	405.190776	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H"	1.007276
"131469"	405.190776	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+2H"	2.014552
"571028"	607.282526	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+2H"	2.014552
"1045296"	203.099026	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2H"	2.014552
"218670"	270.462942666667	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+3H"	3.021828
"659819"	405.190776	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+3H"	3.021828
"1174171"	135.735109333333	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+3H"	3.021828
"438901"	826.400823	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+NH4"	18.033823
"799167"	1230.584323	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+NH4"	18.033823
"1696472"	422.217323	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+NH4"	18.033823
"344139"	413.7040495	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+H+NH4"	19.041099
"734374"	615.7957995	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+H+NH4"	19.041099
"1488195"	211.6122995	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H+NH4"	19.041099
"405781"	831.356218	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+Na"	22.989218
"763496"	1235.539718	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+Na"	22.989218
"1616335"	427.172718	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Na"	22.989218
"329046"	416.181747	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+H+Na"	23.996494
"721834"	618.273497	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+H+Na"	23.996494
"1474437"	214.089997	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H+Na"	23.996494
"1066587"	143.062423333333	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2H+Na"	25.00377
"1267172"	437.216986	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+CH3OH+H"	33.033486
"384651"	847.330158	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+K"	38.963158
"744554"	1251.513658	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+K"	38.963158
"1545510"	443.146658	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+K"	38.963158
"304876"	424.168717	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+H+K"	39.970434
"697297"	626.260467	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+H+K"	39.970434
"1448930"	222.076967	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H+K"	39.970434
"236114"	850.400826	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+ACN+H"	42.033826
"1211335"	446.217326	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+ACN+H"	42.033826
"1195951"	223.612301	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+ACN+2H"	43.041102
"190646"	853.33816	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+2Na-H"	44.97116
"636408"	1257.52166	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+2Na-H"	44.97116
"1135175"	449.15466	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2Na-H"	44.97116
"178832"	427.172718	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+2Na"	45.978436
"623859"	629.264468	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+2Na"	45.978436
"1129431"	225.080968	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2Na"	45.978436
"1405787"	150.389737333333	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H+2Na"	46.985712
"1436810"	451.196246	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H+HCOOH"	47.012746
"226144"	432.20574	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+3H2O+2H"	56.04448
"1516392"	465.24829	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+IsoProp+H"	61.06479
"414988"	435.159688	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+Na+K"	61.952376
"780357"	637.251438	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+Na+K"	61.952376
"1679243"	233.067938	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Na+K"	61.952376
"264667"	872.382768	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+ACN+Na"	64.015768
"1231543"	468.199268	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+ACN+Na"	64.015768
"1719337"	468.222793	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+NH4+HCOOH"	64.039293
"1178898"	157.717051333333	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+3Na"	68.967654
"1650329"	473.178188	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Na+HCOOH"	68.994688
"157556"	885.28604	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+2K-H"	76.91904
"607575"	1289.46954	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+2K-H"	76.91904
"1096461"	481.10254	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2K-H"	76.91904
"145623"	443.146658	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"2M+2K"	77.926316
"593935"	645.238408	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"3M+2K"	77.926316
"1081727"	241.054908	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2K"	77.926316
"1115189"	483.117092	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2K+H"	78.933592
"1351092"	483.204707	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+DMSO+H"	79.021207
"1018761"	487.243876	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2ACN+H"	83.060376
"1536886"	488.237508	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+IsoProp+Na+H"	84.054008
"998960"	244.125576	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+2ACN+2H"	84.067652
"1597837"	489.152128	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+K+HCOOH"	84.968628
"1427870"	519.183638	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+H+CF3COOH"	115.000138
"1159253"	264.638851	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+3ACN+2H"	125.094202
"1706617"	536.210185	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+NH4+CF3COOH"	132.026685
"1647736"	541.16558	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+Na+CF3COOH"	136.98208
"1583391"	557.13952	"C09437"	"Eupatocunin"	"C22H28O7"	"404.1835"	"M+K+CF3COOH"	152.95602
"805007"	350.1392	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M"	0
"976351"	331.12081	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-H2O-H"	-19.01839
"63136"	232.418857333333	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M-3H"	-3.021828
"518414"	349.131924	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M-3H"	-3.021828
"895332"	115.705790666667	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-3H"	-3.021828
"15663"	349.131924	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M-2H"	-2.014552
"455623"	524.201524	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M-2H"	-2.014552
"832411"	174.062324	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-2H"	-2.014552
"93090"	699.271124	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M-H"	-1.007276
"532410"	1049.410324	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M-H"	-1.007276
"908386"	349.131924	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-H"	-1.007276
"61913"	716.297671	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M-2H+NH4"	16.019271
"501834"	1066.436871	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M-2H+NH4"	16.019271
"877579"	366.158471	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-2H+NH4"	16.019271
"45833"	721.253066	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M-2H+Na"	20.974666
"477741"	1071.392266	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M-2H+Na"	20.974666
"857731"	371.113866	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-2H+Na"	20.974666
"1627262"	371.113866	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Na-2H"	20.974666
"101605"	367.120263	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M-H+Cl"	33.962126
"544444"	542.189863	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M-H+Cl"	33.962126
"940874"	192.050663	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-H+Cl"	33.962126
"280531"	735.247802	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+Cl"	34.969402
"672950"	1085.387002	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+Cl"	34.969402
"1284990"	385.108602	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Cl"	34.969402
"30464"	737.227006	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M-2H+K"	36.948606
"469293"	1087.366206	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M-2H+K"	36.948606
"847462"	387.087806	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-2H+K"	36.948606
"1570220"	387.087806	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+K-2H"	36.948606
"951541"	395.137394	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-H+HCOOH"	44.998194
"374130"	745.276601	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+HCOOH-H"	44.998201
"360199"	759.292251	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+Hac-H"	59.013851
"1508184"	409.153051	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Hac-H"	59.013851
"965639"	417.119351	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-H+NaCOOH"	66.980151
"117829"	385.108602	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+2Cl"	69.938804
"557388"	560.178202	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+2Cl"	69.938804
"1033840"	210.039002	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2Cl"	69.938804
"1245764"	429.058085	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Br"	78.918885
"1306391"	431.114072	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Cl+HCOOH"	80.974872
"1321339"	453.096029	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Cl+NaCOOH"	102.956829
"917865"	463.124786	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M-H+CF3COOH"	112.985586
"1295667"	499.101464	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Cl+CF3COOH"	148.962264
"1382337"	315.126524	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H-2H2O"	-35.012676
"1396431"	333.1365	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H-H2O"	-17.0027
"298152"	701.285676	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+H"	1.007276
"689999"	1051.424876	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+H"	1.007276
"1365251"	351.146476	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H"	1.007276
"137049"	351.146476	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+2H"	2.014552
"579889"	526.216076	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+2H"	2.014552
"1045406"	176.076876	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2H"	2.014552
"214404"	234.433409333333	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+3H"	3.021828
"658591"	351.146476	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+3H"	3.021828
"1177198"	117.720342666667	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+3H"	3.021828
"439135"	718.312223	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+NH4"	18.033823
"800372"	1068.451423	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+NH4"	18.033823
"1696913"	368.173023	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+NH4"	18.033823
"343159"	359.6597495	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+H+NH4"	19.041099
"734850"	534.7293495	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+H+NH4"	19.041099
"1490131"	184.5901495	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H+NH4"	19.041099
"405528"	723.267618	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+Na"	22.989218
"763606"	1073.406818	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+Na"	22.989218
"1615715"	373.128418	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Na"	22.989218
"326846"	362.137447	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+H+Na"	23.996494
"719266"	537.207047	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+H+Na"	23.996494
"1474185"	187.067847	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H+Na"	23.996494
"1065969"	125.047656666667	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2H+Na"	25.00377
"1268375"	383.172686	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+CH3OH+H"	33.033486
"382575"	739.241558	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+K"	38.963158
"742475"	1089.380758	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+K"	38.963158
"1543433"	389.102358	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+K"	38.963158
"303161"	370.124417	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+H+K"	39.970434
"696313"	545.194017	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+H+K"	39.970434
"1446368"	195.054817	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H+K"	39.970434
"237038"	742.312226	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+ACN+H"	42.033826
"1210226"	392.173026	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+ACN+H"	42.033826
"1199707"	196.590151	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+ACN+2H"	43.041102
"189659"	745.24956	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+2Na-H"	44.97116
"632508"	1095.38876	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+2Na-H"	44.97116
"1135287"	395.11036	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2Na-H"	44.97116
"182222"	373.128418	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+2Na"	45.978436
"626157"	548.198018	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+2Na"	45.978436
"1123101"	198.058818	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2Na"	45.978436
"1411000"	132.374970666667	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H+2Na"	46.985712
"1438740"	397.151946	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H+HCOOH"	47.012746
"228439"	378.16144	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+3H2O+2H"	56.04448
"1523062"	411.20399	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+IsoProp+H"	61.06479
"417282"	381.115388	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+Na+K"	61.952376
"782654"	556.184988	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+Na+K"	61.952376
"1680327"	206.045788	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Na+K"	61.952376
"266235"	764.294168	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+ACN+Na"	64.015768
"1233840"	414.154968	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+ACN+Na"	64.015768
"1723822"	414.178493	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+NH4+HCOOH"	64.039293
"1180060"	139.702284666667	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+3Na"	68.967654
"1652140"	419.133888	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Na+HCOOH"	68.994688
"158880"	777.19744	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+2K-H"	76.91904
"608778"	1127.33664	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+2K-H"	76.91904
"1093289"	427.05824	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2K-H"	76.91904
"146826"	389.102358	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"2M+2K"	77.926316
"596598"	564.171958	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"3M+2K"	77.926316
"1081473"	214.032758	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2K"	77.926316
"1115502"	429.072792	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2K+H"	78.933592
"1349978"	429.160407	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+DMSO+H"	79.021207
"1017777"	433.199576	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2ACN+H"	83.060376
"1536996"	434.193208	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+IsoProp+Na+H"	84.054008
"1003445"	217.103426	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+2ACN+2H"	84.067652
"1602447"	435.107828	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+K+HCOOH"	84.968628
"1429523"	465.139338	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+H+CF3COOH"	115.000138
"1156081"	237.616701	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+3ACN+2H"	125.094202
"1702352"	482.165885	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+NH4+CF3COOH"	132.026685
"1639098"	487.12128	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+Na+CF3COOH"	136.98208
"1583501"	503.09522	"C09438"	"Fagaronine"	"C21H20NO4"	"350.1392"	"M+K+CF3COOH"	152.95602
"804388"	420.1784	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M"	0
"976826"	401.16001	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-H2O-H"	-19.01839
"64094"	279.111657333333	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M-3H"	-3.021828
"517761"	419.171124	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M-3H"	-3.021828
"895156"	139.052190666667	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-3H"	-3.021828
"14506"	419.171124	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M-2H"	-2.014552
"454923"	629.260324	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M-2H"	-2.014552
"832437"	209.081924	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-2H"	-2.014552
"92714"	839.349524	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M-H"	-1.007276
"532765"	1259.527924	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M-H"	-1.007276
"908496"	419.171124	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-H"	-1.007276
"61540"	856.376071	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M-2H+NH4"	16.019271
"502190"	1276.554471	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M-2H+NH4"	16.019271
"878659"	436.197671	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-2H+NH4"	16.019271
"47100"	861.331466	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M-2H+Na"	20.974666
"477851"	1281.509866	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M-2H+Na"	20.974666
"863188"	441.153066	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-2H+Na"	20.974666
"1633572"	441.153066	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Na-2H"	20.974666
"108276"	437.159463	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M-H+Cl"	33.962126
"548807"	647.248663	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M-H+Cl"	33.962126
"941348"	227.070263	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-H+Cl"	33.962126
"281005"	875.326202	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+Cl"	34.969402
"674884"	1295.504602	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+Cl"	34.969402
"1287776"	455.147802	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Cl"	34.969402
"31349"	877.305406	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M-2H+K"	36.948606
"471189"	1297.483806	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M-2H+K"	36.948606
"848180"	457.127006	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-2H+K"	36.948606
"1571130"	457.127006	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+K-2H"	36.948606
"957367"	465.176594	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-H+HCOOH"	44.998194
"376063"	885.355001	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+HCOOH-H"	44.998201
"361357"	899.370651	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+Hac-H"	59.013851
"1508398"	479.192251	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Hac-H"	59.013851
"967937"	487.158551	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-H+NaCOOH"	66.980151
"116846"	455.147802	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+2Cl"	69.938804
"558591"	665.237002	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+2Cl"	69.938804
"1036138"	245.058602	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2Cl"	69.938804
"1246238"	499.097285	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Br"	78.918885
"1310512"	501.153272	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Cl+HCOOH"	80.974872
"1322907"	523.135229	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Cl+NaCOOH"	102.956829
"917975"	533.163986	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M-H+CF3COOH"	112.985586
"1299057"	569.140664	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Cl+CF3COOH"	148.962264
"1377221"	385.165724	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H-2H2O"	-35.012676
"1393622"	403.1757	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H-H2O"	-17.0027
"298415"	841.364076	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+H"	1.007276
"690352"	1261.542476	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+H"	1.007276
"1366334"	421.185676	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H"	1.007276
"139346"	421.185676	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+2H"	2.014552
"580365"	631.274876	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+2H"	2.014552
"1045517"	211.096476	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2H"	2.014552
"214512"	281.126209333333	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+3H"	3.021828
"658447"	421.185676	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+3H"	3.021828
"1178123"	141.066742666667	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+3H"	3.021828
"439696"	858.390623	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+NH4"	18.033823
"800975"	1278.569023	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+NH4"	18.033823
"1696733"	438.212223	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+NH4"	18.033823
"344970"	429.6989495	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+H+NH4"	19.041099
"733500"	639.7881495	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+H+NH4"	19.041099
"1489508"	219.6097495	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H+NH4"	19.041099
"404908"	863.346018	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+Na"	22.989218
"768821"	1283.524418	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+Na"	22.989218
"1617284"	443.167618	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Na"	22.989218
"328048"	432.176647	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+H+Na"	23.996494
"721563"	642.265847	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+H+Na"	23.996494
"1475752"	222.087447	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H+Na"	23.996494
"1067901"	148.394056666667	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2H+Na"	25.00377
"1272132"	453.211886	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+CH3OH+H"	33.033486
"383780"	879.319958	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+K"	38.963158
"742587"	1299.498358	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+K"	38.963158
"1542815"	459.141558	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+K"	38.963158
"306188"	440.163617	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+H+K"	39.970434
"693508"	650.252817	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+H+K"	39.970434
"1445993"	230.074417	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H+K"	39.970434
"236782"	882.390626	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+ACN+H"	42.033826
"1210460"	462.212226	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+ACN+H"	42.033826
"1195799"	231.609751	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+ACN+2H"	43.041102
"189404"	885.32796	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+2Na-H"	44.97116
"635534"	1305.50636	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+2Na-H"	44.97116
"1136123"	465.14956	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2Na-H"	44.97116
"184519"	443.167618	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+2Na"	45.978436
"627360"	653.256818	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+2Na"	45.978436
"1123575"	233.078418	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2Na"	45.978436
"1411110"	155.721370666667	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H+2Na"	46.985712
"1437027"	467.191146	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H+HCOOH"	47.012746
"227456"	448.20064	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+3H2O+2H"	56.04448
"1520985"	481.24319	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+IsoProp+H"	61.06479
"416299"	451.154588	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+Na+K"	61.952376
"782764"	661.243788	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+Na+K"	61.952376
"1678002"	241.065388	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Na+K"	61.952376
"264522"	904.372568	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+ACN+Na"	64.015768
"1233950"	484.194168	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+ACN+Na"	64.015768
"1722839"	484.217693	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+NH4+HCOOH"	64.039293
"1180293"	163.048684666667	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+3Na"	68.967654
"1653345"	489.173088	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Na+HCOOH"	68.994688
"158386"	917.27584	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+2K-H"	76.91904
"608888"	1337.45424	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+2K-H"	76.91904
"1091213"	497.09744	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2K-H"	76.91904
"149123"	459.141558	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"2M+2K"	77.926316
"596466"	669.230758	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"3M+2K"	77.926316
"1082920"	249.052358	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2K"	77.926316
"1114433"	499.111992	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2K+H"	78.933592
"1350458"	499.199607	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+DMSO+H"	79.021207
"1021095"	503.238776	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2ACN+H"	83.060376
"1538688"	504.232408	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+IsoProp+Na+H"	84.054008
"1005139"	252.123026	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+2ACN+2H"	84.067652
"1602193"	505.147028	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+K+HCOOH"	84.968628
"1429432"	535.178538	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+H+CF3COOH"	115.000138
"1159473"	272.636301	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+3ACN+2H"	125.094202
"1706837"	552.205085	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+NH4+CF3COOH"	132.026685
"1647956"	557.16048	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+Na+CF3COOH"	136.98208
"1583611"	573.13442	"C09439"	"Eupatocunoxin"	"C22H28O8"	"420.1784"	"M+K+CF3COOH"	152.95602
"804135"	248.1412	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M"	0
"974211"	229.12281	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"77216"	164.420190666667	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"514953"	247.133924	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"895191"	81.7064573333333	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"15471"	247.133924	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"455438"	371.204524	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"830157"	123.063324	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"93066"	495.275124	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"533924"	743.416324	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"911123"	247.133924	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"61402"	512.301671	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"501934"	760.442871	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"878761"	264.160471	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"37307"	517.257066	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"483063"	765.398266	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"861960"	269.115866	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1629671"	269.115866	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"108385"	265.122263	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"548797"	389.192863	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"940371"	141.051663	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"280022"	531.251802	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"673536"	779.393002	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1287034"	283.110602	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"31300"	533.231006	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"469152"	781.372206	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"848470"	285.089806	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1568621"	285.089806	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"958361"	293.139394	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"374719"	541.280601	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"361156"	555.296251	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1508362"	307.155051	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"969869"	315.121351	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"116956"	283.110602	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"557608"	407.181202	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1023124"	159.040002	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1244891"	327.060085	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1309529"	329.116072	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1323745"	351.098029	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"918086"	361.126786	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1298076"	397.103464	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1371863"	213.128524	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1395921"	231.1385	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"297437"	497.289676	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"689854"	745.430876	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1365474"	249.148476	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"133989"	249.148476	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"577922"	373.219076	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1048910"	125.077876	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"218999"	166.434742666667	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"659544"	249.148476	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1176694"	83.7210093333333	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"438864"	514.316223	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"800593"	762.457423	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1695466"	266.175023	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"343375"	257.6617495	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"730330"	381.7323495	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1485245"	133.5911495	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"405018"	519.271618	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"758357"	767.412818	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1610831"	271.130418	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"324149"	260.139447	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"713289"	384.210047	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1474405"	136.068847	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1064730"	91.0483233333333	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1270053"	281.174686	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"381702"	535.245558	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"742699"	783.386758	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1542563"	287.104358	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"299250"	268.126417	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"691917"	392.197017	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1446225"	144.055817	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"236408"	538.316226	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1210204"	290.175026	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1194490"	145.591151	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"189270"	541.25356	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"635643"	789.39476	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1136599"	293.11236	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"184629"	271.130418	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"627470"	395.201018	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1123684"	147.059818	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1411220"	98.3756373333333	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1437866"	295.153946	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"227566"	276.16344	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1521095"	309.20599	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"417504"	279.117388	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"776313"	403.187988	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1675925"	155.046788	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"266455"	560.298168	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1239164"	312.156968	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1717478"	312.180493	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1180646"	105.702951333333	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1651390"	317.135888	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"159592"	573.20144	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"608998"	821.34264	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1091323"	325.06024	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"156975"	287.104358	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"596701"	411.174958	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1083765"	163.033758	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1115443"	327.074792	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1350819"	327.162407	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1021246"	331.201576	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1538918"	332.195208	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"1004757"	166.104426	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1599261"	333.109828	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1429855"	363.141338	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1157396"	186.617701	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1711324"	380.167885	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1643693"	385.12328	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1583721"	401.09722	"C09440"	"Eupatolide"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"804245"	682.3254	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M"	0
"974860"	663.30701	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-H2O-H"	-19.01839
"76841"	453.876324	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M-3H"	-3.021828
"515063"	681.318124	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M-3H"	-3.021828
"892868"	226.434524	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-3H"	-3.021828
"13267"	681.318124	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M-2H"	-2.014552
"454528"	1022.480824	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M-2H"	-2.014552
"826987"	340.155424	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-2H"	-2.014552
"91718"	1363.643524	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M-H"	-1.007276
"533222"	2045.968924	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M-H"	-1.007276
"908958"	681.318124	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-H"	-1.007276
"59811"	1380.670071	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M-2H+NH4"	16.019271
"496089"	2062.995471	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M-2H+NH4"	16.019271
"869516"	698.344671	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-2H+NH4"	16.019271
"37417"	1385.625466	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M-2H+Na"	20.974666
"476247"	2067.950866	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M-2H+Na"	20.974666
"859154"	703.300066	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-2H+Na"	20.974666
"1624313"	703.300066	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Na-2H"	20.974666
"105214"	699.306463	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M-H+Cl"	33.962126
"545869"	1040.469163	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M-H+Cl"	33.962126
"937199"	358.143763	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-H+Cl"	33.962126
"279038"	1399.620202	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+Cl"	34.969402
"673646"	2081.945602	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+Cl"	34.969402
"1287387"	717.294802	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Cl"	34.969402
"31342"	1401.599406	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M-2H+K"	36.948606
"467803"	2083.924806	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M-2H+K"	36.948606
"845970"	719.274006	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-2H+K"	36.948606
"1569825"	719.274006	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+K-2H"	36.948606
"956247"	727.323594	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-H+HCOOH"	44.998194
"370087"	1409.649001	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+HCOOH-H"	44.998201
"360901"	1423.664651	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+Hac-H"	59.013851
"1508279"	741.339251	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Hac-H"	59.013851
"967062"	749.305551	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-H+NaCOOH"	66.980151
"117065"	717.294802	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+2Cl"	69.938804
"559904"	1058.457502	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+2Cl"	69.938804
"1023234"	376.132102	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2Cl"	69.938804
"1242814"	761.244285	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Br"	78.918885
"1304536"	763.300272	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Cl+HCOOH"	80.974872
"1320208"	785.282229	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Cl+NaCOOH"	102.956829
"918196"	795.310986	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M-H+CF3COOH"	112.985586
"1298186"	831.287664	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Cl+CF3COOH"	148.962264
"1371973"	647.312724	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H-2H2O"	-35.012676
"1394937"	665.3227	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H-H2O"	-17.0027
"297547"	1365.658076	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+H"	1.007276
"690776"	2047.983476	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+H"	1.007276
"1366962"	683.332676	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H"	1.007276
"131912"	683.332676	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+2H"	2.014552
"575845"	1024.495376	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+2H"	2.014552
"1043552"	342.169976	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2H"	2.014552
"214734"	455.890876	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+3H"	3.021828
"659163"	683.332676	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+3H"	3.021828
"1176076"	228.449076	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+3H"	3.021828
"437881"	1382.684623	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+NH4"	18.033823
"799609"	2065.010023	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+NH4"	18.033823
"1693753"	700.359223	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+NH4"	18.033823
"343485"	691.8459495	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+H+NH4"	19.041099
"730440"	1033.0086495	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+H+NH4"	19.041099
"1485355"	350.6832495	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H+NH4"	19.041099
"400754"	1387.640018	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+Na"	22.989218
"759559"	2069.965418	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+Na"	22.989218
"1609847"	705.314618	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Na"	22.989218
"316968"	694.323647	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+H+Na"	23.996494
"718867"	1035.486347	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+H+Na"	23.996494
"1473781"	353.160947	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H+Na"	23.996494
"1061559"	235.77639	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2H+Na"	25.00377
"1261050"	715.358886	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+CH3OH+H"	33.033486
"379259"	1403.613958	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+K"	38.963158
"740013"	2085.939358	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+K"	38.963158
"1540140"	721.288558	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+K"	38.963158
"299231"	702.310617	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+H+K"	39.970434
"692017"	1043.473317	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+H+K"	39.970434
"1447187"	361.147917	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H+K"	39.970434
"237247"	1406.684626	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+ACN+H"	42.033826
"1210555"	724.359226	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+ACN+H"	42.033826
"1194795"	362.683251	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+ACN+2H"	43.041102
"189372"	1409.62196	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+2Na-H"	44.97116
"637939"	2091.94736	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+2Na-H"	44.97116
"1133427"	727.29656	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2Na-H"	44.97116
"177083"	705.314618	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+2Na"	45.978436
"622112"	1046.477318	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+2Na"	45.978436
"1119785"	364.151918	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2Na"	45.978436
"1406954"	243.103704	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H+2Na"	46.985712
"1434330"	729.338146	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H+HCOOH"	47.012746
"221110"	710.34764	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+3H2O+2H"	56.04448
"1514645"	743.39019	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+IsoProp+H"	61.06479
"409589"	713.301588	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+Na+K"	61.952376
"772414"	1054.464288	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+Na+K"	61.952376
"1670568"	372.138888	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Na+K"	61.952376
"255995"	1428.666568	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+ACN+Na"	64.015768
"1230161"	746.341168	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+ACN+Na"	64.015768
"1713941"	746.364693	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+NH4+HCOOH"	64.039293
"1178885"	250.431018	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+3Na"	68.967654
"1649883"	751.320088	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Na+HCOOH"	68.994688
"157186"	1441.56984	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+2K-H"	76.91904
"597312"	2123.89524	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+2K-H"	76.91904
"1091433"	759.24444	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2K-H"	76.91904
"157127"	721.288558	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"2M+2K"	77.926316
"597091"	1062.451258	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"3M+2K"	77.926316
"1083511"	380.125858	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2K"	77.926316
"1115388"	761.258992	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2K+H"	78.933592
"1351276"	761.346607	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+DMSO+H"	79.021207
"1021027"	765.385776	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2ACN+H"	83.060376
"1538419"	766.379408	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+IsoProp+Na+H"	84.054008
"1002681"	383.196526	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+2ACN+2H"	84.067652
"1600464"	767.294028	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+K+HCOOH"	84.968628
"1429405"	797.325538	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+H+CF3COOH"	115.000138
"1156413"	403.709801	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+3ACN+2H"	125.094202
"1711433"	814.352085	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+NH4+CF3COOH"	132.026685
"1642710"	819.30748	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+Na+CF3COOH"	136.98208
"1583831"	835.28142	"C09441"	"Fetidine"	"C40H46N2O8"	"682.3254"	"M+K+CF3COOH"	152.95602
"807635"	362.1729	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M"	0
"976428"	343.15451	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"76707"	240.441324	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"514809"	361.165624	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"893706"	119.717024	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"10826"	361.165624	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"453547"	542.252074	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"828189"	180.079174	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"91342"	723.338524	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"531510"	1085.511424	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"908581"	361.165624	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"59679"	740.365071	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"496199"	1102.537971	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"869626"	378.192171	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"34611"	745.320466	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"478180"	1107.493366	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"858169"	383.147566	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1626609"	383.147566	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"103138"	379.153963	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"544886"	560.240413	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"937309"	198.067513	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"279148"	759.315202	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"672663"	1121.488102	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1287498"	397.142302	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"30541"	761.294406	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"469372"	1123.467306	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"844987"	399.121506	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1570299"	399.121506	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"957816"	407.171094	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"373115"	769.344001	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"360647"	783.359651	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1508265"	421.186751	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"969359"	429.153051	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"119362"	397.142302	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"560014"	578.228752	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1026626"	216.055852	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1241586"	441.091785	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1304807"	443.147772	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1320152"	465.129729	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"918306"	475.158486	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1298296"	511.135164	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1372083"	327.160224	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1395047"	345.1702	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"296925"	725.353076	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"690075"	1087.525976	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1365330"	363.180176	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"132022"	363.180176	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"572675"	544.266626	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1046942"	182.093726	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"219587"	242.455876	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"658789"	363.180176	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1177760"	121.731576	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"437627"	742.379623	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"798990"	1104.552523	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1693134"	380.206723	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"342502"	371.6934495	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"730550"	552.7798995	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1484372"	190.6069995	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"401958"	747.335018	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"758576"	1109.507918	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1606677"	385.162118	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"316714"	374.171147	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"717884"	555.257597	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1471704"	193.084697	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1060576"	129.05889	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1263345"	395.206386	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"379734"	763.308958	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"740122"	1125.481858	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1540591"	401.136058	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"298777"	382.158117	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"693107"	563.244567	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1447417"	201.071667	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"236258"	766.379626	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1210908"	404.206726	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1195034"	202.607001	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"189361"	769.31696	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"632581"	1131.48986	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1132808"	407.14406	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"178651"	385.162118	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"616389"	566.248568	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1120624"	204.075668	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1403418"	136.386204	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1435533"	409.185646	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"221218"	390.19514	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1510743"	423.23769	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"410428"	393.149088	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"772886"	574.235538	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1670678"	212.062638	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"256466"	788.361568	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1226987"	426.188668	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1713352"	426.212193	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1178911"	143.713518	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1650017"	431.167588	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"157227"	801.26484	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"598032"	1163.43774	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1089356"	439.09194	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"156629"	401.136058	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"595828"	582.222508	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1083014"	220.049608	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1114642"	441.106492	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1351235"	441.194107	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1021326"	445.233276	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1538897"	446.226908	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"1003884"	223.120276	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1601668"	447.141528	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1428909"	477.173038	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1160897"	243.633551	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1708267"	494.199585	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1643913"	499.15498	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1583941"	515.12892	"C09442"	"Eupatoriopicrin"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"807745"	392.1471	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M"	0
"980183"	373.12871	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H2O-H"	-19.01839
"76453"	260.424124	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-3H"	-3.021828
"515647"	391.139824	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-3H"	-3.021828
"894181"	129.708424	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-3H"	-3.021828
"12758"	391.139824	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H"	-2.014552
"454264"	587.213374	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H"	-2.014552
"830122"	195.066274	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H"	-2.014552
"92788"	783.286924	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-H"	-1.007276
"532713"	1175.434024	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-H"	-1.007276
"908449"	391.139824	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H"	-1.007276
"55657"	800.313471	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H+NH4"	16.019271
"495216"	1192.460571	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H+NH4"	16.019271
"873015"	408.166371	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H+NH4"	16.019271
"34357"	805.268866	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H+Na"	20.974666
"478290"	1197.415966	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H+Na"	20.974666
"859372"	413.121766	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H+Na"	20.974666
"1626719"	413.121766	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na-2H"	20.974666
"101060"	409.128163	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-H+Cl"	33.962126
"540621"	605.201713	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-H+Cl"	33.962126
"933045"	213.054613	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+Cl"	33.962126
"273790"	819.263602	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Cl"	34.969402
"670585"	1211.410702	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+Cl"	34.969402
"1286269"	427.116502	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl"	34.969402
"30288"	821.242806	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H+K"	36.948606
"469116"	1213.389906	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H+K"	36.948606
"846918"	429.095706	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H+K"	36.948606
"1566395"	429.095706	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K-2H"	36.948606
"950998"	437.145294	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+HCOOH"	44.998194
"371400"	829.292401	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+HCOOH-H"	44.998201
"353096"	843.308051	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Hac-H"	59.013851
"1507395"	451.160951	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Hac-H"	59.013851
"970562"	459.127251	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+NaCOOH"	66.980151
"117285"	427.116502	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2Cl"	69.938804
"556844"	623.190052	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2Cl"	69.938804
"1024548"	231.042952	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2Cl"	69.938804
"1244126"	471.065985	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Br"	78.918885
"1306575"	473.121972	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl+HCOOH"	80.974872
"1321886"	495.103929	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl+NaCOOH"	102.956829
"917322"	505.132686	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+CF3COOH"	112.985586
"1299499"	541.109364	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl+CF3COOH"	148.962264
"1373286"	357.134424	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H-2H2O"	-35.012676
"1391877"	375.1444	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H-H2O"	-17.0027
"292656"	785.301476	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H"	1.007276
"687267"	1177.448576	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H"	1.007276
"1365074"	393.154376	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H"	1.007276
"132132"	393.154376	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2H"	2.014552
"568776"	589.227926	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2H"	2.014552
"1047052"	197.080826	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2H"	2.014552
"216778"	262.438676	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+3H"	3.021828
"657068"	393.154376	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+3H"	3.021828
"1178282"	131.722976	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+3H"	3.021828
"438831"	802.328023	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+NH4"	18.033823
"799461"	1194.475123	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+NH4"	18.033823
"1694335"	410.180923	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+NH4"	18.033823
"344798"	401.6676495	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H+NH4"	19.041099
"730659"	597.7411995	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H+NH4"	19.041099
"1486668"	205.5940995	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+NH4"	19.041099
"403161"	807.283418	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Na"	22.989218
"756499"	1199.430518	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+Na"	22.989218
"1607880"	415.136318	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na"	22.989218
"317917"	404.145347	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H+Na"	23.996494
"717994"	600.218897	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H+Na"	23.996494
"1471814"	208.071797	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+Na"	23.996494
"1060686"	139.05029	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2H+Na"	25.00377
"1261270"	425.180586	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+CH3OH+H"	33.033486
"379115"	823.257358	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+K"	38.963158
"739745"	1215.404458	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+K"	38.963158
"1542891"	431.110258	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K"	38.963158
"299457"	412.132317	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H+K"	39.970434
"692123"	608.205867	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H+K"	39.970434
"1447406"	216.058767	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+K"	39.970434
"237830"	826.328026	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+ACN+H"	42.033826
"1210171"	434.180926	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+ACN+H"	42.033826
"1194779"	217.594101	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+ACN+2H"	43.041102
"188990"	829.26536	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2Na-H"	44.97116
"634148"	1221.41246	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2Na-H"	44.97116
"1134375"	437.11826	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2Na-H"	44.97116
"180583"	415.136318	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2Na"	45.978436
"617592"	611.209868	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2Na"	45.978436
"1121827"	219.062768	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2Na"	45.978436
"1402798"	146.377604	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+2Na"	46.985712
"1435642"	439.159846	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+HCOOH"	47.012746
"223152"	420.16934	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+3H2O+2H"	56.04448
"1511945"	453.21189	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+IsoProp+H"	61.06479
"411267"	423.123288	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Na+K"	61.952376
"772266"	619.196838	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+Na+K"	61.952376
"1667500"	227.049738	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na+K"	61.952376
"256212"	848.309968	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+ACN+Na"	64.015768
"1227461"	456.162868	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+ACN+Na"	64.015768
"1712830"	456.186393	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+NH4+HCOOH"	64.039293
"1179140"	153.704918	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+3Na"	68.967654
"1650983"	461.141788	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na+HCOOH"	68.994688
"157845"	861.21324	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2K-H"	76.91904
"597778"	1253.36034	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2K-H"	76.91904
"1088737"	469.06614	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2K-H"	76.91904
"156619"	431.110258	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2K"	77.926316
"595938"	627.183808	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2K"	77.926316
"1084058"	235.036708	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2K"	77.926316
"1115325"	471.080692	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2K+H"	78.933592
"1350661"	471.168307	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+DMSO+H"	79.021207
"1020843"	475.207476	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2ACN+H"	83.060376
"1539128"	476.201108	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+IsoProp+Na+H"	84.054008
"1002901"	238.107376	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2ACN+2H"	84.067652
"1600685"	477.115728	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K+HCOOH"	84.968628
"1429140"	507.147238	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+CF3COOH"	115.000138
"1158821"	258.620651	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+3ACN+2H"	125.094202
"1709470"	524.173785	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+NH4+CF3COOH"	132.026685
"1644023"	529.12918	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na+CF3COOH"	136.98208
"1584051"	545.10312	"C09443"	"Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K+CF3COOH"	152.95602
"807855"	369.1576	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M"	0
"978106"	350.13921	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-H2O-H"	-19.01839
"77294"	245.097790666667	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M-3H"	-3.021828
"515757"	368.150324	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M-3H"	-3.021828
"893927"	122.045257333333	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-3H"	-3.021828
"14690"	368.150324	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M-2H"	-2.014552
"454977"	552.729124	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M-2H"	-2.014552
"828410"	183.571524	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-2H"	-2.014552
"89495"	737.307924	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M-H"	-1.007276
"533066"	1106.465524	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M-H"	-1.007276
"909043"	368.150324	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-H"	-1.007276
"57954"	754.334471	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M-2H+NH4"	16.019271
"495326"	1123.492071	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M-2H+NH4"	16.019271
"876406"	385.176871	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-2H+NH4"	16.019271
"41028"	759.289866	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M-2H+Na"	20.974666
"481680"	1128.447466	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M-2H+Na"	20.974666
"860576"	390.132266	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-2H+Na"	20.974666
"1633798"	390.132266	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Na-2H"	20.974666
"104451"	386.138663	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M-H+Cl"	33.962126
"539637"	570.717463	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M-H+Cl"	33.962126
"938621"	201.559863	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-H+Cl"	33.962126
"280096"	773.284602	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+Cl"	34.969402
"671786"	1142.442202	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+Cl"	34.969402
"1284192"	404.127002	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Cl"	34.969402
"28935"	775.263806	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M-2H+K"	36.948606
"469590"	1144.421406	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M-2H+K"	36.948606
"845934"	406.106206	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-2H+K"	36.948606
"1561038"	406.106206	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+K-2H"	36.948606
"948921"	414.155794	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-H+HCOOH"	44.998194
"368230"	783.313401	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+HCOOH-H"	44.998201
"353206"	797.329051	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+Hac-H"	59.013851
"1507870"	428.171451	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Hac-H"	59.013851
"961924"	436.137751	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-H+NaCOOH"	66.980151
"113022"	404.127002	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+2Cl"	69.938804
"553674"	588.705802	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+2Cl"	69.938804
"1023565"	219.548202	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2Cl"	69.938804
"1243506"	448.076485	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Br"	78.918885
"1304861"	450.132472	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Cl+HCOOH"	80.974872
"1320903"	472.114429	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Cl+NaCOOH"	102.956829
"914150"	482.143186	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M-H+CF3COOH"	112.985586
"1299974"	518.119864	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Cl+CF3COOH"	148.962264
"1375582"	334.144924	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H-2H2O"	-35.012676
"1391986"	352.1549	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H-H2O"	-17.0027
"292766"	739.322476	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+H"	1.007276
"687376"	1108.480076	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+H"	1.007276
"1358254"	370.164876	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H"	1.007276
"135526"	370.164876	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+2H"	2.014552
"575082"	554.743676	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+2H"	2.014552
"1044242"	185.586076	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2H"	2.014552
"215066"	247.112342666667	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+3H"	3.021828
"655720"	370.164876	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+3H"	3.021828
"1175305"	124.059809333333	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+3H"	3.021828
"434929"	756.349023	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+NH4"	18.033823
"799207"	1125.506623	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+NH4"	18.033823
"1690800"	387.191423	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+NH4"	18.033823
"342356"	378.6781495	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+H+NH4"	19.041099
"731862"	563.2569495	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+H+NH4"	19.041099
"1486778"	194.0993495	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H+NH4"	19.041099
"403271"	761.304418	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+Na"	22.989218
"758795"	1130.462018	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+Na"	22.989218
"1609083"	392.146818	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Na"	22.989218
"318025"	381.155847	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+H+Na"	23.996494
"715917"	565.734647	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+H+Na"	23.996494
"1466456"	196.577047	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H+Na"	23.996494
"1059702"	131.387123333333	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2H+Na"	25.00377
"1262473"	402.191086	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+CH3OH+H"	33.033486
"381046"	777.278358	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+K"	38.963158
"739492"	1146.435958	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+K"	38.963158
"1541543"	408.120758	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+K"	38.963158
"298552"	389.142817	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+H+K"	39.970434
"691541"	573.721617	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+H+K"	39.970434
"1447151"	204.564017	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H+K"	39.970434
"237211"	780.349026	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+ACN+H"	42.033826
"1211743"	411.191426	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+ACN+H"	42.033826
"1194893"	206.099351	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+ACN+2H"	43.041102
"191414"	783.28636	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+2Na-H"	44.97116
"633893"	1152.44396	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+2Na-H"	44.97116
"1134122"	414.12876	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2Na-H"	44.97116
"183974"	392.146818	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+2Na"	45.978436
"618797"	576.725618	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+2Na"	45.978436
"1121574"	207.568018	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2Na"	45.978436
"1408378"	138.714437333333	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H+2Na"	46.985712
"1435024"	416.170346	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H+HCOOH"	47.012746
"222533"	397.17984	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+3H2O+2H"	56.04448
"1510963"	430.22239	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+IsoProp+H"	61.06479
"411379"	400.133788	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+Na+K"	61.952376
"772743"	584.712588	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+Na+K"	61.952376
"1668343"	215.554988	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Na+K"	61.952376
"254499"	802.330968	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+ACN+Na"	64.015768
"1227571"	433.173368	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+ACN+Na"	64.015768
"1712977"	433.196893	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+NH4+HCOOH"	64.039293
"1178558"	146.041751333333	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+3Na"	68.967654
"1650735"	438.152288	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Na+HCOOH"	68.994688
"159059"	815.23424	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+2K-H"	76.91904
"598375"	1184.39184	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+2K-H"	76.91904
"1087753"	446.07664	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2K-H"	76.91904
"156607"	408.120758	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"2M+2K"	77.926316
"596741"	592.699558	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"3M+2K"	77.926316
"1083764"	223.541958	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2K"	77.926316
"1114993"	448.091192	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2K+H"	78.933592
"1350648"	448.178807	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+DMSO+H"	79.021207
"1020872"	452.217976	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2ACN+H"	83.060376
"1538875"	453.211608	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+IsoProp+Na+H"	84.054008
"1003009"	226.612626	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+2ACN+2H"	84.067652
"1600794"	454.126228	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+K+HCOOH"	84.968628
"1427549"	484.157738	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+H+CF3COOH"	115.000138
"1158931"	247.125901	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+3ACN+2H"	125.094202
"1712253"	501.184285	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+NH4+CF3COOH"	132.026685
"1643040"	506.13968	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+Na+CF3COOH"	136.98208
"1584161"	522.11362	"C09444"	"Fumaricine"	"C21H23NO5"	"369.1576"	"M+K+CF3COOH"	152.95602
"804685"	237.1365	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M"	0
"975300"	218.11811	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-H2O-H"	-19.01839
"76308"	157.083724	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M-3H"	-3.021828
"515867"	236.129224	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M-3H"	-3.021828
"892942"	78.038224	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-3H"	-3.021828
"13708"	236.129224	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M-2H"	-2.014552
"454602"	354.697474	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M-2H"	-2.014552
"827427"	117.560974	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-2H"	-2.014552
"87419"	473.265724	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M-H"	-1.007276
"531354"	710.402224	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M-H"	-1.007276
"909155"	236.129224	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-H"	-1.007276
"58064"	490.292271	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M-2H+NH4"	16.019271
"495435"	727.428771	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M-2H+NH4"	16.019271
"869956"	253.155771	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-2H+NH4"	16.019271
"41138"	495.247666	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M-2H+Na"	20.974666
"480697"	732.384166	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M-2H+Na"	20.974666
"860686"	258.111166	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-2H+Na"	20.974666
"1632406"	258.111166	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Na-2H"	20.974666
"102374"	254.117563	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M-H+Cl"	33.962126
"538654"	372.685813	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M-H+Cl"	33.962126
"937638"	135.549313	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-H+Cl"	33.962126
"277291"	509.242402	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+Cl"	34.969402
"670803"	746.378902	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+Cl"	34.969402
"1284667"	272.105902	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Cl"	34.969402
"26859"	511.221606	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M-2H+K"	36.948606
"467514"	748.358106	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M-2H+K"	36.948606
"845315"	274.085106	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-2H+K"	36.948606
"1561148"	274.085106	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+K-2H"	36.948606
"949031"	282.134694	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-H+HCOOH"	44.998194
"368340"	519.271201	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+HCOOH-H"	44.998201
"354409"	533.286851	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+Hac-H"	59.013851
"1506886"	296.150351	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Hac-H"	59.013851
"963129"	304.116651	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-H+NaCOOH"	66.980151
"113132"	272.105902	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+2Cl"	69.938804
"554878"	390.674152	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+2Cl"	69.938804
"1024769"	153.537652	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2Cl"	69.938804
"1245439"	316.055385	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Br"	78.918885
"1304971"	318.111372	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Cl+HCOOH"	80.974872
"1321013"	340.093329	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Cl+NaCOOH"	102.956829
"914260"	350.122086	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M-H+CF3COOH"	112.985586
"1300448"	386.098764	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Cl+CF3COOH"	148.962264
"1375692"	202.123824	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H-2H2O"	-35.012676
"1392096"	220.1338	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H-H2O"	-17.0027
"291781"	475.280276	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+H"	1.007276
"687486"	712.416776	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+H"	1.007276
"1358364"	238.143776	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H"	1.007276
"131258"	238.143776	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+2H"	2.014552
"569723"	356.712026	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+2H"	2.014552
"1046174"	119.575526	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2H"	2.014552
"215539"	159.098276	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+3H"	3.021828
"654007"	238.143776	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+3H"	3.021828
"1175415"	80.052776	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+3H"	3.021828
"435768"	492.306823	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+NH4"	18.033823
"796401"	729.443323	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+NH4"	18.033823
"1691273"	255.170323	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+NH4"	18.033823
"338456"	246.6570495	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+H+NH4"	19.041099
"726868"	365.2252995	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+H+NH4"	19.041099
"1483608"	128.0887995	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H+NH4"	19.041099
"400101"	497.262218	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+Na"	22.989218
"758905"	734.398718	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+Na"	22.989218
"1607006"	260.125718	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Na"	22.989218
"315948"	249.134747	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+H+Na"	23.996494
"713840"	367.702997	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+H+Na"	23.996494
"1466566"	130.566497	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H+Na"	23.996494
"1056532"	87.38009	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2H+Na"	25.00377
"1260395"	270.169986	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+CH3OH+H"	33.033486
"378119"	513.236158	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+K"	38.963158
"738580"	750.372658	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+K"	38.963158
"1540924"	276.099658	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+K"	38.963158
"298826"	257.121717	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+H+K"	39.970434
"691423"	375.689967	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+H+K"	39.970434
"1446533"	138.553467	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H+K"	39.970434
"239509"	516.306826	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+ACN+H"	42.033826
"1212580"	279.170326	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+ACN+H"	42.033826
"1195366"	140.088801	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+ACN+2H"	43.041102
"188959"	519.24416	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+2Na-H"	44.97116
"628809"	756.38066	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+2Na-H"	44.97116
"1131913"	282.10766	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2Na-H"	44.97116
"176062"	260.125718	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+2Na"	45.978436
"618178"	378.693968	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+2Na"	45.978436
"1121684"	141.557468	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2Na"	45.978436
"1405207"	94.707404	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H+2Na"	46.985712
"1432218"	284.149246	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H+HCOOH"	47.012746
"225562"	265.15874	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+3H2O+2H"	56.04448
"1510705"	298.20129	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+IsoProp+H"	61.06479
"411125"	268.112688	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+Na+K"	61.952376
"771510"	386.680938	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+Na+K"	61.952376
"1667720"	149.544438	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Na+K"	61.952376
"254607"	538.288768	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+ACN+Na"	64.015768
"1225974"	301.152268	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+ACN+Na"	64.015768
"1712865"	301.175793	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+NH4+HCOOH"	64.039293
"1178524"	102.034718	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+3Na"	68.967654
"1651453"	306.131188	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Na+HCOOH"	68.994688
"157463"	551.19204	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+2K-H"	76.91904
"597549"	788.32854	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+2K-H"	76.91904
"1085669"	314.05554	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2K-H"	76.91904
"156986"	276.099658	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"2M+2K"	77.926316
"597055"	394.667908	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"3M+2K"	77.926316
"1084181"	157.531408	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2K"	77.926316
"1115520"	316.070092	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2K+H"	78.933592
"1351119"	316.157707	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+DMSO+H"	79.021207
"1021103"	320.196876	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2ACN+H"	83.060376
"1539227"	321.190508	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+IsoProp+Na+H"	84.054008
"1003120"	160.602076	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+2ACN+2H"	84.067652
"1599811"	322.105128	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+K+HCOOH"	84.968628
"1427659"	352.136638	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+H+CF3COOH"	115.000138
"1157948"	181.115351	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+3ACN+2H"	125.094202
"1711877"	369.163185	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+NH4+CF3COOH"	132.026685
"1643150"	374.11858	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+Na+CF3COOH"	136.98208
"1584271"	390.09252	"C09445"	"Gigantine"	"C13H19NO3"	"237.1365"	"M+K+CF3COOH"	152.95602
"813543"	355.1784	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M"	0
"976139"	336.16001	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-H2O-H"	-19.01839
"76054"	235.778324	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M-3H"	-3.021828
"514884"	354.171124	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M-3H"	-3.021828
"892323"	117.385524	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-3H"	-3.021828
"14183"	354.171124	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M-2H"	-2.014552
"454471"	531.760324	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M-2H"	-2.014552
"827537"	176.581924	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-2H"	-2.014552
"89716"	709.349524	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M-H"	-1.007276
"530371"	1064.527924	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M-H"	-1.007276
"907807"	354.171124	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-H"	-1.007276
"58540"	726.376071	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M-2H+NH4"	16.019271
"494452"	1081.554471	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M-2H+NH4"	16.019271
"870067"	371.197671	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-2H+NH4"	16.019271
"41248"	731.331466	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M-2H+Na"	20.974666
"480807"	1086.509866	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M-2H+Na"	20.974666
"860796"	376.153066	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-2H+Na"	20.974666
"1632516"	376.153066	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Na-2H"	20.974666
"109370"	372.159463	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M-H+Cl"	33.962126
"544232"	549.748663	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M-H+Cl"	33.962126
"937749"	194.570263	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-H+Cl"	33.962126
"279589"	745.326202	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+Cl"	34.969402
"673468"	1100.504602	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+Cl"	34.969402
"1285506"	390.147802	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Cl"	34.969402
"28063"	747.305406	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M-2H+K"	36.948606
"469447"	1102.483806	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M-2H+K"	36.948606
"845425"	392.127006	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-2H+K"	36.948606
"1561258"	392.127006	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+K-2H"	36.948606
"952421"	400.176594	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-H+HCOOH"	44.998194
"368450"	755.355001	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+HCOOH-H"	44.998201
"353426"	769.370651	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+Hac-H"	59.013851
"1507727"	414.192251	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Hac-H"	59.013851
"963238"	422.158551	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-H+NaCOOH"	66.980151
"114334"	390.147802	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+2Cl"	69.938804
"556080"	567.737002	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+2Cl"	69.938804
"1023785"	212.558602	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2Cl"	69.938804
"1243364"	434.097285	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Br"	78.918885
"1305078"	436.153272	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Cl+HCOOH"	80.974872
"1322216"	458.135229	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Cl+NaCOOH"	102.956829
"914370"	468.163986	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M-H+CF3COOH"	112.985586
"1299829"	504.140664	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Cl+CF3COOH"	148.962264
"1375802"	320.165724	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H-2H2O"	-35.012676
"1392206"	338.1757	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H-H2O"	-17.0027
"290798"	711.364076	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+H"	1.007276
"689783"	1066.542476	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+H"	1.007276
"1358474"	356.185676	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H"	1.007276
"132457"	356.185676	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+2H"	2.014552
"572017"	533.774876	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+2H"	2.014552
"1044097"	178.596476	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2H"	2.014552
"212733"	237.792876	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+3H"	3.021828
"651564"	356.185676	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+3H"	3.021828
"1168597"	119.400076	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+3H"	3.021828
"429681"	728.390623	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+NH4"	18.033823
"789580"	1083.569023	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+NH4"	18.033823
"1689195"	373.212223	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+NH4"	18.033823
"332735"	364.6989495	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+H+NH4"	19.041099
"725155"	542.2881495	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+H+NH4"	19.041099
"1483716"	187.1097495	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H+NH4"	19.041099
"400209"	733.346018	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+Na"	22.989218
"757920"	1088.524418	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+Na"	22.989218
"1604926"	378.167618	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Na"	22.989218
"316057"	367.176647	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+H+Na"	23.996494
"713950"	544.765847	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+H+Na"	23.996494
"1466676"	189.587447	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H+Na"	23.996494
"1054453"	126.72739	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2H+Na"	25.00377
"1263780"	388.211886	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+CH3OH+H"	33.033486
"378108"	749.319958	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+K"	38.963158
"740067"	1104.498358	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+K"	38.963158
"1540461"	394.141558	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+K"	38.963158
"299298"	375.163617	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+H+K"	39.970434
"691396"	552.752817	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+H+K"	39.970434
"1446640"	197.574417	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H+K"	39.970434
"236699"	752.390626	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+ACN+H"	42.033826
"1209939"	397.212226	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+ACN+H"	42.033826
"1194499"	199.109751	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+ACN+2H"	43.041102
"188636"	755.32796	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+2Na-H"	44.97116
"629239"	1110.50636	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+2Na-H"	44.97116
"1131458"	400.14956	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2Na-H"	44.97116
"174342"	378.167618	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+2Na"	45.978436
"615003"	555.756818	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+2Na"	45.978436
"1119241"	200.578418	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2Na"	45.978436
"1404224"	134.054704	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H+2Na"	46.985712
"1433787"	402.191146	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H+HCOOH"	47.012746
"224944"	383.20064	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+3H2O+2H"	56.04448
"1511179"	416.24319	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+IsoProp+H"	61.06479
"411603"	386.154588	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+Na+K"	61.952376
"772228"	563.743788	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+Na+K"	61.952376
"1668195"	208.565388	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Na+K"	61.952376
"253622"	774.372568	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+ACN+Na"	64.015768
"1227424"	419.194168	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+ACN+Na"	64.015768
"1714123"	419.217693	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+NH4+HCOOH"	64.039293
"1178561"	141.382018	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+3Na"	68.967654
"1650470"	424.173088	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Na+HCOOH"	68.994688
"157696"	787.27584	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+2K-H"	76.91904
"597573"	1142.45424	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+2K-H"	76.91904
"1084515"	432.09744	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2K-H"	76.91904
"153178"	394.141558	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"2M+2K"	77.926316
"596631"	571.730758	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"3M+2K"	77.926316
"1083455"	216.552358	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2K"	77.926316
"1115466"	434.111992	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2K+H"	78.933592
"1351148"	434.199607	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+DMSO+H"	79.021207
"1021010"	438.238776	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2ACN+H"	83.060376
"1534594"	439.232408	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+IsoProp+Na+H"	84.054008
"999950"	219.623026	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+2ACN+2H"	84.067652
"1597735"	440.147028	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+K+HCOOH"	84.968628
"1428862"	470.178538	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+H+CF3COOH"	115.000138
"1158058"	240.136301	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+3ACN+2H"	125.094202
"1710892"	487.205085	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+NH4+CF3COOH"	132.026685
"1643260"	492.16048	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+Na+CF3COOH"	136.98208
"1584381"	508.13442	"C09446"	"Glaucine"	"C21H25NO4"	"355.1784"	"M+K+CF3COOH"	152.95602
"804905"	392.1471	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M"	0
"975520"	373.12871	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H2O-H"	-19.01839
"76165"	260.424124	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-3H"	-3.021828
"516452"	391.139824	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-3H"	-3.021828
"893526"	129.708424	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-3H"	-3.021828
"13930"	391.139824	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H"	-2.014552
"453122"	587.213374	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H"	-2.014552
"824367"	195.066274	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H"	-2.014552
"89463"	783.286924	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-H"	-1.007276
"529022"	1175.434024	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-H"	-1.007276
"907919"	391.139824	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H"	-1.007276
"56098"	800.313471	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H+NH4"	16.019271
"495655"	1192.460571	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H+NH4"	16.019271
"870177"	408.166371	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H+NH4"	16.019271
"42088"	805.268866	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H+Na"	20.974666
"483833"	1197.415966	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H+Na"	20.974666
"858719"	413.121766	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H+Na"	20.974666
"1632995"	413.121766	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na-2H"	20.974666
"108672"	409.128163	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-H+Cl"	33.962126
"542155"	605.201713	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-H+Cl"	33.962126
"937859"	213.054613	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+Cl"	33.962126
"277513"	819.263602	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Cl"	34.969402
"672120"	1211.410702	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+Cl"	34.969402
"1284523"	427.116502	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl"	34.969402
"28173"	821.242806	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M-2H+K"	36.948606
"469558"	1213.389906	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M-2H+K"	36.948606
"847364"	429.095706	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-2H+K"	36.948606
"1568660"	429.095706	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K-2H"	36.948606
"955448"	437.145294	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+HCOOH"	44.998194
"376544"	829.292401	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+HCOOH-H"	44.998201
"360470"	843.308051	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Hac-H"	59.013851
"1507715"	451.160951	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Hac-H"	59.013851
"967723"	459.127251	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+NaCOOH"	66.980151
"116630"	427.116502	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2Cl"	69.938804
"558377"	623.190052	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2Cl"	69.938804
"1023894"	231.042952	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2Cl"	69.938804
"1245659"	471.065985	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Br"	78.918885
"1305194"	473.121972	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl+HCOOH"	80.974872
"1322326"	495.103929	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl+NaCOOH"	102.956829
"913752"	505.132686	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M-H+CF3COOH"	112.985586
"1294471"	541.109364	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Cl+CF3COOH"	148.962264
"1374819"	357.134424	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H-2H2O"	-35.012676
"1392316"	375.1444	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H-H2O"	-17.0027
"290908"	785.301476	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H"	1.007276
"683330"	1177.448576	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H"	1.007276
"1361864"	393.154376	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H"	1.007276
"133660"	393.154376	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2H"	2.014552
"575407"	589.227926	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2H"	2.014552
"1042747"	197.080826	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2H"	2.014552
"209927"	262.438676	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+3H"	3.021828
"651674"	393.154376	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+3H"	3.021828
"1165791"	131.722976	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+3H"	3.021828
"427968"	802.328023	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+NH4"	18.033823
"790055"	1194.475123	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+NH4"	18.033823
"1689305"	410.180923	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+NH4"	18.033823
"333938"	401.6676495	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H+NH4"	19.041099
"725996"	597.7411995	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H+NH4"	19.041099
"1482730"	205.5940995	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+NH4"	19.041099
"397037"	807.283418	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Na"	22.989218
"762407"	1199.430518	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+Na"	22.989218
"1604427"	415.136318	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na"	22.989218
"316166"	404.145347	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H+Na"	23.996494
"711871"	600.218897	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H+Na"	23.996494
"1467879"	208.071797	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+Na"	23.996494
"1054563"	139.05029	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2H+Na"	25.00377
"1262798"	425.180586	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+CH3OH+H"	33.033486
"378456"	823.257358	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+K"	38.963158
"739812"	1215.404458	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+K"	38.963158
"1540774"	431.110258	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K"	38.963158
"299529"	412.132317	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+H+K"	39.970434
"691510"	608.205867	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+H+K"	39.970434
"1446385"	216.058767	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+K"	39.970434
"235916"	826.328026	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+ACN+H"	42.033826
"1210244"	434.180926	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+ACN+H"	42.033826
"1194974"	217.594101	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+ACN+2H"	43.041102
"189422"	829.26536	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2Na-H"	44.97116
"629590"	1221.41246	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2Na-H"	44.97116
"1132364"	437.11826	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2Na-H"	44.97116
"173964"	415.136318	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2Na"	45.978436
"616209"	611.209868	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2Na"	45.978436
"1120810"	219.062768	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2Na"	45.978436
"1404334"	146.377604	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+2Na"	46.985712
"1434990"	439.159846	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+HCOOH"	47.012746
"222134"	420.16934	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+3H2O+2H"	56.04448
"1510925"	453.21189	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+IsoProp+H"	61.06479
"411713"	423.123288	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+Na+K"	61.952376
"771975"	619.196838	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+Na+K"	61.952376
"1668670"	227.049738	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na+K"	61.952376
"253732"	848.309968	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+ACN+Na"	64.015768
"1226438"	456.162868	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+ACN+Na"	64.015768
"1712719"	456.186393	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+NH4+HCOOH"	64.039293
"1178520"	153.704918	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+3Na"	68.967654
"1651305"	461.141788	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na+HCOOH"	68.994688
"157233"	861.21324	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2K-H"	76.91904
"597190"	1253.36034	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2K-H"	76.91904
"1084215"	469.06614	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2K-H"	76.91904
"153288"	431.110258	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"2M+2K"	77.926316
"596503"	627.183808	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"3M+2K"	77.926316
"1083692"	235.036708	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2K"	77.926316
"1115395"	471.080692	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2K+H"	78.933592
"1350973"	471.168307	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+DMSO+H"	79.021207
"1018767"	475.207476	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2ACN+H"	83.060376
"1537619"	476.201108	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+IsoProp+Na+H"	84.054008
"1002244"	238.107376	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+2ACN+2H"	84.067652
"1601125"	477.115728	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K+HCOOH"	84.968628
"1428972"	507.147238	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+H+CF3COOH"	115.000138
"1157074"	258.620651	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+3ACN+2H"	125.094202
"1711003"	524.173785	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+NH4+CF3COOH"	132.026685
"1643370"	529.12918	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+Na+CF3COOH"	136.98208
"1584491"	545.10312	"C09447"	"10-epi-Eupatoroxin"	"C20H24O8"	"392.1471"	"M+K+CF3COOH"	152.95602
"805015"	376.1522	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M"	0
"976723"	357.13381	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-H2O-H"	-19.01839
"77611"	249.760857333333	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M-3H"	-3.021828
"517291"	375.144924	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M-3H"	-3.021828
"892906"	124.376790666667	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-3H"	-3.021828
"14764"	375.144924	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M-2H"	-2.014552
"453228"	563.221024	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M-2H"	-2.014552
"828486"	187.068824	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-2H"	-2.014552
"90664"	751.297124	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M-H"	-1.007276
"527310"	1127.449324	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M-H"	-1.007276
"909482"	375.144924	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-H"	-1.007276
"58393"	768.323671	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M-2H+NH4"	16.019271
"499413"	1144.475871	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M-2H+NH4"	16.019271
"867007"	392.171471	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-2H+NH4"	16.019271
"43655"	773.279066	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M-2H+Na"	20.974666
"481027"	1149.431266	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M-2H+Na"	20.974666
"858829"	397.126866	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-2H+Na"	20.974666
"1632615"	397.126866	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Na-2H"	20.974666
"102703"	393.133263	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M-H+Cl"	33.962126
"543358"	581.209363	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M-H+Cl"	33.962126
"939062"	205.057163	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-H+Cl"	33.962126
"280173"	787.273802	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+Cl"	34.969402
"672230"	1163.426002	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+Cl"	34.969402
"1285362"	411.121602	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Cl"	34.969402
"29376"	789.253006	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M-2H+K"	36.948606
"469670"	1165.405206	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M-2H+K"	36.948606
"847961"	413.100806	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-2H+K"	36.948606
"1570230"	413.100806	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+K-2H"	36.948606
"957624"	421.150394	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-H+HCOOH"	44.998194
"376925"	797.302601	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+HCOOH-H"	44.998201
"360824"	811.318251	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+Hac-H"	59.013851
"1508111"	435.166051	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Hac-H"	59.013851
"973789"	443.132351	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-H+NaCOOH"	66.980151
"116740"	411.121602	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+2Cl"	69.938804
"565131"	599.197702	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+2Cl"	69.938804
"1026192"	223.045502	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2Cl"	69.938804
"1249051"	455.071085	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Br"	78.918885
"1305668"	457.127072	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Cl+HCOOH"	80.974872
"1322436"	479.109029	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Cl+NaCOOH"	102.956829
"917870"	489.137786	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M-H+CF3COOH"	112.985586
"1295673"	525.114464	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Cl+CF3COOH"	148.962264
"1379302"	341.139524	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H-2H2O"	-35.012676
"1395341"	359.1495	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H-H2O"	-17.0027
"295028"	753.311676	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+H"	1.007276
"687813"	1129.463876	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+H"	1.007276
"1361975"	377.159476	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H"	1.007276
"132676"	377.159476	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+2H"	2.014552
"574424"	565.235576	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+2H"	2.014552
"1043586"	189.083376	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2H"	2.014552
"211130"	251.775409333333	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+3H"	3.021828
"650691"	377.159476	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+3H"	3.021828
"1169909"	126.391342666667	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+3H"	3.021828
"429169"	770.338223	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+NH4"	18.033823
"791257"	1146.490423	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+NH4"	18.033823
"1686135"	394.186023	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+NH4"	18.033823
"334413"	385.6727495	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+H+NH4"	19.041099
"726470"	573.7488495	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+H+NH4"	19.041099
"1479558"	197.5966495	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H+NH4"	19.041099
"399335"	775.293618	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+Na"	22.989218
"764703"	1151.445818	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+Na"	22.989218
"1607333"	399.141418	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Na"	22.989218
"316276"	388.150447	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+H+Na"	23.996494
"711981"	576.226547	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+H+Na"	23.996494
"1470176"	200.074347	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H+Na"	23.996494
"1055767"	133.718656666667	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2H+Na"	25.00377
"1259630"	409.185686	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+CH3OH+H"	33.033486
"378203"	791.267558	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+K"	38.963158
"739194"	1167.419758	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+K"	38.963158
"1540059"	415.115358	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+K"	38.963158
"299763"	396.137417	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+H+K"	39.970434
"691660"	584.213517	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+H+K"	39.970434
"1445612"	208.061317	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H+K"	39.970434
"236797"	794.338226	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+ACN+H"	42.033826
"1211206"	418.186026	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+ACN+H"	42.033826
"1194294"	209.596651	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+ACN+2H"	43.041102
"188846"	797.27556	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+2Na-H"	44.97116
"629948"	1173.42776	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+2Na-H"	44.97116
"1131831"	421.12336	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2Na-H"	44.97116
"173832"	399.141418	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+2Na"	45.978436
"618507"	587.217518	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+2Na"	45.978436
"1122014"	211.065318	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2Na"	45.978436
"1405537"	141.045970666667	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H+2Na"	46.985712
"1434372"	423.164946	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H+HCOOH"	47.012746
"225164"	404.17444	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+3H2O+2H"	56.04448
"1511037"	437.21699	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+IsoProp+H"	61.06479
"415103"	407.128388	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+Na+K"	61.952376
"772453"	595.204488	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+Na+K"	61.952376
"1670243"	219.052288	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Na+K"	61.952376
"252387"	816.320168	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+ACN+Na"	64.015768
"1226917"	440.167968	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+ACN+Na"	64.015768
"1714345"	440.191493	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+NH4+HCOOH"	64.039293
"1178924"	148.373284666667	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+3Na"	68.967654
"1650445"	445.146888	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Na+HCOOH"	68.994688
"158026"	829.22344	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+2K-H"	76.91904
"597593"	1205.37564	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+2K-H"	76.91904
"1084612"	453.07124	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2K-H"	76.91904
"152305"	415.115358	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"2M+2K"	77.926316
"596615"	603.191458	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"3M+2K"	77.926316
"1082948"	227.039258	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2K"	77.926316
"1115346"	455.085792	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2K+H"	78.933592
"1349870"	455.173407	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+DMSO+H"	79.021207
"1020457"	459.212576	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2ACN+H"	83.060376
"1537001"	460.206208	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+IsoProp+Na+H"	84.054008
"1001262"	230.109926	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+2ACN+2H"	84.067652
"1601602"	461.120828	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+K+HCOOH"	84.968628
"1425802"	491.152338	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+H+CF3COOH"	115.000138
"1159371"	250.623201	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+3ACN+2H"	125.094202
"1710750"	508.178885	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+NH4+CF3COOH"	132.026685
"1643480"	513.13428	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+Na+CF3COOH"	136.98208
"1584601"	529.10822	"C09448"	"Eupatundin"	"C20H24O7"	"376.1522"	"M+K+CF3COOH"	152.95602
"805125"	360.1573	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M"	0
"975375"	341.13891	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"78133"	239.097590666667	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"518216"	359.150024	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"893016"	119.045157333333	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"14958"	359.150024	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"453217"	539.228674	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"829692"	179.071374	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"91505"	719.307324	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"530701"	1079.464624	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"910201"	359.150024	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"59961"	736.333871	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"499523"	1096.491171	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"873678"	376.176571	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"43765"	741.289266	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"481137"	1101.446566	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"858939"	381.131966	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1632846"	381.131966	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"103906"	377.138363	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"543468"	557.217013	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"938079"	197.059713	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"281861"	755.284002	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"670150"	1115.441302	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1284740"	395.126702	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"29122"	757.263206	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"469415"	1117.420506	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"848152"	397.105906	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1571056"	397.105906	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"956397"	405.155494	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"376435"	765.312801	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"361256"	779.328451	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1508277"	419.171151	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"973997"	427.137451	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"115756"	395.126702	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"561878"	575.205352	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1025208"	215.048052	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1248066"	439.076185	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1306504"	441.132172	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1321568"	463.114129	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"921259"	473.142886	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1293596"	509.119564	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1368840"	325.144624	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1393628"	343.1546	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"293314"	721.321876	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"689016"	1081.479176	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1359899"	361.164576	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"131692"	361.164576	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"573441"	541.243226	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1041873"	181.085926	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"211240"	241.112142666667	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"650800"	361.164576	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1168926"	121.059709333333	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"429277"	738.348423	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"792097"	1098.505723	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1686245"	378.191123	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"335617"	369.6778495	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"726941"	549.7564995	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1477845"	189.5991995	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"393975"	743.303818	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"761533"	1103.461118	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1604404"	383.146518	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"316386"	372.155547	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"713182"	552.234197	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1467006"	192.076897	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1053323"	128.387023333333	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1260832"	393.190786	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"379406"	759.277758	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"739063"	1119.435058	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1540142"	399.120458	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"299629"	380.142517	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"692051"	560.221167	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1445746"	200.063867	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"235703"	762.348426	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1209988"	402.191126	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1194706"	201.599201	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"189281"	765.28576	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"629691"	1125.44306	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1131984"	405.12846	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"173571"	383.146518	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"615696"	563.225168	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1121754"	203.067868	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1402367"	135.714337333333	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1431682"	407.170046	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"222722"	388.17954	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1510781"	421.22209	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"416306"	391.133488	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"772928"	571.212138	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1670353"	211.054838	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"252982"	784.330368	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1228119"	424.173068	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1714456"	424.196593	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1179197"	143.041651333333	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1651528"	429.151988	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"158018"	797.23364	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"598186"	1157.39094	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1084640"	437.07634	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"153508"	399.120458	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"596111"	579.199108	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1083182"	219.041808	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1115050"	439.090892	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1350464"	439.178507	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1019959"	443.217676	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1536747"	444.211308	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"1000279"	222.112476	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1601229"	445.125928	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1427005"	475.157438	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1158388"	242.625751	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1710860"	492.183985	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1643590"	497.13938	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1584711"	513.11332	"C09449"	"Euponin"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"815078"	262.1205	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M"	0
"979862"	243.10211	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"78282"	173.739724	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"518359"	261.113224	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"894473"	86.366224	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"15357"	261.113224	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"453449"	392.173474	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"830166"	130.052974	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"90524"	523.233724	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"529720"	785.354224	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"908250"	261.113224	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"60924"	540.260271	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"495985"	802.380771	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"873790"	278.139771	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"44243"	545.215666	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"482345"	807.336166	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"860144"	283.095166	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1630770"	283.095166	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"104016"	279.101563	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"544672"	410.161813	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"940742"	148.041313	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"280032"	559.210402	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"673184"	821.330902	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1285943"	297.089902	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"30772"	561.189606	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"469893"	823.310106	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"847653"	299.069106	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1571142"	299.069106	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"958295"	307.118694	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"377017"	569.239201	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"361275"	583.254851	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1508174"	321.134351	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"973767"	329.100651	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"120241"	297.089902	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"565472"	428.150152	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1028599"	166.029652	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1244897"	341.039385	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1313909"	343.095372	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1327030"	365.077329	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"923561"	375.106086	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1296988"	411.082764	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1379890"	227.107824	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1394833"	245.1178	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"295614"	525.248276	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"686940"	787.368776	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1360008"	263.127776	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"136177"	263.127776	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"573551"	394.188026	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1042350"	132.067526	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"212444"	175.754276	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"649818"	263.127776	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1165755"	88.380776	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"428296"	542.274823	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"789293"	804.395323	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1684167"	280.154323	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"333540"	271.6410495	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"727420"	402.7012995	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1483062"	140.5807995	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"398460"	547.230218	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"757270"	809.350718	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1608649"	285.109718	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"318686"	274.118747	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"712201"	405.178997	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1463836"	143.058497	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1055987"	95.70809	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1258756"	295.153986	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"378056"	563.204158	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"738687"	825.324658	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1540051"	301.083658	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"298881"	282.105717	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"691637"	413.165967	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1447081"	151.045467	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"236046"	566.274826	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1210333"	304.154326	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1194291"	152.580801	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"188903"	569.21216	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"629115"	831.33266	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1131609"	307.09166	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"172923"	285.109718	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"615077"	416.169968	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1120043"	154.049468	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1402477"	103.035404	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1431671"	309.133246	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"225384"	290.14274	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1509799"	323.18529	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"417509"	293.096688	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"773038"	424.156938	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1670463"	162.036438	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"252241"	588.256768	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1227865"	326.136268	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1714442"	326.159793	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1179429"	110.362718	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1651269"	331.115188	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"158128"	601.16004	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"597483"	863.28054	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1084388"	339.03954	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"156862"	301.083658	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"595983"	432.143908	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1082318"	170.023408	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1114553"	341.054092	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1348753"	341.141707	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1020320"	345.180876	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1539171"	346.174508	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"1005135"	173.094076	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1600732"	347.089128	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1427115"	377.120638	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1162269"	193.607351	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1711697"	394.147185	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1648803"	399.10258	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1584821"	415.07652	"C09450"	"Farinosin"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"808627"	362.1729	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M"	0
"989819"	343.15451	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"76848"	240.441324	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"517628"	361.165624	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"894702"	119.717024	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"11821"	361.165624	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"452109"	542.252074	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"828089"	180.079174	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"91000"	723.338524	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"529466"	1085.511424	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"902164"	361.165624	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"62694"	740.365071	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"491720"	1102.537971	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"869522"	378.192171	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"43989"	745.320466	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"483548"	1107.493366	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"860254"	383.147566	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1627600"	383.147566	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"106315"	379.153963	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"546973"	560.240413	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"939760"	198.067513	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"279778"	759.315202	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"673658"	1121.488102	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1286793"	397.142302	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"30807"	761.294406	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"471097"	1123.467306	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"846830"	399.121506	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1568736"	399.121506	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"956982"	407.171094	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"371917"	769.344001	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"360417"	783.359651	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1508039"	421.186751	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"973930"	429.153051	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"122537"	397.142302	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"561004"	578.228752	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1026521"	216.055852	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1245007"	441.091785	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1311104"	443.147772	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1332614"	465.129729	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"922578"	475.158486	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1296006"	511.135164	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1373072"	327.160224	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1392756"	345.1702	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"291348"	725.353076	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"684863"	1087.525976	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1359024"	363.180176	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"130822"	363.180176	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"575127"	544.266626	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1046844"	182.093726	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"206723"	242.455876	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"645918"	363.180176	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1165868"	121.731576	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"426221"	742.379623	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"787948"	1104.552523	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1683186"	380.206723	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"330734"	371.6934495	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"727166"	552.7798995	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1479162"	190.6069995	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"398573"	747.335018	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"759568"	1109.507918	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1606573"	385.162118	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"314906"	374.171147	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"712311"	555.257597	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1461508"	193.084697	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1053303"	129.05889	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1257155"	395.206386	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"377437"	763.308958	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"738635"	1125.481858	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1540281"	401.136058	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"299362"	382.158117	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"691910"	563.244567	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1446010"	201.071667	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"239074"	766.379626	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1212512"	404.206726	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1194608"	202.607001	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"189384"	769.31696	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"628904"	1131.48986	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1132328"	407.14406	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"173794"	385.162118	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"614450"	566.248568	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1116379"	204.075668	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1399305"	136.386204	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1430691"	409.185646	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"220879"	390.19514	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1508598"	423.23769	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"409963"	393.149088	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"770957"	574.235538	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1665948"	212.062638	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"251535"	788.361568	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1226150"	426.188668	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1712849"	426.212193	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1178502"	143.713518	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1649952"	431.167588	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"157159"	801.26484	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"608021"	1163.43774	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1091441"	439.09194	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"155919"	401.136058	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"594274"	582.222508	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1081094"	220.049608	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1115390"	441.106492	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1350928"	441.194107	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1019214"	445.233276	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1537339"	446.226908	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"1005245"	223.120276	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1596104"	447.141528	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1425042"	477.173038	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1159705"	243.633551	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1711442"	494.199585	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1647096"	499.15498	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1584931"	515.12892	"C09451"	"Fastigilin B"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"805454"	360.1573	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M"	0
"989206"	341.13891	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"76959"	239.097590666667	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"518228"	359.150024	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"894692"	119.045157333333	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"13023"	359.150024	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"451492"	539.228674	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"829292"	179.071374	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"90014"	719.307324	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"530670"	1079.464624	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"902274"	359.150024	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"61870"	736.333871	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"494018"	1096.491171	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"868540"	376.176571	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"42641"	741.289266	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"484023"	1101.446566	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"859271"	381.131966	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1629897"	381.131966	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"103145"	377.138363	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"545262"	557.217013	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"939508"	197.059713	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"279525"	755.284002	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"675582"	1115.441302	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1288378"	395.126702	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"31327"	757.263206	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"471176"	1117.420506	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"846821"	397.105906	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1569574"	397.105906	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"956728"	405.155494	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"375308"	765.312801	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"359919"	779.328451	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1508023"	419.171151	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"971917"	427.137451	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"121553"	395.126702	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"561114"	575.205352	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1026631"	215.048052	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1246210"	439.076185	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1313036"	441.132172	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1333088"	463.114129	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"922324"	473.142886	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1293927"	509.119564	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1374276"	325.144624	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1394689"	343.1546	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"293281"	721.321876	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"685703"	1081.479176	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1359134"	361.164576	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"130932"	361.164576	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"573778"	541.243226	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1044766"	181.085926	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"205010"	241.112142666667	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"646757"	361.164576	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1164518"	121.059709333333	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"427058"	738.348423	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"789147"	1098.505723	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1683294"	378.191123	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"331695"	369.6778495	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"723873"	549.7564995	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1477811"	189.5991995	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"395403"	743.303818	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"759678"	1103.461118	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1605590"	383.146518	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"314477"	372.155547	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"707680"	552.234197	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1461529"	192.076897	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1053405"	128.387023333333	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1257310"	393.190786	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"377785"	759.277758	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"738781"	1119.435058	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1540349"	399.120458	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"298741"	380.142517	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"691811"	560.221167	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1446077"	200.063867	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"236383"	762.348426	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1211161"	402.191126	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1199055"	201.599201	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"194113"	765.28576	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"630028"	1125.44306	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1132557"	405.12846	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"174996"	383.146518	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"614924"	563.225168	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1116612"	203.067868	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1399292"	135.714337333333	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1430357"	407.170046	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"220139"	388.17954	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1509407"	421.22209	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"408979"	391.133488	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"770820"	571.212138	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1665649"	211.054838	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"251562"	784.330368	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1226008"	424.173068	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1713201"	424.196593	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1178946"	143.041651333333	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1650390"	429.151988	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"157618"	797.23364	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"607037"	1157.39094	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1093738"	437.07634	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"156037"	399.120458	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"595596"	579.199108	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1081932"	219.041808	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1115424"	439.090892	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1351034"	439.178507	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1020053"	443.217676	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1538788"	444.211308	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"1005478"	222.112476	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1597308"	445.125928	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1426246"	475.157438	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1160909"	242.625751	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1712281"	492.183985	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1647206"	497.13938	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1585041"	513.11332	"C09452"	"Fastigilin C"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"805564"	264.1362	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M"	0
"989434"	245.11781	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"76095"	175.083524	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"511282"	263.128924	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"894557"	87.038124	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"13864"	263.128924	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"453059"	395.197024	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"830492"	131.060824	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"89396"	527.265124	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"529684"	791.401324	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"908096"	263.128924	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"50196"	544.291671	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"493035"	808.427871	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"874118"	280.155471	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"43481"	549.247066	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"484741"	813.383266	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"861933"	285.110866	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1628914"	285.110866	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"103255"	281.117263	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"545737"	413.185363	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"940347"	149.049163	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"280363"	563.241802	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"674983"	827.378002	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1287631"	299.105602	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"31201"	565.221006	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"471123"	829.357206	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"848026"	301.084806	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1568595"	301.084806	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"956473"	309.134394	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"375540"	573.270601	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"360152"	587.286251	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1506555"	323.150051	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"972637"	331.116351	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"124702"	299.105602	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"560130"	431.173702	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1030022"	167.037502	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1245226"	343.055085	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1312053"	345.111072	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1330282"	367.093029	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"922070"	377.121786	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1295130"	413.098464	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1372198"	229.123524	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1385683"	247.1335	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"290474"	529.279676	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"683989"	793.415876	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1355962"	265.143476	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"133229"	265.143476	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"573888"	397.211576	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1044876"	133.075376	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"204877"	177.098076	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"645774"	265.143476	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1164020"	89.052676	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"428261"	546.306223	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"788892"	810.442423	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1683767"	282.170023	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"332044"	273.6567495	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"723979"	405.7248495	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1478407"	141.5886495	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"395513"	551.261618	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"759788"	815.397818	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1603511"	287.125418	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"315004"	276.134447	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"710344"	408.202547	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1462218"	144.066347	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1054128"	96.37999	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1257630"	297.169686	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"378140"	567.235558	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"739138"	831.371758	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1540180"	303.099358	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"299221"	284.121417	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"692737"	416.189517	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1447773"	152.053317	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"241482"	570.306226	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1211759"	306.170026	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1203540"	153.588651	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"192037"	573.24356	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"630137"	837.37976	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1134371"	309.10736	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"175473"	287.125418	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"614673"	419.193518	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1118182"	155.057318	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1399888"	103.707304	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1430550"	311.148946	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"222069"	292.15844	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1509760"	325.20099	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"409089"	295.112388	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"770565"	427.180488	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1666530"	163.044288	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"252199"	592.288168	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1226203"	328.151968	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1714279"	328.175493	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1178777"	111.034618	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1650781"	333.130888	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"157604"	605.19144	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"606054"	869.32764	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1090565"	341.05524	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"155781"	303.099358	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"594250"	435.167458	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1081312"	171.031258	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1115005"	343.069792	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1349807"	343.157407	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1019919"	347.196576	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1538168"	348.190208	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1004371"	174.101926	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1597417"	349.104828	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1426357"	379.136338	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1159925"	194.615201	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1709475"	396.162885	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1647315"	401.11828	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1585151"	417.09222	"C09453"	"Florilenalin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"812235"	232.1463	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M"	0
"989634"	213.12791	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"77300"	153.756924	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"518290"	231.139024	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"895238"	76.374824	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"15068"	231.139024	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"454870"	347.212174	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"831693"	115.065874	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"91572"	463.285324	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"531616"	695.431624	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"907596"	231.139024	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"57959"	480.311871	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"490958"	712.458171	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"870947"	248.165571	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"42128"	485.267266	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"480595"	717.413566	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"861676"	253.120966	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1631581"	253.120966	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"102272"	249.127363	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"545848"	365.200513	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"942652"	133.054213	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"282303"	499.262002	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"675342"	731.408302	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1288105"	267.115702	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"31110"	501.241206	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"471074"	733.387506	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"848024"	269.094906	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1570041"	269.094906	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"956949"	277.144494	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"375892"	509.290801	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"360143"	523.306451	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1507515"	291.160151	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"972140"	299.126451	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"122867"	267.115702	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"561333"	383.188852	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1026852"	151.042552	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1247523"	311.065185	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1315810"	313.121172	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1332945"	335.103129	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"921086"	345.131886	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1295242"	381.108564	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1375590"	197.133624	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1389805"	215.1436	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"290584"	465.299876	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"683738"	697.446176	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1357169"	233.153576	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"133340"	233.153576	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"573634"	349.226726	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1045715"	117.080426	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"206325"	155.771476	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"646979"	233.153576	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1166198"	78.389376	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"428374"	482.326423	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"789369"	714.472723	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1683512"	250.180123	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"332152"	241.6668495	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"723967"	357.7399995	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1478516"	125.5936995	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"397810"	487.281818	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"755889"	719.428118	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1606902"	255.135518	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"318032"	244.144547	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"711549"	360.217697	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1462209"	128.071397	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1054968"	85.71669	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1260292"	265.179786	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"377529"	503.255758	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"741685"	735.402058	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1545195"	271.109458	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"303830"	252.131517	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"696979"	368.204667	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1447524"	136.058367	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"238678"	506.326426	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1210655"	274.180126	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1201465"	137.593701	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"192514"	509.26376	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"632803"	741.41006	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1133511"	277.11746	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"175344"	255.135518	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"615873"	371.208668	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1120120"	139.062368	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1398784"	93.044004	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1432120"	279.159046	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"225829"	260.16854	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1509021"	293.21109	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"408680"	263.122488	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"773112"	379.195638	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1667257"	147.049338	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"251586"	528.308368	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1226241"	296.162068	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1713909"	296.185593	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1179747"	100.371318	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1650250"	301.140988	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"157720"	541.21164	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"607257"	773.35794	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1095051"	309.06534	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"156250"	271.109458	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"595207"	387.182608	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1082391"	155.036308	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1114381"	311.079892	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1349673"	311.167507	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1017968"	315.206676	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1538034"	316.200308	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"1005088"	158.106976	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1598619"	317.114928	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1426103"	347.146438	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1158941"	178.620251	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1709585"	364.172985	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1645239"	369.12838	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1585261"	385.10232	"C09454"	"Frullanolide"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"802868"	306.1467	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M"	0
"988072"	287.12831	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"67568"	203.090524	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"515877"	305.139424	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"892585"	101.041624	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"14443"	305.139424	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"453278"	458.212774	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"830353"	152.066074	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"89614"	611.286124	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"528811"	917.432824	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"908435"	305.139424	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"58065"	628.312671	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"488757"	934.459371	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"868870"	322.165971	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"41146"	633.268066	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"484716"	939.414766	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"860694"	327.121366	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1624759"	327.121366	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"102382"	323.127763	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"547051"	476.201113	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"941908"	170.054413	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"282493"	647.262802	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"674967"	953.409502	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1287367"	341.116102	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"30612"	649.242006	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"470335"	955.388706	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"847649"	343.095306	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1570636"	343.095306	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"957421"	351.144894	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"373814"	657.291601	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"360128"	671.307251	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1507624"	365.160551	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"972615"	373.126851	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"122614"	341.116102	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"563995"	494.189452	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1029151"	188.042752	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1249820"	385.065585	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1317016"	387.121572	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1333055"	409.103529	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"919739"	419.132286	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1297541"	455.108964	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1376796"	271.134024	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1389918"	289.144	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"291791"	613.300676	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"683119"	919.447376	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1358374"	307.153976	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"133450"	307.153976	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"575933"	460.227326	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1039991"	154.080626	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"210809"	205.105076	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"653650"	307.153976	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1166307"	103.056176	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"425206"	630.327223	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"790576"	936.473923	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1683989"	324.180523	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"331902"	315.6672495	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"726513"	468.7405995	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1479237"	162.5938995	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"394642"	635.282618	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"754906"	941.429318	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1603734"	329.135918	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"318146"	318.144947	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"707893"	471.218297	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1466577"	165.071597	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1054354"	110.38349	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1258340"	339.180186	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"378614"	651.256558	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"741795"	957.403258	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1543485"	345.109858	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"304669"	326.131917	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"695273"	479.205267	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1450185"	173.058567	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"240610"	654.327226	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1214412"	348.180526	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1195378"	174.593901	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"196633"	657.26456	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"631449"	963.41126	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1134346"	351.11786	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"174726"	329.135918	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"615497"	482.209268	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1117920"	176.062568	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1400117"	117.710804	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1430162"	353.159446	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"224846"	334.16894	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1510354"	367.21149	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"411499"	337.122888	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"769949"	490.196238	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1667734"	184.049538	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"251576"	676.309168	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1226108"	370.162468	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1713779"	370.185993	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1180471"	125.038118	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1651823"	375.141388	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"157467"	689.21244	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"605180"	995.35914	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1096253"	383.06574	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"156483"	345.109858	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"596045"	498.183208	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1083955"	192.036508	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1114134"	385.080292	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1348572"	385.167907	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1018559"	389.207076	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1537778"	390.200708	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"1005197"	195.107176	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1597636"	391.115328	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1422202"	421.146838	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1159052"	215.620451	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1708604"	438.173385	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1647535"	443.12878	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1585371"	459.10272	"C09455"	"Gaillardin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"802614"	264.1362	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M"	0
"974561"	245.11781	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"66948"	175.083524	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"515987"	263.128924	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"890508"	87.038124	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"12366"	263.128924	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"454723"	395.197024	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"831189"	131.060824	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"92275"	527.265124	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"530377"	791.401324	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"904898"	263.128924	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"51615"	544.291671	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"487652"	808.427871	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"868980"	280.155471	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"39069"	549.247066	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"480817"	813.383266	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"855337"	285.110866	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1624869"	285.110866	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"97025"	281.117263	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"546429"	413.185363	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"942423"	149.049163	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"281055"	563.241802	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"675602"	827.378002	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1288421"	299.105602	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"31236"	565.221006	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"471205"	829.357206	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"848192"	301.084806	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1570014"	301.084806	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"957531"	309.134394	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"375261"	573.270601	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"357807"	587.286251	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1505544"	323.150051	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"968713"	331.116351	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"121993"	299.105602	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"561553"	431.173702	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1028168"	167.037502	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1245557"	343.055085	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1316759"	345.111072	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1332801"	367.093029	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"915110"	377.121786	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1293274"	413.098464	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1370344"	229.123524	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1384558"	247.1335	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"284609"	529.279676	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"677395"	793.415876	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1354475"	265.143476	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"130281"	265.143476	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"570938"	397.211576	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1037670"	133.075376	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"207639"	177.098076	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"647200"	265.143476	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1166416"	89.052676	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"427502"	546.306223	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"788499"	810.442423	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1683369"	282.170023	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"332740"	273.6567495	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"725894"	405.7248495	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1480442"	141.5886495	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"392969"	551.261618	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"755379"	815.397818	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1604936"	287.125418	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"317162"	276.134447	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"708491"	408.202547	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1467782"	144.066347	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1057747"	96.37999	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1260514"	297.169686	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"377995"	567.235558	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"742271"	831.371758	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1544323"	303.099358	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"304780"	284.121417	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"692464"	416.189517	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1448108"	152.053317	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"240719"	570.306226	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1211239"	306.170026	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1203872"	153.588651	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"194555"	573.24356	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"635209"	837.37976	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1133605"	309.10736	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"175438"	287.125418	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"614278"	419.193518	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1116691"	155.057318	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1399130"	103.707304	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1430272"	311.148946	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"222769"	292.15844	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1509005"	325.20099	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"410152"	295.112388	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"770659"	427.180488	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1668937"	163.044288	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"251644"	592.288168	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1227799"	328.151968	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1713767"	328.175493	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1178634"	111.034618	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1652663"	333.130888	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"158064"	605.19144	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"600917"	869.32764	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1089804"	341.05524	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"155132"	303.099358	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"596880"	435.167458	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1083864"	171.031258	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1113751"	343.069792	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1349043"	343.157407	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1017575"	347.196576	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1538619"	348.190208	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1002879"	174.101926	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1598840"	349.104828	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1422312"	379.136338	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1159162"	194.615201	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1707621"	396.162885	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1648738"	401.11828	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1585481"	417.09222	"C09456"	"Geigerin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"802724"	297.1365	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M"	0
"975159"	278.11811	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-H2O-H"	-19.01839
"63414"	197.083724	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M-3H"	-3.021828
"516097"	296.129224	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M-3H"	-3.021828
"889525"	98.038224	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-3H"	-3.021828
"11383"	296.129224	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M-2H"	-2.014552
"454226"	444.697474	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M-2H"	-2.014552
"827652"	147.560974	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-2H"	-2.014552
"90925"	593.265724	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M-H"	-1.007276
"528298"	890.402224	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M-H"	-1.007276
"905007"	296.129224	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-H"	-1.007276
"47959"	610.292271	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M-2H+NH4"	16.019271
"487762"	907.428771	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M-2H+NH4"	16.019271
"869091"	313.155771	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-2H+NH4"	16.019271
"40273"	615.247666	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M-2H+Na"	20.974666
"478740"	912.384166	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M-2H+Na"	20.974666
"855447"	318.111166	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-2H+Na"	20.974666
"1626072"	318.111166	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Na-2H"	20.974666
"97135"	314.117563	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M-H+Cl"	33.962126
"546175"	462.685813	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M-H+Cl"	33.962126
"942722"	165.549313	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-H+Cl"	33.962126
"282381"	629.242402	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+Cl"	34.969402
"675583"	926.378902	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+Cl"	34.969402
"1287943"	332.105902	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Cl"	34.969402
"29646"	631.221606	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M-2H+K"	36.948606
"471067"	928.358106	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M-2H+K"	36.948606
"848398"	334.085106	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-2H+K"	36.948606
"1566843"	334.085106	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+K-2H"	36.948606
"953632"	342.134694	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-H+HCOOH"	44.998194
"369660"	639.271201	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+HCOOH-H"	44.998201
"354637"	653.286851	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+Hac-H"	59.013851
"1499093"	356.150351	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Hac-H"	59.013851
"965541"	364.116651	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-H+NaCOOH"	66.980151
"113354"	332.105902	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+2Cl"	69.938804
"552913"	480.674152	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+2Cl"	69.938804
"1027185"	183.537652	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2Cl"	69.938804
"1244574"	376.055385	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Br"	78.918885
"1316506"	378.111372	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Cl+HCOOH"	80.974872
"1334734"	400.093329	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Cl+NaCOOH"	102.956829
"917772"	410.122086	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M-H+CF3COOH"	112.985586
"1293384"	446.098764	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Cl+CF3COOH"	148.962264
"1369359"	262.123824	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H-2H2O"	-35.012676
"1386856"	280.1338	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H-H2O"	-17.0027
"287638"	595.280276	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+H"	1.007276
"682245"	892.416776	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+H"	1.007276
"1356407"	298.143776	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H"	1.007276
"130391"	298.143776	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+2H"	2.014552
"571048"	446.712026	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+2H"	2.014552
"1038628"	149.575526	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2H"	2.014552
"207749"	199.098276	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+3H"	3.021828
"650590"	298.143776	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+3H"	3.021828
"1164339"	100.052776	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+3H"	3.021828
"425546"	612.306823	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+NH4"	18.033823
"791889"	909.443323	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+NH4"	18.033823
"1684937"	315.170323	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+NH4"	18.033823
"333944"	306.6570495	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+H+NH4"	19.041099
"724909"	455.2252995	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+H+NH4"	19.041099
"1481279"	158.0887995	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H+NH4"	19.041099
"394862"	617.262218	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+Na"	22.989218
"756946"	914.398718	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+Na"	22.989218
"1609419"	320.125718	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Na"	22.989218
"319458"	309.134747	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+H+Na"	23.996494
"709694"	457.702997	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+H+Na"	23.996494
"1467892"	160.566497	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H+Na"	23.996494
"1058950"	107.38009	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2H+Na"	25.00377
"1260624"	330.169986	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+CH3OH+H"	33.033486
"379198"	633.236158	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+K"	38.963158
"743474"	930.372658	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+K"	38.963158
"1543705"	336.099658	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+K"	38.963158
"303798"	317.121717	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+H+K"	39.970434
"693669"	465.689967	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+H+K"	39.970434
"1450041"	168.553467	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H+K"	39.970434
"241923"	636.306826	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+ACN+H"	42.033826
"1213902"	339.170326	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+ACN+H"	42.033826
"1198880"	170.088801	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+ACN+2H"	43.041102
"195760"	639.24416	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+2Na-H"	44.97116
"635320"	936.38066	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+2Na-H"	44.97116
"1134445"	342.10766	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2Na-H"	44.97116
"175182"	320.125718	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+2Na"	45.978436
"614387"	468.693968	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+2Na"	45.978436
"1117528"	171.557468	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2Na"	45.978436
"1398793"	114.707404	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H+2Na"	46.985712
"1429907"	344.149246	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H+HCOOH"	47.012746
"220171"	325.15874	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+3H2O+2H"	56.04448
"1509837"	358.20129	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+IsoProp+H"	61.06479
"409655"	328.112688	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+Na+K"	61.952376
"769994"	476.680938	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+Na+K"	61.952376
"1666861"	179.544438	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Na+K"	61.952376
"251919"	658.288768	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+ACN+Na"	64.015768
"1226084"	361.152268	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+ACN+Na"	64.015768
"1714242"	361.175793	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+NH4+HCOOH"	64.039293
"1179234"	122.034718	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+3Na"	68.967654
"1650586"	366.131188	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Na+HCOOH"	68.994688
"157197"	671.19204	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+2K-H"	76.91904
"602120"	968.32854	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+2K-H"	76.91904
"1089914"	374.05554	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2K-H"	76.91904
"156904"	336.099658	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"2M+2K"	77.926316
"595043"	484.667908	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"3M+2K"	77.926316
"1083203"	187.531408	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2K"	77.926316
"1112767"	376.070092	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2K+H"	78.933592
"1346966"	376.157707	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+DMSO+H"	79.021207
"1016591"	380.196876	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2ACN+H"	83.060376
"1538364"	381.190508	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+IsoProp+Na+H"	84.054008
"1005053"	190.602076	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+2ACN+2H"	84.067652
"1597856"	382.105128	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+K+HCOOH"	84.968628
"1423515"	412.136638	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+H+CF3COOH"	115.000138
"1158178"	211.115351	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+3ACN+2H"	125.094202
"1708824"	429.163185	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+NH4+CF3COOH"	132.026685
"1648848"	434.11858	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+Na+CF3COOH"	136.98208
"1585591"	450.09252	"C09457"	"Glaziovine"	"C18H19NO3"	"297.1365"	"M+K+CF3COOH"	152.95602
"806114"	608.2886	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M"	0
"977458"	589.27021	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-H2O-H"	-19.01839
"66804"	404.518457333333	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M-3H"	-3.021828
"512927"	607.281324	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M-3H"	-3.021828
"889635"	201.755590666667	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-3H"	-3.021828
"14045"	607.281324	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M-2H"	-2.014552
"453242"	911.425624	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M-2H"	-2.014552
"829949"	303.137024	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-2H"	-2.014552
"89942"	1215.569924	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M-H"	-1.007276
"526221"	1823.858524	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M-H"	-1.007276
"905846"	607.281324	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-H"	-1.007276
"51108"	1232.596471	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M-2H+NH4"	16.019271
"492491"	1840.885071	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M-2H+NH4"	16.019271
"865187"	624.307871	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-2H+NH4"	16.019271
"41476"	1237.551866	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M-2H+Na"	20.974666
"482130"	1845.840466	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M-2H+Na"	20.974666
"851183"	629.263266	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-2H+Na"	20.974666
"1627275"	629.263266	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Na-2H"	20.974666
"104900"	625.269663	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M-H+Cl"	33.962126
"545921"	929.413963	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M-H+Cl"	33.962126
"941993"	321.125363	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-H+Cl"	33.962126
"282457"	1251.546602	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+Cl"	34.969402
"675290"	1859.835202	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+Cl"	34.969402
"1288175"	643.258002	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Cl"	34.969402
"30244"	1253.525806	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M-2H+K"	36.948606
"470413"	1861.814406	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M-2H+K"	36.948606
"847483"	645.237206	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-2H+K"	36.948606
"1568048"	645.237206	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+K-2H"	36.948606
"957997"	653.286794	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-H+HCOOH"	44.998194
"374144"	1261.575401	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+HCOOH-H"	44.998201
"355841"	1275.591051	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+Hac-H"	59.013851
"1507591"	667.302451	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Hac-H"	59.013851
"971119"	675.268751	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-H+NaCOOH"	66.980151
"125129"	643.258002	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+2Cl"	69.938804
"562866"	947.402302	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+2Cl"	69.938804
"1028751"	339.113702	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2Cl"	69.938804
"1249059"	687.207485	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Br"	78.918885
"1314791"	689.263472	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Cl+HCOOH"	80.974872
"1327916"	711.245429	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Cl+NaCOOH"	102.956829
"921162"	721.274186	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M-H+CF3COOH"	112.985586
"1300788"	757.250864	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Cl+CF3COOH"	148.962264
"1376032"	573.275924	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H-2H2O"	-35.012676
"1391343"	591.2859	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H-H2O"	-17.0027
"289935"	1217.584476	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+H"	1.007276
"687460"	1825.873076	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+H"	1.007276
"1359800"	609.295876	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H"	1.007276
"137062"	609.295876	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+2H"	2.014552
"576261"	913.440176	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+2H"	2.014552
"1038013"	305.151576	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2H"	2.014552
"207859"	406.533009333333	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+3H"	3.021828
"647420"	609.295876	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+3H"	3.021828
"1166636"	203.770142666667	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+3H"	3.021828
"427722"	1234.611023	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+NH4"	18.033823
"794186"	1842.899623	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+NH4"	18.033823
"1686142"	626.322423	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+NH4"	18.033823
"334420"	617.8091495	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+H+NH4"	19.041099
"729029"	921.9534495	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+H+NH4"	19.041099
"1483941"	313.6648495	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H+NH4"	19.041099
"403720"	1239.566418	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+Na"	22.989218
"757060"	1847.855018	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+Na"	22.989218
"1607346"	631.277818	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Na"	22.989218
"316288"	620.286847	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+H+Na"	23.996494
"710896"	924.431147	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+H+Na"	23.996494
"1473470"	316.142547	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H+Na"	23.996494
"1065620"	211.097456666667	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2H+Na"	25.00377
"1260010"	641.322086	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+CH3OH+H"	33.033486
"380771"	1255.540358	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+K"	38.963158
"742494"	1863.828958	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+K"	38.963158
"1544545"	647.251758	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+K"	38.963158
"302816"	628.273817	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+H+K"	39.970434
"695238"	932.418117	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+H+K"	39.970434
"1448693"	324.129517	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H+K"	39.970434
"242033"	1258.611026	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+ACN+H"	42.033826
"1214013"	650.322426	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+ACN+H"	42.033826
"1198625"	325.664851	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+ACN+2H"	43.041102
"195870"	1261.54836	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+2Na-H"	44.97116
"635430"	1869.83696	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+2Na-H"	44.97116
"1134194"	653.25976	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2Na-H"	44.97116
"175056"	631.277818	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+2Na"	45.978436
"615590"	935.422118	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+2Na"	45.978436
"1117035"	327.133518	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2Na"	45.978436
"1398865"	218.424770666667	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H+2Na"	46.985712
"1430086"	655.301346	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H+HCOOH"	47.012746
"220678"	636.31084	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+3H2O+2H"	56.04448
"1508545"	669.35339	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+H"	61.06479
"412924"	639.264788	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+Na+K"	61.952376
"771733"	943.409088	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+Na+K"	61.952376
"1671345"	335.120488	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Na+K"	61.952376
"251662"	1280.592968	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+ACN+Na"	64.015768
"1227289"	672.304368	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+ACN+Na"	64.015768
"1718363"	672.327893	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+NH4+HCOOH"	64.039293
"1182623"	225.752084666667	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+3Na"	68.967654
"1653612"	677.283288	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Na+HCOOH"	68.994688
"161567"	1293.49624	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+2K-H"	76.91904
"598938"	1901.78484	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+2K-H"	76.91904
"1091117"	685.20764	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2K-H"	76.91904
"155592"	647.251758	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"2M+2K"	77.926316
"592966"	951.396058	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"3M+2K"	77.926316
"1080760"	343.107458	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2K"	77.926316
"1107410"	687.222192	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2K+H"	78.933592
"1345985"	687.309807	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+DMSO+H"	79.021207
"1012327"	691.348976	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2ACN+H"	83.060376
"1536649"	692.342608	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+Na+H"	84.054008
"1003099"	346.178126	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+2ACN+2H"	84.067652
"1595779"	693.257228	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+K+HCOOH"	84.968628
"1422531"	723.288738	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+H+CF3COOH"	115.000138
"1152821"	366.691401	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+3ACN+2H"	125.094202
"1707841"	740.315285	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+NH4+CF3COOH"	132.026685
"1649324"	745.27068	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+Na+CF3COOH"	136.98208
"1585701"	761.24462	"C09458"	"Gyrocarpine"	"C37H40N2O6"	"608.2886"	"M+K+CF3COOH"	152.95602
"804037"	373.1889	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M"	0
"974650"	354.17051	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-H2O-H"	-19.01839
"76753"	247.785324	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M-3H"	-3.021828
"511944"	372.181624	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M-3H"	-3.021828
"888652"	123.389024	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-3H"	-3.021828
"6136"	372.181624	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M-2H"	-2.014552
"448977"	558.776074	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M-2H"	-2.014552
"826778"	185.587174	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-2H"	-2.014552
"82761"	745.370524	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M-H"	-1.007276
"521956"	1118.559424	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M-H"	-1.007276
"897936"	372.181624	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-H"	-1.007276
"49758"	762.397071	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M-2H+NH4"	16.019271
"490412"	1135.585971	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M-2H+NH4"	16.019271
"870402"	389.208171	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-2H+NH4"	16.019271
"36116"	767.352466	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M-2H+Na"	20.974666
"481145"	1140.541366	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M-2H+Na"	20.974666
"855665"	394.163566	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-2H+Na"	20.974666
"1623010"	394.163566	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Na-2H"	20.974666
"105010"	390.169963	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M-H+Cl"	33.962126
"544570"	576.764413	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M-H+Cl"	33.962126
"941496"	203.575513	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-H+Cl"	33.962126
"281267"	781.347202	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+Cl"	34.969402
"675154"	1154.536102	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+Cl"	34.969402
"1287670"	408.158302	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Cl"	34.969402
"29859"	783.326406	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M-2H+K"	36.948606
"471208"	1156.515306	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M-2H+K"	36.948606
"845035"	410.137506	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-2H+K"	36.948606
"1567429"	410.137506	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+K-2H"	36.948606
"953851"	418.187094	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-H+HCOOH"	44.998194
"374983"	791.376001	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+HCOOH-H"	44.998201
"353764"	805.391651	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+Hac-H"	59.013851
"1505148"	432.202751	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Hac-H"	59.013851
"970135"	440.169051	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-H+NaCOOH"	66.980151
"124511"	408.158302	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+2Cl"	69.938804
"563344"	594.752752	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+2Cl"	69.938804
"1028498"	221.563852	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2Cl"	69.938804
"1248075"	452.107785	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Br"	78.918885
"1314901"	454.163772	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Cl+HCOOH"	80.974872
"1325837"	476.145729	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Cl+NaCOOH"	102.956829
"923458"	486.174486	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M-H+CF3COOH"	112.985586
"1300534"	522.151164	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Cl+CF3COOH"	148.962264
"1376141"	338.176224	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H-2H2O"	-35.012676
"1391451"	356.1862	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H-H2O"	-17.0027
"292959"	747.385076	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+H"	1.007276
"683560"	1120.573976	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+H"	1.007276
"1363189"	374.196176	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H"	1.007276
"138265"	374.196176	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+2H"	2.014552
"572361"	560.790626	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+2H"	2.014552
"1043349"	187.601726	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2H"	2.014552
"206875"	249.799876	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+3H"	3.021828
"649716"	374.196176	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+3H"	3.021828
"1166746"	125.403576	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+3H"	3.021828
"428925"	764.411623	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+NH4"	18.033823
"793203"	1137.600523	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+NH4"	18.033823
"1686252"	391.222723	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+NH4"	18.033823
"334529"	382.7094495	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+H+NH4"	19.041099
"727314"	569.3038995	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+H+NH4"	19.041099
"1484051"	196.1149995	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H+NH4"	19.041099
"399447"	769.367018	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+Na"	22.989218
"760450"	1142.555918	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+Na"	22.989218
"1609642"	396.178118	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Na"	22.989218
"317492"	385.187147	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+H+Na"	23.996494
"711006"	571.781597	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+H+Na"	23.996494
"1473578"	198.592697	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H+Na"	23.996494
"1065730"	132.73089	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2H+Na"	25.00377
"1264127"	406.222386	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+CH3OH+H"	33.033486
"383797"	785.340958	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+K"	38.963158
"745883"	1158.529858	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+K"	38.963158
"1545019"	412.152058	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+K"	38.963158
"306205"	393.174117	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+H+K"	39.970434
"697534"	579.768567	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+H+K"	39.970434
"1452448"	206.579667	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H+K"	39.970434
"244330"	788.411626	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+ACN+H"	42.033826
"1217039"	415.222726	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+ACN+H"	42.033826
"1199829"	208.115001	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+ACN+2H"	43.041102
"199260"	791.34896	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+2Na-H"	44.97116
"637727"	1164.53786	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+2Na-H"	44.97116
"1137952"	418.16006	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2Na-H"	44.97116
"176139"	396.178118	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+2Na"	45.978436
"614974"	582.772568	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+2Na"	45.978436
"1118236"	209.583668	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2Na"	45.978436
"1401285"	140.058204	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H+2Na"	46.985712
"1430725"	420.201646	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H+HCOOH"	47.012746
"220666"	401.21114	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+3H2O+2H"	56.04448
"1508726"	434.25369	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+IsoProp+H"	61.06479
"414127"	404.165088	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+Na+K"	61.952376
"772936"	590.759538	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+Na+K"	61.952376
"1671455"	217.570638	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Na+K"	61.952376
"253962"	810.393568	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+ACN+Na"	64.015768
"1227762"	437.204668	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+ACN+Na"	64.015768
"1720658"	437.228193	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+NH4+HCOOH"	64.039293
"1182734"	147.385518	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+3Na"	68.967654
"1652992"	442.183588	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Na+HCOOH"	68.994688
"162041"	823.29684	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+2K-H"	76.91904
"601598"	1196.48574	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+2K-H"	76.91904
"1091227"	450.10794	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2K-H"	76.91904
"154607"	412.152058	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"2M+2K"	77.926316
"590887"	598.746508	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"3M+2K"	77.926316
"1077587"	225.557608	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2K"	77.926316
"1107513"	452.122492	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2K+H"	78.933592
"1348275"	452.210107	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+DMSO+H"	79.021207
"1016811"	456.249276	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2ACN+H"	83.060376
"1536030"	457.242908	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+IsoProp+Na+H"	84.054008
"1002478"	228.628276	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+2ACN+2H"	84.067652
"1596983"	458.157528	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+K+HCOOH"	84.968628
"1421548"	488.189038	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+H+CF3COOH"	115.000138
"1151838"	249.141551	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+3ACN+2H"	125.094202
"1707950"	505.215585	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+NH4+CF3COOH"	132.026685
"1647976"	510.17098	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+Na+CF3COOH"	136.98208
"1585811"	526.14492	"C09459"	"Hasubanonine"	"C21H27NO5"	"373.1889"	"M+K+CF3COOH"	152.95602
"806335"	193.1103	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M"	0
"979867"	174.09191	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-H2O-H"	-19.01839
"76863"	127.732924	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M-3H"	-3.021828
"512054"	192.103024	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M-3H"	-3.021828
"890947"	63.362824	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-3H"	-3.021828
"5152"	192.103024	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M-2H"	-2.014552
"445806"	288.658174	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M-2H"	-2.014552
"826888"	95.547874	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-2H"	-2.014552
"82871"	385.213324	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M-H"	-1.007276
"520973"	578.323624	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M-H"	-1.007276
"900233"	192.103024	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-H"	-1.007276
"50234"	402.239871	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M-2H+NH4"	16.019271
"490522"	595.350171	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M-2H+NH4"	16.019271
"870512"	209.129571	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-2H+NH4"	16.019271
"33188"	407.195266	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M-2H+Na"	20.974666
"482348"	600.305566	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M-2H+Na"	20.974666
"857961"	214.084966	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-2H+Na"	20.974666
"1627495"	214.084966	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Na-2H"	20.974666
"102932"	210.091363	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M-H+Cl"	33.962126
"541401"	306.646513	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M-H+Cl"	33.962126
"942579"	113.536213	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-H+Cl"	33.962126
"282594"	421.190002	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+Cl"	34.969402
"675344"	614.300302	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+Cl"	34.969402
"1288268"	228.079702	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Cl"	34.969402
"31307"	423.169206	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M-2H+K"	36.948606
"469530"	616.279506	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M-2H+K"	36.948606
"848021"	230.058906	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-2H+K"	36.948606
"1567903"	230.058906	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+K-2H"	36.948606
"955786"	238.108494	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-H+HCOOH"	44.998194
"376069"	431.218801	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+HCOOH-H"	44.998201
"358249"	445.234451	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+Hac-H"	59.013851
"1504531"	252.124151	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Hac-H"	59.013851
"968060"	260.090451	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-H+NaCOOH"	66.980151
"124627"	228.079702	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+2Cl"	69.938804
"563086"	324.634852	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+2Cl"	69.938804
"1027515"	131.524552	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2Cl"	69.938804
"1253656"	272.029185	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Br"	78.918885
"1317201"	274.085172	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Cl+HCOOH"	80.974872
"1332512"	296.067129	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Cl+NaCOOH"	102.956829
"921380"	306.095886	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M-H+CF3COOH"	112.985586
"1301008"	342.072564	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Cl+CF3COOH"	148.962264
"1378438"	158.097624	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H-2H2O"	-35.012676
"1394477"	176.1076	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H-H2O"	-17.0027
"293435"	387.227876	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+H"	1.007276
"690233"	580.338176	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+H"	1.007276
"1363300"	194.117576	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H"	1.007276
"136553"	194.117576	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+2H"	2.014552
"572472"	290.672726	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+2H"	2.014552
"1042366"	97.562426	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2H"	2.014552
"209172"	129.747476	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+3H"	3.021828
"654201"	194.117576	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+3H"	3.021828
"1173054"	65.377376	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+3H"	3.021828
"429035"	404.254423	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+NH4"	18.033823
"791126"	597.364723	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+NH4"	18.033823
"1688551"	211.144123	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+NH4"	18.033823
"333183"	202.6308495	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+H+NH4"	19.041099
"730342"	299.1859995	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+H+NH4"	19.041099
"1479787"	106.0756995	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H+NH4"	19.041099
"396281"	409.209818	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+Na"	22.989218
"759466"	602.320118	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+Na"	22.989218
"1605377"	216.099518	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Na"	22.989218
"317600"	205.108547	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+H+Na"	23.996494
"710023"	301.663697	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+H+Na"	23.996494
"1469313"	108.553397	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H+Na"	23.996494
"1060372"	72.70469	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2H+Na"	25.00377
"1260955"	226.143786	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+CH3OH+H"	33.033486
"381717"	425.183758	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+K"	38.963158
"741618"	618.294058	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+K"	38.963158
"1549140"	232.073458	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+K"	38.963158
"304129"	213.095517	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+H+K"	39.970434
"697644"	309.650667	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+H+K"	39.970434
"1450372"	116.540367	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H+K"	39.970434
"241159"	428.254426	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+ACN+H"	42.033826
"1218242"	235.144126	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+ACN+H"	42.033826
"1197022"	118.075701	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+ACN+2H"	43.041102
"190257"	431.19176	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+2Na-H"	44.97116
"631641"	624.30206	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+2Na-H"	44.97116
"1134783"	238.08146	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2Na-H"	44.97116
"175885"	216.099518	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+2Na"	45.978436
"615080"	312.654668	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+2Na"	45.978436
"1117007"	119.544368	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2Na"	45.978436
"1403582"	80.032004	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H+2Na"	46.985712
"1435697"	240.123046	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H+HCOOH"	47.012746
"221138"	221.13254	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+3H2O+2H"	56.04448
"1509447"	254.17509	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+IsoProp+H"	61.06479
"414237"	224.086488	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+Na+K"	61.952376
"775231"	320.641638	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+Na+K"	61.952376
"1672658"	127.531338	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Na+K"	61.952376
"256259"	450.236368	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+ACN+Na"	64.015768
"1228237"	257.126068	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+ACN+Na"	64.015768
"1720770"	257.149593	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+NH4+HCOOH"	64.039293
"1183937"	87.359318	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+3Na"	68.967654
"1658206"	262.104988	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Na+HCOOH"	68.994688
"162879"	463.13964	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+2K-H"	76.91904
"603533"	656.24994	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+2K-H"	76.91904
"1091337"	270.02934	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2K-H"	76.91904
"154717"	232.073458	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"2M+2K"	77.926316
"590997"	328.628608	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"3M+2K"	77.926316
"1075511"	135.518308	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2K"	77.926316
"1109811"	272.043892	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2K+H"	78.933592
"1342917"	272.131507	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+DMSO+H"	79.021207
"1015828"	276.170676	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2ACN+H"	83.060376
"1536141"	277.164308	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+IsoProp+Na+H"	84.054008
"999308"	138.588976	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+2ACN+2H"	84.067652
"1598187"	278.078928	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+K+HCOOH"	84.968628
"1421658"	308.110438	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+H+CF3COOH"	115.000138
"1158507"	159.102251	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+3ACN+2H"	125.094202
"1704779"	325.136985	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+NH4+CF3COOH"	132.026685
"1646990"	330.09238	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+Na+CF3COOH"	136.98208
"1585921"	346.06632	"C09460"	"Heliamine"	"C11H15NO2"	"193.1103"	"M+K+CF3COOH"	152.95602
"803164"	652.3149	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M"	0
"974228"	633.29651	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-H2O-H"	-19.01839
"78066"	433.869324	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M-3H"	-3.021828
"512164"	651.307624	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M-3H"	-3.021828
"891058"	216.431024	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-3H"	-3.021828
"3075"	651.307624	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M-2H"	-2.014552
"442635"	977.465074	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M-2H"	-2.014552
"820437"	325.150174	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-2H"	-2.014552
"82617"	1303.622524	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M-H"	-1.007276
"521083"	1955.937424	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M-H"	-1.007276
"896574"	651.307624	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-H"	-1.007276
"52166"	1320.649071	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M-2H+NH4"	16.019271
"490632"	1972.963971	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M-2H+NH4"	16.019271
"865396"	668.334171	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-2H+NH4"	16.019271
"32080"	1325.604466	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M-2H+Na"	20.974666
"476990"	1977.919366	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M-2H+Na"	20.974666
"852603"	673.289566	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-2H+Na"	20.974666
"1627603"	673.289566	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Na-2H"	20.974666
"100854"	669.295963	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M-H+Cl"	33.962126
"541509"	995.453413	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M-H+Cl"	33.962126
"939035"	343.138513	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-H+Cl"	33.962126
"282833"	1339.599202	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+Cl"	34.969402
"675588"	1991.914102	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+Cl"	34.969402
"1288367"	687.284302	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Cl"	34.969402
"30444"	1341.578406	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M-2H+K"	36.948606
"469640"	1993.893306	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M-2H+K"	36.948606
"846713"	689.263506	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-2H+K"	36.948606
"1567649"	689.263506	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+K-2H"	36.948606
"956260"	697.313094	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-H+HCOOH"	44.998194
"376708"	1349.628001	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+HCOOH-H"	44.998201
"358725"	1363.643651	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+Hac-H"	59.013851
"1506100"	711.328751	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Hac-H"	59.013851
"969264"	719.295051	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-H+NaCOOH"	66.980151
"124366"	687.284302	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+2Cl"	69.938804
"562104"	1013.441752	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+2Cl"	69.938804
"1028718"	361.126852	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2Cl"	69.938804
"1252673"	731.233785	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Br"	78.918885
"1316946"	733.289772	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Cl+HCOOH"	80.974872
"1331527"	755.271729	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Cl+NaCOOH"	102.956829
"920397"	765.300486	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M-H+CF3COOH"	112.985586
"1301481"	801.277164	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Cl+CF3COOH"	148.962264
"1377092"	617.302224	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H-2H2O"	-35.012676
"1390579"	635.3122	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H-H2O"	-17.0027
"291359"	1305.637076	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+H"	1.007276
"690222"	1957.951976	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+H"	1.007276
"1361223"	653.322176	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H"	1.007276
"135934"	653.322176	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+2H"	2.014552
"573675"	979.479626	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+2H"	2.014552
"1044663"	327.164726	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2H"	2.014552
"208553"	435.883876	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+3H"	3.021828
"653218"	653.322176	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+3H"	3.021828
"1171341"	218.445576	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+3H"	3.021828
"429145"	1322.663623	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+NH4"	18.033823
"791236"	1974.978523	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+NH4"	18.033823
"1687567"	670.348723	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+NH4"	18.033823
"331835"	661.8354495	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+H+NH4"	19.041099
"727172"	987.9928995	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+H+NH4"	19.041099
"1480992"	335.6779995	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H+NH4"	19.041099
"397485"	1327.619018	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+Na"	22.989218
"758483"	1979.933918	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+Na"	22.989218
"1604757"	675.304118	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Na"	22.989218
"317711"	664.313147	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+H+Na"	23.996494
"712320"	990.470597	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+H+Na"	23.996494
"1476351"	338.155697	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H+Na"	23.996494
"1060482"	225.77289	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2H+Na"	25.00377
"1263252"	685.348386	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+CH3OH+H"	33.033486
"382923"	1343.592958	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+K"	38.963158
"741731"	1995.907858	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+K"	38.963158
"1543053"	691.278058	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+K"	38.963158
"302052"	672.300117	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+H+K"	39.970434
"694109"	998.457567	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+H+K"	39.970434
"1453759"	346.142667	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H+K"	39.970434
"241269"	1346.663626	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+ACN+H"	42.033826
"1215070"	694.348726	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+ACN+H"	42.033826
"1196037"	347.678001	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+ACN+2H"	43.041102
"194013"	1349.60096	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+2Na-H"	44.97116
"631020"	2001.91586	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+2Na-H"	44.97116
"1132339"	697.28606	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2Na-H"	44.97116
"173093"	675.304118	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+2Na"	45.978436
"613366"	1001.461568	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+2Na"	45.978436
"1115797"	349.146668	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2Na"	45.978436
"1403692"	233.100204	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H+2Na"	46.985712
"1437994"	699.327646	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H+HCOOH"	47.012746
"220439"	680.33714	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+3H2O+2H"	56.04448
"1509678"	713.37969	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+IsoProp+H"	61.06479
"414347"	683.291088	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+Na+K"	61.952376
"774612"	1009.448538	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+Na+K"	61.952376
"1672768"	357.133638	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Na+K"	61.952376
"255277"	1368.645568	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+ACN+Na"	64.015768
"1229441"	716.330668	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+ACN+Na"	64.015768
"1721973"	716.354193	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+NH4+HCOOH"	64.039293
"1184411"	240.427518	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+3Na"	68.967654
"1656129"	721.309588	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Na+HCOOH"	68.994688
"161896"	1381.54884	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+2K-H"	76.91904
"602550"	2033.86374	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+2K-H"	76.91904
"1091447"	729.23394	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2K-H"	76.91904
"154827"	691.278058	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"2M+2K"	77.926316
"585640"	1017.435508	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"3M+2K"	77.926316
"1078901"	365.120608	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2K"	77.926316
"1111015"	731.248492	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2K+H"	78.933592
"1341933"	731.336107	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+DMSO+H"	79.021207
"1017397"	735.375276	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2ACN+H"	83.060376
"1535887"	736.368908	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+IsoProp+Na+H"	84.054008
"1000511"	368.191276	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+2ACN+2H"	84.067652
"1600849"	737.283528	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+K+HCOOH"	84.968628
"1420675"	767.315038	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+H+CF3COOH"	115.000138
"1159712"	388.704551	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+3ACN+2H"	125.094202
"1704889"	784.341585	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+NH4+CF3COOH"	132.026685
"1647100"	789.29698	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+Na+CF3COOH"	136.98208
"1586031"	805.27092	"C09461"	"Hernandezine"	"C39H44N2O7"	"652.3149"	"M+K+CF3COOH"	152.95602
"803274"	383.1369	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M"	0
"974339"	364.11851	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H2O-H"	-19.01839
"78059"	254.417324	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-3H"	-3.021828
"514461"	382.129624	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-3H"	-3.021828
"892262"	126.705024	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-3H"	-3.021828
"5371"	382.129624	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H"	-2.014552
"440922"	573.698074	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H"	-2.014552
"821640"	190.561174	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H"	-2.014552
"81633"	765.266524	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-H"	-1.007276
"521557"	1148.403424	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-H"	-1.007276
"900088"	382.129624	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H"	-1.007276
"51182"	782.293071	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H+NH4"	16.019271
"490742"	1165.429971	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H+NH4"	16.019271
"865261"	399.156171	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H+NH4"	16.019271
"34259"	787.248466	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H+Na"	20.974666
"477100"	1170.385366	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H+Na"	20.974666
"852713"	404.111566	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H+Na"	20.974666
"1627713"	404.111566	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na-2H"	20.974666
"100965"	400.117963	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-H+Cl"	33.962126
"540527"	591.686413	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-H+Cl"	33.962126
"939145"	208.549513	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+Cl"	33.962126
"282699"	801.243202	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Cl"	34.969402
"675510"	1184.380102	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+Cl"	34.969402
"1288130"	418.106302	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl"	34.969402
"31177"	803.222406	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H+K"	36.948606
"469386"	1186.359306	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H+K"	36.948606
"846823"	420.085506	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H+K"	36.948606
"1568123"	420.085506	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K-2H"	36.948606
"958277"	428.135094	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+HCOOH"	44.998194
"376534"	811.272001	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+HCOOH-H"	44.998201
"357739"	825.287651	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Hac-H"	59.013851
"1505115"	442.150751	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Hac-H"	59.013851
"966094"	450.117051	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+NaCOOH"	66.980151
"123020"	418.106302	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2Cl"	69.938804
"562943"	609.674752	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2Cl"	69.938804
"1029917"	226.537852	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2Cl"	69.938804
"1248407"	462.055785	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Br"	78.918885
"1314135"	464.111772	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl+HCOOH"	80.974872
"1329449"	486.093729	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl+NaCOOH"	102.956829
"919413"	496.122486	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+CF3COOH"	112.985586
"1298311"	532.099164	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl+CF3COOH"	148.962264
"1374286"	348.124224	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H-2H2O"	-35.012676
"1390689"	366.1342	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H-H2O"	-17.0027
"286362"	767.281076	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H"	1.007276
"684620"	1150.417976	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H"	1.007276
"1361333"	384.144176	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H"	1.007276
"129846"	384.144176	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2H"	2.014552
"576701"	575.712626	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2H"	2.014552
"1042586"	192.575726	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2H"	2.014552
"210487"	256.431876	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+3H"	3.021828
"652235"	384.144176	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+3H"	3.021828
"1171451"	128.719576	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+3H"	3.021828
"428161"	784.307623	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+NH4"	18.033823
"791346"	1167.444523	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+NH4"	18.033823
"1687677"	401.170723	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+NH4"	18.033823
"333768"	392.6574495	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H+NH4"	19.041099
"727282"	584.2258995	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H+NH4"	19.041099
"1479280"	201.0889995	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+NH4"	19.041099
"396136"	789.263018	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Na"	22.989218
"759687"	1172.399918	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+Na"	22.989218
"1604505"	406.126118	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na"	22.989218
"318915"	395.135147	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H+Na"	23.996494
"711336"	586.703597	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H+Na"	23.996494
"1475853"	203.566697	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+Na"	23.996494
"1060592"	136.04689	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2H+Na"	25.00377
"1263362"	416.170386	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+CH3OH+H"	33.033486
"384127"	805.236958	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+K"	38.963158
"742935"	1188.373858	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+K"	38.963158
"1543894"	422.100058	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K"	38.963158
"300339"	403.122117	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H+K"	39.970434
"694583"	594.690567	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H+K"	39.970434
"1449859"	211.553667	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+K"	39.970434
"240284"	808.307626	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+ACN+H"	42.033826
"1215182"	425.170726	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+ACN+H"	42.033826
"1197606"	213.089001	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+ACN+2H"	43.041102
"189383"	811.24496	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2Na-H"	44.97116
"633318"	1194.38186	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2Na-H"	44.97116
"1132163"	428.10806	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2Na-H"	44.97116
"175377"	406.126118	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2Na"	45.978436
"613353"	597.694568	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2Na"	45.978436
"1116374"	214.557668	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2Na"	45.978436
"1408175"	143.374204	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+2Na"	46.985712
"1440290"	430.149646	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+HCOOH"	47.012746
"220146"	411.15914	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+3H2O+2H"	56.04448
"1508583"	444.20169	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+IsoProp+H"	61.06479
"409352"	414.113088	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Na+K"	61.952376
"772535"	605.681538	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+Na+K"	61.952376
"1671054"	222.544638	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na+K"	61.952376
"255751"	830.289568	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+ACN+Na"	64.015768
"1228458"	447.152668	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+ACN+Na"	64.015768
"1720989"	447.176193	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+NH4+HCOOH"	64.039293
"1181605"	150.701518	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+3Na"	68.967654
"1655144"	452.131588	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na+HCOOH"	68.994688
"161276"	843.19284	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2K-H"	76.91904
"603024"	1226.32974	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2K-H"	76.91904
"1093743"	460.05594	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2K-H"	76.91904
"151657"	422.100058	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2K"	77.926316
"590123"	613.668508	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2K"	77.926316
"1079011"	230.531608	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2K"	77.926316
"1110032"	462.070492	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2K+H"	78.933592
"1344229"	462.158107	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+DMSO+H"	79.021207
"1016046"	466.197276	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2ACN+H"	83.060376
"1535268"	467.190908	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+IsoProp+Na+H"	84.054008
"1000621"	233.602276	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2ACN+2H"	84.067652
"1599500"	468.105528	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K+HCOOH"	84.968628
"1425159"	498.137038	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+CF3COOH"	115.000138
"1160915"	254.115551	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+3ACN+2H"	125.094202
"1704999"	515.163585	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+NH4+CF3COOH"	132.026685
"1647210"	520.11898	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na+CF3COOH"	136.98208
"1586141"	536.09292	"C09462"	"(-)-alpha-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K+CF3COOH"	152.95602
"804477"	464.1682	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M"	0
"974917"	445.14981	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-H2O-H"	-19.01839
"77192"	308.438190666667	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M-3H"	-3.021828
"516396"	463.160924	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M-3H"	-3.021828
"890187"	153.715457333333	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-3H"	-3.021828
"5482"	463.160924	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M-2H"	-2.014552
"446137"	695.245024	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M-2H"	-2.014552
"828678"	231.076824	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-2H"	-2.014552
"82838"	927.329124	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M-H"	-1.007276
"522396"	1391.497324	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M-H"	-1.007276
"896429"	463.160924	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-H"	-1.007276
"50199"	944.355671	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M-2H+NH4"	16.019271
"495226"	1408.523871	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M-2H+NH4"	16.019271
"869748"	480.187471	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-2H+NH4"	16.019271
"38742"	949.311066	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M-2H+Na"	20.974666
"478303"	1413.479266	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M-2H+Na"	20.974666
"855009"	485.142866	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-2H+Na"	20.974666
"1626730"	485.142866	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Na-2H"	20.974666
"101074"	481.149263	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M-H+Cl"	33.962126
"544648"	713.233363	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M-H+Cl"	33.962126
"938162"	249.065163	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-H+Cl"	33.962126
"281833"	963.305802	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+Cl"	34.969402
"674250"	1427.474002	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+Cl"	34.969402
"1287142"	499.137602	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Cl"	34.969402
"27751"	965.285006	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M-2H+K"	36.948606
"470226"	1429.453206	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M-2H+K"	36.948606
"847301"	501.116806	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-2H+K"	36.948606
"1568965"	501.116806	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+K-2H"	36.948606
"956848"	509.166394	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-H+HCOOH"	44.998194
"376160"	973.334601	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+HCOOH-H"	44.998201
"358581"	987.350251	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+Hac-H"	59.013851
"1507417"	523.182051	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Hac-H"	59.013851
"973497"	531.148351	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-H+NaCOOH"	66.980151
"120943"	499.137602	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+2Cl"	69.938804
"561960"	731.221702	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+2Cl"	69.938804
"1027480"	267.053502	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2Cl"	69.938804
"1246695"	543.087085	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Br"	78.918885
"1309871"	545.143072	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Cl+HCOOH"	80.974872
"1331747"	567.125029	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Cl+NaCOOH"	102.956829
"924630"	577.153786	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M-H+CF3COOH"	112.985586
"1300974"	613.130464	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Cl+CF3COOH"	148.962264
"1376582"	429.155524	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H-2H2O"	-35.012676
"1388609"	447.1655	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H-H2O"	-17.0027
"288295"	929.343676	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+H"	1.007276
"677800"	1393.511876	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+H"	1.007276
"1353786"	465.175476	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H"	1.007276
"126306"	465.175476	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+2H"	2.014552
"577175"	697.259576	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+2H"	2.014552
"1049256"	233.091376	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2H"	2.014552
"208408"	310.452742666667	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+3H"	3.021828
"656721"	465.175476	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+3H"	3.021828
"1170468"	155.730009333333	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+3H"	3.021828
"431553"	946.370223	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+NH4"	18.033823
"791456"	1410.538423	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+NH4"	18.033823
"1687788"	482.202023	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+NH4"	18.033823
"332785"	473.6887495	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+H+NH4"	19.041099
"727393"	705.7728495	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+H+NH4"	19.041099
"1482306"	241.6046495	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H+NH4"	19.041099
"395518"	951.325618	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+Na"	22.989218
"763078"	1415.493818	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+Na"	22.989218
"1607895"	487.157418	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Na"	22.989218
"319025"	476.166447	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+H+Na"	23.996494
"712539"	708.250547	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+H+Na"	23.996494
"1466361"	244.082347	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H+Na"	23.996494
"1060702"	163.057323333333	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2H+Na"	25.00377
"1264565"	497.201686	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+CH3OH+H"	33.033486
"385333"	967.299558	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+K"	38.963158
"747421"	1431.467758	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+K"	38.963158
"1544006"	503.131358	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+K"	38.963158
"302272"	484.153417	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+H+K"	39.970434
"695788"	716.237517	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+H+K"	39.970434
"1449607"	252.069317	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H+K"	39.970434
"242585"	970.370226	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+ACN+H"	42.033826
"1216386"	506.202026	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+ACN+H"	42.033826
"1199176"	253.604651	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+ACN+2H"	43.041102
"192773"	973.30756	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+2Na-H"	44.97116
"632334"	1437.47576	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+2Na-H"	44.97116
"1132924"	509.13936	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2Na-H"	44.97116
"175487"	487.157418	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+2Na"	45.978436
"615775"	719.241518	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+2Na"	45.978436
"1116848"	255.073318	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2Na"	45.978436
"1409378"	170.384637333333	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H+2Na"	46.985712
"1439307"	511.180946	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H+HCOOH"	47.012746
"226820"	492.19044	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+3H2O+2H"	56.04448
"1513058"	525.23299	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+IsoProp+H"	61.06479
"412379"	495.144388	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+Na+K"	61.952376
"772280"	727.228488	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+Na+K"	61.952376
"1671164"	263.060288	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Na+K"	61.952376
"255136"	992.352168	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+ACN+Na"	64.015768
"1231122"	528.183968	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+ACN+Na"	64.015768
"1717456"	528.207493	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+NH4+HCOOH"	64.039293
"1182809"	177.711951333333	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+3Na"	68.967654
"1657441"	533.162888	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Na+HCOOH"	68.994688
"162844"	1005.25544	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+2K-H"	76.91904
"603498"	1469.42364	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+2K-H"	76.91904
"1089833"	541.08724	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2K-H"	76.91904
"148481"	503.131358	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"2M+2K"	77.926316
"593515"	735.215458	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"3M+2K"	77.926316
"1079121"	271.047258	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2K"	77.926316
"1106861"	543.101792	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2K+H"	78.933592
"1342152"	543.189407	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+DMSO+H"	79.021207
"1016523"	547.228576	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2ACN+H"	83.060376
"1536109"	548.222208	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+IsoProp+Na+H"	84.054008
"1001824"	274.117926	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+2ACN+2H"	84.067652
"1598517"	549.136828	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+K+HCOOH"	84.968628
"1418709"	579.168338	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+H+CF3COOH"	115.000138
"1161997"	294.631201	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+3ACN+2H"	125.094202
"1704016"	596.194885	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+NH4+CF3COOH"	132.026685
"1647320"	601.15028	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+Na+CF3COOH"	136.98208
"1586251"	617.12422	"C09463"	"Glaucolide A"	"C23H28O10"	"464.1682"	"M+K+CF3COOH"	152.95602
"804587"	565.2159	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M"	0
"974712"	546.19751	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-H2O-H"	-19.01839
"63560"	375.803324	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M-3H"	-3.021828
"503724"	564.208624	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M-3H"	-3.021828
"880559"	187.398024	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-3H"	-3.021828
"15432"	564.208624	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M-2H"	-2.014552
"450621"	846.816574	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M-2H"	-2.014552
"828788"	281.600674	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-2H"	-2.014552
"87321"	1129.424524	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M-H"	-1.007276
"521413"	1694.640424	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M-H"	-1.007276
"898121"	564.208624	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-H"	-1.007276
"50309"	1146.451071	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M-2H+NH4"	16.019271
"496428"	1711.666971	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M-2H+NH4"	16.019271
"872043"	581.235171	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-2H+NH4"	16.019271
"33384"	1151.406466	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M-2H+Na"	20.974666
"480600"	1716.622366	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M-2H+Na"	20.974666
"852933"	586.190566	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-2H+Na"	20.974666
"1626840"	586.190566	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Na-2H"	20.974666
"100091"	582.196963	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M-H+Cl"	33.962126
"546945"	864.804913	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M-H+Cl"	33.962126
"939001"	299.589013	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-H+Cl"	33.962126
"282190"	1165.401202	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+Cl"	34.969402
"674244"	1730.617102	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+Cl"	34.969402
"1285914"	600.185302	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Cl"	34.969402
"29931"	1167.380406	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M-2H+K"	36.948606
"469852"	1732.596306	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M-2H+K"	36.948606
"846929"	602.164506	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-2H+K"	36.948606
"1569442"	602.164506	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+K-2H"	36.948606
"957449"	610.214094	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-H+HCOOH"	44.998194
"374934"	1175.430001	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+HCOOH-H"	44.998201
"359055"	1189.445651	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+Hac-H"	59.013851
"1506675"	624.229751	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Hac-H"	59.013851
"972880"	632.196051	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-H+NaCOOH"	66.980151
"121053"	600.185302	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+2Cl"	69.938804
"561706"	882.793252	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+2Cl"	69.938804
"1029047"	317.577352	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2Cl"	69.938804
"1248627"	644.134785	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Br"	78.918885
"1309981"	646.190772	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Cl+HCOOH"	80.974872
"1334167"	668.172729	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Cl+NaCOOH"	102.956829
"925591"	678.201486	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M-H+CF3COOH"	112.985586
"1298532"	714.178164	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Cl+CF3COOH"	148.962264
"1374505"	530.203224	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H-2H2O"	-35.012676
"1389812"	548.2132	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H-H2O"	-17.0027
"287312"	1131.439076	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+H"	1.007276
"677910"	1696.654976	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+H"	1.007276
"1356082"	566.223176	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H"	1.007276
"127268"	566.223176	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+2H"	2.014552
"577285"	848.831126	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+2H"	2.014552
"1047179"	283.615226	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2H"	2.014552
"207788"	377.817876	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+3H"	3.021828
"658652"	566.223176	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+3H"	3.021828
"1169484"	189.412576	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+3H"	3.021828
"431663"	1148.465623	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+NH4"	18.033823
"793752"	1713.681523	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+NH4"	18.033823
"1687895"	583.249723	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+NH4"	18.033823
"333987"	574.7364495	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+H+NH4"	19.041099
"726409"	857.3443995	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+H+NH4"	19.041099
"1482416"	292.1284995	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H+NH4"	19.041099
"394047"	1153.421018	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+Na"	22.989218
"763186"	1718.636918	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+Na"	22.989218
"1608003"	588.205118	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Na"	22.989218
"322413"	577.214147	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+H+Na"	23.996494
"712651"	859.822097	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+H+Na"	23.996494
"1470847"	294.606197	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H+Na"	23.996494
"1063000"	196.73989	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2H+Na"	25.00377
"1265769"	598.249386	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+CH3OH+H"	33.033486
"385443"	1169.394958	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+K"	38.963158
"745344"	1734.610858	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+K"	38.963158
"1544116"	604.179058	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+K"	38.963158
"302383"	585.201117	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+H+K"	39.970434
"696262"	867.809067	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+H+K"	39.970434
"1448989"	302.593167	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H+K"	39.970434
"243789"	1172.465626	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+ACN+H"	42.033826
"1213580"	607.249726	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+ACN+H"	42.033826
"1198920"	304.128501	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+ACN+2H"	43.041102
"193614"	1175.40296	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+2Na-H"	44.97116
"633173"	1740.61886	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+2Na-H"	44.97116
"1132546"	610.18706	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2Na-H"	44.97116
"173164"	588.205118	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+2Na"	45.978436
"615885"	870.813068	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+2Na"	45.978436
"1116232"	305.597168	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2Na"	45.978436
"1406208"	204.067204	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H+2Na"	46.985712
"1442700"	612.228646	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H+HCOOH"	47.012746
"226930"	593.23814	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+3H2O+2H"	56.04448
"1509888"	626.28069	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+IsoProp+H"	61.06479
"410301"	596.192088	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+Na+K"	61.952376
"772390"	878.800038	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+Na+K"	61.952376
"1670910"	313.584138	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Na+K"	61.952376
"255246"	1194.447568	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+ACN+Na"	64.015768
"1231232"	629.231668	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+ACN+Na"	64.015768
"1717565"	629.255193	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+NH4+HCOOH"	64.039293
"1183285"	211.394518	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+3Na"	68.967654
"1659738"	634.210588	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Na+HCOOH"	68.994688
"162954"	1207.35084	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+2K-H"	76.91904
"605429"	1772.56674	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+2K-H"	76.91904
"1089213"	642.13494	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2K-H"	76.91904
"147498"	604.179058	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"2M+2K"	77.926316
"593261"	886.787008	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"3M+2K"	77.926316
"1079231"	321.571108	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2K"	77.926316
"1106971"	644.149492	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2K+H"	78.933592
"1341169"	644.237107	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+DMSO+H"	79.021207
"1018821"	648.276276	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2ACN+H"	83.060376
"1537315"	649.269908	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+IsoProp+Na+H"	84.054008
"1003030"	324.641776	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+2ACN+2H"	84.067652
"1601544"	650.184528	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+K+HCOOH"	84.968628
"1423193"	680.216038	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+H+CF3COOH"	115.000138
"1161864"	345.155051	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+3ACN+2H"	125.094202
"1704126"	697.242585	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+NH4+CF3COOH"	132.026685
"1647430"	702.19798	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+Na+CF3COOH"	136.98208
"1586361"	718.17192	"C09464"	"Ipecoside"	"C27H35NO12"	"565.2159"	"M+K+CF3COOH"	152.95602
"806885"	438.1526	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M"	0
"977135"	419.13421	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-H2O-H"	-19.01839
"62927"	291.094457333333	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M-3H"	-3.021828
"502934"	437.145324	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M-3H"	-3.021828
"879961"	145.043590666667	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-3H"	-3.021828
"5693"	437.145324	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M-2H"	-2.014552
"452910"	656.221624	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M-2H"	-2.014552
"820873"	218.069024	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-2H"	-2.014552
"86338"	875.297924	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M-H"	-1.007276
"522616"	1313.450524	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M-H"	-1.007276
"897013"	437.145324	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-H"	-1.007276
"50419"	892.324471	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M-2H+NH4"	16.019271
"494352"	1330.477071	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M-2H+NH4"	16.019271
"872154"	454.171871	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-2H+NH4"	16.019271
"33494"	897.279866	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M-2H+Na"	20.974666
"478523"	1335.432466	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M-2H+Na"	20.974666
"854136"	459.127266	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-2H+Na"	20.974666
"1623668"	459.127266	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Na-2H"	20.974666
"100201"	455.133663	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M-H+Cl"	33.962126
"548515"	674.209963	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M-H+Cl"	33.962126
"938746"	236.057363	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-H+Cl"	33.962126
"281815"	911.274602	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+Cl"	34.969402
"674235"	1349.427202	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+Cl"	34.969402
"1286145"	473.122002	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Cl"	34.969402
"29675"	913.253806	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M-2H+K"	36.948606
"470896"	1351.406406	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M-2H+K"	36.948606
"847523"	475.101206	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-2H+K"	36.948606
"1569916"	475.101206	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+K-2H"	36.948606
"957436"	483.150794	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-H+HCOOH"	44.998194
"376378"	921.303401	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+HCOOH-H"	44.998201
"358436"	935.319051	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+Hac-H"	59.013851
"1508001"	497.166451	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Hac-H"	59.013851
"972260"	505.132751	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-H+NaCOOH"	66.980151
"121163"	473.122002	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+2Cl"	69.938804
"561816"	692.198302	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+2Cl"	69.938804
"1027335"	254.045702	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2Cl"	69.938804
"1246184"	517.071485	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Br"	78.918885
"1311186"	519.127472	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Cl+HCOOH"	80.974872
"1333790"	541.109429	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Cl+NaCOOH"	102.956829
"924485"	551.138186	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M-H+CF3COOH"	112.985586
"1298642"	587.114864	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Cl+CF3COOH"	148.962264
"1373522"	403.139924	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H-2H2O"	-35.012676
"1388829"	421.1499	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H-H2O"	-17.0027
"287422"	877.312476	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+H"	1.007276
"678749"	1315.465076	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+H"	1.007276
"1356192"	439.159876	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H"	1.007276
"128350"	439.159876	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+2H"	2.014552
"574115"	658.236176	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+2H"	2.014552
"1046196"	220.083576	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2H"	2.014552
"204740"	293.109009333333	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+3H"	3.021828
"658033"	439.159876	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+3H"	3.021828
"1166315"	147.058142666667	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+3H"	3.021828
"430680"	894.339023	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+NH4"	18.033823
"792769"	1332.491623	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+NH4"	18.033823
"1688005"	456.186423	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+NH4"	18.033823
"334463"	447.6731495	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+H+NH4"	19.041099
"730893"	666.7494495	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+H+NH4"	19.041099
"1485806"	228.5968495	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H+NH4"	19.041099
"393915"	899.294418	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+Na"	22.989218
"756734"	1337.447018	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+Na"	22.989218
"1607019"	461.141818	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Na"	22.989218
"322523"	450.150847	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+H+Na"	23.996494
"710209"	669.227147	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+H+Na"	23.996494
"1470957"	231.074547	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H+Na"	23.996494
"1062015"	154.385456666667	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2H+Na"	25.00377
"1259319"	471.186086	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+CH3OH+H"	33.033486
"383364"	915.268358	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+K"	38.963158
"743267"	1353.420958	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+K"	38.963158
"1543132"	477.115758	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+K"	38.963158
"299940"	458.137817	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+H+K"	39.970434
"694549"	677.214117	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+H+K"	39.970434
"1446908"	239.061517	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H+K"	39.970434
"238432"	918.339026	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+ACN+H"	42.033826
"1211502"	480.186426	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+ACN+H"	42.033826
"1196113"	240.596851	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+ACN+2H"	43.041102
"190808"	921.27636	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+2Na-H"	44.97116
"631460"	1359.42896	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+2Na-H"	44.97116
"1131881"	483.12376	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2Na-H"	44.97116
"174000"	461.141818	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+2Na"	45.978436
"613804"	680.218118	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+2Na"	45.978436
"1115856"	242.065518	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2Na"	45.978436
"1404131"	161.712770666667	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H+2Na"	46.985712
"1440986"	485.165346	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H+HCOOH"	47.012746
"227040"	466.17484	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+3H2O+2H"	56.04448
"1510362"	499.21739	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+IsoProp+H"	61.06479
"410775"	469.128788	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+Na+K"	61.952376
"771042"	688.205088	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+Na+K"	61.952376
"1668466"	250.052488	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Na+K"	61.952376
"257543"	940.320968	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+ACN+Na"	64.015768
"1229519"	502.168368	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+ACN+Na"	64.015768
"1715853"	502.191893	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+NH4+HCOOH"	64.039293
"1184123"	169.040084666667	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+3Na"	68.967654
"1656569"	507.147288	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Na+HCOOH"	68.994688
"163792"	953.22424	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+2K-H"	76.91904
"602988"	1391.37684	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+2K-H"	76.91904
"1088593"	515.07164	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2K-H"	76.91904
"146515"	477.115758	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"2M+2K"	77.926316
"594103"	696.192058	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"3M+2K"	77.926316
"1081530"	258.039458	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2K"	77.926316
"1110362"	517.086192	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2K+H"	78.933592
"1343467"	517.173807	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+DMSO+H"	79.021207
"1018933"	521.212976	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2ACN+H"	83.060376
"1538518"	522.206608	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+IsoProp+Na+H"	84.054008
"1002044"	261.110126	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+2ACN+2H"	84.067652
"1600561"	523.121228	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+K+HCOOH"	84.968628
"1426584"	553.152738	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+H+CF3COOH"	115.000138
"1156873"	281.623401	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+3ACN+2H"	125.094202
"1707516"	570.179285	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+NH4+CF3COOH"	132.026685
"1649487"	575.13468	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+Na+CF3COOH"	136.98208
"1586471"	591.10862	"C09465"	"Glaucolide B"	"C21H26O10"	"438.1526"	"M+K+CF3COOH"	152.95602
"803714"	232.1463	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M"	0
"975058"	213.12791	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"63662"	153.756924	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"503008"	231.139024	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"880784"	76.374824	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"5803"	231.139024	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"453020"	347.212174	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"831192"	115.065874	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"89365"	463.285324	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"523821"	695.431624	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"904902"	231.139024	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"55996"	480.311871	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"499931"	712.458171	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"876640"	248.165571	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"45632"	485.267266	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"481914"	717.413566	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"858621"	253.120966	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1623780"	253.120966	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"99214"	249.127363	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"547527"	365.200513	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"942386"	133.054213	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"282534"	499.262002	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"674831"	731.408302	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1288128"	267.115702	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"31129"	501.241206	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"470315"	733.387506	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"848321"	269.094906	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1571001"	269.094906	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"958448"	277.144494	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"374665"	509.290801	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"358181"	523.306451	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1505923"	291.160151	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"972734"	299.126451	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"118721"	267.115702	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"560466"	383.188852	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1029271"	151.042552	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1246659"	311.065185	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1309474"	313.121172	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1332079"	335.103129	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"923503"	345.131886	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1298752"	381.108564	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1378007"	197.133624	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1387849"	215.1436	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"285711"	465.299876	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"679953"	697.446176	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1355209"	233.153576	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"127003"	233.153576	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"575322"	349.226726	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1041934"	117.080426	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"206553"	155.771476	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"645382"	233.153576	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1164237"	78.389376	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"424955"	482.326423	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"790693"	714.472723	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1681918"	250.180123	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"334207"	241.6668495	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"724441"	357.7399995	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1477239"	125.5936995	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"393417"	487.281818	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"756115"	719.428118	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1603850"	255.135518	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"316436"	244.144547	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"709955"	360.217697	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1468881"	128.071397	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1058846"	85.71669	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1258700"	265.179786	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"385663"	503.255758	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"741555"	735.402058	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1541784"	271.109458	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"298666"	252.131517	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"692107"	368.204667	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1448115"	136.058367	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"238542"	506.326426	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1213799"	274.180126	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1197682"	137.593701	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"195657"	509.26376	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"631937"	741.41006	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1133131"	277.11746	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"173338"	255.135518	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"614891"	371.208668	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1116449"	139.062368	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1401326"	93.044004	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1436721"	279.159046	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"230431"	260.16854	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1514483"	293.21109	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"408699"	263.122488	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"770459"	379.195638	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1666026"	147.049338	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"251939"	528.308368	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1225979"	296.162068	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1712879"	296.185593	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1178965"	100.371318	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1651572"	301.140988	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"158068"	541.21164	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"597503"	773.35794	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1090161"	309.06534	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"144436"	271.109458	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"594583"	387.182608	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1082739"	155.036308	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1111933"	311.079892	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1346859"	311.167507	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1019900"	315.206676	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1538872"	316.200308	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"1002154"	158.106976	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1601401"	317.114928	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1425601"	347.146438	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1162086"	178.620251	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1710907"	364.172985	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1647650"	369.12838	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1586581"	385.10232	"C09466"	"Glechomanolide"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"807105"	360.1209	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M"	0
"977356"	341.10251	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-H2O-H"	-19.01839
"66691"	239.073324	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M-3H"	-3.021828
"503085"	359.113624	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M-3H"	-3.021828
"881862"	119.033024	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-3H"	-3.021828
"524"	359.113624	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M-2H"	-2.014552
"449849"	539.174074	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M-2H"	-2.014552
"821093"	179.053174	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-2H"	-2.014552
"87652"	719.234524	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M-H"	-1.007276
"523931"	1079.355424	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M-H"	-1.007276
"905012"	359.113624	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-H"	-1.007276
"56106"	736.261071	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M-2H+NH4"	16.019271
"496759"	1096.381971	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M-2H+NH4"	16.019271
"875656"	376.140171	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-2H+NH4"	16.019271
"42462"	741.216466	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M-2H+Na"	20.974666
"482024"	1101.337366	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M-2H+Na"	20.974666
"855451"	381.095566	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-2H+Na"	20.974666
"1621702"	381.095566	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Na-2H"	20.974666
"100417"	377.101963	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M-H+Cl"	33.962126
"537792"	557.162413	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M-H+Cl"	33.962126
"931304"	197.041513	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-H+Cl"	33.962126
"278616"	755.211202	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+Cl"	34.969402
"675421"	1115.332102	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+Cl"	34.969402
"1288426"	395.090302	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Cl"	34.969402
"31266"	757.190406	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M-2H+K"	36.948606
"470912"	1117.311306	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M-2H+K"	36.948606
"848275"	397.069506	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-2H+K"	36.948606
"1571233"	397.069506	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+K-2H"	36.948606
"957898"	405.119094	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-H+HCOOH"	44.998194
"373682"	765.240001	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+HCOOH-H"	44.998201
"358291"	779.255651	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+Hac-H"	59.013851
"1504574"	419.134751	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Hac-H"	59.013851
"970292"	427.101051	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-H+NaCOOH"	66.980151
"122476"	395.090302	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+2Cl"	69.938804
"562399"	575.150752	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+2Cl"	69.938804
"1028288"	215.029852	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2Cl"	69.938804
"1246769"	439.039785	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Br"	78.918885
"1309220"	441.095772	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Cl+HCOOH"	80.974872
"1333646"	463.077729	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Cl+NaCOOH"	102.956829
"924707"	473.106486	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M-H+CF3COOH"	112.985586
"1298862"	509.083164	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Cl+CF3COOH"	148.962264
"1371556"	325.108224	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H-2H2O"	-35.012676
"1385770"	343.1182	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H-H2O"	-17.0027
"285821"	721.249076	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+H"	1.007276
"678969"	1081.369976	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+H"	1.007276
"1353135"	361.128176	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H"	1.007276
"126141"	361.128176	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+2H"	2.014552
"576525"	541.188626	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+2H"	2.014552
"1042044"	181.067726	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2H"	2.014552
"205934"	241.087876	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+3H"	3.021828
"648408"	361.128176	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+3H"	3.021828
"1164348"	121.047576	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+3H"	3.021828
"426526"	738.275623	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+NH4"	18.033823
"790803"	1098.396523	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+NH4"	18.033823
"1686039"	378.154723	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+NH4"	18.033823
"337598"	369.6414495	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+H+NH4"	19.041099
"724551"	549.7018995	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+H+NH4"	19.041099
"1478002"	189.5809995	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H+NH4"	19.041099
"393405"	743.231018	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+Na"	22.989218
"761328"	1103.351918	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+Na"	22.989218
"1607240"	383.110118	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Na"	22.989218
"316546"	372.119147	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+H+Na"	23.996494
"707877"	552.179597	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+H+Na"	23.996494
"1468991"	192.058697	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H+Na"	23.996494
"1058956"	128.37489	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2H+Na"	25.00377
"1257307"	393.154386	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+CH3OH+H"	33.033486
"386867"	759.204958	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+K"	38.963158
"744581"	1119.325858	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+K"	38.963158
"1541894"	399.084058	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+K"	38.963158
"299431"	380.106117	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+H+K"	39.970434
"692583"	560.166567	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+H+K"	39.970434
"1448226"	200.045667	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H+K"	39.970434
"239746"	762.275626	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+ACN+H"	42.033826
"1213546"	402.154726	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+ACN+H"	42.033826
"1196335"	201.581001	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+ACN+2H"	43.041102
"195767"	765.21296	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+2Na-H"	44.97116
"638608"	1125.33386	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+2Na-H"	44.97116
"1133365"	405.09206	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2Na-H"	44.97116
"173983"	383.110118	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+2Na"	45.978436
"619498"	563.170568	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+2Na"	45.978436
"1116072"	203.049668	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2Na"	45.978436
"1404716"	135.702204	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H+2Na"	46.985712
"1436467"	407.133646	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H+HCOOH"	47.012746
"227261"	388.14314	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+3H2O+2H"	56.04448
"1514229"	421.18569	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+IsoProp+H"	61.06479
"411361"	391.097088	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+Na+K"	61.952376
"770010"	571.157538	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+Na+K"	61.952376
"1666176"	211.036638	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Na+K"	61.952376
"256669"	784.257568	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+ACN+Na"	64.015768
"1226175"	424.136668	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+ACN+Na"	64.015768
"1713027"	424.160193	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+NH4+HCOOH"	64.039293
"1179846"	143.029518	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+3Na"	68.967654
"1653140"	429.115588	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Na+HCOOH"	68.994688
"159637"	797.16084	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+2K-H"	76.91904
"599561"	1157.28174	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+2K-H"	76.91904
"1091004"	437.03994	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2K-H"	76.91904
"144546"	399.084058	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"2M+2K"	77.926316
"583016"	579.144508	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"3M+2K"	77.926316
"1070806"	219.023608	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2K"	77.926316
"1111314"	439.054492	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2K+H"	78.933592
"1348062"	439.142107	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+DMSO+H"	79.021207
"1019880"	443.181276	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2ACN+H"	83.060376
"1539629"	444.174908	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+IsoProp+Na+H"	84.054008
"1003359"	222.094276	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+2ACN+2H"	84.067652
"1602241"	445.089528	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+K+HCOOH"	84.968628
"1428263"	475.121038	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+H+CF3COOH"	115.000138
"1162399"	242.607551	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+3ACN+2H"	125.094202
"1710653"	492.147585	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+NH4+CF3COOH"	132.026685
"1649586"	497.10298	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+Na+CF3COOH"	136.98208
"1586691"	513.07692	"C09467"	"Goyazensolide"	"C19H20O7"	"360.1209"	"M+K+CF3COOH"	152.95602
"807215"	446.2305	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M"	0
"979652"	427.21211	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-H2O-H"	-19.01839
"64614"	296.479724	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M-3H"	-3.021828
"503238"	445.223224	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M-3H"	-3.021828
"881242"	147.736224	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-3H"	-3.021828
"918"	445.223224	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M-2H"	-2.014552
"449959"	668.338474	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M-2H"	-2.014552
"821203"	222.107974	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-2H"	-2.014552
"87398"	891.453724	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M-H"	-1.007276
"525134"	1337.684224	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M-H"	-1.007276
"902935"	445.223224	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-H"	-1.007276
"56216"	908.480271	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M-2H+NH4"	16.019271
"496869"	1354.710771	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M-2H+NH4"	16.019271
"873579"	462.249771	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-2H+NH4"	16.019271
"41479"	913.435666	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M-2H+Na"	20.974666
"479947"	1359.666166	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M-2H+Na"	20.974666
"855561"	467.205166	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-2H+Na"	20.974666
"1623998"	467.205166	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Na-2H"	20.974666
"101620"	463.211563	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M-H+Cl"	33.962126
"538995"	686.326813	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M-H+Cl"	33.962126
"931414"	240.096313	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-H+Cl"	33.962126
"276536"	927.430402	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+Cl"	34.969402
"667866"	1373.660902	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+Cl"	34.969402
"1288290"	481.199902	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Cl"	34.969402
"29636"	929.409606	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M-2H+K"	36.948606
"470943"	1375.640106	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M-2H+K"	36.948606
"847487"	483.179106	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-2H+K"	36.948606
"1569885"	483.179106	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+K-2H"	36.948606
"957036"	491.228694	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-H+HCOOH"	44.998194
"373427"	937.459201	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+HCOOH-H"	44.998201
"358035"	951.474851	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+Hac-H"	59.013851
"1505778"	505.244351	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Hac-H"	59.013851
"971130"	513.210651	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-H+NaCOOH"	66.980151
"121127"	481.199902	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+2Cl"	69.938804
"562876"	704.315152	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+2Cl"	69.938804
"1028398"	258.084652	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2Cl"	69.938804
"1249065"	525.149385	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Br"	78.918885
"1309329"	527.205372	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Cl+HCOOH"	80.974872
"1331205"	549.187329	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Cl+NaCOOH"	102.956829
"922264"	559.216086	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M-H+CF3COOH"	112.985586
"1295692"	595.192764	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Cl+CF3COOH"	148.962264
"1371666"	411.217824	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H-2H2O"	-35.012676
"1384419"	429.2278	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H-H2O"	-17.0027
"283745"	893.468276	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+H"	1.007276
"677986"	1339.698776	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+H"	1.007276
"1355431"	447.237776	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H"	1.007276
"127224"	447.237776	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+2H"	2.014552
"574448"	670.353026	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+2H"	2.014552
"1042154"	224.122526	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2H"	2.014552
"210053"	298.494276	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+3H"	3.021828
"649611"	447.237776	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+3H"	3.021828
"1163845"	149.750776	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+3H"	3.021828
"427729"	910.494823	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+NH4"	18.033823
"789819"	1356.725323	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+NH4"	18.033823
"1686149"	464.264323	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+NH4"	18.033823
"338801"	455.7510495	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+H+NH4"	19.041099
"723688"	678.8662995	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+H+NH4"	19.041099
"1478112"	232.6357995	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H+NH4"	19.041099
"394974"	915.450218	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+Na"	22.989218
"757062"	1361.680718	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+Na"	22.989218
"1607350"	469.219718	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Na"	22.989218
"319572"	458.228747	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+H+Na"	23.996494
"715272"	681.343997	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+H+Na"	23.996494
"1469101"	235.113497	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H+Na"	23.996494
"1059066"	157.07809	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2H+Na"	25.00377
"1257946"	479.263986	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+CH3OH+H"	33.033486
"386977"	931.424158	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+K"	38.963158
"744691"	1377.654658	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+K"	38.963158
"1542368"	485.193658	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+K"	38.963158
"300271"	466.215717	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+H+K"	39.970434
"694516"	689.330967	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+H+K"	39.970434
"1449065"	243.100467	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H+K"	39.970434
"240949"	934.494826	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+ACN+H"	42.033826
"1214749"	488.264326	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+ACN+H"	42.033826
"1196444"	244.635801	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+ACN+2H"	43.041102
"198064"	937.43216	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+2Na-H"	44.97116
"637624"	1383.66266	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+2Na-H"	44.97116
"1132868"	491.20166	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2Na-H"	44.97116
"173970"	469.219718	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+2Na"	45.978436
"614141"	692.334968	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+2Na"	45.978436
"1115903"	246.104468	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2Na"	45.978436
"1399473"	164.405404	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H+2Na"	46.985712
"1438761"	493.243246	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H+HCOOH"	47.012746
"220440"	474.25274	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+3H2O+2H"	56.04448
"1513241"	507.29529	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+IsoProp+H"	61.06479
"411105"	477.206688	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+Na+K"	61.952376
"770276"	700.321938	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+Na+K"	61.952376
"1669158"	254.091438	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Na+K"	61.952376
"251557"	956.476768	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+ACN+Na"	64.015768
"1226082"	510.246268	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+ACN+Na"	64.015768
"1712951"	510.269793	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+NH4+HCOOH"	64.039293
"1179268"	171.732718	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+3Na"	68.967654
"1652523"	515.225188	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Na+HCOOH"	68.994688
"164852"	969.38004	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+2K-H"	76.91904
"599307"	1415.61054	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+2K-H"	76.91904
"1090017"	523.14954	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2K-H"	76.91904
"143926"	485.193658	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"2M+2K"	77.926316
"583126"	708.308908	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"3M+2K"	77.926316
"1072009"	262.078408	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2K"	77.926316
"1110331"	525.164092	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2K+H"	78.933592
"1344893"	525.251707	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+DMSO+H"	79.021207
"1020355"	529.290876	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2ACN+H"	83.060376
"1539333"	530.284508	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+IsoProp+Na+H"	84.054008
"1004685"	265.149076	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+2ACN+2H"	84.067652
"1602593"	531.199128	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+K+HCOOH"	84.968628
"1428008"	561.230638	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+H+CF3COOH"	115.000138
"1162428"	285.662351	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+3ACN+2H"	125.094202
"1711006"	578.257185	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+NH4+CF3COOH"	132.026685
"1649574"	583.21258	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+Na+CF3COOH"	136.98208
"1586801"	599.18652	"C09468"	"Gradolide"	"C25H34O7"	"446.2305"	"M+K+CF3COOH"	152.95602
"813885"	434.1577	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M"	0
"979762"	415.13931	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-H2O-H"	-19.01839
"72378"	288.431190666667	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M-3H"	-3.021828
"509753"	433.150424	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M-3H"	-3.021828
"882085"	143.711957333333	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-3H"	-3.021828
"418"	433.150424	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M-2H"	-2.014552
"450069"	650.229274	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M-2H"	-2.014552
"824593"	216.071574	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-2H"	-2.014552
"90059"	867.308124	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M-H"	-1.007276
"532293"	1301.465824	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M-H"	-1.007276
"907419"	433.150424	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-H"	-1.007276
"59243"	884.334671	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M-2H+NH4"	16.019271
"496980"	1318.492371	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M-2H+NH4"	16.019271
"874781"	450.176971	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-2H+NH4"	16.019271
"42684"	889.290066	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M-2H+Na"	20.974666
"478961"	1323.447766	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M-2H+Na"	20.974666
"853484"	455.132366	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-2H+Na"	20.974666
"1625205"	455.132366	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Na-2H"	20.974666
"102827"	451.138763	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M-H+Cl"	33.962126
"540201"	668.217613	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M-H+Cl"	33.962126
"932620"	234.059913	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-H+Cl"	33.962126
"272273"	903.284802	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+Cl"	34.969402
"666149"	1337.442502	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+Cl"	34.969402
"1287677"	469.127102	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Cl"	34.969402
"29869"	905.264006	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M-2H+K"	36.948606
"470152"	1339.421706	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M-2H+K"	36.948606
"847236"	471.106306	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-2H+K"	36.948606
"1569630"	471.106306	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+K-2H"	36.948606
"957512"	479.155894	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-H+HCOOH"	44.998194
"374630"	913.313601	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+HCOOH-H"	44.998201
"358512"	927.329251	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+Hac-H"	59.013851
"1507347"	493.171551	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Hac-H"	59.013851
"971971"	501.137851	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-H+NaCOOH"	66.980151
"122332"	469.127102	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+2Cl"	69.938804
"564078"	686.205952	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+2Cl"	69.938804
"1031788"	252.048252	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2Cl"	69.938804
"1249177"	513.076585	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Br"	78.918885
"1311989"	515.132572	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Cl+HCOOH"	80.974872
"1331315"	537.114529	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Cl+NaCOOH"	102.956829
"921280"	547.143286	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M-H+CF3COOH"	112.985586
"1293615"	583.119964	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Cl+CF3COOH"	148.962264
"1375056"	399.145024	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H-2H2O"	-35.012676
"1386353"	417.155	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H-H2O"	-17.0027
"285312"	869.322676	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+H"	1.007276
"679190"	1303.480376	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+H"	1.007276
"1353719"	435.164976	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H"	1.007276
"129884"	435.164976	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+2H"	2.014552
"580635"	652.243826	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+2H"	2.014552
"1045544"	218.086126	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2H"	2.014552
"209070"	290.445742666667	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+3H"	3.021828
"648628"	435.164976	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+3H"	3.021828
"1163471"	145.726509333333	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+3H"	3.021828
"426746"	886.349223	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+NH4"	18.033823
"789929"	1320.506923	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+NH4"	18.033823
"1682979"	452.191523	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+NH4"	18.033823
"337818"	443.6782495	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+H+NH4"	19.041099
"723798"	660.7570995	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+H+NH4"	19.041099
"1478224"	226.5993995	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H+NH4"	19.041099
"395084"	891.304618	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+Na"	22.989218
"756079"	1325.462318	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+Na"	22.989218
"1610740"	457.146918	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Na"	22.989218
"320775"	446.155947	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+H+Na"	23.996494
"717569"	663.234797	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+H+Na"	23.996494
"1463742"	229.077097	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H+Na"	23.996494
"1060267"	153.053823333333	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2H+Na"	25.00377
"1259759"	467.191186	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+CH3OH+H"	33.033486
"385993"	907.278558	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+K"	38.963158
"746988"	1341.436258	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+K"	38.963158
"1543573"	473.120858	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+K"	38.963158
"304027"	454.142917	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+H+K"	39.970434
"698636"	671.221767	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+H+K"	39.970434
"1454641"	237.064067	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H+K"	39.970434
"246526"	910.349226	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+ACN+H"	42.033826
"1221419"	476.191526	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+ACN+H"	42.033826
"1199836"	238.599401	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+ACN+2H"	43.041102
"199267"	913.28656	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+2Na-H"	44.97116
"638827"	1347.44426	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+2Na-H"	44.97116
"1133219"	479.12886	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2Na-H"	44.97116
"174691"	457.146918	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+2Na"	45.978436
"616438"	674.225768	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+2Na"	45.978436
"1116177"	240.068068	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2Na"	45.978436
"1400313"	160.381137333333	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H+2Na"	46.985712
"1438871"	481.170446	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H+HCOOH"	47.012746
"220427"	462.17994	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+3H2O+2H"	56.04448
"1513351"	495.22249	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+IsoProp+H"	61.06479
"410851"	465.133888	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+Na+K"	61.952376
"772939"	682.212738	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+Na+K"	61.952376
"1672548"	248.055038	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Na+K"	61.952376
"251657"	932.331168	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+ACN+Na"	64.015768
"1225950"	498.173468	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+ACN+Na"	64.015768
"1713737"	498.196993	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+NH4+HCOOH"	64.039293
"1181646"	167.708451333333	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+3Na"	68.967654
"1651903"	503.152388	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Na+HCOOH"	68.994688
"162773"	945.23444	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+2K-H"	76.91904
"598327"	1379.39214	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+2K-H"	76.91904
"1089033"	511.07674	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2K-H"	76.91904
"144768"	473.120858	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"2M+2K"	77.926316
"582143"	690.199708	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"3M+2K"	77.926316
"1071028"	256.042008	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2K"	77.926316
"1110802"	513.091292	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2K+H"	78.933592
"1336493"	513.178907	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+DMSO+H"	79.021207
"1020222"	517.218076	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2ACN+H"	83.060376
"1539565"	518.211708	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+IsoProp+Na+H"	84.054008
"1004796"	259.112676	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+2ACN+2H"	84.067652
"1602618"	519.126328	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+K+HCOOH"	84.968628
"1428118"	549.157838	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+H+CF3COOH"	115.000138
"1160593"	279.625951	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+3ACN+2H"	125.094202
"1712217"	566.184385	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+NH4+CF3COOH"	132.026685
"1649645"	571.13978	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+Na+CF3COOH"	136.98208
"1586911"	587.11372	"C09469"	"Graminiliatrin"	"C22H26O9"	"434.1577"	"M+K+CF3COOH"	152.95602
"813995"	264.1362	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M"	0
"980966"	245.11781	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"64832"	175.083524	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"504757"	263.128924	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"886567"	87.038124	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"6242"	263.128924	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"450179"	395.197024	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"824703"	131.060824	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"91257"	527.265124	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"528628"	791.401324	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"907530"	263.128924	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"59353"	544.291671	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"494902"	808.427871	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"871976"	280.155471	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"42429"	549.247066	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"479071"	813.383266	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"853594"	285.110866	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1627501"	285.110866	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"102937"	281.117263	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"542497"	413.185363	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"932730"	149.049163	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"274570"	563.241802	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"664802"	827.378002	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1287053"	299.105602	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"26327"	565.221006	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"469170"	829.357206	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"846613"	301.084806	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1567182"	301.084806	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"955796"	309.134394	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"374740"	573.270601	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"359349"	587.286251	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1505997"	323.150051	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"971716"	331.116351	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"122806"	299.105602	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"563824"	431.173702	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1028618"	167.037502	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1247100"	343.055085	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1309551"	345.111072	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1328145"	367.093029	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"918110"	377.121786	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1295912"	413.098464	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1371886"	229.123524	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1384274"	247.1335	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"284328"	529.279676	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"678208"	793.415876	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1353100"	265.143476	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"128173"	265.143476	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"576855"	397.211576	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1043467"	133.075376	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"210273"	177.098076	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"646915"	265.143476	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1162931"	89.052676	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"427949"	546.306223	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"790039"	810.442423	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1683089"	282.170023	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"339021"	273.6567495	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"728161"	405.7248495	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1481980"	141.5886495	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"397381"	551.261618	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"762749"	815.397818	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1609755"	287.125418	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"327445"	276.134447	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"717679"	408.202547	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1468225"	144.066347	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1057096"	96.37999	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1260962"	297.169686	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"386103"	567.235558	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"744911"	831.371758	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1543681"	303.099358	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"307416"	284.121417	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"703118"	416.189517	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1454751"	152.053317	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"248823"	570.306226	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1224812"	306.170026	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1205414"	153.588651	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"201565"	573.24356	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"641125"	837.37976	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1140258"	309.10736	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"181362"	287.125418	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"620922"	419.193518	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1117625"	155.057318	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1399328"	103.707304	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1438981"	311.148946	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"220902"	292.15844	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1513461"	325.20099	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"414241"	295.112388	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"774142"	427.180488	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1673752"	163.044288	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"252983"	592.288168	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1228609"	328.151968	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1714944"	328.175493	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1185037"	111.034618	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1656024"	333.130888	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"166165"	605.19144	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"602446"	869.32764	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1091330"	341.05524	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"144878"	303.099358	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"585533"	435.167458	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1070773"	171.031258	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1105441"	343.069792	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1336721"	343.157407	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1011443"	347.196576	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1529577"	348.190208	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"992746"	174.101926	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1588094"	349.104828	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1418376"	379.136338	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1160699"	194.615201	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1704780"	396.162885	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1640430"	401.11828	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1577177"	417.09222	"C09470"	"Granilin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"810825"	288.0998	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M"	0
"978889"	269.08141	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-H2O-H"	-19.01839
"68223"	191.059257333333	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M-3H"	-3.021828
"508875"	287.092524	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M-3H"	-3.021828
"887770"	95.0259906666667	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-3H"	-3.021828
"6352"	287.092524	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M-2H"	-2.014552
"448103"	431.142424	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M-2H"	-2.014552
"823720"	143.042624	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-2H"	-2.014552
"90274"	575.192324	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M-H"	-1.007276
"528738"	863.292124	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M-H"	-1.007276
"908004"	287.092524	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-H"	-1.007276
"56546"	592.218871	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M-2H+NH4"	16.019271
"495012"	880.318671	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M-2H+NH4"	16.019271
"870626"	304.119071	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-2H+NH4"	16.019271
"42903"	597.174266	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M-2H+Na"	20.974666
"479181"	885.274066	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M-2H+Na"	20.974666
"853704"	309.074466	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-2H+Na"	20.974666
"1627611"	309.074466	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Na-2H"	20.974666
"104140"	305.080863	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M-H+Cl"	33.962126
"541513"	449.130763	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M-H+Cl"	33.962126
"932840"	161.030963	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-H+Cl"	33.962126
"274680"	611.169002	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+Cl"	34.969402
"666369"	899.268802	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+Cl"	34.969402
"1286070"	323.069202	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Cl"	34.969402
"26437"	613.148206	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M-2H+K"	36.948606
"469280"	901.248006	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M-2H+K"	36.948606
"847451"	325.048406	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-2H+K"	36.948606
"1568385"	325.048406	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+K-2H"	36.948606
"956270"	333.097994	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-H+HCOOH"	44.998194
"375214"	621.197801	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+HCOOH-H"	44.998201
"359460"	635.213451	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+Hac-H"	59.013851
"1506474"	347.113651	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Hac-H"	59.013851
"971824"	355.079951	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-H+NaCOOH"	66.980151
"120364"	323.069202	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+2Cl"	69.938804
"563206"	467.119102	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+2Cl"	69.938804
"1028728"	179.019302	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2Cl"	69.938804
"1250488"	367.018685	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Br"	78.918885
"1309661"	369.074672	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Cl+HCOOH"	80.974872
"1332263"	391.056629	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Cl+NaCOOH"	102.956829
"921499"	401.085386	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M-H+CF3COOH"	112.985586
"1296022"	437.062064	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Cl+CF3COOH"	148.962264
"1368716"	253.087124	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H-2H2O"	-35.012676
"1387302"	271.0971	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H-H2O"	-17.0027
"285896"	577.206876	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+H"	1.007276
"679411"	865.306676	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+H"	1.007276
"1355757"	289.107076	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H"	1.007276
"127674"	289.107076	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+2H"	2.014552
"576965"	433.156976	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+2H"	2.014552
"1043577"	145.057176	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2H"	2.014552
"209290"	193.073809333333	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+3H"	3.021828
"647025"	289.107076	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+3H"	3.021828
"1163082"	97.0405426666667	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+3H"	3.021828
"426966"	594.233423	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+NH4"	18.033823
"789056"	882.333223	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+NH4"	18.033823
"1684292"	306.133623	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+NH4"	18.033823
"339131"	297.6203495	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+H+NH4"	19.041099
"726084"	441.6702495	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+H+NH4"	19.041099
"1478080"	153.5704495	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H+NH4"	19.041099
"396398"	599.188818	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+Na"	22.989218
"758486"	887.288618	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+Na"	22.989218
"1607680"	311.089018	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Na"	22.989218
"322089"	300.098047	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+H+Na"	23.996494
"714508"	444.147947	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+H+Na"	23.996494
"1468330"	156.048147	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H+Na"	23.996494
"1054651"	104.367856666667	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2H+Na"	25.00377
"1259979"	321.133286	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+CH3OH+H"	33.033486
"384026"	615.162758	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+K"	38.963158
"741741"	903.262558	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+K"	38.963158
"1542698"	327.062958	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+K"	38.963158
"304247"	308.085017	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+H+K"	39.970434
"698854"	452.134917	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+H+K"	39.970434
"1453769"	164.035117	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H+K"	39.970434
"246746"	618.233426	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+ACN+H"	42.033826
"1221640"	330.133626	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+ACN+H"	42.033826
"1207711"	165.570451	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+ACN+2H"	43.041102
"202404"	621.17076	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+2Na-H"	44.97116
"641236"	909.27056	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+2Na-H"	44.97116
"1138182"	333.07096	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2Na-H"	44.97116
"183660"	311.089018	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+2Na"	45.978436
"615565"	455.138918	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+2Na"	45.978436
"1116153"	167.039118	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2Na"	45.978436
"1400776"	111.695170666667	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H+2Na"	46.985712
"1440184"	335.112546	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H+HCOOH"	47.012746
"221621"	316.12204	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+3H2O+2H"	56.04448
"1513571"	349.16459	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+IsoProp+H"	61.06479
"414351"	319.075988	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+Na+K"	61.952376
"778626"	463.125888	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+Na+K"	61.952376
"1674955"	175.026088	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Na+K"	61.952376
"252730"	640.215368	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+ACN+Na"	64.015768
"1230906"	352.115568	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+ACN+Na"	64.015768
"1714327"	352.139093	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+NH4+HCOOH"	64.039293
"1188428"	119.022484666667	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+3Na"	68.967654
"1656134"	357.094488	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Na+HCOOH"	68.994688
"169555"	653.11864	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+2K-H"	76.91904
"600368"	941.21844	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+2K-H"	76.91904
"1089255"	365.01884	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2K-H"	76.91904
"146081"	327.062958	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"2M+2K"	77.926316
"588923"	471.112858	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"3M+2K"	77.926316
"1076715"	183.013058	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2K"	77.926316
"1105551"	367.033392	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2K+H"	78.933592
"1338653"	367.121007	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+DMSO+H"	79.021207
"1009731"	371.160176	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2ACN+H"	83.060376
"1529680"	372.153808	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+IsoProp+Na+H"	84.054008
"992850"	186.083726	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+2ACN+2H"	84.067652
"1587717"	373.068428	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+K+HCOOH"	84.968628
"1414714"	403.099938	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+H+CF3COOH"	115.000138
"1161173"	206.597001	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+3ACN+2H"	125.094202
"1704890"	420.126485	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+NH4+CF3COOH"	132.026685
"1639447"	425.08188	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+Na+CF3COOH"	136.98208
"1577287"	441.05582	"C09471"	"Asebogenin;Phloretin 4-methyl ether"	"C16H16O5"	"288.0998"	"M+K+CF3COOH"	152.95602
"810935"	262.1205	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M"	0
"981186"	243.10211	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"68333"	173.739724	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"507892"	261.113224	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"886787"	86.366224	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"7555"	261.113224	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"450765"	392.173474	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"827110"	130.052974	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"92206"	523.233724	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"528484"	785.354224	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"907385"	261.113224	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"58479"	540.260271	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"494027"	802.380771	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"870736"	278.139771	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"43012"	545.215666	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"478197"	807.336166	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"854907"	283.095166	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1625534"	283.095166	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"104979"	279.101563	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"542716"	410.161813	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"931857"	148.041313	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"274790"	559.210402	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"667208"	821.330902	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1286182"	297.089902	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"27640"	561.189606	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"469390"	823.310106	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"848452"	299.069106	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1567402"	299.069106	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"956375"	307.118694	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"374596"	569.239201	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"358478"	583.254851	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1506583"	321.134351	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"971205"	329.100651	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"121568"	297.089902	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"562585"	428.150152	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1028838"	166.029652	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1248411"	341.039385	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1309771"	343.095372	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1329456"	365.077329	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"919423"	375.106086	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1298319"	411.082764	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1368826"	227.107824	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1384132"	245.1178	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"283575"	525.248276	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"679521"	787.368776	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1354044"	263.127776	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"128755"	263.127776	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"577075"	394.188026	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1043687"	132.067526	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"209764"	175.754276	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"647864"	263.127776	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1164898"	88.380776	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"430356"	542.274823	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"790259"	804.395323	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1684402"	280.154323	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"339241"	271.6410495	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"726194"	402.7012995	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1477827"	140.5807995	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"396508"	547.230218	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"758596"	809.350718	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1608154"	285.109718	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"323292"	274.118747	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"713525"	405.178997	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1469533"	143.058497	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1056219"	95.70809	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1260817"	295.153986	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"384135"	563.204158	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"744036"	825.324658	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1543901"	301.083658	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"302535"	282.105717	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"697870"	413.165967	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1449504"	151.045467	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"241388"	566.274826	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1218470"	304.154326	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1205634"	152.580801	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"201784"	569.21216	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"642074"	831.33266	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1132457"	307.09166	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"173320"	285.109718	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"613120"	416.169968	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1116015"	154.049468	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1401250"	103.035404	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1434825"	309.133246	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"222702"	290.14274	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1513681"	323.18529	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"416647"	293.096688	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"778736"	424.156938	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1675065"	162.036438	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"254299"	588.256768	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1232110"	326.136268	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1723183"	326.159793	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1185258"	110.362718	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1659524"	331.115188	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"166385"	601.16004	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"600478"	863.28054	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1090457"	339.03954	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"145098"	301.083658	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"594500"	432.143908	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1076825"	170.023408	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1105661"	341.054092	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1339491"	341.141707	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1011663"	345.180876	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1528697"	346.174508	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"994053"	173.094076	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1587949"	347.089128	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1414706"	377.120638	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1160919"	193.607351	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1705000"	394.147185	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1639557"	399.10258	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1577397"	415.07652	"C09472"	"Grosshemin"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"807765"	262.1205	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M"	0
"979109"	243.10211	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"69536"	173.739724	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"506911"	261.113224	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"889085"	86.366224	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"4385"	261.113224	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"447229"	392.173474	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"823940"	130.052974	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"90129"	523.233724	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"523491"	785.354224	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"903486"	261.113224	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"56402"	540.260271	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"495961"	802.380771	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"872671"	278.139771	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"40571"	545.215666	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"479402"	807.336166	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"853924"	283.095166	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1623457"	283.095166	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"102176"	279.101563	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"546112"	410.161813	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"937437"	148.041313	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"280005"	559.210402	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"666228"	821.330902	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1286292"	297.089902	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"25563"	561.189606	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"469500"	823.310106	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"844023"	299.069106	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1568605"	299.069106	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"955392"	307.118694	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"372513"	569.239201	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"359317"	583.254851	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1506694"	321.134351	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"970951"	329.100651	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"122410"	297.089902	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"561237"	428.150152	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1031139"	166.029652	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1250715"	341.039385	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1313163"	343.095372	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1329566"	365.077329	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"921721"	375.106086	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1298430"	411.082764	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1372217"	227.107824	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1383876"	245.1178	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"285020"	525.248276	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"679631"	787.368776	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1354156"	263.127776	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"128501"	263.127776	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"577186"	394.188026	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1047079"	132.067526	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"211697"	175.754276	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"647974"	263.127776	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1169382"	88.380776	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"430466"	542.274823	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"791463"	804.395323	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1692167"	280.154323	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"342631"	271.6410495	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"726304"	402.7012995	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1481218"	140.5807995	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"397711"	547.230218	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"761986"	809.350718	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1608993"	285.109718	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"326318"	274.118747	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"714728"	405.178997	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1471829"	143.058497	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1058516"	95.70809	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1259470"	295.153986	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"378777"	563.204158	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"740499"	825.324658	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1544010"	301.083658	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"304465"	282.105717	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"699074"	413.165967	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1453988"	151.045467	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"243686"	566.274826	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1220767"	304.154326	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1198091"	152.580801	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"200801"	569.21216	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"635988"	831.33266	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1132205"	307.09166	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"175132"	285.109718	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"613962"	416.169968	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1116005"	154.049468	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1402088"	103.035404	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1432748"	309.133246	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"223543"	290.14274	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1517071"	323.18529	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"414570"	293.096688	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"775567"	424.156938	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1676272"	162.036438	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"258419"	588.256768	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1237323"	326.136268	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1724387"	326.159793	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1188648"	110.362718	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1662187"	331.115188	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"165403"	601.16004	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"600588"	863.28054	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1091660"	339.03954	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"145208"	301.083658	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"593517"	432.143908	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1076935"	170.023408	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1105771"	341.054092	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1338875"	341.141707	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1010683"	345.180876	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1528809"	346.174508	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"993070"	173.094076	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1587328"	347.089128	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1414815"	377.120638	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1157746"	193.607351	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1705110"	394.147185	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1639667"	399.10258	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1577507"	415.07652	"C09473"	"Helenalin"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"811155"	362.1729	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M"	0
"979219"	343.15451	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"69646"	240.441324	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"507021"	361.165624	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"889195"	119.717024	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"4488"	361.165624	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"447339"	542.252074	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"822953"	180.079174	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"89509"	723.338524	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"525787"	1085.511424	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"907970"	361.165624	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"58334"	740.365071	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"497529"	1102.537971	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"872781"	378.192171	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"42867"	745.320466	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"480604"	1107.493366	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"858041"	383.147566	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1626846"	383.147566	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"103378"	379.153963	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"544034"	560.240413	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"936453"	198.067513	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"278292"	759.315202	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"669980"	1121.488102	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1286521"	397.142302	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"21660"	761.294406	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"468516"	1123.467306	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"846564"	399.121506	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1569323"	399.121506	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"956111"	407.171094	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"373717"	769.344001	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"361009"	783.359651	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1507897"	421.186751	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"971425"	429.153051	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"122154"	397.142302	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"559890"	578.228752	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1036350"	216.055852	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1246814"	441.091785	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1309993"	443.147772	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1324209"	465.129729	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"924017"	475.158486	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1299633"	511.135164	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1372327"	327.160224	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1385445"	345.1702	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"286953"	725.353076	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"679374"	1087.525976	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1353902"	363.180176	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"129704"	363.180176	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"579482"	544.266626	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1049375"	182.093726	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"213993"	242.455876	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"649177"	363.180176	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1171678"	121.731576	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"430576"	742.379623	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"792666"	1104.552523	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1691184"	380.206723	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"342741"	371.6934495	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"726414"	552.7798995	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1481328"	190.6069995	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"396728"	747.335018	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"765376"	1109.507918	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1610195"	385.162118	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"329345"	374.171147	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"718120"	555.257597	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1474128"	193.084697	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1061906"	129.05889	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1272293"	395.206386	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"381071"	763.308958	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"741339"	1125.481858	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1544120"	401.136058	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"307856"	382.158117	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"699184"	563.244567	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1451911"	201.071667	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"244888"	766.379626	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1223067"	404.206726	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1204762"	202.607001	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"199818"	769.31696	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"635005"	1131.48986	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1133167"	407.14406	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"177430"	385.162118	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"615895"	566.248568	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1116359"	204.075668	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1403658"	136.386204	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1433587"	409.185646	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"222922"	390.19514	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1513901"	423.23769	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"414681"	393.149088	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"776771"	574.235538	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1675289"	212.062638	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"257435"	788.361568	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1234517"	426.188668	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1724132"	426.212193	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1188758"	143.713518	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1662661"	431.167588	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"166607"	801.26484	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"601791"	1163.43774	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1093957"	439.09194	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"146411"	401.136058	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"585972"	582.222508	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1077045"	220.049608	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1103694"	441.106492	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1338253"	441.194107	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1007513"	445.233276	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1528920"	446.226908	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"994272"	223.120276	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1587194"	447.141528	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1416628"	477.173038	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1161136"	243.633551	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1708500"	494.199585	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1640870"	499.15498	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1577617"	515.12892	"C09474"	"Heliangin"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"811265"	420.1784	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M"	0
"979329"	401.16001	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-H2O-H"	-19.01839
"65018"	279.111657333333	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M-3H"	-3.021828
"507131"	419.171124	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M-3H"	-3.021828
"889305"	139.052190666667	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-3H"	-3.021828
"2776"	419.171124	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M-2H"	-2.014552
"444525"	629.260324	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M-2H"	-2.014552
"821970"	209.081924	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-2H"	-2.014552
"91806"	839.349524	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M-H"	-1.007276
"526991"	1259.527924	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M-H"	-1.007276
"908080"	419.171124	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-H"	-1.007276
"58808"	856.376071	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M-2H+NH4"	16.019271
"497638"	1276.554471	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M-2H+NH4"	16.019271
"875441"	436.197671	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-2H+NH4"	16.019271
"44434"	861.331466	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M-2H+Na"	20.974666
"480714"	1281.509866	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M-2H+Na"	20.974666
"857422"	441.153066	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-2H+Na"	20.974666
"1624768"	441.153066	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Na-2H"	20.974666
"105674"	437.159463	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M-H+Cl"	33.962126
"544143"	647.248663	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M-H+Cl"	33.962126
"938749"	227.070263	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-H+Cl"	33.962126
"276215"	875.326202	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+Cl"	34.969402
"668267"	1295.504602	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+Cl"	34.969402
"1282134"	455.147802	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Cl"	34.969402
"22499"	877.305406	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M-2H+K"	36.948606
"467167"	1297.483806	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M-2H+K"	36.948606
"844241"	457.127006	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-2H+K"	36.948606
"1568826"	457.127006	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+K-2H"	36.948606
"952330"	465.176594	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-H+HCOOH"	44.998194
"368359"	885.355001	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+HCOOH-H"	44.998201
"356253"	899.370651	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+Hac-H"	59.013851
"1506908"	479.192251	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Hac-H"	59.013851
"964244"	487.158551	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-H+NaCOOH"	66.980151
"117524"	455.147802	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+2Cl"	69.938804
"557083"	665.237002	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+2Cl"	69.938804
"1029169"	245.058602	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2Cl"	69.938804
"1247653"	499.097285	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Br"	78.918885
"1310103"	501.153272	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Cl+HCOOH"	80.974872
"1326506"	523.135229	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Cl+NaCOOH"	102.956829
"924127"	533.163986	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M-H+CF3COOH"	112.985586
"1299743"	569.140664	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Cl+CF3COOH"	148.962264
"1373529"	385.165724	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H-2H2O"	-35.012676
"1387742"	403.1757	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H-H2O"	-17.0027
"286335"	841.364076	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+H"	1.007276
"677054"	1261.542476	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+H"	1.007276
"1354012"	421.185676	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H"	1.007276
"126048"	421.185676	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+2H"	2.014552
"578499"	631.274876	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+2H"	2.014552
"1048392"	211.096476	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2H"	2.014552
"211916"	281.126209333333	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+3H"	3.021828
"648194"	421.185676	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+3H"	3.021828
"1171788"	141.066742666667	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+3H"	3.021828
"430686"	858.390623	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+NH4"	18.033823
"788764"	1278.569023	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+NH4"	18.033823
"1692387"	438.212223	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+NH4"	18.033823
"342851"	429.6989495	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+H+NH4"	19.041099
"726524"	639.7881495	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+H+NH4"	19.041099
"1482531"	219.6097495	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H+NH4"	19.041099
"397930"	863.346018	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+Na"	22.989218
"760018"	1283.524418	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+Na"	22.989218
"1608119"	443.167618	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Na"	22.989218
"324715"	432.176647	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+H+Na"	23.996494
"716042"	642.265847	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+H+Na"	23.996494
"1469864"	222.087447	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H+Na"	23.996494
"1062017"	148.394056666667	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2H+Na"	25.00377
"1269163"	453.211886	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+CH3OH+H"	33.033486
"378628"	879.319958	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+K"	38.963158
"745456"	1299.498358	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+K"	38.963158
"1551882"	459.141558	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+K"	38.963158
"306873"	440.163617	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+H+K"	39.970434
"699294"	650.252817	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+H+K"	39.970434
"1453114"	230.074417	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H+K"	39.970434
"242811"	882.390626	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+ACN+H"	42.033826
"1219895"	462.212226	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+ACN+H"	42.033826
"1199404"	231.609751	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+ACN+2H"	43.041102
"192274"	885.32796	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+2Na-H"	44.97116
"635115"	1305.50636	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+2Na-H"	44.97116
"1135342"	465.14956	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2Na-H"	44.97116
"173527"	443.167618	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+2Na"	45.978436
"613817"	653.256818	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+2Na"	45.978436
"1116103"	233.078418	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2Na"	45.978436
"1403768"	155.721370666667	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H+2Na"	46.985712
"1432968"	467.191146	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H+HCOOH"	47.012746
"222668"	448.20064	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+3H2O+2H"	56.04448
"1514011"	481.24319	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+IsoProp+H"	61.06479
"414791"	451.154588	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+Na+K"	61.952376
"776881"	661.243788	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+Na+K"	61.952376
"1674305"	241.065388	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Na+K"	61.952376
"256451"	904.372568	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+ACN+Na"	64.015768
"1234627"	484.194168	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+ACN+Na"	64.015768
"1724242"	484.217693	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+NH4+HCOOH"	64.039293
"1188868"	163.048684666667	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+3Na"	68.967654
"1664228"	489.173088	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Na+HCOOH"	68.994688
"166717"	917.27584	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+2K-H"	76.91904
"600808"	1337.45424	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+2K-H"	76.91904
"1094068"	497.09744	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2K-H"	76.91904
"146521"	459.141558	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"2M+2K"	77.926316
"586082"	669.230758	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"3M+2K"	77.926316
"1077155"	249.052358	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2K"	77.926316
"1103804"	499.111992	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2K+H"	78.933592
"1337999"	499.199607	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+DMSO+H"	79.021207
"1008716"	503.238776	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2ACN+H"	83.060376
"1530123"	504.232408	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+IsoProp+Na+H"	84.054008
"993289"	252.123026	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+2ACN+2H"	84.067652
"1587145"	505.147028	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+K+HCOOH"	84.968628
"1416738"	535.178538	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+H+CF3COOH"	115.000138
"1160153"	272.636301	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+3ACN+2H"	125.094202
"1708610"	552.205085	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+NH4+CF3COOH"	132.026685
"1640980"	557.16048	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+Na+CF3COOH"	136.98208
"1577727"	573.13442	"C09475"	"Hiyodorilactone A"	"C22H28O8"	"420.1784"	"M+K+CF3COOH"	152.95602
"811375"	246.1256	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M"	0
"979439"	227.10721	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"65857"	163.076457333333	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"512708"	245.118324	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"889415"	81.0345906666667	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"1429"	245.118324	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"443178"	368.181124	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"822080"	122.055524	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"93254"	491.243924	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"530381"	737.369524	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"902718"	245.118324	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"57096"	508.270471	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"494468"	754.396071	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"873365"	262.144871	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"42358"	513.225866	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"480824"	759.351466	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"857533"	267.100266	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1627066"	267.100266	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"105785"	263.106663	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"542067"	386.169463	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"937766"	140.043863	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"275229"	527.220602	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"666556"	773.346202	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1284431"	281.095002	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"22610"	529.199806	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"463268"	775.325406	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"843258"	283.074206	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1567475"	283.074206	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"950253"	291.123794	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"368469"	537.249401	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"350167"	551.265051	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1502645"	305.139451	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"964354"	313.105751	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"116540"	281.095002	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"558287"	404.157802	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1029279"	158.032202	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1246669"	325.044485	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1312399"	327.100472	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1328439"	349.082429	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"918770"	359.111186	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1296573"	395.087864	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1368536"	211.112924	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1384571"	229.1229	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"286444"	493.258476	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"677042"	739.384076	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1355216"	247.132876	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"125826"	247.132876	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"574236"	370.195676	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1046317"	124.070076	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"212028"	165.091009333333	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"649765"	247.132876	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1176274"	83.0491426666667	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"431162"	510.285023	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"788148"	756.410623	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1692498"	264.159423	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"335309"	255.6461495	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"725905"	378.7089495	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1481548"	132.5833495	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"398406"	515.240418	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"759400"	761.366018	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1606772"	269.114818	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"320453"	258.123847	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"709958"	381.186647	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1465601"	135.061047	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1057753"	90.3764566666667	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1264900"	279.159086	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"382388"	531.214358	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"744474"	777.339958	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1549806"	285.088758	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"306982"	266.110817	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"701591"	389.173617	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1453224"	143.048017	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"241827"	534.285026	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1216725"	288.159426	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1198421"	144.583351	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"193479"	537.22236	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"635225"	783.34796	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1135452"	291.09676	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"173229"	269.114818	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"613199"	392.177618	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1115801"	146.052018	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1403149"	97.7037706666667	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1437454"	293.138346	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"227155"	274.14784	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1516311"	307.19039	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"414902"	277.101788	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"772981"	400.164588	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1676602"	154.038988	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"256562"	556.266968	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1230365"	310.141368	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1717064"	310.164893	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1184606"	105.031084666667	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1651217"	315.120288	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"158200"	569.17024	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"599097"	815.29584	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1093085"	323.04464	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"147724"	285.088758	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"586192"	408.151558	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1077265"	162.025958	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1103915"	325.059192	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1336894"	325.146807	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1006883"	329.185976	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1530234"	330.179608	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"998868"	165.096626	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1589359"	331.094228	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1417212"	361.125738	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1160263"	185.609901	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1708720"	378.152285	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1642183"	383.10768	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1577837"	399.08162	"C09476"	"7alpha-Hydroxydehydrocostus lactone"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"808204"	378.1315	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M"	0
"978454"	359.11311	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-H2O-H"	-19.01839
"71070"	251.080390666667	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M-3H"	-3.021828
"515005"	377.124224	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M-3H"	-3.021828
"884059"	125.036557333333	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-3H"	-3.021828
"570"	377.124224	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M-2H"	-2.014552
"441345"	566.189974	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M-2H"	-2.014552
"828751"	188.058474	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-2H"	-2.014552
"93120"	755.255724	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M-H"	-1.007276
"533533"	1133.387224	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M-H"	-1.007276
"902829"	377.124224	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-H"	-1.007276
"56112"	772.282271	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M-2H+NH4"	16.019271
"496766"	1150.413771	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M-2H+NH4"	16.019271
"878579"	394.150771	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-2H+NH4"	16.019271
"39187"	777.237666	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M-2H+Na"	20.974666
"480935"	1155.369166	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M-2H+Na"	20.974666
"860927"	399.106166	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-2H+Na"	20.974666
"1633740"	399.106166	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Na-2H"	20.974666
"108449"	395.112563	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M-H+Cl"	33.962126
"546188"	584.178313	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M-H+Cl"	33.962126
"937879"	206.046813	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-H+Cl"	33.962126
"278622"	791.232402	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+Cl"	34.969402
"667762"	1169.363902	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+Cl"	34.969402
"1281261"	413.100902	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Cl"	34.969402
"23816"	793.211606	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M-2H+K"	36.948606
"463378"	1171.343106	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M-2H+K"	36.948606
"844461"	415.080106	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-2H+K"	36.948606
"1561388"	415.080106	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+K-2H"	36.948606
"950363"	423.129694	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-H+HCOOH"	44.998194
"372226"	801.261201	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+HCOOH-H"	44.998201
"352461"	815.276851	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+Hac-H"	59.013851
"1501293"	437.145351	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Hac-H"	59.013851
"966652"	445.111651	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-H+NaCOOH"	66.980151
"113371"	413.100902	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+2Cl"	69.938804
"554024"	602.166652	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+2Cl"	69.938804
"1034859"	224.035152	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2Cl"	69.938804
"1250061"	457.050385	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Br"	78.918885
"1316520"	459.106372	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Cl+HCOOH"	80.974872
"1330006"	481.088329	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Cl+NaCOOH"	102.956829
"925441"	491.117086	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M-H+CF3COOH"	112.985586
"1298870"	527.093764	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Cl+CF3COOH"	148.962264
"1372657"	343.118824	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H-2H2O"	-35.012676
"1386143"	361.1288	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H-H2O"	-17.0027
"285828"	757.270276	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+H"	1.007276
"676181"	1135.401776	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+H"	1.007276
"1353141"	379.138776	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H"	1.007276
"129308"	379.138776	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+2H"	2.014552
"575439"	568.204526	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+2H"	2.014552
"1049710"	190.073026	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2H"	2.014552
"213233"	253.094942666667	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+3H"	3.021828
"650605"	379.138776	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+3H"	3.021828
"1175291"	127.051109333333	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+3H"	3.021828
"434189"	774.296823	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+NH4"	18.033823
"795185"	1152.428323	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+NH4"	18.033823
"1692608"	396.165323	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+NH4"	18.033823
"335418"	387.6520495	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+H+NH4"	19.041099
"726015"	576.7177995	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+H+NH4"	19.041099
"1482022"	198.5862995	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H+NH4"	19.041099
"398152"	779.252218	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+Na"	22.989218
"758417"	1157.383718	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+Na"	22.989218
"1606517"	401.120718	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Na"	22.989218
"319470"	390.129747	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+H+Na"	23.996494
"709338"	579.195497	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+H+Na"	23.996494
"1461859"	201.063997	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H+Na"	23.996494
"1057864"	134.378423333333	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2H+Na"	25.00377
"1265010"	411.164986	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+CH3OH+H"	33.033486
"382498"	795.226158	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+K"	38.963158
"741304"	1173.357658	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+K"	38.963158
"1549916"	417.094658	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+K"	38.963158
"304906"	398.116717	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+H+K"	39.970434
"700608"	587.182467	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+H+K"	39.970434
"1452241"	209.050967	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H+K"	39.970434
"241937"	798.296826	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+ACN+H"	42.033826
"1214647"	420.165326	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+ACN+H"	42.033826
"1194804"	210.586301	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+ACN+2H"	43.041102
"194682"	801.23416	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+2Na-H"	44.97116
"632057"	1179.36566	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+2Na-H"	44.97116
"1132523"	423.10266	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2Na-H"	44.97116
"177758"	401.120718	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+2Na"	45.978436
"615374"	590.186468	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+2Na"	45.978436
"1115716"	212.054968	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2Na"	45.978436
"1402895"	141.705737333333	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H+2Na"	46.985712
"1437564"	425.144246	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H+HCOOH"	47.012746
"227266"	406.15374	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+3H2O+2H"	56.04448
"1520795"	439.19629	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+IsoProp+H"	61.06479
"412827"	409.107688	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+Na+K"	61.952376
"776008"	598.173438	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+Na+K"	61.952376
"1675253"	220.041938	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Na+K"	61.952376
"255579"	820.278768	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+ACN+Na"	64.015768
"1231569"	442.147268	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+ACN+Na"	64.015768
"1720455"	442.170793	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+NH4+HCOOH"	64.039293
"1186904"	149.033051333333	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+3Na"	68.967654
"1652424"	447.126188	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Na+HCOOH"	68.994688
"159284"	833.18204	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+2K-H"	76.91904
"599937"	1211.31354	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+2K-H"	76.91904
"1085906"	455.05054	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2K-H"	76.91904
"147834"	417.094658	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"2M+2K"	77.926316
"586302"	606.160408	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"3M+2K"	77.926316
"1077375"	228.028908	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2K"	77.926316
"1106212"	457.065092	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2K+H"	78.933592
"1342596"	457.152707	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+DMSO+H"	79.021207
"1008938"	461.191876	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2ACN+H"	83.060376
"1531437"	462.185508	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+IsoProp+Na+H"	84.054008
"994605"	231.099576	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+2ACN+2H"	84.067652
"1589110"	463.100128	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+K+HCOOH"	84.968628
"1414769"	493.131638	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+H+CF3COOH"	115.000138
"1154905"	251.612851	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+3ACN+2H"	125.094202
"1705550"	510.158185	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+NH4+CF3COOH"	132.026685
"1641200"	515.11358	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+Na+CF3COOH"	136.98208
"1574666"	531.08752	"C09477"	"Hydroxyvernolide"	"C19H22O8"	"378.1315"	"M+K+CF3COOH"	152.95602
"808314"	450.1526	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M"	0
"974673"	431.13421	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-H2O-H"	-19.01839
"68993"	299.094457333333	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M-3H"	-3.021828
"511835"	449.145324	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M-3H"	-3.021828
"884169"	149.043590666667	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-3H"	-3.021828
"352"	449.145324	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M-2H"	-2.014552
"441212"	674.221624	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M-2H"	-2.014552
"822300"	224.069024	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-2H"	-2.014552
"81562"	899.297924	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M-H"	-1.007276
"531819"	1349.450524	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M-H"	-1.007276
"906218"	449.145324	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-H"	-1.007276
"54031"	916.324471	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M-2H+NH4"	16.019271
"499062"	1366.477071	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M-2H+NH4"	16.019271
"879055"	466.171871	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-2H+NH4"	16.019271
"39297"	921.279866	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M-2H+Na"	20.974666
"481045"	1371.432466	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M-2H+Na"	20.974666
"862134"	471.127266	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-2H+Na"	20.974666
"1633001"	471.127266	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Na-2H"	20.974666
"106007"	467.133663	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M-H+Cl"	33.962126
"543381"	692.209963	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M-H+Cl"	33.962126
"936895"	242.057363	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-H+Cl"	33.962126
"274357"	935.274602	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+Cl"	34.969402
"666778"	1385.427202	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+Cl"	34.969402
"1279183"	485.122002	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Cl"	34.969402
"21738"	937.253806	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M-2H+K"	36.948606
"464582"	1387.406406	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M-2H+K"	36.948606
"841291"	487.101206	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-2H+K"	36.948606
"1561498"	487.101206	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+K-2H"	36.948606
"946099"	495.150794	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-H+HCOOH"	44.998194
"370513"	945.303401	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+HCOOH-H"	44.998201
"350384"	959.319051	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+Hac-H"	59.013851
"1498122"	509.166451	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Hac-H"	59.013851
"967491"	517.132751	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-H+NaCOOH"	66.980151
"115668"	485.122002	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+2Cl"	69.938804
"551217"	710.198302	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+2Cl"	69.938804
"1036630"	260.045702	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2Cl"	69.938804
"1250171"	529.071485	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Br"	78.918885
"1316630"	531.127472	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Cl+HCOOH"	80.974872
"1329752"	553.109429	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Cl+NaCOOH"	102.956829
"925187"	563.138186	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M-H+CF3COOH"	112.985586
"1300073"	599.114864	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Cl+CF3COOH"	148.962264
"1372767"	415.139924	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H-2H2O"	-35.012676
"1385889"	433.1499	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H-H2O"	-17.0027
"285574"	901.312476	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+H"	1.007276
"675842"	1351.465076	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+H"	1.007276
"1356529"	451.159876	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H"	1.007276
"130511"	451.159876	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+2H"	2.014552
"576642"	676.236176	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+2H"	2.014552
"1050789"	226.083576	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2H"	2.014552
"213343"	301.109009333333	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+3H"	3.021828
"651808"	451.159876	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+3H"	3.021828
"1174308"	151.058142666667	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+3H"	3.021828
"434299"	918.339023	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+NH4"	18.033823
"795295"	1368.491623	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+NH4"	18.033823
"1689438"	468.186423	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+NH4"	18.033823
"337714"	459.6731495	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+H+NH4"	19.041099
"729041"	684.7494495	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+H+NH4"	19.041099
"1483955"	234.5968495	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H+NH4"	19.041099
"398626"	923.294418	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+Na"	22.989218
"759256"	1373.447018	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+Na"	22.989218
"1606627"	473.141818	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Na"	22.989218
"318487"	462.150847	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+H+Na"	23.996494
"711999"	687.227147	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+H+Na"	23.996494
"1465820"	237.074547	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H+Na"	23.996494
"1061254"	158.385456666667	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2H+Na"	25.00377
"1265120"	483.186086	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+CH3OH+H"	33.033486
"381511"	939.268358	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+K"	38.963158
"742509"	1389.420958	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+K"	38.963158
"1547840"	489.115758	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+K"	38.963158
"303924"	470.137817	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+H+K"	39.970434
"696345"	695.214117	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+H+K"	39.970434
"1453446"	245.061517	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H+K"	39.970434
"243140"	942.339026	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+ACN+H"	42.033826
"1215850"	492.186426	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+ACN+H"	42.033826
"1197549"	246.596851	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+ACN+2H"	43.041102
"195886"	945.27636	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+2Na-H"	44.97116
"631074"	1395.42896	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+2Na-H"	44.97116
"1132633"	495.12376	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2Na-H"	44.97116
"174830"	473.141818	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+2Na"	45.978436
"615242"	698.218118	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+2Na"	45.978436
"1115627"	248.065518	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2Na"	45.978436
"1403369"	165.712770666667	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H+2Na"	46.985712
"1437674"	497.165346	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H+HCOOH"	47.012746
"228470"	478.17484	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+3H2O+2H"	56.04448
"1520905"	511.21739	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+IsoProp+H"	61.06479
"418404"	481.128788	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+Na+K"	61.952376
"780492"	706.205088	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+Na+K"	61.952376
"1679009"	256.052488	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Na+K"	61.952376
"255689"	964.320968	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+ACN+Na"	64.015768
"1232773"	514.168368	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+ACN+Na"	64.015768
"1721658"	514.191893	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+NH4+HCOOH"	64.039293
"1188107"	173.040084666667	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+3Na"	68.967654
"1652533"	519.147288	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Na+HCOOH"	68.994688
"159394"	977.22424	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+2K-H"	76.91904
"598955"	1427.37684	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+2K-H"	76.91904
"1086381"	527.07164	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2K-H"	76.91904
"144296"	489.115758	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"2M+2K"	77.926316
"585318"	714.192058	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"3M+2K"	77.926316
"1074205"	264.039458	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2K"	77.926316
"1104134"	529.086192	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2K+H"	78.933592
"1342704"	529.173807	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+DMSO+H"	79.021207
"1006126"	533.212976	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2ACN+H"	83.060376
"1525349"	534.206608	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+IsoProp+Na+H"	84.054008
"994714"	267.110126	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+2ACN+2H"	84.067652
"1588491"	535.121228	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+K+HCOOH"	84.968628
"1414551"	565.152738	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+H+CF3COOH"	115.000138
"1155015"	287.623401	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+3ACN+2H"	125.094202
"1706753"	582.179285	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+NH4+CF3COOH"	132.026685
"1641310"	587.13468	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+Na+CF3COOH"	136.98208
"1578056"	603.10862	"C09478"	"Auriculoside;735-Trihydroxy-4-methoxyflavan 3-glucoside"	"C22H26O10"	"450.1526"	"M+K+CF3COOH"	152.95602
"814985"	328.0947	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M"	0
"980863"	309.07631	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-H2O-H"	-19.01839
"71291"	217.722524	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M-3H"	-3.021828
"509760"	327.087424	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M-3H"	-3.021828
"885374"	108.357624	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-3H"	-3.021828
"3951"	327.087424	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M-2H"	-2.014552
"451164"	491.134774	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M-2H"	-2.014552
"822405"	163.040074	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-2H"	-2.014552
"84588"	655.182124	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M-H"	-1.007276
"533023"	983.276824	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M-H"	-1.007276
"908396"	327.087424	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-H"	-1.007276
"55235"	672.208671	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M-2H+NH4"	16.019271
"494795"	1000.303371	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M-2H+NH4"	16.019271
"878196"	344.113971	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-2H+NH4"	16.019271
"41596"	677.164066	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M-2H+Na"	20.974666
"485898"	1005.258766	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M-2H+Na"	20.974666
"862246"	349.069366	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-2H+Na"	20.974666
"1633239"	349.069366	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Na-2H"	20.974666
"107210"	345.075763	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M-H+Cl"	33.962126
"546773"	509.123113	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M-H+Cl"	33.962126
"938099"	181.028413	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-H+Cl"	33.962126
"281155"	691.158802	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+Cl"	34.969402
"670171"	1019.253502	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+Cl"	34.969402
"1282575"	363.064102	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Cl"	34.969402
"25131"	693.138006	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M-2H+K"	36.948606
"465786"	1021.232706	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M-2H+K"	36.948606
"841401"	365.043306	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-2H+K"	36.948606
"1567805"	365.043306	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+K-2H"	36.948606
"952771"	373.092894	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-H+HCOOH"	44.998194
"367705"	701.187601	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+HCOOH-H"	44.998201
"351587"	715.203251	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+Hac-H"	59.013851
"1499326"	387.108551	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Hac-H"	59.013851
"965776"	395.074851	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-H+NaCOOH"	66.980151
"112496"	363.064102	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+2Cl"	69.938804
"554969"	527.111452	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+2Cl"	69.938804
"1036422"	199.016752	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2Cl"	69.938804
"1253562"	407.013585	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Br"	78.918885
"1316011"	409.069572	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Cl+HCOOH"	80.974872
"1330226"	431.051529	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Cl+NaCOOH"	102.956829
"924568"	441.080286	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M-H+CF3COOH"	112.985586
"1302008"	477.056964	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Cl+CF3COOH"	148.962264
"1373971"	293.082024	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H-2H2O"	-35.012676
"1384905"	311.092	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H-H2O"	-17.0027
"283862"	657.196676	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+H"	1.007276
"678105"	985.291376	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+H"	1.007276
"1355547"	329.101976	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H"	1.007276
"128435"	329.101976	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+2H"	2.014552
"572376"	493.149326	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+2H"	2.014552
"1051020"	165.054626	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2H"	2.014552
"213453"	219.737076	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+3H"	3.021828
"654104"	329.101976	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+3H"	3.021828
"1174418"	110.372176	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+3H"	3.021828
"433314"	674.223223	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+NH4"	18.033823
"796499"	1002.317923	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+NH4"	18.033823
"1692828"	346.128523	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+NH4"	18.033823
"338917"	337.6152495	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+H+NH4"	19.041099
"729151"	501.6625995	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+H+NH4"	19.041099
"1484065"	173.5678995	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H+NH4"	19.041099
"398372"	679.178618	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+Na"	22.989218
"759367"	1007.273318	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+Na"	22.989218
"1608557"	351.083918	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Na"	22.989218
"319690"	340.092947	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+H+Na"	23.996494
"709923"	504.140297	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+H+Na"	23.996494
"1464836"	176.045597	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H+Na"	23.996494
"1058084"	117.69949	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2H+Na"	25.00377
"1265230"	361.128186	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+CH3OH+H"	33.033486
"383809"	695.152558	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+K"	38.963158
"745896"	1023.247258	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+K"	38.963158
"1551229"	367.057858	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+K"	38.963158
"304034"	348.079917	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+H+K"	39.970434
"703014"	512.127267	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+H+K"	39.970434
"1457565"	184.032567	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H+K"	39.970434
"247260"	698.223226	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+ACN+H"	42.033826
"1218146"	370.128526	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+ACN+H"	42.033826
"1196929"	185.567901	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+ACN+2H"	43.041102
"191623"	701.16056	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+2Na-H"	44.97116
"634464"	1029.25526	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+2Na-H"	44.97116
"1135781"	373.06586	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2Na-H"	44.97116
"174699"	351.083918	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+2Na"	45.978436
"614501"	515.131268	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+2Na"	45.978436
"1115851"	187.036568	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2Na"	45.978436
"1403844"	125.026804	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H+2Na"	46.985712
"1435597"	375.107446	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H+HCOOH"	47.012746
"228580"	356.11694	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+3H2O+2H"	56.04448
"1520651"	389.15949	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+IsoProp+H"	61.06479
"420702"	359.070888	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+Na+K"	61.952376
"778416"	523.118238	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+Na+K"	61.952376
"1679121"	195.023538	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Na+K"	61.952376
"255799"	720.205168	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+ACN+Na"	64.015768
"1231789"	392.110468	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+ACN+Na"	64.015768
"1721768"	392.133993	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+NH4+HCOOH"	64.039293
"1189310"	132.354118	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+3Na"	68.967654
"1653736"	397.089388	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Na+HCOOH"	68.994688
"160597"	733.10844	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+2K-H"	76.91904
"602345"	1061.20314	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+2K-H"	76.91904
"1084669"	405.01374	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2K-H"	76.91904
"144042"	367.057858	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"2M+2K"	77.926316
"592356"	531.105208	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"3M+2K"	77.926316
"1079055"	203.010508	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2K"	77.926316
"1104608"	407.028292	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2K+H"	78.933592
"1339535"	407.115907	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+DMSO+H"	79.021207
"1006847"	411.155076	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2ACN+H"	83.060376
"1532751"	412.148708	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+IsoProp+Na+H"	84.054008
"992639"	206.081176	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+2ACN+2H"	84.067652
"1588601"	413.063328	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+K+HCOOH"	84.968628
"1414420"	443.094838	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+H+CF3COOH"	115.000138
"1152938"	226.594451	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+3ACN+2H"	125.094202
"1700302"	460.121385	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+NH4+CF3COOH"	132.026685
"1635952"	465.07678	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+Na+CF3COOH"	136.98208
"1578166"	481.05072	"C09479"	"Betagarin;52-Dimethoxy-67-methylenedioxyflavanone"	"C18H16O6"	"328.0947"	"M+K+CF3COOH"	152.95602
"811815"	280.1311	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M"	0
"982067"	261.11271	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-H2O-H"	-19.01839
"75777"	185.746790666667	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M-3H"	-3.021828
"505496"	279.123824	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M-3H"	-3.021828
"882204"	92.3697573333333	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-3H"	-3.021828
"10622"	279.123824	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M-2H"	-2.014552
"444715"	419.189374	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M-2H"	-2.014552
"822515"	139.058274	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-2H"	-2.014552
"84698"	559.254924	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M-H"	-1.007276
"532646"	839.386024	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M-H"	-1.007276
"907533"	279.123824	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-H"	-1.007276
"57531"	576.281471	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M-2H+NH4"	16.019271
"494905"	856.412571	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M-2H+NH4"	16.019271
"878179"	296.150371	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-2H+NH4"	16.019271
"41705"	581.236866	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M-2H+Na"	20.974666
"475797"	861.367966	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M-2H+Na"	20.974666
"859068"	301.105766	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-2H+Na"	20.974666
"1633553"	301.105766	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Na-2H"	20.974666
"108292"	297.112163	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M-H+Cl"	33.962126
"547975"	437.177713	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M-H+Cl"	33.962126
"938209"	157.046613	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-H+Cl"	33.962126
"279926"	595.231602	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+Cl"	34.969402
"671375"	875.362702	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+Cl"	34.969402
"1282686"	315.100502	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Cl"	34.969402
"23054"	597.210806	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M-2H+K"	36.948606
"466990"	877.341906	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M-2H+K"	36.948606
"844792"	317.079706	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-2H+K"	36.948606
"1567187"	317.079706	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+K-2H"	36.948606
"951788"	325.129294	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-H+HCOOH"	44.998194
"365626"	605.260401	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+HCOOH-H"	44.998201
"350602"	619.276051	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+Hac-H"	59.013851
"1497250"	339.144951	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Hac-H"	59.013851
"961507"	347.111251	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-H+NaCOOH"	66.980151
"114790"	315.100502	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+2Cl"	69.938804
"552891"	455.166052	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+2Cl"	69.938804
"1036410"	175.034952	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2Cl"	69.938804
"1251486"	359.049985	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Br"	78.918885
"1316121"	361.105972	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Cl+HCOOH"	80.974872
"1330336"	383.087929	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Cl+NaCOOH"	102.956829
"923585"	393.116686	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M-H+CF3COOH"	112.985586
"1299202"	429.093364	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Cl+CF3COOH"	148.962264
"1374081"	245.118424	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H-2H2O"	-35.012676
"1383314"	263.1284	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H-H2O"	-17.0027
"283729"	561.269476	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+H"	1.007276
"677122"	841.400576	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+H"	1.007276
"1353470"	281.138376	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H"	1.007276
"129638"	281.138376	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+2H"	2.014552
"572486"	421.203926	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+2H"	2.014552
"1050037"	141.072826	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2H"	2.014552
"213563"	187.761342666667	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+3H"	3.021828
"651299"	281.138376	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+3H"	3.021828
"1174528"	94.3843093333333	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+3H"	3.021828
"432331"	578.296023	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+NH4"	18.033823
"795516"	858.427123	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+NH4"	18.033823
"1691845"	298.164923	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+NH4"	18.033823
"339027"	289.6516495	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+H+NH4"	19.041099
"729261"	429.7171995	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+H+NH4"	19.041099
"1484175"	149.5860995	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H+NH4"	19.041099
"398482"	583.251418	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+Na"	22.989218
"760570"	863.382518	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+Na"	22.989218
"1608667"	303.120318	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Na"	22.989218
"319800"	292.129347	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+H+Na"	23.996494
"711126"	432.194897	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+H+Na"	23.996494
"1467133"	152.063797	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H+Na"	23.996494
"1058195"	101.711623333333	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2H+Na"	25.00377
"1268621"	313.164586	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+CH3OH+H"	33.033486
"383917"	599.225358	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+K"	38.963158
"746007"	879.356458	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+K"	38.963158
"1551339"	319.094258	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+K"	38.963158
"306330"	300.116317	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+H+K"	39.970434
"705311"	440.181867	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+H+K"	39.970434
"1455851"	160.050767	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H+K"	39.970434
"245546"	602.296026	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+ACN+H"	42.033826
"1217164"	322.164926	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+ACN+H"	42.033826
"1195459"	161.586101	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+ACN+2H"	43.041102
"190273"	605.23336	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+2Na-H"	44.97116
"631294"	885.36446	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+2Na-H"	44.97116
"1133701"	325.10226	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2Na-H"	44.97116
"174319"	303.120318	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+2Na"	45.978436
"613391"	443.185868	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+2Na"	45.978436
"1116167"	163.054768	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2Na"	45.978436
"1403954"	109.038937333333	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H+2Na"	46.985712
"1441175"	327.143846	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H+HCOOH"	47.012746
"233426"	308.15334	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+3H2O+2H"	56.04448
"1520761"	341.19589	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+IsoProp+H"	61.06479
"421539"	311.107288	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+Na+K"	61.952376
"780713"	451.172838	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+Na+K"	61.952376
"1678137"	171.041738	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Na+K"	61.952376
"258096"	624.277968	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+ACN+Na"	64.015768
"1234086"	344.146868	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+ACN+Na"	64.015768
"1722971"	344.170393	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+NH4+HCOOH"	64.039293
"1192337"	116.366251333333	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+3Na"	68.967654
"1653846"	349.125788	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Na+HCOOH"	68.994688
"162896"	637.18124	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+2K-H"	76.91904
"601363"	917.31234	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+2K-H"	76.91904
"1086235"	357.05014	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2K-H"	76.91904
"141837"	319.094258	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"2M+2K"	77.926316
"587728"	459.159808	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"3M+2K"	77.926316
"1078801"	179.028708	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2K"	77.926316
"1103261"	359.064692	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2K+H"	78.933592
"1339645"	359.152307	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+DMSO+H"	79.021207
"1010362"	363.191476	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2ACN+H"	83.060376
"1531769"	364.185108	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+IsoProp+Na+H"	84.054008
"1000404"	182.099376	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+2ACN+2H"	84.067652
"1588468"	365.099728	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+K+HCOOH"	84.968628
"1415464"	395.131238	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+H+CF3COOH"	115.000138
"1161438"	202.612651	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+3ACN+2H"	125.094202
"1711348"	412.157785	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+NH4+CF3COOH"	132.026685
"1643717"	417.11318	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+Na+CF3COOH"	136.98208
"1578277"	433.08712	"C09480"	"Hymenoflorin"	"C15H20O5"	"280.1311"	"M+K+CF3COOH"	152.95602
"811925"	264.1362	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M"	0
"984364"	245.11781	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"75887"	175.083524	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"505606"	263.128924	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"883409"	87.038124	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"1984"	263.128924	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"448104"	395.197024	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"822625"	131.060824	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"84808"	527.265124	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"532392"	791.401324	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"908736"	263.128924	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"60922"	544.291671	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"500482"	808.427871	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"877191"	280.155471	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"40722"	549.247066	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"475907"	813.383266	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"848926"	285.110866	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1625429"	285.110866	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"105243"	281.117263	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"548085"	413.185363	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"935039"	149.049163	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"280157"	563.241802	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"669298"	827.378002	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1282796"	299.105602	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"23164"	565.221006	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"467100"	829.357206	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"845996"	301.084806	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1566204"	301.084806	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"951898"	309.134394	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"365736"	573.270601	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"350712"	587.286251	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1497360"	323.150051	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"962712"	331.116351	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"112714"	299.105602	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"552275"	431.173702	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1037035"	167.037502	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1251596"	343.055085	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1315138"	345.111072	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1330446"	367.093029	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"922602"	377.121786	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1299312"	413.098464	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1373098"	229.123524	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1383303"	247.1335	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"284810"	529.279676	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"677232"	793.415876	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1355766"	265.143476	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"127196"	265.143476	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"568219"	397.211576	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1050147"	133.075376	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"213673"	177.098076	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"654325"	265.143476	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1176461"	89.052676	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"435721"	546.306223	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"797449"	810.442423	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1691955"	282.170023	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"339137"	273.6567495	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"729371"	405.7248495	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1487565"	141.5886495	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"404059"	551.261618	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"766147"	815.397818	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1612058"	287.125418	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"319910"	276.134447	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"714518"	408.202547	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1474900"	144.066347	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1065960"	96.37999	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1269824"	297.169686	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"385120"	567.235558	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"748304"	831.371758	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1551450"	303.099358	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"303159"	284.121417	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"699954"	416.189517	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1453775"	152.053317	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"239095"	570.306226	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1212900"	306.170026	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1194512"	153.588651	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"189289"	573.24356	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"629456"	837.37976	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1131784"	309.10736	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"172919"	287.125418	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"612897"	419.193518	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1117010"	155.057318	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1403700"	103.707304	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1441285"	311.148946	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"233903"	292.15844	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1520872"	325.20099	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"421286"	295.112388	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"781553"	427.180488	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1680802"	163.044288	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"262216"	592.288168	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1239663"	328.151968	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1725271"	328.175493	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1186250"	111.034618	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1655050"	333.130888	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"163006"	605.19144	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"601474"	869.32764	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1087076"	341.05524	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"143285"	303.099358	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"588931"	435.167458	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1074535"	171.031258	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1103371"	343.069792	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1339755"	343.157407	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1010470"	347.196576	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1534066"	348.190208	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1003068"	174.101926	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1589551"	349.104828	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1415084"	379.136338	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1160814"	194.615201	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1703803"	396.162885	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1641640"	401.11828	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1578387"	417.09222	"C09481"	"Hymenolin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"812035"	282.1467	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M"	0
"984474"	263.12831	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-H2O-H"	-19.01839
"74903"	187.090524	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M-3H"	-3.021828
"505716"	281.139424	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M-3H"	-3.021828
"886799"	93.041624	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-3H"	-3.021828
"8653"	281.139424	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M-2H"	-2.014552
"448214"	422.212774	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M-2H"	-2.014552
"823099"	140.066074	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-2H"	-2.014552
"81635"	563.286124	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M-H"	-1.007276
"532865"	845.432824	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M-H"	-1.007276
"909939"	281.139424	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-H"	-1.007276
"62007"	580.312671	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M-2H+NH4"	16.019271
"500592"	862.459371	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M-2H+NH4"	16.019271
"878639"	298.165971	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-2H+NH4"	16.019271
"41925"	585.268066	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M-2H+Na"	20.974666
"476017"	867.414766	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M-2H+Na"	20.974666
"849806"	303.121366	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-2H+Na"	20.974666
"1625539"	303.121366	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Na-2H"	20.974666
"104259"	299.127763	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M-H+Cl"	33.962126
"548560"	440.201113	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M-H+Cl"	33.962126
"937335"	158.054413	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-H+Cl"	33.962126
"278080"	599.262802	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+Cl"	34.969402
"667221"	881.409502	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+Cl"	34.969402
"1279626"	317.116102	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Cl"	34.969402
"22179"	601.242006	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M-2H+K"	36.948606
"466117"	883.388706	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M-2H+K"	36.948606
"835899"	319.095306	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-2H+K"	36.948606
"1559752"	319.095306	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+K-2H"	36.948606
"946541"	327.144894	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-H+HCOOH"	44.998194
"363659"	609.291601	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+HCOOH-H"	44.998201
"347542"	623.307251	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+Hac-H"	59.013851
"1497469"	341.160551	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Hac-H"	59.013851
"960999"	349.126851	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-H+NaCOOH"	66.980151
"112824"	317.116102	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+2Cl"	69.938804
"550926"	458.189452	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+2Cl"	69.938804
"1035409"	176.042752	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2Cl"	69.938804
"1250611"	361.065585	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Br"	78.918885
"1315248"	363.121572	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Cl+HCOOH"	80.974872
"1327275"	385.103529	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Cl+NaCOOH"	102.956829
"926721"	395.132286	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M-H+CF3COOH"	112.985586
"1300515"	431.108964	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Cl+CF3COOH"	148.962264
"1376488"	247.134024	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H-2H2O"	-35.012676
"1386693"	265.144	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H-H2O"	-17.0027
"284921"	565.300676	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+H"	1.007276
"677706"	847.447376	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+H"	1.007276
"1352105"	283.153976	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H"	1.007276
"126577"	283.153976	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+2H"	2.014552
"568327"	424.227326	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+2H"	2.014552
"1050257"	142.080626	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2H"	2.014552
"214876"	189.105076	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+3H"	3.021828
"654435"	283.153976	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+3H"	3.021828
"1170373"	95.056176	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+3H"	3.021828
"432551"	582.327223	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+NH4"	18.033823
"799016"	864.473923	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+NH4"	18.033823
"1693158"	300.180523	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+NH4"	18.033823
"339247"	291.6672495	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+H+NH4"	19.041099
"728388"	432.7405995	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+H+NH4"	19.041099
"1485489"	150.5938995	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H+NH4"	19.041099
"399795"	587.282618	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+Na"	22.989218
"762977"	869.429318	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+Na"	22.989218
"1612169"	305.135918	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Na"	22.989218
"322208"	294.144947	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+H+Na"	23.996494
"717909"	435.218297	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+H+Na"	23.996494
"1475010"	153.071597	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H+Na"	23.996494
"1066070"	102.38349	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2H+Na"	25.00377
"1271515"	315.180186	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+CH3OH+H"	33.033486
"386325"	603.256558	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+K"	38.963158
"747321"	885.403258	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+K"	38.963158
"1548282"	321.109858	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+K"	38.963158
"301082"	302.131917	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+H+K"	39.970434
"701158"	443.205267	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+H+K"	39.970434
"1453886"	161.058567	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H+K"	39.970434
"241394"	606.327226	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+ACN+H"	42.033826
"1217384"	324.180526	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+ACN+H"	42.033826
"1195190"	162.593901	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+ACN+2H"	43.041102
"189155"	609.26456	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+2Na-H"	44.97116
"628529"	891.41126	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+2Na-H"	44.97116
"1131573"	327.11786	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2Na-H"	44.97116
"175026"	305.135918	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+2Na"	45.978436
"617504"	446.209268	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+2Na"	45.978436
"1115945"	164.062568	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2Na"	45.978436
"1404174"	109.710804	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H+2Na"	46.985712
"1439209"	329.159446	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H+HCOOH"	47.012746
"235611"	310.16894	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+3H2O+2H"	56.04448
"1522803"	343.21149	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+IsoProp+H"	61.06479
"421396"	313.122888	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+Na+K"	61.952376
"783122"	454.196238	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+Na+K"	61.952376
"1680426"	172.049538	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Na+K"	61.952376
"262326"	628.309168	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+ACN+Na"	64.015768
"1238679"	346.162468	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+ACN+Na"	64.015768
"1727975"	346.185993	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+NH4+HCOOH"	64.039293
"1187454"	117.038118	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+3Na"	68.967654
"1654429"	351.141388	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Na+HCOOH"	68.994688
"163116"	641.21244	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+2K-H"	76.91904
"601220"	923.35914	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+2K-H"	76.91904
"1088281"	359.06574	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2K-H"	76.91904
"144730"	321.109858	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"2M+2K"	77.926316
"591228"	462.183208	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"3M+2K"	77.926316
"1072458"	180.036508	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2K"	77.926316
"1103481"	361.080292	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2K+H"	78.933592
"1340958"	361.167907	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+DMSO+H"	79.021207
"1010580"	365.207076	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2ACN+H"	83.060376
"1534906"	366.200708	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+IsoProp+Na+H"	84.054008
"998438"	183.107176	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+2ACN+2H"	84.067652
"1590754"	367.115328	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+K+HCOOH"	84.968628
"1415318"	397.146838	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+H+CF3COOH"	115.000138
"1158737"	203.620451	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+3ACN+2H"	125.094202
"1703913"	414.173385	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+NH4+CF3COOH"	132.026685
"1638470"	419.12878	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+Na+CF3COOH"	136.98208
"1578497"	435.10272	"C09482"	"Hymenoxon"	"C15H22O5"	"282.1467"	"M+K+CF3COOH"	152.95602
"815428"	308.1624	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M"	0
"984584"	289.14401	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-H2O-H"	-19.01839
"76107"	204.434324	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M-3H"	-3.021828
"511295"	307.155124	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M-3H"	-3.021828
"886910"	101.713524	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-3H"	-3.021828
"6577"	307.155124	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M-2H"	-2.014552
"445045"	461.236324	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M-2H"	-2.014552
"822846"	153.073924	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-2H"	-2.014552
"81747"	615.317524	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M-H"	-1.007276
"519241"	923.479924	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M-H"	-1.007276
"908835"	307.155124	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-H"	-1.007276
"62117"	632.344071	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M-2H+NH4"	16.019271
"499609"	940.506471	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M-2H+NH4"	16.019271
"873765"	324.181671	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-2H+NH4"	16.019271
"38754"	637.299466	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M-2H+Na"	20.974666
"476127"	945.461866	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M-2H+Na"	20.974666
"848940"	329.137066	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-2H+Na"	20.974666
"1624556"	329.137066	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Na-2H"	20.974666
"104369"	325.143463	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M-H+Cl"	33.962126
"546484"	479.224663	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M-H+Cl"	33.962126
"935259"	171.062263	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-H+Cl"	33.962126
"277097"	651.294202	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+Cl"	34.969402
"667331"	959.456602	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+Cl"	34.969402
"1278643"	343.131802	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Cl"	34.969402
"20104"	653.273406	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M-2H+K"	36.948606
"464040"	961.435806	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M-2H+K"	36.948606
"836375"	345.111006	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-2H+K"	36.948606
"1559862"	345.111006	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+K-2H"	36.948606
"946651"	353.160594	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-H+HCOOH"	44.998194
"362676"	661.323001	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+HCOOH-H"	44.998201
"346559"	675.338651	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+Hac-H"	59.013851
"1497579"	367.176251	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Hac-H"	59.013851
"961109"	375.142551	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-H+NaCOOH"	66.980151
"114027"	343.131802	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+2Cl"	69.938804
"553586"	497.213002	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+2Cl"	69.938804
"1027851"	189.050602	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2Cl"	69.938804
"1250721"	387.081285	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Br"	78.918885
"1315358"	389.137272	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Cl+HCOOH"	80.974872
"1327385"	411.119229	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Cl+NaCOOH"	102.956829
"922822"	421.147986	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M-H+CF3COOH"	112.985586
"1300626"	457.124664	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Cl+CF3COOH"	148.962264
"1373318"	273.149724	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H-2H2O"	-35.012676
"1383199"	291.1597	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H-H2O"	-17.0027
"285031"	617.332076	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+H"	1.007276
"677452"	925.494476	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+H"	1.007276
"1351456"	309.169676	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H"	1.007276
"125798"	309.169676	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+2H"	2.014552
"567708"	463.250876	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+2H"	2.014552
"1050367"	155.088476	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2H"	2.014552
"211706"	206.448876	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+3H"	3.021828
"648348"	309.169676	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+3H"	3.021828
"1169388"	103.728076	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+3H"	3.021828
"429381"	634.358623	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+NH4"	18.033823
"798032"	942.521023	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+NH4"	18.033823
"1693268"	326.196223	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+NH4"	18.033823
"340451"	317.6829495	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+H+NH4"	19.041099
"727405"	471.7641495	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+H+NH4"	19.041099
"1484506"	163.6017495	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H+NH4"	19.041099
"400999"	639.314018	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+Na"	22.989218
"760900"	947.476418	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+Na"	22.989218
"1611187"	331.151618	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Na"	22.989218
"320130"	320.160647	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+H+Na"	23.996494
"719113"	474.241847	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+H+Na"	23.996494
"1474027"	166.079447	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H+Na"	23.996494
"1062900"	111.05539	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2H+Na"	25.00377
"1269317"	341.195886	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+CH3OH+H"	33.033486
"385343"	655.287958	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+K"	38.963158
"747432"	963.450358	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+K"	38.963158
"1547299"	347.125558	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+K"	38.963158
"303379"	328.147617	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+H+K"	39.970434
"700175"	482.228817	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+H+K"	39.970434
"1456183"	174.066417	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H+K"	39.970434
"241503"	658.358626	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+ACN+H"	42.033826
"1215307"	350.196226	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+ACN+H"	42.033826
"1194571"	175.601751	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+ACN+2H"	43.041102
"188687"	661.29596	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+2Na-H"	44.97116
"629069"	969.45836	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+2Na-H"	44.97116
"1131490"	353.13356	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2Na-H"	44.97116
"173007"	331.151618	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+2Na"	45.978436
"613602"	485.232818	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+2Na"	45.978436
"1115765"	177.070418	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2Na"	45.978436
"1398931"	118.382704	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H+2Na"	46.985712
"1441505"	355.175146	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H+HCOOH"	47.012746
"235216"	336.18464	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+3H2O+2H"	56.04448
"1517810"	369.22719	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+IsoProp+H"	61.06479
"418590"	339.138588	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+Na+K"	61.952376
"779587"	493.219788	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+Na+K"	61.952376
"1677010"	185.057388	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Na+K"	61.952376
"264622"	680.340568	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+ACN+Na"	64.015768
"1239884"	372.178168	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+ACN+Na"	64.015768
"1726222"	372.201693	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+NH4+HCOOH"	64.039293
"1193033"	125.710018	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+3Na"	68.967654
"1654176"	377.157088	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Na+HCOOH"	68.994688
"161039"	693.24384	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+2K-H"	76.91904
"600234"	1001.40624	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+2K-H"	76.91904
"1091671"	385.08144	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2K-H"	76.91904
"142773"	347.125558	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"2M+2K"	77.926316
"591338"	501.206758	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"3M+2K"	77.926316
"1073661"	193.044358	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2K"	77.926316
"1103591"	387.095992	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2K+H"	78.933592
"1341068"	387.183607	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+DMSO+H"	79.021207
"1010690"	391.222776	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2ACN+H"	83.060376
"1536475"	392.216408	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+IsoProp+Na+H"	84.054008
"1003288"	196.115026	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+2ACN+2H"	84.067652
"1590864"	393.131028	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+K+HCOOH"	84.968628
"1419806"	423.162538	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+H+CF3COOH"	115.000138
"1158847"	216.628301	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+3ACN+2H"	125.094202
"1701836"	440.189085	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+NH4+CF3COOH"	132.026685
"1638580"	445.14448	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+Na+CF3COOH"	136.98208
"1578607"	461.11842	"C09483"	"Inulicin"	"C17H24O5"	"308.1624"	"M+K+CF3COOH"	152.95602
"815535"	232.1463	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M"	0
"988948"	213.12791	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"77189"	153.756924	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"517609"	231.139024	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"894562"	76.374824	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"13613"	231.139024	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"455371"	347.212174	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"830612"	115.065874	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"89510"	463.285324	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"527977"	695.431624	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"910774"	231.139024	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"61865"	480.311871	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"500207"	712.458171	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"876427"	248.165571	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"37770"	485.267266	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"476237"	717.413566	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"851849"	253.120966	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1623570"	253.120966	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"103386"	249.127363	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"546229"	365.200513	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"935369"	133.054213	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"277207"	499.262002	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"667441"	731.408302	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1279843"	267.115702	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"20214"	501.241206	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"464150"	733.387506	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"835392"	269.094906	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1558879"	269.094906	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"946761"	277.144494	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"363880"	509.290801	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"351042"	523.306451	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1499877"	291.160151	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"964135"	299.126451	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"113408"	267.115702	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"554790"	383.188852	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1027963"	151.042552	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1250831"	311.065185	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1316562"	313.121172	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1327495"	335.103129	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"925120"	345.131886	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1302558"	381.108564	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1376708"	197.133624	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1386549"	215.1436	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"285141"	465.299876	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"678656"	697.446176	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1357189"	233.153576	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"130442"	233.153576	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"567457"	349.226726	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1050477"	117.080426	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"210723"	155.771476	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"650280"	233.153576	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1168405"	78.389376	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"430584"	482.326423	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"797048"	714.472723	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1694472"	250.180123	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"341656"	241.6668495	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"735170"	357.7399995	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1491177"	125.5936995	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"402202"	487.281818	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"768543"	719.428118	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1612390"	255.135518	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"322428"	244.144547	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"721171"	360.217697	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1474137"	128.071397	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1065926"	85.71669	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1270521"	265.179786	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"387641"	503.255758	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"750823"	735.402058	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1551784"	271.109458	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"310052"	252.131517	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"702470"	368.204667	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1458481"	136.058367	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"245989"	506.326426	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1219430"	274.180126	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1199303"	137.593701	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"194360"	509.26376	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"636107"	741.41006	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1139613"	277.11746	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"177068"	255.135518	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"619545"	371.208668	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1116854"	139.062368	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1399408"	93.044004	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1441615"	279.159046	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"234234"	260.16854	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1521934"	293.21109	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"421255"	263.122488	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"777875"	379.195638	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1680041"	147.049338	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"264371"	528.308368	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1238541"	296.162068	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1724147"	296.185593	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1190596"	100.371318	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1662675"	301.140988	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"165521"	541.21164	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"601802"	773.35794	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1088502"	309.06534	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"142884"	271.109458	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"590355"	387.182608	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1074137"	155.036308	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1101513"	311.079892	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1337898"	311.167507	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1011895"	315.206676	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1534035"	316.200308	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"1000846"	158.106976	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1600452"	317.114928	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1418823"	347.146438	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1158958"	178.620251	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1706321"	364.172985	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1641970"	369.12838	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1578717"	385.10232	"C09484"	"Isoalantolactone"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"815645"	278.1154	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M"	0
"989179"	259.09701	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-H2O-H"	-19.01839
"69765"	184.402990666667	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M-3H"	-3.021828
"517719"	277.108124	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M-3H"	-3.021828
"894666"	91.6978573333333	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-3H"	-3.021828
"13725"	277.108124	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M-2H"	-2.014552
"455196"	416.165824	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M-2H"	-2.014552
"831087"	138.050424	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-2H"	-2.014552
"93753"	555.223524	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M-H"	-1.007276
"529181"	833.338924	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M-H"	-1.007276
"909778"	277.108124	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-H"	-1.007276
"61248"	572.250071	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M-2H+NH4"	16.019271
"501776"	850.365471	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M-2H+NH4"	16.019271
"878731"	294.134671	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-2H+NH4"	16.019271
"45777"	577.205466	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M-2H+Na"	20.974666
"475254"	855.320866	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M-2H+Na"	20.974666
"854147"	299.090066	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-2H+Na"	20.974666
"1628053"	299.090066	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Na-2H"	20.974666
"102403"	295.096463	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M-H+Cl"	33.962126
"545611"	434.154163	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M-H+Cl"	33.962126
"935479"	156.038763	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-H+Cl"	33.962126
"276224"	591.200202	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+Cl"	34.969402
"666458"	869.315602	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+Cl"	34.969402
"1278860"	313.084802	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Cl"	34.969402
"23604"	593.179406	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M-2H+K"	36.948606
"469606"	871.294806	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M-2H+K"	36.948606
"838782"	315.064006	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-2H+K"	36.948606
"1562269"	315.064006	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+K-2H"	36.948606
"950151"	323.113594	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-H+HCOOH"	44.998194
"365084"	601.229001	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+HCOOH-H"	44.998201
"352247"	615.244651	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+Hac-H"	59.013851
"1498894"	337.129251	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Hac-H"	59.013851
"963153"	345.095551	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-H+NaCOOH"	66.980151
"113154"	313.084802	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+2Cl"	69.938804
"554901"	452.142502	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+2Cl"	69.938804
"1030260"	174.027102	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2Cl"	69.938804
"1249848"	357.034285	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Br"	78.918885
"1315579"	359.090272	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Cl+HCOOH"	80.974872
"1327605"	381.072229	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Cl+NaCOOH"	102.956829
"924137"	391.100986	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M-H+CF3COOH"	112.985586
"1301214"	427.077664	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Cl+CF3COOH"	148.962264
"1376818"	243.102724	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H-2H2O"	-35.012676
"1386659"	261.1127	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H-H2O"	-17.0027
"287438"	557.238076	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+H"	1.007276
"680953"	835.353476	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+H"	1.007276
"1355113"	279.122676	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H"	1.007276
"130552"	279.122676	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+2H"	2.014552
"567928"	418.180376	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+2H"	2.014552
"1048036"	140.064976	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2H"	2.014552
"209740"	186.417542666667	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+3H"	3.021828
"651484"	279.122676	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+3H"	3.021828
"1167422"	93.7124093333334	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+3H"	3.021828
"429601"	574.264623	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+NH4"	18.033823
"794971"	852.380023	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+NH4"	18.033823
"1692396"	296.149223	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+NH4"	18.033823
"340673"	287.6359495	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+H+NH4"	19.041099
"732000"	426.6936495	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+H+NH4"	19.041099
"1490194"	148.5782495	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H+NH4"	19.041099
"402313"	579.220018	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+Na"	22.989218
"766589"	857.335418	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+Na"	22.989218
"1614689"	301.104618	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Na"	22.989218
"329344"	290.113647	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+H+Na"	23.996494
"720429"	429.171347	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+H+Na"	23.996494
"1473155"	151.055947	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H+Na"	23.996494
"1062027"	101.039723333333	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2H+Na"	25.00377
"1270265"	311.148886	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+CH3OH+H"	33.033486
"386658"	595.193958	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+K"	38.963158
"746560"	873.309358	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+K"	38.963158
"1550800"	317.078558	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+K"	38.963158
"306883"	298.100617	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+H+K"	39.970434
"700395"	437.158317	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+H+K"	39.970434
"1457496"	159.042917	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H+K"	39.970434
"246099"	598.264626	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+ACN+H"	42.033826
"1216624"	320.149226	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+ACN+H"	42.033826
"1200506"	160.578251	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+ACN+2H"	43.041102
"195564"	601.20196	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+2Na-H"	44.97116
"636581"	879.31736	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+2Na-H"	44.97116
"1131943"	323.08656	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2Na-H"	44.97116
"181553"	301.104618	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+2Na"	45.978436
"617104"	440.162318	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+2Na"	45.978436
"1115739"	162.046918	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2Na"	45.978436
"1399518"	108.367037333333	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H+2Na"	46.985712
"1432243"	325.128146	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H+HCOOH"	47.012746
"234713"	306.13764	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+3H2O+2H"	56.04448
"1521681"	339.18019	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+IsoProp+H"	61.06479
"422825"	309.091588	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+Na+K"	61.952376
"780172"	448.149288	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+Na+K"	61.952376
"1680517"	170.033888	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Na+K"	61.952376
"262658"	620.246568	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+ACN+Na"	64.015768
"1237194"	342.131168	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+ACN+Na"	64.015768
"1724623"	342.154693	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+NH4+HCOOH"	64.039293
"1188882"	115.694351333333	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+3Na"	68.967654
"1660957"	347.110088	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Na+HCOOH"	68.994688
"161623"	633.14984	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+2K-H"	76.91904
"601914"	911.26524	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+2K-H"	76.91904
"1086425"	355.03444	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2K-H"	76.91904
"145424"	317.078558	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"2M+2K"	77.926316
"589372"	456.136258	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"3M+2K"	77.926316
"1073882"	178.020858	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2K"	77.926316
"1102716"	357.048992	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2K+H"	78.933592
"1340196"	357.136607	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+DMSO+H"	79.021207
"1014193"	361.175776	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2ACN+H"	83.060376
"1536333"	362.169408	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+IsoProp+Na+H"	84.054008
"1003143"	181.091526	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+2ACN+2H"	84.067652
"1600927"	363.084028	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+K+HCOOH"	84.968628
"1418933"	393.115538	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+H+CF3COOH"	115.000138
"1160161"	201.604801	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+3ACN+2H"	125.094202
"1703150"	410.142085	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+NH4+CF3COOH"	132.026685
"1638800"	415.09748	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+Na+CF3COOH"	136.98208
"1578827"	431.07142	"C09485"	"Isohelenol"	"C15H18O5"	"278.1154"	"M+K+CF3COOH"	152.95602
"809194"	406.1992	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M"	0
"979446"	387.18081	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-H2O-H"	-19.01839
"73154"	269.792190666667	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M-3H"	-3.021828
"506883"	405.191924	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M-3H"	-3.021828
"885049"	134.392457333333	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-3H"	-3.021828
"5812"	405.191924	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M-2H"	-2.014552
"448654"	608.291524	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M-2H"	-2.014552
"829735"	202.092324	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-2H"	-2.014552
"85354"	811.391124	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M-H"	-1.007276
"530384"	1217.590324	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M-H"	-1.007276
"907090"	405.191924	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-H"	-1.007276
"59280"	828.417671	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M-2H+NH4"	16.019271
"499933"	1234.616871	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M-2H+NH4"	16.019271
"876642"	422.218471	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-2H+NH4"	16.019271
"42357"	833.373066	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M-2H+Na"	20.974666
"486298"	1239.572266	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M-2H+Na"	20.974666
"861915"	427.173866	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-2H+Na"	20.974666
"1633270"	427.173866	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Na-2H"	20.974666
"101417"	423.180263	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M-H+Cl"	33.962126
"540980"	626.279863	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M-H+Cl"	33.962126
"931214"	220.080663	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-H+Cl"	33.962126
"278521"	847.367802	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+Cl"	34.969402
"664380"	1253.567002	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+Cl"	34.969402
"1280063"	441.168602	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Cl"	34.969402
"26993"	849.347006	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M-2H+K"	36.948606
"466557"	1255.546206	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M-2H+K"	36.948606
"844358"	443.147806	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-2H+K"	36.948606
"1567846"	443.147806	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+K-2H"	36.948606
"950260"	451.197394	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-H+HCOOH"	44.998194
"370661"	857.396601	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+HCOOH-H"	44.998201
"355640"	871.412251	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+Hac-H"	59.013851
"1505565"	465.213051	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Hac-H"	59.013851
"963264"	473.179351	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-H+NaCOOH"	66.980151
"111805"	441.168602	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+2Cl"	69.938804
"552091"	644.268202	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+2Cl"	69.938804
"1027089"	238.069002	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2Cl"	69.938804
"1248865"	485.118085	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Br"	78.918885
"1315689"	487.174072	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Cl+HCOOH"	80.974872
"1329902"	509.156029	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Cl+NaCOOH"	102.956829
"920964"	519.184786	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M-H+CF3COOH"	112.985586
"1299861"	555.161464	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Cl+CF3COOH"	148.962264
"1375834"	371.186524	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H-2H2O"	-35.012676
"1388955"	389.1965	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H-H2O"	-17.0027
"291923"	813.405676	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+H"	1.007276
"681064"	1219.604876	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+H"	1.007276
"1360691"	407.206476	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H"	1.007276
"130664"	407.206476	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+2H"	2.014552
"566940"	610.306076	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+2H"	2.014552
"1044136"	204.106876	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2H"	2.014552
"209847"	271.806742666667	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+3H"	3.021828
"651597"	407.206476	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+3H"	3.021828
"1174097"	136.407009333333	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+3H"	3.021828
"437370"	830.432223	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+NH4"	18.033823
"796179"	1236.631423	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+NH4"	18.033823
"1696398"	424.233023	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+NH4"	18.033823
"343703"	415.7197495	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+H+NH4"	19.041099
"733208"	618.8193495	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+H+NH4"	19.041099
"1485934"	212.6201495	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H+NH4"	19.041099
"402428"	835.387618	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+Na"	22.989218
"763421"	1241.586818	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+Na"	22.989218
"1614799"	429.188418	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Na"	22.989218
"325932"	418.197447	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+H+Na"	23.996494
"717260"	621.297047	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+H+Na"	23.996494
"1473266"	215.097847	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H+Na"	23.996494
"1063231"	143.734323333333	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2H+Na"	25.00377
"1268918"	439.232686	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+CH3OH+H"	33.033486
"390048"	851.361558	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+K"	38.963158
"746671"	1257.560758	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+K"	38.963158
"1546536"	445.162358	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+K"	38.963158
"309177"	426.184417	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+H+K"	39.970434
"700509"	629.284017	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+H+K"	39.970434
"1454329"	223.084817	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H+K"	39.970434
"244024"	854.432226	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+ACN+H"	42.033826
"1218919"	448.233026	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+ACN+H"	42.033826
"1200980"	224.620151	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+ACN+2H"	43.041102
"196037"	857.36956	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+2Na-H"	44.97116
"632317"	1263.56876	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+2Na-H"	44.97116
"1134364"	451.17036	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2Na-H"	44.97116
"174977"	429.188418	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+2Na"	45.978436
"613810"	632.288018	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+2Na"	45.978436
"1115980"	226.088818	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2Na"	45.978436
"1399019"	151.061637333333	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H+2Na"	46.985712
"1433082"	453.211946	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H+HCOOH"	47.012746
"235182"	434.22144	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+3H2O+2H"	56.04448
"1522154"	467.26399	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+IsoProp+H"	61.06479
"422208"	437.175388	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+Na+K"	61.952376
"783563"	640.274988	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+Na+K"	61.952376
"1679775"	234.075788	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Na+K"	61.952376
"264225"	876.414168	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+ACN+Na"	64.015768
"1238396"	470.214968	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+ACN+Na"	64.015768
"1722542"	470.238493	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+NH4+HCOOH"	64.039293
"1190080"	158.388951333333	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+3Na"	68.967654
"1662162"	475.193888	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Na+HCOOH"	68.994688
"163556"	889.31744	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+2K-H"	76.91904
"602024"	1295.51664	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+2K-H"	76.91904
"1088355"	483.11824	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2K-H"	76.91904
"144448"	445.162358	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"2M+2K"	77.926316
"592762"	648.261958	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"3M+2K"	77.926316
"1075087"	242.062758	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2K"	77.926316
"1110119"	485.132792	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2K+H"	78.933592
"1337270"	485.220407	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+DMSO+H"	79.021207
"1013212"	489.259576	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2ACN+H"	83.060376
"1535710"	490.253208	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+IsoProp+Na+H"	84.054008
"1002159"	245.133426	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+2ACN+2H"	84.067652
"1599943"	491.167828	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+K+HCOOH"	84.968628
"1420134"	521.199338	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+H+CF3COOH"	115.000138
"1152614"	265.646701	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+3ACN+2H"	125.094202
"1702167"	538.225885	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+NH4+CF3COOH"	132.026685
"1638910"	543.18128	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+Na+CF3COOH"	136.98208
"1575655"	559.15522	"C09486"	"Isomontanolide"	"C22H30O7"	"406.1992"	"M+K+CF3COOH"	152.95602
"809304"	306.1467	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M"	0
"977369"	287.12831	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"66704"	203.090524	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"504443"	305.139424	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"882973"	101.041624	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"5922"	305.139424	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"445484"	458.212774	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"829845"	152.066074	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"88744"	611.286124	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"531223"	917.432824	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"907200"	305.139424	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"58297"	628.312671	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"498950"	934.459371	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"872379"	322.165971	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"42468"	633.268066	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"480934"	939.414766	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"860928"	327.121366	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1629367"	327.121366	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"100433"	323.127763	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"539993"	476.201113	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"930231"	170.054413	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"269883"	647.262802	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"663397"	953.409502	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1274341"	341.116102	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"17263"	649.242006	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"461199"	955.388706	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"842281"	343.095306	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1566863"	343.095306	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"947090"	351.144894	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"369678"	657.291601	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"356843"	671.307251	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1506769"	365.160551	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"965561"	373.126851	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"114467"	341.116102	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"551109"	494.189452	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1028294"	188.042752	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1250068"	385.065585	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1315799"	387.121572	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1330012"	409.103529	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"919981"	419.132286	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1296691"	455.108964	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1381897"	271.134024	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1387971"	289.144	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"294220"	613.300676	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"687733"	919.447376	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1357521"	307.153976	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"130410"	307.153976	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"567413"	460.227326	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1044244"	154.080626	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"207768"	205.105076	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"651705"	307.153976	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1173479"	103.056176	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"436022"	630.327223	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"797381"	936.473923	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1695780"	324.180523	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"341991"	315.6672495	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"733317"	468.7405995	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1488959"	162.5938995	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"404723"	635.282618	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"762437"	941.429318	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1613816"	329.135918	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"329199"	318.144947	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"721015"	471.218297	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1474468"	165.071597	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1065527"	110.38349	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1267206"	339.180186	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"387972"	651.256558	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"747874"	957.403258	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1548832"	345.109858	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"310380"	326.131917	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"702805"	479.205267	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1454439"	173.058567	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"244134"	654.327226	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1217936"	348.180526	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1199268"	174.593901	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"196147"	657.26456	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"632062"	963.41126	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1134474"	351.11786	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"178857"	329.135918	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"613068"	482.209268	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1116211"	176.062568	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1399734"	117.710804	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1433193"	353.159446	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"234805"	334.16894	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1523483"	367.21149	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"423412"	337.122888	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"785254"	490.196238	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1679884"	184.049538	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"263241"	676.309168	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1238137"	370.162468	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1723746"	370.185993	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1189096"	125.038118	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1661908"	375.141388	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"169135"	689.21244	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"601041"	995.35914	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1086279"	383.06574	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"144559"	345.109858	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"590684"	498.183208	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1075197"	192.036508	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1107313"	385.080292	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1337380"	385.167907	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1013322"	389.207076	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1536913"	390.200708	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"1004092"	195.107176	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1600053"	391.115328	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1418057"	421.146838	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1152724"	215.620451	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1703370"	438.173385	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1639020"	443.12878	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1575765"	459.10272	"C09487"	"Isotenulin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"815975"	248.1412	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M"	0
"979666"	229.12281	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"64991"	164.420190666667	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"504189"	247.133924	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"881989"	81.7064573333333	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"4940"	247.133924	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"453249"	371.204524	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"831051"	123.063324	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"91406"	495.275124	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"533972"	743.416324	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"907312"	247.133924	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"61446"	512.301671	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"499061"	760.442871	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"875770"	264.160471	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"46230"	517.257066	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"485421"	765.398266	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"862500"	269.115866	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1631421"	269.115866	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"102730"	265.122263	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"541197"	389.192863	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"934711"	141.051663	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"273273"	531.251802	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"666787"	779.393002	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1274208"	283.110602	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"27211"	533.231006	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"461309"	781.372206	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"842391"	285.089806	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1568067"	285.089806	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"947199"	293.139394	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"366507"	541.280601	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"354765"	555.296251	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1507568"	307.155051	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"965671"	315.121351	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"113484"	283.110602	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"551220"	407.181202	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1027311"	159.040002	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1252365"	327.060085	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1317002"	329.116072	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1331216"	351.098029	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"922277"	361.126786	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1300081"	397.103464	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1378240"	213.128524	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1386988"	231.1385	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"295423"	497.289676	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"685657"	745.430876	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1357631"	249.148476	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"130520"	249.148476	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"568256"	373.219076	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1044354"	125.077876	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"210066"	166.434742666667	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"652908"	249.148476	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1174318"	83.7210093333333	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"435039"	514.316223	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"797127"	762.457423	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1693823"	266.175023	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"338819"	257.6617495	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"733426"	381.7323495	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1487245"	133.5911495	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"406655"	519.271618	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"761454"	767.412818	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1612832"	271.130418	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"322868"	260.139447	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"717477"	384.210047	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1472390"	136.068847	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1060170"	91.0483233333333	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1265128"	281.174686	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"388083"	535.245558	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"750172"	783.386758	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1551130"	287.104358	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"307212"	268.126417	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"702915"	392.197017	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1455642"	144.055817	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"242058"	538.316226	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1215130"	290.175026	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1198284"	145.591151	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"198080"	541.25356	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"631443"	789.39476	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1134584"	293.11236	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"174835"	271.130418	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"613788"	395.201018	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1116401"	147.059818	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1399033"	98.3756373333333	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1433303"	295.153946	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"234190"	276.16344	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1520918"	309.20599	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"422426"	279.117388	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"782325"	403.187988	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1678654"	155.046788	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"259341"	560.298168	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1234968"	312.156968	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1721666"	312.180493	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1188845"	105.702951333333	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1659831"	317.135888	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"163777"	573.20144	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"604431"	821.34264	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1087485"	325.06024	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"142842"	287.104358	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"590794"	411.174958	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1075307"	163.033758	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1107424"	327.074792	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1350494"	327.162407	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1019993"	331.201576	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1538846"	332.195208	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"1004202"	166.104426	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1600163"	333.109828	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1422541"	363.141338	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1156114"	186.617701	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1703480"	380.167885	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1639130"	385.12328	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1575875"	401.09722	"C09488"	"Ivalin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"803327"	276.0998	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M"	0
"975759"	257.08141	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-H2O-H"	-19.01839
"64371"	183.059257333333	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M-3H"	-3.021828
"507579"	275.092524	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M-3H"	-3.021828
"882099"	91.0259906666667	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-3H"	-3.021828
"3956"	275.092524	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M-2H"	-2.014552
"448983"	413.142424	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M-2H"	-2.014552
"826785"	137.042624	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-2H"	-2.014552
"85684"	551.192324	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M-H"	-1.007276
"533268"	827.292124	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M-H"	-1.007276
"910096"	275.092524	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-H"	-1.007276
"60703"	568.218871	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M-2H+NH4"	16.019271
"500263"	844.318671	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M-2H+NH4"	16.019271
"878683"	292.119071	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-2H+NH4"	16.019271
"45613"	573.174266	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M-2H+Na"	20.974666
"486181"	849.274066	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M-2H+Na"	20.974666
"862732"	297.074466	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-2H+Na"	20.974666
"1629587"	297.074466	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Na-2H"	20.974666
"105027"	293.080863	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M-H+Cl"	33.962126
"539121"	431.130763	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M-H+Cl"	33.962126
"933727"	155.030963	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-H+Cl"	33.962126
"270103"	587.169002	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+Cl"	34.969402
"660573"	863.268802	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+Cl"	34.969402
"1277113"	311.069202	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Cl"	34.969402
"27322"	589.148206	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M-2H+K"	36.948606
"461416"	865.248006	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M-2H+K"	36.948606
"842501"	313.048406	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-2H+K"	36.948606
"1568177"	313.048406	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+K-2H"	36.948606
"948403"	321.097994	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-H+HCOOH"	44.998194
"370992"	597.197801	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+HCOOH-H"	44.998201
"352689"	611.213451	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+Hac-H"	59.013851
"1505896"	335.113651	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Hac-H"	59.013851
"965781"	343.079951	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-H+NaCOOH"	66.980151
"117968"	311.069202	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+2Cl"	69.938804
"555342"	449.119102	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+2Cl"	69.938804
"1030703"	173.019302	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2Cl"	69.938804
"1251380"	355.018685	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Br"	78.918885
"1317112"	357.074672	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Cl+HCOOH"	80.974872
"1330233"	379.056629	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Cl+NaCOOH"	102.956829
"921294"	389.085386	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M-H+CF3COOH"	112.985586
"1299097"	425.062064	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Cl+CF3COOH"	148.962264
"1377256"	241.087124	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H-2H2O"	-35.012676
"1392566"	259.0971	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H-H2O"	-17.0027
"297356"	553.206876	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+H"	1.007276
"689047"	829.306676	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+H"	1.007276
"1362116"	277.107076	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H"	1.007276
"135005"	277.107076	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+2H"	2.014552
"568730"	415.156976	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+2H"	2.014552
"1045557"	139.057176	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2H"	2.014552
"213456"	185.073809333333	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+3H"	3.021828
"653018"	277.107076	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+3H"	3.021828
"1175521"	93.0405426666667	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+3H"	3.021828
"439164"	570.233423	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+NH4"	18.033823
"799060"	846.333223	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+NH4"	18.033823
"1695757"	294.133623	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+NH4"	18.033823
"342211"	285.6203495	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+H+NH4"	19.041099
"735726"	423.6702495	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+H+NH4"	19.041099
"1491368"	147.5704495	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H+NH4"	19.041099
"406402"	575.188818	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+Na"	22.989218
"764844"	851.288618	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+Na"	22.989218
"1617316"	299.089018	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Na"	22.989218
"327354"	288.098047	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+H+Na"	23.996494
"721234"	426.147947	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+H+Na"	23.996494
"1474688"	150.048147	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H+Na"	23.996494
"1063560"	100.367856666667	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2H+Na"	25.00377
"1268519"	309.133286	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+CH3OH+H"	33.033486
"390015"	591.162758	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+K"	38.963158
"751375"	867.262558	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+K"	38.963158
"1551239"	315.062958	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+K"	38.963158
"307320"	296.085017	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+H+K"	39.970434
"700838"	434.134917	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+H+K"	39.970434
"1457939"	158.035117	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H+K"	39.970434
"242168"	594.233426	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+ACN+H"	42.033826
"1213784"	318.133626	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+ACN+H"	42.033826
"1196936"	159.570451	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+ACN+2H"	43.041102
"193816"	597.17076	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+2Na-H"	44.97116
"628630"	873.27056	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+2Na-H"	44.97116
"1132872"	321.07096	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2Na-H"	44.97116
"176891"	299.089018	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+2Na"	45.978436
"614629"	437.138918	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+2Na"	45.978436
"1116431"	161.039118	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2Na"	45.978436
"1398741"	107.695170666667	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H+2Na"	46.985712
"1431342"	323.112546	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H+HCOOH"	47.012746
"235154"	304.12204	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+3H2O+2H"	56.04448
"1522606"	337.16459	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+IsoProp+H"	61.06479
"423873"	307.075988	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+Na+K"	61.952376
"784378"	445.125888	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+Na+K"	61.952376
"1680224"	169.026088	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Na+K"	61.952376
"263096"	616.215368	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+ACN+Na"	64.015768
"1236170"	340.115568	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+ACN+Na"	64.015768
"1722870"	340.139093	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+NH4+HCOOH"	64.039293
"1189317"	115.022484666667	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+3Na"	68.967654
"1658117"	345.094488	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Na+HCOOH"	68.994688
"166804"	629.11864	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+2K-H"	76.91904
"607822"	905.21844	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+2K-H"	76.91904
"1085405"	353.01884	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2K-H"	76.91904
"142142"	315.062958	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"2M+2K"	77.926316
"589811"	453.112858	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"3M+2K"	77.926316
"1075417"	177.013058	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2K"	77.926316
"1107534"	355.033392	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2K+H"	78.933592
"1350239"	355.121007	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+DMSO+H"	79.021207
"1017917"	359.160176	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2ACN+H"	83.060376
"1537136"	360.153808	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+IsoProp+Na+H"	84.054008
"1005165"	180.083726	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+2ACN+2H"	84.067652
"1600275"	361.068428	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+K+HCOOH"	84.968628
"1429216"	391.099938	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+H+CF3COOH"	115.000138
"1162538"	200.597001	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+3ACN+2H"	125.094202
"1703590"	408.126485	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+NH4+CF3COOH"	132.026685
"1638147"	413.08188	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+Na+CF3COOH"	136.98208
"1575985"	429.05582	"C09489"	"Lactucin"	"C15H16O5"	"276.0998"	"M+K+CF3COOH"	152.95602
"803073"	410.1366	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M"	0
"974449"	391.11821	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-H2O-H"	-19.01839
"63385"	272.417124	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M-3H"	-3.021828
"504651"	409.129324	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M-3H"	-3.021828
"885489"	135.704924	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-3H"	-3.021828
"1880"	409.129324	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M-2H"	-2.014552
"445813"	614.197624	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M-2H"	-2.014552
"823615"	204.061024	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-2H"	-2.014552
"86887"	819.265924	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M-H"	-1.007276
"531797"	1229.402524	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M-H"	-1.007276
"909113"	409.129324	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-H"	-1.007276
"61665"	836.292471	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M-2H+NH4"	16.019271
"500373"	1246.429071	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M-2H+NH4"	16.019271
"879029"	426.155871	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-2H+NH4"	16.019271
"46327"	841.247866	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M-2H+Na"	20.974666
"486614"	1251.384466	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M-2H+Na"	20.974666
"863650"	431.111266	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-2H+Na"	20.974666
"1629697"	431.111266	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Na-2H"	20.974666
"98938"	427.117663	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M-H+Cl"	33.962126
"539230"	632.185963	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M-H+Cl"	33.962126
"931651"	222.049363	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-H+Cl"	33.962126
"275677"	855.242602	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+Cl"	34.969402
"670284"	1265.379202	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+Cl"	34.969402
"1277223"	445.106002	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Cl"	34.969402
"27431"	857.221806	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M-2H+K"	36.948606
"466993"	1267.358406	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M-2H+K"	36.948606
"841518"	447.085206	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-2H+K"	36.948606
"1568287"	447.085206	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+K-2H"	36.948606
"948513"	455.134794	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-H+HCOOH"	44.998194
"370009"	865.271401	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+HCOOH-H"	44.998201
"354987"	879.287051	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+Hac-H"	59.013851
"1506373"	469.150451	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Hac-H"	59.013851
"970266"	477.116751	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-H+NaCOOH"	66.980151
"114799"	445.106002	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+2Cl"	69.938804
"557640"	650.174302	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+2Cl"	69.938804
"1030813"	240.037702	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2Cl"	69.938804
"1253677"	489.055485	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Br"	78.918885
"1316129"	491.111472	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Cl+HCOOH"	80.974872
"1329250"	513.093429	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Cl+NaCOOH"	102.956829
"925051"	523.122186	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M-H+CF3COOH"	112.985586
"1300301"	559.098864	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Cl+CF3COOH"	148.962264
"1376273"	375.123924	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H-2H2O"	-35.012676
"1395956"	393.1339	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H-H2O"	-17.0027
"297833"	821.280476	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+H"	1.007276
"685877"	1231.417076	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+H"	1.007276
"1362226"	411.143876	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H"	1.007276
"134022"	411.143876	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+2H"	2.014552
"569573"	616.212176	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+2H"	2.014552
"1045667"	206.075576	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2H"	2.014552
"211379"	274.431676	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+3H"	3.021828
"653128"	411.143876	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+3H"	3.021828
"1175630"	137.719476	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+3H"	3.021828
"439477"	838.307023	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+NH4"	18.033823
"799897"	1248.443623	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+NH4"	18.033823
"1695136"	428.170423	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+NH4"	18.033823
"342321"	419.6571495	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+H+NH4"	19.041099
"735835"	624.7254495	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+H+NH4"	19.041099
"1489292"	214.5888495	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H+NH4"	19.041099
"406146"	843.262418	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+Na"	22.989218
"764954"	1253.399018	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+Na"	22.989218
"1614146"	433.125818	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Na"	22.989218
"327464"	422.134847	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+H+Na"	23.996494
"718791"	627.203147	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+H+Na"	23.996494
"1472611"	217.066547	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H+Na"	23.996494
"1061482"	145.04679	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2H+Na"	25.00377
"1265349"	443.170086	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+CH3OH+H"	33.033486
"390126"	859.236358	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+K"	38.963158
"751122"	1269.372958	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+K"	38.963158
"1550256"	449.099758	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+K"	38.963158
"307430"	430.121817	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+H+K"	39.970434
"702770"	635.190117	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+H+K"	39.970434
"1458048"	225.053517	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H+K"	39.970434
"242278"	862.307026	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+ACN+H"	42.033826
"1214988"	452.170426	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+ACN+H"	42.033826
"1197412"	226.588851	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+ACN+2H"	43.041102
"194655"	865.24436	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+2Na-H"	44.97116
"629354"	1275.38096	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+2Na-H"	44.97116
"1137357"	455.10776	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2Na-H"	44.97116
"182469"	433.125818	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+2Na"	45.978436
"616196"	638.194118	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+2Na"	45.978436
"1116664"	228.057518	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2Na"	45.978436
"1400431"	152.374104	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H+2Na"	46.985712
"1435707"	457.149346	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H+HCOOH"	47.012746
"235019"	438.15884	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+3H2O+2H"	56.04448
"1522472"	471.20139	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+IsoProp+H"	61.06479
"423132"	441.112788	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+Na+K"	61.952376
"784608"	646.181088	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+Na+K"	61.952376
"1679240"	236.044488	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Na+K"	61.952376
"256279"	884.288968	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+ACN+Na"	64.015768
"1235189"	474.152368	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+ACN+Na"	64.015768
"1722981"	474.175893	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+NH4+HCOOH"	64.039293
"1188335"	159.701418	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+3Na"	68.967654
"1657136"	479.131288	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Na+HCOOH"	68.994688
"166914"	897.19224	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+2K-H"	76.91904
"604287"	1307.32884	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+2K-H"	76.91904
"1086609"	487.05564	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2K-H"	76.91904
"142090"	449.099758	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"2M+2K"	77.926316
"588826"	654.168058	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"3M+2K"	77.926316
"1075527"	244.031458	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2K"	77.926316
"1110923"	489.070192	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2K+H"	78.933592
"1348405"	489.157807	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+DMSO+H"	79.021207
"1014747"	493.196976	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2ACN+H"	83.060376
"1535058"	494.190608	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+IsoProp+Na+H"	84.054008
"1002602"	247.102126	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+2ACN+2H"	84.067652
"1600385"	495.105228	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+K+HCOOH"	84.968628
"1428962"	525.136738	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+H+CF3COOH"	115.000138
"1161676"	267.615401	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+3ACN+2H"	125.094202
"1705887"	542.163285	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+NH4+CF3COOH"	132.026685
"1638257"	547.11868	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+Na+CF3COOH"	136.98208
"1576095"	563.09262	"C09490"	"Lactupicrin"	"C23H22O7"	"410.1366"	"M+K+CF3COOH"	152.95602
"802089"	390.2042	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M"	0
"974641"	371.18581	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-H2O-H"	-19.01839
"63496"	259.128857333333	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M-3H"	-3.021828
"503422"	389.196924	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M-3H"	-3.021828
"881102"	129.060790666667	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-3H"	-3.021828
"2717"	389.196924	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M-2H"	-2.014552
"445923"	584.299024	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M-2H"	-2.014552
"821538"	194.094824	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-2H"	-2.014552
"89183"	779.401124	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M-H"	-1.007276
"526558"	1169.605324	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M-H"	-1.007276
"907641"	389.196924	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-H"	-1.007276
"57643"	796.427671	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M-2H+NH4"	16.019271
"498296"	1186.631871	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M-2H+NH4"	16.019271
"878166"	406.223471	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-2H+NH4"	16.019271
"46757"	801.383066	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M-2H+Na"	20.974666
"483562"	1191.587266	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M-2H+Na"	20.974666
"861364"	411.178866	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-2H+Na"	20.974666
"1632603"	411.178866	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Na-2H"	20.974666
"101963"	407.185263	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M-H+Cl"	33.962126
"542620"	602.287363	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M-H+Cl"	33.962126
"932854"	212.083163	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-H+Cl"	33.962126
"275788"	815.377802	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+Cl"	34.969402
"673674"	1205.582002	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+Cl"	34.969402
"1280609"	425.173602	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Cl"	34.969402
"27542"	817.357006	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M-2H+K"	36.948606
"461636"	1207.561206	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M-2H+K"	36.948606
"841628"	427.152806	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-2H+K"	36.948606
"1569490"	427.152806	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+K-2H"	36.948606
"950811"	435.202394	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-H+HCOOH"	44.998194
"370120"	825.406601	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+HCOOH-H"	44.998201
"357284"	839.422251	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+Hac-H"	59.013851
"1508396"	449.218051	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Hac-H"	59.013851
"967096"	457.184351	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-H+NaCOOH"	66.980151
"115273"	425.173602	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+2Cl"	69.938804
"555563"	620.275702	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+2Cl"	69.938804
"1027643"	230.071502	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2Cl"	69.938804
"1248318"	469.123085	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Br"	78.918885
"1316971"	471.179072	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Cl+HCOOH"	80.974872
"1333735"	493.161029	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Cl+NaCOOH"	102.956829
"921516"	503.189786	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M-H+CF3COOH"	112.985586
"1300048"	539.166464	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Cl+CF3COOH"	148.962264
"1381610"	355.191524	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H-2H2O"	-35.012676
"1395705"	373.2015	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H-H2O"	-17.0027
"296120"	781.415676	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+H"	1.007276
"687811"	1171.619876	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+H"	1.007276
"1365618"	391.211476	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H"	1.007276
"137414"	391.211476	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+2H"	2.014552
"570047"	586.313576	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+2H"	2.014552
"1044684"	196.109376	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2H"	2.014552
"211489"	261.143409333333	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+3H"	3.021828
"653238"	391.211476	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+3H"	3.021828
"1174647"	131.075342666667	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+3H"	3.021828
"437920"	798.442223	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+NH4"	18.033823
"800255"	1188.646423	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+NH4"	18.033823
"1695248"	408.238023	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+NH4"	18.033823
"342432"	399.7247495	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+H+NH4"	19.041099
"737771"	594.8268495	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+H+NH4"	19.041099
"1491591"	204.6226495	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H+NH4"	19.041099
"404072"	803.397618	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+Na"	22.989218
"763971"	1193.601818	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+Na"	22.989218
"1613164"	413.193418	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Na"	22.989218
"327210"	402.202447	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+H+Na"	23.996494
"715622"	597.304547	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+H+Na"	23.996494
"1470536"	207.100347	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H+Na"	23.996494
"1059406"	138.402656666667	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2H+Na"	25.00377
"1261087"	423.237686	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+CH3OH+H"	33.033486
"390236"	819.371558	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+K"	38.963158
"753420"	1209.575758	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+K"	38.963158
"1550366"	429.167358	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+K"	38.963158
"307541"	410.189417	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+H+K"	39.970434
"703244"	605.291517	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+H+K"	39.970434
"1458158"	215.087317	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H+K"	39.970434
"243483"	822.442226	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+ACN+H"	42.033826
"1214005"	432.238026	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+ACN+H"	42.033826
"1200074"	216.622651	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+ACN+2H"	43.041102
"194039"	825.37956	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+2Na-H"	44.97116
"635785"	1215.58376	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+2Na-H"	44.97116
"1140383"	435.17536	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2Na-H"	44.97116
"181486"	413.193418	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+2Na"	45.978436
"621046"	608.295518	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+2Na"	45.978436
"1117381"	218.091318	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2Na"	45.978436
"1400662"	145.729970666667	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H+2Na"	46.985712
"1434724"	437.216946	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H+HCOOH"	47.012746
"234762"	418.22644	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+3H2O+2H"	56.04448
"1521240"	451.26899	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+IsoProp+H"	61.06479
"422022"	421.180388	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+Na+K"	61.952376
"784111"	616.282488	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+Na+K"	61.952376
"1677889"	226.078288	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Na+K"	61.952376
"261493"	844.424168	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+ACN+Na"	64.015768
"1238580"	454.219968	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+ACN+Na"	64.015768
"1720903"	454.243493	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+NH4+HCOOH"	64.039293
"1187352"	153.057284666667	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+3Na"	68.967654
"1657245"	459.198888	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Na+HCOOH"	68.994688
"159733"	857.32744	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+2K-H"	76.91904
"604761"	1247.53164	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+2K-H"	76.91904
"1085990"	467.12324	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2K-H"	76.91904
"142076"	429.167358	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"2M+2K"	77.926316
"588936"	624.269458	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"3M+2K"	77.926316
"1071261"	234.065258	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2K"	77.926316
"1108847"	469.137792	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2K+H"	78.933592
"1340857"	469.225407	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+DMSO+H"	79.021207
"1014857"	473.264576	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2ACN+H"	83.060376
"1537842"	474.258208	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+IsoProp+Na+H"	84.054008
"1002709"	237.135926	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+2ACN+2H"	84.067652
"1602075"	475.172828	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+K+HCOOH"	84.968628
"1429435"	505.204338	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+H+CF3COOH"	115.000138
"1159720"	257.649201	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+3ACN+2H"	125.094202
"1705997"	522.230885	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+NH4+CF3COOH"	132.026685
"1638367"	527.18628	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+Na+CF3COOH"	136.98208
"1576205"	543.16022	"C09491"	"Laserolide"	"C22H30O6"	"390.2042"	"M+K+CF3COOH"	152.95602
"809854"	290.1518	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M"	0
"977190"	271.13341	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-H2O-H"	-19.01839
"69442"	192.427257333333	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M-3H"	-3.021828
"506816"	289.144524	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M-3H"	-3.021828
"882792"	95.7099906666667	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-3H"	-3.021828
"2828"	289.144524	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M-2H"	-2.014552
"446033"	434.220424	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M-2H"	-2.014552
"827117"	144.068624	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-2H"	-2.014552
"93915"	579.296324	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M-H"	-1.007276
"533841"	869.448124	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M-H"	-1.007276
"907752"	289.144524	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-H"	-1.007276
"59941"	596.322871	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M-2H+NH4"	16.019271
"502503"	886.474671	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M-2H+NH4"	16.019271
"879662"	306.171071	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-2H+NH4"	16.019271
"46796"	601.278266	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M-2H+Na"	20.974666
"486892"	891.430066	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M-2H+Na"	20.974666
"864079"	311.126466	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-2H+Na"	20.974666
"1633199"	311.126466	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Na-2H"	20.974666
"100981"	307.132863	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M-H+Cl"	33.962126
"540542"	452.208763	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M-H+Cl"	33.962126
"934057"	162.056963	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-H+Cl"	33.962126
"272982"	615.273002	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+Cl"	34.969402
"672691"	905.424802	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+Cl"	34.969402
"1280719"	325.121202	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Cl"	34.969402
"24372"	617.252206	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M-2H+K"	36.948606
"463931"	907.404006	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M-2H+K"	36.948606
"841737"	327.100406	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-2H+K"	36.948606
"1567414"	327.100406	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+K-2H"	36.948606
"949828"	335.149994	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-H+HCOOH"	44.998194
"372415"	625.301801	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+HCOOH-H"	44.998201
"356300"	639.317451	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+Hac-H"	59.013851
"1508363"	349.165651	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Hac-H"	59.013851
"969392"	357.131951	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-H+NaCOOH"	66.980151
"122674"	325.121202	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+2Cl"	69.938804
"555674"	470.197102	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+2Cl"	69.938804
"1027755"	180.045302	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2Cl"	69.938804
"1248428"	369.070685	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Br"	78.918885
"1318174"	371.126672	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Cl+HCOOH"	80.974872
"1333844"	393.108629	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Cl+NaCOOH"	102.956829
"923085"	403.137386	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M-H+CF3COOH"	112.985586
"1301616"	439.114064	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Cl+CF3COOH"	148.962264
"1380868"	255.139124	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H-2H2O"	-35.012676
"1397272"	273.1491	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H-H2O"	-17.0027
"297323"	581.310876	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+H"	1.007276
"690107"	871.462676	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+H"	1.007276
"1365728"	291.159076	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H"	1.007276
"139710"	291.159076	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+2H"	2.014552
"570157"	436.234976	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+2H"	2.014552
"1046982"	146.083176	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2H"	2.014552
"212694"	194.441809333333	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+3H"	3.021828
"650068"	291.159076	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+3H"	3.021828
"1174757"	97.7245426666667	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+3H"	3.021828
"438030"	598.337423	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+NH4"	18.033823
"800810"	888.489223	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+NH4"	18.033823
"1695728"	308.185623	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+NH4"	18.033823
"342542"	299.6723495	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+H+NH4"	19.041099
"738049"	444.7482495	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+H+NH4"	19.041099
"1492064"	154.5964495	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H+NH4"	19.041099
"405276"	603.292818	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+Na"	22.989218
"766268"	893.444618	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+Na"	22.989218
"1613275"	313.141018	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Na"	22.989218
"326591"	302.150047	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+H+Na"	23.996494
"715731"	447.225947	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+H+Na"	23.996494
"1470646"	157.074147	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H+Na"	23.996494
"1059517"	105.051856666667	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2H+Na"	25.00377
"1266661"	323.185286	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+CH3OH+H"	33.033486
"391440"	619.266758	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+K"	38.963158
"750612"	909.418558	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+K"	38.963158
"1548289"	329.114958	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+K"	38.963158
"307651"	310.137017	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+H+K"	39.970434
"701167"	455.212917	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+H+K"	39.970434
"1456081"	165.061117	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H+K"	39.970434
"244686"	622.337426	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+ACN+H"	42.033826
"1216666"	332.185626	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+ACN+H"	42.033826
"1202370"	166.596451	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+ACN+2H"	43.041102
"195242"	625.27476	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+2Na-H"	44.97116
"636988"	915.42656	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+2Na-H"	44.97116
"1140493"	335.12296	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2Na-H"	44.97116
"180502"	313.141018	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+2Na"	45.978436
"623343"	458.216918	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+2Na"	45.978436
"1118098"	168.065118	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2Na"	45.978436
"1401622"	112.379170666667	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H+2Na"	46.985712
"1432280"	337.164546	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H+HCOOH"	47.012746
"235590"	318.17404	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+3H2O+2H"	56.04448
"1521350"	351.21659	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+IsoProp+H"	61.06479
"415568"	321.127988	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+Na+K"	61.952376
"780939"	466.203888	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+Na+K"	61.952376
"1676176"	176.052088	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Na+K"	61.952376
"258326"	644.319368	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+ACN+Na"	64.015768
"1233221"	354.167568	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+ACN+Na"	64.015768
"1725024"	354.191093	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+NH4+HCOOH"	64.039293
"1191110"	119.706484666667	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+3Na"	68.967654
"1659545"	359.146488	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Na+HCOOH"	68.994688
"166405"	657.22264	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+2K-H"	76.91904
"609246"	947.37444	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+2K-H"	76.91904
"1092664"	367.07084	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2K-H"	76.91904
"142673"	329.114958	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"2M+2K"	77.926316
"582599"	474.190858	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"3M+2K"	77.926316
"1077933"	184.039058	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2K"	77.926316
"1111141"	369.085392	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2K+H"	78.933592
"1344247"	369.173007	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+DMSO+H"	79.021207
"1020191"	373.212176	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2ACN+H"	83.060376
"1536371"	374.205808	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+IsoProp+Na+H"	84.054008
"1005494"	187.109726	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+2ACN+2H"	84.067652
"1601577"	375.120428	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+K+HCOOH"	84.968628
"1427356"	405.151938	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+H+CF3COOH"	115.000138
"1157644"	207.623001	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+3ACN+2H"	125.094202
"1709388"	422.178485	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+NH4+CF3COOH"	132.026685
"1638477"	427.13388	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+Na+CF3COOH"	136.98208
"1576315"	443.10782	"C09492"	"Laurenobiolide"	"C17H22O4"	"290.1518"	"M+K+CF3COOH"	152.95602
"809964"	418.1628	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M"	0
"974869"	399.14441	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-H2O-H"	-19.01839
"62913"	277.767924	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M-3H"	-3.021828
"503646"	417.155524	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M-3H"	-3.021828
"882539"	138.380324	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-3H"	-3.021828
"2210"	417.155524	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M-2H"	-2.014552
"446143"	626.236924	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M-2H"	-2.014552
"823947"	208.074124	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-2H"	-2.014552
"92321"	835.318324	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M-H"	-1.007276
"532247"	1253.481124	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M-H"	-1.007276
"906768"	417.155524	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-H"	-1.007276
"60051"	852.344871	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M-2H+NH4"	16.019271
"501679"	1270.507671	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M-2H+NH4"	16.019271
"879444"	434.182071	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-2H+NH4"	16.019271
"46946"	857.300266	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M-2H+Na"	20.974666
"486707"	1275.463066	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M-2H+Na"	20.974666
"861950"	439.137466	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-2H+Na"	20.974666
"1632216"	439.137466	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Na-2H"	20.974666
"99997"	435.143863	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M-H+Cl"	33.962126
"537371"	644.225263	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M-H+Cl"	33.962126
"931980"	226.062463	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-H+Cl"	33.962126
"274914"	871.295002	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+Cl"	34.969402
"672801"	1289.457802	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+Cl"	34.969402
"1279736"	453.132202	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Cl"	34.969402
"24482"	873.274206	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M-2H+K"	36.948606
"460760"	1291.437006	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M-2H+K"	36.948606
"842940"	455.111406	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-2H+K"	36.948606
"1565336"	455.111406	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+K-2H"	36.948606
"952125"	463.160994	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-H+HCOOH"	44.998194
"372525"	881.323801	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+HCOOH-H"	44.998201
"356410"	895.339451	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+Hac-H"	59.013851
"1508164"	477.176651	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Hac-H"	59.013851
"969502"	485.142951	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-H+NaCOOH"	66.980151
"122784"	453.132202	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+2Cl"	69.938804
"552868"	662.213602	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+2Cl"	69.938804
"1027865"	244.050802	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2Cl"	69.938804
"1248538"	497.081685	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Br"	78.918885
"1317551"	499.137672	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Cl+HCOOH"	80.974872
"1332860"	521.119629	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Cl+NaCOOH"	102.956829
"923557"	531.148386	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M-H+CF3COOH"	112.985586
"1302090"	567.125064	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Cl+CF3COOH"	148.962264
"1381709"	383.150124	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H-2H2O"	-35.012676
"1396290"	401.1601	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H-H2O"	-17.0027
"296340"	837.332876	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+H"	1.007276
"689488"	1255.495676	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+H"	1.007276
"1364380"	419.170076	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H"	1.007276
"138726"	419.170076	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+2H"	2.014552
"567350"	628.251476	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+2H"	2.014552
"1048185"	210.088676	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2H"	2.014552
"213897"	279.782476	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+3H"	3.021828
"651271"	419.170076	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+3H"	3.021828
"1175960"	140.394876	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+3H"	3.021828
"437048"	854.359423	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+NH4"	18.033823
"799501"	1272.522223	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+NH4"	18.033823
"1695472"	436.196623	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+NH4"	18.033823
"344476"	427.6833495	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+H+NH4"	19.041099
"737632"	636.7647495	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+H+NH4"	19.041099
"1492448"	218.6019495	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H+NH4"	19.041099
"407938"	859.314818	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+Na"	22.989218
"767473"	1277.477618	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+Na"	22.989218
"1615573"	441.152018	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Na"	22.989218
"326701"	430.161047	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+H+Na"	23.996494
"715841"	639.242447	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+H+Na"	23.996494
"1471849"	221.079647	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H+Na"	23.996494
"1062906"	147.72219	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2H+Na"	25.00377
"1266771"	451.196286	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+CH3OH+H"	33.033486
"390822"	875.288758	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+K"	38.963158
"749629"	1293.451558	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+K"	38.963158
"1548399"	457.125958	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+K"	38.963158
"307761"	438.148017	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+H+K"	39.970434
"700184"	647.229417	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+H+K"	39.970434
"1454004"	229.066617	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H+K"	39.970434
"243703"	878.359426	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+ACN+H"	42.033826
"1215318"	460.196626	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+ACN+H"	42.033826
"1199199"	230.601951	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+ACN+2H"	43.041102
"192072"	881.29676	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+2Na-H"	44.97116
"630538"	1299.45956	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+2Na-H"	44.97116
"1142790"	463.13396	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2Na-H"	44.97116
"179519"	441.152018	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+2Na"	45.978436
"623453"	650.233418	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+2Na"	45.978436
"1117845"	232.070618	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2Na"	45.978436
"1400277"	155.049504	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H+2Na"	46.985712
"1432757"	465.175546	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H+HCOOH"	47.012746
"230117"	446.18504	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+3H2O+2H"	56.04448
"1515991"	479.22759	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+IsoProp+H"	61.06479
"416770"	449.138988	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+Na+K"	61.952376
"779956"	658.220388	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+Na+K"	61.952376
"1676286"	240.057588	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Na+K"	61.952376
"256250"	900.341368	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+ACN+Na"	64.015768
"1233331"	482.178568	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+ACN+Na"	64.015768
"1724041"	482.202093	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+NH4+HCOOH"	64.039293
"1189761"	162.376818	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+3Na"	68.967654
"1660748"	487.157488	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Na+HCOOH"	68.994688
"167244"	913.24464	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+2K-H"	76.91904
"607898"	1331.40744	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+2K-H"	76.91904
"1091681"	495.08184	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2K-H"	76.91904
"143151"	457.125958	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"2M+2K"	77.926316
"582101"	666.207358	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"3M+2K"	77.926316
"1074763"	248.044558	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2K"	77.926316
"1111251"	497.096392	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2K+H"	78.933592
"1341077"	497.184007	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+DMSO+H"	79.021207
"1017264"	501.223176	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2ACN+H"	83.060376
"1534295"	502.216808	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+IsoProp+Na+H"	84.054008
"1002930"	251.115226	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+2ACN+2H"	84.067652
"1600715"	503.131428	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+K+HCOOH"	84.968628
"1426373"	533.162938	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+H+CF3COOH"	115.000138
"1157754"	271.628501	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+3ACN+2H"	125.094202
"1709498"	550.189485	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+NH4+CF3COOH"	132.026685
"1638587"	555.14488	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+Na+CF3COOH"	136.98208
"1576425"	571.11882	"C09493"	"Liatrin"	"C22H26O8"	"418.1628"	"M+K+CF3COOH"	152.95602
"810074"	306.1467	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M"	0
"974858"	287.12831	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"63179"	203.090524	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"503756"	305.139424	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"882649"	101.041624	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"2320"	305.139424	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"446253"	458.212774	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"824057"	152.066074	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"93407"	611.286124	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"531873"	917.432824	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"907971"	305.139424	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"60528"	628.312671	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"501181"	934.459371	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"879229"	322.165971	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"46158"	633.268066	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"486576"	939.414766	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"862060"	327.121366	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1630867"	327.121366	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"99014"	323.127763	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"534725"	476.201113	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"929903"	170.054413	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"269921"	647.262802	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"664164"	953.409502	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1279846"	341.116102	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"21311"	649.242006	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"461963"	955.388706	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"839770"	343.095306	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1568363"	343.095306	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"952235"	351.144894	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"369355"	657.291601	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"355426"	671.307251	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1507424"	365.160551	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"966332"	373.126851	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"122894"	341.116102	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"552248"	494.189452	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1024695"	188.042752	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1243181"	385.065585	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1317661"	387.121572	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1332970"	409.103529	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"924031"	419.132286	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1302200"	455.108964	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1381091"	271.134024	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1396280"	289.144	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"296450"	613.300676	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"689963"	919.447376	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1365462"	307.153976	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"138836"	307.153976	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"567460"	460.227326	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1042827"	154.080626	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"214007"	205.105076	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"649193"	307.153976	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1174974"	103.056176	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"437153"	630.327223	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"798522"	936.473923	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1696310"	324.180523	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"343858"	315.6672495	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"735548"	468.7405995	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1491676"	162.5938995	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"407561"	635.282618	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"768313"	941.429318	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1616047"	329.135918	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"326810"	318.144947	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"717044"	471.218297	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1471957"	165.071597	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1061922"	110.38349	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1265787"	339.180186	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"390933"	651.256558	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"750831"	957.403258	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1551790"	345.109858	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"310059"	326.131917	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"703210"	479.205267	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1459219"	173.058567	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"245999"	654.327226	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1220894"	348.180526	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1202590"	174.593901	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"195462"	657.26456	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"638302"	963.41126	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1143631"	351.11786	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"186798"	329.135918	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"622470"	482.209268	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1119416"	176.062568	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1405126"	117.710804	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1440521"	353.159446	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"230956"	334.16894	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1516101"	367.21149	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"416880"	337.122888	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"782254"	490.196238	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1679678"	184.049538	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"258546"	676.309168	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1233441"	370.162468	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1725976"	370.185993	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1189872"	125.038118	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1660495"	375.141388	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"166261"	689.21244	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"606552"	995.35914	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1093613"	383.06574	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"142653"	345.109858	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"582091"	498.183208	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1071591"	192.036508	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1105894"	385.080292	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1341187"	385.167907	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1016279"	389.207076	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1533310"	390.200708	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"1000851"	195.107176	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1595357"	391.115328	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1424297"	421.146838	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1155678"	215.620451	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1709608"	438.173385	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1635781"	443.12878	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1576535"	459.10272	"C09494"	"Ligulatin B;Incanin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"810184"	260.1049	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M"	0
"974841"	241.08651	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-H2O-H"	-19.01839
"64304"	172.395990666667	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M-3H"	-3.021828
"503866"	259.097624	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M-3H"	-3.021828
"883852"	85.6943573333333	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-3H"	-3.021828
"3523"	259.097624	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M-2H"	-2.014552
"452923"	389.150074	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M-2H"	-2.014552
"829634"	129.045174	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-2H"	-2.014552
"93151"	519.202524	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M-H"	-1.007276
"532104"	779.307424	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M-H"	-1.007276
"908081"	259.097624	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-H"	-1.007276
"60152"	536.229071	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M-2H+NH4"	16.019271
"500933"	796.333971	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M-2H+NH4"	16.019271
"878004"	276.124171	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-2H+NH4"	16.019271
"46394"	541.184466	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M-2H+Na"	20.974666
"486441"	801.289366	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M-2H+Na"	20.974666
"862170"	281.079566	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-2H+Na"	20.974666
"1629156"	281.079566	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Na-2H"	20.974666
"104591"	277.085963	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M-H+Cl"	33.962126
"535405"	407.138413	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M-H+Cl"	33.962126
"932200"	147.033513	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-H+Cl"	33.962126
"270760"	555.179202	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+Cl"	34.969402
"670834"	815.284102	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+Cl"	34.969402
"1281049"	295.074302	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Cl"	34.969402
"21421"	557.158406	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M-2H+K"	36.948606
"462073"	817.263306	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M-2H+K"	36.948606
"834531"	297.053506	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-2H+K"	36.948606
"1568109"	297.053506	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+K-2H"	36.948606
"953439"	305.103094	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-H+HCOOH"	44.998194
"371652"	565.208001	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+HCOOH-H"	44.998201
"352255"	579.223651	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+Hac-H"	59.013851
"1508248"	319.118751	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Hac-H"	59.013851
"966442"	327.085051	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-H+NaCOOH"	66.980151
"117537"	295.074302	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+2Cl"	69.938804
"551994"	425.126752	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+2Cl"	69.938804
"1028085"	165.021852	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2Cl"	69.938804
"1243291"	339.023785	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Br"	78.918885
"1316312"	341.079772	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Cl+HCOOH"	80.974872
"1331987"	363.061729	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Cl+NaCOOH"	102.956829
"921953"	373.090486	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M-H+CF3COOH"	112.985586
"1299389"	409.067164	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Cl+CF3COOH"	148.962264
"1376820"	225.092224	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H-2H2O"	-35.012676
"1391035"	243.1022	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H-H2O"	-17.0027
"288536"	521.217076	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+H"	1.007276
"678770"	781.321976	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+H"	1.007276
"1360588"	261.112176	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H"	1.007276
"130197"	261.112176	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+2H"	2.014552
"567572"	391.164626	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+2H"	2.014552
"1040749"	131.059726	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2H"	2.014552
"208649"	174.410542666667	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+3H"	3.021828
"647114"	261.112176	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+3H"	3.021828
"1171804"	87.7089093333333	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+3H"	3.021828
"437263"	538.243623	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+NH4"	18.033823
"800090"	798.348523	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+NH4"	18.033823
"1694597"	278.138723	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+NH4"	18.033823
"343602"	269.6254495	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+H+NH4"	19.041099
"737480"	399.6778995	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+H+NH4"	19.041099
"1490932"	139.5729995	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H+NH4"	19.041099
"407063"	543.199018	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+Na"	22.989218
"767327"	803.303918	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+Na"	22.989218
"1614697"	283.094118	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Na"	22.989218
"322547"	272.103147	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+H+Na"	23.996494
"713873"	402.155597	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+H+Na"	23.996494
"1467694"	142.050697	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H+Na"	23.996494
"1060939"	95.0362233333333	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2H+Na"	25.00377
"1263711"	293.138386	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+CH3OH+H"	33.033486
"391043"	559.172958	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+K"	38.963158
"749484"	819.277858	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+K"	38.963158
"1551536"	299.068058	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+K"	38.963158
"310169"	280.090117	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+H+K"	39.970434
"703684"	410.142567	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+H+K"	39.970434
"1457143"	150.037667	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H+K"	39.970434
"246474"	562.243626	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+ACN+H"	42.033826
"1221370"	302.138726	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+ACN+H"	42.033826
"1200513"	151.573001	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+ACN+2H"	43.041102
"193385"	565.18096	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+2Na-H"	44.97116
"637318"	825.28586	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+2Na-H"	44.97116
"1145196"	305.07606	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2Na-H"	44.97116
"187274"	283.094118	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+2Na"	45.978436
"623673"	413.146568	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+2Na"	45.978436
"1124993"	153.041668	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2Na"	45.978436
"1406330"	102.363537333333	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H+2Na"	46.985712
"1441725"	307.117646	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H+HCOOH"	47.012746
"230703"	288.12714	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+3H2O+2H"	56.04448
"1516211"	321.16969	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+IsoProp+H"	61.06479
"416990"	291.081088	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+Na+K"	61.952376
"781636"	421.133538	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+Na+K"	61.952376
"1678332"	161.028638	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Na+K"	61.952376
"258656"	584.225568	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+ACN+Na"	64.015768
"1236105"	324.120668	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+ACN+Na"	64.015768
"1724627"	324.144193	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+NH4+HCOOH"	64.039293
"1189981"	109.690851333333	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+3Na"	68.967654
"1660605"	329.099588	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Na+HCOOH"	68.994688
"164911"	597.12884	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+2K-H"	76.91904
"605931"	857.23374	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+2K-H"	76.91904
"1091535"	337.02394	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2K-H"	76.91904
"145437"	299.068058	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"2M+2K"	77.926316
"583051"	429.120508	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"3M+2K"	77.926316
"1071701"	169.015608	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2K"	77.926316
"1106004"	339.038492	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2K+H"	78.933592
"1338381"	339.126107	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+DMSO+H"	79.021207
"1015295"	343.165276	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2ACN+H"	83.060376
"1534513"	344.158908	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+IsoProp+Na+H"	84.054008
"1000961"	172.086276	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+2ACN+2H"	84.067652
"1596560"	345.073528	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+K+HCOOH"	84.968628
"1425500"	375.105038	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+H+CF3COOH"	115.000138
"1156881"	192.599551	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+3ACN+2H"	125.094202
"1709718"	392.131585	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+NH4+CF3COOH"	132.026685
"1635891"	397.08698	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+Na+CF3COOH"	136.98208
"1576645"	413.06092	"C09495"	"Linderane"	"C15H16O4"	"260.1049"	"M+K+CF3COOH"	152.95602
"816779"	304.1311	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M"	0
"987846"	285.11271	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-H2O-H"	-19.01839
"76697"	201.746790666667	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M-3H"	-3.021828
"516746"	303.123824	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M-3H"	-3.021828
"893816"	100.369757333333	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-3H"	-3.021828
"15307"	303.123824	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M-2H"	-2.014552
"455356"	455.189374	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M-2H"	-2.014552
"832061"	151.058274	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-2H"	-2.014552
"93958"	607.254924	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M-H"	-1.007276
"532957"	911.386024	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M-H"	-1.007276
"910715"	303.123824	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-H"	-1.007276
"61976"	624.281471	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M-2H+NH4"	16.019271
"501900"	928.412571	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M-2H+NH4"	16.019271
"878977"	320.150371	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-2H+NH4"	16.019271
"46138"	629.236866	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M-2H+Na"	20.974666
"485935"	933.367966	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M-2H+Na"	20.974666
"862280"	325.105766	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-2H+Na"	20.974666
"1621614"	325.105766	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Na-2H"	20.974666
"100335"	321.112163	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M-H+Cl"	33.962126
"548040"	473.177713	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M-H+Cl"	33.962126
"938881"	169.046613	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-H+Cl"	33.962126
"280717"	643.231602	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+Cl"	34.969402
"672045"	947.362702	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+Cl"	34.969402
"1283356"	339.100502	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Cl"	34.969402
"25913"	645.210806	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M-2H+K"	36.948606
"466565"	949.341906	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M-2H+K"	36.948606
"844368"	341.079706	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-2H+K"	36.948606
"1570407"	341.079706	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+K-2H"	36.948606
"955377"	349.129294	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-H+HCOOH"	44.998194
"373229"	653.260401	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+HCOOH-H"	44.998201
"359903"	667.276051	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+Hac-H"	59.013851
"1507522"	363.144951	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Hac-H"	59.013851
"973361"	371.111251	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-H+NaCOOH"	66.980151
"118743"	339.100502	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+2Cl"	69.938804
"558302"	491.166052	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+2Cl"	69.938804
"1024916"	187.034952	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2Cl"	69.938804
"1254346"	383.049985	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Br"	78.918885
"1316068"	385.105972	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Cl+HCOOH"	80.974872
"1329914"	407.087929	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Cl+NaCOOH"	102.956829
"922065"	417.116686	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M-H+CF3COOH"	112.985586
"1298771"	453.093364	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Cl+CF3COOH"	148.962264
"1379122"	269.118424	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H-2H2O"	-35.012676
"1394433"	287.1284	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H-H2O"	-17.0027
"288651"	609.269476	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+H"	1.007276
"687631"	913.400576	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+H"	1.007276
"1359606"	305.138376	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H"	1.007276
"133595"	305.138376	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+2H"	2.014552
"574248"	457.203926	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+2H"	2.014552
"1043046"	153.072826	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2H"	2.014552
"208759"	203.761342666667	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+3H"	3.021828
"654881"	305.138376	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+3H"	3.021828
"1177871"	102.384309333333	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+3H"	3.021828
"439201"	626.296023	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+NH4"	18.033823
"801172"	930.427123	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+NH4"	18.033823
"1696731"	322.164923	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+NH4"	18.033823
"344444"	313.6516495	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+H+NH4"	19.041099
"736500"	465.7171995	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+H+NH4"	19.041099
"1491414"	161.5860995	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H+NH4"	19.041099
"406811"	631.251418	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+Na"	22.989218
"768896"	935.382518	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+Na"	22.989218
"1614806"	327.120318	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Na"	22.989218
"320469"	316.129347	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+H+Na"	23.996494
"722009"	468.194897	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+H+Na"	23.996494
"1476442"	164.063797	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H+Na"	23.996494
"1067615"	109.711623333333	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2H+Na"	25.00377
"1272300"	337.164586	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+CH3OH+H"	33.033486
"392741"	647.225358	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+K"	38.963158
"754102"	951.356458	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+K"	38.963158
"1550918"	343.094258	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+K"	38.963158
"310280"	324.116317	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+H+K"	39.970434
"704891"	476.181867	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+H+K"	39.970434
"1453244"	172.050767	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H+K"	39.970434
"242938"	650.296026	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+ACN+H"	42.033826
"1216740"	346.164926	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+ACN+H"	42.033826
"1198436"	173.586101	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+ACN+2H"	43.041102
"197866"	653.23336	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+2Na-H"	44.97116
"641800"	957.36446	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+2Na-H"	44.97116
"1139839"	349.10226	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2Na-H"	44.97116
"180941"	327.120318	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+2Na"	45.978436
"615768"	479.185868	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+2Na"	45.978436
"1124014"	175.054768	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2Na"	45.978436
"1405350"	117.038937333333	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H+2Na"	46.985712
"1440749"	351.143846	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H+HCOOH"	47.012746
"235075"	332.15334	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+3H2O+2H"	56.04448
"1523261"	365.19589	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+IsoProp+H"	61.06479
"422581"	335.107288	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+Na+K"	61.952376
"783576"	487.172838	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+Na+K"	61.952376
"1676989"	183.041738	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Na+K"	61.952376
"262780"	672.277968	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+ACN+Na"	64.015768
"1237310"	368.146868	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+ACN+Na"	64.015768
"1725832"	368.170393	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+NH4+HCOOH"	64.039293
"1188999"	124.366251333333	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+3Na"	68.967654
"1659618"	373.125788	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Na+HCOOH"	68.994688
"165750"	685.18124	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+2K-H"	76.91904
"602031"	989.31234	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+2K-H"	76.91904
"1088734"	381.05014	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2K-H"	76.91904
"156378"	343.094258	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"2M+2K"	77.926316
"596058"	495.159808	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"3M+2K"	77.926316
"1083860"	191.028708	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2K"	77.926316
"1112559"	383.064692	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2K+H"	78.933592
"1342503"	383.152307	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+DMSO+H"	79.021207
"1012127"	387.191476	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2ACN+H"	83.060376
"1539615"	388.185108	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+IsoProp+Na+H"	84.054008
"997792"	194.099376	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+2ACN+2H"	84.067652
"1595578"	389.099728	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+K+HCOOH"	84.968628
"1419050"	419.131238	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+H+CF3COOH"	115.000138
"1159182"	214.612651	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+3ACN+2H"	125.094202
"1709828"	436.157785	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+NH4+CF3COOH"	132.026685
"1636001"	441.11318	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+Na+CF3COOH"	136.98208
"1576755"	457.08712	"C09496"	"Linifolin A"	"C17H20O5"	"304.1311"	"M+K+CF3COOH"	152.95602
"807124"	306.1467	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M"	0
"974238"	287.12831	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"62918"	203.090524	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"516491"	305.139424	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"894899"	101.041624	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"15461"	305.139424	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"455298"	458.212774	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"832601"	152.066074	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"94176"	611.286124	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"534161"	917.432824	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"909403"	305.139424	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"62654"	628.312671	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"502618"	934.459371	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"879534"	322.165971	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"46487"	633.268066	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"484223"	939.414766	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"860568"	327.121366	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1625004"	327.121366	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"101538"	323.127763	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"548514"	476.201113	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"937895"	170.054413	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"276452"	647.262802	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"672155"	953.409502	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1286018"	341.116102	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"26023"	649.242006	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"468862"	955.388706	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"845571"	343.095306	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1569787"	343.095306	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"956944"	351.144894	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"375159"	657.291601	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"357948"	671.307251	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1507875"	365.160551	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"966666"	373.126851	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"118853"	341.116102	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"556225"	494.189452	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1023203"	188.042752	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1250811"	385.065585	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1315448"	387.121572	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1330024"	409.103529	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"922175"	419.132286	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1297788"	455.108964	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1379233"	271.134024	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1394180"	289.144	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"288761"	613.300676	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"684461"	919.447376	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1359716"	307.153976	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"133341"	307.153976	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"572171"	460.227326	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1042062"	154.080626	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"207774"	205.105076	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"651711"	307.153976	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1177738"	103.056176	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"438220"	630.327223	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"801032"	936.473923	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1695908"	324.180523	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"344554"	315.6672495	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"737704"	468.7405995	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1492253"	162.5938995	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"406921"	635.282618	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"766819"	941.429318	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1611636"	329.135918	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"319485"	318.144947	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"722079"	471.218297	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1476670"	165.071597	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1064809"	110.38349	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1272656"	339.180186	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"392484"	651.256558	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"754128"	957.403258	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1551028"	345.109858	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"308203"	326.131917	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"705000"	479.205267	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1452260"	173.058567	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"241955"	654.327226	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1214663"	348.180526	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1198545"	174.593901	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"197976"	657.26456	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"637536"	963.41126	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1138854"	351.11786	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"181051"	329.135918	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"615511"	482.209268	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1124123"	176.062568	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1404367"	117.710804	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1439765"	353.159446	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"234577"	334.16894	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1522278"	367.21149	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"421964"	337.122888	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"782591"	490.196238	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1675274"	184.049538	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"261793"	676.309168	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1238513"	370.162468	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1725940"	370.185993	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1192388"	125.038118	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1662279"	375.141388	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"165859"	689.21244	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"601049"	995.35914	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1086657"	383.06574	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"155637"	345.109858	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"596820"	498.183208	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1083886"	192.036508	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1112790"	385.080292	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1343706"	385.167907	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1013330"	389.207076	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1539603"	390.200708	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"998995"	195.107176	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1594593"	391.115328	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1418066"	421.146838	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1159292"	215.620451	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1709938"	438.173385	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1636111"	443.12878	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1576865"	459.10272	"C09497"	"Lipiferolide"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"810514"	264.1362	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M"	0
"974348"	245.11781	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"63174"	175.083524	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"516966"	263.128924	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"894645"	87.038124	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"14432"	263.128924	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"453991"	395.197024	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"830698"	131.060824	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"93730"	527.265124	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"534027"	791.401324	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"910000"	263.128924	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"62561"	544.291671	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"502689"	808.427871	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"879847"	280.155471	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"46965"	549.247066	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"484580"	813.383266	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"860314"	285.110866	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1626207"	285.110866	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"97268"	281.117263	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"547410"	413.185363	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"938734"	149.049163	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"279114"	563.241802	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"673360"	827.378002	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1284305"	299.105602	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"23946"	565.221006	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"465691"	829.357206	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"845682"	301.084806	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1570262"	301.084806	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"956933"	309.134394	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"375268"	573.270601	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"359151"	587.286251	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1508066"	323.150051	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"966776"	331.116351	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"121150"	299.105602	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"556336"	431.173702	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1022949"	167.037502	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1252017"	343.055085	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1314830"	345.111072	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1330136"	367.093029	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"923015"	377.121786	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1298991"	413.098464	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1381531"	229.123524	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1395747"	247.1335	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"292151"	529.279676	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"684571"	793.415876	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1359826"	265.143476	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"136731"	265.143476	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"566933"	397.211576	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1038163"	133.075376	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"206791"	177.098076	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"648541"	265.143476	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1177482"	89.052676	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"435408"	546.306223	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"796038"	810.442423	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1694556"	282.170023	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"342107"	273.6567495	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"737692"	405.7248495	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1491633"	141.5886495	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"407759"	551.261618	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"768024"	815.397818	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1611746"	287.125418	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"318502"	276.134447	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"722349"	408.202547	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1476291"	144.066347	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1065648"	96.37999	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1272639"	297.169686	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"392670"	567.235558	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"753787"	831.371758	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1548951"	303.099358	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"305033"	284.121417	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"704988"	416.189517	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1455650"	152.053317	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"242065"	570.306226	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1215866"	306.170026	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1198656"	153.588651	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"195899"	573.24356	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"637645"	837.37976	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1138965"	309.10736	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"182254"	287.125418	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"615258"	419.193518	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1124233"	155.057318	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1406663"	103.707304	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1437689"	311.148946	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"226652"	292.15844	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1523116"	325.20099	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"421343"	295.112388	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"783796"	427.180488	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1672469"	163.044288	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"263363"	592.288168	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1239351"	328.151968	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1724957"	328.175493	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1193349"	111.034618	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1664212"	333.130888	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"164876"	605.19144	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"602252"	869.32764	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1088954"	341.05524	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"157102"	303.099358	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"596896"	435.167458	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1083959"	171.031258	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1112900"	343.069792	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1344910"	343.157407	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1015626"	347.196576	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1539755"	348.190208	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"999105"	174.101926	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1595796"	349.104828	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1418176"	379.136338	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1158309"	194.615201	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1710048"	396.162885	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1636221"	401.11828	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1576975"	417.09222	"C09498"	"Ludovicin A"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"801875"	306.1467	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M"	0
"976132"	287.12831	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"63685"	203.090524	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"517076"	305.139424	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"895120"	101.041624	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"14907"	305.139424	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"453371"	458.212774	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"830078"	152.066074	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"92503"	611.286124	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"533284"	917.432824	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"909501"	305.139424	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"62585"	628.312671	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"502350"	934.459371	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"879421"	322.165971	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"46346"	633.268066	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"484570"	939.414766	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"861763"	327.121366	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1627411"	327.121366	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"95556"	323.127763	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"536939"	476.201113	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"932642"	170.054413	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"274482"	647.262802	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"669094"	953.409502	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1285511"	341.116102	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"28427"	649.242006	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"469082"	955.388706	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"847898"	343.095306	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1571144"	343.095306	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"953879"	351.144894	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"376596"	657.291601	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"360354"	671.307251	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1508095"	365.160551	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"971988"	373.126851	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"119073"	341.116102	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"550978"	494.189452	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1024152"	188.042752	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1251399"	385.065585	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1314940"	387.121572	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1333524"	409.103529	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"922393"	419.132286	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1296914"	455.108964	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1382006"	271.134024	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1396222"	289.144	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"292261"	613.300676	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"684681"	919.447376	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1359936"	307.153976	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"135017"	307.153976	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"569108"	460.227326	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1039000"	154.080626	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"206899"	205.105076	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"646463"	307.153976	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1175162"	103.056176	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"435883"	630.327223	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"793231"	936.473923	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1687375"	324.180523	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"341854"	315.6672495	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"733180"	468.7405995	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1487363"	162.5938995	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"397295"	635.282618	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"762664"	941.429318	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1603348"	329.135918	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"317518"	318.144947	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"719057"	471.218297	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1473974"	165.071597	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1066489"	110.38349	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1270601"	339.180186	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"390879"	651.256558	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"752481"	957.403258	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1547968"	345.109858	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"305143"	326.131917	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"701939"	479.205267	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1453572"	173.058567	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"244359"	654.327226	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1215976"	348.180526	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1198763"	174.593901	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"198195"	657.26456	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"635567"	963.41126	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1144178"	351.11786	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"182000"	329.135918	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"616461"	482.209268	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1123250"	176.062568	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1404221"	117.710804	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1437799"	353.159446	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"226400"	334.16894	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1521398"	367.21149	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"420356"	337.122888	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"779162"	490.196238	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1673670"	184.049538	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"259097"	676.309168	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1235087"	370.162468	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1724702"	370.185993	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1188232"	125.038118	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1662135"	375.141388	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"166080"	689.21244	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"601266"	995.35914	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1089062"	383.06574	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"156587"	345.109858	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"597034"	498.183208	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1083983"	192.036508	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1113010"	385.080292	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1347206"	385.167907	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1015736"	389.207076	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1539578"	390.200708	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"999215"	195.107176	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1595906"	391.115328	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1420473"	421.146838	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1159512"	215.620451	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1711251"	438.173385	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1635967"	443.12878	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1577084"	459.10272	"C09499"	"Matricin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"807454"	420.142	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M"	0
"974786"	401.12361	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-H2O-H"	-19.01839
"64121"	279.087390666667	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M-3H"	-3.021828
"514998"	419.134724	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M-3H"	-3.021828
"893891"	139.040057333333	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-3H"	-3.021828
"14531"	419.134724	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M-2H"	-2.014552
"453480"	629.205724	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M-2H"	-2.014552
"831281"	209.063724	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-2H"	-2.014552
"92003"	839.276724	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M-H"	-1.007276
"529748"	1259.418724	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M-H"	-1.007276
"909247"	419.134724	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-H"	-1.007276
"59732"	856.303271	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M-2H+NH4"	16.019271
"501609"	1276.445271	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M-2H+NH4"	16.019271
"876731"	436.161271	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-2H+NH4"	16.019271
"44996"	861.258666	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M-2H+Na"	20.974666
"484192"	1281.400666	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M-2H+Na"	20.974666
"862601"	441.116666	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-2H+Na"	20.974666
"1619014"	441.116666	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Na-2H"	20.974666
"94300"	437.123063	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M-H+Cl"	33.962126
"534609"	647.194063	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M-H+Cl"	33.962126
"927405"	227.052063	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-H+Cl"	33.962126
"271311"	875.253402	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+Cl"	34.969402
"661662"	1295.395402	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+Cl"	34.969402
"1283795"	455.111402	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Cl"	34.969402
"29874"	877.232606	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M-2H+K"	36.948606
"469921"	1297.374606	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M-2H+K"	36.948606
"845899"	457.090606	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-2H+K"	36.948606
"1570119"	457.090606	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+K-2H"	36.948606
"953989"	465.140194	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-H+HCOOH"	44.998194
"376583"	885.282201	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+HCOOH-H"	44.998201
"359370"	899.297851	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+Hac-H"	59.013851
"1504921"	479.155851	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Hac-H"	59.013851
"969182"	487.122151	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-H+NaCOOH"	66.980151
"113715"	455.111402	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+2Cl"	69.938804
"551450"	665.182402	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+2Cl"	69.938804
"1021708"	245.040402	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2Cl"	69.938804
"1254422"	499.060885	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Br"	78.918885
"1318328"	501.116872	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Cl+HCOOH"	80.974872
"1333634"	523.098829	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Cl+NaCOOH"	102.956829
"921410"	533.127586	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M-H+CF3COOH"	112.985586
"1297024"	569.104264	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Cl+CF3COOH"	148.962264
"1381020"	385.129324	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H-2H2O"	-35.012676
"1396330"	403.1393	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H-H2O"	-17.0027
"292371"	841.291276	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+H"	1.007276
"683697"	1261.433276	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+H"	1.007276
"1360046"	421.149276	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H"	1.007276
"135127"	421.149276	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+2H"	2.014552
"568125"	631.220276	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+2H"	2.014552
"1038499"	211.078276	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2H"	2.014552
"206034"	281.101942666667	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+3H"	3.021828
"648760"	421.149276	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+3H"	3.021828
"1175272"	141.054609333333	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+3H"	3.021828
"436357"	858.317823	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+NH4"	18.033823
"795527"	1278.459823	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+NH4"	18.033823
"1687485"	438.175823	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+NH4"	18.033823
"342692"	429.6625495	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+H+NH4"	19.041099
"733654"	639.7335495	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+H+NH4"	19.041099
"1486380"	219.5915495	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H+NH4"	19.041099
"396312"	863.273218	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+Na"	22.989218
"762774"	1283.415218	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+Na"	22.989218
"1604673"	443.131218	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Na"	22.989218
"317628"	432.140247	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+H+Na"	23.996494
"719896"	642.211247	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+H+Na"	23.996494
"1475541"	222.069247	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H+Na"	23.996494
"1067328"	148.381923333333	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2H+Na"	25.00377
"1271198"	453.175486	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+CH3OH+H"	33.033486
"390867"	879.247158	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+K"	38.963158
"752227"	1299.389158	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+K"	38.963158
"1550264"	459.105158	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+K"	38.963158
"306346"	440.127217	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+H+K"	39.970434
"703142"	650.198217	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+H+K"	39.970434
"1454775"	230.056217	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H+K"	39.970434
"244469"	882.317826	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+ACN+H"	42.033826
"1216086"	462.175826	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+ACN+H"	42.033826
"1198508"	231.591551	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+ACN+2H"	43.041102
"198306"	885.25516	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+2Na-H"	44.97116
"638958"	1305.39716	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+2Na-H"	44.97116
"1141006"	465.11316	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2Na-H"	44.97116
"185391"	443.131218	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+2Na"	45.978436
"619847"	653.202218	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+2Na"	45.978436
"1120443"	233.060218	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2Na"	45.978436
"1403967"	155.709237333333	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H+2Na"	46.985712
"1435722"	467.154746	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H+HCOOH"	47.012746
"226510"	448.16424	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+3H2O+2H"	56.04448
"1519685"	481.20679	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+IsoProp+H"	61.06479
"420466"	451.118188	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+Na+K"	61.952376
"781824"	661.189188	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+Na+K"	61.952376
"1670500"	241.047188	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Na+K"	61.952376
"262123"	904.299768	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+ACN+Na"	64.015768
"1230822"	484.157768	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+ACN+Na"	64.015768
"1721532"	484.181293	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+NH4+HCOOH"	64.039293
"1187249"	163.036551333333	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+3Na"	68.967654
"1662245"	489.136688	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Na+HCOOH"	68.994688
"169107"	917.20304	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+2K-H"	76.91904
"601376"	1337.34504	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+2K-H"	76.91904
"1085889"	497.06104	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2K-H"	76.91904
"156332"	459.105158	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"2M+2K"	77.926316
"596131"	669.176158	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"3M+2K"	77.926316
"1083683"	249.034158	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2K"	77.926316
"1113120"	499.075592	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2K+H"	78.933592
"1345129"	499.163207	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+DMSO+H"	79.021207
"1019126"	503.202376	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2ACN+H"	83.060376
"1538958"	504.196008	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+IsoProp+Na+H"	84.054008
"998232"	252.104826	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+2ACN+2H"	84.067652
"1599296"	505.110628	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+K+HCOOH"	84.968628
"1423863"	535.142138	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+H+CF3COOH"	115.000138
"1147836"	272.618101	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+3ACN+2H"	125.094202
"1708081"	552.168685	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+NH4+CF3COOH"	132.026685
"1634454"	557.12408	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+Na+CF3COOH"	136.98208
"1571397"	573.09802	"C09500"	"Melampodin A"	"C21H24O9"	"420.142"	"M+K+CF3COOH"	152.95602
"807564"	522.1737	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M"	0
"974896"	503.15531	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-H2O-H"	-19.01839
"64232"	347.108524	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M-3H"	-3.021828
"518270"	521.166424	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M-3H"	-3.021828
"894732"	173.050624	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-3H"	-3.021828
"13675"	521.166424	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M-2H"	-2.014552
"453234"	782.253274	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M-2H"	-2.014552
"830179"	260.079574	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-2H"	-2.014552
"92235"	1043.340124	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M-H"	-1.007276
"530950"	1565.513824	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M-H"	-1.007276
"905471"	521.166424	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-H"	-1.007276
"58751"	1060.366671	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M-2H+NH4"	16.019271
"502198"	1582.540371	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M-2H+NH4"	16.019271
"879515"	538.192971	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-2H+NH4"	16.019271
"46730"	1065.322066	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M-2H+Na"	20.974666
"481389"	1587.495766	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M-2H+Na"	20.974666
"861013"	543.148366	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-2H+Na"	20.974666
"1620339"	543.148366	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Na-2H"	20.974666
"96503"	539.154763	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M-H+Cl"	33.962126
"534884"	800.241613	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M-H+Cl"	33.962126
"928719"	278.067913	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-H+Cl"	33.962126
"272514"	1079.316802	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+Cl"	34.969402
"661043"	1601.490502	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+Cl"	34.969402
"1285363"	557.143102	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Cl"	34.969402
"27553"	1081.296006	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M-2H+K"	36.948606
"470032"	1603.469706	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M-2H+K"	36.948606
"846009"	559.122306	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-2H+K"	36.948606
"1570594"	559.122306	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+K-2H"	36.948606
"953006"	567.171894	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-H+HCOOH"	44.998194
"376205"	1089.345601	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+HCOOH-H"	44.998201
"356200"	1103.361251	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+Hac-H"	59.013851
"1507220"	581.187551	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Hac-H"	59.013851
"968199"	589.153851	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-H+NaCOOH"	66.980151
"116012"	557.143102	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+2Cl"	69.938804
"553747"	818.229952	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+2Cl"	69.938804
"1025831"	296.056252	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2Cl"	69.938804
"1254896"	601.092585	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Br"	78.918885
"1317346"	603.148572	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Cl+HCOOH"	80.974872
"1334109"	625.130529	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Cl+NaCOOH"	102.956829
"924800"	635.159286	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M-H+CF3COOH"	112.985586
"1296041"	671.135964	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Cl+CF3COOH"	148.962264
"1381130"	487.161024	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H-2H2O"	-35.012676
"1396804"	505.171	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H-H2O"	-17.0027
"296857"	1045.354676	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+H"	1.007276
"685995"	1567.528376	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+H"	1.007276
"1361981"	523.180976	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H"	1.007276
"130864"	523.180976	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+2H"	2.014552
"567506"	784.267826	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+2H"	2.014552
"1038852"	262.094126	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2H"	2.014552
"205536"	349.123076	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+3H"	3.021828
"651059"	523.180976	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+3H"	3.021828
"1173561"	175.065176	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+3H"	3.021828
"437927"	1062.381223	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+NH4"	18.033823
"793452"	1584.554923	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+NH4"	18.033823
"1689782"	540.207523	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+NH4"	18.033823
"342437"	531.6942495	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+H+NH4"	19.041099
"732671"	792.7810995	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+H+NH4"	19.041099
"1486490"	270.6073995	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H+NH4"	19.041099
"396422"	1067.336618	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+Na"	22.989218
"762884"	1589.510318	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+Na"	22.989218
"1605147"	545.162918	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Na"	22.989218
"319924"	534.171947	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+H+Na"	23.996494
"720005"	795.258797	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+H+Na"	23.996494
"1475286"	273.085097	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H+Na"	23.996494
"1067438"	182.39249	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2H+Na"	25.00377
"1272319"	555.207186	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+CH3OH+H"	33.033486
"392434"	1083.310558	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+K"	38.963158
"754036"	1605.484258	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+K"	38.963158
"1549281"	561.136858	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+K"	38.963158
"307549"	542.158917	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+H+K"	39.970434
"703252"	803.245767	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+H+K"	39.970434
"1454885"	281.072067	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H+K"	39.970434
"245672"	1086.381226	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+ACN+H"	42.033826
"1219474"	564.207526	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+ACN+H"	42.033826
"1203358"	282.607401	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+ACN+2H"	43.041102
"202790"	1089.31856	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+2Na-H"	44.97116
"643687"	1611.49226	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+2Na-H"	44.97116
"1142576"	567.14486	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2Na-H"	44.97116
"185501"	545.162918	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+2Na"	45.978436
"619957"	806.249768	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+2Na"	45.978436
"1120553"	284.076068	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2Na"	45.978436
"1403713"	189.719804	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H+2Na"	46.985712
"1436925"	569.186446	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H+HCOOH"	47.012746
"224433"	550.19594	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+3H2O+2H"	56.04448
"1522224"	583.23849	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+IsoProp+H"	61.06479
"420940"	553.149888	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+Na+K"	61.952376
"781570"	814.236738	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+Na+K"	61.952376
"1674982"	292.063038	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Na+K"	61.952376
"262233"	1108.363168	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+ACN+Na"	64.015768
"1234212"	586.189468	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+ACN+Na"	64.015768
"1720911"	586.212993	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+NH4+HCOOH"	64.039293
"1188452"	197.047118	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+3Na"	68.967654
"1662355"	591.168388	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Na+HCOOH"	68.994688
"169217"	1121.26644	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+2K-H"	76.91904
"601486"	1643.44014	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+2K-H"	76.91904
"1085999"	599.09274	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2K-H"	76.91904
"156203"	561.136858	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"2M+2K"	77.926316
"596856"	822.223708	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"3M+2K"	77.926316
"1084104"	300.050008	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2K"	77.926316
"1113230"	601.107292	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2K+H"	78.933592
"1345239"	601.194907	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+DMSO+H"	79.021207
"1019236"	605.234076	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2ACN+H"	83.060376
"1539190"	606.227708	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+IsoProp+Na+H"	84.054008
"1000529"	303.120676	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+2ACN+2H"	84.067652
"1599406"	607.142328	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+K+HCOOH"	84.968628
"1426161"	637.173838	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+H+CF3COOH"	115.000138
"1147499"	323.633951	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+3ACN+2H"	125.094202
"1698714"	654.200385	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+NH4+CF3COOH"	132.026685
"1634294"	659.15578	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+Na+CF3COOH"	136.98208
"1571319"	675.12972	"C09501"	"Melampodinin"	"C25H30O12"	"522.1737"	"M+K+CF3COOH"	152.95602
"807674"	310.1053	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M"	0
"975734"	291.08691	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-H2O-H"	-19.01839
"65070"	205.729590666667	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M-3H"	-3.021828
"517408"	309.098024	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M-3H"	-3.021828
"895455"	102.361157333333	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-3H"	-3.021828
"13058"	309.098024	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M-2H"	-2.014552
"453348"	464.150674	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M-2H"	-2.014552
"831830"	154.045374	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-2H"	-2.014552
"90401"	619.203324	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M-H"	-1.007276
"531672"	929.308624	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M-H"	-1.007276
"908862"	309.098024	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-H"	-1.007276
"60806"	636.229871	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M-2H+NH4"	16.019271
"502393"	946.335171	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M-2H+NH4"	16.019271
"878897"	326.124571	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-2H+NH4"	16.019271
"46311"	641.185266	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M-2H+Na"	20.974666
"484779"	951.290566	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M-2H+Na"	20.974666
"862579"	331.079966	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-2H+Na"	20.974666
"1632110"	331.079966	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Na-2H"	20.974666
"98800"	327.086363	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M-H+Cl"	33.962126
"536537"	482.139013	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M-H+Cl"	33.962126
"928348"	172.033713	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-H+Cl"	33.962126
"270801"	655.180002	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+Cl"	34.969402
"663221"	965.285302	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+Cl"	34.969402
"1285837"	345.074702	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Cl"	34.969402
"27663"	657.159206	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M-2H+K"	36.948606
"469778"	967.264506	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M-2H+K"	36.948606
"847944"	347.053906	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-2H+K"	36.948606
"1570705"	347.053906	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+K-2H"	36.948606
"953116"	355.103494	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-H+HCOOH"	44.998194
"376436"	665.208801	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+HCOOH-H"	44.998201
"359592"	679.224451	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+Hac-H"	59.013851
"1507575"	369.119151	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Hac-H"	59.013851
"971590"	377.085451	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-H+NaCOOH"	66.980151
"122682"	345.074702	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+2Cl"	69.938804
"553493"	500.127352	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+2Cl"	69.938804
"1028857"	190.022052	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2Cl"	69.938804
"1253910"	389.024185	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Br"	78.918885
"1316726"	391.080172	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Cl+HCOOH"	80.974872
"1334583"	413.062129	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Cl+NaCOOH"	102.956829
"922724"	423.090886	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M-H+CF3COOH"	112.985586
"1299430"	459.067564	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Cl+CF3COOH"	148.962264
"1373217"	275.092624	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H-2H2O"	-35.012676
"1392903"	293.1026	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H-H2O"	-17.0027
"291496"	621.217876	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+H"	1.007276
"679542"	931.323176	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+H"	1.007276
"1352975"	311.112576	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H"	1.007276
"130974"	311.112576	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+2H"	2.014552
"572721"	466.165226	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+2H"	2.014552
"1038602"	156.059926	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2H"	2.014552
"206866"	207.744142666667	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+3H"	3.021828
"648981"	311.112576	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+3H"	3.021828
"1171483"	104.375709333333	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+3H"	3.021828
"433662"	638.244423	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+NH4"	18.033823
"794656"	948.349723	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+NH4"	18.033823
"1692081"	328.139123	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+NH4"	18.033823
"337079"	319.6258495	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+H+NH4"	19.041099
"732781"	474.6784995	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+H+NH4"	19.041099
"1484414"	164.5731995	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H+NH4"	19.041099
"397625"	643.199818	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+Na"	22.989218
"765181"	953.305118	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+Na"	22.989218
"1609998"	333.094518	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Na"	22.989218
"323317"	322.103547	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+H+Na"	23.996494
"720115"	477.156197	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+H+Na"	23.996494
"1470651"	167.050897	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H+Na"	23.996494
"1066455"	111.703023333333	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2H+Na"	25.00377
"1272581"	343.138786	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+CH3OH+H"	33.033486
"392058"	659.173758	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+K"	38.963158
"754028"	969.279058	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+K"	38.963158
"1555145"	349.068458	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+K"	38.963158
"312035"	330.090517	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+H+K"	39.970434
"706039"	485.143167	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+H+K"	39.970434
"1458276"	175.037867	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H+K"	39.970434
"247972"	662.244426	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+ACN+H"	42.033826
"1217399"	352.139126	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+ACN+H"	42.033826
"1206749"	176.573201	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+ACN+2H"	43.041102
"202900"	665.18176	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+2Na-H"	44.97116
"643878"	975.28706	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+2Na-H"	44.97116
"1144874"	355.07646	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2Na-H"	44.97116
"188518"	333.094518	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+2Na"	45.978436
"618978"	488.147168	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+2Na"	45.978436
"1121391"	178.041868	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2Na"	45.978436
"1406011"	119.030337333333	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H+2Na"	46.985712
"1438130"	357.118046	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H+HCOOH"	47.012746
"226729"	338.12754	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+3H2O+2H"	56.04448
"1523672"	371.17009	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+IsoProp+H"	61.06479
"423239"	341.081488	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+Na+K"	61.952376
"783141"	496.134138	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+Na+K"	61.952376
"1678376"	186.028838	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Na+K"	61.952376
"264534"	684.226368	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+ACN+Na"	64.015768
"1237606"	374.121068	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+ACN+Na"	64.015768
"1719932"	374.144593	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+NH4+HCOOH"	64.039293
"1192817"	126.357651333333	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+3Na"	68.967654
"1663925"	379.099988	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Na+HCOOH"	68.994688
"169693"	697.12964	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+2K-H"	76.91904
"609253"	1007.23494	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+2K-H"	76.91904
"1084765"	387.02434	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2K-H"	76.91904
"156426"	349.068458	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"2M+2K"	77.926316
"596595"	504.121108	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"3M+2K"	77.926316
"1083294"	194.015808	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2K"	77.926316
"1105685"	389.038892	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2K+H"	78.933592
"1339881"	389.126507	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+DMSO+H"	79.021207
"1012785"	393.165676	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2ACN+H"	83.060376
"1537471"	394.159308	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+IsoProp+Na+H"	84.054008
"998452"	197.086476	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+2ACN+2H"	84.067652
"1597329"	395.073928	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+K+HCOOH"	84.968628
"1416428"	425.105438	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+H+CF3COOH"	115.000138
"1147216"	217.599751	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+3ACN+2H"	125.094202
"1698460"	442.131985	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+NH4+CF3COOH"	132.026685
"1634959"	447.08738	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+Na+CF3COOH"	136.98208
"1571416"	463.06132	"C09502"	"Mellitoxin;Hyenanchin"	"C15H18O7"	"310.1053"	"M+K+CF3COOH"	152.95602
"811064"	232.1099	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M"	0
"978035"	213.09151	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-H2O-H"	-19.01839
"67370"	153.732657333333	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M-3H"	-3.021828
"508026"	231.102624	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M-3H"	-3.021828
"894110"	76.3626906666667	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-3H"	-3.021828
"14384"	231.102624	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M-2H"	-2.014552
"455443"	347.157574	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M-2H"	-2.014552
"832472"	115.047674	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-2H"	-2.014552
"91605"	463.212524	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M-H"	-1.007276
"531177"	695.322424	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M-H"	-1.007276
"907519"	231.102624	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-H"	-1.007276
"62014"	480.239071	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M-2H+NH4"	16.019271
"502508"	712.348971	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M-2H+NH4"	16.019271
"879538"	248.129171	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-2H+NH4"	16.019271
"46871"	485.194466	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M-2H+Na"	20.974666
"483795"	717.304366	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M-2H+Na"	20.974666
"861231"	253.084566	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-2H+Na"	20.974666
"1628942"	253.084566	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Na-2H"	20.974666
"102192"	249.090963	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M-H+Cl"	33.962126
"542846"	365.145913	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M-H+Cl"	33.962126
"932351"	133.036013	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-H+Cl"	33.962126
"280388"	499.189202	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+Cl"	34.969402
"665154"	731.299102	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+Cl"	34.969402
"1287404"	267.079302	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Cl"	34.969402
"30771"	501.168406	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M-2H+K"	36.948606
"469890"	733.278306	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M-2H+K"	36.948606
"848098"	269.058506	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-2H+K"	36.948606
"1571062"	269.058506	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+K-2H"	36.948606
"956507"	277.108094	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-H+HCOOH"	44.998194
"376990"	509.218001	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+HCOOH-H"	44.998201
"360195"	523.233651	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+Hac-H"	59.013851
"1508431"	291.123751	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Hac-H"	59.013851
"974138"	299.090051	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-H+NaCOOH"	66.980151
"125511"	267.079302	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+2Cl"	69.938804
"561258"	383.134252	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+2Cl"	69.938804
"1036787"	151.024352	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2Cl"	69.938804
"1252930"	311.028785	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Br"	78.918885
"1316107"	313.084772	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Cl+HCOOH"	80.974872
"1333238"	335.066729	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Cl+NaCOOH"	102.956829
"925021"	345.095486	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M-H+CF3COOH"	112.985586
"1301364"	381.072164	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Cl+CF3COOH"	148.962264
"1378430"	197.097224	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H-2H2O"	-35.012676
"1395202"	215.1072	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H-H2O"	-17.0027
"292700"	465.227076	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+H"	1.007276
"685120"	697.336976	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+H"	1.007276
"1359281"	233.117176	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H"	1.007276
"131084"	233.117176	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+2H"	2.014552
"574654"	349.172126	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+2H"	2.014552
"1047098"	117.062226	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2H"	2.014552
"212812"	155.747209333333	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+3H"	3.021828
"653468"	233.117176	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+3H"	3.021828
"1175239"	78.3772426666667	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+3H"	3.021828
"432679"	482.253623	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+NH4"	18.033823
"799142"	714.363523	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+NH4"	18.033823
"1693651"	250.143723	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+NH4"	18.033823
"341564"	241.6304495	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+H+NH4"	19.041099
"733985"	357.6853995	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+H+NH4"	19.041099
"1492181"	125.5754995	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H+NH4"	19.041099
"405390"	487.209018	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+Na"	22.989218
"764199"	719.318918	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+Na"	22.989218
"1610108"	255.099118	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Na"	22.989218
"324520"	244.108147	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+H+Na"	23.996494
"721319"	360.163097	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+H+Na"	23.996494
"1470034"	128.053197	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H+Na"	23.996494
"1067943"	85.7045566666667	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2H+Na"	25.00377
"1271537"	265.143386	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+CH3OH+H"	33.033486
"392421"	503.182958	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+K"	38.963158
"754192"	735.292858	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+K"	38.963158
"1555382"	271.073058	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+K"	38.963158
"313240"	252.095117	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+H+K"	39.970434
"705666"	368.150067	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+H+K"	39.970434
"1459481"	136.040167	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H+K"	39.970434
"245895"	506.253626	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+ACN+H"	42.033826
"1216417"	274.143726	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+ACN+H"	42.033826
"1205766"	137.575501	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+ACN+2H"	43.041102
"202646"	509.19096	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+2Na-H"	44.97116
"642935"	741.30086	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+2Na-H"	44.97116
"1144984"	277.08106	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2Na-H"	44.97116
"188552"	255.099118	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+2Na"	45.978436
"617994"	371.154068	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+2Na"	45.978436
"1120408"	139.044168	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2Na"	45.978436
"1405028"	93.0318706666667	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H+2Na"	46.985712
"1434961"	279.122646	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H+HCOOH"	47.012746
"225746"	260.13214	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+3H2O+2H"	56.04448
"1523662"	293.17469	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+IsoProp+H"	61.06479
"424219"	263.086088	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+Na+K"	61.952376
"785078"	379.141038	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+Na+K"	61.952376
"1681282"	147.031138	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Na+K"	61.952376
"267083"	528.235568	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+ACN+Na"	64.015768
"1241176"	296.125668	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+ACN+Na"	64.015768
"1728318"	296.149193	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+NH4+HCOOH"	64.039293
"1191956"	100.359184666667	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+3Na"	68.967654
"1665572"	301.104588	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Na+HCOOH"	68.994688
"172722"	541.13884	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+2K-H"	76.91904
"606082"	773.24874	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+2K-H"	76.91904
"1092781"	309.02894	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2K-H"	76.91904
"155937"	271.073058	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"2M+2K"	77.926316
"596216"	387.128008	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"3M+2K"	77.926316
"1082429"	155.018108	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2K"	77.926316
"1115155"	311.043492	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2K+H"	78.933592
"1342179"	311.131107	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+DMSO+H"	79.021207
"1016175"	315.170276	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2ACN+H"	83.060376
"1538554"	316.163908	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+IsoProp+Na+H"	84.054008
"1001842"	158.088776	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+2ACN+2H"	84.067652
"1599627"	317.078528	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+K+HCOOH"	84.968628
"1426381"	347.110038	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+H+CF3COOH"	115.000138
"1147557"	178.602051	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+3ACN+2H"	125.094202
"1698570"	364.136585	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+NH4+CF3COOH"	132.026685
"1634580"	369.09198	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+Na+CF3COOH"	136.98208
"1572418"	385.06592	"C09503"	"Mexicanin E"	"C14H16O3"	"232.1099"	"M+K+CF3COOH"	152.95602
"802426"	262.1205	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M"	0
"977048"	243.10211	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"63832"	173.739724	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"503758"	261.113224	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"894463"	86.366224	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"14375"	261.113224	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"455557"	392.173474	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"828444"	130.052974	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"90620"	523.233724	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"532261"	785.354224	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"907995"	261.113224	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"62611"	540.260271	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"502578"	802.380771	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"879525"	278.139771	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"47093"	545.215666	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"484634"	807.336166	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"862799"	283.095166	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1632332"	283.095166	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"104489"	279.101563	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"542956"	410.161813	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"934285"	148.041313	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"268467"	559.210402	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"661982"	821.330902	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1286058"	297.089902	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"29706"	561.189606	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"470850"	823.310106	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"846342"	299.069106	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1570442"	299.069106	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"957835"	307.118694	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"377010"	569.239201	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"360543"	583.254851	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1508043"	321.134351	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"973516"	329.100651	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"124969"	297.089902	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"559182"	428.150152	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1029077"	166.029652	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1249749"	341.039385	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1318770"	343.095372	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1335485"	365.077329	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"924403"	375.106086	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1299651"	411.082764	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1377447"	227.107824	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1394582"	245.1178	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"294999"	525.248276	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"686324"	787.368776	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1361580"	263.127776	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"133746"	263.127776	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"574400"	394.188026	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1049760"	132.067526	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"218391"	175.754276	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"655400"	263.127776	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1173526"	88.380776	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"432789"	542.274823	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"797064"	804.395323	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1693031"	280.154323	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"343497"	271.6410495	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"734095"	402.7012995	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1490832"	140.5807995	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"404772"	547.230218	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"764309"	809.350718	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1608032"	285.109718	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"322444"	274.118747	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"720700"	405.178997	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1470872"	143.058497	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1066798"	95.70809	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1272176"	295.153986	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"392168"	563.204158	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"753890"	825.324658	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1555085"	301.083658	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"313716"	282.105717	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"706017"	413.165967	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1459591"	151.045467	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"248557"	566.274826	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1215434"	304.154326	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1208428"	152.580801	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"202392"	569.21216	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"642681"	831.33266	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1146313"	307.09166	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"186927"	285.109718	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"618469"	416.169968	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1121611"	154.049468	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1402220"	103.035404	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1433243"	309.133246	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"225856"	290.14274	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1523405"	323.18529	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"424156"	293.096688	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"785430"	424.156938	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1681113"	162.036438	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"266987"	588.256768	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1241218"	326.136268	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1728337"	326.159793	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1193158"	110.362718	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1665574"	331.115188	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"172468"	601.16004	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"609472"	863.28054	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1092892"	339.03954	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"156899"	301.083658	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"596083"	432.143908	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1083964"	170.023408	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1115143"	341.054092	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1342289"	341.141707	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1016285"	345.180876	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1538664"	346.174508	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"1001952"	173.094076	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1597551"	347.089128	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1423211"	377.120638	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1147668"	193.607351	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1698680"	394.147185	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1635054"	399.10258	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1571799"	415.07652	"C09504"	"Mexicanin I"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"802536"	256.1099	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M"	0
"977159"	237.09151	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-H2O-H"	-19.01839
"64672"	169.732657333333	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M-3H"	-3.021828
"504232"	255.102624	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M-3H"	-3.021828
"891519"	84.3626906666667	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-3H"	-3.021828
"13867"	255.102624	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M-2H"	-2.014552
"451842"	383.157574	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M-2H"	-2.014552
"829643"	127.047674	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-2H"	-2.014552
"84165"	511.212524	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M-H"	-1.007276
"532489"	767.322424	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M-H"	-1.007276
"909801"	255.102624	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-H"	-1.007276
"61988"	528.239071	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M-2H+NH4"	16.019271
"502278"	784.348971	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M-2H+NH4"	16.019271
"879108"	272.129171	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-2H+NH4"	16.019271
"45557"	533.194466	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M-2H+Na"	20.974666
"486205"	789.304366	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M-2H+Na"	20.974666
"864007"	277.084566	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-2H+Na"	20.974666
"1632441"	277.084566	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Na-2H"	20.974666
"104595"	273.090963	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M-H+Cl"	33.962126
"543066"	401.145913	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M-H+Cl"	33.962126
"934394"	145.036013	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-H+Cl"	33.962126
"275138"	547.189202	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+Cl"	34.969402
"665373"	803.299102	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+Cl"	34.969402
"1285439"	291.079302	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Cl"	34.969402
"29817"	549.168406	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M-2H+K"	36.948606
"469380"	805.278306	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M-2H+K"	36.948606
"846942"	293.058506	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-2H+K"	36.948606
"1568122"	293.058506	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+K-2H"	36.948606
"956364"	301.108094	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-H+HCOOH"	44.998194
"374221"	557.218001	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+HCOOH-H"	44.998201
"359560"	571.233651	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+Hac-H"	59.013851
"1505835"	315.123751	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Hac-H"	59.013851
"971197"	323.090051	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-H+NaCOOH"	66.980151
"123013"	291.079302	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+2Cl"	69.938804
"558198"	419.134252	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+2Cl"	69.938804
"1029187"	163.024352	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2Cl"	69.938804
"1249859"	335.028785	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Br"	78.918885
"1318515"	337.084772	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Cl+HCOOH"	80.974872
"1334187"	359.066729	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Cl+NaCOOH"	102.956829
"921961"	369.095486	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M-H+CF3COOH"	112.985586
"1299762"	405.072164	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Cl+CF3COOH"	148.962264
"1380109"	221.097224	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H-2H2O"	-35.012676
"1394326"	239.1072	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H-H2O"	-17.0027
"289641"	513.227076	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+H"	1.007276
"680967"	769.336976	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+H"	1.007276
"1360596"	257.117176	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H"	1.007276
"131304"	257.117176	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+2H"	2.014552
"571958"	385.172126	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+2H"	2.014552
"1049870"	129.062226	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2H"	2.014552
"214856"	171.747209333333	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+3H"	3.021828
"651500"	257.117176	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+3H"	3.021828
"1171812"	86.3772426666667	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+3H"	3.021828
"433991"	530.253623	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+NH4"	18.033823
"792800"	786.363523	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+NH4"	18.033823
"1692411"	274.143723	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+NH4"	18.033823
"341784"	265.6304495	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+H+NH4"	19.041099
"732018"	393.6853995	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+H+NH4"	19.041099
"1490214"	137.5754995	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H+NH4"	19.041099
"404153"	535.209018	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+Na"	22.989218
"762232"	791.318918	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+Na"	22.989218
"1610328"	279.099118	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Na"	22.989218
"322553"	268.108147	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+H+Na"	23.996494
"718623"	396.163097	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+H+Na"	23.996494
"1470253"	140.053197	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H+Na"	23.996494
"1066787"	93.7045566666666	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2H+Na"	25.00377
"1272247"	289.143386	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+CH3OH+H"	33.033486
"392684"	551.182958	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+K"	38.963158
"753995"	807.292858	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+K"	38.963158
"1554220"	295.073058	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+K"	38.963158
"312731"	276.095117	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+H+K"	39.970434
"705764"	404.150067	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+H+K"	39.970434
"1460188"	148.040167	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H+K"	39.970434
"248667"	554.253626	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+ACN+H"	42.033826
"1217730"	298.143726	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+ACN+H"	42.033826
"1208174"	149.575501	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+ACN+2H"	43.041102
"203112"	557.19096	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+2Na-H"	44.97116
"642427"	813.30086	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+2Na-H"	44.97116
"1146425"	301.08106	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2Na-H"	44.97116
"185578"	279.099118	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+2Na"	45.978436
"621129"	407.154068	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+2Na"	45.978436
"1124998"	151.044168	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2Na"	45.978436
"1405245"	101.031870666667	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H+2Na"	46.985712
"1434082"	303.122646	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H+HCOOH"	47.012746
"225965"	284.13214	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+3H2O+2H"	56.04448
"1521693"	317.17469	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+IsoProp+H"	61.06479
"423937"	287.086088	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+Na+K"	61.952376
"785641"	415.141038	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+Na+K"	61.952376
"1680897"	159.031138	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Na+K"	61.952376
"266817"	576.235568	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+ACN+Na"	64.015768
"1241326"	320.125668	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+ACN+Na"	64.015768
"1728079"	320.149193	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+NH4+HCOOH"	64.039293
"1192662"	108.359184666667	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+3Na"	68.967654
"1665481"	325.104588	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Na+HCOOH"	68.994688
"172780"	589.13884	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+2K-H"	76.91904
"610676"	845.24874	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+2K-H"	76.91904
"1095187"	333.02894	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2K-H"	76.91904
"155782"	295.073058	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"2M+2K"	77.926316
"589386"	423.128008	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"3M+2K"	77.926316
"1084112"	167.018108	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2K"	77.926316
"1114766"	335.043492	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2K+H"	78.933592
"1342399"	335.131107	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+DMSO+H"	79.021207
"1013115"	339.170276	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2ACN+H"	83.060376
"1537801"	340.163908	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+IsoProp+Na+H"	84.054008
"996595"	170.088776	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+2ACN+2H"	84.067652
"1596567"	341.078528	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+K+HCOOH"	84.968628
"1424414"	371.110038	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+H+CF3COOH"	115.000138
"1147777"	190.602051	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+3ACN+2H"	125.094202
"1699883"	388.136585	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+NH4+CF3COOH"	132.026685
"1635165"	393.09198	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+Na+CF3COOH"	136.98208
"1572275"	409.06592	"C09505"	"Broussin;7-Hydroxy-4-methoxyflavan"	"C16H16O3"	"256.1099"	"M+K+CF3COOH"	152.95602
"810301"	264.1362	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M"	0
"976176"	245.11781	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"65513"	175.083524	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"506528"	263.128924	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"889443"	87.038124	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"14463"	263.128924	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"453656"	395.197024	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"829754"	131.060824	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"87557"	527.265124	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"530414"	791.401324	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"909180"	263.128924	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"59667"	544.291671	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"499960"	808.427871	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"877883"	280.155471	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"44811"	549.247066	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"485946"	813.383266	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"862534"	285.110866	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1629272"	285.110866	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"105800"	281.117263	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"545359"	413.185363	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"931225"	149.049163	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"268688"	563.241802	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"667670"	827.378002	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1284456"	299.105602	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"24823"	565.221006	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"466576"	829.357206	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"845470"	301.084806	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1568230"	301.084806	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"955382"	309.134394	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"372503"	573.270601	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"353469"	587.286251	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1502302"	323.150051	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"970940"	331.116351	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"122032"	299.105602	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"558310"	431.173702	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1027110"	167.037502	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1252158"	343.055085	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1317897"	345.111072	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1334175"	367.093029	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"920978"	377.121786	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1297685"	413.098464	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1378033"	229.123524	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1393343"	247.1335	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"286471"	529.279676	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"682170"	793.415876	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1360709"	265.143476	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"134330"	265.143476	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"574984"	397.211576	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1051439"	133.075376	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"214966"	177.098076	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"654890"	265.143476	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1169735"	89.052676	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"430821"	546.306223	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"795097"	810.442423	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1692520"	282.170023	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"342624"	273.6567495	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"737234"	405.7248495	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1491297"	141.5886495	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"406451"	551.261618	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"766351"	815.397818	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1614449"	287.125418	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"322665"	276.134447	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"719098"	408.202547	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1473280"	144.066347	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1067260"	96.37999	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1271868"	297.169686	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"391895"	567.235558	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"753623"	831.371758	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1554699"	303.099358	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"313450"	284.121417	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"703440"	416.189517	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1457988"	152.053317	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"248777"	570.306226	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1218933"	306.170026	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1202815"	153.588651	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"201155"	573.24356	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"642537"	837.37976	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1146044"	309.10736	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"186417"	287.125418	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"622697"	419.193518	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1121828"	155.057318	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1403169"	103.707304	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1435285"	311.148946	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"227168"	292.15844	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1521441"	325.20099	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"423681"	295.112388	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"785040"	427.180488	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1679913"	163.044288	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"266802"	592.288168	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1240599"	328.151968	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1726205"	328.175493	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1190099"	111.034618	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1664859"	333.130888	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"172323"	605.19144	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"607506"	869.32764	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1094206"	341.05524	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"155893"	303.099358	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"589496"	435.167458	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1083734"	171.031258	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1114877"	343.069792	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1340322"	343.157407	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1016506"	347.196576	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1537911"	348.190208	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"995612"	174.101926	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1596677"	349.104828	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1424524"	379.136338	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1148981"	194.615201	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1699993"	396.162885	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1636004"	401.11828	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1571573"	417.09222	"C09506"	"Michelenolide"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"802391"	248.1412	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M"	0
"974948"	229.12281	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"64164"	164.420190666667	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"505180"	247.133924	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"881525"	81.7064573333333	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"14329"	247.133924	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"454251"	371.204524	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"828771"	123.063324	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"86574"	495.275124	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"532346"	743.416324	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"909408"	247.133924	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"61234"	512.301671	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"500920"	760.442871	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"877504"	264.160471	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"45766"	517.257066	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"486587"	765.398266	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"863128"	269.115866	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1631568"	269.115866	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"107003"	265.122263	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"545469"	389.192863	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"931335"	141.051663	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"267942"	531.251802	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"667780"	779.393002	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1285295"	283.110602	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"28216"	533.231006	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"467779"	781.372206	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"845580"	285.089806	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1569795"	285.089806	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"956220"	293.139394	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"370790"	541.280601	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"353578"	555.296251	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1504597"	307.155051	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"967768"	315.121351	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"121049"	283.110602	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"557326"	407.181202	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1025397"	159.040002	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1251174"	327.060085	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1307063"	329.116072	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1334041"	351.098029	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"918901"	361.126786	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1296703"	397.103464	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1377416"	213.128524	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1392359"	231.1385	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"292049"	497.289676	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"681187"	745.430876	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1360819"	249.148476	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"131524"	249.148476	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"572178"	373.219076	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1047175"	125.077876	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"213252"	166.434742666667	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"654636"	249.148476	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1169845"	83.7210093333333	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"433849"	514.316223	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"797030"	762.457423	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1690443"	266.175023	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"340911"	257.6617495	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"736613"	381.7323495	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1486059"	133.5911495	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"404738"	519.271618	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"765732"	767.412818	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1614922"	271.130418	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"323868"	260.139447	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"717385"	384.210047	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1471202"	136.068847	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1066641"	91.0483233333333	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1272330"	281.174686	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"392657"	535.245558	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"754012"	783.386758	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1553224"	287.104358	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"312586"	268.126417	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"703550"	392.197017	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1455546"	144.055817	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"246335"	538.316226	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1217949"	290.175026	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1204018"	145.591151	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"200534"	541.25356	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"642647"	789.39476	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1145424"	293.11236	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"186891"	271.130418	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"620620"	395.201018	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1121937"	147.059818	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1404372"	98.3756373333333	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1435395"	295.153946	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"225092"	276.16344	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1521186"	309.20599	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"423425"	279.117388	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"785273"	403.187988	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1679658"	155.046788	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"267039"	560.298168	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1238158"	312.156968	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1724128"	312.180493	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1190937"	105.702951333333	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1663017"	317.135888	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"170608"	573.20144	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"607616"	821.34264	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1094316"	325.06024	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"156003"	287.104358	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"589606"	411.174958	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1083484"	163.033758	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1115432"	327.074792	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1341525"	327.162407	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1011148"	331.201576	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1535834"	332.195208	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"995722"	166.104426	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1596787"	333.109828	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1424633"	363.141338	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1149820"	186.617701	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1700103"	380.167885	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1635750"	385.12328	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1572130"	401.09722	"C09507"	"Micheliolide"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"805053"	262.1205	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M"	0
"975666"	243.10211	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"64640"	173.739724	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"506386"	261.113224	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"885282"	86.366224	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"2762"	261.113224	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"442323"	392.173474	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"821218"	130.052974	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"81206"	523.233724	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"522227"	785.354224	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"904043"	261.113224	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"58418"	540.260271	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"499813"	802.380771	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"877978"	278.139771	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"42595"	545.215666	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"481062"	807.336166	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"854487"	283.095166	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1631678"	283.095166	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"106019"	279.101563	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"541206"	410.161813	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"931445"	148.041313	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"272189"	559.210402	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"665703"	821.330902	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1282486"	297.089902	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"27961"	561.189606	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"463509"	823.310106	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"845690"	299.069106	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1569176"	299.069106	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"955965"	307.118694	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"375274"	569.239201	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"355875"	583.254851	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1504709"	321.134351	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"971524"	329.100651	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"122618"	297.089902	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"557436"	428.150152	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1025142"	166.029652	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1252013"	341.039385	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1307539"	343.095372	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1334031"	365.077329	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"917918"	375.106086	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1294625"	411.082764	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1373879"	227.107824	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1392469"	245.1178	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"292157"	525.248276	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"679110"	787.368776	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1363481"	263.127776	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"134914"	263.127776	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"572288"	394.188026	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1047649"	132.067526	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"212269"	175.754276	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"656206"	263.127776	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1172144"	88.380776	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"438334"	542.274823	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"797506"	804.395323	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1693472"	280.154323	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"341022"	271.6410495	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"735631"	402.7012995	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1490545"	140.5807995	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"407766"	547.230218	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"764751"	809.350718	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1612848"	285.109718	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"325071"	274.118747	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"718589"	405.178997	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1473500"	143.058497	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1065657"	95.70809	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1270983"	295.153986	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"392648"	563.204158	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"754079"	825.324658	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1554064"	301.083658	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"311603"	282.105717	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"705484"	413.165967	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1455656"	151.045467	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"246080"	566.274826	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1220247"	304.154326	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1203035"	152.580801	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"196999"	569.21216	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"638744"	831.33266	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1138972"	307.09166	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"182262"	285.109718	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"617451"	416.169968	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1119864"	154.049468	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1404485"	103.035404	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1433319"	309.133246	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"227389"	290.14274	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1522388"	323.18529	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"422075"	293.096688	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"783069"	424.156938	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1680623"	162.036438	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"265924"	588.256768	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1240090"	326.136268	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1724237"	326.159793	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1193933"	110.362718	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1663493"	331.115188	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"170353"	601.16004	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"608819"	863.28054	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1094428"	339.03954	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"155992"	301.083658	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"589716"	432.143908	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1083467"	170.023408	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1115460"	341.054092	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1342729"	341.141707	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1016726"	345.180876	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1535945"	346.174508	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"995832"	173.094076	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1602123"	347.089128	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1424743"	377.120638	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1149930"	193.607351	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1699120"	394.147185	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1635133"	399.10258	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1581357"	415.07652	"C09508"	"Microhelenin A"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"805163"	346.178	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M"	0
"976505"	327.15961	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-H2O-H"	-19.01839
"63370"	229.778057333333	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M-3H"	-3.021828
"503578"	345.170724	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M-3H"	-3.021828
"880283"	114.385390666667	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-3H"	-3.021828
"1412"	345.170724	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M-2H"	-2.014552
"442433"	518.259724	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M-2H"	-2.014552
"817440"	172.081724	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-2H"	-2.014552
"81680"	691.348724	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M-H"	-1.007276
"523066"	1037.526724	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M-H"	-1.007276
"904153"	345.170724	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-H"	-1.007276
"59621"	708.375271	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M-2H+NH4"	16.019271
"493713"	1054.553271	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M-2H+NH4"	16.019271
"869326"	362.197271	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-2H+NH4"	16.019271
"38321"	713.330666	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M-2H+Na"	20.974666
"480071"	1059.508666	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M-2H+Na"	20.974666
"853504"	367.152666	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-2H+Na"	20.974666
"1631788"	367.152666	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Na-2H"	20.974666
"106129"	363.159063	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M-H+Cl"	33.962126
"541316"	536.248063	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M-H+Cl"	33.962126
"931554"	190.070063	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-H+Cl"	33.962126
"270111"	727.325402	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+Cl"	34.969402
"660460"	1073.503402	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+Cl"	34.969402
"1282596"	381.147402	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Cl"	34.969402
"27341"	729.304606	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M-2H+K"	36.948606
"460339"	1075.482606	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M-2H+K"	36.948606
"846893"	383.126606	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-2H+K"	36.948606
"1568193"	383.126606	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+K-2H"	36.948606
"953887"	391.176194	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-H+HCOOH"	44.998194
"373197"	737.354201	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+HCOOH-H"	44.998201
"355985"	751.369851	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+Hac-H"	59.013851
"1505911"	405.191851	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Hac-H"	59.013851
"970175"	413.158151	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-H+NaCOOH"	66.980151
"122363"	381.147402	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+2Cl"	69.938804
"557546"	554.236402	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+2Cl"	69.938804
"1024888"	208.058402	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2Cl"	69.938804
"1248112"	425.096885	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Br"	78.918885
"1310566"	427.152872	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Cl+HCOOH"	80.974872
"1334629"	449.134829	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Cl+NaCOOH"	102.956829
"921310"	459.163586	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M-H+CF3COOH"	112.985586
"1295828"	495.140264	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Cl+CF3COOH"	148.962264
"1377268"	311.165324	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H-2H2O"	-35.012676
"1392579"	329.1753	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H-H2O"	-17.0027
"291903"	693.363276	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+H"	1.007276
"681406"	1039.541276	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+H"	1.007276
"1363591"	347.185276	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H"	1.007276
"134296"	347.185276	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+2H"	2.014552
"572398"	520.274276	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+2H"	2.014552
"1047395"	174.096276	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2H"	2.014552
"212379"	231.792609333333	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+3H"	3.021828
"657412"	347.185276	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+3H"	3.021828
"1173348"	116.399942666667	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+3H"	3.021828
"437715"	710.389823	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+NH4"	18.033823
"796523"	1056.567823	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+NH4"	18.033823
"1692489"	364.211823	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+NH4"	18.033823
"343684"	355.6985495	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+H+NH4"	19.041099
"734649"	528.7875495	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+H+NH4"	19.041099
"1491750"	182.6095495	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H+NH4"	19.041099
"405689"	715.345218	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+Na"	22.989218
"763765"	1061.523218	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+Na"	22.989218
"1612591"	369.167218	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Na"	22.989218
"320806"	358.176247	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+H+Na"	23.996494
"718700"	531.265247	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+H+Na"	23.996494
"1473245"	185.087247	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H+Na"	23.996494
"1063946"	123.727256666667	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2H+Na"	25.00377
"1270729"	379.211486	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+CH3OH+H"	33.033486
"392554"	731.319158	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+K"	38.963158
"754069"	1077.497158	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+K"	38.963158
"1551987"	385.141158	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+K"	38.963158
"311349"	366.163217	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+H+K"	39.970434
"706201"	539.252217	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+H+K"	39.970434
"1453579"	193.074217	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H+K"	39.970434
"248013"	734.389826	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+ACN+H"	42.033826
"1220357"	388.211826	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+ACN+H"	42.033826
"1206428"	194.609551	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+ACN+2H"	43.041102
"199662"	737.32716	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+2Na-H"	44.97116
"634482"	1083.50516	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+2Na-H"	44.97116
"1141999"	391.14916	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2Na-H"	44.97116
"184195"	369.167218	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+2Na"	45.978436
"618653"	542.256218	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+2Na"	45.978436
"1121067"	196.078218	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2Na"	45.978436
"1404592"	131.054570666667	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H+2Na"	46.985712
"1432336"	393.190746	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H+HCOOH"	47.012746
"226406"	374.20024	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+3H2O+2H"	56.04448
"1523226"	407.24279	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+IsoProp+H"	61.06479
"422553"	377.154188	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+Na+K"	61.952376
"783183"	550.243188	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+Na+K"	61.952376
"1676597"	204.065188	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Na+K"	61.952376
"263481"	756.371768	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+ACN+Na"	64.015768
"1236554"	410.193768	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+ACN+Na"	64.015768
"1718513"	410.217293	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+NH4+HCOOH"	64.039293
"1187145"	138.381884666667	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+3Na"	68.967654
"1663602"	415.172688	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Na+HCOOH"	68.994688
"169369"	769.27504	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+2K-H"	76.91904
"604556"	1115.45304	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+2K-H"	76.91904
"1092351"	423.09704	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2K-H"	76.91904
"152453"	385.141158	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"2M+2K"	77.926316
"593106"	558.230158	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"3M+2K"	77.926316
"1080900"	212.052158	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2K"	77.926316
"1113015"	425.111592	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2K+H"	78.933592
"1340649"	425.199207	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+DMSO+H"	79.021207
"1013556"	429.238376	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2ACN+H"	83.060376
"1530588"	430.232008	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+IsoProp+Na+H"	84.054008
"993026"	215.122826	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+2ACN+2H"	84.067652
"1601991"	431.146628	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+K+HCOOH"	84.968628
"1424853"	461.178138	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+H+CF3COOH"	115.000138
"1150770"	235.636101	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+3ACN+2H"	125.094202
"1700323"	478.204685	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+NH4+CF3COOH"	132.026685
"1638158"	483.16008	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+Na+CF3COOH"	136.98208
"1581467"	499.13402	"C09509"	"Microhelenin C"	"C20H26O5"	"346.178"	"M+K+CF3COOH"	152.95602
"802357"	494.2305	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M"	0
"975156"	475.21211	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-H2O-H"	-19.01839
"63520"	328.479724	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M-3H"	-3.021828
"503361"	493.223224	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M-3H"	-3.021828
"880272"	163.736224	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-3H"	-3.021828
"1887"	493.223224	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M-2H"	-2.014552
"443636"	740.338474	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M-2H"	-2.014552
"818883"	246.107974	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-2H"	-2.014552
"84704"	987.453724	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M-H"	-1.007276
"523538"	1481.684224	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M-H"	-1.007276
"901338"	493.223224	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-H"	-1.007276
"50976"	1004.480271	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M-2H+NH4"	16.019271
"491635"	1498.710771	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M-2H+NH4"	16.019271
"868706"	510.249771	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-2H+NH4"	16.019271
"35515"	1009.435666	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M-2H+Na"	20.974666
"476899"	1503.666166	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M-2H+Na"	20.974666
"848671"	515.205166	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-2H+Na"	20.974666
"1629711"	515.205166	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Na-2H"	20.974666
"102959"	511.211563	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M-H+Cl"	33.962126
"540333"	758.326813	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M-H+Cl"	33.962126
"929477"	264.096313	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-H+Cl"	33.962126
"270221"	1023.430402	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+Cl"	34.969402
"661180"	1517.660902	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+Cl"	34.969402
"1277241"	529.199902	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Cl"	34.969402
"24172"	1025.409606	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M-2H+K"	36.948606
"457533"	1519.640106	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M-2H+K"	36.948606
"847003"	531.179106	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-2H+K"	36.948606
"1565023"	531.179106	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+K-2H"	36.948606
"950718"	539.228694	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-H+HCOOH"	44.998194
"371121"	1033.459201	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+HCOOH-H"	44.998201
"355002"	1047.474851	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+Hac-H"	59.013851
"1503834"	553.244351	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Hac-H"	59.013851
"969192"	561.210651	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-H+NaCOOH"	66.980151
"121378"	529.199902	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+2Cl"	69.938804
"557656"	776.315152	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+2Cl"	69.938804
"1022567"	282.084652	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2Cl"	69.938804
"1247129"	573.149385	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Br"	78.918885
"1310674"	575.205372	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Cl+HCOOH"	80.974872
"1334738"	597.187329	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Cl+NaCOOH"	102.956829
"922513"	607.216086	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M-H+CF3COOH"	112.985586
"1295938"	643.192764	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Cl+CF3COOH"	148.962264
"1377378"	459.217824	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H-2H2O"	-35.012676
"1392688"	477.2278	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H-H2O"	-17.0027
"285815"	989.468276	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+H"	1.007276
"680422"	1483.698776	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+H"	1.007276
"1356772"	495.237776	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H"	1.007276
"131854"	495.237776	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+2H"	2.014552
"569228"	742.353026	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+2H"	2.014552
"1046776"	248.122526	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2H"	2.014552
"212489"	330.494276	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+3H"	3.021828
"654968"	495.237776	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+3H"	3.021828
"1172364"	165.750776	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+3H"	3.021828
"436365"	1006.494823	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+NH4"	18.033823
"796266"	1500.725323	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+NH4"	18.033823
"1692963"	512.264323	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+NH4"	18.033823
"341242"	503.7510495	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+H+NH4"	19.041099
"733665"	750.8662995	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+H+NH4"	19.041099
"1491618"	256.6357995	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H+NH4"	19.041099
"402883"	1011.450218	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+Na"	22.989218
"763875"	1505.680718	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+Na"	22.989218
"1611971"	517.219718	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Na"	22.989218
"320916"	506.228747	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+H+Na"	23.996494
"718810"	753.343997	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+H+Na"	23.996494
"1472991"	259.113497	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H+Na"	23.996494
"1064420"	173.07809	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2H+Na"	25.00377
"1270110"	527.263986	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+CH3OH+H"	33.033486
"389417"	1027.424158	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+K"	38.963158
"753206"	1521.654658	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+K"	38.963158
"1553919"	533.193658	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+K"	38.963158
"311459"	514.215717	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+H+K"	39.970434
"705947"	761.330967	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+H+K"	39.970434
"1454418"	267.100467	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H+K"	39.970434
"250554"	1030.494826	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+ACN+H"	42.033826
"1221197"	536.264326	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+ACN+H"	42.033826
"1205444"	268.635801	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+ACN+2H"	43.041102
"199406"	1033.43216	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+2Na-H"	44.97116
"635685"	1527.66266	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+2Na-H"	44.97116
"1143202"	539.20166	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2Na-H"	44.97116
"184304"	517.219718	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+2Na"	45.978436
"620949"	764.334968	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+2Na"	45.978436
"1124454"	270.104468	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2Na"	45.978436
"1402516"	180.405404	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H+2Na"	46.985712
"1432446"	541.243246	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H+HCOOH"	47.012746
"226516"	522.25274	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+3H2O+2H"	56.04448
"1519692"	555.29529	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+IsoProp+H"	61.06479
"421930"	525.206688	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+Na+K"	61.952376
"782561"	772.321938	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+Na+K"	61.952376
"1677071"	278.091438	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Na+K"	61.952376
"263955"	1052.476768	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+ACN+Na"	64.015768
"1237757"	558.246268	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+ACN+Na"	64.015768
"1721903"	558.269793	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+NH4+HCOOH"	64.039293
"1187255"	187.732718	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+3Na"	68.967654
"1658245"	563.225188	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Na+HCOOH"	68.994688
"168386"	1065.38004	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+2K-H"	76.91904
"604666"	1559.61054	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+2K-H"	76.91904
"1092461"	571.14954	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2K-H"	76.91904
"153657"	533.193658	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"2M+2K"	77.926316
"593216"	780.308908	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"3M+2K"	77.926316
"1082104"	286.078408	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2K"	77.926316
"1104377"	573.164092	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2K+H"	78.933592
"1338573"	573.251707	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+DMSO+H"	79.021207
"1013666"	577.290876	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2ACN+H"	83.060376
"1529605"	578.284508	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+IsoProp+Na+H"	84.054008
"990338"	289.149076	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+2ACN+2H"	84.067652
"1602223"	579.199128	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+K+HCOOH"	84.968628
"1422776"	609.230638	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+H+CF3COOH"	115.000138
"1148694"	309.662351	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+3ACN+2H"	125.094202
"1699340"	626.257185	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+NH4+CF3COOH"	132.026685
"1637175"	631.21258	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+Na+CF3COOH"	136.98208
"1581577"	647.18652	"C09510"	"Microlenin"	"C29H34O7"	"494.2305"	"M+K+CF3COOH"	152.95602
"803195"	290.079	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M"	0
"975387"	271.06061	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"64968"	192.378724	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"502986"	289.071724	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"880507"	95.685724	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"2726"	289.071724	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"443746"	434.111224	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"819357"	144.032224	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"85907"	579.150724	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"523648"	869.229724	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"900355"	289.071724	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"52179"	596.177271	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"492838"	886.256271	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"869908"	306.098271	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"36354"	601.132666	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"478102"	891.211666	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"850078"	311.053666	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1624353"	311.053666	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"103069"	307.060063	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"540443"	452.099563	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"931774"	162.020563	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"272519"	615.127402	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"662022"	905.206402	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1276622"	325.048402	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"22095"	617.106606	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"460559"	907.185606	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"843833"	327.027606	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1567320"	327.027606	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"951921"	335.077194	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"371231"	625.156201	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"356205"	639.171851	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1500664"	349.092851	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"967116"	357.059151	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"121488"	325.048402	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"557766"	470.087902	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1022190"	180.008902	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1244687"	368.997885	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1310787"	371.053872	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1332659"	393.035829	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"917154"	403.064586	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1291309"	439.041264	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1373114"	255.066324	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1386603"	273.0763	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"286285"	581.165276	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"679073"	871.244276	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1354695"	291.086276	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H"	1.007276
"126980"	291.086276	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"567514"	436.125776	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1041418"	146.046776	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"206400"	194.393276	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"646813"	291.086276	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1165908"	97.700276	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"432464"	598.191823	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"794553"	888.270823	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1694530"	308.112823	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"342445"	299.5995495	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"735594"	444.6390495	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1490508"	154.5600495	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"402993"	603.147218	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"766171"	893.226218	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1610987"	313.068218	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"322119"	302.077247	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"720863"	447.116747	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1473465"	157.037747	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1066232"	105.02759	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1270220"	323.112486	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"390621"	619.121158	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"752707"	909.200158	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1551842"	329.042158	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+K"	38.963158
"307558"	310.064217	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"705813"	455.103717	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1452706"	165.024717	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"250054"	622.191826	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1216203"	332.112826	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1203367"	166.560051	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"200249"	625.12916	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"640171"	915.20816	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1139302"	335.05016	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"182590"	313.068218	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"619965"	458.107718	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1123471"	168.028718	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1402626"	112.354904	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1433649"	337.091746	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"222253"	318.10124	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1519070"	351.14379	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"422039"	321.055188	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"783034"	466.094688	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1677174"	176.015688	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"262602"	644.173768	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1239685"	354.094768	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1725291"	354.118293	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1191739"	119.682218	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1660538"	359.073688	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"165215"	657.07704	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"602590"	947.15604	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1092571"	366.99804	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"155953"	329.042158	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"593326"	474.081658	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1080027"	184.002658	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1103394"	369.012592	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1339412"	369.100207	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1013776"	373.139376	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1529715"	374.133008	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"991420"	187.073326	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1601967"	375.047628	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1419606"	405.079138	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1148804"	207.586601	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1699450"	422.105685	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1635099"	427.06108	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1581687"	443.03502	"C09511"	"Mikanolide"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"802577"	346.1416	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M"	0
"976106"	327.12321	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"63619"	229.753790666667	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"503910"	345.134324	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"880494"	114.373257333333	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"1863"	345.134324	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"442760"	518.205124	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"822746"	172.063524	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"83831"	691.275924	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"525579"	1037.417524	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"900100"	345.134324	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"54474"	708.302471	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"490032"	1054.444071	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"871839"	362.160871	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"34274"	713.257866	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"475660"	1059.399466	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"850673"	367.116266	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1622276"	367.116266	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"103179"	363.122663	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"538366"	536.193463	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"931884"	190.051863	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"272629"	727.252602	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"661888"	1073.394202	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1283290"	381.111002	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"25119"	729.231806	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"457753"	1075.373406	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"842849"	383.090206	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1565244"	383.090206	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"953125"	391.139794	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"369154"	737.281401	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"351576"	751.297051	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1496034"	405.155451	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"965033"	413.121751	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"116130"	381.111002	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"553499"	554.181802	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1023024"	208.040202	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1245161"	425.060485	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1311261"	427.116472	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1330582"	449.098429	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"917264"	459.127186	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1291055"	495.103864	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1373224"	311.128924	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1387077"	329.1389	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"285303"	693.290476	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"678819"	1039.432076	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1353712"	347.148876	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"127697"	347.148876	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"567256"	520.219676	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1041527"	174.078076	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"207239"	231.768342666667	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"645095"	347.148876	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1167111"	116.387809333333	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"430385"	710.317023	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"795756"	1056.458623	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1692817"	364.175423	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"341461"	355.6621495	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"732786"	528.7329495	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1487700"	182.5913495	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"404192"	715.272418	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"764093"	1061.414018	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1611095"	369.130818	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"320039"	358.139847	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"720121"	531.210647	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1471752"	185.069047	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1068246"	123.715123333333	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1271785"	379.175086	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"390968"	731.246358	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"753182"	1077.387958	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1554139"	385.104758	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"309855"	366.126817	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"707081"	539.197617	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1456096"	193.056017	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"243604"	734.317026	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1219594"	388.175426	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1205664"	194.591351	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"201816"	737.25436	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"640281"	1083.39596	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1139411"	391.11276	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"183793"	369.130818	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"622263"	542.201618	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1122487"	196.060018	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1401639"	131.042437333333	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1434118"	393.154346	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"222723"	374.16384	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1520273"	407.20639	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"421055"	377.117788	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"782049"	550.188588	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1675096"	204.046988	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"258339"	756.298968	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1238338"	410.157368	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1727225"	410.180893	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1193431"	138.369751333333	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1656274"	415.136288	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"163138"	769.20224	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"601607"	1115.34384	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1092681"	423.06064	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"153877"	385.104758	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"590156"	558.175558	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1080137"	212.033958	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1103504"	425.075192	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1338065"	425.162807	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1013886"	429.201976	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1529825"	430.195608	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"991285"	215.104626	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1600621"	431.110228	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1419716"	461.141738	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1148914"	235.617901	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1697030"	478.168285	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1637395"	483.12368	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1581797"	499.09762	"C09512"	"Molephantin"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"803416"	360.1573	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M"	0
"976216"	341.13891	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"64092"	239.097590666667	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"504749"	359.150024	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"882186"	119.045157333333	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"1730"	359.150024	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"440316"	539.228674	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"818120"	179.071374	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"82847"	719.307324	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"523502"	1079.464624	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"901303"	359.150024	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"53491"	736.333871	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"490142"	1096.491171	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"865755"	376.176571	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"34750"	741.289266	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"476134"	1101.446566	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"853941"	381.131966	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1623479"	381.131966	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"104382"	377.138363	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"545037"	557.217013	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"935274"	197.059713	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"269822"	755.284002	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"662363"	1115.441302	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1274401"	395.126702	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"23400"	757.263206	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"458591"	1117.420506	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"840772"	397.105906	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1564261"	397.105906	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"956148"	405.155494	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"372179"	765.312801	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"354238"	779.328451	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1501977"	419.171151	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"965143"	427.137451	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"117333"	395.126702	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"553610"	575.205352	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1025327"	215.048052	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1246364"	439.076185	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1316476"	441.132172	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1331787"	463.114129	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"920656"	473.142886	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1294809"	509.119564	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1371512"	325.144624	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1390103"	343.1546	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"286507"	721.321876	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"681846"	1081.479176	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1357830"	361.164576	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"133276"	361.164576	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"567367"	541.243226	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1039445"	181.085926	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"207347"	241.112142666667	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"645812"	361.164576	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1168314"	121.059709333333	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"432681"	738.348423	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"794771"	1098.505723	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1693291"	378.191123	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"338291"	369.6778495	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"732896"	549.7564995	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1486717"	189.5991995	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"399928"	743.303818	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"759826"	1103.461118	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1606830"	383.146518	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"317961"	372.155547	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"718043"	552.234197	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1466395"	192.076897	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1068390"	128.387023333333	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1267884"	393.190786	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"390833"	759.277758	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"752923"	1119.435058	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1552790"	399.120458	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"309965"	380.142517	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"706358"	560.221167	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1456206"	200.063867	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"243714"	762.348426	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1214238"	402.191126	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1207599"	201.599201	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"198647"	765.28576	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"639299"	1125.44306	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1137334"	405.12846	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"179529"	383.146518	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"617999"	563.225168	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1120410"	203.067868	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1399927"	135.714337333333	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1433864"	407.170046	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"222469"	388.17954	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1521480"	421.22209	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"422623"	391.133488	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"782887"	571.212138	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1675207"	211.054838	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"265009"	784.330368	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1238448"	424.173068	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1728295"	424.196593	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1193866"	143.041651333333	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1660757"	429.151988	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"164340"	797.23364	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"602810"	1157.39094	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1096071"	437.07634	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"155080"	399.120458	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"590266"	579.199108	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1081340"	219.041808	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1103614"	439.090892	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1338539"	439.178507	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1013996"	443.217676	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1529935"	444.211308	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"991762"	222.112476	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1601947"	445.125928	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1425293"	475.157438	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1149024"	242.625751	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1699670"	492.183985	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1637505"	497.13938	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1573159"	513.11332	"C09513"	"Molephantinin"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"810088"	360.1573	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M"	0
"974993"	341.13891	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"62853"	239.097590666667	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"502868"	359.150024	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"880597"	119.045157333333	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"180"	359.150024	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"440915"	539.228674	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"818230"	179.071374	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"79681"	719.307324	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"521428"	1079.464624	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"897042"	359.150024	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"50329"	736.333871	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"488187"	1096.491171	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"869880"	376.176571	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"33038"	741.289266	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"480623"	1101.446566	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"852960"	381.131966	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1622496"	381.131966	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"100118"	377.138363	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"545147"	557.217013	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"935384"	197.059713	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"270661"	755.284002	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"661623"	1115.441302	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1274268"	395.126702	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"23510"	757.263206	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"460159"	1117.420506	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"840882"	397.105906	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1565463"	397.105906	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"955894"	405.155494	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"369372"	765.312801	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"351796"	779.328451	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1496982"	419.171151	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"968534"	427.137451	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"114889"	395.126702	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"552626"	575.205352	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1027624"	215.048052	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1247932"	439.076185	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1315493"	441.132172	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1332990"	463.114129	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"922953"	473.142886	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1300752"	509.119564	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1381102"	325.144624	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1390942"	343.1546	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"288439"	721.321876	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"680862"	1081.479176	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1360129"	361.164576	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"133386"	361.164576	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"567721"	541.243226	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1039560"	181.085926	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"208551"	241.112142666667	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"649206"	361.164576	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1170614"	121.059709333333	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"430604"	738.348423	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"791605"	1098.505723	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1686842"	378.191123	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"338399"	369.6778495	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"733007"	549.7564995	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1483548"	189.5991995	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"397852"	743.303818	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"757751"	1103.461118	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1603173"	383.146518	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"322452"	372.155547	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"714872"	552.234197	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1466505"	192.076897	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1067288"	128.387023333333	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1272622"	393.190786	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"392040"	759.277758	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"752670"	1119.435058	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1552536"	399.120458	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"310078"	380.142517	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"698125"	560.221167	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1449757"	200.063867	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"235717"	762.348426	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1213253"	402.191126	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1200415"	201.599201	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"198753"	765.28576	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"638311"	1125.44306	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1139631"	405.12846	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"179637"	383.146518	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"618110"	563.225168	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1119430"	203.067868	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1400767"	135.714337333333	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1431057"	407.170046	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"222576"	388.17954	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1519400"	421.22209	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"421273"	391.133488	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"781174"	571.212138	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1670946"	211.054838	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"257466"	784.330368	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1235640"	424.173068	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1723434"	424.196593	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1192068"	143.041651333333	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1661960"	429.151988	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"164450"	797.23364	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"598911"	1157.39094	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1096181"	437.07634	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"154832"	399.120458	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"595001"	579.199108	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1081450"	219.041808	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1105910"	439.090892	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1348986"	439.178507	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1017388"	443.217676	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1530045"	444.211308	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"999774"	222.112476	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1595370"	445.125928	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1421030"	475.157438	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1160071"	242.625751	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1699780"	492.183985	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1637615"	497.13938	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1573269"	513.11332	"C09514"	"Multigilin"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"803636"	358.1416	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M"	0
"974983"	339.12321	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"63235"	237.753790666667	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"503510"	357.134324	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"880950"	118.373257333333	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"616"	357.134324	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"443093"	536.205124	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"818098"	178.063524	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"79308"	715.275924	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"521539"	1073.417524	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"897521"	357.134324	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"52627"	732.302471	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"491092"	1090.444071	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"871083"	374.160871	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"38984"	737.257866	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"477455"	1095.399466	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"850884"	379.116266	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1630631"	379.116266	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"107884"	375.122663	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"545257"	554.193463	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"935495"	196.051863	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"274052"	751.252602	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"662464"	1109.394202	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1278150"	393.111002	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"18153"	753.231806	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"456986"	1111.373406	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"848163"	395.090206	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1565574"	395.090206	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"951270"	403.139794	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"370577"	761.281401	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"351906"	775.297051	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1502199"	417.155451	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"967553"	425.121751	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"117553"	393.111002	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"553101"	572.181802	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1027009"	214.040202	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1248773"	437.060485	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1319582"	439.116472	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1335288"	461.098429	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"925250"	471.127186	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1299770"	507.103864	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1376837"	323.128924	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1391056"	341.1389	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"295118"	717.290476	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"680976"	1075.432076	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1358417"	359.148876	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"133497"	359.148876	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"573057"	538.219676	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1045138"	180.078076	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"211943"	239.768342666667	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"649316"	359.148876	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1172910"	120.387809333333	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"430714"	734.317023	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"792808"	1092.458623	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1688044"	376.175423	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"337418"	367.6621495	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"733117"	546.7329495	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1484752"	188.5913495	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"397962"	739.272418	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"756403"	1097.414018	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1603770"	381.130818	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"320375"	370.139847	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"716075"	549.210647	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1467708"	191.069047	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1063145"	127.715123333333	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1272749"	391.175086	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"391786"	755.246358	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"752659"	1113.387958	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1551917"	397.104758	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"313348"	378.126817	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"701515"	557.197617	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1453147"	199.056017	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"242842"	758.317026	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1215550"	400.175426	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1204899"	200.591351	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"196677"	761.25436	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"639515"	1119.39596	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1138647"	403.11276	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"181933"	381.130818	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"618220"	560.201618	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1121723"	202.060018	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1403062"	135.042437333333	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1432990"	405.154346	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"222686"	386.16384	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1521696"	419.20639	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"421019"	389.117788	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"784199"	568.188588	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1674335"	210.046988	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"258669"	780.298968	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1235750"	422.157368	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1720264"	422.180893	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1193271"	142.369751333333	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1662070"	427.136288	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"164560"	793.20224	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"598291"	1151.34384	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1096291"	435.06064	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"155308"	397.104758	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"596567"	576.175558	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1078280"	218.033958	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1108207"	437.075192	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1350430"	437.162807	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1017498"	441.201976	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1530155"	442.195608	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"999884"	221.104626	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1600948"	443.110228	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1420047"	473.141738	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1160181"	241.617901	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1700983"	490.168285	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1638820"	495.12368	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1573379"	511.09762	"C09515"	"Multiradiatin"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"802653"	358.1416	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M"	0
"975080"	339.12321	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"63695"	237.753790666667	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"504101"	357.134324	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"880817"	118.373257333333	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"1457"	357.134324	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"443203"	536.205124	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"818816"	178.063524	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"81362"	715.275924	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"521649"	1073.417524	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"898723"	357.134324	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"50911"	732.302471	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"492657"	1090.444071	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"869009"	374.160871	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"39095"	737.257866	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"473189"	1095.399466	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"848928"	379.116266	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1629280"	379.116266	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"103621"	375.122663	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"544274"	554.193463	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"927296"	196.051863	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"269785"	751.252602	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"660077"	1109.394202	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1280448"	393.111002	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"17657"	753.231806	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"456078"	1111.373406	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"842195"	395.090206	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1562401"	395.090206	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"951380"	403.139794	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"367040"	761.281401	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"349828"	775.297051	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1499028"	417.155451	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"966569"	425.121751	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"117662"	393.111002	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"551388"	572.181802	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1021928"	214.040202	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1241375"	437.060485	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1314620"	439.116472	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1333211"	461.098429	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"923902"	471.127186	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1297691"	507.103864	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1378770"	323.128924	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1393353"	341.1389	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"296321"	717.290476	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"681086"	1075.432076	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1357434"	359.148876	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"133607"	359.148876	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"573167"	538.219676	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1040873"	180.078076	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"206949"	239.768342666667	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"648333"	359.148876	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1166459"	120.387809333333	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"427543"	734.317023	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"792915"	1092.458623	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1687059"	376.175423	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"334243"	367.6621495	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"727756"	546.7329495	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1481574"	188.5913495	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"394792"	739.272418	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"756027"	1097.414018	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1605094"	381.130818	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"320483"	370.139847	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"710717"	549.210647	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1465631"	191.069047	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1062159"	127.715123333333	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1269306"	391.175086	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"384604"	755.246358	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"752526"	1113.387958	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1552756"	397.104758	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"310660"	378.126817	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"701625"	557.197617	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1451070"	199.056017	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"240765"	758.317026	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1217846"	400.175426	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1202822"	200.591351	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"198976"	761.25436	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"641449"	1119.39596	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1144230"	403.11276	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"185699"	381.130818	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"620517"	560.201618	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1125115"	202.060018	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1404266"	135.042437333333	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1438567"	405.154346	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"226076"	386.16384	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1520714"	419.20639	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"420400"	389.117788	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"777017"	568.188588	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1676994"	210.046988	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"260964"	780.298968	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1236225"	422.157368	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1721465"	422.180893	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1186820"	142.369751333333	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1665097"	427.136288	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"170134"	793.20224	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"601311"	1151.34384	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1086192"	435.06064	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"154196"	397.104758	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"590596"	576.175558	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1074014"	218.033958	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1102848"	437.075192	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1339233"	437.162807	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1007763"	441.201976	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1525890"	442.195608	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"993433"	221.104626	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1599965"	443.110228	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1416876"	473.141738	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1152635"	241.617901	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1698906"	490.168285	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1637836"	495.12368	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1573489"	511.09762	"C09516"	"Multistatin"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"803856"	378.1679	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M"	0
"975193"	359.14951	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-H2O-H"	-19.01839
"63805"	251.104657333333	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M-3H"	-3.021828
"503848"	377.160624	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M-3H"	-3.021828
"880804"	125.048690666667	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-3H"	-3.021828
"1322"	377.160624	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M-2H"	-2.014552
"444405"	566.244574	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M-2H"	-2.014552
"818562"	188.076674	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-2H"	-2.014552
"81105"	755.328524	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M-H"	-1.007276
"520665"	1133.496424	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M-H"	-1.007276
"900656"	377.160624	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-H"	-1.007276
"52842"	772.355071	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M-2H+NH4"	16.019271
"493495"	1150.522971	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M-2H+NH4"	16.019271
"869119"	394.187171	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-2H+NH4"	16.019271
"37018"	777.310466	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M-2H+Na"	20.974666
"474393"	1155.478366	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M-2H+Na"	20.974666
"849884"	399.142566	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-2H+Na"	20.974666
"1630483"	399.142566	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Na-2H"	20.974666
"101544"	395.148963	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M-H+Cl"	33.962126
"538916"	584.232913	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M-H+Cl"	33.962126
"927569"	206.065013	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-H+Cl"	33.962126
"269895"	791.305202	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+Cl"	34.969402
"660244"	1169.473102	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+Cl"	34.969402
"1273506"	413.137302	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Cl"	34.969402
"19832"	793.284406	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M-2H+K"	36.948606
"456961"	1171.452306	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M-2H+K"	36.948606
"843398"	415.116506	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-2H+K"	36.948606
"1565790"	415.116506	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+K-2H"	36.948606
"952583"	423.166094	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-H+HCOOH"	44.998194
"367878"	801.334001	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+HCOOH-H"	44.998201
"351760"	815.349651	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+Hac-H"	59.013851
"1500231"	437.181751	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Hac-H"	59.013851
"964856"	445.148051	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-H+NaCOOH"	66.980151
"117772"	413.137302	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+2Cl"	69.938804
"551862"	602.221252	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+2Cl"	69.938804
"1021877"	224.053352	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2Cl"	69.938804
"1241341"	457.086785	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Br"	78.918885
"1315823"	459.142772	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Cl+HCOOH"	80.974872
"1335471"	481.124729	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Cl+NaCOOH"	102.956829
"922190"	491.153486	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M-H+CF3COOH"	112.985586
"1297801"	527.130164	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Cl+CF3COOH"	148.962264
"1378151"	343.155224	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H-2H2O"	-35.012676
"1393463"	361.1652	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H-H2O"	-17.0027
"297040"	757.343076	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+H"	1.007276
"684476"	1135.510976	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+H"	1.007276
"1360824"	379.175176	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H"	1.007276
"136997"	379.175176	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+2H"	2.014552
"574371"	568.259126	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+2H"	2.014552
"1043169"	190.091226	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2H"	2.014552
"209975"	253.119209333333	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+3H"	3.021828
"649536"	379.175176	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+3H"	3.021828
"1166569"	127.063242666667	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+3H"	3.021828
"428746"	774.369623	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+NH4"	18.033823
"791932"	1152.537523	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+NH4"	18.033823
"1686076"	396.201723	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+NH4"	18.033823
"333624"	387.6884495	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+H+NH4"	19.041099
"726773"	576.7723995	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+H+NH4"	19.041099
"1482777"	198.6044995	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H+NH4"	19.041099
"395995"	779.325018	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+Na"	22.989218
"758081"	1157.492918	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+Na"	22.989218
"1604111"	401.157118	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Na"	22.989218
"317312"	390.166147	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+H+Na"	23.996494
"711917"	579.250097	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+H+Na"	23.996494
"1463553"	201.082197	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H+Na"	23.996494
"1060081"	134.390556666667	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2H+Na"	25.00377
"1269052"	411.201386	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+CH3OH+H"	33.033486
"386900"	795.298958	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+K"	38.963158
"751178"	1173.466858	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+K"	38.963158
"1553959"	417.131058	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+K"	38.963158
"312591"	398.153117	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+H+K"	39.970434
"698451"	587.237067	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+H+K"	39.970434
"1453367"	209.069167	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H+K"	39.970434
"239782"	798.369626	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+ACN+H"	42.033826
"1217956"	420.201726	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+ACN+H"	42.033826
"1205118"	210.604501	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+ACN+2H"	43.041102
"197989"	801.30696	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+2Na-H"	44.97116
"638643"	1179.47486	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+2Na-H"	44.97116
"1143245"	423.13906	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2Na-H"	44.97116
"185442"	401.157118	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+2Na"	45.978436
"622811"	590.241068	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+2Na"	45.978436
"1128501"	212.073168	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2Na"	45.978436
"1406557"	141.717870666667	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H+2Na"	46.985712
"1441229"	425.180646	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H+HCOOH"	47.012746
"225093"	406.19014	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+3H2O+2H"	56.04448
"1515352"	439.23269	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+IsoProp+H"	61.06479
"422332"	409.144088	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+Na+K"	61.952376
"779314"	598.228038	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+Na+K"	61.952376
"1674189"	220.060138	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Na+K"	61.952376
"259982"	820.351568	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+ACN+Na"	64.015768
"1234878"	442.183668	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+ACN+Na"	64.015768
"1720482"	442.207193	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+NH4+HCOOH"	64.039293
"1192398"	149.045184666667	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+3Na"	68.967654
"1664842"	447.162588	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Na+HCOOH"	68.994688
"169880"	833.25484	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+2K-H"	76.91904
"607619"	1211.42274	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+2K-H"	76.91904
"1089578"	455.08694	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2K-H"	76.91904
"155038"	417.131058	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"2M+2K"	77.926316
"595930"	606.215008	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"3M+2K"	77.926316
"1076310"	228.047108	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2K"	77.926316
"1105144"	457.101492	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2K+H"	78.933592
"1337156"	457.189107	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+DMSO+H"	79.021207
"1008966"	461.228276	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2ACN+H"	83.060376
"1525024"	462.221908	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+IsoProp+Na+H"	84.054008
"995729"	231.117776	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+2ACN+2H"	84.067652
"1602019"	463.136528	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+K+HCOOH"	84.968628
"1416986"	493.168038	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+H+CF3COOH"	115.000138
"1154931"	251.631051	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+3ACN+2H"	125.094202
"1703389"	510.194585	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+NH4+CF3COOH"	132.026685
"1635759"	515.14998	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+Na+CF3COOH"	136.98208
"1573599"	531.12392	"C09517"	"Niveusin C"	"C20H26O7"	"378.1679"	"M+K+CF3COOH"	152.95602
"806153"	346.178	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M"	0
"974469"	327.15961	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-H2O-H"	-19.01839
"65739"	229.778057333333	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M-3H"	-3.021828
"504202"	345.170724	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M-3H"	-3.021828
"880187"	114.385390666667	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-3H"	-3.021828
"2771"	345.170724	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M-2H"	-2.014552
"444515"	518.259724	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M-2H"	-2.014552
"821225"	172.081724	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-2H"	-2.014552
"84495"	691.348724	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M-H"	-1.007276
"522962"	1037.526724	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M-H"	-1.007276
"901859"	345.170724	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-H"	-1.007276
"52953"	708.375271	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M-2H+NH4"	16.019271
"495793"	1054.553271	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M-2H+NH4"	16.019271
"870322"	362.197271	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-2H+NH4"	16.019271
"33849"	713.330666	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M-2H+Na"	20.974666
"473410"	1059.508666	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M-2H+Na"	20.974666
"849269"	367.152666	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-2H+Na"	20.974666
"1629500"	367.152666	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Na-2H"	20.974666
"98374"	363.159063	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M-H+Cl"	33.962126
"539026"	536.248063	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M-H+Cl"	33.962126
"927435"	190.070063	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-H+Cl"	33.962126
"267688"	727.325402	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+Cl"	34.969402
"660266"	1073.503402	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+Cl"	34.969402
"1273362"	381.147402	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Cl"	34.969402
"24317"	729.304606	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M-2H+K"	36.948606
"457193"	1075.482606	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M-2H+K"	36.948606
"843508"	383.126606	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-2H+K"	36.948606
"1565900"	383.126606	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+K-2H"	36.948606
"955245"	391.176194	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-H+HCOOH"	44.998194
"367625"	737.354201	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+HCOOH-H"	44.998201
"351872"	751.369851	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+Hac-H"	59.013851
"1500342"	405.191851	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Hac-H"	59.013851
"964237"	413.158151	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-H+NaCOOH"	66.980151
"117518"	381.147402	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+2Cl"	69.938804
"551972"	554.236402	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+2Cl"	69.938804
"1022230"	208.058402	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2Cl"	69.938804
"1241603"	425.096885	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Br"	78.918885
"1313739"	427.152872	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Cl+HCOOH"	80.974872
"1327960"	449.134829	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Cl+NaCOOH"	102.956829
"916828"	459.163586	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M-H+CF3COOH"	112.985586
"1294631"	495.140264	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Cl+CF3COOH"	148.962264
"1371697"	311.165324	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H-2H2O"	-35.012676
"1390289"	329.1753	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H-H2O"	-17.0027
"287788"	693.363276	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+H"	1.007276
"679114"	1039.541276	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+H"	1.007276
"1357650"	347.185276	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H"	1.007276
"130544"	347.185276	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+2H"	2.014552
"572292"	520.274276	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+2H"	2.014552
"1045466"	174.096276	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2H"	2.014552
"206075"	231.792609333333	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+3H"	3.021828
"644292"	347.185276	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+3H"	3.021828
"1163188"	116.399942666667	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+3H"	3.021828
"424473"	710.389823	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+NH4"	18.033823
"785793"	1056.567823	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+NH4"	18.033823
"1681804"	364.211823	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+NH4"	18.033823
"330367"	355.6985495	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+H+NH4"	19.041099
"726880"	528.7875495	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+H+NH4"	19.041099
"1478267"	182.6095495	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H+NH4"	19.041099
"393547"	715.345218	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+Na"	22.989218
"755269"	1061.523218	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+Na"	22.989218
"1604099"	369.167218	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Na"	22.989218
"316324"	358.176247	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+H+Na"	23.996494
"708746"	531.265247	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+H+Na"	23.996494
"1462926"	185.087247	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H+Na"	23.996494
"1053988"	123.727256666667	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2H+Na"	25.00377
"1267340"	379.211486	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+CH3OH+H"	33.033486
"387737"	731.319158	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+K"	38.963158
"745816"	1077.497158	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+K"	38.963158
"1547869"	385.141158	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+K"	38.963158
"305047"	366.163217	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+H+K"	39.970434
"704031"	539.252217	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+H+K"	39.970434
"1455664"	193.074217	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H+K"	39.970434
"240984"	734.389826	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+ACN+H"	42.033826
"1214785"	388.211826	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+ACN+H"	42.033826
"1201950"	194.609551	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+ACN+2H"	43.041102
"195912"	737.32716	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+2Na-H"	44.97116
"635472"	1083.50516	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+2Na-H"	44.97116
"1140803"	391.14916	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2Na-H"	44.97116
"182270"	369.167218	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+2Na"	45.978436
"621826"	542.256218	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+2Na"	45.978436
"1122051"	196.078218	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2Na"	45.978436
"1403390"	131.054570666667	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H+2Na"	46.985712
"1437693"	393.190746	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H+HCOOH"	47.012746
"222646"	374.20024	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+3H2O+2H"	56.04448
"1514369"	407.24279	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+IsoProp+H"	61.06479
"420983"	377.154188	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+Na+K"	61.952376
"777237"	550.243188	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+Na+K"	61.952376
"1675756"	204.065188	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Na+K"	61.952376
"258997"	756.371768	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+ACN+Na"	64.015768
"1238268"	410.193768	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+ACN+Na"	64.015768
"1719498"	410.217293	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+NH4+HCOOH"	64.039293
"1192508"	138.381884666667	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+3Na"	68.967654
"1661672"	415.172688	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Na+HCOOH"	68.994688
"168167"	769.27504	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+2K-H"	76.91904
"603352"	1115.45304	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+2K-H"	76.91904
"1092238"	423.09704	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2K-H"	76.91904
"156358"	385.141158	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"2M+2K"	77.926316
"595189"	558.230158	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"3M+2K"	77.926316
"1076420"	212.052158	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2K"	77.926316
"1104160"	425.111592	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2K+H"	78.933592
"1337262"	425.199207	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+DMSO+H"	79.021207
"1006523"	429.238376	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2ACN+H"	83.060376
"1526109"	430.232008	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+IsoProp+Na+H"	84.054008
"995839"	215.122826	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+2ACN+2H"	84.067652
"1601278"	431.146628	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+K+HCOOH"	84.968628
"1418189"	461.178138	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+H+CF3COOH"	115.000138
"1155041"	235.636101	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+3ACN+2H"	125.094202
"1706779"	478.204685	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+NH4+CF3COOH"	132.026685
"1638055"	483.16008	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+Na+CF3COOH"	136.98208
"1573709"	499.13402	"C09518"	"Nobilin"	"C20H26O5"	"346.178"	"M+K+CF3COOH"	152.95602
"802983"	220.1463	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M"	0
"974440"	201.12791	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-H2O-H"	-19.01839
"66942"	145.756924	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M-3H"	-3.021828
"503583"	219.139024	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M-3H"	-3.021828
"880020"	72.374824	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-3H"	-3.021828
"2881"	219.139024	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M-2H"	-2.014552
"444625"	329.212174	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M-2H"	-2.014552
"819147"	109.065874	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-2H"	-2.014552
"83512"	439.285324	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M-H"	-1.007276
"523072"	659.431624	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M-H"	-1.007276
"899781"	219.139024	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-H"	-1.007276
"53063"	456.311871	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M-2H+NH4"	16.019271
"492624"	676.458171	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M-2H+NH4"	16.019271
"866055"	236.165571	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-2H+NH4"	16.019271
"33959"	461.267266	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M-2H+Na"	20.974666
"472543"	681.413566	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M-2H+Na"	20.974666
"849495"	241.120966	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-2H+Na"	20.974666
"1631796"	241.120966	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Na-2H"	20.974666
"98484"	237.127363	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M-H+Cl"	33.962126
"539136"	347.200513	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M-H+Cl"	33.962126
"927146"	127.054213	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-H+Cl"	33.962126
"267926"	475.262002	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+Cl"	34.969402
"661805"	695.408302	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+Cl"	34.969402
"1277124"	255.115702	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Cl"	34.969402
"25156"	477.241206	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M-2H+K"	36.948606
"457303"	697.387506	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M-2H+K"	36.948606
"838145"	257.094906	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-2H+K"	36.948606
"1568196"	257.094906	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+K-2H"	36.948606
"955355"	265.144494	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-H+HCOOH"	44.998194
"368828"	485.290801	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+HCOOH-H"	44.998201
"352711"	499.306451	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+Hac-H"	59.013851
"1500451"	279.160151	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Hac-H"	59.013851
"963619"	287.126451	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-H+NaCOOH"	66.980151
"119085"	255.115702	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+2Cl"	69.938804
"551718"	365.188852	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+2Cl"	69.938804
"1022097"	145.042552	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2Cl"	69.938804
"1242032"	299.065185	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Br"	78.918885
"1313849"	301.121172	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Cl+HCOOH"	80.974872
"1326977"	323.103129	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Cl+NaCOOH"	102.956829
"918031"	333.131886	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M-H+CF3COOH"	112.985586
"1294741"	369.108564	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Cl+CF3COOH"	148.962264
"1369985"	185.133624	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H-2H2O"	-35.012676
"1388212"	203.1436	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H-H2O"	-17.0027
"286075"	441.299876	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+H"	1.007276
"678130"	661.446176	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+H"	1.007276
"1353748"	221.153576	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H"	1.007276
"130654"	221.153576	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+2H"	2.014552
"572402"	331.226726	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+2H"	2.014552
"1043389"	111.080426	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2H"	2.014552
"205821"	147.771476	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+3H"	3.021828
"644293"	221.153576	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+3H"	3.021828
"1162929"	74.389376	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+3H"	3.021828
"424709"	458.326423	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+NH4"	18.033823
"788860"	678.472723	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+NH4"	18.033823
"1682035"	238.180123	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+NH4"	18.033823
"330185"	229.6668495	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+H+NH4"	19.041099
"726990"	339.7399995	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+H+NH4"	19.041099
"1478622"	119.5936995	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H+NH4"	19.041099
"393293"	463.281818	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+Na"	22.989218
"756109"	683.428118	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+Na"	22.989218
"1603237"	243.135518	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Na"	22.989218
"315096"	232.144547	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+H+Na"	23.996494
"708856"	342.217697	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+H+Na"	23.996494
"1461574"	122.071397	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H+Na"	23.996494
"1053977"	81.71669	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2H+Na"	25.00377
"1265263"	253.179786	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+CH3OH+H"	33.033486
"386753"	479.255758	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+K"	38.963158
"744833"	699.402058	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+K"	38.963158
"1547979"	259.109458	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+K"	38.963158
"308438"	240.131517	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+H+K"	39.970434
"700859"	350.204667	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+H+K"	39.970434
"1456866"	130.058367	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H+K"	39.970434
"242188"	482.326426	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+ACN+H"	42.033826
"1214898"	262.180126	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+ACN+H"	42.033826
"1202059"	131.593701	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+ACN+2H"	43.041102
"196022"	485.26376	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+2Na-H"	44.97116
"634490"	705.41006	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+2Na-H"	44.97116
"1136903"	265.11746	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2Na-H"	44.97116
"181287"	243.135518	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+2Na"	45.978436
"623029"	353.208668	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+2Na"	45.978436
"1124349"	133.062368	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2Na"	45.978436
"1404594"	89.044004	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H+2Na"	46.985712
"1437803"	267.159046	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H+HCOOH"	47.012746
"222035"	248.16854	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+3H2O+2H"	56.04448
"1515572"	281.21109	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+IsoProp+H"	61.06479
"418540"	251.122488	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+Na+K"	61.952376
"776254"	361.195638	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+Na+K"	61.952376
"1672588"	141.049338	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Na+K"	61.952376
"259107"	504.308368	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+ACN+Na"	64.015768
"1232909"	284.162068	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+ACN+Na"	64.015768
"1718517"	284.185593	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+NH4+HCOOH"	64.039293
"1188244"	96.371318	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+3Na"	68.967654
"1662509"	289.140988	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Na+HCOOH"	68.994688
"167184"	517.21164	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+2K-H"	76.91904
"605649"	737.35794	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+2K-H"	76.91904
"1087250"	297.06534	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2K-H"	76.91904
"155375"	259.109458	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"2M+2K"	77.926316
"593112"	369.182608	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"3M+2K"	77.926316
"1071426"	149.036308	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2K"	77.926316
"1102444"	299.079892	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2K+H"	78.933592
"1336523"	299.167507	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+DMSO+H"	79.021207
"1007359"	303.206676	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2ACN+H"	83.060376
"1526578"	304.200308	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+IsoProp+Na+H"	84.054008
"990479"	152.106976	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+2ACN+2H"	84.067652
"1588629"	305.114928	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+K+HCOOH"	84.968628
"1414529"	335.146438	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+H+CF3COOH"	115.000138
"1150776"	172.620251	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+3ACN+2H"	125.094202
"1706889"	352.172985	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+NH4+CF3COOH"	132.026685
"1635979"	357.12838	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+Na+CF3COOH"	136.98208
"1573819"	373.10232	"C09519"	"Oblongolide"	"C14H20O2"	"220.1463"	"M+K+CF3COOH"	152.95602
"803093"	348.1573	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M"	0
"974632"	329.13891	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"63771"	231.097590666667	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"503693"	347.150024	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"880280"	115.045157333333	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"1169"	347.150024	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"441820"	521.228674	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"819257"	173.071374	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"80342"	695.307324	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"520995"	1043.464624	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"897703"	347.150024	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"49528"	712.333871	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"489090"	1060.491171	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"865195"	364.176571	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"34070"	717.289266	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"471637"	1065.446566	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"848788"	369.131966	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1625345"	369.131966	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"98594"	365.138363	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"534291"	539.217013	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"927200"	191.059713	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"269129"	731.284002	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"660209"	1079.441302	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1273261"	383.126702	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"17976"	733.263206	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"455712"	1081.420506	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"834608"	385.105906	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1563932"	385.105906	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"955829"	393.155494	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"368938"	741.312801	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"352821"	755.328451	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1502748"	407.171151	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"967009"	415.137451	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"119195"	383.126702	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"551100"	557.205352	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1021837"	209.048052	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1241370"	427.076185	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1312866"	429.132172	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1328180"	451.114129	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"917048"	461.142886	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1294851"	497.119564	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1371188"	313.144624	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1387229"	331.1546	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"285456"	697.321876	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"678240"	1045.479176	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1353129"	349.164576	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"127484"	349.164576	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"572512"	523.243226	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1044592"	175.085926	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"205931"	233.112142666667	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"644552"	349.164576	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1163490"	117.059709333333	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"425791"	714.348423	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"788970"	1062.505723	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1682388"	366.191123	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"333216"	357.6778495	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"726007"	531.7564995	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1480189"	183.5991995	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"394860"	719.303818	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"757313"	1067.461118	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1604682"	371.146518	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"316541"	360.155547	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"710059"	534.234197	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1462417"	186.076897	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1054451"	124.387023333333	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1265372"	381.190786	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"383947"	735.277758	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"744940"	1083.435058	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1543714"	387.120458	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"301987"	368.142517	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"693679"	542.221167	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1456976"	194.063867	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"242299"	738.348426	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1212092"	390.191126	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1195975"	195.599201	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"195040"	741.28576	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"637879"	1089.44306	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1138106"	393.12846	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"180304"	371.146518	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"624233"	545.225168	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1121179"	197.067868	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1402517"	131.714337333333	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1437913"	395.170046	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"227608"	376.17954	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1510214"	409.22209	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"409169"	379.133488	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"770896"	553.212138	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1672697"	205.054838	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"259217"	760.330368	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1233019"	412.173068	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1719719"	412.196593	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1187261"	139.041651333333	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1660432"	417.151988	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"164014"	773.23364	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"605759"	1121.39094	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1090271"	425.07634	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"154634"	387.120458	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"592129"	561.199108	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1070079"	213.041808	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1100488"	427.090892	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1336753"	427.178507	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1007105"	431.217676	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1525228"	432.211308	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"990304"	216.112476	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1587761"	433.125928	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1414391"	463.157438	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1150886"	236.625751	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1706999"	480.183985	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1635724"	485.13938	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1573929"	501.11332	"C09520"	"Onopordopicrin"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"806483"	366.1679	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M"	0
"976732"	347.14951	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-H2O-H"	-19.01839
"69349"	243.104657333333	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M-3H"	-3.021828
"506720"	365.160624	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M-3H"	-3.021828
"882336"	121.048690666667	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-3H"	-3.021828
"1643"	365.160624	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M-2H"	-2.014552
"443752"	548.244574	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M-2H"	-2.014552
"821554"	182.076674	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-2H"	-2.014552
"81544"	731.328524	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M-H"	-1.007276
"521106"	1097.496424	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M-H"	-1.007276
"900001"	365.160624	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-H"	-1.007276
"49272"	748.355071	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M-2H+NH4"	16.019271
"488106"	1114.522971	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M-2H+NH4"	16.019271
"865427"	382.187171	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-2H+NH4"	16.019271
"38554"	753.310466	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M-2H+Na"	20.974666
"480300"	1119.478366	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M-2H+Na"	20.974666
"848987"	387.142566	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-2H+Na"	20.974666
"1625455"	387.142566	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Na-2H"	20.974666
"98703"	383.148963	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M-H+Cl"	33.962126
"534325"	566.232913	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M-H+Cl"	33.962126
"927525"	200.065013	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-H+Cl"	33.962126
"270335"	767.305202	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+Cl"	34.969402
"661418"	1133.473102	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+Cl"	34.969402
"1277347"	401.137302	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Cl"	34.969402
"16625"	769.284406	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M-2H+K"	36.948606
"455943"	1135.452306	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M-2H+K"	36.948606
"834355"	403.116506	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-2H+K"	36.948606
"1564042"	403.116506	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+K-2H"	36.948606
"945727"	411.166094	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-H+HCOOH"	44.998194
"367955"	777.334001	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+HCOOH-H"	44.998201
"352931"	791.349651	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+Hac-H"	59.013851
"1495928"	425.181751	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Hac-H"	59.013851
"967119"	433.148051	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-H+NaCOOH"	66.980151
"116389"	401.137302	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+2Cl"	69.938804
"554490"	584.221252	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+2Cl"	69.938804
"1021584"	218.053352	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2Cl"	69.938804
"1241766"	445.086785	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Br"	78.918885
"1310792"	447.142772	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Cl+HCOOH"	80.974872
"1328290"	469.124729	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Cl+NaCOOH"	102.956829
"916065"	479.153486	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M-H+CF3COOH"	112.985586
"1296054"	515.130164	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Cl+CF3COOH"	148.962264
"1369841"	331.155224	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H-2H2O"	-35.012676
"1383037"	349.1652	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H-H2O"	-17.0027
"284838"	733.343076	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+H"	1.007276
"675916"	1099.510976	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+H"	1.007276
"1352632"	367.175176	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H"	1.007276
"128687"	367.175176	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+2H"	2.014552
"571528"	550.259126	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+2H"	2.014552
"1045795"	184.091226	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2H"	2.014552
"205431"	245.119209333333	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+3H"	3.021828
"644866"	367.175176	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+3H"	3.021828
"1163965"	123.063242666667	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+3H"	3.021828
"425657"	750.369623	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+NH4"	18.033823
"787622"	1116.537523	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+NH4"	18.033823
"1683954"	384.201723	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+NH4"	18.033823
"332597"	375.6884495	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+H+NH4"	19.041099
"723931"	558.7723995	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+H+NH4"	19.041099
"1479935"	192.6044995	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H+NH4"	19.041099
"394243"	755.325018	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+Na"	22.989218
"756330"	1121.492918	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+Na"	22.989218
"1603941"	389.157118	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Na"	22.989218
"315195"	378.166147	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+H+Na"	23.996494
"709075"	561.250097	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+H+Na"	23.996494
"1462166"	195.082197	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H+Na"	23.996494
"1055416"	130.390556666667	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2H+Na"	25.00377
"1265482"	399.201386	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+CH3OH+H"	33.033486
"384057"	771.298958	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+K"	38.963158
"742134"	1137.466858	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+K"	38.963158
"1542000"	405.131058	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+K"	38.963158
"307564"	386.153117	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+H+K"	39.970434
"698891"	569.237067	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+H+K"	39.970434
"1455992"	203.069167	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H+K"	39.970434
"246781"	774.369626	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+ACN+H"	42.033826
"1216210"	408.201726	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+ACN+H"	42.033826
"1197909"	204.604501	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+ACN+2H"	43.041102
"191872"	777.30696	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+2Na-H"	44.97116
"633618"	1143.47486	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+2Na-H"	44.97116
"1137123"	411.13906	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2Na-H"	44.97116
"181506"	389.157118	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+2Na"	45.978436
"614504"	572.241068	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+2Na"	45.978436
"1117039"	206.073168	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2Na"	45.978436
"1402627"	137.717870666667	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H+2Na"	46.985712
"1432556"	413.180646	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H+HCOOH"	47.012746
"221524"	394.19014	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+3H2O+2H"	56.04448
"1512507"	427.23269	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+IsoProp+H"	61.06479
"414384"	397.144088	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+Na+K"	61.952376
"775378"	580.228038	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+Na+K"	61.952376
"1671714"	214.060138	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Na+K"	61.952376
"259327"	796.351568	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+ACN+Na"	64.015768
"1230942"	430.183668	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+ACN+Na"	64.015768
"1719829"	430.207193	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+NH4+HCOOH"	64.039293
"1187371"	145.045184666667	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+3Na"	68.967654
"1657262"	435.162588	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Na+HCOOH"	68.994688
"168498"	809.25484	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+2K-H"	76.91904
"609151"	1175.42274	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+2K-H"	76.91904
"1093664"	443.08694	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2K-H"	76.91904
"152678"	405.131058	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"2M+2K"	77.926316
"594425"	588.215008	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"3M+2K"	77.926316
"1072376"	222.047108	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2K"	77.926316
"1101573"	445.101492	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2K+H"	78.933592
"1336257"	445.189107	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+DMSO+H"	79.021207
"1006244"	449.228276	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2ACN+H"	83.060376
"1525344"	450.221908	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+IsoProp+Na+H"	84.054008
"991789"	225.117776	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+2ACN+2H"	84.067652
"1588843"	451.136528	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+K+HCOOH"	84.968628
"1414382"	481.168038	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+H+CF3COOH"	115.000138
"1156464"	245.631051	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+3ACN+2H"	125.094202
"1709297"	498.194585	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+NH4+CF3COOH"	132.026685
"1643854"	503.14998	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+Na+CF3COOH"	136.98208
"1574039"	519.12392	"C09521"	"Orizabin"	"C19H26O7"	"366.1679"	"M+K+CF3COOH"	152.95602
"803313"	306.1467	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M"	0
"975750"	287.12831	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"66176"	203.090524	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"504642"	305.139424	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"882446"	101.041624	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"3212"	305.139424	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"443862"	458.212774	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"820570"	152.066074	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"80196"	611.286124	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"522309"	917.432824	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"901204"	305.139424	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"49143"	628.312671	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"488946"	934.459371	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"865537"	322.165971	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"39757"	633.268066	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"479318"	939.414766	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"849016"	327.121366	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1622285"	327.121366	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"94919"	323.127763	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"535209"	476.201113	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"928607"	170.054413	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"271538"	647.262802	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"661773"	953.409502	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1277457"	341.116102	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"16370"	649.242006	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"456364"	955.388706	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"834829"	343.095306	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1563060"	343.095306	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"946202"	351.144894	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"366972"	657.291601	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"347938"	671.307251	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1493971"	365.160551	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"965041"	373.126851	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"112488"	341.116102	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"557152"	494.189452	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1021572"	188.042752	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1242034"	385.065585	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1315277"	387.121572	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1324024"	409.103529	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"916175"	419.132286	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1289964"	455.108964	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1369950"	271.134024	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1382822"	289.144	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"285310"	613.300676	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"675701"	919.447376	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1352621"	307.153976	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"129890"	307.153976	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"570545"	460.227326	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1044812"	154.080626	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"204811"	205.105076	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"644979"	307.153976	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1165290"	103.056176	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"427468"	630.327223	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"788098"	936.473923	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1685523"	324.180523	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"331249"	315.6672495	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"723676"	468.7405995	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1478588"	162.5938995	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"395448"	635.282618	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"758630"	941.429318	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1603928"	329.135918	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"315670"	318.144947	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"709185"	471.218297	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1462760"	165.071597	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1056255"	110.38349	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1265592"	339.180186	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"383073"	651.256558	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"741880"	957.403258	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1541746"	345.109858	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"307674"	326.131917	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"701188"	479.205267	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1456102"	173.058567	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"246890"	654.327226	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1214133"	348.180526	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1200203"	174.593901	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"195261"	657.26456	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"633728"	963.41126	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1138326"	351.11786	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"180523"	329.135918	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"615341"	482.209268	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1117149"	176.062568	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1402737"	117.710804	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1433759"	353.159446	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"222727"	334.16894	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1512616"	367.21149	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"410119"	337.122888	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"774395"	490.196238	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1669637"	184.049538	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"258344"	676.309168	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1229959"	370.162468	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1718846"	370.185993	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1186387"	125.038118	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1657372"	375.141388	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"166421"	689.21244	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"609261"	995.35914	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1091587"	383.06574	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"151694"	345.109858	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"593442"	498.183208	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1069448"	192.036508	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1100954"	385.080292	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1336854"	385.167907	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1005731"	389.207076	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1525939"	390.200708	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"991899"	195.107176	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1587861"	391.115328	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1414218"	421.146838	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1156574"	215.620451	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1712324"	438.173385	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1643964"	443.12878	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1575242"	459.10272	"C09522"	"Ovatifolin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"803423"	262.1205	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M"	0
"978044"	243.10211	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"69566"	173.739724	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"505846"	261.113224	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"884743"	86.366224	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"1610"	261.113224	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"440562"	392.173474	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"818493"	130.052974	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"80184"	523.233724	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"523513"	785.354224	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"899128"	261.113224	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"53505"	540.260271	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"493065"	802.380771	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"870873"	278.139771	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"44972"	545.215666	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"482708"	807.336166	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"848845"	283.095166	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1619599"	283.095166	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"95640"	279.101563	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"535685"	410.161813	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"929810"	148.041313	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"270555"	559.210402	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"664069"	821.330902	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1277567"	297.089902	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"17327"	561.189606	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"456767"	823.310106	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"835667"	299.069106	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1563170"	299.069106	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"946676"	307.118694	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"367082"	569.239201	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"350964"	583.254851	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1495056"	321.134351	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"964059"	329.100651	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"112964"	297.089902	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"556898"	428.150152	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1022532"	166.029652	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1241462"	341.039385	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1314294"	343.095372	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1324134"	365.077329	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"915192"	375.106086	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1289021"	411.082764	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1370060"	227.107824	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1383907"	245.1178	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"284691"	525.248276	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"677476"	787.368776	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1354554"	263.127776	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"128907"	263.127776	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"571748"	394.188026	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1046015"	132.067526	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"207354"	175.754276	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"645820"	263.127776	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1165764"	88.380776	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"426848"	542.274823	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"788936"	804.395323	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1683810"	280.154323	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"333907"	271.6410495	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"725245"	402.7012995	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1478699"	140.5807995	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"397745"	547.230218	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"757646"	809.350718	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1603431"	285.109718	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"315781"	274.118747	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"709294"	405.178997	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1462629"	143.058497	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1057457"	95.70809	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1262422"	295.153986	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"382090"	563.204158	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"742353"	825.324658	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1544405"	301.083658	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"308877"	282.105717	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"701298"	413.165967	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1455117"	151.045467	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"247000"	566.274826	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1223841"	304.154326	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1206871"	152.580801	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"196464"	569.21216	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"634930"	831.33266	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1137343"	307.09166	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"176259"	285.109718	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"614722"	416.169968	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1118231"	154.049468	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1402847"	103.035404	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1433869"	309.133246	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"224658"	290.14274	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1513819"	323.18529	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"416788"	293.096688	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"774503"	424.156938	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1671934"	162.036438	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"256266"	588.256768	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1231162"	326.136268	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1718955"	326.159793	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1182123"	110.362718	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1656389"	331.115188	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"168718"	601.16004	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"609372"	863.28054	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1088416"	339.03954	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"150711"	301.083658	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"591366"	432.143908	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1070165"	170.023408	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1101551"	341.054092	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1336963"	341.141707	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1006706"	345.180876	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1525440"	346.174508	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"993104"	173.094076	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1590887"	347.089128	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1414722"	377.120638	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1156684"	193.607351	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1706235"	394.147185	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1644074"	399.10258	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1574259"	415.07652	"C09523"	"Parthenin"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"810094"	312.1725	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M"	0
"977428"	293.15411	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-H2O-H"	-19.01839
"68584"	207.107724	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M-3H"	-3.021828
"505227"	311.165224	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M-3H"	-3.021828
"887040"	103.050224	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-3H"	-3.021828
"429"	311.165224	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M-2H"	-2.014552
"440429"	467.251474	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M-2H"	-2.014552
"819696"	155.078974	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-2H"	-2.014552
"78828"	623.337724	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M-H"	-1.007276
"518632"	935.510224	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M-H"	-1.007276
"901427"	311.165224	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-H"	-1.007276
"55801"	640.364271	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M-2H+NH4"	16.019271
"491354"	952.536771	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M-2H+NH4"	16.019271
"866608"	328.191771	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-2H+NH4"	16.019271
"44352"	645.319666	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M-2H+Na"	20.974666
"482818"	957.492166	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M-2H+Na"	20.974666
"849562"	333.147166	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-2H+Na"	20.974666
"1622504"	333.147166	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Na-2H"	20.974666
"95751"	329.153563	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M-H+Cl"	33.962126
"535309"	485.239813	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M-H+Cl"	33.962126
"932107"	173.067313	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-H+Cl"	33.962126
"269204"	659.314402	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+Cl"	34.969402
"669647"	971.486902	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+Cl"	34.969402
"1275488"	347.141902	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Cl"	34.969402
"15855"	661.293606	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M-2H+K"	36.948606
"456636"	973.466106	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M-2H+K"	36.948606
"836872"	349.121106	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-2H+K"	36.948606
"1559269"	349.121106	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+K-2H"	36.948606
"946058"	357.170694	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-H+HCOOH"	44.998194
"363173"	669.343201	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+HCOOH-H"	44.998201
"346808"	683.358851	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+Hac-H"	59.013851
"1497719"	371.186351	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Hac-H"	59.013851
"961253"	379.152651	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-H+NaCOOH"	66.980151
"113439"	347.141902	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+2Cl"	69.938804
"558102"	503.228152	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+2Cl"	69.938804
"1022890"	191.055652	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2Cl"	69.938804
"1243195"	391.091385	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Br"	78.918885
"1314404"	393.147372	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Cl+HCOOH"	80.974872
"1325338"	415.129329	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Cl+NaCOOH"	102.956829
"915302"	425.158086	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M-H+CF3COOH"	112.985586
"1288848"	461.134764	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Cl+CF3COOH"	148.962264
"1367978"	277.159824	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H-2H2O"	-35.012676
"1385108"	295.1698	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H-H2O"	-17.0027
"284434"	625.352276	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+H"	1.007276
"677582"	937.524776	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+H"	1.007276
"1353568"	313.179776	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H"	1.007276
"132297"	313.179776	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+2H"	2.014552
"569672"	469.266026	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+2H"	2.014552
"1043940"	157.093526	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2H"	2.014552
"206371"	209.122276	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+3H"	3.021828
"645929"	313.179776	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+3H"	3.021828
"1166239"	105.064776	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+3H"	3.021828
"426230"	642.378823	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+NH4"	18.033823
"793786"	954.551323	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+NH4"	18.033823
"1685743"	330.206323	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+NH4"	18.033823
"334018"	321.6930495	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+H+NH4"	19.041099
"725714"	477.7792995	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+H+NH4"	19.041099
"1480269"	165.6067995	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H+NH4"	19.041099
"402230"	647.334218	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+Na"	22.989218
"762131"	959.506718	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+Na"	22.989218
"1604031"	335.161718	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Na"	22.989218
"320266"	324.170747	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+H+Na"	23.996494
"708552"	480.256997	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+H+Na"	23.996494
"1463222"	168.084497	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H+Na"	23.996494
"1053066"	112.39209	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2H+Na"	25.00377
"1263625"	345.205986	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+CH3OH+H"	33.033486
"381107"	663.308158	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+K"	38.963158
"743194"	975.480658	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+K"	38.963158
"1544151"	351.135658	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+K"	38.963158
"307894"	332.157717	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+H+K"	39.970434
"705782"	488.243967	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+H+K"	39.970434
"1459602"	176.071467	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H+K"	39.970434
"248203"	666.378826	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+ACN+H"	42.033826
"1224193"	354.206326	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+ACN+H"	42.033826
"1205888"	177.606801	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+ACN+2H"	43.041102
"199854"	669.31616	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+2Na-H"	44.97116
"635041"	981.48866	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+2Na-H"	44.97116
"1137453"	357.14366	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2Na-H"	44.97116
"177463"	335.161718	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+2Na"	45.978436
"614105"	491.247968	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+2Na"	45.978436
"1116397"	179.075468	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2Na"	45.978436
"1401863"	119.719404	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H+2Na"	46.985712
"1433979"	359.185246	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H+HCOOH"	47.012746
"224768"	340.19474	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+3H2O+2H"	56.04448
"1511740"	373.23729	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+IsoProp+H"	61.06479
"412522"	343.148688	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+Na+K"	61.952376
"775707"	499.234938	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+Na+K"	61.952376
"1666940"	187.062438	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Na+K"	61.952376
"254183"	688.360768	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+ACN+Na"	64.015768
"1227991"	376.188268	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+ACN+Na"	64.015768
"1720158"	376.211793	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+NH4+HCOOH"	64.039293
"1182232"	127.046718	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+3Na"	68.967654
"1652848"	381.167188	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Na+HCOOH"	68.994688
"162266"	701.26404	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+2K-H"	76.91904
"607295"	1013.43654	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+2K-H"	76.91904
"1087433"	389.09154	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2K-H"	76.91904
"151914"	351.135658	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"2M+2K"	77.926316
"592569"	507.221908	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"3M+2K"	77.926316
"1072706"	195.049408	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2K"	77.926316
"1103728"	391.106092	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2K+H"	78.933592
"1338047"	391.193707	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+DMSO+H"	79.021207
"1008641"	395.232876	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2ACN+H"	83.060376
"1526768"	396.226508	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+IsoProp+Na+H"	84.054008
"993215"	198.120076	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+2ACN+2H"	84.067652
"1588327"	397.141128	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+K+HCOOH"	84.968628
"1415322"	427.172638	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+H+CF3COOH"	115.000138
"1156794"	218.633351	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+3ACN+2H"	125.094202
"1706345"	444.199185	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+NH4+CF3COOH"	132.026685
"1644184"	449.15458	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+Na+CF3COOH"	136.98208
"1574369"	465.12852	"C09524"	"Broussonin C"	"C20H24O3"	"312.1725"	"M+K+CF3COOH"	152.95602
"804736"	468.1995	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M"	0
"974433"	449.18111	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-H2O-H"	-19.01839
"66507"	311.125724	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M-3H"	-3.021828
"506066"	467.192224	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M-3H"	-3.021828
"884964"	155.059224	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-3H"	-3.021828
"257"	467.192224	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M-2H"	-2.014552
"440662"	701.291974	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M-2H"	-2.014552
"818713"	233.092474	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-2H"	-2.014552
"78942"	935.391724	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M-H"	-1.007276
"519479"	1403.591224	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M-H"	-1.007276
"901537"	467.192224	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-H"	-1.007276
"51903"	952.418271	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M-2H+NH4"	16.019271
"490734"	1420.617771	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M-2H+NH4"	16.019271
"866717"	484.218771	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-2H+NH4"	16.019271
"40087"	957.373666	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M-2H+Na"	20.974666
"474179"	1425.573166	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M-2H+Na"	20.974666
"851980"	489.174166	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-2H+Na"	20.974666
"1621521"	489.174166	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Na-2H"	20.974666
"94766"	485.180563	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M-H+Cl"	33.962126
"534690"	719.280313	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M-H+Cl"	33.962126
"927476"	251.080813	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-H+Cl"	33.962126
"269314"	971.368402	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+Cl"	34.969402
"667571"	1439.567902	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+Cl"	34.969402
"1273046"	503.168902	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Cl"	34.969402
"16696"	973.347606	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M-2H+K"	36.948606
"456624"	1441.547106	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M-2H+K"	36.948606
"838075"	505.148106	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-2H+K"	36.948606
"1561201"	505.148106	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+K-2H"	36.948606
"943247"	513.197694	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-H+HCOOH"	44.998194
"361941"	981.397201	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+HCOOH-H"	44.998201
"346073"	995.412851	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+Hac-H"	59.013851
"1493448"	527.213351	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Hac-H"	59.013851
"967559"	535.179651	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-H+NaCOOH"	66.980151
"113185"	503.168902	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+2Cl"	69.938804
"556025"	737.268652	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+2Cl"	69.938804
"1021905"	269.069152	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2Cl"	69.938804
"1243305"	547.118385	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Br"	78.918885
"1314514"	549.174372	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Cl+HCOOH"	80.974872
"1326541"	571.156329	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Cl+NaCOOH"	102.956829
"915412"	581.185086	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M-H+CF3COOH"	112.985586
"1289930"	617.161764	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Cl+CF3COOH"	148.962264
"1368816"	433.186824	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H-2H2O"	-35.012676
"1384491"	451.1968	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H-H2O"	-17.0027
"284180"	937.406276	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+H"	1.007276
"676964"	1405.605776	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+H"	1.007276
"1352342"	469.206776	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H"	1.007276
"135687"	469.206776	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+2H"	2.014552
"570875"	703.306526	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+2H"	2.014552
"1042957"	235.107026	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2H"	2.014552
"207574"	313.140276	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+3H"	3.021828
"648224"	469.206776	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+3H"	3.021828
"1165620"	157.073776	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+3H"	3.021828
"426339"	954.432823	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+NH4"	18.033823
"788429"	1422.632323	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+NH4"	18.033823
"1686947"	486.233323	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+NH4"	18.033823
"332307"	477.7200495	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+H+NH4"	19.041099
"724002"	711.8197995	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+H+NH4"	19.041099
"1478192"	243.6202995	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H+NH4"	19.041099
"401246"	959.388218	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+Na"	22.989218
"761148"	1427.587718	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+Na"	22.989218
"1604871"	491.188718	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Na"	22.989218
"320376"	480.197747	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+H+Na"	23.996494
"708420"	714.297497	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+H+Na"	23.996494
"1464426"	246.097997	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H+Na"	23.996494
"1053661"	164.40109	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2H+Na"	25.00377
"1265921"	501.232986	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+CH3OH+H"	33.033486
"383403"	975.362158	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+K"	38.963158
"745490"	1443.561658	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+K"	38.963158
"1545354"	507.162658	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+K"	38.963158
"306910"	488.184717	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+H+K"	39.970434
"702612"	722.284467	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+H+K"	39.970434
"1457525"	254.084967	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H+K"	39.970434
"248313"	978.432826	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+ACN+H"	42.033826
"1222847"	510.233326	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+ACN+H"	42.033826
"1202718"	255.620301	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+ACN+2H"	43.041102
"197777"	981.37016	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+2Na-H"	44.97116
"636244"	1449.56966	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+2Na-H"	44.97116
"1137563"	513.17066	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2Na-H"	44.97116
"177573"	491.188718	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+2Na"	45.978436
"617129"	725.288468	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+2Na"	45.978436
"1117358"	257.088968	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2Na"	45.978436
"1403065"	171.728404	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H+2Na"	46.985712
"1435181"	515.212246	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H+HCOOH"	47.012746
"225971"	496.22174	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+3H2O+2H"	56.04448
"1511850"	529.26429	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+IsoProp+H"	61.06479
"412631"	499.175688	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+Na+K"	61.952376
"778002"	733.275438	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+Na+K"	61.952376
"1674333"	265.075938	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Na+K"	61.952376
"255752"	1000.414768	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+ACN+Na"	64.015768
"1231381"	532.215268	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+ACN+Na"	64.015768
"1720268"	532.238793	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+NH4+HCOOH"	64.039293
"1182342"	179.055718	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+3Na"	68.967654
"1652594"	537.194188	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Na+HCOOH"	68.994688
"162376"	1013.31804	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+2K-H"	76.91904
"604125"	1481.51754	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+2K-H"	76.91904
"1088637"	545.11854	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2K-H"	76.91904
"148744"	507.162658	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"2M+2K"	77.926316
"590493"	741.262408	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"3M+2K"	77.926316
"1072086"	273.062908	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2K"	77.926316
"1103838"	547.133092	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2K+H"	78.933592
"1337670"	547.220707	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+DMSO+H"	79.021207
"1008385"	551.259876	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2ACN+H"	83.060376
"1526510"	552.253508	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+IsoProp+Na+H"	84.054008
"992232"	276.133576	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+2ACN+2H"	84.067652
"1591109"	553.168128	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+K+HCOOH"	84.968628
"1415676"	583.199638	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+H+CF3COOH"	115.000138
"1156904"	296.646851	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+3ACN+2H"	125.094202
"1706455"	600.226185	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+NH4+CF3COOH"	132.026685
"1644294"	605.18158	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+Na+CF3COOH"	136.98208
"1575572"	621.15552	"C09525"	"Paucin"	"C23H32O10"	"468.1995"	"M+K+CF3COOH"	152.95602
"803753"	338.1366	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M"	0
"977285"	319.11821	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-H2O-H"	-19.01839
"67711"	224.417124	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M-3H"	-3.021828
"507270"	337.129324	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M-3H"	-3.021828
"883981"	111.704924	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-3H"	-3.021828
"3646"	337.129324	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M-2H"	-2.014552
"440531"	506.197624	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M-2H"	-2.014552
"818823"	168.061024	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-2H"	-2.014552
"82094"	675.265924	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M-H"	-1.007276
"520561"	1013.402524	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M-H"	-1.007276
"899460"	337.129324	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-H"	-1.007276
"49462"	692.292471	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M-2H+NH4"	16.019271
"487685"	1030.429071	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M-2H+NH4"	16.019271
"864475"	354.155871	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-2H+NH4"	16.019271
"36917"	697.247866	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M-2H+Na"	20.974666
"472102"	1035.384466	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M-2H+Na"	20.974666
"848531"	359.111266	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-2H+Na"	20.974666
"1620538"	359.111266	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Na-2H"	20.974666
"95970"	355.117663	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M-H+Cl"	33.962126
"535529"	524.185963	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M-H+Cl"	33.962126
"927827"	186.049363	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-H+Cl"	33.962126
"267965"	711.242602	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+Cl"	34.969402
"666952"	1049.379202	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+Cl"	34.969402
"1273071"	373.106002	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Cl"	34.969402
"15837"	713.221806	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M-2H+K"	36.948606
"455815"	1051.358406	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M-2H+K"	36.948606
"836361"	375.085206	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-2H+K"	36.948606
"1555591"	375.085206	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+K-2H"	36.948606
"943030"	383.134794	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-H+HCOOH"	44.998194
"361436"	721.271401	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+HCOOH-H"	44.998201
"346018"	735.287051	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+Hac-H"	59.013851
"1494287"	397.150451	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Hac-H"	59.013851
"966576"	405.116751	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-H+NaCOOH"	66.980151
"116575"	373.106002	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+2Cl"	69.938804
"556135"	542.174302	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+2Cl"	69.938804
"1024202"	204.037702	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2Cl"	69.938804
"1242686"	417.055485	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Br"	78.918885
"1314624"	419.111472	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Cl+HCOOH"	80.974872
"1324463"	441.093429	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Cl+NaCOOH"	102.956829
"912966"	451.122186	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M-H+CF3COOH"	112.985586
"1289186"	487.098864	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Cl+CF3COOH"	148.962264
"1368072"	303.123924	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H-2H2O"	-35.012676
"1384237"	321.1339	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H-H2O"	-17.0027
"285748"	677.280476	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+H"	1.007276
"677439"	1015.417076	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+H"	1.007276
"1354151"	339.143876	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H"	1.007276
"128142"	339.143876	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+2H"	2.014552
"572078"	508.212176	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+2H"	2.014552
"1041972"	170.075576	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2H"	2.014552
"205496"	226.431676	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+3H"	3.021828
"645050"	339.143876	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+3H"	3.021828
"1163419"	113.719476	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+3H"	3.021828
"425720"	694.307023	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+NH4"	18.033823
"787445"	1032.443623	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+NH4"	18.033823
"1682556"	356.170423	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+NH4"	18.033823
"332052"	347.6571495	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+H+NH4"	19.041099
"723460"	516.7254495	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+H+NH4"	19.041099
"1478665"	178.5888495	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H+NH4"	19.041099
"400262"	699.262418	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+Na"	22.989218
"761257"	1037.399018	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+Na"	22.989218
"1604252"	361.125818	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Na"	22.989218
"316841"	350.134847	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+H+Na"	23.996494
"707799"	519.203147	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+H+Na"	23.996494
"1462714"	181.066547	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H+Na"	23.996494
"1053163"	121.04679	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2H+Na"	25.00377
"1262752"	371.170086	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+CH3OH+H"	33.033486
"383512"	715.236358	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+K"	38.963158
"744507"	1053.372958	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+K"	38.963158
"1542185"	377.099758	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+K"	38.963158
"305927"	358.121817	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+H+K"	39.970434
"701629"	527.190117	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+H+K"	39.970434
"1452168"	189.053517	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H+K"	39.970434
"244049"	718.307026	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+ACN+H"	42.033826
"1222227"	380.170426	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+ACN+H"	42.033826
"1205015"	190.588851	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+ACN+2H"	43.041102
"195701"	721.24436	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+2Na-H"	44.97116
"633072"	1059.38096	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+2Na-H"	44.97116
"1136580"	383.10776	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2Na-H"	44.97116
"176590"	361.125818	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+2Na"	45.978436
"619793"	530.194118	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+2Na"	45.978436
"1119655"	192.057518	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2Na"	45.978436
"1406459"	128.374104	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H+2Na"	46.985712
"1439668"	385.149346	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H+HCOOH"	47.012746
"229365"	366.15884	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+3H2O+2H"	56.04448
"1511959"	399.20139	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+IsoProp+H"	61.06479
"409703"	369.112788	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+Na+K"	61.952376
"773738"	538.181088	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+Na+K"	61.952376
"1666789"	200.044488	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Na+K"	61.952376
"254405"	740.288968	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+ACN+Na"	64.015768
"1227116"	402.152368	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+ACN+Na"	64.015768
"1717098"	402.175893	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+NH4+HCOOH"	64.039293
"1182452"	135.701418	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+3Na"	68.967654
"1651978"	407.131288	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Na+HCOOH"	68.994688
"160299"	753.19224	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+2K-H"	76.91904
"604235"	1091.32884	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+2K-H"	76.91904
"1089841"	415.05564	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2K-H"	76.91904
"152133"	377.099758	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"2M+2K"	77.926316
"588412"	546.168058	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"3M+2K"	77.926316
"1071464"	208.031458	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2K"	77.926316
"1102854"	417.070192	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2K+H"	78.933592
"1338145"	417.157807	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+DMSO+H"	79.021207
"1007160"	421.196976	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2ACN+H"	83.060376
"1524797"	422.190608	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+IsoProp+Na+H"	84.054008
"992341"	211.102126	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+2ACN+2H"	84.067652
"1587330"	423.105228	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+K+HCOOH"	84.968628
"1415785"	453.136738	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+H+CF3COOH"	115.000138
"1157014"	231.615401	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+3ACN+2H"	125.094202
"1706565"	470.163285	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+NH4+CF3COOH"	132.026685
"1644404"	475.11868	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+Na+CF3COOH"	136.98208
"1573496"	491.09262	"C09526"	"1-Peroxyferolide"	"C17H22O7"	"338.1366"	"M+K+CF3COOH"	152.95602
"804956"	374.1729	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M"	0
"977394"	355.15451	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-H2O-H"	-19.01839
"68914"	248.441324	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M-3H"	-3.021828
"508474"	373.165624	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M-3H"	-3.021828
"885184"	123.717024	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-3H"	-3.021828
"839"	373.165624	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M-2H"	-2.014552
"440760"	560.252074	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M-2H"	-2.014552
"819297"	186.079174	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-2H"	-2.014552
"80742"	747.338524	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M-H"	-1.007276
"520667"	1121.511424	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M-H"	-1.007276
"897383"	373.165624	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-H"	-1.007276
"51758"	764.365071	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M-2H+NH4"	16.019271
"489131"	1138.537971	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M-2H+NH4"	16.019271
"869126"	390.192171	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-2H+NH4"	16.019271
"32164"	769.320466	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M-2H+Na"	20.974666
"472204"	1143.493366	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M-2H+Na"	20.974666
"848715"	395.147566	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-2H+Na"	20.974666
"1623927"	395.147566	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Na-2H"	20.974666
"99360"	391.153963	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M-H+Cl"	33.962126
"535638"	578.240413	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M-H+Cl"	33.962126
"928426"	204.067513	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-H+Cl"	33.962126
"267587"	783.315202	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+Cl"	34.969402
"668155"	1157.488102	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+Cl"	34.969402
"1274725"	409.142302	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Cl"	34.969402
"19104"	785.294406	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M-2H+K"	36.948606
"456069"	1159.467306	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M-2H+K"	36.948606
"839022"	411.121506	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-2H+K"	36.948606
"1557040"	411.121506	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+K-2H"	36.948606
"946382"	419.171094	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-H+HCOOH"	44.998194
"363136"	793.344001	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+HCOOH-H"	44.998201
"347019"	807.359651	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+Hac-H"	59.013851
"1493423"	433.186751	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Hac-H"	59.013851
"958610"	441.153051	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-H+NaCOOH"	66.980151
"110026"	409.142302	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+2Cl"	69.938804
"550769"	596.228752	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+2Cl"	69.938804
"1025406"	222.055852	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2Cl"	69.938804
"1243525"	453.091785	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Br"	78.918885
"1318013"	455.147772	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Cl+HCOOH"	80.974872
"1325666"	477.129729	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Cl+NaCOOH"	102.956829
"914533"	487.158486	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M-H+CF3COOH"	112.985586
"1289214"	523.135164	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Cl+CF3COOH"	148.962264
"1368183"	339.160224	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H-2H2O"	-35.012676
"1384224"	357.1702	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H-H2O"	-17.0027
"286222"	749.353076	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+H"	1.007276
"676697"	1123.525976	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+H"	1.007276
"1353533"	375.180176	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H"	1.007276
"129709"	375.180176	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+2H"	2.014552
"571095"	562.266626	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+2H"	2.014552
"1040987"	188.093726	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2H"	2.014552
"205239"	250.455876	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+3H"	3.021828
"645163"	375.180176	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+3H"	3.021828
"1164138"	125.731576	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+3H"	3.021828
"425220"	766.379623	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+NH4"	18.033823
"786093"	1140.552523	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+NH4"	18.033823
"1681816"	392.206723	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+NH4"	18.033823
"330338"	383.6934495	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+H+NH4"	19.041099
"723611"	570.7798995	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+H+NH4"	19.041099
"1477674"	196.6069995	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H+NH4"	19.041099
"394413"	771.335018	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+Na"	22.989218
"754923"	1145.507918	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+Na"	22.989218
"1604361"	397.162118	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Na"	22.989218
"316951"	386.171147	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+H+Na"	23.996494
"709124"	573.257597	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+H+Na"	23.996494
"1465009"	199.084697	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H+Na"	23.996494
"1054250"	133.05889	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2H+Na"	25.00377
"1262860"	407.206386	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+CH3OH+H"	33.033486
"382528"	787.308958	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+K"	38.963158
"746802"	1161.481858	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+K"	38.963158
"1542294"	413.136058	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+K"	38.963158
"302757"	394.158117	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+H+K"	39.970434
"700646"	581.244567	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+H+K"	39.970434
"1452278"	207.071667	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H+K"	39.970434
"243066"	790.379626	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+ACN+H"	42.033826
"1222338"	416.206726	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+ACN+H"	42.033826
"1204033"	208.607001	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+ACN+2H"	43.041102
"194717"	793.31696	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+2Na-H"	44.97116
"630996"	1167.48986	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+2Na-H"	44.97116
"1133410"	419.14406	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2Na-H"	44.97116
"176700"	397.162118	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+2Na"	45.978436
"617352"	584.248568	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+2Na"	45.978436
"1118669"	210.075668	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2Na"	45.978436
"1402196"	140.386204	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H+2Na"	46.985712
"1435404"	421.185646	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H+HCOOH"	47.012746
"228378"	402.19514	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+3H2O+2H"	56.04448
"1516440"	435.23769	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+IsoProp+H"	61.06479
"409571"	405.149088	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+Na+K"	61.952376
"774942"	592.235538	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+Na+K"	61.952376
"1667993"	218.062638	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Na+K"	61.952376
"253421"	812.361568	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+ACN+Na"	64.015768
"1232694"	438.188668	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+ACN+Na"	64.015768
"1717208"	438.212193	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+NH4+HCOOH"	64.039293
"1180375"	147.713518	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+3Na"	68.967654
"1654641"	443.167588	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Na+HCOOH"	68.994688
"160409"	825.26484	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+2K-H"	76.91904
"604345"	1199.43774	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+2K-H"	76.91904
"1093231"	451.09194	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2K-H"	76.91904
"148964"	413.136058	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"2M+2K"	77.926316
"591802"	600.222508	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"3M+2K"	77.926316
"1074125"	226.049608	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2K"	77.926316
"1107336"	453.106492	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2K+H"	78.933592
"1343721"	453.194107	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+DMSO+H"	79.021207
"1008970"	457.233276	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2ACN+H"	83.060376
"1527096"	458.226908	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+IsoProp+Na+H"	84.054008
"995730"	229.120276	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+2ACN+2H"	84.067652
"1591329"	459.141528	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+K+HCOOH"	84.968628
"1418082"	489.173038	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+H+CF3COOH"	115.000138
"1151654"	249.633551	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+3ACN+2H"	125.094202
"1706675"	506.199585	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+NH4+CF3COOH"	132.026685
"1645607"	511.15498	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+Na+CF3COOH"	136.98208
"1573606"	527.12892	"C09527"	"Phantomolin"	"C21H26O6"	"374.1729"	"M+K+CF3COOH"	152.95602
"805066"	310.1053	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M"	0
"976046"	291.08691	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-H2O-H"	-19.01839
"65745"	205.729590666667	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M-3H"	-3.021828
"506398"	309.098024	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M-3H"	-3.021828
"881649"	102.361157333333	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-3H"	-3.021828
"152"	309.098024	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M-2H"	-2.014552
"440627"	464.150674	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M-2H"	-2.014552
"819408"	154.045374	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-2H"	-2.014552
"79758"	619.203324	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M-H"	-1.007276
"519445"	929.308624	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M-H"	-1.007276
"896276"	309.098024	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-H"	-1.007276
"50774"	636.229871	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M-2H+NH4"	16.019271
"488269"	946.335171	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M-2H+NH4"	16.019271
"870329"	326.124571	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-2H+NH4"	16.019271
"34218"	641.185266	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M-2H+Na"	20.974666
"473048"	951.290566	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M-2H+Na"	20.974666
"850248"	331.079966	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-2H+Na"	20.974666
"1619663"	331.079966	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Na-2H"	20.974666
"94599"	327.086363	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M-H+Cl"	33.962126
"534402"	482.139013	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M-H+Cl"	33.962126
"931453"	172.033713	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-H+Cl"	33.962126
"267575"	655.180002	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+Cl"	34.969402
"666078"	965.285302	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+Cl"	34.969402
"1273496"	345.074702	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Cl"	34.969402
"19943"	657.159206	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M-2H+K"	36.948606
"455847"	967.264506	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M-2H+K"	36.948606
"839132"	347.053906	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-2H+K"	36.948606
"1557150"	347.053906	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+K-2H"	36.948606
"946492"	355.103494	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-H+HCOOH"	44.998194
"362884"	665.208801	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+HCOOH-H"	44.998201
"347492"	679.224451	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+Hac-H"	59.013851
"1492935"	369.119151	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Hac-H"	59.013851
"959008"	377.085451	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-H+NaCOOH"	66.980151
"110001"	345.074702	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+2Cl"	69.938804
"553068"	500.127352	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+2Cl"	69.938804
"1025882"	190.022052	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2Cl"	69.938804
"1248012"	389.024185	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Br"	78.918885
"1312656"	391.080172	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Cl+HCOOH"	80.974872
"1324683"	413.062129	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Cl+NaCOOH"	102.956829
"912094"	423.090886	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M-H+CF3COOH"	112.985586
"1288998"	459.067564	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Cl+CF3COOH"	148.962264
"1368417"	275.092624	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H-2H2O"	-35.012676
"1384092"	293.1026	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H-H2O"	-17.0027
"284876"	621.217876	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+H"	1.007276
"676565"	931.323176	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+H"	1.007276
"1352185"	311.112576	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H"	1.007276
"131641"	311.112576	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+2H"	2.014552
"573390"	466.165226	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+2H"	2.014552
"1043283"	156.059926	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2H"	2.014552
"207172"	207.744142666667	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+3H"	3.021828
"644908"	311.112576	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+3H"	3.021828
"1163764"	104.375709333333	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+3H"	3.021828
"425577"	638.244423	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+NH4"	18.033823
"787666"	948.349723	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+NH4"	18.033823
"1684361"	328.139123	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+NH4"	18.033823
"333367"	319.6258495	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+H+NH4"	19.041099
"723724"	474.6784995	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+H+NH4"	19.041099
"1477663"	164.5731995	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H+NH4"	19.041099
"393308"	643.199818	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+Na"	22.989218
"755520"	953.305118	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+Na"	22.989218
"1605566"	333.094518	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Na"	22.989218
"318520"	322.103547	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+H+Na"	23.996494
"708992"	477.156197	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+H+Na"	23.996494
"1465119"	167.050897	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H+Na"	23.996494
"1055453"	111.703023333333	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2H+Na"	25.00377
"1267343"	343.138786	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+CH3OH+H"	33.033486
"384825"	659.173758	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+K"	38.963158
"744727"	969.279058	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+K"	38.963158
"1541676"	349.068458	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+K"	38.963158
"305053"	330.090517	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+H+K"	39.970434
"698570"	485.143167	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+H+K"	39.970434
"1454577"	175.037867	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H+K"	39.970434
"249741"	662.244426	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+ACN+H"	42.033826
"1220262"	352.139126	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+ACN+H"	42.033826
"1204143"	176.573201	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+ACN+2H"	43.041102
"199201"	665.18176	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+2Na-H"	44.97116
"633294"	975.28706	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+2Na-H"	44.97116
"1133520"	355.07646	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2Na-H"	44.97116
"178997"	333.094518	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+2Na"	45.978436
"617463"	488.147168	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+2Na"	45.978436
"1119874"	178.041868	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2Na"	45.978436
"1402670"	119.030337333333	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H+2Na"	46.985712
"1437700"	357.118046	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H+HCOOH"	47.012746
"229581"	338.12754	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+3H2O+2H"	56.04448
"1515457"	371.17009	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+IsoProp+H"	61.06479
"418430"	341.081488	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+Na+K"	61.952376
"777240"	496.134138	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+Na+K"	61.952376
"1669198"	186.028838	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Na+K"	61.952376
"257174"	684.226368	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+ACN+Na"	64.015768
"1233897"	374.121068	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+ACN+Na"	64.015768
"1719504"	374.144593	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+NH4+HCOOH"	64.039293
"1181578"	126.357651333333	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+3Na"	68.967654
"1653658"	379.099988	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Na+HCOOH"	68.994688
"160154"	697.12964	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+2K-H"	76.91904
"601174"	1007.23494	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+2K-H"	76.91904
"1090061"	387.02434	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2K-H"	76.91904
"153447"	349.068458	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"2M+2K"	77.926316
"589726"	504.121108	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"3M+2K"	77.926316
"1075329"	194.015808	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2K"	77.926316
"1108539"	389.038892	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2K+H"	78.933592
"1341644"	389.126507	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+DMSO+H"	79.021207
"1011267"	393.165676	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2ACN+H"	83.060376
"1526234"	394.159308	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+IsoProp+Na+H"	84.054008
"993654"	197.086476	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+2ACN+2H"	84.067652
"1590346"	395.073928	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+K+HCOOH"	84.968628
"1417099"	425.105438	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+H+CF3COOH"	115.000138
"1149578"	217.599751	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+3ACN+2H"	125.094202
"1706785"	442.131985	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+NH4+CF3COOH"	132.026685
"1644624"	447.08738	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+Na+CF3COOH"	136.98208
"1573716"	463.06132	"C09528"	"Picrotin"	"C15H18O7"	"310.1053"	"M+K+CF3COOH"	152.95602
"810645"	292.0947	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M"	0
"978710"	273.07631	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-H2O-H"	-19.01839
"65858"	193.722524	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M-3H"	-3.021828
"506512"	291.087424	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M-3H"	-3.021828
"884312"	96.357624	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-3H"	-3.021828
"5074"	291.087424	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M-2H"	-2.014552
"447914"	437.134774	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M-2H"	-2.014552
"822437"	145.040074	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-2H"	-2.014552
"81334"	583.182124	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M-H"	-1.007276
"519070"	875.276824	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M-H"	-1.007276
"903076"	291.087424	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-H"	-1.007276
"51982"	600.208671	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M-2H+NH4"	16.019271
"497012"	892.303371	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M-2H+NH4"	16.019271
"869347"	308.113971	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-2H+NH4"	16.019271
"32627"	605.164066	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M-2H+Na"	20.974666
"477902"	897.258766	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M-2H+Na"	20.974666
"851333"	313.069366	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-2H+Na"	20.974666
"1628523"	313.069366	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Na-2H"	20.974666
"103957"	309.075763	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M-H+Cl"	33.962126
"538050"	455.123113	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M-H+Cl"	33.962126
"939220"	163.028413	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-H+Cl"	33.962126
"278870"	619.158802	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+Cl"	34.969402
"672388"	911.253502	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+Cl"	34.969402
"1283696"	327.064102	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Cl"	34.969402
"25159"	621.138006	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M-2H+K"	36.948606
"461802"	913.232706	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M-2H+K"	36.948606
"841427"	329.043306	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-2H+K"	36.948606
"1558716"	329.043306	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+K-2H"	36.948606
"948427"	337.092894	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-H+HCOOH"	44.998194
"362020"	629.187601	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+HCOOH-H"	44.998201
"346874"	643.203251	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+Hac-H"	59.013851
"1497173"	351.108551	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Hac-H"	59.013851
"962528"	359.074851	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-H+NaCOOH"	66.980151
"113622"	327.064102	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+2Cl"	69.938804
"559381"	473.111452	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+2Cl"	69.938804
"1025265"	181.016752	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2Cl"	69.938804
"1248126"	371.013585	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Br"	78.918885
"1313859"	373.069572	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Cl+HCOOH"	80.974872
"1323700"	395.051529	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Cl+NaCOOH"	102.956829
"912205"	405.080286	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M-H+CF3COOH"	112.985586
"1288912"	441.056964	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Cl+CF3COOH"	148.962264
"1367803"	257.082024	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H-2H2O"	-35.012676
"1384937"	275.092	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H-H2O"	-17.0027
"287903"	585.196676	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+H"	1.007276
"676068"	877.291376	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+H"	1.007276
"1353392"	293.101976	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H"	1.007276
"131751"	293.101976	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+2H"	2.014552
"566329"	439.149326	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+2H"	2.014552
"1040112"	147.054626	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2H"	2.014552
"206917"	195.737076	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+3H"	3.021828
"646476"	293.101976	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+3H"	3.021828
"1164602"	98.372176	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+3H"	3.021828
"425686"	602.223223	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+NH4"	18.033823
"786076"	894.317923	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+NH4"	18.033823
"1685200"	310.128523	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+NH4"	18.033823
"334571"	301.6152495	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+H+NH4"	19.041099
"726992"	447.6625995	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+H+NH4"	19.041099
"1479722"	155.5678995	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H+NH4"	19.041099
"394390"	607.178618	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+Na"	22.989218
"755752"	899.273318	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+Na"	22.989218
"1604214"	315.083918	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Na"	22.989218
"314984"	304.092947	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+H+Na"	23.996494
"709588"	450.140297	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+H+Na"	23.996494
"1462313"	158.045597	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H+Na"	23.996494
"1060306"	105.69949	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2H+Na"	25.00377
"1264172"	325.128186	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+CH3OH+H"	33.033486
"384935"	623.152558	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+K"	38.963158
"742650"	915.247258	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+K"	38.963158
"1544704"	331.057858	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+K"	38.963158
"307350"	312.079917	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+H+K"	39.970434
"700867"	458.127267	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+H+K"	39.970434
"1455779"	166.032567	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H+K"	39.970434
"244381"	626.223226	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+ACN+H"	42.033826
"1215996"	334.128526	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+ACN+H"	42.033826
"1205346"	167.567901	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+ACN+2H"	43.041102
"198217"	629.16056	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+2Na-H"	44.97116
"633404"	921.25526	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+2Na-H"	44.97116
"1139097"	337.06586	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2Na-H"	44.97116
"181294"	315.083918	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+2Na"	45.978436
"615507"	461.131268	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+2Na"	45.978436
"1122171"	169.036568	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2Na"	45.978436
"1405696"	113.026804	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H+2Na"	46.985712
"1438541"	339.107446	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H+HCOOH"	47.012746
"225318"	320.11694	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+3H2O+2H"	56.04448
"1517755"	353.15949	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+IsoProp+H"	61.06479
"417447"	323.070888	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+Na+K"	61.952376
"777353"	469.118238	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+Na+K"	61.952376
"1668214"	177.023538	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Na+K"	61.952376
"260207"	648.205168	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+ACN+Na"	64.015768
"1231822"	356.110468	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+ACN+Na"	64.015768
"1717428"	356.133993	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+NH4+HCOOH"	64.039293
"1188250"	120.354118	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+3Na"	68.967654
"1659236"	361.089388	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Na+HCOOH"	68.994688
"167191"	661.10844	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+2K-H"	76.91904
"605659"	953.20314	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+2K-H"	76.91904
"1094547"	369.01374	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2K-H"	76.91904
"148082"	331.057858	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"2M+2K"	77.926316
"584363"	477.105208	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"3M+2K"	77.926316
"1076536"	185.010508	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2K"	77.926316
"1108649"	371.028292	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2K+H"	78.933592
"1343945"	371.115907	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+DMSO+H"	79.021207
"1010284"	375.155076	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2ACN+H"	83.060376
"1531694"	376.148708	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+IsoProp+Na+H"	84.054008
"998139"	188.081176	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+2ACN+2H"	84.067652
"1593736"	377.063328	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+K+HCOOH"	84.968628
"1419396"	407.094838	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+H+CF3COOH"	115.000138
"1151147"	208.594451	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+3ACN+2H"	125.094202
"1704708"	424.121385	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+NH4+CF3COOH"	132.026685
"1643641"	429.07678	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+Na+CF3COOH"	136.98208
"1573826"	445.05072	"C09529"	"Picrotoxinin"	"C15H16O6"	"292.0947"	"M+K+CF3COOH"	152.95602
"807473"	264.1362	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M"	0
"974555"	245.11781	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"63779"	175.083524	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"507712"	263.128924	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"881142"	87.038124	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"1905"	263.128924	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"442558"	395.197024	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"820359"	131.060824	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"78929"	527.265124	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"518647"	791.401324	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"903186"	263.128924	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"49906"	544.291671	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"497122"	808.427871	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"868364"	280.155471	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"32983"	549.247066	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"474732"	813.383266	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"860191"	285.110866	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1626445"	285.110866	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"98598"	281.117263	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"538524"	413.185363	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"939331"	149.049163	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"280074"	563.241802	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"674562"	827.378002	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1283806"	299.105602	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"25269"	565.221006	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"459362"	829.357206	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"840444"	301.084806	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1558099"	301.084806	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"948537"	309.134394	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"365659"	573.270601	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"349543"	587.286251	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1497284"	323.150051	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"962638"	331.116351	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"118107"	299.105602	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"561314"	431.173702	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1027564"	167.037502	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1244227"	343.055085	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1313969"	345.111072	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1323809"	367.093029	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"913044"	377.121786	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1288778"	413.098464	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1367629"	229.123524	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1385047"	247.1335	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"288013"	529.279676	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"676178"	793.415876	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1353502"	265.143476	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"134048"	265.143476	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"570327"	397.211576	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1040586"	133.075376	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"209214"	177.098076	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"647680"	265.143476	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1163090"	89.052676	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"424659"	546.306223	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"788252"	810.442423	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1686404"	282.170023	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"335775"	273.6567495	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"724309"	405.7248495	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1477886"	141.5886495	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"394378"	551.261618	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"755863"	815.397818	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1604325"	287.125418	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"317645"	276.134447	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"709334"	408.202547	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1462427"	144.066347	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1060417"	96.37999	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1259543"	297.169686	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"380672"	567.235558	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"739479"	831.371758	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1541534"	303.099358	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"299074"	284.121417	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"691408"	416.189517	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1449327"	152.053317	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"242303"	570.306226	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1213918"	306.170026	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1196707"	153.588651	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"189251"	573.24356	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"629381"	837.37976	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1131835"	309.10736	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"173379"	287.125418	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"616589"	419.193518	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1117906"	155.057318	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1402526"	103.707304	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1433548"	311.148946	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"222269"	292.15844	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1511305"	325.20099	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"416463"	295.112388	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"776370"	427.180488	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1666502"	163.044288	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"255943"	592.288168	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1230839"	328.151968	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1717538"	328.175493	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1182893"	111.034618	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1658253"	333.130888	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"164021"	605.19144	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"606863"	869.32764	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1091377"	341.05524	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"143819"	303.099358	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"584474"	435.167458	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1077739"	171.031258	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1106572"	343.069792	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1337853"	343.157407	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1009300"	347.196576	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1530711"	348.190208	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"994969"	174.101926	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1589472"	349.104828	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1416226"	379.136338	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1150163"	194.615201	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1704818"	396.162885	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1644844"	401.11828	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1572841"	417.09222	"C09530"	"Pleniradin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"804303"	264.1362	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M"	0
"975647"	245.11781	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"63889"	175.083524	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"507822"	263.128924	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"882345"	87.038124	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"595"	263.128924	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"441574"	395.197024	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"819376"	131.060824	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"80461"	527.265124	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"519400"	791.401324	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"903296"	263.128924	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"52202"	544.291671	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"497232"	808.427871	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"870660"	280.155471	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"35279"	549.247066	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"478122"	813.383266	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"859208"	285.110866	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1625461"	285.110866	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"98708"	281.117263	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"538268"	413.185363	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"937252"	149.049163	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"270339"	563.241802	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"671513"	827.378002	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1280634"	299.105602	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"25379"	565.221006	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"460565"	829.357206	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"840554"	301.084806	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1559668"	301.084806	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"945368"	309.134394	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"362243"	573.270601	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"347466"	587.286251	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1495206"	323.150051	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"963842"	331.116351	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"112750"	299.105602	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"562518"	431.173702	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1032777"	167.037502	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1247253"	343.055085	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1312986"	345.111072	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1323919"	367.093029	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"914247"	377.121786	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1288768"	413.098464	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1368752"	229.123524	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1386250"	247.1335	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"288123"	529.279676	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"676329"	793.415876	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1353612"	265.143476	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"131971"	265.143476	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"569343"	397.211576	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1041425"	133.075376	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"210417"	177.098076	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"647790"	265.143476	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1165915"	89.052676	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"425177"	546.306223	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"787997"	810.442423	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1688701"	282.170023	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"334791"	273.6567495	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"728308"	405.7248495	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1482128"	141.5886495	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"396433"	551.261618	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"758158"	815.397818	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1606985"	287.125418	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"317392"	276.134447	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"709080"	408.202547	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1466181"	144.066347	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1062712"	96.37999	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1261112"	297.169686	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"381876"	567.235558	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"740682"	831.371758	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1541644"	303.099358	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"301007"	284.121417	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"691395"	416.189517	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1449437"	152.053317	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"241320"	570.306226	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1215122"	306.170026	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1199004"	153.588651	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"190050"	573.24356	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"632529"	837.37976	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1133849"	309.10736	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"174952"	287.125418	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"615606"	419.193518	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1116922"	155.057318	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1399597"	103.707304	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1431471"	311.148946	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"226632"	292.15844	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1514694"	325.20099	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"413294"	295.112388	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"779760"	427.180488	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1670623"	163.044288	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"256046"	592.288168	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1232041"	328.151968	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1716554"	328.175493	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1183003"	111.034618	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1659456"	333.130888	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"165224"	605.19144	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"605879"	869.32764	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1092580"	341.05524	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"143929"	303.099358	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"585677"	435.167458	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1078579"	171.031258	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1105589"	343.069792	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1337599"	343.157407	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1008317"	347.196576	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1533007"	348.190208	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"996172"	174.101926	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1588489"	349.104828	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1418523"	379.136338	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1151003"	194.615201	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1703835"	396.162885	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1644954"	401.11828	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1574044"	417.09222	"C09531"	"Plenolin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"804413"	436.2097	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M"	0
"974905"	417.19131	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-H2O-H"	-19.01839
"65091"	289.799190666667	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M-3H"	-3.021828
"507932"	435.202424	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M-3H"	-3.021828
"880632"	144.395957333333	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-3H"	-3.021828
"784"	435.202424	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M-2H"	-2.014552
"441073"	653.307274	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M-2H"	-2.014552
"820579"	217.097574	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-2H"	-2.014552
"79716"	871.412124	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M-H"	-1.007276
"518908"	1307.621824	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M-H"	-1.007276
"896962"	435.202424	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-H"	-1.007276
"49029"	888.438671	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M-2H+NH4"	16.019271
"491871"	1324.648371	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M-2H+NH4"	16.019271
"869677"	452.228971	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-2H+NH4"	16.019271
"35387"	893.394066	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M-2H+Na"	20.974666
"477137"	1329.603766	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M-2H+Na"	20.974666
"859318"	457.184366	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-2H+Na"	20.974666
"1625571"	457.184366	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Na-2H"	20.974666
"97725"	453.190763	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M-H+Cl"	33.962126
"538378"	671.295613	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M-H+Cl"	33.962126
"936269"	235.085913	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-H+Cl"	33.962126
"269356"	907.388802	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+Cl"	34.969402
"670529"	1343.598502	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+Cl"	34.969402
"1280744"	471.179102	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Cl"	34.969402
"25489"	909.368006	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M-2H+K"	36.948606
"462861"	1345.577706	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M-2H+K"	36.948606
"838475"	473.158306	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-2H+K"	36.948606
"1560869"	473.158306	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+K-2H"	36.948606
"945107"	481.207894	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-H+HCOOH"	44.998194
"363322"	917.417601	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+HCOOH-H"	44.998201
"346470"	931.433251	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+Hac-H"	59.013851
"1494569"	495.223551	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Hac-H"	59.013851
"960669"	503.189851	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-H+NaCOOH"	66.980151
"110299"	471.179102	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+2Cl"	69.938804
"561898"	689.283952	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+2Cl"	69.938804
"1031064"	253.074252	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2Cl"	69.938804
"1247363"	515.128585	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Br"	78.918885
"1313096"	517.184572	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Cl+HCOOH"	80.974872
"1323300"	539.166529	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Cl+NaCOOH"	102.956829
"912900"	549.195286	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M-H+CF3COOH"	112.985586
"1289606"	585.171964	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Cl+CF3COOH"	148.962264
"1367769"	401.197024	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H-2H2O"	-35.012676
"1385267"	419.207	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H-H2O"	-17.0027
"286047"	873.426676	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+H"	1.007276
"676317"	1309.636376	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+H"	1.007276
"1354815"	437.216976	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H"	1.007276
"132081"	437.216976	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+2H"	2.014552
"568359"	655.321826	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+2H"	2.014552
"1042629"	219.112126	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2H"	2.014552
"209435"	291.813742666667	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+3H"	3.021828
"647902"	437.216976	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+3H"	3.021828
"1166026"	146.410509333333	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+3H"	3.021828
"429298"	890.453223	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+NH4"	18.033823
"790295"	1326.662923	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+NH4"	18.033823
"1689905"	454.243523	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+NH4"	18.033823
"334902"	445.7302495	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+H+NH4"	19.041099
"728419"	663.8350995	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+H+NH4"	19.041099
"1481510"	227.6253995	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H+NH4"	19.041099
"395451"	895.408618	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+Na"	22.989218
"758997"	1331.618318	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+Na"	22.989218
"1606002"	459.198918	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Na"	22.989218
"316774"	448.207947	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+H+Na"	23.996494
"709920"	666.312797	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+H+Na"	23.996494
"1463376"	230.103097	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H+Na"	23.996494
"1060636"	153.737823333333	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2H+Na"	25.00377
"1261222"	469.243186	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+CH3OH+H"	33.033486
"380893"	911.382558	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+K"	38.963158
"740795"	1347.592258	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+K"	38.963158
"1545035"	475.172858	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+K"	38.963158
"302210"	456.194917	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+H+K"	39.970434
"691958"	674.299767	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+H+K"	39.970434
"1449547"	238.090067	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H+K"	39.970434
"241429"	914.453226	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+ACN+H"	42.033826
"1211225"	478.243526	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+ACN+H"	42.033826
"1198022"	239.625401	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+ACN+2H"	43.041102
"190890"	917.39056	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+2Na-H"	44.97116
"634824"	1353.60026	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+2Na-H"	44.97116
"1138330"	481.18086	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2Na-H"	44.97116
"178340"	459.198918	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+2Na"	45.978436
"621180"	677.303768	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+2Na"	45.978436
"1121408"	241.094068	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2Na"	45.978436
"1403837"	161.065137333333	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H+2Na"	46.985712
"1432674"	483.222446	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H+HCOOH"	47.012746
"231115"	464.23194	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+3H2O+2H"	56.04448
"1516988"	497.27449	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+IsoProp+H"	61.06479
"413405"	467.185888	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+Na+K"	61.952376
"779871"	685.290738	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+Na+K"	61.952376
"1667453"	249.081038	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Na+K"	61.952376
"255063"	936.435168	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+ACN+Na"	64.015768
"1233244"	500.225468	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+ACN+Na"	64.015768
"1717757"	500.248993	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+NH4+HCOOH"	64.039293
"1184206"	168.392451333333	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+3Na"	68.967654
"1659566"	505.204388	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Na+HCOOH"	68.994688
"162054"	949.33844	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+2K-H"	76.91904
"605989"	1385.54814	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+2K-H"	76.91904
"1092689"	513.12874	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2K-H"	76.91904
"142945"	475.172858	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"2M+2K"	77.926316
"581895"	693.277708	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"3M+2K"	77.926316
"1080146"	257.068008	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2K"	77.926316
"1104605"	515.143292	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2K+H"	78.933592
"1336370"	515.230907	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+DMSO+H"	79.021207
"1008427"	519.270076	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2ACN+H"	83.060376
"1532024"	520.263708	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+IsoProp+Na+H"	84.054008
"994095"	260.138676	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+2ACN+2H"	84.067652
"1588963"	521.178328	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+K+HCOOH"	84.968628
"1418633"	551.209838	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+H+CF3COOH"	115.000138
"1152206"	280.651951	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+3ACN+2H"	125.094202
"1703945"	568.236385	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+NH4+CF3COOH"	132.026685
"1645064"	573.19178	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+Na+CF3COOH"	136.98208
"1573061"	589.16572	"C09532"	"Polhovolide"	"C23H32O8"	"436.2097"	"M+K+CF3COOH"	152.95602
"811084"	518.2152	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M"	0
"978055"	499.19681	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-H2O-H"	-19.01839
"67390"	344.469524	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M-3H"	-3.021828
"508042"	517.207924	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M-3H"	-3.021828
"883659"	171.731124	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-3H"	-3.021828
"531"	517.207924	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M-2H"	-2.014552
"440699"	776.315524	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M-2H"	-2.014552
"819596"	258.100324	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-2H"	-2.014552
"80432"	1035.423124	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M-H"	-1.007276
"519507"	1553.638324	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M-H"	-1.007276
"897193"	517.207924	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-H"	-1.007276
"48288"	1052.449671	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M-2H+NH4"	16.019271
"493075"	1570.664871	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M-2H+NH4"	16.019271
"867598"	534.234471	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-2H+NH4"	16.019271
"33553"	1057.405066	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M-2H+Na"	20.974666
"473235"	1575.620266	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M-2H+Na"	20.974666
"859428"	539.189866	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-2H+Na"	20.974666
"1625681"	539.189866	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Na-2H"	20.974666
"97835"	535.196263	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M-H+Cl"	33.962126
"538488"	794.303863	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M-H+Cl"	33.962126
"936379"	276.088663	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-H+Cl"	33.962126
"269102"	1071.399802	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+Cl"	34.969402
"671731"	1589.615002	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+Cl"	34.969402
"1281947"	553.184602	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Cl"	34.969402
"19036"	1073.379006	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M-2H+K"	36.948606
"461877"	1591.594206	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M-2H+K"	36.948606
"833475"	555.163806	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-2H+K"	36.948606
"1559155"	555.163806	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+K-2H"	36.948606
"945216"	563.213394	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-H+HCOOH"	44.998194
"363796"	1081.428601	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+HCOOH-H"	44.998201
"347073"	1095.444251	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+Hac-H"	59.013851
"1494677"	577.229051	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Hac-H"	59.013851
"960762"	585.195351	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-H+NaCOOH"	66.980151
"112236"	553.184602	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+2Cl"	69.938804
"550570"	812.292202	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+2Cl"	69.938804
"1031175"	294.077002	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2Cl"	69.938804
"1247473"	597.134085	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Br"	78.918885
"1313206"	599.190072	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Cl+HCOOH"	80.974872
"1324139"	621.172029	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Cl+NaCOOH"	102.956829
"913010"	631.200786	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M-H+CF3COOH"	112.985586
"1289352"	667.177464	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Cl+CF3COOH"	148.962264
"1367879"	483.202524	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H-2H2O"	-35.012676
"1384284"	501.2125	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H-H2O"	-17.0027
"286157"	1037.437676	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+H"	1.007276
"676389"	1555.652876	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+H"	1.007276
"1353832"	519.222476	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H"	1.007276
"128181"	519.222476	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+2H"	2.014552
"569562"	778.330076	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+2H"	2.014552
"1042739"	260.114876	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2H"	2.014552
"209545"	346.484076	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+3H"	3.021828
"649106"	519.222476	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+3H"	3.021828
"1165043"	173.745676	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+3H"	3.021828
"430502"	1054.464223	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+NH4"	18.033823
"788219"	1572.679423	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+NH4"	18.033823
"1688923"	536.249023	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+NH4"	18.033823
"336105"	527.7357495	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+H+NH4"	19.041099
"728529"	786.8433495	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+H+NH4"	19.041099
"1483442"	268.6281495	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H+NH4"	19.041099
"395925"	1059.419618	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+Na"	22.989218
"759836"	1577.634818	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+Na"	22.989218
"1607204"	541.204418	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Na"	22.989218
"316884"	530.213447	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+H+Na"	23.996494
"710394"	789.321047	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+H+Na"	23.996494
"1465308"	271.105847	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H+Na"	23.996494
"1057465"	181.07299	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2H+Na"	25.00377
"1263519"	551.248686	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+CH3OH+H"	33.033486
"379909"	1075.393558	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+K"	38.963158
"746373"	1593.608758	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+K"	38.963158
"1544052"	557.178358	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+K"	38.963158
"302321"	538.200417	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+H+K"	39.970434
"698024"	797.308017	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+H+K"	39.970434
"1452939"	279.092817	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H+K"	39.970434
"239352"	1078.464226	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+ACN+H"	42.033826
"1213156"	560.249026	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+ACN+H"	42.033826
"1197040"	280.628151	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+ACN+2H"	43.041102
"195377"	1081.40156	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+2Na-H"	44.97116
"633843"	1599.61676	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+2Na-H"	44.97116
"1142813"	563.18636	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2Na-H"	44.97116
"183917"	541.204418	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+2Na"	45.978436
"624206"	800.312018	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+2Na"	45.978436
"1125890"	282.096818	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2Na"	45.978436
"1409414"	188.400304	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H+2Na"	46.985712
"1439344"	565.227946	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H+HCOOH"	47.012746
"233047"	546.23744	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+3H2O+2H"	56.04448
"1523863"	579.27999	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+IsoProp+H"	61.06479
"413514"	549.191388	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+Na+K"	61.952376
"774511"	808.298988	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+Na+K"	61.952376
"1669751"	290.083788	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Na+K"	61.952376
"256268"	1100.446168	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+ACN+Na"	64.015768
"1227883"	582.230968	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+ACN+Na"	64.015768
"1714583"	582.254493	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+NH4+HCOOH"	64.039293
"1181032"	195.727618	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+3Na"	68.967654
"1652017"	587.209888	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Na+HCOOH"	68.994688
"159974"	1113.34944	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+2K-H"	76.91904
"599538"	1631.56464	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+2K-H"	76.91904
"1086237"	595.13424	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2K-H"	76.91904
"144145"	557.178358	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"2M+2K"	77.926316
"582251"	816.285958	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"3M+2K"	77.926316
"1079162"	298.070758	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2K"	77.926316
"1107996"	597.148792	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2K+H"	78.933592
"1338913"	597.236407	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+DMSO+H"	79.021207
"1006833"	601.275576	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2ACN+H"	83.060376
"1533227"	602.269208	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+IsoProp+Na+H"	84.054008
"994205"	301.141426	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+2ACN+2H"	84.067652
"1588708"	603.183828	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+K+HCOOH"	84.968628
"1420930"	633.215338	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+H+CF3COOH"	115.000138
"1152316"	321.654701	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+3ACN+2H"	125.094202
"1704055"	650.241885	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+NH4+CF3COOH"	132.026685
"1638613"	655.19728	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+Na+CF3COOH"	136.98208
"1575359"	671.17122	"C09533"	"Provincialin"	"C27H34O10"	"518.2152"	"M+K+CF3COOH"	152.95602
"810101"	248.1412	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M"	0
"975978"	229.12281	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"64220"	164.420190666667	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"508152"	247.133924	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"880852"	81.7064573333333	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"1250"	247.133924	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"442630"	371.204524	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"819706"	123.063324	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"82244"	495.275124	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"520347"	743.416324	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"896694"	247.133924	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"48398"	512.301671	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"493185"	760.442871	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"867708"	264.160471	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"34514"	517.257066	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"476263"	765.398266	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"859538"	269.115866	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1622511"	269.115866	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"95880"	265.122263	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"535804"	389.192863	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"933209"	141.051663	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"267507"	531.251802	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"668561"	779.393002	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1280964"	283.110602	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"19510"	533.231006	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"460894"	781.372206	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"833954"	285.089806	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1561089"	285.089806	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"944965"	293.139394	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"364639"	541.280601	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"348157"	555.296251	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1494798"	307.155051	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"959181"	315.121351	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"110758"	283.110602	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"550441"	407.181202	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1021549"	159.040002	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1241494"	327.060085	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1313316"	329.116072	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1323156"	351.098029	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"914214"	361.126786	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1290921"	397.103464	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1368353"	213.128524	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1383665"	231.1385	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"284200"	497.289676	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"676621"	745.430876	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1355036"	249.148476	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"126954"	249.148476	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"567850"	373.219076	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1041390"	125.077876	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"207832"	166.434742666667	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"648123"	249.148476	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1166247"	83.7210093333333	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"428425"	514.316223	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"789422"	762.457423	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1687940"	266.175023	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"335124"	257.6617495	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"729368"	381.7323495	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1483556"	133.5911495	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"400410"	519.271618	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"762135"	767.412818	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1609138"	271.130418	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"319179"	260.139447	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"712692"	384.210047	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1467604"	136.068847	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1058669"	91.0483233333333	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1260350"	281.174686	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"379047"	535.245558	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"743202"	783.386758	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1545256"	287.104358	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"302431"	268.126417	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"697041"	392.197017	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1451956"	144.055817	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"238370"	538.316226	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1213266"	290.175026	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1198244"	145.591151	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"196579"	541.25356	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"638328"	789.39476	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1142924"	293.11236	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"186216"	271.130418	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"625410"	395.201018	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1126003"	147.059818	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1410616"	98.3756373333333	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1444560"	295.153946	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"233523"	276.16344	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1522314"	309.20599	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"412530"	279.117388	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"776809"	403.187988	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1675328"	155.046788	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"259659"	560.298168	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1229088"	312.156968	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1716881"	312.180493	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1181143"	105.702951333333	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1653222"	317.135888	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"163364"	573.20144	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"600737"	821.34264	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1090720"	325.06024	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"147536"	287.104358	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"582848"	411.174958	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1069666"	163.033758	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1104826"	327.074792	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1339023"	327.162407	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1006450"	331.201576	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1530057"	332.195208	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"991277"	166.104426	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1588818"	333.109828	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1421040"	363.141338	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1152426"	186.617701	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1704165"	380.167885	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1635443"	385.12328	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1576562"	401.09722	"C09534"	"Pseudoivalin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"811305"	364.1886	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M"	0
"978277"	345.17021	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"66517"	241.785124	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"507172"	363.181324	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"884973"	120.388924	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"2454"	363.181324	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"444199"	545.275624	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"818723"	181.087024	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"81997"	727.369924	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"527025"	1091.558524	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"910300"	363.181324	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"54832"	744.396471	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"498769"	1108.585071	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"878031"	380.207871	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"46260"	749.351866	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"486141"	1113.540466	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"856367"	385.163266	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1622985"	385.163266	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"98055"	381.169663	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"545272"	563.263963	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"934415"	199.075363	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"276252"	763.346602	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"670858"	1127.535202	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1281074"	399.158002	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"19257"	765.325806	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"459179"	1129.514406	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"834428"	401.137206	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1555703"	401.137206	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"945803"	409.186794	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"362928"	773.375401	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"350091"	787.391051	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1496739"	423.202451	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"964281"	431.168751	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"115374"	399.158002	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"551650"	581.252302	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1034309"	217.063702	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1250972"	443.107485	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1313427"	445.163472	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1335535"	467.145429	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"925999"	477.174186	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1301974"	513.150864	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1380136"	329.175924	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1388882"	347.1859	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"292945"	729.384476	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"683179"	1093.573076	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1359527"	365.195876	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"129131"	365.195876	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"570879"	547.290176	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1041138"	183.101576	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"209038"	243.799676	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"647870"	365.195876	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1168547"	122.403476	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"428538"	746.411023	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"792814"	1110.599623	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1685499"	382.222423	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"333049"	373.7091495	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"726564"	555.8034495	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1482574"	191.6148495	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"399064"	751.366418	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"761154"	1115.555018	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1610345"	387.177818	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"323664"	376.186847	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"711711"	558.281147	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1469902"	194.092547	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1059872"	129.73079	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1260463"	397.222086	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"382318"	767.340358	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"747687"	1131.528958	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1545366"	403.151758	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"306918"	384.173817	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"700433"	566.268117	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1454254"	202.079517	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"243951"	770.411026	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1218844"	406.222426	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1202363"	203.614851	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"198150"	773.34836	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"639168"	1137.53696	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1144495"	409.15976	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"185235"	387.177818	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"626253"	569.272118	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1130121"	205.083518	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1409637"	137.058104	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1441753"	411.201346	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"234002"	392.21084	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1522796"	425.25339	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"421026"	395.164788	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"778014"	577.259088	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1672158"	213.070488	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"256489"	792.392968	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1228106"	428.204368	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1715899"	428.227893	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1182346"	144.385418	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1656616"	433.183288	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"164571"	805.29624	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"606319"	1169.48484	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1088645"	441.10764	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"147648"	403.151758	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"582957"	585.246058	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1069657"	221.057458	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1102014"	443.122192	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1339133"	443.209807	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1006562"	447.248976	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1532353"	448.242608	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"991387"	224.128126	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1588928"	449.157228	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1421150"	479.188738	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1153629"	244.641401	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1704275"	496.215285	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1635553"	501.17068	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1576672"	517.14462	"C09535"	"Pycnolide"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"810321"	306.1467	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M"	0
"975105"	287.12831	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"64440"	203.090524	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"505093"	305.139424	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"883990"	101.041624	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"35"	305.139424	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"440663"	458.212774	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"817251"	152.066074	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"78654"	611.286124	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"518548"	917.432824	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"896184"	305.139424	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"47888"	628.312671	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"489031"	934.459371	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"864304"	322.165971	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"31526"	633.268066	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"473202"	939.414766	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"856477"	327.121366	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1630022"	327.121366	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"94886"	323.127763	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"544289"	476.201113	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"934525"	170.054413	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"277456"	647.262802	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"668782"	953.409502	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1280091"	341.116102	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"22648"	649.242006	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"460748"	955.388706	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"834538"	343.095306	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1555588"	343.095306	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"945913"	351.144894	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"363038"	657.291601	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"350201"	671.307251	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1495752"	365.160551	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"964391"	373.126851	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"116577"	341.116102	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"551760"	494.189452	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1034419"	188.042752	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1251082"	385.065585	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1313537"	387.121572	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1333221"	409.103529	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"925989"	419.132286	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1296616"	455.108964	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1370402"	271.134024	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1386806"	289.144	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"284303"	613.300676	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"683288"	919.447376	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1356357"	307.153976	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"127420"	307.153976	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"569895"	460.227326	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1039789"	154.080626	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"209875"	205.105076	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"646887"	307.153976	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1167565"	103.056176	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"426827"	630.327223	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"790008"	936.473923	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1682694"	324.180523	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"330404"	315.6672495	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"724487"	468.7405995	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1480130"	162.5938995	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"395530"	635.282618	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"757984"	941.429318	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1606082"	329.135918	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"317212"	318.144947	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"709634"	471.218297	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1466003"	165.071597	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1053786"	110.38349	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1260573"	339.180186	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"382428"	651.256558	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"745609"	957.403258	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1545476"	345.109858	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"305935"	326.131917	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"699450"	479.205267	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1456916"	173.058567	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"245153"	654.327226	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1217861"	348.180526	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1205754"	174.593901	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"196801"	657.26456	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"638914"	963.41126	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1142419"	351.11786	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"184617"	329.135918	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"625999"	482.209268	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1128411"	176.062568	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1407198"	117.710804	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1441502"	353.159446	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"234356"	334.16894	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1523512"	367.21149	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"420407"	337.122888	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"778124"	490.196238	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1676641"	184.049538	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"255506"	676.309168	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1227853"	370.162468	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1716009"	370.185993	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1182456"	125.038118	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1655631"	375.141388	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"169055"	689.21244	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"606429"	995.35914	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1097503"	383.06574	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"148853"	345.109858	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"582338"	498.183208	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1069885"	192.036508	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1100300"	385.080292	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1335725"	385.167907	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1006190"	389.207076	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1530280"	390.200708	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"998913"	195.107176	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1595601"	391.115328	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1420167"	421.146838	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1159208"	215.620451	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1703292"	438.173385	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1635663"	443.12878	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1576782"	459.10272	"C09536"	"Pyrethrosin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"804963"	248.1412	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M"	0
"978495"	229.12281	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"63820"	164.420190666667	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"505201"	247.133924	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"884100"	81.7064573333333	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"970"	247.133924	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"442232"	371.204524	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"817362"	123.063324	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"81118"	495.275124	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"519462"	743.416324	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"896661"	247.133924	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"48728"	512.301671	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"489141"	760.442871	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"864866"	264.160471	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"32161"	517.257066	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"473313"	765.398266	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"850753"	269.115866	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1630496"	269.115866	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"97545"	265.122263	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"544399"	389.192863	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"936822"	141.051663	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"275379"	531.251802	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"668892"	779.393002	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1280201"	283.110602	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"23851"	533.231006	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"461223"	781.372206	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"838656"	285.089806	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1561050"	285.089806	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"946021"	293.139394	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"363506"	541.280601	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"349218"	555.296251	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1495132"	307.155051	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"961579"	315.121351	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"114860"	283.110602	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"551870"	407.181202	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1035986"	159.040002	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1254836"	327.060085	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1315834"	329.116072	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1330051"	351.098029	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"922205"	361.126786	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1296726"	397.103464	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1367474"	213.128524	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1383757"	231.1385	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"283805"	497.289676	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"683398"	745.430876	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1357560"	249.148476	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"128626"	249.148476	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"567091"	373.219076	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1039169"	125.077876	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"208896"	166.434742666667	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"649549"	249.148476	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1165853"	83.7210093333333	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"425841"	514.316223	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"788296"	762.457423	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1683169"	266.175023	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"331443"	257.6617495	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"724231"	381.7323495	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1480970"	133.5911495	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"395642"	519.271618	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"758455"	767.412818	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1607650"	271.130418	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"318415"	260.139447	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"711932"	384.210047	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1466846"	136.068847	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1053896"	91.0483233333333	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1259588"	281.174686	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"379986"	535.245558	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"741344"	783.386758	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1542306"	287.104358	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"306045"	268.126417	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"699560"	392.197017	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1457026"	144.055817	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"241984"	538.316226	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1217970"	290.175026	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1204041"	145.591151	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"200922"	541.25356	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"639752"	789.39476	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1143623"	293.11236	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"186548"	271.130418	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"627204"	395.201018	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1126700"	147.059818	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1406580"	98.3756373333333	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1444164"	295.153946	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"233857"	276.16344	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1523257"	309.20599	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"423072"	279.117388	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"783703"	403.187988	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1680034"	155.046788	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"263270"	560.298168	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1232701"	312.156968	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1722679"	312.180493	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1188035"	105.702951333333	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1661208"	317.135888	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"166978"	573.20144	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"608361"	821.34264	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1096157"	325.06024	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"147870"	287.104358	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"586340"	411.174958	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1077048"	163.033758	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1105150"	327.074792	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1337039"	327.162407	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1005851"	331.201576	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1531479"	332.195208	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"1000844"	166.104426	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1595711"	333.109828	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1416996"	363.141338	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1160047"	186.617701	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1704495"	380.167885	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1635773"	385.12328	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1575799"	401.09722	"C09537"	"Quadrone"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"805073"	282.1467	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M"	0
"978605"	263.12831	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-H2O-H"	-19.01839
"70127"	187.090524	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M-3H"	-3.021828
"510779"	281.139424	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M-3H"	-3.021828
"887490"	93.041624	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-3H"	-3.021828
"3876"	281.139424	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M-2H"	-2.014552
"443438"	422.212774	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M-2H"	-2.014552
"818565"	140.066074	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-2H"	-2.014552
"82322"	563.286124	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M-H"	-1.007276
"519940"	845.432824	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M-H"	-1.007276
"897135"	281.139424	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-H"	-1.007276
"48598"	580.312671	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M-2H+NH4"	16.019271
"488522"	862.459371	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M-2H+NH4"	16.019271
"864616"	298.165971	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-2H+NH4"	16.019271
"32273"	585.268066	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M-2H+Na"	20.974666
"472565"	867.414766	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M-2H+Na"	20.974666
"851957"	303.121366	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-2H+Na"	20.974666
"1630606"	303.121366	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Na-2H"	20.974666
"98019"	299.127763	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M-H+Cl"	33.962126
"543416"	440.201113	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M-H+Cl"	33.962126
"934745"	158.054413	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-H+Cl"	33.962126
"277677"	599.262802	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+Cl"	34.969402
"670095"	881.409502	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+Cl"	34.969402
"1279218"	317.116102	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Cl"	34.969402
"22868"	601.242006	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M-2H+K"	36.948606
"461333"	883.388706	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M-2H+K"	36.948606
"837673"	319.095306	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-2H+K"	36.948606
"1562255"	319.095306	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+K-2H"	36.948606
"946132"	327.144894	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-H+HCOOH"	44.998194
"364712"	609.291601	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+HCOOH-H"	44.998201
"352609"	623.307251	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+Hac-H"	59.013851
"1500346"	341.160551	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Hac-H"	59.013851
"966794"	349.126851	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-H+NaCOOH"	66.980151
"116794"	317.116102	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+2Cl"	69.938804
"551494"	458.189452	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+2Cl"	69.938804
"1029535"	176.042752	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2Cl"	69.938804
"1255674"	361.065585	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Br"	78.918885
"1314851"	363.121572	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Cl+HCOOH"	80.974872
"1327975"	385.103529	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Cl+NaCOOH"	102.956829
"923408"	395.132286	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M-H+CF3COOH"	112.985586
"1296836"	431.108964	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Cl+CF3COOH"	148.962264
"1367823"	247.134024	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H-2H2O"	-35.012676
"1384839"	265.144	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H-H2O"	-17.0027
"283102"	565.300676	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+H"	1.007276
"678039"	847.447376	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+H"	1.007276
"1353662"	283.153976	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H"	1.007276
"126062"	283.153976	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+2H"	2.014552
"567563"	424.227326	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+2H"	2.014552
"1040371"	142.080626	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2H"	2.014552
"209365"	189.105076	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+3H"	3.021828
"648926"	283.153976	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+3H"	3.021828
"1167418"	95.056176	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+3H"	3.021828
"428867"	582.327223	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+NH4"	18.033823
"790226"	864.473923	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+NH4"	18.033823
"1683036"	300.180523	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+NH4"	18.033823
"330947"	291.6672495	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+H+NH4"	19.041099
"725800"	432.7405995	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+H+NH4"	19.041099
"1481078"	150.5938995	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H+NH4"	19.041099
"396844"	587.282618	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+Na"	22.989218
"759295"	869.429318	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+Na"	22.989218
"1607396"	305.135918	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Na"	22.989218
"320713"	294.144947	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+H+Na"	23.996494
"711675"	435.218297	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+H+Na"	23.996494
"1464769"	153.071597	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H+Na"	23.996494
"1054006"	102.38349	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2H+Na"	25.00377
"1257303"	315.180186	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+CH3OH+H"	33.033486
"378516"	603.256558	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+K"	38.963158
"739510"	885.403258	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+K"	38.963158
"1542416"	321.109858	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+K"	38.963158
"306155"	302.131917	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+H+K"	39.970434
"699670"	443.205267	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+H+K"	39.970434
"1457864"	161.058567	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H+K"	39.970434
"246468"	606.327226	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+ACN+H"	42.033826
"1221362"	324.180526	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+ACN+H"	42.033826
"1208165"	162.593901	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+ACN+2H"	43.041102
"202980"	609.26456	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+2Na-H"	44.97116
"641686"	891.41126	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+2Na-H"	44.97116
"1145191"	327.11786	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2Na-H"	44.97116
"187514"	305.135918	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+2Na"	45.978436
"627074"	446.209268	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+2Na"	45.978436
"1128269"	164.062568	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2Na"	45.978436
"1412767"	109.710804	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H+2Na"	46.985712
"1445520"	329.159446	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H+HCOOH"	47.012746
"234697"	310.16894	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+3H2O+2H"	56.04448
"1524097"	343.21149	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+IsoProp+H"	61.06479
"422819"	313.122888	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+Na+K"	61.952376
"784179"	454.196238	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+Na+K"	61.952376
"1679780"	172.049538	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Na+K"	61.952376
"264475"	628.309168	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+ACN+Na"	64.015768
"1240101"	346.162468	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+ACN+Na"	64.015768
"1727165"	346.185993	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+NH4+HCOOH"	64.039293
"1192158"	117.038118	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+3Na"	68.967654
"1664476"	351.141388	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Na+HCOOH"	68.994688
"170369"	641.21244	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+2K-H"	76.91904
"609932"	923.35914	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+2K-H"	76.91904
"1095541"	359.06574	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2K-H"	76.91904
"152354"	321.109858	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"2M+2K"	77.926316
"591915"	462.183208	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"3M+2K"	77.926316
"1079707"	180.036508	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2K"	77.926316
"1105262"	361.080292	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2K+H"	78.933592
"1336666"	361.167907	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+DMSO+H"	79.021207
"1007989"	365.207076	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2ACN+H"	83.060376
"1525633"	366.200708	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+IsoProp+Na+H"	84.054008
"998038"	183.107176	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+2ACN+2H"	84.067652
"1589259"	367.115328	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+K+HCOOH"	84.968628
"1414917"	397.146838	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+H+CF3COOH"	115.000138
"1155052"	203.620451	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+3ACN+2H"	125.094202
"1702418"	414.173385	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+NH4+CF3COOH"	132.026685
"1635883"	419.12878	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+Na+CF3COOH"	136.98208
"1575909"	435.10272	"C09538"	"Qing Hau Sau;Artemisinin"	"C15H22O5"	"282.1467"	"M+K+CF3COOH"	152.95602
"805183"	348.1573	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M"	0
"981995"	329.13891	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"73517"	231.097590666667	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"508702"	347.150024	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"891974"	115.045157333333	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"3987"	347.150024	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"449015"	521.228674	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"822442"	173.071374	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"81703"	695.307324	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"521995"	1043.464624	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"900893"	347.150024	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"51988"	712.333871	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"490455"	1060.491171	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"867162"	364.176571	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"35063"	717.289266	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"475717"	1065.446566	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"856806"	369.131966	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1625245"	369.131966	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"99224"	365.138363	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"544619"	539.217013	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"938135"	191.059713	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"281067"	731.284002	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"672028"	1079.441302	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1281514"	383.126702	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"25164"	733.263206	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"465817"	1081.420506	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"838152"	385.105906	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1566010"	385.105906	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"947337"	393.155494	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"366644"	741.312801	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"352713"	755.328451	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1500456"	407.171151	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"966540"	415.137451	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"120185"	383.126702	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"551122"	557.205352	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1032925"	209.048052	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1254327"	427.076185	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1312775"	429.132172	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1330273"	451.114129	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"922425"	461.142886	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1296946"	497.119564	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1367242"	313.144624	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1386043"	331.1546	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"283660"	697.321876	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"677178"	1045.479176	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1357053"	349.164576	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"128114"	349.164576	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"572409"	523.243226	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1041211"	175.085926	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"207290"	233.112142666667	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"648673"	349.164576	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1170080"	117.059709333333	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"430073"	714.348423	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"791431"	1062.505723	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1685577"	366.191123	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"332396"	357.6778495	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"726641"	531.7564995	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1481553"	183.5991995	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"398045"	719.303818	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"759406"	1067.461118	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1608599"	371.146518	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"317542"	360.155547	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"714335"	534.234197	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1468155"	186.076897	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1054481"	124.387023333333	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1257741"	381.190786	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"380572"	735.277758	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"739742"	1083.435058	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1543619"	387.120458	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"305170"	368.142517	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"703060"	542.221167	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1458705"	194.063867	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"248399"	738.348426	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1224632"	390.191126	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1207908"	195.599201	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"201872"	741.28576	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"641068"	1089.44306	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1145792"	393.12846	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"188113"	371.146518	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"628282"	545.225168	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1128379"	197.067868	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1412269"	131.714337333333	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1445244"	395.170046	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"235376"	376.17954	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1523931"	409.22209	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"424028"	379.133488	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"784776"	553.212138	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1678796"	205.054838	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"266043"	760.330368	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1240210"	412.173068	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1727764"	412.196593	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1192880"	139.041651333333	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1664713"	417.151988	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"171570"	773.23364	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"612108"	1121.39094	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1095647"	425.07634	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"153923"	387.120458	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"592391"	561.199108	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1077630"	213.041808	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1107559"	427.090892	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1339567"	427.178507	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1009191"	431.217676	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1525864"	432.211308	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"998148"	216.112476	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1589733"	433.125928	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1415028"	463.157438	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1152976"	236.625751	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1703622"	480.183985	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1635993"	485.13938	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1576019"	501.11332	"C09539"	"Radiatin"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"808573"	264.1362	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M"	0
"978825"	245.11781	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"70347"	175.083524	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"508812"	263.128924	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"889897"	87.038124	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"1910"	263.128924	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"440616"	395.197024	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"821459"	131.060824	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"79260"	527.265124	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"520521"	791.401324	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"903190"	263.128924	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"52098"	544.291671	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"491658"	808.427871	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"868365"	280.155471	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"37360"	549.247066	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"475827"	813.383266	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"856916"	285.110866	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1624260"	285.110866	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"98968"	281.117263	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"544729"	413.185363	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"938245"	149.049163	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"281176"	563.241802	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"672502"	827.378002	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1281624"	299.105602	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"25274"	565.221006	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"465927"	829.357206	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"839355"	301.084806	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1565028"	301.084806	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"948539"	309.134394	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"368941"	573.270601	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"352823"	587.286251	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1502749"	323.150051	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"967743"	331.116351	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"120659"	299.105602	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"553297"	431.173702	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1022095"	167.037502	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1254801"	343.055085	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1312885"	345.111072	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1328197"	367.093029	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"921442"	377.121786	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1294870"	413.098464	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1367194"	229.123524	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1386153"	247.1335	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"283527"	529.279676	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"675680"	793.415876	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1356799"	265.143476	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"127859"	265.143476	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"569606"	397.211576	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1040593"	133.075376	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"208130"	177.098076	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"649876"	265.143476	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1169095"	89.052676	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"430546"	546.306223	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"790811"	810.442423	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1686417"	282.170023	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"332140"	273.6567495	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"726748"	405.7248495	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1480204"	141.5886495	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"398519"	551.261618	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"759517"	815.397818	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1611986"	287.125418	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"316194"	276.134447	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"712260"	408.202547	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1468266"	144.066347	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1053498"	96.37999	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1257483"	297.169686	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"378859"	567.235558	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"739486"	831.371758	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1551385"	303.099358	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"309655"	284.121417	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"699890"	416.189517	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1456993"	152.053317	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"248510"	570.306226	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1224499"	306.170026	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1207654"	153.588651	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"202711"	573.24356	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"641178"	837.37976	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1146145"	309.10736	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"187983"	287.125418	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"627538"	419.193518	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1131254"	155.057318	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1412379"	103.707304	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1445434"	311.148946	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"235407"	292.15844	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1522860"	325.20099	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"424095"	295.112388	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"785498"	427.180488	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1680122"	163.044288	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"266276"	592.288168	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1240569"	328.151968	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1727389"	328.175493	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1194180"	111.034618	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1664824"	333.130888	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"170953"	605.19144	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"612339"	869.32764	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1095393"	341.05524	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"151848"	303.099358	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"590679"	435.167458	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1076648"	171.031258	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1108762"	343.069792	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1337491"	343.157407	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1016956"	347.196576	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1527433"	348.190208	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"997165"	174.101926	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1589479"	349.104828	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1415503"	379.136338	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1151993"	194.615201	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1702639"	396.162885	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1638290"	401.11828	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1575036"	417.09222	"C09540"	"Ridentin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"808683"	327.1471	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M"	0
"978935"	308.12871	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"70457"	217.090790666667	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"508922"	326.139824	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"892194"	108.041757333333	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"927"	326.139824	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"440727"	489.713374	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"822662"	162.566274	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"84837"	653.286924	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"522211"	980.434024	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"906580"	326.139824	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"54395"	670.313471	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"490676"	997.460571	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"870664"	343.166371	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"37470"	675.268866	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"479218"	1002.415966	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"853743"	348.121766	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1627649"	348.121766	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"97982"	344.128163	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"539370"	507.701713	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"937989"	180.554613	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"271441"	689.263602	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"662768"	1016.410702	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1278447"	362.116502	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"18451"	691.242806	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"457650"	1018.389906	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"837274"	364.095706	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1564043"	364.095706	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"950833"	372.145294	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"369049"	699.292401	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"348559"	713.308051	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1496297"	386.160951	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"964937"	394.127251	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"111292"	362.116502	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"552314"	525.690052	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1021798"	198.542952	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1253453"	406.065985	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1311902"	408.121972	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1323928"	430.103929	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"923739"	440.132686	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1299355"	476.109364	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1373505"	292.134424	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1389908"	310.1444	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"290323"	655.301476	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"675979"	982.448576	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1356909"	328.154376	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"129069"	328.154376	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"567532"	491.727926	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1039973"	164.580826	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"206781"	219.105342666667	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"650351"	328.154376	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1172487"	110.056309333333	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"434665"	672.328023	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"792015"	999.475123	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1687255"	345.180923	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"333712"	336.6676495	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"728681"	500.2411995	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1480678"	173.0940995	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"398994"	677.283418	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"758896"	1004.430518	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1608817"	350.136318	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"318855"	339.145347	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"712372"	502.718897	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1466194"	175.571797	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1056159"	117.383623333333	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1257836"	360.180586	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"377149"	693.257358	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"739598"	1020.404458	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1542019"	366.110258	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"304298"	347.132317	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"700000"	510.705867	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1449448"	183.558767	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"243516"	696.328026	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1223759"	369.180926	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1204483"	185.094101	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"201364"	699.26536	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"639828"	1026.41246	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1145526"	372.11826	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"187967"	350.136318	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"624730"	513.709868	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1131163"	186.562768	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1413713"	124.710937333333	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1445425"	374.159846	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"235273"	355.16934	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1523093"	388.21189	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"423517"	358.123288	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"784632"	521.696838	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1680111"	194.549738	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"266268"	718.309968	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1239343"	391.162868	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1727624"	391.186393	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1193832"	132.038251333333	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1664571"	396.141788	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"169607"	731.21324	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"610993"	1058.36034	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1097692"	404.06614	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"155481"	366.110258	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"592611"	529.683808	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1080040"	202.536708	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1110699"	406.080692	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1341976"	406.168307	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1013787"	410.207476	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1526445"	411.201108	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"998368"	205.607376	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1590682"	412.115728	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1420717"	442.147238	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1147727"	226.120651	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1699101"	459.173785	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1639493"	464.12918	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1575146"	480.10312	"C09541"	"(S)-Isoboldine;()-Isoboldine;Isoboldine;210-Dimethoxy-6aalpha-aporphine-19-diol"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"805513"	264.1362	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M"	0
"979045"	245.11781	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"66193"	175.083524	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"509032"	263.128924	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"892304"	87.038124	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"1037"	263.128924	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"443874"	395.197024	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"822772"	131.060824	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"83855"	527.265124	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"523414"	791.401324	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"897574"	263.128924	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"51218"	544.291671	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"495159"	808.427871	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"866398"	280.155471	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"35392"	549.247066	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"476046"	813.383266	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"851666"	285.110866	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1623385"	285.110866	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"97728"	281.117263	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"540572"	413.185363	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"938463"	149.049163	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"272644"	563.241802	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"661786"	827.378002	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1274912"	299.105602	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"18197"	565.221006	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"457759"	829.357206	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"839572"	301.084806	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1564153"	301.084806	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"944747"	309.134394	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"362963"	573.270601	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"355233"	587.286251	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1498596"	323.150051	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"963954"	331.116351	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"111768"	299.105602	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"551331"	431.173702	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1021950"	167.037502	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1252834"	343.055085	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1314198"	345.111072	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1322945"	367.093029	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"920569"	377.121786	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1300558"	413.098464	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1373251"	229.123524	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1386738"	247.1335	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"287517"	529.279676	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"677384"	793.415876	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1357019"	265.143476	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"128815"	265.143476	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"569096"	397.211576	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1041175"	133.075376	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"207986"	177.098076	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"651920"	265.143476	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1172597"	89.052676	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"433683"	546.306223	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"794677"	810.442423	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1684448"	282.170023	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"331998"	273.6567495	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"726970"	405.7248495	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1482249"	141.5886495	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"398012"	551.261618	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"758643"	815.397818	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1607834"	287.125418	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"320060"	276.134447	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"711389"	408.202547	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1464118"	144.066347	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1053842"	96.37999	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1258312"	297.169686	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"377539"	567.235558	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"742621"	831.371758	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1541399"	303.099358	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"308781"	284.121417	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"696830"	416.189517	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1455022"	152.053317	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"247634"	570.306226	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1222531"	306.170026	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1206781"	153.588651	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"201474"	573.24356	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"643345"	837.37976	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1145763"	309.10736	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"187355"	287.125418	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"627764"	419.193518	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1130663"	155.057318	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1412850"	103.707304	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1445088"	311.148946	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"234656"	292.15844	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1523325"	325.20099	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"424113"	295.112388	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"784622"	427.180488	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1680221"	163.044288	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"266744"	592.288168	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1240181"	328.151968	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1727370"	328.175493	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1193986"	111.034618	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1664442"	333.130888	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"169717"	605.19144	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"611832"	869.32764	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1099622"	341.05524	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"155349"	303.099358	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"593814"	435.167458	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1081973"	171.031258	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1112994"	343.069792	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1343181"	343.157407	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1013897"	347.196576	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1528741"	348.190208	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"999571"	174.101926	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1589699"	349.104828	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1424110"	379.136338	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1148929"	194.615201	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1698118"	396.162885	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1634617"	401.11828	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1575256"	417.09222	"C09542"	"Salonitenolide"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"805623"	594.273	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M"	0
"979155"	575.25461	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-H2O-H"	-19.01839
"66303"	395.174724	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M-3H"	-3.021828
"510235"	593.265724	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M-3H"	-3.021828
"892414"	197.083724	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-3H"	-3.021828
"2240"	593.265724	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M-2H"	-2.014552
"442893"	890.402224	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M-2H"	-2.014552
"822882"	296.129224	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-2H"	-2.014552
"82143"	1187.538724	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M-H"	-1.007276
"524618"	1781.811724	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M-H"	-1.007276
"900236"	593.265724	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-H"	-1.007276
"51329"	1204.565271	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M-2H+NH4"	16.019271
"489802"	1798.838271	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M-2H+NH4"	16.019271
"867601"	610.292271	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-2H+NH4"	16.019271
"38781"	1209.520666	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M-2H+Na"	20.974666
"475062"	1803.793666	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M-2H+Na"	20.974666
"850923"	615.247666	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-2H+Na"	20.974666
"1621308"	615.247666	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Na-2H"	20.974666
"96015"	611.254063	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M-H+Cl"	33.962126
"539224"	908.390563	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M-H+Cl"	33.962126
"940759"	314.117563	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-H+Cl"	33.962126
"272754"	1223.515402	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+Cl"	34.969402
"662989"	1817.788402	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+Cl"	34.969402
"1276115"	629.242402	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Cl"	34.969402
"18672"	1225.494606	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M-2H+K"	36.948606
"457872"	1819.767606	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M-2H+K"	36.948606
"836402"	631.221606	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-2H+K"	36.948606
"1560254"	631.221606	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+K-2H"	36.948606
"947773"	639.271194	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-H+HCOOH"	44.998194
"365990"	1233.544201	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+HCOOH-H"	44.998201
"354249"	1247.559851	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+Hac-H"	59.013851
"1497612"	653.286851	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Hac-H"	59.013851
"961876"	661.253151	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-H+NaCOOH"	66.980151
"113332"	629.242402	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+2Cl"	69.938804
"551437"	926.378902	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+2Cl"	69.938804
"1022658"	332.105902	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2Cl"	69.938804
"1242726"	673.191885	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Br"	78.918885
"1308839"	675.247872	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Cl+HCOOH"	80.974872
"1321962"	697.229829	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Cl+NaCOOH"	102.956829
"920679"	707.258586	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M-H+CF3COOH"	112.985586
"1296293"	743.235264	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Cl+CF3COOH"	148.962264
"1368257"	559.260324	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H-2H2O"	-35.012676
"1383568"	577.2703	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H-H2O"	-17.0027
"285076"	1189.553276	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+H"	1.007276
"676035"	1783.826276	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+H"	1.007276
"1354212"	595.280276	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H"	1.007276
"129289"	595.280276	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+2H"	2.014552
"566777"	892.416776	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+2H"	2.014552
"1039465"	298.143776	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2H"	2.014552
"206273"	397.189276	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+3H"	3.021828
"649114"	595.280276	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+3H"	3.021828
"1171614"	199.098276	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+3H"	3.021828
"433065"	1206.579823	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+NH4"	18.033823
"794787"	1800.852823	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+NH4"	18.033823
"1684558"	612.306823	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+NH4"	18.033823
"331015"	603.7935495	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+H+NH4"	19.041099
"727081"	900.9300495	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+H+NH4"	19.041099
"1482359"	306.6570495	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H+NH4"	19.041099
"396664"	1211.535218	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+Na"	22.989218
"760939"	1805.808218	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+Na"	22.989218
"1607944"	617.262218	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Na"	22.989218
"319075"	606.271247	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+H+Na"	23.996494
"710406"	903.407747	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+H+Na"	23.996494
"1464226"	309.134747	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H+Na"	23.996494
"1054924"	206.42559	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2H+Na"	25.00377
"1259517"	627.306486	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+CH3OH+H"	33.033486
"378094"	1227.509158	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+K"	38.963158
"742003"	1821.782158	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+K"	38.963158
"1542238"	633.236158	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+K"	38.963158
"309985"	614.258217	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+H+K"	39.970434
"695846"	911.394717	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+H+K"	39.970434
"1455132"	317.121717	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H+K"	39.970434
"247015"	1230.579826	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+ACN+H"	42.033826
"1217539"	636.306826	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+ACN+H"	42.033826
"1202515"	318.657051	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+ACN+2H"	43.041102
"199760"	1233.51716	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+2Na-H"	44.97116
"638957"	1827.79016	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+2Na-H"	44.97116
"1145988"	639.24416	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2Na-H"	44.97116
"186848"	617.262218	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+2Na"	45.978436
"627261"	914.398718	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+2Na"	45.978436
"1130280"	320.125718	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2Na"	45.978436
"1413080"	213.752904	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H+2Na"	46.985712
"1445199"	641.285746	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H+HCOOH"	47.012746
"233427"	622.29524	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+3H2O+2H"	56.04448
"1522219"	655.33779	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+IsoProp+H"	61.06479
"422884"	625.249188	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+Na+K"	61.952376
"785214"	922.385688	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+Na+K"	61.952376
"1680694"	328.112688	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Na+K"	61.952376
"266489"	1252.561768	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+ACN+Na"	64.015768
"1240748"	658.288768	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+ACN+Na"	64.015768
"1727721"	658.312293	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+NH4+HCOOH"	64.039293
"1193812"	221.080218	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+3Na"	68.967654
"1664063"	663.267688	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Na+HCOOH"	68.994688
"169463"	1265.46504	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+2K-H"	76.91904
"610849"	1859.73804	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+2K-H"	76.91904
"1097545"	671.19204	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2K-H"	76.91904
"154000"	633.236158	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"2M+2K"	77.926316
"594291"	930.372658	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"3M+2K"	77.926316
"1083420"	336.099658	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2K"	77.926316
"1112739"	673.206592	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2K+H"	78.933592
"1342196"	673.294207	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+DMSO+H"	79.021207
"1010725"	677.333376	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2ACN+H"	83.060376
"1526665"	678.327008	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+IsoProp+Na+H"	84.054008
"993116"	339.170326	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+2ACN+2H"	84.067652
"1588711"	679.241628	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+K+HCOOH"	84.968628
"1424220"	709.273138	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+H+CF3COOH"	115.000138
"1151230"	359.683601	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+3ACN+2H"	125.094202
"1701875"	726.299685	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+NH4+CF3COOH"	132.026685
"1635337"	731.25508	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+Na+CF3COOH"	136.98208
"1573178"	747.22902	"C09543"	"Isochondrodendrine"	"C36H38N2O6"	"594.273"	"M+K+CF3COOH"	152.95602
"805733"	248.1412	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M"	0
"979265"	229.12281	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"68600"	164.420190666667	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"509252"	247.133924	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"892524"	81.7064573333333	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"4537"	247.133924	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"443003"	371.204524	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"825179"	123.063324	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"81889"	495.275124	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"523635"	743.416324	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"899253"	247.133924	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"51440"	512.301671	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"491004"	760.442871	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"867710"	264.160471	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"36705"	517.257066	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"475172"	765.398266	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"849046"	269.115866	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1621418"	269.115866	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"95761"	265.122263	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"539334"	389.192863	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"940869"	141.051663	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"272864"	531.251802	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"663099"	779.393002	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1275497"	283.110602	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"18782"	533.231006	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"457010"	781.372206	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"834327"	285.089806	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1557085"	285.089806	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"947884"	293.139394	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"367193"	541.280601	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"354359"	555.296251	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1498817"	307.155051	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"967454"	315.121351	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"113078"	283.110602	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"551547"	407.181202	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1022403"	159.040002	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1242836"	327.060085	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1312225"	329.116072	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1323163"	351.098029	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"915316"	361.126786	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1294212"	397.103464	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1373465"	213.128524	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1387682"	231.1385	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"287733"	497.289676	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"683069"	745.430876	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1356504"	249.148476	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"127206"	249.148476	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"566399"	373.219076	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1039572"	125.077876	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"208932"	166.434742666667	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"644847"	249.148476	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1165889"	83.7210093333333	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"428433"	514.316223	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"794898"	762.457423	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1685395"	266.175023	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"334405"	257.6617495	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"729741"	381.7323495	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1484654"	133.5911495	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"397868"	519.271618	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"761048"	767.412818	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1609148"	271.130418	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"318089"	260.139447	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"710513"	384.210047	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1468709"	136.068847	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1055031"	91.0483233333333	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1257558"	281.174686	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"377427"	535.245558	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"740290"	783.386758	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1541983"	287.104358	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"302075"	268.126417	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"697049"	392.197017	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1454149"	144.055817	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"244940"	538.316226	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1219835"	290.175026	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1202627"	145.591151	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"199507"	541.25356	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"641620"	789.39476	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1143667"	293.11236	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"180762"	271.130418	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"619227"	395.201018	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1130022"	147.059818	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1413182"	98.3756373333333	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1445298"	295.153946	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"231713"	276.16344	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1521965"	309.20599	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"424085"	279.117388	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"785324"	403.187988	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1678615"	155.046788	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"266594"	560.298168	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1240895"	312.156968	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1727713"	312.180493	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1193183"	105.702951333333	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1664780"	317.135888	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"169573"	573.20144	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"610227"	821.34264	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1098385"	325.06024	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"155203"	287.104358	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"594036"	411.174958	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1082193"	163.033758	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1111027"	327.074792	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1340119"	327.162407	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1010836"	331.201576	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1527868"	332.195208	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"991030"	166.104426	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1587970"	333.109828	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1424330"	363.141338	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1152433"	186.617701	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1700892"	380.167885	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1634719"	385.12328	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1573288"	401.09722	"C09544"	"Santamarin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"809123"	246.1256	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M"	0
"979375"	227.10721	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"66523"	163.076457333333	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"510455"	245.118324	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"890447"	81.0345906666667	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"5740"	245.118324	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"443477"	368.181124	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"823102"	122.055524	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"86371"	491.243924	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"524475"	737.369524	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"901913"	245.118324	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"52643"	508.270471	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"490022"	754.396071	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"870008"	262.144871	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"34629"	513.225866	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"479657"	759.351466	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"851995"	267.100266	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1628089"	267.100266	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"96601"	263.106663	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"539079"	386.169463	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"939886"	140.043863	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"271151"	527.220602	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"664301"	773.346202	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1274513"	281.095002	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"22539"	529.199806	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"458092"	775.325406	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"836623"	283.074206	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1559018"	283.074206	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"947994"	291.123794	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"368396"	537.249401	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"354469"	551.265051	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1496740"	305.139451	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"967564"	313.105751	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"118657"	281.095002	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"553843"	404.157802	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1023005"	158.032202	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1243314"	325.044485	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1307232"	327.100472	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1323272"	349.082429	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"915424"	359.111186	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1297601"	395.087864	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1376855"	211.112924	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1394352"	229.1229	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"290759"	493.258476	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"684272"	739.384076	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1363903"	247.132876	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"130236"	247.132876	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"568335"	370.195676	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1041508"	124.070076	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"211958"	165.091009333333	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"649699"	247.132876	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1167822"	83.0491426666667	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"434011"	510.285023	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"798287"	756.410623	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1688057"	264.159423	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"337430"	255.6461495	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"733132"	378.7089495	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1484767"	132.5833495	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"401261"	515.240418	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"763345"	761.366018	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1611444"	269.114818	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"322573"	258.123847	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"714998"	381.186647	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1468819"	135.061047	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1056964"	90.3764566666667	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1259737"	279.159086	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"382322"	531.214358	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"744412"	777.339958	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1546468"	285.088758	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"308019"	266.110817	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"700438"	389.173617	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1455352"	143.048017	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"247237"	534.285026	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1224808"	288.159426	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1204923"	144.583351	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"201075"	537.22236	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"641365"	783.34796	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1145965"	291.09676	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"186338"	269.114818	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"626263"	392.177618	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1130132"	146.052018	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1409644"	97.7037706666667	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1444312"	293.138346	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"233645"	274.14784	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1520613"	307.19039	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"424120"	277.101788	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"785191"	400.164588	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1680791"	154.038988	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"266826"	556.266968	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1241205"	310.141368	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1728064"	310.164893	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1192929"	105.031084666667	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1663915"	315.120288	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"170777"	569.17024	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"611066"	815.29584	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1095578"	323.04464	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"153853"	285.088758	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"595484"	408.151558	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1082669"	162.025958	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1112961"	325.059192	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1338042"	325.146807	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1010946"	329.185976	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1525913"	330.179608	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"990898"	165.096626	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1588201"	331.094228	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1422252"	361.125738	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1151450"	185.609901	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1701002"	378.152285	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1635558"	383.10768	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1573398"	399.08162	"C09545"	"beta-Santonin"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"805953"	285.1729	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M"	0
"976205"	266.15451	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-H2O-H"	-19.01839
"65539"	189.107990666667	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M-3H"	-3.021828
"507285"	284.165624	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M-3H"	-3.021828
"880350"	94.0503573333333	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-3H"	-3.021828
"2569"	284.165624	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M-2H"	-2.014552
"444315"	426.752074	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M-2H"	-2.014552
"825398"	141.579174	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-2H"	-2.014552
"82110"	569.338524	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M-H"	-1.007276
"522763"	854.511424	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M-H"	-1.007276
"898378"	284.165624	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-H"	-1.007276
"51658"	586.365071	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M-2H+NH4"	16.019271
"490130"	871.537971	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M-2H+NH4"	16.019271
"864606"	301.192171	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-2H+NH4"	16.019271
"31980"	591.320466	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M-2H+Na"	20.974666
"471619"	876.493366	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M-2H+Na"	20.974666
"849187"	306.147566	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-2H+Na"	20.974666
"1619451"	306.147566	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Na-2H"	20.974666
"94442"	302.153963	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M-H+Cl"	33.962126
"535301"	444.740413	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M-H+Cl"	33.962126
"935622"	159.567513	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-H+Cl"	33.962126
"267373"	605.315202	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+Cl"	34.969402
"661132"	890.488102	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+Cl"	34.969402
"1273530"	320.142302	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Cl"	34.969402
"18639"	607.294406	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M-2H+K"	36.948606
"456745"	892.467306	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M-2H+K"	36.948606
"834548"	322.121506	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-2H+K"	36.948606
"1558034"	322.121506	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+K-2H"	36.948606
"945917"	330.171094	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-H+HCOOH"	44.998194
"366319"	615.344001	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+HCOOH-H"	44.998201
"351299"	629.359651	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+Hac-H"	59.013851
"1499037"	344.186751	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Hac-H"	59.013851
"965487"	352.153051	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-H+NaCOOH"	66.980151
"115487"	320.142302	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+2Cl"	69.938804
"552860"	462.728752	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+2Cl"	69.938804
"1022749"	177.555852	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2Cl"	69.938804
"1244152"	364.091785	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Br"	78.918885
"1306978"	366.147772	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Cl+HCOOH"	80.974872
"1320586"	388.129729	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Cl+NaCOOH"	102.956829
"917720"	398.158486	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M-H+CF3COOH"	112.985586
"1295521"	434.135164	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Cl+CF3COOH"	148.962264
"1371498"	250.160224	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H-2H2O"	-35.012676
"1387902"	268.1702	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H-H2O"	-17.0027
"287587"	571.353076	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+H"	1.007276
"681102"	856.525976	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+H"	1.007276
"1354173"	286.180176	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H"	1.007276
"128158"	286.180176	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+2H"	2.014552
"567352"	428.766626	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+2H"	2.014552
"1041617"	143.593726	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2H"	2.014552
"213163"	191.122542666667	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+3H"	3.021828
"650538"	286.180176	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+3H"	3.021828
"1167932"	96.0649093333333	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+3H"	3.021828
"435215"	588.379623	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+NH4"	18.033823
"797303"	873.552523	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+NH4"	18.033823
"1688167"	303.206723	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+NH4"	18.033823
"338634"	294.6934495	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+H+NH4"	19.041099
"732148"	437.2798995	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+H+NH4"	19.041099
"1485969"	152.1069995	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H+NH4"	19.041099
"401371"	593.335018	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+Na"	22.989218
"760175"	878.507918	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+Na"	22.989218
"1609369"	308.162118	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Na"	22.989218
"322683"	297.171147	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+H+Na"	23.996494
"715108"	439.757597	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+H+Na"	23.996494
"1466741"	154.584697	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H+Na"	23.996494
"1055617"	103.392223333333	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2H+Na"	25.00377
"1260577"	318.206386	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+CH3OH+H"	33.033486
"379153"	609.308958	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+K"	38.963158
"744522"	894.481858	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+K"	38.963158
"1547672"	324.136058	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+K"	38.963158
"307036"	305.158117	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+H+K"	39.970434
"700550"	447.744567	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+H+K"	39.970434
"1454370"	162.571667	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H+K"	39.970434
"247347"	612.379626	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+ACN+H"	42.033826
"1221878"	327.206726	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+ACN+H"	42.033826
"1203939"	164.107001	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+ACN+2H"	43.041102
"201914"	615.31696	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+2Na-H"	44.97116
"642569"	900.48986	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+2Na-H"	44.97116
"1145346"	330.14406	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2Na-H"	44.97116
"188151"	308.162118	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+2Na"	45.978436
"623457"	450.748568	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+2Na"	45.978436
"1130241"	165.575668	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2Na"	45.978436
"1408661"	110.719537333333	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H+2Na"	46.985712
"1436403"	332.185646	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H+HCOOH"	47.012746
"229380"	313.19514	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+3H2O+2H"	56.04448
"1515255"	346.23769	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+IsoProp+H"	61.06479
"424107"	316.149088	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+Na+K"	61.952376
"785585"	458.735538	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+Na+K"	61.952376
"1680296"	173.562638	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Na+K"	61.952376
"266777"	634.361568	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+ACN+Na"	64.015768
"1237702"	349.188668	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+ACN+Na"	64.015768
"1728345"	349.212193	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+NH4+HCOOH"	64.039293
"1191944"	118.046851333333	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+3Na"	68.967654
"1662931"	354.167588	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Na+HCOOH"	68.994688
"170523"	647.26484	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+2K-H"	76.91904
"610083"	932.43774	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+2K-H"	76.91904
"1093867"	362.09194	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2K-H"	76.91904
"154330"	324.136058	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"2M+2K"	77.926316
"596080"	466.722508	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"3M+2K"	77.926316
"1083266"	181.549608	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2K"	77.926316
"1113801"	364.106492	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2K+H"	78.933592
"1341432"	364.194107	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+DMSO+H"	79.021207
"1009962"	368.233276	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2ACN+H"	83.060376
"1525900"	369.226908	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+IsoProp+Na+H"	84.054008
"991009"	184.620276	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+2ACN+2H"	84.067652
"1587581"	370.141528	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+K+HCOOH"	84.968628
"1421270"	400.173038	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+H+CF3COOH"	115.000138
"1151560"	205.133551	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+3ACN+2H"	125.094202
"1704392"	417.199585	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+NH4+CF3COOH"	132.026685
"1635668"	422.15498	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+Na+CF3COOH"	136.98208
"1573507"	438.12892	"C09546"	"Isococculidine;Erythrinan 12-didehydro-315-dimethoxy- (3-beta)-"	"C18H23NO2"	"285.1729"	"M+K+CF3COOH"	152.95602
"815542"	346.1416	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M"	0
"982878"	327.12321	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"66745"	229.753790666667	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"506306"	345.134324	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"887390"	114.373257333333	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"5964"	345.134324	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"446618"	518.205124	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"822233"	172.063524	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"85504"	691.275924	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"522876"	1037.417524	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"897759"	345.134324	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"48369"	708.302471	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"488659"	1054.444071	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"865125"	362.160871	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"33026"	713.257866	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"472952"	1059.399466	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"851847"	367.116266	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1625027"	367.116266	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"100095"	363.122663	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"535654"	536.193463	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"937919"	190.051863	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"276479"	727.252602	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"667805"	1073.394202	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1283489"	381.111002	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"21671"	729.231806	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"459045"	1075.373406	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"837939"	383.090206	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1558149"	383.090206	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"944938"	391.139794	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"371901"	737.281401	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"353599"	751.297051	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1498056"	405.155451	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"966688"	413.121751	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"116690"	381.111002	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"552970"	554.181802	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1025049"	208.040202	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1243535"	425.060485	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1311460"	427.116472	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1320332"	449.098429	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"913458"	459.127186	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1291261"	495.103864	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1377078"	311.128924	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1388012"	329.1389	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"290981"	693.290476	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"684495"	1039.432076	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1355011"	347.148876	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"128270"	347.148876	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"567221"	520.219676	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1039904"	174.078076	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"207081"	231.768342666667	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"648827"	347.148876	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1166223"	116.387809333333	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"427311"	710.317023	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"789763"	1056.458623	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1687185"	364.175423	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"333278"	355.6621495	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"726794"	528.7329495	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1478427"	182.5913495	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"398202"	715.272418	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"755186"	1061.414018	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1604014"	369.130818	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"315512"	358.139847	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"710850"	531.210647	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1463576"	185.069047	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1054637"	123.715123333333	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1258502"	379.175086	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"379264"	731.246358	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"739532"	1077.387958	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1543046"	385.104758	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"302771"	366.126817	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"694828"	539.197617	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1448648"	193.056017	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"244176"	734.317026	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1221259"	388.175426	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1205139"	194.591351	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"196919"	737.25436	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"632833"	1083.39596	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1136706"	391.11276	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"187652"	369.130818	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"621744"	542.201618	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1121970"	196.060018	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1409869"	131.042437333333	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1441984"	393.154346	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"233505"	374.16384	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1520473"	407.20639	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"421992"	377.117788	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"782255"	550.188588	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1677493"	204.046988	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"264741"	756.298968	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1238910"	410.157368	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1728171"	410.180893	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1190598"	138.369751333333	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1660858"	415.136288	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"169544"	769.20224	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"608010"	1115.34384	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1091064"	423.06064	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"152620"	385.104758	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"592544"	558.175558	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1082160"	212.033958	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1105160"	425.075192	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1345919"	425.162807	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1013353"	429.201976	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1526011"	430.195608	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"991000"	215.104626	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1587570"	431.110228	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1421380"	461.141738	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1150577"	235.617901	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1703409"	478.168285	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1635049"	483.12368	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1573617"	499.09762	"C09547"	"Saupirin"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"803986"	276.1362	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M"	0
"982988"	257.11781	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-H2O-H"	-19.01839
"64668"	183.083524	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M-3H"	-3.021828
"504226"	275.128924	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M-3H"	-3.021828
"883125"	91.038124	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-3H"	-3.021828
"2792"	275.128924	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M-2H"	-2.014552
"442714"	413.197024	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M-2H"	-2.014552
"821246"	137.060824	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-2H"	-2.014552
"80143"	551.265124	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M-H"	-1.007276
"520554"	827.401324	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M-H"	-1.007276
"898598"	275.128924	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-H"	-1.007276
"51154"	568.291671	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M-2H+NH4"	16.019271
"492901"	844.427871	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M-2H+NH4"	16.019271
"867423"	292.155471	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-2H+NH4"	16.019271
"35690"	573.247066	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M-2H+Na"	20.974666
"473304"	849.383266	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M-2H+Na"	20.974666
"861071"	297.110866	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-2H+Na"	20.974666
"1630605"	297.110866	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Na-2H"	20.974666
"101666"	293.117263	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M-H+Cl"	33.962126
"535764"	431.185363	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M-H+Cl"	33.962126
"930375"	155.049163	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-H+Cl"	33.962126
"276589"	587.241802	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+Cl"	34.969402
"667915"	863.378002	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+Cl"	34.969402
"1283599"	311.105602	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Cl"	34.969402
"20687"	589.221006	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M-2H+K"	36.948606
"466445"	865.357206	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M-2H+K"	36.948606
"843154"	313.084806	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-2H+K"	36.948606
"1561540"	313.084806	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+K-2H"	36.948606
"952705"	321.134394	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-H+HCOOH"	44.998194
"375783"	597.270601	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+HCOOH-H"	44.998201
"358083"	611.286251	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+Hac-H"	59.013851
"1497073"	335.150051	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Hac-H"	59.013851
"963519"	343.116351	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-H+NaCOOH"	66.980151
"116801"	311.105602	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+2Cl"	69.938804
"553082"	449.173702	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+2Cl"	69.938804
"1022610"	173.037502	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2Cl"	69.938804
"1242920"	355.055085	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Br"	78.918885
"1306102"	357.111072	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Cl+HCOOH"	80.974872
"1320678"	379.093029	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Cl+NaCOOH"	102.956829
"911655"	389.121786	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M-H+CF3COOH"	112.985586
"1288808"	425.098464	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Cl+CF3COOH"	148.962264
"1370625"	241.123524	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H-2H2O"	-35.012676
"1387027"	259.1335	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H-H2O"	-17.0027
"283188"	553.279676	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+H"	1.007276
"684605"	829.415876	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+H"	1.007276
"1355121"	277.143476	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H"	1.007276
"127286"	277.143476	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+2H"	2.014552
"566601"	415.211576	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+2H"	2.014552
"1038313"	139.075376	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2H"	2.014552
"205366"	185.098076	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+3H"	3.021828
"645047"	277.143476	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+3H"	3.021828
"1164146"	93.052676	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+3H"	3.021828
"425960"	570.306223	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+NH4"	18.033823
"788413"	846.442423	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+NH4"	18.033823
"1684014"	294.170023	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+NH4"	18.033823
"331199"	285.6567495	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+H+NH4"	19.041099
"727997"	423.7248495	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+H+NH4"	19.041099
"1482914"	147.5886495	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H+NH4"	19.041099
"397219"	575.261618	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+Na"	22.989218
"754563"	851.397818	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+Na"	22.989218
"1609595"	299.125418	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Na"	22.989218
"320728"	288.134447	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+H+Na"	23.996494
"712056"	426.202547	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+H+Na"	23.996494
"1470250"	150.066347	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H+Na"	23.996494
"1060217"	100.37999	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2H+Na"	25.00377
"1265173"	309.169686	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+CH3OH+H"	33.033486
"383749"	591.235558	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+K"	38.963158
"742922"	867.371758	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+K"	38.963158
"1543153"	315.099358	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+K"	38.963158
"303609"	296.121417	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+H+K"	39.970434
"694937"	434.189517	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+H+K"	39.970434
"1451310"	158.053317	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H+K"	39.970434
"243192"	594.306226	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+ACN+H"	42.033826
"1219180"	318.170026	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+ACN+H"	42.033826
"1204886"	159.588651	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+ACN+2H"	43.041102
"195936"	597.24356	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+2Na-H"	44.97116
"630394"	873.37976	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+2Na-H"	44.97116
"1137910"	321.10736	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2Na-H"	44.97116
"187523"	299.125418	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+2Na"	45.978436
"621856"	437.193518	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+2Na"	45.978436
"1123174"	161.057318	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2Na"	45.978436
"1412170"	107.707304	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H+2Na"	46.985712
"1443553"	323.148946	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H+HCOOH"	47.012746
"233254"	304.15844	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+3H2O+2H"	56.04448
"1520949"	337.20099	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+IsoProp+H"	61.06479
"421004"	307.112388	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+Na+K"	61.952376
"779086"	445.180488	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+Na+K"	61.952376
"1675781"	169.044288	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Na+K"	61.952376
"262664"	616.288168	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+ACN+Na"	64.015768
"1237560"	340.151968	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+ACN+Na"	64.015768
"1724259"	340.175493	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+NH4+HCOOH"	64.039293
"1189979"	115.034618	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+3Na"	68.967654
"1661332"	345.130888	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Na+HCOOH"	68.994688
"168559"	629.19144	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+2K-H"	76.91904
"609941"	905.32764	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+2K-H"	76.91904
"1096278"	353.05524	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2K-H"	76.91904
"148720"	315.099358	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"2M+2K"	77.926316
"587187"	453.167458	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"3M+2K"	77.926316
"1078627"	177.031258	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2K"	77.926316
"1108551"	355.069792	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2K+H"	78.933592
"1345300"	355.157407	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+DMSO+H"	79.021207
"1013465"	359.196576	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2ACN+H"	83.060376
"1527215"	360.190208	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+IsoProp+Na+H"	84.054008
"990094"	180.101926	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+2ACN+2H"	84.067652
"1587309"	361.104828	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+K+HCOOH"	84.968628
"1415409"	391.136338	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+H+CF3COOH"	115.000138
"1155062"	200.615201	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+3ACN+2H"	125.094202
"1703519"	408.162885	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+NH4+CF3COOH"	132.026685
"1636983"	413.11828	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+Na+CF3COOH"	136.98208
"1575916"	429.09222	"C09548"	"Scorpioidin"	"C16H20O4"	"276.1362"	"M+K+CF3COOH"	152.95602
"803367"	341.1627	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M"	0
"986378"	322.14431	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-H2O-H"	-19.01839
"65142"	226.434524	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M-3H"	-3.021828
"504337"	340.155424	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M-3H"	-3.021828
"885422"	112.713624	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-3H"	-3.021828
"7276"	340.155424	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M-2H"	-2.014552
"449022"	510.736774	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M-2H"	-2.014552
"826825"	169.574074	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-2H"	-2.014552
"84630"	681.318124	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M-H"	-1.007276
"526377"	1022.480824	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M-H"	-1.007276
"899806"	340.155424	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-H"	-1.007276
"55274"	698.344671	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M-2H+NH4"	16.019271
"494834"	1039.507371	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M-2H+NH4"	16.019271
"870450"	357.181971	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-2H+NH4"	16.019271
"37259"	703.300066	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M-2H+Na"	20.974666
"480100"	1044.462766	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M-2H+Na"	20.974666
"855715"	362.137366	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-2H+Na"	20.974666
"1631448"	362.137366	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Na-2H"	20.974666
"107974"	358.143763	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M-H+Cl"	33.962126
"535510"	528.725113	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M-H+Cl"	33.962126
"929756"	187.562413	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-H+Cl"	33.962126
"269403"	717.294802	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+Cl"	34.969402
"661826"	1058.457502	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+Cl"	34.969402
"1274956"	376.132102	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Cl"	34.969402
"19703"	719.274006	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M-2H+K"	36.948606
"460357"	1060.436706	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M-2H+K"	36.948606
"839254"	378.111306	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-2H+K"	36.948606
"1568211"	378.111306	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+K-2H"	36.948606
"954999"	386.160894	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-H+HCOOH"	44.998194
"375405"	727.323601	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+HCOOH-H"	44.998201
"353819"	741.339251	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+Hac-H"	59.013851
"1502649"	400.176551	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Hac-H"	59.013851
"963629"	408.142851	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-H+NaCOOH"	66.980151
"114725"	376.132102	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+2Cl"	69.938804
"554284"	546.713452	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+2Cl"	69.938804
"1024178"	205.550752	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2Cl"	69.938804
"1244850"	420.081585	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Br"	78.918885
"1307304"	422.137572	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Cl+HCOOH"	80.974872
"1321523"	444.119529	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Cl+NaCOOH"	102.956829
"916954"	454.148286	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M-H+CF3COOH"	112.985586
"1289044"	490.124964	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Cl+CF3COOH"	148.962264
"1370735"	306.150024	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H-2H2O"	-35.012676
"1384949"	324.16	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H-H2O"	-17.0027
"283177"	683.332676	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+H"	1.007276
"684715"	1024.495376	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+H"	1.007276
"1355960"	342.169976	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H"	1.007276
"127758"	342.169976	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+2H"	2.014552
"566220"	512.751326	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+2H"	2.014552
"1038664"	171.588626	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2H"	2.014552
"206567"	228.449076	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+3H"	3.021828
"644789"	342.169976	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+3H"	3.021828
"1165347"	114.728176	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+3H"	3.021828
"426070"	700.359223	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+NH4"	18.033823
"788159"	1041.521923	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+NH4"	18.033823
"1684121"	359.196523	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+NH4"	18.033823
"332403"	350.6832495	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+H+NH4"	19.041099
"726649"	521.2645995	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+H+NH4"	19.041099
"1481931"	180.1018995	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H+NH4"	19.041099
"397329"	705.314618	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+Na"	22.989218
"755164"	1046.477318	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+Na"	22.989218
"1609705"	364.151918	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Na"	22.989218
"321931"	353.160947	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+H+Na"	23.996494
"711073"	523.742297	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+H+Na"	23.996494
"1470359"	182.579597	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H+Na"	23.996494
"1059233"	122.05549	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2H+Na"	25.00377
"1265283"	374.196186	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+CH3OH+H"	33.033486
"382036"	721.288558	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+K"	38.963158
"744855"	1062.451258	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+K"	38.963158
"1544721"	380.125858	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+K"	38.963158
"303353"	361.147917	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+H+K"	39.970434
"696869"	531.729267	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+H+K"	39.970434
"1454699"	190.566567	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H+K"	39.970434
"244394"	724.359226	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+ACN+H"	42.033826
"1221477"	383.196526	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+ACN+H"	42.033826
"1204266"	192.101901	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+ACN+2H"	43.041102
"201513"	727.29656	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+2Na-H"	44.97116
"637794"	1068.45926	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+2Na-H"	44.97116
"1141301"	386.13386	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2Na-H"	44.97116
"188445"	364.151918	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+2Na"	45.978436
"627798"	534.733268	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+2Na"	45.978436
"1126564"	193.570568	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2Na"	45.978436
"1413131"	129.382804	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H+2Na"	46.985712
"1445126"	388.175446	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H+HCOOH"	47.012746
"234459"	369.18494	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+3H2O+2H"	56.04448
"1522883"	402.22749	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+IsoProp+H"	61.06479
"421479"	372.138888	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+Na+K"	61.952376
"778466"	542.720238	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+Na+K"	61.952376
"1675163"	201.557538	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Na+K"	61.952376
"261315"	746.341168	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+ACN+Na"	64.015768
"1235117"	405.178468	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+ACN+Na"	64.015768
"1724369"	405.201993	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+NH4+HCOOH"	64.039293
"1190090"	136.710118	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+3Na"	68.967654
"1661079"	410.157388	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Na+HCOOH"	68.994688
"169399"	759.24444	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+2K-H"	76.91904
"609323"	1100.40714	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+2K-H"	76.91904
"1092014"	418.08174	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2K-H"	76.91904
"148101"	380.125858	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"2M+2K"	77.926316
"587659"	550.707208	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"3M+2K"	77.926316
"1075451"	209.544508	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2K"	77.926316
"1105382"	420.096292	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2K+H"	78.933592
"1346138"	420.183907	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+DMSO+H"	79.021207
"1015761"	424.223076	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2ACN+H"	83.060376
"1537898"	425.216708	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+IsoProp+Na+H"	84.054008
"999240"	212.615176	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+2ACN+2H"	84.067652
"1595932"	426.131328	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+K+HCOOH"	84.968628
"1415883"	456.162838	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+H+CF3COOH"	115.000138
"1155172"	233.128451	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+3ACN+2H"	125.094202
"1701442"	473.189385	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+NH4+CF3COOH"	132.026685
"1637093"	478.14478	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+Na+CF3COOH"	136.98208
"1576026"	494.11872	"C09549"	"Isocorydine"	"C20H23NO4"	"341.1627"	"M+K+CF3COOH"	152.95602
"803113"	311.1521	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M"	0
"974244"	292.13371	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-H2O-H"	-19.01839
"62993"	206.427457333333	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M-3H"	-3.021828
"509912"	310.144824	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M-3H"	-3.021828
"882246"	102.710090666667	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-3H"	-3.021828
"5196"	310.144824	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M-2H"	-2.014552
"443663"	465.720874	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M-2H"	-2.014552
"819641"	154.568774	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-2H"	-2.014552
"79999"	621.296924	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M-H"	-1.007276
"522108"	932.449024	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M-H"	-1.007276
"896995"	310.144824	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-H"	-1.007276
"48456"	638.323471	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M-2H+NH4"	16.019271
"488625"	949.475571	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M-2H+NH4"	16.019271
"867279"	327.171371	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-2H+NH4"	16.019271
"33724"	643.278866	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M-2H+Na"	20.974666
"480210"	954.430966	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M-2H+Na"	20.974666
"852545"	332.126766	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-2H+Na"	20.974666
"1629735"	332.126766	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Na-2H"	20.974666
"108448"	328.133163	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M-H+Cl"	33.962126
"534892"	483.709213	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M-H+Cl"	33.962126
"929866"	172.557113	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-H+Cl"	33.962126
"268420"	657.273602	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+Cl"	34.969402
"661936"	968.425702	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+Cl"	34.969402
"1274338"	346.121502	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Cl"	34.969402
"19813"	659.252806	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M-2H+K"	36.948606
"460467"	970.404906	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M-2H+K"	36.948606
"838271"	348.100706	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-2H+K"	36.948606
"1562854"	348.100706	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+K-2H"	36.948606
"955109"	356.150294	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-H+HCOOH"	44.998194
"374419"	667.302401	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+HCOOH-H"	44.998201
"353929"	681.318051	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+Hac-H"	59.013851
"1499480"	370.165951	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Hac-H"	59.013851
"962645"	378.132251	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-H+NaCOOH"	66.980151
"115928"	346.121502	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+2Cl"	69.938804
"553300"	501.697552	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+2Cl"	69.938804
"1022830"	190.545452	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2Cl"	69.938804
"1244960"	390.070985	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Br"	78.918885
"1308508"	392.126972	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Cl+HCOOH"	80.974872
"1321633"	414.108929	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Cl+NaCOOH"	102.956829
"914877"	424.137686	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M-H+CF3COOH"	112.985586
"1291585"	460.114364	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Cl+CF3COOH"	148.962264
"1373025"	276.139424	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H-2H2O"	-35.012676
"1387242"	294.1494	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H-H2O"	-17.0027
"286927"	623.311476	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+H"	1.007276
"675796"	934.463576	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+H"	1.007276
"1353152"	312.159376	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H"	1.007276
"127142"	312.159376	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+2H"	2.014552
"567062"	467.735426	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+2H"	2.014552
"1037919"	156.583326	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2H"	2.014552
"205948"	208.442009333333	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+3H"	3.021828
"644452"	312.159376	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+3H"	3.021828
"1163269"	104.724642666667	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+3H"	3.021828
"426543"	640.338023	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+NH4"	18.033823
"787172"	951.490123	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+NH4"	18.033823
"1682774"	329.185923	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+NH4"	18.033823
"331055"	320.6726495	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+H+NH4"	19.041099
"724572"	476.2486995	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+H+NH4"	19.041099
"1482041"	165.0965995	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H+NH4"	19.041099
"397439"	645.293418	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+Na"	22.989218
"754297"	956.445518	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+Na"	22.989218
"1609816"	334.141318	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Na"	22.989218
"317668"	323.150347	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+H+Na"	23.996494
"709725"	478.726397	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+H+Na"	23.996494
"1470468"	167.574297	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H+Na"	23.996494
"1056063"	112.051956666667	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2H+Na"	25.00377
"1262112"	344.185586	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+CH3OH+H"	33.033486
"381052"	661.267358	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+K"	38.963158
"741684"	972.419458	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+K"	38.963158
"1543738"	350.115258	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+K"	38.963158
"302006"	331.137317	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+H+K"	39.970434
"697707"	486.713367	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+H+K"	39.970434
"1459182"	175.561267	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H+K"	39.970434
"248879"	664.338026	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+ACN+H"	42.033826
"1219400"	353.185926	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+ACN+H"	42.033826
"1206563"	177.096601	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+ACN+2H"	43.041102
"199436"	667.27536	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+2Na-H"	44.97116
"642522"	978.42746	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+2Na-H"	44.97116
"1146352"	356.12326	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2Na-H"	44.97116
"188393"	334.141318	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+2Na"	45.978436
"626448"	489.717368	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+2Na"	45.978436
"1126674"	178.565268	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2Na"	45.978436
"1414099"	119.379270666667	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H+2Na"	46.985712
"1445357"	358.164846	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H+HCOOH"	47.012746
"235420"	339.17434	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+3H2O+2H"	56.04448
"1523357"	372.21689	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+IsoProp+H"	61.06479
"418670"	342.128288	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+Na+K"	61.952376
"777483"	497.704338	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+Na+K"	61.952376
"1677823"	186.552238	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Na+K"	61.952376
"260331"	686.319968	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+ACN+Na"	64.015768
"1235592"	375.167868	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+ACN+Na"	64.015768
"1725207"	375.191393	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+NH4+HCOOH"	64.039293
"1191292"	126.706584666667	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+3Na"	68.967654
"1664103"	380.146788	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Na+HCOOH"	68.994688
"170237"	699.22324	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+2K-H"	76.91904
"610525"	1010.37534	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+2K-H"	76.91904
"1091396"	388.07114	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2K-H"	76.91904
"148211"	350.115258	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"2M+2K"	77.926316
"586675"	505.691308	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"3M+2K"	77.926316
"1073375"	194.539208	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2K"	77.926316
"1104401"	390.085692	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2K+H"	78.933592
"1346250"	390.173307	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+DMSO+H"	79.021207
"1015871"	394.212476	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2ACN+H"	83.060376
"1538010"	395.206108	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+IsoProp+Na+H"	84.054008
"1002633"	197.609876	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+2ACN+2H"	84.067652
"1594949"	396.120728	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+K+HCOOH"	84.968628
"1414535"	426.152238	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+H+CF3COOH"	115.000138
"1158562"	218.123151	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+3ACN+2H"	125.094202
"1703739"	443.178785	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+NH4+CF3COOH"	132.026685
"1636474"	448.13418	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+Na+CF3COOH"	136.98208
"1576136"	464.10812	"C09550"	"Isothebaine"	"C19H21NO3"	"311.1521"	"M+K+CF3COOH"	152.95602
"806503"	516.1995	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M"	0
"974426"	497.18111	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-H2O-H"	-19.01839
"66089"	343.125724	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M-3H"	-3.021828
"507836"	515.192224	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M-3H"	-3.021828
"881265"	171.059224	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-3H"	-3.021828
"4214"	515.192224	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M-2H"	-2.014552
"442678"	773.291974	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M-2H"	-2.014552
"820479"	257.092474	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-2H"	-2.014552
"82659"	1031.391724	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M-H"	-1.007276
"525498"	1547.591224	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M-H"	-1.007276
"896741"	515.192224	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-H"	-1.007276
"48200"	1048.418271	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M-2H+NH4"	16.019271
"488734"	1564.617771	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M-2H+NH4"	16.019271
"866296"	532.218771	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-2H+NH4"	16.019271
"34198"	1053.373666	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M-2H+Na"	20.974666
"472660"	1569.573166	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M-2H+Na"	20.974666
"851926"	537.174166	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-2H+Na"	20.974666
"1628749"	537.174166	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Na-2H"	20.974666
"107101"	533.180563	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M-H+Cl"	33.962126
"535366"	791.280313	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M-H+Cl"	33.962126
"932892"	275.080813	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-H+Cl"	33.962126
"268531"	1067.368402	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+Cl"	34.969402
"662046"	1583.567902	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+Cl"	34.969402
"1276271"	551.168902	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Cl"	34.969402
"19923"	1069.347606	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M-2H+K"	36.948606
"460577"	1585.547106	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M-2H+K"	36.948606
"839474"	553.148106	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-2H+K"	36.948606
"1562964"	553.148106	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+K-2H"	36.948606
"955219"	561.197694	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-H+HCOOH"	44.998194
"374165"	1077.397201	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+HCOOH-H"	44.998201
"355132"	1091.412851	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+Hac-H"	59.013851
"1499590"	575.213351	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Hac-H"	59.013851
"963849"	583.179651	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-H+NaCOOH"	66.980151
"114945"	551.168902	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+2Cl"	69.938804
"553410"	809.268652	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+2Cl"	69.938804
"1025854"	293.069152	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2Cl"	69.938804
"1243979"	595.118385	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Br"	78.918885
"1310803"	597.174372	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Cl+HCOOH"	80.974872
"1321742"	619.156329	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Cl+NaCOOH"	102.956829
"914987"	629.185086	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M-H+CF3COOH"	112.985586
"1290965"	665.161764	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Cl+CF3COOH"	148.962264
"1370946"	481.186824	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H-2H2O"	-35.012676
"1388444"	499.1968	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H-H2O"	-17.0027
"285944"	1033.406276	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+H"	1.007276
"678364"	1549.605776	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+H"	1.007276
"1353262"	517.206776	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H"	1.007276
"129075"	517.206776	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+2H"	2.014552
"567297"	775.306526	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+2H"	2.014552
"1037914"	259.107026	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2H"	2.014552
"205333"	345.140276	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+3H"	3.021828
"645988"	517.206776	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+3H"	3.021828
"1163750"	173.073776	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+3H"	3.021828
"424833"	1050.432823	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+NH4"	18.033823
"786557"	1566.632323	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+NH4"	18.033823
"1682522"	534.233323	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+NH4"	18.033823
"330435"	525.7200495	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+H+NH4"	19.041099
"723588"	783.8197995	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+H+NH4"	19.041099
"1482153"	267.6202995	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H+NH4"	19.041099
"393540"	1055.388218	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+Na"	22.989218
"755385"	1571.587718	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+Na"	22.989218
"1605554"	539.188718	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Na"	22.989218
"316318"	528.197747	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+H+Na"	23.996494
"711293"	786.297497	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+H+Na"	23.996494
"1464381"	270.097997	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H+Na"	23.996494
"1055200"	180.40109	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2H+Na"	25.00377
"1262221"	549.232986	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+CH3OH+H"	33.033486
"381892"	1071.362158	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+K"	38.963158
"741794"	1587.561658	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+K"	38.963158
"1546034"	555.162658	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+K"	38.963158
"303208"	536.184717	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+H+K"	39.970434
"706323"	794.284467	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+H+K"	39.970434
"1459900"	278.084967	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H+K"	39.970434
"245707"	1074.432826	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+ACN+H"	42.033826
"1219509"	558.233326	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+ACN+H"	42.033826
"1205580"	279.620301	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+ACN+2H"	43.041102
"198452"	1077.37016	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+2Na-H"	44.97116
"643117"	1593.56966	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+2Na-H"	44.97116
"1146381"	561.17066	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2Na-H"	44.97116
"187486"	539.188718	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+2Na"	45.978436
"623279"	797.288468	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+2Na"	45.978436
"1126784"	281.088968	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2Na"	45.978436
"1413235"	187.728404	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H+2Na"	46.985712
"1444615"	563.212246	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H+HCOOH"	47.012746
"232861"	544.22174	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+3H2O+2H"	56.04448
"1523468"	577.26429	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+IsoProp+H"	61.06479
"419873"	547.175688	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+Na+K"	61.952376
"775407"	805.275438	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+Na+K"	61.952376
"1674653"	289.075938	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Na+K"	61.952376
"256068"	1096.414768	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+ACN+Na"	64.015768
"1235338"	580.215268	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+ACN+Na"	64.015768
"1725683"	580.238793	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+NH4+HCOOH"	64.039293
"1189944"	195.055718	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+3Na"	68.967654
"1662753"	585.194188	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Na+HCOOH"	68.994688
"170709"	1109.31804	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+2K-H"	76.91904
"609905"	1625.51754	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+2K-H"	76.91904
"1093692"	593.11854	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2K-H"	76.91904
"148321"	555.162658	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"2M+2K"	77.926316
"584602"	813.262408	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"3M+2K"	77.926316
"1076769"	297.062908	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2K"	77.926316
"1105603"	595.133092	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2K+H"	78.933592
"1345265"	595.220707	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+DMSO+H"	79.021207
"1014887"	599.259876	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2ACN+H"	83.060376
"1534107"	600.253508	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+IsoProp+Na+H"	84.054008
"1002741"	300.133576	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+2ACN+2H"	84.067652
"1597245"	601.168128	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+K+HCOOH"	84.968628
"1415618"	631.199638	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+H+CF3COOH"	115.000138
"1158308"	320.646851	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+3ACN+2H"	125.094202
"1703849"	648.226185	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+NH4+CF3COOH"	132.026685
"1639500"	653.18158	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+Na+CF3COOH"	136.98208
"1577338"	669.15552	"C09551"	"Spicatin"	"C27H32O10"	"516.1995"	"M+K+CF3COOH"	152.95602
"803333"	262.1205	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M"	0
"975038"	243.10211	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"64741"	173.739724	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"507946"	261.113224	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"881009"	86.366224	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"4324"	261.113224	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"442789"	392.173474	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"821684"	130.052974	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"82769"	523.233724	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"522328"	785.354224	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"897218"	261.113224	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"48310"	540.260271	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"489695"	802.380771	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"866041"	278.139771	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"35036"	545.215666	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"473501"	807.336166	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"857140"	283.095166	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1628498"	283.095166	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"105389"	279.101563	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"542762"	410.161813	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"931909"	148.041313	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"267911"	559.210402	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"660814"	821.330902	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1274558"	297.089902	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"20033"	561.189606	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"459594"	823.310106	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"839584"	299.069106	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1565261"	299.069106	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"953143"	307.118694	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"371359"	569.239201	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"355242"	583.254851	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1499700"	321.134351	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"966146"	329.100651	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"119425"	297.089902	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"553884"	428.150152	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1024506"	166.029652	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1244089"	341.039385	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1304284"	343.095372	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1320109"	365.077329	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"913274"	375.106086	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1289983"	411.082764	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1371058"	227.107824	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1386368"	245.1178	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"286054"	525.248276	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"678840"	787.368776	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1353734"	263.127776	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"129914"	263.127776	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"567651"	394.188026	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1038388"	132.067526	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"205565"	175.754276	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"645243"	263.127776	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1163252"	88.380776	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"426764"	542.274823	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"788123"	804.395323	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1683360"	280.154323	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"330545"	271.6410495	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"724062"	402.7012995	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1478618"	140.5807995	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"393771"	547.230218	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"755495"	809.350718	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1605299"	285.109718	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"314351"	274.118747	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"708121"	405.178997	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1462669"	143.058497	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1054459"	95.70809	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1257594"	295.153986	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"378722"	563.204158	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"739354"	825.324658	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1542864"	301.083658	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"301133"	282.105717	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"704124"	413.165967	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1458676"	151.045467	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"244724"	566.274826	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1220712"	304.154326	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1203503"	152.580801	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"198562"	569.21216	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"642989"	831.33266	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1143816"	307.09166	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"187963"	285.109718	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"620109"	416.169968	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1124706"	154.049468	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1413705"	103.035404	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1444482"	309.133246	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"234062"	290.14274	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1523580"	323.18529	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"421806"	293.096688	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"777705"	424.156938	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1676949"	162.036438	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"257272"	588.256768	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1235447"	326.136268	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1725428"	326.159793	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1190418"	110.362718	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1660676"	331.115188	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"169726"	601.16004	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"609287"	863.28054	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1097447"	339.03954	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"150618"	301.083658	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"585804"	432.143908	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1076879"	170.023408	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1107899"	341.054092	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1346469"	341.141707	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1013905"	345.180876	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1537134"	346.174508	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"1001760"	173.094076	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1597355"	347.089128	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1415725"	377.120638	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1159511"	193.607351	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1703959"	394.147185	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1639610"	399.10258	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1577448"	415.07652	"C09552"	"Stramonin B"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"808911"	338.1392	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M"	0
"974361"	319.12081	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-H2O-H"	-19.01839
"63514"	224.418857333333	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M-3H"	-3.021828
"505870"	337.131924	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M-3H"	-3.021828
"881360"	111.705790666667	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-3H"	-3.021828
"1270"	337.131924	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M-2H"	-2.014552
"442168"	506.201524	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M-2H"	-2.014552
"821063"	168.062324	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-2H"	-2.014552
"82878"	675.271124	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M-H"	-1.007276
"524624"	1013.410324	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M-H"	-1.007276
"896720"	337.131924	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-H"	-1.007276
"48420"	692.297671	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M-2H+NH4"	16.019271
"489807"	1030.436871	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M-2H+NH4"	16.019271
"871986"	354.158471	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-2H+NH4"	16.019271
"42441"	697.253066	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M-2H+Na"	20.974666
"480540"	1035.392266	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M-2H+Na"	20.974666
"858344"	359.113866	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-2H+Na"	20.974666
"1630794"	359.113866	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Na-2H"	20.974666
"106592"	355.120263	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M-H+Cl"	33.962126
"542871"	524.189863	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M-H+Cl"	33.962126
"932019"	186.050663	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-H+Cl"	33.962126
"268509"	711.247802	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+Cl"	34.969402
"662995"	1049.387002	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+Cl"	34.969402
"1275399"	373.108602	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Cl"	34.969402
"19046"	713.227006	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M-2H+K"	36.948606
"459704"	1051.366206	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M-2H+K"	36.948606
"839694"	375.087806	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-2H+K"	36.948606
"1563181"	375.087806	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+K-2H"	36.948606
"951066"	383.137394	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-H+HCOOH"	44.998194
"373655"	721.276601	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+HCOOH-H"	44.998201
"355353"	735.292251	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+Hac-H"	59.013851
"1505277"	397.153051	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Hac-H"	59.013851
"969172"	405.119351	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-H+NaCOOH"	66.980151
"121722"	373.108602	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+2Cl"	69.938804
"555817"	542.178202	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+2Cl"	69.938804
"1025710"	204.039002	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2Cl"	69.938804
"1244200"	417.058085	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Br"	78.918885
"1304951"	419.114072	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Cl+HCOOH"	80.974872
"1320505"	441.096029	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Cl+NaCOOH"	102.956829
"914111"	451.124786	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M-H+CF3COOH"	112.985586
"1289729"	487.101464	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Cl+CF3COOH"	148.962264
"1368982"	303.126524	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H-2H2O"	-35.012676
"1387570"	321.1365	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H-H2O"	-17.0027
"286164"	677.285676	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+H"	1.007276
"678585"	1015.424876	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+H"	1.007276
"1351535"	339.146476	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H"	1.007276
"132211"	339.146476	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+2H"	2.014552
"567518"	508.216076	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+2H"	2.014552
"1038868"	170.076876	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2H"	2.014552
"206651"	226.433409333333	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+3H"	3.021828
"646331"	339.146476	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+3H"	3.021828
"1165430"	113.720342666667	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+3H"	3.021828
"426148"	694.312223	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+NH4"	18.033823
"787870"	1032.451423	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+NH4"	18.033823
"1683470"	356.173023	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+NH4"	18.033823
"331019"	347.6597495	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+H+NH4"	19.041099
"724901"	516.7293495	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+H+NH4"	19.041099
"1479092"	178.5901495	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H+NH4"	19.041099
"394002"	699.267618	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+Na"	22.989218
"756577"	1037.406818	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+Na"	22.989218
"1606866"	361.128418	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Na"	22.989218
"317632"	350.137447	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+H+Na"	23.996494
"711512"	519.207047	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+H+Na"	23.996494
"1463873"	181.067847	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H+Na"	23.996494
"1055664"	121.047656666667	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2H+Na"	25.00377
"1261350"	371.172686	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+CH3OH+H"	33.033486
"381019"	715.241558	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+K"	38.963158
"738567"	1053.380758	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+K"	38.963158
"1541516"	377.102358	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+K"	38.963158
"304523"	358.124417	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+H+K"	39.970434
"702411"	527.194017	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+H+K"	39.970434
"1459515"	189.054817	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H+K"	39.970434
"243741"	718.312226	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+ACN+H"	42.033826
"1219730"	380.173026	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+ACN+H"	42.033826
"1207987"	190.590151	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+ACN+2H"	43.041102
"199765"	721.24956	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+2Na-H"	44.97116
"643099"	1059.38876	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+2Na-H"	44.97116
"1142831"	383.11036	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2Na-H"	44.97116
"186735"	361.128418	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+2Na"	45.978436
"626659"	530.198018	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+2Na"	45.978436
"1126641"	192.058818	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2Na"	45.978436
"1407248"	128.374970666667	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H+2Na"	46.985712
"1443982"	385.151946	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H+HCOOH"	47.012746
"234778"	366.16144	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+3H2O+2H"	56.04448
"1523207"	399.20399	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+IsoProp+H"	61.06479
"421187"	369.115388	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+Na+K"	61.952376
"780003"	538.184988	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+Na+K"	61.952376
"1675967"	200.045788	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Na+K"	61.952376
"259569"	740.294168	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+ACN+Na"	64.015768
"1238839"	402.154968	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+ACN+Na"	64.015768
"1724443"	402.178493	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+NH4+HCOOH"	64.039293
"1189434"	135.702284666667	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+3Na"	68.967654
"1660058"	407.133888	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Na+HCOOH"	68.994688
"167651"	753.19744	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+2K-H"	76.91904
"611584"	1091.33664	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+2K-H"	76.91904
"1096098"	415.05824	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2K-H"	76.91904
"155103"	377.102358	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"2M+2K"	77.926316
"588103"	546.171958	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"3M+2K"	77.926316
"1078083"	208.032758	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2K"	77.926316
"1108009"	417.072792	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2K+H"	78.933592
"1343301"	417.160407	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+DMSO+H"	79.021207
"1016202"	421.199576	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2ACN+H"	83.060376
"1537489"	422.193208	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+IsoProp+Na+H"	84.054008
"1003936"	211.103426	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+2ACN+2H"	84.067652
"1590904"	423.107828	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+K+HCOOH"	84.968628
"1414740"	453.139338	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+H+CF3COOH"	115.000138
"1151237"	231.616701	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+3ACN+2H"	125.094202
"1704069"	470.165885	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+NH4+CF3COOH"	132.026685
"1638626"	475.12128	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+Na+CF3COOH"	136.98208
"1577558"	491.09522	"C09553"	"Jatrorrhizine"	"C20H20NO4"	"338.1392"	"M+K+CF3COOH"	152.95602
"803917"	348.1573	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M"	0
"976716"	329.13891	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"64231"	231.097590666667	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"505980"	347.150024	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"881594"	115.045157333333	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"1989"	347.150024	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"441915"	521.228674	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"822997"	173.071374	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"84080"	695.307324	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"520361"	1043.464624	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"896708"	347.150024	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"48165"	712.333871	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"491375"	1060.491171	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"871003"	364.176571	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"39997"	717.289266	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"478098"	1065.446566	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"859547"	369.131966	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1630174"	369.131966	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"108404"	365.138363	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"544077"	539.217013	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"936498"	191.059713	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"268496"	731.284002	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"662375"	1079.441302	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1276237"	383.126702	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"21344"	733.263206	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"458719"	1081.420506	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"839802"	385.105906	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1566569"	385.105906	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"947894"	393.155494	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"370484"	741.312801	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"357649"	755.328451	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1504294"	407.171151	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"970741"	415.137451	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"121835"	383.126702	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"555927"	557.205352	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1029106"	209.048052	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1244671"	427.076185	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1304939"	429.132172	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1320615"	451.114129	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"912400"	461.142886	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1289108"	497.119564	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1368726"	313.144624	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1384036"	331.1546	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"283724"	697.321876	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"676507"	1045.479176	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1353958"	349.164576	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"134503"	349.164576	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"571881"	523.243226	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1041409"	175.085926	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"208947"	233.112142666667	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"648144"	349.164576	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1165176"	117.059709333333	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"425894"	714.348423	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"788343"	1062.505723	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1682849"	366.191123	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"331860"	357.6778495	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"723552"	531.7564995	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1482482"	183.5991995	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"394234"	719.303818	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"755956"	1067.461118	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1609162"	371.146518	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"315920"	360.155547	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"711621"	534.234197	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1462766"	186.076897	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1054314"	124.387023333333	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1258420"	381.190786	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"377964"	735.277758	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"740301"	1083.435058	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1541260"	387.120458	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"301352"	368.142517	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"697054"	542.221167	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1459258"	194.063867	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"241662"	738.348426	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1215465"	390.191126	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1200442"	195.599201	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"199875"	741.28576	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"643324"	1089.44306	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1135650"	393.12846	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"186232"	371.146518	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"627986"	545.225168	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1127115"	197.067868	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1407358"	131.714337333333	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1444943"	395.170046	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"235333"	376.17954	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1523314"	409.22209	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"422392"	379.133488	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"779020"	553.212138	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1677170"	205.054838	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"260772"	760.330368	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1237490"	412.173068	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1723459"	412.196593	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1191733"	139.041651333333	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1664909"	417.151988	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"169580"	773.23364	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"609509"	1121.39094	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1096208"	425.07634	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"155213"	387.120458	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"596478"	561.199108	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1079286"	213.041808	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1105935"	427.090892	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1346689"	427.178507	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1018743"	431.217676	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1536626"	432.211308	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"1001979"	216.112476	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1591014"	433.125928	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1414365"	463.157438	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1151347"	236.625751	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1698711"	480.183985	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1637643"	485.13938	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1576575"	501.11332	"C09554"	"Tagitinin F"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"806943"	343.1784	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M"	0
"978286"	324.16001	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H2O-H"	-19.01839
"66528"	227.778324	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-3H"	-3.021828
"512650"	342.171124	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-3H"	-3.021828
"882800"	113.385524	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-3H"	-3.021828
"3562"	342.171124	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H"	-2.014552
"442392"	513.760324	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H"	-2.014552
"820191"	170.581924	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H"	-2.014552
"81641"	685.349524	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-H"	-1.007276
"523751"	1028.527924	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-H"	-1.007276
"898643"	342.171124	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H"	-1.007276
"52655"	702.376071	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H+NH4"	16.019271
"494404"	1045.554471	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H+NH4"	16.019271
"875488"	359.197671	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H+NH4"	16.019271
"39014"	707.331466	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H+Na"	20.974666
"484044"	1050.509866	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H+Na"	20.974666
"861845"	364.153066	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H+Na"	20.974666
"1632471"	364.153066	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na-2H"	20.974666
"107908"	360.159463	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-H+Cl"	33.962126
"547466"	531.748663	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-H+Cl"	33.962126
"942076"	188.570263	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+Cl"	33.962126
"273347"	721.326202	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Cl"	34.969402
"665767"	1064.504602	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+Cl"	34.969402
"1278897"	378.147802	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl"	34.969402
"26921"	723.305406	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H+K"	36.948606
"459922"	1066.483806	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H+K"	36.948606
"839912"	380.127006	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H+K"	36.948606
"1568866"	380.127006	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K-2H"	36.948606
"951283"	388.176594	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+HCOOH"	44.998194
"371687"	731.355001	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+HCOOH-H"	44.998201
"357758"	745.370651	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Hac-H"	59.013851
"1505498"	402.192251	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Hac-H"	59.013851
"971944"	410.158551	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+NaCOOH"	66.980151
"121944"	378.147802	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2Cl"	69.938804
"559316"	549.737002	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2Cl"	69.938804
"1028122"	206.558602	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2Cl"	69.938804
"1249886"	422.097285	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Br"	78.918885
"1306511"	424.153272	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl+HCOOH"	80.974872
"1321091"	446.135229	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl+NaCOOH"	102.956829
"913606"	456.163986	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+CF3COOH"	112.985586
"1292504"	492.140664	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl+CF3COOH"	148.962264
"1371757"	308.165724	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H-2H2O"	-35.012676
"1385973"	326.1757	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H-H2O"	-17.0027
"286753"	687.364076	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H"	1.007276
"679169"	1030.542476	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H"	1.007276
"1356255"	344.185676	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H"	1.007276
"131332"	344.185676	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2H"	2.014552
"569805"	515.774876	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2H"	2.014552
"1041885"	172.596476	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2H"	2.014552
"209788"	229.792876	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+3H"	3.021828
"647161"	344.185676	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+3H"	3.021828
"1166379"	115.400076	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+3H"	3.021828
"427465"	704.390623	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+NH4"	18.033823
"787728"	1047.569023	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+NH4"	18.033823
"1683332"	361.212223	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+NH4"	18.033823
"332339"	352.6989495	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H+NH4"	19.041099
"725123"	524.2881495	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H+NH4"	19.041099
"1483686"	181.1097495	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+NH4"	19.041099
"395804"	709.346018	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Na"	22.989218
"757891"	1052.524418	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+Na"	22.989218
"1607087"	366.167618	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na"	22.989218
"317125"	355.176647	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H+Na"	23.996494
"710637"	526.765847	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H+Na"	23.996494
"1462755"	183.587447	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+Na"	23.996494
"1053936"	122.72739	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2H+Na"	25.00377
"1257677"	376.211886	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+CH3OH+H"	33.033486
"377221"	725.319958	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+K"	38.963158
"741506"	1068.498358	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+K"	38.963158
"1542829"	382.141558	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K"	38.963158
"302923"	363.163617	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H+K"	39.970434
"694614"	534.752817	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H+K"	39.970434
"1450256"	191.574417	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+K"	39.970434
"247970"	728.390626	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+ACN+H"	42.033826
"1216669"	385.212226	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+ACN+H"	42.033826
"1202740"	193.109751	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+ACN+2H"	43.041102
"198892"	731.32796	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2Na-H"	44.97116
"640639"	1074.50636	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2Na-H"	44.97116
"1143051"	388.14956	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2Na-H"	44.97116
"188361"	366.167618	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2Na"	45.978436
"627605"	537.756818	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2Na"	45.978436
"1131111"	194.578418	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2Na"	45.978436
"1412570"	130.054704	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+2Na"	46.985712
"1445505"	390.191146	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+HCOOH"	47.012746
"235653"	371.20064	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+3H2O+2H"	56.04448
"1522808"	404.24319	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+IsoProp+H"	61.06479
"422866"	374.154588	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Na+K"	61.952376
"781317"	545.743788	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+Na+K"	61.952376
"1679834"	202.565388	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na+K"	61.952376
"264166"	750.372568	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+ACN+Na"	64.015768
"1239791"	407.194168	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+ACN+Na"	64.015768
"1724667"	407.217693	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+NH4+HCOOH"	64.039293
"1192214"	137.382018	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+3Na"	68.967654
"1665101"	412.173088	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na+HCOOH"	68.994688
"172246"	763.27584	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2K-H"	76.91904
"610713"	1106.45424	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2K-H"	76.91904
"1093039"	420.09744	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2K-H"	76.91904
"149853"	382.141558	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2K"	77.926316
"583701"	553.730758	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2K"	77.926316
"1075019"	210.552358	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2K"	77.926316
"1101179"	422.111992	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2K+H"	78.933592
"1347894"	422.199607	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+DMSO+H"	79.021207
"1019096"	426.238776	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2ACN+H"	83.060376
"1534547"	427.232408	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+IsoProp+Na+H"	84.054008
"1002089"	213.623026	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2ACN+2H"	84.067652
"1592218"	428.147028	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K+HCOOH"	84.968628
"1416418"	458.178538	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+CF3COOH"	115.000138
"1151457"	234.136301	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+3ACN+2H"	125.094202
"1698088"	475.205085	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+NH4+CF3COOH"	132.026685
"1637753"	480.16048	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na+CF3COOH"	136.98208
"1576685"	496.13442	"C09555"	"(-)-Laudanidine;(R)-Laudanine;5-((1R)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K+CF3COOH"	152.95602
"807053"	248.1412	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M"	0
"974667"	229.12281	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"63722"	164.420190666667	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"509480"	247.133924	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"882181"	81.7064573333333	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"2943"	247.133924	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"442504"	371.204524	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"821034"	123.063324	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"81389"	495.275124	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"521675"	743.416324	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"899482"	247.133924	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"47658"	512.301671	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"493421"	760.442871	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"875601"	264.160471	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"39128"	517.257066	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"477594"	765.398266	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"852480"	269.115866	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1620919"	269.115866	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"98178"	265.122263	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"546485"	389.192863	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"942066"	141.051663	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"270905"	531.251802	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"662961"	779.393002	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1280101"	283.110602	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"20471"	533.231006	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"458938"	781.372206	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"840021"	285.089806	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1566792"	285.089806	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"951395"	293.139394	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"370702"	541.280601	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"358598"	555.296251	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1504512"	307.155051	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"969867"	315.121351	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"122054"	283.110602	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"556147"	407.181202	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1024952"	159.040002	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1244894"	327.060085	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1305152"	329.116072	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1323388"	351.098029	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"911769"	361.126786	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1292614"	397.103464	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1371867"	213.128524	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1388270"	231.1385	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"287227"	497.289676	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"677457"	745.430876	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1356364"	249.148476	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"130348"	249.148476	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"569913"	373.219076	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1037979"	125.077876	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"206614"	166.434742666667	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"647633"	249.148476	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1165395"	83.7210093333333	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"427573"	514.316223	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"787840"	762.457423	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1684897"	266.175023	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"332081"	257.6617495	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"723893"	381.7323495	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1477429"	133.5911495	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"394821"	519.271618	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"756177"	767.412818	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1604643"	271.130418	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"317234"	260.139447	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"711841"	384.210047	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1462744"	136.068847	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1055626"	91.0483233333333	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1257546"	281.174686	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"378432"	535.245558	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"742346"	783.386758	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1545491"	287.104358	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"303033"	268.126417	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"692171"	392.197017	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1452189"	144.055817	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"244071"	538.316226	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1216779"	290.175026	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1202850"	145.591151	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"196815"	541.25356	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"641843"	789.39476	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1138789"	293.11236	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"183172"	271.130418	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"627715"	395.201018	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1128425"	147.059818	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1412680"	98.3756373333333	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1445564"	295.153946	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"235104"	276.16344	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1523570"	309.20599	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"420062"	279.117388	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"781426"	403.187988	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1680310"	155.046788	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"264643"	560.298168	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1238079"	312.156968	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1724778"	312.180493	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1191228"	105.702951333333	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1663309"	317.135888	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"171264"	573.20144	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"610823"	821.34264	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1089866"	325.06024	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"147774"	287.104358	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"587334"	411.174958	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1080598"	163.033758	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1103965"	327.074792	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1343629"	327.162407	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1016532"	331.201576	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1532471"	332.195208	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"998918"	166.104426	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1594518"	333.109828	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1419081"	363.141338	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1147551"	186.617701	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1698927"	380.167885	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1637863"	385.12328	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1576795"	401.09722	"C09556"	"Tamaulipin A"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"807163"	306.1467	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M"	0
"976320"	287.12831	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"65655"	203.090524	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"510684"	305.139424	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"885207"	101.041624	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"866"	305.139424	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"440549"	458.212774	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"819322"	152.066074	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"83322"	611.286124	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"521785"	917.432824	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"899592"	305.139424	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"48497"	628.312671	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"493531"	934.459371	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"877897"	322.165971	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"37051"	633.268066	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"474424"	939.414766	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"852590"	327.121366	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1619569"	327.121366	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"96100"	323.127763	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"545502"	476.201113	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"940110"	170.054413	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"272110"	647.262802	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"662343"	953.409502	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1276931"	341.116102	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"19488"	649.242006	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"457956"	955.388706	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"836852"	343.095306	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1566902"	343.095306	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"952598"	351.144894	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"369719"	657.291601	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"357979"	671.307251	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1505352"	365.160551	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"969977"	373.126851	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"119978"	341.116102	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"557350"	494.189452	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1027249"	188.042752	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1244640"	385.065585	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1305016"	387.121572	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1320326"	409.103529	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"917833"	419.132286	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1293088"	455.108964	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1369790"	271.134024	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1388016"	289.144	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"284056"	613.300676	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"676474"	919.447376	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1353192"	307.153976	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"129363"	307.153976	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"570385"	460.227326	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1041007"	154.080626	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"207089"	205.105076	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"651753"	307.153976	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1167692"	103.056176	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"430964"	630.327223	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"789773"	936.473923	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1685009"	324.180523	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"333287"	315.6672495	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"724979"	468.7405995	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1477707"	162.5938995	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"398211"	635.282618	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"754338"	941.429318	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1605119"	329.135918	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"318438"	318.144947	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"713045"	471.218297	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1463584"	165.071597	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1060112"	110.38349	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1259601"	339.180186	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"380365"	651.256558	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"745736"	957.403258	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1545602"	345.109858	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"302780"	326.131917	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"694470"	479.205267	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1452299"	173.058567	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"244181"	654.327226	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1219076"	348.180526	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1201867"	174.593901	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"199112"	657.26456	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"640131"	963.41126	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1137806"	351.11786	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"180002"	329.135918	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"626488"	482.209268	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1129628"	176.062568	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1410606"	117.710804	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1444182"	353.159446	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"234242"	334.16894	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1522668"	367.21149	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"420173"	337.122888	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"783723"	490.196238	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1678960"	184.049538	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"264387"	676.309168	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1239282"	370.162468	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1724888"	370.185993	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1192308"	125.038118	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1665403"	375.141388	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"171374"	689.21244	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"611906"	995.35914	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1091072"	383.06574	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"151165"	345.109858	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"591820"	498.183208	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1081801"	192.036508	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1109542"	385.080292	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1347021"	385.167907	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1018344"	389.207076	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1534768"	390.200708	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"1000122"	195.107176	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1594628"	391.115328	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1419191"	421.146838	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1149122"	215.620451	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1697947"	438.173385	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1639067"	443.12878	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1576905"	459.10272	"C09557"	"Tenulin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"807273"	357.194	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M"	0
"977524"	338.17561	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-H2O-H"	-19.01839
"63943"	237.122057333333	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M-3H"	-3.021828
"507514"	356.186724	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M-3H"	-3.021828
"882402"	118.057390666667	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-3H"	-3.021828
"325"	356.186724	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M-2H"	-2.014552
"441624"	534.783724	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M-2H"	-2.014552
"818089"	177.589724	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-2H"	-2.014552
"79783"	713.380724	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M-H"	-1.007276
"520801"	1070.574724	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M-H"	-1.007276
"897150"	356.186724	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-H"	-1.007276
"58455"	730.407271	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M-2H+NH4"	16.019271
"493641"	1087.601271	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M-2H+NH4"	16.019271
"873635"	373.213271	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-2H+NH4"	16.019271
"33882"	735.362666	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M-2H+Na"	20.974666
"474534"	1092.556666	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M-2H+Na"	20.974666
"850513"	378.168666	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-2H+Na"	20.974666
"1621870"	378.168666	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Na-2H"	20.974666
"98398"	374.175063	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M-H+Cl"	33.962126
"542332"	552.772063	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M-H+Cl"	33.962126
"934751"	195.578063	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-H+Cl"	33.962126
"272220"	749.357402	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+Cl"	34.969402
"662453"	1106.551402	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+Cl"	34.969402
"1275949"	392.163402	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Cl"	34.969402
"20691"	751.336606	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M-2H+K"	36.948606
"459158"	1108.530606	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M-2H+K"	36.948606
"836960"	394.142606	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-2H+K"	36.948606
"1560450"	394.142606	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+K-2H"	36.948606
"947240"	402.192194	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-H+HCOOH"	44.998194
"369829"	759.386201	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+HCOOH-H"	44.998201
"353716"	773.401851	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+Hac-H"	59.013851
"1501454"	416.207851	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Hac-H"	59.013851
"965712"	424.174151	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-H+NaCOOH"	66.980151
"117899"	392.163402	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+2Cl"	69.938804
"557460"	570.760402	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+2Cl"	69.938804
"1024080"	213.566402	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2Cl"	69.938804
"1244750"	436.112885	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Br"	78.918885
"1305006"	438.168872	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Cl+HCOOH"	80.974872
"1320001"	460.150829	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Cl+NaCOOH"	102.956829
"917943"	470.179586	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M-H+CF3COOH"	112.985586
"1295746"	506.156264	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Cl+CF3COOH"	148.962264
"1367952"	322.181324	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H-2H2O"	-35.012676
"1388126"	340.1913	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H-H2O"	-17.0027
"283026"	715.395276	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+H"	1.007276
"676008"	1072.589276	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+H"	1.007276
"1352575"	358.201276	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H"	1.007276
"129474"	358.201276	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+2H"	2.014552
"569038"	536.798276	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+2H"	2.014552
"1040389"	179.604276	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2H"	2.014552
"207563"	239.136609333333	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+3H"	3.021828
"650770"	358.201276	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+3H"	3.021828
"1168895"	120.071942666667	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+3H"	3.021828
"431074"	732.421823	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+NH4"	18.033823
"789883"	1089.615823	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+NH4"	18.033823
"1688399"	375.227823	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+NH4"	18.033823
"335584"	366.7145495	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+H+NH4"	19.041099
"725819"	545.3115495	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+H+NH4"	19.041099
"1479275"	188.1175495	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H+NH4"	19.041099
"398321"	737.377218	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+Na"	22.989218
"756033"	1094.571218	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+Na"	22.989218
"1606322"	380.183218	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Na"	22.989218
"321828"	369.192247	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+H+Na"	23.996494
"713155"	547.789247	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+H+Na"	23.996494
"1463694"	190.595247	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H+Na"	23.996494
"1059129"	127.399256666667	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2H+Na"	25.00377
"1260805"	390.227486	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+CH3OH+H"	33.033486
"381568"	753.351158	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+K"	38.963158
"745846"	1110.545158	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+K"	38.963158
"1546805"	396.157158	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+K"	38.963158
"305076"	377.179217	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+H+K"	39.970434
"695674"	555.776217	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+H+K"	39.970434
"1455690"	198.582217	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H+K"	39.970434
"245750"	756.421826	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+ACN+H"	42.033826
"1219916"	399.227826	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+ACN+H"	42.033826
"1201977"	200.117551	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+ACN+2H"	43.041102
"201410"	759.35916	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+2Na-H"	44.97116
"641335"	1116.55316	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+2Na-H"	44.97116
"1138280"	402.16516	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2Na-H"	44.97116
"180111"	380.183218	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+2Na"	45.978436
"624045"	558.780218	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+2Na"	45.978436
"1128646"	201.586218	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2Na"	45.978436
"1409623"	134.726570666667	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H+2Na"	46.985712
"1444536"	404.206746	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H+HCOOH"	47.012746
"233258"	385.21624	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+3H2O+2H"	56.04448
"1520226"	418.25879	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+IsoProp+H"	61.06479
"421377"	388.170188	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+Na+K"	61.952376
"776180"	566.767188	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+Na+K"	61.952376
"1675791"	209.573188	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Na+K"	61.952376
"263404"	778.403768	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+ACN+Na"	64.015768
"1240123"	421.209768	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+ACN+Na"	64.015768
"1723905"	421.233293	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+NH4+HCOOH"	64.039293
"1189258"	142.053884666667	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+3Na"	68.967654
"1664500"	426.188688	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Na+HCOOH"	68.994688
"172089"	791.30704	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+2K-H"	76.91904
"608856"	1148.50104	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+2K-H"	76.91904
"1092274"	434.11304	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2K-H"	76.91904
"147266"	396.157158	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"2M+2K"	77.926316
"590836"	574.754158	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"3M+2K"	77.926316
"1080819"	217.560158	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2K"	77.926316
"1111842"	436.127592	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2K+H"	78.933592
"1346037"	436.215207	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+DMSO+H"	79.021207
"1016752"	440.254376	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2ACN+H"	83.060376
"1535972"	441.248008	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+IsoProp+Na+H"	84.054008
"998046"	220.630826	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+2ACN+2H"	84.067652
"1593644"	442.162628	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+K+HCOOH"	84.968628
"1420393"	472.194138	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+H+CF3COOH"	115.000138
"1149232"	241.144101	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+3ACN+2H"	125.094202
"1698057"	489.220685	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+NH4+CF3COOH"	132.026685
"1638082"	494.17608	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+Na+CF3COOH"	136.98208
"1572272"	510.15002	"C09558"	"Laudanosine"	"C21H27NO4"	"357.194"	"M+K+CF3COOH"	152.95602
"807383"	322.1416	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M"	0
"979820"	303.12321	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-H2O-H"	-19.01839
"69156"	213.753790666667	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M-3H"	-3.021828
"514184"	321.134324	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M-3H"	-3.021828
"888708"	106.373257333333	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-3H"	-3.021828
"1816"	321.134324	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M-2H"	-2.014552
"443923"	482.205124	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M-2H"	-2.014552
"821361"	160.063524	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-2H"	-2.014552
"82809"	643.275924	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M-H"	-1.007276
"523098"	965.417524	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M-H"	-1.007276
"898718"	321.134324	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-H"	-1.007276
"56378"	660.302471	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M-2H+NH4"	16.019271
"492292"	982.444071	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M-2H+NH4"	16.019271
"876903"	338.160871	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-2H+NH4"	16.019271
"41646"	665.257866	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M-2H+Na"	20.974666
"481204"	987.399466	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M-2H+Na"	20.974666
"853539"	343.116266	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-2H+Na"	20.974666
"1628540"	343.116266	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Na-2H"	20.974666
"102881"	339.122663	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M-H+Cl"	33.962126
"546815"	500.193463	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M-H+Cl"	33.962126
"939964"	178.051863	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-H+Cl"	33.962126
"272330"	679.252602	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+Cl"	34.969402
"664749"	1001.394202	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+Cl"	34.969402
"1284806"	357.111002	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Cl"	34.969402
"24082"	681.231806	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M-2H+K"	36.948606
"463642"	1003.373406	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M-2H+K"	36.948606
"840350"	359.090206	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-2H+K"	36.948606
"1560559"	359.090206	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+K-2H"	36.948606
"949537"	367.139794	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-H+HCOOH"	44.998194
"373220"	689.281401	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+HCOOH-H"	44.998201
"354919"	703.297051	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+Hac-H"	59.013851
"1500470"	381.155451	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Hac-H"	59.013851
"963636"	389.121751	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-H+NaCOOH"	66.980151
"116916"	357.111002	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+2Cl"	69.938804
"555383"	518.181802	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+2Cl"	69.938804
"1026373"	196.040202	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2Cl"	69.938804
"1249232"	401.060485	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Br"	78.918885
"1306211"	403.116472	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Cl+HCOOH"	80.974872
"1321889"	425.098429	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Cl+NaCOOH"	102.956829
"919147"	435.127186	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M-H+CF3COOH"	112.985586
"1299866"	471.103864	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Cl+CF3COOH"	148.962264
"1370740"	287.128924	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H-2H2O"	-35.012676
"1392611"	305.1389	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H-H2O"	-17.0027
"292297"	645.290476	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+H"	1.007276
"681435"	967.432076	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+H"	1.007276
"1353774"	323.148876	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H"	1.007276
"129584"	323.148876	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+2H"	2.014552
"566960"	484.219676	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+2H"	2.014552
"1038551"	162.078076	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2H"	2.014552
"206580"	215.768342666667	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+3H"	3.021828
"651973"	323.148876	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+3H"	3.021828
"1169005"	108.387809333333	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+3H"	3.021828
"432277"	662.317023	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+NH4"	18.033823
"793273"	984.458623	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+NH4"	18.033823
"1688509"	340.175423	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+NH4"	18.033823
"338974"	331.6621495	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+H+NH4"	19.041099
"727022"	492.7329495	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+H+NH4"	19.041099
"1481207"	170.5913495	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H+NH4"	19.041099
"399524"	667.272418	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+Na"	22.989218
"761611"	989.414018	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+Na"	22.989218
"1610806"	345.130818	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Na"	22.989218
"319752"	334.139847	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+H+Na"	23.996494
"715452"	495.210647	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+H+Na"	23.996494
"1469271"	173.069047	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H+Na"	23.996494
"1058145"	115.715123333333	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2H+Na"	25.00377
"1259457"	355.175086	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+CH3OH+H"	33.033486
"386052"	683.246358	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+K"	38.963158
"745956"	1005.387958	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+K"	38.963158
"1546915"	361.104758	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+K"	38.963158
"304091"	342.126817	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+H+K"	39.970434
"697606"	503.197617	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+H+K"	39.970434
"1454706"	181.056017	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H+K"	39.970434
"246223"	686.317026	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+ACN+H"	42.033826
"1221483"	364.175426	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+ACN+H"	42.033826
"1204272"	182.591351	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+ACN+2H"	43.041102
"199698"	689.25436	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+2Na-H"	44.97116
"641445"	1011.39596	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+2Na-H"	44.97116
"1144586"	367.11276	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2Na-H"	44.97116
"186053"	345.130818	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+2Na"	45.978436
"626707"	506.201618	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+2Na"	45.978436
"1129122"	184.060018	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2Na"	45.978436
"1410461"	123.042437333333	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H+2Na"	46.985712
"1442213"	369.154346	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H+HCOOH"	47.012746
"230453"	350.16384	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+3H2O+2H"	56.04448
"1520337"	383.20639	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+IsoProp+H"	61.06479
"420029"	353.117788	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+Na+K"	61.952376
"776290"	514.188588	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+Na+K"	61.952376
"1672621"	192.046988	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Na+K"	61.952376
"261328"	708.298968	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+ACN+Na"	64.015768
"1235860"	386.157368	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+ACN+Na"	64.015768
"1722922"	386.180893	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+NH4+HCOOH"	64.039293
"1188275"	130.369751333333	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+3Na"	68.967654
"1661452"	391.136288	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Na+HCOOH"	68.994688
"169404"	721.20224	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+2K-H"	76.91904
"608967"	1043.34384	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+2K-H"	76.91904
"1088008"	399.06064	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2K-H"	76.91904
"144825"	361.104758	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"2M+2K"	77.926316
"588761"	522.175558	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"3M+2K"	77.926316
"1080928"	200.033958	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2K"	77.926316
"1113042"	401.075192	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2K+H"	78.933592
"1343959"	401.162807	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+DMSO+H"	79.021207
"1013582"	405.201976	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2ACN+H"	83.060376
"1531707"	406.195608	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+IsoProp+Na+H"	84.054008
"998156"	203.104626	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+2ACN+2H"	84.067652
"1592661"	407.110228	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+K+HCOOH"	84.968628
"1418318"	437.141738	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+H+CF3COOH"	115.000138
"1148614"	223.617901	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+3ACN+2H"	125.094202
"1698532"	454.168285	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+NH4+CF3COOH"	132.026685
"1638192"	459.12368	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+Na+CF3COOH"	136.98208
"1571776"	475.09762	"C09559"	"Tetraneurin A"	"C17H22O6"	"322.1416"	"M+K+CF3COOH"	152.95602
"807493"	324.1573	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M"	0
"977744"	305.13891	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-H2O-H"	-19.01839
"65986"	215.097590666667	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M-3H"	-3.021828
"506640"	323.150024	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M-3H"	-3.021828
"888818"	107.045157333333	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-3H"	-3.021828
"4113"	323.150024	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M-2H"	-2.014552
"441847"	485.228674	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M-2H"	-2.014552
"818555"	161.071374	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-2H"	-2.014552
"80004"	647.307324	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M-H"	-1.007276
"520293"	971.464624	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M-H"	-1.007276
"897735"	323.150024	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-H"	-1.007276
"56488"	664.333871	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M-2H+NH4"	16.019271
"492038"	988.491171	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M-2H+NH4"	16.019271
"879527"	340.176571	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-2H+NH4"	16.019271
"46619"	669.289266	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M-2H+Na"	20.974666
"481314"	993.446566	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M-2H+Na"	20.974666
"853649"	345.131966	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-2H+Na"	20.974666
"1628650"	345.131966	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Na-2H"	20.974666
"102991"	341.138363	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M-H+Cl"	33.962126
"546925"	503.217013	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M-H+Cl"	33.962126
"937159"	179.059713	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-H+Cl"	33.962126
"276814"	683.284002	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+Cl"	34.969402
"668140"	1007.441302	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+Cl"	34.969402
"1283824"	359.126702	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Cl"	34.969402
"24192"	685.263206	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M-2H+K"	36.948606
"462659"	1009.420506	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M-2H+K"	36.948606
"840460"	361.105906	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-2H+K"	36.948606
"1561762"	361.105906	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+K-2H"	36.948606
"950740"	369.155494	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-H+HCOOH"	44.998194
"372237"	693.312801	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+HCOOH-H"	44.998201
"355029"	707.328451	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+Hac-H"	59.013851
"1501673"	383.171151	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Hac-H"	59.013851
"964839"	391.137451	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-H+NaCOOH"	66.980151
"117026"	359.126702	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+2Cl"	69.938804
"555493"	521.205352	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+2Cl"	69.938804
"1025389"	197.048052	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2Cl"	69.938804
"1247155"	403.076185	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Br"	78.918885
"1307414"	405.132172	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Cl+HCOOH"	80.974872
"1320661"	427.114129	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Cl+NaCOOH"	102.956829
"919257"	437.142886	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M-H+CF3COOH"	112.985586
"1295965"	473.119564	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Cl+CF3COOH"	148.962264
"1372303"	289.144624	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H-2H2O"	-35.012676
"1390533"	307.1546	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H-H2O"	-17.0027
"285845"	649.321876	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+H"	1.007276
"682638"	973.479176	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+H"	1.007276
"1352790"	325.164576	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H"	1.007276
"128962"	325.164576	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+2H"	2.014552
"566824"	487.243226	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+2H"	2.014552
"1038781"	163.085926	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2H"	2.014552
"204863"	217.112142666667	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+3H"	3.021828
"645518"	325.164576	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+3H"	3.021828
"1164737"	109.059709333333	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+3H"	3.021828
"425095"	666.348423	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+NH4"	18.033823
"790101"	990.505723	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+NH4"	18.033823
"1686431"	342.191123	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+NH4"	18.033823
"337990"	333.6778495	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+H+NH4"	19.041099
"724945"	495.7564995	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+H+NH4"	19.041099
"1478156"	171.5991995	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H+NH4"	19.041099
"398540"	671.303818	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+Na"	22.989218
"756617"	995.461118	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+Na"	22.989218
"1605447"	347.146518	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Na"	22.989218
"323140"	336.155547	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+H+Na"	23.996494
"715560"	498.234197	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+H+Na"	23.996494
"1466100"	174.076897	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H+Na"	23.996494
"1060440"	116.387023333333	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2H+Na"	25.00377
"1259932"	357.190786	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+CH3OH+H"	33.033486
"386162"	687.277758	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+K"	38.963158
"744972"	1011.435058	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+K"	38.963158
"1547025"	363.120458	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+K"	38.963158
"301283"	344.142517	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+H+K"	39.970434
"695163"	506.221167	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+H+K"	39.970434
"1452627"	182.063867	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H+K"	39.970434
"242688"	690.348426	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+ACN+H"	42.033826
"1218314"	366.191126	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+ACN+H"	42.033826
"1201466"	183.599201	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+ACN+2H"	43.041102
"197252"	693.28576	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+2Na-H"	44.97116
"635719"	1017.44306	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+2Na-H"	44.97116
"1134124"	369.12846	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2Na-H"	44.97116
"180331"	347.146518	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+2Na"	45.978436
"624265"	509.225168	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+2Na"	45.978436
"1127770"	185.067868	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2Na"	45.978436
"1406923"	123.714337333333	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H+2Na"	46.985712
"1442319"	371.170046	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H+HCOOH"	47.012746
"230922"	352.17954	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+3H2O+2H"	56.04448
"1521174"	385.22209	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+IsoProp+H"	61.06479
"420138"	355.133488	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+Na+K"	61.952376
"776400"	517.212138	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+Na+K"	61.952376
"1668720"	193.054838	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Na+K"	61.952376
"258155"	712.330368	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+ACN+Na"	64.015768
"1235240"	388.173068	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+ACN+Na"	64.015768
"1723030"	388.196593	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+NH4+HCOOH"	64.039293
"1186197"	131.041651333333	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+3Na"	68.967654
"1658283"	393.151988	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Na+HCOOH"	68.994688
"166234"	725.23364	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+2K-H"	76.91904
"606890"	1049.39094	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+2K-H"	76.91904
"1088849"	401.07634	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2K-H"	76.91904
"146028"	363.120458	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"2M+2K"	77.926316
"586684"	525.199108	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"3M+2K"	77.926316
"1079945"	201.041808	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2K"	77.926316
"1112061"	403.090892	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2K+H"	78.933592
"1344070"	403.178507	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+DMSO+H"	79.021207
"1013693"	407.217676	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2ACN+H"	83.060376
"1530724"	408.211308	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+IsoProp+Na+H"	84.054008
"998266"	204.112476	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+2ACN+2H"	84.067652
"1590585"	409.125928	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+K+HCOOH"	84.968628
"1416242"	439.157438	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+H+CF3COOH"	115.000138
"1147262"	224.625751	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+3ACN+2H"	125.094202
"1697179"	456.183985	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+NH4+CF3COOH"	132.026685
"1635384"	461.13938	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+Na+CF3COOH"	136.98208
"1573224"	477.11332	"C09560"	"Tetraneurin E;Ambrosanolide"	"C17H24O6"	"324.1573"	"M+K+CF3COOH"	152.95602
"807603"	650.3302	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M"	0
"974938"	631.31181	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-H2O-H"	-19.01839
"65003"	432.546190666667	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M-3H"	-3.021828
"505656"	649.322924	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M-3H"	-3.021828
"885647"	215.769457333333	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-3H"	-3.021828
"3129"	649.322924	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M-2H"	-2.014552
"440863"	974.488024	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M-2H"	-2.014552
"818300"	324.157824	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-2H"	-2.014552
"80235"	1299.653124	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M-H"	-1.007276
"520040"	1949.983324	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M-H"	-1.007276
"895940"	649.322924	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-H"	-1.007276
"56598"	1316.679671	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M-2H+NH4"	16.019271
"495064"	1967.009871	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M-2H+NH4"	16.019271
"879309"	666.349471	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-2H+NH4"	16.019271
"45512"	1321.635066	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M-2H+Na"	20.974666
"481424"	1971.965266	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M-2H+Na"	20.974666
"852666"	671.304866	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-2H+Na"	20.974666
"1626573"	671.304866	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Na-2H"	20.974666
"99821"	667.311263	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M-H+Cl"	33.962126
"543755"	992.476363	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M-H+Cl"	33.962126
"939091"	342.146163	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-H+Cl"	33.962126
"276924"	1335.629802	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+Cl"	34.969402
"667157"	1985.960002	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+Cl"	34.969402
"1282841"	685.299602	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Cl"	34.969402
"26491"	1337.609006	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M-2H+K"	36.948606
"463862"	1987.939206	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M-2H+K"	36.948606
"838383"	687.278806	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-2H+K"	36.948606
"1567339"	687.278806	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+K-2H"	36.948606
"949757"	695.328394	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-H+HCOOH"	44.998194
"366882"	1345.658601	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+HCOOH-H"	44.998201
"351857"	1359.674251	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+Hac-H"	59.013851
"1501781"	709.344051	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Hac-H"	59.013851
"967137"	717.310351	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-H+NaCOOH"	66.980151
"120415"	685.299602	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+2Cl"	69.938804
"555603"	1010.464702	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+2Cl"	69.938804
"1025499"	360.134502	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2Cl"	69.938804
"1247265"	729.249085	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Br"	78.918885
"1306432"	731.305072	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Cl+HCOOH"	80.974872
"1319943"	753.287029	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Cl+NaCOOH"	102.956829
"919367"	763.315786	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M-H+CF3COOH"	112.985586
"1296075"	799.292464	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Cl+CF3COOH"	148.962264
"1372777"	615.317524	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H-2H2O"	-35.012676
"1392827"	633.3275	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H-H2O"	-17.0027
"292515"	1301.667676	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+H"	1.007276
"682748"	1951.997876	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+H"	1.007276
"1353632"	651.337476	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H"	1.007276
"127976"	651.337476	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+2H"	2.014552
"566571"	976.502576	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+2H"	2.014552
"1038894"	326.172376	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2H"	2.014552
"204389"	434.560742666667	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+3H"	3.021828
"644374"	651.337476	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+3H"	3.021828
"1163389"	217.784009333333	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+3H"	3.021828
"424842"	1318.694223	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+NH4"	18.033823
"790211"	1969.024423	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+NH4"	18.033823
"1685449"	668.364023	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+NH4"	18.033823
"335914"	659.8507495	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+H+NH4"	19.041099
"728337"	985.0158495	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+H+NH4"	19.041099
"1481063"	334.6856495	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H+NH4"	19.041099
"398651"	1323.649618	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+Na"	22.989218
"755633"	1973.979818	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+Na"	22.989218
"1604464"	673.319418	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Na"	22.989218
"314498"	662.328447	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+H+Na"	23.996494
"709109"	987.493547	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+H+Na"	23.996494
"1462684"	337.163347	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H+Na"	23.996494
"1061644"	225.111323333333	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2H+Na"	25.00377
"1262229"	683.363686	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+CH3OH+H"	33.033486
"386272"	1339.623558	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+K"	38.963158
"747269"	1989.953758	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+K"	38.963158
"1547135"	689.293358	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+K"	38.963158
"301758"	670.315417	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+H+K"	39.970434
"695639"	995.480517	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+H+K"	39.970434
"1453831"	345.150317	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H+K"	39.970434
"242434"	1342.694226	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+ACN+H"	42.033826
"1218424"	692.364026	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+ACN+H"	42.033826
"1202305"	346.685651	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+ACN+2H"	43.041102
"198455"	1345.63156	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+2Na-H"	44.97116
"636922"	1995.96176	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+2Na-H"	44.97116
"1135327"	695.30136	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2Na-H"	44.97116
"177888"	673.319418	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+2Na"	45.978436
"621095"	998.484518	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+2Na"	45.978436
"1123506"	348.154318	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2Na"	45.978436
"1408126"	232.438637333333	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H+2Na"	46.985712
"1442430"	697.342946	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H+HCOOH"	47.012746
"231032"	678.35244	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+3H2O+2H"	56.04448
"1518368"	711.39499	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+IsoProp+H"	61.06479
"417695"	681.306388	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+Na+K"	61.952376
"777604"	1006.471488	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+Na+K"	61.952376
"1668101"	356.141288	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Na+K"	61.952376
"259360"	1364.676168	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+ACN+Na"	64.015768
"1236443"	714.345968	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+ACN+Na"	64.015768
"1722047"	714.369493	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+NH4+HCOOH"	64.039293
"1185213"	239.765951333333	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+3Na"	68.967654
"1660578"	719.324888	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Na+HCOOH"	68.994688
"168530"	1377.57944	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+2K-H"	76.91904
"605907"	2027.90964	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+2K-H"	76.91904
"1093696"	727.24924	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2K-H"	76.91904
"148325"	689.293358	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"2M+2K"	77.926316
"587888"	1014.458458	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"3M+2K"	77.926316
"1077868"	364.128258	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2K"	77.926316
"1112170"	729.263792	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2K+H"	78.933592
"1341993"	729.351407	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+DMSO+H"	79.021207
"1011615"	733.390576	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2ACN+H"	83.060376
"1531928"	734.384208	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+IsoProp+Na+H"	84.054008
"999471"	367.198926	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+2ACN+2H"	84.067652
"1592882"	735.298828	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+K+HCOOH"	84.968628
"1415258"	765.330338	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+H+CF3COOH"	115.000138
"1147736"	387.712201	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+3ACN+2H"	125.094202
"1697050"	782.356885	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+NH4+CF3COOH"	132.026685
"1635859"	787.31228	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+Na+CF3COOH"	136.98208
"1572241"	803.28622	"C09561"	"Thapsigargin"	"C34H50O12"	"650.3302"	"M+K+CF3COOH"	152.95602
"810995"	248.1412	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M"	0
"981245"	229.12281	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"68393"	164.420190666667	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"507955"	247.133924	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"889038"	81.7064573333333	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"6519"	247.133924	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"442800"	371.204524	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"820600"	123.063324	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"82779"	495.275124	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"521971"	743.416324	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"896497"	247.133924	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"53792"	512.301671	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"488610"	760.442871	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"878934"	264.160471	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"44894"	517.257066	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"484694"	765.398266	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"859337"	269.115866	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1629964"	269.115866	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"103212"	265.122263	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"546052"	389.192863	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"937378"	141.051663	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"279221"	531.251802	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"669455"	779.393002	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1282951"	283.110602	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"26601"	533.231006	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"467254"	781.372206	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"845055"	285.089806	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1567452"	285.089806	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"952055"	293.139394	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"372092"	541.280601	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"353058"	555.296251	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1504076"	307.155051	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"968340"	315.121351	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"116152"	283.110602	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"554620"	407.181202	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1028891"	159.040002	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1249561"	327.060085	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1305814"	329.116072	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1320760"	351.098029	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"919477"	361.126786	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1298373"	397.103464	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1375439"	213.128524	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1391845"	231.1385	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"292626"	497.289676	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"682858"	745.430876	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1354106"	249.148476	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"127358"	249.148476	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"567291"	373.219076	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1040463"	125.077876	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"204633"	166.434742666667	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"646836"	249.148476	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1164594"	83.7210093333333	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"424585"	514.316223	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"787039"	762.457423	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1684098"	266.175023	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"330430"	257.6617495	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"724436"	381.7323495	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1477148"	133.5911495	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"396574"	519.271618	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"754769"	767.412818	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1603600"	271.130418	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"315338"	260.139447	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"708126"	384.210047	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1463039"	136.068847	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1058473"	91.0483233333333	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1260151"	281.174686	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"382008"	535.245558	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"745192"	783.386758	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1547245"	287.104358	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"299682"	268.126417	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"692833"	392.197017	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1447745"	144.055817	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"240357"	538.316226	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1218533"	290.175026	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1203509"	145.591151	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"196379"	541.25356	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"632659"	789.39476	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1134342"	293.11236	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"175811"	271.130418	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"616465"	395.201018	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1121429"	147.059818	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1402400"	98.3756373333333	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1442539"	295.153946	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"231141"	276.16344	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1520298"	309.20599	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"418899"	279.117388	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"775526"	403.187988	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1669305"	155.046788	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"263845"	560.298168	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1237646"	312.156968	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1721064"	312.180493	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1185323"	105.702951333333	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1661781"	317.135888	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"169733"	573.20144	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"606016"	821.34264	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1093805"	325.06024	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"147344"	287.104358	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"589092"	411.174958	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1080164"	163.033758	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1114466"	327.074792	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1343197"	327.162407	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1012819"	331.201576	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1532038"	332.195208	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"999581"	166.104426	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1597366"	333.109828	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1416462"	363.141338	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1147155"	186.617701	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1697399"	380.167885	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1635605"	385.12328	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1572715"	401.09722	"C09562"	"Tomentosin"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"808916"	522.2465	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M"	0
"975887"	503.22811	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-H2O-H"	-19.01839
"68503"	347.157057333333	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M-3H"	-3.021828
"508065"	521.239224	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M-3H"	-3.021828
"889148"	173.074890666667	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-3H"	-3.021828
"6629"	521.239224	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M-2H"	-2.014552
"442910"	782.362474	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M-2H"	-2.014552
"820709"	260.115974	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-2H"	-2.014552
"82889"	1043.485724	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M-H"	-1.007276
"522447"	1565.732224	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M-H"	-1.007276
"896119"	521.239224	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-H"	-1.007276
"54631"	1060.512271	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M-2H+NH4"	16.019271
"489084"	1582.758771	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M-2H+NH4"	16.019271
"877103"	538.265771	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-2H+NH4"	16.019271
"44278"	1065.467666	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M-2H+Na"	20.974666
"484197"	1587.714166	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M-2H+Na"	20.974666
"859447"	543.221166	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-2H+Na"	20.974666
"1631168"	543.221166	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Na-2H"	20.974666
"103322"	539.227563	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M-H+Cl"	33.962126
"546891"	800.350813	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M-H+Cl"	33.962126
"934208"	278.104313	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-H+Cl"	33.962126
"279331"	1079.462402	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+Cl"	34.969402
"669565"	1601.708902	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+Cl"	34.969402
"1285248"	557.215902	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Cl"	34.969402
"25617"	1081.441606	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M-2H+K"	36.948606
"468457"	1603.688106	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M-2H+K"	36.948606
"842978"	559.195106	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-2H+K"	36.948606
"1567561"	559.195106	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+K-2H"	36.948606
"952165"	567.244694	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-H+HCOOH"	44.998194
"371473"	1089.491201	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+HCOOH-H"	44.998201
"353168"	1103.506851	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+Hac-H"	59.013851
"1503093"	581.260351	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Hac-H"	59.013851
"968086"	589.226651	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-H+NaCOOH"	66.980151
"121728"	557.215902	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+2Cl"	69.938804
"559103"	818.339152	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+2Cl"	69.938804
"1027908"	296.092652	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2Cl"	69.938804
"1251859"	601.165385	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Br"	78.918885
"1307747"	603.221372	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Cl+HCOOH"	80.974872
"1320506"	625.203329	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Cl+NaCOOH"	102.956829
"922867"	635.232086	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M-H+CF3COOH"	112.985586
"1299576"	671.208764	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Cl+CF3COOH"	148.962264
"1374456"	487.233824	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H-2H2O"	-35.012676
"1394141"	505.2438	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H-H2O"	-17.0027
"293827"	1045.500276	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+H"	1.007276
"684061"	1567.746776	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+H"	1.007276
"1359316"	523.253776	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H"	1.007276
"128198"	523.253776	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+2H"	2.014552
"568494"	784.377026	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+2H"	2.014552
"1041666"	262.130526	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2H"	2.014552
"204948"	349.171609333333	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+3H"	3.021828
"644996"	523.253776	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+3H"	3.021828
"1164340"	175.089442666667	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+3H"	3.021828
"428341"	1062.526823	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+NH4"	18.033823
"788244"	1584.773323	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+NH4"	18.033823
"1682385"	540.280323	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+NH4"	18.033823
"333580"	531.7670495	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+H+NH4"	19.041099
"725639"	792.8902995	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+H+NH4"	19.041099
"1477511"	270.6437995	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H+NH4"	19.041099
"396684"	1067.482218	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+Na"	22.989218
"756217"	1589.728718	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+Na"	22.989218
"1604317"	545.235718	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Na"	22.989218
"316904"	534.244747	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+H+Na"	23.996494
"709693"	795.367997	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+H+Na"	23.996494
"1466429"	273.121497	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H+Na"	23.996494
"1057490"	182.416756666667	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2H+Na"	25.00377
"1257706"	555.279986	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+CH3OH+H"	33.033486
"381025"	1083.456158	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+K"	38.963158
"740928"	1605.702658	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+K"	38.963158
"1541888"	561.209658	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+K"	38.963158
"300157"	542.231717	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+H+K"	39.970434
"693307"	803.354967	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+H+K"	39.970434
"1448219"	281.108467	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H+K"	39.970434
"238644"	1086.526826	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+ACN+H"	42.033826
"1215362"	564.280326	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+ACN+H"	42.033826
"1203618"	282.643801	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+ACN+2H"	43.041102
"194304"	1089.46416	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+2Na-H"	44.97116
"632769"	1611.71066	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+2Na-H"	44.97116
"1134453"	567.21766	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2Na-H"	44.97116
"176282"	545.235718	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+2Na"	45.978436
"620217"	806.358968	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+2Na"	45.978436
"1121539"	284.112468	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2Na"	45.978436
"1403602"	189.744070666667	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H+2Na"	46.985712
"1433901"	569.259246	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H+HCOOH"	47.012746
"225783"	550.26874	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+3H2O+2H"	56.04448
"1517128"	583.31129	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+IsoProp+H"	61.06479
"417915"	553.222688	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+Na+K"	61.952376
"774542"	814.345938	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+Na+K"	61.952376
"1671967"	292.099438	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Na+K"	61.952376
"263953"	1108.508768	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+ACN+Na"	64.015768
"1237756"	586.262268	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+ACN+Na"	64.015768
"1721174"	586.285793	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+NH4+HCOOH"	64.039293
"1184340"	197.071384666667	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+3Na"	68.967654
"1660798"	591.241188	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Na+HCOOH"	68.994688
"169843"	1121.41204	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+2K-H"	76.91904
"609405"	1643.65854	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+2K-H"	76.91904
"1095008"	599.16554	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2K-H"	76.91904
"148547"	561.209658	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"2M+2K"	77.926316
"585921"	822.332908	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"3M+2K"	77.926316
"1078086"	300.086408	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2K"	77.926316
"1110202"	601.180092	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2K+H"	78.933592
"1341119"	601.267707	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+DMSO+H"	79.021207
"1010743"	605.306876	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2ACN+H"	83.060376
"1531055"	606.300508	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+IsoProp+Na+H"	84.054008
"1000784"	303.157076	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+2ACN+2H"	84.067652
"1596384"	607.215128	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+K+HCOOH"	84.968628
"1414384"	637.246638	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+H+CF3COOH"	115.000138
"1147257"	323.670351	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+3ACN+2H"	125.094202
"1697508"	654.273185	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+NH4+CF3COOH"	132.026685
"1634985"	659.22858	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+Na+CF3COOH"	136.98208
"1572461"	675.20252	"C09563"	"Trilobolide"	"C27H38O10"	"522.2465"	"M+K+CF3COOH"	152.95602
"814495"	290.1518	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M"	0
"984747"	271.13341	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-H2O-H"	-19.01839
"70803"	192.427257333333	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M-3H"	-3.021828
"512550"	289.144524	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M-3H"	-3.021828
"885979"	95.7099906666667	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-3H"	-3.021828
"10019"	289.144524	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H"	-2.014552
"450673"	434.220424	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H"	-2.014552
"819727"	144.068624	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H"	-2.014552
"84093"	579.296324	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M-H"	-1.007276
"523650"	869.448124	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M-H"	-1.007276
"897566"	289.144524	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-H"	-1.007276
"56928"	596.322871	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H+NH4"	16.019271
"490651"	886.474671	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H+NH4"	16.019271
"879153"	306.171071	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H+NH4"	16.019271
"45119"	601.278266	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H+Na"	20.974666
"486011"	891.430066	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H+Na"	20.974666
"863813"	311.126466	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H+Na"	20.974666
"1633710"	311.126466	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na-2H"	20.974666
"109471"	307.132863	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M-H+Cl"	33.962126
"547366"	452.208763	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M-H+Cl"	33.962126
"940151"	162.056963	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+Cl"	33.962126
"278349"	615.273002	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Cl"	34.969402
"670770"	905.424802	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+Cl"	34.969402
"1284266"	325.121202	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl"	34.969402
"27916"	617.252206	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H+K"	36.948606
"465290"	907.404006	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H+K"	36.948606
"844187"	327.100406	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H+K"	36.948606
"1564395"	327.100406	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+K-2H"	36.948606
"951183"	335.149994	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+HCOOH"	44.998194
"371586"	625.301801	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+HCOOH-H"	44.998201
"354375"	639.317451	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Hac-H"	59.013851
"1502116"	349.165651	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Hac-H"	59.013851
"966375"	357.131951	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+NaCOOH"	66.980151
"117469"	325.121202	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2Cl"	69.938804
"560308"	470.197102	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2Cl"	69.938804
"1030204"	180.045302	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2Cl"	69.938804
"1248690"	369.070685	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Br"	78.918885
"1308950"	371.126672	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl+HCOOH"	80.974872
"1323896"	393.108629	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl+NaCOOH"	102.956829
"919698"	403.137386	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+CF3COOH"	112.985586
"1297500"	439.114064	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl+CF3COOH"	148.962264
"1373473"	255.139124	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H-2H2O"	-35.012676
"1394250"	273.1491	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H-H2O"	-17.0027
"293937"	581.310876	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H"	1.007276
"684171"	871.462676	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H"	1.007276
"1358333"	291.159076	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H"	1.007276
"130127"	291.159076	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2H"	2.014552
"569696"	436.234976	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2H"	2.014552
"1043963"	146.083176	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2H"	2.014552
"208588"	194.441809333333	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+3H"	3.021828
"651429"	291.159076	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+3H"	3.021828
"1168460"	97.7245426666667	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+3H"	3.021828
"430639"	598.337423	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+NH4"	18.033823
"792729"	888.489223	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+NH4"	18.033823
"1687965"	308.185623	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+NH4"	18.033823
"334056"	299.6723495	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H+NH4"	19.041099
"729760"	444.7482495	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H+NH4"	19.041099
"1478232"	154.5964495	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+NH4"	19.041099
"397153"	603.292818	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Na"	22.989218
"756449"	893.444618	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+Na"	22.989218
"1604792"	313.141018	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na"	22.989218
"314948"	302.150047	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H+Na"	23.996494
"709439"	447.225947	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H+Na"	23.996494
"1467633"	157.074147	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+Na"	23.996494
"1058694"	105.051856666667	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2H+Na"	25.00377
"1268028"	323.185286	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+CH3OH+H"	33.033486
"389883"	619.266758	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+K"	38.963158
"748692"	909.418558	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+K"	38.963158
"1544184"	329.114958	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+K"	38.963158
"301361"	310.137017	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H+K"	39.970434
"692323"	455.212917	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H+K"	39.970434
"1446142"	165.061117	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+K"	39.970434
"240577"	622.337426	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+ACN+H"	42.033826
"1215471"	332.185626	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+ACN+H"	42.033826
"1196075"	166.596451	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+ACN+2H"	43.041102
"195506"	625.27476	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2Na-H"	44.97116
"633973"	915.42656	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2Na-H"	44.97116
"1136387"	335.12296	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2Na-H"	44.97116
"178582"	313.141018	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2Na"	45.978436
"621423"	458.216918	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2Na"	45.978436
"1120556"	168.065118	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2Na"	45.978436
"1399827"	112.379170666667	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+2Na"	46.985712
"1438385"	337.164546	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+HCOOH"	47.012746
"226987"	318.17404	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+3H2O+2H"	56.04448
"1512859"	351.21659	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+IsoProp+H"	61.06479
"420212"	321.127988	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Na+K"	61.952376
"780121"	466.203888	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+Na+K"	61.952376
"1673171"	176.052088	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na+K"	61.952376
"265157"	644.319368	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+ACN+Na"	64.015768
"1237864"	354.167568	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+ACN+Na"	64.015768
"1724564"	354.191093	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+NH4+HCOOH"	64.039293
"1189918"	119.706484666667	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+3Na"	68.967654
"1665038"	359.146488	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na+HCOOH"	68.994688
"169953"	657.22264	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2K-H"	76.91904
"611338"	947.37444	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2K-H"	76.91904
"1096211"	367.07084	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2K-H"	76.91904
"156679"	329.114958	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2K"	77.926316
"592591"	474.190858	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2K"	77.926316
"1076010"	184.039058	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2K"	77.926316
"1105939"	369.085392	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2K+H"	78.933592
"1340133"	369.173007	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+DMSO+H"	79.021207
"1011945"	373.212176	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2ACN+H"	83.060376
"1527885"	374.205808	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+IsoProp+Na+H"	84.054008
"997615"	187.109726	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+2ACN+2H"	84.067652
"1598679"	375.120428	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+K+HCOOH"	84.968628
"1415953"	405.151938	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+CF3COOH"	115.000138
"1151348"	207.623001	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+3ACN+2H"	125.094202
"1697018"	422.178485	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+NH4+CF3COOH"	132.026685
"1635461"	427.13388	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na+CF3COOH"	136.98208
"1580955"	443.10782	"C09564"	"Tulipinolide"	"C17H22O4"	"290.1518"	"M+K+CF3COOH"	152.95602
"808043"	313.1678	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M"	0
"982670"	294.14941	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-H2O-H"	-19.01839
"70913"	207.771257333333	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M-3H"	-3.021828
"508286"	312.160524	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M-3H"	-3.021828
"886087"	103.381990666667	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-3H"	-3.021828
"6849"	312.160524	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M-2H"	-2.014552
"444223"	468.744424	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M-2H"	-2.014552
"819472"	155.576624	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-2H"	-2.014552
"80558"	625.328324	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M-H"	-1.007276
"522303"	938.496124	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M-H"	-1.007276
"898284"	312.160524	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-H"	-1.007276
"50111"	642.354871	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M-2H+NH4"	16.019271
"490033"	955.522671	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M-2H+NH4"	16.019271
"879385"	329.187071	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-2H+NH4"	16.019271
"46558"	647.310266	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M-2H+Na"	20.974666
"485145"	960.478066	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M-2H+Na"	20.974666
"864045"	334.142466	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-2H+Na"	20.974666
"1633210"	334.142466	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Na-2H"	20.974666
"109011"	330.148863	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M-H+Cl"	33.962126
"547112"	486.732763	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M-H+Cl"	33.962126
"940992"	173.564963	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-H+Cl"	33.962126
"280647"	661.305002	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+Cl"	34.969402
"670881"	974.472802	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+Cl"	34.969402
"1285469"	348.137202	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Cl"	34.969402
"30902"	663.284206	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M-2H+K"	36.948606
"468680"	976.452006	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M-2H+K"	36.948606
"842111"	350.116406	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-2H+K"	36.948606
"1568877"	350.116406	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+K-2H"	36.948606
"952387"	358.165994	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-H+HCOOH"	44.998194
"372791"	671.333801	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+HCOOH-H"	44.998201
"354485"	685.349451	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+Hac-H"	59.013851
"1503319"	372.181651	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Hac-H"	59.013851
"969767"	380.147951	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-H+NaCOOH"	66.980151
"121953"	348.137202	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+2Cl"	69.938804
"561512"	504.721102	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+2Cl"	69.938804
"1032500"	191.553302	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2Cl"	69.938804
"1249893"	392.086685	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Br"	78.918885
"1310153"	394.142672	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Cl+HCOOH"	80.974872
"1326560"	416.124629	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Cl+NaCOOH"	102.956829
"916524"	426.153386	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M-H+CF3COOH"	112.985586
"1299800"	462.130064	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Cl+CF3COOH"	148.962264
"1379053"	278.155124	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H-2H2O"	-35.012676
"1388898"	296.1651	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H-H2O"	-17.0027
"292954"	627.342876	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+H"	1.007276
"684283"	940.510676	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+H"	1.007276
"1357352"	314.175076	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H"	1.007276
"132423"	314.175076	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+2H"	2.014552
"571994"	470.758976	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+2H"	2.014552
"1044073"	157.591176	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2H"	2.014552
"213071"	209.785809333333	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+3H"	3.021828
"652633"	314.175076	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+3H"	3.021828
"1168571"	105.396542666667	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+3H"	3.021828
"431841"	644.369423	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+NH4"	18.033823
"790652"	957.537223	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+NH4"	18.033823
"1686982"	331.201623	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+NH4"	18.033823
"337448"	322.6883495	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+H+NH4"	19.041099
"728776"	479.2722495	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+H+NH4"	19.041099
"1481503"	166.1044495	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H+NH4"	19.041099
"397995"	649.324818	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+Na"	22.989218
"757898"	962.492618	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+Na"	22.989218
"1605997"	336.157018	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Na"	22.989218
"316031"	325.166047	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+H+Na"	23.996494
"711738"	481.749947	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+H+Na"	23.996494
"1468838"	168.582147	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H+Na"	23.996494
"1065365"	112.723856666667	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2H+Na"	25.00377
"1272028"	346.201286	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+CH3OH+H"	33.033486
"387807"	665.298758	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+K"	38.963158
"747709"	978.466558	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+K"	38.963158
"1545387"	352.130958	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+K"	38.963158
"302565"	333.153017	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+H+K"	39.970434
"693892"	489.736917	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+H+K"	39.970434
"1447346"	176.569117	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H+K"	39.970434
"240687"	668.369426	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+ACN+H"	42.033826
"1217769"	355.201626	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+ACN+H"	42.033826
"1196550"	178.104451	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+ACN+2H"	43.041102
"198898"	671.30676	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+2Na-H"	44.97116
"637363"	984.47456	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+2Na-H"	44.97116
"1139776"	358.13896	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2Na-H"	44.97116
"186348"	336.157018	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+2Na"	45.978436
"619349"	492.740918	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+2Na"	45.978436
"1123948"	179.573118	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2Na"	45.978436
"1404190"	120.051170666667	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H+2Na"	46.985712
"1436306"	360.180546	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H+HCOOH"	47.012746
"224179"	341.19004	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+3H2O+2H"	56.04448
"1514062"	374.23259	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+IsoProp+H"	61.06479
"420322"	344.143988	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+Na+K"	61.952376
"781324"	500.727888	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+Na+K"	61.952376
"1675468"	187.560088	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Na+K"	61.952376
"261987"	690.351368	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+ACN+Na"	64.015768
"1236881"	377.183568	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+ACN+Na"	64.015768
"1722488"	377.207093	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+NH4+HCOOH"	64.039293
"1190028"	127.378484666667	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+3Na"	68.967654
"1659922"	382.162488	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Na+HCOOH"	68.994688
"168969"	703.25464	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+2K-H"	76.91904
"610717"	1016.42244	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+2K-H"	76.91904
"1091948"	390.08684	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2K-H"	76.91904
"154234"	352.130958	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"2M+2K"	77.926316
"589421"	508.714858	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"3M+2K"	77.926316
"1073929"	195.547058	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2K"	77.926316
"1107140"	392.101392	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2K+H"	78.933592
"1344619"	392.189007	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+DMSO+H"	79.021207
"1017523"	396.228176	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2ACN+H"	83.060376
"1534556"	397.221808	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+IsoProp+Na+H"	84.054008
"995537"	198.617726	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+2ACN+2H"	84.067652
"1591133"	398.136428	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+K+HCOOH"	84.968628
"1414606"	428.167938	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+H+CF3COOH"	115.000138
"1147175"	219.131001	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+3ACN+2H"	125.094202
"1697241"	445.194485	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+NH4+CF3COOH"	132.026685
"1635571"	450.14988	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+Na+CF3COOH"	136.98208
"1581065"	466.12382	"C09565"	"Laurifine"	"C19H23NO3"	"313.1678"	"M+K+CF3COOH"	152.95602
"808153"	290.1518	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M"	0
"977674"	271.13341	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-H2O-H"	-19.01839
"71019"	192.427257333333	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M-3H"	-3.021828
"508396"	289.144524	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M-3H"	-3.021828
"888385"	95.7099906666667	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-3H"	-3.021828
"9145"	289.144524	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H"	-2.014552
"442146"	434.220424	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H"	-2.014552
"820675"	144.068624	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H"	-2.014552
"82127"	579.296324	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M-H"	-1.007276
"520224"	869.448124	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M-H"	-1.007276
"898030"	289.144524	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-H"	-1.007276
"49492"	596.322871	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H+NH4"	16.019271
"489050"	886.474671	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H+NH4"	16.019271
"878766"	306.171071	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H+NH4"	16.019271
"46667"	601.278266	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H+Na"	20.974666
"484162"	891.430066	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H+Na"	20.974666
"863058"	311.126466	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H+Na"	20.974666
"1630405"	311.126466	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na-2H"	20.974666
"108028"	307.132863	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M-H+Cl"	33.962126
"546493"	452.208763	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M-H+Cl"	33.962126
"940008"	162.056963	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+Cl"	33.962126
"279658"	615.273002	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Cl"	34.969402
"674271"	905.424802	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+Cl"	34.969402
"1281206"	325.121202	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl"	34.969402
"28136"	617.252206	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M-2H+K"	36.948606
"467698"	907.404006	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M-2H+K"	36.948606
"844408"	327.100406	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-2H+K"	36.948606
"1563520"	327.100406	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+K-2H"	36.948606
"950310"	335.149994	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+HCOOH"	44.998194
"369619"	625.301801	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+HCOOH-H"	44.998201
"353502"	639.317451	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Hac-H"	59.013851
"1500144"	349.165651	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Hac-H"	59.013851
"969876"	357.131951	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+NaCOOH"	66.980151
"118783"	325.121202	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2Cl"	69.938804
"557250"	470.197102	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2Cl"	69.938804
"1028237"	180.045302	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2Cl"	69.938804
"1250003"	369.070685	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Br"	78.918885
"1310263"	371.126672	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl+HCOOH"	80.974872
"1321566"	393.108629	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl+NaCOOH"	102.956829
"916634"	403.137386	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M-H+CF3COOH"	112.985586
"1298816"	439.114064	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Cl+CF3COOH"	148.962264
"1376977"	255.139124	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H-2H2O"	-35.012676
"1391194"	273.1491	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H-H2O"	-17.0027
"293065"	581.310876	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H"	1.007276
"684393"	871.462676	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H"	1.007276
"1358554"	291.159076	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H"	1.007276
"128160"	291.159076	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2H"	2.014552
"569918"	436.234976	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2H"	2.014552
"1038716"	146.083176	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2H"	2.014552
"210993"	194.441809333333	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+3H"	3.021828
"651648"	291.159076	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+3H"	3.021828
"1170869"	97.7245426666667	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+3H"	3.021828
"430861"	598.337423	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+NH4"	18.033823
"790761"	888.489223	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+NH4"	18.033823
"1686000"	308.185623	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+NH4"	18.033823
"335373"	299.6723495	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H+NH4"	19.041099
"727793"	444.7482495	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H+NH4"	19.041099
"1481615"	154.5964495	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+NH4"	19.041099
"398107"	603.292818	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Na"	22.989218
"760194"	893.444618	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+Na"	22.989218
"1607200"	313.141018	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na"	22.989218
"315898"	302.150047	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H+Na"	23.996494
"714035"	447.225947	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H+Na"	23.996494
"1468948"	157.074147	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+Na"	23.996494
"1064381"	105.051856666667	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2H+Na"	25.00377
"1271530"	323.185286	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+CH3OH+H"	33.033486
"387917"	619.266758	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+K"	38.963158
"747819"	909.418558	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+K"	38.963158
"1548777"	329.114958	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+K"	38.963158
"300851"	310.137017	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+H+K"	39.970434
"694366"	455.212917	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+H+K"	39.970434
"1446723"	165.061117	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+K"	39.970434
"237513"	622.337426	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+ACN+H"	42.033826
"1211682"	332.185626	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+ACN+H"	42.033826
"1196292"	166.596451	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+ACN+2H"	43.041102
"191353"	625.27476	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2Na-H"	44.97116
"635288"	915.42656	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2Na-H"	44.97116
"1139887"	335.12296	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2Na-H"	44.97116
"177712"	313.141018	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2Na"	45.978436
"619459"	458.216918	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2Na"	45.978436
"1122964"	168.065118	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2Na"	45.978436
"1400290"	112.379170666667	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+2Na"	46.985712
"1436417"	337.164546	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+HCOOH"	47.012746
"223926"	318.17404	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+3H2O+2H"	56.04448
"1514172"	351.21659	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+IsoProp+H"	61.06479
"420432"	321.127988	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+Na+K"	61.952376
"780340"	466.203888	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+Na+K"	61.952376
"1675576"	176.052088	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na+K"	61.952376
"261002"	644.319368	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+ACN+Na"	64.015768
"1234805"	354.167568	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+ACN+Na"	64.015768
"1726974"	354.191093	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+NH4+HCOOH"	64.039293
"1189045"	119.706484666667	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+3Na"	68.967654
"1663313"	359.146488	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na+HCOOH"	68.994688
"169080"	657.22264	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2K-H"	76.91904
"609734"	947.37444	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2K-H"	76.91904
"1092058"	367.07084	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2K-H"	76.91904
"154343"	329.114958	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"2M+2K"	77.926316
"589531"	474.190858	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"3M+2K"	77.926316
"1075133"	184.039058	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2K"	77.926316
"1106158"	369.085392	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2K+H"	78.933592
"1346916"	369.173007	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+DMSO+H"	79.021207
"1016540"	373.212176	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2ACN+H"	83.060376
"1534666"	374.205808	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+IsoProp+Na+H"	84.054008
"995648"	187.109726	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+2ACN+2H"	84.067652
"1592337"	375.120428	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+K+HCOOH"	84.968628
"1415200"	405.151938	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+H+CF3COOH"	115.000138
"1147921"	207.623001	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+3ACN+2H"	125.094202
"1698932"	422.178485	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+NH4+CF3COOH"	132.026685
"1636045"	427.13388	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+Na+CF3COOH"	136.98208
"1581175"	443.10782	"C09566"	"epi-Tulipinolide"	"C17H22O4"	"290.1518"	"M+K+CF3COOH"	152.95602
"808263"	275.0582	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M"	0
"975233"	256.03981	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-H2O-H"	-19.01839
"67849"	182.364857333333	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M-3H"	-3.021828
"513974"	274.050924	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M-3H"	-3.021828
"888495"	90.6787906666667	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-3H"	-3.021828
"9255"	274.050924	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M-2H"	-2.014552
"443349"	411.580024	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M-2H"	-2.014552
"820057"	136.521824	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-2H"	-2.014552
"83330"	549.109124	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M-H"	-1.007276
"521066"	824.167324	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M-H"	-1.007276
"897048"	274.050924	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-H"	-1.007276
"48510"	566.135671	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M-2H+NH4"	16.019271
"489162"	841.193871	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M-2H+NH4"	16.019271
"875717"	291.077471	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-2H+NH4"	16.019271
"42524"	571.091066	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M-2H+Na"	20.974666
"478803"	846.149266	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M-2H+Na"	20.974666
"853325"	296.032866	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-2H+Na"	20.974666
"1633430"	296.032866	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Na-2H"	20.974666
"109636"	292.039263	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M-H+Cl"	33.962126
"549644"	429.568363	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M-H+Cl"	33.962126
"941576"	154.510163	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-H+Cl"	33.962126
"281590"	585.085802	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+Cl"	34.969402
"672193"	860.144002	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+Cl"	34.969402
"1283503"	310.027602	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Cl"	34.969402
"28248"	587.065006	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M-2H+K"	36.948606
"468173"	862.123206	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M-2H+K"	36.948606
"843425"	312.006806	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-2H+K"	36.948606
"1564724"	312.006806	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+K-2H"	36.948606
"951512"	320.056394	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-H+HCOOH"	44.998194
"369729"	595.114601	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+HCOOH-H"	44.998201
"354707"	609.130251	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+Hac-H"	59.013851
"1497705"	334.072051	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Hac-H"	59.013851
"968893"	342.038351	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-H+NaCOOH"	66.980151
"117800"	310.027602	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+2Cl"	69.938804
"557360"	447.556702	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+2Cl"	69.938804
"1026524"	172.498502	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2Cl"	69.938804
"1247927"	353.977085	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Br"	78.918885
"1305999"	356.033072	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Cl+HCOOH"	80.974872
"1321676"	378.015029	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Cl+NaCOOH"	102.956829
"916380"	388.043786	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M-H+CF3COOH"	112.985586
"1293456"	424.020464	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Cl+CF3COOH"	148.962264
"1373804"	240.045524	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H-2H2O"	-35.012676
"1391301"	258.0555	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H-H2O"	-17.0027
"293175"	551.123676	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+H"	1.007276
"684503"	826.181876	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+H"	1.007276
"1355385"	276.065476	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H"	1.007276
"127179"	276.065476	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+2H"	2.014552
"568931"	413.594576	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+2H"	2.014552
"1040282"	138.536376	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2H"	2.014552
"212197"	184.379409333333	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+3H"	3.021828
"648477"	276.065476	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+3H"	3.021828
"1168792"	92.6933426666667	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+3H"	3.021828
"429876"	568.150223	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+NH4"	18.033823
"790870"	843.208423	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+NH4"	18.033823
"1688296"	293.092023	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+NH4"	18.033823
"333296"	284.5787495	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+H+NH4"	19.041099
"726809"	422.1078495	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+H+NH4"	19.041099
"1481725"	147.0496495	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H+NH4"	19.041099
"399311"	573.105618	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+Na"	22.989218
"759211"	848.163818	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+Na"	22.989218
"1608403"	298.047418	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Na"	22.989218
"316254"	287.056447	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+H+Na"	23.996494
"716332"	424.585547	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+H+Na"	23.996494
"1469058"	149.527347	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H+Na"	23.996494
"1063398"	100.020656666667	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2H+Na"	25.00377
"1267268"	308.091686	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+CH3OH+H"	33.033486
"386935"	589.079558	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+K"	38.963158
"747929"	864.137758	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+K"	38.963158
"1549981"	314.021358	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+K"	38.963158
"298676"	295.043417	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+H+K"	39.970434
"692652"	432.572517	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+H+K"	39.970434
"1446834"	157.514317	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H+K"	39.970434
"237622"	592.150226	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+ACN+H"	42.033826
"1211792"	317.092026	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+ACN+H"	42.033826
"1196769"	159.049651	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+ACN+2H"	43.041102
"192559"	595.08756	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+2Na-H"	44.97116
"632117"	870.14576	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+2Na-H"	44.97116
"1135624"	320.02936	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2Na-H"	44.97116
"180009"	298.047418	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+2Na"	45.978436
"618476"	435.576518	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+2Na"	45.978436
"1118700"	160.518318	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2Na"	45.978436
"1399307"	107.347970666667	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H+2Na"	46.985712
"1433247"	322.070946	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H+HCOOH"	47.012746
"224036"	303.08044	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+3H2O+2H"	56.04448
"1513189"	336.12299	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+IsoProp+H"	61.06479
"415074"	306.034388	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+Na+K"	61.952376
"781543"	443.563488	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+Na+K"	61.952376
"1677872"	168.505288	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Na+K"	61.952376
"262205"	614.132168	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+ACN+Na"	64.015768
"1236008"	339.073968	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+ACN+Na"	64.015768
"1725989"	339.097493	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+NH4+HCOOH"	64.039293
"1191341"	114.675284666667	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+3Na"	68.967654
"1663422"	344.052888	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Na+HCOOH"	68.994688
"168096"	627.03544	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+2K-H"	76.91904
"609844"	902.09364	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+2K-H"	76.91904
"1091075"	351.97724	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2K-H"	76.91904
"154453"	314.021358	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"2M+2K"	77.926316
"589641"	451.550458	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"3M+2K"	77.926316
"1072330"	176.492258	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2K"	77.926316
"1106268"	353.991792	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2K+H"	78.933592
"1349214"	354.079407	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+DMSO+H"	79.021207
"1015557"	358.118576	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2ACN+H"	83.060376
"1534776"	359.112208	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+IsoProp+Na+H"	84.054008
"995757"	179.562926	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+2ACN+2H"	84.067652
"1593540"	360.026828	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+K+HCOOH"	84.968628
"1415189"	390.058338	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+H+CF3COOH"	115.000138
"1148032"	200.076201	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+3ACN+2H"	125.094202
"1697218"	407.084885	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+NH4+CF3COOH"	132.026685
"1635790"	412.04028	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+Na+CF3COOH"	136.98208
"1579098"	428.01422	"C09567"	"Liriodenine;Oxoushinsunine"	"C17H9NO3"	"275.0582"	"M+K+CF3COOH"	152.95602
"811654"	322.1416	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M"	0
"978625"	303.12321	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-H2O-H"	-19.01839
"70147"	213.753790666667	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M-3H"	-3.021828
"514084"	321.134324	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M-3H"	-3.021828
"888605"	106.373257333333	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-3H"	-3.021828
"13863"	321.134324	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M-2H"	-2.014552
"444553"	482.205124	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M-2H"	-2.014552
"821261"	160.063524	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-2H"	-2.014552
"83440"	643.275924	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M-H"	-1.007276
"522999"	965.417524	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M-H"	-1.007276
"899712"	321.134324	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-H"	-1.007276
"56275"	660.302471	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M-2H+NH4"	16.019271
"492555"	982.444071	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M-2H+NH4"	16.019271
"878986"	338.160871	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-2H+NH4"	16.019271
"42634"	665.257866	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M-2H+Na"	20.974666
"478913"	987.399466	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M-2H+Na"	20.974666
"853435"	343.116266	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-2H+Na"	20.974666
"1630627"	343.116266	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Na-2H"	20.974666
"107153"	339.122663	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M-H+Cl"	33.962126
"548417"	500.193463	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M-H+Cl"	33.962126
"939864"	178.051863	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-H+Cl"	33.962126
"280610"	679.252602	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+Cl"	34.969402
"670116"	1001.394202	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+Cl"	34.969402
"1284705"	357.111002	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Cl"	34.969402
"25076"	681.231806	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M-2H+K"	36.948606
"465732"	1003.373406	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M-2H+K"	36.948606
"843535"	359.090206	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-2H+K"	36.948606
"1563741"	359.090206	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+K-2H"	36.948606
"952718"	367.139794	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-H+HCOOH"	44.998194
"366558"	689.281401	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+HCOOH-H"	44.998201
"353724"	703.297051	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+Hac-H"	59.013851
"1498544"	381.155451	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Hac-H"	59.013851
"966815"	389.121751	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-H+NaCOOH"	66.980151
"116815"	357.111002	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+2Cl"	69.938804
"557470"	518.181802	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+2Cl"	69.938804
"1028457"	196.040202	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2Cl"	69.938804
"1246214"	401.060485	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Br"	78.918885
"1305257"	403.116472	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Cl+HCOOH"	80.974872
"1326890"	425.098429	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Cl+NaCOOH"	102.956829
"911991"	435.127186	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M-H+CF3COOH"	112.985586
"1292836"	471.103864	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Cl+CF3COOH"	148.962264
"1373914"	287.128924	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H-2H2O"	-35.012676
"1393598"	305.1389	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H-H2O"	-17.0027
"291098"	645.290476	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+H"	1.007276
"683520"	967.432076	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+H"	1.007276
"1354402"	323.148876	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H"	1.007276
"126558"	323.148876	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+2H"	2.014552
"571228"	484.219676	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+2H"	2.014552
"1043308"	162.078076	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2H"	2.014552
"212308"	215.768342666667	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+3H"	3.021828
"649680"	323.148876	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+3H"	3.021828
"1166716"	108.387809333333	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+3H"	3.021828
"432172"	662.317023	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+NH4"	18.033823
"792075"	984.458623	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+NH4"	18.033823
"1688408"	340.175423	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+NH4"	18.033823
"336686"	331.6621495	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+H+NH4"	19.041099
"729107"	492.7329495	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+H+NH4"	19.041099
"1481836"	170.5913495	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H+NH4"	19.041099
"397234"	667.272418	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+Na"	22.989218
"762603"	989.414018	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+Na"	22.989218
"1608514"	345.130818	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Na"	22.989218
"318551"	334.139847	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+H+Na"	23.996494
"710974"	495.210647	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+H+Na"	23.996494
"1471355"	173.069047	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H+Na"	23.996494
"1063509"	115.715123333333	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2H+Na"	25.00377
"1261906"	355.175086	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+CH3OH+H"	33.033486
"388138"	683.246358	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+K"	38.963158
"748039"	1005.387958	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+K"	38.963158
"1550091"	361.104758	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+K"	38.963158
"299978"	342.126817	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+H+K"	39.970434
"693492"	503.197617	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+H+K"	39.970434
"1446217"	181.056017	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H+K"	39.970434
"238461"	686.317026	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+ACN+H"	42.033826
"1213723"	364.175426	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+ACN+H"	42.033826
"1196879"	182.591351	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+ACN+2H"	43.041102
"193031"	689.25436	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+2Na-H"	44.97116
"634414"	1011.39596	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+2Na-H"	44.97116
"1137921"	367.11276	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2Na-H"	44.97116
"177203"	345.130818	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+2Na"	45.978436
"616396"	506.201618	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+2Na"	45.978436
"1118810"	184.060018	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2Na"	45.978436
"1401241"	123.042437333333	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H+2Na"	46.985712
"1437733"	369.154346	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H+HCOOH"	47.012746
"227063"	350.16384	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+3H2O+2H"	56.04448
"1514395"	383.20639	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+IsoProp+H"	61.06479
"418464"	353.117788	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+Na+K"	61.952376
"779463"	514.188588	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+Na+K"	61.952376
"1676887"	192.046988	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Na+K"	61.952376
"261220"	708.298968	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+ACN+Na"	64.015768
"1235021"	386.157368	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+ACN+Na"	64.015768
"1722817"	386.180893	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+NH4+HCOOH"	64.039293
"1191451"	130.369751333333	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+3Na"	68.967654
"1662438"	391.136288	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Na+HCOOH"	68.994688
"172339"	721.20224	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+2K-H"	76.91904
"607767"	1043.34384	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+2K-H"	76.91904
"1091185"	399.06064	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2K-H"	76.91904
"151283"	361.104758	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"2M+2K"	77.926316
"588658"	522.175558	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"3M+2K"	77.926316
"1074262"	200.033958	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2K"	77.926316
"1106377"	401.075192	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2K+H"	78.933592
"1350785"	401.162807	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+DMSO+H"	79.021207
"1018947"	405.201976	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2ACN+H"	83.060376
"1538167"	406.195608	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+IsoProp+Na+H"	84.054008
"996959"	203.104626	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+2ACN+2H"	84.067652
"1593651"	407.110228	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+K+HCOOH"	84.968628
"1416033"	437.141738	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+H+CF3COOH"	115.000138
"1149602"	223.617901	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+3ACN+2H"	125.094202
"1699153"	454.168285	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+NH4+CF3COOH"	132.026685
"1638089"	459.12368	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+Na+CF3COOH"	136.98208
"1579208"	475.09762	"C09568"	"epi-Tulipinolide diepoxide"	"C17H22O6"	"322.1416"	"M+K+CF3COOH"	152.95602
"811764"	297.1001	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M"	0
"978735"	278.08171	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-H2O-H"	-19.01839
"70257"	197.059457333333	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M-3H"	-3.021828
"513101"	296.092824	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M-3H"	-3.021828
"891995"	98.0260906666667	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-3H"	-3.021828
"14215"	296.092824	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M-2H"	-2.014552
"447943"	444.642874	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M-2H"	-2.014552
"823557"	147.542774	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-2H"	-2.014552
"87924"	593.192924	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M-H"	-1.007276
"523109"	890.293024	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M-H"	-1.007276
"897633"	296.092824	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-H"	-1.007276
"57478"	610.219471	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M-2H+NH4"	16.019271
"493758"	907.319571	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M-2H+NH4"	16.019271
"875936"	313.119371	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-2H+NH4"	16.019271
"42744"	615.174866	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M-2H+Na"	20.974666
"475743"	912.274966	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M-2H+Na"	20.974666
"851358"	318.074766	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-2H+Na"	20.974666
"1629643"	318.074766	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Na-2H"	20.974666
"107263"	314.081163	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M-H+Cl"	33.962126
"547433"	462.631213	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M-H+Cl"	33.962126
"939244"	165.531113	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-H+Cl"	33.962126
"279993"	629.169602	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+Cl"	34.969402
"671319"	926.269702	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+Cl"	34.969402
"1285180"	332.069502	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Cl"	34.969402
"25186"	631.148806	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M-2H+K"	36.948606
"465842"	928.248906	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M-2H+K"	36.948606
"842547"	334.048706	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-2H+K"	36.948606
"1566035"	334.048706	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+K-2H"	36.948606
"953918"	342.098294	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-H+HCOOH"	44.998194
"372132"	639.198401	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+HCOOH-H"	44.998201
"356018"	653.214051	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+Hac-H"	59.013851
"1498653"	356.113951	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Hac-H"	59.013851
"970204"	364.080251	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-H+NaCOOH"	66.980151
"114736"	332.069502	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+2Cl"	69.938804
"555392"	480.619552	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+2Cl"	69.938804
"1028567"	183.519452	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2Cl"	69.938804
"1247417"	376.018985	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Br"	78.918885
"1305125"	378.074972	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Cl+HCOOH"	80.974872
"1327002"	400.056929	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Cl+NaCOOH"	102.956829
"913683"	410.085686	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M-H+CF3COOH"	112.985586
"1299873"	446.062364	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Cl+CF3COOH"	148.962264
"1374024"	262.087424	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H-2H2O"	-35.012676
"1389334"	280.0974	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H-H2O"	-17.0027
"284887"	595.207476	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+H"	1.007276
"679618"	892.307576	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+H"	1.007276
"1354145"	298.107376	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H"	1.007276
"131775"	298.107376	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+2H"	2.014552
"567685"	446.657426	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+2H"	2.014552
"1043418"	149.557326	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2H"	2.014552
"216791"	199.074009333333	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+3H"	3.021828
"658176"	298.107376	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+3H"	3.021828
"1171198"	100.040642666667	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+3H"	3.021828
"437752"	612.234023	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+NH4"	18.033823
"794373"	909.334123	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+NH4"	18.033823
"1690702"	315.133923	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+NH4"	18.033823
"338981"	306.6206495	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+H+NH4"	19.041099
"729216"	455.1706995	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+H+NH4"	19.041099
"1481944"	158.0705995	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H+NH4"	19.041099
"400624"	617.189418	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+Na"	22.989218
"762713"	914.289518	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+Na"	22.989218
"1605344"	320.089318	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Na"	22.989218
"320848"	309.098347	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+H+Na"	23.996494
"714365"	457.648397	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+H+Na"	23.996494
"1463811"	160.548297	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H+Na"	23.996494
"1063619"	107.367956666667	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2H+Na"	25.00377
"1264203"	330.133586	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+CH3OH+H"	33.033486
"386062"	633.163358	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+K"	38.963158
"748149"	930.263458	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+K"	38.963158
"1550202"	336.063258	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+K"	38.963158
"300452"	317.085317	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+H+K"	39.970434
"693966"	465.635367	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+H+K"	39.970434
"1448149"	168.535267	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H+K"	39.970434
"238205"	636.234026	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+ACN+H"	42.033826
"1213104"	339.133926	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+ACN+H"	42.033826
"1195532"	170.070601	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+ACN+2H"	43.041102
"192778"	639.17136	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+2Na-H"	44.97116
"635618"	936.27146	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+2Na-H"	44.97116
"1138031"	342.07126	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2Na-H"	44.97116
"175853"	320.089318	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+2Na"	45.978436
"614318"	468.639368	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+2Na"	45.978436
"1119283"	171.539268	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2Na"	45.978436
"1401350"	114.695270666667	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H+2Na"	46.985712
"1433467"	344.112846	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H+HCOOH"	47.012746
"224256"	325.12234	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+3H2O+2H"	56.04448
"1511589"	358.16489	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+IsoProp+H"	61.06479
"412006"	328.076288	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+Na+K"	61.952376
"778477"	476.626338	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+Na+K"	61.952376
"1668244"	179.526238	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Na+K"	61.952376
"252942"	658.215968	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+ACN+Na"	64.015768
"1227473"	361.115868	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+ACN+Na"	64.015768
"1717459"	361.139393	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+NH4+HCOOH"	64.039293
"1183176"	122.022584666667	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+3Na"	68.967654
"1661455"	366.094788	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Na+HCOOH"	68.994688
"171965"	671.11924	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+2K-H"	76.91904
"603503"	968.21934	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+2K-H"	76.91904
"1091295"	374.01914	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2K-H"	76.91904
"153580"	336.063258	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"2M+2K"	77.926316
"588768"	484.613308	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"3M+2K"	77.926316
"1071094"	187.513208	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2K"	77.926316
"1105395"	376.033692	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2K+H"	78.933592
"1348341"	376.121307	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+DMSO+H"	79.021207
"1017964"	380.160476	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2ACN+H"	83.060376
"1537184"	381.154108	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+IsoProp+Na+H"	84.054008
"998161"	190.583876	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+2ACN+2H"	84.067652
"1593760"	382.068728	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+K+HCOOH"	84.968628
"1416143"	412.100238	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+H+CF3COOH"	115.000138
"1150805"	211.097151	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+3ACN+2H"	125.094202
"1700356"	429.126785	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+NH4+CF3COOH"	132.026685
"1640386"	434.08218	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+Na+CF3COOH"	136.98208
"1579318"	450.05612	"C09569"	"Longifolonine"	"C17H15NO4"	"297.1001"	"M+K+CF3COOH"	152.95602
"812968"	294.1103	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M"	0
"979938"	275.09191	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-H2O-H"	-19.01839
"73647"	195.066257333333	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M-3H"	-3.021828
"516488"	293.103024	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M-3H"	-3.021828
"893929"	97.0294906666667	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-3H"	-3.021828
"15053"	293.103024	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M-2H"	-2.014552
"453520"	440.158174	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M-2H"	-2.014552
"828041"	146.047874	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-2H"	-2.014552
"90221"	587.213324	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M-H"	-1.007276
"522125"	881.323624	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M-H"	-1.007276
"901024"	293.103024	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-H"	-1.007276
"58681"	604.239871	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M-2H+NH4"	16.019271
"496054"	898.350171	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M-2H+NH4"	16.019271
"873859"	310.129571	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-2H+NH4"	16.019271
"42854"	609.195266	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M-2H+Na"	20.974666
"475853"	903.305566	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M-2H+Na"	20.974666
"856935"	315.084966	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-2H+Na"	20.974666
"1631577"	315.084966	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Na-2H"	20.974666
"108467"	311.091363	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M-H+Cl"	33.962126
"547907"	458.146513	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M-H+Cl"	33.962126
"941178"	164.036213	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-H+Cl"	33.962126
"280102"	623.190002	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+Cl"	34.969402
"668149"	917.300302	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+Cl"	34.969402
"1285290"	329.079702	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Cl"	34.969402
"29304"	625.169206	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M-2H+K"	36.948606
"465953"	919.279506	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M-2H+K"	36.948606
"843752"	331.058906	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-2H+K"	36.948606
"1566145"	331.058906	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+K-2H"	36.948606
"955853"	339.108494	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-H+HCOOH"	44.998194
"372242"	633.218801	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+HCOOH-H"	44.998201
"358314"	647.234451	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+Hac-H"	59.013851
"1504961"	353.124151	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Hac-H"	59.013851
"972137"	361.090451	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-H+NaCOOH"	66.980151
"119221"	329.079702	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+2Cl"	69.938804
"557688"	476.134852	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+2Cl"	69.938804
"1031595"	182.024552	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2Cl"	69.938804
"1248256"	373.029185	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Br"	78.918885
"1310703"	375.085172	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Cl+HCOOH"	80.974872
"1327113"	397.067129	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Cl+NaCOOH"	102.956829
"917074"	407.095886	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M-H+CF3COOH"	112.985586
"1294880"	443.072564	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Cl+CF3COOH"	148.962264
"1370854"	259.097624	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H-2H2O"	-35.012676
"1386528"	277.1076	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H-H2O"	-17.0027
"284512"	589.227876	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+H"	1.007276
"677176"	883.338176	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+H"	1.007276
"1352794"	295.117576	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H"	1.007276
"127143"	295.117576	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+2H"	2.014552
"566333"	442.172726	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+2H"	2.014552
"1042800"	148.062426	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2H"	2.014552
"215808"	197.080809333333	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+3H"	3.021828
"658286"	295.117576	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+3H"	3.021828
"1169120"	99.0440426666667	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+3H"	3.021828
"435674"	606.254423	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+NH4"	18.033823
"800315"	900.364723	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+NH4"	18.033823
"1696773"	312.144123	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+NH4"	18.033823
"343466"	303.6308495	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+H+NH4"	19.041099
"733702"	450.6859995	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+H+NH4"	19.041099
"1487521"	156.5756995	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H+NH4"	19.041099
"400734"	611.209818	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+Na"	22.989218
"761731"	905.320118	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+Na"	22.989218
"1610922"	317.099518	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Na"	22.989218
"323145"	306.108547	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+H+Na"	23.996494
"720673"	453.163697	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+H+Na"	23.996494
"1471576"	159.053397	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H+Na"	23.996494
"1068150"	106.371356666667	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2H+Na"	25.00377
"1272417"	327.143786	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+CH3OH+H"	33.033486
"388360"	627.183758	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+K"	38.963158
"750448"	921.294058	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+K"	38.963158
"1552502"	333.073458	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+K"	38.963158
"300199"	314.095517	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+H+K"	39.970434
"698816"	461.150667	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+H+K"	39.970434
"1454824"	167.040367	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H+K"	39.970434
"242331"	630.254426	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+ACN+H"	42.033826
"1218321"	336.144126	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+ACN+H"	42.033826
"1197466"	168.575701	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+ACN+2H"	43.041102
"192888"	633.19176	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+2Na-H"	44.97116
"633176"	927.30206	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+2Na-H"	44.97116
"1135954"	339.08146	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2Na-H"	44.97116
"181433"	317.099518	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+2Na"	45.978436
"615890"	464.154668	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+2Na"	45.978436
"1120125"	170.044368	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2Na"	45.978436
"1401461"	113.698670666667	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H+2Na"	46.985712
"1433577"	341.123046	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H+HCOOH"	47.012746
"222544"	322.13254	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+3H2O+2H"	56.04448
"1510605"	355.17509	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+IsoProp+H"	61.06479
"411023"	325.086488	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+Na+K"	61.952376
"775307"	472.141638	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+Na+K"	61.952376
"1666773"	178.031338	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Na+K"	61.952376
"253418"	652.236368	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+ACN+Na"	64.015768
"1226367"	358.126068	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+ACN+Na"	64.015768
"1718663"	358.149593	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+NH4+HCOOH"	64.039293
"1181829"	121.025984666667	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+3Na"	68.967654
"1655004"	363.104988	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Na+HCOOH"	68.994688
"169520"	665.13964	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+2K-H"	76.91904
"603613"	959.24994	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+2K-H"	76.91904
"1091405"	371.02934	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2K-H"	76.91904
"152597"	333.073458	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"2M+2K"	77.926316
"591065"	480.128608	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"3M+2K"	77.926316
"1073388"	186.018308	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2K"	77.926316
"1103317"	373.043892	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2K+H"	78.933592
"1347358"	373.131507	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+DMSO+H"	79.021207
"1019168"	377.170676	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2ACN+H"	83.060376
"1535108"	378.164308	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+IsoProp+Na+H"	84.054008
"1002648"	189.088976	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+2ACN+2H"	84.067652
"1594963"	379.078928	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+K+HCOOH"	84.968628
"1416249"	409.110438	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+H+CF3COOH"	115.000138
"1150915"	209.602251	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+3ACN+2H"	125.094202
"1697913"	426.136985	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+NH4+CF3COOH"	132.026685
"1640496"	431.09238	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+Na+CF3COOH"	136.98208
"1578335"	447.06632	"C09570"	"Tutin"	"C15H18O6"	"294.1103"	"M+K+CF3COOH"	152.95602
"811984"	249.1729	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M"	0
"975675"	230.15451	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-H2O-H"	-19.01839
"66103"	165.107990666667	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M-3H"	-3.021828
"512224"	248.165624	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M-3H"	-3.021828
"892215"	82.0503573333333	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-3H"	-3.021828
"12976"	248.165624	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M-2H"	-2.014552
"450350"	372.752074	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M-2H"	-2.014552
"823777"	123.579174	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-2H"	-2.014552
"92886"	497.338524	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M-H"	-1.007276
"523330"	746.511424	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M-H"	-1.007276
"899674"	248.165624	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-H"	-1.007276
"58791"	514.365071	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M-2H+NH4"	16.019271
"496164"	763.537971	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M-2H+NH4"	16.019271
"873969"	265.192171	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-2H+NH4"	16.019271
"44423"	519.320466	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M-2H+Na"	20.974666
"475963"	768.493366	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M-2H+Na"	20.974666
"857046"	270.147566	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-2H+Na"	20.974666
"1631687"	270.147566	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Na-2H"	20.974666
"108212"	266.153963	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M-H+Cl"	33.962126
"547045"	390.740413	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M-H+Cl"	33.962126
"940560"	141.567513	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-H+Cl"	33.962126
"281669"	533.315202	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+Cl"	34.969402
"671538"	782.488102	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+Cl"	34.969402
"1285401"	284.142302	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Cl"	34.969402
"30143"	535.294406	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M-2H+K"	36.948606
"467152"	784.467306	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M-2H+K"	36.948606
"844955"	286.121506	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-2H+K"	36.948606
"1565161"	286.121506	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+K-2H"	36.948606
"955235"	294.171094	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-H+HCOOH"	44.998194
"374540"	543.344001	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+HCOOH-H"	44.998201
"359154"	557.359651	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+Hac-H"	59.013851
"1506164"	308.186751	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Hac-H"	59.013851
"971885"	316.153051	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-H+NaCOOH"	66.980151
"124072"	284.142302	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+2Cl"	69.938804
"558892"	408.728752	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+2Cl"	69.938804
"1030976"	159.555852	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2Cl"	69.938804
"1249460"	328.091785	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Br"	78.918885
"1309719"	330.147772	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Cl+HCOOH"	80.974872
"1327222"	352.129729	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Cl+NaCOOH"	102.956829
"917184"	362.158486	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M-H+CF3COOH"	112.985586
"1294990"	398.135164	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Cl+CF3COOH"	148.962264
"1371328"	214.160224	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H-2H2O"	-35.012676
"1384086"	232.1702	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H-H2O"	-17.0027
"287053"	499.353076	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+H"	1.007276
"678381"	748.525976	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+H"	1.007276
"1354364"	250.180176	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H"	1.007276
"127617"	250.180176	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+2H"	2.014552
"566202"	374.766626	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+2H"	2.014552
"1037552"	125.593726	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2H"	2.014552
"215918"	167.122542666667	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+3H"	3.021828
"655478"	250.180176	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+3H"	3.021828
"1172508"	84.0649093333333	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+3H"	3.021828
"434687"	516.379623	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+NH4"	18.033823
"800917"	765.552523	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+NH4"	18.033823
"1695666"	267.206723	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+NH4"	18.033823
"343213"	258.6934495	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+H+NH4"	19.041099
"731625"	383.2798995	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+H+NH4"	19.041099
"1487630"	134.1069995	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H+NH4"	19.041099
"404127"	521.335018	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+Na"	22.989218
"764029"	770.507918	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+Na"	22.989218
"1613220"	272.162118	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Na"	22.989218
"325441"	261.171147	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+H+Na"	23.996494
"722323"	385.757597	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+H+Na"	23.996494
"1476879"	136.584697	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H+Na"	23.996494
"1068179"	91.3922233333333	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2H+Na"	25.00377
"1272653"	282.206386	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+CH3OH+H"	33.033486
"389564"	537.308958	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+K"	38.963158
"751652"	786.481858	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+K"	38.963158
"1554800"	288.136058	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+K"	38.963158
"302132"	269.158117	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+H+K"	39.970434
"697833"	393.744567	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+H+K"	39.970434
"1454935"	144.571667	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H+K"	39.970434
"239160"	540.379626	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+ACN+H"	42.033826
"1215150"	291.206726	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+ACN+H"	42.033826
"1199036"	146.107001	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+ACN+2H"	43.041102
"192999"	543.31696	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+2Na-H"	44.97116
"637662"	792.48986	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+2Na-H"	44.97116
"1139345"	294.14406	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2Na-H"	44.97116
"174983"	272.162118	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+2Na"	45.978436
"615635"	396.748568	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+2Na"	45.978436
"1116588"	147.575668	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2Na"	45.978436
"1400479"	98.7195373333333	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H+2Na"	46.985712
"1436969"	296.185646	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H+HCOOH"	47.012746
"220468"	277.19514	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+3H2O+2H"	56.04448
"1509256"	310.23769	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+IsoProp+H"	61.06479
"411498"	280.149088	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+Na+K"	61.952376
"774324"	404.735538	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+Na+K"	61.952376
"1666639"	155.562638	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Na+K"	61.952376
"253524"	562.361568	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+ACN+Na"	64.015768
"1226223"	313.188668	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+ACN+Na"	64.015768
"1716946"	313.212193	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+NH4+HCOOH"	64.039293
"1181571"	106.046851333333	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+3Na"	68.967654
"1653654"	318.167588	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Na+HCOOH"	68.994688
"165256"	575.26484	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+2K-H"	76.91904
"607003"	824.43774	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+2K-H"	76.91904
"1094796"	326.09194	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2K-H"	76.91904
"149426"	288.136058	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"2M+2K"	77.926316
"590082"	412.722508	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"3M+2K"	77.926316
"1074594"	163.549608	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2K"	77.926316
"1103429"	328.106492	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2K+H"	78.933592
"1344189"	328.194107	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+DMSO+H"	79.021207
"1019278"	332.233276	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2ACN+H"	83.060376
"1536312"	333.226908	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+IsoProp+Na+H"	84.054008
"1001664"	166.620276	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+2ACN+2H"	84.067652
"1596165"	334.141528	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+K+HCOOH"	84.968628
"1421829"	364.173038	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+H+CF3COOH"	115.000138
"1148107"	187.133551	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+3ACN+2H"	125.094202
"1699115"	381.199585	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+NH4+CF3COOH"	132.026685
"1640606"	386.15498	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+Na+CF3COOH"	136.98208
"1578445"	402.12892	"C09571"	"Lophocerine"	"C15H23NO2"	"249.1729"	"M+K+CF3COOH"	152.95602
"812095"	404.1835	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M"	0
"975785"	385.16511	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-H2O-H"	-19.01839
"66213"	268.448390666667	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M-3H"	-3.021828
"511241"	403.176224	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M-3H"	-3.021828
"892325"	133.720557333333	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-3H"	-3.021828
"10900"	403.176224	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M-2H"	-2.014552
"449366"	605.267974	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M-2H"	-2.014552
"826075"	201.084474	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-2H"	-2.014552
"84973"	807.359724	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M-H"	-1.007276
"528908"	1211.543224	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M-H"	-1.007276
"897598"	403.176224	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-H"	-1.007276
"49424"	824.386271	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M-2H+NH4"	16.019271
"496274"	1228.569771	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M-2H+NH4"	16.019271
"874079"	420.202771	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-2H+NH4"	16.019271
"43076"	829.341666	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M-2H+Na"	20.974666
"472914"	1233.525166	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M-2H+Na"	20.974666
"853876"	425.158166	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-2H+Na"	20.974666
"1631067"	425.158166	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Na-2H"	20.974666
"106500"	421.164563	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M-H+Cl"	33.962126
"547155"	623.256313	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M-H+Cl"	33.962126
"939574"	219.072813	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-H+Cl"	33.962126
"280318"	843.336402	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+Cl"	34.969402
"671648"	1247.519902	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+Cl"	34.969402
"1284782"	439.152902	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Cl"	34.969402
"28430"	845.315606	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M-2H+K"	36.948606
"467262"	1249.499106	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M-2H+K"	36.948606
"845065"	441.132106	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-2H+K"	36.948606
"1564178"	441.132106	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+K-2H"	36.948606
"952063"	449.181694	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-H+HCOOH"	44.998194
"372462"	853.365201	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+HCOOH-H"	44.998201
"359264"	867.380851	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+Hac-H"	59.013851
"1506274"	463.197351	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Hac-H"	59.013851
"971630"	471.163651	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-H+NaCOOH"	66.980151
"123816"	439.152902	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+2Cl"	69.938804
"559002"	641.244652	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+2Cl"	69.938804
"1031085"	237.061152	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2Cl"	69.938804
"1249572"	483.102385	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Br"	78.918885
"1312022"	485.158372	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Cl+HCOOH"	80.974872
"1327333"	507.140329	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Cl+NaCOOH"	102.956829
"918388"	517.169086	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M-H+CF3COOH"	112.985586
"1297287"	553.145764	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Cl+CF3COOH"	148.962264
"1372168"	369.170824	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H-2H2O"	-35.012676
"1388571"	387.1808	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H-H2O"	-17.0027
"292267"	809.374276	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+H"	1.007276
"676669"	1213.557776	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+H"	1.007276
"1351510"	405.190776	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H"	1.007276
"125978"	405.190776	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+2H"	2.014552
"566066"	607.282526	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+2H"	2.014552
"1037784"	203.099026	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2H"	2.014552
"214935"	270.462942666667	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+3H"	3.021828
"654495"	405.190776	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+3H"	3.021828
"1172619"	135.735109333333	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+3H"	3.021828
"436987"	826.400823	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+NH4"	18.033823
"801336"	1230.584323	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+NH4"	18.033823
"1695411"	422.217323	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+NH4"	18.033823
"341502"	413.7040495	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+H+NH4"	19.041099
"731736"	615.7957995	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+H+NH4"	19.041099
"1488835"	211.6122995	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H+NH4"	19.041099
"403142"	831.356218	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+Na"	22.989218
"764138"	1235.539718	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+Na"	22.989218
"1613328"	427.172718	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Na"	22.989218
"324461"	416.181747	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+H+Na"	23.996494
"720163"	618.273497	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+H+Na"	23.996494
"1472160"	214.089997	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H+Na"	23.996494
"1067230"	143.062423333333	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2H+Na"	25.00377
"1272720"	437.216986	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+CH3OH+H"	33.033486
"380926"	847.330158	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+K"	38.963158
"743014"	1251.513658	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+K"	38.963158
"1552720"	443.146658	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+K"	38.963158
"304428"	424.168717	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+H+K"	39.970434
"694662"	626.260467	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+H+K"	39.970434
"1449575"	222.076967	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H+K"	39.970434
"240365"	850.400826	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+ACN+H"	42.033826
"1211012"	446.217326	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+ACN+H"	42.033826
"1200239"	223.612301	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+ACN+2H"	43.041102
"193109"	853.33816	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+2Na-H"	44.97116
"633033"	1257.52166	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+2Na-H"	44.97116
"1133259"	449.15466	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2Na-H"	44.97116
"181652"	427.172718	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+2Na"	45.978436
"616839"	629.264468	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+2Na"	45.978436
"1119252"	225.080968	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2Na"	45.978436
"1400589"	150.389737333333	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H+2Na"	46.985712
"1434892"	451.196246	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H+HCOOH"	47.012746
"220820"	432.20574	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+3H2O+2H"	56.04448
"1512285"	465.24829	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+IsoProp+H"	61.06479
"409907"	435.159688	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+Na+K"	61.952376
"771517"	637.251438	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+Na+K"	61.952376
"1666628"	233.067938	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Na+K"	61.952376
"252298"	872.382768	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+ACN+Na"	64.015768
"1227437"	468.199268	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+ACN+Na"	64.015768
"1715963"	468.222793	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+NH4+HCOOH"	64.039293
"1184237"	157.717051333333	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+3Na"	68.967654
"1656317"	473.178188	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Na+HCOOH"	68.994688
"165366"	885.28604	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+2K-H"	76.91904
"612581"	1289.46954	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+2K-H"	76.91904
"1092719"	481.10254	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2K-H"	76.91904
"153911"	443.146658	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"2M+2K"	77.926316
"586912"	645.238408	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"3M+2K"	77.926316
"1070693"	241.054908	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2K"	77.926316
"1103536"	483.117092	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2K+H"	78.933592
"1343205"	483.204707	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+DMSO+H"	79.021207
"1018295"	487.243876	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2ACN+H"	83.060376
"1537514"	488.237508	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+IsoProp+Na+H"	84.054008
"1002868"	244.125576	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+2ACN+2H"	84.067652
"1596276"	489.152128	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+K+HCOOH"	84.968628
"1419750"	519.183638	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+H+CF3COOH"	115.000138
"1147973"	264.638851	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+3ACN+2H"	125.094202
"1697158"	536.210185	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+NH4+CF3COOH"	132.026685
"1640716"	541.16558	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+Na+CF3COOH"	136.98208
"1578555"	557.13952	"C09572"	"Ursiniolide A"	"C22H28O7"	"404.1835"	"M+K+CF3COOH"	152.95602
"808923"	235.1208	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M"	0
"975894"	216.10241	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-H2O-H"	-19.01839
"66323"	155.739924	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M-3H"	-3.021828
"509164"	234.113524	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M-3H"	-3.021828
"893894"	77.366324	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-3H"	-3.021828
"13198"	234.113524	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M-2H"	-2.014552
"450569"	351.673924	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M-2H"	-2.014552
"827279"	116.553124	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-2H"	-2.014552
"90917"	469.234324	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M-H"	-1.007276
"530111"	704.355124	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M-H"	-1.007276
"899167"	234.113524	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-H"	-1.007276
"49170"	486.260871	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M-2H+NH4"	16.019271
"496384"	721.381671	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M-2H+NH4"	16.019271
"872002"	251.140071	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-2H+NH4"	16.019271
"42821"	491.216266	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M-2H+Na"	20.974666
"473024"	726.337066	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M-2H+Na"	20.974666
"853986"	256.095466	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-2H+Na"	20.974666
"1627896"	256.095466	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Na-2H"	20.974666
"106246"	252.101863	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M-H+Cl"	33.962126
"546538"	369.662263	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M-H+Cl"	33.962126
"939320"	134.541463	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-H+Cl"	33.962126
"277148"	505.211002	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+Cl"	34.969402
"669570"	740.331802	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+Cl"	34.969402
"1281973"	270.090202	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Cl"	34.969402
"26717"	507.190206	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M-2H+K"	36.948606
"467374"	742.311006	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M-2H+K"	36.948606
"840800"	272.069406	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-2H+K"	36.948606
"1564288"	272.069406	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+K-2H"	36.948606
"953996"	280.118994	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-H+HCOOH"	44.998194
"373666"	515.239801	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+HCOOH-H"	44.998201
"360103"	529.255451	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+Hac-H"	59.013851
"1502009"	294.134651	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Hac-H"	59.013851
"969556"	302.100951	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-H+NaCOOH"	66.980151
"124292"	270.090202	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+2Cl"	69.938804
"563486"	387.650602	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+2Cl"	69.938804
"1027911"	152.529802	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2Cl"	69.938804
"1249678"	314.039685	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Br"	78.918885
"1308846"	316.095672	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Cl+HCOOH"	80.974872
"1329630"	338.077629	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Cl+NaCOOH"	102.956829
"919592"	348.106386	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M-H+CF3COOH"	112.985586
"1297398"	384.083064	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Cl+CF3COOH"	148.962264
"1373371"	200.108124	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H-2H2O"	-35.012676
"1388681"	218.1181	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H-H2O"	-17.0027
"293470"	471.248876	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+H"	1.007276
"676779"	706.369676	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+H"	1.007276
"1352392"	236.128076	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H"	1.007276
"126374"	236.128076	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+2H"	2.014552
"566175"	353.688476	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+2H"	2.014552
"1037773"	118.567676	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2H"	2.014552
"216139"	157.754476	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+3H"	3.021828
"655698"	236.128076	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+3H"	3.021828
"1171636"	79.380876	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+3H"	3.021828
"433817"	488.275423	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+NH4"	18.033823
"801020"	723.396223	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+NH4"	18.033823
"1696134"	253.154623	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+NH4"	18.033823
"343435"	244.6413495	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+H+NH4"	19.041099
"734031"	362.2017495	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+H+NH4"	19.041099
"1490773"	127.0809495	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H+NH4"	19.041099
"403254"	493.230818	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+Na"	22.989218
"765341"	728.351618	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+Na"	22.989218
"1611252"	258.110018	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Na"	22.989218
"325665"	247.119047	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+H+Na"	23.996494
"717722"	364.679447	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+H+Na"	23.996494
"1470812"	129.558647	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H+Na"	23.996494
"1066613"	86.70819	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2H+Na"	25.00377
"1271330"	268.154286	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+CH3OH+H"	33.033486
"379943"	509.204758	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+K"	38.963158
"745312"	744.325558	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+K"	38.963158
"1550645"	274.083958	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+K"	38.963158
"303448"	255.106017	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+H+K"	39.970434
"696958"	372.666417	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+H+K"	39.970434
"1449686"	137.545617	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H+K"	39.970434
"237560"	512.275426	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+ACN+H"	42.033826
"1211364"	277.154626	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+ACN+H"	42.033826
"1198163"	139.080951	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+ACN+2H"	43.041102
"197593"	515.21276	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+2Na-H"	44.97116
"634967"	750.33356	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+2Na-H"	44.97116
"1138472"	280.09196	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2Na-H"	44.97116
"182856"	258.110018	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+2Na"	45.978436
"620229"	375.670418	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+2Na"	45.978436
"1122642"	140.549618	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2Na"	45.978436
"1406166"	94.035504	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H+2Na"	46.985712
"1435001"	282.133546	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H+HCOOH"	47.012746
"225790"	263.14304	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+3H2O+2H"	56.04448
"1514948"	296.18559	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+IsoProp+H"	61.06479
"408880"	266.096988	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+Na+K"	61.952376
"771627"	383.657388	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+Na+K"	61.952376
"1666006"	148.536588	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Na+K"	61.952376
"251591"	534.257368	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+ACN+Na"	64.015768
"1229006"	299.136568	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+ACN+Na"	64.015768
"1718989"	299.160093	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+NH4+HCOOH"	64.039293
"1184347"	101.362818	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+3Na"	68.967654
"1657520"	304.115488	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Na+HCOOH"	68.994688
"165476"	547.16064	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+2K-H"	76.91904
"612456"	782.28144	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+2K-H"	76.91904
"1096109"	312.03984	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2K-H"	76.91904
"156333"	274.083958	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"2M+2K"	77.926316
"585929"	391.644358	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"3M+2K"	77.926316
"1070804"	156.523558	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2K"	77.926316
"1104741"	314.054392	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2K+H"	78.933592
"1344408"	314.142007	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+DMSO+H"	79.021207
"1019499"	318.181176	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2ACN+H"	83.060376
"1538596"	319.174808	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+IsoProp+Na+H"	84.054008
"1002978"	159.594226	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+2ACN+2H"	84.067652
"1598573"	320.089428	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+K+HCOOH"	84.968628
"1419861"	350.120938	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+H+CF3COOH"	115.000138
"1147719"	180.107501	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+3ACN+2H"	125.094202
"1698240"	367.147485	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+NH4+CF3COOH"	132.026685
"1637546"	372.10288	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+Na+CF3COOH"	136.98208
"1581945"	388.07682	"C09573"	"Lophophorine"	"C13H17NO3"	"235.1208"	"M+K+CF3COOH"	152.95602
"809033"	264.1362	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M"	0
"976004"	245.11781	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"68620"	175.083524	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"511461"	263.128924	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"894368"	87.038124	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"14400"	263.128924	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"451772"	395.197024	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"828118"	131.060824	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"92120"	527.265124	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"530221"	791.401324	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"899274"	263.128924	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"53653"	544.291671	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"493214"	808.427871	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"867737"	280.155471	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"35638"	549.247066	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"472646"	813.383266	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"848664"	285.110866	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1628005"	285.110866	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"107812"	281.117263	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"545185"	413.185363	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"935419"	149.049163	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"279444"	563.241802	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"665306"	827.378002	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1279896"	299.105602	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"21359"	565.221006	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"462016"	829.357206	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"838723"	301.084806	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1562211"	301.084806	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"953376"	309.134394	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"372683"	573.270601	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"359848"	587.286251	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1502119"	323.150051	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"972580"	331.116351	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"120756"	299.105602	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"558129"	431.173702	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1025834"	167.037502	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1247601"	343.055085	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1307862"	345.111072	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1328646"	367.093029	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"917514"	377.121786	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1298600"	413.098464	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1375667"	229.123524	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1389884"	247.1335	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"291757"	529.279676	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"676640"	793.415876	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1352868"	265.143476	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"126121"	265.143476	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"566411"	397.211576	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1037396"	133.075376	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"204930"	177.098076	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"653620"	265.143476	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1170651"	89.052676	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"430644"	546.306223	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"801006"	810.442423	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1695997"	282.170023	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"343910"	273.6567495	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"735964"	405.7248495	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1489057"	141.5886495	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"406644"	551.261618	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"766544"	815.397818	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1614642"	287.125418	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"326870"	276.134447	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"720383"	408.202547	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1474201"	144.066347	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1066722"	96.37999	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1271442"	297.169686	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"382238"	567.235558	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"746515"	831.371758	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1550755"	303.099358	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"307928"	284.121417	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"697068"	416.189517	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1451982"	152.053317	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"242770"	570.306226	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1214389"	306.170026	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1199365"	153.588651	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"194423"	573.24356	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"633983"	837.37976	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1140769"	309.10736	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"185153"	287.125418	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"622526"	419.193518	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1122752"	155.057318	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1409556"	103.707304	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1439485"	311.148946	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"225900"	292.15844	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1515058"	325.20099	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"409399"	295.112388	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"772466"	427.180488	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1667701"	163.044288	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"253127"	592.288168	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1230210"	328.151968	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1719099"	328.175493	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1192108"	111.034618	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1663095"	333.130888	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"170686"	605.19144	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"610613"	869.32764	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1097312"	341.05524	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"156810"	303.099358	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"594786"	435.167458	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1073829"	171.031258	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1104852"	343.069792	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1346705"	343.157407	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1018516"	347.196576	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1539193"	348.190208	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1005156"	174.101926	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1598683"	349.104828	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1423251"	379.136338	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1148073"	194.615201	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1699809"	396.162885	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1637656"	401.11828	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1582055"	417.09222	"C09574"	"Vermeerin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"802581"	335.0794	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M"	0
"976839"	316.06101	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-H2O-H"	-19.01839
"68726"	222.378990666667	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M-3H"	-3.021828
"514850"	334.072124	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M-3H"	-3.021828
"891559"	110.685857333333	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-3H"	-3.021828
"10133"	334.072124	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M-2H"	-2.014552
"449694"	501.611824	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M-2H"	-2.014552
"826403"	166.532424	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-2H"	-2.014552
"88581"	669.151524	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M-H"	-1.007276
"525954"	1004.230924	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M-H"	-1.007276
"900479"	334.072124	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-H"	-1.007276
"53760"	686.178071	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M-2H+NH4"	16.019271
"495511"	1021.257471	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M-2H+NH4"	16.019271
"877684"	351.098671	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-2H+NH4"	16.019271
"45591"	691.133466	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M-2H+Na"	20.974666
"482959"	1026.212866	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M-2H+Na"	20.974666
"853105"	356.054066	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-2H+Na"	20.974666
"1625920"	356.054066	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Na-2H"	20.974666
"98075"	352.060463	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M-H+Cl"	33.962126
"537637"	519.600163	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M-H+Cl"	33.962126
"930058"	184.520763	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-H+Cl"	33.962126
"270436"	705.128202	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+Cl"	34.969402
"666508"	1040.207602	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+Cl"	34.969402
"1278909"	370.048802	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Cl"	34.969402
"18548"	707.107406	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M-2H+K"	36.948606
"463213"	1042.186806	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M-2H+K"	36.948606
"837005"	372.028006	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-2H+K"	36.948606
"1557575"	372.028006	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+K-2H"	36.948606
"948016"	380.077594	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-H+HCOOH"	44.998194
"366226"	715.157001	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+HCOOH-H"	44.998201
"351207"	729.172651	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+Hac-H"	59.013851
"1498945"	394.093251	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Hac-H"	59.013851
"968676"	402.059551	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-H+NaCOOH"	66.980151
"118676"	370.048802	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+2Cl"	69.938804
"557144"	537.588502	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+2Cl"	69.938804
"1026305"	202.509102	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2Cl"	69.938804
"1245156"	413.998285	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Br"	78.918885
"1306509"	416.054272	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Cl+HCOOH"	80.974872
"1328754"	438.036229	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Cl+NaCOOH"	102.956829
"916531"	448.064986	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M-H+CF3COOH"	112.985586
"1294332"	484.041664	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Cl+CF3COOH"	148.962264
"1369578"	300.066724	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H-2H2O"	-35.012676
"1384157"	318.0767	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H-H2O"	-17.0027
"283846"	671.166076	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+H"	1.007276
"676628"	1006.245476	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+H"	1.007276
"1351758"	336.086676	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H"	1.007276
"126468"	336.086676	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+2H"	2.014552
"567604"	503.626376	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+2H"	2.014552
"1038347"	168.546976	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2H"	2.014552
"206499"	224.393542666667	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+3H"	3.021828
"649352"	336.086676	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+3H"	3.021828
"1167478"	112.700409333333	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+3H"	3.021828
"426737"	688.192623	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+NH4"	18.033823
"789555"	1023.272023	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+NH4"	18.033823
"1685894"	353.113223	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+NH4"	18.033823
"336359"	344.5999495	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+H+NH4"	19.041099
"734249"	512.1396495	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+H+NH4"	19.041099
"1489163"	177.0602495	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H+NH4"	19.041099
"407482"	693.148018	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+Na"	22.989218
"766652"	1028.227418	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+Na"	22.989218
"1613657"	358.068618	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Na"	22.989218
"325881"	347.077647	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+H+Na"	23.996494
"721585"	514.617347	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+H+Na"	23.996494
"1475407"	179.537947	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H+Na"	23.996494
"1065375"	120.027723333333	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2H+Na"	25.00377
"1270336"	368.112886	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+CH3OH+H"	33.033486
"386722"	709.121958	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+K"	38.963158
"748809"	1044.201358	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+K"	38.963158
"1548676"	374.042558	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+K"	38.963158
"311316"	355.064617	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+H+K"	39.970434
"701551"	522.604317	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+H+K"	39.970434
"1454280"	187.524917	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H+K"	39.970434
"243975"	712.192626	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+ACN+H"	42.033826
"1217777"	377.113226	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+ACN+H"	42.033826
"1200567"	189.060251	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+ACN+2H"	43.041102
"194530"	715.12996	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+2Na-H"	44.97116
"636277"	1050.20936	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+2Na-H"	44.97116
"1139783"	380.05056	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2Na-H"	44.97116
"178701"	358.068618	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+2Na"	45.978436
"619355"	525.608318	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+2Na"	45.978436
"1119580"	190.528918	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2Na"	45.978436
"1404197"	127.355037333333	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H+2Na"	46.985712
"1437406"	382.092146	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H+HCOOH"	47.012746
"224912"	363.10164	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+3H2O+2H"	56.04448
"1514069"	396.14419	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+IsoProp+H"	61.06479
"410473"	366.055588	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+Na+K"	61.952376
"774764"	533.595288	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+Na+K"	61.952376
"1670000"	198.515888	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Na+K"	61.952376
"253237"	734.174568	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+ACN+Na"	64.015768
"1229225"	399.095168	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+ACN+Na"	64.015768
"1714466"	399.118693	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+NH4+HCOOH"	64.039293
"1182375"	134.682351333333	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+3Na"	68.967654
"1655550"	404.074088	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Na+HCOOH"	68.994688
"167881"	747.07784	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+2K-H"	76.91904
"606348"	1082.15724	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+2K-H"	76.91904
"1096324"	411.99844	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2K-H"	76.91904
"148766"	374.042558	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"2M+2K"	77.926316
"591611"	541.582258	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"3M+2K"	77.926316
"1077218"	206.502858	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2K"	77.926316
"1110428"	414.012992	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2K+H"	78.933592
"1346813"	414.100607	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+DMSO+H"	79.021207
"1018623"	418.139776	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2ACN+H"	83.060376
"1533466"	419.133408	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+IsoProp+Na+H"	84.054008
"1004782"	209.573526	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+2ACN+2H"	84.067652
"1600980"	420.048028	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+K+HCOOH"	84.968628
"1425547"	450.079538	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+H+CF3COOH"	115.000138
"1147571"	230.086801	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+3ACN+2H"	125.094202
"1697852"	467.106085	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+NH4+CF3COOH"	132.026685
"1634485"	472.06148	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+Na+CF3COOH"	136.98208
"1582165"	488.03542	"C09575"	"()-Luguine"	"C19H13NO5"	"335.0794"	"M+K+CF3COOH"	152.95602
"802691"	360.1209	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M"	0
"977316"	341.10251	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-H2O-H"	-19.01839
"67744"	239.073324	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M-3H"	-3.021828
"512775"	359.113624	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M-3H"	-3.021828
"894952"	119.033024	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-3H"	-3.021828
"11339"	359.113624	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M-2H"	-2.014552
"450898"	539.174074	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M-2H"	-2.014552
"831744"	179.053174	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-2H"	-2.014552
"93676"	719.234524	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M-H"	-1.007276
"532627"	1079.355424	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M-H"	-1.007276
"900588"	359.113624	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-H"	-1.007276
"51687"	736.261071	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M-2H+NH4"	16.019271
"492342"	1096.381971	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M-2H+NH4"	16.019271
"866863"	376.140171	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-2H+NH4"	16.019271
"43510"	741.216466	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M-2H+Na"	20.974666
"481978"	1101.337366	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M-2H+Na"	20.974666
"859780"	381.095566	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-2H+Na"	20.974666
"1627126"	381.095566	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Na-2H"	20.974666
"101466"	377.101963	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M-H+Cl"	33.962126
"535924"	557.162413	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M-H+Cl"	33.962126
"928711"	197.041513	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-H+Cl"	33.962126
"269455"	755.211202	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+Cl"	34.969402
"661999"	1115.332102	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+Cl"	34.969402
"1275743"	395.090302	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Cl"	34.969402
"17810"	757.190406	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M-2H+K"	36.948606
"457857"	1117.311306	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M-2H+K"	36.948606
"836754"	397.069506	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-2H+K"	36.948606
"1558781"	397.069506	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+K-2H"	36.948606
"949219"	405.119094	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-H+HCOOH"	44.998194
"366704"	765.240001	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+HCOOH-H"	44.998201
"352045"	779.255651	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+Hac-H"	59.013851
"1496867"	419.134751	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Hac-H"	59.013851
"966599"	427.101051	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-H+NaCOOH"	66.980151
"118785"	395.090302	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+2Cl"	69.938804
"556158"	575.150752	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+2Cl"	69.938804
"1027148"	215.029852	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2Cl"	69.938804
"1243444"	439.039785	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Br"	78.918885
"1305281"	441.095772	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Cl+HCOOH"	80.974872
"1329958"	463.077729	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Cl+NaCOOH"	102.956829
"919195"	473.106486	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M-H+CF3COOH"	112.985586
"1291524"	509.083164	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Cl+CF3COOH"	148.962264
"1370417"	325.108224	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H-2H2O"	-35.012676
"1385362"	343.1182	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H-H2O"	-17.0027
"285414"	721.249076	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+H"	1.007276
"677102"	1081.369976	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+H"	1.007276
"1353817"	361.128176	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H"	1.007276
"126455"	361.128176	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+2H"	2.014552
"566378"	541.188626	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+2H"	2.014552
"1038093"	181.067726	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2H"	2.014552
"205031"	241.087876	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+3H"	3.021828
"650558"	361.128176	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+3H"	3.021828
"1169777"	121.047576	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+3H"	3.021828
"433052"	738.275623	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+NH4"	18.033823
"792953"	1098.396523	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+NH4"	18.033823
"1688191"	378.154723	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+NH4"	18.033823
"338655"	369.6414495	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+H+NH4"	19.041099
"738006"	549.7018995	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+H+NH4"	19.041099
"1489273"	189.5809995	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H+NH4"	19.041099
"407838"	743.231018	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+Na"	22.989218
"768465"	1103.351918	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+Na"	22.989218
"1609394"	383.110118	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Na"	22.989218
"322711"	372.119147	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+H+Na"	23.996494
"715134"	552.179597	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+H+Na"	23.996494
"1465674"	192.058697	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H+Na"	23.996494
"1064389"	128.37489	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2H+Na"	25.00377
"1267165"	393.154386	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+CH3OH+H"	33.033486
"385740"	759.204958	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+K"	38.963158
"748921"	1119.325858	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+K"	38.963158
"1548786"	399.084058	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+K"	38.963158
"309240"	380.106117	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+H+K"	39.970434
"698383"	560.166567	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+H+K"	39.970434
"1457671"	200.045667	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H+K"	39.970434
"240440"	762.275626	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+ACN+H"	42.033826
"1215702"	402.154726	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+ACN+H"	42.033826
"1198491"	201.581001	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+ACN+2H"	43.041102
"193547"	765.21296	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+2Na-H"	44.97116
"636388"	1125.33386	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+2Na-H"	44.97116
"1136614"	405.09206	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2Na-H"	44.97116
"180998"	383.110118	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+2Na"	45.978436
"619466"	563.170568	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+2Na"	45.978436
"1117016"	203.049668	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2Na"	45.978436
"1403215"	135.702204	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H+2Na"	46.985712
"1435330"	407.133646	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H+HCOOH"	47.012746
"225022"	388.14314	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+3H2O+2H"	56.04448
"1515272"	421.18569	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+IsoProp+H"	61.06479
"410584"	391.097088	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+Na+K"	61.952376
"777061"	571.157538	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+Na+K"	61.952376
"1671203"	211.036638	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Na+K"	61.952376
"255895"	784.257568	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+ACN+Na"	64.015768
"1230426"	424.136668	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+ACN+Na"	64.015768
"1716396"	424.160193	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+NH4+HCOOH"	64.039293
"1186860"	143.029518	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+3Na"	68.967654
"1652742"	429.115588	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Na+HCOOH"	68.994688
"169083"	797.16084	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+2K-H"	76.91904
"606458"	1157.28174	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+2K-H"	76.91904
"1095341"	437.03994	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2K-H"	76.91904
"147783"	399.084058	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"2M+2K"	77.926316
"589533"	579.144508	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"3M+2K"	77.926316
"1079516"	219.023608	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2K"	77.926316
"1112725"	439.054492	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2K+H"	78.933592
"1346923"	439.142107	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+DMSO+H"	79.021207
"1019828"	443.181276	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2ACN+H"	83.060376
"1534672"	444.174908	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+IsoProp+Na+H"	84.054008
"1004159"	222.094276	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+2ACN+2H"	84.067652
"1599997"	445.089528	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+K+HCOOH"	84.968628
"1422378"	475.121038	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+H+CF3COOH"	115.000138
"1158132"	242.607551	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+3ACN+2H"	125.094202
"1698935"	492.147585	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+NH4+CF3COOH"	132.026685
"1635687"	497.10298	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+Na+CF3COOH"	136.98208
"1578995"	513.07692	"C09576"	"Vernodalin"	"C19H20O7"	"360.1209"	"M+K+CF3COOH"	152.95602
"809363"	392.1471	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M"	0
"977790"	373.12871	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-H2O-H"	-19.01839
"68950"	260.424124	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M-3H"	-3.021828
"516167"	391.139824	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M-3H"	-3.021828
"892876"	129.708424	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-3H"	-3.021828
"8170"	391.139824	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M-2H"	-2.014552
"448824"	587.213374	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M-2H"	-2.014552
"832623"	195.066274	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-2H"	-2.014552
"92085"	783.286924	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M-H"	-1.007276
"532739"	1175.434024	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M-H"	-1.007276
"903979"	391.139824	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-H"	-1.007276
"55077"	800.313471	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M-2H+NH4"	16.019271
"499012"	1192.460571	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M-2H+NH4"	16.019271
"872441"	408.166371	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-2H+NH4"	16.019271
"35967"	805.268866	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M-2H+Na"	20.974666
"483183"	1197.415966	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M-2H+Na"	20.974666
"859890"	413.121766	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-2H+Na"	20.974666
"1628329"	413.121766	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Na-2H"	20.974666
"101576"	409.128163	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M-H+Cl"	33.962126
"535790"	605.201713	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M-H+Cl"	33.962126
"928093"	213.054613	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-H+Cl"	33.962126
"269928"	819.263602	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+Cl"	34.969402
"660531"	1211.410702	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+Cl"	34.969402
"1275120"	427.116502	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Cl"	34.969402
"16948"	821.242806	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M-2H+K"	36.948606
"458334"	1213.389906	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M-2H+K"	36.948606
"834676"	429.095706	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-2H+K"	36.948606
"1559988"	429.095706	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+K-2H"	36.948606
"949692"	437.145294	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-H+HCOOH"	44.998194
"366449"	829.292401	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+HCOOH-H"	44.998201
"354708"	843.308051	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+Hac-H"	59.013851
"1496977"	451.160951	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Hac-H"	59.013851
"964886"	459.127251	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-H+NaCOOH"	66.980151
"117802"	427.116502	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+2Cl"	69.938804
"556268"	623.190052	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+2Cl"	69.938804
"1027623"	231.042952	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2Cl"	69.938804
"1244647"	471.065985	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Br"	78.918885
"1304908"	473.121972	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Cl+HCOOH"	80.974872
"1326789"	495.103929	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Cl+NaCOOH"	102.956829
"917847"	505.132686	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M-H+CF3COOH"	112.985586
"1291638"	541.109364	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Cl+CF3COOH"	148.962264
"1371620"	357.134424	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H-2H2O"	-35.012676
"1385836"	375.1444	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H-H2O"	-17.0027
"286255"	785.301476	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+H"	1.007276
"676848"	1177.448576	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+H"	1.007276
"1353197"	393.154376	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H"	1.007276
"126808"	393.154376	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+2H"	2.014552
"565730"	589.227926	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+2H"	2.014552
"1037839"	197.080826	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2H"	2.014552
"205631"	262.438676	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+3H"	3.021828
"650668"	393.154376	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+3H"	3.021828
"1169887"	131.722976	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+3H"	3.021828
"434256"	802.328023	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+NH4"	18.033823
"791968"	1194.475123	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+NH4"	18.033823
"1688301"	410.180923	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+NH4"	18.033823
"338765"	401.6676495	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+H+NH4"	19.041099
"737388"	597.7411995	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+H+NH4"	19.041099
"1489382"	205.5940995	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H+NH4"	19.041099
"408272"	807.283418	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+Na"	22.989218
"769752"	1199.430518	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+Na"	22.989218
"1611691"	415.136318	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Na"	22.989218
"323914"	404.145347	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+H+Na"	23.996494
"716338"	600.218897	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+H+Na"	23.996494
"1471251"	208.071797	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H+Na"	23.996494
"1061217"	139.05029	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2H+Na"	25.00377
"1266178"	425.180586	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+CH3OH+H"	33.033486
"388038"	823.257358	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+K"	38.963158
"751219"	1215.404458	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+K"	38.963158
"1552175"	431.110258	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+K"	38.963158
"313724"	412.132317	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+H+K"	39.970434
"702869"	608.205867	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+H+K"	39.970434
"1457781"	216.058767	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H+K"	39.970434
"245290"	826.328026	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+ACN+H"	42.033826
"1220184"	434.180926	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+ACN+H"	42.033826
"1202975"	217.594101	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+ACN+2H"	43.041102
"198031"	829.26536	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+2Na-H"	44.97116
"635405"	1221.41246	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+2Na-H"	44.97116
"1138911"	437.11826	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2Na-H"	44.97116
"181108"	415.136318	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+2Na"	45.978436
"622856"	611.209868	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+2Na"	45.978436
"1117126"	219.062768	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2Na"	45.978436
"1401138"	146.377604	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H+2Na"	46.985712
"1435440"	439.159846	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H+HCOOH"	47.012746
"224039"	420.16934	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+3H2O+2H"	56.04448
"1514290"	453.21189	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+IsoProp+H"	61.06479
"409965"	423.123288	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+Na+K"	61.952376
"778264"	619.196838	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+Na+K"	61.952376
"1673499"	227.049738	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Na+K"	61.952376
"254913"	848.309968	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+ACN+Na"	64.015768
"1229444"	456.162868	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+ACN+Na"	64.015768
"1716506"	456.186393	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+NH4+HCOOH"	64.039293
"1185876"	153.704918	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+3Na"	68.967654
"1652488"	461.141788	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Na+HCOOH"	68.994688
"171379"	861.21324	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+2K-H"	76.91904
"611668"	1253.36034	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+2K-H"	76.91904
"1095451"	469.06614	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2K-H"	76.91904
"147893"	431.110258	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"2M+2K"	77.926316
"589642"	627.183808	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"3M+2K"	77.926316
"1078533"	235.036708	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2K"	77.926316
"1108462"	471.080692	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2K+H"	78.933592
"1345939"	471.168307	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+DMSO+H"	79.021207
"1019816"	475.207476	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2ACN+H"	83.060376
"1534782"	476.201108	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+IsoProp+Na+H"	84.054008
"1003416"	238.107376	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+2ACN+2H"	84.067652
"1597920"	477.115728	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+K+HCOOH"	84.968628
"1420300"	507.147238	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+H+CF3COOH"	115.000138
"1154962"	258.620651	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+3ACN+2H"	125.094202
"1701239"	524.173785	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+NH4+CF3COOH"	132.026685
"1635311"	529.12918	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+Na+CF3COOH"	136.98208
"1579105"	545.10312	"C09577"	"Vernodalol"	"C20H24O8"	"392.1471"	"M+K+CF3COOH"	152.95602
"802911"	328.1675	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M"	0
"975347"	309.14911	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-H2O-H"	-19.01839
"66142"	217.771057333333	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M-3H"	-3.021828
"515184"	327.160224	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M-3H"	-3.021828
"885330"	108.381890666667	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-3H"	-3.021828
"5362"	327.160224	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M-2H"	-2.014552
"446016"	491.243974	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M-2H"	-2.014552
"827829"	163.076474	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-2H"	-2.014552
"87820"	655.327724	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M-H"	-1.007276
"529567"	983.495224	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M-H"	-1.007276
"900809"	327.160224	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-H"	-1.007276
"52997"	672.354271	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M-2H+NH4"	16.019271
"500215"	1000.521771	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M-2H+NH4"	16.019271
"869269"	344.186771	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-2H+NH4"	16.019271
"39356"	677.309666	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M-2H+Na"	20.974666
"472354"	1005.477166	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M-2H+Na"	20.974666
"856719"	349.142166	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-2H+Na"	20.974666
"1621878"	349.142166	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Na-2H"	20.974666
"95125"	345.148563	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M-H+Cl"	33.962126
"534642"	509.232313	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M-H+Cl"	33.962126
"927749"	181.064813	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-H+Cl"	33.962126
"267482"	691.304402	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+Cl"	34.969402
"660514"	1019.471902	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+Cl"	34.969402
"1273529"	363.136902	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Cl"	34.969402
"16042"	693.283606	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M-2H+K"	36.948606
"456742"	1021.451106	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M-2H+K"	36.948606
"835879"	365.116106	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-2H+K"	36.948606
"1561191"	365.116106	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+K-2H"	36.948606
"947615"	373.165694	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-H+HCOOH"	44.998194
"364737"	701.333201	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+HCOOH-H"	44.998201
"351901"	715.348851	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+Hac-H"	59.013851
"1494900"	387.181351	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Hac-H"	59.013851
"965725"	395.147651	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-H+NaCOOH"	66.980151
"115725"	363.136902	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+2Cl"	69.938804
"554190"	527.220652	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+2Cl"	69.938804
"1022624"	199.053152	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2Cl"	69.938804
"1242203"	407.086385	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Br"	78.918885
"1304651"	409.142372	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Cl+HCOOH"	80.974872
"1325076"	431.124329	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Cl+NaCOOH"	102.956829
"917957"	441.153086	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M-H+CF3COOH"	112.985586
"1291748"	477.129764	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Cl+CF3COOH"	148.962264
"1369542"	293.154824	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H-2H2O"	-35.012676
"1385218"	311.1648	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H-H2O"	-17.0027
"284541"	657.342276	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+H"	1.007276
"676349"	985.509776	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+H"	1.007276
"1352577"	329.174776	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H"	1.007276
"126065"	329.174776	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+2H"	2.014552
"566023"	493.258526	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+2H"	2.014552
"1038064"	165.091026	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2H"	2.014552
"206106"	219.785609333333	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+3H"	3.021828
"647497"	329.174776	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+3H"	3.021828
"1169997"	110.396442666667	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+3H"	3.021828
"435459"	674.368823	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+NH4"	18.033823
"792078"	1002.536323	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+NH4"	18.033823
"1684035"	346.201323	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+NH4"	18.033823
"335595"	337.6880495	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+H+NH4"	19.041099
"736769"	501.7717995	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+H+NH4"	19.041099
"1488400"	173.6042995	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H+NH4"	19.041099
"408472"	679.324218	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+Na"	22.989218
"769826"	1007.491718	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+Na"	22.989218
"1611799"	351.156718	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Na"	22.989218
"321837"	340.165747	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+H+Na"	23.996494
"717539"	504.249497	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+H+Na"	23.996494
"1469176"	176.081997	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H+Na"	23.996494
"1060234"	117.723756666667	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2H+Na"	25.00377
"1266288"	361.200986	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+CH3OH+H"	33.033486
"385961"	695.298158	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+K"	38.963158
"751328"	1023.465658	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+K"	38.963158
"1553378"	367.130658	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+K"	38.963158
"312741"	348.152717	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+H+K"	39.970434
"701882"	512.236467	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+H+K"	39.970434
"1455702"	184.068967	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H+K"	39.970434
"244307"	698.368826	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+ACN+H"	42.033826
"1217013"	370.201326	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+ACN+H"	42.033826
"1203085"	185.604301	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+ACN+2H"	43.041102
"198141"	701.30616	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+2Na-H"	44.97116
"634422"	1029.47366	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+2Na-H"	44.97116
"1136833"	373.13866	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2Na-H"	44.97116
"180125"	351.156718	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+2Na"	45.978436
"616405"	515.240468	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+2Na"	45.978436
"1118816"	187.072968	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2Na"	45.978436
"1400155"	125.051070666667	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H+2Na"	46.985712
"1437737"	375.180246	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H+HCOOH"	47.012746
"227428"	356.18974	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+3H2O+2H"	56.04448
"1516586"	389.23229	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+IsoProp+H"	61.06479
"409712"	359.143688	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+Na+K"	61.952376
"780561"	523.227438	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+Na+K"	61.952376
"1671423"	195.059938	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Na+K"	61.952376
"253564"	720.350768	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+ACN+Na"	64.015768
"1229189"	392.183268	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+ACN+Na"	64.015768
"1715887"	392.206793	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+NH4+HCOOH"	64.039293
"1185986"	132.378384666667	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+3Na"	68.967654
"1652233"	397.162188	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Na+HCOOH"	68.994688
"169302"	733.25404	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+2K-H"	76.91904
"609955"	1061.42154	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+2K-H"	76.91904
"1094467"	405.08654	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2K-H"	76.91904
"146909"	367.130658	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"2M+2K"	77.926316
"589752"	531.214408	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"3M+2K"	77.926316
"1078643"	203.046908	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2K"	77.926316
"1112824"	407.101092	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2K+H"	78.933592
"1346049"	407.188707	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+DMSO+H"	79.021207
"1017861"	411.227876	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2ACN+H"	83.060376
"1534892"	412.221508	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+IsoProp+Na+H"	84.054008
"1002433"	206.117576	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+2ACN+2H"	84.067652
"1599123"	413.136128	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+K+HCOOH"	84.968628
"1421503"	443.167638	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+H+CF3COOH"	115.000138
"1155072"	226.630851	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+3ACN+2H"	125.094202
"1700256"	460.194185	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+NH4+CF3COOH"	132.026685
"1635544"	465.14958	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+Na+CF3COOH"	136.98208
"1579215"	481.12352	"C09578"	"Vernoflexin"	"C20H24O4"	"328.1675"	"M+K+CF3COOH"	152.95602
"801927"	408.1784	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M"	0
"974636"	389.16001	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-H2O-H"	-19.01839
"65159"	271.111657333333	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M-3H"	-3.021828
"508732"	407.171124	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M-3H"	-3.021828
"885440"	135.052190666667	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-3H"	-3.021828
"5473"	407.171124	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M-2H"	-2.014552
"445762"	611.260324	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M-2H"	-2.014552
"826846"	203.081924	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-2H"	-2.014552
"85743"	815.349524	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M-H"	-1.007276
"526397"	1223.527924	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M-H"	-1.007276
"900919"	407.171124	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-H"	-1.007276
"53107"	832.376071	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M-2H+NH4"	16.019271
"497041"	1240.554471	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M-2H+NH4"	16.019271
"868286"	424.197671	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-2H+NH4"	16.019271
"38373"	837.331466	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M-2H+Na"	20.974666
"471652"	1245.509866	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M-2H+Na"	20.974666
"854642"	429.153066	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-2H+Na"	20.974666
"1621988"	429.153066	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Na-2H"	20.974666
"95599"	425.159463	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M-H+Cl"	33.962126
"534506"	629.248663	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M-H+Cl"	33.962126
"927417"	221.070263	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-H+Cl"	33.962126
"267432"	851.326202	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+Cl"	34.969402
"659972"	1259.504602	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+Cl"	34.969402
"1272848"	443.147802	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Cl"	34.969402
"15721"	853.305406	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M-2H+K"	36.948606
"457824"	1261.483806	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M-2H+K"	36.948606
"837083"	445.127006	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-2H+K"	36.948606
"1560208"	445.127006	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+K-2H"	36.948606
"946631"	453.176594	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-H+HCOOH"	44.998194
"364847"	861.355001	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+HCOOH-H"	44.998201
"349459"	875.370651	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+Hac-H"	59.013851
"1494646"	467.192251	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Hac-H"	59.013851
"963283"	475.158551	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-H+NaCOOH"	66.980151
"114011"	443.147802	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+2Cl"	69.938804
"552113"	647.237002	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+2Cl"	69.938804
"1024193"	239.058602	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2Cl"	69.938804
"1243408"	487.097285	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Br"	78.918885
"1304756"	489.153272	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Cl+HCOOH"	80.974872
"1324457"	511.135229	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Cl+NaCOOH"	102.956829
"918067"	521.163986	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M-H+CF3COOH"	112.985586
"1292222"	557.140664	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Cl+CF3COOH"	148.962264
"1368313"	373.165724	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H-2H2O"	-35.012676
"1386787"	391.1757	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H-H2O"	-17.0027
"284652"	817.364076	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+H"	1.007276
"677066"	1225.542476	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+H"	1.007276
"1352808"	409.185676	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H"	1.007276
"126540"	409.185676	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+2H"	2.014552
"566465"	613.274876	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+2H"	2.014552
"1038299"	205.096476	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2H"	2.014552
"206581"	273.126209333333	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+3H"	3.021828
"649793"	409.185676	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+3H"	3.021828
"1169014"	137.066742666667	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+3H"	3.021828
"435569"	834.390623	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+NH4"	18.033823
"794375"	1242.569023	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+NH4"	18.033823
"1686331"	426.212223	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+NH4"	18.033823
"337891"	417.6989495	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+H+NH4"	19.041099
"737489"	621.7881495	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+H+NH4"	19.041099
"1489603"	213.6097495	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H+NH4"	19.041099
"408052"	839.346018	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+Na"	22.989218
"769291"	1247.524418	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+Na"	22.989218
"1611910"	431.167618	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Na"	22.989218
"325226"	420.176647	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+H+Na"	23.996494
"718741"	624.265847	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+H+Na"	23.996494
"1468191"	216.087447	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H+Na"	23.996494
"1063623"	144.394056666667	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2H+Na"	25.00377
"1266398"	441.211886	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+CH3OH+H"	33.033486
"386070"	855.319958	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+K"	38.963158
"749249"	1263.498358	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+K"	38.963158
"1553489"	447.141558	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+K"	38.963158
"310665"	428.163617	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+H+K"	39.970434
"698713"	632.252817	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+H+K"	39.970434
"1451439"	224.074417	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H+K"	39.970434
"243324"	858.390626	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+ACN+H"	42.033826
"1216030"	450.212226	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+ACN+H"	42.033826
"1202102"	225.609751	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+ACN+2H"	43.041102
"197158"	861.32796	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+2Na-H"	44.97116
"634532"	1269.50636	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+2Na-H"	44.97116
"1135850"	453.14956	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2Na-H"	44.97116
"182421"	431.167618	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+2Na"	45.978436
"619795"	635.256818	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+2Na"	45.978436
"1120020"	227.078418	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2Na"	45.978436
"1401358"	151.721370666667	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H+2Na"	46.985712
"1437847"	455.191146	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H+HCOOH"	47.012746
"225353"	436.20064	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+3H2O+2H"	56.04448
"1514510"	469.24319	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+IsoProp+H"	61.06479
"408928"	439.154588	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+Na+K"	61.952376
"780671"	643.243788	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+Na+K"	61.952376
"1670440"	235.065388	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Na+K"	61.952376
"253311"	880.372568	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+ACN+Na"	64.015768
"1227841"	472.194168	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+ACN+Na"	64.015768
"1714904"	472.217693	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+NH4+HCOOH"	64.039293
"1183910"	159.048684666667	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+3Na"	68.967654
"1653072"	477.173088	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Na+HCOOH"	68.994688
"168319"	893.27584	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+2K-H"	76.91904
"608972"	1301.45424	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+2K-H"	76.91904
"1093484"	485.09744	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2K-H"	76.91904
"147020"	447.141558	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"2M+2K"	77.926316
"592049"	651.230758	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"3M+2K"	77.926316
"1082884"	243.052358	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2K"	77.926316
"1113907"	487.111992	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2K+H"	78.933592
"1345067"	487.199607	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+DMSO+H"	79.021207
"1017971"	491.238776	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2ACN+H"	83.060376
"1536096"	492.232408	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+IsoProp+Na+H"	84.054008
"1004611"	246.123026	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+2ACN+2H"	84.067652
"1602149"	493.147028	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+K+HCOOH"	84.968628
"1417239"	523.178538	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+H+CF3COOH"	115.000138
"1150808"	266.636301	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+3ACN+2H"	125.094202
"1700366"	540.205085	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+NH4+CF3COOH"	132.026685
"1636019"	545.16048	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+Na+CF3COOH"	136.98208
"1579325"	561.13442	"C09579"	"Vernoflexuoside"	"C21H28O8"	"408.1784"	"M+K+CF3COOH"	152.95602
"803130"	609.2965	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M"	0
"975931"	590.27811	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-H2O-H"	-19.01839
"67087"	405.190390666667	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M-3H"	-3.021828
"509935"	608.289224	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M-3H"	-3.021828
"886643"	202.091557333333	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-3H"	-3.021828
"8497"	608.289224	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M-2H"	-2.014552
"449151"	912.937474	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M-2H"	-2.014552
"823674"	303.640974	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-2H"	-2.014552
"89132"	1217.585724	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M-H"	-1.007276
"526506"	1826.882224	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M-H"	-1.007276
"901029"	608.289224	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-H"	-1.007276
"51030"	1234.612271	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M-2H+NH4"	16.019271
"497151"	1843.908771	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M-2H+NH4"	16.019271
"868396"	625.315771	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-2H+NH4"	16.019271
"37389"	1239.567666	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M-2H+Na"	20.974666
"471887"	1848.864166	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M-2H+Na"	20.974666
"854752"	630.271166	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-2H+Na"	20.974666
"1623191"	630.271166	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Na-2H"	20.974666
"99718"	626.277563	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M-H+Cl"	33.962126
"535026"	930.925813	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M-H+Cl"	33.962126
"927568"	321.629313	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-H+Cl"	33.962126
"267825"	1253.562402	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+Cl"	34.969402
"660287"	1862.858902	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+Cl"	34.969402
"1273750"	644.265902	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Cl"	34.969402
"16224"	1255.541606	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M-2H+K"	36.948606
"456474"	1864.838106	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M-2H+K"	36.948606
"837193"	646.245106	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-2H+K"	36.948606
"1561411"	646.245106	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+K-2H"	36.948606
"947834"	654.294694	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-H+HCOOH"	44.998194
"364957"	1263.591201	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+HCOOH-H"	44.998201
"348111"	1277.606851	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+Hac-H"	59.013851
"1495849"	668.310351	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Hac-H"	59.013851
"961569"	676.276651	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-H+NaCOOH"	66.980151
"115579"	644.265902	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+2Cl"	69.938804
"552952"	948.914152	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+2Cl"	69.938804
"1022601"	339.617652	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2Cl"	69.938804
"1243152"	688.215385	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Br"	78.918885
"1304990"	690.271372	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Cl+HCOOH"	80.974872
"1331492"	712.253329	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Cl+NaCOOH"	102.956829
"917084"	722.282086	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M-H+CF3COOH"	112.985586
"1292697"	758.258764	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Cl+CF3COOH"	148.962264
"1370127"	574.283824	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H-2H2O"	-35.012676
"1387263"	592.2938	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H-H2O"	-17.0027
"285490"	1219.600276	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+H"	1.007276
"677177"	1828.896776	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+H"	1.007276
"1352187"	610.303776	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H"	1.007276
"125732"	610.303776	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+2H"	2.014552
"566088"	914.952026	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+2H"	2.014552
"1037125"	305.655526	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2H"	2.014552
"208514"	407.204942666667	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+3H"	3.021828
"652089"	610.303776	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+3H"	3.021828
"1171310"	204.106109333333	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+3H"	3.021828
"433490"	1236.626823	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+NH4"	18.033823
"795578"	1845.923323	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+NH4"	18.033823
"1689721"	627.330323	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+NH4"	18.033823
"339094"	618.8170495	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+H+NH4"	19.041099
"738337"	923.4652995	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+H+NH4"	19.041099
"1491780"	314.1687995	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H+NH4"	19.041099
"407798"	1241.582218	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+Na"	22.989218
"769402"	1850.878718	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+Na"	22.989218
"1618298"	632.285718	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Na"	22.989218
"329272"	621.294747	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+H+Na"	23.996494
"718852"	925.942997	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+H+Na"	23.996494
"1469395"	316.646497	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H+Na"	23.996494
"1064825"	211.433423333333	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2H+Na"	25.00377
"1268695"	642.329986	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+CH3OH+H"	33.033486
"387275"	1257.556158	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+K"	38.963158
"750452"	1866.852658	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+K"	38.963158
"1549225"	648.259658	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+K"	38.963158
"307493"	629.281717	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+H+K"	39.970434
"699915"	933.929967	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+H+K"	39.970434
"1457016"	324.633467	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H+K"	39.970434
"245620"	1260.626826	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+ACN+H"	42.033826
"1218327"	651.330326	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+ACN+H"	42.033826
"1205492"	326.168801	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+ACN+2H"	43.041102
"200548"	1263.56416	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+2Na-H"	44.97116
"641202"	1872.86066	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+2Na-H"	44.97116
"1142520"	654.26766	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2Na-H"	44.97116
"182531"	632.285718	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+2Na"	45.978436
"623185"	936.933968	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+2Na"	45.978436
"1123411"	327.637468	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2Na"	45.978436
"1406936"	218.760737333333	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H+2Na"	46.985712
"1441237"	656.309246	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H+HCOOH"	47.012746
"225463"	637.31874	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+3H2O+2H"	56.04448
"1518994"	670.36129	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+IsoProp+H"	61.06479
"408654"	640.272688	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+Na+K"	61.952376
"782968"	944.920938	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+Na+K"	61.952376
"1670550"	335.624438	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Na+K"	61.952376
"251963"	1282.608768	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+ACN+Na"	64.015768
"1226858"	673.312268	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+ACN+Na"	64.015768
"1713795"	673.335793	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+NH4+HCOOH"	64.039293
"1182927"	226.088051333333	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+3Na"	68.967654
"1652818"	678.291188	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Na+HCOOH"	68.994688
"170616"	1295.51204	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+2K-H"	76.91904
"607989"	1904.80854	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+2K-H"	76.91904
"1092501"	686.21554	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2K-H"	76.91904
"146036"	648.259658	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"2M+2K"	77.926316
"591066"	952.907908	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"3M+2K"	77.926316
"1082999"	343.611408	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2K"	77.926316
"1114144"	688.230092	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2K+H"	78.933592
"1350159"	688.317707	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+DMSO+H"	79.021207
"1019052"	692.356876	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2ACN+H"	83.060376
"1539243"	693.350508	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+IsoProp+Na+H"	84.054008
"1004358"	346.682076	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+2ACN+2H"	84.067652
"1601167"	694.265128	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+K+HCOOH"	84.968628
"1417349"	724.296638	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+H+CF3COOH"	115.000138
"1150918"	367.195351	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+3ACN+2H"	125.094202
"1697680"	741.323185	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+NH4+CF3COOH"	132.026685
"1636129"	746.27858	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+Na+CF3COOH"	136.98208
"1582715"	762.25252	"C09580"	"Macoline"	"C37H41N2O6"	"609.2965"	"M+K+CF3COOH"	152.95602
"803604"	342.1705	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M"	0
"974389"	323.15211	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-H2O-H"	-19.01839
"63918"	227.106390666667	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M-3H"	-3.021828
"508952"	341.163224	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M-3H"	-3.021828
"887846"	113.049557333333	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-3H"	-3.021828
"6420"	341.163224	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M-2H"	-2.014552
"448168"	512.248474	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M-2H"	-2.014552
"822691"	170.077974	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-2H"	-2.014552
"87056"	683.333724	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M-H"	-1.007276
"526616"	1025.504224	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M-H"	-1.007276
"901139"	341.163224	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-H"	-1.007276
"51140"	700.360271	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M-2H+NH4"	16.019271
"490700"	1042.530771	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M-2H+NH4"	16.019271
"871785"	358.189771	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-2H+NH4"	16.019271
"37498"	705.315666	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M-2H+Na"	20.974666
"471832"	1047.486166	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M-2H+Na"	20.974666
"850000"	363.145166	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-2H+Na"	20.974666
"1622208"	363.145166	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Na-2H"	20.974666
"97642"	359.151563	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M-H+Cl"	33.962126
"535257"	530.236813	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M-H+Cl"	33.962126
"927710"	188.066313	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-H+Cl"	33.962126
"267323"	719.310402	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+Cl"	34.969402
"661334"	1061.480902	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+Cl"	34.969402
"1274591"	377.139902	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Cl"	34.969402
"16051"	721.289606	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M-2H+K"	36.948606
"458773"	1063.460106	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M-2H+K"	36.948606
"835116"	379.119106	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-2H+K"	36.948606
"1562249"	379.119106	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+K-2H"	36.948606
"946121"	387.168694	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-H+HCOOH"	44.998194
"365430"	729.339201	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+HCOOH-H"	44.998201
"349314"	743.354851	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+Hac-H"	59.013851
"1493772"	401.184351	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Hac-H"	59.013851
"963501"	409.150651	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-H+NaCOOH"	66.980151
"112771"	377.139902	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+2Cl"	69.938804
"554155"	548.225152	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+2Cl"	69.938804
"1022710"	206.054652	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2Cl"	69.938804
"1242044"	421.089385	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Br"	78.918885
"1305345"	423.145372	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Cl+HCOOH"	80.974872
"1328321"	445.127329	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Cl+NaCOOH"	102.956829
"917193"	455.156086	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M-H+CF3COOH"	112.985586
"1292441"	491.132764	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Cl+CF3COOH"	148.962264
"1369144"	307.157824	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H-2H2O"	-35.012676
"1389559"	325.1678	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H-H2O"	-17.0027
"285236"	685.348276	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+H"	1.007276
"675949"	1027.518776	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+H"	1.007276
"1351429"	343.177776	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H"	1.007276
"125717"	343.177776	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+2H"	2.014552
"565868"	514.263026	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+2H"	2.014552
"1037115"	172.092526	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2H"	2.014552
"206438"	229.120942666667	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+3H"	3.021828
"652199"	343.177776	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+3H"	3.021828
"1170327"	115.064109333333	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+3H"	3.021828
"433600"	702.374823	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+NH4"	18.033823
"794594"	1044.545323	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+NH4"	18.033823
"1689831"	360.204323	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+NH4"	18.033823
"339204"	351.6910495	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+H+NH4"	19.041099
"738168"	522.7762995	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+H+NH4"	19.041099
"1491283"	180.6057995	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H+NH4"	19.041099
"408355"	707.330218	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+Na"	22.989218
"769792"	1049.500718	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+Na"	22.989218
"1618259"	365.159718	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Na"	22.989218
"329752"	354.168747	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+H+Na"	23.996494
"722615"	525.253997	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+H+Na"	23.996494
"1474968"	183.083497	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H+Na"	23.996494
"1061652"	122.391423333333	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2H+Na"	25.00377
"1270628"	375.203986	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+CH3OH+H"	33.033486
"386292"	723.304158	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+K"	38.963158
"749469"	1065.474658	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+K"	38.963158
"1549335"	381.133658	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+K"	38.963158
"307603"	362.155717	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+H+K"	39.970434
"698932"	533.240967	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+H+K"	39.970434
"1453846"	191.070467	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H+K"	39.970434
"247552"	726.374826	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+ACN+H"	42.033826
"1218437"	384.204326	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+ACN+H"	42.033826
"1204509"	192.605801	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+ACN+2H"	43.041102
"200658"	729.31216	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+2Na-H"	44.97116
"641312"	1071.48266	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+2Na-H"	44.97116
"1142630"	387.14166	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2Na-H"	44.97116
"183737"	365.159718	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+2Na"	45.978436
"620016"	536.244968	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+2Na"	45.978436
"1123521"	194.074468	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2Na"	45.978436
"1399755"	129.718737333333	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H+2Na"	46.985712
"1435881"	389.183246	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H+HCOOH"	47.012746
"224481"	370.19274	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+3H2O+2H"	56.04448
"1511815"	403.23529	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+IsoProp+H"	61.06479
"409067"	373.146688	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+Na+K"	61.952376
"783078"	544.231938	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+Na+K"	61.952376
"1672846"	202.061438	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Na+K"	61.952376
"256447"	748.356768	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+ACN+Na"	64.015768
"1229155"	406.186268	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+ACN+Na"	64.015768
"1713302"	406.209793	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+NH4+HCOOH"	64.039293
"1186316"	137.046051333333	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+3Na"	68.967654
"1652928"	411.165188	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Na+HCOOH"	68.994688
"171819"	761.26004	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+2K-H"	76.91904
"609192"	1103.43054	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+2K-H"	76.91904
"1093704"	419.08954	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2K-H"	76.91904
"143960"	381.133658	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"2M+2K"	77.926316
"585705"	552.218908	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"3M+2K"	77.926316
"1080062"	210.048408	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2K"	77.926316
"1113272"	421.104092	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2K+H"	78.933592
"1347472"	421.191707	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+DMSO+H"	79.021207
"1017095"	425.230876	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2ACN+H"	83.060376
"1535220"	426.224508	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+IsoProp+Na+H"	84.054008
"1004829"	213.119076	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+2ACN+2H"	84.067652
"1600547"	427.139128	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+K+HCOOH"	84.968628
"1416366"	457.170638	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+H+CF3COOH"	115.000138
"1151028"	233.632351	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+3ACN+2H"	125.094202
"1698033"	474.197185	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+NH4+CF3COOH"	132.026685
"1638426"	479.15258	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+Na+CF3COOH"	136.98208
"1586105"	495.12652	"C09581"	"Magnoflorine"	"C20H24NO4"	"342.1705"	"M+K+CF3COOH"	152.95602
"803351"	276.0998	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M"	0
"974477"	257.08141	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-H2O-H"	-19.01839
"63070"	183.059257333333	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M-3H"	-3.021828
"506873"	275.092524	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M-3H"	-3.021828
"880420"	91.0259906666667	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-3H"	-3.021828
"4343"	275.092524	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M-2H"	-2.014552
"444268"	413.142424	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M-2H"	-2.014552
"823892"	137.042624	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-2H"	-2.014552
"81700"	551.192324	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M-H"	-1.007276
"524541"	827.292124	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M-H"	-1.007276
"900156"	275.092524	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-H"	-1.007276
"48091"	568.218871	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M-2H+NH4"	16.019271
"494091"	844.318671	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M-2H+NH4"	16.019271
"868616"	292.119071	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-2H+NH4"	16.019271
"39796"	573.174266	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M-2H+Na"	20.974666
"471419"	849.274066	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M-2H+Na"	20.974666
"851692"	297.074466	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-2H+Na"	20.974666
"1624505"	297.074466	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Na-2H"	20.974666
"97752"	293.080863	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M-H+Cl"	33.962126
"535004"	431.130763	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M-H+Cl"	33.962126
"927790"	155.030963	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-H+Cl"	33.962126
"267190"	587.169002	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+Cl"	34.969402
"660472"	863.268802	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+Cl"	34.969402
"1274580"	311.069202	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Cl"	34.969402
"16157"	589.148206	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M-2H+K"	36.948606
"459615"	865.248006	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M-2H+K"	36.948606
"839602"	313.048406	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-2H+K"	36.948606
"1562360"	313.048406	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+K-2H"	36.948606
"945867"	321.097994	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-H+HCOOH"	44.998194
"365177"	597.197801	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+HCOOH-H"	44.998201
"349424"	611.213451	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+Hac-H"	59.013851
"1493152"	335.113651	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Hac-H"	59.013851
"959601"	343.079951	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-H+NaCOOH"	66.980151
"115071"	311.069202	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+2Cl"	69.938804
"550863"	449.119102	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+2Cl"	69.938804
"1023063"	173.019302	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2Cl"	69.938804
"1242281"	355.018685	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Br"	78.918885
"1306547"	357.074672	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Cl+HCOOH"	80.974872
"1325151"	379.056629	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Cl+NaCOOH"	102.956829
"915117"	389.085386	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M-H+CF3COOH"	112.985586
"1295103"	425.062064	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Cl+CF3COOH"	148.962264
"1368890"	241.087124	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H-2H2O"	-35.012676
"1388576"	259.0971	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H-H2O"	-17.0027
"287171"	553.206876	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+H"	1.007276
"676428"	829.306676	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+H"	1.007276
"1351448"	277.107076	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H"	1.007276
"126137"	277.107076	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+2H"	2.014552
"566548"	415.156976	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+2H"	2.014552
"1037656"	139.057176	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2H"	2.014552
"204705"	185.073809333333	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+3H"	3.021828
"644591"	277.107076	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+3H"	3.021828
"1164586"	93.0405426666667	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+3H"	3.021828
"438450"	570.233423	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+NH4"	18.033823
"799081"	846.333223	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+NH4"	18.033823
"1694683"	294.133623	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+NH4"	18.033823
"339314"	285.6203495	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+H+NH4"	19.041099
"737817"	423.6702495	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+H+NH4"	19.041099
"1487744"	147.5704495	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H+NH4"	19.041099
"407522"	575.188818	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+Na"	22.989218
"769889"	851.288618	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+Na"	22.989218
"1618305"	299.089018	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Na"	22.989218
"329813"	288.098047	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+H+Na"	23.996494
"722558"	426.147947	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+H+Na"	23.996494
"1471798"	150.048147	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H+Na"	23.996494
"1061762"	100.367856666667	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2H+Na"	25.00377
"1265631"	309.133286	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+CH3OH+H"	33.033486
"387495"	591.162758	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+K"	38.963158
"749579"	867.262558	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+K"	38.963158
"1549445"	315.062958	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+K"	38.963158
"305526"	296.085017	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+H+K"	39.970434
"699042"	434.134917	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+H+K"	39.970434
"1457236"	158.035117	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H+K"	39.970434
"245840"	594.233426	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+ACN+H"	42.033826
"1217454"	318.133626	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+ACN+H"	42.033826
"1205349"	159.570451	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+ACN+2H"	43.041102
"200768"	597.17076	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+2Na-H"	44.97116
"638141"	873.27056	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+2Na-H"	44.97116
"1142376"	321.07096	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2Na-H"	44.97116
"183846"	299.089018	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+2Na"	45.978436
"617940"	437.138918	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+2Na"	45.978436
"1126912"	161.039118	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2Na"	45.978436
"1408250"	107.695170666667	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H+2Na"	46.985712
"1441094"	323.112546	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H+HCOOH"	47.012746
"230788"	304.12204	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+3H2O+2H"	56.04448
"1512656"	337.16459	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+IsoProp+H"	61.06479
"409065"	307.075988	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+Na+K"	61.952376
"783188"	445.125888	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+Na+K"	61.952376
"1672956"	169.026088	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Na+K"	61.952376
"256193"	616.215368	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+ACN+Na"	64.015768
"1225938"	340.115568	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+ACN+Na"	64.015768
"1715237"	340.139093	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+NH4+HCOOH"	64.039293
"1180592"	115.022484666667	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+3Na"	68.967654
"1656319"	345.094488	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Na+HCOOH"	68.994688
"162087"	629.11864	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+2K-H"	76.91904
"607115"	905.21844	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+2K-H"	76.91904
"1093814"	353.01884	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2K-H"	76.91904
"149539"	315.062958	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"2M+2K"	77.926316
"590193"	453.112858	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"3M+2K"	77.926316
"1079080"	177.013058	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2K"	77.926316
"1112289"	355.033392	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2K+H"	78.933592
"1344302"	355.121007	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+DMSO+H"	79.021207
"1015020"	359.160176	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2ACN+H"	83.060376
"1538247"	360.153808	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+IsoProp+Na+H"	84.054008
"998500"	180.083726	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+2ACN+2H"	84.067652
"1593004"	361.068428	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+K+HCOOH"	84.968628
"1420850"	391.099938	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+H+CF3COOH"	115.000138
"1151139"	200.597001	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+3ACN+2H"	125.094202
"1697410"	408.126485	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+NH4+CF3COOH"	132.026685
"1638536"	413.08188	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+Na+CF3COOH"	136.98208
"1586215"	429.05582	"C09582"	"Vernolepin"	"C15H16O5"	"276.0998"	"M+K+CF3COOH"	152.95602
"801615"	362.1366	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M"	0
"976992"	343.11821	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-H2O-H"	-19.01839
"64139"	240.417124	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M-3H"	-3.021828
"510263"	361.129324	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M-3H"	-3.021828
"883689"	119.704924	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-3H"	-3.021828
"8827"	361.129324	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M-2H"	-2.014552
"448388"	542.197624	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M-2H"	-2.014552
"825096"	180.061024	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-2H"	-2.014552
"83997"	723.265924	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M-H"	-1.007276
"524651"	1085.402524	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M-H"	-1.007276
"900266"	361.129324	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-H"	-1.007276
"48201"	740.292471	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M-2H+NH4"	16.019271
"494201"	1102.429071	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M-2H+NH4"	16.019271
"871642"	378.155871	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-2H+NH4"	16.019271
"38813"	745.247866	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M-2H+Na"	20.974666
"480561"	1107.384466	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M-2H+Na"	20.974666
"860185"	383.111266	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-2H+Na"	20.974666
"1625707"	383.111266	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Na-2H"	20.974666
"98954"	379.117663	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M-H+Cl"	33.962126
"538514"	560.185963	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M-H+Cl"	33.962126
"927131"	198.049363	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-H+Cl"	33.962126
"267666"	759.242602	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+Cl"	34.969402
"661922"	1121.379202	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+Cl"	34.969402
"1274325"	397.106002	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Cl"	34.969402
"16880"	761.221806	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M-2H+K"	36.948606
"459358"	1123.358406	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M-2H+K"	36.948606
"839712"	399.085206	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-2H+K"	36.948606
"1563200"	399.085206	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+K-2H"	36.948606
"946707"	407.134794	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-H+HCOOH"	44.998194
"363101"	769.271401	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+HCOOH-H"	44.998201
"348441"	783.287051	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+Hac-H"	59.013851
"1493626"	421.150451	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Hac-H"	59.013851
"960072"	429.116751	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-H+NaCOOH"	66.980151
"115183"	397.106002	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+2Cl"	69.938804
"551826"	578.174302	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+2Cl"	69.938804
"1022080"	216.037702	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2Cl"	69.938804
"1241495"	441.055485	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Br"	78.918885
"1304591"	443.111472	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Cl+HCOOH"	80.974872
"1326354"	465.093429	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Cl+NaCOOH"	102.956829
"917413"	475.122186	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M-H+CF3COOH"	112.985586
"1295213"	511.098864	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Cl+CF3COOH"	148.962264
"1369364"	327.123924	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H-2H2O"	-35.012676
"1390872"	345.1339	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H-H2O"	-17.0027
"289467"	725.280476	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+H"	1.007276
"677511"	1087.417076	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+H"	1.007276
"1352400"	363.143876	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H"	1.007276
"126050"	363.143876	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+2H"	2.014552
"566422"	544.212176	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+2H"	2.014552
"1037400"	182.075576	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2H"	2.014552
"204398"	242.431676	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+3H"	3.021828
"645107"	363.143876	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+3H"	3.021828
"1164330"	121.719476	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+3H"	3.021828
"438564"	742.307023	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+NH4"	18.033823
"800775"	1104.443623	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+NH4"	18.033823
"1695401"	380.170423	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+NH4"	18.033823
"339423"	371.6571495	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+H+NH4"	19.041099
"737810"	552.7254495	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+H+NH4"	19.041099
"1490405"	190.5888495	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H+NH4"	19.041099
"405078"	747.262418	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+Na"	22.989218
"767531"	1109.399018	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+Na"	22.989218
"1618027"	385.125818	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Na"	22.989218
"329317"	374.134847	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+H+Na"	23.996494
"722714"	555.203147	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+H+Na"	23.996494
"1475188"	193.066547	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H+Na"	23.996494
"1062966"	129.04679	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2H+Na"	25.00377
"1265737"	395.170086	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+CH3OH+H"	33.033486
"382132"	763.236358	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+K"	38.963158
"747503"	1125.372958	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+K"	38.963158
"1552837"	401.099758	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+K"	38.963158
"311105"	382.121817	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+H+K"	39.970434
"699152"	563.190117	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+H+K"	39.970434
"1457346"	201.053517	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H+K"	39.970434
"244856"	766.307026	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+ACN+H"	42.033826
"1218657"	404.170426	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+ACN+H"	42.033826
"1203636"	202.588851	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+ACN+2H"	43.041102
"197598"	769.24436	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+2Na-H"	44.97116
"640802"	1131.38096	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+2Na-H"	44.97116
"1140663"	407.10776	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2Na-H"	44.97116
"183593"	385.125818	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+2Na"	45.978436
"622423"	566.194118	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+2Na"	45.978436
"1125929"	204.057518	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2Na"	45.978436
"1407268"	136.374104	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H+2Na"	46.985712
"1438287"	409.149346	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H+HCOOH"	47.012746
"224701"	390.15884	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+3H2O+2H"	56.04448
"1509727"	423.20139	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+IsoProp+H"	61.06479
"408608"	393.112788	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+Na+K"	61.952376
"783298"	574.181088	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+Na+K"	61.952376
"1677442"	212.044488	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Na+K"	61.952376
"257398"	788.288968	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+ACN+Na"	64.015768
"1227554"	426.152368	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+ACN+Na"	64.015768
"1714619"	426.175893	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+NH4+HCOOH"	64.039293
"1186536"	143.701418	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+3Na"	68.967654
"1660804"	431.131288	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Na+HCOOH"	68.994688
"166571"	801.19224	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+2K-H"	76.91904
"608320"	1163.32884	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+2K-H"	76.91904
"1092831"	439.05564	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2K-H"	76.91904
"151835"	401.099758	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"2M+2K"	77.926316
"589208"	582.168058	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"3M+2K"	77.926316
"1072626"	220.031458	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2K"	77.926316
"1109118"	441.070192	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2K+H"	78.933592
"1345507"	441.157807	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+DMSO+H"	79.021207
"1016224"	445.196976	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2ACN+H"	83.060376
"1535441"	446.190608	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+IsoProp+Na+H"	84.054008
"997517"	223.102126	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+2ACN+2H"	84.067652
"1594207"	447.105228	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+K+HCOOH"	84.968628
"1420960"	477.136738	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+H+CF3COOH"	115.000138
"1153436"	243.615401	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+3ACN+2H"	125.094202
"1698615"	494.163285	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+NH4+CF3COOH"	132.026685
"1638646"	499.11868	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+Na+CF3COOH"	136.98208
"1576484"	515.09262	"C09583"	"Vernolide"	"C19H22O7"	"362.1366"	"M+K+CF3COOH"	152.95602
"801745"	276.0998	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M"	0
"980383"	257.08141	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-H2O-H"	-19.01839
"67531"	183.059257333333	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M-3H"	-3.021828
"513653"	275.092524	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M-3H"	-3.021828
"888174"	91.0259906666667	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-3H"	-3.021828
"10761"	275.092524	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M-2H"	-2.014552
"451414"	413.142424	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M-2H"	-2.014552
"826302"	137.042624	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-2H"	-2.014552
"85200"	551.192324	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M-H"	-1.007276
"524761"	827.292124	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M-H"	-1.007276
"903657"	275.092524	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-H"	-1.007276
"51471"	568.218871	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M-2H+NH4"	16.019271
"498323"	844.318671	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M-2H+NH4"	16.019271
"868837"	292.119071	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-2H+NH4"	16.019271
"36737"	573.174266	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M-2H+Na"	20.974666
"478485"	849.274066	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M-2H+Na"	20.974666
"855192"	297.074466	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-2H+Na"	20.974666
"1629098"	297.074466	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Na-2H"	20.974666
"102346"	293.080863	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M-H+Cl"	33.962126
"542998"	431.130763	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M-H+Cl"	33.962126
"927189"	155.030963	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-H+Cl"	33.962126
"267157"	587.169002	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+Cl"	34.969402
"661303"	863.268802	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+Cl"	34.969402
"1273583"	311.069202	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Cl"	34.969402
"16627"	589.148206	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M-2H+K"	36.948606
"457646"	865.248006	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M-2H+K"	36.948606
"835813"	313.048406	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-2H+K"	36.948606
"1563311"	313.048406	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+K-2H"	36.948606
"946089"	321.097994	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-H+HCOOH"	44.998194
"367221"	597.197801	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+HCOOH-H"	44.998201
"354385"	611.213451	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+Hac-H"	59.013851
"1498115"	335.113651	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Hac-H"	59.013851
"967481"	343.079951	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-H+NaCOOH"	66.980151
"113105"	311.069202	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+2Cl"	69.938804
"555948"	449.119102	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+2Cl"	69.938804
"1022555"	173.019302	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2Cl"	69.938804
"1241647"	355.018685	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Br"	78.918885
"1310056"	357.074672	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Cl+HCOOH"	80.974872
"1326464"	379.056629	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Cl+NaCOOH"	102.956829
"913149"	389.085386	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M-H+CF3COOH"	112.985586
"1292042"	425.062064	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Cl+CF3COOH"	148.962264
"1371299"	241.087124	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H-2H2O"	-35.012676
"1390982"	259.0971	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H-H2O"	-17.0027
"285565"	553.206876	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+H"	1.007276
"677259"	829.306676	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+H"	1.007276
"1352268"	277.107076	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H"	1.007276
"126853"	277.107076	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+2H"	2.014552
"566042"	415.156976	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+2H"	2.014552
"1037759"	139.057176	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2H"	2.014552
"204302"	185.073809333333	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+3H"	3.021828
"644611"	277.107076	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+3H"	3.021828
"1164575"	93.0405426666667	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+3H"	3.021828
"438917"	570.233423	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+NH4"	18.033823
"800522"	846.333223	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+NH4"	18.033823
"1696248"	294.133623	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+NH4"	18.033823
"343548"	285.6203495	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+H+NH4"	19.041099
"737799"	423.6702495	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+H+NH4"	19.041099
"1487964"	147.5704495	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H+NH4"	19.041099
"408113"	575.188818	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+Na"	22.989218
"769111"	851.288618	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+Na"	22.989218
"1616959"	299.089018	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Na"	22.989218
"327603"	288.098047	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+H+Na"	23.996494
"721725"	426.147947	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+H+Na"	23.996494
"1475301"	150.048147	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H+Na"	23.996494
"1066359"	100.367856666667	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2H+Na"	25.00377
"1269132"	309.133286	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+CH3OH+H"	33.033486
"382242"	591.162758	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+K"	38.963158
"747613"	867.262558	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+K"	38.963158
"1549667"	315.062958	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+K"	38.963158
"310122"	296.085017	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+H+K"	39.970434
"703637"	434.134917	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+H+K"	39.970434
"1456364"	158.035117	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H+K"	39.970434
"243873"	594.233426	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+ACN+H"	42.033826
"1218767"	318.133626	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+ACN+H"	42.033826
"1202653"	159.570451	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+ACN+2H"	43.041102
"196615"	597.17076	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+2Na-H"	44.97116
"640912"	873.27056	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+2Na-H"	44.97116
"1142961"	321.07096	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2Na-H"	44.97116
"181880"	299.089018	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+2Na"	45.978436
"624721"	437.138918	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+2Na"	45.978436
"1126769"	161.039118	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2Na"	45.978436
"1409563"	107.695170666667	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H+2Na"	46.985712
"1439491"	323.112546	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H+HCOOH"	47.012746
"228092"	304.12204	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+3H2O+2H"	56.04448
"1515062"	337.16459	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+IsoProp+H"	61.06479
"410375"	307.075988	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+Na+K"	61.952376
"782315"	445.125888	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+Na+K"	61.952376
"1676459"	169.026088	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Na+K"	61.952376
"257508"	616.215368	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+ACN+Na"	64.015768
"1230218"	340.115568	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+ACN+Na"	64.015768
"1719104"	340.139093	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+NH4+HCOOH"	64.039293
"1181541"	115.022484666667	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+3Na"	68.967654
"1664195"	345.094488	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Na+HCOOH"	68.994688
"166682"	629.11864	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+2K-H"	76.91904
"605150"	905.21844	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+2K-H"	76.91904
"1089661"	353.01884	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2K-H"	76.91904
"151945"	315.062958	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"2M+2K"	77.926316
"587131"	453.112858	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"3M+2K"	77.926316
"1073830"	177.013058	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2K"	77.926316
"1104854"	355.033392	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2K+H"	78.933592
"1344522"	355.121007	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+DMSO+H"	79.021207
"1016333"	359.160176	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2ACN+H"	83.060376
"1536645"	360.153808	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+IsoProp+Na+H"	84.054008
"1004186"	180.083726	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+2ACN+2H"	84.067652
"1594318"	361.068428	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+K+HCOOH"	84.968628
"1418885"	391.099938	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+H+CF3COOH"	115.000138
"1153546"	200.597001	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+3ACN+2H"	125.094202
"1699091"	408.126485	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+NH4+CF3COOH"	132.026685
"1635470"	413.08188	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+Na+CF3COOH"	136.98208
"1576594"	429.05582	"C09584"	"Vernomenin"	"C15H16O5"	"276.0998"	"M+K+CF3COOH"	152.95602
"810243"	364.1522	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M"	0
"977214"	345.13381	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-H2O-H"	-19.01839
"72017"	241.760857333333	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M-3H"	-3.021828
"515952"	363.144924	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M-3H"	-3.021828
"893756"	120.376790666667	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-3H"	-3.021828
"11600"	363.144924	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M-2H"	-2.014552
"448612"	545.221024	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M-2H"	-2.014552
"825321"	181.068824	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-2H"	-2.014552
"85313"	727.297124	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M-H"	-1.007276
"525967"	1091.449324	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M-H"	-1.007276
"906685"	363.144924	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-H"	-1.007276
"60331"	744.323671	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M-2H+NH4"	16.019271
"495519"	1108.475871	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M-2H+NH4"	16.019271
"870042"	380.171471	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-2H+NH4"	16.019271
"33934"	749.279066	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M-2H+Na"	20.974666
"472067"	1113.431266	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M-2H+Na"	20.974666
"848986"	385.126866	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-2H+Na"	20.974666
"1619370"	385.126866	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Na-2H"	20.974666
"95897"	381.133263	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M-H+Cl"	33.962126
"539828"	563.209363	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M-H+Cl"	33.962126
"927789"	199.057163	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-H+Cl"	33.962126
"268006"	763.273802	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+Cl"	34.969402
"664331"	1127.426002	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+Cl"	34.969402
"1275640"	399.121602	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Cl"	34.969402
"23665"	765.253006	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M-2H+K"	36.948606
"462132"	1129.405206	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M-2H+K"	36.948606
"837747"	401.100806	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-2H+K"	36.948606
"1565607"	401.100806	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+K-2H"	36.948606
"949117"	409.150394	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-H+HCOOH"	44.998194
"370612"	773.302601	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+HCOOH-H"	44.998201
"352308"	787.318251	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+Hac-H"	59.013851
"1497861"	423.166051	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Hac-H"	59.013851
"969414"	431.132351	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-H+NaCOOH"	66.980151
"115767"	399.121602	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+2Cl"	69.938804
"555694"	581.197702	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+2Cl"	69.938804
"1021814"	217.045502	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2Cl"	69.938804
"1241879"	443.071085	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Br"	78.918885
"1310530"	445.127072	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Cl+HCOOH"	80.974872
"1326575"	467.109029	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Cl+NaCOOH"	102.956829
"915446"	477.137786	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M-H+CF3COOH"	112.985586
"1293248"	513.114464	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Cl+CF3COOH"	148.962264
"1371409"	329.139524	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H-2H2O"	-35.012676
"1391093"	347.1495	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H-H2O"	-17.0027
"287132"	729.311676	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+H"	1.007276
"678460"	1093.463876	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+H"	1.007276
"1355173"	365.159476	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H"	1.007276
"125871"	365.159476	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+2H"	2.014552
"565871"	547.235576	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+2H"	2.014552
"1037299"	183.083376	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2H"	2.014552
"204914"	243.775409333333	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+3H"	3.021828
"645084"	365.159476	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+3H"	3.021828
"1164322"	122.391342666667	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+3H"	3.021828
"439842"	746.338223	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+NH4"	18.033823
"801319"	1110.490423	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+NH4"	18.033823
"1695742"	382.186023	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+NH4"	18.033823
"344752"	373.6727495	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+H+NH4"	19.041099
"738067"	555.7488495	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+H+NH4"	19.041099
"1489167"	191.5966495	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H+NH4"	19.041099
"407484"	751.293618	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+Na"	22.989218
"768725"	1115.445818	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+Na"	22.989218
"1614760"	387.141418	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Na"	22.989218
"324798"	376.150447	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+H+Na"	23.996494
"717217"	558.226547	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+H+Na"	23.996494
"1471039"	194.074347	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H+Na"	23.996494
"1062097"	129.718656666667	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2H+Na"	25.00377
"1265963"	397.185686	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+CH3OH+H"	33.033486
"383445"	767.267558	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+K"	38.963158
"747723"	1131.419758	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+K"	38.963158
"1553057"	403.115358	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+K"	38.963158
"308045"	384.137417	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+H+K"	39.970434
"702653"	566.213517	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+H+K"	39.970434
"1457932"	202.061317	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H+K"	39.970434
"248723"	770.338226	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+ACN+H"	42.033826
"1219971"	406.186026	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+ACN+H"	42.033826
"1206408"	203.596651	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+ACN+2H"	43.041102
"198911"	773.27556	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+2Na-H"	44.97116
"641386"	1137.42776	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+2Na-H"	44.97116
"1143435"	409.12336	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2Na-H"	44.97116
"183083"	387.141418	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+2Na"	45.978436
"625559"	569.217518	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+2Na"	45.978436
"1128337"	205.065318	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2Na"	45.978436
"1408581"	137.045970666667	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H+2Na"	46.985712
"1439602"	411.164946	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H+HCOOH"	47.012746
"228203"	392.17444	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+3H2O+2H"	56.04448
"1510798"	425.21699	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+IsoProp+H"	61.06479
"409391"	395.128388	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+Na+K"	61.952376
"778050"	577.204488	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+Na+K"	61.952376
"1667821"	213.052288	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Na+K"	61.952376
"252153"	792.320168	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+ACN+Na"	64.015768
"1225764"	428.167968	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+ACN+Na"	64.015768
"1713746"	428.191493	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+NH4+HCOOH"	64.039293
"1180558"	144.373284666667	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+3Na"	68.967654
"1661024"	433.146888	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Na+HCOOH"	68.994688
"163512"	805.22344	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+2K-H"	76.91904
"610363"	1169.37564	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+2K-H"	76.91904
"1089771"	441.07124	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2K-H"	76.91904
"149868"	403.115358	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"2M+2K"	77.926316
"586148"	585.191458	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"3M+2K"	77.926316
"1073940"	221.039258	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2K"	77.926316
"1102411"	443.085792	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2K+H"	78.933592
"1344633"	443.173407	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+DMSO+H"	79.021207
"1017537"	447.212576	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2ACN+H"	83.060376
"1533476"	448.206208	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+IsoProp+Na+H"	84.054008
"1002111"	224.109926	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+2ACN+2H"	84.067652
"1594428"	449.120828	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+K+HCOOH"	84.968628
"1418994"	479.152338	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+H+CF3COOH"	115.000138
"1147828"	244.623201	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+3ACN+2H"	125.094202
"1698107"	496.178885	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+NH4+CF3COOH"	132.026685
"1634853"	501.13428	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+Na+CF3COOH"	136.98208
"1573424"	517.10822	"C09585"	"Vernomygdin"	"C19H24O7"	"364.1522"	"M+K+CF3COOH"	152.95602
"809259"	392.1835	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M"	0
"976229"	373.16511	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-H2O-H"	-19.01839
"68845"	260.448390666667	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M-3H"	-3.021828
"508406"	391.176224	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M-3H"	-3.021828
"891675"	129.720557333333	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-3H"	-3.021828
"13167"	391.176224	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M-2H"	-2.014552
"446531"	587.267974	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M-2H"	-2.014552
"821054"	195.084474	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-2H"	-2.014552
"83232"	783.359724	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M-H"	-1.007276
"519387"	1175.543224	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M-H"	-1.007276
"896218"	391.176224	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-H"	-1.007276
"52786"	800.386271	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M-2H+NH4"	16.019271
"498545"	1192.569771	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M-2H+NH4"	16.019271
"873429"	408.202771	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-2H+NH4"	16.019271
"34770"	805.341666	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M-2H+Na"	20.974666
"476517"	1197.525166	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M-2H+Na"	20.974666
"853224"	413.158166	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-2H+Na"	20.974666
"1626038"	413.158166	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Na-2H"	20.974666
"95393"	409.164563	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M-H+Cl"	33.962126
"536046"	605.256313	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M-H+Cl"	33.962126
"927500"	213.072813	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-H+Cl"	33.962126
"267998"	819.336402	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+Cl"	34.969402
"665534"	1211.519902	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+Cl"	34.969402
"1279030"	427.152902	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Cl"	34.969402
"23775"	821.315606	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M-2H+K"	36.948606
"462242"	1213.499106	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M-2H+K"	36.948606
"838951"	429.132106	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-2H+K"	36.948606
"1564624"	429.132106	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+K-2H"	36.948606
"953237"	437.181694	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-H+HCOOH"	44.998194
"372183"	829.365201	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+HCOOH-H"	44.998201
"352418"	843.380851	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+Hac-H"	59.013851
"1501251"	451.197351	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Hac-H"	59.013851
"968431"	459.163651	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-H+NaCOOH"	66.980151
"115513"	427.152902	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+2Cl"	69.938804
"556169"	623.244652	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+2Cl"	69.938804
"1022770"	231.061152	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2Cl"	69.938804
"1241989"	471.102385	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Br"	78.918885
"1311369"	473.158372	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Cl+HCOOH"	80.974872
"1322312"	495.140329	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Cl+NaCOOH"	102.956829
"916651"	505.169086	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M-H+CF3COOH"	112.985586
"1295546"	541.145764	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Cl+CF3COOH"	148.962264
"1373707"	357.170824	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H-2H2O"	-35.012676
"1387924"	375.1808	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H-H2O"	-17.0027
"285783"	785.374276	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+H"	1.007276
"678934"	1177.557776	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+H"	1.007276
"1352118"	393.190776	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H"	1.007276
"125974"	393.190776	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+2H"	2.014552
"565785"	589.282526	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+2H"	2.014552
"1037284"	197.099026	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2H"	2.014552
"204323"	262.462942666667	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+3H"	3.021828
"644713"	393.190776	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+3H"	3.021828
"1162927"	131.735109333333	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+3H"	3.021828
"424740"	802.400823	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+NH4"	18.033823
"799156"	1194.584323	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+NH4"	18.033823
"1691476"	410.217323	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+NH4"	18.033823
"341941"	401.7040495	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+H+NH4"	19.041099
"731081"	597.7957995	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+H+NH4"	19.041099
"1489275"	205.6122995	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H+NH4"	19.041099
"406501"	807.356218	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+Na"	22.989218
"768590"	1199.539718	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+Na"	22.989218
"1614872"	415.172718	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Na"	22.989218
"324908"	404.181747	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+H+Na"	23.996494
"717329"	600.273497	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+H+Na"	23.996494
"1470055"	208.089997	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H+Na"	23.996494
"1061113"	139.062423333333	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2H+Na"	25.00377
"1263886"	425.216986	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+CH3OH+H"	33.033486
"384650"	823.330158	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+K"	38.963158
"753300"	1215.513658	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+K"	38.963158
"1549886"	431.146658	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+K"	38.963158
"310342"	412.168717	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+H+K"	39.970434
"701670"	608.260467	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+H+K"	39.970434
"1458406"	216.076967	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H+K"	39.970434
"249197"	826.400826	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+ACN+H"	42.033826
"1220081"	434.217326	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+ACN+H"	42.033826
"1208341"	217.612301	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+ACN+2H"	43.041102
"197928"	829.33816	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+2Na-H"	44.97116
"638580"	1221.52166	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+2Na-H"	44.97116
"1142087"	437.15466	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2Na-H"	44.97116
"183193"	415.172718	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+2Na"	45.978436
"626035"	611.264468	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+2Na"	45.978436
"1128447"	219.080968	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2Na"	45.978436
"1409784"	146.389737333333	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H+2Na"	46.985712
"1439712"	439.196246	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H+HCOOH"	47.012746
"229406"	420.20574	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+3H2O+2H"	56.04448
"1512001"	453.24829	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+IsoProp+H"	61.06479
"409378"	423.159688	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+Na+K"	61.952376
"778160"	619.251438	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+Na+K"	61.952376
"1667931"	227.067938	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Na+K"	61.952376
"253355"	848.382768	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+ACN+Na"	64.015768
"1227158"	456.199268	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+ACN+Na"	64.015768
"1714949"	456.222793	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+NH4+HCOOH"	64.039293
"1181397"	153.717051333333	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+3Na"	68.967654
"1655667"	461.178188	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Na+HCOOH"	68.994688
"163622"	861.28604	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+2K-H"	76.91904
"607557"	1253.46954	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+2K-H"	76.91904
"1094255"	469.10254	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2K-H"	76.91904
"144511"	431.146658	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"2M+2K"	77.926316
"585528"	627.238408	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"3M+2K"	77.926316
"1075143"	235.054908	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2K"	77.926316
"1101793"	471.117092	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2K+H"	78.933592
"1344742"	471.204707	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+DMSO+H"	79.021207
"1016554"	475.243876	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2ACN+H"	83.060376
"1534679"	476.237508	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+IsoProp+Na+H"	84.054008
"1002221"	238.125576	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+2ACN+2H"	84.067652
"1593444"	477.152128	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+K+HCOOH"	84.968628
"1415823"	507.183638	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+H+CF3COOH"	115.000138
"1148303"	258.638851	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+3ACN+2H"	125.094202
"1697853"	524.210185	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+NH4+CF3COOH"	132.026685
"1635692"	529.16558	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+Na+CF3COOH"	136.98208
"1576814"	545.13952	"C09586"	"Viguiestenin"	"C21H28O7"	"392.1835"	"M+K+CF3COOH"	152.95602
"801911"	306.1467	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M"	0
"983995"	287.12831	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"64583"	203.090524	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"513986"	305.139424	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"881580"	101.041624	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"1977"	305.139424	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"445551"	458.212774	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"821164"	152.066074	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"82251"	611.286124	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"520717"	917.432824	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"900706"	305.139424	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"53991"	628.312671	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"494646"	934.459371	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"866008"	322.165971	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"32936"	633.268066	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"473588"	939.414766	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"850539"	327.121366	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1620680"	327.121366	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"95018"	323.127763	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"534857"	476.201113	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"930655"	170.054413	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"267498"	647.262802	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"665644"	953.409502	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1282422"	341.116102	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"24979"	649.242006	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"462351"	955.388706	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"837966"	343.095306	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1566558"	343.095306	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"951160"	351.144894	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"364999"	657.291601	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"350704"	671.307251	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1495893"	365.160551	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"961974"	373.126851	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"114163"	341.116102	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"550806"	494.189452	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1021910"	188.042752	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1247940"	385.065585	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1308199"	387.121572	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1327891"	409.103529	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"921134"	419.132286	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1292376"	455.108964	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1374910"	271.134024	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1388032"	289.144	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"286987"	613.300676	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"680139"	919.447376	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1353204"	307.153976	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"125845"	307.153976	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"565733"	460.227326	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1037233"	154.080626	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"204655"	205.105076	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"644325"	307.153976	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1162997"	103.056176	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"424648"	630.327223	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"799267"	936.473923	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1696331"	324.180523	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"343147"	315.6672495	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"735566"	468.7405995	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1487196"	162.5938995	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"406614"	635.282618	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"769064"	941.429318	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1616072"	329.135918	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"326109"	318.144947	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"720717"	471.218297	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1471256"	165.071597	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1060132"	110.38349	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1265088"	339.180186	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"383667"	651.256558	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"750132"	957.403258	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1552185"	345.109858	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"310453"	326.131917	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"705063"	479.205267	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1456697"	173.058567	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"247122"	654.327226	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1222380"	348.180526	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1206264"	174.593901	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"198039"	657.26456	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"638692"	963.41126	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1143292"	351.11786	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"184760"	329.135918	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"622864"	482.209268	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1128558"	176.062568	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1405518"	117.710804	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1442009"	353.159446	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"224049"	334.16894	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1511018"	367.21149	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"412162"	337.122888	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"774990"	490.196238	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1667310"	184.049538	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"253468"	676.309168	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1226051"	370.162468	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1716157"	370.185993	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1181510"	125.038118	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1656871"	375.141388	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"169202"	689.21244	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"605480"	995.35914	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1086100"	383.06574	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"147902"	345.109858	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"591837"	498.183208	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1075255"	192.036508	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1107371"	385.080292	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1344853"	385.167907	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1011197"	389.207076	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1530415"	390.200708	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"1000142"	195.107176	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1587841"	391.115328	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1414837"	421.146838	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1157162"	215.620451	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1701610"	438.173385	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1635802"	443.12878	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1583485"	459.10272	"C09587"	"Viscidulin B"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"803281"	295.1208	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M"	0
"980825"	276.10241	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-H2O-H"	-19.01839
"66879"	195.739924	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M-3H"	-3.021828
"511910"	294.113524	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M-3H"	-3.021828
"883148"	97.366324	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-3H"	-3.021828
"2816"	294.113524	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M-2H"	-2.014552
"444568"	441.673924	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M-2H"	-2.014552
"818722"	146.553124	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-2H"	-2.014552
"80175"	589.234324	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M-H"	-1.007276
"519734"	884.355124	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M-H"	-1.007276
"897537"	294.113524	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-H"	-1.007276
"51185"	606.260871	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M-2H+NH4"	16.019271
"490746"	901.381671	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M-2H+NH4"	16.019271
"868183"	311.140071	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-2H+NH4"	16.019271
"32804"	611.216266	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M-2H+Na"	20.974666
"471551"	906.337066	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M-2H+Na"	20.974666
"851256"	316.095466	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-2H+Na"	20.974666
"1620790"	316.095466	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Na-2H"	20.974666
"95130"	312.101863	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M-H+Cl"	33.962126
"534519"	459.662263	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M-H+Cl"	33.962126
"930401"	164.541463	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-H+Cl"	33.962126
"267205"	625.211002	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+Cl"	34.969402
"665754"	920.331802	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+Cl"	34.969402
"1278159"	330.090202	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Cl"	34.969402
"22903"	627.190206	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M-2H+K"	36.948606
"458451"	922.311006	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M-2H+K"	36.948606
"836618"	332.069406	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-2H+K"	36.948606
"1563753"	332.069406	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+K-2H"	36.948606
"949448"	340.118994	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-H+HCOOH"	44.998194
"365473"	635.239801	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+HCOOH-H"	44.998201
"350450"	649.255451	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+Hac-H"	59.013851
"1494909"	354.134651	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Hac-H"	59.013851
"960991"	362.100951	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-H+NaCOOH"	66.980151
"113909"	330.090202	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+2Cl"	69.938804
"549959"	477.650602	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+2Cl"	69.938804
"1021616"	182.529802	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2Cl"	69.938804
"1245864"	374.039685	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Br"	78.918885
"1307945"	376.095672	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Cl+HCOOH"	80.974872
"1329094"	398.077629	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Cl+NaCOOH"	102.956829
"921244"	408.106386	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M-H+CF3COOH"	112.985586
"1292486"	444.083064	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Cl+CF3COOH"	148.962264
"1375020"	260.108124	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H-2H2O"	-35.012676
"1389235"	278.1181	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H-H2O"	-17.0027
"286733"	591.248876	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+H"	1.007276
"680249"	886.369676	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+H"	1.007276
"1351978"	296.128076	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H"	1.007276
"125770"	296.128076	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+2H"	2.014552
"566236"	443.688476	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+2H"	2.014552
"1037589"	148.567676	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2H"	2.014552
"204413"	197.754476	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+3H"	3.021828
"644569"	296.128076	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+3H"	3.021828
"1163065"	99.380876	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+3H"	3.021828
"424882"	608.275423	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+NH4"	18.033823
"785917"	903.396223	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+NH4"	18.033823
"1691696"	313.154623	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+NH4"	18.033823
"343621"	304.6413495	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+H+NH4"	19.041099
"732396"	452.2017495	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+H+NH4"	19.041099
"1485119"	157.0809495	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H+NH4"	19.041099
"404902"	613.230818	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+Na"	22.989218
"768811"	908.351618	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+Na"	22.989218
"1613995"	318.110018	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Na"	22.989218
"326219"	307.119047	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+H+Na"	23.996494
"716454"	454.679447	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+H+Na"	23.996494
"1471366"	159.558647	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H+Na"	23.996494
"1061335"	106.70819	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2H+Na"	25.00377
"1260826"	328.154286	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+CH3OH+H"	33.033486
"382683"	629.204758	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+K"	38.963158
"751335"	924.325558	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+K"	38.963158
"1552295"	334.083958	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+K"	38.963158
"310199"	315.106017	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+H+K"	39.970434
"705173"	462.666417	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+H+K"	39.970434
"1454620"	167.545617	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H+K"	39.970434
"247960"	632.275426	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+ACN+H"	42.033826
"1222126"	337.154626	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+ACN+H"	42.033826
"1205281"	169.080951	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+ACN+2H"	43.041102
"197785"	635.21276	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+2Na-H"	44.97116
"641354"	930.33356	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+2Na-H"	44.97116
"1143767"	340.09196	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2Na-H"	44.97116
"184871"	318.110018	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+2Na"	45.978436
"622974"	465.670418	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+2Na"	45.978436
"1125388"	170.549618	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2Na"	45.978436
"1407086"	114.035504	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H+2Na"	46.985712
"1438840"	342.133546	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H+HCOOH"	47.012746
"227440"	323.14304	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+3H2O+2H"	56.04448
"1510399"	356.18559	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+IsoProp+H"	61.06479
"411907"	326.096988	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+Na+K"	61.952376
"770105"	473.657388	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+Na+K"	61.952376
"1668150"	178.536588	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Na+K"	61.952376
"254671"	654.257368	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+ACN+Na"	64.015768
"1226647"	359.136568	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+ACN+Na"	64.015768
"1717360"	359.160093	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+NH4+HCOOH"	64.039293
"1180527"	121.362818	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+3Na"	68.967654
"1651511"	364.115488	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Na+HCOOH"	68.994688
"161655"	667.16064	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+2K-H"	76.91904
"602310"	962.28144	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+2K-H"	76.91904
"1088278"	372.03984	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2K-H"	76.91904
"145459"	334.083958	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"2M+2K"	77.926316
"590854"	481.644358	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"3M+2K"	77.926316
"1075365"	186.523558	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2K"	77.926316
"1106386"	374.054392	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2K+H"	78.933592
"1340219"	374.142007	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+DMSO+H"	79.021207
"1010213"	378.181176	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2ACN+H"	83.060376
"1527245"	379.174808	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+IsoProp+Na+H"	84.054008
"995878"	189.594226	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+2ACN+2H"	84.067652
"1587950"	380.089428	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+K+HCOOH"	84.968628
"1415071"	410.120938	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+H+CF3COOH"	115.000138
"1157272"	210.107501	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+3ACN+2H"	125.094202
"1701356"	427.147485	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+NH4+CF3COOH"	132.026685
"1635183"	432.10288	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+Na+CF3COOH"	136.98208
"1583595"	448.07682	"C09588"	"Mecambrine"	"C18H17NO3"	"295.1208"	"M+K+CF3COOH"	152.95602
"801934"	295.1208	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M"	0
"976560"	276.10241	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-H2O-H"	-19.01839
"65895"	195.739924	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M-3H"	-3.021828
"507645"	294.113524	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M-3H"	-3.021828
"882165"	97.366324	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-3H"	-3.021828
"1468"	294.113524	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M-2H"	-2.014552
"443585"	441.673924	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M-2H"	-2.014552
"819196"	146.553124	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-2H"	-2.014552
"79192"	589.234324	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M-H"	-1.007276
"519844"	884.355124	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M-H"	-1.007276
"895655"	294.113524	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-H"	-1.007276
"49837"	606.260871	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M-2H+NH4"	16.019271
"489397"	901.381671	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M-2H+NH4"	16.019271
"867198"	311.140071	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-2H+NH4"	16.019271
"32914"	611.216266	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M-2H+Na"	20.974666
"471576"	906.337066	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M-2H+Na"	20.974666
"848811"	316.095466	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-2H+Na"	20.974666
"1620900"	316.095466	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Na-2H"	20.974666
"94630"	312.101863	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M-H+Cl"	33.962126
"534263"	459.662263	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M-H+Cl"	33.962126
"927708"	164.541463	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-H+Cl"	33.962126
"267122"	625.211002	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+Cl"	34.969402
"663676"	920.331802	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+Cl"	34.969402
"1275351"	330.090202	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Cl"	34.969402
"18271"	627.190206	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M-2H+K"	36.948606
"455761"	922.311006	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M-2H+K"	36.948606
"832790"	332.069406	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-2H+K"	36.948606
"1557298"	332.069406	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+K-2H"	36.948606
"945544"	340.118994	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-H+HCOOH"	44.998194
"363759"	635.239801	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+HCOOH-H"	44.998201
"347643"	649.255451	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+Hac-H"	59.013851
"1492753"	354.134651	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Hac-H"	59.013851
"960004"	362.100951	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-H+NaCOOH"	66.980151
"110365"	330.090202	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+2Cl"	69.938804
"550008"	477.650602	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+2Cl"	69.938804
"1021366"	182.529802	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2Cl"	69.938804
"1245970"	374.039685	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Br"	78.918885
"1304194"	376.095672	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Cl+HCOOH"	80.974872
"1328111"	398.077629	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Cl+NaCOOH"	102.956829
"921354"	408.106386	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M-H+CF3COOH"	112.985586
"1292596"	444.083064	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Cl+CF3COOH"	148.962264
"1376223"	260.108124	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H-2H2O"	-35.012676
"1389345"	278.1181	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H-H2O"	-17.0027
"287207"	591.248876	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+H"	1.007276
"680359"	886.369676	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+H"	1.007276
"1351643"	296.128076	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H"	1.007276
"126429"	296.128076	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+2H"	2.014552
"566103"	443.688476	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+2H"	2.014552
"1037454"	148.567676	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2H"	2.014552
"204550"	197.754476	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+3H"	3.021828
"645040"	296.128076	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+3H"	3.021828
"1163290"	99.380876	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+3H"	3.021828
"424622"	608.275423	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+NH4"	18.033823
"787812"	903.396223	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+NH4"	18.033823
"1691806"	313.154623	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+NH4"	18.033823
"343731"	304.6413495	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+H+NH4"	19.041099
"734692"	452.2017495	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+H+NH4"	19.041099
"1485229"	157.0809495	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H+NH4"	19.041099
"403917"	613.230818	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+Na"	22.989218
"768191"	908.351618	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+Na"	22.989218
"1609730"	318.110018	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Na"	22.989218
"324140"	307.119047	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+H+Na"	23.996494
"712189"	454.679447	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+H+Na"	23.996494
"1466007"	159.558647	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H+Na"	23.996494
"1059254"	106.70819	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2H+Na"	25.00377
"1260931"	328.154286	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+CH3OH+H"	33.033486
"379877"	629.204758	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+K"	38.963158
"751081"	924.325558	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+K"	38.963158
"1545844"	334.083958	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+K"	38.963158
"309579"	315.106017	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+H+K"	39.970434
"695805"	462.666417	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+H+K"	39.970434
"1446710"	167.545617	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H+K"	39.970434
"242236"	632.275426	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+ACN+H"	42.033826
"1219318"	337.154626	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+ACN+H"	42.033826
"1198827"	169.080951	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+ACN+2H"	43.041102
"192424"	635.21276	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+2Na-H"	44.97116
"635632"	930.33356	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+2Na-H"	44.97116
"1138044"	340.09196	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2Na-H"	44.97116
"179513"	318.110018	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+2Na"	45.978436
"619803"	465.670418	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+2Na"	45.978436
"1116260"	170.549618	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2Na"	45.978436
"1400270"	114.035504	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H+2Na"	46.985712
"1430194"	342.133546	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H+HCOOH"	47.012746
"220375"	323.14304	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+3H2O+2H"	56.04448
"1508633"	356.18559	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+IsoProp+H"	61.06479
"409463"	326.096988	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+Na+K"	61.952376
"770204"	473.657388	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+Na+K"	61.952376
"1669353"	178.536588	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Na+K"	61.952376
"251859"	654.257368	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+ACN+Na"	64.015768
"1225701"	359.136568	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+ACN+Na"	64.015768
"1715282"	359.160093	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+NH4+HCOOH"	64.039293
"1180637"	121.362818	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+3Na"	68.967654
"1651258"	364.115488	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Na+HCOOH"	68.994688
"161765"	667.16064	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+2K-H"	76.91904
"602420"	962.28144	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+2K-H"	76.91904
"1087296"	372.03984	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2K-H"	76.91904
"145205"	334.083958	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"2M+2K"	77.926316
"593150"	481.644358	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"3M+2K"	77.926316
"1076568"	186.523558	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2K"	77.926316
"1103216"	374.054392	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2K+H"	78.933592
"1337536"	374.142007	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+DMSO+H"	79.021207
"1008136"	378.181176	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2ACN+H"	83.060376
"1524598"	379.174808	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+IsoProp+Na+H"	84.054008
"991615"	189.594226	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+2ACN+2H"	84.067652
"1587695"	380.089428	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+K+HCOOH"	84.968628
"1414216"	410.120938	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+H+CF3COOH"	115.000138
"1157382"	210.107501	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+3ACN+2H"	125.094202
"1701466"	427.147485	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+NH4+CF3COOH"	132.026685
"1635293"	432.10288	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+Na+CF3COOH"	136.98208
"1583705"	448.07682	"C09589"	"()-Mecambroline"	"C18H17NO3"	"295.1208"	"M+K+CF3COOH"	152.95602
"803136"	622.3043	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M"	0
"977763"	603.28591	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-H2O-H"	-19.01839
"66005"	413.862257333333	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M-3H"	-3.021828
"508848"	621.297024	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M-3H"	-3.021828
"884462"	206.427490666667	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-3H"	-3.021828
"3037"	621.297024	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M-2H"	-2.014552
"443695"	932.449174	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M-2H"	-2.014552
"819306"	310.144874	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-2H"	-2.014552
"79302"	1243.601324	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M-H"	-1.007276
"519954"	1865.905624	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M-H"	-1.007276
"896084"	621.297024	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-H"	-1.007276
"53227"	1260.627871	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M-2H+NH4"	16.019271
"489507"	1882.932171	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M-2H+NH4"	16.019271
"868402"	638.323571	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-2H+NH4"	16.019271
"34117"	1265.583266	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M-2H+Na"	20.974666
"473675"	1887.887566	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M-2H+Na"	20.974666
"852570"	643.278966	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-2H+Na"	20.974666
"1619915"	643.278966	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Na-2H"	20.974666
"94739"	639.285363	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M-H+Cl"	33.962126
"534536"	950.437513	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M-H+Cl"	33.962126
"927246"	328.133213	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-H+Cl"	33.962126
"267377"	1279.578002	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+Cl"	34.969402
"662326"	1901.882302	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+Cl"	34.969402
"1273189"	657.273702	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Cl"	34.969402
"16066"	1281.557206	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M-2H+K"	36.948606
"455853"	1903.861506	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M-2H+K"	36.948606
"833024"	659.252906	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-2H+K"	36.948606
"1557407"	659.252906	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+K-2H"	36.948606
"946748"	667.302494	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-H+HCOOH"	44.998194
"362411"	1289.606801	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+HCOOH-H"	44.998201
"346334"	1303.622451	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+Hac-H"	59.013851
"1495489"	681.318151	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Hac-H"	59.013851
"960478"	689.284451	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-H+NaCOOH"	66.980151
"113395"	657.273702	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+2Cl"	69.938804
"552226"	968.425852	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+2Cl"	69.938804
"1021395"	346.121552	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2Cl"	69.938804
"1241824"	701.223185	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Br"	78.918885
"1304550"	703.279172	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Cl+HCOOH"	80.974872
"1327128"	725.261129	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Cl+NaCOOH"	102.956829
"921464"	735.289886	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M-H+CF3COOH"	112.985586
"1292706"	771.266564	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Cl+CF3COOH"	148.962264
"1375240"	587.291624	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H-2H2O"	-35.012676
"1389455"	605.3016	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H-H2O"	-17.0027
"287681"	1245.615876	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+H"	1.007276
"680469"	1867.920176	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+H"	1.007276
"1355721"	623.311576	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H"	1.007276
"126132"	623.311576	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+2H"	2.014552
"565721"	934.463726	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+2H"	2.014552
"1037360"	312.159426	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2H"	2.014552
"204362"	415.876809333333	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+3H"	3.021828
"644544"	623.311576	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+3H"	3.021828
"1163641"	208.442042666667	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+3H"	3.021828
"424849"	1262.642423	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+NH4"	18.033823
"787556"	1884.946723	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+NH4"	18.033823
"1695195"	640.338123	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+NH4"	18.033823
"342382"	631.8248495	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+H+NH4"	19.041099
"734802"	942.9769995	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+H+NH4"	19.041099
"1485339"	320.6726995	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H+NH4"	19.041099
"402930"	1267.597818	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+Na"	22.989218
"765020"	1889.902118	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+Na"	22.989218
"1609840"	645.293518	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Na"	22.989218
"319876"	634.302547	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+H+Na"	23.996494
"712299"	945.454697	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+H+Na"	23.996494
"1465024"	323.150397	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H+Na"	23.996494
"1059364"	215.769356666667	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2H+Na"	25.00377
"1265415"	655.337786	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+CH3OH+H"	33.033486
"383995"	1283.571758	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+K"	38.963158
"743900"	1905.876058	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+K"	38.963158
"1547045"	661.267458	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+K"	38.963158
"307503"	642.289517	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+H+K"	39.970434
"693728"	953.441667	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+H+K"	39.970434
"1445882"	331.137367	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H+K"	39.970434
"243439"	1286.642426	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+ACN+H"	42.033826
"1218334"	664.338126	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+ACN+H"	42.033826
"1199301"	332.672701	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+ACN+2H"	43.041102
"192535"	1289.57976	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+2Na-H"	44.97116
"632098"	1911.88406	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+2Na-H"	44.97116
"1136331"	667.27546	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2Na-H"	44.97116
"175248"	645.293518	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+2Na"	45.978436
"617725"	956.445668	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+2Na"	45.978436
"1119045"	334.141368	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2Na"	45.978436
"1402204"	223.096670666667	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H+2Na"	46.985712
"1432860"	669.317046	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H+HCOOH"	47.012746
"222555"	650.32654	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+3H2O+2H"	56.04448
"1509032"	683.36909	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+H"	61.06479
"411032"	653.280488	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+Na+K"	61.952376
"770081"	964.432638	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+Na+K"	61.952376
"1671649"	342.128338	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Na+K"	61.952376
"258165"	1308.624368	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+ACN+Na"	64.015768
"1230874"	686.320068	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+ACN+Na"	64.015768
"1715755"	686.343593	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+NH4+HCOOH"	64.039293
"1184026"	230.423984666667	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+3Na"	68.967654
"1651367"	691.298988	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Na+HCOOH"	68.994688
"161145"	1321.52764	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+2K-H"	76.91904
"603623"	1943.83194	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+2K-H"	76.91904
"1094696"	699.22334	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2K-H"	76.91904
"145316"	661.267458	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"2M+2K"	77.926316
"588886"	972.419608	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"3M+2K"	77.926316
"1073398"	350.115308	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2K"	77.926316
"1102232"	701.237892	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2K+H"	78.933592
"1340074"	701.325507	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+DMSO+H"	79.021207
"1005808"	705.364676	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2ACN+H"	83.060376
"1525640"	706.358308	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+Na+H"	84.054008
"995005"	353.185976	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+2ACN+2H"	84.067652
"1592790"	707.272928	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+K+HCOOH"	84.968628
"1414394"	737.304438	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+H+CF3COOH"	115.000138
"1157492"	373.699251	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+3ACN+2H"	125.094202
"1701576"	754.330985	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+NH4+CF3COOH"	132.026685
"1634426"	759.28638	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+Na+CF3COOH"	136.98208
"1580535"	775.26032	"C09590"	"Thalmidine;()-O-Methylthalicberine"	"C38H42N2O6"	"622.3043"	"M+K+CF3COOH"	152.95602
"803247"	445.1737	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M"	0
"976780"	426.15531	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-H2O-H"	-19.01839
"67208"	295.775190666667	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M-3H"	-3.021828
"507869"	444.166424	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M-3H"	-3.021828
"883482"	147.383957333333	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-3H"	-3.021828
"7526"	444.166424	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M-2H"	-2.014552
"443806"	666.753274	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M-2H"	-2.014552
"821608"	221.579574	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-2H"	-2.014552
"90348"	889.340124	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M-H"	-1.007276
"527722"	1334.513824	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M-H"	-1.007276
"909533"	444.166424	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-H"	-1.007276
"58805"	906.366671	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M-2H+NH4"	16.019271
"497272"	1351.540371	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M-2H+NH4"	16.019271
"870700"	461.192971	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-2H+NH4"	16.019271
"35321"	911.322066	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M-2H+Na"	20.974666
"481441"	1356.495766	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M-2H+Na"	20.974666
"854868"	466.148366	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-2H+Na"	20.974666
"1623309"	466.148366	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Na-2H"	20.974666
"98742"	462.154763	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M-H+Cl"	33.962126
"536117"	684.741613	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M-H+Cl"	33.962126
"930728"	239.567913	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-H+Cl"	33.962126
"267941"	925.316802	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+Cl"	34.969402
"661708"	1370.490502	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+Cl"	34.969402
"1274111"	480.143102	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Cl"	34.969402
"18859"	927.296006	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M-2H+K"	36.948606
"456708"	1372.469706	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M-2H+K"	36.948606
"833417"	482.122306	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-2H+K"	36.948606
"1557152"	482.122306	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+K-2H"	36.948606
"944306"	490.171894	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-H+HCOOH"	44.998194
"362276"	935.345601	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+HCOOH-H"	44.998201
"348229"	949.361251	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+Hac-H"	59.013851
"1494876"	504.187551	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Hac-H"	59.013851
"961687"	512.153851	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-H+NaCOOH"	66.980151
"112783"	480.143102	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+2Cl"	69.938804
"554532"	702.729952	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+2Cl"	69.938804
"1024424"	257.556252	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2Cl"	69.938804
"1242174"	524.092585	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Br"	78.918885
"1304991"	526.148572	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Cl+HCOOH"	80.974872
"1322497"	548.130529	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Cl+NaCOOH"	102.956829
"918294"	558.159286	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M-H+CF3COOH"	112.985586
"1296099"	594.135964	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Cl+CF3COOH"	148.962264
"1373165"	410.161024	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H-2H2O"	-35.012676
"1388474"	428.171	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H-H2O"	-17.0027
"292534"	891.354676	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+H"	1.007276
"683860"	1336.528376	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+H"	1.007276
"1353283"	446.180976	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H"	1.007276
"127628"	446.180976	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+2H"	2.014552
"565857"	668.767826	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+2H"	2.014552
"1040361"	223.594126	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2H"	2.014552
"204532"	297.789742666667	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+3H"	3.021828
"644453"	446.180976	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+3H"	3.021828
"1165951"	149.398509333333	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+3H"	3.021828
"424280"	908.381223	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+NH4"	18.033823
"790219"	1353.554923	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+NH4"	18.033823
"1693846"	463.207523	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+NH4"	18.033823
"343586"	454.6942495	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+H+NH4"	19.041099
"738153"	677.2810995	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+H+NH4"	19.041099
"1490920"	232.1073995	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H+NH4"	19.041099
"405229"	913.336618	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+Na"	22.989218
"764041"	1358.510318	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+Na"	22.989218
"1611044"	468.162918	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Na"	22.989218
"323269"	457.171947	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+H+Na"	23.996494
"714599"	679.758797	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+H+Na"	23.996494
"1471700"	234.585097	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H+Na"	23.996494
"1061666"	156.725823333333	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2H+Na"	25.00377
"1268813"	478.207186	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+CH3OH+H"	33.033486
"388481"	929.310558	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+K"	38.963158
"744010"	1374.484258	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+K"	38.963158
"1546064"	484.136858	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+K"	38.963158
"308706"	465.158917	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+H+K"	39.970434
"692136"	687.745767	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+H+K"	39.970434
"1446806"	242.572067	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H+K"	39.970434
"236867"	932.381226	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+ACN+H"	42.033826
"1211520"	487.207526	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+ACN+H"	42.033826
"1196496"	244.107401	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+ACN+2H"	43.041102
"188914"	935.31856	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+2Na-H"	44.97116
"629776"	1380.49226	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+2Na-H"	44.97116
"1136805"	490.14486	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2Na-H"	44.97116
"176450"	468.162918	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+2Na"	45.978436
"619658"	690.749768	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+2Na"	45.978436
"1118424"	245.576068	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2Na"	45.978436
"1403042"	164.053137333333	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H+2Na"	46.985712
"1436980"	492.186446	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H+HCOOH"	47.012746
"224489"	473.19594	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+3H2O+2H"	56.04448
"1514737"	506.23849	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+IsoProp+H"	61.06479
"414425"	476.149888	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+Na+K"	61.952376
"770428"	698.736738	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+Na+K"	61.952376
"1669572"	253.563038	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Na+K"	61.952376
"256089"	954.363168	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+ACN+Na"	64.015768
"1231348"	509.189468	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+ACN+Na"	64.015768
"1722065"	509.212993	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+NH4+HCOOH"	64.039293
"1185233"	171.380451333333	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+3Na"	68.967654
"1658410"	514.168388	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Na+HCOOH"	68.994688
"164176"	967.26644	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+2K-H"	76.91904
"602640"	1412.44014	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+2K-H"	76.91904
"1087515"	522.09274	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2K-H"	76.91904
"143971"	484.136858	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"2M+2K"	77.926316
"583895"	706.723708	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"3M+2K"	77.926316
"1072418"	261.550008	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2K"	77.926316
"1106720"	524.107292	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2K+H"	78.933592
"1347477"	524.194907	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+DMSO+H"	79.021207
"1017099"	528.234076	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2ACN+H"	83.060376
"1536318"	529.227708	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+IsoProp+Na+H"	84.054008
"997300"	264.620676	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+2ACN+2H"	84.067652
"1592898"	530.142328	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+K+HCOOH"	84.968628
"1415645"	560.173838	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+H+CF3COOH"	115.000138
"1149214"	285.133951	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+3ACN+2H"	125.094202
"1697791"	577.200385	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+NH4+CF3COOH"	132.026685
"1634538"	582.15578	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+Na+CF3COOH"	136.98208
"1580645"	598.12972	"C09591"	"Narceine"	"C23H27NO8"	"445.1737"	"M+K+CF3COOH"	152.95602
"802263"	413.1475	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M"	0
"977984"	394.12911	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-H2O-H"	-19.01839
"67319"	274.424390666667	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M-3H"	-3.021828
"510165"	412.140224	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M-3H"	-3.021828
"883592"	136.708557333333	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-3H"	-3.021828
"9822"	412.140224	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M-2H"	-2.014552
"446102"	618.713974	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M-2H"	-2.014552
"821716"	205.566474	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-2H"	-2.014552
"82803"	825.287724	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M-H"	-1.007276
"528926"	1238.435224	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M-H"	-1.007276
"910006"	412.140224	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-H"	-1.007276
"60008"	842.314271	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M-2H+NH4"	16.019271
"500298"	1255.461771	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M-2H+NH4"	16.019271
"872997"	429.166771	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-2H+NH4"	16.019271
"36524"	847.269666	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M-2H+Na"	20.974666
"482645"	1260.417166	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M-2H+Na"	20.974666
"858258"	434.122166	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-2H+Na"	20.974666
"1622325"	434.122166	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Na-2H"	20.974666
"97758"	430.128563	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M-H+Cl"	33.962126
"534769"	636.702313	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M-H+Cl"	33.962126
"931566"	223.554813	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-H+Cl"	33.962126
"268663"	861.264402	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+Cl"	34.969402
"662910"	1274.411902	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+Cl"	34.969402
"1274220"	448.116902	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Cl"	34.969402
"18969"	863.243606	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M-2H+K"	36.948606
"456697"	1276.391106	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M-2H+K"	36.948606
"833528"	450.096106	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-2H+K"	36.948606
"1556169"	450.096106	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+K-2H"	36.948606
"943323"	458.145694	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-H+HCOOH"	44.998194
"361538"	871.293201	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+HCOOH-H"	44.998201
"347248"	885.308851	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+Hac-H"	59.013851
"1496446"	472.161351	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Hac-H"	59.013851
"959248"	480.127651	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-H+NaCOOH"	66.980151
"111437"	448.116902	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+2Cl"	69.938804
"552457"	654.690652	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+2Cl"	69.938804
"1023441"	241.543152	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2Cl"	69.938804
"1241548"	492.066385	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Br"	78.918885
"1305586"	494.122372	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Cl+HCOOH"	80.974872
"1320529"	516.104329	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Cl+NaCOOH"	102.956829
"911592"	526.133086	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M-H+CF3COOH"	112.985586
"1292925"	562.109764	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Cl+CF3COOH"	148.962264
"1374367"	378.134824	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H-2H2O"	-35.012676
"1385301"	396.1448	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H-H2O"	-17.0027
"287176"	827.302276	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+H"	1.007276
"678503"	1240.449776	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+H"	1.007276
"1351568"	414.154776	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H"	1.007276
"125794"	414.154776	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+2H"	2.014552
"565825"	620.728526	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+2H"	2.014552
"1037227"	207.581026	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2H"	2.014552
"204472"	276.438942666667	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+3H"	3.021828
"645367"	414.154776	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+3H"	3.021828
"1163004"	138.723109333333	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+3H"	3.021828
"424578"	844.328823	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+NH4"	18.033823
"786317"	1257.476323	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+NH4"	18.033823
"1686665"	431.181323	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+NH4"	18.033823
"343329"	422.6680495	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+H+NH4"	19.041099
"737452"	629.2417995	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+H+NH4"	19.041099
"1488841"	216.0942995	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H+NH4"	19.041099
"406799"	849.284218	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+Na"	22.989218
"764151"	1262.431718	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+Na"	22.989218
"1611153"	436.136718	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Na"	22.989218
"324472"	425.145747	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+H+Na"	23.996494
"719081"	631.719497	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+H+Na"	23.996494
"1469623"	218.571997	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H+Na"	23.996494
"1061776"	146.050423333333	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2H+Na"	25.00377
"1267829"	446.180986	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+CH3OH+H"	33.033486
"388591"	865.258158	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+K"	38.963158
"744120"	1278.405658	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+K"	38.963158
"1547267"	452.110658	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+K"	38.963158
"308816"	433.132717	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+H+K"	39.970434
"692125"	639.706467	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+H+K"	39.970434
"1446674"	226.558967	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H+K"	39.970434
"238559"	868.328826	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+ACN+H"	42.033826
"1212723"	455.181326	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+ACN+H"	42.033826
"1196606"	228.094301	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+ACN+2H"	43.041102
"188862"	871.26616	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+2Na-H"	44.97116
"629886"	1284.41366	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+2Na-H"	44.97116
"1136187"	458.11866	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2Na-H"	44.97116
"181300"	436.136718	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+2Na"	45.978436
"622319"	642.710468	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+2Na"	45.978436
"1119627"	229.562968	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2Na"	45.978436
"1409350"	153.377737333333	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H+2Na"	46.985712
"1438184"	460.160246	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H+HCOOH"	47.012746
"224963"	441.16974	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+3H2O+2H"	56.04448
"1514847"	474.21229	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+IsoProp+H"	61.06479
"414535"	444.123688	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+Na+K"	61.952376
"770335"	650.697438	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+Na+K"	61.952376
"1665705"	237.549938	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Na+K"	61.952376
"254740"	890.310768	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+ACN+Na"	64.015768
"1231094"	477.163268	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+ACN+Na"	64.015768
"1719988"	477.186793	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+NH4+HCOOH"	64.039293
"1186435"	160.705051333333	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+3Na"	68.967654
"1655239"	482.142188	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Na+HCOOH"	68.994688
"164285"	903.21404	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+2K-H"	76.91904
"602019"	1316.36154	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+2K-H"	76.91904
"1086166"	490.06654	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2K-H"	76.91904
"144078"	452.110658	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"2M+2K"	77.926316
"585097"	658.684408	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"3M+2K"	77.926316
"1070582"	245.536908	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2K"	77.926316
"1106830"	492.081092	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2K+H"	78.933592
"1347587"	492.168707	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+DMSO+H"	79.021207
"1018302"	496.207876	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2ACN+H"	83.060376
"1535335"	497.201508	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+IsoProp+Na+H"	84.054008
"997410"	248.607576	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+2ACN+2H"	84.067652
"1593007"	498.116128	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+K+HCOOH"	84.968628
"1416120"	528.147638	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+H+CF3COOH"	115.000138
"1149689"	269.120851	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+3ACN+2H"	125.094202
"1697415"	545.174185	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+NH4+CF3COOH"	132.026685
"1634528"	550.12958	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+Na+CF3COOH"	136.98208
"1580755"	566.10352	"C09592"	"alpha-Narcotine;Noscapine"	"C22H23NO7"	"413.1475"	"M+K+CF3COOH"	152.95602
"802374"	399.1318	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M"	0
"981374"	380.11341	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-H2O-H"	-19.01839
"67429"	265.080590666667	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M-3H"	-3.021828
"509182"	398.124524	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M-3H"	-3.021828
"884796"	132.036657333333	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-3H"	-3.021828
"7746"	398.124524	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M-2H"	-2.014552
"446212"	597.690424	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M-2H"	-2.014552
"821827"	198.558624	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-2H"	-2.014552
"88380"	797.256324	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M-H"	-1.007276
"530129"	1196.388124	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M-H"	-1.007276
"909874"	398.124524	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-H"	-1.007276
"60970"	814.282871	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M-2H+NH4"	16.019271
"499680"	1213.414671	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M-2H+NH4"	16.019271
"873106"	415.151071	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-2H+NH4"	16.019271
"33354"	819.238266	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M-2H+Na"	20.974666
"485917"	1218.370066	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M-2H+Na"	20.974666
"859462"	420.106466	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-2H+Na"	20.974666
"1622436"	420.106466	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Na-2H"	20.974666
"96046"	416.112863	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M-H+Cl"	33.962126
"534879"	615.678763	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M-H+Cl"	33.962126
"930219"	216.546963	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-H+Cl"	33.962126
"269868"	833.233002	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+Cl"	34.969402
"662290"	1232.364802	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+Cl"	34.969402
"1274694"	434.101202	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Cl"	34.969402
"17986"	835.212206	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M-2H+K"	36.948606
"456809"	1234.344006	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M-2H+K"	36.948606
"833397"	436.080406	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-2H+K"	36.948606
"1556640"	436.080406	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+K-2H"	36.948606
"943435"	444.129994	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-H+HCOOH"	44.998194
"361770"	843.261801	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+HCOOH-H"	44.998201
"346994"	857.277451	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+Hac-H"	59.013851
"1496556"	458.145651	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Hac-H"	59.013851
"960452"	466.111951	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-H+NaCOOH"	66.980151
"111548"	434.101202	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+2Cl"	69.938804
"552567"	633.667102	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+2Cl"	69.938804
"1022824"	234.535302	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2Cl"	69.938804
"1242760"	478.050685	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Br"	78.918885
"1309952"	480.106672	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Cl+HCOOH"	80.974872
"1320761"	502.088629	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Cl+NaCOOH"	102.956829
"911443"	512.117386	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M-H+CF3COOH"	112.985586
"1288612"	548.094064	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Cl+CF3COOH"	148.962264
"1368643"	364.119124	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H-2H2O"	-35.012676
"1384684"	382.1291	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H-H2O"	-17.0027
"285099"	799.270876	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+H"	1.007276
"680800"	1198.402676	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+H"	1.007276
"1354959"	400.139076	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H"	1.007276
"126098"	400.139076	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+2H"	2.014552
"565896"	599.704976	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+2H"	2.014552
"1037456"	200.573176	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2H"	2.014552
"204581"	267.095142666667	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+3H"	3.021828
"645356"	400.139076	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+3H"	3.021828
"1163240"	134.051209333333	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+3H"	3.021828
"424691"	816.297423	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+NH4"	18.033823
"786185"	1215.429223	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+NH4"	18.033823
"1687868"	417.165623	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+NH4"	18.033823
"342711"	408.6523495	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+H+NH4"	19.041099
"737078"	608.2182495	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+H+NH4"	19.041099
"1490044"	209.0864495	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H+NH4"	19.041099
"403262"	821.252818	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+Na"	22.989218
"764258"	1220.384618	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+Na"	22.989218
"1611262"	422.121018	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Na"	22.989218
"327861"	411.130047	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+H+Na"	23.996494
"721377"	610.695947	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+H+Na"	23.996494
"1475196"	211.564147	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H+Na"	23.996494
"1061884"	141.378523333333	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2H+Na"	25.00377
"1269032"	432.165286	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+CH3OH+H"	33.033486
"388702"	837.226758	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+K"	38.963158
"748602"	1236.358558	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+K"	38.963158
"1548469"	438.094958	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+K"	38.963158
"307830"	419.117017	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+H+K"	39.970434
"692598"	618.682917	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+H+K"	39.970434
"1446418"	219.551117	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H+K"	39.970434
"238669"	840.297426	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+ACN+H"	42.033826
"1212833"	441.165626	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+ACN+H"	42.033826
"1196716"	221.086451	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+ACN+2H"	43.041102
"188976"	843.23476	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+2Na-H"	44.97116
"629387"	1242.36656	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+2Na-H"	44.97116
"1136296"	444.10296	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2Na-H"	44.97116
"180317"	422.121018	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+2Na"	45.978436
"622428"	621.686918	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+2Na"	45.978436
"1121194"	222.555118	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2Na"	45.978436
"1408365"	148.705837333333	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H+2Na"	46.985712
"1435377"	446.144546	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H+HCOOH"	47.012746
"222521"	427.15404	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+3H2O+2H"	56.04448
"1513498"	460.19659	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+IsoProp+H"	61.06479
"410269"	430.107988	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+Na+K"	61.952376
"770244"	629.673888	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+Na+K"	61.952376
"1665805"	230.542088	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Na+K"	61.952376
"253029"	862.279368	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+ACN+Na"	64.015768
"1230111"	463.147568	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+ACN+Na"	64.015768
"1719004"	463.171093	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+NH4+HCOOH"	64.039293
"1185452"	156.033151333333	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+3Na"	68.967654
"1653162"	468.126488	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Na+HCOOH"	68.994688
"164395"	875.18264	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+2K-H"	76.91904
"602131"	1274.31444	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+2K-H"	76.91904
"1087372"	476.05084	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2K-H"	76.91904
"142730"	438.094958	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"2M+2K"	77.926316
"587031"	637.660858	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"3M+2K"	77.926316
"1070085"	238.529058	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2K"	77.926316
"1108034"	478.065392	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2K+H"	78.933592
"1344418"	478.153007	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+DMSO+H"	79.021207
"1012946"	482.192176	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2ACN+H"	83.060376
"1534352"	483.185808	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+IsoProp+Na+H"	84.054008
"999707"	241.599726	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+2ACN+2H"	84.067652
"1596397"	484.100428	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+K+HCOOH"	84.968628
"1415499"	514.131938	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+H+CF3COOH"	115.000138
"1148702"	262.113001	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+3ACN+2H"	125.094202
"1698983"	531.158485	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+NH4+CF3COOH"	132.026685
"1635000"	536.11388	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+Na+CF3COOH"	136.98208
"1580865"	552.08782	"C09593"	"Narcotoline"	"C21H21NO7"	"399.1318"	"M+K+CF3COOH"	152.95602
"801751"	299.1521	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M"	0
"981484"	280.13371	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-H2O-H"	-19.01839
"67539"	198.427457333333	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M-3H"	-3.021828
"511479"	298.144824	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M-3H"	-3.021828
"889280"	98.7100906666667	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-3H"	-3.021828
"8949"	298.144824	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M-2H"	-2.014552
"448509"	447.720874	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M-2H"	-2.014552
"823031"	148.568774	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-2H"	-2.014552
"87397"	597.296924	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M-H"	-1.007276
"530240"	896.449024	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M-H"	-1.007276
"908528"	298.144824	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-H"	-1.007276
"60109"	614.323471	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M-2H+NH4"	16.019271
"498696"	913.475571	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M-2H+NH4"	16.019271
"872125"	315.171371	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-2H+NH4"	16.019271
"34556"	619.278866	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M-2H+Na"	20.974666
"482865"	918.430966	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M-2H+Na"	20.974666
"856292"	320.126766	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-2H+Na"	20.974666
"1621816"	320.126766	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Na-2H"	20.974666
"96886"	316.133163	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M-H+Cl"	33.962126
"534578"	465.709213	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M-H+Cl"	33.962126
"929966"	166.557113	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-H+Cl"	33.962126
"270344"	633.273602	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+Cl"	34.969402
"661307"	932.425702	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+Cl"	34.969402
"1275169"	334.121502	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Cl"	34.969402
"17732"	635.252806	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M-2H+K"	36.948606
"457286"	934.404906	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M-2H+K"	36.948606
"833266"	336.100706	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-2H+K"	36.948606
"1556144"	336.100706	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+K-2H"	36.948606
"943056"	344.150294	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-H+HCOOH"	44.998194
"361571"	643.302401	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+HCOOH-H"	44.998201
"347106"	657.318051	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+Hac-H"	59.013851
"1492855"	358.165951	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Hac-H"	59.013851
"962021"	366.132251	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-H+NaCOOH"	66.980151
"111051"	334.121502	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+2Cl"	69.938804
"555958"	483.697552	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+2Cl"	69.938804
"1023663"	184.545452	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2Cl"	69.938804
"1241897"	378.070985	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Br"	78.918885
"1312249"	380.126972	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Cl+HCOOH"	80.974872
"1319983"	402.108929	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Cl+NaCOOH"	102.956829
"913520"	412.137686	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M-H+CF3COOH"	112.985586
"1295333"	448.114364	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Cl+CF3COOH"	148.962264
"1369121"	264.139424	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H-2H2O"	-35.012676
"1384063"	282.1494	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H-H2O"	-17.0027
"284479"	599.311476	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+H"	1.007276
"679817"	898.463576	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+H"	1.007276
"1351827"	300.159376	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H"	1.007276
"125749"	300.159376	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+2H"	2.014552
"565742"	449.735426	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+2H"	2.014552
"1037197"	150.583326	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2H"	2.014552
"204492"	200.442009333333	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+3H"	3.021828
"644422"	300.159376	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+3H"	3.021828
"1163968"	100.724642666667	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+3H"	3.021828
"425046"	616.338023	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+NH4"	18.033823
"786170"	915.490123	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+NH4"	18.033823
"1689071"	317.185923	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+NH4"	18.033823
"343185"	308.6726495	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+H+NH4"	19.041099
"736948"	458.2486995	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+H+NH4"	19.041099
"1489062"	159.0965995	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H+NH4"	19.041099
"403366"	621.293418	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+Na"	22.989218
"762181"	920.445518	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+Na"	22.989218
"1612466"	322.141318	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Na"	22.989218
"321410"	311.150347	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+H+Na"	23.996494
"721001"	460.726397	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+H+Na"	23.996494
"1472026"	161.574297	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H+Na"	23.996494
"1059806"	108.051956666667	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2H+Na"	25.00377
"1265860"	332.185586	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+CH3OH+H"	33.033486
"384436"	637.267358	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+K"	38.963158
"747616"	936.419458	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+K"	38.963158
"1548579"	338.115258	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+K"	38.963158
"305753"	319.137317	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+H+K"	39.970434
"692020"	468.713367	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+H+K"	39.970434
"1445840"	169.561267	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H+K"	39.970434
"238415"	640.338026	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+ACN+H"	42.033826
"1212943"	341.185926	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+ACN+H"	42.033826
"1197555"	171.096601	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+ACN+2H"	43.041102
"189697"	643.27536	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+2Na-H"	44.97116
"631079"	942.42746	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+2Na-H"	44.97116
"1135313"	344.12326	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2Na-H"	44.97116
"179697"	322.141318	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+2Na"	45.978436
"622538"	471.717368	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+2Na"	45.978436
"1121304"	172.565268	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2Na"	45.978436
"1407381"	115.379270666667	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H+2Na"	46.985712
"1435123"	346.164846	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H+HCOOH"	47.012746
"222994"	327.17434	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+3H2O+2H"	56.04448
"1513244"	360.21689	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+IsoProp+H"	61.06479
"409406"	330.128288	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+Na+K"	61.952376
"770117"	479.704338	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+Na+K"	61.952376
"1665715"	180.552238	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Na+K"	61.952376
"253503"	662.319968	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+ACN+Na"	64.015768
"1228035"	363.167868	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+ACN+Na"	64.015768
"1718019"	363.191393	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+NH4+HCOOH"	64.039293
"1185197"	122.706584666667	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+3Na"	68.967654
"1649893"	368.146788	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Na+HCOOH"	68.994688
"157414"	675.22324	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+2K-H"	76.91904
"597986"	974.37534	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+2K-H"	76.91904
"1084392"	376.07114	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2K-H"	76.91904
"142475"	338.115258	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"2M+2K"	77.926316
"581487"	487.691308	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"3M+2K"	77.926316
"1068855"	188.539208	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2K"	77.926316
"1105956"	378.085692	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2K+H"	78.933592
"1342340"	378.173307	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+DMSO+H"	79.021207
"1011963"	382.212476	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2ACN+H"	83.060376
"1525715"	383.206108	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+IsoProp+Na+H"	84.054008
"998722"	191.609876	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+2ACN+2H"	84.067652
"1589946"	384.120728	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+K+HCOOH"	84.968628
"1414637"	414.152238	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+H+CF3COOH"	115.000138
"1147838"	212.123151	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+3ACN+2H"	125.094202
"1697634"	431.178785	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+NH4+CF3COOH"	132.026685
"1635843"	436.13418	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+Na+CF3COOH"	136.98208
"1580975"	452.10812	"C09594"	"Neopine"	"C18H21NO3"	"299.1521"	"M+K+CF3COOH"	152.95602
"805874"	348.1236	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M"	0
"981594"	329.10521	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-H2O-H"	-19.01839
"65826"	231.075124	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M-3H"	-3.021828
"510494"	347.116324	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M-3H"	-3.021828
"891574"	115.033924	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-3H"	-3.021828
"11244"	347.116324	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M-2H"	-2.014552
"450803"	521.178124	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M-2H"	-2.014552
"826419"	173.054524	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-2H"	-2.014552
"87507"	695.239924	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M-H"	-1.007276
"529254"	1043.363524	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M-H"	-1.007276
"908151"	347.116324	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-H"	-1.007276
"58152"	712.266471	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M-2H+NH4"	16.019271
"497712"	1060.390071	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M-2H+NH4"	16.019271
"875515"	364.142871	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-2H+NH4"	16.019271
"43416"	717.221866	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M-2H+Na"	20.974666
"482975"	1065.345466	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M-2H+Na"	20.974666
"856402"	369.098266	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-2H+Na"	20.974666
"1624842"	369.098266	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Na-2H"	20.974666
"96996"	365.104663	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M-H+Cl"	33.962126
"535097"	539.166463	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M-H+Cl"	33.962126
"932628"	191.042863	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-H+Cl"	33.962126
"272277"	731.216602	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+Cl"	34.969402
"663608"	1079.340202	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+Cl"	34.969402
"1275279"	383.093002	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Cl"	34.969402
"20394"	733.195806	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M-2H+K"	36.948606
"457763"	1081.319406	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M-2H+K"	36.948606
"833744"	385.072206	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-2H+K"	36.948606
"1556136"	385.072206	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+K-2H"	36.948606
"944145"	393.121794	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-H+HCOOH"	44.998194
"367343"	741.245401	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+HCOOH-H"	44.998201
"351226"	755.261051	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+Hac-H"	59.013851
"1496777"	407.137451	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Hac-H"	59.013851
"959943"	415.103751	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-H+NaCOOH"	66.980151
"113226"	383.093002	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+2Cl"	69.938804
"559348"	557.154802	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+2Cl"	69.938804
"1029240"	209.031202	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2Cl"	69.938804
"1242623"	427.042485	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Br"	78.918885
"1311266"	429.098472	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Cl+HCOOH"	80.974872
"1321112"	451.080429	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Cl+NaCOOH"	102.956829
"913630"	461.109186	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M-H+CF3COOH"	112.985586
"1294349"	497.085864	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Cl+CF3COOH"	148.962264
"1368137"	313.110924	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H-2H2O"	-35.012676
"1385632"	331.1209	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H-H2O"	-17.0027
"284588"	697.254476	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+H"	1.007276
"679927"	1045.378076	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+H"	1.007276
"1351413"	349.130876	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H"	1.007276
"125874"	349.130876	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+2H"	2.014552
"565747"	523.192676	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+2H"	2.014552
"1037165"	175.069076	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2H"	2.014552
"204282"	233.089676	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+3H"	3.021828
"644981"	349.130876	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+3H"	3.021828
"1163107"	117.048476	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+3H"	3.021828
"424389"	714.281023	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+NH4"	18.033823
"785660"	1062.404623	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+NH4"	18.033823
"1689181"	366.157423	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+NH4"	18.033823
"342930"	357.6441495	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+H+NH4"	19.041099
"737175"	531.7059495	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+H+NH4"	19.041099
"1490265"	183.5823495	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H+NH4"	19.041099
"401289"	719.236418	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+Na"	22.989218
"763381"	1067.360018	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+Na"	22.989218
"1610390"	371.112818	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Na"	22.989218
"322613"	360.121847	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+H+Na"	23.996494
"718316"	534.183647	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+H+Na"	23.996494
"1465575"	186.060047	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H+Na"	23.996494
"1066477"	124.37579	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2H+Na"	25.00377
"1267063"	381.157086	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+CH3OH+H"	33.033486
"386732"	735.210358	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+K"	38.963158
"746632"	1083.333958	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+K"	38.963158
"1547594"	387.086758	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+K"	38.963158
"305862"	368.108817	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+H+K"	39.970434
"693914"	542.170617	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+H+K"	39.970434
"1445691"	194.047017	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H+K"	39.970434
"239618"	738.281026	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+ACN+H"	42.033826
"1212692"	390.157426	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+ACN+H"	42.033826
"1198395"	195.582351	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+ACN+2H"	43.041102
"190172"	741.21836	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+2Na-H"	44.97116
"628998"	1089.34196	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+2Na-H"	44.97116
"1136152"	393.09476	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2Na-H"	44.97116
"176526"	371.112818	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+2Na"	45.978436
"617909"	545.174618	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+2Na"	45.978436
"1120685"	197.051018	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2Na"	45.978436
"1402752"	131.703104	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H+2Na"	46.985712
"1431586"	395.136346	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H+HCOOH"	47.012746
"220306"	376.14584	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+3H2O+2H"	56.04448
"1510074"	409.18839	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+IsoProp+H"	61.06479
"408582"	379.099788	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+Na+K"	61.952376
"770177"	553.161588	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+Na+K"	61.952376
"1666349"	205.037988	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Na+K"	61.952376
"254343"	760.262968	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+ACN+Na"	64.015768
"1226686"	412.139368	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+ACN+Na"	64.015768
"1720316"	412.162893	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+NH4+HCOOH"	64.039293
"1185307"	139.030418	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+3Na"	68.967654
"1656662"	417.118288	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Na+HCOOH"	68.994688
"163521"	773.16624	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+2K-H"	76.91904
"602352"	1121.28984	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+2K-H"	76.91904
"1086863"	425.04264	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2K-H"	76.91904
"144411"	387.086758	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"2M+2K"	77.926316
"583726"	561.148558	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"3M+2K"	77.926316
"1069942"	213.024958	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2K"	77.926316
"1106066"	427.057192	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2K+H"	78.933592
"1339170"	427.144807	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+DMSO+H"	79.021207
"1010980"	431.183976	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2ACN+H"	83.060376
"1525825"	432.177608	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+IsoProp+Na+H"	84.054008
"997739"	216.095626	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+2ACN+2H"	84.067652
"1590056"	433.092228	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+K+HCOOH"	84.968628
"1414989"	463.123738	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+H+CF3COOH"	115.000138
"1148194"	236.608901	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+3ACN+2H"	125.094202
"1697744"	480.150285	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+NH4+CF3COOH"	132.026685
"1637775"	485.10568	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+Na+CF3COOH"	136.98208
"1581085"	501.07962	"C09595"	"Nitidine"	"C21H18NO4"	"348.1236"	"M+K+CF3COOH"	152.95602
"802704"	622.3043	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M"	0
"975629"	603.28591	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-H2O-H"	-19.01839
"64479"	413.862257333333	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M-3H"	-3.021828
"508418"	621.297024	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M-3H"	-3.021828
"888405"	206.427490666667	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-3H"	-3.021828
"9168"	621.297024	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M-2H"	-2.014552
"446540"	932.449174	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M-2H"	-2.014552
"825436"	310.144874	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-2H"	-2.014552
"88710"	1243.601324	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M-H"	-1.007276
"529364"	1865.905624	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M-H"	-1.007276
"908260"	621.297024	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-H"	-1.007276
"58262"	1260.627871	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M-2H+NH4"	16.019271
"498915"	1882.932171	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M-2H+NH4"	16.019271
"873438"	638.323571	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-2H+NH4"	16.019271
"41339"	1265.583266	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M-2H+Na"	20.974666
"480898"	1887.887566	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M-2H+Na"	20.974666
"855419"	643.278966	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-2H+Na"	20.974666
"1621672"	643.278966	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Na-2H"	20.974666
"95157"	639.285363	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M-H+Cl"	33.962126
"534588"	950.437513	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M-H+Cl"	33.962126
"937841"	328.133213	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-H+Cl"	33.962126
"275303"	1279.578002	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+Cl"	34.969402
"661407"	1901.882302	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+Cl"	34.969402
"1273810"	657.273702	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Cl"	34.969402
"17587"	1281.557206	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M-2H+K"	36.948606
"457020"	1903.861506	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M-2H+K"	36.948606
"833245"	659.252906	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-2H+K"	36.948606
"1556487"	659.252906	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+K-2H"	36.948606
"943398"	667.302494	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-H+HCOOH"	44.998194
"363443"	1289.606801	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+HCOOH-H"	44.998201
"348056"	1303.622451	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+Hac-H"	59.013851
"1495793"	681.318151	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Hac-H"	59.013851
"963334"	689.284451	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-H+NaCOOH"	66.980151
"115523"	657.273702	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+2Cl"	69.938804
"553989"	968.425852	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+2Cl"	69.938804
"1024976"	346.121552	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2Cl"	69.938804
"1241756"	701.223185	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Br"	78.918885
"1305543"	703.279172	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Cl+HCOOH"	80.974872
"1320129"	725.261129	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Cl+NaCOOH"	102.956829
"913376"	735.289886	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M-H+CF3COOH"	112.985586
"1293366"	771.266564	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Cl+CF3COOH"	148.962264
"1367107"	587.291624	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H-2H2O"	-35.012676
"1385742"	605.3016	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H-H2O"	-17.0027
"283605"	1245.615876	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+H"	1.007276
"680037"	1867.920176	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+H"	1.007276
"1351766"	623.311576	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H"	1.007276
"126471"	623.311576	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+2H"	2.014552
"567739"	934.463726	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+2H"	2.014552
"1037346"	312.159426	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2H"	2.014552
"205898"	415.876809333333	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+3H"	3.021828
"646552"	623.311576	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+3H"	3.021828
"1163221"	208.442042666667	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+3H"	3.021828
"424458"	1262.642423	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+NH4"	18.033823
"786516"	1884.946723	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+NH4"	18.033823
"1685280"	640.338123	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+NH4"	18.033823
"335384"	631.8248495	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+H+NH4"	19.041099
"733273"	942.9769995	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+H+NH4"	19.041099
"1484906"	320.6726995	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H+NH4"	19.041099
"401399"	1267.597818	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+Na"	22.989218
"763491"	1889.902118	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+Na"	22.989218
"1613780"	645.293518	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Na"	22.989218
"322723"	634.302547	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+H+Na"	23.996494
"720613"	945.454697	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+H+Na"	23.996494
"1464591"	323.150397	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H+Na"	23.996494
"1063307"	215.769356666667	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2H+Na"	25.00377
"1266079"	655.337786	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+CH3OH+H"	33.033486
"386842"	1283.571758	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+K"	38.963158
"745650"	1905.876058	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+K"	38.963158
"1548796"	661.267458	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+K"	38.963158
"303785"	642.289517	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+H+K"	39.970434
"691952"	953.441667	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+H+K"	39.970434
"1446748"	331.137367	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H+K"	39.970434
"238997"	1286.642426	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+ACN+H"	42.033826
"1213895"	664.338126	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+ACN+H"	42.033826
"1196319"	332.672701	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+ACN+2H"	43.041102
"189554"	1289.57976	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+2Na-H"	44.97116
"630935"	1911.88406	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+2Na-H"	44.97116
"1133346"	667.27546	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2Na-H"	44.97116
"178458"	645.293518	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+2Na"	45.978436
"616195"	956.445668	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+2Na"	45.978436
"1117636"	334.141368	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2Na"	45.978436
"1401768"	223.096670666667	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H+2Na"	46.985712
"1435343"	669.317046	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H+HCOOH"	47.012746
"221391"	650.32654	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+3H2O+2H"	56.04448
"1512735"	683.36909	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+H"	61.06479
"409016"	653.280488	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+Na+K"	61.952376
"770657"	964.432638	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+Na+K"	61.952376
"1666826"	342.128338	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Na+K"	61.952376
"255546"	1308.624368	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+ACN+Na"	64.015768
"1228255"	686.320068	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+ACN+Na"	64.015768
"1719698"	686.343593	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+NH4+HCOOH"	64.039293
"1181406"	230.423984666667	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+3Na"	68.967654
"1657865"	691.298988	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Na+HCOOH"	68.994688
"164725"	1321.52764	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+2K-H"	76.91904
"600274"	1943.83194	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+2K-H"	76.91904
"1086973"	699.22334	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2K-H"	76.91904
"144521"	661.267458	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"2M+2K"	77.926316
"582013"	972.419608	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"3M+2K"	77.926316
"1071875"	350.115308	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2K"	77.926316
"1106176"	701.237892	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2K+H"	78.933592
"1339280"	701.325507	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+DMSO+H"	79.021207
"1012183"	705.364676	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2ACN+H"	83.060376
"1527028"	706.358308	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+Na+H"	84.054008
"997849"	353.185976	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+2ACN+2H"	84.067652
"1593447"	707.272928	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+K+HCOOH"	84.968628
"1415828"	737.304438	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+H+CF3COOH"	115.000138
"1147575"	373.699251	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+3ACN+2H"	125.094202
"1697488"	754.330985	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+NH4+CF3COOH"	132.026685
"1636792"	759.28638	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+Na+CF3COOH"	136.98208
"1581195"	775.26032	"C09596"	"Obaberine"	"C38H42N2O6"	"622.3043"	"M+K+CF3COOH"	152.95602
"802814"	351.1471	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M"	0
"975618"	332.12871	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-H2O-H"	-19.01839
"65682"	233.090790666667	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M-3H"	-3.021828
"507434"	350.139824	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M-3H"	-3.021828
"889608"	116.041757333333	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-3H"	-3.021828
"10369"	350.139824	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M-2H"	-2.014552
"448836"	525.713374	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M-2H"	-2.014552
"827731"	174.566274	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-2H"	-2.014552
"87724"	701.286924	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M-H"	-1.007276
"525098"	1052.434024	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M-H"	-1.007276
"902901"	350.139824	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-H"	-1.007276
"58371"	718.313471	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M-2H+NH4"	16.019271
"493557"	1069.460571	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M-2H+NH4"	16.019271
"874641"	367.166371	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-2H+NH4"	16.019271
"41449"	723.268866	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M-2H+Na"	20.974666
"478821"	1074.415966	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M-2H+Na"	20.974666
"853342"	372.121766	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-2H+Na"	20.974666
"1621782"	372.121766	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Na-2H"	20.974666
"94902"	368.128163	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M-H+Cl"	33.962126
"534657"	543.701713	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M-H+Cl"	33.962126
"941231"	192.554613	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-H+Cl"	33.962126
"275413"	737.263602	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+Cl"	34.969402
"663463"	1088.410702	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+Cl"	34.969402
"1275139"	386.116502	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Cl"	34.969402
"18426"	739.242806	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M-2H+K"	36.948606
"457616"	1090.389906	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M-2H+K"	36.948606
"833351"	388.095706	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-2H+K"	36.948606
"1557816"	388.095706	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+K-2H"	36.948606
"943512"	396.145294	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-H+HCOOH"	44.998194
"368656"	747.292401	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+HCOOH-H"	44.998201
"348166"	761.308051	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+Hac-H"	59.013851
"1493591"	410.160951	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Hac-H"	59.013851
"966723"	418.127251	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-H+NaCOOH"	66.980151
"114539"	386.116502	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+2Cl"	69.938804
"555192"	561.690052	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+2Cl"	69.938804
"1027272"	210.542952	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2Cl"	69.938804
"1241867"	430.065985	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Br"	78.918885
"1305163"	432.121972	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Cl+HCOOH"	80.974872
"1321697"	454.103929	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Cl+NaCOOH"	102.956829
"913486"	464.132686	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M-H+CF3COOH"	112.985586
"1296756"	500.109364	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Cl+CF3COOH"	148.962264
"1367181"	316.134424	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H-2H2O"	-35.012676
"1386945"	334.1444	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H-H2O"	-17.0027
"286630"	703.301476	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+H"	1.007276
"680147"	1054.448576	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+H"	1.007276
"1351751"	352.154376	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H"	1.007276
"126823"	352.154376	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+2H"	2.014552
"567849"	527.727926	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+2H"	2.014552
"1037739"	176.580826	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2H"	2.014552
"206008"	235.105342666667	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+3H"	3.021828
"647391"	352.154376	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+3H"	3.021828
"1163331"	118.056309333333	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+3H"	3.021828
"424311"	720.328023	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+NH4"	18.033823
"786505"	1071.475123	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+NH4"	18.033823
"1688305"	369.180923	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+NH4"	18.033823
"336584"	360.6676495	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+H+NH4"	19.041099
"733383"	536.2411995	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+H+NH4"	19.041099
"1486109"	185.0940995	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H+NH4"	19.041099
"400415"	725.283418	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+Na"	22.989218
"763601"	1076.430518	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+Na"	22.989218
"1606235"	374.136318	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Na"	22.989218
"320646"	363.145347	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+H+Na"	23.996494
"710881"	538.718897	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+H+Na"	23.996494
"1465795"	187.571797	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H+Na"	23.996494
"1062322"	125.383623333333	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2H+Na"	25.00377
"1269469"	384.180586	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+CH3OH+H"	33.033486
"388043"	741.257358	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+K"	38.963158
"744667"	1092.404458	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+K"	38.963158
"1548906"	390.110258	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+K"	38.963158
"303895"	371.132317	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+H+K"	39.970434
"701787"	546.705867	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+H+K"	39.970434
"1454514"	195.558767	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H+K"	39.970434
"243117"	744.328026	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+ACN+H"	42.033826
"1216922"	393.180926	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+ACN+H"	42.033826
"1199711"	197.094101	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+ACN+2H"	43.041102
"191123"	747.26536	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+2Na-H"	44.97116
"631411"	1098.41246	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+2Na-H"	44.97116
"1133333"	396.11826	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2Na-H"	44.97116
"175166"	374.136318	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+2Na"	45.978436
"616671"	549.709868	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+2Na"	45.978436
"1118841"	198.562768	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2Na"	45.978436
"1404430"	132.710937333333	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H+2Na"	46.985712
"1435453"	398.159846	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H+HCOOH"	47.012746
"221987"	379.16934	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+3H2O+2H"	56.04448
"1515397"	412.21189	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+IsoProp+H"	61.06479
"409979"	382.123288	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+Na+K"	61.952376
"770849"	557.696838	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+Na+K"	61.952376
"1666813"	206.549738	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Na+K"	61.952376
"255656"	766.309968	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+ACN+Na"	64.015768
"1229458"	415.162868	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+ACN+Na"	64.015768
"1713975"	415.186393	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+NH4+HCOOH"	64.039293
"1179688"	140.038251333333	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+3Na"	68.967654
"1651409"	420.141788	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Na+HCOOH"	68.994688
"162648"	779.21324	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+2K-H"	76.91904
"599656"	1130.36034	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+2K-H"	76.91904
"1086354"	428.06614	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2K-H"	76.91904
"144631"	390.110258	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"2M+2K"	77.926316
"582609"	565.683808	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"3M+2K"	77.926316
"1076359"	214.536708	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2K"	77.926316
"1103006"	430.080692	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2K+H"	78.933592
"1339389"	430.168307	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+DMSO+H"	79.021207
"1010106"	434.207476	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2ACN+H"	83.060376
"1529325"	435.201108	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+IsoProp+Na+H"	84.054008
"995772"	217.607376	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+2ACN+2H"	84.067652
"1596837"	436.115728	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+K+HCOOH"	84.968628
"1415937"	466.147238	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+H+CF3COOH"	115.000138
"1147804"	238.120651	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+3ACN+2H"	125.094202
"1697962"	483.173785	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+NH4+CF3COOH"	132.026685
"1636902"	488.12918	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+Na+CF3COOH"	136.98208
"1581305"	504.10312	"C09597"	"Ochotensine"	"C21H21NO4"	"351.1471"	"M+K+CF3COOH"	152.95602
"811674"	608.2886	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M"	0
"978646"	589.27021	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-H2O-H"	-19.01839
"73451"	404.518457333333	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M-3H"	-3.021828
"509732"	607.281324	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M-3H"	-3.021828
"889719"	201.755590666667	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-3H"	-3.021828
"10480"	607.281324	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M-2H"	-2.014552
"446030"	911.425624	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M-2H"	-2.014552
"823467"	303.137024	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-2H"	-2.014552
"86740"	1215.569924	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M-H"	-1.007276
"526303"	1823.858524	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M-H"	-1.007276
"905198"	607.281324	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-H"	-1.007276
"54106"	1232.596471	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M-2H+NH4"	16.019271
"493667"	1840.885071	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M-2H+NH4"	16.019271
"873656"	624.307871	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-2H+NH4"	16.019271
"41559"	1237.551866	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M-2H+Na"	20.974666
"473950"	1845.840466	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M-2H+Na"	20.974666
"851266"	629.263266	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-2H+Na"	20.974666
"1619582"	629.263266	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Na-2H"	20.974666
"95261"	625.269663	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M-H+Cl"	33.962126
"534399"	929.413963	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M-H+Cl"	33.962126
"930405"	321.125363	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-H+Cl"	33.962126
"268230"	1251.546602	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+Cl"	34.969402
"662115"	1859.835202	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+Cl"	34.969402
"1276342"	643.258002	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Cl"	34.969402
"17801"	1253.525806	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M-2H+K"	36.948606
"458459"	1861.814406	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M-2H+K"	36.948606
"838086"	645.237206	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-2H+K"	36.948606
"1557320"	645.237206	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+K-2H"	36.948606
"947271"	653.286794	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-H+HCOOH"	44.998194
"370953"	1261.575401	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+HCOOH-H"	44.998201
"349367"	1275.591051	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+Hac-H"	59.013851
"1493948"	667.302451	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Hac-H"	59.013851
"961367"	675.268751	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-H+NaCOOH"	66.980151
"117930"	643.258002	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+2Cl"	69.938804
"556396"	947.402302	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+2Cl"	69.938804
"1029568"	339.113702	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2Cl"	69.938804
"1241735"	687.207485	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Br"	78.918885
"1305395"	689.263472	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Cl+HCOOH"	80.974872
"1321078"	711.245429	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Cl+NaCOOH"	102.956829
"914324"	721.274186	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M-H+CF3COOH"	112.985586
"1299053"	757.250864	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Cl+CF3COOH"	148.962264
"1372842"	573.275924	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H-2H2O"	-35.012676
"1385962"	591.2859	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H-H2O"	-17.0027
"284919"	1217.584476	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+H"	1.007276
"683537"	1825.873076	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+H"	1.007276
"1352594"	609.295876	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H"	1.007276
"126697"	609.295876	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+2H"	2.014552
"569053"	913.440176	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+2H"	2.014552
"1040040"	305.151576	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2H"	2.014552
"210129"	406.533009333333	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+3H"	3.021828
"648596"	609.295876	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+3H"	3.021828
"1167814"	203.770142666667	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+3H"	3.021828
"425618"	1234.611023	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+NH4"	18.033823
"786979"	1842.899623	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+NH4"	18.033823
"1686231"	626.322423	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+NH4"	18.033823
"335603"	617.8091495	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+H+NH4"	19.041099
"730213"	921.9534495	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+H+NH4"	19.041099
"1485127"	313.6648495	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H+NH4"	19.041099
"395428"	1239.566418	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+Na"	22.989218
"758247"	1847.855018	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+Na"	22.989218
"1606343"	631.277818	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Na"	22.989218
"319663"	620.286847	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+H+Na"	23.996494
"713178"	924.431147	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+H+Na"	23.996494
"1464812"	316.142547	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H+Na"	23.996494
"1064255"	211.097456666667	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2H+Na"	25.00377
"1272257"	641.322086	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+CH3OH+H"	33.033486
"384874"	1255.540358	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+K"	38.963158
"748055"	1863.828958	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+K"	38.963158
"1547924"	647.251758	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+K"	38.963158
"302913"	628.273817	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+H+K"	39.970434
"697520"	932.418117	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+H+K"	39.970434
"1453530"	324.129517	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H+K"	39.970434
"241038"	1258.611026	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+ACN+H"	42.033826
"1217027"	650.322426	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+ACN+H"	42.033826
"1195928"	325.664851	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+ACN+2H"	43.041102
"191594"	1261.54836	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+2Na-H"	44.97116
"637717"	1869.83696	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+2Na-H"	44.97116
"1137942"	653.25976	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2Na-H"	44.97116
"178314"	631.277818	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+2Na"	45.978436
"617147"	935.422118	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+2Na"	45.978436
"1123206"	327.133518	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2Na"	45.978436
"1408917"	218.424770666667	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H+2Na"	46.985712
"1436657"	655.301346	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H+HCOOH"	47.012746
"223435"	636.31084	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+3H2O+2H"	56.04448
"1509673"	669.35339	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+H"	61.06479
"410088"	639.264788	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+Na+K"	61.952376
"770718"	943.409088	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+Na+K"	61.952376
"1669247"	335.120488	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Na+K"	61.952376
"253579"	1280.592968	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+ACN+Na"	64.015768
"1225831"	672.304368	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+ACN+Na"	64.015768
"1714082"	672.327893	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+NH4+HCOOH"	64.039293
"1179798"	225.752084666667	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+3Na"	68.967654
"1650583"	677.283288	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Na+HCOOH"	68.994688
"161297"	1293.49624	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+2K-H"	76.91904
"603411"	1901.78484	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+2K-H"	76.91904
"1085734"	685.20764	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2K-H"	76.91904
"143037"	647.251758	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"2M+2K"	77.926316
"586486"	951.396058	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"3M+2K"	77.926316
"1070999"	343.107458	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2K"	77.926316
"1103114"	687.222192	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2K+H"	78.933592
"1338406"	687.309807	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+DMSO+H"	79.021207
"1012402"	691.348976	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2ACN+H"	83.060376
"1533808"	692.342608	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+Na+H"	84.054008
"994792"	346.178126	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+2ACN+2H"	84.067652
"1591482"	693.257228	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+K+HCOOH"	84.968628
"1414380"	723.288738	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+H+CF3COOH"	115.000138
"1148643"	366.691401	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+3ACN+2H"	125.094202
"1697223"	740.315285	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+NH4+CF3COOH"	132.026685
"1635922"	745.27068	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+Na+CF3COOH"	136.98208
"1581415"	761.24462	"C09598"	"Oxyacanthine"	"C37H40N2O6"	"608.2886"	"M+K+CF3COOH"	152.95602
"801941"	353.1263	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M"	0
"977658"	334.10791	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-H2O-H"	-19.01839
"72469"	234.410257333333	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M-3H"	-3.021828
"507655"	352.119024	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M-3H"	-3.021828
"888735"	116.701490666667	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-3H"	-3.021828
"8402"	352.119024	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M-2H"	-2.014552
"446870"	528.682174	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M-2H"	-2.014552
"825763"	175.555874	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-2H"	-2.014552
"85756"	705.245324	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M-H"	-1.007276
"520943"	1058.371624	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M-H"	-1.007276
"904215"	352.119024	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-H"	-1.007276
"52030"	722.271871	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M-2H+NH4"	16.019271
"491591"	1075.398171	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M-2H+NH4"	16.019271
"872673"	369.145571	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-2H+NH4"	16.019271
"39483"	727.227266	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M-2H+Na"	20.974666
"481229"	1080.353566	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M-2H+Na"	20.974666
"851376"	374.100966	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-2H+Na"	20.974666
"1622002"	374.100966	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Na-2H"	20.974666
"97437"	370.107363	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M-H+Cl"	33.962126
"534679"	546.670513	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M-H+Cl"	33.962126
"931609"	193.544213	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-H+Cl"	33.962126
"267355"	741.222002	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+Cl"	34.969402
"660403"	1094.348302	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+Cl"	34.969402
"1275724"	388.095702	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Cl"	34.969402
"17181"	743.201206	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M-2H+K"	36.948606
"458206"	1096.327506	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M-2H+K"	36.948606
"835037"	390.074906	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-2H+K"	36.948606
"1559496"	390.074906	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+K-2H"	36.948606
"950661"	398.124494	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-H+HCOOH"	44.998194
"366690"	751.250801	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+HCOOH-H"	44.998201
"350571"	765.266451	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+Hac-H"	59.013851
"1498311"	412.140151	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Hac-H"	59.013851
"961477"	420.106451	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-H+NaCOOH"	66.980151
"116946"	388.095702	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+2Cl"	69.938804
"560880"	564.658852	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+2Cl"	69.938804
"1026400"	211.532552	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2Cl"	69.938804
"1243790"	432.045185	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Br"	78.918885
"1304290"	434.101172	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Cl+HCOOH"	80.974872
"1327017"	456.083129	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Cl+NaCOOH"	102.956829
"912244"	466.111886	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M-H+CF3COOH"	112.985586
"1288953"	502.088564	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Cl+CF3COOH"	148.962264
"1368574"	318.113624	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H-2H2O"	-35.012676
"1389353"	336.1236	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H-H2O"	-17.0027
"283692"	707.259876	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+H"	1.007276
"678180"	1060.386176	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+H"	1.007276
"1353433"	354.133576	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H"	1.007276
"126679"	354.133576	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+2H"	2.014552
"569163"	530.696726	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+2H"	2.014552
"1040151"	177.570426	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2H"	2.014552
"208417"	236.424809333333	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+3H"	3.021828
"647613"	354.133576	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+3H"	3.021828
"1170111"	118.716042666667	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+3H"	3.021828
"427915"	724.286423	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+NH4"	18.033823
"785750"	1077.412723	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+NH4"	18.033823
"1684517"	371.160123	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+NH4"	18.033823
"334620"	362.6468495	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+H+NH4"	19.041099
"728135"	539.2099995	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+H+NH4"	19.041099
"1480495"	186.0836995	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H+NH4"	19.041099
"395531"	729.241818	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+Na"	22.989218
"758356"	1082.368118	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+Na"	22.989218
"1604265"	376.115518	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Na"	22.989218
"314623"	365.124547	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+H+Na"	23.996494
"707815"	541.687697	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+H+Na"	23.996494
"1462004"	188.561397	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H+Na"	23.996494
"1064729"	126.043356666667	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2H+Na"	25.00377
"1266408"	386.159786	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+CH3OH+H"	33.033486
"387171"	745.215758	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+K"	38.963158
"748165"	1098.342058	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+K"	38.963158
"1545847"	392.089458	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+K"	38.963158
"306303"	373.111517	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+H+K"	39.970434
"695078"	549.674667	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+H+K"	39.970434
"1453640"	196.548367	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H+K"	39.970434
"242241"	748.286426	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+ACN+H"	42.033826
"1217137"	395.160126	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+ACN+H"	42.033826
"1197740"	198.083701	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+ACN+2H"	43.041102
"196079"	751.22376	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+2Na-H"	44.97116
"633452"	1104.35006	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+2Na-H"	44.97116
"1138052"	398.09746	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2Na-H"	44.97116
"180249"	376.115518	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+2Na"	45.978436
"624184"	552.678668	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+2Na"	45.978436
"1123315"	199.552368	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2Na"	45.978436
"1410120"	133.370670666667	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H+2Na"	46.985712
"1433487"	400.139046	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H+HCOOH"	47.012746
"223183"	381.14854	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+3H2O+2H"	56.04448
"1510516"	414.19109	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+IsoProp+H"	61.06479
"410204"	384.102488	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+Na+K"	61.952376
"771922"	560.665638	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+Na+K"	61.952376
"1666077"	207.539338	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Na+K"	61.952376
"253689"	770.268368	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+ACN+Na"	64.015768
"1225698"	417.142068	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+ACN+Na"	64.015768
"1712782"	417.165593	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+NH4+HCOOH"	64.039293
"1179543"	140.697984666667	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+3Na"	68.967654
"1651015"	422.120988	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Na+HCOOH"	68.994688
"160677"	783.17164	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+2K-H"	76.91904
"598414"	1136.29794	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+2K-H"	76.91904
"1086206"	430.04534	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2K-H"	76.91904
"141680"	392.089458	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"2M+2K"	77.926316
"583313"	568.652608	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"3M+2K"	77.926316
"1068672"	215.526308	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2K"	77.926316
"1102130"	432.059892	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2K+H"	78.933592
"1339609"	432.147507	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+DMSO+H"	79.021207
"1013605"	436.186676	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2ACN+H"	83.060376
"1531731"	437.180308	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+IsoProp+Na+H"	84.054008
"995994"	218.596976	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+2ACN+2H"	84.067652
"1588798"	438.094928	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+K+HCOOH"	84.968628
"1414577"	468.126438	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+H+CF3COOH"	115.000138
"1148632"	239.110251	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+3ACN+2H"	125.094202
"1697818"	485.152985	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+NH4+CF3COOH"	132.026685
"1638219"	490.10838	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+Na+CF3COOH"	136.98208
"1581525"	506.08232	"C09599"	"Parfumine"	"C20H19NO5"	"353.1263"	"M+K+CF3COOH"	152.95602
"803144"	264.1362	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M"	0
"978862"	245.11781	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"72579"	175.083524	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"509952"	263.128924	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"885566"	87.038124	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"8514"	263.128924	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"448075"	395.197024	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"821503"	131.060824	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"86960"	527.265124	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"524336"	791.401324	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"904326"	263.128924	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"56514"	544.291671	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"491701"	808.427871	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"869137"	280.155471	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"38494"	549.247066	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"481338"	813.383266	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"860232"	285.110866	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1628673"	285.110866	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"97909"	281.117263	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"540390"	413.185363	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"933907"	149.049163	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"268941"	563.241802	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"661969"	827.378002	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1277295"	299.105602	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"16934"	565.221006	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"458318"	829.357206	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"836119"	301.084806	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1561795"	301.084806	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"949676"	309.134394	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"372265"	573.270601	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"353961"	587.286251	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1502792"	323.150051	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"964867"	331.116351	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"118150"	299.105602	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"554429"	431.173702	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1026508"	167.037502	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1244265"	343.055085	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1314006"	345.111072	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1323852"	367.093029	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"914907"	377.121786	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1291252"	413.098464	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1368684"	229.123524	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1386183"	247.1335	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"283557"	529.279676	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"680479"	793.415876	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1353547"	265.143476	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"127161"	265.143476	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"571465"	397.211576	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1043545"	133.075376	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"208166"	177.098076	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"647725"	265.143476	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1168034"	89.052676	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"430213"	546.306223	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"794497"	810.442423	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1691922"	282.170023	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"339107"	273.6567495	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"730434"	405.7248495	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1484253"	141.5886495	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"398556"	551.261618	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"763934"	815.397818	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1604378"	287.125418	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"317698"	276.134447	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"709389"	408.202547	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1472688"	144.066347	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1064839"	96.37999	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1265429"	297.169686	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"384002"	567.235558	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"743905"	831.371758	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1549239"	303.099358	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"308603"	284.121417	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"699931"	416.189517	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1453750"	152.053317	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"241259"	570.306226	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1216155"	306.170026	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1205143"	153.588651	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"196558"	573.24356	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"634657"	837.37976	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1141444"	309.10736	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"181456"	287.125418	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"621014"	419.193518	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1125613"	155.057318	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1406950"	103.707304	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1432867"	311.148946	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"227667"	292.15844	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1512449"	325.20099	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"413229"	295.112388	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"771429"	427.180488	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1666552"	163.044288	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"253070"	592.288168	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1228695"	328.151968	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1716491"	328.175493	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1179532"	111.034618	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1650069"	333.130888	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"158109"	605.19144	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"597546"	869.32764	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1084892"	341.05524	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"141507"	303.099358	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"583547"	435.167458	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1069149"	171.031258	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1103336"	343.069792	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1335820"	343.157407	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1006425"	347.196576	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1524426"	348.190208	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"991731"	174.101926	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1588423"	349.104828	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1415170"	379.136338	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1148013"	194.615201	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1697687"	396.162885	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1634437"	401.11828	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1572887"	417.09222	"C09600"	"Vulgarin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"805441"	246.1256	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M"	0
"982252"	227.10721	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"74868"	163.076457333333	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"511155"	245.118324	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"891142"	81.0345906666667	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"6437"	245.118324	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"447092"	368.181124	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"825986"	122.055524	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"85978"	491.243924	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"524445"	737.369524	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"901154"	245.118324	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"54437"	508.270471	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"492904"	754.396071	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"872890"	262.144871	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"38968"	513.225866	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"480352"	759.351466	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"857063"	267.100266	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1629876"	267.100266	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"96561"	263.106663	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"536485"	386.169463	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"929273"	140.043863	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"274761"	527.220602	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"662076"	773.346202	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1277405"	281.095002	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"21055"	529.199806	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"458428"	775.325406	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"834163"	283.074206	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1561905"	283.074206	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"943549"	291.123794	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"369097"	537.249401	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"354071"	551.265051	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1497436"	305.139451	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"964978"	313.105751	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"119353"	281.095002	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"560007"	404.157802	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1029901"	158.032202	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1245104"	325.044485	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1314116"	327.100472	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1323962"	349.082429	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"915017"	359.111186	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1292822"	395.087864	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1369522"	211.112924	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1386293"	229.1229	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"284153"	493.258476	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"680589"	739.384076	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1360217"	247.132876	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"127271"	247.132876	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"575949"	370.195676	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1043655"	124.070076	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"210462"	165.091009333333	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"650385"	247.132876	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1167417"	83.0491426666667	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"431417"	510.285023	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"796795"	756.410623	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1690938"	264.159423	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"335934"	255.6461495	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"730543"	378.7089495	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1485456"	132.5833495	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"397208"	515.240418	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"760757"	761.366018	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1605578"	269.114818	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"318899"	258.123847	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"712416"	381.186647	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1469517"	135.061047	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1061669"	90.3764566666667	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1265535"	279.159086	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"386297"	531.214358	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"745108"	777.339958	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1543517"	285.088758	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"304338"	266.110817	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"698218"	389.173617	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1451674"	143.048017	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"241371"	534.285026	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1218455"	288.159426	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1204524"	144.583351	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"198490"	537.22236	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"634767"	783.34796	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1141555"	291.09676	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"182659"	269.114818	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"621124"	392.177618	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1125723"	146.052018	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1408153"	97.7037706666667	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1434801"	293.138346	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"226684"	274.14784	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1512559"	307.19039	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"415526"	277.101788	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"778708"	400.164588	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1670665"	154.038988	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"254274"	556.266968	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1228074"	310.141368	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1713561"	310.164893	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1180495"	105.031084666667	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1652577"	315.120288	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"159438"	569.17024	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"597901"	815.29584	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1085332"	323.04464	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"142882"	285.088758	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"583536"	408.151558	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1069260"	162.025958	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1104539"	325.059192	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1336058"	325.146807	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1007388"	329.185976	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1530861"	330.179608	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"997309"	165.096626	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1594002"	331.094228	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1414555"	361.125738	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1148490"	185.609901	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1702784"	378.152285	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1634199"	383.10768	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1572997"	399.08162	"C09601"	"Xanthatin"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"805551"	306.1467	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M"	0
"983455"	287.12831	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"74978"	203.090524	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"513447"	305.139424	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"893439"	101.041624	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"9827"	305.139424	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"448294"	458.212774	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"825001"	152.066074	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"88273"	611.286124	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"523462"	917.432824	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"904542"	305.139424	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"53452"	628.312671	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"495198"	934.459371	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"872998"	322.165971	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"39807"	633.268066	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"482652"	939.414766	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"860452"	327.121366	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1631079"	327.121366	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"98860"	323.127763	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"536231"	476.201113	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"929020"	170.054413	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"271590"	647.262802	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"666201"	953.409502	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1277515"	341.116102	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"18978"	649.242006	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"461818"	955.388706	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"837432"	343.095306	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1562015"	343.095306	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"947710"	351.144894	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"372487"	657.291601	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"353088"	671.307251	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1497546"	365.160551	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"965088"	373.126851	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"119462"	341.116102	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"560117"	494.189452	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1031105"	188.042752	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1246308"	385.065585	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1317143"	387.121572	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1329539"	409.103529	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"922782"	419.132286	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1296212"	455.108964	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1376560"	271.134024	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1389683"	289.144	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"285359"	613.300676	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"687259"	919.447376	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1360327"	307.153976	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"128838"	307.153976	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"578975"	460.227326	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1048139"	154.080626	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"216040"	205.105076	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"652320"	307.153976	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1170444"	103.056176	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"430070"	630.327223	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"796541"	936.473923	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1689955"	324.180523	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"336045"	315.6672495	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"728831"	468.7405995	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1483380"	162.5938995	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"396591"	635.282618	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"759774"	941.429318	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1608967"	329.135918	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"319009"	318.144947	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"712526"	471.218297	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1470720"	165.071597	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1057404"	110.38349	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1265645"	339.180186	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"385313"	651.256558	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"746309"	957.403258	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1550554"	345.109858	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"308824"	326.131917	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"699056"	479.205267	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1457251"	173.058567	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"246948"	654.327226	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1220750"	348.180526	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1206820"	174.593901	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"198598"	657.26456	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"634877"	963.41126	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1137289"	351.11786	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"184955"	329.135918	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"623420"	482.209268	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1129113"	176.062568	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1409356"	117.710804	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1436005"	353.159446	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"226794"	334.16894	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1515949"	367.21149	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"414543"	337.122888	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"779911"	490.196238	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1666400"	184.049538	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"259490"	676.309168	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1229281"	370.162468	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1717075"	370.185993	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1181334"	125.038118	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1652686"	375.141388	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"159548"	689.21244	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"598376"	995.35914	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1085078"	383.06574	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"143113"	345.109858	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"583646"	498.183208	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1074721"	192.036508	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1103190"	385.080292	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1336533"	385.167907	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1010658"	389.207076	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1534252"	390.200708	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"998513"	195.107176	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1595205"	391.115328	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1419772"	421.146838	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1148601"	215.620451	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1702895"	438.173385	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1635018"	443.12878	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1572012"	459.10272	"C09602"	"Xanthinin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"805661"	306.1467	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M"	0
"984659"	287.12831	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-H2O-H"	-19.01839
"76183"	203.090524	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M-3H"	-3.021828
"512464"	305.139424	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M-3H"	-3.021828
"891361"	101.041624	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-3H"	-3.021828
"8845"	305.139424	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M-2H"	-2.014552
"449498"	458.212774	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M-2H"	-2.014552
"827297"	152.066074	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-2H"	-2.014552
"89477"	611.286124	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M-H"	-1.007276
"525757"	917.432824	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M-H"	-1.007276
"901374"	305.139424	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-H"	-1.007276
"56839"	628.312671	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M-2H+NH4"	16.019271
"495306"	934.459371	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M-2H+NH4"	16.019271
"873107"	322.165971	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-2H+NH4"	16.019271
"35905"	633.268066	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M-2H+Na"	20.974666
"482762"	939.414766	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M-2H+Na"	20.974666
"861656"	327.121366	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-2H+Na"	20.974666
"1626815"	327.121366	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Na-2H"	20.974666
"97878"	323.127763	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M-H+Cl"	33.962126
"539625"	476.201113	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M-H+Cl"	33.962126
"933143"	170.054413	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-H+Cl"	33.962126
"280448"	647.262802	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+Cl"	34.969402
"668496"	953.409502	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+Cl"	34.969402
"1280905"	341.116102	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Cl"	34.969402
"22368"	649.242006	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M-2H+K"	36.948606
"459740"	955.388706	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M-2H+K"	36.948606
"840823"	343.095306	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-2H+K"	36.948606
"1567592"	343.095306	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+K-2H"	36.948606
"950007"	351.144894	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-H+HCOOH"	44.998194
"369316"	657.291601	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+HCOOH-H"	44.998201
"353198"	671.307251	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+Hac-H"	59.013851
"1497656"	365.160551	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Hac-H"	59.013851
"963011"	373.126851	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-H+NaCOOH"	66.980151
"119572"	341.116102	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+2Cl"	69.938804
"562413"	494.189452	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+2Cl"	69.938804
"1032308"	188.042752	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2Cl"	69.938804
"1246418"	385.065585	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Br"	78.918885
"1318833"	387.121572	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Cl+HCOOH"	80.974872
"1329649"	409.103529	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Cl+NaCOOH"	102.956829
"919612"	419.132286	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M-H+CF3COOH"	112.985586
"1296322"	455.108964	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Cl+CF3COOH"	148.962264
"1375577"	271.134024	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H-2H2O"	-35.012676
"1389793"	289.144	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H-H2O"	-17.0027
"288385"	613.300676	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+H"	1.007276
"687369"	919.447376	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+H"	1.007276
"1358250"	307.153976	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H"	1.007276
"131139"	307.153976	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+2H"	2.014552
"579085"	460.227326	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+2H"	2.014552
"1050438"	154.080626	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2H"	2.014552
"216150"	205.105076	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+3H"	3.021828
"654617"	307.153976	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+3H"	3.021828
"1170555"	103.056176	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+3H"	3.021828
"433824"	630.327223	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+NH4"	18.033823
"791906"	936.473923	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+NH4"	18.033823
"1686784"	324.180523	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+NH4"	18.033823
"339437"	315.6672495	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+H+NH4"	19.041099
"728577"	468.7405995	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+H+NH4"	19.041099
"1480573"	162.5938995	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H+NH4"	19.041099
"396335"	635.282618	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+Na"	22.989218
"756605"	941.429318	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+Na"	22.989218
"1605798"	329.135918	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Na"	22.989218
"321306"	318.144947	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+H+Na"	23.996494
"712636"	471.218297	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+H+Na"	23.996494
"1469737"	165.071597	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H+Na"	23.996494
"1059701"	110.38349	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2H+Na"	25.00377
"1265755"	339.180186	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+CH3OH+H"	33.033486
"385423"	651.256558	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+K"	38.963158
"747513"	957.403258	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+K"	38.963158
"1552851"	345.109858	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+K"	38.963158
"313307"	326.131917	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+H+K"	39.970434
"700259"	479.205267	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+H+K"	39.970434
"1459549"	173.058567	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H+K"	39.970434
"248152"	654.327226	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+ACN+H"	42.033826
"1224019"	348.180526	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+ACN+H"	42.033826
"1206931"	174.593901	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+ACN+2H"	43.041102
"200895"	657.26456	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+2Na-H"	44.97116
"637174"	963.41126	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+2Na-H"	44.97116
"1142866"	351.11786	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2Na-H"	44.97116
"177408"	329.135918	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+2Na"	45.978436
"623530"	482.209268	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+2Na"	45.978436
"1129222"	176.062568	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2Na"	45.978436
"1409466"	117.710804	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H+2Na"	46.985712
"1436114"	353.159446	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H+HCOOH"	47.012746
"225811"	334.16894	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+3H2O+2H"	56.04448
"1512779"	367.21149	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+IsoProp+H"	61.06479
"413558"	337.122888	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+Na+K"	61.952376
"776741"	490.196238	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+Na+K"	61.952376
"1674164"	184.049538	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Na+K"	61.952376
"259600"	676.309168	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+ACN+Na"	64.015768
"1229755"	370.162468	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+ACN+Na"	64.015768
"1716093"	370.185993	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+NH4+HCOOH"	64.039293
"1182176"	125.038118	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+3Na"	68.967654
"1651701"	375.141388	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Na+HCOOH"	68.994688
"158931"	689.21244	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+2K-H"	76.91904
"597764"	995.35914	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+2K-H"	76.91904
"1087379"	383.06574	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2K-H"	76.91904
"147476"	345.109858	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"2M+2K"	77.926316
"588131"	498.183208	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"3M+2K"	77.926316
"1073738"	192.036508	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2K"	77.926316
"1103666"	385.080292	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2K+H"	78.933592
"1337865"	385.167907	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+DMSO+H"	79.021207
"1008580"	389.207076	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2ACN+H"	83.060376
"1531081"	390.200708	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+IsoProp+Na+H"	84.054008
"997529"	195.107176	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+2ACN+2H"	84.067652
"1596408"	391.115328	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+K+HCOOH"	84.968628
"1418789"	421.146838	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+H+CF3COOH"	115.000138
"1149440"	215.620451	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+3ACN+2H"	125.094202
"1706285"	438.173385	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+NH4+CF3COOH"	132.026685
"1634317"	443.12878	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+Na+CF3COOH"	136.98208
"1572243"	459.10272	"C09603"	"Xanthumin"	"C17H22O5"	"306.1467"	"M+K+CF3COOH"	152.95602
"809051"	237.1365	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M"	0
"982582"	218.11811	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-H2O-H"	-19.01839
"71919"	157.083724	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M-3H"	-3.021828
"512574"	236.129224	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M-3H"	-3.021828
"889284"	78.038224	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-3H"	-3.021828
"8955"	236.129224	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M-2H"	-2.014552
"447421"	354.697474	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M-2H"	-2.014552
"824127"	117.560974	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-2H"	-2.014552
"86307"	473.265724	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M-H"	-1.007276
"524775"	710.402224	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M-H"	-1.007276
"903671"	236.129224	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-H"	-1.007276
"55856"	490.292271	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M-2H+NH4"	16.019271
"495417"	727.428771	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M-2H+NH4"	16.019271
"873217"	253.155771	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-2H+NH4"	16.019271
"36015"	495.247666	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M-2H+Na"	20.974666
"482871"	732.384166	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M-2H+Na"	20.974666
"861766"	258.111166	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-2H+Na"	20.974666
"1626925"	258.111166	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Na-2H"	20.974666
"98352"	254.117563	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M-H+Cl"	33.962126
"537547"	372.685813	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M-H+Cl"	33.962126
"931066"	135.549313	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-H+Cl"	33.962126
"279465"	509.242402	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+Cl"	34.969402
"662045"	746.378902	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+Cl"	34.969402
"1273724"	272.105902	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Cl"	34.969402
"16644"	511.221606	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M-2H+K"	36.948606
"456442"	748.358106	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M-2H+K"	36.948606
"837652"	274.085106	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-2H+K"	36.948606
"1561141"	274.085106	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+K-2H"	36.948606
"945743"	282.134694	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-H+HCOOH"	44.998194
"362865"	519.271201	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+HCOOH-H"	44.998201
"346217"	533.286851	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+Hac-H"	59.013851
"1497766"	296.150351	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Hac-H"	59.013851
"962028"	304.116651	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-H+NaCOOH"	66.980151
"113486"	272.105902	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+2Cl"	69.938804
"559243"	390.674152	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+2Cl"	69.938804
"1032418"	153.537652	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2Cl"	69.938804
"1245435"	316.055385	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Br"	78.918885
"1312259"	318.111372	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Cl+HCOOH"	80.974872
"1329759"	340.093329	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Cl+NaCOOH"	102.956829
"919722"	350.122086	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M-H+CF3COOH"	112.985586
"1296432"	386.098764	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Cl+CF3COOH"	148.962264
"1375687"	202.123824	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H-2H2O"	-35.012676
"1388810"	220.1338	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H-H2O"	-17.0027
"287402"	475.280276	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+H"	1.007276
"687479"	712.416776	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+H"	1.007276
"1357267"	238.143776	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H"	1.007276
"129063"	238.143776	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+2H"	2.014552
"576279"	356.712026	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+2H"	2.014552
"1050552"	119.575526	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2H"	2.014552
"212980"	159.098276	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+3H"	3.021828
"651447"	238.143776	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+3H"	3.021828
"1169572"	80.052776	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+3H"	3.021828
"433934"	492.306823	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+NH4"	18.033823
"792016"	729.443323	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+NH4"	18.033823
"1685800"	255.170323	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+NH4"	18.033823
"333349"	246.6570495	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+H+NH4"	19.041099
"728687"	365.2252995	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+H+NH4"	19.041099
"1481413"	128.0887995	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H+NH4"	19.041099
"399358"	497.262218	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+Na"	22.989218
"755622"	734.398718	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+Na"	22.989218
"1605908"	260.125718	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Na"	22.989218
"320324"	249.134747	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+H+Na"	23.996494
"714933"	367.702997	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+H+Na"	23.996494
"1469847"	130.566497	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H+Na"	23.996494
"1058718"	87.38009	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2H+Na"	25.00377
"1265865"	270.169986	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+CH3OH+H"	33.033486
"384440"	513.236158	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+K"	38.963158
"747623"	750.372658	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+K"	38.963158
"1550776"	276.099658	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+K"	38.963158
"311231"	257.121717	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+H+K"	39.970434
"699276"	375.689967	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+H+K"	39.970434
"1456380"	138.553467	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H+K"	39.970434
"248262"	516.306826	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+ACN+H"	42.033826
"1222429"	279.170326	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+ACN+H"	42.033826
"1205948"	140.088801	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+ACN+2H"	43.041102
"202586"	519.24416	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+2Na-H"	44.97116
"639471"	756.38066	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+2Na-H"	44.97116
"1141883"	282.10766	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2Na-H"	44.97116
"178611"	260.125718	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+2Na"	45.978436
"620360"	378.693968	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+2Na"	45.978436
"1126052"	141.557468	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2Na"	45.978436
"1406296"	94.707404	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H+2Na"	46.985712
"1436224"	284.149246	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H+HCOOH"	47.012746
"221912"	265.15874	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+3H2O+2H"	56.04448
"1512160"	298.20129	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+IsoProp+H"	61.06479
"411117"	268.112688	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+Na+K"	61.952376
"774663"	386.680938	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+Na+K"	61.952376
"1674274"	149.544438	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Na+K"	61.952376
"251531"	538.288768	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+ACN+Na"	64.015768
"1228771"	301.152268	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+ACN+Na"	64.015768
"1717295"	301.175793	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+NH4+HCOOH"	64.039293
"1179730"	102.034718	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+3Na"	68.967654
"1651446"	306.131188	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Na+HCOOH"	68.994688
"157943"	551.19204	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+2K-H"	76.91904
"597874"	788.32854	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+2K-H"	76.91904
"1086395"	314.05554	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2K-H"	76.91904
"144306"	276.099658	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"2M+2K"	77.926316
"583867"	394.667908	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"3M+2K"	77.926316
"1073118"	157.531408	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2K"	77.926316
"1102681"	316.070092	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2K+H"	78.933592
"1337975"	316.157707	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+DMSO+H"	79.021207
"1010877"	320.196876	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2ACN+H"	83.060376
"1527911"	321.190508	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+IsoProp+Na+H"	84.054008
"994358"	160.602076	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+2ACN+2H"	84.067652
"1592144"	322.105128	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+K+HCOOH"	84.968628
"1416347"	352.136638	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+H+CF3COOH"	115.000138
"1149185"	181.115351	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+3ACN+2H"	125.094202
"1706395"	369.163185	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+NH4+CF3COOH"	132.026685
"1634752"	374.11858	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+Na+CF3COOH"	136.98208
"1572232"	390.09252	"C09604"	"(-)-Pellotine;Pellotine"	"C13H19NO3"	"237.1365"	"M+K+CF3COOH"	152.95602
"816089"	246.1256	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M"	0
"980507"	227.10721	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"75310"	163.076457333333	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"514874"	245.118324	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"893770"	81.0345906666667	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"12346"	245.118324	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"454825"	368.181124	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"831776"	122.055524	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"89698"	491.243924	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"528165"	737.369524	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"908154"	245.118324	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"57061"	508.270471	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"495528"	754.396071	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"872234"	262.144871	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"39041"	513.225866	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"485293"	759.351466	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"862605"	267.100266	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1628128"	267.100266	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"101378"	263.106663	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"536197"	386.169463	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"929714"	140.043863	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"277388"	527.220602	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"669810"	773.346202	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1273833"	281.095002	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"17121"	529.199806	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"456313"	775.325406	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"834482"	283.074206	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1560157"	283.074206	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"945853"	291.123794	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"369536"	537.249401	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"351231"	551.265051	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1502251"	305.139451	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"968700"	313.105751	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"120886"	281.095002	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"557166"	404.157802	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1034714"	158.032202	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1244452"	325.044485	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1307997"	327.100472	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1327682"	349.082429	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"916552"	359.111186	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1296542"	395.087864	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1373610"	211.112924	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1392200"	229.1229	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"296261"	493.258476	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"687589"	739.384076	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1360658"	247.132876	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"132454"	247.132876	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"573108"	370.195676	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1048470"	124.070076	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"212724"	165.091009333333	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"652649"	247.132876	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1172961"	83.0491426666667	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"432950"	510.285023	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"795040"	756.410623	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1689551"	264.159423	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"337466"	255.6461495	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"728792"	378.7089495	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1480424"	132.5833495	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"396915"	515.240418	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"756094"	761.366018	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1604556"	269.114818	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"319338"	258.123847	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"715043"	381.186647	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1471050"	135.061047	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1057735"	90.3764566666667	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1265975"	279.159086	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"385643"	531.214358	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"748830"	777.339958	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1549793"	285.088758	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"308063"	266.110817	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"702305"	389.173617	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1456855"	143.048017	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"247644"	534.285026	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1221081"	288.159426	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1202778"	144.583351	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"200022"	537.22236	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"633021"	783.34796	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1138713"	291.09676	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"176171"	269.114818	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"620470"	392.177618	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1119602"	146.052018	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1402759"	97.7037706666667	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1435242"	293.138346	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"224938"	274.14784	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1512635"	307.19039	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"410862"	277.101788	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"772951"	400.164588	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1668554"	154.038988	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"251914"	556.266968	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1230339"	310.141368	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1717042"	310.164893	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1183853"	105.031084666667	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1653016"	315.120288	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"159148"	569.17024	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"606368"	815.29584	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1087599"	323.04464	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"145510"	285.088758	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"590539"	408.151558	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1072864"	162.025958	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1104978"	325.059192	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1340271"	325.146807	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1015361"	329.185976	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1528021"	330.179608	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"992281"	165.096626	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1591159"	331.094228	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1417915"	361.125738	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1150391"	185.609901	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1701036"	378.152285	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1635596"	383.10768	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1576717"	399.08162	"C09605"	"Xerantholide"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"802832"	246.1256	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M"	0
"977336"	227.10721	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"71046"	163.076457333333	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"508420"	245.118324	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"890600"	81.0345906666667	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"15009"	245.118324	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"455559"	368.181124	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"832330"	122.055524	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"87622"	491.243924	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"529368"	737.369524	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"902795"	245.118324	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"56440"	508.270471	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"497824"	754.396071	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"872345"	262.144871	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"39151"	513.225866	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"483090"	759.351466	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"858704"	267.100266	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1625322"	267.100266	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"96383"	263.106663	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"536308"	386.169463	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"929460"	140.043863	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"277498"	527.220602	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"672107"	773.346202	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1273335"	281.095002	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"16743"	529.199806	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"457883"	775.325406	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"835685"	283.074206	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1560268"	283.074206	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"947057"	291.123794	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"364179"	537.249401	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"346478"	551.265051	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1500172"	305.139451	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"965529"	313.105751	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"119903"	281.095002	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"557275"	404.157802	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1029356"	158.032202	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1245654"	325.044485	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1309200"	327.100472	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1325604"	349.082429	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"916662"	359.111186	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1296652"	395.087864	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1373720"	211.112924	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1386842"	229.1229	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"289809"	493.258476	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"683325"	739.384076	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1353110"	247.132876	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"127457"	247.132876	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"572125"	370.195676	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1048580"	124.070076	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"210648"	165.091009333333	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"653851"	247.132876	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1170882"	83.0491426666667	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"433060"	510.285023	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"795150"	756.410623	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1689297"	264.159423	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"338668"	255.6461495	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"726714"	378.7089495	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1479804"	132.5833495	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"396297"	515.240418	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"755469"	761.366018	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1604664"	269.114818	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"314738"	258.123847	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"709672"	381.186647	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1463499"	135.061047	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1057844"	90.3764566666667	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1263896"	279.159086	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"381377"	531.214358	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"751491"	777.339958	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1553911"	285.088758	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"309266"	266.110817	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"702778"	389.173617	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1456600"	143.048017	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"246294"	534.285026	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1222284"	288.159426	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1203981"	144.583351	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"201225"	537.22236	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"639692"	783.34796	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1138824"	291.09676	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"176645"	269.114818	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"620580"	392.177618	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1120439"	146.052018	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1403236"	97.7037706666667	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1433526"	293.138346	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"223225"	274.14784	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1513475"	307.19039	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"410973"	277.101788	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"775977"	400.164588	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1670486"	154.038988	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"251943"	556.266968	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1230084"	310.141368	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1716787"	310.164893	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1182503"	105.031084666667	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1652762"	315.120288	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"161449"	569.17024	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"605385"	815.29584	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1085522"	323.04464	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"146713"	285.088758	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"589556"	408.151558	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1072974"	162.025958	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1107275"	325.059192	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1340382"	325.146807	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1012191"	329.185976	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1528131"	330.179608	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"994577"	165.096626	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1591269"	331.094228	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1416201"	361.125738	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1151591"	185.609901	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1698230"	378.152285	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1634733"	383.10768	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1576827"	399.08162	"C09606"	"Zaluzanin C"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"810476"	364.1522	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M"	0
"978539"	345.13381	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-H2O-H"	-19.01839
"70064"	241.760857333333	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M-3H"	-3.021828
"513998"	363.144924	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M-3H"	-3.021828
"894841"	120.376790666667	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-3H"	-3.021828
"15325"	363.144924	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M-2H"	-2.014552
"455611"	545.221024	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M-2H"	-2.014552
"829563"	181.068824	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-2H"	-2.014552
"94200"	727.297124	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M-H"	-1.007276
"529479"	1091.449324	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M-H"	-1.007276
"910322"	363.144924	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-H"	-1.007276
"61291"	744.323671	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M-2H+NH4"	16.019271
"500121"	1108.475871	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M-2H+NH4"	16.019271
"877922"	380.171471	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-2H+NH4"	16.019271
"39261"	749.279066	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M-2H+Na"	20.974666
"479916"	1113.431266	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M-2H+Na"	20.974666
"862093"	385.126866	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-2H+Na"	20.974666
"1628347"	385.126866	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Na-2H"	20.974666
"100502"	381.133263	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M-H+Cl"	33.962126
"540067"	563.209363	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M-H+Cl"	33.962126
"932489"	199.057163	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-H+Cl"	33.962126
"281137"	763.273802	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+Cl"	34.969402
"672217"	1127.426002	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+Cl"	34.969402
"1280254"	399.121602	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Cl"	34.969402
"21716"	765.253006	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M-2H+K"	36.948606
"463461"	1129.405206	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M-2H+K"	36.948606
"840170"	401.100806	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-2H+K"	36.948606
"1568032"	401.100806	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+K-2H"	36.948606
"950448"	409.150394	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-H+HCOOH"	44.998194
"366477"	773.302601	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+HCOOH-H"	44.998201
"354731"	787.318251	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+Hac-H"	59.013851
"1503198"	423.166051	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Hac-H"	59.013851
"964545"	431.132351	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-H+NaCOOH"	66.980151
"121106"	399.121602	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+2Cl"	69.938804
"558478"	581.197702	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+2Cl"	69.938804
"1036395"	217.045502	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2Cl"	69.938804
"1247952"	443.071085	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Br"	78.918885
"1310402"	445.127072	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Cl+HCOOH"	80.974872
"1331182"	467.109029	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Cl+NaCOOH"	102.956829
"916772"	477.137786	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M-H+CF3COOH"	112.985586
"1297855"	513.114464	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Cl+CF3COOH"	148.962264
"1377111"	329.139524	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H-2H2O"	-35.012676
"1393513"	347.1495	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H-H2O"	-17.0027
"289919"	729.311676	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+H"	1.007276
"688538"	1093.463876	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+H"	1.007276
"1359783"	365.159476	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H"	1.007276
"133766"	365.159476	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+2H"	2.014552
"572235"	547.235576	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+2H"	2.014552
"1048690"	183.083376	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2H"	2.014552
"210395"	243.775409333333	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+3H"	3.021828
"651777"	365.159476	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+3H"	3.021828
"1173181"	122.391342666667	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+3H"	3.021828
"436451"	746.338223	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+NH4"	18.033823
"793073"	1110.490423	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+NH4"	18.033823
"1688315"	382.186023	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+NH4"	18.033823
"337686"	373.6727495	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+H+NH4"	19.041099
"727920"	555.7488495	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+H+NH4"	19.041099
"1481009"	191.5966495	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H+NH4"	19.041099
"396406"	751.293618	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+Na"	22.989218
"755948"	1115.445818	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+Na"	22.989218
"1604291"	387.141418	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Na"	22.989218
"316271"	376.150447	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+H+Na"	23.996494
"710146"	558.226547	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+H+Na"	23.996494
"1463609"	194.074347	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H+Na"	23.996494
"1060143"	129.718656666667	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2H+Na"	25.00377
"1264006"	397.185686	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+CH3OH+H"	33.033486
"381487"	767.267558	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+K"	38.963158
"750873"	1131.419758	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+K"	38.963158
"1551101"	403.115358	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+K"	38.963158
"307184"	384.137417	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+H+K"	39.970434
"702885"	566.213517	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+H+K"	39.970434
"1453426"	202.061317	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H+K"	39.970434
"240936"	770.338226	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+ACN+H"	42.033826
"1212915"	406.186026	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+ACN+H"	42.033826
"1206276"	203.596651	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+ACN+2H"	43.041102
"195867"	773.27556	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+2Na-H"	44.97116
"633241"	1137.42776	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+2Na-H"	44.97116
"1134922"	409.12336	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2Na-H"	44.97116
"176755"	387.141418	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+2Na"	45.978436
"619596"	569.217518	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+2Na"	45.978436
"1117996"	205.065318	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2Na"	45.978436
"1402614"	137.045970666667	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H+2Na"	46.985712
"1433273"	411.164946	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H+HCOOH"	47.012746
"222240"	392.17444	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+3H2O+2H"	56.04448
"1516501"	425.21699	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+IsoProp+H"	61.06479
"419467"	395.128388	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+Na+K"	61.952376
"777181"	577.204488	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+Na+K"	61.952376
"1669502"	213.052288	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Na+K"	61.952376
"252254"	792.320168	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+ACN+Na"	64.015768
"1229828"	428.167968	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+ACN+Na"	64.015768
"1718355"	428.191493	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+NH4+HCOOH"	64.039293
"1182614"	144.373284666667	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+3Na"	68.967654
"1654696"	433.146888	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Na+HCOOH"	68.994688
"160465"	805.22344	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+2K-H"	76.91904
"601119"	1169.37564	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+2K-H"	76.91904
"1090006"	441.07124	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2K-H"	76.91904
"143540"	403.115358	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"2M+2K"	77.926316
"585291"	585.191458	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"3M+2K"	77.926316
"1073083"	221.039258	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2K"	77.926316
"1107387"	443.085792	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2K+H"	78.933592
"1337209"	443.173407	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+DMSO+H"	79.021207
"1012299"	447.212576	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2ACN+H"	83.060376
"1529332"	448.206208	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+IsoProp+Na+H"	84.054008
"1000156"	224.109926	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+2ACN+2H"	84.067652
"1592472"	449.120828	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+K+HCOOH"	84.968628
"1416312"	479.152338	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+H+CF3COOH"	115.000138
"1152798"	244.623201	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+3ACN+2H"	125.094202
"1699069"	496.178885	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+NH4+CF3COOH"	132.026685
"1634722"	501.13428	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+Na+CF3COOH"	136.98208
"1572926"	517.10822	"C09607"	"Zexbrevin B"	"C19H24O7"	"364.1522"	"M+K+CF3COOH"	152.95602
"803295"	632.2886	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M"	0
"983022"	613.27021	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-H2O-H"	-19.01839
"73452"	420.518457333333	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M-3H"	-3.021828
"511920"	631.281324	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M-3H"	-3.021828
"891913"	209.755590666667	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-3H"	-3.021828
"13768"	631.281324	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M-2H"	-2.014552
"454423"	947.425624	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M-2H"	-2.014552
"832110"	315.137024	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-2H"	-2.014552
"92217"	1263.569924	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M-H"	-1.007276
"527400"	1895.858524	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M-H"	-1.007276
"909212"	631.281324	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-H"	-1.007276
"58483"	1280.596471	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M-2H+NH4"	16.019271
"499135"	1912.885071	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M-2H+NH4"	16.019271
"872564"	648.307871	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-2H+NH4"	16.019271
"33051"	1285.551866	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M-2H+Na"	20.974666
"480025"	1917.840466	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M-2H+Na"	20.974666
"857827"	653.263266	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-2H+Na"	20.974666
"1627361"	653.263266	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Na-2H"	20.974666
"98789"	649.269663	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M-H+Cl"	33.962126
"541270"	965.413963	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M-H+Cl"	33.962126
"932599"	333.125363	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-H+Cl"	33.962126
"282096"	1299.546602	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+Cl"	34.969402
"675600"	1931.835202	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+Cl"	34.969402
"1282550"	667.258002	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Cl"	34.969402
"22919"	1301.525806	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M-2H+K"	36.948606
"461384"	1933.814406	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M-2H+K"	36.948606
"840279"	669.237206	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-2H+K"	36.948606
"1565955"	669.237206	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+K-2H"	36.948606
"952743"	677.286794	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-H+HCOOH"	44.998194
"369865"	1309.575401	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+HCOOH-H"	44.998201
"354841"	1323.591051	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+Hac-H"	59.013851
"1503672"	691.302451	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Hac-H"	59.013851
"965749"	699.268751	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-H+NaCOOH"	66.980151
"122309"	667.258002	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+2Cl"	69.938804
"556401"	983.402302	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+2Cl"	69.938804
"1031761"	351.113702	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2Cl"	69.938804
"1248060"	711.207485	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Br"	78.918885
"1314887"	713.263472	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Cl+HCOOH"	80.974872
"1331292"	735.245429	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Cl+NaCOOH"	102.956829
"916882"	745.274186	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M-H+CF3COOH"	112.985586
"1299059"	781.250864	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Cl+CF3COOH"	148.962264
"1376128"	597.275924	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H-2H2O"	-35.012676
"1391437"	615.2859	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H-H2O"	-17.0027
"288936"	1265.584476	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+H"	1.007276
"689012"	1897.873076	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+H"	1.007276
"1360986"	633.295876	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H"	1.007276
"137158"	633.295876	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+2H"	2.014552
"572345"	949.440176	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+2H"	2.014552
"1043333"	317.151576	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2H"	2.014552
"209411"	422.533009333333	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+3H"	3.021828
"650794"	633.295876	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+3H"	3.021828
"1173292"	211.770142666667	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+3H"	3.021828
"433282"	1282.611023	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+NH4"	18.033823
"792090"	1914.899623	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+NH4"	18.033823
"1686603"	650.322423	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+NH4"	18.033823
"335610"	641.8091495	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+H+NH4"	19.041099
"729124"	957.9534495	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+H+NH4"	19.041099
"1479662"	325.6648495	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H+NH4"	19.041099
"395300"	1287.566418	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+Na"	22.989218
"755329"	1919.855018	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+Na"	22.989218
"1603100"	655.277818	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Na"	22.989218
"315165"	644.286847	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+H+Na"	23.996494
"709160"	960.431147	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+H+Na"	23.996494
"1462990"	328.142547	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H+Na"	23.996494
"1058067"	219.097456666667	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2H+Na"	25.00377
"1263023"	665.322086	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+CH3OH+H"	33.033486
"381597"	1303.540358	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+K"	38.963158
"750252"	1935.828958	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+K"	38.963158
"1550118"	671.251758	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+K"	38.963158
"308387"	652.273817	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+H+K"	39.970434
"696435"	968.418117	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+H+K"	39.970434
"1453536"	336.129517	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H+K"	39.970434
"239221"	1306.611026	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+ACN+H"	42.033826
"1213389"	674.322426	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+ACN+H"	42.033826
"1206386"	337.664851	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+ACN+2H"	43.041102
"193789"	1309.54836	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+2Na-H"	44.97116
"632256"	1941.83696	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+2Na-H"	44.97116
"1136854"	677.25976	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2Na-H"	44.97116
"176863"	655.277818	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+2Na"	45.978436
"621527"	971.422118	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+2Na"	45.978436
"1118835"	339.133518	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2Na"	45.978436
"1404548"	226.424770666667	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H+2Na"	46.985712
"1433383"	679.301346	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H+HCOOH"	47.012746
"224538"	660.31084	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+3H2O+2H"	56.04448
"1515518"	693.35339	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+IsoProp+H"	61.06479
"418484"	663.264788	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+Na+K"	61.952376
"773282"	979.409088	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+Na+K"	61.952376
"1671435"	347.120488	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Na+K"	61.952376
"252245"	1328.592968	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+ACN+Na"	64.015768
"1229209"	696.304368	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+ACN+Na"	64.015768
"1720652"	696.327893	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+NH4+HCOOH"	64.039293
"1181996"	233.752084666667	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+3Na"	68.967654
"1653713"	701.283288	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Na+HCOOH"	68.994688
"160575"	1341.49624	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+2K-H"	76.91904
"604509"	1973.78484	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+2K-H"	76.91904
"1092303"	709.20764	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2K-H"	76.91904
"143650"	671.251758	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"2M+2K"	77.926316
"585401"	987.396058	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"3M+2K"	77.926316
"1073193"	355.107458	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2K"	77.926316
"1107497"	711.222192	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2K+H"	78.933592
"1340599"	711.309807	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+DMSO+H"	79.021207
"1010224"	715.348976	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2ACN+H"	83.060376
"1528349"	716.342608	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+IsoProp+Na+H"	84.054008
"993704"	358.178126	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+2ACN+2H"	84.067652
"1590393"	717.257228	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+K+HCOOH"	84.968628
"1421525"	747.288738	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+H+CF3COOH"	115.000138
"1149628"	378.691401	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+3ACN+2H"	125.094202
"1698086"	764.315285	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+NH4+CF3COOH"	132.026685
"1634832"	769.27068	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+Na+CF3COOH"	136.98208
"1573766"	785.24462	"C09608"	"Phaeantharine"	"C39H40N2O6"	"632.2886"	"M+K+CF3COOH"	152.95602
"803405"	743.4873	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M"	0
"983133"	724.46891	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-H2O-H"	-19.01839
"71376"	494.650924	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M-3H"	-3.021828
"509843"	742.480024	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M-3H"	-3.021828
"894211"	246.821824	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-3H"	-3.021828
"13878"	742.480024	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M-2H"	-2.014552
"451252"	1114.223674	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M-2H"	-2.014552
"831240"	370.736374	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-2H"	-2.014552
"87950"	1485.967324	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M-H"	-1.007276
"530791"	2229.454624	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M-H"	-1.007276
"905311"	742.480024	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-H"	-1.007276
"54219"	1502.993871	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M-2H+NH4"	16.019271
"489404"	2246.481171	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M-2H+NH4"	16.019271
"873768"	759.506571	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-2H+NH4"	16.019271
"39480"	1507.949266	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M-2H+Na"	20.974666
"479042"	2251.436566	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M-2H+Na"	20.974666
"854657"	764.461966	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-2H+Na"	20.974666
"1623098"	764.461966	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Na-2H"	20.974666
"99627"	760.468363	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M-H+Cl"	33.962126
"539194"	1132.212013	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M-H+Cl"	33.962126
"932709"	388.724713	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-H+Cl"	33.962126
"281719"	1521.944002	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+Cl"	34.969402
"675443"	2265.431302	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+Cl"	34.969402
"1279376"	778.456702	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Cl"	34.969402
"23028"	1523.923206	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M-2H+K"	36.948606
"462587"	2267.410506	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M-2H+K"	36.948606
"840389"	780.435906	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-2H+K"	36.948606
"1566065"	780.435906	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+K-2H"	36.948606
"952853"	788.485494	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-H+HCOOH"	44.998194
"376746"	1531.972801	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+HCOOH-H"	44.998201
"357139"	1545.988451	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+Hac-H"	59.013851
"1504877"	802.501151	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Hac-H"	59.013851
"965860"	810.467451	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-H+NaCOOH"	66.980151
"118048"	778.456702	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+2Cl"	69.938804
"559793"	1150.200352	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+2Cl"	69.938804
"1029687"	406.713052	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2Cl"	69.938804
"1248170"	822.406185	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Br"	78.918885
"1307342"	824.462172	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Cl+HCOOH"	80.974872
"1328121"	846.444129	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Cl+NaCOOH"	102.956829
"913710"	856.472886	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M-H+CF3COOH"	112.985586
"1294794"	892.449564	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Cl+CF3COOH"	148.962264
"1376238"	708.474624	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H-2H2O"	-35.012676
"1392640"	726.4846	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H-H2O"	-17.0027
"289046"	1487.981876	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+H"	1.007276
"688029"	2231.469176	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+H"	1.007276
"1361096"	744.494576	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H"	1.007276
"136175"	744.494576	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+2H"	2.014552
"569539"	1116.238226	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+2H"	2.014552
"1043443"	372.750926	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2H"	2.014552
"209157"	496.665476	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+3H"	3.021828
"651997"	744.494576	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+3H"	3.021828
"1169029"	248.836376	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+3H"	3.021828
"430111"	1505.008423	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+NH4"	18.033823
"791107"	2248.495723	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+NH4"	18.033823
"1685619"	761.521123	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+NH4"	18.033823
"333896"	753.0078495	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+H+NH4"	19.041099
"724861"	1124.7514995	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+H+NH4"	19.041099
"1477585"	381.2641995	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H+NH4"	19.041099
"393064"	1509.963818	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+Na"	22.989218
"754827"	2253.451118	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+Na"	22.989218
"1602883"	766.476518	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Na"	22.989218
"314388"	755.485547	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+H+Na"	23.996494
"708174"	1127.229197	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+H+Na"	23.996494
"1463829"	383.741897	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H+Na"	23.996494
"1059270"	256.16369	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2H+Na"	25.00377
"1264226"	776.520786	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+CH3OH+H"	33.033486
"381707"	1525.937758	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+K"	38.963158
"749267"	2269.425058	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+K"	38.963158
"1549133"	782.450458	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+K"	38.963158
"309590"	763.472517	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+H+K"	39.970434
"697637"	1135.216167	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+H+K"	39.970434
"1452551"	391.728867	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H+K"	39.970434
"240424"	1529.008426	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+ACN+H"	42.033826
"1213499"	785.521126	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+ACN+H"	42.033826
"1203215"	393.264201	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+ACN+2H"	43.041102
"194263"	1531.94576	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+2Na-H"	44.97116
"633825"	2275.43306	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+2Na-H"	44.97116
"1136964"	788.45846	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2Na-H"	44.97116
"176609"	766.476518	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+2Na"	45.978436
"621273"	1138.220168	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+2Na"	45.978436
"1119310"	394.732868	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2Na"	45.978436
"1403201"	263.491004	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H+2Na"	46.985712
"1434586"	790.500046	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H+HCOOH"	47.012746
"223555"	771.50954	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+3H2O+2H"	56.04448
"1515628"	804.55209	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+IsoProp+H"	61.06479
"412398"	774.463488	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+Na+K"	61.952376
"775579"	1146.207138	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+Na+K"	61.952376
"1669356"	402.719838	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Na+K"	61.952376
"251527"	1550.990368	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+ACN+Na"	64.015768
"1227133"	807.503068	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+ACN+Na"	64.015768
"1720762"	807.526593	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+NH4+HCOOH"	64.039293
"1182835"	270.818318	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+3Na"	68.967654
"1652000"	812.481988	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Na+HCOOH"	68.994688
"161776"	1563.89364	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+2K-H"	76.91904
"604619"	2307.38094	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+2K-H"	76.91904
"1091320"	820.40634	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2K-H"	76.91904
"143763"	782.450458	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"2M+2K"	77.926316
"587698"	1154.194108	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"3M+2K"	77.926316
"1073305"	410.706808	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2K"	77.926316
"1108701"	822.420892	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2K+H"	78.933592
"1341804"	822.508507	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+DMSO+H"	79.021207
"1009606"	826.547676	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2ACN+H"	83.060376
"1529552"	827.541308	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+IsoProp+Na+H"	84.054008
"993814"	413.777476	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+2ACN+2H"	84.067652
"1589046"	828.455928	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+K+HCOOH"	84.968628
"1416652"	858.487438	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+H+CF3COOH"	115.000138
"1149008"	434.290751	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+3ACN+2H"	125.094202
"1699289"	875.513985	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+NH4+CF3COOH"	132.026685
"1634535"	880.46938	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+Na+CF3COOH"	136.98208
"1571684"	896.44332	"C09609"	"Pilocereine"	"C45H65N3O6"	"743.4873"	"M+K+CF3COOH"	152.95602
"803151"	385.1525	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M"	0
"984336"	366.13411	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-H2O-H"	-19.01839
"70394"	255.761057333333	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M-3H"	-3.021828
"515422"	384.145224	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M-3H"	-3.021828
"891770"	127.376890666667	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-3H"	-3.021828
"12775"	384.145224	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M-2H"	-2.014552
"454888"	576.721474	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M-2H"	-2.014552
"832205"	191.568974	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-2H"	-2.014552
"92073"	769.297724	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M-H"	-1.007276
"526531"	1154.450224	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M-H"	-1.007276
"902507"	384.145224	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-H"	-1.007276
"57612"	786.324271	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M-2H+NH4"	16.019271
"494982"	1171.476771	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M-2H+NH4"	16.019271
"874972"	401.171771	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-2H+NH4"	16.019271
"40686"	791.279666	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M-2H+Na"	20.974666
"474776"	1176.432166	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M-2H+Na"	20.974666
"854766"	406.127166	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-2H+Na"	20.974666
"1621381"	406.127166	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Na-2H"	20.974666
"98644"	402.133563	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M-H+Cl"	33.962126
"538212"	594.709813	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M-H+Cl"	33.962126
"933912"	209.557313	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-H+Cl"	33.962126
"280736"	805.274402	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+Cl"	34.969402
"673765"	1190.426902	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+Cl"	34.969402
"1277300"	420.121902	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Cl"	34.969402
"20949"	807.253606	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M-2H+K"	36.948606
"462697"	1192.406106	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M-2H+K"	36.948606
"838312"	422.101106	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-2H+K"	36.948606
"1560706"	422.101106	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+K-2H"	36.948606
"951870"	430.150694	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-H+HCOOH"	44.998194
"373368"	815.303201	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+HCOOH-H"	44.998201
"356156"	829.318851	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+Hac-H"	59.013851
"1503894"	444.166351	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Hac-H"	59.013851
"964877"	452.132651	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-H+NaCOOH"	66.980151
"115972"	420.121902	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+2Cl"	69.938804
"558812"	612.698152	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+2Cl"	69.938804
"1027612"	227.545652	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2Cl"	69.938804
"1248282"	464.071385	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Br"	78.918885
"1304251"	466.127372	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Cl+HCOOH"	80.974872
"1328231"	488.109329	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Cl+NaCOOH"	102.956829
"917102"	498.138086	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M-H+CF3COOH"	112.985586
"1294904"	534.114764	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Cl+CF3COOH"	148.962264
"1374160"	350.139824	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H-2H2O"	-35.012676
"1390563"	368.1498	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H-H2O"	-17.0027
"294624"	771.312276	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+H"	1.007276
"690332"	1156.464776	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+H"	1.007276
"1361207"	386.159776	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H"	1.007276
"136285"	386.159776	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+2H"	2.014552
"569285"	578.736026	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+2H"	2.014552
"1042460"	193.583526	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2H"	2.014552
"209267"	257.775609333333	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+3H"	3.021828
"651014"	386.159776	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+3H"	3.021828
"1168046"	129.391442666667	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+3H"	3.021828
"428035"	788.338823	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+NH4"	18.033823
"787938"	1173.491323	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+NH4"	18.033823
"1684272"	403.186323	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+NH4"	18.033823
"331455"	394.6730495	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+H+NH4"	19.041099
"723998"	587.2492995	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+H+NH4"	19.041099
"1479152"	202.0967995	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H+NH4"	19.041099
"394911"	793.294218	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+Na"	22.989218
"755544"	1178.446718	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+Na"	22.989218
"1603079"	408.141718	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Na"	22.989218
"315985"	397.150747	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+H+Na"	23.996494
"709009"	589.726997	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+H+Na"	23.996494
"1462347"	204.574497	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H+Na"	23.996494
"1056094"	136.718756666667	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2H+Na"	25.00377
"1259959"	418.185986	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+CH3OH+H"	33.033486
"380724"	809.268158	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+K"	38.963158
"745001"	1194.420658	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+K"	38.963158
"1547058"	424.115658	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+K"	38.963158
"307513"	405.137717	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+H+K"	39.970434
"697747"	597.713967	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+H+K"	39.970434
"1454848"	212.561467	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H+K"	39.970434
"241627"	812.338826	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+ACN+H"	42.033826
"1214701"	427.186326	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+ACN+H"	42.033826
"1205512"	214.096801	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+ACN+2H"	43.041102
"191457"	815.27616	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+2Na-H"	44.97116
"633567"	1200.42866	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+2Na-H"	44.97116
"1136346"	430.12366	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2Na-H"	44.97116
"176354"	408.141718	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+2Na"	45.978436
"618102"	600.717968	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+2Na"	45.978436
"1118327"	215.565468	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2Na"	45.978436
"1402948"	144.046070666667	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H+2Na"	46.985712
"1434332"	432.165246	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H+HCOOH"	47.012746
"223665"	413.17474	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+3H2O+2H"	56.04448
"1515738"	446.21729	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+IsoProp+H"	61.06479
"413601"	416.128688	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+Na+K"	61.952376
"775689"	608.704938	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+Na+K"	61.952376
"1668373"	223.552438	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Na+K"	61.952376
"251646"	834.320768	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+ACN+Na"	64.015768
"1234173"	449.168268	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+ACN+Na"	64.015768
"1713943"	449.191793	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+NH4+HCOOH"	64.039293
"1185135"	151.373384666667	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+3Na"	68.967654
"1653933"	454.147188	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Na+HCOOH"	68.994688
"162981"	847.22404	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+2K-H"	76.91904
"603637"	1232.37654	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+2K-H"	76.91904
"1092525"	462.07154	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2K-H"	76.91904
"154810"	424.115658	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"2M+2K"	77.926316
"594980"	616.691908	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"3M+2K"	77.926316
"1078884"	231.539408	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2K"	77.926316
"1106626"	464.086092	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2K+H"	78.933592
"1346289"	464.173707	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+DMSO+H"	79.021207
"1021101"	468.212876	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2ACN+H"	83.060376
"1534038"	469.206508	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+IsoProp+Na+H"	84.054008
"1004498"	234.610076	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+2ACN+2H"	84.067652
"1602680"	470.121128	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+K+HCOOH"	84.968628
"1417735"	500.152638	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+H+CF3COOH"	115.000138
"1152033"	255.123351	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+3ACN+2H"	125.094202
"1707054"	517.179185	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+NH4+CF3COOH"	132.026685
"1634929"	522.13458	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+Na+CF3COOH"	136.98208
"1571551"	538.10852	"C09610"	"Polycarpine"	"C21H23NO6"	"385.1525"	"M+K+CF3COOH"	152.95602
"803261"	311.1521	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M"	0
"982259"	292.13371	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-H2O-H"	-19.01839
"72689"	206.427457333333	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M-3H"	-3.021828
"510064"	310.144824	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M-3H"	-3.021828
"888962"	102.710090666667	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-3H"	-3.021828
"11913"	310.144824	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M-2H"	-2.014552
"451473"	465.720874	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M-2H"	-2.014552
"829274"	154.568774	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-2H"	-2.014552
"88172"	621.296924	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M-H"	-1.007276
"527733"	932.449024	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M-H"	-1.007276
"905535"	310.144824	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-H"	-1.007276
"55535"	638.323471	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M-2H+NH4"	16.019271
"492906"	949.475571	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M-2H+NH4"	16.019271
"871802"	327.171371	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-2H+NH4"	16.019271
"39701"	643.278866	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M-2H+Na"	20.974666
"479262"	954.430966	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M-2H+Na"	20.974666
"857064"	332.126766	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-2H+Na"	20.974666
"1621856"	332.126766	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Na-2H"	20.974666
"96198"	328.133163	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M-H+Cl"	33.962126
"538322"	483.709213	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M-H+Cl"	33.962126
"934022"	172.557113	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-H+Cl"	33.962126
"281089"	657.273602	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+Cl"	34.969402
"674482"	968.425702	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+Cl"	34.969402
"1282874"	346.121502	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Cl"	34.969402
"26526"	659.252806	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M-2H+K"	36.948606
"462807"	970.404906	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M-2H+K"	36.948606
"837329"	348.100706	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-2H+K"	36.948606
"1564096"	348.100706	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+K-2H"	36.948606
"951980"	356.150294	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-H+HCOOH"	44.998194
"371289"	667.302401	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+HCOOH-H"	44.998201
"357358"	681.318051	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+Hac-H"	59.013851
"1504004"	370.165951	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Hac-H"	59.013851
"966080"	378.132251	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-H+NaCOOH"	66.980151
"114989"	346.121502	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+2Cl"	69.938804
"558922"	501.697552	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+2Cl"	69.938804
"1027722"	190.545452	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2Cl"	69.938804
"1248392"	390.070985	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Br"	78.918885
"1304359"	392.126972	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Cl+HCOOH"	80.974872
"1328341"	414.108929	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Cl+NaCOOH"	102.956829
"917212"	424.137686	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M-H+CF3COOH"	112.985586
"1295014"	460.114364	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Cl+CF3COOH"	148.962264
"1374270"	276.139424	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H-2H2O"	-35.012676
"1390673"	294.1494	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H-H2O"	-17.0027
"285986"	623.311476	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+H"	1.007276
"690805"	934.463576	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+H"	1.007276
"1361317"	312.159376	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H"	1.007276
"136031"	312.159376	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+2H"	2.014552
"568302"	467.735426	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+2H"	2.014552
"1043663"	156.583326	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2H"	2.014552
"206096"	208.442009333333	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+3H"	3.021828
"648937"	312.159376	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+3H"	3.021828
"1167061"	104.724642666667	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+3H"	3.021828
"430330"	640.338023	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+NH4"	18.033823
"790234"	951.490123	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+NH4"	18.033823
"1683646"	329.185923	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+NH4"	18.033823
"332294"	320.6726495	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+H+NH4"	19.041099
"723987"	476.2486995	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+H+NH4"	19.041099
"1479991"	165.0965995	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H+NH4"	19.041099
"395751"	645.293418	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+Na"	22.989218
"756385"	956.445518	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+Na"	22.989218
"1603145"	334.141318	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Na"	22.989218
"314683"	323.150347	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+H+Na"	23.996494
"709854"	478.726397	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+H+Na"	23.996494
"1462219"	167.574297	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H+Na"	23.996494
"1055107"	112.051956666667	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2H+Na"	25.00377
"1258245"	344.185586	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+CH3OH+H"	33.033486
"381927"	661.267358	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+K"	38.963158
"743289"	972.419458	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+K"	38.963158
"1544981"	350.115258	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+K"	38.963158
"305437"	331.137317	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+H+K"	39.970434
"696035"	486.713367	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+H+K"	39.970434
"1449124"	175.561267	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H+K"	39.970434
"242465"	664.338026	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+ACN+H"	42.033826
"1212987"	353.185926	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+ACN+H"	42.033826
"1199423"	177.096601	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+ACN+2H"	43.041102
"198492"	667.27536	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+2Na-H"	44.97116
"633676"	978.42746	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+2Na-H"	44.97116
"1135726"	356.12326	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2Na-H"	44.97116
"175735"	334.141318	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+2Na"	45.978436
"618212"	489.717368	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+2Na"	45.978436
"1119895"	178.565268	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2Na"	45.978436
"1403422"	119.379270666667	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H+2Na"	46.985712
"1434077"	358.164846	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H+HCOOH"	47.012746
"223411"	339.17434	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+3H2O+2H"	56.04448
"1514754"	372.21689	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+IsoProp+H"	61.06479
"410794"	342.128288	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+Na+K"	61.952376
"774706"	497.704338	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+Na+K"	61.952376
"1671764"	186.552238	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Na+K"	61.952376
"251841"	686.319968	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+ACN+Na"	64.015768
"1233190"	375.167868	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+ACN+Na"	64.015768
"1713441"	375.191393	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+NH4+HCOOH"	64.039293
"1184152"	126.706584666667	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+3Na"	68.967654
"1654043"	380.146788	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Na+HCOOH"	68.994688
"158717"	699.22324	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+2K-H"	76.91904
"603746"	1010.37534	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+2K-H"	76.91904
"1091542"	388.07114	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2K-H"	76.91904
"153826"	350.115258	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"2M+2K"	77.926316
"594239"	505.691308	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"3M+2K"	77.926316
"1075714"	194.539208	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2K"	77.926316
"1105643"	390.085692	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2K+H"	78.933592
"1343119"	390.173307	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+DMSO+H"	79.021207
"1017726"	394.212476	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2ACN+H"	83.060376
"1530868"	395.206108	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+IsoProp+Na+H"	84.054008
"1001691"	197.609876	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+2ACN+2H"	84.067652
"1602394"	396.120728	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+K+HCOOH"	84.968628
"1417116"	426.152238	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+H+CF3COOH"	115.000138
"1149226"	218.123151	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+3ACN+2H"	125.094202
"1703884"	443.178785	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+NH4+CF3COOH"	132.026685
"1634473"	448.13418	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+Na+CF3COOH"	136.98208
"1571377"	464.10812	"C09611"	"()-Pronuciferine"	"C19H21NO3"	"311.1521"	"M+K+CF3COOH"	152.95602
"806651"	464.2675	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M"	0
"980185"	445.24911	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-H2O-H"	-19.01839
"69519"	308.504390666667	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M-3H"	-3.021828
"515644"	463.260224	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M-3H"	-3.021828
"891260"	153.748557333333	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-3H"	-3.021828
"13118"	463.260224	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M-2H"	-2.014552
"453769"	695.393974	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M-2H"	-2.014552
"831207"	231.126474	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-2H"	-2.014552
"91565"	927.527724	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M-H"	-1.007276
"531124"	1391.795224	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M-H"	-1.007276
"910016"	463.260224	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-H"	-1.007276
"58923"	944.554271	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M-2H+NH4"	16.019271
"491191"	1408.821771	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M-2H+NH4"	16.019271
"867898"	480.286771	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-2H+NH4"	16.019271
"32392"	949.509666	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M-2H+Na"	20.974666
"474993"	1413.777166	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M-2H+Na"	20.974666
"851702"	485.242166	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-2H+Na"	20.974666
"1621235"	485.242166	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Na-2H"	20.974666
"95821"	481.248563	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M-H+Cl"	33.962126
"546087"	713.382313	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M-H+Cl"	33.962126
"934132"	249.114813	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-H+Cl"	33.962126
"281319"	963.504402	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+Cl"	34.969402
"667303"	1427.771902	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+Cl"	34.969402
"1272926"	499.236902	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Cl"	34.969402
"18985"	965.483606	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M-2H+K"	36.948606
"456840"	1429.751106	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M-2H+K"	36.948606
"836346"	501.216106	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-2H+K"	36.948606
"1559834"	501.216106	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+K-2H"	36.948606
"947719"	509.265694	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-H+HCOOH"	44.998194
"367026"	973.533201	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+HCOOH-H"	44.998201
"350908"	987.548851	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+Hac-H"	59.013851
"1496462"	523.281351	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Hac-H"	59.013851
"966189"	531.247651	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-H+NaCOOH"	66.980151
"115097"	499.236902	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+2Cl"	69.938804
"553565"	731.370652	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+2Cl"	69.938804
"1030018"	267.103152	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2Cl"	69.938804
"1252877"	543.186385	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Br"	78.918885
"1305606"	545.242372	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Cl+HCOOH"	80.974872
"1331731"	567.224329	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Cl+NaCOOH"	102.956829
"919508"	577.253086	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M-H+CF3COOH"	112.985586
"1296217"	613.229764	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Cl+CF3COOH"	148.962264
"1374380"	429.254824	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H-2H2O"	-35.012676
"1390783"	447.2648	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H-H2O"	-17.0027
"297033"	929.542276	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+H"	1.007276
"689825"	1393.809776	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+H"	1.007276
"1365804"	465.274776	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H"	1.007276
"136505"	465.274776	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+2H"	2.014552
"567681"	697.408526	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+2H"	2.014552
"1049241"	233.141026	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2H"	2.014552
"210581"	310.518942666667	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+3H"	3.021828
"652327"	465.274776	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+3H"	3.021828
"1169360"	155.763109333333	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+3H"	3.021828
"426798"	946.568823	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+NH4"	18.033823
"788522"	1410.836323	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+NH4"	18.033823
"1684854"	482.301323	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+NH4"	18.033823
"334956"	473.7880495	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+H+NH4"	19.041099
"725918"	705.9217995	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+H+NH4"	19.041099
"1481195"	241.6542995	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H+NH4"	19.041099
"395497"	951.524218	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+Na"	22.989218
"757591"	1415.791718	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+Na"	22.989218
"1604595"	487.256718	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Na"	22.989218
"315365"	476.265747	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+H+Na"	23.996494
"707902"	708.399497	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+H+Na"	23.996494
"1462704"	244.131997	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H+Na"	23.996494
"1056316"	163.090423333333	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2H+Na"	25.00377
"1261279"	497.300986	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+CH3OH+H"	33.033486
"385323"	967.498158	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+K"	38.963158
"746319"	1431.765658	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+K"	38.963158
"1547278"	503.230658	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+K"	38.963158
"304454"	484.252717	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+H+K"	39.970434
"697967"	716.386467	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+H+K"	39.970434
"1451786"	252.118967	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H+K"	39.970434
"242575"	970.568826	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+ACN+H"	42.033826
"1213461"	506.301326	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+ACN+H"	42.033826
"1201356"	253.654301	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+ACN+2H"	43.041102
"196414"	973.50616	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+2Na-H"	44.97116
"634517"	1437.77366	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+2Na-H"	44.97116
"1135106"	509.23866	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2Na-H"	44.97116
"179127"	487.256718	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+2Na"	45.978436
"617594"	719.390468	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+2Na"	45.978436
"1122560"	255.122968	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2Na"	45.978436
"1404989"	170.417737333333	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H+2Na"	46.985712
"1434915"	511.280246	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H+HCOOH"	47.012746
"225707"	492.28974	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+3H2O+2H"	56.04448
"1513770"	525.33229	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+IsoProp+H"	61.06479
"415643"	495.243688	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+Na+K"	61.952376
"776637"	727.377438	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+Na+K"	61.952376
"1674061"	263.109938	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Na+K"	61.952376
"258406"	992.550768	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+ACN+Na"	64.015768
"1230384"	528.283268	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+ACN+Na"	64.015768
"1720002"	528.306793	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+NH4+HCOOH"	64.039293
"1184262"	177.745051333333	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+3Na"	68.967654
"1653423"	533.262188	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Na+HCOOH"	68.994688
"163569"	1005.45404	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+2K-H"	76.91904
"610420"	1469.72154	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+2K-H"	76.91904
"1091652"	541.18654	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2K-H"	76.91904
"152844"	503.230658	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"2M+2K"	77.926316
"592403"	735.364408	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"3M+2K"	77.926316
"1078011"	271.096908	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2K"	77.926316
"1110126"	543.201092	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2K+H"	78.933592
"1347604"	543.288707	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+DMSO+H"	79.021207
"1016863"	547.327876	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2ACN+H"	83.060376
"1536448"	548.321508	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+IsoProp+Na+H"	84.054008
"1001801"	274.167576	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+2ACN+2H"	84.067652
"1598492"	549.236128	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+K+HCOOH"	84.968628
"1419778"	579.267638	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+H+CF3COOH"	115.000138
"1152256"	294.680851	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+3ACN+2H"	125.094202
"1700714"	596.294185	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+NH4+CF3COOH"	132.026685
"1636365"	601.24958	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+Na+CF3COOH"	136.98208
"1582955"	617.22352	"C09612"	"Psychotrine"	"C28H36N2O4"	"464.2675"	"M+K+CF3COOH"	152.95602
"812230"	295.1208	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M"	0
"986858"	276.10241	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-H2O-H"	-19.01839
"72912"	195.739924	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M-3H"	-3.021828
"513566"	294.113524	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M-3H"	-3.021828
"894650"	97.366324	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-3H"	-3.021828
"14683"	294.113524	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M-2H"	-2.014552
"455641"	441.673924	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M-2H"	-2.014552
"830587"	146.553124	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-2H"	-2.014552
"85112"	589.234324	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M-H"	-1.007276
"525766"	884.355124	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M-H"	-1.007276
"904661"	294.113524	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-H"	-1.007276
"56848"	606.260871	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M-2H+NH4"	16.019271
"495313"	901.381671	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M-2H+NH4"	16.019271
"868739"	311.140071	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-2H+NH4"	16.019271
"34452"	611.216266	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M-2H+Na"	20.974666
"476200"	906.337066	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M-2H+Na"	20.974666
"852178"	316.095466	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-2H+Na"	20.974666
"1620616"	316.095466	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Na-2H"	20.974666
"97147"	312.101863	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M-H+Cl"	33.962126
"548383"	459.662263	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M-H+Cl"	33.962126
"934242"	164.541463	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-H+Cl"	33.962126
"282118"	625.211002	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+Cl"	34.969402
"667413"	920.331802	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+Cl"	34.969402
"1280910"	330.090202	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Cl"	34.969402
"16539"	627.190206	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M-2H+K"	36.948606
"456706"	922.311006	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M-2H+K"	36.948606
"835362"	332.069406	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-2H+K"	36.948606
"1559945"	332.069406	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+K-2H"	36.948606
"947829"	340.118994	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-H+HCOOH"	44.998194
"368229"	635.239801	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+HCOOH-H"	44.998201
"353205"	649.255451	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+Hac-H"	59.013851
"1496572"	354.134651	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Hac-H"	59.013851
"966300"	362.100951	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-H+NaCOOH"	66.980151
"116302"	330.090202	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+2Cl"	69.938804
"562424"	477.650602	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+2Cl"	69.938804
"1032315"	182.529802	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2Cl"	69.938804
"1255174"	374.039685	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Br"	78.918885
"1307053"	376.095672	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Cl+HCOOH"	80.974872
"1330748"	398.077629	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Cl+NaCOOH"	102.956829
"918525"	408.106386	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M-H+CF3COOH"	112.985586
"1298513"	444.083064	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Cl+CF3COOH"	148.962264
"1374489"	260.108124	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H-2H2O"	-35.012676
"1390893"	278.1181	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H-H2O"	-17.0027
"296051"	591.248876	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+H"	1.007276
"688839"	886.369676	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+H"	1.007276
"1364090"	296.128076	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H"	1.007276
"130055"	296.128076	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+2H"	2.014552
"567427"	443.688476	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+2H"	2.014552
"1048623"	148.567676	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2H"	2.014552
"210690"	197.754476	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+3H"	3.021828
"650251"	296.128076	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+3H"	3.021828
"1167283"	99.380876	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+3H"	3.021828
"428367"	608.275423	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+NH4"	18.033823
"789362"	903.396223	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+NH4"	18.033823
"1684600"	313.154623	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+NH4"	18.033823
"335066"	304.6413495	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+H+NH4"	19.041099
"726025"	452.2017495	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+H+NH4"	19.041099
"1479119"	157.0809495	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H+NH4"	19.041099
"394513"	613.230818	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+Na"	22.989218
"755146"	908.351618	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+Na"	22.989218
"1602826"	318.110018	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Na"	22.989218
"314357"	307.119047	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+H+Na"	23.996494
"708256"	454.679447	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+H+Na"	23.996494
"1462935"	159.558647	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H+Na"	23.996494
"1057519"	106.70819	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2H+Na"	25.00377
"1265761"	328.154286	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+CH3OH+H"	33.033486
"387619"	629.204758	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+K"	38.963158
"748616"	924.325558	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+K"	38.963158
"1550667"	334.083958	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+K"	38.963158
"306747"	315.106017	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+H+K"	39.970434
"699168"	462.666417	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+H+K"	39.970434
"1450801"	167.545617	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H+K"	39.970434
"239403"	632.275426	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+ACN+H"	42.033826
"1212112"	337.154626	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+ACN+H"	42.033826
"1201464"	169.080951	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+ACN+2H"	43.041102
"196524"	635.21276	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+2Na-H"	44.97116
"630370"	930.33356	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+2Na-H"	44.97116
"1134488"	340.09196	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2Na-H"	44.97116
"179602"	318.110018	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+2Na"	45.978436
"615517"	465.670418	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+2Na"	45.978436
"1119388"	170.549618	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2Na"	45.978436
"1405099"	114.035504	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H+2Na"	46.985712
"1433203"	342.133546	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H+HCOOH"	47.012746
"225818"	323.14304	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+3H2O+2H"	56.04448
"1514973"	356.18559	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+IsoProp+H"	61.06479
"415754"	326.096988	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+Na+K"	61.952376
"775290"	473.657388	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+Na+K"	61.952376
"1668703"	178.536588	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Na+K"	61.952376
"259609"	654.257368	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+ACN+Na"	64.015768
"1229401"	359.136568	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+ACN+Na"	64.015768
"1722298"	359.160093	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+NH4+HCOOH"	64.039293
"1186557"	121.362818	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+3Na"	68.967654
"1658638"	364.115488	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Na+HCOOH"	68.994688
"166592"	667.16064	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+2K-H"	76.91904
"606155"	962.28144	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+2K-H"	76.91904
"1092855"	372.03984	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2K-H"	76.91904
"157053"	334.083958	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"2M+2K"	77.926316
"596614"	481.644358	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"3M+2K"	77.926316
"1082495"	186.523558	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2K"	77.926316
"1113517"	374.054392	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2K+H"	78.933592
"1346620"	374.142007	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+DMSO+H"	79.021207
"1011871"	378.181176	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2ACN+H"	83.060376
"1534371"	379.174808	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+IsoProp+Na+H"	84.054008
"1005198"	189.594226	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+2ACN+2H"	84.067652
"1601520"	380.089428	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+K+HCOOH"	84.968628
"1422075"	410.120938	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+H+CF3COOH"	115.000138
"1153460"	210.107501	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+3ACN+2H"	125.094202
"1703012"	427.147485	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+NH4+CF3COOH"	132.026685
"1638661"	432.10288	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+Na+CF3COOH"	136.98208
"1576504"	448.07682	"C09613"	"Pukateine"	"C18H17NO3"	"295.1208"	"M+K+CF3COOH"	152.95602
"809060"	272.0685	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M"	0
"985875"	253.05011	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"71929"	180.371724	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"514770"	271.061224	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"890387"	89.682224	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"12970"	271.061224	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"451803"	407.095474	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"827418"	135.026974	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"85224"	543.129724	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"525878"	815.198224	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"903677"	271.061224	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"51492"	560.156271	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"498705"	832.224771	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"869216"	288.087771	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"35291"	565.111666	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"475945"	837.180166	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"850829"	293.043166	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1620729"	293.043166	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"95436"	289.049563	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"546307"	425.083813	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"933259"	153.015313	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"278376"	579.106402	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"667523"	851.174902	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1277739"	307.037902	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"19201"	581.085606	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"458761"	853.154106	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"833200"	309.017106	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1557865"	309.017106	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"945750"	317.066694	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"363964"	589.135201	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"350034"	603.150851	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1495951"	331.082351	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"964221"	339.048651	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"114224"	307.037902	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"558159"	443.072152	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1033518"	171.003652	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1250910"	350.987385	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1307891"	353.043372	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1331587"	375.025329	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"918635"	385.054086	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1298623"	421.030764	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1374599"	237.055824	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1391003"	255.0658	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"295064"	545.144276	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"687851"	817.212776	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1363473"	273.075776	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"130165"	273.075776	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"567538"	409.110026	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1048369"	137.041526	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"208614"	182.386276	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"650361"	273.075776	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1168486"	91.696776	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"428109"	562.170823	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"788011"	834.239323	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1685069"	290.102323	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"331890"	281.5890495	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"725408"	417.6232995	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1478500"	145.5547995	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"394623"	567.126218	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"755619"	839.194718	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1602992"	295.057718	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"314307"	284.066747	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"708726"	420.100997	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1462924"	148.032497	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1056536"	99.02409	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1262589"	305.101986	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"385540"	583.100158	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"743251"	855.168658	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1546397"	311.031658	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"306854"	292.053717	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"698185"	428.087967	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1448359"	156.019467	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"237326"	586.170826	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1210764"	314.102326	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1195134"	157.554801	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"193351"	589.10816	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"629996"	861.17666	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1132774"	317.03966	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"177524"	295.057718	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"615983"	431.091968	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1118395"	159.023468	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1399856"	106.351404	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1432212"	319.081246	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"223372"	300.09074	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1511800"	333.13329	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"413676"	303.044688	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"774306"	439.078938	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1667718"	167.010438	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"259719"	608.152768	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1231334"	336.084268	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1722408"	336.107793	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1185574"	113.678718	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1660935"	341.063188	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"164515"	621.05604	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"607359"	893.12454	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1096976"	348.98754	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"157066"	311.031658	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"596764"	447.065908	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1082605"	174.997408	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1113627"	351.002092	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1350011"	351.089707	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1014167"	355.128876	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1534481"	356.122508	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1005184"	178.068076	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1601631"	357.037128	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1423279"	387.068638	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1153570"	198.581351	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1703122"	404.095185	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1637678"	409.05058	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1583175"	425.02452	"C09614"	"Butin;(-)-Butin;734-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"809170"	608.2886	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M"	0
"984891"	589.27021	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-H2O-H"	-19.01839
"69852"	404.518457333333	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M-3H"	-3.021828
"513787"	607.281324	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M-3H"	-3.021828
"888311"	201.755590666667	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-3H"	-3.021828
"10164"	607.281324	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M-2H"	-2.014552
"453737"	911.425624	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M-2H"	-2.014552
"829351"	303.137024	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-2H"	-2.014552
"91167"	1215.569924	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M-H"	-1.007276
"533646"	1823.858524	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M-H"	-1.007276
"908162"	607.281324	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-H"	-1.007276
"55977"	1232.596471	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M-2H+NH4"	16.019271
"498815"	1840.885071	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M-2H+NH4"	16.019271
"868962"	624.307871	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-2H+NH4"	16.019271
"35764"	1237.551866	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M-2H+Na"	20.974666
"477877"	1845.840466	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M-2H+Na"	20.974666
"853491"	629.263266	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-2H+Na"	20.974666
"1623755"	629.263266	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Na-2H"	20.974666
"102473"	625.269663	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M-H+Cl"	33.962126
"546417"	929.413963	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M-H+Cl"	33.962126
"933369"	321.125363	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-H+Cl"	33.962126
"275207"	1251.546602	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+Cl"	34.969402
"669821"	1859.835202	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+Cl"	34.969402
"1281129"	643.258002	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Cl"	34.969402
"24777"	1253.525806	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M-2H+K"	36.948606
"463245"	1861.814406	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M-2H+K"	36.948606
"841047"	645.237206	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-2H+K"	36.948606
"1562349"	645.237206	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+K-2H"	36.948606
"949140"	653.286794	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-H+HCOOH"	44.998194
"364075"	1261.575401	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+HCOOH-H"	44.998201
"350144"	1275.591051	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+Hac-H"	59.013851
"1496061"	667.302451	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Hac-H"	59.013851
"964331"	675.268751	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-H+NaCOOH"	66.980151
"117614"	643.258002	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+2Cl"	69.938804
"559363"	947.402302	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+2Cl"	69.938804
"1032535"	339.113702	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2Cl"	69.938804
"1251020"	687.207485	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Br"	78.918885
"1307273"	689.263472	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Cl+HCOOH"	80.974872
"1329874"	711.245429	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Cl+NaCOOH"	102.956829
"916558"	721.274186	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M-H+CF3COOH"	112.985586
"1297640"	757.250864	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Cl+CF3COOH"	148.962264
"1377989"	573.275924	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H-2H2O"	-35.012676
"1391113"	591.2859	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H-H2O"	-17.0027
"294810"	1217.584476	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+H"	1.007276
"688691"	1825.873076	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+H"	1.007276
"1363584"	609.295876	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H"	1.007276
"137201"	609.295876	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+2H"	2.014552
"574209"	913.440176	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+2H"	2.014552
"1046291"	305.151576	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2H"	2.014552
"208724"	406.533009333333	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+3H"	3.021828
"650471"	609.295876	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+3H"	3.021828
"1167503"	203.770142666667	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+3H"	3.021828
"430768"	1234.611023	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+NH4"	18.033823
"789215"	1842.899623	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+NH4"	18.033823
"1684453"	626.322423	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+NH4"	18.033823
"334190"	617.8091495	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+H+NH4"	19.041099
"727706"	921.9534495	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+H+NH4"	19.041099
"1479339"	313.6648495	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H+NH4"	19.041099
"395832"	1239.566418	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+Na"	22.989218
"756827"	1847.855018	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+Na"	22.989218
"1603956"	631.277818	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Na"	22.989218
"315326"	620.286847	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+H+Na"	23.996494
"708477"	924.431147	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+H+Na"	23.996494
"1466680"	316.142547	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H+Na"	23.996494
"1058833"	211.097456666667	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2H+Na"	25.00377
"1265615"	641.322086	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+CH3OH+H"	33.033486
"385650"	1255.540358	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+K"	38.963158
"743361"	1863.828958	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+K"	38.963158
"1544320"	647.251758	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+K"	38.963158
"304777"	628.273817	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+H+K"	39.970434
"697200"	932.418117	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+H+K"	39.970434
"1447741"	324.129517	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H+K"	39.970434
"238529"	1258.611026	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+ACN+H"	42.033826
"1213426"	650.322426	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+ACN+H"	42.033826
"1197310"	325.664851	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+ACN+2H"	43.041102
"192368"	1261.54836	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+2Na-H"	44.97116
"631202"	1869.83696	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+2Na-H"	44.97116
"1135801"	653.25976	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2Na-H"	44.97116
"179823"	631.277818	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+2Na"	45.978436
"617195"	935.422118	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+2Na"	45.978436
"1117780"	327.133518	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2Na"	45.978436
"1402035"	218.424770666667	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H+2Na"	46.985712
"1433788"	655.301346	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H+HCOOH"	47.012746
"223846"	636.31084	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+3H2O+2H"	56.04448
"1515189"	669.35339	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+H"	61.06479
"413785"	639.264788	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+Na+K"	61.952376
"775877"	943.409088	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+Na+K"	61.952376
"1675486"	335.120488	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Na+K"	61.952376
"259829"	1280.592968	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+ACN+Na"	64.015768
"1230714"	672.304368	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+ACN+Na"	64.015768
"1720331"	672.327893	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+NH4+HCOOH"	64.039293
"1188964"	225.752084666667	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+3Na"	68.967654
"1656671"	677.283288	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Na+HCOOH"	68.994688
"167906"	1293.49624	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+2K-H"	76.91904
"607469"	1901.78484	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+2K-H"	76.91904
"1095261"	685.20764	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2K-H"	76.91904
"150985"	647.251758	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"2M+2K"	77.926316
"588359"	951.396058	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"3M+2K"	77.926316
"1080527"	343.107458	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2K"	77.926316
"1112643"	687.222192	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2K+H"	78.933592
"1344653"	687.309807	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+DMSO+H"	79.021207
"1015371"	691.348976	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2ACN+H"	83.060376
"1534591"	692.342608	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+Na+H"	84.054008
"1003225"	346.178126	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+2ACN+2H"	84.067652
"1599918"	693.257228	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+K+HCOOH"	84.968628
"1424484"	723.288738	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+H+CF3COOH"	115.000138
"1155866"	366.691401	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+3ACN+2H"	125.094202
"1703232"	740.315285	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+NH4+CF3COOH"	132.026685
"1642163"	745.27068	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+Na+CF3COOH"	136.98208
"1583285"	761.24462	"C09615"	"Pycnamine"	"C37H40N2O6"	"608.2886"	"M+K+CF3COOH"	152.95602
"815840"	596.1741	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M"	0
"985003"	577.15571	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-H2O-H"	-19.01839
"74336"	396.442124	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M-3H"	-3.021828
"516085"	595.166824	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M-3H"	-3.021828
"892431"	197.717424	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-3H"	-3.021828
"14651"	595.166824	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M-2H"	-2.014552
"454094"	893.253874	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M-2H"	-2.014552
"829830"	297.079774	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-2H"	-2.014552
"91891"	1191.340924	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M-H"	-1.007276
"532423"	1787.515024	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M-H"	-1.007276
"908153"	595.166824	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-H"	-1.007276
"61679"	1208.367471	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M-2H+NH4"	16.019271
"501846"	1804.541571	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M-2H+NH4"	16.019271
"875636"	612.193371	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-2H+NH4"	16.019271
"36971"	1213.322866	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M-2H+Na"	20.974666
"483093"	1809.496966	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M-2H+Na"	20.974666
"855427"	617.148766	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-2H+Na"	20.974666
"1626053"	617.148766	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Na-2H"	20.974666
"102583"	613.155163	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M-H+Cl"	33.962126
"538873"	911.242213	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M-H+Cl"	33.962126
"934574"	315.068113	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-H+Cl"	33.962126
"277505"	1227.317602	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+Cl"	34.969402
"666649"	1823.491702	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+Cl"	34.969402
"1276864"	631.143502	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Cl"	34.969402
"18326"	1229.296806	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M-2H+K"	36.948606
"457888"	1825.470906	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M-2H+K"	36.948606
"836784"	633.122706	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-2H+K"	36.948606
"1560272"	633.122706	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+K-2H"	36.948606
"953623"	641.172294	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-H+HCOOH"	44.998194
"367465"	1237.346401	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+HCOOH-H"	44.998201
"350254"	1251.362051	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+Hac-H"	59.013851
"1499088"	655.187951	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Hac-H"	59.013851
"967721"	663.154251	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-H+NaCOOH"	66.980151
"121004"	631.143502	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+2Cl"	69.938804
"561660"	929.230552	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+2Cl"	69.938804
"1032645"	333.056452	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2Cl"	69.938804
"1254411"	675.092985	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Br"	78.918885
"1309206"	677.148972	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Cl+HCOOH"	80.974872
"1325611"	699.130929	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Cl+NaCOOH"	102.956829
"915575"	709.159686	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M-H+CF3COOH"	112.985586
"1291190"	745.136364	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Cl+CF3COOH"	148.962264
"1369351"	561.161424	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H-2H2O"	-35.012676
"1386848"	579.1714	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H-H2O"	-17.0027
"292004"	1193.355476	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+H"	1.007276
"688801"	1789.529576	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+H"	1.007276
"1364423"	597.181376	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H"	1.007276
"138039"	597.181376	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+2H"	2.014552
"577599"	895.268426	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+2H"	2.014552
"1046401"	299.094326	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2H"	2.014552
"211021"	398.456676	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+3H"	3.021828
"652768"	597.181376	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+3H"	3.021828
"1164940"	199.731976	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+3H"	3.021828
"430515"	1210.382023	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+NH4"	18.033823
"789690"	1806.556123	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+NH4"	18.033823
"1686021"	614.207923	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+NH4"	18.033823
"334300"	605.6946495	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+H+NH4"	19.041099
"727815"	903.7816995	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+H+NH4"	19.041099
"1479814"	307.6075995	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H+NH4"	19.041099
"399223"	1215.337418	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+Na"	22.989218
"758032"	1811.511518	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+Na"	22.989218
"1603943"	619.163318	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Na"	22.989218
"315437"	608.172347	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+H+Na"	23.996494
"708589"	906.259397	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+H+Na"	23.996494
"1464594"	310.085297	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H+Na"	23.996494
"1061129"	207.05929	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2H+Na"	25.00377
"1267547"	629.207586	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+CH3OH+H"	33.033486
"385759"	1231.311358	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+K"	38.963158
"743471"	1827.485458	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+K"	38.963158
"1544430"	635.137258	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+K"	38.963158
"308168"	616.159317	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+H+K"	39.970434
"696215"	914.246367	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+H+K"	39.970434
"1453315"	318.072267	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H+K"	39.970434
"239734"	1234.382026	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+ACN+H"	42.033826
"1214630"	638.207926	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+ACN+H"	42.033826
"1197053"	319.607601	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+ACN+2H"	43.041102
"193572"	1237.31936	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+2Na-H"	44.97116
"632405"	1833.49346	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+2Na-H"	44.97116
"1137734"	641.14526	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2Na-H"	44.97116
"177746"	619.163318	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+2Na"	45.978436
"619492"	917.250368	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+2Na"	45.978436
"1118258"	321.076268	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2Na"	45.978436
"1403241"	214.386604	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H+2Na"	46.985712
"1433898"	643.186846	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H+HCOOH"	47.012746
"223229"	624.19634	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+3H2O+2H"	56.04448
"1518584"	657.23889	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+IsoProp+H"	61.06479
"412803"	627.150288	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+Na+K"	61.952376
"775986"	925.237338	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+Na+K"	61.952376
"1675596"	329.063238	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Na+K"	61.952376
"261763"	1256.363968	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+ACN+Na"	64.015768
"1231555"	660.189868	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+ACN+Na"	64.015768
"1724452"	660.213393	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+NH4+HCOOH"	64.039293
"1184701"	221.713918	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+3Na"	68.967654
"1661155"	665.168788	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Na+HCOOH"	68.994688
"164737"	1269.26724	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+2K-H"	76.91904
"605392"	1865.44134	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+2K-H"	76.91904
"1096463"	673.09314	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2K-H"	76.91904
"150000"	635.137258	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"2M+2K"	77.926316
"590654"	933.224308	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"3M+2K"	77.926316
"1079542"	337.050208	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2K"	77.926316
"1108376"	675.107692	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2K+H"	78.933592
"1344763"	675.195307	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+DMSO+H"	79.021207
"1013295"	679.234476	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2ACN+H"	83.060376
"1532513"	680.228108	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+IsoProp+Na+H"	84.054008
"997867"	340.120876	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+2ACN+2H"	84.067652
"1599663"	681.142728	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+K+HCOOH"	84.968628
"1424593"	711.174238	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+H+CF3COOH"	115.000138
"1153789"	360.634151	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+3ACN+2H"	125.094202
"1702247"	728.200785	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+NH4+CF3COOH"	132.026685
"1637899"	733.15618	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+Na+CF3COOH"	136.98208
"1583395"	749.13012	"C09616"	"Butrin;Butin 73-di-O-glucoside"	"C27H32O15"	"596.1741"	"M+K+CF3COOH"	152.95602
"803921"	422.1213	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M"	0
"988392"	403.10291	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-H2O-H"	-19.01839
"77809"	280.406924	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M-3H"	-3.021828
"518384"	421.114024	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M-3H"	-3.021828
"891810"	139.699824	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-3H"	-3.021828
"15488"	421.114024	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M-2H"	-2.014552
"454688"	632.174674	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M-2H"	-2.014552
"828845"	210.053374	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-2H"	-2.014552
"92116"	843.235324	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M-H"	-1.007276
"533377"	1265.356624	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M-H"	-1.007276
"909234"	421.114024	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-H"	-1.007276
"62155"	860.261871	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M-2H+NH4"	16.019271
"500617"	1282.383171	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M-2H+NH4"	16.019271
"877203"	438.140571	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-2H+NH4"	16.019271
"38537"	865.217266	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M-2H+Na"	20.974666
"484296"	1287.338566	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M-2H+Na"	20.974666
"855537"	443.095966	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-2H+Na"	20.974666
"1626163"	443.095966	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Na-2H"	20.974666
"102693"	439.102363	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M-H+Cl"	33.962126
"543355"	650.163013	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M-H+Cl"	33.962126
"936870"	228.041713	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-H+Cl"	33.962126
"278708"	879.212002	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+Cl"	34.969402
"670039"	1301.333302	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+Cl"	34.969402
"1276974"	457.090702	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Cl"	34.969402
"19530"	881.191206	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M-2H+K"	36.948606
"456905"	1303.312506	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M-2H+K"	36.948606
"836894"	459.069906	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-2H+K"	36.948606
"1557102"	459.069906	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+K-2H"	36.948606
"954826"	467.119494	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-H+HCOOH"	44.998194
"368668"	889.240801	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+HCOOH-H"	44.998201
"350364"	903.256451	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+Hac-H"	59.013851
"1500291"	481.135151	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Hac-H"	59.013851
"967831"	489.101451	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-H+NaCOOH"	66.980151
"122207"	457.090702	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+2Cl"	69.938804
"561770"	668.151352	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+2Cl"	69.938804
"1033848"	246.030052	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2Cl"	69.938804
"1255250"	501.040185	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Br"	78.918885
"1313690"	503.096172	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Cl+HCOOH"	80.974872
"1329000"	525.078129	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Cl+NaCOOH"	102.956829
"921151"	535.106886	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M-H+CF3COOH"	112.985586
"1298953"	571.083564	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Cl+CF3COOH"	148.962264
"1374928"	387.108624	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H-2H2O"	-35.012676
"1394247"	405.1186	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H-H2O"	-17.0027
"293207"	845.249876	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+H"	1.007276
"687816"	1267.371176	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+H"	1.007276
"1363801"	423.128576	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H"	1.007276
"137056"	423.128576	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+2H"	2.014552
"577709"	634.189226	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+2H"	2.014552
"1050158"	212.067926	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2H"	2.014552
"216965"	282.421476	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+3H"	3.021828
"656888"	423.128576	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+3H"	3.021828
"1167724"	141.714376	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+3H"	3.021828
"429900"	862.276423	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+NH4"	18.033823
"791989"	1284.397723	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+NH4"	18.033823
"1690506"	440.155123	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+NH4"	18.033823
"337690"	431.6418495	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+H+NH4"	19.041099
"730113"	642.7024995	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+H+NH4"	19.041099
"1481747"	220.5811995	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H+NH4"	19.041099
"404800"	867.231818	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+Na"	22.989218
"761423"	1289.353118	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+Na"	22.989218
"1606241"	445.110518	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Na"	22.989218
"318463"	434.119547	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+H+Na"	23.996494
"710887"	645.180197	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+H+Na"	23.996494
"1463613"	223.058897	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H+Na"	23.996494
"1060145"	149.04169	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2H+Na"	25.00377
"1261824"	455.154786	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+CH3OH+H"	33.033486
"383679"	883.205758	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+K"	38.963158
"739934"	1305.327058	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+K"	38.963158
"1545633"	461.084458	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+K"	38.963158
"302809"	442.106517	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+H+K"	39.970434
"699605"	653.167167	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+H+K"	39.970434
"1450146"	231.045867	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H+K"	39.970434
"239475"	886.276426	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+ACN+H"	42.033826
"1211457"	464.155126	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+ACN+H"	42.033826
"1195341"	232.581201	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+ACN+2H"	43.041102
"191494"	889.21376	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+2Na-H"	44.97116
"631785"	1311.33506	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+2Na-H"	44.97116
"1137844"	467.09246	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2Na-H"	44.97116
"180042"	445.110518	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+2Na"	45.978436
"620695"	656.171168	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+2Na"	45.978436
"1118734"	234.049868	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2Na"	45.978436
"1406631"	156.369004	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H+2Na"	46.985712
"1436559"	469.134046	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H+HCOOH"	47.012746
"222976"	450.14354	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+3H2O+2H"	56.04448
"1512134"	483.18609	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+IsoProp+H"	61.06479
"411090"	453.097488	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+Na+K"	61.952376
"776096"	664.158138	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+Na+K"	61.952376
"1672425"	242.036838	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Na+K"	61.952376
"262237"	908.258368	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+ACN+Na"	64.015768
"1234945"	486.137068	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+ACN+Na"	64.015768
"1723832"	486.160593	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+NH4+HCOOH"	64.039293
"1183718"	163.696318	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+3Na"	68.967654
"1659078"	491.115988	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Na+HCOOH"	68.994688
"165939"	921.16164	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+2K-H"	76.91904
"602221"	1343.28294	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+2K-H"	76.91904
"1096573"	499.04034	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2K-H"	76.91904
"150109"	461.084458	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"2M+2K"	77.926316
"588576"	672.145108	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"3M+2K"	77.926316
"1078558"	250.023808	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2K"	77.926316
"1111766"	501.054892	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2K+H"	78.933592
"1343778"	501.142507	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+DMSO+H"	79.021207
"1013404"	505.181676	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2ACN+H"	83.060376
"1530434"	506.175308	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+IsoProp+Na+H"	84.054008
"997974"	253.094476	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+2ACN+2H"	84.067652
"1594669"	507.089928	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+K+HCOOH"	84.968628
"1422516"	537.121438	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+H+CF3COOH"	115.000138
"1151713"	273.607751	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+3ACN+2H"	125.094202
"1701264"	554.147985	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+NH4+CF3COOH"	132.026685
"1638009"	559.10338	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+Na+CF3COOH"	136.98208
"1583505"	575.07732	"C09617"	"Catechin 7-O-beta-D-xyloside"	"C20H22O10"	"422.1213"	"M+K+CF3COOH"	152.95602
"804031"	258.0892	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M"	0
"987407"	239.07081	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"73462"	171.052190666667	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"513025"	257.081924	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"890826"	85.0224573333333	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"12683"	257.081924	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"450059"	386.126524	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"828955"	128.037324	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"92105"	515.171124	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"532151"	773.260324	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"909952"	257.081924	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"62268"	532.197671	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"502794"	790.286871	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"879866"	274.108471	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"41566"	537.153066	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"482220"	795.242266	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"861115"	279.063866	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1629554"	279.063866	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"101710"	275.070263	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"543465"	404.114863	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"936980"	146.025663	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"278818"	551.147802	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"669056"	809.237002	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1286561"	293.058602	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"28387"	553.127006	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"462481"	811.216206	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"838461"	295.037806	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1560491"	295.037806	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"953843"	303.087394	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"369872"	561.176601	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"353754"	575.192251	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1504775"	317.103051	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"969034"	325.069351	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"122318"	293.058602	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"564796"	422.103202	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1033959"	164.014002	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1255724"	337.008085	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1313800"	339.064072	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1330203"	361.046029	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"921260"	371.074786	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1299063"	407.051464	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1377225"	223.076524	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1394721"	241.0865	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"294409"	517.185676	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"680268"	775.274876	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1363547"	259.096476	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"137531"	259.096476	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"578185"	388.141076	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1050633"	130.051876	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"218167"	173.066742666667	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"658093"	259.096476	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1171113"	87.0370093333333	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"431103"	534.212223	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"793191"	792.301423	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1691710"	276.123023	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"342903"	267.6097495	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"734596"	396.6543495	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1491701"	138.5651495	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"407464"	539.167618	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"760438"	797.256818	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1607444"	281.078418	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"318575"	270.087447	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"714275"	399.132047	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1464815"	141.042847	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1060255"	94.3643233333333	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1264121"	291.122686	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"384883"	555.141558	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"739554"	813.230758	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1544650"	297.052358	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"304014"	278.074417	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"698622"	407.119017	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1452443"	149.029817	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"237762"	558.212226	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1212658"	300.123026	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1198733"	150.565151	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"195979"	561.14956	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"635541"	819.23876	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1140141"	303.06036	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"183432"	281.078418	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"618982"	410.123018	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1118843"	152.033818	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1401638"	101.691637333333	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1436669"	305.101946	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"224180"	286.11144	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1512242"	319.15399	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"411928"	289.065388	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"776206"	418.109988	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1669619"	160.020788	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"262347"	580.194168	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1237242"	322.104968	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1725401"	322.128493	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1186015"	109.018951333333	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1661375"	327.083888	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"170423"	593.09744	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"608891"	851.18664	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1097776"	335.00824	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"150219"	297.052358	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"591966"	426.096958	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1079761"	168.007758	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1114672"	337.022792	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1344978"	337.110407	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1013515"	341.149576	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1532731"	342.143208	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1000271"	171.078426	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1599153"	343.057828	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1423719"	373.089338	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1150728"	191.591701	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1701374"	390.115885	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1635933"	395.07128	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1583615"	411.04522	"C09618"	"Davidigenin;424-Trihydroxydihydrochalcone"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"812889"	383.1369	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M"	0
"987517"	364.11851	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-H2O-H"	-19.01839
"76489"	254.417324	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M-3H"	-3.021828
"517873"	382.129624	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M-3H"	-3.021828
"892029"	126.705024	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-3H"	-3.021828
"14613"	382.129624	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M-2H"	-2.014552
"454782"	573.698074	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M-2H"	-2.014552
"827969"	190.561174	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-2H"	-2.014552
"91972"	765.266524	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M-H"	-1.007276
"532747"	1148.403424	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M-H"	-1.007276
"908603"	382.129624	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-H"	-1.007276
"59699"	782.293071	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M-2H+NH4"	16.019271
"501203"	1165.429971	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M-2H+NH4"	16.019271
"879697"	399.156171	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-2H+NH4"	16.019271
"45323"	787.248466	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M-2H+Na"	20.974666
"485247"	1170.385366	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M-2H+Na"	20.974666
"860132"	404.111566	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-2H+Na"	20.974666
"1625292"	404.111566	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Na-2H"	20.974666
"100727"	400.117963	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M-H+Cl"	33.962126
"543575"	591.686413	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M-H+Cl"	33.962126
"937090"	208.549513	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-H+Cl"	33.962126
"277835"	801.243202	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+Cl"	34.969402
"672446"	1184.380102	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+Cl"	34.969402
"1288010"	418.106302	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Cl"	34.969402
"27769"	803.222406	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M-2H+K"	36.948606
"463684"	1186.359306	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M-2H+K"	36.948606
"840394"	420.085506	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-2H+K"	36.948606
"1566068"	420.085506	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+K-2H"	36.948606
"948485"	428.135094	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-H+HCOOH"	44.998194
"374358"	811.272001	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+HCOOH-H"	44.998201
"358970"	825.287651	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+Hac-H"	59.013851
"1503793"	442.150751	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Hac-H"	59.013851
"971334"	450.117051	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-H+NaCOOH"	66.980151
"123522"	418.106302	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+2Cl"	69.938804
"565270"	609.674752	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+2Cl"	69.938804
"1034071"	226.537852	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2Cl"	69.938804
"1256202"	462.055785	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Br"	78.918885
"1315003"	464.111772	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Cl+HCOOH"	80.974872
"1330313"	486.093729	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Cl+NaCOOH"	102.956829
"921370"	496.122486	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M-H+CF3COOH"	112.985586
"1296985"	532.099164	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Cl+CF3COOH"	148.962264
"1379887"	348.124224	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H-2H2O"	-35.012676
"1395926"	366.1342	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H-H2O"	-17.0027
"293425"	767.281076	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+H"	1.007276
"680378"	1150.417976	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+H"	1.007276
"1360010"	384.144176	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H"	1.007276
"136549"	384.144176	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+2H"	2.014552
"576108"	575.712626	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+2H"	2.014552
"1051107"	192.575726	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2H"	2.014552
"214631"	256.431876	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+3H"	3.021828
"656744"	384.144176	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+3H"	3.021828
"1167944"	128.719576	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+3H"	3.021828
"431213"	784.307623	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+NH4"	18.033823
"791115"	1167.444523	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+NH4"	18.033823
"1688539"	401.170723	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+NH4"	18.033823
"337910"	392.6574495	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+H+NH4"	19.041099
"730332"	584.2258995	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+H+NH4"	19.041099
"1488894"	201.0889995	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H+NH4"	19.041099
"403925"	789.263018	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+Na"	22.989218
"766744"	1172.399918	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+Na"	22.989218
"1605368"	406.126118	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Na"	22.989218
"315888"	395.135147	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+H+Na"	23.996494
"711105"	586.703597	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+H+Na"	23.996494
"1464925"	203.566697	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H+Na"	23.996494
"1058179"	136.04689	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2H+Na"	25.00377
"1263138"	416.170386	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+CH3OH+H"	33.033486
"380619"	805.236958	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+K"	38.963158
"738813"	1188.373858	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+K"	38.963158
"1541478"	422.100058	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+K"	38.963158
"300844"	403.122117	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+H+K"	39.970434
"693263"	594.690567	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+H+K"	39.970434
"1450367"	211.553667	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H+K"	39.970434
"238967"	808.307626	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+ACN+H"	42.033826
"1212041"	425.170726	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+ACN+H"	42.033826
"1204312"	213.089001	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+ACN+2H"	43.041102
"194996"	811.24496	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+2Na-H"	44.97116
"634558"	1194.38186	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+2Na-H"	44.97116
"1135876"	428.10806	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2Na-H"	44.97116
"177345"	406.126118	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+2Na"	45.978436
"615813"	597.694568	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+2Na"	45.978436
"1118589"	214.557668	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2Na"	45.978436
"1400653"	143.374204	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H+2Na"	46.985712
"1432769"	430.149646	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H+HCOOH"	47.012746
"221735"	411.15914	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+3H2O+2H"	56.04448
"1510526"	444.20169	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+IsoProp+H"	61.06479
"410946"	414.113088	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+Na+K"	61.952376
"773035"	605.681538	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+Na+K"	61.952376
"1672646"	222.544638	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Na+K"	61.952376
"265739"	830.289568	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+ACN+Na"	64.015768
"1239904"	447.152668	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+ACN+Na"	64.015768
"1725875"	447.176193	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+NH4+HCOOH"	64.039293
"1192685"	150.701518	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+3Na"	68.967654
"1665543"	452.131588	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Na+HCOOH"	68.994688
"170535"	843.19284	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+2K-H"	76.91904
"609004"	1226.32974	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+2K-H"	76.91904
"1098742"	460.05594	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2K-H"	76.91904
"153609"	422.100058	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"2M+2K"	77.926316
"596089"	613.668508	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"3M+2K"	77.926316
"1077687"	230.531608	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2K"	77.926316
"1114055"	462.070492	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2K+H"	78.933592
"1350561"	462.158107	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+DMSO+H"	79.021207
"1013625"	466.197276	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2ACN+H"	83.060376
"1531749"	467.190908	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+IsoProp+Na+H"	84.054008
"1003665"	233.602276	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+2ACN+2H"	84.067652
"1599264"	468.105528	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+K+HCOOH"	84.968628
"1424923"	498.137038	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+H+CF3COOH"	115.000138
"1154118"	254.115551	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+3ACN+2H"	125.094202
"1703671"	515.163585	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+NH4+CF3COOH"	132.026685
"1635314"	520.11898	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+Na+CF3COOH"	136.98208
"1583725"	536.09292	"C09619"	"Rhoeadine"	"C21H21NO6"	"383.1369"	"M+K+CF3COOH"	152.95602
"804251"	222.1984	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M"	0
"986534"	203.18001	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"71496"	147.124990666667	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"513242"	221.191124	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"885579"	73.0588573333333	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"11807"	221.191124	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"453555"	332.290324	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"824799"	110.091924	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"89895"	443.389524	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"529820"	665.587924	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"905433"	221.191124	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"54342"	460.416071	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"492808"	682.614471	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"874983"	238.217671	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"45068"	465.371466	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"485357"	687.569866	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"854775"	243.173066	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1620296"	243.173066	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"95366"	239.179463	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"542589"	350.278663	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"933917"	128.080263	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"271382"	479.366202	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"674743"	701.564602	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1284958"	257.167802	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"25327"	481.345406	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"462701"	703.543806	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"838318"	259.147006	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1561804"	259.147006	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"945315"	267.196594	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"371186"	489.395001	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"356163"	503.410651	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1503903"	281.212251	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"970351"	289.178551	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"120352"	257.167802	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"564287"	368.267002	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1033087"	146.068602	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1256313"	301.117285	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1315113"	303.173272	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1328236"	325.155229	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"921481"	335.183986	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1297095"	371.160664	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1377445"	187.185724	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1391661"	205.1957	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"288067"	445.404076	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"679395"	667.602476	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1361213"	223.205676	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"137751"	223.205676	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"573666"	334.304876	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1044654"	112.106476	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"208545"	149.139542666667	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"648835"	223.205676	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1165866"	75.0734093333333	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"426948"	462.430623	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790128"	684.629023	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1683181"	240.232223	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"330729"	231.7189495	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"723881"	342.8181495	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1480983"	120.6197495	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"400755"	467.386018	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"762844"	689.584418	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1603772"	245.187618	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"314291"	234.196647	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"710119"	345.295847	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1465033"	123.097447	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1053101"	82.4007233333333	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1259602"	255.231886	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"378541"	483.359958	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"738539"	705.558358	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1539916"	261.161558	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"299078"	242.183617	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"692278"	353.282817	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1446461"	131.084417	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"236888"	486.430626	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1211785"	264.232226	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1196397"	132.619751	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"191823"	489.36796	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"629561"	711.56636	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1132701"	267.16956	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"175995"	245.187618	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"615194"	356.286818	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1117971"	134.088418	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1400760"	89.7280373333333	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1430686"	269.211146	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"220138"	250.22064	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1509175"	283.26319	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"409596"	253.174588	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"771685"	364.273788	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1668381"	142.075388	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"265849"	508.412568	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1240378"	286.214168	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1726349"	286.237693	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1192795"	97.0553513333333	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1665493"	291.193088	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"168458"	521.31584	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"611299"	743.51424	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1095814"	299.11744	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"153719"	261.161558	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"596442"	372.260758	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1074516"	150.062358	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1107725"	301.131992	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1348482"	301.219607	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1014828"	305.258776	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1534045"	306.252408	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"998309"	153.133026	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1591720"	307.167028	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420660"	337.198538	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1149855"	173.646301	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1698314"	354.225085	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1634198"	359.18048	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1583835"	375.15442	"C09621"	"(-)-alpha-Bisabolol;Levomenol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"804361"	310.178	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M"	0
"984457"	291.15961	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-H2O-H"	-19.01839
"71606"	205.778057333333	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M-3H"	-3.021828
"513352"	309.170724	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M-3H"	-3.021828
"885689"	102.385390666667	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-3H"	-3.021828
"8637"	309.170724	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M-2H"	-2.014552
"451478"	464.259724	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M-2H"	-2.014552
"821629"	154.081724	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-2H"	-2.014552
"90369"	619.348724	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M-H"	-1.007276
"528836"	929.526724	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M-H"	-1.007276
"902263"	309.170724	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-H"	-1.007276
"51171"	636.375271	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M-2H+NH4"	16.019271
"499602"	946.553271	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M-2H+NH4"	16.019271
"875093"	326.197271	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-2H+NH4"	16.019271
"39709"	641.330666	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M-2H+Na"	20.974666
"478178"	951.508666	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M-2H+Na"	20.974666
"854885"	331.152666	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-2H+Na"	20.974666
"1620042"	331.152666	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Na-2H"	20.974666
"95112"	327.159063	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M-H+Cl"	33.962126
"542699"	482.248063	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M-H+Cl"	33.962126
"934027"	172.070063	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-H+Cl"	33.962126
"274772"	655.325402	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+Cl"	34.969402
"673760"	965.503402	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+Cl"	34.969402
"1287134"	345.147402	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Cl"	34.969402
"27624"	657.304606	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M-2H+K"	36.948606
"462811"	967.482606	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M-2H+K"	36.948606
"838428"	347.126606	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-2H+K"	36.948606
"1563007"	347.126606	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+K-2H"	36.948606
"947612"	355.176194	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-H+HCOOH"	44.998194
"369838"	665.354201	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+HCOOH-H"	44.998201
"357002"	679.369851	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+Hac-H"	59.013851
"1506929"	369.191851	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Hac-H"	59.013851
"968274"	377.158151	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-H+NaCOOH"	66.980151
"120462"	345.147402	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+2Cl"	69.938804
"565332"	500.236402	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+2Cl"	69.938804
"1034292"	190.058402	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2Cl"	69.938804
"1256423"	389.096885	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Br"	78.918885
"1316682"	391.152872	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Cl+HCOOH"	80.974872
"1328346"	413.134829	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Cl+NaCOOH"	102.956829
"921227"	423.163586	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M-H+CF3COOH"	112.985586
"1296841"	459.140264	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Cl+CF3COOH"	148.962264
"1377555"	275.165324	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H-2H2O"	-35.012676
"1391771"	293.1753	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H-H2O"	-17.0027
"288177"	621.363276	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+H"	1.007276
"679505"	931.541276	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+H"	1.007276
"1359137"	311.185276	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H"	1.007276
"138225"	311.185276	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+2H"	2.014552
"573776"	466.274276	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+2H"	2.014552
"1046587"	156.096276	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2H"	2.014552
"211571"	207.792609333333	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+3H"	3.021828
"646029"	311.185276	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+3H"	3.021828
"1165248"	104.399942666667	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+3H"	3.021828
"426329"	638.389823	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+NH4"	18.033823
"786958"	948.567823	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+NH4"	18.033823
"1683655"	328.211823	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+NH4"	18.033823
"331933"	319.6985495	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+H+NH4"	19.041099
"727272"	474.7875495	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+H+NH4"	19.041099
"1478418"	164.6095495	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H+NH4"	19.041099
"400865"	643.345218	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+Na"	22.989218
"761860"	953.523218	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+Na"	22.989218
"1611052"	333.167218	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Na"	22.989218
"314640"	322.176247	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+H+Na"	23.996494
"707797"	477.265247	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+H+Na"	23.996494
"1462957"	167.087247	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H+Na"	23.996494
"1053524"	111.727256666667	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2H+Na"	25.00377
"1260440"	343.211486	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+CH3OH+H"	33.033486
"378287"	659.319158	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+K"	38.963158
"739027"	969.497158	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+K"	38.963158
"1540229"	349.141158	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+K"	38.963158
"298697"	330.163217	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+H+K"	39.970434
"692022"	485.252217	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+H+K"	39.970434
"1446204"	175.074217	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H+K"	39.970434
"236875"	662.389826	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+ACN+H"	42.033826
"1210105"	352.211826	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+ACN+H"	42.033826
"1199061"	176.609551	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+ACN+2H"	43.041102
"189133"	665.32716	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+2Na-H"	44.97116
"633681"	975.50516	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+2Na-H"	44.97116
"1132446"	355.14916	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2Na-H"	44.97116
"174282"	333.167218	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+2Na"	45.978436
"615668"	488.256218	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+2Na"	45.978436
"1117349"	178.078218	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2Na"	45.978436
"1400505"	119.054570666667	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H+2Na"	46.985712
"1430430"	357.190746	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H+HCOOH"	47.012746
"220854"	338.20024	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+3H2O+2H"	56.04448
"1508755"	371.24279	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+IsoProp+H"	61.06479
"409695"	341.154188	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+Na+K"	61.952376
"770330"	496.243188	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+Na+K"	61.952376
"1666786"	186.065188	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Na+K"	61.952376
"263770"	684.371768	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+ACN+Na"	64.015768
"1240124"	374.193768	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+ACN+Na"	64.015768
"1726459"	374.217293	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+NH4+HCOOH"	64.039293
"1192784"	126.381884666667	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+3Na"	68.967654
"1665316"	379.172688	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Na+HCOOH"	68.994688
"165287"	697.27504	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+2K-H"	76.91904
"608129"	1007.45304	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+2K-H"	76.91904
"1096895"	387.09704	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2K-H"	76.91904
"153829"	349.141158	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"2M+2K"	77.926316
"594487"	504.230158	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"3M+2K"	77.926316
"1075719"	194.052158	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2K"	77.926316
"1107835"	389.111592	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2K+H"	78.933592
"1347498"	389.199207	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+DMSO+H"	79.021207
"1019310"	393.238376	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2ACN+H"	83.060376
"1534156"	394.232008	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+IsoProp+Na+H"	84.054008
"998415"	197.122826	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+2ACN+2H"	84.067652
"1592923"	395.146628	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+K+HCOOH"	84.968628
"1420770"	425.178138	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+H+CF3COOH"	115.000138
"1149965"	217.636101	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+3ACN+2H"	125.094202
"1699516"	442.204685	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+NH4+CF3COOH"	132.026685
"1634439"	447.16008	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+Na+CF3COOH"	136.98208
"1583945"	463.13402	"C09622"	"Botrydial"	"C17H26O5"	"310.178"	"M+K+CF3COOH"	152.95602
"804471"	276.1725	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M"	0
"984567"	257.15411	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-H2O-H"	-19.01839
"71716"	183.107724	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M-3H"	-3.021828
"516378"	275.165224	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M-3H"	-3.021828
"885799"	91.050224	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-3H"	-3.021828
"8747"	275.165224	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M-2H"	-2.014552
"443933"	413.251474	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M-2H"	-2.014552
"827202"	137.078974	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-2H"	-2.014552
"89382"	551.337724	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M-H"	-1.007276
"531129"	827.510224	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M-H"	-1.007276
"907836"	275.165224	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-H"	-1.007276
"56743"	568.364271	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M-2H+NH4"	16.019271
"500556"	844.536771	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M-2H+NH4"	16.019271
"874105"	292.191771	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-2H+NH4"	16.019271
"44196"	573.319666	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M-2H+Na"	20.974666
"480474"	849.492166	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M-2H+Na"	20.974666
"853169"	297.147166	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-2H+Na"	20.974666
"1622338"	297.147166	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Na-2H"	20.974666
"97410"	293.153563	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M-H+Cl"	33.962126
"537342"	431.239813	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M-H+Cl"	33.962126
"929763"	155.067313	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-H+Cl"	33.962126
"269413"	587.314402	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+Cl"	34.969402
"673629"	863.486902	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+Cl"	34.969402
"1284084"	311.141902	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Cl"	34.969402
"23360"	589.293606	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M-2H+K"	36.948606
"457453"	865.466106	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M-2H+K"	36.948606
"835257"	313.121106	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-2H+K"	36.948606
"1560931"	313.121106	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+K-2H"	36.948606
"947722"	321.170694	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-H+HCOOH"	44.998194
"365937"	597.343201	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+HCOOH-H"	44.998201
"357476"	611.358851	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+Hac-H"	59.013851
"1505826"	335.186351	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Hac-H"	59.013851
"970936"	343.152651	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-H+NaCOOH"	66.980151
"120572"	311.141902	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+2Cl"	69.938804
"562687"	449.228152	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+2Cl"	69.938804
"1033312"	173.055652	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2Cl"	69.938804
"1255073"	355.091385	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Br"	78.918885
"1316426"	357.147372	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Cl+HCOOH"	80.974872
"1327362"	379.129329	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Cl+NaCOOH"	102.956829
"918419"	389.158086	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M-H+CF3COOH"	112.985586
"1295129"	425.134764	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Cl+CF3COOH"	148.962264
"1377665"	241.159824	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H-2H2O"	-35.012676
"1391881"	259.1698	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H-H2O"	-17.0027
"289381"	553.352276	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+H"	1.007276
"679615"	829.524776	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+H"	1.007276
"1358153"	277.179776	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H"	1.007276
"137972"	277.179776	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+2H"	2.014552
"576072"	415.266026	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+2H"	2.014552
"1047792"	139.093526	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2H"	2.014552
"211681"	185.122276	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+3H"	3.021828
"649055"	277.179776	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+3H"	3.021828
"1164994"	93.064776	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+3H"	3.021828
"427532"	570.378823	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+NH4"	18.033823
"790349"	846.551323	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+NH4"	18.033823
"1684493"	294.206323	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+NH4"	18.033823
"334959"	285.6930495	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+H+NH4"	19.041099
"730662"	423.7792995	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+H+NH4"	19.041099
"1478650"	147.6067995	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H+NH4"	19.041099
"400975"	575.334218	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+Na"	22.989218
"761970"	851.506718	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+Na"	22.989218
"1606060"	299.161718	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Na"	22.989218
"315367"	288.170747	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+H+Na"	23.996494
"707908"	426.256997	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+H+Na"	23.996494
"1464161"	150.084497	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H+Na"	23.996494
"1053391"	100.39209	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2H+Na"	25.00377
"1257336"	309.205986	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+CH3OH+H"	33.033486
"377530"	591.308158	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+K"	38.963158
"738895"	867.480658	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+K"	38.963158
"1540300"	315.135658	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+K"	38.963158
"299710"	296.157717	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+H+K"	39.970434
"692009"	434.243967	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+H+K"	39.970434
"1446802"	158.071467	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H+K"	39.970434
"236620"	594.378826	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+ACN+H"	42.033826
"1211149"	318.206326	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+ACN+H"	42.033826
"1198806"	159.606801	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+ACN+2H"	43.041102
"189606"	597.31616	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+2Na-H"	44.97116
"633791"	873.48866	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+2Na-H"	44.97116
"1133648"	321.14366	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2Na-H"	44.97116
"173784"	299.161718	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+2Na"	45.978436
"616870"	437.247968	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+2Na"	45.978436
"1117820"	161.075468	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2Na"	45.978436
"1400979"	107.719404	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H+2Na"	46.985712
"1430906"	323.185246	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H+HCOOH"	47.012746
"222423"	304.19474	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+3H2O+2H"	56.04448
"1510122"	337.23729	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+IsoProp+H"	61.06479
"411265"	307.148688	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+Na+K"	61.952376
"770805"	445.234938	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+Na+K"	61.952376
"1667137"	169.062438	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Na+K"	61.952376
"262788"	616.360768	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+ACN+Na"	64.015768
"1239142"	340.188268	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+ACN+Na"	64.015768
"1724384"	340.211793	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+NH4+HCOOH"	64.039293
"1192651"	115.046718	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+3Na"	68.967654
"1664857"	345.167188	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Na+HCOOH"	68.994688
"169771"	629.26404	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+2K-H"	76.91904
"612129"	905.43654	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+2K-H"	76.91904
"1097126"	353.09154	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2K-H"	76.91904
"152846"	315.135658	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"2M+2K"	77.926316
"594597"	453.221908	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"3M+2K"	77.926316
"1078016"	177.049408	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2K"	77.926316
"1111225"	355.106092	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2K+H"	78.933592
"1350773"	355.193707	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+DMSO+H"	79.021207
"1019908"	359.232876	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2ACN+H"	83.060376
"1533173"	360.226508	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+IsoProp+Na+H"	84.054008
"998525"	180.120076	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+2ACN+2H"	84.067652
"1591941"	361.141128	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+K+HCOOH"	84.968628
"1419787"	391.172638	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+H+CF3COOH"	115.000138
"1150076"	200.633351	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+3ACN+2H"	125.094202
"1705094"	408.199185	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+NH4+CF3COOH"	132.026685
"1635279"	413.15458	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+Na+CF3COOH"	136.98208
"1584055"	429.12852	"C09623"	"Buddledin A"	"C17H24O3"	"276.1725"	"M+K+CF3COOH"	152.95602
"804581"	622.3043	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M"	0
"981397"	603.28591	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-H2O-H"	-19.01839
"71826"	413.862257333333	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M-3H"	-3.021828
"517583"	621.297024	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M-3H"	-3.021828
"885909"	206.427490666667	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-3H"	-3.021828
"4484"	621.297024	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M-2H"	-2.014552
"445136"	932.449174	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M-2H"	-2.014552
"827312"	310.144874	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-2H"	-2.014552
"81110"	1243.601324	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M-H"	-1.007276
"532334"	1865.905624	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M-H"	-1.007276
"910012"	621.297024	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-H"	-1.007276
"61227"	1260.627871	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M-2H+NH4"	16.019271
"494227"	1882.932171	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M-2H+NH4"	16.019271
"875309"	638.323571	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-2H+NH4"	16.019271
"44306"	1265.583266	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M-2H+Na"	20.974666
"478398"	1887.887566	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M-2H+Na"	20.974666
"853644"	643.278966	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-2H+Na"	20.974666
"1623177"	643.278966	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Na-2H"	20.974666
"96061"	639.285363	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M-H+Cl"	33.962126
"539640"	950.437513	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M-H+Cl"	33.962126
"933153"	328.133213	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-H+Cl"	33.962126
"269887"	1279.578002	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+Cl"	34.969402
"673617"	1901.882302	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+Cl"	34.969402
"1282007"	657.273702	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Cl"	34.969402
"20191"	1281.557206	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M-2H+K"	36.948606
"461939"	1903.861506	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M-2H+K"	36.948606
"841928"	659.252906	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-2H+K"	36.948606
"1561041"	659.252906	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+K-2H"	36.948606
"946737"	667.302494	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-H+HCOOH"	44.998194
"371515"	1289.606801	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+HCOOH-H"	44.998201
"348836"	1303.622451	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+Hac-H"	59.013851
"1500950"	681.318151	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Hac-H"	59.013851
"966304"	689.284451	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-H+NaCOOH"	66.980151
"120679"	657.273702	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+2Cl"	69.938804
"558053"	968.425852	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+2Cl"	69.938804
"1031227"	346.121552	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2Cl"	69.938804
"1251902"	701.223185	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Br"	78.918885
"1313252"	703.279172	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Cl+HCOOH"	80.974872
"1329658"	725.261129	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Cl+NaCOOH"	102.956829
"921809"	735.289886	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M-H+CF3COOH"	112.985586
"1294146"	771.266564	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Cl+CF3COOH"	148.962264
"1371212"	587.291624	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H-2H2O"	-35.012676
"1392723"	605.3016	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H-H2O"	-17.0027
"289491"	1245.615876	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+H"	1.007276
"678632"	1867.920176	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+H"	1.007276
"1354982"	623.311576	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H"	1.007276
"133338"	623.311576	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+2H"	2.014552
"572902"	934.463726	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+2H"	2.014552
"1049725"	312.159426	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2H"	2.014552
"208511"	415.876809333333	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+3H"	3.021828
"652445"	623.311576	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+3H"	3.021828
"1165104"	208.442042666667	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+3H"	3.021828
"426914"	1262.642423	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+NH4"	18.033823
"791551"	1884.946723	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+NH4"	18.033823
"1686060"	640.338123	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+NH4"	18.033823
"337254"	631.8248495	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+H+NH4"	19.041099
"728585"	942.9769995	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+H+NH4"	19.041099
"1479853"	320.6726995	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H+NH4"	19.041099
"403272"	1267.597818	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+Na"	22.989218
"759893"	1889.902118	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+Na"	22.989218
"1610179"	645.293518	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Na"	22.989218
"316569"	634.302547	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+H+Na"	23.996494
"708626"	945.454697	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+H+Na"	23.996494
"1463541"	323.150397	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H+Na"	23.996494
"1052933"	215.769356666667	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2H+Na"	25.00377
"1257079"	655.337786	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+CH3OH+H"	33.033486
"378127"	1283.571758	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+K"	38.963158
"741686"	1905.876058	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+K"	38.963158
"1540575"	661.267458	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+K"	38.963158
"302736"	642.289517	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+H+K"	39.970434
"695157"	953.441667	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+H+K"	39.970434
"1447159"	331.137367	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H+K"	39.970434
"237584"	1286.642426	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+ACN+H"	42.033826
"1211749"	664.338126	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+ACN+H"	42.033826
"1195634"	332.672701	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+ACN+2H"	43.041102
"189111"	1289.57976	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+2Na-H"	44.97116
"633901"	1911.88406	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+2Na-H"	44.97116
"1132180"	667.27546	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2Na-H"	44.97116
"173772"	645.293518	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+2Na"	45.978436
"616252"	956.445668	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+2Na"	45.978436
"1116472"	334.141368	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2Na"	45.978436
"1399753"	223.096670666667	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H+2Na"	46.985712
"1431017"	669.317046	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H+HCOOH"	47.012746
"221202"	650.32654	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+3H2O+2H"	56.04448
"1509504"	683.36909	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+H"	61.06479
"410647"	653.280488	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+Na+K"	61.952376
"770669"	964.432638	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+Na+K"	61.952376
"1667248"	342.128338	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Na+K"	61.952376
"261805"	1308.624368	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+ACN+Na"	64.015768
"1236700"	686.320068	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+ACN+Na"	64.015768
"1722670"	686.343593	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+NH4+HCOOH"	64.039293
"1190576"	230.423984666667	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+3Na"	68.967654
"1663020"	691.298988	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Na+HCOOH"	68.994688
"171582"	1321.52764	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+2K-H"	76.91904
"610537"	1943.83194	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+2K-H"	76.91904
"1097236"	699.22334	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2K-H"	76.91904
"155995"	661.267458	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"2M+2K"	77.926316
"593613"	972.419608	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"3M+2K"	77.926316
"1078126"	350.115308	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2K"	77.926316
"1111335"	701.237892	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2K+H"	78.933592
"1350517"	701.325507	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+DMSO+H"	79.021207
"1018436"	705.364676	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2ACN+H"	83.060376
"1532190"	706.358308	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+Na+H"	84.054008
"999728"	353.185976	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+2ACN+2H"	84.067652
"1593145"	707.272928	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+K+HCOOH"	84.968628
"1419897"	737.304438	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+H+CF3COOH"	115.000138
"1150186"	373.699251	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+3ACN+2H"	125.094202
"1703017"	754.330985	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+NH4+CF3COOH"	132.026685
"1636483"	759.28638	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+Na+CF3COOH"	136.98208
"1584165"	775.26032	"C09624"	"Rodiasine"	"C38H42N2O6"	"622.3043"	"M+K+CF3COOH"	152.95602
"807971"	204.1878	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M"	0
"980412"	185.16941	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"69750"	135.117924	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"510401"	203.180524	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"889299"	67.055324	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6781"	203.180524	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"450715"	305.274424	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"819039"	101.086624	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"87415"	407.368324	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"528069"	611.556124	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"910122"	203.180524	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61824"	424.394871	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"492151"	628.582671	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873232"	220.207071	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37856"	429.350266	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"477415"	633.538066	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"850838"	225.162466	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1621465"	225.162466	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"95076"	221.168863	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538657"	323.262763	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931077"	119.074963	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269997"	443.345002	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664245"	647.532802	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1279931"	239.157202	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"20301"	445.324206	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"462049"	649.512006	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"839851"	241.136406	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1561151"	241.136406	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"946847"	249.185994	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371625"	453.373801	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"348946"	467.389451	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1501060"	263.201651	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965321"	271.167951	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120789"	239.157202	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"559256"	341.251102	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1033523"	137.063302	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1250918"	283.106685	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1312269"	285.162672	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1329768"	307.144629	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"919732"	317.173386	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1291338"	353.150064	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372414"	169.175124	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1388822"	187.1851	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"287414"	409.382876	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"679835"	613.570676	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356185"	205.195076	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"131261"	205.195076	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573012"	307.288976	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1048376"	103.101176	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"205705"	137.132476	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"649275"	205.195076	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1163755"	69.069876	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"427389"	426.409423	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"788017"	630.597223	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684713"	222.221623	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"334448"	213.7083495	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"726508"	315.8022495	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1479234"	111.6144495	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"398279"	431.364818	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"757815"	635.552618	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1610288"	227.177018	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"322512"	216.186047	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707521"	318.279947	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461343"	114.092147	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1052781"	76.39719	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257111"	237.221286	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377627"	447.338758	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"741066"	651.526558	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1539995"	243.150958	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"298875"	224.173017	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"693446"	326.266917	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447630"	122.079117	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"236962"	450.409426	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210521"	246.221626	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195014"	123.614451	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"189056"	453.34676	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"634013"	657.53456	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1134600"	249.15896	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173880"	227.177018	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"613681"	329.270918	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1116456"	125.083118	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1399252"	83.724504	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1430354"	251.200546	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"221431"	232.21004	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1509249"	265.25259	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"408768"	235.163988	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"770252"	337.257888	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1666624"	133.070088	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260819"	472.391368	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1236810"	268.203568	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1722051"	268.227093	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1188498"	91.051818	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1663130"	273.182488	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"171449"	485.29464	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609554"	689.48244	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097346"	281.10684	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"155741"	243.150958	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"592629"	345.244858	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1076050"	141.057058	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111445"	283.121392	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349652"	283.209007	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1018546"	287.248176	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531207"	288.241808	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"999838"	144.127726	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593255"	289.156428	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1420007"	319.187938	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1153577"	164.641001	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1703127"	336.214485	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1636593"	341.16988	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1584275"	357.14382	"C09625"	"beta-Cadinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"808085"	248.1412	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M"	0
"981620"	229.12281	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"67674"	164.420190666667	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"507234"	247.133924	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"881755"	81.7064573333333	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"10171"	247.133924	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"448642"	371.204524	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"824258"	123.063324	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"88621"	495.275124	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"532552"	743.416324	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"909629"	247.133924	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"60355"	512.301671	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"495543"	760.442871	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"879177"	264.160471	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"41246"	517.257066	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"479713"	765.398266	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"855325"	269.115866	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1628140"	269.115866	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"95554"	265.122263	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"538767"	389.192863	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"929000"	141.051663	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"271930"	531.251802	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"666541"	779.393002	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1282229"	283.110602	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"18224"	533.231006	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"459971"	781.372206	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"836680"	285.089806	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1561261"	285.089806	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"946957"	293.139394	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"373924"	541.280601	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"347235"	555.296251	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1500077"	307.155051	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"967618"	315.121351	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"118713"	283.110602	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"562649"	407.181202	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1032542"	159.040002	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1254309"	327.060085	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1313475"	329.116072	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1328785"	351.098029	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"923852"	361.126786	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1294363"	397.103464	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1371430"	213.128524	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1392212"	231.1385	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"287524"	497.289676	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"678122"	745.430876	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1354107"	249.148476	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"131371"	249.148476	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"568747"	373.219076	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1048486"	125.077876	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"205936"	166.434742666667	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"649385"	249.148476	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1165323"	83.7210093333333	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"427500"	514.316223	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"787396"	762.457423	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1684092"	266.175023	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"332374"	257.6617495	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"725524"	381.7323495	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1477763"	133.5911495	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"396928"	519.271618	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"757925"	767.412818	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1610398"	271.130418	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"314723"	260.139447	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"707383"	384.210047	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1461769"	136.068847	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1052950"	91.0483233333333	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1257745"	281.174686	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"377208"	535.245558	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"739718"	783.386758	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1540312"	287.104358	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"299674"	268.126417	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"691772"	392.197017	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1446285"	144.055817	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"237440"	538.316226	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1210146"	290.175026	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1194477"	145.591151	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"189819"	541.25356	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"634123"	789.39476	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1134467"	293.11236	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"175328"	271.130418	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"613918"	395.201018	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1116936"	147.059818	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1399483"	98.3756373333333	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1431601"	295.153946	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"221662"	276.16344	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1510089"	309.20599	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"410137"	279.117388	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"771497"	403.187988	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1667098"	155.046788	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"262389"	560.298168	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1233639"	312.156968	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1721432"	312.180493	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1187880"	105.702951333333	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1661783"	317.135888	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"167918"	573.20144	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"609664"	821.34264	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1096363"	325.06024	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"148806"	287.104358	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"589461"	411.174958	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1073974"	163.033758	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1108276"	327.074792	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1341379"	327.162407	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1012095"	331.201576	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1531317"	332.195208	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"995575"	166.104426	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1593362"	333.109828	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1419025"	363.141338	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1150407"	186.617701	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1698864"	380.167885	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1634879"	385.12328	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1572714"	401.09722	"C09626"	"Canellal;Muzigadial"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"813659"	236.1776	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M"	0
"984645"	217.15921	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"73980"	156.444457333333	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"505159"	235.170324	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"888425"	77.7185906666667	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"7003"	235.170324	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"450939"	353.259124	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"824368"	117.081524	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"85453"	471.347924	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"527197"	707.525524	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"908645"	235.170324	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"55000"	488.374471	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"497841"	724.552071	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"876376"	252.196871	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"43543"	493.329866	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"475451"	729.507466	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"854344"	257.152266	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1628252"	257.152266	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"95178"	253.158663	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"539974"	371.247463	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"935674"	135.069863	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"276417"	507.324602	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"664465"	743.502202	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1281243"	271.147002	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"21613"	509.303806	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"462268"	745.481406	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"837883"	273.126206	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1561371"	273.126206	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"946336"	281.175794	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"367470"	517.353401	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"356823"	531.369051	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1501283"	295.191451	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"965542"	303.157751	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"117731"	271.147002	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"563852"	389.235802	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1034113"	153.058202	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1254058"	315.096485	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1316867"	317.152472	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1327802"	339.134429	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"916673"	349.163186	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1292288"	385.139864	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1372637"	201.164924	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1392322"	219.1749	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"290915"	473.362476	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"681150"	709.540076	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1357498"	237.184876	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"133668"	237.184876	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"572137"	355.273676	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1047137"	119.096076	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"206654"	158.459009333333	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"650588"	237.184876	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1166528"	79.7331426666667	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"425788"	490.389023	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"787144"	726.566623	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1682749"	254.211423	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"333579"	245.6981495	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"724784"	363.7869495	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1478728"	127.6093495	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"400321"	495.344418	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"755117"	731.522018	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1606500"	259.166818	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"315077"	248.175847	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"707452"	366.264647	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1462158"	130.087047	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1057120"	87.0604566666667	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1257212"	269.211086	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"380289"	511.318358	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"743108"	747.495958	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1542610"	275.140758	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"301973"	256.162817	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"692936"	374.251617	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1447121"	138.074017	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"236813"	514.389026	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1210981"	278.211426	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1195235"	139.609351	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"189199"	517.32636	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"634233"	753.50396	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1133726"	281.14876	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"174467"	259.166818	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"615126"	377.255618	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1116198"	141.078018	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1400079"	94.3877706666667	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1430379"	283.190346	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"220359"	264.19984	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1510200"	297.24239	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"411344"	267.153788	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"771243"	385.242588	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1666846"	149.064988	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"261772"	536.370968	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1235575"	300.193368	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1723732"	300.216893	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1191515"	101.715084666667	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1662259"	305.172288	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"169122"	549.27424	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"608682"	785.45184	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1095381"	313.09664	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"152197"	275.140758	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"596011"	393.229558	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1081738"	157.051958	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1107293"	315.111192	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1344768"	315.198807	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1015486"	319.237976	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1536894"	320.231608	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"997874"	160.122626	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1598939"	321.146228	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1419135"	351.177738	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1149424"	180.635901	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1700070"	368.204285	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1635719"	373.15968	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1572460"	389.13362	"C09627"	"Capsidiol"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"805021"	222.1984	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M"	0
"985118"	203.18001	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"74456"	147.124990666667	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"505267"	221.191124	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"888534"	73.0588573333333	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"10392"	221.191124	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"449954"	332.290324	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"824477"	110.091924	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"84469"	443.389524	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"531679"	665.587924	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"909481"	221.191124	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"58390"	460.416071	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"489204"	682.614471	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"870285"	238.217671	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"38186"	465.371466	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"475561"	687.569866	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"855547"	243.173066	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1625081"	243.173066	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"96139"	239.179463	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"541177"	350.278663	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"936877"	128.080263	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"276527"	479.366202	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"665668"	701.564602	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1281353"	257.167802	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"21723"	481.345406	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"462378"	703.543806	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"841274"	259.147006	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1561481"	259.147006	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"953737"	267.196594	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"368672"	489.395001	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"351097"	503.410651	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1500296"	281.212251	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"965650"	289.178551	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"118933"	257.167802	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"560681"	368.267002	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1032761"	146.068602	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1253437"	301.117285	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1316977"	303.173272	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1331192"	325.155229	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"918970"	335.183986	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1293491"	371.160664	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1370558"	187.185724	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1388057"	205.1957	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"293213"	445.404076	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"679436"	667.602476	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1357608"	223.205676	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"132684"	223.205676	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"572246"	334.304876	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1047611"	112.106476	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"207128"	149.139542666667	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"649605"	223.205676	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1168825"	75.0734093333333	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"426993"	462.430623	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"787619"	684.629023	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1686140"	240.232223	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"331862"	231.7189495	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"725381"	342.8181495	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1478474"	120.6197495	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"398243"	467.386018	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"757052"	689.584418	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1603816"	245.187618	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"315553"	234.196647	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"707484"	345.295847	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1461346"	123.097447	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1056137"	82.4007233333333	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1258907"	255.231886	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"381494"	483.359958	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"741031"	705.558358	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1542355"	261.161558	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"300624"	242.183617	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"694870"	353.282817	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1447962"	131.084417	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"236927"	486.430626	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1210724"	264.232226	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1195460"	132.619751	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"191133"	489.36796	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"630087"	711.56636	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1134202"	267.16956	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"174093"	245.187618	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"613654"	356.286818	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1116547"	134.088418	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1398976"	89.7280373333333	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1430609"	269.211146	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"221159"	250.22064	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1509947"	283.26319	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"409270"	253.174588	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"771113"	364.273788	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1667321"	142.075388	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"261153"	508.412568	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1234956"	286.214168	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1723842"	286.237693	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1190288"	97.0553513333333	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1661276"	291.193088	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"169232"	521.31584	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"612076"	743.51424	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1095491"	299.11744	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"151214"	261.161558	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"596242"	372.260758	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1080755"	150.062358	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1112870"	301.131992	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1344879"	301.219607	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1016690"	305.258776	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1537003"	306.252408	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"999077"	153.133026	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1597954"	307.167028	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1417057"	337.198538	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1149533"	173.646301	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1700180"	354.225085	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1635829"	359.18048	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1571516"	375.15442	"C09628"	"Carotol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"805131"	204.1878	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M"	0
"985228"	185.16941	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75658"	135.117924	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"510846"	203.180524	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"886459"	67.055324	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"10502"	203.180524	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452251"	305.274424	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"827867"	101.086624	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"87854"	407.368324	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"523039"	611.556124	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"905217"	203.180524	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61900"	424.394871	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499151"	628.582671	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"868206"	220.207071	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"35017"	429.350266	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"482232"	633.538066	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858938"	225.162466	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1626284"	225.162466	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"100624"	221.168863	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"543473"	323.262763	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"935894"	119.074963	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"279917"	443.345002	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"665779"	647.532802	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1283649"	239.157202	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"25114"	445.324206	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464672"	649.512006	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"841384"	241.136406	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562684"	241.136406	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"951661"	249.185994	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368783"	453.373801	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"350114"	467.389451	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499313"	263.201651	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965760"	271.167951	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"117949"	239.157202	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"561159"	341.251102	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1033240"	137.063302	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252819"	283.106685	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1315993"	285.162672	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1324742"	307.144629	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"919080"	317.173386	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1295787"	353.150064	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1371761"	169.175124	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1390355"	187.1851	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"288947"	409.382876	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"681370"	613.570676	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356626"	205.195076	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H"	1.007276
"129513"	205.195076	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"572356"	307.288976	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1047721"	103.101176	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"210153"	137.132476	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"647528"	205.195076	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1170028"	69.069876	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"430019"	426.409423	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"787727"	630.597223	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684062"	222.221623	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"331975"	213.7083495	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"724758"	315.8022495	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480037"	111.6144495	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396529"	431.364818	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758253"	635.552618	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603801"	227.177018	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"316756"	216.186047	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707588"	318.279947	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463365"	114.092147	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1056976"	76.39719	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1259748"	237.221286	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379053"	447.338758	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"741505"	651.526558	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1542830"	243.150958	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300735"	224.173017	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"693524"	326.266917	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447706"	122.079117	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"238135"	450.409426	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1213391"	246.221626	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1196910"	123.614451	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"190513"	453.34676	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"630804"	657.53456	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1134308"	249.15896	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"174082"	227.177018	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"614007"	329.270918	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1117267"	125.083118	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1401271"	83.724504	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1432657"	251.200546	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"221997"	232.21004	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510421"	265.25259	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"410837"	235.163988	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"771829"	337.257888	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1667553"	133.070088	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260170"	472.391368	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1235065"	268.203568	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1723223"	268.227093	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1189670"	91.051818	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661384"	273.182488	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"170435"	485.29464	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"611088"	689.48244	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1096694"	281.10684	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151324"	243.150958	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"594165"	345.244858	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079772"	141.057058	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1112978"	283.121392	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344988"	283.209007	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1018986"	287.248176	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1532740"	288.241808	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004655"	144.127726	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598063"	289.156428	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417167"	319.187938	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148550"	164.641001	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1700289"	336.214485	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1634846"	341.16988	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1571585"	357.14382	"C09629"	"beta-Caryophyllene;Caryophyllene;(-)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"805241"	204.1878	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M"	0
"978776"	185.16941	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75768"	135.117924	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"510956"	203.180524	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"887662"	67.055324	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13891"	203.180524	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"449079"	305.274424	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"827976"	101.086624	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"87969"	407.368324	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"525336"	611.556124	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"903140"	203.180524	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"58606"	424.394871	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499261"	628.582671	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"869411"	220.207071	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"38407"	429.350266	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"480155"	633.538066	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854674"	225.162466	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1629675"	225.162466	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99642"	221.168863	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"545769"	323.262763	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"937097"	119.074963	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"280027"	443.345002	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"665889"	647.532802	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1284852"	239.157202	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"19757"	445.324206	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"462595"	649.512006	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"845867"	241.136406	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1566074"	241.136406	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"954687"	249.185994	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368893"	453.373801	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"350954"	467.389451	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499423"	263.201651	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965870"	271.167951	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120245"	239.157202	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562362"	341.251102	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1034442"	137.063302	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252562"	283.106685	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1315010"	285.162672	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1324852"	307.144629	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920284"	317.173386	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1295897"	353.150064	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372964"	169.175124	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1390465"	187.1851	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"285776"	409.382876	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"680750"	613.570676	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356736"	205.195076	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128163"	205.195076	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"572466"	307.288976	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1042364"	103.101176	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206983"	137.132476	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"649824"	205.195076	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1170137"	69.069876	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"428306"	426.409423	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"787106"	630.597223	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1683078"	222.221623	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"331357"	213.7083495	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"723651"	315.8022495	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1479420"	111.6144495	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"393842"	431.364818	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"755447"	635.552618	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603057"	227.177018	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"314917"	216.186047	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707166"	318.279947	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1462867"	114.092147	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1055628"	76.39719	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258766"	237.221286	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379163"	447.338758	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"738942"	651.526558	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540263"	243.150958	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299388"	224.173017	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"691808"	326.266917	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1446486"	122.079117	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"237024"	450.409426	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1213865"	246.221626	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195314"	123.614451	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"190985"	453.34676	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"629822"	657.53456	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1134057"	249.15896	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"174921"	227.177018	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"613871"	329.270918	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1116891"	125.083118	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1399559"	83.724504	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1431189"	251.200546	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"221008"	232.21004	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1512357"	265.25259	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"410948"	235.163988	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"771575"	337.257888	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1667540"	133.070088	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"261373"	472.391368	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1236268"	268.203568	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1725519"	268.227093	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190872"	91.051818	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1663681"	273.182488	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"168359"	485.29464	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"610105"	689.48244	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097897"	281.10684	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"152527"	243.150958	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"595247"	345.244858	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080975"	141.057058	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1115283"	283.121392	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349596"	283.209007	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1020802"	287.248176	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1536129"	288.241808	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1005133"	144.127726	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1599267"	289.156428	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1418370"	319.187938	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1151938"	164.641001	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1701490"	336.214485	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637140"	341.16988	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1572059"	357.14382	"C09630"	"alpha-Cedrene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"814099"	222.1984	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M"	0
"978886"	203.18001	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"78542"	147.124990666667	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"516533"	221.191124	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"895541"	73.0588573333333	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"14001"	221.191124	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"451376"	332.290324	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"830277"	110.091924	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"90998"	443.389524	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"528728"	665.587924	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"910905"	221.191124	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"61877"	460.416071	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"502051"	682.614471	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"873898"	238.217671	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"41798"	465.371466	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"484642"	687.569866	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"854784"	243.173066	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1629785"	243.173066	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"101939"	239.179463	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"544787"	350.278663	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"938668"	128.080263	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"280137"	479.366202	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"669280"	701.564602	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1282776"	257.167802	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"29346"	481.345406	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"466717"	703.543806	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"842698"	259.147006	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1569101"	259.147006	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"950788"	267.196594	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"373380"	489.395001	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"357264"	503.410651	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1503907"	281.212251	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"967074"	289.178551	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"119263"	257.167802	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"563201"	368.267002	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1033823"	146.068602	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1255955"	301.117285	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1312933"	303.173272	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1326055"	325.155229	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"919301"	335.183986	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1293822"	371.160664	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1373075"	187.185724	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1390575"	205.1957	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"290262"	445.404076	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"683778"	667.602476	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1356846"	223.205676	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"131922"	223.205676	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"569297"	334.304876	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1041381"	112.106476	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"206243"	149.139542666667	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"653217"	223.205676	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1168061"	75.0734093333333	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"429146"	462.430623	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790140"	684.629023	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1685376"	240.232223	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"331832"	231.7189495	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"724618"	342.8181495	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1477136"	120.6197495	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"392982"	467.386018	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"756655"	689.584418	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1603417"	245.187618	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"315275"	234.196647	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"707100"	345.295847	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1463950"	123.097447	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1054766"	82.4007233333333	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1258268"	255.231886	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"379639"	483.359958	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"739539"	705.558358	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1540861"	261.161558	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"299253"	242.183617	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"692039"	353.282817	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1445661"	131.084417	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"236895"	486.430626	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1211054"	264.232226	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1196031"	132.619751	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"190366"	489.36796	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"629929"	711.56636	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1132710"	267.16956	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"173205"	245.187618	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"613169"	356.286818	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1115652"	134.088418	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1399060"	89.7280373333333	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1429930"	269.211146	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"220389"	250.22064	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1508859"	283.26319	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"409031"	253.174588	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"770591"	364.273788	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1665826"	142.075388	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"264395"	508.412568	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1236377"	286.214168	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1726723"	286.237693	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1193616"	97.0553513333333	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1665089"	291.193088	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"169561"	521.31584	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"610588"	743.51424	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1099758"	299.11744	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"154824"	261.161558	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"596859"	372.260758	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1082178"	150.062358	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1111013"	301.131992	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1348489"	301.219607	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1019086"	305.258776	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1536240"	306.252408	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1002689"	153.133026	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1596098"	307.167028	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420667"	337.198538	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1150955"	173.646301	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1701600"	354.225085	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1635792"	359.18048	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1572171"	375.15442	"C09631"	"alpha-Cedrol;Cedrol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"805461"	238.1933	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M"	0
"985557"	219.17491	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"71613"	157.788257333333	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"518335"	237.186024	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"895419"	78.3904906666667	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"15328"	237.186024	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"454043"	356.282674	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"830751"	118.089374	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"91473"	475.379324	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"529575"	713.572624	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"909683"	237.186024	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"60294"	492.405871	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"501672"	730.599171	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"870729"	254.212571	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"44462"	497.361266	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"485117"	735.554566	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"855987"	259.167966	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1629895"	259.167966	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"102048"	255.174363	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"537236"	374.271013	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"940602"	136.077713	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"279524"	511.356002	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"670484"	749.549302	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1282888"	273.162702	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"27999"	513.335206	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"469744"	751.528506	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"842808"	275.141906	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1567389"	275.141906	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"954178"	283.191494	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"372396"	521.384801	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"358470"	535.400451	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1501834"	297.207151	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"971564"	305.173451	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"124360"	273.162702	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"564410"	392.259352	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1035030"	154.066052	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1256557"	317.112185	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1311222"	319.168172	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1328353"	341.150129	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"918318"	351.178886	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1296120"	387.155564	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1374279"	203.180624	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1393603"	221.1906	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"289280"	477.393876	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"681700"	715.587176	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1362059"	239.200576	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"134586"	239.200576	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"575972"	358.297226	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1041493"	120.103926	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"209396"	159.802809333333	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"651143"	239.200576	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1171453"	80.4050426666667	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"430352"	494.420423	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"793532"	732.613723	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1683306"	256.227123	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"330240"	247.7138495	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"723030"	366.8104995	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1478918"	128.6171995	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"392937"	499.375818	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"754274"	737.569118	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1604865"	261.182518	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"314531"	250.191547	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"707159"	369.288197	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1461380"	131.094897	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1054026"	87.7323566666667	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1259348"	271.226786	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"377921"	515.349758	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"740015"	753.543058	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1541701"	277.156458	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"300335"	258.178517	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"693121"	377.275167	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1446948"	139.081867	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"237001"	518.420426	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1210921"	280.227126	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1195419"	140.617201	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"191207"	521.35776	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"628946"	759.55106	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1133185"	283.16446	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"174286"	261.182518	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"613484"	380.279168	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1115844"	142.085868	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1399049"	95.0596706666667	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1431164"	285.206046	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"220372"	266.21554	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1508804"	299.25809	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"409096"	269.169488	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"770617"	388.266138	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1665648"	150.072838	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"259400"	540.402368	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1231015"	302.209068	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1725740"	302.232593	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1189632"	102.386984666667	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1662808"	307.187988	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"171495"	553.30564	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"612602"	791.49894	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1098732"	315.11234	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"157099"	277.156458	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"597083"	396.253108	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1083140"	158.059808	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1115137"	317.126892	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1348480"	317.214507	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1021025"	321.253676	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1538416"	322.247308	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"1004991"	161.130476	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1602284"	323.161928	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1420776"	353.193438	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1149973"	181.643751	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1699525"	370.219985	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1635903"	375.17538	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1572282"	391.14932	"C09632"	"Centarol"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"805571"	184.1252	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M"	0
"980199"	165.10681	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-H2O-H"	-19.01839
"77678"	121.742857333333	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M-3H"	-3.021828
"515657"	183.117924	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M-3H"	-3.021828
"884710"	60.3677906666667	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-3H"	-3.021828
"13501"	183.117924	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M-2H"	-2.014552
"452333"	275.180524	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M-2H"	-2.014552
"829039"	91.055324	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-2H"	-2.014552
"89395"	367.243124	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M-H"	-1.007276
"529321"	551.368324	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M-H"	-1.007276
"907485"	183.117924	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-H"	-1.007276
"59670"	384.269671	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M-2H+NH4"	16.019271
"499961"	568.394871	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M-2H+NH4"	16.019271
"870837"	200.144471	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-2H+NH4"	16.019271
"43478"	389.225066	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M-2H+Na"	20.974666
"485229"	573.350266	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M-2H+Na"	20.974666
"853910"	205.099866	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-2H+Na"	20.974666
"1631099"	205.099866	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Na-2H"	20.974666
"97785"	201.106263	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M-H+Cl"	33.962126
"536617"	293.168863	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M-H+Cl"	33.962126
"941081"	109.043663	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-H+Cl"	33.962126
"279634"	403.219802	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+Cl"	34.969402
"670963"	587.345002	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+Cl"	34.969402
"1285556"	219.094602	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Cl"	34.969402
"28110"	405.199006	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M-2H+K"	36.948606
"468034"	589.324206	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M-2H+K"	36.948606
"845105"	221.073806	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-2H+K"	36.948606
"1568593"	221.073806	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+K-2H"	36.948606
"955022"	229.123394	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-H+HCOOH"	44.998194
"372871"	413.248601	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+HCOOH-H"	44.998201
"357852"	427.264251	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+Hac-H"	59.013851
"1504132"	243.139051	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Hac-H"	59.013851
"973133"	251.105351	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-H+NaCOOH"	66.980151
"124230"	219.094602	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+2Cl"	69.938804
"564880"	311.157202	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+2Cl"	69.938804
"1034413"	127.032002	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2Cl"	69.938804
"1255810"	263.044085	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Br"	78.918885
"1314248"	265.100072	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Cl+HCOOH"	80.974872
"1330286"	287.082029	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Cl+NaCOOH"	102.956829
"918429"	297.110786	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M-H+CF3COOH"	112.985586
"1298782"	333.087464	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Cl+CF3COOH"	148.962264
"1375483"	149.112524	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H-2H2O"	-35.012676
"1391526"	167.1225	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H-H2O"	-17.0027
"286107"	369.257676	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+H"	1.007276
"680717"	553.382876	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+H"	1.007276
"1362898"	185.132476	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H"	1.007276
"134328"	185.132476	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+2H"	2.014552
"576082"	277.195076	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+2H"	2.014552
"1042696"	93.069876	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2H"	2.014552
"212786"	123.757409333333	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+3H"	3.021828
"654533"	185.132476	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+3H"	3.021828
"1174843"	62.3823426666667	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+3H"	3.021828
"429370"	386.284223	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+NH4"	18.033823
"796559"	570.409423	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+NH4"	18.033823
"1681509"	202.159023	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+NH4"	18.033823
"332788"	193.6457495	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+H+NH4"	19.041099
"727396"	285.7083495	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+H+NH4"	19.041099
"1479149"	101.5831495	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H+NH4"	19.041099
"393810"	391.239618	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+Na"	22.989218
"757606"	575.364818	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+Na"	22.989218
"1603515"	207.114418	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Na"	22.989218
"314645"	196.123447	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+H+Na"	23.996494
"707548"	288.186047	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+H+Na"	23.996494
"1461850"	104.060847	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H+Na"	23.996494
"1057418"	69.7096566666667	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2H+Na"	25.00377
"1258732"	217.158686	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+CH3OH+H"	33.033486
"378763"	407.213558	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+K"	38.963158
"741217"	591.338758	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+K"	38.963158
"1542175"	223.088358	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+K"	38.963158
"300566"	204.110417	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+H+K"	39.970434
"693594"	296.173017	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+H+K"	39.970434
"1447786"	112.047817	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H+K"	39.970434
"237108"	410.284226	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+ACN+H"	42.033826
"1211154"	226.159026	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+ACN+H"	42.033826
"1196987"	113.583151	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+ACN+2H"	43.041102
"190953"	413.22156	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+2Na-H"	44.97116
"629662"	597.34676	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+2Na-H"	44.97116
"1134024"	229.09636	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2Na-H"	44.97116
"174761"	207.114418	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+2Na"	45.978436
"613959"	299.177018	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+2Na"	45.978436
"1115918"	115.051818	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2Na"	45.978436
"1398957"	77.0369706666667	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H+2Na"	46.985712
"1431395"	231.137946	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H+HCOOH"	47.012746
"220727"	212.14744	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+3H2O+2H"	56.04448
"1508914"	245.18999	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+IsoProp+H"	61.06479
"409448"	215.101388	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+Na+K"	61.952376
"770399"	307.163988	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+Na+K"	61.952376
"1666529"	123.038788	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Na+K"	61.952376
"259510"	432.266168	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+ACN+Na"	64.015768
"1227845"	248.140968	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+ACN+Na"	64.015768
"1716726"	248.164493	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+NH4+HCOOH"	64.039293
"1183179"	84.3642846666667	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+3Na"	68.967654
"1655259"	253.119888	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Na+HCOOH"	68.994688
"164309"	445.16944	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+2K-H"	76.91904
"608248"	629.29464	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+2K-H"	76.91904
"1096041"	261.04424	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2K-H"	76.91904
"154799"	223.088358	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"2M+2K"	77.926316
"595331"	315.150958	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"3M+2K"	77.926316
"1083248"	131.025758	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2K"	77.926316
"1113054"	263.058792	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2K+H"	78.933592
"1348714"	263.146407	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+DMSO+H"	79.021207
"1019430"	267.185576	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2ACN+H"	83.060376
"1538405"	268.179208	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+IsoProp+Na+H"	84.054008
"1004003"	134.096426	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+2ACN+2H"	84.067652
"1601785"	269.093828	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+K+HCOOH"	84.968628
"1418701"	299.125338	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+H+CF3COOH"	115.000138
"1150082"	154.609701	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+3ACN+2H"	125.094202
"1698542"	316.151885	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+NH4+CF3COOH"	132.026685
"1635285"	321.10728	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+Na+CF3COOH"	136.98208
"1572028"	337.08122	"C09633"	"Chamazulene"	"C14H16"	"184.1252"	"M+K+CF3COOH"	152.95602
"814429"	353.0899	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M"	0
"980307"	334.07151	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-H2O-H"	-19.01839
"77791"	234.385990666667	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M-3H"	-3.021828
"515767"	352.082624	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M-3H"	-3.021828
"890287"	116.689357333333	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-3H"	-3.021828
"14332"	352.082624	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M-2H"	-2.014552
"454622"	528.627574	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M-2H"	-2.014552
"830244"	175.537674	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-2H"	-2.014552
"91207"	705.172524	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M-H"	-1.007276
"530159"	1058.262424	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M-H"	-1.007276
"909047"	352.082624	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-H"	-1.007276
"52490"	722.199071	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M-2H+NH4"	16.019271
"498610"	1075.288971	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M-2H+NH4"	16.019271
"867666"	369.109171	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-2H+NH4"	16.019271
"43220"	727.154466	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M-2H+Na"	20.974666
"483511"	1080.244366	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M-2H+Na"	20.974666
"849646"	374.064566	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-2H+Na"	20.974666
"1627929"	374.064566	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Na-2H"	20.974666
"97896"	370.070963	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M-H+Cl"	33.962126
"539643"	546.615913	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M-H+Cl"	33.962126
"938629"	193.526013	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-H+Cl"	33.962126
"282548"	741.149202	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+Cl"	34.969402
"674845"	1094.239102	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+Cl"	34.969402
"1286638"	388.059302	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Cl"	34.969402
"30046"	743.128406	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M-2H+K"	36.948606
"469239"	1096.218306	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M-2H+K"	36.948606
"847039"	390.038506	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-2H+K"	36.948606
"1570452"	390.038506	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+K-2H"	36.948606
"956594"	398.088094	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-H+HCOOH"	44.998194
"374807"	751.178001	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+HCOOH-H"	44.998201
"358324"	765.193651	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+Hac-H"	59.013851
"1507894"	412.103751	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Hac-H"	59.013851
"970326"	420.070051	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-H+NaCOOH"	66.980151
"125519"	388.059302	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+2Cl"	69.938804
"564995"	564.604252	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+2Cl"	69.938804
"1035980"	211.514352	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2Cl"	69.938804
"1255555"	432.008785	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Br"	78.918885
"1313265"	434.064772	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Cl+HCOOH"	80.974872
"1330761"	456.046729	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Cl+NaCOOH"	102.956829
"921455"	466.075486	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M-H+CF3COOH"	112.985586
"1297070"	502.052164	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Cl+CF3COOH"	148.962264
"1373407"	318.077224	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H-2H2O"	-35.012676
"1394917"	336.0872	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H-H2O"	-17.0027
"292051"	707.187076	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+H"	1.007276
"680827"	1060.276976	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+H"	1.007276
"1362644"	354.097176	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H"	1.007276
"133345"	354.097176	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+2H"	2.014552
"576192"	530.642126	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+2H"	2.014552
"1042806"	177.552226	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2H"	2.014552
"216176"	236.400542666667	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+3H"	3.021828
"658896"	354.097176	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+3H"	3.021828
"1175684"	118.703909333333	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+3H"	3.021828
"431666"	724.213623	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+NH4"	18.033823
"795941"	1077.303523	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+NH4"	18.033823
"1686807"	371.123723	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+NH4"	18.033823
"337273"	362.6104495	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+H+NH4"	19.041099
"732975"	539.1553995	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+H+NH4"	19.041099
"1487887"	186.0654995	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H+NH4"	19.041099
"396723"	729.169018	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+Na"	22.989218
"759905"	1082.258918	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+Na"	22.989218
"1606910"	376.079118	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Na"	22.989218
"317310"	365.088147	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+H+Na"	23.996494
"707420"	541.633097	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+H+Na"	23.996494
"1461602"	188.543197	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H+Na"	23.996494
"1057529"	126.031223333333	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2H+Na"	25.00377
"1258116"	386.123386	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+CH3OH+H"	33.033486
"379241"	745.142958	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+K"	38.963158
"738856"	1098.232858	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+K"	38.963158
"1540944"	392.053058	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+K"	38.963158
"299458"	373.075117	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+H+K"	39.970434
"693711"	549.620067	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+H+K"	39.970434
"1448259"	196.530167	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H+K"	39.970434
"237587"	748.213626	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+ACN+H"	42.033826
"1212850"	395.123726	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+ACN+H"	42.033826
"1196730"	198.065501	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+ACN+2H"	43.041102
"190334"	751.15096	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+2Na-H"	44.97116
"630989"	1104.24086	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+2Na-H"	44.97116
"1133406"	398.06106	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2Na-H"	44.97116
"174146"	376.079118	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+2Na"	45.978436
"618083"	552.624068	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+2Na"	45.978436
"1116112"	199.534168	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2Na"	45.978436
"1401831"	133.358537333333	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H+2Na"	46.985712
"1433947"	400.102646	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H+HCOOH"	47.012746
"221940"	381.11214	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+3H2O+2H"	56.04448
"1510610"	414.15469	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+IsoProp+H"	61.06479
"409241"	384.066088	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+Na+K"	61.952376
"770154"	560.611038	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+Na+K"	61.952376
"1665913"	207.521138	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Na+K"	61.952376
"259620"	770.195568	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+ACN+Na"	64.015768
"1229777"	417.105668	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+ACN+Na"	64.015768
"1719026"	417.129193	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+NH4+HCOOH"	64.039293
"1184380"	140.685851333333	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+3Na"	68.967654
"1658650"	422.084588	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Na+HCOOH"	68.994688
"166606"	783.09884	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+2K-H"	76.91904
"608352"	1136.18874	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+2K-H"	76.91904
"1098944"	430.00894	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2K-H"	76.91904
"154911"	392.053058	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"2M+2K"	77.926316
"594710"	568.598008	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"3M+2K"	77.926316
"1082142"	215.508108	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2K"	77.926316
"1113525"	432.023492	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2K+H"	78.933592
"1348822"	432.111107	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+DMSO+H"	79.021207
"1018443"	436.150276	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2ACN+H"	83.060376
"1537664"	437.143908	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+IsoProp+Na+H"	84.054008
"1004113"	218.578776	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+2ACN+2H"	84.067652
"1599710"	438.058528	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+K+HCOOH"	84.968628
"1416624"	468.090038	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+H+CF3COOH"	115.000138
"1150192"	239.092051	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+3ACN+2H"	125.094202
"1697923"	485.116585	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+NH4+CF3COOH"	132.026685
"1635395"	490.07198	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+Na+CF3COOH"	136.98208
"1573231"	506.04592	"C09634"	"Rugosinone;13-Dioxolo45-gisoquinolin-5-yl(2-hydroxy-34-dimethoxyphenyl)methanone"	"C19H15NO6"	"353.0899"	"M+K+CF3COOH"	152.95602
"805791"	204.1878	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M"	0
"980415"	185.16941	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"77777"	135.117924	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"513690"	203.180524	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"882014"	67.055324	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14442"	203.180524	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"455095"	305.274424	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"829617"	101.086624	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91797"	407.368324	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"530265"	611.556124	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"905877"	203.180524	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"58066"	424.394871	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"496533"	628.582671	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"867776"	220.207071	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"33732"	429.350266	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"476331"	633.538066	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"851942"	225.162466	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620382"	225.162466	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"95817"	221.168863	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536474"	323.262763	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"935457"	119.074963	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281810"	443.345002	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"671911"	647.532802	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1287112"	239.157202	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30879"	445.324206	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"470441"	649.512006	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847148"	241.136406	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1571246"	241.136406	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"958084"	249.185994	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"376006"	453.373801	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359162"	467.389451	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1508231"	263.201651	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970435"	271.167951	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"125509"	239.157202	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"564252"	341.251102	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036089"	137.063302	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1255665"	283.106685	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309002"	285.162672	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1330871"	307.144629	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920835"	317.173386	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1296451"	353.150064	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372788"	169.175124	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1392841"	187.1851	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291068"	409.382876	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"680937"	613.570676	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360203"	205.195076	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H"	1.007276
"133455"	205.195076	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"575209"	307.288976	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1042916"	103.101176	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"216286"	137.132476	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"656940"	205.195076	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1172877"	69.069876	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431776"	426.409423	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"796051"	630.597223	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1686917"	222.221623	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"337383"	213.7083495	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"733085"	315.8022495	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1487997"	111.6144495	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395011"	431.364818	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"760015"	635.552618	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1607020"	227.177018	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"317056"	216.186047	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707409"	318.279947	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461468"	114.092147	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1054357"	76.39719	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258588"	237.221286	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379350"	447.338758	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739250"	651.526558	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540447"	243.150958	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299689"	224.173017	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"691997"	326.266917	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1446182"	122.079117	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"235989"	450.409426	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1211501"	246.221626	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195381"	123.614451	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"190440"	453.34676	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"629882"	657.53456	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1133151"	249.15896	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173036"	227.177018	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"618193"	329.270918	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1115729"	125.083118	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1402305"	83.724504	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1434421"	251.200546	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"222657"	232.21004	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510720"	265.25259	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"408595"	235.163988	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"770294"	337.257888	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1665673"	133.070088	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253531"	472.391368	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230251"	268.203568	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1716950"	268.227093	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1182304"	91.051818	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1658760"	273.182488	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"165622"	485.29464	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"606275"	689.48244	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1098445"	281.10684	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151982"	243.150958	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"594820"	345.244858	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080429"	141.057058	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110355"	283.121392	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347839"	283.209007	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1018554"	287.248176	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1535587"	288.241808	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004952"	144.127726	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600913"	289.156428	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1416734"	319.187938	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1150302"	164.641001	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1699126"	336.214485	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635869"	341.16988	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573341"	357.14382	"C09635"	"alpha-Chamigrene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802621"	464.1682	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M"	0
"976152"	445.14981	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-H2O-H"	-19.01839
"75334"	308.438190666667	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M-3H"	-3.021828
"513800"	463.160924	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M-3H"	-3.021828
"880542"	153.715457333333	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-3H"	-3.021828
"14188"	463.160924	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M-2H"	-2.014552
"448645"	695.245024	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M-2H"	-2.014552
"826447"	231.076824	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-2H"	-2.014552
"88627"	927.329124	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M-H"	-1.007276
"526001"	1391.497324	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M-H"	-1.007276
"903800"	463.160924	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-H"	-1.007276
"57811"	944.355671	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M-2H+NH4"	16.019271
"493363"	1408.523871	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M-2H+NH4"	16.019271
"864602"	480.187471	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-2H+NH4"	16.019271
"33600"	949.311066	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M-2H+Na"	20.974666
"474254"	1413.479266	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M-2H+Na"	20.974666
"852052"	485.142866	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-2H+Na"	20.974666
"1618501"	485.142866	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Na-2H"	20.974666
"94370"	481.149263	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M-H+Cl"	33.962126
"534719"	713.233363	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M-H+Cl"	33.962126
"930099"	249.065163	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-H+Cl"	33.962126
"280324"	963.305802	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+Cl"	34.969402
"669834"	1427.474002	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+Cl"	34.969402
"1288155"	499.137602	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Cl"	34.969402
"28074"	965.285006	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M-2H+K"	36.948606
"469461"	1429.453206	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M-2H+K"	36.948606
"845435"	501.116806	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-2H+K"	36.948606
"1562363"	501.116806	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+K-2H"	36.948606
"954619"	509.166394	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-H+HCOOH"	44.998194
"368460"	973.334601	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+HCOOH-H"	44.998201
"352346"	987.350251	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+Hac-H"	59.013851
"1504096"	523.182051	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Hac-H"	59.013851
"969089"	531.148351	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-H+NaCOOH"	66.980151
"119455"	499.137602	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+2Cl"	69.938804
"561199"	731.221702	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+2Cl"	69.938804
"1028177"	267.053502	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2Cl"	69.938804
"1253950"	543.087085	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Br"	78.918885
"1308382"	545.143072	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Cl+HCOOH"	80.974872
"1327701"	567.125029	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Cl+NaCOOH"	102.956829
"914384"	577.153786	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M-H+CF3COOH"	112.985586
"1294374"	613.130464	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Cl+CF3COOH"	148.962264
"1370347"	429.155524	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H-2H2O"	-35.012676
"1390035"	447.1655	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H-H2O"	-17.0027
"288626"	929.343676	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+H"	1.007276
"681047"	1393.511876	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+H"	1.007276
"1357033"	465.175476	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H"	1.007276
"128098"	465.175476	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+2H"	2.014552
"569853"	697.259576	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+2H"	2.014552
"1039018"	233.091376	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2H"	2.014552
"213116"	310.452742666667	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+3H"	3.021828
"655957"	465.175476	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+3H"	3.021828
"1172987"	155.730009333333	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+3H"	3.021828
"432980"	946.370223	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+NH4"	18.033823
"795068"	1410.538423	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+NH4"	18.033823
"1684111"	482.202023	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+NH4"	18.033823
"333484"	473.6887495	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+H+NH4"	19.041099
"724203"	705.7728495	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+H+NH4"	19.041099
"1488107"	241.6046495	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H+NH4"	19.041099
"394757"	951.325618	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+Na"	22.989218
"756845"	1415.493818	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+Na"	22.989218
"1603727"	487.157418	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Na"	22.989218
"316073"	476.166447	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+H+Na"	23.996494
"707885"	708.250547	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+H+Na"	23.996494
"1461491"	244.082347	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H+Na"	23.996494
"1052865"	163.057323333333	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2H+Na"	25.00377
"1257110"	497.201686	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+CH3OH+H"	33.033486
"377469"	967.299558	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+K"	38.963158
"738783"	1431.467758	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+K"	38.963158
"1540029"	503.131358	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+K"	38.963158
"298638"	484.153417	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+H+K"	39.970434
"691454"	716.237517	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+H+K"	39.970434
"1447021"	252.069317	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H+K"	39.970434
"235700"	970.370226	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+ACN+H"	42.033826
"1211612"	506.202026	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+ACN+H"	42.033826
"1195127"	253.604651	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+ACN+2H"	43.041102
"190917"	973.30756	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+2Na-H"	44.97116
"629628"	1437.47576	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+2Na-H"	44.97116
"1132288"	509.13936	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2Na-H"	44.97116
"173226"	487.157418	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+2Na"	45.978436
"618303"	719.241518	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+2Na"	45.978436
"1115840"	255.073318	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2Na"	45.978436
"1399377"	170.384637333333	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H+2Na"	46.985712
"1433074"	511.180946	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H+HCOOH"	47.012746
"220332"	492.19044	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+3H2O+2H"	56.04448
"1510223"	525.23299	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+IsoProp+H"	61.06479
"408811"	495.144388	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+Na+K"	61.952376
"770106"	727.228488	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+Na+K"	61.952376
"1665621"	263.060288	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Na+K"	61.952376
"253277"	992.352168	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+ACN+Na"	64.015768
"1227809"	528.183968	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+ACN+Na"	64.015768
"1717060"	528.207493	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+NH4+HCOOH"	64.039293
"1180955"	177.711951333333	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+3Na"	68.967654
"1656684"	533.162888	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Na+HCOOH"	68.994688
"165732"	1005.25544	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+2K-H"	76.91904
"604199"	1469.42364	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+2K-H"	76.91904
"1096367"	541.08724	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2K-H"	76.91904
"153185"	503.131358	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"2M+2K"	77.926316
"593836"	735.215458	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"3M+2K"	77.926316
"1078348"	271.047258	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2K"	77.926316
"1111558"	543.101792	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2K+H"	78.933592
"1345762"	543.189407	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+DMSO+H"	79.021207
"1016477"	547.228576	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2ACN+H"	83.060376
"1535695"	548.222208	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+IsoProp+Na+H"	84.054008
"1004332"	274.117926	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+2ACN+2H"	84.067652
"1601751"	549.136828	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+K+HCOOH"	84.968628
"1416844"	579.168338	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+H+CF3COOH"	115.000138
"1148589"	294.631201	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+3ACN+2H"	125.094202
"1699236"	596.194885	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+NH4+CF3COOH"	132.026685
"1636707"	601.15028	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+Na+CF3COOH"	136.98208
"1573451"	617.12422	"C09636"	"Diffutin"	"C23H28O10"	"464.1682"	"M+K+CF3COOH"	152.95602
"803824"	204.1878	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M"	0
"976262"	185.16941	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75444"	135.117924	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"512817"	203.180524	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880246"	67.055324	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"4821"	203.180524	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"444380"	305.274424	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"828743"	101.086624	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"88737"	407.368324	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"526111"	611.556124	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"900630"	203.180524	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51725"	424.394871	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"495659"	628.582671	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"865322"	220.207071	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"33710"	429.350266	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"478738"	633.538066	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"848608"	225.162466	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1618552"	225.162466	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"94944"	221.168863	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"534950"	323.262763	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931302"	119.074963	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281529"	443.345002	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"668851"	647.532802	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285630"	239.157202	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"29277"	445.324206	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"468476"	649.512006	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"845546"	241.136406	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1561380"	241.136406	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"954729"	249.185994	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"366384"	453.373801	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"352456"	467.389451	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1503477"	263.201651	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970291"	271.167951	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"119928"	239.157202	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"563132"	341.251102	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030474"	137.063302	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252967"	283.106685	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309219"	285.162672	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1324531"	307.144629	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"913399"	317.173386	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1296671"	353.150064	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372643"	169.175124	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1386865"	187.1851	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"288736"	409.382876	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"681157"	613.570676	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1357506"	205.195076	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H"	1.007276
"127115"	205.195076	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"568869"	307.288976	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039857"	103.101176	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"214319"	137.132476	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"657160"	205.195076	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1172004"	69.069876	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433090"	426.409423	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"795178"	630.597223	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1686772"	222.221623	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"331770"	213.7083495	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"726745"	315.8022495	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1488217"	111.6144495	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395960"	431.364818	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"756225"	635.552618	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603593"	227.177018	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321650"	216.186047	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709697"	318.279947	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1462174"	114.092147	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1054692"	76.39719	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258194"	237.221286	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377620"	447.338758	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739830"	651.526558	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541153"	243.150958	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299661"	224.173017	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"691593"	326.266917	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447131"	122.079117	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"235726"	450.409426	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210260"	246.221626	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1194878"	123.614451	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"189812"	453.34676	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"629494"	657.53456	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1131872"	249.15896	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"172866"	227.177018	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"616226"	329.270918	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1115829"	125.083118	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1398875"	83.724504	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1430509"	251.200546	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"220042"	232.21004	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1508482"	265.25259	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"408553"	235.163988	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"770027"	337.257888	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1665585"	133.070088	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253023"	472.391368	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230471"	268.203568	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1718263"	268.227093	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179972"	91.051818	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1654607"	273.182488	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"165842"	485.29464	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601027"	689.48244	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1096477"	281.10684	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"153295"	243.150958	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"589572"	345.244858	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1077364"	141.057058	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1108387"	283.121392	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344778"	283.209007	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017679"	287.248176	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531431"	288.241808	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001162"	144.127726	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600768"	289.156428	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1415860"	319.187938	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148699"	164.641001	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1701168"	336.214485	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1636817"	341.16988	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573561"	357.14382	"C09637"	"beta-Chamigrene;(-)-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802841"	308.1624	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M"	0
"982932"	289.14401	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-H2O-H"	-19.01839
"73367"	204.434324	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M-3H"	-3.021828
"509647"	307.155124	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M-3H"	-3.021828
"880762"	101.713524	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-3H"	-3.021828
"4931"	307.155124	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M-2H"	-2.014552
"444490"	461.236324	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M-2H"	-2.014552
"827760"	153.073924	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-2H"	-2.014552
"88847"	615.317524	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M-H"	-1.007276
"523305"	923.479924	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M-H"	-1.007276
"900740"	307.155124	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-H"	-1.007276
"52928"	632.344071	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M-2H+NH4"	16.019271
"493582"	940.506471	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M-2H+NH4"	16.019271
"872479"	324.181671	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-2H+NH4"	16.019271
"37100"	637.299466	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M-2H+Na"	20.974666
"480671"	945.461866	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M-2H+Na"	20.974666
"853367"	329.137066	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-2H+Na"	20.974666
"1621806"	329.137066	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Na-2H"	20.974666
"95052"	325.143463	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M-H+Cl"	33.962126
"535101"	479.224663	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M-H+Cl"	33.962126
"931412"	171.062263	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-H+Cl"	33.962126
"278723"	651.294202	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+Cl"	34.969402
"673823"	959.456602	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+Cl"	34.969402
"1284647"	343.131802	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Cl"	34.969402
"29388"	653.273406	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M-2H+K"	36.948606
"469310"	961.435806	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M-2H+K"	36.948606
"842375"	345.111006	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-2H+K"	36.948606
"1564770"	345.111006	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+K-2H"	36.948606
"953745"	353.160594	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-H+HCOOH"	44.998194
"367587"	661.323001	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+HCOOH-H"	44.998201
"354753"	675.338651	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+Hac-H"	59.013851
"1506506"	367.176251	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Hac-H"	59.013851
"971128"	375.142551	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-H+NaCOOH"	66.980151
"122591"	343.131802	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+2Cl"	69.938804
"563244"	497.213002	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+2Cl"	69.938804
"1034595"	189.050602	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2Cl"	69.938804
"1254170"	387.081285	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Br"	78.918885
"1311517"	389.137272	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Cl+HCOOH"	80.974872
"1325734"	411.119229	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Cl+NaCOOH"	102.956829
"917884"	421.147986	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M-H+CF3COOH"	112.985586
"1296781"	457.124664	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Cl+CF3COOH"	148.962264
"1372023"	273.149724	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H-2H2O"	-35.012676
"1385515"	291.1597	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H-H2O"	-17.0027
"285564"	617.332076	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+H"	1.007276
"680174"	925.494476	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+H"	1.007276
"1355430"	309.169676	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H"	1.007276
"130505"	309.169676	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+2H"	2.014552
"570075"	463.250876	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+2H"	2.014552
"1041061"	155.088476	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2H"	2.014552
"208596"	206.448876	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+3H"	3.021828
"651803"	309.169676	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+3H"	3.021828
"1169927"	103.728076	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+3H"	3.021828
"432106"	634.358623	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+NH4"	18.033823
"796380"	942.521023	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+NH4"	18.033823
"1690527"	326.196223	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+NH4"	18.033823
"337713"	317.6829495	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+H+NH4"	19.041099
"731229"	471.7641495	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+H+NH4"	19.041099
"1490150"	163.6017495	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H+NH4"	19.041099
"397163"	639.314018	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+Na"	22.989218
"760345"	947.476418	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+Na"	22.989218
"1606621"	331.151618	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Na"	22.989218
"329175"	320.160647	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+H+Na"	23.996494
"719649"	474.241847	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+H+Na"	23.996494
"1469096"	166.079447	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H+Na"	23.996494
"1054686"	111.05539	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2H+Na"	25.00377
"1258914"	341.195886	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+CH3OH+H"	33.033486
"378584"	655.287958	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+K"	38.963158
"740668"	963.450358	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+K"	38.963158
"1540293"	347.125558	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+K"	38.963158
"299170"	328.147617	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+H+K"	39.970434
"691756"	482.228817	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+H+K"	39.970434
"1447605"	174.066417	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H+K"	39.970434
"236568"	658.358626	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+ACN+H"	42.033826
"1211833"	350.196226	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+ACN+H"	42.033826
"1195717"	175.601751	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+ACN+2H"	43.041102
"191505"	661.29596	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+2Na-H"	44.97116
"636538"	969.45836	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+2Na-H"	44.97116
"1136764"	353.13356	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2Na-H"	44.97116
"178961"	331.151618	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+2Na"	45.978436
"619616"	485.232818	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+2Na"	45.978436
"1115906"	177.070418	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2Na"	45.978436
"1398535"	118.382704	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H+2Na"	46.985712
"1430293"	355.175146	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H+HCOOH"	47.012746
"220049"	336.18464	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+3H2O+2H"	56.04448
"1508453"	369.22719	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+IsoProp+H"	61.06479
"409886"	339.138588	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+Na+K"	61.952376
"771734"	493.219788	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+Na+K"	61.952376
"1666970"	185.057388	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Na+K"	61.952376
"254592"	680.340568	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+ACN+Na"	64.015768
"1227301"	372.178168	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+ACN+Na"	64.015768
"1718373"	372.201693	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+NH4+HCOOH"	64.039293
"1181905"	125.710018	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+3Na"	68.967654
"1651437"	377.157088	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Na+HCOOH"	68.994688
"163765"	693.24384	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+2K-H"	76.91904
"601137"	1001.40624	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+2K-H"	76.91904
"1096587"	385.08144	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2K-H"	76.91904
"152311"	347.125558	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"2M+2K"	77.926316
"588589"	501.206758	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"3M+2K"	77.926316
"1075286"	193.044358	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2K"	77.926316
"1109591"	387.095992	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2K+H"	78.933592
"1341608"	387.183607	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+DMSO+H"	79.021207
"1013416"	391.222776	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2ACN+H"	83.060376
"1535918"	392.216408	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+IsoProp+Na+H"	84.054008
"1001273"	196.115026	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+2ACN+2H"	84.067652
"1597962"	393.131028	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+K+HCOOH"	84.968628
"1415241"	423.162538	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+H+CF3COOH"	115.000138
"1148444"	216.628301	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+3ACN+2H"	125.094202
"1699455"	440.189085	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+NH4+CF3COOH"	132.026685
"1635469"	445.14448	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+Na+CF3COOH"	136.98208
"1573671"	461.11842	"C09638"	"Cinnamodial"	"C17H24O5"	"308.1624"	"M+K+CF3COOH"	152.95602
"802951"	204.1878	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M"	0
"983042"	185.16941	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"70197"	135.117924	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"508664"	203.180524	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880994"	67.055324	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"61"	203.180524	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"442412"	305.274424	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"825682"	101.086624	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"83488"	407.368324	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"520131"	611.556124	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"896350"	203.180524	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"47444"	424.394871	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"487851"	628.582671	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"865903"	220.207071	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"36115"	429.350266	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"477863"	633.538066	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854570"	225.162466	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620820"	225.162466	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96011"	221.168863	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"535934"	323.262763	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931522"	119.074963	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278832"	443.345002	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"669071"	647.532802	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1283662"	239.157202	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"22937"	445.324206	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464683"	649.512006	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"844673"	241.136406	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1567066"	241.136406	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953856"	249.185994	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"367696"	453.373801	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356685"	467.389451	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506247"	263.201651	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970873"	271.167951	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"118689"	239.157202	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"563717"	341.251102	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1034702"	137.063302	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253916"	283.106685	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1307982"	285.162672	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1328031"	307.144629	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"919086"	317.173386	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1297984"	353.150064	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372132"	169.175124	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1388177"	187.1851	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"288956"	409.382876	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"682470"	613.570676	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356630"	205.195076	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128792"	205.195076	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571278"	307.288976	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1040077"	103.101176	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206884"	137.132476	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"646808"	205.195076	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1171130"	69.069876	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"430029"	426.409423	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"792117"	630.597223	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690638"	222.221623	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"334907"	213.7083495	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"732432"	315.8022495	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1488437"	111.6144495	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"400554"	431.364818	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758633"	635.552618	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609647"	227.177018	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"328431"	216.186047	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"715385"	318.279947	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1470300"	114.092147	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1058075"	76.39719	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1260118"	237.221286	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379060"	447.338758	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740418"	651.526558	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541741"	243.150958	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299644"	224.173017	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692433"	326.266917	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448445"	122.079117	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"237043"	450.409426	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1211938"	246.221626	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1196921"	123.614451	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"190522"	453.34676	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"629471"	657.53456	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1136874"	249.15896	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"175790"	227.177018	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"618633"	329.270918	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1115971"	125.083118	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1399464"	83.724504	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1431217"	251.200546	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"220456"	232.21004	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1509093"	265.25259	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"410847"	235.163988	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"772937"	337.257888	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1668173"	133.070088	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253608"	472.391368	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1228504"	268.203568	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1717390"	268.227093	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1181651"	91.051818	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1651545"	273.182488	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"160593"	485.29464	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601247"	689.48244	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1091229"	281.10684	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"149140"	243.150958	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"584324"	345.244858	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1075397"	141.057058	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1107514"	283.121392	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1340623"	283.209007	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1011339"	287.248176	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1532747"	288.241808	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001382"	144.127726	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598071"	289.156428	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1414622"	319.187938	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1147703"	164.641001	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1698471"	336.214485	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635944"	341.16988	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1572688"	357.14382	"C09639"	"alpha-Copaene;Copaene;(-)-alpha-Copaene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804154"	193.1103	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M"	0
"983152"	174.09191	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-H2O-H"	-19.01839
"70306"	127.732924	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M-3H"	-3.021828
"508774"	192.103024	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M-3H"	-3.021828
"881471"	63.362824	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-3H"	-3.021828
"650"	192.103024	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M-2H"	-2.014552
"440819"	288.658174	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M-2H"	-2.014552
"825792"	95.547874	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-2H"	-2.014552
"84692"	385.213324	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M-H"	-1.007276
"519878"	578.323624	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M-H"	-1.007276
"896339"	192.103024	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-H"	-1.007276
"48526"	402.239871	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M-2H+NH4"	16.019271
"488087"	595.350171	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M-2H+NH4"	16.019271
"868324"	209.129571	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-2H+NH4"	16.019271
"36225"	407.195266	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M-2H+Na"	20.974666
"476880"	600.305566	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M-2H+Na"	20.974666
"856867"	214.084966	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-2H+Na"	20.974666
"1624211"	214.084966	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+Na-2H"	20.974666
"97094"	210.091363	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M-H+Cl"	33.962126
"538113"	306.646513	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M-H+Cl"	33.962126
"932725"	113.536213	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-H+Cl"	33.962126
"280765"	421.190002	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+Cl"	34.969402
"668087"	614.300302	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+Cl"	34.969402
"1284866"	228.079702	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+Cl"	34.969402
"25234"	423.169206	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M-2H+K"	36.948606
"466980"	616.279506	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M-2H+K"	36.948606
"841503"	230.058906	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-2H+K"	36.948606
"1568635"	230.058906	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+K-2H"	36.948606
"954331"	238.108494	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-H+HCOOH"	44.998194
"369993"	431.218801	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+HCOOH-H"	44.998201
"354243"	445.234451	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+Hac-H"	59.013851
"1504535"	252.124151	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+Hac-H"	59.013851
"969891"	260.090451	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M-H+NaCOOH"	66.980151
"122079"	228.079702	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+2Cl"	69.938804
"560910"	324.634852	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+2Cl"	69.938804
"1030803"	131.524552	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2Cl"	69.938804
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"1374068"	158.097624	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+H-2H2O"	-35.012676
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"129994"	194.117576	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+2H"	2.014552
"571388"	290.672726	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+2H"	2.014552
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"207356"	129.747476	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+3H"	3.021828
"645822"	194.117576	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+3H"	3.021828
"1169052"	65.377376	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+3H"	3.021828
"429043"	404.254423	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+NH4"	18.033823
"796601"	597.364723	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+NH4"	18.033823
"1690745"	211.144123	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+NH4"	18.033823
"336839"	202.6308495	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+H+NH4"	19.041099
"727074"	299.1859995	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+H+NH4"	19.041099
"1488547"	106.0756995	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+H+NH4"	19.041099
"397384"	409.209818	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+Na"	22.989218
"763845"	602.320118	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+Na"	22.989218
"1617534"	216.099518	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+Na"	22.989218
"327448"	205.108547	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+H+Na"	23.996494
"717683"	301.663697	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+H+Na"	23.996494
"1471503"	108.553397	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+H+Na"	23.996494
"1058187"	72.70469	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2H+Na"	25.00377
"1260961"	226.143786	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+CH3OH+H"	33.033486
"381722"	425.183758	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+K"	38.963158
"742718"	618.294058	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+K"	38.963158
"1541124"	232.073458	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+K"	38.963158
"299757"	213.095517	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+H+K"	39.970434
"693031"	309.650667	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+H+K"	39.970434
"1448555"	116.540367	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+H+K"	39.970434
"237156"	428.254426	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+ACN+H"	42.033826
"1213875"	235.144126	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+ACN+H"	42.033826
"1202136"	118.075701	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+ACN+2H"	43.041102
"195005"	431.19176	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+2Na-H"	44.97116
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"1142452"	238.08146	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2Na-H"	44.97116
"179181"	216.099518	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+2Na"	45.978436
"615827"	312.654668	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+2Na"	45.978436
"1116777"	119.544368	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2Na"	45.978436
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"1437889"	240.123046	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+H+HCOOH"	47.012746
"226491"	221.13254	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+3H2O+2H"	56.04448
"1513460"	254.17509	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+IsoProp+H"	61.06479
"411323"	224.086488	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+Na+K"	61.952376
"773046"	320.641638	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+Na+K"	61.952376
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"252867"	450.236368	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+ACN+Na"	64.015768
"1226061"	257.126068	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+ACN+Na"	64.015768
"1714220"	257.149593	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+NH4+HCOOH"	64.039293
"1180668"	87.359318	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+3Na"	68.967654
"1651655"	262.104988	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+Na+HCOOH"	68.994688
"163983"	463.13964	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+2K-H"	76.91904
"602451"	656.24994	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+2K-H"	76.91904
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"149250"	232.073458	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"2M+2K"	77.926316
"587714"	328.628608	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"3M+2K"	77.926316
"1079881"	135.518308	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2K"	77.926316
"1108716"	272.043892	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2K+H"	78.933592
"1337453"	272.131507	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+DMSO+H"	79.021207
"1011449"	276.170676	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2ACN+H"	83.060376
"1532856"	277.164308	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+IsoProp+Na+H"	84.054008
"1000399"	138.588976	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+2ACN+2H"	84.067652
"1597089"	278.078928	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+K+HCOOH"	84.968628
"1415097"	308.110438	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+H+CF3COOH"	115.000138
"1150851"	159.102251	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+3ACN+2H"	125.094202
"1700405"	325.136985	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+NH4+CF3COOH"	132.026685
"1636054"	330.09238	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+Na+CF3COOH"	136.98208
"1571705"	346.06632	"C09640"	"(-)-Salsoline"	"C11H15NO2"	"193.1103"	"M+K+CF3COOH"	152.95602
"803171"	242.0943	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M"	0
"983262"	223.07591	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"69323"	160.388924	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"504509"	241.087024	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
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"442262"	362.134174	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"818122"	120.039874	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"82614"	483.181324	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"519375"	725.275624	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"897782"	241.087024	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"49972"	500.207871	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"488560"	742.302171	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"865516"	258.113571	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
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"474801"	747.257566	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"850412"	263.068966	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
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"535553"	380.122513	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
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"282796"	519.158002	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"671477"	761.252302	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1284977"	277.063702	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
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"467090"	763.231506	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"841613"	279.042906	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1566922"	279.042906	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"954805"	287.092494	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"367916"	529.186801	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"353988"	543.202451	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1507560"	301.108151	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"970001"	309.074451	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"122919"	277.063702	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"561021"	398.110852	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1033829"	156.016552	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1254501"	321.013185	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1309660"	323.069172	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1328251"	345.051129	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"918215"	355.079886	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1298206"	391.056564	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1374178"	207.081624	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1387305"	225.0916	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"288082"	485.195876	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"683783"	727.290176	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1355758"	243.101576	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"130834"	243.101576	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"573685"	364.148726	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1039566"	122.054426	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"205400"	162.403476	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"646053"	243.101576	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1163934"	81.705376	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"428058"	502.222423	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"791242"	744.316723	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1690854"	260.128123	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"343505"	251.6148495	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"723899"	372.6619995	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1482094"	130.5676995	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"395307"	507.177818	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"766142"	749.272118	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1616426"	265.083518	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"326463"	254.092547	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"715605"	375.139697	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1467238"	133.045397	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1055746"	89.03269	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1259249"	275.127786	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"380374"	523.151758	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"740641"	765.246058	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1540869"	281.057458	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"299503"	262.079517	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"692293"	383.126667	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1450488"	141.032367	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"235818"	526.222426	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1212163"	284.128126	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1196779"	142.567701	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"190742"	529.15976	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"630307"	771.25406	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1142562"	287.06546	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"179291"	265.083518	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"616301"	386.130668	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1116888"	144.036368	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1403329"	96.360004	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1434718"	289.107046	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"227694"	270.11654	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1515757"	303.15909	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"412526"	273.070488	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"774251"	394.117638	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1670579"	152.023338	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"254192"	548.204368	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1226292"	306.110068	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1714694"	306.133593	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1182965"	103.687318	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1653952"	311.088988	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"163000"	561.10764	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"603654"	803.20194	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1089259"	319.01334	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"147171"	281.057458	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"588917"	402.104608	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1081084"	160.010308	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1108826"	321.027892	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1336344"	321.115507	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1009371"	325.154676	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1532968"	326.148308	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"1000509"	163.080976	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1597198"	327.062928	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1415327"	357.094438	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1149868"	183.594251	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1700515"	374.120985	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1635072"	379.07638	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1574005"	395.05032	"C09641"	"74-Dihydroxyflavan"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"806561"	179.0946	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M"	0
"983372"	160.07621	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"68340"	118.389124	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"506805"	178.087324	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"885699"	58.690924	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"1236"	178.087324	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"442373"	267.634624	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"817625"	88.540024	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"82724"	357.181924	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"519120"	536.276524	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"897165"	178.087324	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"48138"	374.208471	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"487821"	553.303071	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"866356"	195.113871	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"33165"	379.163866	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"477097"	558.258466	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"854897"	200.069266	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1622244"	200.069266	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"97679"	196.075663	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"538337"	285.622963	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"936229"	106.528363	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"282644"	393.158602	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"667939"	572.253202	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1281797"	214.064002	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"27636"	395.137806	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"466103"	574.232406	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"835889"	216.043206	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1561928"	216.043206	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"946530"	224.092794	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"366931"	403.187401	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"350815"	417.203051	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1497095"	238.108451	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"970473"	246.074751	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"122299"	214.064002	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"557848"	303.611302	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1028835"	124.516702	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1255340"	258.013485	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1307584"	260.069472	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1328361"	282.051429	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"918325"	292.080186	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1298316"	328.056864	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1373195"	144.081924	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1387415"	162.0919	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"287099"	359.196476	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"686809"	538.291076	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1355868"	180.101876	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"130944"	180.101876	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"575982"	269.649176	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1039312"	90.554576	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"205389"	120.403676	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"647135"	180.101876	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1163802"	60.705476	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"428168"	376.223023	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"794632"	555.317623	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1690964"	197.128423	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"343615"	188.6151495	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"726196"	278.1624495	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1481110"	99.0678495	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"394323"	381.178418	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"768318"	560.273018	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1613256"	202.083818	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"327666"	191.092847	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"718996"	280.640147	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1473909"	101.545547	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1055490"	68.03279	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1258629"	212.128086	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"377932"	397.152358	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"739657"	576.246958	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1540980"	218.057758	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"300342"	199.079817	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"693856"	288.627117	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1448412"	109.532517	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"238473"	400.223026	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1213004"	221.128426	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1197980"	111.067851	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"190851"	403.16036	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"628558"	582.25496	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1131342"	224.06576	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"179765"	202.083818	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"612992"	291.631118	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1116999"	112.536518	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1401252"	75.360104	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1431910"	226.107346	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"222699"	207.11684	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1513680"	240.15939	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"413730"	210.070788	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"775089"	299.618088	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1669231"	120.523488	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"254058"	422.204968	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1226645"	243.110368	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1716627"	243.133893	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1185263"	82.687418	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1656248"	248.089288	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"165296"	435.10824	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"603764"	614.20284	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1090462"	256.01364	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"149467"	218.057758	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"590121"	307.605058	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1079006"	128.510458	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1108936"	258.028192	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1337062"	258.115807	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1010574"	262.154976	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1534170"	263.148608	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"1000619"	131.581126	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1598403"	264.063228	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1416530"	294.094738	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1151071"	152.094401	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1700625"	311.121285	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1635182"	316.07668	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1571929"	332.05062	"C09642"	"(-)-Salsolinol;67-Isoquinolinediol 1234-tetrahydro-1-methyl- (S)-;Salsolinol"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"806671"	329.1627	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M"	0
"986762"	310.14431	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-H2O-H"	-19.01839
"70636"	218.434524	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M-3H"	-3.021828
"505822"	328.155424	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M-3H"	-3.021828
"884717"	108.713624	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-3H"	-3.021828
"1469"	328.155424	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M-2H"	-2.014552
"442852"	492.736774	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M-2H"	-2.014552
"817114"	163.574074	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-2H"	-2.014552
"86114"	657.318124	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M-H"	-1.007276
"518657"	986.480824	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M-H"	-1.007276
"896180"	328.155424	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-H"	-1.007276
"47516"	674.344671	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M-2H+NH4"	16.019271
"487566"	1003.507371	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M-2H+NH4"	16.019271
"864762"	345.181971	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-2H+NH4"	16.019271
"34368"	679.300066	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M-2H+Na"	20.974666
"478300"	1008.462766	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M-2H+Na"	20.974666
"852822"	350.137366	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-2H+Na"	20.974666
"1623449"	350.137366	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Na-2H"	20.974666
"97788"	346.143763	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M-H+Cl"	33.962126
"542822"	510.725113	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M-H+Cl"	33.962126
"937068"	181.562413	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-H+Cl"	33.962126
"282400"	693.294802	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+Cl"	34.969402
"667319"	1022.457502	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+Cl"	34.969402
"1285554"	364.132102	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Cl"	34.969402
"30669"	695.274006	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M-2H+K"	36.948606
"465119"	1024.436706	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M-2H+K"	36.948606
"840735"	366.111306	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-2H+K"	36.948606
"1560943"	366.111306	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+K-2H"	36.948606
"948826"	374.160894	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-H+HCOOH"	44.998194
"373238"	703.323601	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+HCOOH-H"	44.998201
"352017"	717.339251	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+Hac-H"	59.013851
"1500848"	388.176551	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Hac-H"	59.013851
"962195"	396.142851	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-H+NaCOOH"	66.980151
"116204"	364.132102	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+2Cl"	69.938804
"557958"	528.713452	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+2Cl"	69.938804
"1029673"	199.550752	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2Cl"	69.938804
"1254355"	408.081585	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Br"	78.918885
"1307328"	410.137572	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Cl+HCOOH"	80.974872
"1325190"	432.119529	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Cl+NaCOOH"	102.956829
"916247"	442.148286	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M-H+CF3COOH"	112.985586
"1296238"	478.124964	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Cl+CF3COOH"	148.962264
"1375492"	294.150024	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H-2H2O"	-35.012676
"1387525"	312.16	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H-H2O"	-17.0027
"287209"	659.332676	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+H"	1.007276
"688742"	988.495376	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+H"	1.007276
"1359258"	330.169976	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H"	1.007276
"131054"	330.169976	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+2H"	2.014552
"570625"	494.751326	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+2H"	2.014552
"1039785"	165.588626	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2H"	2.014552
"205134"	220.449076	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+3H"	3.021828
"646881"	330.169976	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+3H"	3.021828
"1162845"	110.728176	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+3H"	3.021828
"428278"	676.359223	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+NH4"	18.033823
"791462"	1005.521923	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+NH4"	18.033823
"1691074"	347.196523	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+NH4"	18.033823
"342632"	338.6832495	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+H+NH4"	19.041099
"728493"	503.2645995	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+H+NH4"	19.041099
"1479033"	174.1018995	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H+NH4"	19.041099
"393703"	681.314618	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+Na"	22.989218
"764175"	1010.477318	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+Na"	22.989218
"1613366"	352.151918	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Na"	22.989218
"325589"	341.160947	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+H+Na"	23.996494
"715826"	505.742297	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+H+Na"	23.996494
"1472926"	176.579597	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H+Na"	23.996494
"1056694"	118.05549	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2H+Na"	25.00377
"1260196"	362.196186	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+CH3OH+H"	33.033486
"379501"	697.288558	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+K"	38.963158
"741590"	1026.451258	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+K"	38.963158
"1541820"	368.125858	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+K"	38.963158
"301184"	349.147917	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+H+K"	39.970434
"692512"	513.729267	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+H+K"	39.970434
"1447429"	184.566567	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H+K"	39.970434
"238219"	700.359226	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+ACN+H"	42.033826
"1214206"	371.196526	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+ACN+H"	42.033826
"1199183"	186.101901	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+ACN+2H"	43.041102
"192054"	703.29656	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+2Na-H"	44.97116
"628818"	1032.45926	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+2Na-H"	44.97116
"1131802"	374.13386	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2Na-H"	44.97116
"179511"	352.151918	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+2Na"	45.978436
"617249"	516.733268	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+2Na"	45.978436
"1117110"	187.570568	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2Na"	45.978436
"1405008"	125.382804	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H+2Na"	46.985712
"1434208"	376.175446	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H+HCOOH"	47.012746
"224268"	357.18494	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+3H2O+2H"	56.04448
"1514883"	390.22749	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+IsoProp+H"	61.06479
"413840"	360.138888	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+Na+K"	61.952376
"777388"	524.720238	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+Na+K"	61.952376
"1671165"	195.557538	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Na+K"	61.952376
"252225"	722.341168	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+ACN+Na"	64.015768
"1226027"	393.178468	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+ACN+Na"	64.015768
"1714547"	393.201993	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+NH4+HCOOH"	64.039293
"1183186"	132.710118	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+3Na"	68.967654
"1656360"	398.157388	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Na+HCOOH"	68.994688
"164315"	735.24444	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+2K-H"	76.91904
"601688"	1064.40714	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+2K-H"	76.91904
"1089478"	406.08174	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2K-H"	76.91904
"145569"	368.125858	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"2M+2K"	77.926316
"583304"	532.707208	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"3M+2K"	77.926316
"1073650"	203.544508	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2K"	77.926316
"1104673"	408.096292	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2K+H"	78.933592
"1335834"	408.183907	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+DMSO+H"	79.021207
"1013967"	412.223076	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2ACN+H"	83.060376
"1532095"	413.216708	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+IsoProp+Na+H"	84.054008
"1002553"	206.615176	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+2ACN+2H"	84.067652
"1598513"	414.131328	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+K+HCOOH"	84.968628
"1417613"	444.162838	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+H+CF3COOH"	115.000138
"1151181"	227.128451	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+3ACN+2H"	125.094202
"1704017"	461.189385	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+NH4+CF3COOH"	132.026685
"1635657"	466.14478	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+Na+CF3COOH"	136.98208
"1572766"	482.11872	"C09643"	"Sinomenine"	"C19H23NO4"	"329.1627"	"M+K+CF3COOH"	152.95602
"815652"	272.1049	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M"	0
"984687"	253.08651	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"72933"	180.395990666667	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"514681"	271.097624	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"891388"	89.6943573333333	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"6684"	271.097624	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"448430"	407.150074	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"827327"	135.045174	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"89506"	543.202524	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"521412"	815.307424	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"895925"	271.097624	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"47870"	560.229071	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"488164"	832.333971	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"864872"	288.124171	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"34478"	565.184466	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"475131"	837.289366	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"852932"	293.079566	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1622466"	293.079566	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"98991"	289.085963	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"543661"	425.138413	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"941678"	153.033513	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"281696"	579.179202	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"671438"	851.284102	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1287493"	307.074302	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"30537"	581.158406	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"470340"	853.263306	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"843032"	309.053506	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1568708"	309.053506	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"948208"	317.103094	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"371525"	589.208001	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"357598"	603.223651	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1500963"	331.118751	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"967411"	339.085051	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"116316"	307.074302	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"559161"	443.126752	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1034158"	171.021852	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1255804"	351.023785	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1311082"	353.079772	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1326393"	375.061729	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"924010"	385.090486	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1295253"	421.067164	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1378883"	237.092224	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1388728"	255.1022	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"292786"	545.217076	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"689580"	817.321976	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1364835"	273.112176	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"133351"	273.112176	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"572921"	409.164626	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1040625"	137.059726	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"210712"	182.410542666667	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"650271"	273.112176	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1165117"	91.7089093333333	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"429481"	562.243623	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"789749"	834.348523	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1693371"	290.138723	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"341648"	281.6254495	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"730790"	417.6778995	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1481330"	145.5729995	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"395636"	567.199018	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"764286"	839.303918	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1613477"	295.094118	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"321327"	284.103147	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"713749"	420.155597	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1470850"	148.050697	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1059720"	99.0362233333333	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1262494"	305.138386	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"382163"	583.172958	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"742065"	855.277858	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1540959"	311.068058	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"300564"	292.090117	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"693715"	428.142567	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1447902"	156.037667	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"240515"	586.243626	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1214316"	314.138726	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1196013"	157.573001	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"191070"	589.18096	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"629291"	861.28586	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1134132"	317.07606	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"174029"	295.094118	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"622463"	431.146568	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1123783"	159.041668	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1403296"	106.363537333333	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1437599"	319.117646	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"224378"	300.12714	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1515723"	333.16969	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"413586"	303.081088	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"777863"	439.133538	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1669818"	167.028638	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"253063"	608.225568	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1227595"	336.120668	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1723409"	336.144193	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1185484"	113.690851333333	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1653188"	341.099588	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"162236"	621.12884	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"601797"	893.23374	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1087400"	349.02394	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"146772"	311.068058	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"583172"	447.120508	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1072667"	175.015608	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1103690"	351.038492	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1345916"	351.126107	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1014078"	355.165276	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1533298"	356.158908	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"1002664"	178.086276	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1598623"	357.073528	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1422097"	387.105038	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1152384"	198.599551	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1710688"	404.131585	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1638685"	409.08698	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1579804"	425.06092	"C09644"	"26-Dihydroxy-4-methoxydihydrochalcone"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"812360"	252.1725	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M"	0
"983705"	233.15411	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-H2O-H"	-19.01839
"68670"	167.107724	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M-3H"	-3.021828
"508230"	251.165224	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M-3H"	-3.021828
"882751"	83.050224	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-3H"	-3.021828
"6794"	251.165224	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M-2H"	-2.014552
"446353"	377.251474	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M-2H"	-2.014552
"824157"	125.078974	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-2H"	-2.014552
"88522"	503.337724	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M-H"	-1.007276
"520063"	755.510224	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M-H"	-1.007276
"896151"	251.165224	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-H"	-1.007276
"47288"	520.364271	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M-2H+NH4"	16.019271
"489368"	772.536771	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M-2H+NH4"	16.019271
"864494"	268.191771	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-2H+NH4"	16.019271
"31666"	525.319666	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M-2H+Na"	20.974666
"476334"	777.492166	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M-2H+Na"	20.974666
"854135"	273.147166	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-2H+Na"	20.974666
"1620872"	273.147166	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Na-2H"	20.974666
"99102"	269.153563	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M-H+Cl"	33.962126
"543042"	395.239813	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M-H+Cl"	33.962126
"942152"	143.067313	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-H+Cl"	33.962126
"281927"	539.314402	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+Cl"	34.969402
"671912"	791.486902	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+Cl"	34.969402
"1287480"	287.141902	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Cl"	34.969402
"30769"	541.293606	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M-2H+K"	36.948606
"470569"	793.466106	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M-2H+K"	36.948606
"846058"	289.121106	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-2H+K"	36.948606
"1570765"	289.121106	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+K-2H"	36.948606
"951234"	297.170694	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-H+HCOOH"	44.998194
"371635"	549.343201	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+HCOOH-H"	44.998201
"355521"	563.358851	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+Hac-H"	59.013851
"1499980"	311.186351	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Hac-H"	59.013851
"967520"	319.152651	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-H+NaCOOH"	66.980151
"116061"	287.141902	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+2Cl"	69.938804
"559271"	413.228152	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+2Cl"	69.938804
"1033540"	161.055652	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2Cl"	69.938804
"1252026"	331.091385	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Br"	78.918885
"1311193"	333.147372	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Cl+HCOOH"	80.974872
"1326505"	355.129329	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Cl+NaCOOH"	102.956829
"923029"	365.158086	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M-H+CF3COOH"	112.985586
"1298645"	401.134764	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Cl+CF3COOH"	148.962264
"1382156"	217.159824	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H-2H2O"	-35.012676
"1385921"	235.1698	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H-H2O"	-17.0027
"293989"	505.352276	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+H"	1.007276
"687503"	757.524776	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+H"	1.007276
"1358387"	253.179776	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H"	1.007276
"130184"	253.179776	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+2H"	2.014552
"573028"	379.266026	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+2H"	2.014552
"1042922"	127.093526	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2H"	2.014552
"210822"	169.122276	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+3H"	3.021828
"650381"	253.179776	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+3H"	3.021828
"1168507"	85.064776	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+3H"	3.021828
"428135"	522.378823	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+NH4"	18.033823
"791683"	774.551323	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+NH4"	18.033823
"1689109"	270.206323	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+NH4"	18.033823
"337388"	261.6930495	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+H+NH4"	19.041099
"725433"	387.7792995	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+H+NH4"	19.041099
"1482535"	135.6067995	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H+NH4"	19.041099
"394288"	527.334218	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+Na"	22.989218
"758564"	779.506718	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+Na"	22.989218
"1616868"	275.161718	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Na"	22.989218
"323625"	264.170747	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+H+Na"	23.996494
"717138"	390.256997	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+H+Na"	23.996494
"1465492"	138.084497	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H+Na"	23.996494
"1058736"	92.39209	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2H+Na"	25.00377
"1258958"	285.205986	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+CH3OH+H"	33.033486
"379352"	543.308158	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+K"	38.963158
"740349"	795.480658	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+K"	38.963158
"1540947"	291.135658	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+K"	38.963158
"299581"	272.157717	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+H+K"	39.970434
"694921"	398.243967	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+H+K"	39.970434
"1449837"	146.071467	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H+K"	39.970434
"240629"	546.378826	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+ACN+H"	42.033826
"1213335"	294.206326	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+ACN+H"	42.033826
"1194542"	147.606801	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+ACN+2H"	43.041102
"188789"	549.31616	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+2Na-H"	44.97116
"628755"	801.48866	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+2Na-H"	44.97116
"1132176"	297.14366	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2Na-H"	44.97116
"173531"	275.161718	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+2Na"	45.978436
"622937"	401.247968	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+2Na"	45.978436
"1122068"	149.075468	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2Na"	45.978436
"1405593"	99.719404	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H+2Na"	46.985712
"1435156"	299.185246	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H+HCOOH"	47.012746
"225948"	280.19474	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+3H2O+2H"	56.04448
"1514012"	313.23729	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+IsoProp+H"	61.06479
"420259"	283.148688	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+Na+K"	61.952376
"775786"	409.234938	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+Na+K"	61.952376
"1667742"	157.062438	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Na+K"	61.952376
"254267"	568.360768	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+ACN+Na"	64.015768
"1232445"	316.188268	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+ACN+Na"	64.015768
"1718051"	316.211793	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+NH4+HCOOH"	64.039293
"1188874"	107.046718	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+3Na"	68.967654
"1660955"	321.167188	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Na+HCOOH"	68.994688
"168910"	581.26404	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+2K-H"	76.91904
"605188"	833.43654	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+2K-H"	76.91904
"1095170"	329.09154	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2K-H"	76.91904
"151986"	291.135658	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"2M+2K"	77.926316
"588266"	417.221908	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"3M+2K"	77.926316
"1072780"	165.049408	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2K"	77.926316
"1104895"	331.106092	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2K+H"	78.933592
"1347118"	331.193707	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+DMSO+H"	79.021207
"1016377"	335.232876	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2ACN+H"	83.060376
"1535596"	336.226508	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+IsoProp+Na+H"	84.054008
"1003507"	168.120076	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+2ACN+2H"	84.067652
"1601778"	337.141128	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+K+HCOOH"	84.968628
"1428767"	367.172638	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+H+CF3COOH"	115.000138
"1159055"	188.633351	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+3ACN+2H"	125.094202
"1705330"	384.199185	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+NH4+CF3COOH"	132.026685
"1638795"	389.15458	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+Na+CF3COOH"	136.98208
"1579914"	405.12852	"C09645"	"Cuauhtemone"	"C15H24O3"	"252.1725"	"M+K+CF3COOH"	152.95602
"817036"	286.1205	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M"	0
"989488"	267.10211	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-H2O-H"	-19.01839
"69876"	189.739724	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M-3H"	-3.021828
"516725"	285.113224	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M-3H"	-3.021828
"888331"	94.366224	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-3H"	-3.021828
"12372"	285.113224	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M-2H"	-2.014552
"454121"	428.173474	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M-2H"	-2.014552
"827548"	142.052974	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-2H"	-2.014552
"89726"	571.233724	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M-H"	-1.007276
"520906"	857.354224	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M-H"	-1.007276
"899437"	285.113224	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-H"	-1.007276
"51624"	588.260271	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M-2H+NH4"	16.019271
"492277"	874.380771	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M-2H+NH4"	16.019271
"875545"	302.139771	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-2H+NH4"	16.019271
"41260"	593.215666	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M-2H+Na"	20.974666
"484102"	879.336166	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M-2H+Na"	20.974666
"859716"	307.095166	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-2H+Na"	20.974666
"1628158"	307.095166	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Na-2H"	20.974666
"102500"	303.101563	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M-H+Cl"	33.962126
"544247"	446.161813	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M-H+Cl"	33.962126
"941532"	160.041313	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-H+Cl"	33.962126
"282244"	607.210402	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+Cl"	34.969402
"674090"	893.330902	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+Cl"	34.969402
"1286615"	321.089902	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Cl"	34.969402
"26986"	609.189606	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M-2H+K"	36.948606
"466547"	895.310106	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M-2H+K"	36.948606
"846537"	323.069106	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-2H+K"	36.948606
"1564557"	323.069106	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+K-2H"	36.948606
"954624"	331.118694	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-H+HCOOH"	44.998194
"372842"	617.239201	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+HCOOH-H"	44.998201
"353082"	631.254851	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+Hac-H"	59.013851
"1500091"	345.134351	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Hac-H"	59.013851
"966542"	353.100651	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-H+NaCOOH"	66.980151
"123833"	321.089902	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+2Cl"	69.938804
"557198"	464.150152	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+2Cl"	69.938804
"1027091"	178.029652	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2Cl"	69.938804
"1253959"	365.039385	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Br"	78.918885
"1310212"	367.095372	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Cl+HCOOH"	80.974872
"1325523"	389.077329	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Cl+NaCOOH"	102.956829
"922050"	399.106086	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M-H+CF3COOH"	112.985586
"1298760"	435.082764	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Cl+CF3COOH"	148.962264
"1375827"	251.107824	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H-2H2O"	-35.012676
"1393322"	269.1178	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H-H2O"	-17.0027
"289727"	573.248276	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+H"	1.007276
"683242"	859.368776	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+H"	1.007276
"1354490"	287.127776	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H"	1.007276
"129566"	287.127776	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+2H"	2.014552
"576419"	430.188026	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+2H"	2.014552
"1039750"	144.067526	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2H"	2.014552
"209838"	191.754276	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+3H"	3.021828
"650493"	287.127776	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+3H"	3.021828
"1166795"	96.380776	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+3H"	3.021828
"427517"	590.274823	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+NH4"	18.033823
"789243"	876.395323	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+NH4"	18.033823
"1689222"	304.154323	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+NH4"	18.033823
"335677"	295.6410495	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+H+NH4"	19.041099
"725910"	438.7012995	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+H+NH4"	19.041099
"1481186"	152.5807995	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H+NH4"	19.041099
"396222"	595.230218	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+Na"	22.989218
"757579"	881.350718	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+Na"	22.989218
"1604585"	309.109718	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Na"	22.989218
"320455"	298.118747	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+H+Na"	23.996494
"721381"	441.178997	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+H+Na"	23.996494
"1465968"	155.058497	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H+Na"	23.996494
"1056297"	103.70809	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2H+Na"	25.00377
"1259069"	319.153986	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+CH3OH+H"	33.033486
"379103"	611.204158	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+K"	38.963158
"740460"	897.324658	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+K"	38.963158
"1541175"	325.083658	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+K"	38.963158
"300173"	306.105717	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+H+K"	39.970434
"692113"	449.165967	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+H+K"	39.970434
"1447760"	163.045467	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H+K"	39.970434
"241832"	614.274826	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+ACN+H"	42.033826
"1215271"	328.154326	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+ACN+H"	42.033826
"1199154"	164.580801	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+ACN+2H"	43.041102
"190566"	617.21216	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+2Na-H"	44.97116
"636325"	903.33266	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+2Na-H"	44.97116
"1139465"	331.09166	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2Na-H"	44.97116
"179476"	309.109718	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+2Na"	45.978436
"618673"	452.169968	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+2Na"	45.978436
"1124730"	166.049468	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2Na"	45.978436
"1400111"	111.035404	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H+2Na"	46.985712
"1431132"	333.133246	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H+HCOOH"	47.012746
"229340"	314.14274	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+3H2O+2H"	56.04448
"1516307"	347.18529	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+IsoProp+H"	61.06479
"414901"	317.096688	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+Na+K"	61.952376
"774803"	460.156938	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+Na+K"	61.952376
"1670040"	174.036438	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Na+K"	61.952376
"254013"	636.256768	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+ACN+Na"	64.015768
"1234743"	350.136268	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+ACN+Na"	64.015768
"1719984"	350.159793	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+NH4+HCOOH"	64.039293
"1184976"	118.362718	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+3Na"	68.967654
"1656691"	355.115188	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Na+HCOOH"	68.994688
"166833"	649.16004	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+2K-H"	76.91904
"609676"	935.28054	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+2K-H"	76.91904
"1097106"	363.03954	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2K-H"	76.91904
"147723"	325.083658	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"2M+2K"	77.926316
"588378"	468.143908	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"3M+2K"	77.926316
"1076172"	182.023408	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2K"	77.926316
"1111567"	365.054092	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2K+H"	78.933592
"1349050"	365.141707	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+DMSO+H"	79.021207
"1020499"	369.180876	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2ACN+H"	83.060376
"1537530"	370.174508	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+IsoProp+Na+H"	84.054008
"1003613"	185.094076	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+2ACN+2H"	84.067652
"1598844"	371.089128	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+K+HCOOH"	84.968628
"1424504"	401.120638	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+H+CF3COOH"	115.000138
"1153699"	205.607351	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+3ACN+2H"	125.094202
"1710544"	418.147185	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+NH4+CF3COOH"	132.026685
"1639998"	423.10258	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+Na+CF3COOH"	136.98208
"1580024"	439.07652	"C09646"	"73-Dihydroxy-4-methoxy-8-methylflavan"	"C17H18O4"	"286.1205"	"M+K+CF3COOH"	152.95602
"813675"	204.1878	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M"	0
"983925"	185.16941	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"73266"	135.117924	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517078"	203.180524	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"888441"	67.055324	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"12482"	203.180524	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"453136"	305.274424	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"821462"	101.086624	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"86556"	407.368324	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"523932"	611.556124	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"899547"	203.180524	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51734"	424.394871	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"492387"	628.582671	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"865572"	220.207071	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"33352"	429.350266	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479838"	633.538066	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858732"	225.162466	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620977"	225.162466	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"100423"	221.168863	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"546545"	323.262763	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"941033"	119.074963	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281906"	443.345002	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"672134"	647.532802	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285631"	239.157202	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"26003"	445.324206	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464471"	649.512006	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"840084"	241.136406	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562481"	241.136406	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956923"	249.185994	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371856"	453.373801	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"352462"	467.389451	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1500201"	263.201651	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965556"	271.167951	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120298"	239.157202	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562410"	341.251102	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036924"	137.063302	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1256257"	283.106685	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1311416"	285.162672	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1324537"	307.144629	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921066"	317.173386	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302148"	353.150064	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1382133"	169.175124	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394525"	187.1851	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"292024"	409.382876	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"686632"	613.570676	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356423"	205.195076	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H"	1.007276
"129676"	205.195076	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"578716"	307.288976	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039496"	103.101176	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"215416"	137.132476	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"650603"	205.195076	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1167635"	69.069876	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"427992"	426.409423	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"791176"	630.597223	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1687507"	222.221623	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"337973"	213.7083495	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729665"	315.8022495	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1482757"	111.6144495	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396333"	431.364818	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"755502"	635.552618	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603964"	227.177018	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"318378"	216.186047	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"720640"	318.279947	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1466078"	114.092147	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1055314"	76.39719	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1260271"	237.221286	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379212"	447.338758	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739843"	651.526558	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540436"	243.150958	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300165"	224.173017	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692953"	326.266917	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448964"	122.079117	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"238660"	450.409426	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1215016"	246.221626	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195618"	123.614451	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"192863"	453.34676	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"640809"	657.53456	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1137389"	249.15896	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"185419"	227.177018	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"620970"	329.270918	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1119736"	125.083118	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1400708"	83.724504	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1431123"	251.200546	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"228357"	232.21004	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1516417"	265.25259	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"416104"	235.163988	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"776006"	337.257888	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1673430"	133.070088	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253027"	472.391368	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1229020"	268.203568	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719730"	268.227093	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1184722"	91.051818	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1650196"	273.182488	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"164026"	485.29464	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603586"	689.48244	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1091018"	281.10684	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"148928"	243.150958	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"593957"	345.244858	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079561"	141.057058	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110221"	283.121392	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345878"	283.209007	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1012221"	287.248176	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1537274"	288.241808	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001170"	144.127726	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600777"	289.156428	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1420241"	319.187938	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1153810"	164.641001	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1710654"	336.214485	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1639015"	341.16988	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1580134"	357.14382	"C09647"	"alpha-Cubebene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"812691"	204.1878	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M"	0
"984035"	185.16941	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"73376"	135.117924	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517309"	203.180524	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"888551"	67.055324	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"12592"	203.180524	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"449966"	305.274424	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"821208"	101.086624	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"86666"	407.368324	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"525135"	611.556124	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"897833"	203.180524	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"50384"	424.394871	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"489580"	628.582671	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"864829"	220.207071	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"31578"	429.350266	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"473387"	633.538066	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"857749"	225.162466	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1622908"	225.162466	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99433"	221.168863	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"543371"	323.262763	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"940901"	119.074963	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"282137"	443.345002	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"671151"	647.532802	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285741"	239.157202	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"26113"	445.324206	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464581"	649.512006	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"839100"	241.136406	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1563684"	241.136406	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"955940"	249.185994	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"370872"	453.373801	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"350385"	467.389451	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499217"	263.201651	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965665"	271.167951	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"118950"	239.157202	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"556323"	341.251102	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1031684"	137.063302	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252356"	283.106685	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1310433"	285.162672	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1323554"	307.144629	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920083"	317.173386	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302258"	353.150064	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1381515"	169.175124	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1391355"	187.1851	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"292134"	409.382876	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"685649"	613.570676	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356532"	205.195076	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H"	1.007276
"129786"	205.195076	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"579798"	307.288976	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039240"	103.101176	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"216619"	137.132476	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651806"	205.195076	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1168109"	69.069876	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"426643"	426.409423	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"791650"	630.597223	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1686524"	222.221623	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"335533"	213.7083495	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"727952"	315.8022495	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1481774"	111.6144495	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396443"	431.364818	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"755611"	635.552618	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604073"	227.177018	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"318488"	216.186047	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"716376"	318.279947	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1468011"	114.092147	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1055423"	76.39719	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258558"	237.221286	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"378958"	447.338758	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739586"	651.526558	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540298"	243.150958	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299546"	224.173017	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692332"	326.266917	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1449071"	122.079117	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"236945"	450.409426	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210180"	246.221626	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1194383"	123.614451	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"190178"	453.34676	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"632899"	657.53456	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1133489"	249.15896	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"177874"	227.177018	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"619985"	329.270918	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1118387"	125.083118	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1398483"	83.724504	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1430625"	251.200546	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"228466"	232.21004	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1517620"	265.25259	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"412933"	235.163988	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"776116"	337.257888	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1673540"	133.070088	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"251799"	472.391368	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1229859"	268.203568	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719111"	268.227093	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1183373"	91.051818	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1650101"	273.182488	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"164500"	485.29464	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603696"	689.48244	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1093314"	281.10684	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"147945"	243.150958	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"593703"	345.244858	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079307"	141.057058	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1109238"	283.121392	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344167"	283.209007	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1012331"	287.248176	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1537384"	288.241808	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1000916"	144.127726	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600158"	289.156428	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1420351"	319.187938	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1153920"	164.641001	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711128"	336.214485	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641311"	341.16988	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1580244"	357.14382	"C09648"	"beta-Cubebene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"815717"	202.1722	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M"	0
"984145"	183.15381	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-H2O-H"	-19.01839
"75674"	133.774190666667	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M-3H"	-3.021828
"518232"	201.164924	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M-3H"	-3.021828
"893037"	66.3834573333333	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-3H"	-3.021828
"11611"	201.164924	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M-2H"	-2.014552
"446798"	302.251024	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M-2H"	-2.014552
"831646"	100.078824	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-2H"	-2.014552
"86777"	403.337124	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M-H"	-1.007276
"521963"	605.509324	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M-H"	-1.007276
"901953"	201.164924	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-H"	-1.007276
"50860"	420.363671	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M-2H+NH4"	16.019271
"494793"	622.535871	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M-2H+NH4"	16.019271
"866156"	218.191471	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-2H+NH4"	16.019271
"31991"	425.319066	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M-2H+Na"	20.974666
"480059"	627.491266	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M-2H+Na"	20.974666
"855672"	223.146866	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-2H+Na"	20.974666
"1624114"	223.146866	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Na-2H"	20.974666
"99547"	219.153263	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M-H+Cl"	33.962126
"538379"	320.239363	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M-H+Cl"	33.962126
"940281"	118.067163	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-H+Cl"	33.962126
"282006"	439.313802	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+Cl"	34.969402
"671262"	641.486002	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+Cl"	34.969402
"1285852"	237.141602	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Cl"	34.969402
"26224"	441.293006	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M-2H+K"	36.948606
"464691"	643.465206	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M-2H+K"	36.948606
"839212"	239.120806	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-2H+K"	36.948606
"1565982"	239.120806	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+K-2H"	36.948606
"948397"	247.170394	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-H+HCOOH"	44.998194
"372079"	449.342601	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+HCOOH-H"	44.998201
"354870"	463.358251	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+Hac-H"	59.013851
"1497142"	261.186051	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Hac-H"	59.013851
"960312"	269.152351	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-H+NaCOOH"	66.980151
"120883"	237.141602	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+2Cl"	69.938804
"559351"	338.227702	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+2Cl"	69.938804
"1035805"	136.055502	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2Cl"	69.938804
"1253195"	281.091085	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Br"	78.918885
"1314919"	283.147072	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Cl+HCOOH"	80.974872
"1333510"	305.129029	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Cl+NaCOOH"	102.956829
"921289"	315.157786	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M-H+CF3COOH"	112.985586
"1295809"	351.134464	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Cl+CF3COOH"	148.962264
"1375064"	167.159524	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H-2H2O"	-35.012676
"1386000"	185.1695	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H-H2O"	-17.0027
"291152"	405.351676	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+H"	1.007276
"680294"	607.523876	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+H"	1.007276
"1357737"	203.179476	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H"	1.007276
"138281"	203.179476	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+2H"	2.014552
"576749"	304.265576	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+2H"	2.014552
"1039715"	102.093376	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2H"	2.014552
"209440"	135.788742666667	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+3H"	3.021828
"646079"	203.179476	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+3H"	3.021828
"1164572"	68.3980093333333	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+3H"	3.021828
"430400"	422.378223	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+NH4"	18.033823
"789938"	624.550423	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+NH4"	18.033823
"1688455"	220.206023	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+NH4"	18.033823
"332360"	211.6927495	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+H+NH4"	19.041099
"727335"	312.7788495	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+H+NH4"	19.041099
"1482977"	110.6066495	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H+NH4"	19.041099
"399471"	427.333618	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+Na"	22.989218
"756819"	629.505818	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+Na"	22.989218
"1604309"	225.161418	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Na"	22.989218
"326253"	214.170447	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+H+Na"	23.996494
"721835"	315.256547	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+H+Na"	23.996494
"1469215"	113.084347	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H+Na"	23.996494
"1057357"	75.7253233333333	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2H+Na"	25.00377
"1259037"	235.205686	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+CH3OH+H"	33.033486
"379432"	443.307558	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+K"	38.963158
"741524"	645.479758	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+K"	38.963158
"1540659"	241.135358	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+K"	38.963158
"299656"	222.157417	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+H+K"	39.970434
"692074"	323.243517	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+H+K"	39.970434
"1446994"	121.071317	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H+K"	39.970434
"237056"	446.378226	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+ACN+H"	42.033826
"1216330"	244.206026	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+ACN+H"	42.033826
"1195838"	122.606651	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+ACN+2H"	43.041102
"200375"	449.31556	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+2Na-H"	44.97116
"637019"	651.48776	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+2Na-H"	44.97116
"1138703"	247.14336	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2Na-H"	44.97116
"180899"	225.161418	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+2Na"	45.978436
"621553"	326.247518	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+2Na"	45.978436
"1118497"	124.075318	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2Na"	45.978436
"1398983"	83.0526373333333	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H+2Na"	46.985712
"1439609"	249.184946	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H+HCOOH"	47.012746
"231493"	230.19444	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+3H2O+2H"	56.04448
"1519189"	263.23699	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+IsoProp+H"	61.06479
"413043"	233.148388	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+Na+K"	61.952376
"771850"	334.234488	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+Na+K"	61.952376
"1665700"	132.062288	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Na+K"	61.952376
"255801"	468.360168	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+ACN+Na"	64.015768
"1227053"	266.187968	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+ACN+Na"	64.015768
"1718128"	266.211493	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+NH4+HCOOH"	64.039293
"1179513"	90.3799513333333	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+3Na"	68.967654
"1658477"	271.166888	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Na+HCOOH"	68.994688
"159871"	481.26344	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+2K-H"	76.91904
"611464"	683.43564	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+2K-H"	76.91904
"1094154"	279.09124	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2K-H"	76.91904
"150972"	241.135358	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"2M+2K"	77.926316
"589803"	342.221458	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"3M+2K"	77.926316
"1078690"	140.049258	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2K"	77.926316
"1111902"	281.105792	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2K+H"	78.933592
"1349016"	281.193407	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+DMSO+H"	79.021207
"1015723"	285.232576	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2ACN+H"	83.060376
"1534943"	286.226208	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+IsoProp+Na+H"	84.054008
"999204"	143.119926	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+2ACN+2H"	84.067652
"1595893"	287.140828	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+K+HCOOH"	84.968628
"1420462"	317.172338	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+H+CF3COOH"	115.000138
"1152935"	163.633201	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+3ACN+2H"	125.094202
"1700299"	334.198885	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+NH4+CF3COOH"	132.026685
"1641421"	339.15428	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+Na+CF3COOH"	136.98208
"1574156"	355.12822	"C09649"	"alpha-Curcumene;l-alpha-Curcumene;(-)-alpha-Curcumene;(R)-1-(15-Dimethyl-4-hexenyl)-4-methylbenzene"	"C15H22"	"202.1722"	"M+K+CF3COOH"	152.95602
"810723"	256.1099	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M"	0
"977694"	237.09151	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-H2O-H"	-19.01839
"70309"	169.732657333333	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M-3H"	-3.021828
"517530"	255.102624	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M-3H"	-3.021828
"893513"	84.3626906666667	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-3H"	-3.021828
"9534"	255.102624	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M-2H"	-2.014552
"446908"	383.157574	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M-2H"	-2.014552
"830542"	127.047674	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-2H"	-2.014552
"91625"	511.212524	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M-H"	-1.007276
"521708"	767.322424	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M-H"	-1.007276
"902063"	255.102624	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-H"	-1.007276
"52063"	528.239071	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M-2H+NH4"	16.019271
"494903"	784.348971	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M-2H+NH4"	16.019271
"866388"	272.129171	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-2H+NH4"	16.019271
"33194"	533.194466	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M-2H+Na"	20.974666
"479075"	789.304366	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M-2H+Na"	20.974666
"854689"	277.084566	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-2H+Na"	20.974666
"1622037"	277.084566	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Na-2H"	20.974666
"100750"	273.090963	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M-H+Cl"	33.962126
"540311"	401.145913	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M-H+Cl"	33.962126
"932732"	145.036013	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-H+Cl"	33.962126
"281989"	547.189202	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+Cl"	34.969402
"668093"	803.299102	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+Cl"	34.969402
"1282681"	291.079302	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Cl"	34.969402
"20864"	549.168406	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M-2H+K"	36.948606
"466988"	805.278306	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M-2H+K"	36.948606
"833856"	293.058506	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-2H+K"	36.948606
"1566092"	293.058506	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+K-2H"	36.948606
"952881"	301.108094	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-H+HCOOH"	44.998194
"368909"	557.218001	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+HCOOH-H"	44.998201
"351700"	571.233651	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+Hac-H"	59.013851
"1494458"	315.123751	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Hac-H"	59.013851
"964796"	323.090051	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-H+NaCOOH"	66.980151
"119170"	291.079302	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+2Cl"	69.938804
"556545"	419.134252	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+2Cl"	69.938804
"1028625"	163.024352	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2Cl"	69.938804
"1251483"	335.028785	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Br"	78.918885
"1315029"	337.084772	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Cl+HCOOH"	80.974872
"1328153"	359.066729	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Cl+NaCOOH"	102.956829
"915932"	369.095486	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M-H+CF3COOH"	112.985586
"1299199"	405.072164	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Cl+CF3COOH"	148.962264
"1375174"	221.097224	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H-2H2O"	-35.012676
"1382827"	239.1072	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H-H2O"	-17.0027
"287982"	513.227076	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+H"	1.007276
"682591"	769.336976	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+H"	1.007276
"1354567"	257.117176	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H"	1.007276
"130737"	257.117176	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+2H"	2.014552
"567382"	385.172126	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+2H"	2.014552
"1040192"	129.062226	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2H"	2.014552
"206634"	171.747209333333	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+3H"	3.021828
"645466"	257.117176	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+3H"	3.021828
"1165415"	86.3772426666667	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+3H"	3.021828
"430510"	530.253623	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+NH4"	18.033823
"789320"	786.363523	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+NH4"	18.033823
"1686377"	274.143723	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+NH4"	18.033823
"331742"	265.6304495	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+H+NH4"	19.041099
"724892"	393.6853995	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+H+NH4"	19.041099
"1480900"	137.5754995	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H+NH4"	19.041099
"397394"	535.209018	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+Na"	22.989218
"755835"	791.318918	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+Na"	22.989218
"1603570"	279.099118	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Na"	22.989218
"319802"	268.108147	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+H+Na"	23.996494
"717690"	396.163097	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+H+Na"	23.996494
"1470416"	140.053197	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H+Na"	23.996494
"1055279"	93.7045566666666	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2H+Na"	25.00377
"1260240"	289.143386	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+CH3OH+H"	33.033486
"379542"	551.182958	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+K"	38.963158
"740177"	807.292858	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+K"	38.963158
"1540892"	295.073058	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+K"	38.963158
"299766"	276.095117	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+H+K"	39.970434
"694376"	404.150067	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+H+K"	39.970434
"1446377"	148.040167	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H+K"	39.970434
"237166"	554.253626	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+ACN+H"	42.033826
"1216076"	298.143726	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+ACN+H"	42.033826
"1195583"	149.575501	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+ACN+2H"	43.041102
"200485"	557.19096	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+2Na-H"	44.97116
"636765"	813.30086	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+2Na-H"	44.97116
"1139178"	301.08106	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2Na-H"	44.97116
"180645"	279.099118	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+2Na"	45.978436
"620935"	407.154068	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+2Na"	45.978436
"1118607"	151.044168	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2Na"	45.978436
"1403955"	101.031870666667	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H+2Na"	46.985712
"1440083"	303.122646	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H+HCOOH"	47.012746
"229780"	284.13214	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+3H2O+2H"	56.04448
"1520756"	317.17469	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+IsoProp+H"	61.06479
"414246"	287.086088	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+Na+K"	61.952376
"773055"	415.141038	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+Na+K"	61.952376
"1666710"	159.031138	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Na+K"	61.952376
"252507"	576.235568	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+ACN+Na"	64.015768
"1228620"	320.125668	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+ACN+Na"	64.015768
"1713863"	320.149193	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+NH4+HCOOH"	64.039293
"1179339"	108.359184666667	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+3Na"	68.967654
"1652390"	325.104588	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Na+HCOOH"	68.994688
"162168"	589.13884	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+2K-H"	76.91904
"605010"	845.24874	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+2K-H"	76.91904
"1090615"	333.02894	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2K-H"	76.91904
"144154"	295.073058	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"2M+2K"	77.926316
"584444"	423.128008	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"3M+2K"	77.926316
"1073332"	167.018108	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2K"	77.926316
"1105448"	335.043492	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2K+H"	78.933592
"1341835"	335.131107	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+DMSO+H"	79.021207
"1009272"	339.170276	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2ACN+H"	83.060376
"1534688"	340.163908	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+IsoProp+Na+H"	84.054008
"996033"	170.088776	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+2ACN+2H"	84.067652
"1592723"	341.078528	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+K+HCOOH"	84.968628
"1418385"	371.110038	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+H+CF3COOH"	115.000138
"1149765"	190.602051	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+3ACN+2H"	125.094202
"1697492"	388.136585	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+NH4+CF3COOH"	132.026685
"1640438"	393.09198	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+Na+CF3COOH"	136.98208
"1574994"	409.06592	"C09650"	"74-Dihydroxy-8-methylflavan"	"C16H16O3"	"256.1099"	"M+K+CF3COOH"	152.95602
"810833"	222.1984	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M"	0
"976345"	203.18001	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"68232"	147.124990666667	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"505608"	221.191124	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"892164"	73.0588573333333	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"9644"	221.191124	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"449205"	332.290324	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"828098"	110.091924	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"86995"	443.389524	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"523278"	665.587924	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"899986"	221.191124	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"49621"	460.416071	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"491734"	682.614471	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"865405"	238.217671	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"34156"	465.371466	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"475905"	687.569866	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"855892"	243.173066	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1621053"	243.173066	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"98673"	239.179463	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"540419"	350.278663	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"930652"	128.080263	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"282724"	479.366202	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"668203"	701.564602	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1281698"	257.167802	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"20974"	481.345406	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"469650"	703.543806	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"833966"	259.147006	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1566202"	259.147006	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"952991"	267.196594	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"369019"	489.395001	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"348530"	503.410651	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1494568"	281.212251	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"963811"	289.178551	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"115999"	257.167802	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"556653"	368.267002	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1032015"	146.068602	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1253781"	301.117285	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1309671"	303.173272	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1328263"	325.155229	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"916042"	335.183986	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1298216"	371.160664	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1375284"	187.185724	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1383541"	205.1957	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"288092"	445.404076	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"679421"	667.602476	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1356134"	223.205676	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"128659"	223.205676	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"568949"	334.304876	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1040301"	112.106476	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"206015"	149.139542666667	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"645211"	223.205676	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1163580"	75.0734093333333	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"429891"	462.430623	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790887"	684.629023	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1686487"	240.232223	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"332946"	231.7189495	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"726462"	342.8181495	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1481010"	120.6197495	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"396775"	467.386018	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"756310"	689.584418	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1603558"	245.187618	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"321006"	234.196647	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"719987"	345.295847	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1468341"	123.097447	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1056117"	82.4007233333333	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1257474"	255.231886	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"380745"	483.359958	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"739558"	705.558358	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1540267"	261.161558	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"298901"	242.183617	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"693393"	353.282817	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1445877"	131.084417	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"236179"	486.430626	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1217279"	264.232226	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1196787"	132.619751	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"201324"	489.36796	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"636875"	711.56636	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1141475"	267.16956	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"182578"	245.187618	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"619952"	356.286818	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1118717"	134.088418	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1401027"	89.7280373333333	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1436913"	269.211146	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"230255"	250.22064	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1520138"	283.26319	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"414356"	253.174588	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"773165"	364.273788	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1666820"	142.075388	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"253835"	508.412568	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1227272"	286.214168	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1716522"	286.237693	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1181876"	97.0553513333333	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1652863"	291.193088	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"158143"	521.31584	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"598800"	743.51424	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1090361"	299.11744	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"144263"	261.161558	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"584554"	372.260758	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1073442"	150.062358	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1105558"	301.131992	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1341945"	301.219607	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1012662"	305.258776	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1534433"	306.252408	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"995050"	153.133026	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1592833"	307.167028	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1418495"	337.198538	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1147689"	173.646301	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1699060"	354.225085	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1640548"	359.18048	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1574011"	375.15442	"C09651"	"Cycloeudesmol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"814223"	238.1933	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M"	0
"979007"	219.17491	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"70529"	157.788257333333	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"511185"	237.186024	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"888987"	78.3904906666667	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"11938"	237.186024	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"450407"	356.282674	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"828208"	118.089374	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"89292"	475.379324	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"523388"	713.572624	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"900096"	237.186024	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"50461"	492.405871	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"491844"	730.599171	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"866366"	254.212571	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"35360"	497.361266	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"476015"	735.554566	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"856002"	259.167966	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1624443"	259.167966	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"99876"	255.174363	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"539436"	374.271013	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"930762"	136.077713	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"282831"	511.356002	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"668313"	749.549302	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1281808"	273.162702	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"25460"	513.335206	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"469031"	751.528506	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"839543"	275.141906	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1567406"	275.141906	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"955289"	283.191494	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"368037"	521.384801	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"350826"	535.400451	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1497472"	297.207151	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"960641"	305.173451	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"112828"	273.162702	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"554576"	392.259352	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1035405"	154.066052	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1253889"	317.112185	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1307958"	319.168172	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1329464"	341.150129	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"916152"	351.178886	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1298326"	387.155564	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1375394"	203.180624	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1384507"	221.1906	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"291482"	477.393876	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"681718"	715.587176	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1358067"	239.200576	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"128769"	239.200576	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"569788"	358.297226	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1041506"	120.103926	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"206367"	159.802809333333	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"646049"	239.200576	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1164542"	80.4050426666667	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"429638"	494.420423	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"788811"	732.613723	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1684775"	256.227123	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"334150"	247.7138495	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"725479"	366.8104995	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1478325"	128.6171995	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"393603"	499.375818	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"755691"	737.569118	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1604152"	261.182518	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"324396"	250.191547	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"720097"	369.288197	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1469543"	131.094897	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1055499"	87.7323566666667	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1260094"	271.226786	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"378670"	515.349758	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"742220"	753.543058	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1540009"	277.156458	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"299254"	258.178517	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"691919"	377.275167	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1446347"	139.081867	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"235800"	518.420426	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1216296"	280.227126	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1195926"	140.617201	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"201070"	521.35776	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"633705"	759.55106	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1136846"	283.16446	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"181595"	261.182518	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"622248"	380.279168	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1119190"	142.085868	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1400527"	95.0596706666667	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1433741"	285.206046	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"227811"	266.21554	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1520248"	299.25809	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"415559"	269.169488	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"775462"	388.266138	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1668145"	150.072838	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"253216"	540.402368	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1228112"	302.209068	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1716632"	302.232593	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1180893"	102.386984666667	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1654067"	307.187988	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"162387"	553.30564	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"601219"	791.49894	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1090471"	315.11234	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"144130"	277.156458	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"584664"	396.253108	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1074645"	158.059808	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1105668"	317.126892	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1342055"	317.214507	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1012772"	321.253676	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1535271"	322.247308	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"995160"	161.130476	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1592943"	323.161928	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1417512"	353.193438	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1148892"	181.643751	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1698441"	370.219985	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1640658"	375.17538	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1574121"	391.14932	"C09652"	"Daucol"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"811054"	238.1933	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M"	0
"981305"	219.17491	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"69546"	157.788257333333	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"505828"	237.186024	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"882537"	78.3904906666667	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"11684"	237.186024	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"450517"	356.282674	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"831234"	118.089374	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"90131"	475.379324	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"524592"	713.572624	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"902393"	237.186024	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"49477"	492.405871	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"494870"	730.599171	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"865383"	254.212571	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"34377"	497.361266	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"473938"	735.554566	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"852832"	259.167966	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1622366"	259.167966	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"101080"	255.174363	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"538453"	374.271013	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"931237"	136.077713	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"282607"	511.356002	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"668420"	749.549302	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1279731"	273.162702	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"25570"	513.335206	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"465861"	751.528506	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"839653"	275.141906	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1567516"	275.141906	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"954306"	283.191494	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"368147"	521.384801	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"353122"	535.400451	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1497583"	297.207151	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"960872"	305.173451	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"118407"	273.162702	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"557966"	392.259352	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1035152"	154.066052	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1255093"	317.112185	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1306611"	319.168172	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1328481"	341.150129	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"916262"	351.178886	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1298436"	387.155564	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1378421"	203.180624	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1383281"	221.1906	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"291592"	477.393876	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"676482"	715.587176	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1354897"	239.200576	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"126204"	239.200576	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"573906"	358.297226	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1040882"	120.103926	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"206598"	159.802809333333	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"644701"	239.200576	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1163187"	80.4050426666667	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"424680"	494.420423	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"787825"	732.613723	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1686709"	256.227123	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"332073"	247.7138495	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"723401"	366.8104995	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1477422"	128.6171995	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"394443"	499.375818	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"754831"	737.569118	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1603089"	261.182518	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"316853"	250.191547	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"711462"	369.288197	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1467468"	131.094897	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1055609"	87.7323566666667	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1260205"	271.226786	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"381333"	515.349758	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"739413"	753.543058	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1540737"	277.156458	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"298646"	258.178517	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"691746"	377.275167	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1446704"	139.081867	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"236035"	518.420426	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1216406"	280.227126	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1197007"	140.617201	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"201546"	521.35776	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"632722"	759.55106	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1138415"	283.16446	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"182798"	261.182518	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"622359"	380.279168	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1119667"	142.085868	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1403923"	95.0596706666667	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1437133"	285.206046	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"229016"	266.21554	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1520722"	299.25809	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"415669"	269.169488	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"775572"	388.266138	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1667891"	150.072838	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"254055"	540.402368	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1229316"	302.209068	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1715650"	302.232593	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1179913"	102.386984666667	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1650899"	307.187988	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"163592"	553.30564	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"603883"	791.49894	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1092769"	315.11234	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"144119"	277.156458	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"584774"	396.253108	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1073662"	158.059808	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1103590"	317.126892	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1349457"	317.214507	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1017259"	321.253676	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1533196"	322.247308	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"995270"	161.130476	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1593053"	323.161928	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1418350"	353.193438	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1149367"	181.643751	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1705114"	370.219985	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1634327"	375.17538	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1574231"	391.14932	"C09653"	"Debneyol"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"811164"	622.3043	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M"	0
"981415"	603.28591	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-H2O-H"	-19.01839
"66740"	413.862257333333	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M-3H"	-3.021828
"506303"	621.297024	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M-3H"	-3.021828
"883010"	206.427490666667	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-3H"	-3.021828
"12887"	621.297024	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H"	-2.014552
"453907"	932.449174	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H"	-2.014552
"832321"	310.144874	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H"	-2.014552
"90241"	1243.601324	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M-H"	-1.007276
"527981"	1865.905624	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M-H"	-1.007276
"903596"	621.297024	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-H"	-1.007276
"52503"	1260.627871	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H+NH4"	16.019271
"495344"	1882.932171	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H+NH4"	16.019271
"868408"	638.323571	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H+NH4"	16.019271
"38858"	1265.583266	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H+Na"	20.974666
"478420"	1887.887566	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H+Na"	20.974666
"857313"	643.278966	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H+Na"	20.974666
"1625754"	643.278966	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na-2H"	20.974666
"104105"	639.285363	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M-H+Cl"	33.962126
"543664"	950.437513	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M-H+Cl"	33.962126
"935355"	328.133213	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+Cl"	33.962126
"280848"	1279.578002	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Cl"	34.969402
"664157"	1901.882302	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+Cl"	34.969402
"1279841"	657.273702	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl"	34.969402
"25678"	1281.557206	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H+K"	36.948606
"467428"	1903.861506	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H+K"	36.948606
"841949"	659.252906	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H+K"	36.948606
"1568718"	659.252906	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+K-2H"	36.948606
"955509"	667.302494	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+HCOOH"	44.998194
"369350"	1289.606801	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+HCOOH-H"	44.998201
"353232"	1303.622451	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Hac-H"	59.013851
"1497693"	681.318151	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Hac-H"	59.013851
"960860"	689.284451	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+NaCOOH"	66.980151
"119610"	657.273702	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2Cl"	69.938804
"556982"	968.425852	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2Cl"	69.938804
"1035262"	346.121552	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2Cl"	69.938804
"1255203"	701.223185	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Br"	78.918885
"1306721"	703.279172	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl+HCOOH"	80.974872
"1328591"	725.261129	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl+NaCOOH"	102.956829
"916372"	735.289886	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+CF3COOH"	112.985586
"1300735"	771.266564	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl+CF3COOH"	148.962264
"1375615"	587.291624	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H-2H2O"	-35.012676
"1386551"	605.3016	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H-H2O"	-17.0027
"292795"	1245.615876	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H"	1.007276
"677564"	1867.920176	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H"	1.007276
"1356100"	623.311576	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H"	1.007276
"127168"	623.311576	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2H"	2.014552
"577296"	934.463726	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2H"	2.014552
"1042814"	312.159426	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2H"	2.014552
"207801"	415.876809333333	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+3H"	3.021828
"644811"	623.311576	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+3H"	3.021828
"1164026"	208.442042666667	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+3H"	3.021828
"425236"	1262.642423	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+NH4"	18.033823
"787934"	1884.946723	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+NH4"	18.033823
"1690098"	640.338123	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+NH4"	18.033823
"335098"	631.8248495	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H+NH4"	19.041099
"725697"	942.9769995	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H+NH4"	19.041099
"1482432"	320.6726995	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+NH4"	19.041099
"395647"	1267.597818	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Na"	22.989218
"754941"	1889.902118	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+Na"	22.989218
"1604012"	645.293518	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na"	22.989218
"315139"	634.302547	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H+Na"	23.996494
"712665"	945.454697	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H+Na"	23.996494
"1466482"	323.150397	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+Na"	23.996494
"1056450"	215.769356666667	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2H+Na"	25.00377
"1261409"	655.337786	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+CH3OH+H"	33.033486
"384359"	1283.571758	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+K"	38.963158
"744260"	1905.876058	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+K"	38.963158
"1543033"	661.267458	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+K"	38.963158
"301303"	642.289517	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H+K"	39.970434
"692629"	953.441667	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H+K"	39.970434
"1448636"	331.137367	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+K"	39.970434
"237606"	1286.642426	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+ACN+H"	42.033826
"1216516"	664.338126	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+ACN+H"	42.033826
"1198212"	332.672701	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+ACN+2H"	43.041102
"202628"	1289.57976	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2Na-H"	44.97116
"632101"	1911.88406	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2Na-H"	44.97116
"1138525"	667.27546	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2Na-H"	44.97116
"185096"	645.293518	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2Na"	45.978436
"623562"	956.445668	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2Na"	45.978436
"1120504"	334.141368	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2Na"	45.978436
"1406219"	223.096670666667	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+2Na"	46.985712
"1440523"	669.317046	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+HCOOH"	47.012746
"231312"	650.32654	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+3H2O+2H"	56.04448
"1518280"	683.36909	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+H"	61.06479
"415779"	653.280488	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Na+K"	61.952376
"775682"	964.432638	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+Na+K"	61.952376
"1667999"	342.128338	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na+K"	61.952376
"253068"	1308.624368	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+ACN+Na"	64.015768
"1229060"	686.320068	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+ACN+Na"	64.015768
"1714667"	686.343593	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+NH4+HCOOH"	64.039293
"1182207"	230.423984666667	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+3Na"	68.967654
"1652102"	691.298988	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na+HCOOH"	68.994688
"159693"	1321.52764	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2K-H"	76.91904
"599253"	1943.83194	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2K-H"	76.91904
"1088505"	699.22334	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2K-H"	76.91904
"141917"	661.267458	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2K"	77.926316
"582818"	972.419608	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2K"	77.926316
"1073771"	350.115308	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2K"	77.926316
"1104793"	701.237892	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2K+H"	78.933592
"1348474"	701.325507	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+DMSO+H"	79.021207
"1015181"	705.364676	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2ACN+H"	83.060376
"1531848"	706.358308	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+Na+H"	84.054008
"998661"	353.185976	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+2ACN+2H"	84.067652
"1593163"	707.272928	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+K+HCOOH"	84.968628
"1421012"	737.304438	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+CF3COOH"	115.000138
"1149477"	373.699251	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+3ACN+2H"	125.094202
"1705224"	754.330985	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+NH4+CF3COOH"	132.026685
"1634680"	759.28638	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na+CF3COOH"	136.98208
"1573248"	775.26032	"C09654"	"()-Tetrandrine;Tetrandrine"	"C38H42N2O6"	"622.3043"	"M+K+CF3COOH"	152.95602
"814554"	696.3411	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M"	0
"982618"	677.32271	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-H2O-H"	-19.01839
"68673"	463.220124	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M-3H"	-3.021828
"506049"	695.333824	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M-3H"	-3.021828
"882756"	231.106424	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-3H"	-3.021828
"12268"	695.333824	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M-2H"	-2.014552
"450737"	1043.504374	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M-2H"	-2.014552
"831818"	347.163274	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-2H"	-2.014552
"90715"	1391.674924	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M-H"	-1.007276
"528090"	2088.016024	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M-H"	-1.007276
"903706"	695.333824	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-H"	-1.007276
"54800"	1408.701471	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M-2H+NH4"	16.019271
"496546"	2105.042571	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M-2H+NH4"	16.019271
"872162"	712.360371	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-2H+NH4"	16.019271
"37874"	1413.656866	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M-2H+Na"	20.974666
"478528"	2109.997966	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M-2H+Na"	20.974666
"856330"	717.315766	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-2H+Na"	20.974666
"1624041"	717.315766	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Na-2H"	20.974666
"104579"	713.322163	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M-H+Cl"	33.962126
"543045"	1061.492713	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M-H+Cl"	33.962126
"933642"	365.151613	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-H+Cl"	33.962126
"275116"	1427.651602	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+Cl"	34.969402
"661713"	2123.992702	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+Cl"	34.969402
"1274482"	731.310502	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Cl"	34.969402
"18132"	1429.630806	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M-2H+K"	36.948606
"465350"	2125.971906	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M-2H+K"	36.948606
"843151"	733.289706	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-2H+K"	36.948606
"1563359"	733.289706	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+K-2H"	36.948606
"953430"	741.339294	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-H+HCOOH"	44.998194
"370551"	1437.680401	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+HCOOH-H"	44.998201
"351155"	1451.696051	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+Hac-H"	59.013851
"1492981"	755.354951	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Hac-H"	59.013851
"958782"	763.321251	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-H+NaCOOH"	66.980151
"120813"	731.310502	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+2Cl"	69.938804
"557092"	1079.481052	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+2Cl"	69.938804
"1032456"	383.139952	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2Cl"	69.938804
"1254220"	775.259985	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Br"	78.918885
"1306098"	777.315972	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Cl+HCOOH"	80.974872
"1328701"	799.297929	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Cl+NaCOOH"	102.956829
"923041"	809.326686	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M-H+CF3COOH"	112.985586
"1296471"	845.303364	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Cl+CF3COOH"	148.962264
"1375725"	661.328424	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H-2H2O"	-35.012676
"1385568"	679.3384	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H-H2O"	-17.0027
"289625"	1393.689476	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+H"	1.007276
"679861"	2090.030576	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+H"	1.007276
"1359491"	697.348376	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H"	1.007276
"128007"	697.348376	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+2H"	2.014552
"575219"	1045.518926	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+2H"	2.014552
"1044016"	349.177826	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2H"	2.014552
"207547"	465.234676	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+3H"	3.021828
"644921"	697.348376	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+3H"	3.021828
"1163770"	233.120976	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+3H"	3.021828
"425223"	1410.716023	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+NH4"	18.033823
"786340"	2107.057123	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+NH4"	18.033823
"1689115"	714.374923	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+NH4"	18.033823
"333021"	705.8616495	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+H+NH4"	19.041099
"726536"	1054.0321995	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+H+NH4"	19.041099
"1481449"	357.6910995	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H+NH4"	19.041099
"395755"	1415.671418	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+Na"	22.989218
"755412"	2112.012518	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+Na"	22.989218
"1603269"	719.330318	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Na"	22.989218
"315249"	708.339347	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+H+Na"	23.996494
"709494"	1056.509897	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+H+Na"	23.996494
"1464406"	360.168797	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H+Na"	23.996494
"1054373"	240.44829	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2H+Na"	25.00377
"1257873"	729.374586	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+CH3OH+H"	33.033486
"379001"	1431.645358	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+K"	38.963158
"744370"	2127.986458	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+K"	38.963158
"1541077"	735.304258	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+K"	38.963158
"299467"	716.326317	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+H+K"	39.970434
"691517"	1064.496867	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+H+K"	39.970434
"1446680"	368.155767	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H+K"	39.970434
"237349"	1434.716026	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+ACN+H"	42.033826
"1213342"	738.374926	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+ACN+H"	42.033826
"1199415"	369.691101	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+ACN+2H"	43.041102
"202495"	1437.65336	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+2Na-H"	44.97116
"632938"	2133.99446	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+2Na-H"	44.97116
"1140822"	741.31226	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2Na-H"	44.97116
"185935"	719.330318	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+2Na"	45.978436
"624765"	1067.500868	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+2Na"	45.978436
"1120614"	371.159768	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2Na"	45.978436
"1406329"	247.775604	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H+2Na"	46.985712
"1440633"	743.353846	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H+HCOOH"	47.012746
"231422"	724.36334	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+3H2O+2H"	56.04448
"1516203"	757.40589	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+IsoProp+H"	61.06479
"414796"	727.317288	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+Na+K"	61.952376
"775792"	1075.487838	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+Na+K"	61.952376
"1668110"	379.146738	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Na+K"	61.952376
"255366"	1456.697968	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+ACN+Na"	64.015768
"1230263"	760.356868	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+ACN+Na"	64.015768
"1715141"	760.380393	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+NH4+HCOOH"	64.039293
"1182317"	255.102918	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+3Na"	68.967654
"1654400"	765.335788	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Na+HCOOH"	68.994688
"161626"	1469.60124	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+2K-H"	76.91904
"599363"	2165.94234	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+2K-H"	76.91904
"1088615"	773.26014	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2K-H"	76.91904
"148712"	735.304258	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"2M+2K"	77.926316
"584994"	1083.474808	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"3M+2K"	77.926316
"1075704"	387.133708	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2K"	77.926316
"1107090"	775.274692	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2K+H"	78.933592
"1348950"	775.362307	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+DMSO+H"	79.021207
"1017114"	779.401476	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2ACN+H"	83.060376
"1533416"	780.395108	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+IsoProp+Na+H"	84.054008
"995491"	390.204376	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+2ACN+2H"	84.067652
"1596553"	781.309728	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+K+HCOOH"	84.968628
"1418935"	811.341238	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+H+CF3COOH"	115.000138
"1149587"	410.717651	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+3ACN+2H"	125.094202
"1705334"	828.367785	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+NH4+CF3COOH"	132.026685
"1634708"	833.32318	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+Na+CF3COOH"	136.98208
"1573358"	849.29712	"C09655"	"Thalicarpine"	"C41H48N2O8"	"696.3411"	"M+K+CF3COOH"	152.95602
"814664"	652.3149	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M"	0
"978355"	633.29651	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-H2O-H"	-19.01839
"70970"	433.869324	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M-3H"	-3.021828
"505066"	651.307624	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M-3H"	-3.021828
"883960"	216.431024	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-3H"	-3.021828
"4723"	651.307624	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M-2H"	-2.014552
"450847"	977.465074	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M-2H"	-2.014552
"825369"	325.150174	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-2H"	-2.014552
"89735"	1303.622524	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M-H"	-1.007276
"526014"	1955.937424	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M-H"	-1.007276
"903816"	651.307624	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-H"	-1.007276
"51629"	1320.649071	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M-2H+NH4"	16.019271
"494471"	1972.963971	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M-2H+NH4"	16.019271
"870085"	668.334171	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-2H+NH4"	16.019271
"39078"	1325.604466	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M-2H+Na"	20.974666
"478639"	1977.919366	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M-2H+Na"	20.974666
"855346"	673.289566	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-2H+Na"	20.974666
"1625975"	673.289566	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Na-2H"	20.974666
"104688"	669.295963	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M-H+Cl"	33.962126
"542062"	995.453413	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M-H+Cl"	33.962126
"932297"	343.138513	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-H+Cl"	33.962126
"276326"	1339.599202	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+Cl"	34.969402
"663645"	1991.914102	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+Cl"	34.969402
"1275689"	687.284302	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Cl"	34.969402
"18608"	1341.578406	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M-2H+K"	36.948606
"467648"	1993.893306	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M-2H+K"	36.948606
"842168"	689.263506	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-2H+K"	36.948606
"1562377"	689.263506	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+K-2H"	36.948606
"953542"	697.313094	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-H+HCOOH"	44.998194
"369570"	1349.628001	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+HCOOH-H"	44.998201
"349076"	1363.643651	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+Hac-H"	59.013851
"1493902"	711.328751	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Hac-H"	59.013851
"959135"	719.295051	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-H+NaCOOH"	66.980151
"117643"	687.284302	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+2Cl"	69.938804
"557203"	1013.441752	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+2Cl"	69.938804
"1033659"	361.126852	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2Cl"	69.938804
"1249958"	731.233785	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Br"	78.918885
"1306573"	733.289772	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Cl+HCOOH"	80.974872
"1329904"	755.271729	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Cl+NaCOOH"	102.956829
"922058"	765.300486	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M-H+CF3COOH"	112.985586
"1292207"	801.277164	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Cl+CF3COOH"	148.962264
"1372554"	617.302224	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H-2H2O"	-35.012676
"1383853"	635.3122	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H-H2O"	-17.0027
"286455"	1305.637076	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+H"	1.007276
"679971"	1957.951976	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+H"	1.007276
"1356321"	653.322176	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H"	1.007276
"133584"	653.322176	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+2H"	2.014552
"570957"	979.479626	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+2H"	2.014552
"1041942"	327.164726	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2H"	2.014552
"206194"	435.883876	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+3H"	3.021828
"645028"	653.322176	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+3H"	3.021828
"1163635"	218.445576	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+3H"	3.021828
"426429"	1322.663623	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+NH4"	18.033823
"786452"	1974.978523	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+NH4"	18.033823
"1685214"	670.348723	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+NH4"	18.033823
"332400"	661.8354495	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+H+NH4"	19.041099
"728103"	987.9928995	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+H+NH4"	19.041099
"1480830"	335.6779995	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H+NH4"	19.041099
"395135"	1327.619018	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+Na"	22.989218
"756855"	1979.933918	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+Na"	22.989218
"1604348"	675.304118	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Na"	22.989218
"315358"	664.313147	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+H+Na"	23.996494
"710697"	990.470597	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+H+Na"	23.996494
"1463424"	338.155697	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H+Na"	23.996494
"1054117"	225.77289	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2H+Na"	25.00377
"1258711"	685.348386	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+CH3OH+H"	33.033486
"379111"	1343.592958	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+K"	38.963158
"742294"	1995.907858	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+K"	38.963158
"1542524"	691.278058	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+K"	38.963158
"300795"	672.300117	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+H+K"	39.970434
"691875"	998.457567	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+H+K"	39.970434
"1446060"	346.142667	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H+K"	39.970434
"239285"	1346.663626	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+ACN+H"	42.033826
"1214549"	694.348726	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+ACN+H"	42.033826
"1198796"	347.678001	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+ACN+2H"	43.041102
"201145"	1349.60096	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+2Na-H"	44.97116
"634507"	2001.91586	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+2Na-H"	44.97116
"1140932"	697.28606	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2Na-H"	44.97116
"183858"	675.304118	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+2Na"	45.978436
"622689"	1001.461568	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+2Na"	45.978436
"1121821"	349.146668	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2Na"	45.978436
"1400968"	233.100204	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H+2Na"	46.985712
"1437463"	699.327646	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H+HCOOH"	47.012746
"228252"	680.33714	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+3H2O+2H"	56.04448
"1520689"	713.37969	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+IsoProp+H"	61.06479
"414177"	683.291088	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+Na+K"	61.952376
"775173"	1009.448538	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+Na+K"	61.952376
"1669316"	357.133638	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Na+K"	61.952376
"256568"	1368.645568	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+ACN+Na"	64.015768
"1230737"	716.330668	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+ACN+Na"	64.015768
"1714518"	716.354193	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+NH4+HCOOH"	64.039293
"1179508"	240.427518	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+3Na"	68.967654
"1652682"	721.309588	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Na+HCOOH"	68.994688
"160642"	1381.54884	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+2K-H"	76.91904
"601658"	2033.86374	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+2K-H"	76.91904
"1085808"	729.23394	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2K-H"	76.91904
"148819"	691.278058	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"2M+2K"	77.926316
"586191"	1017.435508	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"3M+2K"	77.926316
"1073984"	365.120608	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2K"	77.926316
"1105011"	731.248492	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2K+H"	78.933592
"1345775"	731.336107	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+DMSO+H"	79.021207
"1009931"	735.375276	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2ACN+H"	83.060376
"1534619"	736.368908	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+IsoProp+Na+H"	84.054008
"998879"	368.191276	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+2ACN+2H"	84.067652
"1600309"	737.283528	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+K+HCOOH"	84.968628
"1420137"	767.315038	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+H+CF3COOH"	115.000138
"1154801"	388.704551	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+3ACN+2H"	125.094202
"1705444"	784.341585	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+NH4+CF3COOH"	132.026685
"1634492"	789.29698	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+Na+CF3COOH"	136.98208
"1572009"	805.27092	"C09656"	"Thalidasine"	"C39H44N2O7"	"652.3149"	"M+K+CF3COOH"	152.95602
"813681"	264.1725	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M"	0
"985027"	245.15411	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-H2O-H"	-19.01839
"67803"	175.107724	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M-3H"	-3.021828
"515018"	263.165224	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M-3H"	-3.021828
"888446"	87.050224	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-3H"	-3.021828
"14314"	263.165224	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M-2H"	-2.014552
"453144"	395.251474	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M-2H"	-2.014552
"822199"	131.078974	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-2H"	-2.014552
"87659"	527.337724	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M-H"	-1.007276
"527218"	791.510224	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M-H"	-1.007276
"900646"	263.165224	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-H"	-1.007276
"53926"	544.364271	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M-2H+NH4"	16.019271
"492393"	808.536771	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M-2H+NH4"	16.019271
"870196"	280.191771	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-2H+NH4"	16.019271
"37003"	549.319666	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M-2H+Na"	20.974666
"478750"	813.492166	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M-2H+Na"	20.974666
"858741"	285.147166	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-2H+Na"	20.974666
"1623900"	285.147166	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Na-2H"	20.974666
"101522"	281.153563	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M-H+Cl"	33.962126
"539989"	413.239813	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M-H+Cl"	33.962126
"935693"	149.067313	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-H+Cl"	33.962126
"279353"	563.314402	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+Cl"	34.969402
"665583"	827.486902	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+Cl"	34.969402
"1279080"	299.141902	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Cl"	34.969402
"28200"	565.293606	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M-2H+K"	36.948606
"466667"	829.466106	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M-2H+K"	36.948606
"845561"	301.121106	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-2H+K"	36.948606
"1569050"	301.121106	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+K-2H"	36.948606
"954744"	309.170694	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-H+HCOOH"	44.998194
"370772"	573.343201	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+HCOOH-H"	44.998201
"349191"	587.358851	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+Hac-H"	59.013851
"1494742"	323.186351	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Hac-H"	59.013851
"961190"	331.152651	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-H+NaCOOH"	66.980151
"113743"	299.141902	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+2Cl"	69.938804
"557313"	431.228152	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+2Cl"	69.938804
"1035590"	167.055652	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2Cl"	69.938804
"1252255"	343.091385	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Br"	78.918885
"1309236"	345.147372	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Cl+HCOOH"	80.974872
"1328923"	367.129329	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Cl+NaCOOH"	102.956829
"923262"	377.158086	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M-H+CF3COOH"	112.985586
"1292318"	413.134764	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Cl+CF3COOH"	148.962264
"1375945"	229.159824	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H-2H2O"	-35.012676
"1387976"	247.1698	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H-H2O"	-17.0027
"283447"	529.352276	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+H"	1.007276
"680081"	793.524776	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+H"	1.007276
"1358618"	265.179776	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H"	1.007276
"134789"	265.179776	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+2H"	2.014552
"575441"	397.266026	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+2H"	2.014552
"1045333"	133.093526	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2H"	2.014552
"205942"	177.122276	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+3H"	3.021828
"645142"	265.179776	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+3H"	3.021828
"1163629"	89.064776	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+3H"	3.021828
"428728"	546.378823	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+NH4"	18.033823
"793004"	810.551323	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+NH4"	18.033823
"1686419"	282.206323	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+NH4"	18.033823
"332874"	273.6930495	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+H+NH4"	19.041099
"730037"	405.7792995	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+H+NH4"	19.041099
"1486043"	141.6067995	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H+NH4"	19.041099
"398162"	551.334218	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+Na"	22.989218
"755877"	815.506718	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+Na"	22.989218
"1607256"	287.161718	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Na"	22.989218
"314495"	276.170747	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+H+Na"	23.996494
"710807"	408.256997	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+H+Na"	23.996494
"1464628"	144.084497	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H+Na"	23.996494
"1054591"	96.39209	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2H+Na"	25.00377
"1258580"	297.205986	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+CH3OH+H"	33.033486
"380315"	567.308158	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+K"	38.963158
"739242"	831.480658	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+K"	38.963158
"1542639"	303.135658	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+K"	38.963158
"300905"	284.157717	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+H+K"	39.970434
"698436"	416.243967	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+H+K"	39.970434
"1450065"	152.071467	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H+K"	39.970434
"239033"	570.378826	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+ACN+H"	42.033826
"1216846"	306.206326	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+ACN+H"	42.033826
"1207291"	153.606801	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+ACN+2H"	43.041102
"202960"	573.31616	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+2Na-H"	44.97116
"633525"	837.48866	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+2Na-H"	44.97116
"1143958"	309.14366	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2Na-H"	44.97116
"188391"	287.161718	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+2Na"	45.978436
"627662"	419.247968	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+2Na"	45.978436
"1128127"	155.075468	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2Na"	45.978436
"1400595"	103.719404	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H+2Na"	46.985712
"1437573"	311.185246	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H+HCOOH"	47.012746
"228362"	292.19474	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+3H2O+2H"	56.04448
"1520799"	325.23729	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+IsoProp+H"	61.06479
"414287"	295.148688	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+Na+K"	61.952376
"772367"	427.234938	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+Na+K"	61.952376
"1669426"	163.062438	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Na+K"	61.952376
"257776"	592.360768	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+ACN+Na"	64.015768
"1230485"	328.188268	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+ACN+Na"	64.015768
"1716452"	328.211793	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+NH4+HCOOH"	64.039293
"1182899"	111.046718	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+3Na"	68.967654
"1654618"	333.167188	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Na+HCOOH"	68.994688
"162577"	605.26404	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+2K-H"	76.91904
"603227"	869.43654	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+2K-H"	76.91904
"1085913"	341.09154	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2K-H"	76.91904
"144553"	303.135658	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"2M+2K"	77.926316
"586301"	435.221908	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"3M+2K"	77.926316
"1073001"	171.049408	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2K"	77.926316
"1101839"	343.106092	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2K+H"	78.933592
"1337128"	343.193707	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+DMSO+H"	79.021207
"1006266"	347.232876	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2ACN+H"	83.060376
"1531446"	348.226508	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+IsoProp+Na+H"	84.054008
"998989"	174.120076	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+2ACN+2H"	84.067652
"1592397"	349.141128	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+K+HCOOH"	84.968628
"1421344"	379.172638	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+H+CF3COOH"	115.000138
"1151633"	194.633351	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+3ACN+2H"	125.094202
"1704464"	396.199185	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+NH4+CF3COOH"	132.026685
"1634252"	401.15458	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+Na+CF3COOH"	136.98208
"1572486"	417.12852	"C09657"	"Dehydrojuvabione;(4R)-4-(1R)-15-Dimethyl-3-oxo-4-hexenyl-1-cyclohexene-1-carboxylic acid methyl ester"	"C16H24O3"	"264.1725"	"M+K+CF3COOH"	152.95602
"811604"	230.1307	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M"	0
"978576"	211.11231	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"67913"	152.413190666667	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"514764"	229.123424	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"889649"	75.7029573333333	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"15153"	229.123424	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"452161"	344.188774	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"831056"	114.058074	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"89956"	459.254124	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"526236"	689.384824	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"902944"	229.123424	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"57315"	476.280671	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"499065"	706.411371	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"875409"	246.149971	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"40393"	481.236066	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"481047"	711.366766	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"862135"	251.105366	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1628384"	251.105366	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"104913"	247.111763	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"542284"	362.177113	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"934709"	132.046413	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"276547"	495.230802	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"662413"	725.361502	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1282471"	265.100102	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"30013"	497.210006	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"467870"	727.340706	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"846765"	267.079306	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1569890"	267.079306	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"955948"	275.128894	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"368697"	505.259601	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"349301"	519.275251	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1504693"	289.144551	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"968955"	297.110851	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"114582"	265.100102	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"557423"	380.165452	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1035701"	150.034752	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1256253"	309.049585	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1310439"	311.105572	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1333774"	333.087529	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"924466"	343.116286	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1294979"	379.092964	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1376056"	195.118024	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1390273"	213.128	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"289959"	461.268676	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"676183"	691.399376	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1351600"	231.137976	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"128338"	231.137976	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"573363"	346.203326	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1043256"	116.072626	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"206780"	154.427742666667	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"648536"	231.137976	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1166295"	77.7175093333333	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"429934"	478.295223	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"793115"	708.425923	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1685072"	248.164523	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"335537"	239.6512495	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"730147"	354.7165995	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1482873"	124.5858995	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"398272"	483.250618	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"761455"	713.381318	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1605181"	253.119918	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"315212"	242.128947	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"709824"	357.194297	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1464738"	127.063597	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1053610"	85.0448233333333	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1259664"	263.164186	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"378361"	499.224558	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"739234"	729.355258	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1541656"	269.093858	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"300654"	250.115917	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"696360"	365.181267	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1450177"	135.050567	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"245342"	502.295226	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1220966"	272.164526	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1207401"	136.585901	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"201365"	505.23256	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"644049"	735.36326	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1145406"	275.10186	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"187851"	253.119918	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"627651"	368.185268	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1125322"	138.054568	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1406657"	92.3721373333333	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1435857"	277.143446	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"224097"	258.15294	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1515440"	291.19549	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"413304"	261.106888	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"772477"	376.172238	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1667714"	146.041538	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"257884"	524.277168	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1229864"	294.146468	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1714740"	294.169993	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1184104"	99.6994513333333	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1652907"	299.125388	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"163417"	537.18044	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"598597"	767.31114	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1086760"	307.04974	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"142597"	269.093858	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"589693"	384.159208	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1070926"	154.028508	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1106324"	309.064292	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1335899"	309.151907	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1007957"	313.191076	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1531556"	314.184708	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"999099"	157.099176	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1593600"	315.099328	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1421454"	345.130838	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1151743"	177.612451	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1704574"	362.157385	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1648608"	367.11278	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1571541"	383.08672	"C09658"	"Dehydromyodesmone"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"809530"	608.2886	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M"	0
"985247"	589.27021	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-H2O-H"	-19.01839
"68023"	404.518457333333	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M-3H"	-3.021828
"515240"	607.281324	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M-3H"	-3.021828
"894135"	201.755590666667	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-3H"	-3.021828
"14414"	607.281324	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M-2H"	-2.014552
"442432"	911.425624	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M-2H"	-2.014552
"819505"	303.137024	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-2H"	-2.014552
"82413"	1215.569924	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M-H"	-1.007276
"527440"	1823.858524	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M-H"	-1.007276
"903056"	607.281324	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-H"	-1.007276
"55241"	1232.596471	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M-2H+NH4"	16.019271
"498083"	1840.885071	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M-2H+NH4"	16.019271
"876979"	624.307871	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-2H+NH4"	16.019271
"42691"	1237.551866	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M-2H+Na"	20.974666
"481157"	1845.840466	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M-2H+Na"	20.974666
"860056"	629.263266	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-2H+Na"	20.974666
"1631413"	629.263266	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Na-2H"	20.974666
"106119"	625.269663	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M-H+Cl"	33.962126
"539117"	929.413963	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M-H+Cl"	33.962126
"939926"	321.125363	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-H+Cl"	33.962126
"277757"	1251.546602	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+Cl"	34.969402
"662883"	1859.835202	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+Cl"	34.969402
"1273589"	643.258002	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Cl"	34.969402
"25138"	1253.525806	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M-2H+K"	36.948606
"465793"	1861.814406	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M-2H+K"	36.948606
"846512"	645.237206	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-2H+K"	36.948606
"1569271"	645.237206	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+K-2H"	36.948606
"956063"	653.286794	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-H+HCOOH"	44.998194
"372090"	1261.575401	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+HCOOH-H"	44.998201
"353786"	1275.591051	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+Hac-H"	59.013851
"1505535"	667.302451	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Hac-H"	59.013851
"960679"	675.268751	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-H+NaCOOH"	66.980151
"119065"	643.258002	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+2Cl"	69.938804
"560814"	947.402302	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+2Cl"	69.938804
"1029617"	339.113702	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2Cl"	69.938804
"1249195"	687.207485	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Br"	78.918885
"1312736"	689.263472	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Cl+HCOOH"	80.974872
"1333154"	711.245429	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Cl+NaCOOH"	102.956829
"925305"	721.274186	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M-H+CF3COOH"	112.985586
"1292537"	757.250864	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Cl+CF3COOH"	148.962264
"1380175"	573.275924	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H-2H2O"	-35.012676
"1390384"	591.2859	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H-H2O"	-17.0027
"285695"	1217.584476	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+H"	1.007276
"678118"	1825.873076	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+H"	1.007276
"1354466"	609.295876	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H"	1.007276
"131728"	609.295876	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+2H"	2.014552
"574568"	913.440176	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+2H"	2.014552
"1041177"	305.151576	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2H"	2.014552
"208351"	406.533009333333	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+3H"	3.021828
"651926"	609.295876	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+3H"	3.021828
"1167137"	203.770142666667	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+3H"	3.021828
"434418"	1234.611023	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+NH4"	18.033823
"791038"	1842.899623	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+NH4"	18.033823
"1685910"	626.322423	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+NH4"	18.033823
"337834"	617.8091495	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+H+NH4"	19.041099
"728072"	921.9534495	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+H+NH4"	19.041099
"1482985"	313.6648495	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H+NH4"	19.041099
"396197"	1239.566418	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+Na"	22.989218
"762660"	1847.855018	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+Na"	22.989218
"1606385"	631.277818	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Na"	22.989218
"314960"	620.286847	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+H+Na"	23.996494
"711030"	924.431147	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+H+Na"	23.996494
"1462907"	316.142547	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H+Na"	23.996494
"1054816"	211.097456666667	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2H+Na"	25.00377
"1260870"	641.322086	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+CH3OH+H"	33.033486
"380540"	1255.540358	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+K"	38.963158
"743723"	1863.828958	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+K"	38.963158
"1550880"	647.251758	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+K"	38.963158
"310609"	628.273817	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+H+K"	39.970434
"704128"	932.418117	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+H+K"	39.970434
"1458309"	324.129517	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H+K"	39.970434
"247278"	1258.611026	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+ACN+H"	42.033826
"1220349"	650.322426	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+ACN+H"	42.033826
"1207147"	325.664851	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+ACN+2H"	43.041102
"201477"	1261.54836	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+2Na-H"	44.97116
"639946"	1869.83696	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+2Na-H"	44.97116
"1141266"	653.25976	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2Na-H"	44.97116
"186500"	631.277818	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+2Na"	45.978436
"625939"	935.422118	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+2Na"	45.978436
"1129812"	327.133518	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2Na"	45.978436
"1408955"	218.424770666667	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H+2Na"	46.985712
"1437793"	655.301346	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H+HCOOH"	47.012746
"227489"	636.31084	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+3H2O+2H"	56.04448
"1518832"	669.35339	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+H"	61.06479
"415239"	639.264788	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+Na+K"	61.952376
"781701"	943.409088	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+Na+K"	61.952376
"1668918"	335.120488	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Na+K"	61.952376
"255807"	1280.592968	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+ACN+Na"	64.015768
"1230341"	672.304368	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+ACN+Na"	64.015768
"1715944"	672.327893	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+NH4+HCOOH"	64.039293
"1180936"	225.752084666667	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+3Na"	68.967654
"1652653"	677.283288	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Na+HCOOH"	68.994688
"162797"	1293.49624	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+2K-H"	76.91904
"603451"	1901.78484	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+2K-H"	76.91904
"1090150"	685.20764	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2K-H"	76.91904
"143072"	647.251758	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"2M+2K"	77.926316
"592355"	951.396058	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"3M+2K"	77.926316
"1070306"	343.107458	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2K"	77.926316
"1106437"	687.222192	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2K+H"	78.933592
"1337349"	687.309807	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+DMSO+H"	79.021207
"1008069"	691.348976	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2ACN+H"	83.060376
"1532756"	692.342608	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+IsoProp+Na+H"	84.054008
"994832"	346.178126	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+2ACN+2H"	84.067652
"1594804"	693.257228	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+K+HCOOH"	84.968628
"1421557"	723.288738	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+H+CF3COOH"	115.000138
"1149660"	366.691401	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+3ACN+2H"	125.094202
"1701398"	740.315285	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+NH4+CF3COOH"	132.026685
"1635592"	745.27068	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+Na+CF3COOH"	136.98208
"1573798"	761.24462	"C09659"	"Thalmine"	"C37H40N2O6"	"608.2886"	"M+K+CF3COOH"	152.95602
"815470"	248.1412	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M"	0
"979888"	229.12281	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"68133"	164.420190666667	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"515350"	247.133924	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"892056"	81.7064573333333	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"15592"	247.133924	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"441449"	371.204524	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"823624"	123.063324	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"84709"	495.275124	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"526457"	743.416324	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"903166"	247.133924	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"54258"	512.301671	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"498194"	760.442871	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"879159"	264.160471	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"46208"	517.257066	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"482360"	765.398266	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"859073"	269.115866	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1631523"	269.115866	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"106229"	265.122263	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"544695"	389.192863	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"938213"	141.051663	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"277865"	531.251802	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"662991"	779.393002	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1273333"	283.110602	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"16374"	533.231006	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"465903"	781.372206	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"842611"	285.089806	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1560631"	285.089806	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"951794"	293.139394	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"373292"	541.280601	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"356082"	555.296251	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1505645"	307.155051	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"960425"	315.121351	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"119175"	283.110602	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"557643"	407.181202	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1033007"	159.040002	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1250399"	327.060085	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1311753"	329.116072	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1332171"	351.098029	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"924322"	361.126786	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1291555"	397.103464	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1380286"	213.128524	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1389401"	231.1385	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"285806"	497.289676	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"679322"	745.430876	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1357858"	249.148476	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"128559"	249.148476	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"575772"	373.219076	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1041290"	125.077876	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"208827"	166.434742666667	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"655317"	249.148476	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1167976"	83.7210093333333	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"432342"	514.316223	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"790419"	762.457423	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1686385"	266.175023	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"334664"	257.6617495	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"729275"	381.7323495	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1483094"	133.5911495	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"397402"	519.271618	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"758397"	767.412818	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1603820"	271.130418	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"315434"	260.139447	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"711140"	384.210047	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1461922"	136.068847	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1053833"	91.0483233333333	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1258792"	281.174686	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"381742"	535.245558	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"744926"	783.386758	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1545888"	287.104358	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"307439"	268.126417	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"698764"	392.197017	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1455867"	144.055817	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"246659"	538.316226	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1221555"	290.175026	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1209205"	145.591151	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"202930"	541.25356	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"637871"	789.39476	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1143563"	293.11236	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"187100"	271.130418	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"623862"	395.201018	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1130288"	147.059818	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1412105"	98.3756373333333	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1441183"	295.153946	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"229786"	276.16344	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1521130"	309.20599	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"419723"	279.117388	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"780718"	403.187988	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1671216"	155.046788	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"255553"	560.298168	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1229355"	312.156968	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1715325"	312.180493	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1181046"	105.702951333333	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1651304"	317.135888	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"161814"	573.20144	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"600281"	821.34264	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1086980"	325.06024	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"145979"	287.104358	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"583353"	411.174958	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1072242"	163.033758	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1109827"	327.074792	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1339650"	327.162407	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1011461"	331.201576	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1532868"	332.195208	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"996036"	166.104426	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1592726"	333.109828	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1420573"	363.141338	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1151955"	186.617701	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1701506"	380.167885	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1635094"	385.12328	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1572815"	401.09722	"C09660"	"Dehydrongaione"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"816553"	636.2836	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M"	0
"983279"	617.26521	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-H2O-H"	-19.01839
"71523"	423.181790666667	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M-3H"	-3.021828
"517648"	635.276324	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M-3H"	-3.021828
"895454"	211.087257333333	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-3H"	-3.021828
"11839"	635.276324	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M-2H"	-2.014552
"448120"	953.418124	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M-2H"	-2.014552
"828107"	317.134524	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-2H"	-2.014552
"83726"	1271.559924	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M-H"	-1.007276
"528755"	1907.843524	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M-H"	-1.007276
"907650"	635.276324	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-H"	-1.007276
"58743"	1288.586471	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M-2H+NH4"	16.019271
"500494"	1924.870071	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M-2H+NH4"	16.019271
"873919"	652.302871	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-2H+NH4"	16.019271
"44004"	1293.541866	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M-2H+Na"	20.974666
"483567"	1929.825466	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M-2H+Na"	20.974666
"863192"	657.258266	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-2H+Na"	20.974666
"1632363"	657.258266	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Na-2H"	20.974666
"109256"	653.264663	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M-H+Cl"	33.962126
"545898"	971.406463	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M-H+Cl"	33.962126
"932860"	335.122863	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-H+Cl"	33.962126
"276883"	1307.536602	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+Cl"	34.969402
"663829"	1943.820202	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+Cl"	34.969402
"1276242"	671.253002	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Cl"	34.969402
"17096"	1309.515806	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M-2H+K"	36.948606
"457265"	1945.799406	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M-2H+K"	36.948606
"837254"	673.232206	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-2H+K"	36.948606
"1566211"	673.232206	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+K-2H"	36.948606
"949721"	681.281794	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-H+HCOOH"	44.998194
"371216"	1317.565401	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+HCOOH-H"	44.998201
"358381"	1331.581051	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+Hac-H"	59.013851
"1506117"	695.297451	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Hac-H"	59.013851
"972202"	703.263751	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-H+NaCOOH"	66.980151
"117101"	671.253002	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+2Cl"	69.938804
"561035"	989.394802	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+2Cl"	69.938804
"1023637"	353.111202	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2Cl"	69.938804
"1251604"	715.202485	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Br"	78.918885
"1317333"	717.258472	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Cl+HCOOH"	80.974872
"1328266"	739.240429	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Cl+NaCOOH"	102.956829
"922609"	749.269186	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M-H+CF3COOH"	112.985586
"1296038"	785.245864	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Cl+CF3COOH"	148.962264
"1376386"	601.270924	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H-2H2O"	-35.012676
"1390604"	619.2809	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H-H2O"	-17.0027
"286280"	1273.574476	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+H"	1.007276
"681620"	1909.858076	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+H"	1.007276
"1352862"	637.290876	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H"	1.007276
"127939"	637.290876	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+2H"	2.014552
"571508"	955.432676	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+2H"	2.014552
"1039212"	319.149076	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2H"	2.014552
"205291"	425.196342666667	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+3H"	3.021828
"652147"	637.290876	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+3H"	3.021828
"1170273"	213.101809333333	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+3H"	3.021828
"430265"	1290.601023	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+NH4"	18.033823
"790530"	1926.884623	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+NH4"	18.033823
"1686496"	654.317423	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+NH4"	18.033823
"334774"	645.8041495	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+H+NH4"	19.041099
"728291"	963.9459495	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+H+NH4"	19.041099
"1483204"	327.6623495	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H+NH4"	19.041099
"396418"	1295.556418	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+Na"	22.989218
"757778"	1931.840018	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+Na"	22.989218
"1604171"	659.272818	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Na"	22.989218
"315060"	648.281847	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+H+Na"	23.996494
"711251"	966.423647	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+H+Na"	23.996494
"1462153"	330.140047	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H+Na"	23.996494
"1057223"	220.429123333333	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2H+Na"	25.00377
"1262183"	669.317086	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+CH3OH+H"	33.033486
"380759"	1311.530358	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+K"	38.963158
"747225"	1947.813958	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+K"	38.963158
"1551465"	675.246758	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+K"	38.963158
"308644"	656.268817	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+H+K"	39.970434
"699971"	974.410617	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+H+K"	39.970434
"1452696"	338.127017	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H+K"	39.970434
"248955"	1314.601026	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+ACN+H"	42.033826
"1222757"	678.317426	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+ACN+H"	42.033826
"1205549"	339.662351	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+ACN+2H"	43.041102
"203281"	1317.53836	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+2Na-H"	44.97116
"642356"	1953.82196	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+2Na-H"	44.97116
"1143673"	681.25476	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2Na-H"	44.97116
"187208"	659.272818	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+2Na"	45.978436
"623243"	977.414618	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+2Na"	45.978436
"1131128"	341.131018	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2Na"	45.978436
"1413311"	227.756437333333	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H+2Na"	46.985712
"1438013"	683.296346	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H+HCOOH"	47.012746
"234636"	664.30584	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+3H2O+2H"	56.04448
"1517959"	697.34839	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+IsoProp+H"	61.06479
"419834"	667.259788	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+Na+K"	61.952376
"780828"	985.401588	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+Na+K"	61.952376
"1673149"	349.117988	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Na+K"	61.952376
"253479"	1336.582968	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+ACN+Na"	64.015768
"1228008"	700.299368	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+ACN+Na"	64.015768
"1716894"	700.322893	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+NH4+HCOOH"	64.039293
"1186264"	235.083751333333	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+3Na"	68.967654
"1653235"	705.278288	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Na+HCOOH"	68.994688
"163018"	1349.48624	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+2K-H"	76.91904
"600392"	1985.76984	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+2K-H"	76.91904
"1088185"	713.20264	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2K-H"	76.91904
"144995"	675.246758	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"2M+2K"	77.926316
"582613"	993.388558	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"3M+2K"	77.926316
"1074540"	357.104958	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2K"	77.926316
"1109936"	715.217192	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2K+H"	78.933592
"1336230"	715.304807	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+DMSO+H"	79.021207
"1008291"	719.343976	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2ACN+H"	83.060376
"1530793"	720.337608	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+IsoProp+Na+H"	84.054008
"992866"	360.175626	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+2ACN+2H"	84.067652
"1592836"	721.252228	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+K+HCOOH"	84.968628
"1416676"	751.283738	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+H+CF3COOH"	115.000138
"1150976"	380.688901	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+3ACN+2H"	125.094202
"1702714"	768.310285	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+NH4+CF3COOH"	132.026685
"1635448"	773.26568	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+Na+CF3COOH"	136.98208
"1575112"	789.23962	"C09661"	"Thalsimine"	"C38H40N2O7"	"636.2836"	"M+K+CF3COOH"	152.95602
"816758"	366.1679	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M"	0
"982295"	347.14951	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-H2O-H"	-19.01839
"68353"	243.104657333333	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M-3H"	-3.021828
"518288"	365.160624	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M-3H"	-3.021828
"895485"	121.048690666667	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-3H"	-3.021828
"14137"	365.160624	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M-2H"	-2.014552
"447137"	548.244574	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M-2H"	-2.014552
"824939"	182.076674	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-2H"	-2.014552
"88211"	731.328524	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M-H"	-1.007276
"524493"	1097.496424	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M-H"	-1.007276
"905574"	365.160624	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-H"	-1.007276
"59947"	748.355071	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M-2H+NH4"	16.019271
"499510"	1114.522971	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M-2H+NH4"	16.019271
"877309"	382.187171	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-2H+NH4"	16.019271
"39741"	753.310466	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M-2H+Na"	20.974666
"482584"	1119.478366	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M-2H+Na"	20.974666
"863998"	387.142566	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-2H+Na"	20.974666
"1632108"	387.142566	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Na-2H"	20.974666
"107543"	383.148963	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M-H+Cl"	33.962126
"547101"	566.232913	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M-H+Cl"	33.962126
"934063"	200.065013	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-H+Cl"	33.962126
"278086"	767.305202	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+Cl"	34.969402
"662118"	1133.473102	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+Cl"	34.969402
"1273426"	401.137302	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Cl"	34.969402
"18177"	769.284406	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M-2H+K"	36.948606
"460655"	1135.452306	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M-2H+K"	36.948606
"838457"	403.116506	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-2H+K"	36.948606
"1564135"	403.116506	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+K-2H"	36.948606
"949832"	411.166094	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-H+HCOOH"	44.998194
"372419"	777.334001	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+HCOOH-H"	44.998201
"359342"	791.349651	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+Hac-H"	59.013851
"1499300"	425.181751	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Hac-H"	59.013851
"968300"	433.148051	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-H+NaCOOH"	66.980151
"112469"	401.137302	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+2Cl"	69.938804
"562240"	584.221252	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+2Cl"	69.938804
"1025570"	218.053352	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2Cl"	69.938804
"1249527"	445.086785	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Br"	78.918885
"1315252"	447.142772	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Cl+HCOOH"	80.974872
"1329469"	469.124729	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Cl+NaCOOH"	102.956829
"922717"	479.153486	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M-H+CF3COOH"	112.985586
"1293961"	515.130164	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Cl+CF3COOH"	148.962264
"1374309"	331.155224	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H-2H2O"	-35.012676
"1393996"	349.1652	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H-H2O"	-17.0027
"287123"	733.343076	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+H"	1.007276
"685742"	1099.510976	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+H"	1.007276
"1353704"	367.175176	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H"	1.007276
"127320"	367.175176	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+2H"	2.014552
"570525"	550.259126	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+2H"	2.014552
"1039325"	184.091226	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2H"	2.014552
"206132"	245.119209333333	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+3H"	3.021828
"652257"	367.175176	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+3H"	3.021828
"1170383"	123.063242666667	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+3H"	3.021828
"428552"	750.369623	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+NH4"	18.033823
"790640"	1116.537523	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+NH4"	18.033823
"1685514"	384.201723	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+NH4"	18.033823
"337074"	375.6884495	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+H+NH4"	19.041099
"728402"	558.7723995	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+H+NH4"	19.041099
"1482221"	192.6044995	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H+NH4"	19.041099
"400901"	755.325018	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+Na"	22.989218
"759710"	1121.492918	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+Na"	22.989218
"1603796"	389.157118	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Na"	22.989218
"317846"	378.166147	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+H+Na"	23.996494
"714643"	561.250097	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+H+Na"	23.996494
"1469557"	195.082197	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H+Na"	23.996494
"1059520"	130.390556666667	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2H+Na"	25.00377
"1263386"	399.201386	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+CH3OH+H"	33.033486
"386337"	771.298958	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+K"	38.963158
"747335"	1137.466858	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+K"	38.963158
"1554491"	405.131058	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+K"	38.963158
"312763"	386.153117	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+H+K"	39.970434
"702268"	569.237067	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+H+K"	39.970434
"1457180"	203.069167	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H+K"	39.970434
"248335"	774.369626	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+ACN+H"	42.033826
"1221773"	408.201726	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+ACN+H"	42.033826
"1209549"	204.604501	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+ACN+2H"	43.041102
"204106"	777.30696	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+2Na-H"	44.97116
"643316"	1143.47486	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+2Na-H"	44.97116
"1146997"	411.13906	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2Na-H"	44.97116
"188177"	389.157118	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+2Na"	45.978436
"628425"	572.241068	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+2Na"	45.978436
"1131204"	206.073168	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2Na"	45.978436
"1413991"	137.717870666667	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H+2Na"	46.985712
"1438123"	413.180646	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H+HCOOH"	47.012746
"235232"	394.19014	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+3H2O+2H"	56.04448
"1519162"	427.23269	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+IsoProp+H"	61.06479
"419944"	397.144088	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+Na+K"	61.952376
"780938"	580.228038	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+Na+K"	61.952376
"1672529"	214.060138	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Na+K"	61.952376
"253954"	796.351568	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+ACN+Na"	64.015768
"1228851"	430.183668	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+ACN+Na"	64.015768
"1717736"	430.207193	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+NH4+HCOOH"	64.039293
"1187467"	145.045184666667	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+3Na"	68.967654
"1652986"	435.162588	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Na+HCOOH"	68.994688
"166409"	809.25484	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+2K-H"	76.91904
"604876"	1175.42274	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+2K-H"	76.91904
"1088295"	443.08694	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2K-H"	76.91904
"143283"	405.131058	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"2M+2K"	77.926316
"581664"	588.215008	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"3M+2K"	77.926316
"1072464"	222.047108	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2K"	77.926316
"1104580"	445.101492	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2K+H"	78.933592
"1336465"	445.189107	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+DMSO+H"	79.021207
"1006935"	449.228276	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2ACN+H"	83.060376
"1526041"	450.221908	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+IsoProp+Na+H"	84.054008
"992005"	225.117776	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+2ACN+2H"	84.067652
"1592946"	451.136528	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+K+HCOOH"	84.968628
"1417515"	481.168038	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+H+CF3COOH"	115.000138
"1151086"	245.631051	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+3ACN+2H"	125.094202
"1703917"	498.194585	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+NH4+CF3COOH"	132.026685
"1636287"	503.14998	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+Na+CF3COOH"	136.98208
"1575222"	519.12392	"C09662"	"Diacetoxyscirpenol"	"C19H26O7"	"366.1679"	"M+K+CF3COOH"	152.95602
"813976"	222.1984	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M"	0
"982405"	203.18001	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"75024"	147.124990666667	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"515677"	221.191124	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"894944"	73.0588573333333	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"12789"	221.191124	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"446153"	332.290324	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"826143"	110.091924	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"86134"	443.389524	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"525696"	665.587924	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"908963"	221.191124	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"60058"	460.416071	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"499619"	682.614471	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"878878"	238.217671	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"43131"	465.371466	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"482694"	687.569866	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"861589"	243.173066	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1633313"	243.173066	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"107657"	239.179463	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"545027"	350.278663	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"932350"	128.080263	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"278195"	479.366202	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"661018"	701.564602	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1274147"	257.167802	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"17918"	481.345406	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"457485"	703.543806	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"835287"	259.147006	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1565339"	259.147006	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"951764"	267.196594	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"372529"	489.395001	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"356050"	503.410651	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1504150"	281.212251	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"968410"	289.178551	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"114038"	257.167802	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"561256"	368.267002	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1030056"	146.068602	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1245262"	301.117285	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1310991"	303.173272	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1331767"	325.155229	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"919547"	335.183986	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1294071"	371.160664	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1380251"	187.185724	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1394105"	205.1957	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"289418"	445.404076	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"685852"	667.602476	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1358187"	223.205676	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"132169"	223.205676	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"569541"	334.304876	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1038463"	112.106476	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"208431"	149.139542666667	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"652367"	223.205676	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1171586"	75.0734093333333	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"431578"	462.430623	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790750"	684.629023	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1687812"	240.232223	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"336091"	231.7189495	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"731791"	342.8181495	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1483427"	120.6197495	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"398824"	467.386018	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"757635"	689.584418	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1609015"	245.187618	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"319051"	234.196647	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"713661"	345.295847	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1467481"	123.097447	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1061818"	82.4007233333333	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1265683"	255.231886	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"383165"	483.359958	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"749631"	705.558358	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1551684"	261.161558	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"305582"	242.183617	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"698004"	353.282817	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1456197"	131.084417	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"244799"	486.430626	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1219696"	264.232226	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1209501"	132.619751	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"201920"	489.36796	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"643792"	711.56636	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1146205"	267.16956	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"187913"	245.187618	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"628164"	356.286818	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1131211"	134.088418	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1412677"	89.7280373333333	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1442610"	269.211146	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"232304"	250.22064	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1518180"	283.26319	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"418961"	253.174588	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"778862"	364.273788	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1670819"	142.075388	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"252972"	508.412568	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1228961"	286.214168	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1717846"	286.237693	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1186484"	97.0553513333333	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1656377"	291.193088	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"166519"	521.31584	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"603893"	743.51424	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1088405"	299.11744	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"144123"	261.161558	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"588061"	372.260758	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1068839"	150.062358	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1102503"	301.131992	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1336574"	301.219607	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1006928"	305.258776	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1525542"	306.252408	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"992721"	153.133026	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1590870"	307.167028	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1416529"	337.198538	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1150099"	173.646301	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1706217"	354.225085	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1647335"	359.18048	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1571560"	375.15442	"C09663"	"alpha-Eudesmol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"808982"	222.1984	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M"	0
"982515"	203.18001	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"74041"	147.124990666667	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"514694"	221.191124	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"894205"	73.0588573333333	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"12169"	221.191124	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"444076"	332.290324	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"827346"	110.091924	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"82964"	443.389524	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"526900"	665.587924	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"907979"	221.191124	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"59074"	460.416071	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"500823"	682.614471	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"876437"	238.217671	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"39962"	465.371466	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"481711"	687.569866	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"857327"	243.173066	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1633059"	243.173066	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"109938"	239.179463	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"547326"	350.278663	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"935376"	128.080263	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"278306"	479.366202	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"663075"	701.564602	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1273165"	257.167802	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"16122"	481.345406	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"457595"	703.543806	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"832936"	259.147006	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1565449"	259.147006	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"954425"	267.196594	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"372639"	489.395001	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"357253"	503.410651	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1504260"	281.212251	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"968520"	289.178551	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"110868"	257.167802	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"561002"	368.267002	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1026886"	146.068602	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1249746"	301.117285	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1311101"	303.173272	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1330784"	325.155229	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"919657"	335.183986	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1299284"	371.160664	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1379997"	187.185724	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1392028"	205.1957	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"290624"	445.404076	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"686326"	667.602476	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1358300"	223.205676	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"132280"	223.205676	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"569651"	334.304876	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1039547"	112.106476	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"209635"	149.139542666667	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"652477"	223.205676	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1169510"	75.0734093333333	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"428408"	462.430623	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"793776"	684.629023	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1686829"	240.232223	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"335107"	231.7189495	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"729714"	342.8181495	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1483537"	120.6197495	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"398935"	467.386018	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"761025"	689.584418	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1606936"	245.187618	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"318067"	234.196647	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"711583"	345.295847	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1467589"	123.097447	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1060833"	82.4007233333333	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1262512"	255.231886	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"384369"	483.359958	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"746462"	705.558358	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1549972"	261.161558	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"304599"	242.183617	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"698114"	353.282817	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1454121"	131.084417	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"247096"	486.430626	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1218713"	264.232226	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1208313"	132.619751	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"203006"	489.36796	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"641228"	711.56636	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1145101"	267.16956	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"187541"	245.187618	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"626859"	356.286818	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1126718"	134.088418	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1410967"	89.7280373333333	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1439440"	269.211146	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"230958"	250.22064	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1518290"	283.26319	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"415790"	253.174588	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"778972"	364.273788	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1670929"	142.075388	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"253082"	508.412568	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1230164"	286.214168	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1719049"	286.237693	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1189144"	97.0553513333333	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1654300"	291.193088	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"161162"	521.31584	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"605096"	743.51424	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1090702"	299.11744	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"142652"	261.161558	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"583796"	372.260758	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1069034"	150.062358	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1101153"	301.131992	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1336441"	301.219607	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1005940"	305.258776	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1526016"	306.252408	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"992102"	153.133026	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1590250"	307.167028	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1414326"	337.198538	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1149845"	173.646301	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1706327"	354.225085	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1647445"	359.18048	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1571331"	375.15442	"C09664"	"beta-Eudesmol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"815291"	204.1878	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M"	0
"986277"	185.16941	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"77801"	135.117924	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517361"	203.180524	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"894072"	67.055324	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"11186"	203.180524	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"448560"	305.274424	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"826360"	101.086624	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"85259"	407.368324	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"523726"	611.556124	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"902622"	203.180524	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"52622"	424.394871	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"494369"	628.582671	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874358"	220.207071	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"36795"	429.350266	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479635"	633.538066	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858531"	225.162466	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1632442"	225.162466	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"108728"	221.168863	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"549748"	323.262763	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"938769"	119.074963	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278419"	443.345002	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"660345"	647.532802	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1273234"	239.157202	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"15987"	445.324206	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464266"	649.512006	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"833153"	241.136406	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1567746"	241.136406	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956723"	249.185994	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"373845"	453.373801	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"354446"	467.389451	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504738"	263.201651	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"971549"	271.167951	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"113166"	239.157202	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"558196"	341.251102	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030276"	137.063302	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1243659"	283.106685	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1311211"	285.162672	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1329440"	307.144629	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"916126"	317.173386	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1295388"	353.150064	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1377924"	169.175124	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1384114"	187.1851	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"290730"	409.382876	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676462"	613.570676	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1353301"	205.195076	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H"	1.007276
"129111"	205.195076	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570858"	307.288976	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041116"	103.101176	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"210842"	137.132476	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"645660"	205.195076	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1165609"	69.069876	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431798"	426.409423	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"794983"	630.597223	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1688034"	222.221623	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"337405"	213.7083495	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"727642"	315.8022495	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1485835"	111.6144495	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"399046"	431.364818	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"760043"	635.552618	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609233"	227.177018	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320364"	216.186047	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709504"	318.279947	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1462232"	114.092147	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1058759"	76.39719	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1262626"	237.221286	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"388492"	447.338758	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"749489"	651.526558	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1547534"	243.150958	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+K"	38.963158
"303980"	224.173017	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"697130"	326.266917	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458972"	122.079117	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246114"	450.409426	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1224172"	246.221626	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209602"	123.614451	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203892"	453.34676	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"642804"	657.53456	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1145946"	249.15896	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"186316"	227.177018	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626606"	329.270918	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129015"	125.083118	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1410717"	83.724504	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1439553"	251.200546	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"229974"	232.21004	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1516944"	265.25259	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"418453"	235.163988	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"777991"	337.257888	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1674689"	133.070088	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253557"	472.391368	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230277"	268.203568	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719163"	268.227093	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1181236"	91.051818	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652222"	273.182488	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"160177"	485.29464	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603017"	689.48244	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1089715"	281.10684	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"146532"	243.150958	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"586094"	345.244858	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1072795"	141.057058	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1104911"	283.121392	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336795"	283.209007	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1008004"	287.248176	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531233"	288.241808	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"994401"	144.127726	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1589631"	289.156428	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1414559"	319.187938	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1151417"	164.641001	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1706437"	336.214485	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1634796"	341.16988	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1572634"	357.14382	"C09665"	"alpha-Farnesene;(3E6E)-alpha-Farnesene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804098"	204.1878	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M"	0
"979454"	185.16941	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"74263"	135.117924	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"512730"	203.180524	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"890535"	67.055324	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"9109"	203.180524	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"445387"	305.274424	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"820999"	101.086624	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"84272"	407.368324	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"523834"	611.556124	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"904915"	203.180524	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"56010"	424.394871	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"495570"	628.582671	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"871185"	220.207071	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"41274"	429.350266	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"478647"	633.538066	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"855358"	225.162466	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1630364"	225.162466	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"106893"	221.168863	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"547546"	323.262763	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"932318"	119.074963	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"274153"	443.345002	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"660858"	647.532802	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1273507"	239.157202	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"15806"	445.324206	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"457446"	649.512006	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"835615"	241.136406	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1566760"	241.136406	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"955373"	249.185994	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371765"	453.373801	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359658"	467.389451	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507277"	263.201651	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970565"	271.167951	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"117651"	239.157202	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"564866"	341.251102	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1031481"	137.063302	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1243768"	283.106685	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1305001"	285.162672	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1324444"	307.144629	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"915870"	317.173386	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1289785"	353.150064	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372565"	169.175124	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1384955"	187.1851	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"283427"	409.382876	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676576"	613.570676	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1355596"	205.195076	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128128"	205.195076	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573157"	307.288976	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1043049"	103.101176	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"212046"	137.132476	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"648325"	205.195076	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1171917"	69.069876	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433004"	426.409423	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"795091"	630.597223	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690330"	222.221623	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"341890"	213.7083495	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"731032"	315.8022495	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1485945"	111.6144495	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395876"	431.364818	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"756871"	635.552618	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1607154"	227.177018	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"319380"	216.186047	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"713991"	318.279947	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1471821"	114.092147	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1061059"	76.39719	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1266017"	237.221286	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"386782"	447.338758	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"753410"	651.526558	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1545090"	243.150958	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+K"	38.963158
"303360"	224.173017	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"699426"	326.266917	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1460785"	122.079117	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"247318"	450.409426	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1224770"	246.221626	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208778"	123.614451	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202870"	453.34676	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643762"	657.53456	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146417"	249.15896	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"185696"	227.177018	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627444"	329.270918	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1128030"	125.083118	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412899"	83.724504	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1440391"	251.200546	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230448"	232.21004	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1521066"	265.25259	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"419656"	235.163988	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783574"	337.257888	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1677350"	133.070088	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"255854"	472.391368	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1233668"	268.203568	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720727"	268.227093	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187905"	91.051818	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659984"	273.182488	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"163563"	485.29464	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"606404"	689.48244	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1090917"	281.10684	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"147736"	243.150958	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"583288"	345.244858	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1070719"	141.057058	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1101011"	283.121392	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336785"	283.209007	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1007506"	287.248176	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1525022"	288.241808	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"990864"	144.127726	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1588039"	289.156428	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1414424"	319.187938	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1150434"	164.641001	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1706547"	336.214485	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635636"	341.16988	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1576756"	357.14382	"C09666"	"beta-Farnesene;(E)-beta-Farnesene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"809312"	576.2624	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M"	0
"976284"	557.24401	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-H2O-H"	-19.01839
"75467"	383.167657333333	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M-3H"	-3.021828
"512840"	575.255124	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M-3H"	-3.021828
"889551"	191.080190666667	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-3H"	-3.021828
"8126"	575.255124	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M-2H"	-2.014552
"446591"	863.386324	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M-2H"	-2.014552
"817828"	287.123924	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-2H"	-2.014552
"83290"	1151.517524	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M-H"	-1.007276
"522850"	1727.779924	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M-H"	-1.007276
"901744"	575.255124	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-H"	-1.007276
"56119"	1168.544071	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M-2H+NH4"	16.019271
"491669"	1744.806471	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M-2H+NH4"	16.019271
"873481"	592.281671	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-2H+NH4"	16.019271
"39199"	1173.499466	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M-2H+Na"	20.974666
"478758"	1749.761866	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M-2H+Na"	20.974666
"856564"	597.237066	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-2H+Na"	20.974666
"1632662"	597.237066	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Na-2H"	20.974666
"109597"	593.243463	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M-H+Cl"	33.962126
"549277"	881.374663	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M-H+Cl"	33.962126
"932428"	305.112263	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-H+Cl"	33.962126
"275357"	1187.494202	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+Cl"	34.969402
"661459"	1763.756602	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+Cl"	34.969402
"1274104"	611.231802	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Cl"	34.969402
"16053"	1189.473406	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M-2H+K"	36.948606
"461206"	1765.735806	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M-2H+K"	36.948606
"847028"	613.211006	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-2H+K"	36.948606
"1562495"	613.211006	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+K-2H"	36.948606
"949286"	621.260594	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-H+HCOOH"	44.998194
"372970"	1197.523001	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+HCOOH-H"	44.998201
"352478"	1211.538651	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+Hac-H"	59.013851
"1503497"	635.276251	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Hac-H"	59.013851
"966665"	643.242551	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-H+NaCOOH"	66.980151
"121042"	611.231802	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+2Cl"	69.938804
"561696"	899.363002	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+2Cl"	69.938804
"1030498"	323.100602	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2Cl"	69.938804
"1244972"	655.181285	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Br"	78.918885
"1309244"	657.237272	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Cl+HCOOH"	80.974872
"1327836"	679.219229	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Cl+NaCOOH"	102.956829
"916709"	689.247986	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M-H+CF3COOH"	112.985586
"1290868"	725.224664	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Cl+CF3COOH"	148.962264
"1372675"	541.249724	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H-2H2O"	-35.012676
"1384339"	559.2597	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H-H2O"	-17.0027
"283538"	1153.532076	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+H"	1.007276
"680094"	1729.794476	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+H"	1.007276
"1353526"	577.269676	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H"	1.007276
"128966"	577.269676	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+2H"	2.014552
"569988"	865.400876	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+2H"	2.014552
"1045347"	289.138476	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2H"	2.014552
"207783"	385.182209333333	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+3H"	3.021828
"646249"	577.269676	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+3H"	3.021828
"1173121"	193.094742666667	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+3H"	3.021828
"426556"	1170.558623	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+NH4"	18.033823
"795202"	1746.821023	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+NH4"	18.033823
"1693719"	594.296223	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+NH4"	18.033823
"340906"	585.7829495	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+H+NH4"	19.041099
"732234"	873.9141495	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+H+NH4"	19.041099
"1481682"	297.6517495	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H+NH4"	19.041099
"399269"	1175.514018	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+Na"	22.989218
"758074"	1751.776418	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+Na"	22.989218
"1607266"	599.251618	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Na"	22.989218
"318399"	588.260647	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+H+Na"	23.996494
"716288"	876.391847	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+H+Na"	23.996494
"1470108"	300.129447	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H+Na"	23.996494
"1061171"	200.422056666667	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2H+Na"	25.00377
"1265035"	609.295886	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+CH3OH+H"	33.033486
"386892"	1191.487958	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+K"	38.963158
"753357"	1767.750358	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+K"	38.963158
"1549937"	615.225558	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+K"	38.963158
"306023"	596.247617	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+H+K"	39.970434
"704643"	884.378817	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+H+K"	39.970434
"1461104"	308.116417	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H+K"	39.970434
"250226"	1194.558626	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+ACN+H"	42.033826
"1223054"	618.296226	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+ACN+H"	42.033826
"1209006"	309.651751	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+ACN+2H"	43.041102
"203339"	1197.49596	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+2Na-H"	44.97116
"641927"	1773.75836	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+2Na-H"	44.97116
"1143607"	621.23356	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2Na-H"	44.97116
"185801"	599.251618	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+2Na"	45.978436
"624997"	887.382818	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+2Na"	45.978436
"1127776"	311.120418	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2Na"	45.978436
"1411304"	207.749370666667	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H+2Na"	46.985712
"1441230"	623.275146	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H+HCOOH"	47.012746
"233841"	604.28464	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+3H2O+2H"	56.04448
"1521904"	637.32719	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+IsoProp+H"	61.06479
"418307"	607.238588	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+Na+K"	61.952376
"781492"	895.369788	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+Na+K"	61.952376
"1675637"	319.107388	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Na+K"	61.952376
"257788"	1216.540568	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+ACN+Na"	64.015768
"1234872"	640.278168	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+ACN+Na"	64.015768
"1717194"	640.301693	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+NH4+HCOOH"	64.039293
"1185829"	215.076684666667	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+3Na"	68.967654
"1656814"	645.257088	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Na+HCOOH"	68.994688
"162583"	1229.44384	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+2K-H"	76.91904
"603238"	1805.70624	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+2K-H"	76.91904
"1089937"	653.18144	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2K-H"	76.91904
"144565"	615.225558	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"2M+2K"	77.926316
"585220"	903.356758	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"3M+2K"	77.926316
"1069729"	327.094358	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2K"	77.926316
"1102092"	655.195992	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2K+H"	78.933592
"1336774"	655.283607	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+DMSO+H"	79.021207
"1006520"	659.322776	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2ACN+H"	83.060376
"1524523"	660.316408	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+IsoProp+Na+H"	84.054008
"991705"	330.165026	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+2ACN+2H"	84.067652
"1587904"	661.231028	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+K+HCOOH"	84.968628
"1414206"	691.262538	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+H+CF3COOH"	115.000138
"1153825"	350.678301	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+3ACN+2H"	125.094202
"1706657"	708.289085	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+NH4+CF3COOH"	132.026685
"1635503"	713.24448	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+Na+CF3COOH"	136.98208
"1576866"	729.21842	"C09667"	"Tiliacorine"	"C36H36N2O5"	"576.2624"	"M+K+CF3COOH"	152.95602
"809422"	458.2305	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M"	0
"982954"	439.21211	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-H2O-H"	-19.01839
"72295"	304.479724	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M-3H"	-3.021828
"512948"	457.223224	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M-3H"	-3.021828
"892577"	151.736224	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-3H"	-3.021828
"9327"	457.223224	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M-2H"	-2.014552
"445607"	686.338474	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M-2H"	-2.014552
"823413"	228.107974	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-2H"	-2.014552
"84493"	915.453724	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M-H"	-1.007276
"525148"	1373.684224	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M-H"	-1.007276
"900760"	457.223224	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-H"	-1.007276
"57325"	932.480271	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M-2H+NH4"	16.019271
"497978"	1390.710771	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M-2H+NH4"	16.019271
"873595"	474.249771	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-2H+NH4"	16.019271
"40401"	937.435666	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M-2H+Na"	20.974666
"478874"	1395.666166	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M-2H+Na"	20.974666
"855577"	479.205166	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-2H+Na"	20.974666
"1630585"	479.205166	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Na-2H"	20.974666
"107115"	475.211563	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M-H+Cl"	33.962126
"546674"	704.326813	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M-H+Cl"	33.962126
"935818"	246.096313	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-H+Cl"	33.962126
"276561"	951.430402	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+Cl"	34.969402
"663514"	1409.660902	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+Cl"	34.969402
"1273607"	493.199902	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Cl"	34.969402
"17380"	953.409606	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M-2H+K"	36.948606
"456576"	1411.640106	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M-2H+K"	36.948606
"845680"	495.179106	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-2H+K"	36.948606
"1565888"	495.179106	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+K-2H"	36.948606
"952677"	503.228694	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-H+HCOOH"	44.998194
"369802"	961.459201	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+HCOOH-H"	44.998201
"356966"	975.474851	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+Hac-H"	59.013851
"1507743"	517.244351	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Hac-H"	59.013851
"963497"	525.210651	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-H+NaCOOH"	66.980151
"123341"	493.199902	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+2Cl"	69.938804
"563993"	722.315152	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+2Cl"	69.938804
"1032795"	264.084652	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2Cl"	69.938804
"1245448"	537.149385	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Br"	78.918885
"1311541"	539.205372	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Cl+HCOOH"	80.974872
"1329039"	561.187329	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Cl+NaCOOH"	102.956829
"916819"	571.216086	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M-H+CF3COOH"	112.985586
"1295717"	607.192764	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Cl+CF3COOH"	148.962264
"1372785"	423.217824	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H-2H2O"	-35.012676
"1385180"	441.2278	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H-H2O"	-17.0027
"283285"	917.468276	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+H"	1.007276
"676924"	1375.698776	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+H"	1.007276
"1353635"	459.237776	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H"	1.007276
"132724"	459.237776	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+2H"	2.014552
"569367"	688.353026	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+2H"	2.014552
"1048009"	230.122526	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2H"	2.014552
"210081"	306.494276	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+3H"	3.021828
"646359"	459.237776	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+3H"	3.021828
"1167765"	153.750776	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+3H"	3.021828
"426665"	934.494823	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+NH4"	18.033823
"792033"	1392.725323	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+NH4"	18.033823
"1685083"	476.264323	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+NH4"	18.033823
"333362"	467.7510495	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+H+NH4"	19.041099
"724082"	696.8662995	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+H+NH4"	19.041099
"1485072"	238.6357995	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H+NH4"	19.041099
"397191"	939.450218	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+Na"	22.989218
"760373"	1397.680718	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+Na"	22.989218
"1607378"	481.219718	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Na"	22.989218
"318509"	470.228747	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+H+Na"	23.996494
"710932"	699.343997	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+H+Na"	23.996494
"1471312"	241.113497	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H+Na"	23.996494
"1061278"	161.07809	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2H+Na"	25.00377
"1265144"	491.263986	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+CH3OH+H"	33.033486
"385906"	955.424158	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+K"	38.963158
"743624"	1413.654658	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+K"	38.963158
"1546771"	497.193658	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+K"	38.963158
"310875"	478.215717	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+H+K"	39.970434
"705121"	707.330967	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+H+K"	39.970434
"1460035"	249.100467	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H+K"	39.970434
"249368"	958.494826	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+ACN+H"	42.033826
"1223898"	500.264326	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+ACN+H"	42.033826
"1207416"	250.635801	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+ACN+2H"	43.041102
"202719"	961.43216	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+2Na-H"	44.97116
"641307"	1419.66266	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+2Na-H"	44.97116
"1144449"	503.20166	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2Na-H"	44.97116
"184455"	481.219718	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+2Na"	45.978436
"625113"	710.334968	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+2Na"	45.978436
"1127886"	252.104468	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2Na"	45.978436
"1406673"	168.405404	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H+2Na"	46.985712
"1439882"	505.243246	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H+HCOOH"	47.012746
"231034"	486.25274	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+3H2O+2H"	56.04448
"1521288"	519.29529	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+IsoProp+H"	61.06479
"418783"	489.206688	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+Na+K"	61.952376
"779780"	718.321938	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+Na+K"	61.952376
"1677205"	260.091438	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Na+K"	61.952376
"260085"	980.476768	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+ACN+Na"	64.015768
"1233889"	522.246268	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+ACN+Na"	64.015768
"1719491"	522.269793	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+NH4+HCOOH"	64.039293
"1189219"	175.732718	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+3Na"	68.967654
"1659111"	527.225188	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Na+HCOOH"	68.994688
"169619"	993.38004	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+2K-H"	76.91904
"603348"	1451.61054	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+2K-H"	76.91904
"1086039"	535.14954	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2K-H"	76.91904
"145770"	497.193658	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"2M+2K"	77.926316
"586424"	726.308908	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"3M+2K"	77.926316
"1076404"	268.078408	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2K"	77.926316
"1101961"	537.164092	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2K+H"	78.933592
"1340533"	537.251707	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+DMSO+H"	79.021207
"1009793"	541.290876	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2ACN+H"	83.060376
"1530471"	542.284508	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+IsoProp+Na+H"	84.054008
"995827"	271.149076	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+2ACN+2H"	84.067652
"1589235"	543.199128	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+K+HCOOH"	84.968628
"1414363"	573.230638	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+H+CF3COOH"	115.000138
"1149560"	291.662351	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+3ACN+2H"	125.094202
"1697282"	590.257185	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+NH4+CF3COOH"	132.026685
"1634519"	595.21258	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+Na+CF3COOH"	136.98208
"1576976"	611.18652	"C09668"	"Fumagillin"	"C26H34O7"	"458.2305"	"M+K+CF3COOH"	152.95602
"806251"	562.2468	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M"	0
"983064"	543.22841	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-H2O-H"	-19.01839
"69124"	373.823924	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M-3H"	-3.021828
"511965"	561.239524	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M-3H"	-3.021828
"891594"	186.408324	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-3H"	-3.021828
"11624"	561.239524	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M-2H"	-2.014552
"448999"	842.362924	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M-2H"	-2.014552
"824616"	280.116124	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-2H"	-2.014552
"86792"	1123.486324	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M-H"	-1.007276
"524165"	1685.733124	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M-H"	-1.007276
"903060"	561.239524	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-H"	-1.007276
"56342"	1140.512871	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M-2H+NH4"	16.019271
"493718"	1702.759671	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M-2H+NH4"	16.019271
"870427"	578.266071	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-2H+NH4"	16.019271
"33956"	1145.468266	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M-2H+Na"	20.974666
"476797"	1707.715066	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M-2H+Na"	20.974666
"862259"	583.221466	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-2H+Na"	20.974666
"1632881"	583.221466	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Na-2H"	20.974666
"103945"	579.227863	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M-H+Cl"	33.962126
"548974"	860.351263	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M-H+Cl"	33.962126
"932648"	298.104463	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-H+Cl"	33.962126
"276671"	1159.463002	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+Cl"	34.969402
"674441"	1721.709802	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+Cl"	34.969402
"1287330"	597.216202	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Cl"	34.969402
"26240"	1161.442206	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M-2H+K"	36.948606
"464707"	1723.689006	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M-2H+K"	36.948606
"847492"	599.195406	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-2H+K"	36.948606
"1570007"	599.195406	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+K-2H"	36.948606
"957973"	607.244994	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-H+HCOOH"	44.998194
"375502"	1169.491801	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+HCOOH-H"	44.998201
"354891"	1183.507451	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+Hac-H"	59.013851
"1507613"	621.260651	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Hac-H"	59.013851
"971261"	629.226951	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-H+NaCOOH"	66.980151
"124544"	597.216202	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+2Cl"	69.938804
"561919"	878.339602	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+2Cl"	69.938804
"1032906"	316.092802	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2Cl"	69.938804
"1251391"	641.165685	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Br"	78.918885
"1311651"	643.221672	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Cl+HCOOH"	80.974872
"1329149"	665.203629	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Cl+NaCOOH"	102.956829
"916929"	675.232386	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M-H+CF3COOH"	112.985586
"1298015"	711.209064	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Cl+CF3COOH"	148.962264
"1377269"	527.234124	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H-2H2O"	-35.012676
"1386019"	545.2441	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H-H2O"	-17.0027
"283314"	1125.500876	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+H"	1.007276
"678128"	1687.747676	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+H"	1.007276
"1356663"	563.254076	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H"	1.007276
"132471"	563.254076	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+2H"	2.014552
"570210"	844.377476	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+2H"	2.014552
"1042290"	282.130676	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2H"	2.014552
"208005"	375.838476	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+3H"	3.021828
"650844"	563.254076	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+3H"	3.021828
"1170064"	188.422876	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+3H"	3.021828
"432242"	1142.527423	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+NH4"	18.033823
"794331"	1704.774223	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+NH4"	18.033823
"1685193"	580.280623	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+NH4"	18.033823
"336751"	571.7673495	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+H+NH4"	19.041099
"733913"	852.8907495	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+H+NH4"	19.041099
"1482993"	290.6439495	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H+NH4"	19.041099
"398396"	1147.482818	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+Na"	22.989218
"761577"	1709.729618	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+Na"	22.989218
"1607490"	585.236018	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Na"	22.989218
"316433"	574.245047	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+H+Na"	23.996494
"711042"	855.368447	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+H+Na"	23.996494
"1472152"	293.121647	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H+Na"	23.996494
"1060295"	195.75019	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2H+Na"	25.00377
"1260883"	595.280286	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+CH3OH+H"	33.033486
"387110"	1163.456758	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+K"	38.963158
"742641"	1725.703558	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+K"	38.963158
"1549066"	601.209958	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+K"	38.963158
"313538"	582.232017	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+H+K"	39.970434
"705595"	863.355417	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+H+K"	39.970434
"1460753"	301.108617	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H+K"	39.970434
"250208"	1166.527426	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+ACN+H"	42.033826
"1224616"	604.280626	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+ACN+H"	42.033826
"1208257"	302.643951	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+ACN+2H"	43.041102
"200034"	1169.46476	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+2Na-H"	44.97116
"636678"	1731.71156	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+2Na-H"	44.97116
"1143466"	607.21796	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2Na-H"	44.97116
"184569"	585.236018	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+2Na"	45.978436
"624859"	866.359418	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+2Na"	45.978436
"1128361"	304.112618	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2Na"	45.978436
"1403503"	203.077504	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H+2Na"	46.985712
"1441816"	609.259546	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H+HCOOH"	47.012746
"230779"	590.26904	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+3H2O+2H"	56.04448
"1519935"	623.31159	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+IsoProp+H"	61.06479
"416340"	593.222988	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+Na+K"	61.952376
"776245"	874.346388	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+Na+K"	61.952376
"1672577"	312.099588	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Na+K"	61.952376
"256918"	1188.509368	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+ACN+Na"	64.015768
"1235461"	626.262568	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+ACN+Na"	64.015768
"1724707"	626.286093	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+NH4+HCOOH"	64.039293
"1191155"	210.404818	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+3Na"	68.967654
"1659224"	631.241488	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Na+HCOOH"	68.994688
"167178"	1201.41264	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+2K-H"	76.91904
"609656"	1763.65944	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+2K-H"	76.91904
"1086879"	639.16584	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2K-H"	76.91904
"149160"	601.209958	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"2M+2K"	77.926316
"585442"	882.333358	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"3M+2K"	77.926316
"1071049"	320.086558	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2K"	77.926316
"1106446"	641.180392	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2K+H"	78.933592
"1336633"	641.268007	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+DMSO+H"	79.021207
"1012455"	645.307176	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2ACN+H"	83.060376
"1531675"	646.300808	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+IsoProp+Na+H"	84.054008
"1000312"	323.157226	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+2ACN+2H"	84.067652
"1589345"	647.215428	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+K+HCOOH"	84.968628
"1415005"	677.246938	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+H+CF3COOH"	115.000138
"1149670"	343.670501	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+3ACN+2H"	125.094202
"1697082"	694.273485	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+NH4+CF3COOH"	132.026685
"1634627"	699.22888	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+Na+CF3COOH"	136.98208
"1577086"	715.20282	"C09669"	"Trilobine"	"C35H34N2O5"	"562.2468"	"M+K+CF3COOH"	152.95602
"815111"	295.1208	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M"	0
"986457"	276.10241	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-H2O-H"	-19.01839
"68142"	195.739924	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M-3H"	-3.021828
"516453"	294.113524	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M-3H"	-3.021828
"890976"	97.366324	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-3H"	-3.021828
"8454"	294.113524	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M-2H"	-2.014552
"449110"	441.673924	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M-2H"	-2.014552
"825817"	146.553124	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-2H"	-2.014552
"87997"	589.234324	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M-H"	-1.007276
"526465"	884.355124	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M-H"	-1.007276
"900988"	294.113524	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-H"	-1.007276
"50987"	606.260871	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M-2H+NH4"	16.019271
"490548"	901.381671	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M-2H+NH4"	16.019271
"871630"	311.140071	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-2H+NH4"	16.019271
"36253"	611.216266	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M-2H+Na"	20.974666
"474721"	906.337066	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M-2H+Na"	20.974666
"862001"	316.095466	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-2H+Na"	20.974666
"1631172"	316.095466	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Na-2H"	20.974666
"106973"	312.101863	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M-H+Cl"	33.962126
"547991"	459.662263	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M-H+Cl"	33.962126
"933852"	164.541463	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-H+Cl"	33.962126
"278969"	625.211002	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+Cl"	34.969402
"672731"	920.331802	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+Cl"	34.969402
"1285983"	330.090202	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Cl"	34.969402
"24163"	627.190206	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M-2H+K"	36.948606
"461538"	922.311006	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M-2H+K"	36.948606
"839338"	332.069406	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-2H+K"	36.948606
"1566108"	332.069406	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+K-2H"	36.948606
"950710"	340.118994	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-H+HCOOH"	44.998194
"371116"	635.239801	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+HCOOH-H"	44.998201
"351717"	649.255451	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+Hac-H"	59.013851
"1499459"	354.134651	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Hac-H"	59.013851
"971372"	362.100951	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-H+NaCOOH"	66.980151
"112992"	330.090202	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+2Cl"	69.938804
"552190"	477.650602	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+2Cl"	69.938804
"1027550"	182.529802	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2Cl"	69.938804
"1243118"	374.039685	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Br"	78.918885
"1307389"	376.095672	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Cl+HCOOH"	80.974872
"1332906"	398.077629	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Cl+NaCOOH"	102.956829
"917039"	408.106386	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M-H+CF3COOH"	112.985586
"1298125"	444.083064	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Cl+CF3COOH"	148.962264
"1379566"	260.108124	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H-2H2O"	-35.012676
"1390506"	278.1181	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H-H2O"	-17.0027
"288005"	591.248876	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+H"	1.007276
"677145"	886.369676	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+H"	1.007276
"1360783"	296.128076	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H"	1.007276
"135861"	296.128076	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+2H"	2.014552
"572507"	443.688476	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+2H"	2.014552
"1042400"	148.567676	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2H"	2.014552
"208115"	197.754476	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+3H"	3.021828
"650954"	296.128076	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+3H"	3.021828
"1173454"	99.380876	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+3H"	3.021828
"429072"	608.275423	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+NH4"	18.033823
"794441"	903.396223	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+NH4"	18.033823
"1687489"	313.154623	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+NH4"	18.033823
"335770"	304.6413495	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+H+NH4"	19.041099
"726368"	452.2017495	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+H+NH4"	19.041099
"1484197"	157.0809495	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H+NH4"	19.041099
"398506"	613.230818	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+Na"	22.989218
"760594"	908.351618	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+Na"	22.989218
"1607602"	318.110018	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Na"	22.989218
"316543"	307.119047	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+H+Na"	23.996494
"714434"	454.679447	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+H+Na"	23.996494
"1471535"	159.558647	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H+Na"	23.996494
"1062594"	106.70819	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2H+Na"	25.00377
"1262087"	328.154286	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+CH3OH+H"	33.033486
"387220"	629.204758	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+K"	38.963158
"744938"	924.325558	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+K"	38.963158
"1553553"	334.083958	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+K"	38.963158
"313042"	315.106017	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+H+K"	39.970434
"705584"	462.666417	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+H+K"	39.970434
"1459771"	167.545617	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H+K"	39.970434
"248497"	632.275426	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+ACN+H"	42.033826
"1222662"	337.154626	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+ACN+H"	42.033826
"1207641"	169.080951	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+ACN+2H"	43.041102
"199416"	635.21276	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+2Na-H"	44.97116
"634602"	930.33356	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+2Na-H"	44.97116
"1141388"	340.09196	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2Na-H"	44.97116
"182490"	318.110018	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+2Na"	45.978436
"620959"	465.670418	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+2Na"	45.978436
"1126647"	170.549618	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2Na"	45.978436
"1400333"	114.035504	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H+2Na"	46.985712
"1441927"	342.133546	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H+HCOOH"	47.012746
"230889"	323.14304	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+3H2O+2H"	56.04448
"1519682"	356.18559	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+IsoProp+H"	61.06479
"414264"	326.096988	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+Na+K"	61.952376
"777448"	473.657388	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+Na+K"	61.952376
"1671592"	178.536588	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Na+K"	61.952376
"257027"	654.257368	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+ACN+Na"	64.015768
"1236298"	359.136568	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+ACN+Na"	64.015768
"1725182"	359.160093	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+NH4+HCOOH"	64.039293
"1187256"	121.362818	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+3Na"	68.967654
"1660429"	364.115488	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Na+HCOOH"	68.994688
"167290"	667.16064	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+2K-H"	76.91904
"605757"	962.28144	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+2K-H"	76.91904
"1093550"	372.03984	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2K-H"	76.91904
"150365"	334.083958	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"2M+2K"	77.926316
"585555"	481.644358	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"3M+2K"	77.926316
"1072253"	186.523558	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2K"	77.926316
"1103278"	374.054392	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2K+H"	78.933592
"1337835"	374.142007	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+DMSO+H"	79.021207
"1011471"	378.181176	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2ACN+H"	83.060376
"1525952"	379.174808	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+IsoProp+Na+H"	84.054008
"997139"	189.594226	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+2ACN+2H"	84.067652
"1588724"	380.089428	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+K+HCOOH"	84.968628
"1422773"	410.120938	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+H+CF3COOH"	115.000138
"1147186"	210.107501	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+3ACN+2H"	125.094202
"1697183"	427.147485	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+NH4+CF3COOH"	132.026685
"1634330"	432.10288	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+Na+CF3COOH"	136.98208
"1572823"	448.07682	"C09670"	"Xylopine"	"C18H17NO3"	"295.1208"	"M+K+CF3COOH"	152.95602
"806473"	355.1784	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M"	0
"980006"	336.16001	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-H2O-H"	-19.01839
"70438"	235.778324	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M-3H"	-3.021828
"511092"	354.171124	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M-3H"	-3.021828
"893270"	117.385524	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-3H"	-3.021828
"8564"	354.171124	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M-2H"	-2.014552
"452500"	531.760324	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M-2H"	-2.014552
"823742"	176.581924	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-2H"	-2.014552
"87015"	709.349524	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M-H"	-1.007276
"526575"	1064.527924	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M-H"	-1.007276
"901098"	354.171124	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-H"	-1.007276
"51098"	726.376071	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M-2H+NH4"	16.019271
"491750"	1081.554471	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M-2H+NH4"	16.019271
"869554"	371.197671	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-2H+NH4"	16.019271
"38551"	731.331466	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M-2H+Na"	20.974666
"481392"	1086.509866	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M-2H+Na"	20.974666
"858101"	376.153066	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-2H+Na"	20.974666
"1632010"	376.153066	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Na-2H"	20.974666
"108539"	372.159463	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M-H+Cl"	33.962126
"546648"	549.748663	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M-H+Cl"	33.962126
"938336"	194.570263	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-H+Cl"	33.962126
"279810"	745.326202	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+Cl"	34.969402
"671871"	1100.504602	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+Cl"	34.969402
"1286456"	390.147802	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Cl"	34.969402
"24273"	747.305406	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M-2H+K"	36.948606
"464928"	1102.483806	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M-2H+K"	36.948606
"842728"	392.127006	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-2H+K"	36.948606
"1568405"	392.127006	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+K-2H"	36.948606
"953007"	400.176594	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-H+HCOOH"	44.998194
"371226"	755.355001	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+HCOOH-H"	44.998201
"357295"	769.370651	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+Hac-H"	59.013851
"1503943"	414.192251	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Hac-H"	59.013851
"968203"	422.158551	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-H+NaCOOH"	66.980151
"114925"	390.147802	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+2Cl"	69.938804
"553392"	567.737002	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+2Cl"	69.938804
"1022919"	212.558602	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2Cl"	69.938804
"1246142"	434.097285	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Br"	78.918885
"1308957"	436.153272	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Cl+HCOOH"	80.974872
"1331557"	458.135229	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Cl+NaCOOH"	102.956829
"920429"	468.163986	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M-H+CF3COOH"	112.985586
"1303335"	504.140664	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Cl+CF3COOH"	148.962264
"1377493"	320.165724	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H-2H2O"	-35.012676
"1390616"	338.1757	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H-H2O"	-17.0027
"288115"	711.364076	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+H"	1.007276
"681629"	1066.542476	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+H"	1.007276
"1362351"	356.185676	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H"	1.007276
"137429"	356.185676	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+2H"	2.014552
"572617"	533.774876	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+2H"	2.014552
"1044697"	178.596476	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2H"	2.014552
"212599"	237.792876	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+3H"	3.021828
"656531"	356.185676	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+3H"	3.021828
"1173564"	119.400076	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+3H"	3.021828
"431368"	728.390623	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+NH4"	18.033823
"796374"	1083.569023	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+NH4"	18.033823
"1686508"	373.212223	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+NH4"	18.033823
"342441"	364.6989495	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+H+NH4"	19.041099
"737051"	542.2881495	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+H+NH4"	19.041099
"1485403"	187.1097495	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H+NH4"	19.041099
"400803"	733.346018	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+Na"	22.989218
"761797"	1088.524418	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+Na"	22.989218
"1608805"	378.167618	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Na"	22.989218
"323215"	367.176647	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+H+Na"	23.996494
"715635"	544.765847	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+H+Na"	23.996494
"1469459"	189.587447	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H+Na"	23.996494
"1063797"	126.72739	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2H+Na"	25.00377
"1263290"	388.211886	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+CH3OH+H"	33.033486
"382959"	749.319958	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+K"	38.963158
"750516"	1104.498358	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+K"	38.963158
"1553296"	394.141558	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+K"	38.963158
"302090"	375.163617	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+H+K"	39.970434
"703263"	552.752817	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+H+K"	39.970434
"1458177"	197.574417	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H+K"	39.970434
"249333"	752.390626	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+ACN+H"	42.033826
"1222772"	397.212226	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+ACN+H"	42.033826
"1207746"	199.109751	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+ACN+2H"	43.041102
"200618"	755.32796	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+2Na-H"	44.97116
"640177"	1110.50636	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+2Na-H"	44.97116
"1141496"	400.14956	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2Na-H"	44.97116
"182600"	378.167618	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+2Na"	45.978436
"622162"	555.756818	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+2Na"	45.978436
"1126761"	200.578418	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2Na"	45.978436
"1403723"	134.054704	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H+2Na"	46.985712
"1441305"	402.191146	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H+HCOOH"	47.012746
"229906"	383.20064	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+3H2O+2H"	56.04448
"1519062"	416.24319	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+IsoProp+H"	61.06479
"414374"	386.154588	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+Na+K"	61.952376
"780840"	563.743788	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+Na+K"	61.952376
"1671704"	208.565388	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Na+K"	61.952376
"260418"	774.372568	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+ACN+Na"	64.015768
"1236407"	419.194168	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+ACN+Na"	64.015768
"1723106"	419.217693	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+NH4+HCOOH"	64.039293
"1184086"	141.382018	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+3Na"	68.967654
"1657259"	424.173088	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Na+HCOOH"	68.994688
"161933"	787.27584	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+2K-H"	76.91904
"600400"	1142.45424	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+2K-H"	76.91904
"1088192"	432.09744	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2K-H"	76.91904
"144282"	394.141558	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"2M+2K"	77.926316
"585666"	571.730758	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"3M+2K"	77.926316
"1073458"	216.552358	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2K"	77.926316
"1105573"	434.111992	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2K+H"	78.933592
"1337946"	434.199607	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+DMSO+H"	79.021207
"1009394"	438.238776	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2ACN+H"	83.060376
"1529707"	439.232408	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+IsoProp+Na+H"	84.054008
"999437"	219.623026	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+2ACN+2H"	84.067652
"1593940"	440.147028	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+K+HCOOH"	84.968628
"1414861"	470.178538	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+H+CF3COOH"	115.000138
"1153172"	240.136301	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+3ACN+2H"	125.094202
"1703817"	487.205085	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+NH4+CF3COOH"	132.026685
"1635458"	492.16048	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+Na+CF3COOH"	136.98208
"1572933"	508.13442	"C09671"	"Xylopinine;Norcoralydine"	"C21H25NO4"	"355.1784"	"M+K+CF3COOH"	152.95602
"807676"	204.1878	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M"	0
"983397"	185.16941	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"71642"	135.117924	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516672"	203.180524	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"891195"	67.055324	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"10864"	203.180524	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"449330"	305.274424	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"827132"	101.086624	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"87124"	407.368324	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"525590"	611.556124	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"901208"	203.180524	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"53394"	424.394871	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"490770"	628.582671	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"870758"	220.207071	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"43036"	429.350266	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"483689"	633.538066	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"860398"	225.162466	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1633581"	225.162466	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"108895"	221.168863	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"545663"	323.262763	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"940633"	119.074963	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"280284"	443.345002	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"673434"	647.532802	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1286205"	239.157202	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"24384"	445.324206	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"462851"	649.512006	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"842838"	241.136406	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1566329"	241.136406	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957128"	249.185994	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375592"	453.373801	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359229"	467.389451	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1503327"	263.201651	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970501"	271.167951	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"117222"	239.157202	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"558971"	341.251102	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1024853"	137.063302	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1245889"	283.106685	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309796"	285.162672	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1330574"	307.144629	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920539"	317.173386	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302352"	353.150064	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1379790"	169.175124	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394007"	187.1851	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"293692"	409.382876	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"686114"	613.570676	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1361369"	205.195076	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H"	1.007276
"135352"	205.195076	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"574914"	307.288976	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1048088"	103.101176	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"212709"	137.132476	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"653361"	205.195076	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1173674"	69.069876	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"432573"	426.409423	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"796849"	630.597223	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1685527"	222.221623	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"333805"	213.7083495	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"730599"	315.8022495	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1485513"	111.6144495	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"397633"	431.364818	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"760814"	635.552618	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1610009"	227.177018	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"324418"	216.186047	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"714652"	318.279947	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1471755"	114.092147	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1063907"	76.39719	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1264492"	237.221286	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383070"	447.338758	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"750626"	651.526558	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1553770"	243.150958	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+K"	38.963158
"305482"	224.173017	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"703373"	326.266917	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458287"	122.079117	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246887"	450.409426	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1224825"	246.221626	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207856"	123.614451	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202186"	453.34676	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"640289"	657.53456	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1140513"	249.15896	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"183806"	227.177018	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623365"	329.270918	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1127602"	125.083118	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1407113"	83.724504	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1441417"	251.200546	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234391"	232.21004	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1520265"	265.25259	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"413754"	235.163988	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"782772"	337.257888	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1673999"	133.070088	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"261622"	472.391368	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1238339"	268.203568	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1721029"	268.227093	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1183103"	91.051818	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1657369"	273.182488	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"164231"	485.29464	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601604"	689.48244	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1086118"	281.10684	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"150589"	243.150958	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"586869"	345.244858	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1075755"	141.057058	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1104591"	283.121392	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1339149"	283.209007	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1009504"	287.248176	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1530911"	288.241808	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"998453"	144.127726	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1591862"	289.156428	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1414605"	319.187938	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1153282"	164.641001	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1707207"	336.214485	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635204"	341.16988	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1576323"	357.14382	"C09672"	"Germacrene B;(EE)-Germacrene B;(EE)-15-Dimethyl-8-(1-methylethylidene)-15-cyclodecadiene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"809972"	220.1463	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M"	0
"983507"	201.12791	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-H2O-H"	-19.01839
"72845"	145.756924	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M-3H"	-3.021828
"506937"	219.139024	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M-3H"	-3.021828
"894342"	72.374824	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-3H"	-3.021828
"14984"	219.139024	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M-2H"	-2.014552
"451626"	329.212174	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M-2H"	-2.014552
"831493"	109.065874	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-2H"	-2.014552
"89420"	439.285324	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M-H"	-1.007276
"527887"	659.431624	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M-H"	-1.007276
"904597"	219.139024	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-H"	-1.007276
"55689"	456.311871	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M-2H+NH4"	16.019271
"498532"	676.458171	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M-2H+NH4"	16.019271
"877427"	236.165571	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-2H+NH4"	16.019271
"43146"	461.267266	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M-2H+Na"	20.974666
"483799"	681.413566	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M-2H+Na"	20.974666
"860508"	241.120966	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-2H+Na"	20.974666
"1633567"	241.120966	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Na-2H"	20.974666
"108522"	237.127363	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M-H+Cl"	33.962126
"546502"	347.200513	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M-H+Cl"	33.962126
"940015"	127.054213	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-H+Cl"	33.962126
"279667"	475.262002	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+Cl"	34.969402
"672089"	695.408302	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+Cl"	34.969402
"1285953"	255.115702	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Cl"	34.969402
"22307"	477.241206	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M-2H+K"	36.948606
"462961"	697.387506	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M-2H+K"	36.948606
"842584"	257.094906	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-2H+K"	36.948606
"1565345"	257.094906	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+K-2H"	36.948606
"956509"	265.144494	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-H+HCOOH"	44.998194
"375823"	485.290801	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+HCOOH-H"	44.998201
"355329"	499.306451	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+Hac-H"	59.013851
"1505985"	279.160151	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Hac-H"	59.013851
"972796"	287.126451	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-H+NaCOOH"	66.980151
"118424"	255.115702	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+2Cl"	69.938804
"559081"	365.188852	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+2Cl"	69.938804
"1027879"	145.042552	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2Cl"	69.938804
"1248185"	299.065185	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Br"	78.918885
"1310999"	301.121172	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Cl+HCOOH"	80.974872
"1327402"	323.103129	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Cl+NaCOOH"	102.956829
"923929"	333.131886	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M-H+CF3COOH"	112.985586
"1301368"	369.108564	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Cl+CF3COOH"	148.962264
"1382087"	185.133624	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H-2H2O"	-35.012676
"1394117"	203.1436	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H-H2O"	-17.0027
"293802"	441.299876	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+H"	1.007276
"688046"	661.446176	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+H"	1.007276
"1362208"	221.153576	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H"	1.007276
"136555"	221.153576	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+2H"	2.014552
"576117"	331.226726	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+2H"	2.014552
"1048198"	111.080426	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2H"	2.014552
"212819"	147.771476	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+3H"	3.021828
"653471"	221.153576	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+3H"	3.021828
"1173785"	74.389376	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+3H"	3.021828
"435963"	458.326423	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+NH4"	18.033823
"796959"	678.472723	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+NH4"	18.033823
"1686730"	238.180123	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+NH4"	18.033823
"336101"	229.6668495	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+H+NH4"	19.041099
"730709"	339.7399995	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+H+NH4"	19.041099
"1484529"	119.5936995	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H+NH4"	19.041099
"398836"	463.281818	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+Na"	22.989218
"759831"	683.428118	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+Na"	22.989218
"1611212"	243.135518	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Na"	22.989218
"325620"	232.144547	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+H+Na"	23.996494
"713669"	342.217697	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+H+Na"	23.996494
"1475144"	122.071397	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H+Na"	23.996494
"1068314"	81.71669	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2H+Na"	25.00377
"1266789"	253.179786	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+CH3OH+H"	33.033486
"385365"	479.255758	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+K"	38.963158
"753491"	699.402058	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+K"	38.963158
"1552786"	259.109458	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+K"	38.963158
"306686"	240.131517	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+H+K"	39.970434
"699108"	350.204667	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+H+K"	39.970434
"1456209"	130.058367	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H+K"	39.970434
"244810"	482.326426	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+ACN+H"	42.033826
"1223716"	262.180126	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+ACN+H"	42.033826
"1206869"	131.593701	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+ACN+2H"	43.041102
"203877"	485.26376	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+2Na-H"	44.97116
"641491"	705.41006	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+2Na-H"	44.97116
"1141716"	265.11746	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2Na-H"	44.97116
"186467"	243.135518	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+2Na"	45.978436
"623475"	353.208668	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+2Na"	45.978436
"1129168"	133.062368	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2Na"	45.978436
"1408317"	89.044004	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H+2Na"	46.985712
"1443713"	267.159046	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H+HCOOH"	47.012746
"234501"	248.16854	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+3H2O+2H"	56.04448
"1519282"	281.21109	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+IsoProp+H"	61.06479
"413499"	251.122488	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+Na+K"	61.952376
"783246"	361.195638	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+Na+K"	61.952376
"1673016"	141.049338	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Na+K"	61.952376
"264648"	504.308368	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+ACN+Na"	64.015768
"1240880"	284.162068	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+ACN+Na"	64.015768
"1721139"	284.185593	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+NH4+HCOOH"	64.039293
"1187586"	96.371318	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+3Na"	68.967654
"1657479"	289.140988	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Na+HCOOH"	68.994688
"166528"	517.21164	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+2K-H"	76.91904
"604994"	737.35794	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+2K-H"	76.91904
"1087684"	297.06534	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2K-H"	76.91904
"149606"	259.109458	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"2M+2K"	77.926316
"585886"	369.182608	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"3M+2K"	77.926316
"1075865"	149.036308	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2K"	77.926316
"1104701"	299.079892	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2K+H"	78.933592
"1338530"	299.167507	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+DMSO+H"	79.021207
"1010706"	303.206676	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2ACN+H"	83.060376
"1531021"	304.200308	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+IsoProp+Na+H"	84.054008
"998563"	152.106976	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+2ACN+2H"	84.067652
"1592336"	305.114928	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+K+HCOOH"	84.968628
"1415081"	335.146438	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+H+CF3COOH"	115.000138
"1153392"	172.620251	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+3ACN+2H"	125.094202
"1707317"	352.172985	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+NH4+CF3COOH"	132.026685
"1635678"	357.12838	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+Na+CF3COOH"	136.98208
"1576433"	373.10232	"C09673"	"Glutinosone"	"C14H20O2"	"220.1463"	"M+K+CF3COOH"	152.95602
"810082"	296.1624	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M"	0
"982524"	277.14401	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-H2O-H"	-19.01839
"71862"	196.434324	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M-3H"	-3.021828
"502850"	295.155124	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M-3H"	-3.021828
"883755"	97.713524	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-3H"	-3.021828
"11079"	295.155124	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M-2H"	-2.014552
"447360"	443.236324	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M-2H"	-2.014552
"821880"	147.073924	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-2H"	-2.014552
"89529"	591.317524	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M-H"	-1.007276
"529090"	887.479924	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M-H"	-1.007276
"906893"	295.155124	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-H"	-1.007276
"49239"	608.344071	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M-2H+NH4"	16.019271
"496455"	904.506471	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M-2H+NH4"	16.019271
"875349"	312.181671	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-2H+NH4"	16.019271
"39974"	613.299466	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M-2H+Na"	20.974666
"483909"	909.461866	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M-2H+Na"	20.974666
"860618"	317.137066	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-2H+Na"	20.974666
"1633072"	317.137066	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Na-2H"	20.974666
"107780"	313.143463	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M-H+Cl"	33.962126
"546611"	461.224663	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M-H+Cl"	33.962126
"939761"	165.062263	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-H+Cl"	33.962126
"279777"	627.294202	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+Cl"	34.969402
"672923"	923.456602	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+Cl"	34.969402
"1286059"	331.131802	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Cl"	34.969402
"19136"	629.273406	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M-2H+K"	36.948606
"463071"	925.435806	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M-2H+K"	36.948606
"839778"	333.111006	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-2H+K"	36.948606
"1565455"	333.111006	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+K-2H"	36.948606
"955891"	341.160594	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-H+HCOOH"	44.998194
"374841"	637.323001	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+HCOOH-H"	44.998201
"355439"	651.338651	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+Hac-H"	59.013851
"1503179"	355.176251	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Hac-H"	59.013851
"971813"	363.142551	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-H+NaCOOH"	66.980151
"118534"	331.131802	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+2Cl"	69.938804
"557003"	479.213002	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+2Cl"	69.938804
"1028352"	183.050602	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2Cl"	69.938804
"1247567"	375.081285	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Br"	78.918885
"1310015"	377.137272	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Cl+HCOOH"	80.974872
"1327512"	399.119229	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Cl+NaCOOH"	102.956829
"917476"	409.147986	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M-H+CF3COOH"	112.985586
"1293091"	445.124664	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Cl+CF3COOH"	148.962264
"1382482"	261.149724	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H-2H2O"	-35.012676
"1390946"	279.1597	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H-H2O"	-17.0027
"291724"	593.332076	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+H"	1.007276
"688522"	889.494476	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+H"	1.007276
"1365599"	297.169676	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H"	1.007276
"136665"	297.169676	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+2H"	2.014552
"575135"	445.250876	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+2H"	2.014552
"1049403"	149.088476	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2H"	2.014552
"217305"	198.448876	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+3H"	3.021828
"657957"	297.169676	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+3H"	3.021828
"1172802"	99.728076	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+3H"	3.021828
"432796"	610.358623	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+NH4"	18.033823
"793790"	906.521023	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+NH4"	18.033823
"1687933"	314.196223	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+NH4"	18.033823
"339491"	305.6829495	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+H+NH4"	19.041099
"730819"	453.7641495	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+H+NH4"	19.041099
"1484639"	157.6017495	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H+NH4"	19.041099
"398947"	615.314018	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+Na"	22.989218
"762128"	911.476418	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+Na"	22.989218
"1609136"	319.151618	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Na"	22.989218
"322451"	308.160647	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+H+Na"	23.996494
"717059"	456.241847	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+H+Na"	23.996494
"1470881"	160.079447	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H+Na"	23.996494
"1067044"	107.05539	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2H+Na"	25.00377
"1265805"	329.195886	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+CH3OH+H"	33.033486
"384381"	631.287958	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+K"	38.963158
"750846"	927.450358	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+K"	38.963158
"1549616"	335.125558	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+K"	38.963158
"307889"	316.147617	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+H+K"	39.970434
"699218"	464.228817	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+H+K"	39.970434
"1453039"	168.066417	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H+K"	39.970434
"243826"	634.358626	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+ACN+H"	42.033826
"1223097"	338.196226	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+ACN+H"	42.033826
"1204793"	169.601751	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+ACN+2H"	43.041102
"203014"	637.29596	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+2Na-H"	44.97116
"641601"	933.45836	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+2Na-H"	44.97116
"1141827"	341.13356	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2Na-H"	44.97116
"185484"	319.151618	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+2Na"	45.978436
"620305"	467.232818	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+2Na"	45.978436
"1129278"	171.070418	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2Na"	45.978436
"1407334"	114.382704	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H+2Na"	46.985712
"1442729"	343.175146	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H+HCOOH"	47.012746
"233518"	324.18464	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+3H2O+2H"	56.04448
"1519028"	357.22719	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+IsoProp+H"	61.06479
"413609"	327.138588	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+Na+K"	61.952376
"782992"	475.219788	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+Na+K"	61.952376
"1673126"	179.057388	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Na+K"	61.952376
"261842"	656.340568	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+ACN+Na"	64.015768
"1236736"	360.178168	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+ACN+Na"	64.015768
"1715053"	360.201693	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+NH4+HCOOH"	64.039293
"1184415"	121.710018	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+3Na"	68.967654
"1654308"	365.157088	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Na+HCOOH"	68.994688
"160075"	669.24384	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+2K-H"	76.91904
"601824"	965.40624	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+2K-H"	76.91904
"1085972"	373.08144	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2K-H"	76.91904
"148622"	335.125558	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"2M+2K"	77.926316
"585996"	483.206758	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"3M+2K"	77.926316
"1073788"	187.044358	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2K"	77.926316
"1105904"	375.095992	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2K+H"	78.933592
"1337547"	375.183607	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+DMSO+H"	79.021207
"1010452"	379.222776	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2ACN+H"	83.060376
"1531131"	380.216408	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+IsoProp+Na+H"	84.054008
"997580"	190.115026	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+2ACN+2H"	84.067652
"1595362"	381.131028	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+K+HCOOH"	84.968628
"1415555"	411.162538	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+H+CF3COOH"	115.000138
"1150222"	210.628301	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+3ACN+2H"	125.094202
"1707427"	428.189085	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+NH4+CF3COOH"	132.026685
"1635424"	433.14448	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+Na+CF3COOH"	136.98208
"1576543"	449.11842	"C09674"	"Graphinone;Ovalicin"	"C16H24O5"	"296.1624"	"M+K+CF3COOH"	152.95602
"810192"	198.1409	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M"	0
"982634"	179.12251	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-H2O-H"	-19.01839
"70879"	131.086657333333	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M-3H"	-3.021828
"504239"	197.133624	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M-3H"	-3.021828
"884957"	65.0396906666667	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-3H"	-3.021828
"10096"	197.133624	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M-2H"	-2.014552
"447470"	296.204074	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M-2H"	-2.014552
"824178"	98.063174	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-2H"	-2.014552
"85266"	395.274524	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M-H"	-1.007276
"530295"	593.415424	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M-H"	-1.007276
"902631"	197.133624	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-H"	-1.007276
"55910"	412.301071	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M-2H+NH4"	16.019271
"493287"	610.441971	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M-2H+NH4"	16.019271
"867809"	214.160171	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-2H+NH4"	16.019271
"36803"	417.256466	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M-2H+Na"	20.974666
"483657"	615.397366	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M-2H+Na"	20.974666
"863525"	219.115566	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-2H+Na"	20.974666
"1632817"	219.115566	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Na-2H"	20.974666
"107525"	215.121963	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M-H+Cl"	33.962126
"548421"	314.192413	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M-H+Cl"	33.962126
"934403"	116.051513	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-H+Cl"	33.962126
"275147"	431.251202	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+Cl"	34.969402
"670848"	629.392102	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+Cl"	34.969402
"1282159"	233.110302	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Cl"	34.969402
"23620"	433.230406	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M-2H+K"	36.948606
"459900"	631.371306	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M-2H+K"	36.948606
"837702"	235.089506	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-2H+K"	36.948606
"1566658"	235.089506	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+K-2H"	36.948606
"954177"	243.139094	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-H+HCOOH"	44.998194
"375312"	441.280001	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+HCOOH-H"	44.998201
"352269"	455.295651	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+Hac-H"	59.013851
"1497457"	257.154751	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Hac-H"	59.013851
"966457"	265.121051	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-H+NaCOOH"	66.980151
"113176"	233.110302	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+2Cl"	69.938804
"556746"	332.180752	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+2Cl"	69.938804
"1027004"	134.039852	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2Cl"	69.938804
"1245854"	277.059785	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Br"	78.918885
"1308301"	279.115772	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Cl+HCOOH"	80.974872
"1327622"	301.097729	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Cl+NaCOOH"	102.956829
"916493"	311.126486	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M-H+CF3COOH"	112.985586
"1298671"	347.103164	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Cl+CF3COOH"	148.962264
"1377926"	163.128224	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H-2H2O"	-35.012676
"1392149"	181.1382	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H-H2O"	-17.0027
"296938"	397.289076	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+H"	1.007276
"690092"	595.429976	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+H"	1.007276
"1365709"	199.148176	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H"	1.007276
"139693"	199.148176	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+2H"	2.014552
"579497"	298.218626	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+2H"	2.014552
"1048419"	100.077726	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2H"	2.014552
"214132"	133.101209333333	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+3H"	3.021828
"657700"	199.148176	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+3H"	3.021828
"1171818"	67.0542426666667	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+3H"	3.021828
"432905"	414.315623	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+NH4"	18.033823
"794992"	612.456523	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+NH4"	18.033823
"1690230"	216.174723	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+NH4"	18.033823
"340694"	207.6614495	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+H+NH4"	19.041099
"732022"	306.7318995	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+H+NH4"	19.041099
"1486937"	108.5909995	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H+NH4"	19.041099
"399058"	419.271018	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+Na"	22.989218
"762240"	617.411918	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+Na"	22.989218
"1608153"	221.130118	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Na"	22.989218
"322562"	210.139147	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+H+Na"	23.996494
"716079"	309.209597	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+H+Na"	23.996494
"1470992"	111.068697	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H+Na"	23.996494
"1060957"	74.3815566666667	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2H+Na"	25.00377
"1267009"	231.174386	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+CH3OH+H"	33.033486
"385584"	435.244958	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+K"	38.963158
"748769"	633.385858	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+K"	38.963158
"1547539"	237.104058	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+K"	38.963158
"309094"	218.126117	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+H+K"	39.970434
"701514"	317.196567	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+H+K"	39.970434
"1455337"	119.055667	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H+K"	39.970434
"247219"	438.315626	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+ACN+H"	42.033826
"1223937"	240.174726	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+ACN+H"	42.033826
"1204903"	120.591001	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+ACN+2H"	43.041102
"201426"	441.25296	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+2Na-H"	44.97116
"639522"	639.39386	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+2Na-H"	44.97116
"1141936"	243.11206	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2Na-H"	44.97116
"182675"	221.130118	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+2Na"	45.978436
"620414"	320.200568	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+2Na"	45.978436
"1125014"	122.059668	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2Na"	45.978436
"1407444"	81.7088706666667	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H+2Na"	46.985712
"1442475"	245.153646	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H+HCOOH"	47.012746
"233264"	226.16314	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+3H2O+2H"	56.04448
"1518044"	259.20569	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+IsoProp+H"	61.06479
"414812"	229.117088	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+Na+K"	61.952376
"778728"	328.187538	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+Na+K"	61.952376
"1680166"	130.046638	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Na+K"	61.952376
"257578"	460.297568	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+ACN+Na"	64.015768
"1239398"	262.156668	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+ACN+Na"	64.015768
"1716620"	262.180193	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+NH4+HCOOH"	64.039293
"1191083"	89.0361846666667	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+3Na"	68.967654
"1655146"	267.135588	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Na+HCOOH"	68.994688
"164559"	473.20084	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+2K-H"	76.91904
"603029"	671.34174	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+2K-H"	76.91904
"1087542"	275.05994	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2K-H"	76.91904
"150919"	237.104058	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"2M+2K"	77.926316
"585013"	336.174508	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"3M+2K"	77.926316
"1076086"	138.033608	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2K"	77.926316
"1111483"	277.074492	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2K+H"	78.933592
"1338752"	277.162107	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+DMSO+H"	79.021207
"1012022"	281.201276	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2ACN+H"	83.060376
"1532337"	282.194908	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+IsoProp+Na+H"	84.054008
"998784"	141.104276	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+2ACN+2H"	84.067652
"1598754"	283.109528	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+K+HCOOH"	84.968628
"1420042"	313.141038	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+H+CF3COOH"	115.000138
"1147172"	161.617551	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+3ACN+2H"	125.094202
"1700977"	330.167585	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+NH4+CF3COOH"	132.026685
"1635534"	335.12298	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+Na+CF3COOH"	136.98208
"1571425"	351.09692	"C09675"	"Guaiazulene;14-Dimethyl-7-isopropylazulene"	"C15H18"	"198.1409"	"M+K+CF3COOH"	152.95602
"810302"	222.1984	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M"	0
"983837"	203.18001	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"69896"	147.124990666667	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"503333"	221.191124	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"880937"	73.0588573333333	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"11300"	221.191124	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"448676"	332.290324	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"828667"	110.091924	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"88658"	443.389524	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"524940"	665.587924	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"900555"	221.191124	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"53835"	460.416071	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"494492"	682.614471	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"872294"	238.217671	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"39102"	465.371466	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"483770"	687.569866	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"862298"	243.173066	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1631102"	243.173066	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"106176"	239.179463	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"546099"	350.278663	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"932326"	128.080263	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"275257"	479.366202	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"671325"	701.564602	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1277167"	257.167802	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"23733"	481.345406	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"461105"	703.543806	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"839999"	259.147006	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1566770"	259.147006	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"953560"	267.196594	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"368494"	489.395001	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"354566"	503.410651	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1501213"	281.212251	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"965474"	289.178551	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"118757"	257.167802	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"554305"	368.267002	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1027114"	146.068602	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1247057"	301.117285	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1304222"	303.173272	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1324087"	325.155229	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"914781"	335.183986	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1294406"	371.160664	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1377308"	187.185724	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1393352"	205.1957	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"293039"	445.404076	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"687648"	667.602476	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1362903"	223.205676	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"133605"	223.205676	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"576449"	334.304876	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1048529"	112.106476	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"210963"	149.139542666667	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"655989"	223.205676	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1170835"	75.0734093333333	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"430827"	462.430623	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"794009"	684.629023	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1688152"	240.232223	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"335339"	231.7189495	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"729946"	342.8181495	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1482673"	120.6197495	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"395885"	467.386018	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"760161"	689.584418	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1608259"	245.187618	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"322675"	234.196647	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"719469"	345.295847	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1473288"	123.097447	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1067508"	82.4007233333333	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1270399"	255.231886	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"390802"	483.359958	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"752160"	705.558358	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1553116"	261.161558	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"308112"	242.183617	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"698346"	353.282817	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1457634"	131.084417	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"246236"	486.430626	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1221133"	264.232226	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1206114"	132.619751	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"201897"	489.36796	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"638542"	711.56636	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1139861"	267.16956	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"179871"	245.187618	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"620524"	356.286818	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1129135"	134.088418	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1411200"	89.7280373333333	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1441859"	269.211146	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"233011"	250.22064	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1517426"	283.26319	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"418936"	253.174588	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"775922"	364.273788	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1679547"	142.075388	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"254408"	508.412568	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1231491"	286.214168	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1716004"	286.237693	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1184635"	97.0553513333333	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1659998"	291.193088	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"161753"	521.31584	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"606420"	743.51424	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1087651"	299.11744	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"152123"	261.161558	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"591683"	372.260758	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1071824"	150.062358	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1105032"	301.131992	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1341416"	301.219607	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1016507"	305.258776	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1536820"	306.252408	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"998894"	153.133026	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1597771"	307.167028	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1426713"	337.198538	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1149346"	173.646301	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1704367"	354.225085	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1634913"	359.18048	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1580043"	375.15442	"C09676"	"Guaiol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"810412"	234.162	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M"	0
"983947"	215.14361	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"63681"	155.100724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"503606"	233.154724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"884083"	77.046724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"11412"	233.154724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"452066"	350.235724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"829865"	116.073724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"86578"	467.316724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"527234"	701.478724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"905037"	233.154724	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"56131"	484.343271	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"496787"	718.505271	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"874587"	250.181271	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"42491"	489.298666	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"483879"	723.460666	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"861679"	255.136666	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1632305"	255.136666	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"107379"	251.143063	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"546940"	368.224063	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"934622"	134.062063	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"276827"	503.293402	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"671071"	737.455402	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1279099"	269.131402	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"23843"	505.272606	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"464495"	739.434606	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"840109"	271.110606	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1566880"	271.110606	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"954764"	279.160194	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"370062"	513.322201	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"355769"	527.337851	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1502418"	293.175851	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"966679"	301.142151	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"116681"	269.131402	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"556238"	386.212402	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1026495"	152.050402	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1244251"	313.080885	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1304509"	315.136872	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1323833"	337.118829	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"916714"	347.147586	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1295609"	383.124264	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1377782"	199.149324	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1393462"	217.1593	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"293150"	469.331276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"690309"	703.493276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1363014"	235.169276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H"	1.007276
"138090"	235.169276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"577655"	352.250276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1049732"	118.088276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"208886"	157.115276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"649541"	235.169276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1174225"	79.061276	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"432032"	486.357823	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"790839"	720.519823	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1688265"	252.195823	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"335449"	243.6825495	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"728964"	360.7635495	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1481692"	126.6015495	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"398185"	491.313218	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"762459"	725.475218	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1609464"	257.151218	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"321687"	246.160247	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"718485"	363.241247	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1472305"	129.079247	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1065552"	86.38859	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1269418"	267.195486	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"389088"	507.287158	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"753364"	741.449158	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1553955"	273.125158	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+K"	38.963158
"304941"	254.147217	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"697362"	371.228217	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1453370"	137.066217	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"244159"	510.357826	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1217962"	276.195826	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1207313"	138.601551	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"200183"	513.29516	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"638652"	747.45716	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1137783"	279.13316	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"178887"	257.151218	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"618445"	374.232218	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1121951"	140.070218	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1410580"	93.715904	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1443060"	281.174746	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"230203"	262.18424	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1519358"	295.22679	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"419046"	265.138188	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"776032"	382.219188	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1677471"	148.057188	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"258893"	532.339768	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1235975"	298.177768	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1722675"	298.201293	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1188025"	101.043218	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1660107"	303.156688	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"161134"	545.24304	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"604343"	779.40504	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1087761"	311.08104	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"147859"	273.125158	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"591793"	390.206158	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1071934"	156.044158	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1109516"	313.095592	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1341526"	313.183207	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1016617"	317.222376	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1538023"	318.216008	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"997911"	159.114826	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1598974"	319.130628	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1426823"	349.162138	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1150549"	179.628101	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1704477"	366.188685	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1635752"	371.14408	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1576873"	387.11802	"C09677"	"Helminthosporal"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"810522"	236.1776	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M"	0
"986244"	217.15921	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"63186"	156.444457333333	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"502870"	235.170324	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"881033"	77.7185906666667	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"10428"	235.170324	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"451079"	353.259124	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"828881"	117.081524	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"80248"	471.347924	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"526249"	707.525524	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"906240"	235.170324	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"57335"	488.374471	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"492521"	724.552071	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"873604"	252.196871	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"42601"	493.329866	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"484352"	729.507466	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"862518"	257.152266	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1631686"	257.152266	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"108215"	253.158663	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"545226"	371.247463	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"933638"	135.069863	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"271103"	507.324602	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"671908"	743.502202	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1279209"	271.147002	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"25046"	509.303806	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"466791"	745.481406	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"839126"	273.126206	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1563344"	273.126206	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"951593"	281.175794	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"369807"	517.353401	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"355879"	531.369051	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1499244"	295.191451	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"970066"	303.157751	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"118611"	271.147002	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"558533"	389.235802	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1026969"	153.058202	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1243631"	315.096485	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1308266"	317.152472	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1322482"	339.134429	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"915730"	349.163186	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1290614"	385.139864	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1371693"	201.164924	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1393205"	219.1749	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"292166"	473.362476	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"688959"	709.540076	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1358750"	237.184876	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"132732"	237.184876	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"577765"	355.273676	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1048749"	119.096076	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"210091"	158.459009333333	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"651839"	237.184876	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1174335"	79.7331426666667	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"429954"	490.389023	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"790950"	726.566623	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1690563"	254.211423	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"331183"	245.6981495	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"727982"	363.7869495	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1481803"	127.6093495	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"399388"	495.344418	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"761476"	731.522018	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1609574"	259.166818	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"321797"	248.175847	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"718595"	366.264647	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1472415"	130.087047	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1065661"	87.0604566666667	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1269528"	269.211086	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"390292"	511.318358	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"752379"	747.495958	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1553701"	275.140758	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"308334"	256.162817	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"696379"	374.251617	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1453480"	138.074017	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"243176"	514.389026	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1218072"	278.211426	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1205236"	139.609351	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"201387"	517.32636	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"639855"	753.50396	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1141175"	281.14876	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"183371"	259.166818	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"620743"	377.255618	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1125342"	141.078018	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1411420"	94.3877706666667	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1443900"	283.190346	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"230313"	264.19984	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1519469"	297.24239	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"419156"	267.153788	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"776142"	385.242588	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1678309"	149.064988	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"262283"	536.370968	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1236086"	300.193368	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1721692"	300.216893	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1192510"	101.715084666667	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1655845"	305.172288	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"161611"	549.27424	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"603359"	785.45184	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1088964"	313.09664	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"149062"	275.140758	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"591903"	393.229558	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1078605"	157.051958	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1109626"	315.111192	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1341636"	315.198807	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1018914"	319.237976	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1534853"	320.231608	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"999114"	160.122626	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1599084"	321.146228	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1418183"	351.177738	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1152843"	180.635901	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1704587"	368.204285	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1634766"	373.15968	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1576983"	389.13362	"C09678"	"Helminthosporol"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"810632"	884.3889	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M"	0
"984171"	865.37051	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-H2O-H"	-19.01839
"63298"	588.585324	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M-3H"	-3.021828
"505407"	883.381624	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M-3H"	-3.021828
"884303"	293.789024	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-3H"	-3.021828
"11631"	883.381624	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M-2H"	-2.014552
"449002"	1325.576074	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M-2H"	-2.014552
"828991"	441.187174	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-2H"	-2.014552
"87892"	1767.770524	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M-H"	-1.007276
"524173"	2652.159424	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M-H"	-1.007276
"903069"	883.381624	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-H"	-1.007276
"56351"	1784.797071	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M-2H+NH4"	16.019271
"492631"	2669.185971	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M-2H+NH4"	16.019271
"865447"	900.408171	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-2H+NH4"	16.019271
"38336"	1789.752466	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M-2H+Na"	20.974666
"485920"	2674.141366	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M-2H+Na"	20.974666
"863721"	905.363566	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-2H+Na"	20.974666
"1633255"	905.363566	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Na-2H"	20.974666
"109055"	901.369963	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M-H+Cl"	33.962126
"548251"	1343.564413	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M-H+Cl"	33.962126
"937029"	459.175513	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-H+Cl"	33.962126
"273400"	1803.747202	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+Cl"	34.969402
"669100"	2688.136102	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+Cl"	34.969402
"1283693"	919.358302	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Cl"	34.969402
"26250"	1805.726406	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M-2H+K"	36.948606
"466902"	2690.115306	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M-2H+K"	36.948606
"839236"	921.337506	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-2H+K"	36.948606
"1561996"	921.337506	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+K-2H"	36.948606
"952797"	929.387094	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-H+HCOOH"	44.998194
"368824"	1813.776001	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+HCOOH-H"	44.998201
"352709"	1827.791651	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+Hac-H"	59.013851
"1500448"	943.402751	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Hac-H"	59.013851
"967990"	951.369051	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-H+NaCOOH"	66.980151
"121636"	919.358302	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+2Cl"	69.938804
"556819"	1361.552752	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+2Cl"	69.938804
"1028900"	477.163852	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2Cl"	69.938804
"1245566"	963.307785	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Br"	78.918885
"1307649"	965.363772	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Cl+HCOOH"	80.974872
"1326966"	987.345729	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Cl+NaCOOH"	102.956829
"913652"	997.374486	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M-H+CF3COOH"	112.985586
"1296920"	1033.351164	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Cl+CF3COOH"	148.962264
"1373989"	849.376224	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H-2H2O"	-35.012676
"1394775"	867.3862	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H-H2O"	-17.0027
"290089"	1769.785076	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+H"	1.007276
"690042"	2654.173976	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+H"	1.007276
"1364327"	885.396176	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H"	1.007276
"140135"	885.396176	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+2H"	2.014552
"578969"	1327.590626	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+2H"	2.014552
"1050682"	443.201726	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2H"	2.014552
"214573"	590.599876	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+3H"	3.021828
"647574"	885.396176	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+3H"	3.021828
"1172259"	295.803576	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+3H"	3.021828
"427878"	1786.811623	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+NH4"	18.033823
"793247"	2671.200523	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+NH4"	18.033823
"1689579"	902.422723	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+NH4"	18.033823
"335672"	893.9094495	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+H+NH4"	19.041099
"730279"	1336.1038995	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+H+NH4"	19.041099
"1484100"	451.7149995	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H+NH4"	19.041099
"399498"	1791.767018	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+Na"	22.989218
"762681"	2676.155918	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+Na"	22.989218
"1610778"	907.378118	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Na"	22.989218
"319721"	896.387147	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+H+Na"	23.996494
"719799"	1338.581597	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+H+Na"	23.996494
"1474348"	454.192697	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H+Na"	23.996494
"1066500"	303.13089	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2H+Na"	25.00377
"1271461"	917.422386	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+CH3OH+H"	33.033486
"391130"	1807.740958	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+K"	38.963158
"751397"	2692.129858	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+K"	38.963158
"1554784"	923.352058	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+K"	38.963158
"309536"	904.374117	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+H+K"	39.970434
"697582"	1346.568567	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+H+K"	39.970434
"1449215"	462.179667	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H+K"	39.970434
"248754"	1810.811626	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+ACN+H"	42.033826
"1220369"	926.422726	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+ACN+H"	42.033826
"1202065"	463.715001	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+ACN+2H"	43.041102
"200403"	1813.74896	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+2Na-H"	44.97116
"641059"	2698.13786	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+2Na-H"	44.97116
"1143471"	929.36006	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2Na-H"	44.97116
"183482"	907.378118	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+2Na"	45.978436
"623405"	1349.572568	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+2Na"	45.978436
"1126182"	465.183668	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2Na"	45.978436
"1411527"	310.458204	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H+2Na"	46.985712
"1439632"	931.401646	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H+HCOOH"	47.012746
"233708"	912.41114	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+3H2O+2H"	56.04448
"1522497"	945.45369	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+IsoProp+H"	61.06479
"422548"	915.365088	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+Na+K"	61.952376
"776252"	1357.559538	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+Na+K"	61.952376
"1675500"	473.170638	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Na+K"	61.952376
"262394"	1832.793568	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+ACN+Na"	64.015768
"1238382"	948.404668	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+ACN+Na"	64.015768
"1721802"	948.428193	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+NH4+HCOOH"	64.039293
"1186059"	317.785518	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+3Na"	68.967654
"1658142"	953.383588	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Na+HCOOH"	68.994688
"166095"	1845.69684	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+2K-H"	76.91904
"603469"	2730.08574	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+2K-H"	76.91904
"1089073"	961.30794	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2K-H"	76.91904
"151360"	923.352058	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"2M+2K"	77.926316
"588733"	1365.546508	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"3M+2K"	77.926316
"1074340"	481.157608	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2K"	77.926316
"1114839"	963.322492	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2K+H"	78.933592
"1341746"	963.410107	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+DMSO+H"	79.021207
"1015743"	967.449276	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2ACN+H"	83.060376
"1534962"	968.442908	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+IsoProp+Na+H"	84.054008
"1004691"	484.228276	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+2ACN+2H"	84.067652
"1602474"	969.357528	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+K+HCOOH"	84.968628
"1423761"	999.389038	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+H+CF3COOH"	115.000138
"1152953"	504.741551	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+3ACN+2H"	125.094202
"1704697"	1016.415585	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+NH4+CF3COOH"	132.026685
"1634433"	1021.37098	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+Na+CF3COOH"	136.98208
"1573813"	1037.34492	"C09679"	"Helminthosporoside A"	"C39H64O22"	"884.3889"	"M+K+CF3COOH"	152.95602
"802722"	260.1049	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M"	0
"974876"	241.08651	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-H2O-H"	-19.01839
"67053"	172.395990666667	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M-3H"	-3.021828
"503610"	259.097624	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M-3H"	-3.021828
"881495"	85.6943573333333	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-3H"	-3.021828
"5178"	259.097624	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M-2H"	-2.014552
"448020"	389.150074	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M-2H"	-2.014552
"825822"	129.045174	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-2H"	-2.014552
"86910"	519.202524	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M-H"	-1.007276
"524280"	779.307424	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M-H"	-1.007276
"902081"	259.097624	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-H"	-1.007276
"50992"	536.229071	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M-2H+NH4"	16.019271
"487750"	796.333971	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M-2H+NH4"	16.019271
"864704"	276.124171	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-2H+NH4"	16.019271
"31439"	541.184466	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M-2H+Na"	20.974666
"471931"	801.289366	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M-2H+Na"	20.974666
"855809"	281.079566	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-2H+Na"	20.974666
"1623154"	281.079566	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Na-2H"	20.974666
"104062"	277.085963	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M-H+Cl"	33.962126
"543622"	407.138413	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M-H+Cl"	33.962126
"929484"	147.033513	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-H+Cl"	33.962126
"271323"	555.179202	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+Cl"	34.969402
"664836"	815.284102	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+Cl"	34.969402
"1278335"	295.074302	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Cl"	34.969402
"17243"	557.158406	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M-2H+K"	36.948606
"460450"	817.263306	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M-2H+K"	36.948606
"838251"	297.053506	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-2H+K"	36.948606
"1560645"	297.053506	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+K-2H"	36.948606
"945613"	305.103094	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-H+HCOOH"	44.998194
"362728"	565.208001	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+HCOOH-H"	44.998201
"352815"	579.223651	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+Hac-H"	59.013851
"1497276"	319.118751	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Hac-H"	59.013851
"963725"	327.085051	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-H+NaCOOH"	66.980151
"115911"	295.074302	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+2Cl"	69.938804
"559845"	425.126752	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+2Cl"	69.938804
"1032292"	165.021852	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2Cl"	69.938804
"1252235"	339.023785	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Br"	78.918885
"1315047"	341.079772	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Cl+HCOOH"	80.974872
"1321972"	363.061729	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Cl+NaCOOH"	102.956829
"914855"	373.090486	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M-H+CF3COOH"	112.985586
"1294843"	409.067164	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Cl+CF3COOH"	148.962264
"1374099"	225.092224	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H-2H2O"	-35.012676
"1397436"	243.1022	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H-H2O"	-17.0027
"295666"	521.217076	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+H"	1.007276
"690396"	781.321976	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+H"	1.007276
"1366139"	261.112176	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H"	1.007276
"140610"	261.112176	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+2H"	2.014552
"579079"	391.164626	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+2H"	2.014552
"1051525"	131.059726	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2H"	2.014552
"213593"	174.410542666667	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+3H"	3.021828
"648048"	261.112176	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+3H"	3.021828
"1174560"	87.7089093333333	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+3H"	3.021828
"431267"	538.243623	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+NH4"	18.033823
"797734"	798.348523	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+NH4"	18.033823
"1689689"	278.138723	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+NH4"	18.033823
"335053"	269.6254495	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+H+NH4"	19.041099
"729660"	399.6778995	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+H+NH4"	19.041099
"1485668"	139.5729995	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H+NH4"	19.041099
"399608"	543.199018	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+Na"	22.989218
"761698"	803.303918	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+Na"	22.989218
"1610888"	283.094118	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Na"	22.989218
"318008"	272.103147	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+H+Na"	23.996494
"717723"	402.155597	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+H+Na"	23.996494
"1473365"	142.050697	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H+Na"	23.996494
"1064057"	95.0362233333333	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2H+Na"	25.00377
"1266466"	293.138386	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+CH3OH+H"	33.033486
"383952"	559.172958	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+K"	38.963158
"748226"	819.277858	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+K"	38.963158
"1551004"	299.068058	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+K"	38.963158
"305273"	280.090117	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+H+K"	39.970434
"697693"	410.142567	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+H+K"	39.970434
"1451513"	150.037667	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H+K"	39.970434
"241212"	562.243626	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+ACN+H"	42.033826
"1215013"	302.138726	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+ACN+H"	42.033826
"1203269"	151.573001	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+ACN+2H"	43.041102
"196139"	565.18096	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+2Na-H"	44.97116
"634608"	825.28586	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+2Na-H"	44.97116
"1138113"	305.07606	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2Na-H"	44.97116
"179218"	283.094118	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+2Na"	45.978436
"619870"	413.146568	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+2Na"	45.978436
"1123376"	153.041668	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2Na"	45.978436
"1409450"	102.363537333333	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H+2Na"	46.985712
"1437919"	307.117646	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H+HCOOH"	47.012746
"230169"	288.12714	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+3H2O+2H"	56.04448
"1517866"	321.16969	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+IsoProp+H"	61.06479
"420106"	291.081088	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+Na+K"	61.952376
"776362"	421.133538	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+Na+K"	61.952376
"1674881"	161.028638	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Na+K"	61.952376
"263960"	584.225568	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+ACN+Na"	64.015768
"1236306"	324.120668	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+ACN+Na"	64.015768
"1723006"	324.144193	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+NH4+HCOOH"	64.039293
"1188356"	109.690851333333	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+3Na"	68.967654
"1659346"	329.099588	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Na+HCOOH"	68.994688
"164019"	597.12884	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+2K-H"	76.91904
"607954"	857.23374	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+2K-H"	76.91904
"1089184"	337.02394	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2K-H"	76.91904
"150377"	299.068058	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"2M+2K"	77.926316
"585563"	429.120508	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"3M+2K"	77.926316
"1076637"	169.015608	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2K"	77.926316
"1108752"	339.038492	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2K+H"	78.933592
"1341856"	339.126107	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+DMSO+H"	79.021207
"1010386"	343.165276	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2ACN+H"	83.060376
"1531792"	344.158908	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+IsoProp+Na+H"	84.054008
"1003708"	172.086276	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+2ACN+2H"	84.067652
"1599304"	345.073528	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+K+HCOOH"	84.968628
"1423871"	375.105038	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+H+CF3COOH"	115.000138
"1149784"	192.599551	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+3ACN+2H"	125.094202
"1701527"	392.131585	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+NH4+CF3COOH"	132.026685
"1634664"	397.08698	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+Na+CF3COOH"	136.98208
"1571326"	413.06092	"C09680"	"Hemigossypol"	"C15H16O4"	"260.1049"	"M+K+CF3COOH"	152.95602
"810852"	236.1776	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M"	0
"980011"	217.15921	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"68258"	156.444457333333	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"506719"	235.170324	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"882335"	77.7185906666667	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"4194"	235.170324	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"451412"	353.259124	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"827025"	117.081524	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"91028"	471.347924	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"523297"	707.525524	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"902191"	235.170324	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"48913"	488.374471	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"492849"	724.552071	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"865547"	252.196871	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"32357"	493.329866	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"472157"	729.507466	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"854825"	257.152266	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1623264"	257.152266	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"104172"	253.158663	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"542639"	371.247463	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"933968"	135.069863	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"274713"	507.324602	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"663855"	743.502202	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1277716"	271.147002	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"20269"	509.303806	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"458008"	745.481406	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"834350"	273.126206	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1561848"	273.126206	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"947545"	281.175794	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"362839"	517.353401	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"350373"	531.369051	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1498114"	295.191451	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"964199"	303.157751	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"116021"	271.147002	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"557039"	389.235802	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1033131"	153.058202	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1252710"	315.096485	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1315157"	317.152472	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1323174"	339.134429	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"914601"	349.163186	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1293131"	385.139864	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1372387"	201.164924	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1397182"	219.1749	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"296871"	473.362476	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"690019"	709.540076	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1366697"	237.184876	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"141117"	237.184876	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"579189"	355.273676	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1050174"	119.096076	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"214795"	158.459009333333	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"649982"	237.184876	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1168106"	79.7331426666667	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"430286"	490.389023	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"793466"	726.566623	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1691986"	254.211423	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"339171"	245.6981495	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"728677"	363.7869495	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1482133"	127.6093495	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"400812"	495.344418	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"760713"	731.522018	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1608814"	259.166818	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"322129"	248.175847	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"718927"	366.264647	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1472745"	130.087047	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1063438"	87.0604566666667	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1267305"	269.211086	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"387341"	511.318358	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"751250"	747.495958	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1550021"	275.140758	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"306476"	256.162817	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"696709"	374.251617	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1450530"	138.074017	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"242415"	514.389026	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1215124"	278.211426	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1203379"	139.609351	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"197344"	517.32636	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"634720"	753.50396	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1139317"	281.14876	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"176047"	259.166818	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"622168"	377.255618	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1122394"	141.078018	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1411387"	94.3877706666667	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1442042"	283.190346	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"228821"	264.19984	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1516883"	297.24239	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"417664"	267.153788	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"775379"	385.242588	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1672805"	149.064988	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"266136"	536.370968	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1239696"	300.193368	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1724209"	300.216893	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1189562"	101.715084666667	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1664078"	305.172288	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"168504"	549.27424	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"611834"	785.45184	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1094763"	313.09664	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"156081"	275.140758	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"588954"	393.229558	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1074560"	157.051958	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1105581"	315.111192	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1341966"	315.198807	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1009403"	319.237976	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1526433"	320.231608	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"998350"	160.122626	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1596134"	321.146228	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1420701"	351.177738	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1149165"	180.635901	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1698356"	368.204285	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1634732"	373.15968	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1571967"	389.13362	"C09681"	"Hernandulcin"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"816636"	222.1984	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M"	0
"988871"	203.18001	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"67272"	147.124990666667	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"510112"	221.191124	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"883542"	73.0588573333333	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"6489"	221.191124	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"447143"	332.290324	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"822760"	110.091924	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"88221"	443.389524	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"526687"	665.587924	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"903395"	221.191124	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"48295"	460.416071	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"490036"	682.614471	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"866745"	238.217671	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"34290"	465.371466	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"473970"	687.569866	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"856028"	243.173066	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1623374"	243.173066	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"103184"	239.179463	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"546030"	350.278663	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"935171"	128.080263	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"277375"	479.366202	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"666151"	701.564602	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1277462"	257.167802	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"18195"	481.345406	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"461764"	703.543806	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"835191"	259.147006	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1560866"	259.147006	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"950937"	267.196594	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"371339"	489.395001	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"353036"	503.410651	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1499684"	281.212251	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"961756"	289.178551	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"113945"	257.167802	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"554233"	368.267002	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1029230"	146.068602	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1244800"	301.117285	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1309799"	303.173272	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1323283"	325.155229	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"913615"	335.183986	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1291417"	371.160664	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1375415"	187.185724	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1398304"	205.1957	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"298032"	445.404076	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"688672"	667.602476	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1366833"	223.205676	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"141071"	223.205676	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"577111"	334.304876	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1047006"	112.106476	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"211625"	149.139542666667	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"648632"	223.205676	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1170403"	75.0734093333333	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"428573"	462.430623	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790297"	684.629023	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1687724"	240.232223	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"339281"	231.7189495	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"730611"	342.8181495	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1481150"	120.6197495	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"399829"	467.386018	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"764106"	689.584418	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1610018"	245.187618	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"326616"	234.196647	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"720130"	345.295847	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1475897"	123.097447	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1066829"	82.4007233333333	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1267779"	255.231886	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"391459"	483.359958	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"750631"	705.558358	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1550131"	261.161558	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"307682"	242.183617	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"693174"	353.282817	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1451735"	131.084417	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"239245"	486.430626	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1215235"	264.232226	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1201304"	132.619751	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"197456"	489.36796	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"632642"	711.56636	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1133960"	267.16956	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"174333"	245.187618	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"614621"	356.286818	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1116668"	134.088418	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1408215"	89.7280373333333	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1441059"	269.211146	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"224557"	250.22064	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1512623"	283.26319	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"409268"	253.174588	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"771117"	364.273788	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1669635"	142.075388	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"266004"	508.412568	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1237619"	286.214168	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1724318"	286.237693	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1188578"	97.0553513333333	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1664671"	291.193088	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"169707"	521.31584	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"603800"	743.51424	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1095967"	299.11744	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"155583"	261.161558	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"592344"	372.260758	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1076857"	150.062358	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1108973"	301.131992	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1337702"	301.219607	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1007691"	305.258776	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1529826"	306.252408	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"998462"	153.133026	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1592965"	307.167028	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420811"	337.198538	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1152191"	173.646301	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1697735"	354.225085	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1634166"	359.18048	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1571587"	375.15442	"C09682"	"Himachalol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"816940"	264.1362	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M"	0
"983511"	245.11781	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"64104"	175.083524	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"510222"	263.128924	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"883652"	87.038124	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"5507"	263.128924	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"447255"	395.197024	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"826151"	131.060824	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"82865"	527.265124	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"527892"	791.401324	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"906787"	263.128924	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"50228"	544.291671	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"491974"	808.427871	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"866860"	280.155471	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"34400"	549.247066	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"476146"	813.383266	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"856138"	285.110866	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1623483"	285.110866	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"103294"	281.117263	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"545776"	413.185363	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"934188"	149.049163	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"277849"	563.241802	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"666261"	827.378002	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1279758"	299.105602	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"20128"	565.221006	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"462967"	829.357206	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"836029"	301.084806	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1560976"	301.084806	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"952140"	309.134394	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"371449"	573.270601	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"354969"	587.286251	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1500887"	323.150051	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"959435"	331.116351	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"112232"	299.105602	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"553979"	431.173702	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1027883"	167.037502	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1243449"	343.055085	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1308086"	345.111072	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1323397"	367.093029	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"918465"	377.121786	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1293351"	413.098464	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1375525"	229.123524	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1397037"	247.1335	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"297818"	529.279676	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"690240"	793.415876	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1366551"	265.143476	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"141269"	265.143476	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"576128"	397.211576	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1047116"	133.075376	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"210643"	177.098076	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"646192"	265.143476	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1170514"	89.052676	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"426497"	546.306223	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"790408"	810.442423	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1686742"	282.170023	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"338298"	273.6567495	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"729628"	405.7248495	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1482353"	141.5886495	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"401032"	551.261618	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"763122"	815.397818	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1607941"	287.125418	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"322352"	276.134447	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"719147"	408.202547	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1470781"	144.066347	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1064024"	96.37999	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1266795"	297.169686	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"388652"	567.235558	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"748554"	831.371758	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1548418"	303.099358	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"307791"	284.121417	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"700211"	416.189517	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1451847"	152.053317	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"241540"	570.306226	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1213158"	306.170026	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1199228"	153.588651	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"191005"	573.24356	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"636033"	837.37976	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1137349"	309.10736	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"176630"	287.125418	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"621293"	419.193518	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1121518"	155.057318	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1409418"	103.707304	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1442628"	311.148946	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"222482"	292.15844	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1514920"	325.20099	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"414605"	295.112388	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"784352"	427.180488	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1675213"	163.044288	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"263196"	592.288168	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1235543"	328.151968	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1721148"	328.175493	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1187596"	111.034618	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1659677"	333.130888	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"167630"	605.19144	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"610471"	869.32764	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1096077"	341.05524	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"151802"	303.099358	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"589173"	435.167458	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1074780"	171.031258	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1106895"	343.069792	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1342187"	343.157407	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1010717"	347.196576	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1529936"	348.190208	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"996385"	174.101926	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1591982"	349.104828	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1424202"	379.136338	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1157768"	194.615201	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1698574"	396.162885	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1635320"	401.11828	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1572426"	417.09222	"C09683"	"Hirsutic acid C"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"817063"	204.1878	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M"	0
"985808"	185.16941	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"70776"	135.117924	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"513616"	203.180524	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"894699"	67.055324	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"9993"	203.180524	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"451741"	305.274424	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"830636"	101.086624	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"85163"	407.368324	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533105"	611.556124	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"910177"	203.180524	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"52526"	424.394871	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"497553"	628.582671	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"868796"	220.207071	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"32687"	429.350266	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479537"	633.538066	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858436"	225.162466	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1623594"	225.162466	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104500"	221.168863	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"548074"	323.262763	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"937216"	119.074963	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"280512"	443.345002	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"671474"	647.532802	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1283149"	239.157202	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"23519"	445.324206	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"463080"	649.512006	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"840878"	241.136406	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562181"	241.136406	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"948970"	249.185994	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"370468"	453.373801	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353619"	467.389451	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1500997"	263.201651	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965257"	271.167951	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"116354"	239.157202	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"557006"	341.251102	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1027994"	137.063302	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1244291"	283.106685	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1313300"	285.162672	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1329703"	307.144629	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"918575"	317.173386	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1296377"	353.150064	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1377822"	169.175124	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1396418"	187.1851	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"293915"	409.382876	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"690353"	613.570676	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1366825"	205.195076	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H"	1.007276
"141135"	205.195076	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571865"	307.288976	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1047226"	103.101176	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"208931"	137.132476	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"645574"	205.195076	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1166252"	69.069876	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"428067"	426.409423	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"789061"	630.597223	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684661"	222.221623	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"338410"	213.7083495	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"728645"	315.8022495	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1478452"	111.6144495	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"397495"	431.364818	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"757400"	635.552618	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1608050"	227.177018	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"319182"	216.186047	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"718163"	318.279947	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1469797"	114.092147	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1061948"	76.39719	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1266906"	237.221286	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"386577"	447.338758	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"748666"	651.526558	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1555091"	243.150958	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+K"	38.963158
"311174"	224.173017	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"698135"	326.266917	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1453050"	122.079117	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"241651"	450.409426	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1214362"	246.221626	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1198245"	123.614451	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"197677"	453.34676	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"636144"	657.53456	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146576"	249.15896	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"179654"	227.177018	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"621404"	329.270918	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1128192"	125.083118	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1411717"	83.724504	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443831"	251.200546	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234620"	232.21004	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1518310"	265.25259	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"415809"	235.163988	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783004"	337.257888	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1674230"	133.070088	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"263673"	472.391368	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1234559"	268.203568	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720165"	268.227093	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1186613"	91.051818	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659787"	273.182488	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166648"	485.29464	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"611675"	689.48244	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1096187"	281.10684	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"153738"	243.150958	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"590376"	345.244858	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1077077"	141.057058	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1112473"	283.121392	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1343391"	283.209007	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1010827"	287.248176	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1532233"	288.241808	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"998682"	144.127726	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593186"	289.156428	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1423219"	319.187938	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1152411"	164.641001	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1701966"	336.214485	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1636523"	341.16988	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1572537"	357.14382	"C09684"	"Humulene;alpha-Humulene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"811292"	320.1988	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M"	0
"981543"	301.18041	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-H2O-H"	-19.01839
"70885"	212.458590666667	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M-3H"	-3.021828
"512630"	319.191524	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M-3H"	-3.021828
"894568"	105.725657333333	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-3H"	-3.021828
"7916"	319.191524	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M-2H"	-2.014552
"448570"	479.290924	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M-2H"	-2.014552
"830382"	159.092124	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-2H"	-2.014552
"88554"	639.390324	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M-H"	-1.007276
"531392"	959.589124	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M-H"	-1.007276
"908468"	319.191524	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-H"	-1.007276
"60289"	656.416871	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M-2H+NH4"	16.019271
"497663"	976.615671	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M-2H+NH4"	16.019271
"873279"	336.218071	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-2H+NH4"	16.019271
"41181"	661.372266	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M-2H+Na"	20.974666
"479647"	981.571066	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M-2H+Na"	20.974666
"857453"	341.173466	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-2H+Na"	20.974666
"1623704"	341.173466	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Na-2H"	20.974666
"104610"	337.179863	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M-H+Cl"	33.962126
"548549"	497.279263	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M-H+Cl"	33.962126
"939148"	177.080463	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-H+Cl"	33.962126
"279529"	675.367002	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+Cl"	34.969402
"671584"	995.565802	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+Cl"	34.969402
"1283988"	355.168202	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Cl"	34.969402
"21443"	677.346206	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M-2H+K"	36.948606
"466106"	997.545006	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M-2H+K"	36.948606
"840988"	357.147406	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-2H+K"	36.948606
"1559739"	357.147406	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+K-2H"	36.948606
"949080"	365.196994	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-H+HCOOH"	44.998194
"368391"	685.395801	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+HCOOH-H"	44.998201
"350813"	699.411451	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+Hac-H"	59.013851
"1504390"	379.212651	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Hac-H"	59.013851
"965366"	387.178951	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-H+NaCOOH"	66.980151
"121567"	355.168202	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+2Cl"	69.938804
"557116"	515.267602	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+2Cl"	69.938804
"1032479"	195.068802	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2Cl"	69.938804
"1246589"	399.117685	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Br"	78.918885
"1313410"	401.173672	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Cl+HCOOH"	80.974872
"1329813"	423.155629	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Cl+NaCOOH"	102.956829
"918685"	433.184386	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M-H+CF3COOH"	112.985586
"1296487"	469.161064	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Cl+CF3COOH"	148.962264
"1380120"	285.186124	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H-2H2O"	-35.012676
"1396527"	303.1961	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H-H2O"	-17.0027
"295119"	641.404876	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+H"	1.007276
"691372"	961.603676	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+H"	1.007276
"1366987"	321.206076	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H"	1.007276
"141363"	321.206076	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+2H"	2.014552
"579630"	481.305476	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+2H"	2.014552
"1049524"	161.106676	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2H"	2.014552
"215237"	214.473142666667	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+3H"	3.021828
"655892"	321.206076	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+3H"	3.021828
"1170738"	107.740209333333	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+3H"	3.021828
"431093"	658.431423	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+NH4"	18.033823
"792818"	978.630223	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+NH4"	18.033823
"1686962"	338.232623	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+NH4"	18.033823
"342530"	329.7193495	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+H+NH4"	19.041099
"733130"	489.8187495	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+H+NH4"	19.041099
"1485853"	169.6199495	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H+NH4"	19.041099
"402347"	663.386818	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+Na"	22.989218
"767715"	983.585618	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+Na"	22.989218
"1613626"	343.188018	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Na"	22.989218
"326945"	332.197047	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+H+Na"	23.996494
"720459"	492.296447	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+H+Na"	23.996494
"1474281"	172.097647	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H+Na"	23.996494
"1064244"	115.067523333333	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2H+Na"	25.00377
"1268109"	353.232286	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+CH3OH+H"	33.033486
"391670"	679.360758	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+K"	38.963158
"752785"	999.559558	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+K"	38.963158
"1553748"	359.161958	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+K"	38.963158
"312378"	340.184017	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+H+K"	39.970434
"703349"	500.283417	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+H+K"	39.970434
"1456076"	180.084617	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H+K"	39.970434
"241761"	682.431426	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+ACN+H"	42.033826
"1219937"	362.232626	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+ACN+H"	42.033826
"1207103"	181.619951	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+ACN+2H"	43.041102
"202045"	685.36876	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+2Na-H"	44.97116
"642695"	1005.56756	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+2Na-H"	44.97116
"1145719"	365.16996	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2Na-H"	44.97116
"185966"	343.188018	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+2Na"	45.978436
"625890"	503.287418	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+2Na"	45.978436
"1131226"	183.088618	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2Na"	45.978436
"1412560"	122.394837333333	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H+2Na"	46.985712
"1445043"	367.211546	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H+HCOOH"	47.012746
"234371"	348.22104	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+3H2O+2H"	56.04448
"1519514"	381.26359	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+IsoProp+H"	61.06479
"421022"	351.174988	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+Na+K"	61.952376
"782749"	511.274388	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+Na+K"	61.952376
"1678716"	191.075588	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Na+K"	61.952376
"264876"	704.413368	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+ACN+Na"	64.015768
"1241111"	384.214568	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+ACN+Na"	64.015768
"1728382"	384.238093	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+NH4+HCOOH"	64.039293
"1193939"	129.722151333333	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+3Na"	68.967654
"1663177"	389.193488	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Na+HCOOH"	68.994688
"171132"	717.31664	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+2K-H"	76.91904
"609598"	1037.51544	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+2K-H"	76.91904
"1098973"	397.11784	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2K-H"	76.91904
"154212"	359.161958	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"2M+2K"	77.926316
"589393"	519.261358	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"3M+2K"	77.926316
"1080467"	199.062558	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2K"	77.926316
"1114285"	399.132392	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2K+H"	78.933592
"1348968"	399.220007	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+DMSO+H"	79.021207
"1013124"	403.259176	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2ACN+H"	83.060376
"1532343"	404.252808	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+IsoProp+Na+H"	84.054008
"1002072"	202.133226	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+2ACN+2H"	84.067652
"1596576"	405.167428	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+K+HCOOH"	84.968628
"1423329"	435.198938	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+H+CF3COOH"	115.000138
"1157989"	222.646501	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+3ACN+2H"	125.094202
"1703169"	452.225485	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+NH4+CF3COOH"	132.026685
"1637727"	457.18088	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+Na+CF3COOH"	136.98208
"1577751"	473.15482	"C09685"	"10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane"	"C19H28O4"	"320.1988"	"M+K+CF3COOH"	152.95602
"810309"	234.162	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M"	0
"977280"	215.14361	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"67715"	155.100724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"512740"	233.154724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"890547"	77.046724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"5839"	233.154724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"446493"	350.235724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"827576"	116.073724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"87571"	467.316724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"530045"	701.478724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"907848"	233.154724	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"54933"	484.343271	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"492306"	718.505271	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"866829"	250.181271	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"34730"	489.298666	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"473196"	723.460666	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"858654"	255.136666	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1623815"	255.136666	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"106909"	251.143063	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"547200"	368.224063	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"936706"	134.062063	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"278544"	503.293402	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"669870"	737.455402	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1282277"	269.131402	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"27020"	505.272606	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"466945"	739.434606	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"841102"	271.110606	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1560216"	271.110606	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"947005"	279.160194	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"368501"	513.322201	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"354570"	527.337851	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1504500"	293.175851	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"965476"	301.142151	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"121677"	269.131402	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"557226"	386.212402	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1033318"	152.050402	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1247063"	313.080885	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1311332"	315.136872	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1324818"	337.118829	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"922076"	347.147586	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1291857"	383.124264	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1378043"	199.149324	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1397367"	217.1593	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"294135"	469.331276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"690978"	703.493276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1366884"	235.169276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H"	1.007276
"141032"	235.169276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"576460"	352.250276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1046354"	118.088276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"209881"	157.115276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"653815"	235.169276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1170847"	79.061276	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"427559"	486.357823	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"786729"	720.519823	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1684153"	252.195823	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"343005"	243.6825495	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"731052"	360.7635495	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1482683"	126.6015495	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"400272"	491.313218	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"764545"	725.475218	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1611550"	257.151218	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"320494"	246.160247	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"716197"	363.241247	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1473296"	129.079247	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1065450"	86.38859	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1268219"	267.195486	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"390079"	507.287158	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"751802"	741.449158	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1554705"	273.125158	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+K"	38.963158
"312854"	254.147217	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"705286"	371.228217	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1458011"	137.066217	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"246611"	510.357826	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1220048"	276.195826	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1205025"	138.601551	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"200816"	513.29516	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"642080"	747.45716	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1145465"	279.13316	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"186443"	257.151218	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"626002"	374.232218	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1129509"	140.070218	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1413036"	93.715904	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1445027"	281.174746	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"234843"	262.18424	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1520718"	295.22679	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"418217"	265.138188	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"785377"	382.219188	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1680973"	148.057188	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"263164"	532.339768	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1239883"	298.177768	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1727314"	298.201293	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1193395"	101.043218	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1664380"	303.156688	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"166868"	545.24304	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"609709"	779.40504	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1097873"	311.08104	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"154324"	273.125158	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"594972"	390.206158	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1080578"	156.044158	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1112694"	313.095592	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1347985"	313.183207	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1011047"	317.222376	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1530265"	318.216008	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"998901"	159.114826	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1596684"	319.130628	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1429030"	349.162138	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1159193"	179.628101	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1703278"	366.188685	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1641116"	371.14408	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1574581"	387.11802	"C09686"	"Hydroxyisopatchoulenone"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"812606"	248.1412	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M"	0
"982858"	229.12281	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"77430"	164.420190666667	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"512856"	247.133924	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"888470"	81.7064573333333	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"9234"	247.133924	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"449886"	371.204524	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"820035"	123.063324	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"89868"	495.275124	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"530523"	743.416324	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"907961"	247.133924	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"55043"	512.301671	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"495698"	760.442871	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"872407"	264.160471	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"41400"	517.257066	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"481692"	765.398266	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"861683"	269.115866	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1630489"	269.115866	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"108477"	265.122263	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"548526"	389.192863	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"940099"	141.051663	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"279749"	531.251802	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"673753"	779.393002	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1286156"	283.110602	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"26767"	533.231006	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"468880"	781.372206	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"845589"	285.089806	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1564701"	285.089806	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"954043"	293.139394	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"373351"	541.280601	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"356870"	555.296251	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1507287"	307.155051	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"969968"	315.121351	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"119968"	283.110602	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"555154"	407.181202	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1026141"	159.040002	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1247904"	327.060085	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1313631"	329.116072	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1328941"	351.098029	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"923279"	361.126786	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1294154"	397.103464	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1380340"	213.128524	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1396629"	231.1385	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"298014"	497.289676	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"690809"	745.430876	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1366549"	249.148476	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"140536"	249.148476	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"572197"	373.219076	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1045370"	125.077876	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"211085"	166.434742666667	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"647000"	249.148476	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1166584"	83.7210093333333	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"428764"	514.316223	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"793039"	762.457423	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1686089"	266.175023	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"337646"	257.6617495	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"732255"	381.7323495	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1484980"	133.5911495	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"402569"	519.271618	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"761375"	767.412818	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1608381"	271.130418	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"320604"	260.139447	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"716304"	384.210047	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1471219"	136.068847	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1066653"	91.0483233333333	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1271611"	281.174686	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"388001"	535.245558	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"750089"	783.386758	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1553236"	287.104358	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"309319"	268.126417	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"704301"	392.197017	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1457392"	144.055817	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"250495"	538.316226	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1220159"	290.175026	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1206595"	145.591151	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"200195"	541.25356	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"643165"	789.39476	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1146550"	293.11236	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"188257"	271.130418	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"627089"	395.201018	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1129863"	147.059818	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1413633"	98.3756373333333	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1445144"	295.153946	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"235657"	276.16344	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1523867"	309.20599	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"422701"	279.117388	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"785407"	403.187988	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1680762"	155.046788	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"264004"	560.298168	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1239998"	312.156968	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1725240"	312.180493	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1190961"	105.702951333333	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1662308"	317.135888	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"169171"	573.20144	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"609464"	821.34264	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1094705"	325.06024	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"151156"	287.104358	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"591079"	411.174958	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1079235"	163.033758	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1109893"	327.074792	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1345912"	327.162407	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1017723"	331.201576	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1537305"	332.195208	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"1003024"	166.104426	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1600444"	333.109828	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1427562"	363.141338	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1158210"	186.617701	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1709950"	380.167885	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1645601"	385.12328	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1577971"	401.09722	"C09687"	"Illudin M"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"802266"	264.1362	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M"	0
"978593"	245.11781	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"77414"	175.083524	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"517946"	263.128924	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"893684"	87.038124	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"13717"	263.128924	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"453642"	395.197024	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"831082"	131.060824	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"91802"	527.265124	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"530996"	791.401324	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"908796"	263.128924	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"56246"	544.291671	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"496901"	808.427871	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"874704"	280.155471	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"41510"	549.247066	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"482166"	813.383266	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"861062"	285.110866	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1632057"	285.110866	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"108587"	281.117263	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"548148"	413.185363	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"941426"	149.049163	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"281441"	563.241802	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"674595"	827.378002	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1287486"	299.105602	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"29915"	565.221006	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"468990"	829.357206	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"846428"	301.084806	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1568091"	301.084806	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"955611"	309.134394	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"375284"	573.270601	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"357707"	587.286251	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1507640"	323.150051	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"973236"	331.116351	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"120807"	299.105602	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"562553"	431.173702	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1028438"	167.037502	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1251296"	343.055085	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1314834"	345.111072	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1331237"	367.093029	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"922296"	377.121786	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1297909"	413.098464	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1380450"	229.123524	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1396860"	247.1335	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"297517"	529.279676	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"688978"	793.415876	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1364232"	265.143476	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"140035"	265.143476	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"573402"	397.211576	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1044388"	133.075376	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"210104"	177.098076	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"646746"	265.143476	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1165601"	89.052676	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"428509"	546.306223	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"789870"	810.442423	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1684375"	282.170023	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"333016"	273.6567495	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"727260"	405.7248495	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1485090"	141.5886495	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"400492"	551.261618	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"763673"	815.397818	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1611771"	287.125418	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"322903"	276.134447	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"716418"	408.202547	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1472426"	144.066347	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1065669"	96.37999	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1271357"	297.169686	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"389935"	567.235558	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"752022"	831.371758	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1553348"	303.099358	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"311253"	284.121417	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"704776"	416.189517	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1457867"	152.053317	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"249996"	570.306226	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1223189"	306.170026	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1207435"	153.588651	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"202861"	573.24356	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"643923"	837.37976	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1146779"	309.10736	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"188292"	287.125418	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"628016"	419.193518	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1129731"	155.057318	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1413743"	103.707304	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1445134"	311.148946	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"235614"	292.15844	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1523449"	325.20099	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"422812"	295.112388	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"784543"	427.180488	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1680508"	163.044288	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"264118"	592.288168	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1240111"	328.151968	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1726081"	328.175493	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1191070"	111.034618	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1661691"	333.130888	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"169282"	605.19144	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"608479"	869.32764	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1094085"	341.05524	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"151266"	303.099358	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"591917"	435.167458	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1080075"	171.031258	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1112917"	343.069792	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1347114"	343.157407	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1019653"	347.196576	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1537049"	348.190208	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1004589"	174.101926	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1600918"	349.104828	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1428766"	379.136338	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1159413"	194.615201	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1708966"	396.162885	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1643524"	401.11828	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1574801"	417.09222	"C09688"	"Illudin S"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"816473"	250.1569	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M"	0
"989906"	231.13851	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"77526"	165.763990666667	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"517812"	249.149624	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"894969"	82.3783573333333	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"9453"	249.149624	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"455458"	374.228074	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"832285"	124.071174	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"91912"	499.306524	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"530741"	749.463424	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"905991"	249.149624	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"55260"	516.333071	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"495914"	766.489971	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"875177"	266.176171	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"43808"	521.288466	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"483369"	771.445366	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"864087"	271.131566	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1632527"	271.131566	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"109878"	267.137963	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"548257"	392.216413	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"942350"	142.059513	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"282363"	535.283202	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"675393"	785.440102	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1288248"	285.126302	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"29538"	537.262406	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"468003"	787.419306	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"843256"	287.105506	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1569663"	287.105506	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"958417"	295.155094	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"371017"	545.312001	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"359278"	559.327651	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1507511"	309.170751	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"973592"	317.137051	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"118730"	285.126302	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"557563"	410.204752	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1030735"	160.047852	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1253594"	329.075785	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1306199"	331.131772	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1326976"	353.113729	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"919127"	363.142486	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1301671"	399.119164	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1381657"	215.144224	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1395877"	233.1542	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"298121"	501.321076	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"691220"	751.477976	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1365436"	251.164176	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"139781"	251.164176	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"577884"	376.242626	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1042314"	126.085726	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"210213"	167.778542666667	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"646489"	251.164176	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1166437"	84.3929093333333	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"428618"	518.347623	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"791072"	768.504523	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1685218"	268.190723	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"334951"	259.6774495	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"727369"	384.7558995	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1480100"	134.5989995	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"398417"	523.303018	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"757225"	773.459918	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1606417"	273.146118	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"321920"	262.155147	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"717622"	387.233597	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1472535"	137.076697	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1066146"	91.7202233333333	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1271835"	283.190386	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"392598"	539.276958	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"752135"	789.433858	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1553824"	289.120058	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"312822"	270.142117	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"705250"	395.220567	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1460773"	145.063667	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"249495"	542.347626	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1224150"	292.190726	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1208882"	146.599001	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"203701"	545.28496	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"644138"	795.44186	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1146962"	295.12806	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"188471"	273.146118	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"628127"	398.224568	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1130940"	148.067668	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1413658"	99.0475373333333	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1445121"	297.169646	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"235559"	278.17914	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1523966"	311.22169	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"422922"	281.133088	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"785343"	406.211538	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1680621"	156.054638	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"266537"	564.329568	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1239371"	314.172668	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1727857"	314.196193	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1193246"	106.374851333333	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1663625"	319.151588	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"171215"	577.23284	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"609319"	827.38974	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1094559"	327.07594	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"153563"	289.120058	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"592393"	414.198508	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1080186"	164.041608	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1113762"	329.090492	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1347593"	329.178107	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1018670"	333.217276	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1536067"	334.210908	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"1003244"	167.112276	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1601151"	335.125528	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1429117"	365.157038	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1160618"	187.625551	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1710171"	382.183585	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1641448"	387.13898	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1574913"	403.11292	"C09689"	"Ipomeamarone;()-Ngaione"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"810749"	206.1671	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M"	0
"983188"	187.14871	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-H2O-H"	-19.01839
"77274"	136.437457333333	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M-3H"	-3.021828
"516463"	205.159824	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M-3H"	-3.021828
"894269"	67.7150906666667	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-3H"	-3.021828
"6283"	205.159824	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H"	-2.014552
"454472"	308.243374	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H"	-2.014552
"831300"	102.076274	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H"	-2.014552
"90926"	411.326924	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M-H"	-1.007276
"530487"	617.494024	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M-H"	-1.007276
"907195"	205.159824	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-H"	-1.007276
"56101"	428.353471	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H+NH4"	16.019271
"494931"	634.520571	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H+NH4"	16.019271
"872371"	222.186371	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H+NH4"	16.019271
"41729"	433.308866	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H+Na"	20.974666
"482386"	639.475966	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H+Na"	20.974666
"863104"	227.141766	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H+Na"	20.974666
"1629720"	227.141766	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na-2H"	20.974666
"109902"	223.148163	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M-H+Cl"	33.962126
"549218"	326.231713	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M-H+Cl"	33.962126
"942626"	120.064613	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+Cl"	33.962126
"282514"	447.303602	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Cl"	34.969402
"675467"	653.470702	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+Cl"	34.969402
"1288389"	241.136502	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl"	34.969402
"30014"	449.282806	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H+K"	36.948606
"467386"	655.449906	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H+K"	36.948606
"846282"	243.115706	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H+K"	36.948606
"1569044"	243.115706	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+K-2H"	36.948606
"955831"	251.165294	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+HCOOH"	44.998194
"373681"	457.332401	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+HCOOH-H"	44.998201
"360850"	471.348051	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Hac-H"	59.013851
"1508109"	265.180951	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Hac-H"	59.013851
"973822"	273.147251	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+NaCOOH"	66.980151
"123941"	241.136502	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2Cl"	69.938804
"558762"	344.220052	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2Cl"	69.938804
"1031937"	138.052952	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2Cl"	69.938804
"1253702"	285.085985	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Br"	78.918885
"1317973"	287.141972	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl+HCOOH"	80.974872
"1325990"	309.123929	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl+NaCOOH"	102.956829
"913770"	319.152686	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+CF3COOH"	112.985586
"1299226"	355.129364	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl+CF3COOH"	148.962264
"1380306"	171.154424	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H-2H2O"	-35.012676
"1397810"	189.1644	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H-H2O"	-17.0027
"298269"	413.341476	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H"	1.007276
"689562"	619.508576	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H"	1.007276
"1366397"	207.174376	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H"	1.007276
"138801"	207.174376	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2H"	2.014552
"577633"	310.257926	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2H"	2.014552
"1039505"	104.090826	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2H"	2.014552
"208137"	138.452009333333	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+3H"	3.021828
"646964"	207.174376	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+3H"	3.021828
"1163997"	69.7296426666667	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+3H"	3.021828
"425448"	430.368023	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+NH4"	18.033823
"787902"	636.535123	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+NH4"	18.033823
"1684231"	224.200923	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+NH4"	18.033823
"332508"	215.6876495	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H+NH4"	19.041099
"726751"	318.7711995	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H+NH4"	19.041099
"1483127"	112.6040995	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+NH4"	19.041099
"396339"	435.323418	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Na"	22.989218
"755148"	641.490518	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+Na"	22.989218
"1608711"	229.156318	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na"	22.989218
"322028"	218.165347	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H+Na"	23.996494
"718823"	321.248897	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H+Na"	23.996494
"1469364"	115.081797	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+Na"	23.996494
"1064795"	77.0569566666667	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2H+Na"	25.00377
"1270847"	239.200586	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+CH3OH+H"	33.033486
"391978"	451.297358	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+K"	38.963158
"752975"	657.464458	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+K"	38.963158
"1553570"	245.130258	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+K"	38.963158
"312931"	226.152317	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H+K"	39.970434
"706090"	329.235867	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H+K"	39.970434
"1461213"	123.068767	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+K"	39.970434
"250581"	454.368026	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+ACN+H"	42.033826
"1224868"	248.200926	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+ACN+H"	42.033826
"1209562"	124.604101	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+ACN+2H"	43.041102
"204235"	457.30536	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2Na-H"	44.97116
"643983"	663.47246	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2Na-H"	44.97116
"1146833"	251.13826	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2Na-H"	44.97116
"188463"	229.156318	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2Na"	45.978436
"628115"	332.239868	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2Na"	45.978436
"1131174"	126.072768	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2Na"	45.978436
"1414052"	84.3842706666667	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+2Na"	46.985712
"1445517"	253.179846	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+HCOOH"	47.012746
"235288"	234.18934	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+3H2O+2H"	56.04448
"1524064"	267.23189	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+IsoProp+H"	61.06479
"420846"	237.143288	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Na+K"	61.952376
"784760"	340.226838	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+Na+K"	61.952376
"1680240"	134.059738	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na+K"	61.952376
"266280"	476.349968	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+ACN+Na"	64.015768
"1241022"	270.182868	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+ACN+Na"	64.015768
"1728207"	270.206393	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+NH4+HCOOH"	64.039293
"1194045"	91.7115846666667	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+3Na"	68.967654
"1663006"	275.161788	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na+HCOOH"	68.994688
"170597"	489.25324	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2K-H"	76.91904
"609063"	695.42034	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2K-H"	76.91904
"1095395"	283.08614	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2K-H"	76.91904
"152578"	245.130258	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2K"	77.926316
"589952"	348.213808	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2K"	77.926316
"1081755"	142.046708	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2K"	77.926316
"1114842"	285.100692	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2K+H"	78.933592
"1346974"	285.188307	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+DMSO+H"	79.021207
"1018420"	289.227476	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2ACN+H"	83.060376
"1537638"	290.221108	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+IsoProp+Na+H"	84.054008
"1001532"	145.117376	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+2ACN+2H"	84.067652
"1601138"	291.135728	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+K+HCOOH"	84.968628
"1429348"	321.167238	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+CF3COOH"	115.000138
"1161822"	165.630651	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+3ACN+2H"	125.094202
"1709188"	338.193785	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+NH4+CF3COOH"	132.026685
"1642652"	343.14918	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na+CF3COOH"	136.98208
"1575023"	359.12312	"C09690"	"alpha-Irone;()-cis-alpha-Irone"	"C14H22O"	"206.1671"	"M+K+CF3COOH"	152.95602
"815965"	204.1878	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M"	0
"986215"	185.16941	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"77506"	135.117924	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516820"	203.180524	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"894014"	67.055324	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14904"	203.180524	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454461"	305.274424	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"831171"	101.086624	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91769"	407.368324	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"531693"	611.556124	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909128"	203.180524	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"60587"	424.394871	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499053"	628.582671	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874303"	220.207071	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44391"	429.350266	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"483589"	633.538066	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"862485"	225.162466	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1629830"	225.162466	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"109614"	221.168863	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"549413"	323.262763	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"942446"	119.074963	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"280432"	443.345002	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"666050"	647.532802	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1283920"	239.157202	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"26478"	445.324206	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"462755"	649.512006	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"844930"	241.136406	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1567325"	241.136406	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957030"	249.185994	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"370141"	453.373801	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357306"	467.389451	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1502859"	263.201651	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"969673"	271.167951	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"116030"	239.157202	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"559966"	341.251102	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1033502"	137.063302	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252354"	283.106685	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317351"	285.162672	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1327196"	307.144629	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"918254"	317.173386	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1301887"	353.150064	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1379685"	169.175124	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1396821"	187.1851	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"293588"	409.382876	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"689290"	613.570676	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1365657"	205.195076	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H"	1.007276
"138546"	205.195076	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"576648"	307.288976	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1038889"	103.101176	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"207155"	137.132476	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"646710"	205.195076	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164106"	69.069876	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"424828"	426.409423	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"788012"	630.597223	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684706"	222.221623	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"332620"	213.7083495	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"727229"	315.8022495	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1481049"	111.6144495	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"398635"	431.364818	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"757444"	635.552618	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609916"	227.177018	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"323230"	216.186047	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"717840"	318.279947	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1471661"	114.092147	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1066608"	76.39719	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268770"	237.221286	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"390271"	447.338758	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"750530"	651.526558	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1554653"	243.150958	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+K"	38.963158
"312555"	224.173017	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"702190"	326.266917	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1457103"	122.079117	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246799"	450.409426	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1219506"	246.221626	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209594"	123.614451	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203564"	453.34676	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"644051"	657.53456	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146386"	249.15896	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187970"	227.177018	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"628020"	329.270918	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130798"	125.083118	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413586"	83.724504	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443506"	251.200546	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"233934"	232.21004	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1516888"	265.25259	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"423390"	235.163988	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"784996"	337.257888	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1680229"	133.070088	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"265186"	472.391368	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1240565"	268.203568	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1727633"	268.227093	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1193714"	91.051818	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1664210"	273.182488	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"170707"	485.29464	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"607352"	689.48244	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097331"	281.10684	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151960"	243.150958	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"591886"	345.244858	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1077855"	141.057058	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1112160"	283.121392	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347084"	283.209007	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017801"	287.248176	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539451"	288.241808	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004561"	144.127726	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1602227"	289.156428	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1429344"	319.187938	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1161571"	164.641001	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1712541"	336.214485	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1644948"	341.16988	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575133"	357.14382	"C09691"	"Isocaryophyllene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"805501"	232.1463	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M"	0
"979033"	213.12791	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"77977"	153.756924	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"515592"	231.139024	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"895517"	76.374824	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"15542"	231.139024	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"455065"	347.212174	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"832378"	115.065874	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"92973"	463.285324	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"530708"	695.431624	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"906686"	231.139024	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"61061"	480.311871	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"498434"	712.458171	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"875141"	248.165571	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"41950"	485.267266	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"484065"	717.413566	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"862231"	253.120966	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1628847"	253.120966	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"108916"	249.127363	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"548712"	365.200513	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"942235"	133.054213	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"279205"	499.262002	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"673571"	731.408302	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1286219"	267.115702	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"21120"	501.241206	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"461773"	733.387506	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"841761"	269.094906	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1563062"	269.094906	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"950945"	277.144494	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"369157"	509.290801	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"355230"	523.306451	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1500783"	291.160151	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"967232"	299.126451	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"120150"	267.115702	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"563356"	383.188852	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1034342"	151.042552	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1256475"	311.065185	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1317462"	313.121172	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1331679"	335.103129	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"921644"	345.131886	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1303738"	381.108564	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1379795"	197.133624	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1397295"	215.1436	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"286043"	465.299876	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"688307"	697.446176	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1366377"	233.153576	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"140476"	233.153576	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"577121"	349.226726	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1042644"	117.080426	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"207629"	155.771476	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"647187"	233.153576	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1164217"	78.389376	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"428218"	482.326423	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"790671"	714.472723	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1687366"	250.180123	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"333823"	241.6668495	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"730617"	357.7399995	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1484440"	125.5936995	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"400931"	487.281818	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"757554"	719.428118	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1611119"	255.135518	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"323341"	244.144547	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"717950"	360.217697	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1472864"	128.071397	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1066960"	85.71669	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1268880"	265.179786	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"391597"	503.255758	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"753435"	735.402058	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1554155"	271.109458	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"312060"	252.131517	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"700112"	368.204667	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1450652"	136.058367	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"243628"	506.326426	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1219617"	274.180126	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1208971"	137.593701	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"202821"	509.26376	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"643475"	741.41006	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1146737"	277.11746	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"186495"	255.135518	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"626295"	371.208668	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1127973"	139.062368	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1409310"	93.044004	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1442157"	279.159046	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"231854"	260.16854	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1516997"	293.21109	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"423634"	263.122488	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"784986"	379.195638	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1679368"	147.049338	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"266022"	528.308368	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1240189"	296.162068	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1727861"	296.185593	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1193702"	100.371318	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1662498"	301.140988	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"170453"	541.21164	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"608554"	773.35794	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1096347"	309.06534	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"153162"	271.109458	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"590173"	387.182608	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1080151"	155.036308	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1110810"	311.079892	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1348287"	311.167507	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1019005"	315.206676	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1536404"	316.200308	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"1003578"	158.106976	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1602669"	317.114928	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1429793"	347.146438	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1161318"	178.620251	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1712082"	364.172985	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1647245"	369.12838	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1575243"	385.10232	"C09692"	"Isovelleral"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"805611"	266.1882	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M"	0
"979143"	247.16981	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-H2O-H"	-19.01839
"77964"	176.451524	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M-3H"	-3.021828
"515337"	265.180924	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M-3H"	-3.021828
"894234"	87.722124	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-3H"	-3.021828
"14957"	265.180924	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M-2H"	-2.014552
"454558"	398.275024	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M-2H"	-2.014552
"832485"	132.086824	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-2H"	-2.014552
"94179"	531.369124	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M-H"	-1.007276
"530088"	797.557324	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M-H"	-1.007276
"906796"	265.180924	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-H"	-1.007276
"59715"	548.395671	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M-2H+NH4"	16.019271
"497816"	814.583871	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M-2H+NH4"	16.019271
"875617"	282.207471	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-2H+NH4"	16.019271
"37685"	553.351066	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M-2H+Na"	20.974666
"479432"	819.539266	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M-2H+Na"	20.974666
"857236"	287.162866	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-2H+Na"	20.974666
"1624582"	287.162866	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Na-2H"	20.974666
"105488"	283.169263	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M-H+Cl"	33.962126
"549469"	416.263363	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M-H+Cl"	33.962126
"941983"	150.075163	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-H+Cl"	33.962126
"281992"	567.345802	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+Cl"	34.969402
"673560"	833.534002	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+Cl"	34.969402
"1287423"	301.157602	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Cl"	34.969402
"21230"	569.325006	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M-2H+K"	36.948606
"461883"	835.513206	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M-2H+K"	36.948606
"840777"	303.136806	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-2H+K"	36.948606
"1564265"	303.136806	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+K-2H"	36.948606
"953241"	311.186394	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-H+HCOOH"	44.998194
"365988"	577.374601	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+HCOOH-H"	44.998201
"356433"	591.390251	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+Hac-H"	59.013851
"1501986"	325.202051	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Hac-H"	59.013851
"969528"	333.168351	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-H+NaCOOH"	66.980151
"118437"	301.157602	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+2Cl"	69.938804
"560185"	434.251702	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+2Cl"	69.938804
"1032630"	168.063502	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2Cl"	69.938804
"1256585"	345.107085	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Br"	78.918885
"1315386"	347.163072	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Cl+HCOOH"	80.974872
"1325228"	369.145029	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Cl+NaCOOH"	102.956829
"919568"	379.173786	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M-H+CF3COOH"	112.985586
"1301742"	415.150464	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Cl+CF3COOH"	148.962264
"1372251"	231.175524	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H-2H2O"	-35.012676
"1397404"	249.1855	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H-H2O"	-17.0027
"286153"	533.383676	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+H"	1.007276
"684042"	799.571876	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+H"	1.007276
"1366599"	267.195476	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H"	1.007276
"139855"	267.195476	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+2H"	2.014552
"580510"	400.289576	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+2H"	2.014552
"1041658"	134.101376	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2H"	2.014552
"207375"	178.466076	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+3H"	3.021828
"648026"	267.195476	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+3H"	3.021828
"1163719"	89.736676	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+3H"	3.021828
"428328"	550.410223	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+NH4"	18.033823
"790052"	816.598423	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+NH4"	18.033823
"1686018"	284.222023	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+NH4"	18.033823
"332474"	275.7087495	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+H+NH4"	19.041099
"729635"	408.8028495	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+H+NH4"	19.041099
"1481271"	142.6146495	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H+NH4"	19.041099
"397761"	555.365618	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+Na"	22.989218
"758757"	821.553818	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+Na"	22.989218
"1611229"	289.177418	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Na"	22.989218
"324544"	278.186447	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+H+Na"	23.996494
"716967"	411.280547	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+H+Na"	23.996494
"1472974"	145.092347	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H+Na"	23.996494
"1067191"	97.06399	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2H+Na"	25.00377
"1270083"	299.221686	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+CH3OH+H"	33.033486
"392192"	571.339558	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+K"	38.963158
"753302"	837.527758	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+K"	38.963158
"1554267"	305.151358	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+K"	38.963158
"312536"	286.173417	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+H+K"	39.970434
"700222"	419.267517	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+H+K"	39.970434
"1452949"	153.079317	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H+K"	39.970434
"243739"	574.410226	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+ACN+H"	42.033826
"1218634"	308.222026	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+ACN+H"	42.033826
"1209447"	154.614651	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+ACN+2H"	43.041102
"203537"	577.34756	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+2Na-H"	44.97116
"643341"	843.53576	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+2Na-H"	44.97116
"1146361"	311.15936	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2Na-H"	44.97116
"187454"	289.177418	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+2Na"	45.978436
"626403"	422.271518	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+2Na"	45.978436
"1126990"	156.083318	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2Na"	45.978436
"1410513"	104.391304	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H+2Na"	46.985712
"1442631"	313.200946	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H+HCOOH"	47.012746
"233420"	294.21044	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+3H2O+2H"	56.04448
"1517107"	327.25299	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+IsoProp+H"	61.06479
"418980"	297.164388	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+Na+K"	61.952376
"784743"	430.258488	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+Na+K"	61.952376
"1680816"	164.070288	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Na+K"	61.952376
"266254"	596.392168	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+ACN+Na"	64.015768
"1240174"	330.203968	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+ACN+Na"	64.015768
"1727243"	330.227493	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+NH4+HCOOH"	64.039293
"1193445"	111.718618	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+3Na"	68.967654
"1663337"	335.182888	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Na+HCOOH"	68.994688
"169470"	609.29544	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+2K-H"	76.91904
"607936"	875.48364	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+2K-H"	76.91904
"1097185"	343.10724	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2K-H"	76.91904
"154001"	305.151358	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"2M+2K"	77.926316
"588096"	438.245458	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"3M+2K"	77.926316
"1076981"	172.057258	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2K"	77.926316
"1110191"	345.121792	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2K+H"	78.933592
"1347304"	345.209407	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+DMSO+H"	79.021207
"1018385"	349.248576	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2ACN+H"	83.060376
"1538334"	350.242208	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+IsoProp+Na+H"	84.054008
"1003687"	175.127926	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+2ACN+2H"	84.067652
"1602569"	351.156828	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+K+HCOOH"	84.968628
"1429077"	381.188338	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+H+CF3COOH"	115.000138
"1161063"	195.641201	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+3ACN+2H"	125.094202
"1711341"	398.214885	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+NH4+CF3COOH"	132.026685
"1642981"	403.17028	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+Na+CF3COOH"	136.98208
"1575353"	419.14422	"C09693"	"Juvabione"	"C16H26O3"	"266.1882"	"M+K+CF3COOH"	152.95602
"802683"	266.1882	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M"	0
"979253"	247.16981	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-H2O-H"	-19.01839
"78074"	176.451524	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M-3H"	-3.021828
"515811"	265.180924	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M-3H"	-3.021828
"893615"	87.722124	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-3H"	-3.021828
"15107"	265.180924	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M-2H"	-2.014552
"454668"	398.275024	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M-2H"	-2.014552
"832597"	132.086824	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-2H"	-2.014552
"94047"	531.369124	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M-H"	-1.007276
"529834"	797.557324	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M-H"	-1.007276
"906906"	265.180924	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-H"	-1.007276
"60189"	548.395671	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M-2H+NH4"	16.019271
"499019"	814.583871	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M-2H+NH4"	16.019271
"876455"	282.207471	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-2H+NH4"	16.019271
"38888"	553.351066	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M-2H+Na"	20.974666
"478449"	819.539266	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M-2H+Na"	20.974666
"857346"	287.162866	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-2H+Na"	20.974666
"1624692"	287.162866	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Na-2H"	20.974666
"107421"	283.169263	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M-H+Cl"	33.962126
"548442"	416.263363	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M-H+Cl"	33.962126
"941717"	150.075163	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-H+Cl"	33.962126
"282739"	567.345802	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+Cl"	34.969402
"672940"	833.534002	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+Cl"	34.969402
"1287897"	301.157602	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Cl"	34.969402
"26807"	569.325006	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M-2H+K"	36.948606
"463086"	835.513206	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M-2H+K"	36.948606
"836513"	303.136806	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-2H+K"	36.948606
"1562188"	303.136806	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+K-2H"	36.948606
"950070"	311.186394	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-H+HCOOH"	44.998194
"370472"	577.374601	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+HCOOH-H"	44.998201
"357636"	591.390251	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+Hac-H"	59.013851
"1501001"	325.202051	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Hac-H"	59.013851
"969638"	333.168351	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-H+NaCOOH"	66.980151
"120734"	301.157602	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+2Cl"	69.938804
"560295"	434.251702	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+2Cl"	69.938804
"1033468"	168.063502	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2Cl"	69.938804
"1255602"	345.107085	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Br"	78.918885
"1315496"	347.163072	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Cl+HCOOH"	80.974872
"1326432"	369.145029	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Cl+NaCOOH"	102.956829
"918585"	379.173786	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M-H+CF3COOH"	112.985586
"1300759"	415.150464	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Cl+CF3COOH"	148.962264
"1372361"	231.175524	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H-2H2O"	-35.012676
"1392046"	249.1855	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H-H2O"	-17.0027
"287356"	533.383676	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+H"	1.007276
"681965"	799.571876	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+H"	1.007276
"1362689"	267.195476	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H"	1.007276
"139601"	267.195476	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+2H"	2.014552
"578433"	400.289576	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+2H"	2.014552
"1040673"	134.101376	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2H"	2.014552
"207117"	178.466076	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+3H"	3.021828
"645946"	267.195476	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+3H"	3.021828
"1165531"	89.736676	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+3H"	3.021828
"430260"	550.410223	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+NH4"	18.033823
"791255"	816.598423	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+NH4"	18.033823
"1682846"	284.222023	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+NH4"	18.033823
"331126"	275.7087495	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+H+NH4"	19.041099
"725364"	408.8028495	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+H+NH4"	19.041099
"1478460"	142.6146495	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H+NH4"	19.041099
"394954"	555.365618	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+Na"	22.989218
"756680"	821.553818	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+Na"	22.989218
"1606965"	289.177418	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Na"	22.989218
"321374"	278.186447	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+H+Na"	23.996494
"713795"	411.280547	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+H+Na"	23.996494
"1473084"	145.092347	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H+Na"	23.996494
"1065966"	97.06399	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2H+Na"	25.00377
"1269100"	299.221686	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+CH3OH+H"	33.033486
"391688"	571.339558	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+K"	38.963158
"753048"	837.527758	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+K"	38.963158
"1554741"	305.151358	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+K"	38.963158
"312277"	286.173417	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+H+K"	39.970434
"695958"	419.267517	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+H+K"	39.970434
"1450870"	153.079317	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H+K"	39.970434
"239474"	574.410226	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+ACN+H"	42.033826
"1218744"	308.222026	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+ACN+H"	42.033826
"1209352"	154.614651	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+ACN+2H"	43.041102
"204008"	577.34756	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+2Na-H"	44.97116
"644010"	843.53576	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+2Na-H"	44.97116
"1146219"	311.15936	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2Na-H"	44.97116
"187929"	289.177418	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+2Na"	45.978436
"626513"	422.271518	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+2Na"	45.978436
"1123820"	156.083318	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2Na"	45.978436
"1404063"	104.391304	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H+2Na"	46.985712
"1432897"	313.200946	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H+HCOOH"	47.012746
"224048"	294.21044	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+3H2O+2H"	56.04448
"1517217"	327.25299	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+IsoProp+H"	61.06479
"417997"	297.164388	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+Na+K"	61.952376
"785334"	430.258488	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+Na+K"	61.952376
"1680803"	164.070288	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Na+K"	61.952376
"265634"	596.392168	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+ACN+Na"	64.015768
"1239920"	330.203968	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+ACN+Na"	64.015768
"1727961"	330.227493	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+NH4+HCOOH"	64.039293
"1193190"	111.718618	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+3Na"	68.967654
"1662717"	335.182888	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Na+HCOOH"	68.994688
"169579"	609.29544	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+2K-H"	76.91904
"606223"	875.48364	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+2K-H"	76.91904
"1096567"	343.10724	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2K-H"	76.91904
"154110"	305.151358	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"2M+2K"	77.926316
"587112"	438.245458	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"3M+2K"	77.926316
"1074905"	172.057258	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2K"	77.926316
"1110301"	345.121792	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2K+H"	78.933592
"1347414"	345.209407	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+DMSO+H"	79.021207
"1018494"	349.248576	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2ACN+H"	83.060376
"1538323"	350.242208	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+IsoProp+Na+H"	84.054008
"1002704"	175.127926	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+2ACN+2H"	84.067652
"1601217"	351.156828	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+K+HCOOH"	84.968628
"1428823"	381.188338	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+H+CF3COOH"	115.000138
"1162024"	195.641201	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+3ACN+2H"	125.094202
"1709627"	398.214885	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+NH4+CF3COOH"	132.026685
"1643091"	403.17028	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+Na+CF3COOH"	136.98208
"1575463"	419.14422	"C09694"	"Juvenile hormone III"	"C16H26O3"	"266.1882"	"M+K+CF3COOH"	152.95602
"814579"	260.1412	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M"	0
"979363"	241.12281	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-H2O-H"	-19.01839
"78466"	172.420190666667	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M-3H"	-3.021828
"518313"	259.133924	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M-3H"	-3.021828
"895506"	85.7064573333333	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-3H"	-3.021828
"15620"	259.133924	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M-2H"	-2.014552
"455478"	389.204524	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M-2H"	-2.014552
"832741"	129.063324	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-2H"	-2.014552
"94125"	519.275124	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M-H"	-1.007276
"532497"	779.416324	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M-H"	-1.007276
"907381"	259.133924	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-H"	-1.007276
"61758"	536.301671	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M-2H+NH4"	16.019271
"498765"	796.442871	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M-2H+NH4"	16.019271
"873285"	276.160471	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-2H+NH4"	16.019271
"38998"	541.257066	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M-2H+Na"	20.974666
"478559"	801.398266	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M-2H+Na"	20.974666
"854176"	281.115866	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-2H+Na"	20.974666
"1620427"	281.115866	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Na-2H"	20.974666
"103519"	277.122263	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M-H+Cl"	33.962126
"547092"	407.192863	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M-H+Cl"	33.962126
"941949"	147.051663	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-H+Cl"	33.962126
"282774"	555.251802	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+Cl"	34.969402
"675528"	815.393002	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+Cl"	34.969402
"1288297"	295.110602	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Cl"	34.969402
"28012"	557.231006	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M-2H+K"	36.948606
"465382"	817.372206	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M-2H+K"	36.948606
"844279"	297.089806	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-2H+K"	36.948606
"1566676"	297.089806	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+K-2H"	36.948606
"953465"	305.139394	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-H+HCOOH"	44.998194
"376705"	565.280601	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+HCOOH-H"	44.998201
"358843"	579.296251	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+Hac-H"	59.013851
"1506218"	319.155051	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Hac-H"	59.013851
"971570"	327.121351	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-H+NaCOOH"	66.980151
"124493"	295.110602	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+2Cl"	69.938804
"562229"	425.181202	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+2Cl"	69.938804
"1033580"	165.040002	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2Cl"	69.938804
"1256440"	339.060085	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Br"	78.918885
"1319459"	341.116072	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Cl+HCOOH"	80.974872
"1325448"	363.098029	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Cl+NaCOOH"	102.956829
"921975"	373.126786	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M-H+CF3COOH"	112.985586
"1300869"	409.103464	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Cl+CF3COOH"	148.962264
"1372471"	225.128524	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H-2H2O"	-35.012676
"1393249"	243.1385	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H-H2O"	-17.0027
"294028"	521.289676	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+H"	1.007276
"689366"	781.430876	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+H"	1.007276
"1363892"	261.148476	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H"	1.007276
"140767"	261.148476	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+2H"	2.014552
"580004"	391.219076	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+2H"	2.014552
"1045159"	131.077876	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2H"	2.014552
"207230"	174.434742666667	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+3H"	3.021828
"646791"	261.148476	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+3H"	3.021828
"1167471"	87.7210093333334	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+3H"	3.021828
"430742"	538.316223	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+NH4"	18.033823
"790641"	798.457423	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+NH4"	18.033823
"1686239"	278.175023	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+NH4"	18.033823
"333061"	269.6617495	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+H+NH4"	19.041099
"727302"	399.7323495	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+H+NH4"	19.041099
"1480395"	139.5911495	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H+NH4"	19.041099
"396157"	543.271618	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+Na"	22.989218
"757884"	803.412818	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+Na"	22.989218
"1609262"	283.130418	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Na"	22.989218
"322576"	272.139447	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+H+Na"	23.996494
"717185"	402.210047	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+H+Na"	23.996494
"1473194"	142.068847	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H+Na"	23.996494
"1067533"	95.0483233333333	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2H+Na"	25.00377
"1269575"	293.174686	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+CH3OH+H"	33.033486
"392167"	559.245558	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+K"	38.963158
"753893"	819.386758	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+K"	38.963158
"1553386"	299.104358	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+K"	38.963158
"313893"	280.126417	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+H+K"	39.970434
"700440"	410.197017	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+H+K"	39.970434
"1455355"	150.055817	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H+K"	39.970434
"242865"	562.316226	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+ACN+H"	42.033826
"1225555"	302.175026	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+ACN+H"	42.033826
"1209869"	151.591151	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+ACN+2H"	43.041102
"203874"	565.25356	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+2Na-H"	44.97116
"643837"	825.39476	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+2Na-H"	44.97116
"1146966"	305.11236	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2Na-H"	44.97116
"188287"	283.130418	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+2Na"	45.978436
"628406"	413.201018	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+2Na"	45.978436
"1129398"	153.059818	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2Na"	45.978436
"1412558"	102.375637333333	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H+2Na"	46.985712
"1439569"	307.153946	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H+HCOOH"	47.012746
"230353"	288.16344	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+3H2O+2H"	56.04448
"1524147"	321.20599	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+IsoProp+H"	61.06479
"423213"	291.117388	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+Na+K"	61.952376
"780927"	421.187988	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+Na+K"	61.952376
"1675434"	161.046788	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Na+K"	61.952376
"265256"	584.298168	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+ACN+Na"	64.015768
"1241045"	324.156968	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+ACN+Na"	64.015768
"1727947"	324.180493	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+NH4+HCOOH"	64.039293
"1194072"	109.702951333333	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+3Na"	68.967654
"1663919"	329.135888	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Na+HCOOH"	68.994688
"170779"	597.20144	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+2K-H"	76.91904
"611072"	857.34264	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+2K-H"	76.91904
"1097042"	337.06024	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2K-H"	76.91904
"151671"	299.104358	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"2M+2K"	77.926316
"582112"	429.174958	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"3M+2K"	77.926316
"1072828"	169.033758	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2K"	77.926316
"1113328"	339.074792	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2K+H"	78.933592
"1341327"	339.162407	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+DMSO+H"	79.021207
"1019215"	343.201576	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2ACN+H"	83.060376
"1538436"	344.195208	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+IsoProp+Na+H"	84.054008
"1004272"	172.104426	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+2ACN+2H"	84.067652
"1602706"	345.109828	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+K+HCOOH"	84.968628
"1429782"	375.141338	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+H+CF3COOH"	115.000138
"1162376"	192.617701	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+3ACN+2H"	125.094202
"1709736"	392.167885	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+NH4+CF3COOH"	132.026685
"1643202"	397.12328	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+Na+CF3COOH"	136.98208
"1575573"	413.09722	"C09695"	"Lacinilene C 7-methyl ether"	"C16H20O3"	"260.1412"	"M+K+CF3COOH"	152.95602
"809221"	210.1045	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M"	0
"982753"	191.08611	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-H2O-H"	-19.01839
"77079"	139.062390666667	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M-3H"	-3.021828
"517373"	209.097224	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M-3H"	-3.021828
"893469"	69.0275573333333	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-3H"	-3.021828
"15086"	209.097224	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M-2H"	-2.014552
"453065"	314.149474	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M-2H"	-2.014552
"828677"	104.044974	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-2H"	-2.014552
"88669"	419.201724	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M-H"	-1.007276
"531515"	629.306224	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M-H"	-1.007276
"908222"	209.097224	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-H"	-1.007276
"57493"	436.228271	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M-2H+NH4"	16.019271
"499970"	646.332771	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M-2H+NH4"	16.019271
"874854"	226.123771	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-2H+NH4"	16.019271
"41296"	441.183666	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M-2H+Na"	20.974666
"484139"	651.288166	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M-2H+Na"	20.974666
"854286"	231.079166	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-2H+Na"	20.974666
"1624912"	231.079166	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Na-2H"	20.974666
"101442"	227.085563	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M-H+Cl"	33.962126
"547203"	332.137813	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M-H+Cl"	33.962126
"940722"	122.033313	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-H+Cl"	33.962126
"280979"	455.178402	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+Cl"	34.969402
"672068"	665.282902	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+Cl"	34.969402
"1286294"	245.073902	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Cl"	34.969402
"29943"	457.157606	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M-2H+K"	36.948606
"466588"	667.262106	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M-2H+K"	36.948606
"847672"	247.053106	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-2H+K"	36.948606
"1570432"	247.053106	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+K-2H"	36.948606
"957223"	255.102694	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-H+HCOOH"	44.998194
"375801"	465.207201	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+HCOOH-H"	44.998201
"357859"	479.222851	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+Hac-H"	59.013851
"1505238"	269.118351	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Hac-H"	59.013851
"971682"	277.084651	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-H+NaCOOH"	66.980151
"123143"	245.073902	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+2Cl"	69.938804
"561608"	350.126152	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+2Cl"	69.938804
"1034784"	140.021652	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2Cl"	69.938804
"1251811"	289.023385	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Br"	78.918885
"1316811"	291.079372	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Cl+HCOOH"	80.974872
"1325558"	313.061329	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Cl+NaCOOH"	102.956829
"922085"	323.090086	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M-H+CF3COOH"	112.985586
"1302072"	359.066764	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Cl+CF3COOH"	148.962264
"1372581"	175.091824	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H-2H2O"	-35.012676
"1390076"	193.1018	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H-H2O"	-17.0027
"290857"	421.216276	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+H"	1.007276
"687653"	631.320776	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+H"	1.007276
"1360720"	211.111776	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H"	1.007276
"137988"	211.111776	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+2H"	2.014552
"578648"	316.164026	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+2H"	2.014552
"1049639"	106.059526	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2H"	2.014552
"209888"	141.076942666667	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+3H"	3.021828
"648720"	211.111776	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+3H"	3.021828
"1166849"	71.0421093333333	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+3H"	3.021828
"427570"	438.242823	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+NH4"	18.033823
"788929"	648.347323	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+NH4"	18.033823
"1684892"	228.138323	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+NH4"	18.033823
"332074"	219.6250495	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+H+NH4"	19.041099
"728871"	324.6772995	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+H+NH4"	19.041099
"1480504"	114.5727995	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H+NH4"	19.041099
"395902"	443.198218	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+Na"	22.989218
"759087"	653.302718	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+Na"	22.989218
"1609372"	233.093718	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Na"	22.989218
"325602"	222.102747	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+H+Na"	23.996494
"715109"	327.154997	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+H+Na"	23.996494
"1472210"	117.050497	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H+Na"	23.996494
"1066185"	78.3694233333333	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2H+Na"	25.00377
"1270421"	243.137986	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+CH3OH+H"	33.033486
"390089"	459.172158	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+K"	38.963158
"753150"	669.276658	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+K"	38.963158
"1554591"	249.067658	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+K"	38.963158
"314167"	230.089717	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+H+K"	39.970434
"693990"	335.141967	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+H+K"	39.970434
"1451092"	125.037467	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H+K"	39.970434
"240059"	462.242826	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+ACN+H"	42.033826
"1225205"	252.138326	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+ACN+H"	42.033826
"1207586"	126.572801	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+ACN+2H"	43.041102
"203374"	465.18016	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+2Na-H"	44.97116
"641474"	675.28466	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+2Na-H"	44.97116
"1144858"	255.07566	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2Na-H"	44.97116
"187055"	233.093718	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+2Na"	45.978436
"624910"	338.145968	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+2Na"	45.978436
"1122947"	128.041468	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2Na"	45.978436
"1407566"	85.6967373333333	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H+2Na"	46.985712
"1439312"	257.117246	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H+HCOOH"	47.012746
"228275"	238.12674	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+3H2O+2H"	56.04448
"1517432"	271.16929	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+IsoProp+H"	61.06479
"418218"	241.080688	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+Na+K"	61.952376
"778120"	346.132938	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+Na+K"	61.952376
"1674451"	136.028438	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Na+K"	61.952376
"266913"	484.224768	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+ACN+Na"	64.015768
"1241194"	274.120268	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+ACN+Na"	64.015768
"1728343"	274.143793	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+NH4+HCOOH"	64.039293
"1189765"	93.0240513333333	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+3Na"	68.967654
"1662571"	279.099188	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Na+HCOOH"	68.994688
"170887"	497.12804	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+2K-H"	76.91904
"611182"	707.23254	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+2K-H"	76.91904
"1096059"	287.02354	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2K-H"	76.91904
"153240"	249.067658	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"2M+2K"	77.926316
"582466"	354.119908	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"3M+2K"	77.926316
"1070751"	144.015408	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2K"	77.926316
"1108335"	289.038092	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2K+H"	78.933592
"1342530"	289.125707	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+DMSO+H"	79.021207
"1016530"	293.164876	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2ACN+H"	83.060376
"1536842"	294.158508	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+IsoProp+Na+H"	84.054008
"1003290"	147.086076	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+2ACN+2H"	84.067652
"1602697"	295.073128	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+K+HCOOH"	84.968628
"1429528"	325.104638	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+H+CF3COOH"	115.000138
"1162368"	167.599351	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+3ACN+2H"	125.094202
"1710940"	342.131185	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+NH4+CF3COOH"	132.026685
"1643312"	347.08658	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+Na+CF3COOH"	136.98208
"1575683"	363.06052	"C09696"	"Lactaroviolin"	"C15H14O"	"210.1045"	"M+K+CF3COOH"	152.95602
"803863"	450.2618	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M"	0
"976665"	431.24341	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-H2O-H"	-19.01839
"77432"	299.167257333333	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M-3H"	-3.021828
"517844"	449.254524	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M-3H"	-3.021828
"893822"	149.079990666667	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-3H"	-3.021828
"14954"	449.254524	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M-2H"	-2.014552
"453903"	674.385424	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M-2H"	-2.014552
"829515"	224.123624	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-2H"	-2.014552
"87686"	899.516324	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M-H"	-1.007276
"530527"	1349.778124	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M-H"	-1.007276
"908941"	449.254524	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-H"	-1.007276
"58332"	916.542871	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M-2H+NH4"	16.019271
"500080"	1366.804671	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M-2H+NH4"	16.019271
"873505"	466.281071	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-2H+NH4"	16.019271
"41406"	921.498266	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M-2H+Na"	20.974666
"484977"	1371.760066	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M-2H+Na"	20.974666
"854396"	471.236466	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-2H+Na"	20.974666
"1625022"	471.236466	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Na-2H"	20.974666
"101916"	467.242863	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M-H+Cl"	33.962126
"541113"	692.373763	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M-H+Cl"	33.962126
"941804"	242.111963	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-H+Cl"	33.962126
"278657"	935.493002	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+Cl"	34.969402
"674123"	1385.754802	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+Cl"	34.969402
"1286525"	485.231202	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Cl"	34.969402
"27137"	937.472206	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M-2H+K"	36.948606
"467792"	1387.734006	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M-2H+K"	36.948606
"841220"	487.210406	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-2H+K"	36.948606
"1567988"	487.210406	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+K-2H"	36.948606
"955871"	495.259994	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-H+HCOOH"	44.998194
"376642"	945.521801	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+HCOOH-H"	44.998201
"356875"	959.537451	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+Hac-H"	59.013851
"1507901"	509.275651	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Hac-H"	59.013851
"971063"	517.241951	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-H+NaCOOH"	66.980151
"124348"	485.231202	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+2Cl"	69.938804
"563541"	710.362102	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+2Cl"	69.938804
"1035621"	260.100302	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2Cl"	69.938804
"1256579"	529.180685	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Br"	78.918885
"1318014"	531.236672	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Cl+HCOOH"	80.974872
"1334051"	553.218629	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Cl+NaCOOH"	102.956829
"926206"	563.247386	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M-H+CF3COOH"	112.985586
"1302912"	599.224064	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Cl+CF3COOH"	148.962264
"1378158"	415.249124	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H-2H2O"	-35.012676
"1391279"	433.2591	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H-H2O"	-17.0027
"290967"	901.530876	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+H"	1.007276
"685576"	1351.792676	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+H"	1.007276
"1360830"	451.269076	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H"	1.007276
"139190"	451.269076	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+2H"	2.014552
"578393"	676.399976	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+2H"	2.014552
"1047564"	226.138176	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2H"	2.014552
"218749"	301.181809333333	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+3H"	3.021828
"647737"	451.269076	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+3H"	3.021828
"1165496"	151.094542666667	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+3H"	3.021828
"427680"	918.557423	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+NH4"	18.033823
"788672"	1368.819223	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+NH4"	18.033823
"1682086"	468.295623	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+NH4"	18.033823
"333280"	459.7823495	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+H+NH4"	19.041099
"730074"	684.9132495	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+H+NH4"	19.041099
"1481709"	234.6514495	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H+NH4"	19.041099
"397108"	923.512818	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+Na"	22.989218
"761384"	1373.774618	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+Na"	22.989218
"1611668"	473.251018	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Na"	22.989218
"322797"	462.260047	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+H+Na"	23.996494
"713031"	687.390947	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+H+Na"	23.996494
"1474507"	237.129147	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H+Na"	23.996494
"1067753"	158.421856666667	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2H+Na"	25.00377
"1270168"	483.295286	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+CH3OH+H"	33.033486
"390928"	939.486758	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+K"	38.963158
"751189"	1389.748558	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+K"	38.963158
"1553608"	489.224958	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+K"	38.963158
"314238"	470.247017	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+H+K"	39.970434
"703214"	695.377917	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+H+K"	39.970434
"1458493"	245.116117	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H+K"	39.970434
"244179"	942.557426	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+ACN+H"	42.033826
"1224426"	492.295626	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+ACN+H"	42.033826
"1208304"	246.651451	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+ACN+2H"	43.041102
"203242"	945.49476	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+2Na-H"	44.97116
"642799"	1395.75656	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+2Na-H"	44.97116
"1144725"	495.23296	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2Na-H"	44.97116
"187529"	473.251018	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+2Na"	45.978436
"625020"	698.381918	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+2Na"	45.978436
"1125243"	248.120118	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2Na"	45.978436
"1411683"	165.749170666667	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H+2Na"	46.985712
"1437600"	497.274546	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H+HCOOH"	47.012746
"228385"	478.28404	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+3H2O+2H"	56.04448
"1518272"	511.32659	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+IsoProp+H"	61.06479
"418328"	481.237988	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+Na+K"	61.952376
"778230"	706.368888	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+Na+K"	61.952376
"1673467"	256.107088	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Na+K"	61.952376
"266571"	964.539368	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+ACN+Na"	64.015768
"1240373"	514.277568	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+ACN+Na"	64.015768
"1727801"	514.301093	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+NH4+HCOOH"	64.039293
"1192062"	173.076484666667	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+3Na"	68.967654
"1663046"	519.256488	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Na+HCOOH"	68.994688
"170999"	977.44264	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+2K-H"	76.91904
"610929"	1427.70444	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+2K-H"	76.91904
"1099208"	527.18084	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2K-H"	76.91904
"157130"	489.224958	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"2M+2K"	77.926316
"587076"	714.355858	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"3M+2K"	77.926316
"1077423"	264.094058	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2K"	77.926316
"1115009"	529.195392	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2K+H"	78.933592
"1344829"	529.283007	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+DMSO+H"	79.021207
"1018463"	533.322176	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2ACN+H"	83.060376
"1536952"	534.315808	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+IsoProp+Na+H"	84.054008
"1003036"	267.164726	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+2ACN+2H"	84.067652
"1602607"	535.230428	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+K+HCOOH"	84.968628
"1427937"	565.261938	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+H+CF3COOH"	115.000138
"1162640"	287.678001	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+3ACN+2H"	125.094202
"1709957"	582.288485	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+NH4+CF3COOH"	132.026685
"1644514"	587.24388	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+Na+CF3COOH"	136.98208
"1575793"	603.21782	"C09697"	"Laserpitin"	"C25H38O7"	"450.2618"	"M+K+CF3COOH"	152.95602
"803973"	222.1984	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M"	0
"975074"	203.18001	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"78272"	147.124990666667	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"518200"	221.191124	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"894054"	73.0588573333333	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"14454"	221.191124	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"454013"	332.290324	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"831083"	110.091924	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"91076"	443.389524	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"531730"	665.587924	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"909900"	221.191124	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"60994"	460.416071	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"495814"	682.614471	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"872522"	238.217671	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"39328"	465.371466	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"479983"	687.569866	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"860703"	243.173066	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1632059"	243.173066	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"103849"	239.179463	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"548272"	350.278663	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"940215"	128.080263	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"281200"	479.366202	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"667912"	701.564602	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1283597"	257.167802	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"28340"	481.345406	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"464620"	703.543806	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"844609"	259.147006	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1568098"	259.147006	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"951606"	267.196594	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"373100"	489.395001	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"355889"	503.410651	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1504357"	281.212251	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"962420"	289.178551	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"121173"	257.167802	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"560731"	368.267002	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1035734"	146.068602	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1255313"	301.117285	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1319137"	303.173272	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1330150"	325.155229	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"926681"	335.183986	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1299011"	371.160664	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1378268"	187.185724	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1397830"	205.1957	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"292171"	445.404076	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"687875"	667.602476	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1364224"	223.205676	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"136016"	223.205676	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"578869"	334.304876	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1049131"	112.106476	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"213389"	149.139542666667	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"644803"	223.205676	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1163172"	75.0734093333333	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"425108"	462.430623	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"786348"	684.629023	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1682197"	240.232223	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"331931"	231.7189495	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"729090"	342.8181495	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1481819"	120.6197495	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"397218"	467.386018	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"759306"	689.584418	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1608496"	245.187618	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"320718"	234.196647	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"713139"	345.295847	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1468056"	123.097447	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1059114"	82.4007233333333	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1267353"	255.231886	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"391398"	483.359958	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"753771"	705.558358	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1554444"	261.161558	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"313328"	242.183617	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"705141"	353.282817	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1455323"	131.084417	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"241008"	486.430626	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1225022"	264.232226	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1207684"	132.619751	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"201768"	489.36796	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"640961"	711.56636	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1145560"	267.16956	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"185570"	245.187618	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"624036"	356.286818	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1122800"	134.088418	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1406690"	89.7280373333333	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1438803"	269.211146	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"226309"	250.22064	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1517652"	283.26319	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"417344"	253.174588	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"780526"	364.273788	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1675763"	142.075388	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"263382"	508.412568	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1240242"	286.214168	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1728118"	286.237693	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1193025"	97.0553513333333	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1662427"	291.193088	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"170745"	521.31584	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"611524"	743.51424	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1099198"	299.11744	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"155407"	261.161558	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"584273"	372.260758	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1075346"	150.062358	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1113539"	301.131992	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1342752"	301.219607	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1018575"	305.258776	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1532689"	306.252408	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1005383"	153.133026	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1602634"	307.167028	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1427684"	337.198538	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1161614"	173.646301	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1711769"	354.225085	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1643531"	359.18048	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1573715"	375.15442	"C09698"	"Ledol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"804447"	204.1878	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M"	0
"978707"	185.16941	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75705"	135.117924	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517819"	203.180524	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"890881"	67.055324	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14923"	203.180524	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"455215"	305.274424	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"832165"	101.086624	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91548"	407.368324	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532569"	611.556124	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"907456"	203.180524	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61953"	424.394871	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"493736"	628.582671	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874817"	220.207071	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"36157"	429.350266	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"483373"	633.538066	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861177"	225.162466	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1632169"	225.162466	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"106875"	221.168863	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"548746"	323.262763	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"941052"	119.074963	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"282366"	443.345002	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"671303"	647.532802	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285894"	239.157202	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"28451"	445.324206	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"466917"	649.512006	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847637"	241.136406	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1567114"	241.136406	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953902"	249.185994	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372846"	453.373801	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"355635"	467.389451	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1501551"	263.201651	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"964716"	271.167951	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"124441"	239.157202	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"561206"	341.251102	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036209"	137.063302	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1255422"	283.106685	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1319328"	285.162672	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1329896"	307.144629	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925331"	317.173386	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1300214"	353.150064	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1379471"	169.175124	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1397819"	187.1851	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"296654"	409.382876	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"689686"	613.570676	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1364334"	205.195076	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137221"	205.195076	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"574598"	307.288976	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1051062"	103.101176	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"215684"	137.132476	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"654153"	205.195076	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164622"	69.069876	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"427166"	426.409423	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"787797"	630.597223	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684857"	222.221623	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"333135"	213.7083495	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"725919"	315.8022495	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480832"	111.6144495	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"397326"	431.364818	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"759416"	635.552618	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1606419"	227.177018	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320828"	216.186047	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"713249"	318.279947	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1469259"	114.092147	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1061410"	76.39719	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1267461"	237.221286	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"391506"	447.338758	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"752136"	651.526558	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1554919"	243.150958	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"312824"	224.173017	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"706833"	326.266917	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1460537"	122.079117	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"245491"	450.409426	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225378"	246.221626	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209008"	123.614451	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202605"	453.34676	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"642532"	657.53456	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146645"	249.15896	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"183492"	227.177018	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626332"	329.270918	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122910"	125.083118	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1407893"	83.724504	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1437819"	251.200546	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"226420"	232.21004	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1514482"	265.25259	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"416353"	235.163988	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"779543"	337.257888	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669312"	133.070088	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266292"	472.391368	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1240713"	268.203568	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1728333"	268.227093	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1193452"	91.051818	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1663628"	273.182488	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"171821"	485.29464	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"610406"	689.48244	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1094550"	281.10684	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"156612"	243.150958	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"585476"	345.244858	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1078737"	141.057058	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1114987"	283.121392	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345779"	283.209007	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1016497"	287.248176	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531704"	288.241808	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1000340"	144.127726	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1601894"	289.156428	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427795"	319.187938	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1160994"	164.641001	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1710178"	336.214485	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1648986"	341.16988	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1576012"	357.14382	"C09699"	"Longifolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"806380"	236.1776	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M"	0
"975902"	217.15921	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"75451"	156.444457333333	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"517850"	235.170324	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"890991"	77.7185906666667	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"14912"	235.170324	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"454840"	353.259124	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"831792"	117.081524	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"91294"	471.347924	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"532801"	707.525524	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"910119"	235.170324	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"62755"	488.374471	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"501382"	724.552071	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"874928"	252.196871	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"39548"	493.329866	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"485674"	729.507466	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"864191"	257.152266	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1630820"	257.152266	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"106256"	253.158663	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"544722"	371.247463	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"940798"	135.069863	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"282557"	507.324602	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"673237"	743.502202	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1287342"	271.147002	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"26375"	509.303806	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"470310"	745.481406	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"847749"	273.126206	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1568319"	273.126206	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"955107"	281.175794	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"376236"	517.353401	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"356474"	531.369051	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1499473"	295.191451	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"963733"	303.157751	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"123579"	271.147002	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"561316"	389.235802	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1036199"	153.058202	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1256505"	315.096485	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1318955"	317.152472	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1331464"	339.134429	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"925805"	349.163186	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1299960"	385.139864	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1380676"	201.164924	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1395985"	219.1749	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"294580"	473.362476	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"689190"	709.540076	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1366473"	237.184876	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"139887"	237.184876	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"576897"	355.273676	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1048985"	119.096076	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"212513"	158.459009333333	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"649890"	237.184876	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1164728"	79.7331426666667	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"426181"	490.389023	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"787541"	726.566623	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1683508"	254.211423	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"331786"	245.6981495	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"724936"	363.7869495	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1478390"	127.6093495	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"393183"	495.344418	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"756246"	731.522018	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1608716"	259.166818	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"317658"	248.175847	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"714452"	366.264647	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1469369"	130.087047	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1061521"	87.0604566666667	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1270490"	269.211086	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"390523"	511.318358	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"751882"	747.495958	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1552477"	275.140758	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"313300"	256.162817	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"705722"	374.251617	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1458825"	138.074017	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"250829"	514.389026	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1224509"	278.211426	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1208758"	139.609351	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"203692"	517.32636	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"642274"	753.50396	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1145174"	281.14876	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"182506"	259.166818	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"622066"	377.255618	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1124478"	141.078018	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1408003"	94.3877706666667	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1437929"	283.190346	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"226530"	264.19984	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1514592"	297.24239	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"415370"	267.153788	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"775280"	385.242588	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1669422"	149.064988	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"263602"	536.370968	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1239972"	300.193368	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1727884"	300.216893	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1192020"	101.715084666667	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1664100"	305.172288	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"170958"	549.27424	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"610150"	785.45184	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1095753"	313.09664	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"151485"	275.140758	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"587771"	393.229558	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1077754"	157.051958	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1113152"	315.111192	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1346254"	315.198807	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1016609"	319.237976	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1532910"	320.231608	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"1001543"	160.122626	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1601518"	321.146228	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1427175"	351.177738	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1161468"	180.635901	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1711017"	368.204285	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1649217"	373.15968	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1576122"	389.13362	"C09700"	"Lubimin"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"803210"	262.1205	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M"	0
"976008"	243.10211	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"75925"	173.739724	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"513299"	261.113224	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"891101"	86.366224	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"14416"	261.113224	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"455360"	392.173474	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"832188"	130.052974	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"91405"	523.233724	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"534091"	785.354224	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"910108"	261.113224	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"59863"	540.260271	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"501371"	802.380771	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"871758"	278.139771	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"34189"	545.215666	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"480314"	807.336166	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"862979"	283.095166	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1630930"	283.095166	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"105273"	279.101563	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"543739"	410.161813	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"941272"	148.041313	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"282545"	559.210402	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"675131"	821.330902	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1287857"	297.089902	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"26485"	561.189606	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"470623"	823.310106	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"847860"	299.069106	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1569158"	299.069106	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"957039"	307.118694	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"376310"	569.239201	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"358771"	583.254851	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1501770"	321.134351	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"966030"	329.100651	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"124987"	297.089902	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"557779"	428.150152	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1036065"	166.029652	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1256006"	341.039385	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1318817"	343.095372	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1330117"	365.077329	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"925798"	375.106086	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1300434"	411.082764	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1381151"	227.107824	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1396097"	245.1178	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"296876"	525.248276	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"689787"	787.368776	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1365771"	263.127776	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"141094"	263.127776	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"573728"	394.188026	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1048003"	132.067526	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"214806"	175.754276	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"650000"	263.127776	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1169218"	88.380776	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"426294"	542.274823	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"787288"	804.395323	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1683983"	280.154323	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"332260"	271.6410495	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"725046"	402.7012995	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1478136"	140.5807995	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"393295"	547.230218	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"756355"	809.350718	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1608827"	285.109718	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"317769"	274.118747	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"714563"	405.178997	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1470572"	143.058497	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1060538"	95.70809	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1269507"	295.153986	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"389540"	563.204158	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"753452"	825.324658	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1552951"	301.083658	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"312679"	282.105717	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"706321"	413.165967	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1461207"	151.045467	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"250451"	566.274826	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1224981"	304.154326	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1207772"	152.580801	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"203805"	569.21216	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"641778"	831.33266	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1142609"	307.09166	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"180430"	285.109718	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"621083"	416.169968	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1123495"	154.049468	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1405926"	103.035404	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1441320"	309.133246	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"231014"	290.14274	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1521264"	323.18529	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"422408"	293.096688	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"775389"	424.156938	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1669531"	162.036438	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"264805"	588.256768	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1239353"	326.136268	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1727871"	326.159793	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1190673"	110.362718	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1662388"	331.115188	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"171435"	601.16004	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"610991"	863.28054	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1094769"	339.03954	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"153049"	301.083658	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"591879"	432.143908	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1077864"	170.023408	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1114356"	341.054092	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1347458"	341.141707	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1018177"	345.180876	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1539095"	346.174508	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"1005299"	173.094076	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1601260"	347.089128	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1428013"	377.120638	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1161215"	193.607351	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1707116"	394.147185	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1648234"	399.10258	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1575138"	415.07652	"C09701"	"Marasmic acid"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"803320"	266.1518	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M"	0
"975755"	247.13341	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-H2O-H"	-19.01839
"76035"	176.427257333333	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M-3H"	-3.021828
"513409"	265.144524	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M-3H"	-3.021828
"891211"	87.7099906666667	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-3H"	-3.021828
"15132"	265.144524	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M-2H"	-2.014552
"454820"	398.220424	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M-2H"	-2.014552
"832262"	132.068624	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-2H"	-2.014552
"93586"	531.296324	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M-H"	-1.007276
"533513"	797.448124	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M-H"	-1.007276
"908638"	265.144524	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-H"	-1.007276
"56693"	548.322871	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M-2H+NH4"	16.019271
"497349"	814.474671	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M-2H+NH4"	16.019271
"871869"	282.171071	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-2H+NH4"	16.019271
"32111"	553.278266	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M-2H+Na"	20.974666
"473864"	819.430066	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M-2H+Na"	20.974666
"858226"	287.126466	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-2H+Na"	20.974666
"1633439"	287.126466	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Na-2H"	20.974666
"105383"	283.132863	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M-H+Cl"	33.962126
"544944"	416.208763	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M-H+Cl"	33.962126
"940653"	150.056963	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-H+Cl"	33.962126
"281521"	567.273002	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+Cl"	34.969402
"672364"	833.424802	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+Cl"	34.969402
"1286222"	301.121202	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Cl"	34.969402
"26595"	569.252206	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M-2H+K"	36.948606
"467247"	835.404006	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M-2H+K"	36.948606
"847728"	303.100406	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-2H+K"	36.948606
"1568174"	303.100406	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+K-2H"	36.948606
"956056"	311.149994	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-H+HCOOH"	44.998194
"375363"	577.301801	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+HCOOH-H"	44.998201
"358881"	591.317451	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+Hac-H"	59.013851
"1503339"	325.165651	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Hac-H"	59.013851
"965047"	333.131951	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-H+NaCOOH"	66.980151
"124528"	301.121202	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+2Cl"	69.938804
"557889"	434.197102	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+2Cl"	69.938804
"1033981"	168.045302	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2Cl"	69.938804
"1256120"	345.070685	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Br"	78.918885
"1318933"	347.126672	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Cl+HCOOH"	80.974872
"1334601"	369.108629	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Cl+NaCOOH"	102.956829
"926396"	379.137386	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M-H+CF3COOH"	112.985586
"1302733"	415.114064	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Cl+CF3COOH"	148.962264
"1381991"	231.139124	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H-2H2O"	-35.012676
"1396206"	249.1491	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H-H2O"	-17.0027
"296986"	533.310876	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+H"	1.007276
"689410"	799.462676	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+H"	1.007276
"1366611"	267.159076	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H"	1.007276
"141203"	267.159076	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+2H"	2.014552
"577118"	400.234976	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+2H"	2.014552
"1047019"	134.083176	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2H"	2.014552
"214553"	178.441809333333	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+3H"	3.021828
"646829"	267.159076	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+3H"	3.021828
"1171516"	89.7245426666667	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+3H"	3.021828
"426040"	550.337423	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+NH4"	18.033823
"789222"	816.489223	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+NH4"	18.033823
"1683727"	284.185623	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+NH4"	18.033823
"332371"	275.6723495	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+H+NH4"	19.041099
"724424"	408.7482495	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+H+NH4"	19.041099
"1481162"	142.5964495	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H+NH4"	19.041099
"396563"	555.292818	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+Na"	22.989218
"755370"	821.444618	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+Na"	22.989218
"1610031"	289.141018	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Na"	22.989218
"321159"	278.150047	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+H+Na"	23.996494
"713580"	411.225947	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+H+Na"	23.996494
"1470682"	145.074147	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H+Na"	23.996494
"1065020"	97.0518566666667	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2H+Na"	25.00377
"1267797"	299.185286	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+CH3OH+H"	33.033486
"389286"	571.266758	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+K"	38.963158
"752104"	837.418558	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+K"	38.963158
"1551603"	305.114958	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+K"	38.963158
"311332"	286.137017	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+H+K"	39.970434
"705214"	419.212917	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+H+K"	39.970434
"1457951"	153.061117	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H+K"	39.970434
"250686"	574.337426	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+ACN+H"	42.033826
"1224488"	308.185626	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+ACN+H"	42.033826
"1208005"	154.596451	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+ACN+2H"	43.041102
"202818"	577.27476	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+2Na-H"	44.97116
"641401"	843.42656	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+2Na-H"	44.97116
"1144177"	311.12296	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2Na-H"	44.97116
"182363"	289.141018	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+2Na"	45.978436
"622284"	422.216918	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+2Na"	45.978436
"1126522"	156.065118	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2Na"	45.978436
"1406036"	104.379170666667	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H+2Na"	46.985712
"1443985"	313.164546	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H+HCOOH"	47.012746
"228938"	294.17404	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+3H2O+2H"	56.04448
"1518824"	327.21659	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+IsoProp+H"	61.06479
"419966"	297.127988	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+Na+K"	61.952376
"776592"	430.203888	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+Na+K"	61.952376
"1670734"	164.052088	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Na+K"	61.952376
"266743"	596.319368	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+ACN+Na"	64.015768
"1240192"	330.167568	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+ACN+Na"	64.015768
"1727375"	330.191093	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+NH4+HCOOH"	64.039293
"1191876"	111.706484666667	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+3Na"	68.967654
"1663107"	335.146488	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Na+HCOOH"	68.994688
"170815"	609.22264	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+2K-H"	76.91904
"612072"	875.37444	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+2K-H"	76.91904
"1096704"	343.07084	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2K-H"	76.91904
"153523"	305.114958	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"2M+2K"	77.926316
"593082"	438.190858	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"3M+2K"	77.926316
"1071409"	172.039058	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2K"	77.926316
"1108996"	345.085392	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2K+H"	78.933592
"1339913"	345.173007	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+DMSO+H"	79.021207
"1018285"	349.212176	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2ACN+H"	83.060376
"1539734"	350.205808	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+IsoProp+Na+H"	84.054008
"1005532"	175.109726	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+2ACN+2H"	84.067652
"1601735"	351.120428	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+K+HCOOH"	84.968628
"1428487"	381.151938	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+H+CF3COOH"	115.000138
"1161691"	195.623001	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+3ACN+2H"	125.094202
"1712577"	398.178485	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+NH4+CF3COOH"	132.026685
"1646158"	403.13388	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+Na+CF3COOH"	136.98208
"1579623"	419.10782	"C09702"	"Mukaadial"	"C15H22O4"	"266.1518"	"M+K+CF3COOH"	152.95602
"809991"	222.1984	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M"	0
"975139"	203.18001	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"76876"	147.124990666667	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"517897"	221.191124	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"895417"	73.0588573333333	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"15655"	221.191124	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"455416"	332.290324	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"832708"	110.091924	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"93942"	443.389524	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"533499"	665.587924	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"909477"	221.191124	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"58992"	460.416071	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"494543"	682.614471	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"875260"	238.217671	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"36600"	465.371466	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"477254"	687.569866	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"863930"	243.173066	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1633871"	243.173066	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"105493"	239.179463	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"543961"	350.278663	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"939309"	128.080263	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"281631"	479.366202	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"673204"	701.564602	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1287425"	257.167802	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"29621"	481.345406	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"469545"	703.543806	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"845531"	259.147006	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1570473"	259.147006	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"954344"	267.196594	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"374382"	489.395001	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"361142"	503.410651	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1505637"	281.212251	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"965157"	289.178551	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"125003"	257.167802	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"557999"	368.267002	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1035550"	146.068602	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1256837"	301.117285	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1319853"	303.173272	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1334715"	325.155229	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"926870"	335.183986	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1302479"	371.160664	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1381372"	187.185724	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1397411"	205.1957	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"297827"	445.404076	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"690250"	667.602476	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1366970"	223.205676	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"141303"	223.205676	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"577232"	334.304876	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1048220"	112.106476	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"215026"	149.139542666667	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"655682"	223.205676	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1172717"	75.0734093333333	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"431617"	462.430623	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790426"	684.629023	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1684933"	240.232223	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"335033"	231.7189495	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"724902"	342.8181495	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1479085"	120.6197495	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"396672"	467.386018	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"757668"	689.584418	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1609047"	245.187618	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"320177"	234.196647	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"714786"	345.295847	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1470794"	123.097447	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1066224"	82.4007233333333	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1270095"	255.231886	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"389400"	483.359958	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"752214"	705.558358	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1551713"	261.161558	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"311442"	242.183617	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"705324"	353.282817	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1457332"	131.084417	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"249578"	486.430626	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1224354"	264.232226	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1208116"	132.619751	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"203419"	489.36796	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"642971"	711.56636	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1144651"	267.16956	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"184296"	245.187618	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"618386"	356.286818	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1121529"	134.088418	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1403958"	89.7280373333333	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1437166"	269.211146	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"227955"	250.22064	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1519297"	283.26319	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"416796"	253.174588	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"775609"	364.273788	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1668658"	142.075388	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"265759"	508.412568	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1236293"	286.214168	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1727241"	286.237693	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1190528"	97.0553513333333	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1663581"	291.193088	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"169831"	521.31584	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"611575"	743.51424	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1096450"	299.11744	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"153634"	261.161558	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"592099"	372.260758	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1074802"	150.062358	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1109106"	301.131992	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1340023"	301.219607	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1012927"	305.258776	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1537614"	306.252408	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1005401"	153.133026	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1602454"	307.167028	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1429326"	337.198538	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1162165"	173.646301	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1712564"	354.225085	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1646268"	359.18048	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1576453"	375.15442	"C09704"	"Nerolidol;(3S6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"803540"	222.1984	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M"	0
"974837"	203.18001	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"69689"	147.124990666667	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"518008"	221.191124	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"895287"	73.0588573333333	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"15441"	221.191124	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"455449"	332.290324	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"832106"	110.091924	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"93070"	443.389524	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"533733"	665.587924	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"910439"	221.191124	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"61286"	460.416071	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"500847"	682.614471	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"872090"	238.217671	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"39990"	465.371466	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"480644"	687.569866	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"862821"	243.173066	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1633206"	243.173066	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"104510"	239.179463	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"540791"	350.278663	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"941485"	128.080263	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"281740"	479.366202	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"673316"	701.564602	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1287905"	257.167802	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"28638"	481.345406	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"470749"	703.543806	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"846370"	259.147006	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1570584"	259.147006	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"954090"	267.196594	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"374493"	489.395001	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"360806"	503.410651	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1505018"	281.212251	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"966360"	289.178551	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"122197"	257.167802	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"554829"	368.267002	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1034931"	146.068602	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1256950"	301.117285	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1319635"	303.173272	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1335397"	325.155229	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"926936"	335.183986	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1302589"	371.160664	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1382172"	187.185724	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1398178"	205.1957	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"298303"	445.404076	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"689632"	667.602476	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1366713"	223.205676	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"140691"	223.205676	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"577342"	334.304876	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1049424"	112.106476	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"216600"	149.139542666667	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"654341"	223.205676	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1175742"	75.0734093333333	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"436100"	462.430623	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790536"	684.629023	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1683586"	240.232223	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"334414"	231.7189495	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"725743"	342.8181495	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1479561"	120.6197495	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"394233"	467.386018	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"759966"	689.584418	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1605877"	245.187618	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"318101"	234.196647	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"711616"	345.295847	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1466531"	123.097447	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1061964"	82.4007233333333	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1268020"	255.231886	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"389508"	483.359958	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"748679"	705.558358	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1551822"	261.161558	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"310823"	242.183617	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"703612"	353.282817	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1456345"	131.084417	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"247132"	486.430626	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1223853"	264.232226	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1209522"	132.619751	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"203932"	489.36796	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"640162"	711.56636	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1141843"	267.16956	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"184406"	245.187618	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"620319"	356.286818	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1121637"	134.088418	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1410627"	89.7280373333333	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1438369"	269.211146	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"230251"	250.22064	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1516126"	283.26319	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"413625"	253.174588	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"777908"	364.273788	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1672049"	142.075388	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"266719"	508.412568	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1237860"	286.214168	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1727596"	286.237693	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1192460"	97.0553513333333	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1663083"	291.193088	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"168847"	521.31584	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"611320"	743.51424	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1095831"	299.11744	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"153015"	261.161558	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"590387"	372.260758	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1081465"	150.062358	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1109216"	301.131992	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1343413"	301.219607	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1016318"	305.258776	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1534443"	306.252408	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1005268"	153.133026	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1602444"	307.167028	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1429677"	337.198538	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1160082"	173.646301	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1711822"	354.225085	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1646378"	359.18048	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1576563"	375.15442	"C09705"	"Patchouli alcohol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"810211"	316.2038	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M"	0
"978274"	297.18541	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"74172"	209.795257333333	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"517020"	315.196524	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"895422"	104.393990666667	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"15538"	315.196524	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"455319"	473.298424	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"832544"	157.094624	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"92207"	631.400324	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"534099"	947.604124	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"910999"	315.196524	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"62250"	648.426871	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"501810"	964.630671	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"874387"	332.223071	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"40101"	653.382266	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"478567"	969.586066	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"861837"	337.178466	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1632464"	337.178466	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"106807"	333.184863	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"539804"	491.286763	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"941838"	175.082963	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"281360"	667.377002	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"673667"	983.580802	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1288098"	351.173202	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"29477"	669.356206	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"470495"	985.560006	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"848181"	353.152406	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1569965"	353.152406	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"957481"	361.201994	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"376061"	677.405801	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"360554"	691.421451	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1507929"	375.217651	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"970844"	383.183951	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"125348"	351.173202	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"561500"	509.275102	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1036785"	193.071302	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1257034"	395.122685	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1319743"	397.178672	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1335537"	419.160629	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"926724"	429.189386	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1304088"	465.166064	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1382722"	281.191124	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1398431"	299.2011	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"298055"	633.414876	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"690961"	949.618676	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1366703"	317.211076	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"141166"	317.211076	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"575266"	475.312976	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1049902"	159.109176	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"217802"	211.809809333333	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"655907"	317.211076	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1175125"	106.408542666667	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"436941"	650.441423	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"792833"	966.645223	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1685883"	334.237623	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"334161"	325.7243495	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"727675"	483.8262495	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1481495"	167.6224495	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"395436"	655.396818	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"761169"	971.600618	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1608173"	339.193018	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"322584"	328.202047	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"713913"	486.303947	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1468829"	170.100147	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1065721"	113.735856666667	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1270316"	349.237286	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"391078"	671.370758	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"752434"	987.574558	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1553025"	355.166958	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"312392"	336.189017	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"707077"	494.290917	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1456456"	178.087117	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"248337"	674.441426	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1224449"	358.237626	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1209755"	179.622451	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"204231"	677.37876	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"643882"	993.58256	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1144142"	361.17496	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"187797"	339.193018	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"625897"	497.294918	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1122840"	181.091118	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1407457"	121.063170666667	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1436293"	363.216546	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"230361"	344.22604	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1519516"	377.26859	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"414099"	347.179988	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"780934"	505.281888	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1669973"	189.078088	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"266911"	696.423368	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1240765"	380.219568	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1727946"	380.243093	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1192204"	128.390484666667	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1661004"	385.198488	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"169685"	709.32664	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"609607"	1025.53044	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1096302"	393.12284	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"153491"	355.166958	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"591591"	513.268858	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1081575"	197.065058	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1112607"	395.137392	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1345710"	395.225007	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1019835"	399.264176	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1536740"	400.257808	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"1005010"	200.135726	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1602310"	401.172428	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1429667"	431.203938	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1161894"	220.649001	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1711932"	448.230485	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1648675"	453.18588	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1576673"	469.15982	"C09706"	"Petasin"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"807041"	280.1311	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M"	0
"974260"	261.11271	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-H2O-H"	-19.01839
"69909"	185.746790666667	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M-3H"	-3.021828
"514944"	279.123824	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M-3H"	-3.021828
"894448"	92.3697573333333	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-3H"	-3.021828
"14726"	279.123824	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M-2H"	-2.014552
"455133"	419.189374	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M-2H"	-2.014552
"829045"	139.058274	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-2H"	-2.014552
"91224"	559.254924	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M-H"	-1.007276
"532609"	839.386024	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M-H"	-1.007276
"908959"	279.123824	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-H"	-1.007276
"61753"	576.281471	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M-2H+NH4"	16.019271
"499974"	856.412571	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M-2H+NH4"	16.019271
"877414"	296.150371	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-2H+NH4"	16.019271
"40211"	581.236866	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M-2H+Na"	20.974666
"478677"	861.367966	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M-2H+Na"	20.974666
"860493"	301.105766	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-2H+Na"	20.974666
"1631484"	301.105766	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Na-2H"	20.974666
"108010"	297.112163	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M-H+Cl"	33.962126
"537729"	437.177713	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M-H+Cl"	33.962126
"941826"	157.046613	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-H+Cl"	33.962126
"281470"	595.231602	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+Cl"	34.969402
"673897"	875.362702	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+Cl"	34.969402
"1288160"	315.100502	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Cl"	34.969402
"29226"	597.210806	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M-2H+K"	36.948606
"469874"	877.341906	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M-2H+K"	36.948606
"842212"	317.079706	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-2H+K"	36.948606
"1567886"	317.079706	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+K-2H"	36.948606
"956864"	325.129294	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-H+HCOOH"	44.998194
"373982"	605.260401	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+HCOOH-H"	44.998201
"358593"	619.276051	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+Hac-H"	59.013851
"1506332"	339.144951	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Hac-H"	59.013851
"966580"	347.111251	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-H+NaCOOH"	66.980151
"124240"	315.100502	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+2Cl"	69.938804
"558330"	455.166052	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+2Cl"	69.938804
"1035516"	175.034952	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2Cl"	69.938804
"1248896"	359.049985	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Br"	78.918885
"1309154"	361.105972	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Cl+HCOOH"	80.974872
"1323369"	383.087929	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Cl+NaCOOH"	102.956829
"926102"	393.116686	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M-H+CF3COOH"	112.985586
"1302808"	429.093364	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Cl+CF3COOH"	148.962264
"1375862"	245.118424	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H-2H2O"	-35.012676
"1387894"	263.1284	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H-H2O"	-17.0027
"298040"	561.269476	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+H"	1.007276
"690946"	841.400576	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+H"	1.007276
"1366757"	281.138376	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H"	1.007276
"140304"	281.138376	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+2H"	2.014552
"577562"	421.203926	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+2H"	2.014552
"1044182"	141.072826	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2H"	2.014552
"214268"	187.761342666667	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+3H"	3.021828
"655654"	281.138376	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+3H"	3.021828
"1171953"	94.3843093333333	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+3H"	3.021828
"429762"	578.296023	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+NH4"	18.033823
"790027"	858.427123	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+NH4"	18.033823
"1682226"	298.164923	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+NH4"	18.033823
"333178"	289.6516495	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+H+NH4"	19.041099
"723895"	429.7171995	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+H+NH4"	19.041099
"1477714"	149.5860995	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H+NH4"	19.041099
"393964"	583.251418	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+Na"	22.989218
"759093"	863.382518	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+Na"	22.989218
"1605245"	303.120318	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Na"	22.989218
"320506"	292.129347	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+H+Na"	23.996494
"714022"	432.194897	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+H+Na"	23.996494
"1470028"	152.063797	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H+Na"	23.996494
"1062912"	101.711623333333	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2H+Na"	25.00377
"1266776"	313.164586	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+CH3OH+H"	33.033486
"388270"	599.225358	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+K"	38.963158
"751085"	879.356458	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+K"	38.963158
"1549854"	319.094258	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+K"	38.963158
"312866"	300.116317	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+H+K"	39.970434
"704196"	440.181867	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+H+K"	39.970434
"1458751"	160.050767	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H+K"	39.970434
"247352"	602.296026	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+ACN+H"	42.033826
"1223342"	322.164926	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+ACN+H"	42.033826
"1209696"	161.586101	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+ACN+2H"	43.041102
"201187"	605.23336	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+2Na-H"	44.97116
"640017"	885.36446	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+2Na-H"	44.97116
"1142429"	325.10226	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2Na-H"	44.97116
"185355"	303.120318	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+2Na"	45.978436
"620539"	443.185868	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+2Na"	45.978436
"1118577"	163.054768	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2Na"	45.978436
"1402100"	109.038937333333	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H+2Na"	46.985712
"1433122"	327.143846	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H+HCOOH"	47.012746
"222817"	308.15334	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+3H2O+2H"	56.04448
"1514159"	341.19589	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+IsoProp+H"	61.06479
"414936"	311.107288	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+Na+K"	61.952376
"773380"	451.172838	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+Na+K"	61.952376
"1667896"	171.041738	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Na+K"	61.952376
"264994"	624.277968	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+ACN+Na"	64.015768
"1241149"	344.146868	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+ACN+Na"	64.015768
"1727690"	344.170393	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+NH4+HCOOH"	64.039293
"1191582"	116.366251333333	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+3Na"	68.967654
"1664026"	349.125788	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Na+HCOOH"	68.994688
"170522"	637.18124	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+2K-H"	76.91904
"607893"	917.31234	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+2K-H"	76.91904
"1093133"	357.05014	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2K-H"	76.91904
"153236"	319.094258	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"2M+2K"	77.926316
"590608"	459.159808	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"3M+2K"	77.926316
"1080592"	179.028708	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2K"	77.926316
"1115271"	359.064692	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2K+H"	78.933592
"1348008"	359.152307	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+DMSO+H"	79.021207
"1021123"	363.191476	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2ACN+H"	83.060376
"1538796"	364.185108	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+IsoProp+Na+H"	84.054008
"1004269"	182.099376	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+2ACN+2H"	84.067652
"1602540"	365.099728	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+K+HCOOH"	84.968628
"1429847"	395.131238	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+H+CF3COOH"	115.000138
"1159209"	202.612651	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+3ACN+2H"	125.094202
"1712042"	412.157785	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+NH4+CF3COOH"	132.026685
"1647692"	417.11318	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+Na+CF3COOH"	136.98208
"1576783"	433.08712	"C09707"	"Phaseic acid"	"C15H20O5"	"280.1311"	"M+K+CF3COOH"	152.95602
"807151"	264.1362	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M"	0
"975214"	245.11781	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"70019"	175.083524	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"517245"	263.128924	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"894315"	87.038124	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"14595"	263.128924	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"454270"	395.197024	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"830248"	131.060824	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"89146"	527.265124	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"532721"	791.401324	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"909554"	263.128924	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"61743"	544.291671	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"499721"	808.427871	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"876794"	280.155471	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"42508"	549.247066	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"483161"	813.383266	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"860966"	285.110866	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1632320"	285.110866	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"107757"	281.117263	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"537110"	413.185363	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"939012"	149.049163	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"281945"	563.241802	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"674006"	827.378002	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1287863"	299.105602	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"29577"	565.221006	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"468888"	829.357206	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"845596"	301.084806	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1569819"	301.084806	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"956608"	309.134394	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"374821"	573.270601	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"360162"	587.286251	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1506442"	323.150051	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"966690"	331.116351	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"123621"	299.105602	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"559533"	431.173702	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1036356"	167.037502	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1252285"	343.055085	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1308171"	345.111072	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1324572"	367.093029	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"925848"	377.121786	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1302918"	413.098464	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1379251"	229.123524	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1390191"	247.1335	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"290969"	529.279676	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"683391"	793.415876	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1356461"	265.143476	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"134813"	265.143476	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"579486"	397.211576	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1050122"	133.075376	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"217656"	177.098076	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"655764"	265.143476	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1173525"	89.052676	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"434244"	546.306223	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"791959"	810.442423	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1685011"	282.170023	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"337662"	273.6567495	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"723073"	405.7248495	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1478801"	141.5886495	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"393143"	551.261618	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"759205"	815.397818	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1605113"	287.125418	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"322806"	276.134447	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"714134"	408.202547	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1472326"	144.066347	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1063383"	96.37999	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1269073"	297.169686	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"389837"	567.235558	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"747912"	831.371758	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1549964"	303.099358	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"309328"	284.121417	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"705643"	416.189517	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1459226"	152.053317	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"247828"	570.306226	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1223452"	306.170026	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1208429"	153.588651	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"200933"	573.24356	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"642193"	837.37976	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1143268"	309.10736	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"186193"	287.125418	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"619555"	419.193518	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1118686"	155.057318	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1402209"	103.707304	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1433232"	311.148946	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"224020"	292.15844	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1514269"	325.20099	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"415046"	295.112388	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"774219"	427.180488	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1671285"	163.044288	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"265713"	592.288168	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1241054"	328.151968	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1726343"	328.175493	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1190964"	111.034618	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1661586"	333.130888	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"168444"	605.19144	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"604360"	869.32764	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1088870"	341.05524	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"152254"	303.099358	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"589626"	435.167458	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1080337"	171.031258	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1115603"	343.069792	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1349212"	343.157407	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1020299"	347.196576	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1539792"	348.190208	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1004136"	174.101926	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1602602"	349.104828	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1429865"	379.136338	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1160048"	194.615201	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1712275"	396.162885	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1646708"	401.11828	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1576893"	417.09222	"C09708"	"Phomenone"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"807261"	294.1831	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M"	0
"975202"	275.16471	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-H2O-H"	-19.01839
"70129"	195.114790666667	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M-3H"	-3.021828
"507503"	293.175824	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M-3H"	-3.021828
"894788"	97.0537573333333	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-3H"	-3.021828
"14945"	293.175824	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M-2H"	-2.014552
"455231"	440.267374	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M-2H"	-2.014552
"830358"	146.084274	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-2H"	-2.014552
"86704"	587.358924	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M-H"	-1.007276
"527357"	881.542024	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M-H"	-1.007276
"908443"	293.175824	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-H"	-1.007276
"61366"	604.385471	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M-2H+NH4"	16.019271
"499101"	898.568571	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M-2H+NH4"	16.019271
"869610"	310.202371	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-2H+NH4"	16.019271
"41525"	609.340866	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M-2H+Na"	20.974666
"475615"	903.523966	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M-2H+Na"	20.974666
"855605"	315.157766	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-2H+Na"	20.974666
"1630608"	315.157766	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Na-2H"	20.974666
"107137"	311.164163	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M-H+Cl"	33.962126
"538313"	458.255713	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M-H+Cl"	33.962126
"938029"	164.072613	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-H+Cl"	33.962126
"280964"	623.335602	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+Cl"	34.969402
"672294"	917.518702	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+Cl"	34.969402
"1287372"	329.152502	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Cl"	34.969402
"29686"	625.314806	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M-2H+K"	36.948606
"470215"	919.497906	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M-2H+K"	36.948606
"847493"	331.131706	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-2H+K"	36.948606
"1565914"	331.131706	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+K-2H"	36.948606
"956352"	339.181294	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-H+HCOOH"	44.998194
"374569"	633.364401	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+HCOOH-H"	44.998201
"358450"	647.380051	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+Hac-H"	59.013851
"1506187"	353.196951	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Hac-H"	59.013851
"963520"	361.163251	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-H+NaCOOH"	66.980151
"122638"	329.152502	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+2Cl"	69.938804
"556363"	476.244052	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+2Cl"	69.938804
"1035616"	182.060952	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2Cl"	69.938804
"1252395"	373.101985	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Br"	78.918885
"1307188"	375.157972	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Cl+HCOOH"	80.974872
"1323224"	397.139929	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Cl+NaCOOH"	102.956829
"925230"	407.168686	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M-H+CF3COOH"	112.985586
"1303025"	443.145364	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Cl+CF3COOH"	148.962264
"1377174"	259.170424	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H-2H2O"	-35.012676
"1390301"	277.1804	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H-H2O"	-17.0027
"291079"	589.373476	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+H"	1.007276
"679126"	883.556576	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+H"	1.007276
"1357662"	295.190376	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H"	1.007276
"131643"	295.190376	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+2H"	2.014552
"578868"	442.281926	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+2H"	2.014552
"1050597"	148.098826	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2H"	2.014552
"216673"	197.129342666667	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+3H"	3.021828
"654053"	295.190376	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+3H"	3.021828
"1176186"	99.0683093333333	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+3H"	3.021828
"432170"	606.400023	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+NH4"	18.033823
"792069"	900.583123	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+NH4"	18.033823
"1686214"	312.216923	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+NH4"	18.033823
"337773"	303.7036495	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+H+NH4"	19.041099
"724727"	450.7951995	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+H+NH4"	19.041099
"1481827"	156.6120995	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H+NH4"	19.041099
"393010"	611.355418	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+Na"	22.989218
"761502"	905.538518	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+Na"	22.989218
"1608503"	317.172318	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Na"	22.989218
"324739"	306.181347	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+H+Na"	23.996494
"716067"	453.272897	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+H+Na"	23.996494
"1473166"	159.089797	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H+Na"	23.996494
"1063493"	106.395623333333	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2H+Na"	25.00377
"1269912"	327.216586	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+CH3OH+H"	33.033486
"389582"	627.329358	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+K"	38.963158
"748022"	921.512458	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+K"	38.963158
"1550074"	333.146258	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+K"	38.963158
"309438"	314.168317	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+H+K"	39.970434
"704418"	461.259867	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+H+K"	39.970434
"1460189"	167.076767	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H+K"	39.970434
"250126"	630.400026	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+ACN+H"	42.033826
"1224539"	336.216926	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+ACN+H"	42.033826
"1208539"	168.612101	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+ACN+2H"	43.041102
"201043"	633.33736	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+2Na-H"	44.97116
"642788"	927.52046	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+2Na-H"	44.97116
"1143742"	339.15426	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2Na-H"	44.97116
"186667"	317.172318	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+2Na"	45.978436
"621852"	464.263868	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+2Na"	45.978436
"1122075"	170.080768	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2Na"	45.978436
"1403412"	113.722937333333	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H+2Na"	46.985712
"1433342"	341.195846	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H+HCOOH"	47.012746
"224131"	322.20534	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+3H2O+2H"	56.04448
"1514378"	355.24789	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+IsoProp+H"	61.06479
"415157"	325.159288	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+Na+K"	61.952376
"774329"	472.250838	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+Na+K"	61.952376
"1673580"	178.067738	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Na+K"	61.952376
"264487"	652.381968	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+ACN+Na"	64.015768
"1240000"	358.198868	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+ACN+Na"	64.015768
"1725360"	358.222393	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+NH4+HCOOH"	64.039293
"1188887"	121.050251333333	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+3Na"	68.967654
"1662061"	363.177788	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Na+HCOOH"	68.994688
"167096"	665.28524	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+2K-H"	76.91904
"605198"	959.46834	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+2K-H"	76.91904
"1090073"	371.10214	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2K-H"	76.91904
"152364"	333.146258	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"2M+2K"	77.926316
"590829"	480.237808	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"3M+2K"	77.926316
"1076068"	186.054708	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2K"	77.926316
"1114027"	373.116692	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2K+H"	78.933592
"1349322"	373.204307	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+DMSO+H"	79.021207
"1020530"	377.243476	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2ACN+H"	83.060376
"1539589"	378.237108	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+IsoProp+Na+H"	84.054008
"1004855"	189.125376	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+2ACN+2H"	84.067652
"1602476"	379.151728	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+K+HCOOH"	84.968628
"1429631"	409.183238	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+H+CF3COOH"	115.000138
"1157243"	209.638651	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+3ACN+2H"	125.094202
"1711898"	426.209785	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+NH4+CF3COOH"	132.026685
"1645725"	431.16518	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+Na+CF3COOH"	136.98208
"1577003"	447.13912	"C09709"	"Phytuberin"	"C17H26O4"	"294.1831"	"M+K+CF3COOH"	152.95602
"813931"	232.1463	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M"	0
"977622"	213.12791	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"64767"	153.756924	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"510893"	231.139024	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"895584"	76.374824	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"15630"	231.139024	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"455599"	347.212174	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"830468"	115.065874	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"86814"	463.285324	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"527467"	695.431624	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"910255"	231.139024	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"62540"	480.311871	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"501885"	712.458171	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"873729"	248.165571	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"44915"	485.267266	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"481194"	717.413566	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"860090"	253.120966	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1630354"	253.120966	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"103965"	249.127363	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"539152"	365.200513	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"935950"	133.054213	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"281437"	499.262002	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"674349"	731.408302	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1287598"	267.115702	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"28456"	501.241206	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"470079"	733.387506	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"844723"	269.094906	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1569304"	269.094906	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"956828"	277.144494	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"374314"	509.290801	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"357831"	523.306451	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1504474"	291.160151	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"963630"	299.126451	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"123842"	267.115702	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"559753"	383.188852	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1036090"	151.042552	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1250318"	311.065185	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1306932"	313.121172	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1322606"	335.103129	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"926430"	345.131886	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1302042"	381.108564	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1377284"	197.133624	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1391503"	215.1436	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"287908"	465.299876	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"677412"	697.446176	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1359959"	233.153576	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"127378"	233.153576	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"578978"	349.226726	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1044493"	117.080426	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"215689"	155.771476	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"654891"	233.153576	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1177752"	78.389376	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"435562"	482.326423	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"795459"	714.472723	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1691793"	250.180123	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"338977"	241.6668495	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"730304"	357.7399995	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1485217"	125.5936995	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"398429"	487.281818	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"763799"	719.428118	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1609710"	255.135518	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"327038"	244.144547	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"716541"	360.217697	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1474006"	128.071397	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1065427"	85.71669	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1269658"	265.179786	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"389692"	503.255758	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"748132"	735.402058	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1550184"	271.109458	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"309548"	252.131517	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"705622"	368.204667	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1460541"	136.058367	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"250115"	506.326426	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1224852"	274.180126	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1207560"	137.593701	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"203998"	509.26376	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"644167"	741.41006	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1146815"	277.11746	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"188197"	255.135518	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"625242"	371.208668	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1120728"	139.062368	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1401700"	93.044004	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1431994"	279.159046	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"223148"	260.16854	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1513393"	293.21109	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"413081"	263.122488	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"775171"	379.195638	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1673688"	147.049338	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"266056"	528.308368	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1238771"	296.162068	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1726924"	296.185593	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1190091"	100.371318	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1663264"	301.140988	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"167570"	541.21164	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"608591"	773.35794	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1090185"	309.06534	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"150652"	271.109458	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"591303"	387.182608	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1075449"	155.036308	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1115109"	311.079892	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1351179"	311.167507	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1020730"	315.206676	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1539251"	316.200308	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"1005584"	158.106976	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1602021"	317.114928	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1428525"	347.146438	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1156259"	178.620251	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1710185"	364.172985	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1642555"	369.12838	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1577113"	385.10232	"C09710"	"Pinguisone"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"804200"	250.1569	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M"	0
"974465"	231.13851	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"64876"	165.763990666667	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"508816"	249.149624	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"893186"	82.3783573333333	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"15041"	249.149624	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"455549"	374.228074	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"828026"	124.071174	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"86924"	499.306524	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"527577"	749.463424	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"909756"	249.149624	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"61460"	516.333071	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"500414"	766.489971	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"869466"	266.176171	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"44661"	521.288466	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"478024"	771.445366	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"859106"	271.131566	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1629734"	271.131566	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"104075"	267.137963	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"539262"	392.216413	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"937152"	142.059513	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"278994"	535.283202	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"670321"	785.440102	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1286007"	285.126302	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"29659"	537.262406	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"468124"	787.419306	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"844833"	287.105506	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1569414"	287.105506	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"956209"	295.155094	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"374060"	545.312001	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"356848"	559.327651	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1504948"	309.170751	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"963740"	317.137051	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"123952"	285.126302	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"559863"	410.204752	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1036443"	160.047852	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1249335"	329.075785	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1307771"	331.131772	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1322714"	353.113729	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"926540"	363.142486	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1301423"	399.119164	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1377394"	215.144224	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1390520"	233.1542	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"286925"	501.321076	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"678251"	751.477976	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1360069"	251.164176	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"128581"	251.164176	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"578723"	376.242626	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1044603"	126.085726	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"215802"	167.778542666667	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"657913"	251.164176	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1177373"	84.3929093333333	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"434213"	518.347623	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"794478"	768.504523	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1693359"	268.190723	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"334714"	259.6774495	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"725068"	384.7558995	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1483140"	134.5989995	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"396352"	523.303018	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"760630"	773.459918	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1609821"	273.146118	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"326417"	262.155147	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"714464"	387.233597	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1475574"	137.076697	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1064078"	91.7202233333333	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1268310"	283.190386	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"389072"	539.276958	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"741682"	789.433858	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1543734"	289.120058	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"312575"	270.142117	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"706096"	395.220567	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1460165"	145.063667	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"246700"	542.347626	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1225242"	292.190726	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1208763"	146.599001	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"203334"	545.28496	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"643375"	795.44186	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1146519"	295.12806	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"187985"	273.146118	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"625352"	398.224568	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1120471"	148.067668	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1401807"	99.0475373333333	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1433923"	297.169646	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"223618"	278.17914	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1514596"	311.22169	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"412095"	281.133088	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"772001"	406.211538	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1669424"	156.054638	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"266165"	564.329568	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1237425"	314.172668	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1726304"	314.196193	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1192386"	106.374851333333	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1660091"	319.151588	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"165128"	577.23284	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"603595"	827.38974	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1090295"	327.07594	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"150396"	289.120058	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"591048"	414.198508	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1076652"	164.041608	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1114852"	329.090492	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1350513"	329.178107	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1020256"	333.217276	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1535103"	334.210908	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"1002643"	167.112276	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1601519"	335.125528	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1426812"	365.157038	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1155275"	187.625551	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1710294"	382.183585	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1642665"	387.13898	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1573943"	403.11292	"C09711"	"Piperdial"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"804310"	234.162	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M"	0
"975655"	215.14361	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"63569"	155.100724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"511112"	233.154724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"895242"	77.046724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"15276"	233.154724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"453617"	350.235724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"828136"	116.073724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"87034"	467.316724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"527687"	701.478724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"902207"	233.154724	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"50385"	484.343271	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"495055"	718.505271	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"869940"	250.181271	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"43314"	489.298666	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"483967"	723.460666	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"858123"	255.136666	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1628752"	255.136666	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"106374"	251.143063	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"542654"	368.224063	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"937264"	134.062063	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"280926"	503.293402	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"671524"	737.455402	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1287454"	269.131402	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"29767"	505.272606	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"468235"	739.434606	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"846403"	271.110606	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1565150"	271.110606	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"955228"	279.160194	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"371255"	513.322201	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"355136"	527.337851	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1505058"	293.175851	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"964943"	301.142151	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"122239"	269.131402	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"559973"	386.212402	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1034973"	152.050402	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1249445"	313.080885	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1306787"	315.136872	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1321367"	337.118829	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"926528"	347.147586	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1301532"	383.124264	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1377504"	199.149324	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1390629"	217.1593	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"287035"	469.331276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"678362"	703.493276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1357992"	235.169276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H"	1.007276
"128691"	235.169276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"578833"	352.250276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1045806"	118.088276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"214819"	157.115276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"658387"	235.169276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1177847"	79.061276	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"435781"	486.357823	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"797869"	720.519823	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1690918"	252.195823	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"340291"	243.6825495	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"725057"	360.7635495	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1484346"	126.6015495	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"398649"	491.313218	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"761834"	725.475218	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1609931"	257.151218	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"326530"	246.160247	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"715668"	363.241247	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1472768"	129.079247	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1066014"	86.38859	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1270608"	267.195486	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"389182"	507.287158	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"742156"	741.449158	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1543844"	273.125158	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+K"	38.963158
"311592"	254.147217	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"706571"	371.228217	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1459303"	137.066217	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"248633"	510.357826	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1224624"	276.195826	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1208874"	138.601551	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"202957"	513.29516	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"643486"	747.45716	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1146508"	279.13316	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"187366"	257.151218	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"625462"	374.232218	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1120216"	140.070218	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1403741"	93.715904	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1435127"	281.174746	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"224458"	262.18424	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1513247"	295.22679	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"412568"	265.138188	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"774297"	382.219188	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1666375"	148.057188	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"264817"	532.339768	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1236440"	298.177768	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1727143"	298.201293	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1189216"	101.043218	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1660201"	303.156688	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"164874"	545.24304	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"604798"	779.40504	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1091498"	311.08104	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"150506"	273.125158	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"592251"	390.206158	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1075669"	156.044158	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1111074"	313.095592	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1350380"	313.183207	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1020366"	317.222376	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1535213"	318.216008	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1003118"	159.114826	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1601264"	319.130628	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1427286"	349.162138	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1154292"	179.628101	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1709311"	366.188685	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1639495"	371.14408	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1574053"	387.11802	"C09712"	"Polygodial"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"804784"	376.1886	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M"	0
"976124"	357.17021	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-H2O-H"	-19.01839
"64003"	249.785124	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M-3H"	-3.021828
"511222"	375.181324	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M-3H"	-3.021828
"889029"	124.388924	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-3H"	-3.021828
"15144"	375.181324	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M-2H"	-2.014552
"452634"	563.275624	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M-2H"	-2.014552
"828246"	187.087024	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-2H"	-2.014552
"87144"	751.369924	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M-H"	-1.007276
"527797"	1127.558524	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M-H"	-1.007276
"901224"	375.181324	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-H"	-1.007276
"52318"	768.396471	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M-2H+NH4"	16.019271
"495165"	1144.585071	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M-2H+NH4"	16.019271
"870050"	392.207871	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-2H+NH4"	16.019271
"41603"	773.351866	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M-2H+Na"	20.974666
"483349"	1149.540466	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M-2H+Na"	20.974666
"858233"	397.163266	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-2H+Na"	20.974666
"1623393"	397.163266	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Na-2H"	20.974666
"103202"	393.169663	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M-H+Cl"	33.962126
"540577"	581.263963	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M-H+Cl"	33.962126
"936281"	205.075363	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-H+Cl"	33.962126
"277023"	787.346602	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+Cl"	34.969402
"668352"	1163.535202	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+Cl"	34.969402
"1276381"	411.158002	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Cl"	34.969402
"28783"	789.325806	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M-2H+K"	36.948606
"469074"	1165.514406	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M-2H+K"	36.948606
"846146"	413.137206	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-2H+K"	36.948606
"1564165"	413.137206	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+K-2H"	36.948606
"954241"	421.186794	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-H+HCOOH"	44.998194
"370271"	797.375401	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+HCOOH-H"	44.998201
"358525"	811.391051	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+Hac-H"	59.013851
"1504074"	435.202451	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Hac-H"	59.013851
"963960"	443.168751	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-H+NaCOOH"	66.980151
"123078"	411.158002	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+2Cl"	69.938804
"560083"	599.252302	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+2Cl"	69.938804
"1036298"	223.063702	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2Cl"	69.938804
"1249555"	455.107485	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Br"	78.918885
"1307626"	457.163472	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Cl+HCOOH"	80.974872
"1321113"	479.145429	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Cl+NaCOOH"	102.956829
"926274"	489.174186	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M-H+CF3COOH"	112.985586
"1300549"	525.150864	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Cl+CF3COOH"	148.962264
"1377614"	341.175924	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H-2H2O"	-35.012676
"1387459"	359.1859	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H-H2O"	-17.0027
"284958"	753.384476	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+H"	1.007276
"677378"	1129.573076	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+H"	1.007276
"1358102"	377.195876	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H"	1.007276
"128072"	377.195876	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+2H"	2.014552
"578214"	565.290176	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+2H"	2.014552
"1044823"	189.101576	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2H"	2.014552
"214565"	251.799676	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+3H"	3.021828
"656676"	377.195876	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+3H"	3.021828
"1173706"	126.403476	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+3H"	3.021828
"433703"	770.411023	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+NH4"	18.033823
"794698"	1146.599623	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+NH4"	18.033823
"1688842"	394.222423	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+NH4"	18.033823
"334934"	385.7091495	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+H+NH4"	19.041099
"722830"	573.8034495	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+H+NH4"	19.041099
"1478621"	197.6148495	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H+NH4"	19.041099
"396572"	775.366418	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+Na"	22.989218
"758662"	1151.555018	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+Na"	22.989218
"1603597"	399.177818	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Na"	22.989218
"320077"	388.186847	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+H+Na"	23.996494
"715779"	576.281147	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+H+Na"	23.996494
"1471781"	200.092547	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H+Na"	23.996494
"1058466"	133.73079	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2H+Na"	25.00377
"1264518"	409.222086	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+CH3OH+H"	33.033486
"379812"	791.340358	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+K"	38.963158
"741902"	1167.528958	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+K"	38.963158
"1539990"	415.151758	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+K"	38.963158
"311702"	396.173817	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+H+K"	39.970434
"705588"	584.268117	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+H+K"	39.970434
"1456497"	208.079517	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H+K"	39.970434
"246556"	794.411026	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+ACN+H"	42.033826
"1221816"	418.222426	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+ACN+H"	42.033826
"1207522"	209.614851	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+ACN+2H"	43.041102
"202214"	797.34836	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+2Na-H"	44.97116
"643112"	1173.53696	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+2Na-H"	44.97116
"1145766"	421.15976	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2Na-H"	44.97116
"186380"	399.177818	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+2Na"	45.978436
"623385"	587.272118	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+2Na"	45.978436
"1119962"	211.083518	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2Na"	45.978436
"1402758"	141.058104	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H+2Na"	46.985712
"1432686"	423.201346	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H+HCOOH"	47.012746
"224567"	404.21084	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+3H2O+2H"	56.04448
"1512628"	437.25339	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+IsoProp+H"	61.06479
"412313"	407.164788	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+Na+K"	61.952376
"774407"	595.259088	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+Na+K"	61.952376
"1667457"	219.070488	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Na+K"	61.952376
"264923"	816.392968	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+ACN+Na"	64.015768
"1236549"	440.204368	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+ACN+Na"	64.015768
"1726161"	440.227893	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+NH4+HCOOH"	64.039293
"1189690"	148.385418	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+3Na"	68.967654
"1659580"	445.183288	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Na+HCOOH"	68.994688
"164255"	829.29624	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+2K-H"	76.91904
"603815"	1205.48484	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+2K-H"	76.91904
"1091608"	453.10764	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2K-H"	76.91904
"150616"	415.151758	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"2M+2K"	77.926316
"592361"	603.246058	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"3M+2K"	77.926316
"1076872"	227.057458	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2K"	77.926316
"1110084"	455.122192	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2K+H"	78.933592
"1348668"	455.209807	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+DMSO+H"	79.021207
"1020476"	459.248976	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2ACN+H"	83.060376
"1536416"	460.242608	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+IsoProp+Na+H"	84.054008
"1003956"	230.128126	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+2ACN+2H"	84.067652
"1601984"	461.157228	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+K+HCOOH"	84.968628
"1426303"	491.188738	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+H+CF3COOH"	115.000138
"1153308"	250.641401	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+3ACN+2H"	125.094202
"1709421"	508.215285	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+NH4+CF3COOH"	132.026685
"1639605"	513.17068	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+Na+CF3COOH"	136.98208
"1574163"	529.14462	"C09714"	"Rhipocephalin"	"C21H28O6"	"376.1886"	"M+K+CF3COOH"	152.95602
"804530"	222.162	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M"	0
"974535"	203.14361	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-H2O-H"	-19.01839
"64114"	147.100724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M-3H"	-3.021828
"511332"	221.154724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M-3H"	-3.021828
"888046"	73.046724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-3H"	-3.021828
"10997"	221.154724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M-2H"	-2.014552
"449462"	332.235724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M-2H"	-2.014552
"828355"	110.073724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-2H"	-2.014552
"83971"	443.316724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M-H"	-1.007276
"525720"	665.478724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M-H"	-1.007276
"903521"	221.154724	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-H"	-1.007276
"51335"	460.343271	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M-2H+NH4"	16.019271
"495275"	682.505271	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M-2H+NH4"	16.019271
"870524"	238.181271	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-2H+NH4"	16.019271
"42803"	465.298666	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M-2H+Na"	20.974666
"480541"	687.460666	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M-2H+Na"	20.974666
"856156"	243.136666	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-2H+Na"	20.974666
"1623867"	243.136666	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Na-2H"	20.974666
"103312"	239.143063	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M-H+Cl"	33.962126
"540687"	350.224063	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M-H+Cl"	33.962126
"936391"	128.062063	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-H+Cl"	33.962126
"277133"	479.293402	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+Cl"	34.969402
"664087"	701.455402	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+Cl"	34.969402
"1278677"	257.131402	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Cl"	34.969402
"28894"	481.272606	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M-2H+K"	36.948606
"469184"	703.434606	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M-2H+K"	36.948606
"845163"	259.110606	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-2H+K"	36.948606
"1562089"	259.110606	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+K-2H"	36.948606
"954351"	267.160194	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-H+HCOOH"	44.998194
"372565"	489.322201	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+HCOOH-H"	44.998201
"357541"	503.337851	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+Hac-H"	59.013851
"1506371"	281.175851	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Hac-H"	59.013851
"967350"	289.142151	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-H+NaCOOH"	66.980151
"120637"	257.131402	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+2Cl"	69.938804
"560193"	368.212402	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+2Cl"	69.938804
"1035557"	146.050402	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2Cl"	69.938804
"1249665"	301.080885	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Br"	78.918885
"1306643"	303.136872	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Cl+HCOOH"	80.974872
"1321952"	325.118829	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Cl+NaCOOH"	102.956829
"924681"	335.147586	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M-H+CF3COOH"	112.985586
"1299565"	371.124264	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Cl+CF3COOH"	148.962264
"1376631"	187.149324	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H-2H2O"	-35.012676
"1388662"	205.1593	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H-H2O"	-17.0027
"285068"	445.331276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+H"	1.007276
"678581"	667.493276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+H"	1.007276
"1357119"	223.169276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H"	1.007276
"127818"	223.169276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+2H"	2.014552
"578324"	334.250276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+2H"	2.014552
"1044204"	112.088276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2H"	2.014552
"214675"	149.115276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+3H"	3.021828
"655693"	223.169276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+3H"	3.021828
"1172723"	75.061276	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+3H"	3.021828
"435636"	462.357823	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+NH4"	18.033823
"794808"	684.519823	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+NH4"	18.033823
"1688952"	240.195823	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+NH4"	18.033823
"332857"	231.6825495	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+H+NH4"	19.041099
"723612"	342.7635495	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+H+NH4"	19.041099
"1480190"	120.6015495	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H+NH4"	19.041099
"395589"	467.313218	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+Na"	22.989218
"759865"	689.475218	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+Na"	22.989218
"1606140"	245.151218	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Na"	22.989218
"319094"	234.160247	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+H+Na"	23.996494
"716981"	345.241247	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+H+Na"	23.996494
"1472620"	123.079247	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H+Na"	23.996494
"1058576"	82.38859	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2H+Na"	25.00377
"1261712"	255.195486	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+CH3OH+H"	33.033486
"377733"	483.287158	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+K"	38.963158
"740186"	705.449158	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+K"	38.963158
"1540052"	261.125158	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+K"	38.963158
"301603"	242.147217	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+H+K"	39.970434
"704970"	353.228217	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+H+K"	39.970434
"1456242"	131.066217	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H+K"	39.970434
"245937"	486.357826	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+ACN+H"	42.033826
"1220833"	264.195826	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+ACN+H"	42.033826
"1207267"	132.601551	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+ACN+2H"	43.041102
"200137"	489.29516	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+2Na-H"	44.97116
"642856"	711.45716	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+2Na-H"	44.97116
"1145997"	267.13316	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2Na-H"	44.97116
"186489"	245.151218	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+2Na"	45.978436
"619121"	356.232218	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+2Na"	45.978436
"1118613"	134.070218	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2Na"	45.978436
"1401773"	89.715904	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H+2Na"	46.985712
"1433886"	269.174746	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H+HCOOH"	47.012746
"222489"	250.18424	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+3H2O+2H"	56.04448
"1511646"	283.22679	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+IsoProp+H"	61.06479
"411694"	253.138188	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+Na+K"	61.952376
"770382"	364.219188	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+Na+K"	61.952376
"1666473"	142.057188	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Na+K"	61.952376
"261749"	508.339768	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+ACN+Na"	64.015768
"1234472"	286.177768	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+ACN+Na"	64.015768
"1726634"	286.201293	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+NH4+HCOOH"	64.039293
"1190529"	97.043218	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+3Na"	68.967654
"1658596"	291.156688	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Na+HCOOH"	68.994688
"162176"	521.24304	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+2K-H"	76.91904
"603925"	743.40504	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+2K-H"	76.91904
"1092812"	299.08104	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2K-H"	76.91904
"145253"	261.125158	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"2M+2K"	77.926316
"584815"	372.206158	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"3M+2K"	77.926316
"1076982"	150.044158	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2K"	77.926316
"1109100"	301.095592	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2K+H"	78.933592
"1347684"	301.183207	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+DMSO+H"	79.021207
"1019490"	305.222376	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2ACN+H"	83.060376
"1538709"	306.216008	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+IsoProp+Na+H"	84.054008
"1003702"	153.114826	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+2ACN+2H"	84.067652
"1602092"	307.130628	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+K+HCOOH"	84.968628
"1426413"	337.162138	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+H+CF3COOH"	115.000138
"1152325"	173.628101	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+3ACN+2H"	125.094202
"1704064"	354.188685	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+NH4+CF3COOH"	132.026685
"1636435"	359.14408	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+Na+CF3COOH"	136.98208
"1574273"	375.11802	"C09715"	"Rishitin"	"C14H22O2"	"222.162"	"M+K+CF3COOH"	152.95602
"807920"	532.2672	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M"	0
"975254"	513.24881	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-H2O-H"	-19.01839
"63495"	353.837524	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M-3H"	-3.021828
"511442"	531.259924	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M-3H"	-3.021828
"891437"	176.415124	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-3H"	-3.021828
"13294"	531.259924	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M-2H"	-2.014552
"450666"	797.393524	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M-2H"	-2.014552
"827372"	265.126324	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-2H"	-2.014552
"84081"	1063.527124	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M-H"	-1.007276
"524737"	1595.794324	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M-H"	-1.007276
"900350"	531.259924	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-H"	-1.007276
"51443"	1080.553671	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M-2H+NH4"	16.019271
"495385"	1612.820871	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M-2H+NH4"	16.019271
"870270"	548.286471	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-2H+NH4"	16.019271
"43278"	1085.509066	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M-2H+Na"	20.974666
"482838"	1617.776266	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M-2H+Na"	20.974666
"858453"	553.241866	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-2H+Na"	20.974666
"1626893"	553.241866	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Na-2H"	20.974666
"105611"	549.248263	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M-H+Cl"	33.962126
"546265"	815.381863	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M-H+Cl"	33.962126
"937594"	283.114663	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-H+Cl"	33.962126
"278336"	1099.503802	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+Cl"	34.969402
"668572"	1631.771002	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+Cl"	34.969402
"1278785"	567.236602	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Cl"	34.969402
"30100"	1101.483006	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M-2H+K"	36.948606
"468200"	1633.750206	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M-2H+K"	36.948606
"846368"	569.215806	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-2H+K"	36.948606
"1563293"	569.215806	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+K-2H"	36.948606
"955553"	577.265394	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-H+HCOOH"	44.998194
"374860"	1109.532601	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+HCOOH-H"	44.998201
"356556"	1123.548251	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+Hac-H"	59.013851
"1505388"	591.281051	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Hac-H"	59.013851
"967460"	599.247351	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-H+NaCOOH"	66.980151
"122933"	567.236602	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+2Cl"	69.938804
"560303"	833.370202	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+2Cl"	69.938804
"1033481"	301.103002	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2Cl"	69.938804
"1249775"	611.186085	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Br"	78.918885
"1306753"	613.242072	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Cl+HCOOH"	80.974872
"1321333"	635.224029	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Cl+NaCOOH"	102.956829
"912146"	645.252786	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M-H+CF3COOH"	112.985586
"1299675"	681.229464	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Cl+CF3COOH"	148.962264
"1374555"	497.254524	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H-2H2O"	-35.012676
"1389866"	515.2645	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H-H2O"	-17.0027
"286271"	1065.541676	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+H"	1.007276
"678691"	1597.808876	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+H"	1.007276
"1357229"	533.274476	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H"	1.007276
"126832"	533.274476	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+2H"	2.014552
"577340"	799.408076	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+2H"	2.014552
"1044314"	267.140876	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2H"	2.014552
"215149"	355.852076	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+3H"	3.021828
"656895"	533.274476	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+3H"	3.021828
"1172833"	178.429676	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+3H"	3.021828
"437569"	1082.568223	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+NH4"	18.033823
"798930"	1614.835423	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+NH4"	18.033823
"1691250"	550.301023	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+NH4"	18.033823
"337340"	541.7877495	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+H+NH4"	19.041099
"727574"	807.9213495	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+H+NH4"	19.041099
"1482489"	275.6541495	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H+NH4"	19.041099
"398982"	1087.523618	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+Na"	22.989218
"759976"	1619.790818	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+Na"	22.989218
"1609168"	555.256418	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Na"	22.989218
"320298"	544.265447	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+H+Na"	23.996494
"717094"	810.399047	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+H+Na"	23.996494
"1473098"	278.131847	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H+Na"	23.996494
"1060873"	185.75699	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2H+Na"	25.00377
"1261458"	565.300686	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+CH3OH+H"	33.033486
"378939"	1103.497558	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+K"	38.963158
"740296"	1635.764758	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+K"	38.963158
"1540646"	571.230358	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+K"	38.963158
"303536"	552.252417	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+H+K"	39.970434
"706171"	818.386017	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+H+K"	39.970434
"1457445"	286.118817	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H+K"	39.970434
"250421"	1106.568226	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+ACN+H"	42.033826
"1220942"	574.301026	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+ACN+H"	42.033826
"1208714"	287.654151	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+ACN+2H"	43.041102
"198789"	1109.50556	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+2Na-H"	44.97116
"643573"	1641.77276	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+2Na-H"	44.97116
"1145130"	577.23836	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2Na-H"	44.97116
"180765"	555.256418	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+2Na"	45.978436
"617772"	821.390018	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+2Na"	45.978436
"1117145"	289.122818	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2Na"	45.978436
"1402246"	193.084304	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H+2Na"	46.985712
"1431444"	579.279946	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H+HCOOH"	47.012746
"223693"	560.28944	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+3H2O+2H"	56.04448
"1512848"	593.33199	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+IsoProp+H"	61.06479
"410346"	563.243388	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+Na+K"	61.952376
"770613"	829.376988	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+Na+K"	61.952376
"1666458"	297.109788	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Na+K"	61.952376
"262951"	1128.550168	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+ACN+Na"	64.015768
"1234581"	596.282968	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+ACN+Na"	64.015768
"1724193"	596.306493	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+NH4+HCOOH"	64.039293
"1187723"	200.411618	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+3Na"	68.967654
"1656519"	601.261888	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Na+HCOOH"	68.994688
"164471"	1141.45344	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+2K-H"	76.91904
"598564"	1673.72064	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+2K-H"	76.91904
"1090733"	609.18624	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2K-H"	76.91904
"144270"	571.230358	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"2M+2K"	77.926316
"584921"	837.363958	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"3M+2K"	77.926316
"1077092"	305.096758	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2K"	77.926316
"1109210"	611.200792	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2K+H"	78.933592
"1350711"	611.288407	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+DMSO+H"	79.021207
"1020819"	615.327576	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2ACN+H"	83.060376
"1539761"	616.321208	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+IsoProp+Na+H"	84.054008
"1003933"	308.167426	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+2ACN+2H"	84.067652
"1600863"	617.235828	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+K+HCOOH"	84.968628
"1427616"	647.267338	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+H+CF3COOH"	115.000138
"1153528"	328.680701	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+3ACN+2H"	125.094202
"1707454"	664.293885	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+NH4+CF3COOH"	132.026685
"1636544"	669.24928	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+Na+CF3COOH"	136.98208
"1574383"	685.22322	"C09716"	"Roridin A"	"C29H40O9"	"532.2672"	"M+K+CF3COOH"	152.95602
"811311"	266.1518	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M"	0
"984843"	247.13341	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-H2O-H"	-19.01839
"67618"	176.427257333333	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M-3H"	-3.021828
"516293"	265.144524	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M-3H"	-3.021828
"894097"	87.7099906666667	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-3H"	-3.021828
"15440"	265.144524	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M-2H"	-2.014552
"455031"	398.220424	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M-2H"	-2.014552
"829670"	132.068624	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-2H"	-2.014552
"89661"	531.296324	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M-H"	-1.007276
"532746"	797.448124	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M-H"	-1.007276
"908845"	265.144524	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-H"	-1.007276
"58116"	548.322871	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M-2H+NH4"	16.019271
"495495"	814.474671	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M-2H+NH4"	16.019271
"876577"	282.171071	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-2H+NH4"	16.019271
"35733"	553.278266	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M-2H+Na"	20.974666
"478573"	819.430066	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M-2H+Na"	20.974666
"851635"	287.126466	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-2H+Na"	20.974666
"1619587"	287.126466	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Na-2H"	20.974666
"99521"	283.132863	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M-H+Cl"	33.962126
"546372"	416.208763	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M-H+Cl"	33.962126
"939890"	150.056963	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-H+Cl"	33.962126
"275166"	567.273002	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+Cl"	34.969402
"671963"	833.424802	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+Cl"	34.969402
"1279990"	301.121202	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Cl"	34.969402
"25831"	569.252206	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M-2H+K"	36.948606
"467581"	835.404006	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M-2H+K"	36.948606
"842101"	303.100406	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-2H+K"	36.948606
"1563401"	303.100406	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+K-2H"	36.948606
"950189"	311.149994	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-H+HCOOH"	44.998194
"369501"	577.301801	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+HCOOH-H"	44.998201
"356666"	591.317451	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+Hac-H"	59.013851
"1504405"	325.165651	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Hac-H"	59.013851
"969758"	333.131951	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-H+NaCOOH"	66.980151
"123042"	301.121202	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+2Cl"	69.938804
"557133"	434.197102	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+2Cl"	69.938804
"1036798"	168.045302	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2Cl"	69.938804
"1253166"	345.070685	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Br"	78.918885
"1311239"	347.126672	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Cl+HCOOH"	80.974872
"1328734"	369.108629	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Cl+NaCOOH"	102.956829
"919793"	379.137386	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M-H+CF3COOH"	112.985586
"1299786"	415.114064	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Cl+CF3COOH"	148.962264
"1372480"	231.139124	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H-2H2O"	-35.012676
"1388883"	249.1491	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H-H2O"	-17.0027
"288570"	533.310876	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+H"	1.007276
"678802"	799.462676	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+H"	1.007276
"1358432"	267.159076	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H"	1.007276
"131319"	267.159076	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+2H"	2.014552
"577453"	400.234976	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+2H"	2.014552
"1047341"	134.083176	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2H"	2.014552
"213072"	178.441809333333	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+3H"	3.021828
"657005"	267.159076	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+3H"	3.021828
"1174037"	89.7245426666667	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+3H"	3.021828
"436950"	550.337423	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+NH4"	18.033823
"798309"	816.489223	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+NH4"	18.033823
"1691360"	284.185623	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+NH4"	18.033823
"336357"	275.6723495	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+H+NH4"	19.041099
"727684"	408.7482495	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+H+NH4"	19.041099
"1483693"	142.5964495	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H+NH4"	19.041099
"399093"	555.292818	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+Na"	22.989218
"761178"	821.444618	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+Na"	22.989218
"1610372"	289.141018	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Na"	22.989218
"321502"	278.150047	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+H+Na"	23.996494
"719388"	411.225947	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+H+Na"	23.996494
"1475395"	145.074147	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H+Na"	23.996494
"1059891"	97.0518566666667	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2H+Na"	25.00377
"1264850"	299.185286	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+CH3OH+H"	33.033486
"382328"	571.266758	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+K"	38.963158
"744414"	837.418558	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+K"	38.963158
"1542459"	305.114958	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+K"	38.963158
"304739"	286.137017	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+H+K"	39.970434
"704459"	419.212917	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+H+K"	39.970434
"1458648"	153.061117	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H+K"	39.970434
"250167"	574.337426	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+ACN+H"	42.033826
"1222146"	308.185626	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+ACN+H"	42.033826
"1209789"	154.596451	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+ACN+2H"	43.041102
"201086"	577.27476	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+2Na-H"	44.97116
"643934"	843.42656	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+2Na-H"	44.97116
"1146963"	311.12296	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2Na-H"	44.97116
"187436"	289.141018	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+2Na"	45.978436
"621893"	422.216918	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+2Na"	45.978436
"1119929"	156.065118	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2Na"	45.978436
"1401991"	104.379170666667	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H+2Na"	46.985712
"1434109"	313.164546	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H+HCOOH"	47.012746
"223803"	294.17404	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+3H2O+2H"	56.04448
"1511866"	327.21659	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+IsoProp+H"	61.06479
"413007"	297.127988	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+Na+K"	61.952376
"770968"	430.203888	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+Na+K"	61.952376
"1666812"	164.052088	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Na+K"	61.952376
"263062"	596.319368	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+ACN+Na"	64.015768
"1235771"	330.167568	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+ACN+Na"	64.015768
"1726852"	330.191093	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+NH4+HCOOH"	64.039293
"1188926"	111.706484666667	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+3Na"	68.967654
"1655536"	335.146488	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Na+HCOOH"	68.994688
"163487"	609.22264	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+2K-H"	76.91904
"603050"	875.37444	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+2K-H"	76.91904
"1088655"	343.07084	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2K-H"	76.91904
"146566"	305.114958	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"2M+2K"	77.926316
"583938"	438.190858	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"3M+2K"	77.926316
"1076109"	172.039058	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2K"	77.926316
"1110413"	345.085392	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2K+H"	78.933592
"1346812"	345.173007	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+DMSO+H"	79.021207
"1019590"	349.212176	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2ACN+H"	83.060376
"1539178"	350.205808	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+IsoProp+Na+H"	84.054008
"1004164"	175.109726	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+2ACN+2H"	84.067652
"1600974"	351.120428	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+K+HCOOH"	84.968628
"1427726"	381.151938	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+H+CF3COOH"	115.000138
"1153638"	195.623001	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+3ACN+2H"	125.094202
"1707564"	398.178485	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+NH4+CF3COOH"	132.026685
"1637747"	403.13388	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+Na+CF3COOH"	136.98208
"1574493"	419.10782	"C09717"	"Rugosal A;Rugosal"	"C15H22O4"	"266.1518"	"M+K+CF3COOH"	152.95602
"804860"	204.1878	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M"	0
"975472"	185.16941	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"63712"	135.117924	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"503399"	203.180524	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"888374"	67.055324	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"8043"	203.180524	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"451979"	305.274424	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"827593"	101.086624	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"82115"	407.368324	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"524957"	611.556124	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"902759"	203.180524	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"58226"	424.394871	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"494512"	628.582671	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874501"	220.207071	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"38031"	429.350266	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"477590"	633.538066	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"851745"	225.162466	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1621278"	225.162466	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"94411"	221.168863	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"534382"	323.262763	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"936718"	119.074963	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"276369"	443.345002	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670980"	647.532802	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1277914"	239.157202	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"25941"	445.324206	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"466598"	649.512006	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"841118"	241.136406	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1563511"	241.136406	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"949206"	249.185994	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"369611"	453.373801	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356776"	467.389451	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504515"	263.201651	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967680"	271.167951	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120602"	239.157202	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"557243"	341.251102	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1033701"	137.063302	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1249995"	283.106685	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1306976"	285.162672	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1325563"	307.144629	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"914798"	317.173386	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1299895"	353.150064	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1379148"	169.175124	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1387900"	187.1851	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"288680"	409.382876	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676238"	613.570676	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1355262"	205.195076	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H"	1.007276
"127055"	205.195076	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"578652"	307.288976	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1040890"	103.101176	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"212088"	137.132476	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"653835"	205.195076	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1173053"	69.069876	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435238"	426.409423	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798419"	630.597223	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692563"	222.221623	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343030"	213.7083495	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"726702"	315.8022495	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1484896"	111.6144495	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"400296"	431.364818	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"763475"	635.552618	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609388"	227.177018	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"322705"	216.186047	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"719499"	318.279947	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1475505"	114.092147	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1057816"	76.39719	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1263867"	237.221286	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381346"	447.338758	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"743432"	651.526558	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541841"	243.150958	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+K"	38.963158
"303756"	224.173017	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"705662"	326.266917	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1454385"	122.079117	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246266"	450.409426	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1220069"	246.221626	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209464"	123.614451	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"201196"	453.34676	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643063"	657.53456	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146691"	249.15896	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187425"	227.177018	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"619086"	329.270918	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1120039"	125.083118	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1401010"	83.724504	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1434219"	251.200546	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"226102"	232.21004	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510883"	265.25259	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"411661"	235.163988	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"770592"	337.257888	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1665802"	133.070088	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260986"	472.391368	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1235517"	268.203568	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1722583"	268.227093	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190128"	91.051818	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1654552"	273.182488	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161410"	485.29464	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"600973"	689.48244	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1086577"	281.10684	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"144489"	243.150958	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"587327"	345.244858	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1074032"	141.057058	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1109430"	283.121392	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345815"	283.209007	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021039"	287.248176	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539693"	288.241808	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004881"	144.127726	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1601084"	289.156428	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425648"	319.187938	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1154841"	164.641001	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1707674"	336.214485	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637858"	341.16988	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575696"	357.14382	"C09718"	"beta-Santalene;(-)-beta-Santalene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804970"	220.1827	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M"	0
"975582"	201.16431	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"63457"	145.781190666667	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"505575"	219.175424	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"889577"	72.3869573333333	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"8153"	219.175424	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"452089"	329.266774	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"827703"	109.084074	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"83318"	439.358124	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"531386"	659.540824	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"902869"	219.175424	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"52138"	456.384671	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"493529"	676.567371	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"872425"	236.201971	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"39234"	461.340066	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"477700"	681.522766	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"851855"	241.157366	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1619565"	241.157366	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"95363"	237.163763	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"535650"	347.255113	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"935734"	127.072413	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"273197"	475.334802	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"665621"	695.517502	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1281305"	255.152102	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"17664"	477.314006	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"463423"	697.496706	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"841225"	257.131306	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1564714"	257.131306	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"949316"	265.180894	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"373001"	485.363601	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"353606"	499.379251	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1504625"	279.196551	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"967790"	287.162851	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"119983"	255.152102	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"557353"	365.243452	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1032714"	145.060752	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1250105"	299.101585	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1307086"	301.157572	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1324581"	323.139529	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"918919"	333.168286	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1293445"	369.144964	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1375978"	185.170024	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1385824"	203.18	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"286604"	441.372676	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"675940"	661.555376	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1352092"	221.189976	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"127892"	221.189976	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"575482"	331.281326	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1042092"	111.098626	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"214381"	147.795742666667	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"654671"	221.189976	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1174618"	74.4015093333333	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"436440"	458.399223	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"799258"	678.581923	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1691580"	238.216523	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"343139"	229.7032495	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"735559"	339.7945995	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1489379"	119.6118995	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"401500"	463.354618	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"767963"	683.537318	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1609499"	243.171918	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"325001"	232.180947	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"721190"	342.272297	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1474522"	122.089597	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1061206"	81.7288233333333	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1265070"	253.216186	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"380362"	479.328558	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"742449"	699.511258	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1542315"	259.145858	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"304594"	240.167917	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"705772"	350.259267	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1454493"	130.076567	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"246375"	482.399226	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1223459"	262.216526	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1208071"	131.611901	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"200941"	485.33656	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"642444"	705.51926	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1144003"	265.15386	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"186928"	243.171918	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"619196"	353.263268	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1119056"	133.080568	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1403672"	89.0561373333333	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1434694"	267.195446	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"227304"	248.20494	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1513179"	281.24749	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"411771"	251.158888	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"773859"	361.250238	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1666184"	141.067538	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"255618"	504.381168	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1229424"	284.198468	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1721592"	284.221993	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1184759"	96.3834513333333	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1654662"	289.177388	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"164802"	517.28444	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"604362"	737.46714	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1089602"	297.10174	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"148607"	259.145858	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"587073"	369.237208	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1076330"	149.054508	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1109540"	299.116292	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1345925"	299.203907	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1020176"	303.243076	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1539275"	304.236708	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1004503"	152.125176	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1601194"	305.151328	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1425758"	335.182838	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1158231"	172.638451	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1707784"	352.209385	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1637968"	357.16478	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1574713"	373.13872	"C09719"	"alpha-Santalol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"808360"	220.1827	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M"	0
"975813"	201.16431	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"64663"	145.781190666667	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"505322"	219.175424	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"889687"	72.3869573333333	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"10450"	219.175424	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"452929"	329.266774	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"825625"	109.084074	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"81242"	439.358124	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"525177"	659.540824	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"901884"	219.175424	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"53342"	456.384671	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"494732"	676.567371	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"872535"	236.201971	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"42625"	461.340066	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"477810"	681.522766	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"852329"	241.157366	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1620039"	241.157366	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"95228"	237.163763	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"534948"	347.255113	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"937668"	127.072413	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"272214"	475.334802	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"665731"	695.517502	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1282508"	255.152102	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"22879"	477.314006	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"460253"	697.496706	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"844617"	257.131306	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1565918"	257.131306	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"949428"	265.180894	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"367641"	485.363601	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"350436"	499.379251	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1502549"	279.196551	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"963527"	287.162851	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"119000"	255.152102	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"557464"	365.243452	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1029545"	145.060752	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1250215"	299.101585	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1310476"	301.157572	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1327971"	323.139529	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"917936"	333.168286	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1293555"	369.144964	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1376088"	185.170024	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1385934"	203.18	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"284648"	441.372676	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"676575"	661.555376	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1352323"	221.189976	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"129824"	221.189976	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"569031"	331.281326	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1040014"	111.098626	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"215220"	147.795742666667	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"655145"	221.189976	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1176185"	74.4015093333333	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"438737"	458.399223	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"800466"	678.581923	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1695698"	238.216523	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"345194"	229.7032495	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"737736"	339.7945995	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1490220"	119.6118995	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"407688"	463.354618	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"769168"	683.537318	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1613982"	243.171918	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"326205"	232.180947	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"722273"	342.272297	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1475121"	122.089597	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1064596"	81.7288233333333	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1269554"	253.216186	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"381566"	479.328558	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"743287"	699.511258	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1543154"	259.145858	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"304704"	240.167917	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"705155"	350.259267	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1453511"	130.076567	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"244299"	482.399226	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1220289"	262.216526	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1208911"	131.611901	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"201053"	485.33656	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"643162"	705.51926	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1145206"	265.15386	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"184122"	243.171918	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"620035"	353.263268	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1118801"	133.080568	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1404511"	89.0561373333333	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1435534"	267.195446	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"228508"	248.20494	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1516569"	281.24749	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417349"	251.158888	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"776157"	361.250238	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1669208"	141.067538	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"257914"	504.381168	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1228803"	284.198468	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1716234"	284.221993	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1183776"	96.3834513333333	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1655865"	289.177388	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"165641"	517.28444	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"603379"	737.46714	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1090076"	297.10174	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"148716"	259.145858	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"587547"	369.237208	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1072064"	149.054508	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1108556"	299.116292	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1340567"	299.203907	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1020287"	303.243076	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1538777"	304.236708	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1004249"	152.125176	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1602684"	305.151328	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1428055"	335.182838	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1157248"	172.638451	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1711174"	352.209385	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1643545"	357.16478	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1574823"	373.13872	"C09720"	"beta-Santalol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"805190"	234.162	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M"	0
"975801"	215.14361	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"64043"	155.100724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"506525"	233.154724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"887610"	77.046724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"10560"	233.154724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"446839"	350.235724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"825735"	116.073724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"83902"	467.316724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"528566"	701.478724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"900900"	233.154724	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"54181"	484.343271	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"494842"	718.505271	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"873738"	250.181271	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"42735"	489.298666	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"478284"	723.460666	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"853168"	255.136666	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1620150"	255.136666	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"95580"	251.143063	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"535626"	368.224063	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"937047"	134.062063	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"272324"	503.293402	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"663654"	737.455402	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1280430"	269.131402	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"20802"	505.272606	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"461456"	739.434606	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"843633"	271.110606	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1564933"	271.110606	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"950631"	279.160194	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"367750"	513.322201	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"350546"	527.337851	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1502659"	293.175851	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"962544"	301.142151	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"121296"	269.131402	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"557573"	386.212402	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1028562"	152.050402	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1249234"	313.080885	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1313866"	315.136872	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1326988"	337.118829	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"919139"	347.147586	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1293665"	383.124264	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1369638"	199.149324	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1386044"	217.1593	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"285001"	469.331276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"676688"	703.493276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1352312"	235.169276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H"	1.007276
"132120"	235.169276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"570597"	352.250276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1041945"	118.088276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"215692"	157.115276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"654162"	235.169276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1177387"	79.061276	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"437755"	486.357823	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"800089"	720.519823	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1695687"	252.195823	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"344818"	243.6825495	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"737239"	360.7635495	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1489601"	126.6015495	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"407434"	491.313218	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"768184"	725.475218	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1613000"	257.151218	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"326316"	246.160247	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"719830"	363.241247	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1475715"	129.079247	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1065799"	86.38859	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1267476"	267.195486	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"382769"	507.287158	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"743761"	741.449158	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1545086"	273.125158	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+K"	38.963158
"304085"	254.147217	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"705264"	371.228217	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1453621"	137.066217	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"245504"	510.357826	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1220400"	276.195826	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1204283"	138.601551	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"200434"	513.29516	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"642665"	747.45716	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1144952"	279.13316	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"184596"	257.151218	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"620145"	374.232218	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1120370"	140.070218	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1407902"	93.715904	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1440017"	281.174746	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"231898"	262.18424	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1518868"	295.22679	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"420740"	265.138188	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"778454"	382.219188	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1672600"	148.057188	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"259117"	532.339768	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1231464"	298.177768	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1717801"	298.201293	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1184249"	101.043218	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1657068"	303.156688	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"162833"	545.24304	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"601301"	779.40504	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1090189"	311.08104	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"148097"	273.125158	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"587658"	390.206158	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1073267"	156.044158	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1113528"	313.095592	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1346145"	313.183207	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1021128"	317.222376	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1539617"	318.216008	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1004847"	159.114826	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1602613"	319.130628	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1428165"	349.162138	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1157358"	179.628101	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1705816"	366.188685	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1643655"	371.14408	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1574933"	387.11802	"C09721"	"Sclerosporin"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"805300"	238.1933	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M"	0
"974299"	219.17491	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"63098"	157.788257333333	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"502859"	237.186024	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"886627"	78.3904906666667	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"13586"	237.186024	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"448043"	356.282674	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"825845"	118.089374	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"81462"	475.379324	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"525397"	713.572624	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"899917"	237.186024	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"53198"	492.405871	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"494952"	730.599171	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"873848"	254.212571	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"43938"	497.361266	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"476207"	735.554566	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"851821"	259.167966	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1619531"	259.167966	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"95688"	255.174363	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"535130"	374.271013	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"937157"	136.077713	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"268180"	511.356002	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"664856"	749.549302	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1280540"	273.162702	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"19817"	513.335206	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"457554"	751.528506	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"838274"	275.141906	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1557022"	275.141906	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"946364"	283.191494	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"365673"	521.384801	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"350656"	535.400451	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1499489"	297.207151	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"963017"	305.173451	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"121406"	273.162702	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"557683"	392.259352	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1029765"	154.066052	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1248251"	317.112185	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1310696"	319.168172	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1327098"	341.150129	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"919249"	351.178886	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1293775"	387.155564	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1369748"	203.180624	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1386518"	221.1906	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"284382"	477.393876	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"678256"	715.587176	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1352419"	239.200576	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"129680"	239.200576	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"569614"	358.297226	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1038775"	120.103926	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"214709"	159.802809333333	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"657184"	239.200576	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1174585"	80.4050426666667	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"439937"	494.420423	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"801098"	732.613723	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1696916"	256.227123	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"345674"	247.7138495	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"738244"	366.8104995	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1492551"	128.6171995	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"408076"	499.375818	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"769680"	737.569118	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1615298"	261.182518	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"327886"	250.191547	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"722014"	369.288197	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1475220"	131.094897	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1068262"	87.7323566666667	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1270870"	271.226786	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"390535"	515.349758	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"746062"	753.543058	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1544104"	277.156458	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"304195"	258.178517	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"703186"	377.275167	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1460660"	139.081867	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"250356"	518.420426	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1223791"	280.227126	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1208768"	140.617201	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"201637"	521.35776	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"641557"	759.55106	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1145062"	283.16446	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"184706"	261.182518	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"619891"	380.279168	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1119751"	142.085868	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1405826"	95.0596706666667	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1436848"	285.206046	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"234561"	266.21554	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1521165"	299.25809	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"421943"	269.169488	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"778564"	388.266138	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1672710"	150.072838	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"258134"	540.402368	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1233032"	302.209068	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1719733"	302.232593	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1184359"	102.386984666667	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1654985"	307.187988	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"161850"	553.30564	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"601411"	791.49894	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1088113"	315.11234	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"148207"	277.156458	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"587768"	396.253108	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1071191"	158.059808	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1112787"	317.126892	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1344069"	317.214507	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1021076"	321.253676	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1539608"	322.247308	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"1005530"	161.130476	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1602501"	323.161928	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1427911"	353.193438	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1156375"	181.643751	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1705926"	370.219985	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1643765"	375.17538	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1575043"	391.14932	"C09722"	"Seiricardine A"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"811971"	204.1878	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M"	0
"975662"	185.16941	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64997"	135.117924	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"508933"	203.180524	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"886737"	67.055324	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"12967"	203.180524	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"448153"	305.274424	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"825955"	101.086624	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"81572"	407.368324	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"520522"	611.556124	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"898203"	203.180524	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"49661"	424.394871	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"496155"	628.582671	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873958"	220.207071	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"36393"	429.350266	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"471599"	633.538066	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"849128"	225.162466	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1618823"	225.162466	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"95795"	221.168863	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536450"	323.262763	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"937267"	119.074963	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268169"	443.345002	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"663873"	647.532802	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280650"	239.157202	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"16645"	445.324206	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459488"	649.512006	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838384"	241.136406	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1560778"	241.136406	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"943193"	249.185994	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"365783"	453.373801	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"347116"	467.389451	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499599"	263.201651	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"960576"	271.167951	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"118235"	239.157202	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"561076"	341.251102	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032065"	137.063302	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1248361"	283.106685	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1310806"	285.162672	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1327208"	307.144629	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921546"	317.173386	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1298260"	353.150064	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1368401"	169.175124	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1389545"	187.1851	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"285221"	409.382876	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676302"	613.570676	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1353628"	205.195076	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"127606"	205.195076	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"569361"	307.288976	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039981"	103.101176	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"215913"	137.132476	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"657294"	205.195076	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1176875"	69.069876	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436875"	426.409423	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"791308"	630.597223	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1696518"	222.221623	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"344549"	213.7083495	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737462"	315.8022495	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492605"	111.6144495	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"408484"	431.364818	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"769822"	635.552618	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1618340"	227.177018	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"329458"	216.186047	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"722703"	318.279947	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1476957"	114.092147	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1067112"	76.39719	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268791"	237.221286	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"390645"	447.338758	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"749452"	651.526558	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1544944"	243.150958	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"307585"	224.173017	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704755"	326.266917	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1459312"	122.079117	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249736"	450.409426	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1223901"	246.221626	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208515"	123.614451	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202477"	453.34676	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643130"	657.53456	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1143351"	249.15896	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"186155"	227.177018	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"625105"	329.270918	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1125694"	125.083118	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1409216"	83.724504	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1441330"	251.200546	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"235402"	232.21004	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522368"	265.25259	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"423150"	235.163988	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"779769"	337.257888	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1677195"	133.070088	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260431"	472.391368	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1233872"	268.203568	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719479"	268.227093	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1186292"	91.051818	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1653273"	273.182488	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161962"	485.29464	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"598606"	689.48244	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1086764"	281.10684	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"144675"	243.150958	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"586785"	345.244858	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1071301"	141.057058	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1112172"	283.121392	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345271"	283.209007	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021310"	287.248176	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1538983"	288.241808	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1005518"	144.127726	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1602492"	289.156428	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427292"	319.187938	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1159401"	164.641001	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1712233"	336.214485	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1647155"	341.16988	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575153"	357.14382	"C09723"	"beta-Selinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"805520"	408.1937	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M"	0
"976496"	389.17531	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-H2O-H"	-19.01839
"64736"	271.121857333333	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M-3H"	-3.021828
"507950"	407.186424	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M-3H"	-3.021828
"890127"	135.057290666667	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-3H"	-3.021828
"13077"	407.186424	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M-2H"	-2.014552
"451543"	611.283274	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M-2H"	-2.014552
"827158"	203.089574	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-2H"	-2.014552
"81682"	815.380124	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M-H"	-1.007276
"520511"	1223.573824	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M-H"	-1.007276
"898312"	407.186424	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-H"	-1.007276
"49771"	832.406671	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M-2H+NH4"	16.019271
"496266"	1240.600371	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M-2H+NH4"	16.019271
"871882"	424.212971	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-2H+NH4"	16.019271
"35774"	837.362066	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M-2H+Na"	20.974666
"472411"	1245.555766	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M-2H+Na"	20.974666
"849115"	429.168366	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-2H+Na"	20.974666
"1618889"	429.168366	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Na-2H"	20.974666
"95543"	425.174763	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M-H+Cl"	33.962126
"535103"	629.271613	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M-H+Cl"	33.962126
"935191"	221.077913	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-H+Cl"	33.962126
"270467"	851.356802	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+Cl"	34.969402
"663983"	1259.550502	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+Cl"	34.969402
"1280760"	443.163102	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Cl"	34.969402
"21131"	853.336006	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M-2H+K"	36.948606
"459598"	1261.529706	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M-2H+K"	36.948606
"836307"	445.142306	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-2H+K"	36.948606
"1560888"	445.142306	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+K-2H"	36.948606
"945854"	453.191894	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-H+HCOOH"	44.998194
"365164"	861.385601	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+HCOOH-H"	44.998201
"348683"	875.401251	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+Hac-H"	59.013851
"1493505"	467.207551	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Hac-H"	59.013851
"959588"	475.173851	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-H+NaCOOH"	66.980151
"111047"	443.163102	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+2Cl"	69.938804
"555717"	647.259952	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+2Cl"	69.938804
"1034360"	239.066252	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2Cl"	69.938804
"1248471"	487.112585	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Br"	78.918885
"1310916"	489.168572	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Cl+HCOOH"	80.974872
"1326224"	511.150529	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Cl+NaCOOH"	102.956829
"924572"	521.179286	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M-H+CF3COOH"	112.985586
"1296183"	557.155964	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Cl+CF3COOH"	148.962264
"1368511"	373.181024	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H-2H2O"	-35.012676
"1389655"	391.191	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H-H2O"	-17.0027
"285331"	817.394676	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+H"	1.007276
"677019"	1225.588376	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+H"	1.007276
"1353738"	409.200976	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H"	1.007276
"128080"	409.200976	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+2H"	2.014552
"569471"	613.297826	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+2H"	2.014552
"1039363"	205.104126	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2H"	2.014552
"208364"	273.136409333333	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+3H"	3.021828
"645735"	409.200976	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+3H"	3.021828
"1172612"	137.071842666667	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+3H"	3.021828
"428230"	834.421223	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+NH4"	18.033823
"793598"	1242.614923	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+NH4"	18.033823
"1688838"	426.227523	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+NH4"	18.033823
"333104"	417.7142495	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+H+NH4"	19.041099
"729539"	621.8110995	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+H+NH4"	19.041099
"1491388"	213.6173995	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H+NH4"	19.041099
"408007"	839.376618	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+Na"	22.989218
"769924"	1247.570318	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+Na"	22.989218
"1618406"	431.182918	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Na"	22.989218
"329961"	420.191947	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+H+Na"	23.996494
"722749"	624.288797	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+H+Na"	23.996494
"1476910"	216.095097	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H+Na"	23.996494
"1065645"	144.399156666667	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2H+Na"	25.00377
"1269266"	441.227186	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+CH3OH+H"	33.033486
"387112"	855.350558	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+K"	38.963158
"750657"	1263.544258	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+K"	38.963158
"1542868"	447.156858	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+K"	38.963158
"304416"	428.178917	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+H+K"	39.970434
"705959"	632.275767	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+H+K"	39.970434
"1460151"	224.082067	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H+K"	39.970434
"250209"	858.421226	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+ACN+H"	42.033826
"1224740"	450.227526	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+ACN+H"	42.033826
"1208989"	225.617401	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+ACN+2H"	43.041102
"202466"	861.35856	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+2Na-H"	44.97116
"643362"	1269.55226	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+2Na-H"	44.97116
"1140544"	453.16486	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2Na-H"	44.97116
"185535"	431.182918	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+2Na"	45.978436
"625338"	635.279768	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+2Na"	45.978436
"1125804"	227.086068	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2Na"	45.978436
"1402766"	151.726470666667	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H+2Na"	46.985712
"1436337"	455.206446	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H+HCOOH"	47.012746
"234175"	436.21594	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+3H2O+2H"	56.04448
"1524039"	469.25849	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+IsoProp+H"	61.06479
"423870"	439.169888	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+Na+K"	61.952376
"779879"	643.266738	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+Na+K"	61.952376
"1675117"	235.073038	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Na+K"	61.952376
"261635"	880.403168	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+ACN+Na"	64.015768
"1233618"	472.209468	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+ACN+Na"	64.015768
"1718861"	472.232993	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+NH4+HCOOH"	64.039293
"1188586"	159.053784666667	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+3Na"	68.967654
"1655206"	477.188388	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Na+HCOOH"	68.994688
"159150"	893.30644	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+2K-H"	76.91904
"599809"	1301.50014	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+2K-H"	76.91904
"1088333"	485.11274	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2K-H"	76.91904
"144421"	447.156858	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"2M+2K"	77.926316
"585803"	651.253708	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"3M+2K"	77.926316
"1071411"	243.060008	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2K"	77.926316
"1112281"	487.127292	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2K+H"	78.933592
"1344288"	487.214907	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+DMSO+H"	79.021207
"1020359"	491.254076	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2ACN+H"	83.060376
"1538605"	492.247708	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+IsoProp+Na+H"	84.054008
"1001770"	246.130676	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+2ACN+2H"	84.067652
"1602482"	493.162328	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+K+HCOOH"	84.968628
"1426309"	523.193838	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+H+CF3COOH"	115.000138
"1160604"	266.643951	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+3ACN+2H"	125.094202
"1709427"	540.220385	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+NH4+CF3COOH"	132.026685
"1649696"	545.17578	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+Na+CF3COOH"	136.98208
"1575263"	561.14972	"C09724"	"Lonchocarpol A;Senegalensin;68-Diprenylnaringenin"	"C25H28O5"	"408.1937"	"M+K+CF3COOH"	152.95602
"805630"	338.2093	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M"	0
"975999"	319.19091	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-H2O-H"	-19.01839
"64239"	224.465590666667	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M-3H"	-3.021828
"508060"	337.202024	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M-3H"	-3.021828
"888050"	111.729157333333	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-3H"	-3.021828
"11000"	337.202024	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M-2H"	-2.014552
"451653"	506.306674	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M-2H"	-2.014552
"827268"	168.097374	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-2H"	-2.014552
"81792"	675.411324	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M-H"	-1.007276
"520621"	1013.620624	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M-H"	-1.007276
"898058"	337.202024	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-H"	-1.007276
"48788"	692.437871	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M-2H+NH4"	16.019271
"494189"	1030.647171	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M-2H+NH4"	16.019271
"873085"	354.228571	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-2H+NH4"	16.019271
"35520"	697.393266	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M-2H+Na"	20.974666
"471912"	1035.602566	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M-2H+Na"	20.974666
"849590"	359.183966	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-2H+Na"	20.974666
"1619492"	359.183966	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Na-2H"	20.974666
"95653"	355.190363	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M-H+Cl"	33.962126
"535213"	524.295013	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M-H+Cl"	33.962126
"928739"	186.085713	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-H+Cl"	33.962126
"270577"	711.388002	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+Cl"	34.969402
"665186"	1049.597302	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+Cl"	34.969402
"1275402"	373.178702	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Cl"	34.969402
"17108"	713.367206	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M-2H+K"	36.948606
"457030"	1051.576506	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M-2H+K"	36.948606
"833740"	375.157906	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-2H+K"	36.948606
"1558807"	375.157906	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+K-2H"	36.948606
"944870"	383.207494	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-H+HCOOH"	44.998194
"364907"	721.416801	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+HCOOH-H"	44.998201
"348065"	735.432451	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+Hac-H"	59.013851
"1495072"	397.223151	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Hac-H"	59.013851
"959698"	405.189451	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-H+NaCOOH"	66.980151
"110914"	373.178702	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+2Cl"	69.938804
"551809"	542.283352	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+2Cl"	69.938804
"1031190"	204.074052	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2Cl"	69.938804
"1249672"	417.128185	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Br"	78.918885
"1305921"	419.184172	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Cl+HCOOH"	80.974872
"1326333"	441.166129	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Cl+NaCOOH"	102.956829
"917392"	451.194886	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M-H+CF3COOH"	112.985586
"1291919"	487.171564	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Cl+CF3COOH"	148.962264
"1370079"	303.196624	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H-2H2O"	-35.012676
"1386485"	321.2066	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H-H2O"	-17.0027
"283618"	677.425876	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+H"	1.007276
"676518"	1015.635176	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+H"	1.007276
"1353118"	339.216576	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H"	1.007276
"127463"	339.216576	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+2H"	2.014552
"569581"	508.321226	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+2H"	2.014552
"1039473"	170.111926	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2H"	2.014552
"209567"	226.480142666667	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+3H"	3.021828
"648032"	339.216576	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+3H"	3.021828
"1173815"	113.743709333333	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+3H"	3.021828
"432713"	694.452423	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+NH4"	18.033823
"794801"	1032.661723	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+NH4"	18.033823
"1690041"	356.243123	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+NH4"	18.033823
"332850"	347.7298495	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+H+NH4"	19.041099
"730742"	516.8344995	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+H+NH4"	19.041099
"1482374"	178.6251995	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H+NH4"	19.041099
"397777"	699.407818	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+Na"	22.989218
"762047"	1037.617118	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+Na"	22.989218
"1615623"	361.198518	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Na"	22.989218
"328822"	350.207547	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+H+Na"	23.996494
"722685"	519.312197	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+H+Na"	23.996494
"1475675"	181.102897	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H+Na"	23.996494
"1064052"	121.071023333333	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2H+Na"	25.00377
"1269740"	371.242786	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+CH3OH+H"	33.033486
"388315"	715.381758	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+K"	38.963158
"746392"	1053.591058	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+K"	38.963158
"1543341"	377.172458	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+K"	38.963158
"301609"	358.194517	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+H+K"	39.970434
"704246"	527.299167	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+H+K"	39.970434
"1459777"	189.089867	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H+K"	39.970434
"249473"	718.452426	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+ACN+H"	42.033826
"1223395"	380.243126	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+ACN+H"	42.033826
"1207275"	190.625201	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+ACN+2H"	43.041102
"201969"	721.38976	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+2Na-H"	44.97116
"642742"	1059.59906	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+2Na-H"	44.97116
"1141748"	383.18046	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2Na-H"	44.97116
"185037"	361.198518	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+2Na"	45.978436
"625569"	530.303168	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+2Na"	45.978436
"1125914"	192.093868	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2Na"	45.978436
"1403969"	128.398337333333	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H+2Na"	46.985712
"1435718"	385.222046	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H+HCOOH"	47.012746
"234406"	366.23154	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+3H2O+2H"	56.04448
"1523075"	399.27409	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+IsoProp+H"	61.06479
"423859"	369.185488	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+Na+K"	61.952376
"782176"	538.290138	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+Na+K"	61.952376
"1675225"	200.080838	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Na+K"	61.952376
"262838"	740.434368	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+ACN+Na"	64.015768
"1235550"	402.225068	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+ACN+Na"	64.015768
"1718242"	402.248593	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+NH4+HCOOH"	64.039293
"1185053"	135.725651333333	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+3Na"	68.967654
"1654222"	407.203988	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Na+HCOOH"	68.994688
"158531"	753.33764	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+2K-H"	76.91904
"600648"	1091.54694	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+2K-H"	76.91904
"1088443"	415.12834	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2K-H"	76.91904
"144167"	377.172458	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"2M+2K"	77.926316
"587006"	546.277108	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"3M+2K"	77.926316
"1070428"	208.067808	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2K"	77.926316
"1111295"	417.142892	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2K+H"	78.933592
"1343305"	417.230507	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+DMSO+H"	79.021207
"1020469"	421.269676	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2ACN+H"	83.060376
"1538473"	422.263308	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+IsoProp+Na+H"	84.054008
"1001880"	211.138476	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+2ACN+2H"	84.067652
"1601859"	423.177928	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+K+HCOOH"	84.968628
"1425326"	453.209438	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+H+CF3COOH"	115.000138
"1157798"	231.651751	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+3ACN+2H"	125.094202
"1709537"	470.235985	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+NH4+CF3COOH"	132.026685
"1649563"	475.19138	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+Na+CF3COOH"	136.98208
"1575373"	491.16532	"C09725"	"Shiromodiol diacetate"	"C19H30O5"	"338.2093"	"M+K+CF3COOH"	152.95602
"805740"	488.1624	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M"	0
"975988"	469.14401	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-H2O-H"	-19.01839
"64228"	324.434324	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M-3H"	-3.021828
"508170"	487.155124	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M-3H"	-3.021828
"884880"	161.713524	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-3H"	-3.021828
"3454"	487.155124	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M-2H"	-2.014552
"442649"	731.236324	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M-2H"	-2.014552
"818263"	243.073924	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-2H"	-2.014552
"80069"	975.317524	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M-H"	-1.007276
"520367"	1463.479924	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M-H"	-1.007276
"896707"	487.155124	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-H"	-1.007276
"48898"	992.344071	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M-2H+NH4"	16.019271
"496486"	1480.506471	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M-2H+NH4"	16.019271
"874289"	504.181671	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-2H+NH4"	16.019271
"34901"	997.299466	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M-2H+Na"	20.974666
"474819"	1485.461866	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M-2H+Na"	20.974666
"849822"	509.137066	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-2H+Na"	20.974666
"1620695"	509.137066	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Na-2H"	20.974666
"96859"	505.143463	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M-H+Cl"	33.962126
"535688"	749.224663	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M-H+Cl"	33.962126
"933223"	261.062263	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-H+Cl"	33.962126
"271780"	1011.294202	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+Cl"	34.969402
"664203"	1499.456602	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+Cl"	34.969402
"1276605"	523.131802	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Cl"	34.969402
"19163"	1013.273406	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M-2H+K"	36.948606
"457628"	1501.435806	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M-2H+K"	36.948606
"834702"	525.111006	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-2H+K"	36.948606
"1558188"	525.111006	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+K-2H"	36.948606
"943517"	533.160594	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-H+HCOOH"	44.998194
"364652"	1021.323001	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+HCOOH-H"	44.998201
"349268"	1035.338651	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+Hac-H"	59.013851
"1495546"	547.176251	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Hac-H"	59.013851
"960172"	555.142551	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-H+NaCOOH"	66.980151
"113819"	523.131802	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+2Cl"	69.938804
"553011"	767.213002	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+2Cl"	69.938804
"1024003"	279.050602	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2Cl"	69.938804
"1245767"	567.081285	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Br"	78.918885
"1308944"	569.137272	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Cl+HCOOH"	80.974872
"1320975"	591.119229	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Cl+NaCOOH"	102.956829
"916407"	601.147986	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M-H+CF3COOH"	112.985586
"1288745"	637.124664	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Cl+CF3COOH"	148.962264
"1369457"	453.149724	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H-2H2O"	-35.012676
"1384405"	471.1597	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H-H2O"	-17.0027
"286644"	977.332076	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+H"	1.007276
"676262"	1465.494476	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+H"	1.007276
"1352129"	489.169676	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H"	1.007276
"126594"	489.169676	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+2H"	2.014552
"566526"	733.250876	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+2H"	2.014552
"1039213"	245.088476	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2H"	2.014552
"210040"	326.448876	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+3H"	3.021828
"648142"	489.169676	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+3H"	3.021828
"1168455"	163.728076	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+3H"	3.021828
"431729"	994.358623	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+NH4"	18.033823
"790537"	1482.521023	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+NH4"	18.033823
"1683587"	506.196223	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+NH4"	18.033823
"332590"	497.6829495	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+H+NH4"	19.041099
"730852"	741.7641495	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+H+NH4"	19.041099
"1480294"	253.6017495	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H+NH4"	19.041099
"401166"	999.314018	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+Na"	22.989218
"761063"	1487.476418	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+Na"	22.989218
"1614638"	511.151618	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Na"	22.989218
"324674"	500.160647	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+H+Na"	23.996494
"721594"	744.241847	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+H+Na"	23.996494
"1475290"	256.079447	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H+Na"	23.996494
"1064161"	171.05539	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2H+Na"	25.00377
"1270214"	521.195886	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+CH3OH+H"	33.033486
"386602"	1015.287958	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+K"	38.963158
"743222"	1503.450358	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+K"	38.963158
"1544181"	527.125558	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+K"	38.963158
"301719"	508.147617	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+H+K"	39.970434
"705449"	752.228817	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+H+K"	39.970434
"1460730"	264.066417	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H+K"	39.970434
"249705"	1018.358626	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+ACN+H"	42.033826
"1224235"	530.196226	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+ACN+H"	42.033826
"1207875"	265.601751	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+ACN+2H"	43.041102
"202686"	1021.29596	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+2Na-H"	44.97116
"642611"	1509.45836	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+2Na-H"	44.97116
"1145506"	533.13356	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2Na-H"	44.97116
"182960"	511.151618	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+2Na"	45.978436
"623613"	755.232818	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+2Na"	45.978436
"1126024"	267.070418	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2Na"	45.978436
"1404079"	178.382704	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H+2Na"	46.985712
"1435100"	535.175146	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H+HCOOH"	47.012746
"233541"	516.18464	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+3H2O+2H"	56.04448
"1523875"	549.22719	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+IsoProp+H"	61.06479
"420196"	519.138588	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+Na+K"	61.952376
"779004"	763.219788	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+Na+K"	61.952376
"1674606"	275.057388	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Na+K"	61.952376
"260761"	1040.340568	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+ACN+Na"	64.015768
"1233473"	552.178168	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+ACN+Na"	64.015768
"1718715"	552.201693	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+NH4+HCOOH"	64.039293
"1184435"	185.710018	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+3Na"	68.967654
"1654333"	557.157088	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Na+HCOOH"	68.994688
"159008"	1053.24384	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+2K-H"	76.91904
"600758"	1541.40624	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+2K-H"	76.91904
"1088550"	565.08144	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2K-H"	76.91904
"146464"	527.125558	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"2M+2K"	77.926316
"584927"	771.206758	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"3M+2K"	77.926316
"1070538"	283.044358	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2K"	77.926316
"1111405"	567.095992	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2K+H"	78.933592
"1343415"	567.183607	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+DMSO+H"	79.021207
"1021111"	571.222776	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2ACN+H"	83.060376
"1538704"	572.216408	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+IsoProp+Na+H"	84.054008
"1004055"	286.115026	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+2ACN+2H"	84.067652
"1602209"	573.131028	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+K+HCOOH"	84.968628
"1427988"	603.162538	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+H+CF3COOH"	115.000138
"1159001"	306.628301	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+3ACN+2H"	125.094202
"1709647"	620.189085	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+NH4+CF3COOH"	132.026685
"1644205"	625.14448	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+Na+CF3COOH"	136.98208
"1575483"	641.11842	"C09726"	"Dracorubin"	"C32H24O5"	"488.1624"	"M+K+CF3COOH"	152.95602
"812412"	290.079	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M"	0
"977195"	271.06061	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"67620"	192.378724	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"509373"	289.071724	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"893738"	95.685724	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"5751"	289.071724	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"445311"	434.111224	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"819834"	144.032224	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"80914"	579.150724	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"524853"	869.229724	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"897426"	289.071724	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"48519"	596.177271	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"498784"	886.256271	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"871116"	306.098271	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"39021"	601.132666	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"476393"	891.211666	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"852367"	311.053666	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1621901"	311.053666	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"98066"	307.060063	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"535437"	452.099563	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"934426"	162.020563	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"272254"	615.127402	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"664310"	905.206402	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1277809"	325.048402	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"20366"	617.106606	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"457493"	907.185606	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"834812"	327.027606	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1557205"	327.027606	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"944360"	335.077194	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"363669"	625.156201	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"350471"	639.171851	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1496749"	349.092851	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"962469"	357.059151	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"114296"	325.048402	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"551666"	470.087902	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1024843"	180.008902	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1243690"	368.997885	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1311241"	371.053872	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1325457"	393.035829	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"917610"	403.064586	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1291773"	439.041264	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1373578"	255.066324	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1387798"	273.0763	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"286754"	581.165276	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"677348"	871.244276	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1355160"	291.086276	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"127316"	291.086276	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"567244"	436.125776	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1038958"	146.046776	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"208692"	194.393276	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"648252"	291.086276	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1168565"	97.700276	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"427462"	598.191823	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"792834"	888.270823	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1684061"	308.112823	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"331971"	299.5995495	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"730960"	444.6390495	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1480768"	154.5600495	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"402368"	603.147218	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"762266"	893.226218	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1611466"	313.068218	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"325877"	302.077247	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"720485"	447.116747	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1475398"	157.037747	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1066456"	105.02759	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1272637"	323.112486	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"392303"	619.121158	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"747706"	909.200158	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1544655"	329.042158	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"301829"	310.064217	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"700451"	455.103717	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1459745"	165.024717	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"246164"	622.191826	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1222887"	332.112826	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1207495"	166.560051	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"201823"	625.12916	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"641745"	915.20816	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1145248"	335.05016	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"185257"	313.068218	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"624816"	458.107718	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1125041"	168.028718	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1404188"	112.354904	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1436303"	337.091746	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"230371"	318.10124	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1520620"	351.14379	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"423586"	321.055188	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"781302"	466.094688	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1674354"	176.015688	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"260871"	644.173768	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1233581"	354.094768	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1717731"	354.118293	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1185638"	119.682218	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1656620"	359.073688	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"162400"	657.07704	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"604151"	947.15604	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1091941"	366.99804	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"148760"	329.042158	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"587224"	474.081658	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1073927"	184.002658	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1113702"	369.012592	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1344618"	369.100207	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1020204"	373.139376	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1536748"	374.133008	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"1001007"	187.073326	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1600623"	375.047628	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1429194"	405.079138	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1160206"	207.586601	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1709757"	422.105685	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1647232"	427.06108	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1585434"	443.03502	"C09727"	"(-)-Epicatechin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"805960"	290.079	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M"	0
"976212"	271.06061	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"62908"	192.378724	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"509483"	289.071724	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"887288"	95.685724	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"4768"	289.071724	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"445421"	434.111224	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"820305"	144.032224	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"79566"	579.150724	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"521683"	869.229724	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"896197"	289.071724	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"50571"	596.177271	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"499988"	886.256271	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"870133"	306.098271	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"39131"	601.132666	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"475410"	891.211666	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"851021"	311.053666	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1620552"	311.053666	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"96352"	307.060063	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"535669"	452.099563	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"931620"	162.020563	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"269812"	615.127402	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"661382"	905.206402	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1277919"	325.048402	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"19747"	617.106606	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"456996"	907.185606	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"833136"	327.027606	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1556219"	327.027606	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"943619"	335.077194	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"362807"	625.156201	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"346571"	639.171851	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1493455"	349.092851	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"959050"	357.059151	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"111244"	325.048402	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"550314"	470.087902	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1022034"	180.008902	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1242706"	368.997885	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1311351"	371.053872	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1325567"	393.035829	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"916625"	403.064586	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1294435"	439.041264	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1373688"	255.066324	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1385720"	273.0763	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"286499"	581.165276	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"675919"	871.244276	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1352231"	291.086276	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"127062"	291.086276	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"566747"	436.125776	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1038096"	146.046776	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"206978"	194.393276	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"646295"	291.086276	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1166489"	97.700276	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"425749"	598.191823	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"788206"	888.270823	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1682349"	308.112823	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"331230"	299.5995495	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"728883"	444.6390495	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1478324"	154.5600495	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"400291"	603.147218	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"760190"	893.226218	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1608289"	313.068218	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"320513"	302.077247	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"717314"	447.116747	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1475508"	157.037747	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1065473"	105.02759	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1272431"	323.112486	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"392456"	619.121158	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"746723"	909.200158	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1542578"	329.042158	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"301939"	310.064217	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"701654"	455.103717	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1457667"	165.024717	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"246274"	622.191826	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1223357"	332.112826	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1208335"	166.560051	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"199017"	625.12916	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"639669"	915.20816	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1143171"	335.05016	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"184274"	313.068218	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"623832"	458.107718	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1125151"	168.028718	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1403205"	112.354904	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1436411"	337.091746	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"232668"	318.10124	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1520730"	351.14379	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"420416"	321.055188	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"779225"	466.094688	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1673367"	176.015688	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"258794"	644.173768	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1232598"	354.094768	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1716385"	354.118293	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1182469"	119.682218	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1656731"	359.073688	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"160800"	657.07704	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"603166"	947.15604	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1090958"	366.99804	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"149963"	329.042158	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"588427"	474.081658	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1077317"	184.002658	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1110532"	369.012592	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1344728"	369.100207	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1020557"	373.139376	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1536858"	374.133008	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"1003303"	187.073326	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1601703"	375.047628	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1429551"	405.079138	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1159223"	207.586601	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1709867"	422.105685	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1644426"	427.06108	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1585544"	443.03502	"C09728"	"()-Epicatechin;ent-Epicatechin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"806070"	218.1671	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M"	0
"976322"	199.14871	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"64561"	144.437457333333	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"509593"	217.159824	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"889585"	71.7150906666667	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"8158"	217.159824	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"447718"	326.243374	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"818229"	108.076274	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"80772"	435.326924	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"519238"	653.494024	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"897520"	217.159824	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"51414"	452.353471	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"500342"	670.520571	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"872430"	234.186371	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"38147"	457.308866	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"478800"	675.475966	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"851862"	239.141766	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1619937"	239.141766	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"95006"	235.148163	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"534561"	344.231713	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"934647"	126.064613	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"271017"	471.303602	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"661252"	689.470702	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1278029"	253.136502	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"17670"	473.282806	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"455897"	691.449906	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"835033"	255.115706	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1557426"	255.115706	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"943123"	263.165294	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"363525"	481.332401	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"347410"	495.348051	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1495877"	277.180951	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"959044"	285.147251	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"110869"	253.136502	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"550060"	362.220052	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1021776"	144.052952	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1242085"	297.085985	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1311461"	299.141972	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1320209"	321.123929	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"914548"	331.152686	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1294545"	367.129364	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1373798"	183.154424	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1385466"	201.1644	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"283814"	437.341476	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"677207"	655.508576	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1352827"	219.174376	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H"	1.007276
"127536"	219.174376	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"566127"	328.257926	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1037719"	110.090826	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"207819"	146.452009333333	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"647379"	219.174376	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1169879"	73.7296426666667	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"424331"	454.368023	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"790867"	672.535123	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1683918"	236.200923	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"330412"	227.6876495	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"731179"	336.7711995	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1479531"	118.6040995	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"401495"	459.323418	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"759207"	677.490518	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1612772"	241.156318	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"322809"	230.165347	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"709762"	339.248897	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1474890"	121.081797	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1061207"	81.0569566666667	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1272249"	251.200586	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"392038"	475.297358	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"747926"	693.464458	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1544510"	257.130258	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+K"	38.963158
"301685"	238.152317	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"701764"	347.235867	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1460858"	129.068767	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"248570"	478.368026	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1223468"	260.200926	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1207718"	130.604101	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"202651"	481.30536	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"642331"	699.47246	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1142188"	263.13826	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"181102"	241.156318	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"622485"	350.239868	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1125260"	132.072768	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1401492"	88.3842706666667	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1435429"	265.179846	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"233146"	246.18934	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1520112"	279.23189	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"420526"	249.143288	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"782616"	358.226838	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1672385"	140.059738	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"261092"	500.349968	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1231614"	282.182868	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1720506"	282.206393	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1183672"	95.7115846666667	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1656841"	287.161788	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"160427"	513.25324	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"604368"	731.42034	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1087786"	295.08614	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"147884"	257.130258	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"588537"	366.213808	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1077427"	148.046708	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1110642"	297.100692	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1342650"	297.188307	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1021196"	301.227476	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1536968"	302.221108	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1002320"	151.117376	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1602661"	303.135728	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1427953"	333.167238	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1156051"	171.630651	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1706697"	350.193785	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1644536"	355.14918	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1585654"	371.12312	"C09729"	"alpha-Sinensal"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"806180"	218.1671	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M"	0
"976432"	199.14871	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"65036"	144.437457333333	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"509703"	217.159824	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"889695"	71.7150906666667	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"7175"	217.159824	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"448921"	326.243374	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"819797"	108.076274	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"80881"	435.326924	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"519104"	653.494024	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"896172"	217.159824	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"47709"	452.353471	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"495835"	670.520571	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"872540"	234.186371	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"39351"	457.308866	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"480004"	675.475966	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"851608"	239.141766	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1619070"	239.141766	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"94587"	235.148163	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"534270"	344.231713	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"934757"	126.064613	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"271127"	471.303602	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"660386"	689.470702	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1275952"	253.136502	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"22884"	473.282806	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"455759"	691.449906	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"834050"	255.115706	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1556078"	255.115706	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"942785"	263.165294	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"361467"	481.332401	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"345780"	495.348051	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1493191"	277.180951	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"958565"	285.147251	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"110108"	253.136502	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"549969"	362.220052	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1021521"	144.052952	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1241828"	297.085985	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1304561"	299.141972	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1320439"	321.123929	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"913565"	331.152686	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1289306"	367.129364	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1368194"	183.154424	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1384847"	201.1644	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"283803"	437.341476	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"676705"	655.508576	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1352937"	219.174376	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H"	1.007276
"126672"	219.174376	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"566600"	328.257926	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1037618"	110.090826	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"206470"	146.452009333333	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"646393"	219.174376	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1168896"	73.7296426666667	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"427790"	454.368023	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"788790"	672.535123	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1681715"	236.200923	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"330724"	227.6876495	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"732382"	336.7711995	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1479641"	118.6040995	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"402697"	459.323418	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"763691"	677.490518	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1612884"	241.156318	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"323650"	230.165347	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"714976"	339.248897	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1469163"	121.081797	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1061317"	81.0569566666667	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1267370"	251.200586	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"391295"	475.297358	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"746942"	693.464458	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1545712"	257.130258	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+K"	38.963158
"301793"	238.152317	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"700780"	347.235867	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1460684"	129.068767	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"249408"	478.368026	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1223572"	260.200926	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1203081"	130.604101	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"191578"	481.30536	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"637699"	699.47246	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1136830"	263.13826	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"177202"	241.156318	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"620772"	350.239868	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1126102"	132.072768	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1404520"	88.3842706666667	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1433355"	265.179846	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"226327"	246.18934	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1516576"	279.23189	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"417356"	249.143288	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"781632"	358.226838	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1675775"	140.059738	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"260110"	500.349968	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1234640"	282.182868	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1716970"	282.206393	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1185968"	95.7115846666667	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1654406"	287.161788	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"159806"	513.25324	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"597907"	731.42034	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1087896"	295.08614	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"147995"	257.130258	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"585367"	366.213808	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1076442"	148.046708	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1110752"	297.100692	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1342759"	297.188307	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1019926"	301.227476	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1537078"	302.221108	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1002430"	151.117376	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1602670"	303.135728	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1428063"	333.167238	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1156161"	171.630651	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1712668"	350.193785	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1649511"	355.14918	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1585765"	371.12312	"C09730"	"beta-Sinensal;26-Dimethyl-10-methylene-2611-dodecatrienal"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"811758"	458.0849	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M"	0
"977635"	439.06651	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-H2O-H"	-19.01839
"65876"	304.382657333333	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M-3H"	-3.021828
"509813"	457.077624	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M-3H"	-3.021828
"888711"	151.687690666667	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-3H"	-3.021828
"10202"	457.077624	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M-2H"	-2.014552
"449032"	686.120074	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M-2H"	-2.014552
"820636"	228.035174	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-2H"	-2.014552
"80992"	915.162524	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M-H"	-1.007276
"521282"	1373.247424	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M-H"	-1.007276
"899084"	457.077624	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-H"	-1.007276
"49083"	932.189071	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M-2H+NH4"	16.019271
"497037"	1390.273971	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M-2H+NH4"	16.019271
"873745"	474.104171	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-2H+NH4"	16.019271
"39461"	937.144466	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M-2H+Na"	20.974666
"480114"	1395.229366	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M-2H+Na"	20.974666
"854635"	479.059566	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-2H+Na"	20.974666
"1625262"	479.059566	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Na-2H"	20.974666
"95349"	475.065963	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M-H+Cl"	33.962126
"535153"	704.108413	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M-H+Cl"	33.962126
"939241"	246.023513	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-H+Cl"	33.962126
"271237"	951.139202	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+Cl"	34.969402
"665846"	1409.224102	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+Cl"	34.969402
"1273265"	493.054302	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Cl"	34.969402
"22994"	953.118406	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M-2H+K"	36.948606
"462554"	1411.203306	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M-2H+K"	36.948606
"837076"	495.033506	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-2H+K"	36.948606
"1559470"	495.033506	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+K-2H"	36.948606
"942949"	503.083094	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-H+HCOOH"	44.998194
"361631"	961.168001	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+HCOOH-H"	44.998201
"346409"	975.183651	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+Hac-H"	59.013851
"1494272"	517.098751	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Hac-H"	59.013851
"959870"	525.065051	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-H+NaCOOH"	66.980151
"112181"	493.054302	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+2Cl"	69.938804
"551377"	722.096752	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+2Cl"	69.938804
"1021875"	264.011852	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2Cl"	69.938804
"1241696"	537.003785	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Br"	78.918885
"1306210"	539.059772	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Cl+HCOOH"	80.974872
"1326985"	561.041729	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Cl+NaCOOH"	102.956829
"914766"	571.070486	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M-H+CF3COOH"	112.985586
"1288723"	607.047164	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Cl+CF3COOH"	148.962264
"1368061"	423.072224	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H-2H2O"	-35.012676
"1384593"	441.0822	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H-H2O"	-17.0027
"283670"	917.177076	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+H"	1.007276
"678155"	1375.261976	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+H"	1.007276
"1352803"	459.092176	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H"	1.007276
"126417"	459.092176	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+2H"	2.014552
"566837"	688.134626	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+2H"	2.014552
"1039766"	230.049726	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2H"	2.014552
"204591"	306.397209333333	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+3H"	3.021828
"648693"	459.092176	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+3H"	3.021828
"1173380"	153.702242666667	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+3H"	3.021828
"426810"	934.203623	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+NH4"	18.033823
"796556"	1392.288523	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+NH4"	18.033823
"1686323"	476.118723	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+NH4"	18.033823
"334603"	467.6054495	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+H+NH4"	19.041099
"732493"	696.6478995	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+H+NH4"	19.041099
"1478656"	238.5629995	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H+NH4"	19.041099
"406087"	939.159018	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+Na"	22.989218
"763801"	1397.243918	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+Na"	22.989218
"1613723"	481.074118	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Na"	22.989218
"324855"	470.083147	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+H+Na"	23.996494
"716179"	699.125597	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+H+Na"	23.996494
"1470368"	241.040697	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H+Na"	23.996494
"1062519"	161.029556666667	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2H+Na"	25.00377
"1272345"	491.118386	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+CH3OH+H"	33.033486
"392500"	955.132958	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+K"	38.963158
"751427"	1413.217858	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+K"	38.963158
"1546917"	497.048058	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+K"	38.963158
"305186"	478.070117	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+H+K"	39.970434
"700890"	707.112567	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+H+K"	39.970434
"1456903"	249.027667	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H+K"	39.970434
"247693"	958.203626	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+ACN+H"	42.033826
"1221496"	500.118726	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+ACN+H"	42.033826
"1203191"	250.563001	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+ACN+2H"	43.041102
"192416"	961.14096	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+2Na-H"	44.97116
"639997"	1419.22586	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+2Na-H"	44.97116
"1139127"	503.05606	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2Na-H"	44.97116
"179136"	481.074118	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+2Na"	45.978436
"617602"	710.116568	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+2Na"	45.978436
"1123661"	252.031668	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2Na"	45.978436
"1404632"	168.356870666667	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H+2Na"	46.985712
"1436746"	505.097646	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H+HCOOH"	47.012746
"223523"	486.10714	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+3H2O+2H"	56.04448
"1513406"	519.14969	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+IsoProp+H"	61.06479
"419653"	489.061088	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+Na+K"	61.952376
"778460"	718.103538	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+Na+K"	61.952376
"1670419"	260.018638	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Na+K"	61.952376
"257304"	980.185568	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+ACN+Na"	64.015768
"1231834"	522.100668	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+ACN+Na"	64.015768
"1719637"	522.124193	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+NH4+HCOOH"	64.039293
"1182073"	175.684184666667	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+3Na"	68.967654
"1653787"	527.079588	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Na+HCOOH"	68.994688
"159554"	993.08884	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+2K-H"	76.91904
"599112"	1451.17374	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+2K-H"	76.91904
"1092382"	535.00394	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2K-H"	76.91904
"148105"	497.048058	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"2M+2K"	77.926316
"585477"	726.090508	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"3M+2K"	77.926316
"1075459"	268.005608	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2K"	77.926316
"1108675"	537.018492	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2K+H"	78.933592
"1339590"	537.106107	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+DMSO+H"	79.021207
"1020157"	541.145276	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2ACN+H"	83.060376
"1537188"	542.138908	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+IsoProp+Na+H"	84.054008
"1002539"	271.076276	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+2ACN+2H"	84.067652
"1601424"	543.053528	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+K+HCOOH"	84.968628
"1429269"	573.085038	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+H+CF3COOH"	115.000138
"1161377"	291.589551	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+3ACN+2H"	125.094202
"1709108"	590.111585	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+NH4+CF3COOH"	132.026685
"1648039"	595.06698	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+Na+CF3COOH"	136.98208
"1585875"	611.04092	"C09731"	"Epigallocatechin 3-gallate"	"C22H18O11"	"458.0849"	"M+K+CF3COOH"	152.95602
"812961"	596.1741	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M"	0
"983213"	577.15571	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-H2O-H"	-19.01839
"68174"	396.442124	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M-3H"	-3.021828
"509923"	595.166824	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M-3H"	-3.021828
"892102"	197.717424	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-3H"	-3.021828
"11771"	595.166824	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M-2H"	-2.014552
"453516"	893.253874	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M-2H"	-2.014552
"820382"	297.079774	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-2H"	-2.014552
"80010"	1191.340924	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M-H"	-1.007276
"520057"	1787.515024	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M-H"	-1.007276
"897129"	595.166824	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-H"	-1.007276
"48462"	1208.367471	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M-2H+NH4"	16.019271
"502416"	1804.541571	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M-2H+NH4"	16.019271
"878227"	612.193371	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-2H+NH4"	16.019271
"46218"	1213.322866	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M-2H+Na"	20.974666
"484598"	1809.496966	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M-2H+Na"	20.974666
"858025"	617.148766	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-2H+Na"	20.974666
"1631932"	617.148766	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Na-2H"	20.974666
"95825"	613.155163	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M-H+Cl"	33.962126
"539274"	911.242213	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M-H+Cl"	33.962126
"939351"	315.068113	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-H+Cl"	33.962126
"270254"	1227.317602	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+Cl"	34.969402
"664863"	1823.491702	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+Cl"	34.969402
"1276170"	631.143502	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Cl"	34.969402
"23104"	1229.296806	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M-2H+K"	36.948606
"465944"	1825.470906	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M-2H+K"	36.948606
"837188"	633.122706	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-2H+K"	36.948606
"1559580"	633.122706	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+K-2H"	36.948606
"943573"	641.172294	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-H+HCOOH"	44.998194
"361541"	1237.346401	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+HCOOH-H"	44.998201
"345821"	1251.362051	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+Hac-H"	59.013851
"1493654"	655.187951	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Hac-H"	59.013851
"959129"	663.154251	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-H+NaCOOH"	66.980151
"111564"	631.143502	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+2Cl"	69.938804
"551487"	929.230552	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+2Cl"	69.938804
"1021864"	333.056452	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2Cl"	69.938804
"1243144"	675.092985	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Br"	78.918885
"1306321"	677.148972	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Cl+HCOOH"	80.974872
"1326002"	699.130929	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Cl+NaCOOH"	102.956829
"916332"	709.159686	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M-H+CF3COOH"	112.985586
"1288668"	745.136364	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Cl+CF3COOH"	148.962264
"1367119"	561.161424	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H-2H2O"	-35.012676
"1383160"	579.1714	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H-H2O"	-17.0027
"283125"	1193.355476	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+H"	1.007276
"676442"	1789.529576	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+H"	1.007276
"1352793"	597.181376	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H"	1.007276
"126771"	597.181376	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+2H"	2.014552
"566580"	895.268426	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+2H"	2.014552
"1037807"	299.094326	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2H"	2.014552
"204866"	398.456676	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+3H"	3.021828
"646616"	597.181376	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+3H"	3.021828
"1173126"	199.731976	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+3H"	3.021828
"428013"	1210.382023	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+NH4"	18.033823
"790104"	1806.556123	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+NH4"	18.033823
"1683881"	614.207923	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+NH4"	18.033823
"331433"	605.6946495	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+H+NH4"	19.041099
"732603"	903.7816995	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+H+NH4"	19.041099
"1478280"	307.6075995	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H+NH4"	19.041099
"404739"	1215.337418	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+Na"	22.989218
"763911"	1811.511518	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+Na"	22.989218
"1615290"	619.163318	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Na"	22.989218
"327151"	608.172347	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+H+Na"	23.996494
"717747"	906.259397	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+H+Na"	23.996494
"1462941"	310.085297	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H+Na"	23.996494
"1057160"	207.05929	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2H+Na"	25.00377
"1269779"	629.207586	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+CH3OH+H"	33.033486
"390906"	1231.311358	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+K"	38.963158
"747163"	1827.485458	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+K"	38.963158
"1547029"	635.137258	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+K"	38.963158
"307485"	616.159317	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+H+K"	39.970434
"698813"	914.246367	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+H+K"	39.970434
"1458106"	318.072267	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H+K"	39.970434
"249991"	1234.382026	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+ACN+H"	42.033826
"1222699"	638.207926	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+ACN+H"	42.033826
"1205488"	319.607601	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+ACN+2H"	43.041102
"197264"	1237.31936	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+2Na-H"	44.97116
"640107"	1833.49346	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+2Na-H"	44.97116
"1140330"	641.14526	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2Na-H"	44.97116
"179245"	619.163318	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+2Na"	45.978436
"619899"	917.250368	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+2Na"	45.978436
"1125592"	321.076268	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2Na"	45.978436
"1406929"	214.386604	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H+2Na"	46.985712
"1433576"	643.186846	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H+HCOOH"	47.012746
"222175"	624.19634	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+3H2O+2H"	56.04448
"1514610"	657.23889	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+IsoProp+H"	61.06479
"415389"	627.150288	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+Na+K"	61.952376
"777477"	925.237338	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+Na+K"	61.952376
"1669072"	329.063238	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Na+K"	61.952376
"256321"	1256.363968	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+ACN+Na"	64.015768
"1229758"	660.189868	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+ACN+Na"	64.015768
"1718654"	660.213393	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+NH4+HCOOH"	64.039293
"1181090"	221.713918	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+3Na"	68.967654
"1652804"	665.168788	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Na+HCOOH"	68.994688
"159056"	1269.26724	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+2K-H"	76.91904
"599223"	1865.44134	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+2K-H"	76.91904
"1088483"	673.09314	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2K-H"	76.91904
"146393"	635.137258	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"2M+2K"	77.926316
"584494"	933.224308	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"3M+2K"	77.926316
"1075569"	337.050208	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2K"	77.926316
"1108785"	675.107692	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2K+H"	78.933592
"1338607"	675.195307	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+DMSO+H"	79.021207
"1020269"	679.234476	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2ACN+H"	83.060376
"1538026"	680.228108	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+IsoProp+Na+H"	84.054008
"1002650"	340.120876	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+2ACN+2H"	84.067652
"1600808"	681.142728	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+K+HCOOH"	84.968628
"1429017"	711.174238	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+H+CF3COOH"	115.000138
"1160758"	360.634151	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+3ACN+2H"	125.094202
"1712382"	728.200785	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+NH4+CF3COOH"	132.026685
"1647057"	733.15618	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+Na+CF3COOH"	136.98208
"1585985"	749.13012	"C09732"	"Eriocitrin;Eriodictyol 7-O-rutinoside"	"C27H32O15"	"596.1741"	"M+K+CF3COOH"	152.95602
"806510"	236.1776	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M"	0
"974575"	217.15921	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"67188"	156.444457333333	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"510033"	235.170324	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"891119"	77.7185906666667	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"10788"	235.170324	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"451440"	353.259124	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"820492"	117.081524	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"79756"	471.347924	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"519074"	707.525524	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"897239"	235.170324	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"48210"	488.374471	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"502481"	724.552071	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"877244"	252.196871	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"46245"	493.329866	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"483614"	729.507466	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"858135"	257.152266	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1627669"	257.152266	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"95450"	253.158663	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"539384"	371.247463	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"936180"	135.069863	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"270364"	507.324602	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"662786"	743.502202	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1274093"	271.147002	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"21027"	509.303806	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"462774"	745.481406	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"837298"	273.126206	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1559690"	273.126206	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"943197"	281.175794	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"361812"	517.353401	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"345904"	531.369051	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1494128"	295.191451	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"959603"	303.157751	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"111674"	271.147002	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"551598"	389.235802	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1021649"	153.058202	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1241795"	315.096485	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1309710"	317.152472	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1326112"	339.134429	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"916078"	349.163186	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1288655"	385.139864	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1367110"	201.164924	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1384810"	219.1749	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"285224"	473.362476	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"676553"	709.540076	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1351807"	237.184876	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"125949"	237.184876	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"565712"	355.273676	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1038040"	119.096076	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"205096"	158.459009333333	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"645997"	237.184876	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1172507"	79.7331426666667	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"427030"	490.389023	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"788027"	726.566623	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1683262"	254.211423	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"332636"	245.6981495	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"732713"	363.7869495	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1477120"	127.6093495	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"404120"	495.344418	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"764021"	731.522018	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1614307"	259.166818	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"326531"	248.175847	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"717857"	366.264647	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1463413"	130.087047	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1055083"	87.0604566666667	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1272361"	269.211086	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"391016"	511.318358	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"750189"	747.495958	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1548232"	275.140758	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"307595"	256.162817	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"698923"	374.251617	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1458216"	138.074017	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"244630"	514.389026	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1222809"	278.211426	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1208514"	139.609351	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"197374"	517.32636	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"636935"	753.50396	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1139346"	281.14876	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"179355"	259.166818	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"618916"	377.255618	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1125702"	141.078018	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1407039"	94.3877706666667	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1433686"	283.190346	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"223014"	264.19984	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1512168"	297.24239	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"414404"	267.153788	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"775764"	385.242588	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1672823"	149.064988	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"257159"	536.370968	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1232054"	300.193368	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1715480"	300.216893	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1181197"	101.715084666667	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1651816"	305.172288	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"157951"	549.27424	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"598239"	785.45184	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1087864"	313.09664	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"147232"	275.140758	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"583511"	393.229558	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1074586"	157.051958	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1107802"	315.111192	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1338717"	315.198807	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1020985"	319.237976	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1538136"	320.231608	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"1004826"	160.122626	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1602011"	321.146228	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1429694"	351.177738	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1161233"	180.635901	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1712448"	368.204285	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1647167"	373.15968	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1586095"	389.13362	"C09733"	"Sirenin"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"806620"	300.0998	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M"	0
"976871"	281.08141	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"66569"	199.059257333333	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"510143"	299.092524	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"889043"	99.0259906666667	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"7618"	299.092524	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"450457"	449.142424	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"820602"	149.042624	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"81686"	599.192324	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"519789"	899.292124	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"897221"	299.092524	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"48315"	616.218871	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"500646"	916.318671	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"871886"	316.119071	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"45141"	621.174266	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"480444"	921.274066	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"854964"	321.074466	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1628872"	321.074466	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"95560"	317.080863	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"539494"	467.130763	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"936290"	167.030963	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"273754"	635.169002	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"662896"	935.268802	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1275296"	335.069202	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"20044"	637.148206	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"462884"	937.248006	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"837408"	337.048406	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1558707"	337.048406	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"944399"	345.097994	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"361802"	645.197801	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"346003"	659.213451	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1494238"	359.113651	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"959955"	367.079951	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"112512"	335.069202	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"550615"	485.119102	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1021636"	185.019302	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1241862"	379.018685	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1304395"	381.074672	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1322943"	403.056629	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"914366"	413.085386	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1289618"	449.062064	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1367130"	265.087124	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1386013"	283.0971	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"284240"	601.206876	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"677756"	901.306676	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1352285"	301.107076	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"126622"	301.107076	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"566109"	451.156976	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1038638"	151.057176	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"204397"	201.073809333333	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"645743"	301.107076	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1170431"	101.040542666667	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"426047"	618.233423	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"787044"	918.333223	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1681380"	318.133623	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"332746"	309.6203495	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"723382"	459.6702495	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1477403"	159.5704495	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"402043"	623.188818	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"763038"	923.288618	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1613323"	323.089018	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"328345"	312.098047	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"717968"	462.147947	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1465226"	162.048147	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1055193"	108.367856666667	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1270364"	333.133286	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"390033"	639.162758	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"748476"	939.262558	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1547248"	339.062958	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"305516"	320.085017	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"699033"	470.134917	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1457233"	170.035117	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"244740"	642.233426	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1224012"	342.133626	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1206073"	171.570451	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"199670"	645.17076	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"639231"	945.27056	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1140549"	345.07096	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"179465"	323.089018	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"620119"	473.138918	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1125812"	173.039118	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1408972"	115.695170666667	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1432704"	347.112546	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"226771"	328.12204	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1512643"	361.16459	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"415609"	331.075988	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"777697"	481.125888	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1668565"	181.026088	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"256178"	664.215368	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1232167"	364.115568	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1713523"	364.139093	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1181305"	123.022484666667	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1651562"	369.094488	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"157369"	677.11864	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"597619"	977.21844	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1085535"	377.01884	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"146249"	339.062958	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"584714"	489.112858	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1075789"	189.013058	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1107912"	379.033392	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1338827"	379.121007	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1019393"	383.160176	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1536423"	384.153808	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"1005057"	192.083726	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1602435"	385.068428	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1429560"	415.099938	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1156604"	212.597001	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1712441"	432.126485	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1647277"	437.08188	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1586205"	453.05582	"C09734"	"Farrerol"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"807823"	274.0841	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M"	0
"978075"	255.06571	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"66679"	181.715457333333	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"510253"	273.076824	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"891339"	90.3540906666667	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"11008"	273.076824	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"450566"	410.118874	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"821805"	136.034774	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"81796"	547.160924	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"520749"	821.245024	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"901345"	273.076824	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"49519"	564.187471	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"498937"	838.271571	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"871996"	290.103371	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"43551"	569.142866	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"482742"	843.226966	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"855075"	295.058766	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1628982"	295.058766	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"96034"	291.065163	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"546165"	428.107213	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"936400"	154.023113	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"273864"	583.137602	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"663006"	857.221702	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1274313"	309.053502	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"20154"	585.116806	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"461901"	859.200906	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"834600"	311.032706	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1559182"	311.032706	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"942980"	319.082294	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"361624"	593.166401	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"345828"	607.182051	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1493246"	333.097951	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"958763"	341.064251	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"112258"	309.053502	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"551088"	446.095552	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1021826"	172.011452	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1242379"	353.002985	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1304217"	355.058972	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1320017"	377.040929	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"911803"	387.069686	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1289115"	423.046364	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1367322"	239.071424	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1384666"	257.0814	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"284717"	549.175476	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"677140"	823.259576	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1352878"	275.091376	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"131117"	275.091376	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"566669"	412.133426	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1038017"	138.049326	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"204992"	183.730009333333	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"645853"	275.091376	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1169447"	92.3686426666667	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"425306"	566.202023	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"788246"	840.286123	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1686764"	292.117923	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"336135"	283.6046495	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"723455"	420.6466995	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1480193"	146.5625995	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"403247"	571.157418	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"755493"	845.241518	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1616111"	297.073318	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"326751"	286.082347	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"713704"	423.124397	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1463633"	149.040297	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1053144"	99.6959566666666	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1272472"	307.117586	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"391239"	587.131358	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"752967"	861.215458	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1553560"	313.047258	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"310371"	294.069317	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"703519"	431.111367	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1456981"	157.027267	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"248132"	590.202026	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1222306"	316.117926	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1204732"	158.562601	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"200884"	593.13936	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"640441"	867.22346	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1142849"	319.05526	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"179576"	297.073318	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"624244"	434.115368	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1124831"	160.031268	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1409811"	107.023270666667	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1436094"	321.096846	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"222507"	302.10634	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1513849"	335.14889	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"416815"	305.060288	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"778901"	442.102338	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1671952"	168.018238	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"257381"	612.183968	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1233370"	338.099868	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1713064"	338.123393	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1182144"	114.350584666667	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1650942"	343.078788	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"158906"	625.08724	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"597489"	899.17134	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1084798"	351.00314	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"146364"	313.047258	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"585922"	450.089308	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1073713"	176.005208	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1106926"	353.017692	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1349513"	353.105307	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1017316"	357.144476	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1534346"	358.138108	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"1004802"	179.075876	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1601856"	359.052728	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1425333"	389.084238	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1157805"	199.589151	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1712590"	406.110785	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1648116"	411.06618	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1586315"	427.04012	"C09735"	"Fisetinidol;3734-Tetrahydroxyflavan"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"806840"	290.079	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M"	0
"977090"	271.06061	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"66424"	192.378724	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"516923"	289.071724	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"889262"	95.685724	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"12212"	289.071724	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"453956"	434.111224	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"826289"	144.032224	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"87373"	579.150724	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"522560"	869.229724	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"901455"	289.071724	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"49993"	596.177271	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"488825"	886.256271	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"865899"	306.098271	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"32456"	601.132666	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"482852"	891.211666	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"858465"	311.053666	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1629092"	311.053666	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"96873"	307.060063	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"546275"	452.099563	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"934323"	162.020563	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"273974"	615.127402	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"665303"	905.206402	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1276611"	325.048402	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"21357"	617.106606	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"460916"	907.185606	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"837627"	327.027606	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1557468"	327.027606	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"943526"	335.077194	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"361897"	625.156201	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"347448"	639.171851	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1493726"	349.092851	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"959201"	357.059151	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"112003"	325.048402	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"552291"	470.087902	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1022423"	180.008902	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1242972"	368.997885	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1305302"	371.053872	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1320083"	393.035829	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"911912"	403.064586	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1289022"	439.041264	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1367637"	255.066324	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1385138"	273.0763	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"285555"	581.165276	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"677609"	871.244276	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1352503"	291.086276	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"131227"	291.086276	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"567146"	436.125776	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1039589"	146.046776	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"205914"	194.393276	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"646084"	291.086276	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1163479"	97.700276	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"426629"	598.191823	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"787260"	888.270823	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1682501"	308.112823	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"334059"	299.5995495	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"723686"	444.6390495	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1478476"	154.5600495	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"397888"	603.147218	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"755603"	893.226218	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1604186"	313.068218	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"320300"	302.077247	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"714908"	447.116747	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1463259"	157.037747	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1053950"	105.02759	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1272255"	323.112486	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"391838"	619.121158	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"752590"	909.200158	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1553793"	329.042158	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"311941"	310.064217	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"705816"	455.103717	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1458917"	165.024717	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"249341"	622.191826	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1222780"	332.112826	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1208488"	166.560051	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"201360"	625.12916	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"642009"	915.20816	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1142959"	335.05016	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"182968"	313.068218	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"625449"	458.107718	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1128224"	168.028718	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1408466"	112.354904	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1434020"	337.091746	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"229180"	318.10124	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1512867"	351.14379	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"414738"	321.055188	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"779014"	466.094688	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1674251"	176.015688	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"260771"	644.173768	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1233482"	354.094768	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1713014"	354.118293	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1180794"	119.682218	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1651786"	359.073688	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"158288"	657.07704	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"597966"	947.15604	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1090744"	366.99804	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"151942"	329.042158	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"587125"	474.081658	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1073824"	184.002658	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1112502"	369.012592	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1349985"	369.100207	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1017427"	373.139376	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1536643"	374.133008	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"1005155"	187.073326	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1601603"	375.047628	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1427629"	405.079138	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1153539"	207.586601	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1712646"	422.105685	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1647497"	427.06108	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1586425"	443.03502	"C09736"	"Fisetinidol-4beta-ol;(-)-Mollisacacidin;Fisetinin-34-diol;5-Deoxyleucocyanidin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"806950"	218.1671	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M"	0
"974770"	199.14871	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"63612"	144.437457333333	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"513753"	217.159824	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"894718"	71.7150906666667	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"14510"	217.159824	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"452973"	326.243374	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"825306"	108.076274	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"86390"	435.326924	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"521212"	653.494024	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"902658"	217.159824	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"49740"	452.353471	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"489665"	670.520571	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"866738"	234.186371	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"32812"	457.308866	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"479682"	675.475966	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"855295"	239.141766	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1625921"	239.141766	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"98076"	235.148163	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"544198"	344.231713	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"934433"	126.064613	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"275177"	471.303602	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"666506"	689.470702	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1275628"	253.136502	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"21467"	473.282806	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"458839"	691.449906	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"836643"	255.115706	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1557941"	255.115706	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"945093"	263.165294	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"365498"	481.332401	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"348286"	495.348051	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1494565"	277.180951	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"959555"	285.147251	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"113206"	253.136502	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"553860"	362.220052	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1024116"	144.052952	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1242965"	297.085985	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1305779"	299.141972	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1323275"	321.123929	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"911942"	331.152686	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1289459"	367.129364	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1367745"	183.154424	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1385616"	201.1644	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"285668"	437.341476	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"679910"	655.508576	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1351876"	219.174376	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"126964"	219.174376	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"566892"	328.257926	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1039335"	110.090826	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"205901"	146.452009333333	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"646073"	219.174376	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1162980"	73.7296426666667	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"426010"	454.368023	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"787126"	672.535123	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1682611"	236.200923	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"334169"	227.6876495	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"725497"	336.7711995	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1480044"	118.6040995	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"394717"	459.323418	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"756077"	677.490518	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1604902"	241.156318	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"321503"	230.165347	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"715018"	339.248897	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1467744"	121.081797	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1056616"	81.0569566666667	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1258168"	251.200586	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"379786"	475.297358	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"743334"	693.464458	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1554869"	257.130258	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"310227"	238.152317	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"705925"	347.235867	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1460364"	129.068767	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"250426"	478.368026	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1223256"	260.200926	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1206046"	130.604101	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"200012"	481.30536	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"643214"	699.47246	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1144164"	263.13826	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"183078"	241.156318	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"626287"	350.239868	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1129062"	132.072768	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1408576"	88.3842706666667	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1437410"	265.179846	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"230385"	246.18934	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1515166"	279.23189	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"414850"	249.143288	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"778034"	358.226838	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1677278"	140.059738	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"260883"	500.349968	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1239789"	282.182868	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1713369"	282.206393	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1181271"	95.7115846666667	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1652625"	287.161788	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"160946"	513.25324	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"598681"	731.42034	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1090854"	295.08614	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"143657"	257.130258	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"585043"	366.213808	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1072833"	148.046708	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1107145"	297.100692	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1343529"	297.188307	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1017531"	301.227476	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1537119"	302.221108	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1004292"	151.117376	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1600982"	303.135728	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1427734"	333.167238	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1153649"	171.630651	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1711592"	350.193785	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1649672"	355.14918	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1586535"	371.12312	"C09737"	"Solavetivone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"807060"	466.2203	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M"	0
"975485"	447.20191	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-H2O-H"	-19.01839
"63319"	309.806257333333	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M-3H"	-3.021828
"512770"	465.213024	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M-3H"	-3.021828
"892762"	154.399490666667	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-3H"	-3.021828
"13524"	465.213024	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M-2H"	-2.014552
"453083"	698.323174	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M-2H"	-2.014552
"824322"	232.102874	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-2H"	-2.014552
"85407"	931.433324	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M-H"	-1.007276
"520957"	1397.653624	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M-H"	-1.007276
"903862"	465.213024	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-H"	-1.007276
"49124"	948.459871	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M-2H+NH4"	16.019271
"489046"	1414.680171	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M-2H+NH4"	16.019271
"866119"	482.239571	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-2H+NH4"	16.019271
"31601"	953.415266	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M-2H+Na"	20.974666
"477605"	1419.635566	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M-2H+Na"	20.974666
"856498"	487.194966	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-2H+Na"	20.974666
"1621657"	487.194966	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Na-2H"	20.974666
"96119"	483.201363	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M-H+Cl"	33.962126
"536283"	716.311513	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M-H+Cl"	33.962126
"928466"	250.091213	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-H+Cl"	33.962126
"270184"	967.410002	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+Cl"	34.969402
"664793"	1433.630302	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+Cl"	34.969402
"1273670"	501.189702	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Cl"	34.969402
"20483"	969.389206	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M-2H+K"	36.948606
"458949"	1435.609506	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M-2H+K"	36.948606
"837845"	503.168906	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-2H+K"	36.948606
"1559510"	503.168906	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+K-2H"	36.948606
"945933"	511.218494	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-H+HCOOH"	44.998194
"363055"	977.438801	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+HCOOH-H"	44.998201
"346937"	991.454451	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+Hac-H"	59.013851
"1494676"	525.234151	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Hac-H"	59.013851
"959665"	533.200451	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-H+NaCOOH"	66.980151
"113315"	501.189702	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+2Cl"	69.938804
"553606"	734.299852	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+2Cl"	69.938804
"1024590"	268.079552	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2Cl"	69.938804
"1244898"	545.139185	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Br"	78.918885
"1305889"	547.195172	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Cl+HCOOH"	80.974872
"1320835"	569.177129	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Cl+NaCOOH"	102.956829
"912260"	579.205886	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M-H+CF3COOH"	112.985586
"1288962"	615.182564	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Cl+CF3COOH"	148.962264
"1367610"	431.207624	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H-2H2O"	-35.012676
"1384628"	449.2176	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H-H2O"	-17.0027
"285410"	933.447876	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+H"	1.007276
"680747"	1399.668176	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+H"	1.007276
"1354546"	467.227576	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H"	1.007276
"127557"	467.227576	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+2H"	2.014552
"566999"	700.337726	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+2H"	2.014552
"1037367"	234.117426	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2H"	2.014552
"205529"	311.820809333333	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+3H"	3.021828
"646181"	467.227576	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+3H"	3.021828
"1165035"	156.414042666667	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+3H"	3.021828
"427212"	950.474423	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+NH4"	18.033823
"787846"	1416.694723	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+NH4"	18.033823
"1682716"	484.254123	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+NH4"	18.033823
"332089"	475.7408495	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+H+NH4"	19.041099
"724268"	708.8509995	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+H+NH4"	19.041099
"1481246"	242.6306995	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H+NH4"	19.041099
"393974"	955.429818	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+Na"	22.989218
"759103"	1421.650118	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+Na"	22.989218
"1604162"	489.209518	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Na"	22.989218
"321613"	478.218547	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+H+Na"	23.996494
"715128"	711.328697	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+H+Na"	23.996494
"1467854"	245.108397	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H+Na"	23.996494
"1057820"	163.741356666667	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2H+Na"	25.00377
"1257795"	499.253786	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+CH3OH+H"	33.033486
"381354"	971.403758	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+K"	38.963158
"741621"	1437.624058	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+K"	38.963158
"1545132"	505.183458	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+K"	38.963158
"301577"	486.205517	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+H+K"	39.970434
"702756"	719.315667	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+H+K"	39.970434
"1460879"	253.095367	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H+K"	39.970434
"250657"	974.474426	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+ACN+H"	42.033826
"1223727"	508.254126	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+ACN+H"	42.033826
"1208345"	254.630701	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+ACN+2H"	43.041102
"202672"	977.41176	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+2Na-H"	44.97116
"644012"	1443.63206	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+2Na-H"	44.97116
"1144274"	511.19146	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2Na-H"	44.97116
"183188"	489.209518	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+2Na"	45.978436
"626761"	722.319668	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+2Na"	45.978436
"1129172"	256.099368	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2Na"	45.978436
"1408685"	171.068670666667	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H+2Na"	46.985712
"1439707"	513.233046	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H+HCOOH"	47.012746
"227215"	494.24254	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+3H2O+2H"	56.04448
"1516370"	527.28509	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+IsoProp+H"	61.06479
"416054"	497.196488	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+Na+K"	61.952376
"779237"	730.306638	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+Na+K"	61.952376
"1676659"	264.086338	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Na+K"	61.952376
"263180"	996.456368	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+ACN+Na"	64.015768
"1239170"	530.236068	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+ACN+Na"	64.015768
"1716394"	530.259593	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+NH4+HCOOH"	64.039293
"1182476"	178.395984666667	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+3Na"	68.967654
"1652735"	535.214988	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Na+HCOOH"	68.994688
"158502"	1009.35964	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+2K-H"	76.91904
"598791"	1475.57994	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+2K-H"	76.91904
"1088046"	543.13934	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2K-H"	76.91904
"145590"	505.183458	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"2M+2K"	77.926316
"584424"	738.293608	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"3M+2K"	77.926316
"1072214"	272.073308	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2K"	77.926316
"1107254"	545.153892	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2K+H"	78.933592
"1339992"	545.241507	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+DMSO+H"	79.021207
"1017641"	549.280676	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2ACN+H"	83.060376
"1536865"	550.274308	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+IsoProp+Na+H"	84.054008
"1004890"	275.143976	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+2ACN+2H"	84.067652
"1601092"	551.188928	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+K+HCOOH"	84.968628
"1426751"	581.220438	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+H+CF3COOH"	115.000138
"1155946"	295.657251	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+3ACN+2H"	125.094202
"1712066"	598.246985	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+NH4+CF3COOH"	132.026685
"1648810"	603.20238	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+Na+CF3COOH"	136.98208
"1586645"	619.17632	"C09738"	"T-2 Toxin"	"C24H34O9"	"466.2203"	"M+K+CF3COOH"	152.95602
"807170"	234.162	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M"	0
"976327"	215.14361	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"62912"	155.100724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"512880"	233.154724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"895577"	77.046724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"11448"	233.154724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"452100"	350.235724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"825526"	116.073724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"86610"	467.316724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"521798"	701.478724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"903972"	233.154724	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"49235"	484.343271	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"488427"	718.505271	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"865865"	250.181271	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"32665"	489.298666	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"478808"	723.460666	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"862075"	255.136666	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1626141"	255.136666	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"99389"	251.143063	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"537125"	368.224063	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"929186"	134.062063	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"273210"	503.293402	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"665633"	737.455402	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1279128"	269.131402	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"18406"	505.272606	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"464527"	739.434606	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"841235"	271.110606	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1560350"	271.110606	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"948233"	279.160194	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"363530"	513.322201	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"346075"	527.337851	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1494058"	293.175851	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"962695"	301.142151	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"111967"	269.131402	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"552985"	386.212402	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1023243"	152.050402	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1243550"	313.080885	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1305637"	315.136872	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1319900"	337.118829	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"911468"	347.147586	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1289079"	383.124264	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1367128"	199.149324	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1386200"	217.1593	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"287344"	469.331276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"679038"	703.493276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1360854"	235.169276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H"	1.007276
"125844"	235.169276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"567473"	352.250276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1038094"	118.088276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"206245"	157.115276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"645440"	235.169276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1165512"	79.061276	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"428783"	486.357823	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"787593"	720.519823	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1683195"	252.195823	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"333294"	243.6825495	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"724136"	360.7635495	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1480629"	126.6015495	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"393598"	491.313218	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"758120"	725.475218	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1604393"	257.151218	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"321723"	246.160247	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"717425"	363.241247	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1466871"	129.079247	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1061210"	86.38859	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1259607"	267.195486	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"380371"	507.287158	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"741367"	741.449158	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1545607"	273.125158	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+K"	38.963158
"301688"	254.147217	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"694836"	371.228217	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1459612"	137.066217	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"250281"	510.357826	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1223475"	276.195826	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1208454"	138.601551	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"203593"	513.29516	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"644040"	747.45716	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1144020"	279.13316	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"182205"	257.151218	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"627236"	374.232218	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1129646"	140.070218	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1409890"	93.715904	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1443098"	281.174746	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"229513"	262.18424	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1517575"	295.22679	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"415072"	265.138188	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"777162"	382.219188	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1673491"	148.057188	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"260739"	532.339768	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1236000"	298.177768	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1715411"	298.201293	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1182586"	101.043218	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1652845"	303.156688	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"160799"	545.24304	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"598536"	779.40504	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1087792"	311.08104	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"146793"	273.125158	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"585263"	390.206158	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1071231"	156.044158	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1109551"	313.095592	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1339374"	313.183207	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1018731"	317.222376	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1538797"	318.216008	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1004391"	159.114826	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1602297"	319.130628	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1426862"	349.162138	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1156057"	179.628101	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1711811"	366.188685	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1649285"	371.14408	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1586755"	387.11802	"C09739"	"Tetradymol"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"807280"	204.1878	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M"	0
"976437"	185.16941	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"63203"	135.117924	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"512990"	203.180524	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"895174"	67.055324	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"11558"	203.180524	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"450023"	305.274424	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"826729"	101.086624	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"86720"	407.368324	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"520814"	611.556124	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"905175"	203.180524	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"50070"	424.394871	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"489995"	628.582671	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"865609"	220.207071	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"32532"	429.350266	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"474903"	633.538066	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"862183"	225.162466	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1622969"	225.162466	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97311"	221.168863	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"537965"	323.262763	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929293"	119.074963	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268945"	443.345002	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664647"	647.532802	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1273890"	239.157202	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"16814"	445.324206	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"458076"	649.512006	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"840252"	241.136406	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1559366"	241.136406	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947249"	249.185994	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"363276"	453.373801	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"347157"	467.389451	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1493562"	263.201651	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"962806"	271.167951	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"112077"	239.157202	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"553095"	341.251102	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1022625"	137.063302	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1241957"	283.106685	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1305018"	285.162672	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1320237"	307.144629	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"911539"	317.173386	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1291377"	353.150064	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1367710"	169.175124	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1388134"	187.1851	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"285633"	409.382876	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"680244"	613.570676	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1359871"	205.195076	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H"	1.007276
"127657"	205.195076	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"567219"	307.288976	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1037597"	103.101176	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"207935"	137.132476	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"647494"	205.195076	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1165622"	69.069876	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431079"	426.409423	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"788796"	630.597223	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1685127"	222.221623	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"335591"	213.7083495	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"723760"	315.8022495	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1482925"	111.6144495	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395045"	431.364818	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"757136"	635.552618	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604504"	227.177018	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321833"	216.186047	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"717535"	318.279947	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1470261"	114.092147	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1060227"	76.39719	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1261904"	237.221286	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"380482"	447.338758	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"742570"	651.526558	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1544623"	243.150958	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+K"	38.963158
"303254"	224.173017	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"693850"	326.266917	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447670"	122.079117	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"250754"	450.409426	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225041"	246.221626	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208200"	123.614451	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203741"	453.34676	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643664"	657.53456	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1143399"	249.15896	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182315"	227.177018	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626617"	329.270918	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129756"	125.083118	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1410000"	83.724504	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1438834"	251.200546	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"223790"	232.21004	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1514403"	265.25259	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"414089"	235.163988	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"777272"	337.257888	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1674331"	133.070088	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"259757"	472.391368	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1236839"	268.203568	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1717343"	268.227093	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1182697"	91.051818	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1653319"	273.182488	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"159816"	485.29464	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"598647"	689.48244	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1088994"	281.10684	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"146538"	243.150958	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"584644"	345.244858	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1071341"	141.057058	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1106381"	283.121392	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1338391"	283.209007	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017868"	287.248176	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539515"	288.241808	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004501"	144.127726	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1599127"	289.156428	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1428065"	319.187938	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1157260"	164.641001	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711921"	336.214485	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1647936"	341.16988	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1586865"	357.14382	"C09740"	"Thujopsene;(-)-Thujopsene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"807390"	292.1675	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M"	0
"974760"	273.14911	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-H2O-H"	-19.01839
"63931"	193.771057333333	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M-3H"	-3.021828
"513100"	291.160224	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M-3H"	-3.021828
"894796"	96.3818906666667	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-3H"	-3.021828
"9481"	291.160224	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M-2H"	-2.014552
"450133"	437.243974	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M-2H"	-2.014552
"824652"	145.076474	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-2H"	-2.014552
"83550"	583.327724	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M-H"	-1.007276
"525298"	875.495224	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M-H"	-1.007276
"905285"	291.160224	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-H"	-1.007276
"49820"	600.354271	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M-2H+NH4"	16.019271
"490103"	892.521771	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M-2H+NH4"	16.019271
"867907"	308.186771	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-2H+NH4"	16.019271
"32886"	605.309666	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M-2H+Na"	20.974666
"474649"	897.477166	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M-2H+Na"	20.974666
"861200"	313.142166	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-2H+Na"	20.974666
"1623079"	313.142166	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Na-2H"	20.974666
"99608"	309.148563	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M-H+Cl"	33.962126
"540262"	455.232313	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M-H+Cl"	33.962126
"929403"	163.064813	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-H+Cl"	33.962126
"271241"	619.304402	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+Cl"	34.969402
"664757"	911.471902	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+Cl"	34.969402
"1276066"	327.136902	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Cl"	34.969402
"19719"	621.283606	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M-2H+K"	36.948606
"460371"	913.451106	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M-2H+K"	36.948606
"835989"	329.116106	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-2H+K"	36.948606
"1557653"	329.116106	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+K-2H"	36.948606
"942938"	337.165694	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-H+HCOOH"	44.998194
"361517"	629.333201	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+HCOOH-H"	44.998201
"345794"	643.348851	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+Hac-H"	59.013851
"1493022"	351.181351	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Hac-H"	59.013851
"961823"	359.147651	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-H+NaCOOH"	66.980151
"110064"	327.136902	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+2Cl"	69.938804
"551382"	473.220652	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+2Cl"	69.938804
"1023099"	181.053152	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2Cl"	69.938804
"1241704"	371.086385	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Br"	78.918885
"1304762"	373.142372	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Cl+HCOOH"	80.974872
"1320353"	395.124329	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Cl+NaCOOH"	102.956829
"913318"	405.153086	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M-H+CF3COOH"	112.985586
"1289133"	441.129764	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Cl+CF3COOH"	148.962264
"1367946"	257.154824	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H-2H2O"	-35.012676
"1385328"	275.1648	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H-H2O"	-17.0027
"285743"	585.342276	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+H"	1.007276
"677799"	877.509776	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+H"	1.007276
"1355605"	293.174776	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H"	1.007276
"127402"	293.174776	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+2H"	2.014552
"568423"	439.258526	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+2H"	2.014552
"1037828"	147.091026	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2H"	2.014552
"206953"	195.785609333333	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+3H"	3.021828
"648697"	293.174776	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+3H"	3.021828
"1164639"	98.3964426666667	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+3H"	3.021828
"430096"	602.368823	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+NH4"	18.033823
"788907"	894.536323	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+NH4"	18.033823
"1684145"	310.201323	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+NH4"	18.033823
"333513"	301.6880495	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+H+NH4"	19.041099
"723870"	447.7717995	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+H+NH4"	19.041099
"1485222"	155.6042995	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H+NH4"	19.041099
"397341"	607.324218	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+Na"	22.989218
"757246"	899.491718	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+Na"	22.989218
"1604371"	315.156718	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Na"	22.989218
"321943"	304.165747	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+H+Na"	23.996494
"717645"	450.249497	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+H+Na"	23.996494
"1467091"	158.081997	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H+Na"	23.996494
"1055962"	105.723756666667	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2H+Na"	25.00377
"1260918"	325.200986	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+CH3OH+H"	33.033486
"381685"	623.298158	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+K"	38.963158
"742680"	915.465658	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+K"	38.963158
"1544733"	331.130658	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+K"	38.963158
"303364"	312.152717	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+H+K"	39.970434
"694689"	458.236467	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+H+K"	39.970434
"1448873"	166.068967	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H+K"	39.970434
"240757"	626.368826	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+ACN+H"	42.033826
"1222599"	334.201326	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+ACN+H"	42.033826
"1205393"	167.604301	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+ACN+2H"	43.041102
"199354"	629.30616	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+2Na-H"	44.97116
"639279"	921.47366	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+2Na-H"	44.97116
"1141323"	337.13866	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2Na-H"	44.97116
"181332"	315.156718	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+2Na"	45.978436
"618704"	461.240468	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+2Na"	45.978436
"1125493"	169.072968	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2Na"	45.978436
"1407921"	113.051070666667	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H+2Na"	46.985712
"1440766"	339.180246	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H+HCOOH"	47.012746
"227545"	320.18974	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+3H2O+2H"	56.04448
"1513420"	353.23229	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+IsoProp+H"	61.06479
"409823"	323.143688	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+Na+K"	61.952376
"776289"	469.227438	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+Na+K"	61.952376
"1672618"	177.059938	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Na+K"	61.952376
"259136"	648.350768	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+ACN+Na"	64.015768
"1235127"	356.183268	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+ACN+Na"	64.015768
"1713809"	356.206793	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+NH4+HCOOH"	64.039293
"1181348"	120.378384666667	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+3Na"	68.967654
"1651606"	361.162188	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Na+HCOOH"	68.994688
"158832"	661.25404	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+2K-H"	76.91904
"598269"	953.42154	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+2K-H"	76.91904
"1087646"	369.08654	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2K-H"	76.91904
"145555"	331.130658	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"2M+2K"	77.926316
"585483"	477.214408	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"3M+2K"	77.926316
"1073274"	185.046908	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2K"	77.926316
"1104304"	371.101092	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2K+H"	78.933592
"1339594"	371.188707	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+DMSO+H"	79.021207
"1017979"	375.227876	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2ACN+H"	83.060376
"1538164"	376.221508	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+IsoProp+Na+H"	84.054008
"1002546"	188.117576	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+2ACN+2H"	84.067652
"1599237"	377.136128	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+K+HCOOH"	84.968628
"1429268"	407.167638	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+H+CF3COOH"	115.000138
"1157370"	208.630851	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+3ACN+2H"	125.094202
"1711667"	424.194185	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+NH4+CF3COOH"	132.026685
"1648046"	429.14958	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+Na+CF3COOH"	136.98208
"1586975"	445.12352	"C09741"	"Trichodermin"	"C17H24O4"	"292.1675"	"M+K+CF3COOH"	152.95602
"807500"	332.1624	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M"	0
"975927"	313.14401	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-H2O-H"	-19.01839
"63924"	220.434324	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M-3H"	-3.021828
"513210"	331.155124	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M-3H"	-3.021828
"895148"	109.713524	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-3H"	-3.021828
"12871"	331.155124	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M-2H"	-2.014552
"453522"	497.236324	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M-2H"	-2.014552
"828042"	165.073924	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-2H"	-2.014552
"86941"	663.317524	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M-H"	-1.007276
"525408"	995.479924	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M-H"	-1.007276
"906489"	331.155124	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-H"	-1.007276
"52117"	680.344071	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M-2H+NH4"	16.019271
"490585"	1012.506471	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M-2H+NH4"	16.019271
"869479"	348.181671	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-2H+NH4"	16.019271
"34826"	685.299466	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M-2H+Na"	20.974666
"474759"	1017.461866	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M-2H+Na"	20.974666
"859123"	353.137066	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-2H+Na"	20.974666
"1623189"	353.137066	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Na-2H"	20.974666
"95343"	349.143463	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M-H+Cl"	33.962126
"542557"	515.224663	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M-H+Cl"	33.962126
"930606"	183.062263	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-H+Cl"	33.962126
"271351"	699.294202	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+Cl"	34.969402
"667053"	1031.456602	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+Cl"	34.969402
"1276176"	367.131802	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Cl"	34.969402
"22015"	701.273406	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M-2H+K"	36.948606
"461576"	1033.435806	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M-2H+K"	36.948606
"839379"	369.111006	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-2H+K"	36.948606
"1560679"	369.111006	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+K-2H"	36.948606
"944916"	377.160594	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-H+HCOOH"	44.998194
"364591"	709.323001	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+HCOOH-H"	44.998201
"351392"	723.338651	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+Hac-H"	59.013851
"1494268"	391.176251	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Hac-H"	59.013851
"960231"	399.142551	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-H+NaCOOH"	66.980151
"110386"	367.131802	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+2Cl"	69.938804
"550520"	533.213002	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+2Cl"	69.938804
"1021626"	201.050602	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2Cl"	69.938804
"1241691"	411.081285	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Br"	78.918885
"1308153"	413.137272	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Cl+HCOOH"	80.974872
"1320179"	435.119229	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Cl+NaCOOH"	102.956829
"912697"	445.147986	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M-H+CF3COOH"	112.985586
"1290863"	481.124664	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Cl+CF3COOH"	148.962264
"1367933"	297.149724	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H-2H2O"	-35.012676
"1383611"	315.1597	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H-H2O"	-17.0027
"283250"	665.332076	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+H"	1.007276
"676933"	997.494476	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+H"	1.007276
"1353528"	333.169676	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H"	1.007276
"125782"	333.169676	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+2H"	2.014552
"571813"	499.250876	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+2H"	2.014552
"1037810"	167.088476	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2H"	2.014552
"209248"	222.448876	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+3H"	3.021828
"647714"	333.169676	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+3H"	3.021828
"1170214"	111.728076	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+3H"	3.021828
"430204"	682.358623	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+NH4"	18.033823
"792293"	1014.521023	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+NH4"	18.033823
"1686436"	350.196223	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+NH4"	18.033823
"336904"	341.6829495	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+H+NH4"	19.041099
"728229"	507.7641495	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+H+NH4"	19.041099
"1487517"	175.6017495	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H+NH4"	19.041099
"399637"	687.314018	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+Na"	22.989218
"761726"	1019.476418	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+Na"	22.989218
"1604721"	355.151618	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Na"	22.989218
"318768"	344.160647	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+H+Na"	23.996494
"712284"	510.241847	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+H+Na"	23.996494
"1467197"	178.079447	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H+Na"	23.996494
"1056069"	119.05539	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2H+Na"	25.00377
"1259206"	365.195886	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+CH3OH+H"	33.033486
"379968"	703.287958	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+K"	38.963158
"741693"	1035.450358	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+K"	38.963158
"1540826"	371.125558	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+K"	38.963158
"300188"	352.147617	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+H+K"	39.970434
"693341"	518.228817	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+H+K"	39.970434
"1448618"	186.066417	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H+K"	39.970434
"239774"	706.358626	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+ACN+H"	42.033826
"1223070"	374.196226	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+ACN+H"	42.033826
"1206587"	187.601751	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+ACN+2H"	43.041102
"200187"	709.29596	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+2Na-H"	44.97116
"637923"	1041.45836	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+2Na-H"	44.97116
"1134868"	377.13356	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2Na-H"	44.97116
"180345"	355.151618	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+2Na"	45.978436
"619904"	521.232818	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+2Na"	45.978436
"1121225"	189.070418	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2Na"	45.978436
"1404749"	126.382704	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H+2Na"	46.985712
"1436864"	379.175146	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H+HCOOH"	47.012746
"224372"	360.18464	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+3H2O+2H"	56.04448
"1509517"	393.22719	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+IsoProp+H"	61.06479
"413213"	363.138588	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+Na+K"	61.952376
"778582"	529.219788	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+Na+K"	61.952376
"1669442"	197.057388	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Na+K"	61.952376
"255965"	728.340568	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+ACN+Na"	64.015768
"1235233"	396.178168	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+ACN+Na"	64.015768
"1717564"	396.201693	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+NH4+HCOOH"	64.039293
"1184011"	133.710018	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+3Na"	68.967654
"1652082"	401.157088	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Na+HCOOH"	68.994688
"159668"	741.24384	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+2K-H"	76.91904
"597240"	1073.40624	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+2K-H"	76.91904
"1084589"	409.08144	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2K-H"	76.91904
"142133"	371.125558	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"2M+2K"	77.926316
"583402"	537.206758	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"3M+2K"	77.926316
"1069367"	205.044358	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2K"	77.926316
"1102223"	411.095992	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2K+H"	78.933592
"1338240"	411.183607	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+DMSO+H"	79.021207
"1018078"	415.222776	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2ACN+H"	83.060376
"1536204"	416.216408	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+IsoProp+Na+H"	84.054008
"1003990"	208.115026	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+2ACN+2H"	84.067652
"1596064"	417.131028	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+K+HCOOH"	84.968628
"1426097"	447.162538	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+H+CF3COOH"	115.000138
"1150917"	228.628301	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+3ACN+2H"	125.094202
"1699378"	464.189085	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+NH4+CF3COOH"	132.026685
"1645966"	469.14448	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+Na+CF3COOH"	136.98208
"1577243"	485.11842	"C09742"	"Trichothecin"	"C19H24O5"	"332.1624"	"M+K+CF3COOH"	152.95602
"807610"	234.162	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M"	0
"975065"	215.14361	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"63428"	155.100724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"515507"	233.154724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"895594"	77.046724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"13710"	233.154724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"451447"	350.235724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"828152"	116.073724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"87051"	467.316724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"525518"	701.478724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"903319"	233.154724	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"55507"	484.343271	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"491058"	718.505271	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"868130"	250.181271	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"34207"	489.298666	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"474869"	723.460666	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"859233"	255.136666	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1624392"	255.136666	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"95453"	251.143063	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"541574"	368.224063	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"930716"	134.062063	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"271461"	503.293402	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"663882"	737.455402	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1278473"	269.131402	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"22125"	505.272606	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"459498"	739.434606	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"840582"	271.110606	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1561883"	271.110606	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"945756"	279.160194	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"367981"	513.322201	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"351502"	527.337851	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1497052"	293.175851	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"964595"	301.142151	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"110950"	269.131402	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"551361"	386.212402	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1021459"	152.050402	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1243627"	313.080885	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1310816"	315.136872	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1322480"	337.118829	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"914630"	347.147586	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1292798"	383.124264	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1372051"	199.149324	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1384451"	217.1593	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"282919"	469.331276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"676922"	703.493276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1352906"	235.169276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H"	1.007276
"127253"	235.169276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"568644"	352.250276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1037081"	118.088276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"213734"	157.115276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"656572"	235.169276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1170325"	79.061276	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"431407"	486.357823	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"793500"	720.519823	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1689828"	252.195823	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"341386"	243.6825495	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"729433"	360.7635495	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1486534"	126.6015495	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"399748"	491.313218	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"760744"	725.475218	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1609937"	257.151218	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"323255"	246.160247	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"715674"	363.241247	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1469496"	129.079247	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1059460"	86.38859	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1260046"	267.195486	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"380807"	507.287158	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"741803"	741.449158	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1541300"	273.125158	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+K"	38.963158
"301030"	254.147217	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"693088"	371.228217	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1447634"	137.066217	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"239520"	510.357826	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1213322"	276.195826	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1205969"	138.601551	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"198474"	513.29516	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"640220"	747.45716	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1134978"	279.13316	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"180455"	257.151218	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"622203"	374.232218	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1121335"	140.070218	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1405953"	93.715904	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1436975"	281.174746	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"224483"	262.18424	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1514733"	295.22679	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"409677"	265.138188	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"771279"	382.219188	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1672835"	148.057188	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"257168"	532.339768	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1232066"	298.177768	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1716944"	298.201293	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1184121"	101.043218	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1652556"	303.156688	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"158442"	545.24304	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"597109"	779.40504	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1086041"	311.08104	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"142124"	273.125158	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"582661"	390.206158	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1070448"	156.044158	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1103061"	313.095592	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1337986"	313.183207	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1013815"	317.222376	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1535221"	318.216008	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"995108"	159.114826	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1595079"	319.130628	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1422927"	349.162138	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1156495"	179.628101	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1699488"	366.188685	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1649356"	371.14408	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1577353"	387.11802	"C09743"	"Valerenic acid"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"807720"	218.1671	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M"	0
"974467"	199.14871	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"63053"	144.437457333333	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"510150"	217.159824	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"894152"	71.7150906666667	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"12362"	217.159824	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"446088"	326.243374	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"824982"	108.076274	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"86068"	435.326924	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"525628"	653.494024	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"902336"	217.159824	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"52337"	452.353471	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"488619"	670.520571	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"866420"	234.186371	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"33951"	457.308866	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"474979"	675.475966	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"859343"	239.141766	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1624502"	239.141766	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"95563"	235.148163	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"539497"	344.231713	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"929733"	126.064613	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"270478"	471.303602	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"663992"	689.470702	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1278583"	253.136502	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"22236"	473.282806	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"459609"	691.449906	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"835221"	255.115706	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1558711"	255.115706	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"945864"	263.165294	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"365905"	481.332401	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"350517"	495.348051	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1497526"	277.180951	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"965070"	285.147251	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"110452"	253.136502	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"551107"	362.220052	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1022698"	144.052952	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1244102"	297.085985	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1313113"	299.141972	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1322590"	321.123929	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"915470"	331.152686	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1296188"	367.129364	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1373255"	183.154424	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1384562"	201.1644	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"283068"	437.341476	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"676304"	655.508576	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1354112"	219.174376	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"126999"	219.174376	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"566689"	328.257926	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1037141"	110.090826	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"210563"	146.452009333333	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"651215"	219.174376	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1168249"	73.7296426666667	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"433707"	454.368023	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"797981"	672.535123	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1691033"	236.200923	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"341497"	227.6876495	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"728450"	336.7711995	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1486646"	118.6040995	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"399858"	459.323418	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"761948"	677.490518	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1610046"	241.156318	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"322271"	230.165347	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"714691"	339.248897	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1468513"	121.081797	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1059571"	81.0569566666667	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1261249"	251.200586	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"377998"	475.297358	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"741913"	693.464458	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1540681"	257.130258	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"299314"	238.152317	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"691420"	347.235867	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1445962"	129.068767	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"235983"	478.368026	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1212339"	260.200926	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1198054"	130.604101	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"196398"	481.30536	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"637052"	699.47246	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1138368"	263.13826	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"178377"	241.156318	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"617938"	350.239868	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1121445"	132.072768	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1406064"	88.3842706666667	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1437085"	265.179846	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"224593"	246.18934	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1513748"	279.23189	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"410517"	249.143288	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"778804"	358.226838	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1671853"	140.059738	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"257279"	500.349968	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1231083"	282.182868	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1719970"	282.206393	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1183138"	95.7115846666667	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1659592"	287.161788	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"158433"	513.25324	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"597994"	731.42034	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1087609"	295.08614	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"141705"	257.130258	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"582530"	366.213808	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1069954"	148.046708	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1102443"	297.100692	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1337732"	297.188307	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1011738"	301.227476	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1536424"	302.221108	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1000687"	151.117376	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1596284"	303.135728	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1426317"	333.167238	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1160615"	171.630651	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1698503"	350.193785	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1646186"	355.14918	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1577463"	371.12312	"C09744"	"alpha-Vetivone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"807830"	218.1671	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M"	0
"978082"	199.14871	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"64135"	144.437457333333	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"516457"	217.159824	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"893898"	71.7150906666667	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"13202"	217.159824	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"449480"	326.243374	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"824000"	108.076274	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"90192"	435.326924	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"527926"	653.494024	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"905364"	217.159824	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"50261"	452.353471	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"492008"	670.520571	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"870903"	234.186371	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"31563"	457.308866	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"475089"	675.475966	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"860550"	239.141766	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1626800"	239.141766	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"100048"	235.148163	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"539607"	344.231713	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"932030"	126.064613	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"271682"	471.303602	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"668477"	689.470702	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1276873"	253.136502	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"19062"	473.282806	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"458626"	691.449906	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"835334"	255.115706	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1562104"	255.115706	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"945612"	263.165294	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"364923"	481.332401	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"350995"	495.348051	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1497640"	277.180951	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"962996"	285.147251	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"111294"	253.136502	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"552919"	362.220052	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1021757"	144.052952	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1242147"	297.085985	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1308120"	299.141972	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1321242"	321.123929	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"912662"	331.152686	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1298483"	367.129364	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1375552"	183.154424	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1383253"	201.1644	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"283625"	437.341476	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"679696"	655.508576	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1358234"	219.174376	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"128205"	219.174376	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"567407"	328.257926	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1038392"	110.090826	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"207387"	146.452009333333	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"651322"	219.174376	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1171639"	73.7296426666667	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"432722"	454.368023	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"794813"	672.535123	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1691141"	236.200923	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"338327"	227.6876495	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"725280"	336.7711995	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1486756"	118.6040995	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"395593"	459.323418	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"760964"	677.490518	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1605781"	241.156318	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"320192"	230.165347	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"715894"	339.248897	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1469714"	121.081797	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1059680"	81.0569566666667	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1261359"	251.200586	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"377458"	475.297358	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"738980"	693.464458	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1540549"	257.130258	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"298558"	238.152317	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"694401"	347.235867	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1446763"	129.068767	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"239376"	478.368026	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1215368"	260.200926	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1199257"	130.604101	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"197601"	481.30536	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"637162"	699.47246	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1138478"	263.13826	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"177395"	241.156318	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"618048"	350.239868	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1124837"	132.072768	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1405079"	88.3842706666667	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1438289"	265.179846	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"224703"	246.18934	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1513858"	279.23189	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"411357"	249.143288	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"774539"	358.226838	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1673055"	140.059738	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"255205"	500.349968	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1231193"	282.182868	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1716800"	282.206393	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1185434"	95.7115846666667	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1656422"	287.161788	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"157608"	513.25324	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"598104"	731.42034	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1084557"	295.08614	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"142467"	257.130258	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"583004"	366.213808	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1070430"	148.046708	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1103648"	297.100692	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1338207"	297.188307	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1011848"	301.227476	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1533254"	302.221108	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1000798"	151.117376	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1599310"	303.135728	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1428251"	333.167238	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1157446"	171.630651	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1706267"	350.193785	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1643014"	355.14918	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1577573"	371.12312	"C09745"	"beta-Vetivone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"811222"	502.2203	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M"	0
"985853"	483.20191	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-H2O-H"	-19.01839
"70816"	333.806257333333	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M-3H"	-3.021828
"511469"	501.213024	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M-3H"	-3.021828
"889270"	166.399490666667	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-3H"	-3.021828
"11854"	501.213024	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M-2H"	-2.014552
"453238"	752.323174	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M-2H"	-2.014552
"820835"	250.102874	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-2H"	-2.014552
"85199"	1003.433324	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M-H"	-1.007276
"522572"	1505.653624	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M-H"	-1.007276
"904750"	501.213024	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-H"	-1.007276
"53656"	1020.459871	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M-2H+NH4"	16.019271
"489933"	1522.680171	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M-2H+NH4"	16.019271
"877947"	518.239571	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-2H+NH4"	16.019271
"38924"	1025.415266	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M-2H+Na"	20.974666
"475202"	1527.635566	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M-2H+Na"	20.974666
"857377"	523.194966	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-2H+Na"	20.974666
"1630189"	523.194966	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Na-2H"	20.974666
"100157"	519.201363	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M-H+Cl"	33.962126
"537535"	770.311513	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M-H+Cl"	33.962126
"936155"	268.091213	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-H+Cl"	33.962126
"275073"	1039.410002	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+Cl"	34.969402
"660568"	1541.630302	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+Cl"	34.969402
"1273578"	537.189702	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Cl"	34.969402
"16133"	1041.389206	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M-2H+K"	36.948606
"459096"	1543.609506	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M-2H+K"	36.948606
"834346"	539.168906	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-2H+K"	36.948606
"1557109"	539.168906	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+K-2H"	36.948606
"945354"	547.218494	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-H+HCOOH"	44.998194
"365398"	1049.438801	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+HCOOH-H"	44.998201
"353291"	1063.454451	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+Hac-H"	59.013851
"1494832"	561.234151	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Hac-H"	59.013851
"961281"	569.200451	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-H+NaCOOH"	66.980151
"112739"	537.189702	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+2Cl"	69.938804
"551206"	788.299852	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+2Cl"	69.938804
"1025474"	286.079552	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2Cl"	69.938804
"1246146"	581.139185	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Br"	78.918885
"1308958"	583.195172	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Cl+HCOOH"	80.974872
"1325361"	605.177129	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Cl+NaCOOH"	102.956829
"913135"	615.205886	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M-H+CF3COOH"	112.985586
"1289850"	651.182564	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Cl+CF3COOH"	148.962264
"1375670"	467.207624	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H-2H2O"	-35.012676
"1384781"	485.2176	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H-H2O"	-17.0027
"292854"	1005.447876	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+H"	1.007276
"687464"	1507.668176	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+H"	1.007276
"1362722"	503.227576	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H"	1.007276
"126619"	503.227576	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+2H"	2.014552
"566016"	754.337726	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+2H"	2.014552
"1042878"	252.117426	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2H"	2.014552
"210782"	335.820809333333	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+3H"	3.021828
"652527"	503.227576	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+3H"	3.021828
"1171748"	168.414042666667	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+3H"	3.021828
"429552"	1022.474423	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+NH4"	18.033823
"794922"	1524.694723	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+NH4"	18.033823
"1690159"	520.254123	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+NH4"	18.033823
"337345"	511.7408495	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+H+NH4"	19.041099
"729766"	762.8509995	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+H+NH4"	19.041099
"1484681"	260.6306995	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H+NH4"	19.041099
"401175"	1027.429818	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+Na"	22.989218
"762171"	1529.650118	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+Na"	22.989218
"1613550"	525.209518	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Na"	22.989218
"322492"	514.218547	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+H+Na"	23.996494
"712727"	765.328697	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+H+Na"	23.996494
"1468733"	263.108397	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H+Na"	23.996494
"1057603"	175.741356666667	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2H+Na"	25.00377
"1261470"	535.253786	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+CH3OH+H"	33.033486
"384418"	1043.403758	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+K"	38.963158
"749425"	1545.624058	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+K"	38.963158
"1549655"	541.183458	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+K"	38.963158
"306832"	522.205517	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+H+K"	39.970434
"697070"	773.315667	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+H+K"	39.970434
"1450894"	271.095367	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H+K"	39.970434
"248611"	1046.474426	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+ACN+H"	42.033826
"1220960"	544.254126	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+ACN+H"	42.033826
"1205206"	272.630701	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+ACN+2H"	43.041102
"198806"	1049.41176	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+2Na-H"	44.97116
"637272"	1551.63206	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+2Na-H"	44.97116
"1143695"	547.19146	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2Na-H"	44.97116
"185048"	525.209518	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+2Na"	45.978436
"626307"	776.319668	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+2Na"	45.978436
"1127136"	274.099368	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2Na"	45.978436
"1409564"	183.068670666667	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H+2Na"	46.985712
"1439493"	549.233046	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H+HCOOH"	47.012746
"230279"	530.24254	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+3H2O+2H"	56.04448
"1515059"	563.28509	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+IsoProp+H"	61.06479
"413658"	533.196488	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+Na+K"	61.952376
"781215"	784.306638	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+Na+K"	61.952376
"1669889"	282.086338	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Na+K"	61.952376
"253495"	1068.456368	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+ACN+Na"	64.015768
"1232400"	566.236068	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+ACN+Na"	64.015768
"1715091"	566.259593	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+NH4+HCOOH"	64.039293
"1179189"	190.395984666667	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+3Na"	68.967654
"1653255"	571.214988	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Na+HCOOH"	68.994688
"161214"	1081.35964	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+2K-H"	76.91904
"597975"	1583.57994	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+2K-H"	76.91904
"1090756"	579.13934	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2K-H"	76.91904
"144654"	541.183458	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"2M+2K"	77.926316
"588228"	792.293608	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"3M+2K"	77.926316
"1076021"	290.073308	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2K"	77.926316
"1112879"	581.153892	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2K+H"	78.933592
"1342336"	581.241507	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+DMSO+H"	79.021207
"1015247"	585.280676	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2ACN+H"	83.060376
"1534460"	586.274308	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+IsoProp+Na+H"	84.054008
"999813"	293.143976	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+2ACN+2H"	84.067652
"1599784"	587.188928	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+K+HCOOH"	84.968628
"1428361"	617.220438	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+H+CF3COOH"	115.000138
"1154640"	313.657251	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+3ACN+2H"	125.094202
"1708201"	634.246985	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+NH4+CF3COOH"	132.026685
"1643124"	639.20238	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+Na+CF3COOH"	136.98208
"1577683"	655.17632	"C09746"	"Verrucarin A;Muconomycin A"	"C27H34O9"	"502.2203"	"M+K+CF3COOH"	152.95602
"808050"	296.126	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M"	0
"988152"	277.10761	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-H2O-H"	-19.01839
"74206"	196.410057333333	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M-3H"	-3.021828
"509391"	295.118724	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M-3H"	-3.021828
"885006"	97.7013906666667	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-3H"	-3.021828
"10871"	295.118724	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M-2H"	-2.014552
"451525"	443.181724	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M-2H"	-2.014552
"819849"	147.055724	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-2H"	-2.014552
"84215"	591.244724	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M-H"	-1.007276
"521592"	887.370724	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M-H"	-1.007276
"897206"	295.118724	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-H"	-1.007276
"49394"	608.271271	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M-2H+NH4"	16.019271
"490047"	904.397271	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M-2H+NH4"	16.019271
"876964"	312.145271	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-2H+NH4"	16.019271
"35752"	613.226666	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M-2H+Na"	20.974666
"478592"	909.352666	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M-2H+Na"	20.974666
"857487"	317.100666	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-2H+Na"	20.974666
"1624833"	317.100666	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Na-2H"	20.974666
"105734"	313.107063	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M-H+Cl"	33.962126
"536555"	461.170063	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M-H+Cl"	33.962126
"932255"	165.044063	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-H+Cl"	33.962126
"272999"	627.221402	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+Cl"	34.969402
"663232"	923.347402	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+Cl"	34.969402
"1273798"	331.095402	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Cl"	34.969402
"16320"	629.200606	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M-2H+K"	36.948606
"456535"	925.326606	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M-2H+K"	36.948606
"834460"	333.074606	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-2H+K"	36.948606
"1557218"	333.074606	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+K-2H"	36.948606
"945103"	341.124194	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-H+HCOOH"	44.998194
"368426"	637.250201	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+HCOOH-H"	44.998201
"349756"	651.265851	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+Hac-H"	59.013851
"1493847"	355.139851	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Hac-H"	59.013851
"963214"	363.106151	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-H+NaCOOH"	66.980151
"112484"	331.095402	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+2Cl"	69.938804
"551679"	479.158402	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+2Cl"	69.938804
"1022173"	183.032402	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2Cl"	69.938804
"1241635"	375.044885	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Br"	78.918885
"1306150"	377.100872	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Cl+HCOOH"	80.974872
"1325471"	399.082829	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Cl+NaCOOH"	102.956829
"915440"	409.111586	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M-H+CF3COOH"	112.985586
"1289595"	445.088264	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Cl+CF3COOH"	148.962264
"1378698"	261.113324	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H-2H2O"	-35.012676
"1397896"	279.1233	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H-H2O"	-17.0027
"297340"	593.259276	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+H"	1.007276
"687576"	889.385276	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+H"	1.007276
"1362832"	297.133276	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H"	1.007276
"126974"	297.133276	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+2H"	2.014552
"572003"	445.196276	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+2H"	2.014552
"1044085"	149.070276	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2H"	2.014552
"211985"	198.424609333333	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+3H"	3.021828
"646077"	297.133276	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+3H"	3.021828
"1166390"	99.7159426666667	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+3H"	3.021828
"431851"	610.285823	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+NH4"	18.033823
"791751"	906.411823	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+NH4"	18.033823
"1688082"	314.159823	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+NH4"	18.033823
"333081"	305.6465495	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+H+NH4"	19.041099
"727689"	453.7095495	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+H+NH4"	19.041099
"1485883"	157.5835495	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H+NH4"	19.041099
"402380"	615.241218	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+Na"	22.989218
"764469"	911.367218	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+Na"	22.989218
"1608194"	319.115218	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Na"	22.989218
"319323"	308.124247	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+H+Na"	23.996494
"712836"	456.187247	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+H+Na"	23.996494
"1466656"	160.061247	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H+Na"	23.996494
"1058807"	107.043256666667	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2H+Na"	25.00377
"1263768"	329.159486	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+CH3OH+H"	33.033486
"383437"	631.215158	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+K"	38.963158
"745528"	927.341158	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+K"	38.963158
"1547582"	335.089158	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+K"	38.963158
"304761"	316.111217	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+H+K"	39.970434
"701558"	464.174217	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+H+K"	39.970434
"1459391"	168.048217	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H+K"	39.970434
"249090"	634.285826	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+ACN+H"	42.033826
"1221069"	338.159826	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+ACN+H"	42.033826
"1206043"	169.583551	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+ACN+2H"	43.041102
"194543"	637.22316	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+2Na-H"	44.97116
"637387"	933.34916	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+2Na-H"	44.97116
"1142716"	341.09716	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2Na-H"	44.97116
"183087"	319.115218	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+2Na"	45.978436
"623378"	467.178218	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+2Na"	45.978436
"1122871"	171.052218	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2Na"	45.978436
"1403113"	114.370570666667	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H+2Na"	46.985712
"1436322"	343.138746	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H+HCOOH"	47.012746
"231484"	324.14824	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+3H2O+2H"	56.04448
"1514080"	357.19079	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+IsoProp+H"	61.06479
"415955"	327.102188	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+Na+K"	61.952376
"773672"	475.165188	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+Na+K"	61.952376
"1675470"	179.039188	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Na+K"	61.952376
"259803"	656.267768	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+ACN+Na"	64.015768
"1226315"	360.141768	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+ACN+Na"	64.015768
"1712880"	360.165293	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+NH4+HCOOH"	64.039293
"1179092"	121.697884666667	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+3Na"	68.967654
"1650449"	365.120688	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Na+HCOOH"	68.994688
"160230"	669.17104	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+2K-H"	76.91904
"600886"	965.29704	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+2K-H"	76.91904
"1087587"	373.04504	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2K-H"	76.91904
"145496"	335.089158	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"2M+2K"	77.926316
"586151"	483.152158	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"3M+2K"	77.926316
"1080508"	187.026158	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2K"	77.926316
"1112624"	375.059592	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2K+H"	78.933592
"1343539"	375.147207	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+DMSO+H"	79.021207
"1014263"	379.186376	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2ACN+H"	83.060376
"1532382"	380.180008	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+IsoProp+Na+H"	84.054008
"995549"	190.096826	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+2ACN+2H"	84.067652
"1600628"	381.094628	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+K+HCOOH"	84.968628
"1427745"	411.126138	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+H+CF3COOH"	115.000138
"1162041"	210.610101	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+3ACN+2H"	125.094202
"1697042"	428.152685	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+NH4+CF3COOH"	132.026685
"1639954"	433.10808	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+Na+CF3COOH"	136.98208
"1577793"	449.08202	"C09747"	"Vomitoxin;Deoxynivalenol;DON"	"C15H20O6"	"296.126"	"M+K+CF3COOH"	152.95602
"808160"	250.1569	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M"	0
"981692"	231.13851	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"76503"	165.763990666667	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"509502"	249.149624	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"886211"	82.3783573333333	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"6974"	249.149624	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"447626"	374.228074	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"818868"	124.071174	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"87605"	499.306524	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"526076"	749.463424	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"901691"	249.149624	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"53879"	516.333071	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"489064"	766.489971	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"875980"	266.176171	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"33798"	521.288466	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"477610"	771.445366	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"854317"	271.131566	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1623850"	271.131566	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"106938"	267.137963	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"535569"	392.216413	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"930543"	142.059513	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"273109"	535.283202	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"661152"	785.440102	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1273309"	285.126302	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"16591"	537.262406	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"458594"	787.419306	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"833717"	287.105506	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1558789"	287.105506	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"944845"	295.155094	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"371452"	545.312001	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"354242"	559.327651	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1499064"	309.170751	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"962230"	317.137051	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"111135"	285.126302	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"553248"	410.204752	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1022410"	160.047852	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1244542"	329.075785	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1308447"	331.131772	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1325581"	353.113729	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"915179"	363.142486	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1290068"	399.119164	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1381002"	215.144224	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1395576"	233.1542	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"295264"	501.321076	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"687686"	751.477976	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1364764"	251.164176	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"132551"	251.164176	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"574302"	376.242626	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1044195"	126.085726	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"212096"	167.778542666667	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"654936"	251.164176	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1174157"	84.3929093333333	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"430870"	518.347623	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"792956"	768.504523	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1688193"	268.190723	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"336473"	259.6774495	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"727799"	384.7558995	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1489279"	134.5989995	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"405772"	523.303018	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"766768"	773.459918	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1613771"	273.146118	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"316519"	262.155147	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"709667"	387.233597	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1465672"	137.076697	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1055638"	91.7202233333333	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1262786"	283.190386	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"380266"	539.276958	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"742358"	789.433858	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1546601"	289.120058	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"304871"	270.142117	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"698388"	395.220567	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1459865"	145.063667	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"249926"	542.347626	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1221909"	292.190726	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1207978"	146.599001	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"200117"	545.28496	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"637490"	795.44186	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1145011"	295.12806	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"181017"	273.146118	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"622760"	398.224568	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1127358"	148.067668	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1409424"	99.0475373333333	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1434248"	297.169646	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"226128"	278.17914	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1516378"	311.22169	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"416065"	281.133088	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"774876"	406.211538	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1673393"	156.054638	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"262099"	564.329568	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1227155"	314.172668	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1713126"	314.196193	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1179045"	106.374851333333	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1653475"	319.151588	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"160342"	577.23284	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"600996"	827.38974	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1097538"	327.07594	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"145606"	289.120058	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"588448"	414.198508	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1080618"	164.041608	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1112734"	329.090492	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1342556"	329.178107	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1013281"	333.217276	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1533587"	334.210908	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"1000035"	167.112276	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1601102"	335.125528	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1428948"	365.157038	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1162151"	187.625551	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1697009"	382.183585	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1640064"	387.13898	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1577903"	403.11292	"C09748"	"Warburganal"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"808271"	204.1878	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M"	0
"977429"	185.16941	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75514"	135.117924	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517268"	203.180524	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"895025"	67.055324	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"8178"	203.180524	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"444456"	305.274424	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"821165"	101.086624	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"87715"	407.368324	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"525090"	611.556124	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"902894"	203.180524	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"55082"	424.394871	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"491360"	628.582671	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876818"	220.207071	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"33787"	429.350266	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479907"	633.538066	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854427"	225.162466	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1625053"	225.162466	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"105954"	221.168863	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"535438"	323.262763	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"928585"	119.074963	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"271760"	443.345002	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"660290"	647.532802	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1273299"	239.157202	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"15970"	445.324206	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459068"	649.512006	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"833705"	241.136406	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1558169"	241.136406	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"952254"	249.185994	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"367555"	453.373801	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"349977"	467.389451	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1495527"	263.201651	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"960513"	271.167951	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"111972"	239.157202	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"553721"	341.251102	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1022273"	137.063302	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1241410"	283.106685	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1305276"	285.162672	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1324231"	307.144629	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"914559"	317.173386	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1290179"	353.150064	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372721"	169.175124	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1386571"	187.1851	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"295372"	409.382876	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"682328"	613.570676	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1363051"	205.195076	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H"	1.007276
"132661"	205.195076	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"572225"	307.288976	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1044305"	103.101176	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"212208"	137.132476	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"648484"	205.195076	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1169893"	69.069876	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"432073"	426.409423	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"794159"	630.597223	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690489"	222.221623	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"336582"	213.7083495	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"727909"	315.8022495	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1485014"	111.6144495	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"402601"	431.364818	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"766878"	635.552618	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1613882"	227.177018	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"323917"	216.186047	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"713055"	318.279947	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1465783"	114.092147	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1057205"	76.39719	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1263989"	237.221286	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381469"	447.338758	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"746841"	651.526558	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1547803"	243.150958	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+K"	38.963158
"302793"	224.173017	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"697405"	326.266917	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458519"	122.079117	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"248214"	450.409426	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1221654"	246.221626	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207357"	123.614451	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"196947"	453.34676	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"638693"	657.53456	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1141480"	249.15896	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"180032"	227.177018	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"621778"	329.270918	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1127468"	125.083118	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1409898"	83.724504	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435451"	251.200546	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"228424"	232.21004	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1517580"	265.25259	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"416175"	235.163988	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"774986"	337.257888	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1673503"	133.070088	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"262209"	472.391368	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1228359"	268.203568	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1715422"	268.227093	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179075"	91.051818	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1656865"	273.182488	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"160452"	485.29464	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601106"	689.48244	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097648"	281.10684	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145716"	243.150958	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"588558"	345.244858	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080728"	141.057058	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1109563"	283.121392	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1343759"	283.209007	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1013391"	287.248176	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1533701"	288.241808	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1000147"	144.127726	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1599387"	289.156428	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1426504"	319.187938	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1154970"	164.641001	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1700147"	336.214485	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1640174"	341.16988	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1578013"	357.14382	"C09749"	"alpha-Ylangene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"814943"	204.1878	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M"	0
"977539"	185.16941	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75624"	135.117924	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"518488"	203.180524	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"889713"	67.055324	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6103"	203.180524	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"444566"	305.274424	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"820182"	101.086624	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"86733"	407.368324	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"523014"	611.556124	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"903005"	203.180524	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"55192"	424.394871	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"498399"	628.582671	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"871466"	220.207071	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"34989"	429.350266	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"478924"	633.538066	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"851257"	225.162466	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1624070"	225.162466	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"98412"	221.168863	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"537979"	323.262763	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"932587"	119.074963	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"273331"	443.345002	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"661011"	647.532802	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1272953"	239.157202	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"16336"	445.324206	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459906"	649.512006	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"836617"	241.136406	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1557186"	241.136406	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947262"	249.185994	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368759"	453.373801	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"347170"	467.389451	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1494547"	263.201651	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"961356"	271.167951	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"110378"	239.157202	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"549990"	341.251102	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1022996"	137.063302	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1241353"	283.106685	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1305386"	285.162672	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1324341"	307.144629	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"912482"	317.173386	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1289315"	353.150064	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376111"	169.175124	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1386317"	187.1851	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297305"	409.382876	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684625"	613.570676	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1366320"	205.195076	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H"	1.007276
"134958"	205.195076	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571243"	307.288976	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1045509"	103.101176	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"212316"	137.132476	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"649688"	205.195076	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1172190"	69.069876	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431090"	426.409423	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"792083"	630.597223	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690600"	222.221623	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"338879"	213.7083495	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"730206"	315.8022495	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1486217"	111.6144495	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"400524"	431.364818	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"766987"	635.552618	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611804"	227.177018	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320747"	216.186047	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"711344"	318.279947	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1466984"	114.092147	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1055492"	76.39719	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1263006"	237.221286	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381214"	447.338758	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"745857"	651.526558	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1545726"	243.150958	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+K"	38.963158
"302903"	224.173017	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"697515"	326.266917	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1460085"	122.079117	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249416"	450.409426	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1221399"	246.221626	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207102"	123.614451	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"197057"	453.34676	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"638439"	657.53456	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1139027"	249.15896	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"180130"	227.177018	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"620784"	329.270918	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122110"	125.083118	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404540"	83.724504	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435561"	251.200546	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"225254"	232.21004	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1517690"	265.25259	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"417378"	235.163988	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"775096"	337.257888	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1671426"	133.070088	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"262319"	472.391368	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1227740"	268.203568	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714076"	268.227093	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1178821"	91.051818	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1658069"	273.182488	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"159833"	485.29464	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601216"	689.48244	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1087549"	281.10684	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"144366"	243.150958	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"586481"	345.244858	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080838"	141.057058	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110766"	283.121392	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1342776"	283.209007	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017510"	287.248176	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1534905"	288.241808	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1002084"	144.127726	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600229"	289.156428	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427708"	319.187938	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1158360"	164.641001	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1709007"	336.214485	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1649033"	341.16988	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1578123"	357.14382	"C09750"	"Zingiberene;alpha-Zingiberene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"808490"	272.0685	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M"	0
"975093"	253.05011	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"69172"	180.371724	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"517123"	271.061224	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"892010"	89.682224	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"7306"	271.061224	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"446864"	407.095474	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"820292"	135.026974	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"85750"	543.129724	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"522031"	815.198224	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"899835"	271.061224	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"54209"	560.156271	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"497417"	832.224771	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"871576"	288.087771	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"34005"	565.111666	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"480127"	837.180166	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"855741"	293.043166	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1621993"	293.043166	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"100709"	289.049563	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"541370"	425.083813	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"932697"	153.015313	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"272348"	579.106402	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"662944"	851.174902	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1276806"	307.037902	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"19362"	581.085606	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"461475"	853.154106	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"836727"	309.017106	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1558390"	309.017106	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"946279"	317.066694	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"363402"	589.135201	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"347282"	603.150851	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1494292"	331.082351	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"960739"	339.048651	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"110020"	307.037902	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"549956"	443.072152	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1021367"	171.003652	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1241348"	350.987385	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1307319"	353.043372	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1324451"	375.025329	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"914780"	385.054086	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1291493"	421.030764	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1376221"	237.055824	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1389343"	255.0658	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"297658"	545.144276	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"688015"	817.212776	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1357803"	273.075776	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"135067"	273.075776	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"571352"	409.110026	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1042337"	137.041526	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"213520"	182.386276	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"654173"	273.075776	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1172300"	91.696776	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"432293"	562.170823	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"792193"	834.239323	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1690710"	290.102323	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"336802"	281.5890495	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"730317"	417.6232995	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1485234"	145.5547995	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"405008"	567.126218	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"764911"	839.194718	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1608634"	295.057718	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"320857"	284.066747	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"712183"	420.100997	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1468187"	148.032497	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1055602"	99.02409	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1258738"	305.101986	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"378042"	583.100158	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"742686"	855.168658	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1543646"	311.031658	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"301918"	292.053717	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"694343"	428.087967	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1456913"	156.019467	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"242234"	586.170826	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1221508"	314.102326	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1204297"	157.554801	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"196074"	589.10816	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"633445"	861.17666	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1136221"	317.03966	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"177324"	295.057718	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"618706"	431.091968	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1117474"	159.023468	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1404645"	106.351404	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1437852"	319.081246	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"226459"	300.09074	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1515615"	333.13329	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"417489"	303.044688	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"775206"	439.078938	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1671537"	167.010438	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"263523"	608.152768	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1228579"	336.084268	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1714550"	336.107793	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1182820"	113.678718	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1654899"	341.063188	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"162859"	621.05604	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"600233"	893.12454	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1088026"	348.98754	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"149216"	311.031658	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"589871"	447.065908	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1079491"	174.997408	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1109783"	351.002092	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1342887"	351.089707	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1013611"	355.128876	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1534652"	356.122508	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1000006"	178.068076	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1598152"	357.037128	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1424902"	387.068638	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1151909"	198.581351	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1709117"	404.095185	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1643676"	409.05058	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1578233"	425.02452	"C09751"	"Garbanzol;374-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"808600"	324.1362	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M"	0
"976299"	305.11781	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-H2O-H"	-19.01839
"69282"	215.083524	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M-3H"	-3.021828
"517354"	323.128924	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M-3H"	-3.021828
"889933"	107.038124	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-3H"	-3.021828
"11787"	323.128924	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M-2H"	-2.014552
"448068"	485.197024	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M-2H"	-2.014552
"822589"	161.060824	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-2H"	-2.014552
"85860"	647.265124	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M-H"	-1.007276
"521047"	971.401324	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M-H"	-1.007276
"903225"	323.128924	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-H"	-1.007276
"54319"	664.291671	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M-2H+NH4"	16.019271
"496066"	988.427871	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M-2H+NH4"	16.019271
"871682"	340.155471	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-2H+NH4"	16.019271
"35208"	669.247066	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M-2H+Na"	20.974666
"478051"	993.383266	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M-2H+Na"	20.974666
"855851"	345.110866	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-2H+Na"	20.974666
"1624290"	345.110866	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Na-2H"	20.974666
"101913"	341.117263	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M-H+Cl"	33.962126
"544761"	503.185363	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M-H+Cl"	33.962126
"936088"	179.049163	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-H+Cl"	33.962126
"279019"	683.241802	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+Cl"	34.969402
"670346"	1007.378002	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+Cl"	34.969402
"1280198"	359.105602	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Cl"	34.969402
"23120"	685.221006	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M-2H+K"	36.948606
"457210"	1009.357206	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M-2H+K"	36.948606
"837565"	361.084806	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-2H+K"	36.948606
"1558500"	361.084806	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+K-2H"	36.948606
"949670"	369.134394	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-H+HCOOH"	44.998194
"363512"	693.270601	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+HCOOH-H"	44.998201
"348122"	707.286251	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+Hac-H"	59.013851
"1494399"	383.150051	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Hac-H"	59.013851
"959019"	391.116351	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-H+NaCOOH"	66.980151
"110356"	359.105602	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+2Cl"	69.938804
"550116"	521.173702	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+2Cl"	69.938804
"1022487"	197.037502	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2Cl"	69.938804
"1245347"	403.055085	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Br"	78.918885
"1308524"	405.111072	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Cl+HCOOH"	80.974872
"1325291"	427.093029	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Cl+NaCOOH"	102.956829
"915257"	437.121786	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M-H+CF3COOH"	112.985586
"1292331"	473.098464	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Cl+CF3COOH"	148.962264
"1376331"	289.123524	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H-2H2O"	-35.012676
"1386901"	307.1335	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H-H2O"	-17.0027
"297284"	649.279676	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+H"	1.007276
"688126"	973.415876	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+H"	1.007276
"1362287"	325.143476	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H"	1.007276
"135177"	325.143476	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+2H"	2.014552
"570369"	487.211576	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+2H"	2.014552
"1044634"	163.075376	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2H"	2.014552
"215817"	217.098076	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+3H"	3.021828
"652097"	325.143476	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+3H"	3.021828
"1172410"	109.052676	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+3H"	3.021828
"437869"	666.306223	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+NH4"	18.033823
"794490"	990.442423	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+NH4"	18.033823
"1690821"	342.170023	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+NH4"	18.033823
"339099"	333.6567495	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+H+NH4"	19.041099
"730427"	495.7248495	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+H+NH4"	19.041099
"1487531"	171.5886495	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H+NH4"	19.041099
"402932"	671.261618	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+Na"	22.989218
"762834"	995.397818	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+Na"	22.989218
"1609836"	347.125418	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Na"	22.989218
"323154"	336.134447	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+H+Na"	23.996494
"715574"	498.202547	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+H+Na"	23.996494
"1467206"	174.066347	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H+Na"	23.996494
"1059359"	116.37999	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2H+Na"	25.00377
"1263220"	357.169686	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+CH3OH+H"	33.033486
"382888"	687.235558	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+K"	38.963158
"742796"	1011.371758	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+K"	38.963158
"1544850"	363.099358	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+K"	38.963158
"304216"	344.121417	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+H+K"	39.970434
"693360"	506.189517	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+H+K"	39.970434
"1455930"	182.053317	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H+K"	39.970434
"242344"	690.306226	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+ACN+H"	42.033826
"1221254"	366.170026	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+ACN+H"	42.033826
"1204407"	183.588651	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+ACN+2H"	43.041102
"196184"	693.24356	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+2Na-H"	44.97116
"633190"	1017.37976	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+2Na-H"	44.97116
"1139248"	369.10736	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2Na-H"	44.97116
"180351"	347.125418	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+2Na"	45.978436
"616265"	509.193518	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+2Na"	45.978436
"1123418"	185.057318	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2Na"	45.978436
"1405850"	123.707304	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H+2Na"	46.985712
"1440149"	371.148946	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H+HCOOH"	47.012746
"230944"	352.15844	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+3H2O+2H"	56.04448
"1521192"	385.20099	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+IsoProp+H"	61.06479
"423066"	355.112388	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+Na+K"	61.952376
"785482"	517.180488	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+Na+K"	61.952376
"1681084"	193.044288	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Na+K"	61.952376
"266550"	712.288168	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+ACN+Na"	64.015768
"1241004"	388.151968	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+ACN+Na"	64.015768
"1724137"	388.175493	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+NH4+HCOOH"	64.039293
"1189491"	131.034618	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+3Na"	68.967654
"1659383"	393.130888	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Na+HCOOH"	68.994688
"164055"	725.19144	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+2K-H"	76.91904
"606902"	1049.32764	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+2K-H"	76.91904
"1093603"	401.05524	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2K-H"	76.91904
"152606"	363.099358	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"2M+2K"	77.926316
"592897"	525.167458	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"3M+2K"	77.926316
"1074866"	201.031258	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2K"	77.926316
"1108438"	403.069792	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2K+H"	78.933592
"1344091"	403.157407	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+DMSO+H"	79.021207
"1012629"	407.196576	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2ACN+H"	83.060376
"1531845"	408.190208	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+IsoProp+Na+H"	84.054008
"997200"	204.101926	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+2ACN+2H"	84.067652
"1594981"	409.104828	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+K+HCOOH"	84.968628
"1426106"	439.136338	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+H+CF3COOH"	115.000138
"1158579"	224.615201	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+3ACN+2H"	125.094202
"1708134"	456.162885	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+NH4+CF3COOH"	132.026685
"1647066"	461.11828	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+Na+CF3COOH"	136.98208
"1578343"	477.09222	"C09752"	"Glabranin"	"C20H20O4"	"324.1362"	"M+K+CF3COOH"	152.95602
"809803"	340.1311	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M"	0
"975679"	321.11271	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"67205"	225.746790666667	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"518529"	339.123824	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"893323"	112.369757333333	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"12989"	339.123824	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"448178"	509.189374	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"822699"	169.058274	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"88156"	679.254924	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"522250"	1019.386024	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"906615"	339.123824	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"57708"	696.281471	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"496175"	1036.412571	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"875071"	356.150371	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"38598"	701.236866	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"481440"	1041.367966	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"858147"	361.105766	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1624400"	361.105766	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"103116"	357.112163	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"547058"	527.177713	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"934010"	187.046613	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"275848"	715.231602	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"668632"	1055.362702	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1281766"	375.100502	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"23230"	717.210806	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"461697"	1057.341906	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"836215"	377.079706	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1560433"	377.079706	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"949778"	385.129294	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"364347"	725.260401	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"348958"	739.276051	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1495242"	399.144951	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"958560"	407.111251	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"110628"	375.100502	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"550512"	545.166052	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1021701"	205.034952	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1242175"	419.049985	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1305109"	421.105972	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1323579"	443.087929	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"919376"	453.116686	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1288954"	489.093364	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1372067"	305.118424	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1386647"	323.1284	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"290344"	681.269476	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"690422"	1021.400576	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1360209"	341.138376	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"137473"	341.138376	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"577039"	511.203926	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1046931"	171.072826	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"217020"	227.761342666667	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"654393"	341.138376	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1173613"	114.384309333333	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"437251"	698.296023	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"797880"	1038.427123	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1694212"	358.164923	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"341762"	349.6516495	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"733819"	519.7171995	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1490557"	179.5860995	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"403042"	703.251418	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"768411"	1043.382518	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1611042"	363.120318	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"322171"	352.129347	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"711673"	522.194897	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1469504"	182.063797	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1061656"	121.711623333333	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1264424"	373.164586	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"382998"	719.225358	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"743999"	1059.356458	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1544959"	379.094258	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"299951"	360.116317	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"696749"	530.181867	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1457133"	190.050767	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"241361"	722.296026	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1220636"	382.164926	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1204515"	191.586101	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"196293"	725.23336	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"633299"	1065.36446	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1140452"	385.10226	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"181919"	363.120318	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"622573"	533.185868	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1124256"	193.054768	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1404867"	129.038937333333	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1438073"	387.143846	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"229958"	368.15334	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1521302"	401.19589	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"422082"	371.107288	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"780893"	541.172838	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1679290"	201.041738	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"266296"	744.277968	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1240221"	404.146868	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1722060"	404.170393	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1188507"	136.366251333333	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1658399"	409.125788	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"168540"	757.18124	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"603732"	1097.31234	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1091526"	417.05014	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"152716"	379.094258	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"592278"	549.159808	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1078256"	209.028708	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1108912"	419.064692	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1344201"	419.152307	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1014561"	423.191476	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1533048"	424.185108	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"998403"	212.099376	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1595091"	425.099728	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1424029"	455.131238	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1158689"	232.612651	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1703867"	472.157785	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1647176"	477.11318	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1578453"	493.08712	"C09753"	"Glepidotin B"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"808820"	420.142	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M"	0
"974316"	401.12361	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-H2O-H"	-19.01839
"66222"	279.087390666667	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M-3H"	-3.021828
"517816"	419.134724	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M-3H"	-3.021828
"889059"	139.040057333333	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-3H"	-3.021828
"12005"	419.134724	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M-2H"	-2.014552
"451563"	629.205724	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M-2H"	-2.014552
"827179"	209.063724	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-2H"	-2.014552
"86079"	839.276724	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M-H"	-1.007276
"521267"	1259.418724	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M-H"	-1.007276
"904538"	419.134724	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-H"	-1.007276
"54538"	856.303271	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M-2H+NH4"	16.019271
"497378"	1276.445271	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M-2H+NH4"	16.019271
"875181"	436.161271	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-2H+NH4"	16.019271
"36521"	861.258666	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M-2H+Na"	20.974666
"484830"	1281.400666	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M-2H+Na"	20.974666
"856070"	441.116666	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-2H+Na"	20.974666
"1626697"	441.116666	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Na-2H"	20.974666
"103225"	437.123063	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M-H+Cl"	33.962126
"547168"	647.194063	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M-H+Cl"	33.962126
"934120"	227.052063	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-H+Cl"	33.962126
"279237"	875.253402	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+Cl"	34.969402
"666555"	1295.395402	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+Cl"	34.969402
"1281876"	455.111402	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Cl"	34.969402
"25526"	877.232606	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M-2H+K"	36.948606
"461806"	1297.374606	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M-2H+K"	36.948606
"835233"	457.090606	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-2H+K"	36.948606
"1557992"	457.090606	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+K-2H"	36.948606
"953168"	465.140194	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-H+HCOOH"	44.998194
"368104"	885.282201	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+HCOOH-H"	44.998201
"347612"	899.297851	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+Hac-H"	59.013851
"1494988"	479.155851	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Hac-H"	59.013851
"958915"	487.122151	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-H+NaCOOH"	66.980151
"110698"	455.111402	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+2Cl"	69.938804
"550050"	665.182402	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+2Cl"	69.938804
"1021569"	245.040402	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2Cl"	69.938804
"1242041"	499.060885	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Br"	78.918885
"1304732"	501.116872	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Cl+HCOOH"	80.974872
"1324055"	523.098829	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Cl+NaCOOH"	102.956829
"915113"	533.127586	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M-H+CF3COOH"	112.985586
"1289263"	569.104264	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Cl+CF3COOH"	148.962264
"1367438"	385.129324	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H-2H2O"	-35.012676
"1385300"	403.1393	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H-H2O"	-17.0027
"290454"	841.291276	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+H"	1.007276
"687252"	1261.433276	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+H"	1.007276
"1361413"	421.149276	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H"	1.007276
"134304"	421.149276	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+2H"	2.014552
"577149"	631.220276	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+2H"	2.014552
"1048134"	211.078276	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2H"	2.014552
"216766"	281.101942666667	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+3H"	3.021828
"653410"	421.149276	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+3H"	3.021828
"1171535"	141.054609333333	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+3H"	3.021828
"433713"	858.317823	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+NH4"	18.033823
"796897"	1278.459823	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+NH4"	18.033823
"1694321"	438.175823	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+NH4"	18.033823
"341507"	429.6625495	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+H+NH4"	19.041099
"736117"	639.7335495	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+H+NH4"	19.041099
"1487752"	219.5915495	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H+NH4"	19.041099
"400963"	863.273218	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+Na"	22.989218
"767063"	1283.415218	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+Na"	22.989218
"1610059"	443.131218	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Na"	22.989218
"321188"	432.140247	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+H+Na"	23.996494
"712516"	642.211247	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+H+Na"	23.996494
"1464875"	222.069247	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H+Na"	23.996494
"1056663"	148.381923333333	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2H+Na"	25.00377
"1262350"	453.175486	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+CH3OH+H"	33.033486
"380922"	879.247158	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+K"	38.963158
"740829"	1299.389158	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+K"	38.963158
"1542882"	459.105158	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+K"	38.963158
"299694"	440.127217	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+H+K"	39.970434
"696859"	650.198217	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+H+K"	39.970434
"1457243"	230.056217	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H+K"	39.970434
"241471"	882.317826	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+ACN+H"	42.033826
"1221839"	462.175826	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+ACN+H"	42.033826
"1204625"	231.591551	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+ACN+2H"	43.041102
"194581"	885.25516	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+2Na-H"	44.97116
"633409"	1305.39716	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+2Na-H"	44.97116
"1138374"	465.11316	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2Na-H"	44.97116
"182029"	443.131218	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+2Na"	45.978436
"622320"	653.202218	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+2Na"	45.978436
"1122179"	233.060218	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2Na"	45.978436
"1404977"	155.709237333333	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H+2Na"	46.985712
"1440373"	467.154746	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H+HCOOH"	47.012746
"228974"	448.16424	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+3H2O+2H"	56.04448
"1519225"	481.20679	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+IsoProp+H"	61.06479
"421099"	451.118188	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+Na+K"	61.952376
"778815"	661.189188	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+Na+K"	61.952376
"1679521"	241.047188	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Na+K"	61.952376
"264946"	904.299768	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+ACN+Na"	64.015768
"1239843"	484.157768	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+ACN+Na"	64.015768
"1719254"	484.181293	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+NH4+HCOOH"	64.039293
"1182056"	163.036551333333	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+3Na"	68.967654
"1656322"	489.136688	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Na+HCOOH"	68.994688
"168651"	917.20304	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+2K-H"	76.91904
"603842"	1337.34504	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+2K-H"	76.91904
"1091636"	497.06104	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2K-H"	76.91904
"152826"	459.105158	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"2M+2K"	77.926316
"590200"	669.176158	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"3M+2K"	77.926316
"1079823"	249.034158	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2K"	77.926316
"1110115"	499.075592	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2K+H"	78.933592
"1343218"	499.163207	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+DMSO+H"	79.021207
"1018678"	503.202376	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2ACN+H"	83.060376
"1535344"	504.196008	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+IsoProp+Na+H"	84.054008
"1000696"	252.104826	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+2ACN+2H"	84.067652
"1597385"	505.110628	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+K+HCOOH"	84.968628
"1423046"	535.142138	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+H+CF3COOH"	115.000138
"1158799"	272.618101	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+3ACN+2H"	125.094202
"1702883"	552.168685	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+NH4+CF3COOH"	132.026685
"1647286"	557.12408	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+Na+CF3COOH"	136.98208
"1578563"	573.09802	"C09754"	"Glycyphyllin;Phloretin 2-O-rhamnoside"	"C21H24O9"	"420.142"	"M+K+CF3COOH"	152.95602
"808930"	610.1898	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M"	0
"974513"	591.17141	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-H2O-H"	-19.01839
"66332"	405.785924	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M-3H"	-3.021828
"516830"	609.182524	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M-3H"	-3.021828
"890263"	202.389324	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-3H"	-3.021828
"12117"	609.182524	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M-2H"	-2.014552
"448394"	914.277424	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M-2H"	-2.014552
"825102"	304.087624	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-2H"	-2.014552
"87281"	1219.372324	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M-H"	-1.007276
"525749"	1829.562124	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M-H"	-1.007276
"906466"	609.182524	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-H"	-1.007276
"54649"	1236.398871	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M-2H+NH4"	16.019271
"499677"	1846.588671	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M-2H+NH4"	16.019271
"876385"	626.209071	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-2H+NH4"	16.019271
"38818"	1241.354266	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M-2H+Na"	20.974666
"482754"	1851.544066	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M-2H+Na"	20.974666
"860554"	631.164466	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-2H+Na"	20.974666
"1623527"	631.164466	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Na-2H"	20.974666
"97867"	627.170863	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M-H+Cl"	33.962126
"543996"	932.265763	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M-H+Cl"	33.962126
"935323"	322.075963	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-H+Cl"	33.962126
"280077"	1255.349002	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+Cl"	34.969402
"669580"	1865.538802	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+Cl"	34.969402
"1279800"	645.159202	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Cl"	34.969402
"26729"	1257.328206	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M-2H+K"	36.948606
"461916"	1867.518006	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M-2H+K"	36.948606
"836803"	647.138406	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-2H+K"	36.948606
"1557010"	647.138406	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+K-2H"	36.948606
"953278"	655.187994	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-H+HCOOH"	44.998194
"371494"	1265.377801	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+HCOOH-H"	44.998201
"352097"	1279.393451	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+Hac-H"	59.013851
"1493273"	669.203651	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Hac-H"	59.013851
"959028"	677.169951	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-H+NaCOOH"	66.980151
"110486"	645.159202	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+2Cl"	69.938804
"550087"	950.254102	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+2Cl"	69.938804
"1021479"	340.064302	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2Cl"	69.938804
"1242152"	689.108685	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Br"	78.918885
"1304964"	691.164672	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Cl+HCOOH"	80.974872
"1329632"	713.146629	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Cl+NaCOOH"	102.956829
"918503"	723.175386	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M-H+CF3COOH"	112.985586
"1291203"	759.152064	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Cl+CF3COOH"	148.962264
"1367548"	575.177124	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H-2H2O"	-35.012676
"1385410"	593.1871	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H-H2O"	-17.0027
"287284"	1221.386876	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+H"	1.007276
"684082"	1831.576676	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+H"	1.007276
"1359336"	611.197076	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H"	1.007276
"133320"	611.197076	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+2H"	2.014552
"578352"	916.291976	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+2H"	2.014552
"1047150"	306.102176	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2H"	2.014552
"216147"	407.800476	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+3H"	3.021828
"653520"	611.197076	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+3H"	3.021828
"1172738"	204.403876	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+3H"	3.021828
"432730"	1238.413423	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+NH4"	18.033823
"797007"	1848.603223	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+NH4"	18.033823
"1695524"	628.223623	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+NH4"	18.033823
"343804"	619.7103495	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+H+NH4"	19.041099
"736591"	924.8052495	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+H+NH4"	19.041099
"1491509"	314.6154495	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H+NH4"	19.041099
"404353"	1243.368818	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+Na"	22.989218
"768510"	1853.558618	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+Na"	22.989218
"1609076"	633.179018	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Na"	22.989218
"319111"	622.188047	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+H+Na"	23.996494
"710439"	927.282947	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+H+Na"	23.996494
"1466079"	317.093147	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H+Na"	23.996494
"1058593"	211.73119	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2H+Na"	25.00377
"1261367"	643.223286	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+CH3OH+H"	33.033486
"382125"	1259.342758	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+K"	38.963158
"743118"	1869.532558	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+K"	38.963158
"1544082"	649.152958	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+K"	38.963158
"299805"	630.175017	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+H+K"	39.970434
"695876"	935.269917	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+H+K"	39.970434
"1445885"	325.080117	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H+K"	39.970434
"241581"	1262.413426	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+ACN+H"	42.033826
"1221949"	652.223626	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+ACN+H"	42.033826
"1204735"	326.615451	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+ACN+2H"	43.041102
"194690"	1265.35076	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+2Na-H"	44.97116
"632426"	1875.54056	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+2Na-H"	44.97116
"1139213"	655.16096	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2Na-H"	44.97116
"181046"	633.179018	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+2Na"	45.978436
"624617"	938.273918	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+2Na"	45.978436
"1127758"	328.084118	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2Na"	45.978436
"1409460"	219.058504	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H+2Na"	46.985712
"1440483"	657.202546	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H+HCOOH"	47.012746
"230179"	638.21204	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+3H2O+2H"	56.04448
"1521522"	671.25459	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+IsoProp+H"	61.06479
"420115"	641.165988	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+Na+K"	61.952376
"782205"	946.260888	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+Na+K"	61.952376
"1678539"	336.071088	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Na+K"	61.952376
"266638"	1284.395368	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+ACN+Na"	64.015768
"1240684"	674.205568	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+ACN+Na"	64.015768
"1720093"	674.229093	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+NH4+HCOOH"	64.039293
"1188726"	226.385818	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+3Na"	68.967654
"1658619"	679.184488	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Na+HCOOH"	68.994688
"169854"	1297.29864	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+2K-H"	76.91904
"603952"	1907.48844	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+2K-H"	76.91904
"1089194"	687.10884	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2K-H"	76.91904
"149656"	649.152958	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"2M+2K"	77.926316
"587030"	954.247858	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"3M+2K"	77.926316
"1080297"	344.058058	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2K"	77.926316
"1108039"	689.123392	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2K+H"	78.933592
"1343328"	689.211007	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+DMSO+H"	79.021207
"1019516"	693.250176	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2ACN+H"	83.060376
"1535454"	694.243808	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+IsoProp+Na+H"	84.054008
"999713"	347.128726	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+2ACN+2H"	84.067652
"1598588"	695.158428	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+K+HCOOH"	84.968628
"1423156"	725.189938	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+H+CF3COOH"	115.000138
"1158909"	367.642001	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+3ACN+2H"	125.094202
"1702993"	742.216485	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+NH4+CF3COOH"	132.026685
"1647396"	747.17188	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+Na+CF3COOH"	136.98208
"1578673"	763.14582	"C09755"	"Hesperidin;Hesperetin 7-O-rutinoside;Ciratin"	"C28H34O15"	"610.1898"	"M+K+CF3COOH"	152.95602
"809040"	302.079	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M"	0
"974832"	283.06061	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-H2O-H"	-19.01839
"66437"	200.378724	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M-3H"	-3.021828
"517184"	301.071724	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M-3H"	-3.021828
"888179"	99.685724	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-3H"	-3.021828
"10035"	301.071724	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M-2H"	-2.014552
"446315"	452.111224	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M-2H"	-2.014552
"824118"	150.032224	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-2H"	-2.014552
"81193"	603.150724	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M-H"	-1.007276
"523671"	905.229724	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M-H"	-1.007276
"897827"	301.071724	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-H"	-1.007276
"53665"	620.177271	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M-2H+NH4"	16.019271
"498694"	922.256271	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M-2H+NH4"	16.019271
"875401"	318.098271	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-2H+NH4"	16.019271
"38928"	625.132666	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M-2H+Na"	20.974666
"482864"	927.211666	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M-2H+Na"	20.974666
"862488"	323.053666	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-2H+Na"	20.974666
"1623637"	323.053666	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Na-2H"	20.974666
"97978"	319.060063	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M-H+Cl"	33.962126
"545199"	470.099563	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M-H+Cl"	33.962126
"933246"	168.020563	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-H+Cl"	33.962126
"279456"	639.127402	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+Cl"	34.969402
"669690"	941.206402	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+Cl"	34.969402
"1283190"	337.048402	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Cl"	34.969402
"20279"	641.106606	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M-2H+K"	36.948606
"460933"	943.185606	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M-2H+K"	36.948606
"835456"	339.027606	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-2H+K"	36.948606
"1557120"	339.027606	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+K-2H"	36.948606
"946828"	347.077194	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-H+HCOOH"	44.998194
"369418"	649.156201	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+HCOOH-H"	44.998201
"347834"	663.171851	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+Hac-H"	59.013851
"1492909"	361.092851	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Hac-H"	59.013851
"958778"	369.059151	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-H+NaCOOH"	66.980151
"110435"	337.048402	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+2Cl"	69.938804
"550237"	488.087902	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+2Cl"	69.938804
"1022560"	186.008902	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2Cl"	69.938804
"1242504"	380.997885	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Br"	78.918885
"1304950"	383.053872	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Cl+HCOOH"	80.974872
"1320628"	405.035829	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Cl+NaCOOH"	102.956829
"911684"	415.064586	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M-H+CF3COOH"	112.985586
"1288958"	451.041264	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Cl+CF3COOH"	148.962264
"1367252"	267.066324	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H-2H2O"	-35.012676
"1382882"	285.0763	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H-H2O"	-17.0027
"290674"	605.165276	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+H"	1.007276
"680911"	907.244276	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+H"	1.007276
"1359447"	303.086276	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H"	1.007276
"130149"	303.086276	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+2H"	2.014552
"578462"	454.125776	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+2H"	2.014552
"1047260"	152.046776	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2H"	2.014552
"215164"	202.393276	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+3H"	3.021828
"652537"	303.086276	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+3H"	3.021828
"1172848"	101.700276	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+3H"	3.021828
"432840"	622.191823	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+NH4"	18.033823
"797117"	924.270823	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+NH4"	18.033823
"1695634"	320.112823	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+NH4"	18.033823
"344278"	311.5995495	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+H+NH4"	19.041099
"737189"	462.6390495	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+H+NH4"	19.041099
"1491253"	160.5600495	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H+NH4"	19.041099
"404099"	627.147218	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+Na"	22.989218
"765824"	929.226218	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+Na"	22.989218
"1608091"	325.068218	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Na"	22.989218
"319222"	314.077247	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+H+Na"	23.996494
"711638"	465.116747	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+H+Na"	23.996494
"1468741"	163.037747	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H+Na"	23.996494
"1059798"	109.02759	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2H+Na"	25.00377
"1262569"	335.112486	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+CH3OH+H"	33.033486
"382235"	643.121158	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+K"	38.963158
"744325"	945.200158	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+K"	38.963158
"1543101"	341.042158	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+K"	38.963158
"299915"	322.064217	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+H+K"	39.970434
"693800"	473.103717	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+H+K"	39.970434
"1445916"	171.024717	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H+K"	39.970434
"241691"	646.191826	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+ACN+H"	42.033826
"1219873"	344.112826	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+ACN+H"	42.033826
"1203752"	172.560051	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+ACN+2H"	43.041102
"196622"	649.12916	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+2Na-H"	44.97116
"632536"	951.20816	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+2Na-H"	44.97116
"1138598"	347.05016	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2Na-H"	44.97116
"180793"	325.068218	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+2Na"	45.978436
"622539"	476.107718	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+2Na"	45.978436
"1123860"	174.028718	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2Na"	45.978436
"1408477"	116.354904	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H+2Na"	46.985712
"1441321"	349.091746	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H+HCOOH"	47.012746
"228103"	330.10124	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+3H2O+2H"	56.04448
"1518353"	363.14379	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+IsoProp+H"	61.06479
"418039"	333.055188	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+Na+K"	61.952376
"781222"	484.094688	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+Na+K"	61.952376
"1676461"	182.015688	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Na+K"	61.952376
"266019"	668.173768	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+ACN+Na"	64.015768
"1240066"	366.094768	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+ACN+Na"	64.015768
"1724576"	366.118293	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+NH4+HCOOH"	64.039293
"1187743"	123.682218	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+3Na"	68.967654
"1660916"	371.073688	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Na+HCOOH"	68.994688
"170696"	681.07704	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+2K-H"	76.91904
"604062"	983.15604	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+2K-H"	76.91904
"1088575"	378.99804	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2K-H"	76.91904
"148673"	341.042158	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"2M+2K"	77.926316
"587140"	492.081658	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"3M+2K"	77.926316
"1080407"	190.002658	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2K"	77.926316
"1108149"	381.012592	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2K+H"	78.933592
"1342345"	381.100207	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+DMSO+H"	79.021207
"1018534"	385.139376	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2ACN+H"	83.060376
"1534470"	386.133008	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+IsoProp+Na+H"	84.054008
"999823"	193.073326	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+2ACN+2H"	84.067652
"1595418"	387.047628	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+K+HCOOH"	84.968628
"1427639"	417.079138	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+H+CF3COOH"	115.000138
"1155739"	213.586601	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+3ACN+2H"	125.094202
"1699823"	434.105685	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+NH4+CF3COOH"	132.026685
"1647506"	439.06108	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+Na+CF3COOH"	136.98208
"1578783"	455.03502	"C09756"	"Homoeriodictyol;Eriodictyol 3-methyl ether"	"C16H14O6"	"302.079"	"M+K+CF3COOH"	152.95602
"803682"	226.0994	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M"	0
"974287"	207.08101	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-H2O-H"	-19.01839
"62877"	149.725657333333	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M-3H"	-3.021828
"512675"	225.092124	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M-3H"	-3.021828
"887196"	74.3591906666667	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-3H"	-3.021828
"6866"	225.092124	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M-2H"	-2.014552
"445331"	338.141824	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M-2H"	-2.014552
"817660"	112.042424	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-2H"	-2.014552
"78674"	451.191524	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M-H"	-1.007276
"519148"	677.290924	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M-H"	-1.007276
"896469"	225.092124	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-H"	-1.007276
"48778"	468.218071	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M-2H+NH4"	16.019271
"491148"	694.317471	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M-2H+NH4"	16.019271
"866397"	242.118671	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-2H+NH4"	16.019271
"31940"	473.173466	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M-2H+Na"	20.974666
"472188"	699.272866	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M-2H+Na"	20.974666
"850933"	247.074066	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-2H+Na"	20.974666
"1619371"	247.074066	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Na-2H"	20.974666
"94832"	243.080463	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M-H+Cl"	33.962126
"547495"	356.130163	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M-H+Cl"	33.962126
"938822"	130.030763	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-H+Cl"	33.962126
"281027"	487.168202	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+Cl"	34.969402
"664332"	713.267602	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+Cl"	34.969402
"1280019"	261.068802	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Cl"	34.969402
"23669"	489.147406	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M-2H+K"	36.948606
"459948"	715.246806	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M-2H+K"	36.948606
"842126"	263.048006	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-2H+K"	36.948606
"1565613"	263.048006	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+K-2H"	36.948606
"946938"	271.097594	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-H+HCOOH"	44.998194
"365153"	497.197001	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+HCOOH-H"	44.998201
"350130"	511.212651	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+Hac-H"	59.013851
"1493493"	285.113251	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Hac-H"	59.013851
"958962"	293.079551	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-H+NaCOOH"	66.980151
"111636"	261.068802	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+2Cl"	69.938804
"550023"	374.118502	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+2Cl"	69.938804
"1022671"	148.019102	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2Cl"	69.938804
"1243341"	305.018285	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Br"	78.918885
"1311263"	307.074272	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Cl+HCOOH"	80.974872
"1324019"	329.056229	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Cl+NaCOOH"	102.956829
"919815"	339.084986	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M-H+CF3COOH"	112.985586
"1293243"	375.061664	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Cl+CF3COOH"	148.962264
"1367186"	191.086724	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H-2H2O"	-35.012676
"1385989"	209.0967	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H-H2O"	-17.0027
"287503"	453.206076	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+H"	1.007276
"681020"	679.305476	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+H"	1.007276
"1352265"	227.106676	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H"	1.007276
"131352"	227.106676	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+2H"	2.014552
"580515"	340.156376	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+2H"	2.014552
"1052480"	114.056976	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2H"	2.014552
"218552"	151.740209333333	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+3H"	3.021828
"657020"	227.106676	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+3H"	3.021828
"1172957"	76.3737426666667	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+3H"	3.021828
"435135"	470.232623	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+NH4"	18.033823
"800385"	696.332023	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+NH4"	18.033823
"1690274"	244.133223	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+NH4"	18.033823
"338554"	235.6199495	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+H+NH4"	19.041099
"734257"	348.6696495	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+H+NH4"	19.041099
"1488081"	122.5702495	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H+NH4"	19.041099
"402386"	475.188018	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+Na"	22.989218
"763383"	701.287418	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+Na"	22.989218
"1610385"	249.088618	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Na"	22.989218
"321514"	238.097647	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+H+Na"	23.996494
"712841"	351.147347	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+H+Na"	23.996494
"1469941"	125.047947	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H+Na"	23.996494
"1062093"	83.7010566666667	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2H+Na"	25.00377
"1265957"	259.132886	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+CH3OH+H"	33.033486
"382344"	491.161958	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+K"	38.963158
"741153"	717.261358	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+K"	38.963158
"1544300"	265.062558	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+K"	38.963158
"303669"	246.084617	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+H+K"	39.970434
"692451"	359.134317	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+H+K"	39.970434
"1449912"	133.034917	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H+K"	39.970434
"237790"	494.232626	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+ACN+H"	42.033826
"1217793"	268.133226	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+ACN+H"	42.033826
"1203862"	134.570251	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+ACN+2H"	43.041102
"191992"	497.16996	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+2Na-H"	44.97116
"633739"	723.26936	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+2Na-H"	44.97116
"1139800"	271.07056	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2Na-H"	44.97116
"179445"	249.088618	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+2Na"	45.978436
"616816"	362.138318	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+2Na"	45.978436
"1121784"	136.038918	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2Na"	45.978436
"1406401"	91.0283706666667	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H+2Na"	46.985712
"1437420"	273.112146	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H+HCOOH"	47.012746
"226021"	254.12164	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+3H2O+2H"	56.04448
"1516273"	287.16419	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+IsoProp+H"	61.06479
"414866"	257.075588	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+Na+K"	61.952376
"773676"	370.125288	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+Na+K"	61.952376
"1668913"	144.025888	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Na+K"	61.952376
"256527"	516.214568	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+ACN+Na"	64.015768
"1232518"	290.115168	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+ACN+Na"	64.015768
"1723592"	290.138693	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+NH4+HCOOH"	64.039293
"1183478"	98.3556846666667	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+3Na"	68.967654
"1657745"	295.094088	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Na+HCOOH"	68.994688
"159138"	529.11784	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+2K-H"	76.91904
"602714"	755.21724	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+2K-H"	76.91904
"1087591"	303.01844	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2K-H"	76.91904
"144773"	265.062558	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"2M+2K"	77.926316
"585063"	378.112258	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"3M+2K"	77.926316
"1080152"	152.012858	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2K"	77.926316
"1108258"	305.032992	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2K+H"	78.933592
"1342454"	305.120607	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+DMSO+H"	79.021207
"1020103"	309.159776	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2ACN+H"	83.060376
"1537861"	310.153408	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+IsoProp+Na+H"	84.054008
"1001026"	155.083526	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+2ACN+2H"	84.067652
"1597714"	311.068028	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+K+HCOOH"	84.968628
"1427749"	341.099538	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+H+CF3COOH"	115.000138
"1155849"	175.596801	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+3ACN+2H"	125.094202
"1699933"	358.126085	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+NH4+CF3COOH"	132.026685
"1647616"	363.08148	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+Na+CF3COOH"	136.98208
"1578893"	379.05542	"C09757"	"7-Hydroxyflavan"	"C15H14O2"	"226.0994"	"M+K+CF3COOH"	152.95602
"802699"	542.1213	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M"	0
"974541"	523.10291	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-H2O-H"	-19.01839
"63377"	360.406924	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M-3H"	-3.021828
"511692"	541.114024	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M-3H"	-3.021828
"885120"	179.699824	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-3H"	-3.021828
"4789"	541.114024	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M-2H"	-2.014552
"444348"	812.174674	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M-2H"	-2.014552
"817569"	270.053374	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-2H"	-2.014552
"80187"	1083.235324	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M-H"	-1.007276
"519503"	1625.356624	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M-H"	-1.007276
"897793"	541.114024	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-H"	-1.007276
"49857"	1100.261871	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M-2H+NH4"	16.019271
"487839"	1642.383171	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M-2H+NH4"	16.019271
"865521"	558.140571	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-2H+NH4"	16.019271
"32583"	1105.217266	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M-2H+Na"	20.974666
"471770"	1647.338566	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M-2H+Na"	20.974666
"851043"	563.095966	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-2H+Na"	20.974666
"1619479"	563.095966	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Na-2H"	20.974666
"95148"	559.102363	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M-H+Cl"	33.962126
"546511"	830.163013	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M-H+Cl"	33.962126
"935652"	288.041713	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-H+Cl"	33.962126
"279676"	1119.212002	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+Cl"	34.969402
"664442"	1661.333302	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+Cl"	34.969402
"1280129"	577.090702	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Cl"	34.969402
"23779"	1121.191206	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M-2H+K"	36.948606
"461151"	1663.312506	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M-2H+K"	36.948606
"842236"	579.069906	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-2H+K"	36.948606
"1565723"	579.069906	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+K-2H"	36.948606
"949235"	587.119494	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-H+HCOOH"	44.998194
"367451"	1129.240801	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+HCOOH-H"	44.998201
"349147"	1143.256451	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+Hac-H"	59.013851
"1493842"	601.135151	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Hac-H"	59.013851
"959681"	609.101451	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-H+NaCOOH"	66.980151
"113327"	577.090702	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+2Cl"	69.938804
"550577"	848.151352	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+2Cl"	69.938804
"1022900"	306.030052	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2Cl"	69.938804
"1244179"	621.040185	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Br"	78.918885
"1310280"	623.096172	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Cl+HCOOH"	80.974872
"1323764"	645.078129	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Cl+NaCOOH"	102.956829
"918832"	655.106886	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M-H+CF3COOH"	112.985586
"1291894"	691.083564	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Cl+CF3COOH"	148.962264
"1369688"	507.108624	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H-2H2O"	-35.012676
"1385371"	525.1186	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H-H2O"	-17.0027
"287613"	1085.249876	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+H"	1.007276
"681127"	1627.371176	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+H"	1.007276
"1358570"	543.128576	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H"	1.007276
"130366"	543.128576	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+2H"	2.014552
"579774"	814.189226	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+2H"	2.014552
"1047480"	272.067926	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2H"	2.014552
"213194"	362.421476	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+3H"	3.021828
"653850"	543.128576	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+3H"	3.021828
"1170881"	181.714376	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+3H"	3.021828
"431965"	1102.276423	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+NH4"	18.033823
"795148"	1644.397723	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+NH4"	18.033823
"1690385"	560.155123	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+NH4"	18.033823
"337571"	551.6418495	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+H+NH4"	19.041099
"734367"	822.7024995	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+H+NH4"	19.041099
"1486005"	280.5811995	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H+NH4"	19.041099
"400310"	1107.231818	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+Na"	22.989218
"761306"	1649.353118	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+Na"	22.989218
"1606124"	565.110518	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Na"	22.989218
"322719"	554.119547	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+H+Na"	23.996494
"716231"	825.180197	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+H+Na"	23.996494
"1465678"	283.058897	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H+Na"	23.996494
"1062205"	189.04169	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2H+Na"	25.00377
"1263881"	575.154786	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+CH3OH+H"	33.033486
"381360"	1123.205758	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+K"	38.963158
"741265"	1665.327058	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+K"	38.963158
"1542222"	581.084458	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+K"	38.963158
"299761"	562.106517	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+H+K"	39.970434
"692425"	833.167167	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+H+K"	39.970434
"1450022"	291.045867	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H+K"	39.970434
"237535"	1126.276426	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+ACN+H"	42.033826
"1218996"	584.155126	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+ACN+H"	42.033826
"1201785"	292.581201	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+ACN+2H"	43.041102
"189915"	1129.21376	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+2Na-H"	44.97116
"631663"	1671.33506	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+2Na-H"	44.97116
"1139910"	587.09246	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2Na-H"	44.97116
"179920"	565.110518	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+2Na"	45.978436
"618019"	836.171168	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+2Na"	45.978436
"1121893"	294.049868	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2Na"	45.978436
"1406511"	196.369004	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H+2Na"	46.985712
"1437530"	589.134046	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H+HCOOH"	47.012746
"228318"	570.14354	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+3H2O+2H"	56.04448
"1514194"	603.18609	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+IsoProp+H"	61.06479
"417163"	573.097488	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+Na+K"	61.952376
"777066"	844.158138	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+Na+K"	61.952376
"1670117"	302.036838	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Na+K"	61.952376
"256637"	1148.258368	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+ACN+Na"	64.015768
"1229348"	606.137068	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+ACN+Na"	64.015768
"1723702"	606.160593	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+NH4+HCOOH"	64.039293
"1185775"	203.696318	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+3Na"	68.967654
"1657855"	611.115988	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Na+HCOOH"	68.994688
"158519"	1161.16164	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+2K-H"	76.91904
"603553"	1703.28294	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+2K-H"	76.91904
"1085514"	619.04034	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2K-H"	76.91904
"144883"	581.084458	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"2M+2K"	77.926316
"583350"	852.145108	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"3M+2K"	77.926316
"1080626"	310.023808	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2K"	77.926316
"1107274"	621.054892	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2K+H"	78.933592
"1340377"	621.142507	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+DMSO+H"	79.021207
"1019849"	625.181676	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2ACN+H"	83.060376
"1538580"	626.175308	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+IsoProp+Na+H"	84.054008
"1000043"	313.094476	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+2ACN+2H"	84.067652
"1595638"	627.089928	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+K+HCOOH"	84.968628
"1426766"	657.121438	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+H+CF3COOH"	115.000138
"1155959"	333.607751	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+3ACN+2H"	125.094202
"1700407"	674.147985	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+NH4+CF3COOH"	132.026685
"1647726"	679.10338	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+Na+CF3COOH"	136.98208
"1579003"	695.07732	"C09758"	"Isochamaejasmin;33-Binaringenin"	"C30H22O10"	"542.1213"	"M+K+CF3COOH"	152.95602
"801913"	378.1467	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M"	0
"974918"	359.12831	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-H2O-H"	-19.01839
"65673"	251.090524	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M-3H"	-3.021828
"511802"	377.139424	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M-3H"	-3.021828
"880855"	125.041624	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-3H"	-3.021828
"4897"	377.139424	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M-2H"	-2.014552
"445552"	566.212774	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M-2H"	-2.014552
"818979"	188.066074	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-2H"	-2.014552
"81514"	755.286124	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M-H"	-1.007276
"519130"	1133.432824	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M-H"	-1.007276
"897783"	377.139424	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-H"	-1.007276
"48512"	772.312671	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M-2H+NH4"	16.019271
"487832"	1150.459371	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M-2H+NH4"	16.019271
"865270"	394.165971	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-2H+NH4"	16.019271
"32693"	777.268066	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M-2H+Na"	20.974666
"472616"	1155.414766	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M-2H+Na"	20.974666
"851274"	399.121366	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-2H+Na"	20.974666
"1618977"	399.121366	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Na-2H"	20.974666
"95378"	395.127763	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M-H+Cl"	33.962126
"548566"	584.201113	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M-H+Cl"	33.962126
"941230"	206.054413	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-H+Cl"	33.962126
"282750"	791.262802	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+Cl"	34.969402
"670019"	1169.409502	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+Cl"	34.969402
"1286799"	413.116102	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Cl"	34.969402
"28263"	793.242006	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M-2H+K"	36.948606
"466728"	1171.388706	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M-2H+K"	36.948606
"842346"	415.095306	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-2H+K"	36.948606
"1565833"	415.095306	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+K-2H"	36.948606
"952625"	423.144894	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-H+HCOOH"	44.998194
"367561"	801.291601	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+HCOOH-H"	44.998201
"347070"	815.307251	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+Hac-H"	59.013851
"1493711"	437.160551	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Hac-H"	59.013851
"959185"	445.126851	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-H+NaCOOH"	66.980151
"112349"	413.116102	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+2Cl"	69.938804
"551784"	602.189452	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+2Cl"	69.938804
"1023257"	224.042752	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2Cl"	69.938804
"1243562"	457.065585	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Br"	78.918885
"1306016"	459.121572	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Cl+HCOOH"	80.974872
"1331166"	481.103529	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Cl+NaCOOH"	102.956829
"916757"	491.132286	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M-H+CF3COOH"	112.985586
"1290182"	527.108964	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Cl+CF3COOH"	148.962264
"1369799"	343.134024	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H-2H2O"	-35.012676
"1384023"	361.144	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H-H2O"	-17.0027
"291003"	757.300676	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+H"	1.007276
"685612"	1135.447376	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+H"	1.007276
"1357588"	379.153976	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H"	1.007276
"132664"	379.153976	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+2H"	2.014552
"580613"	568.227326	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+2H"	2.014552
"1051601"	190.080626	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2H"	2.014552
"215128"	253.105076	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+3H"	3.021828
"655053"	379.153976	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+3H"	3.021828
"1170991"	127.056176	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+3H"	3.021828
"434262"	774.327223	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+NH4"	18.033823
"799635"	1152.473923	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+NH4"	18.033823
"1693776"	396.180523	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+NH4"	18.033823
"345339"	387.6672495	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+H+NH4"	19.041099
"736667"	576.7405995	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+H+NH4"	19.041099
"1487208"	198.5938995	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H+NH4"	19.041099
"399327"	779.282618	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+Na"	22.989218
"761415"	1157.429318	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+Na"	22.989218
"1612795"	401.135918	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Na"	22.989218
"323922"	390.144947	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+H+Na"	23.996494
"719624"	579.218297	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+H+Na"	23.996494
"1472353"	201.071597	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H+Na"	23.996494
"1063410"	134.38349	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2H+Na"	25.00377
"1263993"	411.180186	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+CH3OH+H"	33.033486
"384753"	795.256558	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+K"	38.963158
"747934"	1173.403258	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+K"	38.963158
"1543428"	417.109858	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+K"	38.963158
"302787"	398.131917	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+H+K"	39.970434
"694481"	587.205267	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+H+K"	39.970434
"1447208"	209.058567	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H+K"	39.970434
"239829"	798.327226	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+ACN+H"	42.033826
"1223847"	420.180526	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+ACN+H"	42.033826
"1206271"	210.593901	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+ACN+2H"	43.041102
"198045"	801.26456	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+2Na-H"	44.97116
"631045"	1179.41126	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+2Na-H"	44.97116
"1140019"	423.11786	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2Na-H"	44.97116
"180030"	401.135918	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+2Na"	45.978436
"618496"	590.209268	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+2Na"	45.978436
"1121276"	212.062568	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2Na"	45.978436
"1402247"	141.710804	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H+2Na"	46.985712
"1436550"	425.159446	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H+HCOOH"	47.012746
"229523"	406.16894	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+3H2O+2H"	56.04448
"1514304"	439.21149	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+IsoProp+H"	61.06479
"416181"	409.122888	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+Na+K"	61.952376
"774988"	598.196238	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+Na+K"	61.952376
"1669133"	220.049538	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Na+K"	61.952376
"255653"	820.309168	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+ACN+Na"	64.015768
"1232738"	442.162468	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+ACN+Na"	64.015768
"1725999"	442.185993	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+NH4+HCOOH"	64.039293
"1185885"	149.038118	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+3Na"	68.967654
"1657965"	447.141388	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Na+HCOOH"	68.994688
"161545"	833.21244	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+2K-H"	76.91904
"603299"	1211.35914	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+2K-H"	76.91904
"1087813"	455.06574	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2K-H"	76.91904
"143536"	417.109858	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"2M+2K"	77.926316
"584190"	606.183208	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"3M+2K"	77.926316
"1077456"	228.036508	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2K"	77.926316
"1107384"	457.080292	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2K+H"	78.933592
"1342673"	457.167907	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+DMSO+H"	79.021207
"1020567"	461.207076	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2ACN+H"	83.060376
"1539055"	462.200708	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+IsoProp+Na+H"	84.054008
"997966"	231.107176	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+2ACN+2H"	84.067652
"1595748"	463.115328	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+K+HCOOH"	84.968628
"1425783"	493.146838	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+H+CF3COOH"	115.000138
"1149509"	251.620451	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+3ACN+2H"	125.094202
"1699057"	510.173385	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+NH4+CF3COOH"	132.026685
"1646743"	515.12878	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+Na+CF3COOH"	136.98208
"1579113"	531.10272	"C09759"	"Isouvaretin;1-(46-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone"	"C23H22O5"	"378.1467"	"M+K+CF3COOH"	152.95602
"803282"	394.2144	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M"	0
"974406"	375.19601	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-H2O-H"	-19.01839
"66876"	261.802324	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M-3H"	-3.021828
"509725"	393.207124	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M-3H"	-3.021828
"880965"	130.397524	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-3H"	-3.021828
"2822"	393.207124	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M-2H"	-2.014552
"441284"	590.314324	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M-2H"	-2.014552
"817995"	196.099924	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-2H"	-2.014552
"79029"	787.421524	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M-H"	-1.007276
"518539"	1181.635924	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M-H"	-1.007276
"896188"	393.207124	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-H"	-1.007276
"47525"	804.448071	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M-2H+NH4"	16.019271
"487331"	1198.662471	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M-2H+NH4"	16.019271
"864525"	410.233671	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-2H+NH4"	16.019271
"31660"	809.403466	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M-2H+Na"	20.974666
"471756"	1203.617866	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M-2H+Na"	20.974666
"851262"	415.189066	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-2H+Na"	20.974666
"1618521"	415.189066	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Na-2H"	20.974666
"94558"	411.195463	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M-H+Cl"	33.962126
"548554"	608.302663	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M-H+Cl"	33.962126
"939154"	214.088263	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-H+Cl"	33.962126
"278802"	823.398202	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+Cl"	34.969402
"667941"	1217.612602	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+Cl"	34.969402
"1283629"	429.183802	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Cl"	34.969402
"23998"	825.377406	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M-2H+K"	36.948606
"460278"	1219.591806	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M-2H+K"	36.948606
"842456"	431.163006	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-2H+K"	36.948606
"1570076"	431.163006	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+K-2H"	36.948606
"957110"	439.212594	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-H+HCOOH"	44.998194
"372045"	833.427001	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+HCOOH-H"	44.998201
"350462"	847.442651	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+Hac-H"	59.013851
"1492891"	453.228251	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Hac-H"	59.013851
"959052"	461.194551	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-H+NaCOOH"	66.980151
"111358"	429.183802	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+2Cl"	69.938804
"550919"	626.291002	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+2Cl"	69.938804
"1022637"	232.076602	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2Cl"	69.938804
"1241851"	473.133285	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Br"	78.918885
"1305394"	475.189272	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Cl+HCOOH"	80.974872
"1322164"	497.171229	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Cl+NaCOOH"	102.956829
"913951"	507.199986	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M-H+CF3COOH"	112.985586
"1291751"	543.176664	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Cl+CF3COOH"	148.962264
"1369909"	359.201724	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H-2H2O"	-35.012676
"1385226"	377.2117	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H-H2O"	-17.0027
"284917"	789.436076	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+H"	1.007276
"681349"	1183.650476	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+H"	1.007276
"1358793"	395.221676	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H"	1.007276
"132776"	395.221676	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+2H"	2.014552
"577806"	592.328876	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+2H"	2.014552
"1043322"	198.114476	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2H"	2.014552
"219369"	263.816876	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+3H"	3.021828
"655164"	395.221676	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+3H"	3.021828
"1171101"	132.412076	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+3H"	3.021828
"433280"	806.462623	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+NH4"	18.033823
"799379"	1200.677023	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+NH4"	18.033823
"1694982"	412.248223	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+NH4"	18.033823
"341075"	403.7349495	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+H+NH4"	19.041099
"732403"	600.8421495	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+H+NH4"	19.041099
"1484037"	206.6277495	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H+NH4"	19.041099
"398343"	811.418018	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+Na"	22.989218
"759338"	1205.632418	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+Na"	22.989218
"1608531"	417.203618	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Na"	22.989218
"321846"	406.212647	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+H+Na"	23.996494
"717548"	603.319847	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+H+Na"	23.996494
"1471369"	209.105447	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H+Na"	23.996494
"1066679"	139.73939	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2H+Na"	25.00377
"1264103"	427.247886	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+CH3OH+H"	33.033486
"384863"	827.391958	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+K"	38.963158
"746951"	1221.606358	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+K"	38.963158
"1542446"	433.177558	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+K"	38.963158
"300712"	414.199617	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+H+K"	39.970434
"692042"	611.306817	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+H+K"	39.970434
"1446593"	217.092417	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H+K"	39.970434
"239939"	830.462626	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+ACN+H"	42.033826
"1219216"	436.248226	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+ACN+H"	42.033826
"1202005"	218.627751	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+ACN+2H"	43.041102
"195970"	833.39996	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+2Na-H"	44.97116
"637719"	1227.61436	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+2Na-H"	44.97116
"1139769"	439.18556	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2Na-H"	44.97116
"181235"	417.203618	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+2Na"	45.978436
"620067"	614.310818	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+2Na"	45.978436
"1121021"	220.096418	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2Na"	45.978436
"1403449"	147.066704	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H+2Na"	46.985712
"1438846"	441.227146	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H+HCOOH"	47.012746
"228540"	422.23664	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+3H2O+2H"	56.04448
"1518429"	455.27919	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+IsoProp+H"	61.06479
"418477"	425.190588	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+Na+K"	61.952376
"777285"	622.297788	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+Na+K"	61.952376
"1670336"	228.083388	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Na+K"	61.952376
"257949"	852.444568	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+ACN+Na"	64.015768
"1233941"	458.230168	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+ACN+Na"	64.015768
"1725015"	458.253693	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+NH4+HCOOH"	64.039293
"1189276"	154.394018	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+3Na"	68.967654
"1658075"	463.209088	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Na+HCOOH"	68.994688
"160562"	865.34784	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+2K-H"	76.91904
"604502"	1259.56224	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+2K-H"	76.91904
"1089016"	471.13344	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2K-H"	76.91904
"143888"	433.177558	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"2M+2K"	77.926316
"584300"	630.284758	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"3M+2K"	77.926316
"1076473"	236.070358	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2K"	77.926316
"1107494"	473.147992	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2K+H"	78.933592
"1341690"	473.235607	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+DMSO+H"	79.021207
"1020964"	477.274776	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2ACN+H"	83.060376
"1539651"	478.268408	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+IsoProp+Na+H"	84.054008
"999170"	239.141026	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+2ACN+2H"	84.067652
"1599141"	479.183028	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+K+HCOOH"	84.968628
"1426986"	509.214538	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+H+CF3COOH"	115.000138
"1152900"	259.654301	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+3ACN+2H"	125.094202
"1697343"	526.241085	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+NH4+CF3COOH"	132.026685
"1647946"	531.19648	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+Na+CF3COOH"	136.98208
"1579223"	547.17042	"C09760"	"Kazinol A"	"C25H30O4"	"394.2144"	"M+K+CF3COOH"	152.95602
"802056"	588.1268	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M"	0
"974340"	569.10841	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-H2O-H"	-19.01839
"63706"	391.077257333333	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M-3H"	-3.021828
"503637"	587.119524	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M-3H"	-3.021828
"880015"	195.034990666667	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-3H"	-3.021828
"745"	587.119524	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M-2H"	-2.014552
"441395"	881.182924	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M-2H"	-2.014552
"817375"	293.056124	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-2H"	-2.014552
"78708"	1175.246324	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M-H"	-1.007276
"518857"	1763.373124	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M-H"	-1.007276
"896179"	587.119524	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-H"	-1.007276
"47997"	1192.272871	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M-2H+NH4"	16.019271
"487437"	1780.399671	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M-2H+NH4"	16.019271
"864245"	604.146071	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-2H+NH4"	16.019271
"31493"	1197.228266	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M-2H+Na"	20.974666
"471783"	1785.355066	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M-2H+Na"	20.974666
"849550"	609.101466	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-2H+Na"	20.974666
"1618589"	609.101466	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Na-2H"	20.974666
"94325"	605.107863	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M-H+Cl"	33.962126
"547935"	899.171263	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M-H+Cl"	33.962126
"938170"	311.044463	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-H+Cl"	33.962126
"277819"	1211.223002	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+Cl"	34.969402
"666958"	1799.349802	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+Cl"	34.969402
"1280459"	623.096202	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Cl"	34.969402
"24108"	1213.202206	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M-2H+K"	36.948606
"460388"	1801.329006	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M-2H+K"	36.948606
"842566"	625.075406	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-2H+K"	36.948606
"1569943"	625.075406	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+K-2H"	36.948606
"953940"	633.124994	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-H+HCOOH"	44.998194
"367781"	1221.251801	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+HCOOH-H"	44.998201
"350572"	1235.267451	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+Hac-H"	59.013851
"1493208"	647.140651	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Hac-H"	59.013851
"958612"	655.106951	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-H+NaCOOH"	66.980151
"110185"	623.096202	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+2Cl"	69.938804
"550111"	917.159602	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+2Cl"	69.938804
"1022018"	329.032802	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2Cl"	69.938804
"1241874"	667.045685	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Br"	78.918885
"1305135"	669.101672	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Cl+HCOOH"	80.974872
"1324826"	691.083629	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Cl+NaCOOH"	102.956829
"915518"	701.112386	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M-H+CF3COOH"	112.985586
"1290767"	737.089064	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Cl+CF3COOH"	148.962264
"1369291"	553.114124	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H-2H2O"	-35.012676
"1387159"	571.1241	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H-H2O"	-17.0027
"284295"	1177.260876	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+H"	1.007276
"684738"	1765.387676	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+H"	1.007276
"1355623"	589.134076	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H"	1.007276
"133980"	589.134076	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+2H"	2.014552
"577916"	883.197476	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+2H"	2.014552
"1042339"	295.070676	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2H"	2.014552
"212431"	393.091809333333	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+3H"	3.021828
"655275"	589.134076	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+3H"	3.021828
"1171211"	197.049542666667	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+3H"	3.021828
"427923"	1194.287423	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+NH4"	18.033823
"795481"	1782.414223	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+NH4"	18.033823
"1690720"	606.160623	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+NH4"	18.033823
"340092"	597.6473495	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+H+NH4"	19.041099
"731419"	891.7107495	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+H+NH4"	19.041099
"1484148"	303.5839495	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H+NH4"	19.041099
"393352"	1199.242818	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+Na"	22.989218
"755074"	1787.369618	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+Na"	22.989218
"1608641"	611.116018	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Na"	22.989218
"319771"	600.125047	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+H+Na"	23.996494
"715472"	894.188447	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+H+Na"	23.996494
"1469291"	306.061647	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H+Na"	23.996494
"1062534"	204.376856666667	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2H+Na"	25.00377
"1262026"	621.160286	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+CH3OH+H"	33.033486
"384975"	1215.216758	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+K"	38.963158
"742687"	1803.343558	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+K"	38.963158
"1540612"	627.089958	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+K"	38.963158
"299971"	608.112017	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+H+K"	39.970434
"691782"	902.175417	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+H+K"	39.970434
"1445925"	314.048617	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H+K"	39.970434
"236764"	1218.287426	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+ACN+H"	42.033826
"1210031"	630.160626	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+ACN+H"	42.033826
"1203208"	315.583951	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+ACN+2H"	43.041102
"193892"	1221.22476	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+2Na-H"	44.97116
"637828"	1809.35156	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+2Na-H"	44.97116
"1139150"	633.09796	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2Na-H"	44.97116
"182441"	611.116018	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+2Na"	45.978436
"620906"	905.179418	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+2Na"	45.978436
"1126599"	317.052618	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2Na"	45.978436
"1401737"	211.704170666667	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H+2Na"	46.985712
"1440048"	635.139546	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H+HCOOH"	47.012746
"226462"	616.14904	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+3H2O+2H"	56.04448
"1518538"	649.19159	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+IsoProp+H"	61.06479
"416398"	619.102988	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+Na+K"	61.952376
"779583"	913.166388	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+Na+K"	61.952376
"1671539"	325.039588	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Na+K"	61.952376
"256968"	1240.269368	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+ACN+Na"	64.015768
"1234051"	652.142568	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+ACN+Na"	64.015768
"1725125"	652.166093	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+NH4+HCOOH"	64.039293
"1189386"	219.031484666667	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+3Na"	68.967654
"1658185"	657.121488	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Na+HCOOH"	68.994688
"160672"	1253.17264	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+2K-H"	76.91904
"603519"	1841.29944	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+2K-H"	76.91904
"1089126"	665.04584	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2K-H"	76.91904
"143756"	627.089958	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"2M+2K"	77.926316
"584410"	921.153358	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"3M+2K"	77.926316
"1077676"	333.026558	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2K"	77.926316
"1108697"	667.060392	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2K+H"	78.933592
"1339613"	667.148007	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+DMSO+H"	79.021207
"1020950"	671.187176	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2ACN+H"	83.060376
"1539154"	672.180808	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+IsoProp+Na+H"	84.054008
"999280"	336.097226	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+2ACN+2H"	84.067652
"1600344"	673.095428	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+K+HCOOH"	84.968628
"1428189"	703.126938	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+H+CF3COOH"	115.000138
"1156291"	356.610501	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+3ACN+2H"	125.094202
"1699277"	720.153485	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+NH4+CF3COOH"	132.026685
"1648056"	725.10888	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+Na+CF3COOH"	136.98208
"1579333"	741.08282	"C09761"	"Kolaflavanone"	"C31H24O12"	"588.1268"	"M+K+CF3COOH"	152.95602
"804232"	256.0736	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M"	0
"975085"	237.05521	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"64545"	169.708457333333	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"505931"	255.066324	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"880575"	84.3505906666667	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"2310"	255.066324	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"442598"	383.103124	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"817968"	127.029524	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"78802"	511.139924	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"519942"	767.213524	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"896650"	255.066324	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"48350"	528.166471	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"487910"	784.240071	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"864985"	272.092871	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"31682"	533.121866	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"471603"	789.195466	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"849659"	277.048266	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1619190"	277.048266	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"94651"	273.054663	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"546952"	401.091463	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"937186"	145.017863	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"277929"	547.116602	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"667432"	803.190202	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1276922"	291.043002	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"20938"	549.095806	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"459769"	805.169406	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"844863"	293.022206	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1566164"	293.022206	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"956236"	301.071794	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"375545"	557.145401	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"353963"	571.161051	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1496235"	315.087451	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"960494"	323.053751	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"112311"	291.043002	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"552238"	419.079802	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1023954"	163.006202	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1242799"	334.992485	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1304601"	337.048472	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1328216"	359.030429	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"917451"	369.059186	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1289538"	405.035864	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1372683"	221.060924	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1386539"	239.0709	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"285134"	513.154476	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"684848"	769.228076	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1361199"	257.080876	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"130808"	257.080876	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"574745"	385.117676	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1040263"	129.044076	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"216914"	171.723009333333	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"657573"	257.080876	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1170230"	86.3651426666667	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"433503"	530.181023	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"794498"	786.254623	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1695204"	274.107423	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"341295"	265.5941495	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"734810"	393.6309495	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1485349"	137.5573495	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"398563"	535.136418	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"757371"	791.210018	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1612030"	279.062818	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"320975"	268.071847	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"717767"	396.108647	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1471587"	140.035047	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1063737"	93.6924566666667	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1268697"	289.107086	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"385085"	551.110358	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"743893"	807.183958	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1542667"	295.036758	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"300324"	276.058817	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"692260"	404.095617	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1446809"	148.022017	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"236996"	554.181026	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1209983"	298.107426	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1194924"	149.557351	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"194002"	557.11836	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"639031"	813.19196	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1141446"	301.04476	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"183644"	279.062818	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"623202"	407.099618	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1122700"	151.026018	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1401847"	101.019770666667	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1437971"	303.086346	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"224386"	284.09584	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1517916"	317.13839	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"416508"	287.049788	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"775315"	415.086588	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1673835"	159.012988	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"258169"	576.162968	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1235254"	320.089368	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1725236"	320.112893	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1188403"	108.347084666667	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1659388"	325.068288	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"164062"	589.06624	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"599984"	845.13984	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1086077"	332.99264	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"143865"	295.036758	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"584520"	423.073558	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1077786"	166.999958	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1107714"	335.007192	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1338994"	335.094807	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1019924"	339.133976	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1538899"	340.127608	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"998297"	170.070626	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1599360"	341.042228	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1425020"	371.073738	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1156401"	190.583901	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1697011"	388.100285	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1647073"	393.05568	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1579443"	409.02962	"C09762"	"Liquiritigenin;74-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"802639"	590.106	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M"	0
"977869"	571.08761	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-H2O-H"	-19.01839
"68300"	392.396724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M-3H"	-3.021828
"507863"	589.098724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M-3H"	-3.021828
"885664"	195.694724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-3H"	-3.021828
"5331"	589.098724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M-2H"	-2.014552
"443069"	884.151724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M-2H"	-2.014552
"819779"	294.045724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-2H"	-2.014552
"78955"	1179.204724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M-H"	-1.007276
"519084"	1769.310724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M-H"	-1.007276
"896032"	589.098724	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-H"	-1.007276
"47488"	1196.231271	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M-2H+NH4"	16.019271
"487420"	1786.337271	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M-2H+NH4"	16.019271
"864448"	606.125271	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-2H+NH4"	16.019271
"33005"	1201.186666	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M-2H+Na"	20.974666
"472567"	1791.292666	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M-2H+Na"	20.974666
"850862"	611.080666	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-2H+Na"	20.974666
"1619057"	611.080666	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Na-2H"	20.974666
"96554"	607.087063	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M-H+Cl"	33.962126
"544874"	902.140063	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M-H+Cl"	33.962126
"934016"	312.034063	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-H+Cl"	33.962126
"273665"	1215.181402	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+Cl"	34.969402
"665718"	1805.287402	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+Cl"	34.969402
"1279584"	625.075402	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Cl"	34.969402
"21048"	1217.160606	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M-2H+K"	36.948606
"459514"	1807.266606	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M-2H+K"	36.948606
"844973"	627.054606	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-2H+K"	36.948606
"1565181"	627.054606	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+K-2H"	36.948606
"953066"	635.104194	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-H+HCOOH"	44.998194
"375291"	1225.210201	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+HCOOH-H"	44.998201
"357353"	1239.225851	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+Hac-H"	59.013851
"1497437"	649.119851	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Hac-H"	59.013851
"960604"	657.086151	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-H+NaCOOH"	66.980151
"111693"	625.075402	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+2Cl"	69.938804
"557818"	920.128402	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+2Cl"	69.938804
"1023337"	330.022402	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2Cl"	69.938804
"1243278"	669.024885	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Br"	78.918885
"1308645"	671.080872	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Cl+HCOOH"	80.974872
"1328326"	693.062829	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Cl+NaCOOH"	102.956829
"917561"	703.091586	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M-H+CF3COOH"	112.985586
"1289161"	739.068264	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Cl+CF3COOH"	148.962264
"1368783"	555.093324	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H-2H2O"	-35.012676
"1391755"	573.1033	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H-H2O"	-17.0027
"289254"	1181.219276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+H"	1.007276
"688238"	1771.325276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+H"	1.007276
"1361310"	591.113276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H"	1.007276
"136386"	591.113276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+2H"	2.014552
"574856"	886.166276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+2H"	2.014552
"1044748"	296.060276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2H"	2.014552
"214837"	394.411276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+3H"	3.021828
"651122"	591.113276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+3H"	3.021828
"1174349"	197.709276	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+3H"	3.021828
"433611"	1198.245823	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+NH4"	18.033823
"794606"	1788.351823	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+NH4"	18.033823
"1694219"	608.139823	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+NH4"	18.033823
"339216"	599.6265495	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+H+NH4"	19.041099
"734920"	894.6795495	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+H+NH4"	19.041099
"1485459"	304.5735495	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H+NH4"	19.041099
"399767"	1203.201218	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+Na"	22.989218
"766228"	1793.307218	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+Na"	22.989218
"1613235"	613.095218	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Na"	22.989218
"325458"	602.104247	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+H+Na"	23.996494
"717878"	897.157247	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+H+Na"	23.996494
"1471697"	307.051247	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H+Na"	23.996494
"1063847"	205.03659	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2H+Na"	25.00377
"1267712"	623.139486	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+CH3OH+H"	33.033486
"387381"	1219.175158	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+K"	38.963158
"741086"	1809.281158	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+K"	38.963158
"1541683"	629.069158	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+K"	38.963158
"299344"	610.091217	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+H+K"	39.970434
"694562"	905.144217	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+H+K"	39.970434
"1447410"	315.038217	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H+K"	39.970434
"240265"	1222.245826	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+ACN+H"	42.033826
"1210420"	632.139826	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+ACN+H"	42.033826
"1195278"	316.573551	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+ACN+2H"	43.041102
"191919"	1225.18316	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+2Na-H"	44.97116
"631849"	1815.28916	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+2Na-H"	44.97116
"1141553"	635.07716	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2Na-H"	44.97116
"183755"	613.095218	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+2Na"	45.978436
"625499"	908.148218	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+2Na"	45.978436
"1123539"	318.042218	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2Na"	45.978436
"1405968"	212.363904	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H+2Na"	46.985712
"1438081"	637.118746	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H+HCOOH"	47.012746
"225589"	618.12824	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+3H2O+2H"	56.04448
"1519119"	651.17079	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+IsoProp+H"	61.06479
"416618"	621.082188	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+Na+K"	61.952376
"774332"	916.135188	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+Na+K"	61.952376
"1672852"	326.029188	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Na+K"	61.952376
"258277"	1244.227768	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+ACN+Na"	64.015768
"1235364"	654.121768	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+ACN+Na"	64.015768
"1722799"	654.145293	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+NH4+HCOOH"	64.039293
"1190702"	219.691218	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+3Na"	68.967654
"1661688"	659.100688	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Na+HCOOH"	68.994688
"164173"	1257.13104	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+2K-H"	76.91904
"599487"	1847.23704	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+2K-H"	76.91904
"1086187"	667.02504	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2K-H"	76.91904
"142147"	629.069158	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"2M+2K"	77.926316
"584630"	924.122158	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"3M+2K"	77.926316
"1077897"	334.016158	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2K"	77.926316
"1107825"	669.039592	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2K+H"	78.933592
"1340927"	669.127207	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+DMSO+H"	79.021207
"1019183"	673.166376	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2ACN+H"	83.060376
"1538158"	674.160008	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+IsoProp+Na+H"	84.054008
"1000594"	337.086826	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+2ACN+2H"	84.067652
"1597284"	675.074628	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+K+HCOOH"	84.968628
"1425859"	705.106138	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+H+CF3COOH"	115.000138
"1157605"	357.600101	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+3ACN+2H"	125.094202
"1698770"	722.132685	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+NH4+CF3COOH"	132.026685
"1638435"	727.08808	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+Na+CF3COOH"	136.98208
"1571775"	743.06202	"C09763"	"Manniflavanone"	"C30H22O13"	"590.106"	"M+K+CF3COOH"	152.95602
"802992"	360.0845	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M"	0
"975792"	341.06611	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"65131"	239.049057333333	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"506880"	359.077224	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"884681"	119.020890666667	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"4348"	359.077224	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"442815"	539.119474	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"819526"	179.034974	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"79149"	719.161724	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"518637"	1079.246224	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"896267"	359.077224	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"47971"	736.188271	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"487651"	1096.272771	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"864253"	376.103771	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"32511"	741.143666	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"473895"	1101.228166	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"852795"	381.059166	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1623422"	381.059166	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"95325"	377.065563	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"546077"	557.107813	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"934126"	197.023313	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"273775"	755.138402	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"664736"	1115.222902	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1277509"	395.053902	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"24438"	757.117606	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"459258"	1117.202106	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"843990"	397.033106	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1565291"	397.033106	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"953176"	405.082694	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"375765"	765.167201	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"359649"	779.182851	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1503014"	419.098351	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"963994"	427.064651	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"110956"	395.053902	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"551368"	575.096152	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1022474"	215.011652	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1243391"	439.003385	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1307662"	441.059372	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1327343"	463.041329	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"922410"	473.070086	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1288740"	509.046764	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1368163"	325.071824	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1385304"	343.0818	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"288271"	721.176276	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"689442"	1081.260776	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1364700"	361.091776	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"135403"	361.091776	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"577154"	541.134026	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1044858"	181.049526	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"216407"	241.063609333333	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"651232"	361.091776	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1168263"	121.035442666667	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"438826"	738.202823	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"795446"	1098.287323	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1695423"	378.118323	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"340420"	369.6050495	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"735758"	549.6472995	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1488485"	189.5627995	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"403158"	743.158218	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"765246"	1103.242718	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1617355"	383.073718	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"327755"	372.082747	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"721996"	552.124997	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1475087"	192.040497	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1066876"	128.362756666667	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1270009"	393.117986	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"386398"	759.132158	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"741196"	1119.216658	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1543248"	399.047658	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"299086"	380.069717	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"692484"	560.111967	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1446059"	200.027467	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"238188"	762.202826	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1210535"	402.118326	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1195513"	201.562801	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"190207"	765.14016	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"633415"	1125.22466	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1141663"	405.05566	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"186780"	383.073718	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"624515"	563.115968	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1128021"	203.031468	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1406077"	135.690070666667	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1437098"	407.097246	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"222050"	388.10674	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1510478"	421.14929	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"411260"	391.060688	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"772620"	571.102938	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1670775"	211.018438	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"257294"	784.184768	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1235474"	424.100268	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1724730"	424.123793	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1190810"	143.017384666667	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1660704"	429.079188	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"164283"	797.08804	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"599476"	1157.17254	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1086176"	437.00354	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"141814"	399.047658	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"584740"	579.089908	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1078004"	219.005408	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1110850"	439.018092	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1343223"	439.105707	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1019051"	443.144876	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1537903"	444.138508	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"999611"	222.076076	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1598487"	445.053128	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1427062"	475.084638	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1158808"	242.589351	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1699244"	492.111185	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1638545"	497.06658	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1571764"	513.04052	"C09764"	"6-Methoxyaromadendrin 3-O-acetate"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"801563"	466.1475	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M"	0
"974445"	447.12911	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-H2O-H"	-19.01839
"66334"	309.757724	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M-3H"	-3.021828
"510270"	465.140224	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M-3H"	-3.021828
"885885"	154.375224	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-3H"	-3.021828
"6645"	465.140224	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M-2H"	-2.014552
"441833"	698.213974	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M-2H"	-2.014552
"820728"	232.066474	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-2H"	-2.014552
"79989"	931.287724	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M-H"	-1.007276
"519061"	1397.435224	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M-H"	-1.007276
"897472"	465.140224	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-H"	-1.007276
"48324"	948.314271	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M-2H+NH4"	16.019271
"487271"	1414.461771	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M-2H+NH4"	16.019271
"864218"	482.166771	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-2H+NH4"	16.019271
"35537"	953.269666	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M-2H+Na"	20.974666
"472912"	1419.417166	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M-2H+Na"	20.974666
"852905"	487.122166	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-2H+Na"	20.974666
"1623167"	487.122166	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Na-2H"	20.974666
"94396"	483.128563	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M-H+Cl"	33.962126
"545094"	716.202313	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M-H+Cl"	33.962126
"932049"	250.054813	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-H+Cl"	33.962126
"270605"	967.264402	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+Cl"	34.969402
"664482"	1433.411902	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+Cl"	34.969402
"1279806"	501.116902	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Cl"	34.969402
"23455"	969.243606	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M-2H+K"	36.948606
"460829"	1435.391106	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M-2H+K"	36.948606
"844100"	503.096106	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-2H+K"	36.948606
"1569775"	503.096106	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+K-2H"	36.948606
"957539"	511.145694	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-H+HCOOH"	44.998194
"375511"	977.293201	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+HCOOH-H"	44.998201
"359763"	991.308851	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+Hac-H"	59.013851
"1503125"	525.161351	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Hac-H"	59.013851
"966292"	533.127651	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-H+NaCOOH"	66.980151
"112282"	501.116902	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+2Cl"	69.938804
"558039"	734.190652	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+2Cl"	69.938804
"1025746"	268.043152	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2Cl"	69.938804
"1246417"	545.066385	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Br"	78.918885
"1311052"	547.122372	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Cl+HCOOH"	80.974872
"1328547"	569.104329	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Cl+NaCOOH"	102.956829
"917419"	579.133086	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M-H+CF3COOH"	112.985586
"1289062"	615.109764	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Cl+CF3COOH"	148.962264
"1368275"	431.134824	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H-2H2O"	-35.012676
"1384685"	449.1448	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H-H2O"	-17.0027
"288381"	933.302276	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+H"	1.007276
"687365"	1399.449776	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+H"	1.007276
"1361530"	467.154776	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H"	1.007276
"134420"	467.154776	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+2H"	2.014552
"577264"	700.228526	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+2H"	2.014552
"1046062"	234.081026	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2H"	2.014552
"217248"	311.772276	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+3H"	3.021828
"655717"	467.154776	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+3H"	3.021828
"1173838"	156.389776	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+3H"	3.021828
"437478"	950.328823	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+NH4"	18.033823
"800542"	1416.476323	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+NH4"	18.033823
"1694807"	484.181323	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+NH4"	18.033823
"340529"	475.6680495	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+H+NH4"	19.041099
"736232"	708.7417995	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+H+NH4"	19.041099
"1491512"	242.5942995	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H+NH4"	19.041099
"406184"	955.284218	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+Na"	22.989218
"767179"	1421.431718	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+Na"	22.989218
"1615640"	489.136718	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Na"	22.989218
"326409"	478.145747	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+H+Na"	23.996494
"720285"	711.219497	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+H+Na"	23.996494
"1474108"	245.071997	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H+Na"	23.996494
"1066256"	163.71709	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2H+Na"	25.00377
"1267933"	499.180986	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+CH3OH+H"	33.033486
"387602"	971.258158	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+K"	38.963158
"742035"	1437.405658	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+K"	38.963158
"1541900"	505.110658	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+K"	38.963158
"298753"	486.132717	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+H+K"	39.970434
"691379"	719.206467	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+H+K"	39.970434
"1446130"	253.058967	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H+K"	39.970434
"236353"	974.328826	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+ACN+H"	42.033826
"1213561"	508.181326	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+ACN+H"	42.033826
"1197811"	254.594301	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+ACN+2H"	43.041102
"192141"	977.26616	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+2Na-H"	44.97116
"632433"	1443.41366	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+2Na-H"	44.97116
"1141773"	511.11866	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2Na-H"	44.97116
"187621"	489.136718	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+2Na"	45.978436
"627301"	722.210468	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+2Na"	45.978436
"1129224"	256.062968	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2Na"	45.978436
"1409468"	171.044404	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H+2Na"	46.985712
"1438301"	513.160246	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H+HCOOH"	47.012746
"223255"	494.16974	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+3H2O+2H"	56.04448
"1511683"	527.21229	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+IsoProp+H"	61.06479
"413556"	497.123688	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+Na+K"	61.952376
"774552"	730.197438	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+Na+K"	61.952376
"1667602"	264.049938	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Na+K"	61.952376
"257404"	996.310768	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+ACN+Na"	64.015768
"1235584"	530.163268	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+ACN+Na"	64.015768
"1724475"	530.186793	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+NH4+HCOOH"	64.039293
"1190920"	178.371718	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+3Na"	68.967654
"1661907"	535.142188	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Na+HCOOH"	68.994688
"164393"	1009.21404	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+2K-H"	76.91904
"597763"	1475.36154	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+2K-H"	76.91904
"1086286"	543.06654	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2K-H"	76.91904
"141883"	505.110658	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"2M+2K"	77.926316
"582905"	738.184408	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"3M+2K"	77.926316
"1069477"	272.036908	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2K"	77.926316
"1100381"	545.081092	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2K+H"	78.933592
"1336399"	545.168707	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+DMSO+H"	79.021207
"1019158"	549.207876	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2ACN+H"	83.060376
"1538013"	550.201508	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+IsoProp+Na+H"	84.054008
"1002999"	275.107576	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+2ACN+2H"	84.067652
"1594221"	551.116128	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+K+HCOOH"	84.968628
"1426442"	581.147638	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+H+CF3COOH"	115.000138
"1157824"	295.620851	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+3ACN+2H"	125.094202
"1697287"	598.174185	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+NH4+CF3COOH"	132.026685
"1638655"	603.12958	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+Na+CF3COOH"	136.98208
"1571753"	619.10352	"C09765"	"Agnuside"	"C22H26O11"	"466.1475"	"M+K+CF3COOH"	152.95602
"801787"	308.0896	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M"	0
"974677"	289.07121	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-H2O-H"	-19.01839
"69725"	204.385790666667	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M-3H"	-3.021828
"512567"	307.082324	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M-3H"	-3.021828
"884902"	101.689257333333	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-3H"	-3.021828
"3476"	307.082324	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M-2H"	-2.014552
"441092"	461.127124	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M-2H"	-2.014552
"820838"	153.037524	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-2H"	-2.014552
"79492"	615.171924	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M-H"	-1.007276
"520025"	923.261524	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M-H"	-1.007276
"898921"	307.082324	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-H"	-1.007276
"47825"	632.198471	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M-2H+NH4"	16.019271
"487631"	940.288071	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M-2H+NH4"	16.019271
"864701"	324.108871	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-2H+NH4"	16.019271
"32852"	637.153866	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M-2H+Na"	20.974666
"473022"	945.243466	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M-2H+Na"	20.974666
"852651"	329.064266	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-2H+Na"	20.974666
"1620725"	329.064266	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Na-2H"	20.974666
"94577"	325.070663	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M-H+Cl"	33.962126
"545204"	479.115463	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M-H+Cl"	33.962126
"932159"	171.025863	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-H+Cl"	33.962126
"271079"	651.148602	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+Cl"	34.969402
"664228"	959.238202	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+Cl"	34.969402
"1279916"	343.059002	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Cl"	34.969402
"22472"	653.127806	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M-2H+K"	36.948606
"459115"	961.217406	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M-2H+K"	36.948606
"843116"	345.038206	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-2H+K"	36.948606
"1562230"	345.038206	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+K-2H"	36.948606
"956677"	353.087794	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-H+HCOOH"	44.998194
"374528"	661.177401	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+HCOOH-H"	44.998201
"358775"	675.193051	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+Hac-H"	59.013851
"1501048"	367.103451	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Hac-H"	59.013851
"959841"	375.069751	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-H+NaCOOH"	66.980151
"112027"	343.059002	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+2Cl"	69.938804
"552682"	497.103802	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+2Cl"	69.938804
"1026949"	189.014202	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2Cl"	69.938804
"1245434"	387.008485	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Br"	78.918885
"1311162"	389.064472	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Cl+HCOOH"	80.974872
"1325377"	411.046429	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Cl+NaCOOH"	102.956829
"914249"	421.075186	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M-H+CF3COOH"	112.985586
"1289132"	457.051864	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Cl+CF3COOH"	148.962264
"1367655"	273.076924	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H-2H2O"	-35.012676
"1384431"	291.0869	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H-H2O"	-17.0027
"288491"	617.186476	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+H"	1.007276
"682008"	925.276076	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+H"	1.007276
"1361640"	309.096876	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H"	1.007276
"134530"	309.096876	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+2H"	2.014552
"577374"	463.141676	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+2H"	2.014552
"1046172"	155.052076	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2H"	2.014552
"217358"	206.400342666667	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+3H"	3.021828
"656921"	309.096876	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+3H"	3.021828
"1173948"	103.703809333333	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+3H"	3.021828
"437953"	634.213023	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+NH4"	18.033823
"799313"	942.302623	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+NH4"	18.033823
"1694914"	326.123423	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+NH4"	18.033823
"340639"	317.6101495	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+H+NH4"	19.041099
"736344"	471.6549495	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+H+NH4"	19.041099
"1489071"	163.5653495	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H+NH4"	19.041099
"405201"	639.168418	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+Na"	22.989218
"766929"	947.258018	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+Na"	22.989218
"1614294"	331.078818	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Na"	22.989218
"327250"	320.087847	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+H+Na"	23.996494
"717118"	474.132647	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+H+Na"	23.996494
"1472030"	166.043047	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H+Na"	23.996494
"1066731"	111.031123333333	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2H+Na"	25.00377
"1271326"	341.123086	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+CH3OH+H"	33.033486
"384432"	655.142358	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+K"	38.963158
"739957"	963.231958	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+K"	38.963158
"1544196"	347.052758	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+K"	38.963158
"299551"	328.074817	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+H+K"	39.970434
"691973"	482.119617	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+H+K"	39.970434
"1445871"	174.030017	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H+K"	39.970434
"236058"	658.213026	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+ACN+H"	42.033826
"1215495"	350.123426	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+ACN+H"	42.033826
"1197189"	175.565351	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+ACN+2H"	43.041102
"191519"	661.15036	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+2Na-H"	44.97116
"631814"	969.23996	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+2Na-H"	44.97116
"1140790"	353.06076	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2Na-H"	44.97116
"186269"	331.078818	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+2Na"	45.978436
"625828"	485.123618	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+2Na"	45.978436
"1129334"	177.034018	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2Na"	45.978436
"1409578"	118.358437333333	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H+2Na"	46.985712
"1440598"	355.102346	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H+HCOOH"	47.012746
"223002"	336.11184	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+3H2O+2H"	56.04448
"1511063"	369.15439	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+IsoProp+H"	61.06479
"410386"	339.065788	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+Na+K"	61.952376
"775755"	493.110588	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+Na+K"	61.952376
"1670265"	185.020988	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Na+K"	61.952376
"256420"	680.194968	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+ACN+Na"	64.015768
"1230223"	372.105368	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+ACN+Na"	64.015768
"1714735"	372.128893	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+NH4+HCOOH"	64.039293
"1183367"	125.685751333333	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+3Na"	68.967654
"1653994"	377.084288	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Na+HCOOH"	68.994688
"159762"	693.09824	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+2K-H"	76.91904
"598965"	1001.18784	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+2K-H"	76.91904
"1084570"	385.00864	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2K-H"	76.91904
"141993"	347.052758	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"2M+2K"	77.926316
"582772"	501.097558	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"3M+2K"	77.926316
"1068859"	193.007958	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2K"	77.926316
"1100248"	387.023192	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2K+H"	78.933592
"1335615"	387.110807	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+DMSO+H"	79.021207
"1019632"	391.149976	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2ACN+H"	83.060376
"1538730"	392.143608	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+IsoProp+Na+H"	84.054008
"1003109"	196.078626	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+2ACN+2H"	84.067652
"1594331"	393.058228	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+K+HCOOH"	84.968628
"1425457"	423.089738	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+H+CF3COOH"	115.000138
"1157934"	216.591901	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+3ACN+2H"	125.094202
"1699100"	440.116285	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+NH4+CF3COOH"	132.026685
"1638765"	445.07168	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+Na+CF3COOH"	136.98208
"1572228"	461.04562	"C09766"	"Allamandin"	"C15H16O7"	"308.0896"	"M+K+CF3COOH"	152.95602
"810250"	586.1686	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M"	0
"978313"	567.15021	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-H2O-H"	-19.01839
"69835"	389.771790666667	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M-3H"	-3.021828
"514864"	585.161324	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M-3H"	-3.021828
"890479"	194.382257333333	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-3H"	-3.021828
"5773"	585.161324	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M-2H"	-2.014552
"443147"	878.245624	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M-2H"	-2.014552
"820949"	292.077024	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-2H"	-2.014552
"79109"	1171.329924	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M-H"	-1.007276
"521230"	1757.498524	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M-H"	-1.007276
"899395"	585.161324	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-H"	-1.007276
"48301"	1188.356471	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M-2H+NH4"	16.019271
"488225"	1774.525071	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M-2H+NH4"	16.019271
"866764"	602.187871	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-2H+NH4"	16.019271
"35759"	1193.311866	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M-2H+Na"	20.974666
"471990"	1779.480466	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M-2H+Na"	20.974666
"858596"	607.143266	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-2H+Na"	20.974666
"1624118"	607.143266	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Na-2H"	20.974666
"99552"	603.149663	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M-H+Cl"	33.962126
"544221"	896.233963	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M-H+Cl"	33.962126
"935550"	310.065363	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-H+Cl"	33.962126
"277387"	1207.306602	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+Cl"	34.969402
"665432"	1793.475202	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+Cl"	34.969402
"1286586"	621.138002	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Cl"	34.969402
"26957"	1209.285806	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M-2H+K"	36.948606
"465423"	1795.454406	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M-2H+K"	36.948606
"842135"	623.117206	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-2H+K"	36.948606
"1565623"	623.117206	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+K-2H"	36.948606
"957156"	631.166794	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-H+HCOOH"	44.998194
"375857"	1217.335401	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+HCOOH-H"	44.998201
"361124"	1231.351051	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+Hac-H"	59.013851
"1506992"	645.182451	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Hac-H"	59.013851
"969793"	653.148751	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-H+NaCOOH"	66.980151
"117606"	621.138002	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+2Cl"	69.938804
"561540"	914.222302	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+2Cl"	69.938804
"1035807"	328.053702	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2Cl"	69.938804
"1252105"	665.087485	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Br"	78.918885
"1317833"	667.143472	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Cl+HCOOH"	80.974872
"1332049"	689.125429	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Cl+NaCOOH"	102.956829
"923106"	699.154186	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M-H+CF3COOH"	112.985586
"1297626"	735.130864	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Cl+CF3COOH"	148.962264
"1371412"	551.155924	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H-2H2O"	-35.012676
"1391102"	569.1659	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H-H2O"	-17.0027
"288601"	1173.344476	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+H"	1.007276
"688678"	1759.513076	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+H"	1.007276
"1366124"	587.175876	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H"	1.007276
"137918"	587.175876	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+2H"	2.014552
"579673"	880.260176	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+2H"	2.014552
"1051995"	294.091576	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2H"	2.014552
"217101"	391.786342666667	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+3H"	3.021828
"658735"	587.175876	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+3H"	3.021828
"1170781"	196.396809333333	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+3H"	3.021828
"438067"	1190.371023	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+NH4"	18.033823
"798329"	1776.539623	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+NH4"	18.033823
"1695755"	604.202423	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+NH4"	18.033823
"344882"	595.6891495	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+H+NH4"	19.041099
"736455"	888.7734495	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+H+NH4"	19.041099
"1491005"	302.6048495	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H+NH4"	19.041099
"406651"	1195.326418	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+Na"	22.989218
"767040"	1781.495018	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+Na"	22.989218
"1615500"	609.157818	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Na"	22.989218
"327361"	598.166847	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+H+Na"	23.996494
"720147"	891.251147	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+H+Na"	23.996494
"1473238"	305.082547	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H+Na"	23.996494
"1067572"	203.724123333333	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2H+Na"	25.00377
"1270833"	619.202086	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+CH3OH+H"	33.033486
"388917"	1211.300358	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+K"	38.963158
"743351"	1797.468958	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+K"	38.963158
"1544310"	625.131758	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+K"	38.963158
"300394"	606.153817	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+H+K"	39.970434
"692812"	899.238117	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+H+K"	39.970434
"1445907"	313.069517	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H+K"	39.970434
"237063"	1214.371026	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+ACN+H"	42.033826
"1212690"	628.202426	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+ACN+H"	42.033826
"1198758"	314.604851	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+ACN+2H"	43.041102
"193452"	1217.30836	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+2Na-H"	44.97116
"632648"	1803.47696	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+2Na-H"	44.97116
"1139807"	631.13976	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2Na-H"	44.97116
"184192"	609.157818	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+2Na"	45.978436
"622658"	902.242118	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+2Na"	45.978436
"1119967"	316.073518	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2Na"	45.978436
"1402761"	211.051437333333	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H+2Na"	46.985712
"1434512"	633.181346	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H+HCOOH"	47.012746
"223844"	614.19084	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+3H2O+2H"	56.04448
"1510811"	647.23339	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+IsoProp+H"	61.06479
"411227"	617.144788	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+Na+K"	61.952376
"772950"	910.229088	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+Na+K"	61.952376
"1671105"	324.060488	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Na+K"	61.952376
"259813"	1236.352968	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+ACN+Na"	64.015768
"1233981"	650.184368	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+ACN+Na"	64.015768
"1718492"	650.207893	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+NH4+HCOOH"	64.039293
"1182752"	218.378751333333	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+3Na"	68.967654
"1654104"	655.163288	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Na+HCOOH"	68.994688
"157685"	1249.25624	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+2K-H"	76.91904
"605274"	1835.42484	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+2K-H"	76.91904
"1086506"	663.08764	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2K-H"	76.91904
"143321"	625.131758	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"2M+2K"	77.926316
"593820"	918.216058	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"3M+2K"	77.926316
"1077237"	332.047458	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2K"	77.926316
"1102792"	665.102192	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2K+H"	78.933592
"1338082"	665.189807	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+DMSO+H"	79.021207
"1021163"	669.228976	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2ACN+H"	83.060376
"1539813"	670.222608	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+IsoProp+Na+H"	84.054008
"1003219"	335.118126	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+2ACN+2H"	84.067652
"1601001"	671.137228	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+K+HCOOH"	84.968628
"1425567"	701.168738	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+H+CF3COOH"	115.000138
"1161324"	355.631401	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+3ACN+2H"	125.094202
"1702126"	718.195285	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+NH4+CF3COOH"	132.026685
"1638875"	723.15068	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+Na+CF3COOH"	136.98208
"1572338"	739.12462	"C09767"	"Amarogentin"	"C29H30O13"	"586.1686"	"M+K+CF3COOH"	152.95602
"801850"	362.1213	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M"	0
"974895"	343.10291	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-H2O-H"	-19.01839
"66665"	240.406924	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M-3H"	-3.021828
"511694"	361.114024	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M-3H"	-3.021828
"883299"	119.699824	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-3H"	-3.021828
"4790"	361.114024	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M-2H"	-2.014552
"445445"	542.174674	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M-2H"	-2.014552
"822153"	180.053374	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-2H"	-2.014552
"86518"	723.235324	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M-H"	-1.007276
"522067"	1085.356624	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M-H"	-1.007276
"896830"	361.114024	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-H"	-1.007276
"47554"	740.261871	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M-2H+NH4"	16.019271
"487515"	1102.383171	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M-2H+NH4"	16.019271
"864677"	378.140571	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-2H+NH4"	16.019271
"32585"	745.217266	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M-2H+Na"	20.974666
"472019"	1107.338566	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M-2H+Na"	20.974666
"858706"	383.095966	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-2H+Na"	20.974666
"1623499"	383.095966	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Na-2H"	20.974666
"99662"	379.102363	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M-H+Cl"	33.962126
"544331"	560.163013	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M-H+Cl"	33.962126
"936753"	198.041713	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-H+Cl"	33.962126
"278590"	759.212002	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+Cl"	34.969402
"667729"	1121.333302	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+Cl"	34.969402
"1283416"	397.090702	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Cl"	34.969402
"22692"	761.191206	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M-2H+K"	36.948606
"465535"	1123.312506	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M-2H+K"	36.948606
"843338"	399.069906	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-2H+K"	36.948606
"1566826"	399.069906	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+K-2H"	36.948606
"956904"	407.119494	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-H+HCOOH"	44.998194
"375117"	769.240801	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+HCOOH-H"	44.998201
"360703"	783.256451	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+Hac-H"	59.013851
"1506372"	421.135151	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Hac-H"	59.013851
"972819"	429.101451	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-H+NaCOOH"	66.980151
"118810"	397.090702	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+2Cl"	69.938804
"556184"	578.151352	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+2Cl"	69.938804
"1033730"	216.030052	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2Cl"	69.938804
"1248935"	441.040185	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Br"	78.918885
"1315756"	443.096172	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Cl+HCOOH"	80.974872
"1332157"	465.078129	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Cl+NaCOOH"	102.956829
"921029"	475.106886	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M-H+CF3COOH"	112.985586
"1292269"	511.083564	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Cl+CF3COOH"	148.962264
"1369334"	327.108624	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H-2H2O"	-35.012676
"1391212"	345.1186	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H-H2O"	-17.0027
"288711"	725.249876	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+H"	1.007276
"678946"	1087.371176	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+H"	1.007276
"1361857"	363.128576	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H"	1.007276
"140579"	363.128576	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+2H"	2.014552
"573218"	544.189226	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+2H"	2.014552
"1042015"	182.067926	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2H"	2.014552
"214293"	242.421476	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+3H"	3.021828
"659088"	363.128576	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+3H"	3.021828
"1176358"	121.714376	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+3H"	3.021828
"439394"	742.276423	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+NH4"	18.033823
"800024"	1104.397723	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+NH4"	18.033823
"1695866"	380.155123	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+NH4"	18.033823
"345236"	371.6418495	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+H+NH4"	19.041099
"737655"	552.7024995	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+H+NH4"	19.041099
"1492168"	190.5811995	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H+NH4"	19.041099
"405062"	747.231818	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+Na"	22.989218
"765693"	1109.353118	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+Na"	22.989218
"1615856"	385.110518	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Na"	22.989218
"327957"	374.119547	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+H+Na"	23.996494
"719892"	555.180197	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+H+Na"	23.996494
"1472984"	193.058897	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H+Na"	23.996494
"1068132"	129.04169	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2H+Na"	25.00377
"1271673"	395.154786	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+CH3OH+H"	33.033486
"385747"	763.205758	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+K"	38.963158
"745649"	1125.327058	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+K"	38.963158
"1545516"	401.084458	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+K"	38.963158
"299773"	382.106517	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+H+K"	39.970434
"694381"	563.167167	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+H+K"	39.970434
"1446015"	201.045867	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H+K"	39.970434
"239726"	766.276426	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+ACN+H"	42.033826
"1212436"	404.155126	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+ACN+H"	42.033826
"1198869"	202.581201	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+ACN+2H"	43.041102
"193198"	769.21376	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+2Na-H"	44.97116
"632030"	1131.33506	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+2Na-H"	44.97116
"1137730"	407.09246	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2Na-H"	44.97116
"184303"	385.110518	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+2Na"	45.978436
"624591"	566.171168	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+2Na"	45.978436
"1125180"	204.049868	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2Na"	45.978436
"1407611"	136.369004	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H+2Na"	46.985712
"1442642"	409.134046	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H+HCOOH"	47.012746
"229422"	390.14354	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+3H2O+2H"	56.04448
"1518577"	423.18609	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+IsoProp+H"	61.06479
"420450"	393.097488	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+Na+K"	61.952376
"779258"	574.158138	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+Na+K"	61.952376
"1671215"	212.036838	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Na+K"	61.952376
"261018"	788.258368	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+ACN+Na"	64.015768
"1235915"	426.137068	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+ACN+Na"	64.015768
"1724799"	426.160593	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+NH4+HCOOH"	64.039293
"1186872"	143.696318	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+3Na"	68.967654
"1657130"	431.115988	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Na+HCOOH"	68.994688
"157308"	801.16164	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+2K-H"	76.91904
"605384"	1163.28294	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+2K-H"	76.91904
"1087709"	439.04034	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2K-H"	76.91904
"142458"	401.084458	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"2M+2K"	77.926316
"593930"	582.145108	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"3M+2K"	77.926316
"1077347"	220.023808	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2K"	77.926316
"1106183"	441.054892	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2K+H"	78.933592
"1342567"	441.142507	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+DMSO+H"	79.021207
"1016567"	445.181676	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2ACN+H"	83.060376
"1538583"	446.175308	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+IsoProp+Na+H"	84.054008
"1004911"	223.094476	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+2ACN+2H"	84.067652
"1601111"	447.089928	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+K+HCOOH"	84.968628
"1425677"	477.121438	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+H+CF3COOH"	115.000138
"1160339"	243.607751	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+3ACN+2H"	125.094202
"1702237"	494.147985	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+NH4+CF3COOH"	132.026685
"1638985"	499.10338	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+Na+CF3COOH"	136.98208
"1572448"	515.07732	"C09768"	"Antirrhinoside"	"C15H22O10"	"362.1213"	"M+K+CF3COOH"	152.95602
"807189"	414.1162	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M"	0
"975981"	395.09781	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-H2O-H"	-19.01839
"70055"	275.070190666667	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M-3H"	-3.021828
"512897"	413.108924	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M-3H"	-3.021828
"888512"	137.031457333333	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-3H"	-3.021828
"4900"	413.108924	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M-2H"	-2.014552
"447742"	620.167024	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M-2H"	-2.014552
"825544"	206.050824	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-2H"	-2.014552
"86628"	827.225124	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M-H"	-1.007276
"523270"	1241.341324	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M-H"	-1.007276
"896121"	413.108924	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-H"	-1.007276
"47258"	844.251671	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M-2H+NH4"	16.019271
"487588"	1258.367871	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M-2H+NH4"	16.019271
"865642"	430.135471	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-2H+NH4"	16.019271
"32692"	849.207066	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M-2H+Na"	20.974666
"471805"	1263.323266	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M-2H+Na"	20.974666
"857719"	435.090866	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-2H+Na"	20.974666
"1627253"	435.090866	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Na-2H"	20.974666
"96126"	431.097263	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M-H+Cl"	33.962126
"547720"	638.155363	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M-H+Cl"	33.962126
"933581"	224.039163	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-H+Cl"	33.962126
"275419"	863.201802	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+Cl"	34.969402
"667841"	1277.318002	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+Cl"	34.969402
"1284619"	449.085602	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Cl"	34.969402
"28269"	865.181006	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M-2H+K"	36.948606
"465643"	1279.297206	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M-2H+K"	36.948606
"847459"	451.064806	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-2H+K"	36.948606
"1569122"	451.064806	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+K-2H"	36.948606
"957500"	459.114394	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-H+HCOOH"	44.998194
"376689"	873.230601	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+HCOOH-H"	44.998201
"361058"	887.246251	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+Hac-H"	59.013851
"1508430"	473.130051	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Hac-H"	59.013851
"973541"	481.096351	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-H+NaCOOH"	66.980151
"120013"	449.085602	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+2Cl"	69.938804
"559574"	656.143702	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+2Cl"	69.938804
"1036027"	242.027502	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2Cl"	69.938804
"1252325"	493.035085	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Br"	78.918885
"1318053"	495.091072	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Cl+HCOOH"	80.974872
"1332267"	517.073029	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Cl+NaCOOH"	102.956829
"924419"	527.101786	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M-H+CF3COOH"	112.985586
"1292379"	563.078464	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Cl+CF3COOH"	148.962264
"1368715"	379.103524	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H-2H2O"	-35.012676
"1391322"	397.1135	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H-H2O"	-17.0027
"288821"	829.239676	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+H"	1.007276
"679056"	1243.355876	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+H"	1.007276
"1361967"	415.123476	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H"	1.007276
"141136"	415.123476	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+2H"	2.014552
"577702"	622.181576	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+2H"	2.014552
"1047592"	208.065376	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2H"	2.014552
"217683"	277.084742666667	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+3H"	3.021828
"656890"	415.123476	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+3H"	3.021828
"1176715"	139.046009333333	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+3H"	3.021828
"439262"	846.266223	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+NH4"	18.033823
"800863"	1260.382423	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+NH4"	18.033823
"1696666"	432.150023	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+NH4"	18.033823
"344617"	423.6367495	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+H+NH4"	19.041099
"736675"	630.6948495	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+H+NH4"	19.041099
"1491225"	216.5786495	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H+NH4"	19.041099
"408414"	851.221618	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+Na"	22.989218
"769407"	1265.337818	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+Na"	22.989218
"1618152"	437.105418	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Na"	22.989218
"328673"	426.114447	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+H+Na"	23.996494
"720733"	633.172547	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+H+Na"	23.996494
"1475281"	219.056347	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H+Na"	23.996494
"1067674"	146.373323333333	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2H+Na"	25.00377
"1270935"	447.149686	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+CH3OH+H"	33.033486
"386950"	867.195558	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+K"	38.963158
"749038"	1281.311758	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+K"	38.963158
"1547813"	453.079358	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+K"	38.963158
"304988"	434.101417	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+H+K"	39.970434
"692307"	641.159517	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+H+K"	39.970434
"1446369"	227.043317	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H+K"	39.970434
"237404"	870.266226	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+ACN+H"	42.033826
"1214734"	456.150026	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+ACN+H"	42.033826
"1198615"	228.578651	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+ACN+2H"	43.041102
"191486"	873.20356	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+2Na-H"	44.97116
"632141"	1287.31976	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+2Na-H"	44.97116
"1137840"	459.08736	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2Na-H"	44.97116
"187449"	437.105418	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+2Na"	45.978436
"625065"	644.163518	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+2Na"	45.978436
"1130272"	230.047318	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2Na"	45.978436
"1408815"	153.700637333333	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H+2Na"	46.985712
"1439836"	461.128946	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H+HCOOH"	47.012746
"230625"	442.13844	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+3H2O+2H"	56.04448
"1519780"	475.18099	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+IsoProp+H"	61.06479
"420560"	445.092388	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+Na+K"	61.952376
"778275"	652.150488	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+Na+K"	61.952376
"1672418"	238.034288	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Na+K"	61.952376
"260035"	892.248168	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+ACN+Na"	64.015768
"1233838"	478.131968	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+ACN+Na"	64.015768
"1721630"	478.155493	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+NH4+HCOOH"	64.039293
"1184066"	161.027951333333	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+3Na"	68.967654
"1651164"	483.110888	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Na+HCOOH"	68.994688
"161914"	905.15144	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+2K-H"	76.91904
"603306"	1319.26764	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+2K-H"	76.91904
"1086724"	491.03524	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2K-H"	76.91904
"142569"	453.079358	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"2M+2K"	77.926316
"594405"	660.137458	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"3M+2K"	77.926316
"1078551"	246.021258	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2K"	77.926316
"1106292"	493.049792	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2K+H"	78.933592
"1341584"	493.137407	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+DMSO+H"	79.021207
"1016677"	497.176576	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2ACN+H"	83.060376
"1538328"	498.170208	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+IsoProp+Na+H"	84.054008
"1005429"	249.091926	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+2ACN+2H"	84.067652
"1602196"	499.084828	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+K+HCOOH"	84.968628
"1425787"	529.116338	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+H+CF3COOH"	115.000138
"1160449"	269.605201	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+3ACN+2H"	125.094202
"1702347"	546.142885	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+NH4+CF3COOH"	132.026685
"1639095"	551.09828	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+Na+CF3COOH"	136.98208
"1572558"	567.07222	"C09769"	"Asperuloside"	"C18H22O11"	"414.1162"	"M+K+CF3COOH"	152.95602
"802317"	334.0689	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M"	0
"975360"	315.05051	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-H2O-H"	-19.01839
"67980"	221.705324	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M-3H"	-3.021828
"513012"	333.061624	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M-3H"	-3.021828
"890812"	110.349024	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-3H"	-3.021828
"3554"	333.061624	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M-2H"	-2.014552
"443844"	500.096074	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M-2H"	-2.014552
"821644"	166.027174	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-2H"	-2.014552
"80541"	667.130524	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M-H"	-1.007276
"519371"	1001.199424	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M-H"	-1.007276
"895908"	333.061624	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-H"	-1.007276
"47198"	684.157071	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M-2H+NH4"	16.019271
"487181"	1018.225971	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M-2H+NH4"	16.019271
"866002"	350.088171	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-2H+NH4"	16.019271
"40467"	689.112466	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M-2H+Na"	20.974666
"481120"	1023.181366	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M-2H+Na"	20.974666
"858923"	355.043566	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-2H+Na"	20.974666
"1632467"	355.043566	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Na-2H"	20.974666
"99518"	351.049963	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M-H+Cl"	33.962126
"545644"	518.084413	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M-H+Cl"	33.962126
"935878"	184.015513	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-H+Cl"	33.962126
"281970"	703.107202	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+Cl"	34.969402
"673419"	1037.176102	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+Cl"	34.969402
"1287936"	369.038302	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Cl"	34.969402
"30209"	705.086406	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M-2H+K"	36.948606
"471329"	1039.155306	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M-2H+K"	36.948606
"848489"	371.017506	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-2H+K"	36.948606
"1571250"	371.017506	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+K-2H"	36.948606
"957121"	379.067094	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-H+HCOOH"	44.998194
"375703"	713.136001	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+HCOOH-H"	44.998201
"359828"	727.151651	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+Hac-H"	59.013851
"1501491"	393.082751	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Hac-H"	59.013851
"966841"	401.049051	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-H+NaCOOH"	66.980151
"119028"	369.038302	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+2Cl"	69.938804
"557494"	536.072752	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+2Cl"	69.938804
"1032856"	202.003852	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2Cl"	69.938804
"1254619"	412.987785	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Br"	78.918885
"1310508"	415.043772	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Cl+HCOOH"	80.974872
"1323631"	437.025729	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Cl+NaCOOH"	102.956829
"912498"	447.054486	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M-H+CF3COOH"	112.985586
"1292490"	483.031164	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Cl+CF3COOH"	148.962264
"1368462"	299.056224	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H-2H2O"	-35.012676
"1391435"	317.0662	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H-H2O"	-17.0027
"294404"	669.145076	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+H"	1.007276
"685730"	1003.213976	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+H"	1.007276
"1366464"	335.076176	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H"	1.007276
"140080"	335.076176	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+2H"	2.014552
"579636"	502.110626	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+2H"	2.014552
"1052327"	168.041726	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2H"	2.014552
"218897"	223.719876	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+3H"	3.021828
"659190"	335.076176	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+3H"	3.021828
"1178166"	112.363576	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+3H"	3.021828
"439129"	686.171623	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+NH4"	18.033823
"800124"	1020.240523	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+NH4"	18.033823
"1694626"	352.102723	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+NH4"	18.033823
"345417"	343.5894495	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+H+NH4"	19.041099
"738333"	510.6238995	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+H+NH4"	19.041099
"1490245"	176.5549995	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H+NH4"	19.041099
"405641"	691.127018	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+Na"	22.989218
"768460"	1025.195918	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+Na"	22.989218
"1616194"	357.058118	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Na"	22.989218
"326231"	346.067147	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+H+Na"	23.996494
"716464"	513.101597	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+H+Na"	23.996494
"1468098"	179.032697	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H+Na"	23.996494
"1064624"	119.69089	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2H+Na"	25.00377
"1265208"	367.102386	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+CH3OH+H"	33.033486
"378801"	707.100958	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+K"	38.963158
"741862"	1041.169858	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+K"	38.963158
"1544646"	373.032058	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+K"	38.963158
"301457"	354.054117	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+H+K"	39.970434
"695340"	521.088567	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+H+K"	39.970434
"1452442"	187.019667	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H+K"	39.970434
"244324"	710.171626	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+ACN+H"	42.033826
"1214480"	376.102726	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+ACN+H"	42.033826
"1197270"	188.555001	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+ACN+2H"	43.041102
"191963"	713.10896	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+2Na-H"	44.97116
"636629"	1047.17786	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+2Na-H"	44.97116
"1145607"	379.04006	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2Na-H"	44.97116
"185616"	357.058118	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+2Na"	45.978436
"625177"	524.092568	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+2Na"	45.978436
"1126495"	190.023668	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2Na"	45.978436
"1410019"	127.018204	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H+2Na"	46.985712
"1439947"	381.081646	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H+HCOOH"	47.012746
"234017"	362.09114	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+3H2O+2H"	56.04448
"1524120"	395.13369	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+IsoProp+H"	61.06479
"423958"	365.045088	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+Na+K"	61.952376
"780576"	532.079538	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+Na+K"	61.952376
"1676906"	198.010638	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Na+K"	61.952376
"259053"	732.153568	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+ACN+Na"	64.015768
"1231394"	398.084668	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+ACN+Na"	64.015768
"1721741"	398.108193	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+NH4+HCOOH"	64.039293
"1188188"	134.345518	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+3Na"	68.967654
"1656991"	403.063588	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Na+HCOOH"	68.994688
"166038"	745.05684	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+2K-H"	76.91904
"598553"	1079.12574	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+2K-H"	76.91904
"1085741"	410.98794	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2K-H"	76.91904
"145840"	373.032058	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"2M+2K"	77.926316
"595122"	540.066508	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"3M+2K"	77.926316
"1082674"	205.997608	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2K"	77.926316
"1114183"	413.002492	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2K+H"	78.933592
"1350892"	413.090107	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+DMSO+H"	79.021207
"1016787"	417.129276	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2ACN+H"	83.060376
"1533819"	418.122908	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+IsoProp+Na+H"	84.054008
"999172"	209.068276	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+2ACN+2H"	84.067652
"1595863"	419.037528	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+K+HCOOH"	84.968628
"1421523"	449.069038	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+H+CF3COOH"	115.000138
"1159466"	229.581551	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+3ACN+2H"	125.094202
"1702457"	466.095585	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+NH4+CF3COOH"	132.026685
"1639200"	471.05098	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+Na+CF3COOH"	136.98208
"1572060"	487.02492	"C09770"	"6-Methoxytaxifolin"	"C16H14O8"	"334.0689"	"M+K+CF3COOH"	152.95602
"801942"	346.1264	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M"	0
"975471"	327.10801	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-H2O-H"	-19.01839
"68090"	229.743657333333	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M-3H"	-3.021828
"508748"	345.119124	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M-3H"	-3.021828
"887641"	114.368190666667	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-3H"	-3.021828
"4028"	345.119124	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M-2H"	-2.014552
"445775"	518.182324	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M-2H"	-2.014552
"822483"	172.055924	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-2H"	-2.014552
"80287"	691.245524	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M-H"	-1.007276
"519117"	1037.371924	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M-H"	-1.007276
"895650"	345.119124	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-H"	-1.007276
"47176"	708.272071	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M-2H+NH4"	16.019271
"487111"	1054.398471	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M-2H+NH4"	16.019271
"864530"	362.145671	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-2H+NH4"	16.019271
"35109"	713.227466	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M-2H+Na"	20.974666
"475034"	1059.353866	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M-2H+Na"	20.974666
"855753"	367.101066	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-2H+Na"	20.974666
"1629662"	367.101066	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Na-2H"	20.974666
"99629"	363.107463	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M-H+Cl"	33.962126
"537366"	536.170663	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M-H+Cl"	33.962126
"937079"	190.044263	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-H+Cl"	33.962126
"274545"	727.222202	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+Cl"	34.969402
"666966"	1073.348602	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+Cl"	34.969402
"1283746"	381.095802	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Cl"	34.969402
"30438"	729.201406	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M-2H+K"	36.948606
"468785"	1075.327806	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M-2H+K"	36.948606
"848217"	383.075006	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-2H+K"	36.948606
"1571288"	383.075006	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+K-2H"	36.948606
"956140"	391.124594	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-H+HCOOH"	44.998194
"376177"	737.251001	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+HCOOH-H"	44.998201
"358601"	751.266651	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+Hac-H"	59.013851
"1498685"	405.140251	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Hac-H"	59.013851
"965858"	413.106551	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-H+NaCOOH"	66.980151
"121326"	381.095802	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+2Cl"	69.938804
"559791"	554.159002	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+2Cl"	69.938804
"1032967"	208.032602	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2Cl"	69.938804
"1254729"	425.045285	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Br"	78.918885
"1313898"	427.101272	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Cl+HCOOH"	80.974872
"1321189"	449.083229	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Cl+NaCOOH"	102.956829
"911759"	459.111986	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M-H+CF3COOH"	112.985586
"1292600"	495.088664	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Cl+CF3COOH"	148.962264
"1368570"	311.113724	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H-2H2O"	-35.012676
"1391545"	329.1237	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H-H2O"	-17.0027
"294514"	693.260076	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+H"	1.007276
"685840"	1039.386476	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+H"	1.007276
"1365108"	347.133676	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H"	1.007276
"140185"	347.133676	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+2H"	2.014552
"580110"	520.196876	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+2H"	2.014552
"1052194"	174.070476	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2H"	2.014552
"219370"	231.758209333333	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+3H"	3.021828
"659175"	347.133676	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+3H"	3.021828
"1177059"	116.382742666667	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+3H"	3.021828
"438630"	710.286623	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+NH4"	18.033823
"800229"	1056.413023	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+NH4"	18.033823
"1694008"	364.160223	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+NH4"	18.033823
"343381"	355.6469495	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+H+NH4"	19.041099
"737628"	528.7101495	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+H+NH4"	19.041099
"1489260"	182.5837495	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H+NH4"	19.041099
"399554"	715.242018	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+Na"	22.989218
"764560"	1061.368418	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+Na"	22.989218
"1614481"	369.115618	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Na"	22.989218
"326342"	358.124647	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+H+Na"	23.996494
"716577"	531.187847	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+H+Na"	23.996494
"1472581"	185.061447	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H+Na"	23.996494
"1064731"	123.710056666667	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2H+Na"	25.00377
"1263131"	379.159886	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+CH3OH+H"	33.033486
"377937"	731.215958	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+K"	38.963158
"741243"	1077.342358	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+K"	38.963158
"1542567"	385.089558	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+K"	38.963158
"301931"	366.111617	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+H+K"	39.970434
"697636"	539.174817	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+H+K"	39.970434
"1451458"	193.048417	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H+K"	39.970434
"241517"	734.286626	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+ACN+H"	42.033826
"1213131"	388.160226	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+ACN+H"	42.033826
"1197012"	194.583751	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+ACN+2H"	43.041102
"190981"	737.22396	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+2Na-H"	44.97116
"636738"	1083.35036	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+2Na-H"	44.97116
"1146367"	391.09756	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2Na-H"	44.97116
"185727"	369.115618	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+2Na"	45.978436
"620912"	542.178818	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+2Na"	45.978436
"1126605"	196.052418	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2Na"	45.978436
"1406847"	131.037370666667	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H+2Na"	46.985712
"1434589"	393.139146	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H+HCOOH"	47.012746
"227565"	374.14864	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+3H2O+2H"	56.04448
"1520001"	407.19119	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+IsoProp+H"	61.06479
"422971"	377.102588	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+Na+K"	61.952376
"781780"	550.165788	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+Na+K"	61.952376
"1674830"	204.039388	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Na+K"	61.952376
"258070"	756.268568	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+ACN+Na"	64.015768
"1230776"	410.142168	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+ACN+Na"	64.015768
"1720758"	410.165693	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+NH4+HCOOH"	64.039293
"1186112"	138.364684666667	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+3Na"	68.967654
"1656007"	415.121088	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Na+HCOOH"	68.994688
"163961"	769.17184	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+2K-H"	76.91904
"599272"	1115.29824	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+2K-H"	76.91904
"1086944"	423.04544	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2K-H"	76.91904
"148137"	385.089558	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"2M+2K"	77.926316
"595353"	558.152758	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"3M+2K"	77.926316
"1082905"	212.026358	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2K"	77.926316
"1114293"	425.059992	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2K+H"	78.933592
"1350556"	425.147607	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+DMSO+H"	79.021207
"1016897"	429.186776	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2ACN+H"	83.060376
"1536116"	430.180408	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+IsoProp+Na+H"	84.054008
"999282"	215.097026	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+2ACN+2H"	84.067652
"1595973"	431.095028	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+K+HCOOH"	84.968628
"1421633"	461.126538	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+H+CF3COOH"	115.000138
"1159576"	235.610301	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+3ACN+2H"	125.094202
"1701474"	478.153085	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+NH4+CF3COOH"	132.026685
"1640403"	483.10848	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+Na+CF3COOH"	136.98208
"1574965"	499.08242	"C09771"	"Aucubin"	"C15H22O9"	"346.1264"	"M+K+CF3COOH"	152.95602
"801452"	154.0994	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M"	0
"975217"	135.08101	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-H2O-H"	-19.01839
"68200"	101.725657333333	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M-3H"	-3.021828
"509950"	153.092124	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M-3H"	-3.021828
"887751"	50.3591906666667	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-3H"	-3.021828
"6324"	153.092124	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M-2H"	-2.014552
"446978"	230.141824	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M-2H"	-2.014552
"821499"	76.042424	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-2H"	-2.014552
"81124"	307.191524	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M-H"	-1.007276
"519102"	461.290924	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M-H"	-1.007276
"896166"	153.092124	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-H"	-1.007276
"47744"	324.218071	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M-2H+NH4"	16.019271
"487547"	478.317471	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M-2H+NH4"	16.019271
"864593"	170.118671	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-2H+NH4"	16.019271
"36312"	329.173466	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M-2H+Na"	20.974666
"474414"	483.272866	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M-2H+Na"	20.974666
"854770"	175.074066	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-2H+Na"	20.974666
"1626491"	175.074066	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Na-2H"	20.974666
"99739"	171.080463	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M-H+Cl"	33.962126
"537111"	248.130163	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M-H+Cl"	33.962126
"937189"	94.030763	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-H+Cl"	33.962126
"271374"	343.168202	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+Cl"	34.969402
"664889"	497.267602	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+Cl"	34.969402
"1279482"	189.068802	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Cl"	34.969402
"25320"	345.147406	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M-2H+K"	36.948606
"469624"	499.246806	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M-2H+K"	36.948606
"848159"	191.048006	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-2H+K"	36.948606
"1570799"	191.048006	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+K-2H"	36.948606
"957344"	199.097594	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-H+HCOOH"	44.998194
"373371"	353.197001	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+HCOOH-H"	44.998201
"356159"	367.212651	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+Hac-H"	59.013851
"1496244"	213.113251	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Hac-H"	59.013851
"964875"	221.079551	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-H+NaCOOH"	66.980151
"117062"	189.068802	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+2Cl"	69.938804
"556621"	266.118502	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+2Cl"	69.938804
"1029795"	112.019102	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2Cl"	69.938804
"1253746"	233.018285	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Br"	78.918885
"1309635"	235.074272	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Cl+HCOOH"	80.974872
"1321298"	257.056229	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Cl+NaCOOH"	102.956829
"912354"	267.084986	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M-H+CF3COOH"	112.985586
"1291980"	303.061664	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Cl+CF3COOH"	148.962264
"1369773"	119.086724	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H-2H2O"	-35.012676
"1390562"	137.0967	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H-H2O"	-17.0027
"295717"	309.206076	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+H"	1.007276
"685950"	463.305476	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+H"	1.007276
"1365218"	155.106676	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H"	1.007276
"140173"	155.106676	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+2H"	2.014552
"578033"	232.156376	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+2H"	2.014552
"1051936"	78.056976	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2H"	2.014552
"219480"	103.740209333333	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+3H"	3.021828
"659283"	155.106676	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+3H"	3.021828
"1176074"	52.3737426666667	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+3H"	3.021828
"438251"	326.232623	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+NH4"	18.033823
"792320"	480.332023	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+NH4"	18.033823
"1693023"	172.133223	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+NH4"	18.033823
"340209"	163.6199495	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+H+NH4"	19.041099
"737008"	240.6696495	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+H+NH4"	19.041099
"1488276"	86.5702495	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H+NH4"	19.041099
"396385"	331.188018	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+Na"	22.989218
"755315"	485.287418	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+Na"	22.989218
"1607665"	177.088618	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Na"	22.989218
"319888"	166.097647	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+H+Na"	23.996494
"712310"	243.147347	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+H+Na"	23.996494
"1467223"	89.047947	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H+Na"	23.996494
"1059373"	59.7010566666667	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2H+Na"	25.00377
"1261052"	187.132886	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+CH3OH+H"	33.033486
"378535"	347.161958	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+K"	38.963158
"740258"	501.261358	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+K"	38.963158
"1541096"	193.062558	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+K"	38.963158
"299246"	174.084617	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+H+K"	39.970434
"696286"	251.134317	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+H+K"	39.970434
"1448284"	97.034917	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H+K"	39.970434
"236071"	350.232626	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+ACN+H"	42.033826
"1210442"	196.133226	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+ACN+H"	42.033826
"1195663"	98.570251	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+ACN+2H"	43.041102
"189749"	353.16996	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+2Na-H"	44.97116
"632473"	507.26936	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+2Na-H"	44.97116
"1142547"	199.07056	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2Na-H"	44.97116
"182557"	177.088618	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+2Na"	45.978436
"618106"	254.138318	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+2Na"	45.978436
"1119423"	100.038918	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2Na"	45.978436
"1400757"	67.0283706666667	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H+2Na"	46.985712
"1433602"	201.112146	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H+HCOOH"	47.012746
"225488"	182.12164	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+3H2O+2H"	56.04448
"1511728"	215.16419	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+IsoProp+H"	61.06479
"417612"	185.075588	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+Na+K"	61.952376
"773140"	262.125288	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+Na+K"	61.952376
"1669107"	108.025888	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Na+K"	61.952376
"255262"	372.214568	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+ACN+Na"	64.015768
"1229428"	218.115168	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+ACN+Na"	64.015768
"1716858"	218.138693	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+NH4+HCOOH"	64.039293
"1182576"	74.3556846666667	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+3Na"	68.967654
"1654295"	223.094088	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Na+HCOOH"	68.994688
"157629"	385.11784	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+2K-H"	76.91904
"597468"	539.21724	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+2K-H"	76.91904
"1085961"	231.01844	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2K-H"	76.91904
"144966"	193.062558	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"2M+2K"	77.926316
"592183"	270.112258	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"3M+2K"	77.926316
"1076696"	116.012858	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2K"	77.926316
"1112092"	233.032992	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2K+H"	78.933592
"1346290"	233.120607	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+DMSO+H"	79.021207
"1017007"	237.159776	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2ACN+H"	83.060376
"1534039"	238.153408	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+IsoProp+Na+H"	84.054008
"993925"	119.083526	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+2ACN+2H"	84.067652
"1591709"	239.068028	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+K+HCOOH"	84.968628
"1419556"	269.099538	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+H+CF3COOH"	115.000138
"1159686"	139.596801	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+3ACN+2H"	125.094202
"1702677"	286.126085	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+NH4+CF3COOH"	132.026685
"1637233"	291.08148	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+Na+CF3COOH"	136.98208
"1571916"	307.05542	"C09772"	"Boschnialactone"	"C9H14O2"	"154.0994"	"M+K+CF3COOH"	152.95602
"804349"	362.1213	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M"	0
"975450"	343.10291	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-H2O-H"	-19.01839
"67219"	240.406924	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M-3H"	-3.021828
"505686"	361.114024	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M-3H"	-3.021828
"885673"	119.699824	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-3H"	-3.021828
"2060"	361.114024	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M-2H"	-2.014552
"444902"	542.174674	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M-2H"	-2.014552
"817718"	180.053374	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-2H"	-2.014552
"80505"	723.235324	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M-H"	-1.007276
"523345"	1085.356624	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M-H"	-1.007276
"895954"	361.114024	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-H"	-1.007276
"47497"	740.261871	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M-2H+NH4"	16.019271
"488157"	1102.383171	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M-2H+NH4"	16.019271
"867424"	378.140571	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-2H+NH4"	16.019271
"33870"	745.217266	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M-2H+Na"	20.974666
"474523"	1107.338566	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M-2H+Na"	20.974666
"853422"	383.095966	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-2H+Na"	20.974666
"1623321"	383.095966	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Na-2H"	20.974666
"102036"	379.102363	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M-H+Cl"	33.962126
"536128"	560.163013	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M-H+Cl"	33.962126
"937299"	198.041713	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-H+Cl"	33.962126
"271484"	759.212002	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+Cl"	34.969402
"664999"	1121.333302	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+Cl"	34.969402
"1276312"	397.090702	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Cl"	34.969402
"25430"	761.191206	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M-2H+K"	36.948606
"469006"	1123.312506	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M-2H+K"	36.948606
"848352"	399.069906	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-2H+K"	36.948606
"1571031"	399.069906	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+K-2H"	36.948606
"957820"	407.119494	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-H+HCOOH"	44.998194
"373483"	769.240801	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+HCOOH-H"	44.998201
"356269"	783.256451	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+Hac-H"	59.013851
"1497447"	421.135151	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Hac-H"	59.013851
"962799"	429.101451	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-H+NaCOOH"	66.980151
"113892"	397.090702	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+2Cl"	69.938804
"557826"	578.151352	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+2Cl"	69.938804
"1027718"	216.030052	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2Cl"	69.938804
"1244016"	441.040185	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Br"	78.918885
"1305369"	443.096172	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Cl+HCOOH"	80.974872
"1321772"	465.078129	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Cl+NaCOOH"	102.956829
"914287"	475.106886	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M-H+CF3COOH"	112.985586
"1292089"	511.083564	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Cl+CF3COOH"	148.962264
"1373164"	327.108624	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H-2H2O"	-35.012676
"1391766"	345.1186	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H-H2O"	-17.0027
"292545"	725.249876	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+H"	1.007276
"679499"	1087.371176	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+H"	1.007276
"1364236"	363.128576	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H"	1.007276
"138219"	363.128576	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+2H"	2.014552
"576686"	544.189226	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+2H"	2.014552
"1050954"	182.067926	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2H"	2.014552
"219430"	242.421476	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+3H"	3.021828
"655504"	363.128576	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+3H"	3.021828
"1177155"	121.714376	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+3H"	3.021828
"436903"	742.276423	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+NH4"	18.033823
"797896"	1104.397723	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+NH4"	18.033823
"1692038"	380.155123	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+NH4"	18.033823
"339222"	371.6418495	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+H+NH4"	19.041099
"732743"	552.7024995	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+H+NH4"	19.041099
"1485471"	190.5811995	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H+NH4"	19.041099
"393700"	747.231818	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+Na"	22.989218
"756396"	1109.353118	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+Na"	22.989218
"1604495"	385.110518	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Na"	22.989218
"321094"	374.119547	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+H+Na"	23.996494
"707436"	555.180197	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+H+Na"	23.996494
"1467335"	193.058897	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H+Na"	23.996494
"1057297"	129.04169	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2H+Na"	25.00377
"1258610"	395.154786	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+CH3OH+H"	33.033486
"378036"	763.205758	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+K"	38.963158
"739635"	1125.327058	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+K"	38.963158
"1543151"	401.084458	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+K"	38.963158
"299716"	382.106517	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+H+K"	39.970434
"695668"	563.167167	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+H+K"	39.970434
"1448393"	201.045867	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H+K"	39.970434
"236263"	766.276426	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+ACN+H"	42.033826
"1210789"	404.155126	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+ACN+H"	42.033826
"1195649"	202.581201	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+ACN+2H"	43.041102
"190472"	769.21376	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+2Na-H"	44.97116
"630032"	1131.33506	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+2Na-H"	44.97116
"1143750"	407.09246	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2Na-H"	44.97116
"177927"	385.110518	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+2Na"	45.978436
"618215"	566.171168	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+2Na"	45.978436
"1121357"	204.049868	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2Na"	45.978436
"1401962"	136.369004	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H+2Na"	46.985712
"1433714"	409.134046	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H+HCOOH"	47.012746
"227785"	390.14354	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+3H2O+2H"	56.04448
"1513661"	423.18609	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+IsoProp+H"	61.06479
"412255"	393.097488	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+Na+K"	61.952376
"772885"	574.158138	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+Na+K"	61.952376
"1666785"	212.036838	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Na+K"	61.952376
"253302"	788.258368	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+ACN+Na"	64.015768
"1226539"	426.137068	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+ACN+Na"	64.015768
"1714170"	426.160593	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+NH4+HCOOH"	64.039293
"1178908"	143.696318	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+3Na"	68.967654
"1650420"	431.115988	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Na+HCOOH"	68.994688
"157649"	801.16164	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+2K-H"	76.91904
"597735"	1163.28294	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+2K-H"	76.91904
"1084284"	439.04034	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2K-H"	76.91904
"145076"	401.084458	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"2M+2K"	77.926316
"583544"	582.145108	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"3M+2K"	77.926316
"1076806"	220.023808	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2K"	77.926316
"1114028"	441.054892	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2K+H"	78.933592
"1350293"	441.142507	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+DMSO+H"	79.021207
"1016024"	445.181676	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2ACN+H"	83.060376
"1533056"	446.175308	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+IsoProp+Na+H"	84.054008
"999503"	223.094476	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+2ACN+2H"	84.067652
"1597287"	447.089928	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+K+HCOOH"	84.968628
"1418573"	477.121438	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+H+CF3COOH"	115.000138
"1160890"	243.607751	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+3ACN+2H"	125.094202
"1710442"	494.147985	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+NH4+CF3COOH"	132.026685
"1637343"	499.10338	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+Na+CF3COOH"	136.98208
"1571905"	515.07732	"C09773"	"Catalpol"	"C15H22O10"	"362.1213"	"M+K+CF3COOH"	152.95602
"802636"	316.1311	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M"	0
"976529"	297.11271	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-H2O-H"	-19.01839
"69515"	209.746790666667	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M-3H"	-3.021828
"507982"	315.123824	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M-3H"	-3.021828
"887969"	104.369757333333	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-3H"	-3.021828
"2170"	315.123824	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M-2H"	-2.014552
"445012"	473.189374	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M-2H"	-2.014552
"818438"	157.058274	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-2H"	-2.014552
"80250"	631.254924	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M-H"	-1.007276
"522362"	947.386024	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M-H"	-1.007276
"895784"	315.123824	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-H"	-1.007276
"47449"	648.281471	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M-2H+NH4"	16.019271
"487781"	964.412571	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M-2H+NH4"	16.019271
"867534"	332.150371	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-2H+NH4"	16.019271
"35074"	653.236866	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M-2H+Na"	20.974666
"475363"	969.367966	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M-2H+Na"	20.974666
"853532"	337.105766	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-2H+Na"	20.974666
"1624888"	337.105766	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Na-2H"	20.974666
"102146"	333.112163	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M-H+Cl"	33.962126
"535874"	491.177713	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M-H+Cl"	33.962126
"937409"	175.046613	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-H+Cl"	33.962126
"271594"	667.231602	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+Cl"	34.969402
"665109"	983.362702	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+Cl"	34.969402
"1274356"	351.100502	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Cl"	34.969402
"21165"	669.210806	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M-2H+K"	36.948606
"468382"	985.341906	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M-2H+K"	36.948606
"846920"	353.079706	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-2H+K"	36.948606
"1568220"	353.079706	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+K-2H"	36.948606
"955372"	361.129294	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-H+HCOOH"	44.998194
"374317"	677.260401	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+HCOOH-H"	44.998201
"350911"	691.276051	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+Hac-H"	59.013851
"1500835"	375.144951	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Hac-H"	59.013851
"967282"	383.111251	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-H+NaCOOH"	66.980151
"115096"	351.100502	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+2Cl"	69.938804
"553562"	509.166052	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+2Cl"	69.938804
"1026733"	193.034952	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2Cl"	69.938804
"1244124"	395.049985	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Br"	78.918885
"1307665"	397.105972	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Cl+HCOOH"	80.974872
"1324069"	419.087929	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Cl+NaCOOH"	102.956829
"915125"	429.116686	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M-H+CF3COOH"	112.985586
"1290377"	465.093364	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Cl+CF3COOH"	148.962264
"1369994"	281.118424	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H-2H2O"	-35.012676
"1388596"	299.1284	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H-H2O"	-17.0027
"287187"	633.269476	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+H"	1.007276
"680702"	949.400576	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+H"	1.007276
"1362522"	317.138376	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H"	1.007276
"131037"	317.138376	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+2H"	2.014552
"577160"	475.203926	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+2H"	2.014552
"1051064"	159.072826	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2H"	2.014552
"218601"	211.761342666667	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+3H"	3.021828
"659139"	317.138376	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+3H"	3.021828
"1177020"	106.384309333333	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+3H"	3.021828
"438106"	650.296023	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+NH4"	18.033823
"798004"	966.427123	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+NH4"	18.033823
"1692148"	334.164923	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+NH4"	18.033823
"334958"	325.6516495	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+H+NH4"	19.041099
"732853"	483.7171995	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+H+NH4"	19.041099
"1486674"	167.5860995	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H+NH4"	19.041099
"394782"	655.251418	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+Na"	22.989218
"757234"	971.382518	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+Na"	22.989218
"1604605"	339.120318	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Na"	22.989218
"320110"	328.129347	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+H+Na"	23.996494
"709612"	486.194897	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+H+Na"	23.996494
"1466352"	170.063797	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H+Na"	23.996494
"1057407"	113.711623333333	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2H+Na"	25.00377
"1258355"	349.164586	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+CH3OH+H"	33.033486
"379118"	671.225358	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+K"	38.963158
"739376"	987.356458	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+K"	38.963158
"1543990"	355.094258	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+K"	38.963158
"302624"	336.116317	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+H+K"	39.970434
"696872"	494.181867	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+H+K"	39.970434
"1448504"	178.050767	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H+K"	39.970434
"237833"	674.296026	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+ACN+H"	42.033826
"1211633"	358.164926	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+ACN+H"	42.033826
"1195881"	179.586101	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+ACN+2H"	43.041102
"191675"	677.23336	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+2Na-H"	44.97116
"630506"	993.36446	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+2Na-H"	44.97116
"1139485"	361.10226	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2Na-H"	44.97116
"178036"	339.120318	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+2Na"	45.978436
"619054"	497.185868	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+2Na"	45.978436
"1119643"	181.054768	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2Na"	45.978436
"1402799"	121.038937333333	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H+2Na"	46.985712
"1434189"	363.143846	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H+HCOOH"	47.012746
"228988"	344.15334	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+3H2O+2H"	56.04448
"1514864"	377.19589	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+IsoProp+H"	61.06479
"412364"	347.107288	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+Na+K"	61.952376
"772996"	505.172838	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+Na+K"	61.952376
"1668596"	189.041738	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Na+K"	61.952376
"254749"	696.277968	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+ACN+Na"	64.015768
"1227095"	380.146868	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+ACN+Na"	64.015768
"1714034"	380.170393	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+NH4+HCOOH"	64.039293
"1180242"	128.366251333333	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+3Na"	68.967654
"1650374"	385.125788	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Na+HCOOH"	68.994688
"157354"	709.18124	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+2K-H"	76.91904
"597442"	1025.31234	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+2K-H"	76.91904
"1084962"	393.05014	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2K-H"	76.91904
"147372"	355.094258	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"2M+2K"	77.926316
"586933"	513.159808	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"3M+2K"	77.926316
"1075823"	197.028708	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2K"	77.926316
"1114137"	395.064692	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2K+H"	78.933592
"1351014"	395.152307	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+DMSO+H"	79.021207
"1013947"	399.191476	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2ACN+H"	83.060376
"1533166"	400.185108	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+IsoProp+Na+H"	84.054008
"998520"	200.099376	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+2ACN+2H"	84.067652
"1596304"	401.099728	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+K+HCOOH"	84.968628
"1418683"	431.131238	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+H+CF3COOH"	115.000138
"1161000"	220.612651	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+3ACN+2H"	125.094202
"1709459"	448.157785	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+NH4+CF3COOH"	132.026685
"1637453"	453.11318	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+Na+CF3COOH"	136.98208
"1572015"	469.08712	"C09774"	"2-O-Methylodoratol;Methylodoratol"	"C18H20O5"	"316.1311"	"M+K+CF3COOH"	152.95602
"802382"	482.1424	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M"	0
"975911"	463.12401	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-H2O-H"	-19.01839
"67439"	320.420990666667	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M-3H"	-3.021828
"504813"	481.135124	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M-3H"	-3.021828
"884801"	159.706857333333	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-3H"	-3.021828
"1188"	481.135124	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M-2H"	-2.014552
"441843"	722.206324	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M-2H"	-2.014552
"820006"	240.063924	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-2H"	-2.014552
"79995"	963.277524	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M-H"	-1.007276
"523567"	1445.419924	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M-H"	-1.007276
"896993"	481.135124	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-H"	-1.007276
"47723"	980.304071	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M-2H+NH4"	16.019271
"488501"	1462.446471	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M-2H+NH4"	16.019271
"865944"	498.161671	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-2H+NH4"	16.019271
"34456"	985.259466	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M-2H+Na"	20.974666
"474016"	1467.401866	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M-2H+Na"	20.974666
"855100"	503.117066	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-2H+Na"	20.974666
"1624634"	503.117066	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Na-2H"	20.974666
"101162"	499.123463	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M-H+Cl"	33.962126
"535256"	740.194663	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M-H+Cl"	33.962126
"937519"	258.052263	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-H+Cl"	33.962126
"271704"	999.254202	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+Cl"	34.969402
"665219"	1481.396602	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+Cl"	34.969402
"1276532"	517.111802	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Cl"	34.969402
"21275"	1001.233406	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M-2H+K"	36.948606
"466305"	1483.375806	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M-2H+K"	36.948606
"846664"	519.091006	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-2H+K"	36.948606
"1565414"	519.091006	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+K-2H"	36.948606
"948922"	527.140594	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-H+HCOOH"	44.998194
"374427"	1009.283001	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+HCOOH-H"	44.998201
"356487"	1023.298651	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+Hac-H"	59.013851
"1500945"	541.156251	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Hac-H"	59.013851
"963018"	549.122551	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-H+NaCOOH"	66.980151
"115204"	517.111802	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+2Cl"	69.938804
"555858"	758.183002	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+2Cl"	69.938804
"1024657"	276.040602	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2Cl"	69.938804
"1245329"	561.061285	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Br"	78.918885
"1305589"	563.117272	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Cl+HCOOH"	80.974872
"1323450"	585.099229	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Cl+NaCOOH"	102.956829
"913414"	595.127986	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M-H+CF3COOH"	112.985586
"1289758"	631.104664	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Cl+CF3COOH"	148.962264
"1367915"	447.129724	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H-2H2O"	-35.012676
"1389799"	465.1397	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H-H2O"	-17.0027
"285110"	965.292076	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+H"	1.007276
"681905"	1447.434476	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+H"	1.007276
"1362268"	483.149676	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H"	1.007276
"131147"	483.149676	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+2H"	2.014552
"576181"	724.220876	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+2H"	2.014552
"1049351"	242.078476	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2H"	2.014552
"219808"	322.435542666667	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+3H"	3.021828
"658766"	483.149676	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+3H"	3.021828
"1177979"	161.721409333333	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+3H"	3.021828
"438943"	982.318623	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+NH4"	18.033823
"796292"	1464.461023	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+NH4"	18.033823
"1691894"	500.176223	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+NH4"	18.033823
"340534"	491.6629495	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+H+NH4"	19.041099
"731868"	732.7341495	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+H+NH4"	19.041099
"1480222"	250.5917495	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H+NH4"	19.041099
"395620"	987.274018	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+Na"	22.989218
"757707"	1469.416418	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+Na"	22.989218
"1611274"	505.131618	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Na"	22.989218
"319126"	494.140647	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+H+Na"	23.996494
"714826"	735.211847	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+H+Na"	23.996494
"1469740"	253.069447	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H+Na"	23.996494
"1058610"	169.048723333333	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2H+Na"	25.00377
"1258101"	515.175886	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+CH3OH+H"	33.033486
"378864"	1003.247958	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+K"	38.963158
"739163"	1485.390358	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+K"	38.963158
"1547380"	521.105558	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+K"	38.963158
"305650"	502.127617	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+H+K"	39.970434
"696982"	743.198817	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+H+K"	39.970434
"1450799"	261.056417	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H+K"	39.970434
"238307"	1006.318626	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+ACN+H"	42.033826
"1211256"	524.176226	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+ACN+H"	42.033826
"1195505"	262.591751	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+ACN+2H"	43.041102
"190325"	1009.25596	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+2Na-H"	44.97116
"634990"	1491.39836	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+2Na-H"	44.97116
"1139595"	527.11356	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2Na-H"	44.97116
"177418"	505.131618	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+2Na"	45.978436
"618800"	746.202818	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+2Na"	45.978436
"1121941"	264.060418	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2Na"	45.978436
"1401453"	176.376037333333	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H+2Na"	46.985712
"1435028"	529.155146	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H+HCOOH"	47.012746
"226911"	510.16464	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+3H2O+2H"	56.04448
"1517161"	543.20719	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+IsoProp+H"	61.06479
"416847"	513.118588	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+Na+K"	61.952376
"774198"	754.189788	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+Na+K"	61.952376
"1669801"	272.047388	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Na+K"	61.952376
"254129"	1028.300568	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+ACN+Na"	64.015768
"1228664"	546.158168	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+ACN+Na"	64.015768
"1713902"	546.181693	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+NH4+HCOOH"	64.039293
"1180715"	183.703351333333	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+3Na"	68.967654
"1649977"	551.137088	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Na+HCOOH"	68.994688
"157177"	1041.20384	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+2K-H"	76.91904
"597344"	1523.34624	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+2K-H"	76.91904
"1085680"	559.06144	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2K-H"	76.91904
"144202"	521.105558	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"2M+2K"	77.926316
"588136"	762.176758	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"3M+2K"	77.926316
"1078119"	280.034358	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2K"	77.926316
"1114610"	561.075992	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2K+H"	78.933592
"1350883"	561.163607	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+DMSO+H"	79.021207
"1015880"	565.202776	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2ACN+H"	83.060376
"1533276"	566.196408	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+IsoProp+Na+H"	84.054008
"998630"	283.105026	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+2ACN+2H"	84.067652
"1596414"	567.111028	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+K+HCOOH"	84.968628
"1419886"	597.142538	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+H+CF3COOH"	115.000138
"1160747"	303.618301	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+3ACN+2H"	125.094202
"1710299"	614.169085	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+NH4+CF3COOH"	132.026685
"1639750"	619.12448	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+Na+CF3COOH"	136.98208
"1572125"	635.09842	"C09775"	"Catalposide"	"C22H26O12"	"482.1424"	"M+K+CF3COOH"	152.95602
"802492"	424.2097	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M"	0
"975293"	405.19131	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-H2O-H"	-19.01839
"67549"	281.799190666667	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M-3H"	-3.021828
"504193"	423.202424	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M-3H"	-3.021828
"880538"	140.395957333333	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-3H"	-3.021828
"76"	423.202424	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M-2H"	-2.014552
"441586"	635.307274	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M-2H"	-2.014552
"819021"	211.097574	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-2H"	-2.014552
"79740"	847.412124	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M-H"	-1.007276
"519175"	1271.621824	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M-H"	-1.007276
"896006"	423.202424	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-H"	-1.007276
"48076"	864.438671	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M-2H+NH4"	16.019271
"488247"	1288.648371	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M-2H+NH4"	16.019271
"865076"	440.228971	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-2H+NH4"	16.019271
"35659"	869.394066	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M-2H+Na"	20.974666
"477041"	1293.603766	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M-2H+Na"	20.974666
"856304"	445.184366	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-2H+Na"	20.974666
"1625838"	445.184366	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Na-2H"	20.974666
"97992"	441.190763	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M-H+Cl"	33.962126
"539740"	653.295613	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M-H+Cl"	33.962126
"935442"	229.085913	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-H+Cl"	33.962126
"278375"	883.388802	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+Cl"	34.969402
"665329"	1307.598502	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+Cl"	34.969402
"1276642"	459.179102	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Cl"	34.969402
"20292"	885.368006	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M-2H+K"	36.948606
"466415"	1309.577706	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M-2H+K"	36.948606
"846045"	461.158306	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-2H+K"	36.948606
"1565524"	461.158306	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+K-2H"	36.948606
"949032"	469.207894	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-H+HCOOH"	44.998194
"371621"	893.417601	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+HCOOH-H"	44.998201
"356597"	907.433251	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+Hac-H"	59.013851
"1501055"	483.223551	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Hac-H"	59.013851
"963128"	491.189851	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-H+NaCOOH"	66.980151
"113128"	459.179102	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+2Cl"	69.938804
"554876"	671.283952	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+2Cl"	69.938804
"1024768"	247.074252	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2Cl"	69.938804
"1243254"	503.128585	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Br"	78.918885
"1305700"	505.184572	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Cl+HCOOH"	80.974872
"1326478"	527.166529	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Cl+NaCOOH"	102.956829
"911862"	537.195286	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M-H+CF3COOH"	112.985586
"1288855"	573.171964	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Cl+CF3COOH"	148.962264
"1367662"	389.197024	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H-2H2O"	-35.012676
"1392095"	407.207	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H-H2O"	-17.0027
"285219"	849.426676	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+H"	1.007276
"682015"	1273.636376	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+H"	1.007276
"1361649"	425.216976	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H"	1.007276
"132350"	425.216976	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+2H"	2.014552
"573006"	637.321826	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+2H"	2.014552
"1043992"	213.112126	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2H"	2.014552
"214445"	283.813742666667	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+3H"	3.021828
"655101"	425.216976	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+3H"	3.021828
"1177116"	142.410509333333	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+3H"	3.021828
"436865"	866.453223	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+NH4"	18.033823
"795308"	1290.662923	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+NH4"	18.033823
"1689089"	442.243523	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+NH4"	18.033823
"338458"	433.7302495	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+H+NH4"	19.041099
"728696"	645.8350995	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+H+NH4"	19.041099
"1480331"	221.6253995	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H+NH4"	19.041099
"394270"	871.408618	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+Na"	22.989218
"758182"	1295.618318	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+Na"	22.989218
"1610290"	447.198918	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Na"	22.989218
"317775"	436.207947	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+H+Na"	23.996494
"710928"	648.312797	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+H+Na"	23.996494
"1469848"	224.103097	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H+Na"	23.996494
"1059813"	149.737823333333	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2H+Na"	25.00377
"1257847"	457.243186	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+CH3OH+H"	33.033486
"379338"	887.382558	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+K"	38.963158
"738752"	1311.592258	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+K"	38.963158
"1539941"	463.172858	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+K"	38.963158
"302480"	444.194917	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+H+K"	39.970434
"697091"	656.299767	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+H+K"	39.970434
"1449816"	232.090067	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H+K"	39.970434
"236591"	890.453226	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+ACN+H"	42.033826
"1210757"	466.243526	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+ACN+H"	42.033826
"1197192"	233.625401	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+ACN+2H"	43.041102
"190071"	893.39056	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+2Na-H"	44.97116
"631452"	1317.60026	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+2Na-H"	44.97116
"1136057"	469.18086	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2Na-H"	44.97116
"177529"	447.198918	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+2Na"	45.978436
"618182"	659.303768	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+2Na"	45.978436
"1118771"	235.094068	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2Na"	45.978436
"1401927"	157.065137333333	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H+2Na"	46.985712
"1434045"	471.222446	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H+HCOOH"	47.012746
"229208"	452.23194	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+3H2O+2H"	56.04448
"1518364"	485.27449	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+IsoProp+H"	61.06479
"411487"	455.185888	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+Na+K"	61.952376
"771753"	667.290738	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+Na+K"	61.952376
"1671003"	243.081038	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Na+K"	61.952376
"253145"	912.435168	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+ACN+Na"	64.015768
"1228044"	488.225468	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+ACN+Na"	64.015768
"1713032"	488.248993	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+NH4+HCOOH"	64.039293
"1178675"	164.392451333333	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+3Na"	68.967654
"1649868"	493.204388	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Na+HCOOH"	68.994688
"157291"	925.33844	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+2K-H"	76.91904
"597452"	1349.54814	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+2K-H"	76.91904
"1084527"	501.12874	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2K-H"	76.91904
"144676"	463.172858	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"2M+2K"	77.926316
"591528"	675.277708	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"3M+2K"	77.926316
"1079324"	251.068008	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2K"	77.926316
"1111440"	503.143292	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2K+H"	78.933592
"1351116"	503.230907	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+DMSO+H"	79.021207
"1016355"	507.270076	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2ACN+H"	83.060376
"1535574"	508.263708	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+IsoProp+Na+H"	84.054008
"1004209"	254.138676	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+2ACN+2H"	84.067652
"1595430"	509.178328	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+K+HCOOH"	84.968628
"1426557"	539.209838	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+H+CF3COOH"	115.000138
"1161586"	274.651951	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+3ACN+2H"	125.094202
"1711502"	556.236385	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+NH4+CF3COOH"	132.026685
"1639860"	561.19178	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+Na+CF3COOH"	136.98208
"1573328"	577.16572	"C09776"	"Didrovaltratum;Didrovaltrate"	"C22H32O8"	"424.2097"	"M+K+CF3COOH"	152.95602
"804788"	166.0994	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M"	0
"978319"	147.08101	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"74219"	109.725657333333	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"512686"	165.092124	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"887209"	54.3591906666667	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"3598"	165.092124	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"446435"	248.141824	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"822048"	82.042424	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"84227"	331.191524	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"524882"	497.290924	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"900495"	165.092124	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"54871"	348.218071	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"491151"	514.317471	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"866404"	182.118671	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"36134"	353.173466	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"477151"	519.272866	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"856414"	187.074066	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1625948"	187.074066	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"98102"	183.080463	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"538757"	266.130163	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"932272"	100.030763	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"275205"	367.168202	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"662519"	533.267602	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1275657"	201.068802	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"16023"	369.147406	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"466525"	535.246806	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"845426"	203.048006	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1565634"	203.048006	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"949142"	211.097594	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"369544"	377.197001	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"350147"	391.212651	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1501165"	225.113251	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"967612"	233.079551	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"117612"	201.068802	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"554986"	284.118502	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1023784"	118.019102	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1243363"	245.018285	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1306174"	247.074272	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1326588"	269.056229	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"911469"	279.084986	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1288601"	315.061664	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1367206"	131.086724	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1391112"	149.0967	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"284600"	333.206076	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"682125"	499.305476	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1358478"	167.106676	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"133553"	167.106676	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"572023"	250.156376	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1044102"	84.056976	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"208721"	111.740209333333	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"653388"	167.106676	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1173337"	56.3737426666667	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"436977"	350.232623	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"797605"	516.332023	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1689199"	184.133223	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"335289"	175.6199495	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"728805"	258.6696495	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1480076"	92.5702495	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"395109"	355.188018	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"759021"	521.287418	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1611493"	189.088618	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"319344"	178.097647	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"715045"	261.147347	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1462668"	95.047947	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1057736"	63.7010566666667	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1257957"	199.132886	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"377867"	371.161958	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"738642"	537.261358	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1540004"	205.062558	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"298561"	186.084617	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"695014"	269.134317	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1447007"	103.034917	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"236336"	374.232626	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1210258"	208.133226	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1194752"	104.570251	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"190299"	377.16996	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"631923"	543.26936	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1135803"	211.07056	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"182013"	189.088618	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"618656"	272.138318	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1121797"	106.038918	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1402037"	71.0283706666667	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1434155"	213.112146	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"229318"	194.12164	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1516287"	227.16419	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"412694"	197.075588	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"772593"	280.125288	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1670021"	114.025888	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"254348"	396.214568	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1229612"	230.115168	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1713066"	230.138693	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1178824"	78.3556846666667	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1649971"	235.094088	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"157690"	409.11784	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"597126"	575.21724	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1085777"	243.01844	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"144422"	205.062558	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"589452"	288.112258	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1079434"	122.012858	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1111550"	245.032992	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1349032"	245.120607	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1016465"	249.159776	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1535684"	250.153408	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"1004806"	125.083526	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1595540"	251.068028	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1427760"	281.099538	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1161330"	145.596801	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1710518"	298.126085	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1637783"	303.08148	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1573438"	319.05542	"C09777"	"Dolichodial;Iridial"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"810367"	244.0736	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M"	0
"981712"	225.05521	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-H2O-H"	-19.01839
"67769"	161.708457333333	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M-3H"	-3.021828
"503317"	243.066324	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M-3H"	-3.021828
"881123"	80.3505906666667	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-3H"	-3.021828
"1885"	243.066324	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M-2H"	-2.014552
"445452"	365.103124	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M-2H"	-2.014552
"820338"	121.029524	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-2H"	-2.014552
"80687"	487.139924	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M-H"	-1.007276
"521344"	731.213524	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M-H"	-1.007276
"896956"	243.066324	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-H"	-1.007276
"48538"	504.166471	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M-2H+NH4"	16.019271
"488831"	748.240071	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M-2H+NH4"	16.019271
"867607"	260.092871	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-2H+NH4"	16.019271
"35149"	509.121866	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M-2H+Na"	20.974666
"477625"	753.195466	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M-2H+Na"	20.974666
"858712"	265.048266	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-2H+Na"	20.974666
"1628974"	265.048266	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Na-2H"	20.974666
"101492"	261.054663	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M-H+Cl"	33.962126
"537042"	383.091463	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M-H+Cl"	33.962126
"934569"	139.017863	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-H+Cl"	33.962126
"272031"	523.116602	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+Cl"	34.969402
"662265"	767.190202	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+Cl"	34.969402
"1276861"	279.043002	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Cl"	34.969402
"27077"	525.095806	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M-2H+K"	36.948606
"470168"	769.169406	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M-2H+K"	36.948606
"847363"	281.022206	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-2H+K"	36.948606
"1570121"	281.022206	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+K-2H"	36.948606
"957562"	289.071794	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-H+HCOOH"	44.998194
"375853"	533.145401	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+HCOOH-H"	44.998201
"354631"	547.161051	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+Hac-H"	59.013851
"1503463"	303.087451	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Hac-H"	59.013851
"968451"	311.053751	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-H+NaCOOH"	66.980151
"115536"	279.043002	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+2Cl"	69.938804
"558376"	401.079802	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+2Cl"	69.938804
"1029362"	157.006202	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2Cl"	69.938804
"1247846"	322.992485	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Br"	78.918885
"1307016"	325.048472	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Cl+HCOOH"	80.974872
"1323418"	347.030429	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Cl+NaCOOH"	102.956829
"912653"	357.059186	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M-H+CF3COOH"	112.985586
"1289845"	393.035864	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Cl+CF3COOH"	148.962264
"1367076"	209.060924	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H-2H2O"	-35.012676
"1389036"	227.0709	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H-H2O"	-17.0027
"285439"	489.154476	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+H"	1.007276
"682235"	733.228076	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+H"	1.007276
"1356401"	245.080876	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H"	1.007276
"133663"	245.080876	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+2H"	2.014552
"573226"	367.117676	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+2H"	2.014552
"1044213"	123.044076	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2H"	2.014552
"215394"	163.723009333333	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+3H"	3.021828
"653862"	245.080876	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+3H"	3.021828
"1170895"	82.3651426666667	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+3H"	3.021828
"436721"	506.181023	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+NH4"	18.033823
"790789"	750.254623	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+NH4"	18.033823
"1692225"	262.107423	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+NH4"	18.033823
"335399"	253.5941495	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+H+NH4"	19.041099
"727093"	375.6309495	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+H+NH4"	19.041099
"1480186"	131.5573495	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H+NH4"	19.041099
"394489"	511.136418	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+Na"	22.989218
"756579"	755.210018	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+Na"	22.989218
"1608323"	267.062818	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Na"	22.989218
"322734"	256.071847	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+H+Na"	23.996494
"711875"	378.108647	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+H+Na"	23.996494
"1463142"	134.035047	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H+Na"	23.996494
"1058210"	89.6924566666667	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2H+Na"	25.00377
"1258067"	277.107086	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+CH3OH+H"	33.033486
"377856"	527.110358	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+K"	38.963158
"738890"	771.183958	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+K"	38.963158
"1540411"	283.036758	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+K"	38.963158
"300874"	264.058817	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+H+K"	39.970434
"697310"	386.095617	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+H+K"	39.970434
"1447848"	142.022017	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H+K"	39.970434
"236810"	530.181026	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+ACN+H"	42.033826
"1210978"	286.107426	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+ACN+H"	42.033826
"1195105"	143.557351	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+ACN+2H"	43.041102
"191016"	533.11836	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+2Na-H"	44.97116
"632407"	777.19196	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+2Na-H"	44.97116
"1142113"	289.04476	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2Na-H"	44.97116
"179935"	267.062818	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+2Na"	45.978436
"623869"	389.099618	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+2Na"	45.978436
"1127374"	145.026018	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2Na"	45.978436
"1408712"	97.0197706666667	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H+2Na"	46.985712
"1436453"	291.086346	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H+HCOOH"	47.012746
"231615"	272.09584	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+3H2O+2H"	56.04448
"1512386"	305.13839	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+IsoProp+H"	61.06479
"412074"	275.049788	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+Na+K"	61.952376
"772339"	397.086588	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+Na+K"	61.952376
"1668309"	153.012988	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Na+K"	61.952376
"254824"	552.162968	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+ACN+Na"	64.015768
"1226804"	308.089368	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+ACN+Na"	64.015768
"1714964"	308.112893	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+NH4+HCOOH"	64.039293
"1179224"	104.347084666667	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+3Na"	68.967654
"1649875"	313.068288	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Na+HCOOH"	68.994688
"157312"	565.06624	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+2K-H"	76.91904
"597748"	809.13984	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+2K-H"	76.91904
"1084203"	320.99264	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2K-H"	76.91904
"152189"	283.036758	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"2M+2K"	77.926316
"595031"	405.073558	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"3M+2K"	77.926316
"1082824"	160.999958	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2K"	77.926316
"1114577"	323.007192	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2K+H"	78.933592
"1349872"	323.094807	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+DMSO+H"	79.021207
"1019855"	327.133976	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2ACN+H"	83.060376
"1538956"	328.127608	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+IsoProp+Na+H"	84.054008
"1004433"	164.070626	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+2ACN+2H"	84.067652
"1600026"	329.042228	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+K+HCOOH"	84.968628
"1426778"	359.073738	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+H+CF3COOH"	115.000138
"1160714"	184.583901	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+3ACN+2H"	125.094202
"1708805"	376.100285	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+NH4+CF3COOH"	132.026685
"1637893"	381.05568	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+Na+CF3COOH"	136.98208
"1572816"	397.02962	"C09778"	"Fulvoplumierin"	"C14H12O4"	"244.0736"	"M+K+CF3COOH"	152.95602
"805010"	404.1319	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M"	0
"984013"	385.11351	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-H2O-H"	-19.01839
"72254"	268.413990666667	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M-3H"	-3.021828
"505254"	403.124624	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M-3H"	-3.021828
"885243"	133.703357333333	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-3H"	-3.021828
"10377"	403.124624	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M-2H"	-2.014552
"443741"	605.190574	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M-2H"	-2.014552
"820083"	201.058674	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-2H"	-2.014552
"81532"	807.256524	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M-H"	-1.007276
"520728"	1211.388424	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M-H"	-1.007276
"898166"	403.124624	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-H"	-1.007276
"50720"	824.283071	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M-2H+NH4"	16.019271
"488822"	1228.414971	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M-2H+NH4"	16.019271
"866015"	420.151171	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-2H+NH4"	16.019271
"38176"	829.238466	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M-2H+Na"	20.974666
"477370"	1233.370366	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M-2H+Na"	20.974666
"853352"	425.106566	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-2H+Na"	20.974666
"1625075"	425.106566	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Na-2H"	20.974666
"96498"	421.112963	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M-H+Cl"	33.962126
"537151"	623.178913	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M-H+Cl"	33.962126
"931401"	219.047013	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-H+Cl"	33.962126
"275425"	843.233202	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+Cl"	34.969402
"663475"	1247.365102	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+Cl"	34.969402
"1280253"	439.101302	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Cl"	34.969402
"30720"	845.212406	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M-2H+K"	36.948606
"470889"	1249.344306	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M-2H+K"	36.948606
"846379"	441.080506	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-2H+K"	36.948606
"1569502"	441.080506	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+K-2H"	36.948606
"956651"	449.130094	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-H+HCOOH"	44.998194
"376814"	853.262001	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+HCOOH-H"	44.998201
"358629"	867.277651	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+Hac-H"	59.013851
"1504664"	463.145751	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Hac-H"	59.013851
"964551"	471.112051	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-H+NaCOOH"	66.980151
"116738"	439.101302	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+2Cl"	69.938804
"556300"	641.167252	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+2Cl"	69.938804
"1029472"	237.035352	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2Cl"	69.938804
"1249049"	483.050785	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Br"	78.918885
"1311497"	485.106772	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Cl+HCOOH"	80.974872
"1323528"	507.088729	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Cl+NaCOOH"	102.956829
"917867"	517.117486	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M-H+CF3COOH"	112.985586
"1290202"	553.094164	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Cl+CF3COOH"	148.962264
"1373835"	369.119224	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H-2H2O"	-35.012676
"1386955"	387.1292	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H-H2O"	-17.0027
"288833"	809.271076	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+H"	1.007276
"681254"	1213.402976	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+H"	1.007276
"1354323"	405.139176	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H"	1.007276
"128668"	405.139176	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+2H"	2.014552
"572243"	607.205126	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+2H"	2.014552
"1049428"	203.073226	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2H"	2.014552
"208943"	270.428542666667	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+3H"	3.021828
"650690"	405.139176	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+3H"	3.021828
"1171004"	135.717909333333	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+3H"	3.021828
"428078"	826.297623	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+NH4"	18.033823
"789804"	1230.429523	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+NH4"	18.033823
"1685044"	422.165723	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+NH4"	18.033823
"332957"	413.6524495	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+H+NH4"	19.041099
"729028"	615.7183995	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+H+NH4"	19.041099
"1480296"	211.5864995	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H+NH4"	19.041099
"398244"	831.253018	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+Na"	22.989218
"758145"	1235.384918	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+Na"	22.989218
"1607702"	427.121118	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Na"	22.989218
"319562"	416.130147	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+H+Na"	23.996494
"711984"	618.196097	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+H+Na"	23.996494
"1466899"	214.064197	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H+Na"	23.996494
"1055405"	143.045223333333	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2H+Na"	25.00377
"1257441"	437.165386	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+CH3OH+H"	33.033486
"379669"	847.226958	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+K"	38.963158
"744675"	1251.358858	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+K"	38.963158
"1544542"	443.095058	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+K"	38.963158
"301717"	424.117117	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+H+K"	39.970434
"694135"	626.183067	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+H+K"	39.970434
"1446865"	222.051167	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H+K"	39.970434
"236557"	850.297626	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+ACN+H"	42.033826
"1211093"	446.165726	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+ACN+H"	42.033826
"1195456"	223.586501	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+ACN+2H"	43.041102
"191131"	853.23496	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+2Na-H"	44.97116
"641997"	1257.36686	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+2Na-H"	44.97116
"1143315"	449.10306	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2Na-H"	44.97116
"177859"	427.121118	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+2Na"	45.978436
"620700"	629.187068	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+2Na"	45.978436
"1124206"	225.055168	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2Na"	45.978436
"1407729"	150.372537333333	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H+2Na"	46.985712
"1437658"	451.144646	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H+HCOOH"	47.012746
"230631"	432.15414	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+3H2O+2H"	56.04448
"1513227"	465.19669	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+IsoProp+H"	61.06479
"410362"	435.108088	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+Na+K"	61.952376
"773912"	637.174038	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+Na+K"	61.952376
"1668055"	233.042138	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Na+K"	61.952376
"253847"	872.279568	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+ACN+Na"	64.015768
"1227647"	468.147668	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+ACN+Na"	64.015768
"1714343"	468.171193	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+NH4+HCOOH"	64.039293
"1179091"	157.699851333333	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+3Na"	68.967654
"1650318"	473.126588	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Na+HCOOH"	68.994688
"157591"	885.18284	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+2K-H"	76.91904
"603314"	1289.31474	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+2K-H"	76.91904
"1096583"	481.05094	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2K-H"	76.91904
"155948"	443.095058	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"2M+2K"	77.926316
"595144"	645.161008	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"3M+2K"	77.926316
"1082698"	241.029108	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2K"	77.926316
"1114821"	483.065492	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2K+H"	78.933592
"1349132"	483.153107	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+DMSO+H"	79.021207
"1021029"	487.192276	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2ACN+H"	83.060376
"1539800"	488.185908	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+IsoProp+Na+H"	84.054008
"1005027"	244.099776	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+2ACN+2H"	84.067652
"1602573"	489.100528	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+K+HCOOH"	84.968628
"1428350"	519.132038	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+H+CF3COOH"	115.000138
"1160461"	264.613051	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+3ACN+2H"	125.094202
"1711711"	536.158585	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+NH4+CF3COOH"	132.026685
"1640191"	541.11398	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+Na+CF3COOH"	136.98208
"1581312"	557.08792	"C09779"	"Gardenoside"	"C17H24O11"	"404.1319"	"M+K+CF3COOH"	152.95602
"802568"	226.0841	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M"	0
"976829"	207.06571	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-H2O-H"	-19.01839
"63613"	149.715457333333	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M-3H"	-3.021828
"510830"	225.076824	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M-3H"	-3.021828
"882434"	74.3540906666667	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-3H"	-3.021828
"6111"	225.076824	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M-2H"	-2.014552
"444579"	338.118874	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M-2H"	-2.014552
"819827"	112.034774	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-2H"	-2.014552
"81638"	451.160924	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M-H"	-1.007276
"520104"	677.245024	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M-H"	-1.007276
"897911"	225.076824	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-H"	-1.007276
"48638"	468.187471	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M-2H+NH4"	16.019271
"488687"	694.271571	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M-2H+NH4"	16.019271
"865634"	242.103371	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-2H+NH4"	16.019271
"36095"	473.142866	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M-2H+Na"	20.974666
"478939"	699.226966	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M-2H+Na"	20.974666
"854555"	247.058766	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-2H+Na"	20.974666
"1626278"	247.058766	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Na-2H"	20.974666
"96608"	243.065163	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M-H+Cl"	33.962126
"536896"	356.107213	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M-H+Cl"	33.962126
"936977"	130.023113	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-H+Cl"	33.962126
"278815"	487.137602	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+Cl"	34.969402
"663585"	713.221702	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+Cl"	34.969402
"1280363"	261.053502	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Cl"	34.969402
"30586"	489.116806	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M-2H+K"	36.948606
"470511"	715.200906	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M-2H+K"	36.948606
"847217"	263.032706	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-2H+K"	36.948606
"1569245"	263.032706	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+K-2H"	36.948606
"953845"	271.082294	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-H+HCOOH"	44.998194
"373883"	497.166401	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+HCOOH-H"	44.998201
"359832"	511.182051	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+Hac-H"	59.013851
"1503681"	285.097951	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Hac-H"	59.013851
"965754"	293.064251	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-H+NaCOOH"	66.980151
"117941"	261.053502	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+2Cl"	69.938804
"555316"	374.095552	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+2Cl"	69.938804
"1026300"	148.011452	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2Cl"	69.938804
"1246972"	305.002985	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Br"	78.918885
"1308326"	307.058972	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Cl+HCOOH"	80.974872
"1321815"	329.040929	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Cl+NaCOOH"	102.956829
"913603"	339.069686	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M-H+CF3COOH"	112.985586
"1290310"	375.046364	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Cl+CF3COOH"	148.962264
"1372850"	191.071424	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H-2H2O"	-35.012676
"1387065"	209.0814	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H-H2O"	-17.0027
"291131"	453.175476	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+H"	1.007276
"680271"	679.259576	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+H"	1.007276
"1356619"	227.091376	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H"	1.007276
"129507"	227.091376	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+2H"	2.014552
"572353"	340.133426	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+2H"	2.014552
"1049538"	114.049326	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2H"	2.014552
"209053"	151.730009333333	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+3H"	3.021828
"648977"	227.091376	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+3H"	3.021828
"1171114"	76.3686426666667	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+3H"	3.021828
"428917"	470.202023	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+NH4"	18.033823
"788821"	696.286123	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+NH4"	18.033823
"1686247"	244.117923	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+NH4"	18.033823
"334526"	235.6046495	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+H+NH4"	19.041099
"726948"	348.6466995	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+H+NH4"	19.041099
"1482224"	122.5625995	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H+NH4"	19.041099
"400540"	475.157418	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+Na"	22.989218
"759351"	701.241518	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+Na"	22.989218
"1606351"	249.073318	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Na"	22.989218
"317850"	238.082347	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+H+Na"	23.996494
"709907"	351.124397	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+H+Na"	23.996494
"1462017"	125.040297	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H+Na"	23.996494
"1053441"	83.6959566666667	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2H+Na"	25.00377
"1257552"	259.117586	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+CH3OH+H"	33.033486
"379779"	491.131358	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+K"	38.963158
"744785"	717.215458	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+K"	38.963158
"1543923"	265.047258	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+K"	38.963158
"300367"	246.069317	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+H+K"	39.970434
"694610"	359.111367	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+H+K"	39.970434
"1448434"	133.027267	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H+K"	39.970434
"237397"	494.202026	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+ACN+H"	42.033826
"1215214"	268.117926	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+ACN+H"	42.033826
"1196540"	134.562601	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+ACN+2H"	43.041102
"191969"	497.13936	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+2Na-H"	44.97116
"642107"	723.22346	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+2Na-H"	44.97116
"1142331"	271.05526	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2Na-H"	44.97116
"181249"	249.073318	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+2Na"	45.978436
"622997"	362.115368	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+2Na"	45.978436
"1125408"	136.031268	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2Na"	45.978436
"1405652"	91.0232706666667	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H+2Na"	46.985712
"1437767"	273.096846	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H+HCOOH"	47.012746
"228554"	254.10634	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+3H2O+2H"	56.04448
"1511150"	287.14889	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+IsoProp+H"	61.06479
"411564"	257.060288	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+Na+K"	61.952376
"774022"	370.102338	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+Na+K"	61.952376
"1667073"	144.018238	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Na+K"	61.952376
"253957"	516.183968	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+ACN+Na"	64.015768
"1226906"	290.099868	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+ACN+Na"	64.015768
"1714819"	290.123393	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+NH4+HCOOH"	64.039293
"1179565"	98.3505846666667	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+3Na"	68.967654
"1650792"	295.078788	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Na+HCOOH"	68.994688
"158141"	529.08724	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+2K-H"	76.91904
"603424"	755.17134	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+2K-H"	76.91904
"1098393"	303.00314	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2K-H"	76.91904
"156424"	265.047258	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"2M+2K"	77.926316
"596716"	378.089308	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"3M+2K"	77.926316
"1083862"	152.005208	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2K"	77.926316
"1114681"	305.017692	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2K+H"	78.933592
"1350701"	305.105307	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+DMSO+H"	79.021207
"1021177"	309.144476	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2ACN+H"	83.060376
"1538935"	310.138108	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+IsoProp+Na+H"	84.054008
"1005016"	155.075876	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+2ACN+2H"	84.067652
"1601832"	311.052728	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+K+HCOOH"	84.968628
"1428094"	341.084238	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+H+CF3COOH"	115.000138
"1161664"	175.589151	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+3ACN+2H"	125.094202
"1711211"	358.110785	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+NH4+CF3COOH"	132.026685
"1641394"	363.06618	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+Na+CF3COOH"	136.98208
"1581422"	379.04012	"C09780"	"Genipin"	"C11H14O5"	"226.0841"	"M+K+CF3COOH"	152.95602
"802192"	388.1369	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M"	0
"975845"	369.11851	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-H2O-H"	-19.01839
"65914"	257.750657333333	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M-3H"	-3.021828
"510940"	387.129624	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M-3H"	-3.021828
"881451"	128.371690666667	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-3H"	-3.021828
"5128"	387.129624	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M-2H"	-2.014552
"443960"	581.198074	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M-2H"	-2.014552
"818480"	193.061174	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-2H"	-2.014552
"78950"	775.266524	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M-H"	-1.007276
"521311"	1163.403424	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M-H"	-1.007276
"897654"	387.129624	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-H"	-1.007276
"51303"	792.293071	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M-2H+NH4"	16.019271
"487373"	1180.429971	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M-2H+NH4"	16.019271
"864653"	404.156171	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-2H+NH4"	16.019271
"31705"	797.248466	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M-2H+Na"	20.974666
"471665"	1185.385366	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M-2H+Na"	20.974666
"853570"	409.111566	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-2H+Na"	20.974666
"1626388"	409.111566	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Na-2H"	20.974666
"96355"	405.117963	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M-H+Cl"	33.962126
"535914"	599.186413	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M-H+Cl"	33.962126
"927970"	211.049513	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-H+Cl"	33.962126
"274551"	811.243202	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+Cl"	34.969402
"664786"	1199.380102	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+Cl"	34.969402
"1276457"	423.106302	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Cl"	34.969402
"21933"	813.222406	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M-2H+K"	36.948606
"466600"	1201.359306	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M-2H+K"	36.948606
"846965"	425.085506	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-2H+K"	36.948606
"1570573"	425.085506	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+K-2H"	36.948606
"958365"	433.135094	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-H+HCOOH"	44.998194
"375451"	821.272001	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+HCOOH-H"	44.998201
"357148"	835.287651	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+Hac-H"	59.013851
"1503792"	447.150751	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Hac-H"	59.013851
"964771"	455.117051	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-H+NaCOOH"	66.980151
"119144"	423.106302	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+2Cl"	69.938804
"555426"	617.174752	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+2Cl"	69.938804
"1027505"	229.037852	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2Cl"	69.938804
"1248176"	467.055785	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Br"	78.918885
"1309530"	469.111772	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Cl+HCOOH"	80.974872
"1324841"	491.093729	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Cl+NaCOOH"	102.956829
"912741"	501.122486	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M-H+CF3COOH"	112.985586
"1289934"	537.099164	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Cl+CF3COOH"	148.962264
"1376242"	353.124224	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H-2H2O"	-35.012676
"1389363"	371.1342	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H-H2O"	-17.0027
"292333"	777.281076	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+H"	1.007276
"681840"	1165.417976	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+H"	1.007276
"1356730"	389.144176	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H"	1.007276
"128159"	389.144176	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+2H"	2.014552
"571370"	583.212626	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+2H"	2.014552
"1044543"	195.075726	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2H"	2.014552
"209164"	259.765209333333	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+3H"	3.021828
"647996"	389.144176	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+3H"	3.021828
"1169037"	130.386242666667	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+3H"	3.021828
"429026"	794.307623	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+NH4"	18.033823
"788565"	1182.444523	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+NH4"	18.033823
"1685627"	406.170723	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+NH4"	18.033823
"330990"	397.6574495	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+H+NH4"	19.041099
"725600"	591.7258995	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+H+NH4"	19.041099
"1479419"	203.5889995	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H+NH4"	19.041099
"395911"	799.263018	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+Na"	22.989218
"757273"	1187.399918	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+Na"	22.989218
"1603910"	411.126118	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Na"	22.989218
"315040"	400.135147	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+H+Na"	23.996494
"707298"	594.203597	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+H+Na"	23.996494
"1461355"	206.066697	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H+Na"	23.996494
"1052897"	137.713556666667	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2H+Na"	25.00377
"1257134"	421.170386	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+CH3OH+H"	33.033486
"382807"	815.236958	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+K"	38.963158
"742709"	1203.373858	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+K"	38.963158
"1545129"	427.100058	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+K"	38.963158
"299141"	408.122117	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+H+K"	39.970434
"692170"	602.190567	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+H+K"	39.970434
"1447087"	214.053667	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H+K"	39.970434
"238969"	818.307626	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+ACN+H"	42.033826
"1214960"	430.170726	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+ACN+H"	42.033826
"1197383"	215.589001	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+ACN+2H"	43.041102
"191350"	821.24496	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+2Na-H"	44.97116
"642946"	1209.38186	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+2Na-H"	44.97116
"1144630"	433.10806	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2Na-H"	44.97116
"181359"	411.126118	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+2Na"	45.978436
"623107"	605.194568	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+2Na"	45.978436
"1122238"	217.057668	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2Na"	45.978436
"1404668"	145.040870666667	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H+2Na"	46.985712
"1437877"	435.149646	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H+HCOOH"	47.012746
"230851"	416.15914	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+3H2O+2H"	56.04448
"1512353"	449.20169	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+IsoProp+H"	61.06479
"409485"	419.113088	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+Na+K"	61.952376
"777412"	613.181538	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+Na+K"	61.952376
"1667183"	225.044638	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Na+K"	61.952376
"252607"	840.289568	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+ACN+Na"	64.015768
"1228962"	452.152668	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+ACN+Na"	64.015768
"1713715"	452.176193	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+NH4+HCOOH"	64.039293
"1179556"	152.368184666667	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+3Na"	68.967654
"1650537"	457.131588	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Na+HCOOH"	68.994688
"157643"	853.19284	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+2K-H"	76.91904
"604627"	1241.32974	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+2K-H"	76.91904
"1098866"	465.05594	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2K-H"	76.91904
"152518"	427.100058	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"2M+2K"	77.926316
"596712"	621.168508	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"3M+2K"	77.926316
"1083899"	233.031608	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2K"	77.926316
"1115284"	467.070492	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2K+H"	78.933592
"1351060"	467.158107	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+DMSO+H"	79.021207
"1021276"	471.197276	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2ACN+H"	83.060376
"1539790"	472.190908	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+IsoProp+Na+H"	84.054008
"1005126"	236.102276	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+2ACN+2H"	84.067652
"1602304"	473.105528	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+K+HCOOH"	84.968628
"1428204"	503.137038	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+H+CF3COOH"	115.000138
"1161774"	256.615551	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+3ACN+2H"	125.094202
"1708041"	520.163585	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+NH4+CF3COOH"	132.026685
"1641504"	525.11898	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+Na+CF3COOH"	136.98208
"1581532"	541.09292	"C09781"	"Geniposide"	"C17H24O10"	"388.1369"	"M+K+CF3COOH"	152.95602
"803153"	356.1107	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M"	0
"976685"	337.09231	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-H2O-H"	-19.01839
"64930"	236.399857333333	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M-3H"	-3.021828
"512142"	355.103424	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M-3H"	-3.021828
"880104"	117.696290666667	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-3H"	-3.021828
"6332"	355.103424	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M-2H"	-2.014552
"443705"	533.158774	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M-2H"	-2.014552
"820413"	177.048074	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-2H"	-2.014552
"80403"	711.214124	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M-H"	-1.007276
"520446"	1067.324824	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M-H"	-1.007276
"899222"	355.103424	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-H"	-1.007276
"52506"	728.240671	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M-2H+NH4"	16.019271
"489875"	1084.351371	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M-2H+NH4"	16.019271
"866586"	372.129971	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-2H+NH4"	16.019271
"33031"	733.196066	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M-2H+Na"	20.974666
"474419"	1089.306766	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M-2H+Na"	20.974666
"858056"	377.085366	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-2H+Na"	20.974666
"1626498"	377.085366	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Na-2H"	20.974666
"94519"	373.091763	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M-H+Cl"	33.962126
"534521"	551.147113	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M-H+Cl"	33.962126
"927427"	195.036413	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-H+Cl"	33.962126
"272475"	747.190802	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+Cl"	34.969402
"662710"	1103.301502	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+Cl"	34.969402
"1276203"	391.080102	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Cl"	34.969402
"18764"	749.170006	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M-2H+K"	36.948606
"465981"	1105.280706	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M-2H+K"	36.948606
"848339"	393.059306	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-2H+K"	36.948606
"1570319"	393.059306	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+K-2H"	36.948606
"958209"	401.108894	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-H+HCOOH"	44.998194
"376171"	757.219601	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+HCOOH-H"	44.998201
"359810"	771.235251	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+Hac-H"	59.013851
"1503902"	415.124551	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Hac-H"	59.013851
"964882"	423.090851	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-H+NaCOOH"	66.980151
"115974"	391.080102	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+2Cl"	69.938804
"557723"	569.135452	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+2Cl"	69.938804
"1027615"	213.024752	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2Cl"	69.938804
"1250473"	435.029585	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Br"	78.918885
"1308547"	437.085572	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Cl+HCOOH"	80.974872
"1324951"	459.067529	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Cl+NaCOOH"	102.956829
"912730"	469.096286	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M-H+CF3COOH"	112.985586
"1289438"	505.072964	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Cl+CF3COOH"	148.962264
"1376352"	321.098024	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H-2H2O"	-35.012676
"1387286"	339.108	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H-H2O"	-17.0027
"292443"	713.228676	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+H"	1.007276
"681586"	1069.339376	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+H"	1.007276
"1355746"	357.117976	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H"	1.007276
"127905"	357.117976	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+2H"	2.014552
"570387"	535.173326	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+2H"	2.014552
"1044653"	179.062626	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2H"	2.014552
"212554"	238.414409333333	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+3H"	3.021828
"649929"	357.117976	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+3H"	3.021828
"1169147"	119.710842666667	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+3H"	3.021828
"426951"	730.255223	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+NH4"	18.033823
"789041"	1086.365923	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+NH4"	18.033823
"1681561"	374.144523	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+NH4"	18.033823
"332559"	365.6312495	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+H+NH4"	19.041099
"725346"	543.6865995	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+H+NH4"	19.041099
"1480258"	187.5758995	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H+NH4"	19.041099
"393835"	735.210618	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+Na"	22.989218
"758477"	1091.321318	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+Na"	22.989218
"1603657"	379.099918	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Na"	22.989218
"316612"	368.108947	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+H+Na"	23.996494
"707149"	546.164297	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+H+Na"	23.996494
"1461330"	190.053597	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H+Na"	23.996494
"1052782"	127.038156666667	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2H+Na"	25.00377
"1257328"	389.144186	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+CH3OH+H"	33.033486
"377447"	751.184558	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+K"	38.963158
"743912"	1107.295258	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+K"	38.963158
"1543782"	395.073858	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+K"	38.963158
"300586"	376.095917	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+H+K"	39.970434
"691913"	554.151267	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+H+K"	39.970434
"1447195"	198.040567	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H+K"	39.970434
"238714"	754.255226	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+ACN+H"	42.033826
"1212157"	398.144526	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+ACN+H"	42.033826
"1195306"	199.575901	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+ACN+2H"	43.041102
"191828"	757.19256	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+2Na-H"	44.97116
"639047"	1113.30326	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+2Na-H"	44.97116
"1141460"	401.08186	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2Na-H"	44.97116
"173450"	379.099918	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+2Na"	45.978436
"613739"	557.155268	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+2Na"	45.978436
"1116149"	201.044568	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2Na"	45.978436
"1400405"	134.365470666667	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H+2Na"	46.985712
"1430818"	403.123446	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H+HCOOH"	47.012746
"220756"	384.13294	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+3H2O+2H"	56.04448
"1509545"	417.17549	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+IsoProp+H"	61.06479
"408719"	387.086888	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+Na+K"	61.952376
"774241"	565.142238	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+Na+K"	61.952376
"1666564"	209.031538	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Na+K"	61.952376
"256000"	776.237168	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+ACN+Na"	64.015768
"1230896"	420.126468	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+ACN+Na"	64.015768
"1713580"	420.149993	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+NH4+HCOOH"	64.039293
"1179176"	141.692784666667	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+3Na"	68.967654
"1651136"	425.105388	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Na+HCOOH"	68.994688
"157754"	789.14044	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+2K-H"	76.91904
"597107"	1145.25114	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+2K-H"	76.91904
"1096905"	433.02974	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2K-H"	76.91904
"152630"	395.073858	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"2M+2K"	77.926316
"597020"	573.129208	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"3M+2K"	77.926316
"1084083"	217.018508	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2K"	77.926316
"1112099"	435.044292	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2K+H"	78.933592
"1351238"	435.131907	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+DMSO+H"	79.021207
"1020908"	439.171076	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2ACN+H"	83.060376
"1539277"	440.164708	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+IsoProp+Na+H"	84.054008
"1004751"	220.089176	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+2ACN+2H"	84.067652
"1600470"	441.079328	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+K+HCOOH"	84.968628
"1427951"	471.110838	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+H+CF3COOH"	115.000138
"1159697"	240.602451	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+3ACN+2H"	125.094202
"1708151"	488.137385	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+NH4+CF3COOH"	132.026685
"1637240"	493.09278	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+Na+CF3COOH"	136.98208
"1581642"	509.06672	"C09782"	"Gentiopicrin;Gentiopicroside"	"C16H20O9"	"356.1107"	"M+K+CF3COOH"	152.95602
"810919"	494.1788	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M"	0
"978984"	475.16041	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-H2O-H"	-19.01839
"65039"	328.445257333333	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M-3H"	-3.021828
"507879"	493.171524	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M-3H"	-3.021828
"884586"	163.718990666667	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-3H"	-3.021828
"4255"	493.171524	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M-2H"	-2.014552
"444908"	740.260924	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M-2H"	-2.014552
"820523"	246.082124	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-2H"	-2.014552
"85982"	987.350324	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M-H"	-1.007276
"520438"	1481.529124	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M-H"	-1.007276
"899698"	493.171524	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-H"	-1.007276
"49331"	1004.376871	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M-2H+NH4"	16.019271
"490351"	1498.555671	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M-2H+NH4"	16.019271
"866087"	510.198071	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-2H+NH4"	16.019271
"32166"	1009.332266	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M-2H+Na"	20.974666
"473071"	1503.511066	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M-2H+Na"	20.974666
"851238"	515.153466	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-2H+Na"	20.974666
"1619677"	515.153466	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Na-2H"	20.974666
"94912"	511.159863	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M-H+Cl"	33.962126
"535393"	758.249263	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M-H+Cl"	33.962126
"927104"	264.070463	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-H+Cl"	33.962126
"275865"	1023.327002	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+Cl"	34.969402
"666097"	1517.505802	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+Cl"	34.969402
"1274126"	529.148202	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Cl"	34.969402
"17780"	1025.306206	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M-2H+K"	36.948606
"466091"	1519.485006	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M-2H+K"	36.948606
"848213"	531.127406	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-2H+K"	36.948606
"1569576"	531.127406	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+K-2H"	36.948606
"956729"	539.176994	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-H+HCOOH"	44.998194
"373849"	1033.355801	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+HCOOH-H"	44.998201
"360289"	1047.371451	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+Hac-H"	59.013851
"1500734"	553.192651	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Hac-H"	59.013851
"966086"	561.158951	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-H+NaCOOH"	66.980151
"115357"	529.148202	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+2Cl"	69.938804
"554553"	776.237602	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+2Cl"	69.938804
"1024445"	282.058802	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2Cl"	69.938804
"1244022"	573.097685	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Br"	78.918885
"1306835"	575.153672	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Cl+HCOOH"	80.974872
"1321781"	597.135629	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Cl+NaCOOH"	102.956829
"913204"	607.164386	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M-H+CF3COOH"	112.985586
"1289911"	643.141064	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Cl+CF3COOH"	148.962264
"1373182"	459.166124	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H-2H2O"	-35.012676
"1392502"	477.1761	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H-H2O"	-17.0027
"289273"	989.364876	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+H"	1.007276
"679510"	1483.543676	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+H"	1.007276
"1354764"	495.186076	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H"	1.007276
"128019"	495.186076	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+2H"	2.014552
"573777"	742.275476	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+2H"	2.014552
"1041483"	248.096676	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2H"	2.014552
"209383"	330.459809333333	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+3H"	3.021828
"647120"	495.186076	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+3H"	3.021828
"1165246"	165.733542666667	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+3H"	3.021828
"426333"	1006.391423	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+NH4"	18.033823
"786601"	1500.570223	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+NH4"	18.033823
"1684755"	512.212623	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+NH4"	18.033823
"331212"	503.6993495	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+H+NH4"	19.041099
"727280"	750.7887495	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+H+NH4"	19.041099
"1478549"	256.6099495	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H+NH4"	19.041099
"393336"	1011.346818	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+Na"	22.989218
"754394"	1505.525618	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+Na"	22.989218
"1603280"	517.168018	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Na"	22.989218
"316724"	506.177047	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+H+Na"	23.996494
"707272"	753.266447	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+H+Na"	23.996494
"1461340"	259.087647	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H+Na"	23.996494
"1055482"	173.060856666667	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2H+Na"	25.00377
"1257400"	527.212286	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+CH3OH+H"	33.033486
"383026"	1027.320758	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+K"	38.963158
"741840"	1521.499558	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+K"	38.963158
"1542070"	533.141958	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+K"	38.963158
"302160"	514.164017	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+H+K"	39.970434
"693853"	761.253417	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+H+K"	39.970434
"1448765"	267.074617	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H+K"	39.970434
"236636"	1030.391426	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+ACN+H"	42.033826
"1211899"	536.212626	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+ACN+H"	42.033826
"1195413"	268.609951	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+ACN+2H"	43.041102
"189053"	1033.32876	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+2Na-H"	44.97116
"639157"	1527.50756	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+2Na-H"	44.97116
"1143392"	539.14996	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2Na-H"	44.97116
"174649"	517.168018	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+2Na"	45.978436
"613601"	764.257418	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+2Na"	45.978436
"1118084"	270.078618	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2Na"	45.978436
"1399296"	180.388170666667	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H+2Na"	46.985712
"1430802"	541.191546	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H+HCOOH"	47.012746
"221102"	522.20104	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+3H2O+2H"	56.04448
"1509409"	555.24359	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+IsoProp+H"	61.06479
"412990"	525.154988	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+Na+K"	61.952376
"773259"	772.244388	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+Na+K"	61.952376
"1666674"	278.065588	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Na+K"	61.952376
"251481"	1052.373368	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+ACN+Na"	64.015768
"1229912"	558.194568	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+ACN+Na"	64.015768
"1712777"	558.218093	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+NH4+HCOOH"	64.039293
"1178637"	187.715484666667	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+3Na"	68.967654
"1650519"	563.173488	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Na+HCOOH"	68.994688
"157216"	1065.27664	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+2K-H"	76.91904
"603754"	1559.45544	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+2K-H"	76.91904
"1095923"	571.09784	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2K-H"	76.91904
"153831"	533.141958	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"2M+2K"	77.926316
"595460"	780.231358	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"3M+2K"	77.926316
"1077906"	286.052558	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2K"	77.926316
"1113304"	573.112392	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2K+H"	78.933592
"1350056"	573.200007	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+DMSO+H"	79.021207
"1017124"	577.239176	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2ACN+H"	83.060376
"1539020"	578.232808	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+IsoProp+Na+H"	84.054008
"1002791"	289.123226	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+2ACN+2H"	84.067652
"1596200"	579.147428	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+K+HCOOH"	84.968628
"1426235"	609.178938	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+H+CF3COOH"	115.000138
"1158713"	309.636501	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+3ACN+2H"	125.094202
"1703886"	626.205485	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+NH4+CF3COOH"	132.026685
"1639539"	631.16088	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+Na+CF3COOH"	136.98208
"1581753"	647.13482	"C09783"	"Harpagoside"	"C24H30O11"	"494.1788"	"M+K+CF3COOH"	152.95602
"811029"	406.1475	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M"	0
"975935"	387.12911	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-H2O-H"	-19.01839
"66242"	269.757724	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M-3H"	-3.021828
"510175"	405.140224	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M-3H"	-3.021828
"890163"	134.375224	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-3H"	-3.021828
"7644"	405.140224	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M-2H"	-2.014552
"451579"	608.213974	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M-2H"	-2.014552
"830474"	202.066474	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-2H"	-2.014552
"88279"	811.287724	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M-H"	-1.007276
"523829"	1217.435224	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M-H"	-1.007276
"903455"	405.140224	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-H"	-1.007276
"54550"	828.314271	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M-2H+NH4"	16.019271
"489371"	1234.461771	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M-2H+NH4"	16.019271
"868266"	422.166771	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-2H+NH4"	16.019271
"34344"	833.269666	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M-2H+Na"	20.974666
"473541"	1239.417166	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M-2H+Na"	20.974666
"849886"	427.122166	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-2H+Na"	20.974666
"1622342"	427.122166	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Na-2H"	20.974666
"96686"	423.128563	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M-H+Cl"	33.962126
"535269"	626.202313	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M-H+Cl"	33.962126
"929761"	220.054813	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-H+Cl"	33.962126
"273788"	847.264402	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+Cl"	34.969402
"665114"	1253.411902	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+Cl"	34.969402
"1273869"	441.116902	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Cl"	34.969402
"15752"	849.243606	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M-2H+K"	36.948606
"466201"	1255.391106	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M-2H+K"	36.948606
"847792"	443.096106	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-2H+K"	36.948606
"1569204"	443.096106	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+K-2H"	36.948606
"956233"	451.145694	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-H+HCOOH"	44.998194
"373230"	857.293201	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+HCOOH-H"	44.998201
"358943"	871.308851	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+Hac-H"	59.013851
"1503760"	465.161351	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Hac-H"	59.013851
"967289"	473.127651	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-H+NaCOOH"	66.980151
"116196"	441.116902	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+2Cl"	69.938804
"553934"	644.190652	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+2Cl"	69.938804
"1024554"	238.043152	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2Cl"	69.938804
"1246319"	485.066385	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Br"	78.918885
"1305487"	487.122372	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Cl+HCOOH"	80.974872
"1322983"	509.104329	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Cl+NaCOOH"	102.956829
"914043"	519.133086	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M-H+CF3COOH"	112.985586
"1290749"	555.109764	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Cl+CF3COOH"	148.962264
"1373292"	371.134824	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H-2H2O"	-35.012676
"1389696"	389.1448	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H-H2O"	-17.0027
"291570"	813.302276	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+H"	1.007276
"681807"	1219.449776	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+H"	1.007276
"1354509"	407.154776	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H"	1.007276
"128858"	407.154776	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+2H"	2.014552
"573887"	610.228526	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+2H"	2.014552
"1044873"	204.081026	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2H"	2.014552
"209493"	271.772276	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+3H"	3.021828
"653428"	407.154776	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+3H"	3.021828
"1169367"	136.389776	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+3H"	3.021828
"427172"	830.328823	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+NH4"	18.033823
"788170"	1236.476323	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+NH4"	18.033823
"1682434"	424.181323	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+NH4"	18.033823
"331196"	415.6680495	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+H+NH4"	19.041099
"729577"	618.7417995	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+H+NH4"	19.041099
"1484491"	212.5942995	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H+NH4"	19.041099
"395515"	835.284218	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+Na"	22.989218
"755535"	1241.431718	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+Na"	22.989218
"1605216"	429.136718	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Na"	22.989218
"316834"	418.145747	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+H+Na"	23.996494
"707585"	621.219497	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+H+Na"	23.996494
"1461646"	215.071997	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H+Na"	23.996494
"1053278"	143.71709	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2H+Na"	25.00377
"1258725"	439.180986	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+CH3OH+H"	33.033486
"382043"	851.258158	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+K"	38.963158
"743043"	1257.405658	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+K"	38.963158
"1542905"	445.110658	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+K"	38.963158
"301900"	426.132717	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+H+K"	39.970434
"693963"	629.206467	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+H+K"	39.970434
"1447169"	223.058967	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H+K"	39.970434
"236251"	854.328826	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+ACN+H"	42.033826
"1211025"	448.181326	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+ACN+H"	42.033826
"1195888"	224.594301	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+ACN+2H"	43.041102
"189605"	857.26616	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+2Na-H"	44.97116
"630500"	1263.41366	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+2Na-H"	44.97116
"1134015"	451.11866	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2Na-H"	44.97116
"174758"	429.136718	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+2Na"	45.978436
"613707"	632.210468	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+2Na"	45.978436
"1116973"	226.062968	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2Na"	45.978436
"1399770"	151.044404	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H+2Na"	46.985712
"1431638"	453.160246	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H+HCOOH"	47.012746
"221455"	434.16974	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+3H2O+2H"	56.04448
"1508831"	467.21229	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+IsoProp+H"	61.06479
"413100"	437.123688	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+Na+K"	61.952376
"773003"	640.197438	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+Na+K"	61.952376
"1666417"	234.049938	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Na+K"	61.952376
"251997"	876.310768	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+ACN+Na"	64.015768
"1228562"	470.163268	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+ACN+Na"	64.015768
"1714291"	470.186793	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+NH4+HCOOH"	64.039293
"1179517"	158.371718	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+3Na"	68.967654
"1650581"	475.142188	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Na+HCOOH"	68.994688
"157565"	889.21404	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+2K-H"	76.91904
"602405"	1295.36154	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+2K-H"	76.91904
"1089471"	483.06654	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2K-H"	76.91904
"148473"	445.110658	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"2M+2K"	77.926316
"591315"	648.184408	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"3M+2K"	77.926316
"1079109"	242.036908	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2K"	77.926316
"1113413"	485.081092	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2K+H"	78.933592
"1347612"	485.168707	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+DMSO+H"	79.021207
"1015047"	489.207876	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2ACN+H"	83.060376
"1534266"	490.201508	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+IsoProp+Na+H"	84.054008
"1001808"	245.107576	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+2ACN+2H"	84.067652
"1602267"	491.116128	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+K+HCOOH"	84.968628
"1428532"	521.147638	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+H+CF3COOH"	115.000138
"1159916"	265.620851	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+3ACN+2H"	125.094202
"1706184"	538.174185	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+NH4+CF3COOH"	132.026685
"1644024"	543.12958	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+Na+CF3COOH"	136.98208
"1581863"	559.10352	"C09784"	"Ipolamiide"	"C17H26O11"	"406.1475"	"M+K+CF3COOH"	152.95602
"816607"	168.115	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M"	0
"979205"	149.09661	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"68538"	111.069390666667	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"513565"	167.107724	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"886995"	55.0310573333333	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"5569"	167.107724	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"447315"	251.165224	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"822929"	83.050224	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"84015"	335.222724	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"522482"	503.337724	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"902473"	167.107724	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"57942"	352.249271	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"496408"	520.364271	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"869106"	184.134271	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"38833"	357.204666	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"475113"	525.319666	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"852551"	189.089666	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1622086"	189.089666	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"96796"	185.096063	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"535990"	269.153563	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"930965"	101.038563	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"274990"	371.199402	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"665225"	539.314402	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1275441"	203.084402	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"15932"	373.178606	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"466311"	541.293606	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"847295"	205.063606	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1569800"	205.063606	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"956218"	213.113194	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"376140"	381.228201	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"359416"	395.243851	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1504234"	227.128851	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"968492"	235.095151	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"117400"	203.084402	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"555867"	287.141902	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1027944"	119.026902	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1248616"	247.033885	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1308878"	249.089872	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1325282"	271.071829	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"919620"	281.100586	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1295233"	317.077264	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1371215"	133.102324	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1387618"	151.1123	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"291681"	337.237276	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"681918"	505.352276	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1357539"	169.122276	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H"	1.007276
"128968"	169.122276	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"575092"	253.179776	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1040242"	85.064776	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"212884"	113.083942666667	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"653538"	169.122276	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1172757"	57.0456093333333	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"425582"	354.263823	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"790467"	522.378823	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1681813"	186.148823	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"333984"	177.6355495	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"729687"	261.6930495	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1487881"	93.5780495	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"394532"	359.219218	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"754917"	527.334218	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1603869"	191.104218	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"316944"	180.113247	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"710459"	264.170747	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1462208"	96.055747	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1055338"	64.3729233333333	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1258836"	201.148486	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"383249"	375.193158	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"744245"	543.308158	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1541924"	207.078158	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+K"	38.963158
"301286"	188.100217	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"692977"	272.157717	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1446794"	104.042717	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"236243"	378.263826	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1210774"	210.148826	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1194903"	105.578051	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"189715"	381.20116	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"632066"	549.31616	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1132669"	213.08616	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"175239"	191.104218	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"615524"	275.161718	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1119396"	107.046718	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1399637"	71.7002373333333	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1431028"	215.127746	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"221451"	196.13724	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1509511"	229.17979	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"412846"	199.091188	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"777854"	283.148688	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1673091"	115.033688	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"257424"	400.245768	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1231226"	232.130768	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1713712"	232.154293	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1179512"	79.0275513333333	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1651346"	237.109688	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"158330"	413.14904	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"602877"	581.26404	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1089581"	245.03404	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"147490"	207.078158	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"591425"	291.135658	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1077032"	123.020658	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1113523"	247.048592	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1349907"	247.136207	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1016251"	251.175376	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1533280"	252.169008	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1001919"	126.091326	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1598611"	253.083628	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1428280"	283.115138	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1157837"	146.604601	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1709575"	300.141685	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1644136"	305.09708	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1581973"	321.07102	"C09785"	"()-Iridodial"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"812342"	168.115	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M"	0
"981502"	149.09661	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"65366"	111.069390666667	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"508208"	167.107724	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"883824"	55.0310573333333	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"2398"	167.107724	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"447425"	251.165224	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"819759"	83.050224	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"84125"	335.222724	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"522592"	503.337724	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"901488"	167.107724	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"48207"	352.249271	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"488495"	520.364271	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"867391"	184.134271	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"37846"	357.204666	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"477407"	525.319666	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"849378"	189.089666	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1620371"	189.089666	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"97264"	185.096063	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"535493"	269.153563	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"927748"	101.038563	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"269265"	371.199402	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"662054"	539.314402	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1274455"	203.084402	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"16285"	373.178606	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"456044"	541.293606	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"847888"	205.063606	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1571263"	205.063606	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"957787"	213.113194	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"376732"	381.228201	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"360254"	395.243851	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1504344"	227.128851	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"965322"	235.095151	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"117509"	203.084402	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"559257"	287.141902	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1028056"	119.026902	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1252007"	247.033885	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1310082"	249.089872	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1325392"	271.071829	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"919730"	281.100586	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1295709"	317.077264	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1373512"	133.102324	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1386634"	151.1123	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"292883"	337.237276	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"683849"	505.352276	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1355458"	169.122276	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H"	1.007276
"129442"	169.122276	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"575566"	253.179776	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1045088"	85.064776	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"212994"	113.083942666667	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"652555"	169.122276	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1172867"	57.0456093333333	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"428487"	354.263823	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"790577"	522.378823	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1681327"	186.148823	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"333001"	177.6355495	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"729797"	261.6930495	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1487991"	93.5780495	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"397922"	359.219218	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"756731"	527.334218	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1604101"	191.104218	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"317054"	180.113247	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"710569"	264.170747	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1462564"	96.055747	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1055448"	64.3729233333333	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1258585"	201.148486	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"383359"	375.193158	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"742533"	543.308158	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1540938"	207.078158	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+K"	38.963158
"300303"	188.100217	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"692721"	272.157717	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1446091"	104.042717	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"235825"	378.263826	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1210679"	210.148826	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1194888"	105.578051	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"189703"	381.20116	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"631448"	549.31616	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1132530"	213.08616	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"175713"	191.104218	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"612960"	275.161718	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1116100"	107.046718	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1403029"	71.7002373333333	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1434053"	215.127746	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"220345"	196.13724	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1509623"	229.17979	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"409796"	199.091188	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"779056"	283.148688	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1673202"	115.033688	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"256441"	400.245768	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1232430"	232.130768	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1713782"	232.154293	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1181205"	79.0275513333333	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1651458"	237.109688	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"159415"	413.14904	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"602987"	581.26404	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1087503"	245.03404	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"147599"	207.078158	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"590442"	291.135658	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1076049"	123.020658	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1111446"	247.048592	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1347830"	247.136207	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1017455"	251.175376	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1533390"	252.169008	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1002029"	126.091326	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1599814"	253.083628	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1426567"	283.115138	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1159041"	146.604601	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1709685"	300.141685	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1644246"	305.09708	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1582083"	321.07102	"C09786"	"Iridomyrmecin"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"808080"	290.079	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M"	0
"980519"	271.06061	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"63164"	192.378724	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"504311"	289.071724	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"881381"	95.685724	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"1414"	289.071724	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"442431"	434.111224	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"825336"	144.032224	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"84236"	579.150724	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"525983"	869.229724	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"899046"	289.071724	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"49776"	596.177271	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"488605"	886.256271	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"867864"	306.098271	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"35037"	601.132666	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"476056"	891.211666	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"850583"	311.053666	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1619752"	311.053666	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"97375"	307.060063	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"539855"	452.099563	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"927897"	162.020563	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"268768"	615.127402	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"661070"	905.206402	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1272985"	325.048402	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"17248"	617.106606	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"457778"	907.185606	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"848293"	327.027606	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1571159"	327.027606	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"956805"	335.077194	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"375748"	625.156201	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"359999"	639.171851	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1500081"	349.092851	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"965431"	357.059151	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"115432"	325.048402	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"556087"	470.087902	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1024885"	180.008902	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1244462"	368.997885	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1311285"	371.053872	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1325500"	393.035829	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"917652"	403.064586	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1292173"	439.041264	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1372530"	255.066324	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1385652"	273.0763	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"284606"	581.165276	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"677761"	871.244276	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1353015"	291.086276	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"128458"	291.086276	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"567653"	436.125776	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1039004"	146.046776	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"207635"	194.393276	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"650478"	291.086276	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1172977"	97.700276	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"428597"	598.191823	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"788498"	888.270823	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1689937"	308.112823	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"330924"	299.5995495	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"733188"	444.6390495	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1481542"	154.5600495	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"398034"	603.147218	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"754313"	893.226218	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1608222"	313.068218	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"321539"	302.077247	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"712868"	447.116747	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1465959"	157.037747	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1056653"	105.02759	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1257063"	323.112486	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"380188"	619.121158	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"738997"	909.200158	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1539900"	329.042158	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"298637"	310.064217	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"691427"	455.103717	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1445712"	165.024717	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"235754"	622.191826	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1210505"	332.112826	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1195482"	166.560051	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"188650"	625.12916	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"630828"	915.20816	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1132877"	335.05016	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"177643"	313.068218	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"618298"	458.107718	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1118522"	168.028718	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1402046"	112.354904	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1430392"	337.091746	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"222764"	318.10124	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1512284"	351.14379	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"408808"	321.055188	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"771266"	466.094688	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1668936"	176.015688	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"254728"	644.173768	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1235820"	354.094768	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1714136"	354.118293	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1179853"	119.682218	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1651934"	359.073688	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"159525"	657.07704	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"602368"	947.15604	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1088710"	366.99804	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"146619"	329.042158	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"590555"	474.081658	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1078347"	184.002658	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1110463"	369.012592	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1345754"	369.100207	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1018659"	373.139376	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1539217"	374.133008	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"1003233"	187.073326	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1594455"	375.047628	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1420116"	405.079138	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1153684"	207.586601	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1703234"	422.105685	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1644356"	427.06108	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1582193"	443.03502	"C09787"	"Isoplumericin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"811467"	390.1162	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M"	0
"977349"	371.09781	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-H2O-H"	-19.01839
"71058"	259.070190666667	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M-3H"	-3.021828
"504056"	389.108924	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M-3H"	-3.021828
"882950"	129.031457333333	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-3H"	-3.021828
"2617"	389.108924	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M-2H"	-2.014552
"441448"	584.167024	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M-2H"	-2.014552
"824354"	194.050824	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-2H"	-2.014552
"83253"	779.225124	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M-H"	-1.007276
"526093"	1169.341324	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M-H"	-1.007276
"902802"	389.108924	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-H"	-1.007276
"50980"	796.251671	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M-2H+NH4"	16.019271
"490905"	1186.367871	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M-2H+NH4"	16.019271
"869797"	406.135471	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-2H+NH4"	16.019271
"34419"	801.207066	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M-2H+Na"	20.974666
"473615"	1191.323266	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M-2H+Na"	20.974666
"852153"	411.090866	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-2H+Na"	20.974666
"1619861"	411.090866	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Na-2H"	20.974666
"95298"	407.097263	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M-H+Cl"	33.962126
"534489"	602.155363	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M-H+Cl"	33.962126
"927643"	212.039163	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-H+Cl"	33.962126
"268027"	815.201802	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+Cl"	34.969402
"660157"	1205.318002	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+Cl"	34.969402
"1274067"	425.085602	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Cl"	34.969402
"15849"	817.181006	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M-2H+K"	36.948606
"456916"	1207.297206	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M-2H+K"	36.948606
"847730"	427.064806	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-2H+K"	36.948606
"1570534"	427.064806	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+K-2H"	36.948606
"957931"	435.114394	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-H+HCOOH"	44.998194
"376512"	825.230601	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+HCOOH-H"	44.998201
"360104"	839.246251	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+Hac-H"	59.013851
"1502376"	449.130051	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Hac-H"	59.013851
"966635"	457.096351	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-H+NaCOOH"	66.980151
"115541"	425.085602	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+2Cl"	69.938804
"552915"	620.143702	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+2Cl"	69.938804
"1027182"	230.027502	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2Cl"	69.938804
"1253320"	469.035085	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Br"	78.918885
"1313581"	471.091072	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Cl+HCOOH"	80.974872
"1325610"	493.073029	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Cl+NaCOOH"	102.956829
"923958"	503.101786	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M-H+CF3COOH"	112.985586
"1296658"	539.078464	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Cl+CF3COOH"	148.962264
"1377004"	355.103524	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H-2H2O"	-35.012676
"1384668"	373.1135	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H-H2O"	-17.0027
"284718"	781.239676	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+H"	1.007276
"680058"	1171.355876	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+H"	1.007276
"1354220"	391.123476	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H"	1.007276
"131485"	391.123476	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+2H"	2.014552
"569951"	586.181576	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+2H"	2.014552
"1039844"	196.065376	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2H"	2.014552
"206163"	261.084742666667	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+3H"	3.021828
"648397"	391.123476	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+3H"	3.021828
"1167619"	131.046009333333	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+3H"	3.021828
"428705"	798.266223	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+NH4"	18.033823
"789702"	1188.382423	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+NH4"	18.033823
"1683850"	408.150023	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+NH4"	18.033823
"330587"	399.6367495	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+H+NH4"	19.041099
"736217"	594.6948495	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+H+NH4"	19.041099
"1488213"	204.5786495	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H+NH4"	19.041099
"404340"	803.221618	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+Na"	22.989218
"760232"	1193.337818	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+Na"	22.989218
"1614894"	413.105418	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Na"	22.989218
"322745"	402.114447	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+H+Na"	23.996494
"714072"	597.172547	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+H+Na"	23.996494
"1467893"	207.056347	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H+Na"	23.996494
"1057856"	138.373323333333	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2H+Na"	25.00377
"1260627"	423.149686	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+CH3OH+H"	33.033486
"380298"	819.195558	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+K"	38.963158
"739107"	1209.311758	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+K"	38.963158
"1540307"	429.079358	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+K"	38.963158
"300887"	410.101417	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+H+K"	39.970434
"691419"	605.159517	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+H+K"	39.970434
"1445776"	215.043317	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H+K"	39.970434
"237553"	822.266226	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+ACN+H"	42.033826
"1210012"	432.150026	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+ACN+H"	42.033826
"1194864"	216.578651	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+ACN+2H"	43.041102
"189562"	825.20356	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+2Na-H"	44.97116
"630576"	1215.31976	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+2Na-H"	44.97116
"1133349"	435.08736	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2Na-H"	44.97116
"183221"	413.105418	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+2Na"	45.978436
"621688"	608.163518	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+2Na"	45.978436
"1116447"	218.047318	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2Na"	45.978436
"1401063"	145.700637333333	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H+2Na"	46.985712
"1430219"	437.128946	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H+HCOOH"	47.012746
"225061"	418.13844	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+3H2O+2H"	56.04448
"1508747"	451.18099	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+IsoProp+H"	61.06479
"408837"	421.092388	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+Na+K"	61.952376
"773807"	616.150488	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+Na+K"	61.952376
"1666859"	226.034288	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Na+K"	61.952376
"255568"	844.248168	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+ACN+Na"	64.015768
"1227182"	454.131968	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+ACN+Na"	64.015768
"1714612"	454.155493	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+NH4+HCOOH"	64.039293
"1180694"	153.027951333333	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+3Na"	68.967654
"1654596"	459.110888	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Na+HCOOH"	68.994688
"159269"	857.15144	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+2K-H"	76.91904
"601021"	1247.26764	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+2K-H"	76.91904
"1091007"	467.03524	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2K-H"	76.91904
"148915"	429.079358	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"2M+2K"	77.926316
"590665"	624.137458	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"3M+2K"	77.926316
"1079550"	234.021258	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2K"	77.926316
"1111666"	469.049792	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2K+H"	78.933592
"1345864"	469.137407	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+DMSO+H"	79.021207
"1020229"	473.176576	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2ACN+H"	83.060376
"1539571"	474.170208	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+IsoProp+Na+H"	84.054008
"1003345"	237.091926	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+2ACN+2H"	84.067652
"1597846"	475.084828	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+K+HCOOH"	84.968628
"1422412"	505.116338	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+H+CF3COOH"	115.000138
"1158167"	257.605201	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+3ACN+2H"	125.094202
"1706624"	522.142885	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+NH4+CF3COOH"	132.026685
"1644466"	527.09828	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+Na+CF3COOH"	136.98208
"1582303"	543.07222	"C09788"	"Monotropein"	"C16H22O11"	"390.1162"	"M+K+CF3COOH"	152.95602
"806115"	580.1792	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M"	0
"979649"	561.16081	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-H2O-H"	-19.01839
"65704"	385.778857333333	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M-3H"	-3.021828
"507450"	579.171924	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M-3H"	-3.021828
"881971"	192.385790666667	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-3H"	-3.021828
"2733"	579.171924	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M-2H"	-2.014552
"442292"	869.261524	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M-2H"	-2.014552
"820093"	289.082324	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-2H"	-2.014552
"81543"	1159.351124	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M-H"	-1.007276
"522923"	1739.530324	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M-H"	-1.007276
"904006"	579.171924	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-H"	-1.007276
"52912"	1176.377671	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M-2H+NH4"	16.019271
"492472"	1756.556871	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M-2H+NH4"	16.019271
"868817"	596.198471	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-2H+NH4"	16.019271
"34903"	1181.333066	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M-2H+Na"	20.974666
"473736"	1761.512266	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M-2H+Na"	20.974666
"849467"	601.153866	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-2H+Na"	20.974666
"1619124"	601.153866	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Na-2H"	20.974666
"103798"	597.160263	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M-H+Cl"	33.962126
"542265"	887.249863	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M-H+Cl"	33.962126
"930313"	307.070663	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-H+Cl"	33.962126
"268867"	1195.327802	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+Cl"	34.969402
"663483"	1775.507002	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+Cl"	34.969402
"1275156"	615.148602	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Cl"	34.969402
"28288"	1197.307006	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M-2H+K"	36.948606
"470774"	1777.486206	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M-2H+K"	36.948606
"847965"	617.127806	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-2H+K"	36.948606
"1570845"	617.127806	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+K-2H"	36.948606
"957022"	625.177394	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-H+HCOOH"	44.998194
"375605"	1205.356601	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+HCOOH-H"	44.998201
"355840"	1219.372251	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+Hac-H"	59.013851
"1500297"	639.193051	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Hac-H"	59.013851
"965651"	647.159351	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-H+NaCOOH"	66.980151
"117839"	615.148602	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+2Cl"	69.938804
"559586"	905.238202	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+2Cl"	69.938804
"1031665"	325.059002	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2Cl"	69.938804
"1251244"	659.098085	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Br"	78.918885
"1319161"	661.154072	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Cl+HCOOH"	80.974872
"1327908"	683.136029	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Cl+NaCOOH"	102.956829
"922252"	693.164786	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M-H+CF3COOH"	112.985586
"1301882"	729.141464	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Cl+CF3COOH"	148.962264
"1373847"	545.166524	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H-2H2O"	-35.012676
"1386972"	563.1765	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H-H2O"	-17.0027
"291031"	1161.365676	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+H"	1.007276
"681266"	1741.544876	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+H"	1.007276
"1362719"	581.186476	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H"	1.007276
"137431"	581.186476	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+2H"	2.014552
"572249"	871.276076	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+2H"	2.014552
"1046520"	291.096876	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2H"	2.014552
"211141"	387.793409333333	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+3H"	3.021828
"648514"	581.186476	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+3H"	3.021828
"1169923"	194.400342666667	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+3H"	3.021828
"432103"	1178.392223	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+NH4"	18.033823
"796379"	1758.571423	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+NH4"	18.033823
"1693803"	598.213023	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+NH4"	18.033823
"343175"	589.6997495	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+H+NH4"	19.041099
"737665"	879.7893495	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+H+NH4"	19.041099
"1491603"	299.6101495	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H+NH4"	19.041099
"404816"	1183.347618	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+Na"	22.989218
"763626"	1763.526818	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+Na"	22.989218
"1609538"	603.168418	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Na"	22.989218
"323949"	592.177447	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+H+Na"	23.996494
"714184"	882.267047	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+H+Na"	23.996494
"1465452"	302.087847	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H+Na"	23.996494
"1053472"	201.727656666667	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2H+Na"	25.00377
"1260379"	613.212686	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+CH3OH+H"	33.033486
"378101"	1199.321558	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+K"	38.963158
"739704"	1779.500758	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+K"	38.963158
"1542002"	619.142358	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+K"	38.963158
"299540"	600.164417	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+H+K"	39.970434
"693423"	890.254017	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+H+K"	39.970434
"1447970"	310.074817	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H+K"	39.970434
"238758"	1202.392226	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+ACN+H"	42.033826
"1212195"	622.213026	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+ACN+H"	42.033826
"1198632"	311.610151	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+ACN+2H"	43.041102
"193691"	1205.32956	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+2Na-H"	44.97116
"632162"	1785.50876	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+2Na-H"	44.97116
"1136762"	625.15036	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2Na-H"	44.97116
"173244"	603.168418	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+2Na"	45.978436
"613292"	893.258018	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+2Na"	45.978436
"1115727"	313.078818	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2Na"	45.978436
"1399228"	209.054970666667	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H+2Na"	46.985712
"1431102"	627.191946	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H+HCOOH"	47.012746
"220190"	608.20144	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+3H2O+2H"	56.04448
"1508458"	641.24399	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+IsoProp+H"	61.06479
"409642"	611.155388	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+Na+K"	61.952376
"775015"	901.244988	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+Na+K"	61.952376
"1673532"	321.065788	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Na+K"	61.952376
"255680"	1224.374168	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+ACN+Na"	64.015768
"1227297"	644.194968	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+ACN+Na"	64.015768
"1714723"	644.218493	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+NH4+HCOOH"	64.039293
"1181537"	216.382284666667	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+3Na"	68.967654
"1652524"	649.173888	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Na+HCOOH"	68.994688
"164854"	1237.27744	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+2K-H"	76.91904
"603323"	1817.45664	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+2K-H"	76.91904
"1091116"	657.09824	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2K-H"	76.91904
"149025"	619.142358	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"2M+2K"	77.926316
"587493"	909.231958	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"3M+2K"	77.926316
"1079660"	329.052758	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2K"	77.926316
"1110683"	659.112792	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2K+H"	78.933592
"1345972"	659.200407	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+DMSO+H"	79.021207
"1020945"	663.239576	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2ACN+H"	83.060376
"1539316"	664.233208	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+IsoProp+Na+H"	84.054008
"1004548"	332.123426	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+2ACN+2H"	84.067652
"1596861"	665.147828	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+K+HCOOH"	84.968628
"1424707"	695.179338	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+H+CF3COOH"	115.000138
"1153902"	352.636701	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+3ACN+2H"	125.094202
"1702359"	712.205885	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+NH4+CF3COOH"	132.026685
"1643483"	717.16128	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+Na+CF3COOH"	136.98208
"1582413"	733.13522	"C09789"	"Naringin;Naringenin 7-O-neohesperidoside;Naringenin 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O14"	"580.1792"	"M+K+CF3COOH"	152.95602
"803303"	170.1307	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M"	0
"976471"	151.11231	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"66908"	112.413190666667	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"507560"	169.123424	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"883174"	55.7029573333333	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"656"	169.123424	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"442399"	254.188774	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"818746"	84.058074	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"83472"	339.254124	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"523037"	509.384824	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"903023"	169.123424	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"54116"	356.280671	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"494770"	526.411371	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"870386"	186.149971	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"36106"	361.236066	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"474939"	531.366766	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"850310"	191.105366	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1621910"	191.105366	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"101721"	187.111763	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"542375"	272.177113	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"928599"	102.046413	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"269096"	375.230802	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"663593"	545.361502	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1275144"	205.100102	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"28034"	377.210006	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"471000"	547.340706	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"846858"	207.079306	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1564877"	207.079306	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"952757"	215.128894	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"374623"	385.259601	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"354127"	399.275251	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1500407"	229.144551	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"964667"	237.110851	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"117948"	205.100102	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"558602"	290.165452	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1028495"	120.034752	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1251354"	249.049585	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1315625"	251.105572	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1328017"	273.087529	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"921269"	283.116286	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1301628"	319.092964	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1376145"	135.118024	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1391452"	153.128	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"291141"	341.268676	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"683562"	511.399376	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1361006"	171.137976	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"137540"	171.137976	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"570172"	256.203326	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1042255"	86.072626	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"210158"	114.427742666667	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"650811"	171.137976	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1171128"	57.7175093333333	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"435495"	358.295223	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"799407"	528.425923	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1693913"	188.164523	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"342921"	179.6512495	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"733520"	264.7165995	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1490620"	94.5858995	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"398366"	363.250618	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"763735"	533.381318	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1609648"	193.119918	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"321872"	182.128947	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"714294"	267.194297	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1465929"	97.063597	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1055893"	65.0448233333333	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1258419"	203.164186	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"378457"	379.224558	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"740423"	549.355258	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1542477"	209.093858	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"301841"	190.115917	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"696448"	275.181267	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1453548"	105.050567	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"242150"	382.295226	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1213764"	212.164526	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1199835"	106.585901	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"193801"	385.23256	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"633366"	555.36326	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1140152"	215.10186	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"175789"	193.119918	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"614496"	278.185268	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1117760"	108.054568	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1405657"	72.3721373333333	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1432305"	217.143446	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"220422"	198.15294	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1509700"	231.19549	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"410476"	201.106888	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"771845"	286.172238	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1672549"	116.041538	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"253602"	404.277168	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1228498"	234.146468	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1716291"	234.169993	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1180554"	79.6994513333333	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1654820"	239.125388	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"166058"	417.18044	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"602339"	587.31114	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1091226"	247.04974	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"148042"	209.093858	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"589790"	294.159208	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1079771"	124.028508	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1113709"	249.064292	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1348999"	249.151907	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1018990"	253.191076	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1539060"	254.184708	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"1002472"	127.099176	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1593691"	255.099328	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1422633"	285.130838	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1160575"	147.612451	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1706845"	302.157385	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1643593"	307.11278	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1582523"	323.08672	"C09790"	"()-Neomatatabiol"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"804506"	166.0994	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M"	0
"980954"	147.08101	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"67016"	109.725657333333	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"508763"	165.092124	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"883284"	54.3591906666667	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"1130"	165.092124	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"443602"	248.141824	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"819222"	82.042424	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"81402"	331.191524	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"522416"	497.290924	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"904228"	165.092124	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"52041"	348.218071	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"493787"	514.317471	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"869404"	182.118671	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"37309"	353.173466	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"475778"	519.272866	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"850663"	187.074066	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1622020"	187.074066	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"98551"	183.080463	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"539205"	266.130163	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"929074"	100.030763	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"269087"	367.168202	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"673180"	533.267602	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1281573"	201.068802	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"28510"	369.147406	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"471324"	535.246806	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"848353"	203.048006	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1569363"	203.048006	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"955787"	211.097594	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"376192"	377.197001	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"357523"	391.212651	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1501614"	225.113251	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"968059"	233.079551	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"116966"	201.068802	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"558713"	284.118502	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1029699"	118.019102	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1251464"	245.018285	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1316099"	247.074272	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1330312"	269.056229	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"921379"	279.084986	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1303604"	315.061664	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1379901"	131.086724	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1397399"	149.0967	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"291250"	333.206076	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"689871"	499.305476	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1363669"	167.106676	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"137651"	167.106676	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"578304"	250.156376	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1041272"	84.056976	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"210268"	111.740209333333	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"652014"	167.106676	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1176707"	56.3737426666667	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"437796"	350.232623	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"798788"	516.332023	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1692935"	184.133223	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"341943"	175.6199495	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"733631"	258.6696495	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1491825"	92.5702495	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"405038"	355.188018	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"766033"	521.287418	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1617779"	189.088618	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"326358"	178.097647	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"715498"	261.147347	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1466039"	95.047947	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1058194"	63.7010566666667	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1259871"	199.132886	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"380632"	371.161958	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"743815"	537.261358	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1544775"	205.062558	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"303045"	186.084617	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"702024"	269.134317	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1451473"	103.034917	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"243353"	374.232626	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1212781"	208.133226	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1198851"	104.570251	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"196097"	377.16996	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"637845"	543.26936	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1136982"	211.07056	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"182459"	189.088618	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"616552"	272.138318	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1120058"	106.038918	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1403580"	71.0283706666667	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1434603"	213.112146	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"222112"	194.12164	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1512361"	227.16419	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"411683"	197.075588	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"777423"	280.125288	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1674847"	114.025888	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"254804"	396.214568	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1230793"	230.115168	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1715310"	230.138693	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1182850"	78.3556846666667	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1654930"	235.094088	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"166168"	409.11784	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"606822"	575.21724	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1093523"	243.01844	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"152528"	205.062558	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"593180"	288.112258	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1083771"	122.012858	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1114797"	245.032992	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1348259"	245.120607	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1020073"	249.159776	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1539049"	250.153408	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"1004404"	125.083526	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1597082"	251.068028	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1422743"	281.099538	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1158498"	145.596801	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1706955"	298.126085	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1643703"	303.08148	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1582633"	319.05542	"C09791"	"Nepetalactone cis-trans-form"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"806439"	166.0994	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M"	0
"975596"	147.08101	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"67489"	109.725657333333	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"506686"	165.092124	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"880477"	54.3591906666667	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"18"	165.092124	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"441524"	248.141824	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"817265"	82.042424	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"80783"	331.191524	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"520339"	497.290924	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"901056"	165.092124	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"48872"	348.218071	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"492805"	514.317471	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"868419"	182.118671	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"33770"	353.173466	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"475158"	519.272866	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"852230"	187.074066	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1622130"	187.074066	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"100847"	183.080463	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"539315"	266.130163	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"928818"	100.030763	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"267738"	367.168202	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"670374"	533.267602	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1280590"	201.068802	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"28617"	369.147406	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"470938"	535.246806	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"848472"	203.048006	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1571300"	203.048006	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"958353"	211.097594	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"376956"	377.197001	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"361203"	391.212651	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1502818"	225.113251	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"964891"	233.079551	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"119266"	201.068802	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"557731"	284.118502	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1030903"	118.019102	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1253761"	245.018285	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1317668"	247.074272	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1327142"	269.056229	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"919302"	279.084986	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1303881"	315.061664	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1381474"	131.086724	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1393864"	149.0967	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"298445"	333.206076	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"690349"	499.305476	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1366455"	167.106676	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"140678"	167.106676	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"579508"	250.156376	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1040289"	84.056976	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"210378"	111.740209333333	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"651031"	167.106676	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1175723"	56.3737426666667	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"435718"	350.232623	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"796716"	516.332023	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1693775"	184.133223	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"341325"	175.6199495	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"737024"	258.6696495	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1492587"	92.5702495	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"404056"	355.188018	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"763957"	521.287418	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1616430"	189.088618	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"324281"	178.097647	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"716703"	261.147347	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1467242"	95.047947	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1059396"	63.7010566666667	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1259251"	199.132886	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"380742"	371.161958	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"743925"	537.261358	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1545978"	205.062558	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"302062"	186.084617	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"697761"	269.134317	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1452676"	103.034917	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"241277"	374.232626	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1212891"	208.133226	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1197868"	104.570251	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"196207"	377.16996	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"639049"	543.26936	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1135998"	211.07056	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"181476"	189.088618	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"619943"	272.138318	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1119073"	106.038918	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1403691"	71.0283706666667	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1435078"	213.112146	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"224410"	194.12164	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1515753"	227.16419	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"413252"	197.075588	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"777533"	280.125288	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1674957"	114.025888	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"257103"	396.214568	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1230907"	230.115168	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1715781"	230.138693	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1181865"	78.3556846666667	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1653578"	235.094088	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"165182"	409.11784	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"602557"	575.21724	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1093633"	243.01844	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"152638"	205.062558	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"595358"	288.112258	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1083881"	122.012858	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1114172"	245.032992	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1350071"	245.120607	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1020182"	249.159776	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1539635"	250.153408	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"1003661"	125.083526	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1597192"	251.068028	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1422852"	281.099538	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1157514"	145.596801	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1707065"	298.126085	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1643813"	303.08148	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1582743"	319.05542	"C09792"	"Nepetalactone trans-cis-form"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"808737"	580.1792	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M"	0
"975708"	561.16081	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-H2O-H"	-19.01839
"65048"	385.778857333333	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M-3H"	-3.021828
"506796"	579.171924	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M-3H"	-3.021828
"880013"	192.385790666667	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-3H"	-3.021828
"165"	579.171924	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M-2H"	-2.014552
"440214"	869.261524	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M-2H"	-2.014552
"818349"	289.082324	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-2H"	-2.014552
"80893"	1159.351124	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M-H"	-1.007276
"520087"	1739.530324	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M-H"	-1.007276
"896915"	579.171924	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-H"	-1.007276
"49345"	1176.377671	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M-2H+NH4"	16.019271
"490728"	1756.556871	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M-2H+NH4"	16.019271
"868162"	596.198471	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-2H+NH4"	16.019271
"34246"	1181.333066	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M-2H+Na"	20.974666
"474901"	1761.512266	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M-2H+Na"	20.974666
"851612"	601.153866	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-2H+Na"	20.974666
"1621508"	601.153866	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Na-2H"	20.974666
"96947"	597.160263	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M-H+Cl"	33.962126
"537238"	887.249863	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M-H+Cl"	33.962126
"927471"	307.070663	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-H+Cl"	33.962126
"267478"	1195.327802	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+Cl"	34.969402
"668298"	1775.507002	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+Cl"	34.969402
"1282887"	615.148602	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Cl"	34.969402
"28362"	1197.307006	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M-2H+K"	36.948606
"471168"	1777.486206	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M-2H+K"	36.948606
"848359"	617.127806	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-2H+K"	36.948606
"1571214"	617.127806	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+K-2H"	36.948606
"958198"	625.177394	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-H+HCOOH"	44.998194
"375317"	1205.356601	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+HCOOH-H"	44.998201
"360538"	1219.372251	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+Hac-H"	59.013851
"1500741"	639.193051	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Hac-H"	59.013851
"963908"	647.159351	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-H+NaCOOH"	66.980151
"119376"	615.148602	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+2Cl"	69.938804
"558934"	905.238202	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+2Cl"	69.938804
"1032106"	325.059002	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2Cl"	69.938804
"1253869"	659.098085	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Br"	78.918885
"1319608"	661.154072	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Cl+HCOOH"	80.974872
"1327252"	683.136029	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Cl+NaCOOH"	102.956829
"917583"	693.164786	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M-H+CF3COOH"	112.985586
"1304122"	729.141464	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Cl+CF3COOH"	148.962264
"1377202"	545.166524	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H-2H2O"	-35.012676
"1397983"	563.1765	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H-H2O"	-17.0027
"296939"	1161.365676	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+H"	1.007276
"690094"	1741.544876	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+H"	1.007276
"1364620"	581.186476	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H"	1.007276
"140183"	581.186476	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+2H"	2.014552
"579619"	871.276076	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+2H"	2.014552
"1038211"	291.096876	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2H"	2.014552
"209395"	387.793409333333	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+3H"	3.021828
"648955"	581.186476	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+3H"	3.021828
"1175833"	194.400342666667	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+3H"	3.021828
"438744"	1178.392223	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+NH4"	18.033823
"796826"	1758.571423	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+NH4"	18.033823
"1692791"	598.213023	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+NH4"	18.033823
"340342"	589.6997495	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+H+NH4"	19.041099
"732761"	879.7893495	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+H+NH4"	19.041099
"1488767"	299.6101495	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H+NH4"	19.041099
"405260"	1183.347618	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+Na"	22.989218
"764068"	1763.526818	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+Na"	22.989218
"1615447"	603.168418	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Na"	22.989218
"322203"	592.177447	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+H+Na"	23.996494
"712802"	882.267047	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+H+Na"	23.996494
"1463340"	302.087847	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H+Na"	23.996494
"1057316"	201.727656666667	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2H+Na"	25.00377
"1259360"	613.212686	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+CH3OH+H"	33.033486
"380121"	1199.321558	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+K"	38.963158
"742212"	1779.500758	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+K"	38.963158
"1546088"	619.142358	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+K"	38.963158
"300348"	600.164417	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+H+K"	39.970434
"697871"	890.254017	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+H+K"	39.970434
"1453880"	310.074817	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H+K"	39.970434
"242479"	1202.392226	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+ACN+H"	42.033826
"1213002"	622.213026	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+ACN+H"	42.033826
"1196519"	311.610151	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+ACN+2H"	43.041102
"195224"	1205.32956	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+2Na-H"	44.97116
"640252"	1785.50876	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+2Na-H"	44.97116
"1137201"	625.15036	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2Na-H"	44.97116
"178670"	603.168418	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+2Na"	45.978436
"617138"	893.258018	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+2Na"	45.978436
"1121370"	313.078818	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2Na"	45.978436
"1407082"	209.054970666667	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H+2Na"	46.985712
"1438105"	627.191946	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H+HCOOH"	47.012746
"224155"	608.20144	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+3H2O+2H"	56.04448
"1512583"	641.24399	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+IsoProp+H"	61.06479
"415550"	611.155388	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+Na+K"	61.952376
"777643"	901.244988	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+Na+K"	61.952376
"1675066"	321.065788	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Na+K"	61.952376
"257213"	1224.374168	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+ACN+Na"	64.015768
"1231017"	644.194968	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+ACN+Na"	64.015768
"1716621"	644.218493	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+NH4+HCOOH"	64.039293
"1182339"	216.382284666667	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+3Na"	68.967654
"1652960"	649.173888	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Na+HCOOH"	68.994688
"164199"	1237.27744	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+2K-H"	76.91904
"601574"	1817.45664	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+2K-H"	76.91904
"1094836"	657.09824	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2K-H"	76.91904
"152748"	619.142358	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"2M+2K"	77.926316
"596319"	909.231958	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"3M+2K"	77.926316
"1084122"	329.052758	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2K"	77.926316
"1115591"	659.112792	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2K+H"	78.933592
"1349087"	659.200407	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+DMSO+H"	79.021207
"1020413"	663.239576	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2ACN+H"	83.060376
"1539757"	664.233208	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+IsoProp+Na+H"	84.054008
"1001705"	332.123426	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+2ACN+2H"	84.067652
"1600582"	665.147828	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+K+HCOOH"	84.968628
"1422962"	695.179338	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+H+CF3COOH"	115.000138
"1158718"	352.636701	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+3ACN+2H"	125.094202
"1708269"	712.205885	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+NH4+CF3COOH"	132.026685
"1643923"	717.16128	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+Na+CF3COOH"	136.98208
"1582853"	733.13522	"C09793"	"Narirutin;Naringenin 7-O-rutinoside"	"C27H32O14"	"580.1792"	"M+K+CF3COOH"	152.95602
"812127"	540.1843	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M"	0
"975818"	521.16591	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-H2O-H"	-19.01839
"65522"	359.115590666667	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M-3H"	-3.021828
"503094"	539.177024	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M-3H"	-3.021828
"880324"	179.054157333333	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-3H"	-3.021828
"233"	539.177024	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M-2H"	-2.014552
"440284"	809.269174	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M-2H"	-2.014552
"818459"	269.084874	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-2H"	-2.014552
"78856"	1079.361324	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M-H"	-1.007276
"520313"	1619.545624	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M-H"	-1.007276
"896416"	539.177024	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-H"	-1.007276
"49092"	1096.387871	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M-2H+NH4"	16.019271
"491932"	1636.572171	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M-2H+NH4"	16.019271
"870827"	556.203571	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-2H+NH4"	16.019271
"33264"	1101.343266	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M-2H+Na"	20.974666
"477198"	1641.527566	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M-2H+Na"	20.974666
"855002"	561.158966	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-2H+Na"	20.974666
"1621253"	561.158966	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Na-2H"	20.974666
"97787"	557.165363	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M-H+Cl"	33.962126
"538441"	827.257513	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M-H+Cl"	33.962126
"931956"	287.073213	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-H+Cl"	33.962126
"267514"	1115.338002	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+Cl"	34.969402
"670960"	1655.522302	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+Cl"	34.969402
"1283726"	575.153702	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Cl"	34.969402
"28109"	1117.317206	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M-2H+K"	36.948606
"470958"	1657.501506	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M-2H+K"	36.948606
"847549"	577.132906	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-2H+K"	36.948606
"1570428"	577.132906	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+K-2H"	36.948606
"955390"	585.182494	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-H+HCOOH"	44.998194
"374699"	1125.366801	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+HCOOH-H"	44.998201
"360041"	1139.382451	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+Hac-H"	59.013851
"1503038"	599.198151	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Hac-H"	59.013851
"966205"	607.164451	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-H+NaCOOH"	66.980151
"119122"	575.153702	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+2Cl"	69.938804
"559044"	845.245852	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+2Cl"	69.938804
"1031124"	305.061552	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2Cl"	69.938804
"1249971"	619.103185	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Br"	78.918885
"1319349"	621.159172	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Cl+HCOOH"	80.974872
"1326272"	643.141129	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Cl+NaCOOH"	102.956829
"918422"	653.169886	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M-H+CF3COOH"	112.985586
"1303982"	689.146564	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Cl+CF3COOH"	148.962264
"1377312"	505.171624	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H-2H2O"	-35.012676
"1397364"	523.1816	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H-H2O"	-17.0027
"297049"	1081.375876	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+H"	1.007276
"689841"	1621.560176	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+H"	1.007276
"1364366"	541.191576	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H"	1.007276
"139442"	541.191576	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+2H"	2.014552
"576810"	811.283726	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+2H"	2.014552
"1045977"	271.099426	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2H"	2.014552
"214974"	361.130142666667	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+3H"	3.021828
"653438"	541.191576	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+3H"	3.021828
"1175945"	181.068709333333	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+3H"	3.021828
"433752"	1098.402423	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+NH4"	18.033823
"797665"	1638.586723	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+NH4"	18.033823
"1691079"	558.218123	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+NH4"	18.033823
"341541"	549.7048495	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+H+NH4"	19.041099
"733965"	819.7969995	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+H+NH4"	19.041099
"1485598"	279.6126995	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H+NH4"	19.041099
"403183"	1103.357818	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+Na"	22.989218
"766365"	1643.542118	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+Na"	22.989218
"1614464"	563.173518	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Na"	22.989218
"321221"	552.182547	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+H+Na"	23.996494
"714737"	822.274697	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+H+Na"	23.996494
"1465639"	282.090397	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H+Na"	23.996494
"1056336"	188.396023333333	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2H+Na"	25.00377
"1258863"	573.217786	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+CH3OH+H"	33.033486
"378412"	1119.331758	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+K"	38.963158
"743054"	1659.516058	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+K"	38.963158
"1548386"	579.147458	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+K"	38.963158
"303375"	560.169517	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+H+K"	39.970434
"700169"	830.261667	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+H+K"	39.970434
"1453991"	290.077367	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H+K"	39.970434
"244776"	1122.402426	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+ACN+H"	42.033826
"1213112"	582.218126	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+ACN+H"	42.033826
"1198089"	291.612701	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+ACN+2H"	43.041102
"196427"	1125.33976	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+2Na-H"	44.97116
"638175"	1665.52406	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+2Na-H"	44.97116
"1137312"	585.15546	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2Na-H"	44.97116
"183156"	563.173518	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+2Na"	45.978436
"622351"	833.265668	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+2Na"	45.978436
"1126949"	293.081368	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2Na"	45.978436
"1407192"	195.723337333333	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H+2Na"	46.985712
"1439308"	587.197046	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H+HCOOH"	47.012746
"224630"	568.20654	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+3H2O+2H"	56.04448
"1515973"	601.24909	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+IsoProp+H"	61.06479
"417846"	571.160488	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+Na+K"	61.952376
"780669"	841.252638	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+Na+K"	61.952376
"1676999"	301.068338	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Na+K"	61.952376
"261333"	1144.384368	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+ACN+Na"	64.015768
"1234408"	604.200068	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+ACN+Na"	64.015768
"1716733"	604.223593	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+NH4+HCOOH"	64.039293
"1182087"	203.050651333333	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+3Na"	68.967654
"1654167"	609.178988	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Na+HCOOH"	68.994688
"164311"	1157.28764	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+2K-H"	76.91904
"606059"	1697.47194	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+2K-H"	76.91904
"1092760"	617.10334	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2K-H"	76.91904
"152858"	579.147458	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"2M+2K"	77.926316
"594484"	849.239608	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"3M+2K"	77.926316
"1083011"	309.055308	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2K"	77.926316
"1112326"	619.117892	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2K+H"	78.933592
"1348588"	619.205507	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+DMSO+H"	79.021207
"1018336"	623.244676	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2ACN+H"	83.060376
"1539257"	624.238308	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+IsoProp+Na+H"	84.054008
"1001815"	312.125976	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+2ACN+2H"	84.067652
"1598505"	625.152928	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+K+HCOOH"	84.968628
"1425259"	655.184438	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+H+CF3COOH"	115.000138
"1158827"	332.639251	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+3ACN+2H"	125.094202
"1705097"	672.210985	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+NH4+CF3COOH"	132.026685
"1644033"	677.16638	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+Na+CF3COOH"	136.98208
"1582963"	693.14032	"C09794"	"Oleuropein"	"C25H32O13"	"540.1843"	"M+K+CF3COOH"	152.95602
"804582"	446.0883	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M"	0
"978114"	427.06991	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-H2O-H"	-19.01839
"64904"	296.384924	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M-3H"	-3.021828
"503854"	445.081024	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M-3H"	-3.021828
"880679"	147.688824	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-3H"	-3.021828
"1447"	445.081024	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M-2H"	-2.014552
"441124"	668.125174	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M-2H"	-2.014552
"818203"	222.036874	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-2H"	-2.014552
"79289"	891.169324	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M-H"	-1.007276
"519937"	1337.257624	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M-H"	-1.007276
"897134"	445.081024	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-H"	-1.007276
"56855"	908.195871	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M-2H+NH4"	16.019271
"490949"	1354.284171	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M-2H+NH4"	16.019271
"870937"	462.107571	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-2H+NH4"	16.019271
"34830"	913.151266	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M-2H+Na"	20.974666
"480588"	1359.239566	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M-2H+Na"	20.974666
"850738"	467.062966	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-2H+Na"	20.974666
"1622457"	467.062966	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Na-2H"	20.974666
"95709"	463.069363	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M-H+Cl"	33.962126
"536363"	686.113513	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M-H+Cl"	33.962126
"932066"	240.025213	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-H+Cl"	33.962126
"267698"	927.146002	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+Cl"	34.969402
"671800"	1373.234302	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+Cl"	34.969402
"1285294"	481.057702	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Cl"	34.969402
"29799"	929.125206	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M-2H+K"	36.948606
"470948"	1375.213506	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M-2H+K"	36.948606
"847537"	483.036906	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-2H+K"	36.948606
"1570905"	483.036906	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+K-2H"	36.948606
"953312"	491.086494	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-H+HCOOH"	44.998194
"375663"	937.174801	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+HCOOH-H"	44.998201
"360154"	951.190451	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+Hac-H"	59.013851
"1504609"	505.102151	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Hac-H"	59.013851
"968501"	513.068451	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-H+NaCOOH"	66.980151
"116315"	481.057702	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+2Cl"	69.938804
"558061"	704.101852	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+2Cl"	69.938804
"1031233"	258.013552	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2Cl"	69.938804
"1249718"	525.007185	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Br"	78.918885
"1313988"	527.063172	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Cl+HCOOH"	80.974872
"1326382"	549.045129	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Cl+NaCOOH"	102.956829
"917439"	559.073886	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M-H+CF3COOH"	112.985586
"1303640"	595.050564	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Cl+CF3COOH"	148.962264
"1377786"	411.075624	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H-2H2O"	-35.012676
"1390907"	429.0856	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H-H2O"	-17.0027
"297405"	893.183876	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+H"	1.007276
"689217"	1339.272176	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+H"	1.007276
"1366952"	447.095576	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H"	1.007276
"140522"	447.095576	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+2H"	2.014552
"577284"	670.139726	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+2H"	2.014552
"1043898"	224.051426	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2H"	2.014552
"210706"	298.399476	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+3H"	3.021828
"650265"	447.095576	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+3H"	3.021828
"1177837"	149.703376	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+3H"	3.021828
"437870"	910.210423	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+NH4"	18.033823
"798139"	1356.298723	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+NH4"	18.033823
"1692284"	464.122123	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+NH4"	18.033823
"343473"	455.6088495	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+H+NH4"	19.041099
"734075"	678.6529995	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+H+NH4"	19.041099
"1490082"	232.5646995	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H+NH4"	19.041099
"405481"	915.165818	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+Na"	22.989218
"766474"	1361.254118	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+Na"	22.989218
"1616760"	469.077518	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Na"	22.989218
"322425"	458.086547	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+H+Na"	23.996494
"719221"	681.130697	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+H+Na"	23.996494
"1466479"	235.042397	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H+Na"	23.996494
"1058633"	157.03069	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2H+Na"	25.00377
"1260312"	479.121786	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+CH3OH+H"	33.033486
"383261"	931.139758	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+K"	38.963158
"744257"	1377.228058	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+K"	38.963158
"1547402"	485.051458	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+K"	38.963158
"303485"	466.073517	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+H+K"	39.970434
"700280"	689.117667	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+H+K"	39.970434
"1455193"	243.029367	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H+K"	39.970434
"243794"	934.210426	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+ACN+H"	42.033826
"1216502"	488.122126	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+ACN+H"	42.033826
"1198199"	244.564701	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+ACN+2H"	43.041102
"196539"	937.14776	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+2Na-H"	44.97116
"642296"	1383.23606	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+2Na-H"	44.97116
"1140701"	491.05946	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2Na-H"	44.97116
"177796"	469.077518	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+2Na"	45.978436
"622460"	692.121668	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+2Na"	45.978436
"1124142"	246.033368	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2Na"	45.978436
"1412041"	164.358004	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H+2Na"	46.985712
"1441240"	493.101046	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H+HCOOH"	47.012746
"223647"	474.11054	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+3H2O+2H"	56.04448
"1512802"	507.15309	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+IsoProp+H"	61.06479
"411396"	477.064488	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+Na+K"	61.952376
"780050"	700.108638	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+Na+K"	61.952376
"1677109"	254.020338	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Na+K"	61.952376
"257432"	956.192368	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+ACN+Na"	64.015768
"1235612"	510.104068	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+ACN+Na"	64.015768
"1714657"	510.127593	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+NH4+HCOOH"	64.039293
"1182197"	171.685318	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+3Na"	68.967654
"1654277"	515.082988	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Na+HCOOH"	68.994688
"164421"	969.09564	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+2K-H"	76.91904
"606169"	1415.18394	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+2K-H"	76.91904
"1092869"	523.00734	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2K-H"	76.91904
"150781"	485.051458	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"2M+2K"	77.926316
"591435"	708.095608	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"3M+2K"	77.926316
"1082874"	262.007308	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2K"	77.926316
"1113409"	525.021892	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2K+H"	78.933592
"1340071"	525.109507	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+DMSO+H"	79.021207
"1014071"	529.148676	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2ACN+H"	83.060376
"1535475"	530.142308	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+IsoProp+Na+H"	84.054008
"999737"	265.077976	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+2ACN+2H"	84.067652
"1595333"	531.056928	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+K+HCOOH"	84.968628
"1422088"	561.088438	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+H+CF3COOH"	115.000138
"1153470"	285.591251	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+3ACN+2H"	125.094202
"1700833"	578.114985	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+NH4+CF3COOH"	132.026685
"1644143"	583.07038	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+Na+CF3COOH"	136.98208
"1583073"	599.04432	"C09795"	"Paederoside"	"C18H22O11S"	"446.0883"	"M+K+CF3COOH"	152.95602
"803599"	290.079	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M"	0
"979317"	271.06061	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"65380"	192.378724	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"502849"	289.071724	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"880553"	95.685724	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"1315"	289.071724	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"440749"	434.111224	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"817216"	144.032224	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"79273"	579.150724	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"520048"	869.229724	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"897849"	289.071724	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"56965"	596.177271	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"489964"	886.256271	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"871047"	306.098271	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"34209"	601.132666	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"477418"	891.211666	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"850847"	311.053666	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1633500"	311.053666	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"94641"	307.060063	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"535127"	452.099563	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"927552"	162.020563	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"267359"	615.127402	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"674460"	905.206402	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1285404"	325.048402	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"31002"	617.106606	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"470816"	907.185606	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"847890"	327.027606	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1570528"	327.027606	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"957435"	335.077194	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"375649"	625.156201	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"358802"	639.171851	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1505083"	349.092851	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"967518"	357.059151	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"116424"	325.048402	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"557078"	470.087902	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1029156"	180.008902	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1249827"	368.997885	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1314462"	371.053872	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1325398"	393.035829	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"916456"	403.064586	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1302654"	439.041264	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1377532"	255.066324	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1387738"	273.0763	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"297269"	581.165276	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"686409"	871.244276	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1366990"	291.086276	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"140996"	291.086276	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"577394"	436.125776	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1042915"	146.046776	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"210816"	194.393276	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"648189"	291.086276	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1173979"	97.700276	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"435793"	598.191823	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"798248"	888.270823	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1691301"	308.112823	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"339576"	299.5995495	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"731996"	444.6390495	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1486910"	154.5600495	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"404495"	603.147218	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"764398"	893.226218	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1614685"	313.068218	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"322536"	302.077247	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"718238"	447.116747	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1466589"	157.037747	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1055461"	105.02759	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1258234"	323.112486	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"378632"	619.121158	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"743273"	909.200158	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1546419"	329.042158	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"301409"	310.064217	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"700388"	455.103717	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1452021"	165.024717	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"246093"	622.191826	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1213331"	332.112826	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1194539"	166.560051	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"193368"	625.12916	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"640583"	915.20816	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1137531"	335.05016	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"179364"	313.068218	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"618559"	458.107718	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1119148"	168.028718	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1408504"	112.354904	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1439526"	337.091746	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"221325"	318.10124	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1509387"	351.14379	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"411870"	321.055188	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"781983"	466.094688	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1675396"	176.015688	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"259365"	644.173768	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1234628"	354.094768	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1715860"	354.118293	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1183401"	119.682218	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1654387"	359.073688	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"163438"	657.07704	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"605186"	947.15604	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1091886"	366.99804	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"150891"	329.042158	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"589358"	474.081658	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1080432"	184.002658	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1109267"	369.012592	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1340181"	369.100207	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1014179"	373.139376	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1534492"	374.133008	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"999847"	187.073326	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1589975"	375.047628	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1422198"	405.079138	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1153580"	207.586601	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1700943"	422.105685	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1647533"	427.06108	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1583183"	443.03502	"C09796"	"Plumericin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"806989"	470.1424	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M"	0
"979427"	451.12401	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-H2O-H"	-19.01839
"62957"	312.420990666667	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M-3H"	-3.021828
"502904"	469.135124	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M-3H"	-3.021828
"882850"	155.706857333333	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-3H"	-3.021828
"696"	469.135124	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M-2H"	-2.014552
"441347"	704.206324	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M-2H"	-2.014552
"817163"	234.063924	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-2H"	-2.014552
"79139"	939.277524	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M-H"	-1.007276
"520036"	1409.419924	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M-H"	-1.007276
"898323"	469.135124	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-H"	-1.007276
"57075"	956.304071	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M-2H+NH4"	16.019271
"492262"	1426.446471	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M-2H+NH4"	16.019271
"867877"	486.161671	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-2H+NH4"	16.019271
"33592"	961.259466	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M-2H+Na"	20.974666
"477528"	1431.401866	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M-2H+Na"	20.974666
"850957"	491.117066	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-2H+Na"	20.974666
"1632762"	491.117066	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Na-2H"	20.974666
"94428"	487.123463	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M-H+Cl"	33.962126
"534514"	722.194663	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M-H+Cl"	33.962126
"927293"	252.052263	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-H+Cl"	33.962126
"267516"	975.254202	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+Cl"	34.969402
"673476"	1445.396602	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+Cl"	34.969402
"1286242"	505.111802	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Cl"	34.969402
"30746"	977.233406	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M-2H+K"	36.948606
"470555"	1447.375806	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M-2H+K"	36.948606
"847264"	507.091006	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-2H+K"	36.948606
"1570751"	507.091006	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+K-2H"	36.948606
"957545"	515.140594	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-H+HCOOH"	44.998194
"374666"	985.283001	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+HCOOH-H"	44.998201
"357455"	999.298651	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+Hac-H"	59.013851
"1504101"	529.156251	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Hac-H"	59.013851
"966535"	537.122551	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-H+NaCOOH"	66.980151
"117627"	505.111802	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+2Cl"	69.938804
"556095"	740.183002	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+2Cl"	69.938804
"1028537"	270.040602	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2Cl"	69.938804
"1248844"	549.061285	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Br"	78.918885
"1314572"	551.117272	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Cl+HCOOH"	80.974872
"1326602"	573.099229	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Cl+NaCOOH"	102.956829
"918754"	583.127986	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M-H+CF3COOH"	112.985586
"1302035"	619.104664	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Cl+CF3COOH"	148.962264
"1377642"	435.129724	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H-2H2O"	-35.012676
"1387848"	453.1397	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H-H2O"	-17.0027
"295193"	941.292076	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+H"	1.007276
"684333"	1411.434476	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+H"	1.007276
"1365423"	471.149676	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H"	1.007276
"139041"	471.149676	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+2H"	2.014552
"574225"	706.220876	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+2H"	2.014552
"1038652"	236.078476	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2H"	2.014552
"204851"	314.435542666667	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+3H"	3.021828
"645747"	471.149676	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+3H"	3.021828
"1175547"	157.721409333333	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+3H"	3.021828
"435173"	958.318623	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+NH4"	18.033823
"798357"	1428.461023	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+NH4"	18.033823
"1692867"	488.176223	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+NH4"	18.033823
"342601"	479.6629495	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+H+NH4"	19.041099
"733202"	714.7341495	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+H+NH4"	19.041099
"1488116"	244.5917495	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H+NH4"	19.041099
"404606"	963.274018	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+Na"	22.989218
"767789"	1433.416418	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+Na"	22.989218
"1617710"	493.131618	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Na"	22.989218
"324834"	482.140647	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+H+Na"	23.996494
"718348"	717.211847	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+H+Na"	23.996494
"1473260"	247.069447	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H+Na"	23.996494
"1059947"	165.048723333333	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2H+Na"	25.00377
"1258344"	503.175886	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+CH3OH+H"	33.033486
"378013"	979.247958	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+K"	38.963158
"747757"	1449.390358	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+K"	38.963158
"1548717"	509.105558	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+K"	38.963158
"303706"	490.127617	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+H+K"	39.970434
"699403"	725.198817	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+H+K"	39.970434
"1452131"	255.056417	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H+K"	39.970434
"240734"	982.318626	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+ACN+H"	42.033826
"1217817"	512.176226	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+ACN+H"	42.033826
"1195616"	256.591751	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+ACN+2H"	43.041102
"189828"	985.25596	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+2Na-H"	44.97116
"631945"	1455.39836	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+2Na-H"	44.97116
"1134359"	515.11356	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2Na-H"	44.97116
"178743"	493.131618	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+2Na"	45.978436
"615389"	728.202818	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+2Na"	45.978436
"1118164"	258.060418	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2Na"	45.978436
"1404240"	172.376037333333	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H+2Na"	46.985712
"1437448"	517.155146	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H+HCOOH"	47.012746
"226052"	498.16464	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+3H2O+2H"	56.04448
"1509254"	531.20719	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+IsoProp+H"	61.06479
"411250"	501.118588	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+Na+K"	61.952376
"776987"	736.189788	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+Na+K"	61.952376
"1673318"	266.047388	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Na+K"	61.952376
"258745"	1004.300568	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+ACN+Na"	64.015768
"1235832"	534.158168	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+ACN+Na"	64.015768
"1715970"	534.181693	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+NH4+HCOOH"	64.039293
"1183511"	179.703351333333	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+3Na"	68.967654
"1650850"	539.137088	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Na+HCOOH"	68.994688
"161361"	1017.20384	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+2K-H"	76.91904
"605296"	1487.34624	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+2K-H"	76.91904
"1093089"	547.06144	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2K-H"	76.91904
"151001"	509.105558	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"2M+2K"	77.926316
"588375"	744.176758	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"3M+2K"	77.926316
"1081635"	274.034358	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2K"	77.926316
"1109376"	549.075992	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2K+H"	78.933592
"1340291"	549.163607	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+DMSO+H"	79.021207
"1013196"	553.202776	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2ACN+H"	83.060376
"1533509"	554.196408	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+IsoProp+Na+H"	84.054008
"999957"	277.105026	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+2ACN+2H"	84.067652
"1590085"	555.111028	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+K+HCOOH"	84.968628
"1423401"	585.142538	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+H+CF3COOH"	115.000138
"1153690"	297.618301	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+3ACN+2H"	125.094202
"1701053"	602.169085	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+NH4+CF3COOH"	132.026685
"1647643"	607.12448	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+Na+CF3COOH"	136.98208
"1583293"	623.09842	"C09797"	"Plumieride"	"C21H26O12"	"470.1424"	"M+K+CF3COOH"	152.95602
"807099"	404.1319	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M"	0
"981725"	385.11351	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-H2O-H"	-19.01839
"63093"	268.413990666667	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M-3H"	-3.021828
"503045"	403.124624	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M-3H"	-3.021828
"880403"	133.703357333333	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-3H"	-3.021828
"3719"	403.124624	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M-2H"	-2.014552
"442548"	605.190574	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M-2H"	-2.014552
"817267"	201.058674	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-2H"	-2.014552
"79127"	807.256524	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M-H"	-1.007276
"520633"	1211.388424	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M-H"	-1.007276
"896734"	403.124624	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-H"	-1.007276
"50622"	824.283071	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M-2H+NH4"	16.019271
"490184"	1228.414971	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M-2H+NH4"	16.019271
"869079"	420.151171	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-2H+NH4"	16.019271
"32609"	829.238466	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M-2H+Na"	20.974666
"474357"	1233.370366	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M-2H+Na"	20.974666
"849974"	425.106566	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-2H+Na"	20.974666
"1624973"	425.106566	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Na-2H"	20.974666
"94569"	421.112963	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M-H+Cl"	33.962126
"534576"	623.178913	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M-H+Cl"	33.962126
"927203"	219.047013	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-H+Cl"	33.962126
"267218"	843.233202	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+Cl"	34.969402
"673586"	1247.365102	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+Cl"	34.969402
"1284167"	439.101302	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Cl"	34.969402
"29276"	845.212406	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M-2H+K"	36.948606
"469931"	1249.344306	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M-2H+K"	36.948606
"847693"	441.080506	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-2H+K"	36.948606
"1570129"	441.080506	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+K-2H"	36.948606
"956557"	449.130094	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-H+HCOOH"	44.998194
"374409"	853.262001	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+HCOOH-H"	44.998201
"356832"	867.277651	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+Hac-H"	59.013851
"1504575"	463.145751	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Hac-H"	59.013851
"964458"	471.112051	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-H+NaCOOH"	66.980151
"116643"	439.101302	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+2Cl"	69.938804
"556205"	641.167252	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+2Cl"	69.938804
"1031563"	237.035352	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2Cl"	69.938804
"1250048"	483.050785	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Br"	78.918885
"1316142"	485.106772	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Cl+HCOOH"	80.974872
"1326714"	507.088729	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Cl+NaCOOH"	102.956829
"922144"	517.117486	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M-H+CF3COOH"	112.985586
"1302145"	553.094164	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Cl+CF3COOH"	148.962264
"1377752"	369.119224	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H-2H2O"	-35.012676
"1387958"	387.1292	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H-H2O"	-17.0027
"297125"	809.271076	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+H"	1.007276
"684443"	1213.402976	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+H"	1.007276
"1365898"	405.139176	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H"	1.007276
"140244"	405.139176	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+2H"	2.014552
"575428"	607.205126	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+2H"	2.014552
"1040219"	203.073226	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2H"	2.014552
"204716"	270.428542666667	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+3H"	3.021828
"648409"	405.139176	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+3H"	3.021828
"1174200"	135.717909333333	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+3H"	3.021828
"436378"	826.297623	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+NH4"	18.033823
"798467"	1230.429523	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+NH4"	18.033823
"1692612"	422.165723	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+NH4"	18.033823
"340889"	413.6524495	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+H+NH4"	19.041099
"732218"	615.7183995	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+H+NH4"	19.041099
"1488226"	211.5864995	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H+NH4"	19.041099
"403623"	831.253018	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+Na"	22.989218
"767898"	1235.384918	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+Na"	22.989218
"1616727"	427.121118	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Na"	22.989218
"323850"	416.130147	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+H+Na"	23.996494
"719549"	618.196097	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+H+Na"	23.996494
"1475315"	214.064197	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H+Na"	23.996494
"1057870"	143.045223333333	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2H+Na"	25.00377
"1259911"	437.165386	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+CH3OH+H"	33.033486
"381404"	847.226958	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+K"	38.963158
"743492"	1251.358858	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+K"	38.963158
"1545546"	443.095058	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+K"	38.963158
"308189"	424.117117	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+H+K"	39.970434
"697328"	626.183067	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+H+K"	39.970434
"1450053"	222.051167	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H+K"	39.970434
"236832"	850.297626	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+ACN+H"	42.033826
"1211728"	446.165726	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+ACN+H"	42.033826
"1195241"	223.586501	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+ACN+2H"	43.041102
"189331"	853.23496	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+2Na-H"	44.97116
"628975"	1257.36686	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+2Na-H"	44.97116
"1137749"	449.10306	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2Na-H"	44.97116
"178853"	427.121118	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+2Na"	45.978436
"617686"	629.187068	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+2Na"	45.978436
"1115962"	225.055168	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2Na"	45.978436
"1403255"	150.372537333333	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H+2Na"	46.985712
"1437558"	451.144646	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H+HCOOH"	47.012746
"223974"	432.15414	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+3H2O+2H"	56.04448
"1516409"	465.19669	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+IsoProp+H"	61.06479
"412817"	435.108088	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+Na+K"	61.952376
"772718"	637.174038	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+Na+K"	61.952376
"1667957"	233.042138	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Na+K"	61.952376
"259949"	872.279568	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+ACN+Na"	64.015768
"1233754"	468.147668	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+ACN+Na"	64.015768
"1714985"	468.171193	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+NH4+HCOOH"	64.039293
"1182528"	157.699851333333	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+3Na"	68.967654
"1650961"	473.126588	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Na+HCOOH"	68.994688
"161468"	885.18284	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+2K-H"	76.91904
"601030"	1289.31474	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+2K-H"	76.91904
"1088824"	481.05094	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2K-H"	76.91904
"151111"	443.095058	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"2M+2K"	77.926316
"589578"	645.161008	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"3M+2K"	77.926316
"1077370"	241.029108	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2K"	77.926316
"1108393"	483.065492	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2K+H"	78.933592
"1341494"	483.153107	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+DMSO+H"	79.021207
"1012213"	487.192276	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2ACN+H"	83.060376
"1532526"	488.185908	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+IsoProp+Na+H"	84.054008
"1000068"	244.099776	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+2ACN+2H"	84.067652
"1589101"	489.100528	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+K+HCOOH"	84.968628
"1421324"	519.132038	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+H+CF3COOH"	115.000138
"1150518"	264.613051	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+3ACN+2H"	125.094202
"1701163"	536.158585	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+NH4+CF3COOH"	132.026685
"1647753"	541.11398	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+Na+CF3COOH"	136.98208
"1583403"	557.08792	"C09798"	"Scandoside methyl ester"	"C17H24O11"	"404.1319"	"M+K+CF3COOH"	152.95602
"803929"	394.1628	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M"	0
"978554"	375.14441	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-H2O-H"	-19.01839
"63644"	261.767924	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M-3H"	-3.021828
"503566"	393.155524	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M-3H"	-3.021828
"880068"	130.380324	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-3H"	-3.021828
"548"	393.155524	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M-2H"	-2.014552
"441199"	590.236924	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M-2H"	-2.014552
"817907"	196.074124	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-2H"	-2.014552
"80203"	787.318324	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M-H"	-1.007276
"520375"	1181.481124	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M-H"	-1.007276
"898541"	393.155524	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-H"	-1.007276
"52920"	804.344871	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M-2H+NH4"	16.019271
"495761"	1198.507671	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M-2H+NH4"	16.019271
"866029"	410.182071	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-2H+NH4"	16.019271
"35269"	809.300266	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M-2H+Na"	20.974666
"474467"	1203.463066	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M-2H+Na"	20.974666
"852271"	415.137466	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-2H+Na"	20.974666
"1629456"	415.137466	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Na-2H"	20.974666
"94497"	411.143863	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M-H+Cl"	33.962126
"534972"	608.225263	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M-H+Cl"	33.962126
"927275"	214.062463	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-H+Cl"	33.962126
"267576"	823.295002	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+Cl"	34.969402
"672603"	1217.457802	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+Cl"	34.969402
"1285370"	429.132202	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Cl"	34.969402
"29386"	825.274206	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M-2H+K"	36.948606
"470041"	1219.437006	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M-2H+K"	36.948606
"847846"	431.111406	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-2H+K"	36.948606
"1570606"	431.111406	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+K-2H"	36.948606
"954844"	439.160994	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-H+HCOOH"	44.998194
"372696"	833.323801	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+HCOOH-H"	44.998201
"354755"	847.339451	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+Hac-H"	59.013851
"1504683"	453.176651	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Hac-H"	59.013851
"970035"	461.142951	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-H+NaCOOH"	66.980151
"117116"	429.132202	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+2Cl"	69.938804
"558500"	626.213602	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+2Cl"	69.938804
"1031672"	232.050802	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2Cl"	69.938804
"1247970"	473.081685	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Br"	78.918885
"1315887"	475.137672	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Cl+HCOOH"	80.974872
"1327917"	497.119629	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Cl+NaCOOH"	102.956829
"918973"	507.148386	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M-H+CF3COOH"	112.985586
"1300066"	543.125064	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Cl+CF3COOH"	148.962264
"1377132"	359.150124	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H-2H2O"	-35.012676
"1384788"	377.1601	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H-H2O"	-17.0027
"295048"	789.332876	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+H"	1.007276
"685646"	1183.495676	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+H"	1.007276
"1366133"	395.170076	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H"	1.007276
"140963"	395.170076	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+2H"	2.014552
"575538"	592.251476	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+2H"	2.014552
"1041056"	198.088676	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2H"	2.014552
"206773"	263.782476	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+3H"	3.021828
"647424"	395.170076	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+3H"	3.021828
"1174310"	132.394876	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+3H"	3.021828
"437216"	806.359423	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+NH4"	18.033823
"797482"	1200.522223	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+NH4"	18.033823
"1692721"	412.196623	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+NH4"	18.033823
"339906"	403.6833495	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+H+NH4"	19.041099
"734148"	600.7647495	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+H+NH4"	19.041099
"1484324"	206.6019495	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H+NH4"	19.041099
"404825"	811.314818	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+Na"	22.989218
"763633"	1205.477618	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+Na"	22.989218
"1616473"	417.152018	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Na"	22.989218
"327605"	406.161047	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+H+Na"	23.996494
"718566"	603.242447	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+H+Na"	23.996494
"1473481"	209.079647	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H+Na"	23.996494
"1056519"	139.72219	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2H+Na"	25.00377
"1261844"	427.196286	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+CH3OH+H"	33.033486
"380420"	827.288758	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+K"	38.963158
"741416"	1221.451558	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+K"	38.963158
"1545656"	433.125958	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+K"	38.963158
"307206"	414.148017	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+H+K"	39.970434
"699623"	611.229417	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+H+K"	39.970434
"1451256"	217.066617	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H+K"	39.970434
"238029"	830.359426	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+ACN+H"	42.033826
"1211837"	436.196626	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+ACN+H"	42.033826
"1195350"	218.601951	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+ACN+2H"	43.041102
"193698"	833.29676	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+2Na-H"	44.97116
"630098"	1227.45956	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+2Na-H"	44.97116
"1134579"	439.13396	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2Na-H"	44.97116
"180056"	417.152018	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+2Na"	45.978436
"619619"	614.233418	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+2Na"	45.978436
"1115950"	220.070618	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2Na"	45.978436
"1401178"	147.049504	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H+2Na"	46.985712
"1435482"	441.175546	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H+HCOOH"	47.012746
"226272"	422.18504	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+3H2O+2H"	56.04448
"1516519"	455.22759	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+IsoProp+H"	61.06479
"412927"	425.138988	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+Na+K"	61.952376
"772828"	622.220388	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+Na+K"	61.952376
"1665616"	228.057588	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Na+K"	61.952376
"255684"	852.341368	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+ACN+Na"	64.015768
"1234957"	458.178568	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+ACN+Na"	64.015768
"1715823"	458.202093	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+NH4+HCOOH"	64.039293
"1182638"	154.376818	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+3Na"	68.967654
"1652528"	463.157488	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Na+HCOOH"	68.994688
"160485"	865.24464	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+2K-H"	76.91904
"601140"	1259.40744	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+2K-H"	76.91904
"1088934"	471.08184	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2K-H"	76.91904
"151221"	433.125958	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"2M+2K"	77.926316
"585314"	630.207358	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"3M+2K"	77.926316
"1075293"	236.044558	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2K"	77.926316
"1107409"	473.096392	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2K+H"	78.933592
"1342698"	473.184007	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+DMSO+H"	79.021207
"1009040"	477.223176	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2ACN+H"	83.060376
"1527167"	478.216808	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+IsoProp+Na+H"	84.054008
"1000177"	239.115226	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+2ACN+2H"	84.067652
"1588118"	479.131428	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+K+HCOOH"	84.968628
"1419245"	509.162938	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+H+CF3COOH"	115.000138
"1151722"	259.628501	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+3ACN+2H"	125.094202
"1701273"	526.189485	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+NH4+CF3COOH"	132.026685
"1647863"	531.14488	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+Na+CF3COOH"	136.98208
"1583513"	547.11882	"C09799"	"Specionin"	"C20H26O8"	"394.1628"	"M+K+CF3COOH"	152.95602
"812793"	374.1213	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M"	0
"988147"	355.10291	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-H2O-H"	-19.01839
"65818"	248.406924	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M-3H"	-3.021828
"504285"	373.114024	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M-3H"	-3.021828
"880625"	123.699824	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-3H"	-3.021828
"1146"	373.114024	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M-2H"	-2.014552
"441071"	560.174674	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M-2H"	-2.014552
"817778"	186.053374	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-2H"	-2.014552
"79229"	747.235324	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M-H"	-1.007276
"520978"	1121.356624	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M-H"	-1.007276
"901938"	373.114024	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-H"	-1.007276
"50844"	764.261871	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M-2H+NH4"	16.019271
"492591"	1138.383171	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M-2H+NH4"	16.019271
"867113"	390.140571	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-2H+NH4"	16.019271
"40486"	769.217266	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M-2H+Na"	20.974666
"477860"	1143.338566	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M-2H+Na"	20.974666
"849256"	395.095966	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-2H+Na"	20.974666
"1619160"	395.095966	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Na-2H"	20.974666
"96258"	391.102363	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M-H+Cl"	33.962126
"541291"	578.163013	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M-H+Cl"	33.962126
"936995"	204.041713	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-H+Cl"	33.962126
"282332"	783.212002	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+Cl"	34.969402
"674791"	1157.333302	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+Cl"	34.969402
"1287681"	409.090702	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Cl"	34.969402
"30476"	785.191206	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M-2H+K"	36.948606
"470643"	1159.312506	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M-2H+K"	36.948606
"847841"	411.069906	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-2H+K"	36.948606
"1570598"	411.069906	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+K-2H"	36.948606
"957146"	419.119494	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-H+HCOOH"	44.998194
"377024"	793.240801	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+HCOOH-H"	44.998201
"358874"	807.256451	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+Hac-H"	59.013851
"1504792"	433.135151	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Hac-H"	59.013851
"971241"	441.101451	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-H+NaCOOH"	66.980151
"121604"	409.090702	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+2Cl"	69.938804
"563718"	596.151352	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+2Cl"	69.938804
"1035431"	222.030052	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2Cl"	69.938804
"1249178"	453.040185	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Br"	78.918885
"1309806"	455.096172	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Cl+HCOOH"	80.974872
"1334231"	477.078129	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Cl+NaCOOH"	102.956829
"925658"	487.106886	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M-H+CF3COOH"	112.985586
"1302365"	523.083564	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Cl+CF3COOH"	148.962264
"1377247"	339.108624	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H-2H2O"	-35.012676
"1394744"	357.1186	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H-H2O"	-17.0027
"295524"	749.249876	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+H"	1.007276
"690869"	1123.371176	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+H"	1.007276
"1365390"	375.128576	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H"	1.007276
"140466"	375.128576	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+2H"	2.014552
"576745"	562.189226	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+2H"	2.014552
"1040442"	188.067926	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2H"	2.014552
"219535"	250.421476	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+3H"	3.021828
"656294"	375.128576	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+3H"	3.021828
"1173325"	125.714376	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+3H"	3.021828
"438423"	766.276423	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+NH4"	18.033823
"794312"	1140.397723	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+NH4"	18.033823
"1695020"	392.155123	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+NH4"	18.033823
"335644"	383.6418495	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+H+NH4"	19.041099
"733531"	570.7024995	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+H+NH4"	19.041099
"1489538"	196.5811995	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H+NH4"	19.041099
"407123"	771.231818	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+Na"	22.989218
"767024"	1145.353118	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+Na"	22.989218
"1615122"	397.110518	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Na"	22.989218
"328929"	386.119547	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+H+Na"	23.996494
"713212"	573.180197	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+H+Na"	23.996494
"1468124"	199.058897	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H+Na"	23.996494
"1059183"	133.04169	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2H+Na"	25.00377
"1267423"	407.154786	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+CH3OH+H"	33.033486
"389278"	787.205758	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+K"	38.963158
"746992"	1161.327058	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+K"	38.963158
"1547952"	413.084458	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+K"	38.963158
"309503"	394.106517	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+H+K"	39.970434
"699734"	581.167167	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+H+K"	39.970434
"1450274"	207.045867	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H+K"	39.970434
"237415"	790.276426	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+ACN+H"	42.033826
"1210729"	416.155126	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+ACN+H"	42.033826
"1196563"	208.581201	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+ACN+2H"	43.041102
"190892"	793.21376	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+2Na-H"	44.97116
"630456"	1167.33506	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+2Na-H"	44.97116
"1137970"	419.09246	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2Na-H"	44.97116
"179075"	397.110518	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+2Na"	45.978436
"620094"	584.171168	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+2Na"	45.978436
"1127976"	210.049868	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2Na"	45.978436
"1411499"	140.369004	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H+2Na"	46.985712
"1438874"	421.134046	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H+HCOOH"	47.012746
"224194"	402.14354	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+3H2O+2H"	56.04448
"1509339"	435.18609	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+IsoProp+H"	61.06479
"418509"	405.097488	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+Na+K"	61.952376
"777318"	592.158138	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+Na+K"	61.952376
"1669276"	218.036838	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Na+K"	61.952376
"261265"	812.258368	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+ACN+Na"	64.015768
"1236161"	438.137068	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+ACN+Na"	64.015768
"1718487"	438.160593	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+NH4+HCOOH"	64.039293
"1187122"	147.696318	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+3Na"	68.967654
"1657017"	443.115988	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Na+HCOOH"	68.994688
"168253"	825.16164	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+2K-H"	76.91904
"605626"	1199.28294	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+2K-H"	76.91904
"1096340"	451.04034	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2K-H"	76.91904
"152425"	413.084458	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"2M+2K"	77.926316
"589799"	600.145108	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"3M+2K"	77.926316
"1074308"	226.023808	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2K"	77.926316
"1108614"	453.054892	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2K+H"	78.933592
"1344998"	453.142507	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+DMSO+H"	79.021207
"1008179"	457.181676	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2ACN+H"	83.060376
"1527277"	458.175308	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+IsoProp+Na+H"	84.054008
"995912"	229.094476	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+2ACN+2H"	84.067652
"1591507"	459.089928	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+K+HCOOH"	84.968628
"1416074"	489.121438	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+H+CF3COOH"	115.000138
"1160218"	249.607751	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+3ACN+2H"	125.094202
"1703570"	506.147985	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+NH4+CF3COOH"	132.026685
"1647973"	511.10338	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+Na+CF3COOH"	136.98208
"1583623"	527.07732	"C09800"	"Swertiamarin"	"C16H22O10"	"374.1213"	"M+K+CF3COOH"	152.95602
"804149"	422.1941	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M"	0
"980961"	403.17571	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-H2O-H"	-19.01839
"64109"	280.455457333333	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M-3H"	-3.021828
"507679"	421.186824	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M-3H"	-3.021828
"882564"	139.724090666667	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-3H"	-3.021828
"892"	421.186824	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M-2H"	-2.014552
"442152"	632.283874	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M-2H"	-2.014552
"817768"	210.089774	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-2H"	-2.014552
"80068"	843.380924	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M-H"	-1.007276
"520971"	1265.575024	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M-H"	-1.007276
"902053"	421.186824	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-H"	-1.007276
"48527"	860.407471	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M-2H+NH4"	16.019271
"494895"	1282.601571	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M-2H+NH4"	16.019271
"869418"	438.213371	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-2H+NH4"	16.019271
"34160"	865.362866	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M-2H+Na"	20.974666
"472259"	1287.556966	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M-2H+Na"	20.974666
"851403"	443.168766	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-2H+Na"	20.974666
"1624219"	443.168766	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Na-2H"	20.974666
"101842"	439.175163	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M-H+Cl"	33.962126
"547602"	650.272213	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M-H+Cl"	33.962126
"938198"	228.078113	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-H+Cl"	33.962126
"281148"	879.357602	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+Cl"	34.969402
"673317"	1301.551702	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+Cl"	34.969402
"1287064"	457.163502	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Cl"	34.969402
"30710"	881.336806	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M-2H+K"	36.948606
"469174"	1303.530906	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M-2H+K"	36.948606
"847343"	459.142706	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-2H+K"	36.948606
"1569369"	459.142706	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+K-2H"	36.948606
"956161"	467.192294	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-H+HCOOH"	44.998194
"372187"	889.386401	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+HCOOH-H"	44.998201
"357162"	903.402051	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+Hac-H"	59.013851
"1502720"	481.207951	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Hac-H"	59.013851
"969166"	489.174251	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-H+NaCOOH"	66.980151
"113698"	457.163502	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+2Cl"	69.938804
"553259"	668.260552	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+2Cl"	69.938804
"1029715"	246.066452	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2Cl"	69.938804
"1250387"	501.112985	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Br"	78.918885
"1317940"	503.168972	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Cl+HCOOH"	80.974872
"1331425"	525.150929	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Cl+NaCOOH"	102.956829
"925768"	535.179686	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M-H+CF3COOH"	112.985586
"1301382"	571.156364	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Cl+CF3COOH"	148.962264
"1374074"	387.181424	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H-2H2O"	-35.012676
"1390479"	405.1914	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H-H2O"	-17.0027
"292354"	845.395476	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+H"	1.007276
"690972"	1267.589576	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+H"	1.007276
"1362217"	423.201376	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H"	1.007276
"134011"	423.201376	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+2H"	2.014552
"566037"	634.298426	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+2H"	2.014552
"1051124"	212.104326	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2H"	2.014552
"218788"	282.470009333333	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+3H"	3.021828
"651301"	423.201376	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+3H"	3.021828
"1170885"	141.738642666667	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+3H"	3.021828
"434524"	862.422023	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+NH4"	18.033823
"792965"	1284.616123	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+NH4"	18.033823
"1692943"	440.227923	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+NH4"	18.033823
"337211"	431.7146495	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+H+NH4"	19.041099
"733639"	642.8116995	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+H+NH4"	19.041099
"1484179"	220.6175995	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H+NH4"	19.041099
"401766"	867.377418	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+Na"	22.989218
"758389"	1289.571518	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+Na"	22.989218
"1605393"	445.183318	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Na"	22.989218
"319808"	434.192347	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+H+Na"	23.996494
"712227"	645.289397	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+H+Na"	23.996494
"1465681"	223.095297	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H+Na"	23.996494
"1057104"	149.065956666667	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2H+Na"	25.00377
"1262064"	455.227586	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+CH3OH+H"	33.033486
"382826"	883.351358	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+K"	38.963158
"743821"	1305.545458	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+K"	38.963158
"1544781"	461.157258	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+K"	38.963158
"304146"	442.179317	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+H+K"	39.970434
"698751"	653.276367	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+H+K"	39.970434
"1452570"	231.082267	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H+K"	39.970434
"241177"	886.422026	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+ACN+H"	42.033826
"1213885"	464.227926	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+ACN+H"	42.033826
"1204331"	232.617601	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+ACN+2H"	43.041102
"196107"	889.35936	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+2Na-H"	44.97116
"630566"	1311.55346	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+2Na-H"	44.97116
"1134073"	467.16526	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2Na-H"	44.97116
"177362"	445.183318	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+2Na"	45.978436
"618015"	656.280368	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+2Na"	45.978436
"1124438"	234.086268	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2Na"	45.978436
"1403953"	156.393270666667	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H+2Na"	46.985712
"1435703"	469.206846	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H+HCOOH"	47.012746
"222118"	450.21634	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+3H2O+2H"	56.04448
"1512004"	483.25889	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+IsoProp+H"	61.06479
"419714"	453.170288	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+Na+K"	61.952376
"779617"	664.267338	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+Na+K"	61.952376
"1678866"	242.073238	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Na+K"	61.952376
"257004"	908.403968	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+ACN+Na"	64.015768
"1232993"	486.209868	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+ACN+Na"	64.015768
"1717505"	486.233393	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+NH4+HCOOH"	64.039293
"1188329"	163.720584666667	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+3Na"	68.967654
"1659318"	491.188788	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Na+HCOOH"	68.994688
"166180"	921.30724	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+2K-H"	76.91904
"604649"	1343.50134	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+2K-H"	76.91904
"1094625"	499.11314	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2K-H"	76.91904
"153263"	461.157258	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"2M+2K"	77.926316
"589908"	672.254308	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"3M+2K"	77.926316
"1076609"	250.060208	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2K"	77.926316
"1104351"	501.127692	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2K+H"	78.933592
"1344017"	501.215307	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+DMSO+H"	79.021207
"1009265"	505.254476	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2ACN+H"	83.060376
"1526296"	506.248108	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+IsoProp+Na+H"	84.054008
"992744"	253.130876	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+2ACN+2H"	84.067652
"1592715"	507.162728	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+K+HCOOH"	84.968628
"1417281"	537.194238	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+H+CF3COOH"	115.000138
"1154131"	273.644151	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+3ACN+2H"	125.094202
"1702587"	554.220785	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+NH4+CF3COOH"	132.026685
"1644803"	559.17618	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+Na+CF3COOH"	136.98208
"1583733"	575.15012	"C09801"	"Valtratum;Valtrate"	"C22H30O8"	"422.1941"	"M+K+CF3COOH"	152.95602
"805352"	388.1369	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M"	0
"979978"	369.11851	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-H2O-H"	-19.01839
"69321"	257.750657333333	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M-3H"	-3.021828
"504505"	387.129624	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M-3H"	-3.021828
"885586"	128.371690666667	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-3H"	-3.021828
"7442"	387.129624	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M-2H"	-2.014552
"442993"	581.198074	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M-2H"	-2.014552
"818971"	193.061174	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-2H"	-2.014552
"80785"	775.266524	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M-H"	-1.007276
"521081"	1163.403424	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M-H"	-1.007276
"902163"	387.129624	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-H"	-1.007276
"48274"	792.293071	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M-2H+NH4"	16.019271
"493912"	1180.429971	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M-2H+NH4"	16.019271
"869528"	404.156171	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-2H+NH4"	16.019271
"34149"	797.248466	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M-2H+Na"	20.974666
"472856"	1185.385366	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M-2H+Na"	20.974666
"851513"	409.111566	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-2H+Na"	20.974666
"1623236"	409.111566	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Na-2H"	20.974666
"100859"	405.117963	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M-H+Cl"	33.962126
"548441"	599.186413	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M-H+Cl"	33.962126
"935028"	211.049513	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-H+Cl"	33.962126
"282468"	811.243202	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+Cl"	34.969402
"675414"	1199.380102	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+Cl"	34.969402
"1288025"	423.106302	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Cl"	34.969402
"30779"	813.222406	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M-2H+K"	36.948606
"468920"	1201.359306	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M-2H+K"	36.948606
"847413"	425.085506	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-2H+K"	36.948606
"1570172"	425.085506	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+K-2H"	36.948606
"957002"	433.135094	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-H+HCOOH"	44.998194
"375216"	821.272001	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+HCOOH-H"	44.998201
"360310"	835.287651	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+Hac-H"	59.013851
"1501736"	447.150751	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Hac-H"	59.013851
"964901"	455.117051	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-H+NaCOOH"	66.980151
"114901"	423.106302	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+2Cl"	69.938804
"553369"	617.174752	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+2Cl"	69.938804
"1030918"	229.037852	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2Cl"	69.938804
"1251226"	467.055785	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Br"	78.918885
"1318050"	469.111772	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Cl+HCOOH"	80.974872
"1332993"	491.093729	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Cl+NaCOOH"	102.956829
"925514"	501.122486	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M-H+CF3COOH"	112.985586
"1301491"	537.099164	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Cl+CF3COOH"	148.962264
"1369081"	353.124224	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H-2H2O"	-35.012676
"1388402"	371.1342	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H-H2O"	-17.0027
"293557"	777.281076	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+H"	1.007276
"689260"	1165.417976	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+H"	1.007276
"1362327"	389.144176	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H"	1.007276
"135214"	389.144176	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+2H"	2.014552
"568576"	583.212626	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+2H"	2.014552
"1050141"	195.075726	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2H"	2.014552
"216947"	259.765209333333	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+3H"	3.021828
"646307"	389.144176	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+3H"	3.021828
"1171361"	130.386242666667	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+3H"	3.021828
"433540"	794.307623	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+NH4"	18.033823
"793803"	1182.444523	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+NH4"	18.033823
"1690866"	406.170723	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+NH4"	18.033823
"339144"	397.6574495	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+H+NH4"	19.041099
"732656"	591.7258995	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+H+NH4"	19.041099
"1484289"	203.5889995	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H+NH4"	19.041099
"401876"	799.263018	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+Na"	22.989218
"758499"	1187.399918	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+Na"	22.989218
"1604411"	411.126118	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Na"	22.989218
"316637"	400.135147	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+H+Na"	23.996494
"710150"	594.203597	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+H+Na"	23.996494
"1469433"	206.066697	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H+Na"	23.996494
"1058305"	137.713556666667	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2H+Na"	25.00377
"1262174"	421.170386	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+CH3OH+H"	33.033486
"384032"	815.236958	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+K"	38.963158
"742839"	1203.373858	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+K"	38.963158
"1545985"	427.100058	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+K"	38.963158
"304257"	408.122117	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+H+K"	39.970434
"698862"	602.190567	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+H+K"	39.970434
"1450494"	214.053667	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H+K"	39.970434
"238005"	818.307626	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+ACN+H"	42.033826
"1213995"	430.170726	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+ACN+H"	42.033826
"1204441"	215.589001	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+ACN+2H"	43.041102
"195124"	821.24496	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+2Na-H"	44.97116
"632499"	1209.38186	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+2Na-H"	44.97116
"1134911"	433.10806	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2Na-H"	44.97116
"181482"	411.126118	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+2Na"	45.978436
"618856"	605.194568	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+2Na"	45.978436
"1124548"	217.057668	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2Na"	45.978436
"1404794"	145.040870666667	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H+2Na"	46.985712
"1436907"	435.149646	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H+HCOOH"	47.012746
"223322"	416.15914	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+3H2O+2H"	56.04448
"1513573"	449.20169	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+IsoProp+H"	61.06479
"419824"	419.113088	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+Na+K"	61.952376
"779727"	613.181538	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+Na+K"	61.952376
"1678248"	225.044638	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Na+K"	61.952376
"254927"	840.289568	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+ACN+Na"	64.015768
"1234196"	452.152668	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+ACN+Na"	64.015768
"1716521"	452.176193	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+NH4+HCOOH"	64.039293
"1190626"	152.368184666667	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+3Na"	68.967654
"1659428"	457.131588	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Na+HCOOH"	68.994688
"166289"	853.19284	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+2K-H"	76.91904
"604759"	1241.32974	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+2K-H"	76.91904
"1094735"	465.05594	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2K-H"	76.91904
"154466"	427.100058	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"2M+2K"	77.926316
"593300"	621.168508	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"3M+2K"	77.926316
"1076719"	233.031608	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2K"	77.926316
"1105554"	467.070492	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2K+H"	78.933592
"1347407"	467.158107	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+DMSO+H"	79.021207
"1007430"	471.197276	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2ACN+H"	83.060376
"1525675"	472.190908	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+IsoProp+Na+H"	84.054008
"995040"	236.102276	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+2ACN+2H"	84.067652
"1592825"	473.105528	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+K+HCOOH"	84.968628
"1420671"	503.137038	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+H+CF3COOH"	115.000138
"1155334"	256.615551	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+3ACN+2H"	125.094202
"1702697"	520.163585	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+NH4+CF3COOH"	132.026685
"1644913"	525.11898	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+Na+CF3COOH"	136.98208
"1583843"	541.09292	"C09802"	"Verbenalin;Cornin (glycoside)"	"C17H24O10"	"388.1369"	"M+K+CF3COOH"	152.95602
"805462"	450.1162	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M"	0
"975712"	431.09781	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-H2O-H"	-19.01839
"70524"	299.070190666667	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M-3H"	-3.021828
"504979"	449.108924	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M-3H"	-3.021828
"885696"	149.031457333333	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-3H"	-3.021828
"7552"	449.108924	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M-2H"	-2.014552
"443831"	674.167024	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M-2H"	-2.014552
"821638"	224.050824	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-2H"	-2.014552
"80900"	899.225124	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M-H"	-1.007276
"521191"	1349.341324	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M-H"	-1.007276
"902273"	449.108924	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-H"	-1.007276
"48993"	916.251671	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M-2H+NH4"	16.019271
"494022"	1366.367871	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M-2H+NH4"	16.019271
"868545"	466.135471	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-2H+NH4"	16.019271
"35352"	921.207066	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M-2H+Na"	20.974666
"473817"	1371.323266	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M-2H+Na"	20.974666
"849557"	471.090866	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-2H+Na"	20.974666
"1623346"	471.090866	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Na-2H"	20.974666
"97686"	467.097263	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M-H+Cl"	33.962126
"544903"	692.155363	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M-H+Cl"	33.962126
"939514"	242.039163	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-H+Cl"	33.962126
"282784"	935.201802	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+Cl"	34.969402
"675638"	1385.318002	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+Cl"	34.969402
"1287771"	485.085602	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Cl"	34.969402
"31261"	937.181006	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M-2H+K"	36.948606
"470492"	1387.297206	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M-2H+K"	36.948606
"846105"	487.064806	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-2H+K"	36.948606
"1569593"	487.064806	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+K-2H"	36.948606
"957114"	495.114394	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-H+HCOOH"	44.998194
"374965"	945.230601	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+HCOOH-H"	44.998201
"359573"	959.246251	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+Hac-H"	59.013851
"1499660"	509.130051	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Hac-H"	59.013851
"965011"	517.096351	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-H+NaCOOH"	66.980151
"121938"	485.085602	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+2Cl"	69.938804
"553479"	710.143702	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+2Cl"	69.938804
"1029935"	260.027502	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2Cl"	69.938804
"1251336"	529.035085	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Br"	78.918885
"1319253"	531.091072	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Cl+HCOOH"	80.974872
"1333831"	553.073029	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Cl+NaCOOH"	102.956829
"925625"	563.101786	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M-H+CF3COOH"	112.985586
"1300508"	599.078464	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Cl+CF3COOH"	148.962264
"1369191"	415.103524	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H-2H2O"	-35.012676
"1391793"	433.1135	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H-H2O"	-17.0027
"294760"	901.239676	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+H"	1.007276
"684994"	1351.355876	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+H"	1.007276
"1361344"	451.123476	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H"	1.007276
"134231"	451.123476	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+2H"	2.014552
"566864"	676.181576	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+2H"	2.014552
"1050251"	226.065376	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2H"	2.014552
"215964"	301.084742666667	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+3H"	3.021828
"652252"	451.123476	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+3H"	3.021828
"1169284"	151.046009333333	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+3H"	3.021828
"429275"	918.266223	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+NH4"	18.033823
"794643"	1368.382423	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+NH4"	18.033823
"1688789"	468.150023	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+NH4"	18.033823
"335974"	459.6367495	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+H+NH4"	19.041099
"731672"	684.6948495	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+H+NH4"	19.041099
"1489866"	234.5786495	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H+NH4"	19.041099
"407452"	923.221618	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+Na"	22.989218
"758609"	1373.337818	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+Na"	22.989218
"1605615"	473.105418	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Na"	22.989218
"315043"	462.114447	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+H+Na"	23.996494
"708919"	687.172547	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+H+Na"	23.996494
"1464079"	237.056347	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H+Na"	23.996494
"1055867"	158.373323333333	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2H+Na"	25.00377
"1262285"	483.149686	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+CH3OH+H"	33.033486
"383048"	939.195558	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+K"	38.963158
"742219"	1389.311758	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+K"	38.963158
"1546094"	489.079358	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+K"	38.963158
"307644"	470.101417	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+H+K"	39.970434
"697879"	695.159517	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+H+K"	39.970434
"1450604"	245.043317	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H+K"	39.970434
"235962"	942.266226	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+ACN+H"	42.033826
"1210247"	492.150026	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+ACN+H"	42.033826
"1194581"	246.578651	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+ACN+2H"	43.041102
"189188"	945.20356	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+2Na-H"	44.97116
"638077"	1395.31976	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+2Na-H"	44.97116
"1141585"	495.08736	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2Na-H"	44.97116
"183782"	473.105418	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+2Na"	45.978436
"624436"	698.163518	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+2Na"	45.978436
"1124658"	248.047318	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2Na"	45.978436
"1407092"	165.700637333333	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H+2Na"	46.985712
"1434830"	497.128946	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H+HCOOH"	47.012746
"224160"	478.13844	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+3H2O+2H"	56.04448
"1512224"	511.18099	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+IsoProp+H"	61.06479
"419570"	481.092388	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+Na+K"	61.952376
"780566"	706.150488	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+Na+K"	61.952376
"1677262"	256.034288	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Na+K"	61.952376
"261599"	964.248168	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+ACN+Na"	64.015768
"1238681"	514.131968	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+ACN+Na"	64.015768
"1722101"	514.155493	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+NH4+HCOOH"	64.039293
"1190738"	173.027951333333	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+3Na"	68.967654
"1661725"	519.110888	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Na+HCOOH"	68.994688
"167494"	977.15144	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+2K-H"	76.91904
"607421"	1427.26764	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+2K-H"	76.91904
"1094847"	527.03524	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2K-H"	76.91904
"152394"	489.079358	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"2M+2K"	77.926316
"593049"	714.137458	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"3M+2K"	77.926316
"1081936"	264.021258	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2K"	77.926316
"1112955"	529.049792	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2K+H"	78.933592
"1348247"	529.137407	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+DMSO+H"	79.021207
"1007540"	533.176576	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2ACN+H"	83.060376
"1526515"	534.170208	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+IsoProp+Na+H"	84.054008
"994057"	267.091926	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+2ACN+2H"	84.067652
"1594028"	535.084828	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+K+HCOOH"	84.968628
"1420781"	565.116338	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+H+CF3COOH"	115.000138
"1155444"	287.605201	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+3ACN+2H"	125.094202
"1702807"	582.142885	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+NH4+CF3COOH"	132.026685
"1646116"	587.09828	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+Na+CF3COOH"	136.98208
"1583953"	603.07222	"C09803"	"Neoastilbin;(2S3S)-Taxifolin 3-rhamnoside"	"C21H22O11"	"450.1162"	"M+K+CF3COOH"	152.95602
"807759"	168.115	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M"	0
"978010"	149.09661	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"67354"	111.069390666667	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"506912"	167.107724	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"886900"	55.0310573333333	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"13128"	167.107724	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"445035"	251.165224	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"820650"	83.050224	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"83924"	335.222724	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"521298"	503.337724	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"899099"	167.107724	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"56752"	352.249271	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"494125"	520.364271	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"867554"	184.134271	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"32412"	357.204666	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"473924"	525.319666	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"862663"	189.089666	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1627819"	189.089666	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"97795"	185.096063	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"542826"	269.153563	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"939624"	101.038563	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"282284"	371.199402	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"675567"	539.314402	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1288319"	203.084402	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"31270"	373.178606	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"471332"	541.293606	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"846215"	205.063606	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1569338"	205.063606	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"957463"	213.113194	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"374345"	381.228201	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"356408"	395.243851	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1504873"	227.128851	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"965121"	235.095151	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"121684"	203.084402	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"556869"	287.141902	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1029681"	119.026902	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1252540"	247.033885	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1319363"	249.089872	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1331755"	271.071829	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"925370"	281.100586	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1300618"	317.077264	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1369301"	133.102324	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1391903"	151.1123	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"294870"	337.237276	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"685104"	505.352276	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1360361"	169.122276	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H"	1.007276
"134341"	169.122276	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"567703"	253.179776	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1049268"	85.064776	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"218261"	113.083942666667	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"650174"	169.122276	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1170487"	57.0456093333333	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"430480"	354.263823	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"794753"	522.378823	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1687805"	186.148823	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"333897"	177.6355495	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"732875"	261.6930495	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1489976"	93.5780495	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"402096"	359.219218	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"758719"	527.334218	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1603091"	191.104218	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"316127"	180.113247	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"708182"	264.170747	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1465288"	96.055747	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1057435"	64.3729233333333	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1260209"	201.148486	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"379148"	375.193158	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"746341"	543.308158	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1547298"	207.078158	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+K"	38.963158
"307754"	188.100217	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"696896"	272.157717	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1450714"	104.042717	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"236074"	378.263826	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1210520"	210.148826	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1194481"	105.578051	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"189054"	381.20116	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"632715"	549.31616	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1137319"	213.08616	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"184620"	191.104218	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624545"	275.161718	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1122583"	107.046718	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1407203"	71.7002373333333	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1437128"	215.127746	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"222812"	196.13724	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1511971"	229.17979	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"418951"	199.091188	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"781040"	283.148688	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1677008"	115.033688	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"262803"	400.245768	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1238792"	232.130768	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1722211"	232.154293	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1189391"	79.0275513333333	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1654545"	237.109688	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"167604"	413.14904	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"603886"	581.26404	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1093501"	245.03404	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"151775"	207.078158	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"592793"	291.135658	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1082047"	123.020658	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1111973"	247.048592	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1347265"	247.136207	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1007529"	251.175376	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1525895"	252.169008	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"991980"	126.091326	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1594138"	253.083628	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1420891"	283.115138	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1154460"	146.604601	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1702917"	300.141685	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1646226"	305.09708	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1584063"	321.07102	"C09804"	"cis-trans-Nepetalactol;cis-trans-Iridodial lactol"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"807869"	596.1741	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M"	0
"976417"	577.15571	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-H2O-H"	-19.01839
"71837"	396.442124	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M-3H"	-3.021828
"508115"	595.166824	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M-3H"	-3.021828
"890290"	197.717424	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-3H"	-3.021828
"13238"	595.166824	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M-2H"	-2.014552
"444051"	893.253874	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M-2H"	-2.014552
"820394"	297.079774	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-2H"	-2.014552
"82940"	1191.340924	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M-H"	-1.007276
"520434"	1787.515024	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M-H"	-1.007276
"900302"	595.166824	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-H"	-1.007276
"50300"	1208.367471	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M-2H+NH4"	16.019271
"494235"	1804.541571	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M-2H+NH4"	16.019271
"868757"	612.193371	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-2H+NH4"	16.019271
"33249"	1213.322866	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M-2H+Na"	20.974666
"474034"	1809.496966	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M-2H+Na"	20.974666
"859492"	617.148766	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-2H+Na"	20.974666
"1624649"	617.148766	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Na-2H"	20.974666
"95348"	613.155163	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M-H+Cl"	33.962126
"541835"	911.242213	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M-H+Cl"	33.962126
"932068"	315.068113	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-H+Cl"	33.962126
"273904"	1227.317602	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+Cl"	34.969402
"671805"	1823.491702	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+Cl"	34.969402
"1286394"	631.143502	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Cl"	34.969402
"26765"	1229.296806	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M-2H+K"	36.948606
"467055"	1825.470906	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M-2H+K"	36.948606
"845223"	633.122706	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-2H+K"	36.948606
"1570663"	633.122706	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+K-2H"	36.948606
"958060"	641.172294	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-H+HCOOH"	44.998194
"374819"	1237.346401	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+HCOOH-H"	44.998201
"358339"	1251.362051	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+Hac-H"	59.013851
"1507899"	655.187951	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Hac-H"	59.013851
"964138"	663.154251	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-H+NaCOOH"	66.980151
"114138"	631.143502	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+2Cl"	69.938804
"556979"	929.230552	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+2Cl"	69.938804
"1034163"	333.056452	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2Cl"	69.938804
"1249731"	675.092985	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Br"	78.918885
"1319110"	677.148972	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Cl+HCOOH"	80.974872
"1334538"	699.130929	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Cl+NaCOOH"	102.956829
"925115"	709.159686	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M-H+CF3COOH"	112.985586
"1299635"	745.136364	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Cl+CF3COOH"	148.962264
"1369411"	561.161424	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H-2H2O"	-35.012676
"1392013"	579.1714	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H-H2O"	-17.0027
"296073"	1193.355476	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+H"	1.007276
"685214"	1789.529576	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+H"	1.007276
"1362656"	597.181376	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H"	1.007276
"135544"	597.181376	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+2H"	2.014552
"569635"	895.268426	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+2H"	2.014552
"1051564"	299.094326	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2H"	2.014552
"216184"	398.456676	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+3H"	3.021828
"648096"	597.181376	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+3H"	3.021828
"1170596"	199.731976	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+3H"	3.021828
"430590"	1210.382023	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+NH4"	18.033823
"794862"	1806.556123	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+NH4"	18.033823
"1686821"	614.207923	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+NH4"	18.033823
"337287"	605.6946495	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+H+NH4"	19.041099
"731891"	903.7816995	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+H+NH4"	19.041099
"1488991"	307.6075995	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H+NH4"	19.041099
"402206"	1215.337418	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+Na"	22.989218
"755548"	1811.511518	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+Na"	22.989218
"1606928"	619.163318	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Na"	22.989218
"319152"	608.172347	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+H+Na"	23.996494
"709750"	906.259397	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+H+Na"	23.996494
"1465398"	310.085297	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H+Na"	23.996494
"1060825"	207.05929	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2H+Na"	25.00377
"1264692"	629.207586	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+CH3OH+H"	33.033486
"383266"	1231.311358	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+K"	38.963158
"749730"	1827.485458	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+K"	38.963158
"1550687"	635.137258	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+K"	38.963158
"308958"	616.159317	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+H+K"	39.970434
"702472"	914.246367	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+H+K"	39.970434
"1450824"	318.072267	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H+K"	39.970434
"236628"	1234.382026	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+ACN+H"	42.033826
"1210667"	638.207926	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+ACN+H"	42.033826
"1195653"	319.607601	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+ACN+2H"	43.041102
"189245"	1237.31936	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+2Na-H"	44.97116
"633554"	1833.49346	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+2Na-H"	44.97116
"1136332"	641.14526	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2Na-H"	44.97116
"181811"	619.163318	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+2Na"	45.978436
"621374"	917.250368	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+2Na"	45.978436
"1124877"	321.076268	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2Na"	45.978436
"1407311"	214.386604	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H+2Na"	46.985712
"1435053"	643.186846	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H+HCOOH"	47.012746
"229120"	624.19634	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+3H2O+2H"	56.04448
"1511715"	657.23889	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+IsoProp+H"	61.06479
"420154"	627.150288	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+Na+K"	61.952376
"780057"	925.237338	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+Na+K"	61.952376
"1677482"	329.063238	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Na+K"	61.952376
"260725"	1256.363968	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+ACN+Na"	64.015768
"1236353"	660.189868	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+ACN+Na"	64.015768
"1720134"	660.213393	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+NH4+HCOOH"	64.039293
"1186222"	221.713918	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+3Na"	68.967654
"1652832"	665.168788	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Na+HCOOH"	68.994688
"164435"	1269.26724	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+2K-H"	76.91904
"602538"	1865.44134	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+2K-H"	76.91904
"1092153"	673.09314	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2K-H"	76.91904
"150429"	635.137258	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"2M+2K"	77.926316
"591811"	933.224308	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"3M+2K"	77.926316
"1080698"	337.050208	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2K"	77.926316
"1111720"	675.107692	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2K+H"	78.933592
"1348833"	675.195307	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+DMSO+H"	79.021207
"1007518"	679.234476	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2ACN+H"	83.060376
"1524379"	680.228108	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+IsoProp+Na+H"	84.054008
"990102"	340.120876	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+2ACN+2H"	84.067652
"1589874"	681.142728	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+K+HCOOH"	84.968628
"1418814"	711.174238	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+H+CF3COOH"	115.000138
"1150196"	360.634151	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+3ACN+2H"	125.094202
"1708493"	728.200785	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+NH4+CF3COOH"	132.026685
"1644149"	733.15618	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+Na+CF3COOH"	136.98208
"1584173"	749.13012	"C09805"	"Neoeriocitrin;Eriodictyol 7-O-neohesperidoside"	"C27H32O15"	"596.1741"	"M+K+CF3COOH"	152.95602
"804699"	610.1898	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M"	0
"976042"	591.17141	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-H2O-H"	-19.01839
"70854"	405.785924	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M-3H"	-3.021828
"508225"	609.182524	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M-3H"	-3.021828
"890400"	202.389324	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-3H"	-3.021828
"13348"	609.182524	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M-2H"	-2.014552
"442702"	914.277424	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M-2H"	-2.014552
"819412"	304.087624	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-2H"	-2.014552
"83050"	1219.372324	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M-H"	-1.007276
"519450"	1829.562124	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M-H"	-1.007276
"897496"	609.182524	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-H"	-1.007276
"47979"	1236.398871	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M-2H+NH4"	16.019271
"491065"	1846.588671	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M-2H+NH4"	16.019271
"867774"	626.209071	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-2H+NH4"	16.019271
"32264"	1241.354266	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M-2H+Na"	20.974666
"477424"	1851.544066	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M-2H+Na"	20.974666
"859601"	631.164466	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-2H+Na"	20.974666
"1623666"	631.164466	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Na-2H"	20.974666
"95336"	627.170863	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M-H+Cl"	33.962126
"539758"	932.265763	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M-H+Cl"	33.962126
"931085"	322.075963	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-H+Cl"	33.962126
"274014"	1255.349002	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+Cl"	34.969402
"671915"	1865.538802	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+Cl"	34.969402
"1286868"	645.159202	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Cl"	34.969402
"24686"	1257.328206	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M-2H+K"	36.948606
"465342"	1867.518006	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M-2H+K"	36.948606
"840958"	647.138406	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-2H+K"	36.948606
"1561166"	647.138406	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+K-2H"	36.948606
"949048"	655.187994	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-H+HCOOH"	44.998194
"371637"	1265.377801	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+HCOOH-H"	44.998201
"351146"	1279.393451	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+Hac-H"	59.013851
"1499976"	669.203651	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Hac-H"	59.013851
"972998"	677.169951	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-H+NaCOOH"	66.980151
"116435"	645.159202	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+2Cl"	69.938804
"557089"	950.254102	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+2Cl"	69.938804
"1035002"	340.064302	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2Cl"	69.938804
"1249841"	689.108685	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Br"	78.918885
"1318126"	691.164672	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Cl+HCOOH"	80.974872
"1334648"	713.146629	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Cl+NaCOOH"	102.956829
"924133"	723.175386	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M-H+CF3COOH"	112.985586
"1300838"	759.152064	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Cl+CF3COOH"	148.962264
"1371342"	575.177124	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H-2H2O"	-35.012676
"1395403"	593.1871	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H-H2O"	-17.0027
"289622"	1221.386876	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+H"	1.007276
"686417"	1831.576676	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+H"	1.007276
"1356205"	611.197076	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H"	1.007276
"134561"	611.197076	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+2H"	2.014552
"569745"	916.291976	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+2H"	2.014552
"1048033"	306.102176	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2H"	2.014552
"215568"	407.800476	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+3H"	3.021828
"648206"	611.197076	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+3H"	3.021828
"1165239"	204.403876	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+3H"	3.021828
"432884"	1238.413423	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+NH4"	18.033823
"792787"	1848.603223	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+NH4"	18.033823
"1686932"	628.223623	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+NH4"	18.033823
"336303"	619.7103495	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+H+NH4"	19.041099
"732002"	924.8052495	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+H+NH4"	19.041099
"1482542"	314.6154495	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H+NH4"	19.041099
"405594"	1243.368818	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+Na"	22.989218
"757845"	1853.558618	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+Na"	22.989218
"1603270"	633.179018	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Na"	22.989218
"321448"	622.188047	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+H+Na"	23.996494
"709498"	927.282947	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+H+Na"	23.996494
"1464410"	317.093147	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H+Na"	23.996494
"1058749"	211.73119	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2H+Na"	25.00377
"1261521"	643.223286	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+CH3OH+H"	33.033486
"382283"	1259.342758	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+K"	38.963158
"745463"	1869.532558	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+K"	38.963158
"1548610"	649.152958	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+K"	38.963158
"299709"	630.175017	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+H+K"	39.970434
"691764"	935.269917	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+H+K"	39.970434
"1447652"	325.080117	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H+K"	39.970434
"235776"	1262.413426	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+ACN+H"	42.033826
"1210414"	652.223626	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+ACN+H"	42.033826
"1194902"	326.615451	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+ACN+2H"	43.041102
"188947"	1265.35076	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+2Na-H"	44.97116
"628837"	1875.54056	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+2Na-H"	44.97116
"1133159"	655.16096	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2Na-H"	44.97116
"180825"	633.179018	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+2Na"	45.978436
"622576"	938.273918	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+2Na"	45.978436
"1123895"	328.084118	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2Na"	45.978436
"1409607"	219.058504	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H+2Na"	46.985712
"1439537"	657.202546	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H+HCOOH"	47.012746
"225220"	638.21204	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+3H2O+2H"	56.04448
"1510002"	671.25459	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+IsoProp+H"	61.06479
"421357"	641.165988	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+Na+K"	61.952376
"781260"	946.260888	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+Na+K"	61.952376
"1677592"	336.071088	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Na+K"	61.952376
"258648"	1284.395368	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+ACN+Na"	64.015768
"1236099"	674.205568	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+ACN+Na"	64.015768
"1722430"	674.229093	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+NH4+HCOOH"	64.039293
"1187791"	226.385818	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+3Na"	68.967654
"1653672"	679.184488	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Na+HCOOH"	68.994688
"165639"	1297.29864	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+2K-H"	76.91904
"602648"	1907.48844	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+2K-H"	76.91904
"1095545"	687.10884	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2K-H"	76.91904
"151268"	649.152958	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"2M+2K"	77.926316
"592650"	954.247858	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"3M+2K"	77.926316
"1082875"	344.058058	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2K"	77.926316
"1112194"	689.123392	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2K+H"	78.933592
"1346755"	689.211007	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+DMSO+H"	79.021207
"1008721"	693.250176	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2ACN+H"	83.060376
"1524332"	694.243808	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+IsoProp+Na+H"	84.054008
"990862"	347.128726	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+2ACN+2H"	84.067652
"1589984"	695.158428	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+K+HCOOH"	84.968628
"1418924"	725.189938	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+H+CF3COOH"	115.000138
"1150306"	367.642001	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+3ACN+2H"	125.094202
"1708603"	742.216485	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+NH4+CF3COOH"	132.026685
"1644259"	747.17188	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+Na+CF3COOH"	136.98208
"1584283"	763.14582	"C09806"	"Neohesperidin;Hesperetin 7-O-neohesperidoside"	"C28H34O15"	"610.1898"	"M+K+CF3COOH"	152.95602
"808089"	302.1154	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M"	0
"975424"	283.09701	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-H2O-H"	-19.01839
"69870"	200.402990666667	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M-3H"	-3.021828
"509429"	301.108124	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M-3H"	-3.021828
"890510"	99.6978573333333	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-3H"	-3.021828
"6898"	301.108124	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M-2H"	-2.014552
"441354"	452.165824	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M-2H"	-2.014552
"822075"	150.050424	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-2H"	-2.014552
"81338"	603.223524	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M-H"	-1.007276
"518709"	905.338924	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M-H"	-1.007276
"896876"	301.108124	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-H"	-1.007276
"47725"	620.250071	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M-2H+NH4"	16.019271
"489110"	922.365471	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M-2H+NH4"	16.019271
"867884"	318.134671	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-2H+NH4"	16.019271
"31616"	625.205466	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M-2H+Na"	20.974666
"476441"	927.320866	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M-2H+Na"	20.974666
"859712"	323.090066	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-2H+Na"	20.974666
"1625963"	323.090066	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Na-2H"	20.974666
"101400"	319.096463	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M-H+Cl"	33.962126
"544242"	470.154163	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M-H+Cl"	33.962126
"930102"	168.038763	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-H+Cl"	33.962126
"271937"	639.200202	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+Cl"	34.969402
"674092"	941.315602	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+Cl"	34.969402
"1287831"	337.084802	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Cl"	34.969402
"25890"	641.179406	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M-2H+K"	36.948606
"467640"	943.294806	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M-2H+K"	36.948606
"843985"	339.064006	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-2H+K"	36.948606
"1565650"	339.064006	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+K-2H"	36.948606
"953532"	347.113594	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-H+HCOOH"	44.998194
"369558"	649.229001	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+HCOOH-H"	44.998201
"350161"	663.244651	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+Hac-H"	59.013851
"1496807"	361.129251	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Hac-H"	59.013851
"969454"	369.095551	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-H+NaCOOH"	66.980151
"116537"	337.084802	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+2Cl"	69.938804
"556101"	488.142502	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+2Cl"	69.938804
"1024900"	186.027102	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2Cl"	69.938804
"1243748"	381.034285	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Br"	78.918885
"1305831"	383.090272	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Cl+HCOOH"	80.974872
"1324423"	405.072229	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Cl+NaCOOH"	102.956829
"915481"	415.100986	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M-H+CF3COOH"	112.985586
"1296571"	451.077664	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Cl+CF3COOH"	148.962264
"1372543"	267.102724	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H-2H2O"	-35.012676
"1388944"	285.1127	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H-H2O"	-17.0027
"284987"	605.238076	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+H"	1.007276
"676682"	907.353476	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+H"	1.007276
"1351417"	303.122676	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H"	1.007276
"126278"	303.122676	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+2H"	2.014552
"568753"	454.180376	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+2H"	2.014552
"1043030"	152.064976	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2H"	2.014552
"210931"	202.417542666667	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+3H"	3.021828
"648305"	303.122676	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+3H"	3.021828
"1172999"	101.712409333333	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+3H"	3.021828
"432988"	622.264623	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+NH4"	18.033823
"793984"	924.380023	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+NH4"	18.033823
"1687399"	320.149223	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+NH4"	18.033823
"333488"	311.6359495	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+H+NH4"	19.041099
"728101"	462.6936495	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+H+NH4"	19.041099
"1481922"	160.5782495	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H+NH4"	19.041099
"399143"	627.220018	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+Na"	22.989218
"759048"	929.335418	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+Na"	22.989218
"1607146"	325.104618	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Na"	22.989218
"321558"	314.113647	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+H+Na"	23.996494
"710701"	465.171347	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+H+Na"	23.996494
"1463548"	163.055947	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H+Na"	23.996494
"1055580"	109.039723333333	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2H+Na"	25.00377
"1260539"	335.148886	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+CH3OH+H"	33.033486
"383486"	643.193958	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+K"	38.963158
"743387"	945.309358	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+K"	38.963158
"1543252"	341.078558	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+K"	38.963158
"299698"	322.100617	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+H+K"	39.970434
"692483"	473.158317	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+H+K"	39.970434
"1446303"	171.042917	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H+K"	39.970434
"235911"	646.264626	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+ACN+H"	42.033826
"1210158"	344.149226	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+ACN+H"	42.033826
"1194772"	172.578251	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+ACN+2H"	43.041102
"188899"	649.20196	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+2Na-H"	44.97116
"629026"	951.31736	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+2Na-H"	44.97116
"1134362"	347.08656	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2Na-H"	44.97116
"181664"	325.104618	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+2Na"	45.978436
"620860"	476.162318	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+2Na"	45.978436
"1124367"	174.046918	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2Na"	45.978436
"1410443"	116.367037333333	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H+2Na"	46.985712
"1437458"	349.128146	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H+HCOOH"	47.012746
"228247"	330.13764	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+3H2O+2H"	56.04448
"1513030"	363.18019	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+IsoProp+H"	61.06479
"410527"	333.091588	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+Na+K"	61.952376
"782464"	484.149288	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+Na+K"	61.952376
"1673327"	182.033888	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Na+K"	61.952376
"259119"	668.246568	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+ACN+Na"	64.015768
"1232559"	366.131168	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+ACN+Na"	64.015768
"1718163"	366.154693	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+NH4+HCOOH"	64.039293
"1190448"	123.694351333333	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+3Na"	68.967654
"1661072"	371.110088	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Na+HCOOH"	68.994688
"162466"	681.14984	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+2K-H"	76.91904
"604944"	983.26524	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+2K-H"	76.91904
"1095653"	379.03444	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2K-H"	76.91904
"151740"	341.078558	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"2M+2K"	77.926316
"592758"	492.136258	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"3M+2K"	77.926316
"1083106"	190.020858	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2K"	77.926316
"1113032"	381.048992	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2K+H"	78.933592
"1348322"	381.136607	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+DMSO+H"	79.021207
"1011018"	385.175776	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2ACN+H"	83.060376
"1525983"	386.169408	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+IsoProp+Na+H"	84.054008
"991216"	193.091526	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+2ACN+2H"	84.067652
"1588999"	387.084028	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+K+HCOOH"	84.968628
"1416118"	417.115538	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+H+CF3COOH"	115.000138
"1149686"	213.604801	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+3ACN+2H"	125.094202
"1705433"	434.142085	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+NH4+CF3COOH"	132.026685
"1644369"	439.09748	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+Na+CF3COOH"	136.98208
"1584393"	455.07142	"C09807"	"Odoratol"	"C17H18O5"	"302.1154"	"M+K+CF3COOH"	152.95602
"808199"	518.1788	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M"	0
"974595"	499.16041	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-H2O-H"	-19.01839
"67794"	344.445257333333	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M-3H"	-3.021828
"515006"	517.171524	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M-3H"	-3.021828
"890621"	171.718990666667	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-3H"	-3.021828
"7008"	517.171524	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M-2H"	-2.014552
"444382"	776.260924	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M-2H"	-2.014552
"822185"	258.082124	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-2H"	-2.014552
"82177"	1035.350324	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M-H"	-1.007276
"519427"	1553.529124	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M-H"	-1.007276
"897229"	517.171524	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-H"	-1.007276
"47247"	1052.376871	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M-2H+NH4"	16.019271
"489220"	1570.555671	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M-2H+NH4"	16.019271
"866901"	534.198071	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-2H+NH4"	16.019271
"31433"	1057.332266	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M-2H+Na"	20.974666
"477644"	1575.511066	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M-2H+Na"	20.974666
"862010"	539.153466	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-2H+Na"	20.974666
"1623887"	539.153466	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Na-2H"	20.974666
"101511"	535.159863	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M-H+Cl"	33.962126
"541070"	794.249263	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M-H+Cl"	33.962126
"932400"	276.070463	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-H+Cl"	33.962126
"272048"	1071.327002	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+Cl"	34.969402
"673227"	1589.505802	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+Cl"	34.969402
"1284536"	553.148202	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Cl"	34.969402
"24908"	1073.306206	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M-2H+K"	36.948606
"466654"	1591.485006	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M-2H+K"	36.948606
"844095"	555.127406	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-2H+K"	36.948606
"1565760"	555.127406	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+K-2H"	36.948606
"953642"	563.176994	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-H+HCOOH"	44.998194
"369669"	1081.355801	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+HCOOH-H"	44.998201
"352458"	1095.371451	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+Hac-H"	59.013851
"1500197"	577.192651	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Hac-H"	59.013851
"969564"	585.158951	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-H+NaCOOH"	66.980151
"116647"	553.148202	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+2Cl"	69.938804
"552200"	812.237602	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+2Cl"	69.938804
"1023916"	294.058802	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2Cl"	69.938804
"1242401"	597.097685	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Br"	78.918885
"1308125"	599.153672	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Cl+HCOOH"	80.974872
"1322346"	621.135629	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Cl+NaCOOH"	102.956829
"914496"	631.164386	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M-H+CF3COOH"	112.985586
"1299961"	667.141064	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Cl+CF3COOH"	148.962264
"1373747"	483.166124	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H-2H2O"	-35.012676
"1384681"	501.1761	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H-H2O"	-17.0027
"285098"	1037.364876	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+H"	1.007276
"678980"	1555.543676	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+H"	1.007276
"1354232"	519.186076	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H"	1.007276
"126023"	519.186076	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+2H"	2.014552
"566678"	778.275476	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+2H"	2.014552
"1043140"	260.096676	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2H"	2.014552
"212134"	346.459809333333	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+3H"	3.021828
"651695"	519.186076	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+3H"	3.021828
"1173109"	173.733542666667	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+3H"	3.021828
"431276"	1054.391423	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+NH4"	18.033823
"794095"	1572.570223	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+NH4"	18.033823
"1689332"	536.212623	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+NH4"	18.033823
"336150"	527.6993495	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+H+NH4"	19.041099
"730034"	786.7887495	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+H+NH4"	19.041099
"1480575"	268.6099495	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H+NH4"	19.041099
"399253"	1059.346818	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+Na"	22.989218
"763532"	1577.525618	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+Na"	22.989218
"1612724"	541.168018	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Na"	22.989218
"317294"	530.177047	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+H+Na"	23.996494
"712996"	789.266447	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+H+Na"	23.996494
"1466816"	271.087647	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H+Na"	23.996494
"1060061"	181.060856666667	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2H+Na"	25.00377
"1262833"	551.212286	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+CH3OH+H"	33.033486
"387968"	1075.320758	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+K"	38.963158
"745686"	1593.499558	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+K"	38.963158
"1543361"	557.141958	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+K"	38.963158
"299077"	538.164017	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+H+K"	39.970434
"692227"	797.253417	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+H+K"	39.970434
"1445966"	279.074617	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H+K"	39.970434
"238657"	1078.391426	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+ACN+H"	42.033826
"1210018"	560.212626	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+ACN+H"	42.033826
"1194240"	280.609951	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+ACN+2H"	43.041102
"188690"	1081.32876	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+2Na-H"	44.97116
"629493"	1599.50756	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+2Na-H"	44.97116
"1131404"	563.14996	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2Na-H"	44.97116
"173008"	541.168018	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+2Na"	45.978436
"621701"	800.257418	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+2Na"	45.978436
"1124113"	282.078618	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2Na"	45.978436
"1403261"	188.388170666667	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H+2Na"	46.985712
"1438662"	565.191546	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H+HCOOH"	47.012746
"232731"	546.20104	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+3H2O+2H"	56.04448
"1518607"	579.24359	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+IsoProp+H"	61.06479
"411004"	549.154988	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+Na+K"	61.952376
"782574"	808.244388	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+Na+K"	61.952376
"1674531"	290.065588	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Na+K"	61.952376
"258865"	1100.373368	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+ACN+Na"	64.015768
"1231576"	582.194568	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+ACN+Na"	64.015768
"1717909"	582.218093	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+NH4+HCOOH"	64.039293
"1186913"	195.715484666667	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+3Na"	68.967654
"1660087"	587.173488	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Na+HCOOH"	68.994688
"161483"	1113.27664	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+2K-H"	76.91904
"599951"	1631.45544	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+2K-H"	76.91904
"1089931"	595.09784	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2K-H"	76.91904
"150027"	557.141958	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"2M+2K"	77.926316
"587400"	816.231358	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"3M+2K"	77.926316
"1078110"	298.052558	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2K"	77.926316
"1108402"	597.112392	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2K+H"	78.933592
"1345879"	597.200007	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+DMSO+H"	79.021207
"1010033"	601.239176	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2ACN+H"	83.060376
"1527065"	602.232808	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+IsoProp+Na+H"	84.054008
"995700"	301.123226	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+2ACN+2H"	84.067652
"1590203"	603.147428	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+K+HCOOH"	84.968628
"1422424"	633.178938	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+H+CF3COOH"	115.000138
"1153805"	321.636501	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+3ACN+2H"	125.094202
"1706635"	650.205485	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+NH4+CF3COOH"	132.026685
"1643385"	655.16088	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+Na+CF3COOH"	136.98208
"1584503"	671.13482	"C09808"	"Phellamurin;8-Prenyldihydrokaempferol 7-glucoside"	"C26H30O11"	"518.1788"	"M+K+CF3COOH"	152.95602
"805029"	873.1571	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M"	0
"975031"	854.13871	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H2O-H"	-19.01839
"68997"	581.097457333333	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-3H"	-3.021828
"511836"	872.149824	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-3H"	-3.021828
"889637"	290.045090666667	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-3H"	-3.021828
"7118"	872.149824	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H"	-2.014552
"440482"	1308.728374	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H"	-2.014552
"819379"	435.571274	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H"	-2.014552
"81922"	1745.306924	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-H"	-1.007276
"518928"	2618.464024	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-H"	-1.007276
"897097"	872.149824	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H"	-1.007276
"47265"	1762.333471	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+NH4"	16.019271
"489209"	2635.490571	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+NH4"	16.019271
"868104"	889.176371	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+NH4"	16.019271
"31994"	1767.288866	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+Na"	20.974666
"479941"	2640.445966	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+Na"	20.974666
"859932"	894.131766	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+Na"	20.974666
"1626184"	894.131766	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na-2H"	20.974666
"102715"	890.138163	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-H+Cl"	33.962126
"543367"	1326.716713	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-H+Cl"	33.962126
"933602"	453.559613	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+Cl"	33.962126
"277625"	1781.283602	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Cl"	34.969402
"667869"	2654.440702	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+Cl"	34.969402
"1281365"	908.126502	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl"	34.969402
"25018"	1783.262806	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+K"	36.948606
"464577"	2656.419906	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+K"	36.948606
"842382"	910.105706	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+K"	36.948606
"1563683"	910.105706	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K-2H"	36.948606
"949376"	918.155294	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+HCOOH"	44.998194
"363580"	1791.312401	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+HCOOH-H"	44.998201
"350380"	1805.328051	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Hac-H"	59.013851
"1498117"	932.170951	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Hac-H"	59.013851
"964564"	940.137251	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+NaCOOH"	66.980151
"116025"	908.126502	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Cl"	69.938804
"550851"	1344.705052	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Cl"	69.938804
"1024389"	471.547952	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2Cl"	69.938804
"1242264"	952.075985	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Br"	78.918885
"1310421"	954.131972	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+HCOOH"	80.974872
"1321363"	976.113929	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+NaCOOH"	102.956829
"912784"	986.142686	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+CF3COOH"	112.985586
"1300071"	1022.119364	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+CF3COOH"	148.962264
"1373857"	838.144424	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H-2H2O"	-35.012676
"1390259"	856.1544	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H-H2O"	-17.0027
"286666"	1747.321476	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H"	1.007276
"677266"	2620.478576	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H"	1.007276
"1352155"	874.164376	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H"	1.007276
"126377"	874.164376	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2H"	2.014552
"566543"	1310.742926	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2H"	2.014552
"1038385"	437.585826	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2H"	2.014552
"208964"	583.112009333333	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+3H"	3.021828
"651805"	874.164376	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+3H"	3.021828
"1171032"	292.059642666667	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+3H"	3.021828
"432115"	1764.348023	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+NH4"	18.033823
"794205"	2637.505123	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+NH4"	18.033823
"1688349"	891.190923	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4"	18.033823
"335896"	882.6776495	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+NH4"	19.041099
"730144"	1319.2561995	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+NH4"	19.041099
"1483964"	446.0990995	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+NH4"	19.041099
"396084"	1769.303418	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Na"	22.989218
"762551"	2642.460518	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+Na"	22.989218
"1609555"	896.146318	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na"	22.989218
"321779"	885.155347	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+Na"	23.996494
"710921"	1321.733897	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+Na"	23.996494
"1466926"	448.576797	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+Na"	23.996494
"1061265"	299.386956666667	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2H+Na"	25.00377
"1261850"	906.190586	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+CH3OH+H"	33.033486
"384799"	1785.277358	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+K"	38.963158
"745794"	2658.434458	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+K"	38.963158
"1544565"	912.120258	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K"	38.963158
"301738"	893.142317	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+K"	39.970434
"692701"	1329.720867	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+K"	39.970434
"1446158"	456.563767	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+K"	39.970434
"235974"	1788.348026	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+ACN+H"	42.033826
"1211474"	915.190926	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+H"	42.033826
"1194463"	458.099101	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+2H"	43.041102
"188643"	1791.28536	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Na-H"	44.97116
"628671"	2664.44246	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Na-H"	44.97116
"1131407"	918.12826	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2Na-H"	44.97116
"173116"	896.146318	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Na"	45.978436
"622904"	1332.724868	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Na"	45.978436
"1123130"	459.567768	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2Na"	45.978436
"1404101"	306.714270666667	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+2Na"	46.985712
"1444606"	920.169846	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+HCOOH"	47.012746
"233208"	901.17934	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+3H2O+2H"	56.04448
"1517625"	934.22189	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+IsoProp+H"	61.06479
"418405"	904.133288	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Na+K"	61.952376
"782684"	1340.711838	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+Na+K"	61.952376
"1671724"	467.554738	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+K"	61.952376
"255329"	1810.329968	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+ACN+Na"	64.015768
"1231319"	937.172868	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+Na"	64.015768
"1718383"	937.196393	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4+HCOOH"	64.039293
"1186659"	314.041584666667	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+3Na"	68.967654
"1659103"	942.151788	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+HCOOH"	68.994688
"167059"	1823.23324	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2K-H"	76.91904
"607348"	2696.39034	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2K-H"	76.91904
"1094047"	950.07614	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2K-H"	76.91904
"149040"	912.120258	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2K"	77.926316
"594071"	1348.698808	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2K"	77.926316
"1078582"	475.541708	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2K"	77.926316
"1109239"	952.090692	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2K+H"	78.933592
"1339428"	952.178307	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+DMSO+H"	79.021207
"1006863"	956.217476	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2ACN+H"	83.060376
"1527175"	957.211108	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+IsoProp+Na+H"	84.054008
"992530"	478.612376	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2ACN+2H"	84.067652
"1590313"	958.125728	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K+HCOOH"	84.968628
"1421441"	988.157238	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+CF3COOH"	115.000138
"1151728"	499.125651	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+3ACN+2H"	125.094202
"1705652"	1005.183785	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4+CF3COOH"	132.026685
"1643495"	1010.13918	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+CF3COOH"	136.98208
"1584613"	1026.11312	"C09809"	"Cyclohex-25-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K+CF3COOH"	152.95602
"808419"	873.1571	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M"	0
"974370"	854.13871	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H2O-H"	-19.01839
"78220"	581.097457333333	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-3H"	-3.021828
"516320"	872.149824	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-3H"	-3.021828
"893757"	290.045090666667	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-3H"	-3.021828
"9415"	872.149824	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H"	-2.014552
"444602"	1308.728374	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H"	-2.014552
"825685"	435.571274	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H"	-2.014552
"89687"	1745.306924	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-H"	-1.007276
"520135"	2618.464024	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-H"	-1.007276
"896351"	872.149824	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H"	-1.007276
"47322"	1762.333471	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+NH4"	16.019271
"492599"	2635.490571	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+NH4"	16.019271
"867121"	889.176371	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+NH4"	16.019271
"32589"	1767.288866	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+Na"	20.974666
"482238"	2640.445966	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+Na"	20.974666
"860771"	894.131766	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+Na"	20.974666
"1626294"	894.131766	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na-2H"	20.974666
"103918"	890.138163	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-H+Cl"	33.962126
"546029"	1326.716713	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-H+Cl"	33.962126
"938085"	453.559613	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+Cl"	33.962126
"279561"	1781.283602	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Cl"	34.969402
"665789"	2654.440702	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+Cl"	34.969402
"1276366"	908.126502	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl"	34.969402
"27315"	1783.262806	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M-2H+K"	36.948606
"465780"	2656.419906	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M-2H+K"	36.948606
"841394"	910.105706	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-2H+K"	36.948606
"1568166"	910.105706	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K-2H"	36.948606
"954589"	918.155294	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+HCOOH"	44.998194
"364419"	1791.312401	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+HCOOH-H"	44.998201
"351583"	1805.328051	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Hac-H"	59.013851
"1497134"	932.170951	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Hac-H"	59.013851
"963581"	940.137251	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+NaCOOH"	66.980151
"117957"	908.126502	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Cl"	69.938804
"554967"	1344.705052	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Cl"	69.938804
"1025225"	471.547952	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2Cl"	69.938804
"1243345"	952.075985	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Br"	78.918885
"1308345"	954.131972	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+HCOOH"	80.974872
"1322201"	976.113929	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+NaCOOH"	102.956829
"913987"	986.142686	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M-H+CF3COOH"	112.985586
"1296901"	1022.119364	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Cl+CF3COOH"	148.962264
"1370687"	838.144424	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H-2H2O"	-35.012676
"1385996"	856.1544	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H-H2O"	-17.0027
"285683"	1747.321476	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H"	1.007276
"677013"	2620.478576	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H"	1.007276
"1354452"	874.164376	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H"	1.007276
"125999"	874.164376	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2H"	2.014552
"566531"	1310.742926	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2H"	2.014552
"1038372"	437.585826	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2H"	2.014552
"209438"	583.112009333333	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+3H"	3.021828
"651915"	874.164376	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+3H"	3.021828
"1173329"	292.059642666667	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+3H"	3.021828
"431860"	1764.348023	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+NH4"	18.033823
"791397"	2637.505123	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+NH4"	18.033823
"1688094"	891.190923	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4"	18.033823
"335643"	882.6776495	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+NH4"	19.041099
"730251"	1319.2561995	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+NH4"	19.041099
"1484075"	446.0990995	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+NH4"	19.041099
"395826"	1769.303418	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Na"	22.989218
"762655"	2642.460518	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+Na"	22.989218
"1615133"	896.146318	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na"	22.989218
"326262"	885.155347	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+Na"	23.996494
"718685"	1321.733897	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+Na"	23.996494
"1468130"	448.576797	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+Na"	23.996494
"1060281"	299.386956666667	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2H+Na"	25.00377
"1261960"	906.190586	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+CH3OH+H"	33.033486
"383815"	1785.277358	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+K"	38.963158
"745904"	2658.434458	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+K"	38.963158
"1542487"	912.120258	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K"	38.963158
"302213"	893.142317	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+H+K"	39.970434
"697549"	1329.720867	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+H+K"	39.970434
"1449182"	456.563767	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+K"	39.970434
"238149"	1788.348026	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+ACN+H"	42.033826
"1210857"	915.190926	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+H"	42.033826
"1194372"	458.099101	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+2H"	43.041102
"188943"	1791.28536	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Na-H"	44.97116
"629228"	2664.44246	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Na-H"	44.97116
"1131760"	918.12826	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2Na-H"	44.97116
"173593"	896.146318	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2Na"	45.978436
"613314"	1332.724868	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2Na"	45.978436
"1123240"	459.567768	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2Na"	45.978436
"1407492"	306.714270666667	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+2Na"	46.985712
"1441799"	920.169846	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+HCOOH"	47.012746
"231494"	901.17934	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+3H2O+2H"	56.04448
"1519557"	934.22189	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+IsoProp+H"	61.06479
"418515"	904.133288	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+Na+K"	61.952376
"782794"	1340.711838	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+Na+K"	61.952376
"1671834"	467.554738	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+K"	61.952376
"261272"	1810.329968	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+ACN+Na"	64.015768
"1230700"	937.172868	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+ACN+Na"	64.015768
"1715212"	937.196393	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4+HCOOH"	64.039293
"1185672"	314.041584666667	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+3Na"	68.967654
"1659211"	942.151788	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+HCOOH"	68.994688
"170085"	1823.23324	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2K-H"	76.91904
"608553"	2696.39034	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2K-H"	76.91904
"1096711"	950.07614	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2K-H"	76.91904
"148786"	912.120258	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"2M+2K"	77.926316
"595639"	1348.698808	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"3M+2K"	77.926316
"1080878"	475.541708	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2K"	77.926316
"1111172"	952.090692	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2K+H"	78.933592
"1342818"	952.178307	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+DMSO+H"	79.021207
"1007337"	956.217476	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2ACN+H"	83.060376
"1526556"	957.211108	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+IsoProp+Na+H"	84.054008
"998107"	478.612376	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+2ACN+2H"	84.067652
"1593703"	958.125728	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K+HCOOH"	84.968628
"1420458"	988.157238	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+H+CF3COOH"	115.000138
"1154025"	499.125651	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+3ACN+2H"	125.094202
"1705762"	1005.183785	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+NH4+CF3COOH"	132.026685
"1643605"	1010.13918	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+Na+CF3COOH"	136.98208
"1584723"	1026.11312	"C09810"	"Cyclohex-14-diene-1-carboxyl-CoA"	"C28H42N7O17P3S"	"873.1571"	"M+K+CF3COOH"	152.95602
"805249"	875.1727	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M"	0
"974890"	856.15431	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H2O-H"	-19.01839
"74683"	582.441190666667	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-3H"	-3.021828
"512056"	874.165424	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-3H"	-3.021828
"886577"	290.716957333333	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-3H"	-3.021828
"4058"	874.165424	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H"	-2.014552
"440455"	1311.751774	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H"	-2.014552
"825795"	436.579074	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H"	-2.014552
"89797"	1749.338124	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-H"	-1.007276
"519511"	2624.510824	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-H"	-1.007276
"896340"	874.165424	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H"	-1.007276
"47795"	1766.364671	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H+NH4"	16.019271
"489429"	2641.537371	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H+NH4"	16.019271
"865041"	891.191971	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H+NH4"	16.019271
"35251"	1771.320066	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H+Na"	20.974666
"475787"	2646.492766	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H+Na"	20.974666
"860152"	896.147366	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H+Na"	20.974666
"1626403"	896.147366	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na-2H"	20.974666
"102935"	892.153763	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-H+Cl"	33.962126
"540306"	1329.740113	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-H+Cl"	33.962126
"933821"	454.567413	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+Cl"	33.962126
"276751"	1785.314802	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Cl"	34.969402
"665899"	2660.487502	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+Cl"	34.969402
"1275383"	910.142102	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl"	34.969402
"25239"	1787.294006	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H+K"	36.948606
"463703"	2662.466706	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H+K"	36.948606
"836765"	912.121306	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H+K"	36.948606
"1560622"	912.121306	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K-2H"	36.948606
"948503"	920.170894	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+HCOOH"	44.998194
"364164"	1795.343601	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+HCOOH-H"	44.998201
"352422"	1809.359251	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Hac-H"	59.013851
"1495419"	934.186551	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Hac-H"	59.013851
"962598"	942.152851	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+NaCOOH"	66.980151
"116974"	910.142102	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2Cl"	69.938804
"557626"	1347.728452	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2Cl"	69.938804
"1027519"	472.555752	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2Cl"	69.938804
"1242600"	954.091585	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Br"	78.918885
"1305054"	956.147572	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl+HCOOH"	80.974872
"1320120"	978.129529	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl+NaCOOH"	102.956829
"912152"	988.158286	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+CF3COOH"	112.985586
"1297011"	1024.134964	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl+CF3COOH"	148.962264
"1370797"	840.160024	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H-2H2O"	-35.012676
"1383921"	858.17	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H-H2O"	-17.0027
"284700"	1751.352676	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H"	1.007276
"676636"	2626.525376	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H"	1.007276
"1354562"	876.179976	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H"	1.007276
"125909"	876.179976	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2H"	2.014552
"566154"	1313.766326	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2H"	2.014552
"1037998"	438.593626	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2H"	2.014552
"204797"	584.455742666667	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+3H"	3.021828
"652025"	876.179976	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+3H"	3.021828
"1172346"	292.731509333333	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+3H"	3.021828
"431241"	1768.379223	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+NH4"	18.033823
"791507"	2643.551923	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+NH4"	18.033823
"1688569"	893.206523	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+NH4"	18.033823
"336117"	884.6932495	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H+NH4"	19.041099
"730361"	1322.2795995	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H+NH4"	19.041099
"1484185"	447.1068995	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+NH4"	19.041099
"396666"	1773.334618	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Na"	22.989218
"759484"	2648.507318	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+Na"	22.989218
"1613055"	898.161918	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na"	22.989218
"324185"	887.170947	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H+Na"	23.996494
"719889"	1324.757297	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H+Na"	23.996494
"1470427"	449.584597	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+Na"	23.996494
"1057111"	300.058823333333	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2H+Na"	25.00377
"1265351"	908.206186	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+CH3OH+H"	33.033486
"383925"	1789.308558	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+K"	38.963158
"746014"	2664.481258	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+K"	38.963158
"1542231"	914.135858	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K"	38.963158
"301228"	895.157917	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H+K"	39.970434
"693284"	1332.744267	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H+K"	39.970434
"1451478"	457.571567	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+K"	39.970434
"240079"	1792.379226	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+ACN+H"	42.033826
"1214976"	917.206526	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+ACN+H"	42.033826
"1195213"	459.106901	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+ACN+2H"	43.041102
"190265"	1795.31656	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2Na-H"	44.97116
"629220"	2670.48926	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2Na-H"	44.97116
"1131994"	920.14386	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2Na-H"	44.97116
"173743"	898.161918	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2Na"	45.978436
"613426"	1335.748268	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2Na"	45.978436
"1123348"	460.575568	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2Na"	45.978436
"1409425"	307.386137333333	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+2Na"	46.985712
"1442271"	922.185446	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+HCOOH"	47.012746
"235008"	903.19494	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+3H2O+2H"	56.04448
"1519667"	936.23749	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+IsoProp+H"	61.06479
"417532"	906.148888	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Na+K"	61.952376
"781811"	1343.735238	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+Na+K"	61.952376
"1674131"	468.562538	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na+K"	61.952376
"262476"	1814.361168	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+ACN+Na"	64.015768
"1233362"	939.188468	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+ACN+Na"	64.015768
"1717509"	939.211993	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+NH4+HCOOH"	64.039293
"1185051"	314.713451333333	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+3Na"	68.967654
"1656767"	944.167388	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na+HCOOH"	68.994688
"167643"	1827.26444	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2K-H"	76.91904
"608663"	2702.43714	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2K-H"	76.91904
"1095360"	952.09174	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2K-H"	76.91904
"150354"	914.135858	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2K"	77.926316
"589550"	1351.722208	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2K"	77.926316
"1074425"	476.549508	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2K"	77.926316
"1111282"	954.106292	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2K+H"	78.933592
"1342928"	954.193907	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+DMSO+H"	79.021207
"1006111"	958.233076	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2ACN+H"	83.060376
"1525086"	959.226708	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+IsoProp+Na+H"	84.054008
"996031"	479.620176	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2ACN+2H"	84.067652
"1592721"	960.141328	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K+HCOOH"	84.968628
"1420568"	990.172838	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+CF3COOH"	115.000138
"1151949"	500.133451	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+3ACN+2H"	125.094202
"1705872"	1007.199385	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+NH4+CF3COOH"	132.026685
"1643715"	1012.15478	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na+CF3COOH"	136.98208
"1584833"	1028.12872	"C09811"	"Cyclohex-1-ene-1-carboxyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K+CF3COOH"	152.95602
"805359"	893.1833	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M"	0
"977796"	874.16491	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H2O-H"	-19.01839
"74793"	594.448257333333	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-3H"	-3.021828
"508886"	892.176024	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-3H"	-3.021828
"886687"	296.720490666667	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-3H"	-3.021828
"1009"	892.176024	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H"	-2.014552
"440565"	1338.767674	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H"	-2.014552
"825905"	445.584374	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H"	-2.014552
"86991"	1785.359324	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-H"	-1.007276
"518810"	2678.542624	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-H"	-1.007276
"896086"	892.176024	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H"	-1.007276
"47338"	1802.385871	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H+NH4"	16.019271
"487590"	2695.569171	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H+NH4"	16.019271
"865028"	909.202571	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H+NH4"	16.019271
"34268"	1807.341266	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H+Na"	20.974666
"478084"	2700.524566	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H+Na"	20.974666
"860263"	914.157966	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H+Na"	20.974666
"1624327"	914.157966	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na-2H"	20.974666
"103045"	910.164363	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-H+Cl"	33.962126
"539322"	1356.756013	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-H+Cl"	33.962126
"931744"	463.572713	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+Cl"	33.962126
"275768"	1821.336002	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Cl"	34.969402
"667103"	2714.519302	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+Cl"	34.969402
"1278043"	928.152702	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl"	34.969402
"26439"	1823.315206	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H+K"	36.948606
"467093"	2716.498506	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H+K"	36.948606
"842708"	930.131906	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H+K"	36.948606
"1565103"	930.131906	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K-2H"	36.948606
"954081"	938.181494	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+HCOOH"	44.998194
"363910"	1831.364801	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+HCOOH-H"	44.998201
"351803"	1845.380451	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Hac-H"	59.013851
"1496258"	952.197151	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Hac-H"	59.013851
"965988"	960.163451	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+NaCOOH"	66.980151
"115992"	928.152702	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2Cl"	69.938804
"557736"	1374.744352	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2Cl"	69.938804
"1028725"	481.561052	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2Cl"	69.938804
"1243084"	972.102185	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Br"	78.918885
"1304921"	974.158172	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl+HCOOH"	80.974872
"1321327"	996.140129	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl+NaCOOH"	102.956829
"913844"	1006.168886	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+CF3COOH"	112.985586
"1299309"	1042.145564	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl+CF3COOH"	148.962264
"1368721"	858.170624	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H-2H2O"	-35.012676
"1383301"	876.1806	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H-H2O"	-17.0027
"283470"	1787.373876	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H"	1.007276
"675895"	2680.557176	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H"	1.007276
"1352153"	894.190576	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H"	1.007276
"126339"	894.190576	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2H"	2.014552
"566022"	1340.782226	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2H"	2.014552
"1037985"	447.598926	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2H"	2.014552
"204586"	596.462809333333	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+3H"	3.021828
"651042"	894.190576	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+3H"	3.021828
"1171362"	298.735042666667	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+3H"	3.021828
"431350"	1804.400423	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+NH4"	18.033823
"793805"	2697.583723	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+NH4"	18.033823
"1689772"	911.217123	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+NH4"	18.033823
"338049"	902.7038495	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H+NH4"	19.041099
"731564"	1349.2954995	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H+NH4"	19.041099
"1485383"	456.1121995	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+NH4"	19.041099
"397504"	1809.355818	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Na"	22.989218
"760687"	2702.539118	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+Na"	22.989218
"1606598"	916.172518	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na"	22.989218
"321010"	905.181547	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H+Na"	23.996494
"711246"	1351.773197	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H+Na"	23.996494
"1463972"	458.589897	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+Na"	23.996494
"1053813"	306.062356666667	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2H+Na"	25.00377
"1260354"	926.216786	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+CH3OH+H"	33.033486
"377222"	1825.329758	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+K"	38.963158
"739560"	2718.513058	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+K"	38.963158
"1540275"	932.146458	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K"	38.963158
"298780"	913.168517	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H+K"	39.970434
"696673"	1359.760167	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H+K"	39.970434
"1449400"	466.576867	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+K"	39.970434
"238364"	1828.400426	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+ACN+H"	42.033826
"1213263"	935.217126	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+ACN+H"	42.033826
"1194511"	468.112201	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+ACN+2H"	43.041102
"189645"	1831.33776	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2Na-H"	44.97116
"628844"	2724.52106	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2Na-H"	44.97116
"1132840"	938.15446	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2Na-H"	44.97116
"173576"	916.172518	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2Na"	45.978436
"612898"	1362.764168	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2Na"	45.978436
"1123458"	469.580868	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2Na"	45.978436
"1409169"	313.389670666667	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+2Na"	46.985712
"1440193"	940.196046	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+HCOOH"	47.012746
"233173"	921.20554	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+3H2O+2H"	56.04448
"1521600"	954.24809	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+IsoProp+H"	61.06479
"419465"	924.159488	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Na+K"	61.952376
"781920"	1370.751138	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+Na+K"	61.952376
"1673875"	477.567838	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na+K"	61.952376
"256020"	1850.382368	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+ACN+Na"	64.015768
"1230555"	957.199068	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+ACN+Na"	64.015768
"1717619"	957.222593	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+NH4+HCOOH"	64.039293
"1184068"	320.716984666667	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+3Na"	68.967654
"1656149"	962.177988	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na+HCOOH"	68.994688
"164837"	1863.28564	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2K-H"	76.91904
"608406"	2756.46894	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2K-H"	76.91904
"1096563"	970.10234	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2K-H"	76.91904
"153744"	932.146458	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2K"	77.926316
"591117"	1378.738108	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2K"	77.926316
"1080367"	485.554808	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2K"	77.926316
"1111392"	972.116892	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2K+H"	78.933592
"1345225"	972.204507	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+DMSO+H"	79.021207
"1007315"	976.243676	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2ACN+H"	83.060376
"1527506"	977.237308	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+IsoProp+Na+H"	84.054008
"996140"	488.625476	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2ACN+2H"	84.067652
"1590642"	978.151928	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K+HCOOH"	84.968628
"1421771"	1008.183438	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+CF3COOH"	115.000138
"1152059"	509.138751	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+3ACN+2H"	125.094202
"1705982"	1025.209985	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+NH4+CF3COOH"	132.026685
"1635077"	1030.16538	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na+CF3COOH"	136.98208
"1584943"	1046.13932	"C09812"	"2-Hydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K+CF3COOH"	152.95602
"805469"	891.1676	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M"	0
"978998"	872.14921	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H2O-H"	-19.01839
"70528"	593.104457333333	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-3H"	-3.021828
"512275"	890.160324	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-3H"	-3.021828
"887890"	296.048590666667	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-3H"	-3.021828
"2091"	890.160324	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H"	-2.014552
"440557"	1335.744124	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H"	-2.014552
"826015"	444.576524	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H"	-2.014552
"87101"	1781.327924	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-H"	-1.007276
"520464"	2672.495524	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-H"	-1.007276
"895752"	890.160324	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H"	-1.007276
"47330"	1798.354471	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+NH4"	16.019271
"487296"	2689.522071	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+NH4"	16.019271
"867449"	907.186871	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+NH4"	16.019271
"35351"	1803.309866	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+Na"	20.974666
"476007"	2694.477466	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+Na"	20.974666
"860738"	912.142266	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+Na"	20.974666
"1625530"	912.142266	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na-2H"	20.974666
"104978"	908.148663	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-H+Cl"	33.962126
"538339"	1353.732463	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-H+Cl"	33.962126
"931854"	462.564863	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+Cl"	33.962126
"275878"	1817.304602	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Cl"	34.969402
"665027"	2708.472202	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Cl"	34.969402
"1277791"	926.137002	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl"	34.969402
"18164"	1819.283806	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+K"	36.948606
"459907"	2710.451406	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+K"	36.948606
"835891"	928.116206	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+K"	36.948606
"1566306"	928.116206	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K-2H"	36.948606
"950908"	936.165794	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+HCOOH"	44.998194
"363656"	1827.333401	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+HCOOH-H"	44.998201
"351913"	1841.349051	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Hac-H"	59.013851
"1494910"	950.181451	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Hac-H"	59.013851
"962818"	958.147751	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+NaCOOH"	66.980151
"115367"	926.137002	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Cl"	69.938804
"556020"	1371.720802	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Cl"	69.938804
"1027372"	480.553202	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Cl"	69.938804
"1246226"	970.086485	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Br"	78.918885
"1311956"	972.142472	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+HCOOH"	80.974872
"1320583"	994.124429	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+NaCOOH"	102.956829
"912008"	1004.153186	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+CF3COOH"	112.985586
"1299419"	1040.129864	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+CF3COOH"	148.962264
"1368830"	856.154924	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H-2H2O"	-35.012676
"1383776"	874.1649	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H-H2O"	-17.0027
"283704"	1783.342476	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H"	1.007276
"676855"	2674.510076	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H"	1.007276
"1351537"	892.174876	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H"	1.007276
"125882"	892.174876	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2H"	2.014552
"565887"	1337.758676	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2H"	2.014552
"1037975"	446.591076	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2H"	2.014552
"204427"	595.119009333333	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+3H"	3.021828
"646774"	892.174876	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+3H"	3.021828
"1165265"	298.063142666667	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3H"	3.021828
"434740"	1800.369023	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+NH4"	18.033823
"795736"	2691.536623	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+NH4"	18.033823
"1689878"	909.201423	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4"	18.033823
"338157"	900.6881495	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+NH4"	19.041099
"730579"	1346.2719495	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+NH4"	19.041099
"1482212"	455.1043495	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+NH4"	19.041099
"397614"	1805.324418	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Na"	22.989218
"760797"	2696.492018	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Na"	22.989218
"1606708"	914.156818	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na"	22.989218
"318934"	903.165847	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+Na"	23.996494
"712450"	1348.749647	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+Na"	23.996494
"1465175"	457.582047	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+Na"	23.996494
"1053477"	305.390456666667	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2H+Na"	25.00377
"1263380"	924.201086	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+CH3OH+H"	33.033486
"378309"	1821.298358	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+K"	38.963158
"741492"	2712.465958	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+K"	38.963158
"1541357"	930.130758	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K"	38.963158
"298648"	911.152817	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+K"	39.970434
"697877"	1356.736617	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+K"	39.970434
"1451697"	465.569017	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+K"	39.970434
"239569"	1824.369026	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+ACN+H"	42.033826
"1213373"	933.201426	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+H"	42.033826
"1195797"	467.104351	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+2H"	43.041102
"189512"	1827.30636	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Na-H"	44.97116
"630052"	2718.47396	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Na-H"	44.97116
"1131383"	936.13876	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Na-H"	44.97116
"172893"	914.156818	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Na"	45.978436
"613032"	1359.740618	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Na"	45.978436
"1123567"	468.573018	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Na"	45.978436
"1408186"	312.717770666667	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+2Na"	46.985712
"1442126"	938.180346	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+HCOOH"	47.012746
"234375"	919.18984	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+3H2O+2H"	56.04448
"1519523"	952.23239	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+IsoProp+H"	61.06479
"421762"	922.143788	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Na+K"	61.952376
"784217"	1367.727588	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Na+K"	61.952376
"1673985"	476.559988	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+K"	61.952376
"256130"	1846.350968	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+ACN+Na"	64.015768
"1231758"	955.183368	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+Na"	64.015768
"1717729"	955.206893	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4+HCOOH"	64.039293
"1184543"	320.045084666667	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3Na"	68.967654
"1653706"	960.162288	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+HCOOH"	68.994688
"164217"	1859.25424	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2K-H"	76.91904
"607787"	2750.42184	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2K-H"	76.91904
"1096673"	968.08664	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K-H"	76.91904
"149479"	930.130758	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2K"	77.926316
"585758"	1375.714558	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2K"	77.926316
"1077925"	484.546958	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K"	77.926316
"1111502"	970.101192	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K+H"	78.933592
"1343148"	970.188807	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+DMSO+H"	79.021207
"1008397"	974.227976	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2ACN+H"	83.060376
"1526521"	975.221608	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+IsoProp+Na+H"	84.054008
"994062"	487.617626	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2ACN+2H"	84.067652
"1591845"	976.136228	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K+HCOOH"	84.968628
"1417506"	1006.167738	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+CF3COOH"	115.000138
"1149982"	508.130901	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3ACN+2H"	125.094202
"1706092"	1023.194285	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4+CF3COOH"	132.026685
"1636280"	1028.14968	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+CF3COOH"	136.98208
"1575212"	1044.12362	"C09813"	"2-Ketocyclohexane-1-carboxyl-CoA;2-Oxocyclohexane-1-carbonyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K+CF3COOH"	152.95602
"811047"	103.0422	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M"	0
"980204"	84.02381	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-H2O-H"	-19.01839
"75013"	67.687524	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M-3H"	-3.021828
"512386"	102.034924	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M-3H"	-3.021828
"886907"	33.340124	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-3H"	-3.021828
"6576"	102.034924	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M-2H"	-2.014552
"440016"	153.556024	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M-2H"	-2.014552
"826125"	50.513824	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-2H"	-2.014552
"87211"	205.077124	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M-H"	-1.007276
"525678"	308.119324	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M-H"	-1.007276
"906398"	102.034924	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-H"	-1.007276
"52386"	222.103671	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M-2H+NH4"	16.019271
"491947"	325.145871	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M-2H+NH4"	16.019271
"867561"	119.061471	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-2H+NH4"	16.019271
"37649"	227.059066	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M-2H+Na"	20.974666
"479397"	330.101266	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M-2H+Na"	20.974666
"860848"	124.016866	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-2H+Na"	20.974666
"1630381"	124.016866	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Na-2H"	20.974666
"105088"	120.023263	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M-H+Cl"	33.962126
"540635"	171.544363	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M-H+Cl"	33.962126
"935973"	68.502163	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-H+Cl"	33.962126
"275260"	241.053802	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+Cl"	34.969402
"666230"	344.096002	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+Cl"	34.969402
"1280815"	138.011602	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Cl"	34.969402
"18274"	243.033006	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M-2H+K"	36.948606
"458195"	346.075206	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M-2H+K"	36.948606
"835637"	139.990806	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-2H+K"	36.948606
"1560949"	139.990806	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+K-2H"	36.948606
"945182"	148.040394	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-H+HCOOH"	44.998194
"364125"	251.082601	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+HCOOH-H"	44.998201
"348009"	265.098251	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+Hac-H"	59.013851
"1495751"	162.056051	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Hac-H"	59.013851
"960013"	170.022351	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-H+NaCOOH"	66.980151
"113654"	138.011602	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+2Cl"	69.938804
"554674"	189.532702	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+2Cl"	69.938804
"1025664"	86.490502	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2Cl"	69.938804
"1243058"	181.961085	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Br"	78.918885
"1307694"	184.017072	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Cl+HCOOH"	80.974872
"1320815"	205.999029	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Cl+NaCOOH"	102.956829
"912606"	216.027786	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M-H+CF3COOH"	112.985586
"1299529"	252.004464	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Cl+CF3COOH"	148.962264
"1368941"	68.029524	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H-2H2O"	-35.012676
"1382828"	86.0395	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H-H2O"	-17.0027
"282844"	207.091676	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+H"	1.007276
"676480"	310.133876	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+H"	1.007276
"1351485"	104.049476	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H"	1.007276
"126073"	104.049476	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+2H"	2.014552
"565752"	155.570576	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+2H"	2.014552
"1039057"	52.528376	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2H"	2.014552
"204332"	69.702076	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+3H"	3.021828
"646155"	104.049476	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+3H"	3.021828
"1165013"	35.354676	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+3H"	3.021828
"435943"	224.118223	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+NH4"	18.033823
"793660"	327.160423	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+NH4"	18.033823
"1693269"	121.076023	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+NH4"	18.033823
"334988"	112.5627495	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+H+NH4"	19.041099
"730690"	164.0838495	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+H+NH4"	19.041099
"1481229"	61.0416495	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H+NH4"	19.041099
"401005"	229.073618	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+Na"	22.989218
"760907"	332.115818	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+Na"	22.989218
"1609006"	126.031418	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Na"	22.989218
"319044"	115.040447	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+H+Na"	23.996494
"711467"	166.561547	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+H+Na"	23.996494
"1468566"	63.519347	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H+Na"	23.996494
"1057438"	42.68199	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2H+Na"	25.00377
"1263490"	136.075686	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+CH3OH+H"	33.033486
"377688"	245.047558	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+K"	38.963158
"740510"	348.089758	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+K"	38.963158
"1540130"	142.005358	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+K"	38.963158
"299494"	123.027417	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+H+K"	39.970434
"697987"	174.548517	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+H+K"	39.970434
"1453994"	71.506317	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H+K"	39.970434
"241504"	248.118226	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+ACN+H"	42.033826
"1212753"	145.076026	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+ACN+H"	42.033826
"1196999"	73.041651	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+ACN+2H"	43.041102
"188936"	251.05556	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+2Na-H"	44.97116
"628860"	354.09776	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+2Na-H"	44.97116
"1131595"	148.01336	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2Na-H"	44.97116
"176594"	126.031418	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+2Na"	45.978436
"617246"	177.552518	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+2Na"	45.978436
"1120752"	74.510318	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2Na"	45.978436
"1398809"	50.009304	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H+2Na"	46.985712
"1430353"	150.054946	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H+HCOOH"	47.012746
"220374"	131.06444	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+3H2O+2H"	56.04448
"1508687"	164.10699	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+IsoProp+H"	61.06479
"415668"	134.018388	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+Na+K"	61.952376
"783230"	185.539488	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+Na+K"	61.952376
"1673004"	82.497288	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Na+K"	61.952376
"255148"	270.100168	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+ACN+Na"	64.015768
"1229682"	167.057968	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+ACN+Na"	64.015768
"1717475"	167.081493	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+NH4+HCOOH"	64.039293
"1184289"	57.336618	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+3Na"	68.967654
"1653816"	172.036888	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Na+HCOOH"	68.994688
"164327"	283.00344	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+2K-H"	76.91904
"608626"	386.04564	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+2K-H"	76.91904
"1095690"	179.96124	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2K-H"	76.91904
"151413"	142.005358	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"2M+2K"	77.926316
"592066"	193.526458	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"3M+2K"	77.926316
"1077671"	90.484258	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2K"	77.926316
"1111248"	181.975792	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2K+H"	78.933592
"1347269"	182.063407	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+DMSO+H"	79.021207
"1012882"	186.102576	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2ACN+H"	83.060376
"1529913"	187.096208	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+IsoProp+Na+H"	84.054008
"998547"	93.554926	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+2ACN+2H"	84.067652
"1594142"	188.010828	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+K+HCOOH"	84.968628
"1423083"	218.042338	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+H+CF3COOH"	115.000138
"1158839"	114.068201	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+3ACN+2H"	125.094202
"1709483"	235.068885	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+NH4+CF3COOH"	132.026685
"1636390"	240.02428	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+Na+CF3COOH"	136.98208
"1575322"	255.99822	"C09814"	"Benzonitrile;Phenyl cyanide;Cyanobenzene"	"C7H5N"	"103.0422"	"M+K+CF3COOH"	152.95602
"816268"	121.0528	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M"	0
"989272"	102.03441	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-H2O-H"	-19.01839
"74033"	79.6945906666667	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M-3H"	-3.021828
"515781"	120.045524	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M-3H"	-3.021828
"893948"	39.3436573333333	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-3H"	-3.021828
"15202"	120.045524	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M-2H"	-2.014552
"454513"	180.571924	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M-2H"	-2.014552
"826240"	59.519124	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-2H"	-2.014552
"81127"	241.098324	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M-H"	-1.007276
"529072"	362.151124	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M-H"	-1.007276
"905780"	120.045524	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-H"	-1.007276
"56875"	258.124871	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M-2H+NH4"	16.019271
"500081"	379.177671	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M-2H+NH4"	16.019271
"876426"	137.072071	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-2H+NH4"	16.019271
"42140"	263.080266	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M-2H+Na"	20.974666
"485833"	384.133066	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M-2H+Na"	20.974666
"862907"	142.027466	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-2H+Na"	20.974666
"1629036"	142.027466	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Na-2H"	20.974666
"104474"	138.033863	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M-H+Cl"	33.962126
"545126"	198.560263	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M-H+Cl"	33.962126
"936458"	77.507463	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-H+Cl"	33.962126
"269549"	277.075002	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+Cl"	34.969402
"665253"	398.127802	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+Cl"	34.969402
"1282031"	156.022202	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Cl"	34.969402
"20215"	279.054206	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M-2H+K"	36.948606
"464148"	400.107006	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M-2H+K"	36.948606
"838669"	158.001406	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-2H+K"	36.948606
"1559969"	158.001406	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+K-2H"	36.948606
"953319"	166.050994	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-H+HCOOH"	44.998194
"366068"	287.103801	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+HCOOH-H"	44.998201
"349952"	301.119451	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+Hac-H"	59.013851
"1495868"	180.066651	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Hac-H"	59.013851
"965234"	188.032951	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-H+NaCOOH"	66.980151
"117421"	156.022202	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+2Cl"	69.938804
"551879"	216.548602	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+2Cl"	69.938804
"1023595"	95.495802	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2Cl"	69.938804
"1245360"	199.971685	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Br"	78.918885
"1306714"	202.027672	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Cl+HCOOH"	80.974872
"1334058"	224.009629	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Cl+NaCOOH"	102.956829
"925485"	234.038386	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M-H+CF3COOH"	112.985586
"1299640"	270.015064	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Cl+CF3COOH"	148.962264
"1373427"	86.040124	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H-2H2O"	-35.012676
"1393113"	104.0501	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H-H2O"	-17.0027
"288425"	243.112876	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+H"	1.007276
"676106"	364.165676	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+H"	1.007276
"1353914"	122.060076	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H"	1.007276
"126436"	122.060076	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+2H"	2.014552
"567449"	182.586476	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+2H"	2.014552
"1042089"	61.533676	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2H"	2.014552
"219937"	81.7091426666667	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+3H"	3.021828
"659398"	122.060076	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+3H"	3.021828
"1176064"	41.3582093333333	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+3H"	3.021828
"434964"	260.139423	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+NH4"	18.033823
"794866"	381.192223	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+NH4"	18.033823
"1685729"	139.086623	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+NH4"	18.033823
"335102"	130.5733495	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+H+NH4"	19.041099
"736271"	191.0997495	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+H+NH4"	19.041099
"1484624"	70.0469495	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H+NH4"	19.041099
"397837"	265.094818	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+Na"	22.989218
"766487"	386.147618	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+Na"	22.989218
"1611307"	144.042018	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Na"	22.989218
"321344"	133.051047	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+H+Na"	23.996494
"710485"	193.577447	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+H+Na"	23.996494
"1466492"	72.524647	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H+Na"	23.996494
"1057551"	48.6855233333333	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2H+Na"	25.00377
"1263604"	154.086286	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+CH3OH+H"	33.033486
"381084"	281.068758	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+K"	38.963158
"740985"	402.121558	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+K"	38.963158
"1541579"	160.015958	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+K"	38.963158
"303492"	141.038017	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+H+K"	39.970434
"694818"	201.564417	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+H+K"	39.970434
"1453013"	80.511617	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H+K"	39.970434
"242708"	284.139426	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+ACN+H"	42.033826
"1219790"	163.086626	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+ACN+H"	42.033826
"1200028"	82.046951	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+ACN+2H"	43.041102
"189494"	287.07676	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+2Na-H"	44.97116
"629296"	408.12956	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+2Na-H"	44.97116
"1132031"	166.02396	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2Na-H"	44.97116
"174273"	144.042018	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+2Na"	45.978436
"613347"	204.568418	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+2Na"	45.978436
"1119409"	83.515618	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2Na"	45.978436
"1400381"	56.0128373333333	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H+2Na"	46.985712
"1439428"	168.065546	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H+HCOOH"	47.012746
"234597"	149.07504	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+3H2O+2H"	56.04448
"1523024"	182.11759	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+IsoProp+H"	61.06479
"421618"	152.028988	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+Na+K"	61.952376
"783710"	212.555388	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+Na+K"	61.952376
"1669832"	91.502588	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Na+K"	61.952376
"257446"	306.121368	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+ACN+Na"	64.015768
"1230521"	185.068568	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+ACN+Na"	64.015768
"1714301"	185.092093	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+NH4+HCOOH"	64.039293
"1179292"	63.3401513333333	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+3Na"	68.967654
"1651008"	190.047488	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Na+HCOOH"	68.994688
"160423"	319.02464	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+2K-H"	76.91904
"606548"	440.07744	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+2K-H"	76.91904
"1093978"	197.97184	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2K-H"	76.91904
"150066"	160.015958	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"2M+2K"	77.926316
"592906"	220.542358	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"3M+2K"	77.926316
"1078511"	99.489558	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2K"	77.926316
"1108805"	199.986392	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2K+H"	78.933592
"1343004"	200.074007	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+DMSO+H"	79.021207
"1010805"	204.113176	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2ACN+H"	83.060376
"1528928"	205.106808	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+IsoProp+Na+H"	84.054008
"994283"	102.560226	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+2ACN+2H"	84.067652
"1593159"	206.021428	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+K+HCOOH"	84.968628
"1422099"	236.052938	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+H+CF3COOH"	115.000138
"1158949"	123.073501	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+3ACN+2H"	125.094202
"1711416"	253.079485	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+NH4+CF3COOH"	132.026685
"1636500"	258.03488	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+Na+CF3COOH"	136.98208
"1575432"	274.00882	"C09815"	"Benzamide"	"C7H7NO"	"121.0528"	"M+K+CF3COOH"	152.95602
"809079"	208.0736	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M"	0
"974954"	189.05521	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-H2O-H"	-19.01839
"76939"	137.708457333333	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M-3H"	-3.021828
"513701"	207.066324	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M-3H"	-3.021828
"888220"	68.3505906666667	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-3H"	-3.021828
"14826"	207.066324	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M-2H"	-2.014552
"451829"	311.103124	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M-2H"	-2.014552
"826350"	103.029524	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-2H"	-2.014552
"81966"	415.139924	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M-H"	-1.007276
"529182"	623.213524	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M-H"	-1.007276
"909170"	207.066324	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-H"	-1.007276
"59900"	432.166471	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M-2H+NH4"	16.019271
"500190"	640.240071	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M-2H+NH4"	16.019271
"877508"	224.092871	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-2H+NH4"	16.019271
"45538"	437.121866	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M-2H+Na"	20.974666
"484975"	645.195466	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M-2H+Na"	20.974666
"863139"	229.048266	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-2H+Na"	20.974666
"1625866"	229.048266	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Na-2H"	20.974666
"104584"	225.054663	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M-H+Cl"	33.962126
"546329"	329.091463	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M-H+Cl"	33.962126
"938754"	121.017863	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-H+Cl"	33.962126
"276221"	451.116602	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+Cl"	34.969402
"667550"	659.190202	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+Cl"	34.969402
"1283235"	243.043002	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Cl"	34.969402
"20325"	453.095806	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M-2H+K"	36.948606
"464258"	661.169406	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M-2H+K"	36.948606
"838779"	245.022206	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-2H+K"	36.948606
"1561173"	245.022206	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+K-2H"	36.948606
"954525"	253.071794	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-H+HCOOH"	44.998194
"367274"	461.145401	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+HCOOH-H"	44.998201
"351157"	475.161051	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+Hac-H"	59.013851
"1493792"	267.087451	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Hac-H"	59.013851
"967531"	275.053751	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-H+NaCOOH"	66.980151
"114251"	243.043002	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+2Cl"	69.938804
"551625"	347.079802	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+2Cl"	69.938804
"1024798"	139.006202	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2Cl"	69.938804
"1242190"	286.992485	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Br"	78.918885
"1305731"	289.048472	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Cl+HCOOH"	80.974872
"1322134"	311.030429	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Cl+NaCOOH"	102.956829
"924141"	321.059186	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M-H+CF3COOH"	112.985586
"1301578"	357.035864	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Cl+CF3COOH"	148.962264
"1374630"	173.060924	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H-2H2O"	-35.012676
"1391037"	191.0709	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H-H2O"	-17.0027
"290722"	417.154476	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+H"	1.007276
"676013"	625.228076	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+H"	1.007276
"1354024"	209.080876	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H"	1.007276
"127273"	209.080876	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+2H"	2.014552
"568287"	313.117676	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+2H"	2.014552
"1045116"	105.044076	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2H"	2.014552
"218490"	139.723009333333	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+3H"	3.021828
"658417"	209.080876	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+3H"	3.021828
"1173989"	70.3651426666667	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+3H"	3.021828
"437262"	434.181023	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+NH4"	18.033823
"800444"	642.254623	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+NH4"	18.033823
"1685840"	226.107423	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+NH4"	18.033823
"345298"	217.5941495	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+H+NH4"	19.041099
"726540"	321.6309495	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+H+NH4"	19.041099
"1488016"	113.5573495	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H+NH4"	19.041099
"404875"	439.136418	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+Na"	22.989218
"767329"	647.210018	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+Na"	22.989218
"1611417"	231.062818	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Na"	22.989218
"326922"	220.071847	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+H+Na"	23.996494
"716063"	324.108647	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+H+Na"	23.996494
"1472436"	116.035047	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H+Na"	23.996494
"1057661"	77.6924566666667	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2H+Na"	25.00377
"1263714"	241.107086	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+CH3OH+H"	33.033486
"379007"	455.110358	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+K"	38.963158
"742190"	663.183958	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+K"	38.963158
"1542054"	247.036758	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+K"	38.963158
"303603"	228.058817	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+H+K"	39.970434
"698208"	332.095617	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+H+K"	39.970434
"1453122"	124.022017	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H+K"	39.970434
"242818"	458.181026	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+ACN+H"	42.033826
"1218807"	250.107426	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+ACN+H"	42.033826
"1201598"	125.557351	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+ACN+2H"	43.041102
"191186"	461.11836	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+2Na-H"	44.97116
"629410"	669.19196	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+2Na-H"	44.97116
"1131587"	253.04476	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2Na-H"	44.97116
"173282"	231.062818	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+2Na"	45.978436
"613699"	335.099618	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+2Na"	45.978436
"1118426"	127.026018	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2Na"	45.978436
"1400491"	85.0197706666667	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H+2Na"	46.985712
"1440631"	255.086346	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H+HCOOH"	47.012746
"232515"	236.09584	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+3H2O+2H"	56.04448
"1522043"	269.13839	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+IsoProp+H"	61.06479
"421730"	239.049788	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+Na+K"	61.952376
"784187"	343.086588	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+Na+K"	61.952376
"1672131"	135.012988	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Na+K"	61.952376
"259742"	480.162968	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+ACN+Na"	64.015768
"1232454"	272.089368	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+ACN+Na"	64.015768
"1715870"	272.112893	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+NH4+HCOOH"	64.039293
"1179886"	92.3470846666667	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+3Na"	68.967654
"1650996"	277.068288	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Na+HCOOH"	68.994688
"159439"	493.06624	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+2K-H"	76.91904
"605566"	701.13984	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+2K-H"	76.91904
"1092995"	284.99264	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2K-H"	76.91904
"149812"	247.036758	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"2M+2K"	77.926316
"592287"	351.073558	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"3M+2K"	77.926316
"1080079"	142.999958	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2K"	77.926316
"1111104"	287.007192	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2K+H"	78.933592
"1345302"	287.094807	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+DMSO+H"	79.021207
"1014195"	291.133976	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2ACN+H"	83.060376
"1533049"	292.127608	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+IsoProp+Na+H"	84.054008
"998766"	146.070626	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+2ACN+2H"	84.067652
"1593269"	293.042228	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+K+HCOOH"	84.968628
"1422209"	323.073738	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+H+CF3COOH"	115.000138
"1155779"	166.583901	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+3ACN+2H"	125.094202
"1709703"	340.100285	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+NH4+CF3COOH"	132.026685
"1636610"	345.05568	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+Na+CF3COOH"	136.98208
"1575542"	361.02962	"C09816"	"Benzylsuccinate;(R)-2-Benzylsuccinate"	"C11H12O4"	"208.0736"	"M+K+CF3COOH"	152.95602
"812470"	957.1782	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M"	0
"979440"	938.15981	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-H2O-H"	-19.01839
"72064"	637.111524	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M-3H"	-3.021828
"509436"	956.170924	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M-3H"	-3.021828
"887237"	318.052124	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-3H"	-3.021828
"7999"	956.170924	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M-2H"	-2.014552
"451935"	1434.760024	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M-2H"	-2.014552
"826460"	477.581824	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-2H"	-2.014552
"79645"	1913.349124	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M-H"	-1.007276
"523824"	2870.527324	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M-H"	-1.007276
"903813"	956.170924	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-H"	-1.007276
"53813"	1930.375671	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M-2H+NH4"	16.019271
"495561"	2887.553871	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M-2H+NH4"	16.019271
"874458"	973.197471	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-2H+NH4"	16.019271
"46740"	1935.331066	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M-2H+Na"	20.974666
"486175"	2892.509266	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M-2H+Na"	20.974666
"862640"	978.152866	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-2H+Na"	20.974666
"1632174"	978.152866	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Na-2H"	20.974666
"104692"	974.159263	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M-H+Cl"	33.962126
"543159"	1452.748363	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M-H+Cl"	33.962126
"941780"	495.570163	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-H+Cl"	33.962126
"276331"	1949.325802	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+Cl"	34.969402
"673127"	2906.504002	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+Cl"	34.969402
"1283344"	992.147602	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Cl"	34.969402
"23715"	1951.305006	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M-2H+K"	36.948606
"466556"	2908.483206	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M-2H+K"	36.948606
"841076"	994.126806	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-2H+K"	36.948606
"1563470"	994.126806	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+K-2H"	36.948606
"955727"	1002.176394	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-H+HCOOH"	44.998194
"371758"	1959.354601	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+HCOOH-H"	44.998201
"355641"	1973.370251	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+Hac-H"	59.013851
"1495725"	1016.192051	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Hac-H"	59.013851
"967641"	1024.158351	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-H+NaCOOH"	66.980151
"117641"	992.147602	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+2Cl"	69.938804
"555015"	1470.736702	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+2Cl"	69.938804
"1024908"	513.558502	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2Cl"	69.938804
"1247768"	1036.097085	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Br"	78.918885
"1306934"	1038.153072	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Cl+HCOOH"	80.974872
"1322243"	1060.135029	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Cl+NaCOOH"	102.956829
"925341"	1070.163786	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M-H+CF3COOH"	112.985586
"1301685"	1106.140464	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Cl+CF3COOH"	148.962264
"1375833"	922.165524	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H-2H2O"	-35.012676
"1391146"	940.1755	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H-H2O"	-17.0027
"287552"	1915.363676	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+H"	1.007276
"676081"	2872.541876	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+H"	1.007276
"1353036"	958.185476	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H"	1.007276
"126287"	958.185476	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+2H"	2.014552
"567669"	1436.774576	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+2H"	2.014552
"1039757"	479.596376	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2H"	2.014552
"206927"	639.126076	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+3H"	3.021828
"648312"	958.185476	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+3H"	3.021828
"1177379"	320.066676	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+3H"	3.021828
"439763"	1932.390223	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+NH4"	18.033823
"800069"	2889.568423	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+NH4"	18.033823
"1685950"	975.212023	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+NH4"	18.033823
"345536"	966.6987495	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+H+NH4"	19.041099
"728107"	1445.2878495	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+H+NH4"	19.041099
"1489219"	488.1096495	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H+NH4"	19.041099
"405712"	1937.345618	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+Na"	22.989218
"768898"	2894.523818	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+Na"	22.989218
"1611527"	980.167418	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Na"	22.989218
"327761"	969.176447	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+H+Na"	23.996494
"716173"	1447.765547	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+H+Na"	23.996494
"1471087"	490.587347	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H+Na"	23.996494
"1058864"	327.39399	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2H+Na"	25.00377
"1263824"	990.211686	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+CH3OH+H"	33.033486
"380211"	1953.319558	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+K"	38.963158
"743394"	2910.497758	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+K"	38.963158
"1541436"	996.141358	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+K"	38.963158
"305901"	977.163417	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+H+K"	39.970434
"699413"	1455.752517	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+H+K"	39.970434
"1451045"	498.574317	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H+K"	39.970434
"245116"	1956.390226	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+ACN+H"	42.033826
"1218917"	999.212026	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+ACN+H"	42.033826
"1203894"	500.109651	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+ACN+2H"	43.041102
"192390"	1959.32756	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+2Na-H"	44.97116
"629762"	2916.50576	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+2Na-H"	44.97116
"1131687"	1002.14936	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2Na-H"	44.97116
"173080"	980.167418	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+2Na"	45.978436
"612940"	1458.756518	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+2Na"	45.978436
"1119629"	501.578318	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2Na"	45.978436
"1402788"	334.721304	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H+2Na"	46.985712
"1438555"	1004.190946	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H+HCOOH"	47.012746
"232625"	985.20044	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+3H2O+2H"	56.04448
"1523368"	1018.24299	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+IsoProp+H"	61.06479
"422571"	988.154388	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+Na+K"	61.952376
"784297"	1466.743488	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+Na+K"	61.952376
"1671146"	509.565288	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Na+K"	61.952376
"256572"	1978.372168	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+ACN+Na"	64.015768
"1233657"	1021.193968	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+ACN+Na"	64.015768
"1721447"	1021.217493	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+NH4+HCOOH"	64.039293
"1186805"	342.048618	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+3Na"	68.967654
"1654511"	1026.172888	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Na+HCOOH"	68.994688
"167206"	1991.27544	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+2K-H"	76.91904
"608225"	2948.45364	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+2K-H"	76.91904
"1096386"	1034.09724	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2K-H"	76.91904
"152838"	996.141358	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"2M+2K"	77.926316
"594584"	1474.730458	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"3M+2K"	77.926316
"1083471"	517.552258	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2K"	77.926316
"1113403"	1036.111792	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2K+H"	78.933592
"1348694"	1036.199407	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+DMSO+H"	79.021207
"1017589"	1040.238576	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2ACN+H"	83.060376
"1537900"	1041.232208	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+IsoProp+Na+H"	84.054008
"1003253"	520.622926	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+2ACN+2H"	84.067652
"1601036"	1042.146828	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+K+HCOOH"	84.968628
"1423413"	1072.178338	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+H+CF3COOH"	115.000138
"1162087"	541.136201	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+3ACN+2H"	125.094202
"1712495"	1089.204885	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+NH4+CF3COOH"	132.026685
"1637813"	1094.16028	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+Na+CF3COOH"	136.98208
"1575652"	1110.13422	"C09817"	"Benzylsuccinyl-CoA;(R)-2-Benzylsuccinyl-CoA"	"C32H46N7O19P3S"	"957.1782"	"M+K+CF3COOH"	152.95602
"812580"	955.1626	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M"	0
"976635"	936.14421	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H2O-H"	-19.01839
"68894"	635.767790666667	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-3H"	-3.021828
"509546"	954.155324	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-3H"	-3.021828
"888440"	317.380257333333	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-3H"	-3.021828
"11389"	954.155324	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H"	-2.014552
"450952"	1431.736624	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H"	-2.014552
"826570"	476.574024	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H"	-2.014552
"80000"	1909.317924	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-H"	-1.007276
"526122"	2864.480524	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-H"	-1.007276
"903924"	954.155324	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H"	-1.007276
"53924"	1926.344471	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H+NH4"	16.019271
"497859"	2881.507071	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H+NH4"	16.019271
"879430"	971.181871	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H+NH4"	16.019271
"46120"	1931.299866	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H+Na"	20.974666
"484221"	2886.462466	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H+Na"	20.974666
"863482"	976.137266	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H+Na"	20.974666
"1630461"	976.137266	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na-2H"	20.974666
"103709"	972.143663	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-H+Cl"	33.962126
"541082"	1449.724963	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-H+Cl"	33.962126
"940068"	494.562363	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+Cl"	33.962126
"273161"	1945.294602	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Cl"	34.969402
"672143"	2900.457202	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+Cl"	34.969402
"1276894"	990.132002	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl"	34.969402
"23825"	1947.273806	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H+K"	36.948606
"466665"	2902.436406	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H+K"	36.948606
"838998"	992.111206	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H+K"	36.948606
"1562486"	992.111206	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K-2H"	36.948606
"956931"	1000.160794	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+HCOOH"	44.998194
"371868"	1955.323401	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+HCOOH-H"	44.998201
"356846"	1969.339051	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Hac-H"	59.013851
"1499115"	1014.176451	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Hac-H"	59.013851
"967751"	1022.142751	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+NaCOOH"	66.980151
"121031"	990.132002	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2Cl"	69.938804
"555125"	1467.713302	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2Cl"	69.938804
"1027205"	512.550702	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2Cl"	69.938804
"1251158"	1034.081485	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Br"	78.918885
"1309231"	1036.137472	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl+HCOOH"	80.974872
"1322353"	1058.119429	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl+NaCOOH"	102.956829
"925087"	1068.148186	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+CF3COOH"	112.985586
"1301432"	1104.124864	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl+CF3COOH"	148.962264
"1372663"	920.149924	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H-2H2O"	-35.012676
"1391256"	938.1599	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H-H2O"	-17.0027
"287662"	1911.332476	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H"	1.007276
"676191"	2866.495076	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H"	1.007276
"1352783"	956.169876	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H"	1.007276
"126519"	956.169876	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2H"	2.014552
"567050"	1433.751176	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2H"	2.014552
"1039866"	478.588576	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2H"	2.014552
"206671"	637.782342666667	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+3H"	3.021828
"646963"	956.169876	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+3H"	3.021828
"1172751"	319.394809333333	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+3H"	3.021828
"438941"	1928.359023	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+NH4"	18.033823
"798843"	2883.521623	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+NH4"	18.033823
"1687152"	973.196423	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+NH4"	18.033823
"337619"	964.6831495	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H+NH4"	19.041099
"728947"	1442.2644495	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H+NH4"	19.041099
"1488966"	487.1018495	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+NH4"	19.041099
"404730"	1933.314418	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Na"	22.989218
"769372"	2888.477018	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+Na"	22.989218
"1616012"	978.151818	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na"	22.989218
"327142"	967.160847	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H+Na"	23.996494
"718470"	1444.742147	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H+Na"	23.996494
"1471197"	489.579547	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+Na"	23.996494
"1063714"	326.722123333333	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2H+Na"	25.00377
"1266852"	988.196086	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+CH3OH+H"	33.033486
"385789"	1949.288358	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+K"	38.963158
"745691"	2904.450958	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+K"	38.963158
"1545556"	994.125758	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K"	38.963158
"306011"	975.147817	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H+K"	39.970434
"699523"	1452.729117	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H+K"	39.970434
"1451155"	497.566517	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+K"	39.970434
"245226"	1952.359026	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+ACN+H"	42.033826
"1215747"	997.196426	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+ACN+H"	42.033826
"1201452"	499.101851	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+ACN+2H"	43.041102
"192136"	1955.29636	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2Na-H"	44.97116
"629262"	2910.45896	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2Na-H"	44.97116
"1132284"	1000.13376	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2Na-H"	44.97116
"173137"	978.151818	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2Na"	45.978436
"613025"	1455.733118	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2Na"	45.978436
"1124116"	500.570518	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2Na"	45.978436
"1401805"	334.049437333333	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+2Na"	46.985712
"1438665"	1002.175346	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+HCOOH"	47.012746
"232735"	983.18484	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+3H2O+2H"	56.04448
"1519706"	1016.22739	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+IsoProp+H"	61.06479
"423408"	986.138788	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Na+K"	61.952376
"785255"	1463.720088	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+Na+K"	61.952376
"1670528"	508.557488	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na+K"	61.952376
"254497"	1974.340968	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+ACN+Na"	64.015768
"1233768"	1019.178368	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+ACN+Na"	64.015768
"1718280"	1019.201893	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+NH4+HCOOH"	64.039293
"1183635"	341.376751333333	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+3Na"	68.967654
"1654621"	1024.157288	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na+HCOOH"	68.994688
"167316"	1987.24424	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2K-H"	76.91904
"604325"	2942.40684	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2K-H"	76.91904
"1094307"	1032.08164	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2K-H"	76.91904
"153312"	994.125758	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2K"	77.926316
"593602"	1471.707058	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2K"	77.926316
"1081758"	516.544458	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2K"	77.926316
"1113877"	1034.096192	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2K+H"	78.933592
"1349533"	1034.183807	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+DMSO+H"	79.021207
"1018792"	1038.222976	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2ACN+H"	83.060376
"1538374"	1039.216608	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+IsoProp+Na+H"	84.054008
"1004455"	519.615126	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2ACN+2H"	84.067652
"1600051"	1040.131228	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K+HCOOH"	84.968628
"1422430"	1070.162738	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+CF3COOH"	115.000138
"1161831"	540.128401	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+3ACN+2H"	125.094202
"1712436"	1087.189285	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+NH4+CF3COOH"	132.026685
"1636830"	1092.14468	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na+CF3COOH"	136.98208
"1575762"	1108.11862	"C09818"	"E-Phenylitaconyl-CoA;(E)-2-Benzylidenesuccinyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K+CF3COOH"	152.95602
"812690"	973.1731	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M"	0
"976381"	954.15471	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H2O-H"	-19.01839
"75563"	647.774790666667	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-3H"	-3.021828
"509656"	972.165824	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-3H"	-3.021828
"887457"	323.383757333333	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-3H"	-3.021828
"11499"	972.165824	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H"	-2.014552
"451062"	1458.752374	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H"	-2.014552
"831912"	485.579274	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H"	-2.014552
"93605"	1945.338924	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-H"	-1.007276
"533287"	2918.512024	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-H"	-1.007276
"910605"	972.165824	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H"	-1.007276
"59503"	1962.365471	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H+NH4"	16.019271
"501129"	2935.538571	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H+NH4"	16.019271
"878938"	989.192371	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H+NH4"	16.019271
"47047"	1967.320866	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H+Na"	20.974666
"487055"	2940.493966	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H+Na"	20.974666
"863110"	994.147766	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H+Na"	20.974666
"1631305"	994.147766	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na-2H"	20.974666
"104912"	990.154163	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-H+Cl"	33.962126
"543378"	1476.740713	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-H+Cl"	33.962126
"940543"	503.567613	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+Cl"	33.962126
"278740"	1981.315602	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Cl"	34.969402
"672255"	2954.488702	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+Cl"	34.969402
"1280285"	1008.142502	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl"	34.969402
"23935"	1983.294806	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M-2H+K"	36.948606
"465682"	2956.467906	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M-2H+K"	36.948606
"836921"	1010.121706	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-2H+K"	36.948606
"1560408"	1010.121706	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K-2H"	36.948606
"955947"	1018.171294	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+HCOOH"	44.998194
"373068"	1991.344401	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+HCOOH-H"	44.998201
"356952"	2005.360051	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Hac-H"	59.013851
"1504692"	1032.186951	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Hac-H"	59.013851
"965672"	1040.153251	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+NaCOOH"	66.980151
"121140"	1008.142502	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2Cl"	69.938804
"560703"	1494.729052	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2Cl"	69.938804
"1024398"	521.555952	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2Cl"	69.938804
"1244706"	1052.091985	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Br"	78.918885
"1307152"	1054.147972	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl+HCOOH"	80.974872
"1322825"	1076.129929	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl+NaCOOH"	102.956829
"924837"	1086.158686	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M-H+CF3COOH"	112.985586
"1303367"	1122.135364	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Cl+CF3COOH"	148.962264
"1382256"	938.160424	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H-2H2O"	-35.012676
"1393554"	956.1704	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H-H2O"	-17.0027
"291054"	1947.353476	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H"	1.007276
"682381"	2920.526576	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H"	1.007276
"1357636"	974.180376	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H"	1.007276
"132713"	974.180376	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2H"	2.014552
"573365"	1460.766926	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2H"	2.014552
"1039245"	487.593826	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2H"	2.014552
"210067"	649.789342666667	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+3H"	3.021828
"647802"	974.180376	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+3H"	3.021828
"1176752"	325.398309333333	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+3H"	3.021828
"435407"	1964.380023	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+NH4"	18.033823
"797131"	2937.553123	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+NH4"	18.033823
"1690544"	991.206923	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+NH4"	18.033823
"343562"	982.6936495	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H+NH4"	19.041099
"730151"	1469.2801995	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H+NH4"	19.041099
"1488347"	496.1070995	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+NH4"	19.041099
"407397"	1969.335418	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Na"	22.989218
"769124"	2942.508518	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+Na"	22.989218
"1617102"	996.162318	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na"	22.989218
"329322"	985.171347	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H+Na"	23.996494
"719674"	1471.757897	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H+Na"	23.996494
"1476657"	498.584797	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+Na"	23.996494
"1064919"	332.725623333333	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2H+Na"	25.00377
"1267326"	1006.206586	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+CH3OH+H"	33.033486
"386993"	1985.309358	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+K"	38.963158
"746896"	2958.482458	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+K"	38.963158
"1544573"	1012.136258	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K"	38.963158
"307215"	993.158317	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+H+K"	39.970434
"697447"	1479.744867	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+H+K"	39.970434
"1452360"	506.571767	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+K"	39.970434
"246429"	1988.380026	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+ACN+H"	42.033826
"1221325"	1015.206926	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+ACN+H"	42.033826
"1200469"	508.107101	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+ACN+2H"	43.041102
"195892"	1991.31736	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2Na-H"	44.97116
"632171"	2964.49046	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2Na-H"	44.97116
"1131500"	1018.14426	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2Na-H"	44.97116
"173211"	996.162318	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2Na"	45.978436
"617802"	1482.748868	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2Na"	45.978436
"1125321"	509.575768	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2Na"	45.978436
"1409939"	340.052937333333	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+2Na"	46.985712
"1442056"	1020.185846	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+HCOOH"	47.012746
"235162"	1001.19534	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+3H2O+2H"	56.04448
"1522004"	1034.23789	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+IsoProp+H"	61.06479
"421694"	1004.149288	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+Na+K"	61.952376
"784514"	1490.735838	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+Na+K"	61.952376
"1675742"	517.562738	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na+K"	61.952376
"261169"	2010.361968	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+ACN+Na"	64.015768
"1237890"	1037.188868	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+ACN+Na"	64.015768
"1722038"	1037.212393	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+NH4+HCOOH"	64.039293
"1188121"	347.380251333333	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+3Na"	68.967654
"1658378"	1042.167788	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na+HCOOH"	68.994688
"167792"	2023.26524	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2K-H"	76.91904
"606622"	2996.43834	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2K-H"	76.91904
"1091135"	1050.09214	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2K-H"	76.91904
"153786"	1012.136258	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"2M+2K"	77.926316
"592252"	1498.722808	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"3M+2K"	77.926316
"1080774"	525.549708	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2K"	77.926316
"1114109"	1052.106692	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2K+H"	78.933592
"1349278"	1052.194307	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+DMSO+H"	79.021207
"1019630"	1056.233476	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2ACN+H"	83.060376
"1538729"	1057.227108	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+IsoProp+Na+H"	84.054008
"1005419"	528.620376	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+2ACN+2H"	84.067652
"1602597"	1058.141728	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K+HCOOH"	84.968628
"1424728"	1088.173238	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+H+CF3COOH"	115.000138
"1162708"	549.133651	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+3ACN+2H"	125.094202
"1712225"	1105.199785	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+NH4+CF3COOH"	132.026685
"1641315"	1110.15518	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+Na+CF3COOH"	136.98208
"1575872"	1126.12912	"C09819"	"(Hydroxymethylphenyl)succinyl-CoA"	"C32H46N7O20P3S"	"973.1731"	"M+K+CF3COOH"	152.95602
"806239"	971.1575	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M"	0
"976491"	952.13911	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H2O-H"	-19.01839
"72393"	646.431057333333	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-3H"	-3.021828
"513046"	970.150224	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-3H"	-3.021828
"885380"	322.711890666667	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-3H"	-3.021828
"11609"	970.150224	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H"	-2.014552
"452265"	1455.728974	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H"	-2.014552
"832021"	484.571474	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H"	-2.014552
"93347"	1941.307724	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-H"	-1.007276
"533964"	2912.465224	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-H"	-1.007276
"910915"	970.150224	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H"	-1.007276
"62498"	1958.334271	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H+NH4"	16.019271
"501360"	2929.491771	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H+NH4"	16.019271
"878440"	987.176771	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H+NH4"	16.019271
"46599"	1963.289666	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H+Na"	20.974666
"486681"	2934.447166	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H+Na"	20.974666
"862489"	992.132166	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H+Na"	20.974666
"1632143"	992.132166	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na-2H"	20.974666
"103929"	988.138563	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-H+Cl"	33.962126
"541302"	1473.717313	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-H+Cl"	33.962126
"940776"	502.559813	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+Cl"	33.962126
"275570"	1977.284402	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Cl"	34.969402
"672000"	2948.441902	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+Cl"	34.969402
"1277114"	1006.126902	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl"	34.969402
"24043"	1979.263606	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M-2H+K"	36.948606
"467979"	2950.421106	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M-2H+K"	36.948606
"839218"	1008.106106	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-2H+K"	36.948606
"1561613"	1008.106106	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K-2H"	36.948606
"956059"	1016.155694	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+HCOOH"	44.998194
"373179"	1987.313201	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+HCOOH-H"	44.998201
"357063"	2001.328851	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Hac-H"	59.013851
"1503709"	1030.171351	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Hac-H"	59.013851
"969062"	1038.137651	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+NaCOOH"	66.980151
"125490"	1006.126902	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2Cl"	69.938804
"556438"	1491.705652	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2Cl"	69.938804
"1027424"	520.548152	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2Cl"	69.938804
"1247001"	1050.076385	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Br"	78.918885
"1308356"	1052.132372	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl+HCOOH"	80.974872
"1324756"	1074.114329	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl+NaCOOH"	102.956829
"926525"	1084.143086	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M-H+CF3COOH"	112.985586
"1303361"	1120.119764	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Cl+CF3COOH"	148.962264
"1382596"	936.144824	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H-2H2O"	-35.012676
"1393664"	954.1548	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H-H2O"	-17.0027
"292258"	1943.322276	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H"	1.007276
"682491"	2914.479776	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H"	1.007276
"1361026"	972.164776	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H"	1.007276
"135010"	972.164776	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2H"	2.014552
"573475"	1457.743526	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2H"	2.014552
"1041179"	486.586026	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2H"	2.014552
"208353"	648.445609333333	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+3H"	3.021828
"648276"	972.164776	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+3H"	3.021828
"1175890"	324.726442666667	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+3H"	3.021828
"433330"	1960.348823	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+NH4"	18.033823
"797241"	2931.506323	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+NH4"	18.033823
"1688467"	989.191323	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+NH4"	18.033823
"342578"	980.6780495	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H+NH4"	19.041099
"733542"	1466.2567995	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H+NH4"	19.041099
"1488456"	495.0992995	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+NH4"	19.041099
"404949"	1965.304218	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Na"	22.989218
"764852"	2936.461718	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+Na"	22.989218
"1616964"	994.146718	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na"	22.989218
"326268"	983.155747	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H+Na"	23.996494
"719056"	1468.734497	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H+Na"	23.996494
"1475067"	497.576997	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+Na"	23.996494
"1065760"	332.053756666667	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2H+Na"	25.00377
"1266708"	1004.190986	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+CH3OH+H"	33.033486
"383823"	1981.278158	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+K"	38.963158
"749923"	2952.435658	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+K"	38.963158
"1544683"	1010.120658	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K"	38.963158
"305137"	991.142717	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+H+K"	39.970434
"696464"	1476.721467	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+H+K"	39.970434
"1453563"	505.563967	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+K"	39.970434
"246539"	1984.348826	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+ACN+H"	42.033826
"1219248"	1013.191326	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+ACN+H"	42.033826
"1200215"	507.099301	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+ACN+2H"	43.041102
"195273"	1987.28616	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2Na-H"	44.97116
"635926"	2958.44366	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2Na-H"	44.97116
"1138702"	1016.12866	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2Na-H"	44.97116
"173363"	994.146718	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2Na"	45.978436
"614996"	1479.725468	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2Na"	45.978436
"1125431"	508.567968	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2Na"	45.978436
"1406769"	339.381070666667	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+2Na"	46.985712
"1442166"	1018.170246	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+HCOOH"	47.012746
"228582"	999.17974	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+3H2O+2H"	56.04448
"1522601"	1032.22229	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+IsoProp+H"	61.06479
"423022"	1002.133688	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+Na+K"	61.952376
"784624"	1487.712438	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+Na+K"	61.952376
"1672570"	516.554938	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na+K"	61.952376
"256903"	2006.330768	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+ACN+Na"	64.015768
"1233988"	1035.173268	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+ACN+Na"	64.015768
"1721781"	1035.196793	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+NH4+HCOOH"	64.039293
"1187867"	346.708384666667	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+3Na"	68.967654
"1659217"	1040.152188	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na+HCOOH"	68.994688
"164985"	2019.23404	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2K-H"	76.91904
"604546"	2990.39154	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2K-H"	76.91904
"1091245"	1048.07654	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2K-H"	76.91904
"155598"	1010.120658	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"2M+2K"	77.926316
"594913"	1495.699408	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"3M+2K"	77.926316
"1081977"	524.541908	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2K"	77.926316
"1112882"	1050.091092	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2K+H"	78.933592
"1349266"	1050.178707	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+DMSO+H"	79.021207
"1017918"	1054.217876	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2ACN+H"	83.060376
"1538839"	1055.211508	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+IsoProp+Na+H"	84.054008
"1002490"	527.612576	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+2ACN+2H"	84.067652
"1602616"	1056.126128	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K+HCOOH"	84.968628
"1429457"	1086.157638	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+H+CF3COOH"	115.000138
"1160964"	548.125851	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+3ACN+2H"	125.094202
"1711972"	1103.184185	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+NH4+CF3COOH"	132.026685
"1637050"	1108.13958	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+Na+CF3COOH"	136.98208
"1575982"	1124.11352	"C09820"	"Benzoylsuccinyl-CoA;2-Benzoylsuccinyl-CoA"	"C32H44N7O20P3S"	"971.1575"	"M+K+CF3COOH"	152.95602
"806349"	889.152	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M"	0
"976965"	870.13361	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-H2O-H"	-19.01839
"72503"	591.760724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M-3H"	-3.021828
"509876"	888.144724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M-3H"	-3.021828
"884397"	295.376724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-3H"	-3.021828
"11719"	888.144724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M-2H"	-2.014552
"445812"	1332.720724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M-2H"	-2.014552
"831765"	443.568724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-2H"	-2.014552
"93707"	1777.296724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M-H"	-1.007276
"533994"	2666.448724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M-H"	-1.007276
"910948"	888.144724	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-H"	-1.007276
"62281"	1794.323271	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M-2H+NH4"	16.019271
"502206"	2683.475271	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M-2H+NH4"	16.019271
"879445"	905.171271	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-2H+NH4"	16.019271
"46819"	1799.278666	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M-2H+Na"	20.974666
"486502"	2688.430666	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M-2H+Na"	20.974666
"863446"	910.126666	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-2H+Na"	20.974666
"1632252"	910.126666	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Na-2H"	20.974666
"104039"	906.133063	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M-H+Cl"	33.962126
"542505"	1350.709063	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M-H+Cl"	33.962126
"940397"	461.557063	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-H+Cl"	33.962126
"275680"	1813.273402	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+Cl"	34.969402
"671381"	2702.425402	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+Cl"	34.969402
"1282693"	924.121402	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Cl"	34.969402
"25248"	1815.252606	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M-2H+K"	36.948606
"464810"	2704.404606	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M-2H+K"	36.948606
"844798"	926.100606	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-2H+K"	36.948606
"1566098"	926.100606	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+K-2H"	36.948606
"957629"	934.150194	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-H+HCOOH"	44.998194
"368917"	1823.302201	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+HCOOH-H"	44.998201
"357174"	1837.317851	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+Hac-H"	59.013851
"1506736"	948.165851	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Hac-H"	59.013851
"970267"	956.132151	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-H+NaCOOH"	66.980151
"116986"	924.121402	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+2Cl"	69.938804
"555452"	1368.697402	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+2Cl"	69.938804
"1027532"	479.545402	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2Cl"	69.938804
"1241760"	968.070885	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Br"	78.918885
"1307373"	970.126872	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Cl+HCOOH"	80.974872
"1321951"	992.108829	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Cl+NaCOOH"	102.956829
"925417"	1002.137586	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M-H+CF3COOH"	112.985586
"1301032"	1038.114264	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Cl+CF3COOH"	148.962264
"1380652"	854.139324	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H-2H2O"	-35.012676
"1393774"	872.1493	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H-H2O"	-17.0027
"290181"	1779.311276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+H"	1.007276
"681508"	2668.463276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+H"	1.007276
"1357856"	890.159276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H"	1.007276
"134024"	890.159276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+2H"	2.014552
"567751"	1334.735276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+2H"	2.014552
"1041291"	445.583276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2H"	2.014552
"208828"	593.775276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+3H"	3.021828
"649844"	890.159276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+3H"	3.021828
"1176974"	297.391276	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+3H"	3.021828
"433440"	1796.337823	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+NH4"	18.033823
"798446"	2685.489823	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+NH4"	18.033823
"1692954"	907.185823	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+NH4"	18.033823
"341961"	898.6725495	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+H+NH4"	19.041099
"736206"	1343.2485495	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+H+NH4"	19.041099
"1487473"	454.0965495	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H+NH4"	19.041099
"405059"	1801.293218	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+Na"	22.989218
"769427"	2690.445218	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+Na"	22.989218
"1617325"	912.141218	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Na"	22.989218
"329061"	901.150247	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+H+Na"	23.996494
"719172"	1345.726247	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+H+Na"	23.996494
"1475180"	456.574247	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H+Na"	23.996494
"1066964"	304.71859	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2H+Na"	25.00377
"1264267"	922.185486	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+CH3OH+H"	33.033486
"390496"	1817.267158	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+K"	38.963158
"753315"	2706.419158	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+K"	38.963158
"1554272"	928.115158	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+K"	38.963158
"307435"	909.137217	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+H+K"	39.970434
"695845"	1353.713217	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+H+K"	39.970434
"1451487"	464.561217	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H+K"	39.970434
"247379"	1820.337826	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+ACN+H"	42.033826
"1220452"	931.185826	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+ACN+H"	42.033826
"1203242"	466.096551	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+ACN+2H"	43.041102
"195018"	1823.27516	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+2Na-H"	44.97116
"635672"	2712.42716	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+2Na-H"	44.97116
"1141364"	934.12316	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2Na-H"	44.97116
"175179"	912.141218	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+2Na"	45.978436
"616199"	1356.717218	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+2Na"	45.978436
"1125541"	467.565218	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2Na"	45.978436
"1406879"	312.045904	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H+2Na"	46.985712
"1442276"	936.164746	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H+HCOOH"	47.012746
"224317"	917.17424	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+3H2O+2H"	56.04448
"1522833"	950.21679	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+IsoProp+H"	61.06479
"421914"	920.128188	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+Na+K"	61.952376
"781815"	1364.704188	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+Na+K"	61.952376
"1677779"	475.552188	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Na+K"	61.952376
"263571"	1842.319768	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+ACN+Na"	64.015768
"1234096"	953.167768	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+ACN+Na"	64.015768
"1722619"	953.191293	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+NH4+HCOOH"	64.039293
"1186880"	319.373218	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+3Na"	68.967654
"1657137"	958.146688	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Na+HCOOH"	68.994688
"162906"	1855.22304	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+2K-H"	76.91904
"601374"	2744.37504	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+2K-H"	76.91904
"1091354"	966.07104	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2K-H"	76.91904
"151451"	928.115158	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"2M+2K"	77.926316
"594658"	1372.691158	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"3M+2K"	77.926316
"1075524"	483.539158	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2K"	77.926316
"1114205"	968.085592	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2K+H"	78.933592
"1347311"	968.173207	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+DMSO+H"	79.021207
"1020216"	972.212376	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2ACN+H"	83.060376
"1536154"	973.206008	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+IsoProp+Na+H"	84.054008
"1003693"	486.609826	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+2ACN+2H"	84.067652
"1602450"	974.120628	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+K+HCOOH"	84.968628
"1429323"	1004.152138	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+H+CF3COOH"	115.000138
"1159617"	507.123101	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+3ACN+2H"	125.094202
"1711718"	1021.178685	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+NH4+CF3COOH"	132.026685
"1638252"	1026.13408	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+Na+CF3COOH"	136.98208
"1573904"	1042.10802	"C09821"	"6-Oxocyclohex-1-ene-1-carbonyl-CoA;6-Ketoxycyclohex-1-ene-1-carboxyl-CoA"	"C28H42N7O18P3S"	"889.152"	"M+K+CF3COOH"	152.95602
"806459"	128.0837	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M"	0
"979991"	109.06531	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-H2O-H"	-19.01839
"66050"	84.3818573333333	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M-3H"	-3.021828
"504879"	127.076424	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M-3H"	-3.021828
"884507"	41.6872906666667	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-3H"	-3.021828
"11829"	127.076424	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M-2H"	-2.014552
"445922"	191.118274	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M-2H"	-2.014552
"831755"	63.034574	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-2H"	-2.014552
"94147"	255.160124	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M-H"	-1.007276
"533950"	383.243824	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M-H"	-1.007276
"911335"	127.076424	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-H"	-1.007276
"62143"	272.186671	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M-2H+NH4"	16.019271
"502434"	400.270371	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M-2H+NH4"	16.019271
"879807"	144.102971	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-2H+NH4"	16.019271
"47015"	277.142066	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M-2H+Na"	20.974666
"486618"	405.225766	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M-2H+Na"	20.974666
"864125"	149.058366	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-2H+Na"	20.974666
"1633826"	149.058366	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Na-2H"	20.974666
"106336"	145.064763	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M-H+Cl"	33.962126
"542615"	209.106613	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M-H+Cl"	33.962126
"942330"	81.022913	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-H+Cl"	33.962126
"272511"	291.136802	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+Cl"	34.969402
"670398"	419.220502	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+Cl"	34.969402
"1277335"	163.053102	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Cl"	34.969402
"25358"	293.116006	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M-2H+K"	36.948606
"466014"	421.199706	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M-2H+K"	36.948606
"844907"	165.032306	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-2H+K"	36.948606
"1567301"	165.032306	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+K-2H"	36.948606
"957373"	173.081894	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-H+HCOOH"	44.998194
"372307"	301.165601	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+HCOOH-H"	44.998201
"360443"	315.181251	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+Hac-H"	59.013851
"1507092"	187.097551	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Hac-H"	59.013851
"969283"	195.063851	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-H+NaCOOH"	66.980151
"117096"	163.053102	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+2Cl"	69.938804
"555562"	227.094952	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+2Cl"	69.938804
"1024726"	99.011252	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2Cl"	69.938804
"1241423"	207.002585	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Br"	78.918885
"1307483"	209.058572	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Cl+HCOOH"	80.974872
"1320604"	231.040529	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Cl+NaCOOH"	102.956829
"920424"	241.069286	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M-H+CF3COOH"	112.985586
"1300778"	277.045964	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Cl+CF3COOH"	148.962264
"1380396"	93.071024	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H-2H2O"	-35.012676
"1384404"	111.081	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H-H2O"	-17.0027
"288102"	257.174676	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+H"	1.007276
"678699"	385.258376	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+H"	1.007276
"1360152"	129.090976	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H"	1.007276
"130124"	129.090976	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+2H"	2.014552
"568953"	193.132826	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+2H"	2.014552
"1041401"	65.049126	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2H"	2.014552
"208938"	86.3964093333333	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+3H"	3.021828
"648132"	129.090976	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+3H"	3.021828
"1177569"	43.7018426666667	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+3H"	3.021828
"434644"	274.201223	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+NH4"	18.033823
"797097"	402.284923	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+NH4"	18.033823
"1694887"	146.117523	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+NH4"	18.033823
"341707"	137.6042495	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+H+NH4"	19.041099
"735585"	201.6460995	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+H+NH4"	19.041099
"1487583"	73.5623995	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H+NH4"	19.041099
"405169"	279.156618	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+Na"	22.989218
"769495"	407.240318	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+Na"	22.989218
"1617555"	151.072918	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Na"	22.989218
"328680"	140.081947	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+H+Na"	23.996494
"720739"	204.123797	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+H+Na"	23.996494
"1476502"	76.040097	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H+Na"	23.996494
"1064886"	51.0291566666667	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2H+Na"	25.00377
"1268386"	161.117186	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+CH3OH+H"	33.033486
"388418"	295.130558	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+K"	38.963158
"753060"	423.214258	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+K"	38.963158
"1554017"	167.046858	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+K"	38.963158
"306454"	148.068917	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+H+K"	39.970434
"694864"	212.110767	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+H+K"	39.970434
"1448317"	84.027067	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H+K"	39.970434
"240200"	298.201226	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+ACN+H"	42.033826
"1219469"	170.117526	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+ACN+H"	42.033826
"1202259"	85.562401	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+ACN+2H"	43.041102
"199502"	301.13856	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+2Na-H"	44.97116
"635782"	429.22226	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+2Na-H"	44.97116
"1138194"	173.05486	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2Na-H"	44.97116
"175165"	151.072918	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+2Na"	45.978436
"614610"	215.114768	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+2Na"	45.978436
"1124557"	87.031068	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2Na"	45.978436
"1408082"	58.3564706666667	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H+2Na"	46.985712
"1442386"	175.096446	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H+HCOOH"	47.012746
"228802"	156.10594	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+3H2O+2H"	56.04448
"1522334"	189.14849	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+IsoProp+H"	61.06479
"422636"	159.059888	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+Na+K"	61.952376
"784843"	223.101738	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+Na+K"	61.952376
"1674973"	95.018038	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Na+K"	61.952376
"263682"	320.183168	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+ACN+Na"	64.015768
"1235297"	192.099468	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+ACN+Na"	64.015768
"1721998"	192.122993	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+NH4+HCOOH"	64.039293
"1186260"	65.6837846666667	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+3Na"	68.967654
"1657248"	197.078388	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Na+HCOOH"	68.994688
"163744"	333.08644	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+2K-H"	76.91904
"605857"	461.17014	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+2K-H"	76.91904
"1094744"	205.00274	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2K-H"	76.91904
"150468"	167.046858	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"2M+2K"	77.926316
"594039"	231.088708	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"3M+2K"	77.926316
"1075634"	103.005008	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2K"	77.926316
"1113099"	207.017292	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2K+H"	78.933592
"1346327"	207.104907	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+DMSO+H"	79.021207
"1020205"	211.144076	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2ACN+H"	83.060376
"1536264"	212.137708	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+IsoProp+Na+H"	84.054008
"1003682"	106.075676	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+2ACN+2H"	84.067652
"1599400"	213.052328	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+K+HCOOH"	84.968628
"1427247"	243.083838	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+H+CF3COOH"	115.000138
"1160819"	126.588951	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+3ACN+2H"	125.094202
"1711098"	260.110385	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+NH4+CF3COOH"	132.026685
"1636540"	265.06578	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+Na+CF3COOH"	136.98208
"1576201"	281.03972	"C09822"	"Cyclohexane-1-carboxylate;Cyclohexanecarboxylic acid;Hexahydrobenzoic acid"	"C7H12O2"	"128.0837"	"M+K+CF3COOH"	152.95602
"807662"	877.1884	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M"	0
"977912"	858.17001	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H2O-H"	-19.01839
"66160"	583.784990666667	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-3H"	-3.021828
"506446"	876.181124	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-3H"	-3.021828
"887897"	291.388857333333	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-3H"	-3.021828
"11939"	876.181124	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H"	-2.014552
"446032"	1314.775324	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H"	-2.014552
"832560"	437.586924	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H"	-2.014552
"94261"	1753.369524	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-H"	-1.007276
"534015"	2630.557924	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-H"	-1.007276
"911046"	876.181124	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H"	-1.007276
"62577"	1770.396071	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+NH4"	16.019271
"502668"	2647.584471	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+NH4"	16.019271
"879835"	893.207671	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+NH4"	16.019271
"46831"	1775.351466	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+Na"	20.974666
"486886"	2652.539866	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+Na"	20.974666
"862569"	898.163066	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+Na"	20.974666
"1631740"	898.163066	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na-2H"	20.974666
"103164"	894.169463	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-H+Cl"	33.962126
"543816"	1332.763663	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-H+Cl"	33.962126
"942566"	455.575263	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+Cl"	33.962126
"273713"	1789.346202	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Cl"	34.969402
"670507"	2666.534602	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Cl"	34.969402
"1276352"	912.157802	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl"	34.969402
"24375"	1791.325406	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+K"	36.948606
"467217"	2668.513806	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+K"	36.948606
"845017"	914.137006	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+K"	36.948606
"1568504"	914.137006	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K-2H"	36.948606
"957403"	922.186594	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+HCOOH"	44.998194
"372417"	1799.375001	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+HCOOH-H"	44.998201
"358487"	1813.390651	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Hac-H"	59.013851
"1508014"	936.202251	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Hac-H"	59.013851
"970486"	944.168551	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+NaCOOH"	66.980151
"118299"	912.157802	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Cl"	69.938804
"555672"	1350.752002	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Cl"	69.938804
"1025200"	473.563602	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Cl"	69.938804
"1242469"	956.107285	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Br"	78.918885
"1309780"	958.163272	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+HCOOH"	80.974872
"1323266"	980.145229	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+NaCOOH"	102.956829
"923086"	990.173986	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+CF3COOH"	112.985586
"1300888"	1026.150664	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+CF3COOH"	148.962264
"1381115"	842.175724	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H-2H2O"	-35.012676
"1388525"	860.1857	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H-H2O"	-17.0027
"291492"	1755.384076	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H"	1.007276
"680633"	2632.572476	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H"	1.007276
"1361355"	878.195676	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H"	1.007276
"129870"	878.195676	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2H"	2.014552
"567968"	1316.789876	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2H"	2.014552
"1040051"	439.601476	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2H"	2.014552
"207224"	585.799542666667	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+3H"	3.021828
"648608"	878.195676	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+3H"	3.021828
"1176221"	293.403409333333	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3H"	3.021828
"432567"	1772.410623	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+NH4"	18.033823
"794655"	2649.599023	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+NH4"	18.033823
"1693174"	895.222223	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4"	18.033823
"338172"	886.7089495	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+NH4"	19.041099
"734966"	1325.3031495	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+NH4"	19.041099
"1487693"	448.1147495	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+NH4"	19.041099
"405279"	1777.366018	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Na"	22.989218
"768099"	2654.554418	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Na"	22.989218
"1618435"	900.177618	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na"	22.989218
"329156"	889.186647	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+Na"	23.996494
"722742"	1327.780847	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+Na"	23.996494
"1476368"	450.592447	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+Na"	23.996494
"1067548"	300.730723333333	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2H+Na"	25.00377
"1271047"	910.221886	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+CH3OH+H"	33.033486
"391080"	1793.339958	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+K"	38.963158
"752075"	2670.528358	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+K"	38.963158
"1554856"	916.151558	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K"	38.963158
"311666"	897.173617	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+K"	39.970434
"697890"	1335.767817	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+K"	39.970434
"1451707"	458.579417	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+K"	39.970434
"241403"	1796.410626	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+ACN+H"	42.033826
"1218486"	919.222226	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+H"	42.033826
"1204555"	460.114751	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+2H"	43.041102
"199612"	1799.34796	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Na-H"	44.97116
"635892"	2676.53636	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Na-H"	44.97116
"1138304"	922.15956	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Na-H"	44.97116
"176856"	900.177618	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Na"	45.978436
"616054"	1338.771818	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Na"	45.978436
"1124667"	461.583418	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Na"	45.978436
"1408192"	308.058037333333	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+2Na"	46.985712
"1442496"	924.201146	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+HCOOH"	47.012746
"228912"	905.21064	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+3H2O+2H"	56.04448
"1519164"	938.25319	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+IsoProp+H"	61.06479
"424222"	908.164588	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Na+K"	61.952376
"785562"	1346.758788	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Na+K"	61.952376
"1678364"	469.570388	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+K"	61.952376
"263428"	1818.392568	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+ACN+Na"	64.015768
"1237595"	941.204168	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+Na"	64.015768
"1724296"	941.227693	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4+HCOOH"	64.039293
"1188193"	315.385351333333	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3Na"	68.967654
"1659544"	946.183088	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+HCOOH"	68.994688
"164218"	1831.29584	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2K-H"	76.91904
"608154"	2708.48424	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2K-H"	76.91904
"1092669"	954.10744	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K-H"	76.91904
"150578"	916.151558	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2K"	77.926316
"593420"	1354.745758	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2K"	77.926316
"1075744"	477.557358	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K"	77.926316
"1114060"	956.121992	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K+H"	78.933592
"1350447"	956.209607	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+DMSO+H"	79.021207
"1020314"	960.248776	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2ACN+H"	83.060376
"1537344"	961.242408	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+IsoProp+Na+H"	84.054008
"1004644"	480.628026	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2ACN+2H"	84.067652
"1602725"	962.157028	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K+HCOOH"	84.968628
"1427357"	992.188538	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+CF3COOH"	115.000138
"1161658"	501.141301	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3ACN+2H"	125.094202
"1712466"	1009.215085	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4+CF3COOH"	132.026685
"1636286"	1014.17048	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+CF3COOH"	136.98208
"1574124"	1030.14442	"C09823"	"Cyclohexane-1-carboxyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K+CF3COOH"	152.95602
"806679"	909.1782	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M"	0
"978022"	890.15981	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H2O-H"	-19.01839
"66270"	605.111524	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-3H"	-3.021828
"503154"	908.170924	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-3H"	-3.021828
"888007"	302.052124	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-3H"	-3.021828
"12049"	908.170924	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H"	-2.014552
"446142"	1362.760024	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H"	-2.014552
"832706"	453.581824	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H"	-2.014552
"94155"	1817.349124	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-H"	-1.007276
"533875"	2726.527324	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-H"	-1.007276
"911149"	908.170924	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H"	-1.007276
"62120"	1834.375671	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H+NH4"	16.019271
"500586"	2743.553871	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H+NH4"	16.019271
"879813"	925.197471	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H+NH4"	16.019271
"45319"	1839.331066	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H+Na"	20.974666
"486669"	2748.509266	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H+Na"	20.974666
"861221"	930.152866	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H+Na"	20.974666
"1631486"	930.152866	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na-2H"	20.974666
"101088"	926.159263	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-H+Cl"	33.962126
"542833"	1380.748363	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-H+Cl"	33.962126
"934166"	471.570163	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+Cl"	33.962126
"273823"	1853.325802	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Cl"	34.969402
"669524"	2762.504002	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+Cl"	34.969402
"1281930"	944.147602	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl"	34.969402
"24484"	1855.305006	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M-2H+K"	36.948606
"467326"	2764.483206	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M-2H+K"	36.948606
"846586"	946.126806	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-2H+K"	36.948606
"1568614"	946.126806	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K-2H"	36.948606
"957230"	954.176394	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+HCOOH"	44.998194
"372527"	1863.354601	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+HCOOH-H"	44.998201
"354222"	1877.370251	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Hac-H"	59.013851
"1507068"	968.192051	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Hac-H"	59.013851
"970596"	976.158351	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+NaCOOH"	66.980151
"124972"	944.147602	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2Cl"	69.938804
"559063"	1398.736702	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2Cl"	69.938804
"1024582"	489.558502	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2Cl"	69.938804
"1243430"	988.097085	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Br"	78.918885
"1308797"	990.153072	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl+HCOOH"	80.974872
"1320824"	1012.135029	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl+NaCOOH"	102.956829
"924291"	1022.163786	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M-H+CF3COOH"	112.985586
"1301362"	1058.140464	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Cl+CF3COOH"	148.962264
"1380616"	874.165524	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H-2H2O"	-35.012676
"1389729"	892.1755	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H-H2O"	-17.0027
"288686"	1819.363676	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H"	1.007276
"678191"	2728.541876	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H"	1.007276
"1360372"	910.185476	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H"	1.007276
"131073"	910.185476	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2H"	2.014552
"568809"	1364.774576	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2H"	2.014552
"1040526"	455.596376	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2H"	2.014552
"207334"	607.126076	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+3H"	3.021828
"648354"	910.185476	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+3H"	3.021828
"1176697"	304.066676	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+3H"	3.021828
"434500"	1836.390223	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+NH4"	18.033823
"795858"	2745.568423	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+NH4"	18.033823
"1692191"	927.212023	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+NH4"	18.033823
"340105"	918.6987495	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H+NH4"	19.041099
"735441"	1373.2878495	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H+NH4"	19.041099
"1488532"	464.1096495	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+NH4"	19.041099
"405389"	1841.345618	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Na"	22.989218
"768574"	2750.523818	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+Na"	22.989218
"1618099"	932.167418	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na"	22.989218
"329799"	921.176447	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H+Na"	23.996494
"722779"	1375.765547	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H+Na"	23.996494
"1476559"	466.587347	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+Na"	23.996494
"1066563"	311.39399	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2H+Na"	25.00377
"1272340"	942.211686	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+CH3OH+H"	33.033486
"390462"	1857.319558	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+K"	38.963158
"750728"	2766.497758	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+K"	38.963158
"1555293"	948.141358	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K"	38.963158
"313235"	929.163417	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+H+K"	39.970434
"701280"	1383.752517	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+H+K"	39.970434
"1451817"	474.574317	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+K"	39.970434
"242606"	1860.390226	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+ACN+H"	42.033826
"1218595"	951.212026	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+ACN+H"	42.033826
"1205761"	476.109651	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+ACN+2H"	43.041102
"200817"	1863.32756	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2Na-H"	44.97116
"633814"	2772.50576	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2Na-H"	44.97116
"1135498"	954.14936	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2Na-H"	44.97116
"176240"	932.167418	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2Na"	45.978436
"614709"	1386.756518	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2Na"	45.978436
"1120402"	477.578318	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2Na"	45.978436
"1406114"	318.721304	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+2Na"	46.985712
"1439326"	956.190946	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+HCOOH"	47.012746
"226835"	937.20044	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+3H2O+2H"	56.04448
"1522555"	970.24299	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+IsoProp+H"	61.06479
"422973"	940.154388	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+Na+K"	61.952376
"785584"	1394.743488	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+Na+K"	61.952376
"1676287"	485.565288	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na+K"	61.952376
"263173"	1882.372168	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+ACN+Na"	64.015768
"1237705"	973.193968	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+ACN+Na"	64.015768
"1723313"	973.217493	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+NH4+HCOOH"	64.039293
"1189396"	326.048618	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+3Na"	68.967654
"1659654"	978.172888	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na+HCOOH"	68.994688
"164328"	1895.27544	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2K-H"	76.91904
"609357"	2804.45364	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2K-H"	76.91904
"1093872"	986.09724	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2K-H"	76.91904
"151781"	948.141358	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"2M+2K"	77.926316
"591343"	1402.730458	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"3M+2K"	77.926316
"1075854"	493.552258	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2K"	77.926316
"1113440"	988.111792	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2K+H"	78.933592
"1345451"	988.199407	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+DMSO+H"	79.021207
"1020303"	992.238576	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2ACN+H"	83.060376
"1536482"	993.232208	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+IsoProp+Na+H"	84.054008
"1004023"	496.622926	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+2ACN+2H"	84.067652
"1599620"	994.146828	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K+HCOOH"	84.968628
"1428558"	1024.178338	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+H+CF3COOH"	115.000138
"1162750"	517.136201	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+3ACN+2H"	125.094202
"1711683"	1041.204885	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+NH4+CF3COOH"	132.026685
"1636396"	1046.16028	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+Na+CF3COOH"	136.98208
"1574234"	1062.13422	"C09824"	"26-Dihydroxycyclohexane-1-carboxyl-CoA"	"C28H46N7O19P3S"	"909.1782"	"M+K+CF3COOH"	152.95602
"806789"	907.1626	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M"	0
"977403"	888.14421	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H2O-H"	-19.01839
"67473"	603.767790666667	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-3H"	-3.021828
"504844"	906.155324	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-3H"	-3.021828
"888117"	301.380257333333	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-3H"	-3.021828
"12159"	906.155324	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H"	-2.014552
"449532"	1359.736624	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H"	-2.014552
"831963"	452.574024	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H"	-2.014552
"93171"	1813.317924	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-H"	-1.007276
"532972"	2720.480524	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-H"	-1.007276
"911143"	906.155324	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H"	-1.007276
"61867"	1830.344471	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H+NH4"	16.019271
"502035"	2737.507071	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H+NH4"	16.019271
"879475"	923.181871	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H+NH4"	16.019271
"43971"	1835.299866	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H+Na"	20.974666
"485842"	2742.462466	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H+Na"	20.974666
"859509"	928.137266	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H+Na"	20.974666
"1629044"	928.137266	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na-2H"	20.974666
"99012"	924.143663	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-H+Cl"	33.962126
"538571"	1377.724963	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-H+Cl"	33.962126
"934276"	470.562363	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+Cl"	33.962126
"273933"	1849.294602	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Cl"	34.969402
"671821"	2756.457202	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+Cl"	34.969402
"1284227"	942.132002	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl"	34.969402
"23501"	1851.273806	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M-2H+K"	36.948606
"467435"	2758.436406	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M-2H+K"	36.948606
"844145"	944.111206	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-2H+K"	36.948606
"1566538"	944.111206	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K-2H"	36.948606
"956249"	952.160794	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+HCOOH"	44.998194
"372637"	1859.323401	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+HCOOH-H"	44.998201
"354332"	1873.339051	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Hac-H"	59.013851
"1507300"	966.176451	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Hac-H"	59.013851
"968519"	974.142751	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+NaCOOH"	66.980151
"124718"	942.132002	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2Cl"	69.938804
"555893"	1395.713302	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2Cl"	69.938804
"1024691"	488.550702	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2Cl"	69.938804
"1242447"	986.081485	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Br"	78.918885
"1305261"	988.137472	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl+HCOOH"	80.974872
"1321051"	1010.119429	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl+NaCOOH"	102.956829
"922942"	1020.148186	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M-H+CF3COOH"	112.985586
"1300744"	1056.124864	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Cl+CF3COOH"	148.962264
"1379998"	872.149924	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H-2H2O"	-35.012676
"1390932"	890.1599	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H-H2O"	-17.0027
"291712"	1815.332476	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H"	1.007276
"680853"	2722.495076	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H"	1.007276
"1361575"	908.169876	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H"	1.007276
"131183"	908.169876	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2H"	2.014552
"568919"	1361.751176	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2H"	2.014552
"1038813"	454.588576	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2H"	2.014552
"206714"	605.782342666667	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+3H"	3.021828
"646277"	908.169876	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+3H"	3.021828
"1176441"	303.394809333333	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+3H"	3.021828
"437160"	1832.359023	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+NH4"	18.033823
"794875"	2739.521623	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+NH4"	18.033823
"1694124"	925.196423	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+NH4"	18.033823
"339122"	916.6831495	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H+NH4"	19.041099
"735551"	1370.2644495	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H+NH4"	19.041099
"1486820"	463.1018495	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+NH4"	19.041099
"404406"	1837.314418	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Na"	22.989218
"768319"	2744.477018	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+Na"	22.989218
"1615690"	930.151818	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na"	22.989218
"329135"	919.160847	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H+Na"	23.996494
"720219"	1372.742147	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H+Na"	23.996494
"1475498"	465.579547	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+Na"	23.996494
"1067527"	310.722123333333	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2H+Na"	25.00377
"1272744"	940.196086	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+CH3OH+H"	33.033486
"391665"	1853.288358	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+K"	38.963158
"752663"	2760.450958	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+K"	38.963158
"1554594"	946.125758	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K"	38.963158
"312252"	927.147817	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+H+K"	39.970434
"703943"	1380.729117	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+H+K"	39.970434
"1453021"	473.566517	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+K"	39.970434
"245996"	1856.359026	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+ACN+H"	42.033826
"1222354"	949.196426	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+ACN+H"	42.033826
"1207692"	475.101851	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+ACN+2H"	43.041102
"202021"	1859.29636	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2Na-H"	44.97116
"633924"	2766.45896	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2Na-H"	44.97116
"1135608"	952.13376	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2Na-H"	44.97116
"185097"	930.151818	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2Na"	45.978436
"621377"	1383.733118	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2Na"	45.978436
"1118323"	476.570518	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2Na"	45.978436
"1406224"	318.049437333333	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+2Na"	46.985712
"1439436"	954.175346	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+HCOOH"	47.012746
"226945"	935.18484	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+3H2O+2H"	56.04448
"1520116"	968.22739	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+IsoProp+H"	61.06479
"422356"	938.138788	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+Na+K"	61.952376
"783351"	1391.720088	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+Na+K"	61.952376
"1677857"	484.557488	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na+K"	61.952376
"263284"	1878.340968	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+ACN+Na"	64.015768
"1240370"	971.178368	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+ACN+Na"	64.015768
"1723790"	971.201893	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+NH4+HCOOH"	64.039293
"1192789"	325.376751333333	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+3Na"	68.967654
"1659765"	976.157288	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na+HCOOH"	68.994688
"164438"	1891.24424	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2K-H"	76.91904
"602906"	2798.40684	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2K-H"	76.91904
"1093617"	984.08164	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2K-H"	76.91904
"148245"	946.125758	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"2M+2K"	77.926316
"589264"	1399.707058	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"3M+2K"	77.926316
"1075964"	492.544458	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2K"	77.926316
"1113187"	986.096192	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2K+H"	78.933592
"1345561"	986.183807	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+DMSO+H"	79.021207
"1014093"	990.222976	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2ACN+H"	83.060376
"1536590"	991.216608	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+IsoProp+Na+H"	84.054008
"1003889"	495.615126	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+2ACN+2H"	84.067652
"1597541"	992.131228	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K+HCOOH"	84.968628
"1419920"	1022.162738	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+H+CF3COOH"	115.000138
"1157864"	516.128401	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+3ACN+2H"	125.094202
"1709601"	1039.189285	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+NH4+CF3COOH"	132.026685
"1635777"	1044.14468	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+Na+CF3COOH"	136.98208
"1576531"	1060.11862	"C09825"	"2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA"	"C28H44N7O19P3S"	"907.1626"	"M+K+CF3COOH"	152.95602
"806899"	272.0685	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M"	0
"975689"	253.05011	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"65394"	180.371724	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"505316"	271.061224	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"881660"	89.682224	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"2422"	271.061224	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"441007"	407.095474	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"831714"	135.026974	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"93405"	543.129724	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"534062"	815.198224	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"910650"	271.061224	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"61007"	560.156271	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"501420"	832.224771	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"879345"	288.087771	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"45907"	565.111666	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"485467"	837.180166	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"859619"	293.043166	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1626970"	293.043166	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"100216"	289.049563	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"537589"	425.083813	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"934386"	153.015313	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"277321"	579.106402	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"673509"	851.174902	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1285431"	307.037902	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"22519"	581.085606	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"464265"	853.154106	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"844255"	309.017106	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1566648"	309.017106	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"957453"	317.066694	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"370560"	589.135201	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"355535"	603.150851	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1506195"	331.082351	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"968629"	339.048651	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"120817"	307.037902	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"556003"	443.072152	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1021598"	171.003652	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1242557"	350.987385	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1305371"	353.043372	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1321039"	375.025329	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"925240"	385.054086	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1303043"	421.030764	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1380106"	237.055824	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1392136"	255.0658	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"292551"	545.144276	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"680963"	817.212776	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1361685"	273.075776	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"134573"	273.075776	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"570852"	409.110026	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1038072"	137.041526	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"206460"	182.386276	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"647480"	273.075776	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1177645"	91.696776	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"437635"	562.170823	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"797538"	834.239323	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1690224"	290.102323	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"342877"	281.5890495	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"736025"	417.6232995	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1488023"	145.5547995	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"404516"	567.126218	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"768923"	839.194718	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1613978"	295.057718	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"329613"	284.066747	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"722396"	420.100997	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1472086"	148.032497	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1067883"	99.02409	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1271377"	305.101986	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"392263"	583.100158	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"753263"	855.168658	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1554092"	311.031658	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"310904"	292.053717	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"702595"	428.087967	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1452038"	156.019467	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"243919"	586.170826	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1223436"	314.102326	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1207802"	157.554801	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"202494"	589.10816	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"633668"	861.17666	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1136811"	317.03966	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"183020"	295.057718	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"624767"	431.091968	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1119526"	159.023468	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1403779"	106.351404	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1439546"	319.081246	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"227055"	300.09074	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1519862"	333.13329	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"423319"	303.044688	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"785163"	439.078938	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1677604"	167.010438	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"262665"	608.152768	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1239022"	336.084268	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1725358"	336.107793	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1191440"	113.678718	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1660968"	341.063188	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"165276"	621.05604	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"603016"	893.12454	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1095549"	348.98754	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"148355"	311.031658	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"589009"	447.065908	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1076072"	174.997408	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1114634"	351.002092	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1346764"	351.089707	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1014203"	355.128876	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1536700"	356.122508	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1002055"	178.068076	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1597651"	357.037128	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1418207"	387.068638	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1159067"	198.581351	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1711534"	404.095185	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1637709"	409.05058	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1576641"	425.02452	"C09826"	"Pinobanksin;357-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"807009"	256.0736	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M"	0
"977258"	237.05521	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"66599"	169.708457333333	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"508340"	255.066324	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"881284"	84.3505906666667	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"1438"	255.066324	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"444277"	383.103124	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"828651"	127.029524	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"94186"	511.139924	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"532456"	767.213524	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"910034"	255.066324	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"62223"	528.166471	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"502260"	784.240071	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"879099"	272.092871	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"46666"	533.121866	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"486312"	789.195466	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"863011"	277.048266	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1632793"	277.048266	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"104700"	273.054663	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"544260"	401.091463	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"934496"	145.017863	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"279620"	547.116602	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"674109"	803.190202	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1285908"	291.043002	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"29190"	549.095806	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"470573"	805.169406	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"846552"	293.022206	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1567851"	293.022206	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"956835"	301.071794	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"373950"	557.145401	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"359657"	571.161051	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1507032"	315.087451	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"969832"	323.053751	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"120563"	291.043002	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"558301"	419.079802	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1028191"	163.006202	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1242179"	334.992485	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1305114"	337.048472	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1320057"	359.030429	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"912572"	369.059186	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1300601"	405.035864	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1380217"	221.060924	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1391153"	239.0709	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"293025"	513.154476	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"685447"	769.228076	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1363983"	257.080876	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"136871"	257.080876	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"574244"	385.117676	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1041950"	129.044076	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"209852"	171.723009333333	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"649413"	257.080876	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1177023"	86.3651426666667	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"439730"	530.181023	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"798376"	786.254623	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1691428"	274.107423	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"341891"	265.5941495	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"736137"	393.6309495	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1489955"	137.5573495	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"407913"	535.136418	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"768542"	791.210018	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1613359"	279.062818	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"327048"	268.071847	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"721653"	396.108647	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1474379"	140.035047	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1068320"	93.6924566666667	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1272546"	289.107086	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"392418"	551.110358	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"752518"	807.183958	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1555180"	295.036758	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"311742"	276.058817	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"703436"	404.095617	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1452149"	148.022017	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"241844"	554.181026	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1213458"	298.107426	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1198070"	149.557351	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"191671"	557.11836	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"633053"	813.19196	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1135463"	301.04476	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"183129"	279.062818	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"617223"	407.099618	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1118297"	151.026018	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1402432"	101.019770666667	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1438561"	303.086346	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"227163"	284.09584	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1520701"	317.13839	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"423433"	287.049788	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"783937"	415.086588	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1678078"	159.012988	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"266425"	576.162968	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1239988"	320.089368	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1726561"	320.112893	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1193132"	108.347084666667	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1663267"	325.068288	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"171832"	589.06624	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"609325"	845.13984	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1094931"	332.99264	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"154662"	295.036758	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"586203"	423.073558	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1081654"	166.999958	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1113768"	335.007192	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1346143"	335.094807	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1007746"	339.133976	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1531341"	340.127608	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"994508"	170.070626	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1590104"	341.042228	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1420138"	371.073738	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1155895"	190.583901	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1699248"	388.100285	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1634332"	393.05568	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1574564"	409.02962	"C09827"	"Pinocembrin;57-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"807119"	564.1843	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M"	0
"974479"	545.16591	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-H2O-H"	-19.01839
"63671"	375.115590666667	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M-3H"	-3.021828
"503350"	563.177024	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M-3H"	-3.021828
"881153"	187.054157333333	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-3H"	-3.021828
"819"	563.177024	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M-2H"	-2.014552
"440378"	845.269174	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M-2H"	-2.014552
"826574"	281.084874	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-2H"	-2.014552
"93128"	1127.361324	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M-H"	-1.007276
"528313"	1691.545624	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M-H"	-1.007276
"911192"	563.177024	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-H"	-1.007276
"62443"	1144.387871	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M-2H+NH4"	16.019271
"502699"	1708.572171	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M-2H+NH4"	16.019271
"879615"	580.203571	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-2H+NH4"	16.019271
"46367"	1149.343266	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M-2H+Na"	20.974666
"485320"	1713.527566	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M-2H+Na"	20.974666
"862392"	585.158966	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-2H+Na"	20.974666
"1633629"	585.158966	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Na-2H"	20.974666
"103717"	581.165363	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M-H+Cl"	33.962126
"542183"	863.257513	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M-H+Cl"	33.962126
"933513"	299.073213	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-H+Cl"	33.962126
"281554"	1163.338002	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+Cl"	34.969402
"675186"	1727.522302	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+Cl"	34.969402
"1286747"	599.153702	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Cl"	34.969402
"27112"	1165.317206	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M-2H+K"	36.948606
"471046"	1729.501506	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M-2H+K"	36.948606
"847026"	601.132906	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-2H+K"	36.948606
"1567961"	601.132906	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+K-2H"	36.948606
"957673"	609.182494	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-H+HCOOH"	44.998194
"372967"	1173.366801	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+HCOOH-H"	44.998201
"357580"	1187.382451	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+Hac-H"	59.013851
"1507142"	623.198151	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Hac-H"	59.013851
"969942"	631.164451	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-H+NaCOOH"	66.980151
"121037"	599.153702	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+2Cl"	69.938804
"558411"	881.245852	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+2Cl"	69.938804
"1028301"	317.061552	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2Cl"	69.938804
"1242168"	643.103185	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Br"	78.918885
"1305344"	645.159172	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Cl+HCOOH"	80.974872
"1320653"	667.141129	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Cl+NaCOOH"	102.956829
"913046"	677.169886	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M-H+CF3COOH"	112.985586
"1300706"	713.146564	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Cl+CF3COOH"	148.962264
"1381419"	529.171624	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H-2H2O"	-35.012676
"1392356"	547.1816	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H-H2O"	-17.0027
"289855"	1129.375876	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+H"	1.007276
"686286"	1693.560176	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+H"	1.007276
"1361906"	565.191576	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H"	1.007276
"136253"	565.191576	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+2H"	2.014552
"575447"	847.283726	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+2H"	2.014552
"1040967"	283.099426	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2H"	2.014552
"208868"	377.130142666667	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+3H"	3.021828
"649523"	565.191576	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+3H"	3.021828
"1176648"	189.068709333333	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+3H"	3.021828
"439310"	1146.402423	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+NH4"	18.033823
"797758"	1710.586723	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+NH4"	18.033823
"1691174"	582.218123	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+NH4"	18.033823
"340909"	573.7048495	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+H+NH4"	19.041099
"735881"	855.7969995	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+H+NH4"	19.041099
"1490064"	291.6126995	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H+NH4"	19.041099
"408384"	1151.357818	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+Na"	22.989218
"767559"	1715.542118	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+Na"	22.989218
"1613833"	587.173518	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Na"	22.989218
"326792"	576.182547	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+H+Na"	23.996494
"722496"	858.274697	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+H+Na"	23.996494
"1475582"	294.090397	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H+Na"	23.996494
"1068022"	196.396023333333	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2H+Na"	25.00377
"1271598"	597.217786	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+CH3OH+H"	33.033486
"392532"	1167.331758	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+K"	38.963158
"753358"	1731.516058	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+K"	38.963158
"1555248"	603.147458	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+K"	38.963158
"312580"	584.169517	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+H+K"	39.970434
"702815"	866.261667	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+H+K"	39.970434
"1451166"	302.077367	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H+K"	39.970434
"241954"	1170.402426	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+ACN+H"	42.033826
"1212474"	606.218126	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+ACN+H"	42.033826
"1197815"	303.612701	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+ACN+2H"	43.041102
"191781"	1173.33976	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+2Na-H"	44.97116
"636444"	1737.52406	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+2Na-H"	44.97116
"1135939"	609.15546	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2Na-H"	44.97116
"182146"	587.173518	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+2Na"	45.978436
"616967"	869.265668	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+2Na"	45.978436
"1119013"	305.081368	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2Na"	45.978436
"1400231"	203.723337333333	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H+2Na"	46.985712
"1438671"	611.197046	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H+HCOOH"	47.012746
"227273"	592.20654	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+3H2O+2H"	56.04448
"1512782"	625.24909	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+IsoProp+H"	61.06479
"415023"	595.160488	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+Na+K"	61.952376
"783311"	877.252638	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+Na+K"	61.952376
"1678915"	313.068338	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Na+K"	61.952376
"265077"	1192.384368	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+ACN+Na"	64.015768
"1239607"	628.200068	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+ACN+Na"	64.015768
"1726794"	628.223593	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+NH4+HCOOH"	64.039293
"1192391"	211.050651333333	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+3Na"	68.967654
"1664104"	633.178988	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Na+HCOOH"	68.994688
"169142"	1205.28764	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+2K-H"	76.91904
"609801"	1769.47194	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+2K-H"	76.91904
"1095041"	641.10334	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2K-H"	76.91904
"151856"	603.147458	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"2M+2K"	77.926316
"586313"	885.239608	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"3M+2K"	77.926316
"1082493"	321.055308	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2K"	77.926316
"1113149"	643.117892	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2K+H"	78.933592
"1347710"	643.205507	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+DMSO+H"	79.021207
"1007977"	647.244676	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2ACN+H"	83.060376
"1531451"	648.238308	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+IsoProp+Na+H"	84.054008
"994618"	324.125976	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+2ACN+2H"	84.067652
"1589121"	649.152928	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+K+HCOOH"	84.968628
"1420248"	679.184438	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+H+CF3COOH"	115.000138
"1157098"	344.639251	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+3ACN+2H"	125.094202
"1698994"	696.210985	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+NH4+CF3COOH"	132.026685
"1634650"	701.16638	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+Na+CF3COOH"	136.98208
"1574674"	717.14032	"C09828"	"Pinocembrin 7-rhamnosylglucoside"	"C27H32O13"	"564.1843"	"M+K+CF3COOH"	152.95602
"807229"	506.1941	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M"	0
"974927"	487.17571	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-H2O-H"	-19.01839
"64632"	336.455457333333	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M-3H"	-3.021828
"503824"	505.186824	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M-3H"	-3.021828
"880250"	167.724090666667	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-3H"	-3.021828
"928"	505.186824	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M-2H"	-2.014552
"441218"	758.283874	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M-2H"	-2.014552
"823402"	252.089774	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-2H"	-2.014552
"92512"	1011.380924	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M-H"	-1.007276
"532437"	1517.575024	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M-H"	-1.007276
"910251"	505.186824	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-H"	-1.007276
"62814"	1028.407471	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M-2H+NH4"	16.019271
"502767"	1534.601571	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M-2H+NH4"	16.019271
"879636"	522.213371	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-2H+NH4"	16.019271
"47092"	1033.362866	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M-2H+Na"	20.974666
"485189"	1539.556966	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M-2H+Na"	20.974666
"862747"	527.168766	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-2H+Na"	20.974666
"1630580"	527.168766	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Na-2H"	20.974666
"103827"	523.175163	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M-H+Cl"	33.962126
"542293"	776.272213	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M-H+Cl"	33.962126
"930343"	270.078113	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-H+Cl"	33.962126
"280572"	1047.357602	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+Cl"	34.969402
"674323"	1553.551702	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+Cl"	34.969402
"1286491"	541.163502	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Cl"	34.969402
"29412"	1049.336806	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M-2H+K"	36.948606
"471117"	1555.530906	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M-2H+K"	36.948606
"848312"	543.142706	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-2H+K"	36.948606
"1569164"	543.142706	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+K-2H"	36.948606
"958150"	551.192294	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-H+HCOOH"	44.998194
"373806"	1057.386401	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+HCOOH-H"	44.998201
"357690"	1071.402051	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+Hac-H"	59.013851
"1507252"	565.207951	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Hac-H"	59.013851
"969688"	573.174251	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-H+NaCOOH"	66.980151
"120783"	541.163502	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+2Cl"	69.938804
"558521"	794.260552	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+2Cl"	69.938804
"1025495"	288.066452	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2Cl"	69.938804
"1245803"	585.112985	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Br"	78.918885
"1306061"	587.168972	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Cl+HCOOH"	80.974872
"1320642"	609.150929	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Cl+NaCOOH"	102.956829
"911900"	619.179686	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M-H+CF3COOH"	112.985586
"1302638"	655.156364	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Cl+CF3COOH"	148.962264
"1382259"	471.181424	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H-2H2O"	-35.012676
"1393560"	489.1914	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H-H2O"	-17.0027
"292152"	1013.395476	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+H"	1.007276
"685667"	1519.589576	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+H"	1.007276
"1358737"	507.201376	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H"	1.007276
"138552"	507.201376	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+2H"	2.014552
"578112"	760.298426	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+2H"	2.014552
"1041077"	254.104326	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2H"	2.014552
"207885"	338.470009333333	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+3H"	3.021828
"649633"	507.201376	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+3H"	3.021828
"1177242"	169.738642666667	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+3H"	3.021828
"439056"	1030.422023	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+NH4"	18.033823
"800058"	1536.616123	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+NH4"	18.033823
"1693106"	524.227923	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+NH4"	18.033823
"343570"	515.7146495	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+H+NH4"	19.041099
"736356"	768.8116995	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+H+NH4"	19.041099
"1490175"	262.6175995	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H+NH4"	19.041099
"404847"	1035.377418	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+Na"	22.989218
"769696"	1541.571518	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+Na"	22.989218
"1617589"	529.183318	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Na"	22.989218
"328720"	518.192347	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+H+Na"	23.996494
"722359"	771.289397	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+H+Na"	23.996494
"1473503"	265.095297	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H+Na"	23.996494
"1068465"	177.065956666667	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2H+Na"	25.00377
"1272743"	539.227586	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+CH3OH+H"	33.033486
"392650"	1051.351358	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+K"	38.963158
"752375"	1557.545458	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+K"	38.963158
"1555465"	545.157258	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+K"	38.963158
"312326"	526.179317	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+H+K"	39.970434
"704748"	779.276367	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+H+K"	39.970434
"1452370"	273.082267	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H+K"	39.970434
"239878"	1054.422026	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+ACN+H"	42.033826
"1213677"	548.227926	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+ACN+H"	42.033826
"1196831"	274.617601	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+ACN+2H"	43.041102
"191889"	1057.35936	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+2Na-H"	44.97116
"636554"	1563.55346	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+2Na-H"	44.97116
"1134954"	551.16526	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2Na-H"	44.97116
"182256"	529.183318	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+2Na"	45.978436
"618535"	782.280368	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+2Na"	45.978436
"1118760"	276.086268	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2Na"	45.978436
"1401192"	184.393270666667	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H+2Na"	46.985712
"1437688"	553.206846	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H+HCOOH"	47.012746
"227383"	534.21634	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+3H2O+2H"	56.04448
"1513985"	567.25889	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+IsoProp+H"	61.06479
"417320"	537.170288	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+Na+K"	61.952376
"777221"	790.267338	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+Na+K"	61.952376
"1679026"	284.073238	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Na+K"	61.952376
"262266"	1076.403968	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+ACN+Na"	64.015768
"1240081"	570.209868	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+ACN+Na"	64.015768
"1726779"	570.233393	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+NH4+HCOOH"	64.039293
"1192138"	191.720584666667	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+3Na"	68.967654
"1663850"	575.188788	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Na+HCOOH"	68.994688
"169982"	1089.30724	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+2K-H"	76.91904
"610639"	1595.50134	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+2K-H"	76.91904
"1097703"	583.11314	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2K-H"	76.91904
"155246"	545.157258	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"2M+2K"	77.926316
"587516"	798.254308	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"3M+2K"	77.926316
"1082602"	292.060208	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2K"	77.926316
"1113259"	585.127692	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2K+H"	78.933592
"1349277"	585.215307	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+DMSO+H"	79.021207
"1007966"	589.254476	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2ACN+H"	83.060376
"1531561"	590.248108	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+IsoProp+Na+H"	84.054008
"994728"	295.130876	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+2ACN+2H"	84.067652
"1590324"	591.162728	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+K+HCOOH"	84.968628
"1420358"	621.194238	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+H+CF3COOH"	115.000138
"1157208"	315.644151	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+3ACN+2H"	125.094202
"1699104"	638.220785	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+NH4+CF3COOH"	132.026685
"1634760"	643.17618	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+Na+CF3COOH"	136.98208
"1576971"	659.15012	"C09829"	"Piperaduncin B"	"C29H30O8"	"506.1941"	"M+K+CF3COOH"	152.95602
"807339"	594.1949	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M"	0
"975766"	575.17651	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-H2O-H"	-19.01839
"64377"	395.122657333333	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M-3H"	-3.021828
"504299"	593.187624	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M-3H"	-3.021828
"882102"	197.057690666667	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-3H"	-3.021828
"1767"	593.187624	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M-2H"	-2.014552
"441329"	890.285074	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M-2H"	-2.014552
"822419"	296.090174	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-2H"	-2.014552
"93351"	1187.382524	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M-H"	-1.007276
"529627"	1781.577424	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M-H"	-1.007276
"910923"	593.187624	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-H"	-1.007276
"62425"	1204.409071	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M-2H+NH4"	16.019271
"502352"	1798.603971	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M-2H+NH4"	16.019271
"879299"	610.214171	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-2H+NH4"	16.019271
"46353"	1209.364466	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M-2H+Na"	20.974666
"484569"	1803.559366	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M-2H+Na"	20.974666
"860790"	615.169566	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-2H+Na"	20.974666
"1629597"	615.169566	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Na-2H"	20.974666
"103937"	611.175963	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M-H+Cl"	33.962126
"542403"	908.273413	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M-H+Cl"	33.962126
"930453"	314.078513	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-H+Cl"	33.962126
"268397"	1223.359202	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+Cl"	34.969402
"673219"	1817.554102	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+Cl"	34.969402
"1286962"	629.164302	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Cl"	34.969402
"30899"	1225.338406	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M-2H+K"	36.948606
"471188"	1819.533306	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M-2H+K"	36.948606
"847245"	631.143506	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-2H+K"	36.948606
"1568181"	631.143506	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+K-2H"	36.948606
"958461"	639.193094	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-H+HCOOH"	44.998194
"372823"	1233.388001	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+HCOOH-H"	44.998201
"357436"	1247.403651	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+Hac-H"	59.013851
"1506632"	653.208751	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Hac-H"	59.013851
"965789"	661.175051	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-H+NaCOOH"	66.980151
"120893"	629.164302	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+2Cl"	69.938804
"559724"	926.261752	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+2Cl"	69.938804
"1025241"	332.066852	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2Cl"	69.938804
"1242389"	673.113785	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Br"	78.918885
"1307264"	675.169772	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Cl+HCOOH"	80.974872
"1320752"	697.151729	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Cl+NaCOOH"	102.956829
"911810"	707.180486	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M-H+CF3COOH"	112.985586
"1303924"	743.157164	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Cl+CF3COOH"	148.962264
"1377261"	559.182224	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H-2H2O"	-35.012676
"1396216"	577.1922	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H-H2O"	-17.0027
"292262"	1189.397076	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+H"	1.007276
"685413"	1783.591976	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+H"	1.007276
"1361763"	595.202176	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H"	1.007276
"137570"	595.202176	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+2H"	2.014552
"577858"	892.299626	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+2H"	2.014552
"1042280"	298.104726	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2H"	2.014552
"207265"	397.137209333333	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+3H"	3.021828
"648650"	595.202176	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+3H"	3.021828
"1175535"	199.072242666667	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+3H"	3.021828
"436614"	1206.423623	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+NH4"	18.033823
"798345"	1800.618523	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+NH4"	18.033823
"1694675"	612.228723	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+NH4"	18.033823
"342952"	603.7154495	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+H+NH4"	19.041099
"736466"	900.8128995	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+H+NH4"	19.041099
"1491743"	306.6179995	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H+NH4"	19.041099
"406051"	1211.379018	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+Na"	22.989218
"767779"	1805.573918	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+Na"	22.989218
"1615512"	617.184118	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Na"	22.989218
"328102"	606.193147	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+H+Na"	23.996494
"721618"	903.290597	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+H+Na"	23.996494
"1472521"	309.095697	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H+Na"	23.996494
"1066861"	206.399556666667	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2H+Na"	25.00377
"1271335"	627.228386	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+CH3OH+H"	33.033486
"391489"	1227.352958	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+K"	38.963158
"752850"	1821.547858	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+K"	38.963158
"1553440"	633.158058	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+K"	38.963158
"310980"	614.180117	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+H+K"	39.970434
"700485"	911.277567	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+H+K"	39.970434
"1450291"	317.082667	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H+K"	39.970434
"236342"	1230.423626	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+ACN+H"	42.033826
"1211601"	636.228726	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+ACN+H"	42.033826
"1196940"	318.618001	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+ACN+2H"	43.041102
"192728"	1233.36096	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+2Na-H"	44.97116
"638850"	1827.55586	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+2Na-H"	44.97116
"1135796"	639.16606	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2Na-H"	44.97116
"182365"	617.184118	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+2Na"	45.978436
"620832"	914.281568	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+2Na"	45.978436
"1118871"	320.086668	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2Na"	45.978436
"1402395"	213.726870666667	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H+2Na"	46.985712
"1435243"	641.207646	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H+HCOOH"	47.012746
"226398"	622.21714	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+3H2O+2H"	56.04448
"1513731"	655.25969	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+IsoProp+H"	61.06479
"416337"	625.171088	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+Na+K"	61.952376
"778424"	922.268538	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+Na+K"	61.952376
"1678774"	328.073638	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Na+K"	61.952376
"263105"	1252.405568	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+ACN+Na"	64.015768
"1238730"	658.210668	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+ACN+Na"	64.015768
"1725065"	658.234193	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+NH4+HCOOH"	64.039293
"1192366"	221.054184666667	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+3Na"	68.967654
"1661407"	663.189588	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Na+HCOOH"	68.994688
"170456"	1265.30884	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+2K-H"	76.91904
"609655"	1859.50374	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+2K-H"	76.91904
"1094531"	671.11394	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2K-H"	76.91904
"155599"	633.158058	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"2M+2K"	77.926316
"584345"	930.255508	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"3M+2K"	77.926316
"1081982"	336.060608	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2K"	77.926316
"1108629"	673.128492	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2K+H"	78.933592
"1348294"	673.216107	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+DMSO+H"	79.021207
"1008076"	677.255276	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2ACN+H"	83.060376
"1531671"	678.248908	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+IsoProp+Na+H"	84.054008
"994838"	339.131276	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+2ACN+2H"	84.067652
"1590434"	679.163528	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+K+HCOOH"	84.968628
"1420468"	709.195038	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+H+CF3COOH"	115.000138
"1154038"	359.644551	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+3ACN+2H"	125.094202
"1704682"	726.221585	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+NH4+CF3COOH"	132.026685
"1637057"	731.17698	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+Na+CF3COOH"	136.98208
"1577081"	747.15092	"C09830"	"Poncirin;Isosakuranetin 7-O-neohesperidoside"	"C28H34O14"	"594.1949"	"M+K+CF3COOH"	152.95602
"807449"	370.1416	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M"	0
"974904"	351.12321	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-H2O-H"	-19.01839
"64852"	245.753790666667	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M-3H"	-3.021828
"503003"	369.134324	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M-3H"	-3.021828
"881240"	122.373257333333	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-3H"	-3.021828
"2241"	369.134324	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M-2H"	-2.014552
"441438"	554.205124	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M-2H"	-2.014552
"827996"	184.063524	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-2H"	-2.014552
"92365"	739.275924	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M-H"	-1.007276
"530830"	1109.417524	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M-H"	-1.007276
"908643"	369.134324	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-H"	-1.007276
"61680"	756.302471	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M-2H+NH4"	16.019271
"501848"	1126.444071	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M-2H+NH4"	16.019271
"878190"	386.160871	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-2H+NH4"	16.019271
"43905"	761.257866	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M-2H+Na"	20.974666
"484558"	1131.399466	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M-2H+Na"	20.974666
"861994"	391.116266	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-2H+Na"	20.974666
"1626427"	391.116266	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Na-2H"	20.974666
"102953"	387.122663	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M-H+Cl"	33.962126
"540326"	572.193463	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M-H+Cl"	33.962126
"930563"	202.051863	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-H+Cl"	33.962126
"267775"	775.252602	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+Cl"	34.969402
"669198"	1145.394202	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+Cl"	34.969402
"1281604"	405.111002	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Cl"	34.969402
"29265"	777.231806	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M-2H+K"	36.948606
"468095"	1147.373406	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M-2H+K"	36.948606
"844803"	407.090206	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-2H+K"	36.948606
"1566104"	407.090206	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+K-2H"	36.948606
"957520"	415.139794	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-H+HCOOH"	44.998194
"373662"	785.281401	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+HCOOH-H"	44.998201
"357546"	799.297051	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+Hac-H"	59.013851
"1507471"	429.155451	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Hac-H"	59.013851
"965899"	437.121751	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-H+NaCOOH"	66.980151
"121367"	405.111002	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+2Cl"	69.938804
"558741"	590.181802	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+2Cl"	69.938804
"1024257"	220.040202	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2Cl"	69.938804
"1243836"	449.060485	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Br"	78.918885
"1306645"	451.116472	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Cl+HCOOH"	80.974872
"1320375"	473.098429	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Cl+NaCOOH"	102.956829
"911553"	483.127186	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M-H+CF3COOH"	112.985586
"1302492"	519.103864	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Cl+CF3COOH"	148.962264
"1376278"	335.128924	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H-2H2O"	-35.012676
"1395597"	353.1389	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H-H2O"	-17.0027
"292372"	741.290476	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+H"	1.007276
"685887"	1111.432076	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+H"	1.007276
"1362237"	371.148876	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H"	1.007276
"138408"	371.148876	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+2H"	2.014552
"577967"	556.219676	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+2H"	2.014552
"1041296"	186.078076	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2H"	2.014552
"206279"	247.768342666667	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+3H"	3.021828
"652039"	371.148876	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+3H"	3.021828
"1176494"	124.387809333333	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+3H"	3.021828
"437088"	758.317023	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+NH4"	18.033823
"797362"	1128.458623	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+NH4"	18.033823
"1694786"	388.175423	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+NH4"	18.033823
"344155"	379.6621495	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+H+NH4"	19.041099
"737429"	564.7329495	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+H+NH4"	19.041099
"1491489"	194.5913495	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H+NH4"	19.041099
"407498"	763.272418	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+Na"	22.989218
"767768"	1133.414018	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+Na"	22.989218
"1616350"	393.130818	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Na"	22.989218
"327970"	382.139847	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+H+Na"	23.996494
"720878"	567.210647	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+H+Na"	23.996494
"1473360"	197.069047	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H+Na"	23.996494
"1065513"	131.715123333333	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2H+Na"	25.00377
"1270352"	403.175086	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+CH3OH+H"	33.033486
"390141"	779.246358	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+K"	38.963158
"752595"	1149.387958	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+K"	38.963158
"1553183"	409.104758	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+K"	38.963158
"311090"	390.126817	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+H+K"	39.970434
"700959"	575.197617	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+H+K"	39.970434
"1450401"	205.056017	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H+K"	39.970434
"237909"	782.317026	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+ACN+H"	42.033826
"1213897"	412.175426	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+ACN+H"	42.033826
"1195955"	206.591351	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+ACN+2H"	43.041102
"193203"	785.25436	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+2Na-H"	44.97116
"640054"	1155.39596	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+2Na-H"	44.97116
"1137000"	415.11276	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2Na-H"	44.97116
"185392"	393.130818	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+2Na"	45.978436
"620942"	578.201618	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+2Na"	45.978436
"1121532"	208.060018	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2Na"	45.978436
"1404691"	139.042437333333	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H+2Na"	46.985712
"1432800"	417.154346	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H+HCOOH"	47.012746
"222131"	398.16384	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+3H2O+2H"	56.04448
"1513841"	431.20639	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+IsoProp+H"	61.06479
"416445"	401.117788	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+Na+K"	61.952376
"774157"	586.188588	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+Na+K"	61.952376
"1671586"	216.046988	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Na+K"	61.952376
"258106"	804.298968	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+ACN+Na"	64.015768
"1239206"	434.157368	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+ACN+Na"	64.015768
"1723353"	434.180893	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+NH4+HCOOH"	64.039293
"1190167"	146.369751333333	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+3Na"	68.967654
"1662611"	439.136288	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Na+HCOOH"	68.994688
"171296"	817.20224	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+2K-H"	76.91904
"603566"	1187.34384	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+2K-H"	76.91904
"1089171"	447.06064	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2K-H"	76.91904
"147082"	409.104758	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"2M+2K"	77.926316
"584455"	594.175558	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"3M+2K"	77.926316
"1075531"	224.033958	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2K"	77.926316
"1106552"	449.075192	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2K+H"	78.933592
"1336860"	449.162807	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+DMSO+H"	79.021207
"1007214"	453.201976	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2ACN+H"	83.060376
"1526312"	454.195608	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+IsoProp+Na+H"	84.054008
"996041"	227.104626	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+2ACN+2H"	84.067652
"1591637"	455.110228	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+K+HCOOH"	84.968628
"1416567"	485.141738	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+H+CF3COOH"	115.000138
"1150867"	247.617901	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+3ACN+2H"	125.094202
"1702604"	502.168285	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+NH4+CF3COOH"	132.026685
"1637167"	507.12368	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+Na+CF3COOH"	136.98208
"1575004"	523.09762	"C09831"	"5-Prenylhomoeriodictyol;Sigmoidin B 3-methyl ether"	"C21H22O6"	"370.1416"	"M+K+CF3COOH"	152.95602
"807559"	340.1311	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M"	0
"977080"	321.11271	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"64962"	225.746790666667	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"504521"	339.123824	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"881229"	112.369757333333	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"3080"	339.123824	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"442276"	509.189374	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"828106"	169.058274	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"91382"	679.254924	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"532644"	1019.386024	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"908754"	339.123824	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"61545"	696.281471	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"502082"	1036.412571	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"876115"	356.150371	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"44015"	701.236866	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"485396"	1041.367966	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"860283"	361.105766	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1625444"	361.105766	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"103063"	357.112163	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"542623"	527.177713	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"931767"	187.046613	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"268371"	715.231602	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"668215"	1055.362702	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1281714"	375.100502	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"27552"	717.210806	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"462737"	1057.341906	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"841633"	377.079706	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1566214"	377.079706	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"957873"	385.129294	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"373772"	725.260401	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"358871"	739.276051	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1507703"	399.144951	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"966009"	407.111251	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"121477"	375.100502	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"563227"	545.166052	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1032022"	205.034952	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1244310"	419.049985	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1306393"	421.105972	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1321337"	443.087929	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"912030"	453.116686	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1303944"	489.093364	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1377481"	305.118424	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1398223"	323.1284	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"295398"	681.269476	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"685997"	1021.400576	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1361619"	341.138376	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"138882"	341.138376	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"577713"	511.203926	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1042500"	171.072826	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"206388"	227.761342666667	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"651056"	341.138376	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1177571"	114.384309333333	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"436469"	698.296023	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"799293"	1038.427123	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1696354"	358.164923	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"344265"	349.6516495	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"738024"	519.7171995	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1491599"	179.5860995	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"407364"	703.251418	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"768242"	1043.382518	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1615368"	363.120318	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"328691"	352.129347	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"721717"	522.194897	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1474926"	182.063797	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1067933"	121.711623333333	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1272164"	373.164586	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"391345"	719.225358	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"753434"	1059.356458	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1553657"	379.094258	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"312292"	360.116317	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"698881"	530.181867	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1451604"	190.050767	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"240205"	722.296026	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1212913"	382.164926	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1198983"	191.586101	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"196229"	725.23336	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"640163"	1065.36446	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1138204"	385.10226	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"188053"	363.120318	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"621051"	533.185868	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1121278"	193.054768	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1405894"	129.038937333333	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1435823"	387.143846	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"222604"	368.15334	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1510305"	401.19589	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"416555"	371.107288	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"774267"	541.172838	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1669872"	201.041738	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"257123"	744.277968	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1237126"	404.146868	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1724191"	404.170393	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1190641"	136.366251333333	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1662721"	409.125788	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"170556"	757.18124	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"604770"	1097.31234	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1089281"	417.05014	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"146099"	379.094258	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"583472"	549.159808	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1075641"	209.028708	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1106662"	419.064692	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1336850"	419.152307	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1007203"	423.191476	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1528609"	424.185108	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"996151"	212.099376	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1590654"	425.099728	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1416677"	455.131238	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1157538"	232.612651	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1701622"	472.157785	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1637277"	477.11318	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1574021"	493.08712	"C09832"	"6-Prenylnaringenin;574-Trihydroxy-6-prenylflavanone"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"807669"	286.0841	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M"	0
"975366"	267.06571	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"67259"	189.715457333333	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"504995"	285.076824	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"881703"	94.3540906666667	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"2825"	285.076824	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"443479"	428.118874	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"824936"	142.034774	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"91493"	571.160924	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"529958"	857.245024	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"910442"	285.076824	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"62387"	588.187471	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"502790"	874.271571	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"878291"	302.103371	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"41940"	593.142866	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"485750"	879.226966	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"862214"	307.058766	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1626645"	307.058766	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"106453"	303.065163	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"542733"	446.107213	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"931511"	160.023113	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"270065"	607.137602	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"668324"	893.221702	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1276355"	321.053502	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"25474"	609.116806	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"463941"	895.200906	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"839555"	323.032706	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1566324"	323.032706	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"957858"	331.082294	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"374610"	617.166401	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"357401"	631.182051	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1505140"	345.097951	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"967212"	353.064251	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"121587"	321.053502	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"565038"	464.095552	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1032132"	178.011452	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1246243"	365.002985	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1307596"	367.058972	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1322905"	389.040929	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"913234"	399.069686	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1303445"	435.046364	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1378685"	251.071424	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1398009"	269.0814	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"289311"	573.175476	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"688295"	859.259576	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1363551"	287.091376	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"139720"	287.091376	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"575636"	430.133426	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1038356"	144.049326	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"205769"	191.730009333333	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"650073"	287.091376	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1172577"	96.3686426666667	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"434756"	590.202023	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"799405"	876.286123	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1696831"	304.117923	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"344375"	295.6046495	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"738134"	438.6466995	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1491587"	152.5625995	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"407596"	595.157418	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"769487"	881.241518	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1616571"	309.073318	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"329855"	298.082347	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"722737"	441.124397	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1476008"	155.040297	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1067924"	103.695956666667	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1271789"	319.117586	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"392387"	611.131358	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"754207"	897.215458	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1555405"	325.047258	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"306567"	306.069317	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"698988"	449.111367	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1450621"	163.027267	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"240316"	614.202026	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1219583"	328.117926	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1203467"	164.562601	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"198526"	617.13936	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"644183"	903.22346	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1141594"	331.05526	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"188165"	309.073318	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"625900"	452.115368	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1123941"	166.031268	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1406006"	111.023270666667	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1435206"	333.096846	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"223809"	314.10634	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1511872"	347.14889	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"418852"	317.060288	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"776200"	460.102338	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1671805"	174.018238	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"259420"	636.183968	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1237600"	350.099868	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1726125"	350.123393	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1191844"	118.350584666667	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1663926"	355.078788	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"171881"	649.08724	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"603784"	935.17134	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1089391"	363.00314	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"148396"	325.047258	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"584673"	468.089308	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1082312"	182.005208	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1108959"	365.017692	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1344250"	365.105307	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1008771"	369.144476	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1527626"	370.138108	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"996261"	185.075876	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1591857"	371.052728	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1416786"	401.084238	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1157648"	205.589151	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1705012"	418.110785	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1637387"	423.06618	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1574131"	439.04012	"C09833"	"Sakuranetin;Naringenin 7-methyl ether;(2S)-Sakuranetin"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"807779"	708.2207	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M"	0
"974870"	689.20231	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-H2O-H"	-19.01839
"67369"	471.139857333333	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M-3H"	-3.021828
"504741"	707.213424	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M-3H"	-3.021828
"880271"	235.066290666667	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-3H"	-3.021828
"1477"	707.213424	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M-2H"	-2.014552
"443225"	1061.323774	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M-2H"	-2.014552
"819568"	353.103074	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-2H"	-2.014552
"90506"	1415.434124	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M-H"	-1.007276
"532254"	2123.654824	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M-H"	-1.007276
"910995"	707.213424	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-H"	-1.007276
"62454"	1432.460671	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M-2H+NH4"	16.019271
"502776"	2140.681371	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M-2H+NH4"	16.019271
"879298"	724.239971	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-2H+NH4"	16.019271
"46301"	1437.416066	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M-2H+Na"	20.974666
"484887"	2145.636766	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M-2H+Na"	20.974666
"861959"	729.195366	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-2H+Na"	20.974666
"1626757"	729.195366	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Na-2H"	20.974666
"103284"	725.201763	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M-H+Cl"	33.962126
"545030"	1079.312113	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M-H+Cl"	33.962126
"937453"	371.091413	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-H+Cl"	33.962126
"271269"	1451.410802	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+Cl"	34.969402
"670621"	2159.631502	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+Cl"	34.969402
"1281932"	743.190102	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Cl"	34.969402
"31344"	1453.390006	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M-2H+K"	36.948606
"467331"	2161.610706	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M-2H+K"	36.948606
"841852"	745.169306	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-2H+K"	36.948606
"1569716"	745.169306	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+K-2H"	36.948606
"958464"	753.218894	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-H+HCOOH"	44.998194
"373992"	1461.439601	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+HCOOH-H"	44.998201
"357511"	1475.455251	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+Hac-H"	59.013851
"1506343"	767.234551	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Hac-H"	59.013851
"968052"	775.200851	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-H+NaCOOH"	66.980151
"121333"	743.190102	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+2Cl"	69.938804
"565269"	1097.300452	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+2Cl"	69.938804
"1028962"	389.079752	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2Cl"	69.938804
"1242708"	787.139585	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Br"	78.918885
"1306613"	789.195572	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Cl+HCOOH"	80.974872
"1320951"	811.177529	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Cl+NaCOOH"	102.956829
"912131"	821.206286	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M-H+CF3COOH"	112.985586
"1301730"	857.182964	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Cl+CF3COOH"	148.962264
"1378067"	673.208024	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H-2H2O"	-35.012676
"1394834"	691.218	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H-H2O"	-17.0027
"292701"	1417.448676	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+H"	1.007276
"689500"	2125.669376	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+H"	1.007276
"1366906"	709.227976	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H"	1.007276
"140561"	709.227976	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+2H"	2.014552
"577933"	1063.338326	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+2H"	2.014552
"1041261"	355.117626	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2H"	2.014552
"206488"	473.154409333333	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+3H"	3.021828
"652370"	709.227976	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+3H"	3.021828
"1174146"	237.080842666667	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+3H"	3.021828
"432678"	1434.475223	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+NH4"	18.033823
"800245"	2142.695923	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+NH4"	18.033823
"1696928"	726.254523	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+NH4"	18.033823
"344120"	717.7412495	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+H+NH4"	19.041099
"737636"	1071.8515995	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+H+NH4"	19.041099
"1491089"	363.6308995	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H+NH4"	19.041099
"405761"	1439.430618	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+Na"	22.989218
"769072"	2147.651318	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+Na"	22.989218
"1617291"	731.209918	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Na"	22.989218
"329887"	720.218947	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+H+Na"	23.996494
"722551"	1074.329297	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+H+Na"	23.996494
"1476936"	366.108597	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H+Na"	23.996494
"1068398"	244.408156666667	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2H+Na"	25.00377
"1272145"	741.254186	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+CH3OH+H"	33.033486
"392662"	1455.404558	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+K"	38.963158
"754185"	2163.625258	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+K"	38.963158
"1555482"	747.183858	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+K"	38.963158
"312510"	728.205917	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+H+K"	39.970434
"700192"	1082.316267	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+H+K"	39.970434
"1452918"	374.095567	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H+K"	39.970434
"240426"	1458.475226	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+ACN+H"	42.033826
"1217508"	750.254526	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+ACN+H"	42.033826
"1203578"	375.630901	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+ACN+2H"	43.041102
"197543"	1461.41256	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+2Na-H"	44.97116
"644165"	2169.63326	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+2Na-H"	44.97116
"1141704"	753.19186	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2Na-H"	44.97116
"187788"	731.209918	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+2Na"	45.978436
"624188"	1085.320268	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+2Na"	45.978436
"1123686"	377.099568	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2Na"	45.978436
"1406115"	251.735470666667	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H+2Na"	46.985712
"1433129"	755.233446	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H+HCOOH"	47.012746
"222097"	736.24294	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+3H2O+2H"	56.04448
"1512346"	769.28549	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+IsoProp+H"	61.06479
"418962"	739.196888	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+Na+K"	61.952376
"774489"	1093.307238	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+Na+K"	61.952376
"1671914"	385.086538	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Na+K"	61.952376
"259528"	1480.457168	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+ACN+Na"	64.015768
"1227861"	772.236468	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+ACN+Na"	64.015768
"1723314"	772.259993	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+NH4+HCOOH"	64.039293
"1194040"	259.062784666667	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+3Na"	68.967654
"1663668"	777.215388	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Na+HCOOH"	68.994688
"170895"	1493.36044	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+2K-H"	76.91904
"611550"	2201.58114	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+2K-H"	76.91904
"1094967"	785.13974	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2K-H"	76.91904
"150693"	747.183858	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"2M+2K"	77.926316
"585878"	1101.294208	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"3M+2K"	77.926316
"1080235"	393.073508	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2K"	77.926316
"1110163"	787.154292	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2K+H"	78.933592
"1346547"	787.241907	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+DMSO+H"	79.021207
"1010703"	791.281076	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2ACN+H"	83.060376
"1532109"	792.274708	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+IsoProp+Na+H"	84.054008
"994183"	396.144176	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+2ACN+2H"	84.067652
"1590874"	793.189328	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+K+HCOOH"	84.968628
"1418720"	823.220838	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+H+CF3COOH"	115.000138
"1154477"	416.657451	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+3ACN+2H"	125.094202
"1705122"	840.247385	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+NH4+CF3COOH"	132.026685
"1637497"	845.20278	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+Na+CF3COOH"	136.98208
"1576427"	861.17672	"C09834"	"Sanggenon C"	"C40H36O12"	"708.2207"	"M+K+CF3COOH"	152.95602
"807889"	708.2207	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M"	0
"976317"	689.20231	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-H2O-H"	-19.01839
"67480"	471.139857333333	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M-3H"	-3.021828
"505945"	707.213424	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M-3H"	-3.021828
"880584"	235.066290666667	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-3H"	-3.021828
"3410"	707.213424	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M-2H"	-2.014552
"444065"	1061.323774	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M-2H"	-2.014552
"821865"	353.103074	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-2H"	-2.014552
"80766"	1415.434124	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M-H"	-1.007276
"523607"	2123.654824	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M-H"	-1.007276
"908956"	707.213424	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-H"	-1.007276
"60783"	1432.460671	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M-2H+NH4"	16.019271
"502617"	2140.681371	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M-2H+NH4"	16.019271
"878519"	724.239971	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-2H+NH4"	16.019271
"46496"	1437.416066	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M-2H+Na"	20.974666
"485729"	2145.636766	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M-2H+Na"	20.974666
"863409"	729.195366	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-2H+Na"	20.974666
"1629053"	729.195366	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Na-2H"	20.974666
"103394"	725.201763	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M-H+Cl"	33.962126
"540768"	1079.312113	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M-H+Cl"	33.962126
"935377"	371.091413	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-H+Cl"	33.962126
"267735"	1451.410802	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+Cl"	34.969402
"667451"	2159.631502	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+Cl"	34.969402
"1285324"	743.190102	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Cl"	34.969402
"30798"	1453.390006	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M-2H+K"	36.948606
"467441"	2161.610706	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M-2H+K"	36.948606
"846702"	745.169306	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-2H+K"	36.948606
"1570557"	745.169306	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+K-2H"	36.948606
"958049"	753.218894	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-H+HCOOH"	44.998194
"376657"	1461.439601	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+HCOOH-H"	44.998201
"357621"	1475.455251	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+Hac-H"	59.013851
"1506455"	767.234551	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Hac-H"	59.013851
"968526"	775.200851	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-H+NaCOOH"	66.980151
"121443"	743.190102	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+2Cl"	69.938804
"564407"	1097.300452	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+2Cl"	69.938804
"1029073"	389.079752	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2Cl"	69.938804
"1244276"	787.139585	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Br"	78.918885
"1305629"	789.195572	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Cl+HCOOH"	80.974872
"1322033"	811.177529	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Cl+NaCOOH"	102.956829
"917468"	821.206286	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M-H+CF3COOH"	112.985586
"1302204"	857.182964	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Cl+CF3COOH"	148.962264
"1380730"	673.208024	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H-2H2O"	-35.012676
"1398367"	691.218	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H-H2O"	-17.0027
"298509"	1417.448676	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+H"	1.007276
"690338"	2125.669376	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+H"	1.007276
"1366689"	709.227976	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H"	1.007276
"136296"	709.227976	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+2H"	2.014552
"574032"	1063.338326	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+2H"	2.014552
"1041008"	355.117626	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2H"	2.014552
"210732"	473.154409333333	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+3H"	3.021828
"655398"	709.227976	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+3H"	3.021828
"1174256"	237.080842666667	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+3H"	3.021828
"436070"	1434.475223	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+NH4"	18.033823
"800356"	2142.695923	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+NH4"	18.033823
"1695226"	726.254523	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+NH4"	18.033823
"344232"	717.7412495	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+H+NH4"	19.041099
"737263"	1071.8515995	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+H+NH4"	19.041099
"1490106"	363.6308995	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H+NH4"	19.041099
"405506"	1439.430618	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+Na"	22.989218
"768572"	2147.651318	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+Na"	22.989218
"1616670"	731.209918	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Na"	22.989218
"329789"	720.218947	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+H+Na"	23.996494
"722745"	1074.329297	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+H+Na"	23.996494
"1476889"	366.108597	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H+Na"	23.996494
"1068269"	244.408156666667	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2H+Na"	25.00377
"1272543"	741.254186	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+CH3OH+H"	33.033486
"392639"	1455.404558	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+K"	38.963158
"753925"	2163.625258	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+K"	38.963158
"1555249"	747.183858	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+K"	38.963158
"310798"	728.205917	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+H+K"	39.970434
"703218"	1082.316267	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+H+K"	39.970434
"1453030"	374.095567	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H+K"	39.970434
"242723"	1458.475226	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+ACN+H"	42.033826
"1220535"	750.254526	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+ACN+H"	42.033826
"1204782"	375.630901	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+ACN+2H"	43.041102
"197653"	1461.41256	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+2Na-H"	44.97116
"637942"	2169.63326	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+2Na-H"	44.97116
"1144730"	753.19186	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2Na-H"	44.97116
"185102"	731.209918	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+2Na"	45.978436
"622476"	1085.320268	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+2Na"	45.978436
"1123795"	377.099568	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2Na"	45.978436
"1405133"	251.735470666667	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H+2Na"	46.985712
"1432874"	755.233446	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H+HCOOH"	47.012746
"223667"	736.24294	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+3H2O+2H"	56.04448
"1513919"	769.28549	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+IsoProp+H"	61.06479
"420531"	739.196888	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+Na+K"	61.952376
"777883"	1093.307238	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+Na+K"	61.952376
"1675669"	385.086538	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Na+K"	61.952376
"256359"	1480.457168	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+ACN+Na"	64.015768
"1235999"	772.236468	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+ACN+Na"	64.015768
"1723063"	772.259993	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+NH4+HCOOH"	64.039293
"1194133"	259.062784666667	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+3Na"	68.967654
"1664144"	777.215388	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Na+HCOOH"	68.994688
"171978"	1493.36044	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+2K-H"	76.91904
"607288"	2201.58114	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+2K-H"	76.91904
"1091797"	785.13974	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2K-H"	76.91904
"151897"	747.183858	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"2M+2K"	77.926316
"592552"	1101.294208	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"3M+2K"	77.926316
"1074149"	393.073508	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2K"	77.926316
"1109181"	787.154292	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2K+H"	78.933592
"1341190"	787.241907	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+DMSO+H"	79.021207
"1007898"	791.281076	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2ACN+H"	83.060376
"1527846"	792.274708	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+IsoProp+Na+H"	84.054008
"994293"	396.144176	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+2ACN+2H"	84.067652
"1590984"	793.189328	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+K+HCOOH"	84.968628
"1417737"	823.220838	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+H+CF3COOH"	115.000138
"1155680"	416.657451	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+3ACN+2H"	125.094202
"1705232"	840.247385	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+NH4+CF3COOH"	132.026685
"1639789"	845.20278	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+Na+CF3COOH"	136.98208
"1574350"	861.17672	"C09835"	"Sanggenon D"	"C40H36O12"	"708.2207"	"M+K+CF3COOH"	152.95602
"807999"	168.115	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M"	0
"977520"	149.09661	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"68683"	111.069390666667	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"506055"	167.107724	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"880573"	55.0310573333333	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"3521"	167.107724	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"445267"	251.165224	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"821976"	83.050224	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"81240"	335.222724	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"521530"	503.337724	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"910403"	167.107724	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"61014"	352.249271	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"502159"	520.364271	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"878744"	184.134271	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"46525"	357.204666	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"485477"	525.319666	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"864113"	189.089666	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1629163"	189.089666	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"103504"	185.096063	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"544157"	269.153563	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"934393"	101.038563	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"268938"	371.199402	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"670841"	539.314402	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1286527"	203.084402	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"25802"	373.178606	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"467550"	541.293606	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"844257"	205.063606	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1556121"	205.063606	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"952348"	213.113194	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"375671"	381.228201	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"359554"	395.243851	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1506565"	227.128851	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"968636"	235.095151	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"121917"	203.084402	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"563666"	287.141902	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1029183"	119.026902	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1245479"	247.033885	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1306953"	249.089872	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1323236"	271.071829	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"914295"	281.100586	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1292467"	317.077264	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1380111"	133.102324	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1396883"	151.1123	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"297296"	337.237276	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"683156"	505.352276	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1362784"	169.122276	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H"	1.007276
"134582"	169.122276	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"577058"	253.179776	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1040754"	85.064776	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"211935"	113.083942666667	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"655872"	169.122276	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1174366"	57.0456093333333	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"435816"	354.263823	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"800220"	522.378823	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1696063"	186.148823	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"345072"	177.6355495	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"737941"	261.6930495	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1490216"	93.5780495	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"405616"	359.219218	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"766616"	527.334218	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1615808"	191.104218	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"328884"	180.113247	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"722696"	264.170747	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1476468"	96.055747	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1067768"	64.3729233333333	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1272363"	201.148486	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"392517"	375.193158	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"753752"	543.308158	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1555484"	207.078158	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+K"	38.963158
"310908"	188.100217	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"702235"	272.157717	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1454233"	104.042717	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"245019"	378.263826	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1220645"	210.148826	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1204891"	105.578051	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"199950"	381.20116	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"638416"	549.31616	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1145816"	213.08616	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"184849"	191.104218	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624773"	275.161718	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1126091"	107.046718	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1406337"	71.7002373333333	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1435173"	215.127746	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"223777"	196.13724	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1515122"	229.17979	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"419913"	199.091188	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"777993"	283.148688	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1675779"	115.033688	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"257562"	400.245768	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1239024"	232.130768	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1724267"	232.154293	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1194037"	79.0275513333333	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1663891"	237.109688	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"171846"	413.14904	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"608491"	581.26404	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1093000"	245.03404	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"152007"	207.078158	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"595821"	291.135658	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1074259"	123.020658	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1112571"	247.048592	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1342394"	247.136207	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1009102"	251.175376	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1531237"	252.169008	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"994403"	126.091326	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1592188"	253.083628	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1416754"	283.115138	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1154697"	146.604601	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1702061"	300.141685	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1636619"	305.09708	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1574460"	321.07102	"C09836"	"Ascaridole"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"808109"	196.1463	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M"	0
"976537"	177.12791	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"74260"	129.756924	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"508351"	195.139024	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"881778"	64.374824	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"2901"	195.139024	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"445378"	293.212174	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"821356"	97.065874	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"82078"	391.285324	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"521637"	587.431624	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"910513"	195.139024	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"61488"	408.311871	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"501294"	604.458171	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"878125"	212.165571	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"44930"	413.267266	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"485100"	609.413566	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"861926"	217.120966	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1627086"	217.120966	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"103614"	213.127363	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"538800"	311.200513	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"934503"	115.054213	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"270871"	427.262002	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"670951"	623.408302	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1282264"	231.115702	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"24819"	429.241206	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"465473"	625.387506	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"844367"	233.094906	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1556068"	233.094906	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"952458"	241.144494	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"373959"	437.290801	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"356745"	451.306451	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1506671"	255.160151	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"972027"	263.126451	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"116558"	231.115702	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"557212"	329.188852	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1022731"	133.042552	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1243403"	275.065185	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1306942"	277.121172	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1324439"	299.103129	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"913311"	309.131886	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1292941"	345.108564	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1379493"	161.133624	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1397844"	179.1436	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"295584"	393.299876	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"685817"	589.446176	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1361072"	197.153576	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"136510"	197.153576	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"570968"	295.226726	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1040864"	99.080426	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"210952"	131.771476	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"656711"	197.153576	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1174476"	66.389376	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"433010"	410.326423	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"798750"	606.472723	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1692528"	214.180123	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"343723"	205.6668495	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"735418"	303.7399995	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1487047"	107.5936995	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"403540"	415.281818	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"766726"	611.428118	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1614825"	219.135518	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"325955"	208.144547	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"719470"	306.217697	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1476093"	110.071397	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1067151"	73.71669	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1271745"	229.179786	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"391894"	431.255758	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"753822"	627.402058	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1554091"	235.109458	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"312841"	216.131517	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"700158"	314.204667	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1455071"	118.058367	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"246222"	434.326426	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1221848"	238.180126	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1203908"	119.593701	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"200061"	437.26376	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"638526"	633.41006	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1143856"	241.11746	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"183135"	219.135518	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"623789"	317.208668	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1122921"	121.062368	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1405353"	81.044004	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1433461"	243.159046	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"224980"	224.16854	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1515231"	257.21109	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"413824"	227.122488	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"780286"	325.195638	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1668959"	129.049338	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"259858"	456.308368	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1238038"	260.162068	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1725470"	260.185593	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1193014"	88.371318	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1665381"	265.140988	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"172529"	469.21164	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"608601"	665.35794	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1094204"	273.06534	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"152117"	235.109458	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"595931"	333.182608	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1075098"	137.036308	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1112681"	275.079892	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1342504"	275.167507	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1009941"	279.206676	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1532440"	280.200308	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"994513"	140.106976	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1594485"	281.114928	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1416864"	311.146438	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1154807"	160.620251	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1702171"	328.172985	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1636729"	333.12838	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1575664"	349.10232	"C09837"	"(1S2R4S)-(-)-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"808219"	136.1252	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M"	0
"975311"	117.10681	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"68903"	89.7428573333333	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"506275"	135.117924	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"880073"	44.3677906666667	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"944"	135.117924	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"446581"	203.180524	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"822196"	67.055324	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"83281"	271.243124	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"522841"	407.368324	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"909405"	135.117924	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"57219"	288.269671	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"501033"	424.394871	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"879288"	152.144471	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"44672"	293.225066	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"480952"	429.350266	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"862034"	157.099866	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1629382"	157.099866	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"101537"	153.106263	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"538910"	221.168863	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"935706"	85.043663	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"269888"	307.219802	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"671061"	443.345002	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1283467"	171.094602	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"26022"	309.199006	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"466676"	445.324206	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"844477"	173.073806	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1556421"	173.073806	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"952568"	181.123394	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"374433"	317.248601	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"355762"	331.264251	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1505688"	195.139051	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"973473"	203.105351	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"116668"	171.094602	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"557322"	239.157202	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1022841"	103.032002	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1244606"	215.044085	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1307052"	217.100072	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1324549"	239.082029	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"913421"	249.110786	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1291594"	285.087464	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1371578"	101.112524	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1397956"	119.1225	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"297759"	273.257676	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"685563"	409.382876	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1360454"	137.132476	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H"	1.007276
"136621"	137.132476	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"572172"	205.195076	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1040974"	69.069876	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"206689"	91.7574093333333	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"649531"	137.132476	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1174586"	46.3823426666667	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"436036"	290.284223	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"798494"	426.409423	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1691543"	154.159023	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"338728"	145.6457495	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"735528"	213.7083495	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1488250"	77.5831495	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"402557"	295.239618	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"766837"	431.364818	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1613842"	159.114418	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"326065"	148.123447	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"718487"	216.186047	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1476727"	80.060847	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1065551"	53.7096566666667	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1271605"	169.158686	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"392491"	311.213558	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"753360"	447.338758	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1554683"	175.088358	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+K"	38.963158
"312951"	156.110417	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"698445"	224.173017	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1454451"	88.047817	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"244145"	314.284226	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1219041"	178.159026	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1202924"	89.583151	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"199075"	317.22156	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"638636"	453.34676	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1144329"	181.09636	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"186161"	159.114418	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"626451"	227.177018	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1123030"	91.051818	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1403276"	61.0369706666667	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1435393"	183.137946	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"222904"	164.14744	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1515341"	197.18999	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"415027"	167.101388	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"777116"	235.163988	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1669069"	99.038788	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"257781"	336.266168	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1233771"	200.140968	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1725214"	200.164493	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1190572"	68.3642846666667	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1664720"	205.119888	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"172556"	349.16944	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"607618"	485.29464	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1093221"	213.04424	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"152227"	175.088358	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"595069"	243.150958	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1075208"	107.025758	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1109511"	215.058792	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1344801"	215.146407	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1011145"	219.185576	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1532550"	220.179208	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"994623"	110.096426	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1589126"	221.093828	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1416974"	251.125338	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1153823"	130.609701	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1698999"	268.151885	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1636839"	273.10728	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1575773"	289.08122	"C09839"	"Car-3-ene;(-)-3-Carene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"808330"	150.1045	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M"	0
"985142"	131.08611	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"71200"	99.0623906666667	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"505292"	149.097224	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"880904"	49.0275573333333	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"2757"	149.097224	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"447784"	224.149474	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"822307"	74.044974	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"84485"	299.201724	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"527325"	449.306224	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"907328"	149.097224	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"54048"	316.228271	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"500171"	466.332771	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"879068"	166.123771	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"41501"	321.183666	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"479968"	471.288166	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"859957"	171.079166	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1629492"	171.079166	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"103833"	167.085563	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"541207"	242.137813	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"935816"	92.033313	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"269998"	335.178402	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"667890"	485.282902	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1282482"	185.073902	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"25039"	337.157606	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"464600"	487.262106	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"842401"	187.053106	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1556411"	187.053106	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"952678"	195.102694	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"373085"	345.207201	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"355872"	359.222851	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1506891"	209.118351	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"967872"	217.084651	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"116778"	185.073902	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"557432"	260.126152	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1025138"	110.021652	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1242529"	229.023385	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1305340"	231.079372	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1319960"	253.061329	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"914262"	263.090086	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1292797"	299.066764	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1371688"	115.091824	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1397456"	133.1018	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"295804"	301.216276	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"683121"	451.320776	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1360929"	151.111776	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H"	1.007276
"136369"	151.111776	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"577386"	226.164026	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1041084"	76.059526	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"212266"	101.076942666667	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"652921"	151.111776	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1175425"	51.0421093333333	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"437604"	318.242823	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"798604"	468.347323	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1692746"	168.138323	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"341025"	159.6250495	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"735638"	234.6772995	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1487267"	84.5727995	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"403760"	323.198218	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"764760"	473.302718	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1613952"	173.093718	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"326175"	162.102747	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"718597"	237.154997	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1476671"	87.050497	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1067482"	58.3694233333333	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1272079"	183.137986	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"392721"	339.172158	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"753470"	489.276658	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1551512"	189.067658	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+K"	38.963158
"307228"	170.089717	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"698556"	245.141967	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1451282"	95.037467	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"244258"	342.242826	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1214048"	192.138326	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1201941"	96.572801	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"194812"	345.18016	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"637653"	495.28466	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1140066"	195.07566	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"180075"	173.093718	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"618544"	248.145968	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1122047"	98.041468	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1403749"	65.6967373333333	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1432223"	197.117246	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"225202"	178.12674	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1512171"	211.16929	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"412952"	181.080688	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"775040"	256.132938	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1671370"	106.028438	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"258985"	364.224768	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1233518"	214.120268	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1724965"	214.143793	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1192505"	73.0240513333333	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1664830"	219.099188	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"172747"	377.12804	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"607728"	527.23254	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1094424"	227.02354	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"150150"	189.067658	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"592991"	264.119908	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1079691"	114.015408	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1109621"	229.038092	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1343818"	229.125707	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1014535"	233.164876	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1531566"	234.158508	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"994733"	117.086076	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1589236"	235.073128	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1418177"	265.104638	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1155026"	137.599351	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1697408"	282.131185	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1636949"	287.08658	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1578072"	303.06052	"C09840"	"Carvacrol"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"808440"	166.0994	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M"	0
"985252"	147.08101	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"68030"	109.725657333333	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"505766"	165.092124	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"880486"	54.3591906666667	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"2868"	165.092124	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"447894"	248.141824	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"821321"	82.042424	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"86783"	331.191524	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"526343"	497.290924	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"905251"	165.092124	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"54158"	348.218071	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"497001"	514.317471	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"876991"	182.118671	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"38330"	353.173466	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"477891"	519.272866	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"851681"	187.074066	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1627415"	187.074066	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"100663"	183.080463	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"541317"	266.130163	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"933740"	100.030763	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"270108"	367.168202	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"663626"	533.267602	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1284779"	201.068802	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"26242"	369.147406	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"465803"	535.246806	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"845792"	203.048006	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1557250"	203.048006	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"952788"	211.097594	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"372101"	377.197001	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"358900"	391.212651	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1505908"	225.113251	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"971262"	233.079551	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"117981"	201.068802	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"553167"	284.118502	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1025247"	118.019102	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1242637"	245.018285	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1306178"	247.074272	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1319931"	269.056229	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"914737"	279.084986	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1296918"	315.061664	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1371798"	131.086724	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1396593"	149.0967	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"295914"	333.206076	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"683595"	499.305476	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1361768"	167.106676	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"136480"	167.106676	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"576403"	250.156376	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1041194"	84.056976	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"212376"	111.740209333333	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"653031"	167.106676	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1174443"	56.3737426666667	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"436257"	350.232623	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"797621"	516.332023	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1692856"	184.133223	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"341135"	175.6199495	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"733561"	258.6696495	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1486284"	92.5702495	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"402777"	355.188018	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"764870"	521.287418	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1615155"	189.088618	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"328107"	178.097647	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"719800"	261.147347	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1476294"	95.047947	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1068000"	63.7010566666667	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1272187"	199.132886	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"392505"	371.161958	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"750298"	537.261358	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1549434"	205.062558	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"309526"	186.084617	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"699395"	269.134317	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1452485"	103.034917	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"244368"	374.232626	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1218168"	208.133226	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1204239"	104.570251	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"198932"	377.16996	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"637763"	543.26936	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1140176"	211.07056	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"180187"	189.088618	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"618652"	272.138318	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1122157"	106.038918	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1404587"	71.0283706666667	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1432698"	213.112146	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"225312"	194.12164	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1512281"	227.16419	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"411969"	197.075588	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"774057"	280.125288	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1669294"	114.025888	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"256909"	396.214568	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1231806"	230.115168	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1726165"	230.138693	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1192978"	78.3556846666667	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1661413"	235.094088	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"172290"	409.11784	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"611482"	575.21724	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1092347"	243.01844	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"149162"	205.062558	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"584352"	288.112258	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1079801"	122.012858	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1109731"	245.032992	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1345021"	245.120607	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1014645"	249.159776	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1533863"	250.153408	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"997030"	125.083526	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1592626"	251.068028	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1421567"	281.099538	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1155136"	145.596801	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1697073"	298.126085	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1634871"	303.08148	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1578182"	319.05542	"C09841"	"Carvone oxide"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"808550"	168.115	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M"	0
"985362"	149.09661	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"65952"	111.069390666667	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"505876"	167.107724	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"882216"	55.0310573333333	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"5165"	167.107724	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"446911"	251.165224	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"821433"	83.050224	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"85800"	335.222724	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"527546"	503.337724	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"900986"	167.107724	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"52077"	352.249271	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"491636"	520.364271	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"868343"	184.134271	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"36248"	357.204666	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"475810"	525.319666	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"851786"	189.089666	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1623149"	189.089666	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"96396"	185.096063	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"544708"	269.153563	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"934943"	101.038563	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"272406"	371.199402	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"663736"	539.314402	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1281248"	203.084402	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"26352"	373.178606	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"465913"	541.293606	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"844811"	205.063606	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1561735"	205.063606	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"952898"	213.113194	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"372211"	381.228201	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"358281"	395.243851	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1506018"	227.128851	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"970279"	235.095151	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"116998"	203.084402	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"553277"	287.141902	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1025357"	119.026902	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1243111"	247.033885	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1306288"	249.089872	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1320869"	271.071829	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"913754"	281.100586	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1297028"	317.077264	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1373001"	133.102324	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1396704"	151.1123	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"297117"	337.237276	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"685894"	505.352276	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1361879"	169.122276	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H"	1.007276
"136590"	169.122276	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"575783"	253.179776	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1041304"	85.064776	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"210299"	113.083942666667	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"647674"	169.122276	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1174917"	57.0456093333333	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"433449"	354.263823	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"797731"	522.378823	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1694059"	186.148823	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"341245"	177.6355495	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"735493"	261.6930495	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1486394"	93.5780495	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"401797"	359.219218	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"763887"	527.334218	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1610891"	191.104218	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"326030"	180.113247	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"718817"	264.170747	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1474824"	96.055747	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1062602"	64.3729233333333	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1269382"	201.148486	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"391602"	375.193158	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"750772"	543.308158	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1551367"	207.078158	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+K"	38.963158
"309636"	188.100217	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"699505"	272.157717	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1450408"	104.042717	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"243384"	378.263826	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1220466"	210.148826	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1204349"	105.578051	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"198313"	381.20116	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"638966"	549.31616	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1139192"	213.08616	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"180296"	191.104218	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"620948"	275.161718	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1120080"	107.046718	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1401780"	71.7002373333333	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1431715"	215.127746	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"224329"	196.13724	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1510205"	229.17979	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"410986"	199.091188	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"772343"	283.148688	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1667576"	115.033688	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"254832"	400.245768	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1230823"	232.130768	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1724087"	232.154293	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1192723"	79.0275513333333	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1661523"	237.109688	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"172034"	413.14904	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"611958"	581.26404	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1097925"	245.03404	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"149272"	207.078158	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"589926"	291.135658	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1078816"	123.020658	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1109841"	247.048592	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1346224"	247.136207	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1016941"	251.175376	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1533973"	252.169008	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"998234"	126.091326	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1592736"	253.083628	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1421677"	283.115138	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1155247"	146.604601	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1705891"	300.141685	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1634981"	305.09708	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1578292"	321.07102	"C09842"	"Chrysanthemic acid"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"808660"	150.1045	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M"	0
"985472"	131.08611	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"66426"	99.0623906666667	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"504163"	149.097224	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"882328"	49.0275573333333	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"5274"	149.097224	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"449208"	224.149474	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"821542"	74.044974	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"87003"	299.201724	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"528750"	449.306224	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"901096"	149.097224	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"51457"	316.228271	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"492109"	466.332771	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"869181"	166.123771	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"36358"	321.183666	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"475920"	471.288166	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"851532"	171.079166	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1621072"	171.079166	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"96506"	167.085563	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"544818"	242.137813	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"935053"	92.033313	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"272516"	335.178402	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"666033"	485.282902	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1283544"	185.073902	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"19901"	337.157606	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"467116"	487.262106	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"844918"	187.053106	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1561845"	187.053106	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"945352"	195.102694	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"374506"	345.207201	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"356202"	359.222851	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1506128"	209.118351	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"969296"	217.084651	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"118201"	185.073902	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"553751"	260.126152	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1024738"	110.021652	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1243585"	229.023385	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1306398"	231.079372	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1320014"	253.061329	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"914956"	263.090086	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1297138"	299.066764	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1372018"	115.091824	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1396082"	133.1018	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"297590"	301.216276	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"683816"	451.320776	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1356885"	151.111776	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"131960"	151.111776	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"573342"	226.164026	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1039588"	76.059526	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"207492"	101.076942666667	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"647784"	151.111776	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1172475"	51.0421093333333	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"433559"	318.242823	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"797477"	468.347323	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1694169"	168.138323	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"341355"	159.6250495	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"735604"	234.6772995	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1488690"	84.5727995	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"403000"	323.198218	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"766184"	473.302718	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1611001"	173.093718	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"325411"	162.102747	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"720020"	237.154997	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1474934"	87.050497	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1066355"	58.3694233333333	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1270585"	183.137986	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"390254"	339.172158	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"750882"	489.276658	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1549289"	189.067658	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"305371"	170.089717	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"697793"	245.141967	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1451611"	95.037467	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"241307"	342.242826	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1217296"	192.138326	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1201177"	96.572801	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"197329"	345.18016	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"634702"	495.28466	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1137116"	195.07566	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"176033"	173.093718	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"616686"	248.145968	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1118729"	98.041468	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1402616"	65.6967373333333	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1431825"	197.117246	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"224438"	178.12674	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1511408"	211.16929	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"412189"	181.080688	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"774276"	256.132938	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1667685"	106.028438	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"252753"	364.224768	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1230933"	214.120268	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1724926"	214.143793	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1188456"	73.0240513333333	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1659443"	219.099188	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"166307"	377.12804	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"605868"	527.23254	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1087100"	227.02354	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"145373"	189.067658	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"588942"	264.119908	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1078926"	114.015408	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1109951"	229.038092	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1348521"	229.125707	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1014864"	233.164876	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1535176"	234.158508	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1000530"	117.086076	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1595033"	235.073128	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1425067"	265.104638	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1155357"	137.599351	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1702721"	282.131185	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1634725"	287.08658	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1578402"	303.06052	"C09843"	"Chrysanthenone;(-)-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"814239"	154.1358	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M"	0
"985585"	135.11741	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"66172"	101.749924	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"505732"	153.128524	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"882073"	50.371324	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"2470"	153.128524	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"444943"	230.196424	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"820196"	76.060624	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"86020"	307.264324	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"526672"	461.400124	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"902299"	153.128524	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"53390"	324.290871	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"494044"	478.426671	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"870752"	170.155071	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"38654"	329.246266	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"477123"	483.382066	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"854922"	175.110466	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1619842"	175.110466	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"96971"	171.116863	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"537261"	248.184763	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"932974"	94.048963	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"274813"	343.241002	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"666143"	497.376802	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1283291"	189.105202	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"27306"	345.220206	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"466135"	499.356006	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"841748"	191.084406	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1561956"	191.084406	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"954217"	199.133994	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"373523"	353.269801	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"358866"	367.285451	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1505146"	213.149651	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"965032"	221.115951	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"118312"	189.105202	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"557873"	266.173102	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1023391"	112.037302	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1242480"	233.054685	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1305170"	235.110672	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1325105"	257.092629	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"916165"	267.121386	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1299436"	303.098064	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1379788"	119.123124	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1391818"	137.1331	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"296606"	309.278876	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"687208"	463.414676	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1356995"	155.143076	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"132070"	155.143076	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"574910"	232.210976	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1043710"	78.075176	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"206509"	103.764476	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"657012"	155.143076	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1176232"	52.385876	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"438051"	326.305423	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"795766"	480.441223	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696108"	172.169623	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"343657"	163.6563495	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"736079"	240.7242495	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1488805"	86.5884495	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"408430"	331.260818	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"767388"	485.396618	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1617188"	177.125018	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"329662"	166.134047	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"721958"	243.201947	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1476137"	89.066147	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1066104"	59.71319	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1270695"	187.169286	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"389632"	347.234758	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"751720"	501.370558	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1553046"	193.098958	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"307669"	174.121017	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"697903"	251.188917	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1448804"	97.053117	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"241414"	350.305426	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1216312"	196.169626	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1201288"	98.588451	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"196346"	353.24276	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"637000"	507.37856	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1137226"	199.10696	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"176508"	177.125018	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"619346"	254.192918	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1118480"	100.057118	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1401642"	67.040504	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1438135"	201.148546	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"231113"	182.15804	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1516987"	215.20059	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"414485"	185.111988	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"772199"	262.179888	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1671812"	108.044088	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"260520"	372.287368	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1232135"	218.151568	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1724307"	218.175093	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1188568"	74.367818	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1654088"	223.130488	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"160950"	385.19064	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"599417"	539.32644	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1088304"	231.05484	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"146214"	193.098958	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"584678"	270.166858	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1080129"	116.031058	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1112248"	233.069392	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1344259"	233.157007	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1014974"	237.196176	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1532006"	238.189808	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"999547"	119.101726	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1591863"	239.104428	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1418618"	269.135938	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1148907"	139.615001	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1699551"	286.162485	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1636300"	291.11788	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1578512"	307.09182	"C09844"	"18-Cineole;18-Cineol;Eucalyptol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"815442"	316.2038	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M"	0
"985695"	297.18541	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"66282"	209.795257333333	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"506935"	315.196524	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"882547"	104.393990666667	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"2701"	315.196524	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"442139"	473.298424	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"819942"	157.094624	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"85037"	631.400324	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"524596"	947.604124	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"905688"	315.196524	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"50583"	648.426871	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"491238"	964.630671	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"870862"	332.223071	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"40950"	653.382266	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"480512"	969.586066	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"853939"	337.178466	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1622382"	337.178466	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"95993"	333.184863	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"535915"	491.286763	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"933084"	175.082963	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"276016"	667.377002	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"666253"	983.580802	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1284128"	351.173202	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"26687"	669.356206	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"466244"	985.560006	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"840766"	353.152406	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1562066"	353.152406	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"955417"	361.201994	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"369258"	677.405801	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"353139"	691.421451	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1505254"	375.217651	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"965140"	383.183951	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"115139"	351.173202	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"559076"	509.275102	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1024958"	193.071302	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1243807"	395.122685	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1306256"	397.178672	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1327401"	419.160629	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"919554"	429.189386	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1297358"	465.166064	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1378808"	281.191124	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1394844"	299.2011	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"298053"	633.414876	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"684038"	949.618676	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1361115"	317.211076	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"132180"	317.211076	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"575749"	475.312976	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1044914"	159.109176	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"208444"	211.809809333333	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"656392"	317.211076	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1177682"	106.408542666667	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"437795"	650.441423	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"798426"	966.645223	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1693664"	334.237623	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"342307"	325.7243495	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"735095"	483.8262495	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1487821"	167.6224495	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"408293"	655.396818	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"766404"	971.600618	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1616326"	339.193018	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"329945"	328.202047	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"722621"	486.303947	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1472967"	170.100147	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1065120"	113.735856666667	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1268982"	349.237286	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"387555"	671.370758	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"747457"	987.574558	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1547323"	355.166958	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"307779"	336.189017	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"698012"	494.290917	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1459121"	178.087117	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"242619"	674.441426	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1214235"	358.237626	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1196294"	179.622451	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"192806"	677.37876	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"634923"	993.58256	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1137336"	361.17496	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"178441"	339.193018	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"616906"	497.294918	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1117981"	181.091118	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1402845"	121.063170666667	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1438245"	363.216546	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"232316"	344.22604	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1517097"	377.26859	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"413502"	347.179988	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"772309"	505.281888	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1671922"	189.078088	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"261723"	696.423368	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1232245"	380.219568	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1727332"	380.243093	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1191957"	128.390484666667	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1655290"	385.198488	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"163246"	709.32664	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"600620"	1025.53044	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1089507"	393.12284	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"144500"	355.166958	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"584058"	513.268858	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1071489"	197.065058	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1103972"	395.137392	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1346556"	395.225007	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1015084"	399.264176	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1533209"	400.257808	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"997470"	200.135726	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1594159"	401.172428	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1418728"	431.203938	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1149017"	220.649001	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1699661"	448.230485	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1636410"	453.18588	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1578622"	469.15982	"C09845"	"Cinerin I"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"813366"	360.1937	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M"	0
"983619"	341.17531	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-H2O-H"	-19.01839
"66392"	239.121857333333	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M-3H"	-3.021828
"505952"	359.186424	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M-3H"	-3.021828
"880107"	119.057290666667	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-3H"	-3.021828
"3419"	359.186424	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M-2H"	-2.014552
"440791"	539.283274	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M-2H"	-2.014552
"820781"	179.089574	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-2H"	-2.014552
"84054"	719.380124	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M-H"	-1.007276
"522521"	1079.573824	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M-H"	-1.007276
"901049"	359.186424	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-H"	-1.007276
"48871"	736.406671	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M-2H+NH4"	16.019271
"489890"	1096.600371	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M-2H+NH4"	16.019271
"870972"	376.212971	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-2H+NH4"	16.019271
"38874"	741.362066	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M-2H+Na"	20.974666
"480622"	1101.555766	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M-2H+Na"	20.974666
"852956"	381.168366	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-2H+Na"	20.974666
"1622492"	381.168366	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Na-2H"	20.974666
"96103"	377.174763	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M-H+Cl"	33.962126
"535297"	557.271613	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M-H+Cl"	33.962126
"933194"	197.077913	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-H+Cl"	33.962126
"276126"	755.356802	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+Cl"	34.969402
"669643"	1115.550502	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+Cl"	34.969402
"1280957"	395.163102	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Cl"	34.969402
"23514"	757.336006	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M-2H+K"	36.948606
"461980"	1117.529706	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M-2H+K"	36.948606
"840875"	397.142306	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-2H+K"	36.948606
"1562176"	397.142306	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+K-2H"	36.948606
"956987"	405.191894	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-H+HCOOH"	44.998194
"369368"	765.385601	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+HCOOH-H"	44.998201
"354342"	779.401251	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+Hac-H"	59.013851
"1507067"	419.207551	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Hac-H"	59.013851
"964157"	427.173851	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-H+NaCOOH"	66.980151
"115612"	395.163102	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+2Cl"	69.938804
"559186"	575.259952	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+2Cl"	69.938804
"1023610"	215.066252	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2Cl"	69.938804
"1242092"	439.112585	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Br"	78.918885
"1305272"	441.168572	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Cl+HCOOH"	80.974872
"1326418"	463.150529	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Cl+NaCOOH"	102.956829
"919664"	473.179286	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M-H+CF3COOH"	112.985586
"1297468"	509.155964	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Cl+CF3COOH"	148.962264
"1380012"	325.181024	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H-2H2O"	-35.012676
"1396776"	343.191	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H-H2O"	-17.0027
"298042"	721.394676	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+H"	1.007276
"684148"	1081.588376	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+H"	1.007276
"1361589"	361.200976	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H"	1.007276
"135570"	361.200976	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+2H"	2.014552
"575859"	541.297826	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+2H"	2.014552
"1043930"	181.104126	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2H"	2.014552
"207458"	241.136409333333	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+3H"	3.021828
"654676"	361.200976	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+3H"	3.021828
"1169524"	121.071842666667	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+3H"	3.021828
"437176"	738.421223	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+NH4"	18.033823
"798170"	1098.614923	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+NH4"	18.033823
"1693408"	378.227523	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+NH4"	18.033823
"342782"	369.7142495	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+H+NH4"	19.041099
"734111"	549.8110995	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+H+NH4"	19.041099
"1490116"	189.6173995	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H+NH4"	19.041099
"406983"	743.376618	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+Na"	22.989218
"765421"	1103.570318	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+Na"	22.989218
"1615707"	383.182918	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Na"	22.989218
"329760"	372.191947	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+H+Na"	23.996494
"722624"	552.288797	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+H+Na"	23.996494
"1474170"	192.095097	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H+Na"	23.996494
"1066323"	128.399156666667	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2H+Na"	25.00377
"1267998"	393.227186	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+CH3OH+H"	33.033486
"386571"	759.350558	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+K"	38.963158
"747566"	1119.544258	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+K"	38.963158
"1547433"	399.156858	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+K"	38.963158
"305701"	380.178917	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+H+K"	39.970434
"692655"	560.275767	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+H+K"	39.970434
"1456315"	200.082067	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H+K"	39.970434
"240542"	762.421226	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+ACN+H"	42.033826
"1215439"	402.227526	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+ACN+H"	42.033826
"1196404"	201.617401	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+ACN+2H"	43.041102
"192188"	765.35856	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+2Na-H"	44.97116
"631752"	1125.55226	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+2Na-H"	44.97116
"1135260"	405.16486	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2Na-H"	44.97116
"177456"	383.182918	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+2Na"	45.978436
"617016"	563.279768	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+2Na"	45.978436
"1117606"	203.086068	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2Na"	45.978436
"1400039"	135.726470666667	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H+2Na"	46.985712
"1432887"	407.206446	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H+HCOOH"	47.012746
"223676"	388.21594	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+3H2O+2H"	56.04448
"1513925"	421.25849	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+IsoProp+H"	61.06479
"410696"	391.169888	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+Na+K"	61.952376
"772419"	571.266738	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+Na+K"	61.952376
"1668752"	211.073038	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Na+K"	61.952376
"258553"	784.403168	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+ACN+Na"	64.015768
"1232355"	424.209468	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+ACN+Na"	64.015768
"1726712"	424.232993	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+NH4+HCOOH"	64.039293
"1189880"	143.053784666667	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+3Na"	68.967654
"1656494"	429.188388	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Na+HCOOH"	68.994688
"163356"	797.30644	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+2K-H"	76.91904
"599999"	1157.50014	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+2K-H"	76.91904
"1088523"	437.11274	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2K-H"	76.91904
"143514"	399.156858	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"2M+2K"	77.926316
"584165"	579.253708	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"3M+2K"	77.926316
"1070502"	219.060008	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2K"	77.926316
"1104811"	439.127292	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2K+H"	78.933592
"1346666"	439.214907	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+DMSO+H"	79.021207
"1015194"	443.254076	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2ACN+H"	83.060376
"1534413"	444.247708	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+IsoProp+Na+H"	84.054008
"1000861"	222.130676	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+2ACN+2H"	84.067652
"1595365"	445.162328	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+K+HCOOH"	84.968628
"1418838"	475.193838	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+H+CF3COOH"	115.000138
"1152407"	242.643951	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+3ACN+2H"	125.094202
"1699771"	492.220385	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+NH4+CF3COOH"	132.026685
"1636520"	497.17578	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+Na+CF3COOH"	136.98208
"1578732"	513.14972	"C09846"	"Cinerin II"	"C21H28O5"	"360.1937"	"M+K+CF3COOH"	152.95602
"814935"	152.1201	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M"	0
"985917"	133.10171	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"64316"	100.406124	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"504968"	151.112824	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"883861"	49.699424	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"2434"	151.112824	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"443089"	227.172874	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"819435"	75.052774	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"83073"	303.232924	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"522632"	455.353024	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"904815"	151.112824	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"48980"	320.259471	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"493281"	472.379571	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"867803"	168.139371	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"36799"	325.214866	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"477453"	477.334966	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"851975"	173.094766	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1621511"	173.094766	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"95123"	169.101163	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"538694"	245.161213	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"931117"	93.041113	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"276236"	339.209602	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"669753"	491.329702	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1283983"	187.089502	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"24720"	341.188806	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"465373"	493.308906	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"842081"	189.068706	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1565570"	189.068706	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"955639"	197.118294	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"372761"	349.238401	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"358104"	363.254051	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1502195"	211.133951	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"965727"	219.100251	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"113175"	187.089502	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"552371"	263.149552	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1024814"	111.029452	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1241596"	231.038985	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1304652"	233.094972	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1325435"	255.076929	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"917588"	265.105686	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1297578"	301.082364	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1381824"	117.107424	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1396765"	135.1174	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"297423"	305.247476	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"684258"	457.367576	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1362792"	153.127376	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H"	1.007276
"135680"	153.127376	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"576333"	229.187426	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1044041"	77.067326	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"208663"	102.420676	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"655881"	153.127376	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1170727"	51.713976	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"430719"	322.274023	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"799011"	474.394123	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1696073"	170.153923	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"343257"	161.6406495	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"736042"	237.7006995	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1492175"	85.5805995	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"405634"	327.229418	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"768693"	479.349518	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1615819"	175.109318	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"329953"	164.118347	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"722258"	240.178397	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1476846"	88.058297	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1067652"	59.04129	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1272636"	185.153586	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"388870"	343.203358	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"747677"	495.323458	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1549729"	191.083258	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+K"	38.963158
"305812"	172.105317	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"697140"	248.165367	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1450958"	96.045267	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"239560"	346.274026	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1218829"	194.153926	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1198701"	97.580601	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"192305"	349.21136	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"635142"	501.33146	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1137556"	197.09126	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"176838"	175.109318	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"617127"	251.169368	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1118447"	99.049268	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1401973"	66.368604	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1439560"	199.132846	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"232174"	180.14234	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1518411"	213.18489	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"417004"	183.096288	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"774718"	259.156338	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1668862"	107.036238	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"258663"	368.255968	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1237569"	216.135868	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1722447"	216.159393	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1188896"	73.695918	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1657696"	221.114788	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"160551"	381.15924	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"599383"	533.27934	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1086810"	229.03914	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"143992"	191.083258	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"583918"	267.143308	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1074990"	115.023208	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1104921"	231.053692	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1343496"	231.141307	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1009836"	235.180476	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1533429"	236.174108	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"994410"	118.093876	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1587944"	237.088728	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1418949"	267.120238	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1147294"	138.607151	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1708629"	284.146785	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1635901"	289.10218	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1578842"	305.07612	"C09847"	"cis-Citral;Neral"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"809207"	154.1358	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M"	0
"984931"	135.11741	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"68796"	101.749924	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"507261"	153.128524	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"883970"	50.371324	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"9105"	153.128524	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"450851"	230.196424	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828653"	76.060624	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"86457"	307.264324	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"527112"	461.400124	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"903817"	153.128524	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"58196"	324.290871	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"494110"	478.426671	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"872281"	170.155071	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"37992"	329.246266	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"478654"	483.382066	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"852081"	175.110466	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1620522"	175.110466	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"96319"	171.116863	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"536241"	248.184763	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"928422"	94.048963	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"269781"	343.241002	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"660625"	497.376802	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1276800"	189.105202	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"15902"	345.220206	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"455718"	499.356006	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"832944"	191.084406	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1555638"	191.084406	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"943384"	199.133994	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"363018"	353.269801	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"347267"	367.285451	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1494642"	213.149651	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"959630"	221.115951	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"111087"	189.105202	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"551380"	266.173102	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1023829"	112.037302	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1241743"	233.054685	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1305489"	235.110672	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321776"	257.092629	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"916604"	267.121386	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1297688"	303.098064	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1381690"	119.123124	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1395174"	137.1331	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"298021"	309.278876	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"686555"	463.414676	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1363631"	155.143076	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H"	1.007276
"135790"	155.143076	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"576079"	232.210976	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1043057"	78.075176	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"206587"	103.764476	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"652711"	155.143076	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1169744"	52.385876	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"429736"	326.305423	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"799485"	480.441223	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1693995"	172.169623	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"341906"	163.6563495	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"734330"	240.7242495	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1491920"	86.5884495	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"405380"	331.260818	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"768563"	485.396618	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616293"	177.125018	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"329127"	166.134047	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"720584"	243.201947	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1476102"	89.066147	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1065817"	59.71319	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1270408"	187.169286	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"388980"	347.234758	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"748880"	501.370558	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1545464"	193.098958	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+K"	38.963158
"305922"	174.121017	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"693968"	251.188917	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1451067"	97.053117	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"244041"	350.305426	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1216750"	196.169626	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1200632"	98.588451	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"194599"	353.24276	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"635614"	507.37856	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1136573"	199.10696	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"178770"	177.125018	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"619424"	254.192918	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1119650"	100.057118	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1404269"	67.040504	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1437484"	201.148546	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"231189"	182.15804	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1516334"	215.20059	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"417114"	185.111988	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"775921"	262.179888	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1668607"	108.044088	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"255492"	372.287368	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1227835"	218.151568	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1722557"	218.175093	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1185726"	74.367818	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1654891"	223.130488	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"160298"	385.19064	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"599127"	539.32644	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1092022"	231.05484	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"144467"	193.098958	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"584028"	270.166858	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1075100"	116.031058	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1110499"	233.069392	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1344699"	233.157007	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1009946"	237.196176	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1534632"	238.189808	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"995614"	119.101726	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1588657"	239.104428	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1419059"	269.135938	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1149713"	139.615001	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1708739"	286.162485	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1636375"	291.11788	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1578952"	307.09182	"C09848"	"(R)-()-Citronellal"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"801780"	156.1514	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M"	0
"982852"	137.13301	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-H2O-H"	-19.01839
"68907"	103.093657333333	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M-3H"	-3.021828
"506278"	155.144124	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M-3H"	-3.021828
"884080"	51.0431906666667	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-3H"	-3.021828
"9215"	155.144124	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M-2H"	-2.014552
"444401"	233.219824	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M-2H"	-2.014552
"826576"	77.068424	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-2H"	-2.014552
"82195"	311.295524	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M-H"	-1.007276
"526130"	467.446924	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M-H"	-1.007276
"903928"	155.144124	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-H"	-1.007276
"55025"	328.322071	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M-2H+NH4"	16.019271
"491307"	484.473471	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M-2H+NH4"	16.019271
"871296"	172.170671	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-2H+NH4"	16.019271
"37010"	333.277466	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M-2H+Na"	20.974666
"482046"	489.428866	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M-2H+Na"	20.974666
"856565"	177.126066	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-2H+Na"	20.974666
"1621725"	177.126066	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Na-2H"	20.974666
"97523"	173.132463	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M-H+Cl"	33.962126
"536719"	251.208163	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M-H+Cl"	33.962126
"928532"	95.056763	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-H+Cl"	33.962126
"268068"	347.272202	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+Cl"	34.969402
"663410"	503.423602	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+Cl"	34.969402
"1278003"	191.120802	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Cl"	34.969402
"16542"	349.251406	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M-2H+K"	36.948606
"456341"	505.402806	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M-2H+K"	36.948606
"833215"	193.100006	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-2H+K"	36.948606
"1556055"	193.100006	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+K-2H"	36.948606
"943575"	201.149594	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-H+HCOOH"	44.998194
"363494"	357.301001	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+HCOOH-H"	44.998201
"347379"	371.316651	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+Hac-H"	59.013851
"1494145"	215.165251	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Hac-H"	59.013851
"959136"	223.131551	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-H+NaCOOH"	66.980151
"110838"	191.120802	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+2Cl"	69.938804
"551126"	269.196502	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+2Cl"	69.938804
"1027586"	113.045102	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2Cl"	69.938804
"1244977"	235.070285	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Br"	78.918885
"1308882"	237.126272	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Cl+HCOOH"	80.974872
"1321273"	259.108229	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Cl+NaCOOH"	102.956829
"913426"	269.136986	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M-H+CF3COOH"	112.985586
"1297434"	305.113664	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Cl+CF3COOH"	148.962264
"1381312"	121.138724	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H-2H2O"	-35.012676
"1394554"	139.1487	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H-H2O"	-17.0027
"296791"	313.310076	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+H"	1.007276
"688852"	469.461476	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+H"	1.007276
"1363012"	157.158676	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H"	1.007276
"135536"	157.158676	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+2H"	2.014552
"573273"	235.234376	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+2H"	2.014552
"1040981"	79.082976	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2H"	2.014552
"211071"	105.108209333333	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+3H"	3.021828
"651729"	157.158676	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+3H"	3.021828
"1168761"	53.0577426666667	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+3H"	3.021828
"430939"	330.336623	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+NH4"	18.033823
"798500"	486.488023	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+NH4"	18.033823
"1692643"	174.185223	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+NH4"	18.033823
"339826"	165.6719495	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+H+NH4"	19.041099
"737601"	243.7476495	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+H+NH4"	19.041099
"1492269"	87.5962495	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H+NH4"	19.041099
"407312"	335.292018	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+Na"	22.989218
"769280"	491.443418	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+Na"	22.989218
"1616282"	179.140618	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Na"	22.989218
"329482"	168.149647	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+H+Na"	23.996494
"722392"	246.225347	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+H+Na"	23.996494
"1476698"	90.073947	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H+Na"	23.996494
"1067629"	60.3850566666667	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2H+Na"	25.00377
"1271610"	189.184886	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+CH3OH+H"	33.033486
"386904"	351.265958	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+K"	38.963158
"747897"	507.417358	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+K"	38.963158
"1545574"	195.114558	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+K"	38.963158
"301658"	176.136617	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+H+K"	39.970434
"694441"	254.212317	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+H+K"	39.970434
"1449353"	98.060917	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H+K"	39.970434
"240505"	354.336626	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+ACN+H"	42.033826
"1216860"	198.185226	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+ACN+H"	42.033826
"1204021"	99.596251	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+ACN+2H"	43.041102
"196894"	357.27396	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+2Na-H"	44.97116
"636453"	513.42536	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+2Na-H"	44.97116
"1138872"	201.12256	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2Na-H"	44.97116
"177058"	179.140618	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+2Na"	45.978436
"617345"	257.216318	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+2Na"	45.978436
"1120857"	101.064918	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2Na"	45.978436
"1403286"	67.7123706666667	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H+2Na"	46.985712
"1438687"	203.164146	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H+HCOOH"	47.012746
"231665"	184.17364	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+3H2O+2H"	56.04448
"1517538"	217.21619	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+IsoProp+H"	61.06479
"417224"	187.127588	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+Na+K"	61.952376
"772751"	265.203288	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+Na+K"	61.952376
"1667989"	109.051888	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Na+K"	61.952376
"257790"	376.318568	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+ACN+Na"	64.015768
"1234510"	220.167168	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+ACN+Na"	64.015768
"1722667"	220.190693	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+NH4+HCOOH"	64.039293
"1189482"	75.0396846666667	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+3Na"	68.967654
"1655731"	225.146088	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Na+HCOOH"	68.994688
"159313"	389.22184	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+2K-H"	76.91904
"599603"	545.37324	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+2K-H"	76.91904
"1093223"	233.07044	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2K-H"	76.91904
"144576"	195.114558	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"2M+2K"	77.926316
"587418"	273.190258	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"3M+2K"	77.926316
"1071929"	117.038858	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2K"	77.926316
"1112798"	235.084992	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2K+H"	78.933592
"1348091"	235.172607	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+DMSO+H"	79.021207
"1009325"	239.211776	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2ACN+H"	83.060376
"1530369"	240.205408	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+IsoProp+Na+H"	84.054008
"992442"	120.109526	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+2ACN+2H"	84.067652
"1591324"	241.120028	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+K+HCOOH"	84.968628
"1422449"	271.151538	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+H+CF3COOH"	115.000138
"1152739"	140.622801	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+3ACN+2H"	125.094202
"1708849"	288.178085	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+NH4+CF3COOH"	132.026685
"1642318"	293.13348	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+Na+CF3COOH"	136.98208
"1579062"	309.10742	"C09849"	"beta-Citronellol;(R)-()-Citronellol"	"C10H20O"	"156.1514"	"M+K+CF3COOH"	152.95602
"801772"	261.1729	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M"	0
"986242"	242.15451	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-H2O-H"	-19.01839
"70110"	173.107990666667	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M-3H"	-3.021828
"505294"	260.165624	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M-3H"	-3.021828
"885283"	86.0503573333333	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-3H"	-3.021828
"11512"	260.165624	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M-2H"	-2.014552
"446697"	390.752074	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M-2H"	-2.014552
"824500"	129.579174	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-2H"	-2.014552
"81212"	521.338524	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M-H"	-1.007276
"528428"	782.511424	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M-H"	-1.007276
"907321"	260.165624	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-H"	-1.007276
"54042"	538.365071	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M-2H+NH4"	16.019271
"492510"	799.537971	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M-2H+NH4"	16.019271
"869220"	277.192171	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-2H+NH4"	16.019271
"36390"	543.320466	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M-2H+Na"	20.974666
"475594"	804.493366	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M-2H+Na"	20.974666
"850844"	282.147566	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-2H+Na"	20.974666
"1620740"	282.147566	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Na-2H"	20.974666
"96178"	278.153963	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M-H+Cl"	33.962126
"536101"	408.740413	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M-H+Cl"	33.962126
"929615"	147.567513	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-H+Cl"	33.962126
"267936"	557.315202	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+Cl"	34.969402
"660600"	818.488102	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+Cl"	34.969402
"1274954"	296.142302	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Cl"	34.969402
"16165"	559.294406	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M-2H+K"	36.948606
"455882"	820.467306	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M-2H+K"	36.948606
"832951"	298.121506	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-2H+K"	36.948606
"1555925"	298.121506	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+K-2H"	36.948606
"943200"	306.171094	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-H+HCOOH"	44.998194
"363240"	567.344001	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+HCOOH-H"	44.998201
"349676"	581.359651	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+Hac-H"	59.013851
"1494131"	320.186751	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Hac-H"	59.013851
"959855"	328.153051	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-H+NaCOOH"	66.980151
"112405"	296.142302	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+2Cl"	69.938804
"553059"	426.728752	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+2Cl"	69.938804
"1028425"	165.555852	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2Cl"	69.938804
"1245817"	340.091785	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Br"	78.918885
"1308994"	342.147772	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Cl+HCOOH"	80.974872
"1321383"	364.129729	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Cl+NaCOOH"	102.956829
"912807"	374.158486	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M-H+CF3COOH"	112.985586
"1289886"	410.135164	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Cl+CF3COOH"	148.962264
"1376801"	226.160224	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H-2H2O"	-35.012676
"1395393"	244.1702	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H-H2O"	-17.0027
"293621"	523.353076	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+H"	1.007276
"688962"	784.525976	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+H"	1.007276
"1364216"	262.180176	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H"	1.007276
"132730"	262.180176	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+2H"	2.014552
"571196"	392.766626	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+2H"	2.014552
"1044371"	131.593726	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2H"	2.014552
"210087"	175.122542666667	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+3H"	3.021828
"652933"	262.180176	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+3H"	3.021828
"1171057"	88.0649093333333	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+3H"	3.021828
"429953"	540.379623	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+NH4"	18.033823
"788032"	801.552523	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+NH4"	18.033823
"1689470"	279.206723	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+NH4"	18.033823
"336656"	270.6934495	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+H+NH4"	19.041099
"731265"	401.2798995	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+H+NH4"	19.041099
"1490193"	140.1069995	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H+NH4"	19.041099
"405963"	545.335018	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+Na"	22.989218
"766231"	806.507918	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+Na"	22.989218
"1617242"	284.162118	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Na"	22.989218
"328863"	273.171147	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+H+Na"	23.996494
"721649"	403.757597	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+H+Na"	23.996494
"1475708"	142.584697	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H+Na"	23.996494
"1066766"	95.3922233333333	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2H+Na"	25.00377
"1267346"	294.206386	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+CH3OH+H"	33.033486
"385919"	561.308958	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+K"	38.963158
"749100"	822.481858	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+K"	38.963158
"1543497"	300.136058	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+K"	38.963158
"300675"	281.158117	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+H+K"	39.970434
"694188"	411.744567	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+H+K"	39.970434
"1450193"	150.571667	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H+K"	39.970434
"240981"	564.379626	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+ACN+H"	42.033826
"1215876"	303.206726	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+ACN+H"	42.033826
"1201946"	152.107001	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+ACN+2H"	43.041102
"192992"	567.31696	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+2Na-H"	44.97116
"633282"	828.48986	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+2Na-H"	44.97116
"1134238"	306.14406	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2Na-H"	44.97116
"174005"	284.162118	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+2Na"	45.978436
"616361"	414.748568	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+2Na"	45.978436
"1117072"	153.575668	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2Na"	45.978436
"1398514"	102.719537333333	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H+2Na"	46.985712
"1438797"	308.185646	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H+HCOOH"	47.012746
"228492"	289.19514	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+3H2O+2H"	56.04448
"1515461"	322.23769	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+IsoProp+H"	61.06479
"417334"	292.149088	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+Na+K"	61.952376
"773954"	422.735538	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+Na+K"	61.952376
"1667369"	161.562638	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Na+K"	61.952376
"253890"	586.361568	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+ACN+Na"	64.015768
"1234621"	325.188668	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+ACN+Na"	64.015768
"1718402"	325.212193	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+NH4+HCOOH"	64.039293
"1184852"	110.046851333333	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+3Na"	68.967654
"1655111"	330.167588	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Na+HCOOH"	68.994688
"161973"	599.26484	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+2K-H"	76.91904
"602264"	860.43774	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+2K-H"	76.91904
"1092240"	338.09194	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2K-H"	76.91904
"146872"	300.136058	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"2M+2K"	77.926316
"587528"	430.722508	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"3M+2K"	77.926316
"1072039"	169.549608	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2K"	77.926316
"1104156"	340.106492	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2K+H"	78.933592
"1347103"	340.194107	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+DMSO+H"	79.021207
"1009074"	344.233276	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2ACN+H"	83.060376
"1529386"	345.226908	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+IsoProp+Na+H"	84.054008
"993647"	172.620276	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+2ACN+2H"	84.067652
"1591434"	346.141528	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+K+HCOOH"	84.968628
"1419279"	376.173038	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+H+CF3COOH"	115.000138
"1152849"	193.133551	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+3ACN+2H"	125.094202
"1703492"	393.199585	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+NH4+CF3COOH"	132.026685
"1645708"	398.15498	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+Na+CF3COOH"	136.98208
"1579172"	414.12892	"C09850"	"Acrifoline"	"C16H23NO2"	"261.1729"	"M+K+CF3COOH"	152.95602
"806257"	263.1885	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M"	0
"983072"	244.17011	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-H2O-H"	-19.01839
"69125"	174.451724	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M-3H"	-3.021828
"510872"	262.181224	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M-3H"	-3.021828
"887580"	86.722224	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-3H"	-3.021828
"7249"	262.181224	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M-2H"	-2.014552
"444621"	393.775474	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M-2H"	-2.014552
"826799"	130.586974	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-2H"	-2.014552
"90070"	525.369724	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M-H"	-1.007276
"527446"	788.558224	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M-H"	-1.007276
"907431"	262.181224	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-H"	-1.007276
"55245"	542.396271	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M-2H+NH4"	16.019271
"496994"	805.584771	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M-2H+NH4"	16.019271
"871516"	279.207771	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-2H+NH4"	16.019271
"38322"	547.351666	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M-2H+Na"	20.974666
"474610"	810.540166	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M-2H+Na"	20.974666
"849497"	284.163166	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-2H+Na"	20.974666
"1620124"	284.163166	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Na-2H"	20.974666
"96288"	280.169563	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M-H+Cl"	33.962126
"536212"	411.763813	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M-H+Cl"	33.962126
"928268"	148.575313	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-H+Cl"	33.962126
"269018"	561.346402	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+Cl"	34.969402
"661685"	824.534902	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+Cl"	34.969402
"1275307"	298.157902	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Cl"	34.969402
"16072"	563.325606	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M-2H+K"	36.948606
"456359"	826.514106	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M-2H+K"	36.948606
"833194"	300.137106	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-2H+K"	36.948606
"1556074"	300.137106	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+K-2H"	36.948606
"943187"	308.186694	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-H+HCOOH"	44.998194
"363349"	571.375201	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+HCOOH-H"	44.998201
"349422"	585.390851	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+Hac-H"	59.013851
"1494607"	322.202351	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Hac-H"	59.013851
"965799"	330.168651	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-H+NaCOOH"	66.980151
"112515"	298.157902	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+2Cl"	69.938804
"552075"	429.752152	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+2Cl"	69.938804
"1030722"	166.563652	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2Cl"	69.938804
"1248115"	342.107385	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Br"	78.918885
"1311656"	344.163372	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Cl+HCOOH"	80.974872
"1322224"	366.145329	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Cl+NaCOOH"	102.956829
"914375"	376.174086	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M-H+CF3COOH"	112.985586
"1289996"	412.150764	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Cl+CF3COOH"	148.962264
"1373995"	228.175824	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H-2H2O"	-35.012676
"1392589"	246.1858	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H-H2O"	-17.0027
"296283"	527.384276	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+H"	1.007276
"689801"	790.572776	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+H"	1.007276
"1361045"	264.195776	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H"	1.007276
"132840"	264.195776	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+2H"	2.014552
"570213"	395.790026	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+2H"	2.014552
"1043387"	132.601526	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2H"	2.014552
"209102"	176.466276	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+3H"	3.021828
"649758"	264.195776	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+3H"	3.021828
"1167881"	88.736776	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+3H"	3.021828
"428969"	544.410823	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+NH4"	18.033823
"791057"	807.599323	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+NH4"	18.033823
"1686298"	281.222323	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+NH4"	18.033823
"334575"	272.7090495	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+H+NH4"	19.041099
"725175"	404.3032995	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+H+NH4"	19.041099
"1489574"	141.1147995	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H+NH4"	19.041099
"406801"	549.366218	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+Na"	22.989218
"766701"	812.554718	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+Na"	22.989218
"1615893"	286.177718	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Na"	22.989218
"328118"	275.186747	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+H+Na"	23.996494
"721271"	406.780997	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+H+Na"	23.996494
"1475452"	143.592497	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H+Na"	23.996494
"1065778"	96.06409	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2H+Na"	25.00377
"1267456"	296.221986	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+CH3OH+H"	33.033486
"386029"	565.340158	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+K"	38.963158
"749210"	828.528658	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+K"	38.963158
"1542513"	302.151658	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+K"	38.963158
"301878"	283.173717	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+H+K"	39.970434
"693204"	414.767967	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+H+K"	39.970434
"1449210"	151.579467	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H+K"	39.970434
"241090"	568.410826	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+ACN+H"	42.033826
"1217078"	305.222326	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+ACN+H"	42.033826
"1202056"	153.114801	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+ACN+2H"	43.041102
"193102"	571.34816	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+2Na-H"	44.97116
"631569"	834.53666	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+2Na-H"	44.97116
"1134714"	308.15966	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2Na-H"	44.97116
"174847"	286.177718	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+2Na"	45.978436
"616106"	417.771968	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+2Na"	45.978436
"1116332"	154.583468	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2Na"	45.978436
"1399004"	103.391404	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H+2Na"	46.985712
"1432345"	310.201246	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H+HCOOH"	47.012746
"228602"	291.21074	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+3H2O+2H"	56.04448
"1512290"	324.25329	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+IsoProp+H"	61.06479
"416351"	294.164688	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+Na+K"	61.952376
"776251"	425.758938	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+Na+K"	61.952376
"1668209"	162.570438	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Na+K"	61.952376
"253271"	590.392768	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+ACN+Na"	64.015768
"1232908"	327.204268	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+ACN+Na"	64.015768
"1718511"	327.227793	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+NH4+HCOOH"	64.039293
"1184962"	110.718718	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+3Na"	68.967654
"1655949"	332.183188	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Na+HCOOH"	68.994688
"161719"	603.29604	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+2K-H"	76.91904
"600551"	866.48454	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+2K-H"	76.91904
"1091256"	340.10754	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2K-H"	76.91904
"148075"	302.151658	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"2M+2K"	77.926316
"587638"	433.745908	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"3M+2K"	77.926316
"1072149"	170.557408	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2K"	77.926316
"1103537"	342.122092	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2K+H"	78.933592
"1347213"	342.209707	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+DMSO+H"	79.021207
"1008088"	346.248876	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2ACN+H"	83.060376
"1527309"	347.242508	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+IsoProp+Na+H"	84.054008
"993757"	173.628076	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+2ACN+2H"	84.067652
"1588264"	348.157128	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+K+HCOOH"	84.968628
"1419389"	378.188638	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+H+CF3COOH"	115.000138
"1156239"	194.141351	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+3ACN+2H"	125.094202
"1701416"	395.215185	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+NH4+CF3COOH"	132.026685
"1642538"	400.17058	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+Na+CF3COOH"	136.98208
"1576001"	416.14452	"C09851"	"Annofoline;(15R)-5beta-Hydroxy-15-methyllycopodan-8-one"	"C16H25NO2"	"263.1885"	"M+K+CF3COOH"	152.95602
"803450"	275.1521	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M"	0
"983183"	256.13371	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-H2O-H"	-19.01839
"72516"	182.427457333333	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M-3H"	-3.021828
"509890"	274.144824	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M-3H"	-3.021828
"884410"	90.7100906666667	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-3H"	-3.021828
"7360"	274.144824	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M-2H"	-2.014552
"446918"	411.720874	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M-2H"	-2.014552
"824722"	136.568774	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-2H"	-2.014552
"85807"	549.296924	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M-H"	-1.007276
"525369"	824.449024	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M-H"	-1.007276
"905353"	274.144824	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-H"	-1.007276
"55355"	566.323471	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M-2H+NH4"	16.019271
"493824"	841.475571	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M-2H+NH4"	16.019271
"870534"	291.171371	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-2H+NH4"	16.019271
"34424"	571.278866	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M-2H+Na"	20.974666
"472535"	846.430966	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M-2H+Na"	20.974666
"852525"	296.126766	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-2H+Na"	20.974666
"1619141"	296.126766	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Na-2H"	20.974666
"96762"	292.133163	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M-H+Cl"	33.962126
"537051"	429.709213	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M-H+Cl"	33.962126
"927527"	154.557113	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-H+Cl"	33.962126
"269128"	585.273602	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+Cl"	34.969402
"663740"	860.425702	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+Cl"	34.969402
"1273470"	310.121502	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Cl"	34.969402
"15854"	587.252806	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M-2H+K"	36.948606
"455835"	862.404906	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M-2H+K"	36.948606
"833508"	312.100706	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-2H+K"	36.948606
"1556268"	312.100706	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+K-2H"	36.948606
"944513"	320.150294	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-H+HCOOH"	44.998194
"362731"	595.302401	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+HCOOH-H"	44.998201
"347340"	609.318051	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+Hac-H"	59.013851
"1494716"	334.165951	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Hac-H"	59.013851
"960077"	342.132251	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-H+NaCOOH"	66.980151
"111531"	310.121502	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+2Cl"	69.938804
"551093"	447.697552	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+2Cl"	69.938804
"1030835"	172.545452	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2Cl"	69.938804
"1250412"	354.070985	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Br"	78.918885
"1313954"	356.126972	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Cl+HCOOH"	80.974872
"1320878"	378.108929	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Cl+NaCOOH"	102.956829
"914849"	388.137686	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M-H+CF3COOH"	112.985586
"1290470"	424.114364	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Cl+CF3COOH"	148.962264
"1375198"	240.139424	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H-2H2O"	-35.012676
"1393788"	258.1494	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H-H2O"	-17.0027
"298101"	551.311476	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+H"	1.007276
"688087"	826.463576	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+H"	1.007276
"1361155"	276.159376	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H"	1.007276
"132950"	276.159376	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+2H"	2.014552
"570323"	413.735426	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+2H"	2.014552
"1043497"	138.583326	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2H"	2.014552
"209212"	184.442009333333	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+3H"	3.021828
"654240"	276.159376	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+3H"	3.021828
"1165805"	92.7246426666667	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+3H"	3.021828
"431265"	568.338023	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+NH4"	18.033823
"790073"	843.490123	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+NH4"	18.033823
"1687501"	293.185923	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+NH4"	18.033823
"334685"	284.6726495	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+H+NH4"	19.041099
"724069"	422.2486995	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+H+NH4"	19.041099
"1489684"	147.0965995	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H+NH4"	19.041099
"405086"	573.293418	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+Na"	22.989218
"767174"	848.445518	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+Na"	22.989218
"1611994"	298.141318	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Na"	22.989218
"326403"	287.150347	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+H+Na"	23.996494
"719920"	424.726397	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+H+Na"	23.996494
"1474467"	149.574297	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H+Na"	23.996494
"1068075"	100.051956666667	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2H+Na"	25.00377
"1265379"	308.185586	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+CH3OH+H"	33.033486
"381766"	589.267358	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+K"	38.963158
"742761"	864.419458	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+K"	38.963158
"1541529"	314.115258	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+K"	38.963158
"298731"	295.137317	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+H+K"	39.970434
"691891"	432.713367	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+H+K"	39.970434
"1448589"	157.561267	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H+K"	39.970434
"240106"	592.338026	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+ACN+H"	42.033826
"1216093"	317.185926	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+ACN+H"	42.033826
"1204352"	159.096601	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+ACN+2H"	43.041102
"192849"	595.27536	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+2Na-H"	44.97116
"633866"	870.42746	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+2Na-H"	44.97116
"1134821"	320.12326	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2Na-H"	44.97116
"175926"	298.141318	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+2Na"	45.978436
"615488"	435.717368	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+2Na"	45.978436
"1116075"	160.565268	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2Na"	45.978436
"1398708"	107.379270666667	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H+2Na"	46.985712
"1431357"	322.164846	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H+HCOOH"	47.012746
"225431"	303.17434	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+3H2O+2H"	56.04448
"1508494"	336.21689	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+IsoProp+H"	61.06479
"408602"	306.128288	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+Na+K"	61.952376
"771135"	443.704338	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+Na+K"	61.952376
"1666373"	168.552238	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Na+K"	61.952376
"253746"	614.319968	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+ACN+Na"	64.015768
"1234111"	339.167868	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+ACN+Na"	64.015768
"1717528"	339.191393	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+NH4+HCOOH"	64.039293
"1183979"	114.706584666667	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+3Na"	68.967654
"1652779"	344.146788	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Na+HCOOH"	68.994688
"160007"	627.22324	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+2K-H"	76.91904
"599203"	902.37534	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+2K-H"	76.91904
"1089544"	352.07114	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2K-H"	76.91904
"145998"	314.115258	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"2M+2K"	77.926316
"587748"	451.691308	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"3M+2K"	77.926316
"1070437"	176.539208	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2K"	77.926316
"1103282"	354.085692	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2K+H"	78.933592
"1347323"	354.173307	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+DMSO+H"	79.021207
"1006864"	358.212476	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2ACN+H"	83.060376
"1526324"	359.206108	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+IsoProp+Na+H"	84.054008
"991681"	179.609876	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+2ACN+2H"	84.067652
"1587642"	360.120728	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+K+HCOOH"	84.968628
"1416219"	390.152238	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+H+CF3COOH"	115.000138
"1149788"	200.123151	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+3ACN+2H"	125.094202
"1700433"	407.178785	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+NH4+CF3COOH"	132.026685
"1647752"	412.13418	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+Na+CF3COOH"	136.98208
"1579392"	428.10812	"C09852"	"Annotine"	"C16H21NO3"	"275.1521"	"M+K+CF3COOH"	152.95602
"803560"	198.0892	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M"	0
"986573"	179.07081	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-H2O-H"	-19.01839
"72626"	131.052190666667	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M-3H"	-3.021828
"510000"	197.081924	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M-3H"	-3.021828
"884520"	65.0224573333333	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-3H"	-3.021828
"8563"	197.081924	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M-2H"	-2.014552
"448121"	296.126524	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M-2H"	-2.014552
"822645"	98.037324	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-2H"	-2.014552
"87009"	395.171124	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M-H"	-1.007276
"527665"	593.260324	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M-H"	-1.007276
"906556"	197.081924	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-H"	-1.007276
"57652"	412.197671	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M-2H+NH4"	16.019271
"495027"	610.286871	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M-2H+NH4"	16.019271
"868091"	214.108471	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-2H+NH4"	16.019271
"36353"	417.153066	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M-2H+Na"	20.974666
"473737"	615.242266	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M-2H+Na"	20.974666
"854822"	219.063866	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-2H+Na"	20.974666
"1621074"	219.063866	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Na-2H"	20.974666
"96143"	215.070263	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M-H+Cl"	33.962126
"536070"	314.114863	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M-H+Cl"	33.962126
"929583"	116.025663	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-H+Cl"	33.962126
"271425"	431.147802	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+Cl"	34.969402
"663850"	629.237002	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+Cl"	34.969402
"1275162"	233.058602	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Cl"	34.969402
"15848"	433.127006	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M-2H+K"	36.948606
"456543"	631.216206	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M-2H+K"	36.948606
"833618"	235.037806	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-2H+K"	36.948606
"1557107"	235.037806	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+K-2H"	36.948606
"946813"	243.087394	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-H+HCOOH"	44.998194
"365030"	441.176601	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+HCOOH-H"	44.998201
"347452"	455.192251	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+Hac-H"	59.013851
"1495190"	257.103051	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Hac-H"	59.013851
"960915"	265.069351	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-H+NaCOOH"	66.980151
"112006"	233.058602	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+2Cl"	69.938804
"550838"	332.103202	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+2Cl"	69.938804
"1030945"	134.014002	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2Cl"	69.938804
"1251615"	277.008085	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Br"	78.918885
"1314064"	279.064072	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Cl+HCOOH"	80.974872
"1322447"	301.046029	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Cl+NaCOOH"	102.956829
"912773"	311.074786	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M-H+CF3COOH"	112.985586
"1290581"	347.051464	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Cl+CF3COOH"	148.962264
"1375308"	163.076524	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H-2H2O"	-35.012676
"1392805"	181.0865	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H-H2O"	-17.0027
"297843"	397.185676	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+H"	1.007276
"687104"	595.274876	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+H"	1.007276
"1360172"	199.096476	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H"	1.007276
"133060"	199.096476	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+2H"	2.014552
"570433"	298.141076	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+2H"	2.014552
"1043607"	100.051876	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2H"	2.014552
"211509"	133.066742666667	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+3H"	3.021828
"652164"	199.096476	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+3H"	3.021828
"1168101"	67.0370093333333	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+3H"	3.021828
"428095"	414.212223	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+NH4"	18.033823
"791276"	612.301423	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+NH4"	18.033823
"1687611"	216.123023	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+NH4"	18.033823
"334795"	207.6097495	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+H+NH4"	19.041099
"727581"	306.6543495	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+H+NH4"	19.041099
"1489430"	108.5651495	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H+NH4"	19.041099
"404465"	419.167618	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+Na"	22.989218
"767647"	617.256818	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+Na"	22.989218
"1614290"	221.078418	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Na"	22.989218
"327485"	210.087447	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+H+Na"	23.996494
"719662"	309.132047	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+H+Na"	23.996494
"1475429"	111.042847	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H+Na"	23.996494
"1067337"	74.3643233333333	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2H+Na"	25.00377
"1265489"	231.122686	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+CH3OH+H"	33.033486
"384062"	435.141558	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+K"	38.963158
"743963"	633.230758	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+K"	38.963158
"1542732"	237.052358	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+K"	38.963158
"298934"	218.074417	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+H+K"	39.970434
"692330"	317.119017	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+H+K"	39.970434
"1446876"	119.029817	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H+K"	39.970434
"239487"	438.212226	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+ACN+H"	42.033826
"1216206"	240.123026	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+ACN+H"	42.033826
"1202275"	120.565151	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+ACN+2H"	43.041102
"194052"	441.14956	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+2Na-H"	44.97116
"632519"	639.23876	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+2Na-H"	44.97116
"1133839"	243.06036	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2Na-H"	44.97116
"174943"	221.078418	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+2Na"	45.978436
"613894"	320.123018	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+2Na"	45.978436
"1117280"	122.033818	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2Na"	45.978436
"1398700"	81.6916373333333	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H+2Na"	46.985712
"1430043"	245.101946	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H+HCOOH"	47.012746
"225541"	226.11144	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+3H2O+2H"	56.04448
"1508669"	259.15399	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+IsoProp+H"	61.06479
"409158"	229.065388	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+Na+K"	61.952376
"770011"	328.109988	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+Na+K"	61.952376
"1665874"	130.020788	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Na+K"	61.952376
"251791"	460.194168	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+ACN+Na"	64.015768
"1233128"	262.104968	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+ACN+Na"	64.015768
"1716545"	262.128493	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+NH4+HCOOH"	64.039293
"1180078"	89.0189513333333	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+3Na"	68.967654
"1657263"	267.083888	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Na+HCOOH"	68.994688
"164127"	473.09744	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+2K-H"	76.91904
"600405"	671.18664	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+2K-H"	76.91904
"1091477"	275.00824	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2K-H"	76.91904
"149388"	237.052358	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"2M+2K"	77.926316
"591138"	336.096958	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"3M+2K"	77.926316
"1071276"	138.007758	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2K"	77.926316
"1104485"	277.022792	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2K+H"	78.933592
"1347433"	277.110407	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+DMSO+H"	79.021207
"1007218"	281.149576	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2ACN+H"	83.060376
"1528623"	282.143208	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+IsoProp+Na+H"	84.054008
"993977"	141.078426	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+2ACN+2H"	84.067652
"1590667"	283.057828	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+K+HCOOH"	84.968628
"1422888"	313.089338	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+H+CF3COOH"	115.000138
"1149898"	161.591701	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+3ACN+2H"	125.094202
"1700543"	330.115885	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+NH4+CF3COOH"	132.026685
"1646039"	335.07128	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+Na+CF3COOH"	136.98208
"1579502"	351.04522	"C09853"	"12-Dihydroxymint lactone"	"C10H14O4"	"198.0892"	"M+K+CF3COOH"	152.95602
"803306"	168.115	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M"	0
"983403"	149.09661	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"68362"	111.069390666667	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"512297"	167.107724	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"884630"	55.0310573333333	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"8673"	167.107724	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"446045"	251.165224	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"828222"	83.050224	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"86026"	335.222724	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"531055"	503.337724	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"901201"	167.107724	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"52295"	352.249271	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"495137"	520.364271	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"868201"	184.134271	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"36829"	357.204666	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"474575"	525.319666	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"854932"	189.089666	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1621186"	189.089666	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"97712"	185.096063	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"539460"	269.153563	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"928601"	101.038563	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"268617"	371.199402	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"662130"	539.314402	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1277460"	203.084402	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"16366"	373.178606	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"457262"	541.293606	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"836283"	205.063606	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1559771"	205.063606	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"947652"	213.113194	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"363317"	381.228201	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"349751"	395.243851	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1496395"	227.128851	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"960661"	235.095151	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"112114"	203.084402	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"551068"	287.141902	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1029233"	119.026902	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1249539"	247.033885	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1315268"	249.089872	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1322193"	271.071829	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"912886"	281.100586	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1290327"	317.077264	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1371045"	133.102324	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1392915"	151.1123	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"291508"	337.237276	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"685027"	505.352276	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1358095"	169.122276	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H"	1.007276
"133170"	169.122276	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"567263"	253.179776	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1043717"	85.064776	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"211619"	113.083942666667	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"651181"	169.122276	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1166025"	57.0456093333333	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"428205"	354.263823	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"790293"	522.378823	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1689908"	186.148823	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"338185"	177.6355495	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"726962"	261.6930495	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1490269"	93.5780495	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"406761"	359.219218	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"768121"	527.334218	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1616586"	191.104218	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"328688"	180.113247	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"721838"	264.170747	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1473958"	96.055747	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1067932"	64.3729233333333	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1264506"	201.148486	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"383079"	375.193158	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"742980"	543.308158	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1541022"	207.078158	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+K"	38.963158
"301479"	188.100217	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"692076"	272.157717	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1448447"	104.042717	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"240326"	378.263826	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1216317"	210.148826	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1202385"	105.578051	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"195255"	381.20116	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"634815"	549.31616	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1134677"	213.08616	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"174324"	191.104218	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"613887"	275.161718	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1118119"	107.046718	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1403836"	71.7002373333333	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1433766"	215.127746	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"225650"	196.13724	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1508972"	229.17979	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"409022"	199.091188	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"772569"	283.148688	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1667446"	115.033688	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"251898"	400.245768	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1233238"	232.130768	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1713618"	232.154293	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1179580"	79.0275513333333	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1656279"	237.109688	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"160954"	413.14904	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"602701"	581.26404	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1086119"	245.03404	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"143054"	207.078158	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"584683"	291.135658	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1070657"	123.020658	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1105689"	247.048592	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1346450"	247.136207	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1011701"	251.175376	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1530919"	252.169008	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"991898"	126.091326	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1587862"	253.083628	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1419718"	283.115138	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1150007"	146.604601	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1700653"	300.141685	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1642868"	305.09708	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1579612"	321.07102	"C09854"	"Diosphenol"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"803414"	275.1521	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M"	0
"988255"	256.13371	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-H2O-H"	-19.01839
"64467"	182.427457333333	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M-3H"	-3.021828
"508034"	274.144824	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M-3H"	-3.021828
"884741"	90.7100906666667	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-3H"	-3.021828
"8783"	274.144824	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M-2H"	-2.014552
"450530"	411.720874	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M-2H"	-2.014552
"821040"	136.568774	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-2H"	-2.014552
"86136"	549.296924	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M-H"	-1.007276
"520956"	824.449024	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M-H"	-1.007276
"902405"	274.144824	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-H"	-1.007276
"56780"	566.323471	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M-2H+NH4"	16.019271
"490144"	841.475571	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M-2H+NH4"	16.019271
"870863"	291.171371	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-2H+NH4"	16.019271
"39867"	571.278866	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M-2H+Na"	20.974666
"480522"	846.430966	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M-2H+Na"	20.974666
"858323"	296.126766	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-2H+Na"	20.974666
"1621297"	296.126766	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Na-2H"	20.974666
"98919"	292.133163	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M-H+Cl"	33.962126
"538479"	429.709213	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M-H+Cl"	33.962126
"928712"	154.557113	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-H+Cl"	33.962126
"269820"	585.273602	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+Cl"	34.969402
"661998"	860.425702	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+Cl"	34.969402
"1274652"	310.121502	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Cl"	34.969402
"21218"	587.252806	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M-2H+K"	36.948606
"461872"	862.404906	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M-2H+K"	36.948606
"837853"	312.100706	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-2H+K"	36.948606
"1556274"	312.100706	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+K-2H"	36.948606
"944848"	320.150294	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-H+HCOOH"	44.998194
"365617"	595.302401	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+HCOOH-H"	44.998201
"348401"	609.318051	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+Hac-H"	59.013851
"1497240"	334.165951	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Hac-H"	59.013851
"961135"	342.132251	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-H+NaCOOH"	66.980151
"113317"	310.121502	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+2Cl"	69.938804
"551787"	447.697552	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+2Cl"	69.938804
"1031165"	172.545452	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2Cl"	69.938804
"1249649"	354.070985	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Br"	78.918885
"1314285"	356.126972	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Cl+HCOOH"	80.974872
"1322667"	378.108929	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Cl+NaCOOH"	102.956829
"913362"	388.137686	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M-H+CF3COOH"	112.985586
"1290801"	424.114364	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Cl+CF3COOH"	148.962264
"1374435"	240.139424	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H-2H2O"	-35.012676
"1393025"	258.1494	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H-H2O"	-17.0027
"291618"	551.311476	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+H"	1.007276
"685138"	826.463576	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+H"	1.007276
"1358206"	276.159376	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H"	1.007276
"133280"	276.159376	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+2H"	2.014552
"567373"	413.735426	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+2H"	2.014552
"1047108"	138.583326	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2H"	2.014552
"208451"	184.442009333333	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+3H"	3.021828
"651293"	276.159376	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+3H"	3.021828
"1169418"	92.7246426666667	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+3H"	3.021828
"429409"	568.338023	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+NH4"	18.033823
"789310"	843.490123	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+NH4"	18.033823
"1687834"	293.185923	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+NH4"	18.033823
"336110"	284.6726495	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+H+NH4"	19.041099
"726344"	422.2486995	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+H+NH4"	19.041099
"1480892"	147.0965995	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H+NH4"	19.041099
"396658"	573.293418	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+Na"	22.989218
"763123"	848.445518	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+Na"	22.989218
"1605752"	298.141318	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Na"	22.989218
"319070"	287.150347	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+H+Na"	23.996494
"713678"	424.726397	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+H+Na"	23.996494
"1474068"	149.574297	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H+Na"	23.996494
"1066950"	100.051956666667	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2H+Na"	25.00377
"1268990"	308.185586	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+CH3OH+H"	33.033486
"388658"	589.267358	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+K"	38.963158
"745279"	864.419458	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+K"	38.963158
"1547329"	314.115258	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+K"	38.963158
"301225"	295.137317	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+H+K"	39.970434
"692551"	432.713367	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+H+K"	39.970434
"1449286"	157.561267	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H+K"	39.970434
"241533"	592.338026	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+ACN+H"	42.033826
"1217521"	317.185926	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+ACN+H"	42.033826
"1200310"	159.096601	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+ACN+2H"	43.041102
"196460"	595.27536	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+2Na-H"	44.97116
"633832"	870.42746	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+2Na-H"	44.97116
"1134787"	320.12326	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2Na-H"	44.97116
"173584"	298.141318	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+2Na"	45.978436
"614848"	435.717368	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+2Na"	45.978436
"1116646"	160.565268	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2Na"	45.978436
"1407226"	107.379270666667	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H+2Na"	46.985712
"1438248"	322.164846	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H+HCOOH"	47.012746
"227948"	303.17434	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+3H2O+2H"	56.04448
"1510542"	336.21689	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+IsoProp+H"	61.06479
"412415"	306.128288	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+Na+K"	61.952376
"775958"	443.704338	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+Na+K"	61.952376
"1669377"	168.552238	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Na+K"	61.952376
"255168"	614.319968	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+ACN+Na"	64.015768
"1233348"	339.167868	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+ACN+Na"	64.015768
"1716035"	339.191393	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+NH4+HCOOH"	64.039293
"1181024"	114.706584666667	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+3Na"	68.967654
"1655297"	344.146788	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Na+HCOOH"	68.994688
"161065"	627.22324	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+2K-H"	76.91904
"601718"	902.37534	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+2K-H"	76.91904
"1087323"	352.07114	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2K-H"	76.91904
"143404"	314.115258	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"2M+2K"	77.926316
"588074"	451.691308	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"3M+2K"	77.926316
"1071496"	176.539208	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2K"	77.926316
"1106892"	354.085692	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2K+H"	78.933592
"1346560"	354.173307	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+DMSO+H"	79.021207
"1009625"	358.212476	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2ACN+H"	83.060376
"1531029"	359.206108	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+IsoProp+Na+H"	84.054008
"997477"	179.609876	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+2ACN+2H"	84.067652
"1591983"	360.120728	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+K+HCOOH"	84.968628
"1418734"	390.152238	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+H+CF3COOH"	115.000138
"1150117"	200.123151	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+3ACN+2H"	125.094202
"1704043"	407.178785	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+NH4+CF3COOH"	132.026685
"1645165"	412.13418	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+Na+CF3COOH"	136.98208
"1579722"	428.10812	"C09855"	"Annotinine"	"C16H21NO3"	"275.1521"	"M+K+CF3COOH"	152.95602
"803525"	276.1838	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M"	0
"981433"	257.16541	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-H2O-H"	-19.01839
"70770"	183.115257333333	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M-3H"	-3.021828
"510330"	275.176524	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M-3H"	-3.021828
"882665"	91.0539906666667	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-3H"	-3.021828
"6706"	275.176524	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M-2H"	-2.014552
"440350"	413.268424	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M-2H"	-2.014552
"819693"	137.084624	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-2H"	-2.014552
"84059"	551.360324	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M-H"	-1.007276
"519973"	827.544124	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M-H"	-1.007276
"898141"	275.176524	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-H"	-1.007276
"52516"	568.386871	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M-2H+NH4"	16.019271
"494263"	844.570671	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M-2H+NH4"	16.019271
"866232"	292.203071	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-2H+NH4"	16.019271
"39977"	573.342266	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M-2H+Na"	20.974666
"480631"	849.526066	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M-2H+Na"	20.974666
"851873"	297.158466	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-2H+Na"	20.974666
"1621408"	297.158466	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Na-2H"	20.974666
"96842"	293.164863	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M-H+Cl"	33.962126
"537494"	431.256763	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M-H+Cl"	33.962126
"928334"	155.072963	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-H+Cl"	33.962126
"268472"	587.337002	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+Cl"	34.969402
"661262"	863.520802	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+Cl"	34.969402
"1279135"	311.153202	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Cl"	34.969402
"21692"	589.316206	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M-2H+K"	36.948606
"465263"	865.500006	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M-2H+K"	36.948606
"836138"	313.132406	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-2H+K"	36.948606
"1557803"	313.132406	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+K-2H"	36.948606
"945319"	321.181994	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-H+HCOOH"	44.998194
"364265"	597.365801	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+HCOOH-H"	44.998201
"349975"	611.381451	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+Hac-H"	59.013851
"1497714"	335.197651	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Hac-H"	59.013851
"961245"	343.163951	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-H+NaCOOH"	66.980151
"113791"	311.153202	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+2Cl"	69.938804
"551898"	449.245102	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+2Cl"	69.938804
"1030180"	173.061302	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2Cl"	69.938804
"1250856"	355.102685	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Br"	78.918885
"1312207"	357.158672	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Cl+HCOOH"	80.974872
"1322411"	379.140629	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Cl+NaCOOH"	102.956829
"913108"	389.169386	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M-H+CF3COOH"	112.985586
"1290547"	425.146064	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Cl+CF3COOH"	148.962264
"1376732"	241.171124	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H-2H2O"	-35.012676
"1390948"	259.1811	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H-H2O"	-17.0027
"288448"	553.374876	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+H"	1.007276
"687437"	829.558676	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+H"	1.007276
"1363783"	277.191076	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H"	1.007276
"134483"	277.191076	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+2H"	2.014552
"570763"	415.282976	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+2H"	2.014552
"1045033"	139.099176	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2H"	2.014552
"210020"	185.129809333333	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+3H"	3.021828
"649216"	277.191076	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+3H"	3.021828
"1169527"	93.0685426666667	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+3H"	3.021828
"429519"	570.401423	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+NH4"	18.033823
"788327"	846.585223	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+NH4"	18.033823
"1687944"	294.217623	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+NH4"	18.033823
"336220"	285.7043495	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+H+NH4"	19.041099
"725360"	423.7962495	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+H+NH4"	19.041099
"1482095"	147.6124495	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H+NH4"	19.041099
"398225"	575.356818	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+Na"	22.989218
"763233"	851.540618	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+Na"	22.989218
"1609140"	299.173018	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Na"	22.989218
"321366"	288.182047	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+H+Na"	23.996494
"714881"	426.273947	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+H+Na"	23.996494
"1469806"	150.090147	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H+Na"	23.996494
"1063052"	100.395856666667	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2H+Na"	25.00377
"1268007"	309.217286	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+CH3OH+H"	33.033486
"388768"	591.330758	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+K"	38.963158
"746482"	867.514558	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+K"	38.963158
"1546346"	315.146958	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+K"	38.963158
"300242"	296.169017	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+H+K"	39.970434
"694848"	434.260917	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+H+K"	39.970434
"1451947"	158.077117	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H+K"	39.970434
"240550"	594.401426	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+ACN+H"	42.033826
"1217631"	318.217626	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+ACN+H"	42.033826
"1198234"	159.612451	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+ACN+2H"	43.041102
"197664"	597.33876	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+2Na-H"	44.97116
"631756"	873.52256	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+2Na-H"	44.97116
"1135261"	321.15496	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2Na-H"	44.97116
"176364"	299.173018	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+2Na"	45.978436
"613133"	437.264918	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+2Na"	45.978436
"1115909"	161.081118	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2Na"	45.978436
"1409522"	107.723170666667	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H+2Na"	46.985712
"1439451"	323.196546	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H+HCOOH"	47.012746
"229148"	304.20604	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+3H2O+2H"	56.04448
"1510655"	337.24859	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+IsoProp+H"	61.06479
"413617"	307.159988	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+Na+K"	61.952376
"774611"	445.251888	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+Na+K"	61.952376
"1672037"	169.068088	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Na+K"	61.952376
"255276"	616.383368	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+ACN+Na"	64.015768
"1227990"	340.199568	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+ACN+Na"	64.015768
"1716142"	340.223093	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+NH4+HCOOH"	64.039293
"1180768"	115.050484666667	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+3Na"	68.967654
"1653220"	345.178488	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Na+HCOOH"	68.994688
"160445"	629.28664	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+2K-H"	76.91904
"599641"	905.47044	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+2K-H"	76.91904
"1086340"	353.10284	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2K-H"	76.91904
"143515"	315.146958	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"2M+2K"	77.926316
"587091"	453.238858	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"3M+2K"	77.926316
"1074886"	177.055058	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2K"	77.926316
"1104086"	355.117392	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2K+H"	78.933592
"1344483"	355.205007	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+DMSO+H"	79.021207
"1015202"	359.244176	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2ACN+H"	83.060376
"1531139"	360.237808	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+IsoProp+Na+H"	84.054008
"1000867"	180.125726	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+2ACN+2H"	84.067652
"1592093"	361.152428	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+K+HCOOH"	84.968628
"1418844"	391.183938	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+H+CF3COOH"	115.000138
"1151320"	200.639001	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+3ACN+2H"	125.094202
"1704153"	408.210485	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+NH4+CF3COOH"	132.026685
"1647462"	413.16588	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+Na+CF3COOH"	136.98208
"1579832"	429.13982	"C09856"	"Carolinianine"	"C16H24N2O2"	"276.1838"	"M+K+CF3COOH"	152.95602
"802542"	164.0837	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M"	0
"979356"	145.06531	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"67600"	108.381857333333	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"509347"	163.076424	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"880588"	53.6872906666667	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"3536"	163.076424	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"442000"	245.118274	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"820896"	81.034574	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"80889"	327.160124	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"520203"	491.243824	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"899346"	163.076424	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"53720"	344.186671	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"491094"	508.270371	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"869989"	180.102971	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"36807"	349.142066	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"480741"	513.225766	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"851983"	185.058366	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1619453"	185.058366	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"95859"	181.064763	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"535418"	263.106613	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"928932"	99.022913	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"268946"	363.136802	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"662101"	527.220502	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1279245"	199.053102	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"22895"	365.116006	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"462820"	529.199706	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"837340"	201.032306	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1558640"	201.032306	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"945793"	209.081894	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"362189"	373.165601	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"346435"	387.181251	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1497460"	223.097551	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"962448"	231.063851	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"112079"	199.053102	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"551639"	281.094952	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1028103"	117.011252	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1253879"	243.002585	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1312317"	245.058572	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1322521"	267.040529	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"913218"	277.069286	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1294296"	313.045964	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1371373"	129.071024	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1391058"	147.081	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"291838"	329.174676	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"689004"	493.258376	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1362798"	165.090976	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"132406"	165.090976	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"571965"	247.132826	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1045143"	83.049126	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"211952"	110.396409333333	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"651512"	165.090976	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1168545"	55.7018426666667	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"430722"	346.201223	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"792810"	510.284923	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1690240"	182.117523	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"337423"	173.6042495	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"730936"	255.6460995	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1483663"	91.5623995	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"403436"	351.156618	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"766622"	515.240318	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1610343"	187.072918	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"323662"	176.081947	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"718270"	258.123797	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1474653"	94.040097	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1067898"	63.0291566666667	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1271762"	197.117186	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"388878"	367.130558	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"747684"	531.214258	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1546456"	203.046858	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"300714"	184.068917	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"697143"	266.110767	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1449871"	102.027067	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"238470"	370.201226	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1211300"	206.117526	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1199437"	103.562401	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"194494"	373.13856	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"634052"	537.22226	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1135735"	209.05486	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"175745"	187.072918	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"616036"	269.114768	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1116019"	105.031068	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1409268"	70.3564706666667	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1439561"	211.096446	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"229258"	192.10594	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1514044"	225.14849	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"415914"	195.059888	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"772534"	277.101738	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1672146"	113.018038	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"257573"	392.183168	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1229194"	228.099468	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1716982"	228.122993	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1181608"	77.6837846666667	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1656610"	233.078388	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"162378"	405.08644	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"604124"	569.17014	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1087543"	241.00274	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"142537"	203.046858	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"583921"	285.088708	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1078276"	121.005008	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1104925"	243.017292	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1337298"	243.104907	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1009845"	247.144076	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1527239"	248.137708	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"995510"	124.075676	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1592203"	249.052328	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1416767"	279.083838	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1149242"	144.588951	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1704263"	296.110385	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1647572"	301.06578	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1579942"	317.03972	"C09858"	"Evodone"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"807027"	152.1201	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M"	0
"976187"	133.10171	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"77920"	100.406124	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"516384"	151.112824	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"886168"	49.699424	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"6201"	151.112824	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"447583"	227.172874	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"825383"	75.052774	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"89749"	303.232924	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"530403"	455.353024	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"906020"	151.112824	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"57114"	320.259471	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"496675"	472.379571	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"871194"	168.139371	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"32540"	325.214866	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"475383"	477.334966	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"850999"	173.094766	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1620535"	173.094766	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"95239"	169.101163	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"535528"	245.161213	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"927462"	93.041113	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"267268"	339.209602	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"660995"	491.329702	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1278626"	187.089502	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"21547"	341.188806	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"464023"	493.308906	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"832817"	189.068706	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1556077"	189.068706	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"942787"	197.118294	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"361810"	349.238401	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"345694"	363.254051	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1492739"	211.133951	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"959640"	219.100251	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"110000"	187.089502	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"550108"	263.149552	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1021562"	111.029452	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1247790"	231.038985	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1314615"	233.094972	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1324090"	255.076929	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"914056"	265.105686	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1292586"	301.082364	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1370746"	117.107424	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1383509"	135.1174	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"286110"	305.247476	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"683280"	457.367576	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1358533"	153.127376	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"130327"	153.127376	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"572074"	229.187426	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1043065"	77.067326	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"205498"	102.420676	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"650529"	153.127376	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1171934"	51.713976	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"426822"	322.274023	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"791827"	474.394123	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1687065"	170.153923	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"335345"	161.6406495	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"729223"	237.7006995	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1483773"	85.5805995	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"399174"	327.229418	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"764546"	479.349518	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1606081"	175.109318	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"320493"	164.118347	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"714007"	240.178397	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1473306"	88.058297	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1067644"	59.04129	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1271144"	185.153586	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"388624"	343.203358	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"746701"	495.323458	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1546566"	191.083258	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"300460"	172.105317	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"693974"	248.165367	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1446699"	96.045267	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"239674"	346.274026	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1218945"	194.153926	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1199547"	97.580601	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"196791"	349.21136	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"636349"	501.33146	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1136574"	197.09126	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"176948"	175.109318	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"617236"	251.169368	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1117466"	99.049268	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1407555"	66.368604	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1436391"	199.132846	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"230461"	180.14234	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1513057"	213.18489	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"409583"	183.096288	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"772645"	259.156338	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1670067"	107.036238	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"255497"	368.255968	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1229300"	216.135868	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1716727"	216.159393	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1179897"	73.695918	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1651253"	221.114788	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"163581"	381.15924	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"598763"	533.27934	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1088747"	229.03914	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"143377"	191.083258	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"584031"	267.143308	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1070731"	115.023208	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1101754"	231.053692	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1337408"	231.141307	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1008861"	235.180476	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1526256"	236.174108	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"992339"	118.093876	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1589032"	237.088728	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1420158"	267.120238	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1150446"	138.607151	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1701093"	284.146785	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1647682"	289.10218	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1580052"	305.07612	"C09859"	"Fenchone;(1R4S)-(-)-Fenchone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"807137"	262.2045	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M"	0
"978483"	243.18611	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-H2O-H"	-19.01839
"73288"	173.795724	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M-3H"	-3.021828
"517951"	261.197224	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M-3H"	-3.021828
"889557"	86.394224	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-3H"	-3.021828
"7039"	261.197224	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M-2H"	-2.014552
"446599"	392.299474	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M-2H"	-2.014552
"822213"	130.094974	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-2H"	-2.014552
"79651"	523.401724	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M-H"	-1.007276
"525045"	785.606224	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M-H"	-1.007276
"898837"	261.197224	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-H"	-1.007276
"55036"	540.428271	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M-2H+NH4"	16.019271
"491315"	802.632771	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M-2H+NH4"	16.019271
"868023"	278.223771	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-2H+NH4"	16.019271
"33743"	545.383666	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M-2H+Na"	20.974666
"475493"	807.588166	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M-2H+Na"	20.974666
"850258"	283.179166	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-2H+Na"	20.974666
"1619551"	283.179166	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Na-2H"	20.974666
"94659"	279.185563	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M-H+Cl"	33.962126
"535028"	410.287813	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M-H+Cl"	33.962126
"928423"	148.083313	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-H+Cl"	33.962126
"268190"	559.378402	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+Cl"	34.969402
"661592"	821.582902	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+Cl"	34.969402
"1278371"	297.173902	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Cl"	34.969402
"24575"	561.357606	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M-2H+K"	36.948606
"464500"	823.562106	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M-2H+K"	36.948606
"834280"	299.153106	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-2H+K"	36.948606
"1557039"	299.153106	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+K-2H"	36.948606
"943180"	307.202694	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-H+HCOOH"	44.998194
"363503"	569.407201	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+HCOOH-H"	44.998201
"349939"	583.422851	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+Hac-H"	59.013851
"1498772"	321.218351	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Hac-H"	59.013851
"959628"	329.184651	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-H+NaCOOH"	66.980151
"110598"	297.173902	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+2Cl"	69.938804
"551499"	428.276152	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+2Cl"	69.938804
"1021633"	166.071652	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2Cl"	69.938804
"1246077"	341.123385	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Br"	78.918885
"1312538"	343.179372	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Cl+HCOOH"	80.974872
"1328940"	365.161329	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Cl+NaCOOH"	102.956829
"918904"	375.190086	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M-H+CF3COOH"	112.985586
"1295613"	411.166764	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Cl+CF3COOH"	148.962264
"1369398"	227.191824	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H-2H2O"	-35.012676
"1385076"	245.2018	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H-H2O"	-17.0027
"284398"	525.416276	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+H"	1.007276
"684483"	787.620776	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+H"	1.007276
"1358643"	263.211776	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H"	1.007276
"130437"	263.211776	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+2H"	2.014552
"571091"	394.314026	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+2H"	2.014552
"1043174"	132.109526	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2H"	2.014552
"209251"	175.810276	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+3H"	3.021828
"649543"	263.211776	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+3H"	3.021828
"1165480"	88.408776	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+3H"	3.021828
"428754"	542.442823	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+NH4"	18.033823
"795216"	804.647323	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+NH4"	18.033823
"1686081"	280.238323	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+NH4"	18.033823
"334726"	271.7250495	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+H+NH4"	19.041099
"730061"	402.8272995	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+H+NH4"	19.041099
"1483882"	140.6227995	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H+NH4"	19.041099
"399284"	547.398218	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+Na"	22.989218
"760282"	809.602718	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+Na"	22.989218
"1608377"	285.193718	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Na"	22.989218
"321692"	274.202747	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+H+Na"	23.996494
"714116"	405.304997	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+H+Na"	23.996494
"1467939"	143.100497	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H+Na"	23.996494
"1060097"	95.73609	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2H+Na"	25.00377
"1271253"	295.237986	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+CH3OH+H"	33.033486
"388734"	563.372158	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+K"	38.963158
"745717"	825.576658	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+K"	38.963158
"1543396"	301.167658	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+K"	38.963158
"300931"	282.189717	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+H+K"	39.970434
"693353"	413.291967	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+H+K"	39.970434
"1447289"	151.087467	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H+K"	39.970434
"236746"	566.442826	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+ACN+H"	42.033826
"1217960"	304.238326	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+ACN+H"	42.033826
"1198565"	152.622801	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+ACN+2H"	43.041102
"192527"	569.38016	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+2Na-H"	44.97116
"632087"	831.58466	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+2Na-H"	44.97116
"1134498"	307.17566	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2Na-H"	44.97116
"175966"	285.193718	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+2Na"	45.978436
"616253"	416.295968	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+2Na"	45.978436
"1118670"	154.091468	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2Na"	45.978436
"1406572"	103.063404	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H+2Na"	46.985712
"1436501"	309.217246	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H+HCOOH"	47.012746
"230571"	290.22674	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+3H2O+2H"	56.04448
"1514264"	323.26929	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+IsoProp+H"	61.06479
"413950"	293.180688	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+Na+K"	61.952376
"773849"	424.282938	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+Na+K"	61.952376
"1670180"	162.078438	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Na+K"	61.952376
"255242"	588.424768	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+ACN+Na"	64.015768
"1230507"	326.220268	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+ACN+Na"	64.015768
"1716474"	326.243793	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+NH4+HCOOH"	64.039293
"1182561"	110.390718	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+3Na"	68.967654
"1653550"	331.199188	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Na+HCOOH"	68.994688
"163691"	601.32804	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+2K-H"	76.91904
"598630"	863.53254	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+2K-H"	76.91904
"1091044"	339.12354	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2K-H"	76.91904
"146767"	301.167658	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"2M+2K"	77.926316
"585598"	432.269908	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"3M+2K"	77.926316
"1076308"	170.065408	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2K"	77.926316
"1102957"	341.138092	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2K+H"	78.933592
"1338247"	341.225707	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+DMSO+H"	79.021207
"1012250"	345.264876	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2ACN+H"	83.060376
"1528188"	346.258508	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+IsoProp+Na+H"	84.054008
"991356"	173.136076	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+2ACN+2H"	84.067652
"1594609"	347.173128	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+K+HCOOH"	84.968628
"1421361"	377.204638	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+H+CF3COOH"	115.000138
"1150556"	193.649351	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+3ACN+2H"	125.094202
"1704482"	394.231185	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+NH4+CF3COOH"	132.026685
"1647793"	399.18658	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+Na+CF3COOH"	136.98208
"1580162"	415.16052	"C09860"	"Cernuine"	"C16H26N2O"	"262.2045"	"M+K+CF3COOH"	152.95602
"801444"	196.1463	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M"	0
"977500"	177.12791	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"72305"	129.756924	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"508584"	195.139024	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"887481"	64.374824	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"4961"	195.139024	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"441605"	293.212174	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"825603"	97.065874	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"79234"	391.285324	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"522965"	587.431624	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"898583"	195.139024	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"48585"	408.311871	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"491424"	604.458171	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"867040"	212.165571	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"37132"	413.267266	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"474510"	609.413566	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"850368"	217.120966	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1619780"	217.120966	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"94521"	213.127363	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"535381"	311.200513	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"927431"	115.054213	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"267322"	427.262002	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"662431"	623.408302	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1278481"	231.115702	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"20309"	429.241206	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"464243"	625.387506	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"835848"	233.094906	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1558243"	233.094906	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"943208"	241.144494	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"363613"	437.290801	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"350049"	451.306451	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1497058"	255.160151	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"959495"	263.126451	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"110505"	231.115702	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"550264"	329.188852	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1021662"	133.042552	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1246916"	275.065185	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1315928"	277.121172	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1330143"	299.103129	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"919017"	309.131886	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1297912"	345.108564	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1370966"	161.133624	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1384089"	179.1436	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"285604"	393.299876	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"682406"	589.446176	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1356930"	197.153576	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"131640"	197.153576	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"572294"	295.226726	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1041098"	99.080426	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"210090"	131.771476	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"649653"	197.153576	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1165590"	66.389376	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"429957"	410.326423	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"789858"	606.472723	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1687283"	214.180123	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"335562"	205.6668495	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"727984"	303.7399995	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1477911"	107.5936995	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"400487"	415.281818	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"763672"	611.428118	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1608488"	219.135518	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"320709"	208.144547	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"714226"	306.217697	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1468049"	110.071397	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1060207"	73.71669	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1269541"	229.179786	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"389208"	431.255758	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"750931"	627.402058	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1543507"	235.109458	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"302867"	216.131517	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"694194"	314.204667	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1448014"	118.058367	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"240989"	434.326426	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1214790"	238.180126	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1199768"	119.593701	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"193732"	437.26376	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"631833"	633.41006	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1136795"	241.11746	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"177899"	219.135518	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"616364"	317.208668	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1117808"	121.062368	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1406682"	81.044004	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1438798"	243.159046	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"231411"	224.16854	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1513281"	257.21109	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"414060"	227.122488	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"775053"	325.195638	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1671383"	129.049338	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"260088"	456.308368	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1231710"	260.162068	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1719499"	260.185593	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1183764"	88.371318	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1653660"	265.140988	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"160521"	469.21164	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"599714"	665.35794	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1092247"	273.06534	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"149064"	235.109458	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"584615"	333.182608	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1070947"	137.036308	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1103064"	275.079892	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1337992"	275.167507	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1012360"	279.206676	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1528298"	280.200308	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"995840"	140.106976	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1594719"	281.114928	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1420378"	311.146438	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1153946"	160.620251	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1705685"	328.172985	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1646810"	333.12838	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1580272"	349.10232	"C09861"	"Geranyl acetate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"807357"	245.178	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M"	0
"979796"	226.15961	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-H2O-H"	-19.01839
"77646"	162.444724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M-3H"	-3.021828
"507601"	244.170724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M-3H"	-3.021828
"893060"	80.718724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-3H"	-3.021828
"9446"	244.170724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M-2H"	-2.014552
"441351"	366.759724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M-2H"	-2.014552
"825713"	121.581724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-2H"	-2.014552
"79506"	489.348724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M-H"	-1.007276
"521253"	734.526724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M-H"	-1.007276
"898693"	244.170724	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-H"	-1.007276
"50882"	506.375271	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M-2H+NH4"	16.019271
"490441"	751.553271	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M-2H+NH4"	16.019271
"868244"	261.197271	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-2H+NH4"	16.019271
"31562"	511.330666	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M-2H+Na"	20.974666
"474620"	756.508666	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M-2H+Na"	20.974666
"853515"	266.152666	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-2H+Na"	20.974666
"1621959"	266.152666	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Na-2H"	20.974666
"100673"	262.159063	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M-H+Cl"	33.962126
"535859"	384.748063	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M-H+Cl"	33.962126
"928034"	139.570063	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-H+Cl"	33.962126
"268536"	525.325402	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+Cl"	34.969402
"664728"	770.503402	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+Cl"	34.969402
"1285883"	280.147402	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Cl"	34.969402
"21878"	527.304606	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M-2H+K"	36.948606
"463625"	772.482606	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M-2H+K"	36.948606
"842521"	282.126606	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-2H+K"	36.948606
"1560175"	282.126606	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+K-2H"	36.948606
"947332"	290.176194	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-H+HCOOH"	44.998194
"367735"	535.354201	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+HCOOH-H"	44.998201
"351620"	549.369851	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+Hac-H"	59.013851
"1497171"	304.191851	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Hac-H"	59.013851
"960702"	312.158151	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-H+NaCOOH"	66.980151
"110260"	280.147402	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+2Cl"	69.938804
"550982"	402.736402	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+2Cl"	69.938804
"1021607"	157.558402	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2Cl"	69.938804
"1248120"	324.096885	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Br"	78.918885
"1316039"	326.152872	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Cl+HCOOH"	80.974872
"1332806"	348.134829	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Cl+NaCOOH"	102.956829
"918034"	358.163586	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M-H+CF3COOH"	112.985586
"1294742"	394.140264	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Cl+CF3COOH"	148.962264
"1369253"	210.165324	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H-2H2O"	-35.012676
"1383836"	228.1753	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H-H2O"	-17.0027
"284621"	491.363276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+H"	1.007276
"684702"	736.541276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+H"	1.007276
"1355582"	246.185276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H"	1.007276
"137218"	246.185276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+2H"	2.014552
"574591"	368.774276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+2H"	2.014552
"1044487"	123.596276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2H"	2.014552
"209109"	164.459276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+3H"	3.021828
"649763"	246.185276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+3H"	3.021828
"1168981"	82.733276	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+3H"	3.021828
"428973"	508.389823	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+NH4"	18.033823
"789968"	753.567823	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+NH4"	18.033823
"1685570"	263.211823	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+NH4"	18.033823
"332390"	254.6985495	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+H+NH4"	19.041099
"727365"	377.2875495	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+H+NH4"	19.041099
"1477088"	132.1095495	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H+NH4"	19.041099
"399505"	513.345218	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+Na"	22.989218
"761597"	758.523218	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+Na"	22.989218
"1610784"	268.167218	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Na"	22.989218
"321914"	257.176247	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+H+Na"	23.996494
"715429"	379.765247	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+H+Na"	23.996494
"1468159"	134.587247	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H+Na"	23.996494
"1061412"	90.06059	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2H+Na"	25.00377
"1269650"	278.211486	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+CH3OH+H"	33.033486
"388953"	529.319158	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+K"	38.963158
"744845"	774.497158	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+K"	38.963158
"1543616"	284.141158	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+K"	38.963158
"302977"	265.163217	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+H+K"	39.970434
"695397"	387.752217	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+H+K"	39.970434
"1449218"	142.574217	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H+K"	39.970434
"236725"	532.389826	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+ACN+H"	42.033826
"1212714"	287.211826	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+ACN+H"	42.033826
"1198784"	144.109551	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+ACN+2H"	43.041102
"190561"	535.32716	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+2Na-H"	44.97116
"635589"	780.50516	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+2Na-H"	44.97116
"1133749"	290.14916	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2Na-H"	44.97116
"173635"	268.167218	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+2Na"	45.978436
"615383"	390.756218	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+2Na"	45.978436
"1116824"	145.578218	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2Na"	45.978436
"1409708"	97.387904	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H+2Na"	46.985712
"1438908"	292.190746	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H+HCOOH"	47.012746
"229699"	273.20024	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+3H2O+2H"	56.04448
"1516672"	306.24279	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+IsoProp+H"	61.06479
"418544"	276.154188	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+Na+K"	61.952376
"777352"	398.743188	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+Na+K"	61.952376
"1667851"	153.565188	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Na+K"	61.952376
"255463"	554.371768	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+ACN+Na"	64.015768
"1229264"	309.193768	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+ACN+Na"	64.015768
"1717426"	309.217293	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+NH4+HCOOH"	64.039293
"1187156"	104.715218	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+3Na"	68.967654
"1655956"	314.172688	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Na+HCOOH"	68.994688
"161724"	567.27504	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+2K-H"	76.91904
"602378"	812.45304	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+2K-H"	76.91904
"1087983"	322.09704	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2K-H"	76.91904
"152455"	284.141158	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"2M+2K"	77.926316
"593109"	406.730158	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"3M+2K"	77.926316
"1072154"	161.552158	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2K"	77.926316
"1104269"	324.111592	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2K+H"	78.933592
"1337375"	324.199207	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+DMSO+H"	79.021207
"1013564"	328.238376	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2ACN+H"	83.060376
"1529503"	329.232008	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+IsoProp+Na+H"	84.054008
"998138"	164.622826	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+2ACN+2H"	84.067652
"1595923"	330.146628	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+K+HCOOH"	84.968628
"1418301"	360.178138	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+H+CF3COOH"	115.000138
"1154056"	185.136101	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+3ACN+2H"	125.094202
"1702515"	377.204685	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+NH4+CF3COOH"	132.026685
"1649676"	382.16008	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+Na+CF3COOH"	136.98208
"1580382"	398.13402	"C09862"	"Fawcettidine"	"C16H23NO"	"245.178"	"M+K+CF3COOH"	152.95602
"801750"	196.1463	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M"	0
"977720"	177.12791	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"72525"	129.756924	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"506618"	195.139024	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"888797"	64.374824	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"4090"	195.139024	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"444743"	293.212174	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"819264"	97.065874	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"78758"	391.285324	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"521000"	587.431624	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"897706"	195.139024	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"48796"	408.311871	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"488361"	604.458171	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"866526"	212.165571	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"31435"	413.267266	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"472784"	609.413566	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"851437"	217.120966	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1622069"	217.120966	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"98596"	213.127363	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"534753"	311.200513	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"927129"	115.054213	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"267461"	427.262002	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"663745"	623.408302	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1279429"	231.115702	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"27456"	429.241206	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"462642"	625.387506	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"842631"	233.094906	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1559557"	233.094906	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"951818"	241.144494	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"367845"	437.290801	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"358293"	451.306451	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1503843"	255.160151	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"965916"	263.126451	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"114823"	231.115702	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"551465"	329.188852	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1021431"	133.042552	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1248230"	275.065185	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1316149"	277.121172	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1332551"	299.103129	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"921427"	309.131886	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1299227"	345.108564	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1370458"	161.133624	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1385040"	179.1436	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"288011"	393.299876	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"684812"	589.446176	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1357879"	197.153576	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"138423"	197.153576	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"577618"	295.226726	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1043504"	99.080426	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"210312"	131.771476	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"651334"	197.153576	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1170184"	66.389376	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"429084"	410.326423	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"790442"	606.472723	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1684949"	214.180123	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"330554"	205.6668495	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"722966"	303.7399995	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1477358"	107.5936995	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"399615"	415.281818	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"761709"	611.428118	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1607617"	219.135518	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"320932"	208.144547	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"714446"	306.217697	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1465716"	110.071397	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1062614"	73.71669	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1267576"	229.179786	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"389428"	431.255758	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"741676"	627.402058	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1540568"	235.109458	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"303088"	216.131517	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"695509"	314.204667	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1450423"	118.058367	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"236228"	434.326426	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1209913"	238.180126	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1194268"	119.593701	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"190302"	437.26376	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"628850"	633.41006	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1131664"	241.11746	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"173579"	219.135518	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"613054"	317.208668	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1116202"	121.062368	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1407996"	81.044004	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1437926"	243.159046	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"228716"	224.16854	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1517875"	257.21109	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"416467"	227.122488	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"775275"	325.195638	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1667233"	129.049338	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"253022"	456.308368	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1228281"	260.162068	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1714255"	260.185593	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1182892"	88.371318	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1656066"	265.140988	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"159648"	469.21164	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"604676"	665.35794	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1090281"	273.06534	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"150378"	235.109458	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"587752"	333.182608	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1071171"	137.036308	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1104379"	275.079892	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1337485"	275.167507	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1010394"	279.206676	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1537268"	280.200308	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"994968"	140.106976	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1599314"	281.114928	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1424972"	311.146438	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1154166"	160.620251	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1704812"	328.172985	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1645936"	333.12838	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1580492"	349.10232	"C09863"	"Linalyl acetate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"802837"	263.1885	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M"	0
"978923"	244.17011	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-H2O-H"	-19.01839
"64972"	174.451724	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M-3H"	-3.021828
"505633"	262.181224	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M-3H"	-3.021828
"888907"	86.722224	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-3H"	-3.021828
"7480"	262.181224	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M-2H"	-2.014552
"448133"	393.775474	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M-2H"	-2.014552
"819374"	130.586974	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-2H"	-2.014552
"79358"	525.369724	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M-H"	-1.007276
"519650"	788.558224	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M-H"	-1.007276
"901094"	262.181224	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-H"	-1.007276
"49999"	542.396271	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M-2H+NH4"	16.019271
"489564"	805.584771	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M-2H+NH4"	16.019271
"866391"	279.207771	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-2H+NH4"	16.019271
"36369"	547.351666	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M-2H+Na"	20.974666
"475933"	810.540166	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M-2H+Na"	20.974666
"852642"	284.163166	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-2H+Na"	20.974666
"1627648"	284.163166	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Na-2H"	20.974666
"101987"	280.169563	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M-H+Cl"	33.962126
"534621"	411.763813	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M-H+Cl"	33.962126
"927124"	148.575313	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-H+Cl"	33.962126
"267451"	561.346402	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+Cl"	34.969402
"662760"	824.534902	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+Cl"	34.969402
"1279539"	298.157902	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Cl"	34.969402
"28659"	563.325606	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M-2H+K"	36.948606
"462752"	826.514106	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M-2H+K"	36.948606
"842741"	300.137106	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-2H+K"	36.948606
"1559666"	300.137106	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+K-2H"	36.948606
"950835"	308.186694	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-H+HCOOH"	44.998194
"366862"	571.375201	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+HCOOH-H"	44.998201
"356215"	585.390851	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+Hac-H"	59.013851
"1503589"	322.202351	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Hac-H"	59.013851
"966027"	330.168651	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-H+NaCOOH"	66.980151
"116026"	298.157902	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+2Cl"	69.938804
"551575"	429.752152	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+2Cl"	69.938804
"1022196"	166.563652	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2Cl"	69.938804
"1245424"	342.107385	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Br"	78.918885
"1315166"	344.163372	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Cl+HCOOH"	80.974872
"1329381"	366.145329	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Cl+NaCOOH"	102.956829
"916063"	376.174086	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M-H+CF3COOH"	112.985586
"1301159"	412.150764	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Cl+CF3COOH"	148.962264
"1373124"	228.175824	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H-2H2O"	-35.012676
"1386247"	246.1858	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H-H2O"	-17.0027
"290308"	527.384276	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+H"	1.007276
"680548"	790.572776	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+H"	1.007276
"1360176"	264.195776	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H"	1.007276
"139626"	264.195776	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+2H"	2.014552
"569345"	395.790026	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+2H"	2.014552
"1042521"	132.601526	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2H"	2.014552
"211515"	176.466276	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+3H"	3.021828
"652173"	264.195776	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+3H"	3.021828
"1169202"	88.736776	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+3H"	3.021828
"429559"	544.410823	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+NH4"	18.033823
"790188"	807.599323	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+NH4"	18.033823
"1683237"	281.222323	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+NH4"	18.033823
"330544"	272.7090495	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+H+NH4"	19.041099
"722961"	404.3032995	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+H+NH4"	19.041099
"1477075"	141.1147995	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H+NH4"	19.041099
"401911"	549.366218	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+Na"	22.989218
"761818"	812.554718	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+Na"	22.989218
"1609913"	286.177718	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Na"	22.989218
"319948"	275.186747	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+H+Na"	23.996494
"713462"	406.780997	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+H+Na"	23.996494
"1466191"	143.592497	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H+Na"	23.996494
"1061632"	96.06409	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2H+Na"	25.00377
"1268415"	296.221986	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+CH3OH+H"	33.033486
"388445"	565.340158	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+K"	38.963158
"742879"	828.528658	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+K"	38.963158
"1544930"	302.151658	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+K"	38.963158
"302104"	283.173717	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+H+K"	39.970434
"692335"	414.767967	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+H+K"	39.970434
"1450533"	151.579467	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H+K"	39.970434
"238040"	568.410826	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+ACN+H"	42.033826
"1209970"	305.222326	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+ACN+H"	42.033826
"1194623"	153.114801	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+ACN+2H"	43.041102
"189197"	571.34816	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+2Na-H"	44.97116
"630703"	834.53666	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+2Na-H"	44.97116
"1132752"	308.15966	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2Na-H"	44.97116
"173854"	286.177718	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+2Na"	45.978436
"613207"	417.771968	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+2Na"	45.978436
"1117044"	154.583468	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2Na"	45.978436
"1405921"	103.391404	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H+2Na"	46.985712
"1440226"	310.201246	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H+HCOOH"	47.012746
"235401"	291.21074	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+3H2O+2H"	56.04448
"1519080"	324.25329	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+IsoProp+H"	61.06479
"416578"	294.164688	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+Na+K"	61.952376
"781582"	425.758938	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+Na+K"	61.952376
"1672810"	162.570438	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Na+K"	61.952376
"256048"	590.392768	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+ACN+Na"	64.015768
"1228028"	327.204268	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+ACN+Na"	64.015768
"1715457"	327.227793	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+NH4+HCOOH"	64.039293
"1185189"	110.718718	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+3Na"	68.967654
"1656176"	332.183188	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Na+HCOOH"	68.994688
"165225"	603.29604	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+2K-H"	76.91904
"604785"	866.48454	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+2K-H"	76.91904
"1086018"	340.10754	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2K-H"	76.91904
"147208"	302.151658	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"2M+2K"	77.926316
"585674"	433.745908	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"3M+2K"	77.926316
"1072375"	170.557408	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2K"	77.926316
"1104490"	342.122092	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2K+H"	78.933592
"1339781"	342.209707	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+DMSO+H"	79.021207
"1017066"	346.248876	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2ACN+H"	83.060376
"1537016"	347.242508	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+IsoProp+Na+H"	84.054008
"996171"	173.628076	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+2ACN+2H"	84.067652
"1590674"	348.157128	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+K+HCOOH"	84.968628
"1425082"	378.188638	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+H+CF3COOH"	115.000138
"1153183"	194.141351	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+3ACN+2H"	125.094202
"1699454"	395.215185	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+NH4+CF3COOH"	132.026685
"1646046"	400.17058	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+Na+CF3COOH"	136.98208
"1580602"	416.14452	"C09864"	"Fawcettimine"	"C16H25NO2"	"263.1885"	"M+K+CF3COOH"	152.95602
"802340"	288.2202	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M"	0
"975265"	269.20181	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-H2O-H"	-19.01839
"63989"	191.139524	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M-3H"	-3.021828
"505737"	287.212924	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M-3H"	-3.021828
"883539"	95.066124	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-3H"	-3.021828
"6497"	287.212924	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M-2H"	-2.014552
"441681"	431.323024	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M-2H"	-2.014552
"819484"	143.102824	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-2H"	-2.014552
"79470"	575.433124	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M-H"	-1.007276
"523403"	863.653324	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M-H"	-1.007276
"899141"	287.212924	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-H"	-1.007276
"51207"	592.459671	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M-2H+NH4"	16.019271
"492954"	880.679871	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M-2H+NH4"	16.019271
"867111"	304.239471	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-2H+NH4"	16.019271
"33562"	597.415066	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M-2H+Na"	20.974666
"476043"	885.635266	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M-2H+Na"	20.974666
"854938"	309.194866	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-2H+Na"	20.974666
"1627758"	309.194866	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Na-2H"	20.974666
"102097"	305.201263	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M-H+Cl"	33.962126
"534973"	449.311363	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M-H+Cl"	33.962126
"927990"	161.091163	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-H+Cl"	33.962126
"268128"	611.409802	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+Cl"	34.969402
"660669"	899.630002	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+Cl"	34.969402
"1278556"	323.189602	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Cl"	34.969402
"27676"	613.389006	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M-2H+K"	36.948606
"463955"	901.609206	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M-2H+K"	36.948606
"840664"	325.168806	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-2H+K"	36.948606
"1559047"	325.168806	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+K-2H"	36.948606
"945110"	333.218394	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-H+HCOOH"	44.998194
"362962"	621.438601	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+HCOOH-H"	44.998201
"346188"	635.454251	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+Hac-H"	59.013851
"1494570"	347.234051	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Hac-H"	59.013851
"959442"	355.200351	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-H+NaCOOH"	66.980151
"110537"	323.189602	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+2Cl"	69.938804
"550583"	467.299702	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+2Cl"	69.938804
"1021729"	179.079502	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2Cl"	69.938804
"1241793"	367.139085	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Br"	78.918885
"1306887"	369.195072	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Cl+HCOOH"	80.974872
"1321102"	391.177029	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Cl+NaCOOH"	102.956829
"914349"	401.205786	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M-H+CF3COOH"	112.985586
"1302726"	437.182464	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Cl+CF3COOH"	148.962264
"1375422"	253.207524	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H-2H2O"	-35.012676
"1387450"	271.2175	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H-H2O"	-17.0027
"289325"	577.447676	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+H"	1.007276
"681752"	865.667876	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+H"	1.007276
"1357006"	289.227476	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H"	1.007276
"140464"	289.227476	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+2H"	2.014552
"567996"	433.337576	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+2H"	2.014552
"1045910"	145.117376	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2H"	2.014552
"215997"	193.154076	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+3H"	3.021828
"652647"	289.227476	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+3H"	3.021828
"1169312"	97.080676	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+3H"	3.021828
"427847"	594.474223	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+NH4"	18.033823
"790298"	882.694423	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+NH4"	18.033823
"1683347"	306.254023	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+NH4"	18.033823
"330898"	297.7407495	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+H+NH4"	19.041099
"723070"	441.8508495	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+H+NH4"	19.041099
"1477620"	153.6306495	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H+NH4"	19.041099
"400928"	599.429618	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+Na"	22.989218
"763021"	887.649818	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+Na"	22.989218
"1608930"	311.209418	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Na"	22.989218
"320058"	300.218447	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+H+Na"	23.996494
"713572"	444.328547	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+H+Na"	23.996494
"1466301"	156.108347	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H+Na"	23.996494
"1062835"	104.40799	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2H+Na"	25.00377
"1268889"	321.253686	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+CH3OH+H"	33.033486
"387462"	615.403558	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+K"	38.963158
"745177"	903.623758	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+K"	38.963158
"1543948"	327.183358	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+K"	38.963158
"302217"	308.205417	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+H+K"	39.970434
"696822"	452.315517	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+H+K"	39.970434
"1447363"	164.095317	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H+K"	39.970434
"237055"	618.474226	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+ACN+H"	42.033826
"1210014"	330.254026	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+ACN+H"	42.033826
"1194614"	165.630651	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+ACN+2H"	43.041102
"191981"	621.41156	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+2Na-H"	44.97116
"630446"	909.63176	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+2Na-H"	44.97116
"1132861"	333.19136	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2Na-H"	44.97116
"173231"	311.209418	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+2Na"	45.978436
"613759"	455.319518	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+2Na"	45.978436
"1115814"	167.099318	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2Na"	45.978436
"1404938"	111.735304	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H+2Na"	46.985712
"1440336"	335.232946	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H+HCOOH"	47.012746
"233922"	316.24244	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+3H2O+2H"	56.04448
"1515908"	349.28499	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+IsoProp+H"	61.06479
"417780"	319.196388	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+Na+K"	61.952376
"778775"	463.306488	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+Na+K"	61.952376
"1670731"	175.086288	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Na+K"	61.952376
"257251"	640.456168	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+ACN+Na"	64.015768
"1231053"	352.235968	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+ACN+Na"	64.015768
"1719939"	352.259493	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+NH4+HCOOH"	64.039293
"1186386"	119.062618	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+3Na"	68.967654
"1656286"	357.214888	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Na+HCOOH"	68.994688
"162053"	653.35944	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+2K-H"	76.91904
"602706"	941.57964	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+2K-H"	76.91904
"1093781"	365.13924	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2K-H"	76.91904
"150598"	327.183358	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"2M+2K"	77.926316
"590158"	471.293458	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"3M+2K"	77.926316
"1071390"	183.073258	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2K"	77.926316
"1103506"	367.153792	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2K+H"	78.933592
"1337335"	367.241407	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+DMSO+H"	79.021207
"1010614"	371.280576	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2ACN+H"	83.060376
"1532020"	372.274208	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+IsoProp+Na+H"	84.054008
"993001"	186.143926	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+2ACN+2H"	84.067652
"1591877"	373.188828	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+K+HCOOH"	84.968628
"1421912"	403.220338	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+H+CF3COOH"	115.000138
"1147947"	206.657201	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+3ACN+2H"	125.094202
"1699564"	420.246885	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+NH4+CF3COOH"	132.026685
"1646156"	425.20228	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+Na+CF3COOH"	136.98208
"1580712"	441.17622	"C09865"	"Flabellidine"	"C18H28N2O"	"288.2202"	"M+K+CF3COOH"	152.95602
"801626"	256.1576	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M"	0
"975133"	237.13921	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-H2O-H"	-19.01839
"64829"	169.764457333333	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M-3H"	-3.021828
"505117"	255.150324	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M-3H"	-3.021828
"882555"	84.3785906666667	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-3H"	-3.021828
"7701"	255.150324	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M-2H"	-2.014552
"441062"	383.229124	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M-2H"	-2.014552
"820687"	127.071524	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-2H"	-2.014552
"82861"	511.307924	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M-H"	-1.007276
"524607"	767.465524	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M-H"	-1.007276
"907876"	255.150324	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-H"	-1.007276
"55690"	528.334471	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M-2H+NH4"	16.019271
"494158"	784.492071	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M-2H+NH4"	16.019271
"869044"	272.176871	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-2H+NH4"	16.019271
"33430"	533.289866	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M-2H+Na"	20.974666
"476153"	789.447466	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M-2H+Na"	20.974666
"852862"	277.132266	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-2H+Na"	20.974666
"1622397"	277.132266	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Na-2H"	20.974666
"101114"	273.138663	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M-H+Cl"	33.962126
"535325"	401.217463	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M-H+Cl"	33.962126
"927859"	145.059863	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-H+Cl"	33.962126
"267873"	547.284602	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+Cl"	34.969402
"660419"	803.442202	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+Cl"	34.969402
"1275750"	291.127002	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Cl"	34.969402
"26691"	549.263806	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M-2H+K"	36.948606
"464064"	805.421406	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M-2H+K"	36.948606
"840774"	293.106206	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-2H+K"	36.948606
"1559885"	293.106206	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+K-2H"	36.948606
"945948"	301.155794	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-H+HCOOH"	44.998194
"363802"	557.313401	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+HCOOH-H"	44.998201
"346942"	571.329051	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+Hac-H"	59.013851
"1494559"	315.171451	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Hac-H"	59.013851
"960401"	323.137751	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-H+NaCOOH"	66.980151
"111739"	291.127002	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+2Cl"	69.938804
"552875"	419.205802	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+2Cl"	69.938804
"1021681"	163.048202	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2Cl"	69.938804
"1241541"	335.076485	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Br"	78.918885
"1307726"	337.132472	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Cl+HCOOH"	80.974872
"1320602"	359.114429	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Cl+NaCOOH"	102.956829
"914095"	369.143186	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M-H+CF3COOH"	112.985586
"1300650"	405.119864	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Cl+CF3COOH"	148.962264
"1377719"	221.144924	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H-2H2O"	-35.012676
"1386467"	239.1549	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H-H2O"	-17.0027
"292715"	513.322476	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+H"	1.007276
"686238"	769.480076	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+H"	1.007276
"1361491"	257.164876	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H"	1.007276
"138752"	257.164876	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+2H"	2.014552
"570659"	385.243676	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+2H"	2.014552
"1040555"	129.086076	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2H"	2.014552
"207723"	171.779009333333	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+3H"	3.021828
"649842"	257.164876	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+3H"	3.021828
"1165413"	86.3931426666667	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+3H"	3.021828
"426500"	530.349023	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+NH4"	18.033823
"789315"	786.506623	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+NH4"	18.033823
"1682364"	274.191423	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+NH4"	18.033823
"331372"	265.6781495	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+H+NH4"	19.041099
"724157"	393.7569495	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+H+NH4"	19.041099
"1480167"	137.5993495	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H+NH4"	19.041099
"399947"	535.304418	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+Na"	22.989218
"762039"	791.462018	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+Na"	22.989218
"1610136"	279.146818	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Na"	22.989218
"319078"	268.155847	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+H+Na"	23.996494
"714775"	396.234647	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+H+Na"	23.996494
"1465321"	140.077047	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H+Na"	23.996494
"1064038"	93.7204566666667	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2H+Na"	25.00377
"1268275"	289.191086	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+CH3OH+H"	33.033486
"389031"	551.278358	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+K"	38.963158
"748567"	807.435958	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+K"	38.963158
"1547338"	295.120758	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+K"	38.963158
"303420"	276.142817	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+H+K"	39.970434
"696932"	404.221617	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+H+K"	39.970434
"1448565"	148.064017	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H+K"	39.970434
"237530"	554.349026	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+ACN+H"	42.033826
"1211207"	298.191426	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+ACN+H"	42.033826
"1198127"	149.599351	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+ACN+2H"	43.041102
"192091"	557.28636	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+2Na-H"	44.97116
"631285"	813.44396	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+2Na-H"	44.97116
"1132241"	301.12876	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2Na-H"	44.97116
"174560"	279.146818	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+2Na"	45.978436
"613511"	407.225618	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+2Na"	45.978436
"1117505"	151.068018	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2Na"	45.978436
"1405048"	101.047770666667	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H+2Na"	46.985712
"1438259"	303.170346	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H+HCOOH"	47.012746
"231965"	284.17984	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+3H2O+2H"	56.04448
"1518205"	317.22239	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+IsoProp+H"	61.06479
"418983"	287.133788	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+Na+K"	61.952376
"776698"	415.212588	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+Na+K"	61.952376
"1669747"	159.054988	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Na+K"	61.952376
"256267"	576.330968	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+ACN+Na"	64.015768
"1231163"	320.173368	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+ACN+Na"	64.015768
"1717862"	320.196893	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+NH4+HCOOH"	64.039293
"1185403"	108.375084666667	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+3Na"	68.967654
"1655294"	325.152288	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Na+HCOOH"	68.994688
"161066"	589.23424	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+2K-H"	76.91904
"599900"	845.39184	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+2K-H"	76.91904
"1087330"	333.07664	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2K-H"	76.91904
"145240"	295.120758	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"2M+2K"	77.926316
"584801"	423.199558	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"3M+2K"	77.926316
"1070041"	167.041958	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2K"	77.926316
"1104710"	335.091192	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2K+H"	78.933592
"1340000"	335.178807	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+DMSO+H"	79.021207
"1007442"	339.217976	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2ACN+H"	83.060376
"1532130"	340.211608	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+IsoProp+Na+H"	84.054008
"993111"	170.112626	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+2ACN+2H"	84.067652
"1589800"	341.126228	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+K+HCOOH"	84.968628
"1417647"	371.157738	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+H+CF3COOH"	115.000138
"1147148"	190.625901	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+3ACN+2H"	125.094202
"1698581"	388.184285	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+NH4+CF3COOH"	132.026685
"1646266"	393.13968	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+Na+CF3COOH"	136.98208
"1580822"	409.11362	"C09866"	"Huperzine B"	"C16H20N2O"	"256.1576"	"M+K+CF3COOH"	152.95602
"803532"	261.1729	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M"	0
"976333"	242.15451	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-H2O-H"	-19.01839
"66397"	173.107990666667	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M-3H"	-3.021828
"508145"	260.165624	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M-3H"	-3.021828
"891414"	86.0503573333333	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-3H"	-3.021828
"6711"	260.165624	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M-2H"	-2.014552
"447364"	390.752074	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M-2H"	-2.014552
"821890"	129.579174	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-2H"	-2.014552
"87344"	521.338524	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M-H"	-1.007276
"526905"	782.511424	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M-H"	-1.007276
"909081"	260.165624	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-H"	-1.007276
"54708"	538.365071	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M-2H+NH4"	16.019271
"493175"	799.537971	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M-2H+NH4"	16.019271
"869884"	277.192171	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-2H+NH4"	16.019271
"35608"	543.320466	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M-2H+Na"	20.974666
"482459"	804.493366	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M-2H+Na"	20.974666
"859169"	282.147566	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-2H+Na"	20.974666
"1620318"	282.147566	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Na-2H"	20.974666
"100131"	278.153963	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M-H+Cl"	33.962126
"537505"	408.740413	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M-H+Cl"	33.962126
"928584"	147.567513	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-H+Cl"	33.962126
"269207"	557.315202	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+Cl"	34.969402
"661023"	818.488102	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+Cl"	34.969402
"1275860"	296.142302	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Cl"	34.969402
"17806"	559.294406	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M-2H+K"	36.948606
"458704"	820.467306	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M-2H+K"	36.948606
"841977"	298.121506	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-2H+K"	36.948606
"1562186"	298.121506	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+K-2H"	36.948606
"952258"	306.171094	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-H+HCOOH"	44.998194
"366100"	567.344001	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+HCOOH-H"	44.998201
"349981"	581.359651	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+Hac-H"	59.013851
"1494435"	320.186751	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Hac-H"	59.013851
"960518"	328.153051	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-H+NaCOOH"	66.980151
"111734"	296.142302	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+2Cl"	69.938804
"550929"	426.728752	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+2Cl"	69.938804
"1022766"	165.555852	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2Cl"	69.938804
"1243194"	340.091785	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Br"	78.918885
"1305278"	342.147772	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Cl+HCOOH"	80.974872
"1320955"	364.129729	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Cl+NaCOOH"	102.956829
"915301"	374.158486	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M-H+CF3COOH"	112.985586
"1302952"	410.135164	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Cl+CF3COOH"	148.962264
"1377832"	226.160224	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H-2H2O"	-35.012676
"1395326"	244.1702	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H-H2O"	-17.0027
"297199"	523.353076	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+H"	1.007276
"685255"	784.525976	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+H"	1.007276
"1359414"	262.180176	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H"	1.007276
"134489"	262.180176	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+2H"	2.014552
"570769"	392.766626	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+2H"	2.014552
"1039571"	131.593726	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2H"	2.014552
"207470"	175.122542666667	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+3H"	3.021828
"649952"	262.180176	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+3H"	3.021828
"1165523"	88.0649093333333	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+3H"	3.021828
"426608"	540.379623	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+NH4"	18.033823
"787966"	801.552523	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+NH4"	18.033823
"1682595"	279.206723	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+NH4"	18.033823
"332939"	270.6934495	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+H+NH4"	19.041099
"723208"	401.2798995	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+H+NH4"	19.041099
"1479546"	140.1069995	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H+NH4"	19.041099
"397869"	545.335018	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+Na"	22.989218
"758863"	806.507918	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+Na"	22.989218
"1604899"	284.162118	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Na"	22.989218
"318095"	273.171147	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+H+Na"	23.996494
"709420"	403.757597	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+H+Na"	23.996494
"1467617"	142.584697	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H+Na"	23.996494
"1059775"	95.3922233333333	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2H+Na"	25.00377
"1269474"	294.206386	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+CH3OH+H"	33.033486
"386590"	561.308958	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+K"	38.963158
"745398"	822.481858	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+K"	38.963158
"1547448"	300.136058	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+K"	38.963158
"301343"	281.158117	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+H+K"	39.970434
"694856"	411.744567	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+H+K"	39.970434
"1446854"	150.571667	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H+K"	39.970434
"236018"	564.379626	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+ACN+H"	42.033826
"1212534"	303.206726	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+ACN+H"	42.033826
"1197146"	152.107001	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+ACN+2H"	43.041102
"193296"	567.31696	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+2Na-H"	44.97116
"628926"	828.48986	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+2Na-H"	44.97116
"1135271"	306.14406	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2Na-H"	44.97116
"178561"	284.162118	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+2Na"	45.978436
"614109"	414.748568	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+2Na"	45.978436
"1117372"	153.575668	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2Na"	45.978436
"1402972"	102.719537333333	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H+2Na"	46.985712
"1445559"	308.185646	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H+HCOOH"	47.012746
"232808"	289.19514	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+3H2O+2H"	56.04448
"1520506"	322.23769	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+IsoProp+H"	61.06479
"423106"	292.149088	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+Na+K"	61.952376
"777903"	422.735538	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+Na+K"	61.952376
"1673139"	161.562638	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Na+K"	61.952376
"257472"	586.361568	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+ACN+Na"	64.015768
"1235648"	325.188668	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+ACN+Na"	64.015768
"1720160"	325.212193	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+NH4+HCOOH"	64.039293
"1193534"	110.046851333333	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+3Na"	68.967654
"1659780"	330.167588	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Na+HCOOH"	68.994688
"166644"	599.26484	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+2K-H"	76.91904
"601832"	860.43774	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+2K-H"	76.91904
"1090721"	338.09194	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2K-H"	76.91904
"150818"	300.136058	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"2M+2K"	77.926316
"588192"	430.722508	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"3M+2K"	77.926316
"1073797"	169.549608	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2K"	77.926316
"1107007"	340.106492	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2K+H"	78.933592
"1342297"	340.194107	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+DMSO+H"	79.021207
"1006212"	344.233276	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2ACN+H"	83.060376
"1525432"	345.226908	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+IsoProp+Na+H"	84.054008
"992127"	172.620276	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+2ACN+2H"	84.067652
"1587961"	346.141528	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+K+HCOOH"	84.968628
"1414712"	376.173038	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+H+CF3COOH"	115.000138
"1147309"	193.133551	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+3ACN+2H"	125.094202
"1697388"	393.199585	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+NH4+CF3COOH"	132.026685
"1644189"	398.15498	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+Na+CF3COOH"	136.98208
"1580932"	414.12892	"C09867"	"Inundatine"	"C16H23NO2"	"261.1729"	"M+K+CF3COOH"	152.95602
"808016"	150.1045	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M"	0
"976082"	131.08611	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"67604"	99.0623906666667	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"507162"	149.097224	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"891525"	49.0275573333333	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"6821"	149.097224	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"447474"	224.149474	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"829650"	74.044974	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"87455"	299.201724	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"528109"	449.306224	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"905912"	149.097224	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"52633"	316.228271	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"491099"	466.332771	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"867810"	166.123771	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"31707"	321.183666	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"481841"	471.288166	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"862196"	171.079166	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1621523"	171.079166	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"101334"	167.085563	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"536520"	242.137813	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"929304"	92.033313	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"272962"	335.178402	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"661740"	485.282902	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1278886"	185.073902	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"20347"	337.157606	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"458449"	487.262106	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"840993"	187.053106	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1564482"	187.053106	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"954556"	195.102694	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"371677"	345.207201	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"351185"	359.222851	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1494546"	209.118351	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"960629"	217.084651	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"111359"	185.073902	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"552376"	260.126152	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1024093"	110.021652	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1242577"	229.023385	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1305026"	231.079372	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1321432"	253.061329	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"918691"	263.090086	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1303874"	299.066764	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1379036"	115.091824	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1394344"	133.1018	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"296217"	301.216276	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"684268"	451.320776	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1362804"	151.111776	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H"	1.007276
"137515"	151.111776	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"580236"	226.164026	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1044056"	76.059526	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"213049"	101.076942666667	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"651515"	151.111776	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1166362"	51.0421093333333	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"426716"	318.242823	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"789534"	468.347323	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1686227"	168.138323	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"333777"	159.6250495	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"728020"	234.6772995	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1482573"	84.5727995	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"400165"	323.198218	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"761159"	473.302718	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1608167"	173.093718	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"320391"	162.102747	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"712809"	237.154997	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1468821"	87.050497	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1062071"	58.3694233333333	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1271043"	183.137986	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"391075"	339.172158	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"749517"	489.276658	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1550839"	189.067658	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+K"	38.963158
"311294"	170.089717	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"702621"	245.141967	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1450973"	95.037467	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"240669"	342.242826	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1213377"	192.138326	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1201629"	96.572801	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"197781"	345.18016	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"637341"	495.28466	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1135379"	195.07566	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"180858"	173.093718	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"618230"	248.145968	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1122829"	98.041468	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1403446"	65.6967373333333	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1443219"	197.117246	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"235347"	178.12674	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1524100"	211.16929	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"420666"	181.080688	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"782024"	256.132938	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1676530"	106.028438	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"261956"	364.224768	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1235758"	214.120268	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1725374"	214.143793	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1191822"	73.0240513333333	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1662077"	219.099188	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"166755"	377.12804	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"604129"	527.23254	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1097391"	227.02354	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"155302"	189.067658	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"594863"	264.119908	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1081563"	114.015408	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1109304"	229.038092	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1342407"	229.125707	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1007662"	233.164876	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1525300"	234.158508	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"992237"	117.086076	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1587342"	235.073128	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1414582"	265.104638	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1147339"	137.599351	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1697577"	282.131185	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1644299"	287.08658	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1581042"	303.06052	"C09868"	"Menthofuran"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"804846"	467.3876	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M"	0
"974394"	448.36921	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-H2O-H"	-19.01839
"64433"	310.584457333333	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M-3H"	-3.021828
"506179"	466.380324	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M-3H"	-3.021828
"887261"	154.788590666667	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-3H"	-3.021828
"5838"	466.380324	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M-2H"	-2.014552
"448678"	700.074124	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M-2H"	-2.014552
"827572"	232.686524	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-2H"	-2.014552
"84285"	933.767924	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M-H"	-1.007276
"522754"	1401.155524	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M-H"	-1.007276
"903834"	466.380324	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-H"	-1.007276
"49463"	950.794471	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M-2H+NH4"	16.019271
"488171"	1418.182071	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M-2H+NH4"	16.019271
"864883"	483.406871	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-2H+NH4"	16.019271
"32301"	955.749866	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M-2H+Na"	20.974666
"474296"	1423.137466	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M-2H+Na"	20.974666
"856473"	488.362266	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-2H+Na"	20.974666
"1619446"	488.362266	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Na-2H"	20.974666
"98164"	484.368663	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M-H+Cl"	33.962126
"535537"	718.062463	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M-H+Cl"	33.962126
"927469"	250.674863	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-H+Cl"	33.962126
"267724"	969.744602	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+Cl"	34.969402
"660349"	1437.132202	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+Cl"	34.969402
"1277174"	502.357002	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Cl"	34.969402
"19728"	971.723806	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M-2H+K"	36.948606
"458558"	1439.111406	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M-2H+K"	36.948606
"838917"	504.336206	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-2H+K"	36.948606
"1563499"	504.336206	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+K-2H"	36.948606
"954666"	512.385794	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-H+HCOOH"	44.998194
"370694"	979.773401	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+HCOOH-H"	44.998201
"351295"	993.789051	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+Hac-H"	59.013851
"1493928"	526.401451	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Hac-H"	59.013851
"960376"	534.367751	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-H+NaCOOH"	66.980151
"111469"	502.357002	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+2Cl"	69.938804
"553581"	736.050802	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+2Cl"	69.938804
"1023108"	268.663202	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2Cl"	69.938804
"1244873"	546.306485	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Br"	78.918885
"1305378"	548.362472	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Cl+HCOOH"	80.974872
"1321906"	570.344429	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Cl+NaCOOH"	102.956829
"915521"	580.373186	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M-H+CF3COOH"	112.985586
"1303418"	616.349864	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Cl+CF3COOH"	148.962264
"1380606"	432.374924	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H-2H2O"	-35.012676
"1393362"	450.3849	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H-H2O"	-17.0027
"297057"	935.782476	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+H"	1.007276
"682192"	1403.170076	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+H"	1.007276
"1360728"	468.394876	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H"	1.007276
"135802"	468.394876	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+2H"	2.014552
"579738"	702.088676	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+2H"	2.014552
"1040886"	234.701076	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2H"	2.014552
"210972"	312.599009333333	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+3H"	3.021828
"652719"	468.394876	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+3H"	3.021828
"1166472"	156.803142666667	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+3H"	3.021828
"426099"	952.809023	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+NH4"	18.033823
"786727"	1420.196623	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+NH4"	18.033823
"1682329"	485.421423	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+NH4"	18.033823
"331334"	476.9081495	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+H+NH4"	19.041099
"723511"	710.6019495	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+H+NH4"	19.041099
"1479765"	243.2143495	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H+NH4"	19.041099
"400275"	957.764418	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+Na"	22.989218
"761269"	1425.152018	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+Na"	22.989218
"1608277"	490.376818	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Na"	22.989218
"320501"	479.385847	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+H+Na"	23.996494
"714012"	713.079647	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+H+Na"	23.996494
"1467837"	245.692047	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H+Na"	23.996494
"1061088"	164.130456666667	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2H+Na"	25.00377
"1266047"	500.421086	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+CH3OH+H"	33.033486
"388269"	973.738358	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+K"	38.963158
"750355"	1441.125958	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+K"	38.963158
"1545480"	506.350758	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+K"	38.963158
"301563"	487.372817	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+H+K"	39.970434
"702367"	721.066617	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+H+K"	39.970434
"1451083"	253.679017	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H+K"	39.970434
"238592"	976.809026	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+ACN+H"	42.033826
"1213486"	509.421426	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+ACN+H"	42.033826
"1200646"	255.214351	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+ACN+2H"	43.041102
"195705"	979.74636	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+2Na-H"	44.97116
"638545"	1447.13396	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+2Na-H"	44.97116
"1136583"	512.35876	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2Na-H"	44.97116
"179875"	490.376818	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+2Na"	45.978436
"618342"	724.070618	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+2Na"	45.978436
"1121845"	256.683018	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2Na"	45.978436
"1405379"	171.457770666667	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H+2Na"	46.985712
"1443329"	514.400346	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H+HCOOH"	47.012746
"233392"	495.40984	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+3H2O+2H"	56.04448
"1523520"	528.45239	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+IsoProp+H"	61.06479
"422598"	498.363788	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+Na+K"	61.952376
"780310"	732.057588	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+Na+K"	61.952376
"1676640"	264.669988	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Na+K"	61.952376
"259879"	998.790968	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+ACN+Na"	64.015768
"1236962"	531.403368	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+ACN+Na"	64.015768
"1724755"	531.426893	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+NH4+HCOOH"	64.039293
"1190839"	178.785084666667	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+3Na"	68.967654
"1663284"	536.382288	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Na+HCOOH"	68.994688
"166865"	1011.69424	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+2K-H"	76.91904
"604240"	1479.08184	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+2K-H"	76.91904
"1093125"	544.30664	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2K-H"	76.91904
"147754"	506.350758	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"2M+2K"	77.926316
"589503"	740.044558	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"3M+2K"	77.926316
"1076202"	272.656958	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2K"	77.926316
"1107225"	546.321192	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2K+H"	78.933592
"1344703"	546.408807	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+DMSO+H"	79.021207
"1011052"	550.447976	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2ACN+H"	83.060376
"1530272"	551.441608	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+IsoProp+Na+H"	84.054008
"992347"	275.727626	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+2ACN+2H"	84.067652
"1587212"	552.356228	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+K+HCOOH"	84.968628
"1415058"	582.387738	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+H+CF3COOH"	115.000138
"1147530"	296.240901	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+3ACN+2H"	125.094202
"1697096"	599.414285	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+NH4+CF3COOH"	132.026685
"1644409"	604.36968	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+Na+CF3COOH"	136.98208
"1581152"	620.34362	"C09869"	"Lucidine B;Serratanine"	"C30H49N3O"	"467.3876"	"M+K+CF3COOH"	152.95602
"806049"	198.162	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M"	0
"978489"	179.14361	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-H2O-H"	-19.01839
"67825"	131.100724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M-3H"	-3.021828
"509570"	197.154724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M-3H"	-3.021828
"890653"	65.046724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-3H"	-3.021828
"9227"	197.154724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M-2H"	-2.014552
"450974"	296.235724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M-2H"	-2.014552
"829871"	98.073724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-2H"	-2.014552
"88769"	395.316724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M-H"	-1.007276
"528331"	593.478724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M-H"	-1.007276
"907956"	197.154724	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-H"	-1.007276
"52855"	412.343271	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M-2H+NH4"	16.019271
"492414"	610.505271	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M-2H+NH4"	16.019271
"870218"	214.181271	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-2H+NH4"	16.019271
"35939"	417.298666	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M-2H+Na"	20.974666
"482062"	615.460666	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M-2H+Na"	20.974666
"856584"	219.136666	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-2H+Na"	20.974666
"1619920"	219.136666	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Na-2H"	20.974666
"100825"	215.143063	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M-H+Cl"	33.962126
"537833"	314.224063	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M-H+Cl"	33.962126
"928431"	116.062063	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-H+Cl"	33.962126
"273912"	431.293402	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+Cl"	34.969402
"662689"	629.455402	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+Cl"	34.969402
"1278740"	233.131402	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Cl"	34.969402
"19473"	433.272606	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M-2H+K"	36.948606
"460490"	631.434606	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M-2H+K"	36.948606
"839027"	235.110606	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-2H+K"	36.948606
"1561422"	235.110606	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+K-2H"	36.948606
"947121"	243.160194	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-H+HCOOH"	44.998194
"370804"	441.322201	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+HCOOH-H"	44.998201
"349219"	455.337851	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+Hac-H"	59.013851
"1494767"	257.175851	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Hac-H"	59.013851
"962310"	265.142151	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-H+NaCOOH"	66.980151
"114494"	233.131402	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+2Cl"	69.938804
"554056"	332.212402	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+2Cl"	69.938804
"1022853"	134.050402	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2Cl"	69.938804
"1244618"	277.080885	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Br"	78.918885
"1308894"	279.136872	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Cl+HCOOH"	80.974872
"1320557"	301.118829	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Cl+NaCOOH"	102.956829
"923286"	311.147586	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M-H+CF3COOH"	112.985586
"1303284"	347.124264	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Cl+CF3COOH"	148.962264
"1379257"	163.149324	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H-2H2O"	-35.012676
"1396753"	181.1593	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H-H2O"	-17.0027
"296078"	397.331276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+H"	1.007276
"680115"	595.493276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+H"	1.007276
"1361933"	199.169276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H"	1.007276
"132634"	199.169276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+2H"	2.014552
"580578"	298.250276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+2H"	2.014552
"1044273"	100.088276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2H"	2.014552
"211082"	133.115276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+3H"	3.021828
"652829"	199.169276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+3H"	3.021828
"1164394"	67.061276	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+3H"	3.021828
"425480"	414.357823	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+NH4"	18.033823
"791937"	612.519823	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+NH4"	18.033823
"1683895"	216.195823	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+NH4"	18.033823
"334360"	207.6825495	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+H+NH4"	19.041099
"725325"	306.7635495	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+H+NH4"	19.041099
"1479875"	108.6015495	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H+NH4"	19.041099
"397104"	419.313218	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+Na"	22.989218
"760286"	617.475218	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+Na"	22.989218
"1606201"	221.151218	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Na"	22.989218
"318425"	210.160247	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+H+Na"	23.996494
"711935"	309.241247	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+H+Na"	23.996494
"1465761"	111.079247	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H+Na"	23.996494
"1061197"	74.38859	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2H+Na"	25.00377
"1268343"	231.195486	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+CH3OH+H"	33.033486
"390566"	435.287158	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+K"	38.963158
"745725"	633.449158	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+K"	38.963158
"1542310"	237.125158	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+K"	38.963158
"301672"	218.147217	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+H+K"	39.970434
"697374"	317.228217	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+H+K"	39.970434
"1449007"	119.066217	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H+K"	39.970434
"237608"	438.357826	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+ACN+H"	42.033826
"1216873"	240.195826	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+ACN+H"	42.033826
"1200029"	120.601551	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+ACN+2H"	43.041102
"195814"	441.29516	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+2Na-H"	44.97116
"638291"	639.45716	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+2Na-H"	44.97116
"1137786"	243.13316	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2Na-H"	44.97116
"181079"	221.151218	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+2Na"	45.978436
"623918"	320.232218	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+2Na"	45.978436
"1126329"	122.070218	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2Na"	45.978436
"1405489"	81.715904	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H+2Na"	46.985712
"1444168"	245.174746	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H+HCOOH"	47.012746
"234230"	226.18424	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+3H2O+2H"	56.04448
"1522298"	259.22679	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+IsoProp+H"	61.06479
"423435"	229.138188	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+Na+K"	61.952376
"782980"	328.219188	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+Na+K"	61.952376
"1679674"	130.057188	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Na+K"	61.952376
"266066"	460.339768	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+ACN+Na"	64.015768
"1239261"	262.177768	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+ACN+Na"	64.015768
"1727055"	262.201293	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+NH4+HCOOH"	64.039293
"1192413"	89.043218	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+3Na"	68.967654
"1663767"	267.156688	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Na+HCOOH"	68.994688
"171718"	473.24304	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+2K-H"	76.91904
"607631"	671.40504	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+2K-H"	76.91904
"1093235"	275.08104	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2K-H"	76.91904
"154063"	237.125158	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"2M+2K"	77.926316
"592170"	336.206158	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"3M+2K"	77.926316
"1080327"	138.044158	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2K"	77.926316
"1113534"	277.095592	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2K+H"	78.933592
"1348825"	277.183207	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+DMSO+H"	79.021207
"1011159"	281.222376	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2ACN+H"	83.060376
"1535844"	282.216008	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+IsoProp+Na+H"	84.054008
"992454"	141.114826	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+2ACN+2H"	84.067652
"1590236"	283.130628	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+K+HCOOH"	84.968628
"1414924"	313.162138	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+H+CF3COOH"	115.000138
"1149464"	161.628101	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+3ACN+2H"	125.094202
"1698288"	330.188685	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+NH4+CF3COOH"	132.026685
"1639047"	335.14408	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+Na+CF3COOH"	136.98208
"1584541"	351.11802	"C09870"	"(-)-Menthyl acetate;l-Menthyl acetate;Menthyl acetate"	"C12H22O2"	"198.162"	"M+K+CF3COOH"	152.95602
"813814"	154.1358	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M"	0
"987347"	135.11741	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"71216"	101.749924	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"511870"	153.128524	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"889671"	50.371324	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"6057"	153.128524	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"447805"	230.196424	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828888"	76.060624	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"87786"	307.264324	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"527347"	461.400124	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"904056"	153.128524	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"56245"	324.290871	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"493618"	478.426671	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"873608"	170.155071	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"44798"	329.246266	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"484360"	483.382066	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"859974"	175.110466	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1632552"	175.110466	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"104946"	171.116863	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"546694"	248.184763	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939115"	94.048963	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"276577"	343.241002	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"665352"	497.376802	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1278483"	189.105202	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"20312"	345.220206	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"461693"	499.356006	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"839138"	191.084406	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1560439"	191.084406	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"954886"	199.133994	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"373103"	353.269801	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"355891"	367.285451	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1501442"	213.149651	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"963514"	221.115951	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"113146"	189.105202	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"553801"	266.173102	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1022963"	112.037302	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1245095"	233.054685	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1306818"	235.110672	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1322125"	257.092629	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"923396"	267.121386	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1301940"	303.098064	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1380098"	119.123124	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1396863"	137.1331	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"296188"	309.278876	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"684601"	463.414676	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1354388"	155.143076	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"137847"	155.143076	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"577771"	232.210976	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1043289"	78.075176	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"209368"	103.764476	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"647470"	155.143076	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1165232"	52.385876	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"426315"	326.305423	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"788767"	480.441223	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1683275"	172.169623	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"334106"	163.6563495	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"727258"	240.7242495	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1482533"	86.5884495	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"394297"	331.260818	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"756017"	485.396618	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1605582"	177.125018	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"316225"	166.134047	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"708767"	243.201947	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1462953"	89.066147	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1064223"	59.71319	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1268090"	187.169286	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"390311"	347.234758	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"745835"	501.370558	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1541448"	193.098958	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"299959"	174.121017	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"695297"	251.188917	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1451304"	97.053117	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"239906"	350.305426	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1214801"	196.169626	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1201962"	98.588451	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"200300"	353.24276	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"639860"	507.37856	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1141178"	199.10696	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"183375"	177.125018	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"622572"	254.192918	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1123891"	100.057118	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1411796"	67.040504	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1444886"	201.148546	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"235521"	182.15804	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1522773"	215.20059	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"423182"	185.111988	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"784186"	262.179888	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1680515"	108.044088	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"264112"	372.287368	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1239010"	218.151568	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1725344"	218.175093	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1191065"	74.367818	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1663510"	223.130488	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"170365"	385.19064	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"606646"	539.32644	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1093348"	231.05484	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"152349"	193.098958	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"593374"	270.166858	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1079706"	116.031058	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1112913"	233.069392	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1349299"	233.157007	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1011272"	237.196176	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1529396"	238.189808	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"992568"	119.101726	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1591442"	239.104428	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1417103"	269.135938	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1148484"	139.615001	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1697385"	286.162485	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1639157"	291.11788	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1581371"	307.09182	"C09871"	"Nerol;(Z)-37-Dimethylocta-26-dien-1-ol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"805540"	207.1623	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M"	0
"981990"	188.14391	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-H2O-H"	-19.01839
"74607"	137.100924	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M-3H"	-3.021828
"511979"	206.155024	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M-3H"	-3.021828
"894156"	68.046824	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-3H"	-3.021828
"10542"	206.155024	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M-2H"	-2.014552
"449009"	309.736174	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M-2H"	-2.014552
"830822"	102.573874	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-2H"	-2.014552
"88990"	413.317324	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M-H"	-1.007276
"530737"	620.479624	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M-H"	-1.007276
"901976"	206.155024	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-H"	-1.007276
"54164"	430.343871	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M-2H+NH4"	16.019271
"493727"	637.506171	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M-2H+NH4"	16.019271
"870439"	223.181571	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-2H+NH4"	16.019271
"46491"	435.299266	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M-2H+Na"	20.974666
"486988"	642.461566	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M-2H+Na"	20.974666
"860084"	228.136966	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-2H+Na"	20.974666
"1632903"	228.136966	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Na-2H"	20.974666
"106149"	224.143363	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M-H+Cl"	33.962126
"545709"	327.724513	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M-H+Cl"	33.962126
"937038"	120.562213	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-H+Cl"	33.962126
"276687"	449.294002	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+Cl"	34.969402
"664370"	656.456302	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+Cl"	34.969402
"1278231"	242.131702	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Cl"	34.969402
"21883"	451.273206	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M-2H+K"	36.948606
"461441"	658.435506	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M-2H+K"	36.948606
"839248"	244.110906	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-2H+K"	36.948606
"1564923"	244.110906	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+K-2H"	36.948606
"955725"	252.160494	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-H+HCOOH"	44.998194
"376494"	459.322801	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+HCOOH-H"	44.998201
"353814"	473.338451	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+Hac-H"	59.013851
"1504468"	266.176151	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Hac-H"	59.013851
"967634"	274.142451	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-H+NaCOOH"	66.980151
"114716"	242.131702	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+2Cl"	69.938804
"553183"	345.712852	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+2Cl"	69.938804
"1026355"	138.550552	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2Cl"	69.938804
"1244111"	286.081185	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Br"	78.918885
"1306564"	288.137172	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Cl+HCOOH"	80.974872
"1320779"	310.119129	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Cl+NaCOOH"	102.956829
"915851"	320.147886	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M-H+CF3COOH"	112.985586
"1303142"	356.124564	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Cl+CF3COOH"	148.962264
"1378389"	172.149624	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H-2H2O"	-35.012676
"1396248"	190.1596	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H-H2O"	-17.0027
"296298"	415.331876	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+H"	1.007276
"683616"	622.494176	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+H"	1.007276
"1356685"	208.169576	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H"	1.007276
"128481"	208.169576	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+2H"	2.014552
"579706"	311.750726	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+2H"	2.014552
"1049596"	104.588426	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2H"	2.014552
"215675"	139.115476	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+3H"	3.021828
"650133"	208.169576	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+3H"	3.021828
"1168260"	70.061376	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+3H"	3.021828
"427155"	432.358423	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+NH4"	18.033823
"788878"	639.520723	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+NH4"	18.033823
"1686668"	225.196123	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+NH4"	18.033823
"336768"	216.6828495	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+H+NH4"	19.041099
"729193"	320.2639995	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+H+NH4"	19.041099
"1484466"	113.1016995	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H+NH4"	19.041099
"394770"	437.313818	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+Na"	22.989218
"755765"	644.476118	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+Na"	22.989218
"1606421"	230.151518	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Na"	22.989218
"315729"	219.160547	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+H+Na"	23.996494
"708026"	322.741697	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+H+Na"	23.996494
"1462942"	115.579397	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H+Na"	23.996494
"1063969"	77.38869	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2H+Na"	25.00377
"1268928"	240.195786	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+CH3OH+H"	33.033486
"391149"	453.287758	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+K"	38.963158
"749225"	660.450058	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+K"	38.963158
"1544717"	246.125458	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+K"	38.963158
"302986"	227.147517	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+H+K"	39.970434
"695407"	330.728667	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+H+K"	39.970434
"1453600"	123.566367	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H+K"	39.970434
"243294"	456.358426	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+ACN+H"	42.033826
"1218188"	249.196126	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+ACN+H"	42.033826
"1204258"	125.101701	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+ACN+2H"	43.041102
"196401"	459.29576	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+2Na-H"	44.97116
"641065"	666.45806	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+2Na-H"	44.97116
"1141291"	252.13346	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2Na-H"	44.97116
"185308"	230.151518	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+2Na"	45.978436
"624140"	333.732668	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+2Na"	45.978436
"1126554"	126.570368	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2Na"	45.978436
"1412270"	84.716004	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H+2Na"	46.985712
"1437826"	254.175046	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H+HCOOH"	47.012746
"225334"	235.18454	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+3H2O+2H"	56.04448
"1515581"	268.22709	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+IsoProp+H"	61.06479
"420736"	238.138488	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+Na+K"	61.952376
"784289"	341.719638	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+Na+K"	61.952376
"1679524"	134.557338	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Na+K"	61.952376
"266540"	478.340368	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+ACN+Na"	64.015768
"1237296"	271.178068	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+ACN+Na"	64.015768
"1725095"	271.201593	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+NH4+HCOOH"	64.039293
"1192272"	92.043318	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+3Na"	68.967654
"1664353"	276.156988	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Na+HCOOH"	68.994688
"172063"	491.24364	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+2K-H"	76.91904
"608946"	698.40594	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+2K-H"	76.91904
"1096738"	284.08134	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2K-H"	76.91904
"152461"	246.125458	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"2M+2K"	77.926316
"593117"	349.706608	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"3M+2K"	77.926316
"1079816"	142.544308	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2K"	77.926316
"1114727"	286.095892	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2K+H"	78.933592
"1347955"	286.183507	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+DMSO+H"	79.021207
"1012473"	290.222676	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2ACN+H"	83.060376
"1533879"	291.216308	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+IsoProp+Na+H"	84.054008
"1001422"	145.614976	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+2ACN+2H"	84.067652
"1591553"	292.130928	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+K+HCOOH"	84.968628
"1420491"	322.162438	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+H+CF3COOH"	115.000138
"1150051"	166.128251	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+3ACN+2H"	125.094202
"1698510"	339.188985	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+NH4+CF3COOH"	132.026685
"1639267"	344.14438	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+Na+CF3COOH"	136.98208
"1572004"	360.11832	"C09872"	"Luciduline;()-Luciduline"	"C13H21NO"	"207.1623"	"M+K+CF3COOH"	152.95602
"814036"	136.1252	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M"	0
"988664"	117.10681	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"71437"	89.7428573333333	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"515373"	135.117924	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"889892"	44.3677906666667	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"7373"	135.117924	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"448027"	203.180524	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"826922"	67.055324	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"89101"	271.243124	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"528661"	407.368324	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"900995"	135.117924	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"53183"	288.269671	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"493837"	424.394871	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"870545"	152.144471	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"47033"	293.225066	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"486851"	429.350266	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"860194"	157.099866	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1632649"	157.099866	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"106260"	153.106263	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"545819"	221.168863	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"937146"	85.043663	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"276797"	307.219802	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"668126"	443.345002	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1280529"	171.094602	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"26365"	309.199006	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"462644"	445.324206	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"841544"	173.073806	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1563938"	173.073806	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"950727"	181.123394	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"372953"	317.248601	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"350643"	331.264251	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1498381"	195.139051	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"961547"	203.105351	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"113732"	171.094602	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"557668"	239.157202	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1024279"	103.032002	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1244220"	215.044085	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1305212"	217.100072	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1322710"	239.082029	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"923616"	249.110786	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1302645"	285.087464	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1381290"	101.112524	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1394173"	119.1225	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"292398"	273.257676	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"687006"	409.382876	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1356795"	137.132476	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H"	1.007276
"131871"	137.132476	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"578361"	205.195076	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1050681"	69.069876	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"217851"	91.7574093333333	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"654253"	137.132476	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1168367"	46.3823426666667	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"429816"	290.284223	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"792634"	426.409423	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1690059"	154.159023	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"337242"	145.6457495	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"730396"	213.7083495	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1482026"	77.5831495	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"395243"	295.239618	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"755629"	431.364818	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1604345"	159.114418	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"315717"	148.123447	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"707402"	216.186047	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1461876"	80.060847	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1062620"	53.7096566666667	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1268309"	169.158686	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"390165"	311.213558	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"749335"	447.338758	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1544827"	175.088358	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+K"	38.963158
"300910"	156.110417	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"697704"	224.173017	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1454804"	88.047817	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"244497"	314.284226	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1217205"	178.159026	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1203277"	89.583151	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"198335"	317.22156	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"638988"	453.34676	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1138486"	181.09636	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"179953"	159.114418	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"622065"	227.177018	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1129218"	91.051818	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1411287"	61.0369706666667	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1437936"	183.137946	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"225444"	164.14744	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1514598"	197.18999	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"412098"	167.101388	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"780747"	235.163988	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1678175"	99.038788	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"264698"	336.266168	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1238136"	200.140968	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1727271"	200.164493	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1193474"	68.3642846666667	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1661542"	205.119888	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"172415"	349.16944	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"608329"	485.29464	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1096485"	213.04424	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"154758"	175.088358	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"592501"	243.150958	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1079564"	107.025758	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1111678"	215.058792	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1347336"	215.146407	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1011492"	219.185576	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1527432"	220.179208	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"996064"	110.096426	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1591663"	221.093828	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1419512"	251.125338	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1150164"	130.609701	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1698256"	268.151885	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1637195"	273.10728	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1581592"	289.08122	"C09873"	"(E)-beta-Ocimene;beta-Ocimene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"805396"	278.1994	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M"	0
"988411"	259.18101	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-H2O-H"	-19.01839
"74827"	184.458990666667	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M-3H"	-3.021828
"517306"	277.192124	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M-3H"	-3.021828
"891096"	91.7258573333333	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-3H"	-3.021828
"10763"	277.192124	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M-2H"	-2.014552
"451054"	416.291824	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M-2H"	-2.014552
"827033"	138.092424	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-2H"	-2.014552
"91398"	555.391524	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M-H"	-1.007276
"529865"	833.590924	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M-H"	-1.007276
"907668"	277.192124	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-H"	-1.007276
"59491"	572.418071	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M-2H+NH4"	16.019271
"496133"	850.617471	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M-2H+NH4"	16.019271
"871748"	294.218671	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-2H+NH4"	16.019271
"44765"	577.373466	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M-2H+Na"	20.974666
"486152"	855.572866	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M-2H+Na"	20.974666
"862614"	299.174066	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-2H+Na"	20.974666
"1627653"	299.174066	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Na-2H"	20.974666
"101993"	295.180463	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M-H+Cl"	33.962126
"542646"	434.280163	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M-H+Cl"	33.962126
"933974"	156.080763	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-H+Cl"	33.962126
"272529"	591.368202	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+Cl"	34.969402
"663858"	869.567602	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+Cl"	34.969402
"1276628"	313.168802	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Cl"	34.969402
"22099"	593.347406	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M-2H+K"	36.948606
"466033"	871.546806	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M-2H+K"	36.948606
"838373"	315.148006	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-2H+K"	36.948606
"1558580"	315.148006	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+K-2H"	36.948606
"946462"	323.197594	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-H+HCOOH"	44.998194
"365773"	601.397001	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+HCOOH-H"	44.998201
"350753"	615.412651	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+Hac-H"	59.013851
"1498491"	337.213251	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Hac-H"	59.013851
"960564"	345.179551	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-H+NaCOOH"	66.980151
"112751"	313.168802	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+2Cl"	69.938804
"555591"	452.268502	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+2Cl"	69.938804
"1022931"	174.069102	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2Cl"	69.938804
"1245061"	357.118285	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Br"	78.918885
"1304388"	359.174272	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Cl+HCOOH"	80.974872
"1320629"	381.156229	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Cl+NaCOOH"	102.956829
"912059"	391.184986	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M-H+CF3COOH"	112.985586
"1289862"	427.161664	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Cl+CF3COOH"	148.962264
"1381647"	243.186724	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H-2H2O"	-35.012676
"1392825"	261.1967	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H-H2O"	-17.0027
"292508"	557.406076	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+H"	1.007276
"689306"	835.605476	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+H"	1.007276
"1364562"	279.206676	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H"	1.007276
"131981"	279.206676	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+2H"	2.014552
"578835"	418.306376	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+2H"	2.014552
"1050914"	140.106976	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2H"	2.014552
"217961"	186.473542666667	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+3H"	3.021828
"658008"	279.206676	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+3H"	3.021828
"1172490"	93.7404093333333	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+3H"	3.021828
"437588"	574.432623	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+NH4"	18.033823
"792014"	852.632023	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+NH4"	18.033823
"1685428"	296.233223	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+NH4"	18.033823
"336991"	287.7199495	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+H+NH4"	19.041099
"731598"	426.8196495	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+H+NH4"	19.041099
"1485418"	148.6202495	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H+NH4"	19.041099
"393900"	579.388018	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+Na"	22.989218
"755262"	857.587418	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+Na"	22.989218
"1603482"	301.188618	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Na"	22.989218
"315585"	290.197647	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+H+Na"	23.996494
"708006"	429.297347	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+H+Na"	23.996494
"1462434"	151.097947	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H+Na"	23.996494
"1052838"	101.067723333333	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2H+Na"	25.00377
"1258203"	311.232886	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+CH3OH+H"	33.033486
"377201"	595.361958	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+K"	38.963158
"739961"	873.561358	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+K"	38.963158
"1540032"	317.162558	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+K"	38.963158
"301019"	298.184617	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+H+K"	39.970434
"695625"	437.284317	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+H+K"	39.970434
"1450540"	159.084917	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H+K"	39.970434
"243514"	598.432626	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+ACN+H"	42.033826
"1221688"	320.233226	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+ACN+H"	42.033826
"1206667"	160.620251	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+ACN+2H"	43.041102
"198444"	601.36996	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+2Na-H"	44.97116
"644116"	879.56936	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+2Na-H"	44.97116
"1141509"	323.17056	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2Na-H"	44.97116
"185654"	301.188618	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+2Na"	45.978436
"623995"	440.288318	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+2Na"	45.978436
"1125680"	162.088918	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2Na"	45.978436
"1412248"	108.395037333333	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H+2Na"	46.985712
"1438046"	325.212146	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H+HCOOH"	47.012746
"225554"	306.22164	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+3H2O+2H"	56.04448
"1520175"	339.26419	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+IsoProp+H"	61.06479
"417675"	309.175588	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+Na+K"	61.952376
"781951"	448.275288	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+Na+K"	61.952376
"1680476"	170.075888	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Na+K"	61.952376
"264444"	620.414568	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+ACN+Na"	64.015768
"1237882"	342.215168	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+ACN+Na"	64.015768
"1727990"	342.238693	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+NH4+HCOOH"	64.039293
"1191397"	115.722351333333	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+3Na"	68.967654
"1660560"	347.194088	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Na+HCOOH"	68.994688
"171798"	633.31784	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+2K-H"	76.91904
"609168"	911.51724	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+2K-H"	76.91904
"1098054"	355.11844	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2K-H"	76.91904
"153777"	317.162558	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"2M+2K"	77.926316
"592608"	456.262258	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"3M+2K"	77.926316
"1079311"	178.062858	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2K"	77.926316
"1114344"	357.132992	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2K+H"	78.933592
"1349271"	357.220607	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+DMSO+H"	79.021207
"1016704"	361.259776	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2ACN+H"	83.060376
"1529728"	362.253408	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+IsoProp+Na+H"	84.054008
"996176"	181.133526	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+2ACN+2H"	84.067652
"1591770"	363.168028	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+K+HCOOH"	84.968628
"1417429"	393.199538	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+H+CF3COOH"	115.000138
"1150998"	201.646801	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+3ACN+2H"	125.094202
"1698727"	410.226085	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+NH4+CF3COOH"	132.026685
"1642772"	415.18148	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+Na+CF3COOH"	136.98208
"1581702"	431.15542	"C09874"	"Lycocernuine"	"C16H26N2O2"	"278.1994"	"M+K+CF3COOH"	152.95602
"803319"	136.1252	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M"	0
"989494"	117.10681	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"77126"	89.7428573333333	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"516686"	135.117924	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"893393"	44.3677906666667	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"8688"	135.117924	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"451528"	203.180524	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"827143"	67.055324	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"88228"	271.243124	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"530704"	407.368324	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"906319"	135.117924	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"59236"	288.269671	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"495151"	424.394871	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"872952"	152.144471	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"38677"	293.225066	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"483705"	429.350266	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"860414"	157.099866	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1624119"	157.099866	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"99553"	153.106263	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"542028"	221.168863	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"935178"	85.043663	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"275921"	307.219802	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"663969"	443.345002	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1276008"	171.094602	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"18927"	309.199006	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"467237"	445.324206	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"837390"	173.073806	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1559785"	173.073806	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"948762"	181.123394	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"366977"	317.248601	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"350863"	331.264251	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1498601"	195.139051	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"960674"	203.105351	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"113955"	171.094602	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"553514"	239.157202	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1023405"	103.032002	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1245535"	215.044085	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1305430"	217.100072	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1321104"	239.082029	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"913262"	249.110786	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1290700"	285.087464	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1381634"	101.112524	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1397917"	119.1225	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"294806"	273.257676	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"686132"	409.382876	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1365397"	137.132476	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H"	1.007276
"138290"	137.132476	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"580278"	205.195076	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1051385"	69.069876	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"217830"	91.7574093333333	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"659213"	137.132476	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1176492"	46.3823426666667	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"438062"	290.284223	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"793948"	426.409423	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1688092"	154.159023	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"338196"	145.6457495	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"730615"	213.7083495	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1481519"	77.5831495	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"394126"	295.239618	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"755122"	431.364818	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1603590"	159.114418	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"316415"	148.123447	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"708110"	216.186047	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462296"	80.060847	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1053723"	53.7096566666667	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1257712"	169.158686	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"379076"	311.213558	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"741163"	447.338758	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1540057"	175.088358	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K"	38.963158
"298695"	156.110417	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"693548"	224.173017	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1449554"	88.047817	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"242528"	314.284226	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1217425"	178.159026	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1202403"	89.583151	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"198552"	317.22156	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"640302"	453.34676	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1141620"	181.09636	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"183815"	159.114418	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"621190"	227.177018	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1122874"	91.051818	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1410414"	61.0369706666667	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1443990"	183.137946	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"230039"	164.14744	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1518099"	197.18999	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"419973"	167.101388	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"780968"	235.163988	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1680709"	99.038788	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"262732"	336.266168	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1239941"	200.140968	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1726517"	200.164493	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1192604"	68.3642846666667	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1663221"	205.119888	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"172151"	349.16944	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"610372"	485.29464	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1094155"	213.04424	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"154980"	175.088358	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"593815"	243.150958	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1081608"	107.025758	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1114579"	215.058792	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1350722"	215.146407	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1016450"	219.185576	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1528745"	220.179208	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"997378"	110.096426	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1591880"	221.093828	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1414987"	251.125338	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1148192"	130.609701	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1699930"	268.151885	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1646162"	273.10728	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1581812"	289.08122	"C09875"	"(R)-(-)-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"805616"	242.1783	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M"	0
"982430"	223.15991	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-H2O-H"	-19.01839
"77235"	160.444924	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M-3H"	-3.021828
"515702"	241.171024	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M-3H"	-3.021828
"891316"	79.718824	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-3H"	-3.021828
"8798"	241.171024	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M-2H"	-2.014552
"448356"	362.260174	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M-2H"	-2.014552
"827252"	120.081874	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-2H"	-2.014552
"86880"	483.349324	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M-H"	-1.007276
"527897"	725.527624	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M-H"	-1.007276
"906428"	241.171024	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-H"	-1.007276
"59710"	500.375871	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M-2H+NH4"	16.019271
"495261"	742.554171	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M-2H+NH4"	16.019271
"869782"	258.197571	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-2H+NH4"	16.019271
"40971"	505.331266	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M-2H+Na"	20.974666
"479440"	747.509566	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M-2H+Na"	20.974666
"857243"	263.152966	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-2H+Na"	20.974666
"1624229"	263.152966	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Na-2H"	20.974666
"100392"	259.159363	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M-H+Cl"	33.962126
"542868"	380.248513	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M-H+Cl"	33.962126
"938568"	138.070213	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-H+Cl"	33.962126
"274938"	519.326002	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+Cl"	34.969402
"664079"	761.504302	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+Cl"	34.969402
"1276847"	277.147702	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Cl"	34.969402
"21589"	521.305206	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M-2H+K"	36.948606
"469534"	763.483506	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M-2H+K"	36.948606
"837500"	279.126906	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-2H+K"	36.948606
"1558801"	279.126906	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+K-2H"	36.948606
"948872"	287.176494	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-H+HCOOH"	44.998194
"368180"	529.354801	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+HCOOH-H"	44.998201
"350973"	543.370451	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+Hac-H"	59.013851
"1496524"	301.192151	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Hac-H"	59.013851
"962971"	309.158451	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-H+NaCOOH"	66.980151
"112971"	277.147702	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+2Cl"	69.938804
"555811"	398.236852	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+2Cl"	69.938804
"1023027"	156.058552	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2Cl"	69.938804
"1245281"	321.097185	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Br"	78.918885
"1305294"	323.153172	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Cl+HCOOH"	80.974872
"1320359"	345.135129	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Cl+NaCOOH"	102.956829
"913008"	355.163886	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M-H+CF3COOH"	112.985586
"1289835"	391.140564	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Cl+CF3COOH"	148.962264
"1381378"	207.165624	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H-2H2O"	-35.012676
"1398259"	225.1756	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H-H2O"	-17.0027
"293822"	485.363876	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+H"	1.007276
"686242"	727.542176	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+H"	1.007276
"1365871"	243.185576	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H"	1.007276
"138764"	243.185576	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+2H"	2.014552
"579416"	364.274726	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+2H"	2.014552
"1050400"	122.096426	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2H"	2.014552
"215023"	162.459476	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+3H"	3.021828
"657865"	243.185576	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+3H"	3.021828
"1177084"	81.733376	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+3H"	3.021828
"436712"	502.390423	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+NH4"	18.033823
"793695"	744.568723	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+NH4"	18.033823
"1687474"	260.212123	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+NH4"	18.033823
"339400"	251.6988495	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+H+NH4"	19.041099
"730726"	372.7879995	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+H+NH4"	19.041099
"1480536"	130.6096995	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H+NH4"	19.041099
"395206"	507.345818	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+Na"	22.989218
"754424"	749.524118	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+Na"	22.989218
"1604185"	265.167518	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Na"	22.989218
"316161"	254.176547	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+H+Na"	23.996494
"708220"	375.265697	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+H+Na"	23.996494
"1462404"	133.087397	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H+Na"	23.996494
"1053591"	89.06069	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2H+Na"	25.00377
"1258431"	275.211786	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+CH3OH+H"	33.033486
"381008"	523.319758	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+K"	38.963158
"744187"	765.498058	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+K"	38.963158
"1542601"	281.141458	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+K"	38.963158
"299778"	262.163517	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+H+K"	39.970434
"695844"	383.252667	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+H+K"	39.970434
"1449664"	141.074367	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H+K"	39.970434
"241546"	526.390426	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+ACN+H"	42.033826
"1217534"	284.212126	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+ACN+H"	42.033826
"1202513"	142.609701	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+ACN+2H"	43.041102
"198662"	529.32776	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+2Na-H"	44.97116
"640410"	771.50606	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+2Na-H"	44.97116
"1140637"	287.14946	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2Na-H"	44.97116
"179189"	265.167518	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+2Na"	45.978436
"621300"	386.256668	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+2Na"	45.978436
"1123712"	144.078368	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2Na"	45.978436
"1410524"	96.388004	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H+2Na"	46.985712
"1444222"	289.191046	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H+HCOOH"	47.012746
"226869"	270.20054	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+3H2O+2H"	56.04448
"1517115"	303.24309	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+IsoProp+H"	61.06479
"417897"	273.154488	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+Na+K"	61.952376
"781079"	394.243638	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+Na+K"	61.952376
"1680862"	152.065338	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Na+K"	61.952376
"262841"	548.372368	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+ACN+Na"	64.015768
"1238103"	306.194068	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+ACN+Na"	64.015768
"1726627"	306.217593	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+NH4+HCOOH"	64.039293
"1192713"	103.715318	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+3Na"	68.967654
"1662968"	311.172988	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Na+HCOOH"	68.994688
"170562"	561.27564	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+2K-H"	76.91904
"609388"	803.45394	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+2K-H"	76.91904
"1094265"	319.09734	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2K-H"	76.91904
"154362"	281.141458	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"2M+2K"	77.926316
"592831"	402.230608	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"3M+2K"	77.926316
"1080989"	160.052308	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2K"	77.926316
"1113104"	321.111892	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2K+H"	78.933592
"1349126"	321.199507	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+DMSO+H"	79.021207
"1014007"	325.238676	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2ACN+H"	83.060376
"1531041"	326.232308	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+IsoProp+Na+H"	84.054008
"994208"	163.122976	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+2ACN+2H"	84.067652
"1590897"	327.146928	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+K+HCOOH"	84.968628
"1414611"	357.178438	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+H+CF3COOH"	115.000138
"1149030"	183.636251	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+3ACN+2H"	125.094202
"1698218"	374.204985	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+NH4+CF3COOH"	132.026685
"1646272"	379.16038	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+Na+CF3COOH"	136.98208
"1581922"	395.13432	"C09876"	"Lycodine"	"C16H22N2"	"242.1783"	"M+K+CF3COOH"	152.95602
"802567"	136.1252	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M"	0
"982540"	117.10681	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"77345"	89.7428573333333	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"514718"	135.117924	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"889239"	44.3677906666667	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"6721"	135.117924	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"447373"	203.180524	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"827362"	67.055324	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"87353"	271.243124	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"528007"	407.368324	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"905809"	135.117924	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"60185"	288.269671	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"496464"	424.394871	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"870985"	152.144471	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"41079"	293.225066	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"482461"	429.350266	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"858443"	157.099866	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1626887"	157.099866	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"97950"	153.106263	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"542978"	221.168863	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"938678"	85.043663	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"272861"	307.219802	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"663096"	443.345002	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1276592"	171.094602	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"18419"	309.199006	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"468550"	445.324206	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"837610"	173.073806	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1557452"	173.073806	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"951169"	181.123394	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"370477"	317.248601	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"352176"	331.264251	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1497727"	195.139051	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"963081"	203.105351	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"113081"	171.094602	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"554828"	239.157202	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1023137"	103.032002	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1244298"	215.044085	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1305647"	217.100072	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1320956"	239.082029	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"911892"	249.110786	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1289824"	285.087464	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1381122"	101.112524	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1398094"	119.1225	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"292838"	273.257676	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"681249"	409.382876	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1362701"	137.132476	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H"	1.007276
"138873"	137.132476	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"576246"	205.195076	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1047230"	69.069876	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"216225"	91.7574093333333	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"652509"	137.132476	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1170633"	46.3823426666667	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"437552"	290.284223	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"788699"	426.409423	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1684667"	154.159023	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"332947"	145.6457495	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"725003"	213.7083495	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1479916"	77.5831495	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"393738"	295.239618	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"754290"	431.364818	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1602949"	159.114418	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"314447"	148.123447	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"707476"	216.186047	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462024"	80.060847	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1052967"	53.7096566666667	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258293"	169.158686	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"378079"	311.213558	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"740652"	447.338758	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1541248"	175.088358	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K"	38.963158
"299396"	156.110417	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"692180"	224.173017	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1446857"	88.047817	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"239468"	314.284226	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1214365"	178.159026	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1200436"	89.583151	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"193305"	317.22156	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"638333"	453.34676	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1136374"	181.09636	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"176018"	159.114418	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"618130"	227.177018	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1118478"	91.051818	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1410634"	61.0369706666667	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1441658"	183.137946	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"225884"	164.14744	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1516132"	197.18999	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"415820"	167.101388	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"781189"	235.163988	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1680074"	99.038788	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"261858"	336.266168	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1236754"	200.140968	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1724547"	200.164493	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1192457"	68.3642846666667	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1663078"	205.119888	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"171033"	349.16944	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"608770"	485.29464	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1092917"	213.04424	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"152285"	175.088358	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"592941"	243.150958	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1080734"	107.025758	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1111756"	215.058792	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1349236"	215.146407	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1015211"	219.185576	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1528965"	220.179208	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"996505"	110.096426	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1589914"	221.093828	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1415205"	251.125338	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1148289"	130.609701	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1698693"	268.151885	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1646382"	273.10728	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582032"	289.08122	"C09877"	"()-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"809117"	323.2097	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M"	0
"989796"	304.19131	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-H2O-H"	-19.01839
"78333"	214.465857333333	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M-3H"	-3.021828
"518451"	322.202424	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M-3H"	-3.021828
"891537"	106.729290666667	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-3H"	-3.021828
"11205"	322.202424	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M-2H"	-2.014552
"451494"	483.807274	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M-2H"	-2.014552
"828566"	160.597574	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-2H"	-2.014552
"90381"	645.412124	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M-H"	-1.007276
"529941"	968.621824	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M-H"	-1.007276
"904826"	322.202424	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-H"	-1.007276
"58108"	662.438671	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M-2H+NH4"	16.019271
"496574"	985.648371	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M-2H+NH4"	16.019271
"871095"	339.228971	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-2H+NH4"	16.019271
"44469"	667.394066	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M-2H+Na"	20.974666
"479654"	990.603766	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M-2H+Na"	20.974666
"862563"	344.184366	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-2H+Na"	20.974666
"1631371"	344.184366	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Na-2H"	20.974666
"103530"	340.190763	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M-H+Cl"	33.962126
"541996"	501.795613	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M-H+Cl"	33.962126
"938789"	178.585913	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-H+Cl"	33.962126
"281601"	681.388802	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+Cl"	34.969402
"668673"	1004.598502	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+Cl"	34.969402
"1276702"	358.179102	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Cl"	34.969402
"23633"	683.368006	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M-2H+K"	36.948606
"467567"	1006.577706	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M-2H+K"	36.948606
"838813"	360.158306	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-2H+K"	36.948606
"1562301"	360.158306	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+K-2H"	36.948606
"951279"	368.207894	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-H+HCOOH"	44.998194
"373867"	691.417601	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+HCOOH-H"	44.998201
"351193"	705.433251	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+Hac-H"	59.013851
"1500023"	382.223551	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Hac-H"	59.013851
"967565"	390.189851	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-H+NaCOOH"	66.980151
"116471"	358.179102	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+2Cl"	69.938804
"556032"	519.783952	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+2Cl"	69.938804
"1021793"	196.574252	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2Cl"	69.938804
"1248782"	402.128585	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Br"	78.918885
"1305032"	404.184572	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Cl+HCOOH"	80.974872
"1320338"	426.166529	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Cl+NaCOOH"	102.956829
"911646"	436.195286	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M-H+CF3COOH"	112.985586
"1289448"	472.171964	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Cl+CF3COOH"	148.962264
"1382712"	288.197024	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H-2H2O"	-35.012676
"1398127"	306.207	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H-H2O"	-17.0027
"296229"	647.426676	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+H"	1.007276
"684276"	970.636376	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+H"	1.007276
"1365729"	324.216976	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H"	1.007276
"139712"	324.216976	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+2H"	2.014552
"580001"	485.821826	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+2H"	2.014552
"1042240"	162.612126	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2H"	2.014552
"209777"	216.480409333333	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+3H"	3.021828
"651524"	324.216976	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+3H"	3.021828
"1167828"	108.743842666667	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+3H"	3.021828
"436204"	664.453223	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+NH4"	18.033823
"791725"	987.662923	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+NH4"	18.033823
"1687329"	341.243523	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+NH4"	18.033823
"336338"	332.7302495	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+H+NH4"	19.041099
"728759"	494.3350995	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+H+NH4"	19.041099
"1479301"	171.1253995	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H+NH4"	19.041099
"394702"	669.408618	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+Na"	22.989218
"754360"	992.618318	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+Na"	22.989218
"1603307"	346.198918	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Na"	22.989218
"316019"	335.207947	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+H+Na"	23.996494
"709535"	496.812797	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+H+Na"	23.996494
"1462747"	173.603097	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H+Na"	23.996494
"1055509"	116.071156666667	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2H+Na"	25.00377
"1258648"	356.243186	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+CH3OH+H"	33.033486
"379409"	685.382558	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+K"	38.963158
"742227"	1008.592258	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+K"	38.963158
"1543186"	362.172858	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+K"	38.963158
"301821"	343.194917	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+H+K"	39.970434
"693512"	504.799767	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+H+K"	39.970434
"1446725"	181.590067	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H+K"	39.970434
"238851"	688.453226	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+ACN+H"	42.033826
"1215569"	365.243526	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+ACN+H"	42.033826
"1202731"	183.125401	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+ACN+2H"	43.041102
"191228"	691.39056	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+2Na-H"	44.97116
"638445"	1014.60026	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+2Na-H"	44.97116
"1140857"	368.18086	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2Na-H"	44.97116
"179043"	346.198918	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+2Na"	45.978436
"616783"	507.803768	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+2Na"	45.978436
"1123209"	184.594068	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2Na"	45.978436
"1411837"	123.398470666667	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H+2Na"	46.985712
"1444927"	370.222446	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H+HCOOH"	47.012746
"232192"	351.23194	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+3H2O+2H"	56.04448
"1524145"	384.27449	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+IsoProp+H"	61.06479
"422127"	354.185888	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+Na+K"	61.952376
"783486"	515.790738	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+Na+K"	61.952376
"1681104"	192.581038	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Na+K"	61.952376
"265252"	710.435168	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+ACN+Na"	64.015768
"1239054"	387.225468	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+ACN+Na"	64.015768
"1725388"	387.248993	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+NH4+HCOOH"	64.039293
"1190743"	130.725784666667	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+3Na"	68.967654
"1661731"	392.204388	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Na+HCOOH"	68.994688
"163491"	723.33844	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+2K-H"	76.91904
"606332"	1046.54814	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+2K-H"	76.91904
"1094120"	400.12874	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2K-H"	76.91904
"152758"	362.172858	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"2M+2K"	77.926316
"589404"	523.777708	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"3M+2K"	77.926316
"1081574"	200.568008	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2K"	77.926316
"1111867"	402.143292	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2K+H"	78.933592
"1349589"	402.230907	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+DMSO+H"	79.021207
"1013135"	406.270076	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2ACN+H"	83.060376
"1531260"	407.263708	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+IsoProp+Na+H"	84.054008
"998801"	203.638676	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+2ACN+2H"	84.067652
"1593304"	408.178328	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+K+HCOOH"	84.968628
"1418962"	438.209838	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+H+CF3COOH"	115.000138
"1151438"	224.151951	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+3ACN+2H"	125.094202
"1699896"	455.236385	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+NH4+CF3COOH"	132.026685
"1646492"	460.19178	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+Na+CF3COOH"	136.98208
"1582142"	476.16572	"C09878"	"Lycofawcine"	"C18H29NO4"	"323.2097"	"M+K+CF3COOH"	152.95602
"802666"	275.1885	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M"	0
"987135"	256.17011	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-H2O-H"	-19.01839
"76840"	182.451724	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M-3H"	-3.021828
"515673"	274.181224	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M-3H"	-3.021828
"894201"	90.722224	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-3H"	-3.021828
"10222"	274.181224	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M-2H"	-2.014552
"451604"	411.775474	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M-2H"	-2.014552
"827584"	136.586974	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-2H"	-2.014552
"85388"	549.369724	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M-H"	-1.007276
"527136"	824.558224	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M-H"	-1.007276
"900563"	274.181224	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-H"	-1.007276
"57124"	566.396271	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M-2H+NH4"	16.019271
"495593"	841.584771	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M-2H+NH4"	16.019271
"873393"	291.207771	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-2H+NH4"	16.019271
"39112"	571.351666	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M-2H+Na"	20.974666
"479764"	846.540166	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M-2H+Na"	20.974666
"857569"	296.163166	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-2H+Na"	20.974666
"1630385"	296.163166	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Na-2H"	20.974666
"101445"	292.169563	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M-H+Cl"	33.962126
"545385"	429.763813	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M-H+Cl"	33.962126
"935618"	154.575313	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-H+Cl"	33.962126
"276362"	585.346402	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+Cl"	34.969402
"661495"	860.534902	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+Cl"	34.969402
"1274627"	310.157902	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Cl"	34.969402
"22650"	587.325606	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M-2H+K"	36.948606
"464397"	862.514106	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M-2H+K"	36.948606
"841109"	312.137106	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-2H+K"	36.948606
"1563504"	312.137106	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+K-2H"	36.948606
"948108"	320.186694	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-H+HCOOH"	44.998194
"365229"	595.375201	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+HCOOH-H"	44.998201
"346928"	609.390851	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+Hac-H"	59.013851
"1494667"	334.202351	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Hac-H"	59.013851
"965488"	342.168651	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-H+NaCOOH"	66.980151
"115488"	310.157902	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+2Cl"	69.938804
"555048"	447.752152	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+2Cl"	69.938804
"1023847"	172.563652	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2Cl"	69.938804
"1245612"	354.107385	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Br"	78.918885
"1305508"	356.163372	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Cl+HCOOH"	80.974872
"1320568"	378.145329	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Cl+NaCOOH"	102.956829
"913337"	388.174086	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M-H+CF3COOH"	112.985586
"1289316"	424.150764	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Cl+CF3COOH"	148.962264
"1382068"	240.175824	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H-2H2O"	-35.012676
"1397741"	258.1858	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H-H2O"	-17.0027
"294150"	551.384276	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+H"	1.007276
"686572"	826.572776	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+H"	1.007276
"1362920"	276.195776	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H"	1.007276
"140186"	276.195776	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+2H"	2.014552
"580111"	413.790026	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+2H"	2.014552
"1039801"	138.601526	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2H"	2.014552
"206971"	184.466276	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+3H"	3.021828
"649448"	276.195776	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+3H"	3.021828
"1169761"	92.736776	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+3H"	3.021828
"433034"	568.410823	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+NH4"	18.033823
"790018"	843.599323	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+NH4"	18.033823
"1686347"	293.222323	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+NH4"	18.033823
"335355"	284.7090495	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+H+NH4"	19.041099
"728869"	422.3032995	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+H+NH4"	19.041099
"1482692"	147.1147995	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H+NH4"	19.041099
"394207"	573.366218	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+Na"	22.989218
"754430"	848.554718	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+Na"	22.989218
"1602931"	298.177718	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Na"	22.989218
"315278"	287.186747	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+H+Na"	23.996494
"707701"	424.780997	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+H+Na"	23.996494
"1461761"	149.592497	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H+Na"	23.996494
"1053428"	100.06409	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2H+Na"	25.00377
"1258147"	308.221986	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+CH3OH+H"	33.033486
"377936"	589.340158	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+K"	38.963158
"740144"	864.528658	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+K"	38.963158
"1540745"	314.151658	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+K"	38.963158
"299742"	295.173717	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+H+K"	39.970434
"692891"	432.767967	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+H+K"	39.970434
"1448901"	157.579467	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H+K"	39.970434
"239688"	592.410826	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+ACN+H"	42.033826
"1215679"	317.222326	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+ACN+H"	42.033826
"1201749"	159.114801	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+ACN+2H"	43.041102
"194619"	595.34816	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+2Na-H"	44.97116
"638554"	870.53666	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+2Na-H"	44.97116
"1137686"	320.15966	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2Na-H"	44.97116
"176965"	298.177718	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+2Na"	45.978436
"615073"	435.771968	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+2Na"	45.978436
"1122954"	160.583468	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2Na"	45.978436
"1406479"	107.391404	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H+2Na"	46.985712
"1438596"	322.201246	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H+HCOOH"	47.012746
"230479"	303.21074	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+3H2O+2H"	56.04448
"1523646"	336.25329	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+IsoProp+H"	61.06479
"422238"	306.164688	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+Na+K"	61.952376
"785634"	443.758938	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+Na+K"	61.952376
"1679927"	168.570438	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Na+K"	61.952376
"264268"	614.392768	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+ACN+Na"	64.015768
"1239163"	339.204268	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+ACN+Na"	64.015768
"1724404"	339.227793	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+NH4+HCOOH"	64.039293
"1190854"	114.718718	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+3Na"	68.967654
"1662205"	344.183188	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Na+HCOOH"	68.994688
"164695"	627.29604	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+2K-H"	76.91904
"606442"	902.48454	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+2K-H"	76.91904
"1095326"	352.10754	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2K-H"	76.91904
"153965"	314.151658	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"2M+2K"	77.926316
"593527"	451.745908	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"3M+2K"	77.926316
"1079134"	176.557408	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2K"	77.926316
"1114777"	354.122092	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2K+H"	78.933592
"1349820"	354.209707	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+DMSO+H"	79.021207
"1019444"	358.248876	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2ACN+H"	83.060376
"1537204"	359.242508	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+IsoProp+Na+H"	84.054008
"1002557"	179.628076	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+2ACN+2H"	84.067652
"1599976"	360.157128	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+K+HCOOH"	84.968628
"1429808"	390.188638	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+H+CF3COOH"	115.000138
"1149361"	200.141351	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+3ACN+2H"	125.094202
"1706567"	407.215185	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+NH4+CF3COOH"	132.026685
"1646602"	412.17058	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+Na+CF3COOH"	136.98208
"1582252"	428.14452	"C09879"	"Lycoflexine"	"C17H25NO2"	"275.1885"	"M+K+CF3COOH"	152.95602
"806056"	136.1252	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M"	0
"987245"	117.10681	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"77313"	89.7428573333333	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"517236"	135.117924	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"894311"	44.3677906666667	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"11425"	135.117924	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"449891"	203.180524	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"826600"	67.055324	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"85498"	271.243124	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"527246"	407.368324	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"899580"	135.117924	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"55047"	288.269671	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"493515"	424.394871	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873503"	152.144471	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"37033"	293.225066	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"479874"	429.350266	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"855855"	157.099866	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1631588"	157.099866	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"101555"	153.106263	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"542215"	221.168863	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"932448"	85.043663	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"276472"	307.219802	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"663425"	443.345002	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1275828"	171.094602	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"19480"	309.199006	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"461227"	445.324206	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"836844"	173.073806	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1562522"	173.073806	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"951498"	181.123394	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"369713"	317.248601	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"350319"	331.264251	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1498058"	195.139051	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"965598"	203.105351	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"117785"	171.094602	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"558438"	239.157202	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1025051"	103.032002	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1246815"	215.044085	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1306106"	217.100072	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1323840"	239.082029	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"917821"	249.110786	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1293436"	285.087464	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1379262"	101.112524	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1394570"	119.1225	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"290980"	273.257676	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"686684"	409.382876	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1361938"	137.132476	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H"	1.007276
"139202"	137.132476	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"579855"	205.195076	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1045376"	69.069876	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"209998"	91.7574093333333	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"649559"	137.132476	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1174245"	46.3823426666667	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"437518"	290.284223	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"788670"	426.409423	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1687184"	154.159023	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"337652"	145.6457495	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"728978"	213.7083495	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1477819"	77.5831495	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"393831"	295.239618	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"755311"	431.364818	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1604019"	159.114418	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"315024"	148.123447	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"708054"	216.186047	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1461753"	80.060847	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1055728"	53.7096566666667	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258013"	169.158686	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"377602"	311.213558	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"739894"	447.338758	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1545595"	175.088358	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+K"	38.963158
"302040"	156.110417	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"695190"	224.173017	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1449377"	88.047817	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"243081"	314.284226	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1216883"	178.159026	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1200766"	89.583151	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"195825"	317.22156	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"638665"	453.34676	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1137799"	181.09636	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"176714"	159.114418	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"620650"	227.177018	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1126344"	91.051818	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1406589"	61.0369706666667	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1440893"	183.137946	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"230589"	164.14744	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1522300"	197.18999	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"421619"	167.101388	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"784077"	235.163988	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1678581"	99.038788	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"263652"	336.266168	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1236724"	200.140968	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1726340"	200.164493	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1189873"	68.3642846666667	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1661589"	205.119888	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"164806"	349.16944	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"612266"	485.29464	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1095802"	213.04424	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"153347"	175.088358	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"595097"	243.150958	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1081797"	107.025758	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1114887"	215.058792	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1349568"	215.146407	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1019435"	219.185576	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1536221"	220.179208	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1004125"	110.096426	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1601180"	221.093828	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1427933"	251.125338	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1149106"	130.609701	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1706677"	268.151885	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1646712"	273.10728	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582362"	289.08122	"C09880"	"alpha-Pinene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"809447"	291.1834	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M"	0
"987355"	272.16501	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-H2O-H"	-19.01839
"77749"	193.114990666667	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M-3H"	-3.021828
"517960"	290.176124	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M-3H"	-3.021828
"894671"	96.0538573333333	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-3H"	-3.021828
"15183"	290.176124	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M-2H"	-2.014552
"455197"	435.767824	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M-2H"	-2.014552
"832182"	144.584424	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-2H"	-2.014552
"92170"	581.359524	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M-H"	-1.007276
"533803"	872.542924	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M-H"	-1.007276
"908804"	290.176124	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-H"	-1.007276
"55157"	598.386071	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M-2H+NH4"	16.019271
"495810"	889.569471	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M-2H+NH4"	16.019271
"869238"	307.202671	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-2H+NH4"	16.019271
"39330"	603.341466	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M-2H+Na"	20.974666
"479984"	894.524866	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M-2H+Na"	20.974666
"854872"	312.158066	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-2H+Na"	20.974666
"1632794"	312.158066	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Na-2H"	20.974666
"101665"	308.164463	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M-H+Cl"	33.962126
"546698"	453.756163	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M-H+Cl"	33.962126
"935839"	162.572763	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-H+Cl"	33.962126
"276582"	617.336202	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+Cl"	34.969402
"666083"	908.519602	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+Cl"	34.969402
"1277031"	326.152802	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Cl"	34.969402
"22869"	619.315406	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M-2H+K"	36.948606
"458418"	910.498806	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M-2H+K"	36.948606
"834767"	328.132006	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-2H+K"	36.948606
"1562632"	328.132006	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+K-2H"	36.948606
"951608"	336.181594	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-H+HCOOH"	44.998194
"370916"	627.365001	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+HCOOH-H"	44.998201
"356989"	641.380651	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+Hac-H"	59.013851
"1499260"	350.197251	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Hac-H"	59.013851
"967895"	358.163551	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-H+NaCOOH"	66.980151
"114615"	326.152802	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+2Cl"	69.938804
"559641"	471.744502	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+2Cl"	69.938804
"1026253"	180.561102	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2Cl"	69.938804
"1245832"	370.102285	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Br"	78.918885
"1306095"	372.158272	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Cl+HCOOH"	80.974872
"1322498"	394.140229	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Cl+NaCOOH"	102.956829
"919026"	404.168986	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M-H+CF3COOH"	112.985586
"1293545"	440.145664	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Cl+CF3COOH"	148.962264
"1380103"	256.170724	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H-2H2O"	-35.012676
"1392491"	274.1807	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H-H2O"	-17.0027
"296193"	583.374076	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+H"	1.007276
"684604"	874.557476	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+H"	1.007276
"1359861"	292.190676	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H"	1.007276
"136396"	292.190676	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+2H"	2.014552
"575228"	437.782376	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+2H"	2.014552
"1041114"	146.598976	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2H"	2.014552
"207191"	195.129542666667	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+3H"	3.021828
"646751"	292.190676	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+3H"	3.021828
"1171075"	98.0684093333333	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+3H"	3.021828
"432158"	600.400623	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+NH4"	18.033823
"789143"	891.584023	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+NH4"	18.033823
"1691670"	309.217223	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+NH4"	18.033823
"339949"	300.7039495	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+H+NH4"	19.041099
"736013"	446.2956495	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+H+NH4"	19.041099
"1488374"	155.1122495	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H+NH4"	19.041099
"403775"	605.356018	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+Na"	22.989218
"756758"	896.539418	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+Na"	22.989218
"1605222"	314.172618	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Na"	22.989218
"316351"	303.181647	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+H+Na"	23.996494
"710959"	448.773347	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+H+Na"	23.996494
"1461861"	157.589947	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H+Na"	23.996494
"1053774"	105.395723333333	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2H+Na"	25.00377
"1258612"	324.216886	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+CH3OH+H"	33.033486
"378275"	621.329958	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+K"	38.963158
"741827"	912.513358	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+K"	38.963158
"1542787"	330.146558	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+K"	38.963158
"301056"	311.168617	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+H+K"	39.970434
"697487"	456.760317	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+H+K"	39.970434
"1451308"	165.576917	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H+K"	39.970434
"243190"	624.400626	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+ACN+H"	42.033826
"1214807"	333.217226	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+ACN+H"	42.033826
"1200878"	167.112251	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+ACN+2H"	43.041102
"195935"	627.33796	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+2Na-H"	44.97116
"641935"	918.52136	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+2Na-H"	44.97116
"1143376"	336.15456	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2Na-H"	44.97116
"185574"	314.172618	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+2Na"	45.978436
"625134"	459.764318	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+2Na"	45.978436
"1123173"	168.580918	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2Na"	45.978436
"1412166"	112.723037333333	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H+2Na"	46.985712
"1438814"	338.196146	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H+HCOOH"	47.012746
"229604"	319.20564	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+3H2O+2H"	56.04448
"1519853"	352.24819	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+IsoProp+H"	61.06479
"421366"	322.159588	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+Na+K"	61.952376
"783823"	467.751288	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+Na+K"	61.952376
"1677600"	176.567888	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Na+K"	61.952376
"265222"	646.382568	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+ACN+Na"	64.015768
"1237930"	355.199168	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+ACN+Na"	64.015768
"1724629"	355.222693	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+NH4+HCOOH"	64.039293
"1191078"	120.050351333333	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+3Na"	68.967654
"1662065"	360.178088	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Na+HCOOH"	68.994688
"163822"	659.28584	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+2K-H"	76.91904
"606664"	950.46924	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+2K-H"	76.91904
"1094092"	368.10244	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2K-H"	76.91904
"153457"	330.146558	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"2M+2K"	77.926316
"594111"	475.738258	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"3M+2K"	77.926316
"1081906"	184.554858	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2K"	77.926316
"1110377"	370.116992	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2K+H"	78.933592
"1347128"	370.204607	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+DMSO+H"	79.021207
"1020155"	374.243776	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2ACN+H"	83.060376
"1537426"	375.237408	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+IsoProp+Na+H"	84.054008
"1000955"	187.625526	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+2ACN+2H"	84.067652
"1596916"	376.152028	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+K+HCOOH"	84.968628
"1428045"	406.183538	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+H+CF3COOH"	115.000138
"1159423"	208.138801	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+3ACN+2H"	125.094202
"1705694"	423.210085	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+NH4+CF3COOH"	132.026685
"1636977"	428.16548	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+Na+CF3COOH"	136.98208
"1575910"	444.13942	"C09881"	"Lyconnotine"	"C17H25NO3"	"291.1834"	"M+K+CF3COOH"	152.95602
"806276"	136.1252	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M"	0
"989490"	117.10681	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"78545"	89.7428573333333	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"518439"	135.117924	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"895395"	44.3677906666667	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"14199"	135.117924	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"454487"	203.180524	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"831926"	67.055324	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"93009"	271.243124	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"533951"	407.368324	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"910371"	135.117924	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"62078"	288.269671	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"493733"	424.394871	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873721"	152.144471	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"39440"	293.225066	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"476815"	429.350266	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"862278"	157.099866	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1631808"	157.099866	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"108342"	153.106263	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"547537"	221.168863	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"938136"	85.043663	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"278879"	307.219802	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"665832"	443.345002	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1281516"	171.094602	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"25165"	309.199006	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"461447"	445.324206	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"834877"	173.073806	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1563834"	173.073806	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"952811"	181.123394	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"373212"	317.248601	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"351632"	331.264251	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1499370"	195.139051	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"970192"	203.105351	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"118005"	171.094602	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"557564"	239.157202	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1025270"	103.032002	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1244119"	215.044085	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1307298"	217.100072	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1323701"	239.082029	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"918040"	249.110786	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1292561"	285.087464	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1378386"	101.112524	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1390414"	119.1225	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"296666"	273.257676	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"685807"	409.382876	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1362157"	137.132476	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H"	1.007276
"139056"	137.132476	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"579710"	205.195076	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1044503"	69.069876	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"208394"	91.7574093333333	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"647955"	137.132476	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1166082"	46.3823426666667	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"433361"	290.284223	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"793263"	426.409423	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1689591"	154.159023	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"340057"	145.6457495	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"732478"	213.7083495	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1487028"	77.5831495	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"402792"	295.239618	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"756868"	431.364818	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1610799"	159.114418	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"317554"	148.123447	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"711069"	216.186047	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462335"	80.060847	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1057042"	53.7096566666667	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1260908"	169.158686	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"379483"	311.213558	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"741573"	447.338758	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1541440"	175.088358	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+K"	38.963158
"299829"	156.110417	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"697597"	224.173017	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1450325"	88.047817	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"241112"	314.284226	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1218196"	178.159026	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1204267"	89.583151	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"200419"	317.22156	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"643387"	453.34676	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1140206"	181.09636	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"183497"	159.114418	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"626337"	227.177018	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1126563"	91.051818	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1413369"	61.0369706666667	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1440018"	183.137946	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"231900"	164.14744	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1522151"	197.18999	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"419649"	167.101388	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"784295"	235.163988	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1680017"	99.038788	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"264239"	336.266168	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1238405"	200.140968	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1725102"	200.164493	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1186812"	68.3642846666667	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1663269"	205.119888	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"166120"	349.16944	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"606409"	485.29464	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1095295"	213.04424	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"153933"	175.088358	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"594587"	243.150958	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1082381"	107.025758	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1111581"	215.058792	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1349791"	215.146407	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1019412"	219.185576	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1534983"	220.179208	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1003618"	110.096426	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1597026"	221.093828	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1423778"	251.125338	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1157347"	130.609701	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1705804"	268.151885	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1639274"	273.10728	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1576020"	289.08122	"C09882"	"beta-Pinene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"803106"	247.1936	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M"	0
"974247"	228.17521	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-H2O-H"	-19.01839
"76916"	163.788457333333	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M-3H"	-3.021828
"517855"	246.186324	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M-3H"	-3.021828
"895010"	81.3905906666667	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-3H"	-3.021828
"13580"	246.186324	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M-2H"	-2.014552
"454842"	369.783124	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M-2H"	-2.014552
"829850"	122.589524	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-2H"	-2.014552
"92390"	493.379924	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M-H"	-1.007276
"532559"	740.573524	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M-H"	-1.007276
"909751"	246.186324	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-H"	-1.007276
"58659"	510.406471	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M-2H+NH4"	16.019271
"493843"	757.600071	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M-2H+NH4"	16.019271
"873831"	263.212871	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-2H+NH4"	16.019271
"36270"	515.361866	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M-2H+Na"	20.974666
"476926"	762.555466	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M-2H+Na"	20.974666
"863843"	268.168266	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-2H+Na"	20.974666
"1631918"	268.168266	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Na-2H"	20.974666
"108450"	264.174663	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M-H+Cl"	33.962126
"545827"	387.771463	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M-H+Cl"	33.962126
"940435"	140.577863	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-H+Cl"	33.962126
"278989"	529.356602	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+Cl"	34.969402
"669222"	776.550202	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+Cl"	34.969402
"1279440"	282.163002	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Cl"	34.969402
"26370"	531.335806	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M-2H+K"	36.948606
"461558"	778.529406	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M-2H+K"	36.948606
"837173"	284.142206	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-2H+K"	36.948606
"1562851"	284.142206	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+K-2H"	36.948606
"951828"	292.191794	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-H+HCOOH"	44.998194
"372229"	539.385401	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+HCOOH-H"	44.998201
"352835"	553.401051	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+Hac-H"	59.013851
"1496200"	306.207451	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Hac-H"	59.013851
"970302"	314.173751	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-H+NaCOOH"	66.980151
"118115"	282.163002	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+2Cl"	69.938804
"556580"	405.759802	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+2Cl"	69.938804
"1026473"	158.566202	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2Cl"	69.938804
"1244228"	326.112485	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Br"	78.918885
"1307408"	328.168472	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Cl+HCOOH"	80.974872
"1324904"	350.150429	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Cl+NaCOOH"	102.956829
"918150"	360.179186	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M-H+CF3COOH"	112.985586
"1294858"	396.155864	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Cl+CF3COOH"	148.962264
"1376309"	212.180924	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H-2H2O"	-35.012676
"1387244"	230.1909	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H-H2O"	-17.0027
"287299"	495.394476	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+H"	1.007276
"683729"	742.588076	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+H"	1.007276
"1361172"	248.200876	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H"	1.007276
"135158"	248.200876	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+2H"	2.014552
"576176"	371.797676	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+2H"	2.014552
"1043519"	124.604076	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2H"	2.014552
"208505"	165.803009333333	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+3H"	3.021828
"646241"	248.200876	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+3H"	3.021828
"1166920"	83.4051426666667	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+3H"	3.021828
"430191"	512.421023	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+NH4"	18.033823
"791186"	759.614623	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+NH4"	18.033823
"1684599"	265.227423	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+NH4"	18.033823
"336889"	256.7141495	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+H+NH4"	19.041099
"728214"	380.3109495	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+H+NH4"	19.041099
"1484222"	133.1173495	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H+NH4"	19.041099
"401809"	517.376418	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+Na"	22.989218
"759528"	764.570018	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+Na"	22.989218
"1605444"	270.182818	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Na"	22.989218
"317669"	259.191847	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+H+Na"	23.996494
"707531"	382.788647	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+H+Na"	23.996494
"1462203"	135.595047	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H+Na"	23.996494
"1055329"	90.7324566666667	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2H+Na"	25.00377
"1259925"	280.227086	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+CH3OH+H"	33.033486
"377770"	533.350358	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+K"	38.963158
"738806"	780.543958	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+K"	38.963158
"1542643"	286.156758	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+K"	38.963158
"300184"	267.178817	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+H+K"	39.970434
"695521"	390.775617	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+H+K"	39.970434
"1449341"	143.582017	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H+K"	39.970434
"240128"	536.421026	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+ACN+H"	42.033826
"1216119"	289.227426	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+ACN+H"	42.033826
"1200002"	145.117351	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+ACN+2H"	43.041102
"196156"	539.35836	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+2Na-H"	44.97116
"635717"	786.55196	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+2Na-H"	44.97116
"1140317"	292.16476	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2Na-H"	44.97116
"182514"	270.182818	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+2Na"	45.978436
"623168"	393.779618	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+2Na"	45.978436
"1129470"	146.586018	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2Na"	45.978436
"1413604"	98.0597706666667	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H+2Na"	46.985712
"1442315"	294.206346	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H+HCOOH"	47.012746
"234199"	275.21584	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+3H2O+2H"	56.04448
"1521167"	308.25839	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+IsoProp+H"	61.06479
"422930"	278.169788	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+Na+K"	61.952376
"785178"	401.766588	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+Na+K"	61.952376
"1681079"	154.572988	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Na+K"	61.952376
"264346"	558.402968	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+ACN+Na"	64.015768
"1239605"	311.209368	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+ACN+Na"	64.015768
"1724120"	311.232893	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+NH4+HCOOH"	64.039293
"1186194"	105.387084666667	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+3Na"	68.967654
"1660462"	316.188288	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Na+HCOOH"	68.994688
"164042"	571.30624	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+2K-H"	76.91904
"604695"	818.49984	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+2K-H"	76.91904
"1096866"	324.11264	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2K-H"	76.91904
"150399"	286.156758	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"2M+2K"	77.926316
"593241"	409.753558	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"3M+2K"	77.926316
"1081765"	162.559958	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2K"	77.926316
"1104400"	326.127192	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2K+H"	78.933592
"1348439"	326.214807	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+DMSO+H"	79.021207
"1018063"	330.253976	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2ACN+H"	83.060376
"1536186"	331.247608	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+IsoProp+Na+H"	84.054008
"1003727"	165.630626	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+2ACN+2H"	84.067652
"1601510"	332.162228	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+K+HCOOH"	84.968628
"1428630"	362.193738	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+H+CF3COOH"	115.000138
"1154178"	186.143901	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+3ACN+2H"	125.094202
"1704822"	379.220285	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+NH4+CF3COOH"	132.026685
"1637198"	384.17568	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+Na+CF3COOH"	136.98208
"1572119"	400.14962	"C09883"	"Lycopodine"	"C16H25NO"	"247.1936"	"M+K+CF3COOH"	152.95602
"803216"	150.1045	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M"	0
"975288"	131.08611	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"77751"	99.0623906666667	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"516586"	149.097224	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"895244"	49.0275573333333	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"15280"	149.097224	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"449242"	224.149474	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"831052"	74.044974	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"92015"	299.201724	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"529510"	449.306224	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"907674"	149.097224	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"59498"	316.228271	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"499423"	466.332771	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"873941"	166.123771	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"34193"	321.183666	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"480316"	471.288166	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"861401"	171.079166	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1630814"	171.079166	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"107464"	167.085563	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"539376"	242.137813	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"939450"	92.033313	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"274725"	335.178402	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"668240"	485.282902	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1280643"	185.073902	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"26480"	337.157606	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"461668"	487.262106	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"835097"	187.053106	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1562961"	187.053106	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"954124"	195.102694	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"373432"	345.207201	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"352945"	359.222851	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1497403"	209.118351	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"963850"	217.084651	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"118225"	185.073902	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"555596"	260.126152	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1024762"	110.021652	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1244339"	229.023385	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1307517"	231.079372	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1323920"	253.061329	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"916074"	263.090086	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1293144"	299.066764	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1378606"	115.091824	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1390634"	133.1018	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"286679"	301.216276	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"682745"	451.320776	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1361281"	151.111776	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"137089"	151.111776	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"575919"	226.164026	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1045816"	76.059526	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"209344"	101.076942666667	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"651090"	151.111776	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1165207"	51.0421093333333	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"431394"	318.242823	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"791295"	468.347323	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1686532"	168.138323	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"338092"	159.6250495	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"731605"	234.6772995	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1483239"	84.5727995	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"400826"	323.198218	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"760726"	473.302718	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1602747"	173.093718	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"318872"	162.102747	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"707088"	237.154997	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1461352"	87.050497	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1056533"	58.3694233333333	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1261128"	183.137986	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"378244"	339.172158	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"739605"	489.276658	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1540241"	189.067658	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"301387"	170.089717	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"695631"	245.141967	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1447265"	95.037467	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"240242"	342.242826	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1214042"	192.138326	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1200114"	96.572801	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"192984"	345.18016	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"641293"	495.28466	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1138239"	195.07566	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"177520"	173.093718	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"617811"	248.145968	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1128246"	98.041468	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1413231"	65.6967373333333	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1441335"	197.117246	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"233946"	178.12674	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1522006"	211.16929	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"422794"	181.080688	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"783429"	256.132938	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1680363"	106.028438	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"262634"	364.224768	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1240443"	214.120268	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1726414"	214.143793	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1186302"	73.0240513333333	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1657290"	219.099188	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"161966"	377.12804	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"604808"	527.23254	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1096974"	227.02354	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"151604"	189.067658	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"594445"	264.119908	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1081146"	114.015408	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1104510"	229.038092	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1345270"	229.125707	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1017079"	233.164876	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1534110"	234.158508	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1003474"	117.086076	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1600528"	235.073128	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1428374"	265.104638	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1155381"	137.599351	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1706025"	282.131185	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1636215"	287.08658	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1571865"	303.06052	"C09884"	"Pinocarvone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"809887"	152.1201	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M"	0
"975154"	133.10171	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"69476"	100.406124	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"516690"	151.112824	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"895109"	49.699424	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"14899"	151.112824	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"454694"	227.172874	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"831529"	75.052774	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"86050"	303.232924	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"524516"	455.353024	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"904503"	151.112824	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"53412"	320.259471	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"499534"	472.379571	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"874051"	168.139371	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"32478"	325.214866	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"478239"	477.334966	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"861511"	173.094766	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1629952"	173.094766	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"107453"	169.101163	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"544954"	245.161213	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"938466"	93.041113	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"273743"	339.209602	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"665070"	491.329702	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1276742"	187.089502	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"19299"	341.188806	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"458497"	493.308906	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"834114"	189.068706	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1563071"	189.068706	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"950954"	197.118294	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"371356"	349.238401	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"351962"	363.254051	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1497148"	211.133951	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"961044"	219.100251	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"115056"	187.089502	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"554614"	263.149552	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1025964"	111.029452	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1245178"	231.038985	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1306533"	233.094972	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1323302"	255.076929	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"912537"	265.105686	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1295080"	301.082364	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1379809"	117.107424	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1390744"	135.1174	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"292623"	305.247476	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"686137"	457.367576	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1358111"	153.127376	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"137198"	153.127376	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"576029"	229.187426	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1045927"	77.067326	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"211642"	102.420676	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"653387"	153.127376	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1167139"	51.713976	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"429317"	322.274023	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"792500"	474.394123	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1691017"	170.153923	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"341482"	161.6406495	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"730623"	237.7006995	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1485538"	85.5805995	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"403122"	327.229418	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"760836"	479.349518	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1604562"	175.109318	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"316787"	164.118347	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"707543"	240.178397	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1461565"	88.058297	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1052952"	59.04129	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1257470"	185.153586	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"377333"	343.203358	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"739352"	495.323458	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1540005"	191.083258	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"299311"	172.105317	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"692825"	248.165367	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1447374"	96.045267	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"235979"	346.274026	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1211965"	194.153926	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1200225"	97.580601	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"196376"	349.21136	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"638124"	501.33146	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1133977"	197.09126	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"175445"	175.109318	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"617558"	251.169368	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1129328"	99.049268	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1412730"	66.368604	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1442785"	199.132846	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"232233"	180.14234	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1521389"	213.18489	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"423025"	183.096288	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"783902"	259.156338	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1679378"	107.036238	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"262745"	368.255968	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1239096"	216.135868	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1725432"	216.159393	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1184226"	73.695918	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1655214"	221.114788	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"163169"	381.15924	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"602729"	533.27934	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1091616"	229.03914	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"150620"	191.083258	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"593461"	267.143308	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1083199"	115.023208	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1104619"	231.053692	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1346473"	231.141307	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1019377"	235.180476	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1538352"	236.174108	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1005538"	118.093876	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1600639"	237.088728	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1428484"	267.120238	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1157677"	138.607151	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1710508"	284.146785	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1638512"	289.10218	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1576350"	305.07612	"C09885"	"()-Piperitone;d-Piperitone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"816197"	275.1885	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M"	0
"988634"	256.17011	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-H2O-H"	-19.01839
"77242"	182.451724	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M-3H"	-3.021828
"515713"	274.181224	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M-3H"	-3.021828
"893517"	90.722224	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-3H"	-3.021828
"14641"	274.181224	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M-2H"	-2.014552
"452744"	411.775474	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M-2H"	-2.014552
"832245"	136.586974	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-2H"	-2.014552
"93085"	549.369724	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M-H"	-1.007276
"531186"	824.558224	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M-H"	-1.007276
"904616"	274.181224	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-H"	-1.007276
"58991"	566.396271	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M-2H+NH4"	16.019271
"499644"	841.584771	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M-2H+NH4"	16.019271
"871975"	291.207771	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-2H+NH4"	16.019271
"32219"	571.351666	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M-2H+Na"	20.974666
"482724"	846.540166	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M-2H+Na"	20.974666
"861623"	296.163166	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-2H+Na"	20.974666
"1631157"	296.163166	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Na-2H"	20.974666
"105501"	292.169563	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M-H+Cl"	33.962126
"545794"	429.763813	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M-H+Cl"	33.962126
"939670"	154.575313	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-H+Cl"	33.962126
"274948"	585.346402	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+Cl"	34.969402
"668460"	860.534902	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+Cl"	34.969402
"1277585"	310.157902	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Cl"	34.969402
"20141"	587.325606	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M-2H+K"	36.948606
"462983"	862.514106	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M-2H+K"	36.948606
"842974"	312.137106	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-2H+K"	36.948606
"1567557"	312.137106	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+K-2H"	36.948606
"953253"	320.186694	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-H+HCOOH"	44.998194
"375114"	595.375201	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+HCOOH-H"	44.998201
"354259"	609.390851	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+Hac-H"	59.013851
"1503090"	334.202351	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Hac-H"	59.013851
"966257"	342.168651	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-H+NaCOOH"	66.980151
"118446"	310.157902	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+2Cl"	69.938804
"559099"	447.752152	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+2Cl"	69.938804
"1028990"	172.563652	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2Cl"	69.938804
"1248568"	354.107385	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Br"	78.918885
"1307737"	356.163372	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Cl+HCOOH"	80.974872
"1324141"	378.145329	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Cl+NaCOOH"	102.956829
"915201"	388.174086	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M-H+CF3COOH"	112.985586
"1296285"	424.150764	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Cl+CF3COOH"	148.962264
"1379918"	240.175824	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H-2H2O"	-35.012676
"1390854"	258.1858	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H-H2O"	-17.0027
"286535"	551.384276	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+H"	1.007276
"680779"	826.572776	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+H"	1.007276
"1358221"	276.195776	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H"	1.007276
"137672"	276.195776	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+2H"	2.014552
"575045"	413.790026	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+2H"	2.014552
"1048223"	138.601526	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2H"	2.014552
"213938"	184.466276	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+3H"	3.021828
"655321"	276.195776	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+3H"	3.021828
"1172716"	92.736776	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+3H"	3.021828
"431615"	568.410823	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+NH4"	18.033823
"795890"	843.599323	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+NH4"	18.033823
"1692220"	293.222323	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+NH4"	18.033823
"343415"	284.7090495	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+H+NH4"	19.041099
"735836"	422.3032995	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+H+NH4"	19.041099
"1487830"	147.1147995	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H+NH4"	19.041099
"403232"	573.366218	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+Na"	22.989218
"764226"	848.554718	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+Na"	22.989218
"1611231"	298.177718	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Na"	22.989218
"319083"	287.186747	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+H+Na"	23.996494
"707620"	424.780997	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+H+Na"	23.996494
"1461716"	149.592497	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H+Na"	23.996494
"1052822"	100.06409	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2H+Na"	25.00377
"1257580"	308.221986	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+CH3OH+H"	33.033486
"377288"	589.340158	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+K"	38.963158
"739826"	864.528658	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+K"	38.963158
"1539972"	314.151658	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+K"	38.963158
"300515"	295.173717	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+H+K"	39.970434
"692939"	432.767967	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+H+K"	39.970434
"1448580"	157.579467	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H+K"	39.970434
"237546"	592.410826	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+ACN+H"	42.033826
"1214262"	317.222326	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+ACN+H"	42.033826
"1196689"	159.114801	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+ACN+2H"	43.041102
"191384"	595.34816	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+2Na-H"	44.97116
"632767"	870.53666	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+2Na-H"	44.97116
"1133724"	320.15966	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2Na-H"	44.97116
"183943"	298.177718	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+2Na"	45.978436
"626057"	435.771968	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+2Na"	45.978436
"1129802"	160.583468	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2Na"	45.978436
"1412841"	107.391404	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H+2Na"	46.985712
"1443379"	322.201246	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H+HCOOH"	47.012746
"234046"	303.21074	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+3H2O+2H"	56.04448
"1523203"	336.25329	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+IsoProp+H"	61.06479
"421194"	306.164688	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+Na+K"	61.952376
"783646"	443.758938	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+Na+K"	61.952376
"1678520"	168.570438	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Na+K"	61.952376
"264312"	614.392768	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+ACN+Na"	64.015768
"1238842"	339.204268	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+ACN+Na"	64.015768
"1726271"	339.227793	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+NH4+HCOOH"	64.039293
"1184336"	114.718718	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+3Na"	68.967654
"1659699"	344.183188	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Na+HCOOH"	68.994688
"164370"	627.29604	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+2K-H"	76.91904
"606119"	902.48454	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+2K-H"	76.91904
"1092820"	352.10754	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2K-H"	76.91904
"149637"	314.151658	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"2M+2K"	77.926316
"595759"	451.745908	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"3M+2K"	77.926316
"1081363"	176.557408	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2K"	77.926316
"1102541"	354.122092	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2K+H"	78.933592
"1346584"	354.209707	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+DMSO+H"	79.021207
"1016206"	358.248876	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2ACN+H"	83.060376
"1529958"	359.242508	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+IsoProp+Na+H"	84.054008
"998590"	179.628076	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+2ACN+2H"	84.067652
"1598561"	360.157128	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+K+HCOOH"	84.968628
"1426408"	390.188638	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+H+CF3COOH"	115.000138
"1155603"	200.141351	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+3ACN+2H"	125.094202
"1705151"	407.215185	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+NH4+CF3COOH"	132.026685
"1638622"	412.17058	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+Na+CF3COOH"	136.98208
"1583022"	428.14452	"C09886"	"Magellanine"	"C17H25NO2"	"275.1885"	"M+K+CF3COOH"	152.95602
"816680"	166.0994	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M"	0
"986921"	147.08101	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"75171"	109.725657333333	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"516916"	165.092124	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"893626"	54.3591906666667	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"14267"	165.092124	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"452733"	248.141824	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"829558"	82.042424	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"86269"	331.191524	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"521091"	497.290924	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"902537"	165.092124	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"55818"	348.218071	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"497565"	514.317471	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"869900"	182.118671	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"32452"	353.173466	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"482834"	519.272866	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"859545"	187.074066	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1631267"	187.074066	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"107800"	183.080463	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"546267"	266.130163	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"939777"	100.030763	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"276151"	367.168202	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"670757"	533.267602	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1279883"	201.068802	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"24625"	369.147406	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"466373"	535.246806	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"840894"	203.048006	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1565480"	203.048006	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"956644"	211.097594	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"375590"	377.197001	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"355464"	391.212651	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1498829"	225.113251	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"964183"	233.079551	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"116370"	201.068802	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"561397"	284.118502	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1029103"	118.019102	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1244308"	245.018285	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1307849"	247.074272	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1323157"	269.056229	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"918594"	279.084986	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1294209"	315.061664	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1377844"	131.086724	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1390967"	149.0967	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"288831"	333.206076	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"680889"	499.305476	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1359425"	167.106676	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"133408"	167.106676	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"572967"	250.156376	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1047606"	84.056976	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"215141"	111.740209333333	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"657980"	167.106676	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1176834"	56.3737426666667	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"435732"	350.232623	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"796000"	516.332023	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1693424"	184.133223	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"339516"	175.6199495	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"734123"	258.6696495	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1487943"	92.5702495	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"401156"	355.188018	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"763244"	521.287418	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1609156"	189.088618	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"318100"	178.097647	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"710521"	261.147347	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1464349"	95.047947	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1054681"	63.7010566666667	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1257093"	199.132886	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"377430"	371.161958	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"738716"	537.261358	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1540403"	205.062558	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"300622"	186.084617	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"693413"	269.134317	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1447961"	103.034917	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"236683"	374.232626	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1212551"	208.133226	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1198262"	104.570251	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"193319"	377.16996	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"633974"	543.26936	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1137482"	211.07056	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"185878"	189.088618	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"624708"	272.138318	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1129553"	106.038918	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1412834"	71.0283706666667	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1444221"	213.112146	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"232457"	194.12164	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1523439"	227.16419	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"422883"	197.075588	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"783878"	280.125288	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1680573"	114.025888	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"264058"	396.214568	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1237861"	230.115168	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1727354"	230.138693	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1183354"	78.3556846666667	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1655432"	235.094088	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"159014"	409.11784	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"605136"	575.21724	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1088555"	243.01844	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"146465"	205.062558	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"587119"	288.112258	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1083175"	122.012858	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1114440"	245.032992	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1346694"	245.120607	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1007564"	249.159776	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1535532"	250.153408	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"995418"	125.083526	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1589920"	251.068028	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1424329"	281.099538	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1156803"	145.596801	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1701981"	298.126085	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1645296"	303.08148	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1583132"	319.05542	"C09887"	"Piquerol A"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"806936"	331.2147	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M"	0
"987031"	312.19631	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-H2O-H"	-19.01839
"75282"	219.802524	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M-3H"	-3.021828
"518083"	330.207424	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M-3H"	-3.021828
"894464"	109.397624	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-3H"	-3.021828
"15510"	330.207424	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M-2H"	-2.014552
"453327"	495.814774	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M-2H"	-2.014552
"832223"	164.600074	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-2H"	-2.014552
"92575"	661.422124	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M-H"	-1.007276
"523752"	992.636824	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M-H"	-1.007276
"902647"	330.207424	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-H"	-1.007276
"58844"	678.448671	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M-2H+NH4"	16.019271
"497675"	1009.663371	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M-2H+NH4"	16.019271
"868917"	347.233971	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-2H+NH4"	16.019271
"33538"	683.404066	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M-2H+Na"	20.974666
"472853"	1014.618766	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M-2H+Na"	20.974666
"858557"	352.189366	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-2H+Na"	20.974666
"1631377"	352.189366	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Na-2H"	20.974666
"109003"	348.195763	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M-H+Cl"	33.962126
"548446"	513.803113	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M-H+Cl"	33.962126
"940616"	182.588413	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-H+Cl"	33.962126
"277354"	697.398802	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+Cl"	34.969402
"674147"	1028.613502	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+Cl"	34.969402
"1281086"	366.184102	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Cl"	34.969402
"24735"	699.378006	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M-2H+K"	36.948606
"462110"	1030.592706	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M-2H+K"	36.948606
"841004"	368.163306	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-2H+K"	36.948606
"1566683"	368.163306	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+K-2H"	36.948606
"951287"	376.212894	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-H+HCOOH"	44.998194
"374970"	707.427601	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+HCOOH-H"	44.998201
"355574"	721.443251	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+Hac-H"	59.013851
"1501126"	390.228551	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Hac-H"	59.013851
"967573"	398.194851	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-H+NaCOOH"	66.980151
"121947"	366.184102	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+2Cl"	69.938804
"561507"	531.791452	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+2Cl"	69.938804
"1029213"	200.576752	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2Cl"	69.938804
"1247698"	410.133585	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Br"	78.918885
"1310146"	412.189572	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Cl+HCOOH"	80.974872
"1326546"	434.171529	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Cl+NaCOOH"	102.956829
"919797"	444.200286	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M-H+CF3COOH"	112.985586
"1294319"	480.176964	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Cl+CF3COOH"	148.962264
"1380141"	296.202024	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H-2H2O"	-35.012676
"1395451"	314.212	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H-H2O"	-17.0027
"287485"	663.436676	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+H"	1.007276
"683185"	994.651376	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+H"	1.007276
"1362815"	332.221976	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H"	1.007276
"134611"	332.221976	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+2H"	2.014552
"577449"	497.829326	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+2H"	2.014552
"1049536"	166.614626	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2H"	2.014552
"215251"	221.817076	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+3H"	3.021828
"655902"	332.221976	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+3H"	3.021828
"1177673"	111.412176	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+3H"	3.021828
"439246"	680.463223	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+NH4"	18.033823
"798296"	1011.677923	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+NH4"	18.033823
"1695720"	349.248523	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+NH4"	18.033823
"342906"	340.7352495	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+H+NH4"	19.041099
"736419"	506.3425995	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+H+NH4"	19.041099
"1489146"	175.1278995	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H+NH4"	19.041099
"404545"	685.418618	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+Na"	22.989218
"765541"	1016.633318	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+Na"	22.989218
"1611452"	354.203918	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Na"	22.989218
"320397"	343.212947	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+H+Na"	23.996494
"716097"	508.820297	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+H+Na"	23.996494
"1465552"	177.605597	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H+Na"	23.996494
"1055153"	118.73949	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2H+Na"	25.00377
"1257230"	364.248186	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+CH3OH+H"	33.033486
"377585"	701.392558	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+K"	38.963158
"740776"	1032.607258	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+K"	38.963158
"1540273"	370.177858	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+K"	38.963158
"300731"	351.199917	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+H+K"	39.970434
"693886"	516.807267	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+H+K"	39.970434
"1448069"	185.592567	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H+K"	39.970434
"242870"	704.463226	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+ACN+H"	42.033826
"1212660"	373.248526	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+ACN+H"	42.033826
"1199465"	187.127901	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+ACN+2H"	43.041102
"194523"	707.40056	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+2Na-H"	44.97116
"634084"	1038.61526	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+2Na-H"	44.97116
"1136499"	376.18586	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2Na-H"	44.97116
"187447"	354.203918	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+2Na"	45.978436
"625912"	519.811268	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+2Na"	45.978436
"1128325"	188.596568	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2Na"	45.978436
"1413671"	126.066804	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H+2Na"	46.985712
"1444694"	378.227446	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H+HCOOH"	47.012746
"232567"	359.23694	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+3H2O+2H"	56.04448
"1523912"	392.27949	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+IsoProp+H"	61.06479
"422507"	362.190888	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+Na+K"	61.952376
"784595"	527.798238	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+Na+K"	61.952376
"1680805"	196.583538	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Na+K"	61.952376
"259798"	726.445168	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+ACN+Na"	64.015768
"1235785"	395.230468	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+ACN+Na"	64.015768
"1727830"	395.253993	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+NH4+HCOOH"	64.039293
"1186746"	133.394118	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+3Na"	68.967654
"1659919"	400.209388	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Na+HCOOH"	68.994688
"162768"	739.34844	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+2K-H"	76.91904
"606341"	1070.56314	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+2K-H"	76.91904
"1095227"	408.13374	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2K-H"	76.91904
"150950"	370.177858	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"2M+2K"	77.926316
"595978"	535.785208	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"3M+2K"	77.926316
"1083778"	204.570508	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2K"	77.926316
"1114429"	410.148292	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2K+H"	78.933592
"1347896"	410.235907	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+DMSO+H"	79.021207
"1015331"	414.275076	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2ACN+H"	83.060376
"1535642"	415.268708	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+IsoProp+Na+H"	84.054008
"1003184"	207.641176	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+2ACN+2H"	84.067652
"1597685"	416.183328	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+K+HCOOH"	84.968628
"1425533"	446.214838	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+H+CF3COOH"	115.000138
"1158008"	228.154451	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+3ACN+2H"	125.094202
"1703184"	463.241385	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+NH4+CF3COOH"	132.026685
"1642126"	468.19678	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+Na+CF3COOH"	136.98208
"1583242"	484.17072	"C09888"	"Megastachine"	"C20H29NO3"	"331.2147"	"M+K+CF3COOH"	152.95602
"801397"	274.2045	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M"	0
"986048"	255.18611	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-H2O-H"	-19.01839
"73206"	181.795724	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M-3H"	-3.021828
"516409"	273.197224	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M-3H"	-3.021828
"892753"	90.394224	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-3H"	-3.021828
"14241"	273.197224	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M-2H"	-2.014552
"455261"	410.299474	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M-2H"	-2.014552
"830875"	136.094974	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-2H"	-2.014552
"90864"	547.401724	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M-H"	-1.007276
"529331"	821.606224	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M-H"	-1.007276
"907862"	273.197224	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-H"	-1.007276
"57133"	564.428271	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M-2H+NH4"	16.019271
"495600"	838.632771	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M-2H+NH4"	16.019271
"866840"	290.223771	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-2H+NH4"	16.019271
"33648"	569.383666	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M-2H+Na"	20.974666
"471787"	843.588166	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M-2H+Na"	20.974666
"858667"	295.179166	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-2H+Na"	20.974666
"1632583"	295.179166	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Na-2H"	20.974666
"109519"	291.185563	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M-H+Cl"	33.962126
"545394"	428.287813	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M-H+Cl"	33.962126
"942511"	154.083313	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-H+Cl"	33.962126
"277464"	583.378402	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+Cl"	34.969402
"670979"	857.582902	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+Cl"	34.969402
"1280102"	309.173902	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Cl"	34.969402
"24845"	585.357606	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M-2H+K"	36.948606
"461124"	859.562106	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M-2H+K"	36.948606
"837833"	311.153106	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-2H+K"	36.948606
"1561323"	311.153106	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+K-2H"	36.948606
"951396"	319.202694	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-H+HCOOH"	44.998194
"371797"	593.407201	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+HCOOH-H"	44.998201
"353497"	607.422851	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+Hac-H"	59.013851
"1498683"	333.218351	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Hac-H"	59.013851
"966589"	341.184651	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-H+NaCOOH"	66.980151
"114037"	309.173902	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+2Cl"	69.938804
"554328"	446.276152	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+2Cl"	69.938804
"1025312"	172.071652	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2Cl"	69.938804
"1244528"	353.123385	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Br"	78.918885
"1310258"	355.179372	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Cl+HCOOH"	80.974872
"1321193"	377.161329	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Cl+NaCOOH"	102.956829
"921003"	387.190086	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M-H+CF3COOH"	112.985586
"1301360"	423.166764	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Cl+CF3COOH"	148.962264
"1380249"	239.191824	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H-2H2O"	-35.012676
"1392281"	257.2018	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H-H2O"	-17.0027
"287595"	549.416276	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+H"	1.007276
"682202"	823.620776	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+H"	1.007276
"1362925"	275.211776	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H"	1.007276
"137638"	275.211776	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+2H"	2.014552
"576467"	412.314026	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+2H"	2.014552
"1045273"	138.109526	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2H"	2.014552
"210989"	183.810276	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+3H"	3.021828
"656013"	275.211776	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+3H"	3.021828
"1175598"	92.408776	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+3H"	3.021828
"438141"	566.442823	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+NH4"	18.033823
"796219"	840.647323	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+NH4"	18.033823
"1692916"	292.238323	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+NH4"	18.033823
"341921"	283.7250495	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+H+NH4"	19.041099
"735072"	420.8272995	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+H+NH4"	19.041099
"1489255"	146.6227995	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H+NH4"	19.041099
"402469"	571.398218	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+Na"	22.989218
"764559"	845.602718	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+Na"	22.989218
"1611562"	297.193718	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Na"	22.989218
"319413"	286.202747	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+H+Na"	23.996494
"707376"	423.304997	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+H+Na"	23.996494
"1466758"	149.100497	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H+Na"	23.996494
"1054171"	99.73609	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2H+Na"	25.00377
"1257165"	307.237986	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+CH3OH+H"	33.033486
"377735"	587.372158	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+K"	38.963158
"739184"	861.576658	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+K"	38.963158
"1540508"	313.167658	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+K"	38.963158
"299384"	294.189717	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+H+K"	39.970434
"698376"	431.291967	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+H+K"	39.970434
"1450007"	157.087467	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H+K"	39.970434
"238609"	590.442826	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+ACN+H"	42.033826
"1213866"	316.238326	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+ACN+H"	42.033826
"1200671"	158.622801	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+ACN+2H"	43.041102
"193541"	593.38016	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+2Na-H"	44.97116
"636384"	867.58466	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+2Na-H"	44.97116
"1145358"	319.17566	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2Na-H"	44.97116
"186464"	297.193718	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+2Na"	45.978436
"627117"	434.295968	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+2Na"	45.978436
"1129528"	160.091468	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2Na"	45.978436
"1413906"	107.063404	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H+2Na"	46.985712
"1445469"	321.217246	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H+HCOOH"	47.012746
"233406"	302.22674	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+3H2O+2H"	56.04448
"1524042"	335.26929	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+IsoProp+H"	61.06479
"422614"	305.180688	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+Na+K"	61.952376
"781424"	442.282938	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+Na+K"	61.952376
"1677753"	168.078438	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Na+K"	61.952376
"262094"	612.424768	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+ACN+Na"	64.015768
"1239540"	338.220268	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+ACN+Na"	64.015768
"1726969"	338.243793	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+NH4+HCOOH"	64.039293
"1191231"	114.390718	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+3Na"	68.967654
"1656748"	343.199188	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Na+HCOOH"	68.994688
"161055"	625.32804	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+2K-H"	76.91904
"600007"	899.53254	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+2K-H"	76.91904
"1090963"	351.12354	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2K-H"	76.91904
"153248"	313.167658	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"2M+2K"	77.926316
"596537"	450.269908	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"3M+2K"	77.926316
"1083926"	176.065408	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2K"	77.926316
"1114661"	353.138092	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2K+H"	78.933592
"1350073"	353.225707	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+DMSO+H"	79.021207
"1011065"	357.264876	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2ACN+H"	83.060376
"1537574"	358.258508	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+IsoProp+Na+H"	84.054008
"1004995"	179.136076	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+2ACN+2H"	84.067652
"1596703"	359.173128	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+K+HCOOH"	84.968628
"1425643"	389.204638	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+H+CF3COOH"	115.000138
"1160304"	199.649351	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+3ACN+2H"	125.094202
"1704388"	406.231185	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+NH4+CF3COOH"	132.026685
"1642235"	411.18658	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+Na+CF3COOH"	136.98208
"1583352"	427.16052	"C09889"	"alpha-Obscurine"	"C17H26N2O"	"274.2045"	"M+K+CF3COOH"	152.95602
"801769"	272.1889	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M"	0
"987251"	253.17051	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-H2O-H"	-19.01839
"76954"	180.451990666667	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M-3H"	-3.021828
"517003"	271.181624	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M-3H"	-3.021828
"892857"	89.7223573333333	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-3H"	-3.021828
"13618"	271.181624	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M-2H"	-2.014552
"452086"	407.276074	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M-2H"	-2.014552
"831469"	135.087174	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-2H"	-2.014552
"90974"	543.370524	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M-H"	-1.007276
"529441"	815.559424	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M-H"	-1.007276
"910040"	271.181624	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-H"	-1.007276
"59431"	560.397071	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M-2H+NH4"	16.019271
"500573"	832.585971	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M-2H+NH4"	16.019271
"868771"	288.208171	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-2H+NH4"	16.019271
"36672"	565.352466	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M-2H+Na"	20.974666
"473318"	837.541366	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M-2H+Na"	20.974666
"852216"	293.163566	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-2H+Na"	20.974666
"1632328"	293.163566	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Na-2H"	20.974666
"107034"	289.169963	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M-H+Cl"	33.962126
"545503"	425.264413	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M-H+Cl"	33.962126
"940838"	153.075513	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-H+Cl"	33.962126
"277576"	579.347202	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+Cl"	34.969402
"667809"	851.536102	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+Cl"	34.969402
"1279118"	307.158302	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Cl"	34.969402
"21675"	581.326406	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M-2H+K"	36.948606
"457955"	853.515306	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M-2H+K"	36.948606
"840130"	309.137506	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-2H+K"	36.948606
"1563623"	309.137506	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+K-2H"	36.948606
"955883"	317.187094	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-H+HCOOH"	44.998194
"374825"	589.376001	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+HCOOH-H"	44.998201
"354702"	603.391651	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+Hac-H"	59.013851
"1497335"	331.202751	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Hac-H"	59.013851
"960867"	339.169051	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-H+NaCOOH"	66.980151
"113419"	307.158302	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+2Cl"	69.938804
"558447"	443.252752	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+2Cl"	69.938804
"1024329"	171.063852	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2Cl"	69.938804
"1243543"	351.107785	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Br"	78.918885
"1304898"	353.163772	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Cl+HCOOH"	80.974872
"1320331"	375.145729	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Cl+NaCOOH"	102.956829
"921113"	385.174486	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M-H+CF3COOH"	112.985586
"1298915"	421.151164	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Cl+CF3COOH"	148.962264
"1379995"	237.176224	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H-2H2O"	-35.012676
"1392391"	255.1862	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H-H2O"	-17.0027
"288798"	545.385076	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+H"	1.007276
"685592"	817.573976	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+H"	1.007276
"1357568"	273.196176	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H"	1.007276
"137020"	273.196176	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+2H"	2.014552
"573299"	409.290626	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+2H"	2.014552
"1044289"	137.101726	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2H"	2.014552
"214377"	182.466542666667	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+3H"	3.021828
"656122"	273.196176	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+3H"	3.021828
"1172062"	91.7369093333333	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+3H"	3.021828
"438981"	562.411623	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+NH4"	18.033823
"798516"	834.600523	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+NH4"	18.033823
"1695942"	290.222723	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+NH4"	18.033823
"343124"	281.7094495	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+H+NH4"	19.041099
"735912"	417.8038995	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+H+NH4"	19.041099
"1490097"	145.6149995	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H+NH4"	19.041099
"403671"	567.367018	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+Na"	22.989218
"764667"	839.555918	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+Na"	22.989218
"1609485"	295.178118	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Na"	22.989218
"322803"	284.187147	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+H+Na"	23.996494
"709760"	420.281597	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+H+Na"	23.996494
"1466869"	148.092697	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H+Na"	23.996494
"1055011"	99.0642233333333	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2H+Na"	25.00377
"1257140"	305.222386	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+CH3OH+H"	33.033486
"378178"	583.340958	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+K"	38.963158
"739903"	855.529858	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+K"	38.963158
"1541226"	311.152058	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+K"	38.963158
"306063"	292.174117	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+H+K"	39.970434
"695206"	428.268567	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+H+K"	39.970434
"1450120"	156.079667	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H+K"	39.970434
"242000"	586.411626	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+ACN+H"	42.033826
"1215804"	314.222726	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+ACN+H"	42.033826
"1202967"	157.615001	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+ACN+2H"	43.041102
"195839"	589.34896	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+2Na-H"	44.97116
"636494"	861.53786	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+2Na-H"	44.97116
"1145595"	317.16006	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2Na-H"	44.97116
"187183"	295.178118	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+2Na"	45.978436
"626499"	431.272568	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+2Na"	45.978436
"1127817"	159.083668	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2Na"	45.978436
"1413529"	106.391537333333	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H+2Na"	46.985712
"1442728"	319.201646	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H+HCOOH"	47.012746
"232423"	300.21114	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+3H2O+2H"	56.04448
"1522672"	333.25369	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+IsoProp+H"	61.06479
"421632"	303.165088	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+Na+K"	61.952376
"784450"	439.259538	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+Na+K"	61.952376
"1677863"	167.070638	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Na+K"	61.952376
"265847"	608.393568	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+ACN+Na"	64.015768
"1240743"	336.204668	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+ACN+Na"	64.015768
"1728336"	336.228193	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+NH4+HCOOH"	64.039293
"1192434"	113.718851333333	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+3Na"	68.967654
"1662326"	341.183588	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Na+HCOOH"	68.994688
"159831"	621.29684	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+2K-H"	76.91904
"601819"	893.48574	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+2K-H"	76.91904
"1094355"	349.10794	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2K-H"	76.91904
"156155"	311.152058	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"2M+2K"	77.926316
"597086"	447.246508	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"3M+2K"	77.926316
"1083751"	175.057608	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2K"	77.926316
"1114771"	351.122492	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2K+H"	78.933592
"1350183"	351.210107	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+DMSO+H"	79.021207
"1011176"	355.249276	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2ACN+H"	83.060376
"1537806"	356.242908	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+IsoProp+Na+H"	84.054008
"1004862"	178.128276	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+2ACN+2H"	84.067652
"1598999"	357.157528	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+K+HCOOH"	84.968628
"1425753"	387.189038	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+H+CF3COOH"	115.000138
"1160414"	198.641551	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+3ACN+2H"	125.094202
"1702311"	404.215585	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+NH4+CF3COOH"	132.026685
"1642345"	409.17098	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+Na+CF3COOH"	136.98208
"1583462"	425.14492	"C09890"	"beta-Obscurine"	"C17H24N2O"	"272.1889"	"M+K+CF3COOH"	152.95602
"802527"	483.3825	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M"	0
"977519"	464.36411	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-H2O-H"	-19.01839
"76700"	321.247724	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M-3H"	-3.021828
"516258"	482.375224	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M-3H"	-3.021828
"892967"	160.120224	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-3H"	-3.021828
"12635"	482.375224	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M-2H"	-2.014552
"451103"	724.066474	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M-2H"	-2.014552
"826717"	240.683974	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-2H"	-2.014552
"87802"	965.757724	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M-H"	-1.007276
"531617"	1449.140224	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M-H"	-1.007276
"908446"	482.375224	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-H"	-1.007276
"61122"	982.784271	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M-2H+NH4"	16.019271
"499102"	1466.166771	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M-2H+NH4"	16.019271
"866451"	499.401771	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-2H+NH4"	16.019271
"33623"	987.739666	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M-2H+Na"	20.974666
"474157"	1471.122166	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M-2H+Na"	20.974666
"850622"	504.357166	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-2H+Na"	20.974666
"1630616"	504.357166	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Na-2H"	20.974666
"107144"	500.363563	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M-H+Cl"	33.962126
"545612"	742.054813	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M-H+Cl"	33.962126
"940463"	258.672313	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-H+Cl"	33.962126
"276593"	1001.734402	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+Cl"	34.969402
"667919"	1485.116902	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+Cl"	34.969402
"1279228"	518.351902	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Cl"	34.969402
"21785"	1003.713606	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M-2H+K"	36.948606
"460252"	1487.096106	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M-2H+K"	36.948606
"840240"	520.331106	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-2H+K"	36.948606
"1561547"	520.331106	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+K-2H"	36.948606
"951620"	528.380694	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-H+HCOOH"	44.998194
"370927"	1011.763201	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+HCOOH-H"	44.998201
"349341"	1025.778851	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+Hac-H"	59.013851
"1497081"	542.396351	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Hac-H"	59.013851
"964621"	550.362651	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-H+NaCOOH"	66.980151
"113165"	518.351902	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+2Cl"	69.938804
"554181"	760.043152	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+2Cl"	69.938804
"1022252"	276.660652	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2Cl"	69.938804
"1243652"	562.301385	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Br"	78.918885
"1307195"	564.357372	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Cl+HCOOH"	80.974872
"1321655"	586.339329	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Cl+NaCOOH"	102.956829
"920130"	596.368086	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M-H+CF3COOH"	112.985586
"1298661"	632.344764	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Cl+CF3COOH"	148.962264
"1375004"	448.369824	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H-2H2O"	-35.012676
"1388128"	466.3798	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H-H2O"	-17.0027
"287086"	967.772276	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+H"	1.007276
"683516"	1451.154776	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+H"	1.007276
"1356585"	484.389776	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H"	1.007276
"139318"	484.389776	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+2H"	2.014552
"573410"	726.081026	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+2H"	2.014552
"1047315"	242.698526	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2H"	2.014552
"215581"	323.262276	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+3H"	3.021828
"657326"	484.389776	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+3H"	3.021828
"1175452"	162.134776	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+3H"	3.021828
"438726"	984.798823	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+NH4"	18.033823
"798265"	1468.181323	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+NH4"	18.033823
"1696173"	501.416323	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+NH4"	18.033823
"343234"	492.9030495	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+H+NH4"	19.041099
"735657"	734.5942995	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+H+NH4"	19.041099
"1490571"	251.2117995	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H+NH4"	19.041099
"403781"	989.754218	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+Na"	22.989218
"766601"	1473.136718	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+Na"	22.989218
"1613968"	506.371718	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Na"	22.989218
"322913"	495.380747	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+H+Na"	23.996494
"710963"	737.071997	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+H+Na"	23.996494
"1466979"	253.689497	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H+Na"	23.996494
"1058037"	169.46209	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2H+Na"	25.00377
"1258252"	516.415986	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+CH3OH+H"	33.033486
"379747"	1005.728158	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+K"	38.963158
"740378"	1489.110658	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+K"	38.963158
"1543886"	522.345658	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+K"	38.963158
"302893"	503.367717	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+H+K"	39.970434
"693493"	745.058967	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+H+K"	39.970434
"1450230"	261.676467	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H+K"	39.970434
"242110"	1008.798826	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+ACN+H"	42.033826
"1215914"	525.416326	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+ACN+H"	42.033826
"1200891"	263.211801	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+ACN+2H"	43.041102
"193763"	1011.73616	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+2Na-H"	44.97116
"636604"	1495.11866	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+2Na-H"	44.97116
"1144123"	528.35366	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2Na-H"	44.97116
"185593"	506.371718	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+2Na"	45.978436
"624423"	748.062968	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+2Na"	45.978436
"1127928"	264.680468	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2Na"	45.978436
"1412910"	176.789404	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H+2Na"	46.985712
"1443569"	530.395246	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H+HCOOH"	47.012746
"234722"	511.40474	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+3H2O+2H"	56.04448
"1523635"	544.44729	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+IsoProp+H"	61.06479
"423444"	514.358688	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+Na+K"	61.952376
"781644"	756.049938	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+Na+K"	61.952376
"1675059"	272.667438	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Na+K"	61.952376
"263772"	1030.780768	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+ACN+Na"	64.015768
"1239395"	547.398268	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+ACN+Na"	64.015768
"1726095"	547.421793	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+NH4+HCOOH"	64.039293
"1191450"	184.116718	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+3Na"	68.967654
"1663530"	552.377188	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Na+HCOOH"	68.994688
"160183"	1043.68404	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+2K-H"	76.91904
"599742"	1527.06654	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+2K-H"	76.91904
"1099326"	560.30154	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2K-H"	76.91904
"155655"	522.345658	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"2M+2K"	77.926316
"596557"	764.036908	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"3M+2K"	77.926316
"1084110"	280.654408	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2K"	77.926316
"1115612"	562.316092	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2K+H"	78.933592
"1351309"	562.403707	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+DMSO+H"	79.021207
"1011286"	566.442876	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2ACN+H"	83.060376
"1537067"	567.436508	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+IsoProp+Na+H"	84.054008
"1004244"	283.725076	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+2ACN+2H"	84.067652
"1598017"	568.351128	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+K+HCOOH"	84.968628
"1425863"	598.382638	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+H+CF3COOH"	115.000138
"1157244"	304.238351	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+3ACN+2H"	125.094202
"1700235"	615.409185	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+NH4+CF3COOH"	132.026685
"1645735"	620.36458	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+Na+CF3COOH"	136.98208
"1583572"	636.33852	"C09891"	"Oxolucidine B;Serratanine B"	"C30H49N3O2"	"483.3825"	"M+K+CF3COOH"	152.95602
"804096"	250.2409	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M"	0
"975076"	231.22251	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-H2O-H"	-19.01839
"78517"	165.819990666667	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M-3H"	-3.021828
"517461"	249.233624	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M-3H"	-3.021828
"894900"	82.4063573333333	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-3H"	-3.021828
"12745"	249.233624	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M-2H"	-2.014552
"452306"	374.354074	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M-2H"	-2.014552
"831200"	124.113174	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-2H"	-2.014552
"94264"	499.474524	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M-H"	-1.007276
"534190"	749.715424	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M-H"	-1.007276
"910509"	249.233624	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-H"	-1.007276
"62210"	516.501071	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M-2H+NH4"	16.019271
"501891"	766.741971	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M-2H+NH4"	16.019271
"871544"	266.260171	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-2H+NH4"	16.019271
"36528"	521.456466	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M-2H+Na"	20.974666
"474267"	771.697366	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M-2H+Na"	20.974666
"853529"	271.215566	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-2H+Na"	20.974666
"1632551"	271.215566	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Na-2H"	20.974666
"108347"	267.221963	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M-H+Cl"	33.962126
"547788"	392.342413	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M-H+Cl"	33.962126
"940329"	142.101513	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-H+Cl"	33.962126
"278890"	535.451202	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+Cl"	34.969402
"672404"	785.692102	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+Cl"	34.969402
"1282623"	285.210302	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Cl"	34.969402
"26271"	537.430406	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M-2H+K"	36.948606
"469114"	787.671306	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M-2H+K"	36.948606
"843636"	287.189506	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-2H+K"	36.948606
"1568951"	287.189506	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+K-2H"	36.948606
"952823"	295.239094	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-H+HCOOH"	44.998194
"371037"	545.480001	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+HCOOH-H"	44.998201
"359904"	559.495651	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+Hac-H"	59.013851
"1499380"	309.254751	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Hac-H"	59.013851
"964733"	317.221051	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-H+NaCOOH"	66.980151
"115828"	285.210302	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+2Cl"	69.938804
"557575"	410.330752	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+2Cl"	69.938804
"1028564"	160.089852	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2Cl"	69.938804
"1244860"	329.159785	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Br"	78.918885
"1307308"	331.215772	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Cl+HCOOH"	80.974872
"1321157"	353.197729	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Cl+NaCOOH"	102.956829
"920241"	363.226486	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M-H+CF3COOH"	112.985586
"1300229"	399.203164	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Cl+CF3COOH"	148.962264
"1379489"	215.228224	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H-2H2O"	-35.012676
"1387146"	233.2382	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H-H2O"	-17.0027
"286103"	501.489076	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+H"	1.007276
"680347"	751.729976	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+H"	1.007276
"1357789"	251.248176	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H"	1.007276
"132865"	251.248176	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+2H"	2.014552
"570238"	376.368626	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+2H"	2.014552
"1042322"	126.127726	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2H"	2.014552
"214597"	167.834542666667	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+3H"	3.021828
"659017"	251.248176	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+3H"	3.021828
"1177022"	84.4209093333333	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+3H"	3.021828
"437381"	518.515623	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+NH4"	18.033823
"799833"	768.756523	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+NH4"	18.033823
"1696527"	268.274723	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+NH4"	18.033823
"344805"	259.7614495	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+H+NH4"	19.041099
"736496"	384.8818995	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+H+NH4"	19.041099
"1487400"	134.6409995	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H+NH4"	19.041099
"403893"	523.471018	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+Na"	22.989218
"768171"	773.711918	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+Na"	22.989218
"1615171"	273.230118	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Na"	22.989218
"325210"	262.239147	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+H+Na"	23.996494
"713260"	387.359597	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+H+Na"	23.996494
"1468182"	137.118697	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H+Na"	23.996494
"1058147"	91.7482233333333	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2H+Na"	25.00377
"1260919"	283.274386	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+CH3OH+H"	33.033486
"378882"	539.444958	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+K"	38.963158
"741581"	789.685858	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+K"	38.963158
"1544724"	289.204058	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+K"	38.963158
"303729"	270.226117	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+H+K"	39.970434
"695425"	395.346567	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+H+K"	39.970434
"1449247"	145.105667	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H+K"	39.970434
"239668"	542.515626	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+ACN+H"	42.033826
"1214930"	292.274726	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+ACN+H"	42.033826
"1198815"	146.641001	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+ACN+2H"	43.041102
"194236"	545.45296	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+2Na-H"	44.97116
"634525"	795.69386	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+2Na-H"	44.97116
"1135847"	295.21206	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2Na-H"	44.97116
"182418"	273.230118	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+2Na"	45.978436
"625989"	398.350568	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+2Na"	45.978436
"1121110"	148.109668	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2Na"	45.978436
"1411561"	99.0755373333333	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H+2Na"	46.985712
"1443313"	297.253646	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H+HCOOH"	47.012746
"233372"	278.26314	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+3H2O+2H"	56.04448
"1520706"	311.30569	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+IsoProp+H"	61.06479
"419666"	281.217088	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+Na+K"	61.952376
"780661"	406.337538	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+Na+K"	61.952376
"1674075"	156.096638	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Na+K"	61.952376
"258052"	564.497568	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+ACN+Na"	64.015768
"1232946"	314.256668	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+ACN+Na"	64.015768
"1721833"	314.280193	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+NH4+HCOOH"	64.039293
"1189374"	106.402851333333	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+3Na"	68.967654
"1661454"	319.235588	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Na+HCOOH"	68.994688
"161020"	577.40084	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+2K-H"	76.91904
"600580"	827.64174	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+2K-H"	76.91904
"1089107"	327.15994	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2K-H"	76.91904
"155891"	289.204058	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"2M+2K"	77.926316
"596755"	414.324508	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"3M+2K"	77.926316
"1084017"	164.083608	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2K"	77.926316
"1114387"	329.174492	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2K+H"	78.933592
"1349430"	329.262107	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+DMSO+H"	79.021207
"1016498"	333.301276	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2ACN+H"	83.060376
"1536812"	334.294908	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+IsoProp+Na+H"	84.054008
"1004111"	167.154276	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+2ACN+2H"	84.067652
"1598127"	335.209528	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+K+HCOOH"	84.968628
"1423786"	365.241038	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+H+CF3COOH"	115.000138
"1156261"	187.667551	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+3ACN+2H"	125.094202
"1700346"	382.267585	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+NH4+CF3COOH"	132.026685
"1645845"	387.22298	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+Na+CF3COOH"	136.98208
"1583682"	403.19692	"C09892"	"Phlegmarine"	"C16H30N2"	"250.2409"	"M+K+CF3COOH"	152.95602
"801571"	152.1201	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M"	0
"974342"	133.10171	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"77527"	100.406124	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"516114"	151.112824	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"893187"	49.699424	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"12855"	151.112824	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"454238"	227.172874	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"825844"	75.052774	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"94101"	303.232924	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"527583"	455.353024	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"907572"	151.112824	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"60855"	320.259471	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"501508"	472.379571	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"871654"	168.139371	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"34815"	325.214866	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"473283"	477.334966	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"850723"	173.094766	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1634005"	173.094766	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"108457"	169.101163	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"549276"	245.161213	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"939346"	93.041113	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"279000"	339.209602	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"671422"	491.329702	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1282733"	187.089502	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"26382"	341.188806	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"468130"	493.308906	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"845932"	189.068706	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1570154"	189.068706	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"954026"	197.118294	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"367866"	349.238401	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"360865"	363.254051	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1502770"	211.133951	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"964843"	219.100251	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"115938"	187.089502	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"557685"	263.149552	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1026851"	111.029452	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1244970"	231.038985	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1305595"	233.094972	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1320538"	255.076929	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"919258"	265.105686	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1298882"	301.082364	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1375225"	117.107424	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1387256"	135.1174	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"289128"	305.247476	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"680456"	457.367576	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1356807"	153.127376	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"130789"	153.127376	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"570349"	229.187426	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1039516"	77.067326	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"210333"	102.420676	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"654267"	153.127376	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1172392"	51.713976	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"434575"	322.274023	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"799575"	474.394123	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1694084"	170.153923	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"337989"	161.6406495	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"732596"	237.7006995	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1485324"	85.5805995	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"401816"	327.229418	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"763905"	479.349518	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1612001"	175.109318	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"320948"	164.118347	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"708753"	240.178397	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1470478"	88.058297	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1060444"	59.04129	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1264311"	185.153586	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"382883"	343.203358	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"740597"	495.323458	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1541554"	191.083258	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"302380"	172.105317	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"697721"	248.165367	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1452636"	96.045267	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"240506"	346.274026	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1217226"	194.153926	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1202204"	97.580601	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"198357"	349.21136	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"634635"	501.33146	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1135956"	197.09126	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"181434"	175.109318	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"623911"	251.169368	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1117940"	99.049268	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1411670"	66.368604	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1441964"	199.132846	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"230566"	180.14234	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1521545"	213.18489	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"418319"	183.096288	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"780406"	259.156338	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1676371"	107.036238	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"254881"	368.255968	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1232690"	216.135868	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1721577"	216.159393	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1186204"	73.695918	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1658282"	221.114788	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"159673"	381.15924	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"599598"	533.27934	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1087390"	229.03914	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"155875"	191.083258	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"595435"	267.143308	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1083356"	115.023208	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1112063"	231.053692	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1348446"	231.141307	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1010414"	235.180476	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1527444"	236.174108	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"999360"	118.093876	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1598238"	237.088728	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1422804"	267.120238	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1150905"	138.607151	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1700458"	284.146785	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1642675"	289.10218	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1583792"	305.07612	"C09893"	"Pulegone;()-Pulegone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"804316"	372.1937	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M"	0
"977849"	353.17531	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-H2O-H"	-19.01839
"71561"	247.121857333333	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M-3H"	-3.021828
"517441"	371.186424	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M-3H"	-3.021828
"894031"	123.057290666667	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-3H"	-3.021828
"14915"	371.186424	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M-2H"	-2.014552
"449245"	557.283274	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M-2H"	-2.014552
"830329"	185.089574	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-2H"	-2.014552
"87039"	743.380124	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M-H"	-1.007276
"527693"	1115.573824	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M-H"	-1.007276
"907682"	371.186424	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-H"	-1.007276
"52218"	760.406671	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M-2H+NH4"	16.019271
"500526"	1132.600371	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M-2H+NH4"	16.019271
"873951"	388.212971	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-2H+NH4"	16.019271
"35655"	765.362066	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M-2H+Na"	20.974666
"478134"	1137.555766	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M-2H+Na"	20.974666
"850832"	393.168366	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-2H+Na"	20.974666
"1633133"	393.168366	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Na-2H"	20.974666
"109663"	389.174763	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M-H+Cl"	33.962126
"549587"	575.271613	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M-H+Cl"	33.962126
"936173"	203.077913	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-H+Cl"	33.962126
"279110"	779.356802	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+Cl"	34.969402
"671532"	1151.550502	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+Cl"	34.969402
"1282843"	407.163102	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Cl"	34.969402
"26492"	781.336006	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M-2H+K"	36.948606
"467147"	1153.529706	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M-2H+K"	36.948606
"843856"	409.142306	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-2H+K"	36.948606
"1570872"	409.142306	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+K-2H"	36.948606
"957296"	417.191894	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-H+HCOOH"	44.998194
"372351"	789.385601	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+HCOOH-H"	44.998201
"360736"	803.401251	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+Hac-H"	59.013851
"1507985"	431.207551	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Hac-H"	59.013851
"966047"	439.173851	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-H+NaCOOH"	66.980151
"114955"	407.163102	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+2Cl"	69.938804
"557795"	593.259952	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+2Cl"	69.938804
"1029878"	221.066252	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2Cl"	69.938804
"1242893"	451.112585	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Br"	78.918885
"1305705"	453.168572	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Cl+HCOOH"	80.974872
"1320649"	475.150529	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Cl+NaCOOH"	102.956829
"920461"	485.179286	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M-H+CF3COOH"	112.985586
"1300085"	521.155964	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Cl+CF3COOH"	148.962264
"1376431"	337.181024	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H-2H2O"	-35.012676
"1387367"	355.191	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H-H2O"	-17.0027
"290332"	745.394676	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+H"	1.007276
"682754"	1117.588376	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+H"	1.007276
"1356917"	373.200976	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H"	1.007276
"129077"	373.200976	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+2H"	2.014552
"572648"	559.297826	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+2H"	2.014552
"1039626"	187.104126	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2H"	2.014552
"210443"	249.136409333333	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+3H"	3.021828
"656565"	373.200976	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+3H"	3.021828
"1174692"	125.071842666667	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+3H"	3.021828
"431403"	762.421223	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+NH4"	18.033823
"798593"	1134.614923	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+NH4"	18.033823
"1694194"	390.227523	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+NH4"	18.033823
"341379"	381.7142495	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+H+NH4"	19.041099
"729426"	567.8110995	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+H+NH4"	19.041099
"1484340"	195.6173995	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H+NH4"	19.041099
"399738"	767.376618	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+Na"	22.989218
"762921"	1139.570318	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+Na"	22.989218
"1608833"	395.182918	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Na"	22.989218
"322151"	384.191947	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+H+Na"	23.996494
"710564"	570.288797	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+H+Na"	23.996494
"1470588"	198.095097	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H+Na"	23.996494
"1060554"	132.399156666667	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2H+Na"	25.00377
"1266607"	405.227186	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+CH3OH+H"	33.033486
"386275"	783.350558	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+K"	38.963158
"740708"	1155.544258	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+K"	38.963158
"1542393"	411.156858	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+K"	38.963158
"302126"	392.178917	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+H+K"	39.970434
"700017"	578.275767	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+H+K"	39.970434
"1451653"	206.082067	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H+K"	39.970434
"242439"	786.421226	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+ACN+H"	42.033826
"1216242"	414.227526	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+ACN+H"	42.033826
"1202314"	207.617401	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+ACN+2H"	43.041102
"198467"	789.35856	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+2Na-H"	44.97116
"638025"	1161.55226	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+2Na-H"	44.97116
"1134243"	417.16486	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2Na-H"	44.97116
"178264"	395.182918	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+2Na"	45.978436
"622198"	581.279768	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+2Na"	45.978436
"1120238"	209.086068	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2Na"	45.978436
"1408864"	139.726470666667	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H+2Na"	46.985712
"1443899"	419.206446	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H+HCOOH"	47.012746
"233594"	400.21594	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+3H2O+2H"	56.04448
"1520928"	433.25849	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+IsoProp+H"	61.06479
"418793"	403.169888	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+Na+K"	61.952376
"779790"	589.266738	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+Na+K"	61.952376
"1675757"	217.073038	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Na+K"	61.952376
"259363"	808.403168	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+ACN+Na"	64.015768
"1230980"	436.209468	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+ACN+Na"	64.015768
"1722417"	436.232993	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+NH4+HCOOH"	64.039293
"1183032"	147.053784666667	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+3Na"	68.967654
"1652922"	441.188388	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Na+HCOOH"	68.994688
"159054"	821.30644	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+2K-H"	76.91904
"599345"	1193.50014	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+2K-H"	76.91904
"1085676"	449.11274	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2K-H"	76.91904
"146505"	411.156858	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"2M+2K"	77.926316
"584971"	597.253708	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"3M+2K"	77.926316
"1072765"	225.060008	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2K"	77.926316
"1106703"	451.127292	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2K+H"	78.933592
"1344183"	451.214907	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+DMSO+H"	79.021207
"1009429"	455.254076	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2ACN+H"	83.060376
"1531929"	456.247708	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+IsoProp+Na+H"	84.054008
"995098"	228.130676	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+2ACN+2H"	84.067652
"1598348"	457.162328	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+K+HCOOH"	84.968628
"1422915"	487.193838	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+H+CF3COOH"	115.000138
"1155391"	248.643951	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+3ACN+2H"	125.094202
"1708223"	504.220385	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+NH4+CF3COOH"	132.026685
"1638407"	509.17578	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+Na+CF3COOH"	136.98208
"1575154"	525.14972	"C09894"	"Pyrethrin II"	"C22H28O5"	"372.1937"	"M+K+CF3COOH"	152.95602
"816869"	274.2045	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M"	0
"986708"	255.18611	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-H2O-H"	-19.01839
"71671"	181.795724	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M-3H"	-3.021828
"517679"	273.197224	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M-3H"	-3.021828
"893050"	90.394224	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-3H"	-3.021828
"13812"	273.197224	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M-2H"	-2.014552
"449355"	410.299474	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M-2H"	-2.014552
"830318"	136.094974	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-2H"	-2.014552
"87149"	547.401724	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M-H"	-1.007276
"526709"	821.606224	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M-H"	-1.007276
"907792"	273.197224	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-H"	-1.007276
"53422"	564.428271	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M-2H+NH4"	16.019271
"497355"	838.632771	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M-2H+NH4"	16.019271
"874064"	290.223771	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-2H+NH4"	16.019271
"37953"	569.383666	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M-2H+Na"	20.974666
"473868"	843.588166	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M-2H+Na"	20.974666
"853131"	295.179166	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-2H+Na"	20.974666
"1629960"	295.179166	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Na-2H"	20.974666
"104302"	291.185563	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M-H+Cl"	33.962126
"546781"	428.287813	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M-H+Cl"	33.962126
"934097"	154.083313	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-H+Cl"	33.962126
"279224"	583.378402	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+Cl"	34.969402
"673829"	857.582902	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+Cl"	34.969402
"1286234"	309.173902	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Cl"	34.969402
"28790"	585.357606	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M-2H+K"	36.948606
"466164"	859.562106	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M-2H+K"	36.948606
"843967"	311.153106	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-2H+K"	36.948606
"1569644"	311.153106	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+K-2H"	36.948606
"956435"	319.202694	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-H+HCOOH"	44.998194
"372461"	593.407201	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+HCOOH-H"	44.998201
"359752"	607.422851	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+Hac-H"	59.013851
"1508220"	333.218351	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Hac-H"	59.013851
"973571"	341.184651	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-H+NaCOOH"	66.980151
"122719"	309.173902	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+2Cl"	69.938804
"558999"	446.276152	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+2Cl"	69.938804
"1028890"	172.071652	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2Cl"	69.938804
"1249566"	353.123385	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Br"	78.918885
"1308734"	355.179372	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Cl+HCOOH"	80.974872
"1332795"	377.161329	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Cl+NaCOOH"	102.956829
"921671"	387.190086	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M-H+CF3COOH"	112.985586
"1300563"	423.166764	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Cl+CF3COOH"	148.962264
"1369982"	239.191824	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H-2H2O"	-35.012676
"1387477"	257.2018	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H-H2O"	-17.0027
"290442"	549.416276	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+H"	1.007276
"682864"	823.620776	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+H"	1.007276
"1355937"	275.211776	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H"	1.007276
"131013"	275.211776	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+2H"	2.014552
"571666"	412.314026	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+2H"	2.014552
"1039372"	138.109526	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2H"	2.014552
"210555"	183.810276	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+3H"	3.021828
"655947"	275.211776	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+3H"	3.021828
"1171522"	92.408776	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+3H"	3.021828
"429327"	566.442823	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+NH4"	18.033823
"790324"	840.647323	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+NH4"	18.033823
"1691024"	292.238323	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+NH4"	18.033823
"339301"	283.7250495	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+H+NH4"	19.041099
"726256"	420.8272995	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+H+NH4"	19.041099
"1480078"	146.6227995	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H+NH4"	19.041099
"398756"	571.398218	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+Na"	22.989218
"760842"	845.602718	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+Na"	22.989218
"1611127"	297.193718	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Na"	22.989218
"315700"	286.202747	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+H+Na"	23.996494
"713593"	423.304997	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+H+Na"	23.996494
"1470700"	149.100497	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H+Na"	23.996494
"1062489"	99.73609	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2H+Na"	25.00377
"1267446"	307.237986	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+CH3OH+H"	33.033486
"388573"	587.372158	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+K"	38.963158
"740819"	861.576658	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+K"	38.963158
"1544332"	313.167658	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+K"	38.963158
"307708"	294.189717	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+H+K"	39.970434
"697944"	431.291967	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+H+K"	39.970434
"1457235"	157.087467	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H+K"	39.970434
"249847"	590.442826	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+ACN+H"	42.033826
"1222919"	316.238326	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+ACN+H"	42.033826
"1208260"	158.622801	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+ACN+2H"	43.041102
"201500"	593.38016	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+2Na-H"	44.97116
"641420"	867.58466	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+2Na-H"	44.97116
"1139457"	319.17566	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2Na-H"	44.97116
"182748"	297.193718	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+2Na"	45.978436
"615749"	434.295968	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+2Na"	45.978436
"1121441"	160.091468	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2Na"	45.978436
"1404966"	107.063404	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H+2Na"	46.985712
"1444009"	321.217246	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H+HCOOH"	47.012746
"232975"	302.22674	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+3H2O+2H"	56.04448
"1519215"	335.26929	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+IsoProp+H"	61.06479
"418904"	305.180688	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+Na+K"	61.952376
"777712"	442.282938	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+Na+K"	61.952376
"1676231"	168.078438	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Na+K"	61.952376
"262025"	612.424768	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+ACN+Na"	64.015768
"1234368"	338.220268	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+ACN+Na"	64.015768
"1724711"	338.243793	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+NH4+HCOOH"	64.039293
"1187518"	114.390718	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+3Na"	68.967654
"1655222"	343.199188	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Na+HCOOH"	68.994688
"160624"	625.32804	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+2K-H"	76.91904
"599456"	899.53254	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+2K-H"	76.91904
"1085060"	351.12354	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2K-H"	76.91904
"145158"	313.167658	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"2M+2K"	77.926316
"584718"	450.269908	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"3M+2K"	77.926316
"1073605"	176.065408	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2K"	77.926316
"1106814"	353.138092	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2K+H"	78.933592
"1346479"	353.225707	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+DMSO+H"	79.021207
"1007719"	357.264876	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2ACN+H"	83.060376
"1528761"	358.258508	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+IsoProp+Na+H"	84.054008
"995208"	179.136076	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+2ACN+2H"	84.067652
"1595179"	359.173128	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+K+HCOOH"	84.968628
"1426306"	389.204638	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+H+CF3COOH"	115.000138
"1155501"	199.649351	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+3ACN+2H"	125.094202
"1697397"	406.231185	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+NH4+CF3COOH"	132.026685
"1637427"	411.18658	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+Na+CF3COOH"	136.98208
"1574171"	427.16052	"C09895"	"Sauroxine"	"C17H26N2O"	"274.2045"	"M+K+CF3COOH"	152.95602
"801983"	166.0994	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M"	0
"974538"	147.08101	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"72874"	109.725657333333	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"516808"	165.092124	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"894859"	54.3591906666667	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"13186"	165.092124	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"446185"	248.141824	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"823987"	82.042424	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"87259"	331.191524	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"527912"	497.290924	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"907901"	165.092124	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"54624"	348.218071	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"498557"	514.317471	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"875266"	182.118671	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"37699"	353.173466	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"474707"	519.272866	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"853241"	187.074066	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1622416"	187.074066	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"104412"	183.080463	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"543609"	266.130163	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"934207"	100.030763	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"279336"	367.168202	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"673211"	533.267602	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1283064"	201.068802	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"28901"	369.147406	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"468464"	535.246806	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"842985"	203.048006	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1569390"	203.048006	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"957273"	211.097594	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"371478"	377.197001	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"359377"	391.212651	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1507720"	225.113251	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"971737"	233.079551	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"119550"	201.068802	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"559110"	284.118502	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1029004"	118.019102	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1247490"	245.018285	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1309937"	247.074272	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1330719"	269.056229	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"920686"	279.084986	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1299581"	315.061664	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1375555"	131.086724	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1385035"	149.0967	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"290553"	333.206076	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"684069"	499.305476	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1360418"	167.106676	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"133310"	167.106676	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"573963"	250.156376	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1041669"	84.056976	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"213945"	111.740209333333	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"655328"	167.106676	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1171632"	56.3737426666667	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"429437"	350.232623	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"790434"	516.332023	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1691134"	184.133223	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"340504"	175.6199495	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"723811"	258.6696495	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1481645"	92.5702495	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"399957"	355.188018	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"758766"	521.287418	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1612331"	189.088618	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"317997"	178.097647	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"708355"	261.147347	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1469719"	95.047947	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1062962"	63.7010566666667	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1266827"	199.132886	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"383213"	371.161958	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"746398"	537.261358	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1549909"	205.062558	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"305630"	186.084617	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"698054"	269.134317	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1455158"	103.034917	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"245946"	374.232626	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1222549"	208.133226	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1206550"	104.570251	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"200152"	377.16996	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"640073"	543.26936	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1141756"	211.07056	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"178486"	189.088618	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"615858"	272.138318	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1120458"	106.038918	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1403983"	71.0283706666667	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1442542"	213.112146	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"231630"	194.12164	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1518962"	227.16419	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"420108"	197.075588	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"780010"	280.125288	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1677432"	114.025888	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"263228"	396.214568	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1235571"	230.115168	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1723364"	230.138693	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1187627"	78.3556846666667	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1655331"	235.094088	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"161463"	409.11784	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"598471"	575.21724	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1086263"	243.01844	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"145267"	205.062558	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"589203"	288.112258	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1074809"	122.012858	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1105830"	245.032992	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1343309"	245.120607	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1007100"	249.159776	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1527778"	250.153408	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"997505"	125.083526	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1597476"	251.068028	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1424230"	281.099538	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1155611"	145.596801	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1697749"	298.126085	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1637537"	303.08148	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1574281"	319.05542	"C09896"	"Rotundifolone;Lippione"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"803552"	242.1419	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M"	0
"975624"	223.12351	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-H2O-H"	-19.01839
"65328"	160.420657333333	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M-3H"	-3.021828
"514732"	241.134624	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M-3H"	-3.021828
"895131"	79.7066906666667	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-3H"	-3.021828
"12203"	241.134624	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M-2H"	-2.014552
"451763"	362.205574	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M-2H"	-2.014552
"831389"	120.063674	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-2H"	-2.014552
"93326"	483.276524	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M-H"	-1.007276
"528023"	725.418424	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M-H"	-1.007276
"908014"	241.134624	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-H"	-1.007276
"59109"	500.303071	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M-2H+NH4"	16.019271
"498668"	742.444971	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M-2H+NH4"	16.019271
"877200"	258.161171	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-2H+NH4"	16.019271
"37810"	505.258466	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M-2H+Na"	20.974666
"476640"	747.400366	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M-2H+Na"	20.974666
"856267"	263.116566	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-2H+Na"	20.974666
"1630181"	263.116566	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Na-2H"	20.974666
"107439"	259.122963	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M-H+Cl"	33.962126
"548338"	380.193913	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M-H+Cl"	33.962126
"939057"	138.052013	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-H+Cl"	33.962126
"282115"	519.253202	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+Cl"	34.969402
"673685"	761.395102	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+Cl"	34.969402
"1285005"	277.111302	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Cl"	34.969402
"29379"	521.232406	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M-2H+K"	36.948606
"468214"	763.374306	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M-2H+K"	36.948606
"844188"	279.090506	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-2H+K"	36.948606
"1569139"	279.090506	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+K-2H"	36.948606
"955561"	287.140094	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-H+HCOOH"	44.998194
"371589"	529.282001	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+HCOOH-H"	44.998201
"360576"	543.297651	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+Hac-H"	59.013851
"1506493"	301.155751	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Hac-H"	59.013851
"969660"	309.122051	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-H+NaCOOH"	66.980151
"118566"	277.111302	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+2Cl"	69.938804
"558127"	398.182252	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+2Cl"	69.938804
"1029114"	156.040352	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2Cl"	69.938804
"1253069"	321.060785	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Br"	78.918885
"1311507"	323.116772	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Cl+HCOOH"	80.974872
"1331924"	345.098729	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Cl+NaCOOH"	102.956829
"922983"	355.127486	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M-H+CF3COOH"	112.985586
"1297503"	391.104164	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Cl+CF3COOH"	148.962264
"1374572"	207.129224	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H-2H2O"	-35.012676
"1392072"	225.1392	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H-H2O"	-17.0027
"291758"	485.291076	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+H"	1.007276
"686366"	727.432976	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+H"	1.007276
"1360531"	243.149176	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H"	1.007276
"131234"	243.149176	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+2H"	2.014552
"572982"	364.220126	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+2H"	2.014552
"1049437"	122.078226	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2H"	2.014552
"216244"	162.435209333333	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+3H"	3.021828
"654714"	243.149176	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+3H"	3.021828
"1172840"	81.7212426666667	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+3H"	3.021828
"432830"	502.317623	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+NH4"	18.033823
"794919"	744.459523	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+NH4"	18.033823
"1690153"	260.175723	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+NH4"	18.033823
"339523"	251.6624495	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+H+NH4"	19.041099
"728665"	372.7333995	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+H+NH4"	19.041099
"1484672"	130.5914995	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H+NH4"	19.041099
"396791"	507.273018	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+Na"	22.989218
"761067"	749.414918	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+Na"	22.989218
"1608072"	265.131118	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Na"	22.989218
"321392"	254.140147	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+H+Na"	23.996494
"712719"	375.211097	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+H+Na"	23.996494
"1476154"	133.069197	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H+Na"	23.996494
"1062710"	89.0485566666667	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2H+Na"	25.00377
"1270949"	275.175386	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+CH3OH+H"	33.033486
"390980"	523.246958	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+K"	38.963158
"750884"	765.388858	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+K"	38.963158
"1551113"	281.105058	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+K"	38.963158
"309021"	262.127117	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+H+K"	39.970434
"700353"	383.198067	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+H+K"	39.970434
"1458549"	141.056167	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H+K"	39.970434
"244963"	526.317626	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+ACN+H"	42.033826
"1222776"	284.175726	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+ACN+H"	42.033826
"1203741"	142.591501	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+ACN+2H"	43.041102
"202936"	529.25496	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+2Na-H"	44.97116
"641280"	771.39686	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+2Na-H"	44.97116
"1144421"	287.11306	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2Na-H"	44.97116
"179689"	265.131118	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+2Na"	45.978436
"621437"	386.202068	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+2Na"	45.978436
"1128223"	144.060168	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2Na"	45.978436
"1406279"	96.3758706666667	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H+2Na"	46.985712
"1442041"	289.154646	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H+HCOOH"	47.012746
"231372"	270.16414	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+3H2O+2H"	56.04448
"1520527"	303.20669	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+IsoProp+H"	61.06479
"421676"	273.118088	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+Na+K"	61.952376
"781213"	394.189038	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+Na+K"	61.952376
"1677907"	152.047138	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Na+K"	61.952376
"265158"	548.299568	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+ACN+Na"	64.015768
"1237141"	306.157668	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+ACN+Na"	64.015768
"1725664"	306.181193	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+NH4+HCOOH"	64.039293
"1192474"	103.703184666667	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+3Na"	68.967654
"1662003"	311.136588	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Na+HCOOH"	68.994688
"165584"	561.20284	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+2K-H"	76.91904
"606237"	803.34474	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+2K-H"	76.91904
"1088563"	319.06094	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2K-H"	76.91904
"146838"	281.105058	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"2M+2K"	77.926316
"591500"	402.176008	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"3M+2K"	77.926316
"1079295"	160.034108	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2K"	77.926316
"1108127"	321.075492	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2K+H"	78.933592
"1344512"	321.163107	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+DMSO+H"	79.021207
"1011951"	325.202276	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2ACN+H"	83.060376
"1532262"	326.195908	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+IsoProp+Na+H"	84.054008
"998710"	163.104776	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+2ACN+2H"	84.067652
"1597588"	327.110528	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+K+HCOOH"	84.968628
"1424342"	357.142038	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+H+CF3COOH"	115.000138
"1161190"	183.618051	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+3ACN+2H"	125.094202
"1710741"	374.168585	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+NH4+CF3COOH"	132.026685
"1643114"	379.12398	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+Na+CF3COOH"	136.98208
"1575484"	395.09792	"C09897"	"Selagine"	"C15H18N2O"	"242.1419"	"M+K+CF3COOH"	152.95602
"811319"	136.1252	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M"	0
"978289"	117.10681	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"70906"	89.7428573333333	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"507184"	135.117924	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"895076"	44.3677906666667	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"12312"	135.117924	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"454911"	203.180524	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"822019"	67.055324	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"84199"	271.243124	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"523759"	407.368324	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"907030"	135.117924	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"57031"	288.269671	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"500843"	424.394871	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873298"	152.144471	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"36459"	293.225066	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"473345"	429.350266	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"856377"	157.099866	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1633821"	157.099866	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"109977"	153.106263	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"549420"	221.168863	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"940260"	85.043663	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"282589"	307.219802	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"674158"	443.345002	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1284021"	171.094602	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"26573"	309.199006	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"467595"	445.324206	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"845393"	173.073806	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1570589"	173.073806	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"957013"	181.123394	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"374981"	317.248601	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"359593"	331.264251	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1507699"	195.139051	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"969771"	203.105351	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"119771"	171.094602	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"556414"	239.157202	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1028130"	103.032002	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1253548"	215.044085	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1316721"	217.100072	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1332765"	239.082029	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"923824"	249.110786	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1297613"	285.087464	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1374682"	101.112524	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1389266"	119.1225	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"289682"	273.257676	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"686478"	409.382876	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1361734"	137.132476	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H"	1.007276
"130613"	137.132476	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"573091"	205.195076	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1047363"	69.069876	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"215262"	91.7574093333333	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"654821"	137.132476	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1173678"	46.3823426666667	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"431847"	290.284223	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"792842"	426.409423	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1691357"	154.159023	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"336354"	145.6457495	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"729868"	213.7083495	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1485876"	77.5831495	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"400181"	295.239618	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"763364"	431.364818	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1611462"	159.114418	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"321501"	148.123447	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"711736"	216.186047	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1473220"	80.060847	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1060996"	53.7096566666667	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1269236"	169.158686	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"391090"	311.213558	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"748806"	447.338758	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1549765"	175.088358	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+K"	38.963158
"306945"	156.110417	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"701556"	224.173017	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1457567"	88.047817	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"242886"	314.284226	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1222156"	178.159026	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1206770"	89.583151	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"201466"	317.22156	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"639563"	453.34676	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1145260"	181.09636	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"180892"	159.114418	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"621547"	227.177018	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1127239"	91.051818	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1406389"	61.0369706666667	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1443973"	183.137946	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"232574"	164.14744	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1522096"	197.18999	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"418140"	167.101388	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"779134"	235.163988	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1675463"	99.038788	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"263810"	336.266168	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1234701"	200.140968	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1724314"	200.164493	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1189667"	68.3642846666667	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1657738"	205.119888	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"162414"	349.16944	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"604161"	485.29464	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1086487"	213.04424	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"144761"	175.088358	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"588331"	243.150958	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1079402"	107.025758	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1104957"	215.058792	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1346809"	215.146407	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1006957"	219.185576	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1529091"	220.179208	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"992623"	110.096426	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1592230"	221.093828	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1423359"	251.125338	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1159113"	130.609701	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1707570"	268.151885	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1643225"	273.10728	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1577781"	289.08122	"C09898"	"alpha-Terpinene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"802070"	295.1784	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M"	0
"974708"	276.16001	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-H2O-H"	-19.01839
"64576"	195.778324	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M-3H"	-3.021828
"504499"	294.171124	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M-3H"	-3.021828
"888379"	97.385524	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-3H"	-3.021828
"11329"	294.171124	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M-2H"	-2.014552
"453077"	441.760324	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M-2H"	-2.014552
"821400"	146.581924	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-2H"	-2.014552
"83216"	589.349524	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M-H"	-1.007276
"524962"	884.527924	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M-H"	-1.007276
"906047"	294.171124	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-H"	-1.007276
"57141"	606.376071	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M-2H+NH4"	16.019271
"499981"	901.554471	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M-2H+NH4"	16.019271
"871222"	311.197671	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-2H+NH4"	16.019271
"34018"	611.331466	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M-2H+Na"	20.974666
"471510"	906.509866	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M-2H+Na"	20.974666
"851017"	316.153066	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-2H+Na"	20.974666
"1632592"	316.153066	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Na-2H"	20.974666
"106932"	312.159463	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M-H+Cl"	33.962126
"547585"	459.748663	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M-H+Cl"	33.962126
"940005"	164.570263	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-H+Cl"	33.962126
"278564"	625.326202	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+Cl"	34.969402
"672078"	920.504602	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+Cl"	34.969402
"1282307"	330.147802	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Cl"	34.969402
"25957"	627.305406	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M-2H+K"	36.948606
"466609"	922.483806	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M-2H+K"	36.948606
"844780"	332.127006	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-2H+K"	36.948606
"1568268"	332.127006	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+K-2H"	36.948606
"956516"	340.176594	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-H+HCOOH"	44.998194
"374367"	635.355001	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+HCOOH-H"	44.998201
"359340"	649.370651	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+Hac-H"	59.013851
"1506349"	354.192251	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Hac-H"	59.013851
"970975"	362.158551	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-H+NaCOOH"	66.980151
"122068"	330.147802	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+2Cl"	69.938804
"559440"	477.737002	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+2Cl"	69.938804
"1030426"	182.558602	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2Cl"	69.938804
"1250369"	374.097285	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Br"	78.918885
"1310994"	376.153272	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Cl+HCOOH"	80.974872
"1327033"	398.135229	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Cl+NaCOOH"	102.956829
"916633"	408.163986	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M-H+CF3COOH"	112.985586
"1297722"	444.140664	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Cl+CF3COOH"	148.962264
"1375885"	260.165724	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H-2H2O"	-35.012676
"1391199"	278.1757	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H-H2O"	-17.0027
"291978"	591.364076	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+H"	1.007276
"684401"	886.542476	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+H"	1.007276
"1359658"	296.185676	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H"	1.007276
"134734"	296.185676	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+2H"	2.014552
"576482"	443.774876	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+2H"	2.014552
"1047473"	148.596476	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2H"	2.014552
"215371"	197.792876	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+3H"	3.021828
"654931"	296.185676	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+3H"	3.021828
"1173059"	99.400076	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+3H"	3.021828
"435239"	608.390623	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+NH4"	18.033823
"792951"	903.569023	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+NH4"	18.033823
"1691468"	313.212223	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+NH4"	18.033823
"336464"	304.6989495	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+H+NH4"	19.041099
"732165"	452.2881495	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+H+NH4"	19.041099
"1484892"	157.1097495	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H+NH4"	19.041099
"397012"	613.346018	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+Na"	22.989218
"764568"	908.524418	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+Na"	22.989218
"1613758"	318.167618	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Na"	22.989218
"321611"	307.176647	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+H+Na"	23.996494
"710753"	454.765847	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+H+Na"	23.996494
"1470050"	159.587447	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H+Na"	23.996494
"1058919"	106.72739	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2H+Na"	25.00377
"1268253"	328.211886	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+CH3OH+H"	33.033486
"390106"	629.319958	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+K"	38.963158
"743447"	924.498358	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+K"	38.963158
"1549875"	334.141558	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+K"	38.963158
"307052"	315.163617	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+H+K"	39.970434
"699480"	462.752817	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+H+K"	39.970434
"1454394"	167.574417	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H+K"	39.970434
"249195"	632.390626	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+ACN+H"	42.033826
"1223359"	337.212226	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+ACN+H"	42.033826
"1209069"	169.109751	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+ACN+2H"	43.041102
"203397"	635.32796	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+2Na-H"	44.97116
"639673"	930.50636	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+2Na-H"	44.97116
"1146462"	340.14956	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2Na-H"	44.97116
"181002"	318.167618	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+2Na"	45.978436
"626033"	465.756818	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+2Na"	45.978436
"1124070"	170.578418	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2Na"	45.978436
"1408687"	114.054704	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H+2Na"	46.985712
"1439708"	342.191146	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H+HCOOH"	47.012746
"227217"	323.20064	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+3H2O+2H"	56.04448
"1521839"	356.24319	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+IsoProp+H"	61.06479
"418250"	326.154588	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+Na+K"	61.952376
"781430"	473.743788	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+Na+K"	61.952376
"1677759"	178.565388	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Na+K"	61.952376
"263191"	654.372568	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+ACN+Na"	64.015768
"1235904"	359.194168	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+ACN+Na"	64.015768
"1725517"	359.217693	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+NH4+HCOOH"	64.039293
"1191963"	121.382018	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+3Na"	68.967654
"1658941"	364.173088	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Na+HCOOH"	68.994688
"163618"	667.27584	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+2K-H"	76.91904
"607550"	962.45424	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+2K-H"	76.91904
"1086597"	372.09744	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2K-H"	76.91904
"148881"	334.141558	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"2M+2K"	77.926316
"589534"	481.730758	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"3M+2K"	77.926316
"1079512"	186.552358	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2K"	77.926316
"1105067"	374.111992	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2K+H"	78.933592
"1348012"	374.199607	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+DMSO+H"	79.021207
"1009984"	378.238776	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2ACN+H"	83.060376
"1528109"	379.232408	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+IsoProp+Na+H"	84.054008
"995650"	189.623026	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+2ACN+2H"	84.067652
"1595621"	380.147028	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+K+HCOOH"	84.968628
"1424562"	410.178538	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+H+CF3COOH"	115.000138
"1158130"	210.136301	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+3ACN+2H"	125.094202
"1707680"	427.205085	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+NH4+CF3COOH"	132.026685
"1643335"	432.16048	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+Na+CF3COOH"	136.98208
"1577891"	448.13442	"C09899"	"Serratanidine"	"C16H25NO4"	"295.1784"	"M+K+CF3COOH"	152.95602
"804976"	136.1252	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M"	0
"974862"	117.10681	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"64565"	89.7428573333333	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"505217"	135.117924	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"881924"	44.3677906666667	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"68"	135.117924	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"442247"	203.180524	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"820050"	67.055324	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"84419"	271.243124	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"526166"	407.368324	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"906157"	135.117924	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"57251"	288.269671	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"497904"	424.394871	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"871332"	152.144471	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"34492"	293.225066	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"472105"	429.350266	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"850398"	157.099866	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1632699"	157.099866	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"109846"	153.106263	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"546601"	221.168863	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"940115"	85.043663	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"282728"	307.219802	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"675309"	443.345002	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1285693"	171.094602	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"26798"	309.199006	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"466719"	445.324206	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"843431"	173.073806	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1564731"	173.073806	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"955168"	181.123394	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"373019"	317.248601	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"359084"	331.264251	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1505729"	195.139051	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"972179"	203.105351	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"117075"	171.094602	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"557363"	239.157202	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1027620"	103.032002	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1252302"	215.044085	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1310740"	217.100072	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1325686"	239.082029	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"916743"	249.110786	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1299654"	285.087464	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1378182"	101.112524	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1391308"	119.1225	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"289171"	273.257676	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"686698"	409.382876	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1359769"	137.132476	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H"	1.007276
"137032"	137.132476	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"577685"	205.195076	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1041021"	69.069876	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"207827"	91.7574093333333	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"651761"	137.132476	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1172074"	46.3823426666667	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"435347"	290.284223	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"794154"	426.409423	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1687203"	154.159023	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"337670"	145.6457495	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"731185"	213.7083495	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1483909"	77.5831495	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"398216"	295.239618	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"763584"	431.364818	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1610588"	159.114418	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"321721"	148.123447	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"714143"	216.186047	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1469065"	80.060847	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1059029"	53.7096566666667	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1269456"	169.158686	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"388029"	311.213558	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"739911"	447.338758	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1551078"	175.088358	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+K"	38.963158
"308255"	156.110417	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"698495"	224.173017	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1454504"	88.047817	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"247480"	314.284226	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1215814"	178.159026	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1202978"	89.583151	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"200590"	317.22156	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"636503"	453.34676	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1142195"	181.09636	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"181111"	159.114418	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"623954"	227.177018	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1124180"	91.051818	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1405515"	61.0369706666667	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1436538"	183.137946	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"224046"	164.14744	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1512109"	197.18999	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"423461"	167.101388	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"781539"	235.163988	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1674588"	99.038788	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"262208"	336.266168	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1237103"	200.140968	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1726356"	200.164493	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1192073"	68.3642846666667	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1660145"	205.119888	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"167007"	349.16944	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"608753"	485.29464	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1088894"	213.04424	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"148992"	175.088358	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"590737"	243.150958	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1079622"	107.025758	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1105177"	215.058792	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1345936"	215.146407	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1010094"	219.185576	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1529312"	220.179208	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"995760"	110.096426	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1596825"	221.093828	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1424671"	251.125338	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1159333"	130.609701	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1708883"	268.151885	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1643445"	273.10728	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1578001"	289.08122	"C09900"	"gamma-Terpinene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"808366"	279.1834	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M"	0
"978619"	260.16501	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-H2O-H"	-19.01839
"64675"	185.114990666667	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M-3H"	-3.021828
"505327"	278.176124	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M-3H"	-3.021828
"882035"	92.0538573333333	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-3H"	-3.021828
"2796"	278.176124	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M-2H"	-2.014552
"443453"	417.767824	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M-2H"	-2.014552
"818704"	138.584424	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-2H"	-2.014552
"84529"	557.359524	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M-H"	-1.007276
"526276"	836.542924	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M-H"	-1.007276
"906267"	278.176124	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-H"	-1.007276
"57361"	574.386071	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M-2H+NH4"	16.019271
"492547"	853.569471	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M-2H+NH4"	16.019271
"871442"	295.202671	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-2H+NH4"	16.019271
"33509"	579.341466	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M-2H+Na"	20.974666
"472703"	858.524866	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M-2H+Na"	20.974666
"850508"	300.158066	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-2H+Na"	20.974666
"1631716"	300.158066	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Na-2H"	20.974666
"108974"	296.164463	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M-H+Cl"	33.962126
"546710"	435.756163	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M-H+Cl"	33.962126
"939132"	156.572763	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-H+Cl"	33.962126
"279884"	593.336202	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+Cl"	34.969402
"674489"	872.519602	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+Cl"	34.969402
"1281431"	314.152802	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Cl"	34.969402
"22900"	595.315406	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M-2H+K"	36.948606
"469017"	874.498806	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M-2H+K"	36.948606
"842449"	316.132006	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-2H+K"	36.948606
"1567027"	316.132006	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+K-2H"	36.948606
"951632"	324.181594	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-H+HCOOH"	44.998194
"373859"	603.365001	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+HCOOH-H"	44.998201
"357007"	617.380651	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+Hac-H"	59.013851
"1502558"	338.197251	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Hac-H"	59.013851
"970103"	346.163551	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-H+NaCOOH"	66.980151
"120102"	314.152802	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+2Cl"	69.938804
"559660"	453.744502	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+2Cl"	69.938804
"1029553"	174.561102	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2Cl"	69.938804
"1252412"	358.102285	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Br"	78.918885
"1310850"	360.158272	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Cl+HCOOH"	80.974872
"1326889"	382.140229	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Cl+NaCOOH"	102.956829
"916853"	392.168986	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M-H+CF3COOH"	112.985586
"1301587"	428.145664	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Cl+CF3COOH"	148.962264
"1379383"	244.170724	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H-2H2O"	-35.012676
"1390326"	262.1807	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H-H2O"	-17.0027
"288918"	559.374076	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+H"	1.007276
"685716"	838.557476	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+H"	1.007276
"1359879"	280.190676	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H"	1.007276
"137142"	280.190676	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+2H"	2.014552
"577795"	419.782376	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+2H"	2.014552
"1046598"	140.598976	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2H"	2.014552
"214498"	187.129542666667	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+3H"	3.021828
"655152"	280.190676	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+3H"	3.021828
"1174373"	94.0684093333333	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+3H"	3.021828
"435458"	576.400623	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+NH4"	18.033823
"790984"	855.584023	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+NH4"	18.033823
"1690595"	297.217223	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+NH4"	18.033823
"336687"	288.7039495	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+H+NH4"	19.041099
"734574"	428.2956495	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+H+NH4"	19.041099
"1486207"	149.1122495	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H+NH4"	19.041099
"401606"	581.356018	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+Na"	22.989218
"764787"	860.539418	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+Na"	22.989218
"1614707"	302.172618	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Na"	22.989218
"321831"	291.181647	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+H+Na"	23.996494
"716440"	430.773347	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+H+Na"	23.996494
"1469175"	151.589947	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H+Na"	23.996494
"1060232"	101.395723333333	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2H+Na"	25.00377
"1266286"	312.216886	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+CH3OH+H"	33.033486
"387047"	597.329958	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+K"	38.963158
"740749"	876.513358	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+K"	38.963158
"1544627"	318.146558	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+K"	38.963158
"300709"	299.168617	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+H+K"	39.970434
"698603"	438.760317	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+H+K"	39.970434
"1452427"	159.576917	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H+K"	39.970434
"246497"	600.400626	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+ACN+H"	42.033826
"1221392"	321.217226	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+ACN+H"	42.033826
"1200172"	161.112251	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+ACN+2H"	43.041102
"201065"	603.33796	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+2Na-H"	44.97116
"636613"	882.52136	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+2Na-H"	44.97116
"1139024"	324.15456	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2Na-H"	44.97116
"180128"	302.172618	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+2Na"	45.978436
"624064"	441.764318	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+2Na"	45.978436
"1125383"	162.580918	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2Na"	45.978436
"1400886"	108.723037333333	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H+2Na"	46.985712
"1435189"	326.196146	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H+HCOOH"	47.012746
"226343"	307.20564	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+3H2O+2H"	56.04448
"1516592"	340.24819	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+IsoProp+H"	61.06479
"421749"	310.159588	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+Na+K"	61.952376
"780556"	449.751288	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+Na+K"	61.952376
"1674698"	170.567888	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Na+K"	61.952376
"260130"	622.382568	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+ACN+Na"	64.015768
"1233932"	343.199168	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+ACN+Na"	64.015768
"1723911"	343.222693	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+NH4+HCOOH"	64.039293
"1192548"	116.050351333333	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+3Na"	68.967654
"1661348"	348.178088	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Na+HCOOH"	68.994688
"164931"	635.28584	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+2K-H"	76.91904
"606676"	914.46924	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+2K-H"	76.91904
"1091191"	356.10244	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2K-H"	76.91904
"149102"	318.146558	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"2M+2K"	77.926316
"588660"	457.738258	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"3M+2K"	77.926316
"1076452"	178.554858	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2K"	77.926316
"1107474"	358.116992	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2K+H"	78.933592
"1347139"	358.204607	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+DMSO+H"	79.021207
"1010204"	362.243776	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2ACN+H"	83.060376
"1529422"	363.237408	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+IsoProp+Na+H"	84.054008
"996963"	181.625526	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+2ACN+2H"	84.067652
"1596934"	364.152028	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+K+HCOOH"	84.968628
"1424782"	394.183538	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+H+CF3COOH"	115.000138
"1159444"	202.138801	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+3ACN+2H"	125.094202
"1708994"	411.210085	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+NH4+CF3COOH"	132.026685
"1643555"	416.16548	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+Na+CF3COOH"	136.98208
"1578111"	432.13942	"C09901"	"Serratine"	"C16H25NO3"	"279.1834"	"M+K+CF3COOH"	152.95602
"805196"	154.1358	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M"	0
"977633"	135.11741	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"65878"	101.749924	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"505801"	153.128524	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"886518"	50.371324	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"6185"	153.128524	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"443562"	230.196424	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"820271"	76.060624	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"83546"	307.264324	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"523106"	461.400124	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"906377"	153.128524	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"57471"	324.290871	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"493021"	478.426671	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"871552"	170.155071	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"33252"	329.246266	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"472933"	483.382066	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"850618"	175.110466	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1621246"	175.110466	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"100694"	171.116863	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"541353"	248.184763	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939242"	94.048963	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"279631"	343.241002	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"673265"	497.376802	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1281905"	189.105202	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"25196"	345.220206	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468035"	499.356006	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"844018"	191.084406	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1566773"	191.084406	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"952473"	199.133994	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"371783"	353.269801	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"356024"	367.285451	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1499388"	213.149651	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"969487"	221.115951	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"120212"	189.105202	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"559770"	266.173102	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1030757"	112.037302	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1252522"	233.054685	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1310960"	235.110672	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1326999"	257.092629	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"916235"	267.121386	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1295861"	303.098064	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1377672"	119.123124	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1393717"	137.1331	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"290121"	309.278876	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"687650"	463.414676	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1362176"	155.143076	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"136159"	155.143076	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"579365"	232.210976	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1046709"	78.075176	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"214608"	103.764476	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"654169"	155.143076	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1173387"	52.385876	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"435566"	326.305423	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"794374"	480.441223	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1688519"	172.169623	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"334610"	163.6563495	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"731404"	240.7242495	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1488501"	86.5884495	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"400621"	331.260818	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"764896"	485.396618	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1612994"	177.125018	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"325221"	166.134047	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"714363"	243.201947	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1468193"	89.066147	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1057063"	59.71319	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1266397"	187.169286	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"386064"	347.234758	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"740129"	501.370558	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1542551"	193.098958	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"299723"	174.121017	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"694340"	251.188917	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449257"	97.053117	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"241140"	350.305426	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1220409"	196.169626	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1199918"	98.588451	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"200082"	353.24276	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"636723"	507.37856	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1136947"	199.10696	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"179145"	177.125018	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"621987"	254.192918	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1124401"	100.057118	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1405736"	67.040504	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1438944"	201.148546	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"227546"	182.15804	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1517795"	215.20059	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"415299"	185.111988	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"777022"	262.179888	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1674808"	108.044088	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"259147"	372.287368	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1230762"	218.151568	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1719648"	218.175093	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1190470"	74.367818	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1661460"	223.130488	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"166136"	385.19064	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"607880"	539.32644	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1091301"	231.05484	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"154558"	193.098958	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"588771"	270.166858	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1075469"	116.031058	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1106491"	233.069392	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1346156"	233.157007	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1012501"	237.196176	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1531719"	238.189808	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"997073"	119.101726	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1597044"	239.104428	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1425985"	269.135938	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1158461"	139.615001	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1709104"	286.162485	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1643665"	291.11788	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1578221"	307.09182	"C09902"	"(R)-()-alpha-Terpineol;()-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"808587"	483.3825	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M"	0
"978839"	464.36411	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-H2O-H"	-19.01839
"67445"	321.247724	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M-3H"	-3.021828
"505546"	482.375224	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M-3H"	-3.021828
"885535"	160.120224	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-3H"	-3.021828
"4109"	482.375224	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M-2H"	-2.014552
"443672"	724.066474	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M-2H"	-2.014552
"820380"	240.683974	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-2H"	-2.014552
"89124"	965.757724	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M-H"	-1.007276
"524309"	1449.140224	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M-H"	-1.007276
"911229"	482.375224	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-H"	-1.007276
"57582"	982.784271	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M-2H+NH4"	16.019271
"498235"	1466.166771	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M-2H+NH4"	16.019271
"868381"	499.401771	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-2H+NH4"	16.019271
"33729"	987.739666	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M-2H+Na"	20.974666
"474749"	1471.122166	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M-2H+Na"	20.974666
"854740"	504.357166	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-2H+Na"	20.974666
"1625368"	504.357166	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Na-2H"	20.974666
"98617"	500.363563	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M-H+Cl"	33.962126
"544739"	742.054813	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M-H+Cl"	33.962126
"931692"	258.672313	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-H+Cl"	33.962126
"275732"	1001.734402	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+Cl"	34.969402
"673616"	1485.116902	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+Cl"	34.969402
"1282745"	518.351902	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Cl"	34.969402
"27130"	1003.713606	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M-2H+K"	36.948606
"468145"	1487.096106	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M-2H+K"	36.948606
"846922"	520.331106	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-2H+K"	36.948606
"1567247"	520.331106	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+K-2H"	36.948606
"951858"	528.380694	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-H+HCOOH"	44.998194
"371895"	1011.763201	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+HCOOH-H"	44.998201
"357597"	1025.778851	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+Hac-H"	59.013851
"1503874"	542.396351	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Hac-H"	59.013851
"969232"	550.362651	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-H+NaCOOH"	66.980151
"119229"	518.351902	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+2Cl"	69.938804
"559883"	760.043152	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+2Cl"	69.938804
"1029774"	276.660652	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2Cl"	69.938804
"1248624"	562.301385	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Br"	78.918885
"1311802"	564.357372	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Cl+HCOOH"	80.974872
"1328205"	586.339329	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Cl+NaCOOH"	102.956829
"920359"	596.368086	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M-H+CF3COOH"	112.985586
"1297066"	632.344764	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Cl+CF3COOH"	148.962264
"1372680"	448.369824	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H-2H2O"	-35.012676
"1398170"	466.3798	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H-H2O"	-17.0027
"293512"	967.772276	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+H"	1.007276
"690921"	1451.154776	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+H"	1.007276
"1364474"	484.389776	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H"	1.007276
"141214"	484.389776	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+2H"	2.014552
"581177"	726.081026	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+2H"	2.014552
"1052581"	242.698526	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2H"	2.014552
"219093"	323.262276	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+3H"	3.021828
"659759"	484.389776	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+3H"	3.021828
"1177874"	162.134776	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+3H"	3.021828
"439446"	984.798823	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+NH4"	18.033823
"793392"	1468.181323	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+NH4"	18.033823
"1690816"	501.416323	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+NH4"	18.033823
"342377"	492.9030495	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+H+NH4"	19.041099
"734797"	734.5942995	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+H+NH4"	19.041099
"1484243"	251.2117995	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H+NH4"	19.041099
"401828"	989.754218	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+Na"	22.989218
"766829"	1473.136718	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+Na"	22.989218
"1617114"	506.371718	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Na"	22.989218
"325331"	495.380747	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+H+Na"	23.996494
"717755"	737.071997	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+H+Na"	23.996494
"1471582"	253.689497	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H+Na"	23.996494
"1057175"	169.46209	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2H+Na"	25.00377
"1266507"	516.415986	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+CH3OH+H"	33.033486
"383988"	1005.728158	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+K"	38.963158
"740972"	1489.110658	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+K"	38.963158
"1543753"	522.345658	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+K"	38.963158
"302023"	503.367717	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+H+K"	39.970434
"696639"	745.058967	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+H+K"	39.970434
"1458115"	261.676467	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H+K"	39.970434
"245624"	1008.798826	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+ACN+H"	42.033826
"1219426"	525.416326	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+ACN+H"	42.033826
"1204402"	263.211801	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+ACN+2H"	43.041102
"200556"	1011.73616	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+2Na-H"	44.97116
"636835"	1495.11866	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+2Na-H"	44.97116
"1141434"	528.35366	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2Na-H"	44.97116
"180350"	506.371718	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+2Na"	45.978436
"622099"	748.062968	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+2Na"	45.978436
"1124510"	264.680468	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2Na"	45.978436
"1408034"	176.789404	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H+2Na"	46.985712
"1440878"	530.395246	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H+HCOOH"	47.012746
"228750"	511.40474	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+3H2O+2H"	56.04448
"1517905"	544.44729	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+IsoProp+H"	61.06479
"415410"	514.358688	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+Na+K"	61.952376
"777499"	756.049938	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+Na+K"	61.952376
"1668361"	272.667438	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Na+K"	61.952376
"261445"	1030.780768	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+ACN+Na"	64.015768
"1234152"	547.398268	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+ACN+Na"	64.015768
"1716478"	547.421793	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+NH4+HCOOH"	64.039293
"1190580"	184.116718	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+3Na"	68.967654
"1663755"	552.377188	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Na+HCOOH"	68.994688
"169525"	1043.68404	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+2K-H"	76.91904
"607991"	1527.06654	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+2K-H"	76.91904
"1098460"	560.30154	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2K-H"	76.91904
"156127"	522.345658	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"2M+2K"	77.926316
"589974"	764.036908	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"3M+2K"	77.926316
"1083722"	280.654408	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2K"	77.926316
"1109881"	562.316092	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2K+H"	78.933592
"1345173"	562.403707	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+DMSO+H"	79.021207
"1012611"	566.442876	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2ACN+H"	83.060376
"1534017"	567.436508	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+IsoProp+Na+H"	84.054008
"997183"	283.725076	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+2ACN+2H"	84.067652
"1596061"	568.351128	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+K+HCOOH"	84.968628
"1426095"	598.382638	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+H+CF3COOH"	115.000138
"1158571"	304.238351	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+3ACN+2H"	125.094202
"1708121"	615.409185	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+NH4+CF3COOH"	132.026685
"1643775"	620.36458	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+Na+CF3COOH"	136.98208
"1578331"	636.33852	"C09903"	"Spirolucidine"	"C30H49N3O2"	"483.3825"	"M+K+CF3COOH"	152.95602
"805416"	164.0837	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M"	0
"975667"	145.06531	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"68285"	108.381857333333	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"504561"	163.076424	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"883461"	53.6872906666667	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"942"	163.076424	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"442690"	245.118274	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"817409"	81.034574	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"83766"	327.160124	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"529889"	491.243824	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"906598"	163.076424	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"53319"	344.186671	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"492879"	508.270371	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"865571"	180.102971	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"31886"	349.142066	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"471696"	513.225766	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"850108"	185.058366	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1622198"	185.058366	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"99820"	181.064763	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"541569"	263.106613	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"931802"	99.022913	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"280216"	363.136802	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"672633"	527.220502	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1286858"	199.053102	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"27969"	365.116006	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"468984"	529.199706	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"847153"	201.032306	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1568815"	201.032306	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"950874"	209.081894	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"371639"	373.165601	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"358800"	387.181251	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1502890"	223.097551	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"969706"	231.063851	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"119705"	199.053102	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"561087"	281.094952	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1028426"	117.011252	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1249462"	243.002585	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1314099"	245.058572	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1328315"	267.040529	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"921562"	277.069286	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1297176"	313.045964	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1373153"	129.071024	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1392842"	147.081	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"298482"	329.174676	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"688231"	493.258376	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1366973"	165.090976	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"141275"	165.090976	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"581371"	247.132826	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1052704"	83.049126	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"219961"	110.396409333333	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"658399"	165.090976	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1175431"	55.7018426666667	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"438827"	346.201223	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"793502"	510.284923	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1695667"	182.117523	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"343581"	173.6042495	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"737458"	255.6460995	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1487633"	91.5623995	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"404125"	351.156618	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"767303"	515.240318	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1618239"	187.072918	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"327627"	176.081947	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"720051"	258.123797	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1471692"	94.040097	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1062752"	63.0291566666667	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1265524"	197.117186	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"383004"	367.130558	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"745092"	531.214258	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1543864"	203.046858	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"303228"	184.068917	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"698935"	266.110767	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1456038"	102.027067	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"242452"	370.201226	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1218440"	206.117526	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1204512"	103.562401	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"200301"	373.13856	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"638401"	537.22226	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1139357"	209.05486	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"182646"	187.072918	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"621842"	269.114768	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1126806"	105.031068	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1411060"	70.3564706666667	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1442084"	211.096446	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"232142"	192.10594	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1522390"	225.14849	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"419892"	195.059888	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"778703"	277.101738	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1678314"	113.018038	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"264835"	392.183168	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1240340"	228.099468	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1727281"	228.122993	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1192877"	77.6837846666667	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1665207"	233.078388	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"170731"	405.08644	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"610290"	569.17014	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1097962"	241.00274	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"152712"	203.046858	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"593366"	285.088708	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1083103"	121.005008	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1112182"	243.017292	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1346377"	243.104907	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1012721"	247.144076	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1535222"	248.137708	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"1000575"	124.075676	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1595078"	249.052328	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1428029"	279.083838	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1160868"	144.588951	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1708231"	296.110385	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1643883"	301.06578	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1575161"	317.03972	"C09904"	"beta-Thujaplicin;Hinokitiol;4-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"808806"	164.0837	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M"	0
"977962"	145.06531	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"68395"	108.381857333333	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"506859"	163.076424	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"884664"	53.6872906666667	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"3237"	163.076424	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"444987"	245.118274	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"819507"	81.034574	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"83876"	327.160124	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"530000"	491.243824	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"908895"	163.076424	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"57803"	344.186671	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"492989"	508.270371	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"864951"	180.102971	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"32118"	349.142066	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"472412"	513.225766	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"850219"	185.058366	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1621215"	185.058366	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"101024"	181.064763	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"543866"	263.106613	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"935193"	99.022913	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"280688"	363.136802	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"673471"	527.220502	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1286966"	199.053102	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"25519"	365.116006	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"469460"	529.199706	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"845806"	201.032306	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1570873"	201.032306	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"955719"	209.081894	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"372113"	373.165601	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"359275"	387.181251	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1504093"	223.097551	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"968725"	231.063851	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"121274"	199.053102	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"560102"	281.094952	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1029995"	117.011252	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1250666"	243.002585	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1314209"	245.058572	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1328426"	267.040529	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"923495"	277.069286	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1297284"	313.045964	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1377639"	129.071024	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1388579"	147.081	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"297014"	329.174676	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"689800"	493.258376	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1365665"	165.090976	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"141196"	165.090976	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"581368"	247.132826	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1052732"	83.049126	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"219193"	110.396409333333	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"658144"	165.090976	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1178056"	55.7018426666667	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"439061"	346.201223	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"794706"	510.284923	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1695778"	182.117523	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"344786"	173.6042495	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"735747"	255.6460995	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1489929"	91.5623995	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"405329"	351.156618	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"768144"	515.240318	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1616974"	187.072918	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"327010"	176.081947	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"720527"	258.123797	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1471802"	94.040097	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1062862"	63.0291566666667	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1264540"	197.117186	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"386395"	367.130558	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"743015"	531.214258	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1545067"	203.046858	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"302243"	184.068917	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"696858"	266.110767	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1450680"	102.027067	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"240376"	370.201226	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1216364"	206.117526	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1201341"	103.562401	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"198588"	373.13856	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"639240"	537.22226	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1139467"	209.05486	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"183120"	187.072918	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"622681"	269.114768	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1127280"	105.031068	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1410077"	70.3564706666667	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1441466"	211.096446	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"231159"	192.10594	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1521773"	225.14849	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"416719"	195.059888	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"779906"	277.101738	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1678424"	113.018038	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"264945"	392.183168	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1240692"	228.099468	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1725446"	228.122993	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1192987"	77.6837846666667	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1662880"	233.078388	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"172500"	405.08644	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"612100"	569.17014	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1098072"	241.00274	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"149542"	203.046858	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"590196"	285.088708	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1080175"	121.005008	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1110104"	243.017292	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1344300"	243.104907	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1012831"	247.144076	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1537154"	248.137708	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"1000685"	124.075676	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1595188"	249.052328	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1425223"	279.083838	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1161343"	144.588951	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1706154"	296.110385	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1647273"	301.06578	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1575271"	317.03972	"C09905"	"gamma-Thujaplicin;5-Isopropyltropolone"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"814384"	152.1201	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M"	0
"982448"	133.10171	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"75067"	100.406124	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"505878"	151.112824	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"883681"	49.699424	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"1161"	151.112824	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"445098"	227.172874	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"818889"	75.052774	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"83986"	303.232924	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"531203"	455.353024	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908641"	151.112824	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"57913"	320.259471	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"493099"	472.379571	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"865425"	168.139371	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"32957"	325.214866	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"472036"	477.334966	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"848913"	173.094766	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1621324"	173.094766	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"97853"	169.101163	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"538508"	245.161213	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"932023"	93.041113	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"279704"	339.209602	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"671396"	491.329702	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1284159"	187.089502	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"24901"	341.188806	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"468106"	493.308906	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"845176"	189.068706	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1568667"	189.068706	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"954364"	197.118294	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"373673"	349.238401	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"360602"	363.254051	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1505663"	211.133951	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"971021"	219.100251	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"120653"	187.089502	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"560942"	263.149552	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1026826"	111.029452	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1250775"	231.038985	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1314320"	233.094972	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1329629"	255.076929	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"925064"	265.105686	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1300676"	301.082364	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1379934"	117.107424	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1397317"	135.1174	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"297615"	305.247476	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"690397"	457.367576	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1366262"	153.127376	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"140617"	153.127376	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"581071"	229.187426	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1052385"	77.067326	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"219636"	102.420676	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"659804"	153.127376	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1178171"	51.713976	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"439051"	322.274023	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"800895"	474.394123	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1695766"	170.153923	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"345391"	161.6406495	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"736586"	237.7006995	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1490406"	85.5805995	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"406170"	327.229418	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"768378"	479.349518	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1616720"	175.109318	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"326392"	164.118347	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"721125"	240.178397	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1473007"	88.058297	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1064066"	59.04129	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1266837"	185.153586	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"387599"	343.203358	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"745313"	495.323458	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1545177"	191.083258	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"300166"	172.105317	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"694778"	248.165367	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1450788"	96.045267	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"241580"	346.274026	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1216473"	194.153926	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1200722"	97.580601	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"200521"	349.21136	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"636434"	501.33146	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1142859"	197.09126	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"185054"	175.109318	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"623521"	251.169368	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1129215"	99.049268	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1410551"	66.368604	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1441212"	199.132846	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"232362"	180.14234	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1520425"	213.18489	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"416829"	183.096288	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"781109"	259.156338	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1678534"	107.036238	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"265055"	368.255968	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1240560"	216.135868	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1727622"	216.159393	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1193828"	73.695918	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1665302"	221.114788	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"172040"	381.15924	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"612089"	533.27934	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1095021"	229.03914	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"154027"	191.083258	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"595897"	267.143308	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1078098"	115.023208	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1110944"	231.053692	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1342223"	231.141307	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1016222"	235.180476	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1534348"	236.174108	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1001890"	118.093876	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1596392"	237.088728	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1422052"	267.120238	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1158901"	138.607151	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1709544"	284.146785	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1647019"	289.10218	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1585222"	305.07612	"C09906"	"Thujone;(-)-3-Isothujone;(-)-3-Thujanone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"805746"	192.0899	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M"	0
"978182"	173.07151	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-H2O-H"	-19.01839
"69708"	127.052657333333	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M-3H"	-3.021828
"507444"	191.082624	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M-3H"	-3.021828
"884884"	63.0226906666667	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-3H"	-3.021828
"2000"	191.082624	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M-2H"	-2.014552
"447394"	287.127574	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M-2H"	-2.014552
"823008"	95.037674	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-2H"	-2.014552
"84096"	383.172524	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M-H"	-1.007276
"532409"	575.262424	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M-H"	-1.007276
"910334"	191.082624	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-H"	-1.007276
"58023"	400.199071	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M-2H+NH4"	16.019271
"493209"	592.288971	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M-2H+NH4"	16.019271
"868451"	208.109171	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-2H+NH4"	16.019271
"32948"	405.154466	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M-2H+Na"	20.974666
"473361"	597.244366	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M-2H+Na"	20.974666
"849710"	213.064566	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-2H+Na"	20.974666
"1624714"	213.064566	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Na-2H"	20.974666
"97963"	209.070963	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M-H+Cl"	33.962126
"538618"	305.115913	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M-H+Cl"	33.962126
"932133"	113.026013	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-H+Cl"	33.962126
"279451"	419.149202	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+Cl"	34.969402
"671507"	611.239102	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+Cl"	34.969402
"1284998"	227.059302	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Cl"	34.969402
"19169"	421.128406	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M-2H+K"	36.948606
"465291"	613.218306	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M-2H+K"	36.948606
"840906"	229.038506	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-2H+K"	36.948606
"1571091"	229.038506	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+K-2H"	36.948606
"955563"	237.088094	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-H+HCOOH"	44.998194
"372687"	429.178001	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+HCOOH-H"	44.998201
"359495"	443.193651	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+Hac-H"	59.013851
"1503948"	251.103751	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Hac-H"	59.013851
"970763"	259.070051	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-H+NaCOOH"	66.980151
"119668"	227.059302	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+2Cl"	69.938804
"556310"	323.104252	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+2Cl"	69.938804
"1032401"	131.014352	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2Cl"	69.938804
"1250885"	271.008785	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Br"	78.918885
"1312241"	273.064772	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Cl+HCOOH"	80.974872
"1329736"	295.046729	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Cl+NaCOOH"	102.956829
"919703"	305.075486	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M-H+CF3COOH"	112.985586
"1294224"	341.052164	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Cl+CF3COOH"	148.962264
"1377856"	157.077224	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H-2H2O"	-35.012676
"1395358"	175.0872	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H-H2O"	-17.0027
"293955"	385.187076	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+H"	1.007276
"688561"	577.276976	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+H"	1.007276
"1366010"	193.097176	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H"	1.007276
"140483"	193.097176	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+2H"	2.014552
"581101"	289.142126	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+2H"	2.014552
"1051889"	97.052226	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2H"	2.014552
"218817"	129.067209333333	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+3H"	3.021828
"659104"	193.097176	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+3H"	3.021828
"1178074"	65.0372426666667	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+3H"	3.021828
"438792"	402.213623	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+NH4"	18.033823
"800638"	594.303523	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+NH4"	18.033823
"1695633"	210.123723	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+NH4"	18.033823
"343182"	201.6104495	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+H+NH4"	19.041099
"735968"	297.6553995	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+H+NH4"	19.041099
"1489786"	105.5654995	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H+NH4"	19.041099
"408104"	407.169018	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+Na"	22.989218
"768731"	599.258918	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+Na"	22.989218
"1617923"	215.079118	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Na"	22.989218
"327962"	204.088147	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+H+Na"	23.996494
"721841"	300.133097	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+H+Na"	23.996494
"1473117"	108.043197	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H+Na"	23.996494
"1064176"	72.3645566666667	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2H+Na"	25.00377
"1265854"	225.123386	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+CH3OH+H"	33.033486
"385522"	423.142958	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+K"	38.963158
"746516"	615.232858	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+K"	38.963158
"1545287"	231.053058	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+K"	38.963158
"305742"	212.075117	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+H+K"	39.970434
"694884"	308.120067	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+H+K"	39.970434
"1449805"	116.030167	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H+K"	39.970434
"242783"	426.213626	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+ACN+H"	42.033826
"1215490"	234.123726	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+ACN+H"	42.033826
"1201926"	117.565501	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+ACN+2H"	43.041102
"200267"	429.15096	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+2Na-H"	44.97116
"638367"	621.24086	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+2Na-H"	44.97116
"1142969"	237.06106	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2Na-H"	44.97116
"186383"	215.079118	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+2Na"	45.978436
"626183"	311.124068	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+2Na"	45.978436
"1129326"	119.034168	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2Na"	45.978436
"1410661"	79.6918706666667	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H+2Na"	46.985712
"1442051"	239.102646	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H+HCOOH"	47.012746
"233446"	220.11214	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+3H2O+2H"	56.04448
"1522480"	253.15469	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+IsoProp+H"	61.06479
"416939"	223.066088	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+Na+K"	61.952376
"782312"	319.111038	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+Na+K"	61.952376
"1676455"	127.021138	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Na+K"	61.952376
"265165"	448.195568	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+ACN+Na"	64.015768
"1238967"	256.105668	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+ACN+Na"	64.015768
"1726760"	256.129193	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+NH4+HCOOH"	64.039293
"1193089"	87.0191846666667	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+3Na"	68.967654
"1664686"	261.084588	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Na+HCOOH"	68.994688
"168870"	461.09884	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+2K-H"	76.91904
"609529"	653.18874	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+2K-H"	76.91904
"1095131"	269.00894	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2K-H"	76.91904
"153043"	231.053058	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"2M+2K"	77.926316
"595157"	327.098008	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"3M+2K"	77.926316
"1079301"	135.008108	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2K"	77.926316
"1109231"	271.023492	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2K+H"	78.933592
"1343428"	271.111107	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+DMSO+H"	79.021207
"1013053"	275.150276	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2ACN+H"	83.060376
"1533365"	276.143908	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+IsoProp+Na+H"	84.054008
"1003093"	138.078776	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+2ACN+2H"	84.067652
"1596502"	277.058528	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+K+HCOOH"	84.968628
"1423255"	307.090038	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+H+CF3COOH"	115.000138
"1159012"	158.592051	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+3ACN+2H"	125.094202
"1706374"	324.116585	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+NH4+CF3COOH"	132.026685
"1644213"	329.07198	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+Na+CF3COOH"	136.98208
"1585332"	345.04592	"C09907"	"Acanthicifoline"	"C10H12N2O2"	"192.0899"	"M+K+CF3COOH"	152.95602
"809136"	150.1045	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M"	0
"976107"	131.08611	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"68725"	99.0623906666667	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"504275"	149.097224	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"887181"	49.0275573333333	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"4662"	149.097224	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"442035"	224.149474	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"823119"	74.044974	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"84206"	299.201724	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"531423"	449.306224	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"910443"	149.097224	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"59226"	316.228271	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"493319"	466.332771	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"867105"	166.123771	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"32814"	321.183666	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"473107"	471.288166	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"851155"	171.079166	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1624824"	171.079166	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"98073"	167.085563	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"538728"	242.137813	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"931148"	92.033313	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"276277"	335.178402	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"666510"	485.282902	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1281098"	185.073902	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"22558"	337.157606	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"463214"	487.262106	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"842108"	187.053106	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1562323"	187.053106	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"950204"	195.102694	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"369513"	345.207201	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"359604"	359.222851	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1505152"	209.118351	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"971239"	217.084651	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"120508"	185.073902	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"558243"	260.126152	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1032513"	110.021652	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1252088"	229.023385	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1308341"	231.079372	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1327659"	253.061329	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"917626"	263.090086	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1291781"	299.066764	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1369217"	115.091824	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1397981"	133.1018	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"295887"	301.216276	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"687578"	451.320776	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1366993"	151.111776	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H"	1.007276
"140958"	151.111776	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"581096"	226.164026	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1052487"	76.059526	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"219899"	101.076942666667	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"659581"	151.111776	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1177209"	51.0421093333333	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"439143"	318.242823	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"801112"	468.347323	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1696926"	168.138323	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"345439"	159.6250495	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"738109"	234.6772995	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1492687"	84.5727995	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"408379"	323.198218	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"769691"	473.302718	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1618030"	173.093718	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"329163"	162.102747	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"721713"	237.154997	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1467027"	87.050497	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1056264"	58.3694233333333	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1261587"	183.137986	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"383444"	339.172158	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"742249"	489.276658	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1545395"	189.067658	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+K"	38.963158
"304757"	170.089717	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"693900"	245.141967	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1453195"	95.037467	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"243985"	342.242826	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1215600"	192.138326	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1203859"	96.572801	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"200013"	345.18016	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"637383"	495.28466	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1143078"	195.07566	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"179441"	173.093718	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"622647"	248.145968	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1123966"	98.041468	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1408220"	65.6967373333333	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1439607"	197.117246	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"230395"	178.12674	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1519916"	211.16929	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"415956"	181.080688	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"781330"	256.132938	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1674380"	106.028438	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"264182"	364.224768	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1237984"	214.120268	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1727600"	214.143793	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1192591"	73.0240513333333	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1663209"	219.099188	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"171292"	377.12804	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"609272"	527.23254	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1097428"	227.02354	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"148780"	189.067658	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"593807"	264.119908	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1077225"	114.015408	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1106062"	229.038092	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1346818"	229.125707	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1013162"	233.164876	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1529100"	234.158508	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"999922"	117.086076	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1594425"	235.073128	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1420085"	265.104638	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1154747"	137.599351	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1710131"	282.131185	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1644323"	287.08658	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1585442"	303.06052	"C09908"	"Thymol"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"805966"	192.115	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M"	0
"975120"	173.09661	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-H2O-H"	-19.01839
"68835"	127.069390666667	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M-3H"	-3.021828
"506207"	191.107724	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M-3H"	-3.021828
"885104"	63.0310573333333	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-3H"	-3.021828
"1853"	191.107724	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M-2H"	-2.014552
"442872"	287.165224	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M-2H"	-2.014552
"821042"	95.050224	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-2H"	-2.014552
"84316"	383.222724	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M-H"	-1.007276
"531533"	575.337724	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M-H"	-1.007276
"909335"	191.107724	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-H"	-1.007276
"59336"	400.249271	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M-2H+NH4"	16.019271
"493429"	592.364271	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M-2H+NH4"	16.019271
"866122"	208.134271	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-2H+NH4"	16.019271
"32319"	405.204666	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M-2H+Na"	20.974666
"473217"	597.319666	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M-2H+Na"	20.974666
"851020"	213.089666	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-2H+Na"	20.974666
"1622747"	213.089666	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Na-2H"	20.974666
"99276"	209.096063	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M-H+Cl"	33.962126
"538838"	305.153563	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M-H+Cl"	33.962126
"930529"	113.038563	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-H+Cl"	33.962126
"276387"	419.199402	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+Cl"	34.969402
"666620"	611.314402	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+Cl"	34.969402
"1283395"	227.084402	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Cl"	34.969402
"23762"	421.178606	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M-2H+K"	36.948606
"461137"	613.293606	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M-2H+K"	36.948606
"838938"	229.063606	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-2H+K"	36.948606
"1564620"	229.063606	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+K-2H"	36.948606
"947032"	237.113194	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-H+HCOOH"	44.998194
"370717"	429.228201	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+HCOOH-H"	44.998201
"356788"	443.243851	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+Hac-H"	59.013851
"1501981"	251.128851	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Hac-H"	59.013851
"971348"	259.095151	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-H+NaCOOH"	66.980151
"121347"	227.084402	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+2Cl"	69.938804
"555073"	323.141902	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+2Cl"	69.938804
"1032621"	131.026902	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2Cl"	69.938804
"1253292"	271.033885	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Br"	78.918885
"1314647"	273.089872	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Cl+HCOOH"	80.974872
"1327769"	295.071829	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Cl+NaCOOH"	102.956829
"921016"	305.100586	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M-H+CF3COOH"	112.985586
"1294443"	341.077264	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Cl+CF3COOH"	148.962264
"1368231"	157.102324	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H-2H2O"	-35.012676
"1396673"	175.1123	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H-H2O"	-17.0027
"296360"	385.237276	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+H"	1.007276
"688416"	577.352276	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+H"	1.007276
"1366961"	193.122276	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H"	1.007276
"140902"	193.122276	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+2H"	2.014552
"581155"	289.179776	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+2H"	2.014552
"1052738"	97.064776	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2H"	2.014552
"219394"	129.083942666667	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+3H"	3.021828
"659846"	193.122276	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+3H"	3.021828
"1174160"	65.0456093333333	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+3H"	3.021828
"437067"	402.263823	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+NH4"	18.033823
"799887"	594.378823	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+NH4"	18.033823
"1696929"	210.148823	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+NH4"	18.033823
"343038"	201.6355495	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+H+NH4"	19.041099
"736917"	297.6930495	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+H+NH4"	19.041099
"1490369"	105.5780495	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H+NH4"	19.041099
"407227"	407.219218	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+Na"	22.989218
"769729"	599.334218	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+Na"	22.989218
"1618144"	215.104218	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Na"	22.989218
"329232"	204.113247	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+H+Na"	23.996494
"721331"	300.170747	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+H+Na"	23.996494
"1468961"	108.055747	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H+Na"	23.996494
"1057103"	72.3729233333333	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2H+Na"	25.00377
"1259875"	225.148486	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+CH3OH+H"	33.033486
"383552"	423.193158	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+K"	38.963158
"740294"	615.308158	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+K"	38.963158
"1542226"	231.078158	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+K"	38.963158
"303775"	212.100217	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+H+K"	39.970434
"697293"	308.157717	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+H+K"	39.970434
"1453305"	116.042717	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H+K"	39.970434
"241908"	426.263826	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+ACN+H"	42.033826
"1212429"	234.148826	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+ACN+H"	42.033826
"1203969"	117.578051	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+ACN+2H"	43.041102
"197936"	429.20116	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+2Na-H"	44.97116
"634577"	621.31616	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+2Na-H"	44.97116
"1143918"	237.08616	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2Na-H"	44.97116
"179187"	215.104218	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+2Na"	45.978436
"620570"	311.161718	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+2Na"	45.978436
"1121890"	119.046718	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2Na"	45.978436
"1408694"	79.7002373333333	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H+2Na"	46.985712
"1438622"	239.127746	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H+HCOOH"	47.012746
"232329"	220.13724	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+3H2O+2H"	56.04448
"1521847"	253.17979	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+IsoProp+H"	61.06479
"420440"	223.091188	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+Na+K"	61.952376
"782168"	319.148688	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+Na+K"	61.952376
"1674489"	127.033688	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Na+K"	61.952376
"261012"	448.245768	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+ACN+Na"	64.015768
"1238094"	256.130768	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+ACN+Na"	64.015768
"1727346"	256.154293	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+NH4+HCOOH"	64.039293
"1193674"	87.0275513333333	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+3Na"	68.967654
"1662226"	261.109688	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Na+HCOOH"	68.994688
"171767"	461.14904	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+2K-H"	76.91904
"609745"	653.26404	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+2K-H"	76.91904
"1095351"	269.03404	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2K-H"	76.91904
"152899"	231.078158	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"2M+2K"	77.926316
"593917"	327.135658	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"3M+2K"	77.926316
"1079522"	135.020658	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2K"	77.926316
"1108358"	271.048592	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2K+H"	78.933592
"1348021"	271.136207	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+DMSO+H"	79.021207
"1013272"	275.175376	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2ACN+H"	83.060376
"1529210"	276.169008	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+IsoProp+Na+H"	84.054008
"998939"	138.091326	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+2ACN+2H"	84.067652
"1594535"	277.083628	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+K+HCOOH"	84.968628
"1420195"	307.115138	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+H+CF3COOH"	115.000138
"1158138"	158.604601	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+3ACN+2H"	125.094202
"1710606"	324.141685	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+NH4+CF3COOH"	132.026685
"1644433"	329.09708	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+Na+CF3COOH"	136.98208
"1585552"	345.07102	"C09909"	"Thymyl acetate"	"C12H16O2"	"192.115"	"M+K+CF3COOH"	152.95602
"806076"	147.1048	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M"	0
"976326"	128.08641	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-H2O-H"	-19.01839
"64569"	97.0625906666667	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M-3H"	-3.021828
"505224"	146.097524	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M-3H"	-3.021828
"881934"	48.0276573333333	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-3H"	-3.021828
"300"	146.097524	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M-2H"	-2.014552
"441160"	219.649924	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M-2H"	-2.014552
"822245"	72.545124	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-2H"	-2.014552
"79680"	293.202324	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M-H"	-1.007276
"532372"	440.307124	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M-H"	-1.007276
"909445"	146.097524	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-H"	-1.007276
"58351"	310.228871	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M-2H+NH4"	16.019271
"492446"	457.333671	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M-2H+NH4"	16.019271
"865140"	163.124071	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-2H+NH4"	16.019271
"33040"	315.184266	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M-2H+Na"	20.974666
"472965"	462.289066	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M-2H+Na"	20.974666
"848862"	168.079466	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-2H+Na"	20.974666
"1621764"	168.079466	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Na-2H"	20.974666
"98293"	164.085863	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M-H+Cl"	33.962126
"538948"	237.638263	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M-H+Cl"	33.962126
"932461"	90.533463	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-H+Cl"	33.962126
"274310"	329.179002	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+Cl"	34.969402
"664543"	476.283802	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+Cl"	34.969402
"1283505"	182.074202	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Cl"	34.969402
"21685"	331.158206	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M-2H+K"	36.948606
"463434"	478.263006	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M-2H+K"	36.948606
"839048"	184.053406	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-2H+K"	36.948606
"1558161"	184.053406	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+K-2H"	36.948606
"943612"	192.102994	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-H+HCOOH"	44.998194
"368640"	339.207801	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+HCOOH-H"	44.998201
"353982"	353.223451	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+Hac-H"	59.013851
"1501362"	206.118651	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Hac-H"	59.013851
"972187"	214.084951	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-H+NaCOOH"	66.980151
"122185"	182.074202	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+2Cl"	69.938804
"555183"	255.626602	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+2Cl"	69.938804
"1027629"	108.521802	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2Cl"	69.938804
"1251215"	226.023685	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Br"	78.918885
"1314757"	228.079672	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Cl+HCOOH"	80.974872
"1327879"	250.061629	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Cl+NaCOOH"	102.956829
"918939"	260.090386	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M-H+CF3COOH"	112.985586
"1294553"	296.067064	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Cl+CF3COOH"	148.962264
"1373812"	112.092124	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H-2H2O"	-35.012676
"1397149"	130.1021	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H-H2O"	-17.0027
"296470"	295.216876	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+H"	1.007276
"688890"	442.321676	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+H"	1.007276
"1366808"	148.112076	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H"	1.007276
"140320"	148.112076	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+2H"	2.014552
"581108"	221.664476	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+2H"	2.014552
"1052617"	74.559676	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2H"	2.014552
"219140"	99.0771426666667	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+3H"	3.021828
"659429"	148.112076	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+3H"	3.021828
"1177879"	50.0422093333333	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+3H"	3.021828
"438637"	312.243423	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+NH4"	18.033823
"800934"	459.348223	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+NH4"	18.033823
"1696416"	165.138623	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+NH4"	18.033823
"345581"	156.6253495	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+H+NH4"	19.041099
"738420"	230.1777495	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+H+NH4"	19.041099
"1492500"	83.0729495	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H+NH4"	19.041099
"408382"	317.198818	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+Na"	22.989218
"769760"	464.303618	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+Na"	22.989218
"1618098"	170.094018	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Na"	22.989218
"329632"	159.103047	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+H+Na"	23.996494
"722174"	232.655447	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+H+Na"	23.996494
"1467979"	85.550647	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H+Na"	23.996494
"1057945"	57.3695233333333	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2H+Na"	25.00377
"1263997"	180.138286	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+CH3OH+H"	33.033486
"385853"	333.172758	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+K"	38.963158
"744660"	480.277558	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+K"	38.963158
"1552180"	186.067958	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+K"	38.963158
"308260"	167.090017	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+H+K"	39.970434
"694121"	240.642417	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+H+K"	39.970434
"1450131"	93.537617	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H+K"	39.970434
"244205"	336.243426	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+ACN+H"	42.033826
"1212540"	189.138626	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+ACN+H"	42.033826
"1204079"	95.072951	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+ACN+2H"	43.041102
"200231"	339.18076	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+2Na-H"	44.97116
"637603"	486.28556	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+2Na-H"	44.97116
"1143664"	192.07596	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2Na-H"	44.97116
"182213"	170.094018	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+2Na"	45.978436
"622867"	243.646418	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+2Na"	45.978436
"1126374"	96.541618	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2Na"	45.978436
"1410991"	64.6968373333333	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H+2Na"	46.985712
"1442012"	194.117546	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H+HCOOH"	47.012746
"232804"	175.12704	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+3H2O+2H"	56.04448
"1521959"	208.16959	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+IsoProp+H"	61.06479
"422736"	178.080988	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+Na+K"	61.952376
"781548"	251.633388	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+Na+K"	61.952376
"1674599"	104.528588	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Na+K"	61.952376
"262215"	358.225368	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+ACN+Na"	64.015768
"1239297"	211.120568	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+ACN+Na"	64.015768
"1727093"	211.144093	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+NH4+HCOOH"	64.039293
"1193539"	72.0241513333333	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+3Na"	68.967654
"1663430"	216.099488	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Na+HCOOH"	68.994688
"169200"	371.12864	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+2K-H"	76.91904
"611677"	518.23344	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+2K-H"	76.91904
"1095461"	224.02384	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2K-H"	76.91904
"153739"	186.067958	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"2M+2K"	77.926316
"590746"	259.620358	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"3M+2K"	77.926316
"1077444"	112.515558	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2K"	77.926316
"1110654"	226.038392	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2K+H"	78.933592
"1344851"	226.126007	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+DMSO+H"	79.021207
"1012289"	230.165176	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2ACN+H"	83.060376
"1532601"	231.158808	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+IsoProp+Na+H"	84.054008
"1001236"	115.586226	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+2ACN+2H"	84.067652
"1593552"	232.073428	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+K+HCOOH"	84.968628
"1423585"	262.104938	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+H+CF3COOH"	115.000138
"1158248"	136.099501	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+3ACN+2H"	125.094202
"1711080"	279.131485	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+NH4+CF3COOH"	132.026685
"1644543"	284.08688	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+Na+CF3COOH"	136.98208
"1585662"	300.06082	"C09910"	"Actinidine;(-)-Actinidine"	"C10H13N"	"147.1048"	"M+K+CF3COOH"	152.95602
"806186"	150.1045	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M"	0
"974324"	131.08611	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"63586"	99.0623906666667	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"505334"	149.097224	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"882044"	49.0275573333333	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"91"	149.097224	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"440076"	224.149474	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"822355"	74.044974	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"78775"	299.201724	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"529566"	449.306224	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"904088"	149.097224	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"49714"	316.228271	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"492556"	466.332771	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"865247"	166.123771	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"31689"	321.183666	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"472344"	471.288166	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"849420"	171.079166	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1621874"	171.079166	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"96216"	167.085563	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"542338"	242.137813	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"929655"	92.033313	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"273326"	335.178402	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"665017"	485.282902	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1281429"	185.073902	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"19608"	337.157606	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"462451"	487.262106	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"840251"	187.053106	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1557906"	187.053106	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"943601"	195.102694	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"365468"	345.207201	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"353728"	359.222851	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1498553"	209.118351	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"972297"	217.084651	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"119015"	185.073902	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"554928"	260.126152	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1028468"	110.021652	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1251325"	229.023385	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1311587"	231.079372	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1325073"	253.061329	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"920142"	263.090086	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1292475"	299.066764	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1376109"	115.091824	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1395798"	133.1018	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"298361"	301.216276	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"689000"	451.320776	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1366979"	151.111776	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"140189"	151.111776	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"581250"	226.164026	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1052765"	76.059526	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"219611"	101.076942666667	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"659934"	151.111776	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1177906"	51.0421093333333	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"439478"	318.242823	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"801210"	468.347323	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1696568"	168.138323	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"345330"	159.6250495	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"738446"	234.6772995	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1492499"	84.5727995	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"407691"	323.198218	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"769784"	473.302718	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1618350"	173.093718	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"328766"	162.102747	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"720822"	237.154997	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1474650"	87.050497	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1062427"	58.3694233333333	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1266293"	183.137986	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"389242"	339.172158	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"746956"	489.276658	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1549009"	189.067658	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"306183"	170.089717	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"695324"	245.141967	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1450241"	95.037467	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"242124"	342.242826	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1213737"	192.138326	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1204190"	96.572801	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"199248"	345.18016	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"636621"	495.28466	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1143774"	195.07566	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"182323"	173.093718	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"625893"	248.145968	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1127577"	98.041468	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1407820"	65.6967373333333	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1442122"	197.117246	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"230724"	178.12674	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1515506"	211.16929	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"422119"	181.080688	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"781293"	256.132938	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1672521"	106.028438	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"262323"	364.224768	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1237219"	214.120268	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1726106"	214.143793	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1189273"	73.0240513333333	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1662447"	219.099188	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"168217"	377.12804	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"607778"	527.23254	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1095571"	227.02354	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"154213"	189.067658	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"594136"	264.119908	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1074274"	114.015408	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1111857"	229.038092	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1344961"	229.125707	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1013493"	233.164876	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1532711"	234.158508	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1001346"	117.086076	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1592569"	235.073128	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1422602"	265.104638	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1159451"	137.599351	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1711187"	282.131185	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1644653"	287.08658	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1585772"	303.06052	"C09911"	"Umbellulone;(-)-Umbellulone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"806296"	207.1372	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M"	0
"974965"	188.11881	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-H2O-H"	-19.01839
"63938"	137.084190666667	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M-3H"	-3.021828
"503533"	206.129924	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M-3H"	-3.021828
"881300"	68.0384573333333	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-3H"	-3.021828
"1448"	206.129924	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M-2H"	-2.014552
"442461"	309.698524	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M-2H"	-2.014552
"819183"	102.561324	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-2H"	-2.014552
"80988"	413.267124	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M-H"	-1.007276
"530769"	620.404324	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M-H"	-1.007276
"904197"	206.129924	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-H"	-1.007276
"49823"	430.293671	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M-2H+NH4"	16.019271
"493759"	637.430871	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M-2H+NH4"	16.019271
"866572"	223.156471	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-2H+NH4"	16.019271
"33013"	435.249066	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M-2H+Na"	20.974666
"473910"	642.386266	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M-2H+Na"	20.974666
"849411"	228.111866	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-2H+Na"	20.974666
"1621984"	228.111866	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Na-2H"	20.974666
"96326"	224.118263	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M-H+Cl"	33.962126
"542448"	327.686863	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M-H+Cl"	33.962126
"928308"	120.549663	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-H+Cl"	33.962126
"273435"	449.243802	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+Cl"	34.969402
"663305"	656.381002	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+Cl"	34.969402
"1279352"	242.106602	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Cl"	34.969402
"19718"	451.223006	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M-2H+K"	36.948606
"462561"	658.360206	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M-2H+K"	36.948606
"837082"	244.085806	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-2H+K"	36.948606
"1558381"	244.085806	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+K-2H"	36.948606
"943508"	252.135394	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-H+HCOOH"	44.998194
"365578"	459.272601	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+HCOOH-H"	44.998201
"352015"	473.288251	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+Hac-H"	59.013851
"1497570"	266.151051	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Hac-H"	59.013851
"970949"	274.117351	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-H+NaCOOH"	66.980151
"113659"	242.106602	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+2Cl"	69.938804
"553943"	345.675202	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+2Cl"	69.938804
"1028578"	138.538002	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2Cl"	69.938804
"1248520"	286.056085	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Br"	78.918885
"1310968"	288.112072	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Cl+HCOOH"	80.974872
"1324454"	310.094029	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Cl+NaCOOH"	102.956829
"919160"	320.122786	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M-H+CF3COOH"	112.985586
"1294773"	356.099464	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Cl+CF3COOH"	148.962264
"1375126"	172.124524	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H-2H2O"	-35.012676
"1394815"	190.1345	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H-H2O"	-17.0027
"294502"	415.281676	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+H"	1.007276
"689110"	622.418876	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+H"	1.007276
"1366075"	208.144476	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H"	1.007276
"140787"	208.144476	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+2H"	2.014552
"581260"	311.713076	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+2H"	2.014552
"1052675"	104.575876	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2H"	2.014552
"218262"	139.098742666667	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+3H"	3.021828
"659285"	208.144476	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+3H"	3.021828
"1177042"	70.0530093333333	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+3H"	3.021828
"439345"	432.308223	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+NH4"	18.033823
"797662"	639.445423	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+NH4"	18.033823
"1696553"	225.171023	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+NH4"	18.033823
"345574"	216.6577495	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+H+NH4"	19.041099
"738413"	320.2263495	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+H+NH4"	19.041099
"1489609"	113.0891495	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H+NH4"	19.041099
"406829"	437.263618	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+Na"	22.989218
"769164"	644.400818	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+Na"	22.989218
"1617994"	230.126418	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Na"	22.989218
"328511"	219.135447	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+H+Na"	23.996494
"720932"	322.704047	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+H+Na"	23.996494
"1471480"	115.566847	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H+Na"	23.996494
"1061445"	77.3803233333333	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2H+Na"	25.00377
"1264216"	240.170686	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+CH3OH+H"	33.033486
"384978"	453.237558	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+K"	38.963158
"748159"	660.374758	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+K"	38.963158
"1549116"	246.100358	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+K"	38.963158
"303014"	227.122417	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+H+K"	39.970434
"693249"	330.691017	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+H+K"	39.970434
"1447072"	123.553817	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H+K"	39.970434
"238955"	456.308226	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+ACN+H"	42.033826
"1211417"	249.171026	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+ACN+H"	42.033826
"1206123"	125.089151	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+ACN+2H"	43.041102
"196078"	459.24556	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+2Na-H"	44.97116
"633451"	666.38276	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+2Na-H"	44.97116
"1143520"	252.10836	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2Na-H"	44.97116
"182433"	230.126418	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+2Na"	45.978436
"621994"	333.695018	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+2Na"	45.978436
"1127687"	126.557818	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2Na"	45.978436
"1407930"	84.7076373333333	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H+2Na"	46.985712
"1442232"	254.149946	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H+HCOOH"	47.012746
"229741"	235.15944	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+3H2O+2H"	56.04448
"1518896"	268.20199	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+IsoProp+H"	61.06479
"422957"	238.113388	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+Na+K"	61.952376
"779580"	341.681988	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+Na+K"	61.952376
"1678827"	134.544788	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Na+K"	61.952376
"263525"	478.290168	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+ACN+Na"	64.015768
"1237329"	271.152968	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+ACN+Na"	64.015768
"1724028"	271.176493	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+NH4+HCOOH"	64.039293
"1191570"	92.0349513333333	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+3Na"	68.967654
"1663650"	276.131888	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Na+HCOOH"	68.994688
"168327"	491.19344	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+2K-H"	76.91904
"606794"	698.33064	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+2K-H"	76.91904
"1095681"	284.05624	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2K-H"	76.91904
"153229"	246.100358	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"2M+2K"	77.926316
"593153"	349.668958	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"3M+2K"	77.926316
"1075477"	142.531758	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2K"	77.926316
"1109780"	286.070792	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2K+H"	78.933592
"1346164"	286.158407	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+DMSO+H"	79.021207
"1015788"	290.197576	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2ACN+H"	83.060376
"1528444"	291.191208	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+IsoProp+Na+H"	84.054008
"995986"	145.602426	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+2ACN+2H"	84.067652
"1598145"	292.105828	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+K+HCOOH"	84.968628
"1425989"	322.137338	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+H+CF3COOH"	115.000138
"1154090"	166.115701	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+3ACN+2H"	125.094202
"1712026"	339.163885	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+NH4+CF3COOH"	132.026685
"1644763"	344.11928	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+Na+CF3COOH"	136.98208
"1585882"	360.09322	"C09912"	"Arenaine"	"C11H17N3O"	"207.1372"	"M+K+CF3COOH"	152.95602
"807499"	150.1045	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M"	0
"977750"	131.08611	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"65992"	99.0623906666667	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"506647"	149.097224	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"882262"	49.0275573333333	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"589"	149.097224	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"445865"	224.149474	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"822573"	74.044974	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"81470"	299.201724	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"533311"	449.306224	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"904307"	149.097224	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"49934"	316.228271	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"493869"	466.332771	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"868390"	166.123771	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"45039"	321.183666	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"476943"	471.288166	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"854747"	171.079166	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1622094"	171.079166	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"108466"	167.085563	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"543652"	242.137813	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"936075"	92.033313	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"273545"	335.178402	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"663414"	485.282902	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1280555"	185.073902	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"23110"	337.157606	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"465225"	487.262106	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"839745"	187.053106	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1561046"	187.053106	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"949658"	195.102694	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"364229"	345.207201	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"349569"	359.222851	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1498408"	209.118351	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"965955"	217.084651	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"120327"	185.073902	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"553324"	260.126152	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1028323"	110.021652	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1251547"	229.023385	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1317646"	231.079372	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1334533"	253.061329	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"923644"	263.090086	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1298165"	299.066764	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1376330"	115.091824	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1390551"	133.1018	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"292425"	301.216276	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"691212"	451.320776	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1366305"	151.111776	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"138465"	151.111776	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"580902"	226.164026	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1052419"	76.059526	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"219550"	101.076942666667	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"658666"	151.111776	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1177763"	51.0421093333333	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"439455"	318.242823	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"800696"	468.347323	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1696870"	168.138323	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"345390"	159.6250495	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"738217"	234.6772995	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1492271"	84.5727995	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"408161"	323.198218	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"769275"	473.302718	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1617008"	173.093718	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"329110"	162.102747	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"721043"	237.154997	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1471590"	87.050497	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1065565"	58.3694233333333	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1264326"	183.137986	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"385088"	339.172158	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"747175"	489.276658	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1550321"	189.067658	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"308592"	170.089717	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"692387"	245.141967	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1446574"	95.037467	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"239065"	342.242826	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1211772"	192.138326	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1202224"	96.572801	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"196188"	345.18016	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"633925"	495.28466	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1143632"	195.07566	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"184731"	173.093718	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"627333"	248.145968	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1127800"	98.041468	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1410230"	65.6967373333333	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1437969"	197.117246	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"232038"	178.12674	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1523749"	211.16929	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"423068"	181.080688	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"782971"	256.132938	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1680398"	106.028438	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"265822"	364.224768	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1238900"	214.120268	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1727299"	214.143793	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1191684"	73.0240513333333	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1661579"	219.099188	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"166984"	377.12804	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"608001"	527.23254	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1093244"	227.02354	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"150059"	189.067658	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"588891"	264.119908	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1071217"	114.015408	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1102239"	229.038092	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1341904"	229.125707	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1009339"	233.164876	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1529647"	234.158508	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"993909"	117.086076	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1594974"	235.073128	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1416260"	265.104638	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1158576"	137.599351	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1709220"	282.131185	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1644873"	287.08658	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1585992"	303.06052	"C09913"	"Verbenone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"806516"	357.1424	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M"	0
"975673"	338.12401	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-H2O-H"	-19.01839
"63550"	237.087657333333	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M-3H"	-3.021828
"504571"	356.135124	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M-3H"	-3.021828
"879952"	118.040190666667	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-3H"	-3.021828
"138"	356.135124	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M-2H"	-2.014552
"444882"	534.706324	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M-2H"	-2.014552
"820497"	177.563924	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-2H"	-2.014552
"80851"	713.277524	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M-H"	-1.007276
"531719"	1070.419924	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M-H"	-1.007276
"904417"	356.135124	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-H"	-1.007276
"50044"	730.304071	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M-2H+NH4"	16.019271
"490699"	1087.446471	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M-2H+NH4"	16.019271
"868500"	373.161671	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-2H+NH4"	16.019271
"44785"	735.259466	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M-2H+Na"	20.974666
"477053"	1092.401866	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M-2H+Na"	20.974666
"851577"	378.117066	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-2H+Na"	20.974666
"1622204"	378.117066	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Na-2H"	20.974666
"102014"	374.123463	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M-H+Cl"	33.962126
"539389"	552.694663	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M-H+Cl"	33.962126
"932904"	195.552263	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-H+Cl"	33.962126
"271468"	749.254202	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+Cl"	34.969402
"662067"	1106.396602	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+Cl"	34.969402
"1279572"	392.111802	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Cl"	34.969402
"22127"	751.233406	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M-2H+K"	36.948606
"464970"	1108.375806	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M-2H+K"	36.948606
"840583"	394.091006	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-2H+K"	36.948606
"1565164"	394.091006	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+K-2H"	36.948606
"950861"	402.140594	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-H+HCOOH"	44.998194
"369076"	759.283001	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+HCOOH-H"	44.998201
"351501"	773.298651	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+Hac-H"	59.013851
"1499612"	416.156251	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Hac-H"	59.013851
"968251"	424.122551	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-H+NaCOOH"	66.980151
"119344"	392.111802	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+2Cl"	69.938804
"554527"	570.683002	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+2Cl"	69.938804
"1028068"	213.540602	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2Cl"	69.938804
"1252750"	436.061285	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Br"	78.918885
"1317389"	438.117272	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Cl+HCOOH"	80.974872
"1331604"	460.099229	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Cl+NaCOOH"	102.956829
"922661"	470.127986	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M-H+CF3COOH"	112.985586
"1297181"	506.104664	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Cl+CF3COOH"	148.962264
"1376440"	322.129724	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H-2H2O"	-35.012676
"1395034"	340.1397	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H-H2O"	-17.0027
"297880"	715.292076	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+H"	1.007276
"690433"	1072.434476	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+H"	1.007276
"1366407"	358.149676	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H"	1.007276
"139310"	358.149676	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+2H"	2.014552
"580327"	536.720876	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+2H"	2.014552
"1051317"	179.578476	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2H"	2.014552
"218851"	239.102209333333	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+3H"	3.021828
"659307"	358.149676	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+3H"	3.021828
"1176172"	120.054742666667	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+3H"	3.021828
"437986"	732.318623	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+NH4"	18.033823
"800071"	1089.461023	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+NH4"	18.033823
"1696734"	375.176223	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+NH4"	18.033823
"345377"	366.6629495	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+H+NH4"	19.041099
"738365"	545.2341495	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+H+NH4"	19.041099
"1492019"	188.0917495	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H+NH4"	19.041099
"408268"	737.274018	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+Na"	22.989218
"769859"	1094.416418	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+Na"	22.989218
"1618172"	380.131618	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Na"	22.989218
"329582"	369.140647	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+H+Na"	23.996494
"721152"	547.711847	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+H+Na"	23.996494
"1474979"	190.569447	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H+Na"	23.996494
"1066767"	127.382056666667	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2H+Na"	25.00377
"1267715"	390.175886	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+CH3OH+H"	33.033486
"387384"	753.247958	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+K"	38.963158
"747284"	1110.390358	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+K"	38.963158
"1550431"	396.105558	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+K"	38.963158
"306514"	377.127617	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+H+K"	39.970434
"692617"	555.698817	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+H+K"	39.970434
"1449476"	198.556417	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H+K"	39.970434
"241358"	756.318626	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+ACN+H"	42.033826
"1216254"	399.176226	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+ACN+H"	42.033826
"1200136"	200.091751	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+ACN+2H"	43.041102
"192644"	759.25596	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+2Na-H"	44.97116
"634396"	1116.39836	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+2Na-H"	44.97116
"1138269"	402.11356	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2Na-H"	44.97116
"178643"	380.131618	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+2Na"	45.978436
"623308"	558.702818	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+2Na"	45.978436
"1129001"	201.560418	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2Na"	45.978436
"1409243"	134.709370666667	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H+2Na"	46.985712
"1433704"	404.155146	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H+HCOOH"	47.012746
"232148"	385.16464	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+3H2O+2H"	56.04448
"1520210"	418.20719	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+IsoProp+H"	61.06479
"423178"	388.118588	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+Na+K"	61.952376
"783081"	566.689788	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+Na+K"	61.952376
"1680507"	209.547388	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Na+K"	61.952376
"265812"	778.300568	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+ACN+Na"	64.015768
"1239372"	421.158168	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+ACN+Na"	64.015768
"1727529"	421.181693	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+NH4+HCOOH"	64.039293
"1191428"	142.036684666667	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+3Na"	68.967654
"1662778"	426.137088	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Na+HCOOH"	68.994688
"170009"	791.20384	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+2K-H"	76.91904
"607745"	1148.34624	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+2K-H"	76.91904
"1094446"	434.06144	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2K-H"	76.91904
"150534"	396.105558	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"2M+2K"	77.926316
"590094"	574.676758	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"3M+2K"	77.926316
"1074609"	217.534358	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2K"	77.926316
"1108909"	436.075992	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2K+H"	78.933592
"1342014"	436.163607	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+DMSO+H"	79.021207
"1009449"	440.202776	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2ACN+H"	83.060376
"1528664"	441.196408	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+IsoProp+Na+H"	84.054008
"992926"	220.605026	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+2ACN+2H"	84.067652
"1593991"	442.111028	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+K+HCOOH"	84.968628
"1416370"	472.142538	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+H+CF3COOH"	115.000138
"1160872"	241.118301	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+3ACN+2H"	125.094202
"1709330"	489.169085	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+NH4+CF3COOH"	132.026685
"1644983"	494.12448	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+Na+CF3COOH"	136.98208
"1586102"	510.09842	"C09914"	"Bakankoside"	"C16H23NO8"	"357.1424"	"M+K+CF3COOH"	152.95602
"803346"	161.0841	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M"	0
"975054"	142.06571	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-H2O-H"	-19.01839
"63417"	106.382124	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M-3H"	-3.021828
"503058"	160.076824	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M-3H"	-3.021828
"880294"	52.687424	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-3H"	-3.021828
"195"	160.076824	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M-2H"	-2.014552
"443899"	240.618874	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M-2H"	-2.014552
"817444"	79.534774	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-2H"	-2.014552
"78768"	321.160924	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M-H"	-1.007276
"521617"	482.245024	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M-H"	-1.007276
"907805"	160.076824	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-H"	-1.007276
"47601"	338.187471	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M-2H+NH4"	16.019271
"487527"	499.271571	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M-2H+NH4"	16.019271
"865083"	177.103371	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-2H+NH4"	16.019271
"39791"	343.142866	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M-2H+Na"	20.974666
"477163"	504.226966	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M-2H+Na"	20.974666
"851687"	182.058766	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-2H+Na"	20.974666
"1618825"	182.058766	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Na-2H"	20.974666
"102124"	178.065163	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M-H+Cl"	33.962126
"544965"	258.607213	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M-H+Cl"	33.962126
"931921"	97.523113	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-H+Cl"	33.962126
"273765"	357.137602	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+Cl"	34.969402
"662177"	518.221702	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+Cl"	34.969402
"1279682"	196.053502	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Cl"	34.969402
"20051"	359.116806	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M-2H+K"	36.948606
"466174"	520.200906	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M-2H+K"	36.948606
"840694"	198.032706	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-2H+K"	36.948606
"1563088"	198.032706	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+K-2H"	36.948606
"950971"	206.082294	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-H+HCOOH"	44.998194
"368093"	367.166401	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+HCOOH-H"	44.998201
"350883"	381.182051	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+Hac-H"	59.013851
"1494247"	220.097951	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Hac-H"	59.013851
"966903"	228.064251	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-H+NaCOOH"	66.980151
"119817"	196.053502	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+2Cl"	69.938804
"552817"	276.595552	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+2Cl"	69.938804
"1026721"	115.511452	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2Cl"	69.938804
"1250674"	240.002985	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Br"	78.918885
"1316041"	242.058972	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Cl+HCOOH"	80.974872
"1328435"	264.040929	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Cl+NaCOOH"	102.956829
"922771"	274.069686	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M-H+CF3COOH"	112.985586
"1298386"	310.046364	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Cl+CF3COOH"	148.962264
"1376550"	126.071424	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H-2H2O"	-35.012676
"1394051"	144.0814	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H-H2O"	-17.0027
"294832"	323.175476	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+H"	1.007276
"691146"	484.259576	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+H"	1.007276
"1365424"	162.091376	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H"	1.007276
"141349"	162.091376	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+2H"	2.014552
"581044"	242.633426	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+2H"	2.014552
"1052517"	81.549326	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2H"	2.014552
"219979"	108.396676	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+3H"	3.021828
"659907"	162.091376	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+3H"	3.021828
"1177497"	54.701976	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+3H"	3.021828
"439781"	340.202023	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+NH4"	18.033823
"798359"	501.286123	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+NH4"	18.033823
"1696889"	179.117923	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+NH4"	18.033823
"345607"	170.6046495	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+H+NH4"	19.041099
"738231"	251.1466995	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+H+NH4"	19.041099
"1491400"	90.0625995	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H+NH4"	19.041099
"408531"	345.157418	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+Na"	22.989218
"769876"	506.241518	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+Na"	22.989218
"1618360"	184.073318	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Na"	22.989218
"329970"	173.082347	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+H+Na"	23.996494
"721140"	253.624397	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+H+Na"	23.996494
"1475455"	92.540297	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H+Na"	23.996494
"1065054"	62.02929	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2H+Na"	25.00377
"1268554"	194.117586	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+CH3OH+H"	33.033486
"387494"	361.131358	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+K"	38.963158
"744114"	522.215458	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+K"	38.963158
"1547261"	200.047258	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+K"	38.963158
"304438"	181.069317	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+H+K"	39.970434
"692849"	261.611367	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+H+K"	39.970434
"1448493"	100.527267	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H+K"	39.970434
"239281"	364.202026	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+ACN+H"	42.033826
"1215270"	203.117926	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+ACN+H"	42.033826
"1199153"	102.062601	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+ACN+2H"	43.041102
"190202"	367.13936	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+2Na-H"	44.97116
"630856"	528.22346	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+2Na-H"	44.97116
"1137649"	206.05526	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2Na-H"	44.97116
"178750"	184.073318	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+2Na"	45.978436
"621228"	264.615368	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+2Na"	45.978436
"1126924"	103.531268	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2Na"	45.978436
"1406073"	69.356604	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H+2Na"	46.985712
"1435271"	208.096846	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H+HCOOH"	47.012746
"231165"	189.10634	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+3H2O+2H"	56.04448
"1520320"	222.14889	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+IsoProp+H"	61.06479
"420008"	192.060288	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+Na+K"	61.952376
"783191"	272.602338	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+Na+K"	61.952376
"1677336"	111.518238	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Na+K"	61.952376
"263855"	386.183968	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+ACN+Na"	64.015768
"1238753"	225.099868	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+ACN+Na"	64.015768
"1726181"	225.123393	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+NH4+HCOOH"	64.039293
"1191537"	76.683918	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+3Na"	68.967654
"1661794"	230.078788	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Na+HCOOH"	68.994688
"169753"	399.08724	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+2K-H"	76.91904
"608219"	560.17134	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+2K-H"	76.91904
"1094920"	238.00314	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2K-H"	76.91904
"150644"	200.047258	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"2M+2K"	77.926316
"590204"	280.589308	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"3M+2K"	77.926316
"1075812"	119.505208	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2K"	77.926316
"1105740"	240.017692	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2K+H"	78.933592
"1344310"	240.105307	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+DMSO+H"	79.021207
"1009559"	244.144476	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2ACN+H"	83.060376
"1529867"	245.138108	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+IsoProp+Na+H"	84.054008
"993036"	122.575876	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+2ACN+2H"	84.067652
"1595194"	246.052728	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+K+HCOOH"	84.968628
"1419760"	276.084238	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+H+CF3COOH"	115.000138
"1159889"	143.089151	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+3ACN+2H"	125.094202
"1710533"	293.110785	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+NH4+CF3COOH"	132.026685
"1645093"	298.06618	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+Na+CF3COOH"	136.98208
"1586212"	314.04012	"C09915"	"Boschniakine;(R)-67-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde"	"C10H11NO"	"161.0841"	"M+K+CF3COOH"	152.95602
"804549"	554.288	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M"	0
"975163"	535.26961	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-H2O-H"	-19.01839
"64501"	368.518057333333	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M-3H"	-3.021828
"503285"	553.280724	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M-3H"	-3.021828
"880168"	183.755390666667	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-3H"	-3.021828
"549"	553.280724	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M-2H"	-2.014552
"444009"	830.424724	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M-2H"	-2.014552
"817554"	276.136724	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-2H"	-2.014552
"79004"	1107.568724	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M-H"	-1.007276
"522456"	1661.856724	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M-H"	-1.007276
"907190"	553.280724	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-H"	-1.007276
"48197"	1124.595271	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M-2H+NH4"	16.019271
"489820"	1678.883271	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M-2H+NH4"	16.019271
"867625"	570.307271	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-2H+NH4"	16.019271
"32367"	1129.550666	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M-2H+Na"	20.974666
"473993"	1683.838666	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M-2H+Na"	20.974666
"851797"	575.262666	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-2H+Na"	20.974666
"1619505"	575.262666	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Na-2H"	20.974666
"102234"	571.269063	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M-H+Cl"	33.962126
"546168"	848.413063	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M-H+Cl"	33.962126
"933125"	294.125063	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-H+Cl"	33.962126
"268766"	1143.545402	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+Cl"	34.969402
"663009"	1697.833402	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+Cl"	34.969402
"1275052"	589.257402	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Cl"	34.969402
"16512"	1145.524606	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M-2H+K"	36.948606
"456804"	1699.812606	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M-2H+K"	36.948606
"839709"	591.236606	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-2H+K"	36.948606
"1563198"	591.236606	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+K-2H"	36.948606
"946705"	599.286194	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-H+HCOOH"	44.998194
"368202"	1153.574201	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+HCOOH-H"	44.998201
"346981"	1167.589851	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+Hac-H"	59.013851
"1497639"	613.301851	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Hac-H"	59.013851
"967376"	621.268151	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-H+NaCOOH"	66.980151
"118468"	589.257402	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+2Cl"	69.938804
"555843"	866.401402	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+2Cl"	69.938804
"1026831"	312.113402	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2Cl"	69.938804
"1250784"	633.206885	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Br"	78.918885
"1314328"	635.262872	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Cl+HCOOH"	80.974872
"1331824"	657.244829	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Cl+NaCOOH"	102.956829
"923974"	667.273586	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M-H+CF3COOH"	112.985586
"1300683"	703.250264	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Cl+CF3COOH"	148.962264
"1378847"	519.275324	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H-2H2O"	-35.012676
"1393068"	537.2853	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H-H2O"	-17.0027
"294942"	1109.583276	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+H"	1.007276
"686270"	1663.871276	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+H"	1.007276
"1362618"	555.295276	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H"	1.007276
"138438"	555.295276	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+2H"	2.014552
"579822"	832.439276	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+2H"	2.014552
"1052510"	278.151276	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2H"	2.014552
"219900"	370.532609333333	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+3H"	3.021828
"659938"	555.295276	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+3H"	3.021828
"1178440"	185.769942666667	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+3H"	3.021828
"438571"	1126.609823	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+NH4"	18.033823
"799568"	1680.897823	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+NH4"	18.033823
"1696144"	572.321823	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+NH4"	18.033823
"345598"	563.8085495	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+H+NH4"	19.041099
"738262"	840.9525495	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+H+NH4"	19.041099
"1491998"	286.6645495	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H+NH4"	19.041099
"408243"	1131.565218	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+Na"	22.989218
"768998"	1685.853218	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+Na"	22.989218
"1617945"	577.277218	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Na"	22.989218
"329523"	566.286247	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+H+Na"	23.996494
"720157"	843.430247	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+H+Na"	23.996494
"1474835"	289.142247	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H+Na"	23.996494
"1066622"	193.097256666667	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2H+Na"	25.00377
"1269030"	587.321486	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+CH3OH+H"	33.033486
"387605"	1147.539158	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+K"	38.963158
"739850"	1701.827158	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+K"	38.963158
"1546278"	593.251158	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+K"	38.963158
"303454"	574.273217	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+H+K"	39.970434
"694783"	851.417217	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+H+K"	39.970434
"1446781"	297.129217	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H+K"	39.970434
"237206"	1150.609826	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+ACN+H"	42.033826
"1218661"	596.321826	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+ACN+H"	42.033826
"1198170"	298.664551	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+ACN+2H"	43.041102
"189825"	1153.54716	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+2Na-H"	44.97116
"629991"	1707.83516	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+2Na-H"	44.97116
"1137759"	599.25916	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2Na-H"	44.97116
"179225"	577.277218	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+2Na"	45.978436
"621338"	854.421218	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+2Na"	45.978436
"1118645"	300.133218	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2Na"	45.978436
"1405088"	200.424570666667	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H+2Na"	46.985712
"1436109"	601.300746	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H+HCOOH"	47.012746
"230181"	582.31024	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+3H2O+2H"	56.04448
"1522253"	615.35279	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+IsoProp+H"	61.06479
"422306"	585.264188	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+Na+K"	61.952376
"783301"	862.408188	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+Na+K"	61.952376
"1676353"	308.120188	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Na+K"	61.952376
"265059"	1172.591768	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+ACN+Na"	64.015768
"1238863"	618.303768	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+ACN+Na"	64.015768
"1723373"	618.327293	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+NH4+HCOOH"	64.039293
"1190917"	207.751884666667	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+3Na"	68.967654
"1659717"	623.282688	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Na+HCOOH"	68.994688
"168042"	1185.49504	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+2K-H"	76.91904
"605779"	1739.78304	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+2K-H"	76.91904
"1092845"	631.20704	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2K-H"	76.91904
"151847"	593.251158	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"2M+2K"	77.926316
"592135"	870.395158	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"3M+2K"	77.926316
"1077014"	316.107158	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2K"	77.926316
"1108036"	633.221592	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2K+H"	78.933592
"1343327"	633.309207	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+DMSO+H"	79.021207
"1009669"	637.348376	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2ACN+H"	83.060376
"1535444"	638.342008	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+IsoProp+Na+H"	84.054008
"1001892"	319.177826	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+2ACN+2H"	84.067652
"1599676"	639.256628	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+K+HCOOH"	84.968628
"1423150"	669.288138	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+H+CF3COOH"	115.000138
"1161821"	339.691101	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+3ACN+2H"	125.094202
"1710643"	686.314685	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+NH4+CF3COOH"	132.026685
"1645203"	691.27008	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+Na+CF3COOH"	136.98208
"1586322"	707.24402	"C09916"	"Acrovestone"	"C32H42O8"	"554.288"	"M+K+CF3COOH"	152.95602
"805752"	244.1463	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M"	0
"975638"	225.12791	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-H2O-H"	-19.01839
"63881"	161.756924	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M-3H"	-3.021828
"505262"	243.139024	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M-3H"	-3.021828
"880878"	80.374824	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-3H"	-3.021828
"1274"	243.139024	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M-2H"	-2.014552
"441932"	365.212174	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M-2H"	-2.014552
"819726"	121.065874	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-2H"	-2.014552
"80086"	487.285324	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M-H"	-1.007276
"523659"	731.431624	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M-H"	-1.007276
"902557"	243.139024	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-H"	-1.007276
"50372"	504.311871	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M-2H+NH4"	16.019271
"493212"	748.458171	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M-2H+NH4"	16.019271
"867735"	260.165571	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-2H+NH4"	16.019271
"33813"	509.267266	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M-2H+Na"	20.974666
"477383"	753.413566	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M-2H+Na"	20.974666
"851907"	265.120966	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-2H+Na"	20.974666
"1620345"	265.120966	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Na-2H"	20.974666
"96876"	261.127363	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M-H+Cl"	33.962126
"546279"	383.200513	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M-H+Cl"	33.962126
"931045"	139.054213	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-H+Cl"	33.962126
"271791"	523.262002	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+Cl"	34.969402
"664212"	767.408302	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+Cl"	34.969402
"1275527"	279.115702	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Cl"	34.969402
"16256"	525.241206	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M-2H+K"	36.948606
"456913"	769.387506	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M-2H+K"	36.948606
"839819"	281.094906	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-2H+K"	36.948606
"1562215"	281.094906	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+K-2H"	36.948606
"949002"	289.144494	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-H+HCOOH"	44.998194
"367219"	533.290801	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+HCOOH-H"	44.998201
"348548"	547.306451	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+Hac-H"	59.013851
"1499207"	303.160151	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Hac-H"	59.013851
"965300"	311.126451	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-H+NaCOOH"	66.980151
"120401"	279.115702	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+2Cl"	69.938804
"559234"	401.188852	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+2Cl"	69.938804
"1030222"	157.042552	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2Cl"	69.938804
"1249800"	323.065185	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Br"	78.918885
"1313344"	325.121172	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Cl+HCOOH"	80.974872
"1328653"	347.103129	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Cl+NaCOOH"	102.956829
"924084"	357.131886	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M-H+CF3COOH"	112.985586
"1300794"	393.108564	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Cl+CF3COOH"	148.962264
"1377864"	209.133624	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H-2H2O"	-35.012676
"1390991"	227.1436	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H-H2O"	-17.0027
"292865"	489.299876	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+H"	1.007276
"686380"	733.446176	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+H"	1.007276
"1362728"	245.153576	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H"	1.007276
"140851"	245.153576	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+2H"	2.014552
"579930"	367.226726	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+2H"	2.014552
"1051283"	123.080426	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2H"	2.014552
"218941"	163.771476	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+3H"	3.021828
"659679"	245.153576	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+3H"	3.021828
"1178209"	82.389376	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+3H"	3.021828
"439293"	506.326423	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+NH4"	18.033823
"800898"	750.472723	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+NH4"	18.033823
"1696011"	262.180123	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+NH4"	18.033823
"345021"	253.6668495	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+H+NH4"	19.041099
"737438"	375.7399995	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+H+NH4"	19.041099
"1491622"	131.5936995	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H+NH4"	19.041099
"407748"	511.281818	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+Na"	22.989218
"767650"	755.428118	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+Na"	22.989218
"1616719"	267.135518	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Na"	22.989218
"328825"	256.144547	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+H+Na"	23.996494
"720388"	378.217697	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+H+Na"	23.996494
"1473488"	134.071397	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H+Na"	23.996494
"1066368"	89.71669	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2H+Na"	25.00377
"1269140"	277.179786	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+CH3OH+H"	33.033486
"386622"	527.255758	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+K"	38.963158
"741417"	771.402058	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+K"	38.963158
"1546388"	283.109458	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+K"	38.963158
"303565"	264.131517	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+H+K"	39.970434
"693071"	386.204667	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+H+K"	39.970434
"1446892"	142.058367	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H+K"	39.970434
"237680"	530.326426	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+ACN+H"	42.033826
"1213304"	286.180126	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+ACN+H"	42.033826
"1197187"	143.593701	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+ACN+2H"	43.041102
"190177"	533.26376	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+2Na-H"	44.97116
"630711"	777.41006	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+2Na-H"	44.97116
"1137140"	289.11746	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2Na-H"	44.97116
"180794"	267.135518	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+2Na"	45.978436
"621448"	389.208668	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+2Na"	45.978436
"1122035"	145.062368	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2Na"	45.978436
"1405198"	97.044004	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H+2Na"	46.985712
"1435126"	291.159046	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H+HCOOH"	47.012746
"229198"	272.16854	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+3H2O+2H"	56.04448
"1519447"	305.21109	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+IsoProp+H"	61.06479
"418042"	275.122488	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+Na+K"	61.952376
"777945"	397.195638	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+Na+K"	61.952376
"1674276"	153.049338	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Na+K"	61.952376
"261889"	552.308368	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+ACN+Na"	64.015768
"1236057"	308.162068	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+ACN+Na"	64.015768
"1725307"	308.185593	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+NH4+HCOOH"	64.039293
"1189203"	104.371318	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+3Na"	68.967654
"1662014"	313.140988	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Na+HCOOH"	68.994688
"165597"	565.21164	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+2K-H"	76.91904
"602242"	809.35794	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+2K-H"	76.91904
"1092587"	321.06534	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2K-H"	76.91904
"149768"	283.109458	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"2M+2K"	77.926316
"588234"	405.182608	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"3M+2K"	77.926316
"1076030"	161.036308	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2K"	77.926316
"1107050"	323.079892	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2K+H"	78.933592
"1340156"	323.167507	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+DMSO+H"	79.021207
"1009779"	327.206676	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2ACN+H"	83.060376
"1531180"	328.200308	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+IsoProp+Na+H"	84.054008
"997628"	164.106976	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+2ACN+2H"	84.067652
"1598692"	329.114928	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+K+HCOOH"	84.968628
"1422167"	359.146438	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+H+CF3COOH"	115.000138
"1162295"	184.620251	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+3ACN+2H"	125.094202
"1710753"	376.172985	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+NH4+CF3COOH"	132.026685
"1647500"	381.12838	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+Na+CF3COOH"	136.98208
"1586432"	397.10232	"C09917"	"Arnebinol"	"C16H20O2"	"244.1463"	"M+K+CF3COOH"	152.95602
"806956"	230.0943	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M"	0
"977208"	211.07591	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"63628"	152.388924	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"505008"	229.087024	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"881716"	75.690824	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"533"	229.087024	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"442041"	344.134174	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"819473"	114.039874	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"79466"	459.181324	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"523770"	689.275624	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"908134"	229.087024	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"57042"	476.207871	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"494417"	706.302171	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"872215"	246.113571	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"41212"	481.163266	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"478590"	711.257566	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"857485"	251.068966	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1621548"	251.068966	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"102454"	247.075363	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"547484"	362.122513	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"933342"	132.028213	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"277368"	495.158002	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"661405"	725.252302	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1275637"	265.063702	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"16609"	497.137206	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"459213"	727.231506	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"838838"	267.042906	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1563418"	267.042906	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"948021"	275.092494	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"370610"	505.186801	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"348657"	519.202451	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1500046"	289.108151	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"967597"	297.074451	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"117595"	265.063702	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"560070"	380.110852	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1031057"	150.016552	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1252097"	309.013185	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1315641"	311.069172	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1335284"	333.051129	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"926019"	343.079886	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1303089"	379.056564	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1380891"	195.081624	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1394381"	213.0916	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"298272"	461.195876	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"691110"	691.290176	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1363931"	231.101576	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"139008"	231.101576	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"580046"	346.148726	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1051033"	116.054426	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"219420"	154.403476	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"658741"	231.101576	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1178193"	77.705376	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"439527"	478.222423	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"800158"	708.316723	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1696367"	248.128123	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"344887"	239.6148495	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"737672"	354.6619995	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1491734"	124.5676995	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"407126"	483.177818	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"769665"	713.272118	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1616827"	253.083518	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"329419"	242.092547	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"717220"	357.139697	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1475061"	127.045397	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1067332"	85.03269	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1270345"	263.127786	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"390381"	499.151758	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"751007"	729.246058	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1550873"	269.057458	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"310237"	250.079517	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"704846"	365.126667	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1449919"	135.032367	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"243987"	502.222426	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1220704"	272.128126	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1201670"	136.567701	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"189681"	505.15976	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"633008"	735.25406	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1138709"	275.06546	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"179811"	253.083518	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"618279"	368.130668	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1121053"	138.036368	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1400930"	92.360004	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1438520"	277.107046	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"228215"	258.11654	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1514089"	291.15909	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"421432"	261.070488	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"780241"	376.117638	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1679730"	146.023338	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"264187"	524.204368	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1238355"	294.110068	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1725418"	294.133593	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1190044"	99.687318	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1662122"	299.088988	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"165706"	537.10764	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"603081"	767.20194	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1090874"	307.01334	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"150606"	269.057458	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"590532"	384.104608	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1076141"	154.010308	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1108253"	309.027892	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1341359"	309.115507	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1009889"	313.154676	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1526918"	314.148308	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"996646"	157.080976	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1592243"	315.062928	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1421184"	345.094438	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1159125"	177.594251	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1712446"	362.120985	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1647612"	367.07638	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1586542"	383.05032	"C09918"	"Aucuparin;35-Dimethoxy-(11-biphenyl)-4-ol"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"807066"	328.0794	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M"	0
"975494"	309.06101	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-H2O-H"	-19.01839
"64830"	217.712324	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M-3H"	-3.021828
"504389"	327.072124	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M-3H"	-3.021828
"880853"	108.352524	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-3H"	-3.021828
"1248"	327.072124	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M-2H"	-2.014552
"442514"	491.111824	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M-2H"	-2.014552
"818489"	163.032424	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-2H"	-2.014552
"79329"	655.151524	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M-H"	-1.007276
"522057"	983.230924	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M-H"	-1.007276
"901684"	327.072124	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-H"	-1.007276
"54965"	672.178071	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M-2H+NH4"	16.019271
"493433"	1000.257471	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M-2H+NH4"	16.019271
"869046"	344.098671	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-2H+NH4"	16.019271
"35854"	677.133466	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M-2H+Na"	20.974666
"478700"	1005.212866	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M-2H+Na"	20.974666
"855408"	349.054066	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-2H+Na"	20.974666
"1620078"	349.054066	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Na-2H"	20.974666
"103657"	345.060463	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M-H+Cl"	33.962126
"539939"	509.100163	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M-H+Cl"	33.962126
"931265"	181.020763	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-H+Cl"	33.962126
"269459"	691.128202	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+Cl"	34.969402
"661269"	1019.207602	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+Cl"	34.969402
"1274404"	363.048802	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Cl"	34.969402
"16834"	693.107406	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M-2H+K"	36.948606
"459323"	1021.186806	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M-2H+K"	36.948606
"838217"	365.028006	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-2H+K"	36.948606
"1561342"	365.028006	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+K-2H"	36.948606
"948495"	373.077594	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-H+HCOOH"	44.998194
"369627"	701.157001	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+HCOOH-H"	44.998201
"348767"	715.172651	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+Hac-H"	59.013851
"1499063"	387.093251	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Hac-H"	59.013851
"961132"	395.059551	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-H+NaCOOH"	66.980151
"117699"	363.048802	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+2Cl"	69.938804
"554710"	527.088502	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+2Cl"	69.938804
"1031529"	199.009102	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2Cl"	69.938804
"1253298"	406.998285	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Br"	78.918885
"1315748"	409.054272	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Cl+HCOOH"	80.974872
"1332516"	431.036229	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Cl+NaCOOH"	102.956829
"925034"	441.064986	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M-H+CF3COOH"	112.985586
"1302835"	477.041664	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Cl+CF3COOH"	148.962264
"1379178"	293.066724	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H-2H2O"	-35.012676
"1391206"	311.0767	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H-H2O"	-17.0027
"288706"	657.166076	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+H"	1.007276
"689878"	985.245476	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+H"	1.007276
"1360757"	329.086676	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H"	1.007276
"138023"	329.086676	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+2H"	2.014552
"580870"	493.126376	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+2H"	2.014552
"1051748"	165.046976	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2H"	2.014552
"219944"	219.726876	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+3H"	3.021828
"659459"	329.086676	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+3H"	3.021828
"1178338"	110.367076	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+3H"	3.021828
"439799"	674.192623	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+NH4"	18.033823
"801269"	1002.272023	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+NH4"	18.033823
"1696958"	346.113223	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+NH4"	18.033823
"345522"	337.5999495	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+H+NH4"	19.041099
"738388"	501.6396495	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+H+NH4"	19.041099
"1492206"	173.5602495	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H+NH4"	19.041099
"406142"	679.148018	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+Na"	22.989218
"769448"	1007.227418	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+Na"	22.989218
"1615965"	351.068618	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Na"	22.989218
"326002"	340.077647	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+H+Na"	23.996494
"718423"	504.117347	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+H+Na"	23.996494
"1474807"	176.037947	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H+Na"	23.996494
"1066230"	117.69439	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2H+Na"	25.00377
"1270821"	361.112886	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+CH3OH+H"	33.033486
"391946"	695.121958	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+K"	38.963158
"750391"	1023.201358	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+K"	38.963158
"1550985"	367.042558	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+K"	38.963158
"311077"	348.064617	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+H+K"	39.970434
"703498"	512.104317	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+H+K"	39.970434
"1450029"	184.024917	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H+K"	39.970434
"246284"	698.192626	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+ACN+H"	42.033826
"1222637"	370.113226	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+ACN+H"	42.033826
"1201780"	185.560251	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+ACN+2H"	43.041102
"189544"	701.12996	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+2Na-H"	44.97116
"634211"	1029.20936	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+2Na-H"	44.97116
"1138085"	373.05056	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2Na-H"	44.97116
"178462"	351.068618	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+2Na"	45.978436
"618388"	515.108318	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+2Na"	45.978436
"1117880"	187.028918	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2Na"	45.978436
"1400796"	125.021704	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H+2Na"	46.985712
"1434253"	375.092146	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H+HCOOH"	47.012746
"225045"	356.10164	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+3H2O+2H"	56.04448
"1517478"	389.14419	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+IsoProp+H"	61.06479
"420449"	359.055588	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+Na+K"	61.952376
"779257"	523.095288	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+Na+K"	61.952376
"1679597"	195.015888	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Na+K"	61.952376
"264296"	720.174568	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+ACN+Na"	64.015768
"1239679"	392.095168	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+ACN+Na"	64.015768
"1726623"	392.118693	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+NH4+HCOOH"	64.039293
"1191249"	132.349018	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+3Na"	68.967654
"1662232"	397.074088	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Na+HCOOH"	68.994688
"168003"	733.07784	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+2K-H"	76.91904
"604286"	1061.15724	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+2K-H"	76.91904
"1092077"	404.99844	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2K-H"	76.91904
"147802"	367.042558	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"2M+2K"	77.926316
"591372"	531.082258	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"3M+2K"	77.926316
"1075157"	203.002858	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2K"	77.926316
"1107270"	407.012992	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2K+H"	78.933592
"1341469"	407.100607	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+DMSO+H"	79.021207
"1006840"	411.139776	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2ACN+H"	83.060376
"1525082"	412.133408	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+IsoProp+Na+H"	84.054008
"994569"	206.073526	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+2ACN+2H"	84.067652
"1592352"	413.048028	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+K+HCOOH"	84.968628
"1420201"	443.079538	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+H+CF3COOH"	115.000138
"1155955"	226.586801	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+3ACN+2H"	125.094202
"1708788"	460.106085	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+NH4+CF3COOH"	132.026685
"1647359"	465.06148	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+Na+CF3COOH"	136.98208
"1586652"	481.03542	"C09919"	"Bergenin"	"C14H16O9"	"328.0794"	"M+K+CF3COOH"	152.95602
"807176"	286.0841	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M"	0
"977792"	267.06571	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"66398"	189.715457333333	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"504863"	285.076824	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"881572"	94.3540906666667	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"183"	285.076824	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"441895"	428.118874	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"817874"	142.034774	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"81145"	571.160924	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"518794"	857.245024	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"900699"	285.076824	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"55075"	588.187471	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"490259"	874.271571	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"873530"	302.103371	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"44711"	593.142866	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"479903"	879.226966	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"855518"	307.058766	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1619946"	307.058766	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"97207"	303.065163	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"540049"	446.107213	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"929552"	160.023113	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"270662"	607.137602	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"661015"	893.221702	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1273183"	321.053502	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"16215"	609.116806	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"458338"	895.200906	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"835775"	323.032706	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1557439"	323.032706	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"944225"	331.082294	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"363534"	617.166401	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"347783"	631.182051	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1494429"	345.097951	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"960516"	353.064251	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"114893"	321.053502	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"556279"	464.095552	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1026536"	178.011452	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1245018"	365.002985	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1317316"	367.058972	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1328979"	389.040929	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"923684"	399.069686	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1298933"	435.046364	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1378194"	251.071424	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1388036"	269.0814	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"288816"	573.175476	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"690717"	859.259576	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1358681"	287.091376	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"141009"	287.091376	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"580943"	430.133426	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1051372"	144.049326	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"219912"	191.730009333333	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"659869"	287.091376	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1178470"	96.3686426666667	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"439926"	590.202023	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"801335"	876.286123	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1696584"	304.117923	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"345551"	295.6046495	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"738010"	438.6466995	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1491221"	152.5625995	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"406984"	595.157418	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"766882"	881.241518	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1616078"	309.073318	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"327204"	298.082347	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"716346"	441.124397	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1476247"	155.040297	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1067796"	103.695956666667	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1266196"	319.117586	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"390600"	611.131358	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"752325"	897.215458	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1550731"	325.047258	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"310458"	306.069317	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"702879"	449.111367	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1449046"	163.027267	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"244206"	614.202026	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1221288"	328.117926	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1202984"	164.562601	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"189048"	617.13936	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"636508"	903.22346	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1138924"	331.05526	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"177844"	309.073318	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"618498"	452.115368	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1117139"	166.031268	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1400785"	111.023270666667	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1431568"	333.096846	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"225155"	314.10634	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1515402"	347.14889	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"415091"	317.060288	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"777179"	460.102338	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1675697"	174.018238	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"264406"	636.183968	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1236021"	350.099868	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1726730"	350.123393	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1189902"	118.350584666667	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1659062"	355.078788	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"167019"	649.08724	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"603301"	935.17134	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1092186"	363.00314	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"150826"	325.047258	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"590751"	468.089308	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1076361"	182.005208	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1108473"	365.017692	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1338299"	365.105307	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1007071"	369.144476	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1527137"	370.138108	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"997959"	185.075876	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1592462"	371.052728	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1422496"	401.084238	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1157158"	205.589151	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1711083"	418.110785	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1648562"	423.06618	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1586762"	439.04012	"C09920"	"Brazilin"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"807286"	204.0786	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M"	0
"977538"	185.06021	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-H2O-H"	-19.01839
"64686"	135.045124	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M-3H"	-3.021828
"504609"	203.071324	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M-3H"	-3.021828
"881318"	67.018924	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-3H"	-3.021828
"32"	203.071324	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M-2H"	-2.014552
"440912"	305.110624	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M-2H"	-2.014552
"817374"	101.032024	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-2H"	-2.014552
"81256"	407.149924	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M-H"	-1.007276
"519598"	611.228524	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M-H"	-1.007276
"897163"	203.071324	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-H"	-1.007276
"52267"	424.176471	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M-2H+NH4"	16.019271
"491464"	628.255071	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M-2H+NH4"	16.019271
"872546"	220.097871	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-2H+NH4"	16.019271
"38261"	429.131866	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M-2H+Na"	20.974666
"472356"	633.210466	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M-2H+Na"	20.974666
"850890"	225.053266	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-2H+Na"	20.974666
"1618839"	225.053266	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Na-2H"	20.974666
"102784"	221.059663	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M-H+Cl"	33.962126
"540159"	323.098963	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M-H+Cl"	33.962126
"929662"	119.020363	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-H+Cl"	33.962126
"267856"	443.126602	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+Cl"	34.969402
"660641"	647.205202	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+Cl"	34.969402
"1273536"	239.048002	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Cl"	34.969402
"16445"	445.105806	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M-2H+K"	36.948606
"457719"	649.184406	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M-2H+K"	36.948606
"835520"	241.027206	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-2H+K"	36.948606
"1556091"	241.027206	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+K-2H"	36.948606
"943971"	249.076794	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-H+HCOOH"	44.998194
"362181"	453.155401	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+HCOOH-H"	44.998201
"346801"	467.171051	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+Hac-H"	59.013851
"1493446"	263.092451	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Hac-H"	59.013851
"960261"	271.058751	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-H+NaCOOH"	66.980151
"115003"	239.048002	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+2Cl"	69.938804
"555296"	341.087302	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+2Cl"	69.938804
"1027375"	137.008702	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2Cl"	69.938804
"1245856"	282.997485	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Br"	78.918885
"1317790"	285.053472	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Cl+HCOOH"	80.974872
"1329089"	307.035429	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Cl+NaCOOH"	102.956829
"922336"	317.064186	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M-H+CF3COOH"	112.985586
"1297950"	353.040864	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Cl+CF3COOH"	148.962264
"1381585"	169.065924	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H-2H2O"	-35.012676
"1388146"	187.0759	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H-H2O"	-17.0027
"288926"	409.164476	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+H"	1.007276
"690585"	613.243076	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+H"	1.007276
"1362070"	205.085876	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H"	1.007276
"137879"	205.085876	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+2H"	2.014552
"581310"	307.125176	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+2H"	2.014552
"1051846"	103.046576	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2H"	2.014552
"219257"	137.059676	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+3H"	3.021828
"659837"	205.085876	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+3H"	3.021828
"1178120"	69.033476	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+3H"	3.021828
"439858"	426.191023	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+NH4"	18.033823
"801221"	630.269623	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+NH4"	18.033823
"1696897"	222.112423	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+NH4"	18.033823
"345505"	213.5991495	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+H+NH4"	19.041099
"738462"	315.6384495	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+H+NH4"	19.041099
"1492343"	111.5598495	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H+NH4"	19.041099
"408188"	431.146418	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+Na"	22.989218
"768815"	635.225018	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+Na"	22.989218
"1616916"	227.067818	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Na"	22.989218
"327314"	216.076847	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+H+Na"	23.996494
"716456"	318.116147	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+H+Na"	23.996494
"1476478"	114.037547	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H+Na"	23.996494
"1067783"	76.36079	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2H+Na"	25.00377
"1270313"	237.112086	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+CH3OH+H"	33.033486
"390344"	447.120358	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+K"	38.963158
"752433"	651.198958	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+K"	38.963158
"1551204"	243.041758	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+K"	38.963158
"311297"	224.063817	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+H+K"	39.970434
"700803"	326.103117	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+H+K"	39.970434
"1455716"	122.024517	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H+K"	39.970434
"245409"	450.191026	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+ACN+H"	42.033826
"1220304"	246.112426	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+ACN+H"	42.033826
"1204187"	123.559851	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+ACN+2H"	43.041102
"189279"	453.12836	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+2Na-H"	44.97116
"637712"	657.20696	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+2Na-H"	44.97116
"1136117"	249.04976	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2Na-H"	44.97116
"180140"	227.067818	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+2Na"	45.978436
"616785"	329.107118	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+2Na"	45.978436
"1118827"	125.028518	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2Na"	45.978436
"1400893"	83.688104	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H+2Na"	46.985712
"1433379"	251.091346	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H+HCOOH"	47.012746
"225264"	232.10084	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+3H2O+2H"	56.04448
"1515512"	265.14339	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+IsoProp+H"	61.06479
"416294"	235.054788	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+Na+K"	61.952376
"776196"	337.094088	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+Na+K"	61.952376
"1674714"	133.015488	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Na+K"	61.952376
"263423"	472.172968	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+ACN+Na"	64.015768
"1237225"	268.094368	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+ACN+Na"	64.015768
"1727572"	268.117893	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+NH4+HCOOH"	64.039293
"1192559"	91.015418	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+3Na"	68.967654
"1660265"	273.073288	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Na+HCOOH"	68.994688
"169315"	485.07624	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+2K-H"	76.91904
"605234"	689.15484	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+2K-H"	76.91904
"1090109"	280.99764	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2K-H"	76.91904
"144739"	243.041758	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"2M+2K"	77.926316
"590861"	345.081058	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"3M+2K"	77.926316
"1077564"	141.002458	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2K"	77.926316
"1108583"	283.012192	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2K+H"	78.933592
"1338409"	283.099807	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+DMSO+H"	79.021207
"1007181"	287.138976	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2ACN+H"	83.060376
"1528340"	288.132608	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+IsoProp+Na+H"	84.054008
"995882"	144.073126	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+2ACN+2H"	84.067652
"1591479"	289.047228	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+K+HCOOH"	84.968628
"1422606"	319.078738	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+H+CF3COOH"	115.000138
"1157268"	164.586401	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+3ACN+2H"	125.094202
"1711193"	336.105285	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+NH4+CF3COOH"	132.026685
"1648309"	341.06068	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+Na+CF3COOH"	136.98208
"1586872"	357.03462	"C09921"	"3-Butylidene-7-hydroxyphthalide"	"C12H12O3"	"204.0786"	"M+K+CF3COOH"	152.95602
"807396"	386.1002	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M"	0
"977648"	367.08181	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-H2O-H"	-19.01839
"64068"	256.392857333333	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M-3H"	-3.021828
"503990"	385.092924	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M-3H"	-3.021828
"880334"	127.692790666667	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-3H"	-3.021828
"320"	385.092924	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M-2H"	-2.014552
"440658"	578.143024	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M-2H"	-2.014552
"817175"	192.042824	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-2H"	-2.014552
"83553"	771.193124	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M-H"	-1.007276
"519343"	1157.293324	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M-H"	-1.007276
"896909"	385.092924	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-H"	-1.007276
"48854"	788.219671	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M-2H+NH4"	16.019271
"491574"	1174.319871	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M-2H+NH4"	16.019271
"870469"	402.119471	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-2H+NH4"	16.019271
"41651"	793.175066	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M-2H+Na"	20.974666
"471574"	1179.275266	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M-2H+Na"	20.974666
"850272"	407.074866	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-2H+Na"	20.974666
"1620896"	407.074866	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Na-2H"	20.974666
"94366"	403.081263	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M-H+Cl"	33.962126
"541360"	596.131363	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M-H+Cl"	33.962126
"927186"	210.031163	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-H+Cl"	33.962126
"267843"	807.169802	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+Cl"	34.969402
"660094"	1193.270002	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+Cl"	34.969402
"1273767"	421.069602	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Cl"	34.969402
"15890"	809.149006	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M-2H+K"	36.948606
"456123"	1195.249206	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M-2H+K"	36.948606
"834170"	423.048806	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-2H+K"	36.948606
"1555628"	423.048806	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+K-2H"	36.948606
"942983"	431.098394	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-H+HCOOH"	44.998194
"361424"	817.198601	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+HCOOH-H"	44.998201
"346547"	831.214251	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+Hac-H"	59.013851
"1492823"	445.114051	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Hac-H"	59.013851
"961100"	453.080351	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-H+NaCOOH"	66.980151
"110204"	421.069602	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+2Cl"	69.938804
"553945"	614.119702	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+2Cl"	69.938804
"1025659"	228.019502	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2Cl"	69.938804
"1243779"	465.019085	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Br"	78.918885
"1309515"	467.075072	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Cl+HCOOH"	80.974872
"1321541"	489.057029	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Cl+NaCOOH"	102.956829
"921352"	499.085786	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M-H+CF3COOH"	112.985586
"1295873"	535.062464	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Cl+CF3COOH"	148.962264
"1379509"	351.087524	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H-2H2O"	-35.012676
"1388256"	369.0975	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H-H2O"	-17.0027
"289036"	773.207676	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+H"	1.007276
"690209"	1159.307876	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+H"	1.007276
"1359994"	387.107476	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H"	1.007276
"137989"	387.107476	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+2H"	2.014552
"572446"	580.157576	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+2H"	2.014552
"1051468"	194.057376	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2H"	2.014552
"219002"	258.407409333333	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+3H"	3.021828
"659292"	387.107476	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+3H"	3.021828
"1178335"	129.707342666667	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+3H"	3.021828
"439593"	790.234223	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+NH4"	18.033823
"800954"	1176.334423	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+NH4"	18.033823
"1696437"	404.134023	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+NH4"	18.033823
"344837"	395.6207495	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+H+NH4"	19.041099
"737257"	588.6708495	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+H+NH4"	19.041099
"1490709"	202.5706495	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H+NH4"	19.041099
"404652"	795.189618	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+Na"	22.989218
"767101"	1181.289818	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+Na"	22.989218
"1615199"	409.089418	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Na"	22.989218
"326328"	398.098447	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+H+Na"	23.996494
"715470"	591.148547	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+H+Na"	23.996494
"1472575"	205.048347	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H+Na"	23.996494
"1066677"	137.034656666667	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2H+Na"	25.00377
"1270423"	419.133686	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+CH3OH+H"	33.033486
"389723"	811.163558	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+K"	38.963158
"751812"	1197.263758	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+K"	38.963158
"1548033"	425.063358	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+K"	38.963158
"305208"	406.085417	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+H+K"	39.970434
"699817"	599.135517	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+H+K"	39.970434
"1452545"	213.035317	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H+K"	39.970434
"238959"	814.234226	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+ACN+H"	42.033826
"1213854"	428.134026	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+ACN+H"	42.033826
"1198830"	214.570651	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+ACN+2H"	43.041102
"189876"	817.17156	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+2Na-H"	44.97116
"630529"	1203.27176	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+2Na-H"	44.97116
"1131851"	431.07136	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2Na-H"	44.97116
"176970"	409.089418	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+2Na"	45.978436
"617624"	602.139518	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+2Na"	45.978436
"1117843"	216.039318	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2Na"	45.978436
"1400276"	144.361970666667	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H+2Na"	46.985712
"1433489"	433.112946	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H+HCOOH"	47.012746
"225374"	414.12244	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+3H2O+2H"	56.04448
"1516715"	447.16499	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+IsoProp+H"	61.06479
"416404"	417.076388	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+Na+K"	61.952376
"775212"	610.126488	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+Na+K"	61.952376
"1673731"	224.026288	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Na+K"	61.952376
"263532"	836.216168	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+ACN+Na"	64.015768
"1238428"	450.115968	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+ACN+Na"	64.015768
"1724036"	450.139493	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+NH4+HCOOH"	64.039293
"1191577"	151.689284666667	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+3Na"	68.967654
"1657095"	455.094888	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Na+HCOOH"	68.994688
"166146"	849.11944	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+2K-H"	76.91904
"604614"	1235.21964	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+2K-H"	76.91904
"1090219"	463.01924	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2K-H"	76.91904
"144849"	425.063358	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"2M+2K"	77.926316
"590971"	618.113458	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"3M+2K"	77.926316
"1076581"	232.013258	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2K"	77.926316
"1107600"	465.033792	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2K+H"	78.933592
"1338519"	465.121407	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+DMSO+H"	79.021207
"1007170"	469.160576	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2ACN+H"	83.060376
"1528450"	470.154208	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+IsoProp+Na+H"	84.054008
"993806"	235.083926	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+2ACN+2H"	84.067652
"1590496"	471.068828	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+K+HCOOH"	84.968628
"1421623"	501.100338	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+H+CF3COOH"	115.000138
"1157378"	255.597201	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+3ACN+2H"	125.094202
"1710939"	518.126885	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+NH4+CF3COOH"	132.026685
"1648783"	523.08228	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+Na+CF3COOH"	136.98208
"1586982"	539.05622	"C09922"	"Cleomiscosin A"	"C20H18O8"	"386.1002"	"M+K+CF3COOH"	152.95602
"807506"	260.1049	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M"	0
"977758"	241.08651	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-H2O-H"	-19.01839
"65270"	172.395990666667	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M-3H"	-3.021828
"505922"	259.097624	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M-3H"	-3.021828
"881901"	85.6943573333333	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-3H"	-3.021828
"1083"	259.097624	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M-2H"	-2.014552
"440768"	389.150074	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M-2H"	-2.014552
"821483"	129.045174	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-2H"	-2.014552
"86943"	519.202524	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M-H"	-1.007276
"524314"	779.307424	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M-H"	-1.007276
"896897"	259.097624	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-H"	-1.007276
"48843"	536.229071	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M-2H+NH4"	16.019271
"491684"	796.333971	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M-2H+NH4"	16.019271
"870579"	276.124171	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-2H+NH4"	16.019271
"41761"	541.184466	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M-2H+Na"	20.974666
"472084"	801.289366	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M-2H+Na"	20.974666
"852568"	281.079566	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-2H+Na"	20.974666
"1622099"	281.079566	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Na-2H"	20.974666
"95467"	277.085963	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M-H+Cl"	33.962126
"542563"	407.138413	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M-H+Cl"	33.962126
"927692"	147.033513	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-H+Cl"	33.962126
"269533"	555.179202	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+Cl"	34.969402
"660366"	815.284102	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+Cl"	34.969402
"1275457"	295.074302	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Cl"	34.969402
"15818"	557.158406	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M-2H+K"	36.948606
"459395"	817.263306	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M-2H+K"	36.948606
"836102"	297.053506	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-2H+K"	36.948606
"1556305"	297.053506	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+K-2H"	36.948606
"943826"	305.103094	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-H+HCOOH"	44.998194
"361914"	565.208001	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+HCOOH-H"	44.998201
"348115"	579.223651	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+Hac-H"	59.013851
"1493665"	319.118751	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Hac-H"	59.013851
"963032"	327.085051	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-H+NaCOOH"	66.980151
"110846"	295.074302	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+2Cl"	69.938804
"550645"	425.126752	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+2Cl"	69.938804
"1022488"	165.021852	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2Cl"	69.938804
"1242796"	339.023785	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Br"	78.918885
"1306705"	341.079772	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Cl+HCOOH"	80.974872
"1321282"	363.061729	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Cl+NaCOOH"	102.956829
"915629"	373.090486	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M-H+CF3COOH"	112.985586
"1291971"	409.067164	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Cl+CF3COOH"	148.962264
"1379617"	225.092224	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H-2H2O"	-35.012676
"1388366"	243.1022	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H-H2O"	-17.0027
"286958"	521.217076	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+H"	1.007276
"685942"	781.321976	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+H"	1.007276
"1362290"	261.112176	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H"	1.007276
"138463"	261.112176	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+2H"	2.014552
"573649"	391.164626	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+2H"	2.014552
"1052425"	131.059726	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2H"	2.014552
"219898"	174.410542666667	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+3H"	3.021828
"659764"	261.112176	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+3H"	3.021828
"1178293"	87.7089093333333	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+3H"	3.021828
"439460"	538.243623	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+NH4"	18.033823
"800941"	798.348523	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+NH4"	18.033823
"1696545"	278.138723	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+NH4"	18.033823
"344944"	269.6254495	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+H+NH4"	19.041099
"737975"	399.6778995	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+H+NH4"	19.041099
"1491549"	139.5729995	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H+NH4"	19.041099
"407188"	543.199018	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+Na"	22.989218
"767208"	803.303918	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+Na"	22.989218
"1616283"	283.094118	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Na"	22.989218
"322068"	272.103147	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+H+Na"	23.996494
"716673"	402.155597	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+H+Na"	23.996494
"1472685"	142.050697	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H+Na"	23.996494
"1067390"	95.0362233333333	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2H+Na"	25.00377
"1270890"	293.138386	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+CH3OH+H"	33.033486
"386188"	559.172958	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+K"	38.963158
"748276"	819.277858	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+K"	38.963158
"1547050"	299.068058	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+K"	38.963158
"309693"	280.090117	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+H+K"	39.970434
"699927"	410.142567	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+H+K"	39.970434
"1450468"	150.037667	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H+K"	39.970434
"240161"	562.243626	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+ACN+H"	42.033826
"1213964"	302.138726	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+ACN+H"	42.033826
"1197847"	151.573001	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+ACN+2H"	43.041102
"189499"	565.18096	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+2Na-H"	44.97116
"629910"	825.28586	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+2Na-H"	44.97116
"1132325"	305.07606	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2Na-H"	44.97116
"173295"	283.094118	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+2Na"	45.978436
"613433"	413.146568	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+2Na"	45.978436
"1116006"	153.041668	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2Na"	45.978436
"1400387"	102.363537333333	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H+2Na"	46.985712
"1431772"	307.117646	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H+HCOOH"	47.012746
"225482"	288.12714	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+3H2O+2H"	56.04448
"1513542"	321.16969	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+IsoProp+H"	61.06479
"415418"	291.081088	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+Na+K"	61.952376
"776415"	421.133538	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+Na+K"	61.952376
"1673840"	161.028638	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Na+K"	61.952376
"260360"	584.225568	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+ACN+Na"	64.015768
"1233070"	324.120668	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+ACN+Na"	64.015768
"1721956"	324.144193	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+NH4+HCOOH"	64.039293
"1185124"	109.690851333333	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+3Na"	68.967654
"1659028"	329.099588	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Na+HCOOH"	68.994688
"165161"	597.12884	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+2K-H"	76.91904
"599134"	857.23374	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+2K-H"	76.91904
"1087048"	337.02394	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2K-H"	76.91904
"143866"	299.068058	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"2M+2K"	77.926316
"585615"	429.120508	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"3M+2K"	77.926316
"1070250"	169.015608	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2K"	77.926316
"1100293"	339.038492	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2K+H"	78.933592
"1336196"	339.126107	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+DMSO+H"	79.021207
"1006302"	343.165276	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2ACN+H"	83.060376
"1525521"	344.158908	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+IsoProp+Na+H"	84.054008
"990876"	172.086276	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+2ACN+2H"	84.067652
"1590606"	345.073528	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+K+HCOOH"	84.968628
"1419547"	375.105038	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+H+CF3COOH"	115.000138
"1150928"	192.599551	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+3ACN+2H"	125.094202
"1701572"	392.131585	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+NH4+CF3COOH"	132.026685
"1642694"	397.08698	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+Na+CF3COOH"	136.98208
"1577251"	413.06092	"C09923"	"Cyperine"	"C15H16O4"	"260.1049"	"M+K+CF3COOH"	152.95602
"817010"	386.1002	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M"	0
"982242"	367.08181	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-H2O-H"	-19.01839
"69390"	256.392857333333	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M-3H"	-3.021828
"512230"	385.092924	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M-3H"	-3.021828
"885658"	127.692790666667	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-3H"	-3.021828
"5327"	385.092924	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M-2H"	-2.014552
"443066"	578.143024	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M-2H"	-2.014552
"822689"	192.042824	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-2H"	-2.014552
"87053"	771.193124	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M-H"	-1.007276
"519444"	1157.293324	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M-H"	-1.007276
"896398"	385.092924	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-H"	-1.007276
"52233"	788.219671	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M-2H+NH4"	16.019271
"491794"	1174.319871	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M-2H+NH4"	16.019271
"870689"	402.119471	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-2H+NH4"	16.019271
"40778"	793.175066	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M-2H+Na"	20.974666
"474874"	1179.275266	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M-2H+Na"	20.974666
"850609"	407.074866	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-2H+Na"	20.974666
"1622211"	407.074866	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Na-2H"	20.974666
"99834"	403.081263	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M-H+Cl"	33.962126
"538300"	596.131363	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M-H+Cl"	33.962126
"931816"	210.031163	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-H+Cl"	33.962126
"268790"	807.169802	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+Cl"	34.969402
"661821"	1193.270002	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+Cl"	34.969402
"1279941"	421.069602	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Cl"	34.969402
"22132"	809.149006	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M-2H+K"	36.948606
"461694"	1195.249206	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M-2H+K"	36.948606
"835119"	423.048806	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-2H+K"	36.948606
"1559334"	423.048806	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+K-2H"	36.948606
"947219"	431.098394	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-H+HCOOH"	44.998194
"363608"	817.198601	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+HCOOH-H"	44.998201
"349319"	831.214251	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+Hac-H"	59.013851
"1494505"	445.114051	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Hac-H"	59.013851
"960955"	453.080351	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-H+NaCOOH"	66.980151
"114240"	421.069602	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+2Cl"	69.938804
"554166"	614.119702	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+2Cl"	69.938804
"1026246"	228.019502	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2Cl"	69.938804
"1247284"	465.019085	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Br"	78.918885
"1305357"	467.075072	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Cl+HCOOH"	80.974872
"1323222"	489.057029	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Cl+NaCOOH"	102.956829
"915739"	499.085786	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M-H+CF3COOH"	112.985586
"1290260"	535.062464	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Cl+CF3COOH"	148.962264
"1381558"	351.087524	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H-2H2O"	-35.012676
"1397957"	369.0975	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H-H2O"	-17.0027
"298452"	773.207676	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+H"	1.007276
"691200"	1159.307876	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+H"	1.007276
"1365680"	387.107476	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H"	1.007276
"138573"	387.107476	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+2H"	2.014552
"575945"	580.157576	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+2H"	2.014552
"1051683"	194.057376	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2H"	2.014552
"219827"	258.407409333333	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+3H"	3.021828
"659638"	387.107476	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+3H"	3.021828
"1177958"	129.707342666667	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+3H"	3.021828
"438717"	790.234223	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+NH4"	18.033823
"798619"	1176.334423	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+NH4"	18.033823
"1696369"	404.134023	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+NH4"	18.033823
"344972"	395.6207495	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+H+NH4"	19.041099
"737839"	588.6708495	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+H+NH4"	19.041099
"1491658"	202.5706495	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H+NH4"	19.041099
"407421"	795.189618	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+Na"	22.989218
"768054"	1181.289818	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+Na"	22.989218
"1616148"	409.089418	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Na"	22.989218
"327644"	398.098447	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+H+Na"	23.996494
"716785"	591.148547	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+H+Na"	23.996494
"1472794"	205.048347	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H+Na"	23.996494
"1066408"	137.034656666667	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2H+Na"	25.00377
"1268816"	419.133686	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+CH3OH+H"	33.033486
"387757"	811.163558	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+K"	38.963158
"749481"	1197.263758	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+K"	38.963158
"1548253"	425.063358	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+K"	38.963158
"307616"	406.085417	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+H+K"	39.970434
"697850"	599.135517	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+H+K"	39.970434
"1451671"	213.035317	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H+K"	39.970434
"243551"	814.234226	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+ACN+H"	42.033826
"1217356"	428.134026	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+ACN+H"	42.033826
"1203425"	214.570651	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+ACN+2H"	43.041102
"196296"	817.17156	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+2Na-H"	44.97116
"639138"	1203.27176	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+2Na-H"	44.97116
"1142642"	431.07136	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2Na-H"	44.97116
"173896"	409.089418	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+2Na"	45.978436
"613946"	602.139518	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+2Na"	45.978436
"1115991"	216.039318	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2Na"	45.978436
"1400492"	144.361970666667	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H+2Na"	46.985712
"1432608"	433.112946	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H+HCOOH"	47.012746
"226685"	414.12244	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+3H2O+2H"	56.04448
"1512558"	447.16499	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+IsoProp+H"	61.06479
"414435"	417.076388	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+Na+K"	61.952376
"774338"	610.126488	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+Na+K"	61.952376
"1676136"	224.026288	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Na+K"	61.952376
"259379"	836.216168	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+ACN+Na"	64.015768
"1236096"	450.115968	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+ACN+Na"	64.015768
"1723891"	450.139493	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+NH4+HCOOH"	64.039293
"1188150"	151.689284666667	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+3Na"	68.967654
"1658411"	455.094888	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Na+HCOOH"	68.994688
"163084"	849.11944	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+2K-H"	76.91904
"597616"	1235.21964	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+2K-H"	76.91904
"1084727"	463.01924	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2K-H"	76.91904
"142509"	425.063358	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"2M+2K"	77.926316
"584631"	618.113458	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"3M+2K"	77.926316
"1072425"	232.013258	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2K"	77.926316
"1100153"	465.033792	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2K+H"	78.933592
"1338738"	465.121407	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+DMSO+H"	79.021207
"1005917"	469.160576	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2ACN+H"	83.060376
"1524650"	470.154208	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+IsoProp+Na+H"	84.054008
"990497"	235.083926	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+2ACN+2H"	84.067652
"1587390"	471.068828	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+K+HCOOH"	84.968628
"1415039"	501.100338	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+H+CF3COOH"	115.000138
"1150308"	255.597201	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+3ACN+2H"	125.094202
"1701682"	518.126885	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+NH4+CF3COOH"	132.026685
"1646085"	523.08228	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+Na+CF3COOH"	136.98208
"1577361"	539.05622	"C09924"	"Daphneticin"	"C20H18O8"	"386.1002"	"M+K+CF3COOH"	152.95602
"807726"	228.0786	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M"	0
"977979"	209.06021	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"65126"	151.045124	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"504321"	227.071324	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"880906"	75.018924	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"1426"	227.071324	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"442447"	341.110624	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"819519"	113.032024	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"87163"	455.149924	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"519065"	683.228524	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"896145"	227.071324	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"52343"	472.176471	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"491904"	700.255071	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"870799"	244.097871	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"37608"	477.131866	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"474984"	705.210466	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"848536"	249.053266	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1620862"	249.053266	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"102132"	245.059663	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"537317"	359.098963	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"928400"	131.020363	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"271573"	491.126602	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"661444"	719.205202	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1280785"	263.048002	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"21154"	493.105806	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"458524"	721.184406	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"837786"	265.027206	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1556533"	265.027206	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"945144"	273.076794	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"364450"	501.155401	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"347608"	515.171051	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1494257"	287.092451	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"961068"	295.058751	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"111801"	263.048002	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"554642"	377.087302	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1025630"	149.008702	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1243021"	306.997485	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1305835"	309.053472	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1320416"	331.035429	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"915485"	341.064186	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1290006"	377.040864	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1375463"	193.065924	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1391866"	211.0759	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"291552"	457.164476	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"687255"	685.243076	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1360323"	229.085876	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"138683"	229.085876	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"574961"	343.125176	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1049968"	115.046576	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"219913"	153.059676	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"659838"	229.085876	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1178433"	77.033476	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"438949"	474.191023	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"800186"	702.269623	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1696152"	246.112423	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"345647"	237.5991495	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"738486"	351.6384495	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1490669"	123.5598495	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"407895"	479.146418	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"766342"	707.225018	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1618083"	251.067818	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"327756"	240.076847	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"720175"	354.116147	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1471810"	126.037547	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1066517"	84.36079	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1268926"	261.112086	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"388960"	495.120358	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"750684"	723.198958	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1548363"	267.041758	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"308819"	248.063817	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"700146"	362.103117	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1453967"	134.024517	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"243661"	498.191026	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1219653"	270.112426	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1203535"	135.559851	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"199687"	501.12836	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"639248"	729.20696	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1141659"	273.04976	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"172935"	251.067818	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"612961"	365.107118	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1116713"	137.028518	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1399508"	91.688104	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1432353"	275.091346	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"223879"	256.10084	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1512668"	289.14339	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"411263"	259.054788	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"772624"	373.094088	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1671872"	145.015488	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"262768"	520.172968	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1235476"	292.094368	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1722176"	292.117893	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1188624"	99.015418	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1660706"	297.073288	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"159547"	533.07624	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"598254"	761.15484	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1085927"	304.99764	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"142379"	267.041758	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"585833"	381.081058	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1069492"	153.002458	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1101243"	307.012192	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1338114"	307.099807	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1005789"	311.138976	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1526229"	312.132608	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"991218"	156.073126	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1589367"	313.047228	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1417580"	343.078738	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1151148"	176.586401	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1701792"	360.105285	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1646195"	365.06068	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1577471"	381.03462	"C09925"	"56-Dehydrokawain"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"807836"	276.0998	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M"	0
"974600"	257.08141	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-H2O-H"	-19.01839
"64144"	183.059257333333	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M-3H"	-3.021828
"503120"	275.092524	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M-3H"	-3.021828
"885877"	91.0259906666667	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-3H"	-3.021828
"1172"	275.092524	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M-2H"	-2.014552
"444015"	413.142424	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M-2H"	-2.014552
"819629"	137.042624	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-2H"	-2.014552
"83992"	551.192324	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M-H"	-1.007276
"519301"	827.292124	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M-H"	-1.007276
"896255"	275.092524	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-H"	-1.007276
"52453"	568.218871	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M-2H+NH4"	16.019271
"492014"	844.318671	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M-2H+NH4"	16.019271
"873096"	292.119071	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-2H+NH4"	16.019271
"40634"	573.174266	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M-2H+Na"	20.974666
"475094"	849.274066	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M-2H+Na"	20.974666
"849615"	297.074466	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-2H+Na"	20.974666
"1620244"	297.074466	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Na-2H"	20.974666
"94949"	293.080863	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M-H+Cl"	33.962126
"534792"	431.130763	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M-H+Cl"	33.962126
"929117"	155.030963	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-H+Cl"	33.962126
"271684"	587.169002	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+Cl"	34.969402
"660093"	863.268802	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+Cl"	34.969402
"1278708"	311.069202	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Cl"	34.969402
"22357"	589.148206	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M-2H+K"	36.948606
"459728"	865.248006	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M-2H+K"	36.948606
"837532"	313.048406	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-2H+K"	36.948606
"1556280"	313.048406	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+K-2H"	36.948606
"947806"	321.097994	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-H+HCOOH"	44.998194
"363103"	597.197801	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+HCOOH-H"	44.998201
"348811"	611.213451	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+Hac-H"	59.013851
"1495093"	335.113651	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Hac-H"	59.013851
"962271"	343.079951	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-H+NaCOOH"	66.980151
"112269"	311.069202	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+2Cl"	69.938804
"556939"	449.119102	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+2Cl"	69.938804
"1027927"	173.019302	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2Cl"	69.938804
"1247505"	355.018685	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Br"	78.918885
"1306310"	357.074672	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Cl+HCOOH"	80.974872
"1321619"	379.056629	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Cl+NaCOOH"	102.956829
"915231"	389.085386	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M-H+CF3COOH"	112.985586
"1288694"	425.062064	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Cl+CF3COOH"	148.962264
"1375573"	241.087124	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H-2H2O"	-35.012676
"1386509"	259.0971	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H-H2O"	-17.0027
"289475"	553.206876	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+H"	1.007276
"685179"	829.306676	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+H"	1.007276
"1360433"	277.107076	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H"	1.007276
"132230"	277.107076	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+2H"	2.014552
"572884"	415.156976	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+2H"	2.014552
"1047162"	139.057176	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2H"	2.014552
"217981"	185.073809333333	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+3H"	3.021828
"657905"	277.107076	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+3H"	3.021828
"1174937"	93.0405426666667	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+3H"	3.021828
"436019"	570.233423	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+NH4"	18.033823
"799200"	846.333223	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+NH4"	18.033823
"1694681"	294.133623	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+NH4"	18.033823
"343081"	285.6203495	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+H+NH4"	19.041099
"736233"	423.6702495	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+H+NH4"	19.041099
"1486768"	147.5704495	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H+NH4"	19.041099
"406544"	575.188818	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+Na"	22.989218
"766813"	851.288618	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+Na"	22.989218
"1617101"	299.089018	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Na"	22.989218
"328229"	288.098047	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+H+Na"	23.996494
"721016"	426.147947	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+H+Na"	23.996494
"1471920"	150.048147	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H+Na"	23.996494
"1064803"	100.367856666667	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2H+Na"	25.00377
"1267943"	309.133286	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+CH3OH+H"	33.033486
"388704"	591.162758	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+K"	38.963158
"748605"	867.262558	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+K"	38.963158
"1549566"	315.062958	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+K"	38.963158
"308929"	296.085017	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+H+K"	39.970434
"702443"	434.134917	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+H+K"	39.970434
"1454075"	158.035117	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H+K"	39.970434
"243771"	594.233426	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+ACN+H"	42.033826
"1218670"	318.133626	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+ACN+H"	42.033826
"1203647"	159.570451	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+ACN+2H"	43.041102
"199797"	597.17076	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+2Na-H"	44.97116
"636078"	873.27056	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+2Na-H"	44.97116
"1141769"	321.07096	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2Na-H"	44.97116
"173260"	299.089018	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+2Na"	45.978436
"614047"	437.138918	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+2Na"	45.978436
"1117188"	161.039118	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2Na"	45.978436
"1399618"	107.695170666667	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H+2Na"	46.985712
"1430233"	323.112546	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H+HCOOH"	47.012746
"223989"	304.12204	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+3H2O+2H"	56.04448
"1509863"	337.16459	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+IsoProp+H"	61.06479
"411009"	307.075988	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+Na+K"	61.952376
"772734"	445.125888	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+Na+K"	61.952376
"1673076"	169.026088	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Na+K"	61.952376
"262878"	616.215368	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+ACN+Na"	64.015768
"1235586"	340.115568	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+ACN+Na"	64.015768
"1723381"	340.139093	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+NH4+HCOOH"	64.039293
"1187641"	115.022484666667	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+3Na"	68.967654
"1659360"	345.094488	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Na+HCOOH"	68.994688
"158929"	629.11864	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+2K-H"	76.91904
"597640"	905.21844	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+2K-H"	76.91904
"1085671"	353.01884	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2K-H"	76.91904
"145288"	315.062958	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"2M+2K"	77.926316
"582295"	453.112858	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"3M+2K"	77.926316
"1071548"	177.013058	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2K"	77.926316
"1102571"	355.033392	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2K+H"	78.933592
"1337860"	355.121007	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+DMSO+H"	79.021207
"1007850"	359.160176	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2ACN+H"	83.060376
"1524296"	360.153808	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+IsoProp+Na+H"	84.054008
"990475"	180.083726	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+2ACN+2H"	84.067652
"1587654"	361.068428	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+K+HCOOH"	84.968628
"1416596"	391.099938	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+H+CF3COOH"	115.000138
"1152350"	200.597001	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+3ACN+2H"	125.094202
"1701902"	408.126485	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+NH4+CF3COOH"	132.026685
"1646305"	413.08188	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+Na+CF3COOH"	136.98208
"1577581"	429.05582	"C09926"	"Dihydromethysticin"	"C15H16O5"	"276.0998"	"M+K+CF3COOH"	152.95602
"807946"	386.2093	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M"	0
"975280"	367.19091	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-H2O-H"	-19.01839
"64254"	256.465590666667	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M-3H"	-3.021828
"504906"	385.202024	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M-3H"	-3.021828
"889267"	127.729157333333	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-3H"	-3.021828
"674"	385.202024	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M-2H"	-2.014552
"445218"	578.306674	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M-2H"	-2.014552
"819738"	192.097374	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-2H"	-2.014552
"83008"	771.411324	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M-H"	-1.007276
"521475"	1157.620624	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M-H"	-1.007276
"897455"	385.202024	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-H"	-1.007276
"47822"	788.437871	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M-2H+NH4"	16.019271
"492124"	1174.647171	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M-2H+NH4"	16.019271
"871020"	402.228571	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-2H+NH4"	16.019271
"41107"	793.393266	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M-2H+Na"	20.974666
"475204"	1179.602566	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M-2H+Na"	20.974666
"853004"	407.183966	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-2H+Na"	20.974666
"1619624"	407.183966	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Na-2H"	20.974666
"95788"	403.190363	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M-H+Cl"	33.962126
"536441"	596.295013	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M-H+Cl"	33.962126
"929957"	210.085713	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-H+Cl"	33.962126
"269606"	807.388002	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+Cl"	34.969402
"660160"	1193.597302	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+Cl"	34.969402
"1282097"	421.178702	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Cl"	34.969402
"23562"	809.367206	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M-2H+K"	36.948606
"466400"	1195.576506	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M-2H+K"	36.948606
"840923"	423.157906	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-2H+K"	36.948606
"1558942"	423.157906	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+K-2H"	36.948606
"952290"	431.207494	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-H+HCOOH"	44.998194
"367224"	817.416801	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+HCOOH-H"	44.998201
"350016"	831.432451	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+Hac-H"	59.013851
"1494476"	445.223151	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Hac-H"	59.013851
"961652"	453.189451	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-H+NaCOOH"	66.980151
"112380"	421.178702	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+2Cl"	69.938804
"555956"	614.283352	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+2Cl"	69.938804
"1026944"	228.074052	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2Cl"	69.938804
"1248709"	465.128185	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Br"	78.918885
"1307149"	467.184172	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Cl+HCOOH"	80.974872
"1320312"	489.166129	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Cl+NaCOOH"	102.956829
"915341"	499.194886	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M-H+CF3COOH"	112.985586
"1288489"	535.171564	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Cl+CF3COOH"	148.962264
"1375683"	351.196624	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H-2H2O"	-35.012676
"1387712"	369.2066	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H-H2O"	-17.0027
"289585"	773.425876	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+H"	1.007276
"685289"	1159.635176	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+H"	1.007276
"1353982"	387.216576	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H"	1.007276
"133434"	387.216576	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+2H"	2.014552
"574088"	580.321226	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+2H"	2.014552
"1047272"	194.111926	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2H"	2.014552
"217849"	258.480142666667	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+3H"	3.021828
"658868"	387.216576	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+3H"	3.021828
"1175774"	129.743709333333	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+3H"	3.021828
"430663"	790.452423	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+NH4"	18.033823
"796030"	1176.661723	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+NH4"	18.033823
"1693820"	404.243123	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+NH4"	18.033823
"343557"	395.7298495	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+H+NH4"	19.041099
"734155"	588.8344995	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+H+NH4"	19.041099
"1487973"	202.6251995	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H+NH4"	19.041099
"405562"	795.407818	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+Na"	22.989218
"764371"	1181.617118	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+Na"	22.989218
"1616115"	409.198518	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Na"	22.989218
"326882"	398.207547	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+H+Na"	23.996494
"717113"	591.312197	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+H+Na"	23.996494
"1470936"	205.102897	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H+Na"	23.996494
"1061996"	137.071023333333	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2H+Na"	25.00377
"1269142"	419.242786	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+CH3OH+H"	33.033486
"386626"	811.381758	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+K"	38.963158
"747624"	1197.591058	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+K"	38.963158
"1549675"	425.172458	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+K"	38.963158
"310131"	406.194517	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+H+K"	39.970434
"702551"	599.299167	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+H+K"	39.970434
"1454185"	213.089867	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H+K"	39.970434
"247162"	814.452426	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+ACN+H"	42.033826
"1222061"	428.243126	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+ACN+H"	42.033826
"1207037"	214.625201	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+ACN+2H"	43.041102
"199908"	817.38976	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+2Na-H"	44.97116
"635094"	1203.59906	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+2Na-H"	44.97116
"1140786"	431.18046	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2Na-H"	44.97116
"173783"	409.198518	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+2Na"	45.978436
"613341"	602.303168	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+2Na"	45.978436
"1116323"	216.093868	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2Na"	45.978436
"1398995"	144.398337333333	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H+2Na"	46.985712
"1432575"	433.222046	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H+HCOOH"	47.012746
"223363"	414.23154	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+3H2O+2H"	56.04448
"1509236"	447.27409	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+IsoProp+H"	61.06479
"409659"	417.185488	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+Na+K"	61.952376
"772844"	610.290138	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+Na+K"	61.952376
"1673550"	224.080838	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Na+K"	61.952376
"259708"	836.434368	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+ACN+Na"	64.015768
"1230592"	450.225068	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+ACN+Na"	64.015768
"1719116"	450.248593	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+NH4+HCOOH"	64.039293
"1182647"	151.725651333333	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+3Na"	68.967654
"1653998"	455.203988	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Na+HCOOH"	68.994688
"157578"	849.33764	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+2K-H"	76.91904
"597872"	1235.54694	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+2K-H"	76.91904
"1084566"	463.12834	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2K-H"	76.91904
"141992"	425.172458	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"2M+2K"	77.926316
"581921"	618.277108	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"3M+2K"	77.926316
"1069835"	232.067808	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2K"	77.926316
"1101586"	465.142892	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2K+H"	78.933592
"1335654"	465.230507	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+DMSO+H"	79.021207
"1006867"	469.269676	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2ACN+H"	83.060376
"1524747"	470.263308	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+IsoProp+Na+H"	84.054008
"990014"	235.138476	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+2ACN+2H"	84.067652
"1588494"	471.177928	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+K+HCOOH"	84.968628
"1421080"	501.209438	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+H+CF3COOH"	115.000138
"1152461"	255.651751	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+3ACN+2H"	125.094202
"1702012"	518.235985	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+NH4+CF3COOH"	132.026685
"1646415"	523.19138	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+Na+CF3COOH"	136.98208
"1577691"	539.16532	"C09927"	"Euglobal-Ia1"	"C23H30O5"	"386.2093"	"M+K+CF3COOH"	152.95602
"804776"	220.1099	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M"	0
"974372"	201.09151	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-H2O-H"	-19.01839
"65457"	145.732657333333	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M-3H"	-3.021828
"508296"	219.102624	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M-3H"	-3.021828
"889377"	72.3626906666667	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-3H"	-3.021828
"6859"	219.102624	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M-2H"	-2.014552
"442047"	329.157574	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M-2H"	-2.014552
"824221"	109.047674	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-2H"	-2.014552
"80932"	439.212524	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M-H"	-1.007276
"519033"	659.322424	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M-H"	-1.007276
"895984"	219.102624	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-H"	-1.007276
"47440"	456.239071	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M-2H+NH4"	16.019271
"488955"	676.348971	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M-2H+NH4"	16.019271
"871130"	236.129171	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-2H+NH4"	16.019271
"39031"	461.194466	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M-2H+Na"	20.974666
"473248"	681.304366	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M-2H+Na"	20.974666
"853114"	241.084566	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-2H+Na"	20.974666
"1619041"	241.084566	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Na-2H"	20.974666
"95169"	237.090963	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M-H+Cl"	33.962126
"534602"	347.145913	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M-H+Cl"	33.962126
"929702"	127.036013	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-H+Cl"	33.962126
"269716"	475.189202	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+Cl"	34.969402
"661158"	695.299102	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+Cl"	34.969402
"1282207"	255.079302	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Cl"	34.969402
"25857"	477.168406	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M-2H+K"	36.948606
"466510"	697.278306	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M-2H+K"	36.948606
"841033"	257.058506	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-2H+K"	36.948606
"1562332"	257.058506	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+K-2H"	36.948606
"952400"	265.108094	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-H+HCOOH"	44.998194
"367332"	485.218001	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+HCOOH-H"	44.998201
"353042"	499.233651	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+Hac-H"	59.013851
"1494950"	279.123751	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Hac-H"	59.013851
"961398"	287.090051	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-H+NaCOOH"	66.980151
"114312"	255.079302	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+2Cl"	69.938804
"556066"	365.134252	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+2Cl"	69.938804
"1031427"	145.024352	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2Cl"	69.938804
"1252099"	299.028785	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Br"	78.918885
"1309082"	301.084772	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Cl+HCOOH"	80.974872
"1326578"	323.066729	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Cl+NaCOOH"	102.956829
"918731"	333.095486	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M-H+CF3COOH"	112.985586
"1292158"	369.072164	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Cl+CF3COOH"	148.962264
"1379073"	185.097224	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H-2H2O"	-35.012676
"1388916"	203.1072	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H-H2O"	-17.0027
"289695"	441.227076	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+H"	1.007276
"689772"	661.336976	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+H"	1.007276
"1358465"	221.117176	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H"	1.007276
"134637"	221.117176	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+2H"	2.014552
"578571"	331.172126	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+2H"	2.014552
"1048113"	111.062226	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2H"	2.014552
"214918"	147.747209333333	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+3H"	3.021828
"657031"	221.117176	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+3H"	3.021828
"1176982"	74.3772426666667	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+3H"	3.021828
"432957"	458.253623	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+NH4"	18.033823
"798327"	678.363523	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+NH4"	18.033823
"1695752"	238.143723	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+NH4"	18.033823
"342936"	229.6304495	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+H+NH4"	19.041099
"737425"	339.6853995	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+H+NH4"	19.041099
"1489177"	119.5754995	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H+NH4"	19.041099
"405308"	463.209018	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+Na"	22.989218
"764481"	683.318918	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+Na"	22.989218
"1616952"	243.099118	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Na"	22.989218
"327721"	232.108147	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+H+Na"	23.996494
"717223"	342.163097	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+H+Na"	23.996494
"1474325"	122.053197	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H+Na"	23.996494
"1065385"	81.7045566666667	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2H+Na"	25.00377
"1269252"	253.143386	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+CH3OH+H"	33.033486
"389650"	479.182958	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+K"	38.963158
"748097"	699.292858	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+K"	38.963158
"1548689"	259.073058	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+K"	38.963158
"310239"	240.095117	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+H+K"	39.970434
"700474"	350.150067	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+H+K"	39.970434
"1454295"	130.040167	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H+K"	39.970434
"246180"	482.253626	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+ACN+H"	42.033826
"1222172"	262.143726	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+ACN+H"	42.033826
"1203866"	131.575501	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+ACN+2H"	43.041102
"197831"	485.19096	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+2Na-H"	44.97116
"635203"	705.30086	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+2Na-H"	44.97116
"1138707"	265.08106	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2Na-H"	44.97116
"174706"	243.099118	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+2Na"	45.978436
"613536"	353.154068	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+2Na"	45.978436
"1115696"	133.044168	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2Na"	45.978436
"1398650"	89.0318706666667	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H+2Na"	46.985712
"1432320"	267.122646	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H+HCOOH"	47.012746
"221042"	248.13214	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+3H2O+2H"	56.04448
"1510077"	281.17469	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+IsoProp+H"	61.06479
"409282"	251.086088	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+Na+K"	61.952376
"773318"	361.141038	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+Na+K"	61.952376
"1672202"	141.031138	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Na+K"	61.952376
"262005"	504.235568	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+ACN+Na"	64.015768
"1232161"	284.125668	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+ACN+Na"	64.015768
"1722506"	284.149193	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+NH4+HCOOH"	64.039293
"1185674"	96.3591846666667	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+3Na"	68.967654
"1662495"	289.104588	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Na+HCOOH"	68.994688
"160606"	517.13884	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+2K-H"	76.91904
"598463"	737.24874	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+2K-H"	76.91904
"1085043"	297.02894	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2K-H"	76.91904
"143319"	259.073058	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"2M+2K"	77.926316
"583975"	369.128008	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"3M+2K"	77.926316
"1071767"	149.018108	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2K"	77.926316
"1106070"	299.043492	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2K+H"	78.933592
"1336740"	299.131107	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+DMSO+H"	79.021207
"1007706"	303.170276	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2ACN+H"	83.060376
"1530204"	304.163908	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+IsoProp+Na+H"	84.054008
"992641"	152.088776	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+2ACN+2H"	84.067652
"1591154"	305.078528	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+K+HCOOH"	84.968628
"1422283"	335.110038	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+H+CF3COOH"	115.000138
"1151477"	172.602051	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+3ACN+2H"	125.094202
"1702122"	352.136585	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+NH4+CF3COOH"	132.026685
"1646525"	357.09198	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+Na+CF3COOH"	136.98208
"1577801"	373.06592	"C09928"	"Flossonol"	"C13H16O3"	"220.1099"	"M+K+CF3COOH"	152.95602
"808166"	602.3607	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M"	0
"976230"	583.34231	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-H2O-H"	-19.01839
"67754"	400.566524	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M-3H"	-3.021828
"508407"	601.353424	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M-3H"	-3.021828
"889487"	199.779624	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-3H"	-3.021828
"8062"	601.353424	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M-2H"	-2.014552
"446530"	902.533774	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M-2H"	-2.014552
"822145"	300.173074	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-2H"	-2.014552
"81044"	1203.714124	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M-H"	-1.007276
"519872"	1806.074824	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M-H"	-1.007276
"896213"	601.353424	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-H"	-1.007276
"51692"	1220.740671	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M-2H+NH4"	16.019271
"493439"	1823.101371	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M-2H+NH4"	16.019271
"871241"	618.379971	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-2H+NH4"	16.019271
"38048"	1225.696066	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M-2H+Na"	20.974666
"473478"	1828.056766	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M-2H+Na"	20.974666
"851038"	623.335366	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-2H+Na"	20.974666
"1623855"	623.335366	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Na-2H"	20.974666
"97103"	619.341763	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M-H+Cl"	33.962126
"541037"	920.522113	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M-H+Cl"	33.962126
"932365"	318.161413	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-H+Cl"	33.962126
"275293"	1239.690802	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+Cl"	34.969402
"660658"	1842.051502	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+Cl"	34.969402
"1279037"	637.330102	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Cl"	34.969402
"22687"	1241.670006	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M-2H+K"	36.948606
"462245"	1844.030706	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M-2H+K"	36.948606
"841140"	639.309306	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-2H+K"	36.948606
"1564628"	639.309306	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+K-2H"	36.948606
"953239"	647.358894	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-H+HCOOH"	44.998194
"365255"	1249.719601	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+HCOOH-H"	44.998201
"348405"	1263.735251	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+Hac-H"	59.013851
"1494682"	661.374551	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Hac-H"	59.013851
"960404"	669.340851	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-H+NaCOOH"	66.980151
"113329"	637.330102	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+2Cl"	69.938804
"555083"	938.510452	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+2Cl"	69.938804
"1030444"	336.149752	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2Cl"	69.938804
"1251116"	681.279585	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Br"	78.918885
"1312469"	683.335572	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Cl+HCOOH"	80.974872
"1329964"	705.317529	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Cl+NaCOOH"	102.956829
"918841"	715.346286	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M-H+CF3COOH"	112.985586
"1294454"	751.322964	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Cl+CF3COOH"	148.962264
"1378819"	567.348024	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H-2H2O"	-35.012676
"1389026"	585.358	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H-H2O"	-17.0027
"289805"	1205.728676	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+H"	1.007276
"689518"	1808.089376	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+H"	1.007276
"1359669"	603.367976	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H"	1.007276
"133654"	603.367976	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+2H"	2.014552
"578681"	904.548326	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+2H"	2.014552
"1047492"	302.187626	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2H"	2.014552
"215392"	402.581076	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+3H"	3.021828
"657141"	603.367976	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+3H"	3.021828
"1178065"	201.794176	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+3H"	3.021828
"434163"	1222.755223	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+NH4"	18.033823
"798438"	1825.115923	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+NH4"	18.033823
"1693676"	620.394523	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+NH4"	18.033823
"343046"	611.8812495	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+H+NH4"	19.041099
"737293"	913.0615995	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+H+NH4"	19.041099
"1489288"	310.7008995	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H+NH4"	19.041099
"406148"	1227.710618	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+Na"	22.989218
"767507"	1830.071318	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+Na"	22.989218
"1617062"	625.349918	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Na"	22.989218
"328802"	614.358947	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+H+Na"	23.996494
"716240"	915.539297	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+H+Na"	23.996494
"1473342"	313.178597	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H+Na"	23.996494
"1066588"	209.12149	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2H+Na"	25.00377
"1271911"	635.394186	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+CH3OH+H"	33.033486
"389397"	1243.684558	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+K"	38.963158
"746749"	1846.045258	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+K"	38.963158
"1547705"	641.323858	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+K"	38.963158
"308163"	622.345917	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+H+K"	39.970434
"700586"	923.526267	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+H+K"	39.970434
"1454406"	321.165567	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H+K"	39.970434
"246286"	1246.755226	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+ACN+H"	42.033826
"1220092"	644.394526	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+ACN+H"	42.033826
"1202879"	322.700901	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+ACN+2H"	43.041102
"197941"	1249.69256	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+2Na-H"	44.97116
"636407"	1852.05326	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+2Na-H"	44.97116
"1138817"	647.33186	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2Na-H"	44.97116
"175545"	625.349918	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+2Na"	45.978436
"614739"	926.530268	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+2Na"	45.978436
"1116297"	324.169568	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2Na"	45.978436
"1399458"	216.448804	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H+2Na"	46.985712
"1433525"	649.373446	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H+HCOOH"	47.012746
"222123"	630.38294	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+3H2O+2H"	56.04448
"1509461"	663.42549	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+IsoProp+H"	61.06479
"409515"	633.336888	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+Na+K"	61.952376
"773064"	934.517238	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+Na+K"	61.952376
"1671947"	332.156538	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Na+K"	61.952376
"262115"	1268.737168	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+ACN+Na"	64.015768
"1230814"	666.376468	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+ACN+Na"	64.015768
"1722617"	666.399993	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+NH4+HCOOH"	64.039293
"1188700"	223.776118	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+3Na"	68.967654
"1660783"	671.355388	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Na+HCOOH"	68.994688
"160716"	1281.64044	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+2K-H"	76.91904
"597196"	1884.00114	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+2K-H"	76.91904
"1084788"	679.27974	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2K-H"	76.91904
"141766"	641.323858	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"2M+2K"	77.926316
"581899"	942.504208	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"3M+2K"	77.926316
"1070054"	340.143508	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2K"	77.926316
"1102900"	681.294292	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2K+H"	78.933592
"1336243"	681.381907	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+DMSO+H"	79.021207
"1008909"	685.421076	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2ACN+H"	83.060376
"1525331"	686.414708	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+IsoProp+Na+H"	84.054008
"991536"	343.214176	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+2ACN+2H"	84.067652
"1587617"	687.329328	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+K+HCOOH"	84.968628
"1416924"	717.360838	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+H+CF3COOH"	115.000138
"1148305"	363.727451	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+3ACN+2H"	125.094202
"1698947"	734.387385	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+NH4+CF3COOH"	132.026685
"1646635"	739.34278	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+Na+CF3COOH"	136.98208
"1579004"	755.31672	"C09929"	"Garcinol"	"C38H50O6"	"602.3607"	"M+K+CF3COOH"	152.95602
"804996"	232.0736	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M"	0
"978527"	213.05521	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-H2O-H"	-19.01839
"67864"	153.708457333333	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M-3H"	-3.021828
"505237"	231.066324	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M-3H"	-3.021828
"886317"	76.3505906666667	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-3H"	-3.021828
"9266"	231.066324	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M-2H"	-2.014552
"449919"	347.103124	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M-2H"	-2.014552
"825534"	115.029524	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-2H"	-2.014552
"81515"	463.139924	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M-H"	-1.007276
"522170"	695.213524	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M-H"	-1.007276
"896569"	231.066324	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-H"	-1.007276
"48394"	480.166471	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M-2H+NH4"	16.019271
"490268"	712.240071	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M-2H+NH4"	16.019271
"868070"	248.092871	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-2H+NH4"	16.019271
"38158"	485.121866	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M-2H+Na"	20.974666
"475533"	717.195466	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M-2H+Na"	20.974666
"851148"	253.048266	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-2H+Na"	20.974666
"1621049"	253.048266	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Na-2H"	20.974666
"97213"	249.054663	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M-H+Cl"	33.962126
"541147"	365.091463	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M-H+Cl"	33.962126
"930288"	133.017863	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-H+Cl"	33.962126
"273217"	499.116602	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+Cl"	34.969402
"660648"	731.190202	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+Cl"	34.969402
"1276960"	267.043002	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Cl"	34.969402
"21703"	501.095806	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M-2H+K"	36.948606
"463448"	733.169406	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M-2H+K"	36.948606
"845623"	269.022206	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-2H+K"	36.948606
"1564737"	269.022206	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+K-2H"	36.948606
"950430"	277.071794	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-H+HCOOH"	44.998194
"363540"	509.145401	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+HCOOH-H"	44.998201
"347054"	523.161051	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+Hac-H"	59.013851
"1494791"	291.087451	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Hac-H"	59.013851
"959779"	299.053751	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-H+NaCOOH"	66.980151
"112697"	267.043002	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+2Cl"	69.938804
"550564"	383.079802	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+2Cl"	69.938804
"1022522"	151.006202	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2Cl"	69.938804
"1246844"	310.992485	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Br"	78.918885
"1307111"	313.048472	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Cl+HCOOH"	80.974872
"1322053"	335.030429	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Cl+NaCOOH"	102.956829
"922228"	345.059186	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M-H+CF3COOH"	112.985586
"1290917"	381.035864	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Cl+CF3COOH"	148.962264
"1376011"	197.060924	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H-2H2O"	-35.012676
"1389136"	215.0709	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H-H2O"	-17.0027
"289915"	465.154476	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+H"	1.007276
"688900"	697.228076	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+H"	1.007276
"1359779"	233.080876	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H"	1.007276
"133764"	233.080876	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+2H"	2.014552
"578791"	349.117676	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+2H"	2.014552
"1048695"	117.044076	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2H"	2.014552
"218418"	155.723009333333	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+3H"	3.021828
"658709"	233.080876	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+3H"	3.021828
"1178216"	78.3651426666667	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+3H"	3.021828
"436825"	482.181023	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+NH4"	18.033823
"798183"	714.254623	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+NH4"	18.033823
"1694516"	250.107423	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+NH4"	18.033823
"343158"	241.5941495	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+H+NH4"	19.041099
"735215"	357.6309495	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+H+NH4"	19.041099
"1485024"	125.5573495	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H+NH4"	19.041099
"402611"	487.136418	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+Na"	22.989218
"767254"	719.210018	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+Na"	22.989218
"1616080"	255.062818	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Na"	22.989218
"325022"	244.071847	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+H+Na"	23.996494
"713070"	360.108647	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+H+Na"	23.996494
"1469078"	128.035047	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H+Na"	23.996494
"1063417"	85.6924566666667	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2H+Na"	25.00377
"1270932"	265.107086	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+CH3OH+H"	33.033486
"385864"	503.110358	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+K"	38.963158
"748681"	735.183958	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+K"	38.963158
"1548909"	271.036758	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+K"	38.963158
"311189"	252.058817	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+H+K"	39.970434
"700695"	368.095617	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+H+K"	39.970434
"1456702"	136.022017	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H+K"	39.970434
"244209"	506.181026	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+ACN+H"	42.033826
"1223118"	274.107426	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+ACN+H"	42.033826
"1204082"	137.557351	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+ACN+2H"	43.041102
"196958"	509.11836	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+2Na-H"	44.97116
"635424"	741.19196	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+2Na-H"	44.97116
"1138927"	277.04476	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2Na-H"	44.97116
"174196"	255.062818	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+2Na"	45.978436
"614729"	371.099618	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+2Na"	45.978436
"1116772"	139.026018	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2Na"	45.978436
"1399690"	93.0197706666667	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H+2Na"	46.985712
"1431812"	279.086346	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H+HCOOH"	47.012746
"221261"	260.09584	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+3H2O+2H"	56.04448
"1508834"	293.13839	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+IsoProp+H"	61.06479
"409867"	263.049788	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+Na+K"	61.952376
"772809"	379.086588	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+Na+K"	61.952376
"1672786"	147.012988	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Na+K"	61.952376
"260038"	528.162968	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+ACN+Na"	64.015768
"1231650"	296.089368	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+ACN+Na"	64.015768
"1722726"	296.112893	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+NH4+HCOOH"	64.039293
"1185894"	100.347084666667	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+3Na"	68.967654
"1660162"	301.068288	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Na+HCOOH"	68.994688
"164472"	541.06624	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+2K-H"	76.91904
"598199"	773.13984	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+2K-H"	76.91904
"1085504"	308.99264	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2K-H"	76.91904
"143539"	271.036758	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"2M+2K"	77.926316
"582372"	387.073558	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"3M+2K"	77.926316
"1073080"	154.999958	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2K"	77.926316
"1105197"	311.007192	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2K+H"	78.933592
"1337692"	311.094807	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+DMSO+H"	79.021207
"1011205"	315.133976	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2ACN+H"	83.060376
"1526050"	316.127608	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+IsoProp+Na+H"	84.054008
"991404"	158.070626	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+2ACN+2H"	84.067652
"1587361"	317.042228	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+K+HCOOH"	84.968628
"1419221"	347.073738	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+H+CF3COOH"	115.000138
"1148415"	178.583901	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+3ACN+2H"	125.094202
"1698328"	364.100285	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+NH4+CF3COOH"	132.026685
"1646745"	369.05568	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+Na+CF3COOH"	136.98208
"1579114"	385.02962	"C09930"	"Goniothalenol;Altholactone"	"C13H12O4"	"232.0736"	"M+K+CF3COOH"	152.95602
"807293"	302.079	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M"	0
"981917"	283.06061	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-H2O-H"	-19.01839
"67974"	200.378724	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M-3H"	-3.021828
"508627"	301.071724	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M-3H"	-3.021828
"888614"	99.685724	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-3H"	-3.021828
"12656"	301.071724	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M-2H"	-2.014552
"451122"	452.111224	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M-2H"	-2.014552
"825644"	150.032224	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-2H"	-2.014552
"81261"	603.150724	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M-H"	-1.007276
"525197"	905.229724	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M-H"	-1.007276
"896803"	301.071724	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-H"	-1.007276
"48020"	620.177271	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M-2H+NH4"	16.019271
"491471"	922.256271	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M-2H+NH4"	16.019271
"871460"	318.098271	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-2H+NH4"	16.019271
"32190"	625.132666	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M-2H+Na"	20.974666
"476737"	927.211666	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M-2H+Na"	20.974666
"851258"	323.053666	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-2H+Na"	20.974666
"1620066"	323.053666	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Na-2H"	20.974666
"96230"	319.060063	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M-H+Cl"	33.962126
"539071"	470.099563	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M-H+Cl"	33.962126
"929306"	168.020563	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-H+Cl"	33.962126
"270046"	639.127402	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+Cl"	34.969402
"660227"	941.206402	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+Cl"	34.969402
"1279621"	337.048402	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Cl"	34.969402
"22907"	641.106606	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M-2H+K"	36.948606
"464652"	943.185606	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M-2H+K"	36.948606
"841360"	339.027606	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-2H+K"	36.948606
"1559380"	339.027606	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+K-2H"	36.948606
"947261"	347.077194	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-H+HCOOH"	44.998194
"364378"	649.156201	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+HCOOH-H"	44.998201
"346799"	663.171851	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+Hac-H"	59.013851
"1494172"	361.092851	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Hac-H"	59.013851
"959161"	369.059151	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-H+NaCOOH"	66.980151
"111715"	337.048402	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+2Cl"	69.938804
"550228"	488.087902	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+2Cl"	69.938804
"1021698"	186.008902	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2Cl"	69.938804
"1245133"	380.997885	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Br"	78.918885
"1307221"	383.053872	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Cl+HCOOH"	80.974872
"1323623"	405.035829	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Cl+NaCOOH"	102.956829
"922338"	415.064586	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M-H+CF3COOH"	112.985586
"1296859"	451.041264	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Cl+CF3COOH"	148.962264
"1378308"	267.066324	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H-2H2O"	-35.012676
"1394713"	285.0763	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H-H2O"	-17.0027
"292212"	605.165276	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+H"	1.007276
"680259"	907.244276	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+H"	1.007276
"1359889"	303.086276	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H"	1.007276
"133874"	303.086276	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+2H"	2.014552
"578901"	454.125776	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+2H"	2.014552
"1047711"	152.046776	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2H"	2.014552
"219258"	202.393276	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+3H"	3.021828
"659064"	303.086276	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+3H"	3.021828
"1177876"	101.700276	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+3H"	3.021828
"439532"	622.191823	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+NH4"	18.033823
"797564"	924.270823	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+NH4"	18.033823
"1692800"	320.112823	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+NH4"	18.033823
"343995"	311.5995495	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+H+NH4"	19.041099
"731314"	462.6390495	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+H+NH4"	19.041099
"1484041"	160.5600495	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H+NH4"	19.041099
"402721"	627.147218	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+Na"	22.989218
"767727"	929.226218	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+Na"	22.989218
"1616555"	325.068218	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Na"	22.989218
"326226"	314.077247	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+H+Na"	23.996494
"716460"	465.116747	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+H+Na"	23.996494
"1475750"	163.037747	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H+Na"	23.996494
"1065717"	109.02759	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2H+Na"	25.00377
"1264848"	335.112486	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+CH3OH+H"	33.033486
"388158"	643.121158	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+K"	38.963158
"747697"	945.200158	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+K"	38.963158
"1549019"	341.042158	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+K"	38.963158
"307289"	322.064217	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+H+K"	39.970434
"700805"	473.103717	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+H+K"	39.970434
"1454626"	171.024717	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H+K"	39.970434
"244319"	646.191826	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+ACN+H"	42.033826
"1218122"	344.112826	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+ACN+H"	42.033826
"1202004"	172.560051	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+ACN+2H"	43.041102
"198161"	649.12916	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+2Na-H"	44.97116
"636626"	951.20816	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+2Na-H"	44.97116
"1140132"	347.05016	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2Na-H"	44.97116
"175035"	325.068218	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+2Na"	45.978436
"615690"	476.107718	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+2Na"	45.978436
"1117612"	174.028718	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2Na"	45.978436
"1400285"	116.354904	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H+2Na"	46.985712
"1431922"	349.091746	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H+HCOOH"	47.012746
"221983"	330.10124	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+3H2O+2H"	56.04448
"1510043"	363.14379	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+IsoProp+H"	61.06479
"409487"	333.055188	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+Na+K"	61.952376
"773648"	484.094688	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+Na+K"	61.952376
"1668155"	182.015688	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Na+K"	61.952376
"256867"	668.173768	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+ACN+Na"	64.015768
"1228844"	366.094768	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+ACN+Na"	64.015768
"1722836"	366.118293	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+NH4+HCOOH"	64.039293
"1183088"	123.682218	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+3Na"	68.967654
"1659178"	371.073688	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Na+HCOOH"	68.994688
"164946"	681.07704	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+2K-H"	76.91904
"599279"	983.15604	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+2K-H"	76.91904
"1085372"	378.99804	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2K-H"	76.91904
"143649"	341.042158	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"2M+2K"	77.926316
"582235"	492.081658	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"3M+2K"	77.926316
"1070395"	190.002658	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2K"	77.926316
"1105307"	381.012592	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2K+H"	78.933592
"1336950"	381.100207	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+DMSO+H"	79.021207
"1014595"	385.139376	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2ACN+H"	83.060376
"1524817"	386.133008	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+IsoProp+Na+H"	84.054008
"991634"	193.073326	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+2ACN+2H"	84.067652
"1591484"	387.047628	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+K+HCOOH"	84.968628
"1419331"	417.079138	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+H+CF3COOH"	115.000138
"1148889"	213.586601	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+3ACN+2H"	125.094202
"1697587"	434.105685	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+NH4+CF3COOH"	132.026685
"1643575"	439.06108	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+Na+CF3COOH"	136.98208
"1579224"	455.03502	"C09931"	"Haematoxylin;Natural Black 1;CI 75290"	"C16H14O6"	"302.079"	"M+K+CF3COOH"	152.95602
"808496"	642.1949	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M"	0
"979840"	623.17651	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-H2O-H"	-19.01839
"68084"	427.122657333333	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M-3H"	-3.021828
"509830"	641.187624	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M-3H"	-3.021828
"888724"	213.057690666667	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-3H"	-3.021828
"8392"	641.187624	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M-2H"	-2.014552
"447952"	962.285074	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M-2H"	-2.014552
"823568"	320.090174	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-2H"	-2.014552
"85748"	1283.382524	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M-H"	-1.007276
"524215"	1925.577424	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M-H"	-1.007276
"898737"	641.187624	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-H"	-1.007276
"47206"	1300.409071	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M-2H+NH4"	16.019271
"490488"	1942.603971	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M-2H+NH4"	16.019271
"871570"	658.214171	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-2H+NH4"	16.019271
"34002"	1305.364466	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M-2H+Na"	20.974666
"477941"	1947.559366	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M-2H+Na"	20.974666
"856835"	663.169566	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-2H+Na"	20.974666
"1621999"	663.169566	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Na-2H"	20.974666
"97068"	659.175963	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M-H+Cl"	33.962126
"538087"	980.273413	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M-H+Cl"	33.962126
"931603"	338.078513	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-H+Cl"	33.962126
"271250"	1319.359202	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+Cl"	34.969402
"662943"	1961.554102	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+Cl"	34.969402
"1279367"	677.164302	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Cl"	34.969402
"23017"	1321.338406	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M-2H+K"	36.948606
"463669"	1963.533306	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M-2H+K"	36.948606
"838190"	679.143506	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-2H+K"	36.948606
"1559490"	679.143506	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+K-2H"	36.948606
"946278"	687.193094	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-H+HCOOH"	44.998194
"364488"	1329.388001	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+HCOOH-H"	44.998201
"345977"	1343.403651	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+Hac-H"	59.013851
"1493025"	701.208751	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Hac-H"	59.013851
"959030"	709.175051	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-H+NaCOOH"	66.980151
"112921"	677.164302	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+2Cl"	69.938804
"550203"	998.261752	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+2Cl"	69.938804
"1021356"	356.066852	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2Cl"	69.938804
"1241376"	721.113785	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Br"	78.918885
"1306961"	723.169772	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Cl+HCOOH"	80.974872
"1321536"	745.151729	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Cl+NaCOOH"	102.956829
"922448"	755.180486	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M-H+CF3COOH"	112.985586
"1296969"	791.157164	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Cl+CF3COOH"	148.962264
"1369671"	607.182224	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H-2H2O"	-35.012676
"1386072"	625.1922	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H-H2O"	-17.0027
"290133"	1285.397076	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+H"	1.007276
"678182"	1927.591976	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+H"	1.007276
"1357812"	643.202176	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H"	1.007276
"136171"	643.202176	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+2H"	2.014552
"576825"	964.299626	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+2H"	2.014552
"1045634"	322.104726	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2H"	2.014552
"215722"	429.137209333333	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+3H"	3.021828
"659748"	643.202176	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+3H"	3.021828
"1177299"	215.072242666667	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+3H"	3.021828
"438869"	1302.423623	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+NH4"	18.033823
"795487"	1944.618523	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+NH4"	18.033823
"1692910"	660.228723	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+NH4"	18.033823
"342283"	651.7154495	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+H+NH4"	19.041099
"732518"	972.8128995	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+H+NH4"	19.041099
"1484151"	330.6179995	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H+NH4"	19.041099
"398457"	1307.379018	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+Na"	22.989218
"761639"	1949.573918	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+Na"	22.989218
"1603052"	665.184118	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Na"	22.989218
"315276"	654.193147	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+H+Na"	23.996494
"716570"	975.290597	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+H+Na"	23.996494
"1473672"	333.095697	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H+Na"	23.996494
"1065099"	222.399556666667	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2H+Na"	25.00377
"1268600"	675.228386	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+CH3OH+H"	33.033486
"388265"	1323.352958	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+K"	38.963158
"744888"	1965.547858	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+K"	38.963158
"1549130"	681.158058	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+K"	38.963158
"306305"	662.180117	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+H+K"	39.970434
"702738"	983.277567	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+H+K"	39.970434
"1455829"	341.082667	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H+K"	39.970434
"241149"	1326.423626	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+ACN+H"	42.033826
"1218232"	684.228726	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+ACN+H"	42.033826
"1201021"	342.618001	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+ACN+2H"	43.041102
"198269"	1329.36096	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+2Na-H"	44.97116
"637830"	1971.55586	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+2Na-H"	44.97116
"1140239"	687.16606	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2Na-H"	44.97116
"173322"	665.184118	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+2Na"	45.978436
"614345"	986.281568	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+2Na"	45.978436
"1117115"	344.086668	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2Na"	45.978436
"1399549"	229.726870666667	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H+2Na"	46.985712
"1431668"	689.207646	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H+HCOOH"	47.012746
"222094"	670.21714	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+3H2O+2H"	56.04448
"1510520"	703.25969	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+IsoProp+H"	61.06479
"408992"	673.171088	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+Na+K"	61.952376
"771936"	994.268538	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+Na+K"	61.952376
"1668996"	352.073638	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Na+K"	61.952376
"255884"	1348.405568	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+ACN+Na"	64.015768
"1226038"	706.210668	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+ACN+Na"	64.015768
"1719666"	706.234193	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+NH4+HCOOH"	64.039293
"1182834"	237.054184666667	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+3Na"	68.967654
"1659288"	711.189588	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Na+HCOOH"	68.994688
"165056"	1361.30884	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+2K-H"	76.91904
"598175"	2003.50374	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+2K-H"	76.91904
"1088037"	719.11394	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2K-H"	76.91904
"145947"	681.158058	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"2M+2K"	77.926316
"582588"	1002.255508	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"3M+2K"	77.926316
"1069287"	360.060608	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2K"	77.926316
"1105416"	721.128492	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2K+H"	78.933592
"1336204"	721.216107	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+DMSO+H"	79.021207
"1013612"	725.255276	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2ACN+H"	83.060376
"1524170"	726.248908	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+IsoProp+Na+H"	84.054008
"990890"	363.131276	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+2ACN+2H"	84.067652
"1594874"	727.163528	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+K+HCOOH"	84.968628
"1421628"	757.195038	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+H+CF3COOH"	115.000138
"1149729"	383.644551	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+3ACN+2H"	125.094202
"1699281"	774.221585	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+NH4+CF3COOH"	132.026685
"1640405"	779.17698	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+Na+CF3COOH"	136.98208
"1579334"	795.15092	"C09932"	"Haemocorin"	"C32H34O14"	"642.1949"	"M+K+CF3COOH"	152.95602
"810793"	207.0895	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M"	0
"985417"	188.07111	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-H2O-H"	-19.01839
"69287"	137.052390666667	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M-3H"	-3.021828
"515407"	206.082224	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M-3H"	-3.021828
"892114"	68.0225573333333	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-3H"	-3.021828
"11783"	206.082224	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M-2H"	-2.014552
"448062"	309.626974	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M-2H"	-2.014552
"825865"	102.537474	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-2H"	-2.014552
"83671"	413.171724	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M-H"	-1.007276
"524325"	620.261224	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M-H"	-1.007276
"897022"	206.082224	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-H"	-1.007276
"51036"	430.198271	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M-2H+NH4"	16.019271
"492783"	637.287771	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M-2H+NH4"	16.019271
"871680"	223.108771	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-2H+NH4"	16.019271
"34112"	435.153666	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M-2H+Na"	20.974666
"479146"	642.243166	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M-2H+Na"	20.974666
"854760"	228.064166	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-2H+Na"	20.974666
"1627577"	228.064166	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Na-2H"	20.974666
"100460"	224.070563	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M-H+Cl"	33.962126
"542573"	327.615313	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M-H+Cl"	33.962126
"937181"	120.525813	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-H+Cl"	33.962126
"276831"	449.148402	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+Cl"	34.969402
"666335"	656.237902	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+Cl"	34.969402
"1282757"	242.058902	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Cl"	34.969402
"24221"	451.127606	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M-2H+K"	36.948606
"462686"	658.217106	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M-2H+K"	36.948606
"841581"	244.038106	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-2H+K"	36.948606
"1562881"	244.038106	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+K-2H"	36.948606
"946023"	252.087694	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-H+HCOOH"	44.998194
"365328"	459.177201	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+HCOOH-H"	44.998201
"348480"	473.192851	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+Hac-H"	59.013851
"1498770"	266.103351	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Hac-H"	59.013851
"962301"	274.069651	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-H+NaCOOH"	66.980151
"114856"	242.058902	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+2Cl"	69.938804
"556602"	345.603652	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+2Cl"	69.938804
"1025400"	138.514152	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2Cl"	69.938804
"1242431"	286.008385	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Br"	78.918885
"1307071"	288.064372	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Cl+HCOOH"	80.974872
"1322379"	310.046329	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Cl+NaCOOH"	102.956829
"916357"	320.075086	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M-H+CF3COOH"	112.985586
"1300359"	356.051764	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Cl+CF3COOH"	148.962264
"1378528"	172.076824	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H-2H2O"	-35.012676
"1386182"	190.0868	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H-H2O"	-17.0027
"290243"	415.186276	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+H"	1.007276
"683759"	622.275776	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+H"	1.007276
"1356829"	208.096776	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H"	1.007276
"135188"	208.096776	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+2H"	2.014552
"579122"	311.641526	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+2H"	2.014552
"1047931"	104.552026	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2H"	2.014552
"219112"	139.066942666667	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+3H"	3.021828
"659531"	208.096776	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+3H"	3.021828
"1177653"	70.0371093333333	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+3H"	3.021828
"438978"	432.212823	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+NH4"	18.033823
"792317"	639.302323	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+NH4"	18.033823
"1693020"	225.123323	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+NH4"	18.033823
"342394"	216.6100495	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+H+NH4"	19.041099
"732628"	320.1547995	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+H+NH4"	19.041099
"1486448"	113.0652995	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H+NH4"	19.041099
"398567"	437.168218	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+Na"	22.989218
"760656"	644.257718	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+Na"	22.989218
"1606566"	230.078718	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Na"	22.989218
"319883"	219.087747	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+H+Na"	23.996494
"717774"	322.632497	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+H+Na"	23.996494
"1472690"	115.542997	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H+Na"	23.996494
"1061566"	77.3644233333333	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2H+Na"	25.00377
"1265432"	240.122986	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+CH3OH+H"	33.033486
"388376"	453.142158	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+K"	38.963158
"744999"	660.231658	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+K"	38.963158
"1550335"	246.052658	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+K"	38.963158
"308602"	227.074717	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+H+K"	39.970434
"702120"	330.619467	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+H+K"	39.970434
"1454846"	123.529967	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H+K"	39.970434
"243446"	456.212826	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+ACN+H"	42.033826
"1219436"	249.123326	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+ACN+H"	42.033826
"1204412"	125.065301	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+ACN+2H"	43.041102
"200930"	459.15016	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+2Na-H"	44.97116
"639763"	666.23966	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+2Na-H"	44.97116
"1139256"	252.06066	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2Na-H"	44.97116
"182547"	230.078718	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+2Na"	45.978436
"614819"	333.623468	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+2Na"	45.978436
"1117595"	126.533968	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2Na"	45.978436
"1401848"	84.6917373333333	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H+2Na"	46.985712
"1435061"	254.102246	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H+HCOOH"	47.012746
"222203"	235.11174	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+3H2O+2H"	56.04448
"1510994"	268.15429	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+IsoProp+H"	61.06479
"409224"	238.065688	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+Na+K"	61.952376
"770374"	341.610438	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+Na+K"	61.952376
"1668014"	134.520938	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Na+K"	61.952376
"253075"	478.194768	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+ACN+Na"	64.015768
"1225902"	271.105268	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+ACN+Na"	64.015768
"1714306"	271.128793	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+NH4+HCOOH"	64.039293
"1178496"	92.0190513333333	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+3Na"	68.967654
"1650890"	276.084188	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Na+HCOOH"	68.994688
"157300"	491.09804	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+2K-H"	76.91904
"597433"	698.18754	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+2K-H"	76.91904
"1085473"	284.00854	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2K-H"	76.91904
"141450"	246.052658	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"2M+2K"	77.926316
"581843"	349.597408	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"3M+2K"	77.926316
"1068661"	142.507908	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2K"	77.926316
"1102246"	286.023092	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2K+H"	78.933592
"1335668"	286.110707	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+DMSO+H"	79.021207
"1006674"	290.149876	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2ACN+H"	83.060376
"1524283"	291.143508	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+IsoProp+Na+H"	84.054008
"990147"	145.578576	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+2ACN+2H"	84.067652
"1590611"	292.058128	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+K+HCOOH"	84.968628
"1421738"	322.089638	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+H+CF3COOH"	115.000138
"1152026"	166.091851	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+3ACN+2H"	125.094202
"1699391"	339.116185	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+NH4+CF3COOH"	132.026685
"1641608"	344.07158	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+Na+CF3COOH"	136.98208
"1579444"	360.04552	"C09933"	"Cantleyine"	"C11H13NO3"	"207.0895"	"M+K+CF3COOH"	152.95602
"816007"	865.3157	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M"	0
"982248"	846.29731	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-H2O-H"	-19.01839
"71584"	575.869857333333	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M-3H"	-3.021828
"508958"	864.308424	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M-3H"	-3.021828
"892225"	287.431290666667	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-3H"	-3.021828
"10800"	864.308424	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M-2H"	-2.014552
"445985"	1296.966274	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M-2H"	-2.014552
"824882"	431.650574	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-2H"	-2.014552
"84874"	1729.624124	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M-H"	-1.007276
"526621"	2594.939824	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M-H"	-1.007276
"900049"	864.308424	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-H"	-1.007276
"54426"	1746.650671	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M-2H+NH4"	16.019271
"492893"	2611.966371	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M-2H+NH4"	16.019271
"870696"	881.334971	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-2H+NH4"	16.019271
"41879"	1751.606066	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M-2H+Na"	20.974666
"482535"	2616.921766	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M-2H+Na"	20.974666
"862522"	886.290366	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-2H+Na"	20.974666
"1628780"	886.290366	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Na-2H"	20.974666
"102029"	882.296763	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M-H+Cl"	33.962126
"543775"	1314.954613	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M-H+Cl"	33.962126
"938384"	449.638913	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-H+Cl"	33.962126
"278033"	1765.600802	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+Cl"	34.969402
"663892"	2630.916502	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+Cl"	34.969402
"1278494"	900.285102	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Cl"	34.969402
"19957"	1767.580006	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M-2H+K"	36.948606
"461703"	2632.895706	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M-2H+K"	36.948606
"839504"	902.264306	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-2H+K"	36.948606
"1560804"	902.264306	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+K-2H"	36.948606
"946498"	910.313894	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-H+HCOOH"	44.998194
"363979"	1775.629601	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+HCOOH-H"	44.998201
"348590"	1789.645251	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+Hac-H"	59.013851
"1497056"	924.329551	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Hac-H"	59.013851
"960224"	932.295851	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-H+NaCOOH"	66.980151
"113142"	900.285102	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+2Cl"	69.938804
"555254"	1332.942952	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+2Cl"	69.938804
"1025874"	467.627252	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2Cl"	69.938804
"1242538"	944.234585	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Br"	78.918885
"1307913"	946.290572	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Cl+HCOOH"	80.974872
"1324315"	968.272529	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Cl+NaCOOH"	102.956829
"919384"	978.301286	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M-H+CF3COOH"	112.985586
"1297188"	1014.277964	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Cl+CF3COOH"	148.962264
"1376445"	830.303024	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H-2H2O"	-35.012676
"1389572"	848.313	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H-H2O"	-17.0027
"290352"	1731.638676	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+H"	1.007276
"683869"	2596.954376	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+H"	1.007276
"1356939"	866.322976	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H"	1.007276
"138217"	866.322976	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+2H"	2.014552
"575952"	1298.980826	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+2H"	2.014552
"1051566"	433.665126	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2H"	2.014552
"218858"	577.884409333333	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+3H"	3.021828
"658787"	866.322976	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+3H"	3.021828
"1177516"	289.445842666667	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+3H"	3.021828
"436899"	1748.665223	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+NH4"	18.033823
"793520"	2613.980923	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+NH4"	18.033823
"1693130"	883.349523	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+NH4"	18.033823
"340316"	874.8362495	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+H+NH4"	19.041099
"731645"	1307.4940995	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+H+NH4"	19.041099
"1484371"	442.1783995	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H+NH4"	19.041099
"395761"	1753.620618	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+Na"	22.989218
"759673"	2618.936318	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+Na"	22.989218
"1607770"	888.304918	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Na"	22.989218
"322180"	877.313947	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+H+Na"	23.996494
"714604"	1309.971797	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+H+Na"	23.996494
"1470612"	444.656097	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H+Na"	23.996494
"1058395"	296.773156666667	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2H+Na"	25.00377
"1264448"	898.349186	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+CH3OH+H"	33.033486
"384115"	1769.594558	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+K"	38.963158
"745109"	2634.910258	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+K"	38.963158
"1549349"	904.278858	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+K"	38.963158
"306888"	885.300917	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+H+K"	39.970434
"703320"	1317.958767	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+H+K"	39.970434
"1454593"	452.643067	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H+K"	39.970434
"247202"	1772.665226	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+ACN+H"	42.033826
"1218451"	907.349526	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+ACN+H"	42.033826
"1203428"	454.178401	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+ACN+2H"	43.041102
"199582"	1775.60256	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+2Na-H"	44.97116
"639144"	2640.91826	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+2Na-H"	44.97116
"1139366"	910.28686	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2Na-H"	44.97116
"185937"	888.304918	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+2Na"	45.978436
"615659"	1320.962768	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+2Na"	45.978436
"1123537"	455.647068	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2Na"	45.978436
"1407062"	304.100470666667	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H+2Na"	46.985712
"1432981"	912.328446	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H+HCOOH"	47.012746
"223769"	893.33794	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+3H2O+2H"	56.04448
"1510009"	926.38049	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+IsoProp+H"	61.06479
"410060"	896.291888	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+Na+K"	61.952376
"770693"	1328.949738	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+Na+K"	61.952376
"1667755"	463.634038	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Na+K"	61.952376
"255737"	1794.647168	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+ACN+Na"	64.015768
"1226129"	929.331468	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+ACN+Na"	64.015768
"1715146"	929.354993	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+NH4+HCOOH"	64.039293
"1181229"	311.427784666667	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+3Na"	68.967654
"1651122"	934.310388	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Na+HCOOH"	68.994688
"157617"	1807.55044	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+2K-H"	76.91904
"597258"	2672.86614	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+2K-H"	76.91904
"1085583"	942.23474	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2K-H"	76.91904
"141905"	904.278858	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"2M+2K"	77.926316
"581753"	1336.936708	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"3M+2K"	77.926316
"1069019"	471.621008	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2K"	77.926316
"1104543"	944.249292	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2K+H"	78.933592
"1339834"	944.336907	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+DMSO+H"	79.021207
"1007514"	948.376076	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2ACN+H"	83.060376
"1524408"	949.369708	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+IsoProp+Na+H"	84.054008
"992087"	474.691676	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+2ACN+2H"	84.067652
"1592910"	950.284328	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+K+HCOOH"	84.968628
"1424035"	980.315838	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+H+CF3COOH"	115.000138
"1158697"	495.204951	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+3ACN+2H"	125.094202
"1706062"	997.342385	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+NH4+CF3COOH"	132.026685
"1641718"	1002.29778	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+Na+CF3COOH"	136.98208
"1579554"	1018.27172	"C09934"	"Cassinine"	"C44H51NO17"	"865.3157"	"M+K+CF3COOH"	152.95602
"807733"	700.2632	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M"	0
"976157"	681.24481	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-H2O-H"	-19.01839
"68414"	465.834857333333	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M-3H"	-3.021828
"509068"	699.255924	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M-3H"	-3.021828
"887960"	232.413790666667	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-3H"	-3.021828
"5443"	699.255924	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M-2H"	-2.014552
"445002"	1049.387524	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M-2H"	-2.014552
"821711"	349.124324	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-2H"	-2.014552
"84984"	1399.519124	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M-H"	-1.007276
"523451"	2099.782324	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M-H"	-1.007276
"897972"	699.255924	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-H"	-1.007276
"52349"	1416.545671	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M-2H+NH4"	16.019271
"490816"	2116.808871	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M-2H+NH4"	16.019271
"870806"	716.282471	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-2H+NH4"	16.019271
"44175"	1421.501066	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M-2H+Na"	20.974666
"476081"	2121.764266	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M-2H+Na"	20.974666
"863726"	721.237866	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-2H+Na"	20.974666
"1628890"	721.237866	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Na-2H"	20.974666
"102138"	717.244263	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M-H+Cl"	33.962126
"542791"	1067.375863	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M-H+Cl"	33.962126
"939587"	367.112663	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-H+Cl"	33.962126
"280329"	1435.495802	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+Cl"	34.969402
"664002"	2135.759002	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+Cl"	34.969402
"1286259"	735.232602	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Cl"	34.969402
"22254"	1437.475006	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M-2H+K"	36.948606
"467281"	2137.738206	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M-2H+K"	36.948606
"841802"	737.211806	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-2H+K"	36.948606
"1560915"	737.211806	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+K-2H"	36.948606
"949889"	745.261394	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-H+HCOOH"	44.998194
"367009"	1445.524601	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+HCOOH-H"	44.998201
"346153"	1459.540251	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+Hac-H"	59.013851
"1495346"	759.277051	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Hac-H"	59.013851
"961061"	767.243351	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-H+NaCOOH"	66.980151
"112157"	735.232602	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+2Cl"	69.938804
"555364"	1085.364202	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+2Cl"	69.938804
"1026351"	385.101002	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2Cl"	69.938804
"1241629"	779.182085	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Br"	78.918885
"1307659"	781.238072	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Cl+HCOOH"	80.974872
"1320415"	803.220029	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Cl+NaCOOH"	102.956829
"912568"	813.248786	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M-H+CF3COOH"	112.985586
"1294018"	849.225464	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Cl+CF3COOH"	148.962264
"1373275"	665.250524	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H-2H2O"	-35.012676
"1389682"	683.2605	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H-H2O"	-17.0027
"293742"	1401.533676	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+H"	1.007276
"687989"	2101.796876	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+H"	1.007276
"1365433"	701.270476	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H"	1.007276
"139426"	701.270476	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+2H"	2.014552
"580437"	1051.402076	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+2H"	2.014552
"1049243"	351.138876	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2H"	2.014552
"216051"	467.849409333333	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+3H"	3.021828
"659942"	701.270476	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+3H"	3.021828
"1178317"	234.428342666667	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+3H"	3.021828
"439197"	1418.560223	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+NH4"	18.033823
"800191"	2118.823423	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+NH4"	18.033823
"1695064"	718.297023	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+NH4"	18.033823
"343706"	709.7837495	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+H+NH4"	19.041099
"733941"	1059.9153495	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+H+NH4"	19.041099
"1487761"	359.6521495	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H+NH4"	19.041099
"404254"	1423.515618	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+Na"	22.989218
"766343"	2123.778818	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+Na"	22.989218
"1611161"	723.252418	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Na"	22.989218
"323383"	712.261447	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+H+Na"	23.996494
"717995"	1062.393047	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+H+Na"	23.996494
"1470726"	362.129847	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H+Na"	23.996494
"1065070"	241.755656666667	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2H+Na"	25.00377
"1267841"	733.296686	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+CH3OH+H"	33.033486
"387508"	1439.489558	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+K"	38.963158
"748501"	2139.752758	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+K"	38.963158
"1551646"	739.226358	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+K"	38.963158
"307728"	720.248417	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+H+K"	39.970434
"703430"	1070.380017	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+H+K"	39.970434
"1457253"	370.116817	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H+K"	39.970434
"248771"	1442.560226	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+ACN+H"	42.033826
"1221842"	742.297026	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+ACN+H"	42.033826
"1203538"	371.652151	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+ACN+2H"	43.041102
"200784"	1445.49756	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+2Na-H"	44.97116
"642169"	2145.76076	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+2Na-H"	44.97116
"1139476"	745.23436	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2Na-H"	44.97116
"184953"	723.252418	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+2Na"	45.978436
"621236"	1073.384018	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+2Na"	45.978436
"1126928"	373.120818	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2Na"	45.978436
"1404621"	249.082970666667	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H+2Na"	46.985712
"1431632"	747.275946	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H+HCOOH"	47.012746
"224611"	728.28544	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+3H2O+2H"	56.04448
"1514129"	761.32799	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+IsoProp+H"	61.06479
"412727"	731.239388	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+Na+K"	61.952376
"775548"	1081.370988	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+Na+K"	61.952376
"1672972"	381.107788	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Na+K"	61.952376
"256943"	1464.542168	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+ACN+Na"	64.015768
"1234756"	764.278968	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+ACN+Na"	64.015768
"1717813"	764.302493	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+NH4+HCOOH"	64.039293
"1187538"	256.410284666667	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+3Na"	68.967654
"1659255"	769.257888	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Na+HCOOH"	68.994688
"165386"	1477.44544	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+2K-H"	76.91904
"602032"	2177.70864	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+2K-H"	76.91904
"1090556"	777.18224	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2K-H"	76.91904
"149194"	739.226358	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"2M+2K"	77.926316
"585838"	1089.357958	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"3M+2K"	77.926316
"1072537"	389.094758	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2K"	77.926316
"1105747"	779.196792	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2K+H"	78.933592
"1346870"	779.284407	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+DMSO+H"	79.021207
"1012848"	783.323576	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2ACN+H"	83.060376
"1530974"	784.317208	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+IsoProp+Na+H"	84.054008
"997422"	392.165426	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+2ACN+2H"	84.067652
"1596299"	785.231828	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+K+HCOOH"	84.968628
"1423052"	815.263338	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+H+CF3COOH"	115.000138
"1157714"	412.678701	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+3ACN+2H"	125.094202
"1705079"	832.289885	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+NH4+CF3COOH"	132.026685
"1645108"	837.24528	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+Na+CF3COOH"	136.98208
"1579664"	853.21922	"C09935"	"Catheduline E2"	"C38H40N2O11"	"700.2632"	"M+K+CF3COOH"	152.95602
"816108"	258.1256	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M"	0
"985749"	239.10721	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-H2O-H"	-19.01839
"71805"	171.076457333333	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M-3H"	-3.021828
"511366"	257.118324	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M-3H"	-3.021828
"886978"	85.0345906666667	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-3H"	-3.021828
"7740"	257.118324	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M-2H"	-2.014552
"445112"	386.181124	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M-2H"	-2.014552
"818661"	128.055524	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-2H"	-2.014552
"81083"	515.243924	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M-H"	-1.007276
"523561"	773.369524	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M-H"	-1.007276
"896991"	257.118324	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-H"	-1.007276
"49179"	532.270471	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M-2H+NH4"	16.019271
"489833"	790.396071	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M-2H+NH4"	16.019271
"870916"	274.144871	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-2H+NH4"	16.019271
"45379"	537.225866	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M-2H+Na"	20.974666
"475098"	795.351466	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M-2H+Na"	20.974666
"858367"	279.100266	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-2H+Na"	20.974666
"1631188"	279.100266	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Na-2H"	20.974666
"106622"	275.106663	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M-H+Cl"	33.962126
"542901"	404.169463	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M-H+Cl"	33.962126
"936415"	146.043863	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-H+Cl"	33.962126
"278252"	551.220602	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+Cl"	34.969402
"663018"	809.346202	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+Cl"	34.969402
"1286734"	293.095002	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Cl"	34.969402
"28925"	553.199806	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M-2H+K"	36.948606
"469578"	811.325406	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M-2H+K"	36.948606
"844099"	295.074206	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-2H+K"	36.948606
"1558839"	295.074206	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+K-2H"	36.948606
"945261"	303.123794	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-H+HCOOH"	44.998194
"363111"	561.249401	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+HCOOH-H"	44.998201
"347358"	575.265051	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+Hac-H"	59.013851
"1494363"	317.139451	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Hac-H"	59.013851
"960083"	325.105751	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-H+NaCOOH"	66.980151
"112997"	293.095002	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+2Cl"	69.938804
"554016"	422.157802	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+2Cl"	69.938804
"1026827"	164.032202	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2Cl"	69.938804
"1241459"	337.044485	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Br"	78.918885
"1307769"	339.100472	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Cl+HCOOH"	80.974872
"1320525"	361.082429	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Cl+NaCOOH"	102.956829
"913407"	371.111186	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M-H+CF3COOH"	112.985586
"1297410"	407.087864	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Cl+CF3COOH"	148.962264
"1373385"	223.112924	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H-2H2O"	-35.012676
"1389792"	241.1229	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H-H2O"	-17.0027
"291664"	517.258476	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+H"	1.007276
"688464"	775.384076	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+H"	1.007276
"1362624"	259.132876	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H"	1.007276
"139171"	259.132876	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+2H"	2.014552
"579091"	388.195676	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+2H"	2.014552
"1051913"	130.070076	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2H"	2.014552
"218355"	173.091009333333	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+3H"	3.021828
"658280"	259.132876	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+3H"	3.021828
"1175315"	87.0491426666667	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+3H"	3.021828
"439070"	534.285023	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+NH4"	18.033823
"799939"	792.410623	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+NH4"	18.033823
"1691529"	276.159423	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+NH4"	18.033823
"343817"	267.6461495	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+H+NH4"	19.041099
"736968"	396.7089495	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+H+NH4"	19.041099
"1487871"	138.5833495	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H+NH4"	19.041099
"406188"	539.240418	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+Na"	22.989218
"768642"	797.366018	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+Na"	22.989218
"1617469"	281.114818	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Na"	22.989218
"327505"	270.123847	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+H+Na"	23.996494
"718105"	399.186647	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+H+Na"	23.996494
"1470836"	141.061047	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H+Na"	23.996494
"1068093"	94.3764566666667	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2H+Na"	25.00377
"1271961"	291.159086	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+CH3OH+H"	33.033486
"391992"	555.214358	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+K"	38.963158
"751890"	813.339958	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+K"	38.963158
"1550663"	297.088758	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+K"	38.963158
"310024"	278.110817	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+H+K"	39.970434
"702447"	407.173617	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+H+K"	39.970434
"1457364"	149.048017	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H+K"	39.970434
"249245"	558.285026	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+ACN+H"	42.033826
"1221952"	300.159426	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+ACN+H"	42.033826
"1203648"	150.583351	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+ACN+2H"	43.041102
"200894"	561.22236	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+2Na-H"	44.97116
"643617"	819.34796	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+2Na-H"	44.97116
"1146716"	303.09676	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2Na-H"	44.97116
"185063"	281.114818	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+2Na"	45.978436
"622439"	410.177618	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+2Na"	45.978436
"1122664"	152.052018	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2Na"	45.978436
"1403273"	101.703770666667	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H+2Na"	46.985712
"1438306"	305.138346	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H+HCOOH"	47.012746
"225086"	286.14784	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+3H2O+2H"	56.04448
"1514242"	319.19039	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+IsoProp+H"	61.06479
"409552"	289.101788	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+Na+K"	61.952376
"774564"	418.164588	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+Na+K"	61.952376
"1674176"	160.038988	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Na+K"	61.952376
"259605"	580.266968	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+ACN+Na"	64.015768
"1234501"	322.141368	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+ACN+Na"	64.015768
"1724482"	322.164893	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+NH4+HCOOH"	64.039293
"1190929"	109.031084666667	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+3Na"	68.967654
"1661919"	327.120288	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Na+HCOOH"	68.994688
"168777"	593.17024	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+2K-H"	76.91904
"607246"	851.29584	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+2K-H"	76.91904
"1093948"	335.04464	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2K-H"	76.91904
"150764"	297.088758	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"2M+2K"	77.926316
"589230"	426.151558	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"3M+2K"	77.926316
"1078115"	168.025958	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2K"	77.926316
"1110231"	337.059192	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2K+H"	78.933592
"1349531"	337.146807	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+DMSO+H"	79.021207
"1015148"	341.185976	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2ACN+H"	83.060376
"1534366"	342.179608	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+IsoProp+Na+H"	84.054008
"999720"	171.096626	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+2ACN+2H"	84.067652
"1599327"	343.094228	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+K+HCOOH"	84.968628
"1427537"	373.125738	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+H+CF3COOH"	115.000138
"1156731"	191.609901	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+3ACN+2H"	125.094202
"1699721"	390.152285	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+NH4+CF3COOH"	132.026685
"1645218"	395.10768	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+Na+CF3COOH"	136.98208
"1579774"	411.08162	"C09936"	"Heritonin"	"C16H18O3"	"258.1256"	"M+K+CF3COOH"	152.95602
"809046"	569.2261	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M"	0
"979298"	550.20771	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-H2O-H"	-19.01839
"68635"	378.476790666667	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M-3H"	-3.021828
"509290"	568.218824	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M-3H"	-3.021828
"881620"	188.734757333333	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-3H"	-3.021828
"558"	568.218824	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M-2H"	-2.014552
"440398"	852.831874	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M-2H"	-2.014552
"818041"	283.605774	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-2H"	-2.014552
"80221"	1137.444924	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M-H"	-1.007276
"520023"	1706.671024	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M-H"	-1.007276
"898558"	568.218824	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-H"	-1.007276
"49289"	1154.471471	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M-2H+NH4"	16.019271
"489943"	1723.697571	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M-2H+NH4"	16.019271
"871026"	585.245371	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-2H+NH4"	16.019271
"44395"	1159.426866	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M-2H+Na"	20.974666
"476301"	1728.652966	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M-2H+Na"	20.974666
"859571"	590.200766	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-2H+Na"	20.974666
"1628017"	590.200766	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Na-2H"	20.974666
"105639"	586.207163	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M-H+Cl"	33.962126
"541918"	870.820213	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M-H+Cl"	33.962126
"936525"	301.594113	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-H+Cl"	33.962126
"278362"	1173.421602	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+Cl"	34.969402
"662764"	1742.647702	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+Cl"	34.969402
"1282105"	604.195502	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Cl"	34.969402
"29035"	1175.400806	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M-2H+K"	36.948606
"469323"	1744.626906	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M-2H+K"	36.948606
"840929"	606.174706	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-2H+K"	36.948606
"1562229"	606.174706	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+K-2H"	36.948606
"943264"	614.224294	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-H+HCOOH"	44.998194
"361844"	1183.450401	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+HCOOH-H"	44.998201
"346007"	1197.466051	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+Hac-H"	59.013851
"1494471"	628.239951	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Hac-H"	59.013851
"959826"	636.206251	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-H+NaCOOH"	66.980151
"111282"	604.195502	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+2Cl"	69.938804
"554856"	888.808552	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+2Cl"	69.938804
"1027301"	319.582452	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2Cl"	69.938804
"1241527"	648.144985	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Br"	78.918885
"1305678"	650.200972	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Cl+HCOOH"	80.974872
"1319968"	672.182929	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Cl+NaCOOH"	102.956829
"911525"	682.211686	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M-H+CF3COOH"	112.985586
"1294240"	718.188364	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Cl+CF3COOH"	148.962264
"1368392"	534.213424	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H-2H2O"	-35.012676
"1389902"	552.2234	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H-H2O"	-17.0027
"290681"	1139.459476	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+H"	1.007276
"689302"	1708.685576	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+H"	1.007276
"1362734"	570.233376	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H"	1.007276
"139280"	570.233376	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+2H"	2.014552
"578837"	854.846426	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+2H"	2.014552
"1052144"	285.620326	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2H"	2.014552
"218829"	380.491342666667	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+3H"	3.021828
"658754"	570.233376	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+3H"	3.021828
"1177486"	190.749309333333	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+3H"	3.021828
"438932"	1156.486023	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+NH4"	18.033823
"799320"	1725.712123	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+NH4"	18.033823
"1696382"	587.259923	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+NH4"	18.033823
"343565"	578.7466495	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+H+NH4"	19.041099
"736351"	863.3596995	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+H+NH4"	19.041099
"1488713"	294.1335995	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H+NH4"	19.041099
"404477"	1161.441418	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+Na"	22.989218
"767662"	1730.667518	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+Na"	22.989218
"1615759"	592.215318	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Na"	22.989218
"326887"	581.224347	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+H+Na"	23.996494
"714936"	865.837397	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+H+Na"	23.996494
"1469853"	296.611297	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H+Na"	23.996494
"1068408"	198.076623333333	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2H+Na"	25.00377
"1271950"	602.259586	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+CH3OH+H"	33.033486
"392102"	1177.415358	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+K"	38.963158
"749814"	1746.641458	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+K"	38.963158
"1551867"	608.189258	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+K"	38.963158
"310135"	589.211317	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+H+K"	39.970434
"701464"	873.824367	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+H+K"	39.970434
"1457110"	304.598267	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H+K"	39.970434
"249356"	1180.486026	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+ACN+H"	42.033826
"1219876"	611.259926	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+ACN+H"	42.033826
"1203758"	306.133601	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+ACN+2H"	43.041102
"201004"	1183.42336	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+2Na-H"	44.97116
"642633"	1752.64946	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+2Na-H"	44.97116
"1145164"	614.19726	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2Na-H"	44.97116
"184080"	592.215318	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+2Na"	45.978436
"627411"	876.828368	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+2Na"	45.978436
"1128239"	307.602268	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2Na"	45.978436
"1401559"	205.403937333333	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H+2Na"	46.985712
"1433311"	616.238846	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H+HCOOH"	47.012746
"225194"	597.24834	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+3H2O+2H"	56.04448
"1517268"	630.29089	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+IsoProp+H"	61.06479
"411486"	600.202288	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+Na+K"	61.952376
"772851"	884.815338	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+Na+K"	61.952376
"1674285"	315.589238	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Na+K"	61.952376
"259716"	1202.467968	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+ACN+Na"	64.015768
"1235705"	633.241868	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+ACN+Na"	64.015768
"1724592"	633.265393	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+NH4+HCOOH"	64.039293
"1186666"	212.731251333333	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+3Na"	68.967654
"1664215"	638.220788	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Na+HCOOH"	68.994688
"168887"	1215.37124	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+2K-H"	76.91904
"608449"	1784.59734	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+2K-H"	76.91904
"1095149"	646.14514	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2K-H"	76.91904
"154882"	608.189258	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"2M+2K"	77.926316
"591526"	892.802308	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"3M+2K"	77.926316
"1078224"	323.576208	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2K"	77.926316
"1111434"	648.159692	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2K+H"	78.933592
"1348911"	648.247307	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+DMSO+H"	79.021207
"1018537"	652.286476	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2ACN+H"	83.060376
"1536662"	653.280108	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+IsoProp+Na+H"	84.054008
"999829"	326.646876	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+2ACN+2H"	84.067652
"1599437"	654.194728	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+K+HCOOH"	84.968628
"1427647"	684.226238	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+H+CF3COOH"	115.000138
"1155747"	347.160151	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+3ACN+2H"	125.094202
"1699831"	701.252785	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+NH4+CF3COOH"	132.026685
"1642048"	706.20818	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+Na+CF3COOH"	136.98208
"1579884"	722.18212	"C09937"	"Celapanine"	"C30H35NO10"	"569.2261"	"M+K+CF3COOH"	152.95602
"808061"	218.1671	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M"	0
"976488"	199.14871	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"64734"	144.437457333333	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"508303"	217.159824	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"881000"	71.7150906666667	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"2491"	217.159824	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"440586"	326.243374	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"817153"	108.076274	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"78776"	435.326924	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"518903"	653.494024	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"899397"	217.159824	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"49031"	452.353471	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"487493"	670.520571	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"866150"	234.186371	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"32020"	457.308866	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"472153"	675.475966	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"850202"	239.141766	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1632866"	239.141766	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"106841"	235.148163	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"548587"	344.231713	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"936635"	126.064613	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"273004"	471.303602	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"666520"	689.470702	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1280027"	253.136502	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"23677"	473.282806	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"465422"	691.449906	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"839945"	255.115706	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1559057"	255.115706	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"945116"	263.165294	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"361866"	481.332401	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"347211"	495.348051	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1495679"	277.180951	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"962489"	285.147251	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"114675"	253.136502	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"555329"	362.220052	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1028504"	144.052952	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1243704"	297.085985	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1307250"	299.141972	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1320372"	321.123929	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"913258"	331.152686	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1294350"	367.129364	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1374696"	183.154424	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1390009"	201.1644	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"290791"	437.341476	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"689775"	655.508576	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1365031"	219.174376	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H"	1.007276
"132455"	219.174376	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"573109"	328.257926	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1048848"	110.090826	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"217476"	146.452009333333	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"657037"	219.174376	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1177228"	73.7296426666667	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"436975"	454.368023	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"796512"	672.535123	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1692843"	236.200923	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"342214"	227.6876495	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"734270"	336.7711995	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1484810"	118.6040995	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"402397"	459.323418	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"766310"	677.490518	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1612585"	241.156318	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"322618"	230.165347	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"717232"	339.248897	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1471053"	121.081797	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1061022"	81.0569566666667	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1269991"	251.200586	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"390027"	475.297358	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"749926"	693.464458	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1551976"	257.130258	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+K"	38.963158
"310246"	238.152317	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"700481"	347.235867	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1454306"	129.068767	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"241810"	478.368026	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1218893"	260.200926	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1204962"	130.604101	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"197833"	481.30536	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"639581"	699.47246	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1140900"	263.13826	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"177993"	241.156318	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"622656"	350.239868	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1128349"	132.072768	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1408592"	88.3842706666667	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1435608"	265.179846	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"229313"	246.18934	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1510447"	279.23189	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"412328"	249.143288	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"774785"	358.226838	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1674395"	140.059738	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"259827"	500.349968	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1235815"	282.182868	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1724701"	282.206393	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1188962"	95.7115846666667	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1664204"	287.161788	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"170091"	513.25324	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"610382"	731.42034	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1095990"	295.08614	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"155357"	257.130258	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"593823"	366.213808	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1080522"	148.046708	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1113611"	297.100692	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1348657"	297.188307	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1017553"	301.227476	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1536771"	302.221108	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"997752"	151.117376	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1601003"	303.135728	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1427756"	333.167238	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1159137"	171.630651	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1699941"	350.193785	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1641065"	355.14918	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1579994"	371.12312	"C09938"	"()-8-Hydroxycalamenene"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"801581"	270.0892	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M"	0
"974776"	251.07081	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"63751"	179.052190666667	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"505134"	269.081924	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"880132"	89.0224573333333	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"290"	269.081924	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"441063"	404.126524	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"818134"	134.037324	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"79579"	539.171124	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"519746"	809.260324	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"895966"	269.081924	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"47434"	556.197671	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"487481"	826.286871	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"864920"	286.108471	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"32207"	561.153066	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"471653"	831.242266	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"849340"	291.063866	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1630421"	291.063866	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"108044"	287.070263	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"547604"	422.114863	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"937838"	152.025663	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"276394"	575.147802	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"664443"	845.237002	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1283418"	305.058602	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"21600"	577.127006	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"463346"	847.216206	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"837868"	307.037806	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1560261"	307.037806	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"943769"	315.087394	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"361980"	585.176601	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"349143"	599.192251	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1499069"	329.103051	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"965517"	337.069351	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"111870"	305.058602	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"562003"	440.103202	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1029344"	170.014002	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1244909"	349.008085	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1306996"	351.064072	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1321577"	373.046029	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"912396"	383.074786	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1294460"	419.051464	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1373713"	235.076524	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1390119"	253.0865	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"285431"	541.185676	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"687699"	811.274876	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1360766"	271.096476	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"138033"	271.096476	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"573219"	406.141076	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1051632"	136.051876	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"218680"	181.066742666667	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"658240"	271.096476	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1177338"	91.0370093333333	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"435261"	558.212223	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"799540"	828.301423	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1690401"	288.123023	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"339771"	279.6097495	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"733286"	414.6543495	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1488200"	144.5651495	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"403600"	563.167618	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"767149"	833.256818	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1609412"	293.078418	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"318354"	282.087447	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"718800"	417.132047	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1472255"	147.042847	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1067092"	98.3643233333333	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1271681"	303.122686	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"390747"	579.141558	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"751129"	849.230758	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1552086"	309.052358	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"310356"	290.074417	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"702777"	425.119017	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1454415"	155.029817	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"241920"	582.212226	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1215721"	312.123026	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1207259"	156.565151	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"201223"	585.14956	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"635316"	855.23876	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1141010"	315.06036	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"181019"	293.078418	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"618755"	428.123018	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1128459"	158.033818	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1408702"	105.691637333333	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1434989"	317.101946	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"229423"	298.11144	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1517485"	331.15399	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"410981"	301.065388	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"777082"	436.109988	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1671225"	166.020788	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"257748"	604.194168	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1230457"	334.104968	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1721531"	334.128493	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1187979"	113.018951333333	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1662246"	339.083888	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"170202"	617.09744	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"609764"	887.18664	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1095368"	347.00824	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"155466"	309.052358	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"595027"	444.096958	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1082699"	174.007758	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1111655"	349.022792	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1345851"	349.110407	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1018756"	353.149576	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1534694"	354.143208	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"998955"	177.078426	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1601113"	355.057828	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1425679"	385.089338	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1159247"	197.591701	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1703331"	402.115885	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1641175"	407.07128	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1580104"	423.04522	"C09939"	"Strobopinin"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"803908"	450.2955	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M"	0
"975127"	431.27711	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-H2O-H"	-19.01839
"65683"	299.189724	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M-3H"	-3.021828
"508524"	449.288224	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M-3H"	-3.021828
"880611"	149.091224	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-3H"	-3.021828
"557"	449.288224	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M-2H"	-2.014552
"443359"	674.435974	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M-2H"	-2.014552
"819337"	224.140474	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-2H"	-2.014552
"80057"	899.583724	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M-H"	-1.007276
"519616"	1349.879224	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M-H"	-1.007276
"896000"	449.288224	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-H"	-1.007276
"48521"	916.610271	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M-2H+NH4"	16.019271
"491367"	1366.905771	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M-2H+NH4"	16.019271
"864788"	466.314771	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-2H+NH4"	16.019271
"31754"	921.565666	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M-2H+Na"	20.974666
"471886"	1371.861166	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M-2H+Na"	20.974666
"850058"	471.270166	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-2H+Na"	20.974666
"1630531"	471.270166	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Na-2H"	20.974666
"108154"	467.276563	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M-H+Cl"	33.962126
"547714"	692.424313	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M-H+Cl"	33.962126
"940135"	242.128813	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-H+Cl"	33.962126
"276504"	935.560402	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+Cl"	34.969402
"672207"	1385.855902	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+Cl"	34.969402
"1286444"	485.264902	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Cl"	34.969402
"27177"	937.539606	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M-2H+K"	36.948606
"464549"	1387.835106	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M-2H+K"	36.948606
"840165"	487.244106	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-2H+K"	36.948606
"1563651"	487.244106	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+K-2H"	36.948606
"948252"	495.293694	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-H+HCOOH"	44.998194
"364280"	945.589201	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+HCOOH-H"	44.998201
"347068"	959.604851	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+Hac-H"	59.013851
"1501366"	509.309351	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Hac-H"	59.013851
"967814"	517.275651	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-H+NaCOOH"	66.980151
"116722"	485.264902	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+2Cl"	69.938804
"562843"	710.412652	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+2Cl"	69.938804
"1029454"	260.117152	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2Cl"	69.938804
"1243927"	529.214385	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Br"	78.918885
"1306378"	531.270372	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Cl+HCOOH"	80.974872
"1323146"	553.252329	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Cl+NaCOOH"	102.956829
"913474"	563.281086	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M-H+CF3COOH"	112.985586
"1297850"	599.257764	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Cl+CF3COOH"	148.962264
"1373823"	415.282824	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H-2H2O"	-35.012676
"1388042"	433.2928	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H-H2O"	-17.0027
"283596"	901.598276	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+H"	1.007276
"680150"	1351.893776	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+H"	1.007276
"1361969"	451.302776	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H"	1.007276
"135953"	451.302776	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+2H"	2.014552
"573329"	676.450526	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+2H"	2.014552
"1050157"	226.155026	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2H"	2.014552
"219520"	301.204276	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+3H"	3.021828
"659324"	451.302776	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+3H"	3.021828
"1178181"	151.105776	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+3H"	3.021828
"438168"	918.624823	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+NH4"	18.033823
"800501"	1368.920323	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+NH4"	18.033823
"1693791"	468.329323	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+NH4"	18.033823
"343161"	459.8160495	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+H+NH4"	19.041099
"734855"	684.9637995	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+H+NH4"	19.041099
"1488311"	234.6682995	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H+NH4"	19.041099
"408085"	923.580218	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+Na"	22.989218
"768351"	1373.875718	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+Na"	22.989218
"1610615"	473.284718	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Na"	22.989218
"320650"	462.293747	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+H+Na"	23.996494
"717450"	687.441497	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+H+Na"	23.996494
"1473095"	237.145997	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H+Na"	23.996494
"1062335"	158.43309	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2H+Na"	25.00377
"1271304"	483.328986	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+CH3OH+H"	33.033486
"391337"	939.554158	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+K"	38.963158
"749051"	1389.849658	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+K"	38.963158
"1552925"	489.258658	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+K"	38.963158
"312288"	470.280717	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+H+K"	39.970434
"703980"	695.428467	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+H+K"	39.970434
"1455617"	245.132967	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H+K"	39.970434
"244216"	942.624826	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+ACN+H"	42.033826
"1216195"	492.329326	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+ACN+H"	42.033826
"1202995"	246.668301	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+ACN+2H"	43.041102
"198053"	945.56216	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+2Na-H"	44.97116
"635427"	1395.85766	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+2Na-H"	44.97116
"1142214"	495.26666	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2Na-H"	44.97116
"187815"	473.284718	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+2Na"	45.978436
"625064"	698.432468	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+2Na"	45.978436
"1128570"	248.136968	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2Na"	45.978436
"1406626"	165.760404	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H+2Na"	46.985712
"1437651"	497.308246	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H+HCOOH"	47.012746
"229533"	478.31774	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+3H2O+2H"	56.04448
"1517595"	511.36029	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+IsoProp+H"	61.06479
"411091"	481.271688	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+Na+K"	61.952376
"775005"	706.419438	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+Na+K"	61.952376
"1674615"	256.123938	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Na+K"	61.952376
"260045"	964.606768	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+ACN+Na"	64.015768
"1234941"	514.311268	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+ACN+Na"	64.015768
"1723828"	514.334793	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+NH4+HCOOH"	64.039293
"1190276"	173.087718	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+3Na"	68.967654
"1665152"	519.290188	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Na+HCOOH"	68.994688
"172303"	977.51004	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+2K-H"	76.91904
"611940"	1427.80554	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+2K-H"	76.91904
"1098637"	527.21454	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2K-H"	76.91904
"156306"	489.258658	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"2M+2K"	77.926316
"595015"	714.406408	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"3M+2K"	77.926316
"1081471"	264.110908	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2K"	77.926316
"1108483"	529.229092	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2K+H"	78.933592
"1345961"	529.316707	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+DMSO+H"	79.021207
"1019596"	533.355876	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2ACN+H"	83.060376
"1535900"	534.349508	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+IsoProp+Na+H"	84.054008
"1002348"	267.181576	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+2ACN+2H"	84.067652
"1599037"	535.264128	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+K+HCOOH"	84.968628
"1425789"	565.295638	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+H+CF3COOH"	115.000138
"1161910"	287.694851	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+3ACN+2H"	125.094202
"1711096"	582.322185	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+NH4+CF3COOH"	132.026685
"1646751"	587.27758	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+Na+CF3COOH"	136.98208
"1579121"	603.25152	"C09940"	"Chaksine"	"C22H38N6O4"	"450.2955"	"M+K+CF3COOH"	152.95602
"802112"	518.3032	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M"	0
"976451"	499.28481	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-H2O-H"	-19.01839
"63274"	344.528190666667	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M-3H"	-3.021828
"504136"	517.295924	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M-3H"	-3.021828
"880231"	171.760457333333	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-3H"	-3.021828
"267"	517.295924	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M-2H"	-2.014552
"441280"	776.447524	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M-2H"	-2.014552
"817989"	258.144324	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-2H"	-2.014552
"78705"	1035.599124	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M-H"	-1.007276
"519199"	1553.902324	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M-H"	-1.007276
"895677"	517.295924	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-H"	-1.007276
"47539"	1052.625671	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M-2H+NH4"	16.019271
"490383"	1570.928871	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M-2H+NH4"	16.019271
"865023"	534.322471	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-2H+NH4"	16.019271
"31658"	1057.581066	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M-2H+Na"	20.974666
"471441"	1575.884266	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M-2H+Na"	20.974666
"849804"	539.277866	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-2H+Na"	20.974666
"1632828"	539.277866	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Na-2H"	20.974666
"107171"	535.284263	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M-H+Cl"	33.962126
"547824"	794.435863	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M-H+Cl"	33.962126
"935872"	276.132663	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-H+Cl"	33.962126
"276614"	1071.575802	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+Cl"	34.969402
"663570"	1589.879002	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+Cl"	34.969402
"1287287"	553.272602	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Cl"	34.969402
"30327"	1073.555006	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M-2H+K"	36.948606
"464659"	1591.858206	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M-2H+K"	36.948606
"845742"	555.251806	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-2H+K"	36.948606
"1564855"	555.251806	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+K-2H"	36.948606
"950549"	563.301394	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-H+HCOOH"	44.998194
"369857"	1081.604601	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+HCOOH-H"	44.998201
"355925"	1095.620251	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+Hac-H"	59.013851
"1501476"	577.317051	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Hac-H"	59.013851
"966830"	585.283351	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-H+NaCOOH"	66.980151
"116832"	553.272602	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+2Cl"	69.938804
"556391"	812.424202	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+2Cl"	69.938804
"1032481"	294.121002	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2Cl"	69.938804
"1251329"	597.222085	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Br"	78.918885
"1309036"	599.278072	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Cl+HCOOH"	80.974872
"1322523"	621.260029	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Cl+NaCOOH"	102.956829
"913947"	631.288786	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M-H+CF3COOH"	112.985586
"1289812"	667.265464	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Cl+CF3COOH"	148.962264
"1369194"	483.290524	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H-2H2O"	-35.012676
"1388152"	501.3005	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H-H2O"	-17.0027
"285651"	1037.613676	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+H"	1.007276
"681353"	1555.916876	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+H"	1.007276
"1358798"	519.310476	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H"	1.007276
"139343"	519.310476	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+2H"	2.014552
"575622"	778.462076	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+2H"	2.014552
"1051728"	260.158876	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2H"	2.014552
"218170"	346.542742666667	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+3H"	3.021828
"658461"	519.310476	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+3H"	3.021828
"1177560"	173.775009333333	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+3H"	3.021828
"438278"	1054.640223	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+NH4"	18.033823
"799029"	1572.943423	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+NH4"	18.033823
"1696089"	536.337023	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+NH4"	18.033823
"342178"	527.8237495	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+H+NH4"	19.041099
"730225"	786.9753495	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+H+NH4"	19.041099
"1486234"	268.6721495	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H+NH4"	19.041099
"406736"	1059.595618	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+Na"	22.989218
"767732"	1577.898818	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+Na"	22.989218
"1610725"	541.292418	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Na"	22.989218
"319667"	530.301447	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+H+Na"	23.996494
"716467"	789.453047	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+H+Na"	23.996494
"1468100"	271.149847	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H+Na"	23.996494
"1065724"	181.102323333333	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2H+Na"	25.00377
"1270684"	551.336686	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+CH3OH+H"	33.033486
"392176"	1075.569558	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+K"	38.963158
"749159"	1593.872758	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+K"	38.963158
"1553399"	557.266358	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+K"	38.963158
"304013"	538.288417	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+H+K"	39.970434
"698621"	797.440017	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+H+K"	39.970434
"1454632"	279.136817	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H+K"	39.970434
"241046"	1078.640226	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+ACN+H"	42.033826
"1216305"	560.337026	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+ACN+H"	42.033826
"1203105"	280.672151	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+ACN+2H"	43.041102
"198163"	1081.57756	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+2Na-H"	44.97116
"638817"	1599.88076	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+2Na-H"	44.97116
"1142324"	563.27436	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2Na-H"	44.97116
"187801"	541.292418	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+2Na"	45.978436
"626267"	800.444018	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+2Na"	45.978436
"1128680"	282.140818	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2Na"	45.978436
"1406736"	188.429637333333	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H+2Na"	46.985712
"1439948"	565.315946	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H+HCOOH"	47.012746
"229643"	546.32544	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+3H2O+2H"	56.04448
"1517705"	579.36799	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+IsoProp+H"	61.06479
"414117"	549.279388	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+Na+K"	61.952376
"778395"	808.430988	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+Na+K"	61.952376
"1678005"	290.127788	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Na+K"	61.952376
"259062"	1100.622168	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+ACN+Na"	64.015768
"1232864"	582.318968	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+ACN+Na"	64.015768
"1725031"	582.342493	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+NH4+HCOOH"	64.039293
"1192452"	195.756951333333	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+3Na"	68.967654
"1665303"	587.297888	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Na+HCOOH"	68.994688
"172580"	1113.52544	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+2K-H"	76.91904
"612540"	1631.82864	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+2K-H"	76.91904
"1098747"	595.22224	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2K-H"	76.91904
"156626"	557.266358	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"2M+2K"	77.926316
"595125"	816.417958	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"3M+2K"	77.926316
"1077570"	298.114758	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2K"	77.926316
"1115118"	597.236792	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2K+H"	78.933592
"1346071"	597.324407	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+DMSO+H"	79.021207
"1020683"	601.363576	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2ACN+H"	83.060376
"1539172"	602.357208	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+IsoProp+Na+H"	84.054008
"999177"	301.185426	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+2ACN+2H"	84.067652
"1599149"	603.271828	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+K+HCOOH"	84.968628
"1422620"	633.303338	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+H+CF3COOH"	115.000138
"1159470"	321.698701	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+3ACN+2H"	125.094202
"1710113"	650.329885	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+NH4+CF3COOH"	132.026685
"1646861"	655.28528	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+Na+CF3COOH"	136.98208
"1580324"	671.25922	"C09941"	"Hypercalin B"	"C33H42O5"	"518.3032"	"M+K+CF3COOH"	152.95602
"801367"	288.1362	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M"	0
"974415"	269.11781	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-H2O-H"	-19.01839
"62932"	191.083524	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M-3H"	-3.021828
"502858"	287.128924	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M-3H"	-3.021828
"880054"	95.038124	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-3H"	-3.021828
"3"	287.128924	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M-2H"	-2.014552
"440008"	431.197024	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M-2H"	-2.014552
"817078"	143.060824	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-2H"	-2.014552
"78689"	575.265124	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M-H"	-1.007276
"518895"	863.401324	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M-H"	-1.007276
"895775"	287.128924	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-H"	-1.007276
"47526"	592.291671	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M-2H+NH4"	16.019271
"492679"	880.427871	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M-2H+NH4"	16.019271
"864237"	304.155471	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-2H+NH4"	16.019271
"31534"	597.247066	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M-2H+Na"	20.974666
"471620"	885.383266	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M-2H+Na"	20.974666
"848814"	309.110866	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-2H+Na"	20.974666
"1629659"	309.110866	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Na-2H"	20.974666
"105094"	305.117263	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M-H+Cl"	33.962126
"545747"	449.185363	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M-H+Cl"	33.962126
"937075"	161.049163	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-H+Cl"	33.962126
"275631"	611.241802	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+Cl"	34.969402
"661492"	899.378002	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+Cl"	34.969402
"1286910"	323.105602	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Cl"	34.969402
"30316"	613.221006	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M-2H+K"	36.948606
"464769"	901.357206	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M-2H+K"	36.948606
"845852"	325.084806	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-2H+K"	36.948606
"1564965"	325.084806	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+K-2H"	36.948606
"947379"	333.134394	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-H+HCOOH"	44.998194
"369967"	621.270601	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+HCOOH-H"	44.998201
"350568"	635.286251	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+Hac-H"	59.013851
"1501586"	347.150051	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Hac-H"	59.013851
"961108"	355.116351	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-H+NaCOOH"	66.980151
"115848"	323.105602	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+2Cl"	69.938804
"556501"	467.173702	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+2Cl"	69.938804
"1024208"	179.037502	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2Cl"	69.938804
"1250346"	367.055085	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Br"	78.918885
"1306958"	369.111072	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Cl+HCOOH"	80.974872
"1322997"	391.093029	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Cl+NaCOOH"	102.956829
"913693"	401.121786	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M-H+CF3COOH"	112.985586
"1289680"	437.098464	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Cl+CF3COOH"	148.962264
"1367399"	253.123524	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H-2H2O"	-35.012676
"1384982"	271.1335	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H-H2O"	-17.0027
"285761"	577.279676	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+H"	1.007276
"677089"	865.415876	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+H"	1.007276
"1363282"	289.143476	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H"	1.007276
"133987"	289.143476	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+2H"	2.014552
"573548"	433.211576	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+2H"	2.014552
"1052567"	145.075376	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2H"	2.014552
"218277"	193.098076	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+3H"	3.021828
"658810"	289.143476	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+3H"	3.021828
"1174502"	97.052676	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+3H"	3.021828
"437417"	594.306223	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+NH4"	18.033823
"797318"	882.442423	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+NH4"	18.033823
"1694375"	306.170023	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+NH4"	18.033823
"342289"	297.6567495	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+H+NH4"	19.041099
"730335"	441.7248495	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+H+NH4"	19.041099
"1487437"	153.5886495	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H+NH4"	19.041099
"405753"	599.261618	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+Na"	22.989218
"768571"	887.397818	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+Na"	22.989218
"1609742"	311.125418	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Na"	22.989218
"319777"	300.134447	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+H+Na"	23.996494
"715484"	444.202547	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+H+Na"	23.996494
"1468210"	156.066347	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H+Na"	23.996494
"1060366"	104.37999	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2H+Na"	25.00377
"1268605"	321.169686	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+CH3OH+H"	33.033486
"390464"	615.235558	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+K"	38.963158
"749269"	903.371758	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+K"	38.963158
"1552415"	327.099358	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+K"	38.963158
"306309"	308.121417	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+H+K"	39.970434
"696545"	452.189517	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+H+K"	39.970434
"1454741"	164.053317	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H+K"	39.970434
"239697"	618.306226	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+ACN+H"	42.033826
"1216051"	330.170026	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+ACN+H"	42.033826
"1206495"	165.588651	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+ACN+2H"	43.041102
"198273"	621.24356	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+2Na-H"	44.97116
"635647"	909.37976	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+2Na-H"	44.97116
"1142434"	333.10736	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2Na-H"	44.97116
"186818"	311.125418	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+2Na"	45.978436
"626378"	455.193518	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+2Na"	45.978436
"1128790"	167.057318	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2Na"	45.978436
"1410126"	111.707304	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H+2Na"	46.985712
"1436778"	335.148946	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H+HCOOH"	47.012746
"226473"	316.15844	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+3H2O+2H"	56.04448
"1513441"	349.20099	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+IsoProp+H"	61.06479
"413134"	319.112388	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+Na+K"	61.952376
"778505"	463.180488	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+Na+K"	61.952376
"1677022"	175.044288	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Na+K"	61.952376
"262452"	640.288168	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+ACN+Na"	64.015768
"1237349"	352.151968	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+ACN+Na"	64.015768
"1727329"	352.175493	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+NH4+HCOOH"	64.039293
"1191590"	119.034618	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+3Na"	68.967654
"1665462"	357.130888	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Na+HCOOH"	68.994688
"172737"	653.19144	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+2K-H"	76.91904
"612680"	941.32764	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+2K-H"	76.91904
"1098857"	365.05524	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2K-H"	76.91904
"157091"	327.099358	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"2M+2K"	77.926316
"595235"	471.167458	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"3M+2K"	77.926316
"1075494"	183.031258	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2K"	77.926316
"1115349"	367.069792	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2K+H"	78.933592
"1345088"	367.157407	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+DMSO+H"	79.021207
"1020874"	371.196576	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2ACN+H"	83.060376
"1539756"	372.190208	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+IsoProp+Na+H"	84.054008
"999287"	186.101926	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+2ACN+2H"	84.067652
"1599259"	373.104828	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+K+HCOOH"	84.968628
"1422730"	403.136338	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+H+CF3COOH"	115.000138
"1161402"	206.615201	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+3ACN+2H"	125.094202
"1709129"	420.162885	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+NH4+CF3COOH"	132.026685
"1648064"	425.11828	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+Na+CF3COOH"	136.98208
"1580434"	441.09222	"C09942"	"Karwinaphthol B"	"C17H20O4"	"288.1362"	"M+K+CF3COOH"	152.95602
"803145"	263.1885	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M"	0
"975946"	244.17011	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-H2O-H"	-19.01839
"64550"	174.451724	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M-3H"	-3.021828
"505570"	262.181224	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M-3H"	-3.021828
"881664"	86.722224	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-3H"	-3.021828
"1218"	262.181224	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M-2H"	-2.014552
"440894"	393.775474	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M-2H"	-2.014552
"817965"	130.586974	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-2H"	-2.014552
"78719"	525.369724	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M-H"	-1.007276
"519333"	788.558224	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M-H"	-1.007276
"895842"	262.181224	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-H"	-1.007276
"48002"	542.396271	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M-2H+NH4"	16.019271
"490602"	805.584771	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M-2H+NH4"	16.019271
"864546"	279.207771	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-2H+NH4"	16.019271
"31963"	547.351666	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M-2H+Na"	20.974666
"475138"	810.540166	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M-2H+Na"	20.974666
"848844"	284.163166	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-2H+Na"	20.974666
"1627582"	284.163166	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Na-2H"	20.974666
"101922"	280.169563	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M-H+Cl"	33.962126
"545857"	411.763813	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M-H+Cl"	33.962126
"932810"	148.575313	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-H+Cl"	33.962126
"274648"	561.346402	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+Cl"	34.969402
"664885"	824.534902	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+Cl"	34.969402
"1286656"	298.157902	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Cl"	34.969402
"29576"	563.325606	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M-2H+K"	36.948606
"463786"	826.514106	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M-2H+K"	36.948606
"847304"	300.137106	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-2H+K"	36.948606
"1570180"	300.137106	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+K-2H"	36.948606
"954050"	308.186694	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-H+HCOOH"	44.998194
"372264"	571.375201	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+HCOOH-H"	44.998201
"352866"	585.390851	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+Hac-H"	59.013851
"1500604"	322.202351	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Hac-H"	59.013851
"967052"	330.168651	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-H+NaCOOH"	66.980151
"115960"	298.157902	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+2Cl"	69.938804
"552965"	429.752152	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+2Cl"	69.938804
"1026140"	166.563652	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2Cl"	69.938804
"1247903"	342.107385	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Br"	78.918885
"1309623"	344.163372	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Cl+HCOOH"	80.974872
"1323108"	366.145329	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Cl+NaCOOH"	102.956829
"913439"	376.174086	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M-H+CF3COOH"	112.985586
"1290639"	412.150764	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Cl+CF3COOH"	148.962264
"1370875"	228.175824	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H-2H2O"	-35.012676
"1383265"	246.1858	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H-H2O"	-17.0027
"285871"	527.384276	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+H"	1.007276
"676348"	790.572776	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+H"	1.007276
"1355738"	264.195776	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H"	1.007276
"139443"	264.195776	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+2H"	2.014552
"576938"	395.790026	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+2H"	2.014552
"1052757"	132.601526	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2H"	2.014552
"218023"	176.466276	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+3H"	3.021828
"655390"	264.195776	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+3H"	3.021828
"1171330"	88.736776	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+3H"	3.021828
"437891"	544.410823	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+NH4"	18.033823
"798884"	807.599323	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+NH4"	18.033823
"1694850"	281.222323	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+NH4"	18.033823
"341305"	272.7090495	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+H+NH4"	19.041099
"730445"	404.3032995	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+H+NH4"	19.041099
"1487183"	141.1147995	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H+NH4"	19.041099
"406227"	549.366218	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+Na"	22.989218
"765765"	812.554718	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+Na"	22.989218
"1609852"	286.177718	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Na"	22.989218
"315515"	275.186747	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+H+Na"	23.996494
"713407"	406.780997	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+H+Na"	23.996494
"1468322"	143.592497	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H+Na"	23.996494
"1062663"	96.06409	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2H+Na"	25.00377
"1264342"	296.221986	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+CH3OH+H"	33.033486
"390938"	565.340158	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+K"	38.963158
"748286"	828.528658	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+K"	38.963158
"1550339"	302.151658	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+K"	38.963158
"308611"	283.173717	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+H+K"	39.970434
"701031"	414.767967	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+H+K"	39.970434
"1454854"	151.579467	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H+K"	39.970434
"246371"	568.410826	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+ACN+H"	42.033826
"1221630"	305.222326	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+ACN+H"	42.033826
"1204421"	153.114801	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+ACN+2H"	43.041102
"197290"	571.34816	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+2Na-H"	44.97116
"639036"	834.53666	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+2Na-H"	44.97116
"1142544"	308.15966	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2Na-H"	44.97116
"181460"	286.177718	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+2Na"	45.978436
"625759"	417.771968	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+2Na"	45.978436
"1126713"	154.583468	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2Na"	45.978436
"1406956"	103.391404	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H+2Na"	46.985712
"1436888"	310.201246	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H+HCOOH"	47.012746
"226583"	291.21074	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+3H2O+2H"	56.04448
"1511366"	324.25329	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+IsoProp+H"	61.06479
"408787"	294.164688	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+Na+K"	61.952376
"776429"	425.758938	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+Na+K"	61.952376
"1673854"	162.570438	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Na+K"	61.952376
"258189"	590.392768	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+ACN+Na"	64.015768
"1237459"	327.204268	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+ACN+Na"	64.015768
"1728386"	327.227793	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+NH4+HCOOH"	64.039293
"1193767"	110.718718	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+3Na"	68.967654
"1665533"	332.183188	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Na+HCOOH"	68.994688
"172825"	603.29604	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+2K-H"	76.91904
"612807"	866.48454	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+2K-H"	76.91904
"1099883"	340.10754	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2K-H"	76.91904
"157100"	302.151658	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"2M+2K"	77.926316
"596897"	433.745908	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"3M+2K"	77.926316
"1081923"	170.557408	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2K"	77.926316
"1115574"	342.122092	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2K+H"	78.933592
"1349330"	342.209707	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+DMSO+H"	79.021207
"1020899"	346.248876	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2ACN+H"	83.060376
"1539391"	347.242508	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+IsoProp+Na+H"	84.054008
"1004866"	173.628076	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+2ACN+2H"	84.067652
"1598276"	348.157128	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+K+HCOOH"	84.968628
"1422841"	378.188638	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+H+CF3COOH"	115.000138
"1158599"	194.141351	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+3ACN+2H"	125.094202
"1709241"	395.215185	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+NH4+CF3COOH"	132.026685
"1641613"	400.17058	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+Na+CF3COOH"	136.98208
"1579451"	416.14452	"C09943"	"Dendrobine"	"C16H25NO2"	"263.1885"	"M+K+CF3COOH"	152.95602
"802078"	528.2148	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M"	0
"975445"	509.19641	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-H2O-H"	-19.01839
"63441"	351.135924	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M-3H"	-3.021828
"503734"	527.207524	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M-3H"	-3.021828
"881533"	175.064324	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-3H"	-3.021828
"1328"	527.207524	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M-2H"	-2.014552
"441491"	791.314924	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M-2H"	-2.014552
"817954"	263.100124	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-2H"	-2.014552
"79283"	1055.422324	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M-H"	-1.007276
"518960"	1583.637124	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M-H"	-1.007276
"896159"	527.207524	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-H"	-1.007276
"50056"	1072.448871	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M-2H+NH4"	16.019271
"491804"	1600.663671	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M-2H+NH4"	16.019271
"866324"	544.234071	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-2H+NH4"	16.019271
"34225"	1077.404266	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M-2H+Na"	20.974666
"472444"	1605.619066	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M-2H+Na"	20.974666
"849038"	549.189466	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-2H+Na"	20.974666
"1628785"	549.189466	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Na-2H"	20.974666
"102032"	545.195863	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M-H+Cl"	33.962126
"546939"	809.303263	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M-H+Cl"	33.962126
"932920"	281.088463	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-H+Cl"	33.962126
"273664"	1091.399002	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+Cl"	34.969402
"664995"	1619.613802	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+Cl"	34.969402
"1286400"	563.184202	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Cl"	34.969402
"28710"	1093.378206	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M-2H+K"	36.948606
"463896"	1621.593006	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M-2H+K"	36.948606
"846441"	565.163406	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-2H+K"	36.948606
"1566278"	565.163406	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+K-2H"	36.948606
"954160"	573.212994	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-H+HCOOH"	44.998194
"369094"	1101.427801	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+HCOOH-H"	44.998201
"351883"	1115.443451	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+Hac-H"	59.013851
"1498527"	587.228651	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Hac-H"	59.013851
"967162"	595.194951	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-H+NaCOOH"	66.980151
"117162"	563.184202	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+2Cl"	69.938804
"557816"	827.291602	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+2Cl"	69.938804
"1024062"	299.076802	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2Cl"	69.938804
"1245463"	607.133685	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Br"	78.918885
"1307544"	609.189672	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Cl+HCOOH"	80.974872
"1322854"	631.171629	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Cl+NaCOOH"	102.956829
"913914"	641.200386	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M-H+CF3COOH"	112.985586
"1292817"	677.177064	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Cl+CF3COOH"	148.962264
"1370985"	493.202124	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H-2H2O"	-35.012676
"1384467"	511.2121	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H-H2O"	-17.0027
"285981"	1057.436876	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+H"	1.007276
"677430"	1585.651676	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+H"	1.007276
"1355848"	529.222076	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H"	1.007276
"139677"	529.222076	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+2H"	2.014552
"575954"	793.329476	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+2H"	2.014552
"1051692"	265.114676	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2H"	2.014552
"219227"	353.150476	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+3H"	3.021828
"653313"	529.222076	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+3H"	3.021828
"1170347"	177.078876	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+3H"	3.021828
"436179"	1074.463423	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+NH4"	18.033823
"798629"	1602.678223	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+NH4"	18.033823
"1694595"	546.248623	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+NH4"	18.033823
"340321"	537.7353495	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+H+NH4"	19.041099
"730555"	801.8427495	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+H+NH4"	19.041099
"1486564"	273.6279495	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H+NH4"	19.041099
"403057"	1079.418818	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+Na"	22.989218
"759679"	1607.633618	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+Na"	22.989218
"1609962"	551.204018	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Na"	22.989218
"315625"	540.213047	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+H+Na"	23.996494
"710237"	804.320447	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+H+Na"	23.996494
"1466246"	276.105647	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H+Na"	23.996494
"1061680"	184.40619	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2H+Na"	25.00377
"1264452"	561.248286	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+CH3OH+H"	33.033486
"390683"	1095.392758	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+K"	38.963158
"747303"	1623.607558	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+K"	38.963158
"1548262"	567.177958	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+K"	38.963158
"307628"	548.200017	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+H+K"	39.970434
"700047"	812.307417	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+H+K"	39.970434
"1453871"	284.092617	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H+K"	39.970434
"246481"	1098.463426	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+ACN+H"	42.033826
"1221740"	570.248626	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+ACN+H"	42.033826
"1204530"	285.627951	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+ACN+2H"	43.041102
"196306"	1101.40076	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+2Na-H"	44.97116
"635866"	1629.61556	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+2Na-H"	44.97116
"1142654"	573.18596	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2Na-H"	44.97116
"181570"	551.204018	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+2Na"	45.978436
"621130"	815.311418	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+2Na"	45.978436
"1126823"	287.096618	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2Na"	45.978436
"1404513"	191.733504	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H+2Na"	46.985712
"1434811"	575.227546	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H+HCOOH"	47.012746
"224506"	556.23704	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+3H2O+2H"	56.04448
"1511476"	589.27959	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+IsoProp+H"	61.06479
"410063"	559.190988	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+Na+K"	61.952376
"774352"	823.298388	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+Na+K"	61.952376
"1672871"	295.083588	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Na+K"	61.952376
"257206"	1120.445368	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+ACN+Na"	64.015768
"1234289"	592.230568	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+ACN+Na"	64.015768
"1728405"	592.254093	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+NH4+HCOOH"	64.039293
"1191811"	199.060818	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+3Na"	68.967654
"1664741"	597.209488	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Na+HCOOH"	68.994688
"172786"	1133.34864	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+2K-H"	76.91904
"612464"	1661.56344	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+2K-H"	76.91904
"1099811"	605.13384	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2K-H"	76.91904
"156956"	567.177958	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"2M+2K"	77.926316
"596067"	831.285358	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"3M+2K"	77.926316
"1082033"	303.070558	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2K"	77.926316
"1114760"	607.148392	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2K+H"	78.933592
"1348589"	607.236007	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+DMSO+H"	79.021207
"1017119"	611.275176	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2ACN+H"	83.060376
"1538893"	612.268808	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+IsoProp+Na+H"	84.054008
"1001694"	306.141226	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+2ACN+2H"	84.067652
"1599477"	613.183428	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+K+HCOOH"	84.968628
"1420764"	643.214938	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+H+CF3COOH"	115.000138
"1158709"	326.654501	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+3ACN+2H"	125.094202
"1710444"	660.241485	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+NH4+CF3COOH"	132.026685
"1641723"	665.19688	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+Na+CF3COOH"	136.98208
"1579561"	681.17082	"C09944"	"Karwinskione"	"C32H32O7"	"528.2148"	"M+K+CF3COOH"	152.95602
"806646"	233.178	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M"	0
"976897"	214.15961	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-H2O-H"	-19.01839
"64042"	154.444724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M-3H"	-3.021828
"506886"	232.170724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M-3H"	-3.021828
"883594"	76.718724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-3H"	-3.021828
"5450"	232.170724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M-2H"	-2.014552
"440632"	348.759724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M-2H"	-2.014552
"818434"	115.581724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-2H"	-2.014552
"78786"	465.348724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M-H"	-1.007276
"518707"	698.526724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M-H"	-1.007276
"895749"	232.170724	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-H"	-1.007276
"47975"	482.375271	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M-2H+NH4"	16.019271
"488024"	715.553271	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M-2H+NH4"	16.019271
"864970"	249.197271	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-2H+NH4"	16.019271
"32634"	487.330666	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M-2H+Na"	20.974666
"472072"	720.508666	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M-2H+Na"	20.974666
"851701"	254.152666	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-2H+Na"	20.974666
"1629988"	254.152666	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Na-2H"	20.974666
"105423"	250.159063	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M-H+Cl"	33.962126
"547170"	366.748063	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M-H+Cl"	33.962126
"935218"	133.570063	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-H+Cl"	33.962126
"273774"	501.325402	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+Cl"	34.969402
"666199"	734.503402	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+Cl"	34.969402
"1286997"	268.147402	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Cl"	34.969402
"30160"	503.304606	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M-2H+K"	36.948606
"469110"	736.482606	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M-2H+K"	36.948606
"843995"	270.126606	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-2H+K"	36.948606
"1569306"	270.126606	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+K-2H"	36.948606
"954270"	278.176194	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-H+HCOOH"	44.998194
"373578"	511.354201	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+HCOOH-H"	44.998201
"349808"	525.369851	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+Hac-H"	59.013851
"1498639"	292.191851	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Hac-H"	59.013851
"962899"	300.158151	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-H+NaCOOH"	66.980151
"119460"	268.147402	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+2Cl"	69.938804
"557928"	384.736402	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+2Cl"	69.938804
"1026726"	151.558402	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2Cl"	69.938804
"1248492"	312.096885	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Br"	78.918885
"1306200"	314.152872	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Cl+HCOOH"	80.974872
"1325154"	336.134829	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Cl+NaCOOH"	102.956829
"919492"	346.163586	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M-H+CF3COOH"	112.985586
"1290010"	382.140264	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Cl+CF3COOH"	148.962264
"1372189"	198.165324	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H-2H2O"	-35.012676
"1390777"	216.1753	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H-H2O"	-17.0027
"288277"	467.363276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+H"	1.007276
"679605"	700.541276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+H"	1.007276
"1354863"	234.185276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H"	1.007276
"139791"	234.185276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+2H"	2.014552
"577158"	350.774276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+2H"	2.014552
"1051802"	117.596276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2H"	2.014552
"219580"	156.459276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+3H"	3.021828
"657434"	234.185276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+3H"	3.021828
"1175925"	78.733276	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+3H"	3.021828
"437382"	484.389823	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+NH4"	18.033823
"798009"	717.567823	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+NH4"	18.033823
"1694339"	251.211823	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+NH4"	18.033823
"340431"	242.6985495	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+H+NH4"	19.041099
"730665"	359.2875495	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+H+NH4"	19.041099
"1488860"	126.1095495	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H+NH4"	19.041099
"404260"	489.345218	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+Na"	22.989218
"757602"	722.523218	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+Na"	22.989218
"1604604"	256.167218	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Na"	22.989218
"316829"	245.176247	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+H+Na"	23.996494
"710347"	361.765247	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+H+Na"	23.996494
"1467449"	128.587247	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H+Na"	23.996494
"1061790"	86.06059	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2H+Na"	25.00377
"1270030"	266.211486	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+CH3OH+H"	33.033486
"391522"	505.319158	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+K"	38.963158
"749602"	738.497158	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+K"	38.963158
"1548373"	272.141158	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+K"	38.963158
"305551"	253.163217	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+H+K"	39.970434
"701253"	369.752217	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+H+K"	39.970434
"1452886"	136.574217	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H+K"	39.970434
"243675"	508.389826	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+ACN+H"	42.033826
"1220393"	275.211826	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+ACN+H"	42.033826
"1204637"	138.109551	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+ACN+2H"	43.041102
"198968"	511.32716	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+2Na-H"	44.97116
"634151"	744.50516	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+2Na-H"	44.97116
"1141671"	278.14916	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2Na-H"	44.97116
"181680"	256.167218	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+2Na"	45.978436
"624520"	372.756218	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+2Na"	45.978436
"1126933"	139.578218	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2Na"	45.978436
"1404259"	93.387904	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H+2Na"	46.985712
"1438569"	280.190746	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H+HCOOH"	47.012746
"228993"	261.20024	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+3H2O+2H"	56.04448
"1512680"	294.24279	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+IsoProp+H"	61.06479
"411271"	264.154188	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+Na+K"	61.952376
"776650"	380.743188	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+Na+K"	61.952376
"1671888"	147.565188	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Na+K"	61.952376
"263879"	530.371768	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+ACN+Na"	64.015768
"1233306"	297.193768	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+ACN+Na"	64.015768
"1727542"	297.217293	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+NH4+HCOOH"	64.039293
"1191920"	100.715218	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+3Na"	68.967654
"1665339"	302.172688	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Na+HCOOH"	68.994688
"172575"	543.27504	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+2K-H"	76.91904
"612009"	776.45304	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+2K-H"	76.91904
"1097127"	310.09704	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2K-H"	76.91904
"156620"	272.141158	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"2M+2K"	77.926316
"596748"	388.730158	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"3M+2K"	77.926316
"1083242"	155.552158	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2K"	77.926316
"1115524"	312.111592	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2K+H"	78.933592
"1350160"	312.199207	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+DMSO+H"	79.021207
"1018323"	316.238376	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2ACN+H"	83.060376
"1538638"	317.232008	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+IsoProp+Na+H"	84.054008
"1003873"	158.622826	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+2ACN+2H"	84.067652
"1599590"	318.146628	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+K+HCOOH"	84.968628
"1426343"	348.178138	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+H+CF3COOH"	115.000138
"1161006"	179.136101	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+3ACN+2H"	125.094202
"1712257"	365.204685	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+NH4+CF3COOH"	132.026685
"1641833"	370.16008	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+Na+CF3COOH"	136.98208
"1579671"	386.13402	"C09945"	"Deoxynupharidine"	"C15H23NO"	"233.178"	"M+K+CF3COOH"	152.95602
"801665"	211.0845	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M"	0
"977004"	192.06611	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-H2O-H"	-19.01839
"63420"	139.715724	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M-3H"	-3.021828
"502953"	210.077224	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M-3H"	-3.021828
"880541"	69.354224	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-3H"	-3.021828
"2277"	210.077224	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M-2H"	-2.014552
"440497"	315.619474	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M-2H"	-2.014552
"817325"	104.534974	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-2H"	-2.014552
"78691"	421.161724	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M-H"	-1.007276
"518691"	632.246224	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M-H"	-1.007276
"895726"	210.077224	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-H"	-1.007276
"47389"	438.188271	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M-2H+NH4"	16.019271
"487564"	649.272771	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M-2H+NH4"	16.019271
"864633"	227.103771	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-2H+NH4"	16.019271
"34445"	443.143666	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M-2H+Na"	20.974666
"471519"	654.228166	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M-2H+Na"	20.974666
"851082"	232.059166	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-2H+Na"	20.974666
"1630098"	232.059166	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Na-2H"	20.974666
"104440"	228.065563	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M-H+Cl"	33.962126
"546916"	333.607813	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M-H+Cl"	33.962126
"934235"	122.523313	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-H+Cl"	33.962126
"273884"	457.138402	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+Cl"	34.969402
"666309"	668.222902	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+Cl"	34.969402
"1287108"	246.053902	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Cl"	34.969402
"31338"	459.117606	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M-2H+K"	36.948606
"469585"	670.202106	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M-2H+K"	36.948606
"844105"	248.033106	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-2H+K"	36.948606
"1569415"	248.033106	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+K-2H"	36.948606
"953287"	256.082694	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-H+HCOOH"	44.998194
"371501"	467.167201	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+HCOOH-H"	44.998201
"352105"	481.182851	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+Hac-H"	59.013851
"1498749"	270.098351	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Hac-H"	59.013851
"968476"	278.064651	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-H+NaCOOH"	66.980151
"120664"	246.053902	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+2Cl"	69.938804
"561318"	351.596152	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+2Cl"	69.938804
"1026836"	140.511652	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2Cl"	69.938804
"1250789"	290.003385	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Br"	78.918885
"1309956"	292.059372	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Cl+HCOOH"	80.974872
"1327451"	314.041329	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Cl+NaCOOH"	102.956829
"919602"	324.070086	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M-H+CF3COOH"	112.985586
"1291215"	360.046764	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Cl+CF3COOH"	148.962264
"1377766"	176.071824	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H-2H2O"	-35.012676
"1389794"	194.0818	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H-H2O"	-17.0027
"291667"	423.176276	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+H"	1.007276
"680808"	634.260776	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+H"	1.007276
"1356067"	212.091776	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H"	1.007276
"135517"	212.091776	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+2H"	2.014552
"573983"	317.634026	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+2H"	2.014552
"1051548"	106.549526	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2H"	2.014552
"213610"	141.730276	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+3H"	3.021828
"653169"	212.091776	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+3H"	3.021828
"1171660"	71.368776	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+3H"	3.021828
"436764"	440.202823	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+NH4"	18.033823
"793745"	651.287323	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+NH4"	18.033823
"1692262"	229.118323	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+NH4"	18.033823
"340540"	220.6050495	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+H+NH4"	19.041099
"730775"	326.1472995	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+H+NH4"	19.041099
"1487877"	115.0627995	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H+NH4"	19.041099
"403277"	445.158218	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+Na"	22.989218
"759899"	656.242718	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+Na"	22.989218
"1610182"	234.073718	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Na"	22.989218
"319124"	223.082747	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+H+Na"	23.996494
"708147"	328.624997	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+H+Na"	23.996494
"1469745"	117.540497	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H+Na"	23.996494
"1064087"	78.69609	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2H+Na"	25.00377
"1269046"	244.117986	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+CH3OH+H"	33.033486
"389809"	461.132158	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+K"	38.963158
"750805"	672.216658	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+K"	38.963158
"1549576"	250.047658	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+K"	38.963158
"306754"	231.069717	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+H+K"	39.970434
"701363"	336.611967	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+H+K"	39.970434
"1452996"	125.527467	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H+K"	39.970434
"242692"	464.202826	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+ACN+H"	42.033826
"1219773"	253.118326	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+ACN+H"	42.033826
"1205840"	127.062801	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+ACN+2H"	43.041102
"196525"	467.14016	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+2Na-H"	44.97116
"634261"	678.22466	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+2Na-H"	44.97116
"1139594"	256.05566	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2Na-H"	44.97116
"181789"	234.073718	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+2Na"	45.978436
"620621"	339.615968	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+2Na"	45.978436
"1128136"	128.531468	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2Na"	45.978436
"1407285"	86.023404	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H+2Na"	46.985712
"1438312"	258.097246	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H+HCOOH"	47.012746
"229104"	239.10674	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+3H2O+2H"	56.04448
"1517164"	272.14929	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+IsoProp+H"	61.06479
"413569"	242.060688	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+Na+K"	61.952376
"777852"	347.602938	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+Na+K"	61.952376
"1676369"	136.518438	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Na+K"	61.952376
"259612"	486.184768	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+ACN+Na"	64.015768
"1235238"	275.100268	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+ACN+Na"	64.015768
"1723394"	275.123793	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+NH4+HCOOH"	64.039293
"1190573"	93.350718	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+3Na"	68.967654
"1663016"	280.079188	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Na+HCOOH"	68.994688
"172313"	499.08804	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+2K-H"	76.91904
"611508"	710.17254	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+2K-H"	76.91904
"1098941"	288.00354	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2K-H"	76.91904
"156851"	250.047658	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"2M+2K"	77.926316
"596821"	355.589908	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"3M+2K"	77.926316
"1083718"	144.505408	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2K"	77.926316
"1115512"	290.018092	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2K+H"	78.933592
"1350881"	290.105707	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+DMSO+H"	79.021207
"1020258"	294.144876	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2ACN+H"	83.060376
"1538748"	295.138508	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+IsoProp+Na+H"	84.054008
"1004714"	147.576076	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+2ACN+2H"	84.067652
"1602623"	296.053128	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+K+HCOOH"	84.968628
"1427546"	326.084638	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+H+CF3COOH"	115.000138
"1162494"	168.089351	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+3ACN+2H"	125.094202
"1711759"	343.111185	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+NH4+CF3COOH"	132.026685
"1645223"	348.06658	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+Na+CF3COOH"	136.98208
"1579781"	364.04052	"C09946"	"Enicoflavine;3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde"	"C10H13NO4"	"211.0845"	"M+K+CF3COOH"	152.95602
"804678"	230.0943	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M"	0
"977114"	211.07591	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"63286"	152.388924	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"503295"	229.087024	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"880570"	75.690824	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"2387"	229.087024	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"440729"	344.134174	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"817800"	114.039874	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"78714"	459.181324	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"518717"	689.275624	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"896002"	229.087024	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"47502"	476.207871	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"487878"	706.302171	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"864352"	246.113571	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"36742"	481.163266	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"472172"	711.257566	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"851923"	251.068966	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1625834"	251.068966	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"105643"	247.075363	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"546296"	362.122513	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"934345"	132.028213	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"273994"	495.158002	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"666419"	725.252302	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1286487"	265.063702	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"29771"	497.137206	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"468600"	727.231506	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"846767"	267.042906	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1567702"	267.042906	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"949022"	275.092494	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"363958"	505.186801	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"348934"	519.202451	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1495941"	289.108151	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"961296"	297.074451	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"117494"	265.063702	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"555961"	380.110852	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1025852"	150.016552	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1250899"	309.013185	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1308972"	311.069172	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1322094"	333.051129	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"916432"	343.079886	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1289866"	379.056564	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1377876"	195.081624	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1390997"	213.0916	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"291777"	461.195876	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"677638"	691.290176	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1356177"	231.101576	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"135627"	231.101576	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"573000"	346.148726	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1051293"	116.054426	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"213356"	154.403476	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"652186"	231.101576	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1170677"	77.705376	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"437967"	478.222423	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"793855"	708.316723	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1693465"	248.128123	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"339557"	239.6148495	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"729792"	354.6619995	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1486895"	124.5676995	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"403387"	483.177818	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"758915"	713.272118	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1608105"	253.083518	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"318504"	242.092547	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"708744"	357.139697	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1469855"	127.045397	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1064195"	85.03269	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1268063"	263.127786	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"388826"	499.151758	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"749822"	729.246058	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1549685"	269.057458	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"306864"	250.079517	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"700380"	365.126667	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1455294"	135.032367	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"248270"	502.222426	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1218791"	272.128126	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1205951"	136.567701	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"193355"	505.15976	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"634007"	735.25406	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1137514"	275.06546	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"182992"	253.083518	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"617448"	368.130668	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1120954"	138.036368	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1404114"	92.360004	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1436232"	277.107046	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"224470"	258.11654	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1511806"	291.15909	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"413679"	261.070488	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"777962"	376.117638	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1676117"	146.023338	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"261911"	524.204368	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1236077"	294.110068	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1724234"	294.133593	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1190318"	99.687318	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1663858"	299.088988	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"172793"	537.10764	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"608459"	767.20194	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1097347"	307.01334	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"156228"	269.057458	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"596601"	384.104608	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1083989"	154.010308	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1115212"	309.027892	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1351312"	309.115507	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1020613"	313.154676	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1539105"	314.148308	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"1005559"	157.080976	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1602611"	315.062928	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1428386"	345.094438	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1162320"	177.594251	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1711869"	362.120985	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1642053"	367.07638	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1579891"	383.05032	"C09947"	"Kawain;Kavain"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"810257"	502.3083	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M"	0
"978321"	483.28991	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-H2O-H"	-19.01839
"67655"	333.864924	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M-3H"	-3.021828
"506122"	501.301024	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M-3H"	-3.021828
"883924"	166.428824	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-3H"	-3.021828
"2497"	501.301024	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M-2H"	-2.014552
"440962"	752.455174	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M-2H"	-2.014552
"819128"	250.146874	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-2H"	-2.014552
"81305"	1003.609324	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M-H"	-1.007276
"519405"	1505.917624	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M-H"	-1.007276
"896231"	501.301024	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-H"	-1.007276
"48056"	1020.635871	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M-2H+NH4"	16.019271
"487737"	1522.944171	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M-2H+NH4"	16.019271
"864932"	518.327571	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-2H+NH4"	16.019271
"32022"	1025.591266	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M-2H+Na"	20.974666
"481886"	1527.899566	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M-2H+Na"	20.974666
"854219"	523.282966	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-2H+Na"	20.974666
"1631049"	523.282966	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Na-2H"	20.974666
"105754"	519.289363	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M-H+Cl"	33.962126
"546406"	770.443513	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M-H+Cl"	33.962126
"935548"	268.135213	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-H+Cl"	33.962126
"277384"	1039.586002	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+Cl"	34.969402
"673090"	1541.894302	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+Cl"	34.969402
"1287691"	537.277702	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Cl"	34.969402
"30855"	1041.565206	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M-2H+K"	36.948606
"469440"	1543.873506	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M-2H+K"	36.948606
"847608"	539.256906	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-2H+K"	36.948606
"1570000"	539.256906	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+K-2H"	36.948606
"952414"	547.306494	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-H+HCOOH"	44.998194
"371722"	1049.614801	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+HCOOH-H"	44.998201
"357792"	1063.630451	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+Hac-H"	59.013851
"1500064"	561.322151	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Hac-H"	59.013851
"969791"	569.288451	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-H+NaCOOH"	66.980151
"124166"	537.277702	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+2Cl"	69.938804
"563726"	788.431852	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+2Cl"	69.938804
"1033619"	286.123552	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2Cl"	69.938804
"1252103"	581.227185	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Br"	78.918885
"1311269"	583.283172	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Cl+HCOOH"	80.974872
"1324391"	605.265129	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Cl+NaCOOH"	102.956829
"916542"	615.293886	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M-H+CF3COOH"	112.985586
"1289977"	651.270564	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Cl+CF3COOH"	148.962264
"1368139"	467.295624	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H-2H2O"	-35.012676
"1387825"	485.3056	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H-H2O"	-17.0027
"288607"	1005.623876	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+H"	1.007276
"682124"	1507.932176	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+H"	1.007276
"1359567"	503.315576	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H"	1.007276
"138662"	503.315576	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+2H"	2.014552
"578221"	754.469726	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+2H"	2.014552
"1049582"	252.161426	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2H"	2.014552
"217480"	335.879476	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+3H"	3.021828
"653756"	503.315576	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+3H"	3.021828
"1176624"	168.443376	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+3H"	3.021828
"435891"	1022.650423	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+NH4"	18.033823
"796886"	1524.958723	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+NH4"	18.033823
"1692486"	520.342123	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+NH4"	18.033823
"339669"	511.8288495	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+H+NH4"	19.041099
"728809"	762.9829995	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+H+NH4"	19.041099
"1489557"	260.6746995	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H+NH4"	19.041099
"402404"	1027.605818	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+Na"	22.989218
"766318"	1529.914118	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+Na"	22.989218
"1615878"	525.297518	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Na"	22.989218
"327004"	514.306547	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+H+Na"	23.996494
"716145"	765.460697	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+H+Na"	23.996494
"1472154"	263.152397	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H+Na"	23.996494
"1061024"	175.77069	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2H+Na"	25.00377
"1262704"	535.341786	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+CH3OH+H"	33.033486
"381284"	1043.579758	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+K"	38.963158
"747742"	1545.888058	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+K"	38.963158
"1547606"	541.271458	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+K"	38.963158
"306967"	522.293517	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+H+K"	39.970434
"699390"	773.447667	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+H+K"	39.970434
"1454303"	271.139367	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H+K"	39.970434
"249842"	1046.650426	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+ACN+H"	42.033826
"1217808"	544.342126	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+ACN+H"	42.033826
"1203879"	272.674701	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+ACN+2H"	43.041102
"194925"	1049.58776	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+2Na-H"	44.97116
"635215"	1551.89606	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+2Na-H"	44.97116
"1140907"	547.27946	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2Na-H"	44.97116
"182008"	525.297518	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+2Na"	45.978436
"623757"	776.451668	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+2Na"	45.978436
"1123982"	274.143368	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2Na"	45.978436
"1406412"	183.098004	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H+2Na"	46.985712
"1436342"	549.321046	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H+HCOOH"	47.012746
"231507"	530.33054	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+3H2O+2H"	56.04448
"1516288"	563.37309	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+IsoProp+H"	61.06479
"417802"	533.284488	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+Na+K"	61.952376
"776981"	784.438638	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+Na+K"	61.952376
"1674404"	282.130338	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Na+K"	61.952376
"264212"	1068.632368	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+ACN+Na"	64.015768
"1235824"	566.324068	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+ACN+Na"	64.015768
"1723620"	566.347593	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+NH4+HCOOH"	64.039293
"1191159"	190.425318	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+3Na"	68.967654
"1663239"	571.302988	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Na+HCOOH"	68.994688
"170831"	1081.53564	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+2K-H"	76.91904
"602011"	1583.84394	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+2K-H"	76.91904
"1090897"	579.22734	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2K-H"	76.91904
"149900"	541.271458	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"2M+2K"	77.926316
"594927"	792.425608	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"3M+2K"	77.926316
"1079439"	290.117308	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2K"	77.926316
"1113739"	581.241892	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2K+H"	78.933592
"1346843"	581.329507	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+DMSO+H"	79.021207
"1017560"	585.368676	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2ACN+H"	83.060376
"1535686"	586.362308	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+IsoProp+Na+H"	84.054008
"998857"	293.187976	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+2ACN+2H"	84.067652
"1602108"	587.276928	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+K+HCOOH"	84.968628
"1429715"	617.308438	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+H+CF3COOH"	115.000138
"1162742"	313.701251	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+3ACN+2H"	125.094202
"1712588"	634.334985	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+NH4+CF3COOH"	132.026685
"1648725"	639.29038	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+Na+CF3COOH"	136.98208
"1580001"	655.26432	"C09948"	"Kolanone"	"C33H42O4"	"502.3083"	"M+K+CF3COOH"	152.95602
"803805"	219.1623	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M"	0
"975268"	200.14391	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-H2O-H"	-19.01839
"63261"	145.100924	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M-3H"	-3.021828
"502861"	218.155024	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M-3H"	-3.021828
"882941"	72.046824	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-3H"	-3.021828
"1635"	218.155024	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M-2H"	-2.014552
"440339"	327.736174	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M-2H"	-2.014552
"818751"	108.573874	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-2H"	-2.014552
"78672"	437.317324	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M-H"	-1.007276
"518820"	656.479624	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M-H"	-1.007276
"895853"	218.155024	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-H"	-1.007276
"47802"	454.343871	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M-2H+NH4"	16.019271
"487838"	673.506171	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M-2H+NH4"	16.019271
"864911"	235.181571	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-2H+NH4"	16.019271
"32572"	459.299266	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M-2H+Na"	20.974666
"481996"	678.461566	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M-2H+Na"	20.974666
"855422"	240.136966	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-2H+Na"	20.974666
"1631159"	240.136966	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Na-2H"	20.974666
"105864"	236.143363	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M-H+Cl"	33.962126
"545423"	345.724513	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M-H+Cl"	33.962126
"933472"	126.562213	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-H+Cl"	33.962126
"274214"	473.294002	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+Cl"	34.969402
"669920"	692.456302	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+Cl"	34.969402
"1284521"	254.131702	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Cl"	34.969402
"25982"	475.273206	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M-2H+K"	36.948606
"464447"	694.435506	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M-2H+K"	36.948606
"844436"	256.110906	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-2H+K"	36.948606
"1565736"	256.110906	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+K-2H"	36.948606
"955440"	264.160494	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-H+HCOOH"	44.998194
"370739"	483.322801	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+HCOOH-H"	44.998201
"356809"	497.338451	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+Hac-H"	59.013851
"1507464"	278.176151	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Hac-H"	59.013851
"972817"	286.142451	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-H+NaCOOH"	66.980151
"120995"	254.131702	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+2Cl"	69.938804
"561649"	363.712852	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+2Cl"	69.938804
"1033729"	144.550552	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2Cl"	69.938804
"1253306"	298.081185	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Br"	78.918885
"1314659"	300.137172	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Cl+HCOOH"	80.974872
"1327782"	322.119129	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Cl+NaCOOH"	102.956829
"915559"	332.147886	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M-H+CF3COOH"	112.985586
"1289723"	368.124564	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Cl+CF3COOH"	148.962264
"1374809"	184.149624	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H-2H2O"	-35.012676
"1387934"	202.1596	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H-H2O"	-17.0027
"286527"	439.331876	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+H"	1.007276
"682233"	658.494176	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+H"	1.007276
"1353114"	220.169576	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H"	1.007276
"139500"	220.169576	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+2H"	2.014552
"579545"	329.750726	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+2H"	2.014552
"1048590"	110.588426	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2H"	2.014552
"214302"	147.115476	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+3H"	3.021828
"657508"	220.169576	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+3H"	3.021828
"1176005"	74.061376	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+3H"	3.021828
"435992"	456.358423	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+NH4"	18.033823
"797354"	675.520723	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+NH4"	18.033823
"1694783"	237.196123	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+NH4"	18.033823
"343425"	228.6828495	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+H+NH4"	19.041099
"730012"	338.2639995	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+H+NH4"	19.041099
"1491490"	119.1016995	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H+NH4"	19.041099
"404337"	461.313818	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+Na"	22.989218
"768497"	680.476118	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+Na"	22.989218
"1616353"	242.151518	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Na"	22.989218
"327478"	231.160547	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+H+Na"	23.996494
"717348"	340.741697	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+H+Na"	23.996494
"1472992"	121.579397	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H+Na"	23.996494
"1065509"	81.38869	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2H+Na"	25.00377
"1265000"	252.195786	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+CH3OH+H"	33.033486
"384673"	477.287758	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+K"	38.963158
"746758"	696.450058	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+K"	38.963158
"1550996"	258.125458	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+K"	38.963158
"308171"	239.147517	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+H+K"	39.970434
"702780"	348.728667	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+H+K"	39.970434
"1454413"	129.566367	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H+K"	39.970434
"249587"	480.358426	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+ACN+H"	42.033826
"1217918"	261.196126	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+ACN+H"	42.033826
"1203989"	131.101701	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+ACN+2H"	43.041102
"197952"	483.29576	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+2Na-H"	44.97116
"637512"	702.45806	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+2Na-H"	44.97116
"1144297"	264.13346	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2Na-H"	44.97116
"181025"	242.151518	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+2Na"	45.978436
"626662"	351.732668	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+2Na"	45.978436
"1121905"	132.570368	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2Na"	45.978436
"1406522"	88.716004	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H+2Na"	46.985712
"1435359"	266.175046	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H+HCOOH"	47.012746
"230524"	247.18454	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+3H2O+2H"	56.04448
"1519679"	280.22709	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+IsoProp+H"	61.06479
"418277"	250.138488	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+Na+K"	61.952376
"777092"	359.719638	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+Na+K"	61.952376
"1675609"	140.557338	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Na+K"	61.952376
"263957"	502.340368	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+ACN+Na"	64.015768
"1237027"	283.178068	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+ACN+Na"	64.015768
"1725675"	283.201593	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+NH4+HCOOH"	64.039293
"1192364"	96.043318	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+3Na"	68.967654
"1662983"	288.156988	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Na+HCOOH"	68.994688
"170575"	515.24364	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+2K-H"	76.91904
"610869"	734.40594	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+2K-H"	76.91904
"1094287"	296.08134	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2K-H"	76.91904
"156208"	258.125458	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"2M+2K"	77.926316
"596010"	367.706608	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"3M+2K"	77.926316
"1081734"	148.544308	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2K"	77.926316
"1113848"	298.095892	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2K+H"	78.933592
"1349139"	298.183507	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+DMSO+H"	79.021207
"1020830"	302.222676	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2ACN+H"	83.060376
"1537981"	303.216308	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+IsoProp+Na+H"	84.054008
"1002247"	151.614976	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+2ACN+2H"	84.067652
"1602098"	304.130928	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+K+HCOOH"	84.968628
"1429460"	334.162438	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+H+CF3COOH"	115.000138
"1162057"	172.128251	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+3ACN+2H"	125.094202
"1712454"	351.188985	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+NH4+CF3COOH"	132.026685
"1645555"	356.14438	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+Na+CF3COOH"	136.98208
"1580111"	372.11832	"C09949"	"Fabianine"	"C14H21NO"	"219.1623"	"M+K+CF3COOH"	152.95602
"807196"	240.115	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M"	0
"974419"	221.09661	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-H2O-H"	-19.01839
"63253"	159.069390666667	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M-3H"	-3.021828
"503426"	239.107724	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M-3H"	-3.021828
"883051"	79.0310573333333	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-3H"	-3.021828
"1987"	239.107724	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M-2H"	-2.014552
"440693"	359.165224	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M-2H"	-2.014552
"818010"	119.050224	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-2H"	-2.014552
"78846"	479.222724	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M-H"	-1.007276
"519501"	719.337724	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M-H"	-1.007276
"896576"	239.107724	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-H"	-1.007276
"48524"	496.249271	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M-2H+NH4"	16.019271
"487123"	736.364271	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M-2H+NH4"	16.019271
"864307"	256.134271	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-2H+NH4"	16.019271
"31589"	501.204666	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M-2H+Na"	20.974666
"479918"	741.319666	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M-2H+Na"	20.974666
"852251"	261.089666	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-2H+Na"	20.974666
"1631268"	261.089666	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Na-2H"	20.974666
"102692"	257.096063	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M-H+Cl"	33.962126
"546626"	377.153563	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M-H+Cl"	33.962126
"932121"	137.038563	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-H+Cl"	33.962126
"272133"	515.199402	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+Cl"	34.969402
"673310"	755.314402	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+Cl"	34.969402
"1287182"	275.084402	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Cl"	34.969402
"28278"	517.178606	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M-2H+K"	36.948606
"465650"	757.293606	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M-2H+K"	36.948606
"843453"	277.063606	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-2H+K"	36.948606
"1570346"	277.063606	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+K-2H"	36.948606
"955915"	285.113194	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-H+HCOOH"	44.998194
"375954"	525.228201	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+HCOOH-H"	44.998201
"359106"	539.243851	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+Hac-H"	59.013851
"1508026"	299.128851	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Hac-H"	59.013851
"973903"	307.095151	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-H+NaCOOH"	66.980151
"124386"	275.084402	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+2Cl"	69.938804
"561759"	395.141902	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+2Cl"	69.938804
"1033475"	155.026902	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2Cl"	69.938804
"1254509"	319.033885	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Br"	78.918885
"1314769"	321.089872	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Cl+HCOOH"	80.974872
"1328985"	343.071829	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Cl+NaCOOH"	102.956829
"915669"	353.100586	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M-H+CF3COOH"	112.985586
"1289833"	389.077264	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Cl+CF3COOH"	148.962264
"1374919"	205.102324	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H-2H2O"	-35.012676
"1389138"	223.1123	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H-H2O"	-17.0027
"287730"	481.237276	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+H"	1.007276
"688540"	721.352276	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+H"	1.007276
"1356503"	241.122276	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H"	1.007276
"139607"	241.122276	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+2H"	2.014552
"579168"	361.179776	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+2H"	2.014552
"1051253"	121.064776	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2H"	2.014552
"218059"	161.083942666667	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+3H"	3.021828
"656525"	241.122276	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+3H"	3.021828
"1173191"	81.0456093333333	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+3H"	3.021828
"432093"	498.263823	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+NH4"	18.033823
"797828"	738.378823	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+NH4"	18.033823
"1695622"	258.148823	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+NH4"	18.033823
"343167"	249.6355495	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+H+NH4"	19.041099
"727934"	369.6930495	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+H+NH4"	19.041099
"1483944"	129.5780495	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H+NH4"	19.041099
"404811"	503.219218	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+Na"	22.989218
"765442"	743.334218	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+Na"	22.989218
"1616458"	263.104218	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Na"	22.989218
"326129"	252.113247	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+H+Na"	23.996494
"709804"	372.170747	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+H+Na"	23.996494
"1471279"	132.055747	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H+Na"	23.996494
"1067565"	88.3729233333333	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2H+Na"	25.00377
"1265110"	273.148486	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+CH3OH+H"	33.033486
"391341"	519.193158	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+K"	38.963158
"747961"	759.308158	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+K"	38.963158
"1550013"	279.078158	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+K"	38.963158
"310468"	260.100217	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+H+K"	39.970434
"698515"	380.157717	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+H+K"	39.970434
"1452336"	140.042717	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H+K"	39.970434
"249332"	522.263826	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+ACN+H"	42.033826
"1222401"	282.148826	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+ACN+H"	42.033826
"1207986"	141.578051	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+ACN+2H"	43.041102
"201340"	525.20116	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+2Na-H"	44.97116
"639808"	765.31616	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+2Na-H"	44.97116
"1144406"	285.08616	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2Na-H"	44.97116
"180041"	263.104218	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+2Na"	45.978436
"626164"	383.161718	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+2Na"	45.978436
"1123108"	143.046718	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2Na"	45.978436
"1406632"	95.7002373333333	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H+2Na"	46.985712
"1436560"	287.127746	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H+HCOOH"	47.012746
"229535"	268.13724	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+3H2O+2H"	56.04448
"1517596"	301.17979	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+IsoProp+H"	61.06479
"418379"	271.091188	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+Na+K"	61.952376
"776100"	391.148688	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+Na+K"	61.952376
"1676812"	151.033688	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Na+K"	61.952376
"264430"	544.245768	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+ACN+Na"	64.015768
"1239688"	304.130768	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+ACN+Na"	64.015768
"1726753"	304.154293	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+NH4+HCOOH"	64.039293
"1192471"	103.027551333333	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+3Na"	68.967654
"1661270"	309.109688	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Na+HCOOH"	68.994688
"170320"	557.14904	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+2K-H"	76.91904
"607697"	797.26404	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+2K-H"	76.91904
"1092210"	317.03404	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2K-H"	76.91904
"152307"	279.078158	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"2M+2K"	77.926316
"591866"	399.135658	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"3M+2K"	77.926316
"1079656"	159.020658	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2K"	77.926316
"1109584"	319.048592	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2K+H"	78.933592
"1347062"	319.136207	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+DMSO+H"	79.021207
"1016685"	323.175376	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2ACN+H"	83.060376
"1532624"	324.169008	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+IsoProp+Na+H"	84.054008
"1000169"	162.091326	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+2ACN+2H"	84.067652
"1601234"	325.083628	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+K+HCOOH"	84.968628
"1429082"	355.115138	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+H+CF3COOH"	115.000138
"1162408"	182.604601	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+3ACN+2H"	125.094202
"1712077"	372.141685	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+NH4+CF3COOH"	132.026685
"1648945"	377.09708	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+Na+CF3COOH"	136.98208
"1580221"	393.07102	"C09950"	"Lapachenole"	"C16H16O2"	"240.115"	"M+K+CF3COOH"	152.95602
"807307"	262.0477	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M"	0
"975004"	243.02931	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-H2O-H"	-19.01839
"64455"	173.691190666667	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M-3H"	-3.021828
"507547"	261.040424	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M-3H"	-3.021828
"883525"	86.3419573333333	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-3H"	-3.021828
"3194"	261.040424	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M-2H"	-2.014552
"442388"	392.064274	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M-2H"	-2.014552
"817223"	130.016574	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-2H"	-2.014552
"79002"	523.088124	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M-H"	-1.007276
"518765"	785.135824	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M-H"	-1.007276
"895782"	261.040424	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-H"	-1.007276
"48756"	540.114671	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M-2H+NH4"	16.019271
"487209"	802.162371	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M-2H+NH4"	16.019271
"864524"	278.066971	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-2H+NH4"	16.019271
"31636"	545.070066	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M-2H+Na"	20.974666
"480029"	807.117766	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M-2H+Na"	20.974666
"850538"	283.022366	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-2H+Na"	20.974666
"1632836"	283.022366	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Na-2H"	20.974666
"102802"	279.028763	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M-H+Cl"	33.962126
"545643"	410.052613	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M-H+Cl"	33.962126
"933690"	148.004913	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-H+Cl"	33.962126
"271517"	559.064802	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+Cl"	34.969402
"673056"	821.112502	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+Cl"	34.969402
"1286932"	297.017102	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Cl"	34.969402
"31198"	561.044006	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M-2H+K"	36.948606
"468677"	823.091706	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M-2H+K"	36.948606
"842469"	298.996306	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-2H+K"	36.948606
"1570819"	298.996306	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+K-2H"	36.948606
"958094"	307.045894	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-H+HCOOH"	44.998194
"376149"	569.093601	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+HCOOH-H"	44.998201
"361398"	583.109251	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+Hac-H"	59.013851
"1503676"	321.061551	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Hac-H"	59.013851
"974205"	329.027851	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-H+NaCOOH"	66.980151
"121217"	297.017102	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+2Cl"	69.938804
"564056"	428.040952	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+2Cl"	69.938804
"1036965"	165.993252	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2Cl"	69.938804
"1256772"	340.966585	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Br"	78.918885
"1318891"	343.022572	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Cl+HCOOH"	80.974872
"1326910"	365.004529	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Cl+NaCOOH"	102.956829
"915782"	375.033286	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M-H+CF3COOH"	112.985586
"1291035"	411.009964	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Cl+CF3COOH"	148.962264
"1373936"	227.035024	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H-2H2O"	-35.012676
"1391433"	245.045	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H-H2O"	-17.0027
"293306"	525.102676	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+H"	1.007276
"685734"	787.150376	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+H"	1.007276
"1356613"	263.054976	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H"	1.007276
"138989"	263.054976	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+2H"	2.014552
"579277"	394.078826	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+2H"	2.014552
"1052094"	132.031126	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2H"	2.014552
"218899"	175.705742666667	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+3H"	3.021828
"659191"	263.054976	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+3H"	3.021828
"1173301"	88.3565093333333	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+3H"	3.021828
"437668"	542.129223	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+NH4"	18.033823
"799764"	804.176923	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+NH4"	18.033823
"1695002"	280.081523	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+NH4"	18.033823
"343281"	271.5682495	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+H+NH4"	19.041099
"728045"	402.5920995	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+H+NH4"	19.041099
"1484054"	140.5443995	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H+NH4"	19.041099
"405287"	547.084618	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+Na"	22.989218
"764823"	809.132318	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+Na"	22.989218
"1618190"	285.036918	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Na"	22.989218
"328426"	274.045947	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+H+Na"	23.996494
"713194"	405.069797	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+H+Na"	23.996494
"1469201"	143.022097	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H+Na"	23.996494
"1065728"	95.6838233333333	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2H+Na"	25.00377
"1264125"	295.081186	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+CH3OH+H"	33.033486
"391449"	563.058558	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+K"	38.963158
"750257"	825.106258	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+K"	38.963158
"1547936"	301.010858	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+K"	38.963158
"311671"	282.032917	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+H+K"	39.970434
"702998"	413.056767	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+H+K"	39.970434
"1452446"	151.009067	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H+K"	39.970434
"250903"	566.129226	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+ACN+H"	42.033826
"1223603"	304.081526	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+ACN+H"	42.033826
"1208581"	152.544401	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+ACN+2H"	43.041102
"202544"	569.06656	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+2Na-H"	44.97116
"642104"	831.11426	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+2Na-H"	44.97116
"1145488"	307.01886	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2Na-H"	44.97116
"182338"	285.036918	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+2Na"	45.978436
"625180"	416.060768	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+2Na"	45.978436
"1121030"	154.013068	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2Na"	45.978436
"1404554"	103.011137333333	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H+2Na"	46.985712
"1436670"	309.060446	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H+HCOOH"	47.012746
"229645"	290.06994	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+3H2O+2H"	56.04448
"1515519"	323.11249	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+IsoProp+H"	61.06479
"419582"	293.023888	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+Na+K"	61.952376
"778391"	424.047738	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+Na+K"	61.952376
"1678747"	162.000038	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Na+K"	61.952376
"262720"	588.111168	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+ACN+Na"	64.015768
"1239070"	326.063468	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+ACN+Na"	64.015768
"1725407"	326.086993	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+NH4+HCOOH"	64.039293
"1191978"	110.338451333333	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+3Na"	68.967654
"1661380"	331.042388	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Na+HCOOH"	68.994688
"170919"	601.01444	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+2K-H"	76.91904
"609993"	863.06214	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+2K-H"	76.91904
"1095600"	338.96674	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2K-H"	76.91904
"153510"	301.010858	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"2M+2K"	77.926316
"591977"	432.034708	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"3M+2K"	77.926316
"1082442"	169.987008	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2K"	77.926316
"1114193"	340.981292	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2K+H"	78.933592
"1349239"	341.068907	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+DMSO+H"	79.021207
"1019471"	345.108076	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2ACN+H"	83.060376
"1532734"	346.101708	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+IsoProp+Na+H"	84.054008
"1002466"	173.057676	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+2ACN+2H"	84.067652
"1600249"	347.016328	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+K+HCOOH"	84.968628
"1428832"	377.047838	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+H+CF3COOH"	115.000138
"1162156"	193.570951	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+3ACN+2H"	125.094202
"1712310"	394.074385	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+NH4+CF3COOH"	132.026685
"1647961"	399.02978	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+Na+CF3COOH"	136.98208
"1580331"	415.00372	"C09951"	"Maclurin"	"C13H10O6"	"262.0477"	"M+K+CF3COOH"	152.95602
"806323"	274.0841	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M"	0
"974790"	255.06571	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"62876"	181.715457333333	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"507657"	273.076824	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"881084"	90.3540906666667	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"2940"	273.076824	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"442499"	410.118874	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"817181"	136.034774	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"78568"	547.160924	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"518552"	821.245024	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"895645"	273.076824	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"47165"	564.187471	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"487117"	838.271571	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"864358"	290.103371	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"31457"	569.142866	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"476129"	843.226966	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"848741"	295.058766	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1623830"	295.058766	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"97078"	291.065163	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"537369"	428.107213	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"930520"	154.023113	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"268343"	583.137602	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"673530"	857.221702	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1288016"	309.053502	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"31425"	585.116806	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"468787"	859.200906	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"844402"	311.032706	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1568257"	311.032706	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"956869"	319.082294	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"376913"	593.166401	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"361394"	607.182051	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1505974"	333.097951	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"973850"	341.064251	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"124611"	309.053502	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"564896"	446.095552	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1036821"	172.011452	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1254732"	353.002985	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1317179"	355.058972	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1327020"	377.040929	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"915892"	387.069686	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1292605"	423.046364	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1369672"	239.071424	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1386076"	257.0814	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"290136"	549.175476	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"689122"	823.259576	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1354537"	275.091376	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"139099"	275.091376	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"579388"	412.133426	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1050377"	138.049326	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"214629"	183.730009333333	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"656375"	275.091376	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1177056"	92.3686426666667	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"436680"	566.202023	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"799143"	840.286123	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1693287"	292.117923	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"334638"	283.6046495	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"728155"	420.6466995	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1480515"	146.5625995	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"397375"	571.157418	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"757641"	845.241518	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1608656"	297.073318	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"319787"	286.082347	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"713304"	423.124397	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1469311"	149.040297	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1061463"	99.6959566666666	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1262048"	307.117586	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"381714"	587.131358	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"747082"	861.215458	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1545854"	313.047258	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"303029"	294.069317	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"694722"	431.111367	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1448906"	157.027267	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"243346"	590.202026	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1222616"	316.117926	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1204315"	158.562601	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"197184"	593.13936	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"642090"	867.22346	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1135146"	319.05526	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"180260"	297.073318	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"620916"	434.115368	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1119316"	160.031268	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1406851"	107.023270666667	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1438967"	321.096846	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"227569"	302.10634	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1514536"	335.14889	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"416412"	305.060288	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"778501"	442.102338	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1680318"	168.018238	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"263924"	612.183968	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1239182"	338.099868	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1727584"	338.123393	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1193872"	114.350584666667	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1662583"	343.078788	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"172450"	625.08724	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"612419"	899.17134	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1099566"	351.00314	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"156863"	313.047258	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"596667"	450.089308	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1083526"	176.005208	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1115236"	353.017692	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1350810"	353.105307	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1019823"	357.144476	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1538190"	358.138108	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"1004158"	179.075876	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1602432"	359.052728	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1428821"	389.084238	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1162553"	199.589151	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1712340"	406.110785	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1648071"	411.06618	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1580441"	427.04012	"C09952"	"Methysticin"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"807526"	308.126	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M"	0
"975590"	289.10761	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-H2O-H"	-19.01839
"63829"	204.410057333333	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M-3H"	-3.021828
"503392"	307.118724	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M-3H"	-3.021828
"881194"	101.701390666667	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-3H"	-3.021828
"1953"	307.118724	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M-2H"	-2.014552
"442242"	461.181724	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M-2H"	-2.014552
"818947"	153.055724	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-2H"	-2.014552
"78805"	615.244724	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M-H"	-1.007276
"518847"	923.370724	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M-H"	-1.007276
"895847"	307.118724	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-H"	-1.007276
"47541"	632.271271	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M-2H+NH4"	16.019271
"487427"	940.397271	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M-2H+NH4"	16.019271
"864618"	324.145271	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-2H+NH4"	16.019271
"32277"	637.226666	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M-2H+Na"	20.974666
"473687"	945.352666	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M-2H+Na"	20.974666
"849216"	329.100666	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-2H+Na"	20.974666
"1621024"	329.100666	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Na-2H"	20.974666
"95729"	325.107063	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M-H+Cl"	33.962126
"536745"	479.170063	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M-H+Cl"	33.962126
"928440"	171.044063	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-H+Cl"	33.962126
"268815"	651.221402	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+Cl"	34.969402
"665986"	959.347402	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+Cl"	34.969402
"1286786"	343.095402	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Cl"	34.969402
"30431"	653.200606	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M-2H+K"	36.948606
"465980"	961.326606	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M-2H+K"	36.948606
"845242"	345.074606	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-2H+K"	36.948606
"1569093"	345.074606	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+K-2H"	36.948606
"957343"	353.124194	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-H+HCOOH"	44.998194
"375923"	661.250201	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+HCOOH-H"	44.998201
"360781"	675.265851	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+Hac-H"	59.013851
"1503896"	367.139851	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Hac-H"	59.013851
"973752"	375.106151	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-H+NaCOOH"	66.980151
"123260"	343.095402	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+2Cl"	69.938804
"563183"	497.158402	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+2Cl"	69.938804
"1035993"	189.032402	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2Cl"	69.938804
"1256179"	387.044885	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Br"	78.918885
"1315101"	389.100872	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Cl+HCOOH"	80.974872
"1323850"	411.082829	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Cl+NaCOOH"	102.956829
"916002"	421.111586	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M-H+CF3COOH"	112.985586
"1288825"	457.088264	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Cl+CF3COOH"	148.962264
"1367955"	273.113324	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H-2H2O"	-35.012676
"1383382"	291.1233	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H-H2O"	-17.0027
"283928"	617.259276	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+H"	1.007276
"685952"	925.385276	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+H"	1.007276
"1355012"	309.133276	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H"	1.007276
"138841"	309.133276	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+2H"	2.014552
"579498"	463.196276	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+2H"	2.014552
"1052311"	155.070276	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2H"	2.014552
"218019"	206.424609333333	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+3H"	3.021828
"655392"	309.133276	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+3H"	3.021828
"1171331"	103.715942666667	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+3H"	3.021828
"436789"	634.285823	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+NH4"	18.033823
"799253"	942.411823	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+NH4"	18.033823
"1690478"	326.159823	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+NH4"	18.033823
"334748"	317.6465495	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+H+NH4"	19.041099
"728265"	471.7095495	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+H+NH4"	19.041099
"1479168"	163.5835495	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H+NH4"	19.041099
"397484"	639.241218	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+Na"	22.989218
"758480"	947.367218	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+Na"	22.989218
"1607672"	331.115218	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Na"	22.989218
"316007"	320.124247	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+H+Na"	23.996494
"714507"	474.187247	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+H+Na"	23.996494
"1469421"	166.061247	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H+Na"	23.996494
"1062666"	111.043256666667	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2H+Na"	25.00377
"1263251"	341.159486	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+CH3OH+H"	33.033486
"381823"	655.215158	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+K"	38.963158
"747192"	963.341158	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+K"	38.963158
"1547057"	347.089158	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+K"	38.963158
"303503"	328.111217	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+H+K"	39.970434
"694466"	482.174217	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+H+K"	39.970434
"1445812"	174.048217	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H+K"	39.970434
"240176"	658.285826	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+ACN+H"	42.033826
"1216165"	350.159826	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+ACN+H"	42.033826
"1204425"	175.583551	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+ACN+2H"	43.041102
"194014"	661.22316	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+2Na-H"	44.97116
"637947"	969.34916	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+2Na-H"	44.97116
"1133067"	353.09716	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2Na-H"	44.97116
"175630"	331.115218	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+2Na"	45.978436
"621026"	485.178218	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+2Na"	45.978436
"1118334"	177.052218	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2Na"	45.978436
"1404774"	118.370570666667	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H+2Na"	46.985712
"1434704"	355.138746	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H+HCOOH"	47.012746
"224398"	336.14824	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+3H2O+2H"	56.04448
"1509171"	369.19079	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+IsoProp+H"	61.06479
"413242"	339.102188	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+Na+K"	61.952376
"777518"	493.165188	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+Na+K"	61.952376
"1680423"	185.039188	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Na+K"	61.952376
"263669"	680.267768	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+ACN+Na"	64.015768
"1239654"	372.141768	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+ACN+Na"	64.015768
"1727083"	372.165293	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+NH4+HCOOH"	64.039293
"1193168"	125.697884666667	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+3Na"	68.967654
"1660506"	377.120688	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Na+HCOOH"	68.994688
"172355"	693.17104	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+2K-H"	76.91904
"612527"	1001.29704	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+2K-H"	76.91904
"1098006"	385.04504	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2K-H"	76.91904
"155916"	347.089158	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"2M+2K"	77.926316
"595964"	501.152158	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"3M+2K"	77.926316
"1083513"	193.026158	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2K"	77.926316
"1115102"	387.059592	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2K+H"	78.933592
"1349459"	387.147207	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+DMSO+H"	79.021207
"1015922"	391.186376	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2ACN+H"	83.060376
"1538421"	392.180008	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+IsoProp+Na+H"	84.054008
"1001593"	196.096826	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+2ACN+2H"	84.067652
"1601564"	393.094628	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+K+HCOOH"	84.968628
"1427224"	423.126138	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+H+CF3COOH"	115.000138
"1157512"	216.610101	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+3ACN+2H"	125.094202
"1710343"	440.152685	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+NH4+CF3COOH"	132.026685
"1644901"	445.10808	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+Na+CF3COOH"	136.98208
"1580551"	461.08202	"C09953"	"Monocerin"	"C16H20O6"	"308.126"	"M+K+CF3COOH"	152.95602
"809823"	216.0786	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M"	0
"976429"	197.06021	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-H2O-H"	-19.01839
"63570"	143.045124	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M-3H"	-3.021828
"503175"	215.071324	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M-3H"	-3.021828
"881304"	71.018924	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-3H"	-3.021828
"1089"	215.071324	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M-2H"	-2.014552
"441626"	323.110624	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M-2H"	-2.014552
"818693"	107.032024	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-2H"	-2.014552
"78882"	431.149924	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M-H"	-1.007276
"519456"	647.228524	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M-H"	-1.007276
"896160"	215.071324	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-H"	-1.007276
"47618"	448.176471	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M-2H+NH4"	16.019271
"488032"	664.255071	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M-2H+NH4"	16.019271
"864246"	232.097871	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-2H+NH4"	16.019271
"31790"	453.131866	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M-2H+Na"	20.974666
"473432"	669.210466	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M-2H+Na"	20.974666
"849650"	237.053266	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-2H+Na"	20.974666
"1620404"	237.053266	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Na-2H"	20.974666
"95471"	233.059663	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M-H+Cl"	33.962126
"535395"	341.098963	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M-H+Cl"	33.962126
"927822"	125.020363	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-H+Cl"	33.962126
"268560"	467.126602	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+Cl"	34.969402
"663909"	683.205202	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+Cl"	34.969402
"1285805"	251.048002	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Cl"	34.969402
"30177"	469.105806	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M-2H+K"	36.948606
"466820"	685.184406	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M-2H+K"	36.948606
"844259"	253.027206	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-2H+K"	36.948606
"1567017"	253.027206	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+K-2H"	36.948606
"957817"	261.076794	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-H+HCOOH"	44.998194
"376397"	477.155401	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+HCOOH-H"	44.998201
"360525"	491.171051	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+Hac-H"	59.013851
"1505830"	275.092451	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Hac-H"	59.013851
"974159"	283.058751	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-H+NaCOOH"	66.980151
"124344"	251.048002	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+2Cl"	69.938804
"564023"	359.087302	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+2Cl"	69.938804
"1034646"	143.008702	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2Cl"	69.938804
"1254588"	294.997485	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Br"	78.918885
"1313025"	297.053472	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Cl+HCOOH"	80.974872
"1321774"	319.035429	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Cl+NaCOOH"	102.956829
"917205"	329.064186	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M-H+CF3COOH"	112.985586
"1289779"	365.040864	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Cl+CF3COOH"	148.962264
"1368429"	181.065924	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H-2H2O"	-35.012676
"1383616"	199.0759	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H-H2O"	-17.0027
"283303"	433.164476	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+H"	1.007276
"679500"	649.243076	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+H"	1.007276
"1354759"	217.085876	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H"	1.007276
"138951"	217.085876	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+2H"	2.014552
"579972"	325.125176	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+2H"	2.014552
"1049502"	109.046576	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2H"	2.014552
"214849"	145.059676	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+3H"	3.021828
"658053"	217.085876	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+3H"	3.021828
"1171440"	73.033476	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+3H"	3.021828
"437628"	450.191023	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+NH4"	18.033823
"792432"	666.269623	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+NH4"	18.033823
"1688765"	234.112423	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+NH4"	18.033823
"333035"	225.5991495	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+H+NH4"	19.041099
"726187"	333.6384495	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+H+NH4"	19.041099
"1477820"	117.5598495	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H+NH4"	19.041099
"392848"	455.146418	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+Na"	22.989218
"758590"	671.225018	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+Na"	22.989218
"1603121"	239.067818	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Na"	22.989218
"315388"	228.076847	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+H+Na"	23.996494
"714617"	336.116147	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+H+Na"	23.996494
"1467344"	120.037547	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H+Na"	23.996494
"1062776"	80.36079	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2H+Na"	25.00377
"1262268"	249.112086	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+CH3OH+H"	33.033486
"381933"	471.120358	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+K"	38.963158
"742928"	687.198958	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+K"	38.963158
"1544252"	255.041758	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+K"	38.963158
"303612"	236.063817	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+H+K"	39.970434
"692509"	344.103117	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+H+K"	39.970434
"1445755"	128.024517	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H+K"	39.970434
"243566"	474.191026	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+ACN+H"	42.033826
"1216275"	258.112426	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+ACN+H"	42.033826
"1202349"	129.559851	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+ACN+2H"	43.041102
"193395"	477.12836	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+2Na-H"	44.97116
"636964"	693.20696	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+2Na-H"	44.97116
"1133907"	261.04976	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2Na-H"	44.97116
"175740"	239.067818	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+2Na"	45.978436
"613270"	347.107118	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+2Na"	45.978436
"1118077"	131.028518	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2Na"	45.978436
"1400871"	87.688104	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H+2Na"	46.985712
"1432259"	263.091346	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H+HCOOH"	47.012746
"222073"	244.10084	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+3H2O+2H"	56.04448
"1509646"	277.14339	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+IsoProp+H"	61.06479
"409704"	247.054788	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+Na+K"	61.952376
"776534"	355.094088	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+Na+K"	61.952376
"1669956"	139.015488	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Na+K"	61.952376
"266327"	496.172968	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+ACN+Na"	64.015768
"1239765"	280.094368	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+ACN+Na"	64.015768
"1726099"	280.117893	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+NH4+HCOOH"	64.039293
"1192185"	95.015418	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+3Na"	68.967654
"1663533"	285.073288	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Na+HCOOH"	68.994688
"172342"	509.07624	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+2K-H"	76.91904
"611054"	725.15484	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+2K-H"	76.91904
"1097022"	292.99764	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2K-H"	76.91904
"154812"	255.041758	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"2M+2K"	77.926316
"596317"	363.081058	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"3M+2K"	77.926316
"1082164"	147.002458	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2K"	77.926316
"1113915"	295.012192	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2K+H"	78.933592
"1346409"	295.099807	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+DMSO+H"	79.021207
"1014939"	299.138976	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2ACN+H"	83.060376
"1536345"	300.132608	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+IsoProp+Na+H"	84.054008
"1001703"	150.073126	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+2ACN+2H"	84.067652
"1598393"	301.047228	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+K+HCOOH"	84.968628
"1428428"	331.078738	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+H+CF3COOH"	115.000138
"1159809"	170.586401	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+3ACN+2H"	125.094202
"1711183"	348.105285	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+NH4+CF3COOH"	132.026685
"1645011"	353.06068	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+Na+CF3COOH"	136.98208
"1580661"	369.03462	"C09954"	"Nepodin;Musizin;1-(18-Dihydroxy-3-methylnaphthalen-2-yl)ethanone"	"C13H12O3"	"216.0786"	"M+K+CF3COOH"	152.95602
"811026"	403.0823	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M"	0
"977997"	384.06391	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-H2O-H"	-19.01839
"64414"	267.714257333333	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M-3H"	-3.021828
"506891"	402.075024	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M-3H"	-3.021828
"884694"	133.353490666667	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-3H"	-3.021828
"4360"	402.075024	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M-2H"	-2.014552
"444286"	603.616174	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M-2H"	-2.014552
"817709"	200.533874	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-2H"	-2.014552
"79113"	805.157324	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M-H"	-1.007276
"519200"	1208.239624	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M-H"	-1.007276
"896271"	402.075024	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-H"	-1.007276
"47492"	822.183871	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M-2H+NH4"	16.019271
"487655"	1225.266171	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M-2H+NH4"	16.019271
"864848"	419.101571	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-2H+NH4"	16.019271
"32633"	827.139266	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M-2H+Na"	20.974666
"474636"	1230.221566	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M-2H+Na"	20.974666
"850732"	424.056966	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-2H+Na"	20.974666
"1623066"	424.056966	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Na-2H"	20.974666
"95703"	420.063363	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M-H+Cl"	33.962126
"536232"	621.604513	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M-H+Cl"	33.962126
"928660"	218.522213	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-H+Cl"	33.962126
"269396"	841.134002	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+Cl"	34.969402
"662194"	1244.216302	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+Cl"	34.969402
"1285178"	438.051702	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Cl"	34.969402
"28465"	843.113206	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M-2H+K"	36.948606
"466200"	1246.195506	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M-2H+K"	36.948606
"840722"	440.030906	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-2H+K"	36.948606
"1567489"	440.030906	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+K-2H"	36.948606
"955369"	448.080494	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-H+HCOOH"	44.998194
"376584"	851.162801	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+HCOOH-H"	44.998201
"358927"	865.178451	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+Hac-H"	59.013851
"1505571"	462.096151	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Hac-H"	59.013851
"973114"	470.062451	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-H+NaCOOH"	66.980151
"122385"	438.051702	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+2Cl"	69.938804
"562309"	639.592852	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+2Cl"	69.938804
"1036213"	236.510552	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2Cl"	69.938804
"1256277"	482.001185	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Br"	78.918885
"1312040"	484.057172	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Cl+HCOOH"	80.974872
"1324070"	506.039129	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Cl+NaCOOH"	102.956829
"918408"	516.067886	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M-H+CF3COOH"	112.985586
"1292199"	552.044564	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Cl+CF3COOH"	148.962264
"1368900"	368.069624	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H-2H2O"	-35.012676
"1383241"	386.0796	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H-H2O"	-17.0027
"284632"	807.171876	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+H"	1.007276
"677542"	1210.254176	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+H"	1.007276
"1357417"	404.089576	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H"	1.007276
"129947"	404.089576	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+2H"	2.014552
"574975"	605.630726	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+2H"	2.014552
"1048884"	202.548426	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2H"	2.014552
"214959"	269.728809333333	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+3H"	3.021828
"655611"	404.089576	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+3H"	3.021828
"1174830"	135.368042666667	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+3H"	3.021828
"435915"	824.198423	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+NH4"	18.033823
"792542"	1227.280723	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+NH4"	18.033823
"1688875"	421.116123	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+NH4"	18.033823
"336061"	412.6028495	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+H+NH4"	19.041099
"725204"	614.1439995	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+H+NH4"	19.041099
"1480118"	211.0616995	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H+NH4"	19.041099
"393327"	829.153818	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+Na"	22.989218
"758700"	1232.236118	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+Na"	22.989218
"1604244"	426.071518	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Na"	22.989218
"316835"	415.080547	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+H+Na"	23.996494
"710351"	616.621697	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+H+Na"	23.996494
"1468547"	213.539397	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H+Na"	23.996494
"1062886"	142.695356666667	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2H+Na"	25.00377
"1262378"	436.115786	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+CH3OH+H"	33.033486
"380950"	845.127758	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+K"	38.963158
"741943"	1248.210058	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+K"	38.963158
"1545091"	442.045458	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+K"	38.963158
"303358"	423.067517	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+H+K"	39.970434
"694320"	624.608667	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+H+K"	39.970434
"1445950"	221.526367	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H+K"	39.970434
"240760"	848.198426	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+ACN+H"	42.033826
"1215655"	445.116126	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+ACN+H"	42.033826
"1203552"	223.061701	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+ACN+2H"	43.041102
"195327"	851.13576	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+2Na-H"	44.97116
"635251"	1254.21806	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+2Na-H"	44.97116
"1136568"	448.05346	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2Na-H"	44.97116
"176214"	426.071518	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+2Na"	45.978436
"615407"	627.612668	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+2Na"	45.978436
"1117336"	224.530368	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2Na"	45.978436
"1400981"	150.022670666667	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H+2Na"	46.985712
"1431641"	450.095046	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H+HCOOH"	47.012746
"222790"	431.10454	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+3H2O+2H"	56.04448
"1510849"	464.14709	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+IsoProp+H"	61.06479
"410178"	434.058488	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+Na+K"	61.952376
"777372"	635.599638	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+Na+K"	61.952376
"1668243"	232.517338	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Na+K"	61.952376
"265708"	870.180368	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+ACN+Na"	64.015768
"1240603"	467.098068	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+ACN+Na"	64.015768
"1725116"	467.121593	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+NH4+HCOOH"	64.039293
"1191931"	157.349984666667	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+3Na"	68.967654
"1664009"	472.076988	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Na+HCOOH"	68.994688
"171725"	883.08364	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+2K-H"	76.91904
"612548"	1286.16594	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+2K-H"	76.91904
"1097133"	480.00134	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2K-H"	76.91904
"155773"	442.045458	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"2M+2K"	77.926316
"595455"	643.586608	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"3M+2K"	77.926316
"1082762"	240.504308	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2K"	77.926316
"1114513"	482.015892	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2K+H"	78.933592
"1346519"	482.103507	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+DMSO+H"	79.021207
"1016142"	486.142676	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2ACN+H"	83.060376
"1536455"	487.136308	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+IsoProp+Na+H"	84.054008
"1000720"	243.574976	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+2ACN+2H"	84.067652
"1596316"	488.050928	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+K+HCOOH"	84.968628
"1428538"	518.082438	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+H+CF3COOH"	115.000138
"1159919"	264.088251	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+3ACN+2H"	125.094202
"1710564"	535.108985	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+NH4+CF3COOH"	132.026685
"1642934"	540.06438	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+Na+CF3COOH"	136.98208
"1580771"	556.03832	"C09955"	"Ochratoxin A"	"C20H18ClNO6"	"403.0823"	"M+K+CF3COOH"	152.95602
"811136"	372.0998	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M"	0
"977014"	353.08141	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-H2O-H"	-19.01839
"62922"	247.059257333333	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M-3H"	-3.021828
"507002"	371.092524	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M-3H"	-3.021828
"884804"	123.025990666667	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-3H"	-3.021828
"583"	371.092524	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M-2H"	-2.014552
"444032"	557.142424	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M-2H"	-2.014552
"818185"	185.042624	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-2H"	-2.014552
"79021"	743.192324	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M-H"	-1.007276
"519189"	1115.292124	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M-H"	-1.007276
"896260"	371.092524	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-H"	-1.007276
"48818"	760.218871	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M-2H+NH4"	16.019271
"487649"	1132.318671	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M-2H+NH4"	16.019271
"864477"	388.119071	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-2H+NH4"	16.019271
"33351"	765.174266	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M-2H+Na"	20.974666
"474382"	1137.274066	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M-2H+Na"	20.974666
"851085"	393.074466	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-2H+Na"	20.974666
"1623176"	393.074466	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Na-2H"	20.974666
"95449"	389.080863	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M-H+Cl"	33.962126
"535373"	575.130763	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M-H+Cl"	33.962126
"928406"	203.030963	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-H+Cl"	33.962126
"269143"	779.169002	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+Cl"	34.969402
"662304"	1151.268802	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+Cl"	34.969402
"1285654"	407.069202	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Cl"	34.969402
"30396"	781.148206	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M-2H+K"	36.948606
"466310"	1153.248006	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M-2H+K"	36.948606
"840832"	409.048406	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-2H+K"	36.948606
"1563225"	409.048406	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+K-2H"	36.948606
"954386"	417.097994	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-H+HCOOH"	44.998194
"376870"	789.197801	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+HCOOH-H"	44.998201
"356482"	803.213451	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+Hac-H"	59.013851
"1504586"	431.113651	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Hac-H"	59.013851
"972129"	439.079951	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-H+NaCOOH"	66.980151
"121765"	407.069202	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+2Cl"	69.938804
"562419"	593.119102	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+2Cl"	69.938804
"1034497"	221.019302	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2Cl"	69.938804
"1255777"	451.018685	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Br"	78.918885
"1308870"	453.074672	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Cl+HCOOH"	80.974872
"1322358"	475.056629	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Cl+NaCOOH"	102.956829
"915603"	485.085386	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M-H+CF3COOH"	112.985586
"1291216"	521.062064	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Cl+CF3COOH"	148.962264
"1367590"	337.087124	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H-2H2O"	-35.012676
"1384326"	355.0971	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H-H2O"	-17.0027
"285107"	745.206876	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+H"	1.007276
"677531"	1117.306676	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+H"	1.007276
"1354975"	373.107076	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H"	1.007276
"128595"	373.107076	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+2H"	2.014552
"567426"	559.156976	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+2H"	2.014552
"1048265"	187.057176	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2H"	2.014552
"211789"	249.073809333333	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+3H"	3.021828
"653170"	373.107076	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+3H"	3.021828
"1170566"	125.040542666667	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+3H"	3.021828
"435296"	762.233423	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+NH4"	18.033823
"788276"	1134.333223	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+NH4"	18.033823
"1685704"	390.133623	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+NH4"	18.033823
"335078"	381.6203495	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+H+NH4"	19.041099
"725314"	567.6702495	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+H+NH4"	19.041099
"1480228"	195.5704495	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H+NH4"	19.041099
"393192"	767.188818	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+Na"	22.989218
"759903"	1139.288618	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+Na"	22.989218
"1603382"	395.089018	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Na"	22.989218
"318039"	384.098047	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+H+Na"	23.996494
"710461"	570.147947	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+H+Na"	23.996494
"1465376"	198.048147	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H+Na"	23.996494
"1062996"	132.367856666667	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2H+Na"	25.00377
"1262487"	405.133286	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+CH3OH+H"	33.033486
"379967"	783.162758	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+K"	38.963158
"740596"	1155.262558	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+K"	38.963158
"1544471"	411.062958	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+K"	38.963158
"304197"	392.085017	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+H+K"	39.970434
"693338"	578.134917	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+H+K"	39.970434
"1447520"	206.035117	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H+K"	39.970434
"238680"	786.233426	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+ACN+H"	42.033826
"1214306"	414.133626	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+ACN+H"	42.033826
"1202569"	207.570451	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+ACN+2H"	43.041102
"194344"	789.17076	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+2Na-H"	44.97116
"634268"	1161.27056	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+2Na-H"	44.97116
"1135585"	417.07096	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2Na-H"	44.97116
"178148"	395.089018	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+2Na"	45.978436
"613818"	581.138918	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+2Na"	45.978436
"1119027"	209.039118	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2Na"	45.978436
"1399876"	139.695170666667	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H+2Na"	46.985712
"1431381"	419.112546	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H+HCOOH"	47.012746
"222535"	400.12204	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+3H2O+2H"	56.04448
"1510595"	433.16459	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+IsoProp+H"	61.06479
"409925"	403.075988	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+Na+K"	61.952376
"772372"	589.125888	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+Na+K"	61.952376
"1669811"	217.026088	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Na+K"	61.952376
"266836"	808.215368	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+ACN+Na"	64.015768
"1241002"	436.115568	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+ACN+Na"	64.015768
"1728144"	436.139093	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+NH4+HCOOH"	64.039293
"1193255"	147.022484666667	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+3Na"	68.967654
"1663389"	441.094488	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Na+HCOOH"	68.994688
"172446"	821.11864	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+2K-H"	76.91904
"611642"	1193.21844	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+2K-H"	76.91904
"1098461"	449.01884	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2K-H"	76.91904
"156253"	411.062958	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"2M+2K"	77.926316
"596177"	597.112858	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"3M+2K"	77.926316
"1083364"	225.013058	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2K"	77.926316
"1114986"	451.033392	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2K+H"	78.933592
"1346629"	451.121007	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+DMSO+H"	79.021207
"1020143"	455.160176	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2ACN+H"	83.060376
"1537658"	456.153808	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+IsoProp+Na+H"	84.054008
"998643"	228.083726	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+2ACN+2H"	84.067652
"1599707"	457.068428	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+K+HCOOH"	84.968628
"1428648"	487.099938	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+H+CF3COOH"	115.000138
"1160029"	248.597001	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+3ACN+2H"	125.094202
"1711766"	504.126485	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+NH4+CF3COOH"	132.026685
"1643044"	509.08188	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+Na+CF3COOH"	136.98208
"1580881"	525.05582	"C09956"	"Ohioensin-A"	"C23H16O5"	"372.0998"	"M+K+CF3COOH"	152.95602
"810153"	149.0477	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M"	0
"976031"	130.02931	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-H2O-H"	-19.01839
"63084"	98.3578573333333	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M-3H"	-3.021828
"503013"	148.040424	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M-3H"	-3.021828
"880103"	48.6752906666667	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-3H"	-3.021828
"118"	148.040424	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M-2H"	-2.014552
"442319"	222.564274	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M-2H"	-2.014552
"817319"	73.516574	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-2H"	-2.014552
"78765"	297.088124	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M-H"	-1.007276
"518723"	446.135824	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M-H"	-1.007276
"896249"	148.040424	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-H"	-1.007276
"48074"	314.114671	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M-2H+NH4"	16.019271
"487432"	463.162371	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M-2H+NH4"	16.019271
"864587"	165.066971	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-2H+NH4"	16.019271
"31648"	319.070066	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M-2H+Na"	20.974666
"474855"	468.117766	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M-2H+Na"	20.974666
"849739"	170.022366	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-2H+Na"	20.974666
"1620369"	170.022366	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Na-2H"	20.974666
"94460"	166.028763	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M-H+Cl"	33.962126
"534669"	240.552613	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M-H+Cl"	33.962126
"927785"	91.504913	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-H+Cl"	33.962126
"267676"	333.064802	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+Cl"	34.969402
"662171"	482.112502	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+Cl"	34.969402
"1285035"	184.017102	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Cl"	34.969402
"28320"	335.044006	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M-2H+K"	36.948606
"465327"	484.091706	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M-2H+K"	36.948606
"837662"	185.996306	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-2H+K"	36.948606
"1564428"	185.996306	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+K-2H"	36.948606
"955225"	194.045894	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-H+HCOOH"	44.998194
"377007"	343.093601	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+HCOOH-H"	44.998201
"357687"	357.109251	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+Hac-H"	59.013851
"1505426"	208.061551	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Hac-H"	59.013851
"973577"	216.027851	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-H+NaCOOH"	66.980151
"124551"	184.017102	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+2Cl"	69.938804
"562529"	258.540952	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+2Cl"	69.938804
"1033514"	109.493252	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2Cl"	69.938804
"1254186"	227.966585	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Br"	78.918885
"1310075"	230.022572	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Cl+HCOOH"	80.974872
"1328665"	252.004529	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Cl+NaCOOH"	102.956829
"921909"	262.033286	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M-H+CF3COOH"	112.985586
"1290233"	298.009964	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Cl+CF3COOH"	148.962264
"1367297"	114.035024	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H-2H2O"	-35.012676
"1383339"	132.045	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H-H2O"	-17.0027
"285217"	299.102676	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+H"	1.007276
"678732"	448.150376	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+H"	1.007276
"1354355"	150.054976	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H"	1.007276
"127249"	150.054976	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+2H"	2.014552
"567903"	224.578826	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+2H"	2.014552
"1047279"	75.531126	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2H"	2.014552
"211899"	100.372409333333	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+3H"	3.021828
"652551"	150.054976	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+3H"	3.021828
"1170312"	50.6898426666667	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+3H"	3.021828
"433583"	316.129223	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+NH4"	18.033823
"787658"	465.176923	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+NH4"	18.033823
"1682898"	167.081523	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+NH4"	18.033823
"331907"	158.5682495	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+H+NH4"	19.041099
"725424"	233.0920995	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+H+NH4"	19.041099
"1483617"	84.0443995	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H+NH4"	19.041099
"393550"	321.084618	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+Na"	22.989218
"760013"	470.132318	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+Na"	22.989218
"1603493"	172.036918	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Na"	22.989218
"315962"	161.045947	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+H+Na"	23.996494
"710935"	235.569797	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+H+Na"	23.996494
"1464027"	86.522097	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H+Na"	23.996494
"1062013"	58.0171566666667	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2H+Na"	25.00377
"1262597"	182.081186	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+CH3OH+H"	33.033486
"381170"	337.058558	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+K"	38.963158
"740706"	486.106258	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+K"	38.963158
"1542029"	188.010858	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+K"	38.963158
"301755"	169.032917	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+H+K"	39.970434
"694541"	243.556767	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+H+K"	39.970434
"1446414"	94.509067	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H+K"	39.970434
"236601"	340.129226	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+ACN+H"	42.033826
"1213323"	191.081526	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+ACN+H"	42.033826
"1200492"	96.044401	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+ACN+2H"	43.041102
"196642"	343.06656	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+2Na-H"	44.97116
"636202"	492.11426	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+2Na-H"	44.97116
"1135332"	194.01886	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2Na-H"	44.97116
"178625"	172.036918	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+2Na"	45.978436
"614168"	246.560768	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+2Na"	45.978436
"1118410"	97.513068	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2Na"	45.978436
"1400591"	65.3444706666667	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H+2Na"	46.985712
"1432220"	196.060446	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H+HCOOH"	47.012746
"221559"	177.06994	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+3H2O+2H"	56.04448
"1509619"	210.11249	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+IsoProp+H"	61.06479
"410759"	180.023888	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+Na+K"	61.952376
"770780"	254.547738	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+Na+K"	61.952376
"1669921"	105.500038	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Na+K"	61.952376
"267028"	362.111168	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+ACN+Na"	64.015768
"1241267"	213.063468	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+ACN+Na"	64.015768
"1727525"	213.086993	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+NH4+HCOOH"	64.039293
"1193813"	72.6717846666667	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+3Na"	68.967654
"1663863"	218.042388	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Na+HCOOH"	68.994688
"172597"	375.01444	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+2K-H"	76.91904
"611753"	524.06214	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+2K-H"	76.91904
"1099543"	225.96674	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2K-H"	76.91904
"156725"	188.010858	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"2M+2K"	77.926316
"596852"	262.534708	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"3M+2K"	77.926316
"1083835"	113.487008	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2K"	77.926316
"1115096"	227.981292	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2K+H"	78.933592
"1346739"	228.068907	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+DMSO+H"	79.021207
"1021225"	232.108076	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2ACN+H"	83.060376
"1537768"	233.101708	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+IsoProp+Na+H"	84.054008
"1002034"	116.557676	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+2ACN+2H"	84.067652
"1600911"	234.016328	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+K+HCOOH"	84.968628
"1427663"	264.047838	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+H+CF3COOH"	115.000138
"1160139"	137.070951	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+3ACN+2H"	125.094202
"1711148"	281.074385	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+NH4+CF3COOH"	132.026685
"1645341"	286.02978	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+Na+CF3COOH"	136.98208
"1580991"	302.00372	"C09957"	"Gentianadine"	"C8H7NO2"	"149.0477"	"M+K+CF3COOH"	152.95602
"810263"	236.0685	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M"	0
"976141"	217.05011	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-H2O-H"	-19.01839
"63198"	156.371724	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M-3H"	-3.021828
"503529"	235.061224	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M-3H"	-3.021828
"880649"	77.682224	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-3H"	-3.021828
"393"	235.061224	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M-2H"	-2.014552
"443158"	353.095474	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M-2H"	-2.014552
"817672"	117.026974	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-2H"	-2.014552
"80333"	471.129724	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M-H"	-1.007276
"519403"	707.198224	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M-H"	-1.007276
"896482"	235.061224	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-H"	-1.007276
"47821"	488.156271	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M-2H+NH4"	16.019271
"487742"	724.224771	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M-2H+NH4"	16.019271
"864820"	252.087771	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-2H+NH4"	16.019271
"32227"	493.111666	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M-2H+Na"	20.974666
"474965"	729.180166	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M-2H+Na"	20.974666
"852765"	257.043166	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-2H+Na"	20.974666
"1620843"	257.043166	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Na-2H"	20.974666
"95911"	253.049563	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M-H+Cl"	33.962126
"535471"	371.083813	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M-H+Cl"	33.962126
"928255"	135.015313	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-H+Cl"	33.962126
"268270"	507.106402	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+Cl"	34.969402
"662160"	743.174902	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+Cl"	34.969402
"1286240"	271.037902	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Cl"	34.969402
"28795"	509.085606	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M-2H+K"	36.948606
"466531"	745.154106	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M-2H+K"	36.948606
"843239"	273.017106	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-2H+K"	36.948606
"1564538"	273.017106	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+K-2H"	36.948606
"954971"	281.066694	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-H+HCOOH"	44.998194
"377096"	517.135201	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+HCOOH-H"	44.998201
"358526"	531.150851	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+Hac-H"	59.013851
"1505900"	295.082351	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Hac-H"	59.013851
"973079"	303.048651	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-H+NaCOOH"	66.980151
"124416"	271.037902	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+2Cl"	69.938804
"563731"	389.072152	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+2Cl"	69.938804
"1035810"	153.003652	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2Cl"	69.938804
"1255755"	314.987385	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Br"	78.918885
"1310184"	317.043372	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Cl+HCOOH"	80.974872
"1329868"	339.025329	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Cl+NaCOOH"	102.956829
"922019"	349.054086	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M-H+CF3COOH"	112.985586
"1290343"	385.030764	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Cl+CF3COOH"	148.962264
"1367148"	201.055824	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H-2H2O"	-35.012676
"1383816"	219.0658	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H-H2O"	-17.0027
"287514"	473.144276	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+H"	1.007276
"678477"	709.212776	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+H"	1.007276
"1355194"	237.075776	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H"	1.007276
"129546"	237.075776	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+2H"	2.014552
"569106"	355.110026	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+2H"	2.014552
"1044109"	119.041526	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2H"	2.014552
"213832"	158.386276	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+3H"	3.021828
"652661"	237.075776	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+3H"	3.021828
"1168600"	79.696776	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+3H"	3.021828
"430778"	490.170823	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+NH4"	18.033823
"791777"	726.239323	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+NH4"	18.033823
"1683737"	254.102323	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+NH4"	18.033823
"334201"	245.5890495	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+H+NH4"	19.041099
"725534"	363.6232995	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+H+NH4"	19.041099
"1480447"	127.5547995	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H+NH4"	19.041099
"392936"	495.126218	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+Na"	22.989218
"755870"	731.194718	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+Na"	22.989218
"1603842"	259.057718	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Na"	22.989218
"315098"	248.066747	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+H+Na"	23.996494
"707097"	366.100997	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+H+Na"	23.996494
"1461579"	130.032497	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H+Na"	23.996494
"1052833"	87.02409	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2H+Na"	25.00377
"1258694"	269.101986	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+CH3OH+H"	33.033486
"378242"	511.100158	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+K"	38.963158
"738911"	747.168658	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+K"	38.963158
"1541775"	275.031658	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+K"	38.963158
"301501"	256.053717	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+H+K"	39.970434
"692827"	374.087967	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+H+K"	39.970434
"1445918"	138.019467	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H+K"	39.970434
"236471"	514.170826	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+ACN+H"	42.033826
"1213798"	278.102326	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+ACN+H"	42.033826
"1200602"	139.554801	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+ACN+2H"	43.041102
"196752"	517.10816	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+2Na-H"	44.97116
"638498"	753.17666	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+2Na-H"	44.97116
"1135442"	281.03966	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2Na-H"	44.97116
"178735"	259.057718	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+2Na"	45.978436
"615131"	377.091968	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+2Na"	45.978436
"1120707"	141.023468	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2Na"	45.978436
"1399611"	94.351404	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H+2Na"	46.985712
"1431606"	283.081246	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H+HCOOH"	47.012746
"221909"	264.09074	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+3H2O+2H"	56.04448
"1509849"	297.13329	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+IsoProp+H"	61.06479
"410869"	267.044688	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+Na+K"	61.952376
"772591"	385.078938	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+Na+K"	61.952376
"1670031"	149.010438	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Na+K"	61.952376
"266771"	536.152768	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+ACN+Na"	64.015768
"1241135"	300.084268	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+ACN+Na"	64.015768
"1726784"	300.107793	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+NH4+HCOOH"	64.039293
"1193109"	101.678718	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+3Na"	68.967654
"1663244"	305.063188	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Na+HCOOH"	68.994688
"171930"	549.05604	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+2K-H"	76.91904
"610766"	785.12454	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+2K-H"	76.91904
"1099412"	312.98754	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2K-H"	76.91904
"156756"	275.031658	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"2M+2K"	77.926316
"596681"	393.065908	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"3M+2K"	77.926316
"1084028"	156.997408	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2K"	77.926316
"1115204"	315.002092	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2K+H"	78.933592
"1343569"	315.089707	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+DMSO+H"	79.021207
"1021013"	319.128876	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2ACN+H"	83.060376
"1537879"	320.122508	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+IsoProp+Na+H"	84.054008
"1003237"	160.068076	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+2ACN+2H"	84.067652
"1599927"	321.037128	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+K+HCOOH"	84.968628
"1428138"	351.068638	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+H+CF3COOH"	115.000138
"1162072"	180.581351	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+3ACN+2H"	125.094202
"1711258"	368.095185	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+NH4+CF3COOH"	132.026685
"1645451"	373.05058	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+Na+CF3COOH"	136.98208
"1581101"	389.02452	"C09958"	"Orthosporin"	"C12H12O5"	"236.0685"	"M+K+CF3COOH"	152.95602
"810373"	480.1632	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M"	0
"976978"	461.14481	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-H2O-H"	-19.01839
"62925"	319.101524	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M-3H"	-3.021828
"502836"	479.155924	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M-3H"	-3.021828
"880392"	159.047124	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-3H"	-3.021828
"904"	479.155924	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M-2H"	-2.014552
"442174"	719.237524	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M-2H"	-2.014552
"820339"	239.074324	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-2H"	-2.014552
"79964"	959.319124	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M-H"	-1.007276
"520857"	1439.482324	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M-H"	-1.007276
"897690"	479.155924	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-H"	-1.007276
"47928"	976.345671	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M-2H+NH4"	16.019271
"490167"	1456.508871	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M-2H+NH4"	16.019271
"865051"	496.182471	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-2H+NH4"	16.019271
"32341"	981.301066	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M-2H+Na"	20.974666
"475440"	1461.464266	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M-2H+Na"	20.974666
"852875"	501.137866	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-2H+Na"	20.974666
"1620954"	501.137866	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Na-2H"	20.974666
"98214"	497.144263	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M-H+Cl"	33.962126
"537775"	737.225863	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M-H+Cl"	33.962126
"931287"	257.062663	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-H+Cl"	33.962126
"269114"	995.295802	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+Cl"	34.969402
"662271"	1475.459002	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+Cl"	34.969402
"1285256"	515.132602	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Cl"	34.969402
"28907"	997.275006	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M-2H+K"	36.948606
"469196"	1477.438206	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M-2H+K"	36.948606
"842256"	517.111806	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-2H+K"	36.948606
"1567565"	517.111806	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+K-2H"	36.948606
"957634"	525.161394	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-H+HCOOH"	44.998194
"376904"	1005.324601	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+HCOOH-H"	44.998201
"361250"	1019.340251	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+Hac-H"	59.013851
"1507846"	539.177051	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Hac-H"	59.013851
"974072"	547.143351	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-H+NaCOOH"	66.980151
"121732"	515.132602	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+2Cl"	69.938804
"565061"	755.214202	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+2Cl"	69.938804
"1035559"	275.051002	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2Cl"	69.938804
"1256229"	559.082085	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Br"	78.918885
"1312481"	561.138072	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Cl+HCOOH"	80.974872
"1325605"	583.120029	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Cl+NaCOOH"	102.956829
"915570"	593.148786	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M-H+CF3COOH"	112.985586
"1295556"	629.125464	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Cl+CF3COOH"	148.962264
"1367167"	445.150524	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H-2H2O"	-35.012676
"1385020"	463.1605	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H-H2O"	-17.0027
"285438"	961.333676	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+H"	1.007276
"677130"	1441.496876	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+H"	1.007276
"1353116"	481.170476	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H"	1.007276
"130379"	481.170476	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+2H"	2.014552
"571040"	721.252076	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+2H"	2.014552
"1047499"	241.088876	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2H"	2.014552
"215035"	321.116076	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+3H"	3.021828
"652772"	481.170476	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+3H"	3.021828
"1171991"	161.061676	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+3H"	3.021828
"434169"	978.360223	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+NH4"	18.033823
"790794"	1458.523423	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+NH4"	18.033823
"1687127"	498.197023	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+NH4"	18.033823
"336498"	489.6837495	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+H+NH4"	19.041099
"732205"	729.7653495	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+H+NH4"	19.041099
"1487119"	249.6021495	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H+NH4"	19.041099
"393891"	983.315618	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+Na"	22.989218
"755491"	1463.478818	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+Na"	22.989218
"1603470"	503.152418	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Na"	22.989218
"317277"	492.161447	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+H+Na"	23.996494
"707872"	732.243047	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+H+Na"	23.996494
"1462790"	252.079847	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H+Na"	23.996494
"1053722"	168.38899	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2H+Na"	25.00377
"1258441"	513.196686	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+CH3OH+H"	33.033486
"379206"	999.289558	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+K"	38.963158
"739226"	1479.452758	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+K"	38.963158
"1542251"	519.126358	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+K"	38.963158
"301247"	500.148417	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+H+K"	39.970434
"694031"	740.230017	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+H+K"	39.970434
"1446759"	260.066817	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H+K"	39.970434
"238646"	1002.360226	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+ACN+H"	42.033826
"1215731"	522.197026	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+ACN+H"	42.033826
"1205085"	261.602151	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+ACN+2H"	43.041102
"197956"	1005.29756	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+2Na-H"	44.97116
"635328"	1485.46076	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+2Na-H"	44.97116
"1135552"	525.13436	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2Na-H"	44.97116
"179938"	503.152418	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+2Na"	45.978436
"614634"	743.234018	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+2Na"	45.978436
"1116681"	263.070818	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2Na"	45.978436
"1399234"	175.716304	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H+2Na"	46.985712
"1432081"	527.175946	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H+HCOOH"	47.012746
"221411"	508.18544	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+3H2O+2H"	56.04448
"1509110"	541.22799	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+IsoProp+H"	61.06479
"411715"	511.139388	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+Na+K"	61.952376
"772340"	751.220988	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+Na+K"	61.952376
"1666847"	271.057788	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Na+K"	61.952376
"266881"	1024.342168	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+ACN+Na"	64.015768
"1240929"	544.178968	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+ACN+Na"	64.015768
"1727865"	544.202493	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+NH4+HCOOH"	64.039293
"1192369"	183.043618	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+3Na"	68.967654
"1663354"	549.157888	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Na+HCOOH"	68.994688
"172404"	1037.24544	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+2K-H"	76.91904
"610512"	1517.40864	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+2K-H"	76.91904
"1098304"	557.08224	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2K-H"	76.91904
"156700"	519.126358	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"2M+2K"	77.926316
"596587"	759.207958	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"3M+2K"	77.926316
"1083892"	279.044758	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2K"	77.926316
"1114588"	559.096792	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2K+H"	78.933592
"1350484"	559.184407	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+DMSO+H"	79.021207
"1018774"	563.223576	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2ACN+H"	83.060376
"1539085"	564.217208	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+IsoProp+Na+H"	84.054008
"1002255"	282.115426	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+2ACN+2H"	84.067652
"1599674"	565.131828	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+K+HCOOH"	84.968628
"1427881"	595.163338	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+H+CF3COOH"	115.000138
"1159265"	302.628701	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+3ACN+2H"	125.094202
"1711004"	612.189885	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+NH4+CF3COOH"	132.026685
"1645561"	617.14528	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+Na+CF3COOH"	136.98208
"1581211"	633.11922	"C09959"	"Paeoniflorin"	"C23H28O11"	"480.1632"	"M+K+CF3COOH"	152.95602
"811576"	141.0426	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M"	0
"976724"	122.02421	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-H2O-H"	-19.01839
"63382"	93.021124	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M-3H"	-3.021828
"503795"	140.035324	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M-3H"	-3.021828
"880869"	46.006924	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-3H"	-3.021828
"2720"	140.035324	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M-2H"	-2.014552
"444472"	210.556624	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M-2H"	-2.014552
"820449"	69.514024	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-2H"	-2.014552
"79709"	281.077924	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M-H"	-1.007276
"520725"	422.120524	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M-H"	-1.007276
"897557"	140.035324	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-H"	-1.007276
"49624"	298.104471	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M-2H+NH4"	16.019271
"488574"	439.147071	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M-2H+NH4"	16.019271
"866986"	157.061871	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-2H+NH4"	16.019271
"34037"	303.059866	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M-2H+Na"	20.974666
"479923"	444.102466	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M-2H+Na"	20.974666
"852255"	162.017266	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-2H+Na"	20.974666
"1621793"	162.017266	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Na-2H"	20.974666
"97953"	158.023663	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M-H+Cl"	33.962126
"536059"	228.544963	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M-H+Cl"	33.962126
"934677"	87.502363	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-H+Cl"	33.962126
"272140"	317.054602	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+Cl"	34.969402
"661165"	458.097202	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+Cl"	34.969402
"1285002"	176.012002	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Cl"	34.969402
"29383"	319.033806	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M-2H+K"	36.948606
"469671"	460.076406	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M-2H+K"	36.948606
"843459"	177.991206	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-2H+K"	36.948606
"1570229"	177.991206	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+K-2H"	36.948606
"958117"	186.040794	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-H+HCOOH"	44.998194
"376884"	327.083401	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+HCOOH-H"	44.998201
"360944"	341.099051	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+Hac-H"	59.013851
"1508390"	200.056451	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Hac-H"	59.013851
"973544"	208.022751	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-H+NaCOOH"	66.980151
"125247"	176.012002	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+2Cl"	69.938804
"565636"	246.533302	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+2Cl"	69.938804
"1036155"	105.490702	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2Cl"	69.938804
"1257032"	219.961485	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Br"	78.918885
"1313684"	222.017472	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Cl+HCOOH"	80.974872
"1330089"	243.999429	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Cl+NaCOOH"	102.956829
"922239"	254.028186	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M-H+CF3COOH"	112.985586
"1290200"	290.004864	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Cl+CF3COOH"	148.962264
"1370549"	106.029924	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H-2H2O"	-35.012676
"1390236"	124.0399	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H-H2O"	-17.0027
"288829"	283.092476	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+H"	1.007276
"682345"	424.135076	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+H"	1.007276
"1358695"	142.049876	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H"	1.007276
"130490"	142.049876	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+2H"	2.014552
"569685"	212.571176	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+2H"	2.014552
"1039218"	71.528576	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2H"	2.014552
"214416"	95.035676	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+3H"	3.021828
"652882"	142.049876	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+3H"	3.021828
"1166633"	48.021476	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+3H"	3.021828
"428811"	300.119023	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+NH4"	18.033823
"794184"	441.161623	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+NH4"	18.033823
"1686144"	159.076423	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+NH4"	18.033823
"335515"	150.5631495	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+H+NH4"	19.041099
"734502"	221.0844495	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+H+NH4"	19.041099
"1485041"	80.0418495	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H+NH4"	19.041099
"399347"	305.074418	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+Na"	22.989218
"760343"	446.117018	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+Na"	22.989218
"1605160"	164.031818	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Na"	22.989218
"318844"	153.040847	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+H+Na"	23.996494
"713454"	223.562147	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+H+Na"	23.996494
"1464357"	82.519547	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H+Na"	23.996494
"1055781"	55.34879	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2H+Na"	25.00377
"1259282"	174.076086	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+CH3OH+H"	33.033486
"383689"	321.048358	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+K"	38.963158
"740673"	462.090958	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+K"	38.963158
"1543454"	180.005758	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+K"	38.963158
"300630"	161.027817	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+H+K"	39.970434
"692320"	231.549117	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+H+K"	39.970434
"1447598"	90.506517	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H+K"	39.970434
"242037"	324.119026	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+ACN+H"	42.033826
"1218028"	183.076426	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+ACN+H"	42.033826
"1204102"	92.041851	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+ACN+2H"	43.041102
"199159"	327.05636	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+2Na-H"	44.97116
"636531"	468.09896	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+2Na-H"	44.97116
"1133475"	186.01376	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2Na-H"	44.97116
"181141"	164.031818	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+2Na"	45.978436
"613892"	234.553118	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+2Na"	45.978436
"1116910"	93.510518	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2Na"	45.978436
"1399467"	62.676104	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H+2Na"	46.985712
"1432191"	188.055346	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H+HCOOH"	47.012746
"221516"	169.06484	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+3H2O+2H"	56.04448
"1509585"	202.10739	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+IsoProp+H"	61.06479
"411825"	172.018788	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+Na+K"	61.952376
"770751"	242.540088	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+Na+K"	61.952376
"1666958"	101.497488	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Na+K"	61.952376
"266627"	346.100968	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+ACN+Na"	64.015768
"1240068"	205.058368	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+ACN+Na"	64.015768
"1727369"	205.081893	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+NH4+HCOOH"	64.039293
"1191385"	70.003418	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+3Na"	68.967654
"1663464"	210.037288	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Na+HCOOH"	68.994688
"171421"	359.00424	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+2K-H"	76.91904
"609526"	500.04684	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+2K-H"	76.91904
"1096958"	217.96164	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2K-H"	76.91904
"155231"	180.005758	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"2M+2K"	77.926316
"595519"	250.527058	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"3M+2K"	77.926316
"1081858"	109.484458	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2K"	77.926316
"1113972"	219.976192	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2K+H"	78.933592
"1349867"	220.063807	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+DMSO+H"	79.021207
"1019612"	224.102976	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2ACN+H"	83.060376
"1537008"	225.096608	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+IsoProp+Na+H"	84.054008
"1003459"	112.555126	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+2ACN+2H"	84.067652
"1601243"	226.011228	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+K+HCOOH"	84.968628
"1425807"	256.042738	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+H+CF3COOH"	115.000138
"1160471"	133.068401	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+3ACN+2H"	125.094202
"1710385"	273.069285	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+NH4+CF3COOH"	132.026685
"1645671"	278.02468	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+Na+CF3COOH"	136.98208
"1581321"	293.99862	"C09960"	"Gentianaine"	"C6H7NO3"	"141.0426"	"M+K+CF3COOH"	152.95602
"805126"	205.0739	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M"	0
"974763"	186.05551	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-H2O-H"	-19.01839
"65434"	135.708657333333	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M-3H"	-3.021828
"503901"	204.066624	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M-3H"	-3.021828
"881457"	67.3506906666667	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-3H"	-3.021828
"1245"	204.066624	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M-2H"	-2.014552
"444582"	306.603574	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M-2H"	-2.014552
"820559"	101.529674	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-2H"	-2.014552
"80545"	409.140524	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M-H"	-1.007276
"521563"	614.214424	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M-H"	-1.007276
"897179"	204.066624	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-H"	-1.007276
"49002"	426.167071	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M-2H+NH4"	16.019271
"489290"	631.240971	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M-2H+NH4"	16.019271
"865756"	221.093171	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-2H+NH4"	16.019271
"31752"	431.122466	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M-2H+Na"	20.974666
"480034"	636.196366	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M-2H+Na"	20.974666
"853461"	226.048566	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-2H+Na"	20.974666
"1621903"	226.048566	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Na-2H"	20.974666
"98064"	222.054963	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M-H+Cl"	33.962126
"537626"	324.591913	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M-H+Cl"	33.962126
"934787"	119.518013	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-H+Cl"	33.962126
"272250"	445.117202	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+Cl"	34.969402
"662854"	650.191102	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+Cl"	34.969402
"1284747"	240.043302	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Cl"	34.969402
"29128"	447.096406	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M-2H+K"	36.948606
"469781"	652.170306	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M-2H+K"	36.948606
"844662"	242.022506	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-2H+K"	36.948606
"1571178"	242.022506	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+K-2H"	36.948606
"957946"	250.072094	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-H+HCOOH"	44.998194
"376897"	455.146001	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+HCOOH-H"	44.998201
"360933"	469.161651	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+Hac-H"	59.013851
"1508148"	264.087751	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Hac-H"	59.013851
"974090"	272.054051	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-H+NaCOOH"	66.980151
"124018"	240.043302	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+2Cl"	69.938804
"565487"	342.580252	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+2Cl"	69.938804
"1036986"	137.506352	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2Cl"	69.938804
"1257000"	283.992785	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Br"	78.918885
"1312700"	286.048772	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Cl+HCOOH"	80.974872
"1330199"	308.030729	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Cl+NaCOOH"	102.956829
"919069"	318.059486	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M-H+CF3COOH"	112.985586
"1289576"	354.036164	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Cl+CF3COOH"	148.962264
"1369200"	170.061224	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H-2H2O"	-35.012676
"1385605"	188.0712	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H-H2O"	-17.0027
"287845"	411.155076	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+H"	1.007276
"682455"	616.228976	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+H"	1.007276
"1355524"	206.081176	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H"	1.007276
"131693"	206.081176	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+2H"	2.014552
"571615"	308.618126	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+2H"	2.014552
"1041150"	103.544226	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2H"	2.014552
"216712"	137.723209333333	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+3H"	3.021828
"652992"	206.081176	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+3H"	3.021828
"1167836"	69.3652426666667	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+3H"	3.021828
"428921"	428.181623	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+NH4"	18.033823
"791013"	633.255523	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+NH4"	18.033823
"1690624"	223.107723	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+NH4"	18.033823
"333802"	214.5944495	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+H+NH4"	19.041099
"725127"	317.1313995	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+H+NH4"	19.041099
"1484057"	112.0574995	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H+NH4"	19.041099
"396177"	433.137018	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+Na"	22.989218
"759360"	638.210918	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+Na"	22.989218
"1607456"	228.063118	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Na"	22.989218
"318590"	217.072147	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+H+Na"	23.996494
"713200"	319.609097	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+H+Na"	23.996494
"1464832"	114.535197	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H+Na"	23.996494
"1058077"	76.6925566666667	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2H+Na"	25.00377
"1259757"	238.107386	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+CH3OH+H"	33.033486
"383799"	449.110958	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+K"	38.963158
"742240"	654.184858	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+K"	38.963158
"1543562"	244.037058	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+K"	38.963158
"302926"	225.059117	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+H+K"	39.970434
"694981"	327.596067	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+H+K"	39.970434
"1449166"	122.522167	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H+K"	39.970434
"242147"	452.181626	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+ACN+H"	42.033826
"1220324"	247.107726	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+ACN+H"	42.033826
"1205305"	124.057501	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+ACN+2H"	43.041102
"194893"	455.11896	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+2Na-H"	44.97116
"639920"	660.19286	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+2Na-H"	44.97116
"1135772"	250.04506	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2Na-H"	44.97116
"180158"	228.063118	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+2Na"	45.978436
"617529"	330.600068	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+2Na"	45.978436
"1117630"	125.526168	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2Na"	45.978436
"1399820"	84.0198706666667	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H+2Na"	46.985712
"1432301"	252.086646	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H+HCOOH"	47.012746
"222719"	233.09614	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+3H2O+2H"	56.04448
"1511152"	266.13869	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+IsoProp+H"	61.06479
"414121"	236.050088	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+Na+K"	61.952376
"771833"	338.587038	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+Na+K"	61.952376
"1667433"	133.513138	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Na+K"	61.952376
"262355"	474.163568	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+ACN+Na"	64.015768
"1237250"	269.089668	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+ACN+Na"	64.015768
"1724316"	269.113193	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+NH4+HCOOH"	64.039293
"1191736"	91.3471846666667	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+3Na"	68.967654
"1661386"	274.068588	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Na+HCOOH"	68.994688
"170687"	487.06684	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+2K-H"	76.91904
"609636"	692.14074	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+2K-H"	76.91904
"1097796"	281.99294	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2K-H"	76.91904
"154978"	244.037058	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"2M+2K"	77.926316
"595630"	346.574008	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"3M+2K"	77.926316
"1082937"	141.500108	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2K"	77.926316
"1113715"	284.007492	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2K+H"	78.933592
"1348646"	284.095107	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+DMSO+H"	79.021207
"1019602"	288.134276	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2ACN+H"	83.060376
"1537848"	289.127908	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+IsoProp+Na+H"	84.054008
"1002840"	144.570776	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+2ACN+2H"	84.067652
"1601596"	290.042528	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+K+HCOOH"	84.968628
"1427375"	320.074038	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+H+CF3COOH"	115.000138
"1161188"	165.084051	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+3ACN+2H"	125.094202
"1710496"	337.100585	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+NH4+CF3COOH"	132.026685
"1645781"	342.05598	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+Na+CF3COOH"	136.98208
"1581431"	358.02992	"C09961"	"Gentianamine"	"C11H11NO3"	"205.0739"	"M+K+CF3COOH"	152.95602
"808516"	193.0739	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M"	0
"979861"	174.05551	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-H2O-H"	-19.01839
"63233"	127.708657333333	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M-3H"	-3.021828
"507663"	192.066624	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M-3H"	-3.021828
"880196"	63.3506906666667	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-3H"	-3.021828
"2700"	192.066624	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M-2H"	-2.014552
"443599"	288.603574	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M-2H"	-2.014552
"817341"	95.529674	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-2H"	-2.014552
"79201"	385.140524	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M-H"	-1.007276
"518879"	578.214424	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M-H"	-1.007276
"896562"	192.066624	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-H"	-1.007276
"49112"	402.167071	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M-2H+NH4"	16.019271
"487578"	595.240971	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M-2H+NH4"	16.019271
"865020"	209.093171	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-2H+NH4"	16.019271
"34011"	407.122466	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M-2H+Na"	20.974666
"477959"	600.196366	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M-2H+Na"	20.974666
"852477"	214.048566	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-2H+Na"	20.974666
"1626387"	214.048566	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Na-2H"	20.974666
"95988"	210.054963	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M-H+Cl"	33.962126
"540655"	306.591913	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M-H+Cl"	33.962126
"932710"	113.518013	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-H+Cl"	33.962126
"269080"	421.117202	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+Cl"	34.969402
"664789"	614.191102	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+Cl"	34.969402
"1284858"	228.043302	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Cl"	34.969402
"28874"	423.096406	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M-2H+K"	36.948606
"470580"	616.170306	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M-2H+K"	36.948606
"847325"	230.022506	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-2H+K"	36.948606
"1570815"	230.022506	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+K-2H"	36.948606
"958477"	238.072094	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-H+HCOOH"	44.998194
"377100"	431.146001	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+HCOOH-H"	44.998201
"361381"	445.161651	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+Hac-H"	59.013851
"1508439"	252.087751	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Hac-H"	59.013851
"973764"	260.054051	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-H+NaCOOH"	66.980151
"125667"	228.043302	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+2Cl"	69.938804
"563081"	324.580252	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+2Cl"	69.938804
"1036871"	131.506352	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2Cl"	69.938804
"1256195"	271.992785	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Br"	78.918885
"1311717"	274.048772	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Cl+HCOOH"	80.974872
"1331402"	296.030729	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Cl+NaCOOH"	102.956829
"915899"	306.059486	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M-H+CF3COOH"	112.985586
"1288918"	342.036164	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Cl+CF3COOH"	148.962264
"1370769"	158.061224	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H-2H2O"	-35.012676
"1383526"	176.0712	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H-H2O"	-17.0027
"285037"	387.155076	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+H"	1.007276
"682562"	580.228976	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+H"	1.007276
"1357818"	194.081176	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H"	1.007276
"131804"	194.081176	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+2H"	2.014552
"569538"	290.618126	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+2H"	2.014552
"1042357"	97.544226	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2H"	2.014552
"211354"	129.723209333333	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+3H"	3.021828
"650915"	194.081176	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+3H"	3.021828
"1171227"	65.3652426666667	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+3H"	3.021828
"426479"	404.181623	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+NH4"	18.033823
"791123"	597.255523	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+NH4"	18.033823
"1688548"	211.107723	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+NH4"	18.033823
"331481"	202.5944495	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+H+NH4"	19.041099
"729249"	299.1313995	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+H+NH4"	19.041099
"1483074"	106.0574995	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H+NH4"	19.041099
"398473"	409.137018	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+Na"	22.989218
"761656"	602.210918	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+Na"	22.989218
"1607566"	216.063118	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Na"	22.989218
"321979"	205.072147	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+H+Na"	23.996494
"714403"	301.609097	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+H+Na"	23.996494
"1468222"	108.535197	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H+Na"	23.996494
"1059279"	72.6925566666667	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2H+Na"	25.00377
"1264239"	226.107386	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+CH3OH+H"	33.033486
"386095"	425.110958	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+K"	38.963158
"745997"	618.184858	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+K"	38.963158
"1545496"	232.037058	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+K"	38.963158
"301213"	213.059117	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+H+K"	39.970434
"692905"	309.596067	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+H+K"	39.970434
"1447818"	116.522167	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H+K"	39.970434
"242257"	428.181626	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+ACN+H"	42.033826
"1219341"	235.107726	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+ACN+H"	42.033826
"1207604"	118.057501	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+ACN+2H"	43.041102
"198285"	431.11896	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+2Na-H"	44.97116
"640031"	624.19286	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+2Na-H"	44.97116
"1134423"	238.04506	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2Na-H"	44.97116
"181361"	216.063118	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+2Na"	45.978436
"616546"	312.600068	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+2Na"	45.978436
"1120052"	119.526168	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2Na"	45.978436
"1400295"	80.0198706666667	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H+2Na"	46.985712
"1432775"	240.086646	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H+HCOOH"	47.012746
"221738"	221.09614	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+3H2O+2H"	56.04448
"1509553"	254.13869	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+IsoProp+H"	61.06479
"414229"	224.050088	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+Na+K"	61.952376
"771577"	320.587038	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+Na+K"	61.952376
"1666815"	127.513138	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Na+K"	61.952376
"253697"	450.163568	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+ACN+Na"	64.015768
"1227872"	257.089668	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+ACN+Na"	64.015768
"1725884"	257.113193	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+NH4+HCOOH"	64.039293
"1193952"	87.3471846666667	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+3Na"	68.967654
"1664413"	262.068588	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Na+HCOOH"	68.994688
"172252"	463.06684	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+2K-H"	76.91904
"609020"	656.14074	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+2K-H"	76.91904
"1097539"	269.99294	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2K-H"	76.91904
"155329"	232.037058	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"2M+2K"	77.926316
"594646"	328.574008	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"3M+2K"	77.926316
"1080982"	135.500108	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2K"	77.926316
"1112977"	272.007492	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2K+H"	78.933592
"1349116"	272.095107	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+DMSO+H"	79.021207
"1018376"	276.134276	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2ACN+H"	83.060376
"1536137"	277.127908	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+IsoProp+Na+H"	84.054008
"1000034"	138.570776	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+2ACN+2H"	84.067652
"1598181"	278.042528	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+K+HCOOH"	84.968628
"1426027"	308.074038	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+H+CF3COOH"	115.000138
"1159596"	159.084051	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+3ACN+2H"	125.094202
"1709878"	325.100585	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+NH4+CF3COOH"	132.026685
"1645891"	330.05598	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+Na+CF3COOH"	136.98208
"1581541"	346.02992	"C09962"	"Gentioflavine"	"C10H11NO3"	"193.0739"	"M+K+CF3COOH"	152.95602
"805346"	220.0736	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M"	0
"974248"	201.05521	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-H2O-H"	-19.01839
"63833"	145.708457333333	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M-3H"	-3.021828
"502887"	219.066324	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M-3H"	-3.021828
"881563"	72.3505906666667	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-3H"	-3.021828
"82"	219.066324	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M-2H"	-2.014552
"442250"	329.103124	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M-2H"	-2.014552
"818586"	109.029524	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-2H"	-2.014552
"79432"	439.139924	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M-H"	-1.007276
"520082"	659.213524	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M-H"	-1.007276
"898494"	219.066324	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-H"	-1.007276
"49586"	456.166471	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M-2H+NH4"	16.019271
"490607"	676.240071	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M-2H+NH4"	16.019271
"867683"	236.092871	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-2H+NH4"	16.019271
"34121"	461.121866	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M-2H+Na"	20.974666
"476976"	681.195466	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M-2H+Na"	20.974666
"850765"	241.048266	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-2H+Na"	20.974666
"1623218"	241.048266	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Na-2H"	20.974666
"95003"	237.054663	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M-H+Cl"	33.962126
"540401"	347.091463	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M-H+Cl"	33.962126
"929541"	127.017863	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-H+Cl"	33.962126
"267488"	475.116602	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+Cl"	34.969402
"664899"	695.190202	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+Cl"	34.969402
"1288456"	255.043002	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Cl"	34.969402
"29348"	477.095806	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M-2H+K"	36.948606
"471022"	697.169406	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M-2H+K"	36.948606
"848413"	257.022206	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-2H+K"	36.948606
"1569099"	257.022206	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+K-2H"	36.948606
"957711"	265.071794	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-H+HCOOH"	44.998194
"376932"	485.145401	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+HCOOH-H"	44.998201
"361113"	499.161051	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+Hac-H"	59.013851
"1508391"	279.087451	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Hac-H"	59.013851
"973024"	287.053751	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-H+NaCOOH"	66.980151
"124239"	255.043002	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+2Cl"	69.938804
"565259"	365.079802	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+2Cl"	69.938804
"1036852"	145.006202	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2Cl"	69.938804
"1254847"	298.992485	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Br"	78.918885
"1310734"	301.048472	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Cl+HCOOH"	80.974872
"1328232"	323.030429	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Cl+NaCOOH"	102.956829
"916009"	333.059186	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M-H+CF3COOH"	112.985586
"1288783"	369.035864	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Cl+CF3COOH"	148.962264
"1370879"	185.060924	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H-2H2O"	-35.012676
"1382850"	203.0709	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H-H2O"	-17.0027
"284783"	441.154476	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+H"	1.007276
"683766"	661.228076	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+H"	1.007276
"1356835"	221.080876	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H"	1.007276
"130821"	221.080876	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+2H"	2.014552
"567462"	331.117676	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+2H"	2.014552
"1042467"	111.044076	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2H"	2.014552
"207453"	147.723009333333	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+3H"	3.021828
"648838"	221.080876	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+3H"	3.021828
"1163804"	74.3651426666667	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+3H"	3.021828
"426953"	458.181023	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+NH4"	18.033823
"791233"	678.254623	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+NH4"	18.033823
"1688658"	238.107423	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+NH4"	18.033823
"331591"	229.5941495	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+H+NH4"	19.041099
"729359"	339.6309495	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+H+NH4"	19.041099
"1484278"	119.5573495	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H+NH4"	19.041099
"397489"	463.136418	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+Na"	22.989218
"756297"	683.210018	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+Na"	22.989218
"1605490"	243.062818	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Na"	22.989218
"317717"	232.071847	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+H+Na"	23.996494
"712326"	342.108647	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+H+Na"	23.996494
"1465052"	122.035047	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H+Na"	23.996494
"1056476"	81.6924566666667	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2H+Na"	25.00377
"1263257"	253.107086	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+CH3OH+H"	33.033486
"381103"	479.110358	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+K"	38.963158
"743191"	699.183958	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+K"	38.963158
"1543420"	259.036758	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+K"	38.963158
"300959"	240.058817	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+H+K"	39.970434
"691922"	350.095617	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+H+K"	39.970434
"1447562"	130.022017	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H+K"	39.970434
"242367"	482.181026	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+ACN+H"	42.033826
"1216171"	262.107426	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+ACN+H"	42.033826
"1198961"	131.557351	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+ACN+2H"	43.041102
"196206"	485.11836	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+2Na-H"	44.97116
"636860"	705.19196	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+2Na-H"	44.97116
"1132344"	265.04476	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2Na-H"	44.97116
"178187"	243.062818	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+2Na"	45.978436
"615923"	353.099618	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+2Na"	45.978436
"1121253"	133.026018	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2Na"	45.978436
"1402589"	89.0197706666667	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H+2Na"	46.985712
"1430329"	267.086346	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H+HCOOH"	47.012746
"224401"	248.09584	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+3H2O+2H"	56.04448
"1508932"	281.13839	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+IsoProp+H"	61.06479
"411057"	251.049788	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+Na+K"	61.952376
"770961"	361.086588	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+Na+K"	61.952376
"1666923"	141.012988	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Na+K"	61.952376
"252710"	504.162968	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+ACN+Na"	64.015768
"1225627"	284.089368	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+ACN+Na"	64.015768
"1724166"	284.112893	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+NH4+HCOOH"	64.039293
"1193738"	96.3470846666667	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+3Na"	68.967654
"1664523"	289.068288	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Na+HCOOH"	68.994688
"171997"	517.06624	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+2K-H"	76.91904
"609861"	737.13984	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+2K-H"	76.91904
"1098015"	296.99264	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2K-H"	76.91904
"156408"	259.036758	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"2M+2K"	77.926316
"595120"	369.073558	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"3M+2K"	77.926316
"1082184"	148.999958	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2K"	77.926316
"1112844"	299.007192	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2K+H"	78.933592
"1349105"	299.094807	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+DMSO+H"	79.021207
"1015936"	303.133976	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2ACN+H"	83.060376
"1536247"	304.127608	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+IsoProp+Na+H"	84.054008
"998320"	152.070626	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+2ACN+2H"	84.067652
"1598291"	305.042228	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+K+HCOOH"	84.968628
"1425043"	335.073738	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+H+CF3COOH"	115.000138
"1159344"	172.583901	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+3ACN+2H"	125.094202
"1711082"	352.100285	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+NH4+CF3COOH"	132.026685
"1640535"	357.05568	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+Na+CF3COOH"	136.98208
"1581651"	373.02962	"C09963"	"Polygonolide"	"C12H12O4"	"220.0736"	"M+K+CF3COOH"	152.95602
"808736"	220.0372	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M"	0
"975707"	201.01881	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-H2O-H"	-19.01839
"63244"	145.684190666667	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M-3H"	-3.021828
"503173"	219.029924	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M-3H"	-3.021828
"880214"	72.3384573333333	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-3H"	-3.021828
"206"	219.029924	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M-2H"	-2.014552
"441267"	329.048524	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M-2H"	-2.014552
"818694"	109.011324	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-2H"	-2.014552
"79176"	439.067124	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M-H"	-1.007276
"519947"	659.104324	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M-H"	-1.007276
"897508"	219.029924	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-H"	-1.007276
"49209"	456.093671	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M-2H+NH4"	16.019271
"489015"	676.130871	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M-2H+NH4"	16.019271
"868156"	236.056471	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-2H+NH4"	16.019271
"34231"	461.049066	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M-2H+Na"	20.974666
"474896"	681.086266	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M-2H+Na"	20.974666
"848882"	241.011866	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-2H+Na"	20.974666
"1619680"	241.011866	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Na-2H"	20.974666
"94429"	237.018263	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M-H+Cl"	33.962126
"535042"	347.036863	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M-H+Cl"	33.962126
"927374"	126.999663	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-H+Cl"	33.962126
"267718"	475.043802	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+Cl"	34.969402
"665009"	695.081002	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+Cl"	34.969402
"1288406"	255.006602	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Cl"	34.969402
"31133"	477.023006	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M-2H+K"	36.948606
"471182"	697.060206	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M-2H+K"	36.948606
"848347"	256.985806	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-2H+K"	36.948606
"1570307"	256.985806	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+K-2H"	36.948606
"957096"	265.035394	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-H+HCOOH"	44.998194
"376285"	485.072601	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+HCOOH-H"	44.998201
"360734"	499.088251	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+Hac-H"	59.013851
"1507784"	279.051051	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Hac-H"	59.013851
"973012"	287.017351	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-H+NaCOOH"	66.980151
"125446"	255.006602	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+2Cl"	69.938804
"564398"	365.025202	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+2Cl"	69.938804
"1036112"	144.988002	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2Cl"	69.938804
"1254229"	298.956085	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Br"	78.918885
"1309750"	301.012072	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Cl+HCOOH"	80.974872
"1327249"	322.994029	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Cl+NaCOOH"	102.956829
"912960"	333.022786	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M-H+CF3COOH"	112.985586
"1288689"	368.999464	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Cl+CF3COOH"	148.962264
"1369044"	185.024524	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H-2H2O"	-35.012676
"1383091"	203.0345	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H-H2O"	-17.0027
"284285"	441.081676	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+H"	1.007276
"682782"	661.118876	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+H"	1.007276
"1355851"	221.044476	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H"	1.007276
"129838"	221.044476	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+2H"	2.014552
"568304"	331.063076	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+2H"	2.014552
"1039660"	111.025876	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2H"	2.014552
"205008"	147.698742666667	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+3H"	3.021828
"648948"	221.044476	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+3H"	3.021828
"1164157"	74.3530093333333	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+3H"	3.021828
"425605"	458.108223	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+NH4"	18.033823
"786960"	678.145423	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+NH4"	18.033823
"1683663"	238.071023	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+NH4"	18.033823
"335955"	229.5577495	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+H+NH4"	19.041099
"729468"	339.5763495	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+H+NH4"	19.041099
"1487668"	119.5391495	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H+NH4"	19.041099
"395412"	463.063618	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+Na"	22.989218
"759688"	683.100818	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+Na"	22.989218
"1605600"	243.026418	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Na"	22.989218
"324387"	232.035447	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+H+Na"	23.996494
"709884"	342.054047	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+H+Na"	23.996494
"1466255"	122.016847	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H+Na"	23.996494
"1059137"	81.6803233333333	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2H+Na"	25.00377
"1266647"	253.070686	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+CH3OH+H"	33.033486
"379390"	479.037558	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+K"	38.963158
"740385"	699.074758	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+K"	38.963158
"1540977"	259.000358	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+K"	38.963158
"301433"	240.022417	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+H+K"	39.970434
"693854"	350.041017	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+H+K"	39.970434
"1446943"	130.003817	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H+K"	39.970434
"242477"	482.108226	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+ACN+H"	42.033826
"1216281"	262.071026	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+ACN+H"	42.033826
"1196883"	131.539151	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+ACN+2H"	43.041102
"195222"	485.04556	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+2Na-H"	44.97116
"638064"	705.08276	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+2Na-H"	44.97116
"1133182"	265.00836	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2Na-H"	44.97116
"178297"	243.026418	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+2Na"	45.978436
"616761"	353.045018	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+2Na"	45.978436
"1119175"	133.007818	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2Na"	45.978436
"1400147"	89.0076373333333	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H+2Na"	46.985712
"1430803"	267.049946	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H+HCOOH"	47.012746
"225605"	248.05944	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+3H2O+2H"	56.04448
"1510013"	281.10199	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+IsoProp+H"	61.06479
"411167"	251.013388	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+Na+K"	61.952376
"770824"	361.031988	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+Na+K"	61.952376
"1666669"	140.994788	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Na+K"	61.952376
"251927"	504.090168	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+ACN+Na"	64.015768
"1225854"	284.052968	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+ACN+Na"	64.015768
"1713698"	284.076493	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+NH4+HCOOH"	64.039293
"1183792"	96.3349513333333	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+3Na"	68.967654
"1657693"	289.031888	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Na+HCOOH"	68.994688
"171139"	516.99344	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+2K-H"	76.91904
"611426"	737.03064	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+2K-H"	76.91904
"1098123"	296.95624	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2K-H"	76.91904
"156036"	259.000358	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"2M+2K"	77.926316
"595230"	369.018958	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"3M+2K"	77.926316
"1080109"	148.981758	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2K"	77.926316
"1112953"	298.970792	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2K+H"	78.933592
"1348490"	299.058407	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+DMSO+H"	79.021207
"1018235"	303.097576	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2ACN+H"	83.060376
"1536358"	304.091208	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+IsoProp+Na+H"	84.054008
"999523"	152.052426	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+2ACN+2H"	84.067652
"1598402"	305.005828	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+K+HCOOH"	84.968628
"1427340"	335.037338	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+H+CF3COOH"	115.000138
"1160910"	172.565701	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+3ACN+2H"	125.094202
"1711190"	352.063885	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+NH4+CF3COOH"	132.026685
"1642832"	357.01928	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+Na+CF3COOH"	136.98208
"1581761"	372.99322	"C09964"	"Purpurogallin"	"C11H8O5"	"220.0372"	"M+K+CF3COOH"	152.95602
"808846"	328.1522	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M"	0
"976910"	309.13381	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-H2O-H"	-19.01839
"64417"	217.760857333333	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M-3H"	-3.021828
"504340"	327.144924	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M-3H"	-3.021828
"880929"	108.376790666667	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-3H"	-3.021828
"1208"	327.144924	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M-2H"	-2.014552
"440405"	491.221024	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M-2H"	-2.014552
"819539"	163.068824	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-2H"	-2.014552
"83540"	655.297124	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M-H"	-1.007276
"521276"	983.449324	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M-H"	-1.007276
"899809"	327.144924	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-H"	-1.007276
"53092"	672.323671	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M-2H+NH4"	16.019271
"495568"	1000.475871	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M-2H+NH4"	16.019271
"871912"	344.171471	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-2H+NH4"	16.019271
"38718"	677.279066	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M-2H+Na"	20.974666
"476102"	1005.431266	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M-2H+Na"	20.974666
"851348"	349.126866	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-2H+Na"	20.974666
"1620518"	349.126866	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Na-2H"	20.974666
"95221"	345.133263	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M-H+Cl"	33.962126
"536242"	509.209363	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M-H+Cl"	33.962126
"928055"	181.057163	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-H+Cl"	33.962126
"268069"	691.273802	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+Cl"	34.969402
"664026"	1019.426002	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+Cl"	34.969402
"1288240"	363.121602	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Cl"	34.969402
"30998"	693.253006	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M-2H+K"	36.948606
"471042"	1021.405206	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M-2H+K"	36.948606
"848193"	365.100806	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-2H+K"	36.948606
"1569568"	365.100806	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+K-2H"	36.948606
"957207"	373.150394	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-H+HCOOH"	44.998194
"375058"	701.302601	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+HCOOH-H"	44.998201
"359672"	715.318251	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+Hac-H"	59.013851
"1506557"	387.166051	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Hac-H"	59.013851
"970935"	395.132351	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-H+NaCOOH"	66.980151
"123491"	363.121602	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+2Cl"	69.938804
"563419"	527.197702	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+2Cl"	69.938804
"1035737"	199.045502	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2Cl"	69.938804
"1255798"	407.071085	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Br"	78.918885
"1317151"	409.127072	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Cl+HCOOH"	80.974872
"1327359"	431.109029	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Cl+NaCOOH"	102.956829
"918415"	441.137786	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M-H+CF3COOH"	112.985586
"1292938"	477.114464	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Cl+CF3COOH"	148.962264
"1371099"	293.139524	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H-2H2O"	-35.012676
"1384950"	311.1495	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H-H2O"	-17.0027
"287190"	657.311676	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+H"	1.007276
"680705"	985.463876	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+H"	1.007276
"1354866"	329.159476	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H"	1.007276
"131042"	329.159476	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+2H"	2.014552
"569508"	493.235576	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+2H"	2.014552
"1042686"	165.083376	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2H"	2.014552
"205240"	219.775409333333	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+3H"	3.021828
"651245"	329.159476	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+3H"	3.021828
"1167183"	110.391342666667	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+3H"	3.021828
"428268"	674.338223	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+NH4"	18.033823
"787436"	1002.490423	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+NH4"	18.033823
"1682433"	346.186023	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+NH4"	18.033823
"331322"	337.6727495	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+H+NH4"	19.041099
"727391"	501.7488495	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+H+NH4"	19.041099
"1478659"	173.5966495	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H+NH4"	19.041099
"396615"	679.293618	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+Na"	22.989218
"758703"	1007.445818	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+Na"	22.989218
"1604615"	351.141418	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Na"	22.989218
"324497"	340.150447	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+H+Na"	23.996494
"709629"	504.226547	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+H+Na"	23.996494
"1466364"	176.074347	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H+Na"	23.996494
"1053529"	117.718656666667	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2H+Na"	25.00377
"1263476"	361.185686	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+CH3OH+H"	33.033486
"382049"	695.267558	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+K"	38.963158
"741222"	1023.419758	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+K"	38.963158
"1542541"	367.115358	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+K"	38.963158
"301175"	348.137417	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+H+K"	39.970434
"694690"	512.213517	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+H+K"	39.970434
"1447778"	184.061317	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H+K"	39.970434
"242587"	698.338226	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+ACN+H"	42.033826
"1216391"	370.186026	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+ACN+H"	42.033826
"1198086"	185.596651	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+ACN+2H"	43.041102
"197519"	701.27556	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+2Na-H"	44.97116
"638174"	1029.42776	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+2Na-H"	44.97116
"1133656"	373.12336	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2Na-H"	44.97116
"176219"	351.141418	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+2Na"	45.978436
"617599"	515.217518	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+2Na"	45.978436
"1122565"	187.065318	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2Na"	45.978436
"1402809"	125.045970666667	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H+2Na"	46.985712
"1431278"	375.164946	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H+HCOOH"	47.012746
"224621"	356.17444	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+3H2O+2H"	56.04448
"1509392"	389.21699	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+IsoProp+H"	61.06479
"411641"	359.128388	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+Na+K"	61.952376
"770449"	523.204488	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+Na+K"	61.952376
"1666172"	195.052288	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Na+K"	61.952376
"252442"	720.320168	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+ACN+Na"	64.015768
"1226369"	392.167968	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+ACN+Na"	64.015768
"1713804"	392.191493	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+NH4+HCOOH"	64.039293
"1183902"	132.373284666667	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+3Na"	68.967654
"1656710"	397.146888	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Na+HCOOH"	68.994688
"166493"	733.22344	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+2K-H"	76.91904
"609348"	1061.37564	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+2K-H"	76.91904
"1096412"	405.07124	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2K-H"	76.91904
"154325"	367.115358	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"2M+2K"	77.926316
"594613"	531.191458	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"3M+2K"	77.926316
"1080586"	203.039258	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2K"	77.926316
"1111971"	407.085792	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2K+H"	78.933592
"1347626"	407.173407	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+DMSO+H"	79.021207
"1018343"	411.212576	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2ACN+H"	83.060376
"1536105"	412.206208	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+IsoProp+Na+H"	84.054008
"1001822"	206.109926	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+2ACN+2H"	84.067652
"1601428"	413.120828	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+K+HCOOH"	84.968628
"1427817"	443.152338	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+H+CF3COOH"	115.000138
"1161020"	226.623201	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+3ACN+2H"	125.094202
"1710936"	460.178885	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+NH4+CF3COOH"	132.026685
"1642942"	465.13428	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+Na+CF3COOH"	136.98208
"1581871"	481.10822	"C09965"	"Rhododendrin"	"C16H24O7"	"328.1522"	"M+K+CF3COOH"	152.95602
"812236"	386.2093	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M"	0
"977021"	367.19091	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-H2O-H"	-19.01839
"65624"	256.465590666667	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M-3H"	-3.021828
"505911"	385.202024	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M-3H"	-3.021828
"881041"	127.729157333333	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-3H"	-3.021828
"710"	385.202024	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M-2H"	-2.014552
"441244"	578.306674	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M-2H"	-2.014552
"821837"	192.097374	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-2H"	-2.014552
"80738"	771.411324	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M-H"	-1.007276
"531232"	1157.620624	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M-H"	-1.007276
"903567"	385.202024	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-H"	-1.007276
"55754"	788.437871	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M-2H+NH4"	16.019271
"500781"	1174.647171	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M-2H+NH4"	16.019271
"873116"	402.228571	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-2H+NH4"	16.019271
"38828"	793.393266	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M-2H+Na"	20.974666
"477306"	1179.602566	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M-2H+Na"	20.974666
"851095"	407.183966	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-2H+Na"	20.974666
"1621720"	407.183966	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Na-2H"	20.974666
"97155"	403.190363	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M-H+Cl"	33.962126
"537446"	596.295013	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M-H+Cl"	33.962126
"929138"	210.085713	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-H+Cl"	33.962126
"270614"	807.388002	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+Cl"	34.969402
"664136"	1193.597302	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+Cl"	34.969402
"1288110"	421.178702	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Cl"	34.969402
"31149"	809.367206	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M-2H+K"	36.948606
"471221"	1195.576506	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M-2H+K"	36.948606
"847903"	423.157906	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-2H+K"	36.948606
"1570533"	423.157906	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+K-2H"	36.948606
"957317"	431.207494	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-H+HCOOH"	44.998194
"375534"	817.416801	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+HCOOH-H"	44.998201
"360515"	831.432451	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+Hac-H"	59.013851
"1507152"	445.223151	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Hac-H"	59.013851
"972873"	453.189451	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-H+NaCOOH"	66.980151
"123236"	421.178702	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+2Cl"	69.938804
"563162"	614.283352	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+2Cl"	69.938804
"1035608"	228.074052	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2Cl"	69.938804
"1255789"	465.128185	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Br"	78.918885
"1318357"	467.184172	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Cl+HCOOH"	80.974872
"1333304"	489.166129	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Cl+NaCOOH"	102.956829
"922899"	499.194886	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M-H+CF3COOH"	112.985586
"1296328"	535.171564	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Cl+CF3COOH"	148.962264
"1375583"	351.196624	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H-2H2O"	-35.012676
"1389800"	369.2066	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H-H2O"	-17.0027
"288394"	773.425876	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+H"	1.007276
"685190"	1159.635176	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+H"	1.007276
"1357162"	387.216576	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H"	1.007276
"132245"	387.216576	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+2H"	2.014552
"571806"	580.321226	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+2H"	2.014552
"1041702"	194.111926	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2H"	2.014552
"205108"	258.480142666667	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+3H"	3.021828
"651355"	387.216576	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+3H"	3.021828
"1167293"	129.743709333333	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+3H"	3.021828
"425340"	790.452423	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+NH4"	18.033823
"787181"	1176.661723	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+NH4"	18.033823
"1682421"	404.243123	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+NH4"	18.033823
"330946"	395.7298495	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+H+NH4"	19.041099
"727501"	588.8344995	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+H+NH4"	19.041099
"1481323"	202.6251995	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H+NH4"	19.041099
"401099"	795.407818	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+Na"	22.989218
"758813"	1181.617118	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+Na"	22.989218
"1605089"	409.198518	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Na"	22.989218
"321326"	398.207547	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+H+Na"	23.996494
"711559"	591.312197	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+H+Na"	23.996494
"1465380"	205.102897	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H+Na"	23.996494
"1054614"	137.071023333333	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2H+Na"	25.00377
"1259574"	419.242786	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+CH3OH+H"	33.033486
"382159"	811.381758	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+K"	38.963158
"738976"	1197.591058	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+K"	38.963158
"1541195"	425.172458	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+K"	38.963158
"300189"	406.194517	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+H+K"	39.970434
"692978"	599.299167	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+H+K"	39.970434
"1446065"	213.089867	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H+K"	39.970434
"237224"	814.452426	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+ACN+H"	42.033826
"1216500"	428.243126	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+ACN+H"	42.033826
"1205850"	214.625201	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+ACN+2H"	43.041102
"194348"	817.38976	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+2Na-H"	44.97116
"636096"	1203.59906	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+2Na-H"	44.97116
"1134133"	431.18046	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2Na-H"	44.97116
"176693"	409.198518	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+2Na"	45.978436
"616980"	602.303168	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+2Na"	45.978436
"1122675"	216.093868	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2Na"	45.978436
"1405105"	144.398337333333	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H+2Na"	46.985712
"1431754"	433.222046	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H+HCOOH"	47.012746
"225825"	414.23154	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+3H2O+2H"	56.04448
"1509871"	447.27409	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+IsoProp+H"	61.06479
"410294"	417.185488	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+Na+K"	61.952376
"770113"	610.290138	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+Na+K"	61.952376
"1669077"	224.080838	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Na+K"	61.952376
"252682"	836.434368	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+ACN+Na"	64.015768
"1225755"	450.225068	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+ACN+Na"	64.015768
"1713910"	450.248593	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+NH4+HCOOH"	64.039293
"1178819"	151.725651333333	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+3Na"	68.967654
"1653904"	455.203988	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Na+HCOOH"	68.994688
"163322"	849.33764	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+2K-H"	76.91904
"609096"	1235.54694	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+2K-H"	76.91904
"1096525"	463.12834	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2K-H"	76.91904
"154797"	425.172458	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"2M+2K"	77.926316
"593995"	618.277108	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"3M+2K"	77.926316
"1080332"	232.067808	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2K"	77.926316
"1112446"	465.142892	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2K+H"	78.933592
"1347008"	465.230507	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+DMSO+H"	79.021207
"1017360"	469.269676	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2ACN+H"	83.060376
"1536214"	470.263308	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+IsoProp+Na+H"	84.054008
"1002660"	235.138476	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+2ACN+2H"	84.067652
"1598622"	471.177928	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+K+HCOOH"	84.968628
"1428292"	501.209438	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+H+CF3COOH"	115.000138
"1161858"	255.651751	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+3ACN+2H"	125.094202
"1711411"	518.235985	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+NH4+CF3COOH"	132.026685
"1643052"	523.19138	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+Na+CF3COOH"	136.98208
"1581981"	539.16532	"C09966"	"Robustadial A"	"C23H30O5"	"386.2093"	"M+K+CF3COOH"	152.95602
"812346"	346.0689	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M"	0
"978224"	327.05051	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-H2O-H"	-19.01839
"63044"	229.705324	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M-3H"	-3.021828
"503468"	345.061624	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M-3H"	-3.021828
"880192"	114.349024	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-3H"	-3.021828
"1301"	345.061624	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M-2H"	-2.014552
"440990"	518.096074	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M-2H"	-2.014552
"818301"	172.027174	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-2H"	-2.014552
"79509"	691.130524	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M-H"	-1.007276
"520042"	1037.199424	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M-H"	-1.007276
"897478"	345.061624	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-H"	-1.007276
"48570"	708.157071	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M-2H+NH4"	16.019271
"490319"	1054.225971	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M-2H+NH4"	16.019271
"868120"	362.088171	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-2H+NH4"	16.019271
"37844"	713.112466	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M-2H+Na"	20.974666
"475224"	1059.181366	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M-2H+Na"	20.974666
"849053"	367.043566	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-2H+Na"	20.974666
"1619279"	367.043566	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Na-2H"	20.974666
"94508"	363.049963	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M-H+Cl"	33.962126
"535854"	536.084413	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M-H+Cl"	33.962126
"927828"	190.015513	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-H+Cl"	33.962126
"267440"	727.107202	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+Cl"	34.969402
"661087"	1073.176102	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+Cl"	34.969402
"1287732"	381.038302	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Cl"	34.969402
"30289"	729.086406	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M-2H+K"	36.948606
"470659"	1075.155306	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M-2H+K"	36.948606
"847731"	383.017506	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-2H+K"	36.948606
"1571133"	383.017506	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+K-2H"	36.948606
"958157"	391.067094	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-H+HCOOH"	44.998194
"376739"	737.136001	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+HCOOH-H"	44.998201
"360868"	751.151651	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+Hac-H"	59.013851
"1507262"	405.082751	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Hac-H"	59.013851
"973954"	413.049051	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-H+NaCOOH"	66.980151
"124077"	381.038302	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+2Cl"	69.938804
"564729"	554.072752	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+2Cl"	69.938804
"1036572"	208.003852	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2Cl"	69.938804
"1255778"	424.987785	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Br"	78.918885
"1319317"	427.043772	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Cl+HCOOH"	80.974872
"1332682"	449.025729	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Cl+NaCOOH"	102.956829
"924103"	459.054486	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M-H+CF3COOH"	112.985586
"1297531"	495.031164	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Cl+CF3COOH"	148.962264
"1376786"	311.056224	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H-2H2O"	-35.012676
"1389909"	329.0662	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H-H2O"	-17.0027
"288503"	693.145076	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+H"	1.007276
"685666"	1039.213976	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+H"	1.007276
"1358366"	347.076176	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H"	1.007276
"133448"	347.076176	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+2H"	2.014552
"574103"	520.110626	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+2H"	2.014552
"1038897"	174.041726	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2H"	2.014552
"205703"	231.719876	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+3H"	3.021828
"650372"	347.076176	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+3H"	3.021828
"1166310"	116.363576	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+3H"	3.021828
"425329"	710.171623	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+NH4"	18.033823
"786319"	1056.240523	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+NH4"	18.033823
"1681328"	364.102723	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+NH4"	18.033823
"330123"	355.5894495	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+H+NH4"	19.041099
"727611"	528.6238995	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+H+NH4"	19.041099
"1481433"	182.5549995	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H+NH4"	19.041099
"401209"	715.127018	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+Na"	22.989218
"757830"	1061.195918	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+Na"	22.989218
"1604227"	369.058118	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Na"	22.989218
"320343"	358.067147	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+H+Na"	23.996494
"710210"	531.101597	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+H+Na"	23.996494
"1465490"	185.032697	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H+Na"	23.996494
"1055088"	123.69089	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2H+Na"	25.00377
"1258591"	379.102386	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+CH3OH+H"	33.033486
"380083"	731.100958	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+K"	38.963158
"738844"	1077.169858	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+K"	38.963158
"1541669"	385.032058	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+K"	38.963158
"299569"	366.054117	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+H+K"	39.970434
"692356"	539.088567	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+H+K"	39.970434
"1445764"	193.019667	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H+K"	39.970434
"236602"	734.171626	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+ACN+H"	42.033826
"1215516"	388.102726	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+ACN+H"	42.033826
"1204867"	194.555001	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+ACN+2H"	43.041102
"194458"	737.10896	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+2Na-H"	44.97116
"632559"	1083.17786	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+2Na-H"	44.97116
"1133144"	391.04006	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2Na-H"	44.97116
"175347"	369.058118	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+2Na"	45.978436
"614173"	542.092568	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+2Na"	45.978436
"1119504"	196.023668	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2Na"	45.978436
"1403028"	131.018204	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H+2Na"	46.985712
"1437330"	393.081646	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H+HCOOH"	47.012746
"222653"	374.09114	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+3H2O+2H"	56.04448
"1509258"	407.13369	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+IsoProp+H"	61.06479
"410040"	377.045088	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+Na+K"	61.952376
"769978"	550.079538	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+Na+K"	61.952376
"1666998"	204.010638	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Na+K"	61.952376
"253521"	756.153568	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+ACN+Na"	64.015768
"1225741"	410.084668	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+ACN+Na"	64.015768
"1713414"	410.108193	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+NH4+HCOOH"	64.039293
"1179131"	138.345518	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+3Na"	68.967654
"1650243"	415.063588	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Na+HCOOH"	68.994688
"163432"	769.05684	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+2K-H"	76.91904
"608112"	1115.12574	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+2K-H"	76.91904
"1097972"	422.98794	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2K-H"	76.91904
"155997"	385.032058	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"2M+2K"	77.926316
"593379"	558.066508	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"3M+2K"	77.926316
"1081536"	211.997608	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2K"	77.926316
"1113407"	425.002492	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2K+H"	78.933592
"1349664"	425.090107	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+DMSO+H"	79.021207
"1018564"	429.129276	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2ACN+H"	83.060376
"1538027"	430.122908	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+IsoProp+Na+H"	84.054008
"1002040"	215.068276	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+2ACN+2H"	84.067652
"1599461"	431.037528	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+K+HCOOH"	84.968628
"1428399"	461.069038	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+H+CF3COOH"	115.000138
"1162333"	235.581551	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+3ACN+2H"	125.094202
"1712491"	478.095585	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+NH4+CF3COOH"	132.026685
"1643162"	483.05098	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+Na+CF3COOH"	136.98208
"1582091"	499.02492	"C09967"	"Taxifolin 3-O-acetate"	"C17H14O8"	"346.0689"	"M+K+CF3COOH"	152.95602
"809176"	474.189	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M"	0
"978334"	455.17061	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-H2O-H"	-19.01839
"63368"	315.118724	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M-3H"	-3.021828
"503294"	473.181724	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M-3H"	-3.021828
"881016"	157.055724	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-3H"	-3.021828
"1047"	473.181724	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M-2H"	-2.014552
"440448"	710.276224	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M-2H"	-2.014552
"819140"	236.087224	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-2H"	-2.014552
"80590"	947.370724	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M-H"	-1.007276
"521608"	1421.559724	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M-H"	-1.007276
"899774"	473.181724	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-H"	-1.007276
"51598"	964.397271	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M-2H+NH4"	16.019271
"492617"	1438.586271	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M-2H+NH4"	16.019271
"869324"	490.208271	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-2H+NH4"	16.019271
"37954"	969.352666	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M-2H+Na"	20.974666
"474240"	1443.541666	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M-2H+Na"	20.974666
"850215"	495.163666	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-2H+Na"	20.974666
"1620848"	495.163666	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Na-2H"	20.974666
"94945"	491.170063	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M-H+Cl"	33.962126
"535236"	728.264563	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M-H+Cl"	33.962126
"928019"	254.075563	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-H+Cl"	33.962126
"267466"	983.347402	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+Cl"	34.969402
"662169"	1457.536402	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+Cl"	34.969402
"1288316"	509.158402	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Cl"	34.969402
"31130"	985.326606	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M-2H+K"	36.948606
"471255"	1459.515606	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M-2H+K"	36.948606
"848236"	511.137606	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-2H+K"	36.948606
"1571132"	511.137606	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+K-2H"	36.948606
"957907"	519.187194	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-H+HCOOH"	44.998194
"376483"	993.376201	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+HCOOH-H"	44.998201
"361247"	1007.391851	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+Hac-H"	59.013851
"1507004"	533.202851	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Hac-H"	59.013851
"972725"	541.169151	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-H+NaCOOH"	66.980151
"125153"	509.158402	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+2Cl"	69.938804
"563741"	746.252902	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+2Cl"	69.938804
"1035821"	272.063902	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2Cl"	69.938804
"1254305"	553.107885	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Br"	78.918885
"1313473"	555.163872	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Cl+HCOOH"	80.974872
"1327690"	577.145829	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Cl+NaCOOH"	102.956829
"924943"	587.174586	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M-H+CF3COOH"	112.985586
"1299828"	623.151264	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Cl+CF3COOH"	148.962264
"1372522"	439.176324	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H-2H2O"	-35.012676
"1388926"	457.1863	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H-H2O"	-17.0027
"288612"	949.385276	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+H"	1.007276
"681036"	1423.574276	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+H"	1.007276
"1357382"	475.196276	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H"	1.007276
"129179"	475.196276	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+2H"	2.014552
"570929"	712.290776	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+2H"	2.014552
"1039003"	238.101776	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2H"	2.014552
"205082"	317.133276	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+3H"	3.021828
"644765"	475.196276	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+3H"	3.021828
"1166415"	159.070276	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+3H"	3.021828
"425679"	966.411823	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+NH4"	18.033823
"787405"	1440.600823	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+NH4"	18.033823
"1681461"	492.222823	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+NH4"	18.033823
"330308"	483.7095495	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+H+NH4"	19.041099
"726628"	720.8040495	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+H+NH4"	19.041099
"1481543"	246.6150495	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H+NH4"	19.041099
"398039"	971.367218	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+Na"	22.989218
"756847"	1445.556218	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+Na"	22.989218
"1603039"	497.178218	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Na"	22.989218
"314370"	486.187247	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+H+Na"	23.996494
"707113"	723.281747	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+H+Na"	23.996494
"1463775"	249.092747	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H+Na"	23.996494
"1052798"	166.39759	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2H+Na"	25.00377
"1257128"	507.222486	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+CH3OH+H"	33.033486
"377121"	987.341158	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+K"	38.963158
"738551"	1461.530158	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+K"	38.963158
"1539889"	513.152158	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+K"	38.963158
"298588"	494.174217	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+H+K"	39.970434
"691442"	731.268717	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+H+K"	39.970434
"1445665"	257.079717	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H+K"	39.970434
"235701"	990.411826	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+ACN+H"	42.033826
"1209906"	516.222826	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+ACN+H"	42.033826
"1197322"	258.615051	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+ACN+2H"	43.041102
"192379"	993.34916	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+2Na-H"	44.97116
"629868"	1467.53816	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+2Na-H"	44.97116
"1132158"	519.16016	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2Na-H"	44.97116
"173870"	497.178218	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+2Na"	45.978436
"614524"	734.272718	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+2Na"	45.978436
"1117789"	260.083718	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2Na"	45.978436
"1400342"	173.724904	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H+2Na"	46.985712
"1435252"	521.201746	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H+HCOOH"	47.012746
"222762"	502.21124	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+3H2O+2H"	56.04448
"1510814"	535.25379	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+IsoProp+H"	61.06479
"410146"	505.165188	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+Na+K"	61.952376
"773695"	742.259688	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+Na+K"	61.952376
"1671121"	268.070688	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Na+K"	61.952376
"255818"	1012.393768	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+ACN+Na"	64.015768
"1227068"	538.204768	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+ACN+Na"	64.015768
"1713444"	538.228293	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+NH4+HCOOH"	64.039293
"1179120"	181.052218	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+3Na"	68.967654
"1650020"	543.183688	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Na+HCOOH"	68.994688
"160260"	1025.29704	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+2K-H"	76.91904
"599819"	1499.48604	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+2K-H"	76.91904
"1086523"	551.10804	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2K-H"	76.91904
"156836"	513.152158	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"2M+2K"	77.926316
"596038"	750.246658	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"3M+2K"	77.926316
"1082861"	276.057658	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2K"	77.926316
"1114363"	553.122592	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2K+H"	78.933592
"1348682"	553.210207	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+DMSO+H"	79.021207
"1020250"	557.249376	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2ACN+H"	83.060376
"1537889"	558.243008	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+IsoProp+Na+H"	84.054008
"1003242"	279.128326	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+2ACN+2H"	84.067652
"1599571"	559.157628	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+K+HCOOH"	84.968628
"1428509"	589.189138	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+H+CF3COOH"	115.000138
"1162077"	299.641601	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+3ACN+2H"	125.094202
"1712357"	606.215685	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+NH4+CF3COOH"	132.026685
"1643272"	611.17108	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+Na+CF3COOH"	136.98208
"1582201"	627.14502	"C09968"	"Robustaol A"	"C25H30O9"	"474.189"	"M+K+CF3COOH"	152.95602
"809286"	534.2254	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M"	0
"980631"	515.20701	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-H2O-H"	-19.01839
"63764"	355.142990666667	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M-3H"	-3.021828
"504782"	533.218124	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M-3H"	-3.021828
"880761"	177.067857333333	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-3H"	-3.021828
"1523"	533.218124	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M-2H"	-2.014552
"441086"	800.330824	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M-2H"	-2.014552
"818034"	266.105424	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-2H"	-2.014552
"80336"	1067.443524	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M-H"	-1.007276
"521720"	1601.668924	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M-H"	-1.007276
"900615"	533.218124	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-H"	-1.007276
"53896"	1084.470071	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M-2H+NH4"	16.019271
"494550"	1618.695471	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M-2H+NH4"	16.019271
"867613"	550.244671	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-2H+NH4"	16.019271
"38063"	1089.425466	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M-2H+Na"	20.974666
"473617"	1623.650866	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M-2H+Na"	20.974666
"852147"	555.200066	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-2H+Na"	20.974666
"1620597"	555.200066	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Na-2H"	20.974666
"94938"	551.206463	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M-H+Cl"	33.962126
"537779"	818.319163	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M-H+Cl"	33.962126
"927079"	284.093763	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-H+Cl"	33.962126
"267531"	1103.420202	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+Cl"	34.969402
"660450"	1637.645602	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+Cl"	34.969402
"1288414"	569.194802	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Cl"	34.969402
"30618"	1105.399406	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M-2H+K"	36.948606
"471288"	1639.624806	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M-2H+K"	36.948606
"847937"	571.174006	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-2H+K"	36.948606
"1566841"	571.174006	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+K-2H"	36.948606
"953630"	579.223594	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-H+HCOOH"	44.998194
"375124"	1113.449001	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+HCOOH-H"	44.998201
"355725"	1127.464651	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+Hac-H"	59.013851
"1506746"	593.239251	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Hac-H"	59.013851
"973193"	601.205551	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-H+NaCOOH"	66.980151
"121009"	569.194802	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+2Cl"	69.938804
"562756"	836.307502	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+2Cl"	69.938804
"1031555"	302.082102	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2Cl"	69.938804
"1252226"	613.144285	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Br"	78.918885
"1311392"	615.200272	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Cl+HCOOH"	80.974872
"1329982"	637.182229	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Cl+NaCOOH"	102.956829
"919946"	647.210986	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M-H+CF3COOH"	112.985586
"1296657"	683.187664	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Cl+CF3COOH"	148.962264
"1377006"	499.212724	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H-2H2O"	-35.012676
"1386850"	517.2227	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H-H2O"	-17.0027
"286536"	1069.458076	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+H"	1.007276
"681145"	1603.683476	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+H"	1.007276
"1358585"	535.232676	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H"	1.007276
"128194"	535.232676	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+2H"	2.014552
"568852"	802.345376	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+2H"	2.014552
"1039839"	268.119976	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2H"	2.014552
"207015"	357.157542666667	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+3H"	3.021828
"645601"	535.232676	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+3H"	3.021828
"1165433"	179.082409333333	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+3H"	3.021828
"425059"	1086.484623	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+NH4"	18.033823
"787513"	1620.710023	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+NH4"	18.033823
"1681898"	552.259223	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+NH4"	18.033823
"330137"	543.7459495	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+H+NH4"	19.041099
"726738"	810.8586495	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+H+NH4"	19.041099
"1481653"	276.6332495	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H+NH4"	19.041099
"394866"	1091.440018	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+Na"	22.989218
"756957"	1625.665418	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+Na"	22.989218
"1603958"	557.214618	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Na"	22.989218
"314441"	546.223647	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+H+Na"	23.996494
"707268"	813.336347	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+H+Na"	23.996494
"1462793"	279.110947	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H+Na"	23.996494
"1053353"	186.409723333333	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2H+Na"	25.00377
"1257258"	567.258886	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+CH3OH+H"	33.033486
"377185"	1107.413958	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+K"	38.963158
"738773"	1641.639358	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+K"	38.963158
"1539908"	573.188558	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+K"	38.963158
"298572"	554.210617	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+H+K"	39.970434
"691798"	821.323317	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+H+K"	39.970434
"1447116"	287.097917	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H+K"	39.970434
"236207"	1110.484626	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+ACN+H"	42.033826
"1210173"	576.259226	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+ACN+H"	42.033826
"1196336"	288.633251	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+ACN+2H"	43.041102
"194675"	1113.42196	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+2Na-H"	44.97116
"630587"	1647.64736	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+2Na-H"	44.97116
"1133364"	579.19656	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2Na-H"	44.97116
"175565"	557.214618	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+2Na"	45.978436
"618405"	824.327318	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+2Na"	45.978436
"1116928"	290.101918	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2Na"	45.978436
"1399967"	193.737037333333	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H+2Na"	46.985712
"1437550"	581.238146	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H+HCOOH"	47.012746
"226153"	562.24764	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+3H2O+2H"	56.04448
"1509475"	595.29019	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+IsoProp+H"	61.06479
"411716"	565.201588	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+Na+K"	61.952376
"771616"	832.314288	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+Na+K"	61.952376
"1669043"	298.088888	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Na+K"	61.952376
"254472"	1132.466568	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+ACN+Na"	64.015768
"1225799"	598.241168	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+ACN+Na"	64.015768
"1714973"	598.264693	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+NH4+HCOOH"	64.039293
"1181788"	201.064351333333	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+3Na"	68.967654
"1650951"	603.220088	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Na+HCOOH"	68.994688
"163650"	1145.36984	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+2K-H"	76.91904
"602116"	1679.59524	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+2K-H"	76.91904
"1088819"	611.14444	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2K-H"	76.91904
"155968"	573.188558	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"2M+2K"	77.926316
"596383"	840.301258	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"3M+2K"	77.926316
"1083210"	306.075858	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2K"	77.926316
"1113501"	613.158992	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2K+H"	78.933592
"1349153"	613.246607	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+DMSO+H"	79.021207
"1019507"	617.285776	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2ACN+H"	83.060376
"1537999"	618.279408	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+IsoProp+Na+H"	84.054008
"1004445"	309.146526	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+2ACN+2H"	84.067652
"1602233"	619.194028	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+K+HCOOH"	84.968628
"1428984"	649.225538	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+H+CF3COOH"	115.000138
"1162310"	329.659801	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+3ACN+2H"	125.094202
"1712636"	666.252085	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+NH4+CF3COOH"	132.026685
"1646662"	671.20748	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+Na+CF3COOH"	136.98208
"1582311"	687.18142	"C09969"	"Sarothralin"	"C31H34O8"	"534.2254"	"M+K+CF3COOH"	152.95602
"809396"	354.1831	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M"	0
"978553"	335.16471	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-H2O-H"	-19.01839
"66794"	235.114790666667	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M-3H"	-3.021828
"507445"	353.175824	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M-3H"	-3.021828
"883060"	117.053757333333	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-3H"	-3.021828
"2730"	353.175824	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M-2H"	-2.014552
"443017"	530.267374	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M-2H"	-2.014552
"820091"	176.084274	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-2H"	-2.014552
"84457"	707.358924	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M-H"	-1.007276
"526205"	1061.542024	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M-H"	-1.007276
"901817"	353.175824	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-H"	-1.007276
"58382"	724.385471	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M-2H+NH4"	16.019271
"496848"	1078.568571	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M-2H+NH4"	16.019271
"876109"	370.202371	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-2H+NH4"	16.019271
"41457"	729.340866	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M-2H+Na"	20.974666
"473609"	1083.523966	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M-2H+Na"	20.974666
"851168"	375.157766	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-2H+Na"	20.974666
"1623989"	375.157766	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Na-2H"	20.974666
"98330"	371.164163	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M-H+Cl"	33.962126
"541171"	548.255713	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M-H+Cl"	33.962126
"928488"	194.072613	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-H+Cl"	33.962126
"268502"	743.335602	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+Cl"	34.969402
"660566"	1097.518702	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+Cl"	34.969402
"1288335"	389.152502	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Cl"	34.969402
"30691"	745.314806	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M-2H+K"	36.948606
"470527"	1099.497906	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M-2H+K"	36.948606
"848208"	391.131706	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-2H+K"	36.948606
"1570480"	391.131706	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+K-2H"	36.948606
"958300"	399.181294	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-H+HCOOH"	44.998194
"376664"	753.364401	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+HCOOH-H"	44.998201
"360218"	767.380051	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+Hac-H"	59.013851
"1507229"	413.196951	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Hac-H"	59.013851
"973797"	421.163251	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-H+NaCOOH"	66.980151
"124039"	389.152502	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+2Cl"	69.938804
"563236"	566.244052	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+2Cl"	69.938804
"1035319"	212.060952	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2Cl"	69.938804
"1255623"	433.101985	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Br"	78.918885
"1318068"	435.157972	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Cl+HCOOH"	80.974872
"1334106"	457.139929	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Cl+NaCOOH"	102.956829
"926501"	467.168686	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M-H+CF3COOH"	112.985586
"1295674"	503.145364	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Cl+CF3COOH"	148.962264
"1371647"	319.170424	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H-2H2O"	-35.012676
"1388050"	337.1804	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H-H2O"	-17.0027
"287010"	709.373476	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+H"	1.007276
"681256"	1063.556576	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+H"	1.007276
"1355415"	355.190376	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H"	1.007276
"129037"	355.190376	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+2H"	2.014552
"576619"	532.281926	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+2H"	2.014552
"1043235"	178.098826	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2H"	2.014552
"213322"	237.129342666667	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+3H"	3.021828
"650700"	355.190376	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+3H"	3.021828
"1169919"	119.068309333333	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+3H"	3.021828
"428819"	726.400023	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+NH4"	18.033823
"788721"	1080.583123	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+NH4"	18.033823
"1687241"	372.216923	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+NH4"	18.033823
"343904"	363.7036495	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+H+NH4"	19.041099
"735596"	540.7951995	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+H+NH4"	19.041099
"1482855"	186.6120995	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H+NH4"	19.041099
"401535"	731.355418	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+Na"	22.989218
"757795"	1085.538518	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+Na"	22.989218
"1609537"	377.172318	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Na"	22.989218
"318485"	366.181347	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+H+Na"	23.996494
"707499"	543.272897	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+H+Na"	23.996494
"1462902"	189.089797	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H+Na"	23.996494
"1052859"	126.395623333333	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2H+Na"	25.00377
"1258308"	387.216586	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+CH3OH+H"	33.033486
"378096"	747.329358	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+K"	38.963158
"739453"	1101.512458	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+K"	38.963158
"1541637"	393.146258	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+K"	38.963158
"302821"	374.168317	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+H+K"	39.970434
"696335"	551.259867	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+H+K"	39.970434
"1446510"	197.076767	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H+K"	39.970434
"236570"	750.400026	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+ACN+H"	42.033826
"1211829"	396.216926	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+ACN+H"	42.033826
"1198635"	198.612101	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+ACN+2H"	43.041102
"193693"	753.33736	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+2Na-H"	44.97116
"634348"	1107.52046	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+2Na-H"	44.97116
"1133479"	399.15426	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2Na-H"	44.97116
"181145"	377.172318	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+2Na"	45.978436
"621796"	554.263868	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+2Na"	45.978436
"1127491"	200.080768	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2Na"	45.978436
"1409922"	133.722937333333	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H+2Na"	46.985712
"1437663"	401.195846	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H+HCOOH"	47.012746
"230639"	382.20534	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+3H2O+2H"	56.04448
"1515418"	415.24789	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+IsoProp+H"	61.06479
"412918"	385.159288	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+Na+K"	61.952376
"772454"	562.250838	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+Na+K"	61.952376
"1670247"	208.067738	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Na+K"	61.952376
"258957"	772.381968	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+ACN+Na"	64.015768
"1225874"	418.198868	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+ACN+Na"	64.015768
"1713261"	418.222393	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+NH4+HCOOH"	64.039293
"1181899"	141.050251333333	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+3Na"	68.967654
"1652883"	423.177788	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Na+HCOOH"	68.994688
"160470"	785.28524	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+2K-H"	76.91904
"601133"	1139.46834	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+2K-H"	76.91904
"1086374"	431.10214	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2K-H"	76.91904
"146841"	393.146258	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"2M+2K"	77.926316
"594792"	570.237808	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"3M+2K"	77.926316
"1082221"	216.054708	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2K"	77.926316
"1112512"	433.116692	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2K+H"	78.933592
"1347081"	433.204307	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+DMSO+H"	79.021207
"1015609"	437.243476	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2ACN+H"	83.060376
"1537382"	438.237108	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+IsoProp+Na+H"	84.054008
"994715"	219.125376	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+2ACN+2H"	84.067652
"1597966"	439.151728	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+K+HCOOH"	84.968628
"1428731"	469.183238	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+H+CF3COOH"	115.000138
"1162541"	239.638651	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+3ACN+2H"	125.094202
"1712299"	486.209785	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+NH4+CF3COOH"	132.026685
"1643492"	491.16518	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+Na+CF3COOH"	136.98208
"1582421"	507.13912	"C09970"	"Tephrowatsin A"	"C22H26O4"	"354.1831"	"M+K+CF3COOH"	152.95602
"809506"	430.1416	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M"	0
"976476"	411.12321	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-H2O-H"	-19.01839
"63256"	285.753790666667	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M-3H"	-3.021828
"505368"	429.134324	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M-3H"	-3.021828
"881101"	142.373257333333	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-3H"	-3.021828
"2108"	429.134324	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M-2H"	-2.014552
"443492"	644.205124	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M-2H"	-2.014552
"821293"	214.063524	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-2H"	-2.014552
"84565"	859.275924	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M-H"	-1.007276
"525220"	1289.417524	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M-H"	-1.007276
"899016"	429.134324	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-H"	-1.007276
"50840"	876.302471	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M-2H+NH4"	16.019271
"493678"	1306.444071	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M-2H+NH4"	16.019271
"870389"	446.160871	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-2H+NH4"	16.019271
"42661"	881.257866	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M-2H+Na"	20.974666
"473844"	1311.399466	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M-2H+Na"	20.974666
"852372"	451.116266	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-2H+Na"	20.974666
"1623005"	451.116266	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Na-2H"	20.974666
"98440"	447.122663	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M-H+Cl"	33.962126
"536178"	662.193463	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M-H+Cl"	33.962126
"931146"	232.051863	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-H+Cl"	33.962126
"268976"	895.252602	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+Cl"	34.969402
"661040"	1325.394202	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+Cl"	34.969402
"1286209"	465.111002	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Cl"	34.969402
"31314"	897.231806	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M-2H+K"	36.948606
"471005"	1327.373406	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M-2H+K"	36.948606
"845763"	467.090206	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-2H+K"	36.948606
"1569859"	467.090206	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+K-2H"	36.948606
"957622"	475.139794	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-H+HCOOH"	44.998194
"376881"	905.281401	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+HCOOH-H"	44.998201
"361182"	919.297051	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+Hac-H"	59.013851
"1506488"	489.155451	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Hac-H"	59.013851
"972448"	497.121751	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-H+NaCOOH"	66.980151
"120139"	465.111002	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+2Cl"	69.938804
"563348"	680.181802	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+2Cl"	69.938804
"1030685"	250.040202	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2Cl"	69.938804
"1255366"	509.060485	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Br"	78.918885
"1310524"	511.116472	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Cl+HCOOH"	80.974872
"1330206"	533.098429	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Cl+NaCOOH"	102.956829
"923816"	543.127186	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M-H+CF3COOH"	112.985586
"1296877"	579.103864	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Cl+CF3COOH"	148.962264
"1373944"	395.128924	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H-2H2O"	-35.012676
"1390348"	413.1389	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H-H2O"	-17.0027
"288942"	861.290476	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+H"	1.007276
"681366"	1291.432076	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+H"	1.007276
"1358807"	431.148876	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H"	1.007276
"128419"	431.148876	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+2H"	2.014552
"573447"	646.219676	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+2H"	2.014552
"1045531"	216.078076	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2H"	2.014552
"215254"	287.768342666667	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+3H"	3.021828
"648619"	431.148876	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+3H"	3.021828
"1167838"	144.387809333333	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+3H"	3.021828
"426741"	878.317023	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+NH4"	18.033823
"787738"	1308.458623	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+NH4"	18.033823
"1691726"	448.175423	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+NH4"	18.033823
"344625"	439.6621495	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+H+NH4"	19.041099
"730238"	654.7329495	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+H+NH4"	19.041099
"1478592"	224.5913495	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H+NH4"	19.041099
"401645"	883.272418	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+Na"	22.989218
"760457"	1313.414018	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+Na"	22.989218
"1612927"	453.130818	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Na"	22.989218
"318595"	442.139847	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+H+Na"	23.996494
"708459"	657.210647	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+H+Na"	23.996494
"1462403"	227.069047	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H+Na"	23.996494
"1053581"	151.715123333333	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2H+Na"	25.00377
"1259390"	463.175086	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+CH3OH+H"	33.033486
"379787"	899.246358	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+K"	38.963158
"740779"	1329.387958	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+K"	38.963158
"1541380"	469.104758	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+K"	38.963158
"302932"	450.126817	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+H+K"	39.970434
"693528"	665.197617	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+H+K"	39.970434
"1450266"	235.056017	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H+K"	39.970434
"239962"	902.317026	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+ACN+H"	42.033826
"1211941"	472.175426	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+ACN+H"	42.033826
"1199838"	236.591351	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+ACN+2H"	43.041102
"194896"	905.25436	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+2Na-H"	44.97116
"634458"	1335.39596	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+2Na-H"	44.97116
"1140151"	475.11276	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2Na-H"	44.97116
"181254"	453.130818	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+2Na"	45.978436
"625188"	668.201618	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+2Na"	45.978436
"1124324"	238.060018	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2Na"	45.978436
"1410034"	159.042437333333	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H+2Na"	46.985712
"1439960"	477.154346	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H+HCOOH"	47.012746
"231843"	458.16384	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+3H2O+2H"	56.04448
"1512248"	491.20639	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+IsoProp+H"	61.06479
"415216"	461.117788	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+Na+K"	61.952376
"777304"	676.188588	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+Na+K"	61.952376
"1671451"	246.046988	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Na+K"	61.952376
"259067"	924.298968	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+ACN+Na"	64.015768
"1227765"	494.157368	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+ACN+Na"	64.015768
"1715558"	494.180893	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+NH4+HCOOH"	64.039293
"1182008"	166.369751333333	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+3Na"	68.967654
"1652630"	499.136288	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Na+HCOOH"	68.994688
"160217"	937.20224	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+2K-H"	76.91904
"599057"	1367.34384	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+2K-H"	76.91904
"1087942"	507.06064	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2K-H"	76.91904
"146951"	469.104758	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"2M+2K"	77.926316
"591979"	684.175558	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"3M+2K"	77.926316
"1082325"	254.033958	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2K"	77.926316
"1113350"	509.075192	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2K+H"	78.933592
"1349615"	509.162807	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+DMSO+H"	79.021207
"1016804"	513.201976	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2ACN+H"	83.060376
"1537118"	514.195608	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+IsoProp+Na+H"	84.054008
"1001385"	257.104626	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+2ACN+2H"	84.067652
"1600263"	515.110228	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+K+HCOOH"	84.968628
"1428476"	545.141738	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+H+CF3COOH"	115.000138
"1162166"	277.617901	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+3ACN+2H"	125.094202
"1712489"	562.168285	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+NH4+CF3COOH"	132.026685
"1643602"	567.12368	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+Na+CF3COOH"	136.98208
"1582531"	583.09762	"C09971"	"Stypandrol"	"C26H22O6"	"430.1416"	"M+K+CF3COOH"	152.95602
"809616"	914.1542	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M"	0
"978043"	895.13581	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-H2O-H"	-19.01839
"64827"	608.428857333333	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M-3H"	-3.021828
"506571"	913.146924	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M-3H"	-3.021828
"884372"	303.710790666667	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-3H"	-3.021828
"4040"	913.146924	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M-2H"	-2.014552
"444695"	1370.224024	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M-2H"	-2.014552
"823590"	456.069824	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-2H"	-2.014552
"81399"	1827.301124	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M-H"	-1.007276
"522055"	2741.455324	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M-H"	-1.007276
"900951"	913.146924	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-H"	-1.007276
"53136"	1844.327671	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M-2H+NH4"	16.019271
"490875"	2758.481871	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M-2H+NH4"	16.019271
"872685"	930.173471	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-2H+NH4"	16.019271
"44594"	1849.283066	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M-2H+Na"	20.974666
"475777"	2763.437266	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M-2H+Na"	20.974666
"853576"	935.128866	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-2H+Na"	20.974666
"1620922"	935.128866	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Na-2H"	20.974666
"100737"	931.135263	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M-H+Cl"	33.962126
"536288"	1388.212363	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M-H+Cl"	33.962126
"929799"	474.058163	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-H+Cl"	33.962126
"269449"	1863.277802	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+Cl"	34.969402
"662973"	2777.432002	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+Cl"	34.969402
"1288330"	949.123602	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Cl"	34.969402
"30593"	1865.257006	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M-2H+K"	36.948606
"471283"	2779.411206	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M-2H+K"	36.948606
"848297"	951.102806	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-2H+K"	36.948606
"1571072"	951.102806	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+K-2H"	36.948606
"957246"	959.152394	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-H+HCOOH"	44.998194
"375704"	1873.306601	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+HCOOH-H"	44.998201
"361242"	1887.322251	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+Hac-H"	59.013851
"1507328"	973.168051	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Hac-H"	59.013851
"970980"	981.134351	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-H+NaCOOH"	66.980151
"123894"	949.123602	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+2Cl"	69.938804
"563457"	1406.200702	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+2Cl"	69.938804
"1031888"	492.046502	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2Cl"	69.938804
"1255480"	993.073085	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Br"	78.918885
"1312820"	995.129072	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Cl+HCOOH"	80.974872
"1328129"	1017.111029	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Cl+NaCOOH"	102.956829
"924290"	1027.139786	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M-H+CF3COOH"	112.985586
"1294800"	1063.116464	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Cl+CF3COOH"	148.962264
"1374054"	879.141524	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H-2H2O"	-35.012676
"1390458"	897.1515	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H-H2O"	-17.0027
"287594"	1829.315676	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+H"	1.007276
"680746"	2743.469876	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+H"	1.007276
"1358916"	915.161476	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H"	1.007276
"128892"	915.161476	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+2H"	2.014552
"568818"	1372.238576	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+2H"	2.014552
"1048193"	458.084376	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2H"	2.014552
"212448"	610.443409333333	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+3H"	3.021828
"647636"	915.161476	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+3H"	3.021828
"1173417"	305.725342666667	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+3H"	3.021828
"431227"	1846.342223	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+NH4"	18.033823
"787849"	2760.496423	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+NH4"	18.033823
"1692929"	932.188023	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+NH4"	18.033823
"344493"	923.6747495	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+H+NH4"	19.041099
"737275"	1380.7518495	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+H+NH4"	19.041099
"1485262"	466.5976495	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H+NH4"	19.041099
"403943"	1851.297618	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+Na"	22.989218
"757650"	2765.451818	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+Na"	22.989218
"1613037"	937.143418	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Na"	22.989218
"325262"	926.152447	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+H+Na"	23.996494
"707968"	1383.229547	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+H+Na"	23.996494
"1462759"	469.075347	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H+Na"	23.996494
"1057098"	313.052656666667	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2H+Na"	25.00377
"1258046"	947.187686	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+CH3OH+H"	33.033486
"379537"	1867.271558	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+K"	38.963158
"741627"	2781.425758	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+K"	38.963158
"1545866"	953.117358	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+K"	38.963158
"303042"	934.139417	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+H+K"	39.970434
"699836"	1391.216517	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+H+K"	39.970434
"1447096"	477.062317	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H+K"	39.970434
"237885"	1870.342226	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+ACN+H"	42.033826
"1210593"	956.188026	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+ACN+H"	42.033826
"1201041"	478.597651	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+ACN+2H"	43.041102
"195006"	1873.27956	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+2Na-H"	44.97116
"635661"	2787.43376	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+2Na-H"	44.97116
"1135886"	959.12536	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2Na-H"	44.97116
"181364"	937.143418	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+2Na"	45.978436
"626756"	1394.220518	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+2Na"	45.978436
"1129535"	480.066318	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2Na"	45.978436
"1411967"	320.379970666667	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H+2Na"	46.985712
"1443350"	961.166946	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H+HCOOH"	47.012746
"233046"	942.17644	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+3H2O+2H"	56.04448
"1516733"	975.21899	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+IsoProp+H"	61.06479
"417514"	945.130388	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+Na+K"	61.952376
"776323"	1402.207488	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+Na+K"	61.952376
"1673747"	488.053288	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Na+K"	61.952376
"260269"	1892.324168	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+ACN+Na"	64.015768
"1229701"	978.169968	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+ACN+Na"	64.015768
"1719676"	978.193493	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+NH4+HCOOH"	64.039293
"1185034"	327.707284666667	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+3Na"	68.967654
"1653833"	983.148888	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Na+HCOOH"	68.994688
"160691"	1905.22744	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+2K-H"	76.91904
"601353"	2819.38164	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+2K-H"	76.91904
"1089146"	991.07324	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2K-H"	76.91904
"148154"	953.117358	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"2M+2K"	77.926316
"592089"	1410.194458	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"3M+2K"	77.926316
"1082921"	496.040258	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2K"	77.926316
"1110909"	993.087792	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2K+H"	78.933592
"1347293"	993.175407	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+DMSO+H"	79.021207
"1013634"	997.214576	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2ACN+H"	83.060376
"1535042"	998.208208	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+IsoProp+Na+H"	84.054008
"1000402"	499.110926	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+2ACN+2H"	84.067652
"1599278"	999.122828	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+K+HCOOH"	84.968628
"1428585"	1029.154338	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+H+CF3COOH"	115.000138
"1160693"	519.624201	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+3ACN+2H"	125.094202
"1712517"	1046.180885	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+NH4+CF3COOH"	132.026685
"1648816"	1051.13628	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+Na+CF3COOH"	136.98208
"1582641"	1067.11022	"C09972"	"Theasinensin A"	"C44H34O22"	"914.1542"	"M+K+CF3COOH"	152.95602
"809726"	528.1632	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M"	0
"977789"	509.14481	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-H2O-H"	-19.01839
"63596"	351.101524	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M-3H"	-3.021828
"503762"	527.155924	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M-3H"	-3.021828
"880714"	175.047124	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-3H"	-3.021828
"989"	527.155924	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M-2H"	-2.014552
"442617"	791.237524	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M-2H"	-2.014552
"820420"	263.074324	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-2H"	-2.014552
"78590"	1055.319124	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M-H"	-1.007276
"521072"	1583.482324	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M-H"	-1.007276
"898874"	527.155924	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-H"	-1.007276
"48141"	1072.345671	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M-2H+NH4"	16.019271
"489526"	1600.508871	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M-2H+NH4"	16.019271
"868423"	544.182471	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-2H+NH4"	16.019271
"39601"	1077.301066	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M-2H+Na"	20.974666
"472239"	1605.464266	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M-2H+Na"	20.974666
"851499"	549.137866	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-2H+Na"	20.974666
"1621033"	549.137866	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Na-2H"	20.974666
"97564"	545.144263	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M-H+Cl"	33.962126
"536034"	809.225863	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M-H+Cl"	33.962126
"929181"	281.062663	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-H+Cl"	33.962126
"267415"	1091.295802	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+Cl"	34.969402
"667094"	1619.459002	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+Cl"	34.969402
"1286429"	563.132602	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Cl"	34.969402
"31408"	1093.275006	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M-2H+K"	36.948606
"471335"	1621.438206	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M-2H+K"	36.948606
"848479"	565.111806	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-2H+K"	36.948606
"1571238"	565.111806	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+K-2H"	36.948606
"957965"	573.161394	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-H+HCOOH"	44.998194
"375571"	1101.324601	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+HCOOH-H"	44.998201
"359454"	1115.340251	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+Hac-H"	59.013851
"1506826"	587.177051	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Hac-H"	59.013851
"972547"	595.143351	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-H+NaCOOH"	66.980151
"123644"	563.132602	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+2Cl"	69.938804
"563811"	827.214202	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+2Cl"	69.938804
"1035281"	299.051002	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2Cl"	69.938804
"1254859"	607.082085	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Br"	78.918885
"1311836"	609.138072	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Cl+HCOOH"	80.974872
"1333343"	631.120029	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Cl+NaCOOH"	102.956829
"923305"	641.148786	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M-H+CF3COOH"	112.985586
"1294910"	677.125464	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Cl+CF3COOH"	148.962264
"1371977"	493.150524	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H-2H2O"	-35.012676
"1389475"	511.1605	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H-H2O"	-17.0027
"288069"	1057.333676	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+H"	1.007276
"680856"	1585.496876	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+H"	1.007276
"1357932"	529.170476	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H"	1.007276
"130096"	529.170476	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+2H"	2.014552
"569292"	793.252076	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+2H"	2.014552
"1049764"	265.088876	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2H"	2.014552
"210373"	353.116076	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+3H"	3.021828
"653215"	529.170476	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+3H"	3.021828
"1173527"	177.061676	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+3H"	3.021828
"430239"	1074.360223	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+NH4"	18.033823
"787959"	1602.523423	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+NH4"	18.033823
"1696320"	546.197023	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+NH4"	18.033823
"345088"	537.6837495	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+H+NH4"	19.041099
"734833"	801.7653495	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+H+NH4"	19.041099
"1485372"	273.6021495	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H+NH4"	19.041099
"404053"	1079.315618	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+Na"	22.989218
"757760"	1607.478818	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+Na"	22.989218
"1616427"	551.152418	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Na"	22.989218
"327558"	540.161447	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+H+Na"	23.996494
"708681"	804.243047	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+H+Na"	23.996494
"1462015"	276.079847	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H+Na"	23.996494
"1055749"	184.38899	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2H+Na"	25.00377
"1258155"	561.196686	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+CH3OH+H"	33.033486
"379649"	1095.289558	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+K"	38.963158
"740646"	1623.452758	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+K"	38.963158
"1541605"	567.126358	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+K"	38.963158
"302059"	548.148417	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+H+K"	39.970434
"699946"	812.230017	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+H+K"	39.970434
"1446113"	284.066817	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H+K"	39.970434
"240182"	1098.360226	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+ACN+H"	42.033826
"1213984"	570.197026	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+ACN+H"	42.033826
"1200058"	285.602151	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+ACN+2H"	43.041102
"194021"	1101.29756	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+2Na-H"	44.97116
"635771"	1629.46076	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+2Na-H"	44.97116
"1134903"	573.13436	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2Na-H"	44.97116
"180380"	551.152418	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+2Na"	45.978436
"625773"	815.234018	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+2Na"	45.978436
"1129280"	287.070818	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2Na"	45.978436
"1412805"	191.716304	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H+2Na"	46.985712
"1439085"	575.175946	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H+HCOOH"	47.012746
"234615"	556.18544	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+3H2O+2H"	56.04448
"1516843"	589.22799	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+IsoProp+H"	61.06479
"417624"	559.139388	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+Na+K"	61.952376
"779713"	823.220988	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+Na+K"	61.952376
"1678232"	295.057788	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Na+K"	61.952376
"261473"	1120.342168	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+ACN+Na"	64.015768
"1237462"	592.178968	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+ACN+Na"	64.015768
"1721976"	592.202493	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+NH4+HCOOH"	64.039293
"1185143"	199.043618	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+3Na"	68.967654
"1655036"	597.157888	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Na+HCOOH"	68.994688
"162988"	1133.24544	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+2K-H"	76.91904
"600366"	1661.40864	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+2K-H"	76.91904
"1085976"	605.08224	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2K-H"	76.91904
"148264"	567.126358	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"2M+2K"	77.926316
"591105"	831.207958	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"3M+2K"	77.926316
"1083152"	303.044758	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2K"	77.926316
"1113934"	607.096792	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2K+H"	78.933592
"1347400"	607.184407	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+DMSO+H"	79.021207
"1013744"	611.223576	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2ACN+H"	83.060376
"1536244"	612.217208	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+IsoProp+Na+H"	84.054008
"1001605"	306.115426	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+2ACN+2H"	84.067652
"1599389"	613.131828	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+K+HCOOH"	84.968628
"1429305"	643.163338	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+H+CF3COOH"	115.000138
"1158616"	326.628701	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+3ACN+2H"	125.094202
"1711448"	660.189885	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+NH4+CF3COOH"	132.026685
"1648805"	665.14528	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+Na+CF3COOH"	136.98208
"1582751"	681.11922	"C09973"	"Tremulacin"	"C27H28O11"	"528.1632"	"M+K+CF3COOH"	152.95602
"801517"	194.0579	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M"	0
"974254"	175.03951	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"63221"	128.364657333333	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"504238"	193.050624	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"881310"	63.6786906666667	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"614"	193.050624	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"440540"	290.079574	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"819801"	96.021674	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"79066"	387.108524	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"522275"	581.166424	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"898984"	193.050624	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"47887"	404.135071	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"488178"	598.192971	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"874000"	210.077171	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"39712"	409.090466	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"472712"	603.148366	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"851611"	215.032566	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1620778"	215.032566	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"95488"	211.038963	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"536508"	308.067913	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"928198"	114.010013	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"268091"	423.085202	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"667204"	617.143102	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1288443"	229.027302	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"31218"	425.064406	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"471090"	619.122306	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"848165"	231.006506	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1571029"	231.006506	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"958197"	239.056094	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"376045"	433.114001	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"361112"	447.129651	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1505844"	253.071751	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"970465"	261.038051	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"123021"	229.027302	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"564041"	326.056252	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1034295"	131.998352	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1251687"	272.976785	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1311945"	275.032772	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1331265"	297.014729	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"921230"	307.043486	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1293198"	343.020164	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1372088"	159.045224	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1388491"	177.0552	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"291459"	389.123076	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"680599"	583.180976	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1356948"	195.065176	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"129112"	195.065176	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"568306"	292.094126	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1051577"	98.036226	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"210483"	130.379209333333	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"651138"	195.065176	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1172909"	65.6932426666667	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"427069"	406.149623	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"788069"	600.207523	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1696309"	212.091723	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"344346"	203.5784495	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"734943"	300.6073995	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1490586"	106.5494995	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"405256"	411.105018	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"766253"	605.162918	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1616536"	217.047118	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"327546"	206.056147	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"711707"	303.085097	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1462612"	109.027197	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1053307"	73.0205566666667	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1258630"	227.091386	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"381215"	427.078958	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"740755"	621.136858	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1543172"	233.021058	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"302170"	214.043117	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"695683"	311.072067	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1446344"	117.014167	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"240292"	430.149626	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1211907"	236.091726	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1200168"	118.549501	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"196320"	433.08696	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"635881"	627.14486	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1135013"	239.02906	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"182677"	217.047118	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"626979"	314.076068	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1129028"	120.018168	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1411093"	80.3478706666667	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1441383"	241.070646	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"233265"	222.08014	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1516953"	255.12269	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"413360"	225.034088	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"779824"	322.063038	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1679801"	128.005138	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"259396"	452.131568	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1234291"	258.073668	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1720992"	258.097193	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1184160"	87.6751846666667	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1654781"	263.052588	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"162733"	465.03484	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"599748"	659.09274	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1086450"	270.97694	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"150560"	233.021058	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"593401"	330.050008	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1083141"	135.992108	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1115139"	272.991492	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1347510"	273.079107	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1013853"	277.118276	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1537447"	278.111908	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"1002802"	139.062776	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1601930"	279.026528	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1429873"	309.058038	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1160913"	159.576051	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1706090"	326.084585	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1648307"	331.03998	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1582861"	347.01392	"C09974"	"248-Trihydroxy-1-tetralone"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"802291"	286.0841	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M"	0
"974878"	267.06571	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"63406"	189.715457333333	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"503335"	285.076824	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"880488"	94.3540906666667	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"1332"	285.076824	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"441137"	428.118874	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"818452"	142.034774	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"79544"	571.160924	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"521293"	857.245024	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"900188"	285.076824	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"49093"	588.187471	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"489017"	874.271571	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"869735"	302.103371	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"39823"	593.142866	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"472825"	879.226966	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"851721"	307.058766	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1620160"	307.058766	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"97784"	303.065163	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"539534"	446.107213	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"927580"	160.023113	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"267240"	607.137602	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"670597"	893.221702	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1287750"	321.053502	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"30304"	609.116806	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"469499"	895.200906	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"847546"	323.032706	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1570787"	323.032706	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"958227"	331.082294	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"376968"	617.166401	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"360410"	631.182051	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1507778"	345.097951	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"970214"	353.064251	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"122403"	321.053502	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"564153"	464.095552	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1035137"	178.011452	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1251797"	365.002985	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1313151"	367.058972	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1328460"	389.040929	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"921704"	399.069686	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1294038"	435.046364	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1372199"	251.071424	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1388602"	269.0814	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"291569"	573.175476	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"686178"	859.259576	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1357061"	287.091376	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"129951"	287.091376	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"568051"	430.133426	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1051806"	144.049326	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"211686"	191.730009333333	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"646872"	287.091376	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1169372"	96.3686426666667	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"430459"	590.202023	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"796926"	876.286123	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1695692"	304.117923	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"341543"	295.6046495	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"733964"	438.6466995	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1487781"	152.5625995	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"405367"	595.157418	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"760897"	881.241518	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1616161"	309.073318	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"327777"	298.082347	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"720201"	441.124397	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1462357"	155.040297	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1053417"	103.695956666667	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1258011"	319.117586	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"378775"	611.131358	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"740137"	897.215458	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1541825"	325.047258	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"303373"	306.069317	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"696887"	449.111367	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1449613"	163.027267	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"242589"	614.202026	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1217488"	328.117926	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1201373"	164.562601	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"196430"	617.13936	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"639271"	903.22346	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1135123"	331.05526	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"183516"	309.073318	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"624537"	452.115368	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1129141"	166.031268	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1411935"	111.023270666667	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1440400"	333.096846	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"233744"	314.10634	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1521075"	347.14889	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"412376"	317.060288	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"781029"	460.102338	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1679183"	174.018238	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"259506"	636.183968	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1235132"	350.099868	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1722195"	350.123393	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1185364"	118.350584666667	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1655619"	355.078788	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"162115"	649.08724	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"603868"	935.17134	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1087281"	363.00314	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"150667"	325.047258	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"589136"	468.089308	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1078024"	182.005208	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1107950"	365.017692	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1345429"	365.105307	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1012870"	369.144476	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1534281"	370.138108	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"1001821"	185.075876	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1599608"	371.052728	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1429844"	401.084238	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1160658"	205.589151	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1708387"	418.110785	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1649673"	423.06618	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1582971"	439.04012	"C09975"	"246-Trihydroxy-3-formyldihydrochalcone"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"802765"	326.1518	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M"	0
"974670"	307.13341	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-H2O-H"	-19.01839
"65263"	216.427257333333	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M-3H"	-3.021828
"503609"	325.144524	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M-3H"	-3.021828
"883718"	107.709990666667	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-3H"	-3.021828
"1321"	325.144524	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M-2H"	-2.014552
"441489"	488.220424	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M-2H"	-2.014552
"818684"	162.068624	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-2H"	-2.014552
"80260"	651.296324	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M-H"	-1.007276
"521403"	977.448124	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M-H"	-1.007276
"901391"	325.144524	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-H"	-1.007276
"49203"	668.322871	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M-2H+NH4"	16.019271
"489127"	994.474671	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M-2H+NH4"	16.019271
"869845"	342.171071	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-2H+NH4"	16.019271
"39933"	673.278266	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M-2H+Na"	20.974666
"473055"	999.430066	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M-2H+Na"	20.974666
"852924"	347.126466	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-2H+Na"	20.974666
"1620025"	347.126466	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Na-2H"	20.974666
"95708"	343.132863	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M-H+Cl"	33.962126
"534660"	506.208763	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M-H+Cl"	33.962126
"927686"	180.056963	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-H+Cl"	33.962126
"267700"	687.273002	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+Cl"	34.969402
"671435"	1013.424802	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+Cl"	34.969402
"1287865"	361.121202	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Cl"	34.969402
"31148"	689.252206	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M-2H+K"	36.948606
"469855"	1015.404006	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M-2H+K"	36.948606
"846686"	363.100406	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-2H+K"	36.948606
"1569688"	363.100406	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+K-2H"	36.948606
"956591"	371.149994	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-H+HCOOH"	44.998194
"375662"	697.301801	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+HCOOH-H"	44.998201
"361279"	711.317451	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+Hac-H"	59.013851
"1507161"	385.165651	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Hac-H"	59.013851
"971417"	393.131951	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-H+NaCOOH"	66.980151
"122513"	361.121202	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+2Cl"	69.938804
"563899"	524.197102	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+2Cl"	69.938804
"1035612"	198.045302	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2Cl"	69.938804
"1251543"	405.070685	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Br"	78.918885
"1312167"	407.126672	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Cl+HCOOH"	80.974872
"1327475"	429.108629	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Cl+NaCOOH"	102.956829
"919627"	439.137386	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M-H+CF3COOH"	112.985586
"1295241"	475.114064	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Cl+CF3COOH"	148.962264
"1374496"	291.139124	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H-2H2O"	-35.012676
"1387619"	309.1491	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H-H2O"	-17.0027
"289492"	653.310876	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+H"	1.007276
"680820"	979.462676	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+H"	1.007276
"1357171"	327.159076	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H"	1.007276
"128239"	327.159076	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+2H"	2.014552
"571076"	490.234976	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+2H"	2.014552
"1050460"	164.083176	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2H"	2.014552
"213620"	218.441809333333	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+3H"	3.021828
"645888"	327.159076	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+3H"	3.021828
"1163282"	109.724542666667	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+3H"	3.021828
"428381"	670.337423	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+NH4"	18.033823
"791564"	996.489223	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+NH4"	18.033823
"1691176"	344.185623	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+NH4"	18.033823
"334353"	335.6723495	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+H+NH4"	19.041099
"735168"	498.7482495	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+H+NH4"	19.041099
"1487891"	172.5964495	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H+NH4"	19.041099
"405477"	675.292818	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+Na"	22.989218
"769148"	1001.444618	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+Na"	22.989218
"1616758"	349.141018	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Na"	22.989218
"324608"	338.150047	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+H+Na"	23.996494
"717030"	501.225947	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+H+Na"	23.996494
"1465747"	175.074147	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H+Na"	23.996494
"1056807"	117.051856666667	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2H+Na"	25.00377
"1259578"	359.185286	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+CH3OH+H"	33.033486
"380344"	691.266758	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+K"	38.963158
"740366"	1017.418558	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+K"	38.963158
"1542298"	365.114958	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+K"	38.963158
"306762"	346.137017	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+H+K"	39.970434
"696998"	509.212917	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+H+K"	39.970434
"1453003"	183.061117	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H+K"	39.970434
"241605"	694.337426	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+ACN+H"	42.033826
"1218691"	368.185626	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+ACN+H"	42.033826
"1199296"	184.596451	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+ACN+2H"	43.041102
"194353"	697.27476	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+2Na-H"	44.97116
"637194"	1023.42656	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+2Na-H"	44.97116
"1137419"	371.12296	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2Na-H"	44.97116
"179616"	349.141018	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+2Na"	45.978436
"624644"	512.216918	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+2Na"	45.978436
"1127787"	186.065118	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2Na"	45.978436
"1412043"	124.379170666667	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H+2Na"	46.985712
"1440510"	373.164546	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H+HCOOH"	47.012746
"228018"	354.17404	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+3H2O+2H"	56.04448
"1517173"	387.21659	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+IsoProp+H"	61.06479
"412486"	357.127988	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+Na+K"	61.952376
"781503"	520.203888	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+Na+K"	61.952376
"1676013"	194.052088	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Na+K"	61.952376
"259252"	716.319368	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+ACN+Na"	64.015768
"1235972"	390.167568	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+ACN+Na"	64.015768
"1723766"	390.191093	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+NH4+HCOOH"	64.039293
"1187658"	131.706484666667	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+3Na"	68.967654
"1654636"	395.146488	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Na+HCOOH"	68.994688
"161496"	729.22264	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+2K-H"	76.91904
"603978"	1055.37444	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+2K-H"	76.91904
"1086664"	403.07084	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2K-H"	76.91904
"149684"	365.114958	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"2M+2K"	77.926316
"588149"	528.190858	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"3M+2K"	77.926316
"1077041"	202.039058	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2K"	77.926316
"1104781"	405.085392	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2K+H"	78.933592
"1343353"	405.173007	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+DMSO+H"	79.021207
"1011887"	409.212176	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2ACN+H"	83.060376
"1535120"	410.205808	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+IsoProp+Na+H"	84.054008
"1001931"	205.109726	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+2ACN+2H"	84.067652
"1601177"	411.120428	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+K+HCOOH"	84.968628
"1429515"	441.151938	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+H+CF3COOH"	115.000138
"1161861"	225.623001	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+3ACN+2H"	125.094202
"1708497"	458.178485	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+NH4+CF3COOH"	132.026685
"1649619"	463.13388	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+Na+CF3COOH"	136.98208
"1583081"	479.10782	"C09976"	"Uncinatone"	"C20H22O4"	"326.1518"	"M+K+CF3COOH"	152.95602
"802024"	410.2093	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M"	0
"975069"	391.19091	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-H2O-H"	-19.01839
"62995"	272.465590666667	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M-3H"	-3.021828
"503476"	409.202024	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M-3H"	-3.021828
"881642"	135.729157333333	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-3H"	-3.021828
"1310"	409.202024	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M-2H"	-2.014552
"442328"	614.306674	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M-2H"	-2.014552
"817820"	204.097374	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-2H"	-2.014552
"80487"	819.411324	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M-H"	-1.007276
"519687"	1229.620624	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M-H"	-1.007276
"897124"	409.202024	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-H"	-1.007276
"49312"	836.437871	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M-2H+NH4"	16.019271
"488145"	1246.647171	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M-2H+NH4"	16.019271
"868862"	426.228571	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-2H+NH4"	16.019271
"40043"	841.393266	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M-2H+Na"	20.974666
"474138"	1251.602566	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M-2H+Na"	20.974666
"855219"	431.183966	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-2H+Na"	20.974666
"1620379"	431.183966	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Na-2H"	20.974666
"95446"	427.190363	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M-H+Cl"	33.962126
"535008"	632.295013	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M-H+Cl"	33.962126
"927798"	222.085713	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-H+Cl"	33.962126
"267565"	855.388002	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+Cl"	34.969402
"672637"	1265.597302	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+Cl"	34.969402
"1286881"	445.178702	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Cl"	34.969402
"30168"	857.367206	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M-2H+K"	36.948606
"469964"	1267.576506	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M-2H+K"	36.948606
"847160"	447.157906	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-2H+K"	36.948606
"1571010"	447.157906	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+K-2H"	36.948606
"957065"	455.207494	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-H+HCOOH"	44.998194
"376499"	865.416801	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+HCOOH-H"	44.998201
"360875"	879.432451	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+Hac-H"	59.013851
"1506905"	469.223151	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Hac-H"	59.013851
"971526"	477.189451	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-H+NaCOOH"	66.980151
"122986"	445.178702	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+2Cl"	69.938804
"564738"	650.283352	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+2Cl"	69.938804
"1035601"	240.074052	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2Cl"	69.938804
"1255299"	489.128185	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Br"	78.918885
"1312277"	491.184172	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Cl+HCOOH"	80.974872
"1328680"	513.166129	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Cl+NaCOOH"	102.956829
"918643"	523.194886	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M-H+CF3COOH"	112.985586
"1293166"	559.171564	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Cl+CF3COOH"	148.962264
"1375700"	375.196624	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H-2H2O"	-35.012676
"1387729"	393.2066	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H-H2O"	-17.0027
"287415"	821.425876	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+H"	1.007276
"680930"	1231.635176	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+H"	1.007276
"1356188"	411.216576	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H"	1.007276
"128349"	411.216576	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+2H"	2.014552
"570094"	616.321226	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+2H"	2.014552
"1048384"	206.111926	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2H"	2.014552
"214094"	274.480142666667	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+3H"	3.021828
"648185"	411.216576	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+3H"	3.021828
"1163272"	137.743709333333	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+3H"	3.021828
"427398"	838.452423	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+NH4"	18.033823
"791674"	1248.661723	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+NH4"	18.033823
"1691286"	428.243123	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+NH4"	18.033823
"337380"	419.7298495	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+H+NH4"	19.041099
"731998"	624.8344995	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+H+NH4"	19.041099
"1489093"	214.6251995	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H+NH4"	19.041099
"406680"	843.407818	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+Na"	22.989218
"767676"	1253.617118	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+Na"	22.989218
"1610308"	433.198518	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Na"	22.989218
"326905"	422.207547	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+H+Na"	23.996494
"718234"	627.312197	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+H+Na"	23.996494
"1466588"	217.102897	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H+Na"	23.996494
"1055460"	145.071023333333	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2H+Na"	25.00377
"1258349"	443.242786	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+CH3OH+H"	33.033486
"379721"	859.381758	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+K"	38.963158
"740718"	1269.591058	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+K"	38.963158
"1543136"	449.172458	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+K"	38.963158
"305779"	430.194517	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+H+K"	39.970434
"696015"	635.299167	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+H+K"	39.970434
"1449833"	225.089867	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H+K"	39.970434
"236976"	862.452426	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+ACN+H"	42.033826
"1215521"	452.243126	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+ACN+H"	42.033826
"1199406"	226.625201	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+ACN+2H"	43.041102
"194463"	865.38976	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+2Na-H"	44.97116
"637304"	1275.59906	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+2Na-H"	44.97116
"1136436"	455.18046	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2Na-H"	44.97116
"178633"	433.198518	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+2Na"	45.978436
"622567"	638.303168	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+2Na"	45.978436
"1128626"	228.093868	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2Na"	45.978436
"1411056"	152.398337333333	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H+2Na"	46.985712
"1440621"	457.222046	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H+HCOOH"	47.012746
"227034"	438.23154	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+3H2O+2H"	56.04448
"1517283"	471.27409	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+IsoProp+H"	61.06479
"413689"	441.185488	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+Na+K"	61.952376
"780153"	646.290138	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+Na+K"	61.952376
"1673205"	236.080838	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Na+K"	61.952376
"258633"	884.434368	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+ACN+Na"	64.015768
"1236082"	474.225068	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+ACN+Na"	64.015768
"1722782"	474.248593	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+NH4+HCOOH"	64.039293
"1184488"	159.725651333333	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+3Na"	68.967654
"1653289"	479.203988	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Na+HCOOH"	68.994688
"160148"	897.33764	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+2K-H"	76.91904
"602995"	1307.54694	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+2K-H"	76.91904
"1086044"	487.12834	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2K-H"	76.91904
"148701"	449.172458	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"2M+2K"	77.926316
"588259"	654.277108	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"3M+2K"	77.926316
"1073865"	244.067808	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2K"	77.926316
"1103795"	489.142892	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2K+H"	78.933592
"1341276"	489.230507	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+DMSO+H"	79.021207
"1013091"	493.269676	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2ACN+H"	83.060376
"1537054"	494.263308	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+IsoProp+Na+H"	84.054008
"1000948"	247.138476	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+2ACN+2H"	84.067652
"1599826"	495.177928	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+K+HCOOH"	84.968628
"1428776"	525.209438	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+H+CF3COOH"	115.000138
"1161971"	267.651751	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+3ACN+2H"	125.094202
"1708607"	542.235985	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+NH4+CF3COOH"	132.026685
"1648634"	547.19138	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+Na+CF3COOH"	136.98208
"1583191"	563.16532	"C09977"	"Vismione D"	"C25H30O5"	"410.2093"	"M+K+CF3COOH"	152.95602
"801892"	378.1467	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M"	0
"974516"	359.12831	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-H2O-H"	-19.01839
"64754"	251.090524	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M-3H"	-3.021828
"503222"	377.139424	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M-3H"	-3.021828
"882845"	125.041624	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-3H"	-3.021828
"2513"	377.139424	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M-2H"	-2.014552
"442438"	566.212774	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M-2H"	-2.014552
"817730"	188.066074	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-2H"	-2.014552
"80599"	755.286124	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M-H"	-1.007276
"519429"	1133.432824	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M-H"	-1.007276
"896503"	377.139424	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-H"	-1.007276
"48692"	772.312671	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M-2H+NH4"	16.019271
"490077"	1150.459371	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M-2H+NH4"	16.019271
"871158"	394.165971	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-2H+NH4"	16.019271
"41247"	777.268066	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M-2H+Na"	20.974666
"475341"	1155.414766	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M-2H+Na"	20.974666
"856422"	399.121366	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-2H+Na"	20.974666
"1618624"	399.121366	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Na-2H"	20.974666
"95925"	395.127763	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M-H+Cl"	33.962126
"534757"	584.201113	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M-H+Cl"	33.962126
"927145"	206.054413	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-H+Cl"	33.962126
"267717"	791.262802	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+Cl"	34.969402
"670925"	1169.409502	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+Cl"	34.969402
"1288009"	413.116102	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Cl"	34.969402
"30969"	793.242006	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M-2H+K"	36.948606
"471044"	1171.388706	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M-2H+K"	36.948606
"848198"	415.095306	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-2H+K"	36.948606
"1570023"	415.095306	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+K-2H"	36.948606
"955716"	423.144894	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-H+HCOOH"	44.998194
"374662"	801.291601	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+HCOOH-H"	44.998201
"360614"	815.307251	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+Hac-H"	59.013851
"1505557"	437.160551	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Hac-H"	59.013851
"970541"	445.126851	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-H+NaCOOH"	66.980151
"122368"	413.116102	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+2Cl"	69.938804
"565172"	602.189452	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+2Cl"	69.938804
"1032184"	224.042752	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2Cl"	69.938804
"1255046"	457.065585	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Br"	78.918885
"1310200"	459.121572	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Cl+HCOOH"	80.974872
"1329883"	481.103529	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Cl+NaCOOH"	102.956829
"920941"	491.132286	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M-H+CF3COOH"	112.985586
"1298744"	527.108964	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Cl+CF3COOH"	148.962264
"1377997"	343.134024	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H-2H2O"	-35.012676
"1391119"	361.144	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H-H2O"	-17.0027
"286432"	757.300676	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+H"	1.007276
"678854"	1135.447376	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+H"	1.007276
"1356298"	379.153976	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H"	1.007276
"130282"	379.153976	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+2H"	2.014552
"568748"	568.227326	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+2H"	2.014552
"1044118"	190.080626	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2H"	2.014552
"212747"	253.105076	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+3H"	3.021828
"646108"	379.153976	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+3H"	3.021828
"1164233"	127.056176	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+3H"	3.021828
"424321"	774.327223	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+NH4"	18.033823
"788504"	1152.473923	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+NH4"	18.033823
"1688116"	396.180523	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+NH4"	18.033823
"337490"	387.6672495	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+H+NH4"	19.041099
"732108"	576.7405995	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+H+NH4"	19.041099
"1485195"	198.5938995	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H+NH4"	19.041099
"404604"	779.282618	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+Na"	22.989218
"762320"	1157.429318	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+Na"	22.989218
"1609325"	401.135918	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Na"	22.989218
"325922"	390.144947	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+H+Na"	23.996494
"722233"	579.218297	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+H+Na"	23.996494
"1473259"	201.071597	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H+Na"	23.996494
"1057029"	134.38349	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2H+Na"	25.00377
"1260165"	411.180186	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+CH3OH+H"	33.033486
"378374"	795.256558	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+K"	38.963158
"740101"	1173.403258	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+K"	38.963158
"1545432"	417.109858	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+K"	38.963158
"305889"	398.131917	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+H+K"	39.970434
"698312"	587.205267	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+H+K"	39.970434
"1448120"	209.058567	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H+K"	39.970434
"237202"	798.327226	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+ACN+H"	42.033826
"1210887"	420.180526	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+ACN+H"	42.033826
"1195504"	210.593901	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+ACN+2H"	43.041102
"191293"	801.26456	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+2Na-H"	44.97116
"630974"	1179.41126	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+2Na-H"	44.97116
"1131925"	423.11786	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2Na-H"	44.97116
"174610"	401.135918	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+2Na"	45.978436
"616117"	590.209268	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+2Na"	45.978436
"1125090"	212.062568	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2Na"	45.978436
"1408614"	141.710804	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H+2Na"	46.985712
"1439636"	425.159446	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H+HCOOH"	47.012746
"226051"	406.16894	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+3H2O+2H"	56.04448
"1511925"	439.21149	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+IsoProp+H"	61.06479
"410881"	409.122888	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+Na+K"	61.952376
"772971"	598.196238	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+Na+K"	61.952376
"1672220"	220.049538	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Na+K"	61.952376
"254732"	820.309168	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+ACN+Na"	64.015768
"1230722"	442.162468	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+ACN+Na"	64.015768
"1722526"	442.185993	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+NH4+HCOOH"	64.039293
"1184598"	149.038118	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+3Na"	68.967654
"1652671"	447.141388	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Na+HCOOH"	68.994688
"157707"	833.21244	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+2K-H"	76.91904
"599824"	1211.35914	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+2K-H"	76.91904
"1084696"	455.06574	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2K-H"	76.91904
"146625"	417.109858	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"2M+2K"	77.926316
"589462"	606.183208	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"3M+2K"	77.926316
"1073975"	228.036508	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2K"	77.926316
"1103905"	457.080292	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2K+H"	78.933592
"1341386"	457.167907	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+DMSO+H"	79.021207
"1013201"	461.207076	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2ACN+H"	83.060376
"1538986"	462.200708	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+IsoProp+Na+H"	84.054008
"1002881"	231.107176	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+2ACN+2H"	84.067652
"1600909"	463.115328	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+K+HCOOH"	84.968628
"1429683"	493.146838	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+H+CF3COOH"	115.000138
"1160259"	251.620451	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+3ACN+2H"	125.094202
"1711876"	510.173385	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+NH4+CF3COOH"	132.026685
"1649475"	515.12878	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+Na+CF3COOH"	136.98208
"1583301"	531.10272	"C09978"	"Uvaretin"	"C23H22O5"	"378.1467"	"M+K+CF3COOH"	152.95602
"802731"	602.3607	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M"	0
"975532"	583.34231	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-H2O-H"	-19.01839
"63450"	400.566524	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M-3H"	-3.021828
"506247"	601.353424	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M-3H"	-3.021828
"886237"	199.779624	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-3H"	-3.021828
"2624"	601.353424	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M-2H"	-2.014552
"443277"	902.533774	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M-2H"	-2.014552
"819985"	300.173074	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-2H"	-2.014552
"83259"	1203.714124	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M-H"	-1.007276
"525008"	1806.074824	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M-H"	-1.007276
"898436"	601.353424	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-H"	-1.007276
"48440"	1220.740671	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M-2H+NH4"	16.019271
"487998"	1823.101371	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M-2H+NH4"	16.019271
"869081"	618.379971	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-2H+NH4"	16.019271
"36982"	1225.696066	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M-2H+Na"	20.974666
"471597"	1828.056766	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M-2H+Na"	20.974666
"851064"	623.335366	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-2H+Na"	20.974666
"1618592"	623.335366	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Na-2H"	20.974666
"96398"	619.341763	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M-H+Cl"	33.962126
"534417"	920.522113	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M-H+Cl"	33.962126
"927652"	318.161413	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-H+Cl"	33.962126
"267665"	1239.690802	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+Cl"	34.969402
"670671"	1842.051502	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+Cl"	34.969402
"1288386"	637.330102	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Cl"	34.969402
"30751"	1241.670006	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M-2H+K"	36.948606
"471284"	1844.030706	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M-2H+K"	36.948606
"848331"	639.309306	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-2H+K"	36.948606
"1570497"	639.309306	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+K-2H"	36.948606
"956555"	647.358894	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-H+HCOOH"	44.998194
"375864"	1249.719601	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+HCOOH-H"	44.998201
"359383"	1263.735251	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+Hac-H"	59.013851
"1507612"	661.374551	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Hac-H"	59.013851
"972474"	669.340851	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-H+NaCOOH"	66.980151
"123573"	637.330102	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+2Cl"	69.938804
"562767"	938.510452	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+2Cl"	69.938804
"1036673"	336.149752	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2Cl"	69.938804
"1255883"	681.279585	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Br"	78.918885
"1319060"	683.335572	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Cl+HCOOH"	80.974872
"1331452"	705.317529	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Cl+NaCOOH"	102.956829
"926885"	715.346286	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M-H+CF3COOH"	112.985586
"1298854"	751.322964	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Cl+CF3COOH"	148.962264
"1381389"	567.348024	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H-2H2O"	-35.012676
"1394510"	585.358	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H-H2O"	-17.0027
"295289"	1205.728676	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+H"	1.007276
"678964"	1808.089376	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+H"	1.007276
"1359688"	603.367976	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H"	1.007276
"130392"	603.367976	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+2H"	2.014552
"569950"	904.548326	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+2H"	2.014552
"1047144"	302.187626	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2H"	2.014552
"211764"	402.581076	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+3H"	3.021828
"647312"	603.367976	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+3H"	3.021828
"1163855"	201.794176	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+3H"	3.021828
"425307"	1222.755223	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+NH4"	18.033823
"788614"	1825.115923	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+NH4"	18.033823
"1681785"	620.394523	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+NH4"	18.033823
"340880"	611.8812495	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+H+NH4"	19.041099
"734402"	913.0615995	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+H+NH4"	19.041099
"1485305"	310.7008995	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H+NH4"	19.041099
"402527"	1227.710618	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+Na"	22.989218
"762430"	1830.071318	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+Na"	22.989218
"1611622"	625.349918	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Na"	22.989218
"320563"	614.358947	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+H+Na"	23.996494
"717360"	915.539297	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+H+Na"	23.996494
"1473369"	313.178597	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H+Na"	23.996494
"1065401"	209.12149	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2H+Na"	25.00377
"1263921"	635.394186	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+CH3OH+H"	33.033486
"383587"	1243.684558	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+K"	38.963158
"743490"	1846.045258	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+K"	38.963158
"1545541"	641.323858	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+K"	38.963158
"302718"	622.345917	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+H+K"	39.970434
"694045"	923.526267	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+H+K"	39.970434
"1445730"	321.165567	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H+K"	39.970434
"237554"	1246.755226	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+ACN+H"	42.033826
"1209978"	644.394526	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+ACN+H"	42.033826
"1195494"	322.700901	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+ACN+2H"	43.041102
"192497"	1249.69256	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+2Na-H"	44.97116
"630963"	1852.05326	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+2Na-H"	44.97116
"1131670"	647.33186	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2Na-H"	44.97116
"173627"	625.349918	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+2Na"	45.978436
"619506"	926.530268	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+2Na"	45.978436
"1123013"	324.169568	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2Na"	45.978436
"1409817"	216.448804	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H+2Na"	46.985712
"1436463"	649.373446	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H+HCOOH"	47.012746
"223972"	630.38294	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+3H2O+2H"	56.04448
"1508467"	663.42549	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+IsoProp+H"	61.06479
"413907"	633.336888	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+Na+K"	61.952376
"772717"	934.517238	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+Na+K"	61.952376
"1674517"	332.156538	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Na+K"	61.952376
"258851"	1268.737168	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+ACN+Na"	64.015768
"1229008"	666.376468	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+ACN+Na"	64.015768
"1721541"	666.399993	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+NH4+HCOOH"	64.039293
"1186895"	223.776118	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+3Na"	68.967654
"1650956"	671.355388	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Na+HCOOH"	68.994688
"158181"	1281.64044	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+2K-H"	76.91904
"598836"	1884.00114	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+2K-H"	76.91904
"1087357"	679.27974	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2K-H"	76.91904
"144543"	641.323858	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"2M+2K"	77.926316
"585197"	942.504208	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"3M+2K"	77.926316
"1072992"	340.143508	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2K"	77.926316
"1104015"	681.294292	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2K+H"	78.933592
"1340403"	681.381907	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+DMSO+H"	79.021207
"1015497"	685.421076	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2ACN+H"	83.060376
"1538731"	686.414708	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+IsoProp+Na+H"	84.054008
"1002259"	343.214176	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+2ACN+2H"	84.067652
"1602442"	687.329328	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+K+HCOOH"	84.968628
"1429562"	717.360838	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+H+CF3COOH"	115.000138
"1162554"	363.727451	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+3ACN+2H"	125.094202
"1711013"	734.387385	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+NH4+CF3COOH"	132.026685
"1647761"	739.34278	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+Na+CF3COOH"	136.98208
"1583411"	755.31672	"C09979"	"Xanthochymol"	"C38H50O6"	"602.3607"	"M+K+CF3COOH"	152.95602
"801907"	258.0892	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M"	0
"974871"	239.07081	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"63640"	171.052190666667	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"504534"	257.081924	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"880880"	85.0224573333333	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"666"	257.081924	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"441566"	386.126524	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"818394"	128.037324	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"85556"	515.171124	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"525118"	773.260324	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"899641"	257.081924	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"48550"	532.197671	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"488837"	790.286871	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"868097"	274.108471	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"35268"	537.153066	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"472401"	795.242266	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"852268"	279.063866	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1619250"	279.063866	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"96508"	275.070263	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"534976"	404.114863	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"928126"	146.025663	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"268505"	551.147802	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"670417"	809.237002	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1287810"	293.058602	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"31305"	553.127006	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"471227"	811.216206	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"847488"	295.037806	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1567691"	295.037806	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"957637"	303.087394	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"374519"	561.176601	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"359130"	575.192251	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1507236"	317.103051	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"972954"	325.069351	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"124658"	293.058602	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"562877"	422.103202	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1034961"	164.014002	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1255630"	337.008085	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1318442"	339.064072	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1331562"	361.046029	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"924443"	371.074786	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1297870"	407.051464	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1378217"	223.076524	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1392433"	241.0865	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"295399"	517.185676	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"682353"	775.274876	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1359798"	259.096476	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"130502"	259.096476	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"571153"	388.141076	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1048348"	130.051876	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"213331"	173.066742666667	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"647422"	259.096476	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1164695"	87.0370093333333	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"425172"	534.212223	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"786532"	792.301423	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1682496"	276.123023	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"340990"	267.6097495	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"732322"	396.6543495	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1485050"	138.5651495	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"402635"	539.167618	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"765819"	797.256818	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1611732"	281.078418	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"320673"	270.087447	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"719657"	399.132047	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1474573"	141.042847	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1065632"	94.3643233333333	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1266218"	291.122686	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"384792"	555.141558	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"743599"	813.230758	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1545651"	297.052358	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"301369"	278.074417	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"693060"	407.119017	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1447242"	149.029817	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"238393"	558.212226	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1210134"	300.123026	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1196087"	150.565151	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"188616"	561.14956	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"631073"	819.23876	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1131782"	303.06036	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"172844"	281.078418	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"617429"	410.123018	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1124216"	152.033818	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1404458"	101.691637333333	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1433293"	305.101946	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"224083"	286.11144	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1513238"	319.15399	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"411831"	289.065388	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"777202"	418.109988	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1673533"	160.020788	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"260054"	580.194168	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1233855"	322.104968	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1720556"	322.128493	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1184816"	109.018951333333	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1651797"	327.083888	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"157564"	593.09744	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"597611"	851.18664	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1085279"	335.00824	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"145381"	297.052358	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"584940"	426.096958	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1071278"	168.007758	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1101938"	337.022792	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1338327"	337.110407	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1014514"	341.149576	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1538112"	342.143208	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1001276"	171.078426	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1602104"	343.057828	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1429224"	373.089338	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1160478"	191.591701	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1708937"	390.115885	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1647871"	395.07128	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1583521"	411.04522	"C09980"	"Yangonin;4-Methoxy-6-2-(4-methoxyphenyl)ethenyl-2H-pyran-2-one"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"807325"	318.1467	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M"	0
"975388"	299.12831	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-H2O-H"	-19.01839
"66910"	211.090524	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M-3H"	-3.021828
"507563"	317.139424	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M-3H"	-3.021828
"882086"	105.041624	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-3H"	-3.021828
"3941"	317.139424	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M-2H"	-2.014552
"444595"	476.212774	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M-2H"	-2.014552
"820210"	158.066074	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-2H"	-2.014552
"80688"	635.286124	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M-H"	-1.007276
"520979"	953.432824	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M-H"	-1.007276
"896835"	317.139424	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-H"	-1.007276
"54127"	652.312671	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M-2H+NH4"	16.019271
"494781"	970.459371	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M-2H+NH4"	16.019271
"873675"	334.165971	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-2H+NH4"	16.019271
"36109"	657.268066	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M-2H+Na"	20.974666
"475671"	975.414766	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M-2H+Na"	20.974666
"855661"	339.121366	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-2H+Na"	20.974666
"1621917"	339.121366	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Na-2H"	20.974666
"97350"	335.127763	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M-H+Cl"	33.962126
"539098"	494.201113	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M-H+Cl"	33.962126
"930426"	176.054413	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-H+Cl"	33.962126
"271172"	671.262802	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+Cl"	34.969402
"673811"	989.409502	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+Cl"	34.969402
"1287311"	353.116102	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Cl"	34.969402
"30596"	673.242006	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M-2H+K"	36.948606
"470886"	991.388706	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M-2H+K"	36.948606
"847593"	355.095306	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-2H+K"	36.948606
"1570360"	355.095306	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+K-2H"	36.948606
"957876"	363.144894	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-H+HCOOH"	44.998194
"376699"	681.291601	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+HCOOH-H"	44.998201
"360581"	695.307251	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+Hac-H"	59.013851
"1508075"	377.160551	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Hac-H"	59.013851
"972334"	385.126851	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-H+NaCOOH"	66.980151
"125495"	353.116102	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+2Cl"	69.938804
"564445"	512.189452	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+2Cl"	69.938804
"1034336"	194.042752	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2Cl"	69.938804
"1253914"	397.065585	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Br"	78.918885
"1317459"	399.121572	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Cl+HCOOH"	80.974872
"1335404"	421.103529	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Cl+NaCOOH"	102.956829
"923460"	431.132286	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M-H+CF3COOH"	112.985586
"1301991"	467.108964	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Cl+CF3COOH"	148.962264
"1377234"	283.134024	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H-2H2O"	-35.012676
"1394002"	301.144	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H-H2O"	-17.0027
"295875"	637.300676	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+H"	1.007276
"687204"	955.447376	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+H"	1.007276
"1364646"	319.153976	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H"	1.007276
"140900"	319.153976	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+2H"	2.014552
"580623"	478.227326	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+2H"	2.014552
"1047728"	160.080626	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2H"	2.014552
"213441"	213.105076	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+3H"	3.021828
"646437"	319.153976	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+3H"	3.021828
"1165656"	107.056176	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+3H"	3.021828
"425040"	654.327223	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+NH4"	18.033823
"787007"	972.473923	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+NH4"	18.033823
"1683336"	336.180523	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+NH4"	18.033823
"341100"	327.6672495	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+H+NH4"	19.041099
"735712"	486.7405995	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+H+NH4"	19.041099
"1488447"	168.5938995	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H+NH4"	19.041099
"404939"	659.282618	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+Na"	22.989218
"768728"	977.429318	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+Na"	22.989218
"1618045"	341.135918	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Na"	22.989218
"328075"	330.144947	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+H+Na"	23.996494
"722201"	489.218297	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+H+Na"	23.996494
"1476024"	171.071597	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H+Na"	23.996494
"1064651"	114.38349	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2H+Na"	25.00377
"1271555"	351.180186	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+CH3OH+H"	33.033486
"392524"	675.256558	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+K"	38.963158
"748084"	993.403258	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+K"	38.963158
"1546855"	357.109858	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+K"	38.963158
"304031"	338.131917	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+H+K"	39.970434
"697546"	497.205267	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+H+K"	39.970434
"1447720"	179.058567	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H+K"	39.970434
"238143"	678.327226	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+ACN+H"	42.033826
"1210611"	360.180526	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+ACN+H"	42.033826
"1194414"	180.593901	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+ACN+2H"	43.041102
"189798"	681.26456	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+2Na-H"	44.97116
"631183"	999.41126	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+2Na-H"	44.97116
"1141250"	363.11786	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2Na-H"	44.97116
"183448"	341.135918	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+2Na"	45.978436
"619728"	500.209268	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+2Na"	45.978436
"1126515"	182.062568	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2Na"	45.978436
"1410038"	121.710804	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H+2Na"	46.985712
"1439966"	365.159446	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H+HCOOH"	47.012746
"231850"	346.16894	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+3H2O+2H"	56.04448
"1517724"	379.21149	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+IsoProp+H"	61.06479
"411941"	349.122888	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+Na+K"	61.952376
"777312"	508.196238	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+Na+K"	61.952376
"1674737"	190.049538	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Na+K"	61.952376
"260164"	700.309168	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+ACN+Na"	64.015768
"1232873"	382.162468	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+ACN+Na"	64.015768
"1718479"	382.185993	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+NH4+HCOOH"	64.039293
"1186019"	129.038118	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+3Na"	68.967654
"1652638"	387.141388	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Na+HCOOH"	68.994688
"158405"	713.21244	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+2K-H"	76.91904
"599061"	1031.35914	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+2K-H"	76.91904
"1086855"	395.06574	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2K-H"	76.91904
"144766"	357.109858	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"2M+2K"	77.926316
"583231"	516.183208	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"3M+2K"	77.926316
"1072118"	198.036508	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2K"	77.926316
"1103143"	397.080292	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2K+H"	78.933592
"1337096"	397.167907	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+DMSO+H"	79.021207
"1013531"	401.207076	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2ACN+H"	83.060376
"1536032"	402.200708	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+IsoProp+Na+H"	84.054008
"997011"	201.107176	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+2ACN+2H"	84.067652
"1600994"	403.115328	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+K+HCOOH"	84.968628
"1428845"	433.146838	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+H+CF3COOH"	115.000138
"1161684"	221.620451	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+3ACN+2H"	125.094202
"1710869"	450.173385	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+NH4+CF3COOH"	132.026685
"1649726"	455.12878	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+Na+CF3COOH"	136.98208
"1583631"	471.10272	"C09981"	"Zearalenone"	"C18H22O5"	"318.1467"	"M+K+CF3COOH"	152.95602
"810716"	360.0845	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M"	0
"976593"	341.06611	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"65928"	239.049057333333	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"504395"	359.077224	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"884385"	119.020890666667	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"4054"	359.077224	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"441790"	539.119474	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"819593"	179.034974	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"86875"	719.161724	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"530808"	1079.246224	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"908609"	359.077224	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"59704"	736.188271	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"498172"	1096.272771	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"873785"	376.103771	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"39499"	741.143666	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"481250"	1101.228166	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"859052"	381.059166	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1624214"	381.059166	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"101835"	377.065563	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"544676"	557.107813	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"932722"	197.023313	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"270189"	755.138402	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"674284"	1115.222902	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1285961"	395.053902	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"31076"	757.117606	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"469902"	1117.202106	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"846981"	397.033106	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1569010"	397.033106	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"957133"	405.082694	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"375473"	765.167201	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"359233"	779.182851	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1506363"	419.098351	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"972443"	427.064651	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"124267"	395.053902	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"563459"	575.096152	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1035668"	215.011652	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1255847"	439.003385	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1318295"	441.059372	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1332874"	463.041329	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"925392"	473.070086	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1303559"	509.046764	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1374063"	325.071824	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1397395"	343.0818	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"296715"	721.176276	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"691249"	1081.260776	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1365851"	361.091776	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"139835"	361.091776	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"577571"	541.134026	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1040181"	181.049526	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"208078"	241.063609333333	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"645086"	361.091776	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1166857"	121.035442666667	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"429036"	738.202823	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"788939"	1098.287323	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1687458"	378.118323	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"337930"	369.6050495	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"733635"	549.6472995	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1487464"	189.5627995	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"403956"	743.158218	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"768230"	1103.242718	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1618275"	383.073718	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"329915"	372.082747	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"719877"	552.124997	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1471516"	192.040497	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1064760"	128.362756666667	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1272111"	393.117986	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"389390"	759.132158	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"747100"	1119.216658	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1546965"	399.047658	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"301954"	380.069717	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"697656"	560.111967	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1451475"	200.027467	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"241169"	762.202826	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1213883"	402.118326	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1198862"	201.562801	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"192827"	765.14016	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"635668"	1125.22466	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1140268"	405.05566	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"184652"	383.073718	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"625307"	563.115968	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1128812"	203.031468	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1411971"	135.690070666667	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1440076"	407.097246	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"233055"	388.10674	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1520020"	421.14929	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"414238"	391.060688	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"779608"	571.102938	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1675940"	211.018438	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"265379"	784.184768	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1238086"	424.100268	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1726243"	424.123793	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1188316"	143.017384666667	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1652748"	429.079188	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"160700"	797.08804	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"598683"	1157.17254	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1086965"	437.00354	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"144876"	399.047658	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"588812"	579.089908	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1073325"	219.005408	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1102161"	439.018092	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1336113"	439.105707	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1006339"	443.144876	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1527392"	444.138508	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"994934"	222.076076	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1600378"	445.053128	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1427131"	475.084638	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1161429"	242.589351	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1709156"	492.111185	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1645904"	497.06658	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1583741"	513.04052	"C09982"	"Acerosin"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"805358"	278.1154	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M"	0
"975364"	259.09701	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-H2O-H"	-19.01839
"66035"	184.402990666667	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M-3H"	-3.021828
"505599"	277.108124	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M-3H"	-3.021828
"883036"	91.6978573333333	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-3H"	-3.021828
"3068"	277.108124	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M-2H"	-2.014552
"443726"	416.165824	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M-2H"	-2.014552
"818367"	138.050424	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-2H"	-2.014552
"82611"	555.223524	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M-H"	-1.007276
"523265"	833.338924	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M-H"	-1.007276
"903253"	277.108124	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-H"	-1.007276
"60907"	572.250071	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M-2H+NH4"	16.019271
"497187"	850.365471	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M-2H+NH4"	16.019271
"870614"	294.134671	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-2H+NH4"	16.019271
"38517"	577.205466	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M-2H+Na"	20.974666
"481360"	855.320866	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M-2H+Na"	20.974666
"860255"	299.090066	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-2H+Na"	20.974666
"1621044"	299.090066	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Na-2H"	20.974666
"100851"	295.096463	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M-H+Cl"	33.962126
"538224"	434.154163	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M-H+Cl"	33.962126
"930647"	156.038763	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-H+Cl"	33.962126
"274675"	591.200202	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+Cl"	34.969402
"675002"	869.315602	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+Cl"	34.969402
"1288261"	313.084802	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Cl"	34.969402
"31380"	593.179406	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M-2H+K"	36.948606
"470581"	871.294806	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M-2H+K"	36.948606
"848183"	315.064006	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-2H+K"	36.948606
"1569848"	315.064006	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+K-2H"	36.948606
"956274"	323.113594	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-H+HCOOH"	44.998194
"372303"	601.229001	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+HCOOH-H"	44.998201
"357280"	615.244651	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+Hac-H"	59.013851
"1506112"	337.129251	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Hac-H"	59.013851
"972552"	345.095551	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-H+NaCOOH"	66.980151
"124014"	313.084802	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+2Cl"	69.938804
"563936"	452.142502	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+2Cl"	69.938804
"1033827"	174.027102	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2Cl"	69.938804
"1255228"	357.034285	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Br"	78.918885
"1318772"	359.090272	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Cl+HCOOH"	80.974872
"1333714"	381.072229	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Cl+NaCOOH"	102.956829
"918211"	391.100986	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M-H+CF3COOH"	112.985586
"1299293"	427.077664	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Cl+CF3COOH"	148.962264
"1374173"	243.102724	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H-2H2O"	-35.012676
"1389486"	261.1127	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H-H2O"	-17.0027
"288443"	557.238076	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+H"	1.007276
"680500"	835.353476	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+H"	1.007276
"1356848"	279.122676	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H"	1.007276
"131926"	279.122676	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+2H"	2.014552
"570392"	418.180376	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+2H"	2.014552
"1041384"	140.064976	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2H"	2.014552
"205149"	186.417542666667	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+3H"	3.021828
"645195"	279.122676	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+3H"	3.021828
"1163685"	93.7124093333334	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+3H"	3.021828
"424774"	574.264623	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+NH4"	18.033823
"786618"	852.380023	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+NH4"	18.033823
"1681409"	296.149223	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+NH4"	18.033823
"336944"	287.6359495	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+H+NH4"	19.041099
"731558"	426.6936495	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+H+NH4"	19.041099
"1488667"	148.5782495	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H+NH4"	19.041099
"405158"	579.220018	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+Na"	22.989218
"766884"	857.335418	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+Na"	22.989218
"1615345"	301.104618	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Na"	22.989218
"329515"	290.113647	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+H+Na"	23.996494
"722381"	429.171347	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+H+Na"	23.996494
"1471625"	151.055947	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H+Na"	23.996494
"1061593"	101.039723333333	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2H+Na"	25.00377
"1266552"	311.148886	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+CH3OH+H"	33.033486
"388405"	595.193958	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+K"	38.963158
"747213"	873.309358	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+K"	38.963158
"1548168"	317.078558	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+K"	38.963158
"306438"	298.100617	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+H+K"	39.970434
"695580"	437.158317	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+H+K"	39.970434
"1448307"	159.042917	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H+K"	39.970434
"237999"	598.264626	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+ACN+H"	42.033826
"1212903"	320.149226	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+ACN+H"	42.033826
"1198973"	160.578251	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+ACN+2H"	43.041102
"195125"	601.20196	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+2Na-H"	44.97116
"635778"	879.31736	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+2Na-H"	44.97116
"1140378"	323.08656	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2Na-H"	44.97116
"186950"	301.104618	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+2Na"	45.978436
"624323"	440.162318	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+2Na"	45.978436
"1129653"	162.046918	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2Na"	45.978436
"1413177"	108.367037333333	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H+2Na"	46.985712
"1441279"	325.128146	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H+HCOOH"	47.012746
"233164"	306.13764	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+3H2O+2H"	56.04448
"1516850"	339.18019	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+IsoProp+H"	61.06479
"417629"	309.091588	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+Na+K"	61.952376
"783000"	448.149288	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+Na+K"	61.952376
"1677145"	170.033888	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Na+K"	61.952376
"260386"	620.246568	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+ACN+Na"	64.015768
"1235281"	342.131168	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+ACN+Na"	64.015768
"1725260"	342.154693	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+NH4+HCOOH"	64.039293
"1185150"	115.694351333333	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+3Na"	68.967654
"1652857"	347.110088	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Na+HCOOH"	68.994688
"160081"	633.14984	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+2K-H"	76.91904
"609126"	911.26524	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+2K-H"	76.91904
"1096557"	355.03444	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2K-H"	76.91904
"152648"	317.078558	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"2M+2K"	77.926316
"588922"	456.136258	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"3M+2K"	77.926316
"1076716"	178.020858	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2K"	77.926316
"1100928"	357.048992	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2K+H"	78.933592
"1336827"	357.136607	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+DMSO+H"	79.021207
"1013751"	361.175776	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2ACN+H"	83.060376
"1534065"	362.169408	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+IsoProp+Na+H"	84.054008
"1003798"	181.091526	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+2ACN+2H"	84.067652
"1600853"	363.084028	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+K+HCOOH"	84.968628
"1426149"	393.115538	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+H+CF3COOH"	115.000138
"1160812"	201.604801	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+3ACN+2H"	125.094202
"1709266"	410.142085	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+NH4+CF3COOH"	132.026685
"1646014"	415.09748	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+Na+CF3COOH"	136.98208
"1583851"	431.07142	"C09983"	"Zinnolide"	"C15H18O5"	"278.1154"	"M+K+CF3COOH"	152.95602
"810936"	268.1701	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M"	0
"984469"	249.15171	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-H2O-H"	-19.01839
"67245"	177.772790666667	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M-3H"	-3.021828
"506075"	267.162824	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M-3H"	-3.021828
"887888"	88.3827573333333	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-3H"	-3.021828
"6464"	267.162824	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M-2H"	-2.014552
"446025"	401.247874	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M-2H"	-2.014552
"827105"	133.077774	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-2H"	-2.014552
"80537"	535.332924	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M-H"	-1.007276
"526658"	803.503024	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M-H"	-1.007276
"901179"	267.162824	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-H"	-1.007276
"56646"	552.359471	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M-2H+NH4"	16.019271
"495112"	820.529571	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M-2H+NH4"	16.019271
"874007"	284.189371	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-2H+NH4"	16.019271
"40815"	557.314866	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M-2H+Na"	20.974666
"482929"	825.484966	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M-2H+Na"	20.974666
"859272"	289.144766	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-2H+Na"	20.974666
"1621154"	289.144766	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Na-2H"	20.974666
"96590"	285.151163	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M-H+Cl"	33.962126
"537246"	419.236213	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M-H+Cl"	33.962126
"934043"	151.066113	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-H+Cl"	33.962126
"278069"	571.309602	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+Cl"	34.969402
"675529"	839.479702	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+Cl"	34.969402
"1287155"	303.139502	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Cl"	34.969402
"31415"	573.288806	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M-2H+K"	36.948606
"471325"	841.458906	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M-2H+K"	36.948606
"848485"	305.118706	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-2H+K"	36.948606
"1570323"	305.118706	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+K-2H"	36.948606
"958124"	313.168294	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-H+HCOOH"	44.998194
"376419"	581.338401	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+HCOOH-H"	44.998201
"359572"	595.354051	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+Hac-H"	59.013851
"1507675"	327.183951	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Hac-H"	59.013851
"971936"	335.150251	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-H+NaCOOH"	66.980151
"122663"	303.139502	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+2Cl"	69.938804
"563318"	437.224552	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+2Cl"	69.938804
"1033943"	169.054452	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2Cl"	69.938804
"1252787"	347.088985	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Br"	78.918885
"1313048"	349.144972	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Cl+HCOOH"	80.974872
"1331272"	371.126929	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Cl+NaCOOH"	102.956829
"920510"	381.155686	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M-H+CF3COOH"	112.985586
"1292843"	417.132364	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Cl+CF3COOH"	148.962264
"1374285"	233.157424	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H-2H2O"	-35.012676
"1395066"	251.1674	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H-H2O"	-17.0027
"290378"	537.347476	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+H"	1.007276
"684986"	805.517576	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+H"	1.007276
"1362065"	269.177376	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H"	1.007276
"134224"	269.177376	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+2H"	2.014552
"569409"	403.262426	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+2H"	2.014552
"1037970"	135.092326	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2H"	2.014552
"204650"	179.787342666667	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+3H"	3.021828
"644575"	269.177376	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+3H"	3.021828
"1163552"	90.3973093333333	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+3H"	3.021828
"429262"	554.374023	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+NH4"	18.033823
"786978"	822.544123	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+NH4"	18.033823
"1682212"	286.203923	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+NH4"	18.033823
"338150"	277.6906495	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+H+NH4"	19.041099
"737140"	411.7756995	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+H+NH4"	19.041099
"1478935"	143.6055995	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H+NH4"	19.041099
"399801"	559.329418	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+Na"	22.989218
"759704"	827.499518	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+Na"	22.989218
"1614362"	291.159318	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Na"	22.989218
"326589"	280.168347	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+H+Na"	23.996494
"720102"	414.253397	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+H+Na"	23.996494
"1474652"	146.083297	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H+Na"	23.996494
"1054046"	97.7246233333333	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2H+Na"	25.00377
"1258641"	301.203586	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+CH3OH+H"	33.033486
"379402"	575.303358	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+K"	38.963158
"744042"	843.473458	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+K"	38.963158
"1545000"	307.133258	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+K"	38.963158
"302174"	288.155317	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+H+K"	39.970434
"694599"	422.240367	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+H+K"	39.970434
"1449512"	154.070267	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H+K"	39.970434
"237384"	578.374026	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+ACN+H"	42.033826
"1212283"	310.203926	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+ACN+H"	42.033826
"1205646"	155.605601	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+ACN+2H"	43.041102
"200704"	581.31136	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+2Na-H"	44.97116
"639171"	849.48146	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+2Na-H"	44.97116
"1138303"	313.14126	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2Na-H"	44.97116
"183780"	291.159318	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+2Na"	45.978436
"620060"	425.244368	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+2Na"	45.978436
"1127940"	157.074268	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2Na"	45.978436
"1413650"	105.051937333333	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H+2Na"	46.985712
"1443583"	315.182846	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H+HCOOH"	47.012746
"231086"	296.19234	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+3H2O+2H"	56.04448
"1519149"	329.23489	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+IsoProp+H"	61.06479
"418835"	299.146288	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+Na+K"	61.952376
"776551"	433.231338	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+Na+K"	61.952376
"1671789"	165.061238	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Na+K"	61.952376
"258310"	600.355968	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+ACN+Na"	64.015768
"1227372"	332.185868	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+ACN+Na"	64.015768
"1722091"	332.209393	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+NH4+HCOOH"	64.039293
"1180152"	112.379251333333	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+3Na"	68.967654
"1652970"	337.164788	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Na+HCOOH"	68.994688
"158127"	613.25924	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+2K-H"	76.91904
"609605"	881.42934	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+2K-H"	76.91904
"1095213"	345.08914	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2K-H"	76.91904
"154582"	307.133258	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"2M+2K"	77.926316
"592315"	441.218308	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"3M+2K"	77.926316
"1080106"	173.048208	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2K"	77.926316
"1112592"	347.103692	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2K+H"	78.933592
"1345330"	347.191307	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+DMSO+H"	79.021207
"1017151"	351.230476	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2ACN+H"	83.060376
"1537461"	352.224108	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+IsoProp+Na+H"	84.054008
"1003908"	176.118876	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+2ACN+2H"	84.067652
"1601935"	353.138728	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+K+HCOOH"	84.968628
"1429054"	383.170238	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+H+CF3COOH"	115.000138
"1160923"	196.632151	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+3ACN+2H"	125.094202
"1710471"	400.196785	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+NH4+CF3COOH"	132.026685
"1645026"	405.15218	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+Na+CF3COOH"	136.98208
"1583961"	421.12612	"C09984"	"N-(p-Hydroxyphenethyl)actinidine"	"C18H22NO"	"268.1701"	"M+K+CF3COOH"	152.95602
"804486"	220.0848	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M"	0
"975829"	201.06641	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-H2O-H"	-19.01839
"64071"	145.715924	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M-3H"	-3.021828
"503631"	219.077524	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M-3H"	-3.021828
"883624"	72.354324	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-3H"	-3.021828
"6573"	219.077524	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M-2H"	-2.014552
"443946"	329.119924	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M-2H"	-2.014552
"817735"	109.035124	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-2H"	-2.014552
"79427"	439.162324	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M-H"	-1.007276
"523482"	659.247124	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M-H"	-1.007276
"902378"	219.077524	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-H"	-1.007276
"49097"	456.188871	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M-2H+NH4"	16.019271
"491937"	676.273671	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M-2H+NH4"	16.019271
"869742"	236.104071	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-2H+NH4"	16.019271
"40926"	461.144266	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M-2H+Na"	20.974666
"483039"	681.229066	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M-2H+Na"	20.974666
"849545"	241.059466	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-2H+Na"	20.974666
"1618833"	241.059466	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Na-2H"	20.974666
"95606"	237.065863	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M-H+Cl"	33.962126
"538448"	347.108263	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M-H+Cl"	33.962126
"935246"	127.023463	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-H+Cl"	33.962126
"280371"	475.139002	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+Cl"	34.969402
"674499"	695.223802	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+Cl"	34.969402
"1285199"	255.054202	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Cl"	34.969402
"29579"	477.118206	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M-2H+K"	36.948606
"471263"	697.203006	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M-2H+K"	36.948606
"845118"	257.033406	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-2H+K"	36.948606
"1569699"	257.033406	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+K-2H"	36.948606
"957341"	265.082994	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-H+HCOOH"	44.998194
"375438"	485.167801	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+HCOOH-H"	44.998201
"359319"	499.183451	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+Hac-H"	59.013851
"1505960"	279.098651	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Hac-H"	59.013851
"972411"	287.064951	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-H+NaCOOH"	66.980151
"124598"	255.054202	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+2Cl"	69.938804
"562700"	365.096602	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+2Cl"	69.938804
"1032960"	145.011802	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2Cl"	69.938804
"1253994"	299.003685	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Br"	78.918885
"1314251"	301.059672	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Cl+HCOOH"	80.974872
"1327375"	323.041629	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Cl+NaCOOH"	102.956829
"917340"	333.070386	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M-H+CF3COOH"	112.985586
"1295143"	369.047064	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Cl+CF3COOH"	148.962264
"1378773"	185.072124	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H-2H2O"	-35.012676
"1395176"	203.0821	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H-H2O"	-17.0027
"289396"	441.176876	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+H"	1.007276
"685096"	661.261676	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+H"	1.007276
"1360353"	221.092076	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H"	1.007276
"135428"	221.092076	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+2H"	2.014552
"567699"	331.134476	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+2H"	2.014552
"1038076"	111.049676	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2H"	2.014552
"205245"	147.730476	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+3H"	3.021828
"644688"	221.092076	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+3H"	3.021828
"1168288"	74.368876	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+3H"	3.021828
"428279"	458.203423	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+NH4"	18.033823
"789274"	678.288223	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+NH4"	18.033823
"1688888"	238.118623	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+NH4"	18.033823
"338260"	229.6053495	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+H+NH4"	19.041099
"723767"	339.6477495	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+H+NH4"	19.041099
"1480139"	119.5629495	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H+NH4"	19.041099
"396631"	463.158818	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+Na"	22.989218
"765281"	683.243618	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+Na"	22.989218
"1616295"	243.074018	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Na"	22.989218
"324507"	232.083047	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+H+Na"	23.996494
"718024"	342.125447	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+H+Na"	23.996494
"1467471"	122.040647	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H+Na"	23.996494
"1053791"	81.69619	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2H+Na"	25.00377
"1264581"	253.118286	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+CH3OH+H"	33.033486
"386440"	479.132758	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+K"	38.963158
"745243"	699.217558	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+K"	38.963158
"1545111"	259.047958	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+K"	38.963158
"303382"	240.070017	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+H+K"	39.970434
"694709"	350.112417	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+H+K"	39.970434
"1448529"	130.027617	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H+K"	39.970434
"238590"	482.203426	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+ACN+H"	42.033826
"1217499"	262.118626	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+ACN+H"	42.033826
"1205392"	131.562951	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+ACN+2H"	43.041102
"194253"	485.14076	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+2Na-H"	44.97116
"637094"	705.22556	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+2Na-H"	44.97116
"1135859"	265.05596	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2Na-H"	44.97116
"180610"	243.074018	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+2Na"	45.978436
"620170"	353.116418	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+2Na"	45.978436
"1128051"	133.031618	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2Na"	45.978436
"1409022"	89.023504	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H+2Na"	46.985712
"1439316"	267.097546	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H+HCOOH"	47.012746
"230832"	248.10704	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+3H2O+2H"	56.04448
"1519259"	281.14959	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+IsoProp+H"	61.06479
"420039"	251.060988	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+Na+K"	61.952376
"774474"	361.103388	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+Na+K"	61.952376
"1676273"	141.018588	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Na+K"	61.952376
"261700"	504.185368	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+ACN+Na"	64.015768
"1233315"	284.100568	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+ACN+Na"	64.015768
"1713456"	284.124093	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+NH4+HCOOH"	64.039293
"1184281"	96.350818	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+3Na"	68.967654
"1652715"	289.079488	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Na+HCOOH"	68.994688
"169427"	517.08864	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+2K-H"	76.91904
"610081"	737.17344	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+2K-H"	76.91904
"1098240"	297.00384	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2K-H"	76.91904
"152866"	259.047958	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"2M+2K"	77.926316
"593521"	369.090358	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"3M+2K"	77.926316
"1080952"	149.005558	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2K"	77.926316
"1111974"	299.018392	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2K+H"	78.933592
"1347997"	299.106007	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+DMSO+H"	79.021207
"1020173"	303.145176	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2ACN+H"	83.060376
"1534291"	304.138808	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+IsoProp+Na+H"	84.054008
"1002926"	152.076226	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+2ACN+2H"	84.067652
"1594149"	305.053428	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+K+HCOOH"	84.968628
"1426369"	335.084938	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+H+CF3COOH"	115.000138
"1158844"	172.589501	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+3ACN+2H"	125.094202
"1709487"	352.111485	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+NH4+CF3COOH"	132.026685
"1646229"	357.06688	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+Na+CF3COOH"	136.98208
"1584071"	373.04082	"C09985"	"Jasminine"	"C11H12N2O3"	"220.0848"	"M+K+CF3COOH"	152.95602
"804596"	207.0895	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M"	0
"977032"	188.07111	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-H2O-H"	-19.01839
"64909"	137.052390666667	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M-3H"	-3.021828
"504833"	206.082224	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M-3H"	-3.021828
"888107"	68.0225573333333	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-3H"	-3.021828
"5589"	206.082224	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M-2H"	-2.014552
"444056"	309.626974	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M-2H"	-2.014552
"818332"	102.537474	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-2H"	-2.014552
"80025"	413.171724	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M-H"	-1.007276
"522499"	620.261224	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M-H"	-1.007276
"901394"	206.082224	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-H"	-1.007276
"49080"	430.198271	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M-2H+NH4"	16.019271
"490954"	637.287771	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M-2H+NH4"	16.019271
"866570"	223.108771	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-2H+NH4"	16.019271
"37755"	435.153666	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M-2H+Na"	20.974666
"480596"	642.243166	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M-2H+Na"	20.974666
"849895"	228.064166	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-2H+Na"	20.974666
"1621370"	228.064166	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Na-2H"	20.974666
"95226"	224.070563	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M-H+Cl"	33.962126
"536370"	327.615313	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M-H+Cl"	33.962126
"934259"	120.525813	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-H+Cl"	33.962126
"277191"	449.148402	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+Cl"	34.969402
"674365"	656.237902	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+Cl"	34.969402
"1287983"	242.058902	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Cl"	34.969402
"30990"	451.127606	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M-2H+K"	36.948606
"470831"	658.217106	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M-2H+K"	36.948606
"845957"	244.038106	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-2H+K"	36.948606
"1569810"	244.038106	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+K-2H"	36.948606
"956112"	252.087694	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-H+HCOOH"	44.998194
"376395"	459.177201	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+HCOOH-H"	44.998201
"360764"	473.192851	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+Hac-H"	59.013851
"1506680"	266.103351	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Hac-H"	59.013851
"973252"	274.069651	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-H+NaCOOH"	66.980151
"125195"	242.058902	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+2Cl"	69.938804
"563173"	345.603652	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+2Cl"	69.938804
"1034161"	138.514152	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2Cl"	69.938804
"1253008"	286.008385	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Br"	78.918885
"1312174"	288.064372	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Cl+HCOOH"	80.974872
"1327116"	310.046329	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Cl+NaCOOH"	102.956829
"916355"	320.075086	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M-H+CF3COOH"	112.985586
"1296346"	356.051764	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Cl+CF3COOH"	148.962264
"1379976"	172.076824	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H-2H2O"	-35.012676
"1394192"	190.0868	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H-H2O"	-17.0027
"289505"	415.186276	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+H"	1.007276
"683019"	622.275776	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+H"	1.007276
"1360463"	208.096776	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H"	1.007276
"134444"	208.096776	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+2H"	2.014552
"569265"	311.641526	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+2H"	2.014552
"1039158"	104.552026	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2H"	2.014552
"207787"	139.066942666667	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+3H"	3.021828
"644596"	208.096776	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+3H"	3.021828
"1168398"	70.0371093333333	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+3H"	3.021828
"429482"	432.212823	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+NH4"	18.033823
"789384"	639.302323	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+NH4"	18.033823
"1692278"	225.123323	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+NH4"	18.033823
"340557"	216.6100495	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+H+NH4"	19.041099
"725696"	320.1547995	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+H+NH4"	19.041099
"1481342"	113.0652995	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H+NH4"	19.041099
"403301"	437.168218	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+Na"	22.989218
"761017"	644.257718	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+Na"	22.989218
"1615676"	230.078718	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Na"	22.989218
"324253"	219.087747	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+H+Na"	23.996494
"717041"	322.632497	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+H+Na"	23.996494
"1469767"	115.542997	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H+Na"	23.996494
"1057546"	77.3644233333333	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2H+Na"	25.00377
"1266877"	240.122986	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+CH3OH+H"	33.033486
"389828"	453.142158	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+K"	38.963158
"747539"	660.231658	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+K"	38.963158
"1548500"	246.052658	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+K"	38.963158
"304585"	227.074717	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+H+K"	39.970434
"698098"	330.619467	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+H+K"	39.970434
"1449731"	123.529967	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H+K"	39.970434
"239428"	456.212826	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+ACN+H"	42.033826
"1217609"	249.123326	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+ACN+H"	42.033826
"1199305"	125.065301	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+ACN+2H"	43.041102
"194363"	459.15016	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+2Na-H"	44.97116
"632829"	666.23966	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+2Na-H"	44.97116
"1134874"	252.06066	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2Na-H"	44.97116
"175249"	230.078718	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+2Na"	45.978436
"620277"	333.623468	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+2Na"	45.978436
"1126699"	126.533968	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2Na"	45.978436
"1409859"	84.6917373333333	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H+2Na"	46.985712
"1442706"	254.102246	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H+HCOOH"	47.012746
"233494"	235.11174	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+3H2O+2H"	56.04448
"1514993"	268.15429	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+IsoProp+H"	61.06479
"416868"	238.065688	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+Na+K"	61.952376
"773125"	341.610438	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+Na+K"	61.952376
"1673103"	134.520938	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Na+K"	61.952376
"262903"	478.194768	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+ACN+Na"	64.015768
"1233426"	271.105268	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+ACN+Na"	64.015768
"1715024"	271.128793	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+NH4+HCOOH"	64.039293
"1184391"	92.0190513333333	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+3Na"	68.967654
"1654284"	276.084188	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Na+HCOOH"	68.994688
"166987"	491.09804	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+2K-H"	76.91904
"606182"	698.18754	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+2K-H"	76.91904
"1095799"	284.00854	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2K-H"	76.91904
"151882"	246.052658	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"2M+2K"	77.926316
"590352"	349.597408	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"3M+2K"	77.926316
"1079604"	142.507908	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2K"	77.926316
"1110261"	286.023092	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2K+H"	78.933592
"1348836"	286.110707	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+DMSO+H"	79.021207
"1018097"	290.149876	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2ACN+H"	83.060376
"1535495"	291.143508	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+IsoProp+Na+H"	84.054008
"1003400"	145.578576	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+2ACN+2H"	84.067652
"1596446"	292.058128	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+K+HCOOH"	84.968628
"1425386"	322.089638	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+H+CF3COOH"	115.000138
"1158590"	166.091851	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+3ACN+2H"	125.094202
"1710326"	339.116185	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+NH4+CF3COOH"	132.026685
"1646339"	344.07158	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+Na+CF3COOH"	136.98208
"1584181"	360.04552	"C09986"	"Rhexifoline"	"C11H13NO3"	"207.0895"	"M+K+CF3COOH"	152.95602
"804706"	167.1674	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M"	0
"976048"	148.14901	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-H2O-H"	-19.01839
"64288"	110.437657333333	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M-3H"	-3.021828
"504212"	166.160124	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M-3H"	-3.021828
"886031"	54.7151906666667	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-3H"	-3.021828
"4606"	166.160124	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M-2H"	-2.014552
"444166"	249.743824	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M-2H"	-2.014552
"817711"	82.576424	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-2H"	-2.014552
"80863"	333.327524	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M-H"	-1.007276
"521880"	500.494924	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M-H"	-1.007276
"900411"	166.160124	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-H"	-1.007276
"47490"	350.354071	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M-2H+NH4"	16.019271
"489971"	517.521471	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M-2H+NH4"	16.019271
"865100"	183.186671	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-2H+NH4"	16.019271
"37865"	355.309466	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M-2H+Na"	20.974666
"479613"	522.476866	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M-2H+Na"	20.974666
"849759"	188.142066	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-2H+Na"	20.974666
"1620389"	188.142066	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Na-2H"	20.974666
"95944"	184.148463	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M-H+Cl"	33.962126
"537574"	267.732163	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M-H+Cl"	33.962126
"934369"	100.564763	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-H+Cl"	33.962126
"275113"	369.304202	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+Cl"	34.969402
"673256"	536.471602	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+Cl"	34.969402
"1287120"	202.136802	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Cl"	34.969402
"27972"	371.283406	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M-2H+K"	36.948606
"469720"	538.450806	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M-2H+K"	36.948606
"844240"	204.116006	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-2H+K"	36.948606
"1568459"	204.116006	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+K-2H"	36.948606
"954885"	212.165594	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-H+HCOOH"	44.998194
"375653"	379.333001	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+HCOOH-H"	44.998201
"360507"	393.348651	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+Hac-H"	59.013851
"1503628"	226.181251	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Hac-H"	59.013851
"970076"	234.147551	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-H+NaCOOH"	66.980151
"122264"	202.136802	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+2Cl"	69.938804
"564621"	285.720502	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+2Cl"	69.938804
"1034269"	118.553102	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2Cl"	69.938804
"1250931"	246.086285	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Br"	78.918885
"1311190"	248.142272	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Cl+HCOOH"	80.974872
"1324674"	270.124229	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Cl+NaCOOH"	102.956829
"914279"	280.152986	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M-H+CF3COOH"	112.985586
"1296456"	316.129664	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Cl+CF3COOH"	148.962264
"1376806"	132.154724	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H-2H2O"	-35.012676
"1394302"	150.1647	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H-H2O"	-17.0027
"289615"	335.342076	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+H"	1.007276
"679849"	502.509476	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+H"	1.007276
"1359480"	168.174676	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H"	1.007276
"133461"	168.174676	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+2H"	2.014552
"566945"	251.758376	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+2H"	2.014552
"1037568"	84.590976	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2H"	2.014552
"204737"	112.452209333333	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+3H"	3.021828
"644665"	168.174676	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+3H"	3.021828
"1168508"	56.7297426666667	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+3H"	3.021828
"429592"	352.368623	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+NH4"	18.033823
"789494"	519.536023	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+NH4"	18.033823
"1690202"	185.201223	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+NH4"	18.033823
"338480"	176.6879495	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+H+NH4"	19.041099
"734189"	260.2716495	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+H+NH4"	19.041099
"1488011"	93.1042495	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H+NH4"	19.041099
"400130"	357.324018	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+Na"	22.989218
"762218"	524.491418	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+Na"	22.989218
"1610316"	190.156618	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Na"	22.989218
"324727"	179.165647	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+H+Na"	23.996494
"717149"	262.749347	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+H+Na"	23.996494
"1469873"	95.581947	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H+Na"	23.996494
"1058747"	64.0570566666667	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2H+Na"	25.00377
"1268079"	200.200886	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+CH3OH+H"	33.033486
"386654"	373.297958	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+K"	38.963158
"740116"	540.465358	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+K"	38.963158
"1542047"	206.130558	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+K"	38.963158
"299101"	187.152617	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+H+K"	39.970434
"697114"	270.736317	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+H+K"	39.970434
"1448747"	103.568917	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H+K"	39.970434
"239902"	376.368626	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+ACN+H"	42.033826
"1217719"	209.201226	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+ACN+H"	42.033826
"1199049"	105.104251	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+ACN+2H"	43.041102
"194105"	379.30596	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+2Na-H"	44.97116
"634031"	546.47336	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+2Na-H"	44.97116
"1133890"	212.13856	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2Na-H"	44.97116
"175359"	190.156618	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+2Na"	45.978436
"618563"	273.740318	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+2Na"	45.978436
"1122798"	106.572918	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2Na"	45.978436
"1408510"	71.3843706666667	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H+2Na"	46.985712
"1441357"	214.180146	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H+HCOOH"	47.012746
"232145"	195.18964	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+3H2O+2H"	56.04448
"1514010"	228.23219	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+IsoProp+H"	61.06479
"415885"	198.143588	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+Na+K"	61.952376
"772142"	281.727288	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+Na+K"	61.952376
"1669933"	114.559888	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Na+K"	61.952376
"263013"	398.350568	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+ACN+Na"	64.015768
"1232442"	231.183168	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+ACN+Na"	64.015768
"1714767"	231.206693	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+NH4+HCOOH"	64.039293
"1184501"	78.7116846666667	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+3Na"	68.967654
"1657674"	236.162088	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Na+HCOOH"	68.994688
"167460"	411.25384	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+2K-H"	76.91904
"607021"	578.42124	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+2K-H"	76.91904
"1095544"	244.08644	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2K-H"	76.91904
"152721"	206.130558	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"2M+2K"	77.926316
"593377"	289.714258	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"3M+2K"	77.926316
"1081173"	122.546858	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2K"	77.926316
"1111828"	246.100992	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2K+H"	78.933592
"1349313"	246.188607	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+DMSO+H"	79.021207
"1017480"	250.227776	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2ACN+H"	83.060376
"1537792"	251.221408	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+IsoProp+Na+H"	84.054008
"1003633"	125.617526	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+2ACN+2H"	84.067652
"1598743"	252.136028	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+K+HCOOH"	84.968628
"1425132"	282.167538	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+H+CF3COOH"	115.000138
"1158701"	146.130801	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+3ACN+2H"	125.094202
"1710436"	299.194085	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+NH4+CF3COOH"	132.026685
"1646449"	304.14948	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+Na+CF3COOH"	136.98208
"1584291"	320.12342	"C09987"	"beta-Skytanthine"	"C11H21N"	"167.1674"	"M+K+CF3COOH"	152.95602
"805909"	179.131	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M"	0
"976523"	160.11261	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-H2O-H"	-19.01839
"64156"	118.413390666667	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M-3H"	-3.021828
"503958"	178.123724	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M-3H"	-3.021828
"888327"	58.7030573333333	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-3H"	-3.021828
"4716"	178.123724	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M-2H"	-2.014552
"444276"	267.689224	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M-2H"	-2.014552
"819890"	88.558224	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-2H"	-2.014552
"79880"	357.254724	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M-H"	-1.007276
"521627"	536.385724	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M-H"	-1.007276
"899428"	178.123724	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-H"	-1.007276
"47960"	374.281271	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M-2H+NH4"	16.019271
"490081"	553.412271	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M-2H+NH4"	16.019271
"865088"	195.150271	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-2H+NH4"	16.019271
"37975"	379.236666	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M-2H+Na"	20.974666
"479723"	558.367666	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M-2H+Na"	20.974666
"853153"	200.105666	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-2H+Na"	20.974666
"1623778"	200.105666	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Na-2H"	20.974666
"96298"	196.112063	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M-H+Cl"	33.962126
"537684"	285.677563	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M-H+Cl"	33.962126
"935573"	106.546563	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-H+Cl"	33.962126
"273039"	393.231402	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+Cl"	34.969402
"670935"	572.362402	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+Cl"	34.969402
"1282245"	214.100402	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Cl"	34.969402
"26989"	395.210606	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M-2H+K"	36.948606
"465455"	574.341606	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M-2H+K"	36.948606
"839977"	216.079606	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-2H+K"	36.948606
"1566745"	216.079606	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+K-2H"	36.948606
"949159"	224.129194	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-H+HCOOH"	44.998194
"367375"	403.260201	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+HCOOH-H"	44.998201
"352352"	417.275851	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+Hac-H"	59.013851
"1500090"	238.144851	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Hac-H"	59.013851
"966905"	246.111151	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-H+NaCOOH"	66.980151
"117634"	214.100402	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+2Cl"	69.938804
"555006"	303.665902	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+2Cl"	69.938804
"1027087"	124.534902	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2Cl"	69.938804
"1244478"	258.049885	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Br"	78.918885
"1307290"	260.105872	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Cl+HCOOH"	80.974872
"1326608"	282.087829	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Cl+NaCOOH"	102.956829
"912317"	292.116586	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M-H+CF3COOH"	112.985586
"1291094"	328.093264	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Cl+CF3COOH"	148.962264
"1372540"	144.118324	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H-2H2O"	-35.012676
"1392226"	162.1283	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H-H2O"	-17.0027
"287539"	359.269276	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+H"	1.007276
"678865"	538.400276	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+H"	1.007276
"1354121"	180.138276	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H"	1.007276
"131383"	180.138276	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+2H"	2.014552
"566083"	269.703776	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+2H"	2.014552
"1037061"	90.572776	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2H"	2.014552
"204967"	120.427942666667	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+3H"	3.021828
"644408"	180.138276	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+3H"	3.021828
"1164607"	60.7176093333333	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+3H"	3.021828
"426784"	376.295823	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+NH4"	18.033823
"789969"	555.426823	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+NH4"	18.033823
"1685938"	197.164823	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+NH4"	18.033823
"333851"	188.6515495	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+H+NH4"	19.041099
"728829"	278.2170495	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+H+NH4"	19.041099
"1487024"	99.0860495	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H+NH4"	19.041099
"404612"	381.251218	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+Na"	22.989218
"762328"	560.382218	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+Na"	22.989218
"1612612"	202.120218	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Na"	22.989218
"322649"	191.129247	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+H+Na"	23.996494
"717259"	280.694747	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+H+Na"	23.996494
"1468890"	101.563747	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H+Na"	23.996494
"1058857"	68.0449233333333	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2H+Na"	25.00377
"1264909"	212.164486	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+CH3OH+H"	33.033486
"385671"	397.225158	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+K"	38.963158
"743385"	576.356158	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+K"	38.963158
"1541428"	218.094158	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+K"	38.963158
"299090"	199.116217	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+H+K"	39.970434
"693944"	288.681717	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+H+K"	39.970434
"1446306"	109.550717	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H+K"	39.970434
"239283"	400.295826	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+ACN+H"	42.033826
"1217829"	221.164826	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+ACN+H"	42.033826
"1199159"	111.086051	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+ACN+2H"	43.041102
"194945"	403.23316	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+2Na-H"	44.97116
"636327"	582.36416	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+2Na-H"	44.97116
"1133635"	224.10216	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2Na-H"	44.97116
"179114"	202.120218	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+2Na"	45.978436
"616486"	291.685718	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+2Na"	45.978436
"1123272"	112.554718	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2Na"	45.978436
"1403515"	75.3722373333333	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H+2Na"	46.985712
"1440736"	226.143746	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H+HCOOH"	47.012746
"230432"	207.15324	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+3H2O+2H"	56.04448
"1519587"	240.19579	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+IsoProp+H"	61.06479
"417088"	210.107188	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+Na+K"	61.952376
"774805"	299.672688	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+Na+K"	61.952376
"1676603"	120.541688	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Na+K"	61.952376
"258749"	422.277768	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+ACN+Na"	64.015768
"1235833"	243.146768	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+ACN+Na"	64.015768
"1715244"	243.170293	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+NH4+HCOOH"	64.039293
"1179870"	82.6995513333333	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+3Na"	68.967654
"1654138"	248.125688	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Na+HCOOH"	68.994688
"169026"	435.18104	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+2K-H"	76.91904
"608951"	614.31204	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+2K-H"	76.91904
"1096746"	256.05004	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2K-H"	76.91904
"152100"	218.094158	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"2M+2K"	77.926316
"592027"	307.659658	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"3M+2K"	77.926316
"1081647"	128.528658	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2K"	77.926316
"1110479"	258.064592	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2K+H"	78.933592
"1350151"	258.152207	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+DMSO+H"	79.021207
"1019774"	262.191376	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2ACN+H"	83.060376
"1536810"	263.185008	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+IsoProp+Na+H"	84.054008
"1004473"	131.599326	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+2ACN+2H"	84.067652
"1596666"	264.099628	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+K+HCOOH"	84.968628
"1425242"	294.131138	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+H+CF3COOH"	115.000138
"1160997"	152.112601	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+3ACN+2H"	125.094202
"1710910"	311.157685	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+NH4+CF3COOH"	132.026685
"1646559"	316.11308	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+Na+CF3COOH"	136.98208
"1584401"	332.08702	"C09988"	"Tecomine;Tecomanine"	"C11H17NO"	"179.131"	"M+K+CF3COOH"	152.95602
"804926"	183.1623	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M"	0
"974810"	164.14391	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-H2O-H"	-19.01839
"66697"	121.100924	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M-3H"	-3.021828
"504435"	182.155024	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M-3H"	-3.021828
"882971"	60.046824	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-3H"	-3.021828
"4826"	182.155024	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M-2H"	-2.014552
"444386"	273.736174	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M-2H"	-2.014552
"818907"	90.573874	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-2H"	-2.014552
"80476"	365.317324	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M-H"	-1.007276
"521007"	548.479624	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M-H"	-1.007276
"899538"	182.155024	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-H"	-1.007276
"47623"	382.343871	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M-2H+NH4"	16.019271
"489098"	565.506171	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M-2H+NH4"	16.019271
"864833"	199.181571	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-2H+NH4"	16.019271
"40272"	387.299266	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M-2H+Na"	20.974666
"479833"	570.461566	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M-2H+Na"	20.974666
"854356"	204.136966	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-2H+Na"	20.974666
"1627170"	204.136966	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Na-2H"	20.974666
"99326"	200.143363	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M-H+Cl"	33.962126
"535607"	291.724513	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M-H+Cl"	33.962126
"931309"	108.562213	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-H+Cl"	33.962126
"272054"	401.294002	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+Cl"	34.969402
"672136"	584.456302	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+Cl"	34.969402
"1284542"	218.131702	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Cl"	34.969402
"30015"	403.273206	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M-2H+K"	36.948606
"465565"	586.435506	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M-2H+K"	36.948606
"840087"	220.110906	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-2H+K"	36.948606
"1566855"	220.110906	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+K-2H"	36.948606
"947083"	228.160494	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-H+HCOOH"	44.998194
"368579"	411.322801	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+HCOOH-H"	44.998201
"352463"	425.338451	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+Hac-H"	59.013851
"1496920"	242.176151	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Hac-H"	59.013851
"964463"	250.142451	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-H+NaCOOH"	66.980151
"115558"	218.131702	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+2Cl"	69.938804
"555118"	309.712852	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+2Cl"	69.938804
"1027196"	126.550552	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2Cl"	69.938804
"1242764"	262.081185	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Br"	78.918885
"1304850"	264.137172	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Cl+HCOOH"	80.974872
"1321979"	286.119129	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Cl+NaCOOH"	102.956829
"915589"	296.147886	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M-H+CF3COOH"	112.985586
"1291569"	332.124564	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Cl+CF3COOH"	148.962264
"1370464"	148.149624	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H-2H2O"	-35.012676
"1392336"	166.1596	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H-H2O"	-17.0027
"294209"	367.331876	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+H"	1.007276
"682256"	550.494176	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+H"	1.007276
"1356418"	184.169576	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H"	1.007276
"132586"	184.169576	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+2H"	2.014552
"566028"	275.750726	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+2H"	2.014552
"1038033"	92.588426	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2H"	2.014552
"204667"	123.115476	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+3H"	3.021828
"644760"	184.169576	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+3H"	3.021828
"1165810"	62.061376	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+3H"	3.021828
"426165"	384.358423	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+NH4"	18.033823
"791172"	567.520723	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+NH4"	18.033823
"1686048"	201.196123	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+NH4"	18.033823
"335784"	192.6828495	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+H+NH4"	19.041099
"730032"	284.2639995	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+H+NH4"	19.041099
"1482758"	101.1016995	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H+NH4"	19.041099
"406908"	389.313818	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+Na"	22.989218
"765718"	572.476118	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+Na"	22.989218
"1614909"	206.151518	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Na"	22.989218
"324946"	195.160547	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+H+Na"	23.996494
"719555"	286.741697	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+H+Na"	23.996494
"1469006"	103.579397	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H+Na"	23.996494
"1056784"	69.38869	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2H+Na"	25.00377
"1269033"	216.195786	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+CH3OH+H"	33.033486
"385783"	405.287758	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+K"	38.963158
"744589"	588.450058	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+K"	38.963158
"1540442"	222.125458	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+K"	38.963158
"298584"	203.147517	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+H+K"	39.970434
"691703"	294.728667	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+H+K"	39.970434
"1447145"	111.566367	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H+K"	39.970434
"238300"	408.358426	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+ACN+H"	42.033826
"1217939"	225.196126	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+ACN+H"	42.033826
"1197083"	113.101701	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+ACN+2H"	43.041102
"193962"	411.29576	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+2Na-H"	44.97116
"634980"	594.45806	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+2Na-H"	44.97116
"1133381"	228.13346	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2Na-H"	44.97116
"179955"	206.151518	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+2Na"	45.978436
"616596"	297.732668	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+2Na"	45.978436
"1122654"	114.570368	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2Na"	45.978436
"1400345"	76.716004	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H+2Na"	46.985712
"1437565"	230.175046	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H+HCOOH"	47.012746
"231636"	211.18454	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+3H2O+2H"	56.04448
"1519697"	244.22709	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+IsoProp+H"	61.06479
"417198"	214.138488	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+Na+K"	61.952376
"778195"	305.719638	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+Na+K"	61.952376
"1676713"	122.557338	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Na+K"	61.952376
"261047"	430.340368	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+ACN+Na"	64.015768
"1235943"	247.178068	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+ACN+Na"	64.015768
"1719364"	247.201593	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+NH4+HCOOH"	64.039293
"1180709"	84.043318	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+3Na"	68.967654
"1654248"	252.156988	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Na+HCOOH"	68.994688
"168406"	443.24364	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+2K-H"	76.91904
"607968"	626.40594	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+2K-H"	76.91904
"1093938"	260.08134	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2K-H"	76.91904
"148930"	222.125458	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"2M+2K"	77.926316
"595784"	313.706608	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"3M+2K"	77.926316
"1069722"	130.544308	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2K"	77.926316
"1109130"	262.095892	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2K+H"	78.933592
"1342602"	262.183507	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+DMSO+H"	79.021207
"1020490"	266.222676	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2ACN+H"	83.060376
"1538735"	267.216308	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+IsoProp+Na+H"	84.054008
"1000080"	133.614976	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+2ACN+2H"	84.067652
"1599694"	268.130928	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+K+HCOOH"	84.968628
"1426809"	298.162438	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+H+CF3COOH"	115.000138
"1159650"	154.128251	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+3ACN+2H"	125.094202
"1711020"	315.188985	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+NH4+CF3COOH"	132.026685
"1646669"	320.14438	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+Na+CF3COOH"	136.98208
"1584511"	336.11832	"C09989"	"Tecostanine"	"C11H21NO"	"183.1623"	"M+K+CF3COOH"	152.95602
"805036"	494.2967	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M"	0
"974921"	475.27831	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-H2O-H"	-19.01839
"63528"	328.523857333333	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M-3H"	-3.021828
"503455"	493.289424	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M-3H"	-3.021828
"894747"	163.758290666667	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-3H"	-3.021828
"10404"	493.289424	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M-2H"	-2.014552
"443403"	740.437774	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M-2H"	-2.014552
"817385"	246.141074	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-2H"	-2.014552
"79249"	987.586124	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M-H"	-1.007276
"518639"	1481.882824	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M-H"	-1.007276
"900012"	493.289424	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-H"	-1.007276
"56212"	1004.612671	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M-2H+NH4"	16.019271
"492492"	1498.909371	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M-2H+NH4"	16.019271
"872482"	510.315971	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-2H+NH4"	16.019271
"43299"	1009.568066	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M-2H+Na"	20.974666
"481037"	1503.864766	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M-2H+Na"	20.974666
"853372"	515.271366	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-2H+Na"	20.974666
"1628373"	515.271366	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Na-2H"	20.974666
"100527"	511.277763	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M-H+Cl"	33.962126
"536081"	758.426113	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M-H+Cl"	33.962126
"931419"	264.129413	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-H+Cl"	33.962126
"272163"	1023.562802	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+Cl"	34.969402
"668966"	1517.859502	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+Cl"	34.969402
"1279185"	529.266102	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Cl"	34.969402
"22834"	1025.542006	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M-2H+K"	36.948606
"467864"	1519.838706	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M-2H+K"	36.948606
"838010"	531.245306	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-2H+K"	36.948606
"1564778"	531.245306	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+K-2H"	36.948606
"949381"	539.294894	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-H+HCOOH"	44.998194
"365409"	1033.591601	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+HCOOH-H"	44.998201
"352573"	1047.607251	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+Hac-H"	59.013851
"1497031"	553.310551	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Hac-H"	59.013851
"964573"	561.276851	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-H+NaCOOH"	66.980151
"117855"	529.266102	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+2Cl"	69.938804
"553040"	776.414452	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+2Cl"	69.938804
"1022325"	282.117752	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2Cl"	69.938804
"1243237"	573.215585	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Br"	78.918885
"1305324"	575.271572	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Cl+HCOOH"	80.974872
"1322817"	597.253529	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Cl+NaCOOH"	102.956829
"913876"	607.282286	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M-H+CF3COOH"	112.985586
"1290220"	643.258964	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Cl+CF3COOH"	148.962264
"1370574"	459.284024	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H-2H2O"	-35.012676
"1394632"	477.294	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H-H2O"	-17.0027
"287760"	989.600676	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+H"	1.007276
"682366"	1483.897376	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+H"	1.007276
"1358715"	495.303976	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H"	1.007276
"130509"	495.303976	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+2H"	2.014552
"567882"	742.452326	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+2H"	2.014552
"1038138"	248.155626	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2H"	2.014552
"204374"	330.538409333333	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+3H"	3.021828
"644365"	495.303976	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+3H"	3.021828
"1165920"	165.772842666667	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+3H"	3.021828
"427004"	1006.627223	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+NH4"	18.033823
"790917"	1500.923923	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+NH4"	18.033823
"1685792"	512.330523	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+NH4"	18.033823
"335894"	503.8172495	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+H+NH4"	19.041099
"730141"	750.9655995	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+H+NH4"	19.041099
"1482503"	256.6688995	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H+NH4"	19.041099
"405925"	1011.582618	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+Na"	22.989218
"762547"	1505.879318	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+Na"	22.989218
"1612833"	517.285918	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Na"	22.989218
"318495"	506.294947	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+H+Na"	23.996494
"717479"	753.443297	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+H+Na"	23.996494
"1472393"	259.146597	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H+Na"	23.996494
"1062358"	173.100156666667	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2H+Na"	25.00377
"1264037"	527.330186	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+CH3OH+H"	33.033486
"383707"	1027.556558	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+K"	38.963158
"745795"	1521.853258	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+K"	38.963158
"1546754"	533.259858	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+K"	38.963158
"299552"	514.281917	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+H+K"	39.970434
"691974"	761.430267	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+H+K"	39.970434
"1447255"	267.133567	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H+K"	39.970434
"239141"	1030.627226	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+ACN+H"	42.033826
"1223640"	536.330526	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+ACN+H"	42.033826
"1203026"	268.668901	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+ACN+2H"	43.041102
"201000"	1033.56456	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+2Na-H"	44.97116
"638737"	1527.86126	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+2Na-H"	44.97116
"1138596"	539.26786	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2Na-H"	44.97116
"183346"	517.285918	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+2Na"	45.978436
"622906"	764.434268	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+2Na"	45.978436
"1127504"	270.137568	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2Na"	45.978436
"1404467"	180.427470666667	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H+2Na"	46.985712
"1437676"	541.309446	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H+HCOOH"	47.012746
"233085"	522.31894	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+3H2O+2H"	56.04448
"1521267"	555.36149	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+IsoProp+H"	61.06479
"421684"	525.272888	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+Na+K"	61.952376
"777216"	772.421238	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+Na+K"	61.952376
"1673546"	278.124538	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Na+K"	61.952376
"261157"	1052.609168	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+ACN+Na"	64.015768
"1237146"	558.312468	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+ACN+Na"	64.015768
"1718380"	558.335993	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+NH4+HCOOH"	64.039293
"1180453"	187.754784666667	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+3Na"	68.967654
"1654358"	563.291388	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Na+HCOOH"	68.994688
"164868"	1065.51244	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+2K-H"	76.91904
"603336"	1559.80914	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+2K-H"	76.91904
"1094046"	571.21574	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2K-H"	76.91904
"145761"	533.259858	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"2M+2K"	77.926316
"586415"	780.408208	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"3M+2K"	77.926316
"1078220"	286.111508	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2K"	77.926316
"1104138"	573.230292	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2K+H"	78.933592
"1350614"	573.317907	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+DMSO+H"	79.021207
"1020357"	577.357076	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2ACN+H"	83.060376
"1538481"	578.350708	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+IsoProp+Na+H"	84.054008
"1003473"	289.182176	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+2ACN+2H"	84.067652
"1601261"	579.265328	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+K+HCOOH"	84.968628
"1426919"	609.296838	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+H+CF3COOH"	115.000138
"1160125"	309.695451	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+3ACN+2H"	125.094202
"1711861"	626.323385	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+NH4+CF3COOH"	132.026685
"1646779"	631.27878	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+Na+CF3COOH"	136.98208
"1578058"	647.25272	"C09990"	"Thiobinupharidine"	"C30H42N2O2S"	"494.2967"	"M+K+CF3COOH"	152.95602
"808426"	177.1154	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M"	0
"978677"	158.09701	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-H2O-H"	-19.01839
"71293"	117.069657333333	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M-3H"	-3.021828
"505386"	176.108124	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M-3H"	-3.021828
"895220"	58.0311906666667	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-3H"	-3.021828
"7234"	176.108124	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M-2H"	-2.014552
"443513"	264.665824	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M-2H"	-2.014552
"818762"	87.550424	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-2H"	-2.014552
"79238"	353.223524	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M-H"	-1.007276
"519768"	530.338924	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M-H"	-1.007276
"900122"	176.108124	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-H"	-1.007276
"58508"	370.250071	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M-2H+NH4"	16.019271
"493695"	547.365471	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M-2H+NH4"	16.019271
"873685"	193.134671	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-2H+NH4"	16.019271
"43774"	375.205466	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M-2H+Na"	20.974666
"483699"	552.320866	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M-2H+Na"	20.974666
"853481"	198.090066	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-2H+Na"	20.974666
"1627389"	198.090066	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Na-2H"	20.974666
"102826"	194.096463	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M-H+Cl"	33.962126
"537285"	282.654163	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M-H+Cl"	33.962126
"930437"	105.538763	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-H+Cl"	33.962126
"270087"	389.200202	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+Cl"	34.969402
"669075"	566.315602	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+Cl"	34.969402
"1279295"	212.084802	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Cl"	34.969402
"22944"	391.179406	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M-2H+K"	36.948606
"466880"	568.294806	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M-2H+K"	36.948606
"841400"	214.064006	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-2H+K"	36.948606
"1563795"	214.064006	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+K-2H"	36.948606
"948396"	222.113594	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-H+HCOOH"	44.998194
"366611"	399.229001	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+HCOOH-H"	44.998201
"351586"	413.244651	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+Hac-H"	59.013851
"1497140"	236.129251	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Hac-H"	59.013851
"964682"	244.095551	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-H+NaCOOH"	66.980151
"113590"	212.084802	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+2Cl"	69.938804
"551326"	300.642502	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+2Cl"	69.938804
"1023404"	123.527102	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2Cl"	69.938804
"1244439"	256.034285	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Br"	78.918885
"1305798"	258.090272	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Cl+HCOOH"	80.974872
"1324384"	280.072229	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Cl+NaCOOH"	102.956829
"915808"	290.100986	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M-H+CF3COOH"	112.985586
"1291423"	326.077664	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Cl+CF3COOH"	148.962264
"1370684"	142.102724	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H-2H2O"	-35.012676
"1390369"	160.1127	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H-H2O"	-17.0027
"287870"	355.238076	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+H"	1.007276
"679196"	532.353476	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+H"	1.007276
"1357732"	178.122676	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H"	1.007276
"127339"	178.122676	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+2H"	2.014552
"567019"	266.680376	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+2H"	2.014552
"1038246"	89.564976	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2H"	2.014552
"204566"	119.084209333333	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+3H"	3.021828
"644250"	178.122676	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+3H"	3.021828
"1165301"	60.0457426666667	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+3H"	3.021828
"426750"	372.264623	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+NH4"	18.033823
"794307"	549.380023	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+NH4"	18.033823
"1686268"	195.149223	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+NH4"	18.033823
"335640"	186.6359495	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+H+NH4"	19.041099
"729157"	275.1936495	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+H+NH4"	19.041099
"1481155"	98.0782495	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H+NH4"	19.041099
"398380"	377.220018	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+Na"	22.989218
"764843"	554.335418	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+Na"	22.989218
"1616223"	200.104618	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Na"	22.989218
"318605"	189.113647	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+H+Na"	23.996494
"717589"	277.671347	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+H+Na"	23.996494
"1470316"	100.555947	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H+Na"	23.996494
"1061374"	67.3730566666667	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2H+Na"	25.00377
"1264147"	210.148886	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+CH3OH+H"	33.033486
"384910"	393.193958	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+K"	38.963158
"746998"	570.309358	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+K"	38.963158
"1547957"	216.078558	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+K"	38.963158
"300754"	197.100617	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+H+K"	39.970434
"693906"	285.658317	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+H+K"	39.970434
"1447365"	108.542917	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H+K"	39.970434
"238887"	396.264626	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+ACN+H"	42.033826
"1223628"	219.149226	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+ACN+H"	42.033826
"1203136"	110.078251	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+ACN+2H"	43.041102
"200017"	399.20196	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+2Na-H"	44.97116
"641034"	576.31736	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+2Na-H"	44.97116
"1139072"	222.08656	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2Na-H"	44.97116
"181999"	200.104618	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+2Na"	45.978436
"620466"	288.662318	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+2Na"	45.978436
"1126886"	111.546918	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2Na"	45.978436
"1404577"	74.7003706666667	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H+2Na"	46.985712
"1437786"	224.128146	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H+HCOOH"	47.012746
"232222"	205.13764	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+3H2O+2H"	56.04448
"1521013"	238.18019	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+IsoProp+H"	61.06479
"418149"	208.091588	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+Na+K"	61.952376
"779513"	296.649288	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+Na+K"	61.952376
"1674749"	119.533888	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Na+K"	61.952376
"260174"	418.246568	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+ACN+Na"	64.015768
"1238349"	241.131168	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+ACN+Na"	64.015768
"1717397"	241.154693	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+NH4+HCOOH"	64.039293
"1182023"	82.0276846666667	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+3Na"	68.967654
"1659207"	246.110088	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Na+HCOOH"	68.994688
"163155"	431.14984	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+2K-H"	76.91904
"605998"	608.26524	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+2K-H"	76.91904
"1094156"	254.03444	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2K-H"	76.91904
"151338"	216.078558	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"2M+2K"	77.926316
"593451"	304.636258	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"3M+2K"	77.926316
"1080517"	127.520858	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2K"	77.926316
"1104248"	256.048992	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2K+H"	78.933592
"1350723"	256.136607	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+DMSO+H"	79.021207
"1020468"	260.175776	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2ACN+H"	83.060376
"1539566"	261.169408	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+IsoProp+Na+H"	84.054008
"1001396"	130.591526	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+2ACN+2H"	84.067652
"1598089"	262.084028	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+K+HCOOH"	84.968628
"1422655"	292.115538	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+H+CF3COOH"	115.000138
"1158411"	151.104801	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+3ACN+2H"	125.094202
"1712335"	309.142085	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+NH4+CF3COOH"	132.026685
"1646889"	314.09748	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+Na+CF3COOH"	136.98208
"1578168"	330.07142	"C09991"	"Valerianine"	"C11H15NO"	"177.1154"	"M+K+CF3COOH"	152.95602
"808536"	883.2899	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M"	0
"975871"	864.27151	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-H2O-H"	-19.01839
"65209"	587.852657333333	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M-3H"	-3.021828
"512060"	882.282624	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M-3H"	-3.021828
"889864"	293.422690666667	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-3H"	-3.021828
"10625"	882.282624	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M-2H"	-2.014552
"442531"	1323.927574	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M-2H"	-2.014552
"817412"	440.637674	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-2H"	-2.014552
"79102"	1765.572524	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M-H"	-1.007276
"519137"	2648.862424	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M-H"	-1.007276
"897683"	882.282624	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-H"	-1.007276
"49507"	1782.599071	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M-2H+NH4"	16.019271
"492712"	2665.888971	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M-2H+NH4"	16.019271
"873068"	899.309171	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-2H+NH4"	16.019271
"44978"	1787.554466	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M-2H+Na"	20.974666
"482350"	2670.844366	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M-2H+Na"	20.974666
"853592"	904.264566	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-2H+Na"	20.974666
"1622033"	904.264566	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Na-2H"	20.974666
"98566"	900.270963	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M-H+Cl"	33.962126
"542501"	1341.915913	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M-H+Cl"	33.962126
"937110"	458.626013	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-H+Cl"	33.962126
"271291"	1801.549202	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+Cl"	34.969402
"665905"	2684.839102	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+Cl"	34.969402
"1279405"	918.259302	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Cl"	34.969402
"23055"	1803.528406	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M-2H+K"	36.948606
"463708"	2686.818306	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M-2H+K"	36.948606
"841511"	920.238506	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-2H+K"	36.948606
"1561718"	920.238506	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+K-2H"	36.948606
"949601"	928.288094	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-H+HCOOH"	44.998194
"371098"	1811.578001	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+HCOOH-H"	44.998201
"347327"	1825.593651	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+Hac-H"	59.013851
"1497254"	942.303751	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Hac-H"	59.013851
"958597"	950.270051	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-H+NaCOOH"	66.980151
"110657"	918.259302	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+2Cl"	69.938804
"551797"	1359.904252	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+2Cl"	69.938804
"1023514"	476.614352	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2Cl"	69.938804
"1243091"	962.208785	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Br"	78.918885
"1310640"	964.264772	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Cl+HCOOH"	80.974872
"1325951"	986.246729	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Cl+NaCOOH"	102.956829
"920288"	996.275486	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M-H+CF3COOH"	112.985586
"1291540"	1032.252164	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Cl+CF3COOH"	148.962264
"1370798"	848.277224	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H-2H2O"	-35.012676
"1388292"	866.2872	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H-H2O"	-17.0027
"283238"	1767.587076	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+H"	1.007276
"677119"	2650.876976	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+H"	1.007276
"1355655"	884.297176	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H"	1.007276
"127449"	884.297176	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+2H"	2.014552
"565912"	1325.942126	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+2H"	2.014552
"1038477"	442.652226	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2H"	2.014552
"204593"	589.867209333333	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+3H"	3.021828
"644517"	884.297176	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+3H"	3.021828
"1169058"	295.437242666667	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+3H"	3.021828
"434519"	1784.613623	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+NH4"	18.033823
"795515"	2667.903523	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+NH4"	18.033823
"1689658"	901.323723	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+NH4"	18.033823
"337939"	892.8104495	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+H+NH4"	19.041099
"728904"	1334.4553995	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+H+NH4"	19.041099
"1485278"	451.1654995	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H+NH4"	19.041099
"405053"	1789.569018	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+Na"	22.989218
"764953"	2672.858918	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+Na"	22.989218
"1613052"	906.279118	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Na"	22.989218
"325277"	895.288147	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+H+Na"	23.996494
"716607"	1336.933097	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+H+Na"	23.996494
"1468240"	453.643197	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H+Na"	23.996494
"1058203"	302.764556666667	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2H+Na"	25.00377
"1262068"	916.323386	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+CH3OH+H"	33.033486
"381736"	1805.542958	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+K"	38.963158
"742731"	2688.832858	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+K"	38.963158
"1546973"	922.253058	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+K"	38.963158
"299770"	903.275117	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+H+K"	39.970434
"692561"	1344.920067	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+H+K"	39.970434
"1454767"	461.630167	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H+K"	39.970434
"249207"	1808.613626	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+ACN+H"	42.033826
"1223009"	925.323726	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+ACN+H"	42.033826
"1207865"	463.165501	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+ACN+2H"	43.041102
"201221"	1811.55096	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+2Na-H"	44.97116
"640052"	2694.84086	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+2Na-H"	44.97116
"1144287"	928.26106	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2Na-H"	44.97116
"184297"	906.279118	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+2Na"	45.978436
"624221"	1347.924068	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+2Na"	45.978436
"1126268"	464.634168	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2Na"	45.978436
"1406876"	310.091870666667	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H+2Na"	46.985712
"1443365"	930.302646	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H+HCOOH"	47.012746
"227594"	911.31214	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+3H2O+2H"	56.04448
"1516750"	944.35469	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+IsoProp+H"	61.06479
"413157"	914.266088	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+Na+K"	61.952376
"779623"	1355.911038	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+Na+K"	61.952376
"1672672"	472.621138	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Na+K"	61.952376
"261377"	1830.595568	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+ACN+Na"	64.015768
"1236273"	947.305668	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+ACN+Na"	64.015768
"1721153"	947.329193	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+NH4+HCOOH"	64.039293
"1183225"	317.419184666667	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+3Na"	68.967654
"1657494"	952.284588	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Na+HCOOH"	68.994688
"162901"	1843.49884	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+2K-H"	76.91904
"608296"	2726.78874	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+2K-H"	76.91904
"1092080"	960.20894	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2K-H"	76.91904
"151448"	922.253058	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"2M+2K"	77.926316
"590646"	1363.898008	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"3M+2K"	77.926316
"1082085"	480.608108	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2K"	77.926316
"1106545"	962.223492	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2K+H"	78.933592
"1347309"	962.311107	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+DMSO+H"	79.021207
"1018026"	966.350276	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2ACN+H"	83.060376
"1533965"	967.343908	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+IsoProp+Na+H"	84.054008
"999321"	483.678776	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+2ACN+2H"	84.067652
"1597106"	968.258528	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+K+HCOOH"	84.968628
"1426045"	998.290038	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+H+CF3COOH"	115.000138
"1151960"	504.192051	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+3ACN+2H"	125.094202
"1710260"	1015.316585	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+NH4+CF3COOH"	132.026685
"1648459"	1020.27198	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+Na+CF3COOH"	136.98208
"1574998"	1036.24592	"C09992"	"Wilfordine"	"C43H49NO19"	"883.2899"	"M+K+CF3COOH"	152.95602
"805366"	500.3363	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M"	0
"984368"	481.31791	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-H2O-H"	-19.01839
"68236"	332.550257333333	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M-3H"	-3.021828
"515451"	499.329024	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M-3H"	-3.021828
"894347"	165.771490666667	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-3H"	-3.021828
"10734"	499.329024	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M-2H"	-2.014552
"451387"	749.497174	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M-2H"	-2.014552
"822628"	249.160874	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-2H"	-2.014552
"84805"	999.665324	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M-H"	-1.007276
"519014"	1500.001624	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M-H"	-1.007276
"897183"	499.329024	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-H"	-1.007276
"52167"	1016.691871	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M-2H+NH4"	16.019271
"496102"	1517.028171	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M-2H+NH4"	16.019271
"873906"	516.355571	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-2H+NH4"	16.019271
"37433"	1021.647266	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M-2H+Na"	20.974666
"480274"	1521.983566	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M-2H+Na"	20.974666
"851641"	521.310966	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-2H+Na"	20.974666
"1622145"	521.310966	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Na-2H"	20.974666
"97582"	517.317363	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M-H+Cl"	33.962126
"544798"	767.485513	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M-H+Cl"	33.962126
"939408"	267.149213	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-H+Cl"	33.962126
"268728"	1035.642002	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+Cl"	34.969402
"667111"	1535.978302	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+Cl"	34.969402
"1281701"	535.305702	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Cl"	34.969402
"18062"	1037.621206	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M-2H+K"	36.948606
"458351"	1537.957506	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M-2H+K"	36.948606
"841621"	537.284906	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-2H+K"	36.948606
"1561828"	537.284906	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+K-2H"	36.948606
"944242"	545.334494	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-H+HCOOH"	44.998194
"371208"	1045.670801	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+HCOOH-H"	44.998201
"346460"	1059.686451	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+Hac-H"	59.013851
"1497364"	559.350151	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Hac-H"	59.013851
"958989"	567.316451	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-H+NaCOOH"	66.980151
"110645"	535.305702	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+2Cl"	69.938804
"554822"	785.473852	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+2Cl"	69.938804
"1022044"	285.137552	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2Cl"	69.938804
"1242106"	579.255185	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Br"	78.918885
"1311114"	581.311172	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Cl+HCOOH"	80.974872
"1323511"	603.293129	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Cl+NaCOOH"	102.956829
"922597"	613.321886	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M-H+CF3COOH"	112.985586
"1290922"	649.298564	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Cl+CF3COOH"	148.962264
"1373095"	465.323624	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H-2H2O"	-35.012676
"1384148"	483.3336	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H-H2O"	-17.0027
"283587"	1001.679876	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+H"	1.007276
"679417"	1502.016176	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+H"	1.007276
"1356860"	501.343576	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H"	1.007276
"126708"	501.343576	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+2H"	2.014552
"566629"	751.511726	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+2H"	2.014552
"1037857"	251.175426	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2H"	2.014552
"210388"	334.564809333333	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+3H"	3.021828
"645936"	501.343576	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+3H"	3.021828
"1170261"	167.786042666667	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+3H"	3.021828
"436816"	1018.706423	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+NH4"	18.033823
"796719"	1519.042723	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+NH4"	18.033823
"1689768"	518.370123	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+NH4"	18.033823
"334404"	509.8568495	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+H+NH4"	19.041099
"724639"	760.0249995	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+H+NH4"	19.041099
"1480282"	259.6886995	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H+NH4"	19.041099
"393736"	1023.661818	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+Na"	22.989218
"754974"	1523.998118	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+Na"	22.989218
"1604044"	523.325518	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Na"	22.989218
"314353"	512.334547	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+H+Na"	23.996494
"711247"	762.502697	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+H+Na"	23.996494
"1462269"	262.166397	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H+Na"	23.996494
"1053571"	175.113356666667	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2H+Na"	25.00377
"1257107"	533.369786	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+CH3OH+H"	33.033486
"377503"	1039.635758	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+K"	38.963158
"740650"	1539.972058	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+K"	38.963158
"1540877"	539.299458	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+K"	38.963158
"299145"	520.321517	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+H+K"	39.970434
"695589"	770.489667	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+H+K"	39.970434
"1452690"	270.153367	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H+K"	39.970434
"246400"	1042.706426	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+ACN+H"	42.033826
"1215099"	542.370126	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+ACN+H"	42.033826
"1204449"	271.688701	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+ACN+2H"	43.041102
"196226"	1045.64376	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+2Na-H"	44.97116
"638703"	1545.98006	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+2Na-H"	44.97116
"1145127"	545.30746	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2Na-H"	44.97116
"180396"	523.325518	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+2Na"	45.978436
"622872"	773.493668	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+2Na"	45.978436
"1120179"	273.157368	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2Na"	45.978436
"1401516"	182.440670666667	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H+2Na"	46.985712
"1441287"	547.349046	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H+HCOOH"	47.012746
"232807"	528.35854	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+3H2O+2H"	56.04448
"1520142"	561.40109	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+IsoProp+H"	61.06479
"418370"	531.312488	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+Na+K"	61.952376
"780825"	781.480638	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+Na+K"	61.952376
"1677156"	281.144338	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Na+K"	61.952376
"259300"	1064.688368	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+ACN+Na"	64.015768
"1238569"	564.352068	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+ACN+Na"	64.015768
"1718710"	564.375593	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+NH4+HCOOH"	64.039293
"1185524"	189.767984666667	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+3Na"	68.967654
"1650553"	569.330988	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Na+HCOOH"	68.994688
"163011"	1077.59164	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+2K-H"	76.91904
"602205"	1577.92794	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+2K-H"	76.91904
"1093283"	577.25534	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2K-H"	76.91904
"151558"	539.299458	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"2M+2K"	77.926316
"592577"	789.467608	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"3M+2K"	77.926316
"1080736"	289.131308	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2K"	77.926316
"1112124"	579.269892	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2K+H"	78.933592
"1348512"	579.357507	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+DMSO+H"	79.021207
"1011574"	583.396676	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2ACN+H"	83.060376
"1537353"	584.390308	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+IsoProp+Na+H"	84.054008
"1001616"	292.201976	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+2ACN+2H"	84.067652
"1601588"	585.304928	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+K+HCOOH"	84.968628
"1426153"	615.336438	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+H+CF3COOH"	115.000138
"1160817"	312.715251	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+3ACN+2H"	125.094202
"1711460"	632.362985	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+NH4+CF3COOH"	132.026685
"1649297"	637.31838	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+Na+CF3COOH"	136.98208
"1584950"	653.29232	"C09993"	"Adouetine X"	"C28H44N4O4"	"500.3363"	"M+K+CF3COOH"	152.95602
"806569"	568.305	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M"	0
"982291"	549.28661	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-H2O-H"	-19.01839
"68346"	377.862724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M-3H"	-3.021828
"515561"	567.297724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M-3H"	-3.021828
"894822"	188.427724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-3H"	-3.021828
"7564"	567.297724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M-2H"	-2.014552
"449311"	851.450224	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M-2H"	-2.014552
"817997"	283.145224	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-2H"	-2.014552
"82363"	1135.602724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M-H"	-1.007276
"519736"	1703.907724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M-H"	-1.007276
"895831"	567.297724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-H"	-1.007276
"49361"	1152.629271	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M-2H+NH4"	16.019271
"496212"	1720.934271	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M-2H+NH4"	16.019271
"872923"	584.324271	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-2H+NH4"	16.019271
"42646"	1157.584666	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M-2H+Na"	20.974666
"482207"	1725.889666	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M-2H+Na"	20.974666
"851630"	589.279666	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-2H+Na"	20.974666
"1625536"	589.279666	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Na-2H"	20.974666
"99149"	585.286063	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M-H+Cl"	33.962126
"540534"	869.438563	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M-H+Cl"	33.962126
"941219"	301.133563	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-H+Cl"	33.962126
"270416"	1171.579402	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+Cl"	34.969402
"665034"	1739.884402	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+Cl"	34.969402
"1280717"	603.274402	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Cl"	34.969402
"21086"	1173.558606	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M-2H+K"	36.948606
"459554"	1741.863606	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M-2H+K"	36.948606
"838450"	605.253606	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-2H+K"	36.948606
"1557563"	605.253606	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+K-2H"	36.948606
"946537"	613.303194	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-H+HCOOH"	44.998194
"364754"	1181.608201	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+HCOOH-H"	44.998201
"347180"	1195.623851	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+Hac-H"	59.013851
"1500754"	627.318851	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Hac-H"	59.013851
"959424"	635.285151	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-H+NaCOOH"	66.980151
"110391"	603.274402	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+2Cl"	69.938804
"551654"	887.426902	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+2Cl"	69.938804
"1023002"	319.121902	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2Cl"	69.938804
"1242580"	647.223885	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Br"	78.918885
"1308309"	649.279872	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Cl+HCOOH"	80.974872
"1321070"	671.261829	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Cl+NaCOOH"	102.956829
"919427"	681.290586	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M-H+CF3COOH"	112.985586
"1291032"	717.267264	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Cl+CF3COOH"	148.962264
"1373205"	533.292324	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H-2H2O"	-35.012676
"1384501"	551.3023	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H-H2O"	-17.0027
"283172"	1137.617276	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+H"	1.007276
"680620"	1705.922276	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+H"	1.007276
"1356970"	569.312276	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H"	1.007276
"125847"	569.312276	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+2H"	2.014552
"566010"	853.464776	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+2H"	2.014552
"1037480"	285.159776	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2H"	2.014552
"204534"	379.877276	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+3H"	3.021828
"646410"	569.312276	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+3H"	3.021828
"1170371"	190.442276	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+3H"	3.021828
"431457"	1154.643823	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+NH4"	18.033823
"793547"	1722.948823	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+NH4"	18.033823
"1686597"	586.338823	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+NH4"	18.033823
"334149"	577.8255495	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+H+NH4"	19.041099
"723656"	861.9780495	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+H+NH4"	19.041099
"1480392"	293.6730495	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H+NH4"	19.041099
"394211"	1159.599218	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+Na"	22.989218
"755692"	1727.904218	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+Na"	22.989218
"1603788"	591.294218	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Na"	22.989218
"315409"	580.303247	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+H+Na"	23.996494
"710263"	864.455747	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+H+Na"	23.996494
"1462989"	296.150747	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H+Na"	23.996494
"1053681"	197.76959	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2H+Na"	25.00377
"1257705"	601.338486	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+CH3OH+H"	33.033486
"378303"	1175.573158	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+K"	38.963158
"740396"	1743.878158	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+K"	38.963158
"1540986"	607.268158	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+K"	38.963158
"299374"	588.290217	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+H+K"	39.970434
"691797"	872.442717	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+H+K"	39.970434
"1446104"	304.137717	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H+K"	39.970434
"236170"	1178.643826	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+ACN+H"	42.033826
"1214112"	610.338826	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+ACN+H"	42.033826
"1199452"	305.673051	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+ACN+2H"	43.041102
"194512"	1181.58116	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+2Na-H"	44.97116
"633343"	1749.88616	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+2Na-H"	44.97116
"1143778"	613.27616	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2Na-H"	44.97116
"180506"	591.294218	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+2Na"	45.978436
"624075"	875.446718	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+2Na"	45.978436
"1120289"	307.141718	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2Na"	45.978436
"1402719"	205.096904	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H+2Na"	46.985712
"1440304"	615.317746	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H+HCOOH"	47.012746
"230729"	596.32724	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+3H2O+2H"	56.04448
"1519522"	629.36979	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+IsoProp+H"	61.06479
"415564"	599.281188	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+Na+K"	61.952376
"780935"	883.433688	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+Na+K"	61.952376
"1680182"	315.128688	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Na+K"	61.952376
"259410"	1200.625768	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+ACN+Na"	64.015768
"1235399"	632.320768	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+ACN+Na"	64.015768
"1718820"	632.344293	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+NH4+HCOOH"	64.039293
"1184174"	212.424218	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+3Na"	68.967654
"1655159"	637.299688	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Na+HCOOH"	68.994688
"161661"	1213.52904	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+2K-H"	76.91904
"598426"	1781.83404	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+2K-H"	76.91904
"1089381"	645.22404	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2K-H"	76.91904
"145106"	607.268158	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"2M+2K"	77.926316
"592687"	891.420658	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"3M+2K"	77.926316
"1074648"	323.115658	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2K"	77.926316
"1104577"	647.238592	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2K+H"	78.933592
"1343149"	647.326207	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+DMSO+H"	79.021207
"1013866"	651.365376	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2ACN+H"	83.060376
"1536370"	652.359008	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+IsoProp+Na+H"	84.054008
"1000631"	326.186326	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+2ACN+2H"	84.067652
"1600602"	653.273628	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+K+HCOOH"	84.968628
"1426263"	683.305138	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+H+CF3COOH"	115.000138
"1162018"	346.699601	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+3ACN+2H"	125.094202
"1712503"	700.331685	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+NH4+CF3COOH"	132.026685
"1649043"	705.28708	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+Na+CF3COOH"	136.98208
"1585060"	721.26102	"C09994"	"Adouetine Y"	"C34H40N4O4"	"568.305"	"M+K+CF3COOH"	152.95602
"805586"	699.3421	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M"	0
"982401"	680.32371	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-H2O-H"	-19.01839
"68456"	465.220790666667	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M-3H"	-3.021828
"515671"	698.334824	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M-3H"	-3.021828
"894447"	232.106757333333	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-3H"	-3.021828
"7674"	698.334824	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M-2H"	-2.014552
"449421"	1048.005874	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M-2H"	-2.014552
"817419"	348.663774	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-2H"	-2.014552
"81745"	1397.676924	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M-H"	-1.007276
"519482"	2097.019024	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M-H"	-1.007276
"896918"	698.334824	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-H"	-1.007276
"52387"	1414.703471	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M-2H+NH4"	16.019271
"494136"	2114.045571	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M-2H+NH4"	16.019271
"875221"	715.361371	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-2H+NH4"	16.019271
"39840"	1419.658866	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M-2H+Na"	20.974666
"482317"	2119.000966	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M-2H+Na"	20.974666
"851740"	720.316766	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-2H+Na"	20.974666
"1623459"	720.316766	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Na-2H"	20.974666
"97803"	716.323163	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M-H+Cl"	33.962126
"538457"	1065.994213	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M-H+Cl"	33.962126
"940721"	366.652113	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-H+Cl"	33.962126
"270161"	1433.653602	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+Cl"	34.969402
"665142"	2132.995702	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+Cl"	34.969402
"1280826"	734.311502	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Cl"	34.969402
"19008"	1435.632806	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M-2H+K"	36.948606
"458571"	2134.974906	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M-2H+K"	36.948606
"838560"	736.290706	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-2H+K"	36.948606
"1558766"	736.290706	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+K-2H"	36.948606
"945554"	744.340294	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-H+HCOOH"	44.998194
"364864"	1443.682401	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+HCOOH-H"	44.998201
"345944"	1457.698051	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+Hac-H"	59.013851
"1493451"	758.355951	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Hac-H"	59.013851
"958923"	766.322251	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-H+NaCOOH"	66.980151
"110051"	734.311502	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+2Cl"	69.938804
"551764"	1083.982552	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+2Cl"	69.938804
"1025299"	384.640452	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2Cl"	69.938804
"1241638"	778.260985	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Br"	78.918885
"1309512"	780.316972	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Cl+HCOOH"	80.974872
"1321908"	802.298929	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Cl+NaCOOH"	102.956829
"919537"	812.327686	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M-H+CF3COOH"	112.985586
"1290778"	848.304364	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Cl+CF3COOH"	148.962264
"1373315"	664.329424	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H-2H2O"	-35.012676
"1384611"	682.3394	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H-H2O"	-17.0027
"283323"	1399.691476	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+H"	1.007276
"677450"	2099.033576	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+H"	1.007276
"1354893"	700.349376	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H"	1.007276
"128509"	700.349376	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+2H"	2.014552
"565997"	1050.020426	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+2H"	2.014552
"1037956"	350.678326	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2H"	2.014552
"204557"	467.235342666667	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+3H"	3.021828
"645792"	700.349376	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+3H"	3.021828
"1167201"	234.121309333333	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+3H"	3.021828
"427194"	1416.718023	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+NH4"	18.033823
"794750"	2116.060123	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+NH4"	18.033823
"1687800"	717.375923	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+NH4"	18.033823
"333166"	708.8626495	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+H+NH4"	19.041099
"723766"	1058.5336995	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+H+NH4"	19.041099
"1480138"	359.1915995	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H+NH4"	19.041099
"393715"	1421.673418	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+Na"	22.989218
"757626"	2121.015518	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+Na"	22.989218
"1603902"	722.331318	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Na"	22.989218
"315398"	711.340347	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+H+Na"	23.996494
"710373"	1061.011397	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+H+Na"	23.996494
"1463099"	361.669297	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H+Na"	23.996494
"1054156"	241.448623333333	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2H+Na"	25.00377
"1257656"	732.375586	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+CH3OH+H"	33.033486
"379150"	1437.647358	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+K"	38.963158
"739414"	2136.989458	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+K"	38.963158
"1540247"	738.305258	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+K"	38.963158
"299727"	719.327317	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+H+K"	39.970434
"691664"	1068.998367	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+H+K"	39.970434
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"236029"	1440.718026	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+ACN+H"	42.033826
"1210161"	741.375926	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+ACN+H"	42.033826
"1200291"	371.191601	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+ACN+2H"	43.041102
"190975"	1443.65536	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+2Na-H"	44.97116
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"175147"	722.331318	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+2Na"	45.978436
"616894"	1072.002368	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+2Na"	45.978436
"1120399"	372.660268	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2Na"	45.978436
"1405017"	248.775937333333	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H+2Na"	46.985712
"1438226"	746.354846	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H+HCOOH"	47.012746
"230108"	727.36434	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+3H2O+2H"	56.04448
"1518902"	760.40689	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+IsoProp+H"	61.06479
"418953"	730.318288	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+Na+K"	61.952376
"778855"	1079.989338	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+Na+K"	61.952376
"1677011"	380.647238	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Na+K"	61.952376
"257334"	1462.699968	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+ACN+Na"	64.015768
"1232231"	763.357868	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+ACN+Na"	64.015768
"1718929"	763.381393	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+NH4+HCOOH"	64.039293
"1182097"	256.103251333333	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+3Na"	68.967654
"1656363"	768.336788	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Na+HCOOH"	68.994688
"162135"	1475.60324	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+2K-H"	76.91904
"598415"	2174.94534	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+2K-H"	76.91904
"1090584"	776.26114	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2K-H"	76.91904
"146309"	738.305258	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"2M+2K"	77.926316
"592433"	1087.976308	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"3M+2K"	77.926316
"1078039"	388.634208	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2K"	77.926316
"1106875"	778.275692	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2K+H"	78.933592
"1346541"	778.363307	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+DMSO+H"	79.021207
"1013976"	782.402476	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2ACN+H"	83.060376
"1531012"	783.396108	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+IsoProp+Na+H"	84.054008
"997460"	391.704876	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+2ACN+2H"	84.067652
"1595243"	784.310728	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+K+HCOOH"	84.968628
"1421996"	814.342238	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+H+CF3COOH"	115.000138
"1158846"	412.218151	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+3ACN+2H"	125.094202
"1712410"	831.368785	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+NH4+CF3COOH"	132.026685
"1645142"	836.32418	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+Na+CF3COOH"	136.98208
"1585170"	852.29812	"C09995"	"Adouetine Z"	"C42H45N5O5"	"699.3421"	"M+K+CF3COOH"	152.95602
"805696"	545.3002	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M"	0
"982511"	526.28181	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-H2O-H"	-19.01839
"71846"	362.526190666667	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M-3H"	-3.021828
"514688"	544.292924	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M-3H"	-3.021828
"894801"	180.759457333333	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-3H"	-3.021828
"13980"	544.292924	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M-2H"	-2.014552
"448437"	816.943024	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M-2H"	-2.014552
"822958"	271.642824	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-2H"	-2.014552
"84043"	1089.593124	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M-H"	-1.007276
"528705"	1634.893324	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M-H"	-1.007276
"905777"	544.292924	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-H"	-1.007276
"60887"	1106.619671	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M-2H+NH4"	16.019271
"499715"	1651.919871	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M-2H+NH4"	16.019271
"877640"	561.319471	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-2H+NH4"	16.019271
"45178"	1111.575066	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M-2H+Na"	20.974666
"485346"	1656.875266	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M-2H+Na"	20.974666
"857317"	566.274866	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-2H+Na"	20.974666
"1630129"	566.274866	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Na-2H"	20.974666
"104473"	562.281263	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M-H+Cl"	33.962126
"541846"	834.931363	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M-H+Cl"	33.962126
"936456"	289.631163	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-H+Cl"	33.962126
"275011"	1125.569802	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+Cl"	34.969402
"662337"	1670.870002	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+Cl"	34.969402
"1277656"	580.269602	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Cl"	34.969402
"17298"	1127.549006	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M-2H+K"	36.948606
"460869"	1672.849206	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M-2H+K"	36.948606
"838670"	582.248806	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-2H+K"	36.948606
"1558876"	582.248806	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+K-2H"	36.948606
"945664"	590.298394	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-H+HCOOH"	44.998194
"364246"	1135.598601	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+HCOOH-H"	44.998201
"347762"	1149.614251	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+Hac-H"	59.013851
"1494408"	604.314051	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Hac-H"	59.013851
"961948"	612.280351	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-H+NaCOOH"	66.980151
"111585"	580.269602	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+2Cl"	69.938804
"554059"	852.919702	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+2Cl"	69.938804
"1024318"	307.619502	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2Cl"	69.938804
"1244263"	624.219085	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Br"	78.918885
"1308168"	626.275072	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Cl+HCOOH"	80.974872
"1322024"	648.257029	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Cl+NaCOOH"	102.956829
"921835"	658.285786	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M-H+CF3COOH"	112.985586
"1297450"	694.262464	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Cl+CF3COOH"	148.962264
"1380352"	510.287524	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+H-2H2O"	-35.012676
"1397121"	528.2975	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+H-H2O"	-17.0027
"287328"	1091.607676	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+H"	1.007276
"684124"	1636.907876	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+H"	1.007276
"1357193"	546.307476	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+H"	1.007276
"130080"	546.307476	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+2H"	2.014552
"568547"	818.957576	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+2H"	2.014552
"1038438"	273.657376	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2H"	2.014552
"207071"	364.540742666667	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+3H"	3.021828
"646264"	546.307476	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+3H"	3.021828
"1170594"	182.774009333333	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+3H"	3.021828
"438241"	1108.634223	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+NH4"	18.033823
"798144"	1653.934423	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+NH4"	18.033823
"1690101"	563.334023	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+NH4"	18.033823
"337288"	554.8207495	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+H+NH4"	19.041099
"728614"	827.4708495	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+H+NH4"	19.041099
"1486811"	282.1706495	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+H+NH4"	19.041099
"403304"	1113.589618	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+Na"	22.989218
"759923"	1658.889818	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+Na"	22.989218
"1609115"	568.289418	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Na"	22.989218
"322436"	557.298447	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+H+Na"	23.996494
"712670"	829.948547	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+H+Na"	23.996494
"1468677"	284.648347	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+H+Na"	23.996494
"1057549"	190.101323333333	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2H+Na"	25.00377
"1260321"	578.333686	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+CH3OH+H"	33.033486
"379992"	1129.563558	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+K"	38.963158
"743172"	1674.863758	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+K"	38.963158
"1545220"	584.263358	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+K"	38.963158
"300575"	565.285417	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+H+K"	39.970434
"693723"	837.935517	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+H+K"	39.970434
"1448640"	292.635317	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+H+K"	39.970434
"236513"	1132.634226	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+ACN+H"	42.033826
"1211408"	587.334026	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+ACN+H"	42.033826
"1195294"	294.170651	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+ACN+2H"	43.041102
"189862"	1135.57156	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+2Na-H"	44.97116
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"1134151"	590.27136	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2Na-H"	44.97116
"175616"	568.289418	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+2Na"	45.978436
"619191"	840.939518	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+2Na"	45.978436
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"1672020"	303.626288	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Na+K"	61.952376
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"1715760"	609.339493	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+NH4+HCOOH"	64.039293
"1183300"	204.755951333333	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+3Na"	68.967654
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"597384"	1712.81964	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+2K-H"	76.91904
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"147512"	584.263358	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"2M+2K"	77.926316
"591815"	856.913458	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"3M+2K"	77.926316
"1081066"	311.613258	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2K"	77.926316
"1109903"	624.233792	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2K+H"	78.933592
"1345193"	624.321407	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+DMSO+H"	79.021207
"1015910"	628.360576	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2ACN+H"	83.060376
"1535496"	629.354208	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+IsoProp+Na+H"	84.054008
"996477"	314.683926	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+2ACN+2H"	84.067652
"1594260"	630.268828	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+K+HCOOH"	84.968628
"1423200"	660.300338	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+H+CF3COOH"	115.000138
"1155675"	335.197201	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+3ACN+2H"	125.094202
"1708508"	677.326885	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+NH4+CF3COOH"	132.026685
"1641971"	682.28228	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+Na+CF3COOH"	136.98208
"1585280"	698.25622	"C09996"	"Americine"	"C31H39N5O4"	"545.3002"	"M+K+CF3COOH"	152.95602
"805807"	573.3315	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M"	0
"982620"	554.31311	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-H2O-H"	-19.01839
"68676"	381.213724	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M-3H"	-3.021828
"509330"	572.324224	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M-3H"	-3.021828
"893943"	190.103224	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-3H"	-3.021828
"12997"	572.324224	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M-2H"	-2.014552
"448548"	858.989974	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M-2H"	-2.014552
"828535"	285.658474	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-2H"	-2.014552
"88528"	1145.655724	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M-H"	-1.007276
"528087"	1718.987224	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M-H"	-1.007276
"909901"	572.324224	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-H"	-1.007276
"62335"	1162.682271	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M-2H+NH4"	16.019271
"502141"	1736.013771	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M-2H+NH4"	16.019271
"877262"	589.350771	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-2H+NH4"	16.019271
"45408"	1167.637666	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M-2H+Na"	20.974666
"481811"	1740.969166	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M-2H+Na"	20.974666
"859612"	594.306166	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-2H+Na"	20.974666
"1630241"	594.306166	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Na-2H"	20.974666
"100208"	590.312563	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M-H+Cl"	33.962126
"543049"	876.978313	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M-H+Cl"	33.962126
"933286"	303.646813	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-H+Cl"	33.962126
"269293"	1181.632402	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+Cl"	34.969402
"662083"	1754.963902	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+Cl"	34.969402
"1279955"	608.300902	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Cl"	34.969402
"18138"	1183.611606	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M-2H+K"	36.948606
"467540"	1756.943106	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M-2H+K"	36.948606
"842061"	610.280106	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-2H+K"	36.948606
"1562268"	610.280106	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+K-2H"	36.948606
"944683"	618.329694	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-H+HCOOH"	44.998194
"365083"	1191.661201	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+HCOOH-H"	44.998201
"348966"	1205.676851	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+Hac-H"	59.013851
"1494518"	632.345351	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Hac-H"	59.013851
"960967"	640.311651	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-H+NaCOOH"	66.980151
"110968"	608.300902	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+2Cl"	69.938804
"550527"	894.966652	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+2Cl"	69.938804
"1022973"	321.635152	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2Cl"	69.938804
"1244377"	652.250385	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Br"	78.918885
"1307550"	654.306372	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Cl+HCOOH"	80.974872
"1322135"	676.288329	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Cl+NaCOOH"	102.956829
"916476"	686.317086	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M-H+CF3COOH"	112.985586
"1301574"	722.293764	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Cl+CF3COOH"	148.962264
"1380706"	538.318824	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H-2H2O"	-35.012676
"1396868"	556.3288	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H-H2O"	-17.0027
"293999"	1147.670276	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+H"	1.007276
"685329"	1721.001776	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+H"	1.007276
"1357303"	574.338776	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H"	1.007276
"129095"	574.338776	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+2H"	2.014552
"569387"	861.004526	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+2H"	2.014552
"1038910"	287.673026	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2H"	2.014552
"207174"	383.228276	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+3H"	3.021828
"645646"	574.338776	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+3H"	3.021828
"1168516"	192.117776	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+3H"	3.021828
"432885"	1164.696823	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+NH4"	18.033823
"794975"	1738.028323	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+NH4"	18.033823
"1690213"	591.365323	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+NH4"	18.033823
"335210"	582.8520495	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+H+NH4"	19.041099
"730914"	869.5177995	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+H+NH4"	19.041099
"1483640"	296.1862995	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H+NH4"	19.041099
"399040"	1169.652218	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+Na"	22.989218
"765504"	1742.983718	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+Na"	22.989218
"1611414"	596.320718	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Na"	22.989218
"323640"	585.329747	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+H+Na"	23.996494
"718249"	871.995497	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+H+Na"	23.996494
"1470975"	298.663997	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H+Na"	23.996494
"1063127"	199.44509	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2H+Na"	25.00377
"1263713"	606.364986	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+CH3OH+H"	33.033486
"380102"	1185.626158	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+K"	38.963158
"739756"	1758.957658	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+K"	38.963158
"1548611"	612.294658	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+K"	38.963158
"299714"	593.316717	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+H+K"	39.970434
"693106"	879.982467	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+H+K"	39.970434
"1448019"	306.650967	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H+K"	39.970434
"236622"	1188.696826	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+ACN+H"	42.033826
"1212008"	615.365326	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+ACN+H"	42.033826
"1196498"	308.186301	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+ACN+2H"	43.041102
"189484"	1191.63416	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+2Na-H"	44.97116
"630385"	1764.96566	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+2Na-H"	44.97116
"1137543"	618.30266	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2Na-H"	44.97116
"176821"	596.320718	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+2Na"	45.978436
"621487"	882.986468	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+2Na"	45.978436
"1119889"	309.654968	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2Na"	45.978436
"1403048"	206.772404	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H+2Na"	46.985712
"1443914"	620.344246	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H+HCOOH"	47.012746
"229235"	601.35374	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+3H2O+2H"	56.04448
"1522765"	634.39629	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+IsoProp+H"	61.06479
"421728"	604.307688	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+Na+K"	61.952376
"777984"	890.973438	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+Na+K"	61.952376
"1673223"	317.641938	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Na+K"	61.952376
"260472"	1210.678768	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+ACN+Na"	64.015768
"1235367"	637.347268	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+ACN+Na"	64.015768
"1719516"	637.370793	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+NH4+HCOOH"	64.039293
"1184504"	214.099718	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+3Na"	68.967654
"1654762"	642.326188	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Na+HCOOH"	68.994688
"159802"	1223.58204	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+2K-H"	76.91904
"598880"	1796.91354	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+2K-H"	76.91904
"1086431"	650.25054	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2K-H"	76.91904
"146529"	612.294658	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"2M+2K"	77.926316
"591925"	898.960408	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"3M+2K"	77.926316
"1080812"	325.628908	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2K"	77.926316
"1107095"	652.265092	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2K+H"	78.933592
"1347490"	652.352707	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+DMSO+H"	79.021207
"1017113"	656.391876	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2ACN+H"	83.060376
"1537673"	657.385508	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+IsoProp+Na+H"	84.054008
"1000962"	328.699576	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+2ACN+2H"	84.067652
"1590001"	658.300128	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+K+HCOOH"	84.968628
"1415658"	688.331638	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+H+CF3COOH"	115.000138
"1153603"	349.212851	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+3ACN+2H"	125.094202
"1710807"	705.358185	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+NH4+CF3COOH"	132.026685
"1646456"	710.31358	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+Na+CF3COOH"	136.98208
"1573359"	726.28752	"C09997"	"Amphibine A"	"C33H43N5O4"	"573.3315"	"M+K+CF3COOH"	152.95602
"805917"	665.3577	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M"	0
"977262"	646.33931	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-H2O-H"	-19.01839
"68785"	442.564524	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M-3H"	-3.021828
"506159"	664.350424	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M-3H"	-3.021828
"895384"	220.778624	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-3H"	-3.021828
"10920"	664.350424	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M-2H"	-2.014552
"448658"	997.029274	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M-2H"	-2.014552
"820991"	331.671574	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-2H"	-2.014552
"85358"	1329.708124	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M-H"	-1.007276
"529290"	1995.065824	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M-H"	-1.007276
"907091"	664.350424	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-H"	-1.007276
"60738"	1346.734671	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M-2H+NH4"	16.019271
"497746"	2012.092371	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M-2H+NH4"	16.019271
"874455"	681.376971	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-2H+NH4"	16.019271
"42356"	1351.690066	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M-2H+Na"	20.974666
"481920"	2017.047766	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M-2H+Na"	20.974666
"857534"	686.332366	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-2H+Na"	20.974666
"1632539"	686.332366	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Na-2H"	20.974666
"107610"	682.338763	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M-H+Cl"	33.962126
"544254"	1015.017613	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M-H+Cl"	33.962126
"935582"	349.659913	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-H+Cl"	33.962126
"271956"	1365.684802	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+Cl"	34.969402
"661461"	2031.042502	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+Cl"	34.969402
"1274962"	700.327102	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Cl"	34.969402
"20435"	1367.664006	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M-2H+K"	36.948606
"462183"	2033.021706	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M-2H+K"	36.948606
"842171"	702.306306	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-2H+K"	36.948606
"1562378"	702.306306	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+K-2H"	36.948606
"946980"	710.355894	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-H+HCOOH"	44.998194
"367381"	1375.713601	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+HCOOH-H"	44.998201
"354545"	1389.729251	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+Hac-H"	59.013851
"1499004"	724.371551	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Hac-H"	59.013851
"959496"	732.337851	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-H+NaCOOH"	66.980151
"111444"	700.327102	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+2Cl"	69.938804
"552099"	1033.005952	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+2Cl"	69.938804
"1022110"	367.648252	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2Cl"	69.938804
"1244487"	744.276585	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Br"	78.918885
"1308025"	746.332572	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Cl+HCOOH"	80.974872
"1330993"	768.314529	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Cl+NaCOOH"	102.956829
"923146"	778.343286	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M-H+CF3COOH"	112.985586
"1302412"	814.319964	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Cl+CF3COOH"	148.962264
"1380210"	630.345024	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H-2H2O"	-35.012676
"1394425"	648.355	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H-H2O"	-17.0027
"294110"	1331.722676	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+H"	1.007276
"683254"	1997.080376	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+H"	1.007276
"1357414"	666.364976	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H"	1.007276
"129205"	666.364976	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+2H"	2.014552
"566942"	999.043826	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+2H"	2.014552
"1038656"	333.686126	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2H"	2.014552
"207284"	444.579076	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+3H"	3.021828
"646120"	666.364976	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+3H"	3.021828
"1166801"	222.793176	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+3H"	3.021828
"434089"	1348.749223	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+NH4"	18.033823
"796178"	2014.106923	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+NH4"	18.033823
"1691416"	683.391523	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+NH4"	18.033823
"336413"	674.8782495	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+H+NH4"	19.041099
"731024"	1007.5570995	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+H+NH4"	19.041099
"1483750"	342.1993995	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H+NH4"	19.041099
"396963"	1353.704618	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+Na"	22.989218
"763427"	2019.062318	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+Na"	22.989218
"1608244"	688.346918	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Na"	22.989218
"323750"	677.355947	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+H+Na"	23.996494
"716172"	1010.034797	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+H+Na"	23.996494
"1468898"	344.677097	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H+Na"	23.996494
"1061050"	230.12049	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2H+Na"	25.00377
"1263823"	698.391186	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+CH3OH+H"	33.033486
"386772"	1369.678558	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+K"	38.963158
"741205"	2035.036258	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+K"	38.963158
"1550907"	704.320858	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+K"	38.963158
"302620"	685.342917	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+H+K"	39.970434
"696133"	1018.021767	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+H+K"	39.970434
"1448859"	352.664067	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H+K"	39.970434
"238194"	1372.749226	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+ACN+H"	42.033826
"1212363"	707.391526	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+ACN+H"	42.033826
"1197336"	354.199401	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+ACN+2H"	43.041102
"189231"	1375.68656	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+2Na-H"	44.97116
"629766"	2041.04426	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+2Na-H"	44.97116
"1131638"	710.32886	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2Na-H"	44.97116
"176564"	688.346918	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+2Na"	45.978436
"616489"	1021.025768	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+2Na"	45.978436
"1121456"	355.668068	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2Na"	45.978436
"1401336"	237.447804	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H+2Na"	46.985712
"1436369"	712.370446	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H+HCOOH"	47.012746
"229345"	693.37994	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+3H2O+2H"	56.04448
"1519596"	726.42249	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+IsoProp+H"	61.06479
"423417"	696.333888	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+Na+K"	61.952376
"780282"	1029.012738	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+Na+K"	61.952376
"1676613"	363.655038	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Na+K"	61.952376
"264227"	1394.731168	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+ACN+Na"	64.015768
"1236936"	729.373468	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+ACN+Na"	64.015768
"1720355"	729.396993	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+NH4+HCOOH"	64.039293
"1188988"	244.775118	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+3Na"	68.967654
"1655236"	734.352388	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Na+HCOOH"	68.994688
"165745"	1407.63444	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+2K-H"	76.91904
"598748"	2072.99214	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+2K-H"	76.91904
"1092008"	742.27674	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2K-H"	76.91904
"147732"	704.320858	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"2M+2K"	77.926316
"593128"	1036.999708	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"3M+2K"	77.926316
"1080922"	371.642008	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2K"	77.926316
"1107205"	744.291292	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2K+H"	78.933592
"1347236"	744.378907	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+DMSO+H"	79.021207
"1016130"	748.418076	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2ACN+H"	83.060376
"1535717"	749.411708	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+IsoProp+Na+H"	84.054008
"999979"	374.712676	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+2ACN+2H"	84.067652
"1594483"	750.326328	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+K+HCOOH"	84.968628
"1423423"	780.357838	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+H+CF3COOH"	115.000138
"1152620"	395.225951	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+3ACN+2H"	125.094202
"1706543"	797.384385	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+NH4+CF3COOH"	132.026685
"1646566"	802.33978	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+Na+CF3COOH"	136.98208
"1574563"	818.31372	"C09998"	"Amphibine B"	"C39H47N5O5"	"665.3577"	"M+K+CF3COOH"	152.95602
"806027"	582.2842	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M"	0
"977372"	563.26581	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-H2O-H"	-19.01839
"72175"	387.182190666667	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M-3H"	-3.021828
"503106"	581.276924	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M-3H"	-3.021828
"892820"	193.087457333333	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-3H"	-3.021828
"11394"	581.276924	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M-2H"	-2.014552
"448768"	872.419024	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M-2H"	-2.014552
"822194"	290.134824	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-2H"	-2.014552
"85468"	1163.561124	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M-H"	-1.007276
"529400"	1745.845324	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M-H"	-1.007276
"906108"	581.276924	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-H"	-1.007276
"59390"	1180.587671	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M-2H+NH4"	16.019271
"494577"	1762.871871	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M-2H+NH4"	16.019271
"874566"	598.303471	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-2H+NH4"	16.019271
"41374"	1185.543066	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M-2H+Na"	20.974666
"483124"	1767.827266	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M-2H+Na"	20.974666
"856551"	603.258866	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-2H+Na"	20.974666
"1627180"	603.258866	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Na-2H"	20.974666
"103710"	599.265263	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M-H+Cl"	33.962126
"541084"	890.407363	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M-H+Cl"	33.962126
"935692"	308.123163	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-H+Cl"	33.962126
"268784"	1199.537802	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+Cl"	34.969402
"660720"	1781.822002	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+Cl"	34.969402
"1273730"	617.253602	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Cl"	34.969402
"16531"	1201.517006	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M-2H+K"	36.948606
"462293"	1783.801206	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M-2H+K"	36.948606
"839001"	619.232806	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-2H+K"	36.948606
"1562488"	619.232806	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+K-2H"	36.948606
"945996"	627.282394	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-H+HCOOH"	44.998194
"367491"	1209.566601	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+HCOOH-H"	44.998201
"354655"	1223.582251	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+Hac-H"	59.013851
"1499114"	641.298051	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Hac-H"	59.013851
"962282"	649.264351	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-H+NaCOOH"	66.980151
"114470"	617.253602	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+2Cl"	69.938804
"551845"	908.395702	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+2Cl"	69.938804
"1023193"	326.111502	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2Cl"	69.938804
"1244961"	661.203085	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Br"	78.918885
"1307405"	663.259072	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Cl+HCOOH"	80.974872
"1327823"	685.241029	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Cl+NaCOOH"	102.956829
"923986"	695.269786	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M-H+CF3COOH"	112.985586
"1301065"	731.246464	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Cl+CF3COOH"	148.962264
"1375946"	547.271524	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H-2H2O"	-35.012676
"1395264"	565.2815	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H-H2O"	-17.0027
"294221"	1165.575676	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+H"	1.007276
"683363"	1747.859876	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+H"	1.007276
"1357524"	583.291476	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H"	1.007276
"129315"	583.291476	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+2H"	2.014552
"568876"	874.433576	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+2H"	2.014552
"1039132"	292.149376	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2H"	2.014552
"207394"	389.196742666667	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+3H"	3.021828
"646230"	583.291476	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+3H"	3.021828
"1166910"	195.102009333333	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+3H"	3.021828
"433105"	1182.602223	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+NH4"	18.033823
"799936"	1764.886423	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+NH4"	18.033823
"1695902"	600.318023	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+NH4"	18.033823
"336523"	591.8047495	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+H+NH4"	19.041099
"732227"	882.9468495	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+H+NH4"	19.041099
"1482766"	300.6626495	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H+NH4"	19.041099
"402541"	1187.557618	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+Na"	22.989218
"761349"	1769.841818	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+Na"	22.989218
"1609446"	605.273418	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Na"	22.989218
"322767"	594.282447	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+H+Na"	23.996494
"715189"	885.424547	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+H+Na"	23.996494
"1469009"	303.140347	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H+Na"	23.996494
"1063348"	202.429323333333	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2H+Na"	25.00377
"1266120"	615.317686	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+CH3OH+H"	33.033486
"389069"	1203.531558	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+K"	38.963158
"743503"	1785.815758	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+K"	38.963158
"1547737"	621.247358	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+K"	38.963158
"304918"	602.269417	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+H+K"	39.970434
"694058"	893.411517	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+H+K"	39.970434
"1447149"	311.127317	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H+K"	39.970434
"239764"	1206.602226	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+ACN+H"	42.033826
"1214661"	624.318026	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+ACN+H"	42.033826
"1197082"	312.662651	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+ACN+2H"	43.041102
"192871"	1209.53956	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+2Na-H"	44.97116
"634255"	1791.82376	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+2Na-H"	44.97116
"1135570"	627.25536	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2Na-H"	44.97116
"178864"	605.273418	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+2Na"	45.978436
"616600"	896.415518	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+2Na"	45.978436
"1120109"	314.131318	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2Na"	45.978436
"1401082"	209.756637333333	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H+2Na"	46.985712
"1435384"	629.296946	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H+HCOOH"	47.012746
"229455"	610.30644	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+3H2O+2H"	56.04448
"1523233"	643.34899	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+IsoProp+H"	61.06479
"421581"	613.260388	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+Na+K"	61.952376
"782578"	904.402488	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+Na+K"	61.952376
"1673442"	322.118288	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Na+K"	61.952376
"256682"	1228.584168	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+ACN+Na"	64.015768
"1237047"	646.299968	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+ACN+Na"	64.015768
"1722651"	646.323493	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+NH4+HCOOH"	64.039293
"1185821"	217.083951333333	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+3Na"	68.967654
"1656806"	651.278888	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Na+HCOOH"	68.994688
"164762"	1241.48744	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+2K-H"	76.91904
"598858"	1823.77164	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+2K-H"	76.91904
"1088838"	659.20324	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2K-H"	76.91904
"146749"	621.247358	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"2M+2K"	77.926316
"592874"	912.389458	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"3M+2K"	77.926316
"1081396"	330.105258	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2K"	77.926316
"1107315"	661.217792	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2K+H"	78.933592
"1349899"	661.305407	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+DMSO+H"	79.021207
"1016605"	665.344576	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2ACN+H"	83.060376
"1535826"	666.338208	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+IsoProp+Na+H"	84.054008
"997901"	333.175926	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+2ACN+2H"	84.067652
"1593500"	667.252828	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+K+HCOOH"	84.968628
"1424626"	697.284338	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+H+CF3COOH"	115.000138
"1154916"	353.689201	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+3ACN+2H"	125.094202
"1703373"	714.310885	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+NH4+CF3COOH"	132.026685
"1648500"	719.26628	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+Na+CF3COOH"	136.98208
"1575767"	735.24022	"C09999"	"Aralionine A"	"C34H38N4O5"	"582.2842"	"M+K+CF3COOH"	152.95602
"816676"	552.2737	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M"	0
"988786"	533.25531	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-H2O-H"	-19.01839
"77395"	367.175190666667	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M-3H"	-3.021828
"517198"	551.266424	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M-3H"	-3.021828
"888561"	183.083957333333	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-3H"	-3.021828
"12603"	551.266424	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M-2H"	-2.014552
"453255"	827.403274	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M-2H"	-2.014552
"831057"	275.129574	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-2H"	-2.014552
"93724"	1103.540124	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M-H"	-1.007276
"532797"	1655.813824	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M-H"	-1.007276
"910802"	551.266424	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-H"	-1.007276
"61942"	1120.566671	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M-2H+NH4"	16.019271
"501498"	1672.840371	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M-2H+NH4"	16.019271
"879306"	568.292971	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-2H+NH4"	16.019271
"45625"	1125.522066	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M-2H+Na"	20.974666
"481051"	1677.795766	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M-2H+Na"	20.974666
"859944"	573.248366	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-2H+Na"	20.974666
"1628388"	573.248366	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Na-2H"	20.974666
"102731"	569.254763	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M-H+Cl"	33.962126
"541200"	845.391613	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M-H+Cl"	33.962126
"935807"	293.117913	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-H+Cl"	33.962126
"276554"	1139.516802	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+Cl"	34.969402
"667883"	1691.790502	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+Cl"	34.969402
"1286485"	587.243102	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Cl"	34.969402
"27948"	1141.496006	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M-2H+K"	36.948606
"470060"	1693.769706	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M-2H+K"	36.948606
"842394"	589.222306	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-2H+K"	36.948606
"1570256"	589.222306	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+K-2H"	36.948606
"954860"	597.271894	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-H+HCOOH"	44.998194
"374899"	1149.545601	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+HCOOH-H"	44.998201
"359512"	1163.561251	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+Hac-H"	59.013851
"1504696"	611.287551	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Hac-H"	59.013851
"968956"	619.253851	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-H+NaCOOH"	66.980151
"117866"	587.243102	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+2Cl"	69.938804
"555238"	863.379952	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+2Cl"	69.938804
"1032787"	311.106252	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2Cl"	69.938804
"1253460"	631.192585	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Br"	78.918885
"1317001"	633.248572	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Cl+HCOOH"	80.974872
"1330124"	655.230529	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Cl+NaCOOH"	102.956829
"922278"	665.259286	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M-H+CF3COOH"	112.985586
"1301175"	701.235964	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Cl+CF3COOH"	148.962264
"1381892"	517.261024	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H-2H2O"	-35.012676
"1395740"	535.271	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H-H2O"	-17.0027
"296519"	1105.554676	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+H"	1.007276
"685662"	1657.828376	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+H"	1.007276
"1362011"	553.280976	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H"	1.007276
"129795"	553.280976	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+2H"	2.014552
"566591"	829.417826	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+2H"	2.014552
"1040701"	277.144126	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2H"	2.014552
"206415"	369.189742666667	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+3H"	3.021828
"647071"	553.280976	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+3H"	3.021828
"1176751"	185.098509333333	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+3H"	3.021828
"437957"	1122.581223	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+NH4"	18.033823
"795306"	1674.854923	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+NH4"	18.033823
"1691636"	570.307523	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+NH4"	18.033823
"336636"	561.7942495	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+H+NH4"	19.041099
"727961"	837.9310995	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+H+NH4"	19.041099
"1491877"	285.6573995	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H+NH4"	19.041099
"404840"	1127.536618	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+Na"	22.989218
"758180"	1679.810318	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+Na"	22.989218
"1615028"	575.262918	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Na"	22.989218
"328962"	564.271947	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+H+Na"	23.996494
"721500"	840.408797	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+H+Na"	23.996494
"1473132"	288.135097	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H+Na"	23.996494
"1059085"	192.425823333333	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2H+Na"	25.00377
"1264044"	585.307186	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+CH3OH+H"	33.033486
"386992"	1143.510558	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+K"	38.963158
"744705"	1695.784258	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+K"	38.963158
"1542386"	591.236858	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+K"	38.963158
"302845"	572.258917	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+H+K"	39.970434
"701830"	848.395767	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+H+K"	39.970434
"1461263"	296.122067	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H+K"	39.970434
"250332"	1146.581226	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+ACN+H"	42.033826
"1220244"	594.307526	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+ACN+H"	42.033826
"1209605"	297.657401	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+ACN+2H"	43.041102
"203197"	1149.51856	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+2Na-H"	44.97116
"642757"	1701.79226	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+2Na-H"	44.97116
"1144075"	597.24486	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2Na-H"	44.97116
"185909"	575.262918	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+2Na"	45.978436
"626198"	851.399768	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+2Na"	45.978436
"1128610"	299.126068	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2Na"	45.978436
"1411406"	199.753137333333	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H+2Na"	46.985712
"1439875"	599.286446	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H+HCOOH"	47.012746
"231397"	580.29594	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+3H2O+2H"	56.04448
"1516540"	613.33849	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+IsoProp+H"	61.06479
"415135"	583.249888	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+Na+K"	61.952376
"781234"	859.386738	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+Na+K"	61.952376
"1673551"	307.113038	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Na+K"	61.952376
"256791"	1168.563168	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+ACN+Na"	64.015768
"1230958"	616.289468	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+ACN+Na"	64.015768
"1716927"	616.312993	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+NH4+HCOOH"	64.039293
"1184833"	207.080451333333	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+3Na"	68.967654
"1651812"	621.268388	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Na+HCOOH"	68.994688
"158675"	1181.46644	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+2K-H"	76.91904
"605531"	1733.74014	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+2K-H"	76.91904
"1092230"	629.19274	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2K-H"	76.91904
"157037"	591.236858	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"2M+2K"	77.926316
"592989"	867.373708	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"3M+2K"	77.926316
"1076409"	315.100008	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2K"	77.926316
"1114722"	631.207292	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2K+H"	78.933592
"1349284"	631.294907	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+DMSO+H"	79.021207
"1018904"	635.334076	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2ACN+H"	83.060376
"1537030"	636.327708	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+IsoProp+Na+H"	84.054008
"995826"	318.170676	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+2ACN+2H"	84.067652
"1595797"	637.242328	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+K+HCOOH"	84.968628
"1425831"	667.273838	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+H+CF3COOH"	115.000138
"1158306"	338.683951	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+3ACN+2H"	125.094202
"1710043"	684.300385	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+NH4+CF3COOH"	132.026685
"1648975"	689.25578	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+Na+CF3COOH"	136.98208
"1576970"	705.22972	"C10000"	"Canthiumine"	"C33H36N4O4"	"552.2737"	"M+K+CF3COOH"	152.95602
"806247"	504.2737	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M"	0
"978685"	485.25531	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-H2O-H"	-19.01839
"69115"	335.175190666667	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M-3H"	-3.021828
"504302"	503.266424	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M-3H"	-3.021828
"890853"	167.083957333333	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-3H"	-3.021828
"15022"	503.266424	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M-2H"	-2.014552
"454823"	755.403274	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M-2H"	-2.014552
"832140"	251.129574	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-2H"	-2.014552
"93956"	1007.540124	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M-H"	-1.007276
"530720"	1511.813824	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M-H"	-1.007276
"910101"	503.266424	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-H"	-1.007276
"62173"	1024.566671	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M-2H+NH4"	16.019271
"501124"	1528.840371	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M-2H+NH4"	16.019271
"879503"	520.292971	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-2H+NH4"	16.019271
"45490"	1029.522066	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M-2H+Na"	20.974666
"481161"	1533.795766	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M-2H+Na"	20.974666
"858961"	525.248366	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-2H+Na"	20.974666
"1623030"	525.248366	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Na-2H"	20.974666
"102841"	521.254763	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M-H+Cl"	33.962126
"543495"	773.391613	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M-H+Cl"	33.962126
"938104"	269.117913	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-H+Cl"	33.962126
"273384"	1043.516802	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+Cl"	34.969402
"664713"	1547.790502	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+Cl"	34.969402
"1280396"	539.243102	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Cl"	34.969402
"24047"	1045.496006	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M-2H+K"	36.948606
"470780"	1549.769706	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M-2H+K"	36.948606
"841411"	541.222306	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-2H+K"	36.948606
"1569273"	541.222306	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+K-2H"	36.948606
"954970"	549.271894	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-H+HCOOH"	44.998194
"372091"	1053.545601	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+HCOOH-H"	44.998201
"359258"	1067.561251	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+Hac-H"	59.013851
"1505536"	563.287551	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Hac-H"	59.013851
"969066"	571.253851	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-H+NaCOOH"	66.980151
"117975"	539.243102	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+2Cl"	69.938804
"555348"	791.379952	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+2Cl"	69.938804
"1035083"	287.106252	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2Cl"	69.938804
"1253569"	583.192585	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Br"	78.918885
"1316017"	585.248572	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Cl+HCOOH"	80.974872
"1332421"	607.230529	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Cl+NaCOOH"	102.956829
"922388"	617.259286	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M-H+CF3COOH"	112.985586
"1299098"	653.235964	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Cl+CF3COOH"	148.962264
"1382558"	469.261024	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H-2H2O"	-35.012676
"1395123"	487.271	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H-H2O"	-17.0027
"294443"	1009.554676	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+H"	1.007276
"687958"	1513.828376	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+H"	1.007276
"1364307"	505.280976	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H"	1.007276
"132821"	505.280976	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+2H"	2.014552
"568000"	757.417826	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+2H"	2.014552
"1041903"	253.144126	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2H"	2.014552
"207253"	337.189742666667	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+3H"	3.021828
"649004"	505.280976	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+3H"	3.021828
"1175768"	169.098509333333	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+3H"	3.021828
"436973"	1026.581223	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+NH4"	18.033823
"795416"	1530.854923	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+NH4"	18.033823
"1693931"	522.307523	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+NH4"	18.033823
"336746"	513.7942495	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+H+NH4"	19.041099
"729164"	765.9310995	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+H+NH4"	19.041099
"1489918"	261.6573995	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H+NH4"	19.041099
"396202"	1031.536618	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+Na"	22.989218
"757197"	1535.810318	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+Na"	22.989218
"1611857"	527.262918	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Na"	22.989218
"327005"	516.271947	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+H+Na"	23.996494
"720155"	768.408797	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+H+Na"	23.996494
"1472878"	264.135097	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H+Na"	23.996494
"1061382"	176.425823333333	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2H+Na"	25.00377
"1264154"	537.307186	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+CH3OH+H"	33.033486
"384915"	1047.510558	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+K"	38.963158
"742629"	1551.784258	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+K"	38.963158
"1541403"	543.236858	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+K"	38.963158
"300039"	524.258917	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+H+K"	39.970434
"701940"	776.395767	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+H+K"	39.970434
"1459775"	272.122067	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H+K"	39.970434
"250442"	1050.581226	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+ACN+H"	42.033826
"1220354"	546.307526	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+ACN+H"	42.033826
"1205331"	273.657401	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+ACN+2H"	43.041102
"197108"	1053.51856	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+2Na-H"	44.97116
"640315"	1557.79226	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+2Na-H"	44.97116
"1142360"	549.24486	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2Na-H"	44.97116
"184557"	527.262918	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+2Na"	45.978436
"624116"	779.399768	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+2Na"	45.978436
"1129571"	275.126068	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2Na"	45.978436
"1410056"	183.753137333333	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H+2Na"	46.985712
"1443753"	551.286446	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H+HCOOH"	47.012746
"231871"	532.29594	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+3H2O+2H"	56.04448
"1515557"	565.33849	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+IsoProp+H"	61.06479
"413058"	535.249888	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+Na+K"	61.952376
"779522"	787.386738	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+Na+K"	61.952376
"1671476"	283.113038	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Na+K"	61.952376
"257263"	1072.563168	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+ACN+Na"	64.015768
"1230703"	568.289468	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+ACN+Na"	64.015768
"1717766"	568.312993	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+NH4+HCOOH"	64.039293
"1184214"	191.080451333333	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+3Na"	68.967654
"1653015"	573.268388	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Na+HCOOH"	68.994688
"158788"	1085.46644	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+2K-H"	76.91904
"604548"	1589.74014	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+2K-H"	76.91904
"1089061"	581.19274	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2K-H"	76.91904
"156782"	543.236858	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"2M+2K"	77.926316
"593830"	795.373708	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"3M+2K"	77.926316
"1082837"	291.100008	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2K"	77.926316
"1114713"	583.207292	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2K+H"	78.933592
"1351095"	583.294907	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+DMSO+H"	79.021207
"1019014"	587.334076	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2ACN+H"	83.060376
"1539450"	588.327708	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+IsoProp+Na+H"	84.054008
"1002495"	294.170676	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+2ACN+2H"	84.067652
"1597000"	589.242328	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+K+HCOOH"	84.968628
"1425939"	619.273838	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+H+CF3COOH"	115.000138
"1158416"	314.683951	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+3ACN+2H"	125.094202
"1711855"	636.300385	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+NH4+CF3COOH"	132.026685
"1649085"	641.25578	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+Na+CF3COOH"	136.98208
"1577080"	657.22972	"C10001"	"Ceanothine B"	"C29H36N4O4"	"504.2737"	"M+K+CF3COOH"	152.95602
"811827"	568.305	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M"	0
"985358"	549.28661	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-H2O-H"	-19.01839
"69225"	377.862724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M-3H"	-3.021828
"513161"	567.297724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M-3H"	-3.021828
"894245"	188.427724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-3H"	-3.021828
"15495"	567.297724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M-2H"	-2.014552
"454202"	851.450224	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M-2H"	-2.014552
"829087"	283.145224	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-2H"	-2.014552
"93576"	1135.602724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M-H"	-1.007276
"532527"	1703.907724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M-H"	-1.007276
"910331"	567.297724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-H"	-1.007276
"62160"	1152.629271	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M-2H+NH4"	16.019271
"502414"	1720.934271	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M-2H+NH4"	16.019271
"875994"	584.324271	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-2H+NH4"	16.019271
"42801"	1157.584666	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M-2H+Na"	20.974666
"483460"	1725.889666	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M-2H+Na"	20.974666
"853607"	589.279666	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-2H+Na"	20.974666
"1621681"	589.279666	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Na-2H"	20.974666
"99672"	585.286063	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M-H+Cl"	33.962126
"539232"	869.438563	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M-H+Cl"	33.962126
"934935"	301.133563	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-H+Cl"	33.962126
"270578"	1171.579402	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+Cl"	34.969402
"668105"	1739.884402	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+Cl"	34.969402
"1279415"	603.274402	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Cl"	34.969402
"23065"	1173.558606	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M-2H+K"	36.948606
"466999"	1741.863606	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M-2H+K"	36.948606
"840428"	605.253606	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-2H+K"	36.948606
"1568291"	605.253606	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+K-2H"	36.948606
"953987"	613.303194	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-H+HCOOH"	44.998194
"372931"	1181.608201	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+HCOOH-H"	44.998201
"357178"	1195.623851	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+Hac-H"	59.013851
"1504915"	627.318851	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Hac-H"	59.013851
"970269"	635.285151	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-H+NaCOOH"	66.980151
"118085"	603.274402	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+2Cl"	69.938804
"556551"	887.426902	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+2Cl"	69.938804
"1034100"	319.121902	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2Cl"	69.938804
"1252586"	647.223885	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Br"	78.918885
"1317952"	649.279872	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Cl+HCOOH"	80.974872
"1333264"	671.261829	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Cl+NaCOOH"	102.956829
"922499"	681.290586	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M-H+CF3COOH"	112.985586
"1302125"	717.267264	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Cl+CF3COOH"	148.962264
"1380653"	533.292324	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H-2H2O"	-35.012676
"1395959"	551.3023	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H-H2O"	-17.0027
"294551"	1137.617276	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+H"	1.007276
"688067"	1705.922276	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+H"	1.007276
"1360041"	569.312276	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H"	1.007276
"127828"	569.312276	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+2H"	2.014552
"569211"	853.464776	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+2H"	2.014552
"1041653"	285.159776	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2H"	2.014552
"206637"	379.877276	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+3H"	3.021828
"657876"	569.312276	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+3H"	3.021828
"1177580"	190.442276	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+3H"	3.021828
"438544"	1154.643823	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+NH4"	18.033823
"796618"	1722.948823	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+NH4"	18.033823
"1691855"	586.338823	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+NH4"	18.033823
"336857"	577.8255495	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+H+NH4"	19.041099
"729279"	861.9780495	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+H+NH4"	19.041099
"1490757"	293.6730495	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H+NH4"	19.041099
"398499"	1159.599218	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+Na"	22.989218
"764965"	1727.904218	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+Na"	22.989218
"1616718"	591.294218	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Na"	22.989218
"326021"	580.303247	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+H+Na"	23.996494
"720994"	864.455747	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+H+Na"	23.996494
"1471527"	296.150747	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H+Na"	23.996494
"1062586"	197.76959	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2H+Na"	25.00377
"1267544"	601.338486	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+CH3OH+H"	33.033486
"387943"	1175.573158	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+K"	38.963158
"744931"	1743.878158	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+K"	38.963158
"1543701"	607.268158	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+K"	38.963158
"300511"	588.290217	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+H+K"	39.970434
"700957"	872.442717	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+H+K"	39.970434
"1460862"	304.137717	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H+K"	39.970434
"249579"	1178.643826	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+ACN+H"	42.033826
"1219370"	610.338826	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+ACN+H"	42.033826
"1204346"	305.673051	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+ACN+2H"	43.041102
"201471"	1181.58116	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+2Na-H"	44.97116
"640786"	1749.88616	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+2Na-H"	44.97116
"1145389"	613.27616	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2Na-H"	44.97116
"182478"	591.294218	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+2Na"	45.978436
"625686"	875.446718	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+2Na"	45.978436
"1128828"	307.141718	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2Na"	45.978436
"1410163"	205.096904	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H+2Na"	46.985712
"1444958"	615.317746	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H+HCOOH"	47.012746
"228698"	596.32724	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+3H2O+2H"	56.04448
"1517853"	629.36979	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+IsoProp+H"	61.06479
"416446"	599.281188	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+Na+K"	61.952376
"776350"	883.433688	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+Na+K"	61.952376
"1670491"	315.128688	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Na+K"	61.952376
"257009"	1200.625768	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+ACN+Na"	64.015768
"1230083"	632.320768	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+ACN+Na"	64.015768
"1718971"	632.344293	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+NH4+HCOOH"	64.039293
"1183230"	212.424218	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+3Na"	68.967654
"1653123"	637.299688	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Na+HCOOH"	68.994688
"164003"	1213.52904	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+2K-H"	76.91904
"605751"	1781.83404	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+2K-H"	76.91904
"1099141"	645.22404	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2K-H"	76.91904
"155597"	607.268158	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"2M+2K"	77.926316
"596373"	891.420658	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"3M+2K"	77.926316
"1082950"	323.115658	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2K"	77.926316
"1115276"	647.238592	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2K+H"	78.933592
"1350845"	647.326207	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+DMSO+H"	79.021207
"1020584"	651.365376	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2ACN+H"	83.060376
"1536156"	652.359008	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+IsoProp+Na+H"	84.054008
"1004429"	326.186326	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+2ACN+2H"	84.067652
"1601970"	653.273628	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+K+HCOOH"	84.968628
"1424955"	683.305138	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+H+CF3COOH"	115.000138
"1160711"	346.699601	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+3ACN+2H"	125.094202
"1706982"	700.331685	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+NH4+CF3COOH"	132.026685
"1641538"	705.28708	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+Na+CF3COOH"	136.98208
"1577190"	721.26102	"C10002"	"Crenatine A"	"C34H40N4O4"	"568.305"	"M+K+CF3COOH"	152.95602
"803549"	500.3363	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M"	0
"986561"	481.31791	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-H2O-H"	-19.01839
"72615"	332.550257333333	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M-3H"	-3.021828
"513271"	499.329024	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M-3H"	-3.021828
"894963"	165.771490666667	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-3H"	-3.021828
"15623"	499.329024	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M-2H"	-2.014552
"454191"	749.497174	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M-2H"	-2.014552
"829197"	249.160874	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-2H"	-2.014552
"91620"	999.665324	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M-H"	-1.007276
"532152"	1500.001624	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M-H"	-1.007276
"909957"	499.329024	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-H"	-1.007276
"62778"	1016.691871	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M-2H+NH4"	16.019271
"502566"	1517.028171	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M-2H+NH4"	16.019271
"876834"	516.355571	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-2H+NH4"	16.019271
"42911"	1021.647266	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M-2H+Na"	20.974666
"481382"	1521.983566	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M-2H+Na"	20.974666
"853718"	521.310966	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-2H+Na"	20.974666
"1622156"	521.310966	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Na-2H"	20.974666
"103064"	517.317363	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M-H+Cl"	33.962126
"540434"	767.485513	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M-H+Cl"	33.962126
"935045"	267.149213	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-H+Cl"	33.962126
"279075"	1035.642002	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+Cl"	34.969402
"667122"	1535.978302	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+Cl"	34.969402
"1283899"	535.305702	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Cl"	34.969402
"26457"	1037.621206	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M-2H+K"	36.948606
"468203"	1537.957506	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M-2H+K"	36.948606
"839445"	537.284906	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-2H+K"	36.948606
"1568766"	537.284906	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+K-2H"	36.948606
"954097"	545.334494	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-H+HCOOH"	44.998194
"374135"	1045.670801	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+HCOOH-H"	44.998201
"359477"	1059.686451	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+Hac-H"	59.013851
"1506118"	559.350151	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Hac-H"	59.013851
"970379"	567.316451	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-H+NaCOOH"	66.980151
"119288"	535.305702	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+2Cl"	69.938804
"556661"	785.473852	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+2Cl"	69.938804
"1034209"	285.137552	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2Cl"	69.938804
"1254883"	579.255185	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Br"	78.918885
"1317699"	581.311172	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Cl+HCOOH"	80.974872
"1333010"	603.293129	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Cl+NaCOOH"	102.956829
"920422"	613.321886	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M-H+CF3COOH"	112.985586
"1299318"	649.298564	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Cl+CF3COOH"	148.962264
"1380397"	465.323624	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H-2H2O"	-35.012676
"1388415"	483.3336	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H-H2O"	-17.0027
"293568"	1001.679876	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+H"	1.007276
"685989"	1502.016176	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+H"	1.007276
"1356869"	501.343576	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H"	1.007276
"128662"	501.343576	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+2H"	2.014552
"570049"	751.511726	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+2H"	2.014552
"1038845"	251.175426	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2H"	2.014552
"207841"	334.564809333333	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+3H"	3.021828
"659565"	501.343576	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+3H"	3.021828
"1177447"	167.786042666667	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+3H"	3.021828
"437196"	1018.706423	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+NH4"	18.033823
"794542"	1519.042723	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+NH4"	18.033823
"1690871"	518.370123	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+NH4"	18.033823
"336967"	509.8568495	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+H+NH4"	19.041099
"729389"	760.0249995	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+H+NH4"	19.041099
"1491958"	259.6886995	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H+NH4"	19.041099
"398609"	1023.661818	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+Na"	22.989218
"766167"	1523.998118	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+Na"	22.989218
"1617553"	523.325518	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Na"	22.989218
"328804"	512.334547	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+H+Na"	23.996494
"721466"	762.502697	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+H+Na"	23.996494
"1471637"	262.166397	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H+Na"	23.996494
"1062695"	175.113356666667	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2H+Na"	25.00377
"1268749"	533.369786	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+CH3OH+H"	33.033486
"386228"	1039.635758	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+K"	38.963158
"745041"	1539.972058	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+K"	38.963158
"1544902"	539.299458	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+K"	38.963158
"302079"	520.321517	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+H+K"	39.970434
"702160"	770.489667	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+H+K"	39.970434
"1460724"	270.153367	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H+K"	39.970434
"250052"	1042.706426	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+ACN+H"	42.033826
"1218386"	542.370126	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+ACN+H"	42.033826
"1203362"	271.688701	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+ACN+2H"	43.041102
"199514"	1045.64376	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+2Na-H"	44.97116
"640166"	1545.98006	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+2Na-H"	44.97116
"1145985"	545.30746	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2Na-H"	44.97116
"182588"	523.325518	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+2Na"	45.978436
"626524"	773.493668	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+2Na"	45.978436
"1130760"	273.157368	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2Na"	45.978436
"1410273"	182.440670666667	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H+2Na"	46.985712
"1444581"	547.349046	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H+HCOOH"	47.012746
"227713"	528.35854	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+3H2O+2H"	56.04448
"1517962"	561.40109	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+IsoProp+H"	61.06479
"417649"	531.312488	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+Na+K"	61.952376
"775364"	781.480638	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+Na+K"	61.952376
"1671697"	281.144338	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Na+K"	61.952376
"256391"	1064.688368	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+ACN+Na"	64.015768
"1227277"	564.352068	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+ACN+Na"	64.015768
"1717624"	564.375593	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+NH4+HCOOH"	64.039293
"1184071"	189.767984666667	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+3Na"	68.967654
"1653598"	569.330988	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Na+HCOOH"	68.994688
"167393"	1077.59164	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+2K-H"	76.91904
"605861"	1577.92794	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+2K-H"	76.91904
"1099009"	577.25534	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2K-H"	76.91904
"156557"	539.299458	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"2M+2K"	77.926316
"596969"	789.467608	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"3M+2K"	77.926316
"1084175"	289.131308	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2K"	77.926316
"1115428"	579.269892	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2K+H"	78.933592
"1351077"	579.357507	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+DMSO+H"	79.021207
"1021279"	583.396676	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2ACN+H"	83.060376
"1535173"	584.390308	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+IsoProp+Na+H"	84.054008
"1003807"	292.201976	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+2ACN+2H"	84.067652
"1601471"	585.304928	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+K+HCOOH"	84.968628
"1427252"	615.336438	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+H+CF3COOH"	115.000138
"1162038"	312.715251	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+3ACN+2H"	125.094202
"1707092"	632.362985	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+NH4+CF3COOH"	132.026685
"1644928"	637.31838	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+Na+CF3COOH"	136.98208
"1576207"	653.29232	"C10003"	"Frangulanine"	"C28H44N4O4"	"500.3363"	"M+K+CF3COOH"	152.95602
"803659"	674.3792	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M"	0
"983391"	655.36081	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-H2O-H"	-19.01839
"69445"	448.578857333333	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M-3H"	-3.021828
"510099"	673.371924	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M-3H"	-3.021828
"895473"	223.785790666667	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-3H"	-3.021828
"15105"	673.371924	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M-2H"	-2.014552
"454422"	1010.561524	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M-2H"	-2.014552
"830400"	336.182324	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-2H"	-2.014552
"90392"	1347.751124	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M-H"	-1.007276
"529952"	2022.130324	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M-H"	-1.007276
"910430"	673.371924	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-H"	-1.007276
"62458"	1364.777671	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M-2H+NH4"	16.019271
"501571"	2039.156871	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M-2H+NH4"	16.019271
"876214"	690.398471	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-2H+NH4"	16.019271
"41928"	1369.733066	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M-2H+Na"	20.974666
"481491"	2044.112266	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M-2H+Na"	20.974666
"858200"	695.353866	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-2H+Na"	20.974666
"1622266"	695.353866	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Na-2H"	20.974666
"105360"	691.360263	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M-H+Cl"	33.962126
"540544"	1028.549863	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M-H+Cl"	33.962126
"932968"	354.170663	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-H+Cl"	33.962126
"282224"	1383.727802	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+Cl"	34.969402
"673793"	2058.107002	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+Cl"	34.969402
"1287292"	709.348602	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Cl"	34.969402
"26567"	1385.707006	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M-2H+K"	36.948606
"467220"	2060.086206	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M-2H+K"	36.948606
"841742"	711.327806	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-2H+K"	36.948606
"1570293"	711.327806	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+K-2H"	36.948606
"956394"	719.377394	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-H+HCOOH"	44.998194
"375338"	1393.756601	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+HCOOH-H"	44.998201
"360680"	1407.772251	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+Hac-H"	59.013851
"1507851"	733.393051	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Hac-H"	59.013851
"970490"	741.359351	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-H+NaCOOH"	66.980151
"119398"	709.348602	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+2Cl"	69.938804
"556771"	1046.538202	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+2Cl"	69.938804
"1034319"	372.159002	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2Cl"	69.938804
"1254993"	753.298085	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Br"	78.918885
"1317444"	755.354072	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Cl+HCOOH"	80.974872
"1331662"	777.336029	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Cl+NaCOOH"	102.956829
"922719"	787.364786	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M-H+CF3COOH"	112.985586
"1299428"	823.341464	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Cl+CF3COOH"	148.962264
"1379414"	639.366524	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H-2H2O"	-35.012676
"1393993"	657.3765	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H-H2O"	-17.0027
"295502"	1349.765676	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+H"	1.007276
"689381"	2024.144876	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+H"	1.007276
"1358072"	675.386476	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H"	1.007276
"128043"	675.386476	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+2H"	2.014552
"567971"	1012.576076	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+2H"	2.014552
"1039438"	338.196876	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2H"	2.014552
"206004"	450.593409333333	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+3H"	3.021828
"658460"	675.386476	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+3H"	3.021828
"1177922"	225.800342666667	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+3H"	3.021828
"436577"	1366.792223	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+NH4"	18.033823
"800119"	2041.171423	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+NH4"	18.033823
"1692074"	692.413023	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+NH4"	18.033823
"334890"	683.8997495	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+H+NH4"	19.041099
"727309"	1021.0893495	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+H+NH4"	19.041099
"1485507"	346.7101495	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H+NH4"	19.041099
"395802"	1371.747618	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+Na"	22.989218
"764091"	2046.126818	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+Na"	22.989218
"1618290"	697.368418	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Na"	22.989218
"329278"	686.377447	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+H+Na"	23.996494
"721575"	1023.567047	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+H+Na"	23.996494
"1471383"	349.187847	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H+Na"	23.996494
"1061712"	233.127656666667	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2H+Na"	25.00377
"1268129"	707.412686	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+CH3OH+H"	33.033486
"386339"	1387.721558	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+K"	38.963158
"747337"	2062.100758	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+K"	38.963158
"1546105"	713.342358	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+K"	38.963158
"303282"	694.364417	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+H+K"	39.970434
"702270"	1031.554017	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+H+K"	39.970434
"1461037"	357.174817	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H+K"	39.970434
"250041"	1390.792226	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+ACN+H"	42.033826
"1217403"	716.413026	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+ACN+H"	42.033826
"1204565"	358.710151	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+ACN+2H"	43.041102
"201810"	1393.72956	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+2Na-H"	44.97116
"640276"	2068.10876	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+2Na-H"	44.97116
"1146868"	719.35036	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2Na-H"	44.97116
"188169"	697.368418	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+2Na"	45.978436
"628456"	1034.558018	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+2Na"	45.978436
"1131310"	360.178818	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2Na"	45.978436
"1411476"	240.454970666667	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H+2Na"	46.985712
"1443596"	721.391946	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H+HCOOH"	47.012746
"233292"	702.40144	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+3H2O+2H"	56.04448
"1520260"	735.44399	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+IsoProp+H"	61.06479
"419947"	705.355388	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+Na+K"	61.952376
"778753"	1042.544988	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+Na+K"	61.952376
"1671807"	368.165788	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Na+K"	61.952376
"255043"	1412.774168	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+ACN+Na"	64.015768
"1231035"	738.394968	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+ACN+Na"	64.015768
"1718827"	738.418493	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+NH4+HCOOH"	64.039293
"1185274"	247.782284666667	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+3Na"	68.967654
"1655167"	743.373888	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Na+HCOOH"	68.994688
"159355"	1425.67744	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+2K-H"	76.91904
"607064"	2100.05664	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+2K-H"	76.91904
"1098751"	751.29824	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2K-H"	76.91904
"156668"	713.342358	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"2M+2K"	77.926316
"596798"	1050.531958	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"3M+2K"	77.926316
"1083901"	376.152758	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2K"	77.926316
"1115172"	753.312792	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2K+H"	78.933592
"1350902"	753.400407	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+DMSO+H"	79.021207
"1020564"	757.439576	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2ACN+H"	83.060376
"1535283"	758.433208	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+IsoProp+Na+H"	84.054008
"1002824"	379.223426	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+2ACN+2H"	84.067652
"1600608"	759.347828	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+K+HCOOH"	84.968628
"1429186"	789.379338	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+H+CF3COOH"	115.000138
"1160932"	399.736701	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+3ACN+2H"	125.094202
"1707202"	806.405885	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+NH4+CF3COOH"	132.026685
"1645038"	811.36128	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+Na+CF3COOH"	136.98208
"1574130"	827.33522	"C10004"	"Hymenocardine"	"C37H50N6O6"	"674.3792"	"M+K+CF3COOH"	152.95602
"804498"	534.3206	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M"	0
"978033"	515.30221	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-H2O-H"	-19.01839
"66275"	355.206457333333	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M-3H"	-3.021828
"510210"	533.313324	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M-3H"	-3.021828
"894576"	177.099590666667	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-3H"	-3.021828
"14243"	533.313324	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M-2H"	-2.014552
"453803"	800.473624	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M-2H"	-2.014552
"830510"	266.153024	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-2H"	-2.014552
"91596"	1067.633924	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M-H"	-1.007276
"532493"	1601.954524	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M-H"	-1.007276
"910054"	533.313324	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-H"	-1.007276
"60055"	1084.660471	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M-2H+NH4"	16.019271
"498522"	1618.981071	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M-2H+NH4"	16.019271
"873044"	550.339871	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-2H+NH4"	16.019271
"42038"	1089.615866	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M-2H+Na"	20.974666
"481601"	1623.936466	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M-2H+Na"	20.974666
"856124"	555.295266	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-2H+Na"	20.974666
"1625658"	555.295266	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Na-2H"	20.974666
"102188"	551.301663	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M-H+Cl"	33.962126
"540652"	818.461963	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M-H+Cl"	33.962126
"934535"	284.141363	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-H+Cl"	33.962126
"281481"	1103.610602	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+Cl"	34.969402
"675039"	1637.931202	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+Cl"	34.969402
"1280837"	569.290002	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Cl"	34.969402
"26677"	1105.589806	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M-2H+K"	36.948606
"465872"	1639.910406	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M-2H+K"	36.948606
"842945"	571.269206	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-2H+K"	36.948606
"1567892"	571.269206	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+K-2H"	36.948606
"955411"	579.318794	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-H+HCOOH"	44.998194
"375813"	1113.639401	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+HCOOH-H"	44.998201
"359695"	1127.655051	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+Hac-H"	59.013851
"1506948"	593.334451	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Hac-H"	59.013851
"969871"	601.300751	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-H+NaCOOH"	66.980151
"116228"	569.290002	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+2Cl"	69.938804
"556881"	836.450302	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+2Cl"	69.938804
"1034429"	302.129702	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2Cl"	69.938804
"1254738"	613.239485	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Br"	78.918885
"1319337"	615.295472	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Cl+HCOOH"	80.974872
"1331044"	637.277429	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Cl+NaCOOH"	102.956829
"923558"	647.306186	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M-H+CF3COOH"	112.985586
"1300267"	683.282864	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Cl+CF3COOH"	148.962264
"1379160"	499.307924	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H-2H2O"	-35.012676
"1395562"	517.3179	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H-H2O"	-17.0027
"294883"	1069.648476	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+H"	1.007276
"689490"	1603.969076	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+H"	1.007276
"1357088"	535.327876	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H"	1.007276
"126331"	535.327876	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+2H"	2.014552
"568081"	802.488176	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+2H"	2.014552
"1038699"	268.167576	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2H"	2.014552
"205508"	357.221009333333	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+3H"	3.021828
"653459"	535.327876	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+3H"	3.021828
"1175965"	179.114142666667	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+3H"	3.021828
"436323"	1086.675023	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+NH4"	18.033823
"798408"	1620.995623	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+NH4"	18.033823
"1692184"	552.354423	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+NH4"	18.033823
"336093"	543.8411495	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+H+NH4"	19.041099
"730698"	811.0014495	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+H+NH4"	19.041099
"1487803"	276.6808495	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H+NH4"	19.041099
"398828"	1091.630418	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+Na"	22.989218
"765294"	1625.951018	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+Na"	22.989218
"1617772"	557.309818	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Na"	22.989218
"329267"	546.318847	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+H+Na"	23.996494
"720956"	813.479147	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+H+Na"	23.996494
"1471493"	279.158547	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H+Na"	23.996494
"1062915"	186.441456666667	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2H+Na"	25.00377
"1269697"	567.354086	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+CH3OH+H"	33.033486
"386449"	1107.604358	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+K"	38.963158
"741976"	1641.924958	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+K"	38.963158
"1545122"	573.283758	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+K"	38.963158
"303025"	554.305817	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+H+K"	39.970434
"702378"	821.466117	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+H+K"	39.970434
"1449272"	287.145517	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H+K"	39.970434
"250638"	1110.675026	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+ACN+H"	42.033826
"1218606"	576.354426	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+ACN+H"	42.033826
"1204675"	288.680851	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+ACN+2H"	43.041102
"199732"	1113.61236	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+2Na-H"	44.97116
"640386"	1647.93296	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+2Na-H"	44.97116
"1145963"	579.29176	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2Na-H"	44.97116
"187915"	557.309818	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+2Na"	45.978436
"626744"	824.470118	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+2Na"	45.978436
"1130128"	290.149518	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2Na"	45.978436
"1413408"	193.768770666667	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H+2Na"	46.985712
"1441519"	581.333346	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H+HCOOH"	47.012746
"232309"	562.34284	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+3H2O+2H"	56.04448
"1520370"	595.38539	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+IsoProp+H"	61.06479
"421150"	565.296788	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+Na+K"	61.952376
"778863"	832.457088	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+Na+K"	61.952376
"1671917"	298.136488	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Na+K"	61.952376
"256251"	1132.656968	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+ACN+Na"	64.015768
"1232240"	598.336368	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+ACN+Na"	64.015768
"1721125"	598.359893	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+NH4+HCOOH"	64.039293
"1182467"	201.096084666667	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+3Na"	68.967654
"1654186"	603.315288	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Na+HCOOH"	68.994688
"158857"	1145.56024	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+2K-H"	76.91904
"606080"	1679.88084	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+2K-H"	76.91904
"1096061"	611.23964	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2K-H"	76.91904
"152880"	573.283758	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"2M+2K"	77.926316
"595604"	840.444058	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"3M+2K"	77.926316
"1083975"	306.123458	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2K"	77.926316
"1115404"	613.254192	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2K+H"	78.933592
"1351009"	613.341807	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+DMSO+H"	79.021207
"1020795"	617.380976	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2ACN+H"	83.060376
"1539041"	618.374608	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+IsoProp+Na+H"	84.054008
"1005125"	309.194126	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+2ACN+2H"	84.067652
"1600718"	619.289228	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+K+HCOOH"	84.968628
"1429623"	649.320738	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+H+CF3COOH"	115.000138
"1159947"	329.707401	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+3ACN+2H"	125.094202
"1707311"	666.347285	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+NH4+CF3COOH"	132.026685
"1647336"	671.30268	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+Na+CF3COOH"	136.98208
"1573146"	687.27662	"C10005"	"Integerrenine"	"C31H42N4O4"	"534.3206"	"M+K+CF3COOH"	152.95602
"810076"	554.2893	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M"	0
"980330"	535.27091	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-H2O-H"	-19.01839
"69666"	368.518924	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M-3H"	-3.021828
"511413"	553.282024	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M-3H"	-3.021828
"893836"	183.755824	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-3H"	-3.021828
"13626"	553.282024	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M-2H"	-2.014552
"454644"	830.426674	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M-2H"	-2.014552
"832204"	276.137374	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-2H"	-2.014552
"93535"	1107.571324	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M-H"	-1.007276
"533582"	1661.860624	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M-H"	-1.007276
"909557"	553.282024	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-H"	-1.007276
"57979"	1124.597871	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M-2H+NH4"	16.019271
"501918"	1678.887171	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M-2H+NH4"	16.019271
"877164"	570.308571	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-2H+NH4"	16.019271
"44337"	1129.553266	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M-2H+Na"	20.974666
"477338"	1683.842566	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M-2H+Na"	20.974666
"852953"	575.263966	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-2H+Na"	20.974666
"1627956"	575.263966	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Na-2H"	20.974666
"102298"	571.270363	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M-H+Cl"	33.962126
"538575"	848.415013	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M-H+Cl"	33.962126
"932092"	294.125713	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-H+Cl"	33.962126
"281227"	1143.548002	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+Cl"	34.969402
"675312"	1697.837302	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+Cl"	34.969402
"1275844"	589.258702	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Cl"	34.969402
"26787"	1145.527206	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M-2H+K"	36.948606
"466346"	1699.816506	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M-2H+K"	36.948606
"843055"	591.237906	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-2H+K"	36.948606
"1563263"	591.237906	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+K-2H"	36.948606
"954063"	599.287494	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-H+HCOOH"	44.998194
"367173"	1153.576801	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+HCOOH-H"	44.998201
"359805"	1167.592451	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+Hac-H"	59.013851
"1505720"	613.303151	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Hac-H"	59.013851
"966335"	621.269451	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-H+NaCOOH"	66.980151
"113056"	589.258702	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+2Cl"	69.938804
"554804"	866.403352	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+2Cl"	69.938804
"1031258"	312.114052	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2Cl"	69.938804
"1251930"	633.208185	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Br"	78.918885
"1319121"	635.264172	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Cl+HCOOH"	80.974872
"1331883"	657.246129	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Cl+NaCOOH"	102.956829
"923668"	667.274886	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M-H+CF3COOH"	112.985586
"1301107"	703.251564	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Cl+CF3COOH"	148.962264
"1379635"	519.276624	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H-2H2O"	-35.012676
"1395307"	537.2866	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H-H2O"	-17.0027
"296451"	1109.585876	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+H"	1.007276
"689965"	1663.875176	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+H"	1.007276
"1357198"	555.296576	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H"	1.007276
"127535"	555.296576	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+2H"	2.014552
"567827"	832.441226	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+2H"	2.014552
"1038445"	278.151926	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2H"	2.014552
"204889"	370.533476	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+3H"	3.021828
"654662"	555.296576	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+3H"	3.021828
"1173884"	185.770376	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+3H"	3.021828
"436797"	1126.612423	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+NH4"	18.033823
"797427"	1680.901723	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+NH4"	18.033823
"1690109"	572.323123	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+NH4"	18.033823
"334017"	563.8098495	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+H+NH4"	19.041099
"729715"	840.9544995	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+H+NH4"	19.041099
"1483538"	286.6651995	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H+NH4"	19.041099
"397844"	1131.567818	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+Na"	22.989218
"764311"	1685.857118	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+Na"	22.989218
"1617275"	577.278518	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Na"	22.989218
"327797"	566.287547	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+H+Na"	23.996494
"721067"	843.432197	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+H+Na"	23.996494
"1473062"	289.142897	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H+Na"	23.996494
"1062662"	193.09769	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2H+Na"	25.00377
"1267256"	587.322786	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+CH3OH+H"	33.033486
"388383"	1147.541758	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+K"	38.963158
"745366"	1701.831058	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+K"	38.963158
"1545232"	593.252458	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+K"	38.963158
"304229"	574.274517	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+H+K"	39.970434
"698115"	851.419167	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+H+K"	39.970434
"1451934"	297.129867	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H+K"	39.970434
"244913"	1150.612426	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+ACN+H"	42.033826
"1220903"	596.323126	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+ACN+H"	42.033826
"1204785"	298.665201	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+ACN+2H"	43.041102
"202394"	1153.54976	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+2Na-H"	44.97116
"640132"	1707.83906	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+2Na-H"	44.97116
"1144002"	599.26046	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2Na-H"	44.97116
"187296"	577.278518	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+2Na"	45.978436
"625764"	854.423168	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+2Na"	45.978436
"1128177"	300.133868	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2Na"	45.978436
"1408053"	200.425004	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H+2Na"	46.985712
"1439445"	601.302046	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H+HCOOH"	47.012746
"229505"	582.31154	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+3H2O+2H"	56.04448
"1519025"	615.35409	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+IsoProp+H"	61.06479
"419802"	585.265488	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+Na+K"	61.952376
"774600"	862.410138	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+Na+K"	61.952376
"1670933"	308.120838	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Na+K"	61.952376
"256362"	1172.594368	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+ACN+Na"	64.015768
"1233445"	618.305068	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+ACN+Na"	64.015768
"1723059"	618.328593	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+NH4+HCOOH"	64.039293
"1183308"	207.752318	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+3Na"	68.967654
"1658671"	623.283988	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Na+HCOOH"	68.994688
"158242"	1185.49764	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+2K-H"	76.91904
"605097"	1739.78694	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+2K-H"	76.91904
"1093983"	631.20834	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2K-H"	76.91904
"152990"	593.252458	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"2M+2K"	77.926316
"593644"	870.397108	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"3M+2K"	77.926316
"1081438"	316.107808	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2K"	77.926316
"1115018"	633.222892	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2K+H"	78.933592
"1345565"	633.310507	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+DMSO+H"	79.021207
"1020420"	637.349676	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2ACN+H"	83.060376
"1539152"	638.343308	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+IsoProp+Na+H"	84.054008
"1004138"	319.178476	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+2ACN+2H"	84.067652
"1602290"	639.257928	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+K+HCOOH"	84.968628
"1429408"	669.289438	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+H+CF3COOH"	115.000138
"1160057"	339.691751	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+3ACN+2H"	125.094202
"1707421"	686.315985	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+NH4+CF3COOH"	132.026685
"1647446"	691.27138	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+Na+CF3COOH"	136.98208
"1576538"	707.24532	"C10006"	"Integerressine"	"C33H38N4O4"	"554.2893"	"M+K+CF3COOH"	152.95602
"815658"	593.3002	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M"	0
"988830"	574.28181	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-H2O-H"	-19.01839
"77075"	394.526190666667	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M-3H"	-3.021828
"517607"	592.292924	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M-3H"	-3.021828
"894436"	196.759457333333	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-3H"	-3.021828
"11915"	592.292924	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M-2H"	-2.014552
"454026"	888.943024	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M-2H"	-2.014552
"829276"	295.642824	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-2H"	-2.014552
"93892"	1185.593124	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M-H"	-1.007276
"533815"	1778.893324	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M-H"	-1.007276
"910769"	592.292924	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-H"	-1.007276
"62550"	1202.619671	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M-2H+NH4"	16.019271
"498745"	1795.919871	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M-2H+NH4"	16.019271
"877886"	609.319471	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-2H+NH4"	16.019271
"35702"	1207.575066	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M-2H+Na"	20.974666
"477448"	1800.875266	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M-2H+Na"	20.974666
"854158"	614.274866	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-2H+Na"	20.974666
"1625880"	614.274866	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Na-2H"	20.974666
"102408"	610.281263	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M-H+Cl"	33.962126
"539779"	906.931363	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M-H+Cl"	33.962126
"933298"	313.631163	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-H+Cl"	33.962126
"281337"	1221.569802	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+Cl"	34.969402
"673029"	1814.870002	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+Cl"	34.969402
"1277777"	628.269602	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Cl"	34.969402
"28719"	1223.549006	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M-2H+K"	36.948606
"465362"	1816.849206	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M-2H+K"	36.948606
"843164"	630.248806	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-2H+K"	36.948606
"1566652"	630.248806	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+K-2H"	36.948606
"955994"	638.298394	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-H+HCOOH"	44.998194
"372023"	1231.598601	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+HCOOH-H"	44.998201
"359553"	1245.614251	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+Hac-H"	59.013851
"1506563"	652.314051	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Hac-H"	59.013851
"965352"	660.280351	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-H+NaCOOH"	66.980151
"115354"	628.269602	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+2Cl"	69.938804
"553822"	924.919702	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+2Cl"	69.938804
"1034286"	331.619502	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2Cl"	69.938804
"1253136"	672.219085	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Br"	78.918885
"1315225"	674.275072	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Cl+HCOOH"	80.974872
"1330533"	696.257029	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Cl+NaCOOH"	102.956829
"921956"	706.285786	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M-H+CF3COOH"	112.985586
"1302310"	742.262464	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Cl+CF3COOH"	148.962264
"1381565"	558.287524	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H-2H2O"	-35.012676
"1396511"	576.2975	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H-H2O"	-17.0027
"294373"	1187.607676	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+H"	1.007276
"684971"	1780.907876	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+H"	1.007276
"1355486"	594.307476	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H"	1.007276
"128375"	594.307476	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+2H"	2.014552
"568667"	890.957576	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+2H"	2.014552
"1037584"	297.657376	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2H"	2.014552
"204709"	396.540742666667	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+3H"	3.021828
"653679"	594.307476	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+3H"	3.021828
"1176182"	198.774009333333	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+3H"	3.021828
"436908"	1204.634223	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+NH4"	18.033823
"796079"	1797.934423	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+NH4"	18.033823
"1694232"	611.334023	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+NH4"	18.033823
"336316"	602.8207495	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+H+NH4"	19.041099
"734205"	899.4708495	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+H+NH4"	19.041099
"1486933"	306.1706495	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H+NH4"	19.041099
"407927"	1209.589618	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+Na"	22.989218
"768922"	1802.889818	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+Na"	22.989218
"1617874"	616.289418	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Na"	22.989218
"324751"	605.298447	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+H+Na"	23.996494
"717171"	901.948547	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+H+Na"	23.996494
"1473175"	308.648347	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H+Na"	23.996494
"1062044"	206.101323333333	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2H+Na"	25.00377
"1268097"	626.333686	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+CH3OH+H"	33.033486
"391774"	1225.563558	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+K"	38.963158
"745478"	1818.863758	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+K"	38.963158
"1546441"	632.263358	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+K"	38.963158
"307627"	613.285417	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+H+K"	39.970434
"705520"	909.935517	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+H+K"	39.970434
"1461153"	316.635317	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H+K"	39.970434
"250866"	1228.634226	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+ACN+H"	42.033826
"1224790"	635.334026	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+ACN+H"	42.033826
"1208917"	318.170651	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+ACN+2H"	43.041102
"204013"	1231.57156	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+2Na-H"	44.97116
"642800"	1824.87176	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+2Na-H"	44.97116
"1145580"	638.27136	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2Na-H"	44.97116
"187048"	616.289418	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+2Na"	45.978436
"626607"	912.939518	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+2Na"	45.978436
"1127559"	319.639318	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2Na"	45.978436
"1411085"	213.428637333333	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H+2Na"	46.985712
"1444663"	640.312946	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H+HCOOH"	47.012746
"232533"	621.32244	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+3H2O+2H"	56.04448
"1523513"	654.36499	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+IsoProp+H"	61.06479
"418456"	624.276388	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+Na+K"	61.952376
"780184"	920.926488	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+Na+K"	61.952376
"1674326"	327.626288	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Na+K"	61.952376
"256472"	1250.616168	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+ACN+Na"	64.015768
"1230637"	657.315968	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+ACN+Na"	64.015768
"1720253"	657.339493	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+NH4+HCOOH"	64.039293
"1185241"	220.755951333333	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+3Na"	68.967654
"1656229"	662.294888	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Na+HCOOH"	68.994688
"168562"	1263.51944	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+2K-H"	76.91904
"603019"	1856.81964	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+2K-H"	76.91904
"1097375"	670.21924	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2K-H"	76.91904
"153100"	632.263358	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"2M+2K"	77.926316
"593512"	928.913458	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"3M+2K"	77.926316
"1084070"	335.613258	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2K"	77.926316
"1113543"	672.233792	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2K+H"	78.933592
"1351293"	672.321407	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+DMSO+H"	79.021207
"1019554"	676.360576	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2ACN+H"	83.060376
"1537800"	677.354208	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+IsoProp+Na+H"	84.054008
"1000969"	338.683926	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+2ACN+2H"	84.067652
"1602157"	678.268828	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+K+HCOOH"	84.968628
"1429522"	708.300338	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+H+CF3COOH"	115.000138
"1161994"	359.197201	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+3ACN+2H"	125.094202
"1710812"	725.326885	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+NH4+CF3COOH"	132.026685
"1649787"	730.28228	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+Na+CF3COOH"	136.98208
"1586490"	746.25622	"C10007"	"Integerrine"	"C35H39N5O4"	"593.3002"	"M+K+CF3COOH"	152.95602
"810295"	699.3632	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M"	0
"987115"	680.34481	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-H2O-H"	-19.01839
"77179"	465.234857333333	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M-3H"	-3.021828
"514914"	698.355924	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M-3H"	-3.021828
"893817"	232.113790666667	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-3H"	-3.021828
"8746"	698.355924	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M-2H"	-2.014552
"454139"	1048.037524	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M-2H"	-2.014552
"832307"	348.674324	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-2H"	-2.014552
"93148"	1397.719124	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M-H"	-1.007276
"533316"	2097.082324	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M-H"	-1.007276
"910277"	698.355924	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-H"	-1.007276
"60389"	1414.745671	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M-2H+NH4"	16.019271
"501898"	2114.108871	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M-2H+NH4"	16.019271
"878240"	715.382471	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-2H+NH4"	16.019271
"39092"	1419.701066	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M-2H+Na"	20.974666
"481932"	2119.064266	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M-2H+Na"	20.974666
"853175"	720.337866	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-2H+Na"	20.974666
"1620882"	720.337866	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Na-2H"	20.974666
"102517"	716.344263	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M-H+Cl"	33.962126
"540988"	1066.025863	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M-H+Cl"	33.962126
"936689"	366.662663	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-H+Cl"	33.962126
"276344"	1433.695802	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+Cl"	34.969402
"664391"	2133.059002	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+Cl"	34.969402
"1281166"	734.332602	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Cl"	34.969402
"27003"	1435.675006	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M-2H+K"	36.948606
"465472"	2135.038206	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M-2H+K"	36.948606
"843274"	736.311806	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-2H+K"	36.948606
"1565668"	736.311806	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+K-2H"	36.948606
"948084"	744.361394	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-H+HCOOH"	44.998194
"373953"	1443.724601	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+HCOOH-H"	44.998201
"359540"	1457.740251	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+Hac-H"	59.013851
"1506669"	758.377051	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Hac-H"	59.013851
"972388"	766.343351	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-H+NaCOOH"	66.980151
"116555"	734.332602	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+2Cl"	69.938804
"556119"	1084.014202	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+2Cl"	69.938804
"1032574"	384.651002	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2Cl"	69.938804
"1254340"	778.282085	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Br"	78.918885
"1315700"	780.338072	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Cl+HCOOH"	80.974872
"1328822"	802.320029	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Cl+NaCOOH"	102.956829
"922066"	812.348786	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M-H+CF3COOH"	112.985586
"1299505"	848.325464	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Cl+CF3COOH"	148.962264
"1379124"	664.350524	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H-2H2O"	-35.012676
"1395527"	682.3605	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H-H2O"	-17.0027
"295211"	1399.733676	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+H"	1.007276
"688361"	2099.096876	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+H"	1.007276
"1363617"	700.370476	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H"	1.007276
"129943"	700.370476	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+2H"	2.014552
"572058"	1050.052076	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+2H"	2.014552
"1040127"	350.688876	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2H"	2.014552
"207661"	467.249409333333	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+3H"	3.021828
"651601"	700.370476	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+3H"	3.021828
"1175199"	234.128342666667	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+3H"	3.021828
"437018"	1416.760223	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+NH4"	18.033823
"796189"	2116.123423	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+NH4"	18.033823
"1692519"	717.397023	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+NH4"	18.033823
"338611"	708.8837495	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+H+NH4"	19.041099
"734315"	1058.5653495	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+H+NH4"	19.041099
"1487043"	359.2021495	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H+NH4"	19.041099
"405724"	1421.715618	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+Na"	22.989218
"766721"	2121.078818	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+Na"	22.989218
"1617616"	722.352418	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Na"	22.989218
"327771"	711.361447	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+H+Na"	23.996494
"715819"	1061.043047	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+H+Na"	23.996494
"1470001"	361.679847	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H+Na"	23.996494
"1066163"	241.455656666667	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2H+Na"	25.00377
"1268206"	732.396686	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+CH3OH+H"	33.033486
"390790"	1437.689558	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+K"	38.963158
"748867"	2137.052758	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+K"	38.963158
"1545458"	738.326358	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+K"	38.963158
"303726"	719.348417	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+H+K"	39.970434
"702711"	1069.030017	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+H+K"	39.970434
"1459084"	369.666817	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H+K"	39.970434
"250974"	1440.760226	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+ACN+H"	42.033826
"1224900"	741.397026	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+ACN+H"	42.033826
"1209388"	371.202151	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+ACN+2H"	43.041102
"203476"	1443.69756	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+2Na-H"	44.97116
"643641"	2143.06076	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+2Na-H"	44.97116
"1145331"	744.33436	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2Na-H"	44.97116
"186431"	722.352418	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+2Na"	45.978436
"627085"	1072.034018	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+2Na"	45.978436
"1130227"	372.670818	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2Na"	45.978436
"1413507"	248.782970666667	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H+2Na"	46.985712
"1443680"	746.375946	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H+HCOOH"	47.012746
"234832"	727.38544	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+3H2O+2H"	56.04448
"1522894"	760.42799	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+IsoProp+H"	61.06479
"421849"	730.339388	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+Na+K"	61.952376
"782846"	1080.020988	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+Na+K"	61.952376
"1675166"	380.657788	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Na+K"	61.952376
"260591"	1462.742168	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+ACN+Na"	64.015768
"1237673"	763.378968	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+ACN+Na"	64.015768
"1727168"	763.402493	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+NH4+HCOOH"	64.039293
"1189726"	256.110284666667	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+3Na"	68.967654
"1660714"	768.357888	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Na+HCOOH"	68.994688
"160288"	1475.64544	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+2K-H"	76.91904
"600212"	2175.00864	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+2K-H"	76.91904
"1088730"	776.28224	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2K-H"	76.91904
"148835"	738.326358	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"2M+2K"	77.926316
"596870"	1088.007958	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"3M+2K"	77.926316
"1081537"	388.644758	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2K"	77.926316
"1113653"	778.296792	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2K+H"	78.933592
"1350537"	778.384407	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+DMSO+H"	79.021207
"1019422"	782.423576	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2ACN+H"	83.060376
"1538399"	783.417208	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+IsoProp+Na+H"	84.054008
"1005581"	391.715426	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+2ACN+2H"	84.067652
"1602388"	784.331828	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+K+HCOOH"	84.968628
"1429510"	814.363338	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+H+CF3COOH"	115.000138
"1162105"	412.228701	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+3ACN+2H"	125.094202
"1710922"	831.389885	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+NH4+CF3COOH"	132.026685
"1649614"	836.34528	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+Na+CF3COOH"	136.98208
"1586600"	852.31922	"C10008"	"Lasiodine A"	"C39H49N5O7"	"699.3632"	"M+K+CF3COOH"	152.95602
"807125"	506.2893	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M"	0
"983941"	487.27091	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-H2O-H"	-19.01839
"76558"	336.518924	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M-3H"	-3.021828
"513931"	505.282024	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M-3H"	-3.021828
"894535"	167.755824	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-3H"	-3.021828
"13594"	505.282024	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M-2H"	-2.014552
"455535"	758.426674	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M-2H"	-2.014552
"830591"	252.137374	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-2H"	-2.014552
"92040"	1011.571324	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M-H"	-1.007276
"532693"	1517.860624	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M-H"	-1.007276
"910376"	505.282024	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-H"	-1.007276
"60499"	1028.597871	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M-2H+NH4"	16.019271
"502454"	1534.887171	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M-2H+NH4"	16.019271
"877862"	522.308571	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-2H+NH4"	16.019271
"41389"	1033.553266	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M-2H+Na"	20.974666
"477670"	1539.842566	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M-2H+Na"	20.974666
"854378"	527.263966	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-2H+Na"	20.974666
"1620631"	527.263966	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Na-2H"	20.974666
"99350"	523.270363	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M-H+Cl"	33.962126
"541097"	776.415013	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M-H+Cl"	33.962126
"938986"	270.125713	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-H+Cl"	33.962126
"277547"	1047.548002	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+Cl"	34.969402
"664501"	1553.837302	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+Cl"	34.969402
"1277996"	541.258702	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Cl"	34.969402
"19460"	1049.527206	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M-2H+K"	36.948606
"462300"	1555.816506	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M-2H+K"	36.948606
"846663"	543.237906	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-2H+K"	36.948606
"1565778"	543.237906	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+K-2H"	36.948606
"955849"	551.287494	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-H+HCOOH"	44.998194
"370783"	1057.576801	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+HCOOH-H"	44.998201
"357947"	1071.592451	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+Hac-H"	59.013851
"1505685"	565.303151	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Hac-H"	59.013851
"971768"	573.269451	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-H+NaCOOH"	66.980151
"117757"	541.258702	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+2Cl"	69.938804
"556229"	794.403352	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+2Cl"	69.938804
"1033777"	288.114052	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2Cl"	69.938804
"1254816"	585.208185	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Br"	78.918885
"1316539"	587.264172	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Cl+HCOOH"	80.974872
"1330755"	609.246129	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Cl+NaCOOH"	102.956829
"921812"	619.274886	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M-H+CF3COOH"	112.985586
"1299615"	655.251564	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Cl+CF3COOH"	148.962264
"1378506"	471.276624	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H-2H2O"	-35.012676
"1394545"	489.2866	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H-H2O"	-17.0027
"294593"	1013.585876	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+H"	1.007276
"687745"	1519.875176	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+H"	1.007276
"1361904"	507.296576	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H"	1.007276
"128232"	507.296576	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+2H"	2.014552
"572168"	760.441226	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+2H"	2.014552
"1041330"	254.151926	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2H"	2.014552
"207043"	338.533476	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+3H"	3.021828
"649524"	507.296576	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+3H"	3.021828
"1176767"	169.770376	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+3H"	3.021828
"434211"	1030.612423	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+NH4"	18.033823
"799219"	1536.901723	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+NH4"	18.033823
"1689350"	524.323123	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+NH4"	18.033823
"336536"	515.8098495	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+H+NH4"	19.041099
"733332"	768.9544995	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+H+NH4"	19.041099
"1487153"	262.6651995	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H+NH4"	19.041099
"405834"	1035.567818	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+Na"	22.989218
"767924"	1541.857118	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+Na"	22.989218
"1617116"	529.278518	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Na"	22.989218
"324967"	518.287547	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+H+Na"	23.996494
"715201"	771.432197	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+H+Na"	23.996494
"1466833"	265.142897	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H+Na"	23.996494
"1065543"	177.09769	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2H+Na"	25.00377
"1268315"	539.322786	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+CH3OH+H"	33.033486
"391264"	1051.541758	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+K"	38.963158
"750071"	1557.831058	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+K"	38.963158
"1543745"	545.252458	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+K"	38.963158
"303836"	526.274517	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+H+K"	39.970434
"699541"	779.419167	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+H+K"	39.970434
"1456642"	273.129867	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H+K"	39.970434
"250225"	1054.612426	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+ACN+H"	42.033826
"1224271"	548.323126	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+ACN+H"	42.033826
"1209337"	274.665201	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+ACN+2H"	43.041102
"204110"	1057.54976	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+2Na-H"	44.97116
"642897"	1563.83906	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+2Na-H"	44.97116
"1145682"	551.26046	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2Na-H"	44.97116
"186537"	529.278518	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+2Na"	45.978436
"627556"	782.423168	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+2Na"	45.978436
"1129968"	276.133868	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2Na"	45.978436
"1413008"	184.425004	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H+2Na"	46.985712
"1444154"	553.302046	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H+HCOOH"	47.012746
"232753"	534.31154	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+3H2O+2H"	56.04448
"1523569"	567.35409	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+IsoProp+H"	61.06479
"421960"	537.265488	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+Na+K"	61.952376
"781496"	790.410138	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+Na+K"	61.952376
"1672358"	284.120838	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Na+K"	61.952376
"261065"	1076.594368	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+ACN+Na"	64.015768
"1234867"	570.305068	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+ACN+Na"	64.015768
"1724846"	570.328593	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+NH4+HCOOH"	64.039293
"1189106"	191.752318	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+3Na"	68.967654
"1657907"	575.283988	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Na+HCOOH"	68.994688
"160398"	1089.49764	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+2K-H"	76.91904
"599107"	1595.78694	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+2K-H"	76.91904
"1087747"	583.20834	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2K-H"	76.91904
"147852"	545.252458	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"2M+2K"	77.926316
"596411"	798.397108	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"3M+2K"	77.926316
"1081768"	292.107808	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2K"	77.926316
"1113884"	585.222892	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2K+H"	78.933592
"1351135"	585.310507	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+DMSO+H"	79.021207
"1019895"	589.349676	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2ACN+H"	83.060376
"1539118"	590.343308	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+IsoProp+Na+H"	84.054008
"1005204"	295.178476	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+2ACN+2H"	84.067652
"1602131"	591.257928	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+K+HCOOH"	84.968628
"1429853"	621.289438	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+H+CF3COOH"	115.000138
"1162581"	315.691751	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+3ACN+2H"	125.094202
"1711032"	638.315985	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+NH4+CF3COOH"	132.026685
"1649479"	643.27138	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+Na+CF3COOH"	136.98208
"1586710"	659.24532	"C10009"	"Mucronine A"	"C29H38N4O4"	"506.2893"	"M+K+CF3COOH"	152.95602
"807235"	492.2737	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M"	0
"978583"	473.25531	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-H2O-H"	-19.01839
"70106"	327.175190666667	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M-3H"	-3.021828
"516227"	491.266424	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M-3H"	-3.021828
"894400"	163.083957333333	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-3H"	-3.021828
"15164"	491.266424	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M-2H"	-2.014552
"454966"	737.403274	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M-2H"	-2.014552
"831795"	245.129574	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-2H"	-2.014552
"93732"	983.540124	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M-H"	-1.007276
"533292"	1475.813824	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M-H"	-1.007276
"910365"	491.266424	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-H"	-1.007276
"60609"	1000.566671	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M-2H+NH4"	16.019271
"501143"	1492.840371	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M-2H+NH4"	16.019271
"878945"	508.292971	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-2H+NH4"	16.019271
"41499"	1005.522066	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M-2H+Na"	20.974666
"474501"	1497.795766	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M-2H+Na"	20.974666
"851936"	513.248366	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-2H+Na"	20.974666
"1624023"	513.248366	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Na-2H"	20.974666
"99460"	509.254763	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M-H+Cl"	33.962126
"540114"	755.391613	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M-H+Cl"	33.962126
"940555"	263.117913	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-H+Cl"	33.962126
"277659"	1019.516802	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+Cl"	34.969402
"667892"	1511.790502	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+Cl"	34.969402
"1278109"	527.243102	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Cl"	34.969402
"18478"	1021.496006	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M-2H+K"	36.948606
"465692"	1513.769706	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M-2H+K"	36.948606
"842400"	529.222306	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-2H+K"	36.948606
"1564795"	529.222306	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+K-2H"	36.948606
"953773"	537.271894	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-H+HCOOH"	44.998194
"368706"	1029.545601	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+HCOOH-H"	44.998201
"358057"	1043.561251	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+Hac-H"	59.013851
"1505795"	551.287551	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Hac-H"	59.013851
"968962"	559.253851	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-H+NaCOOH"	66.980151
"118961"	527.243102	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+2Cl"	69.938804
"553055"	773.379952	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+2Cl"	69.938804
"1029512"	281.106252	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2Cl"	69.938804
"1252371"	571.192585	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Br"	78.918885
"1317012"	573.248572	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Cl+HCOOH"	80.974872
"1331595"	595.230529	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Cl+NaCOOH"	102.956829
"924474"	605.259286	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M-H+CF3COOH"	112.985586
"1301913"	641.235964	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Cl+CF3COOH"	148.962264
"1378616"	457.261024	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H-2H2O"	-35.012676
"1396112"	475.271	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H-H2O"	-17.0027
"295797"	985.554676	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+H"	1.007276
"688583"	1477.828376	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+H"	1.007276
"1364203"	493.280976	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H"	1.007276
"129435"	493.280976	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+2H"	2.014552
"570091"	739.417826	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+2H"	2.014552
"1039617"	247.144126	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2H"	2.014552
"206789"	329.189742666667	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+3H"	3.021828
"646718"	493.280976	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+3H"	3.021828
"1176511"	165.098509333333	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+3H"	3.021828
"438331"	1002.581223	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+NH4"	18.033823
"798959"	1494.854923	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+NH4"	18.033823
"1691648"	510.307523	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+NH4"	18.033823
"338829"	501.7942495	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+H+NH4"	19.041099
"733443"	747.9310995	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+H+NH4"	19.041099
"1492004"	255.6573995	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H+NH4"	19.041099
"402661"	1007.536618	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+Na"	22.989218
"768036"	1499.810318	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+Na"	22.989218
"1613945"	515.262918	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Na"	22.989218
"327264"	504.271947	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+H+Na"	23.996494
"717498"	750.408797	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+H+Na"	23.996494
"1469131"	258.135097	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H+Na"	23.996494
"1062374"	172.425823333333	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2H+Na"	25.00377
"1262960"	525.307186	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+CH3OH+H"	33.033486
"388095"	1023.510558	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+K"	38.963158
"750181"	1515.784258	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+K"	38.963158
"1543491"	531.236858	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+K"	38.963158
"303946"	512.258917	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+H+K"	39.970434
"699651"	758.395767	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+H+K"	39.970434
"1459304"	266.122067	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H+K"	39.970434
"249363"	1026.581226	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+ACN+H"	42.033826
"1223774"	534.307526	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+ACN+H"	42.033826
"1209243"	267.657401	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+ACN+2H"	43.041102
"203733"	1029.51856	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+2Na-H"	44.97116
"642643"	1521.79226	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+2Na-H"	44.97116
"1145546"	537.24486	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2Na-H"	44.97116
"186894"	515.262918	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+2Na"	45.978436
"626573"	761.399768	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+2Na"	45.978436
"1127526"	269.126068	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2Na"	45.978436
"1411413"	179.753137333333	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H+2Na"	46.985712
"1444628"	539.286446	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H+HCOOH"	47.012746
"232863"	520.29594	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+3H2O+2H"	56.04448
"1519831"	553.33849	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+IsoProp+H"	61.06479
"421340"	523.249888	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+Na+K"	61.952376
"782337"	769.386738	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+Na+K"	61.952376
"1672468"	277.113038	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Na+K"	61.952376
"260083"	1048.563168	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+ACN+Na"	64.015768
"1234978"	556.289468	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+ACN+Na"	64.015768
"1725685"	556.312993	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+NH4+HCOOH"	64.039293
"1189945"	187.080451333333	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+3Na"	68.967654
"1660204"	561.268388	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Na+HCOOH"	68.994688
"162694"	1061.46644	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+2K-H"	76.91904
"600068"	1553.74014	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+2K-H"	76.91904
"1087131"	569.19274	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2K-H"	76.91904
"150149"	531.236858	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"2M+2K"	77.926316
"596844"	777.373708	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"3M+2K"	77.926316
"1083717"	285.100008	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2K"	77.926316
"1115597"	571.207292	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2K+H"	78.933592
"1351001"	571.294907	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+DMSO+H"	79.021207
"1021224"	575.334076	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2ACN+H"	83.060376
"1539472"	576.327708	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+IsoProp+Na+H"	84.054008
"1005317"	288.170676	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+2ACN+2H"	84.067652
"1602248"	577.242328	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+K+HCOOH"	84.968628
"1429001"	607.273838	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+H+CF3COOH"	115.000138
"1162328"	308.683951	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+3ACN+2H"	125.094202
"1712363"	624.300385	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+NH4+CF3COOH"	132.026685
"1649710"	629.25578	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+Na+CF3COOH"	136.98208
"1586820"	645.22972	"C10010"	"Mucronine B"	"C28H36N4O4"	"492.2737"	"M+K+CF3COOH"	152.95602
"804065"	428.2424	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M"	0
"977599"	409.22401	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-H2O-H"	-19.01839
"70216"	284.487657333333	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M-3H"	-3.021828
"514149"	427.235124	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M-3H"	-3.021828
"894874"	141.740190666667	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-3H"	-3.021828
"14908"	427.235124	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M-2H"	-2.014552
"454106"	641.356324	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M-2H"	-2.014552
"832071"	213.113924	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-2H"	-2.014552
"92869"	855.477524	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M-H"	-1.007276
"533931"	1283.719924	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M-H"	-1.007276
"910474"	427.235124	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-H"	-1.007276
"61691"	872.504071	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M-2H+NH4"	16.019271
"501253"	1300.746471	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M-2H+NH4"	16.019271
"878570"	444.261671	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-2H+NH4"	16.019271
"43795"	877.459466	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M-2H+Na"	20.974666
"475705"	1305.701866	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M-2H+Na"	20.974666
"850589"	449.217066	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-2H+Na"	20.974666
"1623040"	449.217066	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Na-2H"	20.974666
"99570"	445.223463	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M-H+Cl"	33.962126
"543504"	659.344663	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M-H+Cl"	33.962126
"940300"	231.102263	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-H+Cl"	33.962126
"278862"	891.454202	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+Cl"	34.969402
"671284"	1319.696602	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+Cl"	34.969402
"1281499"	463.211802	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Cl"	34.969402
"25148"	893.433406	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M-2H+K"	36.948606
"466896"	1321.675806	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M-2H+K"	36.948606
"846883"	465.191006	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-2H+K"	36.948606
"1568914"	465.191006	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+K-2H"	36.948606
"953882"	473.240594	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-H+HCOOH"	44.998194
"371003"	901.483001	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+HCOOH-H"	44.998201
"359260"	915.498651	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+Hac-H"	59.013851
"1505541"	487.256251	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Hac-H"	59.013851
"969072"	495.222551	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-H+NaCOOH"	66.980151
"116884"	463.211802	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+2Cl"	69.938804
"550979"	677.333002	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+2Cl"	69.938804
"1024154"	249.090602	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2Cl"	69.938804
"1251388"	507.161285	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Br"	78.918885
"1319187"	509.217272	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Cl+HCOOH"	80.974872
"1333527"	531.199229	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Cl+NaCOOH"	102.956829
"925312"	541.227986	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M-H+CF3COOH"	112.985586
"1301656"	577.204664	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Cl+CF3COOH"	148.962264
"1381520"	393.229724	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H-2H2O"	-35.012676
"1396952"	411.2397	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H-H2O"	-17.0027
"294447"	857.492076	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+H"	1.007276
"689420"	1285.734476	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+H"	1.007276
"1363217"	429.249676	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H"	1.007276
"129545"	429.249676	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+2H"	2.014552
"570200"	643.370876	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+2H"	2.014552
"1038999"	215.128476	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2H"	2.014552
"207627"	286.502209333333	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+3H"	3.021828
"647556"	429.249676	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+3H"	3.021828
"1176746"	143.754742666667	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+3H"	3.021828
"436986"	874.518623	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+NH4"	18.033823
"798341"	1302.761023	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+NH4"	18.033823
"1691394"	446.276223	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+NH4"	18.033823
"341493"	437.7629495	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+H+NH4"	19.041099
"733553"	651.8841495	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+H+NH4"	19.041099
"1491385"	223.6417495	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H+NH4"	19.041099
"404595"	879.474018	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+Na"	22.989218
"767782"	1307.716418	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+Na"	22.989218
"1614786"	451.231618	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Na"	22.989218
"327009"	440.240647	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+H+Na"	23.996494
"721862"	654.361847	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+H+Na"	23.996494
"1469241"	226.119447	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H+Na"	23.996494
"1062485"	151.082056666667	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2H+Na"	25.00377
"1265255"	461.275886	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+CH3OH+H"	33.033486
"386016"	895.447958	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+K"	38.963158
"748104"	1323.690358	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+K"	38.963158
"1546882"	467.205558	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+K"	38.963158
"305150"	448.227617	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+H+K"	39.970434
"699761"	662.348817	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+H+K"	39.970434
"1459778"	234.106417	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H+K"	39.970434
"248380"	898.518626	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+ACN+H"	42.033826
"1223763"	470.276226	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+ACN+H"	42.033826
"1209233"	235.641751	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+ACN+2H"	43.041102
"203558"	901.45596	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+2Na-H"	44.97116
"643605"	1329.69836	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+2Na-H"	44.97116
"1144191"	473.21356	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2Na-H"	44.97116
"185294"	451.231618	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+2Na"	45.978436
"625585"	665.352818	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+2Na"	45.978436
"1127997"	237.110418	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2Na"	45.978436
"1405688"	158.409370666667	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H+2Na"	46.985712
"1442184"	475.255146	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H+HCOOH"	47.012746
"232241"	456.26464	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+3H2O+2H"	56.04448
"1518481"	489.30719	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+IsoProp+H"	61.06479
"417436"	459.218588	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+Na+K"	61.952376
"781352"	673.339788	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+Na+K"	61.952376
"1669299"	245.097388	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Na+K"	61.952376
"261286"	920.500568	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+ACN+Na"	64.015768
"1235088"	492.258168	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+ACN+Na"	64.015768
"1722879"	492.281693	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+NH4+HCOOH"	64.039293
"1186046"	165.736684666667	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+3Na"	68.967654
"1659221"	497.237088	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Na+HCOOH"	68.994688
"161708"	933.40384	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+2K-H"	76.91904
"601269"	1361.64624	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+2K-H"	76.91904
"1086510"	505.16144	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2K-H"	76.91904
"151352"	467.205558	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"2M+2K"	77.926316
"596711"	681.326758	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"3M+2K"	77.926316
"1084106"	253.084358	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2K"	77.926316
"1109730"	507.175992	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2K+H"	78.933592
"1351067"	507.263607	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+DMSO+H"	79.021207
"1021261"	511.302776	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2ACN+H"	83.060376
"1538241"	512.296408	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+IsoProp+Na+H"	84.054008
"1005343"	256.155026	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+2ACN+2H"	84.067652
"1602356"	513.211028	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+K+HCOOH"	84.968628
"1429233"	543.242538	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+H+CF3COOH"	115.000138
"1162480"	276.668301	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+3ACN+2H"	125.094202
"1712230"	560.269085	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+NH4+CF3COOH"	132.026685
"1649090"	565.22448	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+Na+CF3COOH"	136.98208
"1586930"	581.19842	"C10011"	"Nummularine F"	"C23H32N4O4"	"428.2424"	"M+K+CF3COOH"	152.95602
"804175"	552.3312	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M"	0
"975523"	533.31281	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-H2O-H"	-19.01839
"70326"	367.213524	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M-3H"	-3.021828
"513166"	551.323924	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M-3H"	-3.021828
"887688"	183.103124	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-3H"	-3.021828
"14287"	551.323924	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M-2H"	-2.014552
"453120"	827.489524	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M-2H"	-2.014552
"831289"	275.158324	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-2H"	-2.014552
"89088"	1103.655124	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M-H"	-1.007276
"532541"	1655.986324	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M-H"	-1.007276
"907545"	551.323924	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-H"	-1.007276
"58643"	1120.681671	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M-2H+NH4"	16.019271
"498205"	1673.012871	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M-2H+NH4"	16.019271
"870539"	568.350471	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-2H+NH4"	16.019271
"40625"	1125.637066	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M-2H+Na"	20.974666
"471640"	1677.968266	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M-2H+Na"	20.974666
"850335"	573.305866	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-2H+Na"	20.974666
"1620964"	573.305866	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Na-2H"	20.974666
"99680"	569.312263	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M-H+Cl"	33.962126
"543614"	845.477863	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M-H+Cl"	33.962126
"937129"	293.146663	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-H+Cl"	33.962126
"276785"	1139.631802	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+Cl"	34.969402
"670303"	1691.963002	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+Cl"	34.969402
"1282703"	587.300602	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Cl"	34.969402
"21978"	1141.611006	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M-2H+K"	36.948606
"468099"	1693.942206	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M-2H+K"	36.948606
"846629"	589.279806	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-2H+K"	36.948606
"1569024"	589.279806	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+K-2H"	36.948606
"955085"	597.329394	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-H+HCOOH"	44.998194
"371113"	1149.660601	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+HCOOH-H"	44.998201
"356090"	1163.676251	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+Hac-H"	59.013851
"1504922"	611.345051	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Hac-H"	59.013851
"966995"	619.311351	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-H+NaCOOH"	66.980151
"113714"	587.300602	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+2Cl"	69.938804
"551087"	863.466202	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+2Cl"	69.938804
"1022076"	311.135002	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2Cl"	69.938804
"1249311"	631.250085	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Br"	78.918885
"1318323"	633.306072	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Cl+HCOOH"	80.974872
"1334610"	655.288029	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Cl+NaCOOH"	102.956829
"924693"	665.316786	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M-H+CF3COOH"	112.985586
"1301766"	701.293464	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Cl+CF3COOH"	148.962264
"1381387"	517.318524	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H-2H2O"	-35.012676
"1397060"	535.3285	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H-H2O"	-17.0027
"294557"	1105.669676	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+H"	1.007276
"688437"	1658.000876	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+H"	1.007276
"1361141"	553.338476	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H"	1.007276
"128562"	553.338476	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+2H"	2.014552
"569217"	829.504076	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+2H"	2.014552
"1039109"	277.172876	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2H"	2.014552
"207373"	369.228076	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+3H"	3.021828
"648759"	553.338476	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+3H"	3.021828
"1175640"	185.117676	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+3H"	3.021828
"437339"	1122.696223	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+NH4"	18.033823
"798817"	1675.027423	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+NH4"	18.033823
"1692962"	570.365023	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+NH4"	18.033823
"342332"	561.8517495	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+H+NH4"	19.041099
"733663"	838.0173495	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+H+NH4"	19.041099
"1490402"	285.6861495	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H+NH4"	19.041099
"406772"	1127.651618	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+Na"	22.989218
"762786"	1679.982818	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+Na"	22.989218
"1615624"	575.320418	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Na"	22.989218
"326877"	564.329447	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+H+Na"	23.996494
"714437"	840.495047	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+H+Na"	23.996494
"1469351"	288.163847	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H+Na"	23.996494
"1062595"	192.44499	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2H+Na"	25.00377
"1263180"	585.364686	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+CH3OH+H"	33.033486
"388681"	1143.625558	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+K"	38.963158
"744936"	1695.956758	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+K"	38.963158
"1546992"	591.294358	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+K"	38.963158
"304167"	572.316417	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+H+K"	39.970434
"696591"	848.482017	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+H+K"	39.970434
"1454785"	296.150817	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H+K"	39.970434
"249583"	1146.696226	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+ACN+H"	42.033826
"1221563"	594.365026	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+ACN+H"	42.033826
"1208006"	297.686151	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+ACN+2H"	43.041102
"201846"	1149.63356	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+2Na-H"	44.97116
"643105"	1701.96476	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+2Na-H"	44.97116
"1145391"	597.30236	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2Na-H"	44.97116
"182120"	575.320418	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+2Na"	45.978436
"622045"	851.486018	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+2Na"	45.978436
"1121175"	299.154818	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2Na"	45.978436
"1405798"	199.772304	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H+2Na"	46.985712
"1440100"	599.343946	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H+HCOOH"	47.012746
"231620"	580.35344	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+3H2O+2H"	56.04448
"1521505"	613.39599	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+IsoProp+H"	61.06479
"421920"	583.307388	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+Na+K"	61.952376
"778541"	859.472988	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+Na+K"	61.952376
"1669409"	307.141788	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Na+K"	61.952376
"254834"	1168.678168	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+ACN+Na"	64.015768
"1233011"	616.346968	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+ACN+Na"	64.015768
"1718616"	616.370493	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+NH4+HCOOH"	64.039293
"1182874"	207.099618	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+3Na"	68.967654
"1650621"	621.325888	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Na+HCOOH"	68.994688
"160722"	1181.58144	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+2K-H"	76.91904
"599191"	1733.91264	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+2K-H"	76.91904
"1084917"	629.25024	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2K-H"	76.91904
"147085"	591.294358	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"2M+2K"	77.926316
"587737"	867.459958	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"3M+2K"	77.926316
"1081003"	315.128758	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2K"	77.926316
"1105465"	631.264792	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2K+H"	78.933592
"1348410"	631.352407	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+DMSO+H"	79.021207
"1020346"	635.391576	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2ACN+H"	83.060376
"1539202"	636.385208	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+IsoProp+Na+H"	84.054008
"1000423"	318.199426	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+2ACN+2H"	84.067652
"1600395"	637.299828	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+K+HCOOH"	84.968628
"1423867"	667.331338	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+H+CF3COOH"	115.000138
"1154155"	338.712701	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+3ACN+2H"	125.094202
"1710268"	684.357885	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+NH4+CF3COOH"	132.026685
"1636078"	689.31328	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+Na+CF3COOH"	136.98208
"1580478"	705.28722	"C10012"	"Pandamine"	"C31H44N4O5"	"552.3312"	"M+K+CF3COOH"	152.95602
"804285"	518.2893	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M"	0
"981100"	499.27091	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-H2O-H"	-19.01839
"73715"	344.518924	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M-3H"	-3.021828
"511089"	517.282024	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M-3H"	-3.021828
"887798"	171.755824	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-3H"	-3.021828
"15004"	517.282024	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M-2H"	-2.014552
"453230"	776.426674	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M-2H"	-2.014552
"831397"	258.137374	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-2H"	-2.014552
"92357"	1035.571324	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M-H"	-1.007276
"533013"	1553.860624	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M-H"	-1.007276
"906564"	517.282024	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-H"	-1.007276
"59846"	1052.597871	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M-2H+NH4"	16.019271
"497222"	1570.887171	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M-2H+NH4"	16.019271
"871742"	534.308571	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-2H+NH4"	16.019271
"39641"	1057.553266	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M-2H+Na"	20.974666
"473372"	1575.842566	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M-2H+Na"	20.974666
"850080"	539.263966	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-2H+Na"	20.974666
"1623260"	539.263966	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Na-2H"	20.974666
"99790"	535.270363	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M-H+Cl"	33.962126
"537162"	794.415013	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M-H+Cl"	33.962126
"935052"	276.125713	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-H+Cl"	33.962126
"276896"	1071.548002	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+Cl"	34.969402
"670414"	1589.837302	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+Cl"	34.969402
"1284635"	553.258702	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Cl"	34.969402
"22088"	1073.527206	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M-2H+K"	36.948606
"468938"	1591.816506	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M-2H+K"	36.948606
"847103"	555.237906	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-2H+K"	36.948606
"1569134"	555.237906	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+K-2H"	36.948606
"954102"	563.287494	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-H+HCOOH"	44.998194
"371223"	1081.576801	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+HCOOH-H"	44.998201
"352920"	1095.592451	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+Hac-H"	59.013851
"1505033"	577.303151	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Hac-H"	59.013851
"970385"	585.269451	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-H+NaCOOH"	66.980151
"117104"	553.258702	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+2Cl"	69.938804
"553386"	812.403352	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+2Cl"	69.938804
"1022912"	294.114052	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2Cl"	69.938804
"1243952"	597.208185	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Br"	78.918885
"1314058"	599.264172	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Cl+HCOOH"	80.974872
"1334476"	621.246129	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Cl+NaCOOH"	102.956829
"926262"	631.274886	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M-H+CF3COOH"	112.985586
"1303334"	667.251564	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Cl+CF3COOH"	148.962264
"1381861"	483.276624	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H-2H2O"	-35.012676
"1397900"	501.2866	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H-H2O"	-17.0027
"294667"	1037.585876	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+H"	1.007276
"689277"	1555.875176	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+H"	1.007276
"1362710"	519.296576	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H"	1.007276
"131951"	519.296576	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+2H"	2.014552
"569327"	778.441226	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+2H"	2.014552
"1039219"	260.151926	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2H"	2.014552
"207483"	346.533476	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+3H"	3.021828
"649963"	519.296576	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+3H"	3.021828
"1174655"	173.770376	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+3H"	3.021828
"438658"	1054.612423	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+NH4"	18.033823
"799289"	1572.901723	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+NH4"	18.033823
"1695624"	536.323123	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+NH4"	18.033823
"342806"	527.8098495	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+H+NH4"	19.041099
"734866"	786.9544995	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+H+NH4"	19.041099
"1491848"	268.6651995	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H+NH4"	19.041099
"407003"	1059.567818	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+Na"	22.989218
"766176"	1577.857118	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+Na"	22.989218
"1618043"	541.278518	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Na"	22.989218
"329298"	530.287547	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+H+Na"	23.996494
"720014"	789.432197	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+H+Na"	23.996494
"1472741"	271.142897	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H+Na"	23.996494
"1066714"	181.09769	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2H+Na"	25.00377
"1264383"	551.322786	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+CH3OH+H"	33.033486
"390612"	1075.541758	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+K"	38.963158
"751608"	1593.831058	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+K"	38.963158
"1546004"	557.252458	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+K"	38.963158
"307557"	538.274517	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+H+K"	39.970434
"699981"	797.419167	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+H+K"	39.970434
"1455989"	279.129867	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H+K"	39.970434
"248964"	1078.612426	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+ACN+H"	42.033826
"1218391"	560.323126	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+ACN+H"	42.033826
"1208964"	280.665201	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+ACN+2H"	43.041102
"202806"	1081.54976	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+2Na-H"	44.97116
"642729"	1599.83906	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+2Na-H"	44.97116
"1142584"	563.26046	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2Na-H"	44.97116
"177126"	541.278518	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+2Na"	45.978436
"621058"	800.423168	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+2Na"	45.978436
"1118731"	282.133868	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2Na"	45.978436
"1407001"	188.425004	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H+2Na"	46.985712
"1436929"	565.302046	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H+HCOOH"	47.012746
"228812"	546.31154	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+3H2O+2H"	56.04448
"1521249"	579.35409	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+IsoProp+H"	61.06479
"422152"	549.265488	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+Na+K"	61.952376
"779745"	808.410138	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+Na+K"	61.952376
"1672799"	290.120838	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Na+K"	61.952376
"257131"	1100.594368	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+ACN+Na"	64.015768
"1232028"	582.305068	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+ACN+Na"	64.015768
"1718726"	582.328593	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+NH4+HCOOH"	64.039293
"1182984"	195.752318	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+3Na"	68.967654
"1650691"	587.283988	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Na+HCOOH"	68.994688
"160832"	1113.49764	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+2K-H"	76.91904
"598206"	1631.78694	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+2K-H"	76.91904
"1085270"	595.20834	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2K-H"	76.91904
"144280"	557.252458	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"2M+2K"	77.926316
"584568"	816.397108	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"3M+2K"	77.926316
"1081113"	298.107808	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2K"	77.926316
"1106668"	597.222892	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2K+H"	78.933592
"1348520"	597.310507	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+DMSO+H"	79.021207
"1020578"	601.349676	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2ACN+H"	83.060376
"1538339"	602.343308	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+IsoProp+Na+H"	84.054008
"1000533"	301.178476	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+2ACN+2H"	84.067652
"1592850"	603.257928	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+K+HCOOH"	84.968628
"1420696"	633.289438	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+H+CF3COOH"	115.000138
"1157545"	321.691751	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+3ACN+2H"	125.094202
"1704911"	650.315985	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+NH4+CF3COOH"	132.026685
"1636188"	655.27138	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+Na+CF3COOH"	136.98208
"1580588"	671.24532	"C10013"	"Sativanine B"	"C30H38N4O4"	"518.2893"	"M+K+CF3COOH"	152.95602
"804395"	651.3421	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M"	0
"986678"	632.32371	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-H2O-H"	-19.01839
"76013"	433.220790666667	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M-3H"	-3.021828
"513387"	650.334824	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M-3H"	-3.021828
"890095"	216.106757333333	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-3H"	-3.021828
"14021"	650.334824	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M-2H"	-2.014552
"453706"	976.005874	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M-2H"	-2.014552
"831145"	324.663774	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-2H"	-2.014552
"91868"	1301.676924	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M-H"	-1.007276
"532035"	1953.019024	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M-H"	-1.007276
"906674"	650.334824	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-H"	-1.007276
"59960"	1318.703471	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M-2H+NH4"	16.019271
"499518"	1970.045571	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M-2H+NH4"	16.019271
"872946"	667.361371	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-2H+NH4"	16.019271
"35380"	1323.658866	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M-2H+Na"	20.974666
"472629"	1975.000966	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M-2H+Na"	20.974666
"850556"	672.316766	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-2H+Na"	20.974666
"1624465"	672.316766	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Na-2H"	20.974666
"99900"	668.323163	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M-H+Cl"	33.962126
"537272"	993.994213	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M-H+Cl"	33.962126
"935162"	342.652113	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-H+Cl"	33.962126
"277009"	1337.653602	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+Cl"	34.969402
"671253"	1988.995702	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+Cl"	34.969402
"1281829"	686.311502	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Cl"	34.969402
"25478"	1339.632806	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M-2H+K"	36.948606
"469050"	1990.974906	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M-2H+K"	36.948606
"846853"	688.290706	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-2H+K"	36.948606
"1570703"	688.290706	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+K-2H"	36.948606
"956399"	696.340294	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-H+HCOOH"	44.998194
"376437"	1347.682401	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+HCOOH-H"	44.998201
"359591"	1361.698051	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+Hac-H"	59.013851
"1507819"	710.355951	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Hac-H"	59.013851
"971589"	718.322251	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-H+NaCOOH"	66.980151
"117214"	686.311502	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+2Cl"	69.938804
"553496"	1011.982552	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+2Cl"	69.938804
"1023142"	360.640452	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2Cl"	69.938804
"1246613"	730.260985	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Br"	78.918885
"1313075"	732.316972	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Cl+HCOOH"	80.974872
"1333494"	754.298929	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Cl+NaCOOH"	102.956829
"926005"	764.327686	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M-H+CF3COOH"	112.985586
"1302351"	800.304364	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Cl+CF3COOH"	148.962264
"1380514"	616.329424	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H-2H2O"	-35.012676
"1390718"	634.3394	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H-H2O"	-17.0027
"289310"	1303.691476	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+H"	1.007276
"680637"	1955.033576	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+H"	1.007276
"1360997"	652.349376	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H"	1.007276
"129875"	652.349376	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+2H"	2.014552
"567251"	978.020426	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+2H"	2.014552
"1038598"	326.678326	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2H"	2.014552
"207593"	435.235342666667	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+3H"	3.021828
"648980"	652.349376	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+3H"	3.021828
"1174765"	218.121309333333	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+3H"	3.021828
"438770"	1320.718023	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+NH4"	18.033823
"800859"	1972.060123	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+NH4"	18.033823
"1696099"	669.375923	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+NH4"	18.033823
"343282"	660.8626495	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+H+NH4"	19.041099
"734612"	986.5336995	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+H+NH4"	19.041099
"1492079"	335.1915995	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H+NH4"	19.041099
"405291"	1325.673418	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+Na"	22.989218
"767379"	1977.015518	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+Na"	22.989218
"1618236"	674.331318	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Na"	22.989218
"324423"	663.340347	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+H+Na"	23.996494
"720124"	989.011397	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+H+Na"	23.996494
"1476781"	337.669297	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H+Na"	23.996494
"1068410"	225.448623333333	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2H+Na"	25.00377
"1266680"	684.375586	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+CH3OH+H"	33.033486
"384160"	1341.647358	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+K"	38.963158
"747341"	1992.989458	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+K"	38.963158
"1547209"	690.305258	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+K"	38.963158
"306574"	671.327317	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+H+K"	39.970434
"700091"	996.998367	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+H+K"	39.970434
"1460474"	345.656267	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H+K"	39.970434
"251021"	1344.718026	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+ACN+H"	42.033826
"1224942"	693.375926	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+ACN+H"	42.033826
"1209317"	347.191601	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+ACN+2H"	43.041102
"202915"	1347.65536	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+2Na-H"	44.97116
"643446"	1998.99746	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+2Na-H"	44.97116
"1145853"	696.31326	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2Na-H"	44.97116
"179423"	674.331318	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+2Na"	45.978436
"621170"	1000.002368	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+2Na"	45.978436
"1121394"	348.660268	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2Na"	45.978436
"1411121"	232.775937333333	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H+2Na"	46.985712
"1438133"	698.354846	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H+HCOOH"	47.012746
"235364"	679.36434	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+3H2O+2H"	56.04448
"1520995"	712.40689	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+IsoProp+H"	61.06479
"423720"	682.318288	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+Na+K"	61.952376
"784959"	1007.989338	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+Na+K"	61.952376
"1674002"	356.647238	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Na+K"	61.952376
"262708"	1366.699968	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+ACN+Na"	64.015768
"1236511"	715.357868	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+ACN+Na"	64.015768
"1723211"	715.381393	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+NH4+HCOOH"	64.039293
"1189655"	240.103251333333	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+3Na"	68.967654
"1659550"	720.336788	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Na+HCOOH"	68.994688
"157779"	1379.60324	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+2K-H"	76.91904
"597821"	2030.94534	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+2K-H"	76.91904
"1088664"	728.26114	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2K-H"	76.91904
"144389"	690.305258	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"2M+2K"	77.926316
"585771"	1015.976308	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"3M+2K"	77.926316
"1079036"	364.634208	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2K"	77.926316
"1102405"	730.275692	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2K+H"	78.933592
"1345350"	730.363307	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+DMSO+H"	79.021207
"1020445"	734.402476	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2ACN+H"	83.060376
"1536383"	735.396108	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+IsoProp+Na+H"	84.054008
"997363"	367.704876	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+2ACN+2H"	84.067652
"1592960"	736.310728	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+K+HCOOH"	84.968628
"1417526"	766.342238	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+H+CF3COOH"	115.000138
"1151095"	388.218151	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+3ACN+2H"	125.094202
"1708301"	783.368785	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+NH4+CF3COOH"	132.026685
"1636298"	788.32418	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+Na+CF3COOH"	136.98208
"1577418"	804.29812	"C10014"	"Scutianine F"	"C38H45N5O5"	"651.3421"	"M+K+CF3COOH"	152.95602
"807785"	611.3683	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M"	0
"986788"	592.34991	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-H2O-H"	-19.01839
"70656"	406.571590666667	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M-3H"	-3.021828
"512404"	610.361024	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M-3H"	-3.021828
"890205"	202.782157333333	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-3H"	-3.021828
"15477"	610.361024	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M-2H"	-2.014552
"454544"	916.045174	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M-2H"	-2.014552
"831622"	304.676874	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-2H"	-2.014552
"92224"	1221.729324	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M-H"	-1.007276
"531784"	1833.097624	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M-H"	-1.007276
"910191"	610.361024	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-H"	-1.007276
"60800"	1238.755871	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M-2H+NH4"	16.019271
"499630"	1850.124171	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M-2H+NH4"	16.019271
"877430"	627.387571	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-2H+NH4"	16.019271
"39864"	1243.711266	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M-2H+Na"	20.974666
"472984"	1855.079566	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M-2H+Na"	20.974666
"853946"	632.342966	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-2H+Na"	20.974666
"1625668"	632.342966	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Na-2H"	20.974666
"100010"	628.349363	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M-H+Cl"	33.962126
"538476"	934.033513	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M-H+Cl"	33.962126
"936365"	322.665213	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-H+Cl"	33.962126
"277121"	1257.706002	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+Cl"	34.969402
"669177"	1869.074302	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+Cl"	34.969402
"1285220"	646.337702	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Cl"	34.969402
"28507"	1259.685206	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M-2H+K"	36.948606
"465885"	1871.053506	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M-2H+K"	36.948606
"846600"	648.316906	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-2H+K"	36.948606
"1568996"	648.316906	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+K-2H"	36.948606
"958176"	656.366494	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-H+HCOOH"	44.998194
"376676"	1267.734801	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+HCOOH-H"	44.998201
"360317"	1281.750451	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+Hac-H"	59.013851
"1507935"	670.382151	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Hac-H"	59.013851
"973690"	678.348451	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-H+NaCOOH"	66.980151
"119512"	646.337702	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+2Cl"	69.938804
"555792"	952.021852	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+2Cl"	69.938804
"1023498"	340.653552	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2Cl"	69.938804
"1246723"	690.287185	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Br"	78.918885
"1318288"	692.343172	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Cl+HCOOH"	80.974872
"1333970"	714.325129	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Cl+NaCOOH"	102.956829
"926480"	724.353886	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M-H+CF3COOH"	112.985586
"1303805"	760.330564	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Cl+CF3COOH"	148.962264
"1382372"	576.355624	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H-2H2O"	-35.012676
"1396662"	594.3656	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H-H2O"	-17.0027
"294524"	1223.743876	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+H"	1.007276
"685121"	1835.112176	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+H"	1.007276
"1361107"	612.375576	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H"	1.007276
"131444"	612.375576	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+2H"	2.014552
"571734"	918.059726	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+2H"	2.014552
"1041989"	306.691426	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2H"	2.014552
"207703"	408.586142666667	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+3H"	3.021828
"654558"	612.375576	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+3H"	3.021828
"1172687"	204.796709333333	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+3H"	3.021828
"439366"	1240.770423	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+NH4"	18.033823
"796592"	1852.138723	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+NH4"	18.033823
"1696574"	629.402123	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+NH4"	18.033823
"344122"	620.8888495	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+H+NH4"	19.041099
"736910"	926.5729995	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+H+NH4"	19.041099
"1491947"	315.2046995	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H+NH4"	19.041099
"408037"	1245.725818	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+Na"	22.989218
"766396"	1857.094118	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+Na"	22.989218
"1618022"	634.357518	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Na"	22.989218
"326723"	623.366547	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+H+Na"	23.996494
"719142"	929.050697	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+H+Na"	23.996494
"1476489"	317.682397	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H+Na"	23.996494
"1068360"	212.124023333333	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2H+Na"	25.00377
"1271937"	644.401786	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+CH3OH+H"	33.033486
"390832"	1261.699758	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+K"	38.963158
"753405"	1873.068058	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+K"	38.963158
"1554489"	650.331458	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+K"	38.963158
"306683"	631.353517	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+H+K"	39.970434
"705305"	937.037667	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+H+K"	39.970434
"1461267"	325.669367	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H+K"	39.970434
"251279"	1264.770426	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+ACN+H"	42.033826
"1225504"	653.402126	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+ACN+H"	42.033826
"1209186"	327.204701	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+ACN+2H"	43.041102
"203394"	1267.70776	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+2Na-H"	44.97116
"643195"	1879.07606	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+2Na-H"	44.97116
"1145723"	656.33946	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2Na-H"	44.97116
"179533"	634.357518	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+2Na"	45.978436
"620187"	940.041668	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+2Na"	45.978436
"1119315"	328.673368	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2Na"	45.978436
"1402842"	219.451337333333	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H+2Na"	46.985712
"1443711"	658.381046	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H+HCOOH"	47.012746
"235516"	639.39054	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+3H2O+2H"	56.04448
"1522197"	672.43309	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+IsoProp+H"	61.06479
"421520"	642.344488	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+Na+K"	61.952376
"784339"	948.028638	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+Na+K"	61.952376
"1679944"	336.660338	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Na+K"	61.952376
"266669"	1286.752368	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+ACN+Na"	64.015768
"1241122"	675.384068	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+ACN+Na"	64.015768
"1725506"	675.407593	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+NH4+HCOOH"	64.039293
"1190859"	226.778651333333	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+3Na"	68.967654
"1664034"	680.362988	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Na+HCOOH"	68.994688
"166520"	1299.65564	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+2K-H"	76.91904
"601706"	1911.02394	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+2K-H"	76.91904
"1086219"	688.28734	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2K-H"	76.91904
"144498"	650.331458	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"2M+2K"	77.926316
"584423"	956.015608	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"3M+2K"	77.926316
"1074770"	344.647308	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2K"	77.926316
"1111262"	690.301892	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2K+H"	78.933592
"1345460"	690.389507	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+DMSO+H"	79.021207
"1020797"	694.428676	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2ACN+H"	83.060376
"1537465"	695.422308	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+IsoProp+Na+H"	84.054008
"997473"	347.717976	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+2ACN+2H"	84.067652
"1593070"	696.336928	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+K+HCOOH"	84.968628
"1417636"	726.368438	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+H+CF3COOH"	115.000138
"1154485"	368.231251	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+3ACN+2H"	125.094202
"1701851"	743.394985	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+NH4+CF3COOH"	132.026685
"1636408"	748.35038	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+Na+CF3COOH"	136.98208
"1577528"	764.32432	"C10015"	"Zizyphine A"	"C33H49N5O6"	"611.3683"	"M+K+CF3COOH"	152.95602
"804615"	597.3526	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M"	0
"984712"	578.33421	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-H2O-H"	-19.01839
"70765"	397.227790666667	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M-3H"	-3.021828
"510328"	596.345324	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M-3H"	-3.021828
"890315"	198.110257333333	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-3H"	-3.021828
"13999"	596.345324	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M-2H"	-2.014552
"454654"	895.021624	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M-2H"	-2.014552
"831008"	297.669024	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-2H"	-2.014552
"92821"	1193.697924	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M-H"	-1.007276
"532624"	1791.050524	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M-H"	-1.007276
"910990"	596.345324	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-H"	-1.007276
"62125"	1210.724471	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M-2H+NH4"	16.019271
"501562"	1808.077071	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M-2H+NH4"	16.019271
"876447"	613.371871	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-2H+NH4"	16.019271
"45441"	1215.679866	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M-2H+Na"	20.974666
"475162"	1813.032466	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M-2H+Na"	20.974666
"854056"	618.327266	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-2H+Na"	20.974666
"1626872"	618.327266	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Na-2H"	20.974666
"100120"	614.333663	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M-H+Cl"	33.962126
"541866"	913.009963	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M-H+Cl"	33.962126
"934289"	315.657363	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-H+Cl"	33.962126
"281605"	1229.674602	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+Cl"	34.969402
"671839"	1827.027202	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+Cl"	34.969402
"1284968"	632.322002	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Cl"	34.969402
"28253"	1231.653806	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M-2H+K"	36.948606
"469638"	1829.006406	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M-2H+K"	36.948606
"848047"	634.301206	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-2H+K"	36.948606
"1569107"	634.301206	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+K-2H"	36.948606
"956625"	642.350794	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-H+HCOOH"	44.998194
"375206"	1239.703401	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+HCOOH-H"	44.998201
"361037"	1253.719051	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+Hac-H"	59.013851
"1505006"	656.366451	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Hac-H"	59.013851
"974049"	664.332751	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-H+NaCOOH"	66.980151
"122903"	632.322002	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+2Cl"	69.938804
"553715"	930.998302	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+2Cl"	69.938804
"1026161"	333.645702	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2Cl"	69.938804
"1247562"	676.271485	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Br"	78.918885
"1312199"	678.327472	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Cl+HCOOH"	80.974872
"1334972"	700.309429	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Cl+NaCOOH"	102.956829
"925741"	710.338186	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M-H+CF3COOH"	112.985586
"1304179"	746.314864	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Cl+CF3COOH"	148.962264
"1382739"	562.339924	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H-2H2O"	-35.012676
"1398111"	580.3499	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H-H2O"	-17.0027
"294633"	1195.712476	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+H"	1.007276
"687057"	1793.065076	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+H"	1.007276
"1361581"	598.359876	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H"	1.007276
"134471"	598.359876	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+2H"	2.014552
"571844"	897.036176	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+2H"	2.014552
"1043194"	299.683576	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2H"	2.014552
"208907"	399.242342666667	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+3H"	3.021828
"654668"	598.359876	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+3H"	3.021828
"1172433"	200.124809333333	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+3H"	3.021828
"437902"	1212.739023	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+NH4"	18.033823
"798889"	1810.091623	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+NH4"	18.033823
"1694496"	615.386423	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+NH4"	18.033823
"342410"	606.8731495	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+H+NH4"	19.041099
"736291"	905.5494495	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+H+NH4"	19.041099
"1491207"	308.1968495	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H+NH4"	19.041099
"406605"	1217.694418	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+Na"	22.989218
"763226"	1815.047018	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+Na"	22.989218
"1614604"	620.341818	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Na"	22.989218
"328658"	609.350847	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+H+Na"	23.996494
"721806"	908.027147	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+H+Na"	23.996494
"1476763"	310.674547	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H+Na"	23.996494
"1068393"	207.452123333333	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2H+Na"	25.00377
"1271275"	630.386086	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+CH3OH+H"	33.033486
"389849"	1233.668358	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+K"	38.963158
"753394"	1831.020958	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+K"	38.963158
"1553259"	636.315758	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+K"	38.963158
"306791"	617.337817	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+H+K"	39.970434
"705416"	916.014117	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+H+K"	39.970434
"1457412"	318.661517	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H+K"	39.970434
"250032"	1236.739026	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+ACN+H"	42.033826
"1224561"	639.386426	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+ACN+H"	42.033826
"1209531"	320.196851	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+ACN+2H"	43.041102
"202765"	1239.67636	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+2Na-H"	44.97116
"642691"	1837.02896	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+2Na-H"	44.97116
"1140726"	642.32376	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2Na-H"	44.97116
"178548"	620.341818	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+2Na"	45.978436
"618108"	919.018118	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+2Na"	45.978436
"1119424"	321.665518	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2Na"	45.978436
"1402951"	214.779437333333	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H+2Na"	46.985712
"1442364"	644.365346	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H+HCOOH"	47.012746
"234855"	625.37484	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+3H2O+2H"	56.04448
"1520121"	658.41739	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+IsoProp+H"	61.06479
"418350"	628.328788	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+Na+K"	61.952376
"783721"	927.005088	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+Na+K"	61.952376
"1680946"	329.652488	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Na+K"	61.952376
"265115"	1258.720968	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+ACN+Na"	64.015768
"1240702"	661.368368	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+ACN+Na"	64.015768
"1725616"	661.391893	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+NH4+HCOOH"	64.039293
"1189876"	222.106751333333	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+3Na"	68.967654
"1660864"	666.347288	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Na+HCOOH"	68.994688
"165539"	1271.62424	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+2K-H"	76.91904
"606192"	1868.97684	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+2K-H"	76.91904
"1087423"	674.27164	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2K-H"	76.91904
"144971"	636.315758	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"2M+2K"	77.926316
"584170"	934.992058	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"3M+2K"	77.926316
"1074151"	337.639458	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2K"	77.926316
"1111372"	676.286192	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2K+H"	78.933592
"1345570"	676.373807	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+DMSO+H"	79.021207
"1020300"	680.412976	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2ACN+H"	83.060376
"1538427"	681.406608	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+IsoProp+Na+H"	84.054008
"999770"	340.710126	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+2ACN+2H"	84.067652
"1593180"	682.321228	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+K+HCOOH"	84.968628
"1417746"	712.352738	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+H+CF3COOH"	115.000138
"1154595"	361.223401	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+3ACN+2H"	125.094202
"1701961"	729.379285	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+NH4+CF3COOH"	132.026685
"1636518"	734.33468	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+Na+CF3COOH"	136.98208
"1574357"	750.30862	"C10016"	"Zizyphine F"	"C32H47N5O6"	"597.3526"	"M+K+CF3COOH"	152.95602
"804725"	538.09	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M"	0
"980448"	519.07161	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-H2O-H"	-19.01839
"67595"	357.719390666667	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M-3H"	-3.021828
"512624"	537.082724	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M-3H"	-3.021828
"887144"	178.356057333333	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-3H"	-3.021828
"13012"	537.082724	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H"	-2.014552
"450752"	806.127724	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H"	-2.014552
"831847"	268.037724	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-2H"	-2.014552
"92563"	1075.172724	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M-H"	-1.007276
"531997"	1613.262724	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M-H"	-1.007276
"909685"	537.082724	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-H"	-1.007276
"61624"	1092.199271	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+NH4"	16.019271
"501554"	1630.289271	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+NH4"	16.019271
"878745"	554.109271	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+NH4"	16.019271
"44457"	1097.154666	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+Na"	20.974666
"478552"	1635.244666	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+Na"	20.974666
"854166"	559.064666	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+Na"	20.974666
"1626982"	559.064666	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Na-2H"	20.974666
"101323"	555.071063	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M-H+Cl"	33.962126
"544163"	824.116063	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M-H+Cl"	33.962126
"937679"	286.026063	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-H+Cl"	33.962126
"279160"	1111.149402	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+Cl"	34.969402
"672314"	1649.239402	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+Cl"	34.969402
"1283621"	573.059402	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl"	34.969402
"28730"	1113.128606	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+K"	36.948606
"469021"	1651.218606	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+K"	36.948606
"845364"	575.038606	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+K"	36.948606
"1567393"	575.038606	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+K-2H"	36.948606
"952363"	583.088194	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-H+HCOOH"	44.998194
"373855"	1121.178201	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+HCOOH-H"	44.998201
"359562"	1135.193851	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+Hac-H"	59.013851
"1504021"	597.103851	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Hac-H"	59.013851
"973502"	605.070151	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-H+NaCOOH"	66.980151
"119733"	573.059402	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Cl"	69.938804
"554919"	842.104402	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Cl"	69.938804
"1025907"	304.014402	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2Cl"	69.938804
"1243298"	617.008885	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Br"	78.918885
"1313402"	619.064872	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+HCOOH"	80.974872
"1335487"	641.046829	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+NaCOOH"	102.956829
"925972"	651.075586	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M-H+CF3COOH"	112.985586
"1303782"	687.052264	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+CF3COOH"	148.962264
"1381820"	503.077324	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H-2H2O"	-35.012676
"1395423"	521.0873	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H-H2O"	-17.0027
"296567"	1077.187276	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+H"	1.007276
"687893"	1615.277276	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+H"	1.007276
"1353305"	539.097276	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H"	1.007276
"129110"	539.097276	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+2H"	2.014552
"571954"	808.142276	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+2H"	2.014552
"1040024"	270.052276	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2H"	2.014552
"207924"	359.733942666667	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H"	3.021828
"652591"	539.097276	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+3H"	3.021828
"1172543"	180.370609333333	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+3H"	3.021828
"438738"	1094.213823	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+NH4"	18.033823
"798999"	1632.303823	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+NH4"	18.033823
"1694606"	556.123823	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4"	18.033823
"343613"	547.6105495	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+NH4"	19.041099
"737494"	816.6555495	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+NH4"	19.041099
"1492727"	278.5655495	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H+NH4"	19.041099
"407813"	1099.169218	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na"	22.989218
"762242"	1637.259218	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na"	22.989218
"1613621"	561.079218	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Na"	22.989218
"329378"	550.088247	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+Na"	23.996494
"722647"	819.133247	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+Na"	23.996494
"1475617"	281.043247	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H+Na"	23.996494
"1068423"	187.697923333333	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2H+Na"	25.00377
"1271022"	571.123486	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+CH3OH+H"	33.033486
"389959"	1115.143158	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+K"	38.963158
"752897"	1653.233158	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+K"	38.963158
"1552640"	577.053158	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+K"	38.963158
"305808"	558.075217	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+K"	39.970434
"705405"	827.120217	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+K"	39.970434
"1458616"	289.030217	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H+K"	39.970434
"250017"	1118.213826	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+H"	42.033826
"1222850"	580.123826	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+H"	42.033826
"1209399"	290.565551	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+2H"	43.041102
"202998"	1121.15116	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na-H"	44.97116
"637331"	1659.24116	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na-H"	44.97116
"1139742"	583.06116	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na-H"	44.97116
"179751"	561.079218	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na"	45.978436
"618218"	830.124218	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na"	45.978436
"1121721"	292.034218	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na"	45.978436
"1403061"	195.025237333333	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H+2Na"	46.985712
"1442474"	585.102746	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H+HCOOH"	47.012746
"234358"	566.11224	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H2O+2H"	56.04448
"1522053"	599.15479	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+H"	61.06479
"419189"	569.066188	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na+K"	61.952376
"784924"	838.111188	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na+K"	61.952376
"1680893"	300.021188	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+K"	61.952376
"265833"	1140.195768	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+Na"	64.015768
"1240853"	602.105768	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+Na"	64.015768
"1726455"	602.129293	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+HCOOH"	64.039293
"1189986"	202.352551333333	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+3Na"	68.967654
"1660974"	607.084688	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+HCOOH"	68.994688
"166742"	1153.09904	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K-H"	76.91904
"610675"	1691.18904	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K-H"	76.91904
"1087533"	615.00904	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2K-H"	76.91904
"145810"	577.053158	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K"	77.926316
"583552"	846.098158	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K"	77.926316
"1071345"	308.008158	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2K"	77.926316
"1109295"	617.023592	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2K+H"	78.933592
"1345680"	617.111207	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+DMSO+H"	79.021207
"1021140"	621.150376	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+H"	83.060376
"1538536"	622.144008	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+Na+H"	84.054008
"1000973"	311.078826	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+2H"	84.067652
"1593290"	623.058628	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+K+HCOOH"	84.968628
"1417856"	653.090138	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+H+CF3COOH"	115.000138
"1154705"	331.592101	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+3ACN+2H"	125.094202
"1702071"	670.116685	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+CF3COOH"	132.026685
"1634249"	675.07208	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+CF3COOH"	136.98208
"1574467"	691.04602	"C10017"	"Agathisflavone;68-Biapigenin"	"C30H18O10"	"538.09"	"M+K+CF3COOH"	152.95602
"804835"	538.09	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M"	0
"982745"	519.07161	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-H2O-H"	-19.01839
"67705"	357.719390666667	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M-3H"	-3.021828
"508359"	537.082724	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M-3H"	-3.021828
"883974"	178.356057333333	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-3H"	-3.021828
"13122"	537.082724	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H"	-2.014552
"451955"	806.127724	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H"	-2.014552
"829405"	268.037724	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-2H"	-2.014552
"91823"	1075.172724	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M-H"	-1.007276
"531865"	1613.262724	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M-H"	-1.007276
"908577"	537.082724	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-H"	-1.007276
"60034"	1092.199271	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+NH4"	16.019271
"499592"	1630.289271	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+NH4"	16.019271
"874484"	554.109271	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+NH4"	16.019271
"43110"	1097.154666	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+Na"	20.974666
"479753"	1635.244666	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+Na"	20.974666
"854276"	559.064666	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+Na"	20.974666
"1623812"	559.064666	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Na-2H"	20.974666
"100340"	555.071063	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M-H+Cl"	33.962126
"537713"	824.116063	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M-H+Cl"	33.962126
"937789"	286.026063	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-H+Cl"	33.962126
"277811"	1111.149402	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+Cl"	34.969402
"671693"	1649.239402	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+Cl"	34.969402
"1282271"	573.059402	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl"	34.969402
"24827"	1113.128606	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+K"	36.948606
"465484"	1651.218606	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+K"	36.948606
"845107"	575.038606	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+K"	36.948606
"1567864"	575.038606	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+K-2H"	36.948606
"953559"	583.088194	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-H+HCOOH"	44.998194
"372868"	1121.178201	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+HCOOH-H"	44.998201
"357847"	1135.193851	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+Hac-H"	59.013851
"1503398"	597.103851	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Hac-H"	59.013851
"969844"	605.070151	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-H+NaCOOH"	66.980151
"114375"	573.059402	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Cl"	69.938804
"557216"	842.104402	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Cl"	69.938804
"1024558"	304.014402	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2Cl"	69.938804
"1244500"	617.008885	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Br"	78.918885
"1310597"	619.064872	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+HCOOH"	80.974872
"1334664"	641.046829	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+NaCOOH"	102.956829
"924260"	651.075586	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M-H+CF3COOH"	112.985586
"1303647"	687.052264	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+CF3COOH"	148.962264
"1380589"	503.077324	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H-2H2O"	-35.012676
"1394439"	521.0873	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H-H2O"	-17.0027
"296557"	1077.187276	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+H"	1.007276
"682169"	1615.277276	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+H"	1.007276
"1354873"	539.097276	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H"	1.007276
"128127"	539.097276	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+2H"	2.014552
"567322"	808.142276	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+2H"	2.014552
"1039770"	270.052276	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2H"	2.014552
"207670"	359.733942666667	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H"	3.021828
"651608"	539.097276	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+3H"	3.021828
"1173017"	180.370609333333	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+3H"	3.021828
"438482"	1094.213823	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+NH4"	18.033823
"797651"	1632.303823	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+NH4"	18.033823
"1693623"	556.123823	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4"	18.033823
"341901"	547.6105495	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+NH4"	19.041099
"734325"	816.6555495	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+NH4"	19.041099
"1492046"	278.5655495	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H+NH4"	19.041099
"408164"	1099.169218	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na"	22.989218
"764538"	1637.259218	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na"	22.989218
"1612638"	561.079218	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Na"	22.989218
"328150"	550.088247	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+Na"	23.996494
"720935"	819.133247	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+Na"	23.996494
"1475848"	281.043247	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H+Na"	23.996494
"1066909"	187.697923333333	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2H+Na"	25.00377
"1270402"	571.123486	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+CH3OH+H"	33.033486
"390068"	1115.143158	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+K"	38.963158
"751061"	1653.233158	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+K"	38.963158
"1552749"	577.053158	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+K"	38.963158
"308105"	558.075217	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+K"	39.970434
"703812"	827.120217	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+K"	39.970434
"1460548"	289.030217	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H+K"	39.970434
"249154"	1118.213826	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+H"	42.033826
"1223688"	580.123826	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+H"	42.033826
"1208658"	290.565551	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+2H"	43.041102
"201893"	1121.15116	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na-H"	44.97116
"640720"	1659.24116	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na-H"	44.97116
"1139852"	583.06116	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na-H"	44.97116
"179860"	561.079218	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na"	45.978436
"620514"	830.124218	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na"	45.978436
"1120739"	292.034218	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na"	45.978436
"1405352"	195.025237333333	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H+2Na"	46.985712
"1440394"	585.102746	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H+HCOOH"	47.012746
"230454"	566.11224	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H2O+2H"	56.04448
"1521433"	599.15479	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+H"	61.06479
"420392"	569.066188	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na+K"	61.952376
"782117"	838.111188	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na+K"	61.952376
"1679912"	300.021188	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+K"	61.952376
"264608"	1140.195768	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+Na"	64.015768
"1239505"	602.105768	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+Na"	64.015768
"1726567"	602.129293	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+HCOOH"	64.039293
"1192284"	202.352551333333	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+3Na"	68.967654
"1662177"	607.084688	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+HCOOH"	68.994688
"166851"	1153.09904	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K-H"	76.91904
"609692"	1691.18904	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K-H"	76.91904
"1092017"	615.00904	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2K-H"	76.91904
"144098"	577.053158	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K"	77.926316
"583298"	846.098158	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K"	77.926316
"1072548"	308.008158	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2K"	77.926316
"1109405"	617.023592	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2K+H"	78.933592
"1345790"	617.111207	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+DMSO+H"	79.021207
"1019547"	621.150376	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+H"	83.060376
"1536823"	622.144008	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+Na+H"	84.054008
"998896"	311.078826	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+2H"	84.067652
"1593400"	623.058628	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+K+HCOOH"	84.968628
"1421246"	653.090138	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+H+CF3COOH"	115.000138
"1154815"	331.592101	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+3ACN+2H"	125.094202
"1702181"	670.116685	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+CF3COOH"	132.026685
"1636738"	675.07208	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+CF3COOH"	136.98208
"1574577"	691.04602	"C10018"	"Amentoflavone;38-Biapigenin"	"C30H18O10"	"538.09"	"M+K+CF3COOH"	152.95602
"804945"	298.0841	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M"	0
"981761"	279.06571	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-H2O-H"	-19.01839
"64899"	197.715457333333	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M-3H"	-3.021828
"508469"	297.076824	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M-3H"	-3.021828
"885177"	98.3540906666667	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-3H"	-3.021828
"12503"	297.076824	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M-2H"	-2.014552
"452065"	446.118874	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M-2H"	-2.014552
"828774"	148.034774	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-2H"	-2.014552
"90590"	595.160924	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M-H"	-1.007276
"532943"	893.245024	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M-H"	-1.007276
"909661"	297.076824	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-H"	-1.007276
"60143"	612.187471	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M-2H+NH4"	16.019271
"498973"	910.271571	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M-2H+NH4"	16.019271
"878114"	314.103371	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-2H+NH4"	16.019271
"45649"	617.142866	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M-2H+Na"	20.974666
"480956"	915.226966	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M-2H+Na"	20.974666
"856573"	319.058766	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-2H+Na"	20.974666
"1630482"	319.058766	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Na-2H"	20.974666
"100450"	315.065163	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M-H+Cl"	33.962126
"537823"	464.107213	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M-H+Cl"	33.962126
"937899"	166.023113	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-H+Cl"	33.962126
"278285"	631.137602	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+Cl"	34.969402
"674357"	929.221702	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+Cl"	34.969402
"1286392"	333.053502	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Cl"	34.969402
"27124"	633.116806	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M-2H+K"	36.948606
"467781"	931.200906	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M-2H+K"	36.948606
"845582"	335.032706	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-2H+K"	36.948606
"1567612"	335.032706	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+K-2H"	36.948606
"953669"	343.082294	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-H+HCOOH"	44.998194
"373707"	641.166401	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+HCOOH-H"	44.998201
"359050"	655.182051	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+Hac-H"	59.013851
"1503508"	357.097951	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Hac-H"	59.013851
"967767"	365.064251	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-H+NaCOOH"	66.980151
"114850"	333.053502	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+2Cl"	69.938804
"554774"	482.095552	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+2Cl"	69.938804
"1023209"	184.011452	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2Cl"	69.938804
"1244609"	377.002985	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Br"	78.918885
"1310341"	379.058972	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Cl+HCOOH"	80.974872
"1333678"	401.040929	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Cl+NaCOOH"	102.956829
"923276"	411.069686	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M-H+CF3COOH"	112.985586
"1303393"	447.046364	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Cl+CF3COOH"	148.962264
"1382320"	263.071424	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H-2H2O"	-35.012676
"1396736"	281.0814	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H-H2O"	-17.0027
"296059"	597.175476	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+H"	1.007276
"682279"	895.259576	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+H"	1.007276
"1354619"	299.091376	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H"	1.007276
"129695"	299.091376	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+2H"	2.014552
"569255"	448.133426	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+2H"	2.014552
"1039876"	150.049326	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2H"	2.014552
"207050"	199.730009333333	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+3H"	3.021828
"647342"	299.091376	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+3H"	3.021828
"1172763"	100.368642666667	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+3H"	3.021828
"439321"	614.202023	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+NH4"	18.033823
"797032"	912.286123	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+NH4"	18.033823
"1694463"	316.117923	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+NH4"	18.033823
"340918"	307.6046495	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+H+NH4"	19.041099
"734435"	456.6466995	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+H+NH4"	19.041099
"1492562"	158.5625995	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H+NH4"	19.041099
"407666"	619.157418	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+Na"	22.989218
"764649"	917.241518	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+Na"	22.989218
"1611655"	321.073318	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Na"	22.989218
"328749"	310.082347	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+H+Na"	23.996494
"722544"	459.124397	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+H+Na"	23.996494
"1476691"	161.040297	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H+Na"	23.996494
"1067949"	107.695956666667	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2H+Na"	25.00377
"1272292"	331.117586	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+CH3OH+H"	33.033486
"391273"	635.131358	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+K"	38.963158
"748985"	933.215458	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+K"	38.963158
"1548850"	337.047258	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+K"	38.963158
"310402"	318.069317	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+H+K"	39.970434
"703922"	467.111367	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+H+K"	39.970434
"1458836"	169.027267	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H+K"	39.970434
"248535"	638.202026	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+ACN+H"	42.033826
"1224647"	340.117926	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+ACN+H"	42.033826
"1209133"	170.562601	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+ACN+2H"	43.041102
"202732"	641.13936	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+2Na-H"	44.97116
"641924"	939.22346	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+2Na-H"	44.97116
"1139962"	343.05526	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2Na-H"	44.97116
"178512"	321.073318	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+2Na"	45.978436
"618437"	470.115368	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+2Na"	45.978436
"1121942"	172.031268	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2Na"	45.978436
"1401454"	115.023270666667	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H+2Na"	46.985712
"1437586"	345.096846	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H+HCOOH"	47.012746
"229468"	326.10634	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+3H2O+2H"	56.04448
"1518624"	359.14889	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+IsoProp+H"	61.06479
"415030"	329.060288	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+Na+K"	61.952376
"781498"	478.102338	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+Na+K"	61.952376
"1675646"	180.018238	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Na+K"	61.952376
"261438"	660.183968	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+ACN+Na"	64.015768
"1236699"	362.099868	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+ACN+Na"	64.015768
"1726314"	362.123393	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+NH4+HCOOH"	64.039293
"1188019"	122.350584666667	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+3Na"	68.967654
"1659007"	367.078788	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Na+HCOOH"	68.994688
"166962"	673.08724	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+2K-H"	76.91904
"608709"	971.17134	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+2K-H"	76.91904
"1092127"	375.00314	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2K-H"	76.91904
"146760"	337.047258	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"2M+2K"	77.926316
"583408"	486.089308	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"3M+2K"	77.926316
"1070957"	188.005208	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2K"	77.926316
"1106232"	377.017692	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2K+H"	78.933592
"1340431"	377.105307	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+DMSO+H"	79.021207
"1013336"	381.144476	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2ACN+H"	83.060376
"1536933"	382.138108	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+IsoProp+Na+H"	84.054008
"999006"	191.075876	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+2ACN+2H"	84.067652
"1593510"	383.052728	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+K+HCOOH"	84.968628
"1421356"	413.084238	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+H+CF3COOH"	115.000138
"1154925"	211.589151	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+3ACN+2H"	125.094202
"1702291"	430.110785	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+NH4+CF3COOH"	132.026685
"1636848"	435.06618	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+Na+CF3COOH"	136.98208
"1574687"	451.04012	"C10019"	"Apigenin 74-dimethyl ether;Apigenin dimethylether"	"C17H14O5"	"298.0841"	"M+K+CF3COOH"	152.95602
"808335"	518.106	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M"	0
"984058"	499.08761	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-H2O-H"	-19.01839
"67925"	344.396724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M-3H"	-3.021828
"503110"	517.098724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M-3H"	-3.021828
"884194"	171.694724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-3H"	-3.021828
"14435"	517.098724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M-2H"	-2.014552
"451812"	776.151724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M-2H"	-2.014552
"829978"	258.045724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-2H"	-2.014552
"91063"	1035.204724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M-H"	-1.007276
"530621"	1553.310724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M-H"	-1.007276
"910256"	517.098724	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-H"	-1.007276
"60986"	1052.231271	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M-2H+NH4"	16.019271
"498720"	1570.337271	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M-2H+NH4"	16.019271
"877981"	534.125271	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-2H+NH4"	16.019271
"44789"	1057.186666	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M-2H+Na"	20.974666
"482890"	1575.292666	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M-2H+Na"	20.974666
"859963"	539.080666	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-2H+Na"	20.974666
"1630592"	539.080666	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Na-2H"	20.974666
"103840"	535.087063	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M-H+Cl"	33.962126
"544493"	794.140063	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M-H+Cl"	33.962126
"934728"	276.034063	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-H+Cl"	33.962126
"279853"	1071.181402	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+Cl"	34.969402
"674588"	1589.287402	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+Cl"	34.969402
"1284678"	553.075402	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Cl"	34.969402
"28328"	1073.160606	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M-2H+K"	36.948606
"466796"	1591.266606	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M-2H+K"	36.948606
"844599"	555.054606	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-2H+K"	36.948606
"1568450"	555.054606	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+K-2H"	36.948606
"952686"	563.104194	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-H+HCOOH"	44.998194
"373088"	1081.210201	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+HCOOH-H"	44.998201
"358067"	1095.225851	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+Hac-H"	59.013851
"1502523"	577.119851	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Hac-H"	59.013851
"970063"	585.086151	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-H+NaCOOH"	66.980151
"116783"	553.075402	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+2Cl"	69.938804
"554884"	812.128402	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+2Cl"	69.938804
"1023319"	294.022402	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2Cl"	69.938804
"1243626"	597.024885	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Br"	78.918885
"1310451"	599.080872	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Cl+HCOOH"	80.974872
"1324670"	621.062829	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Cl+NaCOOH"	102.956829
"921199"	631.091586	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M-H+CF3COOH"	112.985586
"1303136"	667.068264	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Cl+CF3COOH"	148.962264
"1381417"	483.093324	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H-2H2O"	-35.012676
"1394296"	501.1033	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H-H2O"	-17.0027
"295805"	1037.219276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+H"	1.007276
"684213"	1555.325276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+H"	1.007276
"1354729"	519.113276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H"	1.007276
"130898"	519.113276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+2H"	2.014552
"572282"	778.166276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+2H"	2.014552
"1044361"	260.060276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2H"	2.014552
"208253"	346.411276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+3H"	3.021828
"647452"	519.113276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+3H"	3.021828
"1171051"	173.709276	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+3H"	3.021828
"436517"	1054.245823	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+NH4"	18.033823
"795321"	1572.351823	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+NH4"	18.033823
"1692751"	536.139823	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+NH4"	18.033823
"339935"	527.6265495	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+H+NH4"	19.041099
"734545"	786.6795495	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+H+NH4"	19.041099
"1492671"	268.5735495	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H+NH4"	19.041099
"407045"	1059.201218	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+Na"	22.989218
"764758"	1577.307218	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+Na"	22.989218
"1611765"	541.095218	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Na"	22.989218
"329468"	530.104247	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+H+Na"	23.996494
"722125"	789.157247	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+H+Na"	23.996494
"1476876"	271.051247	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H+Na"	23.996494
"1065664"	181.03659	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2H+Na"	25.00377
"1272077"	551.139486	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+CH3OH+H"	33.033486
"392804"	1075.175158	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+K"	38.963158
"748731"	1593.281158	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+K"	38.963158
"1548959"	557.069158	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+K"	38.963158
"307960"	538.091217	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+H+K"	39.970434
"697465"	797.144217	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+H+K"	39.970434
"1454569"	279.038217	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H+K"	39.970434
"247548"	1078.245826	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+ACN+H"	42.033826
"1223537"	560.139826	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+ACN+H"	42.033826
"1207785"	280.573551	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+ACN+2H"	43.041102
"199194"	1081.18316	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+2Na-H"	44.97116
"638751"	1599.28916	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+2Na-H"	44.97116
"1135696"	563.07716	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2Na-H"	44.97116
"175708"	541.095218	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+2Na"	45.978436
"616362"	800.148218	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+2Na"	45.978436
"1118773"	282.042218	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2Na"	45.978436
"1402291"	188.363904	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H+2Na"	46.985712
"1436603"	565.118746	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H+HCOOH"	47.012746
"228485"	546.12824	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+3H2O+2H"	56.04448
"1517641"	579.17079	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+IsoProp+H"	61.06479
"414047"	549.082188	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+Na+K"	61.952376
"781244"	808.135188	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+Na+K"	61.952376
"1676848"	290.029188	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Na+K"	61.952376
"262275"	1100.227768	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+ACN+Na"	64.015768
"1238632"	582.121768	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+ACN+Na"	64.015768
"1727153"	582.145293	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+NH4+HCOOH"	64.039293
"1190682"	195.691218	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+3Na"	68.967654
"1662763"	587.100688	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Na+HCOOH"	68.994688
"168166"	1113.13104	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+2K-H"	76.91904
"609912"	1631.23704	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+2K-H"	76.91904
"1093333"	595.02504	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2K-H"	76.91904
"151245"	557.069158	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"2M+2K"	77.926316
"587527"	816.122158	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"3M+2K"	77.926316
"1071674"	298.016158	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2K"	77.926316
"1106342"	597.039592	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2K+H"	78.933592
"1343821"	597.127207	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+DMSO+H"	79.021207
"1012352"	601.166376	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2ACN+H"	83.060376
"1537044"	602.160008	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+IsoProp+Na+H"	84.054008
"1002396"	301.086826	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+2ACN+2H"	84.067652
"1595807"	603.074628	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+K+HCOOH"	84.968628
"1418186"	633.106138	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+H+CF3COOH"	115.000138
"1157222"	321.600101	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+3ACN+2H"	125.094202
"1702400"	650.132685	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+NH4+CF3COOH"	132.026685
"1636958"	655.08808	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+Na+CF3COOH"	136.98208
"1575890"	671.06202	"C10020"	"Apigenin 7-(6-malonylglucoside);Apigenin 7-O-(6-malonyl-beta-D-glucoside)"	"C24H22O13"	"518.106"	"M+K+CF3COOH"	152.95602
"805165"	346.0689	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M"	0
"985261"	327.05051	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-H2O-H"	-19.01839
"65848"	229.705324	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M-3H"	-3.021828
"505408"	345.061624	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M-3H"	-3.021828
"885397"	114.349024	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-3H"	-3.021828
"12723"	345.061624	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M-2H"	-2.014552
"453380"	518.096074	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M-2H"	-2.014552
"830088"	172.027174	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-2H"	-2.014552
"91173"	691.130524	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M-H"	-1.007276
"529638"	1037.199424	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M-H"	-1.007276
"903066"	345.061624	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-H"	-1.007276
"56349"	708.157071	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M-2H+NH4"	16.019271
"498827"	1054.225971	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M-2H+NH4"	16.019271
"875174"	362.088171	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-2H+NH4"	16.019271
"44536"	713.112466	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M-2H+Na"	20.974666
"483000"	1059.181366	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M-2H+Na"	20.974666
"853513"	367.043566	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-2H+Na"	20.974666
"1630702"	367.043566	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Na-2H"	20.974666
"103950"	363.049963	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M-H+Cl"	33.962126
"541323"	536.084413	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M-H+Cl"	33.962126
"931558"	190.015513	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-H+Cl"	33.962126
"281422"	727.107202	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+Cl"	34.969402
"675350"	1073.176102	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+Cl"	34.969402
"1288113"	381.038302	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Cl"	34.969402
"29531"	729.086406	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M-2H+K"	36.948606
"469093"	1075.155306	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M-2H+K"	36.948606
"845803"	383.017506	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-2H+K"	36.948606
"1568194"	383.017506	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+K-2H"	36.948606
"953889"	391.067094	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-H+HCOOH"	44.998194
"367730"	737.136001	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+HCOOH-H"	44.998201
"358174"	751.151651	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+Hac-H"	59.013851
"1504819"	405.082751	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Hac-H"	59.013851
"970173"	413.049051	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-H+NaCOOH"	66.980151
"120172"	381.038302	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+2Cl"	69.938804
"554630"	554.072752	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+2Cl"	69.938804
"1024522"	208.003852	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2Cl"	69.938804
"1245194"	424.987785	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Br"	78.918885
"1308007"	427.043772	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Cl+HCOOH"	80.974872
"1328060"	449.025729	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Cl+NaCOOH"	102.956829
"921305"	459.054486	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M-H+CF3COOH"	112.985586
"1296922"	495.031164	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Cl+CF3COOH"	148.962264
"1378365"	311.056224	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H-2H2O"	-35.012676
"1394406"	329.0662	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H-H2O"	-17.0027
"292266"	693.145076	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+H"	1.007276
"684687"	1039.213976	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+H"	1.007276
"1356662"	347.076176	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H"	1.007276
"132831"	347.076176	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+2H"	2.014552
"572392"	520.110626	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+2H"	2.014552
"1044471"	174.041726	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2H"	2.014552
"206176"	231.719876	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+3H"	3.021828
"647562"	347.076176	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+3H"	3.021828
"1171161"	116.363576	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+3H"	3.021828
"437720"	710.171623	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+NH4"	18.033823
"796524"	1056.240523	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+NH4"	18.033823
"1690674"	364.102723	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+NH4"	18.033823
"337859"	355.5894495	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+H+NH4"	19.041099
"735748"	528.6238995	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+H+NH4"	19.041099
"1492574"	182.5549995	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H+NH4"	19.041099
"406062"	715.127018	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+Na"	22.989218
"762682"	1061.195918	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+Na"	22.989218
"1612968"	369.058118	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Na"	22.989218
"329971"	358.067147	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+H+Na"	23.996494
"722783"	531.101597	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+H+Na"	23.996494
"1476745"	185.032697	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H+Na"	23.996494
"1065774"	123.69089	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2H+Na"	25.00377
"1268907"	379.102386	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+CH3OH+H"	33.033486
"392426"	731.100958	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+K"	38.963158
"754194"	1077.169858	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+K"	38.963158
"1547977"	385.032058	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+K"	38.963158
"308070"	366.054117	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+H+K"	39.970434
"700491"	539.088567	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+H+K"	39.970434
"1454679"	193.019667	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H+K"	39.970434
"248751"	734.171626	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+ACN+H"	42.033826
"1223650"	388.102726	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+ACN+H"	42.033826
"1207896"	194.555001	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+ACN+2H"	43.041102
"201129"	737.10896	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+2Na-H"	44.97116
"637769"	1083.17786	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+2Na-H"	44.97116
"1135806"	391.04006	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2Na-H"	44.97116
"176911"	369.058118	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+2Na"	45.978436
"618660"	542.092568	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+2Na"	45.978436
"1122165"	196.023668	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2Na"	45.978436
"1401312"	131.018204	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H+2Na"	46.985712
"1437806"	393.081646	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H+HCOOH"	47.012746
"227502"	374.09114	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+3H2O+2H"	56.04448
"1516658"	407.13369	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+IsoProp+H"	61.06479
"415253"	377.045088	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+Na+K"	61.952376
"784394"	550.079538	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+Na+K"	61.952376
"1679147"	204.010638	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Na+K"	61.952376
"261289"	756.153568	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+ACN+Na"	64.015768
"1238378"	410.084668	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+ACN+Na"	64.015768
"1725805"	410.108193	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+NH4+HCOOH"	64.039293
"1191517"	138.345518	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+3Na"	68.967654
"1660319"	415.063588	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Na+HCOOH"	68.994688
"167181"	769.05684	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+2K-H"	76.91904
"603462"	1115.12574	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+2K-H"	76.91904
"1092350"	422.98794	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2K-H"	76.91904
"151355"	385.032058	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"2M+2K"	77.926316
"587637"	558.066508	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"3M+2K"	77.926316
"1077619"	211.997608	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2K"	77.926316
"1107546"	425.002492	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2K+H"	78.933592
"1339557"	425.090107	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+DMSO+H"	79.021207
"1011369"	429.129276	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2ACN+H"	83.060376
"1533872"	430.122908	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+IsoProp+Na+H"	84.054008
"1002509"	215.068276	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+2ACN+2H"	84.067652
"1600292"	431.037528	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+K+HCOOH"	84.968628
"1423764"	461.069038	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+H+CF3COOH"	115.000138
"1157334"	235.581551	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+3ACN+2H"	125.094202
"1702510"	478.095585	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+NH4+CF3COOH"	132.026685
"1637067"	483.05098	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+Na+CF3COOH"	136.98208
"1574907"	499.02492	"C10021"	"Axillarin;Quercetagetin 36-dimethyl ether"	"C17H14O8"	"346.0689"	"M+K+CF3COOH"	152.95602
"805275"	316.0583	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M"	0
"982091"	297.03991	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"63770"	209.698257333333	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"503696"	315.051024	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"882227"	104.345490666667	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"9552"	315.051024	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"449114"	473.080174	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"826915"	157.021874	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"88001"	631.109324	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"527560"	947.167624	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"903176"	315.051024	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"54273"	648.135871	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"494925"	964.194171	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"871635"	332.077571	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"40630"	653.091266	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"478006"	969.149566	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"853623"	337.032966	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1629719"	337.032966	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"100780"	333.039363	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"541433"	491.068513	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"931668"	175.010213	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"281774"	667.086002	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"675502"	983.144302	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1288142"	351.027702	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"28548"	669.065206	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"469932"	985.123506	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"847007"	353.006906	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1568304"	353.006906	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"951813"	361.056494	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"367840"	677.114801	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"356098"	691.130451	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1500557"	375.072151	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"967004"	383.038451	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"120282"	351.027702	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"554376"	509.056852	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1024268"	192.998552	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1244940"	394.977185	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1306660"	397.033172	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1329263"	419.015129	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"919228"	429.043886	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1297032"	465.020564	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1378474"	281.045624	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1396336"	299.0556	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"289094"	633.123876	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"683703"	949.182176	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1355678"	317.065576	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"128567"	317.065576	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"568127"	475.094726	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1044581"	159.036426	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"208108"	211.712809333333	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"646577"	317.065576	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1171271"	106.360042666667	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"436736"	650.150423	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"796634"	966.208723	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1688591"	334.092123	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"340153"	325.5788495	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"734765"	483.6079995	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1489679"	167.5496995	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"403985"	655.105818	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"764978"	971.164118	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1611985"	339.047518	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"329878"	328.056547	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"722102"	486.085697	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1476287"	170.027397	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1064791"	113.687356666667	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1268288"	349.091786	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"386138"	671.079758	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"750412"	987.138058	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1548816"	355.021458	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"310732"	336.043517	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"695499"	494.072667	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1454791"	178.014367	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"245582"	674.150426	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1218294"	358.092126	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1203999"	179.549701	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"199417"	677.08776	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"638972"	993.14606	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1134458"	361.02946	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"177021"	339.047518	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"618770"	497.076668	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1122275"	181.018368	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1401422"	121.014670666667	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1435730"	363.071046	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"225426"	344.08054	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1513486"	377.12309	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"415363"	347.034488	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"782925"	505.063638	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1675974"	189.005338	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"262496"	696.132368	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1235203"	380.074068	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1725913"	380.097593	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1189443"	128.341984666667	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1660431"	385.052988	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"164013"	709.03564	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"604667"	1025.09394	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1089181"	392.97734	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"150372"	355.021458	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"587747"	513.050608	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1081010"	196.992308	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1109845"	394.991892	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1346230"	395.079507	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1014762"	399.118676	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1532889"	400.112308	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"1003713"	200.062976	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1598215"	401.026928	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1420594"	431.058438	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1151975"	220.576251	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1699341"	448.084985	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1643738"	453.04038	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1571857"	469.01432	"C10022"	"Azaleatin;Quercetin 5-methyl ether"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"805385"	270.0528	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M"	0
"985481"	251.03441	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"66068"	179.027924	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"504170"	269.045524	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"883430"	89.010324	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"12942"	269.045524	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"452503"	404.071924	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"827754"	134.019124	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"89204"	539.098324	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"527670"	809.151124	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"905473"	269.045524	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"53290"	556.124871	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"493942"	826.177671	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"871745"	286.072071	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"39647"	561.080266	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"479209"	831.133066	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"859929"	291.027466	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1629829"	291.027466	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"104170"	287.033863	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"541543"	422.060263	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"935058"	152.007463	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"275808"	575.075002	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"675406"	845.127802	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1287889"	305.022202	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"28658"	577.054206	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"470285"	847.107006	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"847967"	307.001406	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1568414"	307.001406	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"951923"	315.050994	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"367950"	585.103801	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"355115"	599.119451	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1501760"	329.066651	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"968207"	337.032951	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"120392"	305.022202	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"555214"	440.048602	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1022918"	169.995802	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1245049"	348.971685	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1306768"	351.027672	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1327186"	373.009629	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"916422"	383.038386	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1297141"	419.015064	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1376397"	235.040124	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1391707"	253.0501	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"284830"	541.112876	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"683813"	811.165676	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1354694"	271.060076	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"130861"	271.060076	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"568237"	406.086476	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1041045"	136.033676	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"205665"	181.042476	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"645592"	271.060076	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1172474"	91.024876	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"437940"	558.139423	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"796744"	828.192223	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1693074"	288.086623	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"341357"	279.5733495	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"734875"	414.5997495	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1490884"	144.5469495	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"407011"	563.094818	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"763995"	833.147618	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1612095"	293.042018	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"328583"	282.051047	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"721857"	417.077447	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1476158"	147.024647	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1064901"	98.35219	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1268398"	303.086286	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"388434"	579.068758	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"752345"	849.121558	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1549290"	309.015958	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"307562"	290.038017	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"693420"	425.064417	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1447606"	155.011617	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"244597"	582.139426	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1220590"	312.086626	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1207386"	156.546951	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"199527"	585.07676	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"636896"	855.12956	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1133840"	315.02396	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"176035"	293.042018	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"618880"	428.068418	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1122385"	158.015618	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1401532"	105.679504	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1432557"	317.065546	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"221161"	298.07504	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1510316"	331.11759	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"412191"	301.028988	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"780844"	436.055388	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1670618"	166.002588	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"262606"	604.121368	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1228754"	334.068568	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1720919"	334.092093	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1186271"	113.006818	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1657261"	339.047488	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"159019"	617.02464	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"605871"	887.07744	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1090384"	346.97184	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"152669"	309.015958	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"588950"	444.042358	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1077839"	173.989558	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1109955"	348.986392	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1346340"	349.074007	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1013778"	353.113176	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1535185"	354.106808	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"1003823"	177.060226	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1598325"	355.021428	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1421797"	385.052938	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1152085"	197.573501	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1699451"	402.079485	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1643848"	407.03488	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1572939"	423.00882	"C10023"	"Baicalein;567-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"805495"	312.0998	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M"	0
"985591"	293.08141	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-H2O-H"	-19.01839
"66177"	207.059257333333	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M-3H"	-3.021828
"505738"	311.092524	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M-3H"	-3.021828
"884633"	103.025990666667	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-3H"	-3.021828
"9772"	311.092524	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M-2H"	-2.014552
"449334"	467.142424	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M-2H"	-2.014552
"828228"	155.042624	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-2H"	-2.014552
"89314"	623.192324	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M-H"	-1.007276
"527780"	935.292124	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M-H"	-1.007276
"903396"	311.092524	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-H"	-1.007276
"56679"	640.218871	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M-2H+NH4"	16.019271
"495145"	952.318671	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M-2H+NH4"	16.019271
"872948"	328.119071	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-2H+NH4"	16.019271
"40850"	645.174266	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M-2H+Na"	20.974666
"479317"	957.274066	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M-2H+Na"	20.974666
"860403"	333.074466	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-2H+Na"	20.974666
"1629939"	333.074466	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Na-2H"	20.974666
"102094"	329.080863	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M-H+Cl"	33.962126
"541653"	485.130763	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M-H+Cl"	33.962126
"935168"	173.030963	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-H+Cl"	33.962126
"273730"	659.169002	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+Cl"	34.969402
"672714"	971.268802	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+Cl"	34.969402
"1287431"	347.069202	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Cl"	34.969402
"22207"	661.148206	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M-2H+K"	36.948606
"468329"	973.248006	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M-2H+K"	36.948606
"845041"	349.048406	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-2H+K"	36.948606
"1566338"	349.048406	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+K-2H"	36.948606
"950940"	357.097994	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-H+HCOOH"	44.998194
"369153"	669.197801	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+HCOOH-H"	44.998201
"355953"	683.213451	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+Hac-H"	59.013851
"1502235"	371.113651	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Hac-H"	59.013851
"964671"	379.079951	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-H+NaCOOH"	66.980151
"111387"	347.069202	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+2Cl"	69.938804
"552403"	503.119102	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+2Cl"	69.938804
"1022906"	191.019302	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2Cl"	69.938804
"1241995"	391.018685	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Br"	78.918885
"1305177"	393.074672	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Cl+HCOOH"	80.974872
"1327296"	415.056629	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Cl+NaCOOH"	102.956829
"916532"	425.085386	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M-H+CF3COOH"	112.985586
"1295062"	461.062064	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Cl+CF3COOH"	148.962264
"1376507"	277.087124	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H-2H2O"	-35.012676
"1392909"	295.0971	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H-H2O"	-17.0027
"287128"	625.206876	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+H"	1.007276
"686840"	937.306676	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+H"	1.007276
"1355897"	313.107076	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H"	1.007276
"128421"	313.107076	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+2H"	2.014552
"568712"	469.156976	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+2H"	2.014552
"1041521"	157.057176	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2H"	2.014552
"207236"	209.073809333333	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+3H"	3.021828
"645702"	313.107076	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+3H"	3.021828
"1171489"	105.040542666667	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+3H"	3.021828
"433670"	642.233423	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+NH4"	18.033823
"799406"	954.333223	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+NH4"	18.033823
"1693184"	330.133623	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+NH4"	18.033823
"342560"	321.6203495	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+H+NH4"	19.041099
"736078"	477.6702495	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+H+NH4"	19.041099
"1489899"	165.5704495	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H+NH4"	19.041099
"407485"	647.188818	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+Na"	22.989218
"764105"	959.288618	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+Na"	22.989218
"1613298"	335.089018	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Na"	22.989218
"329539"	324.098047	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+H+Na"	23.996494
"722652"	480.147947	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+H+Na"	23.996494
"1476956"	168.048147	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H+Na"	23.996494
"1065011"	112.367856666667	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2H+Na"	25.00377
"1269601"	345.133286	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+CH3OH+H"	33.033486
"391460"	663.162758	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+K"	38.963158
"753183"	975.262558	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+K"	38.963158
"1549400"	351.062958	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+K"	38.963158
"304392"	332.085017	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+H+K"	39.970434
"694624"	488.134917	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+H+K"	39.970434
"1449539"	176.035117	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H+K"	39.970434
"243613"	666.233426	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+ACN+H"	42.033826
"1220700"	354.133626	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+ACN+H"	42.033826
"1204581"	177.570451	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+ACN+2H"	43.041102
"196357"	669.17076	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+2Na-H"	44.97116
"635913"	981.27056	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+2Na-H"	44.97116
"1135043"	357.07096	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2Na-H"	44.97116
"176145"	335.089018	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+2Na"	45.978436
"616801"	491.138918	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+2Na"	45.978436
"1120308"	179.039118	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2Na"	45.978436
"1402734"	119.695170666667	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H+2Na"	46.985712
"1434853"	359.112546	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H+HCOOH"	47.012746
"224550"	340.12204	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+3H2O+2H"	56.04448
"1512612"	373.16459	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+IsoProp+H"	61.06479
"414487"	343.075988	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+Na+K"	61.952376
"780954"	499.125888	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+Na+K"	61.952376
"1666353"	187.026088	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Na+K"	61.952376
"252023"	688.215368	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+ACN+Na"	64.015768
"1228864"	376.115568	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+ACN+Na"	64.015768
"1716653"	376.139093	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+NH4+HCOOH"	64.039293
"1187473"	127.022484666667	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+3Na"	68.967654
"1655184"	381.094488	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Na+HCOOH"	68.994688
"158155"	701.11864	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+2K-H"	76.91904
"604888"	1013.21844	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+2K-H"	76.91904
"1090494"	389.01884	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2K-H"	76.91904
"152779"	351.062958	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"2M+2K"	77.926316
"595377"	507.112858	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"3M+2K"	77.926316
"1077949"	195.013058	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2K"	77.926316
"1110065"	391.033392	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2K+H"	78.933592
"1337337"	391.121007	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+DMSO+H"	79.021207
"1010606"	395.160176	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2ACN+H"	83.060376
"1535295"	396.153808	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+IsoProp+Na+H"	84.054008
"1002836"	198.083726	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+2ACN+2H"	84.067652
"1594060"	397.068428	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+K+HCOOH"	84.968628
"1418627"	427.099938	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+H+CF3COOH"	115.000138
"1147455"	218.597001	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+3ACN+2H"	125.094202
"1699561"	444.126485	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+NH4+CF3COOH"	132.026685
"1643958"	449.08188	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+Na+CF3COOH"	136.98208
"1573049"	465.05582	"C10024"	"Baicalein 567-trimethyl ether"	"C18H16O5"	"312.0998"	"M+K+CF3COOH"	152.95602
"815447"	446.0849	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M"	0
"976954"	427.06651	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-H2O-H"	-19.01839
"66288"	296.382657333333	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M-3H"	-3.021828
"510226"	445.077624	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M-3H"	-3.021828
"895199"	147.687690666667	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-3H"	-3.021828
"12071"	445.077624	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M-2H"	-2.014552
"452727"	668.120074	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M-2H"	-2.014552
"830164"	222.035174	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-2H"	-2.014552
"89424"	891.162524	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M-H"	-1.007276
"526800"	1337.247424	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M-H"	-1.007276
"902412"	445.077624	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-H"	-1.007276
"54602"	908.189071	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M-2H+NH4"	16.019271
"496351"	1354.273971	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M-2H+NH4"	16.019271
"870870"	462.104171	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-2H+NH4"	16.019271
"43879"	913.144466	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M-2H+Na"	20.974666
"480520"	1359.229366	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M-2H+Na"	20.974666
"859790"	467.059566	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-2H+Na"	20.974666
"1627864"	467.059566	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Na-2H"	20.974666
"102204"	463.065963	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M-H+Cl"	33.962126
"539579"	686.108413	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M-H+Cl"	33.962126
"940753"	240.023513	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-H+Cl"	33.962126
"280402"	927.139202	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+Cl"	34.969402
"671732"	1373.224102	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+Cl"	34.969402
"1287904"	481.054302	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Cl"	34.969402
"23410"	929.118406	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M-2H+K"	36.948606
"465159"	1375.203306	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M-2H+K"	36.948606
"841866"	483.033506	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-2H+K"	36.948606
"1567542"	483.033506	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+K-2H"	36.948606
"949957"	491.083094	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-H+HCOOH"	44.998194
"368172"	937.168001	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+HCOOH-H"	44.998201
"350232"	951.183651	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+Hac-H"	59.013851
"1498699"	505.098751	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Hac-H"	59.013851
"962957"	513.065051	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-H+NaCOOH"	66.980151
"113683"	481.054302	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+2Cl"	69.938804
"552880"	704.096752	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+2Cl"	69.938804
"1024597"	258.011852	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2Cl"	69.938804
"1245636"	525.003785	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Br"	78.918885
"1313193"	527.059772	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Cl+HCOOH"	80.974872
"1330691"	549.041729	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Cl+NaCOOH"	102.956829
"919559"	559.070486	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M-H+CF3COOH"	112.985586
"1300647"	595.047164	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Cl+CF3COOH"	148.962264
"1377712"	411.072224	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H-2H2O"	-35.012676
"1387916"	429.0822	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H-H2O"	-17.0027
"293800"	893.177076	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+H"	1.007276
"678200"	1339.261976	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+H"	1.007276
"1355281"	447.092176	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H"	1.007276
"128897"	447.092176	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+2H"	2.014552
"570645"	670.134626	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+2H"	2.014552
"1039443"	224.049726	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2H"	2.014552
"208441"	298.397209333333	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+3H"	3.021828
"653473"	447.092176	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+3H"	3.021828
"1171603"	149.702242666667	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+3H"	3.021828
"437428"	910.203623	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+NH4"	18.033823
"793684"	1356.288523	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+NH4"	18.033823
"1695125"	464.118723	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+NH4"	18.033823
"341577"	455.6054495	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+H+NH4"	19.041099
"738418"	678.6478995	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+H+NH4"	19.041099
"1491833"	232.5629995	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H+NH4"	19.041099
"407475"	915.159018	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+Na"	22.989218
"769777"	1361.243918	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+Na"	22.989218
"1618304"	469.074118	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Na"	22.989218
"329696"	458.083147	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+H+Na"	23.996494
"722727"	681.125597	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+H+Na"	23.996494
"1476749"	235.040697	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H+Na"	23.996494
"1065851"	157.029556666667	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2H+Na"	25.00377
"1267893"	479.118386	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+CH3OH+H"	33.033486
"390479"	931.132958	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+K"	38.963158
"751834"	1377.217858	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+K"	38.963158
"1542953"	485.048058	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+K"	38.963158
"302316"	466.070117	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+H+K"	39.970434
"703489"	689.112567	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+H+K"	39.970434
"1459867"	243.027667	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H+K"	39.970434
"247009"	934.203626	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+ACN+H"	42.033826
"1221902"	488.118726	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+ACN+H"	42.033826
"1204691"	244.563001	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+ACN+2H"	43.041102
"198655"	937.14096	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+2Na-H"	44.97116
"638213"	1383.22586	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+2Na-H"	44.97116
"1139531"	491.05606	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2Na-H"	44.97116
"181727"	469.074118	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+2Na"	45.978436
"625299"	692.116568	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+2Na"	45.978436
"1124793"	246.031668	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2Na"	45.978436
"1406130"	164.356870666667	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H+2Na"	46.985712
"1438247"	493.097646	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H+HCOOH"	47.012746
"230131"	474.10714	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+3H2O+2H"	56.04448
"1518193"	507.14969	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+IsoProp+H"	61.06479
"418977"	477.061088	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+Na+K"	61.952376
"774508"	700.103538	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+Na+K"	61.952376
"1674120"	254.018638	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Na+K"	61.952376
"254078"	956.185568	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+ACN+Na"	64.015768
"1231159"	510.100668	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+ACN+Na"	64.015768
"1718951"	510.124193	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+NH4+HCOOH"	64.039293
"1183215"	171.684184666667	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+3Na"	68.967654
"1653105"	515.079588	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Na+HCOOH"	68.994688
"162158"	969.08884	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+2K-H"	76.91904
"606094"	1415.17374	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+2K-H"	76.91904
"1091698"	523.00394	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2K-H"	76.91904
"151794"	485.048058	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"2M+2K"	77.926316
"593547"	708.090508	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"3M+2K"	77.926316
"1074779"	262.005608	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2K"	77.926316
"1110175"	525.018492	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2K+H"	78.933592
"1343280"	525.106107	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+DMSO+H"	79.021207
"1018380"	529.145276	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2ACN+H"	83.060376
"1536498"	530.138908	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+IsoProp+Na+H"	84.054008
"1001856"	265.076276	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+2ACN+2H"	84.067652
"1594170"	531.053528	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+K+HCOOH"	84.968628
"1422017"	561.085038	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+H+CF3COOH"	115.000138
"1158867"	285.589551	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+3ACN+2H"	125.094202
"1699671"	578.111585	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+NH4+CF3COOH"	132.026685
"1646258"	583.06698	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+Na+CF3COOH"	136.98208
"1578627"	599.04092	"C10025"	"Baicalin;Baicalein 7-O-glucuronide"	"C21H18O11"	"446.0849"	"M+K+CF3COOH"	152.95602
"806808"	580.1428	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M"	0
"982532"	561.12441	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-H2O-H"	-19.01839
"69677"	385.754590666667	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M-3H"	-3.021828
"512522"	579.135524	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M-3H"	-3.021828
"894701"	192.373657333333	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-3H"	-3.021828
"13274"	579.135524	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M-2H"	-2.014552
"451744"	869.206924	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M-2H"	-2.014552
"831367"	289.064124	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-2H"	-2.014552
"89534"	1159.278324	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M-H"	-1.007276
"528003"	1739.421124	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M-H"	-1.007276
"905801"	579.135524	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-H"	-1.007276
"55805"	1176.304871	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M-2H+NH4"	16.019271
"496460"	1756.447671	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M-2H+NH4"	16.019271
"870980"	596.162071	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-2H+NH4"	16.019271
"44353"	1181.260266	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M-2H+Na"	20.974666
"478443"	1761.403066	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M-2H+Na"	20.974666
"861357"	601.117466	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-2H+Na"	20.974666
"1628703"	601.117466	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Na-2H"	20.974666
"102314"	597.123863	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M-H+Cl"	33.962126
"540782"	887.195263	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M-H+Cl"	33.962126
"938676"	307.052463	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-H+Cl"	33.962126
"277232"	1195.255002	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+Cl"	34.969402
"671842"	1775.397802	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+Cl"	34.969402
"1287284"	615.112202	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Cl"	34.969402
"22427"	1197.234206	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M-2H+K"	36.948606
"466362"	1777.377006	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M-2H+K"	36.948606
"841976"	617.091406	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-2H+K"	36.948606
"1567652"	617.091406	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+K-2H"	36.948606
"950067"	625.140994	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-H+HCOOH"	44.998194
"368282"	1205.283801	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+HCOOH-H"	44.998201
"349247"	1219.299451	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+Hac-H"	59.013851
"1498809"	639.156651	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Hac-H"	59.013851
"961243"	647.122951	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-H+NaCOOH"	66.980151
"112698"	615.112202	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+2Cl"	69.938804
"551532"	905.183602	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+2Cl"	69.938804
"1023248"	325.040802	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2Cl"	69.938804
"1246840"	659.061685	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Br"	78.918885
"1315489"	661.117672	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Cl+HCOOH"	80.974872
"1330801"	683.099629	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Cl+NaCOOH"	102.956829
"919669"	693.128386	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M-H+CF3COOH"	112.985586
"1300754"	729.105064	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Cl+CF3COOH"	148.962264
"1378551"	545.130124	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H-2H2O"	-35.012676
"1388026"	563.1401	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H-H2O"	-17.0027
"286619"	1161.292876	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+H"	1.007276
"679041"	1741.435676	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+H"	1.007276
"1356120"	581.150076	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H"	1.007276
"130100"	581.150076	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+2H"	2.014552
"568569"	871.221476	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+2H"	2.014552
"1039555"	291.078676	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2H"	2.014552
"207817"	387.769142666667	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+3H"	3.021828
"644828"	581.150076	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+3H"	3.021828
"1171713"	194.388209333333	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+3H"	3.021828
"433892"	1178.319423	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+NH4"	18.033823
"790514"	1758.462223	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+NH4"	18.033823
"1695235"	598.176623	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+NH4"	18.033823
"341687"	589.6633495	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+H+NH4"	19.041099
"737032"	879.7347495	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+H+NH4"	19.041099
"1489027"	299.5919495	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H+NH4"	19.041099
"406613"	1183.274818	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+Na"	22.989218
"767607"	1763.417618	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+Na"	22.989218
"1616437"	603.132018	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Na"	22.989218
"328905"	592.141047	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+H+Na"	23.996494
"721452"	882.212447	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+H+Na"	23.996494
"1476366"	302.069647	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H+Na"	23.996494
"1066325"	201.715523333333	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2H+Na"	25.00377
"1269823"	613.176286	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+CH3OH+H"	33.033486
"388765"	1199.248758	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+K"	38.963158
"748664"	1779.391558	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+K"	38.963158
"1542695"	619.105958	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+K"	38.963158
"301332"	600.128017	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+H+K"	39.970434
"703598"	890.199417	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+H+K"	39.970434
"1455966"	310.056617	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H+K"	39.970434
"244932"	1202.319426	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+ACN+H"	42.033826
"1217636"	622.176626	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+ACN+H"	42.033826
"1205892"	311.591951	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+ACN+2H"	43.041102
"198762"	1205.25676	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+2Na-H"	44.97116
"636135"	1785.39956	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+2Na-H"	44.97116
"1138547"	625.11396	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2Na-H"	44.97116
"180744"	603.132018	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+2Na"	45.978436
"619211"	893.203418	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+2Na"	45.978436
"1122716"	313.060618	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2Na"	45.978436
"1402960"	209.042837333333	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H+2Na"	46.985712
"1440544"	627.155546	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H+HCOOH"	47.012746
"226960"	608.16504	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+3H2O+2H"	56.04448
"1518303"	641.20759	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+IsoProp+H"	61.06479
"415805"	611.118988	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+Na+K"	61.952376
"774618"	901.190388	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+Na+K"	61.952376
"1666574"	321.047588	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Na+K"	61.952376
"252729"	1224.301368	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+ACN+Na"	64.015768
"1233450"	644.158568	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+ACN+Na"	64.015768
"1717967"	644.182093	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+NH4+HCOOH"	64.039293
"1180772"	216.370151333333	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+3Na"	68.967654
"1652121"	649.137488	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Na+HCOOH"	68.994688
"162268"	1237.20464	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+2K-H"	76.91904
"604016"	1817.34744	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+2K-H"	76.91904
"1088528"	657.06184	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2K-H"	76.91904
"145344"	619.105958	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"2M+2K"	77.926316
"587093"	909.177358	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"3M+2K"	77.926316
"1073065"	329.034558	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2K"	77.926316
"1108098"	659.076392	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2K+H"	78.933592
"1343390"	659.164007	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+DMSO+H"	79.021207
"1014107"	663.203176	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2ACN+H"	83.060376
"1536608"	664.196808	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+IsoProp+Na+H"	84.054008
"1000873"	332.105226	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+2ACN+2H"	84.067652
"1594280"	665.111428	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+K+HCOOH"	84.968628
"1422127"	695.142938	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+H+CF3COOH"	115.000138
"1158977"	352.618501	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+3ACN+2H"	125.094202
"1699781"	712.169485	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+NH4+CF3COOH"	132.026685
"1646368"	717.12488	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+Na+CF3COOH"	136.98208
"1579830"	733.09882	"C10026"	"Carlinoside"	"C26H28O15"	"580.1428"	"M+K+CF3COOH"	152.95602
"805825"	378.0506	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M"	0
"985922"	359.03221	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-H2O-H"	-19.01839
"67601"	251.026457333333	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M-3H"	-3.021828
"512632"	377.043324	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M-3H"	-3.021828
"893718"	125.009590666667	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-3H"	-3.021828
"12291"	377.043324	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M-2H"	-2.014552
"453676"	566.068624	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M-2H"	-2.014552
"830748"	188.018024	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-2H"	-2.014552
"89644"	755.093924	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M-H"	-1.007276
"527020"	1133.144524	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M-H"	-1.007276
"902633"	377.043324	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-H"	-1.007276
"58102"	772.120471	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M-2H+NH4"	16.019271
"496570"	1150.171071	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M-2H+NH4"	16.019271
"874370"	394.069871	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-2H+NH4"	16.019271
"44465"	777.075866	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M-2H+Na"	20.974666
"477460"	1155.126466	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M-2H+Na"	20.974666
"857456"	399.025266	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-2H+Na"	20.974666
"1629906"	399.025266	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Na-2H"	20.974666
"103517"	395.031663	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M-H+Cl"	33.962126
"540892"	584.056963	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M-H+Cl"	33.962126
"939513"	206.006363	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-H+Cl"	33.962126
"281353"	791.070602	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+Cl"	34.969402
"675111"	1169.121202	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+Cl"	34.969402
"1285449"	413.020002	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Cl"	34.969402
"28004"	793.049806	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M-2H+K"	36.948606
"468659"	1171.100406	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M-2H+K"	36.948606
"843180"	414.999206	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-2H+K"	36.948606
"1569949"	414.999206	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+K-2H"	36.948606
"954551"	423.048794	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-H+HCOOH"	44.998194
"370579"	801.099401	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+HCOOH-H"	44.998201
"351181"	815.115051	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+Hac-H"	59.013851
"1496367"	437.064451	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Hac-H"	59.013851
"959530"	445.030751	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-H+NaCOOH"	66.980151
"111353"	413.020002	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+2Cl"	69.938804
"550912"	602.045302	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+2Cl"	69.938804
"1024088"	223.994702	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2Cl"	69.938804
"1246950"	456.969485	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Br"	78.918885
"1314503"	459.025472	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Cl+HCOOH"	80.974872
"1329818"	481.007429	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Cl+NaCOOH"	102.956829
"919779"	491.036186	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M-H+CF3COOH"	112.985586
"1302322"	527.012864	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Cl+CF3COOH"	148.962264
"1377932"	343.037924	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H-2H2O"	-35.012676
"1392145"	361.0479	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H-H2O"	-17.0027
"290739"	757.108476	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+H"	1.007276
"680975"	1135.159076	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+H"	1.007276
"1356230"	379.057876	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H"	1.007276
"130214"	379.057876	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+2H"	2.014552
"571961"	568.083176	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+2H"	2.014552
"1039665"	190.032576	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2H"	2.014552
"208656"	253.041009333333	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+3H"	3.021828
"645669"	379.057876	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+3H"	3.021828
"1170729"	127.024142666667	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+3H"	3.021828
"428534"	774.135023	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+NH4"	18.033823
"793903"	1152.185623	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+NH4"	18.033823
"1690236"	396.084423	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+NH4"	18.033823
"341796"	387.5711495	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+H+NH4"	19.041099
"732031"	576.5964495	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+H+NH4"	19.041099
"1492528"	198.5458495	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H+NH4"	19.041099
"408303"	779.090418	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+Na"	22.989218
"769663"	1157.141018	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+Na"	22.989218
"1617277"	401.039818	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Na"	22.989218
"329670"	390.048847	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+H+Na"	23.996494
"722290"	579.074147	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+H+Na"	23.996494
"1476927"	201.023547	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H+Na"	23.996494
"1067165"	134.351456666667	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2H+Na"	25.00377
"1271879"	411.084086	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+CH3OH+H"	33.033486
"392035"	795.064358	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+K"	38.963158
"750961"	1173.114958	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+K"	38.963158
"1546453"	417.013758	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+K"	38.963158
"305817"	398.035817	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+H+K"	39.970434
"701522"	587.061117	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+H+K"	39.970434
"1460087"	209.010517	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H+K"	39.970434
"249417"	798.135026	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+ACN+H"	42.033826
"1222852"	420.084426	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+ACN+H"	42.033826
"1206734"	210.545851	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+ACN+2H"	43.041102
"198872"	801.07236	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+2Na-H"	44.97116
"636245"	1179.12296	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+2Na-H"	44.97116
"1138657"	423.02176	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2Na-H"	44.97116
"180854"	401.039818	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+2Na"	45.978436
"619321"	590.065118	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+2Na"	45.978436
"1121733"	212.014518	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2Na"	45.978436
"1403070"	141.678770666667	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H+2Na"	46.985712
"1440654"	425.063346	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H+HCOOH"	47.012746
"227070"	406.07284	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+3H2O+2H"	56.04448
"1517320"	439.11539	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+IsoProp+H"	61.06479
"420287"	409.026788	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+Na+K"	61.952376
"776915"	598.052088	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+Na+K"	61.952376
"1668872"	220.001488	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Na+K"	61.952376
"258666"	820.116968	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+ACN+Na"	64.015768
"1231375"	442.066368	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+ACN+Na"	64.015768
"1716985"	442.089893	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+NH4+HCOOH"	64.039293
"1183066"	149.006084666667	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+3Na"	68.967654
"1652959"	447.045288	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Na+HCOOH"	68.994688
"163471"	833.02024	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+2K-H"	76.91904
"607406"	1211.07084	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+2K-H"	76.91904
"1088638"	454.96964	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2K-H"	76.91904
"145454"	417.013758	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"2M+2K"	77.926316
"588297"	606.039058	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"3M+2K"	77.926316
"1074996"	227.988458	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2K"	77.926316
"1103831"	456.984192	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2K+H"	78.933592
"1338395"	457.071807	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+DMSO+H"	79.021207
"1014217"	461.110976	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2ACN+H"	83.060376
"1536718"	462.104608	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+IsoProp+Na+H"	84.054008
"1003166"	231.059126	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+2ACN+2H"	84.067652
"1597670"	463.019228	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+K+HCOOH"	84.968628
"1417862"	493.050738	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+H+CF3COOH"	115.000138
"1159087"	251.572401	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+3ACN+2H"	125.094202
"1703171"	510.077285	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+NH4+CF3COOH"	132.026685
"1646478"	515.03268	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+Na+CF3COOH"	136.98208
"1579940"	531.00662	"C10027"	"Chlorflavonin"	"C18H15ClO7"	"378.0506"	"M+K+CF3COOH"	152.95602
"801552"	254.0579	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M"	0
"983847"	235.03951	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"65528"	168.364657333333	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"508367"	253.050624	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"892373"	83.6786906666667	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"12404"	253.050624	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"447589"	380.079574	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"823203"	126.021674	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"87569"	507.108524	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"527132"	761.166424	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"903841"	253.050624	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"53842"	524.135071	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"494495"	778.192971	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"865734"	270.077171	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"41291"	529.090466	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"476477"	783.148366	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"857566"	275.032566	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1628922"	275.032566	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"106181"	271.038963	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"546106"	398.067913	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"937799"	144.010013	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"277452"	543.085202	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"668780"	797.143102	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1284466"	289.027302	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"24833"	545.064406	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"466582"	799.122306	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"840010"	291.006506	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1569697"	291.006506	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"954662"	299.056094	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"372512"	553.114001	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"354573"	567.129651	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1499030"	313.071751	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"961829"	321.038051	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"111830"	289.027302	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"550781"	416.056252	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1022497"	161.998352	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1247061"	332.976785	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1313522"	335.032772	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1332115"	357.014729	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"920988"	367.043486	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1300610"	403.020164	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1373670"	219.045224	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1387519"	237.0552	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"287933"	509.123076	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"681085"	763.180976	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1355249"	255.065176	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"129231"	255.065176	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"568063"	382.094126	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1039410"	128.036226	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"208767"	170.379209333333	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"644560"	255.065176	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1169746"	85.6932426666667	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"431925"	526.149623	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"791826"	780.207523	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1690346"	272.091723	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"338625"	263.5784495	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"731048"	390.6073995	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1489246"	136.5494995	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"407322"	531.105018	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"767469"	785.162918	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1617028"	277.047118	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"328524"	266.056147	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"721670"	393.085097	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1475738"	139.027197	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1064724"	93.0205566666667	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1269682"	287.091386	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"388983"	547.078958	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"745604"	801.136858	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1545470"	293.021058	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"304834"	274.043117	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"701632"	401.072067	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1458740"	147.014167	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"249165"	550.149626	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1223328"	296.091726	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1206115"	148.549501	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"197889"	553.08696	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"640367"	807.14486	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1143144"	299.02906	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"178778"	277.047118	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"620158"	404.076068	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1122932"	150.018168	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1403180"	100.347870666667	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1436023"	301.070646	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"226081"	282.08014	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1512322"	315.12269	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"412372"	285.034088	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"774472"	412.063038	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1670437"	158.005138	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"256589"	572.131568	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1230028"	318.073668	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1718550"	318.097193	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1180624"	107.675184666667	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1654525"	323.052588	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"160301"	585.03484	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"604236"	839.09274	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1088748"	330.97694	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"142648"	293.021058	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"588407"	420.050008	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1074012"	165.992108	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1101146"	332.991492	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1338141"	333.079107	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1012140"	337.118276	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1530266"	338.111908	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1002183"	169.062776	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1597780"	339.026528	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1419065"	369.058038	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1159197"	189.576051	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1699998"	386.084585	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1646588"	391.03998	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1580050"	407.01392	"C10028"	"Chrysin;57-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"802519"	282.0892	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M"	0
"980673"	263.07081	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-H2O-H"	-19.01839
"66731"	187.052190666667	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M-3H"	-3.021828
"507382"	281.081924	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M-3H"	-3.021828
"892848"	93.0224573333333	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-3H"	-3.021828
"13246"	281.081924	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M-2H"	-2.014552
"450980"	422.126524	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M-2H"	-2.014552
"827688"	140.037324	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-2H"	-2.014552
"89503"	563.171124	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M-H"	-1.007276
"530161"	845.260324	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M-H"	-1.007276
"906140"	281.081924	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-H"	-1.007276
"58327"	580.197671	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M-2H+NH4"	16.019271
"497887"	862.286871	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M-2H+NH4"	16.019271
"875687"	298.108471	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-2H+NH4"	16.019271
"42494"	585.153066	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M-2H+Na"	20.974666
"476587"	867.242266	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M-2H+Na"	20.974666
"857676"	303.063866	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-2H+Na"	20.974666
"1629032"	303.063866	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Na-2H"	20.974666
"106655"	299.070263	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M-H+Cl"	33.962126
"546216"	440.114863	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M-H+Cl"	33.962126
"940829"	158.025663	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-H+Cl"	33.962126
"281210"	599.147802	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+Cl"	34.969402
"674120"	881.237002	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+Cl"	34.969402
"1285669"	317.058602	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Cl"	34.969402
"27860"	601.127006	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M-2H+K"	36.948606
"468878"	883.216206	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M-2H+K"	36.948606
"842306"	319.037806	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-2H+K"	36.948606
"1566890"	319.037806	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+K-2H"	36.948606
"950397"	327.087394	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-H+HCOOH"	44.998194
"366425"	609.176601	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+HCOOH-H"	44.998201
"352495"	623.192251	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+Hac-H"	59.013851
"1498047"	341.103051	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Hac-H"	59.013851
"963762"	349.069351	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-H+NaCOOH"	66.980151
"111575"	317.058602	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+2Cl"	69.938804
"550075"	458.103202	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+2Cl"	69.938804
"1023580"	176.014002	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2Cl"	69.938804
"1245712"	361.008085	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Br"	78.918885
"1313634"	363.064072	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Cl+HCOOH"	80.974872
"1334050"	385.046029	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Cl+NaCOOH"	102.956829
"921098"	395.074786	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M-H+CF3COOH"	112.985586
"1298899"	431.051464	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Cl+CF3COOH"	148.962264
"1373780"	247.076524	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H-2H2O"	-35.012676
"1390181"	265.0865	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H-H2O"	-17.0027
"288044"	565.185676	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+H"	1.007276
"681923"	847.274876	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+H"	1.007276
"1355359"	283.096476	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H"	1.007276
"133715"	283.096476	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+2H"	2.014552
"569266"	424.141076	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+2H"	2.014552
"1040615"	142.051876	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2H"	2.014552
"207059"	189.066742666667	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+3H"	3.021828
"655007"	283.096476	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+3H"	3.021828
"1168760"	95.0370093333333	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+3H"	3.021828
"434224"	582.212223	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+NH4"	18.033823
"796313"	864.301423	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+NH4"	18.033823
"1695927"	300.123023	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+NH4"	18.033823
"341653"	291.6097495	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+H+NH4"	19.041099
"731158"	432.6543495	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+H+NH4"	19.041099
"1490446"	150.5651495	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H+NH4"	19.041099
"406943"	587.167618	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+Na"	22.989218
"768672"	869.256818	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+Na"	22.989218
"1616774"	305.078418	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Na"	22.989218
"329240"	294.087447	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+H+Na"	23.996494
"721902"	435.132047	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+H+Na"	23.996494
"1475843"	153.042847	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H+Na"	23.996494
"1065198"	102.364323333333	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2H+Na"	25.00377
"1269427"	315.122686	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+CH3OH+H"	33.033486
"390190"	603.141558	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+K"	38.963158
"744621"	885.230758	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+K"	38.963158
"1548861"	321.052358	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+K"	38.963158
"301664"	302.074417	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+H+K"	39.970434
"698462"	443.119017	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+H+K"	39.970434
"1459577"	161.029817	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H+K"	39.970434
"248909"	606.212226	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+ACN+H"	42.033826
"1224533"	324.123026	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+ACN+H"	42.033826
"1206589"	162.565151	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+ACN+2H"	43.041102
"199823"	609.14956	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+2Na-H"	44.97116
"639383"	891.23876	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+2Na-H"	44.97116
"1142889"	327.06036	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2Na-H"	44.97116
"178888"	305.078418	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+2Na"	45.978436
"620635"	446.123018	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+2Na"	45.978436
"1120858"	164.033818	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2Na"	45.978436
"1404385"	109.691637333333	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H+2Na"	46.985712
"1437593"	329.101946	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H+HCOOH"	47.012746
"224005"	310.11144	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+3H2O+2H"	56.04448
"1512068"	343.15399	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+IsoProp+H"	61.06479
"410664"	313.065388	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+Na+K"	61.952376
"776040"	454.109988	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+Na+K"	61.952376
"1670184"	172.020788	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Na+K"	61.952376
"257063"	628.194168	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+ACN+Na"	64.015768
"1231959"	346.104968	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+ACN+Na"	64.015768
"1718296"	346.128493	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+NH4+HCOOH"	64.039293
"1181465"	117.018951333333	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+3Na"	68.967654
"1652813"	351.083888	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Na+HCOOH"	68.994688
"159682"	641.09744	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+2K-H"	76.91904
"604346"	923.18664	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+2K-H"	76.91904
"1086670"	359.00824	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2K-H"	76.91904
"144581"	321.052358	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"2M+2K"	77.926316
"589610"	462.096958	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"3M+2K"	77.926316
"1071935"	180.007758	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2K"	77.926316
"1101864"	361.022792	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2K+H"	78.933592
"1338973"	361.110407	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+DMSO+H"	79.021207
"1007264"	365.149576	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2ACN+H"	83.060376
"1532562"	366.143208	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+IsoProp+Na+H"	84.054008
"1002293"	183.078426	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+2ACN+2H"	84.067652
"1594607"	367.057828	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+K+HCOOH"	84.968628
"1420268"	397.089338	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+H+CF3COOH"	115.000138
"1159307"	203.591701	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+3ACN+2H"	125.094202
"1702295"	414.115885	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+NH4+CF3COOH"	132.026685
"1646698"	419.07128	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+Na+CF3COOH"	136.98208
"1579067"	435.04522	"C10029"	"57-Dimethoxyflavone;Chrysin 57-dimethyl ether"	"C17H14O4"	"282.0892"	"M+K+CF3COOH"	152.95602
"801587"	374.1002	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M"	0
"979690"	355.08181	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-H2O-H"	-19.01839
"66838"	248.392857333333	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M-3H"	-3.021828
"517338"	373.092924	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M-3H"	-3.021828
"894783"	123.692790666667	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-3H"	-3.021828
"14815"	373.092924	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M-2H"	-2.014552
"453279"	560.143024	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M-2H"	-2.014552
"829989"	186.042824	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-2H"	-2.014552
"93875"	747.193124	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M-H"	-1.007276
"533189"	1121.293324	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M-H"	-1.007276
"909532"	373.092924	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-H"	-1.007276
"57344"	764.219671	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M-2H+NH4"	16.019271
"497996"	1138.319871	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M-2H+NH4"	16.019271
"872517"	390.119471	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-2H+NH4"	16.019271
"39324"	769.175066	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M-2H+Na"	20.974666
"473659"	1143.275266	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M-2H+Na"	20.974666
"863256"	395.074866	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-2H+Na"	20.974666
"1633438"	395.074866	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Na-2H"	20.974666
"109080"	391.081263	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M-H+Cl"	33.962126
"545597"	578.131363	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M-H+Cl"	33.962126
"941304"	204.031163	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-H+Cl"	33.962126
"280959"	783.169802	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+Cl"	34.969402
"673379"	1157.270002	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+Cl"	34.969402
"1286754"	409.069602	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Cl"	34.969402
"30037"	785.149006	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M-2H+K"	36.948606
"470083"	1159.249206	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M-2H+K"	36.948606
"846793"	411.048806	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-2H+K"	36.948606
"1569184"	411.048806	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+K-2H"	36.948606
"951601"	419.098394	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-H+HCOOH"	44.998194
"369816"	793.198601	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+HCOOH-H"	44.998201
"352605"	807.214251	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+Hac-H"	59.013851
"1498519"	433.114051	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Hac-H"	59.013851
"961685"	441.080351	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-H+NaCOOH"	66.980151
"113873"	409.069602	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+2Cl"	69.938804
"554529"	596.119702	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+2Cl"	69.938804
"1027339"	222.019502	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2Cl"	69.938804
"1248010"	453.019085	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Br"	78.918885
"1313746"	455.075072	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Cl+HCOOH"	80.974872
"1334932"	477.057029	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Cl+NaCOOH"	102.956829
"926515"	487.085786	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M-H+CF3COOH"	112.985586
"1301197"	523.062464	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Cl+CF3COOH"	148.962264
"1378265"	339.087524	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H-2H2O"	-35.012676
"1389199"	357.0975	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H-H2O"	-17.0027
"293259"	749.207676	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+H"	1.007276
"681305"	1123.307876	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+H"	1.007276
"1356562"	375.107476	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H"	1.007276
"133825"	375.107476	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+2H"	2.014552
"569012"	562.157576	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+2H"	2.014552
"1038904"	188.057376	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2H"	2.014552
"206805"	250.407409333333	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+3H"	3.021828
"655117"	375.107476	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+3H"	3.021828
"1168868"	125.707342666667	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+3H"	3.021828
"434334"	766.234223	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+NH4"	18.033823
"794237"	1140.334423	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+NH4"	18.033823
"1693487"	392.134023	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+NH4"	18.033823
"341399"	383.6207495	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+H+NH4"	19.041099
"736741"	570.6708495	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+H+NH4"	19.041099
"1489468"	196.5706495	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H+NH4"	19.041099
"405964"	771.189618	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+Na"	22.989218
"765503"	1145.289818	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+Na"	22.989218
"1617611"	397.089418	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Na"	22.989218
"328013"	386.098447	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+H+Na"	23.996494
"721524"	573.148547	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+H+Na"	23.996494
"1474616"	199.048347	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H+Na"	23.996494
"1063488"	133.034656666667	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2H+Na"	25.00377
"1269174"	407.133686	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+CH3OH+H"	33.033486
"387017"	787.163558	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+K"	38.963158
"753847"	1161.263758	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+K"	38.963158
"1545692"	413.063358	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+K"	38.963158
"306149"	394.085417	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+H+K"	39.970434
"706716"	581.135517	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+H+K"	39.970434
"1460051"	207.035317	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H+K"	39.970434
"250601"	790.234226	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+ACN+H"	42.033826
"1223182"	416.134026	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+ACN+H"	42.033826
"1206701"	208.570651	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+ACN+2H"	43.041102
"200665"	793.17156	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+2Na-H"	44.97116
"642414"	1167.27176	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+2Na-H"	44.97116
"1142999"	419.07136	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2Na-H"	44.97116
"185926"	397.089418	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+2Na"	45.978436
"619651"	584.139518	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+2Na"	45.978436
"1123157"	210.039318	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2Na"	45.978436
"1410692"	140.361970666667	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H+2Na"	46.985712
"1438796"	421.112946	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H+HCOOH"	47.012746
"224118"	402.12244	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+3H2O+2H"	56.04448
"1511084"	435.16499	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+IsoProp+H"	61.06479
"415148"	405.076388	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+Na+K"	61.952376
"776148"	592.126488	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+Na+K"	61.952376
"1671388"	218.026288	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Na+K"	61.952376
"252803"	812.216168	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+ACN+Na"	64.015768
"1230248"	438.115968	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+ACN+Na"	64.015768
"1718768"	438.139493	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+NH4+HCOOH"	64.039293
"1180844"	147.689284666667	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+3Na"	68.967654
"1653652"	443.094888	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Na+HCOOH"	68.994688
"172187"	825.11944	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+2K-H"	76.91904
"598989"	1199.21964	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+2K-H"	76.91904
"1086782"	451.01924	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2K-H"	76.91904
"150160"	413.063358	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"2M+2K"	77.926316
"588627"	600.113458	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"3M+2K"	77.926316
"1072046"	226.013258	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2K"	77.926316
"1101974"	453.033792	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2K+H"	78.933592
"1338360"	453.121407	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+DMSO+H"	79.021207
"1013452"	457.160576	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2ACN+H"	83.060376
"1532673"	458.154208	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+IsoProp+Na+H"	84.054008
"1002403"	229.083926	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+2ACN+2H"	84.067652
"1596906"	459.068828	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+K+HCOOH"	84.968628
"1426580"	489.100338	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+H+CF3COOH"	115.000138
"1159417"	249.597201	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+3ACN+2H"	125.094202
"1704592"	506.126885	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+NH4+CF3COOH"	132.026685
"1646808"	511.08228	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+Na+CF3COOH"	136.98208
"1576990"	527.05622	"C10030"	"Chrysosplenetin;Chrysosplenetin B;Quercetagetin 3673-tetramethyl ether"	"C19H18O8"	"374.1002"	"M+K+CF3COOH"	152.95602
"801890"	360.0845	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M"	0
"974382"	341.06611	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"66947"	239.049057333333	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"513071"	359.077224	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"895135"	119.020890666667	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"15291"	359.077224	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"455216"	539.119474	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"831556"	179.034974	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"93736"	719.161724	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"534225"	1079.246224	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"908546"	359.077224	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"60370"	736.188271	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"498106"	1096.272771	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"871533"	376.103771	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"39434"	741.143666	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"473527"	1101.228166	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"864129"	381.059166	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1633999"	381.059166	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"109678"	377.065563	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"547529"	557.107813	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"942270"	197.023313	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"281921"	755.138402	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"674583"	1115.222902	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1288087"	395.053902	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"31088"	757.117606	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"470193"	1117.202106	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"846538"	397.033106	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1570391"	397.033106	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"953898"	405.082694	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"368833"	765.167201	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"352715"	779.182851	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1502276"	419.098351	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"960704"	427.064651	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"111797"	395.053902	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"554275"	575.096152	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1028542"	215.011652	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1245204"	439.003385	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1314949"	441.059372	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1332082"	463.041329	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"926425"	473.070086	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1300942"	509.046764	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1378375"	325.071824	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1389309"	343.0818	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"292276"	721.176276	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"678135"	1081.260776	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1356672"	361.091776	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"133935"	361.091776	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"569122"	541.134026	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1039013"	181.049526	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"206915"	241.063609333333	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"650850"	361.091776	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1166787"	121.035442666667	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"430061"	738.202823	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"794345"	1098.287323	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1693594"	378.118323	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"342969"	369.6050495	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"735026"	549.6472995	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1487388"	189.5627995	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"406800"	743.158218	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"767071"	1103.242718	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1617719"	383.073718	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"327393"	372.082747	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"718721"	552.124997	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1473634"	192.040497	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1064691"	128.362756666667	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1270376"	393.117986	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"387126"	759.132158	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"751406"	1119.216658	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1545802"	399.047658	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"305166"	380.069717	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"705244"	560.111967	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1459797"	200.027467	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"251242"	762.202826	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1223657"	402.118326	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1207904"	201.562801	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"200776"	765.14016	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"641796"	1125.22466	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1143110"	405.05566	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"180202"	383.073718	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"621948"	563.115968	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1121079"	203.031468	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1401323"	135.690070666667	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1435626"	407.097246	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"223134"	388.10674	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1508803"	421.14929	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"413071"	391.060688	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"774072"	571.102938	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1668218"	211.018438	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"252305"	784.184768	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1227080"	424.100268	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1718514"	424.123793	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1182777"	143.017384666667	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1653035"	429.079188	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"172539"	797.08804	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"599099"	1157.17254	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1086892"	437.00354	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"150270"	399.047658	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"587643"	579.089908	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1070333"	219.005408	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1101719"	439.018092	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1337377"	439.105707	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1010282"	443.144876	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1530596"	444.138508	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"995951"	222.076076	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1597016"	445.053128	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1429607"	475.084638	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1159527"	242.589351	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1704702"	492.111185	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1645825"	497.06658	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1577100"	513.04052	"C10031"	"Chrysosplenol C;Quercetagetin 373-trimethyl ether"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"801711"	344.0896	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M"	0
"974681"	325.07121	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"65964"	228.385790666667	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"503167"	343.082324	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"893179"	113.689257333333	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"15116"	343.082324	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"455205"	515.127124	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"832234"	171.037524	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"94053"	687.171924	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"534193"	1031.261524	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"908292"	343.082324	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"60480"	704.198471	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"496029"	1048.288071	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"870550"	360.108871	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"39544"	709.153866	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"474730"	1053.243466	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"864198"	365.064266	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1633907"	365.064266	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"109933"	361.070663	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"546909"	533.115463	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"942465"	189.025863	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"281667"	723.148602	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"674938"	1067.238202	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1288193"	379.059002	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"31075"	725.127806	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"471279"	1069.217406	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"845921"	381.038206	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1569409"	381.038206	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"949635"	389.087794	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"374776"	733.177401	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"357564"	747.193051	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1502750"	403.103451	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"960814"	411.069751	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"111299"	379.059002	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"554385"	551.103802	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1027559"	207.014202	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1244950"	423.008485	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1315059"	425.064472	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1329275"	447.046429	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"926532"	457.075186	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1300688"	493.051864	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1378483"	309.076924	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1390512"	327.0869	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"294572"	689.186476	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"678245"	1033.276076	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1356782"	345.096876	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"134045"	345.096876	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"570325"	517.141676	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1039123"	173.052076	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"207025"	230.400342666667	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"652053"	345.096876	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1165804"	115.703809333333	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"430171"	706.213023	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"794455"	1050.302623	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1692975"	362.123423	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"339070"	353.6101495	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"733678"	525.6549495	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1487498"	181.5653495	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"403994"	711.168418	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"764993"	1055.258018	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1614183"	367.078818	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"327139"	356.087847	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"718831"	528.132647	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1473742"	184.043047	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1065893"	123.031123333333	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1267570"	377.123086	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"383957"	727.142358	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"752244"	1071.231958	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1545912"	383.052758	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"305276"	364.074817	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"704261"	536.119617	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1456987"	192.030017	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"250577"	730.213026	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1222674"	386.123426	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1205096"	193.565351	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"201248"	733.15036	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"641177"	1077.23996	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1140668"	389.06076	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"178125"	367.078818	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"617685"	539.123618	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1117179"	195.034018	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1401433"	130.358437333333	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1430511"	391.102346	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"220447"	372.11184	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1508573"	405.15439	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"412088"	375.065788	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"773452"	547.110588	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1668328"	203.020988	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"251684"	752.194968	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1226177"	408.105368	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1716438"	408.128893	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1180335"	137.685751333333	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1652414"	413.084288	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"164022"	765.09824	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"602488"	1109.18784	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1085907"	421.00864	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"149286"	383.052758	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"587753"	555.097558	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1069349"	211.007958	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1099989"	423.023192	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1337487"	423.110807	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1006376"	427.149976	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1524507"	428.143608	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"996061"	214.078626	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1597126"	429.058228	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1427890"	459.089738	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1159637"	234.591901	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1703719"	476.116285	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1645935"	481.07168	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1576117"	497.04562	"C10032"	"Cirsilineol"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"802230"	330.074	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M"	0
"974749"	311.05561	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"64981"	219.042057333333	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"503363"	329.066724	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"887815"	109.017390666667	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"14661"	329.066724	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"455072"	494.103724	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"831049"	164.029724	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"94166"	659.140724	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"533895"	989.214724	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"909863"	329.066724	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"60471"	676.167271	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"499419"	1006.241271	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"872846"	346.093271	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"39654"	681.122666	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"474840"	1011.196666	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"863831"	351.048666	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1633367"	351.048666	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"108921"	347.055063	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"547019"	512.092063	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"940052"	182.018063	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"282385"	695.117402	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"675415"	1025.191402	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1288264"	365.043402	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"30497"	697.096606	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"470543"	1027.170606	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"845666"	367.022606	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1568060"	367.022606	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"953755"	375.072194	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"373793"	705.146201	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"356946"	719.161851	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1502860"	389.087851	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"960558"	397.054151	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"110681"	365.043402	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"552308"	530.080402	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1025483"	200.006402	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1244695"	408.992885	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1317357"	411.048872	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1329385"	433.030829	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"924455"	443.059586	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1302256"	479.036264	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1380051"	295.061324	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1390622"	313.0713	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"284841"	661.155276	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"679448"	991.229276	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1355798"	331.081276	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H"	1.007276
"134155"	331.081276	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"569340"	496.118276	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1037528"	166.044276	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"207134"	221.056609333333	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"644542"	331.081276	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1165914"	111.031942666667	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"430281"	678.181823	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"792013"	1008.255823	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1693084"	348.107823	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"335528"	339.5945495	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"734150"	504.6315495	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1489065"	174.5575495	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"405197"	683.137218	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"764009"	1013.211218	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1614293"	353.063218	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"326156"	342.072247	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"717848"	507.109247	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1473124"	177.035247	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1065275"	118.359256666667	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1266587"	363.107486	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"386254"	699.111158	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"751991"	1029.185158	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1547115"	369.037158	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+K"	38.963158
"307573"	350.059217	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"701089"	515.096217	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1457097"	185.022217	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"251220"	702.181826	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1224242"	372.107826	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1204842"	186.557551	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"201358"	705.11916	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"637637"	1035.19316	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1140778"	375.04516	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"180422"	353.063218	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"619982"	518.100218	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1116560"	188.026218	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1400450"	125.686570666667	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1431472"	377.086746	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"221167"	358.09624	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1508502"	391.13879	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"412198"	361.050188	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"776479"	526.087188	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1667344"	196.013188	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"255319"	724.163768	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1227665"	394.089768	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1715820"	394.113293	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1182997"	133.013884666667	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1652889"	399.068688	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"164132"	737.06704	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"602598"	1067.14104	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1087111"	406.99304	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"143927"	369.037158	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"583123"	534.074158	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1070190"	204.000158	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1100601"	409.007592	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1335813"	409.095207	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1007578"	413.134376	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1525347"	414.128008	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"997264"	207.070826	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1596142"	415.042628	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1426177"	445.074138	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1158653"	227.584101	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1707109"	462.100685	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1646045"	467.05608	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1576227"	483.03002	"C10033"	"Cirsiliol"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"803314"	538.09	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M"	0
"975754"	519.07161	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-H2O-H"	-19.01839
"67277"	357.719390666667	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M-3H"	-3.021828
"502832"	537.082724	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M-3H"	-3.021828
"889019"	178.356057333333	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-3H"	-3.021828
"14156"	537.082724	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H"	-2.014552
"455184"	806.127724	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H"	-2.014552
"832253"	268.037724	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-2H"	-2.014552
"93587"	1075.172724	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M-H"	-1.007276
"533759"	1613.262724	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M-H"	-1.007276
"910338"	537.082724	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-H"	-1.007276
"60336"	1092.199271	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+NH4"	16.019271
"499529"	1630.289271	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+NH4"	16.019271
"871863"	554.109271	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+NH4"	16.019271
"39764"	1097.154666	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+Na"	20.974666
"474950"	1635.244666	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+Na"	20.974666
"861143"	559.064666	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+Na"	20.974666
"1632746"	559.064666	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Na-2H"	20.974666
"109153"	555.071063	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M-H+Cl"	33.962126
"544943"	824.116063	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M-H+Cl"	33.962126
"939554"	286.026063	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-H+Cl"	33.962126
"279214"	1111.149402	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+Cl"	34.969402
"672727"	1649.239402	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+Cl"	34.969402
"1286953"	573.059402	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl"	34.969402
"29755"	1113.128606	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+K"	36.948606
"470163"	1651.218606	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+K"	36.948606
"845046"	575.038606	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+K"	36.948606
"1566347"	575.038606	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+K-2H"	36.948606
"954229"	583.088194	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-H+HCOOH"	44.998194
"374996"	1121.178201	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+HCOOH-H"	44.998201
"356326"	1135.193851	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+Hac-H"	59.013851
"1501877"	597.103851	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Hac-H"	59.013851
"963951"	605.070151	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-H+NaCOOH"	66.980151
"112857"	573.059402	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Cl"	69.938804
"554241"	842.104402	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Cl"	69.938804
"1026686"	304.014402	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2Cl"	69.938804
"1245534"	617.008885	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Br"	78.918885
"1317466"	619.064872	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+HCOOH"	80.974872
"1329495"	641.046829	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+NaCOOH"	102.956829
"923835"	651.075586	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M-H+CF3COOH"	112.985586
"1298354"	687.052264	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+CF3COOH"	148.962264
"1377609"	503.077324	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H-2H2O"	-35.012676
"1390732"	521.0873	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H-H2O"	-17.0027
"286044"	1077.187276	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+H"	1.007276
"679558"	1615.277276	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+H"	1.007276
"1354814"	539.097276	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H"	1.007276
"134265"	539.097276	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+2H"	2.014552
"569450"	808.142276	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+2H"	2.014552
"1039704"	270.052276	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2H"	2.014552
"207244"	359.733942666667	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H"	3.021828
"644858"	539.097276	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+3H"	3.021828
"1164931"	180.370609333333	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+3H"	3.021828
"430391"	1094.213823	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+NH4"	18.033823
"794675"	1632.303823	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+NH4"	18.033823
"1691007"	556.123823	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4"	18.033823
"334910"	547.6105495	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+NH4"	19.041099
"736081"	816.6555495	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+NH4"	19.041099
"1490996"	278.5655495	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H+NH4"	19.041099
"404211"	1099.169218	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na"	22.989218
"767029"	1637.259218	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na"	22.989218
"1614403"	561.079218	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Na"	22.989218
"323352"	550.088247	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+Na"	23.996494
"717959"	819.133247	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+Na"	23.996494
"1471777"	281.043247	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H+Na"	23.996494
"1066842"	187.697923333333	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2H+Na"	25.00377
"1268883"	571.123486	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+CH3OH+H"	33.033486
"387457"	1115.143158	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+K"	38.963158
"753437"	1653.233158	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+K"	38.963158
"1546132"	577.053158	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+K"	38.963158
"307683"	558.075217	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+K"	39.970434
"697920"	827.120217	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+K"	39.970434
"1450646"	289.030217	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H+K"	39.970434
"250800"	1118.213826	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+H"	42.033826
"1223622"	580.123826	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+H"	42.033826
"1206410"	290.565551	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+2H"	43.041102
"201468"	1121.15116	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na-H"	44.97116
"640663"	1659.24116	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na-H"	44.97116
"1137242"	583.06116	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na-H"	44.97116
"179439"	561.079218	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na"	45.978436
"620092"	830.124218	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na"	45.978436
"1118130"	292.034218	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na"	45.978436
"1401654"	195.025237333333	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H+2Na"	46.985712
"1430852"	585.102746	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H+HCOOH"	47.012746
"221152"	566.11224	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H2O+2H"	56.04448
"1508847"	599.15479	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+H"	61.06479
"409029"	569.066188	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na+K"	61.952376
"775496"	838.111188	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na+K"	61.952376
"1668547"	300.021188	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+K"	61.952376
"253972"	1140.195768	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+Na"	64.015768
"1228865"	602.105768	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+Na"	64.015768
"1716660"	602.129293	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+HCOOH"	64.039293
"1183108"	202.352551333333	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+3Na"	68.967654
"1651906"	607.084688	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+HCOOH"	68.994688
"164242"	1153.09904	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K-H"	76.91904
"601615"	1691.18904	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K-H"	76.91904
"1087221"	615.00904	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2K-H"	76.91904
"145131"	577.053158	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K"	77.926316
"582868"	846.098158	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K"	77.926316
"1070300"	308.008158	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2K"	77.926316
"1100712"	617.023592	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2K+H"	78.933592
"1336005"	617.111207	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+DMSO+H"	79.021207
"1006842"	621.150376	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+H"	83.060376
"1524359"	622.144008	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+Na+H"	84.054008
"991906"	311.078826	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+2H"	84.067652
"1595158"	623.058628	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+K+HCOOH"	84.968628
"1417537"	653.090138	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+H+CF3COOH"	115.000138
"1160950"	331.592101	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+3ACN+2H"	125.094202
"1703939"	670.116685	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+CF3COOH"	132.026685
"1645061"	675.07208	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+CF3COOH"	136.98208
"1576337"	691.04602	"C10034"	"Cupressuflavone;88-Biapigenin"	"C30H18O10"	"538.09"	"M+K+CF3COOH"	152.95602
"801719"	296.1049	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M"	0
"975864"	277.08651	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-H2O-H"	-19.01839
"65200"	196.395990666667	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M-3H"	-3.021828
"504027"	295.097624	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M-3H"	-3.021828
"890222"	97.6943573333333	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-3H"	-3.021828
"13174"	295.097624	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M-2H"	-2.014552
"455606"	443.150074	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M-2H"	-2.014552
"832242"	147.045174	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-2H"	-2.014552
"94064"	591.202524	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M-H"	-1.007276
"533746"	887.307424	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M-H"	-1.007276
"910448"	295.097624	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-H"	-1.007276
"61298"	608.229071	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M-2H+NH4"	16.019271
"497818"	904.333971	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M-2H+NH4"	16.019271
"873066"	312.124171	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-2H+NH4"	16.019271
"40967"	613.184466	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M-2H+Na"	20.974666
"475060"	909.289366	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M-2H+Na"	20.974666
"858336"	317.079566	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-2H+Na"	20.974666
"1633874"	317.079566	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Na-2H"	20.974666
"108533"	313.085963	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M-H+Cl"	33.962126
"545053"	461.138413	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M-H+Cl"	33.962126
"939664"	165.033513	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-H+Cl"	33.962126
"279689"	627.179202	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+Cl"	34.969402
"674176"	923.284102	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+Cl"	34.969402
"1286700"	331.074302	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Cl"	34.969402
"29746"	629.158406	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M-2H+K"	36.948606
"469547"	925.263306	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M-2H+K"	36.948606
"846252"	333.053506	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-2H+K"	36.948606
"1568281"	333.053506	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+K-2H"	36.948606
"954339"	341.103094	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-H+HCOOH"	44.998194
"374013"	637.208001	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+HCOOH-H"	44.998201
"355343"	651.223651	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+Hac-H"	59.013851
"1501987"	355.118751	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Hac-H"	59.013851
"962968"	363.085051	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-H+NaCOOH"	66.980151
"111510"	331.074302	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+2Cl"	69.938804
"552530"	479.126752	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+2Cl"	69.938804
"1025703"	183.021852	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2Cl"	69.938804
"1245280"	375.023785	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Br"	78.918885
"1318669"	377.079772	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Cl+HCOOH"	80.974872
"1330698"	399.061729	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Cl+NaCOOH"	102.956829
"926502"	409.090486	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M-H+CF3COOH"	112.985586
"1302480"	445.067164	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Cl+CF3COOH"	148.962264
"1378815"	261.092224	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H-2H2O"	-35.012676
"1395945"	279.1022	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H-H2O"	-17.0027
"291622"	593.217076	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+H"	1.007276
"680762"	889.321976	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+H"	1.007276
"1356017"	297.112176	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H"	1.007276
"133282"	297.112176	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+2H"	2.014552
"568467"	445.164626	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+2H"	2.014552
"1038359"	149.059726	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2H"	2.014552
"210636"	198.410542666667	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+3H"	3.021828
"644727"	297.112176	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+3H"	3.021828
"1167229"	99.7089093333333	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+3H"	3.021828
"427220"	610.243623	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+NH4"	18.033823
"793692"	906.348523	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+NH4"	18.033823
"1691117"	314.138723	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+NH4"	18.033823
"333927"	305.6254495	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+H+NH4"	19.041099
"734005"	453.6778995	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+H+NH4"	19.041099
"1490742"	157.5729995	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H+NH4"	19.041099
"407239"	615.199018	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+Na"	22.989218
"766410"	911.303918	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+Na"	22.989218
"1617068"	319.094118	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Na"	22.989218
"327107"	308.103147	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+H+Na"	23.996494
"720255"	456.155597	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+H+Na"	23.996494
"1474802"	160.050697	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H+Na"	23.996494
"1067316"	107.036223333333	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2H+Na"	25.00377
"1268993"	329.138386	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+CH3OH+H"	33.033486
"388660"	631.172958	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+K"	38.963158
"754032"	927.277858	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+K"	38.963158
"1549522"	335.068058	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+K"	38.963158
"308886"	316.090117	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+H+K"	39.970434
"699123"	464.142567	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+H+K"	39.970434
"1450756"	168.037667	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H+K"	39.970434
"250664"	634.243626	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+ACN+H"	42.033826
"1223368"	338.138726	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+ACN+H"	42.033826
"1205790"	169.573001	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+ACN+2H"	43.041102
"201943"	637.18096	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+2Na-H"	44.97116
"640408"	933.28586	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+2Na-H"	44.97116
"1137352"	341.07606	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2Na-H"	44.97116
"179549"	319.094118	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+2Na"	45.978436
"622390"	467.146568	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+2Na"	45.978436
"1121519"	171.041668	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2Na"	45.978436
"1405045"	114.363537333333	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H+2Na"	46.985712
"1433878"	343.117646	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H+HCOOH"	47.012746
"223573"	324.12714	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+3H2O+2H"	56.04448
"1511636"	357.16969	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+IsoProp+H"	61.06479
"416794"	327.081088	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+Na+K"	61.952376
"774512"	475.133538	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+Na+K"	61.952376
"1667564"	179.028638	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Na+K"	61.952376
"253473"	656.225568	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+ACN+Na"	64.015768
"1227882"	360.120668	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+ACN+Na"	64.015768
"1715676"	360.144193	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+NH4+HCOOH"	64.039293
"1182125"	121.690851333333	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+3Na"	68.967654
"1652380"	365.099588	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Na+HCOOH"	68.994688
"164352"	669.12884	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+2K-H"	76.91904
"605006"	965.23374	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+2K-H"	76.91904
"1086238"	373.02394	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2K-H"	76.91904
"144148"	335.068058	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"2M+2K"	77.926316
"583096"	483.120508	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"3M+2K"	77.926316
"1070410"	187.015608	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2K"	77.926316
"1101668"	375.038492	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2K+H"	78.933592
"1336115"	375.126107	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+DMSO+H"	79.021207
"1006464"	379.165276	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2ACN+H"	83.060376
"1525195"	380.158908	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+IsoProp+Na+H"	84.054008
"992016"	190.086276	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+2ACN+2H"	84.067652
"1591987"	381.073528	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+K+HCOOH"	84.968628
"1418740"	411.105038	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+H+CF3COOH"	115.000138
"1159967"	210.599551	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+3ACN+2H"	125.094202
"1704049"	428.131585	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+NH4+CF3COOH"	132.026685
"1645170"	433.08698	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+Na+CF3COOH"	136.98208
"1573164"	449.06092	"C10035"	"Dasytrichone"	"C18H16O4"	"296.1049"	"M+K+CF3COOH"	152.95602
"803534"	286.0477	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M"	0
"975974"	267.02931	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"64579"	189.691190666667	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"504868"	285.040424	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"890332"	94.3419573333333	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"14012"	285.040424	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"455324"	428.064274	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"832238"	142.016574	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"94050"	571.088124	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"533734"	857.135824	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"910558"	285.040424	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"61773"	588.114671	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"497928"	874.162371	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"873176"	302.066971	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"41077"	593.070066	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"475170"	879.117766	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"863756"	307.022366	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1633938"	307.022366	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"105605"	303.028763	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"544069"	446.052613	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"938681"	160.004913	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"280164"	607.064802	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"673923"	893.112502	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1286441"	321.017102	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"27904"	609.044006	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"470381"	895.091706	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"847455"	322.996306	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1567660"	322.996306	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"952262"	331.045894	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"370476"	617.093601	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"355451"	631.109251	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1499911"	345.061551	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"963078"	353.027851	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"115267"	321.017102	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"555921"	464.040952	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1023747"	177.993252	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1245390"	364.966585	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1318415"	367.022572	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1327528"	389.004529	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"926615"	399.033286	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1302955"	435.009964	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1380019"	251.035024	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1396057"	269.045	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"296107"	573.102676	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"683059"	859.150376	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1359409"	287.054976	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"131205"	287.054976	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"569671"	430.078826	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1039562"	144.031126	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"210746"	191.705742666667	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"646051"	287.054976	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1167339"	96.3565093333333	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"426237"	590.129223	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"792709"	876.176923	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1691228"	304.081523	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"334401"	295.5682495	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"730837"	438.5920995	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1485750"	152.5443995	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"406259"	595.084618	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"762148"	881.132318	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1615719"	309.036918	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"325759"	298.045947	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"717087"	441.069797	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1471999"	155.022097	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1065242"	103.683823333333	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1269106"	319.081186	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"390594"	611.058558	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"753050"	897.106258	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1549632"	325.010858	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"308996"	306.032917	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"702514"	449.056767	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1456334"	163.009067	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"248217"	614.129226	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1216550"	328.081526	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1205901"	164.544401	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"202056"	617.06656	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"641249"	903.11426	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1138557"	331.01886	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"178565"	309.036918	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"621405"	452.060768	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1122723"	166.013068	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1407338"	111.011137333333	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1431924"	333.060446	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"224777"	314.06994	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1511745"	347.11249	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"413624"	317.023888	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"773529"	460.047738	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1670955"	174.000038	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"254312"	636.111168	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1227993"	350.063468	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1714691"	350.086993	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1180047"	118.338451333333	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1651396"	355.042388	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"169931"	649.01444	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"610583"	935.06214	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1090722"	362.96674	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"144258"	325.010858	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"584182"	468.034708	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1070520"	181.987008	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1102636"	364.981292	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1337197"	365.068907	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1006816"	369.108076	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1525430"	370.101708	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"992247"	185.057676	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1593192"	371.016328	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1422130"	401.047838	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1161171"	205.570951	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1704159"	418.074385	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1648560"	423.02978	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1573275"	439.00372	"C10036"	"Datiscetin;3572-Tetrahydroxyflavone"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"803643"	270.0528	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M"	0
"976084"	251.03441	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"63957"	179.027924	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"504977"	269.045524	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"883143"	89.010324	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"14486"	269.045524	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"455483"	404.071924	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"832514"	134.019124	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"93991"	539.098324	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"533967"	809.151124	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"911034"	269.045524	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"61517"	556.124871	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"499131"	826.177671	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"872193"	286.072071	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"40094"	561.080266	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"476372"	831.133066	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"861835"	291.027466	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1633972"	291.027466	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"108751"	287.033863	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"546364"	422.060263	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"936601"	152.007463	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"282089"	575.075002	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"675575"	845.127802	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1287651"	305.022202	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"31013"	577.054206	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"470944"	847.107006	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"848178"	307.001406	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1567770"	307.001406	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"957475"	315.050994	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"373866"	585.103801	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"358841"	599.119451	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1496737"	329.066651	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"963188"	337.032951	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"113190"	305.022202	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"556031"	440.048602	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1025922"	169.995802	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1246594"	348.971685	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1319336"	351.027672	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1329824"	373.009629	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"926606"	383.038386	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1304173"	419.015064	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1382359"	235.040124	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1394341"	253.0501	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"295124"	541.112876	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"680981"	811.165676	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1361706"	271.060076	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"134595"	271.060076	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"573061"	406.086476	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1041858"	136.033676	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"211949"	181.042476	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"646040"	271.060076	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1166356"	91.024876	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"427441"	558.139423	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"796098"	828.192223	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1693525"	288.086623	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"336333"	279.5733495	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"734225"	414.5997495	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1484766"	144.5469495	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"405636"	563.094818	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"765537"	833.147618	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1615826"	293.042018	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"326963"	282.051047	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"717198"	417.077447	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1474658"	147.024647	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1064256"	98.35219	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1270674"	303.086286	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"392487"	579.068758	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"747689"	849.121558	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1549742"	309.015958	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"309106"	290.038017	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"704448"	425.064417	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1457537"	155.011617	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"247964"	582.139426	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1219939"	312.086626	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1204918"	156.546951	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"201802"	585.07676	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"640998"	855.12956	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1140853"	315.02396	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"185233"	293.042018	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"625888"	428.068418	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1130484"	158.015618	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1407447"	105.679504	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1436286"	317.065546	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"230352"	298.07504	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1512948"	331.11759	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"417013"	301.028988	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"774731"	436.055388	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1672157"	166.002588	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"257581"	604.121368	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1229196"	334.068568	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1714436"	334.092093	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1181250"	113.006818	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1650533"	339.047488	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"170040"	617.02464	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"608506"	887.07744	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1094112"	346.97184	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"147647"	309.015958	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"587208"	444.042358	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1070628"	173.989558	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1101408"	348.986392	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1336820"	349.074007	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1006930"	353.113176	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1525540"	354.106808	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"994423"	177.060226	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1593302"	355.021428	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1422240"	385.052938	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1161281"	197.573501	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1704269"	402.079485	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1647577"	407.03488	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1572656"	423.00882	"C10037"	"Resokaempherol;5-Deoxykaempferol;374-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"801647"	300.0634	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M"	0
"977287"	281.04501	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"64067"	199.034990666667	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"505086"	299.056124	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"883979"	99.0138573333333	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"2920"	299.056124	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"442117"	449.087824	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"823210"	149.024424	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"86483"	599.119524	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"533587"	899.182924	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"908224"	299.056124	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"60047"	616.146071	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"498877"	916.209471	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"872303"	316.082671	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"40204"	621.101466	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"473203"	921.164866	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"861945"	321.038066	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1632577"	321.038066	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"108134"	317.044463	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"546110"	467.076163	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"933431"	167.012763	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"278552"	635.096202	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"674868"	935.159602	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1287760"	335.032802	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"31042"	637.075406	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"469879"	937.138806	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"847315"	337.012006	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1565693"	337.012006	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"957705"	345.061594	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"371788"	645.125001	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"350202"	659.140651	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1495753"	359.077251	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"961473"	367.043551	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"111474"	335.032802	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"550787"	485.064502	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1023111"	185.001102	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1244514"	378.982285	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1309155"	381.038272	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1329934"	403.020229	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"925983"	413.048986	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1303173"	449.025664	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1381330"	265.050724	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1391170"	283.0607	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"293045"	601.134076	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"678904"	901.197476	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1359629"	301.070676	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"134703"	301.070676	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"573171"	451.102376	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1039781"	151.038976	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"204886"	201.049542666667	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"649429"	301.070676	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1167552"	101.028409333333	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"424746"	618.160623	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"786183"	918.224023	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1692542"	318.097223	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"334257"	309.5839495	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"735428"	459.6156495	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1485968"	159.5522495	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"405746"	623.116018	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"764553"	923.179418	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1613750"	323.052618	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"326344"	312.061647	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"714028"	462.093347	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1472217"	162.029947	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1066189"	108.355723333333	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1268598"	333.096886	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"391544"	639.089958	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"747799"	939.153358	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1543291"	339.026558	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"305936"	320.048617	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"704922"	470.080317	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1457283"	170.016917	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"246249"	642.160626	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1217862"	342.097226	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1202840"	171.552251	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"199722"	645.09796	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"636365"	945.16136	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1139868"	345.03456	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"182062"	323.052618	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"619435"	473.084318	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1125127"	173.020918	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1403182"	115.683037333333	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1436392"	347.076146	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"223898"	328.08564	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1510139"	361.12819	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"414935"	331.039588	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"774841"	481.071288	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1668985"	181.007888	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"253319"	664.142568	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1228213"	364.079168	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1713452"	364.102693	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1178808"	123.010351333333	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1650521"	369.058088	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"161401"	677.04584	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"604241"	977.10924	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1095315"	376.98244	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"146664"	339.026558	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"584400"	489.058258	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1070739"	188.994858	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1100545"	378.996992	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1337171"	379.084607	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1008012"	383.123776	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1525044"	384.117408	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"994532"	192.065526	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1590130"	385.032028	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1419070"	415.063538	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1162744"	212.578801	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1704379"	432.090085	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1642219"	437.04548	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1573130"	453.01942	"C10038"	"Diosmetin;Luteolin 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"802405"	608.1741	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M"	0
"976304"	589.15571	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-H2O-H"	-19.01839
"66730"	404.442124	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M-3H"	-3.021828
"507380"	607.166824	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M-3H"	-3.021828
"881903"	201.717424	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-3H"	-3.021828
"3395"	607.166824	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M-2H"	-2.014552
"443323"	911.253874	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M-2H"	-2.014552
"824413"	303.079774	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-2H"	-2.014552
"84406"	1215.340924	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M-H"	-1.007276
"533940"	1823.515024	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M-H"	-1.007276
"909430"	607.166824	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-H"	-1.007276
"60645"	1232.367471	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M-2H+NH4"	16.019271
"499351"	1840.541571	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M-2H+NH4"	16.019271
"872413"	624.193371	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-2H+NH4"	16.019271
"40314"	1237.322866	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M-2H+Na"	20.974666
"472584"	1845.496966	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M-2H+Na"	20.974666
"862055"	629.148766	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-2H+Na"	20.974666
"1631958"	629.148766	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Na-2H"	20.974666
"109095"	625.155163	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M-H+Cl"	33.962126
"546584"	929.242213	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M-H+Cl"	33.962126
"933541"	321.068113	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-H+Cl"	33.962126
"277569"	1251.317602	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+Cl"	34.969402
"674251"	1859.491702	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+Cl"	34.969402
"1286770"	643.143502	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Cl"	34.969402
"29328"	1253.296806	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M-2H+K"	36.948606
"469981"	1861.470906	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M-2H+K"	36.948606
"846690"	645.122706	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-2H+K"	36.948606
"1564709"	645.122706	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+K-2H"	36.948606
"954777"	653.172294	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-H+HCOOH"	44.998194
"367523"	1261.346401	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+HCOOH-H"	44.998201
"348121"	1275.362051	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+Hac-H"	59.013851
"1494766"	667.187951	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Hac-H"	59.013851
"960490"	675.154251	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-H+NaCOOH"	66.980151
"111579"	643.143502	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+2Cl"	69.938804
"552232"	947.230552	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+2Cl"	69.938804
"1022493"	339.056452	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2Cl"	69.938804
"1244988"	687.092985	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Br"	78.918885
"1310358"	689.148972	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Cl+HCOOH"	80.974872
"1331137"	711.130929	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Cl+NaCOOH"	102.956829
"925484"	721.159686	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M-H+CF3COOH"	112.985586
"1303285"	757.136364	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Cl+CF3COOH"	148.962264
"1381319"	573.161424	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H-2H2O"	-35.012676
"1393466"	591.1714	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H-H2O"	-17.0027
"288780"	1217.355476	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+H"	1.007276
"680107"	1825.529576	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+H"	1.007276
"1360832"	609.181376	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H"	1.007276
"135906"	609.181376	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+2H"	2.014552
"568176"	913.268426	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+2H"	2.014552
"1040984"	305.094326	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2H"	2.014552
"207791"	406.456676	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+3H"	3.021828
"650631"	609.181376	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+3H"	3.021828
"1166568"	203.731976	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+3H"	3.021828
"424857"	1234.382023	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+NH4"	18.033823
"786459"	1842.556123	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+NH4"	18.033823
"1689370"	626.207923	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+NH4"	18.033823
"336553"	617.6946495	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+H+NH4"	19.041099
"734445"	921.7816995	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+H+NH4"	19.041099
"1484985"	313.6075995	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H+NH4"	19.041099
"401476"	1239.337418	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+Na"	22.989218
"760288"	1847.511518	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+Na"	22.989218
"1611666"	631.163318	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Na"	22.989218
"327172"	620.172347	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+H+Na"	23.996494
"719592"	924.259397	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+H+Na"	23.996494
"1473416"	316.085297	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H+Na"	23.996494
"1066660"	211.05929	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2H+Na"	25.00377
"1270167"	641.207586	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+CH3OH+H"	33.033486
"388007"	1255.311358	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+K"	38.963158
"744628"	1863.485458	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+K"	38.963158
"1542308"	647.137258	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+K"	38.963158
"306046"	628.159317	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+H+K"	39.970434
"705396"	932.246367	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+H+K"	39.970434
"1454477"	324.072267	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H+K"	39.970434
"245266"	1258.382026	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+ACN+H"	42.033826
"1217972"	650.207926	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+ACN+H"	42.033826
"1202950"	325.607601	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+ACN+2H"	43.041102
"200196"	1261.31936	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+2Na-H"	44.97116
"636475"	1869.49346	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+2Na-H"	44.97116
"1141071"	653.14526	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2Na-H"	44.97116
"182172"	631.163318	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+2Na"	45.978436
"623917"	935.250368	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+2Na"	45.978436
"1127789"	327.076268	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2Na"	45.978436
"1405479"	218.386604	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H+2Na"	46.985712
"1438689"	655.186846	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H+HCOOH"	47.012746
"225103"	636.19634	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+3H2O+2H"	56.04448
"1512071"	669.23889	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+IsoProp+H"	61.06479
"416138"	639.150288	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+Na+K"	61.952376
"773858"	943.237338	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+Na+K"	61.952376
"1670188"	335.063238	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Na+K"	61.952376
"255250"	1280.363968	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+ACN+Na"	64.015768
"1228687"	672.189868	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+ACN+Na"	64.015768
"1715023"	672.213393	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+NH4+HCOOH"	64.039293
"1179766"	225.713918	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+3Na"	68.967654
"1650873"	677.168788	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Na+HCOOH"	68.994688
"164789"	1293.26724	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+2K-H"	76.91904
"605444"	1901.44134	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+2K-H"	76.91904
"1095062"	685.09314	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2K-H"	76.91904
"150053"	647.137258	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"2M+2K"	77.926316
"586332"	951.224308	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"3M+2K"	77.926316
"1073035"	343.050208	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2K"	77.926316
"1104057"	687.107692	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2K+H"	78.933592
"1338617"	687.195307	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+DMSO+H"	79.021207
"1006905"	691.234476	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2ACN+H"	83.060376
"1528191"	692.228108	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+IsoProp+Na+H"	84.054008
"993549"	346.120876	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+2ACN+2H"	84.067652
"1592425"	693.142728	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+K+HCOOH"	84.968628
"1419180"	723.174238	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+H+CF3COOH"	115.000138
"1149468"	366.634151	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+3ACN+2H"	125.094202
"1700114"	740.200785	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+NH4+CF3COOH"	132.026685
"1642329"	745.15618	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+Na+CF3COOH"	136.98208
"1572876"	761.13012	"C10039"	"Diosmin;Diosmetin 7-O-rutinoside"	"C28H32O15"	"608.1741"	"M+K+CF3COOH"	152.95602
"810536"	344.0896	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M"	0
"977508"	325.07121	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"66112"	228.385790666667	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"504942"	343.082324	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"885301"	113.689257333333	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"2778"	343.082324	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"446718"	515.127124	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"826709"	171.037524	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"83423"	687.171924	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"532953"	1031.261524	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"909902"	343.082324	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"58079"	704.198471	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"500555"	1048.288071	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"875804"	360.108871	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"45530"	709.153866	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"481079"	1053.243466	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"862165"	365.064266	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1632429"	365.064266	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"103854"	361.070663	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"538674"	533.115463	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"933651"	189.025863	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"277679"	723.148602	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"674848"	1067.238202	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1286519"	379.059002	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"29201"	725.127806	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"470095"	1069.217406	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"847290"	381.038206	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1569558"	381.038206	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"953794"	389.087794	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"367633"	733.177401	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"347142"	747.193051	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1494149"	403.103451	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"960234"	411.069751	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"113512"	379.059002	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"553435"	551.103802	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1022481"	207.014202	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1242912"	423.008485	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1310468"	425.064472	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1330153"	447.046429	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"924140"	457.075186	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1302662"	493.051864	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1382442"	309.076924	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1393576"	327.0869	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"288890"	689.186476	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"680217"	1033.276076	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1360942"	345.096876	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"134923"	345.096876	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"569743"	517.141676	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1040001"	173.052076	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"205713"	230.400342666667	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"650741"	345.096876	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1167772"	115.703809333333	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"424439"	706.213023	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"786573"	1050.302623	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1689480"	362.123423	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"335570"	353.6101495	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"735284"	525.6549495	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1486188"	181.5653495	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"399399"	711.168418	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"761491"	1055.258018	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1610683"	367.078818	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"326190"	356.087847	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"719702"	528.132647	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1474622"	184.043047	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1066407"	123.031123333333	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1270278"	377.123086	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"388117"	727.142358	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"744738"	1071.231958	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1542418"	383.052758	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"306156"	364.074817	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"705143"	536.119617	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1456409"	192.030017	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"245376"	730.213026	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1216989"	386.123426	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1207437"	193.565351	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"200306"	733.15036	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"636585"	1077.23996	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1139359"	389.06076	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"184470"	367.078818	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"623301"	539.123618	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1127535"	195.034018	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1409966"	130.358437333333	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1440987"	391.102346	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"225213"	372.11184	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1512547"	405.15439	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"412967"	375.065788	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"776154"	547.110588	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1672484"	203.020988	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"256818"	752.194968	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1229526"	408.105368	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1719507"	408.128893	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1180851"	137.685751333333	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1653662"	413.084288	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"163806"	765.09824	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"606647"	1109.18784	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1094443"	421.00864	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"149070"	383.052758	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"585353"	555.097558	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1072053"	211.007958	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1104170"	423.023192	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1340552"	423.110807	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1009081"	427.149976	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1525505"	428.143608	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"994752"	214.078626	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1590350"	429.058228	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1419290"	459.089738	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1161610"	234.591901	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1704599"	476.116285	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1643532"	481.07168	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1572986"	497.04562	"C10040"	"Eupatilin"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"807365"	286.0477	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M"	0
"976890"	267.02931	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"65130"	189.691190666667	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"504689"	285.040424	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"885411"	94.3419573333333	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"703"	285.040424	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"446828"	428.064274	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"827913"	142.016574	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"89729"	571.088124	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"533305"	857.135824	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"910133"	285.040424	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"62807"	588.114671	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"502298"	874.162371	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"879656"	302.066971	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"46984"	593.070066	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"484470"	879.117766	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"852798"	307.022366	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1631446"	307.022366	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"103964"	303.028763	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"539149"	446.052613	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"933761"	160.004913	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"277789"	607.064802	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"674838"	893.112502	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1287359"	321.017102	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"29429"	609.044006	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"466921"	895.091706	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"847885"	322.996306	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1564929"	322.996306	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"956090"	331.045894	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"373940"	617.093601	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"351626"	631.109251	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1501552"	345.061551	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"964721"	353.027851	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"112532"	321.017102	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"550756"	464.040952	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1023079"	177.993252	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1242657"	364.966585	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1308390"	367.022572	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1331356"	389.004529	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"926718"	399.033286	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1303504"	435.009964	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1380204"	251.035024	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1394781"	269.045	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"289000"	573.102676	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"682513"	859.150376	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1359958"	287.054976	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"132846"	287.054976	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"568395"	430.078826	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1040110"	144.031126	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"208009"	191.705742666667	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"647571"	287.054976	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1166788"	96.3565093333333	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"426054"	590.129223	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"786683"	876.176923	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1690689"	304.081523	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"340056"	295.5682495	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"731387"	438.5920995	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1486302"	152.5443995	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"397328"	595.084618	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"762692"	881.132318	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1614077"	309.036918	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"325204"	298.045947	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"714343"	441.069797	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1468167"	155.022097	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1058127"	103.683823333333	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1260899"	319.081186	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"390780"	611.058558	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"750316"	897.106258	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1543622"	325.010858	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"306266"	306.032917	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"706264"	449.056767	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1454697"	163.009067	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"244392"	614.129226	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1223663"	328.081526	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1208642"	164.544401	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"201509"	617.06656	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"636696"	903.11426	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1140202"	331.01886	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"184219"	309.036918	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"621956"	452.060768	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1123640"	166.013068	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1405706"	111.011137333333	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1438913"	333.060446	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"227516"	314.06994	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1513755"	347.11249	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"414172"	317.023888	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"776266"	460.047738	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1671503"	174.000038	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"261304"	636.111168	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1234014"	350.063468	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1714513"	350.086993	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1186066"	118.338451333333	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1660334"	355.042388	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"169384"	649.01444	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"608944"	935.06214	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1092366"	362.96674	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"149182"	325.010858	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"586557"	468.034708	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1072166"	181.987008	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1108657"	364.981292	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1338481"	365.068907	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1011384"	369.108076	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1530600"	370.101708	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"995956"	185.057676	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1592647"	371.016328	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1421587"	401.047838	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1157345"	205.570951	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1704709"	418.074385	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1640362"	423.02978	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1573825"	439.00372	"C10041"	"Fisetin;734-Trihydroxyflavonol"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"804194"	448.1006	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M"	0
"976636"	429.08221	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"65969"	297.726457333333	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"503706"	447.093324	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"881145"	148.359590666667	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"121"	447.093324	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"446938"	671.143624	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"831303"	223.043024	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"86923"	895.193924	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"532684"	1343.294524	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"905379"	447.093324	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"59756"	912.220471	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"502356"	1360.321071	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"878334"	464.119871	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"47128"	917.175866	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"484458"	1365.276466	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"852544"	469.075266	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1629732"	469.075266	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"100793"	465.081663	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"539620"	689.131963	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"933871"	241.031363	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"277899"	931.170602	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"675144"	1379.271202	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1287710"	483.070002	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"28567"	933.149806	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"465938"	1381.250406	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"848322"	485.049206	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1565039"	485.049206	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"956200"	493.098794	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"374414"	941.199401	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"349550"	955.215051	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1503849"	507.114451	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"965924"	515.080751	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"112644"	483.070002	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"552204"	707.120302	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1024283"	259.019702	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1244954"	527.019485	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1309592"	529.075472	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1331466"	551.057429	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"926177"	561.086186	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1303373"	597.062864	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1380678"	413.087924	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1394891"	431.0979	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"289110"	897.208476	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"682623"	1345.309076	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1360068"	449.107876	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"134049"	449.107876	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"571422"	673.158176	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1042408"	225.057576	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"209213"	299.741009333333	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"653147"	449.107876	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1166899"	150.374142666667	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"429077"	914.235023	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"786794"	1362.335623	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1681748"	466.134423	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"337971"	457.6211495	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"730402"	681.6714495	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1486412"	233.5708495	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"398531"	919.190418	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"759522"	1367.291018	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1614187"	471.089818	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"323127"	460.098847	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"713358"	684.149147	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1468276"	236.048547	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1054957"	157.701456666667	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1259186"	481.134086	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"388337"	935.164358	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"753707"	1383.264958	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1543732"	487.063758	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"303096"	468.085817	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"705361"	692.136117	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1454807"	244.035517	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"243409"	938.235026	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1220491"	490.134426	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1207657"	245.570851	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"201619"	941.17236	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"638992"	1389.27296	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1142499"	493.07176	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"183965"	471.089818	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"623161"	695.140118	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1123386"	247.039518	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1405816"	165.028770666667	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1436836"	495.113346	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"227626"	476.12284	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1513500"	509.16539	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"411365"	479.076788	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"774189"	703.127088	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1670520"	255.026488	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"261414"	960.216968	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1236310"	512.116368	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1714381"	512.139893	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1186176"	172.356084666667	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1661540"	517.095288	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"167308"	973.12024	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"610146"	1421.22084	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1092475"	525.01964	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"149292"	487.063758	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"588852"	711.114058	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1072276"	263.013458	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1107674"	527.034192	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1339685"	527.121807	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1010401"	531.160976	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1530710"	532.154608	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"998252"	266.084126	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1592756"	533.069228	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1417320"	563.100738	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1154174"	286.597401	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1704819"	580.127285	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1638286"	585.08268	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1573204"	601.05662	"C10042"	"Fisetin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"802481"	222.0681	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M"	0
"977839"	203.04971	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-H2O-H"	-19.01839
"66079"	147.038124	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M-3H"	-3.021828
"503816"	221.060824	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M-3H"	-3.021828
"883442"	73.015424	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-3H"	-3.021828
"923"	221.060824	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M-2H"	-2.014552
"447048"	332.094874	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M-2H"	-2.014552
"832025"	110.026774	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-2H"	-2.014552
"87033"	443.128924	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M-H"	-1.007276
"530970"	665.197024	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M-H"	-1.007276
"905489"	221.060824	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-H"	-1.007276
"59745"	460.155471	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M-2H+NH4"	16.019271
"502102"	682.223571	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M-2H+NH4"	16.019271
"876134"	238.087371	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-2H+NH4"	16.019271
"45375"	465.110866	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M-2H+Na"	20.974666
"484447"	687.178966	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M-2H+Na"	20.974666
"852654"	243.042766	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-2H+Na"	20.974666
"1629842"	243.042766	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Na-2H"	20.974666
"100903"	239.049163	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M-H+Cl"	33.962126
"537179"	350.083213	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M-H+Cl"	33.962126
"933981"	128.015113	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-H+Cl"	33.962126
"281167"	479.105602	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+Cl"	34.969402
"675525"	701.173702	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+Cl"	34.969402
"1287211"	257.037502	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Cl"	34.969402
"27582"	481.084806	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M-2H+K"	36.948606
"468236"	703.152906	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M-2H+K"	36.948606
"847496"	259.016706	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-2H+K"	36.948606
"1569159"	259.016706	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+K-2H"	36.948606
"957689"	267.066294	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-H+HCOOH"	44.998194
"374524"	489.134401	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+HCOOH-H"	44.998201
"348566"	503.150051	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+Hac-H"	59.013851
"1503595"	281.081951	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Hac-H"	59.013851
"967128"	289.048251	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-H+NaCOOH"	66.980151
"113847"	257.037502	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+2Cl"	69.938804
"553408"	368.071552	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+2Cl"	69.938804
"1028767"	146.003452	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2Cl"	69.938804
"1246158"	300.986985	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Br"	78.918885
"1308609"	303.042972	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Cl+HCOOH"	80.974872
"1331576"	325.024929	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Cl+NaCOOH"	102.956829
"924828"	335.053686	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M-H+CF3COOH"	112.985586
"1302629"	371.030364	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Cl+CF3COOH"	148.962264
"1380789"	187.055424	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H-2H2O"	-35.012676
"1391721"	205.0654	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H-H2O"	-17.0027
"294687"	445.143476	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+H"	1.007276
"681640"	667.211576	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+H"	1.007276
"1357991"	223.075376	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H"	1.007276
"133066"	223.075376	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+2H"	2.014552
"568251"	334.109426	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+2H"	2.014552
"1043611"	112.041326	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2H"	2.014552
"213697"	149.052676	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+3H"	3.021828
"654352"	223.075376	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+3H"	3.021828
"1169196"	75.029976	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+3H"	3.021828
"431374"	462.170023	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+NH4"	18.033823
"787996"	684.238123	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+NH4"	18.033823
"1682507"	240.101923	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+NH4"	18.033823
"335165"	231.5886495	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+H+NH4"	19.041099
"730512"	342.6226995	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+H+NH4"	19.041099
"1484336"	120.5545995	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H+NH4"	19.041099
"396454"	467.125418	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+Na"	22.989218
"761819"	689.193518	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+Na"	22.989218
"1613204"	245.057318	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Na"	22.989218
"323237"	234.066347	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+H+Na"	23.996494
"712377"	345.100397	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+H+Na"	23.996494
"1468386"	123.032297	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H+Na"	23.996494
"1057256"	82.35729	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2H+Na"	25.00377
"1258934"	255.101586	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+CH3OH+H"	33.033486
"386257"	483.099358	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+K"	38.963158
"749443"	705.167458	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+K"	38.963158
"1543842"	261.031258	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+K"	38.963158
"303206"	242.053317	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+H+K"	39.970434
"705958"	353.087367	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+H+K"	39.970434
"1456010"	131.019267	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H+K"	39.970434
"243519"	486.170026	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+ACN+H"	42.033826
"1219508"	264.101926	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+ACN+H"	42.033826
"1208862"	132.554601	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+ACN+2H"	43.041102
"198449"	489.10736	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+2Na-H"	44.97116
"635823"	711.17546	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+2Na-H"	44.97116
"1141516"	267.03926	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2Na-H"	44.97116
"183710"	245.057318	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+2Na"	45.978436
"624000"	356.091368	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+2Na"	45.978436
"1124590"	134.023268	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2Na"	45.978436
"1407019"	89.684604	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H+2Na"	46.985712
"1436946"	269.080846	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H+HCOOH"	47.012746
"227736"	250.09034	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+3H2O+2H"	56.04448
"1514339"	283.13289	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+IsoProp+H"	61.06479
"415482"	253.044288	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+Na+K"	61.952376
"775757"	364.078338	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+Na+K"	61.952376
"1670628"	142.010238	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Na+K"	61.952376
"261524"	508.151968	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+ACN+Na"	64.015768
"1236420"	286.083868	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+ACN+Na"	64.015768
"1715464"	286.107393	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+NH4+HCOOH"	64.039293
"1185193"	97.011918	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+3Na"	68.967654
"1662017"	291.062788	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Na+HCOOH"	68.994688
"167783"	521.05524	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+2K-H"	76.91904
"603695"	743.12334	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+2K-H"	76.91904
"1093678"	298.98714	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2K-H"	76.91904
"151591"	261.031258	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"2M+2K"	77.926316
"587870"	372.065308	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"3M+2K"	77.926316
"1076755"	149.997208	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2K"	77.926316
"1106687"	301.001692	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2K+H"	78.933592
"1341978"	301.089307	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+DMSO+H"	79.021207
"1015974"	305.128476	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2ACN+H"	83.060376
"1530819"	306.122108	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+IsoProp+Na+H"	84.054008
"999454"	153.067876	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+2ACN+2H"	84.067652
"1593958"	307.036728	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+K+HCOOH"	84.968628
"1419617"	337.068238	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+H+CF3COOH"	115.000138
"1154284"	173.581151	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+3ACN+2H"	125.094202
"1704929"	354.094785	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+NH4+CF3COOH"	132.026685
"1638396"	359.05018	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+Na+CF3COOH"	136.98208
"1572951"	375.02412	"C10043"	"Flavone;2-Phenyl-4-benzopyron;2-Phenyl-4-chromone"	"C15H10O2"	"222.0681"	"M+K+CF3COOH"	152.95602
"810976"	270.0528	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M"	0
"977220"	251.03441	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"65460"	179.027924	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"506845"	269.045524	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"883554"	89.010324	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"2127"	269.045524	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"450438"	404.071924	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"831402"	134.019124	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"87143"	539.098324	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"531080"	809.151124	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"905599"	269.045524	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"59976"	556.124871	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"501849"	826.177671	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"875151"	286.072071	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"46213"	561.080266	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"485895"	831.133066	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"851668"	291.027466	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1628859"	291.027466	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"101013"	287.033863	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"536194"	422.060263	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"931904"	152.007463	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"278119"	575.075002	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"671631"	845.127802	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1278569"	305.022202	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"29390"	577.054206	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"469439"	847.107006	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"842864"	307.001406	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1564164"	307.001406	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"948765"	315.050994	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"368073"	585.103801	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"347582"	599.119451	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1497509"	329.066651	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"965051"	337.032951	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"111770"	305.022202	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"550602"	440.048602	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1026690"	169.995802	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1246269"	348.971685	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1308719"	351.027672	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1330593"	373.009629	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"922745"	383.038386	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1302738"	419.015064	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1379804"	235.040124	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1388551"	253.0501	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"289330"	541.112876	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"681750"	811.165676	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1358101"	271.060076	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"133175"	271.060076	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"570546"	406.086476	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1042627"	136.033676	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"208339"	181.042476	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"651182"	271.060076	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1171493"	91.024876	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"429297"	558.139423	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"787379"	828.192223	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1684075"	288.086623	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"336004"	279.5733495	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"730622"	414.5997495	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1484446"	144.5469495	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"398750"	563.094818	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"761929"	833.147618	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1612221"	293.042018	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"323347"	282.051047	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"714673"	417.077447	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1471775"	147.024647	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1057366"	98.35219	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1260137"	303.086286	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"386367"	579.068758	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"747366"	849.121558	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1541400"	309.015958	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"303316"	290.038017	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"705946"	425.064417	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1456120"	155.011617	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"242536"	582.139426	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1218524"	312.086626	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1205325"	156.546951	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"197465"	585.07676	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"637025"	855.12956	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1138344"	315.02396	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"180540"	293.042018	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"620099"	428.068418	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1120689"	158.015618	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1406764"	105.679504	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1440702"	317.065546	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"227845"	298.07504	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1511536"	331.11759	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"409156"	301.028988	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"780970"	436.055388	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1672926"	166.002588	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"255069"	604.121368	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1227779"	334.068568	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1713872"	334.092093	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1190771"	113.006818	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1662125"	339.047488	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"168621"	617.02464	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"608545"	887.07744	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1092697"	346.97184	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"149512"	309.015958	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"586886"	444.042358	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1072496"	173.989558	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1107894"	348.986392	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1342091"	349.074007	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1013899"	353.113176	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1529835"	354.106808	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"998471"	177.060226	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1595162"	355.021428	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1419727"	385.052938	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1154394"	197.573501	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1703946"	402.079485	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1640693"	407.03488	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1572696"	423.00882	"C10044"	"Galangin;357-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"807805"	312.0998	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M"	0
"979153"	293.08141	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-H2O-H"	-19.01839
"70678"	207.059257333333	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M-3H"	-3.021828
"508051"	311.092524	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M-3H"	-3.021828
"885852"	103.025990666667	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-3H"	-3.021828
"9895"	311.092524	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M-2H"	-2.014552
"454805"	467.142424	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M-2H"	-2.014552
"829449"	155.042624	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-2H"	-2.014552
"90534"	623.192324	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M-H"	-1.007276
"530096"	935.292124	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M-H"	-1.007276
"907896"	311.092524	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-H"	-1.007276
"60086"	640.218871	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M-2H+NH4"	16.019271
"500741"	952.318671	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M-2H+NH4"	16.019271
"879156"	328.119071	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-2H+NH4"	16.019271
"44625"	645.174266	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M-2H+Na"	20.974666
"485642"	957.274066	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M-2H+Na"	20.974666
"853237"	333.074466	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-2H+Na"	20.974666
"1626782"	333.074466	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Na-2H"	20.974666
"101123"	329.080863	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M-H+Cl"	33.962126
"538128"	485.130763	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M-H+Cl"	33.962126
"934200"	173.030963	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-H+Cl"	33.962126
"277135"	659.169002	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+Cl"	34.969402
"670648"	971.268802	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+Cl"	34.969402
"1278679"	347.069202	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Cl"	34.969402
"29744"	661.148206	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M-2H+K"	36.948606
"469550"	973.248006	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M-2H+K"	36.948606
"844068"	349.048406	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-2H+K"	36.948606
"1567555"	349.048406	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+K-2H"	36.948606
"952155"	357.097994	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-H+HCOOH"	44.998194
"368183"	669.197801	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+HCOOH-H"	44.998201
"348786"	683.213451	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+Hac-H"	59.013851
"1500899"	371.113651	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Hac-H"	59.013851
"965161"	379.079951	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-H+NaCOOH"	66.980151
"116254"	347.069202	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+2Cl"	69.938804
"553628"	503.119102	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+2Cl"	69.938804
"1032268"	191.019302	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2Cl"	69.938804
"1250753"	391.018685	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Br"	78.918885
"1307736"	393.074672	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Cl+HCOOH"	80.974872
"1329610"	415.056629	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Cl+NaCOOH"	102.956829
"922855"	425.085386	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M-H+CF3COOH"	112.985586
"1301390"	461.062064	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Cl+CF3COOH"	148.962264
"1377728"	277.087124	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H-2H2O"	-35.012676
"1388661"	295.0971	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H-H2O"	-17.0027
"289440"	625.206876	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+H"	1.007276
"682953"	937.306676	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+H"	1.007276
"1358211"	313.107076	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H"	1.007276
"132192"	313.107076	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+2H"	2.014552
"569563"	469.156976	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+2H"	2.014552
"1042736"	157.057176	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2H"	2.014552
"207722"	209.073809333333	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+3H"	3.021828
"654574"	313.107076	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+3H"	3.021828
"1167231"	105.040542666667	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+3H"	3.021828
"430503"	642.233423	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+NH4"	18.033823
"787367"	954.333223	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+NH4"	18.033823
"1682120"	330.133623	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+NH4"	18.033823
"335021"	321.6203495	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+H+NH4"	19.041099
"731825"	477.6702495	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+H+NH4"	19.041099
"1484555"	165.5704495	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H+NH4"	19.041099
"398860"	647.188818	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+Na"	22.989218
"760945"	959.288618	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+Na"	22.989218
"1612330"	335.089018	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Na"	22.989218
"322363"	324.098047	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+H+Na"	23.996494
"716969"	480.147947	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+H+Na"	23.996494
"1471885"	168.048147	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H+Na"	23.996494
"1058569"	112.367856666667	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2H+Na"	25.00377
"1263527"	345.133286	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+CH3OH+H"	33.033486
"381011"	663.162758	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+K"	38.963158
"747477"	975.262558	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+K"	38.963158
"1547343"	351.062958	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+K"	38.963158
"307801"	332.085017	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+H+K"	39.970434
"704965"	488.134917	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+H+K"	39.970434
"1459516"	176.035117	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H+K"	39.970434
"249818"	666.233426	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+ACN+H"	42.033826
"1224471"	354.133626	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+ACN+H"	42.033826
"1209083"	177.570451	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+ACN+2H"	43.041102
"203539"	669.17076	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+2Na-H"	44.97116
"642605"	981.27056	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+2Na-H"	44.97116
"1141371"	357.07096	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2Na-H"	44.97116
"180651"	335.089018	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+2Na"	45.978436
"620213"	491.138918	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+2Na"	45.978436
"1122623"	179.039118	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2Na"	45.978436
"1402139"	119.695170666667	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H+2Na"	46.985712
"1433888"	359.112546	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H+HCOOH"	47.012746
"225039"	340.12204	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+3H2O+2H"	56.04448
"1511279"	373.16459	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+IsoProp+H"	61.06479
"410601"	343.075988	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+Na+K"	61.952376
"782907"	499.125888	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+Na+K"	61.952376
"1676319"	187.026088	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Na+K"	61.952376
"262840"	688.215368	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+ACN+Na"	64.015768
"1236641"	376.115568	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+ACN+Na"	64.015768
"1724433"	376.139093	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+NH4+HCOOH"	64.039293
"1191612"	127.022484666667	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+3Na"	68.967654
"1661142"	381.094488	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Na+HCOOH"	68.994688
"166547"	701.11864	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+2K-H"	76.91904
"602829"	1013.21844	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+2K-H"	76.91904
"1089527"	389.01884	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2K-H"	76.91904
"146344"	351.062958	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"2M+2K"	77.926316
"588091"	507.112858	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"3M+2K"	77.926316
"1072606"	195.013058	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2K"	77.926316
"1111286"	391.033392	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2K+H"	78.933592
"1341109"	391.121007	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+DMSO+H"	79.021207
"1011824"	395.160176	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2ACN+H"	83.060376
"1529949"	396.153808	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+IsoProp+Na+H"	84.054008
"1001867"	198.083726	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+2ACN+2H"	84.067652
"1593089"	397.068428	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+K+HCOOH"	84.968628
"1420933"	427.099938	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+H+CF3COOH"	115.000138
"1157785"	218.597001	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+3ACN+2H"	125.094202
"1708431"	444.126485	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+NH4+CF3COOH"	132.026685
"1640803"	449.08188	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+Na+CF3COOH"	136.98208
"1574267"	465.05582	"C10045"	"357-Trimethoxyflavone;Galangin 357-trimethyl ether;Chromen-4-one 357-trimethoxy-2-phenyl-"	"C18H16O5"	"312.0998"	"M+K+CF3COOH"	152.95602
"807915"	284.0685	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M"	0
"978170"	265.05011	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"70788"	188.371724	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"508161"	283.061224	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"885962"	93.682224	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"10005"	283.061224	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"455403"	425.095474	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"830651"	141.026974	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"87363"	567.129724	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"530207"	851.198224	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"905820"	283.061224	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"60079"	584.156271	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"499759"	868.224771	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"873185"	300.087771	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"45463"	589.111666	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"485632"	873.180166	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"854440"	305.043166	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1622880"	305.043166	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"95398"	301.049563	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"536052"	443.083813	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"937593"	159.015313	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"277245"	603.106402	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"671851"	887.174902	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1280976"	319.037902	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"29731"	605.085606	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"468201"	889.154106	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"844178"	321.017106	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1566572"	321.017106	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"952265"	329.066694	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"367198"	613.135201	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"349989"	627.150851	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1496634"	343.082351	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"963084"	351.048651	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"116364"	319.037902	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"554832"	461.072152	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1032378"	177.003652	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1249770"	362.987385	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1307846"	365.043372	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1329720"	387.025329	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"921872"	397.054086	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1301500"	433.030764	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1377838"	249.055824	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1388771"	267.0658	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"288456"	569.144276	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"677596"	853.212776	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1357227"	285.075776	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"129386"	285.075776	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"567122"	427.110026	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1042848"	143.041526	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"208560"	190.386276	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"651405"	285.075776	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1168435"	95.696776	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"430612"	586.170823	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"787599"	870.239323	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1683688"	302.102323	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"332580"	293.5890495	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"726096"	435.6232995	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1481383"	151.5547995	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"396784"	591.126218	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"759962"	875.194718	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1610254"	307.057718	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"321380"	296.066747	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"712707"	438.100997	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1469809"	154.032497	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1057586"	103.02409	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1260719"	317.101986	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"382214"	607.100158	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"745401"	891.168658	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1545267"	323.031658	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"307911"	304.053717	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"704710"	446.087967	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1457439"	162.019467	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"250539"	610.170826	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1224580"	326.102326	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1208098"	163.554801	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"203649"	613.10816	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"641622"	897.17666	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1142575"	329.03966	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"182584"	307.057718	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"620323"	449.091968	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1121640"	165.023468	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1401155"	110.351404	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1435090"	331.081246	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"224785"	312.09074	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1511754"	345.13329	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"411441"	315.044688	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"783381"	457.078938	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1675335"	173.010438	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"261857"	632.152768	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1235657"	348.084268	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1723449"	348.107793	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1187710"	117.678718	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1660883"	353.063188	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"164464"	645.05604	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"606212"	929.12454	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1089630"	360.98754	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"143167"	323.031658	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"583821"	465.065908	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1072710"	180.997408	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1105922"	363.002092	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1337932"	363.089707	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1013029"	367.128876	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1527869"	368.122508	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"997598"	184.068076	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1593197"	369.037128	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1421042"	399.068638	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1150237"	204.581351	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1708541"	416.095185	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1640913"	421.05058	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1574377"	437.02452	"C10046"	"Genkwanin;Apigenin 7-methyl ether"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"804744"	284.0685	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M"	0
"978280"	265.05011	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"74178"	188.371724	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"511551"	283.061224	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"886072"	93.682224	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"15180"	283.061224	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"455348"	425.095474	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"831858"	141.026974	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"90753"	567.129724	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"533599"	851.198224	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"910672"	283.061224	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"62375"	584.156271	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"501813"	868.224771	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"878399"	300.087771	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"46303"	589.111666	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"486105"	873.180166	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"850905"	305.043166	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1622626"	305.043166	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"95142"	301.049563	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"536526"	443.083813	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"941711"	159.015313	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"281606"	603.106402	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"671961"	887.174902	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1282179"	319.037902	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"29721"	605.085606	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"468311"	889.154106	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"843195"	321.017106	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1565588"	321.017106	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"952375"	329.066694	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"370588"	613.135201	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"351191"	627.150851	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1495650"	343.082351	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"965381"	351.048651	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"115381"	319.037902	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"558222"	461.072152	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1033581"	177.003652	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1250973"	362.987385	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1311236"	365.043372	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1333110"	387.025329	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"927022"	397.054086	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1303432"	433.030764	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1375759"	249.055824	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1387788"	267.0658	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"292940"	569.144276	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"682080"	853.212776	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1357337"	285.075776	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"130225"	285.075776	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"573065"	427.110026	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1047332"	143.041526	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"211953"	190.386276	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"655888"	285.075776	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1172919"	95.696776	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"434004"	586.170823	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"793908"	870.239323	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1686959"	302.102323	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"336334"	293.5890495	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"729850"	435.6232995	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1485865"	151.5547995	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"400173"	591.126218	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"761165"	875.194718	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1610364"	307.057718	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"323676"	296.066747	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"716096"	438.100997	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1471013"	154.032497	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1062069"	103.02409	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1262652"	317.101986	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"387790"	607.100158	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"750248"	891.168658	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1546470"	323.031658	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"308021"	304.053717	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"705913"	446.087967	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1458278"	162.019467	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"250283"	610.170826	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1223959"	326.102326	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1207113"	163.554801	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"203634"	613.10816	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"639544"	897.17666	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1139405"	329.03966	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"183786"	307.057718	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"622984"	449.091968	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1121750"	165.023468	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1403087"	110.351404	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1439577"	331.081246	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"224898"	312.09074	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1512957"	345.13329	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"410458"	315.044688	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"785072"	457.078938	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1676539"	173.010438	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"260874"	632.152768	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1234674"	348.084268	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1723559"	348.107793	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1184540"	117.678718	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1659900"	353.063188	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"165668"	645.05604	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"608509"	929.12454	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1091928"	360.98754	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"144369"	323.031658	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"583561"	465.065908	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1071727"	180.997408	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1106032"	363.002092	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1337070"	363.089707	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1012046"	367.128876	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1531259"	368.122508	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"994428"	184.068076	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1594400"	369.037128	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1422245"	399.068638	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1153627"	204.581351	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1702089"	416.095185	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1634823"	421.05058	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1574487"	437.02452	"C10047"	"Geraldone;5-Deoxychrysoeriol"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"801613"	566.1213	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M"	0
"978390"	547.10291	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-H2O-H"	-19.01839
"71008"	376.406924	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M-3H"	-3.021828
"508381"	565.114024	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M-3H"	-3.021828
"882902"	187.699824	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-3H"	-3.021828
"14236"	565.114024	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M-2H"	-2.014552
"454161"	848.174674	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M-2H"	-2.014552
"831479"	282.053374	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-2H"	-2.014552
"87583"	1131.235324	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M-H"	-1.007276
"532858"	1697.356624	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M-H"	-1.007276
"909079"	565.114024	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-H"	-1.007276
"61149"	1148.261871	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M-2H+NH4"	16.019271
"498885"	1714.383171	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M-2H+NH4"	16.019271
"877415"	582.140571	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-2H+NH4"	16.019271
"44591"	1153.217266	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M-2H+Na"	20.974666
"483056"	1719.338566	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M-2H+Na"	20.974666
"854297"	587.095966	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-2H+Na"	20.974666
"1623466"	587.095966	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Na-2H"	20.974666
"95984"	583.102363	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M-H+Cl"	33.962126
"534360"	866.163013	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M-H+Cl"	33.962126
"940728"	300.041713	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-H+Cl"	33.962126
"279652"	1167.212002	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+Cl"	34.969402
"674259"	1733.333302	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+Cl"	34.969402
"1281196"	601.090702	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Cl"	34.969402
"28858"	1169.191206	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M-2H+K"	36.948606
"466964"	1735.312506	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M-2H+K"	36.948606
"843305"	603.069906	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-2H+K"	36.948606
"1565698"	603.069906	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+K-2H"	36.948606
"952485"	611.119494	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-H+HCOOH"	44.998194
"369605"	1177.240801	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+HCOOH-H"	44.998201
"348022"	1191.256451	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+Hac-H"	59.013851
"1493574"	625.135151	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Hac-H"	59.013851
"965491"	633.101451	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-H+NaCOOH"	66.980151
"114398"	601.090702	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+2Cl"	69.938804
"558332"	884.151352	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+2Cl"	69.938804
"1032233"	318.030052	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2Cl"	69.938804
"1247803"	645.040185	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Br"	78.918885
"1310254"	647.096172	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Cl+HCOOH"	80.974872
"1329940"	669.078129	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Cl+NaCOOH"	102.956829
"924644"	679.106886	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M-H+CF3COOH"	112.985586
"1301719"	715.083564	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Cl+CF3COOH"	148.962264
"1375869"	531.108624	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H-2H2O"	-35.012676
"1384618"	549.1186	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H-H2O"	-17.0027
"287584"	1133.249876	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+H"	1.007276
"676844"	1699.371176	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+H"	1.007276
"1355261"	567.128576	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H"	1.007276
"130336"	567.128576	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+2H"	2.014552
"573175"	850.189226	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+2H"	2.014552
"1044163"	284.067926	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2H"	2.014552
"209876"	378.421476	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+3H"	3.021828
"653811"	567.128576	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+3H"	3.021828
"1169749"	189.714376	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+3H"	3.021828
"434115"	1150.276423	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+NH4"	18.033823
"792924"	1716.397723	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+NH4"	18.033823
"1685245"	584.155123	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+NH4"	18.033823
"336444"	575.6418495	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+H+NH4"	19.041099
"727774"	858.7024995	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+H+NH4"	19.041099
"1484882"	292.5811995	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H+NH4"	19.041099
"399190"	1155.231818	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+Na"	22.989218
"761275"	1721.353118	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+Na"	22.989218
"1608288"	589.110518	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Na"	22.989218
"324879"	578.119547	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+H+Na"	23.996494
"716206"	861.180197	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+H+Na"	23.996494
"1470025"	295.058897	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H+Na"	23.996494
"1061083"	197.04169	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2H+Na"	25.00377
"1263855"	599.154786	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+CH3OH+H"	33.033486
"386807"	1171.205758	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+K"	38.963158
"749993"	1737.327058	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+K"	38.963158
"1548767"	605.084458	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+K"	38.963158
"309224"	586.106517	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+H+K"	39.970434
"704930"	869.167167	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+H+K"	39.970434
"1459117"	303.045867	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H+K"	39.970434
"251124"	1174.276426	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+ACN+H"	42.033826
"1224069"	608.155126	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+ACN+H"	42.033826
"1207223"	304.581201	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+ACN+2H"	43.041102
"203016"	1177.21376	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+2Na-H"	44.97116
"641477"	1743.33506	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+2Na-H"	44.97116
"1137691"	611.09246	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2Na-H"	44.97116
"183896"	589.110518	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+2Na"	45.978436
"619448"	872.171168	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+2Na"	45.978436
"1121860"	306.049868	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2Na"	45.978436
"1404291"	204.369004	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H+2Na"	46.985712
"1439687"	613.134046	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H+HCOOH"	47.012746
"226101"	594.14354	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+3H2O+2H"	56.04448
"1514161"	627.18609	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+IsoProp+H"	61.06479
"411662"	597.097488	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+Na+K"	61.952376
"784695"	880.158138	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+Na+K"	61.952376
"1674462"	314.036838	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Na+K"	61.952376
"258795"	1196.258368	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+ACN+Na"	64.015768
"1229315"	630.137068	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+ACN+Na"	64.015768
"1717108"	630.160593	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+NH4+HCOOH"	64.039293
"1181368"	211.696318	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+3Na"	68.967654
"1657823"	635.115988	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Na+HCOOH"	68.994688
"160310"	1209.16164	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+2K-H"	76.91904
"606432"	1775.28294	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+2K-H"	76.91904
"1089850"	643.04034	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2K-H"	76.91904
"142656"	605.084458	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"2M+2K"	77.926316
"583186"	888.145108	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"3M+2K"	77.926316
"1074024"	322.023808	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2K"	77.926316
"1105049"	645.054892	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2K+H"	78.933592
"1339245"	645.142507	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+DMSO+H"	79.021207
"1013245"	649.181676	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2ACN+H"	83.060376
"1531369"	650.175308	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+IsoProp+Na+H"	84.054008
"994538"	325.094476	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+2ACN+2H"	84.067652
"1592324"	651.089928	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+K+HCOOH"	84.968628
"1423449"	681.121438	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+H+CF3COOH"	115.000138
"1153738"	345.607751	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+3ACN+2H"	125.094202
"1701106"	698.147985	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+NH4+CF3COOH"	132.026685
"1635662"	703.10338	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+Na+CF3COOH"	136.98208
"1574597"	719.07732	"C10048"	"Ginkgetin;Amentoflavone 74-dimethyl ether"	"C32H22O10"	"566.1213"	"M+K+CF3COOH"	152.95602
"802048"	338.1154	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M"	0
"979593"	319.09701	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"71118"	224.402990666667	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"508491"	337.108124	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"884105"	111.697857333333	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"14346"	337.108124	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"455005"	506.165824	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"830618"	168.050424	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"88786"	675.223524	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"532726"	1013.338924	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"908946"	337.108124	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"59436"	692.250071	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"498996"	1030.365471	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"875702"	354.134671	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"44698"	697.205466	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"484990"	1035.320866	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"854409"	359.090066	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1622848"	359.090066	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"96094"	355.096463	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"536015"	524.154163	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"937922"	186.038763	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"275388"	711.200202	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"668901"	1049.315602	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1275109"	373.084802	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"26051"	713.179406	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"467801"	1051.294806	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"844508"	375.064006	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1566901"	375.064006	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"949315"	383.113594	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"369715"	721.229001	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"349225"	735.244651	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1494412"	397.129251	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"965601"	405.095551	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"114508"	373.084802	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"558442"	542.142502	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1027240"	204.027102	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1250099"	417.034285	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1310364"	419.090272	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1330050"	441.072229	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"924755"	451.100986	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1300005"	487.077664	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1379258"	303.102724	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1393474"	321.1127	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"284412"	677.238076	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"685580"	1015.353476	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1353185"	339.122676	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"126801"	339.122676	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"571100"	508.180376	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1042086"	170.064976	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"212173"	226.417542666667	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"652828"	339.122676	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1169860"	113.712409333333	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"437505"	694.264623	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"793035"	1032.380023	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1684988"	356.149223	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"336554"	347.6359495	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"728977"	516.6936495	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1483898"	178.5782495	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"399299"	699.220018	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"762478"	1037.335418	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1609491"	361.104618	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"322802"	350.113647	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"715222"	519.171347	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1466855"	181.055947	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1056090"	121.039723333333	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1260685"	371.148886	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"379262"	715.193958	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"745728"	1053.309358	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1551063"	377.078558	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"310063"	358.100617	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"706745"	527.158317	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1458498"	189.042917	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"250990"	718.264626	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1223815"	380.149226	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1206240"	190.578251	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"202033"	721.20196	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"640859"	1059.31736	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1138894"	383.08656	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"184370"	361.104618	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"620651"	530.162318	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1124157"	192.046918	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1405494"	128.367037333333	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1442713"	385.128146	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"228398"	366.13764	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1514271"	399.18019	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"410679"	369.091588	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"782257"	538.149288	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1673478"	200.033888	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"257810"	740.246568	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1229056"	402.131168	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1717213"	402.154693	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1180379"	135.694351333333	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1653556"	407.110088	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"160419"	753.14984	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"602163"	1091.26524	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1091048"	415.03444	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"148958"	377.078558	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"585239"	546.136258	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1069513"	208.020858	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1104064"	417.048992	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1337168"	417.136607	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1013355"	421.175776	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1528198"	422.169408	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"995740"	211.091526	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1590245"	423.084028	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1420278"	453.115538	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1149474"	231.604801	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1702309"	470.142085	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1634679"	475.09748	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1574707"	491.07142	"C10049"	"Glepidotin A;8-Prenylgalangin;8-(33-DMA)galangin;8-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"803251"	464.0955	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M"	0
"985171"	445.07711	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-H2O-H"	-19.01839
"71228"	308.389724	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M-3H"	-3.021828
"508601"	463.088224	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M-3H"	-3.021828
"885308"	153.691224	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-3H"	-3.021828
"14820"	463.088224	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H"	-2.014552
"455192"	695.135974	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H"	-2.014552
"823436"	231.040474	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H"	-2.014552
"86707"	927.183724	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M-H"	-1.007276
"531255"	1391.279224	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M-H"	-1.007276
"908447"	463.088224	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-H"	-1.007276
"58452"	944.210271	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H+NH4"	16.019271
"499107"	1408.305771	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H+NH4"	16.019271
"874720"	480.114771	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H+NH4"	16.019271
"43716"	949.165666	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H+Na"	20.974666
"484736"	1413.261166	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H+Na"	20.974666
"853424"	485.070166	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H+Na"	20.974666
"1621499"	485.070166	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na-2H"	20.974666
"95473"	481.076563	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M-H+Cl"	33.962126
"535273"	713.124313	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M-H+Cl"	33.962126
"939855"	249.028813	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+Cl"	33.962126
"278415"	963.160402	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Cl"	34.969402
"669011"	1427.255902	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+Cl"	34.969402
"1281417"	499.064902	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl"	34.969402
"28715"	965.139606	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H+K"	36.948606
"467548"	1429.235106	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H+K"	36.948606
"840246"	501.044106	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H+K"	36.948606
"1564826"	501.044106	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+K-2H"	36.948606
"950518"	509.093694	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+HCOOH"	44.998194
"369825"	973.189201	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+HCOOH-H"	44.998201
"349335"	987.204851	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Hac-H"	59.013851
"1494887"	523.109351	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Hac-H"	59.013851
"963524"	531.075651	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+NaCOOH"	66.980151
"117898"	499.064902	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2Cl"	69.938804
"558553"	731.112652	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2Cl"	69.938804
"1029538"	267.017152	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2Cl"	69.938804
"1252397"	543.014385	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Br"	78.918885
"1315213"	545.070372	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl+HCOOH"	80.974872
"1330160"	567.052329	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl+NaCOOH"	102.956829
"923406"	577.081086	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+CF3COOH"	112.985586
"1300113"	613.057764	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl+CF3COOH"	148.962264
"1377182"	429.082824	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H-2H2O"	-35.012676
"1391397"	447.0928	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H-H2O"	-17.0027
"287802"	929.198276	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H"	1.007276
"685690"	1393.293776	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H"	1.007276
"1354383"	465.102776	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H"	1.007276
"131648"	465.102776	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2H"	2.014552
"568292"	697.150526	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2H"	2.014552
"1049849"	233.055026	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2H"	2.014552
"217386"	310.404276	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+3H"	3.021828
"658405"	465.102776	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+3H"	3.021828
"1168876"	155.705776	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+3H"	3.021828
"433241"	946.224823	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+NH4"	18.033823
"793145"	1410.320323	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+NH4"	18.033823
"1685829"	482.129323	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+NH4"	18.033823
"334472"	473.6160495	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H+NH4"	19.041099
"729447"	705.6637995	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H+NH4"	19.041099
"1484006"	241.5682995	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+NH4"	19.041099
"401595"	951.180218	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Na"	22.989218
"762588"	1415.275718	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+Na"	22.989218
"1611787"	487.084718	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na"	22.989218
"324005"	476.093747	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H+Na"	23.996494
"716425"	708.141497	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H+Na"	23.996494
"1466965"	244.045997	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+Na"	23.996494
"1055836"	163.03309	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2H+Na"	25.00377
"1262982"	497.128986	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+CH3OH+H"	33.033486
"380465"	967.154158	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+K"	38.963158
"745838"	1431.249658	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+K"	38.963158
"1550809"	503.058658	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+K"	38.963158
"307987"	484.080717	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H+K"	39.970434
"705514"	716.128467	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H+K"	39.970434
"1459948"	252.032967	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+K"	39.970434
"250491"	970.224826	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+ACN+H"	42.033826
"1223925"	506.129326	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+ACN+H"	42.033826
"1206350"	253.568301	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+ACN+2H"	43.041102
"202872"	973.16216	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2Na-H"	44.97116
"639510"	1437.25766	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2Na-H"	44.97116
"1139004"	509.06666	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2Na-H"	44.97116
"184480"	487.084718	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2Na"	45.978436
"621854"	719.132468	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2Na"	45.978436
"1124267"	255.036968	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2Na"	45.978436
"1407792"	170.360404	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+2Na"	46.985712
"1443918"	511.108246	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+HCOOH"	47.012746
"231788"	492.11774	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+3H2O+2H"	56.04448
"1517662"	525.16029	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+IsoProp+H"	61.06479
"414068"	495.071688	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Na+K"	61.952376
"780543"	727.119438	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+Na+K"	61.952376
"1674681"	263.023938	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na+K"	61.952376
"252815"	992.206768	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+ACN+Na"	64.015768
"1230624"	528.111268	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+ACN+Na"	64.015768
"1718417"	528.134793	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+NH4+HCOOH"	64.039293
"1184864"	177.687718	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+3Na"	68.967654
"1655122"	533.090188	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na+HCOOH"	68.994688
"161620"	1005.11004	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2K-H"	76.91904
"604459"	1469.20554	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2K-H"	76.91904
"1092252"	541.01454	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2K-H"	76.91904
"149069"	503.058658	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2K"	77.926316
"584623"	735.106408	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2K"	77.926316
"1069013"	271.010908	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2K"	77.926316
"1101981"	543.029092	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2K+H"	78.933592
"1337392"	543.116707	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+DMSO+H"	79.021207
"1005802"	547.155876	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2ACN+H"	83.060376
"1526121"	548.149508	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+IsoProp+Na+H"	84.054008
"991597"	274.081576	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+2ACN+2H"	84.067652
"1590355"	549.064128	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+K+HCOOH"	84.968628
"1417471"	579.095638	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+CF3COOH"	115.000138
"1148854"	294.594851	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+3ACN+2H"	125.094202
"1699137"	596.122185	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+NH4+CF3COOH"	132.026685
"1634826"	601.07758	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na+CF3COOH"	136.98208
"1574817"	617.05152	"C10050"	"Gossypetin 8-rhamnoside"	"C21H20O12"	"464.0955"	"M+K+CF3COOH"	152.95602
"804090"	480.0904	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M"	0
"978720"	461.07201	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-H2O-H"	-19.01839
"71338"	319.052990666667	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M-3H"	-3.021828
"509804"	479.083124	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M-3H"	-3.021828
"884325"	159.022857333333	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-3H"	-3.021828
"15566"	479.083124	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M-2H"	-2.014552
"455604"	719.128324	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M-2H"	-2.014552
"825732"	239.037924	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-2H"	-2.014552
"86817"	959.173524	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M-H"	-1.007276
"533672"	1439.263924	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M-H"	-1.007276
"907463"	479.083124	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-H"	-1.007276
"61478"	976.200071	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M-2H+NH4"	16.019271
"498122"	1456.290471	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M-2H+NH4"	16.019271
"873734"	496.109671	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-2H+NH4"	16.019271
"44920"	981.155466	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M-2H+Na"	20.974666
"485455"	1461.245866	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M-2H+Na"	20.974666
"854262"	501.065066	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-2H+Na"	20.974666
"1622702"	501.065066	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Na-2H"	20.974666
"96313"	497.071463	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M-H+Cl"	33.962126
"535507"	737.116663	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M-H+Cl"	33.962126
"938142"	257.026263	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-H+Cl"	33.962126
"281075"	995.150202	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+Cl"	34.969402
"666934"	1475.240602	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+Cl"	34.969402
"1282620"	515.059802	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Cl"	34.969402
"29798"	997.129406	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M-2H+K"	36.948606
"468386"	1477.219806	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M-2H+K"	36.948606
"840354"	517.039006	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-2H+K"	36.948606
"1566027"	517.039006	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+K-2H"	36.948606
"948439"	525.088594	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-H+HCOOH"	44.998194
"365560"	1005.179001	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+HCOOH-H"	44.998201
"348351"	1019.194651	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+Hac-H"	59.013851
"1497182"	539.104251	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Hac-H"	59.013851
"964727"	547.070551	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-H+NaCOOH"	66.980151
"118009"	515.059802	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+2Cl"	69.938804
"561945"	755.105002	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+2Cl"	69.938804
"1030743"	275.014602	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2Cl"	69.938804
"1255061"	559.009285	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Br"	78.918885
"1314958"	561.065272	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Cl+HCOOH"	80.974872
"1325894"	583.047229	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Cl+NaCOOH"	102.956829
"919140"	593.075986	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M-H+CF3COOH"	112.985586
"1292568"	629.052664	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Cl+CF3COOH"	148.962264
"1372918"	445.077724	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H-2H2O"	-35.012676
"1389320"	463.0877	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H-H2O"	-17.0027
"289004"	961.188076	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+H"	1.007276
"684706"	1441.278476	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+H"	1.007276
"1356682"	481.097676	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H"	1.007276
"138684"	481.097676	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+2H"	2.014552
"571319"	721.142876	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+2H"	2.014552
"1047772"	241.052476	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2H"	2.014552
"216767"	321.067542666667	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+3H"	3.021828
"658515"	481.097676	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+3H"	3.021828
"1174453"	161.037409333333	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+3H"	3.021828
"436631"	978.214623	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+NH4"	18.033823
"797629"	1458.305023	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+NH4"	18.033823
"1687763"	498.124223	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+NH4"	18.033823
"336042"	489.6109495	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+H+NH4"	19.041099
"731378"	729.6561495	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+H+NH4"	19.041099
"1483023"	249.5657495	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H+NH4"	19.041099
"400612"	983.170018	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+Na"	22.989218
"762698"	1463.260418	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+Na"	22.989218
"1614448"	503.079618	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Na"	22.989218
"325208"	492.088647	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+H+Na"	23.996494
"715442"	732.133847	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+H+Na"	23.996494
"1465982"	252.043447	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H+Na"	23.996494
"1054853"	168.364723333333	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2H+Na"	25.00377
"1263092"	513.123886	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+CH3OH+H"	33.033486
"381668"	999.143958	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+K"	38.963158
"744851"	1479.234358	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+K"	38.963158
"1550189"	519.053558	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+K"	38.963158
"303354"	500.075617	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+H+K"	39.970434
"697600"	740.120817	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+H+K"	39.970434
"1460706"	260.030417	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H+K"	39.970434
"250807"	1002.214626	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+ACN+H"	42.033826
"1222577"	522.124226	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+ACN+H"	42.033826
"1206461"	261.565751	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+ACN+2H"	43.041102
"203226"	1005.15196	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+2Na-H"	44.97116
"640711"	1485.24236	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+2Na-H"	44.97116
"1142393"	525.06156	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2Na-H"	44.97116
"181309"	503.079618	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+2Na"	45.978436
"623057"	743.124818	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+2Na"	45.978436
"1125470"	263.034418	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2Na"	45.978436
"1412275"	175.692037333333	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H+2Na"	46.985712
"1444636"	527.103146	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H+HCOOH"	47.012746
"234085"	508.11264	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+3H2O+2H"	56.04448
"1519959"	541.15519	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+IsoProp+H"	61.06479
"416365"	511.066588	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+Na+K"	61.952376
"781017"	751.111788	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+Na+K"	61.952376
"1674791"	271.021388	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Na+K"	61.952376
"256569"	1024.196568	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+ACN+Na"	64.015768
"1230371"	544.106168	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+ACN+Na"	64.015768
"1721807"	544.129693	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+NH4+HCOOH"	64.039293
"1189348"	183.019351333333	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+3Na"	68.967654
"1657055"	549.085088	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Na+HCOOH"	68.994688
"163917"	1037.09984	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+2K-H"	76.91904
"606755"	1517.19024	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+2K-H"	76.91904
"1094549"	557.00944	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2K-H"	76.91904
"150274"	519.053558	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"2M+2K"	77.926316
"588744"	759.098758	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"3M+2K"	77.926316
"1071065"	279.008358	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2K"	77.926316
"1103182"	559.023992	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2K+H"	78.933592
"1338837"	559.111607	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+DMSO+H"	79.021207
"1008466"	563.150776	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2ACN+H"	83.060376
"1527324"	564.144408	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+IsoProp+Na+H"	84.054008
"993043"	282.079026	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+2ACN+2H"	84.067652
"1590829"	565.059028	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+K+HCOOH"	84.968628
"1417581"	595.090538	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+H+CF3COOH"	115.000138
"1149694"	302.592301	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+3ACN+2H"	125.094202
"1699611"	612.117085	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+NH4+CF3COOH"	132.026685
"1635990"	617.07248	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+Na+CF3COOH"	136.98208
"1574927"	633.04642	"C10051"	"Gossypin;Gossypetin 8-O-glucoside"	"C21H20O13"	"480.0904"	"M+K+CF3COOH"	152.95602
"802378"	274.0477	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M"	0
"978830"	255.02931	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H2O-H"	-19.01839
"71448"	181.691190666667	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-3H"	-3.021828
"508821"	273.040424	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-3H"	-3.021828
"884435"	90.3419573333333	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-3H"	-3.021828
"15040"	273.040424	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H"	-2.014552
"455088"	410.064274	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H"	-2.014552
"824750"	136.016574	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H"	-2.014552
"83648"	547.088124	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-H"	-1.007276
"533823"	821.135824	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-H"	-1.007276
"906480"	273.040424	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H"	-1.007276
"59766"	564.114671	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+NH4"	16.019271
"497138"	838.162371	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+NH4"	16.019271
"870564"	290.066971	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+NH4"	16.019271
"41748"	569.070066	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+Na"	20.974666
"482403"	843.117766	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+Na"	20.974666
"849997"	295.022366	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+Na"	20.974666
"1620260"	295.022366	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na-2H"	20.974666
"95331"	291.028763	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-H+Cl"	33.962126
"535735"	428.052613	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-H+Cl"	33.962126
"940437"	154.004913	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+Cl"	33.962126
"275717"	583.064802	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Cl"	34.969402
"667044"	857.112502	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Cl"	34.969402
"1276168"	309.017102	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl"	34.969402
"28569"	585.044006	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+K"	36.948606
"469224"	859.091706	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+K"	36.948606
"840464"	310.996306	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+K"	36.948606
"1565043"	310.996306	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K-2H"	36.948606
"948549"	319.045894	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+HCOOH"	44.998194
"361660"	593.093601	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+HCOOH-H"	44.998201
"347368"	607.109251	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Hac-H"	59.013851
"1494011"	333.061551	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Hac-H"	59.013851
"965201"	341.027851	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+NaCOOH"	66.980151
"118119"	309.017102	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Cl"	69.938804
"562055"	446.040952	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Cl"	69.938804
"1030853"	171.993252	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Cl"	69.938804
"1254805"	352.966585	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Br"	78.918885
"1315068"	355.022572	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+HCOOH"	80.974872
"1326004"	377.004529	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+NaCOOH"	102.956829
"917063"	387.033286	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+CF3COOH"	112.985586
"1293771"	423.009964	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+CF3COOH"	148.962264
"1373028"	239.035024	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H-2H2O"	-35.012676
"1391617"	257.045	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H-H2O"	-17.0027
"293490"	549.102676	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H"	1.007276
"683723"	823.150376	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H"	1.007276
"1355700"	275.054976	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H"	1.007276
"138429"	275.054976	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2H"	2.014552
"571429"	412.078826	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2H"	2.014552
"1047882"	138.031126	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2H"	2.014552
"215784"	183.705742666667	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H"	3.021828
"658628"	275.054976	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+3H"	3.021828
"1176388"	92.3565093333333	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3H"	3.021828
"435649"	566.129223	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+NH4"	18.033823
"793367"	840.176923	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+NH4"	18.033823
"1688966"	292.081523	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4"	18.033823
"339066"	283.5682495	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+NH4"	19.041099
"732580"	420.5920995	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+NH4"	19.041099
"1480946"	146.5443995	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+NH4"	19.041099
"399629"	571.084618	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na"	22.989218
"762808"	845.132318	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na"	22.989218
"1614193"	297.036918	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na"	22.989218
"322039"	286.045947	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+Na"	23.996494
"714459"	423.069797	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+Na"	23.996494
"1466092"	149.022097	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+Na"	23.996494
"1054963"	99.6838233333333	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2H+Na"	25.00377
"1259922"	307.081186	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+CH3OH+H"	33.033486
"380685"	587.058558	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+K"	38.963158
"742775"	861.106258	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+K"	38.963158
"1548477"	313.010858	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K"	38.963158
"303100"	294.032917	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+K"	39.970434
"698803"	431.056767	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+K"	39.970434
"1460530"	157.009067	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+K"	39.970434
"249252"	590.129226	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+H"	42.033826
"1220500"	316.081526	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+H"	42.033826
"1205477"	158.544401	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+2H"	43.041102
"202360"	593.06656	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na-H"	44.97116
"638999"	867.11426	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na-H"	44.97116
"1142503"	319.01886	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na-H"	44.97116
"178137"	297.036918	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na"	45.978436
"623165"	434.060768	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na"	45.978436
"1123393"	160.013068	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na"	45.978436
"1412143"	107.011137333333	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+2Na"	46.985712
"1445232"	321.060446	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+HCOOH"	47.012746
"234074"	302.06994	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H2O+2H"	56.04448
"1522257"	335.11249	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+H"	61.06479
"415382"	305.023888	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na+K"	61.952376
"781491"	442.047738	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na+K"	61.952376
"1672715"	168.000038	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+K"	61.952376
"258137"	612.111168	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+Na"	64.015768
"1232667"	338.063468	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+Na"	64.015768
"1719732"	338.086993	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+HCOOH"	64.039293
"1187272"	114.338451333333	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3Na"	68.967654
"1658258"	343.042388	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+HCOOH"	68.994688
"164027"	625.01444	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K-H"	76.91904
"605773"	899.06214	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K-H"	76.91904
"1090651"	350.96674	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K-H"	76.91904
"149293"	313.010858	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K"	77.926316
"588854"	450.034708	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K"	77.926316
"1069109"	175.987008	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K"	77.926316
"1101106"	352.981292	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K+H"	78.933592
"1336882"	353.068907	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+DMSO+H"	79.021207
"1009305"	357.108076	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+H"	83.060376
"1527435"	358.101708	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+Na+H"	84.054008
"993883"	179.057676	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+2H"	84.067652
"1589481"	359.016328	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K+HCOOH"	84.968628
"1416597"	389.047838	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+CF3COOH"	115.000138
"1148344"	199.570951	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3ACN+2H"	125.094202
"1697898"	406.074385	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+CF3COOH"	132.026685
"1636103"	411.02978	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+CF3COOH"	136.98208
"1575037"	427.00372	"C10052"	"Athyriol;3-Methoxy-167-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K+CF3COOH"	152.95602
"802124"	274.0477	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M"	0
"980033"	255.02931	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H2O-H"	-19.01839
"73745"	181.691190666667	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-3H"	-3.021828
"508931"	273.040424	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-3H"	-3.021828
"885638"	90.3419573333333	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-3H"	-3.021828
"14786"	273.040424	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H"	-2.014552
"452524"	410.064274	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H"	-2.014552
"831421"	136.016574	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H"	-2.014552
"90318"	547.088124	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-H"	-1.007276
"529883"	821.135824	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-H"	-1.007276
"904403"	273.040424	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H"	-1.007276
"57686"	564.114671	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+NH4"	16.019271
"495060"	838.162371	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+NH4"	16.019271
"870674"	290.066971	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+NH4"	16.019271
"38575"	569.070066	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+Na"	20.974666
"478503"	843.117766	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+Na"	20.974666
"849011"	295.022366	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+Na"	20.974666
"1619275"	295.022366	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na-2H"	20.974666
"95190"	291.028763	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-H+Cl"	33.962126
"534508"	428.052613	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-H+Cl"	33.962126
"939454"	154.004913	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+Cl"	33.962126
"275827"	583.064802	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Cl"	34.969402
"667154"	857.112502	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Cl"	34.969402
"1276278"	309.017102	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl"	34.969402
"18834"	585.044006	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+K"	36.948606
"461676"	859.091706	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+K"	36.948606
"836198"	310.996306	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+K"	36.948606
"1560779"	310.996306	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K-2H"	36.948606
"945379"	319.045894	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+HCOOH"	44.998194
"361809"	593.093601	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+HCOOH-H"	44.998201
"346750"	607.109251	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Hac-H"	59.013851
"1493999"	333.061551	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Hac-H"	59.013851
"959843"	341.027851	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+NaCOOH"	66.980151
"114947"	309.017102	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Cl"	69.938804
"556695"	446.040952	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Cl"	69.938804
"1028775"	171.993252	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Cl"	69.938804
"1254916"	352.966585	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Br"	78.918885
"1315178"	355.022572	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+HCOOH"	80.974872
"1327207"	377.004529	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+NaCOOH"	102.956829
"919359"	387.033286	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+CF3COOH"	112.985586
"1301170"	423.009964	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+CF3COOH"	148.962264
"1373138"	239.035024	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H-2H2O"	-35.012676
"1392820"	257.045	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H-H2O"	-17.0027
"293600"	549.102676	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H"	1.007276
"684926"	823.150376	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H"	1.007276
"1357996"	275.054976	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H"	1.007276
"139267"	275.054976	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2H"	2.014552
"579558"	412.078826	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2H"	2.014552
"1051883"	138.031126	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2H"	2.014552
"217960"	183.705742666667	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H"	3.021828
"658374"	275.054976	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+3H"	3.021828
"1173579"	92.3565093333333	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3H"	3.021828
"437461"	566.129223	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+NH4"	18.033823
"795664"	840.176923	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+NH4"	18.033823
"1689804"	292.081523	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4"	18.033823
"337352"	283.5682495	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+NH4"	19.041099
"730867"	420.5920995	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+NH4"	19.041099
"1479224"	146.5443995	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+NH4"	19.041099
"395351"	571.084618	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na"	22.989218
"754295"	845.132318	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na"	22.989218
"1605173"	297.036918	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na"	22.989218
"314972"	286.045947	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+Na"	23.996494
"707312"	423.069797	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+Na"	23.996494
"1463276"	149.022097	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+Na"	23.996494
"1054334"	99.6838233333333	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2H+Na"	25.00377
"1258930"	307.081186	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+CH3OH+H"	33.033486
"380795"	587.058558	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+K"	38.963158
"741062"	861.106258	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+K"	38.963158
"1549317"	313.010858	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K"	38.963158
"304308"	294.032917	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+K"	39.970434
"697820"	431.056767	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+K"	39.970434
"1459306"	157.009067	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+K"	39.970434
"250214"	590.129226	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+H"	42.033826
"1224258"	316.081526	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+H"	42.033826
"1207048"	158.544401	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+2H"	43.041102
"201743"	593.06656	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na-H"	44.97116
"639111"	867.11426	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na-H"	44.97116
"1142614"	319.01886	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na-H"	44.97116
"179342"	297.036918	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na"	45.978436
"621090"	434.060768	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na"	45.978436
"1123503"	160.013068	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na"	45.978436
"1411767"	107.011137333333	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+2Na"	46.985712
"1443517"	321.060446	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+HCOOH"	47.012746
"235160"	302.06994	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H2O+2H"	56.04448
"1522367"	335.11249	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+H"	61.06479
"417679"	305.023888	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na+K"	61.952376
"781238"	442.047738	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na+K"	61.952376
"1673919"	168.000038	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+K"	61.952376
"258250"	612.111168	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+Na"	64.015768
"1235693"	338.063468	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+Na"	64.015768
"1722030"	338.086993	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+HCOOH"	64.039293
"1189572"	114.338451333333	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3Na"	68.967654
"1659460"	343.042388	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+HCOOH"	68.994688
"167416"	625.01444	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K-H"	76.91904
"607343"	899.06214	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K-H"	76.91904
"1093676"	350.96674	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K-H"	76.91904
"150496"	313.010858	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K"	77.926316
"590060"	450.034708	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K"	77.926316
"1071287"	175.987008	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K"	77.926316
"1106685"	352.981292	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K+H"	78.933592
"1337600"	353.068907	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+DMSO+H"	79.021207
"1008322"	357.108076	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+H"	83.060376
"1528642"	358.101708	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+Na+H"	84.054008
"993995"	179.057676	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+2H"	84.067652
"1590685"	359.016328	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K+HCOOH"	84.968628
"1418530"	389.047838	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+CF3COOH"	115.000138
"1149913"	199.570951	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3ACN+2H"	125.094202
"1698376"	406.074385	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+CF3COOH"	132.026685
"1637307"	411.02978	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+CF3COOH"	136.98208
"1575147"	427.00372	"C10053"	"Bellidifolin;3-Methoxy-158-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K+CF3COOH"	152.95602
"802598"	296.1049	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M"	0
"979050"	277.08651	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-H2O-H"	-19.01839
"65102"	196.395990666667	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M-3H"	-3.021828
"509041"	295.097624	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M-3H"	-3.021828
"883560"	97.6943573333333	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-3H"	-3.021828
"4325"	295.097624	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M-2H"	-2.014552
"447167"	443.150074	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M-2H"	-2.014552
"824970"	147.045174	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-2H"	-2.014552
"87148"	591.202524	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M-H"	-1.007276
"525615"	887.307424	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M-H"	-1.007276
"904512"	295.097624	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-H"	-1.007276
"53420"	608.229071	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M-2H+NH4"	16.019271
"494077"	904.333971	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M-2H+NH4"	16.019271
"870784"	312.124171	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-2H+NH4"	16.019271
"38685"	613.184466	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M-2H+Na"	20.974666
"477156"	909.289366	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M-2H+Na"	20.974666
"849119"	317.079566	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-2H+Na"	20.974666
"1619751"	317.079566	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Na-2H"	20.974666
"95912"	313.085963	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M-H+Cl"	33.962126
"534419"	461.138413	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M-H+Cl"	33.962126
"938471"	165.033513	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-H+Cl"	33.962126
"280678"	627.179202	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+Cl"	34.969402
"671642"	923.284102	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+Cl"	34.969402
"1282952"	331.074302	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Cl"	34.969402
"21134"	629.158406	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M-2H+K"	36.948606
"460692"	925.263306	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M-2H+K"	36.948606
"839587"	333.053506	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-2H+K"	36.948606
"1563075"	333.053506	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+K-2H"	36.948606
"947677"	341.103094	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-H+HCOOH"	44.998194
"365891"	637.208001	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+HCOOH-H"	44.998201
"349411"	651.223651	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+Hac-H"	59.013851
"1494232"	355.118751	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Hac-H"	59.013851
"960681"	363.085051	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-H+NaCOOH"	66.980151
"111045"	331.074302	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+2Cl"	69.938804
"555711"	479.126752	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+2Cl"	69.938804
"1032167"	183.021852	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2Cl"	69.938804
"1254299"	375.023785	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Br"	78.918885
"1314194"	377.079772	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Cl+HCOOH"	80.974872
"1325130"	399.061729	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Cl+NaCOOH"	102.956829
"921656"	409.090486	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M-H+CF3COOH"	112.985586
"1295085"	445.067164	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Cl+CF3COOH"	148.962264
"1375433"	261.092224	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H-2H2O"	-35.012676
"1386371"	279.1022	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H-H2O"	-17.0027
"292617"	593.217076	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+H"	1.007276
"682852"	889.321976	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+H"	1.007276
"1359201"	297.112176	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H"	1.007276
"139741"	297.112176	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+2H"	2.014552
"579182"	445.164626	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+2H"	2.014552
"1052361"	149.059726	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2H"	2.014552
"219042"	198.410542666667	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+3H"	3.021828
"659337"	297.112176	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+3H"	3.021828
"1176852"	99.7089093333333	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+3H"	3.021828
"438666"	610.243623	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+NH4"	18.033823
"796867"	906.348523	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+NH4"	18.033823
"1686633"	314.138723	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+NH4"	18.033823
"339287"	305.6254495	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+H+NH4"	19.041099
"729521"	453.6778995	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+H+NH4"	19.041099
"1484435"	157.5729995	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H+NH4"	19.041099
"395096"	615.199018	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+Na"	22.989218
"754998"	911.303918	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+Na"	22.989218
"1603262"	319.094118	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Na"	22.989218
"314962"	308.103147	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+H+Na"	23.996494
"708109"	456.155597	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+H+Na"	23.996494
"1463384"	160.050697	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H+Na"	23.996494
"1054807"	107.036223333333	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2H+Na"	25.00377
"1259405"	329.138386	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+CH3OH+H"	33.033486
"377414"	631.172958	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+K"	38.963158
"738545"	927.277858	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+K"	38.963158
"1551614"	335.068058	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+K"	38.963158
"304418"	316.090117	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+H+K"	39.970434
"696838"	464.142567	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+H+K"	39.970434
"1461149"	168.037667	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H+K"	39.970434
"251137"	634.243626	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+ACN+H"	42.033826
"1224371"	338.138726	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+ACN+H"	42.033826
"1208618"	169.573001	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+ACN+2H"	43.041102
"202826"	637.18096	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+2Na-H"	44.97116
"638858"	933.28586	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+2Na-H"	44.97116
"1142724"	341.07606	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2Na-H"	44.97116
"179452"	319.094118	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+2Na"	45.978436
"622293"	467.146568	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+2Na"	45.978436
"1121790"	171.041668	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2Na"	45.978436
"1409325"	114.363537333333	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H+2Na"	46.985712
"1440347"	343.117646	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H+HCOOH"	47.012746
"232958"	324.12714	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+3H2O+2H"	56.04448
"1518103"	357.16969	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+IsoProp+H"	61.06479
"414510"	327.081088	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+Na+K"	61.952376
"783169"	475.133538	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+Na+K"	61.952376
"1674029"	179.028638	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Na+K"	61.952376
"257268"	656.225568	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+ACN+Na"	64.015768
"1231067"	360.120668	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+ACN+Na"	64.015768
"1723229"	360.144193	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+NH4+HCOOH"	64.039293
"1190772"	121.690851333333	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+3Na"	68.967654
"1659574"	365.099588	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Na+HCOOH"	68.994688
"165339"	669.12884	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+2K-H"	76.91904
"606723"	965.23374	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+2K-H"	76.91904
"1094879"	373.02394	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2K-H"	76.91904
"150605"	335.068058	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"2M+2K"	77.926316
"591991"	483.120508	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"3M+2K"	77.926316
"1072490"	187.015608	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2K"	77.926316
"1106795"	375.038492	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2K+H"	78.933592
"1340992"	375.126107	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+DMSO+H"	79.021207
"1008432"	379.165276	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2ACN+H"	83.060376
"1528752"	380.158908	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+IsoProp+Na+H"	84.054008
"994105"	190.086276	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+2ACN+2H"	84.067652
"1587878"	381.073528	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+K+HCOOH"	84.968628
"1416817"	411.105038	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+H+CF3COOH"	115.000138
"1150023"	210.599551	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+3ACN+2H"	125.094202
"1698486"	428.131585	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+NH4+CF3COOH"	132.026685
"1634864"	433.08698	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+Na+CF3COOH"	136.98208
"1575257"	449.06092	"C10054"	"Calophyllin B;6-(33-Dimethylallyl)-15-dihydroxyxanthone"	"C18H16O4"	"296.1049"	"M+K+CF3COOH"	152.95602
"802465"	294.0892	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M"	0
"979160"	275.07081	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-H2O-H"	-19.01839
"63147"	195.052190666667	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M-3H"	-3.021828
"503800"	293.081924	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M-3H"	-3.021828
"882576"	97.0224573333333	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-3H"	-3.021828
"2243"	293.081924	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M-2H"	-2.014552
"442899"	440.126524	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M-2H"	-2.014552
"825079"	146.037324	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-2H"	-2.014552
"82518"	587.171124	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M-H"	-1.007276
"525725"	881.260324	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M-H"	-1.007276
"904622"	293.081924	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-H"	-1.007276
"53530"	604.197671	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M-2H+NH4"	16.019271
"495280"	898.286871	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M-2H+NH4"	16.019271
"870894"	310.108471	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-2H+NH4"	16.019271
"38795"	609.153066	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M-2H+Na"	20.974666
"478359"	903.242266	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M-2H+Na"	20.974666
"849107"	315.063866	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-2H+Na"	20.974666
"1619497"	315.063866	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Na-2H"	20.974666
"96752"	311.070263	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M-H+Cl"	33.962126
"534975"	458.114863	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M-H+Cl"	33.962126
"935301"	164.025663	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-H+Cl"	33.962126
"279329"	623.147802	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+Cl"	34.969402
"671752"	917.237002	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+Cl"	34.969402
"1283062"	329.058602	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Cl"	34.969402
"21244"	625.127006	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M-2H+K"	36.948606
"458615"	919.216206	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M-2H+K"	36.948606
"835323"	331.037806	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-2H+K"	36.948606
"1559904"	331.037806	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+K-2H"	36.948606
"947787"	339.087394	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-H+HCOOH"	44.998194
"361989"	633.176601	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+HCOOH-H"	44.998201
"347697"	647.192251	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+Hac-H"	59.013851
"1494705"	353.103051	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Hac-H"	59.013851
"959330"	361.069351	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-H+NaCOOH"	66.980151
"112250"	329.058602	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+2Cl"	69.938804
"552541"	476.103202	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+2Cl"	69.938804
"1025714"	182.014002	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2Cl"	69.938804
"1252948"	373.008085	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Br"	78.918885
"1309930"	375.064072	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Cl+HCOOH"	80.974872
"1323053"	397.046029	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Cl+NaCOOH"	102.956829
"917391"	407.074786	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M-H+CF3COOH"	112.985586
"1295195"	443.051464	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Cl+CF3COOH"	148.962264
"1378823"	259.076524	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H-2H2O"	-35.012676
"1384658"	277.0865	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H-H2O"	-17.0027
"293820"	589.185676	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+H"	1.007276
"684055"	883.274876	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+H"	1.007276
"1358216"	295.096476	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H"	1.007276
"138757"	295.096476	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+2H"	2.014552
"579779"	442.141076	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+2H"	2.014552
"1051980"	148.051876	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2H"	2.014552
"218666"	197.066742666667	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+3H"	3.021828
"653487"	295.096476	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+3H"	3.021828
"1176718"	99.0370093333333	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+3H"	3.021828
"438046"	606.212223	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+NH4"	18.033823
"796976"	900.301423	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+NH4"	18.033823
"1686015"	312.123023	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+NH4"	18.033823
"338304"	303.6097495	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+H+NH4"	19.041099
"730725"	450.6543495	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+H+NH4"	19.041099
"1483453"	156.5651495	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H+NH4"	19.041099
"394843"	611.167618	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+Na"	22.989218
"755110"	905.256818	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+Na"	22.989218
"1603211"	317.078418	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Na"	22.989218
"315804"	306.087447	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+H+Na"	23.996494
"707734"	453.132047	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+H+Na"	23.996494
"1463859"	159.042847	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H+Na"	23.996494
"1054921"	106.364323333333	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2H+Na"	25.00377
"1259880"	327.122686	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+CH3OH+H"	33.033486
"377443"	627.141558	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+K"	38.963158
"738803"	921.230758	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+K"	38.963158
"1548444"	333.052358	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+K"	38.963158
"304528"	314.074417	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+H+K"	39.970434
"700227"	461.119017	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+H+K"	39.970434
"1460381"	167.029817	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H+K"	39.970434
"249947"	630.212226	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+ACN+H"	42.033826
"1224481"	336.123026	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+ACN+H"	42.033826
"1208605"	168.565151	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+ACN+2H"	43.041102
"203666"	633.14956	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+2Na-H"	44.97116
"639332"	927.23876	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+2Na-H"	44.97116
"1142834"	339.06036	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2Na-H"	44.97116
"178469"	317.078418	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+2Na"	45.978436
"620216"	464.123018	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+2Na"	45.978436
"1123721"	170.033818	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2Na"	45.978436
"1409435"	113.691637333333	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H+2Na"	46.985712
"1440457"	341.101946	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H+HCOOH"	47.012746
"232947"	322.11144	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+3H2O+2H"	56.04448
"1516026"	355.15399	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+IsoProp+H"	61.06479
"415713"	325.065388	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+Na+K"	61.952376
"782183"	472.109988	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+Na+K"	61.952376
"1675232"	178.020788	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Na+K"	61.952376
"257378"	652.194168	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+ACN+Na"	64.015768
"1232634"	358.104968	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+ACN+Na"	64.015768
"1722611"	358.128493	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+NH4+HCOOH"	64.039293
"1188695"	121.018951333333	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+3Na"	68.967654
"1660413"	363.083888	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Na+HCOOH"	68.994688
"165449"	665.09744	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+2K-H"	76.91904
"607197"	959.18664	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+2K-H"	76.91904
"1093896"	371.00824	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2K-H"	76.91904
"150351"	333.052358	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"2M+2K"	77.926316
"591737"	480.096958	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"3M+2K"	77.926316
"1069440"	186.007758	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2K"	77.926316
"1106905"	373.022792	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2K+H"	78.933592
"1338914"	373.110407	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+DMSO+H"	79.021207
"1008663"	377.149576	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2ACN+H"	83.060376
"1527769"	378.143208	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+IsoProp+Na+H"	84.054008
"994215"	189.078426	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+2ACN+2H"	84.067652
"1587624"	379.057828	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+K+HCOOH"	84.968628
"1417656"	409.089338	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+H+CF3COOH"	115.000138
"1149403"	209.591701	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+3ACN+2H"	125.094202
"1699689"	426.115885	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+NH4+CF3COOH"	132.026685
"1634731"	431.07128	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+Na+CF3COOH"	136.98208
"1575367"	447.04522	"C10055"	"Dehydrocycloguanandin"	"C18H14O4"	"294.0892"	"M+K+CF3COOH"	152.95602
"805734"	260.0321	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M"	0
"979270"	241.01371	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H2O-H"	-19.01839
"68602"	172.347457333333	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-3H"	-3.021828
"504882"	259.024824	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-3H"	-3.021828
"884873"	85.6700906666667	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-3H"	-3.021828
"4540"	259.024824	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H"	-2.014552
"444102"	389.040874	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H"	-2.014552
"821909"	129.008774	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H"	-2.014552
"80072"	519.056924	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-H"	-1.007276
"521460"	779.089024	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-H"	-1.007276
"901450"	259.024824	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H"	-1.007276
"53638"	536.083471	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+NH4"	16.019271
"491377"	796.115571	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+NH4"	16.019271
"868449"	276.051371	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+NH4"	16.019271
"38905"	541.038866	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+Na"	20.974666
"481751"	801.070966	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+Na"	20.974666
"852992"	281.006766	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+Na"	20.974666
"1619282"	281.006766	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na-2H"	20.974666
"95774"	277.013163	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-H+Cl"	33.962126
"545176"	407.029213	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-H+Cl"	33.962126
"935412"	146.997113	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+Cl"	33.962126
"280535"	555.033602	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Cl"	34.969402
"669675"	815.065702	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Cl"	34.969402
"1280984"	295.001502	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl"	34.969402
"22445"	557.012806	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+K"	36.948606
"462007"	817.044906	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+K"	36.948606
"839808"	296.980706	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+K"	36.948606
"1560015"	296.980706	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K-2H"	36.948606
"948992"	305.030294	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+HCOOH"	44.998194
"367206"	565.062401	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+HCOOH-H"	44.998201
"347077"	579.078051	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Hac-H"	59.013851
"1495180"	319.045951	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Hac-H"	59.013851
"961631"	327.012251	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+NaCOOH"	66.980151
"113817"	295.001502	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Cl"	69.938804
"552284"	425.017552	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Cl"	69.938804
"1029105"	164.985452	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Cl"	69.938804
"1250871"	338.950985	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Br"	78.918885
"1305301"	341.006972	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+HCOOH"	80.974872
"1327542"	362.988929	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+NaCOOH"	102.956829
"916776"	373.017686	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+CF3COOH"	112.985586
"1291297"	408.994364	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+CF3COOH"	148.962264
"1370553"	225.019424	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H-2H2O"	-35.012676
"1386954"	243.0294	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H-H2O"	-17.0027
"283723"	521.071476	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H"	1.007276
"677967"	781.103576	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H"	1.007276
"1356139"	261.039376	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H"	1.007276
"127567"	261.039376	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2H"	2.014552
"575148"	391.055426	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2H"	2.014552
"1048322"	131.023326	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2H"	2.014552
"215130"	174.362009333333	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+3H"	3.021828
"655783"	261.039376	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+3H"	3.021828
"1172088"	87.6846426666667	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3H"	3.021828
"433174"	538.098023	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+NH4"	18.033823
"791252"	798.130123	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+NH4"	18.033823
"1684301"	278.065923	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4"	18.033823
"335133"	269.5526495	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+NH4"	19.041099
"725365"	399.5686995	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+NH4"	19.041099
"1480276"	139.5365995	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+NH4"	19.041099
"393250"	543.053418	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Na"	22.989218
"755217"	803.085518	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Na"	22.989218
"1602788"	283.021318	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na"	22.989218
"314341"	272.030347	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+Na"	23.996494
"707359"	402.046397	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+Na"	23.996494
"1461661"	142.014297	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+Na"	23.996494
"1053325"	95.0119566666667	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2H+Na"	25.00377
"1257067"	293.065586	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+CH3OH+H"	33.033486
"377476"	559.027358	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+K"	38.963158
"740413"	819.059458	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+K"	38.963158
"1543083"	298.995258	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K"	38.963158
"304638"	280.017317	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+K"	39.970434
"698151"	410.033367	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+K"	39.970434
"1460734"	150.001267	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+K"	39.970434
"249327"	562.098026	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+ACN+H"	42.033826
"1225203"	302.065926	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+H"	42.033826
"1209448"	151.536601	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+2H"	43.041102
"204023"	565.03536	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Na-H"	44.97116
"639442"	825.06746	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Na-H"	44.97116
"1142945"	305.00326	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Na-H"	44.97116
"177850"	283.021318	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Na"	45.978436
"621420"	413.037368	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Na"	45.978436
"1121646"	153.005268	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Na"	45.978436
"1409545"	102.339270666667	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+2Na"	46.985712
"1439473"	307.044846	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+HCOOH"	47.012746
"231355"	288.05434	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+3H2O+2H"	56.04448
"1510669"	321.09689	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+IsoProp+H"	61.06479
"412543"	291.008288	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Na+K"	61.952376
"780107"	421.024338	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Na+K"	61.952376
"1674248"	160.992238	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+K"	61.952376
"258580"	584.079968	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+ACN+Na"	64.015768
"1233836"	324.047868	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+Na"	64.015768
"1721266"	324.071393	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4+HCOOH"	64.039293
"1188804"	109.666584666667	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3Na"	68.967654
"1659792"	329.026788	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+HCOOH"	68.994688
"168476"	596.98324	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2K-H"	76.91904
"605120"	857.01534	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2K-H"	76.91904
"1094006"	336.95114	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K-H"	76.91904
"150824"	298.995258	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2K"	77.926316
"589295"	429.011308	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2K"	77.926316
"1069792"	168.979208	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K"	77.926316
"1102641"	338.965692	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K+H"	78.933592
"1337321"	339.053307	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+DMSO+H"	79.021207
"1006829"	343.092476	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2ACN+H"	83.060376
"1531158"	344.086108	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+IsoProp+Na+H"	84.054008
"996511"	172.049876	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2ACN+2H"	84.067652
"1588827"	345.000728	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K+HCOOH"	84.968628
"1416673"	375.032238	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+CF3COOH"	115.000138
"1150242"	192.563151	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3ACN+2H"	125.094202
"1698706"	392.058785	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4+CF3COOH"	132.026685
"1634354"	397.01418	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+CF3COOH"	136.98208
"1575477"	412.98812	"C10056"	"Demethylbellidifolin;1358-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K+CF3COOH"	152.95602
"812406"	538.09	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M"	0
"983753"	519.07161	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-H2O-H"	-19.01839
"71998"	357.719390666667	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M-3H"	-3.021828
"512651"	537.082724	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M-3H"	-3.021828
"887172"	178.356057333333	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-3H"	-3.021828
"5744"	537.082724	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M-2H"	-2.014552
"446396"	806.127724	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M-2H"	-2.014552
"829674"	268.037724	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-2H"	-2.014552
"85292"	1075.172724	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M-H"	-1.007276
"529227"	1613.262724	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M-H"	-1.007276
"904842"	537.082724	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-H"	-1.007276
"51562"	1092.199271	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M-2H+NH4"	16.019271
"491122"	1630.289271	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M-2H+NH4"	16.019271
"871112"	554.109271	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-2H+NH4"	16.019271
"36099"	1097.154666	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M-2H+Na"	20.974666
"482952"	1635.244666	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M-2H+Na"	20.974666
"854196"	559.064666	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-2H+Na"	20.974666
"1624823"	559.064666	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Na-2H"	20.974666
"97341"	555.071063	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M-H+Cl"	33.962126
"545286"	824.116063	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M-H+Cl"	33.962126
"938439"	286.026063	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-H+Cl"	33.962126
"282348"	1111.149402	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+Cl"	34.969402
"671972"	1649.239402	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+Cl"	34.969402
"1282187"	573.059402	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Cl"	34.969402
"22555"	1113.128606	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M-2H+K"	36.948606
"464303"	1651.218606	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M-2H+K"	36.948606
"843199"	575.038606	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-2H+K"	36.948606
"1564500"	575.038606	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+K-2H"	36.948606
"949465"	583.088194	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-H+HCOOH"	44.998194
"368411"	1121.178201	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+HCOOH-H"	44.998201
"350833"	1135.193851	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+Hac-H"	59.013851
"1498936"	597.103851	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Hac-H"	59.013851
"963200"	605.070151	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-H+NaCOOH"	66.980151
"113198"	573.059402	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+2Cl"	69.938804
"554949"	842.104402	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+2Cl"	69.938804
"1032496"	304.014402	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2Cl"	69.938804
"1248794"	617.008885	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Br"	78.918885
"1311243"	619.064872	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Cl+HCOOH"	80.974872
"1329838"	641.046829	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Cl+NaCOOH"	102.956829
"914699"	651.075586	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M-H+CF3COOH"	112.985586
"1297603"	687.052264	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Cl+CF3COOH"	148.962264
"1373579"	503.077324	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H-2H2O"	-35.012676
"1389981"	521.0873	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H-H2O"	-17.0027
"290761"	1077.187276	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+H"	1.007276
"687554"	1615.277276	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+H"	1.007276
"1360624"	539.097276	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H"	1.007276
"132419"	539.097276	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+2H"	2.014552
"574164"	808.142276	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+2H"	2.014552
"1050984"	270.052276	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2H"	2.014552
"218156"	359.733942666667	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+3H"	3.021828
"655897"	539.097276	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+3H"	3.021828
"1172928"	180.370609333333	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+3H"	3.021828
"435108"	1094.213823	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+NH4"	18.033823
"797195"	1632.303823	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+NH4"	18.033823
"1693526"	556.123823	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+NH4"	18.033823
"337431"	547.6105495	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+H+NH4"	19.041099
"728029"	816.6555495	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+H+NH4"	19.041099
"1481484"	278.5655495	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H+NH4"	19.041099
"395065"	1099.169218	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+Na"	22.989218
"758974"	1637.259218	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+Na"	22.989218
"1603674"	561.079218	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Na"	22.989218
"314926"	550.088247	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+H+Na"	23.996494
"708444"	819.133247	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+H+Na"	23.996494
"1462138"	281.043247	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H+Na"	23.996494
"1054169"	187.697923333333	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2H+Na"	25.00377
"1258400"	571.123486	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+CH3OH+H"	33.033486
"378802"	1115.143158	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+K"	38.963158
"740403"	1653.233158	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+K"	38.963158
"1541728"	577.053158	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+K"	38.963158
"302188"	558.075217	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+H+K"	39.970434
"698262"	827.120217	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+H+K"	39.970434
"1460597"	289.030217	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H+K"	39.970434
"249437"	1118.213826	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+ACN+H"	42.033826
"1224336"	580.123826	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+ACN+H"	42.033826
"1209194"	290.565551	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+ACN+2H"	43.041102
"203159"	1121.15116	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+2Na-H"	44.97116
"643888"	1659.24116	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+2Na-H"	44.97116
"1145972"	583.06116	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2Na-H"	44.97116
"179418"	561.079218	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+2Na"	45.978436
"620802"	830.124218	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+2Na"	45.978436
"1122850"	292.034218	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2Na"	45.978436
"1406376"	195.025237333333	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H+2Na"	46.985712
"1438492"	585.102746	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H+HCOOH"	47.012746
"229280"	566.11224	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+3H2O+2H"	56.04448
"1518433"	599.15479	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+IsoProp+H"	61.06479
"415933"	569.066188	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+Na+K"	61.952376
"781310"	838.111188	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+Na+K"	61.952376
"1675452"	300.021188	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Na+K"	61.952376
"255410"	1140.195768	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+ACN+Na"	64.015768
"1231398"	602.105768	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+ACN+Na"	64.015768
"1722470"	602.129293	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+NH4+HCOOH"	64.039293
"1187821"	202.352551333333	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+3Na"	68.967654
"1662089"	607.084688	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Na+HCOOH"	68.994688
"164575"	1153.09904	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+2K-H"	76.91904
"603042"	1691.18904	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+2K-H"	76.91904
"1089744"	615.00904	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2K-H"	76.91904
"148750"	577.053158	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"2M+2K"	77.926316
"584055"	846.098158	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"3M+2K"	77.926316
"1070023"	308.008158	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2K"	77.926316
"1100797"	617.023592	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2K+H"	78.933592
"1336824"	617.111207	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+DMSO+H"	79.021207
"1009857"	621.150376	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2ACN+H"	83.060376
"1532362"	622.144008	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+IsoProp+Na+H"	84.054008
"995528"	311.078826	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+2ACN+2H"	84.067652
"1594406"	623.058628	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+K+HCOOH"	84.968628
"1421163"	653.090138	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+H+CF3COOH"	115.000138
"1149264"	331.592101	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+3ACN+2H"	125.094202
"1698814"	670.116685	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+NH4+CF3COOH"	132.026685
"1641030"	675.07208	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+Na+CF3COOH"	136.98208
"1575587"	691.04602	"C10057"	"Hinokiflavone"	"C30H18O10"	"538.09"	"M+K+CF3COOH"	152.95602
"809235"	300.0634	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M"	0
"978396"	281.04501	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"72108"	199.034990666667	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"509481"	299.056124	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"884002"	99.0138573333333	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"4761"	299.056124	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"445415"	449.087824	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"828691"	149.024424	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"82122"	599.119524	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"519247"	899.182924	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"899480"	299.056124	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"47659"	616.146071	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"488312"	916.209471	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"866481"	316.082671	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"31625"	621.101466	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"471704"	921.164866	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"848824"	321.038066	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1631488"	321.038066	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"98909"	317.044463	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"545398"	467.076163	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"935631"	167.012763	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"278568"	635.096202	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"667710"	935.159602	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1281204"	335.032802	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"22666"	637.075406	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"464414"	937.138806	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"838936"	337.012006	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1563517"	337.012006	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"947024"	345.061594	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"366332"	645.125001	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"347663"	659.140651	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1494308"	359.077251	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"962215"	367.043551	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"115498"	335.032802	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"557245"	485.064502	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1029326"	185.001102	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1251089"	378.982285	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1309166"	381.038272	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1331041"	403.020229	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"916996"	413.048986	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1294433"	449.025664	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1370773"	265.050724	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1387176"	283.0607	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"286498"	601.134076	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"681106"	901.197476	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1359641"	301.070676	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"135810"	301.070676	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"575369"	451.102376	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1047449"	151.038976	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"217538"	201.049542666667	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"654914"	301.070676	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1174133"	101.028409333333	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"433030"	618.160623	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"798398"	918.224023	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1692543"	318.097223	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"337541"	309.5839495	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"729962"	459.6156495	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1478317"	159.5522495	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"394933"	623.116018	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"757991"	923.179418	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1602891"	323.052618	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"315034"	312.061647	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"707413"	462.093347	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1461885"	162.029947	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1054159"	108.355723333333	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1258389"	333.096886	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"378543"	639.089958	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"739295"	939.153358	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1540254"	339.026558	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"301572"	320.048617	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"701656"	470.080317	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1456568"	170.016917	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"249543"	642.160626	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1222252"	342.097226	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1205043"	171.552251	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"202167"	645.09796	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"639662"	945.16136	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1139884"	345.03456	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"182079"	323.052618	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"622732"	473.084318	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1122592"	173.020918	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1406482"	115.683037333333	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1440787"	347.076146	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"228294"	328.08564	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1522553"	361.12819	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"420415"	331.039588	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"780326"	481.071288	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1675562"	181.007888	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"254428"	664.142568	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1230413"	364.079168	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1717840"	364.102693	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1186840"	123.010351333333	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1660014"	369.058088	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"165779"	677.04584	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"603153"	977.10924	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1090951"	376.98244	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"147767"	339.026558	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"589514"	489.058258	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1074025"	188.994858	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1102009"	378.996992	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1335960"	379.084607	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1007781"	383.123776	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1533565"	384.117408	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"995638"	192.065526	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1594516"	385.032028	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1419086"	415.063538	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1151559"	212.578801	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1698195"	432.090085	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1641140"	437.04548	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1575697"	453.01942	"C10058"	"Hispidulin;Dinatin;Scutellarein 6-methyl ether"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"812626"	310.0841	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M"	0
"979601"	291.06571	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-H2O-H"	-19.01839
"63467"	205.715457333333	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M-3H"	-3.021828
"509591"	309.076824	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M-3H"	-3.021828
"885204"	102.354090666667	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-3H"	-3.021828
"2685"	309.076824	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M-2H"	-2.014552
"442246"	464.118874	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M-2H"	-2.014552
"828801"	154.034774	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-2H"	-2.014552
"85513"	619.160924	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M-H"	-1.007276
"520698"	929.245024	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M-H"	-1.007276
"899590"	309.076824	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-H"	-1.007276
"49226"	636.187471	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M-2H+NH4"	16.019271
"489150"	946.271571	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M-2H+NH4"	16.019271
"865132"	326.103371	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-2H+NH4"	16.019271
"32788"	641.142866	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M-2H+Na"	20.974666
"471857"	951.226966	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M-2H+Na"	20.974666
"849418"	331.058766	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-2H+Na"	20.974666
"1630507"	331.058766	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Na-2H"	20.974666
"98291"	327.065163	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M-H+Cl"	33.962126
"549401"	482.107213	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M-H+Cl"	33.962126
"935744"	172.023113	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-H+Cl"	33.962126
"278678"	655.137602	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+Cl"	34.969402
"672561"	965.221702	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+Cl"	34.969402
"1283501"	345.053502	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Cl"	34.969402
"23870"	657.116806	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M-2H+K"	36.948606
"464525"	967.200906	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M-2H+K"	36.948606
"837953"	347.032706	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-2H+K"	36.948606
"1563629"	347.032706	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+K-2H"	36.948606
"946770"	355.082294	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-H+HCOOH"	44.998194
"365351"	665.166401	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+HCOOH-H"	44.998201
"349232"	679.182051	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+Hac-H"	59.013851
"1495876"	369.097951	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Hac-H"	59.013851
"961598"	377.064251	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-H+NaCOOH"	66.980151
"115609"	345.053502	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+2Cl"	69.938804
"557355"	500.095552	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+2Cl"	69.938804
"1023602"	190.011452	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2Cl"	69.938804
"1249013"	389.002985	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Br"	78.918885
"1304292"	391.058972	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Cl+HCOOH"	80.974872
"1331153"	413.040929	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Cl+NaCOOH"	102.956829
"920023"	423.069686	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M-H+CF3COOH"	112.985586
"1297824"	459.046364	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Cl+CF3COOH"	148.962264
"1380358"	275.071424	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H-2H2O"	-35.012676
"1386922"	293.0814	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H-H2O"	-17.0027
"290984"	621.175476	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+H"	1.007276
"678665"	931.259576	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+H"	1.007276
"1359751"	311.091376	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H"	1.007276
"135920"	311.091376	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+2H"	2.014552
"576575"	466.133426	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+2H"	2.014552
"1044280"	156.049326	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2H"	2.014552
"214370"	207.730009333333	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+3H"	3.021828
"656118"	311.091376	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+3H"	3.021828
"1175334"	104.368642666667	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+3H"	3.021828
"435328"	638.202023	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+NH4"	18.033823
"795228"	948.286123	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+NH4"	18.033823
"1692653"	328.117923	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+NH4"	18.033823
"340929"	319.6046495	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+H+NH4"	19.041099
"734444"	474.6466995	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+H+NH4"	19.041099
"1479520"	164.5625995	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H+NH4"	19.041099
"393095"	643.157418	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+Na"	22.989218
"755915"	953.241518	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+Na"	22.989218
"1603083"	333.073318	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Na"	22.989218
"314412"	322.082347	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+H+Na"	23.996494
"708050"	477.124397	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+H+Na"	23.996494
"1462480"	167.040297	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H+Na"	23.996494
"1055729"	111.695956666667	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2H+Na"	25.00377
"1258133"	343.117586	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+CH3OH+H"	33.033486
"377133"	659.131358	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+K"	38.963158
"739408"	969.215458	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+K"	38.963158
"1540852"	349.047258	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+K"	38.963158
"302773"	330.069317	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+H+K"	39.970434
"701766"	485.111367	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+H+K"	39.970434
"1455588"	175.027267	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H+K"	39.970434
"250753"	662.202026	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+ACN+H"	42.033826
"1223458"	352.117926	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+ACN+H"	42.033826
"1209775"	176.562601	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+ACN+2H"	43.041102
"204103"	665.13936	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+2Na-H"	44.97116
"637587"	975.22346	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+2Na-H"	44.97116
"1143275"	355.05526	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2Na-H"	44.97116
"182190"	333.073318	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+2Na"	45.978436
"625395"	488.115368	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+2Na"	45.978436
"1125257"	178.031268	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2Na"	45.978436
"1404407"	119.023270666667	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H+2Na"	46.985712
"1438710"	357.096846	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H+HCOOH"	47.012746
"228405"	338.10634	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+3H2O+2H"	56.04448
"1514280"	371.14889	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+IsoProp+H"	61.06479
"412874"	341.060288	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+Na+K"	61.952376
"778250"	496.102338	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+Na+K"	61.952376
"1675672"	186.018238	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Na+K"	61.952376
"261100"	684.183968	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+ACN+Na"	64.015768
"1231620"	374.099868	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+ACN+Na"	64.015768
"1718319"	374.123393	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+NH4+HCOOH"	64.039293
"1187315"	126.350584666667	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+3Na"	68.967654
"1660124"	379.078788	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Na+HCOOH"	68.994688
"163703"	697.08724	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+2K-H"	76.91904
"599986"	1007.17134	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+2K-H"	76.91904
"1084983"	387.00314	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2K-H"	76.91904
"142528"	349.047258	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"2M+2K"	77.926316
"588897"	504.089308	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"3M+2K"	77.926316
"1070854"	194.005208	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2K"	77.926316
"1100087"	389.017692	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2K+H"	78.933592
"1336312"	389.105307	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+DMSO+H"	79.021207
"1008013"	393.144476	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2ACN+H"	83.060376
"1535863"	394.138108	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+IsoProp+Na+H"	84.054008
"996841"	197.075876	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+2ACN+2H"	84.067652
"1594630"	395.052728	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+K+HCOOH"	84.968628
"1422476"	425.084238	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+H+CF3COOH"	115.000138
"1148755"	217.589151	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+3ACN+2H"	125.094202
"1698305"	442.110785	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+NH4+CF3COOH"	132.026685
"1647811"	447.06618	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+Na+CF3COOH"	136.98208
"1579087"	463.04012	"C10059"	"6-Deoxyjacareubin"	"C18H14O5"	"310.0841"	"M+K+CF3COOH"	152.95602
"808362"	288.0634	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M"	0
"982991"	269.04501	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"65763"	191.034990666667	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"509701"	287.056124	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"885314"	95.0138573333333	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"2795"	287.056124	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"442356"	431.087824	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"827818"	143.024424	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"85622"	575.119524	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"521900"	863.182924	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"897877"	287.056124	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"48119"	592.146071	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"489989"	880.209471	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"865969"	304.082671	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"33018"	597.101466	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"472576"	885.164866	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"850134"	309.038066	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1627335"	309.038066	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"98401"	305.044463	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"548778"	449.076163	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"930387"	161.012763	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"277695"	611.096202	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"666837"	899.159602	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1274862"	323.032802	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"20697"	613.075406	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"457342"	901.138806	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"835144"	325.012006	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1555916"	325.012006	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"942843"	333.061594	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"363268"	621.125001	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"345715"	635.140651	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1493226"	347.077251	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"959150"	355.043551	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"110324"	323.032802	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"550325"	467.064502	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1021886"	179.001102	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1242681"	366.982285	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1304398"	369.038272	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1320565"	391.020229	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"913935"	401.048986	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1294653"	437.025664	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1368319"	253.050724	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1385936"	271.0607	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"291091"	577.134076	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"678412"	865.197476	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1354397"	289.070676	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"132751"	289.070676	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"572312"	433.102376	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1042207"	145.038976	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"205367"	193.049542666667	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"651855"	289.070676	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1171071"	97.0284093333333	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"433251"	594.160623	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"793151"	882.224023	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1690574"	306.097223	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"342134"	297.5839495	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"733464"	441.6156495	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1478533"	153.5522495	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"393816"	599.116018	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"754931"	887.179418	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1605221"	311.052618	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"314769"	300.061647	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"707554"	444.093347	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1461535"	156.029947	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1055837"	104.355723333333	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1258611"	321.096886	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"378035"	615.089958	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"739760"	903.153358	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1540718"	327.026558	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"300331"	308.048617	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"701876"	452.080317	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1454605"	164.016917	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"245394"	618.160626	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1221378"	330.097226	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1209276"	165.552251	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"203002"	621.09796	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"637697"	909.16136	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1143385"	333.03456	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"177925"	311.052618	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"620766"	455.084318	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1120262"	167.020918	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1404517"	111.683037333333	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1432261"	335.076146	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"226328"	316.08564	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1511110"	349.12819	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"411891"	319.039588	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"778724"	463.071288	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1672502"	175.007888	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"261575"	640.142568	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1231731"	352.079168	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1718065"	352.102693	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1186695"	119.010351333333	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1656953"	357.058088	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"163814"	653.04584	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"598151"	941.10924	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1088983"	364.98244	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"144705"	327.026558	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"589371"	471.058258	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1073152"	182.994858	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1100116"	366.996992	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1335691"	367.084607	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1009095"	371.123776	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1532690"	372.117408	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"991723"	186.065526	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1595833"	373.032028	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1422586"	403.063538	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1150687"	206.578801	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1700238"	420.090085	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1647921"	425.04548	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1579197"	441.01942	"C10060"	"35-Dimethoxy-16-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"809565"	228.0423	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M"	0
"989648"	209.02391	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-H2O-H"	-19.01839
"68061"	151.020924	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M-3H"	-3.021828
"513091"	227.035024	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M-3H"	-3.021828
"886517"	75.006824	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-3H"	-3.021828
"7278"	227.035024	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M-2H"	-2.014552
"444653"	341.056174	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M-2H"	-2.014552
"827929"	113.013874	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-2H"	-2.014552
"86826"	455.077324	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M-H"	-1.007276
"524199"	683.119624	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M-H"	-1.007276
"903090"	227.035024	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-H"	-1.007276
"51634"	472.103871	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M-2H+NH4"	16.019271
"490829"	700.146171	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M-2H+NH4"	16.019271
"867174"	244.061571	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-2H+NH4"	16.019271
"34340"	477.059266	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M-2H+Na"	20.974666
"473900"	705.101566	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M-2H+Na"	20.974666
"850608"	249.016966	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-2H+Na"	20.974666
"1628538"	249.016966	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Na-2H"	20.974666
"101791"	245.023363	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M-H+Cl"	33.962126
"547916"	359.044513	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M-H+Cl"	33.962126
"930497"	131.002213	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-H+Cl"	33.962126
"277804"	491.054002	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+Cl"	34.969402
"668042"	719.096302	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+Cl"	34.969402
"1274972"	263.011702	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Cl"	34.969402
"20807"	493.033206	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M-2H+K"	36.948606
"459274"	721.075506	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M-2H+K"	36.948606
"838168"	264.990906	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-2H+K"	36.948606
"1561657"	264.990906	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+K-2H"	36.948606
"942904"	273.040494	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-H+HCOOH"	44.998194
"362286"	501.082801	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+HCOOH-H"	44.998201
"346045"	515.098451	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+Hac-H"	59.013851
"1493051"	287.056151	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Hac-H"	59.013851
"958608"	295.022451	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-H+NaCOOH"	66.980151
"110350"	263.011702	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+2Cl"	69.938804
"550393"	377.032852	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+2Cl"	69.938804
"1023453"	148.990552	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2Cl"	69.938804
"1243762"	306.961185	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Br"	78.918885
"1305845"	309.017172	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Cl+HCOOH"	80.974872
"1322622"	330.999129	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Cl+NaCOOH"	102.956829
"914045"	341.027886	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M-H+CF3COOH"	112.985586
"1289537"	377.004564	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Cl+CF3COOH"	148.962264
"1368182"	193.029624	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H-2H2O"	-35.012676
"1386046"	211.0396	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H-H2O"	-17.0027
"286826"	457.091876	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+H"	1.007276
"678154"	685.134176	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+H"	1.007276
"1353776"	229.049576	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H"	1.007276
"136139"	229.049576	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+2H"	2.014552
"573515"	343.070726	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+2H"	2.014552
"1042316"	115.028426	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2H"	2.014552
"212403"	153.035476	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+3H"	3.021828
"648682"	229.049576	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+3H"	3.021828
"1173368"	77.021376	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+3H"	3.021828
"435547"	474.118423	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+NH4"	18.033823
"793990"	702.160723	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+NH4"	18.033823
"1691413"	246.076123	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+NH4"	18.033823
"342609"	237.5628495	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+H+NH4"	19.041099
"735394"	351.5839995	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+H+NH4"	19.041099
"1479739"	123.5416995	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H+NH4"	19.041099
"396600"	479.073818	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+Na"	22.989218
"754921"	707.116118	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+Na"	22.989218
"1607518"	251.031518	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Na"	22.989218
"315731"	240.040547	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+H+Na"	23.996494
"707665"	354.061697	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+H+Na"	23.996494
"1463065"	126.019397	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H+Na"	23.996494
"1055948"	84.34869	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2H+Na"	25.00377
"1260907"	261.075786	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+CH3OH+H"	33.033486
"378389"	495.047758	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+K"	38.963158
"740844"	723.090058	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+K"	38.963158
"1540707"	267.005458	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+K"	38.963158
"304450"	248.027517	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+H+K"	39.970434
"699796"	362.048667	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+H+K"	39.970434
"1455807"	134.006367	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H+K"	39.970434
"246597"	498.118426	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+ACN+H"	42.033826
"1220395"	270.076126	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+ACN+H"	42.033826
"1206471"	135.541701	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+ACN+2H"	43.041102
"197154"	501.05576	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+2Na-H"	44.97116
"636711"	729.09806	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+2Na-H"	44.97116
"1140215"	273.01346	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2Na-H"	44.97116
"176941"	251.031518	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+2Na"	45.978436
"620875"	365.052668	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+2Na"	45.978436
"1119276"	137.010368	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2Na"	45.978436
"1403529"	91.676004	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H+2Na"	46.985712
"1433822"	275.055046	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H+HCOOH"	47.012746
"224251"	256.06454	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+3H2O+2H"	56.04448
"1513407"	289.10709	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+IsoProp+H"	61.06479
"412000"	259.018488	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+Na+K"	61.952376
"778106"	373.039638	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+Na+K"	61.952376
"1672612"	144.997338	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Na+K"	61.952376
"262049"	520.100368	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+ACN+Na"	64.015768
"1231112"	292.058068	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+ACN+Na"	64.015768
"1717446"	292.081593	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+NH4+HCOOH"	64.039293
"1184983"	99.003318	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+3Na"	68.967654
"1659250"	297.036988	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Na+HCOOH"	68.994688
"168304"	533.00364	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+2K-H"	76.91904
"607863"	761.04594	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+2K-H"	76.91904
"1089093"	304.96134	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2K-H"	76.91904
"148095"	267.005458	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"2M+2K"	77.926316
"589483"	381.026608	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"3M+2K"	77.926316
"1073262"	152.984308	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2K"	77.926316
"1100511"	306.975892	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2K+H"	78.933592
"1336173"	307.063507	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+DMSO+H"	79.021207
"1009205"	311.102676	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2ACN+H"	83.060376
"1532800"	312.096308	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+IsoProp+Na+H"	84.054008
"992684"	156.054976	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+2ACN+2H"	84.067652
"1594850"	313.010928	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+K+HCOOH"	84.968628
"1419416"	343.042438	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+H+CF3COOH"	115.000138
"1150797"	176.568251	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+3ACN+2H"	125.094202
"1697796"	360.068985	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+NH4+CF3COOH"	132.026685
"1649734"	365.02438	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+Na+CF3COOH"	136.98208
"1579307"	380.99832	"C10061"	"Euxanthone;17-Dihydroxyxanthone"	"C13H8O4"	"228.0423"	"M+K+CF3COOH"	152.95602
"801499"	628.3036	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M"	0
"986492"	609.28521	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-H2O-H"	-19.01839
"70359"	417.861790666667	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M-3H"	-3.021828
"516482"	627.296324	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M-3H"	-3.021828
"889908"	208.427257333333	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-3H"	-3.021828
"11764"	627.296324	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M-2H"	-2.014552
"445857"	941.448124	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M-2H"	-2.014552
"829128"	313.144524	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-2H"	-2.014552
"88029"	1255.599924	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M-H"	-1.007276
"525402"	1883.903524	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M-H"	-1.007276
"901014"	627.296324	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-H"	-1.007276
"49193"	1272.626471	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M-2H+NH4"	16.019271
"490575"	1900.930071	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M-2H+NH4"	16.019271
"868743"	644.322871	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-2H+NH4"	16.019271
"34821"	1277.581866	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M-2H+Na"	20.974666
"473402"	1905.885466	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M-2H+Na"	20.974666
"850356"	649.278266	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-2H+Na"	20.974666
"1628648"	649.278266	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Na-2H"	20.974666
"105181"	645.284663	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M-H+Cl"	33.962126
"548637"	959.436463	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M-H+Cl"	33.962126
"937167"	331.132863	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-H+Cl"	33.962126
"279011"	1291.576602	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+Cl"	34.969402
"668152"	1919.880202	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+Cl"	34.969402
"1277269"	663.273002	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Cl"	34.969402
"20917"	1293.555806	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M-2H+K"	36.948606
"462664"	1921.859406	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M-2H+K"	36.948606
"838278"	665.252206	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-2H+K"	36.948606
"1561767"	665.252206	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+K-2H"	36.948606
"944183"	673.301794	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-H+HCOOH"	44.998194
"362760"	1301.605401	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+HCOOH-H"	44.998201
"346026"	1315.621051	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+Hac-H"	59.013851
"1492812"	687.317451	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Hac-H"	59.013851
"958538"	695.283751	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-H+NaCOOH"	66.980151
"110111"	663.273002	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+2Cl"	69.938804
"549970"	977.424802	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+2Cl"	69.938804
"1022834"	349.121202	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2Cl"	69.938804
"1246059"	707.222485	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Br"	78.918885
"1305591"	709.278472	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Cl+HCOOH"	80.974872
"1323459"	731.260429	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Cl+NaCOOH"	102.956829
"912450"	741.289186	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M-H+CF3COOH"	112.985586
"1289034"	777.265864	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Cl+CF3COOH"	148.962264
"1370117"	593.290924	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H-2H2O"	-35.012676
"1386884"	611.3009	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H-H2O"	-17.0027
"285841"	1257.614476	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+H"	1.007276
"683732"	1885.918076	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+H"	1.007276
"1353157"	629.310876	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H"	1.007276
"132971"	629.310876	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+2H"	2.014552
"571438"	943.462676	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+2H"	2.014552
"1041332"	315.159076	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2H"	2.014552
"209231"	419.876342666667	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+3H"	3.021828
"646605"	629.310876	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+3H"	3.021828
"1168011"	210.441809333333	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+3H"	3.021828
"434564"	1274.641023	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+NH4"	18.033823
"791184"	1902.944623	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+NH4"	18.033823
"1686421"	646.337423	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+NH4"	18.033823
"340166"	637.8241495	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+H+NH4"	19.041099
"732587"	951.9759495	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+H+NH4"	19.041099
"1478753"	323.6723495	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H+NH4"	19.041099
"395618"	1279.596418	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+Na"	22.989218
"754231"	1907.900018	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+Na"	22.989218
"1604833"	651.292818	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Na"	22.989218
"314269"	640.301847	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+H+Na"	23.996494
"707366"	954.453647	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+H+Na"	23.996494
"1461586"	326.150047	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H+Na"	23.996494
"1054235"	217.769123333333	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2H+Na"	25.00377
"1259193"	661.337086	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+CH3OH+H"	33.033486
"377765"	1295.570358	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+K"	38.963158
"739493"	1923.873958	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+K"	38.963158
"1540815"	667.266758	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+K"	38.963158
"304560"	648.288817	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+H+K"	39.970434
"699901"	962.440617	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+H+K"	39.970434
"1452626"	334.137017	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H+K"	39.970434
"247796"	1298.641026	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+ACN+H"	42.033826
"1221598"	670.337426	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+ACN+H"	42.033826
"1207674"	335.672351	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+ACN+2H"	43.041102
"202364"	1301.57836	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+2Na-H"	44.97116
"636821"	1929.88196	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+2Na-H"	44.97116
"1138136"	673.27476	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2Na-H"	44.97116
"174863"	651.292818	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+2Na"	45.978436
"617340"	965.444618	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+2Na"	45.978436
"1117929"	337.141018	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2Na"	45.978436
"1401820"	225.096437333333	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H+2Na"	46.985712
"1432113"	675.316346	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H+HCOOH"	47.012746
"224361"	656.32584	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+3H2O+2H"	56.04448
"1512059"	689.36839	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+IsoProp+H"	61.06479
"412110"	659.279788	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+Na+K"	61.952376
"776394"	973.431588	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+Na+K"	61.952376
"1672722"	345.127988	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Na+K"	61.952376
"261430"	1320.622968	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+ACN+Na"	64.015768
"1231222"	692.319368	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+ACN+Na"	64.015768
"1718649"	692.342893	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+NH4+HCOOH"	64.039293
"1184000"	232.423751333333	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+3Na"	68.967654
"1658997"	697.298288	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Na+HCOOH"	68.994688
"169506"	1333.52624	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+2K-H"	76.91904
"609065"	1961.82984	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+2K-H"	76.91904
"1089203"	705.22264	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2K-H"	76.91904
"146019"	667.266758	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"2M+2K"	77.926316
"589958"	981.418558	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"3M+2K"	77.926316
"1076653"	353.114958	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2K"	77.926316
"1101232"	707.237192	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2K+H"	78.933592
"1336280"	707.324807	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+DMSO+H"	79.021207
"1009315"	711.363976	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2ACN+H"	83.060376
"1528537"	712.357608	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+IsoProp+Na+H"	84.054008
"992066"	356.185626	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+2ACN+2H"	84.067652
"1593867"	713.272228	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+K+HCOOH"	84.968628
"1419526"	743.303738	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+H+CF3COOH"	115.000138
"1150907"	376.698901	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+3ACN+2H"	125.094202
"1697108"	760.330285	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+NH4+CF3COOH"	132.026685
"1648142"	765.28568	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+Na+CF3COOH"	136.98208
"1579417"	781.25962	"C10062"	"Gambogic acid"	"C38H44O8"	"628.3036"	"M+K+CF3COOH"	152.95602
"809785"	396.1573	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M"	0
"983321"	377.13891	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-H2O-H"	-19.01839
"70469"	263.097590666667	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M-3H"	-3.021828
"516593"	395.150024	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M-3H"	-3.021828
"891113"	131.045157333333	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-3H"	-3.021828
"8594"	395.150024	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M-2H"	-2.014552
"449248"	593.228674	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M-2H"	-2.014552
"821582"	197.071374	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-2H"	-2.014552
"89232"	791.307324	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M-H"	-1.007276
"526605"	1187.464624	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M-H"	-1.007276
"897479"	395.150024	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-H"	-1.007276
"53312"	808.333871	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M-2H+NH4"	16.019271
"491050"	1204.491171	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M-2H+NH4"	16.019271
"868852"	412.176571	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-2H+NH4"	16.019271
"36753"	813.289266	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M-2H+Na"	20.974666
"472541"	1209.446566	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M-2H+Na"	20.974666
"849287"	417.131966	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-2H+Na"	20.974666
"1628758"	417.131966	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Na-2H"	20.974666
"100912"	413.138363	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M-H+Cl"	33.962126
"547772"	611.217013	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M-H+Cl"	33.962126
"939461"	215.059713	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-H+Cl"	33.962126
"279119"	827.284002	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+Cl"	34.969402
"669355"	1223.441302	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+Cl"	34.969402
"1277379"	431.126702	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Cl"	34.969402
"19933"	829.263206	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M-2H+K"	36.948606
"460587"	1225.420506	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M-2H+K"	36.948606
"838388"	433.105906	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-2H+K"	36.948606
"1561877"	433.105906	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+K-2H"	36.948606
"943114"	441.155494	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-H+HCOOH"	44.998194
"362018"	837.312801	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+HCOOH-H"	44.998201
"345782"	851.328451	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+Hac-H"	59.013851
"1493069"	455.171151	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Hac-H"	59.013851
"958746"	463.137451	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-H+NaCOOH"	66.980151
"110119"	431.126702	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+2Cl"	69.938804
"550331"	629.205352	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+2Cl"	69.938804
"1023674"	233.048052	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2Cl"	69.938804
"1242890"	475.076185	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Br"	78.918885
"1306429"	477.132172	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Cl+HCOOH"	80.974872
"1322475"	499.114129	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Cl+NaCOOH"	102.956829
"911499"	509.142886	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M-H+CF3COOH"	112.985586
"1288696"	545.119564	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Cl+CF3COOH"	148.962264
"1370591"	361.144624	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H-2H2O"	-35.012676
"1386264"	379.1546	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H-H2O"	-17.0027
"286680"	793.321876	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+H"	1.007276
"681654"	1189.479176	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+H"	1.007276
"1355090"	397.164576	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H"	1.007276
"134174"	397.164576	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+2H"	2.014552
"573735"	595.243226	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+2H"	2.014552
"1044722"	199.085926	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2H"	2.014552
"212621"	265.112142666667	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+3H"	3.021828
"645987"	397.164576	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+3H"	3.021828
"1167027"	133.059709333333	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+3H"	3.021828
"433580"	810.348423	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+NH4"	18.033823
"791294"	1206.505723	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+NH4"	18.033823
"1688718"	414.191123	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+NH4"	18.033823
"340275"	405.6778495	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+H+NH4"	19.041099
"730510"	603.7564995	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+H+NH4"	19.041099
"1479952"	207.5991995	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H+NH4"	19.041099
"397914"	815.303818	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+Na"	22.989218
"754258"	1211.461118	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+Na"	22.989218
"1603849"	419.146518	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Na"	22.989218
"314284"	408.155547	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+H+Na"	23.996494
"707183"	606.234197	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+H+Na"	23.996494
"1461411"	210.076897	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H+Na"	23.996494
"1053006"	140.387023333333	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2H+Na"	25.00377
"1258209"	429.190786	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+CH3OH+H"	33.033486
"377135"	831.277758	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+K"	38.963158
"738875"	1227.435058	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+K"	38.963158
"1539923"	435.120458	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+K"	38.963158
"304670"	416.142517	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+H+K"	39.970434
"698918"	614.221167	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+H+K"	39.970434
"1453829"	218.063867	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H+K"	39.970434
"248999"	834.348426	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+ACN+H"	42.033826
"1221708"	438.191126	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+ACN+H"	42.033826
"1207420"	219.599201	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+ACN+2H"	43.041102
"202597"	837.28576	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+2Na-H"	44.97116
"636931"	1233.44306	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+2Na-H"	44.97116
"1138247"	441.12846	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2Na-H"	44.97116
"176432"	419.146518	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+2Na"	45.978436
"617086"	617.225168	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+2Na"	45.978436
"1117309"	221.067868	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2Na"	45.978436
"1401563"	147.714337333333	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H+2Na"	46.985712
"1433679"	443.170046	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H+HCOOH"	47.012746
"224105"	424.17954	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+3H2O+2H"	56.04448
"1510347"	457.22209	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+IsoProp+H"	61.06479
"411491"	427.133488	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+Na+K"	61.952376
"771031"	625.212138	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+Na+K"	61.952376
"1667362"	229.054838	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Na+K"	61.952376
"259353"	856.330368	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+ACN+Na"	64.015768
"1228415"	460.173068	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+ACN+Na"	64.015768
"1715843"	460.196593	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+NH4+HCOOH"	64.039293
"1183746"	155.041651333333	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+3Na"	68.967654
"1660200"	465.151988	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Na+HCOOH"	68.994688
"168885"	869.23364	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+2K-H"	76.91904
"604799"	1265.39094	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+2K-H"	76.91904
"1087126"	473.07634	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2K-H"	76.91904
"142849"	435.120458	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"2M+2K"	77.926316
"588974"	633.199108	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"3M+2K"	77.926316
"1073482"	237.041808	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2K"	77.926316
"1100855"	475.090892	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2K+H"	78.933592
"1335648"	475.178507	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+DMSO+H"	79.021207
"1009425"	479.217676	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2ACN+H"	83.060376
"1529740"	480.211308	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+IsoProp+Na+H"	84.054008
"991083"	240.112476	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+2ACN+2H"	84.067652
"1593977"	481.125928	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+K+HCOOH"	84.968628
"1418543"	511.157438	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+H+CF3COOH"	115.000138
"1151017"	260.625751	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+3ACN+2H"	125.094202
"1697407"	528.183985	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+NH4+CF3COOH"	132.026685
"1648252"	533.13938	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+Na+CF3COOH"	136.98208
"1579527"	549.11332	"C10063"	"Gartanin;1358-Tetrahydroxy-24-diprenylxanthone"	"C23H24O6"	"396.1573"	"M+K+CF3COOH"	152.95602
"809895"	288.0634	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M"	0
"983431"	269.04501	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"70579"	191.034990666667	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"517068"	287.056124	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"891223"	95.0138573333333	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"8704"	287.056124	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"451545"	431.087824	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"822785"	143.024424	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"89342"	575.119524	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"522342"	863.182924	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"899412"	287.056124	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"55609"	592.146071	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"491160"	880.209471	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"870785"	304.082671	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"34674"	597.101466	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"474233"	885.164866	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"850208"	309.038066	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1631906"	309.038066	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"99930"	305.044463	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"548246"	449.076163	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"939571"	161.012763	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"280322"	611.096202	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"668372"	899.159602	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1276396"	323.032802	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"17857"	613.075406	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"460697"	901.138806	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"837404"	325.012006	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1560894"	325.012006	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"944035"	333.061594	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"361597"	621.125001	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"345787"	635.140651	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1493871"	347.077251	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"958901"	355.043551	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"110684"	323.032802	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"550606"	467.064502	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1023421"	179.001102	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1241703"	366.982285	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1304188"	369.038272	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1322221"	391.020229	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"911399"	401.048986	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1289252"	437.025664	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1368513"	253.050724	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1388562"	271.0607	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"288250"	577.134076	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"681764"	865.197476	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1357023"	289.070676	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"135377"	289.070676	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"573845"	433.102376	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1044832"	145.038976	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"212731"	193.049542666667	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"649011"	289.070676	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1167138"	97.0284093333333	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"433690"	594.160623	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"793591"	882.224023	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1688828"	306.097223	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"339293"	297.5839495	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"731714"	441.6156495	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1479699"	153.5522495	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"397660"	599.116018	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"754644"	887.179418	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1604566"	311.052618	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"314472"	300.061647	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"707501"	444.093347	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1462659"	156.029947	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1053725"	104.355723333333	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1258318"	321.096886	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"377493"	615.089958	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"738649"	903.153358	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1540309"	327.026558	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"300771"	308.048617	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"695748"	452.080317	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1449566"	164.016917	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"248016"	618.160626	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1222911"	330.097226	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1205343"	165.552251	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"201490"	621.09796	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"640321"	909.16136	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1138357"	333.03456	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"176299"	311.052618	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"615008"	455.084318	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1116567"	167.020918	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1400215"	111.683037333333	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1431724"	335.076146	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"224581"	316.08564	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1513739"	349.12819	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"411237"	319.039588	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"770777"	463.071288	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1666096"	175.007888	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"256183"	640.142568	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1228525"	352.079168	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1714494"	352.102693	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1184224"	119.010351333333	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1657395"	357.058088	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"166444"	653.04584	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"609285"	941.10924	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1093797"	364.98244	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"149521"	327.026558	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"590175"	471.058258	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1075779"	182.994858	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1100844"	366.996992	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1335692"	367.084607	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1006123"	371.123776	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1528755"	372.117408	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"993015"	186.065526	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1590802"	373.032028	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1421933"	403.063538	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1151127"	206.578801	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1697398"	420.090085	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1641800"	425.04548	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1576357"	441.01942	"C10064"	"Gentiacaulein;28-Dihydroxy-16-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"810005"	244.0372	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M"	0
"983541"	225.01881	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H2O-H"	-19.01839
"70689"	161.684190666667	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-3H"	-3.021828
"517178"	243.029924	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-3H"	-3.021828
"894613"	80.3384573333333	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-3H"	-3.021828
"12094"	243.029924	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H"	-2.014552
"454571"	365.048524	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H"	-2.014552
"828364"	121.011324	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H"	-2.014552
"90547"	487.067124	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-H"	-1.007276
"524639"	731.104324	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-H"	-1.007276
"905722"	243.029924	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H"	-1.007276
"57910"	504.093671	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+NH4"	16.019271
"494186"	748.130871	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+NH4"	16.019271
"874176"	260.056471	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+NH4"	16.019271
"39889"	509.049066	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+Na"	20.974666
"475075"	753.086266	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+Na"	20.974666
"849953"	265.011866	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+Na"	20.974666
"1631166"	265.011866	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na-2H"	20.974666
"102227"	261.018263	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-H+Cl"	33.962126
"546536"	383.036863	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-H+Cl"	33.962126
"939681"	138.999663	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+Cl"	33.962126
"278976"	523.043802	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Cl"	34.969402
"666295"	767.081002	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Cl"	34.969402
"1276506"	279.006602	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl"	34.969402
"19060"	525.023006	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+K"	36.948606
"460807"	769.060206	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+K"	36.948606
"837514"	280.985806	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+K"	36.948606
"1558817"	280.985806	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K-2H"	36.948606
"942913"	289.035394	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+HCOOH"	44.998194
"361556"	533.072601	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+HCOOH-H"	44.998201
"345992"	547.088251	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Hac-H"	59.013851
"1493979"	303.051051	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Hac-H"	59.013851
"959702"	311.017351	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+NaCOOH"	66.980151
"110192"	279.006602	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Cl"	69.938804
"550714"	401.025202	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Cl"	69.938804
"1022434"	156.988002	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Cl"	69.938804
"1243474"	322.956085	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Br"	78.918885
"1304465"	325.012072	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+HCOOH"	80.974872
"1321968"	346.994029	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+NaCOOH"	102.956829
"912294"	357.022786	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+CF3COOH"	112.985586
"1289360"	392.999464	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+CF3COOH"	148.962264
"1372271"	209.024524	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H-2H2O"	-35.012676
"1390861"	227.0345	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H-H2O"	-17.0027
"291641"	489.081676	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H"	1.007276
"687343"	733.118876	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H"	1.007276
"1361507"	245.044476	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H"	1.007276
"132208"	245.044476	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2H"	2.014552
"573955"	367.063076	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2H"	2.014552
"1046035"	123.025876	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2H"	2.014552
"216121"	163.698742666667	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+3H"	3.021828
"653495"	245.044476	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+3H"	3.021828
"1172713"	82.3530093333333	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3H"	3.021828
"435986"	506.108223	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+NH4"	18.033823
"795887"	750.145423	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+NH4"	18.033823
"1692218"	262.071023	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4"	18.033823
"340496"	253.5577495	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+NH4"	19.041099
"731824"	375.5763495	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+NH4"	19.041099
"1479081"	131.5391495	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+NH4"	19.041099
"398866"	511.063618	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Na"	22.989218
"756215"	755.100818	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Na"	22.989218
"1604312"	267.026418	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na"	22.989218
"314747"	256.035447	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+Na"	23.996494
"707732"	378.054047	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+Na"	23.996494
"1462161"	134.016847	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+Na"	23.996494
"1054322"	89.6803233333333	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2H+Na"	25.00377
"1257211"	277.070686	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+CH3OH+H"	33.033486
"378214"	527.037558	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+K"	38.963158
"739209"	771.074758	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+K"	38.963158
"1541147"	283.000358	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K"	38.963158
"299056"	264.022417	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+K"	39.970434
"695858"	386.041017	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+K"	39.970434
"1446396"	142.003817	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+K"	39.970434
"248126"	530.108226	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+ACN+H"	42.033826
"1219741"	286.071026	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+H"	42.033826
"1206545"	143.539151	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+2H"	43.041102
"199777"	533.04556	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Na-H"	44.97116
"639337"	777.08276	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Na-H"	44.97116
"1137375"	289.00836	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Na-H"	44.97116
"177383"	267.026418	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Na"	45.978436
"614144"	389.045018	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Na"	45.978436
"1117166"	145.007818	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Na"	45.978436
"1407253"	97.0076373333333	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+2Na"	46.985712
"1436089"	291.049946	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+HCOOH"	47.012746
"226879"	272.05944	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+3H2O+2H"	56.04448
"1517129"	305.10199	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+IsoProp+H"	61.06479
"411348"	275.013388	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Na+K"	61.952376
"772347"	397.031988	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Na+K"	61.952376
"1669766"	152.994788	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+K"	61.952376
"256293"	552.090168	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+ACN+Na"	64.015768
"1226812"	308.052968	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+Na"	64.015768
"1714604"	308.076493	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4+HCOOH"	64.039293
"1184333"	104.334951333333	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3Na"	68.967654
"1655319"	313.031888	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+HCOOH"	68.994688
"166554"	564.99344	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2K-H"	76.91904
"611461"	809.03064	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2K-H"	76.91904
"1095002"	320.95624	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K-H"	76.91904
"150724"	283.000358	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2K"	77.926316
"591377"	405.018958	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2K"	77.926316
"1079172"	160.981758	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K"	77.926316
"1111289"	322.970792	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K+H"	78.933592
"1335718"	323.058407	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+DMSO+H"	79.021207
"1005991"	327.097576	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2ACN+H"	83.060376
"1527772"	328.091208	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+IsoProp+Na+H"	84.054008
"994220"	164.052426	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2ACN+2H"	84.067652
"1588726"	329.005828	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K+HCOOH"	84.968628
"1416575"	359.037338	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+CF3COOH"	115.000138
"1148441"	184.565701	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3ACN+2H"	125.094202
"1697750"	376.063885	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4+CF3COOH"	132.026685
"1645190"	381.01928	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+CF3COOH"	136.98208
"1576467"	396.99322	"C10065"	"Gentisein;137-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K+CF3COOH"	152.95602
"810115"	258.0528	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M"	0
"983651"	239.03441	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"71892"	171.027924	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"518302"	257.045524	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"893630"	85.010324	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"12204"	257.045524	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"451764"	386.071924	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"827379"	128.019124	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"90657"	515.098324	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"526935"	773.151124	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"904738"	257.045524	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"58020"	532.124871	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"495392"	790.177671	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"872100"	274.072071	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"33675"	537.080266	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"472627"	795.133066	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"850671"	279.027466	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1631519"	279.027466	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"103430"	275.033863	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"547740"	404.060263	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"941614"	146.007463	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"277627"	551.075002	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"666404"	809.127802	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1277710"	293.022202	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"20263"	553.054206	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"464199"	811.107006	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"838720"	295.001406	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1558198"	295.001406	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"943528"	303.050994	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"361618"	561.103801	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"346351"	575.119451	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1493725"	317.066651	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"959684"	325.032951	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"112728"	293.022202	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"551922"	422.048602	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1024735"	163.995802	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1243949"	336.971685	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1304938"	339.027672	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1319967"	361.009629	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"911416"	371.038386	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1288748"	407.015064	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1369097"	223.040124	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1387323"	241.0501	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"288471"	517.112876	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"686359"	775.165676	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1360523"	259.060076	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"134505"	259.060076	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"574065"	388.086476	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1042136"	130.033676	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"216232"	173.042476	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"652512"	259.060076	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1169543"	87.024876	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"433909"	534.139423	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"797091"	792.192223	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1690141"	276.086623	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"341336"	267.5733495	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"728654"	396.5997495	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1479559"	138.5469495	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"395693"	539.094818	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"755227"	797.147618	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1604787"	281.042018	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"318103"	270.051047	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"707165"	399.077447	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1461660"	141.024647	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1055040"	94.35219	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1257319"	291.086286	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"377471"	555.068758	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"738683"	813.121558	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1540647"	297.015958	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"300262"	278.038017	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"695968"	407.064417	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1448692"	149.011617	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"250909"	558.139426	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1219851"	300.086626	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1208115"	150.546951	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"202682"	561.07676	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"638354"	819.12956	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1137485"	303.02396	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"174335"	281.042018	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"618146"	410.068418	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1119465"	152.015618	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1409550"	101.679504	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1437292"	305.065546	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"226988"	286.07504	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1515052"	319.11759	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"413645"	289.028988	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"772090"	418.055388	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1670969"	160.002588	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"252757"	580.121368	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1230200"	322.068568	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1714351"	322.092093	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1185538"	109.006818	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1656522"	327.047488	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"168852"	593.02464	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"611086"	851.07744	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1095113"	334.97184	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"151928"	297.015958	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"592581"	426.042358	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1079282"	167.989558	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1111400"	336.986392	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1335989"	337.074007	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1006342"	341.113176	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1526786"	342.106808	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"993235"	171.060226	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1591024"	343.021428	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1418872"	373.052938	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1149523"	191.573501	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1698712"	390.079485	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1642020"	395.03488	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1576576"	411.00882	"C10066"	"Gentisin;17-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"810225"	436.1006	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M"	0
"983761"	417.08221	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-H2O-H"	-19.01839
"69816"	289.726457333333	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M-3H"	-3.021828
"504271"	435.093324	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M-3H"	-3.021828
"891553"	144.359590666667	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-3H"	-3.021828
"5753"	435.093324	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M-2H"	-2.014552
"444219"	653.143624	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M-2H"	-2.014552
"822022"	217.043024	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-2H"	-2.014552
"91739"	871.193924	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M-H"	-1.007276
"525952"	1307.294524	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M-H"	-1.007276
"907034"	435.093324	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-H"	-1.007276
"55942"	888.220471	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M-2H+NH4"	16.019271
"494408"	1324.321071	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M-2H+NH4"	16.019271
"873304"	452.119871	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-2H+NH4"	16.019271
"40111"	893.175866	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M-2H+Na"	20.974666
"474928"	1329.276466	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M-2H+Na"	20.974666
"849932"	457.075266	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-2H+Na"	20.974666
"1631750"	457.075266	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Na-2H"	20.974666
"99167"	453.081663	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M-H+Cl"	33.962126
"548820"	671.131963	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M-H+Cl"	33.962126
"939901"	235.031363	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-H+Cl"	33.962126
"274092"	907.170602	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+Cl"	34.969402
"663962"	1343.271202	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+Cl"	34.969402
"1281100"	471.070002	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Cl"	34.969402
"19283"	909.149806	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M-2H+K"	36.948606
"459936"	1345.250406	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M-2H+K"	36.948606
"835915"	473.049206	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-2H+K"	36.948606
"1557580"	473.049206	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+K-2H"	36.948606
"945099"	481.098794	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-H+HCOOH"	44.998194
"364039"	917.199401	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+HCOOH-H"	44.998201
"346583"	931.215051	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+Hac-H"	59.013851
"1494199"	495.114451	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Hac-H"	59.013851
"961746"	503.080751	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-H+NaCOOH"	66.980151
"113569"	471.070002	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+2Cl"	69.938804
"553129"	689.120302	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+2Cl"	69.938804
"1025938"	253.019702	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2Cl"	69.938804
"1245517"	515.019485	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Br"	78.918885
"1305783"	517.075472	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Cl+HCOOH"	80.974872
"1320363"	539.057429	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Cl+NaCOOH"	102.956829
"912628"	549.086186	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M-H+CF3COOH"	112.985586
"1288977"	585.062864	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Cl+CF3COOH"	148.962264
"1367263"	401.087924	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H-2H2O"	-35.012676
"1386707"	419.0979	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H-H2O"	-17.0027
"290767"	873.208476	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+H"	1.007276
"682098"	1309.309076	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+H"	1.007276
"1354802"	437.107876	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H"	1.007276
"132429"	437.107876	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+2H"	2.014552
"575268"	655.158176	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+2H"	2.014552
"1042973"	219.057576	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2H"	2.014552
"210874"	291.741009333333	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+3H"	3.021828
"651527"	437.107876	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+3H"	3.021828
"1170747"	146.374142666667	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+3H"	3.021828
"430738"	890.235023	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+NH4"	18.033823
"800725"	1326.335623	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+NH4"	18.033823
"1692075"	454.134423	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+NH4"	18.033823
"341809"	445.6211495	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+H+NH4"	19.041099
"730951"	663.6714495	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+H+NH4"	19.041099
"1482586"	227.5708495	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H+NH4"	19.041099
"393611"	895.190418	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+Na"	22.989218
"755701"	1331.291018	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+Na"	22.989218
"1604895"	459.089818	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Na"	22.989218
"318213"	448.098847	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+H+Na"	23.996494
"708080"	666.149147	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+H+Na"	23.996494
"1461893"	230.048547	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H+Na"	23.996494
"1054177"	153.701456666667	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2H+Na"	25.00377
"1257672"	469.134086	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+CH3OH+H"	33.033486
"377260"	911.164358	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+K"	38.963158
"738705"	1347.264958	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+K"	38.963158
"1540392"	475.063758	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+K"	38.963158
"301101"	456.085817	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+H+K"	39.970434
"694254"	674.136117	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+H+K"	39.970434
"1448802"	238.035517	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H+K"	39.970434
"248345"	914.235026	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+ACN+H"	42.033826
"1219961"	478.134426	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+ACN+H"	42.033826
"1206766"	239.570851	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+ACN+2H"	43.041102
"198906"	917.17236	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+2Na-H"	44.97116
"637370"	1353.27296	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+2Na-H"	44.97116
"1136502"	481.07176	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2Na-H"	44.97116
"176511"	459.089818	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+2Na"	45.978436
"618256"	677.140118	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+2Na"	45.978436
"1120668"	241.039518	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2Na"	45.978436
"1406380"	161.028770666667	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H+2Na"	46.985712
"1439589"	483.113346	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H+HCOOH"	47.012746
"230379"	464.12284	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+3H2O+2H"	56.04448
"1512976"	497.16539	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+IsoProp+H"	61.06479
"412663"	467.076788	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+Na+K"	61.952376
"771108"	685.127088	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+Na+K"	61.952376
"1667071"	249.026488	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Na+K"	61.952376
"254689"	936.216968	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+ACN+Na"	64.015768
"1232497"	500.116368	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+ACN+Na"	64.015768
"1719200"	500.139893	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+NH4+HCOOH"	64.039293
"1188928"	168.356084666667	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+3Na"	68.967654
"1661006"	505.095288	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Na+HCOOH"	68.994688
"171029"	949.12024	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+2K-H"	76.91904
"609618"	1385.22084	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+2K-H"	76.91904
"1095224"	513.01964	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2K-H"	76.91904
"154225"	475.063758	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"2M+2K"	77.926316
"592691"	693.114058	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"3M+2K"	77.926316
"1082550"	257.013458	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2K"	77.926316
"1114063"	515.034192	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2K+H"	78.933592
"1338416"	515.121807	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+DMSO+H"	79.021207
"1006577"	519.160976	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2ACN+H"	83.060376
"1527990"	520.154608	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+IsoProp+Na+H"	84.054008
"991522"	260.084126	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+2ACN+2H"	84.067652
"1590039"	521.069228	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+K+HCOOH"	84.968628
"1417889"	551.100738	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+H+CF3COOH"	115.000138
"1148904"	280.597401	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+3ACN+2H"	125.094202
"1697849"	568.127285	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+NH4+CF3COOH"	132.026685
"1642130"	573.08268	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+Na+CF3COOH"	136.98208
"1573406"	589.05662	"C10067"	"Irisxanthone"	"C20H20O11"	"436.1006"	"M+K+CF3COOH"	152.95602
"809242"	302.0427	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M"	0
"983871"	283.02431	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"69926"	200.354524	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"504015"	301.035424	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"886194"	99.673624	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"4769"	301.035424	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"441776"	452.056774	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"822131"	150.014074	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"88688"	603.078124	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"530437"	905.120824	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"907144"	301.035424	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"50586"	620.104671	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"494519"	922.147371	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"870135"	318.061971	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"36577"	625.060066	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"472728"	927.102766	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"850653"	323.017366	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1623840"	323.017366	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"95382"	319.023763	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"544309"	470.045113	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"932356"	168.002413	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"271286"	639.054802	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"664072"	941.097502	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1277930"	337.012102	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"19393"	641.034006	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"457859"	943.076706	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"835050"	338.991306	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1559514"	338.991306	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"946300"	347.040894	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"362203"	649.083601	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"346573"	663.099251	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1495043"	361.056551	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"961124"	369.022851	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"114043"	337.012102	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"553238"	488.033452	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1024227"	185.990752	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1246360"	380.961585	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1306014"	383.017572	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1320959"	404.999529	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"912261"	415.028286	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1291522"	451.004964	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1368225"	267.030024	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1386087"	285.04	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"289055"	605.092676	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"680385"	907.135376	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1354912"	303.049976	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"127068"	303.049976	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"568821"	454.071326	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1040898"	152.028626	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"209892"	202.369076	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"650546"	303.049976	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1165751"	101.688176	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"433035"	622.119223	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"798404"	924.161923	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1692549"	320.076523	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"340826"	311.5632495	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"733247"	462.5845995	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1481604"	160.5418995	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"392880"	627.074618	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"754837"	929.117318	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1602804"	325.031918	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"314589"	314.040947	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"707379"	465.062297	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1461439"	163.019597	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1053069"	109.01549	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1258035"	335.076186	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"377373"	643.048558	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"740888"	945.091258	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1540139"	341.005858	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"301211"	322.027917	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"694363"	473.049267	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1447456"	171.006567	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"245176"	646.119226	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1217887"	344.076526	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1203954"	172.541901	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"199012"	649.05656	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"641853"	951.09926	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1137707"	347.01386	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"178809"	325.031918	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"619461"	476.053268	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1119686"	174.010568	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1401023"	116.342804	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1435326"	349.055446	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"226115"	330.06494	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1521834"	363.10749	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"413867"	333.018888	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"771947"	484.040238	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1673379"	181.997538	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"256623"	668.101168	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1229694"	366.058468	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1718215"	366.081993	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1187945"	123.670118	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1660025"	371.037388	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"171260"	681.00444	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"609728"	983.04714	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1099827"	378.96174	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"155428"	341.005858	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"594989"	492.027208	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1083392"	189.984508	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1113927"	380.976292	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1337797"	381.063907	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1006322"	385.103076	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1528100"	386.096708	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"991510"	193.055176	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1591246"	387.011328	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1416540"	417.042838	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1149014"	213.568451	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1697834"	434.069385	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1642240"	439.02478	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1573880"	454.99872	"C10068"	"6-Hydroxykaempferol"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"809352"	274.0477	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M"	0
"977418"	255.02931	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H2O-H"	-19.01839
"65661"	181.691190666667	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-3H"	-3.021828
"502838"	273.040424	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-3H"	-3.021828
"880713"	90.3419573333333	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-3H"	-3.021828
"1475"	273.040424	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H"	-2.014552
"441886"	410.064274	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H"	-2.014552
"822241"	136.016574	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H"	-2.014552
"88798"	547.088124	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-H"	-1.007276
"531640"	821.135824	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-H"	-1.007276
"909199"	273.040424	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H"	-1.007276
"58350"	564.114671	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+NH4"	16.019271
"494628"	838.162371	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+NH4"	16.019271
"870244"	290.066971	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+NH4"	16.019271
"35959"	569.070066	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+Na"	20.974666
"473328"	843.117766	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+Na"	20.974666
"849672"	295.022366	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+Na"	20.974666
"1618799"	295.022366	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na-2H"	20.974666
"94439"	291.028763	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-H+Cl"	33.962126
"546606"	428.052613	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-H+Cl"	33.962126
"936840"	154.004913	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+Cl"	33.962126
"275405"	583.064802	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Cl"	34.969402
"666003"	857.112502	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Cl"	34.969402
"1273296"	309.017102	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl"	34.969402
"16710"	585.044006	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+K"	36.948606
"456634"	859.091706	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+K"	36.948606
"834067"	310.996306	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+K"	36.948606
"1556826"	310.996306	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K-2H"	36.948606
"945682"	319.045894	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+HCOOH"	44.998194
"362071"	593.093601	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+HCOOH-H"	44.998201
"347049"	607.109251	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Hac-H"	59.013851
"1493695"	333.061551	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Hac-H"	59.013851
"960873"	341.027851	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+NaCOOH"	66.980151
"112696"	309.017102	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Cl"	69.938804
"552623"	446.040952	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Cl"	69.938804
"1022150"	171.993252	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Cl"	69.938804
"1242093"	352.966585	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Br"	78.918885
"1305640"	355.022572	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+HCOOH"	80.974872
"1319932"	377.004529	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+NaCOOH"	102.956829
"915653"	387.033286	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M-H+CF3COOH"	112.985586
"1289037"	423.009964	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+CF3COOH"	148.962264
"1374900"	239.035024	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H-2H2O"	-35.012676
"1388022"	257.045	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H-H2O"	-17.0027
"292084"	549.102676	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H"	1.007276
"684143"	823.150376	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H"	1.007276
"1357576"	275.054976	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H"	1.007276
"129370"	275.054976	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2H"	2.014552
"572210"	412.078826	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2H"	2.014552
"1040642"	138.031126	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2H"	2.014552
"208908"	183.705742666667	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H"	3.021828
"648468"	275.054976	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+3H"	3.021828
"1164768"	92.3565093333333	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3H"	3.021828
"433145"	566.129223	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+NH4"	18.033823
"796328"	840.176923	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+NH4"	18.033823
"1690472"	292.081523	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4"	18.033823
"336561"	283.5682495	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+NH4"	19.041099
"726797"	420.5920995	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+NH4"	19.041099
"1480620"	146.5443995	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+NH4"	19.041099
"392906"	571.084618	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na"	22.989218
"754581"	845.132318	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na"	22.989218
"1606334"	297.036918	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na"	22.989218
"317341"	286.045947	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+Na"	23.996494
"708670"	423.069797	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+Na"	23.996494
"1461841"	149.022097	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+Na"	23.996494
"1053548"	99.6838233333333	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2H+Na"	25.00377
"1258267"	307.081186	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+CH3OH+H"	33.033486
"379274"	587.058558	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+K"	38.963158
"741000"	861.106258	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+K"	38.963158
"1547794"	313.010858	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K"	38.963158
"306064"	294.032917	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+K"	39.970434
"693380"	431.056767	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+K"	39.970434
"1445988"	157.009067	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+K"	39.970434
"244193"	590.129226	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+H"	42.033826
"1223464"	316.081526	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+H"	42.033826
"1205158"	158.544401	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+2H"	43.041102
"203132"	593.06656	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na-H"	44.97116
"641603"	867.11426	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na-H"	44.97116
"1141096"	319.01886	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na-H"	44.97116
"185847"	297.036918	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na"	45.978436
"621760"	434.060768	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na"	45.978436
"1120892"	160.013068	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na"	45.978436
"1404415"	107.011137333333	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+2Na"	46.985712
"1438719"	321.060446	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+HCOOH"	47.012746
"225133"	302.06994	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H2O+2H"	56.04448
"1518669"	335.11249	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+H"	61.06479
"411792"	305.023888	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na+K"	61.952376
"772423"	442.047738	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na+K"	61.952376
"1673490"	168.000038	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+K"	61.952376
"258921"	612.111168	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+Na"	64.015768
"1229806"	338.063468	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+Na"	64.015768
"1719785"	338.086993	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+HCOOH"	64.039293
"1188056"	114.338451333333	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3Na"	68.967654
"1662322"	343.042388	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+HCOOH"	68.994688
"172221"	625.01444	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K-H"	76.91904
"610931"	899.06214	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K-H"	76.91904
"1099455"	350.96674	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K-H"	76.91904
"156390"	313.010858	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K"	77.926316
"594738"	450.034708	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K"	77.926316
"1083627"	175.987008	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K"	77.926316
"1113551"	352.981292	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2K+H"	78.933592
"1336810"	353.068907	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+DMSO+H"	79.021207
"1007893"	357.108076	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+H"	83.060376
"1528210"	358.101708	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+Na+H"	84.054008
"991742"	179.057676	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+2H"	84.067652
"1588556"	359.016328	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K+HCOOH"	84.968628
"1415554"	389.047838	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+H+CF3COOH"	115.000138
"1148758"	199.570951	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+3ACN+2H"	125.094202
"1697946"	406.074385	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+CF3COOH"	132.026685
"1635789"	411.02978	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+CF3COOH"	136.98208
"1573626"	427.00372	"C10069"	"Isoathyriol;6-Methoxy-137-trihydroxyxanthone"	"C14H10O6"	"274.0477"	"M+K+CF3COOH"	152.95602
"805087"	258.0528	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M"	0
"975341"	239.03441	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"63941"	171.027924	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"502982"	257.045524	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"880121"	85.010324	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"978"	257.045524	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"440903"	386.071924	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"819799"	128.019124	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"88908"	515.098324	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"531508"	773.151124	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"908336"	257.045524	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"58459"	532.124871	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"499112"	790.177671	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"873634"	274.072071	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"34974"	537.080266	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"474166"	795.133066	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"850145"	279.027466	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1620047"	279.027466	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"95118"	275.033863	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"544529"	404.060263	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"935858"	146.007463	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"271504"	551.075002	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"665747"	809.127802	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1272918"	293.022202	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"22168"	553.054206	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"455925"	811.107006	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"833815"	295.001406	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1557183"	295.001406	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"944701"	303.050994	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"364008"	561.103801	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"346673"	575.119451	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1493442"	317.066651	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"960983"	325.032951	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"112442"	293.022202	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"553097"	422.048602	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1024085"	163.995802	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1241716"	336.971685	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1309762"	339.027672	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1325801"	361.009629	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"916859"	371.038386	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1293202"	407.015064	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1377198"	223.040124	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1391414"	241.0501	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"290010"	517.112876	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"684618"	775.165676	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1354405"	259.060076	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"129481"	259.060076	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"572321"	388.086476	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1042213"	130.033676	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"210113"	173.042476	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"650767"	259.060076	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1167797"	87.024876	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"432162"	534.139423	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"799719"	792.192223	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1688396"	276.086623	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"337767"	267.5733495	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"726907"	396.5997495	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1480732"	138.5469495	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"394062"	539.094818	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"754940"	797.147618	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1607418"	281.042018	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"320733"	270.051047	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"708780"	399.077447	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1462601"	141.024647	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1053658"	94.35219	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1258622"	291.086286	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"379019"	555.068758	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"743664"	813.121558	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1545717"	297.015958	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"302894"	278.038017	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"693490"	407.064417	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1447312"	149.011617	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"239926"	558.139426	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1215917"	300.086626	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1201988"	150.546951	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"193765"	561.07676	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"640618"	819.12956	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1141206"	303.02396	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"184134"	281.042018	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"616401"	410.068418	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1121731"	152.015618	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1407076"	101.679504	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1438829"	305.065546	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"230711"	286.07504	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1514402"	319.11759	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"410809"	289.028988	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"771440"	418.055388	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1671413"	160.002588	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"256115"	580.121368	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1229187"	322.068568	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1718436"	322.092093	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1188166"	109.006818	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1662432"	327.047488	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"169293"	593.02464	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"609948"	851.07744	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1095555"	334.97184	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"152369"	297.015958	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"595941"	426.042358	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1082885"	167.989558	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1113541"	336.986392	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1337651"	337.074007	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1007152"	341.113176	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1525277"	342.106808	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"990754"	171.060226	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1589273"	343.021428	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1417486"	373.052938	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1149597"	191.573501	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1699149"	390.079485	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1636992"	395.03488	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1573736"	411.00882	"C10070"	"Isogentisin;13-Dihydroxy--7-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"804104"	410.1729	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M"	0
"975572"	391.15451	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-H2O-H"	-19.01839
"64175"	272.441324	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M-3H"	-3.021828
"504341"	409.165624	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M-3H"	-3.021828
"880809"	135.717024	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-3H"	-3.021828
"844"	409.165624	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M-2H"	-2.014552
"441737"	614.252074	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M-2H"	-2.014552
"820637"	204.079174	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-2H"	-2.014552
"90111"	819.338524	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M-H"	-1.007276
"533198"	1229.511424	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M-H"	-1.007276
"908567"	409.165624	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-H"	-1.007276
"58570"	836.365071	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M-2H+NH4"	16.019271
"500560"	1246.537971	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M-2H+NH4"	16.019271
"875932"	426.192171	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-2H+NH4"	16.019271
"43832"	841.320466	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M-2H+Na"	20.974666
"477923"	1251.493366	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M-2H+Na"	20.974666
"852078"	431.147566	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-2H+Na"	20.974666
"1623076"	431.147566	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Na-2H"	20.974666
"94984"	427.153963	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M-H+Cl"	33.962126
"545734"	632.240413	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M-H+Cl"	33.962126
"938520"	222.067513	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-H+Cl"	33.962126
"272706"	855.315202	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+Cl"	34.969402
"665128"	1265.488102	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+Cl"	34.969402
"1272795"	445.142302	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Cl"	34.969402
"20090"	857.294406	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M-2H+K"	36.948606
"456973"	1267.467306	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M-2H+K"	36.948606
"833925"	447.121506	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-2H+K"	36.948606
"1557293"	447.121506	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+K-2H"	36.948606
"943270"	455.171094	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-H+HCOOH"	44.998194
"362660"	865.344001	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+HCOOH-H"	44.998201
"345733"	879.359651	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+Hac-H"	59.013851
"1493552"	469.186751	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Hac-H"	59.013851
"959757"	477.153051	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-H+NaCOOH"	66.980151
"111458"	445.142302	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+2Cl"	69.938804
"551019"	650.228752	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+2Cl"	69.938804
"1024923"	240.055852	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2Cl"	69.938804
"1241705"	489.091785	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Br"	78.918885
"1304845"	491.147772	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Cl+HCOOH"	80.974872
"1320030"	513.129729	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Cl+NaCOOH"	102.956829
"913443"	523.158486	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M-H+CF3COOH"	112.985586
"1290881"	559.135164	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Cl+CF3COOH"	148.962264
"1375120"	375.160224	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H-2H2O"	-35.012676
"1386055"	393.1702	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H-H2O"	-17.0027
"289024"	821.353076	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+H"	1.007276
"681446"	1231.525976	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+H"	1.007276
"1353785"	411.180176	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H"	1.007276
"127768"	411.180176	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+2H"	2.014552
"569150"	616.266626	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+2H"	2.014552
"1038434"	206.093726	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2H"	2.014552
"208036"	274.455876	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+3H"	3.021828
"650877"	411.180176	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+3H"	3.021828
"1165722"	137.731576	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+3H"	3.021828
"433367"	838.379623	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+NH4"	18.033823
"800926"	1248.552523	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+NH4"	18.033823
"1693973"	428.206723	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+NH4"	18.033823
"338970"	419.6934495	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+H+NH4"	19.041099
"728110"	624.7798995	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+H+NH4"	19.041099
"1484122"	214.6069995	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H+NH4"	19.041099
"395146"	843.335018	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+Na"	22.989218
"759425"	1253.507918	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+Na"	22.989218
"1608621"	433.162118	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Na"	22.989218
"317567"	422.171147	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+H+Na"	23.996494
"712171"	627.257597	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+H+Na"	23.996494
"1465991"	217.084697	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H+Na"	23.996494
"1053767"	145.05889	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2H+Na"	25.00377
"1258244"	443.206386	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+CH3OH+H"	33.033486
"380951"	859.308958	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+K"	38.963158
"747055"	1269.481858	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+K"	38.963158
"1545827"	449.136058	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+K"	38.963158
"303730"	430.158117	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+H+K"	39.970434
"694331"	635.244567	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+H+K"	39.970434
"1448150"	225.071667	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H+K"	39.970434
"238214"	862.379626	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+ACN+H"	42.033826
"1212746"	452.206726	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+ACN+H"	42.033826
"1197723"	226.607001	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+ACN+2H"	43.041102
"192053"	865.31696	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+2Na-H"	44.97116
"635623"	1275.48986	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+2Na-H"	44.97116
"1139129"	455.14406	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2Na-H"	44.97116
"183514"	433.162118	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+2Na"	45.978436
"615420"	638.248568	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+2Na"	45.978436
"1121113"	228.075668	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2Na"	45.978436
"1402450"	152.386204	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H+2Na"	46.985712
"1433836"	457.185646	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H+HCOOH"	47.012746
"221829"	438.19514	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+3H2O+2H"	56.04448
"1514514"	471.23769	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+IsoProp+H"	61.06479
"417483"	441.149088	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+Na+K"	61.952376
"771307"	646.235538	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+Na+K"	61.952376
"1667514"	236.062638	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Na+K"	61.952376
"253672"	884.361568	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+ACN+Na"	64.015768
"1230753"	474.188668	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+ACN+Na"	64.015768
"1716725"	474.212193	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+NH4+HCOOH"	64.039293
"1189370"	159.713518	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+3Na"	68.967654
"1659261"	479.167588	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Na+HCOOH"	68.994688
"167217"	897.26484	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+2K-H"	76.91904
"606778"	1307.43774	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+2K-H"	76.91904
"1095664"	487.09194	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2K-H"	76.91904
"154547"	449.136058	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"2M+2K"	77.926316
"595080"	654.222508	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"3M+2K"	77.926316
"1082996"	244.049608	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2K"	77.926316
"1114380"	489.106492	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2K+H"	78.933592
"1338127"	489.194107	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+DMSO+H"	79.021207
"1007262"	493.233276	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2ACN+H"	83.060376
"1530619"	494.226908	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+IsoProp+Na+H"	84.054008
"993785"	247.120276	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+2ACN+2H"	84.067652
"1591571"	495.141528	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+K+HCOOH"	84.968628
"1417231"	525.173038	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+H+CF3COOH"	115.000138
"1148250"	267.633551	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+3ACN+2H"	125.094202
"1699260"	542.199585	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+NH4+CF3COOH"	132.026685
"1636009"	547.15498	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+Na+CF3COOH"	136.98208
"1577126"	563.12892	"C10071"	"1-Isomangostin"	"C24H26O6"	"410.1729"	"M+K+CF3COOH"	152.95602
"814055"	302.0427	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M"	0
"977747"	283.02431	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"63800"	200.354524	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"504453"	301.035424	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"880798"	99.673624	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"1923"	301.035424	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"441484"	452.056774	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"818193"	150.014074	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"91314"	603.078124	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"533998"	905.120824	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"910384"	301.035424	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"61601"	620.104671	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"499335"	922.147371	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"869483"	318.061971	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"46577"	625.060066	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"484596"	927.102766	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"859117"	323.017366	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1623186"	323.017366	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"99715"	319.023763	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"545844"	470.045113	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"939358"	168.002413	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"270629"	639.054802	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"665238"	941.097502	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1273388"	337.012102	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"19470"	641.034006	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"457936"	943.076706	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"834643"	338.991306	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1557403"	338.991306	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"945285"	347.040894	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"363500"	649.083601	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"346081"	663.099251	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1493415"	361.056551	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"962662"	369.022851	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"112662"	337.012102	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"551371"	488.033452	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1024667"	185.990752	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1242058"	380.961585	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1304996"	383.017572	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1322373"	404.999529	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"912702"	415.028286	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1289409"	451.004964	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1370855"	267.030024	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1384827"	285.04	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"286218"	605.092676	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"678274"	907.135376	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1352556"	303.049976	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"126903"	303.049976	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"566582"	454.071326	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1037935"	152.028626	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"207052"	202.369076	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"646613"	303.049976	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1168018"	101.688176	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"425823"	622.119223	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"795565"	924.161923	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1691896"	320.076523	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"339080"	311.5632495	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"727492"	462.5845995	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1479858"	160.5418995	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"393431"	627.074618	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"758442"	929.117318	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1610917"	325.031918	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"319863"	314.040947	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"712281"	465.062297	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1465008"	163.019597	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1054973"	109.01549	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1259934"	335.076186	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"380698"	643.048558	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"748260"	945.091258	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1548123"	341.005858	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"304205"	322.027917	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"696628"	473.049267	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1450451"	171.006567	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"239055"	646.119226	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1215042"	344.076526	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1201114"	172.541901	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"195078"	649.05656	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"636827"	951.09926	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1144713"	347.01386	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"179250"	325.031918	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"617717"	476.053268	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1119036"	174.010568	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1406934"	116.342804	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1441238"	349.055446	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"224371"	330.06494	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1509520"	363.10749	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"417958"	333.018888	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"771296"	484.040238	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1666898"	181.997538	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"256335"	668.101168	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1228677"	366.058468	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1719022"	366.081993	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1185106"	123.670118	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1658280"	371.037388	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"164048"	681.00444	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"604698"	983.04714	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1090304"	378.96174	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"150402"	341.005858	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"593246"	492.027208	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1079947"	189.984508	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1113880"	380.976292	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1338963"	381.063907	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1007373"	385.103076	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1529636"	386.096708	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"996085"	193.055176	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1589496"	387.011328	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1417346"	417.042838	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1149821"	213.568451	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1698642"	434.069385	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1642680"	439.02478	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1577237"	454.99872	"C10072"	"6-Hydroxyluteolin;56734-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"813072"	464.0955	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M"	0
"975671"	445.07711	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-H2O-H"	-19.01839
"63301"	308.389724	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M-3H"	-3.021828
"503835"	463.088224	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M-3H"	-3.021828
"880178"	153.691224	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-3H"	-3.021828
"940"	463.088224	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M-2H"	-2.014552
"440078"	695.135974	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M-2H"	-2.014552
"817368"	231.040474	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-2H"	-2.014552
"87049"	927.183724	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M-H"	-1.007276
"533050"	1391.279224	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M-H"	-1.007276
"908793"	463.088224	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-H"	-1.007276
"60981"	944.210271	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M-2H+NH4"	16.019271
"500538"	1408.305771	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M-2H+NH4"	16.019271
"877246"	480.114771	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-2H+NH4"	16.019271
"46604"	949.165666	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M-2H+Na"	20.974666
"481426"	1413.261166	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M-2H+Na"	20.974666
"855947"	485.070166	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-2H+Na"	20.974666
"1623296"	485.070166	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Na-2H"	20.974666
"103106"	481.076563	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M-H+Cl"	33.962126
"547777"	713.124313	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M-H+Cl"	33.962126
"939833"	249.028813	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-H+Cl"	33.962126
"273655"	963.160402	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+Cl"	34.969402
"665347"	1427.255902	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+Cl"	34.969402
"1281767"	499.064902	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Cl"	34.969402
"26508"	965.139606	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M-2H+K"	36.948606
"466068"	1429.235106	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M-2H+K"	36.948606
"840586"	501.044106	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-2H+K"	36.948606
"1564074"	501.044106	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+K-2H"	36.948606
"949774"	509.093694	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-H+HCOOH"	44.998194
"366892"	973.189201	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+HCOOH-H"	44.998201
"350045"	987.204851	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+Hac-H"	59.013851
"1499606"	523.109351	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Hac-H"	59.013851
"962408"	531.075651	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-H+NaCOOH"	66.980151
"114230"	499.064902	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+2Cl"	69.938804
"551968"	731.112652	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+2Cl"	69.938804
"1027695"	267.017152	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2Cl"	69.938804
"1243628"	543.014385	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Br"	78.918885
"1305714"	545.070372	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Cl+HCOOH"	80.974872
"1321390"	567.052329	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Cl+NaCOOH"	102.956829
"913907"	577.081086	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M-H+CF3COOH"	112.985586
"1292804"	613.057764	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Cl+CF3COOH"	148.962264
"1372424"	429.082824	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H-2H2O"	-35.012676
"1386275"	447.0928	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H-H2O"	-17.0027
"285964"	929.198276	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+H"	1.007276
"676274"	1393.293776	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+H"	1.007276
"1355099"	465.102776	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H"	1.007276
"128717"	465.102776	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+2H"	2.014552
"566454"	697.150526	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+2H"	2.014552
"1037436"	233.055026	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2H"	2.014552
"212629"	310.404276	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+3H"	3.021828
"647815"	465.102776	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+3H"	3.021828
"1170315"	155.705776	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+3H"	3.021828
"430308"	946.224823	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+NH4"	18.033823
"793489"	1410.320323	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+NH4"	18.033823
"1695166"	482.129323	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+NH4"	18.033823
"339191"	473.6160495	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+H+NH4"	19.041099
"726144"	705.6637995	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+H+NH4"	19.041099
"1479968"	241.5682995	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H+NH4"	19.041099
"396464"	951.180218	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+Na"	22.989218
"756366"	1415.275718	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+Na"	22.989218
"1611027"	487.084718	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Na"	22.989218
"324350"	476.093747	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+H+Na"	23.996494
"713485"	708.141497	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+H+Na"	23.996494
"1465118"	244.045997	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H+Na"	23.996494
"1057270"	163.03309	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2H+Na"	25.00377
"1260044"	497.128986	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+CH3OH+H"	33.033486
"382994"	967.154158	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+K"	38.963158
"749463"	1431.249658	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+K"	38.963158
"1547140"	503.058658	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+K"	38.963158
"304315"	484.080717	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+H+K"	39.970434
"698924"	716.128467	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+H+K"	39.970434
"1453844"	252.032967	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H+K"	39.970434
"238071"	970.224826	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+ACN+H"	42.033826
"1215153"	506.129326	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+ACN+H"	42.033826
"1202318"	253.568301	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+ACN+2H"	43.041102
"192272"	973.16216	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+2Na-H"	44.97116
"636937"	1437.25766	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+2Na-H"	44.97116
"1144819"	509.06666	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2Na-H"	44.97116
"179360"	487.084718	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+2Na"	45.978436
"615640"	719.132468	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+2Na"	45.978436
"1118173"	255.036968	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2Na"	45.978436
"1407044"	170.360404	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H+2Na"	46.985712
"1440254"	511.108246	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H+HCOOH"	47.012746
"223388"	492.11774	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+3H2O+2H"	56.04448
"1512546"	525.16029	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+IsoProp+H"	61.06479
"418796"	495.071688	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+Na+K"	61.952376
"773593"	727.119438	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+Na+K"	61.952376
"1670655"	263.023938	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Na+K"	61.952376
"254622"	992.206768	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+ACN+Na"	64.015768
"1228787"	528.111268	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+ACN+Na"	64.015768
"1719133"	528.134793	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+NH4+HCOOH"	64.039293
"1188134"	177.687718	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+3Na"	68.967654
"1659482"	533.090188	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Na+HCOOH"	68.994688
"163428"	1005.11004	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+2K-H"	76.91904
"602621"	1469.20554	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+2K-H"	76.91904
"1090415"	541.01454	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2K-H"	76.91904
"148326"	503.058658	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"2M+2K"	77.926316
"591166"	735.106408	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"3M+2K"	77.926316
"1078963"	271.010908	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2K"	77.926316
"1108888"	543.029092	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2K+H"	78.933592
"1338709"	543.116707	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+DMSO+H"	79.021207
"1008332"	547.155876	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2ACN+H"	83.060376
"1524267"	548.149508	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+IsoProp+Na+H"	84.054008
"998382"	274.081576	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+2ACN+2H"	84.067652
"1591793"	549.064128	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+K+HCOOH"	84.968628
"1416724"	579.095638	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+H+CF3COOH"	115.000138
"1149931"	294.594851	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+3ACN+2H"	125.094202
"1700209"	596.122185	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+NH4+CF3COOH"	132.026685
"1642790"	601.07758	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+Na+CF3COOH"	136.98208
"1577347"	617.05152	"C10073"	"Hyperin;Quercetin 3-galactoside"	"C21H20O12"	"464.0955"	"M+K+CF3COOH"	152.95602
"813182"	326.079	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M"	0
"974689"	307.06061	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-H2O-H"	-19.01839
"63052"	216.378724	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M-3H"	-3.021828
"503945"	325.071724	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M-3H"	-3.021828
"880245"	107.685724	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-3H"	-3.021828
"360"	325.071724	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M-2H"	-2.014552
"441095"	488.111224	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M-2H"	-2.014552
"817397"	162.032224	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-2H"	-2.014552
"80589"	651.150724	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M-H"	-1.007276
"520642"	977.229724	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M-H"	-1.007276
"896862"	325.071724	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-H"	-1.007276
"60360"	668.177271	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M-2H+NH4"	16.019271
"501375"	994.256271	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M-2H+NH4"	16.019271
"876260"	342.098271	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-2H+NH4"	16.019271
"40883"	673.132666	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M-2H+Na"	20.974666
"481537"	999.211666	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M-2H+Na"	20.974666
"858246"	347.053666	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-2H+Na"	20.974666
"1626686"	347.053666	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Na-2H"	20.974666
"103216"	343.060063	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M-H+Cl"	33.962126
"547157"	506.099563	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M-H+Cl"	33.962126
"938484"	180.020563	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-H+Cl"	33.962126
"270485"	687.127402	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+Cl"	34.969402
"664000"	1013.206402	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+Cl"	34.969402
"1285156"	361.048402	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Cl"	34.969402
"24432"	689.106606	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M-2H+K"	36.948606
"465087"	1015.185606	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M-2H+K"	36.948606
"838514"	363.027606	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-2H+K"	36.948606
"1563095"	363.027606	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+K-2H"	36.948606
"948791"	371.077194	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-H+HCOOH"	44.998194
"365912"	697.156201	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+HCOOH-H"	44.998201
"350887"	711.171851	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+Hac-H"	59.013851
"1496440"	385.092851	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Hac-H"	59.013851
"962883"	393.059151	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-H+NaCOOH"	66.980151
"112884"	361.048402	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+2Cl"	69.938804
"553175"	524.087902	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+2Cl"	69.938804
"1023797"	198.008902	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2Cl"	69.938804
"1245201"	404.997885	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Br"	78.918885
"1306554"	407.053872	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Cl+HCOOH"	80.974872
"1319959"	429.035829	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Cl+NaCOOH"	102.956829
"915114"	439.064586	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M-H+CF3COOH"	112.985586
"1296197"	475.041264	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Cl+CF3COOH"	148.962264
"1369620"	291.066324	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H-2H2O"	-35.012676
"1389669"	309.0763	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H-H2O"	-17.0027
"287170"	653.165276	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+H"	1.007276
"679591"	979.244276	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+H"	1.007276
"1353753"	327.086276	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H"	1.007276
"128828"	327.086276	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+2H"	2.014552
"568387"	490.125776	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+2H"	2.014552
"1037792"	164.046776	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2H"	2.014552
"205571"	218.393276	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+3H"	3.021828
"646834"	327.086276	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+3H"	3.021828
"1164229"	109.700276	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+3H"	3.021828
"432605"	670.191823	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+NH4"	18.033823
"796515"	996.270823	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+NH4"	18.033823
"1688836"	344.112823	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+NH4"	18.033823
"336019"	335.5995495	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+H+NH4"	19.041099
"727348"	498.6390495	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+H+NH4"	19.041099
"1479346"	172.5600495	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H+NH4"	19.041099
"393292"	675.147218	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+Na"	22.989218
"755383"	1001.226218	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+Na"	22.989218
"1612232"	349.068218	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Na"	22.989218
"325189"	338.077247	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+H+Na"	23.996494
"714689"	501.116747	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+H+Na"	23.996494
"1465229"	175.037747	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H+Na"	23.996494
"1058474"	117.02759	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2H+Na"	25.00377
"1258696"	359.112486	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+CH3OH+H"	33.033486
"379824"	691.121158	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+K"	38.963158
"747387"	1017.200158	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+K"	38.963158
"1550533"	365.042158	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+K"	38.963158
"305521"	346.064217	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+H+K"	39.970434
"696847"	509.103717	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+H+K"	39.970434
"1451768"	183.024717	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H+K"	39.970434
"239275"	694.191826	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+ACN+H"	42.033826
"1215264"	368.112826	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+ACN+H"	42.033826
"1205708"	184.560051	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+ACN+2H"	43.041102
"197485"	697.12916	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+2Na-H"	44.97116
"635953"	1023.20816	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+2Na-H"	44.97116
"1143470"	371.05016	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2Na-H"	44.97116
"182750"	349.068218	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+2Na"	45.978436
"617939"	512.107718	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+2Na"	45.978436
"1119257"	186.028718	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2Na"	45.978436
"1407154"	124.354904	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H+2Na"	46.985712
"1433802"	373.091746	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H+HCOOH"	47.012746
"226778"	354.10124	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+3H2O+2H"	56.04448
"1509008"	387.14379	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+IsoProp+H"	61.06479
"411615"	357.055188	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+Na+K"	61.952376
"779902"	520.094688	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+Na+K"	61.952376
"1675869"	194.015688	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Na+K"	61.952376
"257285"	716.173768	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+ACN+Na"	64.015768
"1230358"	390.094768	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+ACN+Na"	64.015768
"1716692"	390.118293	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+NH4+HCOOH"	64.039293
"1187513"	131.682218	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+3Na"	68.967654
"1659593"	395.073688	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Na+HCOOH"	68.994688
"167547"	729.07704	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+2K-H"	76.91904
"602731"	1055.15604	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+2K-H"	76.91904
"1090527"	402.99804	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2K-H"	76.91904
"148436"	365.042158	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"2M+2K"	77.926316
"589088"	528.081658	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"3M+2K"	77.926316
"1077977"	202.002658	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2K"	77.926316
"1107903"	405.012592	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2K+H"	78.933592
"1338820"	405.100207	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+DMSO+H"	79.021207
"1008443"	409.139376	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2ACN+H"	83.060376
"1525112"	410.133008	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+IsoProp+Na+H"	84.054008
"991932"	205.073326	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+2ACN+2H"	84.067652
"1588622"	411.047628	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+K+HCOOH"	84.968628
"1415740"	441.079138	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+H+CF3COOH"	115.000138
"1147850"	225.586601	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+3ACN+2H"	125.094202
"1702874"	458.105685	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+NH4+CF3COOH"	132.026685
"1648368"	463.06108	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+Na+CF3COOH"	136.98208
"1577457"	479.03502	"C10074"	"Jacareubin"	"C18H14O6"	"326.079"	"M+K+CF3COOH"	152.95602
"811105"	406.09	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M"	0
"981357"	387.07161	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-H2O-H"	-19.01839
"63317"	269.719390666667	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M-3H"	-3.021828
"505147"	405.082724	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M-3H"	-3.021828
"882585"	134.356057333333	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-3H"	-3.021828
"671"	405.082724	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M-2H"	-2.014552
"440717"	608.127724	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M-2H"	-2.014552
"818523"	202.037724	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-2H"	-2.014552
"80213"	811.172724	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M-H"	-1.007276
"519896"	1217.262724	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M-H"	-1.007276
"898060"	405.082724	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-H"	-1.007276
"48062"	828.199271	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M-2H+NH4"	16.019271
"494193"	1234.289271	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M-2H+NH4"	16.019271
"876370"	422.109271	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-2H+NH4"	16.019271
"43179"	833.154666	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M-2H+Na"	20.974666
"481647"	1239.244666	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M-2H+Na"	20.974666
"859449"	427.064666	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-2H+Na"	20.974666
"1626796"	427.064666	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Na-2H"	20.974666
"103326"	423.071063	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M-H+Cl"	33.962126
"546539"	626.116063	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M-H+Cl"	33.962126
"938596"	220.026063	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-H+Cl"	33.962126
"270595"	847.149402	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+Cl"	34.969402
"662651"	1253.239402	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+Cl"	34.969402
"1287332"	441.059402	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Cl"	34.969402
"27823"	849.128606	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M-2H+K"	36.948606
"467020"	1255.218606	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M-2H+K"	36.948606
"844091"	443.038606	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-2H+K"	36.948606
"1563205"	443.038606	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+K-2H"	36.948606
"948901"	451.088194	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-H+HCOOH"	44.998194
"366022"	857.178201	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+HCOOH-H"	44.998201
"350997"	871.193851	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+Hac-H"	59.013851
"1496549"	465.103851	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Hac-H"	59.013851
"958655"	473.070151	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-H+NaCOOH"	66.980151
"110807"	441.059402	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+2Cl"	69.938804
"550490"	644.104402	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+2Cl"	69.938804
"1021597"	238.014402	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2Cl"	69.938804
"1246405"	485.008885	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Br"	78.918885
"1307393"	487.064872	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Cl+HCOOH"	80.974872
"1320517"	509.046829	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Cl+NaCOOH"	102.956829
"912308"	519.075586	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M-H+CF3COOH"	112.985586
"1296307"	555.052264	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Cl+CF3COOH"	148.962264
"1372282"	371.077324	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H-2H2O"	-35.012676
"1388685"	389.0873	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H-H2O"	-17.0027
"289466"	813.187276	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+H"	1.007276
"682981"	1219.277276	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+H"	1.007276
"1357144"	407.097276	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H"	1.007276
"128209"	407.097276	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+2H"	2.014552
"570684"	610.142276	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+2H"	2.014552
"1038144"	204.052276	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2H"	2.014552
"205438"	271.733942666667	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+3H"	3.021828
"646944"	407.097276	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+3H"	3.021828
"1169442"	136.370609333333	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+3H"	3.021828
"431622"	830.213823	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+NH4"	18.033823
"797355"	1236.303823	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+NH4"	18.033823
"1693319"	424.123823	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+NH4"	18.033823
"336129"	415.6105495	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+H+NH4"	19.041099
"727822"	618.6555495	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+H+NH4"	19.041099
"1480185"	212.5655495	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H+NH4"	19.041099
"395222"	835.169218	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+Na"	22.989218
"756586"	1241.259218	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+Na"	22.989218
"1611248"	429.079218	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Na"	22.989218
"321285"	418.088247	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+H+Na"	23.996494
"715533"	621.133247	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+H+Na"	23.996494
"1463028"	215.043247	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H+Na"	23.996494
"1055304"	143.697923333333	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2H+Na"	25.00377
"1258442"	439.123486	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+CH3OH+H"	33.033486
"377988"	851.143158	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+K"	38.963158
"747492"	1257.233158	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+K"	38.963158
"1549181"	445.053158	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+K"	38.963158
"305627"	426.075217	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+H+K"	39.970434
"696955"	629.120217	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+H+K"	39.970434
"1450784"	223.030217	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H+K"	39.970434
"238291"	854.213826	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+ACN+H"	42.033826
"1215374"	448.123826	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+ACN+H"	42.033826
"1205818"	224.565551	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+ACN+2H"	43.041102
"194315"	857.15116	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+2Na-H"	44.97116
"637156"	1263.24116	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+2Na-H"	44.97116
"1139570"	451.06116	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2Na-H"	44.97116
"176300"	429.079218	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+2Na"	45.978436
"613915"	632.124218	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+2Na"	45.978436
"1115999"	226.034218	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2Na"	45.978436
"1403984"	151.025237333333	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H+2Na"	46.985712
"1433911"	453.102746	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H+HCOOH"	47.012746
"223608"	434.11224	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+3H2O+2H"	56.04448
"1508789"	467.15479	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+IsoProp+H"	61.06479
"412818"	437.066188	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+Na+K"	61.952376
"772720"	640.111188	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+Na+K"	61.952376
"1674156"	234.021188	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Na+K"	61.952376
"254479"	876.195768	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+ACN+Na"	64.015768
"1229739"	470.105768	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+ACN+Na"	64.015768
"1716802"	470.129293	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+NH4+HCOOH"	64.039293
"1187623"	158.352551333333	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+3Na"	68.967654
"1657516"	475.084688	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Na+HCOOH"	68.994688
"162554"	889.09904	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+2K-H"	76.91904
"602841"	1295.18904	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+2K-H"	76.91904
"1089543"	483.00904	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2K-H"	76.91904
"147452"	445.053158	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"2M+2K"	77.926316
"588105"	648.098158	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"3M+2K"	77.926316
"1071523"	242.008158	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2K"	77.926316
"1103639"	485.023592	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2K+H"	78.933592
"1337838"	485.111207	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+DMSO+H"	79.021207
"1007824"	489.150376	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2ACN+H"	83.060376
"1525950"	490.144008	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+IsoProp+Na+H"	84.054008
"993137"	245.078826	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+2ACN+2H"	84.067652
"1589462"	491.058628	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+K+HCOOH"	84.968628
"1416944"	521.090138	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+H+CF3COOH"	115.000138
"1148326"	265.592101	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+3ACN+2H"	125.094202
"1701891"	538.116685	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+NH4+CF3COOH"	132.026685
"1648478"	543.07208	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+Na+CF3COOH"	136.98208
"1577567"	559.04602	"C10075"	"Lancerin;4-C-Glucosyl-137-trihydroxyxanthone"	"C19H18O10"	"406.09"	"M+K+CF3COOH"	152.95602
"814497"	394.1416	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M"	0
"984751"	375.12321	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-H2O-H"	-19.01839
"75183"	261.753790666667	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M-3H"	-3.021828
"518353"	393.134324	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M-3H"	-3.021828
"884890"	130.373257333333	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-3H"	-3.021828
"11120"	393.134324	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M-2H"	-2.014552
"451774"	590.205124	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M-2H"	-2.014552
"824107"	196.063524	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-2H"	-2.014552
"90661"	787.275924	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M-H"	-1.007276
"532048"	1181.417524	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M-H"	-1.007276
"906939"	393.134324	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-H"	-1.007276
"60217"	804.302471	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M-2H+NH4"	16.019271
"499780"	1198.444071	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M-2H+NH4"	16.019271
"878309"	410.160871	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-2H+NH4"	16.019271
"44019"	809.257866	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M-2H+Na"	20.974666
"475196"	1203.399466	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M-2H+Na"	20.974666
"856279"	415.116266	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-2H+Na"	20.974666
"1630190"	415.116266	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Na-2H"	20.974666
"107090"	411.122663	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M-H+Cl"	33.962126
"545560"	608.193463	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M-H+Cl"	33.962126
"936522"	214.051863	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-H+Cl"	33.962126
"268517"	823.252602	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+Cl"	34.969402
"672613"	1217.394202	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+Cl"	34.969402
"1282098"	429.111002	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Cl"	34.969402
"26842"	825.231806	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M-2H+K"	36.948606
"462030"	1219.373406	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M-2H+K"	36.948606
"844203"	431.090206	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-2H+K"	36.948606
"1566599"	431.090206	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+K-2H"	36.948606
"952293"	439.139794	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-H+HCOOH"	44.998194
"370509"	833.281401	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+HCOOH-H"	44.998201
"353298"	847.297051	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+Hac-H"	59.013851
"1498851"	453.155451	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Hac-H"	59.013851
"965299"	461.121751	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-H+NaCOOH"	66.980151
"118579"	429.111002	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+2Cl"	69.938804
"553764"	626.181802	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+2Cl"	69.938804
"1025847"	232.040202	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2Cl"	69.938804
"1251987"	473.060485	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Br"	78.918885
"1312247"	475.116472	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Cl+HCOOH"	80.974872
"1330841"	497.098429	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Cl+NaCOOH"	102.956829
"920807"	507.127186	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M-H+CF3COOH"	112.985586
"1293142"	543.103864	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Cl+CF3COOH"	148.962264
"1378955"	359.128924	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H-2H2O"	-35.012676
"1387706"	377.1389	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H-H2O"	-17.0027
"288485"	789.290476	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+H"	1.007276
"686373"	1183.432076	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+H"	1.007276
"1357252"	395.148876	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H"	1.007276
"135611"	395.148876	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+2H"	2.014552
"578088"	592.219676	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+2H"	2.014552
"1045063"	198.078076	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2H"	2.014552
"206644"	263.768342666667	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+3H"	3.021828
"645352"	395.148876	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+3H"	3.021828
"1168459"	132.387809333333	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+3H"	3.021828
"429545"	806.317023	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+NH4"	18.033823
"792727"	1200.458623	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+NH4"	18.033823
"1690150"	412.175423	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+NH4"	18.033823
"338429"	403.6621495	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+H+NH4"	19.041099
"727568"	600.7329495	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+H+NH4"	19.041099
"1479204"	206.5913495	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H+NH4"	19.041099
"393758"	811.272418	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+Na"	22.989218
"764357"	1205.414018	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+Na"	22.989218
"1615373"	417.130818	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Na"	22.989218
"315921"	406.139847	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+H+Na"	23.996494
"712722"	603.210647	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+H+Na"	23.996494
"1472012"	209.069047	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H+Na"	23.996494
"1059790"	139.715123333333	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2H+Na"	25.00377
"1265844"	427.175086	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+CH3OH+H"	33.033486
"388796"	827.246358	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+K"	38.963158
"750886"	1221.387958	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+K"	38.963158
"1548566"	433.104758	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+K"	38.963158
"309020"	414.126817	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+H+K"	39.970434
"699256"	611.197617	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+H+K"	39.970434
"1453077"	217.056017	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H+K"	39.970434
"248610"	830.317026	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+ACN+H"	42.033826
"1221686"	436.175426	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+ACN+H"	42.033826
"1205205"	218.591351	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+ACN+2H"	43.041102
"200628"	833.25436	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+2Na-H"	44.97116
"638364"	1227.39596	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+2Na-H"	44.97116
"1145154"	439.11276	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2Na-H"	44.97116
"183339"	417.130818	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+2Na"	45.978436
"623265"	614.201618	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+2Na"	45.978436
"1125676"	220.060018	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2Na"	45.978436
"1410295"	147.042437333333	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H+2Na"	46.985712
"1439495"	441.154346	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H+HCOOH"	47.012746
"232838"	422.16384	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+3H2O+2H"	56.04448
"1521628"	455.20639	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+IsoProp+H"	61.06479
"419127"	425.117788	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+Na+K"	61.952376
"776845"	622.188588	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+Na+K"	61.952376
"1674267"	228.046988	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Na+K"	61.952376
"259693"	852.298968	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+ACN+Na"	64.015768
"1226570"	458.157368	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+ACN+Na"	64.015768
"1716914"	458.180893	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+NH4+HCOOH"	64.039293
"1181176"	154.369751333333	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+3Na"	68.967654
"1658722"	463.136288	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Na+HCOOH"	68.994688
"160479"	865.20224	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+2K-H"	76.91904
"598582"	1259.34384	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+2K-H"	76.91904
"1087466"	471.06064	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2K-H"	76.91904
"144284"	433.104758	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"2M+2K"	77.926316
"583480"	630.175558	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"3M+2K"	77.926316
"1070909"	236.033958	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2K"	77.926316
"1103025"	473.075192	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2K+H"	78.933592
"1337952"	473.162807	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+DMSO+H"	79.021207
"1007939"	477.201976	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2ACN+H"	83.060376
"1530076"	478.195608	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+IsoProp+Na+H"	84.054008
"995433"	239.104626	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+2ACN+2H"	84.067652
"1589937"	479.110228	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+K+HCOOH"	84.968628
"1416689"	509.141738	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+H+CF3COOH"	115.000138
"1148074"	259.617901	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+3ACN+2H"	125.094202
"1702001"	526.168285	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+NH4+CF3COOH"	132.026685
"1643120"	531.12368	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+Na+CF3COOH"	136.98208
"1574397"	547.09762	"C10076"	"Macluraxanthone;3-Hydroxyblancoxanthone"	"C23H22O6"	"394.1416"	"M+K+CF3COOH"	152.95602
"811325"	422.0849	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M"	0
"979390"	403.06651	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-H2O-H"	-19.01839
"65812"	280.382657333333	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M-3H"	-3.021828
"517041"	421.077624	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M-3H"	-3.021828
"893748"	139.687690666667	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-3H"	-3.021828
"3575"	421.077624	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M-2H"	-2.014552
"452978"	632.120074	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M-2H"	-2.014552
"822031"	210.035174	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-2H"	-2.014552
"90771"	843.162524	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M-H"	-1.007276
"528144"	1265.247424	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M-H"	-1.007276
"907048"	421.077624	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-H"	-1.007276
"58141"	860.189071	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M-2H+NH4"	16.019271
"500855"	1282.273971	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M-2H+NH4"	16.019271
"876962"	438.104171	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-2H+NH4"	16.019271
"45956"	865.144466	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M-2H+Na"	20.974666
"484054"	1287.229366	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M-2H+Na"	20.974666
"857482"	443.059566	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-2H+Na"	20.974666
"1630300"	443.059566	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Na-2H"	20.974666
"105742"	439.065963	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M-H+Cl"	33.962126
"546398"	650.108413	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M-H+Cl"	33.962126
"936632"	228.023513	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-H+Cl"	33.962126
"269720"	879.139202	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+Cl"	34.969402
"674303"	1301.224102	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+Cl"	34.969402
"1282208"	457.054302	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Cl"	34.969402
"29138"	881.118406	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M-2H+K"	36.948606
"469792"	1303.203306	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M-2H+K"	36.948606
"846866"	459.033506	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-2H+K"	36.948606
"1568895"	459.033506	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+K-2H"	36.948606
"951310"	467.083094	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-H+HCOOH"	44.998194
"370619"	889.168001	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+HCOOH-H"	44.998201
"352315"	903.183651	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+Hac-H"	59.013851
"1498961"	481.098751	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Hac-H"	59.013851
"964316"	489.065051	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-H+NaCOOH"	66.980151
"117596"	457.054302	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+2Cl"	69.938804
"556789"	668.096752	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+2Cl"	69.938804
"1028143"	246.011852	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2Cl"	69.938804
"1249910"	501.003785	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Br"	78.918885
"1316732"	503.059772	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Cl+HCOOH"	80.974872
"1333137"	525.041729	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Cl+NaCOOH"	102.956829
"926384"	535.070486	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M-H+CF3COOH"	112.985586
"1301999"	571.047164	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Cl+CF3COOH"	148.962264
"1382346"	387.072224	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H-2H2O"	-35.012676
"1386723"	405.0822	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H-H2O"	-17.0027
"289689"	845.177076	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+H"	1.007276
"688671"	1267.261976	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+H"	1.007276
"1361737"	423.092176	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H"	1.007276
"137909"	423.092176	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+2H"	2.014552
"577469"	634.134626	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+2H"	2.014552
"1044081"	212.049726	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2H"	2.014552
"206023"	282.397209333333	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+3H"	3.021828
"644977"	423.092176	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+3H"	3.021828
"1167477"	141.702242666667	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+3H"	3.021828
"428563"	862.203623	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+NH4"	18.033823
"793930"	1284.288523	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+NH4"	18.033823
"1689168"	440.118723	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+NH4"	18.033823
"338540"	431.6054495	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+H+NH4"	19.041099
"733146"	642.6478995	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+H+NH4"	19.041099
"1481502"	220.5629995	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H+NH4"	19.041099
"393261"	867.159018	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+Na"	22.989218
"763374"	1289.243918	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+Na"	22.989218
"1616576"	445.074118	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Na"	22.989218
"325884"	434.083147	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+H+Na"	23.996494
"717210"	645.125597	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+H+Na"	23.996494
"1471028"	223.040697	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H+Na"	23.996494
"1057712"	149.029556666667	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2H+Na"	25.00377
"1261581"	455.118386	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+CH3OH+H"	33.033486
"386719"	883.132958	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+K"	38.963158
"746623"	1305.217858	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+K"	38.963158
"1547585"	461.048058	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+K"	38.963158
"305854"	442.070117	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+H+K"	39.970434
"696087"	653.112567	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+H+K"	39.970434
"1449908"	231.027667	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H+K"	39.970434
"242887"	886.203626	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+ACN+H"	42.033826
"1217782"	464.118726	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+ACN+H"	42.033826
"1205313"	232.563001	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+ACN+2H"	43.041102
"200372"	889.14096	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+2Na-H"	44.97116
"639566"	1311.22586	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+2Na-H"	44.97116
"1138697"	467.05606	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2Na-H"	44.97116
"184174"	445.074118	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+2Na"	45.978436
"620454"	656.116568	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+2Na"	45.978436
"1125056"	234.031668	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2Na"	45.978436
"1409675"	156.356870666667	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H+2Na"	46.985712
"1438511"	469.097646	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H+HCOOH"	47.012746
"228206"	450.10714	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+3H2O+2H"	56.04448
"1517366"	483.14969	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+IsoProp+H"	61.06479
"417049"	453.061088	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+Na+K"	61.952376
"776956"	664.103538	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+Na+K"	61.952376
"1672190"	242.018638	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Na+K"	61.952376
"255431"	908.185568	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+ACN+Na"	64.015768
"1228139"	486.100668	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+ACN+Na"	64.015768
"1712721"	486.124193	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+NH4+HCOOH"	64.039293
"1182379"	163.684184666667	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+3Na"	68.967654
"1655552"	491.079588	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Na+HCOOH"	68.994688
"162412"	921.08884	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+2K-H"	76.91904
"597719"	1343.17374	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+2K-H"	76.91904
"1087578"	499.00394	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2K-H"	76.91904
"143301"	461.048058	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"2M+2K"	77.926316
"583953"	672.090508	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"3M+2K"	77.926316
"1072842"	250.005608	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2K"	77.926316
"1103861"	501.018492	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2K+H"	78.933592
"1337697"	501.106107	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+DMSO+H"	79.021207
"1008410"	505.145276	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2ACN+H"	83.060376
"1525444"	506.138908	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+IsoProp+Na+H"	84.054008
"991525"	253.076276	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+2ACN+2H"	84.067652
"1592234"	507.053528	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+K+HCOOH"	84.968628
"1417893"	537.085038	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+H+CF3COOH"	115.000138
"1147815"	273.589551	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+3ACN+2H"	125.094202
"1702111"	554.111585	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+NH4+CF3COOH"	132.026685
"1639950"	559.06698	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+Na+CF3COOH"	136.98208
"1574506"	575.04092	"C10077"	"Mangiferin;Chinomin"	"C19H18O11"	"422.0849"	"M+K+CF3COOH"	152.95602
"808155"	302.0427	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M"	0
"975490"	283.02431	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"66651"	200.354524	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"518370"	301.035424	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"892765"	99.673624	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"2589"	301.035424	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"448714"	452.056774	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"823235"	150.014074	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"86507"	603.078124	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"528254"	905.120824	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"907520"	301.035424	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"58248"	620.104671	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"499629"	922.147371	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"875610"	318.061971	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"42414"	625.060066	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"485622"	927.102766	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"860872"	323.017366	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1630407"	323.017366	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"106939"	319.023763	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"545050"	470.045113	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"936742"	168.002413	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"275301"	639.054802	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"666628"	941.097502	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1282318"	337.012102	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"25968"	641.034006	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"466622"	943.076706	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"843331"	338.991306	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1560260"	338.991306	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"953609"	347.040894	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"368544"	649.083601	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"351333"	663.099251	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1496884"	361.056551	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"965519"	369.022851	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"117707"	337.012102	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"554712"	488.033452	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1028255"	185.990752	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1248927"	380.961585	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1314655"	383.017572	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1332883"	404.999529	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"923218"	415.028286	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1301018"	451.004964	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1381364"	267.030024	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1392299"	285.04	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"294172"	605.092676	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"689511"	907.135376	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1365494"	303.049976	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"134737"	303.049976	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"578308"	454.071326	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1045284"	152.028626	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"206624"	202.369076	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"646183"	303.049976	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1165401"	101.688176	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"429765"	622.119223	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"792946"	924.161923	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1687092"	320.076523	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"340835"	311.5632495	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"734351"	462.5845995	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1483798"	160.5418995	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"393126"	627.074618	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"763483"	929.117318	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1617415"	325.031918	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"325994"	314.040947	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"716228"	465.062297	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1470045"	163.019597	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1058917"	109.01549	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1264971"	335.076186	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"382456"	643.048558	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"745639"	945.091258	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1548789"	341.005858	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"305964"	322.027917	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"699479"	473.049267	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1452207"	171.006567	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"244090"	646.119226	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1217892"	344.076526	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1205787"	172.541901	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"201939"	649.05656	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"639676"	951.09926	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1140994"	347.01386	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"182097"	325.031918	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"619471"	476.053268	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1124072"	174.010568	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1409785"	116.342804	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1439714"	349.055446	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"227223"	330.06494	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1520755"	363.10749	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"418253"	333.018888	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"781439"	484.040238	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1671207"	181.997538	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"257728"	668.101168	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1229343"	366.058468	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1718230"	366.081993	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1184676"	123.670118	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1651289"	371.037388	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"162522"	681.00444	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"599895"	983.04714	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1088781"	378.96174	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"145598"	341.005858	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"583336"	492.027208	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1072953"	189.984508	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1103242"	380.976292	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1339264"	381.063907	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1008885"	385.103076	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1526282"	386.096708	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"992729"	193.055176	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1594530"	387.011328	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1415816"	417.042838	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1149385"	213.568451	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1698938"	434.069385	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1640060"	439.02478	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1573522"	454.99872	"C10078"	"Hypolaetin;8-Hydroxyluteolin"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"808265"	302.0427	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M"	0
"978516"	283.02431	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"66396"	200.354524	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"507415"	301.035424	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"880354"	99.673624	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"4885"	301.035424	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"442259"	452.056774	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"818967"	150.014074	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"78917"	603.078124	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"528363"	905.120824	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"901791"	301.035424	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"60543"	620.104671	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"492447"	922.147371	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"873531"	318.061971	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"39244"	625.060066	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"486381"	927.102766	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"863168"	323.017366	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1630517"	323.017366	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"107048"	319.023763	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"545160"	470.045113	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"935756"	168.002413	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"275411"	639.054802	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"672206"	941.097502	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1281335"	337.012102	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"23891"	641.034006	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"460172"	943.076706	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"841254"	338.991306	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1561463"	338.991306	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"951532"	347.040894	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"370840"	649.083601	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"353629"	663.099251	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1499180"	361.056551	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"963440"	369.022851	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"113076"	337.012102	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"552632"	488.033452	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1029457"	185.990752	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1252316"	380.961585	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1313671"	383.017572	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1333358"	404.999529	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"921137"	415.028286	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1300031"	451.004964	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1381476"	267.030024	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1394595"	285.04	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"295374"	605.092676	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"685609"	907.135376	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1359770"	303.049976	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"135940"	303.049976	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"573313"	454.071326	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1041020"	152.028626	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"206734"	202.369076	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"646293"	303.049976	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1168791"	101.688176	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"430969"	622.119223	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"794151"	924.161923	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1689388"	320.076523	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"339852"	311.5632495	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"731180"	462.5845995	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1481722"	160.5418995	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"393722"	627.074618	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"763593"	929.117318	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1617160"	325.031918	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"327198"	314.040947	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"717432"	465.062297	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1470155"	163.019597	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1060120"	109.01549	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1258882"	335.076186	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"384752"	643.048558	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"746842"	945.091258	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1549991"	341.005858	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"304981"	322.027917	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"699590"	473.049267	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1453408"	171.006567	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"239824"	646.119226	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1213628"	344.076526	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1199698"	172.541901	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"199133"	649.05656	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"637599"	951.09926	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1142197"	347.01386	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"183301"	325.031918	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"621768"	476.053268	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1123087"	174.010568	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1410988"	116.342804	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1438730"	349.055446	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"227333"	330.06494	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1518317"	363.10749	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"418363"	333.018888	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"781186"	484.040238	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1672412"	181.997538	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"257838"	668.101168	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1229453"	366.058468	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1719434"	366.081993	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1184786"	123.670118	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1654679"	371.037388	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"159717"	681.00444	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"603285"	983.04714	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1089984"	378.96174	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"145708"	341.005858	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"582353"	492.027208	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1073063"	189.984508	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1101897"	380.976292	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1338278"	381.063907	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1008633"	385.103076	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1526029"	386.096708	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"991746"	193.055176	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1592454"	387.011328	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1418479"	417.042838	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1148768"	213.568451	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1699048"	434.069385	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1640170"	439.02478	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1578007"	454.99872	"C10079"	"Isoetin;57245-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"805095"	410.1729	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M"	0
"975346"	391.15451	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-H2O-H"	-19.01839
"66871"	272.441324	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M-3H"	-3.021828
"504974"	409.165624	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M-3H"	-3.021828
"880223"	135.717024	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-3H"	-3.021828
"6088"	409.165624	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M-2H"	-2.014552
"442369"	614.252074	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M-2H"	-2.014552
"817984"	204.079174	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-2H"	-2.014552
"80164"	819.338524	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M-H"	-1.007276
"527380"	1229.511424	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M-H"	-1.007276
"896430"	409.165624	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-H"	-1.007276
"59560"	836.365071	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M-2H+NH4"	16.019271
"492557"	1246.537971	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M-2H+NH4"	16.019271
"874734"	426.192171	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-2H+NH4"	16.019271
"33157"	841.320466	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M-2H+Na"	20.974666
"478915"	1251.493366	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M-2H+Na"	20.974666
"859998"	431.147566	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-2H+Na"	20.974666
"1627348"	431.147566	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Na-2H"	20.974666
"106065"	427.153963	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M-H+Cl"	33.962126
"541258"	632.240413	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M-H+Cl"	33.962126
"938053"	222.067513	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-H+Cl"	33.962126
"275521"	855.315202	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+Cl"	34.969402
"671223"	1265.488102	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+Cl"	34.969402
"1283627"	445.142302	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Cl"	34.969402
"28373"	857.294406	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M-2H+K"	36.948606
"467933"	1267.467306	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M-2H+K"	36.948606
"841361"	447.121506	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-2H+K"	36.948606
"1559381"	447.121506	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+K-2H"	36.948606
"957718"	455.171094	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-H+HCOOH"	44.998194
"370950"	865.344001	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+HCOOH-H"	44.998201
"357019"	879.359651	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+Hac-H"	59.013851
"1502570"	469.186751	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Hac-H"	59.013851
"962457"	477.153051	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-H+NaCOOH"	66.980151
"112458"	445.142302	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+2Cl"	69.938804
"552744"	650.228752	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+2Cl"	69.938804
"1032847"	240.055852	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2Cl"	69.938804
"1251333"	489.091785	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Br"	78.918885
"1315968"	491.147772	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Cl+HCOOH"	80.974872
"1334561"	513.129729	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Cl+NaCOOH"	102.956829
"924527"	523.158486	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M-H+CF3COOH"	112.985586
"1300141"	559.135164	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Cl+CF3COOH"	148.962264
"1382719"	375.160224	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H-2H2O"	-35.012676
"1397988"	393.1702	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H-H2O"	-17.0027
"294391"	821.353076	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+H"	1.007276
"690093"	1231.525976	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+H"	1.007276
"1359880"	411.180176	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H"	1.007276
"138236"	411.180176	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+2H"	2.014552
"573424"	616.266626	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+2H"	2.014552
"1041130"	206.093726	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2H"	2.014552
"206844"	274.455876	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+3H"	3.021828
"647496"	411.180176	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+3H"	3.021828
"1167808"	137.731576	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+3H"	3.021828
"433265"	838.379623	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+NH4"	18.033823
"794262"	1248.552523	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+NH4"	18.033823
"1690593"	428.206723	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+NH4"	18.033823
"341788"	419.6934495	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+H+NH4"	19.041099
"734570"	624.7798995	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+H+NH4"	19.041099
"1486205"	214.6069995	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H+NH4"	19.041099
"396143"	843.335018	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+Na"	22.989218
"762609"	1253.507918	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+Na"	22.989218
"1611802"	433.162118	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Na"	22.989218
"324028"	422.171147	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+H+Na"	23.996494
"716447"	627.257597	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+H+Na"	23.996494
"1470267"	217.084697	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H+Na"	23.996494
"1058042"	145.05889	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2H+Na"	25.00377
"1260815"	443.206386	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+CH3OH+H"	33.033486
"381576"	859.308958	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+K"	38.963158
"738928"	1269.481858	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+K"	38.963158
"1545722"	449.136058	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+K"	38.963158
"307273"	430.158117	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+H+K"	39.970434
"696418"	635.244567	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+H+K"	39.970434
"1452424"	225.071667	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H+K"	39.970434
"238837"	862.379626	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+ACN+H"	42.033826
"1214831"	452.206726	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+ACN+H"	42.033826
"1199079"	226.607001	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+ACN+2H"	43.041102
"197053"	865.31696	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+2Na-H"	44.97116
"637709"	1275.48986	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+2Na-H"	44.97116
"1141213"	455.14406	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2Na-H"	44.97116
"181224"	433.162118	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+2Na"	45.978436
"625159"	638.248568	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+2Na"	45.978436
"1121739"	228.075668	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2Na"	45.978436
"1408179"	152.386204	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H+2Na"	46.985712
"1435193"	457.185646	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H+HCOOH"	47.012746
"224162"	438.19514	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+3H2O+2H"	56.04448
"1517693"	471.23769	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+IsoProp+H"	61.06479
"414463"	441.149088	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+Na+K"	61.952376
"783847"	646.235538	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+Na+K"	61.952376
"1673615"	236.062638	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Na+K"	61.952376
"259041"	884.361568	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+ACN+Na"	64.015768
"1229563"	474.188668	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+ACN+Na"	64.015768
"1714805"	474.212193	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+NH4+HCOOH"	64.039293
"1183803"	159.713518	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+3Na"	68.967654
"1653696"	479.167588	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Na+HCOOH"	68.994688
"158492"	897.26484	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+2K-H"	76.91904
"603395"	1307.43774	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+2K-H"	76.91904
"1089002"	487.09194	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2K-H"	76.91904
"150193"	449.136058	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"2M+2K"	77.926316
"584286"	654.222508	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"3M+2K"	77.926316
"1073173"	244.049608	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2K"	77.926316
"1103100"	489.106492	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2K+H"	78.933592
"1340580"	489.194107	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+DMSO+H"	79.021207
"1008377"	493.233276	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2ACN+H"	83.060376
"1528324"	494.226908	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+IsoProp+Na+H"	84.054008
"991494"	247.120276	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+2ACN+2H"	84.067652
"1591471"	495.141528	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+K+HCOOH"	84.968628
"1417132"	525.173038	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+H+CF3COOH"	115.000138
"1148877"	267.633551	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+3ACN+2H"	125.094202
"1698429"	542.199585	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+NH4+CF3COOH"	132.026685
"1636994"	547.15498	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+Na+CF3COOH"	136.98208
"1574837"	563.12892	"C10080"	"Mangostin"	"C24H26O6"	"410.1729"	"M+K+CF3COOH"	152.95602
"808485"	258.0528	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M"	0
"975456"	239.03441	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"65888"	171.027924	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"505448"	257.045524	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"880369"	85.010324	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"683"	257.045524	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"442479"	386.071924	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"819186"	128.019124	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"80268"	515.098324	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"523115"	773.151124	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"899824"	257.045524	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"49825"	532.124871	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"490480"	790.177671	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"873751"	274.072071	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"32903"	537.080266	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"476838"	795.133066	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"859014"	279.027466	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1628552"	279.027466	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"105082"	275.033863	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"544649"	404.060263	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"935977"	146.007463	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"276726"	551.075002	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"671333"	809.127802	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1282644"	293.022202	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"28483"	553.054206	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"469136"	811.107006	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"841471"	295.001406	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1559491"	295.001406	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"955033"	303.050994	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"368873"	561.103801	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"354943"	575.119451	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1499400"	317.066651	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"960379"	325.032951	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"114755"	293.022202	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"552854"	422.048602	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1031865"	163.995802	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1251443"	336.971685	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1314985"	339.027672	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1332483"	361.009629	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"924637"	371.038386	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1303534"	407.015064	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1381333"	223.040124	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1397002"	241.0501	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"294501"	517.112876	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"686923"	775.165676	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1359990"	259.060076	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"135066"	259.060076	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"573534"	388.086476	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1040145"	130.033676	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"208047"	173.042476	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"647606"	259.060076	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1167918"	87.024876	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"430095"	534.139423	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"794372"	792.192223	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1691798"	276.086623	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"337889"	267.5733495	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"734682"	396.5997495	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1484128"	138.5469495	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"398440"	539.094818	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"763812"	797.147618	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1613005"	281.042018	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"323045"	270.051047	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"717651"	399.077447	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1469284"	141.024647	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1058152"	94.35219	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1259832"	291.086286	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"381686"	555.068758	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"739764"	813.121558	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1544740"	297.015958	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"301916"	278.038017	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"694342"	407.064417	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1449254"	149.011617	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"237124"	558.139426	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1213119"	300.086626	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1199553"	150.546951	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"191330"	561.07676	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"636725"	819.12956	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1136948"	303.02396	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"175502"	281.042018	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"619074"	410.068418	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1119298"	152.015618	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1402458"	101.679504	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1433846"	305.065546	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"226460"	286.07504	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1517803"	319.11759	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"420769"	289.028988	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"782864"	418.055388	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1674818"	160.002588	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"255871"	580.121368	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1229673"	322.068568	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1714552"	322.092093	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1185008"	109.006818	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1658181"	327.047488	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"163947"	593.02464	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"601321"	851.07744	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1090204"	334.97184	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"144835"	297.015958	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"584396"	426.042358	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1074377"	167.989558	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1105398"	336.986392	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1341785"	337.074007	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1008126"	341.113176	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1526613"	342.106808	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"991845"	171.060226	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1594863"	343.021428	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1418336"	373.052938	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1149718"	191.573501	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1699271"	390.079485	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1635282"	395.03488	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1573852"	411.00882	"C10081"	"Mesuaxanthone A;15-Dihydroxy-3-methoxyxanthone"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"811876"	244.0372	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M"	0
"987596"	225.01881	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H2O-H"	-19.01839
"74749"	161.684190666667	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-3H"	-3.021828
"511030"	243.029924	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-3H"	-3.021828
"884458"	80.3384573333333	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-3H"	-3.021828
"4122"	243.029924	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H"	-2.014552
"449154"	365.048524	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H"	-2.014552
"822580"	121.011324	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H"	-2.014552
"88041"	487.067124	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-H"	-1.007276
"525414"	731.104324	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-H"	-1.007276
"903215"	243.029924	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H"	-1.007276
"55402"	504.093671	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+NH4"	16.019271
"496059"	748.130871	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+NH4"	16.019271
"871674"	260.056471	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+NH4"	16.019271
"39574"	509.049066	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+Na"	20.974666
"483147"	753.086266	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+Na"	20.974666
"859127"	265.011866	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+Na"	20.974666
"1628663"	265.011866	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na-2H"	20.974666
"105192"	261.018263	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-H+Cl"	33.962126
"543666"	383.036863	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-H+Cl"	33.962126
"940101"	138.999663	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+Cl"	33.962126
"272461"	523.043802	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Cl"	34.969402
"668163"	767.081002	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Cl"	34.969402
"1286038"	279.006602	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl"	34.969402
"26407"	525.023006	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+K"	36.948606
"464875"	769.060206	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+K"	36.948606
"843770"	280.985806	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+K"	36.948606
"1561790"	280.985806	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K-2H"	36.948606
"958062"	289.035394	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+HCOOH"	44.998194
"375913"	533.072601	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+HCOOH-H"	44.998201
"359796"	547.088251	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Hac-H"	59.013851
"1503888"	303.051051	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Hac-H"	59.013851
"968147"	311.017351	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+NaCOOH"	66.980151
"117055"	279.006602	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Cl"	69.938804
"558803"	401.025202	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Cl"	69.938804
"1029790"	156.988002	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Cl"	69.938804
"1250463"	322.956085	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Br"	78.918885
"1317284"	325.012072	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+HCOOH"	80.974872
"1335027"	346.994029	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+NaCOOH"	102.956829
"924751"	357.022786	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+CF3COOH"	112.985586
"1303278"	392.999464	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+CF3COOH"	148.962264
"1382574"	209.024524	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H-2H2O"	-35.012676
"1397842"	227.0345	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H-H2O"	-17.0027
"297774"	489.081676	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H"	1.007276
"691290"	733.118876	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H"	1.007276
"1363383"	245.044476	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H"	1.007276
"136271"	245.044476	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2H"	2.014552
"573644"	367.063076	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2H"	2.014552
"1049006"	123.025876	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2H"	2.014552
"215814"	163.698742666667	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+3H"	3.021828
"657562"	245.044476	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+3H"	3.021828
"1170217"	82.3530093333333	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3H"	3.021828
"434583"	506.108223	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+NH4"	18.033823
"793390"	750.145423	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+NH4"	18.033823
"1690814"	262.071023	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4"	18.033823
"341280"	253.5577495	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+NH4"	19.041099
"733701"	375.5763495	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+NH4"	19.041099
"1487525"	131.5391495	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+NH4"	19.041099
"407996"	511.063618	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Na"	22.989218
"767207"	755.100818	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Na"	22.989218
"1615303"	267.026418	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na"	22.989218
"327523"	256.035447	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+Na"	23.996494
"721039"	378.054047	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+Na"	23.996494
"1473765"	134.016847	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+Na"	23.996494
"1060449"	89.6803233333333	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2H+Na"	25.00377
"1261038"	277.070686	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+CH3OH+H"	33.033486
"379610"	527.037558	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+K"	38.963158
"742789"	771.074758	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+K"	38.963158
"1552147"	283.000358	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K"	38.963158
"305310"	264.022417	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+K"	39.970434
"698829"	386.041017	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+K"	39.970434
"1450460"	142.003817	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+K"	39.970434
"240154"	530.108226	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+ACN+H"	42.033826
"1213960"	286.071026	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+H"	42.033826
"1205500"	143.539151	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+2H"	43.041102
"196182"	533.04556	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Na-H"	44.97116
"635745"	777.08276	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Na-H"	44.97116
"1140342"	289.00836	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Na-H"	44.97116
"177070"	267.026418	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Na"	45.978436
"622100"	389.045018	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Na"	45.978436
"1120142"	145.007818	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Na"	45.978436
"1410226"	97.0076373333333	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+2Na"	46.985712
"1436874"	291.049946	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+HCOOH"	47.012746
"232772"	272.05944	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+3H2O+2H"	56.04448
"1521564"	305.10199	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+IsoProp+H"	61.06479
"423437"	275.013388	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Na+K"	61.952376
"782250"	397.031988	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Na+K"	61.952376
"1677848"	152.994788	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+K"	61.952376
"262545"	552.090168	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+ACN+Na"	64.015768
"1234160"	308.052968	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+Na"	64.015768
"1723045"	308.076493	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4+HCOOH"	64.039293
"1190588"	104.334951333333	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3Na"	68.967654
"1662667"	313.031888	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+HCOOH"	68.994688
"170619"	564.99344	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2K-H"	76.91904
"604713"	809.03064	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2K-H"	76.91904
"1090317"	320.95624	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K-H"	76.91904
"147136"	283.000358	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2K"	77.926316
"587790"	405.018958	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2K"	77.926316
"1079955"	160.981758	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K"	77.926316
"1113894"	322.970792	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K+H"	78.933592
"1345176"	323.058407	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+DMSO+H"	79.021207
"1014800"	327.097576	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2ACN+H"	83.060376
"1527457"	328.091208	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+IsoProp+Na+H"	84.054008
"993904"	164.052426	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2ACN+2H"	84.067652
"1596066"	329.005828	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K+HCOOH"	84.968628
"1421726"	359.037338	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+CF3COOH"	115.000138
"1155295"	184.565701	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3ACN+2H"	125.094202
"1703751"	376.063885	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4+CF3COOH"	132.026685
"1638310"	381.01928	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+CF3COOH"	136.98208
"1572869"	396.99322	"C10082"	"Mesuaxanthone B;156-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K+CF3COOH"	152.95602
"806518"	288.0634	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M"	0
"974289"	269.04501	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"76313"	191.034990666667	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"510043"	287.056124	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"880189"	95.0138573333333	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"2042"	287.056124	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"440630"	431.087824	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"821593"	143.024424	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"81587"	575.119524	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"521149"	863.182924	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"900045"	287.056124	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"47977"	592.146071	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"490701"	880.209471	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"870691"	304.082671	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"39684"	597.101466	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"482528"	885.164866	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"859237"	309.038066	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1628773"	309.038066	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"106395"	305.044463	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"544869"	449.076163	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"940570"	161.012763	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"276946"	611.096202	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"664993"	899.159602	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1286150"	323.032802	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"24330"	613.075406	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"463891"	901.138806	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"843880"	325.012006	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1561900"	325.012006	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"956348"	333.061594	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"374199"	621.125001	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"354070"	635.140651	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1502903"	347.077251	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"963883"	355.043551	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"117163"	323.032802	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"560006"	467.064502	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1033908"	179.001102	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1254946"	366.982285	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1315206"	369.038272	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1335142"	391.020229	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"923769"	401.048986	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1303877"	437.025664	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1381436"	253.050724	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1398080"	271.0607	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"298211"	577.134076	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"691219"	865.197476	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1366837"	289.070676	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"138567"	289.070676	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"579221"	433.102376	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1051302"	145.038976	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"218110"	193.049542666667	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"658401"	289.070676	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1169233"	97.0284093333333	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"434692"	594.160623	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"793501"	882.224023	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1690924"	306.097223	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"341390"	297.5839495	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"737459"	441.6156495	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1488364"	153.5522495	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"408420"	599.116018	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"769139"	887.179418	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1613226"	311.052618	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"328362"	300.061647	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"720783"	444.093347	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1471688"	156.029947	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1062746"	104.355723333333	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1266615"	321.096886	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"380815"	615.089958	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"742899"	903.153358	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1549338"	327.026558	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"304326"	308.048617	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"696747"	452.080317	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1449474"	164.016917	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"242449"	618.160626	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1216256"	330.097226	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1206704"	165.552251	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"196292"	621.09796	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"635854"	909.16136	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1138265"	333.03456	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"181189"	311.052618	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"622210"	455.084318	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1120979"	167.020918	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1403410"	111.683037333333	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1436984"	335.076146	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"231060"	316.08564	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1522399"	349.12819	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"423911"	319.039588	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"780901"	463.071288	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1676137"	175.007888	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"263384"	640.142568	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1235363"	352.079168	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1723155"	352.102693	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1190334"	119.010351333333	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1658403"	357.058088	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"171703"	653.04584	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"601543"	941.10924	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1090427"	364.98244	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"143599"	327.026558	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"587900"	471.058258	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1076785"	182.994858	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1111087"	366.996992	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1342005"	367.084607	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1010534"	371.123776	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1527567"	372.117408	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"991460"	186.065526	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1596176"	373.032028	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1418556"	403.063538	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1155405"	206.578801	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1700581"	420.090085	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1636233"	425.04548	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1574072"	441.01942	"C10083"	"2-O-Methylswertianin;18-Dihydroxy-26-dimethoxyxanthone"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"805535"	316.0583	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M"	0
"975786"	297.03991	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"76058"	209.698257333333	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"506145"	315.051024	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"879988"	104.345490666667	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"285"	315.051024	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"440985"	473.080174	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"819517"	157.021874	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"80604"	631.109324	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"520166"	947.167624	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"896996"	315.051024	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"47477"	648.135871	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"487438"	964.194171	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"868613"	332.077571	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"32382"	653.091266	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"476076"	969.149566	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"859345"	337.032966	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1628882"	337.032966	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"105410"	333.039363	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"546073"	491.068513	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"941409"	175.010213	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"275961"	667.086002	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"666195"	983.144302	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1287962"	351.027702	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"27720"	669.065206	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"465095"	985.123506	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"842897"	353.006906	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1558730"	353.006906	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"957186"	361.056494	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"374672"	677.114801	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"351994"	691.130451	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1503012"	375.072151	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"962898"	383.038451	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"116180"	351.027702	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"561209"	509.056852	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1027821"	192.998552	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1250681"	394.977185	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1312035"	397.033172	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1328440"	419.015129	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"926186"	429.043886	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1303013"	465.020564	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1380931"	281.045624	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1396967"	299.0556	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"295924"	633.123876	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"691283"	949.182176	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1366277"	317.065576	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"138678"	317.065576	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"576780"	475.094726	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1051412"	159.036426	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"217127"	211.712809333333	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"658511"	317.065576	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1169344"	106.360042666667	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"435896"	650.150423	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"794704"	966.208723	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1691034"	334.092123	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"341867"	325.5788495	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"736840"	483.6079995	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1488474"	167.5496995	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"408173"	655.105818	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"767062"	971.164118	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1613336"	339.047518	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"326650"	328.056547	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"720164"	486.085697	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1470705"	170.027397	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1060669"	113.687356666667	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1267819"	349.091786	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"380924"	671.079758	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"742644"	987.138058	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1546168"	355.021458	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"304436"	336.043517	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"696857"	494.072667	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1446667"	178.014367	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"243652"	674.150426	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1217456"	358.092126	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1198424"	179.549701	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"193116"	677.08776	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"635960"	993.14606	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1135821"	361.02946	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"178017"	339.047518	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"624872"	497.076668	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1122182"	181.018368	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1402792"	121.014670666667	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1437093"	363.071046	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"232261"	344.08054	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1517043"	377.12309	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"422195"	347.034488	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"783196"	505.063638	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1676246"	189.005338	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"260578"	696.132368	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1229641"	380.074068	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1723265"	380.097593	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1188621"	128.341984666667	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1655961"	385.052988	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"170839"	709.03564	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"599830"	1025.09394	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1090537"	392.97734	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"142126"	355.021458	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"586917"	513.050608	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1075802"	196.992308	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1106823"	394.991892	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1339929"	395.079507	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1009551"	399.118676	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1528771"	400.112308	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"991937"	200.062976	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1597379"	401.026928	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1418666"	431.058438	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1155515"	220.576251	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1700691"	448.084985	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1635250"	453.04038	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1573089"	469.01432	"C10084"	"Isorhamnetin;3-Methylquercetin;Quercetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"805645"	544.2461	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M"	0
"976260"	525.22771	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-H2O-H"	-19.01839
"76168"	361.823457333333	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M-3H"	-3.021828
"505891"	543.238824	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M-3H"	-3.021828
"880449"	180.408090666667	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-3H"	-3.021828
"804"	543.238824	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M-2H"	-2.014552
"440606"	815.361874	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M-2H"	-2.014552
"819626"	271.115774	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-2H"	-2.014552
"78886"	1087.484924	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M-H"	-1.007276
"521369"	1631.731024	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M-H"	-1.007276
"900263"	543.238824	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-H"	-1.007276
"47506"	1104.511471	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M-2H+NH4"	16.019271
"487512"	1648.757571	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M-2H+NH4"	16.019271
"864311"	560.265371	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-2H+NH4"	16.019271
"32611"	1109.466866	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M-2H+Na"	20.974666
"479462"	1653.712966	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M-2H+Na"	20.974666
"850706"	565.220766	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-2H+Na"	20.974666
"1618472"	565.220766	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Na-2H"	20.974666
"102240"	561.227163	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M-H+Cl"	33.962126
"548369"	833.350213	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M-H+Cl"	33.962126
"940788"	289.104113	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-H+Cl"	33.962126
"277165"	1123.461602	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+Cl"	34.969402
"666305"	1667.707702	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+Cl"	34.969402
"1287830"	579.215502	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Cl"	34.969402
"27830"	1125.440806	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M-2H+K"	36.948606
"469579"	1669.686906	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M-2H+K"	36.948606
"843007"	581.194706	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-2H+K"	36.948606
"1564307"	581.194706	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+K-2H"	36.948606
"954380"	589.244294	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-H+HCOOH"	44.998194
"374782"	1133.490401	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+HCOOH-H"	44.998201
"352104"	1147.506051	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+Hac-H"	59.013851
"1503122"	603.259951	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Hac-H"	59.013851
"963008"	611.226251	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-H+NaCOOH"	66.980151
"113008"	579.215502	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+2Cl"	69.938804
"555850"	851.338552	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+2Cl"	69.938804
"1030118"	307.092452	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2Cl"	69.938804
"1251886"	623.164985	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Br"	78.918885
"1312145"	625.220972	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Cl+HCOOH"	80.974872
"1329643"	647.202929	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Cl+NaCOOH"	102.956829
"924716"	657.231686	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M-H+CF3COOH"	112.985586
"1299598"	693.208364	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Cl+CF3COOH"	148.962264
"1381038"	509.233424	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H-2H2O"	-35.012676
"1396955"	527.2434	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H-H2O"	-17.0027
"293846"	1089.499476	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+H"	1.007276
"690523"	1633.745576	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+H"	1.007276
"1363713"	545.253376	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H"	1.007276
"135508"	545.253376	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+2H"	2.014552
"575067"	817.376426	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+2H"	2.014552
"1052257"	273.130326	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2H"	2.014552
"217238"	363.838009333333	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+3H"	3.021828
"658502"	545.253376	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+3H"	3.021828
"1172735"	182.422642666667	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+3H"	3.021828
"432725"	1106.526023	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+NH4"	18.033823
"793720"	1650.772123	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+NH4"	18.033823
"1693699"	562.279923	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+NH4"	18.033823
"341612"	553.7666495	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+H+NH4"	19.041099
"736588"	825.8896995	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+H+NH4"	19.041099
"1487855"	281.6435995	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H+NH4"	19.041099
"406904"	1111.481418	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+Na"	22.989218
"767173"	1655.727518	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+Na"	22.989218
"1614542"	567.235318	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Na"	22.989218
"325670"	556.244347	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+H+Na"	23.996494
"720887"	828.367397	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+H+Na"	23.996494
"1474097"	284.121297	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H+Na"	23.996494
"1062969"	189.749956666667	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2H+Na"	25.00377
"1267928"	577.279586	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+CH3OH+H"	33.033486
"383220"	1127.455358	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+K"	38.963158
"745307"	1671.701458	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+K"	38.963158
"1544090"	583.209258	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+K"	38.963158
"302358"	564.231317	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+H+K"	39.970434
"694780"	836.354367	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+H+K"	39.970434
"1448599"	292.108267	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H+K"	39.970434
"240482"	1130.526026	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+ACN+H"	42.033826
"1213193"	586.279926	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+ACN+H"	42.033826
"1200357"	293.643601	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+ACN+2H"	43.041102
"193226"	1133.46336	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+2Na-H"	44.97116
"633154"	1677.70946	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+2Na-H"	44.97116
"1140305"	589.21726	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2Na-H"	44.97116
"180315"	567.235318	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+2Na"	45.978436
"623525"	839.358368	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+2Na"	45.978436
"1123748"	295.112268	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2Na"	45.978436
"1410555"	197.077270666667	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H+2Na"	46.985712
"1437204"	591.258846	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H+HCOOH"	47.012746
"232371"	572.26834	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+3H2O+2H"	56.04448
"1520433"	605.31089	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+IsoProp+H"	61.06479
"423399"	575.222288	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+Na+K"	61.952376
"782212"	847.345338	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+Na+K"	61.952376
"1679637"	303.099238	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Na+K"	61.952376
"263968"	1152.507968	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+ACN+Na"	64.015768
"1233031"	608.261868	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+ACN+Na"	64.015768
"1723375"	608.285393	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+NH4+HCOOH"	64.039293
"1183992"	204.404584666667	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+3Na"	68.967654
"1656071"	613.240788	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Na+HCOOH"	68.994688
"172042"	1165.41124	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+2K-H"	76.91904
"599576"	1709.65734	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+2K-H"	76.91904
"1091741"	621.16514	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2K-H"	76.91904
"147465"	583.209258	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"2M+2K"	77.926316
"588120"	855.332308	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"3M+2K"	77.926316
"1075913"	311.086208	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2K"	77.926316
"1106934"	623.179692	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2K+H"	78.933592
"1340038"	623.267307	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+DMSO+H"	79.021207
"1010755"	627.306476	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2ACN+H"	83.060376
"1524625"	628.300108	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+IsoProp+Na+H"	84.054008
"996420"	314.156876	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+2ACN+2H"	84.067652
"1592019"	629.214728	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+K+HCOOH"	84.968628
"1419867"	659.246238	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+H+CF3COOH"	115.000138
"1150156"	334.670151	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+3ACN+2H"	125.094202
"1700801"	676.272785	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+NH4+CF3COOH"	132.026685
"1634630"	681.22818	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+Na+CF3COOH"	136.98208
"1574292"	697.20212	"C10085"	"Morellin"	"C33H36O7"	"544.2461"	"M+K+CF3COOH"	152.95602
"809035"	260.0321	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M"	0
"982567"	241.01371	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H2O-H"	-19.01839
"76278"	172.347457333333	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-3H"	-3.021828
"507094"	259.024824	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-3H"	-3.021828
"881004"	85.6700906666667	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-3H"	-3.021828
"1157"	259.024824	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H"	-2.014552
"440713"	389.040874	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H"	-2.014552
"819736"	129.008774	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H"	-2.014552
"80819"	519.056924	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-H"	-1.007276
"520506"	779.089024	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-H"	-1.007276
"897094"	259.024824	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H"	-1.007276
"48428"	536.083471	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+NH4"	16.019271
"489932"	796.115571	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+NH4"	16.019271
"864574"	276.051371	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+NH4"	16.019271
"32721"	541.038866	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+Na"	20.974666
"473012"	801.070966	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+Na"	20.974666
"848828"	281.006766	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+Na"	20.974666
"1622538"	281.006766	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na-2H"	20.974666
"94933"	277.013163	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-H+Cl"	33.962126
"541912"	407.029213	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-H+Cl"	33.962126
"929595"	146.997113	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+Cl"	33.962126
"275091"	555.033602	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Cl"	34.969402
"667511"	815.065702	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Cl"	34.969402
"1287571"	295.001502	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl"	34.969402
"25753"	557.012806	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+K"	36.948606
"468593"	817.044906	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+K"	36.948606
"839834"	296.980706	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+K"	36.948606
"1563321"	296.980706	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K-2H"	36.948606
"947928"	305.030294	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+HCOOH"	44.998194
"362862"	565.062401	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+HCOOH-H"	44.998201
"347839"	579.078051	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Hac-H"	59.013851
"1492781"	319.045951	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Hac-H"	59.013851
"958698"	327.012251	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+NaCOOH"	66.980151
"110355"	295.001502	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Cl"	69.938804
"550285"	425.017552	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Cl"	69.938804
"1025125"	164.985452	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Cl"	69.938804
"1242514"	338.950985	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Br"	78.918885
"1306055"	341.006972	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+HCOOH"	80.974872
"1328660"	362.988929	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+NaCOOH"	102.956829
"925915"	373.017686	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+CF3COOH"	112.985586
"1302988"	408.994364	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+CF3COOH"	148.962264
"1381148"	225.019424	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H-2H2O"	-35.012676
"1395363"	243.0294	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H-H2O"	-17.0027
"290676"	521.071476	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H"	1.007276
"684190"	781.103576	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H"	1.007276
"1360539"	261.039376	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H"	1.007276
"135617"	261.039376	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2H"	2.014552
"577364"	391.055426	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2H"	2.014552
"1050538"	131.023326	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2H"	2.014552
"215159"	174.362009333333	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+3H"	3.021828
"651440"	261.039376	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+3H"	3.021828
"1170657"	87.6846426666667	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3H"	3.021828
"432834"	538.098023	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+NH4"	18.033823
"796016"	798.130123	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+NH4"	18.033823
"1695629"	278.065923	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4"	18.033823
"342814"	269.5526495	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+NH4"	19.041099
"737790"	399.5686995	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+NH4"	19.041099
"1489788"	139.5365995	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+NH4"	19.041099
"406529"	543.053418	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Na"	22.989218
"768134"	803.085518	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Na"	22.989218
"1610279"	283.021318	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na"	22.989218
"325779"	272.030347	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+Na"	23.996494
"717107"	402.046397	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+Na"	23.996494
"1473112"	142.014297	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+Na"	23.996494
"1064172"	95.0119566666667	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2H+Na"	25.00377
"1266944"	293.065586	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+CH3OH+H"	33.033486
"382236"	559.027358	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+K"	38.963158
"745417"	819.059458	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+K"	38.963158
"1544200"	298.995258	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K"	38.963158
"302468"	280.017317	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+K"	39.970434
"697077"	410.033367	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+K"	39.970434
"1448709"	150.001267	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+K"	39.970434
"240592"	562.098026	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+ACN+H"	42.033826
"1213303"	302.065926	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+H"	42.033826
"1196459"	151.536601	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+2H"	43.041102
"197712"	565.03536	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Na-H"	44.97116
"641649"	825.06746	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Na-H"	44.97116
"1144061"	305.00326	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Na-H"	44.97116
"184071"	283.021318	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Na"	45.978436
"622543"	413.037368	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Na"	45.978436
"1126048"	153.005268	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Na"	45.978436
"1409572"	102.339270666667	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+2Na"	46.985712
"1439502"	307.044846	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+HCOOH"	47.012746
"232481"	288.05434	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+3H2O+2H"	56.04448
"1520543"	321.09689	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+IsoProp+H"	61.06479
"422782"	291.008288	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Na+K"	61.952376
"781229"	421.024338	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Na+K"	61.952376
"1672456"	160.992238	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+K"	61.952376
"259706"	584.079968	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+ACN+Na"	64.015768
"1229861"	324.047868	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+Na"	64.015768
"1720934"	324.071393	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4+HCOOH"	64.039293
"1185925"	109.666584666667	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3Na"	68.967654
"1656181"	329.026788	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+HCOOH"	68.994688
"169605"	596.98324	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2K-H"	76.91904
"601144"	857.01534	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2K-H"	76.91904
"1091851"	336.95114	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K-H"	76.91904
"149762"	298.995258	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2K"	77.926316
"587137"	429.011308	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2K"	77.926316
"1074930"	168.979208	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K"	77.926316
"1103765"	338.965692	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K+H"	78.933592
"1336017"	339.053307	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+DMSO+H"	79.021207
"1009772"	343.092476	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2ACN+H"	83.060376
"1525708"	344.086108	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+IsoProp+Na+H"	84.054008
"992157"	172.049876	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2ACN+2H"	84.067652
"1588849"	345.000728	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K+HCOOH"	84.968628
"1418884"	375.032238	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+CF3COOH"	115.000138
"1152452"	192.563151	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3ACN+2H"	125.094202
"1700911"	392.058785	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4+CF3COOH"	132.026685
"1635104"	397.01418	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+CF3COOH"	136.98208
"1573308"	412.98812	"C10086"	"Norathyriol;1367-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K+CF3COOH"	152.95602
"812425"	258.0528	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M"	0
"982677"	239.03441	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"72014"	171.027924	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"508297"	257.045524	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"880502"	85.010324	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"903"	257.045524	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"440946"	386.071924	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"817655"	128.019124	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"79834"	515.098324	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"522677"	773.151124	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"900483"	257.045524	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"49391"	532.124871	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"488341"	790.177671	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"864681"	274.072071	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"32831"	537.080266	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"475310"	795.133066	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"851044"	279.027466	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1622647"	279.027466	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"95894"	275.033863	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"536190"	404.060263	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"927554"	146.007463	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"276294"	551.075002	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"669806"	809.127802	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1286588"	293.022202	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"22582"	553.054206	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"466516"	811.107006	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"842130"	295.001406	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1563430"	295.001406	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"948037"	303.050994	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"367344"	561.103801	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"349041"	575.119451	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1492966"	317.066651	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"959087"	325.032951	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"110911"	293.022202	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"550235"	422.048602	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1025963"	163.995802	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1242012"	336.971685	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1304580"	339.027672	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1332050"	361.009629	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"924202"	371.038386	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1303099"	407.015064	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1381258"	223.040124	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1396566"	241.0501	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"290786"	517.112876	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"685394"	775.165676	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1357369"	259.060076	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"133538"	259.060076	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"576380"	388.086476	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1048460"	130.033676	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"215268"	173.042476	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"658110"	259.060076	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1169674"	87.024876	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"435130"	534.139423	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"795033"	792.192223	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1692458"	276.086623	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"341829"	267.5733495	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"736804"	396.5997495	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1491354"	138.5469495	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"405666"	539.094818	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"760104"	797.147618	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1607105"	281.042018	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"320421"	270.051047	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"709926"	399.077447	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1464474"	141.024647	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1058813"	94.35219	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1265958"	291.086286	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"380159"	555.068758	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"740424"	813.121558	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1545403"	297.015958	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"303672"	278.038017	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"696093"	407.064417	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1451005"	149.011617	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"238515"	558.139426	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1213773"	300.086626	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1200578"	150.546951	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"190532"	561.07676	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"637384"	819.12956	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1138338"	303.02396	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"180900"	281.042018	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"625448"	410.068418	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1126159"	152.015618	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1405309"	101.679504	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1438518"	305.065546	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"231498"	286.07504	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1513363"	319.11759	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"418152"	289.028988	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"780244"	418.055388	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1674388"	160.002588	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"260910"	580.121368	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1232158"	322.068568	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1721044"	322.092093	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1186035"	109.006818	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1656291"	327.047488	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"165702"	593.02464	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"600889"	851.07744	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1090867"	334.97184	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"146592"	297.015958	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"587247"	426.042358	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1072852"	167.989558	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1106060"	336.986392	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1337099"	337.074007	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1008788"	341.113176	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1525694"	342.106808	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"992268"	171.060226	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1588959"	343.021428	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1418995"	373.052938	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1149284"	191.573501	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1698834"	390.079485	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1634240"	395.03488	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1571596"	411.00882	"C10087"	"Norlichexanthone;136-Trihydroxy-8-methyl-9H-xanthen-9-one"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"809255"	260.0321	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M"	0
"982787"	241.01371	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H2O-H"	-19.01839
"68844"	172.347457333333	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-3H"	-3.021828
"506221"	259.024824	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-3H"	-3.021828
"881833"	85.6700906666667	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-3H"	-3.021828
"2229"	259.024824	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H"	-2.014552
"442517"	389.040874	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H"	-2.014552
"819956"	129.008774	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H"	-2.014552
"85415"	519.056924	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-H"	-1.007276
"520604"	779.089024	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-H"	-1.007276
"897313"	259.024824	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H"	-1.007276
"48650"	536.083471	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+NH4"	16.019271
"488815"	796.115571	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+NH4"	16.019271
"865522"	276.051371	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+NH4"	16.019271
"32938"	541.038866	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+Na"	20.974666
"472376"	801.070966	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+Na"	20.974666
"850060"	281.006766	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+Na"	20.974666
"1619963"	281.006766	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na-2H"	20.974666
"95392"	277.013163	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-H+Cl"	33.962126
"535814"	407.029213	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-H+Cl"	33.962126
"927745"	146.997113	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+Cl"	33.962126
"277497"	555.033602	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Cl"	34.969402
"667730"	815.065702	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Cl"	34.969402
"1285604"	295.001502	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl"	34.969402
"23786"	557.012806	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M-2H+K"	36.948606
"465533"	817.044906	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M-2H+K"	36.948606
"840054"	296.980706	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-2H+K"	36.948606
"1561354"	296.980706	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K-2H"	36.948606
"949240"	305.030294	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+HCOOH"	44.998194
"364174"	565.062401	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+HCOOH-H"	44.998201
"349151"	579.078051	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Hac-H"	59.013851
"1492876"	319.045951	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Hac-H"	59.013851
"959438"	327.012251	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+NaCOOH"	66.980151
"110777"	295.001502	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Cl"	69.938804
"550460"	425.017552	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Cl"	69.938804
"1026073"	164.985452	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Cl"	69.938804
"1241472"	338.950985	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Br"	78.918885
"1304444"	341.006972	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+HCOOH"	80.974872
"1327785"	362.988929	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+NaCOOH"	102.956829
"924312"	373.017686	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M-H+CF3COOH"	112.985586
"1299926"	408.994364	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Cl+CF3COOH"	148.962264
"1378087"	225.019424	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H-2H2O"	-35.012676
"1396312"	243.0294	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H-H2O"	-17.0027
"290896"	521.071476	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H"	1.007276
"686597"	781.103576	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H"	1.007276
"1357479"	261.039376	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H"	1.007276
"131461"	261.039376	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2H"	2.014552
"575395"	391.055426	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2H"	2.014552
"1049662"	131.023326	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2H"	2.014552
"213191"	174.362009333333	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+3H"	3.021828
"657127"	261.039376	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+3H"	3.021828
"1171970"	87.6846426666667	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3H"	3.021828
"433056"	538.098023	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+NH4"	18.033823
"795143"	798.130123	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+NH4"	18.033823
"1694754"	278.065923	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4"	18.033823
"343032"	269.5526495	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+NH4"	19.041099
"738130"	399.5686995	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+NH4"	19.041099
"1489277"	139.5365995	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+NH4"	19.041099
"404683"	543.053418	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Na"	22.989218
"760214"	803.085518	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Na"	22.989218
"1606122"	283.021318	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na"	22.989218
"322718"	272.030347	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+Na"	23.996494
"712954"	402.046397	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+Na"	23.996494
"1464949"	142.014297	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+Na"	23.996494
"1060017"	95.0119566666667	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2H+Na"	25.00377
"1262789"	293.065586	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+CH3OH+H"	33.033486
"377474"	559.027358	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+K"	38.963158
"741264"	819.059458	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+K"	38.963158
"1546605"	298.995258	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K"	38.963158
"304874"	280.017317	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+H+K"	39.970434
"698389"	410.033367	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+H+K"	39.970434
"1451115"	150.001267	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+K"	39.970434
"238625"	562.098026	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+ACN+H"	42.033826
"1213519"	302.065926	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+H"	42.033826
"1200688"	151.536601	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+2H"	43.041102
"189670"	565.03536	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Na-H"	44.97116
"637494"	825.06746	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Na-H"	44.97116
"1138814"	305.00326	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Na-H"	44.97116
"181011"	283.021318	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2Na"	45.978436
"622763"	413.037368	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2Na"	45.978436
"1122989"	153.005268	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2Na"	45.978436
"1404325"	102.339270666667	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+2Na"	46.985712
"1438628"	307.044846	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+HCOOH"	47.012746
"231608"	288.05434	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+3H2O+2H"	56.04448
"1518576"	321.09689	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+IsoProp+H"	61.06479
"419356"	291.008288	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+Na+K"	61.952376
"781449"	421.024338	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+Na+K"	61.952376
"1672312"	160.992238	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+K"	61.952376
"258103"	584.079968	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+ACN+Na"	64.015768
"1233728"	324.047868	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+ACN+Na"	64.015768
"1723706"	324.071393	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4+HCOOH"	64.039293
"1186145"	109.666584666667	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3Na"	68.967654
"1656401"	329.026788	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+HCOOH"	68.994688
"169093"	596.98324	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2K-H"	76.91904
"601000"	857.01534	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2K-H"	76.91904
"1092071"	336.95114	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K-H"	76.91904
"149982"	298.995258	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"2M+2K"	77.926316
"590638"	429.011308	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"3M+2K"	77.926316
"1072963"	168.979208	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K"	77.926316
"1106172"	338.965692	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2K+H"	78.933592
"1341462"	339.053307	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+DMSO+H"	79.021207
"1012180"	343.092476	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2ACN+H"	83.060376
"1525078"	344.086108	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+IsoProp+Na+H"	84.054008
"996752"	172.049876	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+2ACN+2H"	84.067652
"1589069"	345.000728	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K+HCOOH"	84.968628
"1414521"	375.032238	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+H+CF3COOH"	115.000138
"1153765"	192.563151	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+3ACN+2H"	125.094202
"1698942"	392.058785	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+NH4+CF3COOH"	132.026685
"1637878"	397.01418	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+Na+CF3COOH"	136.98208
"1571382"	412.98812	"C10088"	"Norswertianin;1268-Tetrahydroxyxanthone"	"C13H8O6"	"260.0321"	"M+K+CF3COOH"	152.95602
"815926"	422.0849	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M"	0
"980709"	403.06651	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-H2O-H"	-19.01839
"78426"	280.382657333333	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M-3H"	-3.021828
"506331"	421.077624	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M-3H"	-3.021828
"884130"	139.687690666667	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-3H"	-3.021828
"3069"	421.077624	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M-2H"	-2.014552
"444448"	632.120074	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M-2H"	-2.014552
"821159"	210.035174	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-2H"	-2.014552
"83338"	843.162524	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M-H"	-1.007276
"523994"	1265.247424	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M-H"	-1.007276
"901796"	421.077624	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-H"	-1.007276
"50704"	860.189071	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M-2H+NH4"	16.019271
"490264"	1282.273971	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M-2H+NH4"	16.019271
"865030"	438.104171	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-2H+NH4"	16.019271
"35968"	865.144466	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M-2H+Na"	20.974666
"472490"	1287.229366	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M-2H+Na"	20.974666
"852237"	443.059566	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-2H+Na"	20.974666
"1619709"	443.059566	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Na-2H"	20.974666
"95016"	439.065963	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M-H+Cl"	33.962126
"538962"	650.108413	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M-H+Cl"	33.962126
"927368"	228.023513	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-H+Cl"	33.962126
"279794"	879.139202	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+Cl"	34.969402
"667840"	1301.224102	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+Cl"	34.969402
"1286443"	457.054302	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Cl"	34.969402
"29363"	881.118406	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M-2H+K"	36.948606
"466736"	1303.203306	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M-2H+K"	36.948606
"844537"	459.033506	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-2H+K"	36.948606
"1563650"	459.033506	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+K-2H"	36.948606
"953723"	467.083094	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-H+HCOOH"	44.998194
"364284"	889.168001	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+HCOOH-H"	44.998201
"349261"	903.183651	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+Hac-H"	59.013851
"1493221"	481.098751	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Hac-H"	59.013851
"959306"	489.065051	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-H+NaCOOH"	66.980151
"110766"	457.054302	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+2Cl"	69.938804
"550935"	668.096752	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+2Cl"	69.938804
"1026183"	246.011852	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2Cl"	69.938804
"1241991"	501.003785	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Br"	78.918885
"1304475"	503.059772	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Cl+HCOOH"	80.974872
"1330082"	525.041729	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Cl+NaCOOH"	102.956829
"922234"	535.070486	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M-H+CF3COOH"	112.985586
"1300036"	571.047164	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Cl+CF3COOH"	148.962264
"1377103"	387.072224	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H-2H2O"	-35.012676
"1397031"	405.0822	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H-H2O"	-17.0027
"294286"	845.177076	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+H"	1.007276
"686707"	1267.261976	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+H"	1.007276
"1357589"	423.092176	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H"	1.007276
"135944"	423.092176	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+2H"	2.014552
"577692"	634.134626	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+2H"	2.014552
"1050501"	212.049726	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2H"	2.014552
"216579"	282.397209333333	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+3H"	3.021828
"658330"	423.092176	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+3H"	3.021828
"1174267"	141.702242666667	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+3H"	3.021828
"436446"	862.203623	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+NH4"	18.033823
"797440"	1284.288523	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+NH4"	18.033823
"1695596"	440.118723	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+NH4"	18.033823
"344236"	431.6054495	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+H+NH4"	19.041099
"736658"	642.6478995	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+H+NH4"	19.041099
"1491211"	220.5629995	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H+NH4"	19.041099
"404795"	867.159018	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+Na"	22.989218
"759230"	1289.243918	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+Na"	22.989218
"1606232"	445.074118	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Na"	22.989218
"321736"	434.083147	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+H+Na"	23.996494
"713065"	645.125597	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+H+Na"	23.996494
"1467975"	223.040697	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H+Na"	23.996494
"1059038"	149.029556666667	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2H+Na"	25.00377
"1265087"	455.118386	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+CH3OH+H"	33.033486
"378920"	883.132958	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+K"	38.963158
"742467"	1305.217858	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+K"	38.963158
"1545622"	461.048058	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+K"	38.963158
"304984"	442.070117	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+H+K"	39.970434
"698499"	653.112567	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+H+K"	39.970434
"1450132"	231.027667	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H+K"	39.970434
"242015"	886.203626	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+ACN+H"	42.033826
"1212536"	464.118726	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+ACN+H"	42.033826
"1199705"	232.563001	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+ACN+2H"	43.041102
"189900"	889.14096	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+2Na-H"	44.97116
"634323"	1311.22586	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+2Na-H"	44.97116
"1141111"	467.05606	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2Na-H"	44.97116
"180027"	445.074118	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+2Na"	45.978436
"620680"	656.116568	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+2Na"	45.978436
"1121998"	234.031668	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2Na"	45.978436
"1406621"	156.356870666667	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H+2Na"	46.985712
"1438738"	469.097646	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H+HCOOH"	47.012746
"229528"	450.10714	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+3H2O+2H"	56.04448
"1516498"	483.14969	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+IsoProp+H"	61.06479
"416183"	453.061088	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+Na+K"	61.952376
"777177"	664.103538	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+Na+K"	61.952376
"1675698"	242.018638	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Na+K"	61.952376
"264408"	908.185568	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+ACN+Na"	64.015768
"1237117"	486.100668	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+ACN+Na"	64.015768
"1722721"	486.124193	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+NH4+HCOOH"	64.039293
"1185889"	163.684184666667	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+3Na"	68.967654
"1657969"	491.079588	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Na+HCOOH"	68.994688
"163735"	921.08884	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+2K-H"	76.91904
"604389"	1343.17374	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+2K-H"	76.91904
"1092180"	499.00394	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2K-H"	76.91904
"146812"	461.048058	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"2M+2K"	77.926316
"590748"	672.090508	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"3M+2K"	77.926316
"1075260"	250.005608	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2K"	77.926316
"1106282"	501.018492	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2K+H"	78.933592
"1340479"	501.106107	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+DMSO+H"	79.021207
"1012290"	505.145276	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2ACN+H"	83.060376
"1527133"	506.138908	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+IsoProp+Na+H"	84.054008
"994676"	253.076276	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+2ACN+2H"	84.067652
"1591366"	507.053528	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+K+HCOOH"	84.968628
"1415932"	537.085038	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+H+CF3COOH"	115.000138
"1152783"	273.589551	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+3ACN+2H"	125.094202
"1699054"	554.111585	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+NH4+CF3COOH"	132.026685
"1637988"	559.06698	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+Na+CF3COOH"	136.98208
"1571816"	575.04092	"C10089"	"Norswertianolin"	"C19H18O11"	"422.0849"	"M+K+CF3COOH"	152.95602
"812759"	340.0947	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M"	0
"983010"	321.07631	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-H2O-H"	-19.01839
"75626"	225.722524	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M-3H"	-3.021828
"505712"	339.087424	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M-3H"	-3.021828
"882054"	112.357624	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-3H"	-3.021828
"2818"	339.087424	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M-2H"	-2.014552
"442379"	509.134774	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M-2H"	-2.014552
"817627"	169.040074	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-2H"	-2.014552
"79444"	679.182124	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M-H"	-1.007276
"520091"	1019.276824	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M-H"	-1.007276
"896190"	339.087424	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-H"	-1.007276
"47527"	696.208671	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M-2H+NH4"	16.019271
"487329"	1036.303371	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M-2H+NH4"	16.019271
"864650"	356.113971	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-2H+NH4"	16.019271
"31948"	701.164066	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M-2H+Na"	20.974666
"472361"	1041.258766	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M-2H+Na"	20.974666
"854539"	361.069366	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-2H+Na"	20.974666
"1621886"	361.069366	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Na-2H"	20.974666
"94346"	357.075763	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M-H+Cl"	33.962126
"549901"	527.123113	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M-H+Cl"	33.962126
"940247"	187.028413	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-H+Cl"	33.962126
"274436"	715.158802	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+Cl"	34.969402
"674149"	1055.253502	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+Cl"	34.969402
"1287774"	375.064102	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Cl"	34.969402
"29473"	717.138006	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M-2H+K"	36.948606
"471307"	1057.232706	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M-2H+K"	36.948606
"848421"	377.043306	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-2H+K"	36.948606
"1568137"	377.043306	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+K-2H"	36.948606
"950553"	385.092894	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-H+HCOOH"	44.998194
"364393"	725.187601	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+HCOOH-H"	44.998201
"349371"	739.203251	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+Hac-H"	59.013851
"1496016"	399.108551	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Hac-H"	59.013851
"961369"	407.074851	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-H+NaCOOH"	66.980151
"117932"	375.064102	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+2Cl"	69.938804
"561502"	545.111452	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+2Cl"	69.938804
"1035041"	205.016752	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2Cl"	69.938804
"1243684"	419.013585	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Br"	78.918885
"1313786"	421.069572	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Cl+HCOOH"	80.974872
"1329097"	443.051529	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Cl+NaCOOH"	102.956829
"922344"	453.080286	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M-H+CF3COOH"	112.985586
"1297958"	489.056964	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Cl+CF3COOH"	148.962264
"1377213"	305.082024	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H-2H2O"	-35.012676
"1395804"	323.092	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H-H2O"	-17.0027
"295491"	681.196676	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+H"	1.007276
"687912"	1021.291376	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+H"	1.007276
"1358792"	341.101976	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H"	1.007276
"138972"	341.101976	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+2H"	2.014552
"576710"	511.149326	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+2H"	2.014552
"1047696"	171.054626	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2H"	2.014552
"218514"	227.737076	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+3H"	3.021828
"656251"	341.101976	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+3H"	3.021828
"1174377"	114.372176	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+3H"	3.021828
"433276"	698.223223	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+NH4"	18.033823
"795366"	1038.317923	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+NH4"	18.033823
"1694249"	358.128523	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+NH4"	18.033823
"345405"	349.6152495	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+H+NH4"	19.041099
"733491"	519.6625995	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+H+NH4"	19.041099
"1488403"	179.5678995	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H+NH4"	19.041099
"404905"	703.178618	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+Na"	22.989218
"762618"	1043.273318	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+Na"	22.989218
"1612902"	363.083918	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Na"	22.989218
"325127"	352.092947	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+H+Na"	23.996494
"713176"	522.140297	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+H+Na"	23.996494
"1469183"	182.045597	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H+Na"	23.996494
"1064613"	121.69949	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2H+Na"	25.00377
"1260823"	373.128186	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+CH3OH+H"	33.033486
"379032"	719.152558	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+K"	38.963158
"739302"	1059.247258	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+K"	38.963158
"1541355"	379.057858	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+K"	38.963158
"299094"	360.079917	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+H+K"	39.970434
"696423"	530.127267	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+H+K"	39.970434
"1450242"	190.032567	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H+K"	39.970434
"242125"	722.223226	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+ACN+H"	42.033826
"1212648"	382.128526	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+ACN+H"	42.033826
"1197628"	191.567901	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+ACN+2H"	43.041102
"192317"	725.16056	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+2Na-H"	44.97116
"636619"	1065.25526	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+2Na-H"	44.97116
"1141219"	385.06586	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2Na-H"	44.97116
"178313"	363.083918	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+2Na"	45.978436
"622979"	533.131268	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+2Na"	45.978436
"1127580"	193.036568	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2Na"	45.978436
"1407824"	129.026804	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H+2Na"	46.985712
"1439941"	387.107446	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H+HCOOH"	47.012746
"224173"	368.11694	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+3H2O+2H"	56.04448
"1516609"	401.15949	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+IsoProp+H"	61.06479
"417389"	371.070888	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+Na+K"	61.952376
"781669"	541.118238	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+Na+K"	61.952376
"1673627"	201.023538	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Na+K"	61.952376
"261240"	744.205168	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+ACN+Na"	64.015768
"1232856"	404.110468	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+ACN+Na"	64.015768
"1722835"	404.133993	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+NH4+HCOOH"	64.039293
"1187091"	136.354118	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+3Na"	68.967654
"1661358"	409.089388	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Na+HCOOH"	68.994688
"167126"	757.10844	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+2K-H"	76.91904
"604501"	1097.20314	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+2K-H"	76.91904
"1089015"	417.01374	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2K-H"	76.91904
"149112"	379.057858	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"2M+2K"	77.926316
"589762"	549.105208	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"3M+2K"	77.926316
"1073183"	209.010508	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2K"	77.926316
"1107485"	419.028292	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2K+H"	78.933592
"1337063"	419.115907	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+DMSO+H"	79.021207
"1007052"	423.155076	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2ACN+H"	83.060376
"1524933"	424.148708	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+IsoProp+Na+H"	84.054008
"991017"	212.081176	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+2ACN+2H"	84.067652
"1590386"	425.063328	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+K+HCOOH"	84.968628
"1417139"	455.094838	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+H+CF3COOH"	115.000138
"1150707"	232.594451	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+3ACN+2H"	125.094202
"1706822"	472.121385	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+NH4+CF3COOH"	132.026685
"1638098"	477.07678	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+Na+CF3COOH"	136.98208
"1573748"	493.05072	"C10090"	"Psorospermin"	"C19H16O6"	"340.0947"	"M+K+CF3COOH"	152.95602
"812865"	288.0634	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M"	0
"976556"	269.04501	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"70268"	191.034990666667	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"505458"	287.056124	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"881071"	95.0138573333333	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"2928"	287.056124	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"441394"	431.087824	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"818345"	143.024424	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"78627"	575.119524	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"519716"	863.182924	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"895937"	287.056124	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"47312"	592.146071	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"487559"	880.209471	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"864470"	304.082671	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"32300"	597.101466	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"471984"	885.164866	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"854649"	309.038066	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1620903"	309.038066	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"94878"	305.044463	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"546841"	449.076163	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"941086"	161.012763	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"274546"	611.096202	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"664050"	899.159602	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1287026"	323.032802	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"29952"	613.075406	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"469143"	901.138806	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"848284"	325.012006	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1567152"	325.012006	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"949571"	333.061594	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"366691"	621.125001	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"354949"	635.140651	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1500500"	347.077251	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"962574"	355.043551	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"121323"	323.032802	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"558696"	467.064502	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1034058"	179.001102	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1244887"	366.982285	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1312803"	369.038272	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1325927"	391.020229	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"923550"	401.048986	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1294789"	437.025664	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1376231"	253.050724	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1390446"	271.0607	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"294509"	577.134076	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"688022"	865.197476	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1366195"	289.070676	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"136166"	289.070676	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"573540"	433.102376	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1048900"	145.038976	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"215708"	193.049542666667	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"653081"	289.070676	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1171206"	97.0284093333333	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"434482"	594.160623	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"794383"	882.224023	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1692536"	306.097223	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"344827"	297.5839495	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"733601"	441.6156495	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1488513"	153.5522495	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"403919"	599.116018	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"762728"	887.179418	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1614106"	311.052618	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"324141"	300.061647	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"717657"	444.093347	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1469290"	156.029947	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1054880"	104.355723333333	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1257530"	321.096886	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"377925"	615.089958	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"739778"	903.153358	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1539960"	327.026558	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"300105"	308.048617	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"692645"	452.080317	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1445894"	164.016917	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"237497"	618.160626	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1211786"	330.097226	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1197738"	165.552251	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"189632"	621.09796	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"635636"	909.16136	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1143516"	333.03456	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"179153"	311.052618	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"624181"	455.084318	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1122220"	167.020918	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1406837"	111.683037333333	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1438958"	335.076146	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"229751"	316.08564	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1519999"	349.12819	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"416406"	319.039588	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"783966"	463.071288	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1675923"	175.007888	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"259162"	640.142568	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1232962"	352.079168	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1720755"	352.102693	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1186109"	119.010351333333	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1653450"	357.058088	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"163955"	653.04584	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"603516"	941.10924	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1092401"	364.98244	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"147032"	327.026558	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"587686"	471.058258	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1071106"	182.994858	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1100422"	366.996992	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1337413"	367.084607	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1006311"	371.123776	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1524202"	372.117408	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"990276"	186.065526	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1589403"	373.032028	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1416156"	403.063538	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1149724"	206.578801	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1706932"	420.090085	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1638208"	425.04548	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1573493"	441.01942	"C10091"	"Swerchirin;5-O-Methylbellidifolin;35-Dimethoxy-18-dihydroxyxanthone"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"812975"	274.0477	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M"	0
"976666"	255.02931	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-H2O-H"	-19.01839
"70378"	181.691190666667	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M-3H"	-3.021828
"512129"	273.040424	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M-3H"	-3.021828
"882639"	90.3419573333333	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-3H"	-3.021828
"1945"	273.040424	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H"	-2.014552
"442228"	410.064274	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H"	-2.014552
"818577"	136.016574	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-2H"	-2.014552
"79416"	547.088124	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M-H"	-1.007276
"519339"	821.135824	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M-H"	-1.007276
"896652"	273.040424	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-H"	-1.007276
"48108"	564.114671	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+NH4"	16.019271
"487791"	838.162371	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+NH4"	16.019271
"864988"	290.066971	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+NH4"	16.019271
"32289"	569.070066	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+Na"	20.974666
"471972"	843.117766	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+Na"	20.974666
"852572"	295.022366	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+Na"	20.974666
"1624292"	295.022366	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Na-2H"	20.974666
"95719"	291.028763	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M-H+Cl"	33.962126
"538562"	428.052613	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M-H+Cl"	33.962126
"927699"	154.004913	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-H+Cl"	33.962126
"279030"	583.064802	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+Cl"	34.969402
"669261"	857.112502	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+Cl"	34.969402
"1287500"	309.017102	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl"	34.969402
"29942"	585.044006	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M-2H+K"	36.948606
"470346"	859.091706	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M-2H+K"	36.948606
"847667"	310.996306	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-2H+K"	36.948606
"1569448"	310.996306	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+K-2H"	36.948606
"955878"	319.045894	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-H+HCOOH"	44.998194
"371176"	593.093601	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+HCOOH-H"	44.998201
"356154"	607.109251	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+Hac-H"	59.013851
"1504985"	333.061551	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Hac-H"	59.013851
"968152"	341.027851	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-H+NaCOOH"	66.980151
"123256"	309.017102	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Cl"	69.938804
"558806"	446.040952	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Cl"	69.938804
"1034168"	171.993252	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2Cl"	69.938804
"1246090"	352.966585	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Br"	78.918885
"1311820"	355.022572	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+HCOOH"	80.974872
"1328224"	377.004529	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+NaCOOH"	102.956829
"919286"	387.033286	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M-H+CF3COOH"	112.985586
"1298180"	423.009964	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Cl+CF3COOH"	148.962264
"1374153"	239.035024	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H-2H2O"	-35.012676
"1387275"	257.045	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H-H2O"	-17.0027
"293523"	549.102676	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+H"	1.007276
"687039"	823.150376	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+H"	1.007276
"1362294"	275.054976	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H"	1.007276
"132994"	275.054976	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+2H"	2.014552
"575836"	412.078826	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+2H"	2.014552
"1051196"	138.031126	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2H"	2.014552
"216911"	183.705742666667	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H"	3.021828
"652098"	275.054976	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+3H"	3.021828
"1170222"	92.3565093333333	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+3H"	3.021828
"436778"	566.129223	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+NH4"	18.033823
"796679"	840.176923	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+NH4"	18.033823
"1694103"	292.081523	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4"	18.033823
"341287"	283.5682495	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+NH4"	19.041099
"735897"	420.5920995	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+NH4"	19.041099
"1486436"	146.5443995	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H+NH4"	19.041099
"405122"	571.084618	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na"	22.989218
"762837"	845.132318	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na"	22.989218
"1614214"	297.036918	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Na"	22.989218
"323157"	286.045947	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+Na"	23.996494
"719952"	423.069797	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+Na"	23.996494
"1466119"	149.022097	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H+Na"	23.996494
"1057177"	99.6838233333333	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2H+Na"	25.00377
"1259220"	307.081186	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+CH3OH+H"	33.033486
"378522"	587.058558	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+K"	38.963158
"741347"	861.106258	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+K"	38.963158
"1540356"	313.010858	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+K"	38.963158
"300943"	294.032917	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+H+K"	39.970434
"692024"	431.056767	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+H+K"	39.970434
"1446325"	157.009067	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H+K"	39.970434
"236144"	590.129226	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+H"	42.033826
"1212139"	316.081526	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+H"	42.033826
"1195292"	158.544401	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+2H"	43.041102
"190353"	593.06656	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na-H"	44.97116
"633560"	867.11426	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na-H"	44.97116
"1139253"	319.01886	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na-H"	44.97116
"181449"	297.036918	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+2Na"	45.978436
"622104"	434.060768	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+2Na"	45.978436
"1126703"	160.013068	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2Na"	45.978436
"1410227"	107.011137333333	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H+2Na"	46.985712
"1441253"	321.060446	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H+HCOOH"	47.012746
"229861"	302.06994	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+3H2O+2H"	56.04448
"1519016"	335.11249	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+H"	61.06479
"415422"	305.023888	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+Na+K"	61.952376
"773869"	442.047738	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+Na+K"	61.952376
"1671659"	168.000038	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+K"	61.952376
"258178"	612.111168	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+ACN+Na"	64.015768
"1229063"	338.063468	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+ACN+Na"	64.015768
"1712967"	338.086993	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+HCOOH"	64.039293
"1179004"	114.338451333333	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+3Na"	68.967654
"1650356"	343.042388	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+HCOOH"	68.994688
"167344"	625.01444	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K-H"	76.91904
"604717"	899.06214	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K-H"	76.91904
"1089230"	350.96674	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2K-H"	76.91904
"143251"	313.010858	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"2M+2K"	77.926316
"582205"	450.034708	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"3M+2K"	77.926316
"1078867"	175.987008	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2K"	77.926316
"1105514"	352.981292	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2K+H"	78.933592
"1338981"	353.068907	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+DMSO+H"	79.021207
"1006417"	357.108076	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+H"	83.060376
"1525398"	358.101708	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+IsoProp+Na+H"	84.054008
"991726"	179.057676	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+2ACN+2H"	84.067652
"1589513"	359.016328	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+K+HCOOH"	84.968628
"1417359"	389.047838	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+H+CF3COOH"	115.000138
"1151291"	199.570951	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+3ACN+2H"	125.094202
"1707042"	406.074385	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+NH4+CF3COOH"	132.026685
"1639411"	411.02978	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+Na+CF3COOH"	136.98208
"1572510"	427.00372	"C10092"	"Swertianin;128-Trihydroxy-6-methoxyxanthone"	"C14H10O6"	"274.0477"	"M+K+CF3COOH"	152.95602
"816003"	436.1006	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M"	0
"989171"	417.08221	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-H2O-H"	-19.01839
"78023"	289.726457333333	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M-3H"	-3.021828
"511146"	435.093324	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M-3H"	-3.021828
"888945"	144.359590666667	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-3H"	-3.021828
"3148"	435.093324	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M-2H"	-2.014552
"444893"	653.143624	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M-2H"	-2.014552
"821603"	217.043024	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-2H"	-2.014552
"80864"	871.193924	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M-H"	-1.007276
"519452"	1307.294524	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M-H"	-1.007276
"896521"	435.093324	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-H"	-1.007276
"49201"	888.220471	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M-2H+NH4"	16.019271
"488028"	1324.321071	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M-2H+NH4"	16.019271
"866684"	452.119871	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-2H+NH4"	16.019271
"34223"	893.175866	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M-2H+Na"	20.974666
"473784"	1329.276466	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M-2H+Na"	20.974666
"859243"	457.075266	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-2H+Na"	20.974666
"1626591"	457.075266	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Na-2H"	20.974666
"96193"	453.081663	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M-H+Cl"	33.962126
"537579"	671.131963	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M-H+Cl"	33.962126
"928051"	235.031363	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-H+Cl"	33.962126
"278046"	907.170602	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+Cl"	34.969402
"670465"	1343.271202	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+Cl"	34.969402
"1285058"	471.070002	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Cl"	34.969402
"29444"	909.149806	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M-2H+K"	36.948606
"469363"	1345.250406	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M-2H+K"	36.948606
"847044"	473.049206	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-2H+K"	36.948606
"1568465"	473.049206	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+K-2H"	36.948606
"955259"	481.098794	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-H+HCOOH"	44.998194
"372379"	917.199401	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+HCOOH-H"	44.998201
"356993"	931.215051	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+Hac-H"	59.013851
"1502908"	495.114451	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Hac-H"	59.013851
"968262"	503.080751	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-H+NaCOOH"	66.980151
"120450"	471.070002	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+2Cl"	69.938804
"558916"	689.120302	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+2Cl"	69.938804
"1032091"	253.019702	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2Cl"	69.938804
"1246200"	515.019485	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Br"	78.918885
"1311930"	517.075472	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Cl+HCOOH"	80.974872
"1331614"	539.057429	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Cl+NaCOOH"	102.956829
"919396"	549.086186	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M-H+CF3COOH"	112.985586
"1297197"	585.062864	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Cl+CF3COOH"	148.962264
"1374264"	401.087924	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H-2H2O"	-35.012676
"1390666"	419.0979	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H-H2O"	-17.0027
"293633"	873.208476	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+H"	1.007276
"689338"	1309.309076	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+H"	1.007276
"1362405"	437.107876	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H"	1.007276
"139666"	437.107876	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+2H"	2.014552
"579226"	655.158176	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+2H"	2.014552
"1051306"	219.057576	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2H"	2.014552
"214834"	291.741009333333	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+3H"	3.021828
"656948"	437.107876	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+3H"	3.021828
"1175802"	146.374142666667	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+3H"	3.021828
"437617"	890.235023	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+NH4"	18.033823
"797882"	1326.335623	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+NH4"	18.033823
"1694214"	454.134423	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+NH4"	18.033823
"344315"	445.6211495	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+H+NH4"	19.041099
"732726"	663.6714495	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+H+NH4"	19.041099
"1491285"	227.5708495	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H+NH4"	19.041099
"407665"	895.190418	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+Na"	22.989218
"762948"	1331.291018	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+Na"	22.989218
"1613233"	459.089818	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Na"	22.989218
"322175"	448.098847	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+H+Na"	23.996494
"717876"	666.149147	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+H+Na"	23.996494
"1469509"	230.048547	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H+Na"	23.996494
"1059474"	153.701456666667	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2H+Na"	25.00377
"1262245"	469.134086	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+CH3OH+H"	33.033486
"377296"	911.164358	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+K"	38.963158
"741822"	1347.264958	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+K"	38.963158
"1542782"	475.063758	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+K"	38.963158
"299350"	456.085817	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+H+K"	39.970434
"695657"	674.136117	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+H+K"	39.970434
"1447048"	238.035517	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H+K"	39.970434
"237109"	914.235026	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+ACN+H"	42.033826
"1213344"	478.134426	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+ACN+H"	42.033826
"1197226"	239.570851	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+ACN+2H"	43.041102
"191922"	917.17236	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+2Na-H"	44.97116
"631845"	1353.27296	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+2Na-H"	44.97116
"1134625"	481.07176	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2Na-H"	44.97116
"177549"	459.089818	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+2Na"	45.978436
"617475"	677.140118	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+2Na"	45.978436
"1126813"	241.039518	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2Na"	45.978436
"1407057"	161.028770666667	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H+2Na"	46.985712
"1442458"	483.113346	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H+HCOOH"	47.012746
"227783"	464.12284	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+3H2O+2H"	56.04448
"1519126"	497.16539	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+IsoProp+H"	61.06479
"417719"	467.076788	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+Na+K"	61.952376
"778714"	685.127088	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+Na+K"	61.952376
"1671040"	249.026488	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Na+K"	61.952376
"258288"	936.216968	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+ACN+Na"	64.015768
"1229538"	500.116368	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+ACN+Na"	64.015768
"1718059"	500.139893	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+NH4+HCOOH"	64.039293
"1181591"	168.356084666667	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+3Na"	68.967654
"1655129"	505.095288	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Na+HCOOH"	68.994688
"168187"	949.12024	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+2K-H"	76.91904
"608107"	1385.22084	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+2K-H"	76.91904
"1091528"	513.01964	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2K-H"	76.91904
"146160"	475.063758	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"2M+2K"	77.926316
"583534"	693.114058	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"3M+2K"	77.926316
"1072419"	257.013458	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2K"	77.926316
"1102347"	515.034192	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2K+H"	78.933592
"1337759"	515.121807	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+DMSO+H"	79.021207
"1010543"	519.160976	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2ACN+H"	83.060376
"1527577"	520.154608	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+IsoProp+Na+H"	84.054008
"994024"	260.084126	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+2ACN+2H"	84.067652
"1589622"	521.069228	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+K+HCOOH"	84.968628
"1417468"	551.100738	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+H+CF3COOH"	115.000138
"1150307"	280.597401	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+3ACN+2H"	125.094202
"1703868"	568.127285	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+NH4+CF3COOH"	132.026685
"1639521"	573.08268	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+Na+CF3COOH"	136.98208
"1579547"	589.05662	"C10093"	"Swertianolin;Bellidifolin-8-O-glucoside"	"C20H20O11"	"436.1006"	"M+K+CF3COOH"	152.95602
"813195"	244.0372	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M"	0
"975427"	225.01881	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H2O-H"	-19.01839
"76067"	161.684190666667	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-3H"	-3.021828
"511256"	243.029924	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-3H"	-3.021828
"887962"	80.3384573333333	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-3H"	-3.021828
"8723"	243.029924	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H"	-2.014552
"443910"	365.048524	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H"	-2.014552
"820620"	121.011324	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H"	-2.014552
"80975"	487.067124	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-H"	-1.007276
"519076"	731.104324	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-H"	-1.007276
"897975"	243.029924	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H"	-1.007276
"48094"	504.093671	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+NH4"	16.019271
"487530"	748.130871	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+NH4"	16.019271
"865460"	260.056471	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+NH4"	16.019271
"32749"	509.049066	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+Na"	20.974666
"473894"	753.086266	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+Na"	20.974666
"859353"	265.011866	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+Na"	20.974666
"1628887"	265.011866	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na-2H"	20.974666
"96303"	261.018263	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-H+Cl"	33.962126
"540971"	383.036863	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-H+Cl"	33.962126
"927797"	138.999663	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+Cl"	33.962126
"277060"	523.043802	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Cl"	34.969402
"670576"	767.081002	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Cl"	34.969402
"1287233"	279.006602	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl"	34.969402
"29792"	525.023006	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M-2H+K"	36.948606
"470448"	769.060206	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M-2H+K"	36.948606
"846182"	280.985806	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-2H+K"	36.948606
"1566394"	280.985806	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K-2H"	36.948606
"957191"	289.035394	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+HCOOH"	44.998194
"371397"	533.072601	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+HCOOH-H"	44.998201
"354186"	547.088251	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Hac-H"	59.013851
"1500830"	303.051051	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Hac-H"	59.013851
"966185"	311.017351	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+NaCOOH"	66.980151
"113999"	279.006602	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Cl"	69.938804
"554652"	401.025202	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Cl"	69.938804
"1023451"	156.988002	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Cl"	69.938804
"1249591"	322.956085	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Br"	78.918885
"1308760"	325.012072	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+HCOOH"	80.974872
"1330631"	346.994029	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+NaCOOH"	102.956829
"920599"	357.022786	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M-H+CF3COOH"	112.985586
"1297307"	392.999464	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Cl+CF3COOH"	148.962264
"1377654"	209.024524	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H-2H2O"	-35.012676
"1392965"	227.0345	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H-H2O"	-17.0027
"294839"	489.081676	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H"	1.007276
"690542"	733.118876	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H"	1.007276
"1363608"	245.044476	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H"	1.007276
"139050"	245.044476	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2H"	2.014552
"579338"	367.063076	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2H"	2.014552
"1049230"	123.025876	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2H"	2.014552
"219327"	163.698742666667	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+3H"	3.021828
"657427"	245.044476	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+3H"	3.021828
"1175914"	82.3530093333333	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3H"	3.021828
"438091"	506.108223	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+NH4"	18.033823
"800185"	750.145423	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+NH4"	18.033823
"1693596"	262.071023	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4"	18.033823
"341875"	253.5577495	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+NH4"	19.041099
"732836"	375.5763495	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+NH4"	19.041099
"1492125"	131.5391495	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+NH4"	19.041099
"404250"	511.063618	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Na"	22.989218
"765244"	755.100818	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Na"	22.989218
"1610062"	267.026418	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na"	22.989218
"321190"	256.035447	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+Na"	23.996494
"714706"	378.054047	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+Na"	23.996494
"1469619"	134.016847	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+Na"	23.996494
"1055211"	89.6803233333333	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2H+Na"	25.00377
"1259439"	277.070686	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+CH3OH+H"	33.033486
"384214"	527.037558	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+K"	38.963158
"743025"	771.074758	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+K"	38.963158
"1540701"	283.000358	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K"	38.963158
"301163"	264.022417	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+H+K"	39.970434
"693946"	386.041017	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+H+K"	39.970434
"1447039"	142.003817	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+K"	39.970434
"237828"	530.108226	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+ACN+H"	42.033826
"1214183"	286.071026	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+H"	42.033826
"1198065"	143.539151	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+2H"	43.041102
"192396"	533.04556	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Na-H"	44.97116
"634875"	777.08276	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Na-H"	44.97116
"1135829"	289.00836	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Na-H"	44.97116
"179485"	267.026418	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2Na"	45.978436
"623419"	389.045018	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2Na"	45.978436
"1130084"	145.007818	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2Na"	45.978436
"1410448"	97.0076373333333	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+2Na"	46.985712
"1444392"	291.049946	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+HCOOH"	47.012746
"227893"	272.05944	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+3H2O+2H"	56.04448
"1519236"	305.10199	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+IsoProp+H"	61.06479
"420015"	275.013388	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+Na+K"	61.952376
"779916"	397.031988	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+Na+K"	61.952376
"1668231"	152.994788	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+K"	61.952376
"260586"	552.090168	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+ACN+Na"	64.015768
"1230377"	308.052968	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+ACN+Na"	64.015768
"1718534"	308.076493	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4+HCOOH"	64.039293
"1181702"	104.334951333333	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3Na"	68.967654
"1654146"	313.031888	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+HCOOH"	68.994688
"164287"	564.99344	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2K-H"	76.91904
"604938"	809.03064	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2K-H"	76.91904
"1089453"	320.95624	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K-H"	76.91904
"148458"	283.000358	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"2M+2K"	77.926316
"588018"	405.018958	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"3M+2K"	77.926316
"1075809"	160.981758	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K"	77.926316
"1102457"	322.970792	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2K+H"	78.933592
"1337384"	323.058407	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+DMSO+H"	79.021207
"1013933"	327.097576	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2ACN+H"	83.060376
"1525866"	328.091208	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+IsoProp+Na+H"	84.054008
"993407"	164.052426	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+2ACN+2H"	84.067652
"1590826"	329.005828	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K+HCOOH"	84.968628
"1417578"	359.037338	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+H+CF3COOH"	115.000138
"1151511"	184.565701	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+3ACN+2H"	125.094202
"1699237"	376.063885	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+NH4+CF3COOH"	132.026685
"1639631"	381.01928	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+Na+CF3COOH"	136.98208
"1579657"	396.99322	"C10094"	"135-Trihydroxyxanthone"	"C13H8O5"	"244.0372"	"M+K+CF3COOH"	152.95602
"816344"	422.0849	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M"	0
"989654"	403.06651	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-H2O-H"	-19.01839
"78001"	280.382657333333	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M-3H"	-3.021828
"512459"	421.077624	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M-3H"	-3.021828
"889167"	139.687690666667	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-3H"	-3.021828
"11020"	421.077624	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M-2H"	-2.014552
"446207"	632.120074	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M-2H"	-2.014552
"821823"	210.035174	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-2H"	-2.014552
"85097"	843.162524	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M-H"	-1.007276
"519063"	1265.247424	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M-H"	-1.007276
"895729"	421.077624	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-H"	-1.007276
"47351"	860.189071	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M-2H+NH4"	16.019271
"487642"	1282.273971	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M-2H+NH4"	16.019271
"864835"	438.104171	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-2H+NH4"	16.019271
"34443"	865.144466	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M-2H+Na"	20.974666
"474005"	1287.229366	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M-2H+Na"	20.974666
"855090"	443.059566	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-2H+Na"	20.974666
"1628997"	443.059566	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Na-2H"	20.974666
"98966"	439.065963	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M-H+Cl"	33.962126
"540717"	650.108413	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M-H+Cl"	33.962126
"927706"	228.023513	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-H+Cl"	33.962126
"279358"	879.139202	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+Cl"	34.969402
"673602"	1301.224102	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+Cl"	34.969402
"1287587"	457.054302	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Cl"	34.969402
"31357"	881.118406	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M-2H+K"	36.948606
"471256"	1303.203306	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M-2H+K"	36.948606
"848454"	459.033506	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-2H+K"	36.948606
"1569785"	459.033506	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+K-2H"	36.948606
"956208"	467.083094	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-H+HCOOH"	44.998194
"371507"	889.168001	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+HCOOH-H"	44.998201
"355391"	903.183651	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+Hac-H"	59.013851
"1503127"	481.098751	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Hac-H"	59.013851
"967390"	489.065051	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-H+NaCOOH"	66.980151
"117389"	457.054302	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+2Cl"	69.938804
"556950"	668.096752	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+2Cl"	69.938804
"1029029"	246.011852	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2Cl"	69.938804
"1246420"	501.003785	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Br"	78.918885
"1308869"	503.059772	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Cl+HCOOH"	80.974872
"1328554"	525.041729	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Cl+NaCOOH"	102.956829
"925451"	535.070486	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M-H+CF3COOH"	112.985586
"1301792"	571.047164	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Cl+CF3COOH"	148.962264
"1378859"	387.072224	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H-2H2O"	-35.012676
"1395262"	405.0822	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H-H2O"	-17.0027
"296898"	845.177076	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+H"	1.007276
"689560"	1267.261976	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+H"	1.007276
"1362625"	423.092176	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H"	1.007276
"140253"	423.092176	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+2H"	2.014552
"579571"	634.134626	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+2H"	2.014552
"1050433"	212.049726	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2H"	2.014552
"219803"	282.397209333333	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+3H"	3.021828
"657173"	423.092176	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+3H"	3.021828
"1176758"	141.702242666667	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+3H"	3.021828
"436743"	862.203623	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+NH4"	18.033823
"798839"	1284.288523	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+NH4"	18.033823
"1694070"	440.118723	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+NH4"	18.033823
"343078"	431.6054495	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+H+NH4"	19.041099
"734769"	642.6478995	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+H+NH4"	19.041099
"1492358"	220.5629995	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H+NH4"	19.041099
"403997"	867.159018	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+Na"	22.989218
"766448"	1289.243918	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+Na"	22.989218
"1607985"	445.074118	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Na"	22.989218
"320208"	434.083147	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+H+Na"	23.996494
"718097"	645.125597	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+H+Na"	23.996494
"1466450"	223.040697	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H+Na"	23.996494
"1053376"	149.029556666667	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2H+Na"	25.00377
"1257728"	455.118386	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+CH3OH+H"	33.033486
"381044"	883.132958	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+K"	38.963158
"740949"	1305.217858	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+K"	38.963158
"1540690"	461.048058	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+K"	38.963158
"301637"	442.070117	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+H+K"	39.970434
"692962"	653.112567	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+H+K"	39.970434
"1447513"	231.027667	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H+K"	39.970434
"237208"	886.203626	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+ACN+H"	42.033826
"1216480"	464.118726	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+ACN+H"	42.033826
"1199273"	232.563001	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+ACN+2H"	43.041102
"196518"	889.14096	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+2Na-H"	44.97116
"633892"	1311.22586	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+2Na-H"	44.97116
"1135575"	467.05606	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2Na-H"	44.97116
"183969"	445.074118	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+2Na"	45.978436
"623529"	656.116568	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+2Na"	45.978436
"1130195"	234.031668	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2Na"	45.978436
"1412503"	156.356870666667	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H+2Na"	46.985712
"1442677"	469.097646	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H+HCOOH"	47.012746
"230190"	450.10714	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+3H2O+2H"	56.04448
"1519346"	483.14969	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+IsoProp+H"	61.06479
"422317"	453.061088	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+Na+K"	61.952376
"778941"	664.103538	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+Na+K"	61.952376
"1675270"	242.018638	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Na+K"	61.952376
"262881"	908.185568	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+ACN+Na"	64.015768
"1230123"	486.100668	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+ACN+Na"	64.015768
"1715364"	486.124193	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+NH4+HCOOH"	64.039293
"1181084"	163.684184666667	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+3Na"	68.967654
"1654256"	491.079588	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Na+HCOOH"	68.994688
"160024"	921.08884	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+2K-H"	76.91904
"603958"	1343.17374	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+2K-H"	76.91904
"1090656"	499.00394	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2K-H"	76.91904
"149662"	461.048058	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"2M+2K"	77.926316
"588128"	672.090508	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"3M+2K"	77.926316
"1075918"	250.005608	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2K"	77.926316
"1100378"	501.018492	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2K+H"	78.933592
"1340048"	501.106107	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+DMSO+H"	79.021207
"1015141"	505.145276	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2ACN+H"	83.060376
"1525735"	506.138908	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+IsoProp+Na+H"	84.054008
"995341"	253.076276	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+2ACN+2H"	84.067652
"1593124"	507.053528	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+K+HCOOH"	84.968628
"1423157"	537.085038	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+H+CF3COOH"	115.000138
"1153445"	273.589551	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+3ACN+2H"	125.094202
"1704089"	554.111585	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+NH4+CF3COOH"	132.026685
"1639741"	559.06698	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+Na+CF3COOH"	136.98208
"1579765"	575.04092	"C10095"	"Tripteroside;Norathyriol-6-O-beta-D-glucoside"	"C19H18O11"	"422.0849"	"M+K+CF3COOH"	152.95602
"813415"	286.0477	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M"	0
"988771"	267.02931	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"76284"	189.691190666667	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"510383"	285.040424	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"885999"	94.3419573333333	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"8945"	285.040424	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"444132"	428.064274	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"819746"	142.016574	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"79007"	571.088124	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"520392"	857.135824	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"895870"	285.040424	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"48316"	588.114671	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"487343"	874.162371	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"864583"	302.066971	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"33460"	593.070066	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"473021"	879.117766	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"855200"	307.022366	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1629107"	307.022366	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"98347"	303.028763	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"541920"	446.052613	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"929234"	160.004913	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"282142"	607.064802	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"674076"	893.112502	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1287209"	321.017102	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"29043"	609.044006	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"470061"	895.091706	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"847134"	322.996306	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1566613"	322.996306	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"954496"	331.045894	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"371253"	617.093601	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"351126"	631.109251	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1503240"	345.061551	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"971511"	353.027851	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"117500"	321.017102	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"564353"	464.040952	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1028047"	177.993252	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1245440"	364.966585	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1310073"	367.022572	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1322102"	389.004529	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"925926"	399.033286	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1302271"	435.009964	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1378969"	251.035024	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1393184"	269.045	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"297123"	573.102676	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"685290"	859.150376	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1364921"	287.054976	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"137810"	287.054976	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"575182"	430.078826	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1051396"	144.031126	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"218699"	191.705742666667	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"659352"	287.054976	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1177113"	96.3565093333333	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"438798"	590.129223	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"800162"	876.176923	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1695280"	304.081523	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"343552"	295.5682495	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"735972"	438.5920995	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1492350"	152.5443995	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"406661"	595.084618	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"765466"	881.132318	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1613562"	309.036918	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"326879"	298.045947	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"716020"	441.069797	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1466561"	155.022097	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1053972"	103.683823333333	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1259299"	319.081186	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"378962"	611.058558	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"741058"	897.106258	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1542017"	325.010858	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"301383"	306.032917	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"691694"	449.056767	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1449811"	163.009067	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"238412"	614.129226	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1216590"	328.081526	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1198290"	164.544401	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"195535"	617.06656	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"634002"	903.11426	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1138601"	331.01886	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"182986"	309.036918	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"626799"	452.060768	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1130184"	166.013068	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1407388"	111.011137333333	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1441694"	333.060446	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"231393"	314.06994	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1518363"	347.11249	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"420603"	317.023888	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"781964"	460.047738	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1672099"	174.000038	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"259711"	636.111168	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1230232"	350.063468	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1718026"	350.086993	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1182289"	118.338451333333	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1655461"	355.042388	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"160135"	649.01444	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"602975"	935.06214	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1091860"	362.96674	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"149772"	325.010858	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"588238"	468.034708	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1073841"	181.987008	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1102677"	364.981292	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1337971"	365.068907	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1011970"	369.108076	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1529004"	370.101708	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"999825"	185.057676	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1589954"	371.016328	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1419987"	401.047838	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1154648"	205.570951	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1704199"	418.074385	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1639851"	423.02978	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1574408"	439.00372	"C10097"	"Isoscutellarein;8-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"813525"	300.0634	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M"	0
"989653"	281.04501	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"76394"	199.034990666667	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"512679"	299.056124	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"893763"	99.0138573333333	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"10148"	299.056124	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"446430"	449.087824	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"819858"	149.024424	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"83128"	599.119524	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"521595"	899.182924	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"898305"	299.056124	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"48304"	616.146071	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"487744"	916.209471	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"865420"	316.082671	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"32226"	621.101466	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"473496"	921.164866	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"856403"	321.038066	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1629217"	321.038066	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"108545"	317.044463	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"540571"	467.076163	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"934450"	167.012763	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"277394"	635.096202	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"673461"	935.159602	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1286958"	335.032802	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"30857"	637.075406	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"471268"	937.138806	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"848058"	337.012006	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1570006"	337.012006	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"954606"	345.061594	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"376633"	645.125001	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"354516"	659.140651	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1505902"	359.077251	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"971986"	367.043551	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"119798"	335.032802	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"562640"	485.064502	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1031439"	185.001102	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1245549"	378.982285	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1309090"	381.038272	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1321483"	403.020229	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"924212"	413.048986	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1302379"	449.025664	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1379080"	265.050724	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1398037"	283.0607	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"297361"	601.134076	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"690504"	901.197476	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1366873"	301.070676	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"140600"	301.070676	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"581132"	451.102376	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1052115"	151.038976	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"218199"	201.049542666667	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"657022"	301.070676	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1177827"	101.028409333333	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"439030"	618.160623	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"799416"	918.224023	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1696120"	318.097223	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"345124"	309.5839495	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"735354"	459.6156495	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1490633"	159.5522495	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"407014"	623.116018	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"768495"	923.179418	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1615863"	323.052618	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"325898"	312.061647	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"719779"	462.093347	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1475057"	162.029947	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1063198"	108.355723333333	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1261597"	333.096886	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"385636"	639.089958	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"741169"	939.153358	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1541035"	339.026558	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"308054"	320.048617	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"698288"	470.080317	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1453202"	170.016917	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"241806"	642.160626	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1213421"	342.097226	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1198400"	171.552251	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"192365"	645.09796	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"636300"	945.16136	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1139806"	345.03456	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"186015"	323.052618	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"626667"	473.084318	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1127624"	173.020918	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1410780"	115.683037333333	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1436334"	347.076146	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"233449"	328.08564	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1522120"	361.12819	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"419252"	331.039588	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"784018"	481.071288	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1675490"	181.007888	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"260917"	664.142568	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1233625"	364.079168	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1722876"	364.102693	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1187866"	123.010351333333	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1659945"	369.058088	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"166806"	677.04584	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"606365"	977.10924	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1095251"	376.98244	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"148789"	339.026558	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"587254"	489.058258	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1072858"	188.994858	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1103151"	378.996992	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1342455"	379.084607	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1014267"	383.123776	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1532394"	384.117408	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"999935"	192.065526	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1591157"	385.032028	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1417910"	415.063538	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1154758"	212.578801	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1704309"	432.090085	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1639961"	437.04548	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1574518"	453.01942	"C10098"	"Kaempferide;Kempferide;Kaempferol 4-methyl ether"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"815822"	692.2258	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M"	0
"988262"	673.20741	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-H2O-H"	-19.01839
"76505"	460.476590666667	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M-3H"	-3.021828
"509505"	691.218524	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M-3H"	-3.021828
"885125"	229.734657333333	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-3H"	-3.021828
"8072"	691.218524	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M-2H"	-2.014552
"440706"	1037.331424	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M-2H"	-2.014552
"819967"	345.105624	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-2H"	-2.014552
"78772"	1383.444324	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M-H"	-1.007276
"519391"	2075.670124	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M-H"	-1.007276
"895970"	691.218524	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-H"	-1.007276
"47678"	1400.470871	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M-2H+NH4"	16.019271
"488097"	2092.696671	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M-2H+NH4"	16.019271
"864791"	708.245071	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-2H+NH4"	16.019271
"32083"	1405.426266	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M-2H+Na"	20.974666
"472754"	2097.652066	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M-2H+Na"	20.974666
"852137"	713.200466	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-2H+Na"	20.974666
"1627140"	713.200466	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Na-2H"	20.974666
"109754"	709.206863	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M-H+Cl"	33.962126
"540317"	1055.319763	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M-H+Cl"	33.962126
"933467"	363.093963	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-H+Cl"	33.962126
"279325"	1419.421002	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+Cl"	34.969402
"672476"	2111.646802	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+Cl"	34.969402
"1285245"	727.195202	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Cl"	34.969402
"28170"	1421.400206	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M-2H+K"	36.948606
"469188"	2113.626006	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M-2H+K"	36.948606
"845896"	729.174406	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-2H+K"	36.948606
"1566831"	729.174406	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+K-2H"	36.948606
"948152"	737.223994	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-H+HCOOH"	44.998194
"368554"	1429.449801	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+HCOOH-H"	44.998201
"348064"	1443.465451	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+Hac-H"	59.013851
"1500177"	751.239651	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Hac-H"	59.013851
"965531"	759.205951	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-H+NaCOOH"	66.980151
"121000"	727.195202	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+2Cl"	69.938804
"559467"	1073.308102	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+2Cl"	69.938804
"1030455"	381.082302	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2Cl"	69.938804
"1244564"	771.144685	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Br"	78.918885
"1311385"	773.200672	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Cl+HCOOH"	80.974872
"1322687"	795.182629	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Cl+NaCOOH"	102.956829
"925054"	805.211386	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M-H+CF3COOH"	112.985586
"1302489"	841.188064	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Cl+CF3COOH"	148.962264
"1380283"	657.213124	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H-2H2O"	-35.012676
"1397779"	675.2231	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H-H2O"	-17.0027
"296372"	1385.458876	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+H"	1.007276
"686605"	2077.684676	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+H"	1.007276
"1365142"	693.233076	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H"	1.007276
"141073"	693.233076	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+2H"	2.014552
"580022"	1039.345976	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+2H"	2.014552
"1052103"	347.120176	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2H"	2.014552
"219159"	462.491142666667	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+3H"	3.021828
"656038"	693.233076	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+3H"	3.021828
"1178097"	231.749209333333	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+3H"	3.021828
"439140"	1402.485423	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+NH4"	18.033823
"798433"	2094.711223	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+NH4"	18.033823
"1696716"	710.259623	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+NH4"	18.033823
"344137"	701.7463495	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+H+NH4"	19.041099
"736557"	1047.8592495	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+H+NH4"	19.041099
"1490743"	355.6334495	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H+NH4"	19.041099
"407246"	1407.440818	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+Na"	22.989218
"768846"	2099.666618	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+Na"	22.989218
"1614881"	715.215018	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Na"	22.989218
"327833"	704.224047	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+H+Na"	23.996494
"721225"	1050.336947	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+H+Na"	23.996494
"1474803"	358.111147	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H+Na"	23.996494
"1060028"	239.076523333333	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2H+Na"	25.00377
"1262800"	725.259286	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+CH3OH+H"	33.033486
"385749"	1423.414758	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+K"	38.963158
"741279"	2115.640558	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+K"	38.963158
"1540416"	731.188958	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+K"	38.963158
"307071"	712.211017	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+H+K"	39.970434
"697305"	1058.323917	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+H+K"	39.970434
"1453313"	366.098117	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H+K"	39.970434
"244101"	1426.485426	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+ACN+H"	42.033826
"1214624"	734.259626	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+ACN+H"	42.033826
"1198510"	367.633451	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+ACN+2H"	43.041102
"193932"	1429.42276	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+2Na-H"	44.97116
"636410"	2121.64856	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+2Na-H"	44.97116
"1142103"	737.19696	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2Na-H"	44.97116
"186249"	715.215018	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+2Na"	45.978436
"627997"	1061.327918	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+2Na"	45.978436
"1128827"	369.102118	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2Na"	45.978436
"1413078"	246.403837333333	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H+2Na"	46.985712
"1436444"	739.238546	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H+HCOOH"	47.012746
"233801"	720.24804	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+3H2O+2H"	56.04448
"1521862"	753.29059	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+IsoProp+H"	61.06479
"416080"	723.201988	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+Na+K"	61.952376
"784975"	1069.314888	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+Na+K"	61.952376
"1674508"	377.089088	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Na+K"	61.952376
"259934"	1448.467368	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+ACN+Na"	64.015768
"1234828"	756.241568	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+ACN+Na"	64.015768
"1722258"	756.265093	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+NH4+HCOOH"	64.039293
"1187977"	253.731151333333	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+3Na"	68.967654
"1658962"	761.220488	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Na+HCOOH"	68.994688
"166916"	1461.37064	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+2K-H"	76.91904
"605382"	2153.59644	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+2K-H"	76.91904
"1095361"	769.14484	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2K-H"	76.91904
"151086"	731.188958	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"2M+2K"	77.926316
"589552"	1077.301858	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"3M+2K"	77.926316
"1070781"	385.076058	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2K"	77.926316
"1102897"	771.159392	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2K+H"	78.933592
"1341472"	771.247007	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+DMSO+H"	79.021207
"1013284"	775.286176	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2ACN+H"	83.060376
"1531411"	776.279808	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+IsoProp+Na+H"	84.054008
"1001138"	388.146726	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+2ACN+2H"	84.067652
"1590173"	777.194428	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+K+HCOOH"	84.968628
"1419113"	807.225938	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+H+CF3COOH"	115.000138
"1153775"	408.660001	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+3ACN+2H"	125.094202
"1707699"	824.252485	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+NH4+CF3COOH"	132.026685
"1642258"	829.20788	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+Na+CF3COOH"	136.98208
"1576815"	845.18182	"C10099"	"Kuwanone G"	"C40H36O11"	"692.2258"	"M+K+CF3COOH"	152.95602
"813745"	760.2884	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M"	0
"989743"	741.27001	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-H2O-H"	-19.01839
"76617"	505.851657333333	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M-3H"	-3.021828
"511803"	759.281124	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M-3H"	-3.021828
"888515"	252.422190666667	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-3H"	-3.021828
"10371"	759.281124	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M-2H"	-2.014552
"441546"	1139.425324	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M-2H"	-2.014552
"821172"	379.136924	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-2H"	-2.014552
"79947"	1519.569524	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M-H"	-1.007276
"521453"	2279.857924	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M-H"	-1.007276
"902903"	759.281124	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-H"	-1.007276
"55092"	1536.596071	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M-2H+NH4"	16.019271
"491369"	2296.884471	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M-2H+NH4"	16.019271
"870264"	776.307671	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-2H+NH4"	16.019271
"33912"	1541.551466	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M-2H+Na"	20.974666
"472618"	2301.839866	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M-2H+Na"	20.974666
"852247"	781.263066	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-2H+Na"	20.974666
"1618856"	781.263066	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Na-2H"	20.974666
"101593"	777.269463	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M-H+Cl"	33.962126
"545530"	1157.413663	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M-H+Cl"	33.962126
"937951"	397.125263	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-H+Cl"	33.962126
"281746"	1555.546202	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+Cl"	34.969402
"673925"	2315.834602	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+Cl"	34.969402
"1287786"	795.257802	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Cl"	34.969402
"31032"	1557.525406	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M-2H+K"	36.948606
"470759"	2317.813806	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M-2H+K"	36.948606
"847832"	797.237006	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-2H+K"	36.948606
"1569860"	797.237006	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+K-2H"	36.948606
"950450"	805.286594	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-H+HCOOH"	44.998194
"369759"	1565.575001	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+HCOOH-H"	44.998201
"353642"	1579.590651	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+Hac-H"	59.013851
"1502474"	819.302251	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Hac-H"	59.013851
"965642"	827.268551	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-H+NaCOOH"	66.980151
"117830"	795.257802	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+2Cl"	69.938804
"561764"	1175.402002	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+2Cl"	69.938804
"1034575"	415.113602	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2Cl"	69.938804
"1253423"	839.207285	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Br"	78.918885
"1310403"	841.263272	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Cl+HCOOH"	80.974872
"1328994"	863.245229	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Cl+NaCOOH"	102.956829
"927055"	873.273986	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M-H+CF3COOH"	112.985586
"1302235"	909.250664	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Cl+CF3COOH"	148.962264
"1381490"	725.275724	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H-2H2O"	-35.012676
"1397973"	743.2857	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H-H2O"	-17.0027
"297212"	1521.584076	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+H"	1.007276
"689996"	2281.872476	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+H"	1.007276
"1366346"	761.295676	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H"	1.007276
"139970"	761.295676	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+2H"	2.014552
"580254"	1141.439876	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+2H"	2.014552
"1052216"	381.151476	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2H"	2.014552
"218292"	507.866209333333	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+3H"	3.021828
"657242"	761.295676	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+3H"	3.021828
"1176096"	254.436742666667	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+3H"	3.021828
"438399"	1538.610623	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+NH4"	18.033823
"800365"	2298.899023	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+NH4"	18.033823
"1696338"	778.322223	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+NH4"	18.033823
"344249"	769.8089495	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+H+NH4"	19.041099
"738124"	1149.9531495	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+H+NH4"	19.041099
"1491580"	389.6647495	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H+NH4"	19.041099
"405168"	1543.566018	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+Na"	22.989218
"768353"	2303.854418	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+Na"	22.989218
"1617178"	783.277618	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Na"	22.989218
"325028"	772.286647	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+H+Na"	23.996494
"720000"	1152.430847	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+H+Na"	23.996494
"1472363"	392.142447	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H+Na"	23.996494
"1064512"	261.764056666667	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2H+Na"	25.00377
"1267284"	793.321886	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+CH3OH+H"	33.033486
"381485"	1559.539958	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+K"	38.963158
"741389"	2319.828358	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+K"	38.963158
"1550005"	799.251558	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+K"	38.963158
"306091"	780.273617	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+H+K"	39.970434
"703978"	1160.417817	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+H+K"	39.970434
"1454518"	400.129417	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H+K"	39.970434
"243119"	1562.610626	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+ACN+H"	42.033826
"1213642"	802.322226	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+ACN+H"	42.033826
"1198620"	401.664751	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+ACN+2H"	43.041102
"192585"	1565.54796	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+2Na-H"	44.97116
"641989"	2325.83636	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+2Na-H"	44.97116
"1145494"	805.25956	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2Na-H"	44.97116
"188184"	783.277618	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+2Na"	45.978436
"627739"	1163.421818	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+2Na"	45.978436
"1131127"	403.133418	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2Na"	45.978436
"1412092"	269.091370666667	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H+2Na"	46.985712
"1438741"	807.301146	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H+HCOOH"	47.012746
"233911"	788.31064	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+3H2O+2H"	56.04448
"1523070"	821.35319	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+IsoProp+H"	61.06479
"418378"	791.264588	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+Na+K"	61.952376
"784483"	1171.408788	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+Na+K"	61.952376
"1675713"	411.120388	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Na+K"	61.952376
"263323"	1584.592568	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+ACN+Na"	64.015768
"1236035"	824.304168	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+ACN+Na"	64.015768
"1725650"	824.327693	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+NH4+HCOOH"	64.039293
"1189180"	276.418684666667	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+3Na"	68.967654
"1657977"	829.283088	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Na+HCOOH"	68.994688
"168119"	1597.49584	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+2K-H"	76.91904
"605492"	2357.78424	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+2K-H"	76.91904
"1093284"	837.20744	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2K-H"	76.91904
"153381"	799.251558	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"2M+2K"	77.926316
"589660"	1179.395758	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"3M+2K"	77.926316
"1070891"	419.107358	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2K"	77.926316
"1101914"	839.221992	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2K+H"	78.933592
"1342675"	839.309607	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+DMSO+H"	79.021207
"1015580"	843.348776	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2ACN+H"	83.060376
"1539423"	844.342408	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+IsoProp+Na+H"	84.054008
"1002343"	422.178026	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+2ACN+2H"	84.067652
"1595752"	845.257028	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+K+HCOOH"	84.968628
"1425785"	875.288538	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+H+CF3COOH"	115.000138
"1159354"	442.691301	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+3ACN+2H"	125.094202
"1708904"	892.315085	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+NH4+CF3COOH"	132.026685
"1645649"	897.27048	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+Na+CF3COOH"	136.98208
"1576926"	913.24442	"C10100"	"Kuwanone H"	"C45H44O11"	"760.2884"	"M+K+CF3COOH"	152.95602
"804378"	344.0896	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M"	0
"984108"	325.07121	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"73443"	228.385790666667	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"504379"	343.082324	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"892999"	113.689257333333	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"7198"	343.082324	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"442020"	515.127124	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"821647"	171.037524	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"81272"	687.171924	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"520468"	1031.261524	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"901191"	343.082324	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"53380"	704.198471	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"491480"	1048.288071	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"868187"	360.108871	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"33293"	709.153866	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"472365"	1053.243466	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"851264"	365.064266	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1618563"	365.064266	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"101704"	361.070663	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"545642"	533.115463	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"940249"	189.025863	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"280278"	723.148602	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"674523"	1067.238202	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1288182"	379.059002	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"31290"	725.127806	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"470870"	1069.217406	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"847824"	381.038206	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1571292"	381.038206	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"956029"	389.087794	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"375336"	733.177401	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"357032"	747.193051	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1504771"	403.103451	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"969032"	411.069751	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"117940"	379.059002	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"560781"	551.103802	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1035049"	207.014202	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1253533"	423.008485	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1310513"	425.064472	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1329104"	447.046429	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"926130"	457.075186	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1301252"	493.051864	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1382088"	309.076924	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1398220"	327.0869	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"298433"	689.186476	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"690112"	1033.276076	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1366338"	345.096876	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"140444"	345.096876	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"580606"	517.141676	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1052444"	173.052076	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"219737"	230.400342666667	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"654071"	345.096876	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1175477"	115.703809333333	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"435470"	706.213023	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"797558"	1050.302623	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1696856"	362.123423	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"342900"	353.6101495	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"735683"	525.6549495	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1489504"	181.5653495	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"407832"	711.168418	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"767005"	1055.258018	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1615101"	367.078818	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"326232"	356.087847	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"716468"	528.132647	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1471381"	184.043047	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1061346"	123.031123333333	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1269217"	377.123086	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"384876"	727.142358	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"740525"	1071.231958	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1545742"	383.052758	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"306201"	364.074817	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"697528"	536.119617	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1454628"	192.030017	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"241407"	730.213026	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1217032"	386.123426	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1199094"	193.565351	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"195975"	733.15036	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"642100"	1077.23996	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1143417"	389.06076	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"188168"	367.078818	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"626268"	539.123618	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1130503"	195.034018	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1411109"	130.358437333333	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1437758"	391.102346	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"229647"	372.11184	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1522813"	405.15439	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"422863"	375.065788	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"783857"	547.110588	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1677646"	203.020988	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"264162"	752.194968	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1238331"	408.105368	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1726853"	408.128893	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1189290"	137.685751333333	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1658087"	413.084288	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"168230"	765.09824	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"605602"	1109.18784	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1093394"	421.00864	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"151304"	383.052758	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"588677"	555.097558	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1069781"	211.007958	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1102145"	423.023192	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1342785"	423.110807	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1014597"	427.149976	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1539534"	428.143608	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"1004886"	214.078626	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1595862"	429.058228	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1424802"	459.089738	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1159464"	234.591901	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1710107"	476.116285	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1645759"	481.07168	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1577036"	497.04562	"C10101"	"(-)-Usnic acid;(S)-Usnic acid;(S)-Usnate"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"804124"	610.1534	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M"	0
"983125"	591.13501	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-H2O-H"	-19.01839
"69180"	405.761657333333	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M-3H"	-3.021828
"504732"	609.146124	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M-3H"	-3.021828
"886547"	202.377190666667	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-3H"	-3.021828
"8404"	609.146124	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M-2H"	-2.014552
"442860"	914.222824	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M-2H"	-2.014552
"819569"	304.069424	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-2H"	-2.014552
"78706"	1219.299524	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M-H"	-1.007276
"520215"	1829.452924	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M-H"	-1.007276
"900207"	609.146124	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-H"	-1.007276
"50207"	1236.326071	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M-2H+NH4"	16.019271
"490496"	1846.479471	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M-2H+NH4"	16.019271
"867204"	626.172671	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-2H+NH4"	16.019271
"32919"	1241.281466	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M-2H+Na"	20.974666
"473572"	1851.434866	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M-2H+Na"	20.974666
"851008"	631.128066	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-2H+Na"	20.974666
"1618713"	631.128066	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Na-2H"	20.974666
"102907"	627.134463	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M-H+Cl"	33.962126
"543565"	932.211163	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M-H+Cl"	33.962126
"939266"	322.057763	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-H+Cl"	33.962126
"282658"	1255.276202	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+Cl"	34.969402
"675487"	1865.429602	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+Cl"	34.969402
"1288461"	645.122802	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Cl"	34.969402
"31009"	1257.255406	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M-2H+K"	36.948606
"470578"	1867.408806	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M-2H+K"	36.948606
"848388"	647.102006	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-2H+K"	36.948606
"1571181"	647.102006	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+K-2H"	36.948606
"956871"	655.151594	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-H+HCOOH"	44.998194
"373261"	1265.305001	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+HCOOH-H"	44.998201
"356778"	1279.320651	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+Hac-H"	59.013851
"1501601"	669.167251	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Hac-H"	59.013851
"968414"	677.133551	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-H+NaCOOH"	66.980151
"114769"	645.122802	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+2Cl"	69.938804
"560891"	950.199502	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+2Cl"	69.938804
"1035888"	340.046102	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2Cl"	69.938804
"1253643"	689.072285	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Br"	78.918885
"1310623"	691.128272	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Cl+HCOOH"	80.974872
"1329214"	713.110229	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Cl+NaCOOH"	102.956829
"926934"	723.138986	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M-H+CF3COOH"	112.985586
"1302822"	759.115664	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Cl+CF3COOH"	148.962264
"1381955"	575.140724	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H-2H2O"	-35.012676
"1397015"	593.1507	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H-H2O"	-17.0027
"296701"	1221.314076	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+H"	1.007276
"690583"	1831.467476	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+H"	1.007276
"1366203"	611.160676	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H"	1.007276
"140913"	611.160676	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+2H"	2.014552
"575734"	916.237376	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+2H"	2.014552
"1051825"	306.083976	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2H"	2.014552
"217902"	407.776209333333	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+3H"	3.021828
"651995"	611.160676	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+3H"	3.021828
"1174130"	204.391742666667	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+3H"	3.021828
"433393"	1238.340623	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+NH4"	18.033823
"795479"	1848.494023	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+NH4"	18.033823
"1695465"	628.187223	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+NH4"	18.033823
"341186"	619.6739495	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+H+NH4"	19.041099
"733607"	924.7506495	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+H+NH4"	19.041099
"1486333"	314.5972495	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H+NH4"	19.041099
"402836"	1243.296018	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+Na"	22.989218
"761645"	1853.449418	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+Na"	22.989218
"1614846"	633.142618	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Na"	22.989218
"320874"	622.151647	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+H+Na"	23.996494
"716943"	927.228347	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+H+Na"	23.996494
"1471854"	317.074947	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H+Na"	23.996494
"1063639"	211.719056666667	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2H+Na"	25.00377
"1267140"	643.186886	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+CH3OH+H"	33.033486
"379519"	1259.269958	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+K"	38.963158
"739542"	1869.423358	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+K"	38.963158
"1546945"	649.116558	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+K"	38.963158
"308498"	630.138617	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+H+K"	39.970434
"696544"	935.215317	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+H+K"	39.970434
"1450728"	325.061917	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H+K"	39.970434
"237142"	1262.340626	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+ACN+H"	42.033826
"1212403"	652.187226	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+ACN+H"	42.033826
"1196288"	326.597251	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+ACN+2H"	43.041102
"196085"	1265.27796	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+2Na-H"	44.97116
"642209"	1875.43136	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+2Na-H"	44.97116
"1143527"	655.12456	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2Na-H"	44.97116
"187790"	633.142618	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+2Na"	45.978436
"627107"	938.219318	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+2Na"	45.978436
"1129884"	328.065918	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2Na"	45.978436
"1410125"	219.046370666667	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H+2Na"	46.985712
"1438961"	657.166146	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H+HCOOH"	47.012746
"228664"	638.17564	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+3H2O+2H"	56.04448
"1521829"	671.21819	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+IsoProp+H"	61.06479
"423662"	641.129588	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+Na+K"	61.952376
"783967"	946.206288	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+Na+K"	61.952376
"1678120"	336.052888	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Na+K"	61.952376
"264273"	1284.322568	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+ACN+Na"	64.015768
"1237348"	674.169168	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+ACN+Na"	64.015768
"1726963"	674.192693	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+NH4+HCOOH"	64.039293
"1191951"	226.373684666667	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+3Na"	68.967654
"1659290"	679.148088	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Na+HCOOH"	68.994688
"168341"	1297.22584	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+2K-H"	76.91904
"605712"	1907.37924	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+2K-H"	76.91904
"1093504"	687.07244	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2K-H"	76.91904
"149228"	649.116558	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"2M+2K"	77.926316
"587694"	954.193258	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"3M+2K"	77.926316
"1069164"	344.039858	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2K"	77.926316
"1102134"	689.086992	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2K+H"	78.933592
"1342895"	689.174607	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+DMSO+H"	79.021207
"1014707"	693.213776	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2ACN+H"	83.060376
"1539730"	694.207408	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+IsoProp+Na+H"	84.054008
"1004996"	347.110526	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+2ACN+2H"	84.067652
"1595972"	695.122028	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+K+HCOOH"	84.968628
"1424912"	725.153538	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+H+CF3COOH"	115.000138
"1158481"	367.623801	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+3ACN+2H"	125.094202
"1711310"	742.180085	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+NH4+CF3COOH"	132.026685
"1645869"	747.13548	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+Na+CF3COOH"	136.98208
"1577146"	763.10942	"C10102"	"Lucenin-2;Luteolin 68-di-C-glucoside"	"C27H30O16"	"610.1534"	"M+K+CF3COOH"	152.95602
"804234"	534.101	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M"	0
"983235"	515.08261	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-H2O-H"	-19.01839
"69290"	355.060057333333	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M-3H"	-3.021828
"506664"	533.093724	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M-3H"	-3.021828
"887750"	177.026390666667	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-3H"	-3.021828
"10700"	533.093724	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M-2H"	-2.014552
"444063"	800.144224	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M-2H"	-2.014552
"821135"	266.043224	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-2H"	-2.014552
"78694"	1067.194724	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M-H"	-1.007276
"521417"	1601.295724	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M-H"	-1.007276
"899952"	533.093724	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-H"	-1.007276
"49587"	1084.221271	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M-2H+NH4"	16.019271
"491333"	1618.322271	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M-2H+NH4"	16.019271
"868041"	550.120271	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-2H+NH4"	16.019271
"35943"	1089.176666	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M-2H+Na"	20.974666
"476232"	1623.277666	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M-2H+Na"	20.974666
"851118"	555.075666	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-2H+Na"	20.974666
"1619557"	555.075666	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Na-2H"	20.974666
"103017"	551.082063	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M-H+Cl"	33.962126
"540394"	818.132563	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M-H+Cl"	33.962126
"933908"	284.031563	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-H+Cl"	33.962126
"272464"	1103.171402	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+Cl"	34.969402
"673887"	1637.272402	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+Cl"	34.969402
"1284947"	569.070402	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Cl"	34.969402
"25316"	1105.150606	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M-2H+K"	36.948606
"470728"	1639.251606	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M-2H+K"	36.948606
"847799"	571.049606	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-2H+K"	36.948606
"1570317"	571.049606	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+K-2H"	36.948606
"954790"	579.099194	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-H+HCOOH"	44.998194
"372275"	1113.200201	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+HCOOH-H"	44.998201
"353972"	1127.215851	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+Hac-H"	59.013851
"1498431"	593.114851	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Hac-H"	59.013851
"969252"	601.081151	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-H+NaCOOH"	66.980151
"118160"	569.070402	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+2Cl"	69.938804
"553346"	836.120902	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+2Cl"	69.938804
"1034175"	302.019902	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2Cl"	69.938804
"1251566"	613.019885	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Br"	78.918885
"1308546"	615.075872	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Cl+HCOOH"	80.974872
"1322763"	637.057829	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Cl+NaCOOH"	102.956829
"927034"	647.086586	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M-H+CF3COOH"	112.985586
"1304162"	683.063264	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Cl+CF3COOH"	148.962264
"1381945"	499.088324	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H-2H2O"	-35.012676
"1396400"	517.0983	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H-H2O"	-17.0027
"297540"	1069.209276	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+H"	1.007276
"690979"	1603.310276	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+H"	1.007276
"1366316"	535.108276	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H"	1.007276
"140863"	535.108276	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+2H"	2.014552
"576937"	802.158776	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+2H"	2.014552
"1051814"	268.057776	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2H"	2.014552
"211451"	357.074609333333	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+3H"	3.021828
"652105"	535.108276	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+3H"	3.021828
"1169136"	179.040942666667	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+3H"	3.021828
"433500"	1086.235823	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+NH4"	18.033823
"794496"	1620.336823	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+NH4"	18.033823
"1689737"	552.134823	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+NH4"	18.033823
"341294"	543.6215495	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+H+NH4"	19.041099
"734809"	810.6720495	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+H+NH4"	19.041099
"1489722"	276.5710495	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H+NH4"	19.041099
"402945"	1091.191218	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+Na"	22.989218
"766125"	1625.292218	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+Na"	22.989218
"1613131"	557.090218	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Na"	22.989218
"320982"	546.099247	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+H+Na"	23.996494
"716683"	813.149747	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+H+Na"	23.996494
"1468317"	279.048747	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H+Na"	23.996494
"1062654"	186.368256666667	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2H+Na"	25.00377
"1262146"	567.134486	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+CH3OH+H"	33.033486
"378897"	1107.165158	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+K"	38.963158
"741718"	1641.266158	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+K"	38.963158
"1544138"	573.064158	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+K"	38.963158
"305325"	554.086217	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+H+K"	39.970434
"697016"	821.136717	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+H+K"	39.970434
"1448282"	287.035717	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H+K"	39.970434
"237613"	1110.235826	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+ACN+H"	42.033826
"1211416"	576.134826	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+ACN+H"	42.033826
"1196394"	288.571051	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+ACN+2H"	43.041102
"195099"	1113.17316	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+2Na-H"	44.97116
"634663"	1647.27416	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+2Na-H"	44.97116
"1137439"	579.07216	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2Na-H"	44.97116
"183645"	557.090218	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+2Na"	45.978436
"626852"	824.140718	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+2Na"	45.978436
"1128898"	290.039718	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2Na"	45.978436
"1409140"	193.695570666667	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H+2Na"	46.985712
"1440164"	581.113746	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H+HCOOH"	47.012746
"230229"	562.12324	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+3H2O+2H"	56.04448
"1519747"	595.16579	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+IsoProp+H"	61.06479
"419798"	565.077188	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+Na+K"	61.952376
"778610"	832.127688	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+Na+K"	61.952376
"1674945"	298.026688	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Na+K"	61.952376
"262924"	1132.217768	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+ACN+Na"	64.015768
"1233080"	598.116768	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+ACN+Na"	64.015768
"1721968"	598.140293	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+NH4+HCOOH"	64.039293
"1186229"	201.022884666667	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+3Na"	68.967654
"1655026"	603.095688	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Na+HCOOH"	68.994688
"161889"	1145.12104	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+2K-H"	76.91904
"599261"	1679.22204	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+2K-H"	76.91904
"1084374"	611.02004	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2K-H"	76.91904
"143017"	573.064158	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"2M+2K"	77.926316
"582090"	840.114658	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"3M+2K"	77.926316
"1068614"	306.013658	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2K"	77.926316
"1099964"	613.034592	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2K+H"	78.933592
"1336928"	613.122207	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+DMSO+H"	79.021207
"1010442"	617.161376	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2ACN+H"	83.060376
"1530757"	618.155008	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+IsoProp+Na+H"	84.054008
"998298"	309.084326	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+2ACN+2H"	84.067652
"1589155"	619.069628	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+K+HCOOH"	84.968628
"1417366"	649.101138	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+H+CF3COOH"	115.000138
"1150935"	329.597601	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+3ACN+2H"	125.094202
"1697932"	666.127685	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+NH4+CF3COOH"	132.026685
"1634434"	671.08308	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+Na+CF3COOH"	136.98208
"1572151"	687.05702	"C10103"	"Luteolin 7-O-(6-malonylglucoside)"	"C24H22O14"	"534.101"	"M+K+CF3COOH"	152.95602
"806530"	462.1162	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M"	0
"983345"	443.09781	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-H2O-H"	-19.01839
"69401"	307.070190666667	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M-3H"	-3.021828
"505681"	461.108924	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M-3H"	-3.021828
"887860"	153.031457333333	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-3H"	-3.021828
"9717"	461.108924	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M-2H"	-2.014552
"445997"	692.167024	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M-2H"	-2.014552
"820151"	230.050824	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-2H"	-2.014552
"80139"	923.225124	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M-H"	-1.007276
"521161"	1385.341324	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M-H"	-1.007276
"900426"	461.108924	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-H"	-1.007276
"51155"	940.251671	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M-2H+NH4"	16.019271
"490350"	1402.367871	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M-2H+NH4"	16.019271
"866694"	478.135471	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-2H+NH4"	16.019271
"34229"	945.207066	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M-2H+Na"	20.974666
"477435"	1407.323266	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M-2H+Na"	20.974666
"852321"	483.090866	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-2H+Na"	20.974666
"1620031"	483.090866	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Na-2H"	20.974666
"105314"	479.097263	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M-H+Cl"	33.962126
"540503"	710.155363	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M-H+Cl"	33.962126
"931831"	248.039163	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-H+Cl"	33.962126
"270018"	959.201802	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+Cl"	34.969402
"674241"	1421.318002	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+Cl"	34.969402
"1283964"	497.085602	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Cl"	34.969402
"24333"	961.181006	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M-2H+K"	36.948606
"469378"	1423.297206	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M-2H+K"	36.948606
"847789"	499.064806	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-2H+K"	36.948606
"1570667"	499.064806	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+K-2H"	36.948606
"955631"	507.114394	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-H+HCOOH"	44.998194
"373481"	969.230601	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+HCOOH-H"	44.998201
"356999"	983.246251	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+Hac-H"	59.013851
"1502915"	521.130051	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Hac-H"	59.013851
"968634"	529.096351	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-H+NaCOOH"	66.980151
"116084"	497.085602	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+2Cl"	69.938804
"553456"	728.143702	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+2Cl"	69.938804
"1034285"	266.027502	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2Cl"	69.938804
"1244021"	541.035085	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Br"	78.918885
"1310842"	543.091072	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Cl+HCOOH"	80.974872
"1322873"	565.073029	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Cl+NaCOOH"	102.956829
"926543"	575.101786	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M-H+CF3COOH"	112.985586
"1303778"	611.078464	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Cl+CF3COOH"	148.962264
"1381448"	427.103524	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H-2H2O"	-35.012676
"1398095"	445.1135	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H-H2O"	-17.0027
"296559"	925.239676	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+H"	1.007276
"690808"	1387.355876	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+H"	1.007276
"1366425"	463.123476	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H"	1.007276
"139312"	463.123476	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+2H"	2.014552
"577047"	694.181576	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+2H"	2.014552
"1049859"	232.065376	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2H"	2.014552
"216301"	309.084742666667	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+3H"	3.021828
"655496"	463.123476	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+3H"	3.021828
"1172528"	155.046009333333	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+3H"	3.021828
"435798"	942.266223	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+NH4"	18.033823
"795699"	1404.382423	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+NH4"	18.033823
"1689847"	480.150023	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+NH4"	18.033823
"341404"	471.6367495	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+H+NH4"	19.041099
"734919"	702.6948495	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+H+NH4"	19.041099
"1488740"	240.5786495	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H+NH4"	19.041099
"403054"	947.221618	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+Na"	22.989218
"761863"	1409.337818	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+Na"	22.989218
"1609961"	485.105418	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Na"	22.989218
"322188"	474.114447	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+H+Na"	23.996494
"707681"	705.172547	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+H+Na"	23.996494
"1469522"	243.056347	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H+Na"	23.996494
"1060578"	162.373323333333	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2H+Na"	25.00377
"1258976"	495.149686	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+CH3OH+H"	33.033486
"378643"	963.195558	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+K"	38.963158
"741828"	1425.311758	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+K"	38.963158
"1543883"	501.079358	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+K"	38.963158
"305068"	482.101417	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+H+K"	39.970434
"696763"	713.159517	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+H+K"	39.970434
"1449853"	251.043317	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H+K"	39.970434
"237359"	966.266226	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+ACN+H"	42.033826
"1210794"	504.150026	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+ACN+H"	42.033826
"1196139"	252.578651	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+ACN+2H"	43.041102
"190105"	969.20356	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+2Na-H"	44.97116
"635138"	1431.31976	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+2Na-H"	44.97116
"1140466"	507.08736	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2Na-H"	44.97116
"181569"	485.105418	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+2Na"	45.978436
"622224"	716.163518	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+2Na"	45.978436
"1124635"	254.047318	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2Na"	45.978436
"1408157"	169.700637333333	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H+2Na"	46.985712
"1438088"	509.128946	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H+HCOOH"	47.012746
"226693"	490.13844	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+3H2O+2H"	56.04448
"1519495"	523.18099	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+IsoProp+H"	61.06479
"419180"	493.092388	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+Na+K"	61.952376
"777626"	724.150488	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+Na+K"	61.952376
"1671778"	262.034288	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Na+K"	61.952376
"258295"	988.248168	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+ACN+Na"	64.015768
"1232097"	526.131968	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+ACN+Na"	64.015768
"1719891"	526.155493	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+NH4+HCOOH"	64.039293
"1185245"	177.027951333333	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+3Na"	68.967654
"1657323"	531.110888	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Na+HCOOH"	68.994688
"163091"	1001.15144	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+2K-H"	76.91904
"600463"	1463.26764	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+2K-H"	76.91904
"1086189"	539.03524	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2K-H"	76.91904
"145071"	501.079358	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"2M+2K"	77.926316
"582442"	732.137458	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"3M+2K"	77.926316
"1068888"	270.021258	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2K"	77.926316
"1100356"	541.049792	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2K+H"	78.933592
"1337037"	541.137407	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+DMSO+H"	79.021207
"1011645"	545.176576	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2ACN+H"	83.060376
"1531961"	546.170208	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+IsoProp+Na+H"	84.054008
"994034"	273.091926	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+2ACN+2H"	84.067652
"1589630"	547.084828	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+K+HCOOH"	84.968628
"1416382"	577.116338	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+H+CF3COOH"	115.000138
"1148129"	293.605201	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+3ACN+2H"	125.094202
"1698042"	594.142885	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+NH4+CF3COOH"	132.026685
"1634219"	599.09828	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+Na+CF3COOH"	136.98208
"1572018"	615.07222	"C10104"	"6-Methoxyluteolin 7-rhamnoside"	"C22H22O11"	"462.1162"	"M+K+CF3COOH"	152.95602
"804454"	302.0427	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M"	0
"984548"	283.02431	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"70604"	200.354524	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"505426"	301.035424	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"883593"	99.673624	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"7640"	301.035424	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"443921"	452.056774	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"818804"	150.014074	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"79763"	603.078124	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"520542"	905.120824	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"898348"	301.035424	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"50536"	620.104671	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"490825"	922.147371	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"866681"	318.061971	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"32272"	625.060066	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"476452"	927.102766	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"852430"	323.017366	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1621234"	323.017366	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"105424"	319.023763	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"540977"	470.045113	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"931941"	168.002413	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"268792"	639.054802	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"674590"	941.097502	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1285167"	337.012102	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"25536"	641.034006	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"469246"	943.076706	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"846559"	338.991306	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1569682"	338.991306	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"956108"	347.040894	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"373590"	649.083601	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"354193"	663.099251	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1499745"	361.056551	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"966192"	369.022851	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"119474"	337.012102	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"554659"	488.033452	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1033302"	185.990752	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1244131"	380.961585	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1306578"	383.017572	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1324076"	404.999529	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"926569"	415.028286	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1302792"	451.004964	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1380829"	267.030024	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1396502"	285.04	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"297762"	605.092676	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"690184"	907.135376	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1366415"	303.049976	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"139421"	303.049976	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"577886"	454.071326	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1052155"	152.028626	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"214951"	202.369076	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"655606"	303.049976	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1171544"	101.688176	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"433721"	622.119223	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"792529"	924.161923	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1689954"	320.076523	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"338234"	311.5632495	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"731749"	462.5845995	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1490672"	160.5418995	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"402071"	627.074618	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"761973"	929.117318	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1613351"	325.031918	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"321204"	314.040947	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"708761"	465.062297	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1469632"	163.019597	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1061781"	109.01549	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1259086"	335.076186	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"382034"	643.048558	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"744124"	945.091258	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1545815"	341.005858	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"302262"	322.027917	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"697966"	473.049267	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1449599"	171.006567	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"237834"	646.119226	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1211389"	344.076526	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1197343"	172.541901	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"190944"	649.05656	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"633790"	951.09926	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1140940"	347.01386	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"184958"	325.031918	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"622333"	476.053268	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1122922"	174.010568	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1409360"	116.342804	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1438197"	349.055446	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"230083"	330.06494	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1520333"	363.10749	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"421477"	333.018888	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"781015"	484.040238	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1670426"	181.997538	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"254758"	668.101168	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1231113"	366.058468	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1717083"	366.081993	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1185352"	123.670118	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1651356"	371.037388	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"164294"	681.00444	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"600573"	983.04714	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1085204"	378.96174	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"145181"	341.005858	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"585836"	492.027208	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1072536"	189.984508	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1100392"	380.976292	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1336905"	381.063907	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1013941"	385.103076	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1528789"	386.096708	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"995237"	193.055176	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1590833"	387.011328	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1416492"	417.042838	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1148239"	213.568451	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1698152"	434.069385	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1635627"	439.02478	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1572128"	454.99872	"C10105"	"Morin;35724-Pentahydroxyflavone;CINatural Yellow 8"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"805657"	420.1573	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M"	0
"982472"	401.13891	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-H2O-H"	-19.01839
"70714"	279.097590666667	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M-3H"	-3.021828
"509183"	419.150024	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M-3H"	-3.021828
"884797"	139.045157333333	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-3H"	-3.021828
"7750"	419.150024	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M-2H"	-2.014552
"442938"	629.228674	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M-2H"	-2.014552
"817212"	209.071374	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-2H"	-2.014552
"79751"	839.307324	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M-H"	-1.007276
"521381"	1259.464624	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M-H"	-1.007276
"897365"	419.150024	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-H"	-1.007276
"50282"	856.333871	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M-2H+NH4"	16.019271
"489114"	1276.491171	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M-2H+NH4"	16.019271
"865942"	436.176571	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-2H+NH4"	16.019271
"32503"	861.289266	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M-2H+Na"	20.974666
"475105"	1281.446566	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M-2H+Na"	20.974666
"852176"	441.131966	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-2H+Na"	20.974666
"1620615"	441.131966	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Na-2H"	20.974666
"96786"	437.138363	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M-H+Cl"	33.962126
"537442"	647.217013	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M-H+Cl"	33.962126
"928518"	227.059713	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-H+Cl"	33.962126
"268530"	875.284002	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+Cl"	34.969402
"675348"	1295.441302	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+Cl"	34.969402
"1285277"	455.126702	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Cl"	34.969402
"25646"	877.263206	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M-2H+K"	36.948606
"470558"	1297.420506	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M-2H+K"	36.948606
"848129"	457.105906	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-2H+K"	36.948606
"1569788"	457.105906	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+K-2H"	36.948606
"957678"	465.155494	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-H+HCOOH"	44.998194
"375889"	885.312801	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+HCOOH-H"	44.998201
"357583"	899.328451	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+Hac-H"	59.013851
"1503135"	479.171151	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Hac-H"	59.013851
"969582"	487.137451	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-H+NaCOOH"	66.980151
"119584"	455.126702	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+2Cl"	69.938804
"554769"	665.205352	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+2Cl"	69.938804
"1034505"	245.048052	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2Cl"	69.938804
"1244241"	499.076185	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Br"	78.918885
"1306686"	501.132172	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Cl+HCOOH"	80.974872
"1326372"	523.114129	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Cl+NaCOOH"	102.956829
"924732"	533.142886	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M-H+CF3COOH"	112.985586
"1301805"	569.119564	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Cl+CF3COOH"	148.962264
"1379601"	385.144624	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H-2H2O"	-35.012676
"1394544"	403.1546	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H-H2O"	-17.0027
"294957"	841.321876	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+H"	1.007276
"686284"	1261.479176	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+H"	1.007276
"1363001"	421.164576	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H"	1.007276
"137711"	421.164576	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+2H"	2.014552
"577268"	631.243226	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+2H"	2.014552
"1049346"	211.085926	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2H"	2.014552
"211781"	281.112142666667	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+3H"	3.021828
"651339"	421.164576	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+3H"	3.021828
"1170557"	141.059709333333	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+3H"	3.021828
"429455"	858.348423	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+NH4"	18.033823
"791545"	1278.505723	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+NH4"	18.033823
"1686055"	438.191123	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+NH4"	18.033823
"333970"	429.6778495	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+H+NH4"	19.041099
"728579"	639.7564995	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+H+NH4"	19.041099
"1488595"	219.5991995	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H+NH4"	19.041099
"398901"	863.303818	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+Na"	22.989218
"760990"	1283.461118	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+Na"	22.989218
"1613461"	443.146518	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Na"	22.989218
"316211"	432.155547	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+H+Na"	23.996494
"710816"	642.234197	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+H+Na"	23.996494
"1467555"	222.076897	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H+Na"	23.996494
"1062984"	148.387023333333	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2H+Na"	25.00377
"1263570"	453.190786	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+CH3OH+H"	33.033486
"382144"	879.277758	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+K"	38.963158
"744234"	1299.435058	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+K"	38.963158
"1545196"	459.120458	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+K"	38.963158
"304559"	440.142517	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+H+K"	39.970434
"695890"	650.221167	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+H+K"	39.970434
"1449342"	230.063867	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H+K"	39.970434
"238672"	882.348426	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+ACN+H"	42.033826
"1211378"	462.191126	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+ACN+H"	42.033826
"1195996"	231.599201	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+ACN+2H"	43.041102
"191054"	885.28576	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+2Na-H"	44.97116
"637180"	1305.44306	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+2Na-H"	44.97116
"1141779"	465.12846	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2Na-H"	44.97116
"184705"	443.146518	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+2Na"	45.978436
"624630"	653.225168	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+2Na"	45.978436
"1125948"	233.067868	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2Na"	45.978436
"1409470"	155.714337333333	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H+2Na"	46.985712
"1440493"	467.170046	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H+HCOOH"	47.012746
"231286"	448.17954	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+3H2O+2H"	56.04448
"1522628"	481.22209	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+IsoProp+H"	61.06479
"422316"	451.133488	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+Na+K"	61.952376
"781125"	661.212138	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+Na+K"	61.952376
"1670536"	241.054838	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Na+K"	61.952376
"254140"	904.330368	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+ACN+Na"	64.015768
"1228671"	484.173068	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+ACN+Na"	64.015768
"1716463"	484.196593	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+NH4+HCOOH"	64.039293
"1185462"	163.041651333333	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+3Na"	68.967654
"1651343"	489.151988	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Na+HCOOH"	68.994688
"163310"	917.23364	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+2K-H"	76.91904
"598980"	1337.39094	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+2K-H"	76.91904
"1084580"	497.07634	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2K-H"	76.91904
"142007"	459.120458	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"2M+2K"	77.926316
"585945"	669.199108	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"3M+2K"	77.926316
"1073739"	249.041808	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2K"	77.926316
"1100503"	499.090892	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2K+H"	78.933592
"1337015"	499.178507	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+DMSO+H"	79.021207
"1014051"	503.217676	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2ACN+H"	83.060376
"1531085"	504.211308	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+IsoProp+Na+H"	84.054008
"998626"	252.112476	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+2ACN+2H"	84.067652
"1589850"	505.125928	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+K+HCOOH"	84.968628
"1414658"	535.157438	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+H+CF3COOH"	115.000138
"1147132"	272.625751	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+3ACN+2H"	125.094202
"1698262"	552.183985	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+NH4+CF3COOH"	132.026685
"1635006"	557.13938	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+Na+CF3COOH"	136.98208
"1571343"	573.11332	"C10106"	"Morusin"	"C25H24O6"	"420.1573"	"M+K+CF3COOH"	152.95602
"804674"	318.0376	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M"	0
"983675"	299.01921	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H2O-H"	-19.01839
"69731"	211.017790666667	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-3H"	-3.021828
"510386"	317.030324	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-3H"	-3.021828
"882720"	105.005257333333	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-3H"	-3.021828
"7861"	317.030324	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H"	-2.014552
"444137"	476.049124	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H"	-2.014552
"818293"	158.011524	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H"	-2.014552
"84117"	635.067924	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-H"	-1.007276
"523677"	953.105524	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-H"	-1.007276
"898565"	317.030324	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H"	-1.007276
"50025"	652.094471	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H+NH4"	16.019271
"488977"	970.132071	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H+NH4"	16.019271
"865443"	334.056871	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H+NH4"	16.019271
"32044"	657.049866	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H+Na"	20.974666
"472174"	975.087466	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H+Na"	20.974666
"849082"	339.012266	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H+Na"	20.974666
"1618505"	339.012266	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na-2H"	20.974666
"96525"	335.018663	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-H+Cl"	33.962126
"538645"	494.037463	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-H+Cl"	33.962126
"928508"	175.999863	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+Cl"	33.962126
"268520"	671.044602	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Cl"	34.969402
"668608"	989.082202	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+Cl"	34.969402
"1286481"	353.007002	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl"	34.969402
"25756"	673.023806	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M-2H+K"	36.948606
"469696"	991.061406	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M-2H+K"	36.948606
"848196"	354.986206	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-2H+K"	36.948606
"1568805"	354.986206	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K-2H"	36.948606
"958234"	363.035794	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+HCOOH"	44.998194
"374904"	681.073401	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+HCOOH-H"	44.998201
"355505"	695.089051	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Hac-H"	59.013851
"1497777"	377.051451	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Hac-H"	59.013851
"966412"	385.017751	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+NaCOOH"	66.980151
"113133"	353.007002	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2Cl"	69.938804
"553786"	512.025802	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2Cl"	69.938804
"1022585"	193.988202	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2Cl"	69.938804
"1243258"	396.956485	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Br"	78.918885
"1304293"	399.012472	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl+HCOOH"	80.974872
"1326482"	420.994429	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl+NaCOOH"	102.956829
"924841"	431.023186	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M-H+CF3COOH"	112.985586
"1302277"	466.999864	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Cl+CF3COOH"	148.962264
"1378615"	283.024924	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H-2H2O"	-35.012676
"1395383"	301.0349	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H-H2O"	-17.0027
"295067"	637.082476	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H"	1.007276
"685300"	955.120076	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H"	1.007276
"1363838"	319.044876	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H"	1.007276
"137455"	319.044876	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2H"	2.014552
"577014"	478.063676	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2H"	2.014552
"1049824"	160.026076	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2H"	2.014552
"209704"	213.032342666667	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+3H"	3.021828
"650356"	319.044876	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+3H"	3.021828
"1167751"	107.019809333333	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+3H"	3.021828
"429201"	654.109023	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+NH4"	18.033823
"789468"	972.146623	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+NH4"	18.033823
"1685801"	336.071423	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+NH4"	18.033823
"332987"	327.5581495	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H+NH4"	19.041099
"727595"	486.5769495	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H+NH4"	19.041099
"1484695"	168.5393495	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+NH4"	19.041099
"396459"	659.064418	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Na"	22.989218
"762193"	977.102018	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+Na"	22.989218
"1610291"	341.026818	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na"	22.989218
"319234"	330.035847	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H+Na"	23.996494
"707400"	489.054647	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H+Na"	23.996494
"1470942"	171.017047	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+Na"	23.996494
"1062001"	114.347123333333	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2H+Na"	25.00377
"1263680"	351.071086	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+CH3OH+H"	33.033486
"378608"	675.038358	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+K"	38.963158
"743250"	993.075958	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+K"	38.963158
"1543118"	357.000758	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K"	38.963158
"305762"	338.022817	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+H+K"	39.970434
"697090"	497.041617	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+H+K"	39.970434
"1453095"	179.004017	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+K"	39.970434
"237324"	678.109026	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+ACN+H"	42.033826
"1211490"	360.071426	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+ACN+H"	42.033826
"1195005"	180.539351	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+ACN+2H"	43.041102
"191163"	681.04636	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2Na-H"	44.97116
"632184"	999.08396	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2Na-H"	44.97116
"1134595"	363.00876	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2Na-H"	44.97116
"180804"	341.026818	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2Na"	45.978436
"622552"	500.045618	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2Na"	45.978436
"1127150"	182.008018	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2Na"	45.978436
"1407393"	121.674437333333	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+2Na"	46.985712
"1440604"	365.050346	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+HCOOH"	47.012746
"222648"	346.05984	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+3H2O+2H"	56.04448
"1520553"	379.10239	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+IsoProp+H"	61.06479
"420238"	349.013788	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+Na+K"	61.952376
"776860"	508.032588	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+Na+K"	61.952376
"1667728"	189.994988	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na+K"	61.952376
"252790"	700.090968	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+ACN+Na"	64.015768
"1230966"	382.053368	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+ACN+Na"	64.015768
"1714385"	382.076893	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+NH4+HCOOH"	64.039293
"1181561"	129.001751333333	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+3Na"	68.967654
"1651452"	387.032288	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na+HCOOH"	68.994688
"161232"	712.99424	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2K-H"	76.91904
"598969"	1031.03184	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2K-H"	76.91904
"1087856"	394.95664	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2K-H"	76.91904
"145402"	357.000758	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"2M+2K"	77.926316
"583139"	516.019558	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"3M+2K"	77.926316
"1073849"	197.981958	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2K"	77.926316
"1099963"	396.971192	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2K+H"	78.933592
"1337004"	397.058807	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+DMSO+H"	79.021207
"1011974"	401.097976	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2ACN+H"	83.060376
"1531195"	402.091608	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+IsoProp+Na+H"	84.054008
"998736"	201.052626	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+2ACN+2H"	84.067652
"1589960"	403.006228	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K+HCOOH"	84.968628
"1415254"	433.037738	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+H+CF3COOH"	115.000138
"1147485"	221.565901	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+3ACN+2H"	125.094202
"1698737"	450.064285	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+NH4+CF3COOH"	132.026685
"1634749"	455.01968	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+Na+CF3COOH"	136.98208
"1572221"	470.99362	"C10107"	"Myricetin;357345-Hexahydroxyflavone"	"C15H10O8"	"318.0376"	"M+K+CF3COOH"	152.95602
"815726"	464.0955	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M"	0
"989133"	445.07711	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-H2O-H"	-19.01839
"75309"	308.389724	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M-3H"	-3.021828
"511589"	463.088224	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M-3H"	-3.021828
"887203"	153.691224	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-3H"	-3.021828
"11250"	463.088224	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H"	-2.014552
"445340"	695.135974	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H"	-2.014552
"822051"	231.040474	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H"	-2.014552
"84229"	927.183724	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M-H"	-1.007276
"528163"	1391.279224	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M-H"	-1.007276
"900863"	463.088224	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-H"	-1.007276
"52323"	944.210271	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H+NH4"	16.019271
"491154"	1408.305771	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H+NH4"	16.019271
"870047"	480.114771	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H+NH4"	16.019271
"35760"	949.165666	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H+Na"	20.974666
"473865"	1413.261166	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H+Na"	20.974666
"852760"	485.070166	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H+Na"	20.974666
"1621932"	485.070166	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na-2H"	20.974666
"100288"	481.076563	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M-H+Cl"	33.962126
"537662"	713.124313	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M-H+Cl"	33.962126
"929346"	249.028813	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+Cl"	33.962126
"268632"	963.160402	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Cl"	34.969402
"668718"	1427.255902	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+Cl"	34.969402
"1282217"	499.064902	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl"	34.969402
"24773"	965.139606	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M-2H+K"	36.948606
"469441"	1429.235106	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M-2H+K"	36.948606
"848185"	501.044106	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-2H+K"	36.948606
"1568915"	501.044106	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+K-2H"	36.948606
"958017"	509.093694	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+HCOOH"	44.998194
"375989"	973.189201	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+HCOOH-H"	44.998201
"357803"	987.204851	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Hac-H"	59.013851
"1496794"	523.109351	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Hac-H"	59.013851
"967615"	531.075651	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+NaCOOH"	66.980151
"119804"	499.064902	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2Cl"	69.938804
"553896"	731.112652	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2Cl"	69.938804
"1023059"	267.017152	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2Cl"	69.938804
"1243368"	543.014385	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Br"	78.918885
"1304717"	545.070372	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl+HCOOH"	80.974872
"1325499"	567.052329	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl+NaCOOH"	102.956829
"924953"	577.081086	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M-H+CF3COOH"	112.985586
"1302751"	613.057764	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Cl+CF3COOH"	148.962264
"1380548"	429.082824	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H-2H2O"	-35.012676
"1395127"	447.0928	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H-H2O"	-17.0027
"297000"	929.198276	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H"	1.007276
"684317"	1393.293776	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H"	1.007276
"1360665"	465.102776	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H"	1.007276
"136470"	465.102776	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2H"	2.014552
"575300"	697.150526	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2H"	2.014552
"1049570"	233.055026	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2H"	2.014552
"215278"	310.404276	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+3H"	3.021828
"655932"	465.102776	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+3H"	3.021828
"1170778"	155.705776	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+3H"	3.021828
"439038"	946.224823	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+NH4"	18.033823
"792129"	1410.320323	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+NH4"	18.033823
"1688097"	482.129323	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+NH4"	18.033823
"335282"	473.6160495	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H+NH4"	19.041099
"730985"	705.6637995	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H+NH4"	19.041099
"1481525"	241.5682995	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+NH4"	19.041099
"397298"	951.180218	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Na"	22.989218
"761207"	1415.275718	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+Na"	22.989218
"1609307"	487.084718	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na"	22.989218
"323720"	476.093747	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H+Na"	23.996494
"712860"	708.141497	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H+Na"	23.996494
"1469959"	244.045997	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+Na"	23.996494
"1059923"	163.03309	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2H+Na"	25.00377
"1259781"	497.128986	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+CH3OH+H"	33.033486
"378718"	967.154158	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+K"	38.963158
"743360"	1431.249658	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+K"	38.963158
"1546509"	503.058658	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+K"	38.963158
"304779"	484.080717	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+H+K"	39.970434
"695012"	716.128467	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+H+K"	39.970434
"1448831"	252.032967	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+K"	39.970434
"236703"	970.224826	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+ACN+H"	42.033826
"1211961"	506.129326	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+ACN+H"	42.033826
"1195116"	253.568301	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+ACN+2H"	43.041102
"189329"	973.16216	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2Na-H"	44.97116
"631557"	1437.25766	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2Na-H"	44.97116
"1134698"	509.06666	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2Na-H"	44.97116
"176903"	487.084718	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2Na"	45.978436
"620475"	719.132468	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2Na"	45.978436
"1122887"	255.036968	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2Na"	45.978436
"1403130"	170.360404	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+2Na"	46.985712
"1439621"	511.108246	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+HCOOH"	47.012746
"224946"	492.11774	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+3H2O+2H"	56.04448
"1519568"	525.16029	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+IsoProp+H"	61.06479
"420347"	495.071688	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+Na+K"	61.952376
"780252"	727.119438	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+Na+K"	61.952376
"1668567"	263.023938	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na+K"	61.952376
"254722"	992.206768	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+ACN+Na"	64.015768
"1227792"	528.111268	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+ACN+Na"	64.015768
"1714489"	528.134793	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+NH4+HCOOH"	64.039293
"1182036"	177.687718	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+3Na"	68.967654
"1654481"	533.090188	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na+HCOOH"	68.994688
"162437"	1005.11004	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2K-H"	76.91904
"601996"	1469.20554	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2K-H"	76.91904
"1089060"	541.01454	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2K-H"	76.91904
"144418"	503.058658	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"2M+2K"	77.926316
"583979"	735.106408	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"3M+2K"	77.926316
"1068973"	271.010908	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2K"	77.926316
"1100602"	543.029092	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2K+H"	78.933592
"1346835"	543.116707	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+DMSO+H"	79.021207
"1016460"	547.155876	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2ACN+H"	83.060376
"1530211"	548.149508	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+IsoProp+Na+H"	84.054008
"994472"	274.081576	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+2ACN+2H"	84.067652
"1592256"	549.064128	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+K+HCOOH"	84.968628
"1417917"	579.095638	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+H+CF3COOH"	115.000138
"1148206"	294.594851	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+3ACN+2H"	125.094202
"1697754"	596.122185	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+NH4+CF3COOH"	132.026685
"1635226"	601.07758	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+Na+CF3COOH"	136.98208
"1581087"	617.05152	"C10108"	"Myricitrin;Myricetin 3-O-rhamnoside"	"C21H20O12"	"464.0955"	"M+K+CF3COOH"	152.95602
"808174"	580.1428	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M"	0
"986084"	561.12441	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-H2O-H"	-19.01839
"72139"	385.754590666667	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M-3H"	-3.021828
"507326"	579.135524	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M-3H"	-3.021828
"885127"	192.373657333333	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-3H"	-3.021828
"3700"	579.135524	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M-2H"	-2.014552
"445450"	869.206924	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M-2H"	-2.014552
"824348"	289.064124	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-2H"	-2.014552
"83243"	1159.278324	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M-H"	-1.007276
"523897"	1739.421124	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M-H"	-1.007276
"899150"	579.135524	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-H"	-1.007276
"51704"	1176.304871	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M-2H+NH4"	16.019271
"490534"	1756.447671	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M-2H+NH4"	16.019271
"869064"	596.162071	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-2H+NH4"	16.019271
"35870"	1181.260266	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M-2H+Na"	20.974666
"474339"	1761.403066	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M-2H+Na"	20.974666
"853599"	601.117466	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-2H+Na"	20.974666
"1619855"	601.117466	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Na-2H"	20.974666
"98571"	597.123863	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M-H+Cl"	33.962126
"538866"	887.195263	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M-H+Cl"	33.962126
"929825"	307.052463	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-H+Cl"	33.962126
"268741"	1195.255002	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+Cl"	34.969402
"668828"	1775.397802	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+Cl"	34.969402
"1283421"	615.112202	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Cl"	34.969402
"24883"	1197.234206	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M-2H+K"	36.948606
"469551"	1777.377006	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M-2H+K"	36.948606
"846999"	617.091406	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-2H+K"	36.948606
"1570120"	617.091406	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+K-2H"	36.948606
"954360"	625.140994	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-H+HCOOH"	44.998194
"375491"	1205.283801	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+HCOOH-H"	44.998201
"357913"	1219.299451	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+Hac-H"	59.013851
"1497997"	639.156651	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Hac-H"	59.013851
"967725"	647.122951	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-H+NaCOOH"	66.980151
"118821"	615.112202	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+2Cl"	69.938804
"555098"	905.183602	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+2Cl"	69.938804
"1024991"	325.040802	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2Cl"	69.938804
"1243599"	659.061685	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Br"	78.918885
"1307017"	661.117672	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Cl+HCOOH"	80.974872
"1324516"	683.099629	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Cl+NaCOOH"	102.956829
"926763"	693.128386	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M-H+CF3COOH"	112.985586
"1302860"	729.105064	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Cl+CF3COOH"	148.962264
"1379565"	545.130124	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H-2H2O"	-35.012676
"1396697"	563.1401	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H-H2O"	-17.0027
"296745"	1161.292876	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+H"	1.007276
"684427"	1741.435676	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+H"	1.007276
"1359681"	581.150076	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H"	1.007276
"135851"	581.150076	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+2H"	2.014552
"575410"	871.221476	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+2H"	2.014552
"1050772"	291.078676	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2H"	2.014552
"215388"	387.769142666667	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+3H"	3.021828
"658233"	581.150076	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+3H"	3.021828
"1173074"	194.388209333333	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+3H"	3.021828
"439670"	1178.319423	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+NH4"	18.033823
"791875"	1758.462223	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+NH4"	18.033823
"1689299"	598.176623	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+NH4"	18.033823
"333934"	589.6633495	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+H+NH4"	19.041099
"730002"	879.7347495	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+H+NH4"	19.041099
"1480541"	299.5919495	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H+NH4"	19.041099
"396678"	1183.274818	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+Na"	22.989218
"763504"	1763.417618	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+Na"	22.989218
"1610510"	603.132018	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Na"	22.989218
"322733"	592.141047	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+H+Na"	23.996494
"715155"	882.212447	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+H+Na"	23.996494
"1471162"	302.069647	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H+Na"	23.996494
"1054321"	201.715523333333	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2H+Na"	25.00377
"1258432"	613.176286	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+CH3OH+H"	33.033486
"377526"	1199.248758	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+K"	38.963158
"742012"	1779.391558	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+K"	38.963158
"1546620"	619.105958	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+K"	38.963158
"305982"	600.128017	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+H+K"	39.970434
"695122"	890.199417	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+H+K"	39.970434
"1448941"	310.056617	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H+K"	39.970434
"238272"	1202.319426	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+ACN+H"	42.033826
"1211343"	622.176626	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+ACN+H"	42.033826
"1194982"	311.591951	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+ACN+2H"	43.041102
"191017"	1205.25676	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+2Na-H"	44.97116
"631670"	1785.39956	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+2Na-H"	44.97116
"1134809"	625.11396	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2Na-H"	44.97116
"182118"	603.132018	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+2Na"	45.978436
"620585"	893.203418	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+2Na"	45.978436
"1125184"	313.060618	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2Na"	45.978436
"1403240"	209.042837333333	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H+2Na"	46.985712
"1438638"	627.155546	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H+HCOOH"	47.012746
"226149"	608.16504	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+3H2O+2H"	56.04448
"1519678"	641.20759	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+IsoProp+H"	61.06479
"417176"	611.118988	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+Na+K"	61.952376
"775987"	901.190388	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+Na+K"	61.952376
"1666611"	321.047588	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Na+K"	61.952376
"255561"	1224.301368	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+ACN+Na"	64.015768
"1228271"	644.158568	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+ACN+Na"	64.015768
"1715327"	644.182093	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+NH4+HCOOH"	64.039293
"1180324"	216.370151333333	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+3Na"	68.967654
"1650297"	649.137488	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Na+HCOOH"	68.994688
"157605"	1237.20464	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+2K-H"	76.91904
"602105"	1817.34744	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+2K-H"	76.91904
"1089899"	657.06184	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2K-H"	76.91904
"141976"	619.105958	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"2M+2K"	77.926316
"581384"	909.177358	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"3M+2K"	77.926316
"1069207"	329.034558	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2K"	77.926316
"1101080"	659.076392	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2K+H"	78.933592
"1337225"	659.164007	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+DMSO+H"	79.021207
"1017663"	663.203176	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2ACN+H"	83.060376
"1530321"	664.196808	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+IsoProp+Na+H"	84.054008
"994582"	332.105226	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+2ACN+2H"	84.067652
"1592366"	665.111428	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+K+HCOOH"	84.968628
"1418026"	695.142938	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+H+CF3COOH"	115.000138
"1148316"	352.618501	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+3ACN+2H"	125.094202
"1697622"	712.169485	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+NH4+CF3COOH"	132.026685
"1634606"	717.12488	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+Na+CF3COOH"	136.98208
"1581197"	733.09882	"C10109"	"Neocarlinoside"	"C26H28O15"	"580.1428"	"M+K+CF3COOH"	152.95602
"808284"	564.1479	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M"	0
"985101"	545.12951	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-H2O-H"	-19.01839
"67875"	375.091324	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M-3H"	-3.021828
"505249"	563.140624	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M-3H"	-3.021828
"883050"	187.042024	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-3H"	-3.021828
"4903"	563.140624	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M-2H"	-2.014552
"445560"	845.214574	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M-2H"	-2.014552
"826646"	281.066674	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-2H"	-2.014552
"89916"	1127.288524	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M-H"	-1.007276
"526196"	1691.436424	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M-H"	-1.007276
"901815"	563.140624	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-H"	-1.007276
"57284"	1144.315071	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M-2H+NH4"	16.019271
"491737"	1708.462971	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M-2H+NH4"	16.019271
"870634"	580.167171	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-2H+NH4"	16.019271
"37076"	1149.270466	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M-2H+Na"	20.974666
"474450"	1713.418366	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M-2H+Na"	20.974666
"854803"	585.122566	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-2H+Na"	20.974666
"1624339"	585.122566	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Na-2H"	20.974666
"98315"	581.128963	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M-H+Cl"	33.962126
"538975"	863.202913	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M-H+Cl"	33.962126
"930297"	299.055013	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-H+Cl"	33.962126
"271039"	1163.265202	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+Cl"	34.969402
"668938"	1727.413102	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+Cl"	34.969402
"1282436"	599.117302	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Cl"	34.969402
"19524"	1165.244406	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M-2H+K"	36.948606
"464554"	1729.392306	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M-2H+K"	36.948606
"847962"	601.096506	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-2H+K"	36.948606
"1571086"	601.096506	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+K-2H"	36.948606
"955927"	609.146094	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-H+HCOOH"	44.998194
"375235"	1173.294001	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+HCOOH-H"	44.998201
"359116"	1187.309651	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+Hac-H"	59.013851
"1499200"	623.161751	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Hac-H"	59.013851
"967835"	631.128051	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-H+NaCOOH"	66.980151
"117836"	599.117302	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+2Cl"	69.938804
"556301"	881.191252	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+2Cl"	69.938804
"1026194"	317.043352	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2Cl"	69.938804
"1247960"	643.066785	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Br"	78.918885
"1308220"	645.122772	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Cl+HCOOH"	80.974872
"1327905"	667.104729	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Cl+NaCOOH"	102.956829
"925900"	677.133486	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M-H+CF3COOH"	112.985586
"1300782"	713.110164	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Cl+CF3COOH"	148.962264
"1379309"	529.135224	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H-2H2O"	-35.012676
"1393524"	547.1452	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H-H2O"	-17.0027
"291022"	1129.303076	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+H"	1.007276
"684537"	1693.450976	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+H"	1.007276
"1361979"	565.155176	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H"	1.007276
"132680"	565.155176	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+2H"	2.014552
"574426"	847.229126	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+2H"	2.014552
"1050518"	283.081226	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2H"	2.014552
"215499"	377.105876	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+3H"	3.021828
"658706"	565.155176	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+3H"	3.021828
"1170999"	189.056576	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+3H"	3.021828
"434271"	1146.329623	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+NH4"	18.033823
"791986"	1710.477523	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+NH4"	18.033823
"1691598"	582.181723	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+NH4"	18.033823
"334409"	573.6684495	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+H+NH4"	19.041099
"726465"	855.7423995	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+H+NH4"	19.041099
"1480651"	291.5944995	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H+NH4"	19.041099
"399341"	1151.285018	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+Na"	22.989218
"764709"	1715.432918	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+Na"	22.989218
"1613902"	587.137118	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Na"	22.989218
"322844"	576.146147	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+H+Na"	23.996494
"714172"	858.220097	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+H+Na"	23.996494
"1470179"	294.072197	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H+Na"	23.996494
"1054310"	196.38389	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2H+Na"	25.00377
"1259637"	597.181386	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+CH3OH+H"	33.033486
"377355"	1167.258958	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+K"	38.963158
"741758"	1731.406858	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+K"	38.963158
"1543451"	603.111058	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+K"	38.963158
"305000"	584.133117	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+H+K"	39.970434
"696326"	866.207067	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+H+K"	39.970434
"1449415"	302.059167	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H+K"	39.970434
"236559"	1170.329626	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+ACN+H"	42.033826
"1211208"	606.181726	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+ACN+H"	42.033826
"1195212"	303.594501	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+ACN+2H"	43.041102
"190400"	1173.26696	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+2Na-H"	44.97116
"630689"	1737.41486	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+2Na-H"	44.97116
"1132855"	609.11906	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2Na-H"	44.97116
"184414"	587.137118	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+2Na"	45.978436
"621788"	869.211068	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+2Na"	45.978436
"1127480"	305.063168	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2Na"	45.978436
"1408816"	203.711204	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H+2Na"	46.985712
"1439841"	611.160646	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H+HCOOH"	47.012746
"232822"	592.17014	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+3H2O+2H"	56.04448
"1522828"	625.21269	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+IsoProp+H"	61.06479
"417286"	595.124088	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+Na+K"	61.952376
"779377"	877.198038	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+Na+K"	61.952376
"1669516"	313.050138	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Na+K"	61.952376
"257858"	1192.311568	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+ACN+Na"	64.015768
"1229474"	628.163668	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+ACN+Na"	64.015768
"1713983"	628.187193	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+NH4+HCOOH"	64.039293
"1180798"	211.038518	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+3Na"	68.967654
"1650327"	633.142588	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Na+HCOOH"	68.994688
"161563"	1205.21484	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+2K-H"	76.91904
"602217"	1769.36274	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+2K-H"	76.91904
"1088916"	641.06694	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2K-H"	76.91904
"144639"	603.111058	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"2M+2K"	77.926316
"582012"	885.185008	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"3M+2K"	77.926316
"1069804"	321.037108	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2K"	77.926316
"1100700"	643.081492	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2K+H"	78.933592
"1338307"	643.169107	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+DMSO+H"	79.021207
"1018746"	647.208276	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2ACN+H"	83.060376
"1530432"	648.201908	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+IsoProp+Na+H"	84.054008
"996880"	324.107776	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+2ACN+2H"	84.067652
"1592476"	649.116528	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+K+HCOOH"	84.968628
"1418136"	679.148038	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+H+CF3COOH"	115.000138
"1148426"	344.621051	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+3ACN+2H"	125.094202
"1697976"	696.174585	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+NH4+CF3COOH"	132.026685
"1635081"	701.12998	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+Na+CF3COOH"	136.98208
"1581307"	717.10392	"C10110"	"Neoschaftoside"	"C26H28O14"	"564.1479"	"M+K+CF3COOH"	152.95602
"808394"	344.0896	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M"	0
"986303"	325.07121	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"71265"	228.385790666667	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"508638"	343.082324	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"882066"	113.689257333333	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"2215"	343.082324	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"444577"	515.127124	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"822383"	171.037524	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"84561"	687.171924	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"525213"	1031.261524	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"899738"	343.082324	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"50100"	704.198471	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"490754"	1048.288071	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"867463"	360.108871	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"34634"	709.153866	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"473709"	1053.243466	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"850052"	365.064266	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1622991"	365.064266	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"95143"	361.070663	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"539085"	533.115463	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"928827"	189.025863	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"269327"	723.148602	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"671234"	1067.238202	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1283639"	379.059002	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"20727"	725.127806	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"465757"	1069.217406	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"847586"	381.038206	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1570345"	381.038206	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"957378"	389.087794	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"375345"	733.177401	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"358862"	747.193051	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1501496"	403.103451	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"964663"	411.069751	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"114664"	379.059002	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"556411"	551.103802	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1026304"	207.014202	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1248070"	423.008485	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1305535"	425.064472	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1322546"	447.046429	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"926013"	457.075186	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1301256"	493.051864	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1378691"	309.076924	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1394729"	327.0869	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"291132"	689.186476	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"682459"	1033.276076	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1361725"	345.096876	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"137163"	345.096876	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"570162"	517.141676	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1050624"	173.052076	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"211235"	230.400342666667	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"656992"	345.096876	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1170015"	115.703809333333	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"434380"	706.213023	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"794283"	1050.302623	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1687334"	362.123423	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"336706"	353.6101495	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"726211"	525.6549495	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1479668"	181.5653495	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"395077"	711.168418	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"756072"	1055.258018	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1606722"	367.078818	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"317851"	356.087847	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"709542"	528.132647	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1461902"	184.043047	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1054541"	123.031123333333	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1257308"	377.123086	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"377825"	727.142358	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"741868"	1071.231958	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1546841"	383.052758	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"306203"	364.074817	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"694978"	536.119617	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1448430"	192.030017	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"238126"	730.213026	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1210590"	386.123426	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1195200"	193.565351	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"192695"	733.15036	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"631527"	1077.23996	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1133934"	389.06076	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"176137"	367.078818	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"617884"	539.123618	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1120660"	195.034018	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1403458"	130.358437333333	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1439951"	391.102346	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"232931"	372.11184	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1521721"	405.15439	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"412656"	375.065788	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"782766"	547.110588	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1669626"	203.020988	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"257968"	752.194968	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1230678"	408.105368	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1713970"	408.128893	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1181637"	137.685751333333	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1652258"	413.084288	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"161672"	765.09824	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"602325"	1109.18784	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1087932"	421.00864	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"142925"	383.052758	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"582118"	555.097558	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1070156"	211.007958	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1100562"	423.023192	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1339510"	423.110807	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1019949"	427.149976	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1531635"	428.143608	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"998083"	214.078626	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1595867"	429.058228	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1418246"	459.089738	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1148290"	234.591901	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1697963"	476.116285	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1635920"	481.07168	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1581417"	497.04562	"C10111"	"Nevadensin"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"808504"	402.1315	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M"	0
"982040"	383.11311	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-H2O-H"	-19.01839
"65908"	267.080390666667	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M-3H"	-3.021828
"508749"	401.124224	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M-3H"	-3.021828
"885457"	133.036557333333	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-3H"	-3.021828
"7312"	401.124224	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M-2H"	-2.014552
"444687"	602.189974	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M-2H"	-2.014552
"821764"	200.058474	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-2H"	-2.014552
"83576"	803.255724	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M-H"	-1.007276
"524229"	1205.387224	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M-H"	-1.007276
"897295"	401.124224	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-H"	-1.007276
"48022"	820.282271	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M-2H+NH4"	16.019271
"490864"	1222.413771	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M-2H+NH4"	16.019271
"869761"	418.150771	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-2H+NH4"	16.019271
"32558"	825.237666	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M-2H+Na"	20.974666
"472484"	1227.369166	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M-2H+Na"	20.974666
"849069"	423.106166	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-2H+Na"	20.974666
"1622008"	423.106166	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Na-2H"	20.974666
"94400"	419.112563	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M-H+Cl"	33.962126
"534368"	620.178313	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M-H+Cl"	33.962126
"927231"	218.046813	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-H+Cl"	33.962126
"273448"	839.232402	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+Cl"	34.969402
"665875"	1241.363902	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+Cl"	34.969402
"1280467"	437.100902	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Cl"	34.969402
"18648"	841.211606	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M-2H+K"	36.948606
"466960"	1243.343106	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M-2H+K"	36.948606
"845861"	439.080106	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-2H+K"	36.948606
"1567160"	439.080106	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+K-2H"	36.948606
"957488"	447.129694	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-H+HCOOH"	44.998194
"375457"	849.261201	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+HCOOH-H"	44.998201
"358972"	863.276851	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+Hac-H"	59.013851
"1508008"	461.145351	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Hac-H"	59.013851
"966961"	469.111651	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-H+NaCOOH"	66.980151
"115868"	437.100902	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+2Cl"	69.938804
"556522"	638.166652	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+2Cl"	69.938804
"1026414"	236.035152	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2Cl"	69.938804
"1248180"	481.050385	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Br"	78.918885
"1307347"	483.106372	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Cl+HCOOH"	80.974872
"1324843"	505.088329	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Cl+NaCOOH"	102.956829
"926123"	515.117086	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M-H+CF3COOH"	112.985586
"1299545"	551.093764	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Cl+CF3COOH"	148.962264
"1378801"	367.118824	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H-2H2O"	-35.012676
"1394840"	385.1288	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H-H2O"	-17.0027
"293429"	805.270276	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+H"	1.007276
"686943"	1207.401776	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+H"	1.007276
"1357824"	403.138776	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H"	1.007276
"135086"	403.138776	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+2H"	2.014552
"572459"	604.204526	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+2H"	2.014552
"1050006"	202.073026	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2H"	2.014552
"213532"	269.094942666667	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+3H"	3.021828
"656372"	403.138776	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+3H"	3.021828
"1172311"	135.051109333333	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+3H"	3.021828
"433397"	822.296823	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+NH4"	18.033823
"793299"	1224.428323	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+NH4"	18.033823
"1687444"	420.165323	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+NH4"	18.033823
"340095"	411.6520495	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+H+NH4"	19.041099
"729235"	612.7177995	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+H+NH4"	19.041099
"1478683"	210.5862995	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H+NH4"	19.041099
"398467"	827.252218	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+Na"	22.989218
"759462"	1229.383718	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+Na"	22.989218
"1610844"	425.120718	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Na"	22.989218
"316503"	414.129747	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+H+Na"	23.996494
"710382"	615.195497	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+H+Na"	23.996494
"1465296"	213.063997	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H+Na"	23.996494
"1052828"	142.378423333333	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2H+Na"	25.00377
"1258761"	435.164986	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+CH3OH+H"	33.033486
"377279"	843.226158	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+K"	38.963158
"744894"	1245.357658	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+K"	38.963158
"1546952"	441.094658	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+K"	38.963158
"306313"	422.116717	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+H+K"	39.970434
"695818"	623.182467	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+H+K"	39.970434
"1448545"	221.050967	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H+K"	39.970434
"236780"	846.296826	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+ACN+H"	42.033826
"1210946"	444.165326	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+ACN+H"	42.033826
"1195920"	222.586301	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+ACN+2H"	43.041102
"193902"	849.23416	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+2Na-H"	44.97116
"631273"	1251.36566	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+2Na-H"	44.97116
"1131981"	447.10266	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2Na-H"	44.97116
"176247"	425.120718	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+2Na"	45.978436
"617630"	626.186468	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+2Na"	45.978436
"1121135"	224.054968	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2Na"	45.978436
"1403568"	149.705737333333	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H+2Na"	46.985712
"1437875"	449.144246	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H+HCOOH"	47.012746
"232676"	430.15374	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+3H2O+2H"	56.04448
"1518915"	463.19629	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+IsoProp+H"	61.06479
"417506"	433.107688	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+Na+K"	61.952376
"774130"	634.173438	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+Na+K"	61.952376
"1669736"	232.041938	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Na+K"	61.952376
"253339"	868.278768	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+ACN+Na"	64.015768
"1231152"	466.147268	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+ACN+Na"	64.015768
"1719674"	466.170793	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+NH4+HCOOH"	64.039293
"1183934"	157.033051333333	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+3Na"	68.967654
"1654920"	471.126188	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Na+HCOOH"	68.994688
"161781"	881.18204	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+2K-H"	76.91904
"602435"	1283.31354	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+2K-H"	76.91904
"1089135"	479.05054	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2K-H"	76.91904
"143035"	441.094658	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"2M+2K"	77.926316
"582473"	642.160408	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"3M+2K"	77.926316
"1073303"	240.028908	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2K"	77.926316
"1102258"	481.065092	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2K+H"	78.933592
"1340713"	481.152707	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+DMSO+H"	79.021207
"1014712"	485.191876	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2ACN+H"	83.060376
"1531745"	486.185508	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+IsoProp+Na+H"	84.054008
"998193"	243.099576	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+2ACN+2H"	84.067652
"1595977"	487.100128	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+K+HCOOH"	84.968628
"1418356"	517.131638	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+H+CF3COOH"	115.000138
"1149371"	263.612851	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+3ACN+2H"	125.094202
"1698196"	534.158185	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+NH4+CF3COOH"	132.026685
"1636395"	539.11358	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+Na+CF3COOH"	136.98208
"1581527"	555.08752	"C10112"	"Nobiletin;Hexamethoxyflavone;567834-Hexamethoxyflavone"	"C21H22O8"	"402.1315"	"M+K+CF3COOH"	152.95602
"808614"	270.0528	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M"	0
"985430"	251.03441	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"71485"	179.027924	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"512139"	269.045524	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"888847"	89.010324	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"7422"	269.045524	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"442610"	404.071924	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"823696"	134.019124	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"84779"	539.098324	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"523245"	809.151124	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"898133"	269.045524	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"49956"	556.124871	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"490975"	826.177671	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"870600"	286.072071	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"35585"	561.080266	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"474417"	831.133066	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"851125"	291.027466	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1624306"	291.027466	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"95728"	287.033863	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"534522"	422.060263	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"929530"	152.007463	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"269180"	575.075002	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"660882"	845.127802	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1278391"	305.022202	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"18758"	577.054206	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"464884"	847.107006	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"845971"	307.001406	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1565083"	307.001406	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"956251"	315.050994	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"376788"	585.103801	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"360663"	599.119451	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1508269"	329.066651	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"967071"	337.032951	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"118165"	305.022202	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"557726"	440.048602	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1027617"	169.995802	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1247197"	348.971685	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1307457"	351.027672	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1324953"	373.009629	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"925498"	383.038386	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1302206"	419.015064	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1379638"	235.040124	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1395679"	253.0501	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"293539"	541.112876	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"688876"	811.165676	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1359027"	271.060076	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"137382"	271.060076	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"573662"	406.086476	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1043555"	136.033676	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"212549"	181.042476	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"655389"	271.060076	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1170235"	91.024876	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"431320"	558.139423	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"789036"	828.192223	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1686461"	288.086623	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"341299"	279.5733495	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"730439"	414.5997495	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1480980"	144.5469495	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"395661"	563.094818	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"759572"	833.147618	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1610954"	293.042018	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"315397"	282.051047	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"709399"	417.077447	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1465043"	147.024647	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1052855"	98.35219	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1258871"	303.086286	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"377163"	579.068758	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"742088"	849.121558	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1544875"	309.015958	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"303144"	290.038017	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"695563"	425.064417	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1449748"	155.011617	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"236765"	582.139426	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1210444"	312.086626	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1194442"	156.546951	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"190000"	585.07676	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"631748"	855.12956	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1133066"	315.02396	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"173436"	293.042018	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"613729"	428.068418	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1118329"	158.015618	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1401125"	105.679504	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1434705"	317.065546	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"226589"	298.07504	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1514651"	331.11759	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"411056"	301.028988	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"774240"	436.055388	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1666200"	166.002588	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"252356"	604.121368	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1231991"	334.068568	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1718691"	334.092093	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1184044"	113.006818	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1653937"	339.047488	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"158611"	617.02464	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"601452"	887.07744	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1088152"	346.97184	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"143145"	309.015958	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"583434"	444.042358	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1071226"	173.989558	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1100788"	348.986392	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1343009"	349.074007	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1011542"	353.113176	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1531855"	354.106808	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"998303"	177.060226	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1596087"	355.021428	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1418466"	385.052938	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1149849"	197.573501	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1699399"	402.079485	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1637235"	407.03488	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1581637"	423.00882	"C10113"	"Norwogonin;578-Trihydroxyflavone"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"808724"	448.1006	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M"	0
"984446"	429.08221	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"71595"	297.726457333333	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"510062"	447.093324	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"882396"	148.359590666667	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"7532"	447.093324	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"443814"	671.143624	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"820890"	223.043024	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"80880"	895.193924	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"522626"	1343.294524	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"896175"	447.093324	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"48972"	912.220471	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"489625"	1360.321071	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"872896"	464.119871	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"34236"	917.175866	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"473067"	1365.276466	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"851235"	469.075266	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1619676"	469.075266	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"95109"	465.081663	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"534592"	689.131963	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"927537"	241.031363	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"268196"	931.170602	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"660749"	1379.271202	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1277407"	483.070002	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"16803"	933.149806	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"462806"	1381.250406	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"838421"	485.049206	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1561911"	485.049206	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"957819"	493.098794	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"377038"	941.199401	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"359926"	955.215051	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1507299"	507.114451	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"970461"	515.080751	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"119369"	483.070002	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"556742"	707.120302	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1027727"	259.019702	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1247307"	527.019485	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1307567"	529.075472	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1323970"	551.057429	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"921597"	561.086186	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1300491"	597.062864	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1378655"	413.087924	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1395789"	431.0979	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"293285"	897.208476	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"688986"	1345.309076	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1356951"	449.107876	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"137857"	449.107876	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"576324"	673.158176	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1044760"	225.057576	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"212659"	299.741009333333	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"655135"	449.107876	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1171438"	150.374142666667	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"430337"	914.235023	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"787323"	1362.335623	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1685477"	466.134423	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"338128"	457.6211495	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"729454"	681.6714495	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1481090"	233.5708495	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"398687"	919.190418	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"758952"	1367.291018	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1609969"	471.089818	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"317818"	460.098847	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"710238"	684.149147	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1462964"	236.048547	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1053048"	157.701456666667	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1257392"	481.134086	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"377339"	935.164358	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"741834"	1383.264958	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1542798"	487.063758	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"302888"	468.085817	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"694577"	692.136117	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1448033"	244.035517	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"236630"	938.235026	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1210306"	490.134426	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1195408"	245.570851	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"190110"	941.17236	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"630035"	1389.27296	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1131590"	493.07176	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"174636"	471.089818	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"613834"	695.140118	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1118439"	247.039518	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1401235"	165.028770666667	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1432982"	495.113346	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"225606"	476.12284	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1513668"	509.16539	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"411530"	479.076788	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"774350"	703.127088	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1666310"	255.026488	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"252466"	960.216968	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1231373"	512.116368	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1719165"	512.139893	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1184154"	172.356084666667	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1654412"	517.095288	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"160179"	973.12024	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"599010"	1421.22084	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1088262"	525.01964	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"143255"	487.063758	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"582326"	711.114058	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1071336"	263.013458	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1100776"	527.034192	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1338746"	527.121807	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1008005"	531.160976	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1528685"	532.154608	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"995133"	266.084126	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1595104"	533.069228	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1416390"	563.100738	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1153239"	286.597401	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1698416"	580.127285	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1637345"	585.08268	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1581747"	601.05662	"C10114"	"Orientin;Luteolin 8-C-glucoside"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"815394"	360.0845	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M"	0
"988930"	341.06611	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"77173"	239.049057333333	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"512359"	359.077224	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"886879"	119.020890666667	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"9830"	359.077224	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"451578"	539.119474	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"828289"	179.034974	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"90467"	719.161724	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"530027"	1079.246224	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"901635"	359.077224	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"61113"	736.188271	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"501159"	1096.272771	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"878718"	376.103771	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"43095"	741.143666	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"479376"	1101.228166	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"854991"	381.059166	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1627806"	381.059166	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"98138"	377.065563	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"541709"	557.107813	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"928297"	197.023313	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"269404"	755.138402	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"661222"	1115.222902	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1273627"	395.053902	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"18979"	757.117606	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"459635"	1117.202106	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"837437"	397.033106	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1558742"	397.033106	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"956959"	405.082694	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"376690"	765.167201	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"358580"	779.182851	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1505950"	419.098351	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"970207"	427.064651	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"122759"	395.053902	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"556851"	575.096152	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1026014"	215.011652	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1247414"	439.003385	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1306947"	441.059372	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1322985"	463.041329	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"922800"	473.070086	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1300237"	509.046764	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1382251"	325.071824	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1395169"	343.0818	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"293759"	721.176276	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"687639"	1081.260776	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1358154"	361.091776	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"136874"	361.091776	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"576798"	541.134026	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1043776"	181.049526	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"211676"	241.063609333333	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"655609"	361.091776	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1171549"	121.035442666667	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"433728"	738.202823	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"790351"	1098.287323	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1689962"	378.118323	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"340425"	369.6050495	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"731752"	549.6472995	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1486666"	189.5627995	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"397703"	743.158218	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"759791"	1103.242718	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1606798"	383.073718	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"320114"	372.082747	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"710348"	552.124997	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1463316"	192.040497	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1055954"	128.362756666667	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1260913"	393.117986	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"378757"	759.132158	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"742308"	1119.216658	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1545095"	399.047658	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"301905"	380.069717	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"694687"	560.111967	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1450695"	200.027467	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"236621"	762.202826	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1210541"	402.118326	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1195277"	201.562801	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"191676"	765.14016	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"631966"	1125.22466	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1132796"	405.05566	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"174382"	383.073718	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"615036"	563.115968	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1117570"	203.031468	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1400971"	135.690070666667	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1432728"	407.097246	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"224624"	388.10674	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1515601"	421.14929	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"414920"	391.060688	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"772271"	571.102938	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1666053"	211.018438	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"253669"	784.184768	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1232211"	424.100268	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1718911"	424.123793	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1180982"	143.017384666667	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1653428"	429.079188	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"159924"	797.08804	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"599120"	1157.17254	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1087643"	437.00354	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"144094"	399.047658	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"582556"	579.089908	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1071446"	219.005408	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1101129"	439.018092	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1341041"	439.105707	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1006531"	443.144876	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1526607"	444.138508	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"993054"	222.076076	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1595214"	445.053128	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1419779"	475.084638	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1152255"	242.589351	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1699619"	492.111185	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1634659"	497.06658	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1581857"	513.04052	"C10115"	"Oxyanin A;Oxyayanin A"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"808944"	360.0845	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M"	0
"979199"	341.06611	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"74002"	239.049057333333	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"512469"	359.077224	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"882616"	119.020890666667	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"7753"	359.077224	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"442936"	539.119474	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"824022"	179.034974	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"82919"	719.161724	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"523573"	1079.246224	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"911103"	359.077224	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"62196"	736.188271	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"502611"	1096.272771	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"878584"	376.103771	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"45757"	741.143666	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"483860"	1101.228166	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"858381"	381.059166	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1631926"	381.059166	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"101164"	377.065563	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"544006"	557.107813	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"932055"	197.023313	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"272798"	755.138402	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"662306"	1115.222902	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1275439"	395.053902	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"21277"	757.117606	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"457559"	1117.202106	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"838642"	397.033106	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1558852"	397.033106	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"957800"	405.082694	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"376026"	765.167201	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"360144"	779.182851	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1507647"	419.098351	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"972512"	427.064651	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"121776"	395.053902	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"562795"	575.096152	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1027948"	215.011652	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1254817"	439.003385	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1308879"	441.059372	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1325281"	463.041329	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"925463"	473.070086	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1301077"	509.046764	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1382565"	325.071824	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1394184"	343.0818	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"297151"	721.176276	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"687749"	1081.260776	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1360449"	361.091776	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"138444"	361.091776	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"579098"	541.134026	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1051179"	181.049526	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"219766"	241.063609333333	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"659734"	361.091776	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1177492"	121.035442666667	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"437483"	738.202823	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"797020"	1098.287323	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1692987"	378.118323	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"341629"	369.6050495	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"732955"	549.6472995	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1486776"	189.5627995	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"401093"	743.158218	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"759901"	1103.242718	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1613470"	383.073718	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"323505"	372.082747	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"718112"	552.124997	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1464277"	192.040497	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1056430"	128.362756666667	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1262483"	393.117986	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"381057"	759.132158	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"743148"	1119.216658	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1543383"	399.047658	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"301651"	380.069717	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"698080"	560.111967	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1451535"	200.027467	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"237220"	762.202826	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1213209"	402.118326	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1197457"	201.562801	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"188828"	765.14016	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"630984"	1125.22466	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1133874"	405.05566	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"174735"	383.073718	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"615388"	563.115968	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1117562"	203.031468	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1400720"	135.690070666667	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1431380"	407.097246	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"231659"	388.10674	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1520084"	421.14929	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"416853"	391.060688	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"780036"	571.102938	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1667990"	211.018438	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"258518"	784.184768	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1231593"	424.100268	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1720115"	424.123793	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1183647"	143.017384666667	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1655726"	429.079188	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"159305"	797.08804	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"600689"	1157.17254	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1089574"	437.00354	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"142376"	399.047658	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"581817"	579.089908	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1068881"	219.005408	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1103672"	439.018092	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1335914"	439.105707	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1007736"	443.144876	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1528900"	444.138508	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"994255"	222.076076	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1587788"	445.053128	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1416607"	475.084638	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1152366"	242.589351	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1699729"	492.111185	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1634526"	497.06658	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1581967"	513.04052	"C10116"	"Oxyanin B;Oxyayanin B"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"809054"	344.0896	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M"	0
"980403"	325.07121	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"70832"	228.385790666667	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"511486"	343.082324	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"889288"	113.689257333333	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"10050"	343.082324	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"446329"	515.127124	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"824132"	171.037524	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"83030"	687.171924	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"521860"	1031.261524	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"900393"	343.082324	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"55864"	704.198471	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"497611"	1048.288071	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"873226"	360.108871	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"36389"	709.153866	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"474126"	1053.243466	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"850835"	365.064266	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1629120"	365.064266	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"96536"	361.070663	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"539742"	533.115463	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"928882"	189.025863	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"267801"	723.148602	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"660713"	1067.238202	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1275549"	379.059002	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"17376"	725.127806	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"456125"	1069.217406	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"838752"	381.038206	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1558962"	381.038206	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"958406"	389.087794	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"376464"	733.177401	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"361039"	747.193051	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1507635"	403.103451	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"972622"	411.069751	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"122251"	379.059002	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"563634"	551.103802	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1032431"	207.014202	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1255295"	423.008485	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1313364"	425.064472	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1324300"	447.046429	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"925697"	457.075186	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1300456"	493.051864	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1382147"	309.076924	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1394660"	327.0869	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"294345"	689.186476	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"684941"	1033.276076	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1361655"	345.096876	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"138189"	345.096876	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"580302"	517.141676	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1052508"	173.052076	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"219066"	230.400342666667	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"658261"	345.096876	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1174322"	115.703809333333	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"439174"	706.213023	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"797130"	1050.302623	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1692733"	362.123423	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"341739"	353.6101495	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"734888"	525.6549495	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1486886"	181.5653495	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"401203"	711.168418	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"764385"	1055.258018	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1613581"	367.078818	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"324709"	356.087847	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"718222"	528.132647	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1465481"	184.043047	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1058727"	123.031123333333	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1263687"	377.123086	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"383354"	727.142358	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"744352"	1071.231958	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1543493"	383.052758	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"301397"	364.074817	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"696369"	536.119617	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1448366"	192.030017	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"236965"	730.213026	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1213320"	386.123426	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1197932"	193.565351	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"192265"	733.15036	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"630486"	1077.23996	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1135328"	389.06076	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"175335"	367.078818	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"615260"	539.123618	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1119499"	195.034018	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1403385"	130.358437333333	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1431125"	391.102346	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"229582"	372.11184	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1518372"	405.15439	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"415871"	375.065788	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"775774"	547.110588	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1666642"	203.020988	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"256442"	752.194968	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1230610"	408.105368	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1719496"	408.128893	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1182663"	137.685751333333	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1654742"	413.084288	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"161238"	765.09824	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"601163"	1109.18784	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1089686"	421.00864	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"147594"	383.052758	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"586062"	555.097558	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1073855"	211.007958	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1109249"	423.023192	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1336887"	423.110807	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1007604"	427.149976	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1529013"	428.143608	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"995460"	214.078626	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1589962"	429.058228	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1418903"	459.089738	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1147729"	234.591901	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1699836"	476.116285	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1635851"	481.07168	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1582077"	497.04562	"C10117"	"Pachypodol;Quercetin 373-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"809163"	332.0532	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M"	0
"982697"	313.03481	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-H2O-H"	-19.01839
"75312"	220.361524	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M-3H"	-3.021828
"513780"	331.045924	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M-3H"	-3.021828
"890490"	109.677124	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-3H"	-3.021828
"11252"	331.045924	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M-2H"	-2.014552
"449715"	497.072524	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M-2H"	-2.014552
"823145"	165.019324	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-2H"	-2.014552
"85324"	663.099124	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M-H"	-1.007276
"524885"	995.152324	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M-H"	-1.007276
"903783"	331.045924	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-H"	-1.007276
"60472"	680.125671	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M-2H+NH4"	16.019271
"496626"	1012.178871	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M-2H+NH4"	16.019271
"872241"	348.072471	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-2H+NH4"	16.019271
"43422"	685.081066	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M-2H+Na"	20.974666
"481892"	1017.134266	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M-2H+Na"	20.974666
"858237"	353.027866	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-2H+Na"	20.974666
"1625950"	353.027866	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Na-2H"	20.974666
"104664"	349.034263	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M-H+Cl"	33.962126
"545318"	515.060863	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M-H+Cl"	33.962126
"939927"	183.007663	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-H+Cl"	33.962126
"270827"	699.075802	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+Cl"	34.969402
"661061"	1031.129002	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+Cl"	34.969402
"1275287"	367.022602	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Cl"	34.969402
"16183"	701.055006	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M-2H+K"	36.948606
"457771"	1033.108206	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M-2H+K"	36.948606
"833138"	369.001806	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-2H+K"	36.948606
"1559072"	369.001806	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+K-2H"	36.948606
"950235"	377.051394	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-H+HCOOH"	44.998194
"377053"	709.104601	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+HCOOH-H"	44.998201
"360726"	723.120251	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+Hac-H"	59.013851
"1507377"	391.067051	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Hac-H"	59.013851
"973092"	399.033351	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-H+NaCOOH"	66.980151
"124183"	367.022602	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+2Cl"	69.938804
"565443"	533.049202	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+2Cl"	69.938804
"1036554"	200.996002	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2Cl"	69.938804
"1254304"	410.972085	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Br"	78.918885
"1319392"	413.028072	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Cl+HCOOH"	80.974872
"1332792"	435.010029	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Cl+NaCOOH"	102.956829
"922034"	445.038786	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M-H+CF3COOH"	112.985586
"1301297"	481.015464	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Cl+CF3COOH"	148.962264
"1379092"	297.040524	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H-2H2O"	-35.012676
"1394766"	315.0505	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H-H2O"	-17.0027
"294084"	665.113676	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+H"	1.007276
"678851"	997.166876	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+H"	1.007276
"1355562"	333.060476	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H"	1.007276
"133556"	333.060476	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+2H"	2.014552
"575304"	499.087076	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+2H"	2.014552
"1045196"	167.033876	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2H"	2.014552
"215649"	222.376076	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+3H"	3.021828
"654845"	333.060476	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+3H"	3.021828
"1172969"	111.691676	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+3H"	3.021828
"435148"	682.140223	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+NH4"	18.033823
"793956"	1014.193423	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+NH4"	18.033823
"1687367"	350.087023	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+NH4"	18.033823
"336379"	341.5737495	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+H+NH4"	19.041099
"730986"	507.6003495	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+H+NH4"	19.041099
"1481522"	175.5471495	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H+NH4"	19.041099
"401311"	687.095618	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+Na"	22.989218
"764130"	1019.148818	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+Na"	22.989218
"1609313"	355.042418	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Na"	22.989218
"326641"	344.051447	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+H+Na"	23.996494
"713957"	510.078047	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+H+Na"	23.996494
"1466684"	178.024847	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H+Na"	23.996494
"1057744"	119.01899	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2H+Na"	25.00377
"1263797"	365.086686	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+CH3OH+H"	33.033486
"383464"	703.069558	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+K"	38.963158
"745550"	1035.122758	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+K"	38.963158
"1540684"	371.016358	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+K"	38.963158
"302599"	352.038417	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+H+K"	39.970434
"693927"	518.065017	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+H+K"	39.970434
"1449931"	186.011817	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H+K"	39.970434
"240722"	706.140226	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+ACN+H"	42.033826
"1216710"	374.087026	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+ACN+H"	42.033826
"1198770"	187.547151	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+ACN+2H"	43.041102
"191642"	709.07756	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+2Na-H"	44.97116
"637402"	1041.13076	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+2Na-H"	44.97116
"1135073"	377.02436	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2Na-H"	44.97116
"184194"	355.042418	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+2Na"	45.978436
"619381"	521.069018	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+2Na"	45.978436
"1120334"	189.015818	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2Na"	45.978436
"1401669"	126.346304	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H+2Na"	46.985712
"1431971"	379.065946	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H+HCOOH"	47.012746
"230057"	360.07544	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+3H2O+2H"	56.04448
"1515202"	393.11799	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+IsoProp+H"	61.06479
"417075"	363.029388	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+Na+K"	61.952376
"775884"	529.055988	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+Na+K"	61.952376
"1666752"	197.002788	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Na+K"	61.952376
"256552"	728.122168	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+ACN+Na"	64.015768
"1230720"	396.068968	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+ACN+Na"	64.015768
"1719242"	396.092493	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+NH4+HCOOH"	64.039293
"1184596"	133.673618	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+3Na"	68.967654
"1655581"	401.047888	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Na+HCOOH"	68.994688
"161348"	741.02544	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+2K-H"	76.91904
"599451"	1073.07864	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+2K-H"	76.91904
"1090889"	408.97224	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2K-H"	76.91904
"142966"	371.016358	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"2M+2K"	77.926316
"586173"	537.042958	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"3M+2K"	77.926316
"1075059"	204.989758	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2K"	77.926316
"1106080"	410.986792	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2K+H"	78.933592
"1340279"	411.074407	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+DMSO+H"	79.021207
"1007714"	415.113576	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2ACN+H"	83.060376
"1528030"	416.107208	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+IsoProp+Na+H"	84.054008
"995571"	208.060426	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+2ACN+2H"	84.067652
"1595541"	417.021828	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+K+HCOOH"	84.968628
"1421201"	447.053338	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+H+CF3COOH"	115.000138
"1148208"	228.573701	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+3ACN+2H"	125.094202
"1697760"	464.079885	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+NH4+CF3COOH"	132.026685
"1634237"	469.03528	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+Na+CF3COOH"	136.98208
"1578907"	485.00922	"C10118"	"Patuletin;Quercetagetin 6-methyl ether"	"C16H12O8"	"332.0532"	"M+K+CF3COOH"	152.95602
"805992"	316.0583	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M"	0
"982807"	297.03991	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"72142"	209.698257333333	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"513890"	315.051024	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"892788"	104.345490666667	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"8082"	315.051024	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"448732"	473.080174	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"825442"	157.021874	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"81427"	631.109324	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"522078"	947.167624	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"900613"	315.051024	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"61310"	648.135871	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"496736"	964.194171	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"877456"	332.077571	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"42075"	653.091266	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"479814"	969.149566	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"860533"	337.032966	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1628247"	337.032966	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"101495"	333.039363	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"544335"	491.068513	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"938946"	175.010213	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"273124"	667.086002	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"661293"	983.144302	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1274790"	351.027702	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"16497"	669.065206	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"456791"	985.123506	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"836781"	353.006906	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1563555"	353.006906	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"953625"	361.056494	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"375615"	677.114801	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"360108"	691.130451	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1505292"	375.072151	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"968823"	383.038451	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"122104"	351.027702	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"561664"	509.056852	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1032649"	192.998552	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1252229"	394.977185	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1311397"	397.033172	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1326706"	419.015129	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"924696"	429.043886	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1299948"	465.020564	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1379931"	281.045624	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1394509"	299.0556	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"295654"	633.123876	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"684428"	949.182176	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1360777"	317.065576	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"134760"	317.065576	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"571039"	475.094726	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1044211"	159.036426	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"216123"	211.712809333333	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"656047"	317.065576	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1173078"	106.360042666667	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"431979"	650.150423	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"790787"	966.208723	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1688209"	334.092123	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"336490"	325.5788495	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"727816"	483.6079995	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1479812"	167.5496995	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"403244"	655.105818	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"767156"	971.164118	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1613432"	339.047518	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"326385"	328.056547	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"711880"	486.085697	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1467888"	170.027397	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1057854"	113.687356666667	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1266093"	349.091786	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"383574"	671.079758	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"746755"	987.138058	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1541160"	355.021458	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"301617"	336.043517	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"694766"	494.072667	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1449315"	178.014367	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"241925"	674.150426	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1219005"	358.092126	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1201796"	179.549701	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"192116"	677.08776	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"636418"	993.14606	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1135183"	361.02946	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"181024"	339.047518	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"617668"	497.076668	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1118985"	181.018368	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1401415"	121.014670666667	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1433174"	363.071046	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"228339"	344.08054	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1519321"	377.12309	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"416090"	347.034488	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"781827"	505.063638	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1673419"	189.005338	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"257756"	696.132368	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1233746"	380.074068	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1720445"	380.097593	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1185800"	128.341984666667	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1657879"	385.052988	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"160365"	709.03564	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"603208"	1025.09394	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1090999"	392.97734	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"144898"	355.021458	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"586283"	513.050608	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1074075"	196.992308	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1105097"	394.991892	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1339295"	395.079507	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1013291"	399.118676	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1530324"	400.112308	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"994585"	200.062976	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1590183"	401.026928	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1418029"	431.058438	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1148318"	220.576251	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1700057"	448.084985	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1635710"	453.04038	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1574642"	469.01432	"C10119"	"Pedalitin;3456-Tetrahydroxy-7-methoxyflavone"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"803915"	316.0583	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M"	0
"979636"	297.03991	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"70065"	209.698257333333	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"508532"	315.051024	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"892895"	104.345490666667	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"13658"	315.051024	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"447749"	473.080174	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"826645"	157.021874	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"86639"	631.109324	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"528384"	947.167624	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"902908"	315.051024	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"61420"	648.135871	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"496846"	964.194171	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"877201"	332.077571	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"43642"	653.091266	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"484299"	969.149566	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"860643"	337.032966	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1631637"	337.032966	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"103792"	333.039363	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"546632"	491.068513	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"941122"	175.010213	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"274328"	667.086002	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"664563"	983.144302	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1275146"	351.027702	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"20618"	669.065206	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"460181"	985.123506	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"842358"	353.006906	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1569499"	353.006906	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"954464"	361.056494	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"376342"	677.114801	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"361317"	691.130451	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1507231"	375.072151	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"972948"	383.038451	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"124044"	351.027702	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"563968"	509.056852	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1035317"	192.998552	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1255985"	394.977185	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1319167"	397.033172	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1334713"	419.015129	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"924077"	429.043886	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1303588"	465.020564	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1381867"	281.045624	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1396081"	299.0556	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"295764"	633.123876	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"684538"	949.182176	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1360888"	317.065576	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"137424"	317.065576	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"571149"	475.094726	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1041041"	159.036426	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"211129"	211.712809333333	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"653971"	317.065576	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1173189"	106.360042666667	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"437557"	650.150423	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"794178"	966.208723	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1690507"	334.092123	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"339880"	325.5788495	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"729019"	483.6079995	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1485026"	167.5496995	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"400438"	655.105818	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"764714"	971.164118	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1613906"	339.047518	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"325036"	328.056547	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"710897"	486.085697	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1469092"	170.027397	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1060151"	113.687356666667	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1262923"	349.091786	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"385871"	671.079758	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"743586"	987.138058	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1548924"	355.021458	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"307192"	336.043517	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"697426"	494.072667	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1452339"	178.014367	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"244222"	674.150426	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1216929"	358.092126	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1199719"	179.549701	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"191862"	677.08776	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"638714"	993.14606	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1142219"	361.02946	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"187088"	339.047518	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"619601"	497.076668	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1119826"	181.018368	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1401526"	121.014670666667	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1433284"	363.071046	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"228449"	344.08054	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1520889"	377.12309	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"418387"	347.034488	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"784125"	505.063638	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1677902"	189.005338	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"265518"	696.132368	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1240900"	380.074068	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1723834"	380.097593	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1184817"	128.341984666667	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1656897"	385.052988	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"162662"	709.03564	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"602225"	1025.09394	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1088923"	392.97734	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"149018"	355.021458	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"587487"	513.050608	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1074185"	196.992308	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1103020"	394.991892	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1340497"	395.079507	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1009391"	399.118676	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1528248"	400.112308	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"993601"	200.062976	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1593572"	401.026928	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1419232"	431.058438	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1148428"	220.576251	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1700167"	448.084985	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1635820"	453.04038	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1574752"	469.01432	"C10120"	"Pinoquercetin;6-C-Methylquercetin"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"802930"	254.0579	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M"	0
"979746"	235.03951	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"74550"	168.364657333333	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"516299"	253.050624	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"888633"	83.6786906666667	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"11580"	253.050624	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"447859"	380.079574	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"825662"	126.021674	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"84563"	507.108524	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"522298"	761.166424	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"900463"	253.050624	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"51925"	524.135071	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"495862"	778.192971	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"872571"	270.077171	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"42660"	529.090466	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"484408"	783.148366	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"863796"	275.032566	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1633857"	275.032566	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"108884"	271.038963	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"549255"	398.067913	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"935885"	144.010013	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"279905"	543.085202	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"667953"	797.143102	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1278172"	289.027302	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"24008"	545.064406	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"458465"	799.122306	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"835903"	291.006506	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1570702"	291.006506	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"954938"	299.056094	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"376573"	553.114001	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"361292"	567.129651	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1508191"	313.071751	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"973059"	321.038051	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"123059"	289.027302	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"562252"	416.056252	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1036035"	161.998352	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1254276"	332.976785	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1319035"	335.032772	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1334216"	357.014729	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"924187"	367.043486	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1304063"	403.020164	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1380881"	219.045224	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1396920"	237.0552	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"295874"	509.123076	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"684648"	763.180976	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1358811"	255.065176	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"138262"	255.065176	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"576363"	382.094126	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1045526"	128.036226	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"213426"	170.379209333333	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"654081"	255.065176	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1174393"	85.6932426666667	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"433292"	526.149623	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"792100"	780.207523	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1691709"	272.091723	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"336710"	263.5784495	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"729129"	390.6073995	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1481856"	136.5494995	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"403828"	531.105018	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"768835"	785.162918	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1616203"	277.047118	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"327332"	266.056147	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"717567"	393.085097	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1468107"	139.027197	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1064635"	93.0205566666667	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1264126"	287.091386	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"390356"	547.078958	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"746977"	801.136858	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1549034"	293.021058	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"307302"	274.043117	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"700818"	401.072067	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1456824"	147.014167	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"242146"	550.149626	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1218133"	296.091726	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1203109"	148.549501	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"195982"	553.08696	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"643198"	807.14486	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1142329"	299.02906	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"186711"	277.047118	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"619711"	404.076068	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1120300"	150.018168	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1403093"	100.347870666667	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1433394"	301.070646	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"229653"	282.08014	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1523189"	315.12269	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"419590"	285.034088	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"784598"	412.063038	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1679838"	158.005138	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"264902"	572.131568	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1240161"	318.073668	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1726496"	318.097193	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1184928"	107.675184666667	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1655914"	323.052588	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"162772"	585.03484	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"601242"	839.09274	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1091221"	330.97694	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"148038"	293.021058	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"587599"	420.050008	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1075390"	165.992108	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1107504"	332.991492	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1340608"	333.079107	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1010233"	337.118276	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1528360"	338.111908	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"996993"	169.062776	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1593687"	339.026528	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1425907"	369.058038	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1148537"	189.576051	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1700275"	386.084585	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1637023"	391.03998	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1579237"	407.01392	"C10121"	"Primetin;58-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"801577"	318.0376	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M"	0
"977669"	299.01921	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-H2O-H"	-19.01839
"73567"	211.017790666667	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M-3H"	-3.021828
"513129"	317.030324	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M-3H"	-3.021828
"890929"	105.005257333333	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-3H"	-3.021828
"8410"	317.030324	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M-2H"	-2.014552
"445782"	476.049124	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M-2H"	-2.014552
"823585"	158.011524	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-2H"	-2.014552
"84673"	635.067924	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M-H"	-1.007276
"522407"	953.105524	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M-H"	-1.007276
"899844"	317.030324	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-H"	-1.007276
"49119"	652.094471	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M-2H+NH4"	16.019271
"494879"	970.132071	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M-2H+NH4"	16.019271
"872681"	334.056871	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-2H+NH4"	16.019271
"42770"	657.049866	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M-2H+Na"	20.974666
"481238"	975.087466	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M-2H+Na"	20.974666
"863947"	339.012266	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-2H+Na"	20.974666
"1634011"	339.012266	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Na-2H"	20.974666
"109900"	335.018663	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M-H+Cl"	33.962126
"549649"	494.037463	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M-H+Cl"	33.962126
"941342"	175.999863	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-H+Cl"	33.962126
"280015"	671.044602	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+Cl"	34.969402
"668064"	989.082202	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+Cl"	34.969402
"1277188"	353.007002	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Cl"	34.969402
"24118"	673.023806	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M-2H+K"	36.948606
"458211"	991.061406	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M-2H+K"	36.948606
"834553"	354.986206	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-2H+K"	36.948606
"1570448"	354.986206	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+K-2H"	36.948606
"953591"	363.035794	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-H+HCOOH"	44.998194
"376847"	681.073401	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+HCOOH-H"	44.998201
"361371"	695.089051	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+Hac-H"	59.013851
"1508399"	377.051451	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Hac-H"	59.013851
"974101"	385.017751	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-H+NaCOOH"	66.980151
"124263"	353.007002	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+2Cl"	69.938804
"564430"	512.025802	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+2Cl"	69.938804
"1035902"	193.988202	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2Cl"	69.938804
"1255842"	396.956485	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Br"	78.918885
"1319710"	399.012472	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Cl+HCOOH"	80.974872
"1334691"	420.994429	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Cl+NaCOOH"	102.956829
"925026"	431.023186	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M-H+CF3COOH"	112.985586
"1303939"	466.999864	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Cl+CF3COOH"	148.962264
"1382658"	283.024924	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H-2H2O"	-35.012676
"1395205"	301.0349	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H-H2O"	-17.0027
"291244"	637.082476	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+H"	1.007276
"684758"	955.120076	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+H"	1.007276
"1354911"	319.044876	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H"	1.007276
"132903"	319.044876	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+2H"	2.014552
"572463"	478.063676	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+2H"	2.014552
"1044542"	160.026076	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2H"	2.014552
"213536"	213.032342666667	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+3H"	3.021828
"654191"	319.044876	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+3H"	3.021828
"1170129"	107.019809333333	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+3H"	3.021828
"432309"	654.109023	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+NH4"	18.033823
"794397"	972.146623	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+NH4"	18.033823
"1686352"	336.071423	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+NH4"	18.033823
"336820"	327.5581495	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+H+NH4"	19.041099
"725960"	486.5769495	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+H+NH4"	19.041099
"1478807"	168.5393495	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H+NH4"	19.041099
"405397"	659.064418	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+Na"	22.989218
"766028"	977.102018	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+Na"	22.989218
"1616312"	341.026818	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Na"	22.989218
"324162"	330.035847	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+H+Na"	23.996494
"715489"	489.054647	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+H+Na"	23.996494
"1469309"	171.017047	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H+Na"	23.996494
"1064745"	114.347123333333	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2H+Na"	25.00377
"1265329"	351.071086	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+CH3OH+H"	33.033486
"387186"	675.038358	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+K"	38.963158
"745993"	993.075958	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+K"	38.963158
"1552424"	357.000758	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+K"	38.963158
"309599"	338.022817	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+H+K"	39.970434
"699835"	497.041617	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+H+K"	39.970434
"1456934"	179.004017	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H+K"	39.970434
"244443"	678.109026	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+ACN+H"	42.033826
"1217151"	360.071426	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+ACN+H"	42.033826
"1202125"	180.539351	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+ACN+2H"	43.041102
"192812"	681.04636	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+2Na-H"	44.97116
"632737"	999.08396	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+2Na-H"	44.97116
"1136972"	363.00876	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2Na-H"	44.97116
"185728"	341.026818	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+2Na"	45.978436
"625288"	500.045618	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+2Na"	45.978436
"1123326"	182.008018	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2Na"	45.978436
"1404662"	121.674437333333	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H+2Na"	46.985712
"1433504"	365.050346	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H+HCOOH"	47.012746
"226483"	346.05984	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+3H2O+2H"	56.04448
"1523664"	379.10239	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+IsoProp+H"	61.06479
"419700"	349.013788	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+Na+K"	61.952376
"785521"	508.032588	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+Na+K"	61.952376
"1681003"	189.994988	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Na+K"	61.952376
"266108"	700.090968	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+ACN+Na"	64.015768
"1241275"	382.053368	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+ACN+Na"	64.015768
"1728066"	382.076893	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+NH4+HCOOH"	64.039293
"1194025"	129.001751333333	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+3Na"	68.967654
"1661490"	387.032288	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Na+HCOOH"	68.994688
"167256"	712.99424	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+2K-H"	76.91904
"604631"	1031.03184	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+2K-H"	76.91904
"1092423"	394.95664	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2K-H"	76.91904
"151427"	357.000758	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"2M+2K"	77.926316
"589895"	516.019558	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"3M+2K"	77.926316
"1076593"	197.981958	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2K"	77.926316
"1107613"	396.971192	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2K+H"	78.933592
"1340718"	397.058807	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+DMSO+H"	79.021207
"1012529"	401.097976	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2ACN+H"	83.060376
"1531747"	402.091608	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+IsoProp+Na+H"	84.054008
"998196"	201.052626	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+2ACN+2H"	84.067652
"1593797"	403.006228	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+K+HCOOH"	84.968628
"1426017"	433.037738	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+H+CF3COOH"	115.000138
"1148647"	221.565901	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+3ACN+2H"	125.094202
"1701478"	450.064285	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+NH4+CF3COOH"	132.026685
"1637133"	455.01968	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+Na+CF3COOH"	136.98208
"1579347"	470.99362	"C10122"	"Quercetagetin;6-Hydroxyquercetin"	"C15H10O8"	"318.0376"	"M+K+CF3COOH"	152.95602
"812994"	296.1889	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M"	0
"983249"	277.17051	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-H2O-H"	-19.01839
"69304"	196.451990666667	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M-3H"	-3.021828
"513240"	295.181624	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M-3H"	-3.021828
"889947"	97.7223573333333	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-3H"	-3.021828
"12653"	295.181624	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M-2H"	-2.014552
"448079"	443.276074	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M-2H"	-2.014552
"825881"	147.087174	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-2H"	-2.014552
"84784"	591.370524	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M-H"	-1.007276
"521062"	887.559424	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M-H"	-1.007276
"899589"	295.181624	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-H"	-1.007276
"51050"	608.397071	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M-2H+NH4"	16.019271
"489519"	904.585971	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M-2H+NH4"	16.019271
"868050"	312.208171	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-2H+NH4"	16.019271
"39597"	613.352466	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M-2H+Na"	20.974666
"480255"	909.541366	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M-2H+Na"	20.974666
"859151"	317.163566	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-2H+Na"	20.974666
"1633306"	317.163566	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Na-2H"	20.974666
"109953"	313.169963	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M-H+Cl"	33.962126
"549762"	461.264413	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M-H+Cl"	33.962126
"933919"	165.075513	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-H+Cl"	33.962126
"280855"	627.347202	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+Cl"	34.969402
"663801"	923.536102	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+Cl"	34.969402
"1275112"	331.158302	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Cl"	34.969402
"23135"	629.326406	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M-2H+K"	36.948606
"458320"	925.515306	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M-2H+K"	36.948606
"833570"	333.137506	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-2H+K"	36.948606
"1569829"	333.137506	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+K-2H"	36.948606
"954430"	341.187094	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-H+HCOOH"	44.998194
"376973"	637.376001	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+HCOOH-H"	44.998201
"361399"	651.391651	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+Hac-H"	59.013851
"1508169"	355.202751	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Hac-H"	59.013851
"973845"	363.169051	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-H+NaCOOH"	66.980151
"125422"	331.158302	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+2Cl"	69.938804
"563926"	479.252752	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+2Cl"	69.938804
"1035644"	183.063852	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2Cl"	69.938804
"1255223"	375.107785	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Br"	78.918885
"1319770"	377.163772	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Cl+HCOOH"	80.974872
"1331882"	399.145729	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Cl+NaCOOH"	102.956829
"921489"	409.174486	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M-H+CF3COOH"	112.985586
"1304101"	445.151164	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Cl+CF3COOH"	148.962264
"1380736"	261.176224	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H-2H2O"	-35.012676
"1392763"	279.1862	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H-H2O"	-17.0027
"290260"	593.385076	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+H"	1.007276
"681588"	889.573976	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+H"	1.007276
"1356844"	297.196176	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H"	1.007276
"133013"	297.196176	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+2H"	2.014552
"571480"	445.290626	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+2H"	2.014552
"1042830"	149.101726	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2H"	2.014552
"210366"	198.466542666667	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+3H"	3.021828
"654301"	297.196176	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+3H"	3.021828
"1170239"	99.7369093333333	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+3H"	3.021828
"431326"	610.411623	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+NH4"	18.033823
"793414"	906.600523	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+NH4"	18.033823
"1685370"	314.222723	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+NH4"	18.033823
"340211"	305.7094495	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+H+NH4"	19.041099
"727165"	453.8038995	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+H+NH4"	19.041099
"1477580"	157.6149995	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H+NH4"	19.041099
"406237"	615.367018	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+Na"	22.989218
"759578"	911.555918	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+Na"	22.989218
"1615329"	319.178118	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Na"	22.989218
"320991"	308.187147	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+H+Na"	23.996494
"713413"	456.281597	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+H+Na"	23.996494
"1469420"	160.092697	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H+Na"	23.996494
"1064855"	107.064223333333	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2H+Na"	25.00377
"1266532"	329.222386	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+CH3OH+H"	33.033486
"387296"	631.340958	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+K"	38.963158
"745009"	927.529858	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+K"	38.963158
"1545973"	335.152058	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+K"	38.963158
"309710"	316.174117	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+H+K"	39.970434
"698852"	464.268567	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+H+K"	39.970434
"1451577"	168.079667	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H+K"	39.970434
"241273"	634.411626	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+ACN+H"	42.033826
"1217262"	338.222726	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+ACN+H"	42.033826
"1200048"	169.615001	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+ACN+2H"	43.041102
"191829"	637.34896	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+2Na-H"	44.97116
"633576"	933.53786	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+2Na-H"	44.97116
"1140362"	341.16006	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2Na-H"	44.97116
"181464"	319.178118	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+2Na"	45.978436
"619932"	467.272568	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+2Na"	45.978436
"1120156"	171.083668	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2Na"	45.978436
"1400395"	114.391537333333	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H+2Na"	46.985712
"1432521"	343.201646	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H+HCOOH"	47.012746
"226593"	324.21114	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+3H2O+2H"	56.04448
"1523042"	357.25369	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+IsoProp+H"	61.06479
"420905"	327.165088	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+Na+K"	61.952376
"784090"	475.259538	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+Na+K"	61.952376
"1680058"	179.070638	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Na+K"	61.952376
"266582"	656.393568	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+ACN+Na"	64.015768
"1241241"	360.204668	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+ACN+Na"	64.015768
"1724164"	360.228193	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+NH4+HCOOH"	64.039293
"1193980"	121.718851333333	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+3Na"	68.967654
"1659413"	365.183588	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Na+HCOOH"	68.994688
"166273"	669.29684	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+2K-H"	76.91904
"604743"	965.48574	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+2K-H"	76.91904
"1090346"	373.10794	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2K-H"	76.91904
"151536"	335.152058	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"2M+2K"	77.926316
"588912"	483.246508	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"3M+2K"	77.926316
"1074517"	187.057608	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2K"	77.926316
"1106630"	375.122492	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2K+H"	78.933592
"1340827"	375.210107	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+DMSO+H"	79.021207
"1011544"	379.249276	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2ACN+H"	83.060376
"1531858"	380.242908	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+IsoProp+Na+H"	84.054008
"998308"	190.128276	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+2ACN+2H"	84.067652
"1592813"	381.157528	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+K+HCOOH"	84.968628
"1420659"	411.189038	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+H+CF3COOH"	115.000138
"1154225"	210.641551	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+3ACN+2H"	125.094202
"1700497"	428.215585	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+NH4+CF3COOH"	132.026685
"1636149"	433.17098	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+Na+CF3COOH"	136.98208
"1579457"	449.14492	"C10123"	"Adenocarpine"	"C19H24N2O"	"296.1889"	"M+K+CF3COOH"	152.95602
"802532"	189.1001	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M"	0
"985544"	170.08171	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-H2O-H"	-19.01839
"71602"	125.059457333333	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M-3H"	-3.021828
"512256"	188.092824	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M-3H"	-3.021828
"890057"	62.0260906666667	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-3H"	-3.021828
"13006"	188.092824	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M-2H"	-2.014552
"448189"	282.642874	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M-2H"	-2.014552
"823805"	93.542774	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-2H"	-2.014552
"82340"	377.192924	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M-H"	-1.007276
"519348"	566.293024	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M-H"	-1.007276
"897876"	188.092824	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-H"	-1.007276
"48485"	394.219471	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M-2H+NH4"	16.019271
"490722"	583.319571	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M-2H+NH4"	16.019271
"868160"	205.119371	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-2H+NH4"	16.019271
"38614"	399.174866	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M-2H+Na"	20.974666
"484376"	588.274966	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M-2H+Na"	20.974666
"858168"	210.074766	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-2H+Na"	20.974666
"1633537"	210.074766	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Na-2H"	20.974666
"109217"	206.081163	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M-H+Cl"	33.962126
"549144"	300.631213	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M-H+Cl"	33.962126
"936217"	111.531113	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-H+Cl"	33.962126
"278049"	413.169602	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+Cl"	34.969402
"666098"	602.269702	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+Cl"	34.969402
"1275223"	224.069502	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Cl"	34.969402
"17899"	415.148806	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M-2H+K"	36.948606
"456035"	604.248906	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M-2H+K"	36.948606
"833028"	226.048706	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-2H+K"	36.948606
"1569939"	226.048706	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+K-2H"	36.948606
"954904"	234.098294	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-H+HCOOH"	44.998194
"376960"	423.198401	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+HCOOH-H"	44.998201
"361233"	437.214051	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+Hac-H"	59.013851
"1508404"	248.113951	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Hac-H"	59.013851
"973636"	256.080251	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-H+NaCOOH"	66.980151
"125576"	224.069502	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+2Cl"	69.938804
"564773"	318.619552	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+2Cl"	69.938804
"1036731"	129.519452	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2Cl"	69.938804
"1256675"	268.018985	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Br"	78.918885
"1319365"	270.074972	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Cl+HCOOH"	80.974872
"1331628"	292.056929	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Cl+NaCOOH"	102.956829
"920505"	302.085686	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M-H+CF3COOH"	112.985586
"1300862"	338.062364	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Cl+CF3COOH"	148.962264
"1380846"	154.087424	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H-2H2O"	-35.012676
"1392872"	172.0974	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H-H2O"	-17.0027
"287090"	379.207476	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+H"	1.007276
"679875"	568.307576	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+H"	1.007276
"1356954"	190.107376	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H"	1.007276
"133123"	190.107376	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+2H"	2.014552
"571590"	284.657426	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+2H"	2.014552
"1040753"	95.557326	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2H"	2.014552
"207560"	127.074009333333	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+3H"	3.021828
"651131"	190.107376	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+3H"	3.021828
"1170349"	64.0406426666667	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+3H"	3.021828
"433624"	396.234023	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+NH4"	18.033823
"791338"	585.334123	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+NH4"	18.033823
"1686573"	207.133923	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+NH4"	18.033823
"337041"	198.6206495	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+H+NH4"	19.041099
"727275"	293.1706995	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+H+NH4"	19.041099
"1478053"	104.0705995	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H+NH4"	19.041099
"407074"	401.189418	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+Na"	22.989218
"769413"	590.289518	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+Na"	22.989218
"1615439"	212.089318	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Na"	22.989218
"321101"	201.098347	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+H+Na"	23.996494
"715710"	295.648397	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+H+Na"	23.996494
"1470624"	106.548297	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H+Na"	23.996494
"1064965"	71.3679566666667	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2H+Na"	25.00377
"1265549"	222.133586	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+CH3OH+H"	33.033486
"387406"	417.163358	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+K"	38.963158
"744027"	606.263458	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+K"	38.963158
"1548267"	228.063258	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+K"	38.963158
"302161"	209.085317	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+H+K"	39.970434
"695675"	303.635367	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+H+K"	39.970434
"1451687"	114.535267	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H+K"	39.970434
"241383"	420.234026	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+ACN+H"	42.033826
"1215186"	231.133926	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+ACN+H"	42.033826
"1200160"	116.070601	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+ACN+2H"	43.041102
"192667"	423.17136	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+2Na-H"	44.97116
"633686"	612.27146	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+2Na-H"	44.97116
"1135732"	234.07126	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2Na-H"	44.97116
"178294"	212.089318	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+2Na"	45.978436
"620042"	306.639368	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+2Na"	45.978436
"1120266"	117.539268	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2Na"	45.978436
"1400869"	78.6952706666667	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H+2Na"	46.985712
"1430443"	236.112846	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H+HCOOH"	47.012746
"226703"	217.12234	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+3H2O+2H"	56.04448
"1523152"	250.16489	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+IsoProp+H"	61.06479
"421015"	220.076288	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+Na+K"	61.952376
"782017"	314.626338	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+Na+K"	61.952376
"1679442"	125.526238	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Na+K"	61.952376
"266326"	442.215968	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+ACN+Na"	64.015768
"1238671"	253.115868	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+ACN+Na"	64.015768
"1720994"	253.139393	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+NH4+HCOOH"	64.039293
"1192549"	86.0225846666667	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+3Na"	68.967654
"1659523"	258.094788	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Na+HCOOH"	68.994688
"168570"	455.11924	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+2K-H"	76.91904
"604853"	644.21934	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+2K-H"	76.91904
"1089364"	266.01914	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2K-H"	76.91904
"150552"	228.063258	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"2M+2K"	77.926316
"586835"	322.613308	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"3M+2K"	77.926316
"1074626"	133.513208	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2K"	77.926316
"1106742"	268.033692	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2K+H"	78.933592
"1339844"	268.121307	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+DMSO+H"	79.021207
"1009832"	272.160476	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2ACN+H"	83.060376
"1530875"	273.154108	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+IsoProp+Na+H"	84.054008
"999511"	136.583876	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+2ACN+2H"	84.067652
"1594016"	274.068728	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+K+HCOOH"	84.968628
"1420769"	304.100238	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+H+CF3COOH"	115.000138
"1153242"	157.097151	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+3ACN+2H"	125.094202
"1700607"	321.126785	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+NH4+CF3COOH"	132.026685
"1636623"	326.08218	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+Na+CF3COOH"	136.98208
"1579567"	342.05612	"C10124"	"Alexine"	"C8H15NO4"	"189.1001"	"M+K+CF3COOH"	152.95602
"803006"	208.1576	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M"	0
"985654"	189.13921	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-H2O-H"	-19.01839
"69522"	137.764457333333	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M-3H"	-3.021828
"513457"	207.150324	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M-3H"	-3.021828
"891259"	68.3785906666667	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-3H"	-3.021828
"13481"	207.150324	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M-2H"	-2.014552
"450486"	311.229124	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M-2H"	-2.014552
"831568"	103.071524	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-2H"	-2.014552
"82084"	415.307924	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M-H"	-1.007276
"522373"	623.465524	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M-H"	-1.007276
"900537"	207.150324	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-H"	-1.007276
"49812"	432.334471	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M-2H+NH4"	16.019271
"492291"	640.492071	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M-2H+NH4"	16.019271
"869727"	224.176871	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-2H+NH4"	16.019271
"39817"	437.289866	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M-2H+Na"	20.974666
"484728"	645.447466	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M-2H+Na"	20.974666
"862651"	229.132266	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-2H+Na"	20.974666
"1630002"	229.132266	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Na-2H"	20.974666
"108355"	225.138663	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M-H+Cl"	33.962126
"547185"	329.217463	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M-H+Cl"	33.962126
"933047"	121.059863	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-H+Cl"	33.962126
"279252"	451.284602	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+Cl"	34.969402
"662928"	659.442202	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+Cl"	34.969402
"1275332"	243.127002	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Cl"	34.969402
"18007"	453.263806	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M-2H+K"	36.948606
"455823"	661.421406	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M-2H+K"	36.948606
"833790"	245.106206	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-2H+K"	36.948606
"1568957"	245.106206	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+K-2H"	36.948606
"953921"	253.155794	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-H+HCOOH"	44.998194
"375790"	461.313401	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+HCOOH-H"	44.998201
"360855"	475.329051	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+Hac-H"	59.013851
"1507412"	267.171451	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Hac-H"	59.013851
"973971"	275.137751	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-H+NaCOOH"	66.980151
"124225"	243.127002	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+2Cl"	69.938804
"565126"	347.205802	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+2Cl"	69.938804
"1034406"	139.048202	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2Cl"	69.938804
"1256058"	287.076485	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Br"	78.918885
"1318747"	289.132472	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Cl+HCOOH"	80.974872
"1332102"	311.114429	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Cl+NaCOOH"	102.956829
"918427"	321.143186	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M-H+CF3COOH"	112.985586
"1302067"	357.119864	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Cl+CF3COOH"	148.962264
"1379862"	173.144924	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H-2H2O"	-35.012676
"1390795"	191.1549	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H-H2O"	-17.0027
"288293"	417.322476	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+H"	1.007276
"678528"	625.480076	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+H"	1.007276
"1359251"	209.164876	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H"	1.007276
"134327"	209.164876	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+2H"	2.014552
"572793"	313.243676	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+2H"	2.014552
"1043779"	105.086076	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2H"	2.014552
"208398"	139.779009333333	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+3H"	3.021828
"651241"	209.164876	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+3H"	3.021828
"1170458"	70.3931426666667	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+3H"	3.021828
"430452"	434.349023	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+NH4"	18.033823
"794728"	642.506623	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+NH4"	18.033823
"1684497"	226.191423	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+NH4"	18.033823
"337151"	217.6781495	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+H+NH4"	19.041099
"727385"	321.7569495	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+H+NH4"	19.041099
"1479014"	113.5993495	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H+NH4"	19.041099
"406091"	439.304418	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+Na"	22.989218
"769641"	647.462018	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+Na"	22.989218
"1614456"	231.146818	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Na"	22.989218
"322304"	220.155847	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+H+Na"	23.996494
"718007"	324.234647	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+H+Na"	23.996494
"1470734"	116.077047	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H+Na"	23.996494
"1058512"	77.7204566666667	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2H+Na"	25.00377
"1266752"	241.191086	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+CH3OH+H"	33.033486
"386419"	455.278358	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+K"	38.963158
"747415"	663.435958	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+K"	38.963158
"1546190"	247.120758	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+K"	38.963158
"303728"	228.142817	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+H+K"	39.970434
"697974"	332.221617	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+H+K"	39.970434
"1450700"	124.064017	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H+K"	39.970434
"248053"	458.349026	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+ACN+H"	42.033826
"1220763"	250.191426	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+ACN+H"	42.033826
"1204644"	125.599351	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+ACN+2H"	43.041102
"195329"	461.28636	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+2Na-H"	44.97116
"634890"	669.44396	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+2Na-H"	44.97116
"1137302"	253.12876	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2Na-H"	44.97116
"180591"	231.146818	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+2Na"	45.978436
"620152"	335.225618	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+2Na"	45.978436
"1123656"	127.068018	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2Na"	45.978436
"1401711"	85.0477706666667	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H+2Na"	46.985712
"1436016"	255.170346	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H+HCOOH"	47.012746
"224253"	236.17984	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+3H2O+2H"	56.04448
"1522170"	269.22239	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+IsoProp+H"	61.06479
"416750"	239.133788	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+Na+K"	61.952376
"784801"	343.212588	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+Na+K"	61.952376
"1680525"	135.054988	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Na+K"	61.952376
"266437"	480.330968	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+ACN+Na"	64.015768
"1240604"	272.173368	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+ACN+Na"	64.015768
"1722927"	272.196893	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+NH4+HCOOH"	64.039293
"1192782"	92.3750846666667	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+3Na"	68.967654
"1660726"	277.152288	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Na+HCOOH"	68.994688
"170866"	493.23424	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+2K-H"	76.91904
"604963"	701.39184	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+2K-H"	76.91904
"1090567"	285.07664	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2K-H"	76.91904
"149569"	247.120758	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"2M+2K"	77.926316
"589131"	351.199558	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"3M+2K"	77.926316
"1076923"	143.041958	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2K"	77.926316
"1106852"	287.091192	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2K+H"	78.933592
"1343235"	287.178807	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+DMSO+H"	79.021207
"1009578"	291.217976	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2ACN+H"	83.060376
"1529892"	292.211608	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+IsoProp+Na+H"	84.054008
"995247"	146.112626	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+2ACN+2H"	84.067652
"1597405"	293.126228	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+K+HCOOH"	84.968628
"1421972"	323.157738	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+H+CF3COOH"	115.000138
"1152260"	166.625901	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+3ACN+2H"	125.094202
"1700717"	340.184285	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+NH4+CF3COOH"	132.026685
"1636002"	345.13968	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+Na+CF3COOH"	136.98208
"1579677"	361.11362	"C10125"	"Ammodendrine;Spherocarpine"	"C12H20N2O"	"208.1576"	"M+K+CF3COOH"	152.95602
"802509"	160.1	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M"	0
"985764"	141.08161	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-H2O-H"	-19.01839
"71818"	105.726057333333	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M-3H"	-3.021828
"512472"	159.092724	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M-3H"	-3.021828
"893555"	52.3593906666667	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-3H"	-3.021828
"14685"	159.092724	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M-2H"	-2.014552
"449502"	239.142724	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M-2H"	-2.014552
"829491"	79.042724	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-2H"	-2.014552
"81831"	319.192724	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M-H"	-1.007276
"524672"	479.292724	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M-H"	-1.007276
"900649"	159.092724	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-H"	-1.007276
"51016"	336.219271	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M-2H+NH4"	16.019271
"492037"	496.319271	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M-2H+NH4"	16.019271
"869838"	176.119271	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-2H+NH4"	16.019271
"39927"	341.174666	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M-2H+Na"	20.974666
"483865"	501.274666	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M-2H+Na"	20.974666
"862760"	181.074666	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-2H+Na"	20.974666
"1633027"	181.074666	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Na-2H"	20.974666
"108830"	177.081063	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M-H+Cl"	33.962126
"548633"	257.131063	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M-H+Cl"	33.962126
"933157"	97.031063	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-H+Cl"	33.962126
"280455"	355.169402	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+Cl"	34.969402
"663039"	515.269402	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+Cl"	34.969402
"1274350"	195.069402	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Cl"	34.969402
"19089"	357.148606	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M-2H+K"	36.948606
"457314"	517.248606	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M-2H+K"	36.948606
"836451"	197.048606	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-2H+K"	36.948606
"1570769"	197.048606	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+K-2H"	36.948606
"956946"	205.098194	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-H+HCOOH"	44.998194
"375906"	365.198201	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+HCOOH-H"	44.998201
"360763"	379.213851	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+Hac-H"	59.013851
"1506430"	219.113851	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Hac-H"	59.013851
"974085"	227.080151	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-H+NaCOOH"	66.980151
"123607"	195.069402	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+2Cl"	69.938804
"563165"	275.119402	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+2Cl"	69.938804
"1033421"	115.019402	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2Cl"	69.938804
"1256413"	239.018885	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Br"	78.918885
"1318980"	241.074872	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Cl+HCOOH"	80.974872
"1334810"	263.056829	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Cl+NaCOOH"	102.956829
"919630"	273.085586	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M-H+CF3COOH"	112.985586
"1297432"	309.062264	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Cl+CF3COOH"	148.962264
"1374499"	125.087324	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H-2H2O"	-35.012676
"1391998"	143.0973	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H-H2O"	-17.0027
"288403"	321.207276	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+H"	1.007276
"677545"	481.307276	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+H"	1.007276
"1359362"	161.107276	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H"	1.007276
"134073"	161.107276	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+2H"	2.014552
"574362"	241.157276	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+2H"	2.014552
"1042796"	81.057276	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2H"	2.014552
"208509"	107.740609333333	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+3H"	3.021828
"651351"	161.107276	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+3H"	3.021828
"1170568"	54.3739426666667	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+3H"	3.021828
"432747"	338.233823	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+NH4"	18.033823
"792646"	498.333823	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+NH4"	18.033823
"1683511"	178.133823	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+NH4"	18.033823
"337261"	169.6205495	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+H+NH4"	19.041099
"727495"	249.6705495	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+H+NH4"	19.041099
"1478881"	89.5705495	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H+NH4"	19.041099
"405471"	343.189218	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+Na"	22.989218
"768292"	503.289218	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+Na"	22.989218
"1614565"	183.089218	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Na"	22.989218
"324600"	172.098247	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+H+Na"	23.996494
"718117"	252.148247	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+H+Na"	23.996494
"1467563"	92.048247	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H+Na"	23.996494
"1058622"	61.7012566666667	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2H+Na"	25.00377
"1267955"	193.133486	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+CH3OH+H"	33.033486
"382156"	359.163158	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+K"	38.963158
"746431"	519.263158	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+K"	38.963158
"1545207"	199.063158	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+K"	38.963158
"302745"	180.085217	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+H+K"	39.970434
"694437"	260.135217	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+H+K"	39.970434
"1450810"	100.035217	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H+K"	39.970434
"248164"	362.233826	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+ACN+H"	42.033826
"1218686"	202.133826	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+ACN+H"	42.033826
"1201474"	101.570551	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+ACN+2H"	43.041102
"193252"	365.17116	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+2Na-H"	44.97116
"635000"	525.27116	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+2Na-H"	44.97116
"1135951"	205.07116	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2Na-H"	44.97116
"177419"	183.089218	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+2Na"	45.978436
"620262"	263.139218	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+2Na"	45.978436
"1120850"	103.039218	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2Na"	45.978436
"1401093"	69.0285706666667	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H+2Na"	46.985712
"1436126"	207.112746	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H+HCOOH"	47.012746
"221812"	188.12224	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+3H2O+2H"	56.04448
"1522280"	221.16479	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+IsoProp+H"	61.06479
"416860"	191.076188	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+Na+K"	61.952376
"784060"	271.126188	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+Na+K"	61.952376
"1680757"	111.026188	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Na+K"	61.952376
"266549"	384.215768	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+ACN+Na"	64.015768
"1240961"	224.115768	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+ACN+Na"	64.015768
"1721579"	224.139293	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+NH4+HCOOH"	64.039293
"1193984"	76.3558846666667	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+3Na"	68.967654
"1660836"	229.094688	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Na+HCOOH"	68.994688
"168789"	397.11904	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+2K-H"	76.91904
"606166"	557.21904	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+2K-H"	76.91904
"1091770"	237.01904	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2K-H"	76.91904
"147493"	199.063158	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"2M+2K"	77.926316
"588147"	279.113158	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"3M+2K"	77.926316
"1077033"	119.013158	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2K"	77.926316
"1106962"	239.033592	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2K+H"	78.933592
"1343345"	239.121207	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+DMSO+H"	79.021207
"1009688"	243.160376	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2ACN+H"	83.060376
"1531094"	244.154008	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+IsoProp+Na+H"	84.054008
"996450"	122.083826	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+2ACN+2H"	84.067652
"1598608"	245.068628	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+K+HCOOH"	84.968628
"1424269"	275.100138	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+H+CF3COOH"	115.000138
"1150548"	142.597101	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+3ACN+2H"	125.094202
"1700827"	292.126685	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+NH4+CF3COOH"	132.026685
"1636112"	297.08208	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+Na+CF3COOH"	136.98208
"1583067"	313.05602	"C10126"	"Anatabine;(-)-Anatabine"	"C10H12N2"	"160.1"	"M+K+CF3COOH"	152.95602
"801536"	203.0582	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M"	0
"985874"	184.03981	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-H2O-H"	-19.01839
"69742"	134.364857333333	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M-3H"	-3.021828
"511490"	202.050924	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M-3H"	-3.021828
"890385"	66.6787906666667	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-3H"	-3.021828
"12973"	202.050924	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M-2H"	-2.014552
"444145"	303.580024	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M-2H"	-2.014552
"829601"	100.521824	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-2H"	-2.014552
"79755"	405.109124	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M-H"	-1.007276
"523689"	608.167324	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M-H"	-1.007276
"898206"	202.050924	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-H"	-1.007276
"50031"	422.135671	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M-2H+NH4"	16.019271
"492147"	625.193871	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M-2H+NH4"	16.019271
"869219"	219.077471	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-2H+NH4"	16.019271
"36757"	427.091066	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M-2H+Na"	20.974666
"475222"	630.149266	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M-2H+Na"	20.974666
"855213"	224.032866	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-2H+Na"	20.974666
"1632774"	224.032866	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Na-2H"	20.974666
"108819"	220.039263	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M-H+Cl"	33.962126
"546311"	321.568363	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M-H+Cl"	33.962126
"935456"	118.510163	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-H+Cl"	33.962126
"277287"	441.085802	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+Cl"	34.969402
"662058"	644.144002	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+Cl"	34.969402
"1273157"	238.027602	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Cl"	34.969402
"16527"	443.065006	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M-2H+K"	36.948606
"456696"	646.123206	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M-2H+K"	36.948606
"833033"	240.006806	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-2H+K"	36.948606
"1571000"	240.006806	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+K-2H"	36.948606
"957056"	248.056394	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-H+HCOOH"	44.998194
"376824"	451.114601	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+HCOOH-H"	44.998201
"360138"	465.130251	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+Hac-H"	59.013851
"1506904"	262.072051	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Hac-H"	59.013851
"973355"	270.038351	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-H+NaCOOH"	66.980151
"125178"	238.027602	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+2Cl"	69.938804
"565226"	339.556702	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+2Cl"	69.938804
"1036902"	136.498502	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2Cl"	69.938804
"1256967"	281.977085	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Br"	78.918885
"1319332"	284.033072	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Cl+HCOOH"	80.974872
"1333784"	306.015029	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Cl+NaCOOH"	102.956829
"918647"	316.043786	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M-H+CF3COOH"	112.985586
"1297542"	352.020464	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Cl+CF3COOH"	148.962264
"1375705"	168.045524	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H-2H2O"	-35.012676
"1391015"	186.0555	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H-H2O"	-17.0027
"290701"	407.123676	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+H"	1.007276
"687499"	610.181876	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+H"	1.007276
"1363847"	204.065476	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H"	1.007276
"136006"	204.065476	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+2H"	2.014552
"573743"	305.594576	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+2H"	2.014552
"1042906"	102.536376	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2H"	2.014552
"209711"	136.379409333333	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+3H"	3.021828
"651461"	204.065476	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+3H"	3.021828
"1170678"	68.6933426666667	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+3H"	3.021828
"432857"	424.150223	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+NH4"	18.033823
"791663"	627.208423	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+NH4"	18.033823
"1684351"	221.092023	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+NH4"	18.033823
"337371"	212.5787495	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+H+NH4"	19.041099
"727605"	314.1078495	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+H+NH4"	19.041099
"1479966"	111.0496495	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H+NH4"	19.041099
"405581"	429.105618	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+Na"	22.989218
"768038"	632.163818	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+Na"	22.989218
"1611395"	226.047418	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Na"	22.989218
"324710"	215.056447	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+H+Na"	23.996494
"714946"	316.585547	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+H+Na"	23.996494
"1465849"	113.527347	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H+Na"	23.996494
"1053991"	76.0206566666667	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2H+Na"	25.00377
"1260410"	236.091686	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+CH3OH+H"	33.033486
"380443"	445.079558	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+K"	38.963158
"745448"	648.137758	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+K"	38.963158
"1541668"	242.021358	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+K"	38.963158
"301762"	223.043417	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+H+K"	39.970434
"694546"	324.572517	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+H+K"	39.970434
"1448003"	121.514317	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H+K"	39.970434
"241711"	448.150226	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+ACN+H"	42.033826
"1215514"	245.092026	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+ACN+H"	42.033826
"1197573"	123.049651	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+ACN+2H"	43.041102
"193362"	451.08756	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+2Na-H"	44.97116
"634015"	654.14576	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+2Na-H"	44.97116
"1136427"	248.02936	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2Na-H"	44.97116
"177530"	226.047418	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+2Na"	45.978436
"619277"	327.576518	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+2Na"	45.978436
"1120596"	124.518318	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2Na"	45.978436
"1400840"	83.3479706666667	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H+2Na"	46.985712
"1434049"	250.070946	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H+HCOOH"	47.012746
"222286"	231.08044	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+3H2O+2H"	56.04448
"1517281"	264.12299	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+IsoProp+H"	61.06479
"416970"	234.034388	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+Na+K"	61.952376
"782710"	335.563488	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+Na+K"	61.952376
"1680013"	132.505288	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Na+K"	61.952376
"265441"	470.132168	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+ACN+Na"	64.015768
"1241312"	267.073968	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+ACN+Na"	64.015768
"1721689"	267.097493	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+NH4+HCOOH"	64.039293
"1193771"	90.6752846666667	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+3Na"	68.967654
"1656572"	272.052888	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Na+HCOOH"	68.994688
"165619"	483.03544	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+2K-H"	76.91904
"605183"	686.09364	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+2K-H"	76.91904
"1090787"	279.97724	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2K-H"	76.91904
"147603"	242.021358	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"2M+2K"	77.926316
"586070"	343.550458	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"3M+2K"	77.926316
"1074957"	140.492258	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2K"	77.926316
"1107072"	281.991792	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2K+H"	78.933592
"1343454"	282.079407	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+DMSO+H"	79.021207
"1008704"	286.118576	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2ACN+H"	83.060376
"1527923"	287.112208	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+IsoProp+Na+H"	84.054008
"995465"	143.562926	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+2ACN+2H"	84.067652
"1597625"	288.026828	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+K+HCOOH"	84.968628
"1421099"	318.058338	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+H+CF3COOH"	115.000138
"1151387"	164.076201	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+3ACN+2H"	125.094202
"1700208"	335.084885	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+NH4+CF3COOH"	132.026685
"1635493"	340.04028	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+Na+CF3COOH"	136.98208
"1583177"	356.01422	"C10127"	"Anibine"	"C11H9NO3"	"203.0582"	"M+K+CF3COOH"	152.95602
"801879"	141.079	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M"	0
"982704"	122.06061	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-H2O-H"	-19.01839
"66572"	93.0453906666667	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M-3H"	-3.021828
"512692"	140.071724	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M-3H"	-3.021828
"888307"	46.0190573333333	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-3H"	-3.021828
"12351"	140.071724	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M-2H"	-2.014552
"449724"	210.611224	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M-2H"	-2.014552
"827526"	69.532224	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-2H"	-2.014552
"82418"	281.150724	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M-H"	-1.007276
"524895"	422.229724	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M-H"	-1.007276
"900507"	140.071724	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-H"	-1.007276
"54884"	298.177271	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M-2H+NH4"	16.019271
"496631"	439.256271	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M-2H+NH4"	16.019271
"872245"	157.098271	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-2H+NH4"	16.019271
"36867"	303.132666	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M-2H+Na"	20.974666
"480803"	444.211666	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M-2H+Na"	20.974666
"860794"	162.053666	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-2H+Na"	20.974666
"1630335"	162.053666	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Na-2H"	20.974666
"107957"	158.060063	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M-H+Cl"	33.962126
"546424"	228.599563	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M-H+Cl"	33.962126
"936659"	87.520563	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-H+Cl"	33.962126
"278491"	317.127402	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+Cl"	34.969402
"662168"	458.206402	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+Cl"	34.969402
"1273841"	176.048402	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Cl"	34.969402
"20405"	319.106606	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M-2H+K"	36.948606
"457050"	460.185606	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M-2H+K"	36.948606
"836673"	178.027606	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-2H+K"	36.948606
"1565637"	178.027606	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+K-2H"	36.948606
"958346"	186.077194	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-H+HCOOH"	44.998194
"375758"	327.156201	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+HCOOH-H"	44.998201
"360366"	341.171851	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+Hac-H"	59.013851
"1507257"	200.092851	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Hac-H"	59.013851
"974176"	208.059151	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-H+NaCOOH"	66.980151
"125370"	176.048402	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+2Cl"	69.938804
"565461"	246.587902	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+2Cl"	69.938804
"1036688"	105.508902	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2Cl"	69.938804
"1256387"	219.997885	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Br"	78.918885
"1319198"	222.053872	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Cl+HCOOH"	80.974872
"1333164"	244.035829	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Cl+NaCOOH"	102.956829
"916571"	254.064586	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M-H+CF3COOH"	112.985586
"1295466"	290.041264	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Cl+CF3COOH"	148.962264
"1374722"	106.066324	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H-2H2O"	-35.012676
"1390032"	124.0763	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H-H2O"	-17.0027
"290814"	283.165276	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+H"	1.007276
"687610"	424.244276	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+H"	1.007276
"1363959"	142.086276	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H"	1.007276
"137941"	142.086276	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+2H"	2.014552
"577501"	212.625776	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+2H"	2.014552
"1049216"	71.546776	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2H"	2.014552
"216021"	95.0599426666667	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+3H"	3.021828
"656678"	142.086276	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+3H"	3.021828
"1174070"	48.0336093333333	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+3H"	3.021828
"437345"	300.191823	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+NH4"	18.033823
"797244"	441.270823	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+NH4"	18.033823
"1692846"	159.112823	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+NH4"	18.033823
"338574"	150.5995495	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+H+NH4"	19.041099
"728808"	221.1390495	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+H+NH4"	19.041099
"1483723"	80.0600495	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H+NH4"	19.041099
"405691"	305.147218	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+Na"	22.989218
"761220"	446.226218	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+Na"	22.989218
"1607130"	164.068218	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Na"	22.989218
"322633"	153.077247	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+H+Na"	23.996494
"711774"	223.616747	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+H+Na"	23.996494
"1462555"	82.537747	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H+Na"	23.996494
"1052797"	55.3609233333333	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2H+Na"	25.00377
"1258699"	174.112486	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+CH3OH+H"	33.033486
"380191"	321.121158	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+K"	38.963158
"742279"	462.200158	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+K"	38.963158
"1541415"	180.042158	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+K"	38.963158
"302604"	161.064217	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+H+K"	39.970434
"697211"	231.603717	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+H+K"	39.970434
"1452125"	90.524717	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H+K"	39.970434
"238541"	324.191826	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+ACN+H"	42.033826
"1215624"	183.112826	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+ACN+H"	42.033826
"1199507"	92.060051	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+ACN+2H"	43.041102
"195659"	327.12916	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+2Na-H"	44.97116
"634489"	468.20816	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+2Na-H"	44.97116
"1139817"	186.05016	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2Na-H"	44.97116
"178734"	164.068218	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+2Na"	45.978436
"620481"	234.607718	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+2Na"	45.978436
"1116940"	93.528718	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2Na"	45.978436
"1403139"	62.6882373333333	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H+2Na"	46.985712
"1435255"	188.091746	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H+HCOOH"	47.012746
"224222"	169.10124	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+3H2O+2H"	56.04448
"1514108"	202.14379	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+IsoProp+H"	61.06479
"418170"	172.055188	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+Na+K"	61.952376
"775887"	242.594688	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+Na+K"	61.952376
"1673314"	101.515688	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Na+K"	61.952376
"262752"	346.173768	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+ACN+Na"	64.015768
"1237651"	205.094768	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+ACN+Na"	64.015768
"1725080"	205.118293	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+NH4+HCOOH"	64.039293
"1190433"	70.0155513333333	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+3Na"	68.967654
"1656681"	210.073688	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Na+HCOOH"	68.994688
"169008"	359.07704	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+2K-H"	76.91904
"602008"	500.15604	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+2K-H"	76.91904
"1085061"	217.99804	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2K-H"	76.91904
"146617"	180.042158	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"2M+2K"	77.926316
"585083"	250.581658	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"3M+2K"	77.926316
"1072148"	109.502658	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2K"	77.926316
"1107181"	220.012592	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2K+H"	78.933592
"1341378"	220.100207	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+DMSO+H"	79.021207
"1008814"	224.139376	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2ACN+H"	83.060376
"1531314"	225.133008	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+IsoProp+Na+H"	84.054008
"992294"	112.573326	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+2ACN+2H"	84.067652
"1590076"	226.047628	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+K+HCOOH"	84.968628
"1417925"	256.079138	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+H+CF3COOH"	115.000138
"1149305"	133.086601	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+3ACN+2H"	125.094202
"1697763"	273.105685	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+NH4+CF3COOH"	132.026685
"1636694"	278.06108	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+Na+CF3COOH"	136.98208
"1583287"	294.03502	"C10128"	"Arecaidine"	"C7H11NO2"	"141.079"	"M+K+CF3COOH"	152.95602
"807092"	155.0946	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M"	0
"983907"	136.07621	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-H2O-H"	-19.01839
"73242"	102.389124	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M-3H"	-3.021828
"516813"	154.087324	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M-3H"	-3.021828
"893885"	50.690924	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-3H"	-3.021828
"13555"	154.087324	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M-2H"	-2.014552
"449835"	231.634624	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M-2H"	-2.014552
"830555"	76.540024	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-2H"	-2.014552
"86536"	309.181924	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M-H"	-1.007276
"527192"	464.276524	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M-H"	-1.007276
"907178"	154.087324	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-H"	-1.007276
"57180"	326.208471	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M-2H+NH4"	16.019271
"494553"	481.303071	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M-2H+NH4"	16.019271
"874543"	171.113871	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-2H+NH4"	16.019271
"40988"	331.163866	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M-2H+Na"	20.974666
"479820"	486.258466	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M-2H+Na"	20.974666
"855437"	176.069266	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-2H+Na"	20.974666
"1629350"	176.069266	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Na-2H"	20.974666
"102601"	172.075663	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M-H+Cl"	33.962126
"543255"	249.622963	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M-H+Cl"	33.962126
"938592"	94.528363	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-H+Cl"	33.962126
"276415"	345.158602	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+Cl"	34.969402
"660456"	500.253202	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+Cl"	34.969402
"1273140"	190.064002	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Cl"	34.969402
"15767"	347.137806	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M-2H+K"	36.948606
"456061"	502.232406	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M-2H+K"	36.948606
"837878"	192.043206	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-2H+K"	36.948606
"1565747"	192.043206	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+K-2H"	36.948606
"947067"	200.092794	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-H+HCOOH"	44.998194
"375746"	355.187401	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+HCOOH-H"	44.998201
"360111"	369.203051	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+Hac-H"	59.013851
"1506389"	214.108451	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Hac-H"	59.013851
"972108"	222.074751	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-H+NaCOOH"	66.980151
"123932"	190.064002	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+2Cl"	69.938804
"563495"	267.611302	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+2Cl"	69.938804
"1034115"	112.516702	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2Cl"	69.938804
"1256573"	234.013485	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Br"	78.918885
"1319065"	236.069472	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Cl+HCOOH"	80.974872
"1335101"	258.051429	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Cl+NaCOOH"	102.956829
"916681"	268.080186	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M-H+CF3COOH"	112.985586
"1292294"	304.056864	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Cl+CF3COOH"	148.962264
"1373736"	120.081924	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H-2H2O"	-35.012676
"1392329"	138.0919	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H-H2O"	-17.0027
"292016"	311.196476	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+H"	1.007276
"688084"	466.291076	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+H"	1.007276
"1361153"	156.101876	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H"	1.007276
"138051"	156.101876	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+2H"	2.014552
"576152"	233.649176	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+2H"	2.014552
"1050544"	78.554576	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2H"	2.014552
"216131"	104.403676	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+3H"	3.021828
"654598"	156.101876	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+3H"	3.021828
"1173816"	52.705476	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+3H"	3.021828
"436725"	328.223023	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+NH4"	18.033823
"791886"	483.317623	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+NH4"	18.033823
"1692594"	173.128423	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+NH4"	18.033823
"338684"	164.6151495	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+H+NH4"	19.041099
"730013"	242.1624495	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+H+NH4"	19.041099
"1483833"	87.0678495	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H+NH4"	19.041099
"404712"	333.178418	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+Na"	22.989218
"761332"	488.273018	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+Na"	22.989218
"1609427"	178.083818	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Na"	22.989218
"322743"	167.092847	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+H+Na"	23.996494
"712977"	244.640147	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+H+Na"	23.996494
"1462788"	89.545547	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H+Na"	23.996494
"1054577"	60.03279	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2H+Na"	25.00377
"1260632"	188.128086	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+CH3OH+H"	33.033486
"380301"	349.152358	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+K"	38.963158
"740567"	504.246958	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+K"	38.963158
"1545538"	194.057758	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+K"	38.963158
"302714"	175.079817	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+H+K"	39.970434
"699509"	252.627117	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+H+K"	39.970434
"1455516"	97.532517	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H+K"	39.970434
"240838"	352.223026	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+ACN+H"	42.033826
"1217921"	197.128426	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+ACN+H"	42.033826
"1200710"	99.067851	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+ACN+2H"	43.041102
"195768"	355.16036	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+2Na-H"	44.97116
"637516"	510.25496	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+2Na-H"	44.97116
"1143208"	200.06576	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2Na-H"	44.97116
"182125"	178.083818	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+2Na"	45.978436
"619499"	255.631118	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+2Na"	45.978436
"1124098"	100.536518	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2Na"	45.978436
"1404342"	67.360104	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H+2Na"	46.985712
"1433179"	202.107346	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H+HCOOH"	47.012746
"223968"	183.11684	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+3H2O+2H"	56.04448
"1517498"	216.15939	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+IsoProp+H"	61.06479
"418280"	186.070788	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+Na+K"	61.952376
"775997"	263.618088	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+Na+K"	61.952376
"1673424"	108.523488	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Na+K"	61.952376
"262132"	374.204968	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+ACN+Na"	64.015768
"1237396"	219.110368	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+ACN+Na"	64.015768
"1725555"	219.133893	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+NH4+HCOOH"	64.039293
"1190908"	74.687418	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+3Na"	68.967654
"1660072"	224.089288	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Na+HCOOH"	68.994688
"169120"	387.10824	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+2K-H"	76.91904
"605399"	542.20284	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+2K-H"	76.91904
"1086267"	232.01364	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2K-H"	76.91904
"145635"	194.057758	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"2M+2K"	77.926316
"585196"	271.605058	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"3M+2K"	77.926316
"1072989"	116.510458	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2K"	77.926316
"1109478"	234.028192	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2K+H"	78.933592
"1341489"	234.115807	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+DMSO+H"	79.021207
"1013299"	238.154976	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2ACN+H"	83.060376
"1530331"	239.148608	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+IsoProp+Na+H"	84.054008
"996779"	119.581126	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+2ACN+2H"	84.067652
"1595656"	240.063228	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+K+HCOOH"	84.968628
"1419127"	270.094738	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+H+CF3COOH"	115.000138
"1148442"	140.094401	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+3ACN+2H"	125.094202
"1697994"	287.121285	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+NH4+CF3COOH"	132.026685
"1635712"	292.07668	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+Na+CF3COOH"	136.98208
"1572093"	308.05062	"C10129"	"Arecoline"	"C8H13NO2"	"155.0946"	"M+K+CF3COOH"	152.95602
"801543"	310.2045	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M"	0
"984017"	291.18611	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-H2O-H"	-19.01839
"76268"	205.795724	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M-3H"	-3.021828
"518519"	309.197224	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M-3H"	-3.021828
"893996"	102.394224	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-3H"	-3.021828
"13666"	309.197224	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M-2H"	-2.014552
"452131"	464.299474	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M-2H"	-2.014552
"832528"	154.094974	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-2H"	-2.014552
"88831"	619.401724	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M-H"	-1.007276
"532524"	929.606224	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M-H"	-1.007276
"909718"	309.197224	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-H"	-1.007276
"57290"	636.428271	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M-2H+NH4"	16.019271
"494663"	946.632771	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M-2H+NH4"	16.019271
"877569"	326.223771	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-2H+NH4"	16.019271
"40368"	641.383666	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M-2H+Na"	20.974666
"482118"	951.588166	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M-2H+Na"	20.974666
"863570"	331.179166	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-2H+Na"	20.974666
"1632741"	331.179166	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Na-2H"	20.974666
"103804"	327.185563	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M-H+Cl"	33.962126
"545918"	482.287813	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M-H+Cl"	33.962126
"935785"	172.083313	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-H+Cl"	33.962126
"272150"	655.378402	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+Cl"	34.969402
"660322"	965.582902	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+Cl"	34.969402
"1273939"	345.173902	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Cl"	34.969402
"16249"	657.357606	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M-2H+K"	36.948606
"456416"	967.562106	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M-2H+K"	36.948606
"836895"	347.153106	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-2H+K"	36.948606
"1565857"	347.153106	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+K-2H"	36.948606
"948270"	355.202694	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-H+HCOOH"	44.998194
"375249"	665.407201	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+HCOOH-H"	44.998201
"361260"	679.422851	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+Hac-H"	59.013851
"1506134"	369.218351	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Hac-H"	59.013851
"971490"	377.184651	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-H+NaCOOH"	66.980151
"122953"	345.173902	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+2Cl"	69.938804
"564949"	500.276152	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+2Cl"	69.938804
"1033869"	190.071652	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2Cl"	69.938804
"1255515"	389.123385	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Br"	78.918885
"1318083"	391.179372	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Cl+HCOOH"	80.974872
"1334362"	413.161329	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Cl+NaCOOH"	102.956829
"916791"	423.190086	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M-H+CF3COOH"	112.985586
"1293497"	459.166764	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Cl+CF3COOH"	148.962264
"1372753"	275.191824	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H-2H2O"	-35.012676
"1392440"	293.2018	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H-H2O"	-17.0027
"291033"	621.416276	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+H"	1.007276
"689288"	931.620776	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+H"	1.007276
"1361991"	311.211776	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H"	1.007276
"137432"	311.211776	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+2H"	2.014552
"572252"	466.314026	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+2H"	2.014552
"1049801"	156.109526	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2H"	2.014552
"218065"	207.810276	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+3H"	3.021828
"658479"	311.211776	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+3H"	3.021828
"1177452"	104.408776	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+3H"	3.021828
"439146"	638.442823	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+NH4"	18.033823
"798559"	948.647323	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+NH4"	18.033823
"1693795"	328.238323	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+NH4"	18.033823
"337700"	319.7250495	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+H+NH4"	19.041099
"731217"	474.8272995	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+H+NH4"	19.041099
"1480663"	164.6227995	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H+NH4"	19.041099
"406279"	643.398218	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+Na"	22.989218
"761441"	953.602718	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+Na"	22.989218
"1610630"	333.193718	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Na"	22.989218
"319573"	322.202747	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+H+Na"	23.996494
"711993"	477.304997	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+H+Na"	23.996494
"1465813"	167.100497	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H+Na"	23.996494
"1057966"	111.73609	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2H+Na"	25.00377
"1260741"	343.237986	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+CH3OH+H"	33.033486
"382595"	659.372158	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+K"	38.963158
"743590"	969.576658	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+K"	38.963158
"1546741"	349.167658	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+K"	38.963158
"306103"	330.189717	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+H+K"	39.970434
"698524"	485.291967	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+H+K"	39.970434
"1455627"	175.087467	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H+K"	39.970434
"247508"	662.442826	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+ACN+H"	42.033826
"1219124"	352.238326	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+ACN+H"	42.033826
"1201912"	176.622801	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+ACN+2H"	43.041102
"196972"	665.38016	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+2Na-H"	44.97116
"639813"	975.58466	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+2Na-H"	44.97116
"1144047"	355.17566	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2Na-H"	44.97116
"182235"	333.193718	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+2Na"	45.978436
"617422"	488.295968	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+2Na"	45.978436
"1122021"	178.091468	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2Na"	45.978436
"1408826"	119.063404	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H+2Na"	46.985712
"1436569"	357.217246	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H+HCOOH"	47.012746
"227358"	338.22674	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+3H2O+2H"	56.04448
"1517608"	371.26929	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+IsoProp+H"	61.06479
"421670"	341.180688	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+Na+K"	61.952376
"776107"	496.282938	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+Na+K"	61.952376
"1674627"	186.078438	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Na+K"	61.952376
"261145"	684.424768	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+ACN+Na"	64.015768
"1237868"	374.220268	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+ACN+Na"	64.015768
"1721652"	374.243793	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+NH4+HCOOH"	64.039293
"1189195"	126.390718	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+3Na"	68.967654
"1659088"	379.199188	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Na+HCOOH"	68.994688
"164857"	697.32804	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+2K-H"	76.91904
"605509"	1007.53254	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+2K-H"	76.91904
"1087106"	387.12354	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2K-H"	76.91904
"145015"	349.167658	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"2M+2K"	77.926316
"587491"	504.269908	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"3M+2K"	77.926316
"1077474"	194.065408	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2K"	77.926316
"1105214"	389.138092	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2K+H"	78.933592
"1340507"	389.225707	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+DMSO+H"	79.021207
"1014501"	393.264876	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2ACN+H"	83.060376
"1529347"	394.258508	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+IsoProp+Na+H"	84.054008
"997982"	197.136076	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+2ACN+2H"	84.067652
"1593579"	395.173128	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+K+HCOOH"	84.968628
"1423612"	425.204638	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+H+CF3COOH"	115.000138
"1149525"	217.649351	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+3ACN+2H"	125.094202
"1697252"	442.231185	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+NH4+CF3COOH"	132.026685
"1636916"	447.18658	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+Na+CF3COOH"	136.98208
"1572934"	463.16052	"C10130"	"Astrocasine"	"C20H26N2O"	"310.2045"	"M+K+CF3COOH"	152.95602
"801472"	298.2045	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M"	0
"984127"	279.18611	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-H2O-H"	-19.01839
"70182"	197.795724	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M-3H"	-3.021828
"515210"	297.197224	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M-3H"	-3.021828
"888639"	98.394224	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-3H"	-3.021828
"12682"	297.197224	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M-2H"	-2.014552
"454307"	446.299474	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M-2H"	-2.014552
"832236"	148.094974	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-2H"	-2.014552
"88941"	595.401724	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M-H"	-1.007276
"533364"	893.606224	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M-H"	-1.007276
"910924"	297.197224	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-H"	-1.007276
"57400"	612.428271	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M-2H+NH4"	16.019271
"495866"	910.632771	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M-2H+NH4"	16.019271
"878288"	314.223771	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-2H+NH4"	16.019271
"40478"	617.383666	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M-2H+Na"	20.974666
"482228"	915.588166	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M-2H+Na"	20.974666
"863921"	319.179166	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-2H+Na"	20.974666
"1630665"	319.179166	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Na-2H"	20.974666
"107197"	315.185563	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M-H+Cl"	33.962126
"547850"	464.287813	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M-H+Cl"	33.962126
"940268"	166.083313	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-H+Cl"	33.962126
"275543"	631.378402	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+Cl"	34.969402
"669057"	929.582902	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+Cl"	34.969402
"1278182"	333.173902	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Cl"	34.969402
"18550"	633.357606	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M-2H+K"	36.948606
"462484"	931.562106	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M-2H+K"	36.948606
"837369"	335.153106	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-2H+K"	36.948606
"1560497"	335.153106	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+K-2H"	36.948606
"948382"	343.202694	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-H+HCOOH"	44.998194
"376326"	641.407201	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+HCOOH-H"	44.998201
"360898"	655.422851	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+Hac-H"	59.013851
"1507344"	357.218351	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Hac-H"	59.013851
"971235"	365.184651	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-H+NaCOOH"	66.980151
"125618"	333.173902	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+2Cl"	69.938804
"565180"	482.276152	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+2Cl"	69.938804
"1036289"	184.071652	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2Cl"	69.938804
"1256109"	377.123385	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Br"	78.918885
"1319655"	379.179372	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Cl+HCOOH"	80.974872
"1335490"	401.161329	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Cl+NaCOOH"	102.956829
"921276"	411.190086	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M-H+CF3COOH"	112.985586
"1297983"	447.166764	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Cl+CF3COOH"	148.962264
"1375051"	263.191824	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H-2H2O"	-35.012676
"1393643"	281.2018	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H-H2O"	-17.0027
"290048"	597.416276	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+H"	1.007276
"690126"	895.620776	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+H"	1.007276
"1363196"	299.211776	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H"	1.007276
"138636"	299.211776	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+2H"	2.014552
"580020"	448.314026	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+2H"	2.014552
"1051004"	150.109526	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2H"	2.014552
"215259"	199.810276	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+3H"	3.021828
"658710"	299.211776	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+3H"	3.021828
"1176592"	100.408776	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+3H"	3.021828
"438040"	614.442823	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+NH4"	18.033823
"797940"	912.647323	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+NH4"	18.033823
"1689531"	316.238323	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+NH4"	18.033823
"341091"	307.7250495	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+H+NH4"	19.041099
"731327"	456.8272995	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+H+NH4"	19.041099
"1480773"	158.6227995	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H+NH4"	19.041099
"408336"	619.398218	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+Na"	22.989218
"768112"	917.602718	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+Na"	22.989218
"1614022"	321.193718	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Na"	22.989218
"326249"	310.202747	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+H+Na"	23.996494
"716483"	459.304997	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+H+Na"	23.996494
"1469208"	161.100497	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H+Na"	23.996494
"1062454"	107.73609	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2H+Na"	25.00377
"1263040"	331.237986	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+CH3OH+H"	33.033486
"383802"	635.372158	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+K"	38.963158
"746986"	933.576658	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+K"	38.963158
"1553413"	337.167658	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+K"	38.963158
"311682"	318.189717	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+H+K"	39.970434
"704103"	467.291967	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+H+K"	39.970434
"1460110"	169.087467	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H+K"	39.970434
"249809"	638.442826	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+ACN+H"	42.033826
"1221424"	340.238326	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+ACN+H"	42.033826
"1208583"	170.622801	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+ACN+2H"	43.041102
"199271"	641.38016	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+2Na-H"	44.97116
"641017"	939.58466	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+2Na-H"	44.97116
"1137961"	343.17566	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2Na-H"	44.97116
"180157"	321.193718	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+2Na"	45.978436
"625185"	470.295968	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+2Na"	45.978436
"1121037"	172.091468	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2Na"	45.978436
"1412216"	115.063404	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H+2Na"	46.985712
"1436679"	345.217246	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H+HCOOH"	47.012746
"227468"	326.22674	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+3H2O+2H"	56.04448
"1520998"	359.26929	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+IsoProp+H"	61.06479
"421781"	329.180688	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+Na+K"	61.952376
"776217"	478.282938	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+Na+K"	61.952376
"1676924"	180.078438	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Na+K"	61.952376
"261257"	660.424768	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+ACN+Na"	64.015768
"1235063"	362.220268	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+ACN+Na"	64.015768
"1721763"	362.243793	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+NH4+HCOOH"	64.039293
"1188940"	122.390718	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+3Na"	68.967654
"1661383"	367.199188	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Na+HCOOH"	68.994688
"164965"	673.32804	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+2K-H"	76.91904
"605619"	971.53254	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+2K-H"	76.91904
"1087945"	375.12354	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2K-H"	76.91904
"148041"	337.167658	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"2M+2K"	77.926316
"586508"	486.269908	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"3M+2K"	77.926316
"1073210"	188.065408	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2K"	77.926316
"1107511"	377.138092	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2K+H"	78.933592
"1346084"	377.225707	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+DMSO+H"	79.021207
"1014611"	381.264876	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2ACN+H"	83.060376
"1533831"	382.258508	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+IsoProp+Na+H"	84.054008
"996999"	191.136076	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+2ACN+2H"	84.067652
"1596969"	383.173128	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+K+HCOOH"	84.968628
"1417160"	413.204638	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+H+CF3COOH"	115.000138
"1151822"	211.649351	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+3ACN+2H"	125.094202
"1699184"	430.231185	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+NH4+CF3COOH"	132.026685
"1635932"	435.18658	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+Na+CF3COOH"	136.98208
"1571951"	451.16052	"C10131"	"Astrophylline"	"C19H26N2O"	"298.2045"	"M+K+CF3COOH"	152.95602
"812893"	189.1001	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M"	0
"977675"	170.08171	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-H2O-H"	-19.01839
"67010"	125.059457333333	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M-3H"	-3.021828
"513130"	188.092824	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M-3H"	-3.021828
"888748"	62.0260906666667	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-3H"	-3.021828
"8415"	188.092824	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M-2H"	-2.014552
"453444"	282.642874	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M-2H"	-2.014552
"827967"	93.542774	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-2H"	-2.014552
"85769"	377.192924	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M-H"	-1.007276
"527518"	566.293024	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M-H"	-1.007276
"899491"	188.092824	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-H"	-1.007276
"52045"	394.219471	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M-2H+NH4"	16.019271
"494886"	583.319571	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M-2H+NH4"	16.019271
"875969"	205.119371	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-2H+NH4"	16.019271
"43872"	399.174866	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M-2H+Na"	20.974666
"483434"	588.274966	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M-2H+Na"	20.974666
"862330"	210.074766	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-2H+Na"	20.974666
"1631145"	210.074766	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Na-2H"	20.974666
"108032"	206.081163	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M-H+Cl"	33.962126
"547957"	300.631213	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M-H+Cl"	33.962126
"941469"	111.531113	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-H+Cl"	33.962126
"278935"	413.169602	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+Cl"	34.969402
"672447"	602.269702	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+Cl"	34.969402
"1279385"	224.069502	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Cl"	34.969402
"18662"	415.148806	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M-2H+K"	36.948606
"459316"	604.248906	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M-2H+K"	36.948606
"837117"	226.048706	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-2H+K"	36.948606
"1560605"	226.048706	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+K-2H"	36.948606
"948492"	234.098294	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-H+HCOOH"	44.998194
"375464"	423.198401	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+HCOOH-H"	44.998201
"359839"	437.214051	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+Hac-H"	59.013851
"1507816"	248.113951	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Hac-H"	59.013851
"971719"	256.080251	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-H+NaCOOH"	66.980151
"121354"	224.069502	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+2Cl"	69.938804
"561645"	318.619552	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+2Cl"	69.938804
"1033725"	129.519452	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2Cl"	69.938804
"1254762"	268.018985	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Br"	78.918885
"1317934"	270.074972	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Cl+HCOOH"	80.974872
"1334344"	292.056929	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Cl+NaCOOH"	102.956829
"917375"	302.085686	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M-H+CF3COOH"	112.985586
"1295906"	338.062364	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Cl+CF3COOH"	148.962264
"1378443"	154.087424	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H-2H2O"	-35.012676
"1394849"	172.0974	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H-H2O"	-17.0027
"294538"	379.207476	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+H"	1.007276
"688778"	568.307576	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+H"	1.007276
"1362211"	190.107376	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H"	1.007276
"136924"	190.107376	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+2H"	2.014552
"579035"	284.657426	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+2H"	2.014552
"1049659"	95.557326	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2H"	2.014552
"217560"	127.074009333333	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+3H"	3.021828
"657481"	190.107376	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+3H"	3.021828
"1175970"	64.0406426666667	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+3H"	3.021828
"437420"	396.234023	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+NH4"	18.033823
"799145"	585.334123	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+NH4"	18.033823
"1689644"	207.133923	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+NH4"	18.033823
"341202"	198.6206495	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+H+NH4"	19.041099
"728156"	293.1706995	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+H+NH4"	19.041099
"1481977"	104.0705995	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H+NH4"	19.041099
"406130"	401.189418	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+Na"	22.989218
"758381"	590.289518	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+Na"	22.989218
"1617290"	212.089318	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Na"	22.989218
"326357"	201.098347	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+H+Na"	23.996494
"717686"	295.648397	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+H+Na"	23.996494
"1472599"	106.548297	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H+Na"	23.996494
"1063660"	71.3679566666667	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2H+Na"	25.00377
"1267523"	222.133586	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+CH3OH+H"	33.033486
"391933"	417.163358	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+K"	38.963158
"749284"	606.263458	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+K"	38.963158
"1555573"	228.063258	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+K"	38.963158
"314200"	209.085317	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+H+K"	39.970434
"706986"	303.635367	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+H+K"	39.970434
"1461232"	114.535267	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H+K"	39.970434
"251318"	420.234026	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+ACN+H"	42.033826
"1225057"	231.133926	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+ACN+H"	42.033826
"1209669"	116.070601	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+ACN+2H"	43.041102
"201568"	423.17136	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+2Na-H"	44.97116
"641858"	612.27146	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+2Na-H"	44.97116
"1145851"	234.07126	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2Na-H"	44.97116
"186833"	212.089318	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+2Na"	45.978436
"627486"	306.639368	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+2Na"	45.978436
"1129898"	117.539268	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2Na"	45.978436
"1412694"	78.6952706666667	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H+2Na"	46.985712
"1442257"	236.112846	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H+HCOOH"	47.012746
"232684"	217.12234	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+3H2O+2H"	56.04448
"1521112"	250.16489	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+IsoProp+H"	61.06479
"422988"	220.076288	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+Na+K"	61.952376
"782526"	314.626338	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+Na+K"	61.952376
"1679227"	125.526238	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Na+K"	61.952376
"264286"	442.215968	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+ACN+Na"	64.015768
"1236997"	253.115868	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+ACN+Na"	64.015768
"1722968"	253.139393	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+NH4+HCOOH"	64.039293
"1188323"	86.0225846666667	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+3Na"	68.967654
"1660402"	258.094788	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Na+HCOOH"	68.994688
"163985"	455.11924	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+2K-H"	76.91904
"603543"	644.21934	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+2K-H"	76.91904
"1086964"	266.01914	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2K-H"	76.91904
"148153"	228.063258	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"2M+2K"	77.926316
"586622"	322.613308	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"3M+2K"	77.926316
"1076601"	133.513208	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2K"	77.926316
"1110906"	268.033692	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2K+H"	78.933592
"1341823"	268.121307	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+DMSO+H"	79.021207
"1019098"	272.160476	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2ACN+H"	83.060376
"1533942"	273.154108	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+IsoProp+Na+H"	84.054008
"997109"	136.583876	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+2ACN+2H"	84.067652
"1595988"	274.068728	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+K+HCOOH"	84.968628
"1417273"	304.100238	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+H+CF3COOH"	115.000138
"1151933"	157.097151	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+3ACN+2H"	125.094202
"1702580"	321.126785	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+NH4+CF3COOH"	132.026685
"1635676"	326.08218	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+Na+CF3COOH"	136.98208
"1572061"	342.05612	"C10132"	"Australine"	"C8H15NO4"	"189.1001"	"M+K+CF3COOH"	152.95602
"807535"	109.064	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M"	0
"976693"	90.04561	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-H2O-H"	-19.01839
"66026"	71.7020573333333	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M-3H"	-3.021828
"506680"	108.056724	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M-3H"	-3.021828
"888857"	35.3473906666667	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-3H"	-3.021828
"5245"	108.056724	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M-2H"	-2.014552
"450273"	162.588724	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M-2H"	-2.014552
"830628"	53.524724	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-2H"	-2.014552
"83693"	217.120724	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M-H"	-1.007276
"527628"	326.184724	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M-H"	-1.007276
"895955"	108.056724	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-H"	-1.007276
"49968"	234.147271	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M-2H+NH4"	16.019271
"487705"	343.211271	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M-2H+NH4"	16.019271
"870612"	125.083271	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-2H+NH4"	16.019271
"36328"	239.102666	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M-2H+Na"	20.974666
"482450"	348.166666	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M-2H+Na"	20.974666
"863533"	130.038666	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-2H+Na"	20.974666
"1631618"	130.038666	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Na-2H"	20.974666
"108143"	126.045063	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M-H+Cl"	33.962126
"546975"	180.577063	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M-H+Cl"	33.962126
"941578"	71.513063	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-H+Cl"	33.962126
"276858"	253.097402	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+Cl"	34.969402
"669275"	362.161402	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+Cl"	34.969402
"1279491"	144.033402	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Cl"	34.969402
"18770"	255.076606	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M-2H+K"	36.948606
"460518"	364.140606	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M-2H+K"	36.948606
"836133"	146.012606	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-2H+K"	36.948606
"1558528"	146.012606	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+K-2H"	36.948606
"949695"	154.062194	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-H+HCOOH"	44.998194
"376954"	263.126201	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+HCOOH-H"	44.998201
"361380"	277.141851	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+Hac-H"	59.013851
"1507563"	168.077851	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Hac-H"	59.013851
"973040"	176.044151	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-H+NaCOOH"	66.980151
"122924"	144.033402	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+2Cl"	69.938804
"563579"	198.565402	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+2Cl"	69.938804
"1035903"	89.501402	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2Cl"	69.938804
"1256327"	187.982885	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Br"	78.918885
"1318044"	190.038872	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Cl+HCOOH"	80.974872
"1334770"	212.020829	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Cl+NaCOOH"	102.956829
"920400"	222.049586	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M-H+CF3COOH"	112.985586
"1296016"	258.026264	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Cl+CF3COOH"	148.962264
"1378553"	74.051324	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H-2H2O"	-35.012676
"1394958"	92.0613	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H-H2O"	-17.0027
"295739"	219.135276	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+H"	1.007276
"688159"	328.199276	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+H"	1.007276
"1356855"	110.071276	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H"	1.007276
"130837"	110.071276	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+2H"	2.014552
"574771"	164.603276	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+2H"	2.014552
"1046850"	55.539276	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2H"	2.014552
"215483"	73.7166093333333	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+3H"	3.021828
"656498"	110.071276	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+3H"	3.021828
"1172434"	37.3619426666667	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+3H"	3.021828
"433520"	236.161823	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+NH4"	18.033823
"796339"	345.225823	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+NH4"	18.033823
"1688660"	127.097823	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+NH4"	18.033823
"338032"	118.5845495	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+H+NH4"	19.041099
"725350"	173.1165495	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+H+NH4"	19.041099
"1478074"	64.0525495	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H+NH4"	19.041099
"402960"	241.117218	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+Na"	22.989218
"761771"	350.181218	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+Na"	22.989218
"1615335"	132.053218	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Na"	22.989218
"326469"	121.062247	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+H+Na"	23.996494
"718891"	175.594247	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+H+Na"	23.996494
"1471618"	66.530247	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H+Na"	23.996494
"1065957"	44.6892566666667	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2H+Na"	25.00377
"1267633"	142.097486	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+CH3OH+H"	33.033486
"392407"	257.091158	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+K"	38.963158
"749394"	366.155158	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+K"	38.963158
"1554608"	148.027158	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+K"	38.963158
"313485"	129.049217	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+H+K"	39.970434
"706948"	183.581217	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+H+K"	39.970434
"1460331"	74.517217	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H+K"	39.970434
"250877"	260.161826	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+ACN+H"	42.033826
"1224195"	151.097826	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+ACN+H"	42.033826
"1208804"	76.052551	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+ACN+2H"	43.041102
"199492"	263.09916	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+2Na-H"	44.97116
"639051"	372.16316	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+2Na-H"	44.97116
"1143650"	154.03516	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2Na-H"	44.97116
"184391"	132.053218	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+2Na"	45.978436
"625044"	186.585218	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+2Na"	45.978436
"1125633"	77.521218	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2Na"	45.978436
"1409157"	52.0165706666667	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H+2Na"	46.985712
"1437993"	156.076746	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H+HCOOH"	47.012746
"231699"	137.08624	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+3H2O+2H"	56.04448
"1519034"	170.12879	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+IsoProp+H"	61.06479
"421640"	140.040188	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+Na+K"	61.952376
"784094"	194.572188	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+Na+K"	61.952376
"1679701"	85.508188	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Na+K"	61.952376
"265854"	282.143768	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+ACN+Na"	64.015768
"1237837"	173.079768	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+ACN+Na"	64.015768
"1725995"	173.103293	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+NH4+HCOOH"	64.039293
"1191348"	59.3438846666667	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+3Na"	68.967654
"1662699"	178.058688	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Na+HCOOH"	68.994688
"165187"	295.04704	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+2K-H"	76.91904
"602560"	404.11104	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+2K-H"	76.91904
"1088167"	185.98304	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2K-H"	76.91904
"148263"	148.027158	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"2M+2K"	77.926316
"586732"	202.559158	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"3M+2K"	77.926316
"1077804"	93.495158	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2K"	77.926316
"1111016"	187.997592	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2K+H"	78.933592
"1343026"	188.085207	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+DMSO+H"	79.021207
"1019208"	192.124376	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2ACN+H"	83.060376
"1531865"	193.118008	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+IsoProp+Na+H"	84.054008
"993938"	96.565826	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+2ACN+2H"	84.067652
"1591724"	194.032628	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+K+HCOOH"	84.968628
"1415316"	224.064138	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+H+CF3COOH"	115.000138
"1148762"	117.079101	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+3ACN+2H"	125.094202
"1701596"	241.090685	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+NH4+CF3COOH"	132.026685
"1634448"	246.04608	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+Na+CF3COOH"	136.98208
"1572170"	262.02002	"C10133"	"Brunfelsamidine"	"C5H7N3"	"109.064"	"M+K+CF3COOH"	152.95602
"804365"	285.0849	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M"	0
"975710"	266.06651	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-H2O-H"	-19.01839
"66136"	189.049324	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M-3H"	-3.021828
"506790"	284.077624	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M-3H"	-3.021828
"883500"	94.021024	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-3H"	-3.021828
"3168"	284.077624	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M-2H"	-2.014552
"447103"	426.620074	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M-2H"	-2.014552
"828186"	141.535174	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-2H"	-2.014552
"85990"	569.162524	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M-H"	-1.007276
"522271"	854.247424	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M-H"	-1.007276
"896795"	284.077624	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-H"	-1.007276
"48979"	586.189071	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M-2H+NH4"	16.019271
"487693"	871.273971	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M-2H+NH4"	16.019271
"870722"	301.104171	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-2H+NH4"	16.019271
"37531"	591.144466	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M-2H+Na"	20.974666
"482560"	876.229366	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M-2H+Na"	20.974666
"861822"	306.059566	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-2H+Na"	20.974666
"1632457"	306.059566	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Na-2H"	20.974666
"107527"	302.065963	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M-H+Cl"	33.962126
"546721"	444.608413	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M-H+Cl"	33.962126
"939867"	159.523513	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-H+Cl"	33.962126
"278790"	605.139202	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+Cl"	34.969402
"670478"	890.224102	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+Cl"	34.969402
"1279601"	320.054302	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Cl"	34.969402
"24344"	607.118406	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M-2H+K"	36.948606
"457346"	892.203306	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M-2H+K"	36.948606
"838429"	322.033506	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-2H+K"	36.948606
"1559728"	322.033506	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+K-2H"	36.948606
"946521"	330.083094	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-H+HCOOH"	44.998194
"368019"	615.168001	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+HCOOH-H"	44.998201
"360418"	629.183651	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+Hac-H"	59.013851
"1507794"	344.098751	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Hac-H"	59.013851
"973998"	352.065051	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-H+NaCOOH"	66.980151
"124856"	320.054302	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+2Cl"	69.938804
"562956"	462.596752	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+2Cl"	69.938804
"1036820"	177.511852	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2Cl"	69.938804
"1256315"	364.003785	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Br"	78.918885
"1318517"	366.059772	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Cl+HCOOH"	80.974872
"1335042"	388.041729	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Cl+NaCOOH"	102.956829
"917230"	398.070486	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M-H+CF3COOH"	112.985586
"1293937"	434.047164	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Cl+CF3COOH"	148.962264
"1381094"	250.072224	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H-2H2O"	-35.012676
"1392514"	268.0822	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H-H2O"	-17.0027
"292568"	571.177076	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+H"	1.007276
"684987"	856.261976	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+H"	1.007276
"1355872"	286.092176	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H"	1.007276
"130947"	286.092176	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+2H"	2.014552
"574881"	428.634626	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+2H"	2.014552
"1045867"	143.549726	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2H"	2.014552
"211582"	191.063876	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+3H"	3.021828
"656607"	286.092176	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+3H"	3.021828
"1169264"	96.035576	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+3H"	3.021828
"433630"	588.203623	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+NH4"	18.033823
"795717"	873.288523	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+NH4"	18.033823
"1685490"	303.118723	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+NH4"	18.033823
"338142"	294.6054495	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+H+NH4"	19.041099
"725096"	437.1478995	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+H+NH4"	19.041099
"1477452"	152.0629995	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H+NH4"	19.041099
"403070"	593.159018	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+Na"	22.989218
"761881"	878.243918	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+Na"	22.989218
"1615445"	308.074118	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Na"	22.989218
"325486"	297.083147	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+H+Na"	23.996494
"719001"	439.625597	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+H+Na"	23.996494
"1469541"	154.540697	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H+Na"	23.996494
"1064974"	103.36289	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2H+Na"	25.00377
"1265557"	318.118386	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+CH3OH+H"	33.033486
"391424"	609.132958	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+K"	38.963158
"750597"	894.217858	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+K"	38.963158
"1553747"	324.048058	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+K"	38.963158
"312016"	305.070117	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+H+K"	39.970434
"706827"	447.612567	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+H+K"	39.970434
"1458984"	162.527667	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H+K"	39.970434
"249772"	612.203626	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+ACN+H"	42.033826
"1223939"	327.118726	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+ACN+H"	42.033826
"1205633"	164.063001	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+ACN+2H"	43.041102
"202150"	615.14096	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+2Na-H"	44.97116
"640982"	900.22586	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+2Na-H"	44.97116
"1139385"	330.05606	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2Na-H"	44.97116
"178301"	308.074118	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+2Na"	45.978436
"620049"	450.616568	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+2Na"	45.978436
"1119180"	165.531668	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2Na"	45.978436
"1399424"	110.690204	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H+2Na"	46.985712
"1437008"	332.097646	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H+HCOOH"	47.012746
"224516"	313.10714	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+3H2O+2H"	56.04448
"1519142"	346.14969	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+IsoProp+H"	61.06479
"422110"	316.061088	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+Na+K"	61.952376
"779830"	458.603538	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+Na+K"	61.952376
"1678352"	173.518638	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Na+K"	61.952376
"265600"	634.185568	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+ACN+Na"	64.015768
"1239403"	349.100668	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+ACN+Na"	64.015768
"1724282"	349.124193	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+NH4+HCOOH"	64.039293
"1190365"	118.017518	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+3Na"	68.967654
"1659529"	354.079588	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Na+HCOOH"	68.994688
"165297"	647.08884	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+2K-H"	76.91904
"604857"	932.17374	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+2K-H"	76.91904
"1091555"	362.00394	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2K-H"	76.91904
"149464"	324.048058	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"2M+2K"	77.926316
"586839"	466.590508	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"3M+2K"	77.926316
"1079007"	181.505608	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2K"	77.926316
"1107846"	364.018492	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2K+H"	78.933592
"1346413"	364.106107	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+DMSO+H"	79.021207
"1017131"	368.145276	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2ACN+H"	83.060376
"1530882"	369.138908	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+IsoProp+Na+H"	84.054008
"995141"	184.576276	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+2ACN+2H"	84.067652
"1592927"	370.053528	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+K+HCOOH"	84.968628
"1414575"	400.085038	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+H+CF3COOH"	115.000138
"1148871"	205.089551	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+3ACN+2H"	125.094202
"1701706"	417.111585	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+NH4+CF3COOH"	132.026685
"1634800"	422.06698	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+Na+CF3COOH"	136.98208
"1571469"	438.04092	"C10134"	"Buchananine"	"C12H15NO7"	"285.0849"	"M+K+CF3COOH"	152.95602
"804475"	478.3771	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M"	0
"975820"	459.35871	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-H2O-H"	-19.01839
"66246"	317.910790666667	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M-3H"	-3.021828
"506900"	477.369824	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M-3H"	-3.021828
"883610"	158.451757333333	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-3H"	-3.021828
"4371"	477.369824	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M-2H"	-2.014552
"446120"	716.558374	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M-2H"	-2.014552
"825016"	238.181274	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-2H"	-2.014552
"86100"	955.746924	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M-H"	-1.007276
"524568"	1434.124024	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M-H"	-1.007276
"896903"	477.369824	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-H"	-1.007276
"50909"	972.773471	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M-2H+NH4"	16.019271
"489380"	1451.150571	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M-2H+NH4"	16.019271
"866816"	494.396371	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-2H+NH4"	16.019271
"33265"	977.728866	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M-2H+Na"	20.974666
"475013"	1456.105966	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M-2H+Na"	20.974666
"855005"	499.351766	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-2H+Na"	20.974666
"1632564"	499.351766	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Na-2H"	20.974666
"107634"	495.358163	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M-H+Cl"	33.962126
"547924"	734.546713	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M-H+Cl"	33.962126
"937426"	256.169613	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-H+Cl"	33.962126
"278899"	991.723602	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+Cl"	34.969402
"662934"	1470.100702	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+Cl"	34.969402
"1275338"	513.346502	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Cl"	34.969402
"23361"	993.702806	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M-2H+K"	36.948606
"457577"	1472.079906	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M-2H+K"	36.948606
"834041"	515.325706	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-2H+K"	36.948606
"1558745"	515.325706	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+K-2H"	36.948606
"947724"	523.375294	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-H+HCOOH"	44.998194
"369222"	1001.752401	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+HCOOH-H"	44.998201
"360769"	1015.768051	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+Hac-H"	59.013851
"1507780"	537.390951	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Hac-H"	59.013851
"969123"	545.357251	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-H+NaCOOH"	66.980151
"123507"	513.346502	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+2Cl"	69.938804
"563433"	752.535052	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+2Cl"	69.938804
"1036970"	274.157952	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2Cl"	69.938804
"1255087"	557.295985	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Br"	78.918885
"1317169"	559.351972	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Cl+HCOOH"	80.974872
"1334909"	581.333929	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Cl+NaCOOH"	102.956829
"920620"	591.362686	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M-H+CF3COOH"	112.985586
"1295141"	627.339364	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Cl+CF3COOH"	148.962264
"1381447"	443.364424	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H-2H2O"	-35.012676
"1392988"	461.3744	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H-H2O"	-17.0027
"292679"	957.761476	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+H"	1.007276
"687284"	1436.138576	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+H"	1.007276
"1355982"	479.384376	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H"	1.007276
"134337"	479.384376	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+2H"	2.014552
"573898"	718.572926	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+2H"	2.014552
"1047070"	240.195826	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2H"	2.014552
"212785"	319.925342666667	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+3H"	3.021828
"657446"	479.384376	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+3H"	3.021828
"1173019"	160.466309333333	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+3H"	3.021828
"434833"	974.788023	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+NH4"	18.033823
"794734"	1453.165123	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+NH4"	18.033823
"1688880"	496.410923	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+NH4"	18.033823
"338252"	487.8976495	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+H+NH4"	19.041099
"728486"	727.0861995	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+H+NH4"	19.041099
"1478417"	248.7090995	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H+NH4"	19.041099
"403180"	979.743418	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+Na"	22.989218
"761991"	1458.120518	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+Na"	22.989218
"1615555"	501.366318	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Na"	22.989218
"325593"	490.375347	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+H+Na"	23.996494
"714736"	729.563897	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+H+Na"	23.996494
"1471836"	251.186797	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H+Na"	23.996494
"1062897"	167.793623333333	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2H+Na"	25.00377
"1264575"	511.410586	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+CH3OH+H"	33.033486
"388618"	995.717358	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+K"	38.963158
"751801"	1474.094458	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+K"	38.963158
"1553008"	517.340258	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+K"	38.963158
"312490"	498.362317	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+H+K"	39.970434
"705638"	737.550867	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+H+K"	39.970434
"1460069"	259.173767	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H+K"	39.970434
"249518"	998.788026	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+ACN+H"	42.033826
"1223686"	520.410926	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+ACN+H"	42.033826
"1207930"	260.709101	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+ACN+2H"	43.041102
"202989"	1001.72536	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+2Na-H"	44.97116
"642186"	1480.10246	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+2Na-H"	44.97116
"1139495"	523.34826	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2Na-H"	44.97116
"179504"	501.366318	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+2Na"	45.978436
"620159"	740.554868	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+2Na"	45.978436
"1119290"	262.177768	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2Na"	45.978436
"1399898"	175.120937333333	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H+2Na"	46.985712
"1437118"	525.389846	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H+HCOOH"	47.012746
"223532"	506.39934	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+3H2O+2H"	56.04448
"1519252"	539.44189	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+IsoProp+H"	61.06479
"421857"	509.353288	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+Na+K"	61.952376
"783584"	748.541838	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+Na+K"	61.952376
"1680892"	270.164738	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Na+K"	61.952376
"265345"	1020.769968	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+ACN+Na"	64.015768
"1240366"	542.392868	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+ACN+Na"	64.015768
"1725122"	542.416393	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+NH4+HCOOH"	64.039293
"1190475"	182.448251333333	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+3Na"	68.967654
"1660732"	547.371788	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Na+HCOOH"	68.994688
"165408"	1033.67324	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+2K-H"	76.91904
"606062"	1512.05034	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+2K-H"	76.91904
"1092759"	555.29614	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2K-H"	76.91904
"151762"	517.340258	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"2M+2K"	77.926316
"586949"	756.528808	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"3M+2K"	77.926316
"1076930"	278.151708	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2K"	77.926316
"1107955"	557.310692	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2K+H"	78.933592
"1343244"	557.398307	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+DMSO+H"	79.021207
"1018212"	561.437476	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2ACN+H"	83.060376
"1532085"	562.431108	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+IsoProp+Na+H"	84.054008
"993065"	281.222376	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+2ACN+2H"	84.067652
"1593037"	563.345728	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+K+HCOOH"	84.968628
"1415415"	593.377238	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+H+CF3COOH"	115.000138
"1148980"	301.735651	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+3ACN+2H"	125.094202
"1699629"	610.403785	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+NH4+CF3COOH"	132.026685
"1635032"	615.35918	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+Na+CF3COOH"	136.98208
"1571701"	631.33312	"C10135"	"Carpaine"	"C28H50N2O4"	"478.3771"	"M+K+CF3COOH"	152.95602
"807865"	297.2668	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M"	0
"975929"	278.24841	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-H2O-H"	-19.01839
"65629"	197.170590666667	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M-3H"	-3.021828
"505918"	296.259524	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M-3H"	-3.021828
"887000"	98.0816573333333	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-3H"	-3.021828
"4482"	296.259524	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M-2H"	-2.014552
"444044"	444.892924	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M-2H"	-2.014552
"828407"	147.626124	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-2H"	-2.014552
"84025"	593.526324	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M-H"	-1.007276
"524678"	890.793124	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M-H"	-1.007276
"897379"	296.259524	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-H"	-1.007276
"55766"	610.552871	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M-2H+NH4"	16.019271
"489610"	907.819671	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M-2H+NH4"	16.019271
"867293"	313.286071	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-2H+NH4"	16.019271
"33375"	615.508266	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M-2H+Na"	20.974666
"472937"	912.775066	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M-2H+Na"	20.974666
"855115"	318.241466	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-2H+Na"	20.974666
"1631941"	318.241466	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Na-2H"	20.974666
"107377"	314.247863	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M-H+Cl"	33.962126
"546211"	462.881263	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M-H+Cl"	33.962126
"939722"	165.614463	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-H+Cl"	33.962126
"279374"	629.503002	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+Cl"	34.969402
"666325"	926.769802	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+Cl"	34.969402
"1278730"	332.236202	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Cl"	34.969402
"22378"	631.482206	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M-2H+K"	36.948606
"459754"	928.749006	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M-2H+K"	36.948606
"839741"	334.215406	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-2H+K"	36.948606
"1564324"	334.215406	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+K-2H"	36.948606
"951114"	342.264994	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-H+HCOOH"	44.998194
"367143"	639.531801	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+HCOOH-H"	44.998201
"355406"	653.547451	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+Hac-H"	59.013851
"1503877"	356.280651	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Hac-H"	59.013851
"971421"	364.246951	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-H+NaCOOH"	66.980151
"124586"	332.236202	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+2Cl"	69.938804
"563169"	480.869602	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+2Cl"	69.938804
"1031236"	183.602802	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2Cl"	69.938804
"1253003"	376.185685	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Br"	78.918885
"1316182"	378.241672	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Cl+HCOOH"	80.974872
"1332586"	400.223629	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Cl+NaCOOH"	102.956829
"924375"	410.252386	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M-H+CF3COOH"	112.985586
"1297439"	446.229064	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Cl+CF3COOH"	148.962264
"1375597"	262.254124	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H-2H2O"	-35.012676
"1388721"	280.2641	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H-H2O"	-17.0027
"296065"	595.540876	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+H"	1.007276
"688486"	892.807676	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+H"	1.007276
"1362651"	298.274076	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H"	1.007276
"135541"	298.274076	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+2H"	2.014552
"572914"	446.907476	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+2H"	2.014552
"1046087"	149.640676	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2H"	2.014552
"212895"	199.185142666667	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+3H"	3.021828
"657556"	298.274076	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+3H"	3.021828
"1177504"	100.096209333333	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+3H"	3.021828
"438954"	612.567423	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+NH4"	18.033823
"797761"	909.834223	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+NH4"	18.033823
"1696281"	315.300623	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+NH4"	18.033823
"337267"	306.7873495	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+H+NH4"	19.041099
"728596"	455.4207495	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+H+NH4"	19.041099
"1478163"	158.1539495	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H+NH4"	19.041099
"406571"	617.522818	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+Na"	22.989218
"762101"	914.789618	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+Na"	22.989218
"1617735"	320.256018	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Na"	22.989218
"328741"	309.265047	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+H+Na"	23.996494
"720313"	457.898447	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+H+Na"	23.996494
"1467572"	160.631647	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H+Na"	23.996494
"1066286"	107.423523333333	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2H+Na"	25.00377
"1271246"	330.300286	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+CH3OH+H"	33.033486
"391281"	633.496758	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+K"	38.963158
"752645"	930.763558	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+K"	38.963158
"1554453"	336.229958	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+K"	38.963158
"312603"	317.252017	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+H+K"	39.970434
"705748"	465.885417	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+H+K"	39.970434
"1460299"	168.618617	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H+K"	39.970434
"249265"	636.567426	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+ACN+H"	42.033826
"1224645"	339.300626	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+ACN+H"	42.033826
"1208769"	170.153951	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+ACN+2H"	43.041102
"199817"	639.50476	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+2Na-H"	44.97116
"635003"	936.77156	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+2Na-H"	44.97116
"1138509"	342.23796	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2Na-H"	44.97116
"180706"	320.256018	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+2Na"	45.978436
"614800"	468.889418	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+2Na"	45.978436
"1121586"	171.622618	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2Na"	45.978436
"1400735"	114.750837333333	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H+2Na"	46.985712
"1438321"	344.279546	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H+HCOOH"	47.012746
"222548"	325.28904	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+3H2O+2H"	56.04448
"1517175"	358.33159	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+IsoProp+H"	61.06479
"421968"	328.242988	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+Na+K"	61.952376
"783695"	476.876388	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+Na+K"	61.952376
"1681165"	179.609588	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Na+K"	61.952376
"266428"	658.549368	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+ACN+Na"	64.015768
"1239866"	361.282568	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+ACN+Na"	64.015768
"1727661"	361.306093	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+NH4+HCOOH"	64.039293
"1192042"	122.078151333333	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+3Na"	68.967654
"1663029"	366.261488	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Na+HCOOH"	68.994688
"165518"	671.45264	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+2K-H"	76.91904
"606170"	968.71944	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+2K-H"	76.91904
"1092871"	374.18584	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2K-H"	76.91904
"152965"	336.229958	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"2M+2K"	77.926316
"585968"	484.863358	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"3M+2K"	77.926316
"1073761"	187.596558	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2K"	77.926316
"1106972"	376.200392	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2K+H"	78.933592
"1341167"	376.288007	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+DMSO+H"	79.021207
"1011884"	380.327176	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2ACN+H"	83.060376
"1528916"	381.320808	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+IsoProp+Na+H"	84.054008
"996458"	190.667226	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+2ACN+2H"	84.067652
"1593147"	382.235428	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+K+HCOOH"	84.968628
"1417714"	412.266938	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+H+CF3COOH"	115.000138
"1149091"	211.180501	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+3ACN+2H"	125.094202
"1699010"	429.293485	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+NH4+CF3COOH"	132.026685
"1634780"	434.24888	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+Na+CF3COOH"	136.98208
"1572136"	450.22282	"C10136"	"Cassine"	"C18H35NO2"	"297.2668"	"M+K+CF3COOH"	152.95602
"801777"	267.1471	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M"	0
"975187"	248.12871	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-H2O-H"	-19.01839
"66466"	177.090790666667	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M-3H"	-3.021828
"506028"	266.139824	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M-3H"	-3.021828
"888204"	88.0417573333333	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-3H"	-3.021828
"3498"	266.139824	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M-2H"	-2.014552
"447434"	399.713374	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M-2H"	-2.014552
"828517"	132.566274	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-2H"	-2.014552
"84135"	533.286924	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M-H"	-1.007276
"525881"	800.434024	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M-H"	-1.007276
"898214"	266.139824	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-H"	-1.007276
"51503"	550.313471	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M-2H+NH4"	16.019271
"489598"	817.460571	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M-2H+NH4"	16.019271
"866674"	283.166371	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-2H+NH4"	16.019271
"32513"	555.268866	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M-2H+Na"	20.974666
"472196"	822.415966	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M-2H+Na"	20.974666
"855225"	288.121766	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-2H+Na"	20.974666
"1632051"	288.121766	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Na-2H"	20.974666
"107851"	284.128163	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M-H+Cl"	33.962126
"548870"	417.701713	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M-H+Cl"	33.962126
"939832"	150.554613	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-H+Cl"	33.962126
"281308"	569.263602	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+Cl"	34.969402
"669715"	836.410702	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+Cl"	34.969402
"1281027"	302.116502	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Cl"	34.969402
"22488"	571.242806	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M-2H+K"	36.948606
"458770"	838.389906	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M-2H+K"	36.948606
"836571"	304.095706	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-2H+K"	36.948606
"1564434"	304.095706	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+K-2H"	36.948606
"951224"	312.145294	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-H+HCOOH"	44.998194
"367253"	579.292401	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+HCOOH-H"	44.998201
"355516"	593.308051	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+Hac-H"	59.013851
"1502891"	326.160951	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Hac-H"	59.013851
"967519"	334.127251	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-H+NaCOOH"	66.980151
"118246"	302.116502	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+2Cl"	69.938804
"559263"	435.690052	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+2Cl"	69.938804
"1031346"	168.542952	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2Cl"	69.938804
"1247644"	346.065985	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Br"	78.918885
"1311189"	348.121972	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Cl+HCOOH"	80.974872
"1324312"	370.103929	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Cl+NaCOOH"	102.956829
"919746"	380.132686	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M-H+CF3COOH"	112.985586
"1297549"	416.109364	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Cl+CF3COOH"	148.962264
"1371335"	232.134424	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H-2H2O"	-35.012676
"1384822"	250.1444	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H-H2O"	-17.0027
"291801"	535.301476	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+H"	1.007276
"685316"	802.448576	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+H"	1.007276
"1361666"	268.154376	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H"	1.007276
"131277"	268.154376	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+2H"	2.014552
"573024"	401.727926	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+2H"	2.014552
"1041823"	134.580826	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2H"	2.014552
"206808"	179.105342666667	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+3H"	3.021828
"654750"	268.154376	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+3H"	3.021828
"1175061"	90.0563093333333	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+3H"	3.021828
"437240"	552.328023	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+NH4"	18.033823
"792768"	819.475123	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+NH4"	18.033823
"1692380"	285.180923	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+NH4"	18.033823
"337377"	276.6676495	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+H+NH4"	19.041099
"728706"	410.2411995	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+H+NH4"	19.041099
"1478273"	143.0940995	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H+NH4"	19.041099
"405588"	557.283418	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+Na"	22.989218
"765490"	824.430518	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+Na"	22.989218
"1613588"	290.136318	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Na"	22.989218
"328001"	279.145347	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+H+Na"	23.996494
"717143"	412.718897	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+H+Na"	23.996494
"1467682"	145.571797	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H+Na"	23.996494
"1063117"	97.3836233333333	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2H+Na"	25.00377
"1266982"	300.180586	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+CH3OH+H"	33.033486
"389931"	573.257358	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+K"	38.963158
"749834"	840.404458	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+K"	38.963158
"1554074"	306.110258	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+K"	38.963158
"310889"	287.132317	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+H+K"	39.970434
"703672"	420.705867	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+H+K"	39.970434
"1457494"	153.558767	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H+K"	39.970434
"247917"	576.328026	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+ACN+H"	42.033826
"1223538"	309.180926	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+ACN+H"	42.033826
"1205963"	155.094101	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+ACN+2H"	43.041102
"196647"	579.26536	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+2Na-H"	44.97116
"634020"	846.41246	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+2Na-H"	44.97116
"1135339"	312.11826	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2Na-H"	44.97116
"179723"	290.136318	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+2Na"	45.978436
"613569"	423.709868	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+2Na"	45.978436
"1118537"	156.562768	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2Na"	45.978436
"1398892"	104.710937333333	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H+2Na"	46.985712
"1436244"	314.159846	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H+HCOOH"	47.012746
"221927"	295.16934	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+3H2O+2H"	56.04448
"1516192"	328.21189	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+IsoProp+H"	61.06479
"421712"	298.123288	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+Na+K"	61.952376
"784900"	431.696838	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+Na+K"	61.952376
"1681134"	164.549738	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Na+K"	61.952376
"266946"	598.309968	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+ACN+Na"	64.015768
"1239855"	331.162868	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+ACN+Na"	64.015768
"1727770"	331.186393	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+NH4+HCOOH"	64.039293
"1192152"	112.038251333333	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+3Na"	68.967654
"1660952"	336.141788	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Na+HCOOH"	68.994688
"165627"	611.21324	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+2K-H"	76.91904
"601907"	878.36034	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+2K-H"	76.91904
"1094074"	344.06614	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2K-H"	76.91904
"147609"	306.110258	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"2M+2K"	77.926316
"586077"	439.683808	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"3M+2K"	77.926316
"1073869"	172.536708	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2K"	77.926316
"1105987"	346.080692	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2K+H"	78.933592
"1341277"	346.168307	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+DMSO+H"	79.021207
"1010900"	350.207476	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2ACN+H"	83.060376
"1529026"	351.201108	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+IsoProp+Na+H"	84.054008
"995475"	175.607376	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+2ACN+2H"	84.067652
"1593257"	352.115728	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+K+HCOOH"	84.968628
"1417824"	382.147238	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+H+CF3COOH"	115.000138
"1149203"	196.120651	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+3ACN+2H"	125.094202
"1697663"	399.173785	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+NH4+CF3COOH"	132.026685
"1635253"	404.12918	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+Na+CF3COOH"	136.98208
"1571880"	420.10312	"C10137"	"Codonopsine"	"C14H21NO4"	"267.1471"	"M+K+CF3COOH"	152.95602
"802617"	125.1204	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M"	0
"975055"	106.10201	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-H2O-H"	-19.01839
"65485"	82.406324	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M-3H"	-3.021828
"507232"	124.113124	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M-3H"	-3.021828
"894998"	40.699524	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-3H"	-3.021828
"6889"	124.113124	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M-2H"	-2.014552
"447544"	186.673324	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M-2H"	-2.014552
"829358"	61.552924	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-2H"	-2.014552
"84245"	249.233524	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M-H"	-1.007276
"530365"	374.353924	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M-H"	-1.007276
"899054"	124.113124	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-H"	-1.007276
"48696"	266.260071	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M-2H+NH4"	16.019271
"487767"	391.380471	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M-2H+NH4"	16.019271
"868972"	141.139671	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-2H+NH4"	16.019271
"34689"	271.215466	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M-2H+Na"	20.974666
"475344"	396.335866	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M-2H+Na"	20.974666
"853147"	146.095066	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-2H+Na"	20.974666
"1632525"	146.095066	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Na-2H"	20.974666
"107597"	142.101463	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M-H+Cl"	33.962126
"548980"	204.661663	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M-H+Cl"	33.962126
"941040"	79.541263	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-H+Cl"	33.962126
"281785"	285.210202	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+Cl"	34.969402
"669826"	410.330602	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+Cl"	34.969402
"1281137"	160.089802	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Cl"	34.969402
"20411"	287.189406	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M-2H+K"	36.948606
"459974"	412.309806	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M-2H+K"	36.948606
"836681"	162.069006	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-2H+K"	36.948606
"1564544"	162.069006	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+K-2H"	36.948606
"950241"	170.118594	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-H+HCOOH"	44.998194
"366270"	295.239001	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+HCOOH-H"	44.998201
"354533"	309.254651	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+Hac-H"	59.013851
"1501179"	184.134251	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Hac-H"	59.013851
"964343"	192.100551	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-H+NaCOOH"	66.980151
"118720"	160.089802	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+2Cl"	69.938804
"559372"	222.650002	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+2Cl"	69.938804
"1030363"	97.529602	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2Cl"	69.938804
"1247755"	204.039285	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Br"	78.918885
"1310206"	206.095272	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Cl+HCOOH"	80.974872
"1324422"	228.077229	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Cl+NaCOOH"	102.956829
"919856"	238.105986	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M-H+CF3COOH"	112.985586
"1294379"	274.082664	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Cl+CF3COOH"	148.962264
"1372539"	90.107724	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H-2H2O"	-35.012676
"1391130"	108.1177	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H-H2O"	-17.0027
"294099"	251.248076	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+H"	1.007276
"684335"	376.368476	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+H"	1.007276
"1357402"	126.127676	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H"	1.007276
"129201"	126.127676	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+2H"	2.014552
"572041"	188.687876	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+2H"	2.014552
"1037434"	63.567476	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2H"	2.014552
"205095"	84.420876	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+3H"	3.021828
"649393"	126.127676	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+3H"	3.021828
"1168611"	42.714076	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+3H"	3.021828
"433706"	268.274623	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+NH4"	18.033823
"792878"	393.395023	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+NH4"	18.033823
"1692490"	143.154223	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+NH4"	18.033823
"333114"	134.6409495	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+H+NH4"	19.041099
"728816"	197.2011495	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+H+NH4"	19.041099
"1477532"	72.0807495	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H+NH4"	19.041099
"404605"	273.230018	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+Na"	22.989218
"765601"	398.350418	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+Na"	22.989218
"1615885"	148.109618	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Na"	22.989218
"324830"	137.118647	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+H+Na"	23.996494
"720532"	199.678847	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+H+Na"	23.996494
"1472167"	74.558447	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H+Na"	23.996494
"1063227"	50.04139	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2H+Na"	25.00377
"1269280"	158.153886	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+CH3OH+H"	33.033486
"390407"	289.203958	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+K"	38.963158
"752860"	414.324358	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+K"	38.963158
"1552365"	164.083558	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+K"	38.963158
"311365"	145.105617	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+H+K"	39.970434
"705969"	207.665817	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+H+K"	39.970434
"1457604"	82.545417	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H+K"	39.970434
"248756"	292.274626	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+ACN+H"	42.033826
"1222190"	167.154226	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+ACN+H"	42.033826
"1204980"	84.080751	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+ACN+2H"	43.041102
"197850"	295.21196	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+2Na-H"	44.97116
"635223"	420.33236	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+2Na-H"	44.97116
"1135449"	170.09156	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2Na-H"	44.97116
"175093"	148.109618	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+2Na"	45.978436
"613316"	210.669818	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+2Na"	45.978436
"1118647"	85.549418	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2Na"	45.978436
"1398802"	57.368704	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H+2Na"	46.985712
"1434167"	172.133146	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H+HCOOH"	47.012746
"220457"	153.14264	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+3H2O+2H"	56.04448
"1516302"	186.18519	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+IsoProp+H"	61.06479
"421092"	156.096588	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+Na+K"	61.952376
"785131"	218.656788	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+Na+K"	61.952376
"1680980"	93.536388	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Na+K"	61.952376
"267013"	314.256568	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+ACN+Na"	64.015768
"1240817"	189.136168	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+ACN+Na"	64.015768
"1728124"	189.159693	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+NH4+HCOOH"	64.039293
"1193358"	64.696018	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+3Na"	68.967654
"1663249"	194.115088	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Na+HCOOH"	68.994688
"161727"	327.15984	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+2K-H"	76.91904
"604204"	452.28024	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+2K-H"	76.91904
"1094184"	202.03944	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2K-H"	76.91904
"154281"	164.083558	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"2M+2K"	77.926316
"589468"	226.643758	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"3M+2K"	77.926316
"1072885"	101.523358	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2K"	77.926316
"1109377"	204.053992	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2K+H"	78.933592
"1342481"	204.141607	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+DMSO+H"	79.021207
"1011011"	208.180776	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2ACN+H"	83.060376
"1529136"	209.174408	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+IsoProp+Na+H"	84.054008
"995585"	104.594026	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+2ACN+2H"	84.067652
"1594460"	210.089028	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+K+HCOOH"	84.968628
"1417934"	240.120538	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+H+CF3COOH"	115.000138
"1149313"	125.107301	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+3ACN+2H"	125.094202
"1699960"	257.147085	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+NH4+CF3COOH"	132.026685
"1635242"	262.10248	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+Na+CF3COOH"	136.98208
"1573450"	278.07642	"C10138"	"gamma-Coniceine"	"C8H15N"	"125.1204"	"M+K+CF3COOH"	152.95602
"808194"	261.2093	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M"	0
"975165"	242.19091	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-H2O-H"	-19.01839
"65594"	173.132257333333	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M-3H"	-3.021828
"509529"	260.202024	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M-3H"	-3.021828
"893893"	86.0624906666666	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-3H"	-3.021828
"10279"	260.202024	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M-2H"	-2.014552
"452029"	390.806674	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M-2H"	-2.014552
"826554"	129.597374	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-2H"	-2.014552
"87634"	521.411324	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M-H"	-1.007276
"525006"	782.620624	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M-H"	-1.007276
"897345"	260.202024	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-H"	-1.007276
"47383"	538.437871	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M-2H+NH4"	16.019271
"488121"	799.647171	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M-2H+NH4"	16.019271
"864422"	277.228571	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-2H+NH4"	16.019271
"34799"	543.393266	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M-2H+Na"	20.974666
"479828"	804.602566	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M-2H+Na"	20.974666
"854351"	282.183966	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-2H+Na"	20.974666
"1630449"	282.183966	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Na-2H"	20.974666
"106250"	278.190363	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M-H+Cl"	33.962126
"548241"	408.795013	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M-H+Cl"	33.962126
"942721"	147.585713	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-H+Cl"	33.962126
"282016"	557.388002	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+Cl"	34.969402
"669936"	818.597302	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+Cl"	34.969402
"1281247"	296.178702	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Cl"	34.969402
"17241"	559.367206	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M-2H+K"	36.948606
"460084"	820.576506	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M-2H+K"	36.948606
"835697"	298.157906	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-2H+K"	36.948606
"1562467"	298.157906	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+K-2H"	36.948606
"948163"	306.207494	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-H+HCOOH"	44.998194
"365650"	567.416801	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+HCOOH-H"	44.998201
"351358"	581.432451	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+Hac-H"	59.013851
"1496911"	320.223151	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Hac-H"	59.013851
"965546"	328.189451	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-H+NaCOOH"	66.980151
"117735"	296.178702	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+2Cl"	69.938804
"559482"	426.783352	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+2Cl"	69.938804
"1027190"	165.574052	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2Cl"	69.938804
"1248959"	340.128185	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Br"	78.918885
"1310316"	342.184172	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Cl+HCOOH"	80.974872
"1326719"	364.166129	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Cl+NaCOOH"	102.956829
"922153"	374.194886	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M-H+CF3COOH"	112.985586
"1296676"	410.171564	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Cl+CF3COOH"	148.962264
"1369370"	226.196624	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H-2H2O"	-35.012676
"1390147"	244.2066	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H-H2O"	-17.0027
"290928"	523.425876	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+H"	1.007276
"685537"	784.635176	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+H"	1.007276
"1360792"	262.216576	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H"	1.007276
"135867"	262.216576	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+2H"	2.014552
"572151"	392.821226	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+2H"	2.014552
"1038397"	131.611926	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2H"	2.014552
"207392"	175.146809333333	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+3H"	3.021828
"648410"	262.216576	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+3H"	3.021828
"1165441"	88.0770426666667	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+3H"	3.021828
"433816"	540.452423	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+NH4"	18.033823
"792988"	801.661723	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+NH4"	18.033823
"1683852"	279.243123	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+NH4"	18.033823
"334317"	270.7298495	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+H+NH4"	19.041099
"730019"	401.3344995	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+H+NH4"	19.041099
"1477642"	140.1251995	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H+NH4"	19.041099
"402529"	545.407818	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+Na"	22.989218
"765711"	806.617118	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+Na"	22.989218
"1610528"	284.198518	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Na"	22.989218
"324940"	273.207547	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+H+Na"	23.996494
"720400"	403.812197	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+H+Na"	23.996494
"1472277"	142.602897	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H+Na"	23.996494
"1063337"	95.4043566666667	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2H+Na"	25.00377
"1268295"	294.242786	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+CH3OH+H"	33.033486
"390152"	561.381758	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+K"	38.963158
"752241"	822.591058	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+K"	38.963158
"1551018"	300.172458	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+K"	38.963158
"311475"	281.194517	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+H+K"	39.970434
"704621"	411.799167	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+H+K"	39.970434
"1457714"	150.589867	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H+K"	39.970434
"248500"	564.452426	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+ACN+H"	42.033826
"1220843"	303.243126	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+ACN+H"	42.033826
"1205090"	152.125201	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+ACN+2H"	43.041102
"191400"	567.38976	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+2Na-H"	44.97116
"632053"	828.59906	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+2Na-H"	44.97116
"1135559"	306.18046	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2Na-H"	44.97116
"174475"	284.198518	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+2Na"	45.978436
"613383"	414.803168	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+2Na"	45.978436
"1116000"	153.593868	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2Na"	45.978436
"1398750"	102.731670666667	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H+2Na"	46.985712
"1434277"	308.222046	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H+HCOOH"	47.012746
"220240"	289.23154	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+3H2O+2H"	56.04448
"1516412"	322.27409	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+IsoProp+H"	61.06479
"422297"	292.185488	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+Na+K"	61.952376
"785120"	422.790138	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+Na+K"	61.952376
"1678901"	161.580838	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Na+K"	61.952376
"266393"	586.434368	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+ACN+Na"	64.015768
"1240077"	325.225068	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+ACN+Na"	64.015768
"1726656"	325.248593	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+NH4+HCOOH"	64.039293
"1193466"	110.058984666667	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+3Na"	68.967654
"1661172"	330.203988	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Na+HCOOH"	68.994688
"164754"	599.33764	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+2K-H"	76.91904
"608687"	860.54694	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+2K-H"	76.91904
"1095387"	338.12834	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2K-H"	76.91904
"152204"	300.172458	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"2M+2K"	77.926316
"593951"	430.777108	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"3M+2K"	77.926316
"1082471"	169.567808	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2K"	77.926316
"1110578"	340.142892	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2K+H"	78.933592
"1346963"	340.230507	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+DMSO+H"	79.021207
"1014401"	344.269676	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2ACN+H"	83.060376
"1531433"	345.263308	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+IsoProp+Na+H"	84.054008
"994602"	172.638476	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+2ACN+2H"	84.067652
"1591290"	346.177928	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+K+HCOOH"	84.968628
"1415856"	376.209438	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+H+CF3COOH"	115.000138
"1148330"	193.151751	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+3ACN+2H"	125.094202
"1698976"	393.235985	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+NH4+CF3COOH"	132.026685
"1634188"	398.19138	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+Na+CF3COOH"	136.98208
"1574653"	414.16532	"C10139"	"Cryptophorine"	"C17H27NO"	"261.2093"	"M+K+CF3COOH"	152.95602
"808305"	130.0742	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M"	0
"982931"	111.05581	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-H2O-H"	-19.01839
"65706"	85.7088573333333	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M-3H"	-3.021828
"506357"	129.066924	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M-3H"	-3.021828
"885254"	42.3507906666667	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-3H"	-3.021828
"2737"	129.066924	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M-2H"	-2.014552
"451046"	194.104024	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M-2H"	-2.014552
"824475"	64.029824	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-2H"	-2.014552
"86653"	259.141124	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M-H"	-1.007276
"528399"	389.215324	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M-H"	-1.007276
"897448"	129.066924	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-H"	-1.007276
"51833"	276.167671	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M-2H+NH4"	16.019271
"487860"	406.241871	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M-2H+NH4"	16.019271
"865057"	146.093471	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-2H+NH4"	16.019271
"34909"	281.123066	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M-2H+Na"	20.974666
"477752"	411.197266	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M-2H+Na"	20.974666
"861390"	151.048866	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-2H+Na"	20.974666
"1632996"	151.048866	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Na-2H"	20.974666
"108429"	147.055263	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M-H+Cl"	33.962126
"548353"	212.092363	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M-H+Cl"	33.962126
"942236"	82.018163	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-H+Cl"	33.962126
"282701"	295.117802	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+Cl"	34.969402
"672602"	425.192002	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+Cl"	34.969402
"1283179"	165.043602	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Cl"	34.969402
"27925"	297.097006	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M-2H+K"	36.948606
"462380"	427.171206	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M-2H+K"	36.948606
"841275"	167.022806	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-2H+K"	36.948606
"1562577"	167.022806	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+K-2H"	36.948606
"951555"	175.072394	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-H+HCOOH"	44.998194
"370862"	305.146601	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+HCOOH-H"	44.998201
"352562"	319.162251	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+Hac-H"	59.013851
"1498479"	189.088051	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Hac-H"	59.013851
"970761"	197.054351	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-H+NaCOOH"	66.980151
"117847"	165.043602	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+2Cl"	69.938804
"559593"	230.080702	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+2Cl"	69.938804
"1027302"	100.006502	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2Cl"	69.938804
"1249066"	208.993085	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Br"	78.918885
"1310424"	211.049072	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Cl+HCOOH"	80.974872
"1326825"	233.031029	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Cl+NaCOOH"	102.956829
"918982"	243.059786	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M-H+CF3COOH"	112.985586
"1294597"	279.036464	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Cl+CF3COOH"	148.962264
"1368386"	95.061524	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H-2H2O"	-35.012676
"1385881"	113.0715	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H-H2O"	-17.0027
"292131"	261.155676	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+H"	1.007276
"686739"	391.229876	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+H"	1.007276
"1356527"	131.081476	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H"	1.007276
"132696"	131.081476	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+2H"	2.014552
"570073"	196.118576	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+2H"	2.014552
"1042153"	66.044376	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2H"	2.014552
"208231"	87.7234093333333	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+3H"	3.021828
"647426"	131.081476	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+3H"	3.021828
"1165551"	44.3653426666667	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+3H"	3.021828
"434290"	278.182223	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+NH4"	18.033823
"793098"	408.256423	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+NH4"	18.033823
"1687242"	148.108023	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+NH4"	18.033823
"339895"	139.5947495	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+H+NH4"	19.041099
"730129"	204.6318495	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+H+NH4"	19.041099
"1478603"	74.5576495	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H+NH4"	19.041099
"403732"	283.137618	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+Na"	22.989218
"766550"	413.211818	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+Na"	22.989218
"1612825"	153.063418	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Na"	22.989218
"323957"	142.072447	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+H+Na"	23.996494
"721119"	207.109547	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+H+Na"	23.996494
"1470202"	77.035347	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H+Na"	23.996494
"1063448"	51.6926566666667	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2H+Na"	25.00377
"1269500"	163.107686	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+CH3OH+H"	33.033486
"391234"	299.111558	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+K"	38.963158
"752960"	429.185758	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+K"	38.963158
"1552949"	169.037358	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+K"	38.963158
"313165"	150.059417	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+H+K"	39.970434
"705460"	215.096517	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+H+K"	39.970434
"1456730"	85.022317	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H+K"	39.970434
"248976"	302.182226	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+ACN+H"	42.033826
"1222049"	172.108026	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+ACN+H"	42.033826
"1205200"	86.557651	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+ACN+2H"	43.041102
"192603"	305.11956	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+2Na-H"	44.97116
"631070"	435.19376	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+2Na-H"	44.97116
"1135669"	175.04536	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2Na-H"	44.97116
"174585"	153.063418	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+2Na"	45.978436
"613089"	218.100518	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+2Na"	45.978436
"1118747"	88.026318	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2Na"	45.978436
"1402268"	59.0199706666667	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H+2Na"	46.985712
"1434387"	177.086946	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H+HCOOH"	47.012746
"228456"	158.09644	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+3H2O+2H"	56.04448
"1516522"	191.13899	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+IsoProp+H"	61.06479
"418397"	161.050388	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+Na+K"	61.952376
"784016"	226.087488	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+Na+K"	61.952376
"1679013"	96.013288	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Na+K"	61.952376
"266020"	324.164168	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+ACN+Na"	64.015768
"1236789"	194.089968	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+ACN+Na"	64.015768
"1723487"	194.113493	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+NH4+HCOOH"	64.039293
"1190297"	66.3472846666667	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+3Na"	68.967654
"1661282"	199.068888	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Na+HCOOH"	68.994688
"162677"	337.06744	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+2K-H"	76.91904
"606610"	467.14164	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+2K-H"	76.91904
"1096589"	206.99324	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2K-H"	76.91904
"145753"	169.037358	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"2M+2K"	77.926316
"592967"	234.074458	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"3M+2K"	77.926316
"1080759"	104.000258	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2K"	77.926316
"1109594"	209.007792	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2K+H"	78.933592
"1347074"	209.095407	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+DMSO+H"	79.021207
"1014510"	213.134576	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2ACN+H"	83.060376
"1530449"	214.128208	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+IsoProp+Na+H"	84.054008
"991429"	107.070926	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+2ACN+2H"	84.067652
"1591401"	215.042828	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+K+HCOOH"	84.968628
"1419247"	245.074338	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+H+CF3COOH"	115.000138
"1148440"	127.584201	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+3ACN+2H"	125.094202
"1699086"	262.100885	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+NH4+CF3COOH"	132.026685
"1634490"	267.05628	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+Na+CF3COOH"	136.98208
"1573670"	283.03022	"C10140"	"Cucurbitine"	"C5H10N2O2"	"130.0742"	"M+K+CF3COOH"	152.95602
"802947"	163.0845	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M"	0
"976480"	144.06611	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-H2O-H"	-19.01839
"68002"	107.715724	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M-3H"	-3.021828
"506467"	162.077224	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M-3H"	-3.021828
"889738"	53.354224	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-3H"	-3.021828
"6125"	162.077224	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M-2H"	-2.014552
"453341"	243.619474	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M-2H"	-2.014552
"830052"	80.534974	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-2H"	-2.014552
"84576"	325.161724	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M-H"	-1.007276
"521950"	488.246224	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M-H"	-1.007276
"896591"	162.077224	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-H"	-1.007276
"51943"	342.188271	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M-2H+NH4"	16.019271
"489672"	505.272771	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M-2H+NH4"	16.019271
"867115"	179.103771	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-2H+NH4"	16.019271
"35019"	347.143666	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M-2H+Na"	20.974666
"478955"	510.228166	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M-2H+Na"	20.974666
"861866"	184.059166	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-2H+Na"	20.974666
"1632859"	184.059166	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Na-2H"	20.974666
"107565"	180.065563	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M-H+Cl"	33.962126
"545301"	261.607813	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M-H+Cl"	33.962126
"940640"	98.523313	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-H+Cl"	33.962126
"281633"	361.138402	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+Cl"	34.969402
"671618"	524.222902	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+Cl"	34.969402
"1282197"	198.053902	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Cl"	34.969402
"27670"	363.117606	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M-2H+K"	36.948606
"463585"	526.202106	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M-2H+K"	36.948606
"839199"	200.033106	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-2H+K"	36.948606
"1560499"	200.033106	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+K-2H"	36.948606
"950571"	208.082694	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-H+HCOOH"	44.998194
"367694"	371.167201	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+HCOOH-H"	44.998201
"350850"	385.182851	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+Hac-H"	59.013851
"1498225"	222.098351	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Hac-H"	59.013851
"969779"	230.064651	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-H+NaCOOH"	66.980151
"116863"	198.053902	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+2Cl"	69.938804
"559341"	279.596152	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+2Cl"	69.938804
"1029598"	116.511652	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2Cl"	69.938804
"1250270"	242.003385	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Br"	78.918885
"1310168"	244.059372	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Cl+HCOOH"	80.974872
"1331309"	266.041329	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Cl+NaCOOH"	102.956829
"921279"	276.070086	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M-H+CF3COOH"	112.985586
"1295800"	312.046764	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Cl+CF3COOH"	148.962264
"1371775"	128.071824	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H-2H2O"	-35.012676
"1388176"	146.0818	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H-H2O"	-17.0027
"293335"	327.176276	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+H"	1.007276
"683569"	490.260776	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+H"	1.007276
"1356637"	164.091776	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H"	1.007276
"129526"	164.091776	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+2H"	2.014552
"569086"	245.634026	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+2H"	2.014552
"1041167"	82.549526	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2H"	2.014552
"209066"	109.730276	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+3H"	3.021828
"648626"	164.091776	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+3H"	3.021828
"1162984"	55.368776	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+3H"	3.021828
"427839"	344.202823	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+NH4"	18.033823
"793208"	507.287323	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+NH4"	18.033823
"1692820"	181.118323	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+NH4"	18.033823
"338912"	172.6050495	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+H+NH4"	19.041099
"729146"	254.1472995	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+H+NH4"	19.041099
"1484060"	91.0627995	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H+NH4"	19.041099
"406028"	349.158218	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+Na"	22.989218
"768117"	512.242718	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+Na"	22.989218
"1616215"	186.073718	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Na"	22.989218
"327712"	175.082747	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+H+Na"	23.996494
"722324"	256.624997	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+H+Na"	23.996494
"1473589"	93.540497	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H+Na"	23.996494
"1066595"	62.69609	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2H+Na"	25.00377
"1270704"	196.117986	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+CH3OH+H"	33.033486
"390371"	365.132158	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+K"	38.963158
"753555"	528.216658	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+K"	38.963158
"1554640"	202.047658	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+K"	38.963158
"313398"	183.069717	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+H+K"	39.970434
"705696"	264.611967	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+H+K"	39.970434
"1457934"	101.527467	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H+K"	39.970434
"248722"	368.202826	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+ACN+H"	42.033826
"1220338"	205.118326	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+ACN+H"	42.033826
"1203123"	103.062801	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+ACN+2H"	43.041102
"192713"	371.14016	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+2Na-H"	44.97116
"635553"	534.22466	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+2Na-H"	44.97116
"1139059"	208.05566	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2Na-H"	44.97116
"174695"	186.073718	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+2Na"	45.978436
"613281"	267.615968	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+2Na"	45.978436
"1122137"	104.531468	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2Na"	45.978436
"1404566"	70.023404	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H+2Na"	46.985712
"1432310"	210.097246	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H+HCOOH"	47.012746
"222006"	191.10674	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+3H2O+2H"	56.04448
"1521006"	224.14929	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+IsoProp+H"	61.06479
"419600"	194.060688	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+Na+K"	61.952376
"783517"	275.602938	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+Na+K"	61.952376
"1679850"	112.518438	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Na+K"	61.952376
"265525"	390.184768	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+ACN+Na"	64.015768
"1240298"	227.100268	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+ACN+Na"	64.015768
"1726148"	227.123793	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+NH4+HCOOH"	64.039293
"1190406"	77.350718	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+3Na"	68.967654
"1662489"	232.079188	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Na+HCOOH"	68.994688
"166067"	403.08804	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+2K-H"	76.91904
"609635"	566.17254	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+2K-H"	76.91904
"1092324"	240.00354	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2K-H"	76.91904
"153882"	202.047658	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"2M+2K"	77.926316
"594170"	283.589908	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"3M+2K"	77.926316
"1082935"	120.505408	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2K"	77.926316
"1109704"	242.018092	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2K+H"	78.933592
"1346090"	242.105707	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+DMSO+H"	79.021207
"1015713"	246.144876	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2ACN+H"	83.060376
"1530560"	247.138508	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+IsoProp+Na+H"	84.054008
"992633"	123.576076	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+2ACN+2H"	84.067652
"1594792"	248.053128	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+K+HCOOH"	84.968628
"1421545"	278.084638	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+H+CF3COOH"	115.000138
"1152925"	144.089351	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+3ACN+2H"	125.094202
"1698103"	295.111185	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+NH4+CF3COOH"	132.026685
"1635208"	300.06658	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+Na+CF3COOH"	136.98208
"1575967"	316.04052	"C10141"	"Deoxymannojirimycin;DMJ"	"C6H13NO4"	"163.0845"	"M+K+CF3COOH"	152.95602
"803057"	221.1416	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M"	0
"976590"	202.12321	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-H2O-H"	-19.01839
"69205"	146.420457333333	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M-3H"	-3.021828
"507670"	220.134324	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M-3H"	-3.021828
"889847"	72.7065906666667	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-3H"	-3.021828
"6234"	220.134324	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M-2H"	-2.014552
"451265"	330.705124	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M-2H"	-2.014552
"824695"	109.563524	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-2H"	-2.014552
"84686"	441.275924	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M-H"	-1.007276
"524246"	662.417524	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M-H"	-1.007276
"897796"	220.134324	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-H"	-1.007276
"49255"	458.302471	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M-2H+NH4"	16.019271
"489785"	679.444071	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M-2H+NH4"	16.019271
"866857"	237.160871	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-2H+NH4"	16.019271
"36222"	463.257866	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M-2H+Na"	20.974666
"473594"	684.399466	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M-2H+Na"	20.974666
"853587"	242.116266	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-2H+Na"	20.974666
"1629679"	242.116266	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Na-2H"	20.974666
"106213"	238.122663	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M-H+Cl"	33.962126
"546869"	348.693463	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M-H+Cl"	33.962126
"942209"	127.551863	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-H+Cl"	33.962126
"277848"	477.252602	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+Cl"	34.969402
"670633"	698.394202	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+Cl"	34.969402
"1282671"	256.111002	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Cl"	34.969402
"26319"	479.231806	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M-2H+K"	36.948606
"464788"	700.373406	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M-2H+K"	36.948606
"840402"	258.090206	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-2H+K"	36.948606
"1561702"	258.090206	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+K-2H"	36.948606
"953960"	266.139794	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-H+HCOOH"	44.998194
"371083"	487.281401	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+HCOOH-H"	44.998201
"351689"	501.297051	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+Hac-H"	59.013851
"1498335"	280.155451	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Hac-H"	59.013851
"965879"	288.121751	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-H+NaCOOH"	66.980151
"114419"	256.111002	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+2Cl"	69.938804
"556532"	366.681802	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+2Cl"	69.938804
"1031530"	145.540202	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2Cl"	69.938804
"1250378"	300.060485	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Br"	78.918885
"1315013"	302.116472	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Cl+HCOOH"	80.974872
"1327046"	324.098429	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Cl+NaCOOH"	102.956829
"917013"	334.127186	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M-H+CF3COOH"	112.985586
"1291900"	370.103864	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Cl+CF3COOH"	148.962264
"1369333"	186.128924	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H-2H2O"	-35.012676
"1385733"	204.1389	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H-H2O"	-17.0027
"291258"	443.290476	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+H"	1.007276
"683679"	664.432076	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+H"	1.007276
"1356747"	222.148876	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H"	1.007276
"130729"	222.148876	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+2H"	2.014552
"570290"	332.719676	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+2H"	2.014552
"1043463"	111.578076	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2H"	2.014552
"206990"	148.435009333333	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+3H"	3.021828
"648736"	222.148876	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+3H"	3.021828
"1169048"	74.7211426666667	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+3H"	3.021828
"426855"	460.317023	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+NH4"	18.033823
"786389"	681.458623	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+NH4"	18.033823
"1692930"	239.175423	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+NH4"	18.033823
"337928"	230.6621495	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+H+NH4"	19.041099
"731442"	341.2329495	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+H+NH4"	19.041099
"1484170"	120.0913495	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H+NH4"	19.041099
"406138"	465.272418	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+Na"	22.989218
"768227"	686.414018	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+Na"	22.989218
"1615597"	244.130818	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Na"	22.989218
"329969"	233.139847	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+H+Na"	23.996494
"722312"	343.710647	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+H+Na"	23.996494
"1474428"	122.569047	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H+Na"	23.996494
"1067556"	82.0484566666667	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2H+Na"	25.00377
"1268626"	254.175086	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+CH3OH+H"	33.033486
"391575"	481.246358	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+K"	38.963158
"752571"	702.387958	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+K"	38.963158
"1554262"	260.104758	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+K"	38.963158
"313261"	241.126817	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+H+K"	39.970434
"705683"	351.697617	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+H+K"	39.970434
"1456950"	130.556017	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H+K"	39.970434
"248831"	484.317026	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+ACN+H"	42.033826
"1221537"	263.175426	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+ACN+H"	42.033826
"1203233"	132.091351	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+ACN+2H"	43.041102
"191729"	487.25436	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+2Na-H"	44.97116
"632382"	708.39596	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+2Na-H"	44.97116
"1131753"	266.11276	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2Na-H"	44.97116
"173381"	244.130818	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+2Na"	45.978436
"613267"	354.701618	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+2Na"	45.978436
"1116287"	133.560018	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2Na"	45.978436
"1399814"	89.3757706666667	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H+2Na"	46.985712
"1430473"	268.154346	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H+HCOOH"	47.012746
"221505"	249.16384	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+3H2O+2H"	56.04448
"1517834"	282.20639	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+IsoProp+H"	61.06479
"420803"	252.117788	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+Na+K"	61.952376
"784356"	362.688588	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+Na+K"	61.952376
"1680082"	141.546988	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Na+K"	61.952376
"266607"	506.298968	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+ACN+Na"	64.015768
"1240407"	285.157368	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+ACN+Na"	64.015768
"1725165"	285.180893	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+NH4+HCOOH"	64.039293
"1188331"	96.7030846666667	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+3Na"	68.967654
"1662234"	290.136288	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Na+HCOOH"	68.994688
"166177"	519.20224	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+2K-H"	76.91904
"607923"	740.34384	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+2K-H"	76.91904
"1093528"	298.06064	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2K-H"	76.91904
"152533"	260.104758	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"2M+2K"	77.926316
"595008"	370.675558	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"3M+2K"	77.926316
"1080979"	149.533958	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2K"	77.926316
"1107628"	300.075192	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2K+H"	78.933592
"1341827"	300.162807	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+DMSO+H"	79.021207
"1010355"	304.201976	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2ACN+H"	83.060376
"1532855"	305.195608	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+IsoProp+Na+H"	84.054008
"1000396"	152.604626	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+2ACN+2H"	84.067652
"1594900"	306.110228	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+K+HCOOH"	84.968628
"1416185"	336.141738	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+H+CF3COOH"	115.000138
"1149751"	173.117901	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+3ACN+2H"	125.094202
"1700397"	353.168285	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+NH4+CF3COOH"	132.026685
"1636047"	358.12368	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+Na+CF3COOH"	136.98208
"1576077"	374.09762	"C10142"	"Dioscorine"	"C13H19NO2"	"221.1416"	"M+K+CF3COOH"	152.95602
"811916"	163.0845	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M"	0
"978888"	144.06611	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-H2O-H"	-19.01839
"69318"	107.715724	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M-3H"	-3.021828
"506690"	162.077224	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M-3H"	-3.021828
"886679"	53.354224	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-3H"	-3.021828
"4162"	162.077224	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M-2H"	-2.014552
"445909"	243.619474	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M-2H"	-2.014552
"824808"	80.534974	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-2H"	-2.014552
"93180"	325.161724	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M-H"	-1.007276
"532742"	488.246224	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M-H"	-1.007276
"898880"	162.077224	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-H"	-1.007276
"49974"	342.188271	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M-2H+NH4"	16.019271
"490625"	505.272771	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M-2H+NH4"	16.019271
"867335"	179.103771	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-2H+NH4"	16.019271
"41799"	347.143666	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M-2H+Na"	20.974666
"480265"	510.228166	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M-2H+Na"	20.974666
"859165"	184.059166	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-2H+Na"	20.974666
"1631613"	184.059166	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Na-2H"	20.974666
"106323"	180.065563	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M-H+Cl"	33.962126
"546614"	261.607813	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M-H+Cl"	33.962126
"939034"	98.523313	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-H+Cl"	33.962126
"277957"	361.138402	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+Cl"	34.969402
"672201"	524.222902	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+Cl"	34.969402
"1282781"	198.053902	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Cl"	34.969402
"25336"	363.117606	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M-2H+K"	36.948606
"465991"	526.202106	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M-2H+K"	36.948606
"843792"	200.033106	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-2H+K"	36.948606
"1565094"	200.033106	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+K-2H"	36.948606
"950791"	208.082694	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-H+HCOOH"	44.998194
"369007"	371.167201	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+HCOOH-H"	44.998201
"352893"	385.182851	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+Hac-H"	59.013851
"1500634"	222.098351	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Hac-H"	59.013851
"969271"	230.064651	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-H+NaCOOH"	66.980151
"119270"	198.053902	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+2Cl"	69.938804
"558832"	279.596152	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+2Cl"	69.938804
"1032736"	116.511652	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2Cl"	69.938804
"1254868"	242.003385	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Br"	78.918885
"1316949"	244.059372	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Cl+HCOOH"	80.974872
"1330436"	266.041329	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Cl+NaCOOH"	102.956829
"919310"	276.070086	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M-H+CF3COOH"	112.985586
"1291643"	312.046764	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Cl+CF3COOH"	148.962264
"1369810"	128.071824	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H-2H2O"	-35.012676
"1385844"	146.0818	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H-H2O"	-17.0027
"286992"	327.176276	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+H"	1.007276
"683789"	490.260776	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+H"	1.007276
"1354669"	164.091776	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H"	1.007276
"135213"	164.091776	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+2H"	2.014552
"570400"	245.634026	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+2H"	2.014552
"1040293"	82.549526	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2H"	2.014552
"207100"	109.730276	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+3H"	3.021828
"652127"	164.091776	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+3H"	3.021828
"1170253"	55.368776	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+3H"	3.021828
"428059"	344.202823	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+NH4"	18.033823
"791241"	507.287323	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+NH4"	18.033823
"1690853"	181.118323	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+NH4"	18.033823
"336945"	172.6050495	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+H+NH4"	19.041099
"728272"	254.1472995	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+H+NH4"	19.041099
"1484282"	91.0627995	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H+NH4"	19.041099
"408073"	349.158218	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+Na"	22.989218
"769067"	512.242718	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+Na"	22.989218
"1616435"	186.073718	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Na"	22.989218
"329230"	175.082747	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+H+Na"	23.996494
"720358"	256.624997	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+H+Na"	23.996494
"1475877"	93.540497	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H+Na"	23.996494
"1061594"	62.69609	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2H+Na"	25.00377
"1270558"	196.117986	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+CH3OH+H"	33.033486
"389499"	365.132158	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+K"	38.963158
"747217"	528.216658	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+K"	38.963158
"1553647"	202.047658	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+K"	38.963158
"311913"	183.069717	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+H+K"	39.970434
"703602"	264.611967	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+H+K"	39.970434
"1459607"	101.527467	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H+K"	39.970434
"250029"	368.202826	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+ACN+H"	42.033826
"1220550"	205.118326	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+ACN+H"	42.033826
"1206620"	103.062801	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+ACN+2H"	43.041102
"195122"	371.14016	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+2Na-H"	44.97116
"632495"	534.22466	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+2Na-H"	44.97116
"1131905"	208.05566	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2Na-H"	44.97116
"175281"	186.073718	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+2Na"	45.978436
"615936"	267.615968	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+2Na"	45.978436
"1117739"	104.531468	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2Na"	45.978436
"1402235"	70.023404	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H+2Na"	46.985712
"1434717"	210.097246	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H+HCOOH"	47.012746
"221495"	191.10674	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+3H2O+2H"	56.04448
"1514664"	224.14929	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+IsoProp+H"	61.06479
"415444"	194.060688	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+Na+K"	61.952376
"781550"	275.602938	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+Na+K"	61.952376
"1679706"	112.518438	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Na+K"	61.952376
"266355"	390.184768	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+ACN+Na"	64.015768
"1238941"	227.100268	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+ACN+Na"	64.015768
"1724183"	227.123793	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+NH4+HCOOH"	64.039293
"1188441"	77.350718	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+3Na"	68.967654
"1663074"	232.079188	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Na+HCOOH"	68.994688
"171269"	403.08804	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+2K-H"	76.91904
"609129"	566.17254	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+2K-H"	76.91904
"1095828"	240.00354	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2K-H"	76.91904
"153376"	202.047658	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"2M+2K"	77.926316
"594028"	283.589908	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"3M+2K"	77.926316
"1082183"	120.505408	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2K"	77.926316
"1111020"	242.018092	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2K+H"	78.933592
"1346311"	242.105707	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+DMSO+H"	79.021207
"1014840"	246.144876	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2ACN+H"	83.060376
"1532967"	247.138508	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+IsoProp+Na+H"	84.054008
"1000506"	123.576076	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+2ACN+2H"	84.067652
"1597196"	248.053128	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+K+HCOOH"	84.968628
"1417751"	278.084638	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+H+CF3COOH"	115.000138
"1148404"	144.089351	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+3ACN+2H"	125.094202
"1699412"	295.111185	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+NH4+CF3COOH"	132.026685
"1634455"	300.06658	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+Na+CF3COOH"	136.98208
"1581657"	316.04052	"C10143"	"DMDP;25-Dihydroxymethyl-34-dihydroxypyrrolidine"	"C6H13NO4"	"163.0845"	"M+K+CF3COOH"	152.95602
"808745"	147.0895	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M"	0
"975717"	128.07111	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-H2O-H"	-19.01839
"71614"	97.0523906666667	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M-3H"	-3.021828
"512267"	146.082224	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M-3H"	-3.021828
"893349"	48.0225573333333	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-3H"	-3.021828
"9737"	146.082224	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M-2H"	-2.014552
"454279"	219.626974	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M-2H"	-2.014552
"822730"	72.537474	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-2H"	-2.014552
"93291"	293.171724	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M-H"	-1.007276
"532853"	440.261224	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M-H"	-1.007276
"907735"	146.082224	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-H"	-1.007276
"50447"	310.198271	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M-2H+NH4"	16.019271
"491829"	457.287771	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M-2H+NH4"	16.019271
"867444"	163.108771	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-2H+NH4"	16.019271
"34254"	315.153666	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M-2H+Na"	20.974666
"477095"	462.243166	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M-2H+Na"	20.974666
"861098"	168.064166	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-2H+Na"	20.974666
"1630993"	168.064166	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Na-2H"	20.974666
"105706"	164.070563	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M-H+Cl"	33.962126
"548183"	237.615313	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M-H+Cl"	33.962126
"938780"	90.525813	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-H+Cl"	33.962126
"278067"	329.148402	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+Cl"	34.969402
"672311"	476.237902	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+Cl"	34.969402
"1283256"	182.058902	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Cl"	34.969402
"25447"	331.127606	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M-2H+K"	36.948606
"467926"	478.217106	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M-2H+K"	36.948606
"844634"	184.038106	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-2H+K"	36.948606
"1563019"	184.038106	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+K-2H"	36.948606
"949808"	192.087694	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-H+HCOOH"	44.998194
"368024"	339.177201	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+HCOOH-H"	44.998201
"351911"	353.192851	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+Hac-H"	59.013851
"1502566"	206.103351	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Hac-H"	59.013851
"972294"	214.069651	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-H+NaCOOH"	66.980151
"121566"	182.058902	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+2Cl"	69.938804
"563679"	255.603652	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+2Cl"	69.938804
"1027740"	108.514152	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2Cl"	69.938804
"1248413"	226.008385	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Br"	78.918885
"1317059"	228.064372	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Cl+HCOOH"	80.974872
"1333462"	250.046329	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Cl+NaCOOH"	102.956829
"925862"	260.075086	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M-H+CF3COOH"	112.985586
"1296127"	296.051764	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Cl+CF3COOH"	148.962264
"1368459"	112.076824	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H-2H2O"	-35.012676
"1392879"	130.0868	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H-H2O"	-17.0027
"284915"	295.186276	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+H"	1.007276
"680619"	442.275776	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+H"	1.007276
"1353319"	148.096776	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H"	1.007276
"128762"	148.096776	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+2H"	2.014552
"569417"	221.641526	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+2H"	2.014552
"1040403"	74.552026	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2H"	2.014552
"208303"	99.0669426666667	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+3H"	3.021828
"654426"	148.096776	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+3H"	3.021828
"1170363"	50.0371093333333	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+3H"	3.021828
"428170"	312.212823	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+NH4"	18.033823
"791351"	459.302323	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+NH4"	18.033823
"1687683"	165.123323	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+NH4"	18.033823
"333776"	156.6100495	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+H+NH4"	19.041099
"728382"	230.1547995	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+H+NH4"	19.041099
"1484392"	83.0652995	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H+NH4"	19.041099
"407453"	317.168218	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+Na"	22.989218
"769544"	464.257718	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+Na"	22.989218
"1614359"	170.078718	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Na"	22.989218
"327681"	159.087747	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+H+Na"	23.996494
"721074"	232.632497	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+H+Na"	23.996494
"1473560"	85.542997	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H+Na"	23.996494
"1062797"	57.3644233333333	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2H+Na"	25.00377
"1269212"	180.122986	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+CH3OH+H"	33.033486
"388516"	333.142158	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+K"	38.963158
"747327"	480.231658	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+K"	38.963158
"1553756"	186.052658	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+K"	38.963158
"312023"	167.074717	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+H+K"	39.970434
"701162"	240.619467	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+H+K"	39.970434
"1458259"	93.529967	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H+K"	39.970434
"249047"	336.212826	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+ACN+H"	42.033826
"1219568"	189.123326	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+ACN+H"	42.033826
"1203451"	95.065301	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+ACN+2H"	43.041102
"195232"	339.15016	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+2Na-H"	44.97116
"634792"	486.23966	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+2Na-H"	44.97116
"1133193"	192.06066	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2Na-H"	44.97116
"177942"	170.078718	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+2Na"	45.978436
"616410"	243.623468	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+2Na"	45.978436
"1120644"	96.533968	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2Na"	45.978436
"1402345"	64.6917373333333	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H+2Na"	46.985712
"1435191"	194.102246	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H+HCOOH"	47.012746
"222700"	175.11174	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+3H2O+2H"	56.04448
"1518054"	208.15429	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+IsoProp+H"	61.06479
"415554"	178.065688	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+Na+K"	61.952376
"783848"	251.610438	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+Na+K"	61.952376
"1680179"	104.520938	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Na+K"	61.952376
"266996"	358.194768	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+ACN+Na"	64.015768
"1237958"	211.105268	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+ACN+Na"	64.015768
"1724292"	211.128793	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+NH4+HCOOH"	64.039293
"1191831"	72.0190513333333	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+3Na"	68.967654
"1663909"	216.084188	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Na+HCOOH"	68.994688
"170771"	371.09804	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+2K-H"	76.91904
"608874"	518.18754	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+2K-H"	76.91904
"1098122"	224.00854	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2K-H"	76.91904
"153847"	186.052658	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"2M+2K"	77.926316
"593406"	259.597408	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"3M+2K"	77.926316
"1081200"	112.507908	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2K"	77.926316
"1113313"	226.023092	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2K+H"	78.933592
"1346420"	226.110707	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+DMSO+H"	79.021207
"1012762"	230.149876	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2ACN+H"	83.060376
"1534169"	231.143508	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+IsoProp+Na+H"	84.054008
"999522"	115.578576	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+2ACN+2H"	84.067652
"1598400"	232.058128	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+K+HCOOH"	84.968628
"1419684"	262.089638	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+H+CF3COOH"	115.000138
"1148150"	136.091851	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+3ACN+2H"	125.094202
"1699887"	279.116185	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+NH4+CF3COOH"	132.026685
"1634484"	284.07158	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+Na+CF3COOH"	136.98208
"1581767"	300.04552	"C10144"	"Fagomine"	"C6H13NO3"	"147.0895"	"M+K+CF3COOH"	152.95602
"808855"	348.1685	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M"	0
"980201"	329.15011	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-H2O-H"	-19.01839
"66255"	231.105057333333	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M-3H"	-3.021828
"506910"	347.161224	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M-3H"	-3.021828
"885805"	115.048890666667	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-3H"	-3.021828
"6566"	347.161224	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M-2H"	-2.014552
"451595"	521.245474	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M-2H"	-2.014552
"822840"	173.076974	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-2H"	-2.014552
"89389"	695.329724	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M-H"	-1.007276
"525670"	1043.498224	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M-H"	-1.007276
"905659"	347.161224	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-H"	-1.007276
"49100"	712.356271	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M-2H+NH4"	16.019271
"487604"	1060.524771	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M-2H+NH4"	16.019271
"865491"	364.187771	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-2H+NH4"	16.019271
"33392"	717.311666	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M-2H+Na"	20.974666
"480486"	1065.480166	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M-2H+Na"	20.974666
"859752"	369.143166	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-2H+Na"	20.974666
"1631472"	369.143166	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Na-2H"	20.974666
"108371"	365.149563	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M-H+Cl"	33.962126
"549151"	539.233813	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M-H+Cl"	33.962126
"941812"	191.065313	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-H+Cl"	33.962126
"281827"	731.306402	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+Cl"	34.969402
"674734"	1079.474902	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+Cl"	34.969402
"1287015"	383.137902	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Cl"	34.969402
"27744"	733.285606	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M-2H+K"	36.948606
"464026"	1081.454106	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M-2H+K"	36.948606
"844013"	385.117106	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-2H+K"	36.948606
"1563129"	385.117106	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+K-2H"	36.948606
"951012"	393.166694	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-H+HCOOH"	44.998194
"368134"	741.335201	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+HCOOH-H"	44.998201
"348741"	755.350851	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+Hac-H"	59.013851
"1499760"	407.182351	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Hac-H"	59.013851
"966937"	415.148651	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-H+NaCOOH"	66.980151
"118396"	383.137902	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+2Cl"	69.938804
"562697"	557.222152	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+2Cl"	69.938804
"1030766"	209.053652	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2Cl"	69.938804
"1250709"	427.087385	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Br"	78.918885
"1316441"	429.143372	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Cl+HCOOH"	80.974872
"1334668"	451.125329	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Cl+NaCOOH"	102.956829
"926460"	461.154086	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M-H+CF3COOH"	112.985586
"1298424"	497.130764	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Cl+CF3COOH"	148.962264
"1371121"	313.155824	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H-2H2O"	-35.012676
"1394082"	331.1658	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H-H2O"	-17.0027
"284050"	697.344276	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+H"	1.007276
"680729"	1045.512776	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+H"	1.007276
"1351972"	349.175776	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H"	1.007276
"128872"	349.175776	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+2H"	2.014552
"570619"	523.260026	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+2H"	2.014552
"1042699"	175.091526	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2H"	2.014552
"209506"	233.119609333333	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+3H"	3.021828
"654536"	349.175776	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+3H"	3.021828
"1170473"	117.063442666667	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+3H"	3.021828
"430465"	714.370823	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+NH4"	18.033823
"793647"	1062.539323	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+NH4"	18.033823
"1684512"	366.202323	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+NH4"	18.033823
"332789"	357.6890495	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+H+NH4"	19.041099
"725211"	531.7732995	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+H+NH4"	19.041099
"1485593"	183.6047995	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H+NH4"	19.041099
"405374"	719.326218	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+Na"	22.989218
"768560"	1067.494718	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+Na"	22.989218
"1616534"	371.157718	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Na"	22.989218
"328398"	360.166747	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+H+Na"	23.996494
"720455"	534.250997	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+H+Na"	23.996494
"1474761"	186.082497	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H+Na"	23.996494
"1065094"	124.390756666667	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2H+Na"	25.00377
"1269686"	381.201986	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+CH3OH+H"	33.033486
"387533"	735.300158	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+K"	38.963158
"747437"	1083.468658	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+K"	38.963158
"1552773"	387.131658	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+K"	38.963158
"309946"	368.153717	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+H+K"	39.970434
"702365"	542.237967	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+H+K"	39.970434
"1458369"	194.069467	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H+K"	39.970434
"249157"	738.370826	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+ACN+H"	42.033826
"1219677"	390.202326	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+ACN+H"	42.033826
"1205383"	195.604801	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+ACN+2H"	43.041102
"193155"	741.30816	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+2Na-H"	44.97116
"628782"	1089.47666	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+2Na-H"	44.97116
"1133303"	393.13966	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2Na-H"	44.97116
"173191"	371.157718	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+2Na"	45.978436
"613968"	545.241968	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+2Na"	45.978436
"1122577"	197.073468	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2Na"	45.978436
"1406101"	131.718070666667	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H+2Na"	46.985712
"1432385"	395.181246	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H+HCOOH"	47.012746
"221351"	376.19074	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+3H2O+2H"	56.04448
"1514884"	409.23329	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+IsoProp+H"	61.06479
"413112"	379.144688	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+Na+K"	61.952376
"783229"	553.228938	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+Na+K"	61.952376
"1678466"	205.060438	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Na+K"	61.952376
"264628"	760.352768	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+ACN+Na"	64.015768
"1239525"	412.184268	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+ACN+Na"	64.015768
"1722582"	412.207793	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+NH4+HCOOH"	64.039293
"1187566"	139.045384666667	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+3Na"	68.967654
"1658552"	417.163188	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Na+HCOOH"	68.994688
"169425"	773.25604	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+2K-H"	76.91904
"606067"	1121.42454	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+2K-H"	76.91904
"1097867"	425.08754	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2K-H"	76.91904
"153593"	387.131658	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"2M+2K"	77.926316
"592426"	561.215908	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"3M+2K"	77.926316
"1079125"	213.047408	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2K"	77.926316
"1113422"	427.102092	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2K+H"	78.933592
"1342155"	427.189707	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+DMSO+H"	79.021207
"1008498"	431.228876	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2ACN+H"	83.060376
"1533186"	432.222508	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+IsoProp+Na+H"	84.054008
"994165"	216.118076	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+2ACN+2H"	84.067652
"1598509"	433.137128	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+K+HCOOH"	84.968628
"1420888"	463.168638	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+H+CF3COOH"	115.000138
"1148259"	236.631351	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+3ACN+2H"	125.094202
"1698904"	480.195185	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+NH4+CF3COOH"	132.026685
"1634271"	485.15058	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+Na+CF3COOH"	136.98208
"1585157"	501.12452	"C10145"	"Funebrine"	"C18H24N2O5"	"348.1685"	"M+K+CF3COOH"	152.95602
"812245"	179.0946	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M"	0
"977030"	160.07621	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"72927"	118.389124	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"508114"	178.087324	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"890289"	58.690924	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"8862"	178.087324	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"453531"	267.634624	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"828417"	88.540024	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"92661"	357.181924	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"529060"	536.276524	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"904675"	178.087324	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"51395"	374.208471	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"489012"	553.303071	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"868760"	195.113871	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"35568"	379.163866	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"477316"	558.258466	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"858769"	200.069266	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1628666"	200.069266	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"109788"	196.075663	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"549913"	285.622963	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"942178"	106.528363	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"282427"	393.158602	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"674728"	572.253202	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1286760"	214.064002	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"27855"	395.137806	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"468875"	574.232406	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"845217"	216.043206	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1569435"	216.043206	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"955494"	224.092794	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"373710"	403.187401	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"355408"	417.203051	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1498776"	238.108451	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"970693"	246.074751	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"121423"	214.064002	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"564509"	303.611302	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1027961"	124.516702	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1251913"	258.013485	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1318253"	260.069472	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1333927"	282.051429	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"925842"	292.080186	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1300721"	328.056864	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1372324"	144.081924	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1389819"	162.0919	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"290603"	359.196476	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"683026"	538.291076	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1353905"	180.101876	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"131169"	180.101876	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"572916"	269.649176	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1050464"	90.554576	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"217272"	120.403676	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"654646"	180.101876	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1173863"	60.705476	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"436042"	376.223023	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"797037"	555.317623	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1684985"	197.128423	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"333993"	188.6151495	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"725684"	278.1624495	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1482420"	99.0678495	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"405489"	381.178418	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"768305"	560.273018	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1612393"	202.083818	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"328145"	191.092847	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"722025"	280.640147	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1476574"	101.545547	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1065938"	68.03279	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1271258"	212.128086	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"390197"	397.152358	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"753015"	576.246958	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1553610"	218.057758	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"310785"	199.079817	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"705027"	288.627117	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1458478"	109.532517	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"249267"	400.223026	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1219787"	221.128426	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1203672"	111.067851	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"198734"	403.16036	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"640480"	582.25496	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1133777"	224.06576	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"182901"	202.083818	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"619910"	291.631118	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1123780"	112.536518	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1406211"	75.360104	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1432859"	226.107346	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"223284"	207.11684	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1511347"	240.15939	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"415774"	210.070788	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"782972"	299.618088	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1678574"	120.523488	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"264012"	422.204968	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1237814"	243.110368	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1725245"	243.133893	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1186950"	82.687418	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1661216"	248.089288	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"168080"	435.10824	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"608000"	614.20284	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1096885"	256.01364	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"153342"	218.057758	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"592901"	307.605058	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1079237"	128.510458	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1111345"	258.028192	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1343358"	258.115807	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1008608"	262.154976	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1532201"	263.148608	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"997555"	131.581126	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1595339"	264.063228	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1418811"	294.094738	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1147397"	152.094401	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1699015"	311.121285	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1634281"	316.07668	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1585267"	332.05062	"C10146"	"Fusaric acid"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"812355"	325.0299	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M"	0
"976775"	306.01151	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-H2O-H"	-19.01839
"73038"	215.679324	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M-3H"	-3.021828
"510412"	324.022624	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M-3H"	-3.021828
"886027"	107.336024	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-3H"	-3.021828
"3509"	324.022624	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M-2H"	-2.014552
"452912"	486.537574	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M-2H"	-2.014552
"829621"	161.507674	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-2H"	-2.014552
"81591"	649.052524	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M-H"	-1.007276
"525891"	974.082424	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M-H"	-1.007276
"897497"	324.022624	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-H"	-1.007276
"48467"	666.079071	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M-2H+NH4"	16.019271
"487417"	991.108971	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M-2H+NH4"	16.019271
"866074"	341.049171	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-2H+NH4"	16.019271
"33854"	671.034466	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M-2H+Na"	20.974666
"478519"	996.064366	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M-2H+Na"	20.974666
"860700"	346.004566	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-2H+Na"	20.974666
"1629140"	346.004566	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Na-2H"	20.974666
"109891"	342.010963	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M-H+Cl"	33.962126
"549131"	504.525913	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M-H+Cl"	33.962126
"941920"	179.496013	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-H+Cl"	33.962126
"282053"	685.029202	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+Cl"	34.969402
"675082"	1010.059102	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+Cl"	34.969402
"1287718"	359.999302	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Cl"	34.969402
"27965"	687.008406	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M-2H+K"	36.948606
"469350"	1012.038306	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M-2H+K"	36.948606
"847152"	361.978506	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-2H+K"	36.948606
"1569545"	361.978506	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+K-2H"	36.948606
"955606"	370.028094	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-H+HCOOH"	44.998194
"371634"	695.058001	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+HCOOH-H"	44.998201
"355518"	709.073651	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+Hac-H"	59.013851
"1498886"	384.043751	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Hac-H"	59.013851
"970803"	392.010051	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-H+NaCOOH"	66.980151
"121533"	359.999302	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+2Cl"	69.938804
"562551"	522.514252	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+2Cl"	69.938804
"1031351"	197.484352	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2Cl"	69.938804
"1253116"	403.948785	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Br"	78.918885
"1317752"	406.004772	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Cl+HCOOH"	80.974872
"1334157"	427.986729	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Cl+NaCOOH"	102.956829
"926562"	438.015486	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M-H+CF3COOH"	112.985586
"1302290"	473.992164	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Cl+CF3COOH"	148.962264
"1377901"	290.017224	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H-2H2O"	-35.012676
"1396490"	308.0272	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H-H2O"	-17.0027
"291807"	651.067076	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+H"	1.007276
"686416"	976.096976	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+H"	1.007276
"1359483"	326.037176	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H"	1.007276
"134559"	326.037176	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+2H"	2.014552
"577400"	488.552126	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+2H"	2.014552
"1049481"	163.522226	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2H"	2.014552
"215196"	217.693876	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+3H"	3.021828
"654756"	326.037176	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+3H"	3.021828
"1173973"	109.350576	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+3H"	3.021828
"436152"	668.093623	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+NH4"	18.033823
"796054"	993.123523	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+NH4"	18.033823
"1684002"	343.063723	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+NH4"	18.033823
"334103"	334.5504495	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+H+NH4"	19.041099
"725794"	497.0653995	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+H+NH4"	19.041099
"1482530"	172.0354995	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H+NH4"	19.041099
"401218"	673.049018	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+Na"	22.989218
"765500"	998.078918	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+Na"	22.989218
"1613599"	348.019118	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Na"	22.989218
"328010"	337.028147	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+H+Na"	23.996494
"719338"	499.543097	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+H+Na"	23.996494
"1474252"	174.513197	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H+Na"	23.996494
"1067742"	116.67789	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2H+Na"	25.00377
"1271366"	358.063386	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+CH3OH+H"	33.033486
"391400"	689.022958	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+K"	38.963158
"752399"	1014.052858	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+K"	38.963158
"1552264"	363.993058	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+K"	38.963158
"311988"	345.015117	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+H+K"	39.970434
"702582"	507.530067	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+H+K"	39.970434
"1455309"	182.500167	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H+K"	39.970434
"245004"	692.093626	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+ACN+H"	42.033826
"1216618"	367.063726	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+ACN+H"	42.033826
"1204874"	184.035501	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+ACN+2H"	43.041102
"196658"	695.03096	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+2Na-H"	44.97116
"640589"	1020.06086	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+2Na-H"	44.97116
"1133887"	370.00106	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2Na-H"	44.97116
"183011"	348.019118	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+2Na"	45.978436
"620384"	510.534068	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+2Na"	45.978436
"1124618"	185.504168	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2Na"	45.978436
"1407413"	124.005204	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H+2Na"	46.985712
"1432969"	372.042646	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H+HCOOH"	47.012746
"223394"	353.05214	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+3H2O+2H"	56.04448
"1510728"	386.09469	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+IsoProp+H"	61.06479
"415884"	356.006088	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+Na+K"	61.952376
"782352"	518.521038	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+Na+K"	61.952376
"1677590"	193.491138	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Na+K"	61.952376
"264852"	714.075568	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+ACN+Na"	64.015768
"1239383"	389.045668	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+ACN+Na"	64.015768
"1724989"	389.069193	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+NH4+HCOOH"	64.039293
"1187063"	131.332518	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+3Na"	68.967654
"1660599"	394.024588	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Na+HCOOH"	68.994688
"167461"	726.97884	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+2K-H"	76.91904
"608838"	1052.00874	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+2K-H"	76.91904
"1097359"	401.94894	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2K-H"	76.91904
"153451"	363.993058	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"2M+2K"	77.926316
"593011"	526.508008	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"3M+2K"	77.926316
"1080804"	201.478108	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2K"	77.926316
"1111455"	403.963492	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2K+H"	78.933592
"1343468"	404.051107	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+DMSO+H"	79.021207
"1007745"	408.090276	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2ACN+H"	83.060376
"1532311"	409.083908	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+IsoProp+Na+H"	84.054008
"997665"	204.548776	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+2ACN+2H"	84.067652
"1595449"	409.998528	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+K+HCOOH"	84.968628
"1418921"	440.030038	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+H+CF3COOH"	115.000138
"1147507"	225.062051	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+3ACN+2H"	125.094202
"1698034"	457.056585	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+NH4+CF3COOH"	132.026685
"1635509"	462.01198	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+Na+CF3COOH"	136.98208
"1585377"	477.98592	"C10147"	"Gerrardine"	"C11H19NO2S4"	"325.0299"	"M+K+CF3COOH"	152.95602
"809185"	216.1263	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M"	0
"979436"	197.10791	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-H2O-H"	-19.01839
"68774"	143.076924	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M-3H"	-3.021828
"510522"	215.119024	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M-3H"	-3.021828
"888324"	71.034824	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-3H"	-3.021828
"3619"	215.119024	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M-2H"	-2.014552
"451928"	323.182174	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M-2H"	-2.014552
"828637"	107.055874	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-2H"	-2.014552
"81336"	431.245324	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M-H"	-1.007276
"520169"	647.371624	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M-H"	-1.007276
"895710"	215.119024	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-H"	-1.007276
"47276"	448.271871	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M-2H+NH4"	16.019271
"487395"	664.398171	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M-2H+NH4"	16.019271
"864290"	232.145571	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-2H+NH4"	16.019271
"33950"	453.227266	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M-2H+Na"	20.974666
"477536"	669.353566	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M-2H+Na"	20.974666
"863725"	237.100966	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-2H+Na"	20.974666
"1630341"	237.100966	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Na-2H"	20.974666
"108941"	233.107363	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M-H+Cl"	33.962126
"547893"	341.170513	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M-H+Cl"	33.962126
"942589"	125.044213	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-H+Cl"	33.962126
"279600"	467.222002	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+Cl"	34.969402
"674207"	683.348302	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+Cl"	34.969402
"1287910"	251.095702	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Cl"	34.969402
"30388"	469.201206	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M-2H+K"	36.948606
"462170"	685.327506	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M-2H+K"	36.948606
"839971"	253.074906	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-2H+K"	36.948606
"1564551"	253.074906	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+K-2H"	36.948606
"953530"	261.124494	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-H+HCOOH"	44.998194
"369557"	477.250801	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+HCOOH-H"	44.998201
"353442"	491.266451	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+Hac-H"	59.013851
"1497901"	275.140151	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Hac-H"	59.013851
"966538"	283.106451	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-H+NaCOOH"	66.980151
"118361"	251.095702	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+2Cl"	69.938804
"560474"	359.158852	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+2Cl"	69.938804
"1023806"	143.032552	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2Cl"	69.938804
"1252498"	295.045185	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Br"	78.918885
"1315674"	297.101172	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Cl+HCOOH"	80.974872
"1331716"	319.083129	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Cl+NaCOOH"	102.956829
"921682"	329.111886	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M-H+CF3COOH"	112.985586
"1298391"	365.088564	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Cl+CF3COOH"	148.962264
"1373636"	181.113624	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H-2H2O"	-35.012676
"1386759"	199.1236	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H-H2O"	-17.0027
"289730"	433.259876	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+H"	1.007276
"683246"	649.386176	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+H"	1.007276
"1356313"	217.133576	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H"	1.007276
"133576"	217.133576	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+2H"	2.014552
"573137"	325.196726	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+2H"	2.014552
"1050686"	109.070426	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2H"	2.014552
"216399"	145.091476	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+3H"	3.021828
"652679"	217.133576	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+3H"	3.021828
"1172991"	73.049376	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+3H"	3.021828
"434076"	450.286423	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+NH4"	18.033823
"790698"	666.412723	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+NH4"	18.033823
"1681356"	234.160123	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+NH4"	18.033823
"332754"	225.6468495	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+H+NH4"	19.041099
"723352"	333.7099995	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+H+NH4"	19.041099
"1482640"	117.5836995	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H+NH4"	19.041099
"393667"	455.241818	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+Na"	22.989218
"766703"	671.368118	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+Na"	22.989218
"1615896"	239.115518	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Na"	22.989218
"328729"	228.124547	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+H+Na"	23.996494
"720541"	336.187697	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+H+Na"	23.996494
"1473269"	120.061397	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H+Na"	23.996494
"1067609"	80.37669	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2H+Na"	25.00377
"1270379"	249.159786	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+CH3OH+H"	33.033486
"391509"	471.215758	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+K"	38.963158
"753560"	687.342058	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+K"	38.963158
"1554560"	255.089458	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+K"	38.963158
"314084"	236.111517	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+H+K"	39.970434
"702692"	344.174667	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+H+K"	39.970434
"1455417"	128.048367	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H+K"	39.970434
"241831"	474.286426	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+ACN+H"	42.033826
"1216726"	258.160126	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+ACN+H"	42.033826
"1197329"	129.583701	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+ACN+2H"	43.041102
"198952"	477.22376	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+2Na-H"	44.97116
"631220"	693.35006	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+2Na-H"	44.97116
"1132415"	261.09746	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2Na-H"	44.97116
"177287"	239.115518	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+2Na"	45.978436
"619400"	347.178668	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+2Na"	45.978436
"1125093"	131.052368	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2Na"	45.978436
"1407523"	87.704004	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H+2Na"	46.985712
"1436359"	263.139046	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H+HCOOH"	47.012746
"224961"	244.14854	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+3H2O+2H"	56.04448
"1511202"	277.19109	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+IsoProp+H"	61.06479
"417087"	247.102488	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+Na+K"	61.952376
"780274"	355.165638	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+Na+K"	61.952376
"1677699"	139.039338	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Na+K"	61.952376
"265325"	496.268368	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+ACN+Na"	64.015768
"1241115"	280.142068	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+ACN+Na"	64.015768
"1727697"	280.165593	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+NH4+HCOOH"	64.039293
"1193006"	95.031318	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+3Na"	68.967654
"1662170"	285.120988	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Na+HCOOH"	68.994688
"170122"	509.17164	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+2K-H"	76.91904
"611136"	725.29794	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+2K-H"	76.91904
"1097105"	293.04534	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2K-H"	76.91904
"154658"	255.089458	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"2M+2K"	77.926316
"594213"	363.152608	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"3M+2K"	77.926316
"1081275"	147.026308	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2K"	77.926316
"1108285"	295.059892	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2K+H"	78.933592
"1343577"	295.147507	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+DMSO+H"	79.021207
"1009919"	299.186676	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2ACN+H"	83.060376
"1532421"	300.180308	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+IsoProp+Na+H"	84.054008
"997775"	150.096976	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+2ACN+2H"	84.067652
"1595559"	301.094928	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+K+HCOOH"	84.968628
"1417938"	331.126438	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+H+CF3COOH"	115.000138
"1147173"	170.610251	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+3ACN+2H"	125.094202
"1699968"	348.152985	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+NH4+CF3COOH"	132.026685
"1635983"	353.10838	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+Na+CF3COOH"	136.98208
"1585487"	369.08232	"C10148"	"Girgensonine"	"C13H16N2O"	"216.1263"	"M+K+CF3COOH"	152.95602
"814763"	127.0633	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M"	0
"979548"	108.04491	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-H2O-H"	-19.01839
"68884"	83.7015906666667	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M-3H"	-3.021828
"509540"	126.056024	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M-3H"	-3.021828
"886247"	41.3471573333333	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-3H"	-3.021828
"2636"	126.056024	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M-2H"	-2.014552
"448758"	189.587674	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M-2H"	-2.014552
"822188"	62.524374	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-2H"	-2.014552
"82176"	253.119324	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M-H"	-1.007276
"520034"	380.182624	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M-H"	-1.007276
"895814"	126.056024	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-H"	-1.007276
"47378"	270.145871	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M-2H+NH4"	16.019271
"487119"	397.209171	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M-2H+NH4"	16.019271
"864346"	143.082571	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-2H+NH4"	16.019271
"31456"	275.101266	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M-2H+Na"	20.974666
"471403"	402.164566	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M-2H+Na"	20.974666
"860920"	148.037966	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-2H+Na"	20.974666
"1630451"	148.037966	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Na-2H"	20.974666
"107712"	144.044363	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M-H+Cl"	33.962126
"548003"	207.576013	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M-H+Cl"	33.962126
"941882"	80.512713	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-H+Cl"	33.962126
"279709"	289.096002	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+Cl"	34.969402
"672129"	416.159302	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+Cl"	34.969402
"1286721"	162.032702	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Cl"	34.969402
"28188"	291.075206	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M-2H+K"	36.948606
"461186"	418.138506	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M-2H+K"	36.948606
"836799"	164.011906	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-2H+K"	36.948606
"1561379"	164.011906	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+K-2H"	36.948606
"953639"	172.061494	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-H+HCOOH"	44.998194
"366386"	299.124801	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+HCOOH-H"	44.998201
"352459"	313.140451	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+Hac-H"	59.013851
"1498011"	186.077151	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Hac-H"	59.013851
"966647"	194.043451	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-H+NaCOOH"	66.980151
"117742"	162.032702	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+2Cl"	69.938804
"557303"	225.564352	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+2Cl"	69.938804
"1027195"	98.501052	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2Cl"	69.938804
"1245679"	205.982185	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Br"	78.918885
"1309218"	208.038172	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Cl+HCOOH"	80.974872
"1326712"	230.020129	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Cl+NaCOOH"	102.956829
"923976"	240.048886	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M-H+CF3COOH"	112.985586
"1294493"	276.025564	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Cl+CF3COOH"	148.962264
"1370467"	92.050624	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H-2H2O"	-35.012676
"1386869"	110.0606	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H-H2O"	-17.0027
"298148"	255.133876	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+H"	1.007276
"688463"	382.197176	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+H"	1.007276
"1359705"	128.070576	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H"	1.007276
"140127"	128.070576	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+2H"	2.014552
"580784"	191.602226	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+2H"	2.014552
"1051526"	64.538926	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2H"	2.014552
"215415"	85.7161426666667	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+3H"	3.021828
"653883"	128.070576	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+3H"	3.021828
"1173100"	43.3617093333333	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+3H"	3.021828
"430905"	272.160423	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+NH4"	18.033823
"791900"	399.223723	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+NH4"	18.033823
"1684585"	145.097123	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+NH4"	18.033823
"329990"	136.5838495	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+H+NH4"	19.041099
"730023"	200.1154995	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+H+NH4"	19.041099
"1482750"	73.0521995	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H+NH4"	19.041099
"393047"	277.115818	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+Na"	22.989218
"765715"	404.179118	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+Na"	22.989218
"1614913"	150.052518	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Na"	22.989218
"326773"	139.061547	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+H+Na"	23.996494
"719923"	202.593197	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+H+Na"	23.996494
"1476170"	75.529897	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H+Na"	23.996494
"1065167"	50.6890233333333	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2H+Na"	25.00377
"1271583"	160.096786	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+CH3OH+H"	33.033486
"391252"	293.089758	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+K"	38.963158
"754077"	420.153058	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+K"	38.963158
"1555158"	166.026458	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+K"	38.963158
"313909"	147.048517	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+H+K"	39.970434
"703896"	210.580167	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+H+K"	39.970434
"1460633"	83.516867	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H+K"	39.970434
"246318"	296.160426	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+ACN+H"	42.033826
"1219025"	169.097126	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+ACN+H"	42.033826
"1204002"	85.052201	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+ACN+2H"	43.041102
"194685"	299.09776	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+2Na-H"	44.97116
"629749"	426.16106	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+2Na-H"	44.97116
"1134107"	172.03446	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2Na-H"	44.97116
"180313"	150.052518	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+2Na"	45.978436
"620604"	213.584168	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+2Na"	45.978436
"1126297"	86.520868	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2Na"	45.978436
"1406541"	58.0163373333333	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H+2Na"	46.985712
"1438657"	174.076046	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H+HCOOH"	47.012746
"226165"	155.08554	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+3H2O+2H"	56.04448
"1513136"	188.12809	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+IsoProp+H"	61.06479
"415010"	158.039488	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+Na+K"	61.952376
"774917"	221.571138	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+Na+K"	61.952376
"1674529"	94.507838	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Na+K"	61.952376
"266773"	318.142368	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+ACN+Na"	64.015768
"1241061"	191.079068	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+ACN+Na"	64.015768
"1726302"	191.102593	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+NH4+HCOOH"	64.039293
"1193477"	65.3436513333333	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+3Na"	68.967654
"1664829"	196.057988	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Na+HCOOH"	68.994688
"170961"	331.04564	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+2K-H"	76.91904
"611247"	458.10894	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+2K-H"	76.91904
"1098675"	203.98234	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2K-H"	76.91904
"154403"	166.026458	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"2M+2K"	77.926316
"595416"	229.558108	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"3M+2K"	77.926316
"1080654"	102.494808	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2K"	77.926316
"1110582"	205.996892	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2K+H"	78.933592
"1340407"	206.084507	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+DMSO+H"	79.021207
"1012216"	210.123676	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2ACN+H"	83.060376
"1527062"	211.117308	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+IsoProp+Na+H"	84.054008
"996792"	105.565476	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+2ACN+2H"	84.067652
"1596762"	212.031928	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+K+HCOOH"	84.968628
"1425703"	242.063438	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+H+CF3COOH"	115.000138
"1153806"	126.078751	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+3ACN+2H"	125.094202
"1701172"	259.089985	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+NH4+CF3COOH"	132.026685
"1635362"	264.04538	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+Na+CF3COOH"	136.98208
"1585597"	280.01932	"C10149"	"Guvacine"	"C6H9NO2"	"127.0633"	"M+K+CF3COOH"	152.95602
"809405"	281.1263	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M"	0
"977470"	262.10791	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-H2O-H"	-19.01839
"67901"	186.410257333333	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M-3H"	-3.021828
"509649"	280.119024	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M-3H"	-3.021828
"887451"	92.7014906666667	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-3H"	-3.021828
"4933"	280.119024	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M-2H"	-2.014552
"448869"	420.682174	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M-2H"	-2.014552
"822298"	139.555874	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-2H"	-2.014552
"80463"	561.245324	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M-H"	-1.007276
"519046"	842.371624	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M-H"	-1.007276
"895835"	280.119024	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-H"	-1.007276
"47608"	578.271871	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M-2H+NH4"	16.019271
"487190"	859.398171	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M-2H+NH4"	16.019271
"865065"	297.145571	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-2H+NH4"	16.019271
"31942"	583.227266	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M-2H+Na"	20.974666
"473381"	864.353566	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M-2H+Na"	20.974666
"859937"	302.100966	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-2H+Na"	20.974666
"1631655"	302.100966	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Na-2H"	20.974666
"106729"	298.107363	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M-H+Cl"	33.962126
"549331"	438.670513	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M-H+Cl"	33.962126
"941387"	157.544213	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-H+Cl"	33.962126
"281402"	597.222002	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+Cl"	34.969402
"672240"	878.348302	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+Cl"	34.969402
"1287686"	316.095702	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Cl"	34.969402
"26111"	599.201206	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M-2H+K"	36.948606
"461296"	880.327506	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M-2H+K"	36.948606
"839097"	318.074906	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-2H+K"	36.948606
"1561490"	318.074906	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+K-2H"	36.948606
"952655"	326.124494	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-H+HCOOH"	44.998194
"366497"	607.250801	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+HCOOH-H"	44.998201
"353662"	621.266451	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+Hac-H"	59.013851
"1497028"	340.140151	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Hac-H"	59.013851
"964571"	348.106451	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-H+NaCOOH"	66.980151
"118945"	316.095702	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+2Cl"	69.938804
"558506"	456.658852	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+2Cl"	69.938804
"1030585"	175.532552	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2Cl"	69.938804
"1247976"	360.045185	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Br"	78.918885
"1307143"	362.101172	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Cl+HCOOH"	80.974872
"1324272"	384.083129	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Cl+NaCOOH"	102.956829
"915703"	394.111886	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M-H+CF3COOH"	112.985586
"1297883"	430.088564	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Cl+CF3COOH"	148.962264
"1376045"	246.113624	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H-2H2O"	-35.012676
"1392446"	264.1236	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H-H2O"	-17.0027
"287762"	563.259876	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+H"	1.007276
"685652"	844.386176	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+H"	1.007276
"1355440"	282.133576	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H"	1.007276
"140237"	282.133576	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+2H"	2.014552
"576637"	422.696726	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+2H"	2.014552
"1049811"	141.570426	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2H"	2.014552
"217712"	188.424809333333	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+3H"	3.021828
"653993"	282.133576	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+3H"	3.021828
"1171024"	94.7160426666667	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+3H"	3.021828
"432110"	580.286423	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+NH4"	18.033823
"791283"	861.412723	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+NH4"	18.033823
"1688342"	299.160123	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+NH4"	18.033823
"334433"	290.6468495	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+H+NH4"	19.041099
"726489"	431.2099995	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+H+NH4"	19.041099
"1479945"	150.0836995	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H+NH4"	19.041099
"394009"	585.241818	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+Na"	22.989218
"763639"	866.368118	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+Na"	22.989218
"1613929"	304.115518	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Na"	22.989218
"326884"	293.124547	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+H+Na"	23.996494
"719669"	433.687697	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+H+Na"	23.996494
"1474944"	152.561397	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H+Na"	23.996494
"1063819"	102.043356666667	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2H+Na"	25.00377
"1270844"	314.159786	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+CH3OH+H"	33.033486
"390265"	601.215758	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+K"	38.963158
"752723"	882.342058	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+K"	38.963158
"1554046"	320.089458	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+K"	38.963158
"312314"	301.111517	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+H+K"	39.970434
"697442"	441.674667	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+H+K"	39.970434
"1453449"	160.548367	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H+K"	39.970434
"239861"	604.286426	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+ACN+H"	42.033826
"1216948"	323.160126	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+ACN+H"	42.033826
"1200831"	162.083701	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+ACN+2H"	43.041102
"194795"	607.22376	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+2Na-H"	44.97116
"631441"	888.35006	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+2Na-H"	44.97116
"1138592"	326.09746	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2Na-H"	44.97116
"181519"	304.115518	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+2Na"	45.978436
"618162"	444.678668	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+2Na"	45.978436
"1122762"	163.552368	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2Na"	45.978436
"1404099"	109.370670666667	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H+2Na"	46.985712
"1437673"	328.139046	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H+HCOOH"	47.012746
"226274"	309.14854	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+3H2O+2H"	56.04448
"1518713"	342.19109	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+IsoProp+H"	61.06479
"414027"	312.102488	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+Na+K"	61.952376
"778306"	452.665638	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+Na+K"	61.952376
"1675730"	171.539338	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Na+K"	61.952376
"265180"	626.268368	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+ACN+Na"	64.015768
"1237888"	345.142068	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+ACN+Na"	64.015768
"1725318"	345.165593	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+NH4+HCOOH"	64.039293
"1191401"	116.697984666667	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+3Na"	68.967654
"1662386"	350.120988	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Na+HCOOH"	68.994688
"167426"	639.17164	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+2K-H"	76.91904
"606620"	920.29794	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+2K-H"	76.91904
"1095506"	358.04534	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2K-H"	76.91904
"153052"	320.089458	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"2M+2K"	77.926316
"594069"	460.652608	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"3M+2K"	77.926316
"1079673"	179.526308	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2K"	77.926316
"1108507"	360.059892	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2K+H"	78.933592
"1342705"	360.147507	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+DMSO+H"	79.021207
"1017793"	364.186676	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2ACN+H"	83.060376
"1532640"	365.180308	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+IsoProp+Na+H"	84.054008
"997994"	182.596976	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+2ACN+2H"	84.067652
"1593591"	366.094928	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+K+HCOOH"	84.968628
"1425812"	396.126438	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+H+CF3COOH"	115.000138
"1150636"	203.110251	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+3ACN+2H"	125.094202
"1701282"	413.152985	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+NH4+CF3COOH"	132.026685
"1635840"	418.10838	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+Na+CF3COOH"	136.98208
"1585707"	434.08232	"C10150"	"Harzianopyridone"	"C14H19NO5"	"281.1263"	"M+K+CF3COOH"	152.95602
"808423"	159.0895	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M"	0
"978675"	140.07111	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-H2O-H"	-19.01839
"70198"	105.052390666667	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M-3H"	-3.021828
"510853"	158.082224	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M-3H"	-3.021828
"884280"	52.0225573333333	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-3H"	-3.021828
"8325"	158.082224	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M-2H"	-2.014552
"448978"	237.626974	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M-2H"	-2.014552
"820218"	78.537474	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-2H"	-2.014552
"86772"	317.171724	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M-H"	-1.007276
"519278"	476.261224	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M-H"	-1.007276
"896598"	158.082224	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-H"	-1.007276
"47242"	334.198271	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M-2H+NH4"	16.019271
"489323"	493.287771	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M-2H+NH4"	16.019271
"865786"	175.108771	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-2H+NH4"	16.019271
"32713"	339.153666	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M-2H+Na"	20.974666
"482971"	498.243166	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M-2H+Na"	20.974666
"861871"	180.064166	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-2H+Na"	20.974666
"1629580"	180.064166	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Na-2H"	20.974666
"103922"	176.070563	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M-H+Cl"	33.962126
"544576"	255.615313	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M-H+Cl"	33.962126
"938092"	96.525813	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-H+Cl"	33.962126
"281265"	353.148402	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+Cl"	34.969402
"673444"	512.237902	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+Cl"	34.969402
"1286941"	194.058902	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Cl"	34.969402
"27313"	355.127606	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M-2H+K"	36.948606
"459217"	514.217106	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M-2H+K"	36.948606
"837020"	196.038106	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-2H+K"	36.948606
"1564882"	196.038106	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+K-2H"	36.948606
"951672"	204.087694	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-H+HCOOH"	44.998194
"363326"	363.177201	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+HCOOH-H"	44.998201
"350490"	377.192851	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+Hac-H"	59.013851
"1497136"	218.103351	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Hac-H"	59.013851
"963585"	226.069651	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-H+NaCOOH"	66.980151
"115775"	194.058902	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+2Cl"	69.938804
"558616"	273.603652	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+2Cl"	69.938804
"1026685"	114.514152	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2Cl"	69.938804
"1245170"	238.008385	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Br"	78.918885
"1306161"	240.064372	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Cl+HCOOH"	80.974872
"1326941"	262.046329	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Cl+NaCOOH"	102.956829
"920189"	272.075086	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M-H+CF3COOH"	112.985586
"1295805"	308.051764	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Cl+CF3COOH"	148.962264
"1373966"	124.076824	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H-2H2O"	-35.012676
"1395835"	142.0868	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H-H2O"	-17.0027
"286779"	319.186276	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+H"	1.007276
"686854"	478.275776	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+H"	1.007276
"1356644"	160.096776	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H"	1.007276
"129530"	160.096776	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+2H"	2.014552
"571644"	239.641526	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+2H"	2.014552
"1044453"	80.552026	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2H"	2.014552
"216728"	107.066942666667	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+3H"	3.021828
"658962"	160.096776	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+3H"	3.021828
"1175506"	54.0371093333333	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+3H"	3.021828
"433313"	336.212823	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+NH4"	18.033823
"792121"	495.302323	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+NH4"	18.033823
"1687358"	177.123323	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+NH4"	18.033823
"331018"	168.6100495	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+H+NH4"	19.041099
"726235"	248.1547995	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+H+NH4"	19.041099
"1480053"	89.0652995	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H+NH4"	19.041099
"395820"	341.168218	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+Na"	22.989218
"764842"	500.257718	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+Na"	22.989218
"1616225"	182.078718	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Na"	22.989218
"326630"	171.087747	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+H+Na"	23.996494
"721117"	250.632497	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+H+Na"	23.996494
"1475665"	91.542997	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H+Na"	23.996494
"1067207"	61.3644233333333	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2H+Na"	25.00377
"1269622"	192.122986	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+CH3OH+H"	33.033486
"391468"	357.142158	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+K"	38.963158
"751743"	516.231658	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+K"	38.963158
"1553430"	198.052658	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+K"	38.963158
"311696"	179.074717	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+H+K"	39.970434
"700834"	258.619467	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+H+K"	39.970434
"1453559"	99.529967	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H+K"	39.970434
"241064"	360.212826	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+ACN+H"	42.033826
"1220706"	201.123326	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+ACN+H"	42.033826
"1199119"	101.065301	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+ACN+2H"	43.041102
"193813"	363.15016	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+2Na-H"	44.97116
"635196"	522.23966	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+2Na-H"	44.97116
"1141255"	204.06066	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2Na-H"	44.97116
"182722"	182.078718	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+2Na"	45.978436
"619001"	261.623468	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+2Na"	45.978436
"1123237"	102.533968	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2Na"	45.978436
"1404574"	68.6917373333333	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H+2Na"	46.985712
"1442158"	206.102246	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H+HCOOH"	47.012746
"226385"	187.11174	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+3H2O+2H"	56.04448
"1518459"	220.15429	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+IsoProp+H"	61.06479
"411951"	190.065688	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+Na+K"	61.952376
"778418"	269.610438	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+Na+K"	61.952376
"1679375"	110.520938	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Na+K"	61.952376
"265654"	382.194768	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+ACN+Na"	64.015768
"1240065"	223.105268	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+ACN+Na"	64.015768
"1723241"	223.128793	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+NH4+HCOOH"	64.039293
"1191875"	76.0190513333333	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+3Na"	68.967654
"1663589"	228.084188	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Na+HCOOH"	68.994688
"170451"	395.09804	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+2K-H"	76.91904
"611104"	554.18754	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+2K-H"	76.91904
"1098893"	236.00854	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2K-H"	76.91904
"155348"	198.052658	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"2M+2K"	77.926316
"593810"	277.597408	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"3M+2K"	77.926316
"1080147"	118.507908	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2K"	77.926316
"1111170"	238.023092	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2K+H"	78.933592
"1343909"	238.110707	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+DMSO+H"	79.021207
"1012438"	242.149876	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2ACN+H"	83.060376
"1534938"	243.143508	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+IsoProp+Na+H"	84.054008
"1000291"	121.578576	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+2ACN+2H"	84.067652
"1596980"	244.058128	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+K+HCOOH"	84.968628
"1424829"	274.089638	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+H+CF3COOH"	115.000138
"1150746"	142.091851	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+3ACN+2H"	125.094202
"1701389"	291.116185	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+NH4+CF3COOH"	132.026685
"1638137"	296.07158	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+Na+CF3COOH"	136.98208
"1585817"	312.04552	"C10151"	"3-Hydroxystachydrine"	"C7H13NO3"	"159.0895"	"M+K+CF3COOH"	152.95602
"803062"	143.131	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M"	0
"979879"	124.11261	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-H2O-H"	-19.01839
"69216"	94.4133906666667	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M-3H"	-3.021828
"506590"	142.123724	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M-3H"	-3.021828
"884392"	46.7030573333333	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-3H"	-3.021828
"8435"	142.123724	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M-2H"	-2.014552
"445807"	213.689224	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M-2H"	-2.014552
"826889"	70.558224	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-2H"	-2.014552
"86883"	285.254724	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M-H"	-1.007276
"519515"	428.385724	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M-H"	-1.007276
"898898"	142.123724	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-H"	-1.007276
"48412"	302.281271	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M-2H+NH4"	16.019271
"491621"	445.412271	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M-2H+NH4"	16.019271
"866141"	159.150271	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-2H+NH4"	16.019271
"35500"	307.236666	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M-2H+Na"	20.974666
"482353"	450.367666	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M-2H+Na"	20.974666
"862343"	164.105666	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-2H+Na"	20.974666
"1630784"	164.105666	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Na-2H"	20.974666
"106219"	160.112063	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M-H+Cl"	33.962126
"546874"	231.677563	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M-H+Cl"	33.962126
"936015"	88.546563	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-H+Cl"	33.962126
"278579"	321.231402	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+Cl"	34.969402
"673553"	464.362402	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+Cl"	34.969402
"1285957"	178.100402	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Cl"	34.969402
"24142"	323.210606	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M-2H+K"	36.948606
"464797"	466.341606	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M-2H+K"	36.948606
"835670"	180.079606	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-2H+K"	36.948606
"1558796"	180.079606	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+K-2H"	36.948606
"947408"	188.129194	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-H+HCOOH"	44.998194
"363438"	331.260201	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+HCOOH-H"	44.998201
"348415"	345.275851	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+Hac-H"	59.013851
"1497251"	202.144851	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Hac-H"	59.013851
"964793"	210.111151	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-H+NaCOOH"	66.980151
"114794"	178.100402	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+2Cl"	69.938804
"556541"	249.665902	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+2Cl"	69.938804
"1025337"	106.534902	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2Cl"	69.938804
"1247103"	222.049885	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Br"	78.918885
"1311743"	224.105872	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Cl+HCOOH"	80.974872
"1327054"	246.087829	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Cl+NaCOOH"	102.956829
"924311"	256.116586	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M-H+CF3COOH"	112.985586
"1294823"	292.093264	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Cl+CF3COOH"	148.962264
"1374076"	108.118324	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H-2H2O"	-35.012676
"1394852"	126.1283	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H-H2O"	-17.0027
"286889"	287.269276	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+H"	1.007276
"685871"	430.400276	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+H"	1.007276
"1358941"	144.138276	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H"	1.007276
"131830"	144.138276	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+2H"	2.014552
"569202"	215.703776	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+2H"	2.014552
"1047845"	72.572776	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2H"	2.014552
"210278"	96.4279426666667	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+3H"	3.021828
"650931"	144.138276	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+3H"	3.021828
"1166872"	48.7176093333333	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+3H"	3.021828
"425160"	304.295823	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+NH4"	18.033823
"788951"	447.426823	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+NH4"	18.033823
"1685283"	161.164823	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+NH4"	18.033823
"334653"	152.6515495	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+H+NH4"	19.041099
"725981"	224.2170495	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+H+NH4"	19.041099
"1479436"	81.0860495	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H+NH4"	19.041099
"401770"	309.251218	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+Na"	22.989218
"768237"	452.382218	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+Na"	22.989218
"1616220"	166.120218	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Na"	22.989218
"326374"	155.129247	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+H+Na"	23.996494
"721468"	226.694747	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+H+Na"	23.996494
"1475530"	83.563747	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H+Na"	23.996494
"1066953"	56.0449233333333	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2H+Na"	25.00377
"1271183"	176.164486	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+CH3OH+H"	33.033486
"390495"	325.225158	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+K"	38.963158
"753676"	468.356158	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+K"	38.963158
"1555287"	182.094158	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+K"	38.963158
"310711"	163.116217	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+H+K"	39.970434
"698758"	234.681717	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+H+K"	39.970434
"1452576"	91.550717	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H+K"	39.970434
"249567"	328.295826	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+ACN+H"	42.033826
"1221544"	185.164826	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+ACN+H"	42.033826
"1207253"	93.086051	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+ACN+2H"	43.041102
"200488"	331.23316	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+2Na-H"	44.97116
"637859"	474.36416	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+2Na-H"	44.97116
"1142460"	188.10216	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2Na-H"	44.97116
"183562"	166.120218	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+2Na"	45.978436
"623490"	237.685718	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+2Na"	45.978436
"1122256"	94.554718	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2Na"	45.978436
"1409788"	63.3722373333333	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H+2Na"	46.985712
"1443728"	190.143746	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H+HCOOH"	47.012746
"229778"	171.15324	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+3H2O+2H"	56.04448
"1511644"	204.19579	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+IsoProp+H"	61.06479
"413155"	174.107188	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+Na+K"	61.952376
"784001"	245.672688	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+Na+K"	61.952376
"1679239"	102.541688	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Na+K"	61.952376
"264304"	350.277768	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+ACN+Na"	64.015768
"1238109"	207.146768	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+ACN+Na"	64.015768
"1724809"	207.170293	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+NH4+HCOOH"	64.039293
"1189800"	70.6995513333333	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+3Na"	68.967654
"1661877"	212.125688	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Na+HCOOH"	68.994688
"168739"	363.18104	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+2K-H"	76.91904
"609026"	506.31204	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+2K-H"	76.91904
"1097548"	220.05004	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2K-H"	76.91904
"154730"	182.094158	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"2M+2K"	77.926316
"595383"	253.659658	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"3M+2K"	77.926316
"1081353"	110.528658	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2K"	77.926316
"1112741"	222.064592	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2K+H"	78.933592
"1347299"	222.152207	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+DMSO+H"	79.021207
"1014734"	226.191376	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2ACN+H"	83.060376
"1529579"	227.185008	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+IsoProp+Na+H"	84.054008
"997121"	113.599326	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+2ACN+2H"	84.067652
"1593810"	228.099628	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+K+HCOOH"	84.968628
"1426032"	258.131138	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+H+CF3COOH"	115.000138
"1150854"	134.112601	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+3ACN+2H"	125.094202
"1703687"	275.157685	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+NH4+CF3COOH"	132.026685
"1638244"	280.11308	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+Na+CF3COOH"	136.98208
"1585927"	296.08702	"C10152"	"(-)-Hygroline"	"C8H17NO"	"143.131"	"M+K+CF3COOH"	152.95602
"804265"	287.1885	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M"	0
"974680"	268.17011	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-H2O-H"	-19.01839
"64949"	190.451724	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M-3H"	-3.021828
"506700"	286.181224	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M-3H"	-3.021828
"884503"	94.722224	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-3H"	-3.021828
"3079"	286.181224	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M-2H"	-2.014552
"442639"	429.775474	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M-2H"	-2.014552
"825906"	142.586974	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-2H"	-2.014552
"82619"	573.369724	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M-H"	-1.007276
"526554"	860.558224	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M-H"	-1.007276
"898889"	286.181224	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-H"	-1.007276
"53265"	590.396271	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M-2H+NH4"	16.019271
"491731"	877.584771	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M-2H+NH4"	16.019271
"867709"	303.207771	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-2H+NH4"	16.019271
"41810"	595.351666	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M-2H+Na"	20.974666
"484651"	882.540166	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M-2H+Na"	20.974666
"863548"	308.163166	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-2H+Na"	20.974666
"1629802"	308.163166	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Na-2H"	20.974666
"103050"	304.169563	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M-H+Cl"	33.962126
"545526"	447.763813	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M-H+Cl"	33.962126
"936125"	160.575313	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-H+Cl"	33.962126
"277962"	609.346402	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+Cl"	34.969402
"667104"	896.534902	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+Cl"	34.969402
"1287773"	322.157902	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Cl"	34.969402
"24252"	611.325606	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M-2H+K"	36.948606
"464907"	898.514106	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M-2H+K"	36.948606
"836145"	324.137106	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-2H+K"	36.948606
"1559635"	324.137106	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+K-2H"	36.948606
"946789"	332.186694	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-H+HCOOH"	44.998194
"363548"	619.375201	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+HCOOH-H"	44.998201
"349618"	633.390851	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+Hac-H"	59.013851
"1496268"	346.202351	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Hac-H"	59.013851
"962716"	354.168651	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-H+NaCOOH"	66.980151
"112717"	322.157902	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+2Cl"	69.938804
"551305"	465.752152	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+2Cl"	69.938804
"1024110"	178.563652	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2Cl"	69.938804
"1245025"	366.107385	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Br"	78.918885
"1307838"	368.163372	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Cl+HCOOH"	80.974872
"1327160"	390.145329	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Cl+NaCOOH"	102.956829
"923690"	400.174086	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M-H+CF3COOH"	112.985586
"1299306"	436.150764	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Cl+CF3COOH"	148.962264
"1374186"	252.175824	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H-2H2O"	-35.012676
"1390588"	270.1858	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H-H2O"	-17.0027
"290279"	575.384276	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+H"	1.007276
"682701"	862.572776	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+H"	1.007276
"1359051"	288.195776	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H"	1.007276
"131940"	288.195776	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+2H"	2.014552
"568218"	431.790026	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+2H"	2.014552
"1044674"	144.601526	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2H"	2.014552
"210386"	192.466276	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+3H"	3.021828
"653228"	288.195776	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+3H"	3.021828
"1168075"	96.736776	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+3H"	3.021828
"425755"	592.410823	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+NH4"	18.033823
"791612"	879.599323	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+NH4"	18.033823
"1686486"	305.222323	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+NH4"	18.033823
"335491"	296.7090495	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+H+NH4"	19.041099
"726090"	440.3032995	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+H+NH4"	19.041099
"1483192"	153.1147995	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H+NH4"	19.041099
"402973"	597.366218	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+Na"	22.989218
"766161"	884.554718	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+Na"	22.989218
"1617543"	310.177718	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Na"	22.989218
"325391"	299.186747	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+H+Na"	23.996494
"720364"	442.780997	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+H+Na"	23.996494
"1473817"	155.592497	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H+Na"	23.996494
"1065605"	104.06409	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2H+Na"	25.00377
"1269477"	320.221986	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+CH3OH+H"	33.033486
"390604"	613.340158	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+K"	38.963158
"751230"	900.528658	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+K"	38.963158
"1551458"	326.151658	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+K"	38.963158
"309727"	307.173717	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+H+K"	39.970434
"696681"	450.767967	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+H+K"	39.970434
"1451593"	163.579467	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H+K"	39.970434
"248584"	616.410826	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+ACN+H"	42.033826
"1220561"	329.222326	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+ACN+H"	42.033826
"1206269"	165.114801	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+ACN+2H"	43.041102
"200963"	619.34816	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+2Na-H"	44.97116
"637969"	906.53666	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+2Na-H"	44.97116
"1142936"	332.15966	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2Na-H"	44.97116
"185133"	310.177718	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+2Na"	45.978436
"624329"	453.771968	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+2Na"	45.978436
"1121272"	166.583468	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2Na"	45.978436
"1409170"	111.391404	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H+2Na"	46.985712
"1443471"	334.201246	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H+HCOOH"	47.012746
"230980"	315.21074	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+3H2O+2H"	56.04448
"1511389"	348.25329	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+IsoProp+H"	61.06479
"413265"	318.164688	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+Na+K"	61.952376
"784719"	461.758938	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+Na+K"	61.952376
"1680076"	174.570438	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Na+K"	61.952376
"262591"	638.392768	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+ACN+Na"	64.015768
"1239313"	351.204268	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+ACN+Na"	64.015768
"1724554"	351.227793	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+NH4+HCOOH"	64.039293
"1191367"	118.718718	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+3Na"	68.967654
"1661257"	356.183188	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Na+HCOOH"	68.994688
"169211"	651.29604	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+2K-H"	76.91904
"609864"	938.48454	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+2K-H"	76.91904
"1097659"	364.10754	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2K-H"	76.91904
"154720"	326.151658	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"2M+2K"	77.926316
"595494"	469.745908	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"3M+2K"	77.926316
"1081464"	182.557408	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2K"	77.926316
"1112119"	366.122092	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2K+H"	78.933592
"1346318"	366.209707	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+DMSO+H"	79.021207
"1012658"	370.248876	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2ACN+H"	83.060376
"1529690"	371.242508	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+IsoProp+Na+H"	84.054008
"995044"	185.628076	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+2ACN+2H"	84.067652
"1597200"	372.157128	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+K+HCOOH"	84.968628
"1429665"	402.188638	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+H+CF3COOH"	115.000138
"1148779"	206.141351	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+3ACN+2H"	125.094202
"1707077"	419.215185	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+NH4+CF3COOH"	132.026685
"1636168"	424.17058	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+Na+CF3COOH"	136.98208
"1582757"	440.14452	"C10153"	"Isolobinine"	"C18H25NO2"	"287.1885"	"M+K+CF3COOH"	152.95602
"803646"	629.5859	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M"	0
"977543"	610.56751	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-H2O-H"	-19.01839
"65059"	418.716657333333	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M-3H"	-3.021828
"506808"	628.578624	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M-3H"	-3.021828
"884976"	208.854690666667	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-3H"	-3.021828
"7562"	628.578624	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M-2H"	-2.014552
"445298"	943.371574	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M-2H"	-2.014552
"824193"	313.785674	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-2H"	-2.014552
"80905"	1258.164524	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M-H"	-1.007276
"526664"	1887.750424	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M-H"	-1.007276
"901186"	628.578624	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-H"	-1.007276
"53375"	1275.191071	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M-2H+NH4"	16.019271
"492934"	1904.776971	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M-2H+NH4"	16.019271
"867819"	645.605171	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-2H+NH4"	16.019271
"40827"	1280.146466	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M-2H+Na"	20.974666
"481481"	1909.732366	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M-2H+Na"	20.974666
"863292"	650.560566	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-2H+Na"	20.974666
"1630640"	650.560566	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Na-2H"	20.974666
"104253"	646.566963	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M-H+Cl"	33.962126
"539440"	961.359913	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M-H+Cl"	33.962126
"939517"	331.774013	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-H+Cl"	33.962126
"282207"	1294.141202	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+Cl"	34.969402
"671592"	1923.727102	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+Cl"	34.969402
"1283995"	664.555302	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Cl"	34.969402
"21081"	1296.120406	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M-2H+K"	36.948606
"466110"	1925.706306	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M-2H+K"	36.948606
"839537"	666.534506	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-2H+K"	36.948606
"1560839"	666.534506	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+K-2H"	36.948606
"949815"	674.584094	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-H+HCOOH"	44.998194
"365844"	1304.170001	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+HCOOH-H"	44.998201
"348635"	1318.185651	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+Hac-H"	59.013851
"1497468"	688.599751	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Hac-H"	59.013851
"961731"	696.566051	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-H+NaCOOH"	66.980151
"118293"	664.555302	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+2Cl"	69.938804
"552388"	979.348252	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+2Cl"	69.938804
"1024465"	349.762352	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2Cl"	69.938804
"1242950"	708.504785	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Br"	78.918885
"1309773"	710.560772	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Cl+HCOOH"	80.974872
"1326177"	732.542729	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Cl+NaCOOH"	102.956829
"922707"	742.571486	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M-H+CF3COOH"	112.985586
"1301602"	778.548164	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Cl+CF3COOH"	148.962264
"1374296"	594.573224	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H-2H2O"	-35.012676
"1390698"	612.5832	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H-H2O"	-17.0027
"290389"	1260.179076	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+H"	1.007276
"680624"	1889.764976	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+H"	1.007276
"1360254"	630.593176	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H"	1.007276
"134237"	630.593176	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+2H"	2.014552
"572703"	945.386126	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+2H"	2.014552
"1042596"	315.800226	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2H"	2.014552
"210497"	420.731209333333	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+3H"	3.021828
"648598"	630.593176	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+3H"	3.021828
"1169279"	210.869242666667	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+3H"	3.021828
"428175"	1277.205623	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+NH4"	18.033823
"786617"	1906.791523	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+NH4"	18.033823
"1687689"	647.619723	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+NH4"	18.033823
"332685"	639.1064495	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+H+NH4"	19.041099
"724012"	953.8993995	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+H+NH4"	19.041099
"1483303"	324.3134995	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H+NH4"	19.041099
"401990"	1282.161018	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+Na"	22.989218
"767364"	1911.746918	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+Na"	22.989218
"1617532"	652.575118	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Na"	22.989218
"326594"	641.584147	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+H+Na"	23.996494
"721201"	956.377097	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+H+Na"	23.996494
"1473927"	326.791197	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H+Na"	23.996494
"1067172"	218.196556666667	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2H+Na"	25.00377
"1271769"	662.619386	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+CH3OH+H"	33.033486
"391927"	1298.134958	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+K"	38.963158
"751704"	1927.720858	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+K"	38.963158
"1551568"	668.549058	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+K"	38.963158
"308744"	649.571117	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+H+K"	39.970434
"698979"	964.364067	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+H+K"	39.970434
"1450610"	334.778167	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H+K"	39.970434
"244682"	1301.205626	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+ACN+H"	42.033826
"1221763"	671.619726	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+ACN+H"	42.033826
"1206379"	336.313501	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+ACN+2H"	43.041102
"200708"	1304.14296	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+2Na-H"	44.97116
"638079"	1933.72886	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+2Na-H"	44.97116
"1141588"	674.55706	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2Na-H"	44.97116
"184876"	652.575118	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+2Na"	45.978436
"622251"	967.368068	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+2Na"	45.978436
"1122476"	337.782168	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2Na"	45.978436
"1411466"	225.523870666667	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H+2Na"	46.985712
"1440302"	676.598646	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H+HCOOH"	47.012746
"228904"	657.60814	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+3H2O+2H"	56.04448
"1512594"	690.65069	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+IsoProp+H"	61.06479
"419573"	660.562088	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+Na+K"	61.952376
"785560"	975.355038	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+Na+K"	61.952376
"1680550"	345.769138	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Na+K"	61.952376
"265984"	1323.187568	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+ACN+Na"	64.015768
"1240153"	693.601668	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+ACN+Na"	64.015768
"1726850"	693.625193	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+NH4+HCOOH"	64.039293
"1192693"	232.851184666667	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+3Na"	68.967654
"1662825"	698.580588	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Na+HCOOH"	68.994688
"170050"	1336.09084	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+2K-H"	76.91904
"611068"	1965.67674	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+2K-H"	76.91904
"1095948"	706.50494	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2K-H"	76.91904
"154586"	668.549058	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"2M+2K"	77.926316
"593054"	983.342008	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"3M+2K"	77.926316
"1082667"	353.756108	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2K"	77.926316
"1113325"	708.519492	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2K+H"	78.933592
"1346429"	708.607107	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+DMSO+H"	79.021207
"1016050"	712.646276	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2ACN+H"	83.060376
"1529799"	713.639908	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+IsoProp+Na+H"	84.054008
"995153"	356.826776	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+2ACN+2H"	84.067652
"1598406"	714.554528	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+K+HCOOH"	84.968628
"1428439"	744.586038	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+H+CF3COOH"	115.000138
"1153261"	377.340051	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+3ACN+2H"	125.094202
"1708281"	761.612585	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+NH4+CF3COOH"	132.026685
"1645025"	766.56798	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+Na+CF3COOH"	136.98208
"1572292"	782.54192	"C10154"	"Juliflorine"	"C40H75N3O2"	"629.5859"	"M+K+CF3COOH"	152.95602
"803392"	157.1103	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M"	0
"975832"	138.09191	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-H2O-H"	-19.01839
"66262"	103.732924	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M-3H"	-3.021828
"506918"	156.103024	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M-3H"	-3.021828
"884723"	51.362824	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-3H"	-3.021828
"1354"	156.103024	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M-2H"	-2.014552
"441764"	234.658174	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M-2H"	-2.014552
"819566"	77.547874	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-2H"	-2.014552
"82839"	313.213324	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M-H"	-1.007276
"523494"	470.323624	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M-H"	-1.007276
"902390"	156.103024	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-H"	-1.007276
"53485"	330.239871	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M-2H+NH4"	16.019271
"496691"	487.350171	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M-2H+NH4"	16.019271
"876680"	173.129571	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-2H+NH4"	16.019271
"39842"	335.195266	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M-2H+Na"	20.974666
"484874"	492.305566	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M-2H+Na"	20.974666
"863040"	178.084966	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-2H+Na"	20.974666
"1630023"	178.084966	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Na-2H"	20.974666
"107645"	174.091363	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M-H+Cl"	33.962126
"542832"	252.646513	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M-H+Cl"	33.962126
"936347"	95.536213	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-H+Cl"	33.962126
"281103"	349.190002	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+Cl"	34.969402
"672797"	506.300302	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+Cl"	34.969402
"1284104"	192.079702	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Cl"	34.969402
"24472"	351.169206	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M-2H+K"	36.948606
"468407"	508.279506	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M-2H+K"	36.948606
"841835"	194.058906	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-2H+K"	36.948606
"1562043"	194.058906	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+K-2H"	36.948606
"946645"	202.108494	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-H+HCOOH"	44.998194
"364862"	359.218801	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+HCOOH-H"	44.998201
"349839"	373.234451	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+Hac-H"	59.013851
"1495391"	216.124151	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Hac-H"	59.013851
"962934"	224.090451	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-H+NaCOOH"	66.980151
"118404"	192.079702	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+2Cl"	69.938804
"557964"	270.634852	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+2Cl"	69.938804
"1025670"	113.524552	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2Cl"	69.938804
"1244154"	236.029185	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Br"	78.918885
"1309884"	238.085172	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Cl+HCOOH"	80.974872
"1329569"	260.067129	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Cl+NaCOOH"	102.956829
"922817"	270.095886	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M-H+CF3COOH"	112.985586
"1295151"	306.072564	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Cl+CF3COOH"	148.962264
"1374406"	122.097624	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H-2H2O"	-35.012676
"1390808"	140.1076	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H-H2O"	-17.0027
"285032"	315.227876	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+H"	1.007276
"679642"	472.338176	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+H"	1.007276
"1353074"	158.117576	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H"	1.007276
"127782"	158.117576	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+2H"	2.014552
"571721"	236.672726	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+2H"	2.014552
"1041614"	79.562426	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2H"	2.014552
"207328"	105.747476	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+3H"	3.021828
"649074"	158.117576	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+3H"	3.021828
"1165015"	53.377376	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+3H"	3.021828
"425004"	332.254423	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+NH4"	18.033823
"786362"	489.364723	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+NH4"	18.033823
"1684519"	175.144123	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+NH4"	18.033823
"331702"	166.6308495	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+H+NH4"	19.041099
"723269"	245.1859995	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+H+NH4"	19.041099
"1481225"	88.0756995	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H+NH4"	19.041099
"402100"	337.209818	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+Na"	22.989218
"767112"	494.320118	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+Na"	22.989218
"1616669"	180.099518	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Na"	22.989218
"326340"	169.108547	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+H+Na"	23.996494
"720217"	247.663697	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+H+Na"	23.996494
"1470757"	90.553397	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H+Na"	23.996494
"1067654"	60.70469	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2H+Na"	25.00377
"1270790"	190.143786	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+CH3OH+H"	33.033486
"391189"	353.183758	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+K"	38.963158
"753480"	510.294058	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+K"	38.963158
"1555292"	196.073458	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+K"	38.963158
"306667"	177.095517	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+H+K"	39.970434
"701276"	255.650667	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+H+K"	39.970434
"1458013"	98.540367	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H+K"	39.970434
"248438"	356.254426	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+ACN+H"	42.033826
"1225511"	199.144126	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+ACN+H"	42.033826
"1206491"	100.075701	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+ACN+2H"	43.041102
"198996"	359.19176	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+2Na-H"	44.97116
"641106"	516.30206	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+2Na-H"	44.97116
"1132950"	202.08146	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2Na-H"	44.97116
"186084"	180.099518	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+2Na"	45.978436
"624913"	258.654668	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+2Na"	45.978436
"1123680"	101.544368	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2Na"	45.978436
"1411213"	68.032004	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H+2Na"	46.985712
"1442598"	204.123046	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H+HCOOH"	47.012746
"229014"	185.13254	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+3H2O+2H"	56.04448
"1511611"	218.17509	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+IsoProp+H"	61.06479
"419319"	188.086488	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+Na+K"	61.952376
"785548"	266.641638	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+Na+K"	61.952376
"1681253"	109.531338	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Na+K"	61.952376
"265728"	378.236368	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+ACN+Na"	64.015768
"1239169"	221.126068	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+ACN+Na"	64.015768
"1726596"	221.149593	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+NH4+HCOOH"	64.039293
"1192315"	75.359318	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+3Na"	68.967654
"1661844"	226.104988	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Na+HCOOH"	68.994688
"170528"	391.13964	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+2K-H"	76.91904
"609358"	548.24994	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+2K-H"	76.91904
"1096785"	234.02934	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2K-H"	76.91904
"154696"	196.073458	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"2M+2K"	77.926316
"594621"	274.628608	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"3M+2K"	77.926316
"1081319"	117.518308	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2K"	77.926316
"1113071"	236.043892	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2K+H"	78.933592
"1339977"	236.131507	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+DMSO+H"	79.021207
"1012879"	240.170676	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2ACN+H"	83.060376
"1524924"	241.164308	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+IsoProp+Na+H"	84.054008
"991984"	120.588976	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+2ACN+2H"	84.067652
"1589769"	242.078928	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+K+HCOOH"	84.968628
"1424176"	272.110438	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+H+CF3COOH"	115.000138
"1153371"	141.102251	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+3ACN+2H"	125.094202
"1702923"	289.136985	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+NH4+CF3COOH"	132.026685
"1645135"	294.09238	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+Na+CF3COOH"	136.98208
"1574226"	310.06632	"C10155"	"Lentiginosine"	"C8H15NO2"	"157.1103"	"M+K+CF3COOH"	152.95602
"810066"	339.2198	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M"	0
"978129"	320.20141	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-H2O-H"	-19.01839
"69653"	225.139257333333	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M-3H"	-3.021828
"510311"	338.212524	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M-3H"	-3.021828
"883738"	112.065990666667	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-3H"	-3.021828
"5596"	338.212524	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M-2H"	-2.014552
"445155"	507.822424	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M-2H"	-2.014552
"822957"	168.602624	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-2H"	-2.014552
"92307"	677.432324	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M-H"	-1.007276
"526886"	1016.652124	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M-H"	-1.007276
"906511"	338.212524	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-H"	-1.007276
"62687"	694.458871	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M-2H+NH4"	16.019271
"499353"	1033.678671	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M-2H+NH4"	16.019271
"875334"	355.239071	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-2H+NH4"	16.019271
"45667"	699.414266	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M-2H+Na"	20.974666
"484623"	1038.634066	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M-2H+Na"	20.974666
"863527"	360.194466	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-2H+Na"	20.974666
"1633706"	360.194466	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Na-2H"	20.974666
"109343"	356.200863	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M-H+Cl"	33.962126
"547683"	525.810763	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M-H+Cl"	33.962126
"938643"	186.590963	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-H+Cl"	33.962126
"281456"	713.409002	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+Cl"	34.969402
"674119"	1052.628802	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+Cl"	34.969402
"1285307"	374.189202	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Cl"	34.969402
"27867"	715.388206	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M-2H+K"	36.948606
"461959"	1054.608006	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M-2H+K"	36.948606
"834656"	376.168406	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-2H+K"	36.948606
"1557781"	376.168406	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+K-2H"	36.948606
"951134"	384.217994	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-H+HCOOH"	44.998194
"368258"	723.437801	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+HCOOH-H"	44.998201
"352136"	737.453451	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+Hac-H"	59.013851
"1497691"	398.233651	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Hac-H"	59.013851
"966327"	406.199951	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-H+NaCOOH"	66.980151
"119609"	374.189202	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+2Cl"	69.938804
"553700"	543.799102	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+2Cl"	69.938804
"1027968"	204.579302	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2Cl"	69.938804
"1248640"	418.138685	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Br"	78.918885
"1308901"	420.194672	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Cl+HCOOH"	80.974872
"1325307"	442.176629	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Cl+NaCOOH"	102.956829
"920740"	452.205386	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M-H+CF3COOH"	112.985586
"1292344"	488.182064	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Cl+CF3COOH"	148.962264
"1368924"	304.207124	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H-2H2O"	-35.012676
"1384362"	322.2171	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H-H2O"	-17.0027
"288422"	679.446876	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+H"	1.007276
"685217"	1018.666676	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+H"	1.007276
"1355007"	340.227076	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H"	1.007276
"127529"	340.227076	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+2H"	2.014552
"569644"	509.836976	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+2H"	2.014552
"1041724"	170.617176	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2H"	2.014552
"210721"	227.153809333333	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+3H"	3.021828
"648458"	340.227076	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+3H"	3.021828
"1170595"	114.080542666667	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+3H"	3.021828
"429493"	696.473423	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+NH4"	18.033823
"791585"	1035.693223	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+NH4"	18.033823
"1685724"	357.253623	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+NH4"	18.033823
"335097"	348.7403495	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+H+NH4"	19.041099
"729709"	518.3502495	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+H+NH4"	19.041099
"1486808"	179.1304495	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H+NH4"	19.041099
"407198"	701.428818	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+Na"	22.989218
"766858"	1040.648618	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+Na"	22.989218
"1613499"	362.209018	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Na"	22.989218
"327548"	351.218047	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+H+Na"	23.996494
"718147"	520.827947	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+H+Na"	23.996494
"1473425"	181.608147	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H+Na"	23.996494
"1066306"	121.407856666667	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2H+Na"	25.00377
"1269805"	372.253286	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+CH3OH+H"	33.033486
"391906"	717.402758	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+K"	38.963158
"752172"	1056.622558	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+K"	38.963158
"1555418"	378.182958	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+K"	38.963158
"314213"	359.205017	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+H+K"	39.970434
"706784"	528.814917	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+H+K"	39.970434
"1459223"	189.595117	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H+K"	39.970434
"247823"	720.473426	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+ACN+H"	42.033826
"1214333"	381.253626	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+ACN+H"	42.033826
"1205506"	191.130451	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+ACN+2H"	43.041102
"191454"	723.41076	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+2Na-H"	44.97116
"633931"	1062.63056	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+2Na-H"	44.97116
"1134156"	384.19096	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2Na-H"	44.97116
"177447"	362.209018	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+2Na"	45.978436
"617006"	531.818918	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+2Na"	45.978436
"1123792"	192.599118	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2Na"	45.978436
"1402942"	128.735170666667	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H+2Na"	46.985712
"1438339"	386.232546	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H+HCOOH"	47.012746
"226942"	367.24204	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+3H2O+2H"	56.04448
"1516099"	400.28459	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+IsoProp+H"	61.06479
"420165"	370.195988	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+Na+K"	61.952376
"784444"	539.805888	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+Na+K"	61.952376
"1676771"	200.586088	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Na+K"	61.952376
"263291"	742.455368	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+ACN+Na"	64.015768
"1235270"	403.235568	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+ACN+Na"	64.015768
"1728413"	403.259093	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+NH4+HCOOH"	64.039293
"1189146"	136.062484666667	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+3Na"	68.967654
"1659404"	408.214488	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Na+HCOOH"	68.994688
"166993"	755.35864	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+2K-H"	76.91904
"611657"	1094.57844	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+2K-H"	76.91904
"1096166"	416.13884	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2K-H"	76.91904
"154077"	378.182958	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"2M+2K"	77.926316
"592909"	547.792858	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"3M+2K"	77.926316
"1081431"	208.573058	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2K"	77.926316
"1111360"	418.153392	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2K+H"	78.933592
"1345920"	418.241007	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+DMSO+H"	79.021207
"1012990"	422.280176	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2ACN+H"	83.060376
"1532937"	423.273808	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+IsoProp+Na+H"	84.054008
"993188"	211.643726	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+2ACN+2H"	84.067652
"1598262"	424.188428	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+K+HCOOH"	84.968628
"1429024"	454.219938	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+H+CF3COOH"	115.000138
"1151295"	232.157001	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+3ACN+2H"	125.094202
"1707408"	471.246485	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+NH4+CF3COOH"	132.026685
"1641967"	476.20188	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+Na+CF3COOH"	136.98208
"1572149"	492.17582	"C10156"	"Lobelanidine"	"C22H29NO2"	"339.2198"	"M+K+CF3COOH"	152.95602
"803612"	335.1885	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M"	0
"978239"	316.17011	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-H2O-H"	-19.01839
"65389"	222.451724	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M-3H"	-3.021828
"507136"	334.181224	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M-3H"	-3.021828
"881658"	110.722224	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-3H"	-3.021828
"3514"	334.181224	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M-2H"	-2.014552
"441255"	501.775474	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M-2H"	-2.014552
"819786"	166.586974	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-2H"	-2.014552
"92781"	669.369724	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M-H"	-1.007276
"526996"	1004.558224	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M-H"	-1.007276
"908078"	334.181224	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-H"	-1.007276
"61608"	686.396271	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M-2H+NH4"	16.019271
"500435"	1021.584771	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M-2H+NH4"	16.019271
"875444"	351.207771	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-2H+NH4"	16.019271
"45291"	691.351666	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M-2H+Na"	20.974666
"484369"	1026.540166	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M-2H+Na"	20.974666
"863393"	356.163166	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-2H+Na"	20.974666
"1633288"	356.163166	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Na-2H"	20.974666
"108600"	352.169563	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M-H+Cl"	33.962126
"545971"	519.763813	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M-H+Cl"	33.962126
"938753"	184.575313	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-H+Cl"	33.962126
"281567"	705.346402	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+Cl"	34.969402
"674350"	1040.534902	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+Cl"	34.969402
"1284324"	370.157902	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Cl"	34.969402
"24697"	707.325606	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M-2H+K"	36.948606
"459882"	1042.514106	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M-2H+K"	36.948606
"834402"	372.137106	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-2H+K"	36.948606
"1558984"	372.137106	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+K-2H"	36.948606
"943628"	380.186694	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-H+HCOOH"	44.998194
"367273"	715.375201	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+HCOOH-H"	44.998201
"352249"	729.390851	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+Hac-H"	59.013851
"1499988"	394.202351	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Hac-H"	59.013851
"963156"	402.168651	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-H+NaCOOH"	66.980151
"115343"	370.157902	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+2Cl"	69.938804
"552714"	537.752152	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+2Cl"	69.938804
"1023338"	202.563652	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2Cl"	69.938804
"1248750"	414.107385	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Br"	78.918885
"1306824"	416.163372	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Cl+HCOOH"	80.974872
"1325417"	438.145329	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Cl+NaCOOH"	102.956829
"914654"	448.174086	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M-H+CF3COOH"	112.985586
"1293182"	484.150764	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Cl+CF3COOH"	148.962264
"1370613"	300.175824	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H-2H2O"	-35.012676
"1385922"	318.1858	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H-H2O"	-17.0027
"286341"	671.384276	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+H"	1.007276
"682043"	1006.572776	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+H"	1.007276
"1355117"	336.195776	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H"	1.007276
"127638"	336.195776	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+2H"	2.014552
"569754"	503.790026	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+2H"	2.014552
"1040740"	168.601526	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2H"	2.014552
"208274"	224.466276	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+3H"	3.021828
"646744"	336.195776	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+3H"	3.021828
"1164623"	112.736776	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+3H"	3.021828
"426320"	688.410823	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+NH4"	18.033823
"786582"	1023.599323	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+NH4"	18.033823
"1683281"	353.222323	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+NH4"	18.033823
"333017"	344.7090495	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+H+NH4"	19.041099
"729816"	512.3032995	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+H+NH4"	19.041099
"1484732"	177.1147995	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H+NH4"	19.041099
"406339"	693.366218	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+Na"	22.989218
"768061"	1028.554718	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+Na"	22.989218
"1613244"	358.177718	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Na"	22.989218
"326929"	347.186747	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+H+Na"	23.996494
"719346"	514.780997	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+H+Na"	23.996494
"1472806"	179.592497	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H+Na"	23.996494
"1065686"	120.06409	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2H+Na"	25.00377
"1270644"	368.221986	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+CH3OH+H"	33.033486
"387758"	709.340158	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+K"	38.963158
"752767"	1044.528658	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+K"	38.963158
"1555067"	374.151658	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+K"	38.963158
"312848"	355.173717	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+H+K"	39.970434
"706850"	522.767967	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+H+K"	39.970434
"1457876"	187.579467	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H+K"	39.970434
"245745"	712.410826	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+ACN+H"	42.033826
"1214443"	377.222326	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+ACN+H"	42.033826
"1202700"	189.114801	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+ACN+2H"	43.041102
"191564"	715.34816	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+2Na-H"	44.97116
"634041"	1050.53666	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+2Na-H"	44.97116
"1135359"	380.15966	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2Na-H"	44.97116
"178650"	358.177718	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+2Na"	45.978436
"616023"	525.771968	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+2Na"	45.978436
"1122808"	190.583468	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2Na"	45.978436
"1403416"	127.391404	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H+2Na"	46.985712
"1437356"	382.201246	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H+HCOOH"	47.012746
"225959"	363.21074	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+3H2O+2H"	56.04448
"1516209"	396.25329	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+IsoProp+H"	61.06479
"419547"	366.164688	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+Na+K"	61.952376
"784922"	533.758938	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+Na+K"	61.952376
"1679430"	198.570438	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Na+K"	61.952376
"265588"	734.392768	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+ACN+Na"	64.015768
"1238296"	399.204268	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+ACN+Na"	64.015768
"1728369"	399.227793	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+NH4+HCOOH"	64.039293
"1188891"	134.718718	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+3Na"	68.967654
"1662429"	404.183188	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Na+HCOOH"	68.994688
"168196"	747.29604	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+2K-H"	76.91904
"611647"	1082.48454	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+2K-H"	76.91904
"1097734"	412.10754	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2K-H"	76.91904
"154187"	374.151658	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"2M+2K"	77.926316
"592653"	541.745908	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"3M+2K"	77.926316
"1081905"	206.557408	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2K"	77.926316
"1112563"	414.122092	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2K+H"	78.933592
"1347852"	414.209707	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+DMSO+H"	79.021207
"1013100"	418.248876	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2ACN+H"	83.060376
"1533411"	419.242508	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+IsoProp+Na+H"	84.054008
"995484"	209.628076	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+2ACN+2H"	84.067652
"1596549"	420.157128	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+K+HCOOH"	84.968628
"1426582"	450.188638	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+H+CF3COOH"	115.000138
"1151405"	230.141351	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+3ACN+2H"	125.094202
"1707518"	467.215185	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+NH4+CF3COOH"	132.026685
"1642077"	472.17058	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+Na+CF3COOH"	136.98208
"1571894"	488.14452	"C10157"	"Lobelanine"	"C22H25NO2"	"335.1885"	"M+K+CF3COOH"	152.95602
"810283"	151.0997	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M"	0
"986004"	132.08131	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"69871"	99.7258573333333	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"510527"	150.092424	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"886143"	49.3592906666667	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"9093"	150.092424	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"445376"	225.642274	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"819167"	74.542574	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"89732"	301.192124	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"527106"	452.291824	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"904908"	150.092424	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"61351"	318.218671	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"501642"	469.318371	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"879457"	167.118971	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"46220"	323.174066	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"486549"	474.273766	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"863628"	172.074366	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1633648"	172.074366	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"109076"	168.080763	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"549447"	243.630613	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"941294"	92.530913	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"282046"	337.168802	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"674945"	488.268502	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1284434"	186.069102	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"30519"	339.148006	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"465460"	490.247706	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"836700"	188.048306	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1560188"	188.048306	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"946977"	196.097894	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"368477"	347.197601	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"352359"	361.213251	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1500098"	210.113551	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"963266"	218.079851	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"112173"	186.069102	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"552824"	261.618952	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1023813"	110.519252	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1251047"	230.018585	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1310214"	232.074572	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1326620"	254.056529	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"920961"	264.085286	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1289646"	300.061964	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1368173"	116.087024	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1383849"	134.097	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"286451"	303.206676	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"682153"	454.306376	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1353039"	152.106976	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"131397"	152.106976	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"573509"	227.656826	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1040485"	76.557126	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"207655"	101.740409333333	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"646853"	152.106976	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1165341"	51.3738426666667	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"427158"	320.233223	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"787424"	471.332923	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1683391"	169.133523	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"331304"	160.6202495	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"731019"	236.1700995	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1483748"	85.0703995	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"408191"	325.188618	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"769268"	476.288318	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1616637"	174.088918	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"327404"	163.097947	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"722010"	238.647797	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1476524"	87.548097	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1068415"	58.7011566666667	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1272726"	184.133186	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"392411"	341.162558	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"749957"	492.262258	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1555301"	190.062858	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"314021"	171.084917	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"705986"	246.634767	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1459078"	95.535067	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"250921"	344.233226	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1216741"	193.133526	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1204997"	97.070401	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"193496"	347.17056	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"632691"	498.27026	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1134007"	196.07086	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"178759"	174.088918	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"616861"	249.638768	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1120002"	98.539068	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1403526"	66.0284706666667	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1436736"	198.112446	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"229349"	179.12194	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1521057"	212.16449	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"420750"	182.075888	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"783938"	257.625738	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1680518"	106.526038	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"265701"	366.215168	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1238410"	215.115468	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1727996"	215.138993	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1193623"	73.3557846666667	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1664981"	220.094388	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"171589"	379.11844	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"611149"	530.21814	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1098574"	228.01874	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"155273"	190.062858	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"595558"	265.612708	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1082015"	114.513008	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1112673"	230.033292	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1348692"	230.120907	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1015397"	234.160076	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1533521"	235.153708	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"998875"	117.583676	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1596659"	236.068328	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1426692"	266.099838	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1152608"	138.096951	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1708721"	283.126385	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1642187"	288.08178	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1574557"	304.05572	"C10158"	"Mearsine"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"803832"	141.1518	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M"	0
"974489"	122.13341	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-H2O-H"	-19.01839
"63178"	93.093924	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M-3H"	-3.021828
"508451"	140.144524	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M-3H"	-3.021828
"886253"	46.043324	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-3H"	-3.021828
"10295"	140.144524	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M-2H"	-2.014552
"445486"	210.720424	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M-2H"	-2.014552
"820370"	69.568624	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-2H"	-2.014552
"86561"	281.296324	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M-H"	-1.007276
"523936"	422.448124	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M-H"	-1.007276
"905018"	140.144524	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-H"	-1.007276
"61461"	298.322871	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M-2H+NH4"	16.019271
"501021"	439.474671	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M-2H+NH4"	16.019271
"879644"	157.171071	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-2H+NH4"	16.019271
"46693"	303.278266	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M-2H+Na"	20.974666
"486412"	444.430066	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M-2H+Na"	20.974666
"864108"	162.126466	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-2H+Na"	20.974666
"1633641"	162.126466	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Na-2H"	20.974666
"109387"	158.132863	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M-H+Cl"	33.962126
"549475"	228.708763	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M-H+Cl"	33.962126
"941768"	87.556963	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-H+Cl"	33.962126
"281540"	317.273002	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+Cl"	34.969402
"672140"	458.424802	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+Cl"	34.969402
"1277983"	176.121202	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Cl"	34.969402
"28198"	319.252206	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M-2H+K"	36.948606
"460103"	460.404006	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M-2H+K"	36.948606
"834987"	178.100406	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-2H+K"	36.948606
"1557018"	178.100406	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+K-2H"	36.948606
"944900"	186.149994	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-H+HCOOH"	44.998194
"369680"	327.301801	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+HCOOH-H"	44.998201
"352469"	341.317451	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+Hac-H"	59.013851
"1500208"	200.165651	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Hac-H"	59.013851
"963376"	208.131951	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-H+NaCOOH"	66.980151
"113376"	176.121202	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+2Cl"	69.938804
"551841"	246.697102	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+2Cl"	69.938804
"1027200"	105.545302	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2Cl"	69.938804
"1252250"	220.070685	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Br"	78.918885
"1310324"	222.126672	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Cl+HCOOH"	80.974872
"1325637"	244.108629	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Cl+NaCOOH"	102.956829
"921071"	254.137386	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M-H+CF3COOH"	112.985586
"1290485"	290.114064	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Cl+CF3COOH"	148.962264
"1368647"	106.139124	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H-2H2O"	-35.012676
"1384688"	124.1491	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H-H2O"	-17.0027
"289841"	283.310876	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+H"	1.007276
"682263"	424.462676	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+H"	1.007276
"1358614"	142.159076	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H"	1.007276
"133689"	142.159076	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+2H"	2.014552
"576529"	212.734976	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+2H"	2.014552
"1038768"	71.583176	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2H"	2.014552
"206668"	95.108476	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+3H"	3.021828
"646597"	142.159076	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+3H"	3.021828
"1166545"	48.057876	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+3H"	3.021828
"427268"	300.337423	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+NH4"	18.033823
"787898"	441.489223	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+NH4"	18.033823
"1683501"	159.185623	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+NH4"	18.033823
"331779"	150.6723495	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+H+NH4"	19.041099
"731129"	221.2482495	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+H+NH4"	19.041099
"1487866"	80.0964495	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H+NH4"	19.041099
"408340"	305.292818	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+Na"	22.989218
"769256"	446.444618	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+Na"	22.989218
"1617111"	164.141018	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Na"	22.989218
"328243"	153.150047	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+H+Na"	23.996494
"722242"	223.725947	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+H+Na"	23.996494
"1476795"	82.574147	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H+Na"	23.996494
"1066632"	55.38519	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2H+Na"	25.00377
"1271591"	174.185286	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+CH3OH+H"	33.033486
"387975"	321.266758	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+K"	38.963158
"750064"	462.418558	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+K"	38.963158
"1555159"	180.114958	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+K"	38.963158
"314085"	161.137017	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+H+K"	39.970434
"703904"	231.712917	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+H+K"	39.970434
"1459916"	90.561117	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H+K"	39.970434
"249611"	324.337426	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+ACN+H"	42.033826
"1216851"	183.185626	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+ACN+H"	42.033826
"1201827"	92.096451	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+ACN+2H"	43.041102
"193606"	327.27476	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+2Na-H"	44.97116
"632073"	468.42656	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+2Na-H"	44.97116
"1135209"	186.12296	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2Na-H"	44.97116
"175953"	164.141018	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+2Na"	45.978436
"617336"	234.716918	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+2Na"	45.978436
"1120112"	93.565118	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2Na"	45.978436
"1400718"	62.712504	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H+2Na"	46.985712
"1436482"	188.164546	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H+HCOOH"	47.012746
"225448"	169.17404	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+3H2O+2H"	56.04448
"1518615"	202.21659	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+IsoProp+H"	61.06479
"421588"	172.127988	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+Na+K"	61.952376
"783314"	242.703888	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+Na+K"	61.952376
"1680386"	101.552088	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Na+K"	61.952376
"265083"	346.319368	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+ACN+Na"	64.015768
"1238520"	205.167568	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+ACN+Na"	64.015768
"1725946"	205.191093	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+NH4+HCOOH"	64.039293
"1192397"	70.039818	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+3Na"	68.967654
"1662285"	210.146488	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Na+HCOOH"	68.994688
"170971"	359.22264	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+2K-H"	76.91904
"610894"	500.37444	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+2K-H"	76.91904
"1097591"	218.07084	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2K-H"	76.91904
"156353"	180.114958	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"2M+2K"	77.926316
"593238"	250.690858	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"3M+2K"	77.926316
"1082125"	109.539058	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2K"	77.926316
"1112783"	220.085392	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2K+H"	78.933592
"1349894"	220.173007	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+DMSO+H"	79.021207
"1015507"	224.212176	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2ACN+H"	83.060376
"1531445"	225.205808	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+IsoProp+Na+H"	84.054008
"998985"	112.609726	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+2ACN+2H"	84.067652
"1596769"	226.120428	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+K+HCOOH"	84.968628
"1423522"	256.151938	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+H+CF3COOH"	115.000138
"1151625"	133.123001	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+3ACN+2H"	125.094202
"1707738"	273.178485	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+NH4+CF3COOH"	132.026685
"1642297"	278.13388	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+Na+CF3COOH"	136.98208
"1573574"	294.10782	"C10159"	"Methylconiine;()-N-Methylconiine"	"C9H19N"	"141.1518"	"M+K+CF3COOH"	152.95602
"803942"	146.0844	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M"	0
"975045"	127.06601	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-H2O-H"	-19.01839
"63159"	96.382324	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M-3H"	-3.021828
"507468"	145.077124	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M-3H"	-3.021828
"886363"	47.687524	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-3H"	-3.021828
"9312"	145.077124	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M-2H"	-2.014552
"445596"	218.119324	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M-2H"	-2.014552
"820116"	72.034924	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-2H"	-2.014552
"86671"	291.161524	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M-H"	-1.007276
"528418"	437.245924	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M-H"	-1.007276
"905128"	145.077124	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-H"	-1.007276
"61936"	308.188071	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M-2H+NH4"	16.019271
"501740"	454.272471	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M-2H+NH4"	16.019271
"879886"	162.103671	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-2H+NH4"	16.019271
"47084"	313.143466	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M-2H+Na"	20.974666
"485430"	459.227866	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M-2H+Na"	20.974666
"864135"	167.059066	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-2H+Na"	20.974666
"1633789"	167.059066	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Na-2H"	20.974666
"109538"	163.065463	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M-H+Cl"	33.962126
"549341"	236.107663	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M-H+Cl"	33.962126
"940906"	90.023263	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-H+Cl"	33.962126
"280557"	327.138202	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+Cl"	34.969402
"674680"	473.222602	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+Cl"	34.969402
"1281373"	181.053802	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Cl"	34.969402
"28306"	329.117406	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M-2H+K"	36.948606
"465679"	475.201806	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M-2H+K"	36.948606
"836920"	183.033006	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-2H+K"	36.948606
"1559679"	183.033006	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+K-2H"	36.948606
"943918"	191.082594	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-H+HCOOH"	44.998194
"367603"	337.167001	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+HCOOH-H"	44.998201
"354766"	351.182651	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+Hac-H"	59.013851
"1500318"	205.098251	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Hac-H"	59.013851
"963486"	213.064551	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-H+NaCOOH"	66.980151
"113850"	181.053802	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+2Cl"	69.938804
"550493"	254.096002	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+2Cl"	69.938804
"1025124"	108.011602	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2Cl"	69.938804
"1251996"	225.003285	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Br"	78.918885
"1310434"	227.059272	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Cl+HCOOH"	80.974872
"1326840"	249.041229	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Cl+NaCOOH"	102.956829
"918994"	259.069986	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M-H+CF3COOH"	112.985586
"1289257"	295.046664	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Cl+CF3COOH"	148.962264
"1367664"	111.071724	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H-2H2O"	-35.012676
"1384066"	129.0817	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H-H2O"	-17.0027
"282937"	293.176076	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+H"	1.007276
"676905"	439.260476	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+H"	1.007276
"1358721"	147.091676	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H"	1.007276
"128696"	147.091676	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+2H"	2.014552
"576638"	220.133876	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+2H"	2.014552
"1041066"	74.049476	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2H"	2.014552
"206413"	98.396876	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+3H"	3.021828
"646708"	147.091676	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+3H"	3.021828
"1165926"	49.702076	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+3H"	3.021828
"425190"	310.202623	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+NH4"	18.033823
"787279"	456.287023	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+NH4"	18.033823
"1684340"	164.118223	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+NH4"	18.033823
"331888"	155.6049495	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+H+NH4"	19.041099
"730146"	228.6471495	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+H+NH4"	19.041099
"1487247"	82.5627495	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H+NH4"	19.041099
"408000"	315.158018	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+Na"	22.989218
"768760"	461.242418	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+Na"	22.989218
"1617462"	169.073618	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Na"	22.989218
"323975"	158.082647	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+H+Na"	23.996494
"718581"	231.124847	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+H+Na"	23.996494
"1476983"	85.040447	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H+Na"	23.996494
"1067471"	57.02939	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2H+Na"	25.00377
"1270242"	179.117886	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+CH3OH+H"	33.033486
"384805"	331.131958	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+K"	38.963158
"749810"	477.216358	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+K"	38.963158
"1548950"	185.047558	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+K"	38.963158
"312687"	166.069617	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+H+K"	39.970434
"702921"	239.111817	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+H+K"	39.970434
"1459657"	93.027417	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H+K"	39.970434
"250569"	334.202626	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+ACN+H"	42.033826
"1219144"	188.118226	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+ACN+H"	42.033826
"1204122"	94.562751	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+ACN+2H"	43.041102
"192623"	337.13996	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+2Na-H"	44.97116
"630723"	483.22436	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+2Na-H"	44.97116
"1134593"	191.05556	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2Na-H"	44.97116
"178249"	169.073618	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+2Na"	45.978436
"615986"	242.115818	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+2Na"	45.978436
"1121315"	96.031418	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2Na"	45.978436
"1401557"	64.356704	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H+2Na"	46.985712
"1437685"	193.097146	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H+HCOOH"	47.012746
"225558"	174.10664	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+3H2O+2H"	56.04448
"1518725"	207.14919	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+IsoProp+H"	61.06479
"420604"	177.060588	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+Na+K"	61.952376
"782695"	250.102788	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+Na+K"	61.952376
"1679765"	104.018388	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Na+K"	61.952376
"265921"	356.184568	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+ACN+Na"	64.015768
"1238995"	210.100168	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+ACN+Na"	64.015768
"1725330"	210.123693	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+NH4+HCOOH"	64.039293
"1193600"	71.684018	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+3Na"	68.967654
"1664221"	215.079088	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Na+HCOOH"	68.994688
"171810"	369.08784	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+2K-H"	76.91904
"611856"	515.17224	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+2K-H"	76.91904
"1099282"	223.00344	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2K-H"	76.91904
"156344"	185.047558	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"2M+2K"	77.926316
"595535"	258.089758	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"3M+2K"	77.926316
"1082478"	112.005358	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2K"	77.926316
"1113621"	225.017992	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2K+H"	78.933592
"1350368"	225.105607	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+DMSO+H"	79.021207
"1015617"	229.144776	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2ACN+H"	83.060376
"1531555"	230.138408	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+IsoProp+Na+H"	84.054008
"998002"	115.076026	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+2ACN+2H"	84.067652
"1596879"	231.053028	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+K+HCOOH"	84.968628
"1423632"	261.084538	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+H+CF3COOH"	115.000138
"1152828"	135.589301	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+3ACN+2H"	125.094202
"1707848"	278.111085	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+NH4+CF3COOH"	132.026685
"1642407"	283.06648	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+Na+CF3COOH"	136.98208
"1573684"	299.04042	"C10160"	"Myosmine"	"C9H10N2"	"146.0844"	"M+K+CF3COOH"	152.95602
"807332"	158.0844	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M"	0
"976856"	139.06601	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-H2O-H"	-19.01839
"65099"	104.382324	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M-3H"	-3.021828
"508671"	157.077124	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M-3H"	-3.021828
"886473"	51.687524	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-3H"	-3.021828
"9422"	157.077124	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M-2H"	-2.014552
"445706"	236.119324	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M-2H"	-2.014552
"820226"	78.034924	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-2H"	-2.014552
"87873"	315.161524	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M-H"	-1.007276
"527435"	473.245924	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M-H"	-1.007276
"905238"	157.077124	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-H"	-1.007276
"61684"	332.188071	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M-2H+NH4"	16.019271
"501488"	490.272471	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M-2H+NH4"	16.019271
"879505"	174.103671	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-2H+NH4"	16.019271
"46474"	337.143466	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M-2H+Na"	20.974666
"485784"	495.227866	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M-2H+Na"	20.974666
"863351"	179.059066	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-2H+Na"	20.974666
"1632512"	179.059066	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Na-2H"	20.974666
"107823"	175.065463	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M-H+Cl"	33.962126
"547872"	254.107663	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M-H+Cl"	33.962126
"941019"	96.023263	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-H+Cl"	33.962126
"281642"	351.138202	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+Cl"	34.969402
"674793"	509.222602	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+Cl"	34.969402
"1281483"	193.053802	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Cl"	34.969402
"30118"	353.117406	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M-2H+K"	36.948606
"462509"	511.201806	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M-2H+K"	36.948606
"834844"	195.033006	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-2H+K"	36.948606
"1560519"	195.033006	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+K-2H"	36.948606
"942857"	203.082594	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-H+HCOOH"	44.998194
"364431"	361.167001	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+HCOOH-H"	44.998201
"347221"	375.182651	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+Hac-H"	59.013851
"1500428"	217.098251	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Hac-H"	59.013851
"961408"	225.064551	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-H+NaCOOH"	66.980151
"112137"	193.053802	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+2Cl"	69.938804
"553152"	272.096002	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+2Cl"	69.938804
"1023046"	114.011602	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2Cl"	69.938804
"1245906"	237.003285	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Br"	78.918885
"1308354"	239.059272	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Cl+HCOOH"	80.974872
"1323670"	261.041229	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Cl+NaCOOH"	102.956829
"920197"	271.069986	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M-H+CF3COOH"	112.985586
"1289248"	307.046664	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Cl+CF3COOH"	148.962264
"1369595"	123.071724	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H-2H2O"	-35.012676
"1384176"	141.0817	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H-H2O"	-17.0027
"283500"	317.176076	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+H"	1.007276
"678108"	475.260476	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+H"	1.007276
"1357738"	159.091676	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H"	1.007276
"130629"	159.091676	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+2H"	2.014552
"576748"	238.133876	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+2H"	2.014552
"1041540"	80.049476	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2H"	2.014552
"207980"	106.396876	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+3H"	3.021828
"649005"	159.091676	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+3H"	3.021828
"1166036"	53.702076	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+3H"	3.021828
"425664"	334.202623	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+NH4"	18.033823
"788118"	492.287023	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+NH4"	18.033823
"1683720"	176.118223	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+NH4"	18.033823
"332728"	167.6049495	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+H+NH4"	19.041099
"732442"	246.6471495	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+H+NH4"	19.041099
"1488450"	88.5627495	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H+NH4"	19.041099
"406287"	339.158018	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+Na"	22.989218
"768990"	497.242418	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+Na"	22.989218
"1615874"	181.073618	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Na"	22.989218
"327368"	170.082647	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+H+Na"	23.996494
"720151"	249.124847	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+H+Na"	23.996494
"1475068"	91.040447	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H+Na"	23.996494
"1067464"	61.02939	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2H+Na"	25.00377
"1271691"	191.117886	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+CH3OH+H"	33.033486
"389292"	355.131958	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+K"	38.963158
"752839"	513.216358	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+K"	38.963158
"1550154"	197.047558	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+K"	38.963158
"312069"	178.069617	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+H+K"	39.970434
"703760"	257.111817	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+H+K"	39.970434
"1458310"	99.027417	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H+K"	39.970434
"249098"	358.202626	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+ACN+H"	42.033826
"1218160"	200.118226	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+ACN+H"	42.033826
"1206054"	100.562751	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+ACN+2H"	43.041102
"201476"	361.13996	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+2Na-H"	44.97116
"635572"	519.22436	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+2Na-H"	44.97116
"1134704"	203.05556	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2Na-H"	44.97116
"179089"	181.073618	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+2Na"	45.978436
"618649"	260.115818	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+2Na"	45.978436
"1122519"	102.031418	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2Na"	45.978436
"1401667"	68.356704	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H+2Na"	46.985712
"1435972"	205.097146	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H+HCOOH"	47.012746
"225668"	186.10664	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+3H2O+2H"	56.04448
"1516649"	219.14919	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+IsoProp+H"	61.06479
"420713"	189.060588	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+Na+K"	61.952376
"783170"	268.102788	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+Na+K"	61.952376
"1680482"	110.018388	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Na+K"	61.952376
"266274"	380.184568	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+ACN+Na"	64.015768
"1238740"	222.100168	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+ACN+Na"	64.015768
"1726529"	222.123693	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+NH4+HCOOH"	64.039293
"1192613"	75.684018	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+3Na"	68.967654
"1664205"	227.079088	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Na+HCOOH"	68.994688
"168270"	393.08784	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+2K-H"	76.91904
"610745"	551.17224	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+2K-H"	76.91904
"1097444"	235.00344	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2K-H"	76.91904
"156451"	197.047558	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"2M+2K"	77.926316
"594915"	276.089758	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"3M+2K"	77.926316
"1082224"	118.005358	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2K"	77.926316
"1111909"	237.017992	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2K+H"	78.933592
"1349386"	237.105607	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+DMSO+H"	79.021207
"1012447"	241.144776	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2ACN+H"	83.060376
"1529478"	242.138408	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+IsoProp+Na+H"	84.054008
"994831"	121.076026	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+2ACN+2H"	84.067652
"1599176"	243.053028	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+K+HCOOH"	84.968628
"1423742"	273.084538	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+H+CF3COOH"	115.000138
"1151845"	141.589301	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+3ACN+2H"	125.094202
"1709051"	290.111085	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+NH4+CF3COOH"	132.026685
"1642517"	295.06648	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+Na+CF3COOH"	136.98208
"1573794"	311.04042	"C10161"	"Nicotyrine;beta-Nicotyrine"	"C10H10N2"	"158.0844"	"M+K+CF3COOH"	152.95602
"814005"	175.1361	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M"	0
"984258"	156.11771	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-H2O-H"	-19.01839
"63387"	115.750124	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M-3H"	-3.021828
"514249"	174.128824	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M-3H"	-3.021828
"888772"	57.371424	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-3H"	-3.021828
"5162"	174.128824	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M-2H"	-2.014552
"446909"	261.696874	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M-2H"	-2.014552
"819607"	86.560774	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-2H"	-2.014552
"82515"	349.264924	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M-H"	-1.007276
"528638"	524.401024	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M-H"	-1.007276
"906441"	174.128824	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-H"	-1.007276
"61915"	366.291471	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M-2H+NH4"	16.019271
"502084"	541.427571	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M-2H+NH4"	16.019271
"878682"	191.155371	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-2H+NH4"	16.019271
"45974"	371.246866	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M-2H+Na"	20.974666
"486584"	546.382966	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M-2H+Na"	20.974666
"863087"	196.110766	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-2H+Na"	20.974666
"1631892"	196.110766	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Na-2H"	20.974666
"108417"	192.117163	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M-H+Cl"	33.962126
"546887"	279.685213	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M-H+Cl"	33.962126
"941130"	104.549113	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-H+Cl"	33.962126
"281753"	385.241602	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+Cl"	34.969402
"672347"	560.377702	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+Cl"	34.969402
"1281592"	210.105502	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Cl"	34.969402
"28525"	387.220806	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M-2H+K"	36.948606
"460432"	562.356906	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M-2H+K"	36.948606
"836047"	212.084706	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-2H+K"	36.948606
"1556376"	212.084706	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+K-2H"	36.948606
"942947"	220.134294	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-H+HCOOH"	44.998194
"363447"	395.270401	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+HCOOH-H"	44.998201
"348424"	409.286051	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+Hac-H"	59.013851
"1496163"	234.149951	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Hac-H"	59.013851
"961518"	242.116251	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-H+NaCOOH"	66.980151
"110330"	210.105502	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+2Cl"	69.938804
"550142"	297.673552	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+2Cl"	69.938804
"1021647"	122.537452	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2Cl"	69.938804
"1241881"	254.054985	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Br"	78.918885
"1305548"	256.110972	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Cl+HCOOH"	80.974872
"1325967"	278.092929	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Cl+NaCOOH"	102.956829
"918120"	288.121686	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M-H+CF3COOH"	112.985586
"1289357"	324.098364	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Cl+CF3COOH"	148.962264
"1367883"	140.123424	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H-2H2O"	-35.012676
"1382948"	158.1334	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H-H2O"	-17.0027
"282896"	351.279476	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+H"	1.007276
"675907"	526.415576	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+H"	1.007276
"1355661"	176.143376	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H"	1.007276
"127456"	176.143376	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+2H"	2.014552
"569204"	263.711426	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+2H"	2.014552
"1043472"	88.575326	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2H"	2.014552
"211373"	117.764676	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+3H"	3.021828
"650573"	176.143376	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+3H"	3.021828
"1166146"	59.385976	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+3H"	3.021828
"425651"	368.306023	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+NH4"	18.033823
"786768"	543.442123	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+NH4"	18.033823
"1682369"	193.169923	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+NH4"	18.033823
"332838"	184.6566495	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+H+NH4"	19.041099
"732552"	272.2246995	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+H+NH4"	19.041099
"1487467"	97.0885995	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H+NH4"	19.041099
"406518"	373.261418	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+Na"	22.989218
"769222"	548.397518	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+Na"	22.989218
"1616960"	198.125318	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Na"	22.989218
"328451"	187.134347	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+H+Na"	23.996494
"720261"	274.702397	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+H+Na"	23.996494
"1476272"	99.566297	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H+Na"	23.996494
"1067822"	66.71329	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2H+Na"	25.00377
"1271193"	208.169586	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+CH3OH+H"	33.033486
"390130"	389.235358	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+K"	38.963158
"752226"	564.371458	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+K"	38.963158
"1553179"	214.099258	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+K"	38.963158
"311814"	195.121317	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+H+K"	39.970434
"700954"	282.689367	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+H+K"	39.970434
"1458784"	107.553267	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H+K"	39.970434
"249210"	392.306026	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+ACN+H"	42.033826
"1220459"	217.169926	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+ACN+H"	42.033826
"1208839"	109.088601	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+ACN+2H"	43.041102
"200494"	395.24336	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+2Na-H"	44.97116
"633496"	570.37946	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+2Na-H"	44.97116
"1134812"	220.10726	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2Na-H"	44.97116
"178105"	198.125318	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+2Na"	45.978436
"617665"	285.693368	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+2Na"	45.978436
"1122265"	110.557268	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2Na"	45.978436
"1402143"	74.040604	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H+2Na"	46.985712
"1433165"	222.148846	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H+HCOOH"	47.012746
"225418"	203.15834	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+3H2O+2H"	56.04448
"1520043"	236.20089	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+IsoProp+H"	61.06479
"415355"	206.112288	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+Na+K"	61.952376
"781456"	293.680338	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+Na+K"	61.952376
"1678523"	118.544238	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Na+K"	61.952376
"265773"	414.287968	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+ACN+Na"	64.015768
"1237751"	239.151868	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+ACN+Na"	64.015768
"1724816"	239.175393	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+NH4+HCOOH"	64.039293
"1189440"	81.367918	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+3Na"	68.967654
"1661519"	244.130788	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Na+HCOOH"	68.994688
"167287"	427.19124	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+2K-H"	76.91904
"611222"	602.32734	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+2K-H"	76.91904
"1099379"	252.05514	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2K-H"	76.91904
"154736"	214.099258	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"2M+2K"	77.926316
"594904"	301.667308	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"3M+2K"	77.926316
"1082334"	126.531208	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2K"	77.926316
"1111654"	254.069692	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2K+H"	78.933592
"1348400"	254.157307	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+DMSO+H"	79.021207
"1012557"	258.196476	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2ACN+H"	83.060376
"1529589"	259.190108	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+IsoProp+Na+H"	84.054008
"992755"	129.601876	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+2ACN+2H"	84.067652
"1591633"	260.104728	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+K+HCOOH"	84.968628
"1417292"	290.136238	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+H+CF3COOH"	115.000138
"1154143"	150.115151	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+3ACN+2H"	125.094202
"1702602"	307.162785	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+NH4+CF3COOH"	132.026685
"1639347"	312.11818	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+Na+CF3COOH"	136.98208
"1583747"	328.09212	"C10162"	"Nigrifactin"	"C12H17N"	"175.1361"	"M+K+CF3COOH"	152.95602
"804272"	169.1467	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M"	0
"978901"	150.12831	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-H2O-H"	-19.01839
"63133"	111.757190666667	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M-3H"	-3.021828
"511079"	168.139424	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M-3H"	-3.021828
"892162"	55.3749573333333	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-3H"	-3.021828
"5272"	168.139424	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M-2H"	-2.014552
"441552"	252.712774	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M-2H"	-2.014552
"819353"	83.566074	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-2H"	-2.014552
"82625"	337.286124	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M-H"	-1.007276
"528748"	506.432824	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M-H"	-1.007276
"906551"	168.139424	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-H"	-1.007276
"60685"	354.312671	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M-2H+NH4"	16.019271
"502192"	523.459371	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M-2H+NH4"	16.019271
"879642"	185.165971	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-2H+NH4"	16.019271
"46776"	359.268066	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M-2H+Na"	20.974666
"486741"	528.414766	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M-2H+Na"	20.974666
"863686"	190.121366	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-2H+Na"	20.974666
"1630909"	190.121366	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Na-2H"	20.974666
"108891"	186.127763	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M-H+Cl"	33.962126
"548818"	270.701113	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M-H+Cl"	33.962126
"941847"	101.554413	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-H+Cl"	33.962126
"281863"	373.262802	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+Cl"	34.969402
"672578"	542.409502	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+Cl"	34.969402
"1281702"	204.116102	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Cl"	34.969402
"25355"	375.242006	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M-2H+K"	36.948606
"462728"	544.388706	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M-2H+K"	36.948606
"841623"	206.095306	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-2H+K"	36.948606
"1557458"	206.095306	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+K-2H"	36.948606
"944248"	214.144894	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-H+HCOOH"	44.998194
"362825"	383.291601	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+HCOOH-H"	44.998201
"347441"	397.307251	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+Hac-H"	59.013851
"1496273"	228.160551	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Hac-H"	59.013851
"961628"	236.126851	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-H+NaCOOH"	66.980151
"110196"	204.116102	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+2Cl"	69.938804
"550245"	288.689452	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+2Cl"	69.938804
"1021796"	119.542752	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2Cl"	69.938804
"1241869"	248.065585	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Br"	78.918885
"1304803"	250.121572	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Cl+HCOOH"	80.974872
"1329357"	272.103529	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Cl+NaCOOH"	102.956829
"920417"	282.132286	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M-H+CF3COOH"	112.985586
"1288692"	318.108964	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Cl+CF3COOH"	148.962264
"1367750"	134.134024	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H-2H2O"	-35.012676
"1383299"	152.144	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H-H2O"	-17.0027
"283146"	339.300676	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+H"	1.007276
"676137"	508.447376	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+H"	1.007276
"1355771"	170.153976	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H"	1.007276
"127199"	170.153976	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+2H"	2.014552
"567490"	254.727326	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+2H"	2.014552
"1040297"	85.580626	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2H"	2.014552
"209295"	113.771742666667	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+3H"	3.021828
"652138"	170.153976	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+3H"	3.021828
"1168441"	57.3895093333333	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+3H"	3.021828
"425640"	356.327223	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+NH4"	18.033823
"786633"	525.473923	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+NH4"	18.033823
"1682481"	187.180523	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+NH4"	18.033823
"330883"	178.6672495	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+H+NH4"	19.041099
"731569"	263.2405995	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+H+NH4"	19.041099
"1486484"	94.0938995	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H+NH4"	19.041099
"407721"	361.282618	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+Na"	22.989218
"769330"	530.429318	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+Na"	22.989218
"1618160"	192.135918	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Na"	22.989218
"327223"	181.144947	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+H+Na"	23.996494
"721829"	265.718297	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+H+Na"	23.996494
"1474188"	96.571597	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H+Na"	23.996494
"1067074"	64.7168233333333	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2H+Na"	25.00377
"1271303"	202.180186	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+CH3OH+H"	33.033486
"389512"	377.256558	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+K"	38.963158
"754198"	546.403258	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+K"	38.963158
"1553290"	208.109858	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+K"	38.963158
"312289"	189.131917	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+H+K"	39.970434
"706168"	273.705267	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+H+K"	39.970434
"1460677"	104.558567	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H+K"	39.970434
"249684"	380.327226	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+ACN+H"	42.033826
"1221662"	211.180526	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+ACN+H"	42.033826
"1209393"	106.093901	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+ACN+2H"	43.041102
"201698"	383.26456	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+2Na-H"	44.97116
"635792"	552.41126	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+2Na-H"	44.97116
"1136015"	214.11786	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2Na-H"	44.97116
"181494"	192.135918	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+2Na"	45.978436
"618869"	276.709268	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+2Na"	45.978436
"1122375"	107.562568	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2Na"	45.978436
"1403710"	72.0441373333333	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H+2Na"	46.985712
"1436921"	216.159446	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H+HCOOH"	47.012746
"226621"	197.16894	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+3H2O+2H"	56.04448
"1520153"	230.21149	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+IsoProp+H"	61.06479
"414372"	200.122888	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+Na+K"	61.952376
"782659"	284.696238	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+Na+K"	61.952376
"1680818"	115.549538	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Na+K"	61.952376
"265882"	402.309168	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+ACN+Na"	64.015768
"1238590"	233.162468	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+ACN+Na"	64.015768
"1727113"	233.185993	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+NH4+HCOOH"	64.039293
"1192830"	79.3714513333333	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+3Na"	68.967654
"1663816"	238.141388	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Na+HCOOH"	68.994688
"166304"	415.21244	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+2K-H"	76.91904
"611332"	584.35914	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+2K-H"	76.91904
"1099531"	246.06574	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2K-H"	76.91904
"151565"	208.109858	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"2M+2K"	77.926316
"593313"	292.683208	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"3M+2K"	77.926316
"1076732"	123.536508	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2K"	77.926316
"1112493"	248.080292	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2K+H"	78.933592
"1347417"	248.167907	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+DMSO+H"	79.021207
"1012667"	252.207076	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2ACN+H"	83.060376
"1529699"	253.200708	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+IsoProp+Na+H"	84.054008
"992865"	126.607176	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+2ACN+2H"	84.067652
"1592837"	254.115328	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+K+HCOOH"	84.968628
"1416309"	284.146838	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+H+CF3COOH"	115.000138
"1153160"	147.120451	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+3ACN+2H"	125.094202
"1703805"	301.173385	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+NH4+CF3COOH"	132.026685
"1639457"	306.12878	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+Na+CF3COOH"	136.98208
"1583857"	322.10272	"C10163"	"Nitramine"	"C10H19NO"	"169.1467"	"M+K+CF3COOH"	152.95602
"810943"	123.032	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M"	0
"986667"	104.01361	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H2O-H"	-19.01839
"66159"	81.0140573333333	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-3H"	-3.021828
"517021"	122.024724	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-3H"	-3.021828
"892272"	40.0033906666667	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-3H"	-3.021828
"6476"	122.024724	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H"	-2.014552
"444942"	183.540724	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H"	-2.014552
"822745"	60.508724	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H"	-2.014552
"87110"	245.056724	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-H"	-1.007276
"528859"	368.088724	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-H"	-1.007276
"906661"	122.024724	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H"	-1.007276
"60795"	262.083271	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H+NH4"	16.019271
"502506"	385.115271	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H+NH4"	16.019271
"879789"	139.051271	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H+NH4"	16.019271
"46681"	267.038666	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H+Na"	20.974666
"487051"	390.070666	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H+Na"	20.974666
"863431"	144.006666	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H+Na"	20.974666
"1633816"	144.006666	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na-2H"	20.974666
"109002"	140.013063	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-H+Cl"	33.962126
"549173"	201.529063	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-H+Cl"	33.962126
"942774"	78.497063	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+Cl"	33.962126
"282337"	281.033402	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Cl"	34.969402
"675366"	404.065402	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+Cl"	34.969402
"1285094"	158.001402	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl"	34.969402
"30690"	283.012606	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M-2H+K"	36.948606
"462840"	406.044606	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M-2H+K"	36.948606
"840640"	159.980606	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-2H+K"	36.948606
"1558662"	159.980606	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K-2H"	36.948606
"946545"	168.030194	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+HCOOH"	44.998194
"365855"	291.062201	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+HCOOH-H"	44.998201
"353018"	305.077851	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Hac-H"	59.013851
"1501122"	182.045851	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Hac-H"	59.013851
"965018"	190.012151	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+NaCOOH"	66.980151
"111371"	158.001402	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2Cl"	69.938804
"550566"	219.517402	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2Cl"	69.938804
"1022649"	96.485402	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2Cl"	69.938804
"1242592"	201.950885	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Br"	78.918885
"1305159"	204.006872	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl+HCOOH"	80.974872
"1324362"	225.988829	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl+NaCOOH"	102.956829
"922714"	236.017586	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M-H+CF3COOH"	112.985586
"1290672"	271.994264	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Cl+CF3COOH"	148.962264
"1368102"	88.019324	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H-2H2O"	-35.012676
"1383290"	106.0293	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H-H2O"	-17.0027
"283462"	247.071276	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H"	1.007276
"677710"	370.103276	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H"	1.007276
"1356245"	124.039276	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H"	1.007276
"128766"	124.039276	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2H"	2.014552
"568696"	185.555276	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2H"	2.014552
"1039679"	62.523276	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2H"	2.014552
"211593"	83.0286093333333	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+3H"	3.021828
"653341"	124.039276	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+3H"	3.021828
"1164905"	42.0179426666667	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+3H"	3.021828
"427452"	264.097823	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+NH4"	18.033823
"786989"	387.129823	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+NH4"	18.033823
"1683322"	141.065823	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+NH4"	18.033823
"331236"	132.5525495	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H+NH4"	19.041099
"732772"	194.0685495	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H+NH4"	19.041099
"1487686"	71.0365495	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+NH4"	19.041099
"408155"	269.053218	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Na"	22.989218
"767736"	392.085218	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+Na"	22.989218
"1615835"	146.021218	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na"	22.989218
"328058"	135.030247	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H+Na"	23.996494
"721209"	196.546247	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H+Na"	23.996494
"1472111"	73.514247	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+Na"	23.996494
"1067061"	49.3452566666667	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2H+Na"	25.00377
"1271776"	156.065486	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+CH3OH+H"	33.033486
"391445"	285.027158	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+K"	38.963158
"754107"	408.059158	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+K"	38.963158
"1554493"	161.995158	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K"	38.963158
"313617"	143.017217	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+H+K"	39.970434
"707060"	204.533217	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+H+K"	39.970434
"1461224"	81.501217	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+K"	39.970434
"250768"	288.097826	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+ACN+H"	42.033826
"1222502"	165.065826	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+ACN+H"	42.033826
"1207477"	83.036551	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+ACN+2H"	43.041102
"203879"	291.03516	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2Na-H"	44.97116
"643799"	414.06716	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2Na-H"	44.97116
"1138316"	168.00316	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2Na-H"	44.97116
"182698"	146.021218	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2Na"	45.978436
"625540"	207.537218	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2Na"	45.978436
"1125766"	84.505218	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2Na"	45.978436
"1408196"	56.6725706666667	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+2Na"	46.985712
"1433750"	170.044746	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+HCOOH"	47.012746
"230013"	151.05424	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+3H2O+2H"	56.04448
"1519170"	184.09679	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+IsoProp+H"	61.06479
"422502"	154.008188	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+Na+K"	61.952376
"783498"	215.524188	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+Na+K"	61.952376
"1679720"	92.492188	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na+K"	61.952376
"266359"	310.079768	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+ACN+Na"	64.015768
"1239315"	187.047768	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+ACN+Na"	64.015768
"1727110"	187.071293	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+NH4+HCOOH"	64.039293
"1193833"	63.9998846666667	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+3Na"	68.967654
"1665267"	192.026688	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na+HCOOH"	68.994688
"172254"	322.98304	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2K-H"	76.91904
"612543"	446.01504	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2K-H"	76.91904
"1098996"	199.95104	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2K-H"	76.91904
"155810"	161.995158	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"2M+2K"	77.926316
"595975"	223.511158	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"3M+2K"	77.926316
"1081217"	100.479158	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2K"	77.926316
"1111144"	201.965592	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2K+H"	78.933592
"1342061"	202.053207	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+DMSO+H"	79.021207
"1012776"	206.092376	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2ACN+H"	83.060376
"1529808"	207.086008	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+IsoProp+Na+H"	84.054008
"999537"	103.549826	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+2ACN+2H"	84.067652
"1594040"	208.000628	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K+HCOOH"	84.968628
"1421887"	238.032138	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+H+CF3COOH"	115.000138
"1153270"	124.063101	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+3ACN+2H"	125.094202
"1703915"	255.058685	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+NH4+CF3COOH"	132.026685
"1640660"	260.01408	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+Na+CF3COOH"	136.98208
"1583967"	275.98802	"C10164"	"Picolinic acid;2-Pyridinecarboxylic acid"	"C6H5NO2"	"123.032"	"M+K+CF3COOH"	152.95602
"804492"	139.1361	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M"	0
"984588"	120.11771	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-H2O-H"	-19.01839
"62910"	91.750124	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M-3H"	-3.021828
"514579"	138.128824	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M-3H"	-3.021828
"891289"	45.371424	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-3H"	-3.021828
"9866"	138.128824	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M-2H"	-2.014552
"443959"	207.696874	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M-2H"	-2.014552
"822855"	68.560774	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-2H"	-2.014552
"86127"	277.264924	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M-H"	-1.007276
"528969"	416.401024	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M-H"	-1.007276
"902398"	138.128824	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-H"	-1.007276
"54586"	294.291471	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M-2H+NH4"	16.019271
"498520"	433.427571	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M-2H+NH4"	16.019271
"878877"	155.155371	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-2H+NH4"	16.019271
"46958"	299.246866	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M-2H+Na"	20.974666
"487001"	438.382966	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M-2H+Na"	20.974666
"864029"	160.110766	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-2H+Na"	20.974666
"1632221"	160.110766	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Na-2H"	20.974666
"108747"	156.117163	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M-H+Cl"	33.962126
"547214"	225.685213	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M-H+Cl"	33.962126
"938539"	86.549113	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-H+Cl"	33.962126
"281107"	313.241602	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+Cl"	34.969402
"675576"	452.377702	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+Cl"	34.969402
"1285204"	174.105502	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Cl"	34.969402
"30557"	315.220806	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M-2H+K"	36.948606
"462950"	454.356906	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M-2H+K"	36.948606
"840750"	176.084706	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-2H+K"	36.948606
"1560959"	176.084706	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+K-2H"	36.948606
"946655"	184.134294	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-H+HCOOH"	44.998194
"369245"	323.270401	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+HCOOH-H"	44.998201
"352035"	337.286051	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+Hac-H"	59.013851
"1501962"	198.149951	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Hac-H"	59.013851
"965128"	206.116251	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-H+NaCOOH"	66.980151
"111239"	174.105502	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+2Cl"	69.938804
"550433"	243.673552	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+2Cl"	69.938804
"1022030"	104.537452	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2Cl"	69.938804
"1242094"	218.054985	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Br"	78.918885
"1304661"	220.110972	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Cl+HCOOH"	80.974872
"1323015"	242.092929	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Cl+NaCOOH"	102.956829
"918448"	252.121686	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M-H+CF3COOH"	112.985586
"1289199"	288.098364	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Cl+CF3COOH"	148.962264
"1367562"	104.123424	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H-2H2O"	-35.012676
"1382772"	122.1334	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H-H2O"	-17.0027
"282963"	279.279476	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+H"	1.007276
"677091"	418.415576	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+H"	1.007276
"1353439"	140.143376	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H"	1.007276
"127418"	140.143376	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+2H"	2.014552
"567347"	209.711426	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+2H"	2.014552
"1038088"	70.575326	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2H"	2.014552
"211703"	93.764676	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+3H"	3.021828
"646889"	140.143376	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+3H"	3.021828
"1163556"	47.385976	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+3H"	3.021828
"428293"	296.306023	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+NH4"	18.033823
"786371"	435.442123	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+NH4"	18.033823
"1683068"	157.169923	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+NH4"	18.033823
"330618"	148.6566495	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+H+NH4"	19.041099
"732882"	218.2246995	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+H+NH4"	19.041099
"1488890"	79.0885995	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H+NH4"	19.041099
"407576"	301.261418	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+Na"	22.989218
"768576"	440.397518	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+Na"	22.989218
"1617650"	162.125318	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Na"	22.989218
"329386"	151.134347	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+H+Na"	23.996494
"722299"	220.702397	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+H+Na"	23.996494
"1473680"	81.566297	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H+Na"	23.996494
"1067863"	54.71329	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2H+Na"	25.00377
"1272625"	172.169586	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+CH3OH+H"	33.033486
"391921"	317.235358	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+K"	38.963158
"753525"	456.371458	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+K"	38.963158
"1555423"	178.099258	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+K"	38.963158
"312875"	159.121317	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+H+K"	39.970434
"706027"	228.689367	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+H+K"	39.970434
"1460983"	89.553267	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H+K"	39.970434
"251288"	320.306026	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+ACN+H"	42.033826
"1222612"	181.169926	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+ACN+H"	42.033826
"1206494"	91.088601	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+ACN+2H"	43.041102
"204209"	323.24336	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+2Na-H"	44.97116
"643425"	462.37946	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+2Na-H"	44.97116
"1138424"	184.10726	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2Na-H"	44.97116
"179528"	162.125318	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+2Na"	45.978436
"620183"	231.693368	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+2Na"	45.978436
"1126969"	92.557268	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2Na"	45.978436
"1402839"	62.040604	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H+2Na"	46.985712
"1434955"	186.148846	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H+HCOOH"	47.012746
"222098"	167.15834	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+3H2O+2H"	56.04448
"1515998"	200.20089	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+IsoProp+H"	61.06479
"420789"	170.112288	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+Na+K"	61.952376
"782148"	239.680338	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+Na+K"	61.952376
"1681168"	100.544238	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Na+K"	61.952376
"266839"	342.287968	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+ACN+Na"	64.015768
"1240520"	203.151868	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+ACN+Na"	64.015768
"1728341"	203.175393	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+NH4+HCOOH"	64.039293
"1193957"	69.367918	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+3Na"	68.967654
"1664891"	208.130788	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Na+HCOOH"	68.994688
"172773"	355.19124	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+2K-H"	76.91904
"612740"	494.32734	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+2K-H"	76.91904
"1099786"	216.05514	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2K-H"	76.91904
"157005"	178.099258	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"2M+2K"	77.926316
"596207"	247.667308	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"3M+2K"	77.926316
"1083150"	108.531208	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2K"	77.926316
"1110161"	218.069692	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2K+H"	78.933592
"1341078"	218.157307	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+DMSO+H"	79.021207
"1012886"	222.196476	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2ACN+H"	83.060376
"1529918"	223.190108	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+IsoProp+Na+H"	84.054008
"992356"	111.601876	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+2ACN+2H"	84.067652
"1594150"	224.104728	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+K+HCOOH"	84.968628
"1418716"	254.136238	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+H+CF3COOH"	115.000138
"1153380"	132.115151	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+3ACN+2H"	125.094202
"1704025"	271.162785	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+NH4+CF3COOH"	132.026685
"1640770"	276.11818	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+Na+CF3COOH"	136.98208
"1584077"	292.09212	"C10165"	"Pinidine;Piperidine 2-methyl-6-(1-propenyl)- (2R-(2alpha6alpha(E)))-;(-)-Pinidine"	"C9H17N"	"139.1361"	"M+K+CF3COOH"	152.95602
"805695"	317.1263	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M"	0
"981418"	298.10791	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-H2O-H"	-19.01839
"66380"	210.410257333333	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M-3H"	-3.021828
"511409"	316.119024	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M-3H"	-3.021828
"892492"	104.701490666667	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-3H"	-3.021828
"6696"	316.119024	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M-2H"	-2.014552
"444069"	474.682174	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M-2H"	-2.014552
"818589"	157.555874	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-2H"	-2.014552
"82955"	633.245324	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M-H"	-1.007276
"529080"	950.371624	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M-H"	-1.007276
"903601"	316.119024	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-H"	-1.007276
"57977"	650.271871	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M-2H+NH4"	16.019271
"495350"	967.398171	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M-2H+NH4"	16.019271
"876311"	333.145571	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-2H+NH4"	16.019271
"46606"	655.227266	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M-2H+Na"	20.974666
"487018"	972.353566	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M-2H+Na"	20.974666
"864166"	338.100966	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-2H+Na"	20.974666
"1633550"	338.100966	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Na-2H"	20.974666
"107764"	334.107363	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M-H+Cl"	33.962126
"548055"	492.670513	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M-H+Cl"	33.962126
"941202"	175.544213	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-H+Cl"	33.962126
"281217"	669.222002	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+Cl"	34.969402
"672909"	986.348302	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+Cl"	34.969402
"1284219"	352.095702	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Cl"	34.969402
"29695"	671.201206	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M-2H+K"	36.948606
"466340"	988.327506	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M-2H+K"	36.948606
"837581"	354.074906	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-2H+K"	36.948606
"1561068"	354.074906	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+K-2H"	36.948606
"950047"	362.124494	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-H+HCOOH"	44.998194
"366076"	679.250801	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+HCOOH-H"	44.998201
"351052"	693.266451	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+Hac-H"	59.013851
"1498062"	376.140151	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Hac-H"	59.013851
"961958"	384.106451	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-H+NaCOOH"	66.980151
"111959"	352.095702	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+2Cl"	69.938804
"551520"	510.658852	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+2Cl"	69.938804
"1021775"	193.532552	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2Cl"	69.938804
"1242806"	396.045185	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Br"	78.918885
"1310002"	398.101172	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Cl+HCOOH"	80.974872
"1326405"	420.083129	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Cl+NaCOOH"	102.956829
"918558"	430.111886	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M-H+CF3COOH"	112.985586
"1289798"	466.088564	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Cl+CF3COOH"	148.962264
"1370144"	282.113624	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H-2H2O"	-35.012676
"1383383"	300.1236	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H-H2O"	-17.0027
"283156"	635.259876	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+H"	1.007276
"676098"	952.386176	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+H"	1.007276
"1352821"	318.133576	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H"	1.007276
"126075"	318.133576	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+2H"	2.014552
"566120"	476.696726	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+2H"	2.014552
"1038441"	159.570426	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2H"	2.014552
"209626"	212.424809333333	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+3H"	3.021828
"648091"	318.133576	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+3H"	3.021828
"1164028"	106.716042666667	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+3H"	3.021828
"429496"	652.286423	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+NH4"	18.033823
"789401"	969.412723	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+NH4"	18.033823
"1682814"	335.160123	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+NH4"	18.033823
"335104"	326.6468495	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+H+NH4"	19.041099
"732992"	485.2099995	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+H+NH4"	19.041099
"1487907"	168.0836995	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H+NH4"	19.041099
"405498"	657.241818	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+Na"	22.989218
"768320"	974.368118	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+Na"	22.989218
"1617520"	340.115518	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Na"	22.989218
"327916"	329.124547	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+H+Na"	23.996494
"716326"	487.687697	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+H+Na"	23.996494
"1475860"	170.561397	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H+Na"	23.996494
"1067037"	114.043356666667	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2H+Na"	25.00377
"1272727"	350.159786	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+CH3OH+H"	33.033486
"391666"	673.215758	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+K"	38.963158
"752660"	990.342058	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+K"	38.963158
"1554596"	356.089458	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+K"	38.963158
"312989"	337.111517	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+H+K"	39.970434
"706544"	495.674667	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+H+K"	39.970434
"1458494"	178.548367	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H+K"	39.970434
"251280"	676.286426	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+ACN+H"	42.033826
"1223816"	359.160126	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+ACN+H"	42.033826
"1209406"	180.083701	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+ACN+2H"	43.041102
"202031"	679.22376	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+2Na-H"	44.97116
"643780"	996.35006	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+2Na-H"	44.97116
"1137443"	362.09746	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2Na-H"	44.97116
"180732"	340.115518	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+2Na"	45.978436
"623210"	498.678668	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+2Na"	45.978436
"1125986"	181.552368	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2Na"	45.978436
"1404043"	121.370670666667	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H+2Na"	46.985712
"1436159"	364.139046	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H+HCOOH"	47.012746
"226948"	345.14854	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+3H2O+2H"	56.04448
"1517202"	378.19109	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+IsoProp+H"	61.06479
"419078"	348.102488	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+Na+K"	61.952376
"779709"	506.665638	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+Na+K"	61.952376
"1680305"	189.539338	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Na+K"	61.952376
"266705"	698.268368	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+ACN+Na"	64.015768
"1240708"	381.142068	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+ACN+Na"	64.015768
"1727815"	381.165593	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+NH4+HCOOH"	64.039293
"1193167"	128.697984666667	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+3Na"	68.967654
"1665210"	386.120988	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Na+HCOOH"	68.994688
"172594"	711.17164	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+2K-H"	76.91904
"612723"	1028.29794	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+2K-H"	76.91904
"1099874"	394.04534	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2K-H"	76.91904
"156758"	356.089458	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"2M+2K"	77.926316
"593642"	514.652608	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"3M+2K"	77.926316
"1083260"	197.526308	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2K"	77.926316
"1112337"	396.059892	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2K+H"	78.933592
"1342281"	396.147507	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+DMSO+H"	79.021207
"1016277"	400.186676	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2ACN+H"	83.060376
"1528935"	401.180308	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+IsoProp+Na+H"	84.054008
"992830"	200.596976	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+2ACN+2H"	84.067652
"1593167"	402.094928	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+K+HCOOH"	84.968628
"1418097"	432.126438	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+H+CF3COOH"	115.000138
"1151304"	221.110251	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+3ACN+2H"	125.094202
"1703042"	449.152985	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+NH4+CF3COOH"	132.026685
"1639787"	454.10838	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+Na+CF3COOH"	136.98208
"1584187"	470.08232	"C10166"	"Piplartine;Piperlongumine"	"C17H19NO5"	"317.1263"	"M+K+CF3COOH"	152.95602
"805805"	313.2617	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M"	0
"981528"	294.24331	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-H2O-H"	-19.01839
"67583"	207.833857333333	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M-3H"	-3.021828
"511519"	312.254424	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M-3H"	-3.021828
"889322"	103.413290666667	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-3H"	-3.021828
"4619"	312.254424	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M-2H"	-2.014552
"444179"	468.885274	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M-2H"	-2.014552
"819792"	155.623574	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-2H"	-2.014552
"84158"	625.516124	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M-H"	-1.007276
"529190"	938.777824	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M-H"	-1.007276
"902617"	312.254424	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-H"	-1.007276
"58087"	642.542671	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M-2H+NH4"	16.019271
"496553"	955.804371	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M-2H+NH4"	16.019271
"874355"	329.280971	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-2H+NH4"	16.019271
"44080"	647.498066	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M-2H+Na"	20.974666
"485102"	960.759766	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M-2H+Na"	20.974666
"862177"	334.236366	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-2H+Na"	20.974666
"1634022"	334.236366	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Na-2H"	20.974666
"105320"	330.242763	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M-H+Cl"	33.962126
"545976"	486.873613	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M-H+Cl"	33.962126
"939125"	173.611913	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-H+Cl"	33.962126
"279504"	661.492802	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+Cl"	34.969402
"667551"	974.754502	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+Cl"	34.969402
"1284329"	348.231102	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Cl"	34.969402
"29443"	663.472006	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M-2H+K"	36.948606
"463170"	976.733706	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M-2H+K"	36.948606
"834411"	350.210306	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-2H+K"	36.948606
"1561178"	350.210306	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+K-2H"	36.948606
"949064"	358.259894	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-H+HCOOH"	44.998194
"368373"	671.521601	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+HCOOH-H"	44.998201
"350433"	685.537251	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+Hac-H"	59.013851
"1501088"	372.275551	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Hac-H"	59.013851
"962068"	380.241851	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-H+NaCOOH"	66.980151
"114255"	348.231102	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+2Cl"	69.938804
"550404"	504.861952	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+2Cl"	69.938804
"1021880"	191.600252	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2Cl"	69.938804
"1241662"	392.180585	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Br"	78.918885
"1306830"	394.236572	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Cl+HCOOH"	80.974872
"1324327"	416.218529	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Cl+NaCOOH"	102.956829
"918668"	426.247286	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M-H+CF3COOH"	112.985586
"1289906"	462.223964	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Cl+CF3COOH"	148.962264
"1368431"	278.249024	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H-2H2O"	-35.012676
"1383375"	296.259	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H-H2O"	-17.0027
"283307"	627.530676	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+H"	1.007276
"676453"	940.792376	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+H"	1.007276
"1352931"	314.268976	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H"	1.007276
"128372"	314.268976	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+2H"	2.014552
"570849"	470.899826	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+2H"	2.014552
"1041833"	157.638126	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2H"	2.014552
"208642"	209.848409333333	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+3H"	3.021828
"648565"	314.268976	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+3H"	3.021828
"1164501"	105.427842666667	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+3H"	3.021828
"426326"	644.557223	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+NH4"	18.033823
"787686"	957.818923	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+NH4"	18.033823
"1683287"	331.295523	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+NH4"	18.033823
"336307"	322.7822495	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+H+NH4"	19.041099
"725811"	479.4130995	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+H+NH4"	19.041099
"1488017"	166.1513995	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H+NH4"	19.041099
"400137"	649.512618	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+Na"	22.989218
"768430"	962.774318	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+Na"	22.989218
"1617509"	336.250918	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Na"	22.989218
"327662"	325.259947	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+H+Na"	23.996494
"716435"	481.890797	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+H+Na"	23.996494
"1473536"	168.629097	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H+Na"	23.996494
"1067147"	112.755156666667	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2H+Na"	25.00377
"1271991"	346.295186	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+CH3OH+H"	33.033486
"391775"	665.486558	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+K"	38.963158
"753873"	978.748258	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+K"	38.963158
"1554464"	352.224858	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+K"	38.963158
"313219"	333.246917	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+H+K"	39.970434
"706128"	489.877767	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+H+K"	39.970434
"1457148"	176.616067	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H+K"	39.970434
"250615"	668.557226	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+ACN+H"	42.033826
"1225270"	355.295526	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+ACN+H"	42.033826
"1209027"	178.151401	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+ACN+2H"	43.041102
"202505"	671.49456	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+2Na-H"	44.97116
"643891"	984.75626	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+2Na-H"	44.97116
"1139739"	358.23286	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2Na-H"	44.97116
"183028"	336.250918	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+2Na"	45.978436
"621497"	492.881768	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+2Na"	45.978436
"1123910"	179.620068	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2Na"	45.978436
"1406338"	120.082470666667	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H+2Na"	46.985712
"1435175"	360.274446	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H+HCOOH"	47.012746
"227058"	341.28394	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+3H2O+2H"	56.04448
"1518041"	374.32649	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+IsoProp+H"	61.06479
"420646"	344.237888	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+Na+K"	61.952376
"780912"	500.868738	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+Na+K"	61.952376
"1680945"	187.607038	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Na+K"	61.952376
"265602"	690.539168	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+ACN+Na"	64.015768
"1240739"	377.277468	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+ACN+Na"	64.015768
"1727886"	377.300993	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+NH4+HCOOH"	64.039293
"1192793"	127.409784666667	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+3Na"	68.967654
"1664628"	382.256388	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Na+HCOOH"	68.994688
"172341"	703.44244	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+2K-H"	76.91904
"612672"	1016.70414	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+2K-H"	76.91904
"1099777"	390.18074	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2K-H"	76.91904
"156909"	352.224858	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"2M+2K"	77.926316
"593752"	508.855708	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"3M+2K"	77.926316
"1083858"	195.594008	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2K"	77.926316
"1111475"	392.195292	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2K+H"	78.933592
"1342391"	392.282907	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+DMSO+H"	79.021207
"1016387"	396.322076	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2ACN+H"	83.060376
"1529045"	397.315708	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+IsoProp+Na+H"	84.054008
"992212"	198.664676	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+2ACN+2H"	84.067652
"1593277"	398.230328	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+K+HCOOH"	84.968628
"1417113"	428.261838	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+H+CF3COOH"	115.000138
"1151414"	219.177951	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+3ACN+2H"	125.094202
"1703152"	445.288385	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+NH4+CF3COOH"	132.026685
"1639897"	450.24378	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+Na+CF3COOH"	136.98208
"1584297"	466.21772	"C10167"	"()-Prosopinine"	"C18H35NO3"	"313.2617"	"M+K+CF3COOH"	152.95602
"804822"	143.131	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M"	0
"981638"	124.11261	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-H2O-H"	-19.01839
"67693"	94.4133906666667	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M-3H"	-3.021828
"511629"	142.123724	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M-3H"	-3.021828
"889432"	46.7030573333333	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-3H"	-3.021828
"5821"	142.123724	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M-2H"	-2.014552
"444289"	213.689224	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M-2H"	-2.014552
"819173"	70.558224	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-2H"	-2.014552
"85361"	285.254724	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M-H"	-1.007276
"530393"	428.385724	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M-H"	-1.007276
"906006"	142.123724	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-H"	-1.007276
"62294"	302.281271	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M-2H+NH4"	16.019271
"501771"	445.412271	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M-2H+NH4"	16.019271
"874464"	159.150271	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-2H+NH4"	16.019271
"44552"	307.236666	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M-2H+Na"	20.974666
"486715"	450.367666	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M-2H+Na"	20.974666
"863505"	164.105666	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-2H+Na"	20.974666
"1633401"	164.105666	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Na-2H"	20.974666
"105429"	160.112063	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M-H+Cl"	33.962126
"546448"	231.677563	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M-H+Cl"	33.962126
"937775"	88.546563	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-H+Cl"	33.962126
"275239"	321.231402	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+Cl"	34.969402
"670941"	464.362402	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+Cl"	34.969402
"1287355"	178.100402	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Cl"	34.969402
"25904"	323.210606	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M-2H+K"	36.948606
"463278"	466.341606	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M-2H+K"	36.948606
"834033"	180.079606	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-2H+K"	36.948606
"1558007"	180.079606	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+K-2H"	36.948606
"949174"	188.129194	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-H+HCOOH"	44.998194
"370669"	331.260201	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+HCOOH-H"	44.998201
"352365"	345.275851	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+Hac-H"	59.013851
"1499010"	202.144851	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Hac-H"	59.013851
"962178"	210.111151	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-H+NaCOOH"	66.980151
"110594"	178.100402	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+2Cl"	69.938804
"550274"	249.665902	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+2Cl"	69.938804
"1022602"	106.534902	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2Cl"	69.938804
"1242668"	222.049885	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Br"	78.918885
"1305481"	224.105872	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Cl+HCOOH"	80.974872
"1323343"	246.087829	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Cl+NaCOOH"	102.956829
"912211"	256.116586	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M-H+CF3COOH"	112.985586
"1289039"	292.093264	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Cl+CF3COOH"	148.962264
"1368176"	108.118324	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H-2H2O"	-35.012676
"1384216"	126.1283	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H-H2O"	-17.0027
"283126"	287.269276	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+H"	1.007276
"676082"	430.400276	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+H"	1.007276
"1351948"	144.138276	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H"	1.007276
"130304"	144.138276	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+2H"	2.014552
"571322"	215.703776	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+2H"	2.014552
"1046318"	72.572776	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2H"	2.014552
"210208"	96.4279426666667	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+3H"	3.021828
"650860"	144.138276	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+3H"	3.021828
"1164246"	48.7176093333333	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+3H"	3.021828
"427894"	304.295823	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+NH4"	18.033823
"788527"	447.426823	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+NH4"	18.033823
"1684492"	161.164823	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+NH4"	18.033823
"339697"	152.6515495	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+H+NH4"	19.041099
"725556"	224.2170495	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+H+NH4"	19.041099
"1490313"	81.0860495	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H+NH4"	19.041099
"401340"	309.251218	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+Na"	22.989218
"766714"	452.382218	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+Na"	22.989218
"1617863"	166.120218	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Na"	22.989218
"327774"	155.129247	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+H+Na"	23.996494
"720559"	226.694747	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+H+Na"	23.996494
"1476163"	83.563747	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H+Na"	23.996494
"1068448"	56.0449233333333	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2H+Na"	25.00377
"1270394"	176.164486	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+CH3OH+H"	33.033486
"391765"	325.225158	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+K"	38.963158
"754158"	468.356158	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+K"	38.963158
"1554328"	182.094158	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+K"	38.963158
"314227"	163.116217	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+H+K"	39.970434
"706476"	234.681717	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+H+K"	39.970434
"1457622"	91.550717	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H+K"	39.970434
"249505"	328.295826	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+ACN+H"	42.033826
"1224401"	185.164826	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+ACN+H"	42.033826
"1209013"	93.086051	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+ACN+2H"	43.041102
"203467"	331.23316	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+2Na-H"	44.97116
"643636"	474.36416	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+2Na-H"	44.97116
"1145928"	188.10216	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2Na-H"	44.97116
"188006"	166.120218	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+2Na"	45.978436
"626345"	237.685718	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+2Na"	45.978436
"1124015"	94.554718	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2Na"	45.978436
"1406447"	63.3722373333333	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H+2Na"	46.985712
"1438563"	190.143746	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H+HCOOH"	47.012746
"228261"	171.15324	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+3H2O+2H"	56.04448
"1517418"	204.19579	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+IsoProp+H"	61.06479
"419661"	174.107188	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+Na+K"	61.952376
"779925"	245.672688	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+Na+K"	61.952376
"1680645"	102.541688	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Na+K"	61.952376
"266680"	350.277768	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+ACN+Na"	64.015768
"1240364"	207.146768	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+ACN+Na"	64.015768
"1727669"	207.170293	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+NH4+HCOOH"	64.039293
"1192172"	70.6995513333333	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+3Na"	68.967654
"1663644"	212.125688	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Na+HCOOH"	68.994688
"171233"	363.18104	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+2K-H"	76.91904
"611158"	506.31204	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+2K-H"	76.91904
"1099193"	220.05004	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2K-H"	76.91904
"156374"	182.094158	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"2M+2K"	77.926316
"593863"	253.659658	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"3M+2K"	77.926316
"1083239"	110.528658	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2K"	77.926316
"1114503"	222.064592	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2K+H"	78.933592
"1345782"	222.152207	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+DMSO+H"	79.021207
"1015404"	226.191376	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2ACN+H"	83.060376
"1529155"	227.185008	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+IsoProp+Na+H"	84.054008
"990742"	113.599326	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+2ACN+2H"	84.067652
"1593387"	228.099628	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+K+HCOOH"	84.968628
"1416130"	258.131138	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+H+CF3COOH"	115.000138
"1151524"	134.112601	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+3ACN+2H"	125.094202
"1702169"	275.157685	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+NH4+CF3COOH"	132.026685
"1637820"	280.11308	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+Na+CF3COOH"	136.98208
"1584407"	296.08702	"C10168"	"Pseudoconhydrine"	"C8H17NO"	"143.131"	"M+K+CF3COOH"	152.95602
"808212"	249.1365	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M"	0
"978467"	230.11811	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-H2O-H"	-19.01839
"62888"	165.083724	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M-3H"	-3.021828
"506268"	248.129224	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M-3H"	-3.021828
"886257"	82.038224	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-3H"	-3.021828
"10301"	248.129224	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M-2H"	-2.014552
"441480"	372.697474	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M-2H"	-2.014552
"819284"	123.560974	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-2H"	-2.014552
"82192"	497.265724	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M-H"	-1.007276
"530503"	746.402224	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M-H"	-1.007276
"902837"	248.129224	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-H"	-1.007276
"62322"	514.292271	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M-2H+NH4"	16.019271
"497868"	763.428771	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M-2H+NH4"	16.019271
"874574"	265.155771	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-2H+NH4"	16.019271
"44298"	519.247666	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M-2H+Na"	20.974666
"485927"	768.384166	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M-2H+Na"	20.974666
"863002"	270.111166	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-2H+Na"	20.974666
"1634109"	270.111166	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Na-2H"	20.974666
"101530"	266.117563	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M-H+Cl"	33.962126
"546558"	390.685813	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M-H+Cl"	33.962126
"936792"	141.549313	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-H+Cl"	33.962126
"274256"	533.242402	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+Cl"	34.969402
"667771"	782.378902	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+Cl"	34.969402
"1286736"	284.105902	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Cl"	34.969402
"26014"	535.221606	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M-2H+K"	36.948606
"463388"	784.358106	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M-2H+K"	36.948606
"835723"	286.085106	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-2H+K"	36.948606
"1558481"	286.085106	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+K-2H"	36.948606
"948191"	294.134694	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-H+HCOOH"	44.998194
"368592"	543.271201	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+HCOOH-H"	44.998201
"352475"	557.286851	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+Hac-H"	59.013851
"1496568"	308.150351	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Hac-H"	59.013851
"963016"	316.116651	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-H+NaCOOH"	66.980151
"110585"	284.105902	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+2Cl"	69.938804
"550384"	408.674152	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+2Cl"	69.938804
"1022470"	159.537652	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2Cl"	69.938804
"1243508"	328.055385	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Br"	78.918885
"1305227"	330.111372	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Cl+HCOOH"	80.974872
"1324546"	352.093329	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Cl+NaCOOH"	102.956829
"912687"	362.122086	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M-H+CF3COOH"	112.985586
"1290124"	398.098764	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Cl+CF3COOH"	148.962264
"1369381"	214.123824	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H-2H2O"	-35.012676
"1383599"	232.1338	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H-H2O"	-17.0027
"284014"	499.280276	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+H"	1.007276
"680080"	748.416776	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+H"	1.007276
"1353149"	250.143776	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H"	1.007276
"131505"	250.143776	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+2H"	2.014552
"573618"	374.712026	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+2H"	2.014552
"1046428"	125.575526	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2H"	2.014552
"212141"	167.098276	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+3H"	3.021828
"653886"	250.143776	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+3H"	3.021828
"1165085"	84.052776	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+3H"	3.021828
"429098"	516.306823	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+NH4"	18.033823
"790094"	765.443323	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+NH4"	18.033823
"1684602"	267.170323	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+NH4"	18.033823
"339807"	258.6570495	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+H+NH4"	19.041099
"726395"	383.2252995	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+H+NH4"	19.041099
"1480582"	134.0887995	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H+NH4"	19.041099
"400357"	521.262218	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+Na"	22.989218
"767553"	770.398718	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+Na"	22.989218
"1617933"	272.125718	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Na"	22.989218
"327155"	261.134747	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+H+Na"	23.996494
"720302"	385.702997	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+H+Na"	23.996494
"1476190"	136.566497	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H+Na"	23.996494
"1066640"	91.38009	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2H+Na"	25.00377
"1269411"	282.169986	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+CH3OH+H"	33.033486
"392361"	537.236158	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+K"	38.963158
"753718"	786.372658	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+K"	38.963158
"1553587"	288.099658	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+K"	38.963158
"314005"	269.121717	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+H+K"	39.970434
"706871"	393.689967	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+H+K"	39.970434
"1457366"	144.553467	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H+K"	39.970434
"249614"	540.306826	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+ACN+H"	42.033826
"1223052"	291.170326	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+ACN+H"	42.033826
"1206935"	146.088801	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+ACN+2H"	43.041102
"201265"	543.24416	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+2Na-H"	44.97116
"643501"	792.38066	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+2Na-H"	44.97116
"1146037"	294.10766	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2Na-H"	44.97116
"187503"	272.125718	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+2Na"	45.978436
"626696"	396.693968	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+2Na"	45.978436
"1121938"	147.557468	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2Na"	45.978436
"1405464"	98.707404	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H+2Na"	46.985712
"1437580"	296.149246	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H+HCOOH"	47.012746
"226185"	277.15874	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+3H2O+2H"	56.04448
"1515342"	310.20129	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+IsoProp+H"	61.06479
"419770"	280.112688	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+Na+K"	61.952376
"779306"	404.680938	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+Na+K"	61.952376
"1680879"	155.544438	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Na+K"	61.952376
"267038"	562.288768	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+ACN+Na"	64.015768
"1241207"	313.152268	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+ACN+Na"	64.015768
"1728266"	313.175793	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+NH4+HCOOH"	64.039293
"1194070"	106.034718	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+3Na"	68.967654
"1665499"	318.131188	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Na+HCOOH"	68.994688
"172358"	575.19204	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+2K-H"	76.91904
"612121"	824.32854	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+2K-H"	76.91904
"1099629"	326.05554	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2K-H"	76.91904
"157019"	288.099658	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"2M+2K"	77.926316
"591785"	412.667908	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"3M+2K"	77.926316
"1083469"	163.531408	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2K"	77.926316
"1114734"	328.070092	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2K+H"	78.933592
"1346985"	328.157707	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+DMSO+H"	79.021207
"1015514"	332.196876	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2ACN+H"	83.060376
"1529265"	333.190508	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+IsoProp+Na+H"	84.054008
"992433"	166.602076	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+2ACN+2H"	84.067652
"1593497"	334.105128	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+K+HCOOH"	84.968628
"1416240"	364.136638	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+H+CF3COOH"	115.000138
"1151634"	187.115351	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+3ACN+2H"	125.094202
"1702279"	381.163185	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+NH4+CF3COOH"	132.026685
"1640117"	386.11858	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+Na+CF3COOH"	136.98208
"1584517"	402.09252	"C10169"	"Ruspolinone"	"C14H19NO3"	"249.1365"	"M+K+CF3COOH"	152.95602
"806135"	592.3777	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M"	0
"978577"	573.35931	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-H2O-H"	-19.01839
"63660"	393.911190666667	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M-3H"	-3.021828
"506378"	591.370424	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M-3H"	-3.021828
"883087"	196.451957333333	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-3H"	-3.021828
"11504"	591.370424	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M-2H"	-2.014552
"443412"	887.559274	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M-2H"	-2.014552
"821216"	295.181574	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-2H"	-2.014552
"82302"	1183.748124	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M-H"	-1.007276
"530613"	1776.125824	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M-H"	-1.007276
"902947"	591.370424	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-H"	-1.007276
"60239"	1200.774671	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M-2H+NH4"	16.019271
"499070"	1793.152371	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M-2H+NH4"	16.019271
"874683"	608.396971	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-2H+NH4"	16.019271
"45505"	1205.730066	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M-2H+Na"	20.974666
"484335"	1798.107766	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M-2H+Na"	20.974666
"861774"	613.352366	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-2H+Na"	20.974666
"1632404"	613.352366	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Na-2H"	20.974666
"104920"	609.358763	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M-H+Cl"	33.962126
"537919"	905.547613	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M-H+Cl"	33.962126
"929246"	313.169913	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-H+Cl"	33.962126
"268898"	1219.724802	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+Cl"	34.969402
"668974"	1812.102502	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+Cl"	34.969402
"1284658"	627.347102	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Cl"	34.969402
"26124"	1221.704006	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M-2H+K"	36.948606
"463498"	1814.081706	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M-2H+K"	36.948606
"836926"	629.326306	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-2H+K"	36.948606
"1558227"	629.326306	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+K-2H"	36.948606
"949394"	637.375894	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-H+HCOOH"	44.998194
"368702"	1229.753601	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+HCOOH-H"	44.998201
"352585"	1243.769251	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+Hac-H"	59.013851
"1498136"	651.391551	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Hac-H"	59.013851
"962398"	659.357851	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-H+NaCOOH"	66.980151
"112031"	627.347102	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+2Cl"	69.938804
"550860"	923.535952	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+2Cl"	69.938804
"1022580"	331.158252	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2Cl"	69.938804
"1245805"	671.296585	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Br"	78.918885
"1306065"	673.352572	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Cl+HCOOH"	80.974872
"1321740"	695.334529	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Cl+NaCOOH"	102.956829
"913526"	705.363286	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M-H+CF3COOH"	112.985586
"1289870"	741.339964	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Cl+CF3COOH"	148.962264
"1370585"	557.365024	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H-2H2O"	-35.012676
"1383708"	575.375	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H-H2O"	-17.0027
"284489"	1185.762676	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+H"	1.007276
"680190"	1778.140376	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+H"	1.007276
"1354353"	593.384976	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H"	1.007276
"133802"	593.384976	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+2H"	2.014552
"575550"	889.573826	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+2H"	2.014552
"1049818"	297.196126	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2H"	2.014552
"216625"	395.925742666667	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+3H"	3.021828
"651809"	593.384976	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+3H"	3.021828
"1165924"	198.466509333333	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+3H"	3.021828
"428844"	1202.789223	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+NH4"	18.033823
"788747"	1795.166923	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+NH4"	18.033823
"1683984"	610.411523	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+NH4"	18.033823
"338824"	601.8982495	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+H+NH4"	19.041099
"724683"	898.0870995	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+H+NH4"	19.041099
"1481785"	305.7093995	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H+NH4"	19.041099
"400467"	1207.744618	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+Na"	22.989218
"766934"	1800.122318	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+Na"	22.989218
"1618204"	615.366918	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Na"	22.989218
"326174"	604.375947	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+H+Na"	23.996494
"722438"	900.564797	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+H+Na"	23.996494
"1476421"	308.187097	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H+Na"	23.996494
"1067479"	205.793823333333	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2H+Na"	25.00377
"1269521"	625.411186	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+CH3OH+H"	33.033486
"391011"	1223.718558	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+K"	38.963158
"753464"	1816.096258	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+K"	38.963158
"1553697"	631.340858	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+K"	38.963158
"313424"	612.362917	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+H+K"	39.970434
"704022"	908.551767	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+H+K"	39.970434
"1455653"	316.174067	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H+K"	39.970434
"249360"	1226.789226	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+ACN+H"	42.033826
"1223162"	634.411526	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+ACN+H"	42.033826
"1207045"	317.709401	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+ACN+2H"	43.041102
"198094"	1229.72656	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+2Na-H"	44.97116
"643128"	1822.10426	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+2Na-H"	44.97116
"1145051"	637.34886	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2Na-H"	44.97116
"183359"	615.366918	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+2Na"	45.978436
"621825"	911.555768	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+2Na"	45.978436
"1120226"	319.178068	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2Na"	45.978436
"1404481"	213.121137333333	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H+2Na"	46.985712
"1434406"	639.390446	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H+HCOOH"	47.012746
"226295"	620.39994	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+3H2O+2H"	56.04448
"1515452"	653.44249	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+IsoProp+H"	61.06479
"418421"	623.353888	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+Na+K"	61.952376
"773947"	919.542738	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+Na+K"	61.952376
"1681148"	327.165038	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Na+K"	61.952376
"267030"	1248.771168	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+ACN+Na"	64.015768
"1241322"	656.393468	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+ACN+Na"	64.015768
"1728296"	656.416993	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+NH4+HCOOH"	64.039293
"1193778"	220.448451333333	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+3Na"	68.967654
"1665285"	661.372388	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Na+HCOOH"	68.994688
"172599"	1261.67444	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+2K-H"	76.91904
"612229"	1854.05214	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+2K-H"	76.91904
"1099880"	669.29674	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2K-H"	76.91904
"156877"	631.340858	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"2M+2K"	77.926316
"592988"	927.529708	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"3M+2K"	77.926316
"1083782"	335.152008	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2K"	77.926316
"1113992"	671.311292	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2K+H"	78.933592
"1346001"	671.398907	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+DMSO+H"	79.021207
"1015624"	675.438076	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2ACN+H"	83.060376
"1529375"	676.431708	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+IsoProp+Na+H"	84.054008
"995823"	338.222676	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+2ACN+2H"	84.067652
"1590327"	677.346328	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+K+HCOOH"	84.968628
"1419266"	707.377838	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+H+CF3COOH"	115.000138
"1148828"	358.735951	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+3ACN+2H"	125.094202
"1702389"	724.404385	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+NH4+CF3COOH"	132.026685
"1638040"	729.35978	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+Na+CF3COOH"	136.98208
"1584627"	745.33372	"C10170"	"Santiaguine"	"C38H48N4O2"	"592.3777"	"M+K+CF3COOH"	152.95602
"808432"	219.1623	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M"	0
"978687"	200.14391	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-H2O-H"	-19.01839
"63648"	145.100924	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M-3H"	-3.021828
"509768"	218.155024	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M-3H"	-3.021828
"886477"	72.046824	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-3H"	-3.021828
"12708"	218.155024	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M-2H"	-2.014552
"448989"	327.736174	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M-2H"	-2.014552
"821327"	108.573874	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-2H"	-2.014552
"84597"	437.317324	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M-H"	-1.007276
"529630"	656.479624	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M-H"	-1.007276
"903055"	218.155024	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-H"	-1.007276
"56338"	454.343871	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M-2H+NH4"	16.019271
"495899"	673.506171	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M-2H+NH4"	16.019271
"871512"	235.181571	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-2H+NH4"	16.019271
"39413"	459.299266	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M-2H+Na"	20.974666
"484811"	678.461566	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M-2H+Na"	20.974666
"861399"	240.136966	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-2H+Na"	20.974666
"1632757"	240.136966	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Na-2H"	20.974666
"102843"	236.143363	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M-H+Cl"	33.962126
"540214"	345.724513	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M-H+Cl"	33.962126
"937008"	126.562213	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-H+Cl"	33.962126
"269733"	473.294002	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+Cl"	34.969402
"662522"	692.456302	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+Cl"	34.969402
"1276020"	254.131702	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Cl"	34.969402
"28786"	475.273206	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M-2H+K"	36.948606
"462515"	694.435506	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M-2H+K"	36.948606
"837036"	256.110906	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-2H+K"	36.948606
"1555905"	256.110906	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+K-2H"	36.948606
"951690"	264.160494	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-H+HCOOH"	44.998194
"368812"	483.322801	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+HCOOH-H"	44.998201
"350508"	497.338451	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+Hac-H"	59.013851
"1497153"	278.176151	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Hac-H"	59.013851
"962508"	286.142451	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-H+NaCOOH"	66.980151
"112141"	254.131702	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+2Cl"	69.938804
"551335"	363.712852	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+2Cl"	69.938804
"1023419"	144.550552	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2Cl"	69.938804
"1244822"	298.081185	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Br"	78.918885
"1305446"	300.137172	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Cl+HCOOH"	80.974872
"1322579"	322.119129	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Cl+NaCOOH"	102.956829
"914365"	332.147886	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M-H+CF3COOH"	112.985586
"1289980"	368.124564	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Cl+CF3COOH"	148.962264
"1369599"	184.149624	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H-2H2O"	-35.012676
"1386006"	202.1596	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H-H2O"	-17.0027
"287879"	439.331876	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+H"	1.007276
"682487"	658.494176	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+H"	1.007276
"1353733"	220.169576	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H"	1.007276
"133912"	220.169576	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+2H"	2.014552
"574565"	329.750726	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+2H"	2.014552
"1049927"	110.588426	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2H"	2.014552
"214548"	147.115476	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+3H"	3.021828
"653376"	220.169576	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+3H"	3.021828
"1165308"	74.061376	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+3H"	3.021828
"430047"	456.358423	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+NH4"	18.033823
"791043"	675.520723	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+NH4"	18.033823
"1683729"	237.196123	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+NH4"	18.033823
"335650"	228.6828495	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+H+NH4"	19.041099
"725887"	338.2639995	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+H+NH4"	19.041099
"1480797"	119.1016995	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H+NH4"	19.041099
"400577"	461.313818	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+Na"	22.989218
"766316"	680.476118	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+Na"	22.989218
"1614060"	242.151518	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Na"	22.989218
"327012"	231.160547	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+H+Na"	23.996494
"720525"	340.741697	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+H+Na"	23.996494
"1473980"	121.579397	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H+Na"	23.996494
"1066496"	81.38869	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2H+Na"	25.00377
"1268537"	252.195786	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+CH3OH+H"	33.033486
"389665"	477.287758	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+K"	38.963158
"751386"	696.450058	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+K"	38.963158
"1552715"	258.125458	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+K"	38.963158
"313293"	239.147517	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+H+K"	39.970434
"702675"	348.728667	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+H+K"	39.970434
"1454670"	129.566367	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H+K"	39.970434
"249470"	480.358426	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+ACN+H"	42.033826
"1224247"	261.196126	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+ACN+H"	42.033826
"1209754"	131.101701	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+ACN+2H"	43.041102
"198204"	483.29576	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+2Na-H"	44.97116
"642870"	702.45806	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+2Na-H"	44.97116
"1145647"	264.13346	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2Na-H"	44.97116
"186630"	242.151518	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+2Na"	45.978436
"625460"	351.732668	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+2Na"	45.978436
"1127262"	132.570368	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2Na"	45.978436
"1404591"	88.716004	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H+2Na"	46.985712
"1434520"	266.175046	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H+HCOOH"	47.012746
"227498"	247.18454	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+3H2O+2H"	56.04448
"1515562"	280.22709	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+IsoProp+H"	61.06479
"417437"	250.138488	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+Na+K"	61.952376
"772964"	359.719638	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+Na+K"	61.952376
"1680981"	140.557338	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Na+K"	61.952376
"266978"	502.340368	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+ACN+Na"	64.015768
"1240447"	283.178068	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+ACN+Na"	64.015768
"1727266"	283.201593	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+NH4+HCOOH"	64.039293
"1193836"	96.043318	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+3Na"	68.967654
"1665188"	288.156988	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Na+HCOOH"	68.994688
"172663"	515.24364	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+2K-H"	76.91904
"612629"	734.40594	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+2K-H"	76.91904
"1098913"	296.08134	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2K-H"	76.91904
"155850"	258.125458	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"2M+2K"	77.926316
"593098"	367.706608	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"3M+2K"	77.926316
"1083447"	148.544308	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2K"	77.926316
"1114103"	298.095892	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2K+H"	78.933592
"1349391"	298.183507	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+DMSO+H"	79.021207
"1015734"	302.222676	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2ACN+H"	83.060376
"1528391"	303.216308	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+IsoProp+Na+H"	84.054008
"993746"	151.614976	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+2ACN+2H"	84.067652
"1590437"	304.130928	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+K+HCOOH"	84.968628
"1420469"	334.162438	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+H+CF3COOH"	115.000138
"1148574"	172.128251	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+3ACN+2H"	125.094202
"1702499"	351.188985	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+NH4+CF3COOH"	132.026685
"1640337"	356.14438	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+Na+CF3COOH"	136.98208
"1584737"	372.11832	"C10171"	"(-)-Sedamine"	"C14H21NO"	"219.1623"	"M+K+CF3COOH"	152.95602
"805262"	143.0946	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M"	0
"979890"	124.07621	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-H2O-H"	-19.01839
"64001"	94.389124	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M-3H"	-3.021828
"510972"	142.087324	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M-3H"	-3.021828
"886587"	46.690924	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-3H"	-3.021828
"12818"	142.087324	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M-2H"	-2.014552
"451286"	213.634624	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M-2H"	-2.014552
"822530"	70.540024	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-2H"	-2.014552
"84708"	285.181924	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M-H"	-1.007276
"527554"	428.276524	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M-H"	-1.007276
"903165"	142.087324	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-H"	-1.007276
"56448"	302.208471	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M-2H+NH4"	16.019271
"494915"	445.303071	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M-2H+NH4"	16.019271
"870528"	159.113871	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-2H+NH4"	16.019271
"39523"	307.163866	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M-2H+Na"	20.974666
"483826"	450.258466	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M-2H+Na"	20.974666
"860172"	164.069266	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-2H+Na"	20.974666
"1627519"	164.069266	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Na-2H"	20.974666
"101859"	160.075663	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M-H+Cl"	33.962126
"542510"	231.622963	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M-H+Cl"	33.962126
"936024"	88.528363	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-H+Cl"	33.962126
"270209"	321.158602	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+Cl"	34.969402
"661658"	464.253202	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+Cl"	34.969402
"1273334"	178.064002	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Cl"	34.969402
"25251"	323.137806	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M-2H+K"	36.948606
"459344"	466.232406	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M-2H+K"	36.948606
"833866"	180.043206	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-2H+K"	36.948606
"1557354"	180.043206	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+K-2H"	36.948606
"951800"	188.092794	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-H+HCOOH"	44.998194
"367829"	331.187401	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+HCOOH-H"	44.998201
"349525"	345.203051	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+Hac-H"	59.013851
"1496170"	202.108451	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Hac-H"	59.013851
"965898"	210.074751	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-H+NaCOOH"	66.980151
"112251"	178.064002	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+2Cl"	69.938804
"552174"	249.611302	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+2Cl"	69.938804
"1022436"	106.516702	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2Cl"	69.938804
"1247118"	222.013485	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Br"	78.918885
"1305920"	224.069472	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Cl+HCOOH"	80.974872
"1325970"	246.051429	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Cl+NaCOOH"	102.956829
"915934"	256.080186	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M-H+CF3COOH"	112.985586
"1290090"	292.056864	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Cl+CF3COOH"	148.962264
"1369710"	108.081924	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H-2H2O"	-35.012676
"1387210"	126.0919	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H-H2O"	-17.0027
"289083"	287.196476	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+H"	1.007276
"684784"	430.291076	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+H"	1.007276
"1361134"	144.101876	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H"	1.007276
"130741"	144.101876	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+2H"	2.014552
"573582"	215.649176	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+2H"	2.014552
"1046756"	72.554576	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2H"	2.014552
"215751"	96.403676	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+3H"	3.021828
"652029"	144.101876	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+3H"	3.021828
"1167970"	48.705476	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+3H"	3.021828
"429062"	304.223023	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+NH4"	18.033823
"788964"	447.317623	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+NH4"	18.033823
"1687483"	161.128423	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+NH4"	18.033823
"335761"	152.6151495	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+H+NH4"	19.041099
"728182"	224.1624495	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+H+NH4"	19.041099
"1479084"	81.0678495	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H+NH4"	19.041099
"400687"	309.178418	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+Na"	22.989218
"766790"	452.273018	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+Na"	22.989218
"1613441"	166.083818	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Na"	22.989218
"326029"	155.092847	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+H+Na"	23.996494
"720149"	226.640147	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+H+Na"	23.996494
"1472630"	83.545547	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H+Na"	23.996494
"1065511"	56.03279	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2H+Na"	25.00377
"1269376"	176.128086	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+CH3OH+H"	33.033486
"390140"	325.152358	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+K"	38.963158
"749308"	468.246958	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+K"	38.963158
"1552460"	182.057758	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+K"	38.963158
"311822"	163.079817	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+H+K"	39.970434
"703150"	234.627117	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+H+K"	39.970434
"1453687"	91.532517	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H+K"	39.970434
"249944"	328.223026	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+ACN+H"	42.033826
"1224477"	185.128426	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+ACN+H"	42.033826
"1209417"	93.067851	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+ACN+2H"	43.041102
"199773"	331.16036	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+2Na-H"	44.97116
"643347"	474.25496	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+2Na-H"	44.97116
"1145878"	188.06576	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2Na-H"	44.97116
"186496"	166.083818	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+2Na"	45.978436
"625934"	237.631118	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+2Na"	45.978436
"1126279"	94.536518	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2Na"	45.978436
"1404701"	63.360104	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H+2Na"	46.985712
"1432807"	190.107346	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H+HCOOH"	47.012746
"228702"	171.11684	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+3H2O+2H"	56.04448
"1516766"	204.15939	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+IsoProp+H"	61.06479
"415359"	174.070788	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+Na+K"	61.952376
"776355"	245.618088	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+Na+K"	61.952376
"1680971"	102.523488	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Na+K"	61.952376
"266962"	350.204968	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+ACN+Na"	64.015768
"1240803"	207.110368	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+ACN+Na"	64.015768
"1727255"	207.133893	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+NH4+HCOOH"	64.039293
"1193825"	70.687418	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+3Na"	68.967654
"1664325"	212.089288	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Na+HCOOH"	68.994688
"172687"	363.10824	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+2K-H"	76.91904
"612535"	506.20284	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+2K-H"	76.91904
"1099145"	220.01364	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2K-H"	76.91904
"155959"	182.057758	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"2M+2K"	77.926316
"593207"	253.605058	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"3M+2K"	77.926316
"1082095"	110.510458	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2K"	77.926316
"1113971"	222.028192	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2K+H"	78.933592
"1344032"	222.115807	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+DMSO+H"	79.021207
"1012564"	226.154976	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2ACN+H"	83.060376
"1527407"	227.148608	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+IsoProp+Na+H"	84.054008
"992762"	113.581126	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+2ACN+2H"	84.067652
"1592733"	228.063228	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+K+HCOOH"	84.968628
"1420579"	258.094738	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+H+CF3COOH"	115.000138
"1149048"	134.094401	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+3ACN+2H"	125.094202
"1702609"	275.121285	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+NH4+CF3COOH"	132.026685
"1640447"	280.07668	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+Na+CF3COOH"	136.98208
"1584847"	296.05062	"C10172"	"Stachydrine;Proline betaine"	"C7H13NO2"	"143.0946"	"M+K+CF3COOH"	152.95602
"805372"	173.1052	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M"	0
"982188"	154.08681	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-H2O-H"	-19.01839
"66056"	114.396190666667	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M-3H"	-3.021828
"506708"	172.097924	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M-3H"	-3.021828
"886697"	56.6944573333333	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-3H"	-3.021828
"15691"	172.097924	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M-2H"	-2.014552
"443016"	258.650524	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M-2H"	-2.014552
"824827"	85.545324	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-2H"	-2.014552
"83725"	345.203124	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M-H"	-1.007276
"528757"	518.308324	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M-H"	-1.007276
"903275"	172.097924	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-H"	-1.007276
"57651"	362.229671	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M-2H+NH4"	16.019271
"495025"	535.334871	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M-2H+NH4"	16.019271
"872825"	189.124471	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-2H+NH4"	16.019271
"44006"	367.185066	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M-2H+Na"	20.974666
"483936"	540.290266	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M-2H+Na"	20.974666
"859918"	194.079866	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-2H+Na"	20.974666
"1627629"	194.079866	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Na-2H"	20.974666
"103062"	190.086263	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M-H+Cl"	33.962126
"543713"	276.638863	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M-H+Cl"	33.962126
"939414"	103.533663	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-H+Cl"	33.962126
"273599"	381.179802	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+Cl"	34.969402
"663104"	554.285002	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+Cl"	34.969402
"1276240"	208.074602	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Cl"	34.969402
"28641"	383.159006	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M-2H+K"	36.948606
"458361"	556.264206	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M-2H+K"	36.948606
"834340"	210.053806	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-2H+K"	36.948606
"1556245"	210.053806	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+K-2H"	36.948606
"950817"	218.103394	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-H+HCOOH"	44.998194
"366845"	391.208601	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+HCOOH-H"	44.998201
"350728"	405.224251	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+Hac-H"	59.013851
"1497006"	232.119051	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Hac-H"	59.013851
"966008"	240.085351	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-H+NaCOOH"	66.980151
"112725"	208.074602	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+2Cl"	69.938804
"553013"	294.627202	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+2Cl"	69.938804
"1025462"	121.522002	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2Cl"	69.938804
"1243948"	252.024085	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Br"	78.918885
"1308582"	254.080072	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Cl+HCOOH"	80.974872
"1323893"	276.062029	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Cl+NaCOOH"	102.956829
"917137"	286.090786	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M-H+CF3COOH"	112.985586
"1293846"	322.067464	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Cl+CF3COOH"	148.962264
"1369822"	138.092524	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H-2H2O"	-35.012676
"1386227"	156.1025	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H-H2O"	-17.0027
"296119"	347.217676	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+H"	1.007276
"685988"	520.322876	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+H"	1.007276
"1361244"	174.112476	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H"	1.007276
"134132"	174.112476	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+2H"	2.014552
"576974"	260.665076	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+2H"	2.014552
"1051606"	87.559876	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2H"	2.014552
"213674"	116.410742666667	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+3H"	3.021828
"649222"	174.112476	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+3H"	3.021828
"1165164"	58.7090093333333	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+3H"	3.021828
"429168"	364.244223	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+NH4"	18.033823
"791260"	537.349423	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+NH4"	18.033823
"1685766"	191.139023	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+NH4"	18.033823
"334775"	182.6257495	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+H+NH4"	19.041099
"729384"	269.1783495	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+H+NH4"	19.041099
"1483203"	96.0731495	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H+NH4"	19.041099
"395328"	369.199618	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+Na"	22.989218
"761795"	542.304818	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+Na"	22.989218
"1613178"	196.094418	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Na"	22.989218
"325410"	185.103447	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+H+Na"	23.996494
"721352"	271.656047	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+H+Na"	23.996494
"1472740"	98.550847	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H+Na"	23.996494
"1067323"	66.0363233333333	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2H+Na"	25.00377
"1269850"	206.138686	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+CH3OH+H"	33.033486
"391704"	385.173558	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+K"	38.963158
"752698"	558.278758	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+K"	38.963158
"1554027"	212.068358	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+K"	38.963158
"313390"	193.090417	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+H+K"	39.970434
"702164"	279.643017	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+H+K"	39.970434
"1458539"	106.537817	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H+K"	39.970434
"251275"	388.244226	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+ACN+H"	42.033826
"1217297"	215.139026	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+ACN+H"	42.033826
"1205554"	108.073151	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+ACN+2H"	43.041102
"198424"	391.18156	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+2Na-H"	44.97116
"642358"	564.28676	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+2Na-H"	44.97116
"1144770"	218.07636	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2Na-H"	44.97116
"184780"	196.094418	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+2Na"	45.978436
"621062"	282.647018	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+2Na"	45.978436
"1127847"	109.541818	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2Na"	45.978436
"1402624"	73.3636373333333	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H+2Na"	46.985712
"1433648"	220.117946	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H+HCOOH"	47.012746
"226626"	201.12744	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+3H2O+2H"	56.04448
"1517971"	234.16999	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+IsoProp+H"	61.06479
"416562"	204.081388	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+Na+K"	61.952376
"775371"	290.633988	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+Na+K"	61.952376
"1679734"	117.528788	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Na+K"	61.952376
"264792"	410.226168	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+ACN+Na"	64.015768
"1238232"	237.120968	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+ACN+Na"	64.015768
"1727725"	237.144493	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+NH4+HCOOH"	64.039293
"1193927"	80.6909513333333	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+3Na"	68.967654
"1664554"	242.099888	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Na+HCOOH"	68.994688
"171536"	423.12944	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+2K-H"	76.91904
"611217"	596.23464	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+2K-H"	76.91904
"1098523"	250.02424	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2K-H"	76.91904
"152666"	212.068358	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"2M+2K"	77.926316
"587850"	298.620958	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"3M+2K"	77.926316
"1082205"	125.515758	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2K"	77.926316
"1113226"	252.038792	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2K+H"	78.933592
"1348518"	252.126407	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+DMSO+H"	79.021207
"1012674"	256.165576	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2ACN+H"	83.060376
"1527881"	257.159208	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+IsoProp+Na+H"	84.054008
"993236"	128.586426	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+2ACN+2H"	84.067652
"1589563"	258.073828	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+K+HCOOH"	84.968628
"1417409"	288.105338	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+H+CF3COOH"	115.000138
"1148794"	149.099701	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+3ACN+2H"	125.094202
"1709280"	305.131885	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+NH4+CF3COOH"	132.026685
"1640557"	310.08728	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+Na+CF3COOH"	136.98208
"1575114"	326.06122	"C10173"	"Swainsonine"	"C8H15NO3"	"173.1052"	"M+K+CF3COOH"	152.95602
"808762"	271.1208	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M"	0
"980109"	252.10241	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"66165"	179.739924	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"506818"	270.113524	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"886807"	89.366324	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"11945"	270.113524	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"451509"	405.673924	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"818742"	134.553124	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"86024"	541.234324	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"522669"	812.355124	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"903386"	270.113524	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"52294"	558.260871	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"491854"	829.381671	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"870749"	287.140071	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"37555"	563.216266	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"485139"	834.337066	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"860390"	292.095466	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1628829"	292.095466	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"106451"	288.101863	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"543824"	423.662263	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"937338"	152.541463	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"272614"	577.211002	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"663942"	848.331802	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1275617"	306.090202	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"24377"	579.190206	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"461751"	850.311006	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"833960"	308.069406	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1557207"	308.069406	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"950928"	316.118994	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"366955"	587.239801	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"351932"	601.255451	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1497847"	330.134651	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"966118"	338.100951	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"115387"	306.090202	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"553855"	441.650602	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1024108"	170.529802	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1246242"	350.039685	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1306868"	352.095672	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1321086"	374.077629	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"917248"	384.106386	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1291039"	420.083064	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1371024"	236.108124	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1386336"	254.1181	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"296957"	543.248876	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"686098"	814.369676	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1362447"	272.128076	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"135335"	272.128076	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"579270"	407.688476	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1051351"	136.567676	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"213784"	181.754476	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"650426"	272.128076	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1167097"	91.380876	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"427822"	560.275423	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"789548"	831.396223	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1685148"	289.154623	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"334156"	280.6413495	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"729494"	416.2017495	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1482220"	145.0809495	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"395073"	565.230818	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"759718"	836.351618	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1613287"	294.110018	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"321137"	283.119047	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"722718"	418.679447	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1473943"	147.558647	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1067797"	98.70819	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1268867"	304.154286	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"391452"	581.204758	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"753904"	852.325558	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1555236"	310.083958	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"313866"	291.106017	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"705554"	426.666417	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1460799"	155.545617	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"250164"	584.275426	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1218501"	313.154626	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1207852"	157.080951	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"202910"	587.21276	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"643811"	858.33356	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1144880"	316.09196	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"184892"	294.110018	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"620078"	429.670418	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1121396"	158.549618	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1404920"	106.035504	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1433756"	318.133546	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"225642"	299.14304	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1522454"	332.18559	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"418859"	302.096988	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"777668"	437.657388	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1678751"	166.536588	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"264538"	606.257368	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1238706"	335.136568	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1724310"	335.160093	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1189663"	113.362818	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1664422"	340.115488	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"171523"	619.16064	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"611081"	890.28144	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1092676"	348.03984	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"155690"	310.083958	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"592335"	445.644358	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1082925"	174.523558	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1112243"	350.054392	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1349600"	350.142007	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1012784"	354.181176	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1528722"	355.174808	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"994076"	177.594226	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1592953"	356.089428	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1421893"	386.120938	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1149268"	198.107501	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1709390"	403.147485	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1640667"	408.10288	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1575224"	424.07682	"C10174"	"Piperyline;Trichostachine"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"808872"	742.1956	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M"	0
"980219"	723.17721	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-H2O-H"	-19.01839
"65182"	493.789790666667	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M-3H"	-3.021828
"506929"	741.188324	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M-3H"	-3.021828
"892386"	246.391257333333	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-3H"	-3.021828
"14974"	741.188324	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M-2H"	-2.014552
"446152"	1112.286124	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M-2H"	-2.014552
"826139"	370.090524	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-2H"	-2.014552
"83947"	1483.383924	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M-H"	-1.007276
"522780"	2225.579524	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M-H"	-1.007276
"902402"	741.188324	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-H"	-1.007276
"53498"	1500.410471	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M-2H+NH4"	16.019271
"491964"	2242.606071	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M-2H+NH4"	16.019271
"868307"	758.214871	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-2H+NH4"	16.019271
"37665"	1505.365866	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M-2H+Na"	20.974666
"483789"	2247.561466	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M-2H+Na"	20.974666
"859404"	763.170266	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-2H+Na"	20.974666
"1627846"	763.170266	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Na-2H"	20.974666
"101093"	759.176663	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M-H+Cl"	33.962126
"539560"	1130.274463	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M-H+Cl"	33.962126
"934169"	388.078863	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-H+Cl"	33.962126
"276007"	1519.360602	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+Cl"	34.969402
"666240"	2261.556202	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+Cl"	34.969402
"1279738"	777.165002	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Cl"	34.969402
"21207"	1521.339806	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M-2H+K"	36.948606
"461132"	2263.535406	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M-2H+K"	36.948606
"833013"	779.144206	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-2H+K"	36.948606
"1556589"	779.144206	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+K-2H"	36.948606
"949580"	787.193794	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-H+HCOOH"	44.998194
"367429"	1529.389401	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+HCOOH-H"	44.998201
"353135"	1543.405051	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+Hac-H"	59.013851
"1499781"	801.209451	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Hac-H"	59.013851
"967322"	809.175751	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-H+NaCOOH"	66.980151
"112945"	777.165002	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+2Cl"	69.938804
"555788"	1148.262802	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+2Cl"	69.938804
"1024585"	406.067202	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2Cl"	69.938804
"1245259"	821.114485	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Br"	78.918885
"1306614"	823.170472	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Cl+HCOOH"	80.974872
"1321925"	845.152429	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Cl+NaCOOH"	102.956829
"914077"	855.181186	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M-H+CF3COOH"	112.985586
"1288797"	891.157864	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Cl+CF3COOH"	148.962264
"1368948"	707.182924	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H-2H2O"	-35.012676
"1386811"	725.1929	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H-H2O"	-17.0027
"293787"	1485.398476	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+H"	1.007276
"686208"	2227.594076	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+H"	1.007276
"1362557"	743.202876	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H"	1.007276
"134352"	743.202876	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+2H"	2.014552
"579385"	1114.300676	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+2H"	2.014552
"1051097"	372.105076	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2H"	2.014552
"211707"	495.804342666667	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+3H"	3.021828
"653454"	743.202876	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+3H"	3.021828
"1167208"	248.405809333333	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+3H"	3.021828
"428298"	1502.425023	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+NH4"	18.033823
"789295"	2244.620623	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+NH4"	18.033823
"1684530"	760.229423	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+NH4"	18.033823
"333902"	751.7161495	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+H+NH4"	19.041099
"729604"	1122.8139495	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+H+NH4"	19.041099
"1483423"	380.6183495	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H+NH4"	19.041099
"396276"	1507.380418	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+Na"	22.989218
"759825"	2249.576018	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+Na"	22.989218
"1610116"	765.184818	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Na"	22.989218
"322335"	754.193847	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+H+Na"	23.996494
"714759"	1125.291647	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+H+Na"	23.996494
"1467485"	383.096047	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H+Na"	23.996494
"1056358"	255.733123333333	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2H+Na"	25.00377
"1262410"	775.229086	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+CH3OH+H"	33.033486
"385360"	1523.354358	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+K"	38.963158
"752553"	2265.549958	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+K"	38.963158
"1555181"	781.158758	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+K"	38.963158
"312151"	762.180817	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+H+K"	39.970434
"703476"	1133.278617	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+H+K"	39.970434
"1452923"	391.083017	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H+K"	39.970434
"245899"	1526.425026	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+ACN+H"	42.033826
"1217518"	784.229426	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+ACN+H"	42.033826
"1202494"	392.618351	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+ACN+2H"	43.041102
"200833"	1529.36236	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+2Na-H"	44.97116
"642214"	2271.55796	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+2Na-H"	44.97116
"1142802"	787.16676	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2Na-H"	44.97116
"181723"	765.184818	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+2Na"	45.978436
"619095"	1136.282618	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+2Na"	45.978436
"1120413"	394.087018	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2Na"	45.978436
"1401751"	263.060437333333	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H+2Na"	46.985712
"1433866"	789.208346	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H+HCOOH"	47.012746
"226845"	770.21784	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+3H2O+2H"	56.04448
"1522564"	803.26039	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+IsoProp+H"	61.06479
"417876"	773.171788	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+Na+K"	61.952376
"779965"	1144.269588	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+Na+K"	61.952376
"1679224"	402.073988	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Na+K"	61.952376
"265015"	1548.406968	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+ACN+Na"	64.015768
"1239544"	806.211368	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+ACN+Na"	64.015768
"1723326"	806.234893	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+NH4+HCOOH"	64.039293
"1192815"	270.387751333333	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+3Na"	68.967654
"1661856"	811.190288	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Na+HCOOH"	68.994688
"171878"	1561.31024	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+2K-H"	76.91904
"610463"	2303.50584	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+2K-H"	76.91904
"1098255"	819.11464	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2K-H"	76.91904
"152885"	781.158758	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"2M+2K"	77.926316
"592444"	1152.256558	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"3M+2K"	77.926316
"1076954"	410.060958	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2K"	77.926316
"1106884"	821.129192	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2K+H"	78.933592
"1344364"	821.216807	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+DMSO+H"	79.021207
"1013988"	825.255976	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2ACN+H"	83.060376
"1531020"	826.249608	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+IsoProp+Na+H"	84.054008
"1002935"	413.131626	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+2ACN+2H"	84.067652
"1600719"	827.164228	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+K+HCOOH"	84.968628
"1427473"	857.195738	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+H+CF3COOH"	115.000138
"1158856"	433.644901	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+3ACN+2H"	125.094202
"1710595"	874.222285	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+NH4+CF3COOH"	132.026685
"1644058"	879.17768	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+Na+CF3COOH"	136.98208
"1585177"	895.15162	"C10175"	"Quercetin 3-(2G-xylosylrutinoside)"	"C32H38O20"	"742.1956"	"M+K+CF3COOH"	152.95602
"805702"	316.0583	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M"	0
"980329"	297.03991	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"68572"	209.698257333333	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"507039"	315.051024	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"890310"	104.345490666667	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"15207"	315.051024	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"451726"	473.080174	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"829525"	157.021874	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"86245"	631.109324	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"520340"	947.167624	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"900329"	315.051024	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"55797"	648.135871	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"497543"	964.194171	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"877534"	332.077571	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"45436"	653.091266	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"484632"	969.149566	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"860613"	337.032966	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1630146"	337.032966	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"101204"	333.039363	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"536390"	491.068513	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"928810"	175.010213	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"268828"	667.086002	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"660198"	983.144302	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1273655"	351.027702	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"23504"	669.065206	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"460878"	985.123506	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"832968"	353.006906	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1557429"	353.006906	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"948960"	361.056494	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"366082"	677.114801	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"348871"	691.130451	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1498069"	375.072151	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"966340"	383.038451	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"115245"	351.027702	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"554805"	509.056852	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1026884"	192.998552	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1250836"	394.977185	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1304212"	397.033172	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1320942"	419.015129	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"914189"	429.043886	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1289683"	465.020564	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1369060"	281.045624	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1383638"	299.0556	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"283813"	633.123876	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"676314"	949.182176	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1353556"	317.065576	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"134462"	317.065576	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"578398"	475.094726	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1048292"	159.036426	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"211818"	211.712809333333	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"652471"	317.065576	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1167317"	106.360042666667	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"426585"	650.150423	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"789405"	966.208723	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1684640"	334.092123	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"332919"	325.5788495	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"727527"	483.6079995	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1482441"	167.5496995	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"395658"	655.105818	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"759935"	971.164118	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1610224"	339.047518	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"319165"	328.056547	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"710491"	486.085697	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1462489"	170.027397	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1060837"	113.687356666667	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1260695"	349.091786	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"381094"	671.079758	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"744273"	987.138058	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1551802"	355.021458	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"311897"	336.043517	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"701400"	494.072667	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1453033"	178.014367	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"246009"	674.150426	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1213254"	358.092126	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1201511"	179.549701	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"195475"	677.08776	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"636127"	993.14606	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1139632"	361.02946	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"185108"	339.047518	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"619205"	497.076668	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1120523"	181.018368	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1405140"	121.014670666667	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1436163"	363.071046	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"224766"	344.08054	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1516841"	377.12309	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"414705"	347.034488	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"777888"	505.063638	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1677510"	189.005338	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"264764"	696.132368	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1238925"	380.074068	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1725623"	380.097593	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1191709"	128.341984666667	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1661965"	385.052988	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"171012"	709.03564	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"608385"	1025.09394	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1096178"	392.97734	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"155910"	355.021458	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"590368"	513.050608	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1078159"	196.992308	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1110276"	394.991892	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1338640"	395.079507	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1008993"	399.118676	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1527120"	400.112308	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"993202"	200.062976	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1600829"	401.026928	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1427583"	431.058438	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1158966"	220.576251	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1709612"	448.084985	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1648179"	453.04038	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1575446"	469.01432	"C10176"	"Rhamnetin;Quercetin 7-methyl ether"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"812375"	302.0427	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M"	0
"979346"	283.02431	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"68682"	200.354524	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"512615"	301.035424	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"888231"	99.673624	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"7900"	301.035424	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"453659"	452.056774	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"830609"	150.014074	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"87449"	603.078124	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"525917"	905.120824	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"905906"	301.035424	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"58094"	620.104671	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"495467"	922.147371	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"877402"	318.061971	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"45668"	625.060066	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"484013"	927.102766	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"863760"	323.017366	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1632443"	323.017366	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"102407"	319.023763	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"537594"	470.045113	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"931108"	168.002413	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"272948"	639.054802	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"660468"	941.097502	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1276681"	337.012102	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"26894"	641.034006	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"466455"	943.076706	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"836967"	338.991306	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1560091"	338.991306	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"949070"	347.040894	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"368379"	649.083601	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"349345"	663.099251	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1500366"	361.056551	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"966450"	369.022851	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"115355"	337.012102	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"554915"	488.033452	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1033190"	185.990752	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1253862"	380.961585	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1305982"	383.017572	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1322145"	404.999529	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"917580"	415.028286	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1294291"	451.004964	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1368806"	267.030024	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1384115"	285.04	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"285989"	605.092676	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"679870"	907.135376	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1360592"	303.049976	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"134572"	303.049976	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"577780"	454.071326	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1046215"	152.028626	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"211928"	202.369076	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"651488"	303.049976	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1167429"	101.688176	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"433985"	622.119223	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"792795"	924.161923	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1688031"	320.076523	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"340684"	311.5632495	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"730920"	462.5845995	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1488019"	160.5418995	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"395768"	627.074618	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"761138"	929.117318	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1607052"	325.031918	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"319275"	314.040947	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"710601"	465.062297	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1462234"	163.019597	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1057667"	109.01549	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1262627"	335.076186	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"380107"	643.048558	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"744383"	945.091258	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1551912"	341.005858	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"310546"	322.027917	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"701510"	473.049267	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1455330"	171.006567	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"246119"	646.119226	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1219924"	344.076526	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1204901"	172.541901	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"195585"	649.05656	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"638423"	951.09926	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1143752"	347.01386	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"186312"	325.031918	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"620407"	476.053268	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1124642"	174.010568	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1405979"	116.342804	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1435179"	349.055446	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"227792"	330.06494	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1514763"	363.10749	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"412630"	333.018888	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"775812"	484.040238	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1680863"	181.997538	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"264874"	668.101168	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1237577"	366.058468	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1725734"	366.081993	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1189996"	123.670118	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1663898"	371.037388	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"167842"	681.00444	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"608497"	983.04714	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1096289"	378.96174	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"155898"	341.005858	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"593758"	492.027208	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1083498"	189.984508	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1113666"	380.976292	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1343490"	381.063907	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1014207"	385.103076	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1536707"	386.096708	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"999874"	193.055176	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1597658"	387.011328	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1418945"	417.042838	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1159076"	213.568451	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1711908"	434.069385	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1647925"	439.02478	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1575556"	454.99872	"C10177"	"Robinetin;5-Deoxymyricetin"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"805922"	740.2164	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M"	0
"986016"	721.19801	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-H2O-H"	-19.01839
"68792"	492.470324	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M-3H"	-3.021828
"516005"	739.209124	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M-3H"	-3.021828
"885061"	245.731524	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-3H"	-3.021828
"4730"	739.209124	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M-2H"	-2.014552
"453039"	1109.317324	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M-2H"	-2.014552
"830840"	369.100924	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-2H"	-2.014552
"85372"	1479.425524	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M-H"	-1.007276
"528214"	2219.641924	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M-H"	-1.007276
"902736"	739.209124	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-H"	-1.007276
"58204"	1496.452071	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M-2H+NH4"	16.019271
"493390"	2236.668471	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M-2H+NH4"	16.019271
"874473"	756.235671	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-2H+NH4"	16.019271
"44440"	1501.407466	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M-2H+Na"	20.974666
"484123"	2241.623866	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M-2H+Na"	20.974666
"860833"	761.191066	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-2H+Na"	20.974666
"1628179"	761.191066	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Na-2H"	20.974666
"103610"	757.197463	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M-H+Cl"	33.962126
"535881"	1127.305663	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M-H+Cl"	33.962126
"930124"	387.089263	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-H+Cl"	33.962126
"269777"	1515.402202	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+Cl"	34.969402
"660617"	2255.618602	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+Cl"	34.969402
"1280071"	775.185802	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Cl"	34.969402
"27735"	1517.381406	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M-2H+K"	36.948606
"461098"	2257.597806	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M-2H+K"	36.948606
"836713"	777.165006	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-2H+K"	36.948606
"1556921"	777.165006	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+K-2H"	36.948606
"946994"	785.214594	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-H+HCOOH"	44.998194
"366303"	1525.431001	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+HCOOH-H"	44.998201
"350184"	1539.446651	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+Hac-H"	59.013851
"1499383"	799.230251	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Hac-H"	59.013851
"964008"	807.196551	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-H+NaCOOH"	66.980151
"117652"	775.185802	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+2Cl"	69.938804
"553931"	1145.294002	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+2Cl"	69.938804
"1030384"	405.077602	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2Cl"	69.938804
"1247776"	819.135285	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Br"	78.918885
"1304998"	821.191272	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Cl+HCOOH"	80.974872
"1320792"	843.173229	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Cl+NaCOOH"	102.956829
"914409"	853.201986	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M-H+CF3COOH"	112.985586
"1290755"	889.178664	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Cl+CF3COOH"	148.962264
"1369645"	705.203724	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H-2H2O"	-35.012676
"1387140"	723.2137	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H-H2O"	-17.0027
"284641"	1481.440076	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+H"	1.007276
"682167"	2221.656476	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+H"	1.007276
"1357421"	741.223676	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H"	1.007276
"134682"	741.223676	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+2H"	2.014552
"578253"	1111.331876	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+2H"	2.014552
"1046324"	371.115476	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2H"	2.014552
"213131"	494.484876	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+3H"	3.021828
"648318"	741.223676	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+3H"	3.021828
"1168632"	247.746076	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+3H"	3.021828
"433003"	1498.466623	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+NH4"	18.033823
"793997"	2238.683023	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+NH4"	18.033823
"1692516"	758.250223	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+NH4"	18.033823
"340796"	749.7369495	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+H+NH4"	19.041099
"734310"	1119.8451495	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+H+NH4"	19.041099
"1489223"	379.6287495	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H+NH4"	19.041099
"399157"	1503.422018	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+Na"	22.989218
"759061"	2243.638418	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+Na"	22.989218
"1607162"	763.205618	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Na"	22.989218
"317198"	752.214647	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+H+Na"	23.996494
"709618"	1122.322847	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+H+Na"	23.996494
"1462465"	382.106447	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H+Na"	23.996494
"1057776"	255.07339	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2H+Na"	25.00377
"1259458"	773.249886	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+CH3OH+H"	33.033486
"382403"	1519.395958	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+K"	38.963158
"745587"	2259.612358	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+K"	38.963158
"1551658"	779.179558	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+K"	38.963158
"312479"	760.201617	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+H+K"	39.970434
"701620"	1130.309817	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+H+K"	39.970434
"1456533"	390.093417	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H+K"	39.970434
"247322"	1522.466626	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+ACN+H"	42.033826
"1220032"	782.250226	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+ACN+H"	42.033826
"1205011"	391.628751	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+ACN+2H"	43.041102
"200798"	1525.40396	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+2Na-H"	44.97116
"640355"	2265.62036	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+2Na-H"	44.97116
"1143861"	785.18756	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2Na-H"	44.97116
"184962"	763.205618	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+2Na"	45.978436
"624529"	1133.313818	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+2Na"	45.978436
"1128765"	393.097418	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2Na"	45.978436
"1410100"	262.400704	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H+2Na"	46.985712
"1438571"	787.229146	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H+HCOOH"	47.012746
"228631"	768.23864	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+3H2O+2H"	56.04448
"1515966"	801.28119	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+IsoProp+H"	61.06479
"412740"	771.192588	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+Na+K"	61.952376
"774829"	1141.300788	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+Na+K"	61.952376
"1680282"	401.084388	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Na+K"	61.952376
"265344"	1544.448568	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+ACN+Na"	64.015768
"1235864"	804.232168	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+ACN+Na"	64.015768
"1720377"	804.255693	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+NH4+HCOOH"	64.039293
"1187919"	269.728018	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+3Na"	68.967654
"1661092"	809.211088	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Na+HCOOH"	68.994688
"169046"	1557.35184	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+2K-H"	76.91904
"608606"	2297.56824	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+2K-H"	76.91904
"1095304"	817.13544	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2K-H"	76.91904
"151025"	779.179558	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"2M+2K"	77.926316
"593867"	1149.287758	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"3M+2K"	77.926316
"1083366"	409.071358	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2K"	77.926316
"1113776"	819.149992	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2K+H"	78.933592
"1341413"	819.237607	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+DMSO+H"	79.021207
"1014317"	823.276776	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2ACN+H"	83.060376
"1536817"	824.270408	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+IsoProp+Na+H"	84.054008
"999984"	412.142026	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+2ACN+2H"	84.067652
"1597768"	825.185028	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+K+HCOOH"	84.968628
"1421241"	855.216538	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+H+CF3COOH"	115.000138
"1159186"	432.655301	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+3ACN+2H"	125.094202
"1711897"	872.243085	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+NH4+CF3COOH"	132.026685
"1647669"	877.19848	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+Na+CF3COOH"	136.98208
"1575666"	893.17242	"C10178"	"Robinin"	"C33H40O19"	"740.2164"	"M+K+CF3COOH"	152.95602
"806032"	538.09	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M"	0
"979566"	519.07161	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-H2O-H"	-19.01839
"68902"	357.719390666667	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M-3H"	-3.021828
"512835"	537.082724	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M-3H"	-3.021828
"881890"	178.356057333333	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-3H"	-3.021828
"3746"	537.082724	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H"	-2.014552
"446588"	806.127724	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H"	-2.014552
"826578"	268.037724	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-2H"	-2.014552
"85480"	1075.172724	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M-H"	-1.007276
"523950"	1613.262724	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M-H"	-1.007276
"902847"	537.082724	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-H"	-1.007276
"55034"	1092.199271	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+NH4"	16.019271
"491312"	1630.289271	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+NH4"	16.019271
"873490"	554.109271	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+NH4"	16.019271
"40299"	1097.154666	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+Na"	20.974666
"484233"	1635.244666	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+Na"	20.974666
"862036"	559.064666	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+Na"	20.974666
"1628290"	559.064666	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Na-2H"	20.974666
"100442"	555.071063	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M-H+Cl"	33.962126
"537084"	824.116063	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M-H+Cl"	33.962126
"933516"	286.026063	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-H+Cl"	33.962126
"276449"	1111.149402	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+Cl"	34.969402
"662308"	1649.239402	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+Cl"	34.969402
"1280181"	573.059402	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl"	34.969402
"28937"	1113.128606	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M-2H+K"	36.948606
"461208"	1651.218606	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M-2H+K"	36.948606
"839010"	575.038606	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-2H+K"	36.948606
"1562499"	575.038606	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+K-2H"	36.948606
"948197"	583.088194	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-H+HCOOH"	44.998194
"370789"	1121.178201	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+HCOOH-H"	44.998201
"357950"	1135.193851	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+Hac-H"	59.013851
"1502409"	597.103851	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Hac-H"	59.013851
"963026"	605.070151	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-H+NaCOOH"	66.980151
"117762"	573.059402	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Cl"	69.938804
"556228"	842.104402	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Cl"	69.938804
"1022476"	304.014402	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2Cl"	69.938804
"1241933"	617.008885	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Br"	78.918885
"1305958"	619.064872	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+HCOOH"	80.974872
"1322362"	641.046829	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+NaCOOH"	102.956829
"918893"	651.075586	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M-H+CF3COOH"	112.985586
"1294512"	687.052264	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Cl+CF3COOH"	148.962264
"1369392"	503.077324	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H-2H2O"	-35.012676
"1386157"	521.0873	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H-H2O"	-17.0027
"285481"	1077.187276	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+H"	1.007276
"685557"	1615.277276	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+H"	1.007276
"1361908"	539.097276	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H"	1.007276
"136981"	539.097276	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+2H"	2.014552
"577273"	808.142276	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+2H"	2.014552
"1045341"	270.052276	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2H"	2.014552
"212149"	359.733942666667	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H"	3.021828
"651709"	539.097276	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+3H"	3.021828
"1172022"	180.370609333333	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+3H"	3.021828
"435300"	1094.213823	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+NH4"	18.033823
"791923"	1632.303823	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+NH4"	18.033823
"1684607"	556.123823	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4"	18.033823
"333250"	547.6105495	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+NH4"	19.041099
"728954"	816.6555495	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+NH4"	19.041099
"1488242"	278.5655495	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H+NH4"	19.041099
"397081"	1099.169218	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na"	22.989218
"759171"	1637.259218	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na"	22.989218
"1606177"	561.079218	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Na"	22.989218
"316214"	550.088247	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+Na"	23.996494
"710823"	819.133247	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+Na"	23.996494
"1462451"	281.043247	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H+Na"	23.996494
"1055700"	187.697923333333	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2H+Na"	25.00377
"1259201"	571.123486	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+CH3OH+H"	33.033486
"380329"	1115.143158	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+K"	38.963158
"745699"	1653.233158	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+K"	38.963158
"1542652"	577.053158	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+K"	38.963158
"312224"	558.075217	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+H+K"	39.970434
"698447"	827.120217	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+H+K"	39.970434
"1458830"	289.030217	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H+K"	39.970434
"247432"	1118.213826	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+H"	42.033826
"1223423"	580.123826	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+H"	42.033826
"1202932"	290.565551	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+2H"	43.041102
"200177"	1121.15116	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na-H"	44.97116
"642652"	1659.24116	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na-H"	44.97116
"1142149"	583.06116	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na-H"	44.97116
"185439"	561.079218	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+2Na"	45.978436
"621721"	830.124218	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+2Na"	45.978436
"1126320"	292.034218	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2Na"	45.978436
"1406563"	195.025237333333	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H+2Na"	46.985712
"1435399"	585.102746	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H+HCOOH"	47.012746
"228376"	566.11224	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+3H2O+2H"	56.04448
"1516441"	599.15479	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+H"	61.06479
"416130"	569.066188	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+Na+K"	61.952376
"778219"	838.111188	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+Na+K"	61.952376
"1681002"	300.021188	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+K"	61.952376
"259985"	1140.195768	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+ACN+Na"	64.015768
"1233788"	602.105768	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+ACN+Na"	64.015768
"1725955"	602.129293	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+HCOOH"	64.039293
"1188029"	202.352551333333	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+3Na"	68.967654
"1655735"	607.084688	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+HCOOH"	68.994688
"166969"	1153.09904	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K-H"	76.91904
"602156"	1691.18904	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K-H"	76.91904
"1098573"	615.00904	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2K-H"	76.91904
"151135"	577.053158	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"2M+2K"	77.926316
"596169"	846.098158	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"3M+2K"	77.926316
"1081771"	308.008158	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2K"	77.926316
"1113886"	617.023592	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2K+H"	78.933592
"1340429"	617.111207	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+DMSO+H"	79.021207
"1014427"	621.150376	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+H"	83.060376
"1536927"	622.144008	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+IsoProp+Na+H"	84.054008
"996814"	311.078826	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+2ACN+2H"	84.067652
"1597878"	623.058628	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+K+HCOOH"	84.968628
"1419163"	653.090138	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+H+CF3COOH"	115.000138
"1162214"	331.592101	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+3ACN+2H"	125.094202
"1711764"	670.116685	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+NH4+CF3COOH"	132.026685
"1648874"	675.07208	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+Na+CF3COOH"	136.98208
"1575776"	691.04602	"C10179"	"Robustaflavone;36-Biapigenin"	"C30H18O10"	"538.09"	"M+K+CF3COOH"	152.95602
"806142"	344.0896	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M"	0
"979676"	325.07121	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"70105"	228.385790666667	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"506383"	343.082324	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"882001"	113.689257333333	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"3856"	343.082324	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"445605"	515.127124	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"826688"	171.037524	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"85591"	687.171924	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"526248"	1031.261524	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"906238"	343.082324	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"55145"	704.198471	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"494700"	1048.288071	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"872507"	360.108871	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"40409"	709.153866	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"484343"	1053.243466	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"862146"	365.064266	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1628398"	365.064266	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"98367"	361.070663	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"540112"	533.115463	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"935814"	189.025863	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"279839"	723.148602	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"666793"	1067.238202	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1280291"	379.059002	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"23943"	725.127806	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"458040"	1069.217406	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"835843"	381.038206	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1560424"	381.038206	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"950493"	389.087794	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"369805"	733.177401	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"355874"	747.193051	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1502519"	403.103451	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"962772"	411.069751	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"124432"	379.059002	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"561805"	551.103802	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1025503"	207.014202	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1243988"	423.008485	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1305463"	425.064472	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1321380"	447.046429	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"921190"	457.075186	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1296809"	493.051864	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1372783"	309.076924	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1390279"	327.0869	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"291059"	689.186476	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"686397"	1033.276076	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1360923"	345.096876	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"137094"	345.096876	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"575923"	517.141676	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1044358"	173.052076	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"210073"	230.400342666667	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"655466"	345.096876	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1171768"	115.703809333333	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"429945"	706.213023	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"797866"	1050.302623	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1686179"	362.123423	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"333364"	353.6101495	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"726878"	525.6549495	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1488352"	181.5653495	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"395004"	711.168418	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"757094"	1055.258018	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1607381"	367.078818	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"316325"	356.087847	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"711299"	528.132647	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1466940"	184.043047	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1054718"	123.031123333333	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1258948"	377.123086	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"381530"	727.142358	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"745807"	1071.231958	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1542762"	383.052758	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"313671"	364.074817	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"696370"	536.119617	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1456753"	192.030017	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"246449"	730.213026	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1222439"	386.123426	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1201948"	193.565351	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"197006"	733.15036	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"638752"	1077.23996	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1138978"	389.06076	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"183726"	367.078818	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"620737"	539.123618	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1124242"	195.034018	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1401206"	130.358437333333	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1432229"	391.102346	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"227393"	372.11184	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1514365"	405.15439	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"416240"	375.065788	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"781245"	547.110588	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1679042"	203.020988	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"263011"	752.194968	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1232804"	408.105368	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1722785"	408.128893	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1187045"	137.685751333333	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1658031"	413.084288	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"160519"	765.09824	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"604452"	1109.18784	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1095523"	421.00864	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"151244"	383.052758	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"593966"	555.097558	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1080787"	211.007958	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1113875"	423.023192	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1338352"	423.110807	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1011257"	427.149976	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1534850"	428.143608	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"995830"	214.078626	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1593614"	429.058228	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1419273"	459.089738	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1161594"	234.591901	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1710051"	476.116285	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1647889"	481.07168	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1575886"	497.04562	"C10180"	"Santin"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"806252"	564.1479	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M"	0
"983066"	545.12951	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-H2O-H"	-19.01839
"70215"	375.091324	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M-3H"	-3.021828
"505400"	563.140624	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M-3H"	-3.021828
"882475"	187.042024	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-3H"	-3.021828
"3966"	563.140624	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M-2H"	-2.014552
"450088"	845.214574	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M-2H"	-2.014552
"827891"	281.066674	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-2H"	-2.014552
"84608"	1127.288524	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M-H"	-1.007276
"525265"	1691.436424	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M-H"	-1.007276
"903068"	563.140624	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-H"	-1.007276
"54162"	1144.315071	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M-2H+NH4"	16.019271
"491531"	1708.462971	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M-2H+NH4"	16.019271
"867148"	580.167171	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-2H+NH4"	16.019271
"33957"	1149.270466	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M-2H+Na"	20.974666
"481174"	1713.418366	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M-2H+Na"	20.974666
"861163"	585.122566	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-2H+Na"	20.974666
"1627414"	585.122566	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Na-2H"	20.974666
"98477"	581.128963	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M-H+Cl"	33.962126
"539128"	863.202913	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M-H+Cl"	33.962126
"935924"	299.055013	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-H+Cl"	33.962126
"271201"	1163.265202	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+Cl"	34.969402
"663623"	1727.413102	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+Cl"	34.969402
"1280401"	599.117302	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Cl"	34.969402
"19678"	1165.244406	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M-2H+K"	36.948606
"463617"	1729.392306	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M-2H+K"	36.948606
"835953"	601.096506	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-2H+K"	36.948606
"1562721"	601.096506	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+K-2H"	36.948606
"947322"	609.146094	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-H+HCOOH"	44.998194
"369915"	1173.294001	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+HCOOH-H"	44.998201
"358170"	1187.309651	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+Hac-H"	59.013851
"1502629"	623.161751	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Hac-H"	59.013851
"963246"	631.128051	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-H+NaCOOH"	66.980151
"125399"	599.117302	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+2Cl"	69.938804
"561915"	881.191252	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+2Cl"	69.938804
"1026343"	317.043352	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2Cl"	69.938804
"1245922"	643.066785	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Br"	78.918885
"1306545"	645.122772	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Cl+HCOOH"	80.974872
"1322584"	667.104729	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Cl+NaCOOH"	102.956829
"921300"	677.133486	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M-H+CF3COOH"	112.985586
"1300928"	713.110164	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Cl+CF3COOH"	148.962264
"1380183"	529.135224	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H-2H2O"	-35.012676
"1393669"	547.1452	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H-H2O"	-17.0027
"294449"	1129.303076	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+H"	1.007276
"687964"	1693.450976	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+H"	1.007276
"1361033"	565.155176	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H"	1.007276
"137204"	565.155176	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+2H"	2.014552
"576762"	847.229126	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+2H"	2.014552
"1045561"	283.081226	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2H"	2.014552
"214922"	377.105876	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+3H"	3.021828
"656669"	565.155176	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+3H"	3.021828
"1170053"	189.056576	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+3H"	3.021828
"437347"	1146.329623	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+NH4"	18.033823
"798711"	1710.477523	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+NH4"	18.033823
"1688475"	582.181723	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+NH4"	18.033823
"335660"	573.6684495	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+H+NH4"	19.041099
"730268"	855.7423995	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+H+NH4"	19.041099
"1489556"	291.5944995	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H+NH4"	19.041099
"398395"	1151.285018	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+Na"	22.989218
"759391"	1715.432918	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+Na"	22.989218
"1603360"	587.137118	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Na"	22.989218
"321902"	576.146147	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+H+Na"	23.996494
"711044"	858.220097	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+H+Na"	23.996494
"1465957"	294.072197	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H+Na"	23.996494
"1054828"	196.38389	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2H+Na"	25.00377
"1259787"	597.181386	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+CH3OH+H"	33.033486
"378846"	1167.258958	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+K"	38.963158
"743730"	1731.406858	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+K"	38.963158
"1542508"	603.111058	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+K"	38.963158
"306246"	584.133117	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+H+K"	39.970434
"697573"	866.207067	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+H+K"	39.970434
"1456863"	302.059167	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H+K"	39.970434
"246559"	1170.329626	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+ACN+H"	42.033826
"1220363"	606.181726	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+ACN+H"	42.033826
"1203152"	303.594501	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+ACN+2H"	43.041102
"197117"	1173.26696	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+2Na-H"	44.97116
"639954"	1737.41486	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+2Na-H"	44.97116
"1141275"	609.11906	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2Na-H"	44.97116
"184930"	587.137118	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+2Na"	45.978436
"616474"	869.211068	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+2Na"	45.978436
"1121072"	305.063168	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2Na"	45.978436
"1399977"	203.711204	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H+2Na"	46.985712
"1433432"	611.160646	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H+HCOOH"	47.012746
"224224"	592.17014	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+3H2O+2H"	56.04448
"1516662"	625.21269	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+IsoProp+H"	61.06479
"418537"	595.124088	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+Na+K"	61.952376
"780262"	877.198038	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+Na+K"	61.952376
"1680247"	313.050138	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Na+K"	61.952376
"263121"	1192.311568	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+ACN+Na"	64.015768
"1232914"	628.163668	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+ACN+Na"	64.015768
"1722895"	628.187193	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+NH4+HCOOH"	64.039293
"1187155"	211.038518	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+3Na"	68.967654
"1657047"	633.142588	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Na+HCOOH"	68.994688
"161721"	1205.21484	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+2K-H"	76.91904
"604562"	1769.36274	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+2K-H"	76.91904
"1092353"	641.06694	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2K-H"	76.91904
"149167"	603.111058	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"2M+2K"	77.926316
"594197"	885.185008	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"3M+2K"	77.926316
"1080897"	321.037108	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2K"	77.926316
"1114106"	643.081492	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2K+H"	78.933592
"1341742"	643.169107	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+DMSO+H"	79.021207
"1011366"	647.208276	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2ACN+H"	83.060376
"1531680"	648.201908	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+IsoProp+Na+H"	84.054008
"995940"	324.107776	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+2ACN+2H"	84.067652
"1595911"	649.116528	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+K+HCOOH"	84.968628
"1420477"	679.148038	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+H+CF3COOH"	115.000138
"1161705"	344.621051	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+3ACN+2H"	125.094202
"1712108"	696.174585	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+NH4+CF3COOH"	132.026685
"1649338"	701.12998	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+Na+CF3COOH"	136.98208
"1575996"	717.10392	"C10181"	"Schaftoside"	"C26H28O14"	"564.1479"	"M+K+CF3COOH"	152.95602
"806362"	580.1369	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M"	0
"979896"	561.11851	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-H2O-H"	-19.01839
"70325"	385.750657333333	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M-3H"	-3.021828
"504781"	579.129624	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M-3H"	-3.021828
"880883"	192.371690666667	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-3H"	-3.021828
"2983"	579.129624	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M-2H"	-2.014552
"448013"	869.198074	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M-2H"	-2.014552
"829095"	289.061174	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-2H"	-2.014552
"87995"	1159.266524	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M-H"	-1.007276
"523189"	1739.403424	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M-H"	-1.007276
"899898"	579.129624	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-H"	-1.007276
"49900"	1176.293071	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M-2H+NH4"	16.019271
"488117"	1756.429971	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M-2H+NH4"	16.019271
"864502"	596.156171	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-2H+NH4"	16.019271
"36254"	1181.248466	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M-2H+Na"	20.974666
"483470"	1761.385366	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M-2H+Na"	20.974666
"860909"	601.111566	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-2H+Na"	20.974666
"1627524"	601.111566	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Na-2H"	20.974666
"105147"	597.117963	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M-H+Cl"	33.962126
"541426"	887.186413	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M-H+Cl"	33.962126
"939314"	307.049513	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-H+Cl"	33.962126
"275685"	1195.243202	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+Cl"	34.969402
"669200"	1775.380102	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+Cl"	34.969402
"1282698"	615.106302	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Cl"	34.969402
"19787"	1197.222406	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M-2H+K"	36.948606
"463727"	1777.359306	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M-2H+K"	36.948606
"833875"	617.085506	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-2H+K"	36.948606
"1557363"	617.085506	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+K-2H"	36.948606
"946339"	625.135094	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-H+HCOOH"	44.998194
"368932"	1205.272001	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+HCOOH-H"	44.998201
"353907"	1219.287651	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+Hac-H"	59.013851
"1497272"	639.150751	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Hac-H"	59.013851
"968091"	647.117051	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-H+NaCOOH"	66.980151
"118091"	615.106302	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+2Cl"	69.938804
"558744"	905.174752	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+2Cl"	69.938804
"1027545"	325.037852	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2Cl"	69.938804
"1242140"	659.055785	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Br"	78.918885
"1305561"	661.111772	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Cl+HCOOH"	80.974872
"1321601"	683.093729	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Cl+NaCOOH"	102.956829
"920317"	693.122486	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M-H+CF3COOH"	112.985586
"1302132"	729.099164	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Cl+CF3COOH"	148.962264
"1379929"	545.124224	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H-2H2O"	-35.012676
"1393779"	563.1342	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H-H2O"	-17.0027
"294195"	1161.281076	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+H"	1.007276
"688806"	1741.417976	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+H"	1.007276
"1363331"	581.144176	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H"	1.007276
"138042"	581.144176	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+2H"	2.014552
"574684"	871.212626	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+2H"	2.014552
"1044578"	291.075726	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2H"	2.014552
"215033"	387.765209333333	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+3H"	3.021828
"657995"	581.144176	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+3H"	3.021828
"1170163"	194.386242666667	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+3H"	3.021828
"437820"	1178.307623	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+NH4"	18.033823
"798820"	1758.444523	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+NH4"	18.033823
"1688585"	598.170723	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+NH4"	18.033823
"342698"	589.6574495	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+H+NH4"	19.041099
"732201"	879.7258995	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+H+NH4"	19.041099
"1491126"	299.5889995	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H+NH4"	19.041099
"397411"	1183.263018	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+Na"	22.989218
"759502"	1763.399918	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+Na"	22.989218
"1603713"	603.126118	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Na"	22.989218
"318732"	592.135147	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+H+Na"	23.996494
"710060"	882.203597	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+H+Na"	23.996494
"1466067"	302.066697	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H+Na"	23.996494
"1055302"	201.713556666667	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2H+Na"	25.00377
"1258317"	613.170386	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+CH3OH+H"	33.033486
"381750"	1199.236958	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+K"	38.963158
"743841"	1779.373858	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+K"	38.963158
"1542618"	619.100058	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+K"	38.963158
"301611"	600.122117	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+H+K"	39.970434
"694403"	890.190567	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+H+K"	39.970434
"1456974"	310.053667	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H+K"	39.970434
"245577"	1202.307626	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+ACN+H"	42.033826
"1220474"	622.170726	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+ACN+H"	42.033826
"1197797"	311.589001	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+ACN+2H"	43.041102
"195042"	1205.24496	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+2Na-H"	44.97116
"640065"	1785.38186	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+2Na-H"	44.97116
"1143572"	625.10806	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2Na-H"	44.97116
"182488"	603.126118	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+2Na"	45.978436
"623141"	893.194568	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+2Na"	45.978436
"1117902"	313.057668	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2Na"	45.978436
"1400330"	209.040870666667	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H+2Na"	46.985712
"1432447"	627.149646	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H+HCOOH"	47.012746
"223241"	608.15914	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+3H2O+2H"	56.04448
"1516772"	641.20169	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+IsoProp+H"	61.06479
"419376"	611.113088	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+Na+K"	61.952376
"780372"	901.181538	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+Na+K"	61.952376
"1679262"	321.044638	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Na+K"	61.952376
"257035"	1224.289568	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+ACN+Na"	64.015768
"1230837"	644.152668	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+ACN+Na"	64.015768
"1719725"	644.176193	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+NH4+HCOOH"	64.039293
"1186172"	216.368184666667	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+3Na"	68.967654
"1653877"	649.131588	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Na+HCOOH"	68.994688
"159644"	1237.19284	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+2K-H"	76.91904
"610138"	1817.32974	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+2K-H"	76.91904
"1092463"	657.05594	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2K-H"	76.91904
"149277"	619.100058	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"2M+2K"	77.926316
"594307"	909.168508	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"3M+2K"	77.926316
"1078820"	329.031608	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2K"	77.926316
"1112030"	659.070492	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2K+H"	78.933592
"1340758"	659.158107	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+DMSO+H"	79.021207
"1011475"	663.197276	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2ACN+H"	83.060376
"1527411"	664.190908	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+IsoProp+Na+H"	84.054008
"997144"	332.102276	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+2ACN+2H"	84.067652
"1594928"	665.105528	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+K+HCOOH"	84.968628
"1419493"	695.137038	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+H+CF3COOH"	115.000138
"1160359"	352.615551	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+3ACN+2H"	125.094202
"1711367"	712.163585	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+NH4+CF3COOH"	132.026685
"1649447"	717.11898	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+Na+CF3COOH"	136.98208
"1576106"	733.09292	"C10182"	"Sciadopitysin"	"C33H24O10"	"580.1369"	"M+K+CF3COOH"	152.95602
"806472"	374.1002	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M"	0
"977819"	355.08181	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-H2O-H"	-19.01839
"70435"	248.392857333333	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M-3H"	-3.021828
"506714"	373.092924	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M-3H"	-3.021828
"881236"	123.692790666667	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-3H"	-3.021828
"2727"	373.092924	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M-2H"	-2.014552
"449216"	560.143024	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M-2H"	-2.014552
"828111"	186.042824	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-2H"	-2.014552
"88104"	747.193124	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M-H"	-1.007276
"521113"	1121.293324	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M-H"	-1.007276
"903288"	373.092924	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-H"	-1.007276
"54385"	764.219671	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M-2H+NH4"	16.019271
"492850"	1138.319871	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M-2H+NH4"	16.019271
"870651"	390.119471	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-2H+NH4"	16.019271
"33812"	769.175066	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M-2H+Na"	20.974666
"482486"	1143.275266	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M-2H+Na"	20.974666
"862112"	395.074866	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-2H+Na"	20.974666
"1627634"	395.074866	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Na-2H"	20.974666
"104164"	391.081263	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M-H+Cl"	33.962126
"542631"	578.131363	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M-H+Cl"	33.962126
"939425"	204.031163	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-H+Cl"	33.962126
"275795"	783.169802	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+Cl"	34.969402
"672591"	1157.270002	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+Cl"	34.969402
"1281715"	409.069602	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Cl"	34.969402
"17710"	785.149006	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M-2H+K"	36.948606
"464932"	1159.249206	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M-2H+K"	36.948606
"834352"	411.048806	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-2H+K"	36.948606
"1560758"	411.048806	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+K-2H"	36.948606
"951920"	419.098394	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-H+HCOOH"	44.998194
"372322"	793.198601	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+HCOOH-H"	44.998201
"350008"	807.214251	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+Hac-H"	59.013851
"1501755"	433.114051	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Hac-H"	59.013851
"970389"	441.080351	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-H+NaCOOH"	66.980151
"121481"	409.069602	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+2Cl"	69.938804
"555574"	596.119702	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+2Cl"	69.938804
"1027653"	222.019502	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2Cl"	69.938804
"1242249"	453.019085	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Br"	78.918885
"1305062"	455.075072	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Cl+HCOOH"	80.974872
"1323899"	477.057029	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Cl+NaCOOH"	102.956829
"918239"	487.085786	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M-H+CF3COOH"	112.985586
"1301512"	523.062464	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Cl+CF3COOH"	148.962264
"1381501"	339.087524	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H-2H2O"	-35.012676
"1398266"	357.0975	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H-H2O"	-17.0027
"297588"	749.207676	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+H"	1.007276
"690983"	1123.307876	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+H"	1.007276
"1365265"	375.107476	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H"	1.007276
"138153"	375.107476	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+2H"	2.014552
"572609"	562.157576	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+2H"	2.014552
"1045783"	188.057376	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2H"	2.014552
"214777"	250.407409333333	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+3H"	3.021828
"655068"	375.107476	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+3H"	3.021828
"1169180"	125.707342666667	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+3H"	3.021828
"439026"	766.234223	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+NH4"	18.033823
"798201"	1140.334423	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+NH4"	18.033823
"1690884"	392.134023	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+NH4"	18.033823
"336975"	383.6207495	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+H+NH4"	19.041099
"728303"	570.6708495	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+H+NH4"	19.041099
"1485404"	196.5706495	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H+NH4"	19.041099
"396428"	771.189618	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+Na"	22.989218
"759612"	1145.289818	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+Na"	22.989218
"1609900"	397.089418	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Na"	22.989218
"319942"	386.098447	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+H+Na"	23.996494
"711634"	573.148547	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+H+Na"	23.996494
"1463994"	199.048347	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H+Na"	23.996494
"1059791"	133.034656666667	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2H+Na"	25.00377
"1261105"	407.133686	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+CH3OH+H"	33.033486
"379677"	787.163558	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+K"	38.963158
"741763"	1161.263758	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+K"	38.963158
"1542728"	413.063358	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+K"	38.963158
"301356"	394.085417	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+H+K"	39.970434
"694877"	581.135517	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+H+K"	39.970434
"1451613"	207.035317	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H+K"	39.970434
"248966"	790.234226	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+ACN+H"	42.033826
"1220584"	416.134026	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+ACN+H"	42.033826
"1200093"	208.570651	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+ACN+2H"	43.041102
"196244"	793.17156	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+2Na-H"	44.97116
"639083"	1167.27176	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+2Na-H"	44.97116
"1141495"	419.07136	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2Na-H"	44.97116
"181505"	397.089418	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+2Na"	45.978436
"623251"	584.139518	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+2Na"	45.978436
"1120198"	210.039318	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2Na"	45.978436
"1401534"	140.361970666667	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H+2Na"	46.985712
"1433651"	421.112946	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H+HCOOH"	47.012746
"223351"	402.12244	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+3H2O+2H"	56.04448
"1515789"	435.16499	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+IsoProp+H"	61.06479
"416571"	405.076388	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+Na+K"	61.952376
"776473"	592.126488	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+Na+K"	61.952376
"1679979"	218.026288	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Na+K"	61.952376
"261519"	812.216168	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+ACN+Na"	64.015768
"1233135"	438.115968	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+ACN+Na"	64.015768
"1719835"	438.139493	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+NH4+HCOOH"	64.039293
"1190656"	147.689284666667	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+3Na"	68.967654
"1658362"	443.094888	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Na+HCOOH"	68.994688
"163035"	825.11944	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+2K-H"	76.91904
"610248"	1199.21964	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+2K-H"	76.91904
"1093666"	451.01924	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2K-H"	76.91904
"152668"	413.063358	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"2M+2K"	77.926316
"594417"	600.113458	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"3M+2K"	77.926316
"1082210"	226.013258	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2K"	77.926316
"1113233"	453.033792	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2K+H"	78.933592
"1340868"	453.121407	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+DMSO+H"	79.021207
"1010493"	457.160576	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2ACN+H"	83.060376
"1528615"	458.154208	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+IsoProp+Na+H"	84.054008
"997254"	229.083926	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+2ACN+2H"	84.067652
"1597225"	459.068828	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+K+HCOOH"	84.968628
"1419603"	489.100338	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+H+CF3COOH"	115.000138
"1160832"	249.597201	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+3ACN+2H"	125.094202
"1711598"	506.126885	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+NH4+CF3COOH"	132.026685
"1649436"	511.08228	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+Na+CF3COOH"	136.98208
"1586057"	527.05622	"C10183"	"Scullcapflavone II"	"C19H18O8"	"374.1002"	"M+K+CF3COOH"	152.95602
"806582"	286.0477	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M"	0
"979022"	267.02931	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"70545"	189.691190666667	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"506824"	285.040424	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"882439"	94.3419573333333	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"6481"	285.040424	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"444950"	428.064274	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"824938"	142.016574	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"83836"	571.088124	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"520493"	857.135824	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"902305"	285.040424	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"54495"	588.114671	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"494053"	874.162371	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"870761"	302.066971	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"34287"	593.070066	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"482596"	879.117766	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"861492"	307.022366	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1627744"	307.022366	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"107554"	303.028763	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"542741"	446.052613	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"940265"	160.004913	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"276998"	607.064802	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"671608"	893.112502	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1285105"	321.017102	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"20007"	609.044006	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"463949"	895.091706	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"838473"	322.996306	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1563054"	322.996306	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"953854"	331.045894	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"375347"	617.093601	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"352305"	631.109251	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1505145"	345.061551	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"971593"	353.027851	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"121591"	321.017102	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"555684"	464.040952	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1027763"	177.993252	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1243697"	364.966585	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1304727"	367.022572	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1325102"	389.004529	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"916159"	399.033286	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1300529"	435.009964	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1382098"	251.035024	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1397891"	269.045	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"298062"	573.102676	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"687568"	859.150376	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1366103"	287.054976	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"138627"	287.054976	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"577459"	430.078826	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1048081"	144.031126	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"214886"	191.705742666667	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"656633"	287.054976	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1171478"	96.3565093333333	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"438408"	590.129223	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"799038"	876.176923	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1690994"	304.081523	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"335992"	295.5682495	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"728413"	438.5920995	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1485514"	152.5443995	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"393987"	595.084618	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"758629"	881.132318	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1609282"	309.036918	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"320052"	298.045947	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"711380"	441.069797	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1468479"	155.022097	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1059537"	103.683823333333	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1261215"	319.081186	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"383066"	611.058558	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"745153"	897.106258	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1542838"	325.010858	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"302559"	306.032917	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"695716"	449.056767	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1452816"	163.009067	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"249076"	614.129226	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1223973"	328.081526	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1204573"	164.544401	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"198541"	617.06656	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"639193"	903.11426	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1142698"	331.01886	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"181614"	309.036918	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"624454"	452.060768	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1119214"	166.013068	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1401643"	111.011137333333	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1432668"	333.060446	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"225648"	314.06994	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1515899"	347.11249	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"413400"	317.023888	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"773303"	460.047738	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1679482"	174.000038	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"262722"	636.111168	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1234338"	350.063468	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1719945"	350.086993	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1187486"	118.338451333333	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1658472"	355.042388	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"162051"	649.01444	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"603798"	935.06214	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1093776"	362.96674	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"151685"	325.010858	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"594527"	468.034708	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1079040"	181.987008	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1113343"	364.981292	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1343165"	365.068907	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1012789"	369.108076	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1530912"	370.101708	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"994081"	185.057676	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1598428"	371.016328	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1419713"	401.047838	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1159844"	205.570951	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1711466"	418.074385	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1647967"	423.02978	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1586167"	439.00372	"C10184"	"Scutellarein;Isocarthamidin;6-Hydroxyapigenin"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"806692"	316.0583	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M"	0
"979132"	297.03991	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"70655"	209.698257333333	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"506934"	315.051024	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"882548"	104.345490666667	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"5498"	315.051024	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"443965"	473.080174	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"823956"	157.021874	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"81759"	631.109324	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"527893"	947.167624	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"904602"	315.051024	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"54605"	648.135871	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"493070"	964.194171	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"871964"	332.077571	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"34397"	653.091266	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"483800"	969.149566	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"861602"	337.032966	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1627854"	337.032966	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"107664"	333.039363	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"542851"	491.068513	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"941468"	175.010213	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"276015"	667.086002	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"672811"	983.144302	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1281935"	351.027702	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"21211"	669.065206	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"467339"	985.123506	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"841865"	353.006906	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1565351"	353.006906	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"954693"	361.056494	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"373270"	677.114801	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"352415"	691.130451	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1507081"	375.072151	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"969516"	383.038451	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"118421"	351.027702	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"555794"	509.056852	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1024957"	192.998552	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1244536"	394.977185	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1304795"	397.033172	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1325941"	419.015129	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"914083"	429.043886	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1296264"	465.020564	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1382411"	281.045624	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1398123"	299.0556	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"298531"	633.123876	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"687678"	949.182176	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1364757"	317.065576	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"138373"	317.065576	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"577934"	475.094726	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1050014"	159.036426	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"214996"	211.712809333333	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"657109"	317.065576	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1172682"	106.360042666667	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"439123"	650.150423	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"799877"	966.208723	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1694020"	334.092123	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"342662"	325.5788495	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"728523"	483.6079995	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1487810"	167.5496995	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"395556"	655.105818	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"758739"	971.164118	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1609028"	339.047518	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"320157"	328.056547	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"713675"	486.085697	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1468586"	170.027397	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1061832"	113.687356666667	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1263511"	349.091786	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"382083"	671.079758	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"744169"	987.138058	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1546227"	355.021458	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"305585"	336.043517	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"698370"	494.072667	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1448552"	178.014367	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"246999"	674.150426	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1223963"	358.092126	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1204683"	179.549701	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"203025"	677.08776	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"637116"	993.14606	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1141715"	361.02946	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"179538"	339.047518	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"623471"	497.076668	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1117258"	181.018368	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1400660"	121.014670666667	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1433871"	363.071046	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"226850"	344.08054	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1518194"	377.12309	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"416791"	347.034488	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"782525"	505.063638	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1679591"	189.005338	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"259553"	696.132368	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1232262"	380.074068	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1720055"	380.097593	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1185410"	128.341984666667	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1658582"	385.052988	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"164348"	709.03564	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"609375"	1025.09394	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1096073"	392.97734	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"152888"	355.021458	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"591355"	513.050608	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1075870"	196.992308	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1111265"	394.991892	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1342181"	395.079507	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1013992"	399.118676	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1532116"	400.112308	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"993098"	200.062976	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1598538"	401.026928	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1419823"	431.058438	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1159954"	220.576251	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1712061"	448.084985	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1649535"	453.04038	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1586277"	469.01432	"C10185"	"Sexangularetin;Herbacetin 8-methyl ether"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"806802"	372.1209	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M"	0
"978149"	353.10251	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H2O-H"	-19.01839
"69672"	247.073324	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-3H"	-3.021828
"507044"	371.113624	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-3H"	-3.021828
"883751"	123.033024	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-3H"	-3.021828
"5608"	371.113624	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H"	-2.014552
"444075"	557.174074	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H"	-2.014552
"825159"	185.053174	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H"	-2.014552
"80776"	743.234524	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-H"	-1.007276
"524722"	1115.355424	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-H"	-1.007276
"902519"	371.113624	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H"	-1.007276
"56901"	760.261071	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H+NH4"	16.019271
"494273"	1132.381971	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H+NH4"	16.019271
"872074"	388.140171	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H+NH4"	16.019271
"36693"	765.216466	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H+Na"	20.974666
"485003"	1137.337366	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H+Na"	20.974666
"861712"	393.095566	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H+Na"	20.974666
"1627964"	393.095566	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na-2H"	20.974666
"105587"	389.101963	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-H+Cl"	33.962126
"539681"	575.162413	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-H+Cl"	33.962126
"936475"	203.041513	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+Cl"	33.962126
"277218"	779.211202	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Cl"	34.969402
"674014"	1151.332102	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+Cl"	34.969402
"1282045"	407.090302	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl"	34.969402
"21321"	781.190406	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H+K"	36.948606
"468542"	1153.311306	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H+K"	36.948606
"844162"	409.069506	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H+K"	36.948606
"1565461"	409.069506	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K-2H"	36.948606
"953710"	417.119094	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+HCOOH"	44.998194
"373744"	789.240001	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+HCOOH-H"	44.998201
"352525"	803.255651	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Hac-H"	59.013851
"1506825"	431.134751	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Hac-H"	59.013851
"969626"	439.101051	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+NaCOOH"	66.980151
"118531"	407.090302	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2Cl"	69.938804
"555904"	593.150752	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2Cl"	69.938804
"1027983"	221.029852	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2Cl"	69.938804
"1246469"	451.039785	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Br"	78.918885
"1304220"	453.095772	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl+HCOOH"	80.974872
"1320947"	475.077729	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl+NaCOOH"	102.956829
"911376"	485.106486	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+CF3COOH"	112.985586
"1296374"	521.083164	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl+CF3COOH"	148.962264
"1382603"	337.108224	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H-2H2O"	-35.012676
"1396044"	355.1182	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H-H2O"	-17.0027
"297553"	745.249076	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H"	1.007276
"687788"	1117.369976	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H"	1.007276
"1363771"	373.128176	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H"	1.007276
"137754"	373.128176	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2H"	2.014552
"579138"	559.188626	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2H"	2.014552
"1052312"	187.067726	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2H"	2.014552
"215106"	249.087876	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+3H"	3.021828
"655760"	373.128176	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+3H"	3.021828
"1171698"	125.047576	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+3H"	3.021828
"436800"	762.275623	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+NH4"	18.033823
"799622"	1134.396523	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+NH4"	18.033823
"1693037"	390.154723	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+NH4"	18.033823
"342408"	381.6414495	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H+NH4"	19.041099
"733006"	567.7018995	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H+NH4"	19.041099
"1486827"	195.5809995	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+NH4"	19.041099
"396760"	767.231018	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Na"	22.989218
"756662"	1139.351918	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+Na"	22.989218
"1606947"	395.110118	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na"	22.989218
"316982"	384.119147	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H+Na"	23.996494
"712689"	570.179597	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H+Na"	23.996494
"1469789"	198.058697	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+Na"	23.996494
"1064128"	132.37489	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2H+Na"	25.00377
"1265806"	405.154386	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+CH3OH+H"	33.033486
"380006"	783.204958	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+K"	38.963158
"740999"	1155.325858	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+K"	38.963158
"1546337"	411.084058	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K"	38.963158
"302416"	392.106117	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H+K"	39.970434
"695930"	578.166567	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H+K"	39.970434
"1447568"	206.045667	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+K"	39.970434
"247109"	786.275626	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+ACN+H"	42.033826
"1224560"	414.154726	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+ACN+H"	42.033826
"1202607"	207.581001	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+ACN+2H"	43.041102
"202287"	789.21296	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2Na-H"	44.97116
"637226"	1161.33386	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2Na-H"	44.97116
"1141461"	417.09206	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2Na-H"	44.97116
"179648"	395.110118	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2Na"	45.978436
"622124"	581.170568	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2Na"	45.978436
"1118340"	209.049668	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2Na"	45.978436
"1399677"	139.702204	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+2Na"	46.985712
"1433981"	419.133646	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+HCOOH"	47.012746
"225867"	400.14314	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+3H2O+2H"	56.04448
"1518304"	433.18569	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+IsoProp+H"	61.06479
"412527"	403.097088	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Na+K"	61.952376
"780083"	589.157538	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+Na+K"	61.952376
"1672045"	217.036638	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na+K"	61.952376
"259663"	808.257568	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+ACN+Na"	64.015768
"1234558"	436.136668	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+ACN+Na"	64.015768
"1721258"	436.160193	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+NH4+HCOOH"	64.039293
"1184426"	147.029518	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+3Na"	68.967654
"1658692"	441.115588	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na+HCOOH"	68.994688
"164457"	821.16084	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2K-H"	76.91904
"609485"	1193.28174	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2K-H"	76.91904
"1097276"	449.03994	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2K-H"	76.91904
"152998"	411.084058	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2K"	77.926316
"590372"	597.144508	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2K"	77.926316
"1075980"	225.023608	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2K"	77.926316
"1111375"	451.054492	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2K+H"	78.933592
"1341198"	451.142107	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+DMSO+H"	79.021207
"1015195"	455.181276	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2ACN+H"	83.060376
"1532226"	456.174908	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+IsoProp+Na+H"	84.054008
"995393"	228.094276	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2ACN+2H"	84.067652
"1598648"	457.089528	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K+HCOOH"	84.968628
"1419933"	487.121038	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+CF3COOH"	115.000138
"1158971"	248.607551	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+3ACN+2H"	125.094202
"1711807"	504.147585	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+NH4+CF3COOH"	132.026685
"1649605"	509.10298	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na+CF3COOH"	136.98208
"1586387"	525.07692	"C10186"	"Sinensetin;56734-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K+CF3COOH"	152.95602
"806912"	462.1162	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M"	0
"978259"	443.09781	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-H2O-H"	-19.01839
"69782"	307.070190666667	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M-3H"	-3.021828
"509341"	461.108924	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M-3H"	-3.021828
"886049"	153.031457333333	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-3H"	-3.021828
"4625"	461.108924	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M-2H"	-2.014552
"445279"	692.167024	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M-2H"	-2.014552
"825269"	230.050824	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-2H"	-2.014552
"84166"	923.225124	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M-H"	-1.007276
"523739"	1385.341324	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M-H"	-1.007276
"900443"	461.108924	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-H"	-1.007276
"59197"	940.251671	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M-2H+NH4"	16.019271
"495476"	1402.367871	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M-2H+NH4"	16.019271
"872184"	478.135471	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-2H+NH4"	16.019271
"37897"	945.207066	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M-2H+Na"	20.974666
"482926"	1407.323266	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M-2H+Na"	20.974666
"861458"	483.090866	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-2H+Na"	20.974666
"1630261"	483.090866	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Na-2H"	20.974666
"102417"	479.097263	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M-H+Cl"	33.962126
"546351"	710.155363	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M-H+Cl"	33.962126
"936585"	248.039163	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-H+Cl"	33.962126
"279515"	959.201802	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+Cl"	34.969402
"670844"	1421.318002	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+Cl"	34.969402
"1283248"	497.085602	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Cl"	34.969402
"21431"	961.181006	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M-2H+K"	36.948606
"459901"	1423.297206	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M-2H+K"	36.948606
"840986"	499.064806	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-2H+K"	36.948606
"1563384"	499.064806	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+K-2H"	36.948606
"949441"	507.114394	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-H+HCOOH"	44.998194
"370574"	969.230601	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+HCOOH-H"	44.998201
"352634"	983.246251	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+Hac-H"	59.013851
"1504382"	521.130051	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Hac-H"	59.013851
"969736"	529.096351	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-H+NaCOOH"	66.980151
"121921"	497.085602	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+2Cl"	69.938804
"559294"	728.143702	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+2Cl"	69.938804
"1026270"	266.027502	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2Cl"	69.938804
"1245850"	541.035085	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Br"	78.918885
"1304655"	543.091072	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Cl+HCOOH"	80.974872
"1320206"	565.073029	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Cl+NaCOOH"	102.956829
"911988"	575.101786	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M-H+CF3COOH"	112.985586
"1295391"	611.078464	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Cl+CF3COOH"	148.962264
"1382512"	427.103524	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H-2H2O"	-35.012676
"1395790"	445.1135	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H-H2O"	-17.0027
"297298"	925.239676	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+H"	1.007276
"687898"	1387.355876	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+H"	1.007276
"1365706"	463.123476	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H"	1.007276
"140052"	463.123476	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+2H"	2.014552
"577061"	694.181576	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+2H"	2.014552
"1045860"	232.065376	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2H"	2.014552
"218132"	309.084742666667	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+3H"	3.021828
"658426"	463.123476	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+3H"	3.021828
"1174727"	155.046009333333	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+3H"	3.021828
"431805"	942.266223	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+NH4"	18.033823
"789519"	1404.382423	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+NH4"	18.033823
"1693510"	480.150023	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+NH4"	18.033823
"342154"	471.6367495	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+H+NH4"	19.041099
"734209"	702.6948495	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+H+NH4"	19.041099
"1490217"	240.5786495	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H+NH4"	19.041099
"395776"	947.221618	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+Na"	22.989218
"756772"	1409.337818	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+Na"	22.989218
"1608150"	485.105418	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Na"	22.989218
"319278"	474.114447	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+H+Na"	23.996494
"710605"	705.172547	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+H+Na"	23.996494
"1468806"	243.056347	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H+Na"	23.996494
"1062051"	162.373323333333	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2H+Na"	25.00377
"1258989"	495.149686	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+CH3OH+H"	33.033486
"379023"	963.195558	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+K"	38.963158
"741473"	1425.311758	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+K"	38.963158
"1547540"	501.079358	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+K"	38.963158
"302891"	482.101417	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+H+K"	39.970434
"697133"	713.159517	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+H+K"	39.970434
"1449865"	251.043317	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H+K"	39.970434
"247218"	966.266226	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+ACN+H"	42.033826
"1223577"	504.150026	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+ACN+H"	42.033826
"1202717"	252.578651	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+ACN+2H"	43.041102
"201423"	969.20356	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+2Na-H"	44.97116
"635149"	1431.31976	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+2Na-H"	44.97116
"1138655"	507.08736	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2Na-H"	44.97116
"179758"	485.105418	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+2Na"	45.978436
"618225"	716.163518	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+2Na"	45.978436
"1119543"	254.047318	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2Na"	45.978436
"1404889"	169.700637333333	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H+2Na"	46.985712
"1432268"	509.128946	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H+HCOOH"	47.012746
"231445"	490.13844	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+3H2O+2H"	56.04448
"1519507"	523.18099	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+IsoProp+H"	61.06479
"418105"	493.092388	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+Na+K"	61.952376
"775821"	724.150488	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+Na+K"	61.952376
"1678353"	262.034288	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Na+K"	61.952376
"260866"	988.248168	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+ACN+Na"	64.015768
"1235761"	526.131968	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+ACN+Na"	64.015768
"1716265"	526.155493	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+NH4+HCOOH"	64.039293
"1183442"	177.027951333333	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+3Na"	68.967654
"1659894"	531.110888	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Na+HCOOH"	68.994688
"165662"	1001.15144	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+2K-H"	76.91904
"605220"	1463.26764	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+2K-H"	76.91904
"1094106"	539.03524	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2K-H"	76.91904
"154811"	501.079358	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"2M+2K"	77.926316
"588295"	732.137458	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"3M+2K"	77.926316
"1081436"	270.021258	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2K"	77.926316
"1109298"	541.049792	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2K+H"	78.933592
"1346779"	541.137407	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+DMSO+H"	79.021207
"1012026"	545.176576	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2ACN+H"	83.060376
"1529059"	546.170208	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+IsoProp+Na+H"	84.054008
"992226"	273.091926	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+2ACN+2H"	84.067652
"1595478"	547.084828	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+K+HCOOH"	84.968628
"1420045"	577.116338	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+H+CF3COOH"	115.000138
"1156896"	293.605201	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+3ACN+2H"	125.094202
"1710822"	594.142885	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+NH4+CF3COOH"	132.026685
"1648660"	599.09828	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+Na+CF3COOH"	136.98208
"1586497"	615.07222	"C10187"	"Swertiajaponin"	"C22H22O11"	"462.1162"	"M+K+CF3COOH"	152.95602
"807022"	316.0583	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M"	0
"980556"	297.03991	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"72079"	209.698257333333	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"509451"	315.051024	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"886159"	104.345490666667	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"3641"	315.051024	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"446483"	473.080174	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"825379"	157.021874	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"86463"	631.109324	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"520081"	947.167624	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"900553"	315.051024	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"53838"	648.135871	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"492305"	964.194171	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"869014"	332.077571	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"39101"	653.091266	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"479756"	969.149566	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"861568"	337.032966	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1629278"	337.032966	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"102526"	333.039363	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"535038"	491.068513	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"930135"	175.010213	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"277438"	667.086002	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"660215"	983.144302	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1272981"	351.027702	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"20448"	669.065206	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"457579"	985.123506	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"840731"	353.006906	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1561307"	353.006906	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"948092"	361.056494	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"369591"	677.114801	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"353474"	691.130451	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1501212"	375.072151	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"967660"	383.038451	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"118752"	351.027702	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"555395"	509.056852	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1026016"	192.998552	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1247053"	394.977185	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1308408"	397.033172	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1320273"	419.015129	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"913682"	429.043886	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1295501"	465.020564	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1381930"	281.045624	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1396264"	299.0556	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"294128"	633.123876	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"688008"	949.182176	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1366181"	317.065576	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"141246"	317.065576	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"581146"	475.094726	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1050709"	159.036426	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"217515"	211.712809333333	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"657805"	317.065576	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1170828"	106.360042666667	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"430822"	650.150423	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"789629"	966.208723	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1694346"	334.092123	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"340804"	325.5788495	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"735412"	483.6079995	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1484858"	167.5496995	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"393454"	655.105818	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"759069"	971.164118	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1607167"	339.047518	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"316474"	328.056547	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"709623"	486.085697	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1470009"	170.027397	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1062161"	113.687356666667	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1259464"	349.091786	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"382413"	671.079758	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"744500"	987.138058	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1544371"	355.021458	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"304824"	336.043517	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"696153"	494.072667	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1455443"	178.014367	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"242951"	674.150426	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1220035"	358.092126	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1203921"	179.549701	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"198977"	677.08776	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"642548"	993.14606	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1140952"	361.02946	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"182055"	339.047518	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"621979"	497.076668	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1125485"	181.018368	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1407188"	121.014670666667	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1434928"	363.071046	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"231554"	344.08054	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1519983"	377.12309	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"418940"	347.034488	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"778481"	505.063638	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1668983"	189.005338	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"262069"	696.132368	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1232591"	380.074068	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1720384"	380.097593	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1184644"	128.341984666667	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1657816"	385.052988	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"165771"	709.03564	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"605330"	1025.09394	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1094216"	392.97734	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"152126"	355.021458	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"585125"	513.050608	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1078387"	196.992308	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1109408"	394.991892	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1345796"	395.079507	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1011043"	399.118676	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1529169"	400.112308	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"993429"	200.062976	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1595588"	401.026928	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1420155"	431.058438	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1155912"	220.576251	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1705463"	448.084985	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1642210"	453.04038	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1586607"	469.01432	"C10188"	"Tamarixetin;Quercetin 4-methyl ether"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"812602"	344.0896	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M"	0
"975564"	325.07121	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"64900"	228.385790666667	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"504823"	343.082324	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"884086"	113.689257333333	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"10314"	343.082324	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"447687"	515.127124	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"827678"	171.037524	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"88761"	687.171924	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"527231"	1031.261524	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"900663"	343.082324	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"53948"	704.198471	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"492412"	1048.288071	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"872404"	360.108871	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"39211"	709.153866	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"480959"	1053.243466	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"861678"	365.064266	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1630481"	365.064266	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"99356"	361.070663	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"536730"	533.115463	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"936806"	189.025863	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"279009"	723.148602	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"661950"	1067.238202	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1274719"	379.059002	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"22746"	725.127806	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"457934"	1069.217406	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"840841"	381.038206	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1564696"	381.038206	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"950754"	389.087794	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"368608"	733.177401	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"353584"	747.193051	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1504603"	403.103451	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"966678"	411.069751	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"118863"	379.059002	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"559516"	551.103802	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1030501"	207.014202	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1248986"	423.008485	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1309612"	425.064472	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1321640"	447.046429	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"914156"	457.075186	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1295611"	493.051864	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1381065"	309.076924	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1396738"	327.0869	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"291687"	689.186476	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"688118"	1033.276076	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1364468"	345.096876	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"138450"	345.096876	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"581358"	517.141676	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1051184"	173.052076	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"217258"	230.400342666667	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"658403"	345.096876	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1168751"	115.703809333333	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"433117"	706.213023	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"790832"	1050.302623	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1692634"	362.123423	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"342007"	353.6101495	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"733336"	525.6549495	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1483875"	181.5653495	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"398183"	711.168418	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"758086"	1055.258018	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1607277"	367.078818	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"315855"	356.087847	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"708763"	528.132647	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1466838"	184.043047	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1058990"	123.031123333333	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1258480"	377.123086	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"382523"	727.142358	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"744610"	1071.231958	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1544481"	383.052758	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"304936"	364.074817	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"696263"	536.119617	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1452272"	192.030017	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"243060"	730.213026	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1219052"	386.123426	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1201839"	193.565351	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"195808"	733.15036	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"639740"	1077.23996	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1138874"	389.06076	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"185444"	367.078818	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"619537"	539.123618	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1121950"	195.034018	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1409481"	130.358437333333	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1435402"	391.102346	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"232397"	372.11184	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1519364"	405.15439	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"417594"	375.065788	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"780777"	547.110588	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1670186"	203.020988	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"262179"	752.194968	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1235980"	408.105368	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1722680"	408.128893	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1188033"	137.685751333333	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1659019"	413.084288	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"169161"	765.09824	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"606534"	1109.18784	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1098216"	421.00864	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"153330"	383.052758	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"591796"	555.097558	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1082998"	211.007958	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1112800"	423.023192	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1343717"	423.110807	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1013339"	427.149976	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1527091"	428.143608	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"994631"	214.078626	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1596791"	429.058228	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1416984"	459.089738	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1159302"	234.591901	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1705573"	476.116285	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1644506"	481.07168	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1586717"	497.04562	"C10189"	"Tambulin;Herbacetin 784-trimethyl ether"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"803966"	372.1209	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M"	0
"977497"	353.10251	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H2O-H"	-19.01839
"63674"	247.073324	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-3H"	-3.021828
"507485"	371.113624	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-3H"	-3.021828
"884196"	123.033024	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-3H"	-3.021828
"9331"	371.113624	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H"	-2.014552
"447797"	557.174074	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H"	-2.014552
"827787"	185.053174	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H"	-2.014552
"86684"	743.234524	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-H"	-1.007276
"521874"	1115.355424	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-H"	-1.007276
"899680"	371.113624	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H"	-1.007276
"54058"	760.261071	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H+NH4"	16.019271
"493615"	1132.381971	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H+NH4"	16.019271
"868139"	388.140171	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H+NH4"	16.019271
"39321"	765.216466	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H+Na"	20.974666
"481069"	1137.337366	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H+Na"	20.974666
"862153"	393.095566	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H+Na"	20.974666
"1631684"	393.095566	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na-2H"	20.974666
"99466"	389.101963	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-H+Cl"	33.962126
"536840"	575.162413	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-H+Cl"	33.962126
"933636"	203.041513	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+Cl"	33.962126
"278754"	779.211202	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Cl"	34.969402
"661453"	1151.332102	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+Cl"	34.969402
"1273368"	407.090302	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl"	34.969402
"20668"	781.190406	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M-2H+K"	36.948606
"458408"	1153.311306	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M-2H+K"	36.948606
"839857"	409.069506	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-2H+K"	36.948606
"1565899"	409.069506	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K-2H"	36.948606
"947948"	417.119094	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+HCOOH"	44.998194
"370904"	789.240001	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+HCOOH-H"	44.998201
"352601"	803.255651	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Hac-H"	59.013851
"1503255"	431.134751	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Hac-H"	59.013851
"964599"	439.101051	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+NaCOOH"	66.980151
"114597"	407.090302	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2Cl"	69.938804
"557073"	593.150752	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2Cl"	69.938804
"1029518"	221.029852	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2Cl"	69.938804
"1249096"	451.039785	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Br"	78.918885
"1309722"	453.095772	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl+HCOOH"	80.974872
"1322845"	475.077729	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl+NaCOOH"	102.956829
"914629"	485.106486	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M-H+CF3COOH"	112.985586
"1295720"	521.083164	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Cl+CF3COOH"	148.962264
"1381905"	337.108224	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H-2H2O"	-35.012676
"1393933"	355.1182	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H-H2O"	-17.0027
"288881"	745.249076	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H"	1.007276
"685312"	1117.369976	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H"	1.007276
"1361297"	373.128176	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H"	1.007276
"135280"	373.128176	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2H"	2.014552
"579214"	559.188626	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2H"	2.014552
"1046555"	187.067726	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2H"	2.014552
"217367"	249.087876	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+3H"	3.021828
"658028"	373.128176	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+3H"	3.021828
"1176514"	125.047576	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+3H"	3.021828
"434320"	762.275623	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+NH4"	18.033823
"789849"	1134.396523	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+NH4"	18.033823
"1687275"	390.154723	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+NH4"	18.033823
"342117"	381.6414495	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H+NH4"	19.041099
"731259"	567.7018995	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H+NH4"	19.041099
"1480704"	195.5809995	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+NH4"	19.041099
"397200"	767.231018	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Na"	22.989218
"756373"	1139.351918	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+Na"	22.989218
"1604835"	395.110118	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na"	22.989218
"315600"	384.119147	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H+Na"	23.996494
"710936"	570.179597	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H+Na"	23.996494
"1466949"	198.058697	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+Na"	23.996494
"1059100"	132.37489	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2H+Na"	25.00377
"1258955"	405.154386	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+CH3OH+H"	33.033486
"381539"	783.204958	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+K"	38.963158
"744720"	1155.325858	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+K"	38.963158
"1543498"	411.084058	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K"	38.963158
"305046"	392.106117	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+H+K"	39.970434
"695280"	578.166567	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+H+K"	39.970434
"1450196"	206.045667	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+K"	39.970434
"243170"	786.275626	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+ACN+H"	42.033826
"1218069"	414.154726	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+ACN+H"	42.033826
"1203042"	207.581001	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+ACN+2H"	43.041102
"195916"	789.21296	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2Na-H"	44.97116
"638757"	1161.33386	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2Na-H"	44.97116
"1138985"	417.09206	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2Na-H"	44.97116
"183368"	395.110118	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2Na"	45.978436
"620741"	581.170568	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2Na"	45.978436
"1123154"	209.049668	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2Na"	45.978436
"1409230"	139.702204	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+2Na"	46.985712
"1434419"	419.133646	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+HCOOH"	47.012746
"233967"	400.14314	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+3H2O+2H"	56.04448
"1520932"	433.18569	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+IsoProp+H"	61.06479
"423052"	403.097088	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+Na+K"	61.952376
"785144"	589.157538	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+Na+K"	61.952376
"1671389"	217.036638	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na+K"	61.952376
"264474"	808.257568	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+ACN+Na"	64.015768
"1237185"	436.136668	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+ACN+Na"	64.015768
"1722790"	436.160193	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+NH4+HCOOH"	64.039293
"1190331"	147.029518	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+3Na"	68.967654
"1663504"	441.115588	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na+HCOOH"	68.994688
"169272"	821.16084	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2K-H"	76.91904
"606644"	1193.28174	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2K-H"	76.91904
"1098689"	449.03994	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2K-H"	76.91904
"156480"	411.084058	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"2M+2K"	77.926316
"595187"	597.144508	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"3M+2K"	77.926316
"1081886"	225.023608	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2K"	77.926316
"1107444"	451.054492	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2K+H"	78.933592
"1343827"	451.142107	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+DMSO+H"	79.021207
"1014542"	455.181276	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2ACN+H"	83.060376
"1531576"	456.174908	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+IsoProp+Na+H"	84.054008
"994741"	228.094276	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+2ACN+2H"	84.067652
"1595808"	457.089528	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K+HCOOH"	84.968628
"1417094"	487.121038	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+H+CF3COOH"	115.000138
"1159412"	248.607551	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+3ACN+2H"	125.094202
"1712124"	504.147585	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+NH4+CF3COOH"	132.026685
"1645710"	509.10298	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+Na+CF3COOH"	136.98208
"1580266"	525.07692	"C10190"	"Tangeretin;56784-Pentamethoxyflavone"	"C20H20O7"	"372.1209"	"M+K+CF3COOH"	152.95602
"809544"	360.0845	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M"	0
"978702"	341.06611	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"69132"	239.049057333333	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"508689"	359.077224	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"890868"	119.020890666667	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"12361"	359.077224	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"449000"	539.119474	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"830084"	179.034974	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"86794"	719.161724	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"524170"	1079.246224	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"901978"	359.077224	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"56354"	736.188271	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"488379"	1096.272771	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"869343"	376.103771	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"39431"	741.143666	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"484097"	1101.228166	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"862263"	381.059166	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1632524"	381.059166	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"102856"	377.065563	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"536950"	557.107813	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"937026"	197.023313	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"278864"	755.138402	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"661563"	1115.222902	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1274087"	395.053902	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"20778"	757.117606	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"461434"	1117.202106	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"840332"	397.033106	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1566009"	397.033106	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"947330"	405.082694	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"373202"	765.167201	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"354898"	779.182851	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1502636"	419.098351	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"961063"	427.064651	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"113250"	395.053902	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"558643"	575.096152	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1031815"	215.011652	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1245927"	439.003385	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1308374"	441.059372	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1324049"	463.041329	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"912919"	473.070086	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1298019"	509.046764	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1377641"	325.071824	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1393679"	343.0818	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"291543"	721.176276	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"685058"	1081.260776	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1361407"	361.091776	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"137577"	361.091776	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"576044"	541.134026	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1046301"	181.049526	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"217113"	241.063609333333	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"656677"	361.091776	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1171157"	121.035442666667	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"432244"	738.202823	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"791052"	1098.287323	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1688478"	378.118323	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"342226"	369.6050495	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"731370"	549.6472995	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1489198"	189.5627995	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"397310"	743.158218	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"760495"	1103.242718	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1607498"	383.073718	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"317535"	372.082747	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"711050"	552.124997	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1469974"	192.040497	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1059208"	128.362756666667	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1268177"	393.117986	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"386751"	759.132158	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"743739"	1119.216658	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1544700"	399.047658	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"302966"	380.069717	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"694659"	560.111967	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1450306"	200.027467	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"240001"	762.202826	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1215993"	402.118326	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1198781"	201.562801	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"194932"	765.14016	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"635586"	1125.22466	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1141282"	405.05566	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"179104"	383.073718	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"621217"	563.115968	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1122172"	203.031468	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1406424"	135.690070666667	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1438540"	407.097246	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"229330"	388.10674	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1516663"	421.14929	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"423042"	391.060688	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"783914"	571.102938	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1674780"	211.018438	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"263490"	784.184768	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1239483"	424.100268	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1726910"	424.123793	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1191533"	143.017384666667	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1664344"	429.079188	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"171935"	797.08804	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"611736"	1157.17254	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1099655"	437.00354	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"156591"	399.047658	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"596273"	579.089908	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1080905"	219.005408	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1109741"	439.018092	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1345031"	439.105707	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1013559"	443.144876	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1530593"	444.138508	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"995945"	222.076076	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1595918"	445.053128	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1423765"	475.084638	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1159523"	242.589351	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1707980"	492.111185	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1646914"	497.06658	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1580376"	513.04052	"C10191"	"Thymonin"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"809653"	302.0427	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M"	0
"977718"	283.02431	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"68148"	200.354524	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"507708"	301.035424	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"882230"	99.673624	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"4085"	301.035424	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"448019"	452.056774	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"825821"	150.014074	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"83623"	603.078124	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"519908"	905.120824	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"899901"	301.035424	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"54278"	620.104671	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"487759"	922.147371	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"867266"	318.061971	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"35167"	625.060066	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"483478"	927.102766	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"862008"	323.017366	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1628626"	323.017366	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"99687"	319.023763	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"540340"	470.045113	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"933856"	168.002413	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"272414"	639.054802	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"668113"	941.097502	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1275050"	337.012102	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"15763"	641.034006	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"458264"	943.076706	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"839349"	338.991306	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1565026"	338.991306	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"948534"	347.040894	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"373312"	649.083601	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"355008"	663.099251	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1500559"	361.056551	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"961904"	369.022851	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"113361"	337.012102	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"556567"	488.033452	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1026823"	185.990752	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1241904"	380.961585	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1305932"	383.017572	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1320190"	404.999529	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"911935"	415.028286	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1297036"	451.004964	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1378115"	267.030024	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1394517"	285.04	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"293840"	605.092676	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"685168"	907.135376	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1363340"	303.049976	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"138780"	303.049976	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"576518"	454.071326	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1045683"	152.028626	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"217226"	202.369076	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"657151"	303.049976	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1174183"	101.688176	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"431261"	622.119223	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"790065"	924.161923	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1688588"	320.076523	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"337961"	311.5632495	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"732573"	462.5845995	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1489672"	160.5418995	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"397420"	627.074618	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"759876"	929.117318	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1607242"	325.031918	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"316186"	314.040947	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"710067"	465.062297	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1461860"	163.019597	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1053850"	109.01549	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1265371"	335.076186	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"383945"	643.048558	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"744941"	945.091258	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1541528"	341.005858	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"300525"	322.027917	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"692945"	473.049267	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1447863"	171.006567	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"239018"	646.119226	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1211729"	344.076526	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1196704"	172.541901	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"192855"	649.05656	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"634604"	951.09926	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1137016"	347.01386	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"180305"	325.031918	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"619868"	476.053268	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1117056"	174.010568	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1401429"	116.342804	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1433546"	349.055446	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"224335"	330.06494	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1510213"	363.10749	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"423882"	333.018888	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"783295"	484.040238	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1674890"	181.997538	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"263600"	668.101168	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1238496"	366.058468	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1725194"	366.081993	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1189456"	123.670118	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1662629"	371.037388	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"168398"	681.00444	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"602490"	983.04714	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1096843"	378.96174	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"153659"	341.005858	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"594314"	492.027208	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1077734"	189.984508	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1109851"	380.976292	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1345142"	381.063907	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1013670"	385.103076	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1530703"	386.096708	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"993869"	193.055176	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1594935"	387.011328	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1417314"	417.042838	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1153072"	213.568451	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1702622"	434.069385	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1644835"	439.02478	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1577206"	454.99872	"C10192"	"Tricetin;57345-Pentahydroxyflavone"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"815230"	330.074	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M"	0
"977829"	311.05561	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"70446"	219.042057333333	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"508911"	329.066724	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"882703"	109.017390666667	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"5288"	329.066724	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"451409"	494.103724	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"827027"	164.029724	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"83733"	659.140724	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"526576"	989.214724	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"896729"	329.066724	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"48908"	676.167271	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"489922"	1006.241271	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"870656"	346.093271	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"34182"	681.122666	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"486140"	1011.196666	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"860295"	351.048666	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1628736"	351.048666	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"99797"	347.055063	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"537170"	512.092063	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"932873"	182.018063	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"272524"	695.117402	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"668223"	1025.191402	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1275160"	365.043402	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"15891"	697.096606	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"458738"	1027.170606	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"837273"	367.022606	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1566230"	367.022606	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"947551"	375.072194	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"373422"	705.146201	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"352932"	719.161851	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1499576"	389.087851	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"964930"	397.054151	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"116388"	365.043402	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"557771"	530.080402	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1029121"	200.006402	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1242500"	408.992885	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1306770"	411.048872	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1322081"	433.030829	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"914230"	443.059586	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1293866"	479.036264	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1377496"	295.061324	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1393898"	313.0713	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"292491"	661.155276	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"688558"	991.229276	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1364908"	331.081276	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H"	1.007276
"137068"	331.081276	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"574805"	496.118276	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1049073"	166.044276	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"215512"	221.056609333333	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"654344"	331.081276	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1174657"	111.031942666667	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"431371"	678.181823	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"790175"	1008.255823	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1686512"	348.107823	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"338071"	339.5945495	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"734870"	504.6315495	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1490877"	174.5575495	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"398622"	683.137218	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"759616"	1013.211218	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1606988"	353.063218	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"317024"	342.072247	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"710905"	507.109247	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1465091"	177.035247	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1054081"	118.359256666667	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1265481"	363.107486	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"386242"	699.111158	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"739703"	1029.185158	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1542366"	369.037158	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+K"	38.963158
"301364"	350.059217	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"693055"	515.096217	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1447973"	185.022217	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"240585"	702.181826	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1215118"	372.107826	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1199000"	186.557551	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"195154"	705.11916	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"636898"	1035.19316	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1138220"	375.04516	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"178229"	353.063218	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"618885"	518.100218	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1119109"	188.026218	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1399474"	125.686570666667	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1430497"	377.086746	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"224446"	358.09624	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1510323"	391.13879	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"424076"	361.050188	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"784013"	526.087188	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1676093"	196.013188	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"264803"	724.163768	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1235325"	394.089768	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1725304"	394.113293	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1191753"	133.013884666667	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1662380"	399.068688	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"166320"	737.06704	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"606974"	1067.14104	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1096953"	406.99304	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"153769"	369.037158	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"595883"	534.074158	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1081124"	204.000158	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1112875"	409.007592	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1346345"	409.095207	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1014873"	413.134376	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1530812"	414.128008	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"993979"	207.070826	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1597231"	415.042628	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1417424"	445.074138	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1153182"	227.584101	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1702732"	462.100685	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1647134"	467.05608	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1578409"	483.03002	"C10193"	"Tricin;Tricetin 35-di-methyl ether;35-O-Dimethyltricetin"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"813153"	368.0896	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M"	0
"983406"	349.07121	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-H2O-H"	-19.01839
"68368"	244.385790666667	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M-3H"	-3.021828
"505742"	367.082324	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M-3H"	-3.021828
"887918"	121.689257333333	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-3H"	-3.021828
"2118"	367.082324	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M-2H"	-2.014552
"451519"	551.127124	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M-2H"	-2.014552
"826043"	183.037524	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-2H"	-2.014552
"86030"	735.171924	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M-H"	-1.007276
"527779"	1103.261524	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M-H"	-1.007276
"896471"	367.082324	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-H"	-1.007276
"48656"	752.198471	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M-2H+NH4"	16.019271
"490400"	1120.288071	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M-2H+NH4"	16.019271
"866017"	384.108871	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-2H+NH4"	16.019271
"32588"	757.153866	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M-2H+Na"	20.974666
"483697"	1125.243466	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M-2H+Na"	20.974666
"860041"	389.064266	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-2H+Na"	20.974666
"1631033"	389.064266	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Na-2H"	20.974666
"96627"	385.070663	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M-H+Cl"	33.962126
"540560"	569.115463	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M-H+Cl"	33.962126
"936263"	201.025863	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-H+Cl"	33.962126
"275914"	771.148602	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+Cl"	34.969402
"668333"	1139.238202	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+Cl"	34.969402
"1278550"	403.059002	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Cl"	34.969402
"19649"	773.127806	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M-2H+K"	36.948606
"458119"	1141.217406	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M-2H+K"	36.948606
"839569"	405.038206	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-2H+K"	36.948606
"1563059"	405.038206	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+K-2H"	36.948606
"947661"	413.087794	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-H+HCOOH"	44.998194
"368065"	781.177401	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+HCOOH-H"	44.998201
"349762"	795.193051	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+Hac-H"	59.013851
"1497499"	427.103451	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Hac-H"	59.013851
"962488"	435.069751	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-H+NaCOOH"	66.980151
"110906"	403.059002	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+2Cl"	69.938804
"554235"	587.103802	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+2Cl"	69.938804
"1024856"	219.014202	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2Cl"	69.938804
"1242243"	447.008485	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Br"	78.918885
"1306880"	449.064472	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Cl+HCOOH"	80.974872
"1321825"	471.046429	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Cl+NaCOOH"	102.956829
"913611"	481.075186	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M-H+CF3COOH"	112.985586
"1292882"	517.051864	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Cl+CF3COOH"	148.962264
"1377606"	333.076924	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H-2H2O"	-35.012676
"1391821"	351.0869	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H-H2O"	-17.0027
"292601"	737.186476	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+H"	1.007276
"689396"	1105.276076	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+H"	1.007276
"1364289"	369.096876	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H"	1.007276
"139365"	369.096876	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+2H"	2.014552
"576010"	553.141676	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+2H"	2.014552
"1049183"	185.052076	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2H"	2.014552
"213800"	246.400342666667	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+3H"	3.021828
"657370"	369.096876	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+3H"	3.021828
"1175499"	123.703809333333	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+3H"	3.021828
"435857"	754.213023	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+NH4"	18.033823
"791379"	1122.302623	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+NH4"	18.033823
"1685529"	386.123423	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+NH4"	18.033823
"337088"	377.6101495	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+H+NH4"	19.041099
"733884"	561.6549495	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+H+NH4"	19.041099
"1492080"	193.5653495	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H+NH4"	19.041099
"402011"	759.168418	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+Na"	22.989218
"761912"	1127.258018	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+Na"	22.989218
"1608555"	391.078818	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Na"	22.989218
"320053"	380.087847	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+H+Na"	23.996494
"713567"	564.132647	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+H+Na"	23.996494
"1467388"	196.043047	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H+Na"	23.996494
"1058445"	131.031123333333	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2H+Na"	25.00377
"1266684"	401.123086	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+CH3OH+H"	33.033486
"386352"	775.142358	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+K"	38.963158
"741879"	1143.231958	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+K"	38.963158
"1541748"	407.052758	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+K"	38.963158
"301474"	388.074817	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+H+K"	39.970434
"692437"	572.119617	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+H+K"	39.970434
"1447354"	204.030017	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H+K"	39.970434
"240331"	778.213026	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+ACN+H"	42.033826
"1214139"	410.123426	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+ACN+H"	42.033826
"1201298"	205.565351	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+ACN+2H"	43.041102
"194172"	781.15036	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+2Na-H"	44.97116
"637009"	1149.23996	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+2Na-H"	44.97116
"1139424"	413.06076	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2Na-H"	44.97116
"179433"	391.078818	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+2Na"	45.978436
"618995"	575.123618	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+2Na"	45.978436
"1118126"	207.034018	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2Na"	45.978436
"1401649"	138.358437333333	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H+2Na"	46.985712
"1430846"	415.102346	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H+HCOOH"	47.012746
"222367"	396.11184	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+3H2O+2H"	56.04448
"1508848"	429.15439	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+IsoProp+H"	61.06479
"422156"	399.065788	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+Na+K"	61.952376
"783880"	583.110588	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+Na+K"	61.952376
"1676203"	215.020988	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Na+K"	61.952376
"264913"	800.194968	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+ACN+Na"	64.015768
"1236528"	432.105368	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+ACN+Na"	64.015768
"1723227"	432.128893	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+NH4+HCOOH"	64.039293
"1191863"	145.685751333333	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+3Na"	68.967654
"1662849"	437.084288	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Na+HCOOH"	68.994688
"166430"	813.09824	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+2K-H"	76.91904
"608909"	1181.18784	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+2K-H"	76.91904
"1096339"	445.00864	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2K-H"	76.91904
"153881"	407.052758	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"2M+2K"	77.926316
"595265"	591.097558	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"3M+2K"	77.926316
"1081964"	223.007958	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2K"	77.926316
"1110069"	447.023192	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2K+H"	78.933592
"1347547"	447.110807	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+DMSO+H"	79.021207
"1014983"	451.149976	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2ACN+H"	83.060376
"1533109"	452.143608	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+IsoProp+Na+H"	84.054008
"995183"	226.078626	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+2ACN+2H"	84.067652
"1592967"	453.058228	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+K+HCOOH"	84.968628
"1417534"	483.089738	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+H+CF3COOH"	115.000138
"1153292"	246.591901	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+3ACN+2H"	125.094202
"1702842"	500.116285	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+NH4+CF3COOH"	132.026685
"1641775"	505.07168	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+Na+CF3COOH"	136.98208
"1580706"	521.04562	"C10194"	"Velloquercetin"	"C20H16O7"	"368.0896"	"M+K+CF3COOH"	152.95602
"812170"	594.1585	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M"	0
"984608"	575.14011	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"67385"	395.098390666667	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"504759"	593.151224	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"891308"	197.045557333333	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"7694"	593.151224	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"450535"	890.230474	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"828340"	296.071974	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"90513"	1187.309724	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"532262"	1781.468224	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"897311"	593.151224	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"51320"	1204.336271	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"490880"	1798.494771	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"865888"	610.177771	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"33549"	1209.291666	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"483443"	1803.450166	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"860515"	615.133166	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1630050"	615.133166	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"97830"	611.139563	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"540670"	908.218813	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"935280"	314.060313	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"276024"	1223.286402	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"668443"	1817.444902	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1278660"	629.127902	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"17569"	1225.265606	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"456891"	1819.424106	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"833718"	631.107106	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1560979"	631.107106	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"946677"	639.156694	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"364165"	1233.315201	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"348045"	1247.330851	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1495785"	653.172351	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"961138"	661.138651	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"110892"	629.127902	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"550819"	926.207152	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1024966"	332.048652	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1244177"	673.077385	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1308446"	675.133372	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1321937"	697.115329	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"914818"	707.144086	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1293356"	743.120764	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1370786"	559.145824	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1388650"	577.1558	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"292711"	1189.324276	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"690236"	1783.482776	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1365495"	595.165776	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"139477"	595.165776	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"579767"	892.245026	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1050025"	298.086526	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"215004"	397.112942666667	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"659428"	595.165776	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1175606"	199.060109333333	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"437062"	1206.350823	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"791490"	1800.509323	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1691107"	612.192323	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"342666"	603.6790495	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"735088"	900.7582995	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1490007"	306.5997995	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"401028"	1211.306218	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"760930"	1805.464718	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1610121"	617.147718	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"321250"	606.156747	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"713677"	903.235997	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1466405"	309.077497	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1056369"	206.387423333333	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1264608"	627.191986	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"384276"	1227.280158	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"745269"	1821.438658	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1542221"	633.121658	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"301220"	614.143717	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"694736"	911.222967	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1450745"	317.064467	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"243721"	1230.350826	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1217529"	636.192326	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1204689"	318.599801	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"201203"	1233.28816	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"640400"	1827.44666	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1143541"	639.12966	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"185739"	617.147718	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"626757"	914.226968	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1123703"	320.068468	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1406133"	213.714737333333	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1433874"	641.171246	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"229038"	622.18074	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1510175"	655.22329	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"422994"	625.134688	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"783624"	922.213938	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1673032"	328.055438	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"258461"	1252.332768	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1235545"	658.174268	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1724431"	658.197793	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1191973"	221.042051333333	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1663688"	663.153188	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"166540"	1265.23604	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"606101"	1859.39454	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1092800"	671.07754	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"151803"	633.121658	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"592459"	930.200908	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1080980"	336.042408	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1110179"	673.092092	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1344377"	673.179707	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1011813"	677.218876	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1534312"	678.212508	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"996386"	339.113076	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1593077"	679.127128	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1415456"	709.158638	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1154496"	359.626351	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1702952"	726.185185	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1644072"	731.14058	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1584096"	747.11452	"C10195"	"Vicenin-2;Apigenin-68-di-C-glycoside;574-Trihydroxyflavone-68-di-C-glucoside"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"817025"	578.1636	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M"	0
"985814"	559.14521	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-H2O-H"	-19.01839
"76242"	384.435124	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M-3H"	-3.021828
"511429"	577.156324	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M-3H"	-3.021828
"893607"	191.713924	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-3H"	-3.021828
"9994"	577.156324	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M-2H"	-2.014552
"449557"	866.238124	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M-2H"	-2.014552
"827356"	288.074524	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-2H"	-2.014552
"84068"	1155.319924	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M-H"	-1.007276
"521443"	1733.483524	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M-H"	-1.007276
"899244"	577.156324	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-H"	-1.007276
"52525"	1172.346471	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M-2H+NH4"	16.019271
"488563"	1750.510071	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M-2H+NH4"	16.019271
"870986"	594.182871	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-2H+NH4"	16.019271
"43992"	1177.301866	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M-2H+Na"	20.974666
"486719"	1755.465466	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M-2H+Na"	20.974666
"862816"	599.138266	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-2H+Na"	20.974666
"1632713"	599.138266	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Na-2H"	20.974666
"105960"	595.144663	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M-H+Cl"	33.962126
"545156"	884.226463	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M-H+Cl"	33.962126
"935391"	306.062863	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-H+Cl"	33.962126
"277959"	1191.296602	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+Cl"	34.969402
"670740"	1769.460202	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+Cl"	34.969402
"1282052"	613.133002	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Cl"	34.969402
"19870"	1193.275806	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M-2H+K"	36.948606
"464176"	1771.439406	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M-2H+K"	36.948606
"837602"	615.112206	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-2H+K"	36.948606
"1565467"	615.112206	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+K-2H"	36.948606
"952259"	623.161794	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-H+HCOOH"	44.998194
"372659"	1201.325401	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+HCOOH-H"	44.998201
"351074"	1215.341051	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+Hac-H"	59.013851
"1499908"	637.177451	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Hac-H"	59.013851
"965264"	645.143751	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-H+NaCOOH"	66.980151
"113437"	613.133002	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+2Cl"	69.938804
"554821"	902.214802	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+2Cl"	69.938804
"1025442"	324.051202	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2Cl"	69.938804
"1245745"	657.082485	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Br"	78.918885
"1311111"	659.138472	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Cl+HCOOH"	80.974872
"1326424"	681.120429	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Cl+NaCOOH"	102.956829
"915659"	691.149186	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M-H+CF3COOH"	112.985586
"1293102"	727.125864	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Cl+CF3COOH"	148.962264
"1370532"	543.150924	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H-2H2O"	-35.012676
"1388760"	561.1609	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H-H2O"	-17.0027
"293916"	1157.334476	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+H"	1.007276
"687431"	1735.498076	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+H"	1.007276
"1358310"	579.170876	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H"	1.007276
"140679"	579.170876	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+2H"	2.014552
"578416"	868.252676	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+2H"	2.014552
"1052575"	290.089076	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2H"	2.014552
"219784"	386.449676	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+3H"	3.021828
"658322"	579.170876	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+3H"	3.021828
"1176087"	193.728476	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+3H"	3.021828
"438632"	1174.361023	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+NH4"	18.033823
"797072"	1752.524623	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+NH4"	18.033823
"1691218"	596.197423	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+NH4"	18.033823
"338402"	587.6841495	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+H+NH4"	19.041099
"735199"	876.7659495	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+H+NH4"	19.041099
"1491940"	298.6023495	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H+NH4"	19.041099
"404420"	1179.316418	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+Na"	22.989218
"766507"	1757.480018	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+Na"	22.989218
"1614606"	601.152818	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Na"	22.989218
"320268"	590.161847	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+H+Na"	23.996494
"714877"	879.243647	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+H+Na"	23.996494
"1469790"	301.080047	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H+Na"	23.996494
"1063036"	201.05579	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2H+Na"	25.00377
"1266903"	611.197086	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+CH3OH+H"	33.033486
"383292"	1195.290358	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+K"	38.963158
"746475"	1773.453958	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+K"	38.963158
"1543061"	617.126758	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+K"	38.963158
"307891"	598.148817	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+H+K"	39.970434
"701407"	887.230617	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+H+K"	39.970434
"1458509"	309.067017	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H+K"	39.970434
"248205"	1198.361026	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+ACN+H"	42.033826
"1219825"	620.197426	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+ACN+H"	42.033826
"1204437"	310.602351	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+ACN+2H"	43.041102
"200953"	1201.29836	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+2Na-H"	44.97116
"640877"	1779.46196	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+2Na-H"	44.97116
"1142928"	623.13476	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2Na-H"	44.97116
"186947"	601.152818	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+2Na"	45.978436
"627598"	890.234618	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+2Na"	45.978436
"1123814"	312.071018	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2Na"	45.978436
"1405149"	208.383104	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H+2Na"	46.985712
"1434352"	625.176346	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H+HCOOH"	47.012746
"223682"	606.18584	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+3H2O+2H"	56.04448
"1513937"	639.22839	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+IsoProp+H"	61.06479
"423470"	609.139788	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+Na+K"	61.952376
"783008"	898.221588	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+Na+K"	61.952376
"1667676"	320.057988	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Na+K"	61.952376
"262945"	1220.342968	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+ACN+Na"	64.015768
"1232375"	642.179368	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+ACN+Na"	64.015768
"1724542"	642.202893	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+NH4+HCOOH"	64.039293
"1186616"	215.710418	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+3Na"	68.967654
"1660882"	647.158288	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Na+HCOOH"	68.994688
"170297"	1233.24624	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+2K-H"	76.91904
"609491"	1811.40984	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+2K-H"	76.91904
"1097283"	655.08264	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2K-H"	76.91904
"149727"	617.126758	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"2M+2K"	77.926316
"591476"	906.208558	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"3M+2K"	77.926316
"1079268"	328.044958	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2K"	77.926316
"1107013"	657.097192	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2K+H"	78.933592
"1345584"	657.184807	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+DMSO+H"	79.021207
"1016298"	661.223976	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2ACN+H"	83.060376
"1536611"	662.217608	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+IsoProp+Na+H"	84.054008
"1001967"	331.115626	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+2ACN+2H"	84.067652
"1597562"	663.132228	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+K+HCOOH"	84.968628
"1422129"	693.163738	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+H+CF3COOH"	115.000138
"1157886"	351.628901	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+3ACN+2H"	125.094202
"1705249"	710.190285	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+NH4+CF3COOH"	132.026685
"1644182"	715.14568	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+Na+CF3COOH"	136.98208
"1580926"	731.11962	"C10196"	"Violanthin"	"C27H30O14"	"578.1636"	"M+K+CF3COOH"	152.95602
"815794"	284.0685	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M"	0
"987745"	265.05011	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"76353"	188.371724	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"513724"	283.061224	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"894932"	93.682224	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"13997"	283.061224	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"451853"	425.095474	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"827466"	141.026974	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"84177"	567.129724	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"524834"	851.198224	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"901542"	283.061224	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"55916"	584.156271	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"490011"	868.224771	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"868907"	300.087771	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"36808"	589.111666	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"483298"	873.180166	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"857454"	305.043166	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1633188"	305.043166	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"103518"	301.049563	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"544173"	443.083813	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"935501"	159.015313	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"278798"	603.106402	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"668664"	887.174902	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1279246"	319.037902	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"21437"	605.085606	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"466471"	889.154106	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"838805"	321.017106	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1568857"	321.017106	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"958168"	329.066694	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"373863"	613.135201	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"355558"	627.150851	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1503298"	343.082351	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"966465"	351.048651	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"116463"	319.037902	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"562584"	461.072152	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1031385"	177.003652	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1245126"	362.987385	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1309398"	365.043372	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1322886"	387.025329	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"918686"	397.054086	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1296492"	433.030764	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1373560"	249.055824	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1388869"	267.0658	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"289650"	569.144276	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"685353"	853.212776	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1366080"	285.075776	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"140063"	285.075776	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"579987"	427.110026	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1050609"	143.041526	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"219855"	190.386276	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"658433"	285.075776	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1177169"	95.696776	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"439557"	586.170823	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"797182"	870.239323	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1695948"	302.102323	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"340700"	293.5890495	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"737498"	435.6232995	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1492669"	151.5547995	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"408057"	591.126218	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"769053"	875.194718	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1617515"	307.057718	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"328033"	296.066747	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"720333"	438.100997	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1474275"	154.032497	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1064241"	103.02409	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1270660"	317.101986	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"386683"	607.100158	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"749866"	891.168658	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1549730"	323.031658	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"309095"	304.053717	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"701517"	446.087967	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1459714"	162.019467	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"250505"	610.170826	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1223945"	326.102326	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1208922"	163.554801	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"203617"	613.10816	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"643304"	897.17666	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1145353"	329.03966	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"187910"	307.057718	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"628078"	449.091968	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1127207"	165.023468	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1413645"	110.351404	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1436287"	331.081246	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"230354"	312.09074	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1514046"	345.13329	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"423908"	315.044688	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"785511"	457.078938	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1672160"	173.010438	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"263055"	632.152768	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1234672"	348.084268	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1725745"	348.107793	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1192193"	117.678718	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1659899"	353.063188	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"168948"	645.05604	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"611428"	929.12454	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1098975"	360.98754	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"153120"	323.031658	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"591589"	465.065908	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1080472"	180.997408	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1109308"	363.002092	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1344602"	363.089707	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1017502"	367.128876	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1537451"	368.122508	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"999892"	184.068076	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1597674"	369.037128	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1427705"	399.068638	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1150341"	204.581351	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1702078"	416.095185	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1644292"	421.05058	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1584316"	437.02452	"C10197"	"Wogonin;Norwogonin 8-methyl ether"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"814688"	328.0583	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M"	0
"988827"	309.03991	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-H2O-H"	-19.01839
"74276"	217.698257333333	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M-3H"	-3.021828
"516993"	327.051024	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M-3H"	-3.021828
"893824"	108.345490666667	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-3H"	-3.021828
"12402"	327.051024	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M-2H"	-2.014552
"449776"	491.080174	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M-2H"	-2.014552
"824296"	163.021874	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-2H"	-2.014552
"82103"	655.109324	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M-H"	-1.007276
"522758"	983.167624	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M-H"	-1.007276
"896911"	327.051024	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-H"	-1.007276
"53839"	672.135871	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M-2H+NH4"	16.019271
"489028"	1000.194171	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M-2H+NH4"	16.019271
"866831"	344.077571	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-2H+NH4"	16.019271
"35826"	677.091266	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M-2H+Na"	20.974666
"480856"	1005.149566	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M-2H+Na"	20.974666
"859753"	349.032966	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-2H+Na"	20.974666
"1630746"	349.032966	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Na-2H"	20.974666
"102535"	345.039363	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M-H+Cl"	33.962126
"541001"	509.068513	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M-H+Cl"	33.962126
"931238"	181.010213	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-H+Cl"	33.962126
"274170"	691.086002	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+Cl"	34.969402
"665130"	1019.144302	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+Cl"	34.969402
"1277533"	363.027702	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Cl"	34.969402
"19360"	693.065206	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M-2H+K"	36.948606
"464396"	1021.123506	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M-2H+K"	36.948606
"838915"	365.006906	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-2H+K"	36.948606
"1568967"	365.006906	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+K-2H"	36.948606
"957707"	373.056494	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-H+HCOOH"	44.998194
"374703"	701.114801	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+HCOOH-H"	44.998201
"357857"	715.130451	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+Hac-H"	59.013851
"1504503"	387.072151	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Hac-H"	59.013851
"967670"	395.038451	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-H+NaCOOH"	66.980151
"112564"	363.027702	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+2Cl"	69.938804
"557227"	527.056852	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+2Cl"	69.938804
"1032223"	198.998552	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2Cl"	69.938804
"1245601"	406.977185	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Br"	78.918885
"1307687"	409.033172	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Cl+HCOOH"	80.974872
"1324455"	431.015129	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Cl+NaCOOH"	102.956829
"914785"	441.043886	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M-H+CF3COOH"	112.985586
"1299887"	477.020564	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Cl+CF3COOH"	148.962264
"1376953"	293.045624	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H-2H2O"	-35.012676
"1393355"	311.0556	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H-H2O"	-17.0027
"290855"	657.123876	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+H"	1.007276
"688745"	985.182176	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+H"	1.007276
"1366761"	329.065576	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H"	1.007276
"141148"	329.065576	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+2H"	2.014552
"577911"	493.094726	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+2H"	2.014552
"1049262"	165.036426	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2H"	2.014552
"219948"	219.712809333333	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+3H"	3.021828
"655993"	329.065576	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+3H"	3.021828
"1175943"	110.360042666667	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+3H"	3.021828
"439463"	674.150423	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+NH4"	18.033823
"797293"	1002.208723	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+NH4"	18.033823
"1691438"	346.092123	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+NH4"	18.033823
"343366"	337.5788495	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+H+NH4"	19.041099
"734326"	501.6079995	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+H+NH4"	19.041099
"1492281"	173.5496995	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H+NH4"	19.041099
"402450"	679.105818	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+Na"	22.989218
"763447"	1007.164118	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+Na"	22.989218
"1617502"	351.047518	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Na"	22.989218
"324864"	340.056547	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+H+Na"	23.996494
"717286"	504.085697	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+H+Na"	23.996494
"1472200"	176.027397	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H+Na"	23.996494
"1061073"	117.687356666667	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2H+Na"	25.00377
"1266031"	361.091786	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+CH3OH+H"	33.033486
"384607"	695.079758	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+K"	38.963158
"746695"	1023.138058	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+K"	38.963158
"1548749"	367.021458	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+K"	38.963158
"307018"	348.043517	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+H+K"	39.970434
"701624"	512.072667	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+H+K"	39.970434
"1455449"	184.014367	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H+K"	39.970434
"246239"	698.150426	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+ACN+H"	42.033826
"1222956"	370.092126	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+ACN+H"	42.033826
"1208305"	185.549701	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+ACN+2H"	43.041102
"201538"	701.08776	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+2Na-H"	44.97116
"640369"	1029.14606	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+2Na-H"	44.97116
"1145464"	373.02946	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2Na-H"	44.97116
"187900"	351.047518	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+2Na"	45.978436
"627580"	515.076668	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+2Na"	45.978436
"1130359"	187.018368	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2Na"	45.978436
"1409020"	125.014670666667	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H+2Na"	46.985712
"1441864"	375.071046	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H+HCOOH"	47.012746
"228278"	356.08054	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+3H2O+2H"	56.04448
"1516344"	389.12309	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+IsoProp+H"	61.06479
"422599"	359.034488	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+Na+K"	61.952376
"784688"	523.063638	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+Na+K"	61.952376
"1673365"	195.005338	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Na+K"	61.952376
"266654"	720.132368	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+ACN+Na"	64.015768
"1233689"	392.074068	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+ACN+Na"	64.015768
"1725856"	392.097593	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+NH4+HCOOH"	64.039293
"1191210"	132.341984666667	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+3Na"	68.967654
"1661103"	397.052988	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Na+HCOOH"	68.994688
"169789"	733.03564	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+2K-H"	76.91904
"610811"	1061.09394	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+2K-H"	76.91904
"1096050"	404.97734	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2K-H"	76.91904
"152137"	367.021458	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"2M+2K"	77.926316
"591698"	531.050608	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"3M+2K"	77.926316
"1079489"	202.992308	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2K"	77.926316
"1108327"	406.991892	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2K+H"	78.933592
"1347264"	407.079507	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+DMSO+H"	79.021207
"1016158"	411.118676	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2ACN+H"	83.060376
"1536468"	412.112308	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+IsoProp+Na+H"	84.054008
"1003649"	206.062976	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+2ACN+2H"	84.067652
"1597784"	413.026928	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+K+HCOOH"	84.968628
"1425629"	443.058438	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+H+CF3COOH"	115.000138
"1152638"	226.576251	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+3ACN+2H"	125.094202
"1702188"	460.084985	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+NH4+CF3COOH"	132.026685
"1644402"	465.04038	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+Na+CF3COOH"	136.98208
"1581146"	481.01432	"C10198"	"(-)-Acanthocarpan"	"C17H12O7"	"328.0583"	"M+K+CF3COOH"	152.95602
"815771"	298.0841	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M"	0
"989421"	279.06571	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-H2O-H"	-19.01839
"78301"	197.715457333333	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M-3H"	-3.021828
"516858"	297.076824	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M-3H"	-3.021828
"893934"	98.3540906666667	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-3H"	-3.021828
"14824"	297.076824	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M-2H"	-2.014552
"454020"	446.118874	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M-2H"	-2.014552
"829510"	148.034774	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-2H"	-2.014552
"86586"	595.160924	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M-H"	-1.007276
"527242"	893.245024	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M-H"	-1.007276
"903948"	297.076824	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-H"	-1.007276
"58324"	612.187471	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M-2H+NH4"	16.019271
"489138"	910.271571	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M-2H+NH4"	16.019271
"868035"	314.103371	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-2H+NH4"	16.019271
"34843"	617.142866	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M-2H+Na"	20.974666
"483882"	915.226966	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M-2H+Na"	20.974666
"859863"	319.058766	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-2H+Na"	20.974666
"1631220"	319.058766	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Na-2H"	20.974666
"99729"	315.065163	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M-H+Cl"	33.962126
"547917"	464.107213	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M-H+Cl"	33.962126
"933535"	166.023113	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-H+Cl"	33.962126
"281085"	631.137602	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+Cl"	34.969402
"672167"	929.221702	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+Cl"	34.969402
"1283476"	333.053502	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Cl"	34.969402
"24940"	633.116806	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M-2H+K"	36.948606
"466693"	931.200906	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M-2H+K"	36.948606
"839026"	335.032706	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-2H+K"	36.948606
"1564703"	335.032706	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+K-2H"	36.948606
"957694"	343.082294	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-H+HCOOH"	44.998194
"372626"	641.166401	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+HCOOH-H"	44.998201
"356874"	655.182051	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+Hac-H"	59.013851
"1503155"	357.097951	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Hac-H"	59.013851
"966687"	365.064251	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-H+NaCOOH"	66.980151
"114498"	333.053502	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+2Cl"	69.938804
"560255"	482.095552	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+2Cl"	69.938804
"1031606"	184.011452	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2Cl"	69.938804
"1254464"	377.002985	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Br"	78.918885
"1311077"	379.058972	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Cl+HCOOH"	80.974872
"1330033"	401.040929	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Cl+NaCOOH"	102.956829
"921091"	411.069686	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M-H+CF3COOH"	112.985586
"1302913"	447.046364	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Cl+CF3COOH"	148.962264
"1373782"	263.071424	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H-2H2O"	-35.012676
"1398045"	281.0814	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H-H2O"	-17.0027
"296431"	597.175476	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+H"	1.007276
"689706"	895.259576	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+H"	1.007276
"1365084"	299.091376	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H"	1.007276
"141178"	299.091376	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+2H"	2.014552
"580811"	448.133426	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+2H"	2.014552
"1051559"	150.049326	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2H"	2.014552
"217637"	199.730009333333	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+3H"	3.021828
"657197"	299.091376	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+3H"	3.021828
"1178365"	100.368642666667	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+3H"	3.021828
"439736"	614.202023	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+NH4"	18.033823
"797402"	912.286123	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+NH4"	18.033823
"1690454"	316.117923	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+NH4"	18.033823
"344933"	307.6046495	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+H+NH4"	19.041099
"731156"	456.6466995	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+H+NH4"	19.041099
"1492352"	158.5625995	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H+NH4"	19.041099
"404748"	619.157418	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+Na"	22.989218
"763558"	917.241518	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+Na"	22.989218
"1616032"	321.073318	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Na"	22.989218
"326068"	310.082347	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+H+Na"	23.996494
"718490"	459.124397	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+H+Na"	23.996494
"1474498"	161.040297	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H+Na"	23.996494
"1065557"	107.695956666667	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2H+Na"	25.00377
"1272304"	331.117586	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+CH3OH+H"	33.033486
"384718"	635.131358	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+K"	38.963158
"750086"	933.215458	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+K"	38.963158
"1547766"	337.047258	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+K"	38.963158
"306034"	318.069317	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+H+K"	39.970434
"699548"	467.111367	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+H+K"	39.970434
"1457742"	169.027267	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H+K"	39.970434
"248532"	638.202026	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+ACN+H"	42.033826
"1221241"	340.117926	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+ACN+H"	42.033826
"1208044"	170.562601	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+ACN+2H"	43.041102
"199088"	641.13936	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+2Na-H"	44.97116
"643399"	939.22346	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+2Na-H"	44.97116
"1145444"	343.05526	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2Na-H"	44.97116
"184355"	321.073318	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+2Na"	45.978436
"627202"	470.115368	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+2Na"	45.978436
"1130587"	172.031268	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2Na"	45.978436
"1412775"	115.023270666667	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H+2Na"	46.985712
"1442339"	345.096846	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H+HCOOH"	47.012746
"233859"	326.10634	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+3H2O+2H"	56.04448
"1516454"	359.14889	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+IsoProp+H"	61.06479
"416140"	329.060288	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+Na+K"	61.952376
"778229"	478.102338	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+Na+K"	61.952376
"1680760"	180.018238	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Na+K"	61.952376
"265831"	660.183968	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+ACN+Na"	64.015768
"1234892"	362.099868	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+ACN+Na"	64.015768
"1723782"	362.123393	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+NH4+HCOOH"	64.039293
"1188406"	122.350584666667	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+3Na"	68.967654
"1659756"	367.078788	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Na+HCOOH"	68.994688
"169173"	673.08724	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+2K-H"	76.91904
"608006"	971.17134	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+2K-H"	76.91904
"1092152"	375.00314	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2K-H"	76.91904
"150428"	337.047258	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"2M+2K"	77.926316
"588528"	486.089308	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"3M+2K"	77.926316
"1076686"	188.005208	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2K"	77.926316
"1105157"	377.017692	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2K+H"	78.933592
"1339354"	377.105307	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+DMSO+H"	79.021207
"1011162"	381.144476	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2ACN+H"	83.060376
"1536582"	382.138108	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+IsoProp+Na+H"	84.054008
"1004732"	191.075876	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+2ACN+2H"	84.067652
"1600083"	383.052728	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+K+HCOOH"	84.968628
"1424648"	413.084238	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+H+CF3COOH"	115.000138
"1154934"	211.589151	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+3ACN+2H"	125.094202
"1704484"	430.110785	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+NH4+CF3COOH"	132.026685
"1644512"	435.06618	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+Na+CF3COOH"	136.98208
"1579069"	451.04012	"C10199"	"Afrormosin"	"C17H14O5"	"298.0841"	"M+K+CF3COOH"	152.95602
"816988"	254.0579	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M"	0
"988437"	235.03951	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"77774"	168.364657333333	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"515146"	253.050624	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"891857"	83.6786906666667	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"15175"	253.050624	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"454737"	380.079574	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"828890"	126.021674	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"88883"	507.108524	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"525164"	761.166424	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"906246"	253.050624	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"57340"	524.135071	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"491436"	778.192971	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"866080"	270.077171	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"33492"	529.090466	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"475608"	783.148366	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"861065"	275.032566	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1629507"	275.032566	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"106036"	271.038963	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"543409"	398.067913	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"939112"	144.010013	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"280709"	543.085202	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"674710"	797.143102	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1284680"	289.027302	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"26143"	545.064406	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"466803"	799.122306	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"837677"	291.006506	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1563720"	291.006506	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"957483"	299.056094	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"374195"	553.114001	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"360388"	567.129651	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1507276"	313.071751	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"970806"	321.038051	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"113515"	289.027302	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"562187"	416.056252	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1034631"	161.998352	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1254939"	332.976785	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1309366"	335.032772	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1330142"	357.014729	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"922295"	367.043486	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1303834"	403.020164	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1377172"	219.045224	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1398438"	237.0552	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"295448"	509.123076	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"691031"	763.180976	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1365316"	255.065176	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"141157"	255.065176	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"580558"	382.094126	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1052711"	128.036226	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"217747"	170.379209333333	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"657307"	255.065176	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1178233"	85.6932426666667	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"439439"	526.149623	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"799705"	780.207523	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1691655"	272.091723	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"338842"	263.5784495	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"737829"	390.6073995	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1491284"	136.5494995	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"405953"	531.105018	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"763668"	785.162918	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1616141"	277.047118	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"327638"	266.056147	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"719694"	393.085097	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1470234"	139.027197	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1067857"	93.0205566666667	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1270626"	287.091386	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"389932"	547.078958	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"748009"	801.136858	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1551156"	293.021058	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"309425"	274.043117	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"698565"	401.072067	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1455665"	147.014167	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"247549"	550.149626	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1221351"	296.091726	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1207426"	148.549501	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"198105"	553.08696	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"642413"	807.14486	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1145918"	299.02906	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"184101"	277.047118	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"626948"	404.076068	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1129965"	150.018168	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1413129"	100.347870666667	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1444273"	301.070646	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"235062"	282.08014	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1518750"	315.12269	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"419529"	285.034088	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"780525"	412.063038	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1679898"	158.005138	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"263025"	572.131568	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1233910"	318.073668	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1723527"	318.097193	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1190337"	107.675184666667	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1660232"	323.052588	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"168916"	585.03484	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"607384"	839.09274	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1095174"	330.97694	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"150538"	293.021058	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"589368"	420.050008	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1077890"	165.992108	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1108547"	332.991492	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1345663"	333.079107	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1017471"	337.118276	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1537421"	338.111908	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1002776"	169.062776	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1600920"	339.026528	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1427673"	369.058038	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1150671"	189.576051	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1702408"	386.084585	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1644622"	391.03998	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1579179"	407.01392	"C10200"	"Anhydroglycinol;39-Dihydroxypterocarpen"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"816905"	312.0634	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M"	0
"989829"	293.04501	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-H2O-H"	-19.01839
"78053"	207.034990666667	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M-3H"	-3.021828
"515256"	311.056124	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M-3H"	-3.021828
"895527"	103.013857333333	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-3H"	-3.021828
"15595"	311.056124	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M-2H"	-2.014552
"454477"	467.087824	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M-2H"	-2.014552
"832282"	155.024424	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-2H"	-2.014552
"88993"	623.119524	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M-H"	-1.007276
"528554"	935.182924	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M-H"	-1.007276
"904168"	311.056124	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-H"	-1.007276
"57450"	640.146071	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M-2H+NH4"	16.019271
"497013"	952.209471	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M-2H+NH4"	16.019271
"875911"	328.082671	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-2H+NH4"	16.019271
"42716"	645.101466	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M-2H+Na"	20.974666
"486291"	957.164866	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M-2H+Na"	20.974666
"860080"	333.038066	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-2H+Na"	20.974666
"1633882"	333.038066	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Na-2H"	20.974666
"109840"	329.044463	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M-H+Cl"	33.962126
"549848"	485.076163	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M-H+Cl"	33.962126
"942102"	173.012763	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-H+Cl"	33.962126
"281791"	659.096202	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+Cl"	34.969402
"673848"	971.159602	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+Cl"	34.969402
"1286855"	347.032802	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Cl"	34.969402
"27346"	661.075406	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M-2H+K"	36.948606
"469100"	973.138806	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M-2H+K"	36.948606
"841433"	349.012006	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-2H+K"	36.948606
"1567110"	349.012006	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+K-2H"	36.948606
"957914"	357.061594	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-H+HCOOH"	44.998194
"376861"	669.125001	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+HCOOH-H"	44.998201
"360986"	683.140651	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+Hac-H"	59.013851
"1506654"	371.077251	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Hac-H"	59.013851
"973103"	379.043551	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-H+NaCOOH"	66.980151
"119457"	347.032802	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+2Cl"	69.938804
"561568"	503.064502	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+2Cl"	69.938804
"1034377"	191.001102	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2Cl"	69.938804
"1250309"	390.982285	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Br"	78.918885
"1317131"	393.038272	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Cl+HCOOH"	80.974872
"1329160"	415.020229	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Cl+NaCOOH"	102.956829
"918032"	425.048986	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M-H+CF3COOH"	112.985586
"1303864"	461.025664	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Cl+CF3COOH"	148.962264
"1377282"	277.050724	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H-2H2O"	-35.012676
"1398308"	295.0607	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H-H2O"	-17.0027
"295558"	625.134076	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+H"	1.007276
"690048"	937.197476	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+H"	1.007276
"1366765"	313.070676	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H"	1.007276
"141369"	313.070676	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+2H"	2.014552
"579696"	469.102376	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+2H"	2.014552
"1052596"	157.038976	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2H"	2.014552
"219683"	209.049542666667	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+3H"	3.021828
"658146"	313.070676	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+3H"	3.021828
"1176761"	105.028409333333	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+3H"	3.021828
"438820"	642.160623	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+NH4"	18.033823
"800178"	954.224023	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+NH4"	18.033823
"1691764"	330.097223	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+NH4"	18.033823
"336765"	321.5839495	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+H+NH4"	19.041099
"738142"	477.6156495	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+H+NH4"	19.041099
"1492331"	165.5522495	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H+NH4"	19.041099
"403876"	647.116018	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+Na"	22.989218
"767059"	959.179418	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+Na"	22.989218
"1616250"	335.052618	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Na"	22.989218
"329207"	324.061647	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+H+Na"	23.996494
"721628"	480.093347	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+H+Na"	23.996494
"1472531"	168.029947	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H+Na"	23.996494
"1064685"	112.355723333333	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2H+Na"	25.00377
"1270736"	345.096886	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+CH3OH+H"	33.033486
"390774"	663.089958	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+K"	38.963158
"752495"	975.153358	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+K"	38.963158
"1550174"	351.026558	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+K"	38.963158
"311724"	332.048617	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+H+K"	39.970434
"703051"	488.080317	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+H+K"	39.970434
"1454682"	176.016917	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H+K"	39.970434
"247659"	666.160626	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+ACN+H"	42.033826
"1222555"	354.097226	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+ACN+H"	42.033826
"1207171"	177.552251	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+ACN+2H"	43.041102
"198215"	669.09796	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+2Na-H"	44.97116
"643782"	981.16136	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+2Na-H"	44.97116
"1144569"	357.03456	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2Na-H"	44.97116
"184575"	335.052618	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+2Na"	45.978436
"625229"	491.084318	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+2Na"	45.978436
"1127643"	179.020918	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2Na"	45.978436
"1412264"	119.683037333333	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H+2Na"	46.985712
"1443649"	359.076146	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H+HCOOH"	47.012746
"230792"	340.08564	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+3H2O+2H"	56.04448
"1517761"	373.12819	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+IsoProp+H"	61.06479
"422555"	343.039588	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+Na+K"	61.952376
"782457"	499.071288	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+Na+K"	61.952376
"1680907"	187.007888	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Na+K"	61.952376
"266663"	688.142568	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+ACN+Na"	64.015768
"1239127"	376.079168	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+ACN+Na"	64.015768
"1725097"	376.102693	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+NH4+HCOOH"	64.039293
"1189353"	127.010351333333	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+3Na"	68.967654
"1660339"	381.058088	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Na+HCOOH"	68.994688
"170123"	701.04584	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+2K-H"	76.91904
"606400"	1013.10924	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+2K-H"	76.91904
"1092370"	388.98244	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2K-H"	76.91904
"152833"	351.026558	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"2M+2K"	77.926316
"591665"	507.058258	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"3M+2K"	77.926316
"1078366"	194.994858	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2K"	77.926316
"1111941"	390.996992	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2K+H"	78.933592
"1347230"	391.084607	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+DMSO+H"	79.021207
"1010292"	395.123776	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2ACN+H"	83.060376
"1536801"	396.117408	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+IsoProp+Na+H"	84.054008
"1003612"	198.065526	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+2ACN+2H"	84.067652
"1599209"	397.032028	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+K+HCOOH"	84.968628
"1425960"	427.063538	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+H+CF3COOH"	115.000138
"1156249"	218.578801	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+3ACN+2H"	125.094202
"1709079"	444.090085	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+NH4+CF3COOH"	132.026685
"1642545"	449.04548	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+Na+CF3COOH"	136.98208
"1581476"	465.01942	"C10201"	"Betavulgarin"	"C17H12O6"	"312.0634"	"M+K+CF3COOH"	152.95602
"814033"	298.0477	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M"	0
"978817"	279.02931	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-H2O-H"	-19.01839
"68153"	197.691190666667	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M-3H"	-3.021828
"507711"	297.040424	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M-3H"	-3.021828
"888796"	98.3419573333333	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-3H"	-3.021828
"7371"	297.040424	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M-2H"	-2.014552
"454953"	446.064274	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M-2H"	-2.014552
"831296"	148.016574	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-2H"	-2.014552
"89103"	595.088124	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M-H"	-1.007276
"528664"	893.135824	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M-H"	-1.007276
"906101"	297.040424	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-H"	-1.007276
"56466"	612.114671	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M-2H+NH4"	16.019271
"497852"	910.162371	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M-2H+NH4"	16.019271
"876021"	314.066971	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-2H+NH4"	16.019271
"42826"	617.070066	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M-2H+Na"	20.974666
"487098"	915.117766	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M-2H+Na"	20.974666
"862377"	319.022366	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-2H+Na"	20.974666
"1633949"	319.022366	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Na-2H"	20.974666
"109793"	315.028763	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M-H+Cl"	33.962126
"549876"	464.052613	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M-H+Cl"	33.962126
"942497"	166.004913	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-H+Cl"	33.962126
"281780"	631.064802	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+Cl"	34.969402
"674201"	929.112502	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+Cl"	34.969402
"1286722"	333.017102	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Cl"	34.969402
"28549"	633.044006	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M-2H+K"	36.948606
"468117"	931.091706	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M-2H+K"	36.948606
"842637"	334.996306	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-2H+K"	36.948606
"1568313"	334.996306	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+K-2H"	36.948606
"957294"	343.045894	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-H+HCOOH"	44.998194
"374417"	641.093601	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+HCOOH-H"	44.998201
"361175"	655.109251	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+Hac-H"	59.013851
"1507737"	357.061551	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Hac-H"	59.013851
"971754"	365.027851	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-H+NaCOOH"	66.980151
"118108"	333.017102	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+2Cl"	69.938804
"562408"	482.040952	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+2Cl"	69.938804
"1028654"	183.993252	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2Cl"	69.938804
"1248232"	376.966585	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Br"	78.918885
"1312867"	379.022572	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Cl+HCOOH"	80.974872
"1323802"	401.004529	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Cl+NaCOOH"	102.956829
"915956"	411.033286	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M-H+CF3COOH"	112.985586
"1303773"	447.009964	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Cl+CF3COOH"	148.962264
"1377392"	263.035024	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H-2H2O"	-35.012676
"1393794"	281.045	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H-H2O"	-17.0027
"295668"	597.102676	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+H"	1.007276
"690888"	895.150376	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+H"	1.007276
"1366394"	299.054976	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H"	1.007276
"141109"	299.054976	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+2H"	2.014552
"580658"	448.078826	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+2H"	2.014552
"1052017"	150.031126	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2H"	2.014552
"218942"	199.705742666667	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+3H"	3.021828
"659473"	299.054976	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+3H"	3.021828
"1177114"	100.356509333333	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+3H"	3.021828
"438563"	614.129223	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+NH4"	18.033823
"800045"	912.176923	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+NH4"	18.033823
"1691874"	316.081523	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+NH4"	18.033823
"335782"	307.5682495	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+H+NH4"	19.041099
"737687"	456.5920995	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+H+NH4"	19.041099
"1491631"	158.5443995	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H+NH4"	19.041099
"403986"	619.084618	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+Na"	22.989218
"767169"	917.132318	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+Na"	22.989218
"1615268"	321.036918	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Na"	22.989218
"327495"	310.045947	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+H+Na"	23.996494
"719915"	459.069797	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+H+Na"	23.996494
"1469361"	161.022097	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H+Na"	23.996494
"1061515"	107.683823333333	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2H+Na"	25.00377
"1266472"	331.081186	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+CH3OH+H"	33.033486
"390517"	635.058558	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+K"	38.963158
"750419"	933.106258	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+K"	38.963158
"1550284"	337.010858	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+K"	38.963158
"309648"	318.032917	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+H+K"	39.970434
"700975"	467.056767	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+H+K"	39.970434
"1454792"	169.009067	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H+K"	39.970434
"246677"	638.129226	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+ACN+H"	42.033826
"1218293"	340.081526	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+ACN+H"	42.033826
"1205824"	170.544401	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+ACN+2H"	43.041102
"198325"	641.06656	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+2Na-H"	44.97116
"634609"	939.11426	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+2Na-H"	44.97116
"1141397"	343.01886	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2Na-H"	44.97116
"183592"	321.036918	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+2Na"	45.978436
"623152"	470.060768	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+2Na"	45.978436
"1125563"	172.013068	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2Na"	45.978436
"1410912"	115.011137333333	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H+2Na"	46.985712
"1439018"	345.060446	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H+HCOOH"	47.012746
"228715"	326.06994	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+3H2O+2H"	56.04448
"1516778"	359.11249	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+IsoProp+H"	61.06479
"422665"	329.023888	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+Na+K"	61.952376
"781837"	478.047738	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+Na+K"	61.952376
"1680367"	180.000038	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Na+K"	61.952376
"266615"	660.111168	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+ACN+Na"	64.015768
"1241180"	362.063468	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+ACN+Na"	64.015768
"1725935"	362.086993	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+NH4+HCOOH"	64.039293
"1188370"	122.338451333333	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+3Na"	68.967654
"1661543"	367.042388	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Na+HCOOH"	68.994688
"169867"	673.01444	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+2K-H"	76.91904
"607967"	971.06214	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+2K-H"	76.91904
"1093574"	374.96674	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2K-H"	76.91904
"150392"	337.010858	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"2M+2K"	77.926316
"592139"	486.034708	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"3M+2K"	77.926316
"1079932"	187.987008	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2K"	77.926316
"1110956"	376.981292	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2K+H"	78.933592
"1346246"	377.068907	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+DMSO+H"	79.021207
"1012586"	381.108076	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2ACN+H"	83.060376
"1536911"	382.101708	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+IsoProp+Na+H"	84.054008
"1004818"	191.057676	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+2ACN+2H"	84.067652
"1596039"	383.016328	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+K+HCOOH"	84.968628
"1428257"	413.047838	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+H+CF3COOH"	115.000138
"1158546"	211.570951	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+3ACN+2H"	125.094202
"1709189"	430.074385	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+NH4+CF3COOH"	132.026685
"1640468"	435.02978	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+Na+CF3COOH"	136.98208
"1584866"	451.00372	"C10202"	"Bowdichione"	"C16H10O6"	"298.0477"	"M+K+CF3COOH"	152.95602
"815237"	300.0634	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M"	0
"984395"	281.04501	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"68263"	199.034990666667	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"508915"	299.056124	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"893282"	99.0138573333333	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"14772"	299.056124	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"453606"	449.087824	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"830313"	149.024424	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"89213"	599.119524	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"529867"	899.182924	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"904389"	299.056124	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"54389"	616.146071	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"499420"	916.209471	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"872849"	316.082671	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"42936"	621.101466	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"485540"	921.164866	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"861394"	321.038066	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1633731"	321.038066	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"108314"	317.044463	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"547873"	467.076163	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"938349"	167.012763	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"280917"	635.096202	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"673220"	935.159602	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1286712"	335.032802	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"30121"	637.075406	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"464946"	937.138806	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"835092"	337.012006	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1561862"	337.012006	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"957892"	345.061594	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"375744"	645.125001	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"358043"	659.140651	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1506510"	359.077251	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"964938"	367.043551	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"111659"	335.032802	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"559237"	485.064502	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1025485"	185.001102	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1246156"	378.982285	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1308604"	381.038272	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1322820"	403.020229	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"917159"	413.048986	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1304001"	449.025664	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1377502"	265.050724	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1394997"	283.0607	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"297969"	601.134076	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"689658"	901.197476	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1366788"	301.070676	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"140973"	301.070676	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"580770"	451.102376	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1051888"	151.038976	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"219417"	201.049542666667	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"658976"	301.070676	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1177590"	101.028409333333	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"438553"	618.160623	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"799669"	918.224023	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1693079"	318.097223	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"339172"	309.5839495	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"731595"	459.6156495	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1486509"	159.5522495	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"406286"	623.116018	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"767889"	923.179418	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1615015"	323.052618	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"328946"	312.061647	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"720633"	462.093347	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1472749"	162.029947	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1062717"	108.355723333333	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1265488"	333.096886	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"391727"	639.089958	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"750529"	939.153358	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1552581"	339.026558	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"311945"	320.048617	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"704365"	470.080317	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1452715"	170.016917	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"247516"	642.160626	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1218405"	342.097226	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1202289"	171.552251	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"199896"	645.09796	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"636905"	945.16136	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1141871"	345.03456	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"184067"	323.052618	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"624357"	473.084318	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1127859"	173.020918	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1411022"	115.683037333333	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1440221"	347.076146	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"228825"	328.08564	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1513607"	361.12819	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"422409"	331.039588	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"784623"	481.071288	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1680833"	181.007888	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"266644"	664.142568	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1240812"	364.079168	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1726410"	364.102693	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1187389"	123.010351333333	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1662385"	369.058088	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"167790"	677.04584	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"608807"	977.10924	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1094777"	376.98244	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"151230"	339.026558	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"592249"	489.058258	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1078950"	188.994858	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1109973"	378.996992	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1348180"	379.084607	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1011603"	383.123776	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1537021"	384.117408	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"1003835"	192.065526	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1599430"	385.032028	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1427274"	415.063538	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1156469"	212.578801	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1709299"	432.090085	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1641672"	437.04548	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1581696"	453.01942	"C10203"	"Cajanin"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"808782"	316.0947	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M"	0
"985598"	297.07631	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-H2O-H"	-19.01839
"68373"	209.722524	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M-3H"	-3.021828
"504772"	315.087424	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M-3H"	-3.021828
"891205"	104.357624	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-3H"	-3.021828
"12331"	315.087424	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M-2H"	-2.014552
"454080"	473.134774	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M-2H"	-2.014552
"828234"	157.040074	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-2H"	-2.014552
"93211"	631.182124	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M-H"	-1.007276
"527790"	947.276824	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M-H"	-1.007276
"905591"	315.087424	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-H"	-1.007276
"54499"	648.208671	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M-2H+NH4"	16.019271
"500625"	964.303371	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M-2H+NH4"	16.019271
"874782"	332.113971	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-2H+NH4"	16.019271
"46329"	653.164066	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M-2H+Na"	20.974666
"484796"	969.258766	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M-2H+Na"	20.974666
"862597"	337.069366	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-2H+Na"	20.974666
"1628853"	337.069366	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Na-2H"	20.974666
"108424"	333.075763	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M-H+Cl"	33.962126
"546039"	491.123113	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M-H+Cl"	33.962126
"940526"	175.028413	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-H+Cl"	33.962126
"281151"	667.158802	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+Cl"	34.969402
"673694"	983.253502	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+Cl"	34.969402
"1287435"	351.064102	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Cl"	34.969402
"28772"	669.138006	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M-2H+K"	36.948606
"459952"	985.232706	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M-2H+K"	36.948606
"836296"	353.043306	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-2H+K"	36.948606
"1560879"	353.043306	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+K-2H"	36.948606
"957151"	361.092894	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-H+HCOOH"	44.998194
"373544"	677.187601	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+HCOOH-H"	44.998201
"355236"	691.203251	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+Hac-H"	59.013851
"1506620"	375.108551	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Hac-H"	59.013851
"972339"	383.074851	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-H+NaCOOH"	66.980151
"115049"	351.064102	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+2Cl"	69.938804
"562263"	509.111452	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+2Cl"	69.938804
"1026688"	193.016752	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2Cl"	69.938804
"1246266"	395.013585	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Br"	78.918885
"1309808"	397.069572	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Cl+HCOOH"	80.974872
"1323658"	419.051529	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Cl+NaCOOH"	102.956829
"917269"	429.080286	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M-H+CF3COOH"	112.985586
"1301639"	465.056964	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Cl+CF3COOH"	148.962264
"1371051"	281.082024	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H-2H2O"	-35.012676
"1392920"	299.092	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H-H2O"	-17.0027
"295523"	633.196676	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+H"	1.007276
"691298"	949.291376	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+H"	1.007276
"1366498"	317.101976	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H"	1.007276
"141250"	317.101976	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+2H"	2.014552
"581004"	475.149326	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+2H"	2.014552
"1051874"	159.054626	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2H"	2.014552
"219917"	211.737076	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+3H"	3.021828
"657747"	317.101976	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+3H"	3.021828
"1177943"	106.372176	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+3H"	3.021828
"436959"	650.223223	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+NH4"	18.033823
"799048"	966.317923	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+NH4"	18.033823
"1693189"	334.128523	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+NH4"	18.033823
"340375"	325.6152495	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+H+NH4"	19.041099
"732798"	483.6625995	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+H+NH4"	19.041099
"1486619"	167.5678995	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H+NH4"	19.041099
"407487"	655.178618	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+Na"	22.989218
"768970"	971.273318	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+Na"	22.989218
"1614396"	339.083918	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Na"	22.989218
"326620"	328.092947	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+H+Na"	23.996494
"719041"	486.140297	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+H+Na"	23.996494
"1472859"	170.045597	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H+Na"	23.996494
"1060640"	113.69949	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2H+Na"	25.00377
"1264505"	349.128186	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+CH3OH+H"	33.033486
"392322"	671.152558	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+K"	38.963158
"752825"	987.247258	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+K"	38.963158
"1553784"	355.057858	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+K"	38.963158
"309867"	336.079917	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+H+K"	39.970434
"701195"	494.127267	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+H+K"	39.970434
"1452824"	178.032567	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H+K"	39.970434
"245803"	674.223226	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+ACN+H"	42.033826
"1216328"	358.128526	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+ACN+H"	42.033826
"1203491"	179.567901	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+ACN+2H"	43.041102
"196360"	677.16056	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+2Na-H"	44.97116
"634829"	993.25526	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+2Na-H"	44.97116
"1141252"	361.06586	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2Na-H"	44.97116
"182718"	339.083918	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+2Na"	45.978436
"624466"	497.131268	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+2Na"	45.978436
"1125783"	181.036568	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2Na"	45.978436
"1411132"	121.026804	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H+2Na"	46.985712
"1435958"	363.107446	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H+HCOOH"	47.012746
"222374"	344.11694	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+3H2O+2H"	56.04448
"1511530"	377.15949	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+IsoProp+H"	61.06479
"415592"	347.070888	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+Na+K"	61.952376
"783152"	505.118238	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+Na+K"	61.952376
"1680579"	189.023538	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Na+K"	61.952376
"266265"	696.205168	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+ACN+Na"	64.015768
"1240919"	380.110468	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+ACN+Na"	64.015768
"1725063"	380.133993	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+NH4+HCOOH"	64.039293
"1191510"	128.354118	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+3Na"	68.967654
"1662493"	385.089388	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Na+HCOOH"	68.994688
"168264"	709.10844	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+2K-H"	76.91904
"607826"	1025.20314	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+2K-H"	76.91904
"1093793"	393.01374	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2K-H"	76.91904
"152796"	355.057858	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"2M+2K"	77.926316
"592359"	513.105208	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"3M+2K"	77.926316
"1080154"	197.010508	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2K"	77.926316
"1110080"	395.028292	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2K+H"	78.933592
"1348654"	395.115907	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+DMSO+H"	79.021207
"1010621"	399.155076	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2ACN+H"	83.060376
"1537495"	400.148708	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+IsoProp+Na+H"	84.054008
"1004797"	200.081176	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+2ACN+2H"	84.067652
"1598446"	401.063328	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+K+HCOOH"	84.968628
"1426292"	431.094838	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+H+CF3COOH"	115.000138
"1157673"	220.594451	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+3ACN+2H"	125.094202
"1709409"	448.121385	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+NH4+CF3COOH"	132.026685
"1641782"	453.07678	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+Na+CF3COOH"	136.98208
"1581806"	469.05072	"C10204"	"Cajanol"	"C17H16O6"	"316.0947"	"M+K+CF3COOH"	152.95602
"807799"	268.0372	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M"	0
"984615"	249.01881	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-H2O-H"	-19.01839
"68483"	177.684190666667	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M-3H"	-3.021828
"505855"	267.029924	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M-3H"	-3.021828
"893136"	88.3384573333333	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-3H"	-3.021828
"12077"	267.029924	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M-2H"	-2.014552
"451635"	401.048524	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M-2H"	-2.014552
"827980"	133.011324	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-2H"	-2.014552
"89068"	535.067124	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M-H"	-1.007276
"525713"	803.104324	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M-H"	-1.007276
"902421"	267.029924	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-H"	-1.007276
"53516"	552.093671	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M-2H+NH4"	16.019271
"499641"	820.130871	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M-2H+NH4"	16.019271
"877444"	284.056471	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-2H+NH4"	16.019271
"46318"	557.049066	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M-2H+Na"	20.974666
"481624"	825.086266	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M-2H+Na"	20.974666
"864093"	289.011866	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-2H+Na"	20.974666
"1632243"	289.011866	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Na-2H"	20.974666
"109020"	285.018263	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M-H+Cl"	33.962126
"547242"	419.036863	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M-H+Cl"	33.962126
"940757"	150.999663	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-H+Cl"	33.962126
"282197"	571.043802	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+Cl"	34.969402
"673804"	839.081002	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+Cl"	34.969402
"1287992"	303.006602	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Cl"	34.969402
"29854"	573.023006	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M-2H+K"	36.948606
"462978"	841.060206	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M-2H+K"	36.948606
"838593"	304.985806	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-2H+K"	36.948606
"1559895"	304.985806	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+K-2H"	36.948606
"956532"	313.035394	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-H+HCOOH"	44.998194
"375111"	581.072601	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+HCOOH-H"	44.998201
"356075"	595.088251	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+Hac-H"	59.013851
"1503814"	327.051051	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Hac-H"	59.013851
"971722"	335.017351	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-H+NaCOOH"	66.980151
"115159"	303.006602	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+2Cl"	69.938804
"553625"	437.025202	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+2Cl"	69.938804
"1024611"	168.988002	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2Cl"	69.938804
"1244189"	346.956085	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Br"	78.918885
"1306637"	349.012072	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Cl+HCOOH"	80.974872
"1323039"	370.994029	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Cl+NaCOOH"	102.956829
"913733"	381.022786	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M-H+CF3COOH"	112.985586
"1301749"	416.999464	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Cl+CF3COOH"	148.962264
"1370067"	233.024524	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H-2H2O"	-35.012676
"1385376"	251.0345	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H-H2O"	-17.0027
"287250"	537.081676	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+H"	1.007276
"688421"	805.118876	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+H"	1.007276
"1365501"	269.044476	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H"	1.007276
"141189"	269.044476	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+2H"	2.014552
"581114"	403.063076	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+2H"	2.014552
"1051615"	135.025876	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2H"	2.014552
"219027"	179.698742666667	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+3H"	3.021828
"656762"	269.044476	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+3H"	3.021828
"1175984"	90.3530093333333	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+3H"	3.021828
"434881"	554.108223	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+NH4"	18.033823
"798064"	822.145423	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+NH4"	18.033823
"1692206"	286.071023	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+NH4"	18.033823
"340485"	277.5577495	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+H+NH4"	19.041099
"730721"	411.5763495	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+H+NH4"	19.041099
"1485636"	143.5391495	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H+NH4"	19.041099
"407597"	559.063618	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+Na"	22.989218
"764219"	827.100818	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+Na"	22.989218
"1614504"	291.026418	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Na"	22.989218
"326364"	280.035447	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+H+Na"	23.996494
"720245"	414.054047	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+H+Na"	23.996494
"1469691"	146.016847	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H+Na"	23.996494
"1060750"	97.6803233333333	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2H+Na"	25.00377
"1265708"	301.070686	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+CH3OH+H"	33.033486
"392631"	575.037558	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+K"	38.963158
"753948"	843.074758	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+K"	38.963158
"1553894"	307.000358	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+K"	38.963158
"313256"	288.022417	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+H+K"	39.970434
"702398"	422.041017	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+H+K"	39.970434
"1457310"	154.003817	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H+K"	39.970434
"245914"	578.108226	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+ACN+H"	42.033826
"1217531"	310.071026	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+ACN+H"	42.033826
"1204694"	155.539151	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+ACN+2H"	43.041102
"196470"	581.04556	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+2Na-H"	44.97116
"638218"	849.08276	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+2Na-H"	44.97116
"1143548"	313.00836	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2Na-H"	44.97116
"182828"	291.026418	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+2Na"	45.978436
"625669"	425.045018	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+2Na"	45.978436
"1128079"	157.007818	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2Na"	45.978436
"1412701"	105.007637333333	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H+2Na"	46.985712
"1439347"	315.049946	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H+HCOOH"	47.012746
"226857"	296.05944	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+3H2O+2H"	56.04448
"1514191"	329.10199	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+IsoProp+H"	61.06479
"415702"	299.013388	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+Na+K"	61.952376
"782167"	433.031988	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+Na+K"	61.952376
"1678135"	164.994788	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Na+K"	61.952376
"266732"	600.090168	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+ACN+Na"	64.015768
"1240906"	332.052968	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+ACN+Na"	64.015768
"1724080"	332.076493	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+NH4+HCOOH"	64.039293
"1190891"	112.334951333333	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+3Na"	68.967654
"1662606"	337.031888	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Na+HCOOH"	68.994688
"170559"	612.99344	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+2K-H"	76.91904
"608665"	881.03064	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+2K-H"	76.91904
"1091351"	344.95624	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2K-H"	76.91904
"152907"	307.000358	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"2M+2K"	77.926316
"592470"	441.018958	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"3M+2K"	77.926316
"1081357"	172.981758	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2K"	77.926316
"1109097"	346.970792	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2K+H"	78.933592
"1349738"	347.058407	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+DMSO+H"	79.021207
"1010731"	351.097576	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2ACN+H"	83.060376
"1534325"	352.091208	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+IsoProp+Na+H"	84.054008
"1002962"	176.052426	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+2ACN+2H"	84.067652
"1598556"	353.005828	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+K+HCOOH"	84.968628
"1429076"	383.037338	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+H+CF3COOH"	115.000138
"1156689"	196.565701	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+3ACN+2H"	125.094202
"1707332"	400.063885	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+NH4+CF3COOH"	132.026685
"1641892"	405.01928	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+Na+CF3COOH"	136.98208
"1581916"	420.99322	"C10205"	"Coumestrol"	"C15H8O5"	"268.0372"	"M+K+CF3COOH"	152.95602
"809002"	354.1467	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M"	0
"982538"	335.12831	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-H2O-H"	-19.01839
"68593"	235.090524	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M-3H"	-3.021828
"505965"	353.139424	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M-3H"	-3.021828
"891424"	117.041624	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-3H"	-3.021828
"12187"	353.139424	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M-2H"	-2.014552
"451381"	530.212774	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M-2H"	-2.014552
"828454"	176.066074	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-2H"	-2.014552
"88449"	707.286124	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M-H"	-1.007276
"525823"	1061.432824	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M-H"	-1.007276
"902531"	353.139424	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-H"	-1.007276
"53626"	724.312671	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M-2H+NH4"	16.019271
"499751"	1078.459371	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M-2H+NH4"	16.019271
"877554"	370.165971	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-2H+NH4"	16.019271
"46389"	729.268066	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M-2H+Na"	20.974666
"481370"	1083.414766	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M-2H+Na"	20.974666
"861725"	375.121366	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-2H+Na"	20.974666
"1626886"	375.121366	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Na-2H"	20.974666
"108763"	371.127763	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M-H+Cl"	33.962126
"546259"	548.201113	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M-H+Cl"	33.962126
"941840"	194.054413	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-H+Cl"	33.962126
"281492"	743.262802	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+Cl"	34.969402
"674035"	1097.409502	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+Cl"	34.969402
"1288446"	389.116102	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Cl"	34.969402
"27897"	745.242006	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M-2H+K"	36.948606
"463088"	1099.388706	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M-2H+K"	36.948606
"839796"	391.095306	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-2H+K"	36.948606
"1562191"	391.095306	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+K-2H"	36.948606
"957734"	399.144894	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-H+HCOOH"	44.998194
"373761"	753.291601	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+HCOOH-H"	44.998201
"356549"	767.307251	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+Hac-H"	59.013851
"1504655"	413.160551	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Hac-H"	59.013851
"970008"	421.126851	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-H+NaCOOH"	66.980151
"111989"	389.116102	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+2Cl"	69.938804
"550697"	566.189452	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+2Cl"	69.938804
"1023628"	212.042752	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2Cl"	69.938804
"1246486"	433.065585	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Br"	78.918885
"1305652"	435.121572	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Cl+HCOOH"	80.974872
"1322784"	457.103529	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Cl+NaCOOH"	102.956829
"912870"	467.132286	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M-H+CF3COOH"	112.985586
"1294202"	503.108964	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Cl+CF3COOH"	148.962264
"1370176"	319.134024	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H-2H2O"	-35.012676
"1384392"	337.144	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H-H2O"	-17.0027
"289547"	709.300676	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+H"	1.007276
"684155"	1063.447376	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+H"	1.007276
"1364518"	355.153976	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H"	1.007276
"141056"	355.153976	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+2H"	2.014552
"579516"	532.227326	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+2H"	2.014552
"1051725"	178.080626	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2H"	2.014552
"216949"	237.105076	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+3H"	3.021828
"656872"	355.153976	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+3H"	3.021828
"1176094"	119.056176	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+3H"	3.021828
"436084"	726.327223	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+NH4"	18.033823
"795987"	1080.473923	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+NH4"	18.033823
"1693774"	372.180523	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+NH4"	18.033823
"341688"	363.6672495	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+H+NH4"	19.041099
"731924"	540.7405995	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+H+NH4"	19.041099
"1486839"	186.5938995	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H+NH4"	19.041099
"405520"	731.282618	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+Na"	22.989218
"763235"	1085.429318	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+Na"	22.989218
"1611333"	377.135918	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Na"	22.989218
"323559"	366.144947	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+H+Na"	23.996494
"715981"	543.218297	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+H+Na"	23.996494
"1467614"	189.071597	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H+Na"	23.996494
"1059767"	126.38349	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2H+Na"	25.00377
"1264725"	387.180186	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+CH3OH+H"	33.033486
"391322"	747.256558	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+K"	38.963158
"751952"	1101.403258	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+K"	38.963158
"1551453"	393.109858	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+K"	38.963158
"310086"	374.131917	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+H+K"	39.970434
"700318"	551.205267	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+H+K"	39.970434
"1453044"	197.058567	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H+K"	39.970434
"243834"	750.327226	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+ACN+H"	42.033826
"1215452"	396.180526	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+ACN+H"	42.033826
"1200429"	198.593901	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+ACN+2H"	43.041102
"197672"	753.26456	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+2Na-H"	44.97116
"636140"	1107.41126	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+2Na-H"	44.97116
"1141833"	399.11786	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2Na-H"	44.97116
"186215"	377.135918	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+2Na"	45.978436
"626503"	554.209268	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+2Na"	45.978436
"1129282"	200.062568	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2Na"	45.978436
"1407341"	133.710804	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H+2Na"	46.985712
"1437267"	401.159446	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H+HCOOH"	47.012746
"225874"	382.16894	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+3H2O+2H"	56.04448
"1511750"	415.21149	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+IsoProp+H"	61.06479
"415812"	385.122888	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+Na+K"	61.952376
"777902"	562.196238	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+Na+K"	61.952376
"1678608"	208.049538	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Na+K"	61.952376
"266231"	772.309168	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+ACN+Na"	64.015768
"1240163"	418.162468	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+ACN+Na"	64.015768
"1725647"	418.185993	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+NH4+HCOOH"	64.039293
"1190271"	141.038118	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+3Na"	68.967654
"1661620"	423.141388	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Na+HCOOH"	68.994688
"168848"	785.21244	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+2K-H"	76.91904
"607316"	1139.35914	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+2K-H"	76.91904
"1090732"	431.06574	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2K-H"	76.91904
"151925"	393.109858	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"2M+2K"	77.926316
"593673"	570.183208	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"3M+2K"	77.926316
"1082075"	216.036508	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2K"	77.926316
"1107021"	433.080292	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2K+H"	78.933592
"1348874"	433.167907	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+DMSO+H"	79.021207
"1011935"	437.207076	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2ACN+H"	83.060376
"1536622"	438.200708	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+IsoProp+Na+H"	84.054008
"1003924"	219.107176	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+2ACN+2H"	84.067652
"1599760"	439.115328	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+K+HCOOH"	84.968628
"1427971"	469.146838	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+H+CF3COOH"	115.000138
"1157892"	239.620451	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+3ACN+2H"	125.094202
"1707442"	486.173385	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+NH4+CF3COOH"	132.026685
"1642002"	491.12878	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+Na+CF3COOH"	136.98208
"1582026"	507.10272	"C10206"	"Cristacarpin"	"C21H22O5"	"354.1467"	"M+K+CF3COOH"	152.95602
"809115"	354.1103	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M"	0
"982647"	335.09191	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-H2O-H"	-19.01839
"70889"	235.066257333333	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M-3H"	-3.021828
"511544"	353.103024	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M-3H"	-3.021828
"887157"	117.029490666667	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-3H"	-3.021828
"7920"	353.103024	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M-2H"	-2.014552
"451856"	530.158174	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M-2H"	-2.014552
"831850"	176.047874	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-2H"	-2.014552
"92935"	707.213324	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M-H"	-1.007276
"532496"	1061.323624	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M-H"	-1.007276
"907015"	353.103024	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-H"	-1.007276
"55922"	724.239871	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M-2H+NH4"	16.019271
"494391"	1078.350171	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M-2H+NH4"	16.019271
"878028"	370.129571	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-2H+NH4"	16.019271
"46293"	729.195266	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M-2H+Na"	20.974666
"479660"	1083.305566	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M-2H+Na"	20.974666
"862206"	375.084966	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-2H+Na"	20.974666
"1633844"	375.084966	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Na-2H"	20.974666
"108512"	371.091363	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M-H+Cl"	33.962126
"547461"	548.146513	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M-H+Cl"	33.962126
"940977"	194.036213	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-H+Cl"	33.962126
"281723"	743.190002	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+Cl"	34.969402
"673049"	1097.300302	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+Cl"	34.969402
"1286544"	389.079702	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Cl"	34.969402
"26914"	745.169206	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M-2H+K"	36.948606
"463198"	1099.279506	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M-2H+K"	36.948606
"844284"	391.058906	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-2H+K"	36.948606
"1568865"	391.058906	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+K-2H"	36.948606
"953467"	399.108494	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-H+HCOOH"	44.998194
"374962"	753.218801	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+HCOOH-H"	44.998201
"356659"	767.234451	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+Hac-H"	59.013851
"1504398"	413.124151	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Hac-H"	59.013851
"971211"	421.090451	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-H+NaCOOH"	66.980151
"118658"	389.079702	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+2Cl"	69.938804
"558218"	566.134852	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+2Cl"	69.938804
"1022646"	212.024552	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2Cl"	69.938804
"1245504"	433.029185	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Br"	78.918885
"1305763"	435.085172	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Cl+HCOOH"	80.974872
"1322161"	457.067129	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Cl+NaCOOH"	102.956829
"912740"	467.095886	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M-H+CF3COOH"	112.985586
"1296501"	503.072564	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Cl+CF3COOH"	148.962264
"1372474"	319.097624	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H-2H2O"	-35.012676
"1385597"	337.1076	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H-H2O"	-17.0027
"287469"	709.227876	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+H"	1.007276
"686454"	1063.338176	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+H"	1.007276
"1360615"	355.117576	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H"	1.007276
"135689"	355.117576	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+2H"	2.014552
"579625"	532.172726	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+2H"	2.014552
"1052733"	178.062426	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2H"	2.014552
"219122"	237.080809333333	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+3H"	3.021828
"654794"	355.117576	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+3H"	3.021828
"1169638"	119.044042666667	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+3H"	3.021828
"436192"	726.254423	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+NH4"	18.033823
"794998"	1080.364723	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+NH4"	18.033823
"1693517"	372.144123	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+NH4"	18.033823
"342529"	363.6308495	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+H+NH4"	19.041099
"737990"	540.6859995	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+H+NH4"	19.041099
"1491202"	186.5756995	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H+NH4"	19.041099
"405631"	731.209818	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+Na"	22.989218
"766626"	1085.320118	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+Na"	22.989218
"1615818"	377.099518	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Na"	22.989218
"328042"	366.108547	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+H+Na"	23.996494
"716091"	543.163697	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+H+Na"	23.996494
"1468818"	189.053397	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H+Na"	23.996494
"1059877"	126.371356666667	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2H+Na"	25.00377
"1267022"	387.143786	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+CH3OH+H"	33.033486
"391432"	747.183758	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+K"	38.963158
"751333"	1101.294058	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+K"	38.963158
"1552293"	393.073458	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+K"	38.963158
"310197"	374.095517	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+H+K"	39.970434
"700428"	551.150667	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+H+K"	39.970434
"1453156"	197.040367	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H+K"	39.970434
"246132"	750.254426	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+ACN+H"	42.033826
"1219936"	396.144126	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+ACN+H"	42.033826
"1207468"	198.575701	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+ACN+2H"	43.041102
"201429"	753.19176	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+2Na-H"	44.97116
"641353"	1107.30206	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+2Na-H"	44.97116
"1145590"	399.08146	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2Na-H"	44.97116
"187422"	377.099518	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+2Na"	45.978436
"627956"	554.154668	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+2Na"	45.978436
"1130122"	200.044368	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2Na"	45.978436
"1412917"	133.698670666667	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H+2Na"	46.985712
"1437381"	401.123046	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H+HCOOH"	47.012746
"228168"	382.13254	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+3H2O+2H"	56.04448
"1519515"	415.17509	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+IsoProp+H"	61.06479
"415922"	385.086488	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+Na+K"	61.952376
"778012"	562.141638	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+Na+K"	61.952376
"1679448"	208.031338	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Na+K"	61.952376
"267009"	772.236368	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+ACN+Na"	64.015768
"1240878"	418.126068	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+ACN+Na"	64.015768
"1726847"	418.149593	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+NH4+HCOOH"	64.039293
"1189650"	141.025984666667	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+3Na"	68.967654
"1659908"	423.104988	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Na+HCOOH"	68.994688
"162396"	785.13964	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+2K-H"	76.91904
"601957"	1139.24994	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+2K-H"	76.91904
"1090844"	431.02934	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2K-H"	76.91904
"147663"	393.073458	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"2M+2K"	77.926316
"596215"	570.128608	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"3M+2K"	77.926316
"1073919"	216.018308	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2K"	77.926316
"1114666"	433.043892	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2K+H"	78.933592
"1341326"	433.131507	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+DMSO+H"	79.021207
"1009856"	437.170676	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2ACN+H"	83.060376
"1531263"	438.164308	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+IsoProp+Na+H"	84.054008
"1002086"	219.088976	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+2ACN+2H"	84.067652
"1599870"	439.078928	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+K+HCOOH"	84.968628
"1423341"	469.110438	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+H+CF3COOH"	115.000138
"1159097"	239.602251	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+3ACN+2H"	125.094202
"1703179"	486.136985	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+NH4+CF3COOH"	132.026685
"1638829"	491.09238	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+Na+CF3COOH"	136.98208
"1578857"	507.06632	"C10207"	"Cyclokievitone"	"C20H18O6"	"354.1103"	"M+K+CF3COOH"	152.95602
"805945"	254.0579	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M"	0
"975103"	235.03951	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"67718"	168.364657333333	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"503999"	253.050624	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"882893"	83.6786906666667	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"1833"	253.050624	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"441393"	380.079574	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"827217"	126.021674	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"86481"	507.108524	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"529688"	761.166424	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"904937"	253.050624	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"56031"	524.135071	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"493406"	778.192971	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"874128"	270.077171	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"43121"	529.090466	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"476484"	783.148366	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"861948"	275.032566	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1630387"	275.032566	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"106917"	271.038963	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"546476"	398.067913	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"939993"	144.010013	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"280376"	543.085202	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"672065"	797.143102	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1284467"	289.027302	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"25931"	545.064406	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"465495"	799.122306	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"843300"	291.006506	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1568975"	291.006506	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"951390"	299.056094	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"373978"	553.114001	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"350209"	567.129651	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1501228"	313.071751	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"970591"	321.038051	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"117675"	289.027302	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"558328"	416.056252	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1021415"	161.998352	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1243428"	332.976785	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1305874"	335.032772	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1321178"	357.014729	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"915524"	367.043486	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1294425"	403.020164	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1370399"	219.045224	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1383642"	237.0552	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"286486"	509.123076	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"684377"	763.180976	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1360725"	255.065176	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"133612"	255.065176	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"579371"	382.094126	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1052712"	128.036226	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"214249"	170.379209333333	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"651622"	255.065176	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1167560"	85.6932426666667	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"435208"	526.149623	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"795109"	780.207523	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1690347"	272.091723	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"341911"	263.5784495	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"737249"	390.6073995	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1487060"	136.5494995	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"405740"	531.105018	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"765642"	785.162918	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1614835"	277.047118	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"326696"	266.056147	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"717295"	393.085097	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1471115"	139.027197	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1061079"	93.0205566666667	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1270049"	287.091386	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"391178"	547.078958	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"752174"	801.136858	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1550946"	293.021058	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"311037"	274.043117	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"698352"	401.072067	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1453266"	147.014167	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"246242"	550.149626	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1216766"	296.091726	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1206120"	148.549501	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"198987"	553.08696	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"639638"	807.14486	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1144972"	299.02906	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"187167"	277.047118	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"627457"	404.076068	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1129140"	150.018168	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1412300"	100.347870666667	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1438581"	301.070646	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"227184"	282.08014	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1517438"	315.12269	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"412752"	285.034088	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"779214"	412.063038	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1675546"	158.005138	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"266087"	572.131568	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1241114"	318.073668	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1727687"	318.097193	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1189031"	107.675184666667	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1661111"	323.052588	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"162508"	585.03484	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"604256"	839.09274	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1092049"	330.97694	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"146679"	293.021058	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"594258"	420.050008	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1084001"	165.992108	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1114290"	332.991492	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1340343"	333.079107	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1011059"	337.118276	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1531374"	338.111908	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1000010"	169.062776	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1602412"	339.026528	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1425639"	369.058038	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1159205"	189.576051	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1703290"	386.084585	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1636025"	391.03998	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1578967"	407.01392	"C10208"	"Daidzein"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"806055"	546.1526	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M"	0
"975212"	527.13421	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-H2O-H"	-19.01839
"65641"	363.094457333333	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M-3H"	-3.021828
"509576"	545.145324	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M-3H"	-3.021828
"884096"	181.043590666667	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-3H"	-3.021828
"2672"	545.145324	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M-2H"	-2.014552
"442231"	818.221624	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M-2H"	-2.014552
"827326"	272.069024	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-2H"	-2.014552
"86591"	1091.297924	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M-H"	-1.007276
"526149"	1637.450524	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M-H"	-1.007276
"901767"	545.145324	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-H"	-1.007276
"55048"	1108.324471	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M-2H+NH4"	16.019271
"493516"	1654.477071	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M-2H+NH4"	16.019271
"874238"	562.171871	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-2H+NH4"	16.019271
"43960"	1113.279866	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M-2H+Na"	20.974666
"475501"	1659.432466	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M-2H+Na"	20.974666
"860964"	567.127266	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-2H+Na"	20.974666
"1633049"	567.127266	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Na-2H"	20.974666
"104840"	563.133663	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M-H+Cl"	33.962126
"547437"	836.209963	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M-H+Cl"	33.962126
"940103"	290.057363	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-H+Cl"	33.962126
"279754"	1127.274602	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+Cl"	34.969402
"672173"	1673.427202	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+Cl"	34.969402
"1286522"	581.122002	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Cl"	34.969402
"26040"	1129.253806	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M-2H+K"	36.948606
"466699"	1675.406406	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M-2H+K"	36.948606
"841224"	583.101206	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-2H+K"	36.948606
"1569816"	583.101206	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+K-2H"	36.948606
"955146"	591.150794	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-H+HCOOH"	44.998194
"376643"	1137.303401	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+HCOOH-H"	44.998201
"359066"	1151.319051	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+Hac-H"	59.013851
"1506077"	605.166451	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Hac-H"	59.013851
"973254"	613.132751	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-H+NaCOOH"	66.980151
"122159"	581.122002	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+2Cl"	69.938804
"562812"	854.198302	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+2Cl"	69.938804
"1026147"	308.045702	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2Cl"	69.938804
"1246819"	625.071485	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Br"	78.918885
"1309266"	627.127472	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Cl+HCOOH"	80.974872
"1324206"	649.109429	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Cl+NaCOOH"	102.956829
"918915"	659.138186	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M-H+CF3COOH"	112.985586
"1294534"	695.114864	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Cl+CF3COOH"	148.962264
"1373789"	511.139924	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H-2H2O"	-35.012676
"1389098"	529.1499	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H-H2O"	-17.0027
"289876"	1093.312476	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+H"	1.007276
"683392"	1639.465076	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+H"	1.007276
"1359742"	547.159876	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H"	1.007276
"132629"	547.159876	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+2H"	2.014552
"572190"	820.236176	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+2H"	2.014552
"1042083"	274.083576	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2H"	2.014552
"212171"	365.109009333333	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+3H"	3.021828
"650639"	547.159876	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+3H"	3.021828
"1172045"	183.058142666667	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+3H"	3.021828
"430943"	1110.339023	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+NH4"	18.033823
"790845"	1656.491623	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+NH4"	18.033823
"1689360"	564.186423	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+NH4"	18.033823
"342021"	555.6731495	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+H+NH4"	19.041099
"735536"	828.7494495	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+H+NH4"	19.041099
"1487170"	282.5968495	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H+NH4"	19.041099
"402570"	1115.294418	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+Na"	22.989218
"765753"	1661.447018	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+Na"	22.989218
"1612758"	569.141818	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Na"	22.989218
"325712"	558.150847	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+H+Na"	23.996494
"715218"	831.227147	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+H+Na"	23.996494
"1466852"	285.074547	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H+Na"	23.996494
"1060095"	190.385456666667	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2H+Na"	25.00377
"1263962"	579.186086	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+CH3OH+H"	33.033486
"389100"	1131.268358	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+K"	38.963158
"750094"	1677.420958	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+K"	38.963158
"1551055"	585.115758	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+K"	38.963158
"310782"	566.137817	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+H+K"	39.970434
"695182"	839.214117	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+H+K"	39.970434
"1453376"	293.061517	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H+K"	39.970434
"246352"	1134.339026	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+ACN+H"	42.033826
"1217969"	588.186426	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+ACN+H"	42.033826
"1206959"	294.596851	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+ACN+2H"	43.041102
"200554"	1137.27636	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+2Na-H"	44.97116
"639384"	1683.42896	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+2Na-H"	44.97116
"1145446"	591.12376	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2Na-H"	44.97116
"186912"	569.141818	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+2Na"	45.978436
"626472"	842.218118	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+2Na"	45.978436
"1129249"	296.065518	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2Na"	45.978436
"1412409"	197.712770666667	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H+2Na"	46.985712
"1437962"	593.165346	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H+HCOOH"	47.012746
"226565"	574.17484	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+3H2O+2H"	56.04448
"1517548"	607.21739	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+IsoProp+H"	61.06479
"415047"	577.128788	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+Na+K"	61.952376
"780418"	850.205088	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+Na+K"	61.952376
"1673468"	304.052488	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Na+K"	61.952376
"265104"	1156.320968	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+ACN+Na"	64.015768
"1241063"	610.168368	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+ACN+Na"	64.015768
"1726706"	610.191893	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+NH4+HCOOH"	64.039293
"1193152"	205.040084666667	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+3Na"	68.967654
"1660131"	615.147288	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Na+HCOOH"	68.994688
"164805"	1169.22424	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+2K-H"	76.91904
"605460"	1715.37684	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+2K-H"	76.91904
"1097627"	623.07164	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2K-H"	76.91904
"152257"	585.115758	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"2M+2K"	77.926316
"596803"	858.192058	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"3M+2K"	77.926316
"1083665"	312.039458	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2K"	77.926316
"1114158"	625.086192	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2K+H"	78.933592
"1340454"	625.173807	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+DMSO+H"	79.021207
"1012264"	629.212976	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2ACN+H"	83.060376
"1532579"	630.206608	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+IsoProp+Na+H"	84.054008
"1001213"	315.110126	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+2ACN+2H"	84.067652
"1600090"	631.121228	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+K+HCOOH"	84.968628
"1427570"	661.152738	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+H+CF3COOH"	115.000138
"1158221"	335.623401	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+3ACN+2H"	125.094202
"1703400"	678.179285	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+NH4+CF3COOH"	132.026685
"1636864"	683.13468	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+Na+CF3COOH"	136.98208
"1579077"	699.10862	"C10209"	"Afzelechin-(4alpha-8)-afzelechin"	"C30H26O10"	"546.1526"	"M+K+CF3COOH"	152.95602
"813456"	1870.1581	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M"	0
"982978"	1851.13971	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-H2O-H"	-19.01839
"74501"	1245.76479066667	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M-3H"	-3.021828
"511874"	1869.150824	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M-3H"	-3.021828
"887488"	622.378757333333	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-3H"	-3.021828
"10437"	1869.150824	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M-2H"	-2.014552
"448904"	2804.229874	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M-2H"	-2.014552
"829987"	934.071774	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-2H"	-2.014552
"86701"	3739.308924	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M-H"	-1.007276
"526264"	5609.467024	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M-H"	-1.007276
"904066"	1869.150824	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-H"	-1.007276
"58442"	3756.335471	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M-2H+NH4"	16.019271
"494721"	5626.493571	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M-2H+NH4"	16.019271
"878117"	1886.177371	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-2H+NH4"	16.019271
"44800"	3761.290866	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M-2H+Na"	20.974666
"483274"	5631.448966	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M-2H+Na"	20.974666
"861075"	1891.132766	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-2H+Na"	20.974666
"1629516"	1891.132766	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Na-2H"	20.974666
"103857"	1887.139163	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M-H+Cl"	33.962126
"539044"	2822.218213	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M-H+Cl"	33.962126
"939120"	952.060113	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-H+Cl"	33.962126
"280955"	3775.285602	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+Cl"	34.969402
"670097"	5645.443702	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+Cl"	34.969402
"1284687"	1905.127502	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Cl"	34.969402
"19222"	3777.264806	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M-2H+K"	36.948606
"467537"	5647.422906	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M-2H+K"	36.948606
"841334"	1907.106706	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-2H+K"	36.948606
"1568107"	1907.106706	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+K-2H"	36.948606
"955624"	1915.156294	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-H+HCOOH"	44.998194
"374568"	3785.314401	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+HCOOH-H"	44.998201
"357723"	3799.330051	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+Hac-H"	59.013851
"1504731"	1929.171951	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Hac-H"	59.013851
"966804"	1937.138251	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-H+NaCOOH"	66.980151
"121175"	1905.127502	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+2Cl"	69.938804
"562922"	2840.206552	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+2Cl"	69.938804
"1026257"	970.048452	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2Cl"	69.938804
"1246929"	1949.076985	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Br"	78.918885
"1309376"	1951.132972	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Cl+HCOOH"	80.974872
"1322496"	1973.114929	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Cl+NaCOOH"	102.956829
"917931"	1983.143686	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M-H+CF3COOH"	112.985586
"1294644"	2019.120364	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Cl+CF3COOH"	148.962264
"1371712"	1835.145424	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H-2H2O"	-35.012676
"1389206"	1853.1554	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H-H2O"	-17.0027
"289986"	3741.323476	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+H"	1.007276
"681313"	5611.481576	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+H"	1.007276
"1356571"	1871.165376	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H"	1.007276
"131646"	1871.165376	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+2H"	2.014552
"574489"	2806.244426	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+2H"	2.014552
"1043651"	936.086326	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2H"	2.014552
"211188"	1247.77934266667	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+3H"	3.021828
"652936"	1871.165376	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+3H"	3.021828
"1169969"	624.393309333333	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+3H"	3.021828
"432147"	3758.350023	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+NH4"	18.033823
"792049"	5628.508123	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+NH4"	18.033823
"1687284"	1888.191923	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+NH4"	18.033823
"342139"	1879.6786495	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+H+NH4"	19.041099
"734559"	2814.7576995	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+H+NH4"	19.041099
"1488378"	944.5995995	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H+NH4"	19.041099
"405597"	3763.305418	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+Na"	22.989218
"765863"	5633.463518	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+Na"	22.989218
"1612868"	1893.147318	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Na"	22.989218
"323998"	1882.156347	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+H+Na"	23.996494
"714231"	2817.235397	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+H+Na"	23.996494
"1464775"	947.077297	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H+Na"	23.996494
"1060208"	631.720623333333	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2H+Na"	25.00377
"1266263"	1903.191586	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+CH3OH+H"	33.033486
"390669"	3779.279358	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+K"	38.963158
"752758"	5649.437458	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+K"	38.963158
"1553352"	1909.121258	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+K"	38.963158
"311989"	1890.143317	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+H+K"	39.970434
"701853"	2825.222367	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+H+K"	39.970434
"1456768"	955.064267	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H+K"	39.970434
"246463"	3782.350026	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+ACN+H"	42.033826
"1218078"	1912.191926	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+ACN+H"	42.033826
"1205973"	956.599601	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+ACN+2H"	43.041102
"199937"	3785.28736	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+2Na-H"	44.97116
"640955"	5655.44546	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+2Na-H"	44.97116
"1145556"	1915.12926	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2Na-H"	44.97116
"187996"	1893.147318	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+2Na"	45.978436
"626220"	2828.226368	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+2Na"	45.978436
"1129358"	958.068268	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2Na"	45.978436
"1412516"	639.047937333333	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H+2Na"	46.985712
"1437707"	1917.170846	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H+HCOOH"	47.012746
"225214"	1898.18034	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+3H2O+2H"	56.04448
"1512188"	1931.22289	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+IsoProp+H"	61.06479
"416249"	1901.134288	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+Na+K"	61.952376
"779435"	2836.213338	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+Na+K"	61.952376
"1676860"	966.055238	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Na+K"	61.952376
"264120"	3804.331968	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+ACN+Na"	64.015768
"1240842"	1934.173868	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+ACN+Na"	64.015768
"1727425"	1934.197393	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+NH4+HCOOH"	64.039293
"1193020"	646.375251333333	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+3Na"	68.967654
"1662794"	1939.152788	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Na+HCOOH"	68.994688
"170019"	3817.23524	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+2K-H"	76.91904
"604477"	5687.39334	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+2K-H"	76.91904
"1098225"	1947.07714	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2K-H"	76.91904
"155043"	1909.121258	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"2M+2K"	77.926316
"595453"	2844.200308	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"3M+2K"	77.926316
"1082518"	974.042208	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2K"	77.926316
"1114998"	1949.091692	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2K+H"	78.933592
"1341657"	1949.179307	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+DMSO+H"	79.021207
"1008001"	1953.218476	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2ACN+H"	83.060376
"1527219"	1954.212108	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+IsoProp+Na+H"	84.054008
"1001324"	977.112876	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+2ACN+2H"	84.067652
"1600201"	1955.126728	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+K+HCOOH"	84.968628
"1425858"	1985.158238	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+H+CF3COOH"	115.000138
"1159426"	997.626151	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+3ACN+2H"	125.094202
"1699134"	2002.184785	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+NH4+CF3COOH"	132.026685
"1641349"	2007.14018	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+Na+CF3COOH"	136.98208
"1579187"	2023.11412	"C10210"	"Agrimoniin"	"C82H54O52"	"1870.1581"	"M+K+CF3COOH"	152.95602
"809554"	934.0712	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M"	0
"977620"	915.05281	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-H2O-H"	-19.01839
"69141"	621.706857333333	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M-3H"	-3.021828
"509795"	933.063924	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M-3H"	-3.021828
"884318"	310.349790666667	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-3H"	-3.021828
"6172"	933.063924	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M-2H"	-2.014552
"443547"	1400.099524	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M-2H"	-2.014552
"823536"	466.028324	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-2H"	-2.014552
"90091"	1867.135124	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M-H"	-1.007276
"526374"	2801.206324	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M-H"	-1.007276
"904176"	933.063924	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-H"	-1.007276
"58552"	1884.161671	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M-2H+NH4"	16.019271
"493738"	2818.232871	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M-2H+NH4"	16.019271
"878835"	950.090471	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-2H+NH4"	16.019271
"47024"	1889.117066	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M-2H+Na"	20.974666
"484479"	2823.188266	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M-2H+Na"	20.974666
"861550"	955.045866	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-2H+Na"	20.974666
"1627439"	955.045866	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Na-2H"	20.974666
"101780"	951.052263	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M-H+Cl"	33.962126
"539154"	1418.087863	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M-H+Cl"	33.962126
"939230"	484.016663	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-H+Cl"	33.962126
"280701"	1903.111802	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+Cl"	34.969402
"674581"	2837.183002	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+Cl"	34.969402
"1286984"	969.040602	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Cl"	34.969402
"21887"	1905.091006	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M-2H+K"	36.948606
"468011"	2839.162206	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M-2H+K"	36.948606
"847519"	971.019806	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-2H+K"	36.948606
"1568215"	971.019806	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+K-2H"	36.948606
"956827"	979.069394	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-H+HCOOH"	44.998194
"372126"	1913.140601	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+HCOOH-H"	44.998201
"358198"	1927.156251	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+Hac-H"	59.013851
"1504841"	993.085051	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Hac-H"	59.013851
"969102"	1001.051351	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-H+NaCOOH"	66.980151
"123108"	969.040602	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+2Cl"	69.938804
"560845"	1436.076202	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+2Cl"	69.938804
"1026367"	502.005002	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2Cl"	69.938804
"1247039"	1012.990085	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Br"	78.918885
"1310579"	1015.046072	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Cl+HCOOH"	80.974872
"1325888"	1037.028029	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Cl+NaCOOH"	102.956829
"915853"	1047.056786	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M-H+CF3COOH"	112.985586
"1296940"	1083.033464	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Cl+CF3COOH"	148.962264
"1374006"	899.058524	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H-2H2O"	-35.012676
"1388222"	917.0685	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H-H2O"	-17.0027
"285721"	1869.149676	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+H"	1.007276
"679236"	2803.220876	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+H"	1.007276
"1361053"	935.078476	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H"	1.007276
"135034"	935.078476	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+2H"	2.014552
"575690"	1402.114076	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+2H"	2.014552
"1044490"	468.042876	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2H"	2.014552
"212390"	623.721409333333	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+3H"	3.021828
"653045"	935.078476	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+3H"	3.021828
"1171171"	312.364342666667	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+3H"	3.021828
"432257"	1886.176223	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+NH4"	18.033823
"793252"	2820.247423	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+NH4"	18.033823
"1684843"	952.105023	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+NH4"	18.033823
"345488"	943.5917495	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+H+NH4"	19.041099
"735762"	1410.6273495	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+H+NH4"	19.041099
"1489584"	476.5561495	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H+NH4"	19.041099
"404980"	1891.131618	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+Na"	22.989218
"767067"	2825.202818	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+Na"	22.989218
"1614071"	957.060418	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Na"	22.989218
"323015"	946.069447	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+H+Na"	23.996494
"713248"	1413.105047	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+H+Na"	23.996494
"1464885"	479.033847	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H+Na"	23.996494
"1059225"	319.691656666667	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2H+Na"	25.00377
"1267465"	967.104686	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+CH3OH+H"	33.033486
"388227"	1907.105558	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+K"	38.963158
"754008"	2841.176758	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+K"	38.963158
"1555129"	973.034358	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+K"	38.963158
"314009"	954.056417	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+H+K"	39.970434
"703056"	1421.092017	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+H+K"	39.970434
"1456878"	487.020817	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H+K"	39.970434
"249855"	1910.176226	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+ACN+H"	42.033826
"1220374"	976.105026	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+ACN+H"	42.033826
"1206447"	488.556151	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+ACN+2H"	43.041102
"200774"	1913.11356	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+2Na-H"	44.97116
"640702"	2847.18476	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+2Na-H"	44.97116
"1144937"	979.04236	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2Na-H"	44.97116
"187622"	957.060418	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+2Na"	45.978436
"626695"	1424.096018	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+2Na"	45.978436
"1129347"	490.024818	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2Na"	45.978436
"1408981"	327.018970666667	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H+2Na"	46.985712
"1439639"	981.083946	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H+HCOOH"	47.012746
"226418"	962.09344	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+3H2O+2H"	56.04448
"1515578"	995.13599	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+IsoProp+H"	61.06479
"415266"	965.047388	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+Na+K"	61.952376
"778452"	1432.082988	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+Na+K"	61.952376
"1676970"	498.011788	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Na+K"	61.952376
"264595"	1932.158168	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+ACN+Na"	64.015768
"1241073"	998.086968	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+ACN+Na"	64.015768
"1727939"	998.110493	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+NH4+HCOOH"	64.039293
"1192279"	334.346284666667	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+3Na"	68.967654
"1664120"	1003.065888	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Na+HCOOH"	68.994688
"171467"	1945.06144	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+2K-H"	76.91904
"611145"	2879.13264	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+2K-H"	76.91904
"1096023"	1010.99024	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2K-H"	76.91904
"155274"	973.034358	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"2M+2K"	77.926316
"595077"	1440.069958	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"3M+2K"	77.926316
"1083357"	505.998758	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2K"	77.926316
"1114751"	1013.004792	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2K+H"	78.933592
"1341768"	1013.092407	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+DMSO+H"	79.021207
"1010298"	1017.131576	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2ACN+H"	83.060376
"1528423"	1018.125208	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+IsoProp+Na+H"	84.054008
"1000341"	509.069426	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+2ACN+2H"	84.067652
"1598123"	1019.039828	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+K+HCOOH"	84.968628
"1427061"	1049.071338	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+H+CF3COOH"	115.000138
"1160266"	529.582701	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+3ACN+2H"	125.094202
"1699608"	1066.097885	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+NH4+CF3COOH"	132.026685
"1642552"	1071.05328	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+Na+CF3COOH"	136.98208
"1579297"	1087.02722	"C10211"	"Alnusiin"	"C41H26O26"	"934.0712"	"M+K+CF3COOH"	152.95602
"809664"	936.0869	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M"	0
"976637"	917.06851	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-H2O-H"	-19.01839
"69251"	623.050657333333	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M-3H"	-3.021828
"506625"	935.079624	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M-3H"	-3.021828
"884428"	311.021690666667	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-3H"	-3.021828
"7376"	935.079624	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M-2H"	-2.014552
"442564"	1403.123074	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M-2H"	-2.014552
"823646"	467.036174	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-2H"	-2.014552
"90201"	1871.166524	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M-H"	-1.007276
"529764"	2807.253424	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M-H"	-1.007276
"904286"	935.079624	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-H"	-1.007276
"56475"	1888.193071	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M-2H+NH4"	16.019271
"497128"	2824.279971	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M-2H+NH4"	16.019271
"877727"	952.106171	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-2H+NH4"	16.019271
"45507"	1893.148466	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M-2H+Na"	20.974666
"483495"	2829.235366	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M-2H+Na"	20.974666
"860931"	957.061566	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-2H+Na"	20.974666
"1628643"	957.061566	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Na-2H"	20.974666
"101890"	953.067963	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M-H+Cl"	33.962126
"542544"	1421.111413	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M-H+Cl"	33.962126
"940432"	485.024513	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-H+Cl"	33.962126
"280082"	1907.143202	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+Cl"	34.969402
"674691"	2843.230102	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+Cl"	34.969402
"1287581"	971.056302	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Cl"	34.969402
"23091"	1909.122406	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M-2H+K"	36.948606
"468121"	2845.209306	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M-2H+K"	36.948606
"844834"	973.035506	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-2H+K"	36.948606
"1569054"	973.035506	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+K-2H"	36.948606
"954019"	981.085094	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-H+HCOOH"	44.998194
"372234"	1917.172001	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+HCOOH-H"	44.998201
"357944"	1931.187651	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+Hac-H"	59.013851
"1504587"	995.100751	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Hac-H"	59.013851
"968119"	1003.067051	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-H+NaCOOH"	66.980151
"123582"	971.056302	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+2Cl"	69.938804
"557675"	1439.099752	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+2Cl"	69.938804
"1026477"	503.012852	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2Cl"	69.938804
"1246056"	1015.005785	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Br"	78.918885
"1310689"	1017.061772	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Cl+HCOOH"	80.974872
"1325998"	1039.043729	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Cl+NaCOOH"	102.956829
"919243"	1049.072486	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M-H+CF3COOH"	112.985586
"1297050"	1085.049164	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Cl+CF3COOH"	148.962264
"1374116"	901.074224	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H-2H2O"	-35.012676
"1388332"	919.0842	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H-H2O"	-17.0027
"285831"	1873.181076	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+H"	1.007276
"680439"	2809.267976	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+H"	1.007276
"1361164"	937.094176	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H"	1.007276
"132958"	937.094176	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+2H"	2.014552
"576893"	1405.137626	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+2H"	2.014552
"1050067"	469.050726	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2H"	2.014552
"213595"	625.065209333333	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+3H"	3.021828
"655342"	937.094176	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+3H"	3.021828
"1173469"	313.036242666667	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+3H"	3.021828
"432731"	1890.207623	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+NH4"	18.033823
"793362"	2826.294523	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+NH4"	18.033823
"1686046"	954.120723	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+NH4"	18.033823
"340169"	945.6074495	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+H+NH4"	19.041099
"733686"	1413.6508995	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+H+NH4"	19.041099
"1487505"	477.5639995	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H+NH4"	19.041099
"403998"	1895.163018	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+Na"	22.989218
"763898"	2831.249918	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+Na"	22.989218
"1613090"	959.076118	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Na"	22.989218
"322032"	948.085147	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+H+Na"	23.996494
"712265"	1416.128597	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+H+Na"	23.996494
"1464995"	480.041697	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H+Na"	23.996494
"1060428"	320.363556666667	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2H+Na"	25.00377
"1262108"	969.120386	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+CH3OH+H"	33.033486
"386150"	1911.136958	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+K"	38.963158
"754187"	2847.223858	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+K"	38.963158
"1555524"	975.050058	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+K"	38.963158
"312208"	956.072117	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+H+K"	39.970434
"699887"	1424.115567	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+H+K"	39.970434
"1456988"	488.028667	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H+K"	39.970434
"250329"	1914.207626	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+ACN+H"	42.033826
"1219391"	978.120726	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+ACN+H"	42.033826
"1206193"	489.564001	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+ACN+2H"	43.041102
"200519"	1917.14496	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+2Na-H"	44.97116
"641539"	2853.23186	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+2Na-H"	44.97116
"1144319"	981.05806	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2Na-H"	44.97116
"186514"	959.076118	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+2Na"	45.978436
"626073"	1427.119568	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+2Na"	45.978436
"1126661"	491.032668	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2Na"	45.978436
"1406904"	327.690870666667	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H+2Na"	46.985712
"1437927"	983.099646	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H+HCOOH"	47.012746
"225435"	964.10914	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+3H2O+2H"	56.04448
"1512408"	997.15169	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+IsoProp+H"	61.06479
"413189"	967.063088	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+Na+K"	61.952376
"778562"	1435.106538	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+Na+K"	61.952376
"1675987"	499.019638	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Na+K"	61.952376
"262508"	1936.189568	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+ACN+Na"	64.015768
"1240330"	1000.102668	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+ACN+Na"	64.015768
"1726663"	1000.126193	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+NH4+HCOOH"	64.039293
"1193847"	335.018184666667	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+3Na"	68.967654
"1664472"	1005.081588	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Na+HCOOH"	68.994688
"170241"	1949.09284	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+2K-H"	76.91904
"611255"	2885.17974	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+2K-H"	76.91904
"1096494"	1013.00594	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2K-H"	76.91904
"153683"	975.050058	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"2M+2K"	77.926316
"595431"	1443.093508	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"3M+2K"	77.926316
"1080671"	507.006608	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2K"	77.926316
"1114732"	1015.020492	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2K+H"	78.933592
"1340784"	1015.108107	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+DMSO+H"	79.021207
"1008342"	1019.147276	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2ACN+H"	83.060376
"1527440"	1020.140908	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+IsoProp+Na+H"	84.054008
"994982"	510.077276	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+2ACN+2H"	84.067652
"1593860"	1021.055528	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+K+HCOOH"	84.968628
"1423893"	1051.087038	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+H+CF3COOH"	115.000138
"1158553"	530.590551	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+3ACN+2H"	125.094202
"1702634"	1068.113585	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+NH4+CF3COOH"	132.026685
"1640476"	1073.06898	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+Na+CF3COOH"	136.98208
"1579407"	1089.04292	"C10212"	"Casuarictin"	"C41H28O26"	"936.0869"	"M+K+CF3COOH"	152.95602
"813055"	936.0869	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M"	0
"977840"	917.06851	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-H2O-H"	-19.01839
"70454"	623.050657333333	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M-3H"	-3.021828
"506735"	935.079624	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M-3H"	-3.021828
"887818"	311.021690666667	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-3H"	-3.021828
"8579"	935.079624	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M-2H"	-2.014552
"445954"	1403.123074	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M-2H"	-2.014552
"824849"	467.036174	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-2H"	-2.014552
"92986"	1871.166524	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M-H"	-1.007276
"526591"	2807.253424	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M-H"	-1.007276
"904396"	935.079624	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-H"	-1.007276
"56585"	1888.193071	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M-2H+NH4"	16.019271
"495051"	2824.279971	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M-2H+NH4"	16.019271
"875042"	952.106171	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-2H+NH4"	16.019271
"44646"	1893.148466	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M-2H+Na"	20.974666
"483598"	2829.235366	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M-2H+Na"	20.974666
"859584"	957.061566	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-2H+Na"	20.974666
"1625474"	957.061566	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Na-2H"	20.974666
"100907"	953.067963	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M-H+Cl"	33.962126
"542655"	1421.111413	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M-H+Cl"	33.962126
"940542"	485.024513	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-H+Cl"	33.962126
"278005"	1907.143202	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+Cl"	34.969402
"675549"	2843.230102	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+Cl"	34.969402
"1286840"	971.056302	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Cl"	34.969402
"26481"	1909.122406	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M-2H+K"	36.948606
"469326"	2845.209306	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M-2H+K"	36.948606
"846038"	973.035506	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-2H+K"	36.948606
"1567342"	973.035506	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+K-2H"	36.948606
"953036"	981.085094	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-H+HCOOH"	44.998194
"371251"	1917.172001	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+HCOOH-H"	44.998201
"352951"	1931.187651	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+Hac-H"	59.013851
"1500687"	995.100751	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Hac-H"	59.013851
"966041"	1003.067051	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-H+NaCOOH"	66.980151
"120412"	971.056302	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+2Cl"	69.938804
"557785"	1439.099752	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+2Cl"	69.938804
"1025492"	503.012852	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2Cl"	69.938804
"1245072"	1015.005785	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Br"	78.918885
"1309706"	1017.061772	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Cl+HCOOH"	80.974872
"1326108"	1039.043729	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Cl+NaCOOH"	102.956829
"913886"	1049.072486	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M-H+CF3COOH"	112.985586
"1298253"	1085.049164	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Cl+CF3COOH"	148.962264
"1373133"	901.074224	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H-2H2O"	-35.012676
"1388442"	919.0842	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H-H2O"	-17.0027
"288128"	1873.181076	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+H"	1.007276
"682736"	2809.267976	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+H"	1.007276
"1363460"	937.094176	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H"	1.007276
"136347"	937.094176	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+2H"	2.014552
"577003"	1405.137626	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+2H"	2.014552
"1044710"	469.050726	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2H"	2.014552
"215892"	625.065209333333	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+3H"	3.021828
"651078"	937.094176	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+3H"	3.021828
"1171390"	313.036242666667	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+3H"	3.021828
"432477"	1890.207623	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+NH4"	18.033823
"793472"	2826.294523	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+NH4"	18.033823
"1686885"	954.120723	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+NH4"	18.033823
"343190"	945.6074495	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+H+NH4"	19.041099
"734885"	1413.6508995	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+H+NH4"	19.041099
"1485428"	477.5639995	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H+NH4"	19.041099
"403015"	1895.163018	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+Na"	22.989218
"761822"	2831.249918	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+Na"	22.989218
"1613200"	959.076118	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Na"	22.989218
"321049"	948.085147	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+H+Na"	23.996494
"714562"	1416.128597	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+H+Na"	23.996494
"1465105"	480.041697	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H+Na"	23.996494
"1058352"	320.363556666667	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2H+Na"	25.00377
"1262219"	969.120386	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+CH3OH+H"	33.033486
"381887"	1911.136958	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+K"	38.963158
"752359"	2847.223858	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+K"	38.963158
"1552227"	975.050058	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+K"	38.963158
"311589"	956.072117	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+H+K"	39.970434
"705344"	1424.115567	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+H+K"	39.970434
"1460137"	488.028667	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H+K"	39.970434
"246793"	1914.207626	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+ACN+H"	42.033826
"1221690"	978.120726	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+ACN+H"	42.033826
"1207396"	489.564001	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+ACN+2H"	43.041102
"200633"	1917.14496	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+2Na-H"	44.97116
"640919"	2853.23186	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+2Na-H"	44.97116
"1144187"	981.05806	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2Na-H"	44.97116
"186140"	959.076118	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+2Na"	45.978436
"625819"	1427.119568	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+2Na"	45.978436
"1125678"	491.032668	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2Na"	45.978436
"1409932"	327.690870666667	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H+2Na"	46.985712
"1442049"	983.099646	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H+HCOOH"	47.012746
"228827"	964.10914	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+3H2O+2H"	56.04448
"1515068"	997.15169	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+IsoProp+H"	61.06479
"412206"	967.063088	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+Na+K"	61.952376
"777579"	1435.106538	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+Na+K"	61.952376
"1677190"	499.019638	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Na+K"	61.952376
"264804"	1936.189568	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+ACN+Na"	64.015768
"1240199"	1000.102668	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+ACN+Na"	64.015768
"1726409"	1000.126193	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+NH4+HCOOH"	64.039293
"1193350"	335.018184666667	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+3Na"	68.967654
"1663855"	1005.081588	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Na+HCOOH"	68.994688
"169256"	1949.09284	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+2K-H"	76.91904
"610637"	2885.17974	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+2K-H"	76.91904
"1095877"	1013.00594	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2K-H"	76.91904
"155493"	975.050058	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"2M+2K"	77.926316
"594447"	1443.093508	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"3M+2K"	77.926316
"1082238"	507.006608	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2K"	77.926316
"1115605"	1015.020492	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2K+H"	78.933592
"1339801"	1015.108107	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+DMSO+H"	79.021207
"1010518"	1019.147276	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2ACN+H"	83.060376
"1527551"	1020.140908	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+IsoProp+Na+H"	84.054008
"995092"	510.077276	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+2ACN+2H"	84.067652
"1595064"	1021.055528	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+K+HCOOH"	84.968628
"1420722"	1051.087038	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+H+CF3COOH"	115.000138
"1160487"	530.590551	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+3ACN+2H"	125.094202
"1700922"	1068.113585	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+NH4+CF3COOH"	132.026685
"1641679"	1073.06898	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+Na+CF3COOH"	136.98208
"1579517"	1089.04292	"C10213"	"Casuarinin"	"C41H28O26"	"936.0869"	"M+K+CF3COOH"	152.95602
"813165"	954.0974	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M"	0
"977221"	935.07901	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-H2O-H"	-19.01839
"69471"	635.057657333333	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M-3H"	-3.021828
"507938"	953.090124	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M-3H"	-3.021828
"884648"	317.025190666667	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-3H"	-3.021828
"5409"	953.090124	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M-2H"	-2.014552
"446064"	1430.138824	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M-2H"	-2.014552
"824959"	476.041424	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-2H"	-2.014552
"93705"	1907.187524	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M-H"	-1.007276
"524515"	2861.284924	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M-H"	-1.007276
"900131"	953.090124	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-H"	-1.007276
"50134"	1924.214071	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M-2H+NH4"	16.019271
"495161"	2878.311471	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M-2H+NH4"	16.019271
"875152"	970.116671	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-2H+NH4"	16.019271
"45241"	1929.169466	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M-2H+Na"	20.974666
"482615"	2883.266866	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M-2H+Na"	20.974666
"856051"	975.072066	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-2H+Na"	20.974666
"1625582"	975.072066	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Na-2H"	20.974666
"98830"	971.078463	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M-H+Cl"	33.962126
"540578"	1448.127163	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M-H+Cl"	33.962126
"936279"	494.029763	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-H+Cl"	33.962126
"278115"	1943.164202	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+Cl"	34.969402
"672725"	2897.261602	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+Cl"	34.969402
"1284034"	989.066802	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Cl"	34.969402
"24404"	1945.143406	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M-2H+K"	36.948606
"465061"	2899.240806	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M-2H+K"	36.948606
"842868"	991.046006	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-2H+K"	36.948606
"1568542"	991.046006	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+K-2H"	36.948606
"952051"	999.095594	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-H+HCOOH"	44.998194
"372454"	1953.193001	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+HCOOH-H"	44.998201
"356340"	1967.208651	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+Hac-H"	59.013851
"1502983"	1013.111251	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Hac-H"	59.013851
"966151"	1021.077551	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-H+NaCOOH"	66.980151
"118335"	989.066802	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+2Cl"	69.938804
"558988"	1466.115502	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+2Cl"	69.938804
"1024143"	512.018102	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2Cl"	69.938804
"1243359"	1033.016285	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Br"	78.918885
"1306536"	1035.072272	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Cl+HCOOH"	80.974872
"1325125"	1057.054229	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Cl+NaCOOH"	102.956829
"913996"	1067.082986	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M-H+CF3COOH"	112.985586
"1297270"	1103.059664	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Cl+CF3COOH"	148.962264
"1373243"	919.084724	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H-2H2O"	-35.012676
"1391832"	937.0947	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H-H2O"	-17.0027
"288238"	1909.202076	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+H"	1.007276
"681753"	2863.299476	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+H"	1.007276
"1363570"	955.104676	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H"	1.007276
"136457"	955.104676	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+2H"	2.014552
"574924"	1432.153376	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+2H"	2.014552
"1048100"	478.055976	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2H"	2.014552
"214909"	637.072209333333	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+3H"	3.021828
"652279"	955.104676	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+3H"	3.021828
"1171500"	319.039742666667	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+3H"	3.021828
"430034"	1926.228623	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+NH4"	18.033823
"790300"	2880.326023	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+NH4"	18.033823
"1686266"	972.131223	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+NH4"	18.033823
"344272"	963.6179495	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+H+NH4"	19.041099
"734995"	1440.6666495	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+H+NH4"	19.041099
"1487727"	486.5692495	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H+NH4"	19.041099
"403125"	1931.184018	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+Na"	22.989218
"765212"	2885.281418	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+Na"	22.989218
"1613310"	977.086618	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Na"	22.989218
"323346"	966.095647	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+H+Na"	23.996494
"716859"	1443.144347	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+H+Na"	23.996494
"1467402"	489.046947	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H+Na"	23.996494
"1058463"	326.367056666667	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2H+Na"	25.00377
"1262329"	987.130886	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+CH3OH+H"	33.033486
"385277"	1947.157958	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+K"	38.963158
"747004"	2901.255358	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+K"	38.963158
"1551974"	993.060558	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+K"	38.963158
"311700"	974.082617	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+H+K"	39.970434
"704847"	1451.131317	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+H+K"	39.970434
"1459397"	497.033917	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H+K"	39.970434
"248362"	1950.228626	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+ACN+H"	42.033826
"1222165"	996.131226	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+ACN+H"	42.033826
"1207143"	498.569251	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+ACN+2H"	43.041102
"200379"	1953.16596	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+2Na-H"	44.97116
"641761"	2907.26336	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+2Na-H"	44.97116
"1143810"	999.06856	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2Na-H"	44.97116
"185644"	977.086618	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+2Na"	45.978436
"624472"	1454.135318	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+2Na"	45.978436
"1125788"	500.037918	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2Na"	45.978436
"1409678"	333.694370666667	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H+2Na"	46.985712
"1441067"	1001.110146	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H+HCOOH"	47.012746
"230760"	982.11964	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+3H2O+2H"	56.04448
"1514814"	1015.16219	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+IsoProp+H"	61.06479
"414503"	985.073588	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+Na+K"	61.952376
"777689"	1462.122288	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+Na+K"	61.952376
"1674018"	508.024888	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Na+K"	61.952376
"262726"	1972.210568	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+ACN+Na"	64.015768
"1238717"	1018.113168	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+ACN+Na"	64.015768
"1726521"	1018.136693	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+NH4+HCOOH"	64.039293
"1192724"	341.021684666667	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+3Na"	68.967654
"1661774"	1023.092088	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Na+HCOOH"	68.994688
"168637"	1985.11384	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+2K-H"	76.91904
"610380"	2939.21124	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+2K-H"	76.91904
"1095987"	1031.01644	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2K-H"	76.91904
"155604"	993.060558	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"2M+2K"	77.926316
"595772"	1470.109258	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"3M+2K"	77.926316
"1082838"	516.011858	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2K"	77.926316
"1115079"	1033.030992	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2K+H"	78.933592
"1336631"	1033.118607	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+DMSO+H"	79.021207
"1010628"	1037.157776	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2ACN+H"	83.060376
"1527660"	1038.151408	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+IsoProp+Na+H"	84.054008
"995202"	519.082526	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+2ACN+2H"	84.067652
"1591894"	1039.066028	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+K+HCOOH"	84.968628
"1420832"	1069.097538	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+H+CF3COOH"	115.000138
"1157680"	539.595801	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+3ACN+2H"	125.094202
"1699574"	1086.124085	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+NH4+CF3COOH"	132.026685
"1639602"	1091.07948	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+Na+CF3COOH"	136.98208
"1579627"	1107.05342	"C10214"	"Chebulagic acid"	"C41H30O27"	"954.0974"	"M+K+CF3COOH"	152.95602
"813275"	956.1131	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M"	0
"983527"	937.09471	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-H2O-H"	-19.01839
"69581"	636.401457333333	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M-3H"	-3.021828
"513515"	955.105824	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M-3H"	-3.021828
"891319"	317.697090666667	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-3H"	-3.021828
"5520"	955.105824	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M-2H"	-2.014552
"449455"	1433.162374	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M-2H"	-2.014552
"829444"	477.049274	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-2H"	-2.014552
"93978"	1911.218924	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M-H"	-1.007276
"531185"	2867.332024	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M-H"	-1.007276
"902428"	955.105824	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-H"	-1.007276
"50241"	1928.245471	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M-2H+NH4"	16.019271
"489073"	2884.358571	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M-2H+NH4"	16.019271
"869065"	972.132371	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-2H+NH4"	16.019271
"46529"	1933.200866	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M-2H+Na"	20.974666
"484552"	2889.313966	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M-2H+Na"	20.974666
"857254"	977.087766	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-2H+Na"	20.974666
"1627880"	977.087766	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Na-2H"	20.974666
"103314"	973.094163	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M-H+Cl"	33.962126
"543968"	1451.150713	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M-H+Cl"	33.962126
"939669"	495.037613	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-H+Cl"	33.962126
"281386"	1947.195602	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+Cl"	34.969402
"672836"	2903.308702	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+Cl"	34.969402
"1285239"	991.082502	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Cl"	34.969402
"26703"	1949.174806	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M-2H+K"	36.948606
"468087"	2905.287906	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M-2H+K"	36.948606
"846259"	993.061706	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-2H+K"	36.948606
"1567559"	993.061706	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+K-2H"	36.948606
"951068"	1001.111294	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-H+HCOOH"	44.998194
"374388"	1957.224401	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+HCOOH-H"	44.998201
"357179"	1971.240051	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+Hac-H"	59.013851
"1504189"	1015.126951	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Hac-H"	59.013851
"968449"	1023.093251	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-H+NaCOOH"	66.980151
"121726"	991.082502	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+2Cl"	69.938804
"562379"	1469.139052	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+2Cl"	69.938804
"1024983"	513.025952	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2Cl"	69.938804
"1245293"	1035.031985	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Br"	78.918885
"1307010"	1037.087972	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Cl+HCOOH"	80.974872
"1329608"	1059.069929	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Cl+NaCOOH"	102.956829
"916292"	1069.098686	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M-H+CF3COOH"	112.985586
"1295193"	1105.075364	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Cl+CF3COOH"	148.962264
"1372260"	921.100424	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H-2H2O"	-35.012676
"1391943"	939.1104	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H-H2O"	-17.0027
"294910"	1913.233476	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+H"	1.007276
"681863"	2869.346576	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+H"	1.007276
"1363680"	957.120376	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H"	1.007276
"136568"	957.120376	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+2H"	2.014552
"575035"	1435.176926	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+2H"	2.014552
"1044930"	479.063826	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2H"	2.014552
"212831"	638.416009333333	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+3H"	3.021828
"649110"	957.120376	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+3H"	3.021828
"1169421"	319.711642666667	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+3H"	3.021828
"428320"	1930.260023	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+NH4"	18.033823
"790409"	2886.373123	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+NH4"	18.033823
"1683461"	974.146923	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+NH4"	18.033823
"340491"	965.6336495	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+H+NH4"	19.041099
"735105"	1443.6901995	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+H+NH4"	19.041099
"1487839"	487.5770995	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H+NH4"	19.041099
"405423"	1935.215418	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+Na"	22.989218
"768238"	2891.328518	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+Na"	22.989218
"1616337"	979.102318	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Na"	22.989218
"326737"	968.111347	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+H+Na"	23.996494
"719155"	1446.167897	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+H+Na"	23.996494
"1470793"	490.054797	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H+Na"	23.996494
"1060760"	327.038956666667	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2H+Na"	25.00377
"1265719"	989.146586	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+CH3OH+H"	33.033486
"387210"	1951.189358	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+K"	38.963158
"750029"	2907.302458	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+K"	38.963158
"1551719"	995.076258	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+K"	38.963158
"309623"	976.098317	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+H+K"	39.970434
"704958"	1454.154867	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+H+K"	39.970434
"1459871"	498.041767	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H+K"	39.970434
"247743"	1954.260026	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+ACN+H"	42.033826
"1222639"	998.146926	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+ACN+H"	42.033826
"1207617"	499.577101	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+ACN+2H"	43.041102
"200122"	1957.19736	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+2Na-H"	44.97116
"640776"	2913.31046	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+2Na-H"	44.97116
"1145376"	1001.08426	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2Na-H"	44.97116
"186117"	979.102318	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+2Na"	45.978436
"624946"	1457.158868	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+2Na"	45.978436
"1124805"	501.045768	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2Na"	45.978436
"1410152"	334.366270666667	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H+2Na"	46.985712
"1442269"	1003.125846	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H+HCOOH"	47.012746
"230141"	984.13534	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+3H2O+2H"	56.04448
"1511645"	1017.17789	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+IsoProp+H"	61.06479
"414613"	987.089288	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+Na+K"	61.952376
"779985"	1465.145838	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+Na+K"	61.952376
"1671942"	509.032738	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Na+K"	61.952376
"261743"	1976.241968	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+ACN+Na"	64.015768
"1238827"	1020.128868	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+ACN+Na"	64.015768
"1726632"	1020.152393	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+NH4+HCOOH"	64.039293
"1192348"	341.693584666667	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+3Na"	68.967654
"1662603"	1025.107788	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Na+HCOOH"	68.994688
"168006"	1989.14524	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+2K-H"	76.91904
"611465"	2945.25834	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+2K-H"	76.91904
"1099016"	1033.03214	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2K-H"	76.91904
"156201"	995.076258	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"2M+2K"	77.926316
"596372"	1473.132808	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"3M+2K"	77.926316
"1083801"	517.019708	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2K"	77.926316
"1115063"	1035.046692	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2K+H"	78.933592
"1340021"	1035.134307	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+DMSO+H"	79.021207
"1008551"	1039.173476	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2ACN+H"	83.060376
"1525583"	1040.167108	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+IsoProp+Na+H"	84.054008
"1004061"	520.090376	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+2ACN+2H"	84.067652
"1600752"	1041.081728	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+K+HCOOH"	84.968628
"1420944"	1071.113238	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+H+CF3COOH"	115.000138
"1159978"	540.603651	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+3ACN+2H"	125.094202
"1701871"	1088.139785	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+NH4+CF3COOH"	132.026685
"1641899"	1093.09518	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+Na+CF3COOH"	136.98208
"1579737"	1109.06912	"C10215"	"Chebulinic acid"	"C41H32O27"	"956.1131"	"M+K+CF3COOH"	152.95602
"813385"	416.1107	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M"	0
"983637"	397.09231	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-H2O-H"	-19.01839
"66411"	276.399857333333	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M-3H"	-3.021828
"513625"	415.103424	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M-3H"	-3.021828
"888148"	137.696290666667	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-3H"	-3.021828
"8910"	415.103424	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M-2H"	-2.014552
"446285"	623.158774	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M-2H"	-2.014552
"831376"	207.048074	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-2H"	-2.014552
"93317"	831.214124	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M-H"	-1.007276
"526922"	1247.324824	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M-H"	-1.007276
"901445"	415.103424	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-H"	-1.007276
"50353"	848.240671	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+NH4"	16.019271
"494287"	1264.351371	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+NH4"	16.019271
"873181"	432.129971	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-2H+NH4"	16.019271
"45829"	853.196066	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+Na"	20.974666
"480646"	1269.306766	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+Na"	20.974666
"861371"	437.085366	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-2H+Na"	20.974666
"1629082"	437.085366	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Na-2H"	20.974666
"102329"	433.091763	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M-H+Cl"	33.962126
"547357"	641.147113	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M-H+Cl"	33.962126
"939778"	225.036413	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-H+Cl"	33.962126
"281615"	867.190802	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+Cl"	34.969402
"673678"	1283.301502	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+Cl"	34.969402
"1287659"	451.080102	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Cl"	34.969402
"30338"	869.170006	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+K"	36.948606
"468561"	1285.280706	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+K"	36.948606
"844181"	453.059306	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-2H+K"	36.948606
"1566576"	453.059306	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+K-2H"	36.948606
"952271"	461.108894	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-H+HCOOH"	44.998194
"375227"	877.219601	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+HCOOH-H"	44.998201
"356560"	891.235251	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+Hac-H"	59.013851
"1503206"	475.124551	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Hac-H"	59.013851
"968559"	483.090851	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-H+NaCOOH"	66.980151
"121836"	451.080102	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+2Cl"	69.938804
"561396"	659.135452	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+2Cl"	69.938804
"1033477"	243.024752	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2Cl"	69.938804
"1246496"	495.029585	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Br"	78.918885
"1308943"	497.085572	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+HCOOH"	80.974872
"1331905"	519.067529	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+NaCOOH"	102.956829
"916403"	529.096286	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M-H+CF3COOH"	112.985586
"1295304"	565.072964	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+CF3COOH"	148.962264
"1370184"	381.098024	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H-2H2O"	-35.012676
"1388774"	399.108	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H-H2O"	-17.0027
"290647"	833.228676	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+H"	1.007276
"683067"	1249.339376	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+H"	1.007276
"1362697"	417.117976	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H"	1.007276
"135585"	417.117976	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+2H"	2.014552
"572958"	625.173326	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+2H"	2.014552
"1046133"	209.062626	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2H"	2.014552
"212942"	278.414409333333	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+3H"	3.021828
"650313"	417.117976	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+3H"	3.021828
"1168438"	139.710842666667	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+3H"	3.021828
"427336"	850.255223	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+NH4"	18.033823
"790883"	1266.365923	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+NH4"	18.033823
"1685758"	434.144523	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+NH4"	18.033823
"337322"	425.6312495	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+H+NH4"	19.041099
"731935"	633.6865995	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+H+NH4"	19.041099
"1487948"	217.5758995	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H+NH4"	19.041099
"403347"	855.210618	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+Na"	22.989218
"765433"	1271.321318	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+Na"	22.989218
"1613532"	439.099918	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Na"	22.989218
"325390"	428.108947	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+H+Na"	23.996494
"714894"	636.164297	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+H+Na"	23.996494
"1466528"	220.053597	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H+Na"	23.996494
"1058682"	147.038156666667	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2H+Na"	25.00377
"1264736"	449.144186	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+CH3OH+H"	33.033486
"383311"	871.184558	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+K"	38.963158
"749775"	1287.295258	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+K"	38.963158
"1548546"	455.073858	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+K"	38.963158
"310827"	436.095917	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+H+K"	39.970434
"704340"	644.151267	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+H+K"	39.970434
"1459616"	228.040567	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H+K"	39.970434
"243845"	874.255226	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+ACN+H"	42.033826
"1220925"	458.144526	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+H"	42.033826
"1204809"	229.575901	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+2H"	43.041102
"199866"	877.19256	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+2Na-H"	44.97116
"639428"	1293.30326	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+2Na-H"	44.97116
"1140746"	461.08186	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2Na-H"	44.97116
"179664"	439.099918	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+2Na"	45.978436
"623597"	647.155268	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+2Na"	45.978436
"1122729"	231.044568	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2Na"	45.978436
"1404066"	154.365470666667	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H+2Na"	46.985712
"1432902"	463.123446	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H+HCOOH"	47.012746
"223690"	444.13294	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+3H2O+2H"	56.04448
"1513940"	477.17549	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+IsoProp+H"	61.06479
"416910"	447.086888	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+Na+K"	61.952376
"777909"	655.142238	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+Na+K"	61.952376
"1672052"	239.031538	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Na+K"	61.952376
"260760"	896.237168	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+ACN+Na"	64.015768
"1237844"	480.126468	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+Na"	64.015768
"1727106"	480.149993	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+NH4+HCOOH"	64.039293
"1192092"	161.692784666667	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+3Na"	68.967654
"1663443"	485.105388	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Na+HCOOH"	68.994688
"166294"	909.14044	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+2K-H"	76.91904
"611574"	1325.25114	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+2K-H"	76.91904
"1099008"	493.02974	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2K-H"	76.91904
"156069"	455.073858	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"2M+2K"	77.926316
"596978"	663.129208	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"3M+2K"	77.926316
"1083912"	247.018508	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2K"	77.926316
"1115570"	495.044292	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2K+H"	78.933592
"1340131"	495.131907	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+DMSO+H"	79.021207
"1011941"	499.171076	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2ACN+H"	83.060376
"1531160"	500.164708	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+IsoProp+Na+H"	84.054008
"1005026"	250.089176	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+2ACN+2H"	84.067652
"1599767"	501.079328	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+K+HCOOH"	84.968628
"1423241"	531.110838	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+H+CF3COOH"	115.000138
"1158994"	270.602451	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+3ACN+2H"	125.094202
"1703076"	548.137385	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+NH4+CF3COOH"	132.026685
"1642009"	553.09278	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+Na+CF3COOH"	136.98208
"1579847"	569.06672	"C10216"	"Daidzin;Daidzein 7-O-glucoside"	"C21H20O9"	"416.1107"	"M+K+CF3COOH"	152.95602
"816411"	452.1107	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M"	0
"987029"	433.09231	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-H2O-H"	-19.01839
"73083"	300.399857333333	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M-3H"	-3.021828
"517017"	451.103424	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M-3H"	-3.021828
"891539"	149.696290666667	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-3H"	-3.021828
"10114"	451.103424	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M-2H"	-2.014552
"455307"	677.158774	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M-2H"	-2.014552
"832624"	225.048074	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-2H"	-2.014552
"91847"	903.214124	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M-H"	-1.007276
"527035"	1355.324824	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M-H"	-1.007276
"901920"	451.103424	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-H"	-1.007276
"57022"	920.240671	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M-2H+NH4"	16.019271
"494396"	1372.351371	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M-2H+NH4"	16.019271
"866732"	468.129971	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-2H+NH4"	16.019271
"43383"	925.196066	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M-2H+Na"	20.974666
"486470"	1377.306766	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M-2H+Na"	20.974666
"862937"	473.085366	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-2H+Na"	20.974666
"1629193"	473.085366	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Na-2H"	20.974666
"103535"	469.091763	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M-H+Cl"	33.962126
"545279"	695.147113	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M-H+Cl"	33.962126
"940982"	243.036413	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-H+Cl"	33.962126
"280634"	939.190802	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+Cl"	34.969402
"672694"	1391.301502	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+Cl"	34.969402
"1287406"	487.080102	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Cl"	34.969402
"29110"	941.170006	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M-2H+K"	36.948606
"471027"	1393.280706	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M-2H+K"	36.948606
"846115"	489.059306	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-2H+K"	36.948606
"1567782"	489.059306	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+K-2H"	36.948606
"954568"	497.108894	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-H+HCOOH"	44.998194
"371691"	949.219601	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+HCOOH-H"	44.998201
"357762"	963.235251	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+Hac-H"	59.013851
"1505501"	511.124551	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Hac-H"	59.013851
"967576"	519.090851	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-H+NaCOOH"	66.980151
"124134"	487.080102	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+2Cl"	69.938804
"562601"	713.135452	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+2Cl"	69.938804
"1033587"	261.024752	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2Cl"	69.938804
"1250979"	531.029585	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Br"	78.918885
"1312333"	533.085572	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Cl+HCOOH"	80.974872
"1326551"	555.067529	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Cl+NaCOOH"	102.956829
"921984"	565.096286	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M-H+CF3COOH"	112.985586
"1300159"	601.072964	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Cl+CF3COOH"	148.962264
"1381231"	417.098024	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H-2H2O"	-35.012676
"1398329"	435.108	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H-H2O"	-17.0027
"295132"	905.228676	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+H"	1.007276
"690471"	1357.339376	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+H"	1.007276
"1363902"	453.117976	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H"	1.007276
"136789"	453.117976	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+2H"	2.014552
"576351"	679.173326	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+2H"	2.014552
"1045151"	227.062626	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2H"	2.014552
"216330"	302.414409333333	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+3H"	3.021828
"659054"	453.117976	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+3H"	3.021828
"1171831"	151.710842666667	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+3H"	3.021828
"432916"	922.255223	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+NH4"	18.033823
"793911"	1374.365923	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+NH4"	18.033823
"1686961"	470.144523	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+NH4"	18.033823
"335238"	461.6312495	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+H+NH4"	19.041099
"729848"	687.6865995	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+H+NH4"	19.041099
"1489143"	235.5758995	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H+NH4"	19.041099
"406739"	927.210618	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+Na"	22.989218
"768829"	1379.321318	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+Na"	22.989218
"1613643"	475.099918	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Na"	22.989218
"324770"	464.108947	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+H+Na"	23.996494
"718285"	690.164297	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+H+Na"	23.996494
"1474291"	238.053597	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H+Na"	23.996494
"1062074"	159.038156666667	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2H+Na"	25.00377
"1267399"	485.144186	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+CH3OH+H"	33.033486
"385610"	943.184558	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+K"	38.963158
"752680"	1395.295258	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+K"	38.963158
"1554938"	491.073858	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+K"	38.963158
"313737"	472.095917	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+H+K"	39.970434
"705909"	698.151267	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+H+K"	39.970434
"1459000"	246.040567	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H+K"	39.970434
"250034"	946.255226	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+ACN+H"	42.033826
"1221768"	494.144526	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+ACN+H"	42.033826
"1209790"	247.575901	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+ACN+2H"	43.041102
"202898"	949.19256	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+2Na-H"	44.97116
"642094"	1401.30326	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+2Na-H"	44.97116
"1143410"	497.08186	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2Na-H"	44.97116
"181962"	475.099918	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+2Na"	45.978436
"618243"	701.155268	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+2Na"	45.978436
"1120652"	249.044568	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2Na"	45.978436
"1404176"	166.365470666667	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H+2Na"	46.985712
"1433013"	499.123446	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H+HCOOH"	47.012746
"224893"	480.13294	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+3H2O+2H"	56.04448
"1514050"	513.17549	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+IsoProp+H"	61.06479
"418115"	483.086888	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+Na+K"	61.952376
"773643"	709.142238	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+Na+K"	61.952376
"1672162"	257.031538	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Na+K"	61.952376
"264149"	968.237168	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+ACN+Na"	64.015768
"1235766"	516.126468	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+ACN+Na"	64.015768
"1727214"	516.149993	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+NH4+HCOOH"	64.039293
"1192931"	173.692784666667	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+3Na"	68.967654
"1662093"	521.105388	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Na+HCOOH"	68.994688
"167498"	981.14044	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+2K-H"	76.91904
"612616"	1433.25114	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+2K-H"	76.91904
"1099686"	529.02974	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2K-H"	76.91904
"156670"	491.073858	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"2M+2K"	77.926316
"596919"	717.129208	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"3M+2K"	77.926316
"1084067"	265.018508	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2K"	77.926316
"1115561"	531.044292	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2K+H"	78.933592
"1344617"	531.131907	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+DMSO+H"	79.021207
"1013144"	535.171076	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2ACN+H"	83.060376
"1534550"	536.164708	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+IsoProp+Na+H"	84.054008
"1003189"	268.089176	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+2ACN+2H"	84.067652
"1600971"	537.079328	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+K+HCOOH"	84.968628
"1424444"	567.110838	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+H+CF3COOH"	115.000138
"1154731"	288.602451	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+3ACN+2H"	125.094202
"1704279"	584.137385	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+NH4+CF3COOH"	132.026685
"1638837"	589.09278	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+Na+CF3COOH"	136.98208
"1579957"	605.06672	"C10217"	"Cinchonain 1a"	"C24H20O9"	"452.1107"	"M+K+CF3COOH"	152.95602
"801614"	1874.1894	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M"	0
"984952"	1855.17101	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-H2O-H"	-19.01839
"73194"	1248.452324	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M-3H"	-3.021828
"516768"	1873.182124	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M-3H"	-3.021828
"888369"	623.722524	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-3H"	-3.021828
"11683"	1873.182124	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M-2H"	-2.014552
"448693"	2810.276824	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M-2H"	-2.014552
"826496"	936.087424	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-2H"	-2.014552
"91957"	3747.371524	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M-H"	-1.007276
"531517"	5621.560924	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M-H"	-1.007276
"904946"	1873.182124	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-H"	-1.007276
"56039"	3764.398071	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M-2H+NH4"	16.019271
"492320"	5638.587471	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M-2H+NH4"	16.019271
"869029"	1890.208671	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-2H+NH4"	16.019271
"42400"	3769.353466	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M-2H+Na"	20.974666
"481964"	5643.542866	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M-2H+Na"	20.974666
"860856"	1895.164066	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-2H+Na"	20.974666
"1628210"	1895.164066	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Na-2H"	20.974666
"101458"	1891.170463	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M-H+Cl"	33.962126
"544296"	2828.265163	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M-H+Cl"	33.962126
"939999"	954.075763	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-H+Cl"	33.962126
"282527"	3783.348202	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+Cl"	34.969402
"673169"	5657.537602	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+Cl"	34.969402
"1286663"	1909.158802	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Cl"	34.969402
"29219"	3785.327406	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M-2H+K"	36.948606
"465505"	5659.516806	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M-2H+K"	36.948606
"843309"	1911.138006	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-2H+K"	36.948606
"1564609"	1911.138006	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+K-2H"	36.948606
"951398"	1919.187594	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-H+HCOOH"	44.998194
"368521"	3793.377001	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+HCOOH-H"	44.998201
"352405"	3807.392651	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+Hac-H"	59.013851
"1502330"	1933.203251	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Hac-H"	59.013851
"965498"	1941.169551	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-H+NaCOOH"	66.980151
"122056"	1909.158802	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+2Cl"	69.938804
"556148"	2846.253502	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+2Cl"	69.938804
"1027135"	972.064102	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2Cl"	69.938804
"1246715"	1953.108285	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Br"	78.918885
"1305882"	1955.164272	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Cl+HCOOH"	80.974872
"1326660"	1977.146229	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Cl+NaCOOH"	102.956829
"914439"	1987.174986	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M-H+CF3COOH"	112.985586
"1302452"	2023.151664	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Cl+CF3COOH"	148.962264
"1381340"	1839.176724	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H-2H2O"	-35.012676
"1394462"	1857.1867	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H-H2O"	-17.0027
"297794"	3749.386076	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+H"	1.007276
"688759"	5623.575476	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+H"	1.007276
"1363648"	1875.196676	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H"	1.007276
"132526"	1875.196676	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+2H"	2.014552
"574273"	2812.291376	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+2H"	2.014552
"1043074"	938.101976	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2H"	2.014552
"215347"	1250.466876	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+3H"	3.021828
"656732"	1875.196676	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+3H"	3.021828
"1171940"	625.737076	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+3H"	3.021828
"431932"	3766.412623	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+NH4"	18.033823
"792928"	5640.602023	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+NH4"	18.033823
"1684885"	1892.223223	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+NH4"	18.033823
"333162"	1883.7099495	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+H+NH4"	19.041099
"728865"	2820.8046495	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+H+NH4"	19.041099
"1490346"	946.6152495	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H+NH4"	19.041099
"405391"	3771.368018	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+Na"	22.989218
"767845"	5645.557418	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+Na"	22.989218
"1615578"	1897.178618	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Na"	22.989218
"323786"	1886.187647	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+H+Na"	23.996494
"718394"	2823.282347	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+H+Na"	23.996494
"1471121"	949.092947	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H+Na"	23.996494
"1058902"	633.06439	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2H+Na"	25.00377
"1263862"	1907.222886	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+CH3OH+H"	33.033486
"379522"	3787.341958	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+K"	38.963158
"746714"	5661.531358	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+K"	38.963158
"1552047"	1913.152558	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+K"	38.963158
"311046"	1894.174617	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+H+K"	39.970434
"706018"	2831.269317	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+H+K"	39.970434
"1458015"	957.079917	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H+K"	39.970434
"247712"	3790.412626	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+ACN+H"	42.033826
"1218962"	1916.223226	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+ACN+H"	42.033826
"1204670"	958.615251	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+ACN+2H"	43.041102
"201185"	3793.34996	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+2Na-H"	44.97116
"638555"	5667.53936	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+2Na-H"	44.97116
"1140968"	1919.16056	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2Na-H"	44.97116
"179885"	1897.178618	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+2Na"	45.978436
"618352"	2834.273318	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+2Na"	45.978436
"1119668"	960.083918	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2Na"	45.978436
"1399914"	640.391704	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H+2Na"	46.985712
"1432030"	1921.202146	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H+HCOOH"	47.012746
"221723"	1902.21164	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+3H2O+2H"	56.04448
"1513067"	1935.25419	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+IsoProp+H"	61.06479
"413851"	1905.165588	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+Na+K"	61.952376
"772660"	2842.260288	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+Na+K"	61.952376
"1671179"	968.070888	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Na+K"	61.952376
"264259"	3812.394568	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+ACN+Na"	64.015768
"1235874"	1938.205168	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+ACN+Na"	64.015768
"1726595"	1938.228693	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+NH4+HCOOH"	64.039293
"1189759"	647.719018	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+3Na"	68.967654
"1661472"	1943.184088	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Na+HCOOH"	68.994688
"166879"	3825.29784	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+2K-H"	76.91904
"610453"	5699.48724	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+2K-H"	76.91904
"1099882"	1951.10844	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2K-H"	76.91904
"156967"	1913.152558	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"2M+2K"	77.926316
"595843"	2850.247258	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"3M+2K"	77.926316
"1083896"	976.057858	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2K"	77.926316
"1115565"	1953.122992	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2K+H"	78.933592
"1350982"	1953.210607	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+DMSO+H"	79.021207
"1012161"	1957.249776	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2ACN+H"	83.060376
"1533568"	1958.243408	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+IsoProp+Na+H"	84.054008
"1004270"	979.128526	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+2ACN+2H"	84.067652
"1602052"	1959.158028	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+K+HCOOH"	84.968628
"1425646"	1989.189538	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+H+CF3COOH"	115.000138
"1159214"	999.641801	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+3ACN+2H"	125.094202
"1703296"	2006.216085	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+NH4+CF3COOH"	132.026685
"1638947"	2011.17148	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+Na+CF3COOH"	136.98208
"1580067"	2027.14542	"C10218"	"Coriariin A"	"C82H58O52"	"1874.1894"	"M+K+CF3COOH"	152.95602
"801805"	634.0806	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M"	0
"982875"	615.06221	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-H2O-H"	-19.01839
"73304"	421.713124	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M-3H"	-3.021828
"517968"	633.073324	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M-3H"	-3.021828
"888479"	210.352924	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-3H"	-3.021828
"12521"	633.073324	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M-2H"	-2.014552
"449896"	950.113624	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M-2H"	-2.014552
"827698"	316.033024	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-2H"	-2.014552
"92554"	1267.153924	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M-H"	-1.007276
"533088"	1901.234524	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M-H"	-1.007276
"908215"	633.073324	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-H"	-1.007276
"59429"	1284.180471	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M-2H+NH4"	16.019271
"497896"	1918.261071	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M-2H+NH4"	16.019271
"867680"	650.099871	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-2H+NH4"	16.019271
"41417"	1289.135866	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M-2H+Na"	20.974666
"482073"	1923.216466	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M-2H+Na"	20.974666
"858780"	655.055266	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-2H+Na"	20.974666
"1629413"	655.055266	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Na-2H"	20.974666
"99380"	651.061663	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M-H+Cl"	33.962126
"540032"	968.101963	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M-H+Cl"	33.962126
"937921"	334.021363	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-H+Cl"	33.962126
"277573"	1303.130602	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+Cl"	34.969402
"672185"	1937.211202	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+Cl"	34.969402
"1285679"	669.050002	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Cl"	34.969402
"26049"	1305.109806	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M-2H+K"	36.948606
"467438"	1939.190406	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M-2H+K"	36.948606
"843419"	671.029206	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-2H+K"	36.948606
"1564719"	671.029206	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+K-2H"	36.948606
"954788"	679.078794	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-H+HCOOH"	44.998194
"370817"	1313.159401	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+HCOOH-H"	44.998201
"353607"	1327.175051	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+Hac-H"	59.013851
"1501346"	693.094451	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Hac-H"	59.013851
"966701"	701.060751	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-H+NaCOOH"	66.980151
"117797"	669.050002	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+2Cl"	69.938804
"554071"	986.090302	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+2Cl"	69.938804
"1027245"	352.009702	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2Cl"	69.938804
"1246825"	712.999485	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Br"	78.918885
"1305991"	715.055472	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Cl+HCOOH"	80.974872
"1326770"	737.037429	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Cl+NaCOOH"	102.956829
"917829"	747.066186	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M-H+CF3COOH"	112.985586
"1301832"	783.042864	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Cl+CF3COOH"	148.962264
"1378170"	599.067924	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H-2H2O"	-35.012676
"1391292"	617.0779	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H-H2O"	-17.0027
"295352"	1269.168476	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+H"	1.007276
"686683"	1903.249076	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+H"	1.007276
"1364122"	635.087876	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H"	1.007276
"133729"	635.087876	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+2H"	2.014552
"574383"	952.128176	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+2H"	2.014552
"1046464"	318.047576	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2H"	2.014552
"216550"	423.727676	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+3H"	3.021828
"656112"	635.087876	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+3H"	3.021828
"1172050"	212.367476	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+3H"	3.021828
"428760"	1286.195023	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+NH4"	18.033823
"791943"	1920.275623	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+NH4"	18.033823
"1688273"	652.114423	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+NH4"	18.033823
"331810"	643.6011495	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+H+NH4"	19.041099
"728975"	960.6414495	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+H+NH4"	19.041099
"1487174"	326.5608495	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H+NH4"	19.041099
"404771"	1291.150418	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+Na"	22.989218
"767589"	1925.231018	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+Na"	22.989218
"1614593"	657.069818	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Na"	22.989218
"323897"	646.078847	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+H+Na"	23.996494
"719598"	963.119147	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+H+Na"	23.996494
"1469044"	329.038547	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H+Na"	23.996494
"1063386"	219.69479	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2H+Na"	25.00377
"1265066"	667.114086	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+CH3OH+H"	33.033486
"380727"	1307.124358	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+K"	38.963158
"749740"	1941.204958	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+K"	38.963158
"1552523"	673.043758	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+K"	38.963158
"312250"	654.065817	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+H+K"	39.970434
"706738"	971.106117	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+H+K"	39.970434
"1458125"	337.025517	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H+K"	39.970434
"248915"	1310.195026	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+ACN+H"	42.033826
"1221987"	676.114426	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+ACN+H"	42.033826
"1205509"	338.560851	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+ACN+2H"	43.041102
"203119"	1313.13236	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+2Na-H"	44.97116
"637572"	1947.21296	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+2Na-H"	44.97116
"1142171"	679.05176	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2Na-H"	44.97116
"179995"	657.069818	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+2Na"	45.978436
"615181"	974.110118	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+2Na"	45.978436
"1118685"	340.029518	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2Na"	45.978436
"1401117"	227.022104	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H+2Na"	46.985712
"1433233"	681.093346	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H+HCOOH"	47.012746
"222197"	662.10284	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+3H2O+2H"	56.04448
"1513177"	695.14539	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+IsoProp+H"	61.06479
"415053"	665.056788	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+Na+K"	61.952376
"772770"	982.097088	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+Na+K"	61.952376
"1671289"	348.016488	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Na+K"	61.952376
"263641"	1332.176968	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+ACN+Na"	64.015768
"1232704"	698.096368	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+ACN+Na"	64.015768
"1724884"	698.119893	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+NH4+HCOOH"	64.039293
"1189505"	234.349418	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+3Na"	68.967654
"1661948"	703.075288	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Na+HCOOH"	68.994688
"167719"	1345.08024	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+2K-H"	76.91904
"609469"	1979.16084	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+2K-H"	76.91904
"1096537"	710.99964	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2K-H"	76.91904
"157084"	673.043758	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"2M+2K"	77.926316
"595953"	990.084058	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"3M+2K"	77.926316
"1084152"	356.003458	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2K"	77.926316
"1115581"	713.014192	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2K+H"	78.933592
"1351197"	713.101807	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+DMSO+H"	79.021207
"1013364"	717.140976	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2ACN+H"	83.060376
"1533678"	718.134608	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+IsoProp+Na+H"	84.054008
"1004380"	359.074126	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+2ACN+2H"	84.067652
"1602162"	719.049228	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+K+HCOOH"	84.968628
"1426849"	749.080738	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+H+CF3COOH"	115.000138
"1156044"	379.587401	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+3ACN+2H"	125.094202
"1703406"	766.107285	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+NH4+CF3COOH"	132.026685
"1637964"	771.06268	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+Na+CF3COOH"	136.98208
"1580177"	787.03662	"C10219"	"Corilagin"	"C27H22O18"	"634.0806"	"M+K+CF3COOH"	152.95602
"810543"	800.1072	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M"	0
"984078"	781.08881	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-H2O-H"	-19.01839
"77303"	532.397524	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M-3H"	-3.021828
"518082"	799.099924	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M-3H"	-3.021828
"894665"	265.695124	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-3H"	-3.021828
"8259"	799.099924	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M-2H"	-2.014552
"452921"	1199.153524	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M-2H"	-2.014552
"831088"	399.046324	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-2H"	-2.014552
"92785"	1599.207124	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M-H"	-1.007276
"532834"	2399.314324	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M-H"	-1.007276
"905167"	799.099924	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-H"	-1.007276
"60512"	1616.233671	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M-2H+NH4"	16.019271
"498008"	2416.340871	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M-2H+NH4"	16.019271
"876783"	816.126471	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-2H+NH4"	16.019271
"33380"	1621.189066	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M-2H+Na"	20.974666
"475617"	2421.296266	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M-2H+Na"	20.974666
"852326"	821.081866	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-2H+Na"	20.974666
"1633412"	821.081866	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Na-2H"	20.974666
"99490"	817.088263	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M-H+Cl"	33.962126
"542329"	1217.141863	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M-H+Cl"	33.962126
"937667"	417.034663	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-H+Cl"	33.962126
"277683"	1635.183802	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+Cl"	34.969402
"673144"	2435.291002	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+Cl"	34.969402
"1284696"	835.076602	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Cl"	34.969402
"26159"	1637.163006	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M-2H+K"	36.948606
"466819"	2437.270206	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M-2H+K"	36.948606
"841343"	837.055806	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-2H+K"	36.948606
"1565924"	837.055806	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+K-2H"	36.948606
"952712"	845.105394	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-H+HCOOH"	44.998194
"364730"	1645.212601	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+HCOOH-H"	44.998201
"349342"	1659.228251	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+Hac-H"	59.013851
"1497083"	859.121051	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Hac-H"	59.013851
"962438"	867.087351	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-H+NaCOOH"	66.980151
"115720"	835.076602	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+2Cl"	69.938804
"556367"	1235.130202	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+2Cl"	69.938804
"1027355"	435.023002	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2Cl"	69.938804
"1244748"	879.026085	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Br"	78.918885
"1309382"	881.082072	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Cl+HCOOH"	80.974872
"1325787"	903.064029	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Cl+NaCOOH"	102.956829
"914659"	913.092786	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M-H+CF3COOH"	112.985586
"1298299"	949.069464	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Cl+CF3COOH"	148.962264
"1378280"	765.094524	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H-2H2O"	-35.012676
"1393588"	783.1045	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H-H2O"	-17.0027
"287808"	1601.221676	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+H"	1.007276
"687519"	2401.328876	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+H"	1.007276
"1362046"	801.114476	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H"	1.007276
"131652"	801.114476	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+2H"	2.014552
"569389"	1201.168076	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+2H"	2.014552
"1045480"	401.060876	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2H"	2.014552
"213381"	534.412076	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+3H"	3.021828
"655129"	801.114476	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+3H"	3.021828
"1169974"	267.709676	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+3H"	3.021828
"429966"	1618.248223	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+NH4"	18.033823
"790961"	2418.355423	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+NH4"	18.033823
"1687290"	818.141023	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+NH4"	18.033823
"331799"	809.6277495	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+H+NH4"	19.041099
"729085"	1209.6813495	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+H+NH4"	19.041099
"1486191"	409.5741495	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H+NH4"	19.041099
"406340"	1623.203618	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+Na"	22.989218
"767700"	2423.310818	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+Na"	22.989218
"1615433"	823.096418	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Na"	22.989218
"325100"	812.105447	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+H+Na"	23.996494
"718252"	1212.159047	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+H+Na"	23.996494
"1471340"	412.051847	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H+Na"	23.996494
"1063133"	275.03699	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2H+Na"	25.00377
"1265907"	833.140686	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+CH3OH+H"	33.033486
"382660"	1639.177558	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+K"	38.963158
"751310"	2439.284758	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+K"	38.963158
"1553242"	839.070358	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+K"	38.963158
"311267"	820.092417	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+H+K"	39.970434
"704417"	1220.146017	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+H+K"	39.970434
"1458237"	420.038817	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H+K"	39.970434
"245017"	1642.248226	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+ACN+H"	42.033826
"1219913"	842.141026	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+ACN+H"	42.033826
"1206712"	421.574151	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+ACN+2H"	43.041102
"202620"	1645.18556	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+2Na-H"	44.97116
"637682"	2445.29276	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+2Na-H"	44.97116
"1141188"	845.07836	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2Na-H"	44.97116
"180105"	823.096418	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+2Na"	45.978436
"617112"	1223.150018	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+2Na"	45.978436
"1120616"	423.042818	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2Na"	45.978436
"1401954"	282.364304	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H+2Na"	46.985712
"1433343"	847.119946	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H+HCOOH"	47.012746
"223400"	828.12944	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+3H2O+2H"	56.04448
"1513287"	861.17199	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+IsoProp+H"	61.06479
"415162"	831.083388	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+Na+K"	61.952376
"773244"	1231.136988	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+Na+K"	61.952376
"1671399"	431.029788	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Na+K"	61.952376
"255731"	1664.230168	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+ACN+Na"	64.015768
"1232813"	864.122968	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+ACN+Na"	64.015768
"1726087"	864.146493	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+NH4+HCOOH"	64.039293
"1191076"	289.691618	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+3Na"	68.967654
"1661331"	869.101888	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Na+HCOOH"	68.994688
"167464"	1677.13344	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+2K-H"	76.91904
"607757"	2477.24064	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+2K-H"	76.91904
"1096279"	877.02624	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2K-H"	76.91904
"156874"	839.070358	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"2M+2K"	77.926316
"596063"	1239.123958	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"3M+2K"	77.926316
"1083908"	439.016758	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2K"	77.926316
"1115004"	879.040792	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2K+H"	78.933592
"1351263"	879.128407	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+DMSO+H"	79.021207
"1011288"	883.167576	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2ACN+H"	83.060376
"1533789"	884.161208	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+IsoProp+Na+H"	84.054008
"1003517"	442.087426	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+2ACN+2H"	84.067652
"1602355"	885.075828	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+K+HCOOH"	84.968628
"1426959"	915.107338	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+H+CF3COOH"	115.000138
"1161621"	462.600701	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+3ACN+2H"	125.094202
"1705702"	932.133885	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+NH4+CF3COOH"	132.026685
"1640262"	937.08928	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+Na+CF3COOH"	136.98208
"1580287"	953.06322	"C10220"	"35-Di-O-galloyl-4-O-digalloylquinic acid"	"C35H28O22"	"800.1072"	"M+K+CF3COOH"	152.95602
"815029"	578.1424	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M"	0
"986377"	559.12401	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-H2O-H"	-19.01839
"74620"	384.420990666667	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M-3H"	-3.021828
"518389"	577.135124	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M-3H"	-3.021828
"895029"	191.706857333333	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-3H"	-3.021828
"15384"	577.135124	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H"	-2.014552
"455186"	866.206324	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H"	-2.014552
"832626"	288.063924	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-2H"	-2.014552
"93832"	1155.277524	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M-H"	-1.007276
"530758"	1733.419924	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M-H"	-1.007276
"903092"	577.135124	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-H"	-1.007276
"50906"	1172.304071	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H+NH4"	16.019271
"492288"	1750.446471	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H+NH4"	16.019271
"872645"	594.161671	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-2H+NH4"	16.019271
"43827"	1177.259466	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H+Na"	20.974666
"482294"	1755.401866	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H+Na"	20.974666
"862771"	599.117066	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-2H+Na"	20.974666
"1632673"	599.117066	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Na-2H"	20.974666
"107256"	595.123463	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M-H+Cl"	33.962126
"542444"	884.194663	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M-H+Cl"	33.962126
"939237"	306.052263	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-H+Cl"	33.962126
"278892"	1191.254202	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+Cl"	34.969402
"671313"	1769.396602	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+Cl"	34.969402
"1283717"	613.111802	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl"	34.969402
"27007"	1193.233406	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H+K"	36.948606
"469120"	1771.375806	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H+K"	36.948606
"844735"	615.091006	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-2H+K"	36.948606
"1564941"	615.091006	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+K-2H"	36.948606
"951732"	623.140594	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-H+HCOOH"	44.998194
"368129"	1201.283001	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+HCOOH-H"	44.998201
"352739"	1215.298651	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+Hac-H"	59.013851
"1501571"	637.156251	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Hac-H"	59.013851
"969113"	645.122551	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-H+NaCOOH"	66.980151
"123486"	613.111802	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+2Cl"	69.938804
"559766"	902.183002	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+2Cl"	69.938804
"1029659"	324.040602	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2Cl"	69.938804
"1244134"	657.061285	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Br"	78.918885
"1308405"	659.117272	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl+HCOOH"	80.974872
"1324808"	681.099229	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl+NaCOOH"	102.956829
"915865"	691.127986	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M-H+CF3COOH"	112.985586
"1295863"	727.104664	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl+CF3COOH"	148.962264
"1369284"	543.129724	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H-2H2O"	-35.012676
"1384594"	561.1397	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H-H2O"	-17.0027
"291205"	1157.292076	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+H"	1.007276
"683626"	1735.434476	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+H"	1.007276
"1363254"	579.149676	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H"	1.007276
"135051"	579.149676	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+2H"	2.014552
"574611"	868.220876	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+2H"	2.014552
"1045596"	290.078476	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2H"	2.014552
"211310"	386.435542666667	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+3H"	3.021828
"653056"	579.149676	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+3H"	3.021828
"1174463"	193.721409333333	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+3H"	3.021828
"435548"	1174.318623	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+NH4"	18.033823
"792170"	1752.461023	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+NH4"	18.033823
"1688504"	596.176223	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+NH4"	18.033823
"341155"	587.6629495	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+H+NH4"	19.041099
"731389"	876.7341495	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+H+NH4"	19.041099
"1484116"	298.5917495	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H+NH4"	19.041099
"402799"	1179.274018	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+Na"	22.989218
"767443"	1757.416418	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+Na"	22.989218
"1614082"	601.131618	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Na"	22.989218
"325212"	590.140647	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+H+Na"	23.996494
"717633"	879.211847	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+H+Na"	23.996494
"1465989"	301.069447	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H+Na"	23.996494
"1061420"	201.048723333333	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2H+Na"	25.00377
"1261277"	611.175886	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+CH3OH+H"	33.033486
"383864"	1195.247958	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+K"	38.963158
"747045"	1773.390358	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+K"	38.963158
"1552745"	617.105558	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+K"	38.963158
"311744"	598.127617	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+H+K"	39.970434
"705987"	887.198817	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+H+K"	39.970434
"1461301"	309.056417	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H+K"	39.970434
"249503"	1198.318626	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+ACN+H"	42.033826
"1225129"	620.176226	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+ACN+H"	42.033826
"1208284"	310.591751	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+ACN+2H"	43.041102
"203827"	1201.25596	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+2Na-H"	44.97116
"641805"	1779.39836	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+2Na-H"	44.97116
"1144216"	623.11356	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2Na-H"	44.97116
"180217"	601.131618	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+2Na"	45.978436
"620873"	890.202818	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+2Na"	45.978436
"1124378"	312.060418	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2Na"	45.978436
"1413254"	208.376037333333	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H+2Na"	46.985712
"1441111"	625.155146	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H+HCOOH"	47.012746
"232637"	606.16464	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+3H2O+2H"	56.04448
"1521061"	639.20719	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+IsoProp+H"	61.06479
"421845"	609.118588	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+Na+K"	61.952376
"780293"	898.189788	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+Na+K"	61.952376
"1677714"	320.047388	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Na+K"	61.952376
"263878"	1220.300568	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+ACN+Na"	64.015768
"1238772"	642.158168	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+ACN+Na"	64.015768
"1724740"	642.181693	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+NH4+HCOOH"	64.039293
"1191196"	215.703351333333	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+3Na"	68.967654
"1663637"	647.137088	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Na+HCOOH"	68.994688
"170499"	1233.20384	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+2K-H"	76.91904
"610056"	1811.34624	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+2K-H"	76.91904
"1098334"	655.06144	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2K-H"	76.91904
"151385"	617.105558	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"2M+2K"	77.926316
"596173"	906.176758	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"3M+2K"	77.926316
"1084098"	328.034358	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2K"	77.926316
"1114626"	657.075992	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2K+H"	78.933592
"1350772"	657.163607	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+DMSO+H"	79.021207
"1011398"	661.202776	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2ACN+H"	83.060376
"1533898"	662.196408	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+IsoProp+Na+H"	84.054008
"1003627"	331.105026	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+2ACN+2H"	84.067652
"1602386"	663.111028	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+K+HCOOH"	84.968628
"1425611"	693.142538	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+H+CF3COOH"	115.000138
"1161367"	351.618301	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+3ACN+2H"	125.094202
"1705812"	710.169085	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+NH4+CF3COOH"	132.026685
"1642559"	715.12448	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+Na+CF3COOH"	136.98208
"1580397"	731.09842	"C10221"	"Epicatechin-(4beta-8)-ent-epicatechin"	"C30H26O12"	"578.1424"	"M+K+CF3COOH"	152.95602
"802014"	1730.396	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M"	0
"981017"	1711.37761	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-H2O-H"	-19.01839
"73633"	1152.59005733333	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M-3H"	-3.021828
"514287"	1729.388724	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M-3H"	-3.021828
"892090"	575.791390666667	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-3H"	-3.021828
"9570"	1729.388724	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M-2H"	-2.014552
"453504"	2594.586724	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M-2H"	-2.014552
"826935"	864.190724	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-2H"	-2.014552
"91303"	3459.784724	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M-H"	-1.007276
"533051"	5190.180724	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M-H"	-1.007276
"903201"	1729.388724	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-H"	-1.007276
"52107"	3476.811271	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M-2H+NH4"	16.019271
"490941"	5207.207271	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M-2H+NH4"	16.019271
"872755"	1746.415271	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-2H+NH4"	16.019271
"41750"	3481.766666	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M-2H+Na"	20.974666
"483497"	5212.162666	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M-2H+Na"	20.974666
"860207"	1751.370666	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-2H+Na"	20.974666
"1633756"	1751.370666	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Na-2H"	20.974666
"107366"	1747.377063	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M-H+Cl"	33.962126
"543647"	2612.575063	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M-H+Cl"	33.962126
"938254"	882.179063	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-H+Cl"	33.962126
"281877"	3495.761402	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+Cl"	34.969402
"672516"	5226.157402	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+Cl"	34.969402
"1287106"	1765.365402	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Cl"	34.969402
"30033"	3497.740606	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M-2H+K"	36.948606
"469594"	5228.136606	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M-2H+K"	36.948606
"844846"	1767.344606	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-2H+K"	36.948606
"1567238"	1767.344606	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+K-2H"	36.948606
"955124"	1775.394194	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-H+HCOOH"	44.998194
"371153"	3505.790201	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+HCOOH-H"	44.998201
"355035"	3519.805851	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+Hac-H"	59.013851
"1502775"	1789.409851	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Hac-H"	59.013851
"967035"	1797.376151	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-H+NaCOOH"	66.980151
"120315"	1765.365402	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+2Cl"	69.938804
"562063"	2630.563402	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+2Cl"	69.938804
"1029769"	900.167402	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2Cl"	69.938804
"1245701"	1809.314885	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Br"	78.918885
"1307786"	1811.370872	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Cl+HCOOH"	80.974872
"1323825"	1833.352829	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Cl+NaCOOH"	102.956829
"915246"	1843.381586	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M-H+CF3COOH"	112.985586
"1292327"	1879.358264	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Cl+CF3COOH"	148.962264
"1370853"	1695.383324	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H-2H2O"	-35.012676
"1385433"	1713.3933	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H-H2O"	-17.0027
"285848"	3461.799276	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+H"	1.007276
"683735"	5192.195276	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+H"	1.007276
"1361176"	1731.403276	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H"	1.007276
"134067"	1731.403276	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+2H"	2.014552
"574718"	2596.601276	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+2H"	2.014552
"1044612"	866.205276	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2H"	2.014552
"211418"	1154.60460933333	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+3H"	3.021828
"652072"	1731.403276	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+3H"	3.021828
"1171290"	577.805942666667	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+3H"	3.021828
"434565"	3478.825823	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+NH4"	18.033823
"790092"	5209.221823	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+NH4"	18.033823
"1689706"	1748.429823	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+NH4"	18.033823
"336891"	1739.9165495	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+H+NH4"	19.041099
"729312"	2605.1145495	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+H+NH4"	19.041099
"1482039"	874.7185495	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H+NH4"	19.041099
"402909"	3483.781218	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+Na"	22.989218
"767186"	5214.177218	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+Na"	22.989218
"1613099"	1753.385218	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Na"	22.989218
"323133"	1742.394247	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+H+Na"	23.996494
"716649"	2607.592247	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+H+Na"	23.996494
"1469378"	877.196247	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H+Na"	23.996494
"1059343"	585.133256666667	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2H+Na"	25.00377
"1260294"	1763.429486	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+CH3OH+H"	33.033486
"381787"	3499.755158	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+K"	38.963158
"743146"	5230.151158	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+K"	38.963158
"1551396"	1769.359158	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+K"	38.963158
"311489"	1750.381217	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+H+K"	39.970434
"706097"	2615.579217	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+H+K"	39.970434
"1459919"	885.183217	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H+K"	39.970434
"248884"	3502.825826	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+ACN+H"	42.033826
"1221591"	1772.429826	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+ACN+H"	42.033826
"1206572"	886.718551	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+ACN+2H"	43.041102
"202720"	3505.76316	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+2Na-H"	44.97116
"642156"	5236.15916	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+2Na-H"	44.97116
"1141410"	1775.36716	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2Na-H"	44.97116
"176318"	1753.385218	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+2Na"	45.978436
"620983"	2618.583218	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+2Na"	45.978436
"1124488"	888.187218	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2Na"	45.978436
"1412389"	592.460570666667	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H+2Na"	46.985712
"1440128"	1777.408746	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H+HCOOH"	47.012746
"233108"	1758.41824	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+3H2O+2H"	56.04448
"1522263"	1791.46079	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+IsoProp+H"	61.06479
"422683"	1761.372188	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+Na+K"	61.952376
"782585"	2626.570188	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+Na+K"	61.952376
"1677092"	896.174188	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Na+K"	61.952376
"261802"	3524.807768	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+ACN+Na"	64.015768
"1237060"	1794.411768	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+ACN+Na"	64.015768
"1724119"	1794.435293	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+NH4+HCOOH"	64.039293
"1187297"	599.787884666667	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+3Na"	68.967654
"1661559"	1799.390688	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Na+HCOOH"	68.994688
"168421"	3537.71104	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+2K-H"	76.91904
"607980"	5268.10704	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+2K-H"	76.91904
"1096499"	1807.31504	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2K-H"	76.91904
"152588"	1769.359158	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"2M+2K"	77.926316
"595432"	2634.557158	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"3M+2K"	77.926316
"1082131"	904.161158	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2K"	77.926316
"1114127"	1809.329592	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2K+H"	78.933592
"1350514"	1809.417207	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+DMSO+H"	79.021207
"1008229"	1813.456376	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2ACN+H"	83.060376
"1531822"	1814.450008	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+IsoProp+Na+H"	84.054008
"999363"	907.231826	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+2ACN+2H"	84.067652
"1600062"	1815.364628	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+K+HCOOH"	84.968628
"1422805"	1845.396138	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+H+CF3COOH"	115.000138
"1157467"	927.745101	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+3ACN+2H"	125.094202
"1701549"	1862.422685	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+NH4+CF3COOH"	132.026685
"1639389"	1867.37808	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+Na+CF3COOH"	136.98208
"1580507"	1883.35202	"C10222"	"Cinnamtannin A4;Epicatechin-(4beta-8)5-epicatechin"	"C90H74O36"	"1730.396"	"M+K+CF3COOH"	152.95602
"801542"	746.1483	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M"	0
"978940"	727.12991	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-H2O-H"	-19.01839
"73743"	496.424924	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M-3H"	-3.021828
"516220"	745.141024	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M-3H"	-3.021828
"890014"	247.708824	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-3H"	-3.021828
"7494"	745.141024	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M-2H"	-2.014552
"453614"	1118.215174	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M-2H"	-2.014552
"825952"	372.066874	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-2H"	-2.014552
"91413"	1491.289324	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M-H"	-1.007276
"530975"	2237.437624	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M-H"	-1.007276
"905498"	745.141024	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-H"	-1.007276
"52217"	1508.315871	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M-2H+NH4"	16.019271
"491780"	2254.464171	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M-2H+NH4"	16.019271
"871771"	762.167571	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-2H+NH4"	16.019271
"40767"	1513.271266	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M-2H+Na"	20.974666
"481421"	2259.419566	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M-2H+Na"	20.974666
"861046"	767.122966	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-2H+Na"	20.974666
"1633134"	767.122966	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Na-2H"	20.974666
"107476"	763.129363	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M-H+Cl"	33.962126
"543757"	1136.203513	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M-H+Cl"	33.962126
"941644"	390.055213	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-H+Cl"	33.962126
"280206"	1527.266002	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+Cl"	34.969402
"672626"	2273.414302	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+Cl"	34.969402
"1285030"	781.117702	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Cl"	34.969402
"29416"	1529.245206	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M-2H+K"	36.948606
"470796"	2275.393506	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M-2H+K"	36.948606
"845685"	783.096906	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-2H+K"	36.948606
"1568441"	783.096906	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+K-2H"	36.948606
"955963"	791.146494	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-H+HCOOH"	44.998194
"371264"	1537.294801	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+HCOOH-H"	44.998201
"357331"	1551.310451	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+Hac-H"	59.013851
"1505071"	805.162151	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Hac-H"	59.013851
"971520"	813.128451	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-H+NaCOOH"	66.980151
"120425"	781.117702	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+2Cl"	69.938804
"561080"	1154.191852	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+2Cl"	69.938804
"1028785"	408.043552	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2Cl"	69.938804
"1246540"	825.067185	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Br"	78.918885
"1308989"	827.123172	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Cl+HCOOH"	80.974872
"1327214"	849.105129	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Cl+NaCOOH"	102.956829
"915356"	859.133886	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M-H+CF3COOH"	112.985586
"1292073"	895.110564	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Cl+CF3COOH"	148.962264
"1370234"	711.135624	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H-2H2O"	-35.012676
"1384449"	729.1456	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H-H2O"	-17.0027
"292519"	1493.303876	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+H"	1.007276
"684939"	2239.452176	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+H"	1.007276
"1360193"	747.155576	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H"	1.007276
"135270"	747.155576	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+2H"	2.014552
"573734"	1120.229726	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+2H"	2.014552
"1042535"	374.081426	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2H"	2.014552
"211528"	498.439476	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+3H"	3.021828
"651088"	747.155576	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+3H"	3.021828
"1172493"	249.723376	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+3H"	3.021828
"433581"	1510.330423	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+NH4"	18.033823
"790202"	2256.478723	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+NH4"	18.033823
"1689816"	764.182123	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+NH4"	18.033823
"339188"	755.6688495	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+H+NH4"	19.041099
"728329"	1128.7429995	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+H+NH4"	19.041099
"1482149"	382.5946995	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H+NH4"	19.041099
"403018"	1515.285818	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+Na"	22.989218
"767297"	2261.434118	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+Na"	22.989218
"1612116"	769.137518	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Na"	22.989218
"324337"	758.146547	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+H+Na"	23.996494
"715666"	1131.220697	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+H+Na"	23.996494
"1471310"	385.072397	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H+Na"	23.996494
"1059453"	257.05069	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2H+Na"	25.00377
"1263320"	779.181786	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+CH3OH+H"	33.033486
"380803"	1531.259758	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+K"	38.963158
"741799"	2277.408058	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+K"	38.963158
"1551506"	785.111458	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+K"	38.963158
"311235"	766.133517	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+H+K"	39.970434
"705114"	1139.207667	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+H+K"	39.970434
"1460961"	393.059367	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H+K"	39.970434
"249359"	1534.330426	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+ACN+H"	42.033826
"1222067"	788.182126	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+ACN+H"	42.033826
"1206682"	394.594701	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+ACN+2H"	43.041102
"202467"	1537.26776	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+2Na-H"	44.97116
"643847"	2283.41606	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+2Na-H"	44.97116
"1141519"	791.11946	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2Na-H"	44.97116
"177521"	769.137518	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+2Na"	45.978436
"621093"	1142.211668	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+2Na"	45.978436
"1124598"	396.063368	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2Na"	45.978436
"1410675"	264.378004	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H+2Na"	46.985712
"1440238"	793.161046	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H+HCOOH"	47.012746
"233219"	774.17054	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+3H2O+2H"	56.04448
"1521281"	807.21309	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+IsoProp+H"	61.06479
"421701"	777.124488	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+Na+K"	61.952376
"780509"	1150.198638	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+Na+K"	61.952376
"1676474"	404.050338	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Na+K"	61.952376
"261541"	1556.312368	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+ACN+Na"	64.015768
"1238257"	810.164068	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+ACN+Na"	64.015768
"1725321"	810.187593	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+NH4+HCOOH"	64.039293
"1191412"	271.705318	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+3Na"	68.967654
"1663127"	815.142988	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Na+HCOOH"	68.994688
"171082"	1569.21564	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+2K-H"	76.91904
"610276"	2315.36394	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+2K-H"	76.91904
"1096609"	823.06734	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2K-H"	76.91904
"148320"	785.111458	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"2M+2K"	77.926316
"595300"	1158.185608	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"3M+2K"	77.926316
"1080054"	412.037308	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2K"	77.926316
"1112168"	825.081892	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2K+H"	78.933592
"1349650"	825.169507	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+DMSO+H"	79.021207
"1018182"	829.208676	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2ACN+H"	83.060376
"1533025"	830.202308	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+IsoProp+Na+H"	84.054008
"1001660"	415.107976	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+2ACN+2H"	84.067652
"1600171"	831.116928	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+K+HCOOH"	84.968628
"1426925"	861.148438	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+H+CF3COOH"	115.000138
"1159763"	435.621251	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+3ACN+2H"	125.094202
"1701659"	878.174985	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+NH4+CF3COOH"	132.026685
"1640592"	883.13038	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+Na+CF3COOH"	136.98208
"1580617"	899.10432	"C10223"	"Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester"	"C37H30O17"	"746.1483"	"M+K+CF3COOH"	152.95602
"802031"	938.1025	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M"	0
"977957"	919.08411	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-H2O-H"	-19.01839
"70573"	624.394390666667	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M-3H"	-3.021828
"513414"	937.095224	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M-3H"	-3.021828
"889031"	311.693557333333	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-3H"	-3.021828
"8697"	937.095224	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M-2H"	-2.014552
"453360"	1406.146474	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M-2H"	-2.014552
"826062"	468.043974	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-2H"	-2.014552
"89337"	1875.197724	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M-H"	-1.007276
"529989"	2813.300224	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M-H"	-1.007276
"908886"	937.095224	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-H"	-1.007276
"52327"	1892.224271	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M-2H+NH4"	16.019271
"489338"	2830.326771	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M-2H+NH4"	16.019271
"866773"	954.121771	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-2H+NH4"	16.019271
"35042"	1897.179666	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M-2H+Na"	20.974666
"476427"	2835.282166	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M-2H+Na"	20.974666
"853864"	959.077166	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-2H+Na"	20.974666
"1627773"	959.077166	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Na-2H"	20.974666
"106489"	955.083563	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M-H+Cl"	33.962126
"540586"	1424.134813	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M-H+Cl"	33.962126
"939567"	486.032313	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-H+Cl"	33.962126
"279953"	1911.174402	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+Cl"	34.969402
"672734"	2849.276902	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+Cl"	34.969402
"1287327"	973.071902	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Cl"	34.969402
"30253"	1913.153606	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M-2H+K"	36.948606
"470786"	2851.256106	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M-2H+K"	36.948606
"846158"	975.051106	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-2H+K"	36.948606
"1569645"	975.051106	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+K-2H"	36.948606
"956437"	983.100694	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-H+HCOOH"	44.998194
"372468"	1921.203201	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+HCOOH-H"	44.998201
"356349"	1935.218851	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+Hac-H"	59.013851
"1502996"	997.116351	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Hac-H"	59.013851
"970536"	1005.082651	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-H+NaCOOH"	66.980151
"123815"	973.071902	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+2Cl"	69.938804
"561189"	1442.123152	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+2Cl"	69.938804
"1029989"	504.020652	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2Cl"	69.938804
"1247379"	1017.021385	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Br"	78.918885
"1309099"	1019.077372	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Cl+HCOOH"	80.974872
"1325138"	1041.059329	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Cl+NaCOOH"	102.956829
"916560"	1051.088086	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M-H+CF3COOH"	112.985586
"1291819"	1087.064764	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Cl+CF3COOH"	148.962264
"1372167"	903.089824	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H-2H2O"	-35.012676
"1386382"	921.0998	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H-H2O"	-17.0027
"293722"	1877.212276	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+H"	1.007276
"687236"	2815.314776	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+H"	1.007276
"1361397"	939.109776	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H"	1.007276
"135380"	939.109776	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+2H"	2.014552
"574937"	1408.161026	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+2H"	2.014552
"1043738"	470.058526	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2H"	2.014552
"211638"	626.408942666667	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+3H"	3.021828
"651198"	939.109776	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+3H"	3.021828
"1170417"	313.708109333333	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+3H"	3.021828
"433691"	1894.238823	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+NH4"	18.033823
"790312"	2832.341323	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+NH4"	18.033823
"1691019"	956.136323	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+NH4"	18.033823
"339298"	947.6230495	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+H+NH4"	19.041099
"729532"	1416.6742995	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+H+NH4"	19.041099
"1481166"	478.5717995	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H+NH4"	19.041099
"403128"	1899.194218	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+Na"	22.989218
"763033"	2837.296718	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+Na"	22.989218
"1608944"	961.091718	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Na"	22.989218
"318250"	950.100747	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+H+Na"	23.996494
"712495"	1419.151997	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+H+Na"	23.996494
"1469599"	481.049497	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H+Na"	23.996494
"1056282"	321.035423333333	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2H+Na"	25.00377
"1263430"	971.135986	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+CH3OH+H"	33.033486
"380913"	1915.168158	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+K"	38.963158
"741908"	2853.270658	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+K"	38.963158
"1545055"	977.065658	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+K"	38.963158
"308791"	958.087717	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+H+K"	39.970434
"702303"	1427.138967	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+H+K"	39.970434
"1457217"	489.036467	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H+K"	39.970434
"245820"	1918.238826	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+ACN+H"	42.033826
"1221810"	980.136326	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+ACN+H"	42.033826
"1205697"	490.571801	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+ACN+2H"	43.041102
"201483"	1921.17616	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+2Na-H"	44.97116
"641403"	2859.27866	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+2Na-H"	44.97116
"1139442"	983.07366	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2Na-H"	44.97116
"177267"	961.091718	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+2Na"	45.978436
"621203"	1430.142968	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+2Na"	45.978436
"1124708"	492.040468	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2Na"	45.978436
"1411513"	328.362737333333	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H+2Na"	46.985712
"1437068"	985.115246	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H+HCOOH"	47.012746
"228949"	966.12474	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+3H2O+2H"	56.04448
"1514823"	999.16729	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+IsoProp+H"	61.06479
"422903"	969.078688	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+Na+K"	61.952376
"782076"	1438.129938	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+Na+K"	61.952376
"1674032"	500.027438	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Na+K"	61.952376
"264564"	1940.220768	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+ACN+Na"	64.015768
"1235448"	1002.118268	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+ACN+Na"	64.015768
"1723244"	1002.141793	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+NH4+HCOOH"	64.039293
"1190791"	335.690051333333	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+3Na"	68.967654
"1663965"	1007.097188	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Na+HCOOH"	68.994688
"172165"	1953.12404	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+2K-H"	76.91904
"610386"	2891.22654	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+2K-H"	76.91904
"1095626"	1015.02154	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2K-H"	76.91904
"148430"	977.065658	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"2M+2K"	77.926316
"594194"	1446.116908	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"3M+2K"	77.926316
"1082350"	508.014408	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2K"	77.926316
"1112278"	1017.036092	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2K+H"	78.933592
"1349760"	1017.123707	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+DMSO+H"	79.021207
"1018291"	1021.162876	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2ACN+H"	83.060376
"1535322"	1022.156508	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+IsoProp+Na+H"	84.054008
"1002863"	511.085076	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+2ACN+2H"	84.067652
"1601983"	1023.071128	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+K+HCOOH"	84.968628
"1428128"	1053.102638	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+H+CF3COOH"	115.000138
"1159873"	531.598351	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+3ACN+2H"	125.094202
"1701769"	1070.129185	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+NH4+CF3COOH"	132.026685
"1640702"	1075.08458	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+Na+CF3COOH"	136.98208
"1580727"	1091.05852	"C10224"	"Eugeniin;Tellimagrandin II"	"C41H30O26"	"938.1025"	"M+K+CF3COOH"	152.95602
"801737"	834.216	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M"	0
"978067"	815.19761	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-H2O-H"	-19.01839
"69590"	555.136724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M-3H"	-3.021828
"512431"	833.208724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M-3H"	-3.021828
"889140"	277.064724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-3H"	-3.021828
"8807"	833.208724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M-2H"	-2.014552
"452741"	1250.316724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M-2H"	-2.014552
"826172"	416.100724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-2H"	-2.014552
"88353"	1667.424724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M-H"	-1.007276
"529006"	2501.640724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M-H"	-1.007276
"908632"	833.208724	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-H"	-1.007276
"51345"	1684.451271	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M-2H+NH4"	16.019271
"492000"	2518.667271	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M-2H+NH4"	16.019271
"866883"	850.235271	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-2H+NH4"	16.019271
"34788"	1689.406666	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M-2H+Na"	20.974666
"478360"	2523.622666	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M-2H+Na"	20.974666
"855067"	855.190666	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-2H+Na"	20.974666
"1630071"	855.190666	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Na-2H"	20.974666
"100039"	851.197063	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M-H+Cl"	33.962126
"543976"	1268.305063	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M-H+Cl"	33.962126
"937490"	434.089063	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-H+Cl"	33.962126
"280425"	1703.401402	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+Cl"	34.969402
"672844"	2537.617402	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+Cl"	34.969402
"1285981"	869.185402	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Cl"	34.969402
"27085"	1705.380606	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M-2H+K"	36.948606
"469562"	2539.596606	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M-2H+K"	36.948606
"845905"	871.164606	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-2H+K"	36.948606
"1568661"	871.164606	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+K-2H"	36.948606
"956549"	879.214194	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-H+HCOOH"	44.998194
"372578"	1713.430201	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+HCOOH-H"	44.998201
"355367"	1727.445851	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+Hac-H"	59.013851
"1503107"	893.229851	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Hac-H"	59.013851
"971739"	901.196151	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-H+NaCOOH"	66.980151
"125022"	869.185402	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+2Cl"	69.938804
"561299"	1286.293402	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+2Cl"	69.938804
"1029006"	452.077402	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2Cl"	69.938804
"1246396"	913.134885	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Br"	78.918885
"1308845"	915.190872	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Cl+HCOOH"	80.974872
"1325248"	937.172829	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Cl+NaCOOH"	102.956829
"917399"	947.201586	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M-H+CF3COOH"	112.985586
"1291929"	983.178264	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Cl+CF3COOH"	148.962264
"1374464"	799.203324	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H-2H2O"	-35.012676
"1386857"	817.2133	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H-H2O"	-17.0027
"295655"	1669.439276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+H"	1.007276
"685159"	2503.655276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+H"	1.007276
"1361505"	835.223276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H"	1.007276
"134396"	835.223276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+2H"	2.014552
"571767"	1252.331276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+2H"	2.014552
"1041661"	418.115276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2H"	2.014552
"211748"	557.151276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+3H"	3.021828
"649122"	835.223276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+3H"	3.021828
"1171620"	279.079276	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+3H"	3.021828
"432708"	1686.465823	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+NH4"	18.033823
"792611"	2520.681823	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+NH4"	18.033823
"1690037"	852.249823	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+NH4"	18.033823
"339407"	843.7365495	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+H+NH4"	19.041099
"728547"	1260.8445495	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+H+NH4"	19.041099
"1482369"	426.6285495	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H+NH4"	19.041099
"401055"	1691.421218	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+Na"	22.989218
"762049"	2525.637218	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+Na"	22.989218
"1609054"	857.205218	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Na"	22.989218
"319453"	846.214247	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+H+Na"	23.996494
"712604"	1263.322247	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+H+Na"	23.996494
"1471530"	429.106247	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H+Na"	23.996494
"1054932"	286.40659	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2H+Na"	25.00377
"1261354"	867.249486	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+CH3OH+H"	33.033486
"378834"	1707.395158	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+K"	38.963158
"740925"	2541.611158	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+K"	38.963158
"1547352"	873.179158	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+K"	38.963158
"305621"	854.201217	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+H+K"	39.970434
"701319"	1271.309217	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+H+K"	39.970434
"1458420"	437.093217	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H+K"	39.970434
"247390"	1710.465826	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+ACN+H"	42.033826
"1223012"	876.249826	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+ACN+H"	42.033826
"1205804"	438.628551	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+ACN+2H"	43.041102
"202200"	1713.40316	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+2Na-H"	44.97116
"639326"	2547.61916	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+2Na-H"	44.97116
"1136271"	879.18716	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2Na-H"	44.97116
"178467"	857.205218	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+2Na"	45.978436
"621313"	1274.313218	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+2Na"	45.978436
"1124818"	440.097218	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2Na"	45.978436
"1411260"	293.733904	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H+2Na"	46.985712
"1444471"	881.228746	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H+HCOOH"	47.012746
"227966"	862.23824	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+3H2O+2H"	56.04448
"1517120"	895.28079	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+IsoProp+H"	61.06479
"417908"	865.192188	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+Na+K"	61.952376
"777807"	1282.300188	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+Na+K"	61.952376
"1677417"	448.084188	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Na+K"	61.952376
"261752"	1732.447768	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+ACN+Na"	64.015768
"1236647"	898.231768	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+ACN+Na"	64.015768
"1720073"	898.255293	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+NH4+HCOOH"	64.039293
"1190901"	301.061218	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+3Na"	68.967654
"1662981"	903.210688	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Na+HCOOH"	68.994688
"165468"	1745.35104	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+2K-H"	76.91904
"607215"	2579.56704	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+2K-H"	76.91904
"1092818"	911.13504	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2K-H"	76.91904
"150726"	873.179158	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"2M+2K"	77.926316
"596369"	1290.287158	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"3M+2K"	77.926316
"1081367"	456.071158	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2K"	77.926316
"1113481"	913.149592	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2K+H"	78.933592
"1349384"	913.237207	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+DMSO+H"	79.021207
"1019374"	917.276376	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2ACN+H"	83.060376
"1535432"	918.270008	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+IsoProp+Na+H"	84.054008
"1002973"	459.141826	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+2ACN+2H"	84.067652
"1596380"	919.184628	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+K+HCOOH"	84.968628
"1427508"	949.216138	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+H+CF3COOH"	115.000138
"1161442"	479.655101	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+3ACN+2H"	125.094202
"1697261"	966.242685	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+NH4+CF3COOH"	132.026685
"1642999"	971.19808	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+Na+CF3COOH"	136.98208
"1580837"	987.17202	"C10225"	"ent-Fisetinidol-(4beta-8)-catechin-(6-4beta)-ent-fisetinidol"	"C45H38O16"	"834.216"	"M+K+CF3COOH"	152.95602
"807922"	478.0536	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M"	0
"983644"	459.03521	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-H2O-H"	-19.01839
"69700"	317.695124	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M-3H"	-3.021828
"516913"	477.046324	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M-3H"	-3.021828
"889251"	158.343924	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-3H"	-3.021828
"11104"	477.046324	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M-2H"	-2.014552
"451758"	716.073124	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M-2H"	-2.014552
"825189"	238.019524	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-2H"	-2.014552
"85182"	955.099924	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M-H"	-1.007276
"530209"	1433.153524	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M-H"	-1.007276
"900719"	477.046324	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-H"	-1.007276
"60202"	972.126471	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M-2H+NH4"	16.019271
"498669"	1450.180071	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M-2H+NH4"	16.019271
"869913"	494.072871	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-2H+NH4"	16.019271
"38909"	977.081866	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M-2H+Na"	20.974666
"477376"	1455.135466	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M-2H+Na"	20.974666
"857364"	499.028266	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-2H+Na"	20.974666
"1632491"	499.028266	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Na-2H"	20.974666
"108049"	495.034663	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M-H+Cl"	33.962126
"548582"	734.061463	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M-H+Cl"	33.962126
"937236"	256.007863	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-H+Cl"	33.962126
"281752"	991.076602	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+Cl"	34.969402
"671495"	1469.130202	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+Cl"	34.969402
"1287184"	513.023002	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Cl"	34.969402
"27924"	993.055806	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M-2H+K"	36.948606
"467849"	1471.109406	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M-2H+K"	36.948606
"843828"	515.002206	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-2H+K"	36.948606
"1567678"	515.002206	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+K-2H"	36.948606
"956903"	523.051794	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-H+HCOOH"	44.998194
"373780"	1001.105401	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+HCOOH-H"	44.998201
"357663"	1015.121051	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+Hac-H"	59.013851
"1505402"	537.067451	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Hac-H"	59.013851
"970755"	545.033751	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-H+NaCOOH"	66.980151
"124766"	513.023002	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+2Cl"	69.938804
"560316"	752.049802	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+2Cl"	69.938804
"1024741"	273.996202	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2Cl"	69.938804
"1246141"	556.972485	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Br"	78.918885
"1308590"	559.028472	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Cl+HCOOH"	80.974872
"1324629"	581.010429	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Cl+NaCOOH"	102.956829
"917144"	591.039186	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M-H+CF3COOH"	112.985586
"1299693"	627.015864	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Cl+CF3COOH"	148.962264
"1373480"	443.040924	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H-2H2O"	-35.012676
"1388060"	461.0509	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H-H2O"	-17.0027
"295401"	957.114476	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+H"	1.007276
"687455"	1435.168076	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+H"	1.007276
"1361615"	479.060876	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H"	1.007276
"131224"	479.060876	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+2H"	2.014552
"570784"	718.087676	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+2H"	2.014552
"1045051"	240.034076	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2H"	2.014552
"215139"	319.709676	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+3H"	3.021828
"654699"	479.060876	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+3H"	3.021828
"1176105"	160.358476	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+3H"	3.021828
"435002"	974.141023	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+NH4"	18.033823
"798187"	1452.194623	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+NH4"	18.033823
"1689051"	496.087423	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+NH4"	18.033823
"340611"	487.5741495	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+H+NH4"	19.041099
"731939"	726.6009495	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+H+NH4"	19.041099
"1483573"	248.5473495	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H+NH4"	19.041099
"405904"	979.096418	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+Na"	22.989218
"765077"	1457.150018	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+Na"	22.989218
"1611354"	501.042818	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Na"	22.989218
"322480"	490.051847	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+H+Na"	23.996494
"712716"	729.078647	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+H+Na"	23.996494
"1468725"	251.025047	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H+Na"	23.996494
"1055773"	167.68579	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2H+Na"	25.00377
"1264745"	511.087086	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+CH3OH+H"	33.033486
"379311"	995.070358	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+K"	38.963158
"745409"	1473.123958	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+K"	38.963158
"1551836"	517.016758	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+K"	38.963158
"307918"	498.038817	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+H+K"	39.970434
"701430"	737.065617	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+H+K"	39.970434
"1458530"	259.012017	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H+K"	39.970434
"247135"	998.141026	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+ACN+H"	42.033826
"1222030"	520.087426	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+ACN+H"	42.033826
"1205914"	260.547351	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+ACN+2H"	43.041102
"200971"	1001.07836	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+2Na-H"	44.97116
"639436"	1479.13196	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+2Na-H"	44.97116
"1137474"	523.02476	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2Na-H"	44.97116
"177485"	501.042818	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+2Na"	45.978436
"624703"	740.069618	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+2Na"	45.978436
"1124928"	262.016018	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2Na"	45.978436
"1411734"	175.013104	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H+2Na"	46.985712
"1443849"	525.066346	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H+HCOOH"	47.012746
"224797"	506.07584	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+3H2O+2H"	56.04448
"1517230"	539.11839	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+IsoProp+H"	61.06479
"420202"	509.029788	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+Na+K"	61.952376
"777917"	748.056588	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+Na+K"	61.952376
"1670236"	270.002988	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Na+K"	61.952376
"255301"	1020.122968	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+ACN+Na"	64.015768
"1231290"	542.069368	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+ACN+Na"	64.015768
"1722370"	542.092893	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+NH4+HCOOH"	64.039293
"1191011"	182.340418	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+3Na"	68.967654
"1663091"	547.048288	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Na+HCOOH"	68.994688
"165578"	1033.02624	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+2K-H"	76.91904
"605138"	1511.07984	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+2K-H"	76.91904
"1091834"	554.97264	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2K-H"	76.91904
"151929"	517.016758	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"2M+2K"	77.926316
"596971"	756.043558	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"3M+2K"	77.926316
"1083425"	277.989958	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2K"	77.926316
"1114443"	556.987192	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2K+H"	78.933592
"1350588"	557.074807	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+DMSO+H"	79.021207
"1019604"	561.113976	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2ACN+H"	83.060376
"1538458"	562.107608	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+IsoProp+Na+H"	84.054008
"1004785"	281.060626	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+2ACN+2H"	84.067652
"1597583"	563.022228	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+K+HCOOH"	84.968628
"1424337"	593.053738	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+H+CF3COOH"	115.000138
"1158999"	301.573901	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+3ACN+2H"	125.094202
"1701991"	610.080285	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+NH4+CF3COOH"	132.026685
"1643109"	615.03568	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+Na+CF3COOH"	136.98208
"1580947"	631.00962	"C10226"	"Fucofuroeckol B"	"C24H14O11"	"478.0536"	"M+K+CF3COOH"	152.95602
"811314"	610.1323	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M"	0
"987036"	591.11391	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-H2O-H"	-19.01839
"74184"	405.747590666667	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M-3H"	-3.021828
"517997"	609.125024	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M-3H"	-3.021828
"890454"	202.370157333333	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-3H"	-3.021828
"7935"	609.125024	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M-2H"	-2.014552
"451870"	914.191174	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M-2H"	-2.014552
"827486"	304.058874	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-2H"	-2.014552
"93436"	1219.257324	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M-H"	-1.007276
"533118"	1829.389624	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M-H"	-1.007276
"907029"	609.125024	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-H"	-1.007276
"62260"	1236.283871	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M-2H+NH4"	16.019271
"493312"	1846.416171	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M-2H+NH4"	16.019271
"867835"	626.151571	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-2H+NH4"	16.019271
"41204"	1241.239266	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M-2H+Na"	20.974666
"479673"	1851.371566	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M-2H+Na"	20.974666
"858567"	631.106966	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-2H+Na"	20.974666
"1634141"	631.106966	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Na-2H"	20.974666
"109974"	627.113363	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M-H+Cl"	33.962126
"544194"	932.179513	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M-H+Cl"	33.962126
"940261"	322.047213	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-H+Cl"	33.962126
"282671"	1255.234002	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+Cl"	34.969402
"674764"	1865.366302	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+Cl"	34.969402
"1287293"	645.101702	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Cl"	34.969402
"26575"	1257.213206	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M-2H+K"	36.948606
"468322"	1867.345506	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M-2H+K"	36.948606
"843209"	647.080906	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-2H+K"	36.948606
"1563414"	647.080906	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+K-2H"	36.948606
"956769"	655.130494	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-H+HCOOH"	44.998194
"373893"	1265.262801	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+HCOOH-H"	44.998201
"357409"	1279.278451	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+Hac-H"	59.013851
"1504783"	669.146151	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Hac-H"	59.013851
"972324"	677.112451	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-H+NaCOOH"	66.980151
"124147"	645.101702	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+2Cl"	69.938804
"560426"	950.167852	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+2Cl"	69.938804
"1032506"	340.035552	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2Cl"	69.938804
"1246615"	689.051185	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Br"	78.918885
"1312347"	691.107172	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Cl+HCOOH"	80.974872
"1326561"	713.089129	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Cl+NaCOOH"	102.956829
"918712"	723.117886	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M-H+CF3COOH"	112.985586
"1299804"	759.094564	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Cl+CF3COOH"	148.962264
"1376873"	575.119624	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H-2H2O"	-35.012676
"1389265"	593.1296	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H-H2O"	-17.0027
"294054"	1221.271876	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+H"	1.007276
"682101"	1831.404176	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+H"	1.007276
"1360269"	611.139576	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H"	1.007276
"130244"	611.139576	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+2H"	2.014552
"573083"	916.205726	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+2H"	2.014552
"1049173"	306.073426	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2H"	2.014552
"214158"	407.762142666667	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+3H"	3.021828
"654813"	611.139576	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+3H"	3.021828
"1174762"	204.384709333333	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+3H"	3.021828
"439001"	1238.298423	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+NH4"	18.033823
"797203"	1848.430723	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+NH4"	18.033823
"1692444"	628.166123	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+NH4"	18.033823
"341814"	619.6528495	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+H+NH4"	19.041099
"732049"	924.7189995	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+H+NH4"	19.041099
"1486962"	314.5866995	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H+NH4"	19.041099
"407107"	1243.253818	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+Na"	22.989218
"765552"	1853.386118	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+Na"	22.989218
"1613650"	633.121518	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Na"	22.989218
"325873"	622.130547	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+H+Na"	23.996494
"715013"	927.196697	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+H+Na"	23.996494
"1468835"	317.064397	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H+Na"	23.996494
"1062082"	211.712023333333	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2H+Na"	25.00377
"1271660"	643.165786	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+CH3OH+H"	33.033486
"392056"	1259.227758	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+K"	38.963158
"752080"	1869.360058	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+K"	38.963158
"1548667"	649.095458	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+K"	38.963158
"312405"	630.117517	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+H+K"	39.970434
"703731"	935.183667	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+H+K"	39.970434
"1458646"	325.051367	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H+K"	39.970434
"247244"	1262.298426	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+ACN+H"	42.033826
"1222144"	652.166126	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+ACN+H"	42.033826
"1204932"	326.586701	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+ACN+2H"	43.041102
"197801"	1265.23576	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+2Na-H"	44.97116
"635175"	1875.36806	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+2Na-H"	44.97116
"1136128"	655.10346	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2Na-H"	44.97116
"181972"	633.121518	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+2Na"	45.978436
"627368"	938.187668	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+2Na"	45.978436
"1129415"	328.055368	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2Na"	45.978436
"1408565"	219.039337333333	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H+2Na"	46.985712
"1441773"	657.145046	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H+HCOOH"	47.012746
"232564"	638.15454	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+3H2O+2H"	56.04448
"1519533"	671.19709	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+IsoProp+H"	61.06479
"420312"	641.108488	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+Na+K"	61.952376
"778028"	946.174638	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+Na+K"	61.952376
"1669986"	336.042338	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Na+K"	61.952376
"263800"	1284.280368	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+ACN+Na"	64.015768
"1236870"	674.148068	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+ACN+Na"	64.015768
"1723572"	674.171593	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+NH4+HCOOH"	64.039293
"1192341"	226.366651333333	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+3Na"	68.967654
"1662109"	679.126988	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Na+HCOOH"	68.994688
"170062"	1297.18364	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+2K-H"	76.91904
"608528"	1907.31594	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+2K-H"	76.91904
"1098512"	687.05134	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2K-H"	76.91904
"152044"	649.095458	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"2M+2K"	77.926316
"594771"	954.161608	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"3M+2K"	77.926316
"1083986"	344.029308	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2K"	77.926316
"1115287"	689.065892	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2K+H"	78.933592
"1346811"	689.153507	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+DMSO+H"	79.021207
"1016432"	693.192676	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2ACN+H"	83.060376
"1533464"	694.186308	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+IsoProp+Na+H"	84.054008
"998819"	347.099976	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+2ACN+2H"	84.067652
"1599882"	695.100928	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+K+HCOOH"	84.968628
"1428701"	725.132438	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+H+CF3COOH"	115.000138
"1160203"	367.613251	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+3ACN+2H"	125.094202
"1704289"	742.158985	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+NH4+CF3COOH"	132.026685
"1643219"	747.11438	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+Na+CF3COOH"	136.98208
"1581057"	763.08832	"C10227"	"Gallocatechin-(4alpha-8)-epigallocatechin"	"C30H26O14"	"610.1323"	"M+K+CF3COOH"	152.95602
"808142"	562.1475	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M"	0
"987507"	543.12911	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-H2O-H"	-19.01839
"71014"	373.757724	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M-3H"	-3.021828
"511666"	561.140224	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M-3H"	-3.021828
"889470"	186.375224	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-3H"	-3.021828
"9138"	561.140224	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M-2H"	-2.014552
"448699"	842.213974	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M-2H"	-2.014552
"827596"	280.066474	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-2H"	-2.014552
"93058"	1123.287724	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M-H"	-1.007276
"531525"	1685.435224	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M-H"	-1.007276
"903860"	561.140224	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-H"	-1.007276
"60422"	1140.314271	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M-2H+NH4"	16.019271
"489412"	1702.461771	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M-2H+NH4"	16.019271
"871228"	578.166771	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-2H+NH4"	16.019271
"40221"	1145.269666	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M-2H+Na"	20.974666
"480876"	1707.417166	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M-2H+Na"	20.974666
"858678"	583.122166	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-2H+Na"	20.974666
"1632468"	583.122166	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Na-2H"	20.974666
"108998"	579.128563	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M-H+Cl"	33.962126
"544304"	860.202313	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M-H+Cl"	33.962126
"941102"	298.054813	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-H+Cl"	33.962126
"281847"	1159.264402	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+Cl"	34.969402
"673173"	1721.411902	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+Cl"	34.969402
"1287767"	597.116902	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Cl"	34.969402
"27779"	1161.243606	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M-2H+K"	36.948606
"468069"	1723.391106	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M-2H+K"	36.948606
"844412"	599.096106	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-2H+K"	36.948606
"1562431"	599.096106	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+K-2H"	36.948606
"956151"	607.145694	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-H+HCOOH"	44.998194
"373636"	1169.293201	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+HCOOH-H"	44.998201
"357885"	1183.308851	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+Hac-H"	59.013851
"1504528"	621.161351	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Hac-H"	59.013851
"971341"	629.127651	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-H+NaCOOH"	66.980151
"124622"	597.116902	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+2Cl"	69.938804
"560536"	878.190652	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+2Cl"	69.938804
"1030429"	316.043152	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2Cl"	69.938804
"1247454"	641.066385	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Br"	78.918885
"1313550"	643.122372	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Cl+HCOOH"	80.974872
"1327035"	665.104329	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Cl+NaCOOH"	102.956829
"917729"	675.133086	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M-H+CF3COOH"	112.985586
"1298822"	711.109764	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Cl+CF3COOH"	148.962264
"1375889"	527.134824	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H-2H2O"	-35.012676
"1392292"	545.1448	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H-H2O"	-17.0027
"294164"	1125.302276	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+H"	1.007276
"683304"	1687.449776	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+H"	1.007276
"1360379"	563.154776	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H"	1.007276
"132540"	563.154776	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+2H"	2.014552
"569914"	844.228526	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+2H"	2.014552
"1046366"	282.081026	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2H"	2.014552
"207710"	375.772276	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+3H"	3.021828
"651643"	563.154776	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+3H"	3.021828
"1174872"	188.389776	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+3H"	3.021828
"433036"	1142.328823	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+NH4"	18.033823
"795127"	1704.476323	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+NH4"	18.033823
"1688181"	580.181323	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+NH4"	18.033823
"338644"	571.6680495	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+H+NH4"	19.041099
"729972"	852.7417995	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+H+NH4"	19.041099
"1482699"	290.5942995	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H+NH4"	19.041099
"403574"	1147.284218	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+Na"	22.989218
"765663"	1709.431718	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+Na"	22.989218
"1614853"	585.136718	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Na"	22.989218
"325983"	574.145747	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+H+Na"	23.996494
"716216"	855.219497	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+H+Na"	23.996494
"1468945"	293.071997	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H+Na"	23.996494
"1062192"	195.71709	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2H+Na"	25.00377
"1272418"	595.180986	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+CH3OH+H"	33.033486
"390100"	1163.258158	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+K"	38.963158
"751825"	1725.405658	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+K"	38.963158
"1549870"	601.110658	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+K"	38.963158
"310329"	582.132717	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+H+K"	39.970434
"702748"	863.206467	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+H+K"	39.970434
"1457663"	301.058967	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H+K"	39.970434
"249176"	1166.328826	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+ACN+H"	42.033826
"1221160"	604.181326	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+ACN+H"	42.033826
"1202856"	302.594301	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+ACN+2H"	43.041102
"197911"	1169.26616	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+2Na-H"	44.97116
"634192"	1731.41366	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+2Na-H"	44.97116
"1135874"	607.11866	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2Na-H"	44.97116
"180989"	585.136718	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+2Na"	45.978436
"624925"	866.210468	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+2Na"	45.978436
"1127337"	304.062968	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2Na"	45.978436
"1403207"	203.044404	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H+2Na"	46.985712
"1439696"	609.160246	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H+HCOOH"	47.012746
"226111"	590.16974	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+3H2O+2H"	56.04448
"1518547"	623.21229	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+IsoProp+H"	61.06479
"412766"	593.123688	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+Na+K"	61.952376
"775952"	874.197438	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+Na+K"	61.952376
"1672283"	312.049938	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Na+K"	61.952376
"262088"	1188.310768	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+ACN+Na"	64.015768
"1233700"	626.163268	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+ACN+Na"	64.015768
"1719304"	626.186793	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+NH4+HCOOH"	64.039293
"1190138"	210.371718	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+3Na"	68.967654
"1663312"	631.142188	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Na+HCOOH"	68.994688
"170172"	1201.21404	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+2K-H"	76.91904
"605358"	1763.36154	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+2K-H"	76.91904
"1099227"	639.06654	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2K-H"	76.91904
"152154"	601.110658	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"2M+2K"	77.926316
"594881"	882.184408	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"3M+2K"	77.926316
"1084136"	320.036908	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2K"	77.926316
"1114423"	641.081092	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2K+H"	78.933592
"1346921"	641.168707	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+DMSO+H"	79.021207
"1014357"	645.207876	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2ACN+H"	83.060376
"1537947"	646.201508	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+IsoProp+Na+H"	84.054008
"1001115"	323.107576	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+2ACN+2H"	84.067652
"1596712"	647.116128	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+K+HCOOH"	84.968628
"1426745"	677.147638	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+H+CF3COOH"	115.000138
"1160311"	343.620851	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+3ACN+2H"	125.094202
"1704399"	694.174185	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+NH4+CF3COOH"	132.026685
"1643329"	699.12958	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+Na+CF3COOH"	136.98208
"1581167"	715.10352	"C10228"	"Gambiriin C;Epiafzelechin-(4beta-8)-catechin"	"C30H26O11"	"562.1475"	"M+K+CF3COOH"	152.95602
"808252"	1872.1738	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M"	0
"988345"	1853.15541	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-H2O-H"	-19.01839
"71124"	1247.10859066667	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M-3H"	-3.021828
"510683"	1871.166524	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M-3H"	-3.021828
"889580"	623.050657333333	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-3H"	-3.021828
"9248"	1871.166524	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M-2H"	-2.014552
"449902"	2807.253424	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M-2H"	-2.014552
"828799"	935.079624	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-2H"	-2.014552
"92077"	3743.340324	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M-H"	-1.007276
"530542"	5615.514124	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M-H"	-1.007276
"903970"	1871.166524	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-H"	-1.007276
"61504"	3760.366871	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M-2H+NH4"	16.019271
"490252"	5632.540671	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M-2H+NH4"	16.019271
"875713"	1888.193071	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-2H+NH4"	16.019271
"38146"	3765.322266	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M-2H+Na"	20.974666
"482080"	5637.496066	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M-2H+Na"	20.974666
"859883"	1893.148466	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-2H+Na"	20.974666
"1628323"	1893.148466	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Na-2H"	20.974666
"109521"	1889.154863	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M-H+Cl"	33.962126
"541134"	2825.241763	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M-H+Cl"	33.962126
"942550"	953.067963	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-H+Cl"	33.962126
"282405"	3779.317002	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+Cl"	34.969402
"674012"	5651.490802	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+Cl"	34.969402
"1287635"	1907.143202	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Cl"	34.969402
"27524"	3781.296206	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M-2H+K"	36.948606
"468907"	5653.470006	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M-2H+K"	36.948606
"843429"	1909.122406	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-2H+K"	36.948606
"1562541"	1909.122406	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+K-2H"	36.948606
"955897"	1917.171994	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-H+HCOOH"	44.998194
"373382"	3789.345801	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+HCOOH-H"	44.998201
"357993"	3803.361451	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+Hac-H"	59.013851
"1503547"	1931.187651	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Hac-H"	59.013851
"971452"	1939.153951	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-H+NaCOOH"	66.980151
"124367"	1907.143202	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+2Cl"	69.938804
"560646"	2843.230102	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+2Cl"	69.938804
"1029446"	971.056302	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2Cl"	69.938804
"1250116"	1951.092685	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Br"	78.918885
"1313660"	1953.148672	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Cl+HCOOH"	80.974872
"1327875"	1975.130629	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Cl+NaCOOH"	102.956829
"917110"	1985.159386	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M-H+CF3COOH"	112.985586
"1295651"	2021.136064	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Cl+CF3COOH"	148.962264
"1376728"	1837.161124	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H-2H2O"	-35.012676
"1391309"	1855.1711	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H-H2O"	-17.0027
"292088"	3745.354876	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+H"	1.007276
"684506"	5617.528676	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+H"	1.007276
"1357573"	1873.181076	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H"	1.007276
"129733"	1873.181076	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+2H"	2.014552
"572209"	2809.267976	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+2H"	2.014552
"1045382"	937.094176	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2H"	2.014552
"214376"	1249.12314266667	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+3H"	3.021828
"655031"	1873.181076	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+3H"	3.021828
"1174251"	625.065209333333	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+3H"	3.021828
"438250"	3762.381423	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+NH4"	18.033823
"795237"	5634.555223	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+NH4"	18.033823
"1691567"	1890.207623	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+NH4"	18.033823
"337658"	1881.6943495	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+H+NH4"	19.041099
"731174"	2817.7812495	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+H+NH4"	19.041099
"1480618"	945.6074495	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H+NH4"	19.041099
"406598"	3767.336818	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+Na"	22.989218
"766865"	5639.510618	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+Na"	22.989218
"1615691"	1895.163018	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Na"	22.989218
"323542"	1884.172047	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+H+Na"	23.996494
"715232"	2820.258947	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+H+Na"	23.996494
"1469055"	948.085147	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H+Na"	23.996494
"1067042"	632.392523333333	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2H+Na"	25.00377
"1272244"	1905.207286	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+CH3OH+H"	33.033486
"392155"	3783.310758	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+K"	38.963158
"752299"	5655.484558	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+K"	38.963158
"1553262"	1911.136958	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+K"	38.963158
"310438"	1892.159017	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+H+K"	39.970434
"705044"	2828.245917	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+H+K"	39.970434
"1457772"	956.072117	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H+K"	39.970434
"247100"	3786.381426	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+ACN+H"	42.033826
"1220175"	1914.207626	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+ACN+H"	42.033826
"1204058"	957.607451	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+ACN+2H"	43.041102
"195834"	3789.31876	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+2Na-H"	44.97116
"633209"	5661.49256	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+2Na-H"	44.97116
"1135619"	1917.14496	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2Na-H"	44.97116
"181099"	1895.163018	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+2Na"	45.978436
"623578"	2831.249918	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+2Na"	45.978436
"1125625"	959.076118	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2Na"	45.978436
"1403317"	639.719837333333	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H+2Na"	46.985712
"1435432"	1919.186546	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H+HCOOH"	47.012746
"225127"	1900.19604	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+3H2O+2H"	56.04448
"1517199"	1933.23859	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+IsoProp+H"	61.06479
"413967"	1903.149988	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+Na+K"	61.952376
"776061"	2839.236888	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+Na+K"	61.952376
"1670205"	967.063088	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Na+K"	61.952376
"257820"	3808.363368	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+ACN+Na"	64.015768
"1230528"	1936.189568	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+ACN+Na"	64.015768
"1718321"	1936.213093	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+NH4+HCOOH"	64.039293
"1187687"	647.047151333333	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+3Na"	68.967654
"1660140"	1941.168488	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Na+HCOOH"	68.994688
"169188"	3821.26664	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+2K-H"	76.91904
"605468"	5693.44044	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+2K-H"	76.91904
"1095447"	1949.09284	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2K-H"	76.91904
"152264"	1911.136958	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"2M+2K"	77.926316
"596898"	2847.223858	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"3M+2K"	77.926316
"1084044"	975.050058	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2K"	77.926316
"1115140"	1951.107392	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2K+H"	78.933592
"1348124"	1951.195007	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+DMSO+H"	79.021207
"1016655"	1955.234176	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2ACN+H"	83.060376
"1538057"	1956.227808	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+IsoProp+Na+H"	84.054008
"1001225"	978.120726	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+2ACN+2H"	84.067652
"1596822"	1957.142428	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+K+HCOOH"	84.968628
"1429042"	1987.173938	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+H+CF3COOH"	115.000138
"1160421"	998.634001	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+3ACN+2H"	125.094202
"1707789"	2004.200485	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+NH4+CF3COOH"	132.026685
"1643439"	2009.15588	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+Na+CF3COOH"	136.98208
"1581277"	2025.12982	"C10229"	"Gemin A"	"C82H56O52"	"1872.1738"	"M+K+CF3COOH"	152.95602
"807269"	952.0818	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M"	0
"987362"	933.06341	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-H2O-H"	-19.01839
"71234"	633.713924	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M-3H"	-3.021828
"515168"	951.074524	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M-3H"	-3.021828
"888598"	316.353324	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-3H"	-3.021828
"11547"	951.074524	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M-2H"	-2.014552
"451106"	1427.115424	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M-2H"	-2.014552
"830003"	475.033624	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-2H"	-2.014552
"91824"	1903.156324	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M-H"	-1.007276
"528464"	2855.238124	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M-H"	-1.007276
"905172"	951.074524	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-H"	-1.007276
"61982"	1920.182871	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M-2H+NH4"	16.019271
"496921"	2872.264671	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M-2H+NH4"	16.019271
"874730"	968.101071	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-2H+NH4"	16.019271
"41536"	1925.138266	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M-2H+Na"	20.974666
"484379"	2877.220066	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M-2H+Na"	20.974666
"863032"	973.056466	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-2H+Na"	20.974666
"1628433"	973.056466	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Na-2H"	20.974666
"108975"	969.062863	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M-H+Cl"	33.962126
"544524"	1445.103763	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M-H+Cl"	33.962126
"940960"	493.021963	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-H+Cl"	33.962126
"279518"	1939.133002	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+Cl"	34.969402
"670113"	2891.214802	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+Cl"	34.969402
"1285801"	987.051202	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Cl"	34.969402
"27268"	1941.112206	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M-2H+K"	36.948606
"469382"	2893.194006	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M-2H+K"	36.948606
"845361"	989.030406	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-2H+K"	36.948606
"1565931"	989.030406	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+K-2H"	36.948606
"956737"	997.079994	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-H+HCOOH"	44.998194
"372400"	1949.161801	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+HCOOH-H"	44.998201
"355918"	1963.177451	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+Hac-H"	59.013851
"1501472"	1011.095651	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Hac-H"	59.013851
"969010"	1019.061951	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-H+NaCOOH"	66.980151
"122656"	987.051202	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+2Cl"	69.938804
"560756"	1463.092102	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+2Cl"	69.938804
"1034660"	511.010302	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2Cl"	69.938804
"1254603"	1031.000685	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Br"	78.918885
"1314865"	1033.056672	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Cl+HCOOH"	80.974872
"1331267"	1055.038629	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Cl+NaCOOH"	102.956829
"920138"	1065.067386	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M-H+CF3COOH"	112.985586
"1300864"	1101.044064	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Cl+CF3COOH"	148.962264
"1376107"	917.069124	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H-2H2O"	-35.012676
"1392512"	935.0791	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H-H2O"	-17.0027
"290011"	1905.170876	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+H"	1.007276
"681337"	2857.252676	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+H"	1.007276
"1357683"	953.089076	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H"	1.007276
"132759"	953.089076	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+2H"	2.014552
"572319"	1429.129976	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+2H"	2.014552
"1045492"	477.048176	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2H"	2.014552
"211206"	635.728476	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+3H"	3.021828
"656234"	953.089076	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+3H"	3.021828
"1175091"	318.367876	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+3H"	3.021828
"436537"	1922.197423	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+NH4"	18.033823
"797532"	2874.279223	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+NH4"	18.033823
"1689490"	970.115623	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+NH4"	18.033823
"341048"	961.6023495	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+H+NH4"	19.041099
"731284"	1437.6432495	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+H+NH4"	19.041099
"1484007"	485.5614495	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H+NH4"	19.041099
"404890"	1927.152818	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+Na"	22.989218
"767951"	2879.234618	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+Na"	22.989218
"1615802"	975.071018	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Na"	22.989218
"326932"	964.080047	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+H+Na"	23.996494
"717165"	1440.120947	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+H+Na"	23.996494
"1471352"	488.039147	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H+Na"	23.996494
"1066665"	325.69519	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2H+Na"	25.00377
"1271261"	985.115286	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+CH3OH+H"	33.033486
"392023"	1943.126758	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+K"	38.963158
"752409"	2895.208558	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+K"	38.963158
"1552279"	991.044958	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+K"	38.963158
"311277"	972.067017	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+H+K"	39.970434
"702968"	1448.107917	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+H+K"	39.970434
"1456790"	496.026117	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H+K"	39.970434
"249035"	1946.197426	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+ACN+H"	42.033826
"1219192"	994.115626	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+ACN+H"	42.033826
"1204169"	497.561451	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+ACN+2H"	43.041102
"198860"	1949.13476	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+2Na-H"	44.97116
"636599"	2901.21656	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+2Na-H"	44.97116
"1140104"	997.05296	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2Na-H"	44.97116
"184125"	975.071018	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+2Na"	45.978436
"622961"	1451.111918	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+2Na"	45.978436
"1124277"	499.030118	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2Na"	45.978436
"1403427"	333.022504	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H+2Na"	46.985712
"1435543"	999.094546	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H+HCOOH"	47.012746
"229614"	980.10404	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+3H2O+2H"	56.04448
"1518405"	1013.14659	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+IsoProp+H"	61.06479
"412985"	983.057988	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+Na+K"	61.952376
"775078"	1459.098888	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+Na+K"	61.952376
"1674325"	507.017088	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Na+K"	61.952376
"259023"	1968.179368	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+ACN+Na"	64.015768
"1233919"	1016.097568	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+ACN+Na"	64.015768
"1720619"	1016.121093	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+NH4+HCOOH"	64.039293
"1184882"	340.349818	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+3Na"	68.967654
"1658063"	1021.076488	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Na+HCOOH"	68.994688
"168205"	1981.08264	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+2K-H"	76.91904
"605578"	2933.16444	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+2K-H"	76.91904
"1098474"	1029.00084	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2K-H"	76.91904
"155533"	991.044958	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"2M+2K"	77.926316
"596886"	1467.085858	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"3M+2K"	77.926316
"1083380"	515.004058	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2K"	77.926316
"1115496"	1031.015392	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2K+H"	78.933592
"1350664"	1031.103007	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+DMSO+H"	79.021207
"1016764"	1035.142176	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2ACN+H"	83.060376
"1535982"	1036.135808	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+IsoProp+Na+H"	84.054008
"1003523"	518.074726	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+2ACN+2H"	84.067652
"1600212"	1037.050428	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+K+HCOOH"	84.968628
"1429031"	1067.081938	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+H+CF3COOH"	115.000138
"1161505"	538.588001	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+3ACN+2H"	125.094202
"1705712"	1084.108485	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+NH4+CF3COOH"	132.026685
"1643549"	1089.06388	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+Na+CF3COOH"	136.98208
"1581387"	1105.03782	"C10230"	"Geraniin"	"C41H28O27"	"952.0818"	"M+K+CF3COOH"	152.95602
"808472"	546.1526	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M"	0
"987472"	527.13421	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-H2O-H"	-19.01839
"76812"	363.094457333333	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M-3H"	-3.021828
"516373"	545.145324	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M-3H"	-3.021828
"889801"	181.043590666667	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-3H"	-3.021828
"13479"	545.145324	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M-2H"	-2.014552
"454495"	818.221624	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M-2H"	-2.014552
"831206"	272.069024	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-2H"	-2.014552
"90108"	1091.297924	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M-H"	-1.007276
"528576"	1637.450524	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M-H"	-1.007276
"905283"	545.145324	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-H"	-1.007276
"62457"	1108.324471	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M-2H+NH4"	16.019271
"497031"	1654.477071	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M-2H+NH4"	16.019271
"877878"	562.171871	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-2H+NH4"	16.019271
"44562"	1113.279866	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M-2H+Na"	20.974666
"485583"	1659.432466	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M-2H+Na"	20.974666
"862291"	567.127266	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-2H+Na"	20.974666
"1630729"	567.127266	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Na-2H"	20.974666
"109085"	563.133663	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M-H+Cl"	33.962126
"541352"	836.209963	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M-H+Cl"	33.962126
"934867"	290.057363	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-H+Cl"	33.962126
"275614"	1127.274602	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+Cl"	34.969402
"666943"	1673.427202	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+Cl"	34.969402
"1283725"	581.122002	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Cl"	34.969402
"26285"	1129.253806	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M-2H+K"	36.948606
"466944"	1675.406406	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M-2H+K"	36.948606
"844742"	583.101206	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-2H+K"	36.948606
"1563856"	583.101206	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+K-2H"	36.948606
"953564"	591.150794	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-H+HCOOH"	44.998194
"372146"	1137.303401	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+HCOOH-H"	44.998201
"357119"	1151.319051	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+Hac-H"	59.013851
"1503404"	605.166451	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Hac-H"	59.013851
"966572"	613.132751	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-H+NaCOOH"	66.980151
"121673"	581.122002	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+2Cl"	69.938804
"559773"	854.198302	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+2Cl"	69.938804
"1032585"	308.045702	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2Cl"	69.938804
"1251799"	625.071485	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Br"	78.918885
"1313882"	627.127472	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Cl+HCOOH"	80.974872
"1328098"	649.109429	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Cl+NaCOOH"	102.956829
"919155"	659.138186	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M-H+CF3COOH"	112.985586
"1294776"	695.114864	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Cl+CF3COOH"	148.962264
"1378040"	511.139924	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H-2H2O"	-35.012676
"1388245"	529.1499	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H-H2O"	-17.0027
"289027"	1093.312476	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+H"	1.007276
"682541"	1639.465076	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+H"	1.007276
"1355606"	547.159876	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H"	1.007276
"129589"	547.159876	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+2H"	2.014552
"572429"	820.236176	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+2H"	2.014552
"1040135"	274.083576	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2H"	2.014552
"209129"	365.109009333333	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+3H"	3.021828
"651970"	547.159876	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+3H"	3.021828
"1171189"	183.058142666667	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+3H"	3.021828
"434460"	1110.339023	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+NH4"	18.033823
"795455"	1656.491623	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+NH4"	18.033823
"1690693"	564.186423	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+NH4"	18.033823
"341158"	555.6731495	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+H+NH4"	19.041099
"732487"	828.7494495	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+H+NH4"	19.041099
"1484117"	282.5968495	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H+NH4"	19.041099
"405000"	1115.294418	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+Na"	22.989218
"763808"	1661.447018	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+Na"	22.989218
"1616278"	569.141818	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Na"	22.989218
"327042"	558.150847	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+H+Na"	23.996494
"716911"	831.227147	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+H+Na"	23.996494
"1471459"	285.074547	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H+Na"	23.996494
"1066895"	190.385456666667	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2H+Na"	25.00377
"1272263"	579.186086	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+CH3OH+H"	33.033486
"392011"	1131.268358	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+K"	38.963158
"752155"	1677.420958	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+K"	38.963158
"1550203"	585.115758	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+K"	38.963158
"310656"	566.137817	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+H+K"	39.970434
"703078"	839.214117	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+H+K"	39.970434
"1457629"	293.061517	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H+K"	39.970434
"247685"	1134.339026	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+ACN+H"	42.033826
"1218211"	588.186426	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+ACN+H"	42.033826
"1203185"	294.596851	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+ACN+2H"	43.041102
"198242"	1137.27636	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+2Na-H"	44.97116
"634886"	1683.42896	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+2Na-H"	44.97116
"1137298"	591.12376	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2Na-H"	44.97116
"181319"	569.141818	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+2Na"	45.978436
"618697"	842.218118	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+2Na"	45.978436
"1124388"	296.065518	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2Na"	45.978436
"1406818"	197.712770666667	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H+2Na"	46.985712
"1438206"	593.165346	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H+HCOOH"	47.012746
"227537"	574.17484	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+3H2O+2H"	56.04448
"1517420"	607.21739	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+IsoProp+H"	61.06479
"412366"	577.128788	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+Na+K"	61.952376
"771904"	850.205088	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+Na+K"	61.952376
"1669330"	304.052488	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Na+K"	61.952376
"254755"	1156.320968	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+ACN+Na"	64.015768
"1229652"	610.168368	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+ACN+Na"	64.015768
"1718540"	610.191893	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+NH4+HCOOH"	64.039293
"1184991"	205.040084666667	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+3Na"	68.967654
"1658174"	615.147288	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Na+HCOOH"	68.994688
"167222"	1169.22424	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+2K-H"	76.91904
"604595"	1715.37684	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+2K-H"	76.91904
"1094575"	623.07164	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2K-H"	76.91904
"153578"	585.115758	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"2M+2K"	77.926316
"596835"	858.192058	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"3M+2K"	77.926316
"1083856"	312.039458	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2K"	77.926316
"1114510"	625.086192	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2K+H"	78.933592
"1350977"	625.173807	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+DMSO+H"	79.021207
"1015780"	629.212976	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2ACN+H"	83.060376
"1534999"	630.206608	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+IsoProp+Na+H"	84.054008
"1003512"	315.110126	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+2ACN+2H"	84.067652
"1599229"	631.121228	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+K+HCOOH"	84.968628
"1428169"	661.152738	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+H+CF3COOH"	115.000138
"1161736"	335.623401	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+3ACN+2H"	125.094202
"1705821"	678.179285	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+NH4+CF3COOH"	132.026685
"1643659"	683.13468	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+Na+CF3COOH"	136.98208
"1581497"	699.10862	"C10231"	"Guibourtinidol-(4alpha-6)-catechin"	"C30H26O10"	"546.1526"	"M+K+CF3COOH"	152.95602
"808582"	954.0974	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M"	0
"986489"	935.07901	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-H2O-H"	-19.01839
"78015"	635.057657333333	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M-3H"	-3.021828
"517576"	953.090124	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M-3H"	-3.021828
"889911"	317.025190666667	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-3H"	-3.021828
"13953"	953.090124	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M-2H"	-2.014552
"453512"	1430.138824	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M-2H"	-2.014552
"831316"	476.041424	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-2H"	-2.014552
"92404"	1907.187524	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M-H"	-1.007276
"525403"	2861.284924	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M-H"	-1.007276
"899924"	953.090124	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-H"	-1.007276
"62799"	1924.214071	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M-2H+NH4"	16.019271
"498234"	2878.311471	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M-2H+NH4"	16.019271
"869111"	970.116671	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-2H+NH4"	16.019271
"42845"	1929.169466	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M-2H+Na"	20.974666
"476938"	2883.266866	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M-2H+Na"	20.974666
"863490"	975.072066	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-2H+Na"	20.974666
"1630839"	975.072066	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Na-2H"	20.974666
"107370"	971.078463	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M-H+Cl"	33.962126
"541462"	1448.127163	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M-H+Cl"	33.962126
"932790"	494.029763	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-H+Cl"	33.962126
"280097"	1943.164202	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+Cl"	34.969402
"672520"	2897.261602	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+Cl"	34.969402
"1284200"	989.066802	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Cl"	34.969402
"27489"	1945.143406	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M-2H+K"	36.948606
"467782"	2899.240806	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M-2H+K"	36.948606
"843759"	991.046006	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-2H+K"	36.948606
"1563966"	991.046006	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+K-2H"	36.948606
"955131"	999.095594	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-H+HCOOH"	44.998194
"373348"	1953.193001	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+HCOOH-H"	44.998201
"357230"	1967.208651	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+Hac-H"	59.013851
"1503514"	1013.111251	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Hac-H"	59.013851
"969233"	1021.077551	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-H+NaCOOH"	66.980151
"120689"	989.066802	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+2Cl"	69.938804
"558790"	1466.115502	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+2Cl"	69.938804
"1033059"	512.018102	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2Cl"	69.938804
"1251180"	1033.016285	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Br"	78.918885
"1312900"	1035.072272	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Cl+HCOOH"	80.974872
"1327479"	1057.054229	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Cl+NaCOOH"	102.956829
"918172"	1067.082986	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M-H+CF3COOH"	112.985586
"1302539"	1103.059664	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Cl+CF3COOH"	148.962264
"1378515"	919.084724	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H-2H2O"	-35.012676
"1391636"	937.0947	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H-H2O"	-17.0027
"290228"	1909.202076	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+H"	1.007276
"681556"	2863.299476	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+H"	1.007276
"1354622"	955.104676	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H"	1.007276
"129699"	955.104676	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+2H"	2.014552
"567189"	1432.153376	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+2H"	2.014552
"1038786"	478.055976	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2H"	2.014552
"211426"	637.072209333333	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+3H"	3.021828
"652080"	955.104676	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+3H"	3.021828
"1171299"	319.039742666667	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+3H"	3.021828
"432383"	1926.228623	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+NH4"	18.033823
"794472"	2880.326023	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+NH4"	18.033823
"1691897"	972.131223	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+NH4"	18.033823
"339081"	963.6179495	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+H+NH4"	19.041099
"731503"	1440.6666495	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+H+NH4"	19.041099
"1484227"	486.5692495	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H+NH4"	19.041099
"408393"	1931.184018	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+Na"	22.989218
"769632"	2885.281418	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+Na"	22.989218
"1616755"	977.086618	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Na"	22.989218
"329342"	966.095647	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+H+Na"	23.996494
"720666"	1443.144347	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+H+Na"	23.996494
"1471569"	489.046947	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H+Na"	23.996494
"1064819"	326.367056666667	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2H+Na"	25.00377
"1269778"	987.130886	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+CH3OH+H"	33.033486
"392651"	1947.157958	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+K"	38.963158
"748255"	2901.255358	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+K"	38.963158
"1553222"	993.060558	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+K"	38.963158
"308577"	974.082617	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+H+K"	39.970434
"704281"	1451.131317	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+H+K"	39.970434
"1459196"	497.033917	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H+K"	39.970434
"247795"	1950.228626	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+ACN+H"	42.033826
"1222694"	996.131226	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+ACN+H"	42.033826
"1209575"	498.569251	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+ACN+2H"	43.041102
"200539"	1953.16596	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+2Na-H"	44.97116
"636819"	2907.26336	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+2Na-H"	44.97116
"1139232"	999.06856	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2Na-H"	44.97116
"182523"	977.086618	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+2Na"	45.978436
"622086"	1454.135318	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+2Na"	45.978436
"1124498"	500.037918	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2Na"	45.978436
"1405835"	333.694370666667	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H+2Na"	46.985712
"1437951"	1001.110146	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H+HCOOH"	47.012746
"229833"	982.11964	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+3H2O+2H"	56.04448
"1516801"	1015.16219	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+IsoProp+H"	61.06479
"409561"	985.073588	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+Na+K"	61.952376
"771650"	1462.122288	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+Na+K"	61.952376
"1671992"	508.024888	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Na+K"	61.952376
"255232"	1972.210568	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+ACN+Na"	64.015768
"1227940"	1018.113168	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+ACN+Na"	64.015768
"1717556"	1018.136693	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+NH4+HCOOH"	64.039293
"1184008"	341.021684666667	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+3Na"	68.967654
"1659378"	1023.092088	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Na+HCOOH"	68.994688
"164052"	1985.11384	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+2K-H"	76.91904
"602880"	2939.21124	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+2K-H"	76.91904
"1096872"	1031.01644	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2K-H"	76.91904
"153688"	993.060558	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"2M+2K"	77.926316
"596576"	1470.109258	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"3M+2K"	77.926316
"1083486"	516.011858	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2K"	77.926316
"1114621"	1033.030992	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2K+H"	78.933592
"1348450"	1033.118607	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+DMSO+H"	79.021207
"1016983"	1037.157776	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2ACN+H"	83.060376
"1537296"	1038.151408	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+IsoProp+Na+H"	84.054008
"1004472"	519.082526	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+2ACN+2H"	84.067652
"1598246"	1039.066028	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+K+HCOOH"	84.968628
"1427186"	1069.097538	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+H+CF3COOH"	115.000138
"1160754"	539.595801	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+3ACN+2H"	125.094202
"1705931"	1086.124085	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+NH4+CF3COOH"	132.026685
"1645956"	1091.07948	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+Na+CF3COOH"	136.98208
"1581607"	1107.05342	"C10232"	"Isoterchebin;Trapain"	"C41H30O27"	"954.0974"	"M+K+CF3COOH"	152.95602
"811972"	740.1741	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M"	0
"986235"	721.15571	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-H2O-H"	-19.01839
"75940"	492.442124	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M-3H"	-3.021828
"515500"	739.166824	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M-3H"	-3.021828
"890021"	245.717424	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-3H"	-3.021828
"13698"	739.166824	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M-2H"	-2.014552
"451436"	1109.253874	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M-2H"	-2.014552
"827052"	369.079774	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-2H"	-2.014552
"80483"	1479.340924	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M-H"	-1.007276
"520405"	2219.515024	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M-H"	-1.007276
"897114"	739.166824	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-H"	-1.007276
"48573"	1496.367471	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M-2H+NH4"	16.019271
"490322"	2236.541571	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M-2H+NH4"	16.019271
"867398"	756.193371	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-2H+NH4"	16.019271
"40768"	1501.322866	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M-2H+Na"	20.974666
"477048"	2241.496966	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M-2H+Na"	20.974666
"864117"	761.148766	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-2H+Na"	20.974666
"1628762"	761.148766	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Na-2H"	20.974666
"105291"	757.155163	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M-H+Cl"	33.962126
"541572"	1127.242213	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M-H+Cl"	33.962126
"929620"	387.068113	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-H+Cl"	33.962126
"278750"	1515.317602	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+Cl"	34.969402
"672997"	2255.491702	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+Cl"	34.969402
"1284674"	775.143502	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Cl"	34.969402
"28326"	1517.296806	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M-2H+K"	36.948606
"469714"	2257.470906	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M-2H+K"	36.948606
"846055"	777.122706	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-2H+K"	36.948606
"1566262"	777.122706	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+K-2H"	36.948606
"957064"	785.172294	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-H+HCOOH"	44.998194
"375282"	1525.346401	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+HCOOH-H"	44.998201
"357338"	1539.362051	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+Hac-H"	59.013851
"1501797"	799.187951	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Hac-H"	59.013851
"968245"	807.154251	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-H+NaCOOH"	66.980151
"122987"	775.143502	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+2Cl"	69.938804
"557805"	1145.230552	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+2Cl"	69.938804
"1030616"	405.056452	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2Cl"	69.938804
"1253111"	819.092985	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Br"	78.918885
"1314103"	821.148972	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Cl+HCOOH"	80.974872
"1326130"	843.130929	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Cl+NaCOOH"	102.956829
"920467"	853.159686	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M-H+CF3COOH"	112.985586
"1298275"	889.136364	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Cl+CF3COOH"	148.962264
"1375345"	705.161424	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H-2H2O"	-35.012676
"1390653"	723.1714	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H-H2O"	-17.0027
"289244"	1481.355476	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+H"	1.007276
"678385"	2221.529576	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+H"	1.007276
"1353639"	741.181376	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H"	1.007276
"127254"	741.181376	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+2H"	2.014552
"567178"	1111.268426	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+2H"	2.014552
"1038165"	371.094326	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2H"	2.014552
"205701"	494.456676	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+3H"	3.021828
"650003"	741.181376	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+3H"	3.021828
"1169221"	247.731976	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+3H"	3.021828
"429212"	1498.382023	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+NH4"	18.033823
"788384"	2238.556123	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+NH4"	18.033823
"1683620"	758.207923	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+NH4"	18.033823
"333722"	749.6946495	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+H+NH4"	19.041099
"727237"	1119.7816995	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+H+NH4"	19.041099
"1478140"	379.6075995	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H+NH4"	19.041099
"407402"	1503.337418	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+Na"	22.989218
"769823"	2243.511518	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+Na"	22.989218
"1617959"	763.163318	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Na"	22.989218
"329576"	752.172347	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+H+Na"	23.996494
"720655"	1122.259397	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+H+Na"	23.996494
"1472775"	382.085297	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H+Na"	23.996494
"1068445"	255.05929	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2H+Na"	25.00377
"1272647"	773.207586	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+CH3OH+H"	33.033486
"389193"	1519.311358	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+K"	38.963158
"749458"	2259.485458	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+K"	38.963158
"1553698"	779.137258	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+K"	38.963158
"311239"	760.159317	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+H+K"	39.970434
"702570"	1130.246367	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+H+K"	39.970434
"1459671"	390.072267	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H+K"	39.970434
"247905"	1522.382026	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+ACN+H"	42.033826
"1220617"	782.207926	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+ACN+H"	42.033826
"1208997"	391.607601	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+ACN+2H"	43.041102
"199555"	1525.31936	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+2Na-H"	44.97116
"635836"	2265.49346	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+2Na-H"	44.97116
"1139342"	785.14526	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2Na-H"	44.97116
"181540"	763.163318	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+2Na"	45.978436
"617823"	1133.250368	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+2Na"	45.978436
"1124608"	393.076268	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2Na"	45.978436
"1405945"	262.386604	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H+2Na"	46.985712
"1436968"	787.186846	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H+HCOOH"	47.012746
"222290"	768.19634	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+3H2O+2H"	56.04448
"1516911"	801.23889	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+IsoProp+H"	61.06479
"410034"	771.150288	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+Na+K"	61.952376
"771393"	1141.237338	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+Na+K"	61.952376
"1669915"	401.063238	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Na+K"	61.952376
"253515"	1544.363968	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+ACN+Na"	64.015768
"1226955"	804.189868	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+ACN+Na"	64.015768
"1714750"	804.213393	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+NH4+HCOOH"	64.039293
"1181565"	269.713918	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+3Na"	68.967654
"1659487"	809.168788	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Na+HCOOH"	68.994688
"169629"	1557.26724	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+2K-H"	76.91904
"605908"	2297.44134	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+2K-H"	76.91904
"1096982"	817.09314	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2K-H"	76.91904
"152705"	779.137258	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"2M+2K"	77.926316
"596645"	1149.224308	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"3M+2K"	77.926316
"1083302"	409.050208	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2K"	77.926316
"1115555"	819.107692	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2K+H"	78.933592
"1347467"	819.195307	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+DMSO+H"	79.021207
"1020376"	823.234476	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2ACN+H"	83.060376
"1539473"	824.228108	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+IsoProp+Na+H"	84.054008
"1004703"	412.120876	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+2ACN+2H"	84.067652
"1600543"	825.142728	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+K+HCOOH"	84.968628
"1427296"	855.174238	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+H+CF3COOH"	115.000138
"1160865"	432.634151	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+3ACN+2H"	125.094202
"1706041"	872.200785	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+NH4+CF3COOH"	132.026685
"1646066"	877.15618	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+Na+CF3COOH"	136.98208
"1581717"	893.13012	"C10233"	"Kandelin A-1;Cinchonain-1a-(4beta-8)-catechin"	"C39H32O15"	"740.1741"	"M+K+CF3COOH"	152.95602
"814270"	528.142	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M"	0
"987802"	509.12361	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-H2O-H"	-19.01839
"76050"	351.087390666667	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M-3H"	-3.021828
"516339"	527.134724	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M-3H"	-3.021828
"892319"	175.040057333333	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-3H"	-3.021828
"9799"	527.134724	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M-2H"	-2.014552
"450452"	791.205724	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M-2H"	-2.014552
"826067"	263.063724	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-2H"	-2.014552
"80593"	1055.276724	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M-H"	-1.007276
"522341"	1583.418724	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M-H"	-1.007276
"899411"	527.134724	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-H"	-1.007276
"51602"	1072.303271	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M-2H+NH4"	16.019271
"489703"	1600.445271	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M-2H+NH4"	16.019271
"866779"	544.161271	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-2H+NH4"	16.019271
"38692"	1077.258666	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M-2H+Na"	20.974666
"479345"	1605.400666	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M-2H+Na"	20.974666
"862619"	549.116666	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-2H+Na"	20.974666
"1632882"	549.116666	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Na-2H"	20.974666
"101028"	545.123063	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M-H+Cl"	33.962126
"535485"	809.194063	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M-H+Cl"	33.962126
"929729"	281.052063	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-H+Cl"	33.962126
"277037"	1091.253402	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+Cl"	34.969402
"668365"	1619.395402	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+Cl"	34.969402
"1284784"	563.111402	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Cl"	34.969402
"28436"	1093.232606	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M-2H+K"	36.948606
"470917"	1621.374606	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M-2H+K"	36.948606
"846165"	565.090606	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-2H+K"	36.948606
"1570382"	565.090606	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+K-2H"	36.948606
"957176"	573.140194	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-H+HCOOH"	44.998194
"374298"	1101.282201	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+HCOOH-H"	44.998201
"357448"	1115.297851	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+Hac-H"	59.013851
"1504823"	587.155851	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Hac-H"	59.013851
"968355"	595.122151	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-H+NaCOOH"	66.980151
"121275"	563.111402	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+2Cl"	69.938804
"561196"	827.182402	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+2Cl"	69.938804
"1031090"	299.040402	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2Cl"	69.938804
"1250668"	607.060885	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Br"	78.918885
"1315308"	609.116872	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Cl+HCOOH"	80.974872
"1328427"	631.098829	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Cl+NaCOOH"	102.956829
"918392"	641.127586	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M-H+CF3COOH"	112.985586
"1297290"	677.104264	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Cl+CF3COOH"	148.962264
"1374360"	493.129324	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H-2H2O"	-35.012676
"1390762"	511.1393	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H-H2O"	-17.0027
"287167"	1057.291276	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+H"	1.007276
"682867"	1585.433276	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+H"	1.007276
"1353749"	529.149276	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H"	1.007276
"126146"	529.149276	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+2H"	2.014552
"567290"	793.220276	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+2H"	2.014552
"1038275"	265.078276	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2H"	2.014552
"205083"	353.101942666667	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+3H"	3.021828
"649019"	529.149276	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+3H"	3.021828
"1163862"	177.054609333333	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+3H"	3.021828
"425675"	1074.317823	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+NH4"	18.033823
"787035"	1602.459823	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+NH4"	18.033823
"1682998"	546.175823	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+NH4"	18.033823
"331640"	537.6625495	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+H+NH4"	19.041099
"725160"	801.7335495	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+H+NH4"	19.041099
"1477434"	273.5915495	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H+NH4"	19.041099
"407148"	1079.273218	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+Na"	22.989218
"769734"	1607.415218	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+Na"	22.989218
"1616976"	551.131218	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Na"	22.989218
"328715"	540.140247	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+H+Na"	23.996494
"719433"	804.211247	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+H+Na"	23.996494
"1475441"	276.069247	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H+Na"	23.996494
"1067965"	184.381923333333	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2H+Na"	25.00377
"1270365"	561.175486	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+CH3OH+H"	33.033486
"392797"	1095.247158	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+K"	38.963158
"753988"	1623.389158	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+K"	38.963158
"1555543"	567.105158	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+K"	38.963158
"312079"	548.127217	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+H+K"	39.970434
"703408"	812.198217	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+H+K"	39.970434
"1460509"	284.056217	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H+K"	39.970434
"249109"	1098.317826	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+ACN+H"	42.033826
"1220728"	570.175826	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+ACN+H"	42.033826
"1206434"	285.591551	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+ACN+2H"	43.041102
"200760"	1101.25516	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+2Na-H"	44.97116
"634853"	1629.39716	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+2Na-H"	44.97116
"1141640"	573.11316	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2Na-H"	44.97116
"184566"	551.131218	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+2Na"	45.978436
"623036"	815.202218	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+2Na"	45.978436
"1127270"	287.060218	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2Na"	45.978436
"1408243"	191.709237333333	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H+2Na"	46.985712
"1438901"	575.154746	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H+HCOOH"	47.012746
"222400"	556.16424	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+3H2O+2H"	56.04448
"1518115"	589.20679	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+IsoProp+H"	61.06479
"409417"	559.118188	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+Na+K"	61.952376
"776611"	823.189188	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+Na+K"	61.952376
"1669662"	295.047188	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Na+K"	61.952376
"253630"	1120.299768	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+ACN+Na"	64.015768
"1227066"	592.157768	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+ACN+Na"	64.015768
"1713886"	592.181293	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+NH4+HCOOH"	64.039293
"1180582"	199.036551333333	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+3Na"	68.967654
"1661785"	597.136688	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Na+HCOOH"	68.994688
"172049"	1133.20304	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+2K-H"	76.91904
"608204"	1661.34504	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+2K-H"	76.91904
"1094905"	605.06104	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2K-H"	76.91904
"151721"	567.105158	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"2M+2K"	77.926316
"596388"	831.176158	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"3M+2K"	77.926316
"1081262"	303.034158	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2K"	77.926316
"1114352"	607.075592	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2K+H"	78.933592
"1348670"	607.163207	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+DMSO+H"	79.021207
"1013918"	611.202376	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2ACN+H"	83.060376
"1533142"	612.196008	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+IsoProp+Na+H"	84.054008
"1004694"	306.104826	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+2ACN+2H"	84.067652
"1598467"	613.110628	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+K+HCOOH"	84.968628
"1426313"	643.142138	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+H+CF3COOH"	115.000138
"1159883"	326.618101	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+3ACN+2H"	125.094202
"1706152"	660.168685	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+NH4+CF3COOH"	132.026685
"1646177"	665.12408	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+Na+CF3COOH"	136.98208
"1581827"	681.09802	"C10234"	"Mahuannin D;ent-Apigeniflavan-(2alpha-74alpha-8)-epiafzelechin"	"C30H24O9"	"528.142"	"M+K+CF3COOH"	152.95602
"808912"	1120.0877	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M"	0
"982444"	1101.06931	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-H2O-H"	-19.01839
"75064"	745.717857333333	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M-3H"	-3.021828
"517541"	1119.080424	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M-3H"	-3.021828
"892429"	372.355290666667	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-3H"	-3.021828
"11002"	1119.080424	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M-2H"	-2.014552
"450562"	1679.124274	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M-2H"	-2.014552
"827270"	559.036574	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-2H"	-2.014552
"80703"	2239.168124	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M-H"	-1.007276
"521358"	3359.255824	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M-H"	-1.007276
"899157"	1119.080424	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-H"	-1.007276
"50255"	2256.194671	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M-2H+NH4"	16.019271
"490178"	3376.282371	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M-2H+NH4"	16.019271
"866161"	1136.106971	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-2H+NH4"	16.019271
"38802"	2261.150066	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M-2H+Na"	20.974666
"479455"	3381.237766	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M-2H+Na"	20.974666
"863092"	1141.062366	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-2H+Na"	20.974666
"1631055"	1141.062366	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Na-2H"	20.974666
"104418"	1137.068763	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M-H+Cl"	33.962126
"541791"	1697.112613	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M-H+Cl"	33.962126
"929839"	577.024913	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-H+Cl"	33.962126
"278608"	2275.144802	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+Cl"	34.969402
"671755"	3395.232502	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+Cl"	34.969402
"1283437"	1155.057102	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Cl"	34.969402
"30369"	2277.124006	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M-2H+K"	36.948606
"471274"	3397.211706	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M-2H+K"	36.948606
"847368"	1157.036306	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-2H+K"	36.948606
"1565388"	1157.036306	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+K-2H"	36.948606
"957530"	1165.085894	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-H+HCOOH"	44.998194
"375500"	2285.173601	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+HCOOH-H"	44.998201
"356101"	2299.189251	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+Hac-H"	59.013851
"1504204"	1179.101551	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Hac-H"	59.013851
"969194"	1187.067851	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-H+NaCOOH"	66.980151
"122841"	1155.057102	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+2Cl"	69.938804
"556932"	1715.100952	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+2Cl"	69.938804
"1030836"	595.013252	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2Cl"	69.938804
"1250778"	1199.006585	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Br"	78.918885
"1317240"	1201.062572	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Cl+HCOOH"	80.974872
"1330724"	1223.044529	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Cl+NaCOOH"	102.956829
"919595"	1233.073286	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M-H+CF3COOH"	112.985586
"1299589"	1269.049964	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Cl+CF3COOH"	148.962264
"1376658"	1085.075024	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H-2H2O"	-35.012676
"1393058"	1103.085	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H-H2O"	-17.0027
"289464"	2241.182676	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+H"	1.007276
"684070"	3361.270376	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+H"	1.007276
"1353859"	1121.094976	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H"	1.007276
"127842"	1121.094976	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+2H"	2.014552
"570681"	1681.138826	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+2H"	2.014552
"1040573"	561.051126	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2H"	2.014552
"205800"	747.732409333333	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+3H"	3.021828
"649129"	1121.094976	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+3H"	3.021828
"1164941"	374.369842666667	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+3H"	3.021828
"426513"	2258.209223	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+NH4"	18.033823
"787145"	3378.296923	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+NH4"	18.033823
"1683471"	1138.121523	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+NH4"	18.033823
"331750"	1129.6082495	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+H+NH4"	19.041099
"726727"	1689.6520995	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+H+NH4"	19.041099
"1478722"	569.5643995	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H+NH4"	19.041099
"401060"	2263.164618	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+Na"	22.989218
"769237"	3383.252318	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+Na"	22.989218
"1617575"	1143.076918	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Na"	22.989218
"329073"	1132.085947	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+H+Na"	23.996494
"719178"	1692.129797	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+H+Na"	23.996494
"1475555"	572.042097	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H+Na"	23.996494
"1068242"	381.697156666667	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2H+Na"	25.00377
"1272512"	1153.121186	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+CH3OH+H"	33.033486
"391977"	2279.138558	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+K"	38.963158
"753699"	3399.226258	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+K"	38.963158
"1554776"	1159.050858	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+K"	38.963158
"311829"	1140.072917	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+H+K"	39.970434
"704249"	1700.116767	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+H+K"	39.970434
"1459533"	580.029067	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H+K"	39.970434
"249222"	2282.209226	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+ACN+H"	42.033826
"1223026"	1162.121526	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+ACN+H"	42.033826
"1204722"	581.564401	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+ACN+2H"	43.041102
"198684"	2285.14656	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+2Na-H"	44.97116
"636057"	3405.23426	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+2Na-H"	44.97116
"1141749"	1165.05886	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2Na-H"	44.97116
"183947"	1143.076918	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+2Na"	45.978436
"625696"	1703.120768	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+2Na"	45.978436
"1127746"	583.033068	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2Na"	45.978436
"1408718"	389.024470666667	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H+2Na"	46.985712
"1441560"	1167.100446	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H+HCOOH"	47.012746
"226884"	1148.10994	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+3H2O+2H"	56.04448
"1514944"	1181.15249	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+IsoProp+H"	61.06479
"409526"	1151.063888	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+Na+K"	61.952376
"772348"	1711.107738	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+Na+K"	61.952376
"1666854"	591.020038	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Na+K"	61.952376
"257386"	2304.191168	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+ACN+Na"	64.015768
"1226163"	1184.103468	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+ACN+Na"	64.015768
"1714239"	1184.126993	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+NH4+HCOOH"	64.039293
"1179964"	396.351784666667	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+3Na"	68.967654
"1663960"	1189.082388	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Na+HCOOH"	68.994688
"172688"	2317.09444	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+2K-H"	76.91904
"607221"	3437.18214	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+2K-H"	76.91904
"1099355"	1197.00674	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2K-H"	76.91904
"149644"	1159.050858	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"2M+2K"	77.926316
"596624"	1719.094708	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"3M+2K"	77.926316
"1081372"	599.007008	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2K"	77.926316
"1114827"	1199.021292	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2K+H"	78.933592
"1347686"	1199.108907	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+DMSO+H"	79.021207
"1014028"	1203.148076	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2ACN+H"	83.060376
"1535440"	1204.141708	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+IsoProp+Na+H"	84.054008
"1004803"	602.077676	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+2ACN+2H"	84.067652
"1598577"	1205.056328	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+K+HCOOH"	84.968628
"1426062"	1235.087838	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+H+CF3COOH"	115.000138
"1161331"	622.590951	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+3ACN+2H"	125.094202
"1708449"	1252.114385	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+NH4+CF3COOH"	132.026685
"1646287"	1257.06978	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+Na+CF3COOH"	136.98208
"1581937"	1273.04372	"C10235"	"Mallotusinic acid"	"C48H32O32"	"1120.0877"	"M+K+CF3COOH"	152.95602
"809022"	784.0759	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M"	0
"982554"	765.05751	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-H2O-H"	-19.01839
"75175"	521.709990666667	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M-3H"	-3.021828
"511454"	783.068624	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M-3H"	-3.021828
"890351"	260.351357333333	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-3H"	-3.021828
"7832"	783.068624	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M-2H"	-2.014552
"448485"	1175.106574	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M-2H"	-2.014552
"827380"	391.030674	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-2H"	-2.014552
"89558"	1567.144524	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M-H"	-1.007276
"523654"	2351.220424	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M-H"	-1.007276
"899632"	783.068624	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-H"	-1.007276
"51458"	1584.171071	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M-2H+NH4"	16.019271
"491381"	2368.246971	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M-2H+NH4"	16.019271
"866999"	800.095171	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-2H+NH4"	16.019271
"38912"	1589.126466	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M-2H+Na"	20.974666
"479565"	2373.202366	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M-2H+Na"	20.974666
"863445"	805.050566	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-2H+Na"	20.974666
"1633104"	805.050566	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Na-2H"	20.974666
"107807"	801.056963	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M-H+Cl"	33.962126
"541901"	1193.094913	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M-H+Cl"	33.962126
"932135"	409.019013	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-H+Cl"	33.962126
"278358"	1603.121202	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+Cl"	34.969402
"671873"	2387.197102	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+Cl"	34.969402
"1282818"	819.045302	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Cl"	34.969402
"30237"	1605.100406	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M-2H+K"	36.948606
"470651"	2389.176306	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M-2H+K"	36.948606
"842009"	821.024506	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-2H+K"	36.948606
"1566590"	821.024506	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+K-2H"	36.948606
"955210"	829.074094	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-H+HCOOH"	44.998194
"375609"	1613.150001	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+HCOOH-H"	44.998201
"356574"	1627.165651	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+Hac-H"	59.013851
"1503949"	843.089751	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Hac-H"	59.013851
"969668"	851.056051	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-H+NaCOOH"	66.980151
"121858"	819.045302	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+2Cl"	69.938804
"559228"	1211.083252	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+2Cl"	69.938804
"1032039"	427.007352	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2Cl"	69.938804
"1250887"	862.994785	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Br"	78.918885
"1316620"	865.050772	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Cl+HCOOH"	80.974872
"1328647"	887.032729	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Cl+NaCOOH"	102.956829
"921891"	897.061486	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M-H+CF3COOH"	112.985586
"1294230"	933.038164	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Cl+CF3COOH"	148.962264
"1373485"	749.063224	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H-2H2O"	-35.012676
"1386971"	767.0732	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H-H2O"	-17.0027
"287387"	1569.159076	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+H"	1.007276
"680900"	2353.234976	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+H"	1.007276
"1354333"	785.083176	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H"	1.007276
"127949"	785.083176	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+2H"	2.014552
"570789"	1177.121126	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+2H"	2.014552
"1038494"	393.045226	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2H"	2.014552
"205662"	523.724542666667	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+3H"	3.021828
"646684"	785.083176	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+3H"	3.021828
"1165534"	262.365909333333	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+3H"	3.021828
"427711"	1586.185623	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+NH4"	18.033823
"788338"	2370.261523	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+NH4"	18.033823
"1686128"	802.109723	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+NH4"	18.033823
"332222"	793.5964495	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+H+NH4"	19.041099
"726473"	1185.6343995	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+H+NH4"	19.041099
"1477263"	401.5584995	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H+NH4"	19.041099
"404451"	1591.141018	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+Na"	22.989218
"769472"	2375.216918	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+Na"	22.989218
"1617812"	807.065118	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Na"	22.989218
"329306"	796.074147	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+H+Na"	23.996494
"722209"	1188.112097	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+H+Na"	23.996494
"1476153"	404.036197	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H+Na"	23.996494
"1067665"	269.693223333333	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2H+Na"	25.00377
"1272057"	817.109386	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+CH3OH+H"	33.033486
"392250"	1607.114958	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+K"	38.963158
"753649"	2391.190858	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+K"	38.963158
"1554523"	823.039058	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+K"	38.963158
"313890"	804.061117	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+H+K"	39.970434
"704724"	1196.099067	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+H+K"	39.970434
"1460899"	412.023167	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H+K"	39.970434
"249331"	1610.185626	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+ACN+H"	42.033826
"1219856"	826.109726	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+ACN+H"	42.033826
"1208478"	413.558501	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+ACN+2H"	43.041102
"198795"	1613.12296	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+2Na-H"	44.97116
"637262"	2397.19886	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+2Na-H"	44.97116
"1141860"	829.04706	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2Na-H"	44.97116
"184057"	807.065118	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+2Na"	45.978436
"624713"	1199.103068	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+2Na"	45.978436
"1129313"	415.027168	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2Na"	45.978436
"1409555"	277.020537333333	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H+2Na"	46.985712
"1438389"	831.088646	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H+HCOOH"	47.012746
"228088"	812.09814	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+3H2O+2H"	56.04448
"1518335"	845.14069	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+IsoProp+H"	61.06479
"413648"	815.052088	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+Na+K"	61.952376
"772093"	1207.090038	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+Na+K"	61.952376
"1667328"	423.014138	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Na+K"	61.952376
"256403"	1632.167568	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+ACN+Na"	64.015768
"1226197"	848.091668	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+ACN+Na"	64.015768
"1713620"	848.115193	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+NH4+HCOOH"	64.039293
"1183355"	284.347851333333	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+3Na"	68.967654
"1664928"	853.070588	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Na+HCOOH"	68.994688
"172275"	1645.07084	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+2K-H"	76.91904
"612071"	2429.14674	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+2K-H"	76.91904
"1099501"	860.99494	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2K-H"	76.91904
"154128"	823.039058	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"2M+2K"	77.926316
"596572"	1215.077008	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"3M+2K"	77.926316
"1082455"	431.001108	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2K"	77.926316
"1115181"	863.009492	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2K+H"	78.933592
"1347796"	863.097107	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+DMSO+H"	79.021207
"1016323"	867.136276	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2ACN+H"	83.060376
"1536644"	868.129908	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+IsoProp+Na+H"	84.054008
"1004915"	434.071776	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+2ACN+2H"	84.067652
"1597594"	869.044528	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+K+HCOOH"	84.968628
"1425444"	899.076038	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+H+CF3COOH"	115.000138
"1161197"	454.585051	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+3ACN+2H"	125.094202
"1708559"	916.102585	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+NH4+CF3COOH"	132.026685
"1646397"	921.05798	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+Na+CF3COOH"	136.98208
"1582047"	937.03192	"C10236"	"Pedunculagin"	"C34H24O22"	"784.0759"	"M+K+CF3COOH"	152.95602
"803664"	576.1268	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M"	0
"976464"	557.10841	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-H2O-H"	-19.01839
"75285"	383.077257333333	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M-3H"	-3.021828
"512657"	575.119524	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M-3H"	-3.021828
"891555"	191.034990666667	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-3H"	-3.021828
"11222"	575.119524	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M-2H"	-2.014552
"451875"	863.182924	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M-2H"	-2.014552
"829676"	287.056124	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-2H"	-2.014552
"88575"	1151.246324	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M-H"	-1.007276
"524859"	1727.373124	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M-H"	-1.007276
"907033"	575.119524	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-H"	-1.007276
"52661"	1168.272871	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M-2H+NH4"	16.019271
"490398"	1744.399671	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M-2H+NH4"	16.019271
"867475"	592.146071	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-2H+NH4"	16.019271
"39022"	1173.228266	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M-2H+Na"	20.974666
"479675"	1749.355066	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M-2H+Na"	20.974666
"863555"	597.101466	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-2H+Na"	20.974666
"1633339"	597.101466	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Na-2H"	20.974666
"104638"	593.107863	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M-H+Cl"	33.962126
"545291"	881.171263	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M-H+Cl"	33.962126
"940993"	305.044463	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-H+Cl"	33.962126
"278464"	1187.223002	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+Cl"	34.969402
"670883"	1763.349802	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+Cl"	34.969402
"1280010"	611.096202	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Cl"	34.969402
"26215"	1189.202206	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M-2H+K"	36.948606
"471126"	1765.329006	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M-2H+K"	36.948606
"846867"	613.075406	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-2H+K"	36.948606
"1570352"	613.075406	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+K-2H"	36.948606
"957143"	621.124994	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-H+HCOOH"	44.998194
"373899"	1197.251801	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+HCOOH-H"	44.998201
"359239"	1211.267451	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+Hac-H"	59.013851
"1505518"	635.140651	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Hac-H"	59.013851
"971605"	643.106951	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-H+NaCOOH"	66.980151
"122697"	611.096202	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+2Cl"	69.938804
"559704"	899.159602	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+2Cl"	69.938804
"1034338"	323.032802	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2Cl"	69.938804
"1253917"	655.045685	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Br"	78.918885
"1317825"	657.101672	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Cl+HCOOH"	80.974872
"1330945"	679.083629	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Cl+NaCOOH"	102.956829
"920909"	689.112386	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M-H+CF3COOH"	112.985586
"1297621"	725.089064	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Cl+CF3COOH"	148.962264
"1379065"	541.114124	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H-2H2O"	-35.012676
"1390000"	559.1241	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H-H2O"	-17.0027
"294059"	1153.260876	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+H"	1.007276
"690127"	1729.387676	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+H"	1.007276
"1360643"	577.134076	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H"	1.007276
"132437"	577.134076	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+2H"	2.014552
"568717"	865.197476	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+2H"	2.014552
"1039702"	289.070676	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2H"	2.014552
"206873"	385.091809333333	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+3H"	3.021828
"645459"	577.134076	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+3H"	3.021828
"1167473"	193.049542666667	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+3H"	3.021828
"427096"	1170.287423	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+NH4"	18.033823
"788089"	1746.414223	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+NH4"	18.033823
"1683690"	594.160623	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+NH4"	18.033823
"331604"	585.6473495	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+H+NH4"	19.041099
"724394"	873.7107495	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+H+NH4"	19.041099
"1479308"	297.5839495	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H+NH4"	19.041099
"399094"	1175.242818	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+Na"	22.989218
"769919"	1751.369618	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+Na"	22.989218
"1618202"	599.116018	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Na"	22.989218
"329045"	588.125047	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+H+Na"	23.996494
"721340"	876.188447	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+H+Na"	23.996494
"1476824"	300.061647	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H+Na"	23.996494
"1067970"	200.376856666667	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2H+Na"	25.00377
"1272492"	609.160286	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+CH3OH+H"	33.033486
"392558"	1191.216758	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+K"	38.963158
"752824"	1767.343558	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+K"	38.963158
"1553052"	615.089958	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+K"	38.963158
"313145"	596.112017	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+H+K"	39.970434
"697178"	884.175417	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+H+K"	39.970434
"1450269"	308.048617	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H+K"	39.970434
"240694"	1194.287426	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+ACN+H"	42.033826
"1212311"	618.160626	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+ACN+H"	42.033826
"1204942"	309.583951	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+ACN+2H"	43.041102
"191253"	1197.22476	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+2Na-H"	44.97116
"635187"	1773.35156	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+2Na-H"	44.97116
"1136504"	621.09796	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2Na-H"	44.97116
"180887"	599.116018	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+2Na"	45.978436
"622635"	887.179418	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+2Na"	45.978436
"1126141"	311.052618	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2Na"	45.978436
"1403106"	207.704170666667	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H+2Na"	46.985712
"1438500"	623.139546	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H+HCOOH"	47.012746
"226010"	604.14904	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+3H2O+2H"	56.04448
"1519539"	637.19159	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+IsoProp+H"	61.06479
"417036"	607.102988	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+Na+K"	61.952376
"774750"	895.166388	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+Na+K"	61.952376
"1668164"	319.039588	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Na+K"	61.952376
"253717"	1216.269368	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+ACN+Na"	64.015768
"1229221"	640.142568	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+ACN+Na"	64.015768
"1714096"	640.166093	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+NH4+HCOOH"	64.039293
"1182366"	215.031484666667	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+3Na"	68.967654
"1656642"	645.121488	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Na+HCOOH"	68.994688
"170070"	1229.17264	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+2K-H"	76.91904
"609629"	1805.29944	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+2K-H"	76.91904
"1096330"	653.04584	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2K-H"	76.91904
"150958"	615.089958	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"2M+2K"	77.926316
"596597"	903.153358	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"3M+2K"	77.926316
"1081593"	327.026558	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2K"	77.926316
"1114561"	655.060392	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2K+H"	78.933592
"1343532"	655.148007	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+DMSO+H"	79.021207
"1014248"	659.187176	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2ACN+H"	83.060376
"1538212"	660.180808	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+IsoProp+Na+H"	84.054008
"1005024"	330.097226	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+2ACN+2H"	84.067652
"1598798"	661.095428	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+K+HCOOH"	84.968628
"1428107"	691.126938	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+H+CF3COOH"	115.000138
"1161671"	350.610501	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+3ACN+2H"	125.094202
"1709762"	708.153485	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+NH4+CF3COOH"	132.026685
"1645414"	713.10888	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+Na+CF3COOH"	136.98208
"1582157"	729.08282	"C10237"	"Proanthocyanidin A2;Epicatechin-(2beta-74beta-8)-epicatechin"	"C30H24O12"	"576.1268"	"M+K+CF3COOH"	152.95602
"803045"	578.1424	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M"	0
"974353"	559.12401	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-H2O-H"	-19.01839
"65916"	384.420990666667	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M-3H"	-3.021828
"504380"	577.135124	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M-3H"	-3.021828
"880313"	191.706857333333	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-3H"	-3.021828
"2944"	577.135124	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H"	-2.014552
"440191"	866.206324	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H"	-2.014552
"819577"	288.063924	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-2H"	-2.014552
"79568"	1155.277524	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M-H"	-1.007276
"526062"	1733.419924	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M-H"	-1.007276
"903863"	577.135124	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-H"	-1.007276
"51678"	1172.304071	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H+NH4"	16.019271
"493424"	1750.446471	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H+NH4"	16.019271
"869408"	594.161671	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-2H+NH4"	16.019271
"32927"	1177.259466	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H+Na"	20.974666
"477598"	1755.401866	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H+Na"	20.974666
"854307"	599.117066	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-2H+Na"	20.974666
"1629311"	599.117066	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Na-2H"	20.974666
"103655"	595.123463	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M-H+Cl"	33.962126
"544308"	884.194663	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M-H+Cl"	33.962126
"938916"	306.052263	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-H+Cl"	33.962126
"278570"	1191.254202	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+Cl"	34.969402
"672085"	1769.396602	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+Cl"	34.969402
"1277929"	613.111802	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl"	34.969402
"24860"	1193.233406	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M-2H+K"	36.948606
"460048"	1771.375806	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M-2H+K"	36.948606
"848070"	615.091006	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-2H+K"	36.948606
"1569737"	615.091006	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+K-2H"	36.948606
"957619"	623.140594	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-H+HCOOH"	44.998194
"375468"	1201.283001	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+HCOOH-H"	44.998201
"360321"	1215.298651	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+Hac-H"	59.013851
"1503440"	637.156251	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Hac-H"	59.013851
"972076"	645.122551	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-H+NaCOOH"	66.980151
"123170"	613.111802	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+2Cl"	69.938804
"559449"	902.183002	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+2Cl"	69.938804
"1034084"	324.040602	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2Cl"	69.938804
"1253300"	657.061285	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Br"	78.918885
"1316842"	659.117272	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl+HCOOH"	80.974872
"1331784"	681.099229	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl+NaCOOH"	102.956829
"922113"	691.127986	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M-H+CF3COOH"	112.985586
"1297731"	727.104664	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Cl+CF3COOH"	148.962264
"1376988"	543.129724	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H-2H2O"	-35.012676
"1390110"	561.1397	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H-H2O"	-17.0027
"287608"	1157.292076	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+H"	1.007276
"682218"	1735.434476	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+H"	1.007276
"1356379"	579.149676	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H"	1.007276
"132547"	579.149676	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+2H"	2.014552
"567003"	868.220876	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+2H"	2.014552
"1039447"	290.078476	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2H"	2.014552
"205403"	386.435542666667	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+3H"	3.021828
"645569"	579.149676	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+3H"	3.021828
"1164303"	193.721409333333	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+3H"	3.021828
"426843"	1174.318623	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+NH4"	18.033823
"786255"	1752.461023	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+NH4"	18.033823
"1682464"	596.176223	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+NH4"	18.033823
"330499"	587.6629495	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+H+NH4"	19.041099
"725599"	876.7341495	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+H+NH4"	19.041099
"1478810"	298.5917495	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H+NH4"	19.041099
"399204"	1179.274018	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+Na"	22.989218
"769909"	1757.416418	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+Na"	22.989218
"1618191"	601.131618	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Na"	22.989218
"329035"	590.140647	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+H+Na"	23.996494
"722425"	879.211847	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+H+Na"	23.996494
"1476446"	301.069447	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H+Na"	23.996494
"1067308"	201.048723333333	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2H+Na"	25.00377
"1269351"	611.175886	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+CH3OH+H"	33.033486
"389021"	1195.247958	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+K"	38.963158
"750015"	1773.390358	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+K"	38.963158
"1553160"	617.105558	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+K"	38.963158
"312520"	598.127617	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+H+K"	39.970434
"696197"	887.198817	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+H+K"	39.970434
"1450017"	309.056417	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H+K"	39.970434
"240807"	1198.318626	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+ACN+H"	42.033826
"1216795"	620.176226	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+ACN+H"	42.033826
"1200677"	310.591751	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+ACN+2H"	43.041102
"190512"	1201.25596	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+2Na-H"	44.97116
"634203"	1779.39836	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+2Na-H"	44.97116
"1138801"	623.11356	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2Na-H"	44.97116
"175650"	601.131618	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+2Na"	45.978436
"621652"	890.202818	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+2Na"	45.978436
"1126251"	312.060418	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2Na"	45.978436
"1406496"	208.376037333333	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H+2Na"	46.985712
"1438610"	625.155146	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H+HCOOH"	47.012746
"225027"	606.16464	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+3H2O+2H"	56.04448
"1520741"	639.20719	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+IsoProp+H"	61.06479
"413866"	609.118588	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+Na+K"	61.952376
"773767"	898.189788	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+Na+K"	61.952376
"1667910"	320.047388	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Na+K"	61.952376
"254191"	1220.300568	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+ACN+Na"	64.015768
"1229328"	642.158168	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+ACN+Na"	64.015768
"1715300"	642.181693	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+NH4+HCOOH"	64.039293
"1181747"	215.703351333333	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+3Na"	68.967654
"1656752"	647.137088	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Na+HCOOH"	68.994688
"169085"	1233.20384	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+2K-H"	76.91904
"609739"	1811.34624	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+2K-H"	76.91904
"1098627"	655.06144	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2K-H"	76.91904
"152161"	617.105558	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"2M+2K"	77.926316
"593907"	906.176758	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"3M+2K"	77.926316
"1082675"	328.034358	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2K"	77.926316
"1115038"	657.075992	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2K+H"	78.933592
"1344735"	657.163607	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+DMSO+H"	79.021207
"1014358"	661.202776	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2ACN+H"	83.060376
"1535771"	662.196408	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+IsoProp+Na+H"	84.054008
"1004284"	331.105026	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+2ACN+2H"	84.067652
"1602189"	663.111028	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+K+HCOOH"	84.968628
"1427848"	693.142538	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+H+CF3COOH"	115.000138
"1162349"	351.618301	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+3ACN+2H"	125.094202
"1709872"	710.169085	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+NH4+CF3COOH"	132.026685
"1646617"	715.12448	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+Na+CF3COOH"	136.98208
"1582267"	731.09842	"C10238"	"Procyanidin B4;Catechin-(4alpha-8)-epicatechin"	"C30H26O12"	"578.1424"	"M+K+CF3COOH"	152.95602
"802791"	866.2058	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M"	0
"975225"	847.18741	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-H2O-H"	-19.01839
"65664"	576.463257333333	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M-3H"	-3.021828
"507410"	865.198524	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M-3H"	-3.021828
"879948"	287.727990666667	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-3H"	-3.021828
"4877"	865.198524	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M-2H"	-2.014552
"440004"	1298.301424	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M-2H"	-2.014552
"817865"	432.095624	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-2H"	-2.014552
"79313"	1731.404324	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M-H"	-1.007276
"525079"	2597.610124	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M-H"	-1.007276
"903973"	865.198524	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-H"	-1.007276
"55068"	1748.430871	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M-2H+NH4"	16.019271
"494627"	2614.636671	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M-2H+NH4"	16.019271
"870247"	882.225071	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-2H+NH4"	16.019271
"32797"	1753.386266	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M-2H+Na"	20.974666
"472603"	2619.592066	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M-2H+Na"	20.974666
"854417"	887.180466	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-2H+Na"	20.974666
"1631607"	887.180466	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Na-2H"	20.974666
"104858"	883.186863	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M-H+Cl"	33.962126
"545511"	1316.289763	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M-H+Cl"	33.962126
"939025"	450.083963	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-H+Cl"	33.962126
"277587"	1767.381002	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+Cl"	34.969402
"670009"	2633.586802	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+Cl"	34.969402
"1280226"	901.175202	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Cl"	34.969402
"22784"	1769.360206	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M-2H+K"	36.948606
"459793"	2635.566006	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M-2H+K"	36.948606
"848020"	903.154406	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-2H+K"	36.948606
"1570861"	903.154406	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+K-2H"	36.948606
"957649"	911.203994	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-H+HCOOH"	44.998194
"376511"	1777.409801	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+HCOOH-H"	44.998201
"360070"	1791.425451	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+Hac-H"	59.013851
"1507196"	925.219651	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Hac-H"	59.013851
"970364"	933.185951	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-H+NaCOOH"	66.980151
"119998"	901.175202	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+2Cl"	69.938804
"559559"	1334.278102	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+2Cl"	69.938804
"1035652"	468.072302	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2Cl"	69.938804
"1253041"	945.124685	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Br"	78.918885
"1313668"	947.180672	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Cl+HCOOH"	80.974872
"1332258"	969.162629	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Cl+NaCOOH"	102.956829
"923316"	979.191386	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M-H+CF3COOH"	112.985586
"1302216"	1015.168064	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Cl+CF3COOH"	148.962264
"1381838"	831.193124	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H-2H2O"	-35.012676
"1396416"	849.2031	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H-H2O"	-17.0027
"296102"	1733.418876	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+H"	1.007276
"689981"	2599.624676	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+H"	1.007276
"1364873"	867.213076	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H"	1.007276
"132657"	867.213076	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+2H"	2.014552
"572218"	1300.315976	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+2H"	2.014552
"1039314"	434.110176	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2H"	2.014552
"210010"	578.477809333333	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+3H"	3.021828
"648476"	867.213076	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+3H"	3.021828
"1166600"	289.742542666667	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+3H"	3.021828
"427684"	1750.445423	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+NH4"	18.033823
"786123"	2616.651223	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+NH4"	18.033823
"1681598"	884.239623	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+NH4"	18.033823
"330160"	875.7263495	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+H+NH4"	19.041099
"722804"	1308.8292495	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+H+NH4"	19.041099
"1477260"	442.6234495	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H+NH4"	19.041099
"399314"	1755.400818	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+Na"	22.989218
"769720"	2621.606618	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+Na"	22.989218
"1618183"	889.195018	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Na"	22.989218
"329909"	878.204047	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+H+Na"	23.996494
"722415"	1311.306947	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+H+Na"	23.996494
"1474531"	445.101147	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H+Na"	23.996494
"1066689"	297.069856666667	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2H+Na"	25.00377
"1271648"	899.239286	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+CH3OH+H"	33.033486
"391319"	1771.374758	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+K"	38.963158
"752311"	2637.580558	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+K"	38.963158
"1555173"	905.168958	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+K"	38.963158
"312630"	886.191017	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+H+K"	39.970434
"700683"	1319.293917	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+H+K"	39.970434
"1454502"	453.088117	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H+K"	39.970434
"244196"	1774.445426	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+ACN+H"	42.033826
"1221278"	908.239626	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+ACN+H"	42.033826
"1205160"	454.623451	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+ACN+2H"	43.041102
"196941"	1777.38276	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+2Na-H"	44.97116
"637593"	2643.58856	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+2Na-H"	44.97116
"1140005"	911.17696	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2Na-H"	44.97116
"176732"	889.195018	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+2Na"	45.978436
"619575"	1322.297918	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+2Na"	45.978436
"1123081"	456.092118	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2Na"	45.978436
"1407700"	304.397170666667	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H+2Na"	46.985712
"1437627"	913.218546	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H+HCOOH"	47.012746
"221856"	894.22804	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+3H2O+2H"	56.04448
"1519758"	927.27059	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+IsoProp+H"	61.06479
"413976"	897.181988	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+Na+K"	61.952376
"772783"	1330.284888	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+Na+K"	61.952376
"1668020"	464.079088	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Na+K"	61.952376
"253451"	1796.427368	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+ACN+Na"	64.015768
"1230531"	930.221568	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+ACN+Na"	64.015768
"1715410"	930.245093	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+NH4+HCOOH"	64.039293
"1181857"	311.724484666667	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+3Na"	68.967654
"1657955"	935.200488	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Na+HCOOH"	68.994688
"171381"	1809.33064	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+2K-H"	76.91904
"610942"	2675.53644	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+2K-H"	76.91904
"1097643"	943.12484	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2K-H"	76.91904
"152271"	905.168958	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"2M+2K"	77.926316
"592923"	1338.271858	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"3M+2K"	77.926316
"1081692"	472.066058	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2K"	77.926316
"1113929"	945.139392	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2K+H"	78.933592
"1347032"	945.227007	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+DMSO+H"	79.021207
"1014468"	949.266176	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2ACN+H"	83.060376
"1538434"	950.259808	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+IsoProp+Na+H"	84.054008
"1005244"	475.136726	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+2ACN+2H"	84.067652
"1595732"	951.174428	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+K+HCOOH"	84.968628
"1425767"	981.205938	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+H+CF3COOH"	115.000138
"1159336"	495.650001	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+3ACN+2H"	125.094202
"1709982"	998.232485	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+NH4+CF3COOH"	132.026685
"1647820"	1003.18788	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+Na+CF3COOH"	136.98208
"1582377"	1019.16182	"C10239"	"Robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol"	"C45H38O18"	"866.2058"	"M+K+CF3COOH"	152.95602
"803994"	1874.1894	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M"	0
"975700"	1855.17101	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-H2O-H"	-19.01839
"71238"	1248.452324	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M-3H"	-3.021828
"505333"	1873.182124	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M-3H"	-3.021828
"880017"	623.722524	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-3H"	-3.021828
"4987"	1873.182124	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M-2H"	-2.014552
"442362"	2810.276824	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M-2H"	-2.014552
"819798"	936.087424	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-2H"	-2.014552
"80516"	3747.371524	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M-H"	-1.007276
"520812"	5621.560924	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M-H"	-1.007276
"904084"	1873.182124	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-H"	-1.007276
"57366"	3764.398071	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M-2H+NH4"	16.019271
"498019"	5638.587471	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M-2H+NH4"	16.019271
"866342"	1890.208671	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-2H+NH4"	16.019271
"33512"	3769.353466	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M-2H+Na"	20.974666
"472713"	5643.542866	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M-2H+Na"	20.974666
"861088"	1895.164066	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-2H+Na"	20.974666
"1627344"	1895.164066	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Na-2H"	20.974666
"100595"	1891.170463	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M-H+Cl"	33.962126
"539060"	2828.265163	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M-H+Cl"	33.962126
"933668"	954.075763	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-H+Cl"	33.962126
"270037"	3783.348202	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+Cl"	34.969402
"669025"	5657.537602	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+Cl"	34.969402
"1279242"	1909.158802	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Cl"	34.969402
"19976"	3785.327406	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M-2H+K"	36.948606
"459903"	5659.516806	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M-2H+K"	36.948606
"847676"	1911.138006	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-2H+K"	36.948606
"1568490"	1911.138006	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+K-2H"	36.948606
"957103"	1919.187594	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-H+HCOOH"	44.998194
"374226"	3793.377001	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+HCOOH-H"	44.998201
"360784"	3807.392651	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+Hac-H"	59.013851
"1501473"	1933.203251	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Hac-H"	59.013851
"971202"	1941.169551	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-H+NaCOOH"	66.980151
"117921"	1909.158802	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+2Cl"	69.938804
"560762"	2846.253502	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+2Cl"	69.938804
"1033940"	972.064102	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2Cl"	69.938804
"1248046"	1953.108285	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Br"	78.918885
"1313778"	1955.164272	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Cl+HCOOH"	80.974872
"1330180"	1977.146229	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Cl+NaCOOH"	102.956829
"919051"	1987.174986	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M-H+CF3COOH"	112.985586
"1303298"	2023.151664	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Cl+CF3COOH"	148.962264
"1377205"	1839.176724	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H-2H2O"	-35.012676
"1397620"	1857.1867	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H-H2O"	-17.0027
"294389"	3749.386076	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+H"	1.007276
"686811"	5623.575476	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+H"	1.007276
"1365347"	1875.196676	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H"	1.007276
"132767"	1875.196676	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+2H"	2.014552
"572328"	2812.291376	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+2H"	2.014552
"1039303"	938.101976	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2H"	2.014552
"209027"	1250.466876	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+3H"	3.021828
"649679"	1875.196676	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+3H"	3.021828
"1166710"	625.737076	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+3H"	3.021828
"427794"	3766.412623	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+NH4"	18.033823
"785871"	5640.602023	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+NH4"	18.033823
"1682562"	1892.223223	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+NH4"	18.033823
"331569"	1883.7099495	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+H+NH4"	19.041099
"722977"	2820.8046495	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+H+NH4"	19.041099
"1477815"	946.6152495	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H+NH4"	19.041099
"399424"	3771.368018	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+Na"	22.989218
"769896"	5645.557418	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+Na"	22.989218
"1618425"	1897.178618	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Na"	22.989218
"329742"	1886.187647	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+H+Na"	23.996494
"721675"	2823.282347	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+H+Na"	23.996494
"1475976"	949.092947	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H+Na"	23.996494
"1064603"	633.06439	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2H+Na"	25.00377
"1271025"	1907.222886	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+CH3OH+H"	33.033486
"391425"	3787.341958	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+K"	38.963158
"752422"	5661.531358	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+K"	38.963158
"1555203"	1913.152558	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+K"	38.963158
"313712"	1894.174617	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+H+K"	39.970434
"701886"	2831.269317	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+H+K"	39.970434
"1454612"	957.079917	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H+K"	39.970434
"245399"	3790.412626	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+ACN+H"	42.033826
"1218107"	1916.223226	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+ACN+H"	42.033826
"1205270"	958.615251	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+ACN+2H"	43.041102
"195958"	3793.34996	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+2Na-H"	44.97116
"636610"	5667.53936	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+2Na-H"	44.97116
"1139021"	1919.16056	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2Na-H"	44.97116
"176843"	1897.178618	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+2Na"	45.978436
"618592"	2834.273318	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+2Na"	45.978436
"1122098"	960.083918	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2Na"	45.978436
"1408903"	640.391704	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H+2Na"	46.985712
"1441017"	1921.202146	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H+HCOOH"	47.012746
"221599"	1902.21164	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+3H2O+2H"	56.04448
"1519868"	1935.25419	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+IsoProp+H"	61.06479
"412994"	1905.165588	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+Na+K"	61.952376
"771797"	2842.260288	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+Na+K"	61.952376
"1668128"	968.070888	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Na+K"	61.952376
"252831"	3812.394568	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+ACN+Na"	64.015768
"1226995"	1938.205168	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+ACN+Na"	64.015768
"1715520"	1938.228693	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+NH4+HCOOH"	64.039293
"1180874"	647.719018	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+3Na"	68.967654
"1658065"	1943.184088	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Na+HCOOH"	68.994688
"171370"	3825.29784	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+2K-H"	76.91904
"611781"	5699.48724	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+2K-H"	76.91904
"1098842"	1951.10844	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2K-H"	76.91904
"153471"	1913.152558	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"2M+2K"	77.926316
"595343"	2850.247258	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"3M+2K"	77.926316
"1081800"	976.057858	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2K"	77.926316
"1112946"	1953.122992	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2K+H"	78.933592
"1347142"	1953.210607	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+DMSO+H"	79.021207
"1015671"	1957.249776	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2ACN+H"	83.060376
"1537815"	1958.243408	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+IsoProp+Na+H"	84.054008
"1003530"	979.128526	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+2ACN+2H"	84.067652
"1600217"	1959.158028	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+K+HCOOH"	84.968628
"1425877"	1989.189538	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+H+CF3COOH"	115.000138
"1158351"	999.641801	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+3ACN+2H"	125.094202
"1710092"	2006.216085	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+NH4+CF3COOH"	132.026685
"1641369"	2011.17148	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+Na+CF3COOH"	136.98208
"1582487"	2027.14542	"C10240"	"Rugosin D"	"C82H58O52"	"1874.1894"	"M+K+CF3COOH"	152.95602
"803375"	786.0916	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M"	0
"976541"	767.07321	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-H2O-H"	-19.01839
"71348"	523.053790666667	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M-3H"	-3.021828
"505443"	785.084324	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M-3H"	-3.021828
"880686"	261.023257333333	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-3H"	-3.021828
"5097"	785.084324	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M-2H"	-2.014552
"442472"	1178.130124	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M-2H"	-2.014552
"819908"	392.038524	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-2H"	-2.014552
"83176"	1571.175924	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M-H"	-1.007276
"520314"	2357.267524	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M-H"	-1.007276
"907474"	785.084324	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-H"	-1.007276
"58569"	1588.202471	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M-2H+NH4"	16.019271
"500073"	2374.294071	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M-2H+NH4"	16.019271
"866209"	802.110871	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-2H+NH4"	16.019271
"33986"	1593.157866	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M-2H+Na"	20.974666
"476835"	2379.249466	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M-2H+Na"	20.974666
"861198"	807.066266	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-2H+Na"	20.974666
"1627454"	807.066266	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Na-2H"	20.974666
"98517"	803.072663	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M-H+Cl"	33.962126
"539170"	1196.118463	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M-H+Cl"	33.962126
"930498"	410.026863	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-H+Cl"	33.962126
"267310"	1607.152602	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+Cl"	34.969402
"660060"	2393.244202	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+Cl"	34.969402
"1277165"	821.061002	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Cl"	34.969402
"20086"	1609.131806	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M-2H+K"	36.948606
"460013"	2395.223406	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M-2H+K"	36.948606
"837817"	823.040206	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-2H+K"	36.948606
"1566778"	823.040206	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+K-2H"	36.948606
"955026"	831.089794	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-H+HCOOH"	44.998194
"369961"	1617.181401	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+HCOOH-H"	44.998201
"349470"	1631.197051	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+Hac-H"	59.013851
"1500489"	845.105451	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Hac-H"	59.013851
"970219"	853.071751	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-H+NaCOOH"	66.980151
"114752"	821.061002	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+2Cl"	69.938804
"556500"	1214.106802	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+2Cl"	69.938804
"1033686"	428.015202	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2Cl"	69.938804
"1246698"	865.010485	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Br"	78.918885
"1313888"	867.066472	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Cl+HCOOH"	80.974872
"1330290"	889.048429	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Cl+NaCOOH"	102.956829
"918068"	899.077186	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M-H+CF3COOH"	112.985586
"1300977"	935.053864	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Cl+CF3COOH"	148.962264
"1377315"	751.078924	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H-2H2O"	-35.012676
"1397001"	769.0889	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H-H2O"	-17.0027
"296686"	1573.190476	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+H"	1.007276
"686921"	2359.282076	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+H"	1.007276
"1365093"	787.098876	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H"	1.007276
"132877"	787.098876	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+2H"	2.014552
"571344"	1180.144676	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+2H"	2.014552
"1041599"	394.053076	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2H"	2.014552
"210230"	525.068342666667	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+3H"	3.021828
"650882"	787.098876	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+3H"	3.021828
"1167914"	263.037809333333	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+3H"	3.021828
"431185"	1590.217023	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+NH4"	18.033823
"788898"	2376.308623	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+NH4"	18.033823
"1682675"	804.125423	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+NH4"	18.033823
"332411"	795.6121495	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+H+NH4"	19.041099
"724835"	1188.6579495	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+H+NH4"	19.041099
"1478288"	402.5663495	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H+NH4"	19.041099
"398441"	1595.172418	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+Na"	22.989218
"769531"	2381.264018	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+Na"	22.989218
"1617022"	809.080818	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Na"	22.989218
"328392"	798.089847	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+H+Na"	23.996494
"722029"	1191.135647	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+H+Na"	23.996494
"1476451"	405.044047	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H+Na"	23.996494
"1064713"	270.365123333333	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2H+Na"	25.00377
"1269677"	819.125086	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+CH3OH+H"	33.033486
"388251"	1611.146358	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+K"	38.963158
"753259"	2397.237958	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+K"	38.963158
"1554460"	825.054758	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+K"	38.963158
"312850"	806.076817	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+H+K"	39.970434
"701996"	1199.122617	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+H+K"	39.970434
"1454722"	413.031017	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H+K"	39.970434
"243323"	1614.217026	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+ACN+H"	42.033826
"1218217"	828.125426	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+ACN+H"	42.033826
"1202101"	414.566351	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+ACN+2H"	43.041102
"198255"	1617.15436	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+2Na-H"	44.97116
"636720"	2403.24596	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+2Na-H"	44.97116
"1139131"	831.06276	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2Na-H"	44.97116
"176953"	809.080818	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+2Na"	45.978436
"620889"	1202.126618	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+2Na"	45.978436
"1122208"	416.035018	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2Na"	45.978436
"1409013"	277.692437333333	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H+2Na"	46.985712
"1441127"	833.104346	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H+HCOOH"	47.012746
"220370"	814.11384	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+3H2O+2H"	56.04448
"1515605"	847.15639	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+IsoProp+H"	61.06479
"412009"	817.067788	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+Na+K"	61.952376
"771907"	1210.113588	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+Na+K"	61.952376
"1667874"	424.021988	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Na+K"	61.952376
"253059"	1636.198968	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+ACN+Na"	64.015768
"1226860"	850.107368	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+ACN+Na"	64.015768
"1713926"	850.130893	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+NH4+HCOOH"	64.039293
"1181712"	285.019751333333	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+3Na"	68.967654
"1655989"	855.086288	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Na+HCOOH"	68.994688
"171116"	1649.10224	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+2K-H"	76.91904
"610069"	2435.19384	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+2K-H"	76.91904
"1097860"	863.01064	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2K-H"	76.91904
"152488"	825.054758	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"2M+2K"	77.926316
"594966"	1218.100558	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"3M+2K"	77.926316
"1081789"	432.008958	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2K"	77.926316
"1115006"	865.025192	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2K+H"	78.933592
"1349440"	865.112807	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+DMSO+H"	79.021207
"1016874"	869.151976	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2ACN+H"	83.060376
"1537561"	870.145608	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+IsoProp+Na+H"	84.054008
"1004616"	435.079626	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+2ACN+2H"	84.067652
"1601422"	871.060228	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+K+HCOOH"	84.968628
"1429875"	901.091738	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+H+CF3COOH"	115.000138
"1156274"	455.592901	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+3ACN+2H"	125.094202
"1706922"	918.118285	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+NH4+CF3COOH"	132.026685
"1641479"	923.07368	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+Na+CF3COOH"	136.98208
"1582597"	939.04762	"C10241"	"Tellimagrandin I;1-Desgalloyleugeniin"	"C34H26O22"	"786.0916"	"M+K+CF3COOH"	152.95602
"806401"	601.9969	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M"	0
"976653"	582.97851	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-H2O-H"	-19.01839
"74738"	400.323990666667	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M-3H"	-3.021828
"511020"	600.989624	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M-3H"	-3.021828
"885541"	199.658357333333	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-3H"	-3.021828
"5208"	600.989624	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M-2H"	-2.014552
"444769"	901.988074	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M-2H"	-2.014552
"820384"	299.991174	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-2H"	-2.014552
"80737"	1202.986524	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M-H"	-1.007276
"521760"	1804.983424	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M-H"	-1.007276
"907584"	600.989624	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-H"	-1.007276
"59772"	1220.013071	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M-2H+NH4"	16.019271
"498238"	1822.009971	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M-2H+NH4"	16.019271
"869482"	618.016171	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-2H+NH4"	16.019271
"35193"	1224.968466	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M-2H+Na"	20.974666
"480225"	1826.965366	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M-2H+Na"	20.974666
"861309"	622.971566	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-2H+Na"	20.974666
"1629751"	622.971566	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Na-2H"	20.974666
"99721"	618.977963	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M-H+Cl"	33.962126
"544748"	919.976413	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M-H+Cl"	33.962126
"936076"	317.979513	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-H+Cl"	33.962126
"273538"	1238.963202	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+Cl"	34.969402
"663771"	1840.960102	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+Cl"	34.969402
"1278368"	636.966302	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Cl"	34.969402
"20925"	1240.942406	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M-2H+K"	36.948606
"461216"	1842.939306	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M-2H+K"	36.948606
"839749"	638.945506	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-2H+K"	36.948606
"1561783"	638.945506	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+K-2H"	36.948606
"949667"	646.995094	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-H+HCOOH"	44.998194
"367883"	1248.992001	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+HCOOH-H"	44.998201
"352859"	1263.007651	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+Hac-H"	59.013851
"1498413"	661.010751	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Hac-H"	59.013851
"965957"	668.977051	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-H+NaCOOH"	66.980151
"117047"	636.966302	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+2Cl"	69.938804
"556609"	937.964752	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+2Cl"	69.938804
"1028690"	335.967852	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2Cl"	69.938804
"1249360"	680.915785	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Br"	78.918885
"1316914"	682.971772	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Cl+HCOOH"	80.974872
"1329307"	704.953729	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Cl+NaCOOH"	102.956829
"920364"	714.982486	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M-H+CF3COOH"	112.985586
"1294891"	750.959164	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Cl+CF3COOH"	148.962264
"1377426"	566.984224	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H-2H2O"	-35.012676
"1393830"	584.9942	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H-H2O"	-17.0027
"296796"	1205.001076	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+H"	1.007276
"688124"	1806.997976	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+H"	1.007276
"1356818"	603.004176	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H"	1.007276
"130800"	603.004176	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+2H"	2.014552
"572547"	904.002626	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+2H"	2.014552
"1044626"	302.005726	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2H"	2.014552
"210340"	402.338542666667	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+3H"	3.021828
"650992"	603.004176	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+3H"	3.021828
"1163771"	201.672909333333	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+3H"	3.021828
"425827"	1222.027623	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+NH4"	18.033823
"787184"	1824.024523	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+NH4"	18.033823
"1682419"	620.030723	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+NH4"	18.033823
"332516"	611.5174495	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+H+NH4"	19.041099
"724095"	912.5158995	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+H+NH4"	19.041099
"1477343"	310.5189995	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H+NH4"	19.041099
"402924"	1226.983018	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+Na"	22.989218
"769642"	1828.979918	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+Na"	22.989218
"1617012"	624.986118	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Na"	22.989218
"328991"	613.995147	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+H+Na"	23.996494
"721896"	914.993597	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+H+Na"	23.996494
"1476444"	312.996697	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H+Na"	23.996494
"1067903"	209.000223333333	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2H+Na"	25.00377
"1269784"	635.030386	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+CH3OH+H"	33.033486
"391640"	1242.956958	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+K"	38.963158
"753490"	1844.953858	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+K"	38.963158
"1555099"	640.960058	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+K"	38.963158
"311866"	621.982117	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+H+K"	39.970434
"703199"	922.980567	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+H+K"	39.970434
"1459205"	320.983667	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H+K"	39.970434
"247806"	1246.027626	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+ACN+H"	42.033826
"1220514"	644.030726	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+ACN+H"	42.033826
"1205491"	322.519001	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+ACN+2H"	43.041102
"200188"	1248.96496	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+2Na-H"	44.97116
"641932"	1850.96186	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+2Na-H"	44.97116
"1142521"	646.96806	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2Na-H"	44.97116
"180343"	624.986118	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+2Na"	45.978436
"624279"	925.984568	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+2Na"	45.978436
"1126691"	323.987668	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2Na"	45.978436
"1409123"	216.327537333333	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H+2Na"	46.985712
"1442331"	649.009646	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H+HCOOH"	47.012746
"221457"	630.01914	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+3H2O+2H"	56.04448
"1511342"	663.06169	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+IsoProp+H"	61.06479
"412121"	632.973088	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+Na+K"	61.952376
"773111"	933.971538	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+Na+K"	61.952376
"1667985"	331.974638	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Na+K"	61.952376
"251993"	1268.009568	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+ACN+Na"	64.015768
"1225876"	666.012668	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+ACN+Na"	64.015768
"1713307"	666.036193	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+NH4+HCOOH"	64.039293
"1179754"	223.654851333333	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+3Na"	68.967654
"1656099"	670.991588	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Na+HCOOH"	68.994688
"172320"	1280.91284	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+2K-H"	76.91904
"612367"	1882.90974	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+2K-H"	76.91904
"1097970"	678.91594	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2K-H"	76.91904
"150410"	640.960058	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"2M+2K"	77.926316
"587782"	941.958508	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"3M+2K"	77.926316
"1083604"	339.961608	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2K"	77.926316
"1114266"	680.930492	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2K+H"	78.933592
"1350405"	681.018107	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+DMSO+H"	79.021207
"1019170"	685.057276	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2ACN+H"	83.060376
"1535848"	686.050908	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+IsoProp+Na+H"	84.054008
"1002658"	343.032276	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+2ACN+2H"	84.067652
"1601414"	686.965528	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+K+HCOOH"	84.968628
"1429015"	716.997038	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+H+CF3COOH"	115.000138
"1162217"	363.545551	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+3ACN+2H"	125.094202
"1707032"	734.023585	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+NH4+CF3COOH"	132.026685
"1641589"	738.97898	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+Na+CF3COOH"	136.98208
"1582707"	754.95292	"C10242"	"Terminalin;Gallagic acid"	"C28H10O16"	"601.9969"	"M+K+CF3COOH"	152.95602
"803231"	788.1072	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M"	0
"975669"	769.08881	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-H2O-H"	-19.01839
"74848"	524.397524	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M-3H"	-3.021828
"506757"	787.099924	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M-3H"	-3.021828
"884558"	261.695124	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-3H"	-3.021828
"5318"	787.099924	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H"	-2.014552
"444879"	1181.153524	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H"	-2.014552
"817698"	393.046324	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-2H"	-2.014552
"79628"	1575.207124	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M-H"	-1.007276
"522235"	2363.314324	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M-H"	-1.007276
"902226"	787.099924	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-H"	-1.007276
"59882"	1592.233671	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H+NH4"	16.019271
"497255"	2380.340871	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H+NH4"	16.019271
"866308"	804.126471	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-2H+NH4"	16.019271
"33844"	1597.189066	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H+Na"	20.974666
"480335"	2385.296266	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H+Na"	20.974666
"858139"	809.081866	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-2H+Na"	20.974666
"1629861"	809.081866	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Na-2H"	20.974666
"107849"	805.088263	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M-H+Cl"	33.962126
"547043"	1199.141863	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M-H+Cl"	33.962126
"938372"	411.034663	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-H+Cl"	33.962126
"268301"	1611.183802	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+Cl"	34.969402
"661694"	2399.291002	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+Cl"	34.969402
"1278478"	823.076602	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl"	34.969402
"21035"	1613.163006	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M-2H+K"	36.948606
"464241"	2401.270206	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M-2H+K"	36.948606
"839130"	825.055806	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-2H+K"	36.948606
"1562986"	825.055806	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+K-2H"	36.948606
"953056"	833.105394	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-H+HCOOH"	44.998194
"371272"	1621.212601	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+HCOOH-H"	44.998201
"354062"	1635.228251	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+Hac-H"	59.013851
"1499615"	847.121051	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Hac-H"	59.013851
"966066"	855.087351	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-H+NaCOOH"	66.980151
"119343"	823.076602	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+2Cl"	69.938804
"555626"	1217.130202	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+2Cl"	69.938804
"1030986"	429.023002	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2Cl"	69.938804
"1245459"	867.026085	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Br"	78.918885
"1317388"	869.082072	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl+HCOOH"	80.974872
"1327230"	891.064029	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl+NaCOOH"	102.956829
"920474"	901.092786	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M-H+CF3COOH"	112.985586
"1297185"	937.069464	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Cl+CF3COOH"	148.962264
"1378629"	753.094524	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H-2H2O"	-35.012676
"1397950"	771.1045	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H-H2O"	-17.0027
"297999"	1577.221676	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+H"	1.007276
"689327"	2365.328876	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+H"	1.007276
"1361300"	789.114476	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H"	1.007276
"133096"	789.114476	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+2H"	2.014552
"569374"	1183.168076	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+2H"	2.014552
"1039631"	395.060876	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2H"	2.014552
"212635"	526.412076	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+3H"	3.021828
"644905"	789.114476	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+3H"	3.021828
"1164853"	263.709676	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+3H"	3.021828
"424282"	1594.248223	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+NH4"	18.033823
"786199"	2382.355423	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+NH4"	18.033823
"1682528"	806.141023	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+NH4"	18.033823
"330559"	797.6277495	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+H+NH4"	19.041099
"723353"	1191.6813495	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+H+NH4"	19.041099
"1478872"	403.5741495	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H+NH4"	19.041099
"404856"	1599.203618	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+Na"	22.989218
"769025"	2387.310818	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+Na"	22.989218
"1617970"	811.096418	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Na"	22.989218
"329749"	800.105447	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+H+Na"	23.996494
"722535"	1194.159047	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+H+Na"	23.996494
"1476430"	406.051847	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H+Na"	23.996494
"1068324"	271.03699	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2H+Na"	25.00377
"1269894"	821.140686	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+CH3OH+H"	33.033486
"389563"	1615.177558	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+K"	38.963158
"748374"	2403.284758	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+K"	38.963158
"1553707"	827.070358	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+K"	38.963158
"313435"	808.092417	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+H+K"	39.970434
"701118"	1202.146017	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+H+K"	39.970434
"1457127"	414.038817	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H+K"	39.970434
"248645"	1618.248226	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+ACN+H"	42.033826
"1221717"	830.141026	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+ACN+H"	42.033826
"1207423"	415.574151	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+ACN+2H"	43.041102
"199205"	1621.18556	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+2Na-H"	44.97116
"640221"	2409.29276	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+2Na-H"	44.97116
"1144090"	833.07836	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2Na-H"	44.97116
"183733"	811.096418	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+2Na"	45.978436
"623296"	1205.150018	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+2Na"	45.978436
"1126436"	417.042818	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2Na"	45.978436
"1412512"	278.364304	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H+2Na"	46.985712
"1441347"	835.119946	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H+HCOOH"	47.012746
"227761"	816.12944	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+3H2O+2H"	56.04448
"1515826"	849.17199	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+IsoProp+H"	61.06479
"414418"	819.083388	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+Na+K"	61.952376
"771156"	1213.136988	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+Na+K"	61.952376
"1668462"	425.029788	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Na+K"	61.952376
"251435"	1640.230168	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+ACN+Na"	64.015768
"1226231"	852.122968	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+ACN+Na"	64.015768
"1714025"	852.146493	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+NH4+HCOOH"	64.039293
"1178686"	285.691618	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+3Na"	68.967654
"1657302"	857.101888	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Na+HCOOH"	68.994688
"171947"	1653.13344	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+2K-H"	76.91904
"612559"	2441.24064	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+2K-H"	76.91904
"1098080"	865.02624	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2K-H"	76.91904
"150520"	827.070358	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"2M+2K"	77.926316
"586799"	1221.123958	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"3M+2K"	77.926316
"1083102"	433.016758	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2K"	77.926316
"1114978"	867.040792	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2K+H"	78.933592
"1350876"	867.128407	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+DMSO+H"	79.021207
"1019280"	871.167576	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2ACN+H"	83.060376
"1538505"	872.161208	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+IsoProp+Na+H"	84.054008
"1003861"	436.087426	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+2ACN+2H"	84.067652
"1600550"	873.075828	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+K+HCOOH"	84.968628
"1428273"	903.107338	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+H+CF3COOH"	115.000138
"1159775"	456.600701	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+3ACN+2H"	125.094202
"1707142"	920.133885	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+NH4+CF3COOH"	132.026685
"1641699"	925.08928	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+Na+CF3COOH"	136.98208
"1582817"	941.06322	"C10243"	"1234-Tetragalloyl-alpha-D-glucose"	"C34H28O22"	"788.1072"	"M+K+CF3COOH"	152.95602
"803341"	282.0892	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M"	0
"976872"	263.07081	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-H2O-H"	-19.01839
"73865"	187.052190666667	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M-3H"	-3.021828
"506867"	281.081924	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M-3H"	-3.021828
"884668"	93.0224573333333	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-3H"	-3.021828
"5428"	281.081924	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M-2H"	-2.014552
"444989"	422.126524	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M-2H"	-2.014552
"818780"	140.037324	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-2H"	-2.014552
"79981"	563.171124	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M-H"	-1.007276
"521616"	845.260324	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M-H"	-1.007276
"899055"	281.081924	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-H"	-1.007276
"59992"	580.197671	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M-2H+NH4"	16.019271
"497365"	862.286871	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M-2H+NH4"	16.019271
"867145"	298.108471	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-2H+NH4"	16.019271
"34682"	585.153066	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M-2H+Na"	20.974666
"477165"	867.242266	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M-2H+Na"	20.974666
"854969"	303.063866	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-2H+Na"	20.974666
"1629971"	303.063866	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Na-2H"	20.974666
"107593"	299.070263	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M-H+Cl"	33.962126
"547153"	440.114863	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M-H+Cl"	33.962126
"935202"	158.025663	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-H+Cl"	33.962126
"268290"	599.147802	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+Cl"	34.969402
"660953"	881.237002	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+Cl"	34.969402
"1278588"	317.058602	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Cl"	34.969402
"22238"	601.127006	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M-2H+K"	36.948606
"461801"	883.216206	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M-2H+K"	36.948606
"837420"	319.037806	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-2H+K"	36.948606
"1563096"	319.037806	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+K-2H"	36.948606
"952073"	327.087394	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-H+HCOOH"	44.998194
"370288"	609.176601	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+HCOOH-H"	44.998201
"351984"	623.192251	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+Hac-H"	59.013851
"1499723"	341.103051	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Hac-H"	59.013851
"965811"	349.069351	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-H+NaCOOH"	66.980151
"117995"	317.058602	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+2Cl"	69.938804
"555736"	458.103202	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+2Cl"	69.938804
"1026723"	176.014002	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2Cl"	69.938804
"1245205"	361.008085	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Br"	78.918885
"1314217"	363.064072	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Cl+HCOOH"	80.974872
"1328433"	385.046029	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Cl+NaCOOH"	102.956829
"920584"	395.074786	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M-H+CF3COOH"	112.985586
"1297295"	431.051464	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Cl+CF3COOH"	148.962264
"1374365"	247.076524	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H-2H2O"	-35.012676
"1394048"	265.0865	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H-H2O"	-17.0027
"291549"	565.185676	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+H"	1.007276
"687251"	847.274876	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+H"	1.007276
"1357038"	283.096476	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H"	1.007276
"131020"	283.096476	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+2H"	2.014552
"568391"	424.141076	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+2H"	2.014552
"1037550"	142.051876	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2H"	2.014552
"204354"	189.066742666667	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+3H"	3.021828
"644397"	283.096476	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+3H"	3.021828
"1163049"	95.0370093333333	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+3H"	3.021828
"424498"	582.212223	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+NH4"	18.033823
"785901"	864.301423	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+NH4"	18.033823
"1682272"	300.123023	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+NH4"	18.033823
"331275"	291.6097495	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+H+NH4"	19.041099
"723056"	432.6543495	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+H+NH4"	19.041099
"1477083"	150.5651495	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H+NH4"	19.041099
"404238"	587.167618	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+Na"	22.989218
"769921"	869.256818	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+Na"	22.989218
"1616987"	305.078418	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Na"	22.989218
"329819"	294.087447	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+H+Na"	23.996494
"722480"	435.132047	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+H+Na"	23.996494
"1475082"	153.042847	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H+Na"	23.996494
"1068464"	102.364323333333	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2H+Na"	25.00377
"1270004"	315.122686	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+CH3OH+H"	33.033486
"391496"	603.141558	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+K"	38.963158
"748484"	885.230758	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+K"	38.963158
"1554911"	321.052358	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+K"	38.963158
"313545"	302.074417	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+H+K"	39.970434
"701228"	443.119017	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+H+K"	39.970434
"1455050"	161.029817	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H+K"	39.970434
"248392"	606.212226	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+ACN+H"	42.033826
"1222557"	324.123026	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+ACN+H"	42.033826
"1207533"	162.565151	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+ACN+2H"	43.041102
"198586"	609.14956	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+2Na-H"	44.97116
"639967"	891.23876	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+2Na-H"	44.97116
"1143473"	327.06036	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2Na-H"	44.97116
"186395"	305.078418	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+2Na"	45.978436
"623407"	446.123018	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+2Na"	45.978436
"1126546"	164.033818	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2Na"	45.978436
"1411893"	109.691637333333	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H+2Na"	46.985712
"1441457"	329.101946	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H+HCOOH"	47.012746
"227871"	310.11144	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+3H2O+2H"	56.04448
"1515936"	343.15399	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+IsoProp+H"	61.06479
"412341"	313.065388	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+Na+K"	61.952376
"770089"	454.109988	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+Na+K"	61.952376
"1671852"	172.020788	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Na+K"	61.952376
"251528"	628.194168	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+ACN+Na"	64.015768
"1226013"	346.104968	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+ACN+Na"	64.015768
"1713893"	346.128493	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+NH4+HCOOH"	64.039293
"1178998"	117.018951333333	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+3Na"	68.967654
"1655225"	351.083888	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Na+HCOOH"	68.994688
"172542"	641.09744	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+2K-H"	76.91904
"610396"	923.18664	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+2K-H"	76.91904
"1098799"	359.00824	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2K-H"	76.91904
"150630"	321.052358	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"2M+2K"	77.926316
"586909"	462.096958	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"3M+2K"	77.926316
"1083944"	180.007758	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2K"	77.926316
"1115211"	361.022792	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2K+H"	78.933592
"1350823"	361.110407	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+DMSO+H"	79.021207
"1016111"	365.149576	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2ACN+H"	83.060376
"1537522"	366.143208	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+IsoProp+Na+H"	84.054008
"1004336"	183.078426	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+2ACN+2H"	84.067652
"1601388"	367.057828	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+K+HCOOH"	84.968628
"1428869"	397.089338	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+H+CF3COOH"	115.000138
"1160614"	203.591701	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+3ACN+2H"	125.094202
"1707252"	414.115885	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+NH4+CF3COOH"	132.026685
"1641809"	419.07128	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+Na+CF3COOH"	136.98208
"1582927"	435.04522	"C10244"	"Agrostophyllin"	"C17H14O4"	"282.0892"	"M+K+CF3COOH"	152.95602
"806731"	406.1264	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M"	0
"975889"	387.10801	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-H2O-H"	-19.01839
"71788"	269.743657333333	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M-3H"	-3.021828
"504790"	405.119124	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M-3H"	-3.021828
"885871"	134.368190666667	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-3H"	-3.021828
"6632"	405.119124	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M-2H"	-2.014552
"443276"	608.182324	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M-2H"	-2.014552
"817916"	202.055924	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-2H"	-2.014552
"79484"	811.245524	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M-H"	-1.007276
"521362"	1217.371924	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M-H"	-1.007276
"900258"	405.119124	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-H"	-1.007276
"59742"	828.272071	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M-2H+NH4"	16.019271
"500027"	1234.398471	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M-2H+NH4"	16.019271
"864707"	422.145671	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-2H+NH4"	16.019271
"35525"	833.227466	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M-2H+Na"	20.974666
"477275"	1239.353866	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M-2H+Na"	20.974666
"855079"	427.101066	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-2H+Na"	20.974666
"1630082"	427.101066	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Na-2H"	20.974666
"105883"	423.107463	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M-H+Cl"	33.962126
"546899"	626.170663	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M-H+Cl"	33.962126
"936406"	220.044263	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-H+Cl"	33.962126
"269493"	847.222202	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+Cl"	34.969402
"661184"	1253.348602	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+Cl"	34.969402
"1276510"	441.095802	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Cl"	34.969402
"17969"	849.201406	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M-2H+K"	36.948606
"461911"	1255.327806	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M-2H+K"	36.948606
"837530"	443.075006	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-2H+K"	36.948606
"1563206"	443.075006	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+K-2H"	36.948606
"953276"	451.124594	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-H+HCOOH"	44.998194
"367117"	857.251001	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+HCOOH-H"	44.998201
"351001"	871.266651	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+Hac-H"	59.013851
"1496552"	465.140251	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Hac-H"	59.013851
"968468"	473.106551	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-H+NaCOOH"	66.980151
"118469"	441.095802	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+2Cl"	69.938804
"555846"	644.159002	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+2Cl"	69.938804
"1026833"	238.032602	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2Cl"	69.938804
"1245315"	485.045285	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Br"	78.918885
"1315420"	487.101272	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Cl+HCOOH"	80.974872
"1328543"	509.083229	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Cl+NaCOOH"	102.956829
"922880"	519.111986	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M-H+CF3COOH"	112.985586
"1297405"	555.088664	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Cl+CF3COOH"	148.962264
"1374474"	371.113724	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H-2H2O"	-35.012676
"1394158"	389.1237	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H-H2O"	-17.0027
"291659"	813.260076	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+H"	1.007276
"687361"	1219.386476	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+H"	1.007276
"1357148"	407.133676	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H"	1.007276
"132223"	407.133676	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+2H"	2.014552
"572875"	610.196876	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+2H"	2.014552
"1038393"	204.070476	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2H"	2.014552
"204706"	271.758209333333	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+3H"	3.021828
"644872"	407.133676	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+3H"	3.021828
"1163483"	136.382742666667	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+3H"	3.021828
"424814"	830.286623	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+NH4"	18.033823
"786413"	1236.413023	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+NH4"	18.033823
"1682743"	424.160223	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+NH4"	18.033823
"331024"	415.6469495	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+H+NH4"	19.041099
"723449"	618.7101495	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+H+NH4"	19.041099
"1477116"	212.5837495	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H+NH4"	19.041099
"404348"	835.242018	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+Na"	22.989218
"769242"	1241.368418	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+Na"	22.989218
"1617341"	429.115618	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Na"	22.989218
"329440"	418.124647	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+H+Na"	23.996494
"722761"	621.187847	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+H+Na"	23.996494
"1476045"	215.061447	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H+Na"	23.996494
"1068074"	143.710056666667	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2H+Na"	25.00377
"1270115"	439.159886	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+CH3OH+H"	33.033486
"388690"	851.215958	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+K"	38.963158
"747501"	1257.342358	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+K"	38.963158
"1551376"	445.089558	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+K"	38.963158
"312562"	426.111617	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+H+K"	39.970434
"704254"	629.174817	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+H+K"	39.970434
"1457348"	223.048417	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H+K"	39.970434
"248137"	854.286626	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+ACN+H"	42.033826
"1219387"	448.160226	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+ACN+H"	42.033826
"1205823"	224.583751	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+ACN+2H"	43.041102
"198695"	857.22396	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+2Na-H"	44.97116
"637160"	1263.35036	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+2Na-H"	44.97116
"1139571"	451.09756	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2Na-H"	44.97116
"182860"	429.115618	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+2Na"	45.978436
"623153"	632.178818	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+2Na"	45.978436
"1125927"	226.052418	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2Na"	45.978436
"1405076"	151.037370666667	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H+2Na"	46.985712
"1441203"	453.139146	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H+HCOOH"	47.012746
"227981"	434.14864	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+3H2O+2H"	56.04448
"1510579"	467.19119	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+IsoProp+H"	61.06479
"410264"	437.102588	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+Na+K"	61.952376
"770012"	640.165788	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+Na+K"	61.952376
"1667587"	234.039388	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Na+K"	61.952376
"252039"	876.268568	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+ACN+Na"	64.015768
"1225616"	470.142168	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+ACN+Na"	64.015768
"1713517"	470.165693	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+NH4+HCOOH"	64.039293
"1178704"	158.364684666667	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+3Na"	68.967654
"1655335"	475.121088	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Na+HCOOH"	68.994688
"172167"	889.17184	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+2K-H"	76.91904
"612086"	1295.29824	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+2K-H"	76.91904
"1098786"	483.04544	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2K-H"	76.91904
"150740"	445.089558	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"2M+2K"	77.926316
"588112"	648.152758	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"3M+2K"	77.926316
"1080283"	242.026358	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2K"	77.926316
"1111304"	485.059992	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2K+H"	78.933592
"1347688"	485.147607	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+DMSO+H"	79.021207
"1016216"	489.186776	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2ACN+H"	83.060376
"1538361"	490.180408	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+IsoProp+Na+H"	84.054008
"1004690"	245.097026	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+2ACN+2H"	84.067652
"1600404"	491.095028	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+K+HCOOH"	84.968628
"1428615"	521.126538	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+H+CF3COOH"	115.000138
"1159996"	265.610301	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+3ACN+2H"	125.094202
"1707362"	538.153085	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+NH4+CF3COOH"	132.026685
"1641919"	543.10848	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+Na+CF3COOH"	136.98208
"1583037"	559.08242	"C10245"	"Astringin"	"C20H22O9"	"406.1264"	"M+K+CF3COOH"	152.95602
"810122"	284.1049	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M"	0
"977093"	265.08651	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-H2O-H"	-19.01839
"76271"	188.395990666667	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M-3H"	-3.021828
"505994"	283.097624	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M-3H"	-3.021828
"885981"	93.6943573333333	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-3H"	-3.021828
"13303"	283.097624	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M-2H"	-2.014552
"446303"	425.150074	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M-2H"	-2.014552
"820822"	141.045174	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-2H"	-2.014552
"81541"	567.202524	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M-H"	-1.007276
"528034"	851.307424	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M-H"	-1.007276
"901461"	283.097624	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-H"	-1.007276
"59490"	584.229071	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M-2H+NH4"	16.019271
"497585"	868.333971	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M-2H+NH4"	16.019271
"868825"	300.124171	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-2H+NH4"	16.019271
"38915"	589.184466	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M-2H+Na"	20.974666
"477385"	873.289366	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M-2H+Na"	20.974666
"857375"	305.079566	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-2H+Na"	20.974666
"1630556"	305.079566	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Na-2H"	20.974666
"104534"	301.085963	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M-H+Cl"	33.962126
"547738"	443.138413	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M-H+Cl"	33.962126
"939432"	159.033513	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-H+Cl"	33.962126
"273977"	603.179202	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+Cl"	34.969402
"662266"	887.284102	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+Cl"	34.969402
"1275524"	319.074302	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Cl"	34.969402
"16134"	605.158406	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M-2H+K"	36.948606
"464937"	889.263306	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M-2H+K"	36.948606
"842010"	321.053506	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-2H+K"	36.948606
"1567685"	321.053506	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+K-2H"	36.948606
"947918"	329.103094	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-H+HCOOH"	44.998194
"363216"	613.208001	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+HCOOH-H"	44.998201
"348924"	627.223651	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+Hac-H"	59.013851
"1496295"	343.118751	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Hac-H"	59.013851
"967485"	351.085051	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-H+NaCOOH"	66.980151
"118580"	319.074302	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+2Cl"	69.938804
"555957"	461.126752	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+2Cl"	69.938804
"1024756"	177.021852	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2Cl"	69.938804
"1242994"	363.023785	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Br"	78.918885
"1312250"	365.079772	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Cl+HCOOH"	80.974872
"1320309"	387.061729	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Cl+NaCOOH"	102.956829
"918618"	397.090486	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M-H+CF3COOH"	112.985586
"1296422"	433.067164	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Cl+CF3COOH"	148.962264
"1374583"	249.092224	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H-2H2O"	-35.012676
"1387708"	267.1022	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H-H2O"	-17.0027
"290675"	569.217076	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+H"	1.007276
"685283"	853.321976	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+H"	1.007276
"1359444"	285.112176	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H"	1.007276
"125928"	285.112176	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+2H"	2.014552
"566421"	427.164626	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+2H"	2.014552
"1038744"	143.059726	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2H"	2.014552
"204815"	190.410542666667	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+3H"	3.021828
"644862"	285.112176	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+3H"	3.021828
"1163712"	95.7089093333333	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+3H"	3.021828
"426621"	586.243623	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+NH4"	18.033823
"786283"	870.348523	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+NH4"	18.033823
"1682129"	302.138723	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+NH4"	18.033823
"332226"	293.6254495	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+H+NH4"	19.041099
"726110"	435.6778995	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+H+NH4"	19.041099
"1477252"	151.5729995	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H+NH4"	19.041099
"407008"	591.199018	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+Na"	22.989218
"769233"	875.303918	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+Na"	22.989218
"1616361"	307.094118	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Na"	22.989218
"328823"	296.103147	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+H+Na"	23.996494
"721369"	438.155597	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+H+Na"	23.996494
"1475549"	154.050697	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H+Na"	23.996494
"1064174"	103.036223333333	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2H+Na"	25.00377
"1272053"	317.138386	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+CH3OH+H"	33.033486
"390868"	607.172958	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+K"	38.963158
"749798"	891.277858	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+K"	38.963158
"1554767"	323.068058	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+K"	38.963158
"311943"	304.090117	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+H+K"	39.970434
"705458"	446.142567	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+H+K"	39.970434
"1459278"	162.037667	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H+K"	39.970434
"247520"	610.243626	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+ACN+H"	42.033826
"1219861"	326.138726	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+ACN+H"	42.033826
"1205934"	163.573001	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+ACN+2H"	43.041102
"194796"	613.18096	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+2Na-H"	44.97116
"638001"	897.28586	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+2Na-H"	44.97116
"1142600"	329.07606	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2Na-H"	44.97116
"186254"	307.094118	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+2Na"	45.978436
"626180"	449.146568	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+2Na"	45.978436
"1128954"	165.041668	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2Na"	45.978436
"1408467"	110.363537333333	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H+2Na"	46.985712
"1441313"	331.117646	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H+HCOOH"	47.012746
"228091"	312.12714	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+3H2O+2H"	56.04448
"1517249"	345.16969	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+IsoProp+H"	61.06479
"411466"	315.081088	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+Na+K"	61.952376
"772462"	457.133538	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+Na+K"	61.952376
"1669885"	173.028638	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Na+K"	61.952376
"252392"	632.225568	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+ACN+Na"	64.015768
"1226199"	348.120668	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+ACN+Na"	64.015768
"1713264"	348.144193	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+NH4+HCOOH"	64.039293
"1181535"	117.690851333333	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+3Na"	68.967654
"1658725"	353.099588	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Na+HCOOH"	68.994688
"171303"	645.12884	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+2K-H"	76.91904
"612438"	929.23374	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+2K-H"	76.91904
"1097314"	361.02394	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2K-H"	76.91904
"148661"	323.068058	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"2M+2K"	77.926316
"588220"	465.120508	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"3M+2K"	77.926316
"1081486"	181.015608	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2K"	77.926316
"1113602"	363.038492	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2K+H"	78.933592
"1344518"	363.126107	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+DMSO+H"	79.021207
"1013045"	367.165276	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2ACN+H"	83.060376
"1536648"	368.158908	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+IsoProp+Na+H"	84.054008
"1002370"	184.086276	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+2ACN+2H"	84.067652
"1598690"	369.073528	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+K+HCOOH"	84.968628
"1428725"	399.105038	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+H+CF3COOH"	115.000138
"1157918"	204.599551	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+3ACN+2H"	125.094202
"1710754"	416.131585	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+NH4+CF3COOH"	132.026685
"1638749"	421.08698	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+Na+CF3COOH"	136.98208
"1583147"	437.06092	"C10246"	"Batatasin I;257-Trimethoxyphenanthren-3-ol"	"C17H16O4"	"284.1049"	"M+K+CF3COOH"	152.95602
"810232"	244.1099	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M"	0
"975137"	225.09151	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-H2O-H"	-19.01839
"77475"	161.732657333333	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M-3H"	-3.021828
"507199"	243.102624	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M-3H"	-3.021828
"888279"	80.3626906666667	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-3H"	-3.021828
"12321"	243.102624	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M-2H"	-2.014552
"447506"	365.157574	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M-2H"	-2.014552
"820933"	121.047674	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-2H"	-2.014552
"82381"	487.212524	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M-H"	-1.007276
"530332"	731.322424	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M-H"	-1.007276
"900478"	243.102624	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-H"	-1.007276
"59235"	504.239071	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M-2H+NH4"	16.019271
"500733"	748.348971	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M-2H+NH4"	16.019271
"870032"	260.129171	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-2H+NH4"	16.019271
"39025"	509.194466	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M-2H+Na"	20.974666
"480777"	753.304366	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M-2H+Na"	20.974666
"855299"	265.084566	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-2H+Na"	20.974666
"1630302"	265.084566	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Na-2H"	20.974666
"107561"	261.090963	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M-H+Cl"	33.962126
"548093"	383.145913	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M-H+Cl"	33.962126
"937720"	139.036013	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-H+Cl"	33.962126
"276278"	523.189202	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+Cl"	34.969402
"665415"	767.299102	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+Cl"	34.969402
"1274905"	279.079302	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Cl"	34.969402
"16851"	525.168406	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M-2H+K"	36.948606
"466505"	769.278306	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M-2H+K"	36.948606
"843943"	281.058506	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-2H+K"	36.948606
"1569253"	281.058506	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+K-2H"	36.948606
"954954"	289.108094	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-H+HCOOH"	44.998194
"366241"	533.218001	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+HCOOH-H"	44.998201
"352313"	547.233651	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+Hac-H"	59.013851
"1496772"	303.123751	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Hac-H"	59.013851
"965410"	311.090051	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-H+NaCOOH"	66.980151
"116507"	279.079302	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+2Cl"	69.938804
"558254"	401.134252	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+2Cl"	69.938804
"1027053"	157.024352	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2Cl"	69.938804
"1245899"	323.028785	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Br"	78.918885
"1313453"	325.084772	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Cl+HCOOH"	80.974872
"1328763"	347.066729	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Cl+NaCOOH"	102.956829
"923831"	357.095486	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M-H+CF3COOH"	112.985586
"1299812"	393.072164	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Cl+CF3COOH"	148.962264
"1376880"	209.097224	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H-2H2O"	-35.012676
"1391097"	227.1072	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H-H2O"	-17.0027
"291877"	489.227076	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+H"	1.007276
"687581"	733.336976	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+H"	1.007276
"1357367"	245.117176	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H"	1.007276
"126606"	245.117176	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+2H"	2.014552
"565798"	367.172126	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+2H"	2.014552
"1038611"	123.062226	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2H"	2.014552
"204314"	163.747209333333	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+3H"	3.021828
"644605"	245.117176	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+3H"	3.021828
"1163944"	82.3772426666667	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+3H"	3.021828
"426003"	506.253623	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+NH4"	18.033823
"786636"	750.363523	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+NH4"	18.033823
"1682600"	262.143723	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+NH4"	18.033823
"330878"	253.6304495	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+H+NH4"	19.041099
"725856"	375.6853995	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+H+NH4"	19.041099
"1479677"	131.5754995	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H+NH4"	19.041099
"404565"	511.209018	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+Na"	22.989218
"769865"	755.318918	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+Na"	22.989218
"1617321"	267.099118	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Na"	22.989218
"329544"	256.108147	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+H+Na"	23.996494
"722328"	378.163097	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+H+Na"	23.996494
"1476023"	134.053197	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H+Na"	23.996494
"1063191"	89.7045566666667	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2H+Na"	25.00377
"1270338"	277.143386	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+CH3OH+H"	33.033486
"386726"	527.182958	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+K"	38.963158
"751002"	771.292858	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+K"	38.963158
"1555166"	283.073058	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+K"	38.963158
"313958"	264.095117	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+H+K"	39.970434
"703381"	386.150067	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+H+K"	39.970434
"1456472"	142.040167	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H+K"	39.970434
"249816"	530.253626	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+ACN+H"	42.033826
"1221431"	286.143726	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+ACN+H"	42.033826
"1207866"	143.575501	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+ACN+2H"	43.041102
"198916"	533.19096	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+2Na-H"	44.97116
"640298"	777.30086	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+2Na-H"	44.97116
"1143804"	289.08106	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2Na-H"	44.97116
"186728"	267.099118	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+2Na"	45.978436
"625199"	389.154068	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+2Na"	45.978436
"1129310"	145.044168	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2Na"	45.978436
"1410767"	97.0318706666667	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H+2Na"	46.985712
"1441789"	291.122646	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H+HCOOH"	47.012746
"231483"	272.13214	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+3H2O+2H"	56.04448
"1516266"	305.17469	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+IsoProp+H"	61.06479
"418138"	275.086088	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+Na+K"	61.952376
"772572"	397.141038	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+Na+K"	61.952376
"1671089"	153.031138	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Na+K"	61.952376
"252746"	552.235568	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+ACN+Na"	64.015768
"1226671"	308.125668	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+ACN+Na"	64.015768
"1713861"	308.149193	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+NH4+HCOOH"	64.039293
"1179089"	104.359184666667	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+3Na"	68.967654
"1654462"	313.104588	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Na+HCOOH"	68.994688
"171166"	565.13884	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+2K-H"	76.91904
"608539"	809.24874	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+2K-H"	76.91904
"1091957"	321.02894	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2K-H"	76.91904
"150960"	283.073058	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"2M+2K"	77.926316
"586146"	405.128008	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"3M+2K"	77.926316
"1079409"	161.018108	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2K"	77.926316
"1111524"	323.043492	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2K+H"	78.933592
"1350098"	323.131107	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+DMSO+H"	79.021207
"1013157"	327.170276	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2ACN+H"	83.060376
"1537486"	328.163908	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+IsoProp+Na+H"	84.054008
"1003574"	164.088776	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+2ACN+2H"	84.067652
"1597707"	329.078528	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+K+HCOOH"	84.968628
"1428470"	359.110038	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+H+CF3COOH"	115.000138
"1156935"	184.602051	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+3ACN+2H"	125.094202
"1711958"	376.136585	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+NH4+CF3COOH"	132.026685
"1647607"	381.09198	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+Na+CF3COOH"	136.98208
"1583257"	397.06592	"C10247"	"Batatasin IV;3-2-(2-Hydroxyphenyl)ethyl-5-methoxyphenol"	"C15H16O3"	"244.1099"	"M+K+CF3COOH"	152.95602
"803781"	480.1573	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M"	0
"975121"	461.13891	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-H2O-H"	-19.01839
"77585"	319.097590666667	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M-3H"	-3.021828
"505485"	479.150024	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M-3H"	-3.021828
"887296"	159.045157333333	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-3H"	-3.021828
"9151"	479.150024	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M-2H"	-2.014552
"446523"	719.228674	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M-2H"	-2.014552
"821043"	239.071374	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-2H"	-2.014552
"83222"	959.307324	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M-H"	-1.007276
"527161"	1439.464624	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M-H"	-1.007276
"901681"	479.150024	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-H"	-1.007276
"51681"	976.333871	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M-2H+NH4"	16.019271
"497805"	1456.491171	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M-2H+NH4"	16.019271
"871236"	496.176571	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-2H+NH4"	16.019271
"42415"	981.289266	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M-2H+Na"	20.974666
"480887"	1461.446566	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M-2H+Na"	20.974666
"857595"	501.131966	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-2H+Na"	20.974666
"1630411"	501.131966	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Na-2H"	20.974666
"103658"	497.138363	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M-H+Cl"	33.962126
"543219"	737.217013	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M-H+Cl"	33.962126
"936734"	257.059713	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-H+Cl"	33.962126
"274201"	995.284002	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+Cl"	34.969402
"663702"	1475.441302	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+Cl"	34.969402
"1275015"	515.126702	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Cl"	34.969402
"17201"	997.263206	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M-2H+K"	36.948606
"466251"	1477.420506	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M-2H+K"	36.948606
"844053"	517.105906	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-2H+K"	36.948606
"1568999"	517.105906	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+K-2H"	36.948606
"956522"	525.155494	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-H+HCOOH"	44.998194
"370728"	1005.312801	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+HCOOH-H"	44.998201
"353519"	1019.328451	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+Hac-H"	59.013851
"1499070"	539.171151	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Hac-H"	59.013851
"962241"	547.137451	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-H+NaCOOH"	66.980151
"117709"	515.126702	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+2Cl"	69.938804
"558364"	755.205352	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+2Cl"	69.938804
"1027163"	275.048052	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2Cl"	69.938804
"1245645"	559.076185	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Br"	78.918885
"1313564"	561.132172	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Cl+HCOOH"	80.974872
"1328872"	583.114129	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Cl+NaCOOH"	102.956829
"923941"	593.142886	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M-H+CF3COOH"	112.985586
"1298829"	629.119564	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Cl+CF3COOH"	148.962264
"1376992"	445.144624	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H-2H2O"	-35.012676
"1397041"	463.1546	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H-H2O"	-17.0027
"291988"	961.321876	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+H"	1.007276
"687690"	1441.479176	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+H"	1.007276
"1359663"	481.164576	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H"	1.007276
"127080"	481.164576	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+2H"	2.014552
"566392"	721.243226	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+2H"	2.014552
"1038478"	241.085926	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2H"	2.014552
"204505"	321.112142666667	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+3H"	3.021828
"644388"	481.164576	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+3H"	3.021828
"1163567"	161.059709333333	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+3H"	3.021828
"424653"	978.348423	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+NH4"	18.033823
"785854"	1458.505723	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+NH4"	18.033823
"1682025"	498.191123	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+NH4"	18.033823
"330624"	489.6778495	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+H+NH4"	19.041099
"723778"	729.7564995	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+H+NH4"	19.041099
"1480151"	249.5991995	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H+NH4"	19.041099
"405768"	983.303818	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+Na"	22.989218
"768957"	1463.461118	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+Na"	22.989218
"1618078"	503.146518	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Na"	22.989218
"329776"	492.155547	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+H+Na"	23.996494
"721948"	732.234197	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+H+Na"	23.996494
"1476945"	252.076897	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H+Na"	23.996494
"1063301"	168.387023333333	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2H+Na"	25.00377
"1268261"	513.190786	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+CH3OH+H"	33.033486
"387927"	999.277758	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+K"	38.963158
"750018"	1479.435058	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+K"	38.963158
"1553165"	519.120458	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+K"	38.963158
"313620"	500.142517	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+H+K"	39.970434
"702761"	740.221167	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+H+K"	39.970434
"1457675"	260.063867	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H+K"	39.970434
"250292"	1002.348426	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+ACN+H"	42.033826
"1223361"	522.191126	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+ACN+H"	42.033826
"1208705"	261.599201	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+ACN+2H"	43.041102
"201578"	1005.28576	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+2Na-H"	44.97116
"639678"	1485.44306	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+2Na-H"	44.97116
"1145372"	525.12846	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2Na-H"	44.97116
"187202"	503.146518	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+2Na"	45.978436
"626037"	743.225168	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+2Na"	45.978436
"1127355"	263.067868	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2Na"	45.978436
"1411970"	175.714337333333	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H+2Na"	46.985712
"1440806"	527.170046	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H+HCOOH"	47.012746
"228314"	508.17954	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+3H2O+2H"	56.04448
"1514189"	541.22209	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+IsoProp+H"	61.06479
"413874"	511.133488	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+Na+K"	61.952376
"772317"	751.212138	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+Na+K"	61.952376
"1670106"	271.054838	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Na+K"	61.952376
"252369"	1024.330368	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+ACN+Na"	64.015768
"1228238"	544.173068	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+ACN+Na"	64.015768
"1716034"	544.196593	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+NH4+HCOOH"	64.039293
"1179927"	183.041651333333	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+3Na"	68.967654
"1652736"	549.151988	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Na+HCOOH"	68.994688
"172009"	1037.23364	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+2K-H"	76.91904
"604274"	1517.39094	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+2K-H"	76.91904
"1092067"	557.07634	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2K-H"	76.91904
"152163"	519.120458	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"2M+2K"	77.926316
"588442"	759.199108	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"3M+2K"	77.926316
"1080612"	279.041808	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2K"	77.926316
"1111634"	559.090892	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2K+H"	78.933592
"1349360"	559.178507	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+DMSO+H"	79.021207
"1013267"	563.217676	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2ACN+H"	83.060376
"1535772"	564.211308	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+IsoProp+Na+H"	84.054008
"1000762"	282.112476	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+2ACN+2H"	84.067652
"1596724"	565.125928	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+K+HCOOH"	84.968628
"1427851"	595.157438	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+H+CF3COOH"	115.000138
"1162515"	302.625751	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+3ACN+2H"	125.094202
"1712068"	612.183985	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+NH4+CF3COOH"	132.026685
"1640062"	617.13938	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+Na+CF3COOH"	136.98208
"1583367"	633.11332	"C10248"	"Blestriarene B"	"C30H24O6"	"480.1573"	"M+K+CF3COOH"	152.95602
"803891"	680.2046	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M"	0
"974253"	661.18621	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-H2O-H"	-19.01839
"75509"	452.462457333333	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M-3H"	-3.021828
"513975"	679.197324	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M-3H"	-3.021828
"895060"	225.727590666667	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-3H"	-3.021828
"10355"	679.197324	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M-2H"	-2.014552
"452101"	1019.299624	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M-2H"	-2.014552
"824434"	339.095024	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-2H"	-2.014552
"83332"	1359.401924	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M-H"	-1.007276
"523260"	2039.606524	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M-H"	-1.007276
"902885"	679.197324	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-H"	-1.007276
"48876"	1376.428471	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M-2H+NH4"	16.019271
"494634"	2056.633071	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M-2H+NH4"	16.019271
"873532"	696.223871	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-2H+NH4"	16.019271
"44712"	1381.383866	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M-2H+Na"	20.974666
"480997"	2061.588466	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M-2H+Na"	20.974666
"857705"	701.179266	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-2H+Na"	20.974666
"1627242"	701.179266	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Na-2H"	20.974666
"103767"	697.185663	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M-H+Cl"	33.962126
"543327"	1037.287963	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M-H+Cl"	33.962126
"930280"	357.083363	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-H+Cl"	33.962126
"272120"	1395.378602	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+Cl"	34.969402
"665636"	2075.583202	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+Cl"	34.969402
"1273785"	715.174002	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Cl"	34.969402
"15973"	1397.357806	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M-2H+K"	36.948606
"465631"	2077.562406	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M-2H+K"	36.948606
"841246"	717.153206	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-2H+K"	36.948606
"1566557"	717.153206	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+K-2H"	36.948606
"957361"	725.202794	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-H+HCOOH"	44.998194
"367558"	1405.407401	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+HCOOH-H"	44.998201
"355815"	1419.423051	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+Hac-H"	59.013851
"1500273"	739.218451	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Hac-H"	59.013851
"965630"	747.184751	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-H+NaCOOH"	66.980151
"117819"	715.174002	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+2Cl"	69.938804
"558474"	1055.276302	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+2Cl"	69.938804
"1023259"	375.071702	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2Cl"	69.938804
"1245755"	759.123485	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Br"	78.918885
"1312579"	761.179472	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Cl+HCOOH"	80.974872
"1328982"	783.161429	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Cl+NaCOOH"	102.956829
"921133"	793.190186	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M-H+CF3COOH"	112.985586
"1298939"	829.166864	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Cl+CF3COOH"	148.962264
"1377102"	645.191924	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H-2H2O"	-35.012676
"1397151"	663.2019	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H-H2O"	-17.0027
"292098"	1361.416476	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+H"	1.007276
"687800"	2041.621076	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+H"	1.007276
"1358680"	681.211876	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H"	1.007276
"126703"	681.211876	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+2H"	2.014552
"566259"	1021.314176	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+2H"	2.014552
"1038101"	341.109576	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2H"	2.014552
"205268"	454.477009333333	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+3H"	3.021828
"644540"	681.211876	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+3H"	3.021828
"1162782"	227.742142666667	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+3H"	3.021828
"424395"	1378.443023	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+NH4"	18.033823
"786129"	2058.647623	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+NH4"	18.033823
"1681362"	698.238423	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+NH4"	18.033823
"330738"	689.7251495	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+H+NH4"	19.041099
"723160"	1029.8274495	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+H+NH4"	19.041099
"1478438"	349.6228495	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H+NH4"	19.041099
"405878"	1383.398418	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+Na"	22.989218
"768703"	2063.603018	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+Na"	22.989218
"1616809"	703.193818	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Na"	22.989218
"328303"	692.202847	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+H+Na"	23.996494
"720359"	1032.305147	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+H+Na"	23.996494
"1475272"	352.100547	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H+Na"	23.996494
"1064504"	235.069456666667	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2H+Na"	25.00377
"1267278"	713.238086	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+CH3OH+H"	33.033486
"389130"	1399.372358	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+K"	38.963158
"749036"	2079.576958	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+K"	38.963158
"1553641"	719.167758	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+K"	38.963158
"311544"	700.189817	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+H+K"	39.970434
"701778"	1040.292117	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+H+K"	39.970434
"1456692"	360.087517	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H+K"	39.970434
"249917"	1402.443026	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+ACN+H"	42.033826
"1222014"	722.238426	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+ACN+H"	42.033826
"1207722"	361.622851	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+ACN+2H"	43.041102
"201323"	1405.38036	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+2Na-H"	44.97116
"642343"	2085.58496	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+2Na-H"	44.97116
"1146456"	725.17576	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2Na-H"	44.97116
"186583"	703.193818	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+2Na"	45.978436
"626874"	1043.296118	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+2Na"	45.978436
"1128557"	363.091518	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2Na"	45.978436
"1412808"	242.396770666667	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H+2Na"	46.985712
"1444196"	727.217346	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H+HCOOH"	47.012746
"234255"	708.22684	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+3H2O+2H"	56.04448
"1514299"	741.26939	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+IsoProp+H"	61.06479
"416171"	711.180788	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+Na+K"	61.952376
"776073"	1051.283088	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+Na+K"	61.952376
"1671311"	371.078488	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Na+K"	61.952376
"253819"	1424.424968	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+ACN+Na"	64.015768
"1226526"	744.220368	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+ACN+Na"	64.015768
"1714325"	744.243893	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+NH4+HCOOH"	64.039293
"1180403"	249.724084666667	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+3Na"	68.967654
"1652847"	749.199288	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Na+HCOOH"	68.994688
"163729"	1437.32824	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+2K-H"	76.91904
"603288"	2117.53284	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+2K-H"	76.91904
"1086704"	757.12364	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2K-H"	76.91904
"154460"	719.167758	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"2M+2K"	77.926316
"588552"	1059.270058	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"3M+2K"	77.926316
"1075251"	379.065458	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2K"	77.926316
"1111744"	759.138192	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2K+H"	78.933592
"1344848"	759.225807	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+DMSO+H"	79.021207
"1016657"	763.264976	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2ACN+H"	83.060376
"1534789"	764.258608	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+IsoProp+Na+H"	84.054008
"1003423"	382.136126	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+2ACN+2H"	84.067652
"1599020"	765.173228	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+K+HCOOH"	84.968628
"1426867"	795.204738	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+H+CF3COOH"	115.000138
"1156062"	402.649401	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+3ACN+2H"	125.094202
"1709991"	812.231285	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+NH4+CF3COOH"	132.026685
"1639079"	817.18668	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+Na+CF3COOH"	136.98208
"1583477"	833.16062	"C10249"	"Canaliculatol"	"C42H32O9"	"680.2046"	"M+K+CF3COOH"	152.95602
"804001"	380.1988	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M"	0
"974617"	361.18041	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-H2O-H"	-19.01839
"73432"	252.458590666667	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M-3H"	-3.021828
"512991"	379.191524	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M-3H"	-3.021828
"887513"	125.725657333333	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-3H"	-3.021828
"13747"	379.191524	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M-2H"	-2.014552
"451119"	569.290924	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M-2H"	-2.014552
"828919"	189.092124	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-2H"	-2.014552
"81255"	759.390324	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M-H"	-1.007276
"527381"	1139.589124	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M-H"	-1.007276
"898986"	379.191524	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-H"	-1.007276
"48986"	776.416871	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M-2H+NH4"	16.019271
"494744"	1156.615671	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M-2H+NH4"	16.019271
"868175"	396.218071	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-2H+NH4"	16.019271
"39355"	781.372266	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M-2H+Na"	20.974666
"478920"	1161.571066	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M-2H+Na"	20.974666
"853442"	401.173466	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-2H+Na"	20.974666
"1625167"	401.173466	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Na-2H"	20.974666
"103879"	397.179863	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M-H+Cl"	33.962126
"541251"	587.279263	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M-H+Cl"	33.962126
"930390"	207.080463	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-H+Cl"	33.962126
"269678"	795.367002	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+Cl"	34.969402
"664288"	1175.565802	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+Cl"	34.969402
"1275599"	415.168202	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Cl"	34.969402
"16242"	797.346206	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M-2H+K"	36.948606
"464648"	1177.545006	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M-2H+K"	36.948606
"838076"	417.147406	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-2H+K"	36.948606
"1565938"	417.147406	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+K-2H"	36.948606
"957350"	425.196994	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-H+HCOOH"	44.998194
"368761"	805.395801	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+HCOOH-H"	44.998201
"357018"	819.411451	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+Hac-H"	59.013851
"1500383"	439.212651	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Hac-H"	59.013851
"965740"	447.178951	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-H+NaCOOH"	66.980151
"117929"	415.168202	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+2Cl"	69.938804
"559677"	605.267602	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+2Cl"	69.938804
"1023007"	225.068802	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2Cl"	69.938804
"1245865"	459.117685	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Br"	78.918885
"1311596"	461.173672	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Cl+HCOOH"	80.974872
"1329092"	483.155629	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Cl+NaCOOH"	102.956829
"920150"	493.184386	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M-H+CF3COOH"	112.985586
"1301236"	529.161064	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Cl+CF3COOH"	148.962264
"1377212"	345.186124	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H-2H2O"	-35.012676
"1397868"	363.1961	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H-H2O"	-17.0027
"291115"	761.404876	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+H"	1.007276
"687910"	1141.603676	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+H"	1.007276
"1358790"	381.206076	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H"	1.007276
"127666"	381.206076	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+2H"	2.014552
"566614"	571.305476	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+2H"	2.014552
"1038940"	191.106676	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2H"	2.014552
"205014"	254.473142666667	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+3H"	3.021828
"644378"	381.206076	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+3H"	3.021828
"1162787"	127.740209333333	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+3H"	3.021828
"425599"	778.431423	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+NH4"	18.033823
"786361"	1158.630223	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+NH4"	18.033823
"1682936"	398.232623	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+NH4"	18.033823
"330969"	389.7193495	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+H+NH4"	19.041099
"726186"	579.8187495	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+H+NH4"	19.041099
"1480736"	199.6199495	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H+NH4"	19.041099
"403801"	783.386818	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+Na"	22.989218
"769625"	1163.585618	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+Na"	22.989218
"1616553"	403.188018	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Na"	22.989218
"327317"	392.197047	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+H+Na"	23.996494
"719615"	582.296447	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+H+Na"	23.996494
"1475379"	202.097647	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H+Na"	23.996494
"1065707"	135.067523333333	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2H+Na"	25.00377
"1267386"	413.232286	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+CH3OH+H"	33.033486
"387054"	799.360758	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+K"	38.963158
"749146"	1179.559558	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+K"	38.963158
"1550835"	419.161958	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+K"	38.963158
"311655"	400.184017	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+H+K"	39.970434
"704439"	590.283417	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+H+K"	39.970434
"1457894"	210.084617	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H+K"	39.970434
"243215"	802.431426	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+ACN+H"	42.033826
"1221760"	422.232626	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+ACN+H"	42.033826
"1206374"	211.619951	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+ACN+2H"	43.041102
"199246"	805.36876	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+2Na-H"	44.97116
"642088"	1185.56756	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+2Na-H"	44.97116
"1144863"	425.16996	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2Na-H"	44.97116
"185965"	403.188018	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+2Na"	45.978436
"626255"	593.287418	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+2Na"	45.978436
"1129759"	213.088618	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2Na"	45.978436
"1412190"	142.394837333333	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H+2Na"	46.985712
"1443213"	427.211546	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H+HCOOH"	47.012746
"232908"	408.22104	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+3H2O+2H"	56.04448
"1513316"	441.26359	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+IsoProp+H"	61.06479
"417376"	411.174988	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+Na+K"	61.952376
"778370"	601.274388	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+Na+K"	61.952376
"1671421"	221.075588	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Na+K"	61.952376
"252835"	824.413368	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+ACN+Na"	64.015768
"1225635"	444.214568	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+ACN+Na"	64.015768
"1714428"	444.238093	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+NH4+HCOOH"	64.039293
"1179420"	149.722151333333	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+3Na"	68.967654
"1652228"	449.193488	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Na+HCOOH"	68.994688
"162746"	837.31664	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+2K-H"	76.91904
"603398"	1217.51544	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+2K-H"	76.91904
"1086814"	457.11784	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2K-H"	76.91904
"151290"	419.161958	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"2M+2K"	77.926316
"588662"	609.261358	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"3M+2K"	77.926316
"1076454"	229.062558	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2K"	77.926316
"1111854"	459.132392	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2K+H"	78.933592
"1342771"	459.220007	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+DMSO+H"	79.021207
"1012394"	463.259176	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2ACN+H"	83.060376
"1535991"	464.252808	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+IsoProp+Na+H"	84.054008
"1003533"	232.133226	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+2ACN+2H"	84.067652
"1599130"	465.167428	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+K+HCOOH"	84.968628
"1426977"	495.198938	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+H+CF3COOH"	115.000138
"1156172"	252.646501	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+3ACN+2H"	125.094202
"1707912"	512.225485	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+NH4+CF3COOH"	132.026685
"1639189"	517.18088	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+Na+CF3COOH"	136.98208
"1583587"	533.15482	"C10250"	"Chlorophorin"	"C24H28O4"	"380.1988"	"M+K+CF3COOH"	152.95602
"804111"	300.0998	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M"	0
"974604"	281.08141	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"74635"	199.059257333333	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"512008"	299.092524	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"888716"	99.0259906666667	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"13857"	299.092524	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"451229"	449.142424	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"827936"	149.042624	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"83552"	599.192324	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"524211"	899.292124	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"898732"	299.092524	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"48732"	616.218871	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"494854"	916.318671	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"868285"	316.119071	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"35092"	621.174266	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"479030"	921.274066	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"853552"	321.074466	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1626369"	321.074466	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"102896"	317.080863	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"540268"	467.130763	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"928677"	167.030963	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"270153"	635.169002	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"661360"	935.268802	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1273152"	335.069202	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"15821"	637.148206	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"455679"	937.248006	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"838186"	337.048406	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1557661"	337.048406	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"952842"	345.097994	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"368870"	645.197801	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"353848"	659.213451	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1500493"	359.113651	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"965850"	367.079951	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"118038"	335.069202	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"559787"	485.119102	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1022024"	185.019302	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1243423"	379.018685	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1311706"	381.074672	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1329202"	403.056629	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"920260"	413.085386	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1301346"	449.062064	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1376229"	265.087124	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1396885"	283.0971	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"291225"	601.206876	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"685834"	901.306676	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1358900"	301.107076	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"125954"	301.107076	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"566480"	451.156976	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1038322"	151.057176	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"206218"	201.073809333333	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"644518"	301.107076	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1163052"	101.040542666667	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"424861"	618.233423	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"786106"	918.333223	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1686326"	318.133623	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"332417"	309.6203495	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"727026"	459.6702495	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1480846"	159.5704495	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"406096"	623.188818	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"768558"	923.288618	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1613017"	323.089018	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"324145"	312.098047	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"714379"	462.147947	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1471478"	162.048147	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1062536"	108.367856666667	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1265309"	333.133286	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"388255"	639.162758	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"743788"	939.262558	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1550214"	339.062958	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"310670"	320.085017	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"701997"	470.134917	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1458004"	170.035117	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"238952"	642.233426	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1221140"	342.133626	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1204296"	171.570451	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"198989"	645.17076	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"631262"	945.27056	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1141329"	345.07096	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"182430"	323.089018	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"620898"	473.138918	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1122579"	173.039118	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1405738"	115.695170666667	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1435667"	347.112546	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"229734"	328.12204	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1509410"	361.16459	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"409341"	331.075988	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"771426"	481.125888	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1665852"	181.026088	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"252088"	664.215368	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1226498"	364.115568	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1713075"	364.139093	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1179163"	123.022484666667	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1650230"	369.094488	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"162855"	677.11864	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"600228"	977.21844	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1085222"	377.01884	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"149213"	339.062958	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"588772"	489.112858	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1076564"	189.013058	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1112936"	379.033392	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1342881"	379.121007	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1013596"	383.160176	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1535008"	384.153808	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"999268"	192.083726	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1592678"	385.068428	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1423803"	415.099938	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1154093"	212.597001	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1708022"	432.126485	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1639299"	437.08188	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1583697"	453.05582	"C10251"	"Coelogin"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"805315"	680.2046	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M"	0
"984315"	661.18621	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-H2O-H"	-19.01839
"77907"	452.462457333333	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M-3H"	-3.021828
"516494"	679.197324	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M-3H"	-3.021828
"894299"	225.727590666667	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-3H"	-3.021828
"13967"	679.197324	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M-2H"	-2.014552
"453525"	1019.299624	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M-2H"	-2.014552
"830233"	339.095024	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-2H"	-2.014552
"86942"	1359.401924	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M-H"	-1.007276
"524321"	2039.606524	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M-H"	-1.007276
"898842"	679.197324	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-H"	-1.007276
"49935"	1376.428471	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M-2H+NH4"	16.019271
"494964"	2056.633071	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M-2H+NH4"	16.019271
"867302"	696.223871	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-2H+NH4"	16.019271
"35202"	1381.383866	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M-2H+Na"	20.974666
"479140"	2061.588466	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M-2H+Na"	20.974666
"854755"	701.179266	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-2H+Na"	20.974666
"1623200"	701.179266	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Na-2H"	20.974666
"103006"	697.185663	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M-H+Cl"	33.962126
"542564"	1037.287963	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M-H+Cl"	33.962126
"929516"	357.083363	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-H+Cl"	33.962126
"270263"	1395.378602	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+Cl"	34.969402
"660733"	2075.583202	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+Cl"	34.969402
"1273630"	715.174002	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Cl"	34.969402
"15822"	1397.357806	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M-2H+K"	36.948606
"457208"	2077.562406	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M-2H+K"	36.948606
"837202"	717.153206	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-2H+K"	36.948606
"1556677"	717.153206	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+K-2H"	36.948606
"945290"	725.202794	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-H+HCOOH"	44.998194
"361598"	1405.407401	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+HCOOH-H"	44.998201
"348490"	1419.423051	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+Hac-H"	59.013851
"1495135"	739.218451	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Hac-H"	59.013851
"960854"	747.184751	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-H+NaCOOH"	66.980151
"115958"	715.174002	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+2Cl"	69.938804
"552605"	1055.276302	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+2Cl"	69.938804
"1024317"	375.071702	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2Cl"	69.938804
"1244624"	759.123485	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Br"	78.918885
"1309629"	761.179472	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Cl+HCOOH"	80.974872
"1328219"	783.161429	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Cl+NaCOOH"	102.956829
"921463"	793.190186	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M-H+CF3COOH"	112.985586
"1302428"	829.166864	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Cl+CF3COOH"	148.962264
"1374152"	645.191924	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H-2H2O"	-35.012676
"1394929"	663.2019	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H-H2O"	-17.0027
"292428"	1361.416476	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+H"	1.007276
"687037"	2041.621076	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+H"	1.007276
"1359010"	681.211876	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H"	1.007276
"128615"	681.211876	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+2H"	2.014552
"568535"	1021.314176	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+2H"	2.014552
"1039887"	341.109576	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2H"	2.014552
"205234"	454.477009333333	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+3H"	3.021828
"644547"	681.211876	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+3H"	3.021828
"1163074"	227.742142666667	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+3H"	3.021828
"424480"	1378.443023	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+NH4"	18.033823
"785804"	2058.647623	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+NH4"	18.033823
"1682303"	698.238423	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+NH4"	18.033823
"332527"	689.7251495	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+H+NH4"	19.041099
"723246"	1029.8274495	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+H+NH4"	19.041099
"1480956"	349.6228495	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H+NH4"	19.041099
"406207"	1383.398418	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+Na"	22.989218
"769400"	2063.603018	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+Na"	22.989218
"1613855"	703.193818	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Na"	22.989218
"324256"	692.202847	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+H+Na"	23.996494
"716675"	1032.305147	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+H+Na"	23.996494
"1472682"	352.100547	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H+Na"	23.996494
"1063739"	235.069456666667	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2H+Na"	25.00377
"1266513"	713.238086	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+CH3OH+H"	33.033486
"386178"	1399.372358	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+K"	38.963158
"747177"	2079.576958	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+K"	38.963158
"1552877"	719.167758	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+K"	38.963158
"310777"	700.189817	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+H+K"	39.970434
"704292"	1040.292117	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+H+K"	39.970434
"1458112"	360.087517	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H+K"	39.970434
"237239"	1402.443026	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+ACN+H"	42.033826
"1220158"	722.238426	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+ACN+H"	42.033826
"1202220"	361.622851	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+ACN+2H"	43.041102
"199463"	1405.38036	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+2Na-H"	44.97116
"640118"	2085.58496	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+2Na-H"	44.97116
"1138157"	725.17576	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2Na-H"	44.97116
"180353"	703.193818	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+2Na"	45.978436
"621008"	1043.296118	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+2Na"	45.978436
"1121594"	363.091518	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2Na"	45.978436
"1404755"	242.396770666667	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H+2Na"	46.985712
"1432495"	727.217346	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H+HCOOH"	47.012746
"226564"	708.22684	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+3H2O+2H"	56.04448
"1508956"	741.26939	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+IsoProp+H"	61.06479
"409938"	711.180788	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+Na+K"	61.952376
"770065"	1051.283088	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+Na+K"	61.952376
"1665756"	371.078488	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Na+K"	61.952376
"251487"	1424.424968	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+ACN+Na"	64.015768
"1225791"	744.220368	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+ACN+Na"	64.015768
"1713546"	744.243893	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+NH4+HCOOH"	64.039293
"1179026"	249.724084666667	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+3Na"	68.967654
"1650091"	749.199288	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Na+HCOOH"	68.994688
"161871"	1437.32824	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+2K-H"	76.91904
"600337"	2117.53284	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+2K-H"	76.91904
"1086302"	757.12364	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2K-H"	76.91904
"149322"	719.167758	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"2M+2K"	77.926316
"585601"	1059.270058	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"3M+2K"	77.926316
"1071205"	379.065458	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2K"	77.926316
"1102591"	759.138192	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2K+H"	78.933592
"1345177"	759.225807	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+DMSO+H"	79.021207
"1016989"	763.264976	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2ACN+H"	83.060376
"1532932"	764.258608	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+IsoProp+Na+H"	84.054008
"993911"	382.136126	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+2ACN+2H"	84.067652
"1589507"	765.173228	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+K+HCOOH"	84.968628
"1420635"	795.204738	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+H+CF3COOH"	115.000138
"1154203"	402.649401	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+3ACN+2H"	125.094202
"1710320"	812.231285	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+NH4+CF3COOH"	132.026685
"1645970"	817.18668	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+Na+CF3COOH"	136.98208
"1583807"	833.16062	"C10252"	"Copalliferol B"	"C42H32O9"	"680.2046"	"M+K+CF3COOH"	152.95602
"814173"	230.0943	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M"	0
"989898"	211.07591	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"78474"	152.388924	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"518495"	229.087024	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"895139"	75.690824	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"14077"	229.087024	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"451448"	344.134174	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"828155"	114.039874	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"85959"	459.181324	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"527711"	689.275624	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"898952"	229.087024	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"51139"	476.207871	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"495074"	706.302171	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"866561"	246.113571	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"37499"	481.163266	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"473295"	711.257566	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"853772"	251.068966	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1631692"	251.068966	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"102022"	247.075363	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"540487"	362.122513	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"931813"	132.028213	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"270737"	495.158002	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"662794"	725.252302	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1282127"	265.063702	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"25048"	497.137206	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"461692"	727.231506	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"838041"	267.042906	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1564081"	267.042906	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"948684"	275.092494	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"362887"	505.186801	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"346290"	519.202451	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1497432"	289.108151	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"961693"	297.074451	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"118254"	265.063702	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"554538"	380.110852	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1028805"	150.016552	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1249476"	309.013185	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1313019"	311.069172	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1332704"	333.051129	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"925948"	343.079886	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1303391"	379.056564	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1377542"	195.081624	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1395039"	213.0916	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"292538"	461.195876	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"686053"	691.290176	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1362400"	231.101576	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"135287"	231.101576	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"569377"	346.148726	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1042550"	116.054426	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"204507"	154.403476	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"648917"	231.101576	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1163273"	77.705376	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"427034"	478.222423	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"789122"	708.316723	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1682293"	248.128123	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"332637"	239.6148495	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"723966"	354.6619995	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1483254"	124.5676995	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"406319"	483.177818	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"769145"	713.272118	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1617125"	253.083518	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"326553"	242.092547	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"721161"	357.139697	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1476072"	127.045397	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1064587"	85.03269	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1269905"	263.127786	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"386293"	499.151758	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"751665"	729.246058	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1552623"	269.057458	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"313082"	250.079517	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"705499"	365.126667	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1459318"	135.032367	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"246828"	502.222426	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1220632"	272.128126	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1205247"	136.567701	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"199576"	505.15976	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"640230"	735.25406	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1143738"	275.06546	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"184841"	253.083518	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"619659"	368.130668	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1124624"	138.036368	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1410335"	92.360004	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1438077"	277.107046	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"229956"	258.11654	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1516928"	291.15909	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"418800"	261.070488	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"775421"	376.117638	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1669566"	146.023338	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"253168"	524.204368	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1226239"	294.110068	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1713176"	294.133593	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1178574"	99.687318	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1651463"	299.088988	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"161982"	537.10764	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"600448"	767.20194	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1087145"	307.01334	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"148339"	269.057458	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"585711"	384.104608	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1072410"	154.010308	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1106713"	309.027892	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1346382"	309.115507	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1020017"	313.154676	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1534138"	314.148308	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"1000584"	157.080976	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1597273"	315.062928	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1425119"	345.094438	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1161604"	177.594251	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1710064"	362.120985	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1644987"	367.07638	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1583917"	383.05032	"C10253"	"Demethylbatatasin IV"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"804442"	214.0994	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M"	0
"984535"	195.08101	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"73873"	141.725657333333	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"513432"	213.092124	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"891234"	70.3591906666667	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"11633"	213.092124	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"451558"	320.141824	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"824984"	106.042424	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"87162"	427.191524	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"526728"	641.290924	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"899062"	213.092124	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"51249"	444.218071	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"495184"	658.317471	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"866429"	230.118671	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"37609"	449.173466	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"476080"	663.272866	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"849993"	235.074066	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1633625"	235.074066	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"104319"	231.080463	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"539504"	338.130163	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"931924"	124.030763	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"270118"	463.168202	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"661079"	677.267602	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1277133"	249.068802	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"24433"	465.147406	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"463992"	679.246806	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"837787"	251.048006	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1564191"	251.048006	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"952077"	259.097594	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"361905"	473.197001	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"346155"	487.212651	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1494261"	273.113251	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"958694"	281.079551	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"112896"	249.068802	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"551483"	356.118502	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1022344"	142.019102	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1243017"	293.018285	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1304860"	295.074272	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1320046"	317.056229	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"911596"	327.084986	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1299488"	363.061664	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1375461"	179.086724	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1386399"	197.0967	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"284992"	429.206076	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"679600"	643.305476	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1355219"	215.106676	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"132116"	215.106676	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"569487"	322.156376	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1037129"	108.056976	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"204508"	143.740209333333	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"644317"	215.106676	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1162854"	72.3737426666667	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"427144"	446.232623	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"785824"	660.332023	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1682283"	232.133223	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"331654"	223.6199495	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"723022"	330.6696495	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1482271"	116.5702495	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"407521"	451.188018	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"769499"	665.287418	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1617354"	237.088618	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"327758"	226.097647	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"719814"	333.147347	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1475818"	119.047947	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1065062"	79.7010566666667	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1270015"	247.132886	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"386403"	467.161958	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"750682"	681.261358	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1552732"	253.062558	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"313917"	234.084617	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"704515"	341.134317	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1459428"	127.034917	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"248030"	470.232626	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1220737"	256.133226	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1205721"	128.570251	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"200779"	473.16996	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"639247"	687.26936	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1143848"	259.07056	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"182764"	237.088618	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"619769"	344.138318	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1125826"	130.038918	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1411538"	87.0283706666667	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1438187"	261.112146	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"228973"	242.12164	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1517038"	275.16419	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"418910"	245.075588	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"774438"	352.125288	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1669676"	138.025888	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"254372"	492.214568	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1226352"	278.115168	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1712779"	278.138693	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1178528"	94.3556846666667	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1650073"	283.094088	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"162456"	505.11784	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"600558"	719.21724	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1085066"	291.01844	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"148449"	253.062558	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"583632"	360.112258	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1070086"	146.012858	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1105730"	293.032992	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1347585"	293.120607	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1019763"	297.159776	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1536434"	298.153408	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"998508"	149.083526	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1597383"	299.068028	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1423042"	329.099538	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1156610"	169.596801	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1710538"	346.126085	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1645097"	351.08148	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1584027"	367.05542	"C10254"	"Dihydropinosylvin"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"804552"	230.0943	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M"	0
"984281"	211.07591	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"75076"	152.388924	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"514635"	229.087024	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"889156"	75.690824	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"8826"	229.087024	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"450574"	344.134174	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"825094"	114.039874	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"87272"	459.181324	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"526838"	689.275624	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"899172"	229.087024	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"51359"	476.207871	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"495294"	706.302171	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"869819"	246.113571	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"37719"	481.163266	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"478377"	711.257566	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"850711"	251.068966	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1632765"	251.068966	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"102242"	247.075363	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"537428"	362.122513	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"933128"	132.028213	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"267675"	495.158002	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"660045"	725.252302	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1277243"	265.063702	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"25637"	497.137206	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"465197"	727.231506	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"837533"	267.042906	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1558468"	267.042906	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"952185"	275.092494	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"362382"	505.186801	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"347359"	519.202451	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1493764"	289.108151	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"958994"	297.074451	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"110818"	265.063702	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"550865"	380.110852	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1021602"	150.016552	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1241545"	309.013185	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1304887"	311.069172	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1320159"	333.051129	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"912314"	343.079886	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1298505"	379.056564	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1372291"	195.081624	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1388695"	213.0916	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"285102"	461.195876	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"677887"	691.290176	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1353871"	231.101576	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"128946"	231.101576	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"568503"	346.148726	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1037415"	116.054426	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"204301"	154.403476	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"644429"	231.101576	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1168356"	77.705376	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"424534"	478.222423	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"785743"	708.316723	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1681414"	248.128123	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"330465"	239.6148495	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"723167"	354.6619995	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1482381"	124.5676995	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"407267"	483.177818	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"767543"	713.272118	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1614546"	253.083518	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"327137"	242.092547	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"720286"	357.139697	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1475198"	127.045397	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1066993"	85.03269	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1270854"	263.127786	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"389792"	499.151758	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"749693"	729.246058	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1549556"	269.057458	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"308923"	250.079517	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"705718"	365.126667	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1455163"	135.032367	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"242673"	502.222426	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1221576"	272.128126	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1206924"	136.567701	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"199430"	505.15976	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"638264"	735.25406	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1144318"	275.06546	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"183967"	253.083518	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"618785"	368.130668	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1125935"	138.036368	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1408366"	92.360004	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1438297"	277.107046	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"230176"	258.11654	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1520427"	291.15909	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"417926"	261.070488	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"772361"	376.117638	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1671972"	146.023338	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"253388"	524.204368	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1226462"	294.110068	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1713280"	294.133593	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1178554"	99.687318	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1650957"	299.088988	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"162566"	537.10764	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"599575"	767.20194	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1085178"	307.01334	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"148559"	269.057458	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"583744"	384.104608	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1069346"	154.010308	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1103652"	309.027892	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1346602"	309.115507	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1016229"	313.154676	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1534357"	314.148308	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"999711"	157.080976	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1599681"	315.062928	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1426433"	345.094438	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1161093"	177.594251	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1704088"	362.120985	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1645207"	367.07638	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1584137"	383.05032	"C10255"	"Dihydroresveratrol"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"816329"	274.1205	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M"	0
"989495"	255.10211	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-H2O-H"	-19.01839
"78108"	181.739724	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M-3H"	-3.021828
"517788"	273.113224	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M-3H"	-3.021828
"893642"	90.366224	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-3H"	-3.021828
"8937"	273.113224	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M-2H"	-2.014552
"450682"	410.173474	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M-2H"	-2.014552
"827392"	136.052974	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-2H"	-2.014552
"88478"	547.233724	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M-H"	-1.007276
"521480"	821.354224	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M-H"	-1.007276
"899282"	273.113224	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-H"	-1.007276
"49281"	564.260271	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M-2H+NH4"	16.019271
"491025"	838.380771	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M-2H+NH4"	16.019271
"869929"	290.139771	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-2H+NH4"	16.019271
"37829"	569.215666	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M-2H+Na"	20.974666
"479580"	843.336166	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M-2H+Na"	20.974666
"851915"	295.095166	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-2H+Na"	20.974666
"1629105"	295.095166	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Na-2H"	20.974666
"99072"	291.101563	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M-H+Cl"	33.962126
"536809"	428.161813	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M-H+Cl"	33.962126
"928864"	154.041313	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-H+Cl"	33.962126
"267145"	583.210402	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+Cl"	34.969402
"660274"	857.330902	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+Cl"	34.969402
"1285987"	309.089902	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Cl"	34.969402
"25750"	585.189606	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M-2H+K"	36.948606
"464215"	859.310106	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M-2H+K"	36.948606
"837643"	311.069106	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-2H+K"	36.948606
"1564411"	311.069106	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+K-2H"	36.948606
"952295"	319.118694	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-H+HCOOH"	44.998194
"361502"	593.239201	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+HCOOH-H"	44.998201
"348200"	607.254851	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+Hac-H"	59.013851
"1494603"	333.134351	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Hac-H"	59.013851
"958899"	341.100651	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-H+NaCOOH"	66.980151
"110259"	309.089902	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+2Cl"	69.938804
"550605"	446.150152	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+2Cl"	69.938804
"1022201"	172.029652	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2Cl"	69.938804
"1241534"	353.039385	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Br"	78.918885
"1304468"	355.095372	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Cl+HCOOH"	80.974872
"1319966"	377.077329	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Cl+NaCOOH"	102.956829
"911479"	387.106086	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M-H+CF3COOH"	112.985586
"1299708"	423.082764	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Cl+CF3COOH"	148.962264
"1372401"	239.107824	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H-2H2O"	-35.012676
"1388805"	257.1178	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H-H2O"	-17.0027
"285212"	549.248276	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+H"	1.007276
"676538"	823.368776	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+H"	1.007276
"1352157"	275.127776	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H"	1.007276
"126990"	275.127776	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+2H"	2.014552
"569707"	412.188026	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+2H"	2.014552
"1039600"	138.067526	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2H"	2.014552
"204424"	183.754276	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+3H"	3.021828
"644309"	275.127776	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+3H"	3.021828
"1168467"	92.380776	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+3H"	3.021828
"426271"	566.274823	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+NH4"	18.033823
"787266"	840.395323	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+NH4"	18.033823
"1682624"	292.154323	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+NH4"	18.033823
"330249"	283.6410495	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+H+NH4"	19.041099
"723445"	420.7012995	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+H+NH4"	19.041099
"1482491"	146.5807995	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H+NH4"	19.041099
"407743"	571.230218	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+Na"	22.989218
"766924"	845.350718	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+Na"	22.989218
"1614657"	297.109718	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Na"	22.989218
"323603"	286.118747	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+H+Na"	23.996494
"718940"	423.178997	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+H+Na"	23.996494
"1474580"	149.058497	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H+Na"	23.996494
"1064916"	99.70809	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2H+Na"	25.00377
"1269139"	307.153986	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+CH3OH+H"	33.033486
"386620"	587.204158	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+K"	38.963158
"746521"	861.324658	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+K"	38.963158
"1549665"	313.083658	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+K"	38.963158
"307939"	294.105717	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+H+K"	39.970434
"701453"	431.165967	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+H+K"	39.970434
"1454179"	157.045467	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H+K"	39.970434
"243876"	590.274826	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+ACN+H"	42.033826
"1220592"	316.154326	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+ACN+H"	42.033826
"1205940"	158.580801	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+ACN+2H"	43.041102
"198810"	593.21216	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+2Na-H"	44.97116
"639102"	867.33266	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+2Na-H"	44.97116
"1143335"	319.09166	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2Na-H"	44.97116
"182983"	297.109718	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+2Na"	45.978436
"618895"	434.169968	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+2Na"	45.978436
"1124952"	160.049468	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2Na"	45.978436
"1409570"	107.035404	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H+2Na"	46.985712
"1438406"	321.133246	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H+HCOOH"	47.012746
"230286"	302.14274	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+3H2O+2H"	56.04448
"1518350"	335.18529	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+IsoProp+H"	61.06479
"416943"	305.096688	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+Na+K"	61.952376
"772471"	442.156938	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+Na+K"	61.952376
"1672081"	168.036438	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Na+K"	61.952376
"253861"	612.256768	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+ACN+Na"	64.015768
"1226572"	338.136268	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+ACN+Na"	64.015768
"1712841"	338.159793	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+NH4+HCOOH"	64.039293
"1179712"	114.362718	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+3Na"	68.967654
"1650214"	343.115188	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Na+HCOOH"	68.994688
"157926"	625.16004	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+2K-H"	76.91904
"600776"	899.28054	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+2K-H"	76.91904
"1085651"	351.03954	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2K-H"	76.91904
"143201"	313.083658	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"2M+2K"	77.926316
"584947"	450.143908	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"3M+2K"	77.926316
"1070911"	176.023408	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2K"	77.926316
"1103762"	353.054092	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2K+H"	78.933592
"1337962"	353.141707	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+DMSO+H"	79.021207
"1015245"	357.180876	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2ACN+H"	83.060376
"1534466"	358.174508	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+IsoProp+Na+H"	84.054008
"997635"	179.094076	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+2ACN+2H"	84.067652
"1598695"	359.089128	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+K+HCOOH"	84.968628
"1426543"	389.120638	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+H+CF3COOH"	115.000138
"1157923"	199.607351	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+3ACN+2H"	125.094202
"1705291"	406.147185	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+NH4+CF3COOH"	132.026685
"1639849"	411.10258	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+Na+CF3COOH"	136.98208
"1584247"	427.07652	"C10256"	"44-Dihydroxy-35-dimethoxydihydrostilbene"	"C16H18O4"	"274.1205"	"M+K+CF3COOH"	152.95602
"814612"	242.0943	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M"	0
"988148"	223.07591	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"78384"	160.388924	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"517411"	241.087024	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"893751"	79.690824	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"13059"	241.087024	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"446418"	362.134174	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"827502"	120.039874	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"87494"	483.181324	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"521590"	725.275624	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"899393"	241.087024	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"48903"	500.207871	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"487733"	742.302171	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"870039"	258.113571	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"35753"	505.163266	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"478596"	747.257566	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"850566"	263.068966	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1629215"	263.068966	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"99182"	259.075363	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"537649"	380.122513	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"928974"	138.028213	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"267763"	519.158002	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"660587"	761.252302	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1287193"	277.063702	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"29018"	521.137206	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"466511"	763.231506	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"837753"	279.042906	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1564521"	279.042906	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"948032"	287.092494	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"368439"	529.186801	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"349042"	543.202451	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1497873"	301.108151	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"963228"	309.074451	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"116509"	277.063702	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"550967"	398.110852	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1022317"	156.016552	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1245542"	321.013185	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1310177"	323.069172	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1323665"	345.051129	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"912172"	355.079886	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1292163"	391.056564	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1375793"	207.081624	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1388918"	225.0916	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"285323"	485.195876	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"689773"	727.290176	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1359560"	243.101576	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"130260"	243.101576	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"567630"	364.148726	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1040803"	122.054426	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"204936"	162.403476	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"644245"	243.101576	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1168577"	81.705376	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"427475"	502.222423	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"786404"	744.316723	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1681758"	260.128123	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"330159"	251.6148495	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"723555"	372.6619995	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1477494"	130.5676995	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"407850"	507.177818	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"767760"	749.272118	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1616954"	265.083518	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"329542"	254.092547	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"721843"	375.139697	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1475417"	133.045397	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1066119"	89.03269	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1271435"	275.127786	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"388916"	523.151758	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"749910"	765.246058	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1550868"	281.057458	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"313393"	262.079517	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"703748"	383.126667	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1457204"	141.032367	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"248358"	526.222426	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1219972"	284.128126	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1200574"	142.567701	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"196734"	529.15976	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"638483"	771.25406	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1143079"	287.06546	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"180905"	265.083518	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"620464"	386.130668	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1123968"	144.036368	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1405307"	96.360004	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1438516"	289.107046	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"227116"	270.11654	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1512992"	303.15909	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"412678"	273.070488	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"770635"	394.117638	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1667090"	152.023338	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"251567"	548.204368	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1225748"	306.110068	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1712828"	306.133593	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1179090"	103.687318	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1650807"	311.088988	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"157792"	561.10764	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"600155"	803.20194	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1085395"	319.01334	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"143311"	281.057458	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"585057"	402.104608	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1069927"	160.010308	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1104966"	321.027892	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1341352"	321.115507	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1013166"	325.154676	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1534576"	326.148308	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"1001022"	163.080976	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1598805"	327.062928	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1421182"	357.094438	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1158033"	183.594251	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1705401"	374.120985	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1639959"	379.07638	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1584357"	395.05032	"C10257"	"47-Dihydroxy-2-methoxy-910-dihydrophenanthrene"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"815819"	240.0786	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M"	0
"989350"	221.06021	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"78285"	159.045124	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"517160"	239.071324	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"893865"	79.018924	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"13898"	239.071324	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"453090"	359.110624	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"827613"	119.032024	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"87604"	479.149924	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"520607"	719.228524	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"896705"	239.071324	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"48162"	496.176471	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"489062"	736.255071	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"875618"	256.097871	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"43516"	501.131866	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"477613"	741.210466	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"854322"	261.053266	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1630419"	261.053266	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"101479"	257.059663	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"541038"	377.098963	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"936739"	137.020363	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"268370"	515.126602	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"662251"	755.205202	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1286572"	275.048002	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"29247"	517.105806	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"463342"	757.184406	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"837863"	277.027206	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1564630"	277.027206	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"945954"	285.076794	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"369642"	525.155401	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"351339"	539.171051	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1500170"	299.092451	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"965526"	307.058751	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"117713"	275.048002	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"550346"	395.087302	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1021695"	155.008702	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1245652"	318.997485	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1310287"	321.053472	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1323411"	343.035429	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"912282"	353.064186	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1290451"	389.040864	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1375903"	205.065924	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1389028"	223.0759	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"285433"	481.164476	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"688426"	721.243076	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1359670"	241.085876	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"132557"	241.085876	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"567742"	361.125176	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1039820"	121.046576	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"209908"	161.059676	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"650565"	241.085876	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1170875"	81.033476	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"429775"	498.191023	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"791861"	738.269623	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1682725"	258.112423	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"334282"	249.5991495	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"724881"	369.6384495	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1477848"	129.5598495	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"406867"	503.146418	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"768235"	743.225018	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1618039"	263.067818	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"329285"	252.076847	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"721706"	372.116147	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1475527"	132.037547	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1066593"	88.36079	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1271545"	273.112086	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"387933"	519.120358	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"750020"	759.198958	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1549887"	279.041758	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"313627"	260.063817	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"706290"	380.103117	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1456585"	140.024517	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"247374"	522.191026	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1222269"	282.112426	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1206881"	141.559851	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"196844"	525.12836	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"639321"	765.20696	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1143189"	285.04976	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"183198"	263.067818	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"620574"	383.107118	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1125172"	143.028518	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1406510"	95.688104	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1438626"	287.091346	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"227226"	268.10084	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1512009"	301.14339	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"410478"	271.054788	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"771720"	391.094088	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1666836"	151.015488	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"251774"	544.172968	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1226139"	304.094368	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1714091"	304.117893	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1181388"	103.015418	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1653467"	309.073288	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"158753"	557.07624	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"599536"	797.15484	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1085381"	316.99764	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"145608"	279.041758	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"584074"	399.081058	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1070402"	159.002458	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1103983"	319.012192	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1343652"	319.099807	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1015463"	323.138976	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1532501"	324.132608	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"997855"	162.073126	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1598918"	325.047228	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1427856"	355.078738	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1158143"	182.586401	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1702232"	372.105285	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1640070"	377.06068	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1584467"	393.03462	"C10258"	"Flavidin;910-Dihydro-5H-phenanthro45-bcdpyran-27-diol"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"813739"	298.1569	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M"	0
"989096"	279.13851	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-H2O-H"	-19.01839
"77706"	197.763990666667	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M-3H"	-3.021828
"516902"	297.149624	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M-3H"	-3.021828
"892882"	98.3783573333333	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-3H"	-3.021828
"13644"	297.149624	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M-2H"	-2.014552
"451013"	446.228074	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M-2H"	-2.014552
"822257"	148.071174	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-2H"	-2.014552
"89902"	595.306524	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M-H"	-1.007276
"521810"	893.463424	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M-H"	-1.007276
"897424"	297.149624	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-H"	-1.007276
"50705"	612.333071	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M-2H+NH4"	16.019271
"491359"	910.489971	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M-2H+NH4"	16.019271
"874634"	314.176171	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-2H+NH4"	16.019271
"41439"	617.288466	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M-2H+Na"	20.974666
"474443"	915.445366	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M-2H+Na"	20.974666
"856618"	319.131566	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-2H+Na"	20.974666
"1630529"	319.131566	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Na-2H"	20.974666
"100495"	315.137963	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M-H+Cl"	33.962126
"541148"	464.216413	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M-H+Cl"	33.962126
"933569"	166.059513	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-H+Cl"	33.962126
"268359"	631.283202	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+Cl"	34.969402
"662725"	929.440102	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+Cl"	34.969402
"1286682"	333.126302	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Cl"	34.969402
"27170"	633.262406	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M-2H+K"	36.948606
"463451"	931.419306	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M-2H+K"	36.948606
"836878"	335.105506	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-2H+K"	36.948606
"1564740"	335.105506	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+K-2H"	36.948606
"946064"	343.155094	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-H+HCOOH"	44.998194
"370845"	641.312001	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+HCOOH-H"	44.998201
"352541"	655.327651	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+Hac-H"	59.013851
"1498092"	357.170751	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Hac-H"	59.013851
"968551"	365.137051	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-H+NaCOOH"	66.980151
"121833"	333.126302	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+2Cl"	69.938804
"550213"	482.204752	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+2Cl"	69.938804
"1030557"	184.047852	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2Cl"	69.938804
"1250138"	377.075785	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Br"	78.918885
"1314772"	379.131772	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Cl+HCOOH"	80.974872
"1326801"	401.113729	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Cl+NaCOOH"	102.956829
"922233"	411.142486	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M-H+CF3COOH"	112.985586
"1303977"	447.119164	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Cl+CF3COOH"	148.962264
"1372733"	263.144224	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H-2H2O"	-35.012676
"1395699"	281.1542	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H-H2O"	-17.0027
"293198"	597.321076	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+H"	1.007276
"689265"	895.477976	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+H"	1.007276
"1359780"	299.164176	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H"	1.007276
"132667"	299.164176	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+2H"	2.014552
"568216"	448.242626	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+2H"	2.014552
"1039930"	150.085726	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2H"	2.014552
"211111"	199.778542666667	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+3H"	3.021828
"653954"	299.164176	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+3H"	3.021828
"1172078"	100.392909333333	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+3H"	3.021828
"433164"	614.347623	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+NH4"	18.033823
"789784"	912.504523	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+NH4"	18.033823
"1682835"	316.190723	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+NH4"	18.033823
"334392"	307.6774495	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+H+NH4"	19.041099
"724627"	456.7558995	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+H+NH4"	19.041099
"1477308"	158.5989995	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H+NH4"	19.041099
"404791"	619.303018	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+Na"	22.989218
"764699"	917.459918	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+Na"	22.989218
"1608423"	321.146118	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Na"	22.989218
"322833"	310.155147	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+H+Na"	23.996494
"718536"	459.233597	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+H+Na"	23.996494
"1464701"	161.076697	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H+Na"	23.996494
"1059040"	107.720223333333	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2H+Na"	25.00377
"1267280"	331.190386	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+CH3OH+H"	33.033486
"389865"	635.276958	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+K"	38.963158
"751956"	933.433858	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+K"	38.963158
"1549998"	337.120058	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+K"	38.963158
"312644"	318.142117	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+H+K"	39.970434
"705791"	467.220567	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+H+K"	39.970434
"1456331"	169.063667	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H+K"	39.970434
"247485"	638.347626	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+ACN+H"	42.033826
"1222747"	340.190726	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+ACN+H"	42.033826
"1206263"	170.599001	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+ACN+2H"	43.041102
"199140"	641.28496	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+2Na-H"	44.97116
"639066"	939.44186	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+2Na-H"	44.97116
"1143299"	343.12806	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2Na-H"	44.97116
"182214"	321.146118	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+2Na"	45.978436
"621777"	470.224568	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+2Na"	45.978436
"1125282"	172.067668	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2Na"	45.978436
"1407713"	115.047537333333	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H+2Na"	46.985712
"1437643"	345.169646	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H+HCOOH"	47.012746
"225149"	326.17914	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+3H2O+2H"	56.04448
"1512119"	359.22169	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+IsoProp+H"	61.06479
"410711"	329.133088	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+Na+K"	61.952376
"771099"	478.211538	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+Na+K"	61.952376
"1666579"	180.054638	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Na+K"	61.952376
"252490"	660.329568	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+ACN+Na"	64.015768
"1226288"	362.172668	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+ACN+Na"	64.015768
"1713714"	362.196193	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+NH4+HCOOH"	64.039293
"1180771"	122.374851333333	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+3Na"	68.967654
"1652486"	367.151588	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Na+HCOOH"	68.994688
"158254"	673.23284	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+2K-H"	76.91904
"599282"	971.38974	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+2K-H"	76.91904
"1087073"	375.07594	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2K-H"	76.91904
"148998"	337.120058	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"2M+2K"	77.926316
"583330"	486.198508	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"3M+2K"	77.926316
"1077445"	188.041608	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2K"	77.926316
"1104093"	377.090492	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2K+H"	78.933592
"1345585"	377.178107	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+DMSO+H"	79.021207
"1016665"	381.217276	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2ACN+H"	83.060376
"1530425"	382.210908	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+IsoProp+Na+H"	84.054008
"996872"	191.112276	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+2ACN+2H"	84.067652
"1599028"	383.125528	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+K+HCOOH"	84.968628
"1427966"	413.157038	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+H+CF3COOH"	115.000138
"1158253"	211.625551	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+3ACN+2H"	125.094202
"1706716"	430.183585	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+NH4+CF3COOH"	132.026685
"1640180"	435.13898	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+Na+CF3COOH"	136.98208
"1584577"	451.11292	"C10259"	"Glepidotin C"	"C19H22O3"	"298.1569"	"M+K+CF3COOH"	152.95602
"813849"	454.1416	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M"	0
"989207"	435.12321	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-H2O-H"	-19.01839
"77939"	301.753790666667	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M-3H"	-3.021828
"518106"	453.134324	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M-3H"	-3.021828
"892629"	150.373257333333	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-3H"	-3.021828
"13753"	453.134324	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M-2H"	-2.014552
"453677"	680.205124	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M-2H"	-2.014552
"819087"	226.063524	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-2H"	-2.014552
"90013"	907.275924	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M-H"	-1.007276
"520827"	1361.417524	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M-H"	-1.007276
"896441"	453.134324	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-H"	-1.007276
"51908"	924.302471	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M-2H+NH4"	16.019271
"490376"	1378.444071	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M-2H+NH4"	16.019271
"873651"	470.160871	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-2H+NH4"	16.019271
"41549"	929.257866	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M-2H+Na"	20.974666
"476740"	1383.399466	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M-2H+Na"	20.974666
"852354"	475.116266	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-2H+Na"	20.974666
"1630275"	475.116266	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Na-2H"	20.974666
"99512"	471.122663	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M-H+Cl"	33.962126
"540165"	698.193463	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M-H+Cl"	33.962126
"933680"	244.051863	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-H+Cl"	33.962126
"268591"	943.252602	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+Cl"	34.969402
"664294"	1397.394202	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+Cl"	34.969402
"1280346"	489.111002	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Cl"	34.969402
"26185"	945.231806	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M-2H+K"	36.948606
"465748"	1399.373406	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M-2H+K"	36.948606
"838083"	491.090206	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-2H+K"	36.948606
"1558291"	491.090206	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+K-2H"	36.948606
"949456"	499.139794	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-H+HCOOH"	44.998194
"374236"	953.281401	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+HCOOH-H"	44.998201
"357024"	967.297051	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+Hac-H"	59.013851
"1503670"	513.155451	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Hac-H"	59.013851
"968661"	521.121751	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-H+NaCOOH"	66.980151
"124130"	489.111002	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+2Cl"	69.938804
"554213"	716.181802	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+2Cl"	69.938804
"1029574"	262.040202	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2Cl"	69.938804
"1250248"	533.060485	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Br"	78.918885
"1312696"	535.116472	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Cl+HCOOH"	80.974872
"1330191"	557.098429	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Cl+NaCOOH"	102.956829
"921251"	567.127186	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M-H+CF3COOH"	112.985586
"1301246"	603.103864	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Cl+CF3COOH"	148.962264
"1380498"	419.128924	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H-2H2O"	-35.012676
"1393623"	437.1389	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H-H2O"	-17.0027
"290028"	909.290476	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+H"	1.007276
"684636"	1363.432076	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+H"	1.007276
"1364265"	455.148876	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H"	1.007276
"130592"	455.148876	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+2H"	2.014552
"569421"	682.219676	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+2H"	2.014552
"1044415"	228.078076	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2H"	2.014552
"210128"	303.768342666667	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+3H"	3.021828
"652970"	455.148876	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+3H"	3.021828
"1171095"	152.387809333333	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+3H"	3.021828
"432181"	926.317023	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+NH4"	18.033823
"789894"	1380.458623	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+NH4"	18.033823
"1686225"	472.175423	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+NH4"	18.033823
"335596"	463.6621495	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+H+NH4"	19.041099
"725101"	690.7329495	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+H+NH4"	19.041099
"1485118"	236.5913495	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H+NH4"	19.041099
"400525"	931.272418	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+Na"	22.989218
"759341"	1385.414018	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+Na"	22.989218
"1607438"	477.130818	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Na"	22.989218
"317475"	466.139847	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+H+Na"	23.996494
"718646"	693.210647	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+H+Na"	23.996494
"1464811"	239.069047	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H+Na"	23.996494
"1058057"	159.715123333333	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2H+Na"	25.00377
"1266297"	487.175086	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+CH3OH+H"	33.033486
"389246"	947.246358	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+K"	38.963158
"752795"	1401.387958	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+K"	38.963158
"1550108"	493.104758	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+K"	38.963158
"310565"	474.126817	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+H+K"	39.970434
"704446"	701.197617	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+H+K"	39.970434
"1455711"	247.056017	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H+K"	39.970434
"243220"	950.317026	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+ACN+H"	42.033826
"1221032"	496.175426	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+ACN+H"	42.033826
"1203092"	248.591351	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+ACN+2H"	43.041102
"197056"	953.25436	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+2Na-H"	44.97116
"639904"	1407.39596	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+2Na-H"	44.97116
"1140127"	499.11276	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2Na-H"	44.97116
"184511"	477.130818	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+2Na"	45.978436
"620796"	704.201618	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+2Na"	45.978436
"1126486"	250.060018	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2Na"	45.978436
"1408918"	167.042437333333	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H+2Na"	46.985712
"1437753"	501.154346	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H+HCOOH"	47.012746
"227446"	482.16384	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+3H2O+2H"	56.04448
"1514416"	515.20639	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+IsoProp+H"	61.06479
"412279"	485.117788	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+Na+K"	61.952376
"774007"	712.188588	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+Na+K"	61.952376
"1667784"	258.046988	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Na+K"	61.952376
"252965"	972.298968	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+ACN+Na"	64.015768
"1225754"	518.157368	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+ACN+Na"	64.015768
"1713138"	518.180893	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+NH4+HCOOH"	64.039293
"1179786"	174.369751333333	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+3Na"	68.967654
"1651499"	523.136288	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Na+HCOOH"	68.994688
"158363"	985.20224	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+2K-H"	76.91904
"600121"	1439.34384	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+2K-H"	76.91904
"1084628"	531.06064	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2K-H"	76.91904
"142049"	493.104758	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"2M+2K"	77.926316
"583925"	720.175558	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"3M+2K"	77.926316
"1077555"	266.033958	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2K"	77.926316
"1104203"	533.075192	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2K+H"	78.933592
"1347152"	533.162807	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+DMSO+H"	79.021207
"1015682"	537.201976	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2ACN+H"	83.060376
"1528347"	538.195608	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+IsoProp+Na+H"	84.054008
"999169"	269.104626	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+2ACN+2H"	84.067652
"1599138"	539.110228	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+K+HCOOH"	84.968628
"1428076"	569.141738	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+H+CF3COOH"	115.000138
"1158363"	289.617901	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+3ACN+2H"	125.094202
"1707920"	586.168285	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+NH4+CF3COOH"	132.026685
"1643570"	591.12368	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+Na+CF3COOH"	136.98208
"1584687"	607.09762	"C10260"	"Gnetin A"	"C28H22O6"	"454.1416"	"M+K+CF3COOH"	152.95602
"815052"	242.0943	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M"	0
"984212"	223.07591	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"76833"	160.388924	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"516756"	241.087024	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"890916"	79.690824	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"12768"	241.087024	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"450139"	362.134174	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"823572"	120.039874	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"88666"	483.181324	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"520937"	725.275624	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"896426"	241.087024	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"48130"	500.207871	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"493767"	742.302171	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"869387"	258.113571	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"38379"	505.163266	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"480132"	747.257566	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"854652"	263.068966	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1630749"	263.068966	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"102904"	259.075363	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"540276"	380.122513	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"939258"	138.028213	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"270526"	519.158002	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"664771"	761.252302	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1279363"	277.063702	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"23015"	521.137206	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"463671"	763.231506	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"837102"	279.042906	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1563870"	279.042906	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"946287"	287.092494	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"372159"	529.186801	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"353854"	543.202451	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1505239"	301.108151	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"970230"	309.074451	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"121324"	277.063702	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"554322"	398.110852	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1029684"	156.016552	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1249263"	321.013185	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1309525"	323.069172	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1324834"	345.051129	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"915894"	355.079886	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1301356"	391.056564	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1379515"	207.081624	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1395920"	225.0916	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"290138"	485.195876	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"686933"	727.290176	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1362189"	243.101576	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"136170"	243.101576	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"573542"	364.148726	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1043435"	122.054426	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"210241"	162.403476	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"653083"	243.101576	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1167927"	81.705376	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"430107"	502.222423	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"791099"	744.316723	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1690709"	260.128123	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"337894"	251.6148495	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"724847"	372.6619995	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1485228"	130.5676995	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"400635"	507.177818	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"764919"	749.272118	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1607549"	265.083518	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"317585"	254.092547	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"714382"	375.139697	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1462733"	133.045397	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1055980"	89.03269	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1265314"	275.127786	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"389357"	523.151758	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"749628"	765.246058	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1552407"	281.057458	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"306302"	262.079517	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"704190"	383.126667	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1456552"	141.032367	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"245520"	526.222426	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1218226"	284.128126	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1202109"	142.567701	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"194979"	529.15976	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"639651"	771.25406	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1140237"	287.06546	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"181341"	265.083518	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"622000"	386.130668	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1126596"	144.036368	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1409028"	96.360004	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1440049"	289.107046	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"229743"	270.11654	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1516713"	303.15909	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"415305"	273.070488	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"774117"	394.117638	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1668623"	152.023338	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"252588"	548.204368	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1225672"	306.110068	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1712859"	306.133593	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1179653"	103.687318	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1651610"	311.088988	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"159577"	561.10764	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"598894"	803.20194	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1084862"	319.01334	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"143503"	281.057458	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"586592"	402.104608	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1077665"	160.010308	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1103220"	321.027892	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1345077"	321.115507	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1014699"	325.154676	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1531738"	326.148308	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"997093"	163.080976	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1599247"	327.062928	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1428186"	357.094438	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1158473"	183.594251	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1709123"	374.120985	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1645867"	379.07638	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1584797"	395.05032	"C10261"	"Hircinol"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"816015"	256.0736	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M"	0
"985414"	237.05521	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"76943"	169.708457333333	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"515411"	255.066324	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"892119"	84.3505906666667	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"13971"	255.066324	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"450249"	383.103124	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"825868"	127.029524	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"89140"	511.139924	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"526517"	767.213524	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"897756"	255.066324	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"53223"	528.166471	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"492785"	784.240071	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"870590"	272.092871	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"37396"	533.121866	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"486199"	789.195466	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"859137"	277.048266	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1628675"	277.048266	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"104108"	273.054663	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"546828"	401.091463	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"938278"	145.017863	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"272824"	547.116602	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"666339"	803.190202	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1287618"	291.043002	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"28594"	549.095806	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"464873"	805.169406	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"841586"	293.022206	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1567261"	293.022206	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"957333"	301.071794	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"374092"	557.145401	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"356151"	571.161051	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1507537"	315.087451	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"969975"	323.053751	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"122528"	291.043002	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"557714"	419.079802	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1028701"	163.006202	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1251560"	334.992485	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1314009"	337.048472	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1327131"	359.030429	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"919284"	369.059186	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1302195"	405.035864	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1377439"	221.060924	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1392750"	239.0709	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"293528"	513.154476	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"690570"	769.228076	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1363394"	257.080876	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"135189"	257.080876	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"572561"	385.117676	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1051933"	129.044076	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"214727"	171.723009333333	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"655381"	257.080876	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1173506"	86.3651426666667	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"433497"	530.181023	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"794491"	786.254623	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1688635"	274.107423	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"339100"	265.5941495	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"731518"	393.6309495	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1486431"	137.5573495	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"400746"	535.136418	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"762842"	791.210018	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1612033"	279.062818	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"324257"	268.071847	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"715584"	396.108647	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1466124"	140.035047	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1057184"	93.6924566666667	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1267612"	289.107086	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"387288"	551.110358	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"748283"	807.183958	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1551792"	295.036758	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"307507"	276.058817	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"699928"	404.095617	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1451561"	148.022017	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"243444"	554.181026	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1220525"	298.107426	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1200034"	149.557351	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"199467"	557.11836	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"641217"	813.19196	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1139254"	301.04476	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"180358"	279.062818	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"622475"	407.099618	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1128531"	151.026018	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1411324"	101.019770666667	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1440161"	303.086346	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"227670"	284.09584	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1513546"	317.13839	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"419792"	287.049788	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"777507"	415.086588	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1670555"	159.012988	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"255981"	576.162968	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1228327"	320.089368	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1715390"	320.112893	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1179651"	108.347084666667	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1652461"	325.068288	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"159687"	589.06624	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"603625"	845.13984	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1087042"	332.99264	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"151514"	295.036758	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"589982"	423.073558	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1078141"	166.999958	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1107704"	335.007192	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1343001"	335.094807	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1013716"	339.133976	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1525893"	340.127608	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"997202"	170.070626	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1596077"	341.042228	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1423922"	371.073738	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1152022"	190.583901	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1709233"	388.100285	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1645977"	393.05568	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1584907"	409.02962	"C10262"	"Hydrangenol"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"811992"	283.1784	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M"	0
"980055"	264.16001	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-H2O-H"	-19.01839
"78146"	187.778324	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M-3H"	-3.021828
"517948"	282.171124	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M-3H"	-3.021828
"894411"	93.385524	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-3H"	-3.021828
"14081"	282.171124	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M-2H"	-2.014552
"448172"	423.760324	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M-2H"	-2.014552
"824885"	140.581924	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-2H"	-2.014552
"88157"	565.349524	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M-H"	-1.007276
"532097"	848.527924	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M-H"	-1.007276
"906616"	282.171124	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-H"	-1.007276
"55522"	582.376071	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M-2H+NH4"	16.019271
"499457"	865.554471	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M-2H+NH4"	16.019271
"873985"	299.197671	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-2H+NH4"	16.019271
"41881"	587.331466	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M-2H+Na"	20.974666
"485579"	870.509866	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M-2H+Na"	20.974666
"860340"	304.153066	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-2H+Na"	20.974666
"1627692"	304.153066	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Na-2H"	20.974666
"104219"	300.159463	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M-H+Cl"	33.962126
"545967"	441.748663	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M-H+Cl"	33.962126
"937294"	158.570263	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-H+Cl"	33.962126
"279131"	601.326202	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+Cl"	34.969402
"668272"	884.504602	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+Cl"	34.969402
"1287244"	318.147802	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Cl"	34.969402
"30529"	603.305406	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M-2H+K"	36.948606
"460611"	886.483806	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M-2H+K"	36.948606
"833590"	320.127006	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-2H+K"	36.948606
"1564091"	320.127006	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+K-2H"	36.948606
"957201"	328.176594	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-H+HCOOH"	44.998194
"368006"	611.355001	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+HCOOH-H"	44.998201
"355168"	625.370651	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+Hac-H"	59.013851
"1501815"	342.192251	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Hac-H"	59.013851
"967169"	350.158551	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-H+NaCOOH"	66.980151
"119359"	318.147802	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+2Cl"	69.938804
"561104"	459.737002	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+2Cl"	69.938804
"1030998"	176.558602	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2Cl"	69.938804
"1253493"	362.097285	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Br"	78.918885
"1314119"	364.153272	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Cl+HCOOH"	80.974872
"1326150"	386.135229	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Cl+NaCOOH"	102.956829
"919394"	396.163986	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M-H+CF3COOH"	112.985586
"1300120"	432.140664	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Cl+CF3COOH"	148.962264
"1376457"	248.165724	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H-2H2O"	-35.012676
"1392861"	266.1757	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H-H2O"	-17.0027
"295829"	567.364076	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+H"	1.007276
"688616"	850.542476	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+H"	1.007276
"1362776"	284.185676	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H"	1.007276
"140040"	284.185676	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+2H"	2.014552
"573763"	425.774876	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+2H"	2.014552
"1048031"	142.596476	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2H"	2.014552
"217754"	189.792876	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+3H"	3.021828
"656585"	284.185676	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+3H"	3.021828
"1174346"	95.400076	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+3H"	3.021828
"434701"	584.390623	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+NH4"	18.033823
"794600"	867.569023	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+NH4"	18.033823
"1692023"	301.212223	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+NH4"	18.033823
"340302"	292.6989495	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+H+NH4"	19.041099
"734909"	434.2881495	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+H+NH4"	19.041099
"1487637"	151.1097495	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H+NH4"	19.041099
"399766"	589.346018	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+Na"	22.989218
"764047"	872.524418	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+Na"	22.989218
"1615426"	306.167618	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Na"	22.989218
"326555"	295.176647	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+H+Na"	23.996494
"717883"	436.765847	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+H+Na"	23.996494
"1467328"	153.587447	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H+Na"	23.996494
"1059480"	102.72739	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2H+Na"	25.00377
"1266629"	316.211886	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+CH3OH+H"	33.033486
"384117"	605.319958	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+K"	38.963158
"749123"	888.498358	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+K"	38.963158
"1551173"	322.141558	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+K"	38.963158
"310535"	303.163617	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+H+K"	39.970434
"702226"	444.752817	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+H+K"	39.970434
"1457871"	161.574417	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H+K"	39.970434
"244648"	608.390626	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+ACN+H"	42.033826
"1217357"	325.212226	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+ACN+H"	42.033826
"1201240"	163.109751	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+ACN+2H"	43.041102
"198485"	611.32796	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+2Na-H"	44.97116
"638045"	894.50636	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+2Na-H"	44.97116
"1141552"	328.14956	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2Na-H"	44.97116
"185939"	306.167618	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+2Na"	45.978436
"624407"	447.756818	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+2Na"	45.978436
"1130707"	164.578418	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2Na"	45.978436
"1411438"	110.054704	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H+2Na"	46.985712
"1439178"	330.191146	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H+HCOOH"	47.012746
"224503"	311.20064	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+3H2O+2H"	56.04448
"1512197"	344.24319	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+IsoProp+H"	61.06479
"415531"	314.154588	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+Na+K"	61.952376
"777619"	455.743788	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+Na+K"	61.952376
"1671761"	172.565388	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Na+K"	61.952376
"261562"	630.372568	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+ACN+Na"	64.015768
"1228073"	347.194168	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+ACN+Na"	64.015768
"1717690"	347.217693	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+NH4+HCOOH"	64.039293
"1179760"	117.382018	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+3Na"	68.967654
"1655125"	352.173088	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Na+HCOOH"	68.994688
"159797"	643.27584	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+2K-H"	76.91904
"604831"	926.45424	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+2K-H"	76.91904
"1093715"	360.09744	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2K-H"	76.91904
"150530"	322.141558	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"2M+2K"	77.926316
"588999"	463.730758	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"3M+2K"	77.926316
"1077885"	180.552358	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2K"	77.926316
"1110000"	362.111992	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2K+H"	78.933592
"1344204"	362.199607	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+DMSO+H"	79.021207
"1013826"	366.238776	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2ACN+H"	83.060376
"1528678"	367.232408	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+IsoProp+Na+H"	84.054008
"1001687"	183.623026	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+2ACN+2H"	84.067652
"1597280"	368.147028	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+K+HCOOH"	84.968628
"1422939"	398.178538	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+H+CF3COOH"	115.000138
"1152132"	204.136301	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+3ACN+2H"	125.094202
"1709343"	415.205085	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+NH4+CF3COOH"	132.026685
"1644994"	420.16048	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+Na+CF3COOH"	136.98208
"1585017"	436.13442	"C10263"	"Amabiline;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester"	"C15H25NO4"	"283.1784"	"M+K+CF3COOH"	152.95602
"812102"	338.1518	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M"	0
"976885"	319.13341	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-H2O-H"	-19.01839
"78338"	224.427257333333	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M-3H"	-3.021828
"515627"	337.144524	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M-3H"	-3.021828
"894157"	111.709990666667	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-3H"	-3.021828
"9815"	337.144524	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M-2H"	-2.014552
"442813"	506.220424	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M-2H"	-2.014552
"827181"	168.068624	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-2H"	-2.014552
"88266"	675.296324	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M-H"	-1.007276
"532207"	1013.448124	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M-H"	-1.007276
"906726"	337.144524	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-H"	-1.007276
"54539"	692.322871	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M-2H+NH4"	16.019271
"499567"	1030.474671	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M-2H+NH4"	16.019271
"874095"	354.171071	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-2H+NH4"	16.019271
"40897"	697.278266	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M-2H+Na"	20.974666
"485931"	1035.430066	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M-2H+Na"	20.974666
"860450"	359.126466	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-2H+Na"	20.974666
"1628895"	359.126466	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Na-2H"	20.974666
"104329"	355.132863	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M-H+Cl"	33.962126
"541703"	524.208763	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M-H+Cl"	33.962126
"935217"	186.056963	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-H+Cl"	33.962126
"278147"	711.273002	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+Cl"	34.969402
"666194"	1049.424802	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+Cl"	34.969402
"1279691"	373.121202	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Cl"	34.969402
"21157"	713.252206	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M-2H+K"	36.948606
"464001"	1051.404006	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M-2H+K"	36.948606
"834874"	375.100406	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-2H+K"	36.948606
"1568574"	375.100406	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+K-2H"	36.948606
"955364"	383.149994	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-H+HCOOH"	44.998194
"376261"	721.301801	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+HCOOH-H"	44.998201
"360387"	735.317451	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+Hac-H"	59.013851
"1507642"	397.165651	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Hac-H"	59.013851
"972750"	405.131951	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-H+NaCOOH"	66.980151
"123482"	373.121202	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+2Cl"	69.938804
"564011"	542.197102	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+2Cl"	69.938804
"1033298"	204.045302	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2Cl"	69.938804
"1251784"	417.070685	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Br"	78.918885
"1316418"	419.126672	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Cl+HCOOH"	80.974872
"1333560"	441.108629	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Cl+NaCOOH"	102.956829
"922787"	451.137386	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M-H+CF3COOH"	112.985586
"1300232"	487.114064	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Cl+CF3COOH"	148.962264
"1379120"	303.139124	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H-2H2O"	-35.012676
"1396618"	321.1491	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H-H2O"	-17.0027
"295940"	677.310876	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+H"	1.007276
"689823"	1015.462676	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+H"	1.007276
"1364713"	339.159076	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H"	1.007276
"139425"	339.159076	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+2H"	2.014552
"581053"	508.234976	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+2H"	2.014552
"1052156"	170.083176	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2H"	2.014552
"217134"	226.441809333333	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+3H"	3.021828
"656696"	339.159076	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+3H"	3.021828
"1175185"	113.724542666667	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+3H"	3.021828
"434810"	694.337423	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+NH4"	18.033823
"793618"	1032.489223	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+NH4"	18.033823
"1691041"	356.185623	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+NH4"	18.033823
"339319"	347.6723495	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+H+NH4"	19.041099
"735019"	516.7482495	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+H+NH4"	19.041099
"1486654"	178.5964495	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H+NH4"	19.041099
"400969"	699.292818	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+Na"	22.989218
"769466"	1037.444618	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+Na"	22.989218
"1617726"	361.141018	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Na"	22.989218
"327760"	350.150047	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+H+Na"	23.996494
"719087"	519.225947	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+H+Na"	23.996494
"1472906"	181.074147	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H+Na"	23.996494
"1061778"	121.051856666667	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2H+Na"	25.00377
"1265644"	371.185286	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+CH3OH+H"	33.033486
"386411"	715.266758	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+K"	38.963158
"749596"	1053.418558	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+K"	38.963158
"1552739"	377.114958	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+K"	38.963158
"309916"	358.137017	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+H+K"	39.970434
"704523"	527.212917	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+H+K"	39.970434
"1459437"	189.061117	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H+K"	39.970434
"245852"	718.337426	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+ACN+H"	42.033826
"1219654"	380.185626	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+ACN+H"	42.033826
"1201350"	190.596451	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+ACN+2H"	43.041102
"199689"	721.27476	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+2Na-H"	44.97116
"638155"	1059.42656	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+2Na-H"	44.97116
"1141662"	383.12296	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2Na-H"	44.97116
"184952"	361.141018	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+2Na"	45.978436
"625612"	530.216918	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+2Na"	45.978436
"1129116"	192.065118	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2Na"	45.978436
"1412640"	128.379170666667	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H+2Na"	46.985712
"1440381"	385.164546	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H+HCOOH"	47.012746
"230079"	366.17404	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+3H2O+2H"	56.04448
"1518142"	399.21659	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+IsoProp+H"	61.06479
"415640"	369.127988	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+Na+K"	61.952376
"773353"	538.203888	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+Na+K"	61.952376
"1670778"	200.052088	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Na+K"	61.952376
"256933"	740.319368	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+ACN+Na"	64.015768
"1226842"	402.167568	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+ACN+Na"	64.015768
"1715612"	402.191093	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+NH4+HCOOH"	64.039293
"1179506"	135.706484666667	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+3Na"	68.967654
"1655235"	407.146488	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Na+HCOOH"	68.994688
"161000"	753.22264	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+2K-H"	76.91904
"604941"	1091.37444	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+2K-H"	76.91904
"1091639"	415.07084	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2K-H"	76.91904
"150640"	377.114958	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"2M+2K"	77.926316
"590202"	546.190858	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"3M+2K"	77.926316
"1077995"	208.039058	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2K"	77.926316
"1109017"	417.085392	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2K+H"	78.933592
"1343221"	417.173007	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+DMSO+H"	79.021207
"1012842"	421.212176	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2ACN+H"	83.060376
"1535349"	422.205808	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+IsoProp+Na+H"	84.054008
"1000704"	211.109726	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+2ACN+2H"	84.067652
"1596297"	423.120428	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+K+HCOOH"	84.968628
"1423049"	453.151938	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+H+CF3COOH"	115.000138
"1152242"	231.623001	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+3ACN+2H"	125.094202
"1708360"	470.178485	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+NH4+CF3COOH"	132.026685
"1646197"	475.13388	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+Na+CF3COOH"	136.98208
"1585127"	491.10782	"C10264"	"3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid"	"C21H22O4"	"338.1518"	"M+K+CF3COOH"	152.95602
"812212"	284.1049	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M"	0
"976267"	265.08651	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-H2O-H"	-19.01839
"77515"	188.395990666667	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M-3H"	-3.021828
"515736"	283.097624	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M-3H"	-3.021828
"888069"	93.6943573333333	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-3H"	-3.021828
"7737"	283.097624	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M-2H"	-2.014552
"440736"	425.150074	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M-2H"	-2.014552
"825100"	141.045174	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-2H"	-2.014552
"82907"	567.202524	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M-H"	-1.007276
"531224"	851.307424	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M-H"	-1.007276
"905743"	283.097624	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-H"	-1.007276
"53554"	584.229071	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M-2H+NH4"	16.019271
"494208"	868.333971	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M-2H+NH4"	16.019271
"876388"	300.124171	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-2H+NH4"	16.019271
"38820"	589.184466	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M-2H+Na"	20.974666
"482759"	873.289366	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M-2H+Na"	20.974666
"860559"	305.079566	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-2H+Na"	20.974666
"1631921"	305.079566	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Na-2H"	20.974666
"104439"	301.085963	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M-H+Cl"	33.962126
"546187"	443.138413	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M-H+Cl"	33.962126
"934234"	159.033513	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-H+Cl"	33.962126
"276071"	603.179202	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+Cl"	34.969402
"666304"	887.284102	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+Cl"	34.969402
"1280895"	319.074302	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Cl"	34.969402
"21267"	605.158406	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M-2H+K"	36.948606
"468485"	889.263306	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M-2H+K"	36.948606
"845193"	321.053506	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-2H+K"	36.948606
"1568684"	321.053506	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+K-2H"	36.948606
"956934"	329.103094	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-H+HCOOH"	44.998194
"376863"	613.208001	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+HCOOH-H"	44.998201
"361262"	627.223651	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+Hac-H"	59.013851
"1508338"	343.118751	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Hac-H"	59.013851
"973957"	351.085051	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-H+NaCOOH"	66.980151
"125177"	319.074302	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+2Cl"	69.938804
"564975"	461.126752	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+2Cl"	69.938804
"1036325"	177.021852	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2Cl"	69.938804
"1255540"	363.023785	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Br"	78.918885
"1316528"	365.079772	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Cl+HCOOH"	80.974872
"1333671"	387.061729	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Cl+NaCOOH"	102.956829
"921804"	397.090486	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M-H+CF3COOH"	112.985586
"1301439"	433.067164	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Cl+CF3COOH"	148.962264
"1381664"	249.092224	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H-2H2O"	-35.012676
"1396005"	267.1022	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H-H2O"	-17.0027
"297877"	569.217076	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+H"	1.007276
"690664"	853.321976	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+H"	1.007276
"1363002"	285.112176	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H"	1.007276
"137713"	285.112176	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+2H"	2.014552
"580800"	427.164626	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+2H"	2.014552
"1052268"	143.059726	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2H"	2.014552
"216151"	190.410542666667	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+3H"	3.021828
"656805"	285.112176	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+3H"	3.021828
"1176630"	95.7089093333333	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+3H"	3.021828
"436014"	586.243623	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+NH4"	18.033823
"793728"	870.348523	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+NH4"	18.033823
"1691151"	302.138723	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+NH4"	18.033823
"341615"	293.6254495	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+H+NH4"	19.041099
"731849"	435.6778995	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+H+NH4"	19.041099
"1488950"	151.5729995	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H+NH4"	19.041099
"399984"	591.199018	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+Na"	22.989218
"769615"	875.303918	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+Na"	22.989218
"1617107"	307.094118	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Na"	22.989218
"327870"	296.103147	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+H+Na"	23.996494
"721749"	438.155597	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+H+Na"	23.996494
"1473746"	154.050697	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H+Na"	23.996494
"1062982"	103.036223333333	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2H+Na"	25.00377
"1265754"	317.138386	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+CH3OH+H"	33.033486
"387614"	607.172958	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+K"	38.963158
"752986"	891.277858	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+K"	38.963158
"1553943"	323.068058	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+K"	38.963158
"314121"	304.090117	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+H+K"	39.970434
"706093"	446.142567	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+H+K"	39.970434
"1458454"	162.037667	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H+K"	39.970434
"245962"	610.243626	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+ACN+H"	42.033826
"1217576"	326.138726	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+ACN+H"	42.033826
"1201460"	163.573001	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+ACN+2H"	43.041102
"203688"	613.18096	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+2Na-H"	44.97116
"638265"	897.28586	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+2Na-H"	44.97116
"1141771"	329.07606	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2Na-H"	44.97116
"186156"	307.094118	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+2Na"	45.978436
"622435"	449.146568	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+2Na"	45.978436
"1131093"	165.041668	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2Na"	45.978436
"1412508"	110.363537333333	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H+2Na"	46.985712
"1437211"	331.117646	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H+HCOOH"	47.012746
"229095"	312.12714	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+3H2O+2H"	56.04448
"1520439"	345.16969	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+IsoProp+H"	61.06479
"421218"	315.081088	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+Na+K"	61.952376
"774193"	457.133538	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+Na+K"	61.952376
"1669065"	173.028638	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Na+K"	61.952376
"257043"	632.225568	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+ACN+Na"	64.015768
"1225983"	348.120668	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+ACN+Na"	64.015768
"1715722"	348.144193	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+NH4+HCOOH"	64.039293
"1180346"	117.690851333333	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+3Na"	68.967654
"1651698"	353.099588	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Na+HCOOH"	68.994688
"160017"	645.12884	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+2K-H"	76.91904
"598118"	929.23374	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+2K-H"	76.91904
"1084528"	361.02394	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2K-H"	76.91904
"142484"	323.068058	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"2M+2K"	77.926316
"587032"	465.120508	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"3M+2K"	77.926316
"1077013"	181.015608	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2K"	77.926316
"1109127"	363.038492	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2K+H"	78.933592
"1344424"	363.126107	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+DMSO+H"	79.021207
"1015139"	367.165276	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2ACN+H"	83.060376
"1535460"	368.158908	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+IsoProp+Na+H"	84.054008
"1003728"	184.086276	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+2ACN+2H"	84.067652
"1597500"	369.073528	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+K+HCOOH"	84.968628
"1425346"	399.105038	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+H+CF3COOH"	115.000138
"1152352"	204.599551	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+3ACN+2H"	125.094202
"1708470"	416.131585	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+NH4+CF3COOH"	132.026685
"1644120"	421.08698	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+Na+CF3COOH"	136.98208
"1585237"	437.06092	"C10265"	"Isobatatasin I"	"C17H16O4"	"284.1049"	"M+K+CF3COOH"	152.95602
"809042"	420.142	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M"	0
"976013"	401.12361	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-H2O-H"	-19.01839
"77987"	279.087390666667	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M-3H"	-3.021828
"512566"	419.134724	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M-3H"	-3.021828
"884899"	139.040057333333	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-3H"	-3.021828
"7847"	419.134724	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M-2H"	-2.014552
"441939"	629.205724	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M-2H"	-2.014552
"819743"	209.063724	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-2H"	-2.014552
"79124"	839.276724	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M-H"	-1.007276
"529147"	1259.418724	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M-H"	-1.007276
"904759"	419.134724	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-H"	-1.007276
"53664"	856.303271	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M-2H+NH4"	16.019271
"491037"	1276.445271	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M-2H+NH4"	16.019271
"876498"	436.161271	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-2H+NH4"	16.019271
"38930"	861.258666	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M-2H+Na"	20.974666
"484567"	1281.400666	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M-2H+Na"	20.974666
"855198"	441.116666	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-2H+Na"	20.974666
"1631179"	441.116666	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Na-2H"	20.974666
"104549"	437.123063	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M-H+Cl"	33.962126
"541922"	647.194063	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M-H+Cl"	33.962126
"937622"	227.052063	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-H+Cl"	33.962126
"276179"	875.253402	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+Cl"	34.969402
"663134"	1295.395402	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+Cl"	34.969402
"1279911"	455.111402	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Cl"	34.969402
"18458"	877.232606	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M-2H+K"	36.948606
"466409"	1297.374606	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M-2H+K"	36.948606
"844209"	457.090606	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-2H+K"	36.948606
"1564419"	457.090606	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+K-2H"	36.948606
"953396"	465.140194	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-H+HCOOH"	44.998194
"377033"	885.282201	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+HCOOH-H"	44.998201
"359146"	899.297851	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+Hac-H"	59.013851
"1507858"	479.155851	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Hac-H"	59.013851
"971512"	487.122151	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-H+NaCOOH"	66.980151
"123700"	455.111402	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+2Cl"	69.938804
"564597"	665.182402	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+2Cl"	69.938804
"1032419"	245.040402	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2Cl"	69.938804
"1255650"	499.060885	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Br"	78.918885
"1317731"	501.116872	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Cl+HCOOH"	80.974872
"1334388"	523.098829	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Cl+NaCOOH"	102.956829
"921914"	533.127586	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M-H+CF3COOH"	112.985586
"1303370"	569.104264	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Cl+CF3COOH"	148.962264
"1381292"	385.129324	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H-2H2O"	-35.012676
"1396479"	403.1393	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H-H2O"	-17.0027
"296164"	841.291276	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+H"	1.007276
"689681"	1261.433276	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+H"	1.007276
"1363476"	421.149276	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H"	1.007276
"138917"	421.149276	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+2H"	2.014552
"580180"	631.220276	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+2H"	2.014552
"1051286"	211.078276	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2H"	2.014552
"216261"	281.101942666667	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+3H"	3.021828
"656915"	421.149276	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+3H"	3.021828
"1176133"	141.054609333333	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+3H"	3.021828
"433937"	858.317823	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+NH4"	18.033823
"793838"	1278.459823	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+NH4"	18.033823
"1691261"	438.175823	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+NH4"	18.033823
"340632"	429.6625495	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+H+NH4"	19.041099
"735239"	639.7335495	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+H+NH4"	19.041099
"1489060"	219.5915495	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H+NH4"	19.041099
"400094"	863.273218	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+Na"	22.989218
"767663"	1283.415218	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+Na"	22.989218
"1616852"	443.131218	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Na"	22.989218
"326888"	432.140247	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+H+Na"	23.996494
"718215"	642.211247	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+H+Na"	23.996494
"1473856"	222.069247	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H+Na"	23.996494
"1062728"	148.381923333333	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2H+Na"	25.00377
"1265866"	453.175486	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+CH3OH+H"	33.033486
"386631"	879.247158	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+K"	38.963158
"753867"	1299.389158	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+K"	38.963158
"1552960"	459.105158	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+K"	38.963158
"313417"	440.127217	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+H+K"	39.970434
"706977"	650.198217	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+H+K"	39.970434
"1457471"	230.056217	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H+K"	39.970434
"244979"	882.317826	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+ACN+H"	42.033826
"1216593"	462.175826	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+ACN+H"	42.033826
"1200477"	231.591551	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+ACN+2H"	43.041102
"202705"	885.25516	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+2Na-H"	44.97116
"638375"	1305.39716	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+2Na-H"	44.97116
"1140788"	465.11316	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2Na-H"	44.97116
"186145"	443.131218	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+2Na"	45.978436
"621452"	653.202218	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+2Na"	45.978436
"1129335"	233.060218	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2Na"	45.978436
"1412740"	155.709237333333	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H+2Na"	46.985712
"1436956"	467.154746	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H+HCOOH"	47.012746
"231392"	448.16424	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+3H2O+2H"	56.04448
"1520550"	481.20679	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+IsoProp+H"	61.06479
"420234"	451.118188	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+Na+K"	61.952376
"774667"	661.189188	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+Na+K"	61.952376
"1669903"	241.047188	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Na+K"	61.952376
"256424"	904.299768	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+ACN+Na"	64.015768
"1225882"	484.157768	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+ACN+Na"	64.015768
"1715832"	484.181293	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+NH4+HCOOH"	64.039293
"1178997"	163.036551333333	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+3Na"	68.967654
"1651079"	489.136688	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Na+HCOOH"	68.994688
"159034"	917.20304	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+2K-H"	76.91904
"597291"	1337.34504	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+2K-H"	76.91904
"1084641"	497.06104	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2K-H"	76.91904
"141698"	459.105158	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"2M+2K"	77.926316
"584956"	669.176158	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"3M+2K"	77.926316
"1076759"	249.034158	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2K"	77.926316
"1107051"	499.075592	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2K+H"	78.933592
"1345627"	499.163207	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+DMSO+H"	79.021207
"1015249"	503.202376	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2ACN+H"	83.060376
"1537756"	504.196008	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+IsoProp+Na+H"	84.054008
"1003838"	252.104826	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+2ACN+2H"	84.067652
"1597610"	505.110628	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+K+HCOOH"	84.968628
"1427643"	535.142138	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+H+CF3COOH"	115.000138
"1153555"	272.618101	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+3ACN+2H"	125.094202
"1707487"	552.168685	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+NH4+CF3COOH"	132.026685
"1644230"	557.12408	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+Na+CF3COOH"	136.98208
"1585347"	573.09802	"C10266"	"Isorhapontin"	"C21H24O9"	"420.142"	"M+K+CF3COOH"	152.95602
"809152"	256.1099	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M"	0
"976487"	237.09151	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-H2O-H"	-19.01839
"66919"	169.732657333333	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M-3H"	-3.021828
"507208"	255.102624	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M-3H"	-3.021828
"882822"	84.3626906666667	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-3H"	-3.021828
"2489"	255.102624	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M-2H"	-2.014552
"441197"	383.157574	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M-2H"	-2.014552
"817127"	127.047674	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-2H"	-2.014552
"78979"	511.212524	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M-H"	-1.007276
"530349"	767.322424	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M-H"	-1.007276
"903775"	255.102624	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-H"	-1.007276
"48549"	528.239071	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M-2H+NH4"	16.019271
"487986"	784.348971	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M-2H+NH4"	16.019271
"876608"	272.129171	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-2H+NH4"	16.019271
"37947"	533.194466	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M-2H+Na"	20.974666
"484798"	789.304366	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M-2H+Na"	20.974666
"855308"	277.084566	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-2H+Na"	20.974666
"1631047"	277.084566	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Na-2H"	20.974666
"106846"	273.090963	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M-H+Cl"	33.962126
"547379"	401.145913	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M-H+Cl"	33.962126
"940528"	145.036013	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-H+Cl"	33.962126
"279569"	547.189202	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+Cl"	34.969402
"674424"	803.299102	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+Cl"	34.969402
"1283301"	291.079302	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Cl"	34.969402
"21484"	549.168406	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M-2H+K"	36.948606
"465425"	805.278306	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M-2H+K"	36.948606
"842132"	293.058506	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-2H+K"	36.948606
"1562337"	293.058506	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+K-2H"	36.948606
"953507"	301.108094	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-H+HCOOH"	44.998194
"376908"	557.218001	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+HCOOH-H"	44.998201
"358892"	571.233651	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+Hac-H"	59.013851
"1507971"	315.123751	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Hac-H"	59.013851
"971621"	323.090051	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-H+NaCOOH"	66.980151
"124540"	291.079302	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+2Cl"	69.938804
"561545"	419.134252	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+2Cl"	69.938804
"1031436"	163.024352	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2Cl"	69.938804
"1253205"	335.028785	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Br"	78.918885
"1315654"	337.084772	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Cl+HCOOH"	80.974872
"1334248"	359.066729	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Cl+NaCOOH"	102.956829
"926035"	369.095486	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M-H+CF3COOH"	112.985586
"1302997"	405.072164	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Cl+CF3COOH"	148.962264
"1381645"	221.097224	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H-2H2O"	-35.012676
"1395857"	239.1072	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H-H2O"	-17.0027
"297001"	513.227076	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+H"	1.007276
"687968"	769.336976	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+H"	1.007276
"1363223"	257.117176	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H"	1.007276
"139393"	257.117176	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+2H"	2.014552
"579315"	385.172126	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+2H"	2.014552
"1050786"	129.062226	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2H"	2.014552
"216371"	171.747209333333	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+3H"	3.021828
"653745"	257.117176	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+3H"	3.021828
"1177095"	86.3772426666667	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+3H"	3.021828
"435141"	530.253623	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+NH4"	18.033823
"795039"	786.363523	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+NH4"	18.033823
"1695744"	274.143723	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+NH4"	18.033823
"341835"	265.6304495	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+H+NH4"	19.041099
"732070"	393.6853995	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+H+NH4"	19.041099
"1488078"	137.5754995	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H+NH4"	19.041099
"395830"	535.209018	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+Na"	22.989218
"766314"	791.318918	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+Na"	22.989218
"1614412"	279.099118	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Na"	22.989218
"325904"	268.108147	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+H+Na"	23.996494
"719418"	396.163097	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+H+Na"	23.996494
"1471779"	140.053197	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H+Na"	23.996494
"1062838"	93.7045566666666	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2H+Na"	25.00377
"1267068"	289.143386	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+CH3OH+H"	33.033486
"385647"	551.182958	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+K"	38.963158
"750655"	807.292858	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+K"	38.963158
"1552707"	295.073058	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+K"	38.963158
"310613"	276.095117	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+H+K"	39.970434
"704490"	404.150067	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+H+K"	39.970434
"1455395"	148.040167	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H+K"	39.970434
"243996"	554.253626	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+ACN+H"	42.033826
"1221078"	298.143726	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+ACN+H"	42.033826
"1200587"	149.575501	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+ACN+2H"	43.041102
"203302"	557.19096	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+2Na-H"	44.97116
"639579"	813.30086	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+2Na-H"	44.97116
"1137618"	301.08106	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2Na-H"	44.97116
"183096"	279.099118	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+2Na"	45.978436
"621562"	407.154068	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+2Na"	45.978436
"1129324"	151.044168	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2Na"	45.978436
"1408596"	101.031870666667	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H+2Na"	46.985712
"1436702"	303.122646	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H+HCOOH"	47.012746
"224576"	284.13214	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+3H2O+2H"	56.04448
"1515191"	317.17469	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+IsoProp+H"	61.06479
"413054"	287.086088	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+Na+K"	61.952376
"775506"	415.141038	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+Na+K"	61.952376
"1668920"	159.031138	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Na+K"	61.952376
"255805"	576.235568	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+ACN+Na"	64.015768
"1226325"	320.125668	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+ACN+Na"	64.015768
"1713754"	320.149193	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+NH4+HCOOH"	64.039293
"1179837"	108.359184666667	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+3Na"	68.967654
"1651189"	325.104588	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Na+HCOOH"	68.994688
"157222"	589.13884	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+2K-H"	76.91904
"597281"	845.24874	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+2K-H"	76.91904
"1084667"	333.02894	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2K-H"	76.91904
"141687"	295.073058	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"2M+2K"	77.926316
"581570"	423.128008	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"3M+2K"	77.926316
"1077232"	167.018108	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2K"	77.926316
"1107160"	335.043492	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2K+H"	78.933592
"1347924"	335.131107	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+DMSO+H"	79.021207
"1016452"	339.170276	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2ACN+H"	83.060376
"1539081"	340.163908	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+IsoProp+Na+H"	84.054008
"1004070"	170.088776	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+2ACN+2H"	84.067652
"1602461"	341.078528	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+K+HCOOH"	84.968628
"1427753"	371.110038	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+H+CF3COOH"	115.000138
"1154759"	190.602051	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+3ACN+2H"	125.094202
"1708690"	388.136585	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+NH4+CF3COOH"	132.026685
"1646527"	393.09198	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+Na+CF3COOH"	136.98208
"1585457"	409.06592	"C10267"	"Loroglossol"	"C16H16O3"	"256.1099"	"M+K+CF3COOH"	152.95602
"809262"	258.0892	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M"	0
"978419"	239.07081	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"65572"	171.052190666667	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"505132"	257.081924	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"885119"	85.0224573333333	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"413"	257.081924	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"442160"	386.126524	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"817523"	128.037324	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"79337"	515.171124	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"526082"	773.260324	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"901698"	257.081924	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"48780"	532.197671	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"487278"	790.286871	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"875625"	274.108471	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"41337"	537.153066	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"485272"	795.242266	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"853231"	279.063866	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1632371"	279.063866	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"106958"	275.070263	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"547611"	404.114863	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"941001"	146.025663	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"279679"	551.147802	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"672831"	809.237002	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1283411"	293.058602	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"21594"	553.127006	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"464442"	811.216206	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"840055"	295.037806	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1563541"	295.037806	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"950335"	303.087394	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"376821"	561.176601	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"354626"	575.192251	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1506011"	317.103051	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"973188"	325.069351	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"125255"	293.058602	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"560563"	422.103202	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1034827"	164.014002	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1254408"	337.008085	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1317950"	339.064072	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1334847"	361.046029	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"926510"	371.074786	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1303468"	407.051464	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1382117"	223.076524	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1395239"	241.0865	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"297110"	517.185676	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"688807"	775.274876	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1363695"	259.096476	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"139503"	259.096476	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"579789"	388.141076	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1050774"	130.051876	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"216481"	173.066742666667	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"654948"	259.096476	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1178054"	87.0370093333333	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"434158"	534.212223	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"795149"	792.301423	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1694761"	276.123023	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"340852"	267.6097495	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"732180"	396.6543495	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1489281"	138.5651495	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"394481"	539.167618	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"766788"	797.256818	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1614883"	281.078418	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"326742"	270.087447	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"718433"	399.132047	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1468973"	141.042847	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1058936"	94.3643233333333	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1266084"	291.122686	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"386850"	555.141558	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"752222"	813.230758	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1554398"	297.052358	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"312181"	278.074417	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"704964"	407.119017	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1457691"	149.029817	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"245198"	558.212226	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1221187"	300.123026	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1200697"	150.565151	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"203534"	561.14956	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"639689"	819.23876	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1137728"	303.06036	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"183206"	281.078418	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"624952"	410.123018	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1128098"	152.033818	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1406518"	101.691637333333	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1437541"	305.101946	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"225052"	286.11144	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1515301"	319.15399	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"414987"	289.065388	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"773793"	418.109988	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1670852"	160.020788	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"255915"	580.194168	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1226071"	322.104968	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1713255"	322.128493	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1179096"	109.018951333333	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1651299"	327.083888	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"157268"	593.09744	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"598320"	851.18664	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1085627"	335.00824	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"142080"	297.052358	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"582494"	426.096958	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1074062"	168.007758	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1099973"	337.022792	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1345847"	337.110407	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1015469"	341.149576	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1539434"	342.143208	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1004909"	171.078426	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1602640"	343.057828	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1427863"	373.089338	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1154869"	191.591701	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1706613"	390.115885	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1644450"	395.07128	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1585567"	411.04522	"C10268"	"Lunularic acid"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"809372"	214.0994	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M"	0
"976343"	195.08101	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"68962"	141.725657333333	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"507428"	213.092124	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"881949"	70.3591906666667	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"1007"	213.092124	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"441536"	320.141824	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"817432"	106.042424	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"80787"	427.191524	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"525099"	641.290924	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"901808"	213.092124	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"48035"	444.218071	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"487304"	658.317471	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"872453"	230.118671	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"39259"	449.173466	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"486114"	663.272866	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"854435"	235.074066	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1633822"	235.074066	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"109499"	231.080463	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"549421"	338.130163	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"942709"	124.030763	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"279789"	463.168202	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"673305"	677.267602	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1283522"	249.068802	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"21704"	465.147406	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"470747"	679.246806	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"843445"	251.048006	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1564745"	251.048006	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"952632"	259.097594	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"376963"	473.197001	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"358016"	487.212651	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1505391"	273.113251	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"973421"	281.079551	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"123297"	249.068802	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"562859"	356.118502	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1034937"	142.019102	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1252329"	293.018285	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1318791"	295.074272	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1335363"	317.056229	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"925891"	327.084986	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1303943"	363.061664	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1381498"	179.086724	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1398146"	197.0967	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"296493"	429.206076	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"690372"	643.305476	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1362346"	215.106676	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"141221"	215.106676	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"579536"	322.156376	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1051858"	108.056976	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"216591"	143.740209333333	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"656517"	215.106676	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1177559"	72.3737426666667	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"436090"	446.232623	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"795259"	660.332023	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1693778"	232.133223	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"343514"	223.6199495	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"732290"	330.6696495	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1487204"	116.5702495	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"394957"	451.188018	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"766533"	665.287418	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1614991"	237.088618	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"326852"	226.097647	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"717449"	333.147347	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1470175"	119.047947	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1059046"	79.7010566666667	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1266194"	247.132886	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"388783"	467.161958	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"753916"	681.261358	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1553653"	253.062558	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"312653"	234.084617	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"705071"	341.134317	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1457801"	127.034917	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"245308"	470.232626	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1220203"	256.133226	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1200805"	128.570251	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"195864"	473.16996	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"634331"	687.26936	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1140025"	259.07056	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"186596"	237.088618	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"625062"	344.138318	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1123102"	130.038918	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1407721"	87.0283706666667	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1440931"	261.112146	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"228442"	242.12164	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1515411"	275.16419	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"416191"	245.075588	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"776092"	352.125288	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1671692"	138.025888	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"256756"	492.214568	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1226545"	278.115168	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1713610"	278.138693	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1179081"	94.3556846666667	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1652138"	283.094088	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"157780"	505.11784	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"598309"	719.21724	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1085738"	291.01844	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"143526"	253.062558	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"583088"	360.112258	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1074172"	146.012858	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1101303"	293.032992	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1343770"	293.120607	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1016672"	297.159776	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1539301"	298.153408	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"1005019"	149.083526	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1601220"	299.068028	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1425786"	329.099538	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1152792"	169.596801	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1708910"	346.126085	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1647840"	351.08148	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1585677"	367.05542	"C10269"	"Lunularin;34-Ethylenebisphenol"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"809482"	440.1624	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M"	0
"976816"	421.14401	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-H2O-H"	-19.01839
"65792"	292.434324	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M-3H"	-3.021828
"504378"	439.155124	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M-3H"	-3.021828
"880600"	145.713524	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-3H"	-3.021828
"387"	439.155124	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M-2H"	-2.014552
"442009"	659.236324	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M-2H"	-2.014552
"819445"	219.073924	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-2H"	-2.014552
"78908"	879.317524	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M-H"	-1.007276
"525209"	1319.479924	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M-H"	-1.007276
"899732"	439.155124	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-H"	-1.007276
"47186"	896.344071	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M-2H+NH4"	16.019271
"487830"	1336.506471	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M-2H+NH4"	16.019271
"872563"	456.181671	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-2H+NH4"	16.019271
"39369"	901.299466	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M-2H+Na"	20.974666
"485492"	1341.461866	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M-2H+Na"	20.974666
"854545"	461.137066	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-2H+Na"	20.974666
"1631738"	461.137066	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Na-2H"	20.974666
"106082"	457.143463	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M-H+Cl"	33.962126
"547828"	677.224663	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M-H+Cl"	33.962126
"936968"	237.062263	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-H+Cl"	33.962126
"279898"	915.294202	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+Cl"	34.969402
"670134"	1355.456602	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+Cl"	34.969402
"1283631"	475.131802	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Cl"	34.969402
"24002"	917.273406	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M-2H+K"	36.948606
"469766"	1357.435806	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M-2H+K"	36.948606
"848218"	477.111006	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-2H+K"	36.948606
"1568135"	477.111006	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+K-2H"	36.948606
"954564"	485.160594	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-H+HCOOH"	44.998194
"376797"	925.323001	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+HCOOH-H"	44.998201
"360882"	939.338651	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+Hac-H"	59.013851
"1507892"	499.176251	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Hac-H"	59.013851
"973651"	507.142551	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-H+NaCOOH"	66.980151
"120124"	475.131802	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+2Cl"	69.938804
"561875"	695.213002	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+2Cl"	69.938804
"1031768"	255.050602	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2Cl"	69.938804
"1249158"	519.081285	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Br"	78.918885
"1317078"	521.137272	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Cl+HCOOH"	80.974872
"1335073"	543.119229	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Cl+NaCOOH"	102.956829
"926981"	553.147986	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M-H+CF3COOH"	112.985586
"1303690"	589.124664	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Cl+CF3COOH"	148.962264
"1381853"	405.149724	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H-2H2O"	-35.012676
"1398364"	423.1597	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H-H2O"	-17.0027
"296968"	881.332076	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+H"	1.007276
"689752"	1321.494476	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+H"	1.007276
"1364276"	441.169676	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H"	1.007276
"139347"	441.169676	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+2H"	2.014552
"579637"	661.250876	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+2H"	2.014552
"1048801"	221.088476	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2H"	2.014552
"214513"	294.448876	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+3H"	3.021828
"657355"	441.169676	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+3H"	3.021828
"1176574"	147.728076	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+3H"	3.021828
"436564"	898.358623	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+NH4"	18.033823
"792089"	1338.521023	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+NH4"	18.033823
"1688420"	458.196223	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+NH4"	18.033823
"335605"	449.6829495	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+H+NH4"	19.041099
"731306"	669.7641495	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+H+NH4"	19.041099
"1482940"	229.6017495	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H+NH4"	19.041099
"395067"	903.314018	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+Na"	22.989218
"767007"	1343.476418	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+Na"	22.989218
"1612915"	463.151618	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Na"	22.989218
"326962"	452.160647	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+H+Na"	23.996494
"718651"	672.241847	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+H+Na"	23.996494
"1470284"	232.079447	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H+Na"	23.996494
"1059155"	155.05539	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2H+Na"	25.00377
"1263025"	473.195886	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+CH3OH+H"	33.033486
"383786"	919.287958	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+K"	38.963158
"753171"	1359.450358	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+K"	38.963158
"1551211"	479.125558	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+K"	38.963158
"307294"	460.147617	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+H+K"	39.970434
"701901"	680.228817	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+H+K"	39.970434
"1456817"	240.066417	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H+K"	39.970434
"243231"	922.358626	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+ACN+H"	42.033826
"1217033"	482.196226	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+ACN+H"	42.033826
"1197268"	241.601751	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+ACN+2H"	43.041102
"195974"	925.29596	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+2Na-H"	44.97116
"634805"	1365.45836	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+2Na-H"	44.97116
"1136489"	485.13356	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2Na-H"	44.97116
"181602"	463.151618	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+2Na"	45.978436
"623349"	683.232818	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+2Na"	45.978436
"1123574"	243.070418	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2Na"	45.978436
"1410018"	162.382704	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H+2Na"	46.985712
"1441043"	487.175146	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H+HCOOH"	47.012746
"226365"	468.18464	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+3H2O+2H"	56.04448
"1519895"	501.22719	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+IsoProp+H"	61.06479
"417393"	471.138588	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+Na+K"	61.952376
"778389"	691.219788	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+Na+K"	61.952376
"1669250"	251.057388	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Na+K"	61.952376
"257960"	944.340568	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+ACN+Na"	64.015768
"1227749"	504.178168	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+ACN+Na"	64.015768
"1713355"	504.201693	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+NH4+HCOOH"	64.039293
"1179803"	169.710018	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+3Na"	68.967654
"1652248"	509.157088	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Na+HCOOH"	68.994688
"158501"	957.24384	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+2K-H"	76.91904
"599391"	1397.40624	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+2K-H"	76.91904
"1087185"	517.08144	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2K-H"	76.91904
"143638"	479.125558	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"2M+2K"	77.926316
"582350"	699.206758	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"3M+2K"	77.926316
"1075374"	259.044358	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2K"	77.926316
"1100803"	519.095992	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2K+H"	78.933592
"1346067"	519.183607	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+DMSO+H"	79.021207
"1014596"	523.222776	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2ACN+H"	83.060376
"1534913"	524.216408	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+IsoProp+Na+H"	84.054008
"1005251"	262.115026	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+2ACN+2H"	84.067652
"1596956"	525.131028	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+K+HCOOH"	84.968628
"1425896"	555.162538	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+H+CF3COOH"	115.000138
"1152902"	282.628301	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+3ACN+2H"	125.094202
"1709020"	572.189085	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+NH4+CF3COOH"	132.026685
"1647950"	577.14448	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+Na+CF3COOH"	136.98208
"1585787"	593.11842	"C10270"	"Marchantin A"	"C28H24O5"	"440.1624"	"M+K+CF3COOH"	152.95602
"809592"	258.1256	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M"	0
"975469"	239.10721	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-H2O-H"	-19.01839
"65902"	171.076457333333	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M-3H"	-3.021828
"503043"	257.118324	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M-3H"	-3.021828
"880095"	85.0345906666667	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-3H"	-3.021828
"174"	257.118324	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M-2H"	-2.014552
"440541"	386.181124	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M-2H"	-2.014552
"818219"	128.055524	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-2H"	-2.014552
"78574"	515.243924	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M-H"	-1.007276
"524226"	773.369524	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M-H"	-1.007276
"899842"	257.118324	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-H"	-1.007276
"47401"	532.270471	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M-2H+NH4"	16.019271
"487405"	790.396071	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M-2H+NH4"	16.019271
"864886"	274.144871	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-2H+NH4"	16.019271
"31938"	537.225866	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M-2H+Na"	20.974666
"485602"	795.351466	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M-2H+Na"	20.974666
"853562"	279.100266	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-2H+Na"	20.974666
"1625288"	279.100266	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Na-2H"	20.974666
"106192"	275.106663	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M-H+Cl"	33.962126
"543566"	404.169463	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M-H+Cl"	33.962126
"935984"	146.043863	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-H+Cl"	33.962126
"276728"	551.220602	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+Cl"	34.969402
"669151"	809.346202	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+Cl"	34.969402
"1282648"	293.095002	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Cl"	34.969402
"25207"	553.199806	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M-2H+K"	36.948606
"469512"	811.325406	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M-2H+K"	36.948606
"846946"	295.074206	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-2H+K"	36.948606
"1564966"	295.074206	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+K-2H"	36.948606
"953945"	303.123794	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-H+HCOOH"	44.998194
"376541"	561.249401	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+HCOOH-H"	44.998201
"360548"	575.265051	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+Hac-H"	59.013851
"1507313"	317.139451	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Hac-H"	59.013851
"970965"	325.105751	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-H+NaCOOH"	66.980151
"120234"	293.095002	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+2Cl"	69.938804
"564779"	422.157802	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+2Cl"	69.938804
"1031878"	164.032202	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2Cl"	69.938804
"1249268"	337.044485	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Br"	78.918885
"1318280"	339.100472	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Cl+HCOOH"	80.974872
"1335347"	361.082429	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Cl+NaCOOH"	102.956829
"927063"	371.111186	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M-H+CF3COOH"	112.985586
"1304049"	407.087864	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Cl+CF3COOH"	148.962264
"1382084"	223.112924	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H-2H2O"	-35.012676
"1398281"	241.1229	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H-H2O"	-17.0027
"297078"	517.258476	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+H"	1.007276
"690956"	775.384076	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+H"	1.007276
"1364387"	259.132876	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H"	1.007276
"139093"	259.132876	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+2H"	2.014552
"574642"	388.195676	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+2H"	2.014552
"1048911"	130.070076	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2H"	2.014552
"211343"	173.091009333333	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+3H"	3.021828
"655277"	259.132876	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+3H"	3.021828
"1177048"	87.0491426666667	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+3H"	3.021828
"431207"	534.285023	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+NH4"	18.033823
"792199"	792.410623	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+NH4"	18.033823
"1687436"	276.159423	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+NH4"	18.033823
"333528"	267.6461495	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+H+NH4"	19.041099
"728136"	396.7089495	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+H+NH4"	19.041099
"1481957"	138.5833495	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H+NH4"	19.041099
"393150"	539.240418	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+Na"	22.989218
"766024"	797.366018	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+Na"	22.989218
"1613025"	281.114818	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Na"	22.989218
"326708"	270.123847	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+H+Na"	23.996494
"717668"	399.186647	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+H+Na"	23.996494
"1470394"	141.061047	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H+Na"	23.996494
"1059265"	94.3764566666667	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2H+Na"	25.00377
"1263135"	291.159086	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+CH3OH+H"	33.033486
"383896"	555.214358	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+K"	38.963158
"752188"	813.339958	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+K"	38.963158
"1551321"	297.088758	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+K"	38.963158
"308497"	278.110817	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+H+K"	39.970434
"699825"	407.173617	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+H+K"	39.970434
"1455833"	149.048017	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H+K"	39.970434
"244433"	558.285026	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+ACN+H"	42.033826
"1218235"	300.159426	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+ACN+H"	42.033826
"1198107"	150.583351	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+ACN+2H"	43.041102
"196084"	561.22236	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+2Na-H"	44.97116
"636737"	819.34796	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+2Na-H"	44.97116
"1135506"	303.09676	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2Na-H"	44.97116
"179525"	281.114818	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+2Na"	45.978436
"623095"	410.177618	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+2Na"	45.978436
"1124413"	152.052018	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2Na"	45.978436
"1411222"	101.703770666667	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H+2Na"	46.985712
"1441152"	305.138346	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H+HCOOH"	47.012746
"230849"	286.14784	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+3H2O+2H"	56.04448
"1517817"	319.19039	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+IsoProp+H"	61.06479
"415316"	289.101788	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+Na+K"	61.952376
"776311"	418.164588	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+Na+K"	61.952376
"1669358"	160.038988	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Na+K"	61.952376
"254421"	580.266968	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+ACN+Na"	64.015768
"1226640"	322.141368	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+ACN+Na"	64.015768
"1713222"	322.164893	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+NH4+HCOOH"	64.039293
"1178813"	109.031084666667	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+3Na"	68.967654
"1652722"	327.120288	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Na+HCOOH"	68.994688
"157518"	593.17024	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+2K-H"	76.91904
"597597"	851.29584	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+2K-H"	76.91904
"1085228"	335.04464	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2K-H"	76.91904
"142529"	297.088758	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"2M+2K"	77.926316
"582208"	426.151558	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"3M+2K"	77.926316
"1072204"	168.025958	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2K"	77.926316
"1100176"	337.059192	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2K+H"	78.933592
"1346177"	337.146807	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+DMSO+H"	79.021207
"1014706"	341.185976	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2ACN+H"	83.060376
"1538061"	342.179608	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+IsoProp+Na+H"	84.054008
"1005200"	171.096626	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+2ACN+2H"	84.067652
"1597066"	343.094228	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+K+HCOOH"	84.968628
"1426006"	373.125738	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+H+CF3COOH"	115.000138
"1153012"	191.609901	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+3ACN+2H"	125.094202
"1710223"	390.152285	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+NH4+CF3COOH"	132.026685
"1648060"	395.10768	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+Na+CF3COOH"	136.98208
"1585897"	411.08162	"C10271"	"3-O-Methylbatatasin III"	"C16H18O3"	"258.1256"	"M+K+CF3COOH"	152.95602
"809702"	256.1099	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M"	0
"975943"	237.09151	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-H2O-H"	-19.01839
"67105"	169.732657333333	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M-3H"	-3.021828
"503747"	255.102624	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M-3H"	-3.021828
"880181"	84.3626906666667	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-3H"	-3.021828
"971"	255.102624	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M-2H"	-2.014552
"441985"	383.157574	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M-2H"	-2.014552
"818939"	127.047674	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-2H"	-2.014552
"79047"	511.212524	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M-H"	-1.007276
"523243"	767.322424	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M-H"	-1.007276
"901045"	255.102624	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-H"	-1.007276
"47352"	528.239071	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M-2H+NH4"	16.019271
"487439"	784.348971	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M-2H+NH4"	16.019271
"864554"	272.129171	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-2H+NH4"	16.019271
"31931"	533.194466	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M-2H+Na"	20.974666
"476964"	789.304366	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M-2H+Na"	20.974666
"853672"	277.084566	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-2H+Na"	20.974666
"1628678"	277.084566	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Na-2H"	20.974666
"101928"	273.090963	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M-H+Cl"	33.962126
"544768"	401.145913	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M-H+Cl"	33.962126
"936095"	145.036013	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-H+Cl"	33.962126
"276838"	547.189202	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+Cl"	34.969402
"671447"	803.299102	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+Cl"	34.969402
"1283850"	291.079302	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Cl"	34.969402
"25315"	549.168406	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M-2H+K"	36.948606
"469989"	805.278306	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M-2H+K"	36.948606
"846330"	293.058506	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-2H+K"	36.948606
"1566170"	293.058506	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+K-2H"	36.948606
"952962"	301.108094	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-H+HCOOH"	44.998194
"375559"	557.218001	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+HCOOH-H"	44.998201
"359442"	571.233651	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+Hac-H"	59.013851
"1506450"	315.123751	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Hac-H"	59.013851
"972169"	323.090051	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-H+NaCOOH"	66.980151
"120344"	291.079302	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+2Cl"	69.938804
"564281"	419.134252	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+2Cl"	69.938804
"1034173"	163.024352	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2Cl"	69.938804
"1249378"	335.028785	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Br"	78.918885
"1317297"	337.084772	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Cl+HCOOH"	80.974872
"1331512"	359.066729	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Cl+NaCOOH"	102.956829
"925858"	369.095486	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M-H+CF3COOH"	112.985586
"1304077"	405.072164	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Cl+CF3COOH"	148.962264
"1382072"	221.097224	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H-2H2O"	-35.012676
"1397862"	239.1072	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H-H2O"	-17.0027
"297188"	513.227076	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+H"	1.007276
"691295"	769.336976	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+H"	1.007276
"1365226"	257.117176	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H"	1.007276
"139203"	257.117176	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+2H"	2.014552
"574752"	385.172126	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+2H"	2.014552
"1049021"	129.062226	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2H"	2.014552
"211453"	171.747209333333	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+3H"	3.021828
"654294"	257.117176	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+3H"	3.021828
"1176429"	86.3772426666667	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+3H"	3.021828
"431317"	530.253623	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+NH4"	18.033823
"790123"	786.363523	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+NH4"	18.033823
"1687548"	274.143723	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+NH4"	18.033823
"335826"	265.6304495	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+H+NH4"	19.041099
"732619"	393.6853995	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+H+NH4"	19.041099
"1482068"	137.5754995	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H+NH4"	19.041099
"393098"	535.209018	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+Na"	22.989218
"767227"	791.318918	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+Na"	22.989218
"1613135"	279.099118	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Na"	22.989218
"327184"	268.108147	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+H+Na"	23.996494
"714499"	396.163097	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+H+Na"	23.996494
"1463944"	140.053197	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H+Na"	23.996494
"1059375"	93.7045566666666	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2H+Na"	25.00377
"1261055"	289.143386	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+CH3OH+H"	33.033486
"382912"	551.182958	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+K"	38.963158
"750476"	807.292858	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+K"	38.963158
"1549245"	295.073058	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+K"	38.963158
"306421"	276.095117	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+H+K"	39.970434
"701028"	404.150067	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+H+K"	39.970434
"1457037"	148.040167	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H+K"	39.970434
"246730"	554.253626	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+ACN+H"	42.033826
"1216158"	298.143726	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+ACN+H"	42.033826
"1198217"	149.575501	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+ACN+2H"	43.041102
"198015"	557.19096	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+2Na-H"	44.97116
"636846"	813.30086	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+2Na-H"	44.97116
"1138167"	301.08106	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2Na-H"	44.97116
"180364"	279.099118	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+2Na"	45.978436
"623205"	407.154068	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+2Na"	45.978436
"1120514"	151.044168	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2Na"	45.978436
"1409512"	101.031870666667	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H+2Na"	46.985712
"1437983"	303.122646	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H+HCOOH"	47.012746
"226587"	284.13214	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+3H2O+2H"	56.04448
"1517563"	317.17469	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+IsoProp+H"	61.06479
"416519"	287.086088	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+Na+K"	61.952376
"770953"	415.141038	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+Na+K"	61.952376
"1669467"	159.031138	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Na+K"	61.952376
"252335"	576.235568	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+ACN+Na"	64.015768
"1226504"	320.125668	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+ACN+Na"	64.015768
"1713569"	320.149193	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+NH4+HCOOH"	64.039293
"1179207"	108.359184666667	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+3Na"	68.967654
"1650027"	325.104588	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Na+HCOOH"	68.994688
"157582"	589.13884	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+2K-H"	76.91904
"597421"	845.24874	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+2K-H"	76.91904
"1085702"	333.02894	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2K-H"	76.91904
"142516"	295.073058	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"2M+2K"	77.926316
"582321"	423.128008	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"3M+2K"	77.926316
"1071221"	167.018108	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2K"	77.926316
"1100057"	335.043492	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2K+H"	78.933592
"1345194"	335.131107	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+DMSO+H"	79.021207
"1011536"	339.170276	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2ACN+H"	83.060376
"1539712"	340.163908	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+IsoProp+Na+H"	84.054008
"1005575"	170.088776	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+2ACN+2H"	84.067652
"1597176"	341.078528	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+K+HCOOH"	84.968628
"1425023"	371.110038	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+H+CF3COOH"	115.000138
"1153122"	190.602051	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+3ACN+2H"	125.094202
"1710334"	388.136585	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+NH4+CF3COOH"	132.026685
"1648170"	393.09198	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+Na+CF3COOH"	136.98208
"1586007"	409.06592	"C10272"	"Orchinol;910-Dihydro-57-dimethoxyphenanthren-2-ol"	"C16H16O3"	"256.1099"	"M+K+CF3COOH"	152.95602
"809812"	244.0736	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M"	0
"977876"	225.05521	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-H2O-H"	-19.01839
"66485"	161.708457333333	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M-3H"	-3.021828
"503857"	243.066324	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M-3H"	-3.021828
"881535"	80.3505906666667	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-3H"	-3.021828
"2054"	243.066324	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M-2H"	-2.014552
"441977"	365.103124	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M-2H"	-2.014552
"820871"	121.029524	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-2H"	-2.014552
"79401"	487.139924	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M-H"	-1.007276
"523353"	731.213524	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M-H"	-1.007276
"901155"	243.066324	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-H"	-1.007276
"48113"	504.166471	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M-2H+NH4"	16.019271
"488280"	748.240071	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M-2H+NH4"	16.019271
"865474"	260.092871	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-2H+NH4"	16.019271
"32527"	509.121866	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M-2H+Na"	20.974666
"478166"	753.195466	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M-2H+Na"	20.974666
"853782"	265.048266	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-2H+Na"	20.974666
"1622591"	265.048266	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Na-2H"	20.974666
"102038"	261.054663	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M-H+Cl"	33.962126
"542691"	383.091463	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M-H+Cl"	33.962126
"936205"	139.017863	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-H+Cl"	33.962126
"275855"	523.116602	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+Cl"	34.969402
"671557"	767.190202	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+Cl"	34.969402
"1285054"	279.043002	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Cl"	34.969402
"23238"	525.095806	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M-2H+K"	36.948606
"468883"	769.169406	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M-2H+K"	36.948606
"846682"	281.022206	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-2H+K"	36.948606
"1564093"	281.022206	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+K-2H"	36.948606
"953801"	289.071794	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-H+HCOOH"	44.998194
"376033"	533.145401	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+HCOOH-H"	44.998201
"359916"	547.161051	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+Hac-H"	59.013851
"1504009"	303.087451	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Hac-H"	59.013851
"970089"	311.053751	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-H+NaCOOH"	66.980151
"120454"	279.043002	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+2Cl"	69.938804
"560013"	401.079802	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+2Cl"	69.938804
"1032095"	157.006202	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2Cl"	69.938804
"1249488"	322.992485	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Br"	78.918885
"1318136"	325.048472	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Cl+HCOOH"	80.974872
"1330529"	347.030429	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Cl+NaCOOH"	102.956829
"926454"	357.059186	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M-H+CF3COOH"	112.985586
"1303904"	393.035864	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Cl+CF3COOH"	148.962264
"1382623"	209.060924	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H-2H2O"	-35.012676
"1397975"	227.0709	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H-H2O"	-17.0027
"298024"	489.154476	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+H"	1.007276
"690446"	733.228076	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+H"	1.007276
"1366064"	245.080876	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H"	1.007276
"133117"	245.080876	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+2H"	2.014552
"571582"	367.117676	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+2H"	2.014552
"1048403"	123.044076	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2H"	2.014552
"211563"	163.723009333333	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+3H"	3.021828
"652217"	245.080876	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+3H"	3.021828
"1175446"	82.3651426666667	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+3H"	3.021828
"431427"	506.181023	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+NH4"	18.033823
"791326"	750.254623	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+NH4"	18.033823
"1686564"	262.107423	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+NH4"	18.033823
"335935"	253.5941495	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+H+NH4"	19.041099
"731636"	375.6309495	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+H+NH4"	19.041099
"1484364"	131.5573495	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H+NH4"	19.041099
"393087"	511.136418	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+Na"	22.989218
"764053"	755.210018	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+Na"	22.989218
"1611057"	267.062818	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Na"	22.989218
"321095"	256.071847	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+H+Na"	23.996494
"713514"	378.108647	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+H+Na"	23.996494
"1464054"	134.035047	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H+Na"	23.996494
"1055109"	89.6924566666667	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2H+Na"	25.00377
"1258004"	277.107086	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+CH3OH+H"	33.033486
"379743"	527.110358	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+K"	38.963158
"750586"	771.183958	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+K"	38.963158
"1549355"	283.036758	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+K"	38.963158
"306531"	264.058817	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+H+K"	39.970434
"697859"	386.095617	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+H+K"	39.970434
"1454960"	142.022017	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H+K"	39.970434
"242467"	530.181026	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+ACN+H"	42.033826
"1215539"	286.107426	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+ACN+H"	42.033826
"1198327"	143.557351	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+ACN+2H"	43.041102
"196303"	533.11836	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+2Na-H"	44.97116
"635863"	777.19196	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+2Na-H"	44.97116
"1137184"	289.04476	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2Na-H"	44.97116
"179745"	267.062818	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+2Na"	45.978436
"620399"	389.099618	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+2Na"	45.978436
"1121717"	145.026018	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2Na"	45.978436
"1407068"	97.0197706666667	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H+2Na"	46.985712
"1436998"	291.086346	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H+HCOOH"	47.012746
"226697"	272.09584	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+3H2O+2H"	56.04448
"1515850"	305.13839	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+IsoProp+H"	61.06479
"411890"	275.049788	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+Na+K"	61.952376
"772276"	397.086588	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+Na+K"	61.952376
"1672858"	153.012988	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Na+K"	61.952376
"255003"	552.162968	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+ACN+Na"	64.015768
"1227345"	308.089368	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+ACN+Na"	64.015768
"1714772"	308.112893	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+NH4+HCOOH"	64.039293
"1179156"	104.347084666667	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+3Na"	68.967654
"1650501"	313.068288	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Na+HCOOH"	68.994688
"157325"	565.06624	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+2K-H"	76.91904
"597694"	809.13984	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+2K-H"	76.91904
"1085448"	320.99264	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2K-H"	76.91904
"142263"	283.036758	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"2M+2K"	77.926316
"582434"	405.073558	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"3M+2K"	77.926316
"1070223"	160.999958	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2K"	77.926316
"1101615"	323.007192	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2K+H"	78.933592
"1345304"	323.094807	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+DMSO+H"	79.021207
"1009457"	327.133976	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2ACN+H"	83.060376
"1539134"	328.127608	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+IsoProp+Na+H"	84.054008
"1004728"	164.070626	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+2ACN+2H"	84.067652
"1594005"	329.042228	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+K+HCOOH"	84.968628
"1419665"	359.073738	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+H+CF3COOH"	115.000138
"1149952"	184.583901	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+3ACN+2H"	125.094202
"1711538"	376.100285	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+NH4+CF3COOH"	132.026685
"1647187"	381.05568	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+Na+CF3COOH"	136.98208
"1586117"	397.02962	"C10273"	"Oxyresveratrol"	"C14H12O4"	"244.0736"	"M+K+CF3COOH"	152.95602
"811015"	286.0841	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M"	0
"977986"	267.06571	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"66231"	189.715457333333	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"503723"	285.076824	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"881038"	94.3540906666667	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"1070"	285.076824	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"441114"	428.118874	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"819524"	142.034774	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"78906"	571.160924	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"523463"	857.245024	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"900172"	285.076824	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"48346"	588.187471	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"488148"	874.271571	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"866923"	302.103371	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"33974"	593.142866	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"478276"	879.226966	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"857172"	307.058766	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1623065"	307.058766	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"102148"	303.065163	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"537697"	446.107213	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"934128"	160.023113	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"279245"	607.137602	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"669480"	893.221702	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1284071"	321.053502	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"27722"	609.116806	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"470204"	895.200906	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"846916"	323.032706	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1570401"	323.032706	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"952089"	331.082294	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"376019"	617.166401	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"360267"	631.182051	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1507034"	345.097951	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"972022"	353.064251	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"121657"	321.053502	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"562310"	464.095552	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1033299"	178.011452	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1251785"	365.002985	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1318976"	367.058972	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1331732"	389.040929	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"926812"	399.069686	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1303851"	435.046364	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1382175"	251.071424	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1397356"	269.0814	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"298341"	573.175476	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"690922"	859.259576	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1363618"	287.091376	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"133227"	287.091376	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"573879"	430.133426	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1051429"	144.049326	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"212766"	191.730009333333	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"653420"	287.091376	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1175920"	96.3686426666667	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"431537"	590.202023	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"789614"	876.286123	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1686674"	304.117923	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"337139"	295.6046495	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"729560"	438.6466995	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1484475"	152.5625995	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"394533"	595.157418	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"765256"	881.241518	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1612259"	309.073318	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"320108"	298.082347	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"711434"	441.124397	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1467442"	155.040297	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1055218"	103.695956666667	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1257989"	319.117586	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"384223"	611.131358	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"749599"	897.215458	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1549465"	325.047258	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"305549"	306.069317	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"701248"	449.111367	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1452885"	163.027267	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"246950"	614.202026	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1217471"	328.117926	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1201353"	164.562601	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"196412"	617.13936	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"637066"	903.22346	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1140573"	331.05526	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"182770"	309.073318	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"621602"	452.115368	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1120732"	166.031268	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1409365"	111.023270666667	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1441119"	333.096846	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"227901"	314.10634	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1515960"	347.14889	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"416739"	317.060288	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"776641"	460.102338	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1675155"	174.018238	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"256208"	636.183968	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1230736"	350.099868	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1713912"	350.123393	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1179024"	118.350584666667	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1650125"	355.078788	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"157721"	649.08724	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"598009"	935.17134	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1084827"	363.00314	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"142250"	325.047258	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"582180"	468.089308	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1069970"	182.005208	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1100993"	365.017692	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1337501"	365.105307	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1011753"	369.144476	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1538028"	370.138108	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"1004110"	185.075876	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1594115"	371.052728	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1419775"	401.084238	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1150062"	205.589151	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1712219"	418.110785	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1647297"	423.06618	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1586227"	439.04012	"C10274"	"Phyllodulcin"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"810032"	390.1315	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M"	0
"978096"	371.11311	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-H2O-H"	-19.01839
"63425"	259.080390666667	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M-3H"	-3.021828
"504806"	389.124224	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M-3H"	-3.021828
"882606"	129.036557333333	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-3H"	-3.021828
"2273"	389.124224	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M-2H"	-2.014552
"440116"	584.189974	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M-2H"	-2.014552
"818539"	194.058474	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-2H"	-2.014552
"80111"	779.255724	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M-H"	-1.007276
"519308"	1169.387224	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M-H"	-1.007276
"902470"	389.124224	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-H"	-1.007276
"51375"	796.282271	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M-2H+NH4"	16.019271
"489841"	1186.413771	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M-2H+NH4"	16.019271
"867644"	406.150771	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-2H+NH4"	16.019271
"34083"	801.237666	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M-2H+Na"	20.974666
"478386"	1191.369166	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M-2H+Na"	20.974666
"854002"	411.106166	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-2H+Na"	20.974666
"1625726"	411.106166	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Na-2H"	20.974666
"102258"	407.112563	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M-H+Cl"	33.962126
"538537"	602.178313	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M-H+Cl"	33.962126
"932051"	212.046813	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-H+Cl"	33.962126
"279356"	815.232402	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+Cl"	34.969402
"669590"	1205.363902	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+Cl"	34.969402
"1287585"	425.100902	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Cl"	34.969402
"30019"	817.211606	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M-2H+K"	36.948606
"470922"	1207.343106	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M-2H+K"	36.948606
"847388"	427.080106	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-2H+K"	36.948606
"1570147"	427.080106	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+K-2H"	36.948606
"954384"	435.129694	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-H+HCOOH"	44.998194
"368227"	825.261201	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+HCOOH-H"	44.998201
"351015"	839.276851	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+Hac-H"	59.013851
"1506050"	449.145351	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Hac-H"	59.013851
"966299"	457.111651	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-H+NaCOOH"	66.980151
"118486"	425.100902	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+2Cl"	69.938804
"562420"	620.166652	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+2Cl"	69.938804
"1026845"	230.035152	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2Cl"	69.938804
"1251895"	469.050385	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Br"	78.918885
"1317996"	471.106372	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Cl+HCOOH"	80.974872
"1330749"	493.088329	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Cl+NaCOOH"	102.956829
"926514"	503.117086	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M-H+CF3COOH"	112.985586
"1303759"	539.093764	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Cl+CF3COOH"	148.962264
"1382528"	355.118824	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H-2H2O"	-35.012676
"1398073"	373.1288	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H-H2O"	-17.0027
"297515"	781.270276	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+H"	1.007276
"690300"	1171.401776	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+H"	1.007276
"1361543"	391.138776	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H"	1.007276
"132244"	391.138776	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+2H"	2.014552
"573989"	586.204526	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+2H"	2.014552
"1050083"	196.073026	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2H"	2.014552
"214336"	261.094942666667	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+3H"	3.021828
"652437"	391.138776	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+3H"	3.021828
"1176031"	131.051109333333	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+3H"	3.021828
"433834"	798.296823	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+NH4"	18.033823
"790088"	1188.428323	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+NH4"	18.033823
"1687879"	408.165323	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+NH4"	18.033823
"337250"	399.6520495	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+H+NH4"	19.041099
"732951"	594.7177995	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+H+NH4"	19.041099
"1487502"	204.5862995	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H+NH4"	19.041099
"394523"	803.252218	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+Na"	22.989218
"767190"	1193.383718	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+Na"	22.989218
"1610184"	413.120718	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Na"	22.989218
"322407"	402.129747	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+H+Na"	23.996494
"710815"	597.195497	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+H+Na"	23.996494
"1467552"	207.063997	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H+Na"	23.996494
"1055328"	138.378423333333	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2H+Na"	25.00377
"1257856"	423.164986	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+CH3OH+H"	33.033486
"385428"	819.226158	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+K"	38.963158
"748614"	1209.357658	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+K"	38.963158
"1552854"	429.094658	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+K"	38.963158
"305658"	410.116717	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+H+K"	39.970434
"703544"	605.182467	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+H+K"	39.970434
"1457365"	215.050967	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H+K"	39.970434
"244873"	822.296826	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+ACN+H"	42.033826
"1217581"	432.165326	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+ACN+H"	42.033826
"1201463"	216.586301	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+ACN+2H"	43.041102
"195428"	825.23416	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+2Na-H"	44.97116
"640456"	1215.36566	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+2Na-H"	44.97116
"1146029"	435.10266	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2Na-H"	44.97116
"179600"	413.120718	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+2Na"	45.978436
"616973"	608.186468	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+2Na"	45.978436
"1117925"	218.054968	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2Na"	45.978436
"1404002"	145.705737333333	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H+2Na"	46.985712
"1442678"	437.144246	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H+HCOOH"	47.012746
"226908"	418.15374	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+3H2O+2H"	56.04448
"1519350"	451.19629	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+IsoProp+H"	61.06479
"419035"	421.107688	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+Na+K"	61.952376
"780032"	616.173438	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+Na+K"	61.952376
"1674172"	226.041938	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Na+K"	61.952376
"255586"	844.278768	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+ACN+Na"	64.015768
"1227930"	454.147268	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+ACN+Na"	64.015768
"1713901"	454.170793	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+NH4+HCOOH"	64.039293
"1178892"	153.033051333333	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+3Na"	68.967654
"1649910"	459.126188	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Na+HCOOH"	68.994688
"157466"	857.18204	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+2K-H"	76.91904
"597146"	1247.31354	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+2K-H"	76.91904
"1084448"	467.05054	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2K-H"	76.91904
"141670"	429.094658	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"2M+2K"	77.926316
"581643"	624.160408	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"3M+2K"	77.926316
"1068985"	234.028908	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2K"	77.926316
"1100497"	469.065092	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2K+H"	78.933592
"1335789"	469.152707	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+DMSO+H"	79.021207
"1006024"	473.191876	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2ACN+H"	83.060376
"1539717"	474.185508	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+IsoProp+Na+H"	84.054008
"1003003"	237.099576	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+2ACN+2H"	84.067652
"1597504"	475.100128	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+K+HCOOH"	84.968628
"1422071"	505.131638	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+H+CF3COOH"	115.000138
"1150172"	257.612851	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+3ACN+2H"	125.094202
"1712688"	522.158185	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+NH4+CF3COOH"	132.026685
"1647043"	527.11358	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+Na+CF3COOH"	136.98208
"1586337"	543.08752	"C10275"	"Piceid;Polydatin;345-Trihydroxystilbene-3-beta-monoglucoside"	"C20H22O8"	"390.1315"	"M+K+CF3COOH"	152.95602
"806862"	226.0994	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M"	0
"978206"	207.08101	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-H2O-H"	-19.01839
"65357"	149.725657333333	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M-3H"	-3.021828
"504915"	225.092124	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M-3H"	-3.021828
"880569"	74.3591906666667	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-3H"	-3.021828
"390"	225.092124	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M-2H"	-2.014552
"440235"	338.141824	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M-2H"	-2.014552
"817390"	112.042424	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-2H"	-2.014552
"83017"	451.191524	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M-H"	-1.007276
"519419"	677.290924	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M-H"	-1.007276
"902580"	225.092124	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-H"	-1.007276
"51121"	468.218071	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M-2H+NH4"	16.019271
"491409"	694.317471	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M-2H+NH4"	16.019271
"865444"	242.118671	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-2H+NH4"	16.019271
"31720"	473.173466	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M-2H+Na"	20.974666
"479591"	699.272866	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M-2H+Na"	20.974666
"853018"	247.074066	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-2H+Na"	20.974666
"1622921"	247.074066	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Na-2H"	20.974666
"100181"	243.080463	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M-H+Cl"	33.962126
"538647"	356.130163	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M-H+Cl"	33.962126
"934348"	130.030763	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-H+Cl"	33.962126
"281898"	487.168202	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+Cl"	34.969402
"672981"	713.267602	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+Cl"	34.969402
"1286844"	261.068802	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Cl"	34.969402
"27943"	489.147406	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M-2H+K"	36.948606
"468966"	715.246806	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M-2H+K"	36.948606
"847497"	263.048006	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-2H+K"	36.948606
"1569893"	263.048006	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+K-2H"	36.948606
"954494"	271.097594	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-H+HCOOH"	44.998194
"369430"	497.197001	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+HCOOH-H"	44.998201
"350032"	511.212651	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+Hac-H"	59.013851
"1497770"	285.113251	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Hac-H"	59.013851
"964218"	293.079551	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-H+NaCOOH"	66.980151
"118596"	261.068802	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+2Cl"	69.938804
"554875"	374.118502	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+2Cl"	69.938804
"1025860"	148.019102	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2Cl"	69.938804
"1250911"	305.018285	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Br"	78.918885
"1317742"	307.074272	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Cl+HCOOH"	80.974872
"1333775"	329.056229	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Cl+NaCOOH"	102.956829
"925207"	339.084986	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M-H+CF3COOH"	112.985586
"1304096"	375.061664	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Cl+CF3COOH"	148.962264
"1382393"	191.086724	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H-2H2O"	-35.012676
"1396481"	209.0967	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H-H2O"	-17.0027
"297627"	453.206076	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+H"	1.007276
"689317"	679.305476	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+H"	1.007276
"1362017"	227.106676	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H"	1.007276
"133447"	227.106676	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+2H"	2.014552
"574099"	340.156376	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+2H"	2.014552
"1050557"	114.056976	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2H"	2.014552
"214446"	151.740209333333	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+3H"	3.021828
"654735"	227.106676	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+3H"	3.021828
"1175413"	76.3737426666667	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+3H"	3.021828
"430664"	470.232623	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+NH4"	18.033823
"788376"	696.332023	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+NH4"	18.033823
"1687989"	244.133223	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+NH4"	18.033823
"340640"	235.6199495	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+H+NH4"	19.041099
"735978"	348.6696495	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+H+NH4"	19.041099
"1487976"	122.5702495	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H+NH4"	19.041099
"394997"	475.188018	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+Na"	22.989218
"763289"	701.287418	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+Na"	22.989218
"1610294"	249.088618	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Na"	22.989218
"321421"	238.097647	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+H+Na"	23.996494
"709468"	351.147347	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+H+Na"	23.996494
"1467662"	125.047947	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H+Na"	23.996494
"1054709"	83.7010566666667	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2H+Na"	25.00377
"1257967"	259.132886	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+CH3OH+H"	33.033486
"384445"	491.161958	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+K"	38.963158
"749817"	717.261358	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+K"	38.963158
"1549684"	265.062558	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+K"	38.963158
"305768"	246.084617	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+H+K"	39.970434
"698187"	359.134317	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+H+K"	39.970434
"1454195"	133.034917	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H+K"	39.970434
"242795"	494.232626	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+ACN+H"	42.033826
"1217690"	268.133226	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+ACN+H"	42.033826
"1201572"	134.570251	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+ACN+2H"	43.041102
"194444"	497.16996	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+2Na-H"	44.97116
"637286"	723.26936	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+2Na-H"	44.97116
"1137513"	271.07056	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2Na-H"	44.97116
"177886"	249.088618	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+2Na"	45.978436
"617083"	362.138318	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+2Na"	45.978436
"1122774"	136.038918	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2Na"	45.978436
"1404476"	91.0283706666667	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H+2Na"	46.985712
"1439509"	273.112146	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H+HCOOH"	47.012746
"232483"	254.12164	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+3H2O+2H"	56.04448
"1516180"	287.16419	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+IsoProp+H"	61.06479
"413678"	257.075588	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+Na+K"	61.952376
"779047"	370.125288	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+Na+K"	61.952376
"1672096"	144.025888	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Na+K"	61.952376
"254968"	516.214568	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+ACN+Na"	64.015768
"1229500"	290.115168	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+ACN+Na"	64.015768
"1712947"	290.138693	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+NH4+HCOOH"	64.039293
"1178759"	98.3556846666667	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+3Na"	68.967654
"1649872"	295.094088	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Na+HCOOH"	68.994688
"157200"	529.11784	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+2K-H"	76.91904
"597101"	755.21724	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+2K-H"	76.91904
"1084311"	303.01844	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2K-H"	76.91904
"141573"	265.062558	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"2M+2K"	77.926316
"581589"	378.112258	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"3M+2K"	77.926316
"1068685"	152.012858	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2K"	77.926316
"1100114"	305.032992	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2K+H"	78.933592
"1335969"	305.120607	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+DMSO+H"	79.021207
"1005651"	309.159776	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2ACN+H"	83.060376
"1539467"	310.153408	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+IsoProp+Na+H"	84.054008
"1003113"	155.083526	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+2ACN+2H"	84.067652
"1598707"	311.068028	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+K+HCOOH"	84.968628
"1422181"	341.099538	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+H+CF3COOH"	115.000138
"1150282"	175.596801	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+3ACN+2H"	125.094202
"1712360"	358.126085	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+NH4+CF3COOH"	132.026685
"1645330"	363.08148	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+Na+CF3COOH"	136.98208
"1586447"	379.05542	"C10276"	"Pinosylvin methyl ether;5-Methoxy-3-stilbenol"	"C15H14O2"	"226.0994"	"M+K+CF3COOH"	152.95602
"813532"	351.1682	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M"	0
"983784"	332.14981	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-H2O-H"	-19.01839
"69841"	233.104857333333	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M-3H"	-3.021828
"507213"	350.160924	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M-3H"	-3.021828
"883919"	116.048790666667	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-3H"	-3.021828
"3587"	350.160924	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M-2H"	-2.014552
"444241"	525.745024	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M-2H"	-2.014552
"820219"	174.576824	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-2H"	-2.014552
"82398"	701.329124	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M-H"	-1.007276
"523787"	1052.497324	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M-H"	-1.007276
"909862"	350.160924	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-H"	-1.007276
"51597"	718.355671	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M-2H+NH4"	16.019271
"492977"	1069.523871	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M-2H+NH4"	16.019271
"874426"	367.187471	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-2H+NH4"	16.019271
"37950"	723.311066	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M-2H+Na"	20.974666
"481889"	1074.479266	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M-2H+Na"	20.974666
"860784"	372.142866	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-2H+Na"	20.974666
"1628862"	372.142866	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Na-2H"	20.974666
"105760"	368.149263	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M-H+Cl"	33.962126
"544225"	543.733363	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M-H+Cl"	33.962126
"939928"	192.565163	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-H+Cl"	33.962126
"280188"	737.305802	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+Cl"	34.969402
"674554"	1088.474002	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+Cl"	34.969402
"1286106"	386.137602	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Cl"	34.969402
"29513"	739.285006	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M-2H+K"	36.948606
"470984"	1090.453206	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M-2H+K"	36.948606
"848459"	388.116806	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-2H+K"	36.948606
"1570655"	388.116806	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+K-2H"	36.948606
"958311"	396.166394	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-H+HCOOH"	44.998194
"370633"	747.334601	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+HCOOH-H"	44.998201
"353422"	761.350251	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+Hac-H"	59.013851
"1500067"	410.182051	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Hac-H"	59.013851
"963236"	418.148351	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-H+NaCOOH"	66.980151
"114694"	386.137602	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+2Cl"	69.938804
"554985"	561.721702	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+2Cl"	69.938804
"1027064"	210.553502	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2Cl"	69.938804
"1253209"	430.087085	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Br"	78.918885
"1309097"	432.143072	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Cl+HCOOH"	80.974872
"1324405"	454.125029	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Cl+NaCOOH"	102.956829
"926038"	464.153786	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M-H+CF3COOH"	112.985586
"1303730"	500.130464	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Cl+CF3COOH"	148.962264
"1380189"	316.155524	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H-2H2O"	-35.012676
"1395498"	334.1655	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H-H2O"	-17.0027
"297616"	703.343676	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+H"	1.007276
"688700"	1054.511876	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+H"	1.007276
"1364317"	352.175476	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H"	1.007276
"137572"	352.175476	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+2H"	2.014552
"578588"	527.759576	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+2H"	2.014552
"1046290"	176.591376	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2H"	2.014552
"216016"	235.119409333333	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+3H"	3.021828
"655210"	352.175476	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+3H"	3.021828
"1172970"	118.063342666667	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+3H"	3.021828
"428221"	720.370223	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+NH4"	18.033823
"791770"	1071.538423	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+NH4"	18.033823
"1688100"	369.202023	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+NH4"	18.033823
"335284"	360.6887495	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+H+NH4"	19.041099
"734265"	536.2728495	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+H+NH4"	19.041099
"1489909"	185.1046495	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H+NH4"	19.041099
"398024"	725.325618	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+Na"	22.989218
"766319"	1076.493818	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+Na"	22.989218
"1615144"	374.157418	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Na"	22.989218
"321534"	363.166447	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+H+Na"	23.996494
"712862"	538.750547	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+H+Na"	23.996494
"1467772"	187.582347	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H+Na"	23.996494
"1059924"	125.390656666667	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2H+Na"	25.00377
"1260873"	384.201686	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+CH3OH+H"	33.033486
"384553"	741.299558	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+K"	38.963158
"749563"	1092.467758	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+K"	38.963158
"1549789"	390.131358	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+K"	38.963158
"305878"	371.153417	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+H+K"	39.970434
"695020"	546.737517	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+H+K"	39.970434
"1451026"	195.569317	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H+K"	39.970434
"244000"	744.370226	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+ACN+H"	42.033826
"1218896"	393.202026	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+ACN+H"	42.033826
"1199496"	197.104651	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+ACN+2H"	43.041102
"193461"	747.30756	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+2Na-H"	44.97116
"638493"	1098.47576	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+2Na-H"	44.97116
"1143089"	396.13936	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2Na-H"	44.97116
"184923"	374.157418	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+2Na"	45.978436
"623753"	549.741518	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+2Na"	45.978436
"1121061"	198.573318	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2Na"	45.978436
"1404223"	132.717970666667	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H+2Na"	46.985712
"1439619"	398.180946	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H+HCOOH"	47.012746
"230406"	379.19044	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+3H2O+2H"	56.04448
"1518478"	412.23299	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+IsoProp+H"	61.06479
"417072"	382.144388	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+Na+K"	61.952376
"778064"	557.728488	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+Na+K"	61.952376
"1668929"	206.560288	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Na+K"	61.952376
"255448"	766.352168	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+ACN+Na"	64.015768
"1227423"	415.183968	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+ACN+Na"	64.015768
"1717767"	415.207493	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+NH4+HCOOH"	64.039293
"1185679"	140.045284666667	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+3Na"	68.967654
"1654478"	420.162888	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Na+HCOOH"	68.994688
"158173"	779.25544	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+2K-H"	76.91904
"603087"	1130.42364	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+2K-H"	76.91904
"1084595"	428.08724	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2K-H"	76.91904
"141981"	390.131358	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"2M+2K"	77.926316
"582105"	565.715458	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"3M+2K"	77.926316
"1073957"	214.547258	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2K"	77.926316
"1100967"	430.101792	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2K+H"	78.933592
"1335680"	430.189407	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+DMSO+H"	79.021207
"1017550"	434.228576	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2ACN+H"	83.060376
"1539533"	435.222208	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+IsoProp+Na+H"	84.054008
"1004316"	217.617926	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+2ACN+2H"	84.067652
"1600640"	436.136828	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+K+HCOOH"	84.968628
"1425571"	466.168338	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+H+CF3COOH"	115.000138
"1150392"	238.131201	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+3ACN+2H"	125.094202
"1710883"	483.194885	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+NH4+CF3COOH"	132.026685
"1648356"	488.15028	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+Na+CF3COOH"	136.98208
"1586557"	504.12422	"C10277"	"Anacrotine"	"C18H25NO6"	"351.1682"	"M+K+CF3COOH"	152.95602
"810362"	237.1365	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M"	0
"980614"	218.11811	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-H2O-H"	-19.01839
"64483"	157.083724	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M-3H"	-3.021828
"504042"	236.129224	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M-3H"	-3.021828
"880382"	78.038224	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-3H"	-3.021828
"293"	236.129224	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M-2H"	-2.014552
"440334"	354.697474	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M-2H"	-2.014552
"817648"	117.560974	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-2H"	-2.014552
"78740"	473.265724	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M-H"	-1.007276
"522804"	710.402224	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M-H"	-1.007276
"902800"	236.129224	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-H"	-1.007276
"51342"	490.292271	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M-2H+NH4"	16.019271
"494545"	727.428771	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M-2H+NH4"	16.019271
"874536"	253.155771	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-2H+NH4"	16.019271
"39153"	495.247666	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M-2H+Na"	20.974666
"481999"	732.384166	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M-2H+Na"	20.974666
"857614"	258.111166	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-2H+Na"	20.974666
"1630066"	258.111166	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Na-2H"	20.974666
"106236"	254.117563	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M-H+Cl"	33.962126
"546889"	372.685813	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M-H+Cl"	33.962126
"938218"	135.549313	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-H+Cl"	33.962126
"281024"	509.242402	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+Cl"	34.969402
"673328"	746.378902	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+Cl"	34.969402
"1285605"	272.105902	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Cl"	34.969402
"28892"	511.221606	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M-2H+K"	36.948606
"469186"	748.358106	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M-2H+K"	36.948606
"847718"	274.085106	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-2H+K"	36.948606
"1570111"	274.085106	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+K-2H"	36.948606
"955807"	282.134694	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-H+HCOOH"	44.998194
"369649"	519.271201	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+HCOOH-H"	44.998201
"349158"	533.286851	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+Hac-H"	59.013851
"1496897"	296.150351	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Hac-H"	59.013851
"963345"	304.116651	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-H+NaCOOH"	66.980151
"113347"	272.105902	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+2Cl"	69.938804
"557281"	390.674152	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+2Cl"	69.938804
"1023892"	153.537652	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2Cl"	69.938804
"1254413"	316.055385	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Br"	78.918885
"1312488"	318.111372	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Cl+HCOOH"	80.974872
"1329984"	340.093329	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Cl+NaCOOH"	102.956829
"923231"	350.122086	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M-H+CF3COOH"	112.985586
"1302131"	386.098764	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Cl+CF3COOH"	148.962264
"1382652"	202.123824	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H-2H2O"	-35.012676
"1397064"	220.1338	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H-H2O"	-17.0027
"297483"	475.280276	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+H"	1.007276
"689903"	712.416776	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+H"	1.007276
"1365886"	238.143776	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H"	1.007276
"140597"	238.143776	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+2H"	2.014552
"579061"	356.712026	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+2H"	2.014552
"1048588"	119.575526	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2H"	2.014552
"216854"	159.098276	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+3H"	3.021828
"655684"	238.143776	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+3H"	3.021828
"1170893"	80.052776	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+3H"	3.021828
"428330"	492.306823	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+NH4"	18.033823
"791880"	729.443323	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+NH4"	18.033823
"1693677"	255.170323	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+NH4"	18.033823
"337580"	246.6570495	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+H+NH4"	19.041099
"733282"	365.2252995	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+H+NH4"	19.041099
"1490019"	128.0887995	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H+NH4"	19.041099
"402508"	497.262218	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+Na"	22.989218
"768010"	734.398718	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+Na"	22.989218
"1615983"	260.125718	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Na"	22.989218
"319457"	249.134747	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+H+Na"	23.996494
"714065"	367.702997	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+H+Na"	23.996494
"1467882"	130.566497	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H+Na"	23.996494
"1060034"	87.38009	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2H+Na"	25.00377
"1259160"	270.169986	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+CH3OH+H"	33.033486
"385756"	513.236158	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+K"	38.963158
"750037"	750.372658	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+K"	38.963158
"1550992"	276.099658	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+K"	38.963158
"304896"	257.121717	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+H+K"	39.970434
"697317"	375.689967	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+H+K"	39.970434
"1452230"	138.553467	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H+K"	39.970434
"246296"	516.306826	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+ACN+H"	42.033826
"1221192"	279.170326	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+ACN+H"	42.033826
"1200699"	140.088801	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+ACN+2H"	43.041102
"192478"	519.24416	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+2Na-H"	44.97116
"640788"	756.38066	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+2Na-H"	44.97116
"1143199"	282.10766	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2Na-H"	44.97116
"183940"	260.125718	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+2Na"	45.978436
"616206"	378.693968	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+2Na"	45.978436
"1118253"	141.557468	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2Na"	45.978436
"1404695"	94.707404	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H+2Na"	46.985712
"1440823"	284.149246	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H+HCOOH"	47.012746
"230516"	265.15874	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+3H2O+2H"	56.04448
"1519681"	298.20129	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+IsoProp+H"	61.06479
"416088"	268.112688	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+Na+K"	61.952376
"780362"	386.680938	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+Na+K"	61.952376
"1669039"	149.544438	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Na+K"	61.952376
"254826"	538.288768	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+ACN+Na"	64.015768
"1226803"	301.152268	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+ACN+Na"	64.015768
"1716785"	301.175793	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+NH4+HCOOH"	64.039293
"1181049"	102.034718	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+3Na"	68.967654
"1652401"	306.131188	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Na+HCOOH"	68.994688
"159622"	551.19204	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+2K-H"	76.91904
"597215"	788.32854	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+2K-H"	76.91904
"1084299"	314.05554	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2K-H"	76.91904
"141727"	276.099658	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"2M+2K"	77.926316
"581568"	394.667908	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"3M+2K"	77.926316
"1074067"	157.531408	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2K"	77.926316
"1100955"	316.070092	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2K+H"	78.933592
"1335997"	316.157707	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+DMSO+H"	79.021207
"1011100"	320.196876	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2ACN+H"	83.060376
"1539647"	321.190508	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+IsoProp+Na+H"	84.054008
"1002239"	160.602076	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+2ACN+2H"	84.067652
"1598927"	322.105128	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+K+HCOOH"	84.968628
"1423494"	352.136638	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+H+CF3COOH"	115.000138
"1150502"	181.115351	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+3ACN+2H"	125.094202
"1711601"	369.163185	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+NH4+CF3COOH"	132.026685
"1648466"	374.11858	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+Na+CF3COOH"	136.98208
"1586667"	390.09252	"C10278"	"O-7-Angelylheliotridine;Rivularine"	"C13H19NO3"	"237.1365"	"M+K+CF3COOH"	152.95602
"805005"	351.1682	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M"	0
"980726"	332.14981	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-H2O-H"	-19.01839
"63499"	233.104857333333	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M-3H"	-3.021828
"503300"	350.160924	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M-3H"	-3.021828
"880980"	116.048790666667	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-3H"	-3.021828
"1134"	350.160924	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M-2H"	-2.014552
"440446"	525.745024	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M-2H"	-2.014552
"817518"	174.576824	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-2H"	-2.014552
"79090"	701.329124	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M-H"	-1.007276
"521455"	1052.497324	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M-H"	-1.007276
"897188"	350.160924	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-H"	-1.007276
"53270"	718.355671	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M-2H+NH4"	16.019271
"492465"	1069.523871	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M-2H+NH4"	16.019271
"873552"	367.187471	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-2H+NH4"	16.019271
"38171"	723.311066	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M-2H+Na"	20.974666
"481013"	1074.479266	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M-2H+Na"	20.974666
"859911"	372.142866	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-2H+Na"	20.974666
"1629446"	372.142866	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Na-2H"	20.974666
"101603"	368.149263	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M-H+Cl"	33.962126
"547724"	543.733363	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M-H+Cl"	33.962126
"942502"	192.565163	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-H+Cl"	33.962126
"280773"	737.305802	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+Cl"	34.969402
"674532"	1088.474002	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+Cl"	34.969402
"1286935"	386.137602	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Cl"	34.969402
"29373"	739.285006	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M-2H+K"	36.948606
"469296"	1090.453206	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M-2H+K"	36.948606
"848071"	388.116806	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-2H+K"	36.948606
"1568034"	388.116806	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+K-2H"	36.948606
"957011"	396.166394	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-H+HCOOH"	44.998194
"366479"	747.334601	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+HCOOH-H"	44.998201
"359964"	761.350251	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+Hac-H"	59.013851
"1503569"	410.182051	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Hac-H"	59.013851
"971841"	418.148351	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-H+NaCOOH"	66.980151
"124031"	386.137602	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+2Cl"	69.938804
"560673"	561.721702	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+2Cl"	69.938804
"1036043"	210.553502	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2Cl"	69.938804
"1255983"	430.087085	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Br"	78.918885
"1314784"	432.143072	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Cl+HCOOH"	80.974872
"1333740"	454.125029	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Cl+NaCOOH"	102.956829
"926869"	464.153786	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M-H+CF3COOH"	112.985586
"1300783"	500.130464	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Cl+CF3COOH"	148.962264
"1381508"	316.155524	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H-2H2O"	-35.012676
"1397909"	334.1655	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H-H2O"	-17.0027
"297961"	703.343676	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+H"	1.007276
"690382"	1054.511876	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+H"	1.007276
"1366245"	352.175476	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H"	1.007276
"140955"	352.175476	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+2H"	2.014552
"580880"	527.759576	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+2H"	2.014552
"1051984"	176.591376	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2H"	2.014552
"219032"	235.119409333333	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+3H"	3.021828
"657619"	352.175476	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+3H"	3.021828
"1174285"	118.063342666667	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+3H"	3.021828
"435370"	720.370223	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+NH4"	18.033823
"798554"	1071.538423	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+NH4"	18.033823
"1693788"	369.202023	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+NH4"	18.033823
"343160"	360.6887495	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+H+NH4"	19.041099
"735948"	536.2728495	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+H+NH4"	19.041099
"1487217"	185.1046495	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H+NH4"	19.041099
"402618"	725.325618	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+Na"	22.989218
"769093"	1076.493818	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+Na"	22.989218
"1616821"	374.157418	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Na"	22.989218
"321755"	363.166447	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+H+Na"	23.996494
"715267"	538.750547	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+H+Na"	23.996494
"1465806"	187.582347	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H+Na"	23.996494
"1060147"	125.390656666667	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2H+Na"	25.00377
"1264010"	384.201686	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+CH3OH+H"	33.033486
"385503"	741.299558	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+K"	38.963158
"751241"	1092.467758	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+K"	38.963158
"1550012"	390.131358	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+K"	38.963158
"306097"	371.153417	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+H+K"	39.970434
"698518"	546.737517	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+H+K"	39.970434
"1450151"	195.569317	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H+K"	39.970434
"245312"	744.370226	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+ACN+H"	42.033826
"1219114"	393.202026	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+ACN+H"	42.033826
"1204092"	197.104651	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+ACN+2H"	43.041102
"195869"	747.30756	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+2Na-H"	44.97116
"637618"	1098.47576	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+2Na-H"	44.97116
"1138936"	396.13936	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2Na-H"	44.97116
"186601"	374.157418	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+2Na"	45.978436
"623973"	549.741518	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+2Na"	45.978436
"1122011"	198.573318	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2Na"	45.978436
"1407723"	132.717970666667	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H+2Na"	46.985712
"1439840"	398.180946	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H+HCOOH"	47.012746
"230630"	379.19044	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+3H2O+2H"	56.04448
"1520886"	412.23299	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+IsoProp+H"	61.06479
"417291"	382.144388	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+Na+K"	61.952376
"783387"	557.728488	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+Na+K"	61.952376
"1669149"	206.560288	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Na+K"	61.952376
"253845"	766.352168	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+ACN+Na"	64.015768
"1229103"	415.183968	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+ACN+Na"	64.015768
"1717266"	415.207493	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+NH4+HCOOH"	64.039293
"1181526"	140.045284666667	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+3Na"	68.967654
"1651418"	420.162888	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Na+HCOOH"	68.994688
"163747"	779.25544	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+2K-H"	76.91904
"597961"	1130.42364	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+2K-H"	76.91904
"1088914"	428.08724	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2K-H"	76.91904
"145729"	390.131358	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"2M+2K"	77.926316
"588572"	565.715458	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"3M+2K"	77.926316
"1074177"	214.547258	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2K"	77.926316
"1103009"	430.101792	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2K+H"	78.933592
"1340493"	430.189407	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+DMSO+H"	79.021207
"1011210"	434.228576	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2ACN+H"	83.060376
"1539308"	435.222208	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+IsoProp+Na+H"	84.054008
"1004048"	217.617926	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+2ACN+2H"	84.067652
"1599036"	436.136828	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+K+HCOOH"	84.968628
"1423604"	466.168338	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+H+CF3COOH"	115.000138
"1150612"	238.131201	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+3ACN+2H"	125.094202
"1708915"	483.194885	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+NH4+CF3COOH"	132.026685
"1647846"	488.15028	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+Na+CF3COOH"	136.98208
"1586777"	504.12422	"C10279"	"Angularine"	"C18H25NO6"	"351.1682"	"M+K+CF3COOH"	152.95602
"813864"	559.3145	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M"	0
"983025"	540.29611	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-H2O-H"	-19.01839
"66894"	371.869057333333	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M-3H"	-3.021828
"505359"	558.307224	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M-3H"	-3.021828
"881821"	185.430890666667	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-3H"	-3.021828
"2462"	558.307224	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M-2H"	-2.014552
"443117"	837.964474	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M-2H"	-2.014552
"818728"	278.649974	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-2H"	-2.014552
"78687"	1117.621724	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M-H"	-1.007276
"524123"	1676.936224	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M-H"	-1.007276
"908487"	558.307224	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-H"	-1.007276
"57393"	1134.648271	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M-2H+NH4"	16.019271
"502181"	1693.962771	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M-2H+NH4"	16.019271
"879463"	575.333771	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-2H+NH4"	16.019271
"41565"	1139.603666	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M-2H+Na"	20.974666
"487103"	1698.918166	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M-2H+Na"	20.974666
"863304"	580.289166	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-2H+Na"	20.974666
"1631743"	580.289166	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Na-2H"	20.974666
"109698"	576.295563	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M-H+Cl"	33.962126
"546743"	855.952813	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M-H+Cl"	33.962126
"942328"	296.638313	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-H+Cl"	33.962126
"282626"	1153.598402	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+Cl"	34.969402
"675629"	1712.912902	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+Cl"	34.969402
"1287168"	594.283902	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Cl"	34.969402
"31172"	1155.577606	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M-2H+K"	36.948606
"471362"	1714.892106	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M-2H+K"	36.948606
"843563"	596.263106	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-2H+K"	36.948606
"1570615"	596.263106	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+K-2H"	36.948606
"957447"	604.312694	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-H+HCOOH"	44.998194
"373150"	1163.627201	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+HCOOH-H"	44.998201
"360327"	1177.642851	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+Hac-H"	59.013851
"1507695"	618.328351	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Hac-H"	59.013851
"971222"	626.294651	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-H+NaCOOH"	66.980151
"125123"	594.283902	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+2Cl"	69.938804
"565536"	873.941152	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+2Cl"	69.938804
"1033960"	314.626652	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2Cl"	69.938804
"1256101"	638.233385	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Br"	78.918885
"1316719"	640.289372	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Cl+HCOOH"	80.974872
"1334589"	662.271329	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Cl+NaCOOH"	102.956829
"925645"	672.300086	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M-H+CF3COOH"	112.985586
"1302716"	708.276764	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Cl+CF3COOH"	148.962264
"1382351"	524.301824	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H-2H2O"	-35.012676
"1398420"	542.3118	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H-H2O"	-17.0027
"298477"	1119.636276	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+H"	1.007276
"690124"	1678.950776	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+H"	1.007276
"1366478"	560.321776	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H"	1.007276
"140098"	560.321776	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+2H"	2.014552
"579654"	839.979026	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+2H"	2.014552
"1051493"	280.664526	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2H"	2.014552
"219472"	373.883609333333	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+3H"	3.021828
"658463"	560.321776	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+3H"	3.021828
"1177680"	187.445442666667	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+3H"	3.021828
"439136"	1136.662823	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+NH4"	18.033823
"797570"	1695.977323	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+NH4"	18.033823
"1693901"	577.348323	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+NH4"	18.033823
"344365"	568.8350495	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+H+NH4"	19.041099
"733507"	848.4922995	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+H+NH4"	19.041099
"1485141"	289.1777995	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H+NH4"	19.041099
"406013"	1141.618218	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+Na"	22.989218
"769736"	1700.932718	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+Na"	22.989218
"1618151"	582.303718	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Na"	22.989218
"329966"	571.312747	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+H+Na"	23.996494
"719754"	850.969997	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+H+Na"	23.996494
"1472481"	291.655497	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H+Na"	23.996494
"1068429"	194.772756666667	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2H+Na"	25.00377
"1272269"	592.347986	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+CH3OH+H"	33.033486
"389997"	1157.592158	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+K"	38.963158
"751354"	1716.906658	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+K"	38.963158
"1552312"	598.277658	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+K"	38.963158
"306207"	579.299717	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+H+K"	39.970434
"703007"	858.956967	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+H+K"	39.970434
"1457917"	299.642467	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H+K"	39.970434
"245423"	1160.662826	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+ACN+H"	42.033826
"1220319"	601.348326	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+ACN+H"	42.033826
"1208578"	301.177801	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+ACN+2H"	43.041102
"204003"	1163.60016	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+2Na-H"	44.97116
"644092"	1722.91466	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+2Na-H"	44.97116
"1146342"	604.28566	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2Na-H"	44.97116
"186713"	582.303718	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+2Na"	45.978436
"626272"	861.960968	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+2Na"	45.978436
"1123217"	302.646468	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2Na"	45.978436
"1410022"	202.100070666667	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H+2Na"	46.985712
"1436672"	606.327246	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H+HCOOH"	47.012746
"231837"	587.33674	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+3H2O+2H"	56.04448
"1522089"	620.37929	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+IsoProp+H"	61.06479
"418495"	590.290688	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+Na+K"	61.952376
"779490"	869.947938	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+Na+K"	61.952376
"1672539"	310.633438	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Na+K"	61.952376
"255780"	1182.644768	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+ACN+Na"	64.015768
"1228853"	623.330268	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+ACN+Na"	64.015768
"1727099"	623.353793	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+NH4+HCOOH"	64.039293
"1187106"	209.427384666667	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+3Na"	68.967654
"1663560"	628.309188	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Na+HCOOH"	68.994688
"172496"	1195.54804	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+2K-H"	76.91904
"611683"	1754.86254	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+2K-H"	76.91904
"1096681"	636.23354	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2K-H"	76.91904
"151310"	598.277658	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"2M+2K"	77.926316
"593057"	877.934908	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"3M+2K"	77.926316
"1075381"	318.620408	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2K"	77.926316
"1106403"	638.248092	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2K+H"	78.933592
"1342790"	638.335707	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+DMSO+H"	79.021207
"1011320"	642.374876	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2ACN+H"	83.060376
"1539381"	643.368508	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+IsoProp+Na+H"	84.054008
"1005423"	321.691076	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+2ACN+2H"	84.067652
"1602307"	644.283128	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+K+HCOOH"	84.968628
"1423714"	674.314638	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+H+CF3COOH"	115.000138
"1150722"	342.204351	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+3ACN+2H"	125.094202
"1711821"	691.341185	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+NH4+CF3COOH"	132.026685
"1647593"	696.29658	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+Na+CF3COOH"	136.98208
"1586887"	712.27052	"C10280"	"Auriculine"	"C31H45NO8"	"559.3145"	"M+K+CF3COOH"	152.95602
"813972"	282.162	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M"	0
"984224"	263.14361	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-H2O-H"	-19.01839
"67001"	187.100724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M-3H"	-3.021828
"502893"	281.154724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M-3H"	-3.021828
"879932"	93.046724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-3H"	-3.021828
"110"	281.154724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M-2H"	-2.014552
"439990"	422.235724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M-2H"	-2.014552
"817100"	140.073724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-2H"	-2.014552
"78576"	563.316724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M-H"	-1.007276
"523135"	845.478724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M-H"	-1.007276
"903128"	281.154724	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-H"	-1.007276
"50940"	580.343271	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M-2H+NH4"	16.019271
"501805"	862.505271	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M-2H+NH4"	16.019271
"878514"	298.181271	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-2H+NH4"	16.019271
"38395"	585.298666	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M-2H+Na"	20.974666
"487013"	867.460666	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M-2H+Na"	20.974666
"863946"	303.136666	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-2H+Na"	20.974666
"1630760"	303.136666	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Na-2H"	20.974666
"109117"	299.143063	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M-H+Cl"	33.962126
"549931"	440.224063	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M-H+Cl"	33.962126
"942522"	158.062063	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-H+Cl"	33.962126
"282740"	599.293402	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+Cl"	34.969402
"675484"	881.455402	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+Cl"	34.969402
"1288453"	317.131402	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Cl"	34.969402
"30449"	601.272606	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M-2H+K"	36.948606
"471065"	883.434606	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M-2H+K"	36.948606
"847320"	319.110606	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-2H+K"	36.948606
"1571099"	319.110606	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+K-2H"	36.948606
"957883"	327.160194	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-H+HCOOH"	44.998194
"371439"	609.322201	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+HCOOH-H"	44.998201
"361004"	623.337851	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+Hac-H"	59.013851
"1508135"	341.175851	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Hac-H"	59.013851
"969875"	349.142151	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-H+NaCOOH"	66.980151
"123155"	317.131402	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+2Cl"	69.938804
"558705"	458.212402	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+2Cl"	69.938804
"1036870"	176.050402	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2Cl"	69.938804
"1256535"	361.080885	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Br"	78.918885
"1316829"	363.136872	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Cl+HCOOH"	80.974872
"1334332"	385.118829	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Cl+NaCOOH"	102.956829
"926115"	395.147586	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M-H+CF3COOH"	112.985586
"1299910"	431.124264	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Cl+CF3COOH"	148.962264
"1381366"	247.149324	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H-2H2O"	-35.012676
"1397767"	265.1593	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H-H2O"	-17.0027
"297453"	565.331276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+H"	1.007276
"690925"	847.493276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+H"	1.007276
"1366223"	283.169276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H"	1.007276
"140572"	283.169276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+2H"	2.014552
"580494"	424.250276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+2H"	2.014552
"1051480"	142.088276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2H"	2.014552
"218281"	189.115276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+3H"	3.021828
"657476"	283.169276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+3H"	3.021828
"1175603"	95.061276	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+3H"	3.021828
"438876"	582.357823	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+NH4"	18.033823
"797316"	864.519823	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+NH4"	18.033823
"1692554"	300.195823	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+NH4"	18.033823
"343383"	291.6825495	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+H+NH4"	19.041099
"731430"	432.7635495	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+H+NH4"	19.041099
"1485251"	150.6015495	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H+NH4"	19.041099
"405030"	587.313218	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+Na"	22.989218
"769828"	869.475218	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+Na"	22.989218
"1617895"	305.151218	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Na"	22.989218
"329024"	294.160247	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+H+Na"	23.996494
"719864"	435.241247	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+H+Na"	23.996494
"1472591"	153.079247	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H+Na"	23.996494
"1065839"	102.38859	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2H+Na"	25.00377
"1270798"	315.195486	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+CH3OH+H"	33.033486
"391200"	603.287158	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+K"	38.963158
"751464"	885.449158	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+K"	38.963158
"1549142"	321.125158	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+K"	38.963158
"308504"	302.147217	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+H+K"	39.970434
"700929"	443.228217	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+H+K"	39.970434
"1454747"	161.066217	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H+K"	39.970434
"246627"	606.357826	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+ACN+H"	42.033826
"1219336"	324.195826	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+ACN+H"	42.033826
"1204314"	162.601551	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+ACN+2H"	43.041102
"201561"	609.29516	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+2Na-H"	44.97116
"641122"	891.45716	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+2Na-H"	44.97116
"1144628"	327.13316	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2Na-H"	44.97116
"187432"	305.151218	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+2Na"	45.978436
"626381"	446.232218	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+2Na"	45.978436
"1126607"	164.070218	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2Na"	45.978436
"1407947"	109.715904	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H+2Na"	46.985712
"1434596"	329.174746	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H+HCOOH"	47.012746
"230854"	310.18424	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+3H2O+2H"	56.04448
"1521105"	343.22679	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+IsoProp+H"	61.06479
"416419"	313.138188	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+Na+K"	61.952376
"778507"	454.219188	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+Na+K"	61.952376
"1672649"	172.057188	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Na+K"	61.952376
"258077"	628.339768	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+ACN+Na"	64.015768
"1230786"	346.177768	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+ACN+Na"	64.015768
"1727330"	346.201293	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+NH4+HCOOH"	64.039293
"1188309"	117.043218	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+3Na"	68.967654
"1662577"	351.156688	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Na+HCOOH"	68.994688
"172806"	641.24304	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+2K-H"	76.91904
"611793"	923.40504	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+2K-H"	76.91904
"1096791"	359.08104	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2K-H"	76.91904
"151420"	321.125158	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"2M+2K"	77.926316
"593167"	462.206158	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"3M+2K"	77.926316
"1074398"	180.044158	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2K"	77.926316
"1106513"	361.095592	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2K+H"	78.933592
"1343993"	361.183207	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+DMSO+H"	79.021207
"1011430"	365.222376	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2ACN+H"	83.060376
"1539648"	366.216008	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+IsoProp+Na+H"	84.054008
"1005522"	183.114826	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+2ACN+2H"	84.067652
"1602377"	367.130628	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+K+HCOOH"	84.968628
"1423824"	397.162138	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+H+CF3COOH"	115.000138
"1154112"	203.628101	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+3ACN+2H"	125.094202
"1710959"	414.188685	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+NH4+CF3COOH"	132.026685
"1648067"	419.14408	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+Na+CF3COOH"	136.98208
"1586997"	435.11802	"C10281"	"4-Prenyldihydropinosylvin"	"C19H22O2"	"282.162"	"M+K+CF3COOH"	152.95602
"814082"	405.1788	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M"	0
"983241"	386.16041	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-H2O-H"	-19.01839
"68204"	269.111924	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M-3H"	-3.021828
"508860"	404.171524	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M-3H"	-3.021828
"883381"	134.052324	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-3H"	-3.021828
"1954"	404.171524	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M-2H"	-2.014552
"442604"	606.760924	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M-2H"	-2.014552
"817516"	201.582124	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-2H"	-2.014552
"78969"	809.350324	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M-H"	-1.007276
"528718"	1214.529124	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M-H"	-1.007276
"903238"	404.171524	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-H"	-1.007276
"52508"	826.376871	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M-2H+NH4"	16.019271
"493162"	1231.555671	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M-2H+NH4"	16.019271
"868779"	421.198071	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-2H+NH4"	16.019271
"33271"	831.332266	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M-2H+Na"	20.974666
"486333"	1236.511066	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M-2H+Na"	20.974666
"860241"	426.153466	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-2H+Na"	20.974666
"1629409"	426.153466	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Na-2H"	20.974666
"107401"	422.159863	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M-H+Cl"	33.962126
"549031"	624.749263	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M-H+Cl"	33.962126
"939381"	219.570463	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-H+Cl"	33.962126
"274657"	845.327002	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+Cl"	34.969402
"674007"	1250.505802	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+Cl"	34.969402
"1287137"	440.148202	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Cl"	34.969402
"30678"	847.306206	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M-2H+K"	36.948606
"470725"	1252.485006	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M-2H+K"	36.948606
"848367"	442.127406	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-2H+K"	36.948606
"1571028"	442.127406	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+K-2H"	36.948606
"956980"	450.176994	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-H+HCOOH"	44.998194
"371183"	855.355801	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+HCOOH-H"	44.998201
"359443"	869.371451	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+Hac-H"	59.013851
"1502806"	464.192651	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Hac-H"	59.013851
"961962"	472.158951	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-H+NaCOOH"	66.980151
"112693"	440.148202	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+2Cl"	69.938804
"556628"	642.737602	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+2Cl"	69.938804
"1024333"	237.558802	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2Cl"	69.938804
"1256316"	484.097685	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Br"	78.918885
"1319661"	486.153672	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Cl+HCOOH"	80.974872
"1331154"	508.135629	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Cl+NaCOOH"	102.956829
"925496"	518.164386	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M-H+CF3COOH"	112.985586
"1303664"	554.141064	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Cl+CF3COOH"	148.962264
"1380371"	370.166124	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H-2H2O"	-35.012676
"1396774"	388.1761	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H-H2O"	-17.0027
"298402"	811.364876	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+H"	1.007276
"691356"	1216.543676	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+H"	1.007276
"1366696"	406.186076	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H"	1.007276
"139213"	406.186076	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+2H"	2.014552
"579502"	608.775476	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+2H"	2.014552
"1048665"	203.596676	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2H"	2.014552
"214742"	271.126476	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+3H"	3.021828
"652115"	406.186076	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+3H"	3.021828
"1171334"	136.066876	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+3H"	3.021828
"432419"	828.391423	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+NH4"	18.033823
"790134"	1233.570223	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+NH4"	18.033823
"1688650"	423.212623	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+NH4"	18.033823
"338022"	414.6993495	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+H+NH4"	19.041099
"732630"	617.2887495	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+H+NH4"	19.041099
"1483169"	212.1099495	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H+NH4"	19.041099
"400765"	833.346818	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+Na"	22.989218
"762857"	1238.525618	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+Na"	22.989218
"1607674"	428.168018	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Na"	22.989218
"317709"	417.177047	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+H+Na"	23.996494
"707412"	619.766447	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+H+Na"	23.996494
"1464678"	214.587647	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H+Na"	23.996494
"1054642"	143.39419	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2H+Na"	25.00377
"1262155"	438.212286	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+CH3OH+H"	33.033486
"382917"	849.320758	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+K"	38.963158
"743914"	1254.499558	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+K"	38.963158
"1548154"	444.141958	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+K"	38.963158
"303140"	425.164017	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+H+K"	39.970434
"702130"	627.753417	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+H+K"	39.970434
"1450481"	222.574617	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H+K"	39.970434
"241271"	852.391426	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+ACN+H"	42.033826
"1218351"	447.212626	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+ACN+H"	42.033826
"1201139"	224.109951	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+ACN+2H"	43.041102
"194011"	855.32876	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+2Na-H"	44.97116
"629312"	1260.50756	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+2Na-H"	44.97116
"1140359"	450.14996	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2Na-H"	44.97116
"178182"	428.168018	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+2Na"	45.978436
"615918"	630.757418	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+2Na"	45.978436
"1117600"	225.578618	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2Na"	45.978436
"1400391"	150.721504	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H+2Na"	46.985712
"1437981"	452.191546	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H+HCOOH"	47.012746
"223666"	433.20104	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+3H2O+2H"	56.04448
"1514647"	466.24359	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+IsoProp+H"	61.06479
"414336"	436.154988	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+Na+K"	61.952376
"779707"	638.744388	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+Na+K"	61.952376
"1672757"	233.565588	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Na+K"	61.952376
"257094"	874.373368	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+ACN+Na"	64.015768
"1229801"	469.194568	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+ACN+Na"	64.015768
"1715766"	469.218093	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+NH4+HCOOH"	64.039293
"1181855"	158.048818	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+3Na"	68.967654
"1652111"	474.173488	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Na+HCOOH"	68.994688
"157219"	887.27664	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+2K-H"	76.91904
"600357"	1292.45544	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+2K-H"	76.91904
"1084451"	482.09784	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2K-H"	76.91904
"142411"	444.141958	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"2M+2K"	77.926316
"581417"	646.731358	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"3M+2K"	77.926316
"1075600"	241.552558	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2K"	77.926316
"1103341"	484.112392	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2K+H"	78.933592
"1335832"	484.200007	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+DMSO+H"	79.021207
"1005985"	488.239176	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2ACN+H"	83.060376
"1529663"	489.232808	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+IsoProp+Na+H"	84.054008
"1000488"	244.623226	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+2ACN+2H"	84.067652
"1591711"	490.147428	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+K+HCOOH"	84.968628
"1418463"	520.178938	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+H+CF3COOH"	115.000138
"1152035"	265.136501	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+3ACN+2H"	125.094202
"1701585"	537.205485	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+NH4+CF3COOH"	132.026685
"1645987"	542.16088	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+Na+CF3COOH"	136.98208
"1577263"	558.13482	"C10282"	"Clivoline"	"C21H27NO7"	"405.1788"	"M+K+CF3COOH"	152.95602
"810912"	312.1362	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M"	0
"977883"	293.11781	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-H2O-H"	-19.01839
"64543"	207.083524	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M-3H"	-3.021828
"508970"	311.128924	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M-3H"	-3.021828
"885678"	103.038124	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-3H"	-3.021828
"1093"	311.128924	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M-2H"	-2.014552
"442351"	467.197024	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M-2H"	-2.014552
"817834"	155.060824	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-2H"	-2.014552
"78964"	623.265124	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M-H"	-1.007276
"522266"	935.401324	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M-H"	-1.007276
"902255"	311.128924	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-H"	-1.007276
"51889"	640.291671	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M-2H+NH4"	16.019271
"490355"	952.427871	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M-2H+NH4"	16.019271
"869253"	328.155471	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-2H+NH4"	16.019271
"32410"	645.247066	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M-2H+Na"	20.974666
"472698"	957.383266	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M-2H+Na"	20.974666
"849897"	333.110866	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-2H+Na"	20.974666
"1626603"	333.110866	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Na-2H"	20.974666
"108971"	329.117263	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M-H+Cl"	33.962126
"549506"	485.185363	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M-H+Cl"	33.962126
"940465"	173.049163	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-H+Cl"	33.962126
"274767"	659.241802	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+Cl"	34.969402
"673874"	971.378002	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+Cl"	34.969402
"1283967"	347.105602	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Cl"	34.969402
"29816"	661.221006	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M-2H+K"	36.948606
"469741"	973.357206	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M-2H+K"	36.948606
"847547"	349.084806	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-2H+K"	36.948606
"1571194"	349.084806	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+K-2H"	36.948606
"957821"	357.134394	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-H+HCOOH"	44.998194
"371293"	669.270601	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+HCOOH-H"	44.998201
"359918"	683.286251	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+Hac-H"	59.013851
"1502188"	371.150051	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Hac-H"	59.013851
"962801"	379.116351	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-H+NaCOOH"	66.980151
"111710"	347.105602	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+2Cl"	69.938804
"554550"	503.173702	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+2Cl"	69.938804
"1022620"	191.037502	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2Cl"	69.938804
"1256427"	391.055085	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Br"	78.918885
"1319482"	393.111072	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Cl+HCOOH"	80.974872
"1333452"	415.093029	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Cl+NaCOOH"	102.956829
"925606"	425.121786	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M-H+CF3COOH"	112.985586
"1301224"	461.098464	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Cl+CF3COOH"	148.962264
"1382064"	277.123524	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H-2H2O"	-35.012676
"1396884"	295.1335	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H-H2O"	-17.0027
"298472"	625.279676	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+H"	1.007276
"688263"	937.415876	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+H"	1.007276
"1366849"	313.143476	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H"	1.007276
"137501"	313.143476	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+2H"	2.014552
"578154"	469.211576	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+2H"	2.014552
"1049503"	157.075376	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2H"	2.014552
"213759"	209.098076	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+3H"	3.021828
"649309"	313.143476	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+3H"	3.021828
"1172538"	105.052676	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+3H"	3.021828
"432529"	642.306223	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+NH4"	18.033823
"790244"	954.442423	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+NH4"	18.033823
"1688760"	330.170023	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+NH4"	18.033823
"337039"	321.6567495	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+H+NH4"	19.041099
"728366"	477.7248495	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+H+NH4"	19.041099
"1483280"	165.5886495	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H+NH4"	19.041099
"398688"	647.261618	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+Na"	22.989218
"767341"	959.397818	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+Na"	22.989218
"1612158"	335.125418	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Na"	22.989218
"321099"	324.134447	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+H+Na"	23.996494
"707442"	480.202547	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+H+Na"	23.996494
"1461354"	168.066347	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H+Na"	23.996494
"1053075"	112.37999	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2H+Na"	25.00377
"1257888"	345.169686	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+CH3OH+H"	33.033486
"381934"	663.235558	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+K"	38.963158
"744024"	975.371758	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+K"	38.963158
"1544984"	351.099358	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+K"	38.963158
"302520"	332.121417	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+H+K"	39.970434
"702241"	488.189517	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+H+K"	39.970434
"1449131"	176.053317	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H+K"	39.970434
"241380"	666.306226	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+ACN+H"	42.033826
"1216274"	354.170026	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+ACN+H"	42.033826
"1199790"	177.588651	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+ACN+2H"	43.041102
"193392"	669.24356	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+2Na-H"	44.97116
"629545"	981.37976	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+2Na-H"	44.97116
"1139376"	357.10736	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2Na-H"	44.97116
"179385"	335.125418	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+2Na"	45.978436
"616393"	491.193518	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+2Na"	45.978436
"1119533"	179.057318	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2Na"	45.978436
"1401230"	119.707304	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H+2Na"	46.985712
"1438091"	359.148946	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H+HCOOH"	47.012746
"223412"	340.15844	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+3H2O+2H"	56.04448
"1514755"	373.20099	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+IsoProp+H"	61.06479
"412259"	343.112388	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+Na+K"	61.952376
"777631"	499.180488	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+Na+K"	61.952376
"1666015"	187.044288	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Na+K"	61.952376
"251855"	688.288168	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+ACN+Na"	64.015768
"1228452"	376.151968	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+ACN+Na"	64.015768
"1713077"	376.175493	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+NH4+HCOOH"	64.039293
"1180142"	127.034618	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+3Na"	68.967654
"1651857"	381.130888	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Na+HCOOH"	68.994688
"157327"	701.19144	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+2K-H"	76.91904
"599374"	1013.32764	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+2K-H"	76.91904
"1084933"	389.05524	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2K-H"	76.91904
"142521"	351.099358	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"2M+2K"	77.926316
"581498"	507.167458	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"3M+2K"	77.926316
"1072430"	195.031258	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2K"	77.926316
"1104544"	391.069792	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2K+H"	78.933592
"1336063"	391.157407	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+DMSO+H"	79.021207
"1006172"	395.196576	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2ACN+H"	83.060376
"1529773"	396.190208	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+IsoProp+Na+H"	84.054008
"1000598"	198.101926	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+2ACN+2H"	84.067652
"1591821"	397.104828	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+K+HCOOH"	84.968628
"1422948"	427.136338	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+H+CF3COOH"	115.000138
"1157613"	218.615201	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+3ACN+2H"	125.094202
"1700602"	444.162885	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+NH4+CF3COOH"	132.026685
"1646096"	449.11828	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+Na+CF3COOH"	136.98208
"1580654"	465.09222	"C10283"	"4-Prenyloxyresveratrol"	"C19H20O4"	"312.1362"	"M+K+CF3COOH"	152.95602
"811022"	171.0895	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M"	0
"980179"	152.07111	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-H2O-H"	-19.01839
"65139"	113.052390666667	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M-3H"	-3.021828
"505064"	170.082224	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M-3H"	-3.021828
"881040"	56.0225573333333	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-3H"	-3.021828
"2174"	170.082224	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M-2H"	-2.014552
"442098"	255.626974	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M-2H"	-2.014552
"817463"	84.537474	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-2H"	-2.014552
"79639"	341.171724	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M-H"	-1.007276
"524562"	512.261224	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M-H"	-1.007276
"905644"	170.082224	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-H"	-1.007276
"52363"	358.198271	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M-2H+NH4"	16.019271
"492651"	529.287771	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M-2H+NH4"	16.019271
"870092"	187.108771	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-2H+NH4"	16.019271
"34343"	363.153666	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M-2H+Na"	20.974666
"473536"	534.243166	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M-2H+Na"	20.974666
"852073"	192.064166	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-2H+Na"	20.974666
"1626713"	192.064166	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Na-2H"	20.974666
"107623"	188.070563	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M-H+Cl"	33.962126
"548276"	273.615313	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M-H+Cl"	33.962126
"937416"	102.525813	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-H+Cl"	33.962126
"275971"	377.148402	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+Cl"	34.969402
"674591"	548.237902	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+Cl"	34.969402
"1282983"	206.058902	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Cl"	34.969402
"29682"	379.127606	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M-2H+K"	36.948606
"469489"	550.217106	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M-2H+K"	36.948606
"846803"	208.038106	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-2H+K"	36.948606
"1565304"	208.038106	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+K-2H"	36.948606
"956472"	216.087694	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-H+HCOOH"	44.998194
"371403"	387.177201	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+HCOOH-H"	44.998201
"359300"	401.192851	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+Hac-H"	59.013851
"1506309"	230.103351	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Hac-H"	59.013851
"964006"	238.069651	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-H+NaCOOH"	66.980151
"116194"	206.058902	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+2Cl"	69.938804
"556848"	291.603652	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+2Cl"	69.938804
"1023822"	120.514152	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2Cl"	69.938804
"1256864"	250.008385	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Br"	78.918885
"1318989"	252.064372	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Cl+HCOOH"	80.974872
"1329552"	274.046329	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Cl+NaCOOH"	102.956829
"923892"	284.075086	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M-H+CF3COOH"	112.985586
"1301942"	320.051764	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Cl+CF3COOH"	148.962264
"1382294"	136.076824	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H-2H2O"	-35.012676
"1396994"	154.0868	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H-H2O"	-17.0027
"298298"	343.186276	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+H"	1.007276
"689466"	514.275776	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+H"	1.007276
"1365816"	172.096776	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H"	1.007276
"139798"	172.096776	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+2H"	2.014552
"577171"	257.641526	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+2H"	2.014552
"1048157"	86.552026	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2H"	2.014552
"216423"	115.066942666667	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+3H"	3.021828
"654523"	172.096776	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+3H"	3.021828
"1172648"	58.0371093333333	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+3H"	3.021828
"433732"	360.212823	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+NH4"	18.033823
"792541"	531.302323	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+NH4"	18.033823
"1688870"	189.123323	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+NH4"	18.033823
"338242"	180.6100495	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+H+NH4"	19.041099
"728476"	266.1547995	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+H+NH4"	19.041099
"1482296"	95.0652995	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H+NH4"	19.041099
"402079"	365.168218	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+Na"	22.989218
"766359"	536.257718	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+Na"	22.989218
"1610082"	194.078718	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Na"	22.989218
"321211"	183.087747	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+H+Na"	23.996494
"707673"	268.632497	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+H+Na"	23.996494
"1461891"	97.542997	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H+Na"	23.996494
"1052991"	65.3644233333333	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2H+Na"	25.00377
"1258360"	204.122986	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+CH3OH+H"	33.033486
"384230"	381.142158	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+K"	38.963158
"745227"	552.231658	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+K"	38.963158
"1543634"	210.052658	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+K"	38.963158
"304088"	191.074717	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+H+K"	39.970434
"704538"	276.619467	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+H+K"	39.970434
"1449970"	105.529967	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H+K"	39.970434
"241490"	384.212826	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+ACN+H"	42.033826
"1216018"	213.123326	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+ACN+H"	42.033826
"1199171"	107.065301	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+ACN+2H"	43.041102
"195324"	387.15016	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+2Na-H"	44.97116
"629654"	558.23966	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+2Na-H"	44.97116
"1139486"	216.06066	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2Na-H"	44.97116
"178764"	194.078718	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+2Na"	45.978436
"619055"	279.623468	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+2Na"	45.978436
"1118913"	108.533968	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2Na"	45.978436
"1401341"	72.6917373333333	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H+2Na"	46.985712
"1436014"	218.102246	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H+HCOOH"	47.012746
"224615"	199.11174	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+3H2O+2H"	56.04448
"1515958"	232.15429	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+IsoProp+H"	61.06479
"414919"	202.065688	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+Na+K"	61.952376
"776647"	287.610438	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+Na+K"	61.952376
"1667139"	116.520938	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Na+K"	61.952376
"252937"	406.194768	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+ACN+Na"	64.015768
"1227466"	235.105268	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+ACN+Na"	64.015768
"1714524"	235.128793	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+NH4+HCOOH"	64.039293
"1181709"	80.0190513333333	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+3Na"	68.967654
"1651966"	240.084188	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Na+HCOOH"	68.994688
"158209"	419.09804	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+2K-H"	76.91904
"600577"	590.18754	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+2K-H"	76.91904
"1084840"	248.00854	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2K-H"	76.91904
"143117"	210.052658	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"2M+2K"	77.926316
"581815"	295.597408	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"3M+2K"	77.926316
"1074726"	124.507908	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2K"	77.926316
"1101491"	250.023092	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2K+H"	78.933592
"1336054"	250.110707	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+DMSO+H"	79.021207
"1006281"	254.149876	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2ACN+H"	83.060376
"1529883"	255.143508	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+IsoProp+Na+H"	84.054008
"1000708"	127.578576	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+2ACN+2H"	84.067652
"1593024"	256.058128	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+K+HCOOH"	84.968628
"1424151"	286.089638	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+H+CF3COOH"	115.000138
"1157723"	148.091851	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+3ACN+2H"	125.094202
"1700712"	303.116185	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+NH4+CF3COOH"	132.026685
"1646206"	308.07158	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+Na+CF3COOH"	136.98208
"1580764"	324.04552	"C10284"	"Crotanecine"	"C8H13NO3"	"171.0895"	"M+K+CF3COOH"	152.95602
"813320"	296.1412	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M"	0
"983571"	277.12281	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-H2O-H"	-19.01839
"65251"	196.420190666667	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M-3H"	-3.021828
"505904"	295.133924	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M-3H"	-3.021828
"880789"	97.7064573333333	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-3H"	-3.021828
"1192"	295.133924	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M-2H"	-2.014552
"440626"	443.204524	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M-2H"	-2.014552
"817452"	147.063324	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-2H"	-2.014552
"79385"	591.275124	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M-H"	-1.007276
"532327"	887.416324	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M-H"	-1.007276
"905754"	295.133924	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-H"	-1.007276
"52474"	608.301671	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M-2H+NH4"	16.019271
"495315"	904.442871	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M-2H+NH4"	16.019271
"873117"	312.160471	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-2H+NH4"	16.019271
"37008"	613.257066	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M-2H+Na"	20.974666
"474379"	909.398266	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M-2H+Na"	20.974666
"850360"	317.115866	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-2H+Na"	20.974666
"1627916"	317.115866	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Na-2H"	20.974666
"109394"	313.122263	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M-H+Cl"	33.962126
"549035"	461.192863	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M-H+Cl"	33.962126
"942229"	165.051663	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-H+Cl"	33.962126
"279361"	627.251802	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+Cl"	34.969402
"674943"	923.393002	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+Cl"	34.969402
"1283093"	331.110602	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Cl"	34.969402
"30640"	629.231006	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M-2H+K"	36.948606
"469960"	925.372206	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M-2H+K"	36.948606
"846299"	333.089806	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-2H+K"	36.948606
"1563227"	333.089806	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+K-2H"	36.948606
"958037"	341.139394	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-H+HCOOH"	44.998194
"374793"	637.280601	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+HCOOH-H"	44.998201
"352115"	651.296251	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+Hac-H"	59.013851
"1506057"	355.155051	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Hac-H"	59.013851
"968490"	363.121351	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-H+NaCOOH"	66.980151
"125052"	331.110602	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+2Cl"	69.938804
"558052"	479.181202	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+2Cl"	69.938804
"1034513"	183.040002	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2Cl"	69.938804
"1255918"	375.060085	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Br"	78.918885
"1319380"	377.116072	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Cl+HCOOH"	80.974872
"1331123"	399.098029	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Cl+NaCOOH"	102.956829
"921448"	409.126786	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M-H+CF3COOH"	112.985586
"1299617"	445.103464	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Cl+CF3COOH"	148.962264
"1382654"	261.128524	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H-2H2O"	-35.012676
"1397954"	279.1385	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H-H2O"	-17.0027
"298222"	593.289676	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+H"	1.007276
"691339"	889.430876	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+H"	1.007276
"1366729"	297.148476	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H"	1.007276
"137721"	297.148476	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+2H"	2.014552
"580562"	445.219076	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+2H"	2.014552
"1048267"	149.077876	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2H"	2.014552
"216898"	198.434742666667	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+3H"	3.021828
"655726"	297.148476	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+3H"	3.021828
"1174944"	99.7210093333334	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+3H"	3.021828
"432749"	610.316223	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+NH4"	18.033823
"792651"	906.457423	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+NH4"	18.033823
"1688980"	314.175023	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+NH4"	18.033823
"338352"	305.6617495	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+H+NH4"	19.041099
"731866"	453.7323495	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+H+NH4"	19.041099
"1484593"	157.5911495	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H+NH4"	19.041099
"402189"	615.271618	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+Na"	22.989218
"767562"	911.412818	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+Na"	22.989218
"1613472"	319.130418	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Na"	22.989218
"322415"	308.139447	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+H+Na"	23.996494
"707663"	456.210047	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+H+Na"	23.996494
"1462693"	160.068847	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H+Na"	23.996494
"1053630"	107.048323333333	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2H+Na"	25.00377
"1259564"	329.174686	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+CH3OH+H"	33.033486
"383247"	631.245558	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+K"	38.963158
"742058"	927.386758	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+K"	38.963158
"1543742"	335.104358	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+K"	38.963158
"303834"	316.126417	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+H+K"	39.970434
"702460"	464.197017	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+H+K"	39.970434
"1449351"	168.055817	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H+K"	39.970434
"241600"	634.316226	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+ACN+H"	42.033826
"1215035"	338.175026	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+ACN+H"	42.033826
"1198917"	169.591151	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+ACN+2H"	43.041102
"193976"	637.25356	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+2Na-H"	44.97116
"630254"	933.39476	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+2Na-H"	44.97116
"1139596"	341.11236	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2Na-H"	44.97116
"178146"	319.130418	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+2Na"	45.978436
"621353"	467.201018	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+2Na"	45.978436
"1119026"	171.059818	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2Na"	45.978436
"1405101"	114.375637333333	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H+2Na"	46.985712
"1436124"	343.153946	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H+HCOOH"	47.012746
"224725"	324.16344	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+3H2O+2H"	56.04448
"1513881"	357.20599	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+IsoProp+H"	61.06479
"412113"	327.117388	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+Na+K"	61.952376
"776754"	475.187988	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+Na+K"	61.952376
"1670534"	179.046788	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Na+K"	61.952376
"252317"	656.298168	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+ACN+Na"	64.015768
"1226118"	360.156968	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+ACN+Na"	64.015768
"1714637"	360.180493	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+NH4+HCOOH"	64.039293
"1180116"	121.702951333333	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+3Na"	68.967654
"1652441"	365.135888	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Na+HCOOH"	68.994688
"157597"	669.20144	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+2K-H"	76.91904
"602874"	965.34264	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+2K-H"	76.91904
"1086292"	373.06024	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2K-H"	76.91904
"142497"	335.104358	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"2M+2K"	77.926316
"581413"	483.174958	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"3M+2K"	77.926316
"1075929"	187.033758	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2K"	77.926316
"1104764"	375.074792	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2K+H"	78.933592
"1335920"	375.162407	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+DMSO+H"	79.021207
"1009679"	379.201576	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2ACN+H"	83.060376
"1532179"	380.195208	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+IsoProp+Na+H"	84.054008
"998632"	190.104426	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+2ACN+2H"	84.067652
"1590946"	381.109828	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+K+HCOOH"	84.968628
"1424261"	411.141338	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+H+CF3COOH"	115.000138
"1153458"	210.617701	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+3ACN+2H"	125.094202
"1699728"	428.167885	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+NH4+CF3COOH"	132.026685
"1643036"	433.12328	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+Na+CF3COOH"	136.98208
"1580874"	449.09722	"C10285"	"4-Prenylresveratrol"	"C19H20O3"	"296.1412"	"M+K+CF3COOH"	152.95602
"814522"	459.166	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M"	0
"983681"	440.14761	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-H2O-H"	-19.01839
"63022"	305.103390666667	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M-3H"	-3.021828
"506014"	458.158724	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M-3H"	-3.021828
"883815"	152.048057333333	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-3H"	-3.021828
"88"	458.158724	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M-2H"	-2.014552
"440407"	687.741724	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M-2H"	-2.014552
"817558"	228.575724	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-2H"	-2.014552
"79373"	917.324724	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M-H"	-1.007276
"524782"	1376.490724	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M-H"	-1.007276
"904771"	458.158724	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-H"	-1.007276
"51491"	934.351271	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M-2H+NH4"	16.019271
"490684"	1393.517271	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M-2H+NH4"	16.019271
"873227"	475.185271	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-2H+NH4"	16.019271
"35296"	939.306666	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M-2H+Na"	20.974666
"474489"	1398.472666	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M-2H+Na"	20.974666
"850469"	480.140666	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-2H+Na"	20.974666
"1623653"	480.140666	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Na-2H"	20.974666
"104561"	476.147063	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M-H+Cl"	33.962126
"548496"	705.730063	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M-H+Cl"	33.962126
"942011"	246.564063	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-H+Cl"	33.962126
"277285"	953.301402	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+Cl"	34.969402
"673717"	1412.467402	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+Cl"	34.969402
"1282110"	494.135402	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Cl"	34.969402
"29413"	955.280606	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M-2H+K"	36.948606
"470677"	1414.446606	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M-2H+K"	36.948606
"845316"	496.114606	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-2H+K"	36.948606
"1563337"	496.114606	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+K-2H"	36.948606
"951220"	504.164194	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-H+HCOOH"	44.998194
"376361"	963.330201	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+HCOOH-H"	44.998201
"352225"	977.345851	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+Hac-H"	59.013851
"1506895"	518.179851	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Hac-H"	59.013851
"967507"	526.146151	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-H+NaCOOH"	66.980151
"125527"	494.135402	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+2Cl"	69.938804
"558162"	723.718402	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+2Cl"	69.938804
"1034623"	264.552402	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2Cl"	69.938804
"1256392"	538.084885	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Br"	78.918885
"1318111"	540.140872	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Cl+HCOOH"	80.974872
"1329773"	562.122829	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Cl+NaCOOH"	102.956829
"918642"	572.151586	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M-H+CF3COOH"	112.985586
"1299727"	608.128264	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Cl+CF3COOH"	148.962264
"1382478"	424.153324	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H-2H2O"	-35.012676
"1397092"	442.1633	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H-H2O"	-17.0027
"298430"	919.339276	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+H"	1.007276
"691150"	1378.505276	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+H"	1.007276
"1366716"	460.173276	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H"	1.007276
"137831"	460.173276	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+2H"	2.014552
"579943"	689.756276	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+2H"	2.014552
"1049106"	230.590276	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2H"	2.014552
"211901"	307.117942666667	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+3H"	3.021828
"655836"	460.173276	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+3H"	3.021828
"1171774"	154.062609333333	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+3H"	3.021828
"427392"	936.365823	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+NH4"	18.033823
"789480"	1395.531823	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+NH4"	18.033823
"1689090"	477.199823	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+NH4"	18.033823
"338462"	468.6865495	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+H+NH4"	19.041099
"730882"	698.2695495	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+H+NH4"	19.041099
"1479599"	239.1035495	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H+NH4"	19.041099
"405579"	941.321218	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+Na"	22.989218
"767672"	1400.487218	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+Na"	22.989218
"1610302"	482.155218	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Na"	22.989218
"323617"	471.164247	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+H+Na"	23.996494
"707651"	700.747247	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+H+Na"	23.996494
"1463535"	241.581247	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H+Na"	23.996494
"1052777"	161.389923333333	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2H+Na"	25.00377
"1258578"	492.199486	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+CH3OH+H"	33.033486
"378982"	957.295158	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+K"	38.963158
"739368"	1416.461158	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+K"	38.963158
"1541301"	498.129158	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+K"	38.963158
"303580"	479.151217	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+H+K"	39.970434
"700383"	708.734217	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+H+K"	39.970434
"1448005"	249.568217	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H+K"	39.970434
"241710"	960.365826	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+ACN+H"	42.033826
"1212591"	501.199826	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+ACN+H"	42.033826
"1198663"	251.103551	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+ACN+2H"	43.041102
"191897"	963.30316	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+2Na-H"	44.97116
"629268"	1422.46916	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+2Na-H"	44.97116
"1138613"	504.13716	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2Na-H"	44.97116
"177528"	482.155218	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+2Na"	45.978436
"615509"	711.738218	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+2Na"	45.978436
"1118408"	252.572218	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2Na"	45.978436
"1402295"	168.717237333333	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H+2Na"	46.985712
"1431855"	506.178746	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H+HCOOH"	47.012746
"224835"	487.18824	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+3H2O+2H"	56.04448
"1512532"	520.23079	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+IsoProp+H"	61.06479
"411495"	490.142188	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+Na+K"	61.952376
"773583"	719.725188	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+Na+K"	61.952376
"1668454"	260.559188	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Na+K"	61.952376
"253156"	982.347768	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+ACN+Na"	64.015768
"1227320"	523.181768	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+ACN+Na"	64.015768
"1714016"	523.205293	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+NH4+HCOOH"	64.039293
"1179377"	176.044551333333	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+3Na"	68.967654
"1651092"	528.160688	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Na+HCOOH"	68.994688
"158315"	995.25104	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+2K-H"	76.91904
"601890"	1454.41704	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+2K-H"	76.91904
"1085792"	536.08504	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2K-H"	76.91904
"142608"	498.129158	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"2M+2K"	77.926316
"581442"	727.712158	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"3M+2K"	77.926316
"1076039"	268.546158	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2K"	77.926316
"1104874"	538.099592	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2K+H"	78.933592
"1335636"	538.187207	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+DMSO+H"	79.021207
"1008696"	542.226376	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2ACN+H"	83.060376
"1529008"	543.220008	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+IsoProp+Na+H"	84.054008
"999835"	271.616826	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+2ACN+2H"	84.067652
"1591055"	544.134628	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+K+HCOOH"	84.968628
"1425464"	574.166138	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+H+CF3COOH"	115.000138
"1152475"	292.130101	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+3ACN+2H"	125.094202
"1698745"	591.192685	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+NH4+CF3COOH"	132.026685
"1643146"	596.14808	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+Na+CF3COOH"	136.98208
"1580984"	612.12202	"C10286"	"Doronine;48-Secosenecionan-81116-trione 1520-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-"	"C21H30ClNO8"	"459.166"	"M+K+CF3COOH"	152.95602
"812446"	256.1099	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M"	0
"984884"	237.09151	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-H2O-H"	-19.01839
"63367"	169.732657333333	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M-3H"	-3.021828
"509406"	255.102624	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M-3H"	-3.021828
"887206"	84.3626906666667	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-3H"	-3.021828
"395"	255.102624	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M-2H"	-2.014552
"440356"	383.157574	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M-2H"	-2.014552
"818401"	127.047674	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-2H"	-2.014552
"80578"	511.212524	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M-H"	-1.007276
"524892"	767.322424	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M-H"	-1.007276
"903788"	255.102624	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-H"	-1.007276
"50869"	528.239071	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M-2H+NH4"	16.019271
"491524"	784.348971	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M-2H+NH4"	16.019271
"873337"	272.129171	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-2H+NH4"	16.019271
"40147"	533.194466	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M-2H+Na"	20.974666
"477150"	789.304366	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M-2H+Na"	20.974666
"852039"	277.084566	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-2H+Na"	20.974666
"1625951"	277.084566	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Na-2H"	20.974666
"108322"	273.090963	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M-H+Cl"	33.962126
"548242"	401.145913	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M-H+Cl"	33.962126
"939933"	145.036013	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-H+Cl"	33.962126
"276302"	547.189202	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+Cl"	34.969402
"673827"	803.299102	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+Cl"	34.969402
"1282220"	291.079302	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Cl"	34.969402
"29891"	549.168406	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M-2H+K"	36.948606
"470909"	805.278306	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M-2H+K"	36.948606
"846520"	293.058506	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-2H+K"	36.948606
"1563447"	293.058506	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+K-2H"	36.948606
"953516"	301.108094	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-H+HCOOH"	44.998194
"375741"	557.218001	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+HCOOH-H"	44.998201
"353429"	571.233651	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+Hac-H"	59.013851
"1506638"	315.123751	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Hac-H"	59.013851
"967617"	323.090051	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-H+NaCOOH"	66.980151
"123086"	291.079302	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+2Cl"	69.938804
"554990"	419.134252	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+2Cl"	69.938804
"1036195"	163.024352	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2Cl"	69.938804
"1254679"	335.028785	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Br"	78.918885
"1317490"	337.084772	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Cl+HCOOH"	80.974872
"1331340"	359.066729	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Cl+NaCOOH"	102.956829
"922032"	369.095486	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M-H+CF3COOH"	112.985586
"1296557"	405.072164	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Cl+CF3COOH"	148.962264
"1382265"	221.097224	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H-2H2O"	-35.012676
"1396230"	239.1072	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H-H2O"	-17.0027
"297991"	513.227076	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+H"	1.007276
"690652"	769.336976	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+H"	1.007276
"1365053"	257.117176	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H"	1.007276
"139763"	257.117176	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+2H"	2.014552
"579812"	385.172126	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+2H"	2.014552
"1050309"	129.062226	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2H"	2.014552
"208731"	171.747209333333	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+3H"	3.021828
"655218"	257.117176	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+3H"	3.021828
"1171884"	86.3772426666667	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+3H"	3.021828
"427501"	530.253623	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+NH4"	18.033823
"796150"	786.363523	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+NH4"	18.033823
"1689200"	274.143723	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+NH4"	18.033823
"337478"	265.6304495	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+H+NH4"	19.041099
"727711"	393.6853995	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+H+NH4"	19.041099
"1479709"	137.5754995	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H+NH4"	19.041099
"401316"	535.209018	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+Na"	22.989218
"765595"	791.318918	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+Na"	22.989218
"1610412"	279.099118	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Na"	22.989218
"320447"	268.108147	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+H+Na"	23.996494
"707276"	396.163097	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+H+Na"	23.996494
"1464496"	140.053197	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H+Na"	23.996494
"1053361"	93.7045566666666	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2H+Na"	25.00377
"1260876"	289.143386	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+CH3OH+H"	33.033486
"378240"	551.182958	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+K"	38.963158
"739115"	807.292858	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+K"	38.963158
"1540316"	295.073058	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+K"	38.963158
"300409"	276.095117	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+H+K"	39.970434
"693932"	404.150067	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+H+K"	39.970434
"1449208"	148.040167	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H+K"	39.970434
"239634"	554.253626	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+ACN+H"	42.033826
"1216714"	298.143726	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+ACN+H"	42.033826
"1200596"	149.575501	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+ACN+2H"	43.041102
"190551"	557.19096	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+2Na-H"	44.97116
"628810"	813.30086	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+2Na-H"	44.97116
"1139816"	301.08106	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2Na-H"	44.97116
"176909"	279.099118	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+2Na"	45.978436
"618293"	407.154068	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+2Na"	45.978436
"1118518"	151.044168	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2Na"	45.978436
"1402041"	101.031870666667	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H+2Na"	46.985712
"1431605"	303.122646	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H+HCOOH"	47.012746
"224945"	284.13214	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+3H2O+2H"	56.04448
"1513007"	317.17469	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+IsoProp+H"	61.06479
"411605"	287.086088	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+Na+K"	61.952376
"773693"	415.141038	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+Na+K"	61.952376
"1667831"	159.031138	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Na+K"	61.952376
"253265"	576.235568	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+ACN+Na"	64.015768
"1227796"	320.125668	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+ACN+Na"	64.015768
"1714126"	320.149193	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+NH4+HCOOH"	64.039293
"1180580"	108.359184666667	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+3Na"	68.967654
"1651202"	325.104588	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Na+HCOOH"	68.994688
"158425"	589.13884	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+2K-H"	76.91904
"603095"	845.24874	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+2K-H"	76.91904
"1085538"	333.02894	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2K-H"	76.91904
"142354"	295.073058	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"2M+2K"	77.926316
"581502"	423.128008	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"3M+2K"	77.926316
"1076149"	167.018108	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2K"	77.926316
"1104984"	335.043492	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2K+H"	78.933592
"1336264"	335.131107	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+DMSO+H"	79.021207
"1009899"	339.170276	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2ACN+H"	83.060376
"1528025"	340.163908	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+IsoProp+Na+H"	84.054008
"1001038"	170.088776	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+2ACN+2H"	84.067652
"1589343"	341.078528	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+K+HCOOH"	84.968628
"1422294"	371.110038	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+H+CF3COOH"	115.000138
"1152585"	190.602051	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+3ACN+2H"	125.094202
"1697762"	388.136585	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+NH4+CF3COOH"	132.026685
"1643256"	393.09198	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+Na+CF3COOH"	136.98208
"1581094"	409.06592	"C10287"	"Pterostilbene"	"C16H16O3"	"256.1099"	"M+K+CF3COOH"	152.95602
"811462"	420.142	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M"	0
"981714"	401.12361	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-H2O-H"	-19.01839
"62911"	279.087390666667	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M-3H"	-3.021828
"506236"	419.134724	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M-3H"	-3.021828
"886223"	139.040057333333	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-3H"	-3.021828
"1518"	419.134724	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M-2H"	-2.014552
"441316"	629.205724	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M-2H"	-2.014552
"817900"	209.063724	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-2H"	-2.014552
"78897"	839.276724	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M-H"	-1.007276
"526095"	1259.418724	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M-H"	-1.007276
"903897"	419.134724	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-H"	-1.007276
"52072"	856.303271	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M-2H+NH4"	16.019271
"489443"	1276.445271	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M-2H+NH4"	16.019271
"873447"	436.161271	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-2H+NH4"	16.019271
"35147"	861.258666	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M-2H+Na"	20.974666
"477624"	1281.400666	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M-2H+Na"	20.974666
"856524"	441.116666	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-2H+Na"	20.974666
"1621685"	441.116666	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Na-2H"	20.974666
"107946"	437.123063	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M-H+Cl"	33.962126
"547989"	647.194063	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M-H+Cl"	33.962126
"937857"	227.052063	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-H+Cl"	33.962126
"276412"	875.253402	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+Cl"	34.969402
"673208"	1295.395402	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+Cl"	34.969402
"1283424"	455.111402	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Cl"	34.969402
"30002"	877.232606	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M-2H+K"	36.948606
"469198"	1297.374606	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M-2H+K"	36.948606
"847361"	457.090606	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-2H+K"	36.948606
"1570485"	457.090606	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+K-2H"	36.948606
"956907"	465.140194	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-H+HCOOH"	44.998194
"376546"	885.282201	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+HCOOH-H"	44.998201
"354632"	899.297851	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+Hac-H"	59.013851
"1505655"	479.155851	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Hac-H"	59.013851
"967727"	487.122151	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-H+NaCOOH"	66.980151
"119916"	455.111402	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+2Cl"	69.938804
"555100"	665.182402	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+2Cl"	69.938804
"1035575"	245.040402	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2Cl"	69.938804
"1254788"	499.060885	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Br"	78.918885
"1315777"	501.116872	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Cl+HCOOH"	80.974872
"1329991"	523.098829	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Cl+NaCOOH"	102.956829
"921049"	533.127586	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M-H+CF3COOH"	112.985586
"1296666"	569.104264	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Cl+CF3COOH"	148.962264
"1382370"	385.129324	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H-2H2O"	-35.012676
"1395610"	403.1393	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H-H2O"	-17.0027
"297736"	841.291276	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+H"	1.007276
"690639"	1261.433276	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+H"	1.007276
"1364070"	421.149276	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H"	1.007276
"139509"	421.149276	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+2H"	2.014552
"577245"	631.220276	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+2H"	2.014552
"1046772"	211.078276	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2H"	2.014552
"208841"	281.101942666667	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+3H"	3.021828
"655692"	421.149276	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+3H"	3.021828
"1171994"	141.054609333333	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+3H"	3.021828
"429798"	858.317823	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+NH4"	18.033823
"796260"	1278.459823	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+NH4"	18.033823
"1689310"	438.175823	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+NH4"	18.033823
"337589"	429.6625495	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+H+NH4"	19.041099
"727092"	639.7335495	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+H+NH4"	19.041099
"1480549"	219.5915495	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H+NH4"	19.041099
"403612"	863.273218	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+Na"	22.989218
"765705"	1283.415218	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+Na"	22.989218
"1611615"	443.131218	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Na"	22.989218
"320557"	432.140247	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+H+Na"	23.996494
"709696"	642.211247	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+H+Na"	23.996494
"1467886"	222.069247	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H+Na"	23.996494
"1055661"	148.381923333333	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2H+Na"	25.00377
"1262809"	453.175486	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+CH3OH+H"	33.033486
"379200"	879.247158	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+K"	38.963158
"739348"	1299.389158	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+K"	38.963158
"1540431"	459.105158	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+K"	38.963158
"300155"	440.127217	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+H+K"	39.970434
"694406"	650.198217	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+H+K"	39.970434
"1451141"	230.056217	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H+K"	39.970434
"241931"	882.317826	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+ACN+H"	42.033826
"1214637"	462.175826	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+ACN+H"	42.033826
"1200706"	231.591551	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+ACN+2H"	43.041102
"190660"	885.25516	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+2Na-H"	44.97116
"629855"	1305.39716	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+2Na-H"	44.97116
"1141019"	465.11316	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2Na-H"	44.97116
"177748"	443.131218	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+2Na"	45.978436
"615486"	653.202218	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+2Na"	45.978436
"1121907"	233.060218	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2Na"	45.978436
"1402151"	155.709237333333	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H+2Na"	46.985712
"1431710"	467.154746	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H+HCOOH"	47.012746
"222868"	448.16424	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+3H2O+2H"	56.04448
"1511658"	481.20679	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+IsoProp+H"	61.06479
"413902"	451.118188	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+Na+K"	61.952376
"773803"	661.189188	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+Na+K"	61.952376
"1668306"	241.047188	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Na+K"	61.952376
"252640"	904.299768	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+ACN+Na"	64.015768
"1226811"	484.157768	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+ACN+Na"	64.015768
"1714600"	484.181293	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+NH4+HCOOH"	64.039293
"1178653"	163.036551333333	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+3Na"	68.967654
"1650002"	489.136688	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Na+HCOOH"	68.994688
"157230"	917.20304	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+2K-H"	76.91904
"603205"	1337.34504	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+2K-H"	76.91904
"1085648"	497.06104	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2K-H"	76.91904
"142017"	459.105158	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"2M+2K"	77.926316
"581819"	669.176158	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"3M+2K"	77.926316
"1079541"	249.034158	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2K"	77.926316
"1105094"	499.075592	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2K+H"	78.933592
"1335927"	499.163207	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+DMSO+H"	79.021207
"1010009"	503.202376	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2ACN+H"	83.060376
"1528135"	504.196008	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+IsoProp+Na+H"	84.054008
"998961"	252.104826	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+2ACN+2H"	84.067652
"1592368"	505.110628	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+K+HCOOH"	84.968628
"1421310"	535.142138	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+H+CF3COOH"	115.000138
"1153788"	272.618101	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+3ACN+2H"	125.094202
"1697993"	552.168685	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+NH4+CF3COOH"	132.026685
"1637898"	557.12408	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+Na+CF3COOH"	136.98208
"1581204"	573.09802	"C10288"	"Rhaponticin;Rhapontin"	"C21H24O9"	"420.142"	"M+K+CF3COOH"	152.95602
"816190"	454.1416	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M"	0
"987291"	435.12321	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-H2O-H"	-19.01839
"68975"	301.753790666667	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M-3H"	-3.021828
"511814"	453.134324	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M-3H"	-3.021828
"889614"	150.373257333333	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-3H"	-3.021828
"7097"	453.134324	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M-2H"	-2.014552
"441185"	680.205124	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M-2H"	-2.014552
"819351"	226.063524	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-2H"	-2.014552
"80312"	907.275924	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M-H"	-1.007276
"527298"	1361.417524	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M-H"	-1.007276
"907287"	453.134324	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-H"	-1.007276
"52911"	924.302471	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M-2H+NH4"	16.019271
"491739"	1378.444071	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M-2H+NH4"	16.019271
"872462"	470.160871	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-2H+NH4"	16.019271
"34891"	929.257866	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M-2H+Na"	20.974666
"478829"	1383.399466	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M-2H+Na"	20.974666
"853714"	475.116266	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-2H+Na"	20.974666
"1622888"	475.116266	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Na-2H"	20.974666
"108657"	471.122663	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M-H+Cl"	33.962126
"543356"	698.193463	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M-H+Cl"	33.962126
"937599"	244.051863	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-H+Cl"	33.962126
"269230"	943.252602	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+Cl"	34.969402
"668943"	1397.394202	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+Cl"	34.969402
"1276972"	489.111002	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Cl"	34.969402
"30844"	945.231806	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M-2H+K"	36.948606
"470281"	1399.373406	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M-2H+K"	36.948606
"848324"	491.090206	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-2H+K"	36.948606
"1570474"	491.090206	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+K-2H"	36.948606
"957017"	499.139794	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-H+HCOOH"	44.998194
"376986"	953.281401	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+HCOOH-H"	44.998201
"355835"	967.297051	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+Hac-H"	59.013851
"1501386"	513.155451	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Hac-H"	59.013851
"968930"	521.121751	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-H+NaCOOH"	66.980151
"124398"	489.111002	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+2Cl"	69.938804
"556303"	716.181802	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+2Cl"	69.938804
"1026193"	262.040202	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2Cl"	69.938804
"1255263"	533.060485	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Br"	78.918885
"1315886"	535.116472	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Cl+HCOOH"	80.974872
"1329008"	557.098429	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Cl+NaCOOH"	102.956829
"920065"	567.127186	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M-H+CF3COOH"	112.985586
"1297869"	603.103864	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Cl+CF3COOH"	148.962264
"1381144"	419.128924	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H-2H2O"	-35.012676
"1394261"	437.1389	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H-H2O"	-17.0027
"297232"	909.290476	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+H"	1.007276
"690016"	1363.432076	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+H"	1.007276
"1365272"	455.148876	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H"	1.007276
"138160"	455.148876	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+2H"	2.014552
"578083"	682.219676	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+2H"	2.014552
"1047246"	228.078076	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2H"	2.014552
"208951"	303.768342666667	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+3H"	3.021828
"655073"	455.148876	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+3H"	3.021828
"1172104"	152.387809333333	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+3H"	3.021828
"431002"	926.317023	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+NH4"	18.033823
"796370"	1380.458623	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+NH4"	18.033823
"1687233"	472.175423	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+NH4"	18.033823
"340615"	463.6621495	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+H+NH4"	19.041099
"730118"	690.7329495	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+H+NH4"	19.041099
"1482846"	236.5913495	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H+NH4"	19.041099
"405909"	931.272418	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+Na"	22.989218
"768851"	1385.414018	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+Na"	22.989218
"1611725"	477.130818	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Na"	22.989218
"321760"	466.139847	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+H+Na"	23.996494
"711992"	693.210647	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+H+Na"	23.996494
"1463624"	239.069047	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H+Na"	23.996494
"1055408"	159.715123333333	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2H+Na"	25.00377
"1262920"	487.175086	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+CH3OH+H"	33.033486
"379675"	947.246358	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+K"	38.963158
"740310"	1401.387958	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+K"	38.963158
"1542363"	493.104758	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+K"	38.963158
"302817"	474.126817	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+H+K"	39.970434
"695609"	701.197617	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+H+K"	39.970434
"1454530"	247.056017	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H+K"	39.970434
"243131"	950.317026	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+ACN+H"	42.033826
"1220213"	496.175426	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+ACN+H"	42.033826
"1204097"	248.591351	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+ACN+2H"	43.041102
"195875"	953.25436	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+2Na-H"	44.97116
"633248"	1407.39596	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+2Na-H"	44.97116
"1138942"	499.11276	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2Na-H"	44.97116
"181139"	477.130818	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+2Na"	45.978436
"618513"	704.201618	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+2Na"	45.978436
"1122018"	250.060018	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2Na"	45.978436
"1402261"	167.042437333333	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H+2Na"	46.985712
"1437657"	501.154346	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H+HCOOH"	47.012746
"225165"	482.16384	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+3H2O+2H"	56.04448
"1514321"	515.20639	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+IsoProp+H"	61.06479
"414012"	485.117788	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+Na+K"	61.952376
"775007"	712.188588	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+Na+K"	61.952376
"1673524"	258.046988	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Na+K"	61.952376
"260042"	972.298968	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+ACN+Na"	64.015768
"1230569"	518.157368	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+ACN+Na"	64.015768
"1713622"	518.180893	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+NH4+HCOOH"	64.039293
"1178848"	174.369751333333	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+3Na"	68.967654
"1650081"	523.136288	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Na+HCOOH"	68.994688
"159375"	985.20224	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+2K-H"	76.91904
"603315"	1439.34384	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+2K-H"	76.91904
"1087827"	531.06064	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2K-H"	76.91904
"144642"	493.104758	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"2M+2K"	77.926316
"585295"	720.175558	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"3M+2K"	77.926316
"1079651"	266.033958	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2K"	77.926316
"1101924"	533.075192	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2K+H"	78.933592
"1337214"	533.162807	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+DMSO+H"	79.021207
"1010119"	537.201976	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2ACN+H"	83.060376
"1535902"	538.195608	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+IsoProp+Na+H"	84.054008
"1001258"	269.104626	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+2ACN+2H"	84.067652
"1599041"	539.110228	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+K+HCOOH"	84.968628
"1425794"	569.141738	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+H+CF3COOH"	115.000138
"1152805"	289.617901	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+3ACN+2H"	125.094202
"1699074"	586.168285	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+NH4+CF3COOH"	132.026685
"1636914"	591.12368	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+Na+CF3COOH"	136.98208
"1575846"	607.09762	"C10289"	"epsilon-Viniferin"	"C28H22O6"	"454.1416"	"M+K+CF3COOH"	152.95602
"814962"	192.0423	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M"	0
"984121"	173.02391	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"67991"	127.020924	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"506457"	191.035024	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"885351"	63.006824	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"7206"	191.035024	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"441169"	287.056174	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"818730"	95.013874	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"80180"	383.077324	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"526315"	575.119624	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"907397"	191.035024	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"51928"	400.103871	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"491486"	592.146171	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"870385"	208.061571	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"33908"	405.059266	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"477845"	597.101566	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"856743"	213.016966	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1625184"	213.016966	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"107916"	209.023363	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"544559"	305.044513	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"938074"	113.002213	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"270797"	419.054002	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"669053"	611.096302	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1277082"	227.011702	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"30587"	421.033206	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"470999"	613.075506	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"847948"	228.990906	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1570583"	228.990906	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"957985"	237.040494	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"376607"	429.082801	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"359590"	443.098451	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1499309"	251.056151	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"969040"	259.022451	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"124508"	227.011702	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"564068"	323.032852	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1027398"	130.990552	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1255009"	270.961185	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1311622"	273.017172	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1331305"	294.999129	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"920176"	305.027886	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1297979"	341.004564	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1381985"	157.029624	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1394735"	175.0396	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"298071"	385.091876	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"690490"	577.134176	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1366111"	193.049576	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"137541"	193.049576	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"577464"	289.070726	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1047356"	97.028426	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"214161"	129.035476	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"652993"	193.049576	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1170025"	65.021376	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"430018"	402.118423	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"794293"	594.160723	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1686249"	210.076123	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"336715"	201.5628495	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"728042"	297.5839995	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1480769"	105.5416995	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"400552"	407.073818	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"769203"	599.116118	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1611835"	215.031518	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"320777"	204.040547	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"713195"	300.061697	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1464827"	108.019397	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1055885"	72.34869	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1263030"	225.075786	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"381971"	423.047758	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"742606"	615.090058	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1544657"	231.005458	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"305111"	212.027517	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"695352"	308.048667	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1451359"	116.006367	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"245428"	426.118426	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1213761"	234.076126	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1205300"	117.541701	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"198172"	429.05576	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"634086"	621.09806	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1139051"	237.01346	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"184529"	215.031518	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"622996"	311.052668	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1122128"	119.010368	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1402371"	79.676004	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1434488"	239.055046	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"228555"	220.06454	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1514431"	253.10709	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"415215"	223.018488	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"775117"	319.039638	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1672541"	126.997338	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"260152"	448.100368	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1227396"	256.058068	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1714094"	256.081593	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1180659"	87.003318	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1651161"	261.036988	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"160578"	461.00364	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"603425"	653.04594	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1087937"	268.96134	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"144752"	231.005458	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"585405"	327.026608	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1080854"	134.984308	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1109689"	270.975892	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1340606"	271.063507	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1017884"	275.102676	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1533824"	276.096308	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"1001368"	138.054976	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1596964"	277.010928	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1422624"	307.042438	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1156196"	158.568251	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1699185"	324.068985	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1638118"	329.02438	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1572308"	344.99832	"C10290"	"Acamelin"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"813979"	254.0579	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M"	0
"985324"	235.03951	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"68101"	168.364657333333	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"506567"	253.050624	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"882546"	83.6786906666667	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"8409"	253.050624	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"441037"	380.079574	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"817301"	126.021674	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"78870"	507.108524	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"525332"	761.166424	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"906414"	253.050624	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"52038"	524.135071	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"490868"	778.192971	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"870495"	270.077171	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"32925"	529.090466	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"476862"	783.148366	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"853573"	275.032566	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1622013"	275.032566	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"107295"	271.038963	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"546856"	398.067913	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"938183"	144.010013	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"271636"	543.085202	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"662601"	797.143102	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1278285"	289.027302	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"29842"	545.064406	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"470582"	799.122306	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"848389"	291.006506	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1571184"	291.006506	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"958055"	299.056094	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"377030"	553.114001	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"361304"	567.129651	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1499784"	313.071751	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"972430"	321.038051	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"123525"	289.027302	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"564178"	416.056252	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1028601"	161.998352	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1254024"	332.976785	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1312825"	335.032772	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1331415"	357.014729	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"920286"	367.043486	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1299182"	403.020164	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1380269"	219.045224	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1392657"	237.0552	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"296723"	509.123076	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"690843"	763.180976	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1362209"	255.065176	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"137285"	255.065176	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"580126"	382.094126	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1048194"	128.036226	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"213542"	170.379209333333	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"653102"	255.065176	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1171228"	85.6932426666667	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"431219"	526.149623	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"787474"	780.207523	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1684169"	272.091723	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"332815"	263.5784495	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"725963"	390.6073995	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1478446"	136.5494995	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"402848"	531.105018	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"767127"	785.162918	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1615225"	277.047118	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"324166"	266.056147	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"713305"	393.085097	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1463844"	139.027197	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1055995"	93.0205566666667	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1259861"	287.091386	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"379896"	547.078958	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"741987"	801.136858	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1544038"	293.021058	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"302671"	274.043117	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"696555"	401.072067	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1451469"	147.014167	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"243351"	550.149626	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1211685"	296.091726	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1204317"	148.549501	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"196095"	553.08696	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"634926"	807.14486	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1139161"	299.02906	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"182453"	277.047118	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"623106"	404.076068	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1118958"	150.018168	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1403574"	100.347870666667	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1435691"	301.070646	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"228665"	282.08014	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1514541"	315.12269	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"415325"	285.034088	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"774134"	412.063038	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1669371"	158.005138	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"256982"	572.131568	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1227871"	318.073668	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1715299"	318.097193	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1179919"	107.675184666667	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1650903"	323.052588	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"158014"	585.03484	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"601342"	839.09274	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1089140"	330.97694	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"147048"	293.021058	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"585514"	420.050008	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1080964"	165.992108	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1110892"	332.991492	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1341809"	333.079107	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1017994"	337.118276	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1536120"	338.111908	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1001478"	169.062776	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1593794"	339.026528	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1422733"	369.058038	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1156306"	189.576051	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1699295"	386.084585	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1638228"	391.03998	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1572054"	407.01392	"C10291"	"Alizarin 2-methyl ether;1-Hydroxy-2-methoxyanthraquinone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"814089"	288.0998	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M"	0
"982157"	269.08141	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-H2O-H"	-19.01839
"67120"	191.059257333333	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M-3H"	-3.021828
"505584"	287.092524	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M-3H"	-3.021828
"881198"	95.0259906666667	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-3H"	-3.021828
"7427"	287.092524	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M-2H"	-2.014552
"442240"	431.142424	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M-2H"	-2.014552
"818466"	143.042624	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-2H"	-2.014552
"80402"	575.192324	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M-H"	-1.007276
"525442"	863.292124	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M-H"	-1.007276
"906524"	287.092524	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-H"	-1.007276
"52149"	592.218871	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M-2H+NH4"	16.019271
"492803"	880.318671	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M-2H+NH4"	16.019271
"870605"	304.119071	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-2H+NH4"	16.019271
"33035"	597.174266	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M-2H+Na"	20.974666
"475880"	885.274066	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M-2H+Na"	20.974666
"852954"	309.074466	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-2H+Na"	20.974666
"1620301"	309.074466	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Na-2H"	20.974666
"107405"	305.080863	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M-H+Cl"	33.962126
"546966"	449.130763	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M-H+Cl"	33.962126
"938293"	161.030963	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-H+Cl"	33.962126
"269196"	611.169002	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+Cl"	34.969402
"660889"	899.268802	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+Cl"	34.969402
"1278395"	323.069202	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Cl"	34.969402
"29708"	613.148206	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M-2H+K"	36.948606
"471384"	901.248006	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M-2H+K"	36.948606
"848495"	325.048406	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-2H+K"	36.948606
"1570927"	325.048406	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+K-2H"	36.948606
"958332"	333.097994	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-H+HCOOH"	44.998194
"376864"	621.197801	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+HCOOH-H"	44.998201
"361033"	635.213451	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+Hac-H"	59.013851
"1500624"	347.113651	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Hac-H"	59.013851
"971448"	355.079951	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-H+NaCOOH"	66.980151
"123636"	323.069202	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+2Cl"	69.938804
"563924"	467.119102	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+2Cl"	69.938804
"1027619"	179.019302	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2Cl"	69.938804
"1256853"	367.018685	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Br"	78.918885
"1312936"	369.074672	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Cl+HCOOH"	80.974872
"1329337"	391.056629	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Cl+NaCOOH"	102.956829
"920396"	401.085386	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M-H+CF3COOH"	112.985586
"1297107"	437.062064	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Cl+CF3COOH"	148.962264
"1382202"	253.087124	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H-2H2O"	-35.012676
"1395683"	271.0971	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H-H2O"	-17.0027
"297565"	577.206876	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+H"	1.007276
"691296"	865.306676	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+H"	1.007276
"1364870"	289.107076	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H"	1.007276
"138123"	289.107076	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+2H"	2.014552
"580115"	433.156976	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+2H"	2.014552
"1047575"	145.057176	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2H"	2.014552
"214382"	193.073809333333	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+3H"	3.021828
"649932"	289.107076	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+3H"	3.021828
"1171338"	97.0405426666667	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+3H"	3.021828
"431329"	594.233423	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+NH4"	18.033823
"786127"	882.333223	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+NH4"	18.033823
"1684279"	306.133623	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+NH4"	18.033823
"335841"	297.6203495	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+H+NH4"	19.041099
"727168"	441.6702495	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+H+NH4"	19.041099
"1478436"	153.5704495	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H+NH4"	19.041099
"404051"	599.188818	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+Na"	22.989218
"768330"	887.288618	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+Na"	22.989218
"1616428"	311.089018	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Na"	22.989218
"320997"	300.098047	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+H+Na"	23.996494
"712322"	444.147947	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+H+Na"	23.996494
"1465048"	156.048147	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H+Na"	23.996494
"1055012"	104.367856666667	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2H+Na"	25.00377
"1258876"	321.133286	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+CH3OH+H"	33.033486
"379642"	615.162758	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+K"	38.963158
"741368"	903.262558	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+K"	38.963158
"1543055"	327.062958	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+K"	38.963158
"301687"	308.085017	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+H+K"	39.970434
"695572"	452.134917	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+H+K"	39.970434
"1451579"	164.035117	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H+K"	39.970434
"245648"	618.233426	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+ACN+H"	42.033826
"1217264"	330.133626	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+ACN+H"	42.033826
"1201147"	165.570451	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+ACN+2H"	43.041102
"196205"	621.17076	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+2Na-H"	44.97116
"632485"	909.27056	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+2Na-H"	44.97116
"1134168"	333.07096	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2Na-H"	44.97116
"175030"	311.089018	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+2Na"	45.978436
"616656"	455.138918	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+2Na"	45.978436
"1116147"	167.039118	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2Na"	45.978436
"1399796"	111.695170666667	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H+2Na"	46.985712
"1429936"	335.112546	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H+HCOOH"	47.012746
"220388"	316.12204	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+3H2O+2H"	56.04448
"1508459"	349.16459	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+IsoProp+H"	61.06479
"412154"	319.075988	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+Na+K"	61.952376
"770353"	463.125888	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+Na+K"	61.952376
"1667658"	175.026088	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Na+K"	61.952376
"252719"	640.215368	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+ACN+Na"	64.015768
"1227252"	352.115568	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+ACN+Na"	64.015768
"1713586"	352.139093	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+NH4+HCOOH"	64.039293
"1182222"	119.022484666667	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+3Na"	68.967654
"1651750"	357.094488	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Na+HCOOH"	68.994688
"160070"	653.11864	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+2K-H"	76.91904
"602547"	941.21844	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+2K-H"	76.91904
"1088157"	365.01884	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2K-H"	76.91904
"146428"	327.062958	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"2M+2K"	77.926316
"587810"	471.112858	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"3M+2K"	77.926316
"1079981"	183.013058	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2K"	77.926316
"1111002"	367.033392	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2K+H"	78.933592
"1341919"	367.121007	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+DMSO+H"	79.021207
"1015917"	371.160176	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2ACN+H"	83.060376
"1537324"	372.153808	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+IsoProp+Na+H"	84.054008
"999402"	186.083726	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+2ACN+2H"	84.067652
"1597186"	373.068428	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+K+HCOOH"	84.968628
"1423937"	403.099938	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+H+CF3COOH"	115.000138
"1155323"	206.597001	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+3ACN+2H"	125.094202
"1701592"	420.126485	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+NH4+CF3COOH"	132.026685
"1638337"	425.08188	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+Na+CF3COOH"	136.98208
"1572895"	441.05582	"C10292"	"Alkannin"	"C16H16O5"	"288.0998"	"M+K+CF3COOH"	152.95602
"814930"	370.1416	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M"	0
"982267"	351.12321	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-H2O-H"	-19.01839
"67229"	245.753790666667	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M-3H"	-3.021828
"503262"	369.134324	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M-3H"	-3.021828
"880700"	122.373257333333	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-3H"	-3.021828
"6444"	369.134324	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M-2H"	-2.014552
"441017"	554.205124	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M-2H"	-2.014552
"817093"	184.063524	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-2H"	-2.014552
"80511"	739.275924	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M-H"	-1.007276
"522272"	1109.417524	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M-H"	-1.007276
"903354"	369.134324	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-H"	-1.007276
"54447"	756.302471	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M-2H+NH4"	16.019271
"494008"	1126.444071	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M-2H+NH4"	16.019271
"867432"	386.160871	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-2H+NH4"	16.019271
"32168"	761.257866	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M-2H+Na"	20.974666
"475624"	1131.399466	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M-2H+Na"	20.974666
"851606"	391.116266	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-2H+Na"	20.974666
"1620410"	391.116266	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Na-2H"	20.974666
"107515"	387.122663	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M-H+Cl"	33.962126
"542701"	572.193463	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M-H+Cl"	33.962126
"938403"	202.051863	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-H+Cl"	33.962126
"270399"	775.252602	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+Cl"	34.969402
"662819"	1145.394202	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+Cl"	34.969402
"1274131"	405.111002	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Cl"	34.969402
"29092"	777.231806	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M-2H+K"	36.948606
"471142"	1147.373406	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M-2H+K"	36.948606
"848173"	407.090206	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-2H+K"	36.948606
"1570429"	407.090206	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+K-2H"	36.948606
"957829"	415.139794	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-H+HCOOH"	44.998194
"376652"	785.281401	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+HCOOH-H"	44.998201
"360777"	799.297051	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+Hac-H"	59.013851
"1506201"	429.155451	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Hac-H"	59.013851
"972651"	437.121751	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-H+NaCOOH"	66.980151
"123018"	405.111002	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+2Cl"	69.938804
"563305"	590.181802	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+2Cl"	69.938804
"1027729"	220.040202	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2Cl"	69.938804
"1256438"	449.060485	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Br"	78.918885
"1317058"	451.116472	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Cl+HCOOH"	80.974872
"1332000"	473.098429	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Cl+NaCOOH"	102.956829
"925245"	483.127186	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M-H+CF3COOH"	112.985586
"1303783"	519.103864	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Cl+CF3COOH"	148.962264
"1382583"	335.128924	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H-2H2O"	-35.012676
"1392877"	353.1389	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H-H2O"	-17.0027
"298038"	741.290476	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+H"	1.007276
"690699"	1111.432076	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+H"	1.007276
"1362793"	371.148876	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H"	1.007276
"138233"	371.148876	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+2H"	2.014552
"579984"	556.219676	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+2H"	2.014552
"1047685"	186.078076	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2H"	2.014552
"215221"	247.768342666667	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+3H"	3.021828
"650042"	371.148876	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+3H"	3.021828
"1172541"	124.387809333333	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+3H"	3.021828
"430346"	758.317023	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+NH4"	18.033823
"785991"	1128.458623	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+NH4"	18.033823
"1681959"	388.175423	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+NH4"	18.033823
"330358"	379.6621495	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+H+NH4"	19.041099
"722978"	564.7329495	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+H+NH4"	19.041099
"1478058"	194.5913495	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H+NH4"	19.041099
"400880"	763.272418	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+Na"	22.989218
"767348"	1133.414018	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+Na"	22.989218
"1617392"	393.130818	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Na"	22.989218
"326574"	382.139847	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+H+Na"	23.996494
"712433"	567.210647	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+H+Na"	23.996494
"1464063"	197.069047	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H+Na"	23.996494
"1055122"	131.715123333333	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2H+Na"	25.00377
"1259349"	403.175086	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+CH3OH+H"	33.033486
"380846"	779.246358	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+K"	38.963158
"741478"	1149.387958	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+K"	38.963158
"1542435"	409.104758	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+K"	38.963158
"302164"	390.126817	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+H+K"	39.970434
"696776"	575.197617	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+H+K"	39.970434
"1451689"	205.056017	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H+K"	39.970434
"245758"	782.317026	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+ACN+H"	42.033826
"1217374"	412.175426	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+ACN+H"	42.033826
"1202351"	206.591351	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+ACN+2H"	43.041102
"196316"	785.25436	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+2Na-H"	44.97116
"638063"	1155.39596	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+2Na-H"	44.97116
"1135006"	415.11276	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2Na-H"	44.97116
"176112"	393.130818	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+2Na"	45.978436
"615672"	578.201618	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+2Na"	45.978436
"1116254"	208.060018	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2Na"	45.978436
"1399421"	139.042437333333	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H+2Na"	46.985712
"1430153"	417.154346	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H+HCOOH"	47.012746
"220979"	398.16384	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+3H2O+2H"	56.04448
"1508802"	431.20639	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+IsoProp+H"	61.06479
"410439"	401.117788	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+Na+K"	61.952376
"770259"	586.188588	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+Na+K"	61.952376
"1667404"	216.046988	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Na+K"	61.952376
"253922"	804.298968	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+ACN+Na"	64.015768
"1226264"	434.157368	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+ACN+Na"	64.015768
"1713332"	434.180893	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+NH4+HCOOH"	64.039293
"1185614"	146.369751333333	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+3Na"	68.967654
"1651131"	439.136288	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Na+HCOOH"	68.994688
"165285"	817.20224	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+2K-H"	76.91904
"602657"	1187.34384	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+2K-H"	76.91904
"1085346"	447.06064	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2K-H"	76.91904
"142283"	409.104758	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"2M+2K"	77.926316
"586827"	594.175558	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"3M+2K"	77.926316
"1077904"	224.033958	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2K"	77.926316
"1105645"	449.075192	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2K+H"	78.933592
"1342029"	449.162807	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+DMSO+H"	79.021207
"1012747"	453.201976	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2ACN+H"	83.060376
"1533060"	454.195608	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+IsoProp+Na+H"	84.054008
"1000605"	227.104626	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+2ACN+2H"	84.067652
"1601916"	455.110228	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+K+HCOOH"	84.968628
"1429600"	485.141738	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+H+CF3COOH"	115.000138
"1155433"	247.617901	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+3ACN+2H"	125.094202
"1706077"	502.168285	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+NH4+CF3COOH"	132.026685
"1640635"	507.12368	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+Na+CF3COOH"	136.98208
"1575193"	523.09762	"C10293"	"Alkannin betabeta-dimethylacrylate"	"C21H22O6"	"370.1416"	"M+K+CF3COOH"	152.95602
"811030"	270.0528	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M"	0
"982377"	251.03441	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"68431"	179.027924	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"505804"	269.045524	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"882511"	89.010324	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"7646"	269.045524	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"443558"	404.071924	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"820273"	134.019124	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"82085"	539.098324	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"522382"	809.151124	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"903464"	269.045524	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"53464"	556.124871	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"494118"	826.177671	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"867541"	286.072071	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"32767"	561.080266	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"475735"	831.133066	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"854997"	291.027466	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1621977"	291.027466	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"101064"	287.033863	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"540625"	422.060263	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"934138"	152.007463	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"269415"	575.075002	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"660213"	845.127802	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1274241"	305.022202	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"28837"	577.054206	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"470355"	847.107006	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"848157"	307.001406	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1569326"	307.001406	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"958181"	315.050994	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"376518"	585.103801	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"361325"	599.119451	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1505586"	329.066651	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"971301"	337.032951	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"122036"	305.022202	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"556853"	440.048602	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1028932"	169.995802	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1246320"	348.971685	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1307676"	351.027672	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1332474"	373.009629	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"922439"	383.038386	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1301702"	419.015064	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1381328"	235.040124	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1397849"	253.0501	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"298027"	541.112876	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"690931"	811.165676	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1363267"	271.060076	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"140531"	271.060076	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"579732"	406.086476	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1051809"	136.033676	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"216788"	181.042476	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"655256"	271.060076	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1173745"	91.024876	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"430456"	558.139423	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"787196"	828.192223	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1684134"	288.086623	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"333875"	279.5733495	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"731764"	414.5997495	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1481210"	144.5469495	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"404267"	563.094818	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"767458"	833.147618	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1616648"	293.042018	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"326684"	282.051047	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"716917"	417.077447	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1467455"	147.024647	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1059606"	98.35219	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1260189"	303.086286	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"379494"	579.068758	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"740859"	849.121558	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1542545"	309.015958	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"301540"	290.038017	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"696886"	425.064417	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1451799"	155.011617	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"245868"	582.139426	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1218577"	312.086626	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1203554"	156.546951	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"199706"	585.07676	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"638902"	855.12956	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1134752"	315.02396	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"178407"	293.042018	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"615781"	428.068418	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1117097"	158.015618	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1401717"	105.679504	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1431032"	317.065546	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"221091"	298.07504	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1511955"	331.11759	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"410913"	301.028988	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"770451"	436.055388	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1668241"	166.002588	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"255124"	604.121368	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1227837"	334.068568	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1714410"	334.092093	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1187548"	113.006818	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1651970"	339.047488	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"166488"	617.02464	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"603860"	887.07744	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1087278"	346.97184	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"143365"	309.015958	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"582312"	444.042358	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1071448"	173.989558	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1100522"	348.986392	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1338859"	349.074007	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1012857"	353.113176	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1529890"	354.106808	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"999622"	177.060226	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1600687"	355.021428	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1423066"	385.052938	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1155543"	197.573501	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1706187"	402.079485	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1640745"	407.03488	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1572023"	423.00882	"C10294"	"Aloe-emodin"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"816853"	350.079	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M"	0
"986861"	331.06061	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-H2O-H"	-19.01839
"71821"	232.378724	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M-3H"	-3.021828
"514661"	349.071724	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M-3H"	-3.021828
"889181"	115.685724	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-3H"	-3.021828
"7755"	349.071724	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M-2H"	-2.014552
"445130"	524.111224	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M-2H"	-2.014552
"822935"	174.032224	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-2H"	-2.014552
"85113"	699.150724	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M-H"	-1.007276
"522492"	1049.229724	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M-H"	-1.007276
"904667"	349.071724	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-H"	-1.007276
"53574"	716.177271	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M-2H+NH4"	16.019271
"493135"	1066.256271	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M-2H+NH4"	16.019271
"867044"	366.098271	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-2H+NH4"	16.019271
"34457"	721.132666	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M-2H+Na"	20.974666
"477304"	1071.211666	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M-2H+Na"	20.974666
"852920"	371.053666	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-2H+Na"	20.974666
"1620992"	371.053666	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Na-2H"	20.974666
"102267"	367.060063	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M-H+Cl"	33.962126
"540734"	542.099563	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M-H+Cl"	33.962126
"935341"	192.020563	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-H+Cl"	33.962126
"271712"	735.127402	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+Cl"	34.969402
"660729"	1085.206402	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+Cl"	34.969402
"1273984"	385.048402	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Cl"	34.969402
"30162"	737.106606	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M-2H+K"	36.948606
"470709"	1087.185606	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M-2H+K"	36.948606
"847902"	387.027606	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-2H+K"	36.948606
"1570174"	387.027606	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+K-2H"	36.948606
"957320"	395.077194	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-H+HCOOH"	44.998194
"376135"	745.156201	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+HCOOH-H"	44.998201
"360884"	759.171851	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+Hac-H"	59.013851
"1506793"	409.092851	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Hac-H"	59.013851
"970683"	417.059151	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-H+NaCOOH"	66.980151
"122510"	385.048402	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+2Cl"	69.938804
"559149"	560.087902	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+2Cl"	69.938804
"1027949"	210.008902	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2Cl"	69.938804
"1249710"	428.997885	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Br"	78.918885
"1311066"	431.053872	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Cl+HCOOH"	80.974872
"1335539"	453.035829	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Cl+NaCOOH"	102.956829
"926199"	463.064586	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M-H+CF3COOH"	112.985586
"1303511"	499.041264	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Cl+CF3COOH"	148.962264
"1379973"	315.066324	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H-2H2O"	-35.012676
"1398427"	333.0763	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H-H2O"	-17.0027
"297165"	701.165276	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+H"	1.007276
"691084"	1051.244276	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+H"	1.007276
"1366536"	351.086276	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H"	1.007276
"140968"	351.086276	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+2H"	2.014552
"580567"	526.125776	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+2H"	2.014552
"1052529"	176.046776	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2H"	2.014552
"216170"	234.393276	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+3H"	3.021828
"656095"	351.086276	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+3H"	3.021828
"1172398"	117.700276	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+3H"	3.021828
"427286"	718.191823	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+NH4"	18.033823
"788280"	1068.270823	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+NH4"	18.033823
"1683880"	368.112823	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+NH4"	18.033823
"339452"	359.5995495	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+H+NH4"	19.041099
"731874"	534.6390495	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+H+NH4"	19.041099
"1484600"	184.5600495	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H+NH4"	19.041099
"404377"	723.147218	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+Na"	22.989218
"768660"	1073.226218	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+Na"	22.989218
"1615665"	373.068218	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Na"	22.989218
"323515"	362.077247	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+H+Na"	23.996494
"713748"	537.116747	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+H+Na"	23.996494
"1466472"	187.037747	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H+Na"	23.996494
"1060810"	125.02759	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2H+Na"	25.00377
"1260301"	383.112486	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+CH3OH+H"	33.033486
"378634"	739.121158	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+K"	38.963158
"741696"	1089.200158	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+K"	38.963158
"1540381"	389.042158	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+K"	38.963158
"301288"	370.064217	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+H+K"	39.970434
"694809"	545.103717	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+H+K"	39.970434
"1451909"	195.024717	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H+K"	39.970434
"243791"	742.191826	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+ACN+H"	42.033826
"1218687"	392.112826	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+ACN+H"	42.033826
"1203664"	196.560051	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+ACN+2H"	43.041102
"200910"	745.12916	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+2Na-H"	44.97116
"638283"	1095.20816	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+2Na-H"	44.97116
"1136321"	395.05016	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2Na-H"	44.97116
"178517"	373.068218	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+2Na"	45.978436
"622451"	548.107718	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+2Na"	45.978436
"1116720"	198.028718	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2Na"	45.978436
"1406202"	132.354904	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H+2Na"	46.985712
"1437224"	397.091746	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H+HCOOH"	47.012746
"222909"	378.10124	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+3H2O+2H"	56.04448
"1513888"	411.14379	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+IsoProp+H"	61.06479
"412483"	381.055188	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+Na+K"	61.952376
"776762"	556.094688	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+Na+K"	61.952376
"1671999"	206.015688	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Na+K"	61.952376
"261797"	764.173768	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+ACN+Na"	64.015768
"1227948"	414.094768	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+ACN+Na"	64.015768
"1716833"	414.118293	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+NH4+HCOOH"	64.039293
"1181091"	139.682218	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+3Na"	68.967654
"1650252"	419.073688	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Na+HCOOH"	68.994688
"157724"	777.07704	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+2K-H"	76.91904
"597890"	1127.15604	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+2K-H"	76.91904
"1084462"	426.99804	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2K-H"	76.91904
"144204"	389.042158	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"2M+2K"	77.926316
"582301"	564.081658	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"3M+2K"	77.926316
"1072651"	214.002658	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2K"	77.926316
"1100877"	429.012592	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2K+H"	78.933592
"1339330"	429.100207	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+DMSO+H"	79.021207
"1012967"	433.139376	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2ACN+H"	83.060376
"1530000"	434.133008	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+IsoProp+Na+H"	84.054008
"998638"	217.073326	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+2ACN+2H"	84.067652
"1596423"	435.047628	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+K+HCOOH"	84.968628
"1419894"	465.079138	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+H+CF3COOH"	115.000138
"1154560"	237.586601	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+3ACN+2H"	125.094202
"1711765"	482.105685	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+NH4+CF3COOH"	132.026685
"1640855"	487.06108	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+Na+CF3COOH"	136.98208
"1578693"	503.03502	"C10295"	"Alteichin;Alterperylenol"	"C20H14O6"	"350.079"	"M+K+CF3COOH"	152.95602
"814530"	336.0845	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M"	0
"981503"	317.06611	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-H2O-H"	-19.01839
"66464"	223.049057333333	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M-3H"	-3.021828
"508210"	335.077224	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M-3H"	-3.021828
"889291"	111.020890666667	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-3H"	-3.021828
"5678"	335.077224	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M-2H"	-2.014552
"440501"	503.119474	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M-2H"	-2.014552
"820129"	167.034974	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-2H"	-2.014552
"80120"	671.161724	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M-H"	-1.007276
"523695"	1007.246224	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M-H"	-1.007276
"902590"	335.077224	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-H"	-1.007276
"52591"	688.188271	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M-2H+NH4"	16.019271
"494338"	1024.272771	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M-2H+NH4"	16.019271
"866304"	352.103771	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-2H+NH4"	16.019271
"32015"	693.143666	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M-2H+Na"	20.974666
"474496"	1029.228166	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M-2H+Na"	20.974666
"849380"	357.059166	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-2H+Na"	20.974666
"1619274"	357.059166	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Na-2H"	20.974666
"101284"	353.065563	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M-H+Cl"	33.962126
"539750"	521.107813	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M-H+Cl"	33.962126
"932171"	185.023313	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-H+Cl"	33.962126
"269634"	707.138402	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+Cl"	34.969402
"660594"	1043.222902	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+Cl"	34.969402
"1274457"	371.053902	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Cl"	34.969402
"31375"	709.117606	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M-2H+K"	36.948606
"470455"	1045.202106	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M-2H+K"	36.948606
"847650"	373.033106	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-2H+K"	36.948606
"1570973"	373.033106	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+K-2H"	36.948606
"958245"	381.082694	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-H+HCOOH"	44.998194
"376124"	717.167201	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+HCOOH-H"	44.998201
"360876"	731.182851	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+Hac-H"	59.013851
"1506902"	395.098351	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Hac-H"	59.013851
"971887"	403.064651	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-H+NaCOOH"	66.980151
"121885"	371.053902	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+2Cl"	69.938804
"559259"	539.096152	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+2Cl"	69.938804
"1029152"	203.011652	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2Cl"	69.938804
"1250913"	415.003385	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Br"	78.918885
"1310083"	417.059372	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Cl+HCOOH"	80.974872
"1335402"	439.041329	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Cl+NaCOOH"	102.956829
"925455"	449.070086	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M-H+CF3COOH"	112.985586
"1302893"	485.046764	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Cl+CF3COOH"	148.962264
"1378990"	301.071824	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H-2H2O"	-35.012676
"1398070"	319.0818	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H-H2O"	-17.0027
"298008"	673.176276	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+H"	1.007276
"689692"	1009.260776	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+H"	1.007276
"1365674"	337.091776	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H"	1.007276
"138929"	337.091776	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+2H"	2.014552
"579584"	505.134026	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+2H"	2.014552
"1050935"	169.049526	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2H"	2.014552
"216279"	225.063609333333	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+3H"	3.021828
"655841"	337.091776	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+3H"	3.021828
"1172872"	113.035442666667	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+3H"	3.021828
"426303"	690.202823	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+NH4"	18.033823
"788390"	1026.287323	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+NH4"	18.033823
"1686907"	354.118323	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+NH4"	18.033823
"336282"	345.6050495	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+H+NH4"	19.041099
"731984"	513.6472995	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+H+NH4"	19.041099
"1484710"	177.5627995	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H+NH4"	19.041099
"404487"	695.158218	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+Na"	22.989218
"766584"	1031.242718	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+Na"	22.989218
"1609579"	359.073718	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Na"	22.989218
"322531"	348.082747	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+H+Na"	23.996494
"713858"	516.124997	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+H+Na"	23.996494
"1465489"	180.040497	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H+Na"	23.996494
"1058733"	120.362756666667	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2H+Na"	25.00377
"1258950"	369.117986	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+CH3OH+H"	33.033486
"378987"	711.132158	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+K"	38.963158
"741805"	1047.216658	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+K"	38.963158
"1540284"	375.047658	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+K"	38.963158
"299941"	356.069717	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+H+K"	39.970434
"694919"	524.111967	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+H+K"	39.970434
"1452019"	188.027467	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H+K"	39.970434
"240621"	714.202826	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+ACN+H"	42.033826
"1217704"	378.118326	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+ACN+H"	42.033826
"1200494"	189.562801	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+ACN+2H"	43.041102
"193366"	717.14016	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+2Na-H"	44.97116
"632926"	1053.22466	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+2Na-H"	44.97116
"1133879"	381.05566	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2Na-H"	44.97116
"177534"	359.073718	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+2Na"	45.978436
"618188"	527.115968	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+2Na"	45.978436
"1126432"	191.031468	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2Na"	45.978436
"1407405"	127.690070666667	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H+2Na"	46.985712
"1435144"	383.097246	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H+HCOOH"	47.012746
"225935"	364.10674	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+3H2O+2H"	56.04448
"1512175"	397.14929	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+IsoProp+H"	61.06479
"414780"	367.060688	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+Na+K"	61.952376
"776871"	535.102938	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+Na+K"	61.952376
"1672109"	199.018438	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Na+K"	61.952376
"260814"	736.184768	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+ACN+Na"	64.015768
"1228058"	400.100268	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+ACN+Na"	64.015768
"1714391"	400.123793	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+NH4+HCOOH"	64.039293
"1181201"	135.017384666667	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+3Na"	68.967654
"1649943"	405.079188	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Na+HCOOH"	68.994688
"157834"	749.08804	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+2K-H"	76.91904
"598245"	1085.17254	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+2K-H"	76.91904
"1084569"	413.00354	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2K-H"	76.91904
"143949"	375.047658	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"2M+2K"	77.926316
"582048"	543.089908	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"3M+2K"	77.926316
"1072761"	207.005408	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2K"	77.926316
"1100987"	415.018092	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2K+H"	78.933592
"1335658"	415.105707	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+DMSO+H"	79.021207
"1009796"	419.144876	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2ACN+H"	83.060376
"1530110"	420.138508	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+IsoProp+Na+H"	84.054008
"1002025"	210.076076	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+2ACN+2H"	84.067652
"1596530"	421.053128	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+K+HCOOH"	84.968628
"1420004"	451.084638	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+H+CF3COOH"	115.000138
"1154670"	230.589351	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+3ACN+2H"	125.094202
"1709688"	468.111185	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+NH4+CF3COOH"	132.026685
"1640965"	473.06658	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+Na+CF3COOH"	136.98208
"1578803"	489.04052	"C10296"	"Altersolanol A"	"C16H16O8"	"336.0845"	"M+K+CF3COOH"	152.95602
"814640"	256.0372	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M"	0
"983798"	237.01881	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-H2O-H"	-19.01839
"63657"	169.684190666667	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M-3H"	-3.021828
"507225"	255.029924	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M-3H"	-3.021828
"890494"	84.3384573333333	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-3H"	-3.021828
"5788"	255.029924	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M-2H"	-2.014552
"442069"	383.048524	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M-2H"	-2.014552
"819871"	127.011324	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-2H"	-2.014552
"82048"	511.067124	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M-H"	-1.007276
"524898"	767.104324	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M-H"	-1.007276
"900511"	255.029924	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-H"	-1.007276
"53794"	528.093671	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M-2H+NH4"	16.019271
"494448"	784.130871	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M-2H+NH4"	16.019271
"869695"	272.056471	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-2H+NH4"	16.019271
"33582"	533.049066	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M-2H+Na"	20.974666
"475334"	789.086266	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M-2H+Na"	20.974666
"850944"	277.011866	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-2H+Na"	20.974666
"1620112"	277.011866	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Na-2H"	20.974666
"99207"	273.018263	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M-H+Cl"	33.962126
"536578"	401.036863	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M-H+Cl"	33.962126
"927904"	144.999663	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-H+Cl"	33.962126
"269013"	547.043802	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+Cl"	34.969402
"660705"	803.081002	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+Cl"	34.969402
"1273635"	291.006602	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Cl"	34.969402
"30988"	549.023006	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M-2H+K"	36.948606
"471295"	805.060206	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M-2H+K"	36.948606
"848292"	292.985806	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-2H+K"	36.948606
"1571121"	292.985806	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+K-2H"	36.948606
"958385"	301.035394	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-H+HCOOH"	44.998194
"376233"	557.072601	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+HCOOH-H"	44.998201
"358898"	571.088251	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+Hac-H"	59.013851
"1507012"	315.051051	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Hac-H"	59.013851
"972363"	323.017351	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-H+NaCOOH"	66.980151
"123088"	291.006602	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+2Cl"	69.938804
"565199"	419.025202	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+2Cl"	69.938804
"1035098"	162.988002	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2Cl"	69.938804
"1256779"	334.956085	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Br"	78.918885
"1312380"	337.012072	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Cl+HCOOH"	80.974872
"1325502"	358.994029	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Cl+NaCOOH"	102.956829
"917664"	369.022786	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M-H+CF3COOH"	112.985586
"1300571"	404.999464	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Cl+CF3COOH"	148.962264
"1379829"	221.024524	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H-2H2O"	-35.012676
"1398183"	239.0345	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H-H2O"	-17.0027
"297260"	513.081676	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+H"	1.007276
"687613"	769.118876	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+H"	1.007276
"1365056"	257.044476	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H"	1.007276
"135391"	257.044476	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+2H"	2.014552
"578961"	385.063076	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+2H"	2.014552
"1047032"	129.025876	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2H"	2.014552
"212745"	171.698742666667	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+3H"	3.021828
"653763"	257.044476	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+3H"	3.021828
"1172618"	86.3530093333333	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+3H"	3.021828
"425562"	530.108223	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+NH4"	18.033823
"787408"	786.145423	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+NH4"	18.033823
"1682279"	274.071023	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+NH4"	18.033823
"334202"	265.5577495	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+H+NH4"	19.041099
"728813"	393.5763495	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+H+NH4"	19.041099
"1477526"	137.5391495	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H+NH4"	19.041099
"404597"	535.063618	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+Na"	22.989218
"757580"	791.100818	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+Na"	22.989218
"1604948"	279.026418	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Na"	22.989218
"316077"	268.035447	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+H+Na"	23.996494
"708738"	396.054047	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+H+Na"	23.996494
"1462070"	140.016847	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H+Na"	23.996494
"1052873"	93.6803233333333	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2H+Na"	25.00377
"1258813"	289.070686	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+CH3OH+H"	33.033486
"377432"	551.037558	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+K"	38.963158
"738514"	807.074758	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+K"	38.963158
"1539951"	295.000358	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+K"	38.963158
"298563"	276.022417	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+H+K"	39.970434
"697215"	404.041017	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+H+K"	39.970434
"1448849"	148.003817	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H+K"	39.970434
"237451"	554.108226	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+ACN+H"	42.033826
"1216720"	298.071026	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+ACN+H"	42.033826
"1198417"	149.539151	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+ACN+2H"	43.041102
"193476"	557.04556	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+2Na-H"	44.97116
"633036"	813.08276	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+2Na-H"	44.97116
"1136541"	301.00836	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2Na-H"	44.97116
"175821"	279.026418	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+2Na"	45.978436
"616111"	407.045018	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+2Na"	45.978436
"1121803"	151.007818	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2Na"	45.978436
"1405328"	101.007637333333	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H+2Na"	46.985712
"1431974"	303.049946	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H+HCOOH"	47.012746
"226045"	284.05944	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+3H2O+2H"	56.04448
"1509733"	317.10199	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+IsoProp+H"	61.06479
"414890"	287.013388	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+Na+K"	61.952376
"775888"	415.031988	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+Na+K"	61.952376
"1672219"	158.994788	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Na+K"	61.952376
"259831"	576.090168	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+ACN+Na"	64.015768
"1228168"	320.052968	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+ACN+Na"	64.015768
"1714866"	320.076493	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+NH4+HCOOH"	64.039293
"1181676"	108.334951333333	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+3Na"	68.967654
"1650840"	325.031888	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Na+HCOOH"	68.994688
"157256"	588.99344	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+2K-H"	76.91904
"597992"	845.03064	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+2K-H"	76.91904
"1084313"	332.95624	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2K-H"	76.91904
"142601"	295.000358	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"2M+2K"	77.926316
"582036"	423.018958	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"3M+2K"	77.926316
"1070685"	166.981758	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2K"	77.926316
"1101706"	334.970792	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2K+H"	78.933592
"1335978"	335.058407	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+DMSO+H"	79.021207
"1005737"	339.097576	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2ACN+H"	83.060376
"1531313"	340.091208	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+IsoProp+Na+H"	84.054008
"997763"	170.052426	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+2ACN+2H"	84.067652
"1593360"	341.005828	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+K+HCOOH"	84.968628
"1417199"	371.037338	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+H+CF3COOH"	115.000138
"1152593"	190.565701	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+3ACN+2H"	125.094202
"1706518"	388.063885	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+NH4+CF3COOH"	132.026685
"1641075"	393.01928	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+Na+CF3COOH"	136.98208
"1578913"	408.99322	"C10297"	"Anthragallol"	"C14H8O5"	"256.0372"	"M+K+CF3COOH"	152.95602
"809281"	406.2719	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M"	0
"985001"	387.25351	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-H2O-H"	-19.01839
"64496"	269.840657333333	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M-3H"	-3.021828
"507336"	405.264624	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M-3H"	-3.021828
"889510"	134.416690666667	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-3H"	-3.021828
"5898"	405.264624	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M-2H"	-2.014552
"444366"	608.400574	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M-2H"	-2.014552
"821074"	202.128674	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-2H"	-2.014552
"81065"	811.536524	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M-H"	-1.007276
"523915"	1217.808424	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M-H"	-1.007276
"898435"	405.264624	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-H"	-1.007276
"52810"	828.563071	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M-2H+NH4"	16.019271
"497837"	1234.834971	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M-2H+NH4"	16.019271
"869078"	422.291171	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-2H+NH4"	16.019271
"34423"	833.518466	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M-2H+Na"	20.974666
"475802"	1239.790366	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M-2H+Na"	20.974666
"852514"	427.246566	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-2H+Na"	20.974666
"1622046"	427.246566	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Na-2H"	20.974666
"98220"	423.252963	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M-H+Cl"	33.962126
"536687"	626.388913	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M-H+Cl"	33.962126
"927403"	220.117013	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-H+Cl"	33.962126
"267785"	847.513202	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+Cl"	34.969402
"661299"	1253.785102	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+Cl"	34.969402
"1273340"	441.241302	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Cl"	34.969402
"31361"	849.492406	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M-2H+K"	36.948606
"471233"	1255.764306	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M-2H+K"	36.948606
"848224"	443.220506	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-2H+K"	36.948606
"1570532"	443.220506	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+K-2H"	36.948606
"957563"	451.270094	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-H+HCOOH"	44.998194
"375126"	857.542001	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+HCOOH-H"	44.998201
"359008"	871.557651	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+Hac-H"	59.013851
"1506384"	465.285751	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Hac-H"	59.013851
"963357"	473.252051	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-H+NaCOOH"	66.980151
"118824"	441.241302	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+2Cl"	69.938804
"556196"	644.377252	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+2Cl"	69.938804
"1027183"	238.105352	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2Cl"	69.938804
"1248947"	485.190785	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Br"	78.918885
"1309210"	487.246772	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Cl+HCOOH"	80.974872
"1321239"	509.228729	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Cl+NaCOOH"	102.956829
"916680"	519.257486	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M-H+CF3COOH"	112.985586
"1293387"	555.234164	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Cl+CF3COOH"	148.962264
"1377023"	371.259224	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H-2H2O"	-35.012676
"1397437"	389.2692	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H-H2O"	-17.0027
"296398"	813.551076	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+H"	1.007276
"686629"	1219.822976	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+H"	1.007276
"1366259"	407.279176	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H"	1.007276
"135501"	407.279176	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+2H"	2.014552
"576155"	610.415126	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+2H"	2.014552
"1047871"	204.143226	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2H"	2.014552
"212855"	271.855209333333	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+3H"	3.021828
"653509"	407.279176	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+3H"	3.021828
"1169812"	136.431242666667	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+3H"	3.021828
"425672"	830.577623	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+NH4"	18.033823
"787518"	1236.849523	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+NH4"	18.033823
"1684941"	424.305723	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+NH4"	18.033823
"334312"	415.7924495	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+H+NH4"	19.041099
"727097"	618.9283995	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+H+NH4"	19.041099
"1479095"	212.6564995	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H+NH4"	19.041099
"404707"	835.533018	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+Na"	22.989218
"758055"	1241.804918	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+Na"	22.989218
"1606515"	429.261118	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Na"	22.989218
"316551"	418.270147	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+H+Na"	23.996494
"707633"	621.406097	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+H+Na"	23.996494
"1461695"	215.134197	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H+Na"	23.996494
"1053194"	143.758556666667	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2H+Na"	25.00377
"1258559"	439.305386	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+CH3OH+H"	33.033486
"377504"	851.506958	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+K"	38.963158
"738819"	1257.778858	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+K"	38.963158
"1539978"	445.235058	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+K"	38.963158
"298820"	426.257117	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+H+K"	39.970434
"697325"	629.393067	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+H+K"	39.970434
"1447136"	223.121167	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H+K"	39.970434
"236831"	854.577626	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+ACN+H"	42.033826
"1212456"	448.305726	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+ACN+H"	42.033826
"1199620"	224.656501	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+ACN+2H"	43.041102
"195773"	857.51496	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+2Na-H"	44.97116
"633146"	1263.78686	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+2Na-H"	44.97116
"1136651"	451.24306	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2Na-H"	44.97116
"179941"	429.261118	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+2Na"	45.978436
"618408"	632.397068	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+2Na"	45.978436
"1127379"	226.125168	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2Na"	45.978436
"1405437"	151.085870666667	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H+2Na"	46.985712
"1434272"	453.284646	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H+HCOOH"	47.012746
"222875"	434.29414	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+3H2O+2H"	56.04448
"1510938"	467.33669	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+IsoProp+H"	61.06479
"411719"	437.248088	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+Na+K"	61.952376
"774904"	640.384038	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+Na+K"	61.952376
"1672329"	234.112138	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Na+K"	61.952376
"260670"	876.559568	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+ACN+Na"	64.015768
"1230465"	470.287668	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+ACN+Na"	64.015768
"1715340"	470.311193	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+NH4+HCOOH"	64.039293
"1182515"	158.413184666667	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+3Na"	68.967654
"1654962"	475.266588	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Na+HCOOH"	68.994688
"158542"	889.46284	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+2K-H"	76.91904
"601384"	1295.73474	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+2K-H"	76.91904
"1084718"	483.19094	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2K-H"	76.91904
"141735"	445.235058	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"2M+2K"	77.926316
"581780"	648.371008	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"3M+2K"	77.926316
"1070064"	242.099108	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2K"	77.926316
"1100717"	485.205492	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2K+H"	78.933592
"1337471"	485.293107	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+DMSO+H"	79.021207
"1012198"	489.332276	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2ACN+H"	83.060376
"1533613"	490.325908	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+IsoProp+Na+H"	84.054008
"1002248"	245.169776	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+2ACN+2H"	84.067652
"1600032"	491.240528	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+K+HCOOH"	84.968628
"1421318"	521.272038	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+H+CF3COOH"	115.000138
"1150515"	265.683051	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+3ACN+2H"	125.094202
"1702252"	538.298585	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+NH4+CF3COOH"	132.026685
"1641185"	543.25398	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+Na+CF3COOH"	136.98208
"1579023"	559.22792	"C10298"	"Ardisianone"	"C24H38O5"	"406.2719"	"M+K+CF3COOH"	152.95602
"812671"	397.2101	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M"	0
"988027"	378.19171	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-H2O-H"	-19.01839
"70073"	263.799457333333	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M-3H"	-3.021828
"512913"	396.202824	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M-3H"	-3.021828
"891807"	131.396090666667	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-3H"	-3.021828
"11475"	396.202824	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M-2H"	-2.014552
"445570"	594.807874	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M-2H"	-2.014552
"822278"	197.597774	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-2H"	-2.014552
"86642"	793.412924	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M-H"	-1.007276
"524025"	1190.623024	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M-H"	-1.007276
"897087"	396.202824	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-H"	-1.007276
"59482"	810.439471	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M-2H+NH4"	16.019271
"496855"	1207.649571	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M-2H+NH4"	16.019271
"871375"	413.229371	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-2H+NH4"	16.019271
"35262"	815.394866	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M-2H+Na"	20.974666
"474459"	1212.604966	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M-2H+Na"	20.974666
"853353"	418.184766	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-2H+Na"	20.974666
"1622889"	418.184766	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Na-2H"	20.974666
"100518"	414.191163	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M-H+Cl"	33.962126
"535705"	612.796213	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M-H+Cl"	33.962126
"927636"	215.586113	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-H+Cl"	33.962126
"268380"	829.389602	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+Cl"	34.969402
"662019"	1226.599702	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+Cl"	34.969402
"1273572"	432.179502	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Cl"	34.969402
"30894"	831.368806	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M-2H+K"	36.948606
"470773"	1228.578906	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M-2H+K"	36.948606
"847931"	434.158706	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-2H+K"	36.948606
"1570968"	434.158706	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+K-2H"	36.948606
"957846"	442.208294	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-H+HCOOH"	44.998194
"375236"	839.418401	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+HCOOH-H"	44.998201
"360211"	853.434051	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+Hac-H"	59.013851
"1507835"	456.223951	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Hac-H"	59.013851
"972945"	464.190251	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-H+NaCOOH"	66.980151
"123678"	432.179502	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+2Cl"	69.938804
"564329"	630.784552	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+2Cl"	69.938804
"1036412"	233.574452	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2Cl"	69.938804
"1256908"	476.128985	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Br"	78.918885
"1319404"	478.184972	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Cl+HCOOH"	80.974872
"1335445"	500.166929	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Cl+NaCOOH"	102.956829
"920071"	510.195686	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M-H+CF3COOH"	112.985586
"1296778"	546.172364	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Cl+CF3COOH"	148.962264
"1377133"	362.197424	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H-2H2O"	-35.012676
"1386974"	380.2074	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H-H2O"	-17.0027
"297603"	795.427476	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+H"	1.007276
"684552"	1192.637576	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+H"	1.007276
"1363817"	398.217376	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H"	1.007276
"135976"	398.217376	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+2H"	2.014552
"577360"	596.822426	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+2H"	2.014552
"1047616"	199.612326	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2H"	2.014552
"213329"	265.814009333333	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+3H"	3.021828
"655076"	398.217376	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+3H"	3.021828
"1174661"	133.410642666667	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+3H"	3.021828
"432100"	812.454023	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+NH4"	18.033823
"790908"	1209.664123	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+NH4"	18.033823
"1682864"	415.243923	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+NH4"	18.033823
"336609"	406.7306495	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+H+NH4"	19.041099
"729030"	605.3356995	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+H+NH4"	19.041099
"1481759"	208.1255995	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H+NH4"	19.041099
"401537"	817.409418	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+Na"	22.989218
"760353"	1214.619518	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+Na"	22.989218
"1607721"	420.199318	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Na"	22.989218
"318486"	409.208347	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+H+Na"	23.996494
"710904"	607.813397	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+H+Na"	23.996494
"1464723"	210.603297	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H+Na"	23.996494
"1056875"	140.737956666667	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2H+Na"	25.00377
"1262924"	430.243586	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+CH3OH+H"	33.033486
"377775"	833.383358	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+K"	38.963158
"739221"	1230.593458	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+K"	38.963158
"1540413"	436.173258	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+K"	38.963158
"301000"	417.195317	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+H+K"	39.970434
"697435"	615.800367	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+H+K"	39.970434
"1452350"	218.590267	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H+K"	39.970434
"243138"	836.454026	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+ACN+H"	42.033826
"1218035"	439.243926	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+ACN+H"	42.033826
"1201918"	220.125601	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+ACN+2H"	43.041102
"194790"	839.39136	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+2Na-H"	44.97116
"632163"	1236.60146	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+2Na-H"	44.97116
"1135668"	442.18126	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2Na-H"	44.97116
"181144"	420.199318	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+2Na"	45.978436
"625078"	618.804368	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+2Na"	45.978436
"1127489"	221.594268	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2Na"	45.978436
"1409921"	148.065270666667	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H+2Na"	46.985712
"1437662"	444.222846	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H+HCOOH"	47.012746
"227359"	425.23234	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+3H2O+2H"	56.04448
"1514328"	458.27489	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+IsoProp+H"	61.06479
"412922"	428.186288	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+Na+K"	61.952376
"779388"	626.791338	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+Na+K"	61.952376
"1676813"	229.581238	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Na+K"	61.952376
"261143"	858.435968	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+ACN+Na"	64.015768
"1229482"	461.225868	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+ACN+Na"	64.015768
"1715085"	461.249393	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+NH4+HCOOH"	64.039293
"1185906"	155.392584666667	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+3Na"	68.967654
"1651792"	466.204788	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Na+HCOOH"	68.994688
"158652"	871.33924	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+2K-H"	76.91904
"600401"	1268.54934	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+2K-H"	76.91904
"1084342"	474.12914	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2K-H"	76.91904
"141846"	436.173258	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"2M+2K"	77.926316
"582500"	634.778308	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"3M+2K"	77.926316
"1069445"	237.568208	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2K"	77.926316
"1100466"	476.143692	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2K+H"	78.933592
"1336120"	476.231307	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+DMSO+H"	79.021207
"1010122"	480.270476	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2ACN+H"	83.060376
"1531534"	481.264108	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+IsoProp+Na+H"	84.054008
"997984"	240.638876	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+2ACN+2H"	84.067652
"1600142"	482.178728	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+K+HCOOH"	84.968628
"1419243"	512.210238	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+H+CF3COOH"	115.000138
"1152812"	261.152151	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+3ACN+2H"	125.094202
"1701269"	529.236785	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+NH4+CF3COOH"	132.026685
"1635827"	534.19218	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+Na+CF3COOH"	136.98208
"1573665"	550.16612	"C10299"	"Echimidine;7-Angelyl-9-echimidinylretronecine"	"C20H31NO7"	"397.2101"	"M+K+CF3COOH"	152.95602
"809501"	218.0579	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M"	0
"986314"	199.03951	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-H2O-H"	-19.01839
"66903"	144.364657333333	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M-3H"	-3.021828
"509743"	217.050624	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M-3H"	-3.021828
"889730"	71.6786906666667	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-3H"	-3.021828
"7211"	217.050624	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M-2H"	-2.014552
"445678"	326.079574	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M-2H"	-2.014552
"820567"	108.021674	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-2H"	-2.014552
"85661"	435.108524	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M-H"	-1.007276
"525228"	653.166424	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M-H"	-1.007276
"901937"	217.050624	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-H"	-1.007276
"59592"	452.135071	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M-2H+NH4"	16.019271
"496965"	670.192971	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M-2H+NH4"	16.019271
"872578"	234.077171	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-2H+NH4"	16.019271
"37198"	457.090466	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M-2H+Na"	20.974666
"474935"	675.148366	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M-2H+Na"	20.974666
"852373"	239.032566	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-2H+Na"	20.974666
"1622998"	239.032566	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Na-2H"	20.974666
"96617"	235.038963	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M-H+Cl"	33.962126
"535568"	344.067913	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M-H+Cl"	33.962126
"930052"	126.010013	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-H+Cl"	33.962126
"268003"	471.085202	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+Cl"	34.969402
"661759"	689.143102	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+Cl"	34.969402
"1275991"	253.027302	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Cl"	34.969402
"30223"	473.064406	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M-2H+K"	36.948606
"471129"	691.122306	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M-2H+K"	36.948606
"848156"	255.006506	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-2H+K"	36.948606
"1571135"	255.006506	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+K-2H"	36.948606
"957865"	263.056094	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-H+HCOOH"	44.998194
"376320"	481.114001	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+HCOOH-H"	44.998201
"359962"	495.129651	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+Hac-H"	59.013851
"1506123"	277.071751	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Hac-H"	59.013851
"967950"	285.038051	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-H+NaCOOH"	66.980151
"123058"	253.027302	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+2Cl"	69.938804
"562618"	362.056252	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+2Cl"	69.938804
"1036725"	143.998352	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2Cl"	69.938804
"1256099"	296.976785	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Br"	78.918885
"1319554"	299.032772	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Cl+HCOOH"	80.974872
"1333486"	321.014729	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Cl+NaCOOH"	102.956829
"926016"	331.043486	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M-H+CF3COOH"	112.985586
"1293605"	367.020164	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Cl+CF3COOH"	148.962264
"1377243"	183.045224	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H-2H2O"	-35.012676
"1390364"	201.0552	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H-H2O"	-17.0027
"296979"	437.123076	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+H"	1.007276
"684662"	655.180976	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+H"	1.007276
"1364292"	219.065176	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H"	1.007276
"136086"	219.065176	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+2H"	2.014552
"577470"	328.094126	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+2H"	2.014552
"1049185"	110.036226	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2H"	2.014552
"213439"	146.379209333333	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+3H"	3.021828
"654093"	219.065176	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+3H"	3.021828
"1173311"	73.6932426666667	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+3H"	3.021828
"428929"	454.149623	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+NH4"	18.033823
"791018"	672.207523	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+NH4"	18.033823
"1682121"	236.091723	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+NH4"	18.033823
"334532"	227.5784495	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+H+NH4"	19.041099
"726953"	336.6073995	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+H+NH4"	19.041099
"1484056"	118.5494995	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H+NH4"	19.041099
"408208"	459.105018	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+Na"	22.989218
"761556"	677.162918	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+Na"	22.989218
"1608560"	241.047118	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Na"	22.989218
"319689"	230.056147	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+H+Na"	23.996494
"711016"	339.085097	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+H+Na"	23.996494
"1463013"	121.027197	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H+Na"	23.996494
"1056985"	81.0205566666667	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2H+Na"	25.00377
"1263036"	251.091386	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+CH3OH+H"	33.033486
"378090"	475.078958	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+K"	38.963158
"739330"	693.136858	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+K"	38.963158
"1540410"	257.021058	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+K"	38.963158
"300017"	238.043117	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+H+K"	39.970434
"697545"	347.072067	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+H+K"	39.970434
"1452460"	129.014167	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H+K"	39.970434
"244341"	478.149626	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+ACN+H"	42.033826
"1218143"	260.091726	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+ACN+H"	42.033826
"1203121"	130.549501	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+ACN+2H"	43.041102
"191620"	481.08696	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+2Na-H"	44.97116
"636646"	699.14486	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+2Na-H"	44.97116
"1136871"	263.02906	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2Na-H"	44.97116
"177974"	241.047118	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+2Na"	45.978436
"625918"	350.076068	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+2Na"	45.978436
"1129423"	132.018168	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2Na"	45.978436
"1411127"	88.3478706666667	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H+2Na"	46.985712
"1443606"	265.070646	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H+HCOOH"	47.012746
"232935"	246.08014	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+3H2O+2H"	56.04448
"1519905"	279.12269	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+IsoProp+H"	61.06479
"416312"	249.034088	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+Na+K"	61.952376
"779498"	358.063038	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+Na+K"	61.952376
"1676922"	140.005138	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Na+K"	61.952376
"261253"	500.131568	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+ACN+Na"	64.015768
"1231780"	282.073668	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+ACN+Na"	64.015768
"1715196"	282.097193	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+NH4+HCOOH"	64.039293
"1184923"	95.6751846666667	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+3Na"	68.967654
"1652632"	287.052588	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Na+HCOOH"	68.994688
"159490"	513.03484	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+2K-H"	76.91904
"602333"	731.09274	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+2K-H"	76.91904
"1086112"	294.97694	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2K-H"	76.91904
"143659"	257.021058	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"2M+2K"	77.926316
"582975"	366.050008	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"3M+2K"	77.926316
"1069795"	147.992108	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2K"	77.926316
"1101304"	296.991492	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2K+H"	78.933592
"1336959"	297.079107	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+DMSO+H"	79.021207
"1006946"	301.118276	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2ACN+H"	83.060376
"1532737"	302.111908	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+IsoProp+Na+H"	84.054008
"998093"	151.062776	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+2ACN+2H"	84.067652
"1600252"	303.026528	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+K+HCOOH"	84.968628
"1419352"	333.058038	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+H+CF3COOH"	115.000138
"1151829"	171.576051	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+3ACN+2H"	125.094202
"1706847"	350.084585	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+NH4+CF3COOH"	132.026685
"1638124"	355.03998	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+Na+CF3COOH"	136.98208
"1579243"	371.01392	"C10300"	"Aristolindiquinone"	"C12H10O4"	"218.0579"	"M+K+CF3COOH"	152.95602
"809611"	329.1838	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M"	0
"986424"	310.16541	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-H2O-H"	-19.01839
"71387"	218.448590666667	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M-3H"	-3.021828
"515320"	328.176524	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M-3H"	-3.021828
"888747"	108.720657333333	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-3H"	-3.021828
"7321"	328.176524	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M-2H"	-2.014552
"449071"	492.768424	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M-2H"	-2.014552
"823594"	163.584624	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-2H"	-2.014552
"84677"	657.360324	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M-H"	-1.007276
"529713"	986.544124	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M-H"	-1.007276
"905327"	328.176524	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-H"	-1.007276
"59581"	674.386871	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M-2H+NH4"	16.019271
"497075"	1003.570671	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M-2H+NH4"	16.019271
"870502"	345.203071	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-2H+NH4"	16.019271
"39497"	679.342266	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M-2H+Na"	20.974666
"476140"	1008.526066	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M-2H+Na"	20.974666
"854669"	350.158466	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-2H+Na"	20.974666
"1623473"	350.158466	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Na-2H"	20.974666
"99638"	346.164863	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M-H+Cl"	33.962126
"539563"	510.756763	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M-H+Cl"	33.962126
"929073"	181.572963	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-H+Cl"	33.962126
"268722"	693.337002	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+Cl"	34.969402
"662604"	1022.520802	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+Cl"	34.969402
"1276101"	364.153202	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Cl"	34.969402
"31309"	695.316206	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M-2H+K"	36.948606
"471079"	1024.500006	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M-2H+K"	36.948606
"848379"	366.132406	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-2H+K"	36.948606
"1571035"	366.132406	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+K-2H"	36.948606
"957854"	374.181994	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-H+HCOOH"	44.998194
"375459"	703.365801	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+HCOOH-H"	44.998201
"360437"	717.381451	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+Hac-H"	59.013851
"1506596"	388.197651	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Hac-H"	59.013851
"972075"	396.163951	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-H+NaCOOH"	66.980151
"124257"	364.153202	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+2Cl"	69.938804
"564992"	528.745102	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+2Cl"	69.938804
"1036510"	199.561302	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2Cl"	69.938804
"1256777"	408.102685	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Br"	78.918885
"1317556"	410.158672	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Cl+HCOOH"	80.974872
"1334689"	432.140629	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Cl+NaCOOH"	102.956829
"925033"	442.169386	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M-H+CF3COOH"	112.985586
"1298091"	478.146064	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Cl+CF3COOH"	148.962264
"1380266"	294.171124	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H-2H2O"	-35.012676
"1390474"	312.1811	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H-H2O"	-17.0027
"291253"	659.374876	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+H"	1.007276
"686961"	988.558676	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+H"	1.007276
"1362216"	330.191076	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H"	1.007276
"138384"	330.191076	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+2H"	2.014552
"574665"	494.782976	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+2H"	2.014552
"1048930"	165.599176	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2H"	2.014552
"216831"	220.463142666667	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+3H"	3.021828
"656390"	330.191076	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+3H"	3.021828
"1174151"	110.735209333333	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+3H"	3.021828
"433413"	676.401423	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+NH4"	18.033823
"791128"	1005.585223	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+NH4"	18.033823
"1685271"	347.217623	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+NH4"	18.033823
"336829"	338.7043495	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+H+NH4"	19.041099
"729250"	503.2962495	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+H+NH4"	19.041099
"1481611"	174.1124495	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H+NH4"	19.041099
"407225"	681.356818	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+Na"	22.989218
"766040"	1010.540618	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+Na"	22.989218
"1610857"	352.173018	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Na"	22.989218
"320893"	341.182047	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+H+Na"	23.996494
"714406"	505.773947	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+H+Na"	23.996494
"1464945"	176.590147	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H+Na"	23.996494
"1061469"	118.062523333333	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2H+Na"	25.00377
"1265332"	362.217286	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+CH3OH+H"	33.033486
"381727"	697.330758	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+K"	38.963158
"740536"	1026.514558	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+K"	38.963158
"1542952"	368.146958	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+K"	38.963158
"305229"	349.169017	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+H+K"	39.970434
"704217"	513.760917	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+H+K"	39.970434
"1454756"	184.577117	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H+K"	39.970434
"245545"	700.401426	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+ACN+H"	42.033826
"1219346"	371.217626	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+ACN+H"	42.033826
"1203232"	186.112451	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+ACN+2H"	43.041102
"196103"	703.33876	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+2Na-H"	44.97116
"636756"	1032.52256	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+2Na-H"	44.97116
"1140261"	374.15496	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2Na-H"	44.97116
"178084"	352.173018	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+2Na"	45.978436
"627121"	516.764918	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+2Na"	45.978436
"1129169"	187.581118	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2Na"	45.978436
"1413059"	125.389837333333	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H+2Na"	46.985712
"1444446"	376.196546	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H+HCOOH"	47.012746
"235589"	357.20604	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+3H2O+2H"	56.04448
"1520015"	390.24859	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+IsoProp+H"	61.06479
"419703"	360.159988	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+Na+K"	61.952376
"782523"	524.751888	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+Na+K"	61.952376
"1678491"	195.568088	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Na+K"	61.952376
"261363"	722.383368	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+ACN+Na"	64.015768
"1232982"	393.199568	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+ACN+Na"	64.015768
"1718585"	393.223093	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+NH4+HCOOH"	64.039293
"1189407"	132.717151333333	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+3Na"	68.967654
"1658205"	398.178488	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Na+HCOOH"	68.994688
"160695"	735.28664	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+2K-H"	76.91904
"602443"	1064.47044	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+2K-H"	76.91904
"1086952"	406.10284	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2K-H"	76.91904
"144134"	368.146958	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"2M+2K"	77.926316
"584784"	532.738858	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"3M+2K"	77.926316
"1070757"	203.555058	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2K"	77.926316
"1102265"	408.117392	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2K+H"	78.933592
"1337798"	408.205007	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+DMSO+H"	79.021207
"1007785"	412.244176	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2ACN+H"	83.060376
"1536127"	413.237808	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+IsoProp+Na+H"	84.054008
"1001483"	206.625726	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+2ACN+2H"	84.067652
"1597081"	414.152428	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+K+HCOOH"	84.968628
"1419462"	444.183938	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+H+CF3COOH"	115.000138
"1156313"	227.139001	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+3ACN+2H"	125.094202
"1706958"	461.210485	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+NH4+CF3COOH"	132.026685
"1641515"	466.16588	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+Na+CF3COOH"	136.98208
"1579353"	482.13982	"C10301"	"Europine;9-Lasiocarpylheliotridine"	"C16H27NO6"	"329.1838"	"M+K+CF3COOH"	152.95602
"809721"	302.1518	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M"	0
"985441"	283.13341	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-H2O-H"	-19.01839
"68217"	200.427257333333	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M-3H"	-3.021828
"514337"	301.144524	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M-3H"	-3.021828
"887764"	99.7099906666667	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-3H"	-3.021828
"5244"	301.144524	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M-2H"	-2.014552
"443714"	452.220424	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M-2H"	-2.014552
"821516"	150.068624	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-2H"	-2.014552
"79686"	603.296324	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M-H"	-1.007276
"533103"	905.448124	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M-H"	-1.007276
"907624"	301.144524	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-H"	-1.007276
"59812"	620.322871	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M-2H+NH4"	16.019271
"499372"	922.474671	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M-2H+NH4"	16.019271
"869519"	318.171071	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-2H+NH4"	16.019271
"37420"	625.278266	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M-2H+Na"	20.974666
"475157"	927.430066	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M-2H+Na"	20.974666
"852593"	323.126466	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-2H+Na"	20.974666
"1623220"	323.126466	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Na-2H"	20.974666
"96104"	319.132863	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M-H+Cl"	33.962126
"538215"	470.208763	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M-H+Cl"	33.962126
"928819"	168.056963	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-H+Cl"	33.962126
"268101"	639.273002	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+Cl"	34.969402
"662714"	941.424802	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+Cl"	34.969402
"1276211"	337.121202	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Cl"	34.969402
"31329"	641.252206	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M-2H+K"	36.948606
"471328"	943.404006	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M-2H+K"	36.948606
"848502"	339.100406	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-2H+K"	36.948606
"1571141"	339.100406	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+K-2H"	36.948606
"957355"	347.149994	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-H+HCOOH"	44.998194
"375687"	649.301801	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+HCOOH-H"	44.998201
"359453"	663.317451	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+Hac-H"	59.013851
"1507065"	361.165651	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Hac-H"	59.013851
"972541"	369.131951	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-H+NaCOOH"	66.980151
"123639"	337.121202	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+2Cl"	69.938804
"564289"	488.197102	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+2Cl"	69.938804
"1035642"	186.045302	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2Cl"	69.938804
"1257008"	381.070685	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Br"	78.918885
"1318031"	383.126672	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Cl+HCOOH"	80.974872
"1333341"	405.108629	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Cl+NaCOOH"	102.956829
"926712"	415.137386	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M-H+CF3COOH"	112.985586
"1301119"	451.114064	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Cl+CF3COOH"	148.962264
"1380740"	267.139124	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H-2H2O"	-35.012676
"1390584"	285.1491	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H-H2O"	-17.0027
"294643"	605.310876	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+H"	1.007276
"687068"	907.462676	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+H"	1.007276
"1364512"	303.159076	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H"	1.007276
"138129"	303.159076	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+2H"	2.014552
"575868"	454.234976	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+2H"	2.014552
"1049040"	152.083176	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2H"	2.014552
"218035"	202.441809333333	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+3H"	3.021828
"657233"	303.159076	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+3H"	3.021828
"1173533"	101.724542666667	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+3H"	3.021828
"433524"	622.337423	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+NH4"	18.033823
"790145"	924.489223	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+NH4"	18.033823
"1684288"	320.185623	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+NH4"	18.033823
"333659"	311.6723495	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+H+NH4"	19.041099
"727173"	462.7482495	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+H+NH4"	19.041099
"1482086"	160.5964495	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H+NH4"	19.041099
"407335"	627.292818	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+Na"	22.989218
"767243"	929.444618	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+Na"	22.989218
"1612062"	325.141018	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Na"	22.989218
"321004"	314.150047	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+H+Na"	23.996494
"711236"	465.225947	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+H+Na"	23.996494
"1465055"	163.074147	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H+Na"	23.996494
"1057206"	109.051856666667	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2H+Na"	25.00377
"1261798"	335.185286	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+CH3OH+H"	33.033486
"382929"	643.266758	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+K"	38.963158
"742833"	945.418558	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+K"	38.963158
"1543792"	341.114958	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+K"	38.963158
"303153"	322.137017	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+H+K"	39.970434
"701047"	473.212917	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+H+K"	39.970434
"1453773"	171.061117	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H+K"	39.970434
"243467"	646.337426	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+ACN+H"	42.033826
"1219456"	344.185626	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+ACN+H"	42.033826
"1204433"	172.596451	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+ACN+2H"	43.041102
"195120"	649.27476	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+2Na-H"	44.97116
"636866"	951.42656	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+2Na-H"	44.97116
"1139278"	347.12296	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2Na-H"	44.97116
"185485"	325.141018	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+2Na"	45.978436
"626504"	476.216918	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+2Na"	45.978436
"1130374"	174.065118	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2Na"	45.978436
"1413453"	116.379170666667	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H+2Na"	46.985712
"1443464"	349.164546	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H+HCOOH"	47.012746
"235509"	330.17404	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+3H2O+2H"	56.04448
"1521948"	363.21659	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+IsoProp+H"	61.06479
"423093"	333.127988	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+Na+K"	61.952376
"784091"	484.203888	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+Na+K"	61.952376
"1679329"	182.052088	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Na+K"	61.952376
"266212"	668.319368	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+ACN+Na"	64.015768
"1234186"	366.167568	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+ACN+Na"	64.015768
"1717966"	366.191093	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+NH4+HCOOH"	64.039293
"1188424"	123.706484666667	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+3Na"	68.967654
"1660502"	371.146488	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Na+HCOOH"	68.994688
"161897"	681.22264	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+2K-H"	76.91904
"602553"	983.37444	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+2K-H"	76.91904
"1087062"	379.07084	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2K-H"	76.91904
"144606"	341.114958	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"2M+2K"	77.926316
"585623"	492.190858	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"3M+2K"	77.926316
"1072324"	190.039058	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2K"	77.926316
"1102252"	381.085392	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2K+H"	78.933592
"1337910"	381.173007	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+DMSO+H"	79.021207
"1006801"	385.212176	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2ACN+H"	83.060376
"1529674"	386.205808	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+IsoProp+Na+H"	84.054008
"1000500"	193.109726	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+2ACN+2H"	84.067652
"1596097"	387.120428	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+K+HCOOH"	84.968628
"1419572"	417.151938	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+H+CF3COOH"	115.000138
"1157516"	213.623001	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+3ACN+2H"	125.094202
"1710348"	434.178485	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+NH4+CF3COOH"	132.026685
"1641625"	439.13388	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+Na+CF3COOH"	136.98208
"1580556"	455.10782	"C10302"	"Arnebinone"	"C18H22O4"	"302.1518"	"M+K+CF3COOH"	152.95602
"809831"	492.1268	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M"	0
"985551"	473.10841	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-H2O-H"	-19.01839
"68327"	327.077257333333	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M-3H"	-3.021828
"514447"	491.119524	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M-3H"	-3.021828
"888968"	163.034990666667	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-3H"	-3.021828
"7542"	491.119524	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M-2H"	-2.014552
"443824"	737.182924	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M-2H"	-2.014552
"825998"	245.056124	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-2H"	-2.014552
"82712"	983.246324	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M-H"	-1.007276
"532728"	1475.373124	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M-H"	-1.007276
"907734"	491.119524	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-H"	-1.007276
"61260"	1000.272871	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M-2H+NH4"	16.019271
"497295"	1492.399671	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M-2H+NH4"	16.019271
"869629"	508.146071	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-2H+NH4"	16.019271
"38623"	1005.228266	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M-2H+Na"	20.974666
"475267"	1497.355066	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M-2H+Na"	20.974666
"852703"	513.101466	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-2H+Na"	20.974666
"1624423"	513.101466	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Na-2H"	20.974666
"95483"	509.107863	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M-H+Cl"	33.962126
"536867"	755.171263	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M-H+Cl"	33.962126
"927834"	263.044463	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-H+Cl"	33.962126
"267558"	1019.223002	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+Cl"	34.969402
"662824"	1511.349802	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+Cl"	34.969402
"1275228"	527.096202	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Cl"	34.969402
"31135"	1021.202206	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M-2H+K"	36.948606
"471096"	1513.329006	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M-2H+K"	36.948606
"848167"	529.075406	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-2H+K"	36.948606
"1571236"	529.075406	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+K-2H"	36.948606
"957708"	537.124994	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-H+HCOOH"	44.998194
"376039"	1029.251801	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+HCOOH-H"	44.998201
"359563"	1043.267451	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+Hac-H"	59.013851
"1505842"	551.140651	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Hac-H"	59.013851
"971925"	559.106951	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-H+NaCOOH"	66.980151
"121561"	527.096202	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+2Cl"	69.938804
"562942"	773.159602	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+2Cl"	69.938804
"1035388"	281.032802	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2Cl"	69.938804
"1256997"	571.045685	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Br"	78.918885
"1317777"	573.101672	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Cl+HCOOH"	80.974872
"1333087"	595.083629	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Cl+NaCOOH"	102.956829
"925605"	605.112386	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M-H+CF3COOH"	112.985586
"1301229"	641.089064	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Cl+CF3COOH"	148.962264
"1380729"	457.114124	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H-2H2O"	-35.012676
"1390694"	475.1241	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H-H2O"	-17.0027
"294753"	985.260876	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+H"	1.007276
"687178"	1477.387676	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+H"	1.007276
"1362432"	493.134076	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H"	1.007276
"138603"	493.134076	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+2H"	2.014552
"574885"	739.197476	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+2H"	2.014552
"1048057"	247.070676	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2H"	2.014552
"218145"	329.091809333333	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+3H"	3.021828
"655519"	493.134076	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+3H"	3.021828
"1172550"	165.049542666667	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+3H"	3.021828
"433634"	1002.287423	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+NH4"	18.033823
"793535"	1494.414223	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+NH4"	18.033823
"1687678"	510.160623	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+NH4"	18.033823
"330974"	501.6473495	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+H+NH4"	19.041099
"726190"	747.7107495	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+H+NH4"	19.041099
"1481103"	255.5839495	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H+NH4"	19.041099
"406352"	1007.242818	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+Na"	22.989218
"761885"	1499.369618	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+Na"	22.989218
"1612172"	515.116018	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Na"	22.989218
"320020"	504.125047	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+H+Na"	23.996494
"711710"	750.188447	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+H+Na"	23.996494
"1462611"	258.061647	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H+Na"	23.996494
"1058044"	172.376856666667	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2H+Na"	25.00377
"1260450"	525.160286	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+CH3OH+H"	33.033486
"380853"	1023.216758	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+K"	38.963158
"742943"	1515.343558	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+K"	38.963158
"1543902"	531.089958	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+K"	38.963158
"301442"	512.112017	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+H+K"	39.970434
"701157"	758.175417	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+H+K"	39.970434
"1453883"	266.048617	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H+K"	39.970434
"241390"	1026.287426	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+ACN+H"	42.033826
"1217379"	534.160626	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+ACN+H"	42.033826
"1203450"	267.583951	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+ACN+2H"	43.041102
"192678"	1029.22476	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+2Na-H"	44.97116
"634790"	1521.35156	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+2Na-H"	44.97116
"1138295"	537.09796	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2Na-H"	44.97116
"183409"	515.116018	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+2Na"	45.978436
"624427"	761.179418	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+2Na"	45.978436
"1129755"	269.052618	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2Na"	45.978436
"1412550"	179.704170666667	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H+2Na"	46.985712
"1443574"	539.139546	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H+HCOOH"	47.012746
"234362"	520.14904	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+3H2O+2H"	56.04448
"1522787"	553.19159	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+IsoProp+H"	61.06479
"422839"	523.102988	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+Na+K"	61.952376
"783474"	769.166388	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+Na+K"	61.952376
"1677982"	277.039588	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Na+K"	61.952376
"264865"	1048.269368	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+ACN+Na"	64.015768
"1232108"	556.142568	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+ACN+Na"	64.015768
"1717347"	556.166093	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+NH4+HCOOH"	64.039293
"1187440"	187.031484666667	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+3Na"	68.967654
"1663893"	561.121488	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Na+HCOOH"	68.994688
"160549"	1061.17264	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+2K-H"	76.91904
"603759"	1553.29944	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+2K-H"	76.91904
"1087903"	569.04584	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2K-H"	76.91904
"143258"	531.089958	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"2M+2K"	77.926316
"585004"	777.153358	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"3M+2K"	77.926316
"1071705"	285.026558	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2K"	77.926316
"1101391"	571.060392	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2K+H"	78.933592
"1337291"	571.148007	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+DMSO+H"	79.021207
"1006790"	575.187176	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2ACN+H"	83.060376
"1527598"	576.180808	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+IsoProp+Na+H"	84.054008
"992583"	288.097226	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+2ACN+2H"	84.067652
"1595112"	577.095428	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+K+HCOOH"	84.968628
"1419682"	607.126938	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+H+CF3COOH"	115.000138
"1157626"	308.610501	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+3ACN+2H"	125.094202
"1710458"	624.153485	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+NH4+CF3COOH"	132.026685
"1638455"	629.10888	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+Na+CF3COOH"	136.98208
"1580666"	645.08282	"C10303"	"Aurantio-obtusin beta-D-glucoside"	"C23H24O12"	"492.1268"	"M+K+CF3COOH"	152.95602
"809941"	309.1576	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M"	0
"985661"	290.13921	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-H2O-H"	-19.01839
"68437"	205.097790666667	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M-3H"	-3.021828
"515650"	308.150324	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M-3H"	-3.021828
"889078"	102.045257333333	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-3H"	-3.021828
"4372"	308.150324	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M-2H"	-2.014552
"442841"	462.729124	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M-2H"	-2.014552
"822828"	153.571524	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-2H"	-2.014552
"83182"	617.307924	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M-H"	-1.007276
"531746"	926.465524	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M-H"	-1.007276
"904564"	308.150324	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-H"	-1.007276
"59671"	634.334471	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M-2H+NH4"	16.019271
"497405"	943.492071	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M-2H+NH4"	16.019271
"870832"	325.176871	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-2H+NH4"	16.019271
"37640"	639.289866	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M-2H+Na"	20.974666
"473920"	948.447466	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M-2H+Na"	20.974666
"852813"	330.132266	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-2H+Na"	20.974666
"1625627"	330.132266	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Na-2H"	20.974666
"95230"	326.138663	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M-H+Cl"	33.962126
"535514"	480.717463	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M-H+Cl"	33.962126
"928675"	171.559863	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-H+Cl"	33.962126
"267305"	653.284602	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+Cl"	34.969402
"661841"	962.442202	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+Cl"	34.969402
"1273148"	344.127002	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Cl"	34.969402
"30834"	655.263806	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M-2H+K"	36.948606
"470471"	964.421406	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M-2H+K"	36.948606
"847184"	346.106206	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-2H+K"	36.948606
"1571152"	346.106206	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+K-2H"	36.948606
"958304"	354.155794	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-H+HCOOH"	44.998194
"374571"	663.313401	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+HCOOH-H"	44.998201
"358213"	677.329051	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+Hac-H"	59.013851
"1506319"	368.171451	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Hac-H"	59.013851
"970939"	376.137751	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-H+NaCOOH"	66.980151
"122038"	344.127002	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+2Cl"	69.938804
"561595"	498.705802	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+2Cl"	69.938804
"1032582"	189.548202	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2Cl"	69.938804
"1253619"	388.076485	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Br"	78.918885
"1316427"	390.132472	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Cl+HCOOH"	80.974872
"1332833"	412.114429	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Cl+NaCOOH"	102.956829
"925351"	422.143186	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M-H+CF3COOH"	112.985586
"1300611"	458.119864	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Cl+CF3COOH"	148.962264
"1377680"	274.144924	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H-2H2O"	-35.012676
"1394084"	292.1549	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H-H2O"	-17.0027
"294863"	619.322476	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+H"	1.007276
"686195"	928.480076	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+H"	1.007276
"1362542"	310.164876	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H"	1.007276
"138349"	310.164876	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+2H"	2.014552
"574995"	464.743676	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+2H"	2.014552
"1048167"	155.586076	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2H"	2.014552
"217527"	207.112342666667	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+3H"	3.021828
"655629"	310.164876	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+3H"	3.021828
"1174847"	104.059809333333	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+3H"	3.021828
"435931"	636.349023	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+NH4"	18.033823
"794738"	945.506623	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+NH4"	18.033823
"1691068"	327.191423	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+NH4"	18.033823
"333879"	318.6781495	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+H+NH4"	19.041099
"729580"	473.2569495	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+H+NH4"	19.041099
"1484493"	164.0993495	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H+NH4"	19.041099
"406461"	641.304418	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+Na"	22.989218
"760901"	950.462018	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+Na"	22.989218
"1609001"	332.146818	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Na"	22.989218
"319037"	321.155847	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+H+Na"	23.996494
"712550"	475.734647	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+H+Na"	23.996494
"1463087"	166.577047	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H+Na"	23.996494
"1057790"	111.387123333333	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2H+Na"	25.00377
"1264570"	342.191086	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+CH3OH+H"	33.033486
"380962"	657.278358	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+K"	38.963158
"741960"	966.435958	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+K"	38.963158
"1544012"	348.120758	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+K"	38.963158
"304467"	329.142817	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+H+K"	39.970434
"701267"	483.721617	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+H+K"	39.970434
"1448525"	174.564017	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H+K"	39.970434
"241501"	660.349026	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+ACN+H"	42.033826
"1217489"	351.191426	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+ACN+H"	42.033826
"1204653"	176.099351	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+ACN+2H"	43.041102
"197527"	663.28636	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+2Na-H"	44.97116
"637087"	972.44396	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+2Na-H"	44.97116
"1140592"	354.12876	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2Na-H"	44.97116
"184249"	332.146818	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+2Na"	45.978436
"624903"	486.725618	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+2Na"	45.978436
"1127679"	177.568018	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2Na"	45.978436
"1411568"	118.714437333333	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H+2Na"	46.985712
"1443684"	356.170346	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H+HCOOH"	47.012746
"234839"	337.17984	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+3H2O+2H"	56.04448
"1520712"	370.22239	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+IsoProp+H"	61.06479
"422586"	340.133788	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+Na+K"	61.952376
"784921"	494.712588	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+Na+K"	61.952376
"1678822"	185.554988	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Na+K"	61.952376
"265340"	682.330968	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+ACN+Na"	64.015768
"1232218"	373.173368	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+ACN+Na"	64.015768
"1720010"	373.196893	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+NH4+HCOOH"	64.039293
"1188643"	126.041751333333	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+3Na"	68.967654
"1664003"	378.152288	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Na+HCOOH"	68.994688
"160660"	695.23424	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+2K-H"	76.91904
"606055"	1004.39184	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+2K-H"	76.91904
"1088379"	386.07664	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2K-H"	76.91904
"145558"	348.120758	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"2M+2K"	77.926316
"585116"	502.699558	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"3M+2K"	77.926316
"1071452"	193.541958	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2K"	77.926316
"1102109"	388.091192	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2K+H"	78.933592
"1338857"	388.178807	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+DMSO+H"	79.021207
"1007752"	392.217976	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2ACN+H"	83.060376
"1526975"	393.211608	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+IsoProp+Na+H"	84.054008
"991599"	196.612626	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+2ACN+2H"	84.067652
"1589024"	394.126228	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+K+HCOOH"	84.968628
"1423072"	424.157738	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+H+CF3COOH"	115.000138
"1156643"	217.125901	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+3ACN+2H"	125.094202
"1710568"	441.184285	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+NH4+CF3COOH"	132.026685
"1641845"	446.13968	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+Na+CF3COOH"	136.98208
"1579683"	462.11362	"C10304"	"Fulvine"	"C16H23NO5"	"309.1576"	"M+K+CF3COOH"	152.95602
"810051"	418.1264	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M"	0
"985407"	399.10801	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-H2O-H"	-19.01839
"70734"	277.743657333333	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M-3H"	-3.021828
"516853"	417.119124	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M-3H"	-3.021828
"890281"	138.368190666667	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-3H"	-3.021828
"6668"	417.119124	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M-2H"	-2.014552
"442951"	626.182324	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M-2H"	-2.014552
"822938"	208.055924	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-2H"	-2.014552
"84021"	835.245524	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M-H"	-1.007276
"532341"	1253.371924	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M-H"	-1.007276
"904674"	417.119124	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-H"	-1.007276
"59049"	852.272071	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M-2H+NH4"	16.019271
"495328"	1270.398471	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M-2H+NH4"	16.019271
"867662"	434.145671	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-2H+NH4"	16.019271
"37750"	857.227466	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M-2H+Na"	20.974666
"474030"	1275.353866	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M-2H+Na"	20.974666
"857297"	439.101066	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-2H+Na"	20.974666
"1626830"	439.101066	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Na-2H"	20.974666
"95218"	435.107463	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M-H+Cl"	33.962126
"536359"	644.170663	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M-H+Cl"	33.962126
"927933"	226.044263	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-H+Cl"	33.962126
"268185"	871.222202	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+Cl"	34.969402
"661951"	1289.348602	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+Cl"	34.969402
"1273623"	453.095802	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Cl"	34.969402
"31313"	873.201406	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M-2H+K"	36.948606
"469978"	1291.327806	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M-2H+K"	36.948606
"846566"	455.075006	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-2H+K"	36.948606
"1569929"	455.075006	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+K-2H"	36.948606
"956593"	463.124594	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-H+HCOOH"	44.998194
"374802"	881.251001	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+HCOOH-H"	44.998201
"359051"	895.266651	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+Hac-H"	59.013851
"1506059"	477.140251	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Hac-H"	59.013851
"971414"	485.106551	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-H+NaCOOH"	66.980151
"122512"	453.095802	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+2Cl"	69.938804
"562069"	662.159002	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+2Cl"	69.938804
"1032328"	244.032602	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2Cl"	69.938804
"1253362"	497.045285	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Br"	78.918885
"1316173"	499.101272	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Cl+HCOOH"	80.974872
"1332942"	521.083229	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Cl+NaCOOH"	102.956829
"925461"	531.111986	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M-H+CF3COOH"	112.985586
"1296345"	567.088664	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Cl+CF3COOH"	148.962264
"1381924"	383.113724	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H-2H2O"	-35.012676
"1394194"	401.1237	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H-H2O"	-17.0027
"297039"	837.260076	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+H"	1.007276
"688491"	1255.386476	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+H"	1.007276
"1362652"	419.133676	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H"	1.007276
"135543"	419.133676	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+2H"	2.014552
"577291"	628.196876	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+2H"	2.014552
"1047183"	210.070476	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2H"	2.014552
"215083"	279.758209333333	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+3H"	3.021828
"657925"	419.133676	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+3H"	3.021828
"1172768"	140.382742666667	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+3H"	3.021828
"433854"	854.286623	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+NH4"	18.033823
"792660"	1272.413023	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+NH4"	18.033823
"1691178"	436.160223	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+NH4"	18.033823
"336174"	427.6469495	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+H+NH4"	19.041099
"727503"	636.7101495	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+H+NH4"	19.041099
"1485696"	218.5837495	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H+NH4"	19.041099
"407543"	859.242018	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+Na"	22.989218
"764292"	1277.368418	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+Na"	22.989218
"1610203"	441.115618	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Na"	22.989218
"319147"	430.124647	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+H+Na"	23.996494
"711566"	639.187847	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+H+Na"	23.996494
"1465749"	221.061447	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H+Na"	23.996494
"1064096"	147.710056666667	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2H+Na"	25.00377
"1266866"	451.159886	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+CH3OH+H"	33.033486
"380342"	875.215958	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+K"	38.963158
"740247"	1293.342358	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+K"	38.963158
"1544121"	457.089558	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+K"	38.963158
"304577"	438.111617	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+H+K"	39.970434
"693109"	647.174817	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+H+K"	39.970434
"1451912"	229.048417	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H+K"	39.970434
"243795"	878.286626	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+ACN+H"	42.033826
"1216505"	460.160226	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+ACN+H"	42.033826
"1202576"	230.583751	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+ACN+2H"	43.041102
"192898"	881.22396	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+2Na-H"	44.97116
"636467"	1299.35036	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+2Na-H"	44.97116
"1141795"	463.09756	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2Na-H"	44.97116
"184723"	441.115618	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+2Na"	45.978436
"624282"	650.178818	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+2Na"	45.978436
"1128153"	232.052418	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2Na"	45.978436
"1411678"	155.037370666667	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H+2Na"	46.985712
"1441969"	465.139146	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H+HCOOH"	47.012746
"232029"	446.14864	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+3H2O+2H"	56.04448
"1518268"	479.19119	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+IsoProp+H"	61.06479
"420873"	449.102588	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+Na+K"	61.952376
"782601"	658.165788	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+Na+K"	61.952376
"1679296"	240.039388	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Na+K"	61.952376
"262534"	900.268568	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+ACN+Na"	64.015768
"1230870"	482.142168	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+ACN+Na"	64.015768
"1720119"	482.165693	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+NH4+HCOOH"	64.039293
"1192035"	162.364684666667	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+3Na"	68.967654
"1662292"	487.121088	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Na+HCOOH"	68.994688
"160770"	913.17184	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+2K-H"	76.91904
"605072"	1331.29824	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+2K-H"	76.91904
"1088489"	495.04544	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2K-H"	76.91904
"144575"	457.089558	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"2M+2K"	77.926316
"585591"	666.152758	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"3M+2K"	77.926316
"1071926"	248.026358	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2K"	77.926316
"1102584"	497.059992	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2K+H"	78.933592
"1338237"	497.147607	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+DMSO+H"	79.021207
"1008593"	501.186776	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2ACN+H"	83.060376
"1526477"	502.180408	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+IsoProp+Na+H"	84.054008
"991345"	251.097026	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+2ACN+2H"	84.067652
"1589498"	503.095028	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+K+HCOOH"	84.968628
"1423182"	533.126538	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+H+CF3COOH"	115.000138
"1156753"	271.610301	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+3ACN+2H"	125.094202
"1710678"	550.153085	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+NH4+CF3COOH"	132.026685
"1641955"	555.10848	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+Na+CF3COOH"	136.98208
"1579793"	571.08242	"C10305"	"Barbaloin;Aloin;Aloin A"	"C21H22O9"	"418.1264"	"M+K+CF3COOH"	152.95602
"809068"	382.0689	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M"	0
"984788"	363.05051	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-H2O-H"	-19.01839
"71939"	253.705324	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M-3H"	-3.021828
"513684"	381.061624	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M-3H"	-3.021828
"890391"	126.349024	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-3H"	-3.021828
"6779"	381.061624	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M-2H"	-2.014552
"446341"	572.096074	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M-2H"	-2.014552
"817946"	190.027174	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-2H"	-2.014552
"85227"	763.130524	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M-H"	-1.007276
"524795"	1145.199424	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M-H"	-1.007276
"904784"	381.061624	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-H"	-1.007276
"51504"	780.157071	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M-2H+NH4"	16.019271
"488998"	1162.225971	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M-2H+NH4"	16.019271
"864853"	398.088171	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-2H+NH4"	16.019271
"36768"	785.112466	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M-2H+Na"	20.974666
"474141"	1167.181366	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M-2H+Na"	20.974666
"853034"	403.043566	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-2H+Na"	20.974666
"1622569"	403.043566	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Na-2H"	20.974666
"94965"	399.049963	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M-H+Cl"	33.962126
"537562"	590.084413	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M-H+Cl"	33.962126
"927393"	208.015513	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-H+Cl"	33.962126
"268173"	799.107202	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+Cl"	34.969402
"662061"	1181.176102	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+Cl"	34.969402
"1273245"	417.038302	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Cl"	34.969402
"30169"	801.086406	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M-2H+K"	36.948606
"470450"	1183.155306	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M-2H+K"	36.948606
"847526"	419.017506	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-2H+K"	36.948606
"1571007"	419.017506	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+K-2H"	36.948606
"957795"	427.067094	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-H+HCOOH"	44.998194
"375640"	809.136001	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+HCOOH-H"	44.998201
"359889"	823.151651	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+Hac-H"	59.013851
"1506533"	441.082751	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Hac-H"	59.013851
"971523"	449.049051	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-H+NaCOOH"	66.980151
"121162"	417.038302	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+2Cl"	69.938804
"562544"	608.072752	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+2Cl"	69.938804
"1032802"	226.003852	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2Cl"	69.938804
"1256027"	460.987785	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Br"	78.918885
"1318109"	463.043772	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Cl+HCOOH"	80.974872
"1334513"	485.025729	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Cl+NaCOOH"	102.956829
"924476"	495.054486	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M-H+CF3COOH"	112.985586
"1296455"	531.031164	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Cl+CF3COOH"	148.962264
"1371337"	347.056224	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H-2H2O"	-35.012676
"1394304"	365.0662	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H-H2O"	-17.0027
"296177"	765.145076	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+H"	1.007276
"686412"	1147.213976	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+H"	1.007276
"1363856"	383.076176	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H"	1.007276
"135653"	383.076176	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+2H"	2.014552
"577401"	574.110626	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+2H"	2.014552
"1050573"	192.041726	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2H"	2.014552
"217380"	255.719876	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+3H"	3.021828
"659495"	383.076176	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+3H"	3.021828
"1171785"	128.363576	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+3H"	3.021828
"433964"	782.171623	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+NH4"	18.033823
"791677"	1164.240523	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+NH4"	18.033823
"1694569"	400.102723	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+NH4"	18.033823
"337381"	391.5894495	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+H+NH4"	19.041099
"730895"	582.6238995	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+H+NH4"	19.041099
"1490181"	200.5549995	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H+NH4"	19.041099
"406679"	787.127018	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+Na"	22.989218
"761118"	1169.195918	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+Na"	22.989218
"1607029"	405.058118	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Na"	22.989218
"323627"	394.067147	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+H+Na"	23.996494
"712768"	585.101597	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+H+Na"	23.996494
"1465130"	203.032697	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H+Na"	23.996494
"1063114"	135.69089	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2H+Na"	25.00377
"1265884"	415.102386	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+CH3OH+H"	33.033486
"378630"	803.100958	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+K"	38.963158
"740719"	1185.169858	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+K"	38.963158
"1542409"	421.032058	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+K"	38.963158
"303593"	402.054117	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+H+K"	39.970434
"693830"	593.088567	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+H+K"	39.970434
"1453118"	211.019667	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H+K"	39.970434
"242812"	806.171626	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+ACN+H"	42.033826
"1216615"	424.102726	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+ACN+H"	42.033826
"1202686"	212.555001	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+ACN+2H"	43.041102
"197018"	809.10896	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+2Na-H"	44.97116
"633297"	1191.17786	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+2Na-H"	44.97116
"1140811"	427.04006	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2Na-H"	44.97116
"184103"	405.058118	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+2Na"	45.978436
"624754"	596.092568	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+2Na"	45.978436
"1127897"	214.023668	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2Na"	45.978436
"1412879"	143.018204	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H+2Na"	46.985712
"1442079"	429.081646	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H+HCOOH"	47.012746
"229220"	410.09114	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+3H2O+2H"	56.04448
"1515098"	443.13369	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+IsoProp+H"	61.06479
"416972"	413.045088	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+Na+K"	61.952376
"781617"	604.079538	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+Na+K"	61.952376
"1679041"	222.010638	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Na+K"	61.952376
"260456"	828.153568	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+ACN+Na"	64.015768
"1233167"	446.084668	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+ACN+Na"	64.015768
"1718043"	446.108193	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+NH4+HCOOH"	64.039293
"1189229"	150.345518	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+3Na"	68.967654
"1660579"	451.063588	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Na+HCOOH"	68.994688
"166711"	841.05684	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+2K-H"	76.91904
"605182"	1223.12574	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+2K-H"	76.91904
"1089692"	458.98794	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2K-H"	76.91904
"145049"	421.032058	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"2M+2K"	77.926316
"585337"	612.066508	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"3M+2K"	77.926316
"1073129"	229.997608	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2K"	77.926316
"1101966"	461.002492	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2K+H"	78.933592
"1338347"	461.090107	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+DMSO+H"	79.021207
"1009065"	465.129276	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2ACN+H"	83.060376
"1526830"	466.122908	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+IsoProp+Na+H"	84.054008
"991819"	233.068276	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+2ACN+2H"	84.067652
"1588880"	467.037528	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+K+HCOOH"	84.968628
"1422199"	497.069038	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+H+CF3COOH"	115.000138
"1160144"	253.581551	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+3ACN+2H"	125.094202
"1710788"	514.095585	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+NH4+CF3COOH"	132.026685
"1644253"	519.05098	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+Na+CF3COOH"	136.98208
"1579903"	535.02492	"C10306"	"Bikaverin"	"C20H14O8"	"382.0689"	"M+K+CF3COOH"	152.95602
"810271"	580.1792	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M"	0
"985991"	561.16081	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-H2O-H"	-19.01839
"72050"	385.778857333333	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M-3H"	-3.021828
"513794"	579.171924	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M-3H"	-3.021828
"889408"	192.385790666667	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-3H"	-3.021828
"7982"	579.171924	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M-2H"	-2.014552
"446451"	869.261524	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M-2H"	-2.014552
"819878"	289.082324	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-2H"	-2.014552
"87524"	1159.351124	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M-H"	-1.007276
"523812"	1739.530324	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M-H"	-1.007276
"904894"	579.171924	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-H"	-1.007276
"50521"	1176.377671	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M-2H+NH4"	16.019271
"488015"	1756.556871	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M-2H+NH4"	16.019271
"864367"	596.198471	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-2H+NH4"	16.019271
"33598"	1181.333066	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M-2H+Na"	20.974666
"474251"	1761.512266	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M-2H+Na"	20.974666
"853144"	601.153866	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-2H+Na"	20.974666
"1622679"	601.153866	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Na-2H"	20.974666
"97018"	597.160263	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M-H+Cl"	33.962126
"538766"	887.249863	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M-H+Cl"	33.962126
"928032"	307.070663	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-H+Cl"	33.962126
"267796"	1195.327802	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+Cl"	34.969402
"662292"	1775.507002	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+Cl"	34.969402
"1273354"	615.148602	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Cl"	34.969402
"30258"	1197.307006	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M-2H+K"	36.948606
"470553"	1777.486206	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M-2H+K"	36.948606
"847871"	617.127806	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-2H+K"	36.948606
"1570385"	617.127806	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+K-2H"	36.948606
"957536"	625.177394	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-H+HCOOH"	44.998194
"370647"	1205.356601	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+HCOOH-H"	44.998201
"355623"	1219.372251	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+Hac-H"	59.013851
"1504455"	639.193051	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Hac-H"	59.013851
"970905"	647.159351	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-H+NaCOOH"	66.980151
"121272"	615.148602	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+2Cl"	69.938804
"563382"	905.238202	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+2Cl"	69.938804
"1033641"	325.059002	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2Cl"	69.938804
"1253946"	659.098085	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Br"	78.918885
"1318714"	661.154072	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Cl+HCOOH"	80.974872
"1334623"	683.136029	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Cl+NaCOOH"	102.956829
"925314"	693.164786	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M-H+CF3COOH"	112.985586
"1296565"	729.141464	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Cl+CF3COOH"	148.962264
"1374727"	545.166524	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H-2H2O"	-35.012676
"1396602"	563.1765	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H-H2O"	-17.0027
"295194"	1161.365676	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+H"	1.007276
"687616"	1741.544876	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+H"	1.007276
"1362870"	581.186476	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H"	1.007276
"135761"	581.186476	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+2H"	2.014552
"574228"	871.276076	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+2H"	2.014552
"1049590"	291.096876	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2H"	2.014552
"212023"	387.793409333333	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+3H"	3.021828
"655959"	581.186476	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+3H"	3.021828
"1171895"	194.400342666667	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+3H"	3.021828
"431887"	1178.392223	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+NH4"	18.033823
"796162"	1758.571423	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+NH4"	18.033823
"1690305"	598.213023	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+NH4"	18.033823
"337491"	589.6997495	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+H+NH4"	19.041099
"727724"	879.7893495	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+H+NH4"	19.041099
"1479357"	299.6101495	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H+NH4"	19.041099
"404603"	1183.347618	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+Na"	22.989218
"762322"	1763.526818	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+Na"	22.989218
"1610420"	603.168418	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Na"	22.989218
"327017"	592.177447	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+H+Na"	23.996494
"713242"	882.267047	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+H+Na"	23.996494
"1473261"	302.087847	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H+Na"	23.996494
"1064317"	201.727656666667	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2H+Na"	25.00377
"1263807"	613.212686	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+CH3OH+H"	33.033486
"381293"	1199.321558	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+K"	38.963158
"739491"	1779.500758	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+K"	38.963158
"1545434"	619.142358	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+K"	38.963158
"305890"	600.164417	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+H+K"	39.970434
"695031"	890.254017	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+H+K"	39.970434
"1452135"	310.074817	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H+K"	39.970434
"241829"	1202.392226	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+ACN+H"	42.033826
"1210525"	622.213026	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+ACN+H"	42.033826
"1197328"	311.610151	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+ACN+2H"	43.041102
"197128"	1205.32956	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+2Na-H"	44.97116
"634500"	1785.50876	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+2Na-H"	44.97116
"1137641"	625.15036	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2Na-H"	44.97116
"182024"	603.168418	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+2Na"	45.978436
"619397"	893.258018	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+2Na"	45.978436
"1127277"	313.078818	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2Na"	45.978436
"1409707"	209.054970666667	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H+2Na"	46.985712
"1437449"	627.191946	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H+HCOOH"	47.012746
"228237"	608.20144	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+3H2O+2H"	56.04448
"1516299"	641.24399	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+IsoProp+H"	61.06479
"412707"	611.155388	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+Na+K"	61.952376
"773339"	901.244988	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+Na+K"	61.952376
"1671129"	321.065788	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Na+K"	61.952376
"256919"	1224.374168	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+ACN+Na"	64.015768
"1229267"	644.194968	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+ACN+Na"	64.015768
"1716328"	644.218493	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+NH4+HCOOH"	64.039293
"1187879"	216.382284666667	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+3Na"	68.967654
"1658864"	649.173888	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Na+HCOOH"	68.994688
"163538"	1237.27744	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+2K-H"	76.91904
"598358"	1817.45664	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+2K-H"	76.91904
"1090162"	657.09824	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2K-H"	76.91904
"146614"	619.142358	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"2M+2K"	77.926316
"583987"	909.231958	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"3M+2K"	77.926316
"1069590"	329.052758	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2K"	77.926316
"1101343"	659.112792	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2K+H"	78.933592
"1338092"	659.200407	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+DMSO+H"	79.021207
"1006988"	663.239576	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2ACN+H"	83.060376
"1526941"	664.233208	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+IsoProp+Na+H"	84.054008
"990061"	332.123426	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+2ACN+2H"	84.067652
"1588261"	665.147828	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+K+HCOOH"	84.968628
"1422309"	695.179338	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+H+CF3COOH"	115.000138
"1161348"	352.636701	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+3ACN+2H"	125.094202
"1710898"	712.205885	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+NH4+CF3COOH"	132.026685
"1644363"	717.16128	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+Na+CF3COOH"	136.98208
"1580013"	733.13522	"C10307"	"Cascaroside A"	"C27H32O14"	"580.1792"	"M+K+CF3COOH"	152.95602
"810385"	506.1002	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M"	0
"986103"	487.08181	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-H2O-H"	-19.01839
"69972"	336.392857333333	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M-3H"	-3.021828
"510626"	505.092924	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M-3H"	-3.021828
"881866"	167.692790666667	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-3H"	-3.021828
"5908"	505.092924	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M-2H"	-2.014552
"441216"	758.143024	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M-2H"	-2.014552
"818895"	252.042824	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-2H"	-2.014552
"81076"	1011.193124	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M-H"	-1.007276
"521735"	1517.293324	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M-H"	-1.007276
"898444"	505.092924	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-H"	-1.007276
"47957"	1028.219671	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M-2H+NH4"	16.019271
"491284"	1534.319871	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M-2H+NH4"	16.019271
"865805"	522.119471	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-2H+NH4"	16.019271
"31516"	1033.175066	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M-2H+Na"	20.974666
"471563"	1539.275266	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M-2H+Na"	20.974666
"852161"	527.074866	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-2H+Na"	20.974666
"1621692"	527.074866	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Na-2H"	20.974666
"95305"	523.081263	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M-H+Cl"	33.962126
"535958"	776.131363	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M-H+Cl"	33.962126
"927280"	270.031163	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-H+Cl"	33.962126
"269853"	1047.169802	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+Cl"	34.969402
"662275"	1553.270002	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+Cl"	34.969402
"1273223"	541.069602	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Cl"	34.969402
"16184"	1049.149006	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M-2H+K"	36.948606
"462271"	1555.249206	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M-2H+K"	36.948606
"842261"	543.048806	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-2H+K"	36.948606
"1570128"	543.048806	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+K-2H"	36.948606
"956553"	551.098394	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-H+HCOOH"	44.998194
"370756"	1057.198601	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+HCOOH-H"	44.998201
"360474"	1071.214251	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+Hac-H"	59.013851
"1504202"	565.114051	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Hac-H"	59.013851
"972478"	573.080351	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-H+NaCOOH"	66.980151
"121016"	541.069602	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+2Cl"	69.938804
"562766"	794.119702	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+2Cl"	69.938804
"1035578"	288.019502	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2Cl"	69.938804
"1255517"	585.019085	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Br"	78.918885
"1319671"	587.075072	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Cl+HCOOH"	80.974872
"1332180"	609.057029	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Cl+NaCOOH"	102.956829
"925061"	619.085786	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M-H+CF3COOH"	112.985586
"1295582"	655.062464	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Cl+CF3COOH"	148.962264
"1374837"	471.087524	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H-2H2O"	-35.012676
"1396716"	489.0975	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H-H2O"	-17.0027
"297373"	1013.207676	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+H"	1.007276
"691056"	1519.307876	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+H"	1.007276
"1361887"	507.107476	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H"	1.007276
"139152"	507.107476	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+2H"	2.014552
"574338"	760.157576	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+2H"	2.014552
"1050793"	254.057376	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2H"	2.014552
"213226"	338.407409333333	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+3H"	3.021828
"657164"	507.107476	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+3H"	3.021828
"1176380"	169.707342666667	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+3H"	3.021828
"435279"	1030.234223	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+NH4"	18.033823
"796274"	1536.334423	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+NH4"	18.033823
"1686045"	524.134023	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+NH4"	18.033823
"340881"	515.6207495	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+H+NH4"	19.041099
"733305"	768.6708495	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+H+NH4"	19.041099
"1490040"	262.5706495	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H+NH4"	19.041099
"404714"	1035.189618	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+Na"	22.989218
"761339"	1541.289818	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+Na"	22.989218
"1610531"	529.089418	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Na"	22.989218
"322755"	518.098447	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+H+Na"	23.996494
"715177"	771.148547	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+H+Na"	23.996494
"1466810"	265.048347	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H+Na"	23.996494
"1064428"	177.034656666667	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2H+Na"	25.00377
"1261734"	539.133686	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+CH3OH+H"	33.033486
"380310"	1051.163558	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+K"	38.963158
"739847"	1557.263758	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+K"	38.963158
"1544451"	545.063358	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+K"	38.963158
"301629"	526.085417	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+H+K"	39.970434
"695146"	779.135517	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+H+K"	39.970434
"1453341"	273.035317	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H+K"	39.970434
"241941"	1054.234226	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+ACN+H"	42.033826
"1215744"	548.134026	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+ACN+H"	42.033826
"1202180"	274.570651	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+ACN+2H"	43.041102
"194322"	1057.17156	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+2Na-H"	44.97116
"638626"	1563.27176	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+2Na-H"	44.97116
"1145410"	551.07136	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2Na-H"	44.97116
"183231"	529.089418	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+2Na"	45.978436
"619509"	782.139518	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+2Na"	45.978436
"1120826"	276.039318	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2Na"	45.978436
"1408724"	184.361970666667	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H+2Na"	46.985712
"1438654"	553.112946	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H+HCOOH"	47.012746
"221057"	534.12244	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+3H2O+2H"	56.04448
"1513496"	567.16499	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+IsoProp+H"	61.06479
"415004"	537.076388	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+Na+K"	61.952376
"779284"	790.126488	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+Na+K"	61.952376
"1674521"	284.026288	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Na+K"	61.952376
"258853"	1076.216168	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+ACN+Na"	64.015768
"1229378"	570.115968	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+ACN+Na"	64.015768
"1714251"	570.139493	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+NH4+HCOOH"	64.039293
"1182522"	191.689284666667	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+3Na"	68.967654
"1655697"	575.094888	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Na+HCOOH"	68.994688
"160734"	1089.11944	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+2K-H"	76.91904
"598468"	1595.21964	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+2K-H"	76.91904
"1087720"	583.01924	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2K-H"	76.91904
"146723"	545.063358	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"2M+2K"	77.926316
"586284"	798.113458	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"3M+2K"	77.926316
"1071889"	292.013258	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2K"	77.926316
"1101454"	585.033792	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2K+H"	78.933592
"1338203"	585.121407	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+DMSO+H"	79.021207
"1007463"	589.160576	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2ACN+H"	83.060376
"1527051"	590.154208	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+IsoProp+Na+H"	84.054008
"995692"	295.083926	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+2ACN+2H"	84.067652
"1588009"	591.068828	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+K+HCOOH"	84.968628
"1419136"	621.100338	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+H+CF3COOH"	115.000138
"1162437"	315.597201	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+3ACN+2H"	125.094202
"1712229"	638.126885	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+NH4+CF3COOH"	132.026685
"1647754"	643.08228	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+Na+CF3COOH"	136.98208
"1576843"	659.05622	"C10308"	"Cassiamin C"	"C30H18O8"	"506.1002"	"M+K+CF3COOH"	152.95602
"810491"	534.1526	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M"	0
"984026"	515.13421	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-H2O-H"	-19.01839
"67896"	355.094457333333	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M-3H"	-3.021828
"509641"	533.145324	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M-3H"	-3.021828
"882340"	177.043590666667	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-3H"	-3.021828
"8205"	533.145324	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M-2H"	-2.014552
"441204"	800.221624	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M-2H"	-2.014552
"820098"	266.069024	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-2H"	-2.014552
"78874"	1067.297924	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M-H"	-1.007276
"521845"	1601.450524	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M-H"	-1.007276
"898554"	533.145324	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-H"	-1.007276
"47946"	1084.324471	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M-2H+NH4"	16.019271
"491394"	1618.477071	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M-2H+NH4"	16.019271
"865916"	550.171871	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-2H+NH4"	16.019271
"31750"	1089.279866	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M-2H+Na"	20.974666
"472404"	1623.432466	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M-2H+Na"	20.974666
"855551"	555.127266	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-2H+Na"	20.974666
"1619618"	555.127266	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Na-2H"	20.974666
"95779"	551.133663	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M-H+Cl"	33.962126
"535095"	818.209963	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M-H+Cl"	33.962126
"927517"	284.057363	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-H+Cl"	33.962126
"268868"	1103.274602	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+Cl"	34.969402
"660806"	1637.427202	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+Cl"	34.969402
"1273698"	569.122002	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Cl"	34.969402
"17471"	1105.253806	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M-2H+K"	36.948606
"465661"	1639.406406	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M-2H+K"	36.948606
"843100"	571.101206	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-2H+K"	36.948606
"1570482"	571.101206	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+K-2H"	36.948606
"957392"	579.150794	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-H+HCOOH"	44.998194
"369772"	1113.303401	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+HCOOH-H"	44.998201
"359859"	1127.319051	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+Hac-H"	59.013851
"1503219"	593.166451	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Hac-H"	59.013851
"972592"	601.132751	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-H+NaCOOH"	66.980151
"122586"	569.122002	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+2Cl"	69.938804
"563971"	836.198302	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+2Cl"	69.938804
"1034962"	302.045702	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2Cl"	69.938804
"1254898"	613.071485	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Br"	78.918885
"1318076"	615.127472	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Cl+HCOOH"	80.974872
"1334725"	637.109429	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Cl+NaCOOH"	102.956829
"926269"	647.138186	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M-H+CF3COOH"	112.985586
"1303705"	683.114864	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Cl+CF3COOH"	148.962264
"1380413"	499.139924	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H-2H2O"	-35.012676
"1393535"	517.1499	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H-H2O"	-17.0027
"297240"	1069.312476	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+H"	1.007276
"690881"	1603.465076	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+H"	1.007276
"1361997"	535.159876	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H"	1.007276
"139262"	535.159876	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+2H"	2.014552
"571168"	802.236176	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+2H"	2.014552
"1050903"	268.083576	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2H"	2.014552
"212243"	357.109009333333	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+3H"	3.021828
"657274"	535.159876	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+3H"	3.021828
"1176490"	179.058142666667	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+3H"	3.021828
"434295"	1086.339023	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+NH4"	18.033823
"796383"	1620.491623	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+NH4"	18.033823
"1688341"	552.186423	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+NH4"	18.033823
"340991"	543.6731495	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+H+NH4"	19.041099
"731226"	810.7494495	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+H+NH4"	19.041099
"1489420"	276.5968495	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H+NH4"	19.041099
"405917"	1091.294418	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+Na"	22.989218
"761449"	1625.447018	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+Na"	22.989218
"1610641"	557.141818	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Na"	22.989218
"321772"	546.150847	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+H+Na"	23.996494
"714194"	813.227147	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+H+Na"	23.996494
"1468014"	279.074547	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H+Na"	23.996494
"1064538"	186.385456666667	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2H+Na"	25.00377
"1264030"	567.186086	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+CH3OH+H"	33.033486
"378597"	1107.268358	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+K"	38.963158
"741048"	1641.420958	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+K"	38.963158
"1544560"	573.115758	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+K"	38.963158
"301736"	554.137817	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+H+K"	39.970434
"694163"	821.214117	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+H+K"	39.970434
"1447982"	287.061517	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H+K"	39.970434
"237677"	1110.339026	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+ACN+H"	42.033826
"1213667"	576.186426	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+ACN+H"	42.033826
"1200103"	288.596851	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+ACN+2H"	43.041102
"192973"	1113.27636	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+2Na-H"	44.97116
"638732"	1647.42896	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+2Na-H"	44.97116
"1141144"	579.12376	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2Na-H"	44.97116
"180789"	557.141818	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+2Na"	45.978436
"617796"	824.218118	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+2Na"	45.978436
"1119843"	290.065518	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2Na"	45.978436
"1408834"	193.712770666667	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H+2Na"	46.985712
"1435484"	581.165346	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H+HCOOH"	47.012746
"220925"	562.17484	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+3H2O+2H"	56.04448
"1513606"	595.21739	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+IsoProp+H"	61.06479
"416207"	565.128788	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+Na+K"	61.952376
"775020"	832.205088	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+Na+K"	61.952376
"1666083"	298.052488	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Na+K"	61.952376
"254953"	1132.320968	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+ACN+Na"	64.015768
"1229488"	598.168368	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+ACN+Na"	64.015768
"1712819"	598.191893	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+NH4+HCOOH"	64.039293
"1184819"	201.040084666667	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+3Na"	68.967654
"1652526"	603.147288	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Na+HCOOH"	68.994688
"160480"	1145.22424	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+2K-H"	76.91904
"598213"	1679.37684	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+2K-H"	76.91904
"1086738"	611.07164	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2K-H"	76.91904
"142826"	573.115758	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"2M+2K"	77.926316
"584571"	840.192058	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"3M+2K"	77.926316
"1071270"	306.039458	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2K"	77.926316
"1101563"	613.086192	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2K+H"	78.933592
"1337581"	613.173807	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+DMSO+H"	79.021207
"1007332"	617.212976	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2ACN+H"	83.060376
"1528255"	618.206608	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+IsoProp+Na+H"	84.054008
"995802"	309.110126	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+2ACN+2H"	84.067652
"1589212"	619.121228	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+K+HCOOH"	84.968628
"1418153"	649.152738	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+H+CF3COOH"	115.000138
"1149535"	329.623401	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+3ACN+2H"	125.094202
"1711123"	666.179285	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+NH4+CF3COOH"	132.026685
"1647864"	671.13468	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+Na+CF3COOH"	136.98208
"1578046"	687.10862	"C10309"	"Cercosporin"	"C29H26O10"	"534.1526"	"M+K+CF3COOH"	152.95602
"814976"	186.0681	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M"	0
"986323"	167.04971	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"72382"	123.038124	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"509757"	185.060824	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"887558"	61.015424	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"2852"	185.060824	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"443506"	278.094874	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"818512"	92.026774	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"80207"	371.128924	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"529612"	557.197024	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"904133"	185.060824	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"55227"	388.155471	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"493693"	574.223571	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"874779"	202.087371	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"39397"	393.110866	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"481142"	579.178966	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"857850"	207.042766	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1626290"	207.042766	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"95767"	203.049163	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"536910"	296.083213	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"932612"	110.015113	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"269346"	407.105602	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"660674"	593.173702	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1275998"	221.037502	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"24023"	409.084806	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"466865"	595.152906	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"846493"	223.016706	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1570354"	223.016706	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"956777"	231.066294	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"376458"	417.134401	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"360333"	431.150051	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1506982"	245.081951	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"972702"	253.048251	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"124524"	221.037502	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"562264"	314.071552	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1033978"	128.003452	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1256110"	264.986985	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1315635"	267.042972	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1333498"	289.024929	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"924920"	299.053686	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1300535"	335.030364	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1382345"	151.055424	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1391459"	169.0654	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"285675"	373.143476	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"677735"	559.211576	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1362834"	187.075376	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"141075"	187.075376	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"577840"	280.109426	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1051744"	94.041326	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"214540"	125.052676	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"659578"	187.075376	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1177453"	63.029976	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"439390"	390.170023	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"800505"	576.238123	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1692826"	204.101923	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"342925"	195.5886495	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"731336"	288.6226995	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1489530"	102.5545995	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"408094"	395.125418	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"764839"	581.193518	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1611846"	209.057318	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"327229"	198.066347	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"718678"	291.100397	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1472498"	105.032297	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1068351"	70.35729	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1270700"	219.101586	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"388184"	411.099358	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"742984"	597.167458	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1545763"	225.031258	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"301848"	206.053317	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"695366"	299.087367	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1451373"	113.019267	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"242161"	414.170026	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1217056"	228.101926	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1202036"	114.554601	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"193083"	417.10736	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"637747"	603.17546	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1139430"	231.03926	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"182353"	209.057318	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"623008"	302.091368	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1126514"	116.023268	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1411134"	77.684604	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1442154"	233.080846	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"228568"	214.09034	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1518819"	247.13289	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"418504"	217.044288	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"770754"	310.078338	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1668180"	124.010238	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"255794"	436.151968	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1235066"	250.083868	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1720672"	250.107393	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1189308"	85.011918	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1652637"	255.062788	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"157677"	449.05524	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"601248"	635.12334	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1085758"	262.98714	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"144758"	225.031258	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"584317"	318.065308	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1072112"	131.997208	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1102768"	265.001692	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1338058"	265.089307	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1007683"	269.128476	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1527272"	270.122108	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"993725"	135.067876	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1588227"	271.036728	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1414977"	301.068238	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1151832"	155.581151	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1707947"	318.094785	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1644693"	323.05018	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1573782"	339.02412	"C10310"	"Chimaphylin;Chimaphilin"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"810711"	304.0139	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M"	0
"987891"	284.99551	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-H2O-H"	-19.01839
"72488"	201.668657333333	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M-3H"	-3.021828
"509867"	303.006624	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M-3H"	-3.021828
"889855"	100.330690666667	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-3H"	-3.021828
"6241"	303.006624	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M-2H"	-2.014552
"443615"	455.013574	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M-2H"	-2.014552
"826885"	150.999674	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-2H"	-2.014552
"80317"	607.020524	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M-H"	-1.007276
"529358"	911.034424	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M-H"	-1.007276
"904243"	303.006624	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-H"	-1.007276
"56430"	624.047071	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M-2H+NH4"	16.019271
"499270"	928.060971	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M-2H+NH4"	16.019271
"873795"	320.033171	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-2H+NH4"	16.019271
"41694"	629.002466	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M-2H+Na"	20.974666
"485263"	933.016366	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M-2H+Na"	20.974666
"861240"	324.988566	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-2H+Na"	20.974666
"1628586"	324.988566	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Na-2H"	20.974666
"99647"	320.994963	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M-H+Cl"	33.962126
"542488"	473.001913	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M-H+Cl"	33.962126
"930535"	168.988013	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-H+Cl"	33.962126
"272372"	642.997202	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+Cl"	34.969402
"668078"	947.011102	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+Cl"	34.969402
"1276108"	338.983302	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Cl"	34.969402
"24133"	644.976406	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M-2H+K"	36.948606
"468799"	948.990306	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M-2H+K"	36.948606
"846968"	340.962506	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-2H+K"	36.948606
"1570099"	340.962506	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+K-2H"	36.948606
"954700"	349.012094	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-H+HCOOH"	44.998194
"374014"	653.026001	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+HCOOH-H"	44.998201
"359232"	667.041651	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+Hac-H"	59.013851
"1505999"	363.027751	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Hac-H"	59.013851
"970992"	370.994051	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-H+NaCOOH"	66.980151
"123176"	338.983302	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+2Cl"	69.938804
"562007"	490.990252	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+2Cl"	69.938804
"1034085"	186.976352	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2Cl"	69.938804
"1254755"	382.932785	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Br"	78.918885
"1317569"	384.988772	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Cl+HCOOH"	80.974872
"1334708"	406.970729	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Cl+NaCOOH"	102.956829
"926900"	416.999486	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M-H+CF3COOH"	112.985586
"1303933"	452.976164	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Cl+CF3COOH"	148.962264
"1378444"	269.001224	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H-2H2O"	-35.012676
"1394848"	287.0112	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H-H2O"	-17.0027
"285056"	609.035076	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+H"	1.007276
"677117"	913.048976	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+H"	1.007276
"1355653"	305.021176	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H"	1.007276
"134009"	305.021176	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+2H"	2.014552
"580868"	457.028126	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+2H"	2.014552
"1052096"	153.014226	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2H"	2.014552
"214650"	203.683209333333	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+3H"	3.021828
"658222"	305.021176	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+3H"	3.021828
"1176344"	102.345242666667	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+3H"	3.021828
"436702"	626.061623	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+NH4"	18.033823
"796602"	930.075523	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+NH4"	18.033823
"1691840"	322.047723	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+NH4"	18.033823
"335743"	313.5344495	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+H+NH4"	19.041099
"731444"	465.5413995	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+H+NH4"	19.041099
"1483077"	161.5274995	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H+NH4"	19.041099
"406745"	631.017018	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+Na"	22.989218
"764948"	935.030918	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+Na"	22.989218
"1617425"	327.003118	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Na"	22.989218
"326366"	316.012147	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+H+Na"	23.996494
"718788"	468.019097	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+H+Na"	23.996494
"1469329"	164.005197	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H+Na"	23.996494
"1066582"	109.672556666667	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2H+Na"	25.00377
"1267530"	337.047386	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+CH3OH+H"	33.033486
"388294"	646.990958	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+K"	38.963158
"744917"	951.004858	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+K"	38.963158
"1546968"	342.977058	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+K"	38.963158
"304145"	323.999117	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+H+K"	39.970434
"695476"	476.006067	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+H+K"	39.970434
"1451484"	171.992167	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H+K"	39.970434
"241179"	650.061626	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+ACN+H"	42.033826
"1216073"	346.047726	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+ACN+H"	42.033826
"1202146"	173.527501	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+ACN+2H"	43.041102
"197203"	652.99896	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+2Na-H"	44.97116
"641137"	957.01286	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+2Na-H"	44.97116
"1142456"	348.98506	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2Na-H"	44.97116
"183558"	327.003118	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+2Na"	45.978436
"626401"	479.010068	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+2Na"	45.978436
"1126625"	174.996168	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2Na"	45.978436
"1413070"	116.999870666667	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H+2Na"	46.985712
"1443359"	351.026646	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H+HCOOH"	47.012746
"233054"	332.03614	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+3H2O+2H"	56.04448
"1518929"	365.07869	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+IsoProp+H"	61.06479
"419707"	334.990088	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+Na+K"	61.952376
"773051"	486.997038	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+Na+K"	61.952376
"1668290"	182.983138	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Na+K"	61.952376
"254811"	672.043568	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+ACN+Na"	64.015768
"1235176"	368.029668	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+ACN+Na"	64.015768
"1718595"	368.053193	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+NH4+HCOOH"	64.039293
"1187232"	124.327184666667	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+3Na"	68.967654
"1652747"	373.008588	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Na+HCOOH"	68.994688
"157908"	684.94684	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+2K-H"	76.91904
"599535"	988.96074	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+2K-H"	76.91904
"1088054"	380.93294	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2K-H"	76.91904
"147055"	342.977058	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"2M+2K"	77.926316
"588801"	494.984008	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"3M+2K"	77.926316
"1075501"	190.970108	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2K"	77.926316
"1108711"	382.947492	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2K+H"	78.933592
"1338898"	383.035107	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+DMSO+H"	79.021207
"1011438"	387.074276	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2ACN+H"	83.060376
"1526652"	388.067908	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+IsoProp+Na+H"	84.054008
"993835"	194.040776	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+2ACN+2H"	84.067652
"1591617"	388.982528	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+K+HCOOH"	84.968628
"1418368"	419.014038	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+H+CF3COOH"	115.000138
"1151942"	214.554051	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+3ACN+2H"	125.094202
"1704777"	436.040585	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+NH4+CF3COOH"	132.026685
"1642616"	440.99598	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+Na+CF3COOH"	136.98208
"1573892"	456.96992	"C10311"	"7-Chloroemodin"	"C15H9ClO5"	"304.0139"	"M+K+CF3COOH"	152.95602
"815927"	240.0423	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M"	0
"984355"	221.02391	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H2O-H"	-19.01839
"70411"	159.020924	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-3H"	-3.021828
"511069"	239.035024	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-3H"	-3.021828
"885590"	79.006824	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-3H"	-3.021828
"4525"	239.035024	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H"	-2.014552
"447006"	359.056174	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H"	-2.014552
"826997"	119.013874	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H"	-2.014552
"86990"	479.077324	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-H"	-1.007276
"529468"	719.119624	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-H"	-1.007276
"904353"	239.035024	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H"	-1.007276
"58727"	496.103871	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H+NH4"	16.019271
"498288"	736.146171	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H+NH4"	16.019271
"874998"	256.061571	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H+NH4"	16.019271
"40712"	501.059266	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H+Na"	20.974666
"480270"	741.101566	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H+Na"	20.974666
"860258"	261.016966	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H+Na"	20.974666
"1628696"	261.016966	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na-2H"	20.974666
"103037"	257.023363	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-H+Cl"	33.962126
"537130"	377.044513	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-H+Cl"	33.962126
"929551"	137.002213	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+Cl"	33.962126
"268470"	515.054002	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Cl"	34.969402
"663081"	755.096302	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+Cl"	34.969402
"1277312"	275.011702	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl"	34.969402
"26068"	517.033206	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H+K"	36.948606
"471327"	757.075506	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H+K"	36.948606
"847651"	276.990906	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H+K"	36.948606
"1570538"	276.990906	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K-2H"	36.948606
"954809"	285.040494	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+HCOOH"	44.998194
"375826"	525.082801	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+HCOOH-H"	44.998201
"359464"	539.098451	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Hac-H"	59.013851
"1503560"	299.056151	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Hac-H"	59.013851
"967822"	307.022451	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+NaCOOH"	66.980151
"122194"	275.011702	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2Cl"	69.938804
"562484"	395.032852	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2Cl"	69.938804
"1034927"	154.990552	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2Cl"	69.938804
"1254866"	318.961185	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Br"	78.918885
"1312938"	321.017172	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl+HCOOH"	80.974872
"1334445"	342.999129	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl+NaCOOH"	102.956829
"925870"	353.027886	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+CF3COOH"	112.985586
"1302577"	389.004564	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl+CF3COOH"	148.962264
"1381106"	205.029624	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H-2H2O"	-35.012676
"1388398"	223.0396	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H-H2O"	-17.0027
"289178"	481.091876	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H"	1.007276
"682692"	721.134176	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H"	1.007276
"1352965"	241.049576	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H"	1.007276
"128650"	241.049576	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2H"	2.014552
"579884"	361.070726	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2H"	2.014552
"1051234"	121.028426	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2H"	2.014552
"215853"	161.035476	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+3H"	3.021828
"658331"	241.049576	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+3H"	3.021828
"1176454"	81.021376	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+3H"	3.021828
"436812"	498.118423	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+NH4"	18.033823
"796712"	738.160723	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+NH4"	18.033823
"1688670"	258.076123	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+NH4"	18.033823
"335853"	249.5628495	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H+NH4"	19.041099
"732647"	369.5839995	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H+NH4"	19.041099
"1483187"	129.5416995	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+NH4"	19.041099
"407340"	503.073818	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Na"	22.989218
"761778"	743.116118	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+Na"	22.989218
"1614255"	263.031518	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na"	22.989218
"323197"	252.040547	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H+Na"	23.996494
"718898"	372.061697	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H+Na"	23.996494
"1469439"	132.019397	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+Na"	23.996494
"1064869"	88.34869	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2H+Na"	25.00377
"1266546"	273.075786	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+CH3OH+H"	33.033486
"386218"	519.047758	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+K"	38.963158
"742841"	759.090058	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+K"	38.963158
"1548172"	279.005458	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K"	38.963158
"305349"	260.027517	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H+K"	39.970434
"695586"	380.048667	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H+K"	39.970434
"1452685"	140.006367	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+K"	39.970434
"244569"	522.118426	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+ACN+H"	42.033826
"1216183"	282.076126	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+ACN+H"	42.033826
"1202256"	141.541701	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+ACN+2H"	43.041102
"194033"	525.05576	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2Na-H"	44.97116
"637967"	765.09806	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2Na-H"	44.97116
"1142566"	285.01346	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2Na-H"	44.97116
"184762"	263.031518	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2Na"	45.978436
"626878"	383.052668	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2Na"	45.978436
"1128922"	143.010368	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2Na"	45.978436
"1413180"	95.676004	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+2Na"	46.985712
"1444199"	287.055046	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+HCOOH"	47.012746
"234257"	268.06454	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+3H2O+2H"	56.04448
"1521226"	301.10709	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+IsoProp+H"	61.06479
"422006"	271.018488	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Na+K"	61.952376
"777537"	391.039638	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+Na+K"	61.952376
"1672774"	150.997338	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na+K"	61.952376
"256014"	544.100368	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+ACN+Na"	64.015768
"1235286"	304.058068	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+ACN+Na"	64.015768
"1718705"	304.081593	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+NH4+HCOOH"	64.039293
"1187341"	103.003318	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+3Na"	68.967654
"1652859"	309.036988	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na+HCOOH"	68.994688
"161908"	557.00364	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2K-H"	76.91904
"599766"	797.04594	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2K-H"	76.91904
"1085248"	316.96134	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2K-H"	76.91904
"144976"	279.005458	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2K"	77.926316
"586724"	399.026608	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2K"	77.926316
"1072695"	158.984308	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2K"	77.926316
"1105539"	318.975892	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2K+H"	78.933592
"1338647"	319.063507	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+DMSO+H"	79.021207
"1007542"	323.102676	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2ACN+H"	83.060376
"1531871"	324.096308	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+IsoProp+Na+H"	84.054008
"992852"	162.054976	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2ACN+2H"	84.067652
"1589175"	325.010928	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K+HCOOH"	84.968628
"1417390"	355.042438	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+CF3COOH"	115.000138
"1152052"	182.568251	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+3ACN+2H"	125.094202
"1712545"	372.068985	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+NH4+CF3COOH"	132.026685
"1642726"	377.02438	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na+CF3COOH"	136.98208
"1575096"	392.99832	"C10312"	"Danthron;Chrysazin;18-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K+CF3COOH"	152.95602
"810931"	520.1581	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M"	0
"984465"	501.13971	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-H2O-H"	-19.01839
"78180"	345.764790666667	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M-3H"	-3.021828
"515553"	519.150824	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M-3H"	-3.021828
"887887"	172.378757333333	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-3H"	-3.021828
"4271"	519.150824	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M-2H"	-2.014552
"447116"	779.229874	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M-2H"	-2.014552
"828930"	259.071774	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-2H"	-2.014552
"87100"	1039.308924	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M-H"	-1.007276
"528849"	1559.467024	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M-H"	-1.007276
"904463"	519.150824	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-H"	-1.007276
"58837"	1056.335471	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M-2H+NH4"	16.019271
"498763"	1576.493571	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M-2H+NH4"	16.019271
"875108"	536.177371	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-2H+NH4"	16.019271
"40822"	1061.290866	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M-2H+Na"	20.974666
"481474"	1581.448966	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M-2H+Na"	20.974666
"861461"	541.132766	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-2H+Na"	20.974666
"1628806"	541.132766	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Na-2H"	20.974666
"104240"	537.139163	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M-H+Cl"	33.962126
"544895"	797.218213	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M-H+Cl"	33.962126
"931847"	277.060113	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-H+Cl"	33.962126
"267729"	1075.285602	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+Cl"	34.969402
"663920"	1595.443702	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+Cl"	34.969402
"1278515"	555.127502	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Cl"	34.969402
"26178"	1077.264806	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M-2H+K"	36.948606
"470116"	1597.422906	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M-2H+K"	36.948606
"846096"	557.106706	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-2H+K"	36.948606
"1571139"	557.106706	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+K-2H"	36.948606
"958035"	565.156294	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-H+HCOOH"	44.998194
"375689"	1085.314401	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+HCOOH-H"	44.998201
"359574"	1099.330051	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+Hac-H"	59.013851
"1506582"	579.171951	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Hac-H"	59.013851
"970118"	587.138251	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-H+NaCOOH"	66.980151
"122668"	555.127502	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+2Cl"	69.938804
"563321"	815.206552	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+2Cl"	69.938804
"1034671"	295.048452	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2Cl"	69.938804
"1254976"	599.076985	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Br"	78.918885
"1313049"	601.132972	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Cl+HCOOH"	80.974872
"1331639"	623.114929	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Cl+NaCOOH"	102.956829
"926222"	633.143686	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M-H+CF3COOH"	112.985586
"1301227"	669.120364	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Cl+CF3COOH"	148.962264
"1373194"	485.145424	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H-2H2O"	-35.012676
"1388508"	503.1554	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H-H2O"	-17.0027
"286008"	1041.323476	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+H"	1.007276
"682800"	1561.481576	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+H"	1.007276
"1352590"	521.165376	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H"	1.007276
"126573"	521.165376	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+2H"	2.014552
"581339"	781.244426	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+2H"	2.014552
"1051344"	261.086326	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2H"	2.014552
"215963"	347.779342666667	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+3H"	3.021828
"657712"	521.165376	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+3H"	3.021828
"1173649"	174.393309333333	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+3H"	3.021828
"437651"	1058.350023	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+NH4"	18.033823
"793542"	1578.508123	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+NH4"	18.033823
"1688780"	538.191923	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+NH4"	18.033823
"335963"	529.6786495	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+H+NH4"	19.041099
"732757"	789.7576995	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+H+NH4"	19.041099
"1483297"	269.5995995	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H+NH4"	19.041099
"406357"	1063.305418	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+Na"	22.989218
"765168"	1583.463518	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+Na"	22.989218
"1612176"	543.147318	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Na"	22.989218
"327680"	532.156347	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+H+Na"	23.996494
"717913"	792.235397	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+H+Na"	23.996494
"1473919"	272.077297	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H+Na"	23.996494
"1062792"	181.720623333333	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2H+Na"	25.00377
"1265562"	553.191586	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+CH3OH+H"	33.033486
"384136"	1079.279358	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+K"	38.963158
"744038"	1599.437458	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+K"	38.963158
"1542811"	559.121258	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+K"	38.963158
"306549"	540.143317	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+H+K"	39.970434
"695330"	800.222367	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+H+K"	39.970434
"1453888"	280.064267	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H+K"	39.970434
"243586"	1082.350026	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+ACN+H"	42.033826
"1213011"	562.191926	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+ACN+H"	42.033826
"1206012"	281.599601	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+ACN+2H"	43.041102
"197423"	1085.28736	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+2Na-H"	44.97116
"641357"	1605.44546	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+2Na-H"	44.97116
"1139396"	565.12926	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2Na-H"	44.97116
"180131"	543.147318	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+2Na"	45.978436
"624433"	803.226368	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+2Na"	45.978436
"1127939"	283.068268	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2Na"	45.978436
"1412196"	189.047937333333	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H+2Na"	46.985712
"1444306"	567.170846	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H+HCOOH"	47.012746
"234733"	548.18034	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+3H2O+2H"	56.04448
"1520240"	581.22289	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+IsoProp+H"	61.06479
"419927"	551.134288	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+Na+K"	61.952376
"776554"	811.213338	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+Na+K"	61.952376
"1669603"	291.055238	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Na+K"	61.952376
"255030"	1104.331968	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+ACN+Na"	64.015768
"1235396"	584.173868	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+ACN+Na"	64.015768
"1721001"	584.197393	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+NH4+HCOOH"	64.039293
"1188545"	196.375251333333	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+3Na"	68.967654
"1655156"	589.152788	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Na+HCOOH"	68.994688
"163111"	1117.23524	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+2K-H"	76.91904
"600848"	1637.39334	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+2K-H"	76.91904
"1084993"	597.07714	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2K-H"	76.91904
"143628"	559.121258	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"2M+2K"	77.926316
"584647"	819.200308	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"3M+2K"	77.926316
"1071347"	299.042208	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2K"	77.926316
"1103462"	599.091692	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2K+H"	78.933592
"1337664"	599.179307	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+DMSO+H"	79.021207
"1006679"	603.218476	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2ACN+H"	83.060376
"1533074"	604.212108	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+IsoProp+Na+H"	84.054008
"991869"	302.112876	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+2ACN+2H"	84.067652
"1590014"	605.126728	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+K+HCOOH"	84.968628
"1418593"	635.158238	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+H+CF3COOH"	115.000138
"1153255"	322.626151	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+3ACN+2H"	125.094202
"1712651"	652.184785	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+NH4+CF3COOH"	132.026685
"1642836"	657.14018	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+Na+CF3COOH"	136.98208
"1575206"	673.11412	"C10313"	"Chryso-obtusin glucoside"	"C25H28O12"	"520.1581"	"M+K+CF3COOH"	152.95602
"811041"	240.0786	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M"	0
"987491"	221.06021	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"77436"	159.045124	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"509102"	239.071324	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"885809"	79.018924	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"2193"	239.071324	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"440419"	359.110624	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"821749"	119.032024	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"87210"	479.149924	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"526771"	719.228524	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"902386"	239.071324	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"53479"	496.176471	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"493040"	736.255071	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"874123"	256.097871	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"39837"	501.131866	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"476116"	741.210466	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"856104"	261.053266	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1622355"	261.053266	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"99977"	257.059663	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"540631"	377.098963	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"929771"	137.020363	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"267475"	515.126602	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"661114"	755.205202	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1279717"	275.048002	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"27017"	517.105806	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"469132"	757.184406	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"843654"	277.027206	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1570796"	277.027206	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"953204"	285.076794	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"376041"	525.155401	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"359318"	539.171051	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1505601"	299.092451	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"970228"	307.058751	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"119499"	275.048002	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"563067"	395.087302	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1036240"	155.008702	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1255818"	318.997485	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1316075"	321.053472	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1332477"	343.035429	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"926658"	353.064186	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1302433"	389.040864	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1373304"	205.065924	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1388618"	223.0759	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"292678"	481.164476	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"682910"	721.243076	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1357071"	241.085876	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"126684"	241.085876	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"580104"	361.125176	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1050361"	121.046576	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"216074"	161.059676	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"655636"	241.085876	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1173759"	81.033476	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"433753"	498.191023	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"793652"	738.269623	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1688891"	258.112423	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"336073"	249.5991495	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"731774"	369.6384495	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1484499"	129.5598495	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"406467"	503.146418	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"768194"	743.225018	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1614109"	263.067818	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"324509"	252.076847	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"720089"	372.116147	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1471842"	132.037547	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1063631"	88.36079	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1266765"	273.112086	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"384246"	519.120358	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"744148"	759.198958	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1544014"	279.041758	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"306659"	260.063817	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"693253"	380.103117	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1452905"	140.024517	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"243695"	522.191026	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1213121"	282.112426	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1207215"	141.559851	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"196440"	525.12836	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"639646"	765.20696	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1139506"	285.04976	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"178784"	263.067818	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"623450"	383.107118	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1127321"	143.028518	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1412303"	95.688104	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1440772"	287.091346	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"233749"	268.10084	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1521809"	301.14339	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"416393"	271.054788	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"779944"	391.094088	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1672994"	151.015488	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"257328"	544.172968	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1234413"	304.094368	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1721112"	304.117893	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1188655"	103.015418	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1656359"	309.073288	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"161399"	557.07624	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"600958"	797.15484	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1088384"	316.99764	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"146290"	279.041758	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"586944"	399.081058	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1072552"	159.002458	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1104666"	319.012192	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1337045"	319.099807	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1007398"	323.138976	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1533184"	324.132608	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"991249"	162.073126	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1590853"	325.047228	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1420890"	355.078738	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1152272"	182.586401	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1712603"	372.105285	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1642946"	377.06068	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1575316"	393.03462	"C10314"	"Chrysophanic acid 9-anthrone;Chrysophanol anthrone;Chrysarobin"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"811151"	254.0579	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M"	0
"984685"	235.03951	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"77668"	168.364657333333	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"512491"	253.050624	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"884825"	83.6786906666667	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"4489"	253.050624	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"441259"	380.079574	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"821859"	126.021674	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"87319"	507.108524	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"527610"	761.166424	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"903589"	253.050624	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"51402"	524.135071	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"492056"	778.192971	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"870952"	270.077171	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"38853"	529.090466	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"479505"	783.148366	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"858400"	275.032566	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1624653"	275.032566	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"97899"	271.038963	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"540741"	398.067913	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"933161"	144.010013	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"268558"	543.085202	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"662317"	797.143102	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1279827"	289.027302	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"29556"	545.064406	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"468509"	799.122306	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"844127"	291.006506	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1564335"	291.006506	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"952220"	299.056094	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"374449"	553.114001	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"360887"	567.129651	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1507533"	313.071751	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"974133"	321.038051	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"124222"	289.027302	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"564512"	416.056252	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1035251"	161.998352	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1254832"	332.976785	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1317278"	335.032772	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1330764"	357.014729	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"922916"	367.043486	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1297438"	403.020164	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1374504"	219.045224	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1389821"	237.0552	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"292788"	509.123076	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"681927"	763.180976	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1356087"	255.065176	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"132254"	255.065176	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"579121"	382.094126	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1051930"	128.036226	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"218370"	170.379209333333	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"653556"	255.065176	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1172775"	85.6932426666667	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"436049"	526.149623	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"793762"	780.207523	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1691187"	272.091723	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"338370"	263.5784495	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"731884"	390.6073995	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1481329"	136.5494995	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"407549"	531.105018	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"767940"	785.162918	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1615313"	277.047118	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"323524"	266.056147	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"718862"	393.085097	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1470857"	139.027197	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1063012"	93.0205566666667	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1265781"	287.091386	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"379981"	547.078958	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"744258"	801.136858	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1544124"	293.021058	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"306769"	274.043117	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"701380"	401.072067	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1454108"	147.014167	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"242709"	550.149626	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1214687"	296.091726	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1204773"	148.549501	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"197643"	553.08696	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"640484"	807.14486	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1138520"	299.02906	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"183998"	277.047118	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"623560"	404.076068	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1125973"	150.018168	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1410591"	100.347870666667	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1442341"	301.070646	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"232401"	282.08014	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1519732"	315.12269	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"417596"	285.034088	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"780054"	412.063038	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1673104"	158.005138	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"257438"	572.131568	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1234523"	318.073668	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1721222"	318.097193	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1190951"	107.675184666667	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1653553"	323.052588	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"163332"	585.03484	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"602162"	839.09274	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1087401"	330.97694	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"145308"	293.021058	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"589242"	420.050008	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1073755"	165.992108	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1108057"	332.991492	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1338979"	333.079107	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1009691"	337.118276	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1533295"	338.111908	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"991238"	169.062776	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1589870"	339.026528	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1417718"	369.058038	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1147278"	189.576051	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1711779"	386.084585	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1638681"	391.03998	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1575426"	407.01392	"C10315"	"Chrysophanol;Chrysophanic acid;18-Dihydroxy-3-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"811261"	416.1107	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M"	0
"984795"	397.09231	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-H2O-H"	-19.01839
"76318"	276.399857333333	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M-3H"	-3.021828
"510415"	415.103424	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M-3H"	-3.021828
"883842"	137.696290666667	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-3H"	-3.021828
"1442"	415.103424	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M-2H"	-2.014552
"447446"	623.158774	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M-2H"	-2.014552
"821969"	207.048074	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-2H"	-2.014552
"86336"	831.214124	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M-H"	-1.007276
"531367"	1247.324824	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M-H"	-1.007276
"906981"	415.103424	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-H"	-1.007276
"55888"	848.240671	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+NH4"	16.019271
"495447"	1264.351371	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+NH4"	16.019271
"873249"	432.129971	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-2H+NH4"	16.019271
"34590"	853.196066	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+Na"	20.974666
"482896"	1269.306766	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+Na"	20.974666
"860698"	437.085366	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-2H+Na"	20.974666
"1624763"	437.085366	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Na-2H"	20.974666
"95945"	433.091763	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M-H+Cl"	33.962126
"540851"	641.147113	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M-H+Cl"	33.962126
"931084"	225.036413	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-H+Cl"	33.962126
"268668"	867.190802	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+Cl"	34.969402
"664251"	1283.301502	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+Cl"	34.969402
"1284312"	451.080102	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Cl"	34.969402
"30150"	869.170006	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+K"	36.948606
"469348"	1285.280706	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+K"	36.948606
"840589"	453.059306	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-2H+K"	36.948606
"1564445"	453.059306	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+K-2H"	36.948606
"949049"	461.108894	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-H+HCOOH"	44.998194
"365078"	877.219601	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+HCOOH-H"	44.998201
"358804"	891.235251	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+Hac-H"	59.013851
"1507518"	475.124551	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Hac-H"	59.013851
"964243"	483.090851	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-H+NaCOOH"	66.980151
"121899"	451.080102	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+2Cl"	69.938804
"564869"	659.135452	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+2Cl"	69.938804
"1034876"	243.024752	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2Cl"	69.938804
"1253117"	495.029585	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Br"	78.918885
"1314471"	497.085572	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+HCOOH"	80.974872
"1327594"	519.067529	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+NaCOOH"	102.956829
"916466"	529.096286	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M-H+CF3COOH"	112.985586
"1297548"	565.072964	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+CF3COOH"	148.962264
"1370606"	381.098024	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H-2H2O"	-35.012676
"1387734"	399.108	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H-H2O"	-17.0027
"290711"	833.228676	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+H"	1.007276
"680943"	1249.339376	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+H"	1.007276
"1352551"	417.117976	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H"	1.007276
"126654"	417.117976	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+2H"	2.014552
"577048"	625.173326	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+2H"	2.014552
"1050217"	209.062626	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2H"	2.014552
"216294"	278.414409333333	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+3H"	3.021828
"653666"	417.117976	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+3H"	3.021828
"1171794"	139.710842666667	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+3H"	3.021828
"432877"	850.255223	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+NH4"	18.033823
"792780"	1266.365923	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+NH4"	18.033823
"1688018"	434.144523	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+NH4"	18.033823
"336657"	425.6312495	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+H+NH4"	19.041099
"731994"	633.6865995	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+H+NH4"	19.041099
"1482532"	217.5758995	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H+NH4"	19.041099
"403407"	855.210618	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+Na"	22.989218
"766592"	1271.321318	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+Na"	22.989218
"1610320"	439.099918	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Na"	22.989218
"323634"	428.108947	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+H+Na"	23.996494
"717148"	636.164297	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+H+Na"	23.996494
"1470966"	220.053597	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H+Na"	23.996494
"1062028"	147.038156666667	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2H+Na"	25.00377
"1263704"	449.144186	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+CH3OH+H"	33.033486
"379726"	871.184558	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+K"	38.963158
"744368"	1287.295258	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+K"	38.963158
"1544234"	455.073858	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+K"	38.963158
"299342"	436.095917	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+H+K"	39.970434
"700397"	644.151267	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+H+K"	39.970434
"1452029"	228.040567	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H+K"	39.970434
"241726"	874.255226	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+ACN+H"	42.033826
"1214068"	458.144526	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+H"	42.033826
"1200508"	229.575901	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+2H"	43.041102
"194473"	877.19256	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+2Na-H"	44.97116
"638407"	1293.30326	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+2Na-H"	44.97116
"1136806"	461.08186	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2Na-H"	44.97116
"181921"	439.099918	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+2Na"	45.978436
"623670"	647.155268	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+2Na"	45.978436
"1126083"	231.044568	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2Na"	45.978436
"1408514"	154.365470666667	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H+2Na"	46.985712
"1441722"	463.123446	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H+HCOOH"	47.012746
"232146"	444.13294	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+3H2O+2H"	56.04448
"1518384"	477.17549	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+IsoProp+H"	61.06479
"418070"	447.086888	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+Na+K"	61.952376
"780164"	655.142238	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+Na+K"	61.952376
"1676493"	239.031538	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Na+K"	61.952376
"257548"	896.237168	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+ACN+Na"	64.015768
"1228798"	480.126468	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+Na"	64.015768
"1721332"	480.149993	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+NH4+HCOOH"	64.039293
"1191061"	161.692784666667	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+3Na"	68.967654
"1653663"	485.105388	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Na+HCOOH"	68.994688
"163442"	909.14044	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+2K-H"	76.91904
"604095"	1325.25114	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+2K-H"	76.91904
"1085325"	493.02974	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2K-H"	76.91904
"143231"	455.073858	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"2M+2K"	77.926316
"588258"	663.129208	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"3M+2K"	77.926316
"1072770"	247.018508	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2K"	77.926316
"1109262"	495.044292	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2K+H"	78.933592
"1337140"	495.131907	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+DMSO+H"	79.021207
"1009800"	499.171076	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2ACN+H"	83.060376
"1531218"	500.164708	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+IsoProp+Na+H"	84.054008
"992198"	250.089176	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+2ACN+2H"	84.067652
"1588279"	501.079328	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+K+HCOOH"	84.968628
"1417828"	531.110838	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+H+CF3COOH"	115.000138
"1147390"	270.602451	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+3ACN+2H"	125.094202
"1711404"	548.137385	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+NH4+CF3COOH"	132.026685
"1636605"	553.09278	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+Na+CF3COOH"	136.98208
"1575536"	569.06672	"C10316"	"Chrysophanol 8-O-beta-D-glucoside;Chrysophanol 8-glucoside"	"C21H20O9"	"416.1107"	"M+K+CF3COOH"	152.95602
"813561"	358.1416	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M"	0
"984905"	339.12321	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"68773"	237.753790666667	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"507243"	357.134324	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"885044"	118.373257333333	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"2527"	357.134324	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"448651"	536.205124	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"825360"	178.063524	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"87539"	715.275924	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"534202"	1073.417524	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"910370"	357.134324	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"60371"	732.302471	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"498837"	1090.444071	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"877733"	374.160871	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"36887"	737.257866	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"485194"	1095.399466	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"859714"	379.116266	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1622687"	379.116266	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"98119"	375.122663	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"538778"	554.193463	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"930103"	196.051863	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"274130"	751.252602	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"668741"	1109.394202	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1281145"	393.111002	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"26982"	753.231806	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"463263"	1111.373406	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"846172"	395.090206	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1564553"	395.090206	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"950252"	403.139794	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"374303"	761.281401	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"353447"	775.297051	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1507750"	417.155451	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"970552"	425.121751	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"121281"	393.111002	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"560113"	572.181802	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1032192"	214.040202	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1251769"	437.060485	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1312394"	439.116472	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1329891"	461.098429	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"918762"	471.127186	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1297658"	507.103864	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1370352"	323.128924	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1387845"	341.1389	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"287535"	717.290476	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"679230"	1075.432076	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1351930"	359.148876	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"126037"	359.148876	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"577520"	538.219676	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1048504"	180.078076	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"209842"	239.768342666667	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"655963"	359.148876	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1172998"	120.387809333333	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"435174"	734.317023	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"793983"	1092.458623	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1689221"	376.175423	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"333852"	367.6621495	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"727366"	546.7329495	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1481913"	188.5913495	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"402424"	739.272418	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"763422"	1097.414018	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1608243"	381.130818	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"322650"	370.139847	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"718351"	549.210647	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1469983"	191.069047	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1059952"	127.715123333333	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1266001"	391.175086	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"379836"	755.246358	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"746665"	1113.387958	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1547625"	397.104758	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"298845"	378.126817	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"698322"	557.197617	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1451046"	199.056017	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"240742"	758.317026	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1214178"	400.175426	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1199525"	200.591351	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"193490"	761.25436	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"635237"	1119.39596	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1138375"	403.11276	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"182031"	381.130818	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"622686"	560.201618	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1126192"	202.060018	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1409717"	135.042437333333	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1444749"	405.154346	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"234080"	386.16384	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1518496"	419.20639	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"422192"	389.117788	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"782461"	568.188588	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1674420"	210.046988	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"260938"	780.298968	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1238025"	422.157368	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1721443"	422.180893	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1187891"	142.369751333333	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1657785"	427.136288	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"163187"	793.20224	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"600194"	1151.34384	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1086163"	435.06064	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"143707"	397.104758	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"585088"	576.175558	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1071788"	218.033958	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1103902"	437.075192	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1337008"	437.162807	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1008823"	441.201976	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1535702"	442.195608	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"994496"	221.104626	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1592279"	443.110228	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1422314"	473.141738	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1150416"	241.617901	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1708719"	490.168285	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1641089"	495.12368	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1575646"	511.09762	"C10317"	"Coleone A"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"811481"	952.3823	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M"	0
"985015"	933.36391	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-H2O-H"	-19.01839
"74350"	633.914257333333	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M-3H"	-3.021828
"510630"	951.375024	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M-3H"	-3.021828
"885154"	316.453490666667	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-3H"	-3.021828
"7011"	951.375024	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M-2H"	-2.014552
"447668"	1427.566174	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M-2H"	-2.014552
"825470"	475.183874	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-2H"	-2.014552
"87649"	1903.757324	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M-H"	-1.007276
"533655"	2856.139624	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M-H"	-1.007276
"907928"	951.375024	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-H"	-1.007276
"61333"	1920.783871	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M-2H+NH4"	16.019271
"497854"	2873.166171	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M-2H+NH4"	16.019271
"874563"	968.401571	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-2H+NH4"	16.019271
"35175"	1925.739266	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M-2H+Na"	20.974666
"480931"	2878.121566	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M-2H+Na"	20.974666
"859826"	973.356966	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-2H+Na"	20.974666
"1624984"	973.356966	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Na-2H"	20.974666
"99323"	969.363363	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M-H+Cl"	33.962126
"539252"	1445.554513	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M-H+Cl"	33.962126
"929485"	493.172213	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-H+Cl"	33.962126
"271321"	1939.734002	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+Cl"	34.969402
"663014"	2892.116302	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+Cl"	34.969402
"1279067"	987.351702	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Cl"	34.969402
"20531"	1941.713206	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M-2H+K"	36.948606
"462279"	2894.095506	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M-2H+K"	36.948606
"843364"	989.330906	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-2H+K"	36.948606
"1564663"	989.330906	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+K-2H"	36.948606
"948174"	997.380494	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-H+HCOOH"	44.998194
"374413"	1949.762801	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+HCOOH-H"	44.998201
"350277"	1963.778451	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+Hac-H"	59.013851
"1504942"	1011.396151	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Hac-H"	59.013851
"969568"	1019.362451	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-H+NaCOOH"	66.980151
"118838"	987.351702	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+2Cl"	69.938804
"560223"	1463.542852	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+2Cl"	69.938804
"1033395"	511.160552	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2Cl"	69.938804
"1246776"	1031.301185	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Br"	78.918885
"1305944"	1033.357172	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Cl+HCOOH"	80.974872
"1328907"	1055.339129	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Cl+NaCOOH"	102.956829
"919966"	1065.367886	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M-H+CF3COOH"	112.985586
"1297767"	1101.344564	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Cl+CF3COOH"	148.962264
"1369369"	917.369624	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H-2H2O"	-35.012676
"1386133"	935.3796	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H-H2O"	-17.0027
"284729"	1905.771876	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+H"	1.007276
"678248"	2858.154176	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+H"	1.007276
"1352043"	953.389576	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H"	1.007276
"126388"	953.389576	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+2H"	2.014552
"576539"	1429.580726	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+2H"	2.014552
"1049708"	477.198426	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2H"	2.014552
"211046"	635.928809333333	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+3H"	3.021828
"657166"	953.389576	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+3H"	3.021828
"1175295"	318.468042666667	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+3H"	3.021828
"434192"	1922.798423	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+NH4"	18.033823
"794093"	2875.180723	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+NH4"	18.033823
"1690424"	970.416123	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+NH4"	18.033823
"334326"	961.9028495	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+H+NH4"	19.041099
"727840"	1438.0939995	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+H+NH4"	19.041099
"1479836"	485.7116995	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H+NH4"	19.041099
"399251"	1927.753818	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+Na"	22.989218
"766812"	2880.136118	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+Na"	22.989218
"1610540"	975.371518	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Na"	22.989218
"327134"	964.380547	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+H+Na"	23.996494
"717368"	1440.571697	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+H+Na"	23.996494
"1470093"	488.189397	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H+Na"	23.996494
"1063342"	325.795356666667	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2H+Na"	25.00377
"1266112"	985.415786	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+CH3OH+H"	33.033486
"383592"	1943.727758	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+K"	38.963158
"746775"	2896.110058	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+K"	38.963158
"1545548"	991.345458	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+K"	38.963158
"300902"	972.367517	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+H+K"	39.970434
"698429"	1448.558667	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+H+K"	39.970434
"1452249"	496.176367	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H+K"	39.970434
"240852"	1946.798426	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+ACN+H"	42.033826
"1213195"	994.416126	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+ACN+H"	42.033826
"1199635"	497.711701	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+ACN+2H"	43.041102
"194693"	1949.73576	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+2Na-H"	44.97116
"635347"	2902.11806	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+2Na-H"	44.97116
"1141037"	997.35346	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2Na-H"	44.97116
"182141"	975.371518	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+2Na"	45.978436
"620609"	1451.562668	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+2Na"	45.978436
"1121928"	499.180368	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2Na"	45.978436
"1410920"	333.122670666667	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H+2Na"	46.985712
"1444738"	999.395046	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H+HCOOH"	47.012746
"235041"	980.40454	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+3H2O+2H"	56.04448
"1520792"	1013.44709	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+IsoProp+H"	61.06479
"424046"	983.358488	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+Na+K"	61.952376
"782573"	1459.549638	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+Na+K"	61.952376
"1677810"	507.167338	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Na+K"	61.952376
"263235"	1968.780368	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+ACN+Na"	64.015768
"1237041"	1016.398068	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+ACN+Na"	64.015768
"1720459"	1016.421593	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+NH4+HCOOH"	64.039293
"1188001"	340.449984666667	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+3Na"	68.967654
"1657895"	1021.376988	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Na+HCOOH"	68.994688
"163297"	1981.68364	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+2K-H"	76.91904
"599212"	2934.06594	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+2K-H"	76.91904
"1088826"	1029.30134	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2K-H"	76.91904
"143817"	991.345458	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"2M+2K"	77.926316
"586291"	1467.536608	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"3M+2K"	77.926316
"1071898"	515.154308	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2K"	77.926316
"1104012"	1031.315892	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2K+H"	78.933592
"1338215"	1031.403507	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+DMSO+H"	79.021207
"1007840"	1035.442676	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2ACN+H"	83.060376
"1532532"	1036.436308	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+IsoProp+Na+H"	84.054008
"994606"	518.224976	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+2ACN+2H"	84.067652
"1592389"	1037.350928	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+K+HCOOH"	84.968628
"1426798"	1067.382438	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+H+CF3COOH"	115.000138
"1154900"	538.738251	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+3ACN+2H"	125.094202
"1705549"	1084.408985	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+NH4+CF3COOH"	132.026685
"1636825"	1089.36438	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+Na+CF3COOH"	136.98208
"1575756"	1105.33832	"C10318"	"Conocurvone"	"C60H56O11"	"952.3823"	"M+K+CF3COOH"	152.95602
"811591"	397.2101	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M"	0
"985125"	378.19171	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-H2O-H"	-19.01839
"71180"	263.799457333333	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M-3H"	-3.021828
"508553"	396.202824	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M-3H"	-3.021828
"883078"	131.396090666667	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-3H"	-3.021828
"682"	396.202824	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M-2H"	-2.014552
"447778"	594.807874	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M-2H"	-2.014552
"825580"	197.597774	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-2H"	-2.014552
"87759"	793.412924	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M-H"	-1.007276
"532792"	1190.623024	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M-H"	-1.007276
"908038"	396.202824	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-H"	-1.007276
"57309"	810.439471	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M-2H+NH4"	16.019271
"496871"	1207.649571	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M-2H+NH4"	16.019271
"872487"	413.229371	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-2H+NH4"	16.019271
"34921"	815.394866	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M-2H+Na"	20.974666
"478854"	1212.604966	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M-2H+Na"	20.974666
"857750"	418.184766	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-2H+Na"	20.974666
"1625093"	418.184766	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Na-2H"	20.974666
"98340"	414.191163	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M-H+Cl"	33.962126
"539362"	612.796213	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M-H+Cl"	33.962126
"931417"	215.586113	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-H+Cl"	33.962126
"272160"	829.389602	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+Cl"	34.969402
"665675"	1226.599702	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+Cl"	34.969402
"1279175"	432.179502	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Cl"	34.969402
"22827"	831.368806	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M-2H+K"	36.948606
"462389"	1228.578906	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M-2H+K"	36.948606
"842380"	434.158706	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-2H+K"	36.948606
"1558939"	434.158706	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+K-2H"	36.948606
"946095"	442.208294	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-H+HCOOH"	44.998194
"365404"	839.418401	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+HCOOH-H"	44.998201
"348194"	853.434051	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+Hac-H"	59.013851
"1505051"	456.223951	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Hac-H"	59.013851
"965664"	464.190251	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-H+NaCOOH"	66.980151
"113841"	432.179502	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+2Cl"	69.938804
"554132"	630.784552	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+2Cl"	69.938804
"1025120"	233.574452	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2Cl"	69.938804
"1244699"	476.128985	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Br"	78.918885
"1309334"	478.184972	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Cl+HCOOH"	80.974872
"1322456"	500.166929	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Cl+NaCOOH"	102.956829
"915700"	510.195686	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M-H+CF3COOH"	112.985586
"1296782"	546.172364	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Cl+CF3COOH"	148.962264
"1368385"	362.197424	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H-2H2O"	-35.012676
"1385149"	380.2074	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H-H2O"	-17.0027
"284837"	795.427476	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+H"	1.007276
"681274"	1192.637576	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+H"	1.007276
"1352395"	398.217376	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H"	1.007276
"126499"	398.217376	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+2H"	2.014552
"578827"	596.822426	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+2H"	2.014552
"1050547"	199.612326	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2H"	2.014552
"212249"	265.814009333333	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+3H"	3.021828
"656183"	398.217376	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+3H"	3.021828
"1175405"	133.410642666667	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+3H"	3.021828
"432116"	812.454023	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+NH4"	18.033823
"794203"	1209.664123	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+NH4"	18.033823
"1690534"	415.243923	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+NH4"	18.033823
"334436"	406.7306495	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+H+NH4"	19.041099
"731231"	605.3356995	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+H+NH4"	19.041099
"1480676"	208.1255995	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H+NH4"	19.041099
"402641"	817.409418	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+Na"	22.989218
"766923"	1214.619518	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+Na"	22.989218
"1609557"	420.199318	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Na"	22.989218
"323966"	409.208347	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+H+Na"	23.996494
"716385"	607.813397	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+H+Na"	23.996494
"1468017"	210.603297	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H+Na"	23.996494
"1059077"	140.737956666667	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2H+Na"	25.00377
"1265129"	430.243586	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+CH3OH+H"	33.033486
"381515"	833.383358	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+K"	38.963158
"746885"	1230.593458	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+K"	38.963158
"1545658"	436.173258	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+K"	38.963158
"301012"	417.195317	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+H+K"	39.970434
"698540"	615.800367	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+H+K"	39.970434
"1451266"	218.590267	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H+K"	39.970434
"239503"	836.454026	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+ACN+H"	42.033826
"1214398"	439.243926	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+ACN+H"	42.033826
"1200838"	220.125601	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+ACN+2H"	43.041102
"194803"	839.39136	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+2Na-H"	44.97116
"640925"	1236.60146	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+2Na-H"	44.97116
"1140056"	442.18126	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2Na-H"	44.97116
"183347"	420.199318	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+2Na"	45.978436
"624366"	618.804368	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+2Na"	45.978436
"1130425"	221.594268	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2Na"	45.978436
"1413349"	148.065270666667	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H+2Na"	46.985712
"1445221"	444.222846	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H+HCOOH"	47.012746
"234671"	425.23234	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+3H2O+2H"	56.04448
"1520904"	458.27489	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+IsoProp+H"	61.06479
"423144"	428.186288	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+Na+K"	61.952376
"783532"	626.791338	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+Na+K"	61.952376
"1675732"	229.581238	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Na+K"	61.952376
"264438"	858.435968	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+ACN+Na"	64.015768
"1232775"	461.225868	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+ACN+Na"	64.015768
"1719840"	461.249393	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+NH4+HCOOH"	64.039293
"1185194"	155.392584666667	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+3Na"	68.967654
"1655452"	466.204788	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Na+HCOOH"	68.994688
"157366"	871.33924	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+2K-H"	76.91904
"597414"	1268.54934	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+2K-H"	76.91904
"1084924"	474.12914	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2K-H"	76.91904
"143564"	436.173258	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"2M+2K"	77.926316
"584217"	634.778308	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"3M+2K"	77.926316
"1077475"	237.568208	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2K"	77.926316
"1103030"	476.143692	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2K+H"	78.933592
"1338322"	476.231307	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+DMSO+H"	79.021207
"1010129"	480.270476	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2ACN+H"	83.060376
"1527172"	481.264108	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+IsoProp+Na+H"	84.054008
"995809"	240.638876	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+2ACN+2H"	84.067652
"1596873"	482.178728	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+K+HCOOH"	84.968628
"1420345"	512.210238	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+H+CF3COOH"	115.000138
"1156102"	261.152151	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+3ACN+2H"	125.094202
"1705659"	529.236785	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+NH4+CF3COOH"	132.026685
"1636935"	534.19218	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+Na+CF3COOH"	136.98208
"1575866"	550.16612	"C10319"	"Heliosupine;7-Angelyl-9-echimidinylheliotridine"	"C20H31NO7"	"397.2101"	"M+K+CF3COOH"	152.95602
"812795"	378.2406	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M"	0
"986329"	359.22221	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-H2O-H"	-19.01839
"71290"	251.153124	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M-3H"	-3.021828
"508663"	377.233324	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M-3H"	-3.021828
"886468"	125.072924	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-3H"	-3.021828
"7231"	377.233324	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M-2H"	-2.014552
"454817"	566.353624	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M-2H"	-2.014552
"831888"	188.113024	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-2H"	-2.014552
"87869"	755.473924	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M-H"	-1.007276
"532416"	1133.714524	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M-H"	-1.007276
"909610"	377.233324	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-H"	-1.007276
"59609"	772.500471	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M-2H+NH4"	16.019271
"500751"	1150.741071	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M-2H+NH4"	16.019271
"874785"	394.259871	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-2H+NH4"	16.019271
"40499"	777.455866	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M-2H+Na"	20.974666
"477870"	1155.696466	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M-2H+Na"	20.974666
"851298"	399.215266	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-2H+Na"	20.974666
"1624111"	399.215266	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Na-2H"	20.974666
"96633"	395.221663	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M-H+Cl"	33.962126
"543484"	584.341963	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M-H+Cl"	33.962126
"931532"	206.101363	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-H+Cl"	33.962126
"268992"	791.450602	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+Cl"	34.969402
"665792"	1169.691202	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+Cl"	34.969402
"1279290"	413.210002	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Cl"	34.969402
"26223"	793.429806	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M-2H+K"	36.948606
"465783"	1171.670406	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M-2H+K"	36.948606
"847842"	415.189206	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-2H+K"	36.948606
"1563789"	415.189206	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+K-2H"	36.948606
"952767"	423.238794	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-H+HCOOH"	44.998194
"370617"	801.479401	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+HCOOH-H"	44.998201
"349397"	815.495051	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+Hac-H"	59.013851
"1503337"	437.254451	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Hac-H"	59.013851
"965774"	445.220751	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-H+NaCOOH"	66.980151
"112499"	413.210002	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+2Cl"	69.938804
"555340"	602.330302	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+2Cl"	69.938804
"1021949"	224.089702	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2Cl"	69.938804
"1244810"	457.159485	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Br"	78.918885
"1309445"	459.215472	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Cl+HCOOH"	80.974872
"1323661"	481.197429	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Cl+NaCOOH"	102.956829
"915079"	491.226186	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M-H+CF3COOH"	112.985586
"1292880"	527.202864	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Cl+CF3COOH"	148.962264
"1369589"	343.227924	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H-2H2O"	-35.012676
"1387087"	361.2379	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H-H2O"	-17.0027
"284586"	757.488476	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+H"	1.007276
"676761"	1135.729076	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+H"	1.007276
"1352259"	379.247876	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H"	1.007276
"126122"	379.247876	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+2H"	2.014552
"577844"	568.368176	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+2H"	2.014552
"1049928"	190.127576	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2H"	2.014552
"213816"	253.167676	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+3H"	3.021828
"654107"	379.247876	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+3H"	3.021828
"1175515"	127.087476	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+3H"	3.021828
"433319"	774.515023	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+NH4"	18.033823
"792855"	1152.755623	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+NH4"	18.033823
"1689915"	396.274423	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+NH4"	18.033823
"340014"	387.7611495	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+H+NH4"	19.041099
"733529"	576.8814495	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+H+NH4"	19.041099
"1489537"	198.6408495	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H+NH4"	19.041099
"403844"	779.470418	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+Na"	22.989218
"768490"	1157.711018	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+Na"	22.989218
"1612948"	401.229818	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Na"	22.989218
"326993"	390.238847	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+H+Na"	23.996494
"716495"	579.359147	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+H+Na"	23.996494
"1469220"	201.118547	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H+Na"	23.996494
"1059187"	134.41479	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2H+Na"	25.00377
"1265238"	411.274086	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+CH3OH+H"	33.033486
"380532"	795.444358	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+K"	38.963158
"743715"	1173.684958	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+K"	38.963158
"1542850"	417.203758	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+K"	38.963158
"300028"	398.225817	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+H+K"	39.970434
"699744"	587.346117	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+H+K"	39.970434
"1450283"	209.105517	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H+K"	39.970434
"239979"	798.515026	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+ACN+H"	42.033826
"1214876"	420.274426	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+ACN+H"	42.033826
"1200948"	210.640851	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+ACN+2H"	43.041102
"202083"	801.45236	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+2Na-H"	44.97116
"643477"	1179.69296	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+2Na-H"	44.97116
"1146130"	423.21176	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2Na-H"	44.97116
"187838"	401.229818	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+2Na"	45.978436
"627152"	590.350118	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+2Na"	45.978436
"1130055"	212.109518	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2Na"	45.978436
"1413787"	141.742104	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H+2Na"	46.985712
"1445210"	425.253346	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H+HCOOH"	47.012746
"234292"	406.26284	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+3H2O+2H"	56.04448
"1521379"	439.30539	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+IsoProp+H"	61.06479
"423252"	409.216788	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+Na+K"	61.952376
"782793"	598.337088	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+Na+K"	61.952376
"1678029"	220.096488	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Na+K"	61.952376
"265641"	820.496968	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+ACN+Na"	64.015768
"1233978"	442.256368	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+ACN+Na"	64.015768
"1723959"	442.279893	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+NH4+HCOOH"	64.039293
"1188585"	149.069418	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+3Na"	68.967654
"1661398"	447.235288	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Na+HCOOH"	68.994688
"166070"	833.40024	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+2K-H"	76.91904
"599797"	1211.64084	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+2K-H"	76.91904
"1087953"	455.15964	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2K-H"	76.91904
"143676"	417.203758	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"2M+2K"	77.926316
"586515"	606.324058	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"3M+2K"	77.926316
"1073212"	228.083458	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2K"	77.926316
"1104234"	457.174192	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2K+H"	78.933592
"1339525"	457.261807	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+DMSO+H"	79.021207
"1009150"	461.300976	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2ACN+H"	83.060376
"1533846"	462.294608	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+IsoProp+Na+H"	84.054008
"995919"	231.154126	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+2ACN+2H"	84.067652
"1591515"	463.209228	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+K+HCOOH"	84.968628
"1419362"	493.240738	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+H+CF3COOH"	115.000138
"1156213"	251.667401	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+3ACN+2H"	125.094202
"1709049"	510.267285	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+NH4+CF3COOH"	132.026685
"1641419"	515.22268	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+Na+CF3COOH"	136.98208
"1575976"	531.19662	"C10320"	"Cornudentanone"	"C22H34O5"	"378.2406"	"M+K+CF3COOH"	152.95602
"811811"	155.0946	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M"	0
"982065"	136.07621	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-H2O-H"	-19.01839
"72494"	102.389124	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M-3H"	-3.021828
"508773"	154.087324	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M-3H"	-3.021828
"884391"	50.690924	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-3H"	-3.021828
"1871"	154.087324	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M-2H"	-2.014552
"447997"	231.634624	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M-2H"	-2.014552
"822520"	76.540024	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-2H"	-2.014552
"87979"	309.181924	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M-H"	-1.007276
"533376"	464.276524	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M-H"	-1.007276
"910206"	154.087324	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-H"	-1.007276
"57532"	326.208471	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M-2H+NH4"	16.019271
"499280"	481.303071	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M-2H+NH4"	16.019271
"874895"	171.113871	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-2H+NH4"	16.019271
"40609"	331.163866	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M-2H+Na"	20.974666
"477981"	486.258466	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M-2H+Na"	20.974666
"853595"	176.069266	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-2H+Na"	20.974666
"1628594"	176.069266	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Na-2H"	20.974666
"96743"	172.075663	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M-H+Cl"	33.962126
"541407"	249.622963	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M-H+Cl"	33.962126
"930548"	94.528363	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-H+Cl"	33.962126
"269104"	345.158602	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+Cl"	34.969402
"665902"	500.253202	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+Cl"	34.969402
"1279400"	190.064002	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Cl"	34.969402
"25238"	347.137806	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M-2H+K"	36.948606
"463704"	502.232406	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M-2H+K"	36.948606
"842601"	192.043206	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-2H+K"	36.948606
"1561711"	192.043206	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+K-2H"	36.948606
"947411"	200.092794	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-H+HCOOH"	44.998194
"363801"	355.187401	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+HCOOH-H"	44.998201
"350600"	369.203051	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+Hac-H"	59.013851
"1498342"	214.108451	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Hac-H"	59.013851
"963695"	222.074751	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-H+NaCOOH"	66.980151
"110785"	190.064002	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+2Cl"	69.938804
"552170"	267.611302	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+2Cl"	69.938804
"1022053"	112.516702	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2Cl"	69.938804
"1244920"	234.013485	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Br"	78.918885
"1306275"	236.069472	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Cl+HCOOH"	80.974872
"1323771"	258.051429	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Cl+NaCOOH"	102.956829
"913002"	268.080186	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M-H+CF3COOH"	112.985586
"1295175"	304.056864	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Cl+CF3COOH"	148.962264
"1368241"	120.081924	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H-2H2O"	-35.012676
"1387197"	138.0919	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H-H2O"	-17.0027
"283967"	311.196476	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+H"	1.007276
"676386"	466.291076	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+H"	1.007276
"1352729"	156.101876	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H"	1.007276
"126230"	156.101876	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+2H"	2.014552
"574675"	233.649176	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+2H"	2.014552
"1051131"	78.554576	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2H"	2.014552
"211740"	104.403676	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+3H"	3.021828
"656403"	156.101876	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+3H"	3.021828
"1174532"	52.705476	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+3H"	3.021828
"434522"	328.223023	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+NH4"	18.033823
"791872"	483.317623	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+NH4"	18.033823
"1688932"	173.128423	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+NH4"	18.033823
"339031"	164.6151495	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+H+NH4"	19.041099
"734732"	242.1624495	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+H+NH4"	19.041099
"1489647"	87.0678495	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H+NH4"	19.041099
"395205"	333.178418	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+Na"	22.989218
"768234"	488.273018	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+Na"	22.989218
"1613057"	178.083818	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Na"	22.989218
"328439"	167.092847	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+H+Na"	23.996494
"716605"	244.640147	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+H+Na"	23.996494
"1469330"	89.545547	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H+Na"	23.996494
"1059297"	60.03279	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2H+Na"	25.00377
"1264254"	188.128086	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+CH3OH+H"	33.033486
"381006"	349.152358	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+K"	38.963158
"743824"	504.246958	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+K"	38.963158
"1545147"	194.057758	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+K"	38.963158
"299406"	175.079817	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+H+K"	39.970434
"695479"	252.627117	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+H+K"	39.970434
"1450393"	97.532517	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H+K"	39.970434
"242275"	352.223026	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+ACN+H"	42.033826
"1214254"	197.128426	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+ACN+H"	42.033826
"1202151"	99.067851	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+ACN+2H"	43.041102
"200127"	355.16036	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+2Na-H"	44.97116
"643585"	510.25496	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+2Na-H"	44.97116
"1145630"	200.06576	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2Na-H"	44.97116
"187342"	178.083818	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+2Na"	45.978436
"626773"	255.631118	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+2Na"	45.978436
"1130407"	100.536518	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2Na"	45.978436
"1413775"	67.360104	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H+2Na"	46.985712
"1445077"	202.107346	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H+HCOOH"	47.012746
"234648"	183.11684	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+3H2O+2H"	56.04448
"1522218"	216.15939	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+IsoProp+H"	61.06479
"422269"	186.070788	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+Na+K"	61.952376
"781810"	263.618088	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+Na+K"	61.952376
"1678138"	108.523488	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Na+K"	61.952376
"265751"	374.204968	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+ACN+Na"	64.015768
"1234088"	219.110368	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+ACN+Na"	64.015768
"1722976"	219.133893	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+NH4+HCOOH"	64.039293
"1187602"	74.687418	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+3Na"	68.967654
"1658225"	224.089288	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Na+HCOOH"	68.994688
"160711"	387.10824	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+2K-H"	76.91904
"597839"	542.20284	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+2K-H"	76.91904
"1084782"	232.01364	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2K-H"	76.91904
"142692"	194.057758	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"2M+2K"	77.926316
"587717"	271.605058	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"3M+2K"	77.926316
"1076603"	116.510458	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2K"	77.926316
"1104343"	234.028192	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2K+H"	78.933592
"1339635"	234.115807	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+DMSO+H"	79.021207
"1010350"	238.154976	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2ACN+H"	83.060376
"1535049"	239.148608	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+IsoProp+Na+H"	84.054008
"998216"	119.581126	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+2ACN+2H"	84.067652
"1594905"	240.063228	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+K+HCOOH"	84.968628
"1422752"	270.094738	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+H+CF3COOH"	115.000138
"1157416"	140.094401	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+3ACN+2H"	125.094202
"1708066"	287.121285	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+NH4+CF3COOH"	132.026685
"1641529"	292.07668	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+Na+CF3COOH"	136.98208
"1574993"	308.05062	"C10321"	"Heliotridine"	"C8H13NO2"	"155.0946"	"M+K+CF3COOH"	152.95602
"814111"	242.0579	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M"	0
"984363"	223.03951	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-H2O-H"	-19.01839
"69324"	160.364657333333	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M-3H"	-3.021828
"513989"	241.050624	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M-3H"	-3.021828
"884501"	79.6786906666667	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-3H"	-3.021828
"881"	241.050624	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M-2H"	-2.014552
"454188"	362.079574	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M-2H"	-2.014552
"832483"	120.021674	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-2H"	-2.014552
"93197"	483.108524	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M-H"	-1.007276
"530933"	725.166424	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M-H"	-1.007276
"910197"	241.050624	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-H"	-1.007276
"55455"	500.135071	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M-2H+NH4"	16.019271
"497203"	742.192971	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M-2H+NH4"	16.019271
"873912"	258.077171	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-2H+NH4"	16.019271
"40719"	505.090466	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M-2H+Na"	20.974666
"484652"	747.148366	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M-2H+Na"	20.974666
"859174"	263.032566	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-2H+Na"	20.974666
"1625427"	263.032566	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Na-2H"	20.974666
"96490"	259.038963	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M-H+Cl"	33.962126
"537143"	380.067913	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M-H+Cl"	33.962126
"935033"	138.010013	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-H+Cl"	33.962126
"276871"	519.085202	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+Cl"	34.969402
"671483"	761.143102	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+Cl"	34.969402
"1280605"	277.027302	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Cl"	34.969402
"23162"	521.064406	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M-2H+K"	36.948606
"462724"	763.122306	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M-2H+K"	36.948606
"839430"	279.006506	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-2H+K"	36.948606
"1559638"	279.006506	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+K-2H"	36.948606
"948614"	287.056094	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-H+HCOOH"	44.998194
"367925"	529.114001	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+HCOOH-H"	44.998201
"352902"	543.129651	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+Hac-H"	59.013851
"1500643"	301.071751	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Hac-H"	59.013851
"968185"	309.038051	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-H+NaCOOH"	66.980151
"110895"	277.027302	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+2Cl"	69.938804
"551429"	398.056252	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+2Cl"	69.938804
"1026547"	155.998352	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2Cl"	69.938804
"1247220"	320.976785	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Br"	78.918885
"1308574"	323.032772	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Cl+HCOOH"	80.974872
"1322790"	345.014729	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Cl+NaCOOH"	102.956829
"913477"	355.043486	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M-H+CF3COOH"	112.985586
"1291649"	391.020164	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Cl+CF3COOH"	148.962264
"1378197"	207.045224	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H-2H2O"	-35.012676
"1387308"	225.0552	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H-H2O"	-17.0027
"285900"	485.123076	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+H"	1.007276
"676375"	727.180976	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+H"	1.007276
"1352119"	243.065176	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H"	1.007276
"127197"	243.065176	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+2H"	2.014552
"579163"	364.094126	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+2H"	2.014552
"1050880"	122.036226	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2H"	2.014552
"216960"	162.379209333333	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+3H"	3.021828
"657246"	243.065176	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+3H"	3.021828
"1174642"	81.6932426666667	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+3H"	3.021828
"438157"	502.149623	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+NH4"	18.033823
"797815"	744.207523	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+NH4"	18.033823
"1689773"	260.091723	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+NH4"	18.033823
"341329"	251.5784495	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+H+NH4"	19.041099
"733749"	372.6073995	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+H+NH4"	19.041099
"1489756"	130.5494995	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H+NH4"	19.041099
"400786"	507.105018	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+Na"	22.989218
"758501"	749.162918	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+Na"	22.989218
"1610977"	265.047118	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Na"	22.989218
"323201"	254.056147	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+H+Na"	23.996494
"708089"	375.085097	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+H+Na"	23.996494
"1466162"	133.027197	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H+Na"	23.996494
"1057221"	89.0205566666667	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2H+Na"	25.00377
"1258410"	275.091386	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+CH3OH+H"	33.033486
"377264"	523.078958	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+K"	38.963158
"739070"	765.136858	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+K"	38.963158
"1540636"	281.021058	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+K"	38.963158
"299877"	262.043117	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+H+K"	39.970434
"703247"	383.072067	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+H+K"	39.970434
"1454880"	141.014167	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H+K"	39.970434
"244576"	526.149626	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+ACN+H"	42.033826
"1218379"	284.091726	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+ACN+H"	42.033826
"1208460"	142.549501	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+ACN+2H"	43.041102
"203518"	529.08696	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+2Na-H"	44.97116
"643859"	771.14486	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+2Na-H"	44.97116
"1146757"	287.02906	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2Na-H"	44.97116
"187688"	265.047118	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+2Na"	45.978436
"628226"	386.076068	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+2Na"	45.978436
"1131208"	144.018168	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2Na"	45.978436
"1413922"	96.3478706666667	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H+2Na"	46.985712
"1445147"	289.070646	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H+HCOOH"	47.012746
"234633"	270.08014	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+3H2O+2H"	56.04448
"1523788"	303.12269	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+IsoProp+H"	61.06479
"420559"	273.034088	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+Na+K"	61.952376
"784107"	394.063038	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+Na+K"	61.952376
"1679344"	152.005138	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Na+K"	61.952376
"266592"	548.131568	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+ACN+Na"	64.015768
"1236388"	306.073668	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+ACN+Na"	64.015768
"1721996"	306.097193	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+NH4+HCOOH"	64.039293
"1187350"	103.675184666667	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+3Na"	68.967654
"1657246"	311.052588	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Na+HCOOH"	68.994688
"165198"	561.03484	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+2K-H"	76.91904
"602572"	803.09274	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+2K-H"	76.91904
"1087810"	318.97694	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2K-H"	76.91904
"142437"	281.021058	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"2M+2K"	77.926316
"584549"	402.050008	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"3M+2K"	77.926316
"1077808"	159.992108	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2K"	77.926316
"1102755"	320.991492	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2K+H"	78.933592
"1337803"	321.079107	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+DMSO+H"	79.021207
"1008275"	325.118276	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2ACN+H"	83.060376
"1535163"	326.111908	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+IsoProp+Na+H"	84.054008
"1001608"	163.062776	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+2ACN+2H"	84.067652
"1598298"	327.026528	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+K+HCOOH"	84.968628
"1421770"	357.058038	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+H+CF3COOH"	115.000138
"1154247"	183.576051	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+3ACN+2H"	125.094202
"1705988"	374.084585	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+NH4+CF3COOH"	132.026685
"1643826"	379.03998	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+Na+CF3COOH"	136.98208
"1575103"	395.01392	"C10322"	"Cyperaquinone;3-Methyl-6-prop-1-en-2-ylfuro32-f1benzofuran-48-dione"	"C14H10O4"	"242.0579"	"M+K+CF3COOH"	152.95602
"810938"	284.0685	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M"	0
"989455"	265.05011	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"77334"	188.371724	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"512276"	283.061224	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"885704"	93.682224	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"5372"	283.061224	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"453689"	425.095474	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"832311"	141.026974	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"93842"	567.129724	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"531043"	851.198224	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"909576"	283.061224	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"59940"	584.156271	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"501326"	868.224771	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"878276"	300.087771	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"45204"	589.111666	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"482576"	873.180166	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"860377"	305.043166	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1627724"	305.043166	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"97328"	301.049563	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"537254"	443.083813	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"934050"	159.015313	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"274795"	603.106402	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"667216"	887.174902	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1276339"	319.037902	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"26550"	605.085606	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"463927"	889.154106	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"839541"	321.017106	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1560841"	321.017106	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"948723"	329.066694	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"371313"	613.135201	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"350823"	627.150851	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1495285"	343.082351	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"962825"	351.048651	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"110884"	319.037902	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"554577"	461.072152	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1026657"	177.003652	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1247330"	362.987385	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1307955"	365.043372	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1325087"	387.025329	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"912863"	397.054086	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1291029"	433.030764	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1378671"	249.055824	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1387418"	267.0658	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"286010"	569.144276	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"676244"	853.212776	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1352958"	285.075776	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"128767"	285.075776	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"569059"	427.110026	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1051355"	143.041526	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"218528"	190.386276	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"657721"	285.075776	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1175845"	95.696776	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"435835"	586.170823	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"792458"	870.239323	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1692067"	302.102323	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"337066"	293.5890495	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"730580"	435.6232995	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1484398"	151.5547995	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"403084"	591.126218	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"762986"	875.194718	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1611087"	307.057718	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"323311"	296.066747	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"708563"	438.100997	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1466272"	154.032497	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1057331"	103.02409	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1258278"	317.101986	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"377580"	607.100158	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"738610"	891.168658	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1540337"	323.031658	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"299618"	304.053717	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"704086"	446.087967	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1457177"	162.019467	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"244685"	610.170826	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1214114"	326.102326	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1207112"	163.554801	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"201441"	613.10816	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"644047"	897.17666	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1146955"	329.03966	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"185611"	307.057718	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"624077"	449.091968	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1127582"	165.023468	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1412930"	110.351404	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1445350"	331.081246	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"235570"	312.09074	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1521709"	345.13329	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"421030"	315.044688	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"783851"	457.078938	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1678362"	173.010438	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"266336"	632.152768	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1233218"	348.084268	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1723198"	348.107793	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1187460"	117.678718	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1659541"	353.063188	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"164214"	645.05604	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"603775"	929.12454	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1086097"	360.98754	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"147287"	323.031658	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"582837"	465.065908	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1073543"	180.997408	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1101650"	363.002092	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1339856"	363.089707	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1008022"	367.128876	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1525423"	368.122508	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"995157"	184.068076	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1592939"	369.037128	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1420787"	399.068638	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1155450"	204.581351	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1706099"	416.095185	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1643937"	421.05058	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1578493"	437.02452	"C10323"	"Cypripedin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"812141"	313.1889	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M"	0
"988597"	294.17051	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-H2O-H"	-19.01839
"77080"	207.785324	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M-3H"	-3.021828
"513116"	312.181624	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M-3H"	-3.021828
"886908"	103.389024	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-3H"	-3.021828
"4389"	312.181624	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M-2H"	-2.014552
"454164"	468.776074	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M-2H"	-2.014552
"832661"	155.587174	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-2H"	-2.014552
"94112"	625.370524	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M-H"	-1.007276
"530060"	938.559424	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M-H"	-1.007276
"909808"	312.181624	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-H"	-1.007276
"57863"	642.397071	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M-2H+NH4"	16.019271
"501071"	955.585971	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M-2H+NH4"	16.019271
"878143"	329.208171	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-2H+NH4"	16.019271
"44220"	647.352466	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M-2H+Na"	20.974666
"483780"	960.541366	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M-2H+Na"	20.974666
"858301"	334.163566	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-2H+Na"	20.974666
"1625647"	334.163566	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Na-2H"	20.974666
"96710"	330.169963	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M-H+Cl"	33.962126
"536270"	486.764413	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M-H+Cl"	33.962126
"934160"	173.575513	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-H+Cl"	33.962126
"274904"	661.347202	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+Cl"	34.969402
"669513"	974.536102	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+Cl"	34.969402
"1276449"	348.158302	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Cl"	34.969402
"24473"	663.326406	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M-2H+K"	36.948606
"462944"	976.515306	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M-2H+K"	36.948606
"838558"	350.137506	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-2H+K"	36.948606
"1559858"	350.137506	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+K-2H"	36.948606
"947740"	358.187094	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-H+HCOOH"	44.998194
"371423"	671.376001	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+HCOOH-H"	44.998201
"352026"	685.391651	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+Hac-H"	59.013851
"1496488"	372.202751	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Hac-H"	59.013851
"962935"	380.169051	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-H+NaCOOH"	66.980151
"110873"	348.158302	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+2Cl"	69.938804
"554687"	504.752752	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+2Cl"	69.938804
"1023487"	191.563852	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2Cl"	69.938804
"1247440"	392.107785	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Br"	78.918885
"1307699"	394.163772	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Cl+HCOOH"	80.974872
"1324104"	416.145729	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Cl+NaCOOH"	102.956829
"914066"	426.174486	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M-H+CF3COOH"	112.985586
"1291139"	462.151164	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Cl+CF3COOH"	148.962264
"1378781"	278.176224	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H-2H2O"	-35.012676
"1386435"	296.1862	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H-H2O"	-17.0027
"286120"	627.385076	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+H"	1.007276
"676353"	940.573976	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+H"	1.007276
"1351405"	314.196176	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H"	1.007276
"125733"	314.196176	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+2H"	2.014552
"567712"	470.790626	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+2H"	2.014552
"1039422"	157.601726	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2H"	2.014552
"219247"	209.799876	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+3H"	3.021828
"659653"	314.196176	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+3H"	3.021828
"1175954"	105.403576	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+3H"	3.021828
"435946"	644.411623	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+NH4"	18.033823
"793661"	957.600523	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+NH4"	18.033823
"1693270"	331.222723	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+NH4"	18.033823
"338269"	322.7094495	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+H+NH4"	19.041099
"730691"	479.3038995	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+H+NH4"	19.041099
"1484508"	166.1149995	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H+NH4"	19.041099
"403924"	649.367018	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+Na"	22.989218
"763096"	962.555918	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+Na"	22.989218
"1612290"	336.178118	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Na"	22.989218
"324515"	325.187147	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+H+Na"	23.996494
"710375"	481.781597	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+H+Na"	23.996494
"1466382"	168.592697	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H+Na"	23.996494
"1057441"	112.73089	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2H+Na"	25.00377
"1258752"	346.222386	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+CH3OH+H"	33.033486
"377366"	665.340958	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+K"	38.963158
"738512"	978.529858	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+K"	38.963158
"1540163"	352.152058	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+K"	38.963158
"298795"	333.174117	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+H+K"	39.970434
"697997"	489.768567	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+H+K"	39.970434
"1456923"	176.579667	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H+K"	39.970434
"242608"	668.411626	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+ACN+H"	42.033826
"1214222"	355.222726	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+ACN+H"	42.033826
"1204306"	178.115001	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+ACN+2H"	43.041102
"201551"	671.34896	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+2Na-H"	44.97116
"643665"	984.53786	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+2Na-H"	44.97116
"1147025"	358.16006	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2Na-H"	44.97116
"185721"	336.178118	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+2Na"	45.978436
"624187"	492.772568	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+2Na"	45.978436
"1129515"	179.583668	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2Na"	45.978436
"1414150"	120.058204	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H+2Na"	46.985712
"1443333"	360.201646	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H+HCOOH"	47.012746
"235341"	341.21114	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+3H2O+2H"	56.04448
"1521819"	374.25369	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+IsoProp+H"	61.06479
"420776"	344.165088	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+Na+K"	61.952376
"783961"	500.759538	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+Na+K"	61.952376
"1676282"	187.570638	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Na+K"	61.952376
"266446"	690.393568	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+ACN+Na"	64.015768
"1233328"	377.204668	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+ACN+Na"	64.015768
"1723308"	377.228193	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+NH4+HCOOH"	64.039293
"1187570"	127.385518	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+3Na"	68.967654
"1659651"	382.183588	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Na+HCOOH"	68.994688
"164324"	703.29684	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+2K-H"	76.91904
"604978"	1016.48574	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+2K-H"	76.91904
"1085114"	390.10794	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2K-H"	76.91904
"146304"	352.152058	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"2M+2K"	77.926316
"582583"	508.746508	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"3M+2K"	77.926316
"1070009"	195.557608	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2K"	77.926316
"1101398"	392.122492	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2K+H"	78.933592
"1338506"	392.210107	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+DMSO+H"	79.021207
"1008496"	396.249276	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2ACN+H"	83.060376
"1526626"	397.242908	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+IsoProp+Na+H"	84.054008
"1000007"	198.628276	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+2ACN+2H"	84.067652
"1595237"	398.157528	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+K+HCOOH"	84.968628
"1420897"	428.189038	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+H+CF3COOH"	115.000138
"1155560"	219.141551	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+3ACN+2H"	125.094202
"1702928"	445.215585	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+NH4+CF3COOH"	132.026685
"1644047"	450.17098	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+Na+CF3COOH"	136.98208
"1578603"	466.14492	"C10324"	"Heliotrine;9-Heliotrylheliotridine"	"C16H27NO5"	"313.1889"	"M+K+CF3COOH"	152.95602
"812251"	226.0994	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M"	0
"989435"	207.08101	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-H2O-H"	-19.01839
"77804"	149.725657333333	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M-3H"	-3.021828
"518209"	225.092124	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M-3H"	-3.021828
"890298"	74.3591906666667	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-3H"	-3.021828
"9966"	225.092124	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M-2H"	-2.014552
"455128"	338.141824	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M-2H"	-2.014552
"832447"	112.042424	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-2H"	-2.014552
"93411"	451.191524	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M-H"	-1.007276
"530170"	677.290924	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M-H"	-1.007276
"906881"	225.092124	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-H"	-1.007276
"62235"	468.218071	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M-2H+NH4"	16.019271
"501182"	694.317471	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M-2H+NH4"	16.019271
"878013"	242.118671	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-2H+NH4"	16.019271
"45912"	473.173466	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M-2H+Na"	20.974666
"481704"	699.272866	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M-2H+Na"	20.974666
"860599"	247.074066	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-2H+Na"	20.974666
"1629038"	247.074066	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Na-2H"	20.974666
"100100"	243.080463	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M-H+Cl"	33.962126
"540755"	356.130163	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M-H+Cl"	33.962126
"933177"	130.030763	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-H+Cl"	33.962126
"275016"	487.168202	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+Cl"	34.969402
"669624"	713.267602	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+Cl"	34.969402
"1277655"	261.068802	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Cl"	34.969402
"26773"	489.147406	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M-2H+K"	36.948606
"470102"	715.246806	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M-2H+K"	36.948606
"841948"	263.048006	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-2H+K"	36.948606
"1562156"	263.048006	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+K-2H"	36.948606
"950039"	271.097594	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-H+HCOOH"	44.998194
"366066"	497.197001	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+HCOOH-H"	44.998201
"353230"	511.212651	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+Hac-H"	59.013851
"1502065"	285.113251	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Hac-H"	59.013851
"965232"	293.079551	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-H+NaCOOH"	66.980151
"110736"	261.068802	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+2Cl"	69.938804
"558077"	374.118502	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+2Cl"	69.938804
"1026877"	148.019102	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2Cl"	69.938804
"1247550"	305.018285	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Br"	78.918885
"1314370"	307.074272	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Cl+HCOOH"	80.974872
"1334054"	329.056229	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Cl+NaCOOH"	102.956829
"915270"	339.084986	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M-H+CF3COOH"	112.985586
"1294165"	375.061664	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Cl+CF3COOH"	148.962264
"1379984"	191.086724	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H-2H2O"	-35.012676
"1386545"	209.0967	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H-H2O"	-17.0027
"288417"	453.206076	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+H"	1.007276
"677556"	679.305476	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+H"	1.007276
"1352568"	227.106676	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H"	1.007276
"127400"	227.106676	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+2H"	2.014552
"570738"	340.156376	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+2H"	2.014552
"1039901"	114.056976	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2H"	2.014552
"219599"	151.740209333333	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+3H"	3.021828
"658672"	227.106676	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+3H"	3.021828
"1178212"	76.3737426666667	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+3H"	3.021828
"438243"	470.232623	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+NH4"	18.033823
"798146"	696.332023	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+NH4"	18.033823
"1690100"	244.133223	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+NH4"	18.033823
"342751"	235.6199495	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+H+NH4"	19.041099
"734081"	348.6696495	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+H+NH4"	19.041099
"1487899"	122.5702495	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H+NH4"	19.041099
"406222"	475.188018	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+Na"	22.989218
"767947"	701.287418	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+Na"	22.989218
"1613497"	249.088618	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Na"	22.989218
"324627"	238.097647	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+H+Na"	23.996494
"718140"	351.147347	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+H+Na"	23.996494
"1473053"	125.047947	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H+Na"	23.996494
"1060831"	83.7010566666667	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2H+Na"	25.00377
"1260320"	259.132886	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+CH3OH+H"	33.033486
"382176"	491.161958	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+K"	38.963158
"740984"	717.261358	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+K"	38.963158
"1541942"	265.062558	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+K"	38.963158
"303493"	246.084617	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+H+K"	39.970434
"698106"	359.134317	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+H+K"	39.970434
"1446821"	133.034917	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H+K"	39.970434
"244904"	494.232626	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+ACN+H"	42.033826
"1215425"	268.133226	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+ACN+H"	42.033826
"1204052"	134.570251	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+ACN+2H"	43.041102
"195463"	497.16996	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+2Na-H"	44.97116
"640494"	723.26936	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+2Na-H"	44.97116
"1142176"	271.07056	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2Na-H"	44.97116
"186195"	249.088618	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+2Na"	45.978436
"627091"	362.138318	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+2Na"	45.978436
"1130478"	136.038918	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2Na"	45.978436
"1413642"	91.0283706666667	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H+2Na"	46.985712
"1445272"	273.112146	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H+HCOOH"	47.012746
"233510"	254.12164	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+3H2O+2H"	56.04448
"1523028"	287.16419	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+IsoProp+H"	61.06479
"421983"	257.075588	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+Na+K"	61.952376
"782982"	370.125288	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+Na+K"	61.952376
"1680406"	144.025888	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Na+K"	61.952376
"265468"	516.214568	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+ACN+Na"	64.015768
"1232344"	290.115168	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+ACN+Na"	64.015768
"1720138"	290.138693	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+NH4+HCOOH"	64.039293
"1184762"	98.3556846666667	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+3Na"	68.967654
"1657208"	295.094088	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Na+HCOOH"	68.994688
"163706"	529.11784	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+2K-H"	76.91904
"603266"	755.21724	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+2K-H"	76.91904
"1085224"	303.01844	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2K-H"	76.91904
"143134"	265.062558	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"2M+2K"	77.926316
"582204"	378.112258	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"3M+2K"	77.926316
"1072675"	152.012858	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2K"	77.926316
"1100331"	305.032992	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2K+H"	78.933592
"1335946"	305.120607	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+DMSO+H"	79.021207
"1005974"	309.159776	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2ACN+H"	83.060376
"1526736"	310.153408	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+IsoProp+Na+H"	84.054008
"996468"	155.083526	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+2ACN+2H"	84.067652
"1597532"	311.068028	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+K+HCOOH"	84.968628
"1422098"	341.099538	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+H+CF3COOH"	115.000138
"1155670"	175.596801	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+3ACN+2H"	125.094202
"1703038"	358.126085	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+NH4+CF3COOH"	132.026685
"1646344"	363.08148	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+Na+CF3COOH"	136.98208
"1578713"	379.05542	"C10325"	"Deoxylapachol"	"C15H14O2"	"226.0994"	"M+K+CF3COOH"	152.95602
"811268"	299.1733	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M"	0
"989665"	280.15491	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-H2O-H"	-19.01839
"74138"	198.441590666667	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M-3H"	-3.021828
"517833"	298.166024	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M-3H"	-3.021828
"890408"	98.7171573333333	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-3H"	-3.021828
"11169"	298.166024	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M-2H"	-2.014552
"454993"	447.752674	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M-2H"	-2.014552
"831587"	148.579374	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-2H"	-2.014552
"93769"	597.339324	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M-H"	-1.007276
"532350"	896.512624	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M-H"	-1.007276
"908451"	298.166024	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-H"	-1.007276
"60883"	614.365871	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M-2H+NH4"	16.019271
"498739"	913.539171	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M-2H+NH4"	16.019271
"876419"	315.192571	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-2H+NH4"	16.019271
"44929"	619.321266	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M-2H+Na"	20.974666
"482908"	918.494566	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M-2H+Na"	20.974666
"862413"	320.147966	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-2H+Na"	20.974666
"1631335"	320.147966	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Na-2H"	20.974666
"101303"	316.154363	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M-H+Cl"	33.962126
"543051"	465.741013	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M-H+Cl"	33.962126
"931100"	166.567713	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-H+Cl"	33.962126
"278406"	633.316002	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+Cl"	34.969402
"666453"	932.489302	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+Cl"	34.969402
"1279951"	334.142702	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Cl"	34.969402
"29677"	635.295206	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M-2H+K"	36.948606
"469848"	934.468506	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M-2H+K"	36.948606
"842058"	336.121906	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-2H+K"	36.948606
"1563360"	336.121906	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+K-2H"	36.948606
"950150"	344.171494	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-H+HCOOH"	44.998194
"371646"	643.344801	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+HCOOH-H"	44.998201
"356621"	657.360451	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+Hac-H"	59.013851
"1502175"	358.187151	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Hac-H"	59.013851
"971902"	366.153451	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-H+NaCOOH"	66.980151
"114252"	334.142702	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+2Cl"	69.938804
"558187"	483.729352	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+2Cl"	69.938804
"1026987"	184.556052	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2Cl"	69.938804
"1250940"	378.092185	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Br"	78.918885
"1314480"	380.148172	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Cl+HCOOH"	80.974872
"1333071"	402.130129	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Cl+NaCOOH"	102.956829
"915380"	412.158886	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M-H+CF3COOH"	112.985586
"1292453"	448.135564	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Cl+CF3COOH"	148.962264
"1379001"	264.160624	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H-2H2O"	-35.012676
"1386655"	282.1706	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H-H2O"	-17.0027
"288527"	599.353876	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+H"	1.007276
"678030"	898.527176	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+H"	1.007276
"1353285"	300.180576	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H"	1.007276
"128362"	300.180576	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+2H"	2.014552
"571942"	449.767226	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+2H"	2.014552
"1038545"	150.593926	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2H"	2.014552
"213016"	200.456142666667	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+3H"	3.021828
"659798"	300.180576	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+3H"	3.021828
"1176541"	100.731709333333	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+3H"	3.021828
"436166"	616.380423	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+NH4"	18.033823
"796066"	915.553723	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+NH4"	18.033823
"1690209"	317.207123	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+NH4"	18.033823
"339583"	308.6938495	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+H+NH4"	19.041099
"729814"	458.2804995	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+H+NH4"	19.041099
"1488009"	159.1071995	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H+NH4"	19.041099
"401227"	621.335818	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+Na"	22.989218
"768424"	920.509118	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+Na"	22.989218
"1616159"	322.162518	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Na"	22.989218
"326196"	311.171547	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+H+Na"	23.996494
"718250"	460.758197	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+H+Na"	23.996494
"1473163"	161.584897	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H+Na"	23.996494
"1060941"	108.059023333333	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2H+Na"	25.00377
"1261524"	332.206786	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+CH3OH+H"	33.033486
"382287"	637.309758	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+K"	38.963158
"740365"	936.483058	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+K"	38.963158
"1541081"	338.136458	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+K"	38.963158
"303604"	319.158517	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+H+K"	39.970434
"698216"	468.745167	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+H+K"	39.970434
"1447172"	169.571867	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H+K"	39.970434
"242827"	640.380426	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+ACN+H"	42.033826
"1214442"	341.207126	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+ACN+H"	42.033826
"1200515"	171.107201	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+ACN+2H"	43.041102
"195573"	643.31776	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+2Na-H"	44.97116
"640968"	942.49106	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+2Na-H"	44.97116
"1139734"	344.14446	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2Na-H"	44.97116
"185577"	322.162518	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+2Na"	45.978436
"626595"	471.749168	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+2Na"	45.978436
"1130837"	172.575868	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2Na"	45.978436
"1413754"	115.386337333333	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H+2Na"	46.985712
"1443558"	346.186046	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H+HCOOH"	47.012746
"233619"	327.19554	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+3H2O+2H"	56.04448
"1522774"	360.23809	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+IsoProp+H"	61.06479
"422097"	330.149488	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+Na+K"	61.952376
"783092"	479.736138	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+Na+K"	61.952376
"1679789"	180.562838	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Na+K"	61.952376
"265578"	662.362368	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+ACN+Na"	64.015768
"1233183"	363.189068	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+ACN+Na"	64.015768
"1720250"	363.212593	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+NH4+HCOOH"	64.039293
"1185238"	122.713651333333	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+3Na"	68.967654
"1656588"	368.167988	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Na+HCOOH"	68.994688
"163816"	675.26564	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+2K-H"	76.91904
"600824"	974.43894	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+2K-H"	76.91904
"1085329"	376.09234	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2K-H"	76.91904
"146524"	338.136458	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"2M+2K"	77.926316
"582435"	487.723108	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"3M+2K"	77.926316
"1074972"	188.549808	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2K"	77.926316
"1103807"	378.106892	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2K+H"	78.933592
"1340191"	378.194507	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+DMSO+H"	79.021207
"1010908"	382.233676	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2ACN+H"	83.060376
"1524330"	383.227308	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+IsoProp+Na+H"	84.054008
"990377"	191.620476	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+2ACN+2H"	84.067652
"1597642"	384.141928	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+K+HCOOH"	84.968628
"1418926"	414.173438	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+H+CF3COOH"	115.000138
"1155780"	212.133751	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+3ACN+2H"	125.094202
"1703148"	431.199985	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+NH4+CF3COOH"	132.026685
"1648641"	436.15538	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+Na+CF3COOH"	136.98208
"1578823"	452.12932	"C10326"	"Indicine"	"C15H25NO5"	"299.1733"	"M+K+CF3COOH"	152.95602
"817024"	254.0579	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M"	0
"987100"	235.03951	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"78487"	168.364657333333	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"516727"	253.050624	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"890518"	83.6786906666667	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"4718"	253.050624	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"455221"	380.079574	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"832635"	126.021674	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"93480"	507.108524	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"531491"	761.166424	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"910268"	253.050624	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"60388"	524.135071	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"501044"	778.192971	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"877748"	270.077171	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"45890"	529.090466	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"483019"	783.148366	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"858633"	275.032566	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1625979"	275.032566	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"99229"	271.038963	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"540249"	398.067913	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"937773"	144.010013	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"279611"	543.085202	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"669844"	797.143102	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1283346"	289.027302	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"26996"	545.064406	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"468744"	799.122306	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"843261"	291.006506	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1570032"	291.006506	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"952447"	299.056094	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"372854"	553.114001	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"357829"	567.129651	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1505202"	313.071751	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"968731"	321.038051	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"125066"	289.027302	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"564497"	416.056252	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1036666"	161.998352	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1256160"	332.976785	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1319259"	335.032772	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1333552"	357.014729	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"926071"	367.043486	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1302782"	403.020164	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1379113"	219.045224	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1392234"	237.0552	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"289732"	509.123076	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"681062"	763.180976	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1357410"	255.065176	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"126651"	255.065176	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"575335"	382.094126	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1042310"	128.036226	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"213126"	170.379209333333	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"659133"	255.065176	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1178453"	85.6932426666667	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"439946"	526.149623	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"800797"	780.207523	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1692510"	272.091723	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"345609"	263.5784495	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"735396"	390.6073995	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1487029"	136.5494995	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"398056"	531.105018	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"764519"	785.162918	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1616999"	277.047118	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"328855"	266.056147	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"718361"	393.085097	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1469993"	139.027197	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1065426"	93.0205566666667	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1261637"	287.091386	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"384585"	547.078958	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"743392"	801.136858	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1541434"	293.021058	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"301890"	274.043117	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"700516"	401.072067	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1452148"	147.014167	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"240751"	550.149626	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1222576"	296.091726	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1200626"	148.549501	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"202976"	553.08696	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"643509"	807.14486	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1146171"	299.02906	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"187881"	277.047118	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"628256"	404.076068	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1130339"	150.018168	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1413505"	100.347870666667	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1444397"	301.070646	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"235228"	282.08014	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1523131"	315.12269	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"421475"	285.034088	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"783204"	412.063038	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1671147"	158.005138	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"260947"	572.131568	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1231470"	318.073668	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1722912"	318.097193	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1186806"	107.675184666667	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1660344"	323.052588	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"168666"	585.03484	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"608226"	839.09274	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1093099"	330.97694	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"147729"	293.021058	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"588382"	420.050008	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1079821"	165.992108	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1103916"	332.991492	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1343581"	333.079107	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1012111"	337.118276	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1537897"	338.111908	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1004954"	169.062776	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1599576"	339.026528	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1426693"	369.058038	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1161357"	189.576051	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1703258"	386.084585	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1648751"	391.03998	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1578933"	407.01392	"C10327"	"Digiferrugineol;1-Hydroxy-2-hydroxymethylanthraquinone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"811488"	335.1733	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M"	0
"982835"	316.15491	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-H2O-H"	-19.01839
"68890"	222.441590666667	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M-3H"	-3.021828
"509544"	334.166024	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M-3H"	-3.021828
"890628"	110.717157333333	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-3H"	-3.021828
"4828"	334.166024	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M-2H"	-2.014552
"452777"	501.752674	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M-2H"	-2.014552
"832698"	166.579374	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-2H"	-2.014552
"94059"	669.339324	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M-H"	-1.007276
"529407"	1004.512624	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M-H"	-1.007276
"908305"	334.166024	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-H"	-1.007276
"62802"	686.365871	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M-2H+NH4"	16.019271
"502323"	1021.539171	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M-2H+NH4"	16.019271
"878949"	351.192571	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-2H+NH4"	16.019271
"45756"	691.321266	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M-2H+Na"	20.974666
"486290"	1026.494566	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M-2H+Na"	20.974666
"859838"	356.147966	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-2H+Na"	20.974666
"1631924"	356.147966	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Na-2H"	20.974666
"101524"	352.154363	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M-H+Cl"	33.962126
"541087"	519.741013	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M-H+Cl"	33.962126
"936790"	184.567713	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-H+Cl"	33.962126
"276441"	705.316002	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+Cl"	34.969402
"666674"	1040.489302	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+Cl"	34.969402
"1276895"	370.142702	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Cl"	34.969402
"24919"	707.295206	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M-2H+K"	36.948606
"465571"	1042.468506	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M-2H+K"	36.948606
"841185"	372.121906	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-2H+K"	36.948606
"1569049"	372.121906	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+K-2H"	36.948606
"952556"	380.171494	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-H+HCOOH"	44.998194
"372964"	715.344801	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+HCOOH-H"	44.998201
"359030"	729.360451	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+Hac-H"	59.013851
"1504583"	394.187151	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Hac-H"	59.013851
"972731"	402.153451	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-H+NaCOOH"	66.980151
"125050"	370.142702	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+2Cl"	69.938804
"564607"	537.729352	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+2Cl"	69.938804
"1036570"	202.556052	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2Cl"	69.938804
"1255907"	414.092185	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Br"	78.918885
"1318721"	416.148172	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Cl+HCOOH"	80.974872
"1332933"	438.130129	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Cl+NaCOOH"	102.956829
"925815"	448.158886	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M-H+CF3COOH"	112.985586
"1301433"	484.135564	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Cl+CF3COOH"	148.962264
"1381409"	300.160624	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H-2H2O"	-35.012676
"1392344"	318.1706	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H-H2O"	-17.0027
"294215"	671.353876	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+H"	1.007276
"681172"	1006.527176	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+H"	1.007276
"1355334"	336.180576	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H"	1.007276
"127855"	336.180576	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+2H"	2.014552
"568510"	503.767226	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+2H"	2.014552
"1042419"	168.593926	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2H"	2.014552
"210320"	224.456142666667	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+3H"	3.021828
"659000"	336.180576	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+3H"	3.021828
"1177491"	112.731709333333	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+3H"	3.021828
"439903"	688.380423	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+NH4"	18.033823
"796288"	1023.553723	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+NH4"	18.033823
"1696996"	353.207123	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+NH4"	18.033823
"345521"	344.6938495	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+H+NH4"	19.041099
"737574"	512.2804995	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+H+NH4"	19.041099
"1486045"	177.1071995	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H+NH4"	19.041099
"400354"	693.335818	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+Na"	22.989218
"762443"	1028.509118	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+Na"	22.989218
"1617106"	358.162518	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Na"	22.989218
"322768"	347.171547	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+H+Na"	23.996494
"717378"	514.758197	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+H+Na"	23.996494
"1469010"	179.584897	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H+Na"	23.996494
"1065536"	120.059023333333	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2H+Na"	25.00377
"1261747"	368.206786	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+CH3OH+H"	33.033486
"386882"	709.309758	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+K"	38.963158
"742411"	1044.483058	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+K"	38.963158
"1544463"	374.136458	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+K"	38.963158
"301639"	355.158517	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+H+K"	39.970434
"700626"	522.745167	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+H+K"	39.970434
"1451165"	187.571867	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H+K"	39.970434
"240862"	712.380426	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+ACN+H"	42.033826
"1223050"	377.207126	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+ACN+H"	42.033826
"1207297"	189.107201	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+ACN+2H"	43.041102
"203696"	715.31776	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+2Na-H"	44.97116
"643748"	1050.49106	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+2Na-H"	44.97116
"1146924"	380.14446	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2Na-H"	44.97116
"187756"	358.162518	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+2Na"	45.978436
"628161"	525.749168	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+2Na"	45.978436
"1130458"	190.575868	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2Na"	45.978436
"1413127"	127.386337333333	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H+2Na"	46.985712
"1443781"	382.186046	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H+HCOOH"	47.012746
"234568"	363.19554	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+3H2O+2H"	56.04448
"1522632"	396.23809	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+IsoProp+H"	61.06479
"422315"	366.149488	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+Na+K"	61.952376
"784403"	533.736138	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+Na+K"	61.952376
"1680734"	198.562838	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Na+K"	61.952376
"259964"	734.362368	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+ACN+Na"	64.015768
"1232674"	399.189068	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+ACN+Na"	64.015768
"1723750"	399.212593	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+NH4+HCOOH"	64.039293
"1190561"	134.713651333333	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+3Na"	68.967654
"1660454"	404.167988	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Na+HCOOH"	68.994688
"166951"	747.26564	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+2K-H"	76.91904
"609792"	1082.43894	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+2K-H"	76.91904
"1096493"	412.09234	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2K-H"	76.91904
"154405"	374.136458	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"2M+2K"	77.926316
"591409"	541.723108	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"3M+2K"	77.926316
"1082728"	206.549808	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2K"	77.926316
"1113753"	414.106892	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2K+H"	78.933592
"1345517"	414.194507	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+DMSO+H"	79.021207
"1016233"	418.233676	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2ACN+H"	83.060376
"1535451"	419.227308	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+IsoProp+Na+H"	84.054008
"991691"	209.620476	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+2ACN+2H"	84.067652
"1591301"	420.141928	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+K+HCOOH"	84.968628
"1418053"	450.173438	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+H+CF3COOH"	115.000138
"1155998"	230.133751	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+3ACN+2H"	125.094202
"1703368"	467.199985	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+NH4+CF3COOH"	132.026685
"1648861"	472.15538	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+Na+CF3COOH"	136.98208
"1579043"	488.12932	"C10328"	"Integerrimine"	"C18H25NO5"	"335.1733"	"M+K+CF3COOH"	152.95602
"811598"	254.0579	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M"	0
"985132"	235.03951	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"72280"	168.364657333333	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"509654"	253.050624	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"887458"	83.6786906666667	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"4938"	253.050624	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"441581"	380.079574	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"831306"	126.021674	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"93121"	507.108524	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"533044"	761.166424	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"909754"	253.050624	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"61457"	524.135071	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"501380"	778.192971	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"879887"	270.077171	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"47019"	529.090466	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"487073"	783.148366	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"862990"	275.032566	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1633008"	275.032566	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"102728"	271.038963	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"542292"	398.067913	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"940545"	144.010013	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"276551"	543.085202	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"670064"	797.143102	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1277005"	289.027302	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"26122"	545.064406	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"465681"	799.122306	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"839108"	291.006506	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1569889"	291.006506	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"952666"	299.056094	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"374168"	553.114001	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"356953"	567.129651	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1506153"	313.071751	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"971139"	321.038051	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"125166"	289.027302	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"564477"	416.056252	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1036886"	161.998352	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1256380"	332.976785	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1318711"	335.032772	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1333043"	357.014729	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"926655"	367.043486	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1301906"	403.020164	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1376052"	219.045224	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1386987"	237.0552	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"291045"	509.123076	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"681282"	763.180976	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1355443"	255.065176	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"127601"	255.065176	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"571175"	382.094126	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1042529"	128.036226	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"213346"	170.379209333333	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"657895"	255.065176	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1177724"	85.6932426666667	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"439417"	526.149623	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"796035"	780.207523	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1696466"	272.091723	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"345024"	263.5784495	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"736835"	390.6073995	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1488340"	136.5494995	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"398273"	531.105018	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"760364"	785.162918	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1616122"	277.047118	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"321784"	266.056147	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"718944"	393.085097	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1474589"	139.027197	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1063094"	93.0205566666667	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1270241"	287.091386	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"391368"	547.078958	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"750904"	801.136858	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1547852"	293.021058	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"308308"	274.043117	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"693078"	401.072067	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1453463"	147.014167	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"245346"	550.149626	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1215867"	296.091726	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1204124"	148.549501	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"201370"	553.08696	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"638745"	807.14486	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1145170"	299.02906	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"186638"	277.047118	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"626194"	404.076068	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1130075"	150.018168	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1412991"	100.347870666667	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1443526"	301.070646	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"233223"	282.08014	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1522379"	315.12269	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"422793"	285.034088	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"783058"	412.063038	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1680114"	158.005138	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"263719"	572.131568	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1232784"	318.073668	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1718389"	318.097193	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1186296"	107.675184666667	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1658009"	323.052588	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"164508"	585.03484	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"603339"	839.09274	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1092955"	330.97694	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"150134"	293.021058	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"586416"	420.050008	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1075302"	165.992108	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1111428"	332.991492	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1345626"	333.079107	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1014520"	337.118276	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1530458"	338.111908	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"991801"	169.062776	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1591411"	339.026528	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1418163"	369.058038	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1149546"	189.576051	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1703478"	386.084585	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1649337"	391.03998	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1579153"	407.01392	"C10329"	"14-Dihydroxy-2-methylanthraquinone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"811708"	299.1733	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M"	0
"983055"	280.15491	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-H2O-H"	-19.01839
"69110"	198.441590666667	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M-3H"	-3.021828
"507577"	298.166024	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M-3H"	-3.021828
"887568"	98.7171573333333	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-3H"	-3.021828
"5048"	298.166024	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H"	-2.014552
"442420"	447.752674	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H"	-2.014552
"831418"	148.579374	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-2H"	-2.014552
"93110"	597.339324	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M-H"	-1.007276
"532543"	896.512624	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M-H"	-1.007276
"909743"	298.166024	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-H"	-1.007276
"62547"	614.365871	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H+NH4"	16.019271
"502628"	913.539171	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H+NH4"	16.019271
"879650"	315.192571	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-2H+NH4"	16.019271
"46795"	619.321266	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H+Na"	20.974666
"486800"	918.494566	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H+Na"	20.974666
"862248"	320.147966	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-2H+Na"	20.974666
"1632876"	320.147966	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Na-2H"	20.974666
"102838"	316.154363	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M-H+Cl"	33.962126
"544589"	465.741013	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M-H+Cl"	33.962126
"938103"	166.567713	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-H+Cl"	33.962126
"276661"	633.316002	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+Cl"	34.969402
"673457"	932.489302	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+Cl"	34.969402
"1277115"	334.142702	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl"	34.969402
"20765"	635.295206	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H+K"	36.948606
"466884"	934.468506	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H+K"	36.948606
"842498"	336.121906	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-2H+K"	36.948606
"1568905"	336.121906	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+K-2H"	36.948606
"952776"	344.171494	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-H+HCOOH"	44.998194
"374274"	643.344801	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+HCOOH-H"	44.998201
"354876"	657.360451	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+Hac-H"	59.013851
"1507355"	358.187151	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Hac-H"	59.013851
"971249"	366.153451	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-H+NaCOOH"	66.980151
"124052"	334.142702	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+2Cl"	69.938804
"563736"	483.729352	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+2Cl"	69.938804
"1035451"	184.556052	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2Cl"	69.938804
"1256125"	378.092185	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Br"	78.918885
"1319837"	380.148172	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl+HCOOH"	80.974872
"1333882"	402.130129	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl+NaCOOH"	102.956829
"926400"	412.158886	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M-H+CF3COOH"	112.985586
"1302745"	448.135564	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl+CF3COOH"	148.962264
"1379442"	264.160624	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H-2H2O"	-35.012676
"1390378"	282.1706	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H-H2O"	-17.0027
"286053"	599.353876	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+H"	1.007276
"686860"	898.527176	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+H"	1.007276
"1357741"	300.180576	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H"	1.007276
"129173"	300.180576	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+2H"	2.014552
"571649"	449.767226	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+2H"	2.014552
"1045559"	150.593926	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2H"	2.014552
"213457"	200.456142666667	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+3H"	3.021828
"656302"	300.180576	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+3H"	3.021828
"1176498"	100.731709333333	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+3H"	3.021828
"436243"	616.380423	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+NH4"	18.033823
"799427"	915.553723	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+NH4"	18.033823
"1695394"	317.207123	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+NH4"	18.033823
"342212"	308.6938495	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+H+NH4"	19.041099
"736817"	458.2804995	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+H+NH4"	19.041099
"1489550"	159.1071995	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H+NH4"	19.041099
"398383"	621.335818	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+Na"	22.989218
"758287"	920.509118	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+Na"	22.989218
"1614777"	322.162518	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Na"	22.989218
"322988"	311.171547	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+H+Na"	23.996494
"714315"	460.758197	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+H+Na"	23.996494
"1474336"	161.584897	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H+Na"	23.996494
"1061381"	108.059023333333	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2H+Na"	25.00377
"1267435"	332.206786	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+CH3OH+H"	33.033486
"390750"	637.309758	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+K"	38.963158
"750651"	936.483058	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+K"	38.963158
"1546869"	338.136458	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+K"	38.963158
"306231"	319.158517	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+H+K"	39.970434
"692095"	468.745167	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+H+K"	39.970434
"1453573"	169.571867	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H+K"	39.970434
"244363"	640.380426	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+ACN+H"	42.033826
"1214881"	341.207126	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+ACN+H"	42.033826
"1203141"	171.107201	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+ACN+2H"	43.041102
"196011"	643.31776	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+2Na-H"	44.97116
"641043"	942.49106	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+2Na-H"	44.97116
"1145281"	344.14446	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2Na-H"	44.97116
"186994"	322.162518	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+2Na"	45.978436
"627281"	471.749168	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+2Na"	45.978436
"1129699"	172.575868	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2Na"	45.978436
"1413341"	115.386337333333	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H+2Na"	46.985712
"1443149"	346.186046	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H+HCOOH"	47.012746
"233209"	327.19554	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+3H2O+2H"	56.04448
"1523338"	360.23809	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+IsoProp+H"	61.06479
"423267"	330.149488	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+Na+K"	61.952376
"784382"	479.736138	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+Na+K"	61.952376
"1679982"	180.562838	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Na+K"	61.952376
"266014"	662.362368	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+ACN+Na"	64.015768
"1232893"	363.189068	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+ACN+Na"	64.015768
"1719592"	363.212593	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+NH4+HCOOH"	64.039293
"1190414"	122.713651333333	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+3Na"	68.967654
"1657025"	368.167988	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Na+HCOOH"	68.994688
"164982"	675.26564	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+2K-H"	76.91904
"605636"	974.43894	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+2K-H"	76.91904
"1097074"	376.09234	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2K-H"	76.91904
"150244"	338.136458	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"2M+2K"	77.926316
"590535"	487.723108	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"3M+2K"	77.926316
"1072131"	188.549808	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2K"	77.926316
"1109351"	378.106892	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2K+H"	78.933592
"1339537"	378.194507	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+DMSO+H"	79.021207
"1011349"	382.233676	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2ACN+H"	83.060376
"1533848"	383.227308	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+IsoProp+Na+H"	84.054008
"991911"	191.620476	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+2ACN+2H"	84.067652
"1591521"	384.141928	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+K+HCOOH"	84.968628
"1419366"	414.173438	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+H+CF3COOH"	115.000138
"1151842"	212.133751	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+3ACN+2H"	125.094202
"1703588"	431.199985	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+NH4+CF3COOH"	132.026685
"1647987"	436.15538	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+Na+CF3COOH"	136.98208
"1579263"	452.12932	"C10330"	"Intermedine;9-()-Trachelanthylretronecine"	"C15H25NO5"	"299.1733"	"M+K+CF3COOH"	152.95602
"812911"	168.0423	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M"	0
"983165"	149.02391	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"69220"	111.020924	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"503677"	167.035024	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"890958"	55.006824	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"8439"	167.035024	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"452373"	251.056174	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"832494"	83.013874	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"93462"	335.077324	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"532652"	503.119624	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"909731"	167.035024	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"62284"	352.103871	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"501965"	520.146171	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"878925"	184.061571	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"45003"	357.059266	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"486019"	525.101566	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"861993"	189.016966	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1632253"	189.016966	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"106228"	185.023363	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"542512"	269.044513	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"937122"	101.002213	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"277868"	371.054002	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"672840"	539.096302	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1277224"	203.011702	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"24156"	373.033206	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"465905"	541.075506	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"844797"	204.990906	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1563910"	204.990906	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"952888"	213.040494	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"374024"	381.082801	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"359364"	395.098451	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1506374"	227.056151	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"969174"	235.022451	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"124285"	203.011702	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"564210"	287.032852	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1035925"	118.990552	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1254780"	246.961185	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1318684"	249.017172	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1333994"	270.999129	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"925779"	281.027886	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1302855"	317.004564	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1380646"	133.029624	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1391582"	151.0396	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"292362"	337.091876	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"686971"	505.134176	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1360039"	169.049576	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"130743"	169.049576	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"569574"	253.070726	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1043478"	85.028426	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"216849"	113.035476	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"656411"	169.049576	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1177219"	57.021376	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"438421"	354.118423	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"799545"	522.160723	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1696119"	186.076123	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"345126"	177.5628495	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"736934"	261.5839995	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1490755"	93.5416995	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"401774"	359.073818	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"760583"	527.116118	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1615615"	191.031518	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"326014"	180.040547	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"718799"	264.061697	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1475905"	96.019397	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1066599"	64.34869	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1270098"	201.075786	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"389767"	375.047758	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"753556"	543.090058	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1546981"	207.005458	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"306344"	188.027517	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"692690"	272.048667	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1453683"	104.006367	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"246297"	378.118426	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1223381"	210.076126	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1207626"	105.541701	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"200864"	381.05576	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"642380"	549.09806	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1146121"	213.01346	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"185897"	191.031518	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"627033"	275.052668	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1129808"	107.010368	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1412725"	71.676004	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1443021"	215.055046	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"234535"	196.06454	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1522961"	229.10709	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"422646"	199.018488	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"781819"	283.039638	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1678515"	114.997338	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"262482"	400.100368	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1230817"	232.058068	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1720795"	232.081593	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1185057"	79.003318	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1656042"	237.036988	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"165822"	413.00364	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"607933"	581.04594	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1095727"	244.96134	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"152542"	207.005458	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"590645"	291.026608	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1075522"	122.984308	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1108732"	246.975892	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1337463"	247.063507	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1013647"	251.102676	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1525573"	252.096308	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"990029"	126.054976	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1591631"	253.010928	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1414737"	283.042438	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1150860"	146.568251	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1700411"	300.068985	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1648097"	305.02438	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1579373"	320.99832	"C10331"	"26-Dimethoxybenzoquinone;26-Dimetoxy-p-benzoquinone"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"813021"	374.079	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M"	0
"985462"	355.06061	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-H2O-H"	-19.01839
"64227"	248.378724	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M-3H"	-3.021828
"509987"	373.071724	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M-3H"	-3.021828
"884508"	123.685724	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-3H"	-3.021828
"1990"	373.071724	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M-2H"	-2.014552
"451391"	560.111224	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M-2H"	-2.014552
"831788"	186.032224	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-2H"	-2.014552
"93324"	747.150724	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M-H"	-1.007276
"532643"	1121.229724	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M-H"	-1.007276
"910205"	373.071724	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-H"	-1.007276
"62029"	764.177271	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M-2H+NH4"	16.019271
"502317"	1138.256271	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M-2H+NH4"	16.019271
"879855"	390.098271	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-2H+NH4"	16.019271
"46731"	769.132666	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M-2H+Na"	20.974666
"486489"	1143.211666	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M-2H+Na"	20.974666
"863197"	395.053666	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-2H+Na"	20.974666
"1632976"	395.053666	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Na-2H"	20.974666
"104151"	391.060063	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M-H+Cl"	33.962126
"541531"	578.099563	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M-H+Cl"	33.962126
"935049"	204.020563	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-H+Cl"	33.962126
"274697"	783.127402	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+Cl"	34.969402
"672583"	1157.206402	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+Cl"	34.969402
"1280614"	409.048402	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Cl"	34.969402
"17703"	785.106606	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M-2H+K"	36.948606
"461637"	1159.185606	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M-2H+K"	36.948606
"846731"	411.027606	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-2H+K"	36.948606
"1569491"	411.027606	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+K-2H"	36.948606
"956281"	419.077194	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-H+HCOOH"	44.998194
"374863"	793.156201	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+HCOOH-H"	44.998201
"361101"	807.171851	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+Hac-H"	59.013851
"1507945"	433.092851	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Hac-H"	59.013851
"971839"	441.059151	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-H+NaCOOH"	66.980151
"125694"	409.048402	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+2Cl"	69.938804
"565335"	596.087902	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+2Cl"	69.938804
"1035309"	222.008902	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2Cl"	69.938804
"1256345"	452.997885	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Br"	78.918885
"1319163"	455.053872	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Cl+HCOOH"	80.974872
"1333739"	477.035829	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Cl+NaCOOH"	102.956829
"924798"	487.064586	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M-H+CF3COOH"	112.985586
"1302962"	523.041264	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Cl+CF3COOH"	148.962264
"1380756"	339.066324	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H-2H2O"	-35.012676
"1392786"	357.0763	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H-H2O"	-17.0027
"292473"	749.165276	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+H"	1.007276
"681978"	1123.244276	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+H"	1.007276
"1362336"	375.086276	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H"	1.007276
"128301"	375.086276	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+2H"	2.014552
"571507"	562.125776	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+2H"	2.014552
"1042492"	188.046776	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2H"	2.014552
"218052"	250.393276	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+3H"	3.021828
"657255"	375.086276	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+3H"	3.021828
"1178220"	125.700276	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+3H"	3.021828
"437438"	766.191823	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+NH4"	18.033823
"800258"	1140.270823	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+NH4"	18.033823
"1696226"	392.112823	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+NH4"	18.033823
"336966"	383.5995495	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+H+NH4"	19.041099
"738016"	570.6390495	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+H+NH4"	19.041099
"1489769"	196.5600495	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H+NH4"	19.041099
"400790"	771.147218	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+Na"	22.989218
"759602"	1145.226218	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+Na"	22.989218
"1617548"	397.068218	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Na"	22.989218
"328315"	386.077247	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+H+Na"	23.996494
"719276"	573.116747	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+H+Na"	23.996494
"1475285"	199.037747	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H+Na"	23.996494
"1064519"	133.02759	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2H+Na"	25.00377
"1266928"	407.112486	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+CH3OH+H"	33.033486
"386230"	787.121158	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+K"	38.963158
"747226"	1161.200158	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+K"	38.963158
"1550370"	413.042158	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+K"	38.963158
"305359"	394.064217	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+H+K"	39.970434
"693772"	581.103717	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+H+K"	39.970434
"1459263"	207.024717	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H+K"	39.970434
"244584"	790.191826	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+ACN+H"	42.033826
"1221667"	416.112826	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+ACN+H"	42.033826
"1209648"	208.560051	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+ACN+2H"	43.041102
"203899"	793.12916	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+2Na-H"	44.97116
"643097"	1167.20816	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+2Na-H"	44.97116
"1145748"	419.05016	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2Na-H"	44.97116
"186734"	397.068218	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+2Na"	45.978436
"627263"	584.107718	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+2Na"	45.978436
"1130162"	210.028718	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2Na"	45.978436
"1413077"	140.354904	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H+2Na"	46.985712
"1444587"	421.091746	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H+HCOOH"	47.012746
"234280"	402.10124	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+3H2O+2H"	56.04448
"1523436"	435.14379	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+IsoProp+H"	61.06479
"418745"	405.055188	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+Na+K"	61.952376
"774273"	592.094688	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+Na+K"	61.952376
"1678257"	218.015688	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Na+K"	61.952376
"260405"	812.173768	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+ACN+Na"	64.015768
"1233114"	438.094768	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+ACN+Na"	64.015768
"1720907"	438.118293	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+NH4+HCOOH"	64.039293
"1184074"	147.682218	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+3Na"	68.967654
"1656155"	443.073688	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Na+HCOOH"	68.994688
"166297"	825.07704	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+2K-H"	76.91904
"608044"	1199.15604	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+2K-H"	76.91904
"1092555"	450.99804	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2K-H"	76.91904
"150466"	413.042158	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"2M+2K"	77.926316
"588933"	600.081658	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"3M+2K"	77.926316
"1082077"	226.002658	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2K"	77.926316
"1109935"	453.012592	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2K+H"	78.933592
"1340853"	453.100207	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+DMSO+H"	79.021207
"1008289"	457.139376	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2ACN+H"	83.060376
"1525443"	458.133008	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+IsoProp+Na+H"	84.054008
"991278"	229.073326	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+2ACN+2H"	84.067652
"1597210"	459.047628	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+K+HCOOH"	84.968628
"1425056"	489.079138	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+H+CF3COOH"	115.000138
"1162516"	249.586601	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+3ACN+2H"	125.094202
"1711458"	506.105685	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+NH4+CF3COOH"	132.026685
"1647108"	511.06108	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+Na+CF3COOH"	136.98208
"1576203"	527.03502	"C10332"	"Diospyrin"	"C22H14O6"	"374.079"	"M+K+CF3COOH"	152.95602
"813131"	367.1631	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M"	0
"986665"	348.14471	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-H2O-H"	-19.01839
"65430"	243.768124	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M-3H"	-3.021828
"513377"	366.155824	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M-3H"	-3.021828
"884618"	121.380424	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-3H"	-3.021828
"5380"	366.155824	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M-2H"	-2.014552
"452594"	549.737374	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M-2H"	-2.014552
"831126"	182.574274	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-2H"	-2.014552
"93879"	733.318924	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M-H"	-1.007276
"532143"	1100.482024	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M-H"	-1.007276
"910762"	366.155824	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-H"	-1.007276
"59949"	750.345471	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M-2H+NH4"	16.019271
"502227"	1117.508571	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M-2H+NH4"	16.019271
"879502"	383.182371	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-2H+NH4"	16.019271
"47104"	755.300866	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M-2H+Na"	20.974666
"486811"	1122.463966	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M-2H+Na"	20.974666
"862573"	388.137766	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-2H+Na"	20.974666
"1634087"	388.137766	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Na-2H"	20.974666
"106446"	384.144163	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M-H+Cl"	33.962126
"542734"	567.725713	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M-H+Cl"	33.962126
"937345"	200.562613	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-H+Cl"	33.962126
"279178"	769.295602	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+Cl"	34.969402
"673422"	1136.458702	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+Cl"	34.969402
"1275615"	402.132502	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Cl"	34.969402
"17809"	771.274806	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M-2H+K"	36.948606
"461747"	1138.437906	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M-2H+K"	36.948606
"843925"	404.111706	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-2H+K"	36.948606
"1568507"	404.111706	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+K-2H"	36.948606
"956390"	412.161294	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-H+HCOOH"	44.998194
"375701"	779.324401	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+HCOOH-H"	44.998201
"360803"	793.340051	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+Hac-H"	59.013851
"1508440"	426.176951	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Hac-H"	59.013851
"971588"	434.143251	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-H+NaCOOH"	66.980151
"125234"	402.132502	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+2Cl"	69.938804
"565369"	585.714052	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+2Cl"	69.938804
"1036389"	218.550952	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2Cl"	69.938804
"1256740"	446.081985	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Br"	78.918885
"1317082"	448.137972	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Cl+HCOOH"	80.974872
"1334212"	470.119929	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Cl+NaCOOH"	102.956829
"926367"	480.148686	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M-H+CF3COOH"	112.985586
"1303679"	516.125364	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Cl+CF3COOH"	148.962264
"1381959"	332.150424	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H-2H2O"	-35.012676
"1393989"	350.1604	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H-H2O"	-17.0027
"292583"	735.333476	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+H"	1.007276
"681724"	1102.496576	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+H"	1.007276
"1361353"	368.170376	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H"	1.007276
"128046"	368.170376	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+2H"	2.014552
"574898"	551.751926	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+2H"	2.014552
"1044790"	184.588826	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2H"	2.014552
"217068"	245.782676	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+3H"	3.021828
"658701"	368.170376	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+3H"	3.021828
"1177923"	123.394976	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+3H"	3.021828
"438397"	752.360023	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+NH4"	18.033823
"799760"	1119.523123	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+NH4"	18.033823
"1696537"	385.196923	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+NH4"	18.033823
"340356"	376.6836495	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+H+NH4"	19.041099
"738047"	560.2651995	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+H+NH4"	19.041099
"1489879"	193.1020995	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H+NH4"	19.041099
"403086"	757.315418	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+Na"	22.989218
"759711"	1124.478518	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+Na"	22.989218
"1617659"	390.152318	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Na"	22.989218
"328911"	379.161347	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+H+Na"	23.996494
"720480"	562.742897	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+H+Na"	23.996494
"1475029"	195.579797	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H+Na"	23.996494
"1062807"	130.72229	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2H+Na"	25.00377
"1267766"	400.196586	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+CH3OH+H"	33.033486
"389987"	773.289358	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+K"	38.963158
"750983"	1140.452458	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+K"	38.963158
"1552304"	406.126258	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+K"	38.963158
"305470"	387.148317	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+H+K"	39.970434
"696798"	570.729867	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+H+K"	39.970434
"1459373"	203.566767	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H+K"	39.970434
"244694"	776.360026	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+ACN+H"	42.033826
"1222870"	409.196926	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+ACN+H"	42.033826
"1209642"	205.102101	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+ACN+2H"	43.041102
"202555"	779.29736	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+2Na-H"	44.97116
"642478"	1146.46046	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+2Na-H"	44.97116
"1145256"	412.13426	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2Na-H"	44.97116
"187084"	390.152318	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+2Na"	45.978436
"627736"	573.733868	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+2Na"	45.978436
"1129667"	206.570768	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2Na"	45.978436
"1412580"	138.049604	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H+2Na"	46.985712
"1445266"	414.175846	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H+HCOOH"	47.012746
"235606"	395.18534	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+3H2O+2H"	56.04448
"1522450"	428.22789	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+IsoProp+H"	61.06479
"423230"	398.139288	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+Na+K"	61.952376
"784224"	581.720838	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+Na+K"	61.952376
"1680431"	214.557738	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Na+K"	61.952376
"262703"	798.341968	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+ACN+Na"	64.015768
"1236506"	431.178868	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+ACN+Na"	64.015768
"1722110"	431.202393	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+NH4+HCOOH"	64.039293
"1189652"	145.376918	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+3Na"	68.967654
"1662099"	436.157788	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Na+HCOOH"	68.994688
"166407"	811.24524	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+2K-H"	76.91904
"610342"	1178.40834	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+2K-H"	76.91904
"1094853"	444.08214	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2K-H"	76.91904
"149483"	406.126258	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"2M+2K"	77.926316
"590866"	589.707808	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"3M+2K"	77.926316
"1078659"	222.544708	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2K"	77.926316
"1107858"	446.096692	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2K+H"	78.933592
"1340963"	446.184307	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+DMSO+H"	79.021207
"1008399"	450.223476	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2ACN+H"	83.060376
"1527619"	451.217108	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+IsoProp+Na+H"	84.054008
"991512"	225.615376	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+2ACN+2H"	84.067652
"1597320"	452.131728	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+K+HCOOH"	84.968628
"1425166"	482.163238	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+H+CF3COOH"	115.000138
"1162507"	246.128651	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+3ACN+2H"	125.094202
"1711568"	499.189785	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+NH4+CF3COOH"	132.026685
"1649862"	504.14518	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+Na+CF3COOH"	136.98208
"1576313"	520.11912	"C10333"	"Isatidine;Retrorsine N-oxide"	"C18H25NO7"	"367.1631"	"M+K+CF3COOH"	152.95602
"813241"	372.0481	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M"	0
"985682"	353.02971	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-H2O-H"	-19.01839
"64083"	247.024790666667	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M-3H"	-3.021828
"513487"	371.040824	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M-3H"	-3.021828
"881448"	123.008757333333	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-3H"	-3.021828
"5490"	371.040824	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M-2H"	-2.014552
"453798"	557.064874	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M-2H"	-2.014552
"831844"	185.016774	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-2H"	-2.014552
"93784"	743.088924	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M-H"	-1.007276
"532253"	1115.137024	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M-H"	-1.007276
"908966"	371.040824	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-H"	-1.007276
"61152"	760.115471	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M-2H+NH4"	16.019271
"502134"	1132.163571	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M-2H+NH4"	16.019271
"879735"	388.067371	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-2H+NH4"	16.019271
"46992"	765.070866	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M-2H+Na"	20.974666
"486994"	1137.118966	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M-2H+Na"	20.974666
"863412"	393.022766	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-2H+Na"	20.974666
"1633923"	393.022766	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Na-2H"	20.974666
"106556"	389.029163	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M-H+Cl"	33.962126
"542844"	575.053213	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M-H+Cl"	33.962126
"941099"	203.005113	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-H+Cl"	33.962126
"279288"	779.065602	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+Cl"	34.969402
"670616"	1151.113702	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+Cl"	34.969402
"1280832"	407.017502	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Cl"	34.969402
"17923"	781.044806	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M-2H+K"	36.948606
"458576"	1153.092906	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M-2H+K"	36.948606
"842941"	408.996706	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-2H+K"	36.948606
"1568253"	408.996706	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+K-2H"	36.948606
"953218"	417.046294	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-H+HCOOH"	44.998194
"374352"	789.094401	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+HCOOH-H"	44.998201
"360425"	803.110051	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+Hac-H"	59.013851
"1508286"	431.061951	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Hac-H"	59.013851
"972060"	439.028251	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-H+NaCOOH"	66.980151
"125344"	407.017502	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+2Cl"	69.938804
"565025"	593.041552	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+2Cl"	69.938804
"1036255"	220.993452	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2Cl"	69.938804
"1256729"	450.966985	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Br"	78.918885
"1318644"	453.022972	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Cl+HCOOH"	80.974872
"1333594"	475.004929	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Cl+NaCOOH"	102.956829
"924652"	485.033686	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M-H+CF3COOH"	112.985586
"1302814"	521.010364	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Cl+CF3COOH"	148.962264
"1379882"	337.035424	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H-2H2O"	-35.012676
"1390819"	355.0454	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H-H2O"	-17.0027
"293786"	745.103476	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+H"	1.007276
"681834"	1117.151576	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+H"	1.007276
"1358183"	373.055376	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H"	1.007276
"128155"	373.055376	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+2H"	2.014552
"575008"	559.079426	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+2H"	2.014552
"1044900"	187.031326	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2H"	2.014552
"217178"	249.039342666667	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+3H"	3.021828
"658568"	373.055376	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+3H"	3.021828
"1178116"	125.023309333333	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+3H"	3.021828
"437779"	762.130023	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+NH4"	18.033823
"799141"	1134.178123	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+NH4"	18.033823
"1695474"	390.081923	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+NH4"	18.033823
"340466"	381.5686495	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+H+NH4"	19.041099
"737265"	567.5926995	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+H+NH4"	19.041099
"1490354"	195.5445995	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H+NH4"	19.041099
"403196"	767.085418	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+Na"	22.989218
"759821"	1139.133518	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+Na"	22.989218
"1617403"	395.037318	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Na"	22.989218
"329142"	384.046347	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+H+Na"	23.996494
"720590"	570.070397	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+H+Na"	23.996494
"1474410"	198.022297	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H+Na"	23.996494
"1062917"	132.350623333333	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2H+Na"	25.00377
"1267876"	405.081586	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+CH3OH+H"	33.033486
"389732"	783.059358	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+K"	38.963158
"750727"	1155.107458	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+K"	38.963158
"1553508"	411.011258	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+K"	38.963158
"303394"	392.033317	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+H+K"	39.970434
"695815"	578.057367	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+H+K"	39.970434
"1460212"	206.009267	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H+K"	39.970434
"248083"	786.130026	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+ACN+H"	42.033826
"1224073"	414.081926	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+ACN+H"	42.033826
"1209667"	207.544601	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+ACN+2H"	43.041102
"204203"	789.06736	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+2Na-H"	44.97116
"643438"	1161.11546	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+2Na-H"	44.97116
"1146453"	417.01926	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2Na-H"	44.97116
"187554"	395.037318	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+2Na"	45.978436
"628209"	581.061368	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+2Na"	45.978436
"1130867"	209.013268	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2Na"	45.978436
"1414133"	139.677937333333	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H+2Na"	46.985712
"1445569"	419.060846	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H+HCOOH"	47.012746
"235108"	400.07034	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+3H2O+2H"	56.04448
"1522923"	433.11289	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+IsoProp+H"	61.06479
"422976"	403.024288	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+Na+K"	61.952376
"784699"	589.048338	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+Na+K"	61.952376
"1680298"	217.000238	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Na+K"	61.952376
"263906"	808.111968	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+ACN+Na"	64.015768
"1237710"	436.063868	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+ACN+Na"	64.015768
"1722221"	436.087393	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+NH4+HCOOH"	64.039293
"1189762"	147.005251333333	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+3Na"	68.967654
"1661479"	441.042788	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Na+HCOOH"	68.994688
"168704"	821.01524	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+2K-H"	76.91904
"609359"	1193.06334	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+2K-H"	76.91904
"1094963"	448.96714	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2K-H"	76.91904
"147405"	411.011258	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"2M+2K"	77.926316
"590976"	597.035308	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"3M+2K"	77.926316
"1078769"	224.987208	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2K"	77.926316
"1104689"	450.981692	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2K+H"	78.933592
"1337914"	451.069307	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+DMSO+H"	79.021207
"1006804"	455.108476	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2ACN+H"	83.060376
"1526634"	456.102108	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+IsoProp+Na+H"	84.054008
"991987"	228.057876	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+2ACN+2H"	84.067652
"1598523"	457.016728	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+K+HCOOH"	84.968628
"1425276"	487.048238	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+H+CF3COOH"	115.000138
"1162454"	248.571151	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+3ACN+2H"	125.094202
"1711678"	504.074785	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+NH4+CF3COOH"	132.026685
"1649855"	509.03018	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+Na+CF3COOH"	136.98208
"1576423"	525.00412	"C10334"	"Dothistromin"	"C18H12O9"	"372.0481"	"M+K+CF3COOH"	152.95602
"813351"	204.0423	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M"	0
"985792"	185.02391	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-H2O-H"	-19.01839
"64557"	135.020924	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M-3H"	-3.021828
"513597"	203.035024	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M-3H"	-3.021828
"881558"	67.006824	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-3H"	-3.021828
"5600"	203.035024	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M-2H"	-2.014552
"454396"	305.056174	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M-2H"	-2.014552
"829524"	101.013874	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-2H"	-2.014552
"93773"	407.077324	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M-H"	-1.007276
"532365"	611.119624	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M-H"	-1.007276
"909075"	203.035024	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-H"	-1.007276
"59076"	424.103871	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M-2H+NH4"	16.019271
"498634"	628.146171	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M-2H+NH4"	16.019271
"877529"	220.061571	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-2H+NH4"	16.019271
"46166"	429.059266	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M-2H+Na"	20.974666
"485965"	633.101566	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M-2H+Na"	20.974666
"863037"	225.016966	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-2H+Na"	20.974666
"1629046"	225.016966	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Na-2H"	20.974666
"104480"	221.023363	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M-H+Cl"	33.962126
"539675"	323.044513	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M-H+Cl"	33.962126
"936470"	119.002213	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-H+Cl"	33.962126
"275024"	443.054002	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+Cl"	34.969402
"670725"	647.096302	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+Cl"	34.969402
"1277662"	239.011702	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Cl"	34.969402
"21313"	445.033206	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M-2H+K"	36.948606
"458685"	649.075506	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M-2H+K"	36.948606
"841956"	240.990906	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-2H+K"	36.948606
"1566537"	240.990906	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+K-2H"	36.948606
"953328"	249.040494	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-H+HCOOH"	44.998194
"375190"	453.082801	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+HCOOH-H"	44.998201
"360049"	467.098451	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+Hac-H"	59.013851
"1506446"	263.056151	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Hac-H"	59.013851
"971799"	271.022451	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-H+NaCOOH"	66.980151
"124603"	239.011702	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+2Cl"	69.938804
"565378"	341.032852	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+2Cl"	69.938804
"1034542"	136.990552	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2Cl"	69.938804
"1256309"	282.961185	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Br"	78.918885
"1319119"	285.017172	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Cl+HCOOH"	80.974872
"1332973"	306.999129	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Cl+NaCOOH"	102.956829
"924030"	317.027886	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M-H+CF3COOH"	112.985586
"1299643"	353.004564	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Cl+CF3COOH"	148.962264
"1378899"	169.029624	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H-2H2O"	-35.012676
"1390929"	187.0396	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H-H2O"	-17.0027
"293896"	409.091876	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+H"	1.007276
"684131"	613.134176	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+H"	1.007276
"1361574"	205.049576	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H"	1.007276
"130089"	205.049576	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+2H"	2.014552
"574026"	307.070726	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+2H"	2.014552
"1045010"	103.028426	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2H"	2.014552
"210727"	137.035476	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+3H"	3.021828
"658312"	205.049576	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+3H"	3.021828
"1178264"	69.021376	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+3H"	3.021828
"436063"	426.118423	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+NH4"	18.033823
"798886"	630.160723	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+NH4"	18.033823
"1693026"	222.076123	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+NH4"	18.033823
"340576"	213.5628495	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+H+NH4"	19.041099
"736644"	315.5839995	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+H+NH4"	19.041099
"1489734"	111.5416995	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H+NH4"	19.041099
"406223"	431.073818	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+Na"	22.989218
"761022"	635.116118	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+Na"	22.989218
"1617394"	227.031518	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Na"	22.989218
"328889"	216.040547	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+H+Na"	23.996494
"721553"	318.061697	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+H+Na"	23.996494
"1473790"	114.019397	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H+Na"	23.996494
"1065943"	76.34869	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2H+Na"	25.00377
"1269446"	237.075786	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+CH3OH+H"	33.033486
"389478"	447.047758	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+K"	38.963158
"751569"	651.090058	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+K"	38.963158
"1552525"	243.005458	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+K"	38.963158
"308972"	224.027517	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+H+K"	39.970434
"695196"	326.048667	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+H+K"	39.970434
"1459837"	122.006367	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H+K"	39.970434
"251197"	450.118426	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+ACN+H"	42.033826
"1223822"	246.076126	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+ACN+H"	42.033826
"1208070"	123.541701	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+ACN+2H"	43.041102
"204026"	453.05576	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+2Na-H"	44.97116
"643788"	657.09806	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+2Na-H"	44.97116
"1145594"	249.01346	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2Na-H"	44.97116
"187302"	227.031518	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+2Na"	45.978436
"626862"	329.052668	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+2Na"	45.978436
"1127816"	125.010368	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2Na"	45.978436
"1412433"	83.676004	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H+2Na"	46.985712
"1443820"	251.055046	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H+HCOOH"	47.012746
"235382"	232.06454	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+3H2O+2H"	56.04448
"1521212"	265.10709	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+IsoProp+H"	61.06479
"421993"	235.018488	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+Na+K"	61.952376
"783719"	337.039638	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+Na+K"	61.952376
"1679683"	132.997338	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Na+K"	61.952376
"262196"	472.100368	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+ACN+Na"	64.015768
"1236361"	268.058068	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+ACN+Na"	64.015768
"1721239"	268.081593	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+NH4+HCOOH"	64.039293
"1188050"	91.003318	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+3Na"	68.967654
"1657945"	273.036988	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Na+HCOOH"	68.994688
"158974"	485.00364	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+2K-H"	76.91904
"604000"	689.04594	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+2K-H"	76.91904
"1090700"	280.96134	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2K-H"	76.91904
"150434"	243.005458	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"2M+2K"	77.926316
"587077"	345.026608	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"3M+2K"	77.926316
"1073776"	140.984308	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2K"	77.926316
"1108078"	282.975892	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2K+H"	78.933592
"1337903"	283.063507	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+DMSO+H"	79.021207
"1011902"	287.102676	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2ACN+H"	83.060376
"1525529"	288.096308	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+IsoProp+Na+H"	84.054008
"990639"	144.054976	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+2ACN+2H"	84.067652
"1595353"	289.010928	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+K+HCOOH"	84.968628
"1422107"	319.042438	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+H+CF3COOH"	115.000138
"1160051"	164.568251	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+3ACN+2H"	125.094202
"1711788"	336.068985	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+NH4+CF3COOH"	132.026685
"1649506"	341.02438	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+Na+CF3COOH"	136.98208
"1574344"	356.99832	"C10335"	"Droserone"	"C11H8O4"	"204.0423"	"M+K+CF3COOH"	152.95602
"812371"	299.1733	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M"	0
"978249"	280.15491	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-H2O-H"	-19.01839
"73053"	198.441590666667	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M-3H"	-3.021828
"507146"	298.166024	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M-3H"	-3.021828
"888228"	98.7171573333333	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-3H"	-3.021828
"8989"	298.166024	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M-2H"	-2.014552
"453535"	447.752674	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M-2H"	-2.014552
"830863"	148.579374	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-2H"	-2.014552
"92797"	597.339324	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M-H"	-1.007276
"530287"	896.512624	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M-H"	-1.007276
"911133"	298.166024	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-H"	-1.007276
"62106"	614.365871	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M-2H+NH4"	16.019271
"502516"	913.539171	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M-2H+NH4"	16.019271
"878250"	315.192571	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-2H+NH4"	16.019271
"46761"	619.321266	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M-2H+Na"	20.974666
"482915"	918.494566	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M-2H+Na"	20.974666
"854156"	320.147966	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-2H+Na"	20.974666
"1620772"	320.147966	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Na-2H"	20.974666
"95844"	316.154363	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M-H+Cl"	33.962126
"534593"	465.741013	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M-H+Cl"	33.962126
"928920"	166.567713	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-H+Cl"	33.962126
"271853"	633.316002	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+Cl"	34.969402
"665367"	932.489302	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+Cl"	34.969402
"1281051"	334.142702	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Cl"	34.969402
"22516"	635.295206	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M-2H+K"	36.948606
"458795"	934.468506	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M-2H+K"	36.948606
"839879"	336.121906	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-2H+K"	36.948606
"1560087"	336.121906	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+K-2H"	36.948606
"951251"	344.171494	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-H+HCOOH"	44.998194
"375180"	643.344801	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+HCOOH-H"	44.998201
"358456"	657.360451	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+Hac-H"	59.013851
"1504011"	358.187151	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Hac-H"	59.013851
"972281"	366.153451	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-H+NaCOOH"	66.980151
"124833"	334.142702	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+2Cl"	69.938804
"562569"	483.729352	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+2Cl"	69.938804
"1036557"	184.556052	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2Cl"	69.938804
"1256052"	378.092185	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Br"	78.918885
"1314489"	380.148172	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Cl+HCOOH"	80.974872
"1333082"	402.130129	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Cl+NaCOOH"	102.956829
"920858"	412.158886	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M-H+CF3COOH"	112.985586
"1295381"	448.135564	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Cl+CF3COOH"	148.962264
"1373542"	264.160624	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H-2H2O"	-35.012676
"1387759"	282.1706	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H-H2O"	-17.0027
"288538"	599.353876	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+H"	1.007276
"682053"	898.527176	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+H"	1.007276
"1356216"	300.180576	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H"	1.007276
"129105"	300.180576	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+2H"	2.014552
"569762"	449.767226	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+2H"	2.014552
"1045120"	150.593926	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2H"	2.014552
"219113"	200.456142666667	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+3H"	3.021828
"659441"	300.180576	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+3H"	3.021828
"1176911"	100.731709333333	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+3H"	3.021828
"438358"	616.380423	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+NH4"	18.033823
"798633"	915.553723	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+NH4"	18.033823
"1694958"	317.207123	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+NH4"	18.033823
"344935"	308.6938495	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+H+NH4"	19.041099
"736023"	458.2804995	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+H+NH4"	19.041099
"1491299"	159.1071995	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H+NH4"	19.041099
"407437"	621.335818	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+Na"	22.989218
"768679"	920.509118	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+Na"	22.989218
"1617753"	322.162518	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Na"	22.989218
"328637"	311.171547	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+H+Na"	23.996494
"719357"	460.758197	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+H+Na"	23.996494
"1475361"	161.584897	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H+Na"	23.996494
"1064231"	108.059023333333	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2H+Na"	25.00377
"1268460"	332.206786	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+CH3OH+H"	33.033486
"390314"	637.309758	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+K"	38.963158
"752770"	936.483058	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+K"	38.963158
"1546438"	338.136458	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+K"	38.963158
"312980"	319.158517	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+H+K"	39.970434
"706132"	468.745167	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+H+K"	39.970434
"1460924"	169.571867	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H+K"	39.970434
"250502"	640.380426	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+ACN+H"	42.033826
"1225034"	341.207126	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+ACN+H"	42.033826
"1209398"	171.107201	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+ACN+2H"	43.041102
"203366"	643.31776	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+2Na-H"	44.97116
"642685"	942.49106	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+2Na-H"	44.97116
"1145581"	344.14446	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2Na-H"	44.97116
"187172"	322.162518	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+2Na"	45.978436
"626732"	471.749168	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+2Na"	45.978436
"1128655"	172.575868	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2Na"	45.978436
"1411814"	115.386337333333	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H+2Na"	46.985712
"1443929"	346.186046	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H+HCOOH"	47.012746
"233987"	327.19554	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+3H2O+2H"	56.04448
"1522415"	360.23809	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+IsoProp+H"	61.06479
"422832"	330.149488	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+Na+K"	61.952376
"782733"	479.736138	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+Na+K"	61.952376
"1677606"	180.562838	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Na+K"	61.952376
"263035"	662.362368	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+ACN+Na"	64.015768
"1232460"	363.189068	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+ACN+Na"	64.015768
"1721712"	363.212593	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+NH4+HCOOH"	64.039293
"1188525"	122.713651333333	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+3Na"	68.967654
"1660970"	368.167988	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Na+HCOOH"	68.994688
"164551"	675.26564	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+2K-H"	76.91904
"607756"	974.43894	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+2K-H"	76.91904
"1094455"	376.09234	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2K-H"	76.91904
"147260"	338.136458	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"2M+2K"	77.926316
"583907"	487.723108	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"3M+2K"	77.926316
"1073885"	188.549808	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2K"	77.926316
"1108188"	378.106892	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2K+H"	78.933592
"1341293"	378.194507	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+DMSO+H"	79.021207
"1012011"	382.233676	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2ACN+H"	83.060376
"1525881"	383.227308	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+IsoProp+Na+H"	84.054008
"990260"	191.620476	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+2ACN+2H"	84.067652
"1598378"	384.141928	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+K+HCOOH"	84.968628
"1417841"	414.173438	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+H+CF3COOH"	115.000138
"1156880"	212.133751	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+3ACN+2H"	125.094202
"1709712"	431.199985	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+NH4+CF3COOH"	132.026685
"1634793"	436.15538	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+Na+CF3COOH"	136.98208
"1573362"	452.12932	"C10336"	"Isolycopsamine"	"C15H25NO5"	"299.1733"	"M+K+CF3COOH"	152.95602
"813571"	242.0943	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M"	0
"977266"	223.07591	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"73163"	160.388924	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"505069"	241.087024	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"888338"	79.690824	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"5819"	241.087024	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"455515"	362.134174	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"832391"	120.039874	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"93273"	483.181324	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"533441"	725.275624	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"909294"	241.087024	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"62456"	500.207871	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"501778"	742.302171	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"879221"	258.113571	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"46469"	505.163266	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"484119"	747.257566	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"860827"	263.068966	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1624894"	263.068966	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"97049"	259.075363	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"538065"	380.122513	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"930125"	138.028213	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"274150"	519.158002	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"667664"	761.252302	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1281160"	277.063702	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"28093"	521.137206	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"462185"	763.231506	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"844364"	279.042906	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1568581"	279.042906	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"957724"	287.092494	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"375051"	529.186801	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"359299"	543.202451	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1505578"	301.108151	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"972754"	309.074451	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"124942"	277.063702	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"565231"	398.110852	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1034762"	156.016552	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1253248"	321.013185	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1313506"	323.069172	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1331737"	345.051129	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"923522"	355.079886	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1300594"	391.056564	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1376931"	207.081624	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1394429"	225.0916	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"294116"	485.195876	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"690183"	727.290176	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1365077"	243.101576	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"134683"	243.101576	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"580447"	364.148726	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1045232"	122.054426	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"214227"	162.403476	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"653789"	243.101576	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1170819"	81.705376	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"439441"	502.222423	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"799836"	744.316723	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1695796"	260.128123	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"344072"	251.6148495	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"737225"	372.6619995	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1490316"	130.5676995	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"403533"	507.177818	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"764532"	749.272118	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1613360"	265.083518	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"328379"	254.092547	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"716185"	375.139697	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1470003"	133.045397	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1064341"	89.03269	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1269297"	275.127786	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"390788"	523.151758	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"752880"	765.246058	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1547641"	281.057458	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"309927"	262.079517	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"705631"	383.126667	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1461034"	141.032367	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"249884"	526.222426	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1224901"	284.128126	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1208662"	142.567701	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"202630"	529.15976	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"641825"	771.25406	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1144966"	287.06546	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"186070"	265.083518	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"626359"	386.130668	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1130595"	144.036368	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1411931"	96.360004	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1444047"	289.107046	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"235200"	270.11654	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1522534"	303.15909	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"423555"	273.070488	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"784308"	394.117638	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1679180"	152.023338	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"264969"	548.204368	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1238041"	306.110068	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1723282"	306.133593	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1189000"	103.687318	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1662538"	311.088988	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"168306"	561.10764	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"611635"	803.20194	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1094565"	319.01334	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"152476"	281.057458	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"594588"	402.104608	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1079468"	160.010308	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1112310"	321.027892	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1347967"	321.115507	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1015037"	325.154676	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1533527"	326.148308	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"1002891"	163.080976	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1596669"	327.062928	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1423418"	357.094438	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1151520"	183.594251	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1703261"	374.120985	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1638912"	379.07638	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1573470"	395.05032	"C10337"	"Dunnione"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"812588"	344.126	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M"	0
"977376"	325.10761	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-H2O-H"	-19.01839
"69993"	228.410057333333	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M-3H"	-3.021828
"504450"	343.118724	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M-3H"	-3.021828
"888448"	113.701390666667	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-3H"	-3.021828
"826"	343.118724	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M-2H"	-2.014552
"455500"	515.181724	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M-2H"	-2.014552
"832701"	171.055724	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-2H"	-2.014552
"94193"	687.244724	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M-H"	-1.007276
"533793"	1031.370724	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M-H"	-1.007276
"908311"	343.118724	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-H"	-1.007276
"58310"	704.271271	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M-2H+NH4"	16.019271
"502612"	1048.397271	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M-2H+NH4"	16.019271
"879896"	360.145271	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-2H+NH4"	16.019271
"47039"	709.226666	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M-2H+Na"	20.974666
"484228"	1053.352666	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M-2H+Na"	20.974666
"857657"	365.100666	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-2H+Na"	20.974666
"1626098"	365.100666	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Na-2H"	20.974666
"99346"	361.107063	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M-H+Cl"	33.962126
"537811"	533.170063	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M-H+Cl"	33.962126
"930235"	189.044063	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-H+Cl"	33.962126
"274260"	723.221402	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+Cl"	34.969402
"663400"	1067.347402	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+Cl"	34.969402
"1281271"	379.095402	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Cl"	34.969402
"28203"	725.200606	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M-2H+K"	36.948606
"464483"	1069.326606	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M-2H+K"	36.948606
"840099"	381.074606	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-2H+K"	36.948606
"1570881"	381.074606	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+K-2H"	36.948606
"958319"	389.124194	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-H+HCOOH"	44.998194
"375884"	733.250201	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+HCOOH-H"	44.998201
"359045"	747.265851	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+Hac-H"	59.013851
"1501313"	403.139851	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Hac-H"	59.013851
"972865"	411.106151	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-H+NaCOOH"	66.980151
"122135"	379.095402	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+2Cl"	69.938804
"562789"	551.158402	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+2Cl"	69.938804
"1031589"	207.032402	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2Cl"	69.938804
"1253724"	423.044885	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Br"	78.918885
"1316897"	425.100872	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Cl+HCOOH"	80.974872
"1331483"	447.082829	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Cl+NaCOOH"	102.956829
"922906"	457.111586	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M-H+CF3COOH"	112.985586
"1299611"	493.088264	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Cl+CF3COOH"	148.962264
"1377042"	309.113324	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H-2H2O"	-35.012676
"1394539"	327.1233	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H-H2O"	-17.0027
"295321"	689.259276	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+H"	1.007276
"687013"	1033.385276	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+H"	1.007276
"1362637"	345.133276	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H"	1.007276
"133699"	345.133276	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+2H"	2.014552
"577638"	517.196276	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+2H"	2.014552
"1045342"	173.070276	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2H"	2.014552
"213973"	230.424609333333	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+3H"	3.021828
"654627"	345.133276	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+3H"	3.021828
"1168740"	115.715942666667	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+3H"	3.021828
"436391"	706.285823	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+NH4"	18.033823
"796293"	1050.411823	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+NH4"	18.033823
"1692624"	362.159823	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+NH4"	18.033823
"343818"	353.6465495	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+H+NH4"	19.041099
"734417"	525.7095495	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+H+NH4"	19.041099
"1490425"	181.5835495	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H+NH4"	19.041099
"404737"	711.241218	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+Na"	22.989218
"762455"	1055.367218	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+Na"	22.989218
"1613834"	367.115218	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Na"	22.989218
"327881"	356.124247	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+H+Na"	23.996494
"717388"	528.187247	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+H+Na"	23.996494
"1470114"	184.061247	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H+Na"	23.996494
"1064451"	123.043256666667	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2H+Na"	25.00377
"1270502"	377.159486	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+CH3OH+H"	33.033486
"389077"	727.215158	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+K"	38.963158
"746793"	1071.341158	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+K"	38.963158
"1545566"	383.089158	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+K"	38.963158
"309308"	364.111217	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+H+K"	39.970434
"706712"	536.174217	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+H+K"	39.970434
"1460900"	192.048217	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H+K"	39.970434
"250842"	730.285826	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+ACN+H"	42.033826
"1224646"	386.159826	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+ACN+H"	42.033826
"1209339"	193.583551	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+ACN+2H"	43.041102
"202496"	733.22316	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+2Na-H"	44.97116
"642543"	1077.34916	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+2Na-H"	44.97116
"1145073"	389.09716	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2Na-H"	44.97116
"186786"	367.115218	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+2Na"	45.978436
"626105"	539.178218	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+2Na"	45.978436
"1129245"	195.052218	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2Na"	45.978436
"1413136"	130.370570666667	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H+2Na"	46.985712
"1443427"	391.138746	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H+HCOOH"	47.012746
"233853"	372.14824	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+3H2O+2H"	56.04448
"1521551"	405.19079	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+IsoProp+H"	61.06479
"423626"	375.102188	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+Na+K"	61.952376
"782961"	547.165188	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+Na+K"	61.952376
"1678197"	203.039188	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Na+K"	61.952376
"264347"	752.267768	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+ACN+Na"	64.015768
"1237055"	408.141768	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+ACN+Na"	64.015768
"1723757"	408.165293	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+NH4+HCOOH"	64.039293
"1185830"	137.697884666667	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+3Na"	68.967654
"1662283"	413.120688	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Na+HCOOH"	68.994688
"163678"	765.17104	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+2K-H"	76.91904
"610892"	1109.29704	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+2K-H"	76.91904
"1093216"	421.04504	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2K-H"	76.91904
"152586"	383.089158	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"2M+2K"	77.926316
"595063"	555.152158	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"3M+2K"	77.926316
"1079578"	211.026158	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2K"	77.926316
"1112421"	423.059592	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2K+H"	78.933592
"1349900"	423.147207	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+DMSO+H"	79.021207
"1015511"	427.186376	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2ACN+H"	83.060376
"1534730"	428.180008	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+IsoProp+Na+H"	84.054008
"1003366"	214.096826	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+2ACN+2H"	84.067652
"1599693"	429.094628	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+K+HCOOH"	84.968628
"1422435"	459.126138	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+H+CF3COOH"	115.000138
"1151627"	234.610101	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+3ACN+2H"	125.094202
"1709931"	476.152685	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+NH4+CF3COOH"	132.026685
"1645583"	481.10808	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+Na+CF3COOH"	136.98208
"1573580"	497.08202	"C10338"	"Echinone;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-14-naphthalenedione"	"C19H20O6"	"344.126"	"M+K+CF3COOH"	152.95602
"812698"	351.1682	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M"	0
"980766"	332.14981	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-H2O-H"	-19.01839
"66823"	233.104857333333	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M-3H"	-3.021828
"508569"	350.160924	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M-3H"	-3.021828
"889651"	116.048790666667	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-3H"	-3.021828
"6038"	350.160924	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M-2H"	-2.014552
"454720"	525.745024	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M-2H"	-2.014552
"831437"	174.576824	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-2H"	-2.014552
"93859"	701.329124	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M-H"	-1.007276
"533782"	1052.497324	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M-H"	-1.007276
"910487"	350.160924	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-H"	-1.007276
"61215"	718.355671	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M-2H+NH4"	16.019271
"501627"	1069.523871	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M-2H+NH4"	16.019271
"879755"	367.187471	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-2H+NH4"	16.019271
"47111"	723.311066	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M-2H+Na"	20.974666
"485554"	1074.479266	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M-2H+Na"	20.974666
"857768"	372.142866	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-2H+Na"	20.974666
"1622929"	372.142866	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Na-2H"	20.974666
"100552"	368.149263	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M-H+Cl"	33.962126
"537923"	543.733363	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M-H+Cl"	33.962126
"936906"	192.565163	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-H+Cl"	33.962126
"277651"	737.305802	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+Cl"	34.969402
"665697"	1088.474002	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+Cl"	34.969402
"1278101"	386.137602	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Cl"	34.969402
"28313"	739.285006	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M-2H+K"	36.948606
"462406"	1090.453206	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M-2H+K"	36.948606
"840209"	388.116806	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-2H+K"	36.948606
"1570627"	388.116806	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+K-2H"	36.948606
"957659"	396.166394	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-H+HCOOH"	44.998194
"376723"	747.334601	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+HCOOH-H"	44.998201
"358790"	761.350251	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+Hac-H"	59.013851
"1500329"	410.182051	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Hac-H"	59.013851
"963498"	418.148351	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-H+NaCOOH"	66.980151
"116777"	386.137602	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+2Cl"	69.938804
"559618"	561.721702	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+2Cl"	69.938804
"1029511"	210.553502	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2Cl"	69.938804
"1254197"	430.087085	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Br"	78.918885
"1313727"	432.143072	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Cl+HCOOH"	80.974872
"1333415"	454.125029	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Cl+NaCOOH"	102.956829
"924109"	464.153786	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M-H+CF3COOH"	112.985586
"1299721"	500.130464	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Cl+CF3COOH"	148.962264
"1377152"	316.155524	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H-2H2O"	-35.012676
"1394285"	334.1655	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H-H2O"	-17.0027
"292148"	703.343676	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+H"	1.007276
"687123"	1054.511876	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+H"	1.007276
"1363474"	352.175476	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H"	1.007276
"136725"	352.175476	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+2H"	2.014552
"571182"	527.759576	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+2H"	2.014552
"1045452"	176.591376	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2H"	2.014552
"214447"	235.119409333333	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+3H"	3.021828
"656197"	352.175476	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+3H"	3.021828
"1168855"	118.063342666667	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+3H"	3.021828
"434314"	720.370223	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+NH4"	18.033823
"797497"	1071.538423	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+NH4"	18.033823
"1689454"	369.202023	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+NH4"	18.033823
"339918"	360.6887495	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+H+NH4"	19.041099
"734529"	536.2728495	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+H+NH4"	19.041099
"1487255"	185.1046495	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H+NH4"	19.041099
"404846"	725.325618	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+Na"	22.989218
"766576"	1076.493818	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+Na"	22.989218
"1613944"	374.157418	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Na"	22.989218
"327263"	363.166447	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+H+Na"	23.996494
"715310"	538.750547	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+H+Na"	23.996494
"1472412"	187.582347	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H+Na"	23.996494
"1064562"	125.390656666667	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2H+Na"	25.00377
"1269520"	384.201686	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+CH3OH+H"	33.033486
"385909"	741.299558	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+K"	38.963158
"749092"	1092.467758	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+K"	38.963158
"1550050"	390.131358	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+K"	38.963158
"311970"	371.153417	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+H+K"	39.970434
"705850"	546.737517	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+H+K"	39.970434
"1460890"	195.569317	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H+K"	39.970434
"250830"	744.370226	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+ACN+H"	42.033826
"1223179"	393.202026	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+ACN+H"	42.033826
"1208156"	197.104651	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+ACN+2H"	43.041102
"202121"	747.30756	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+2Na-H"	44.97116
"642775"	1098.47576	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+2Na-H"	44.97116
"1144821"	396.13936	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2Na-H"	44.97116
"186654"	374.157418	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+2Na"	45.978436
"626214"	549.741518	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+2Na"	45.978436
"1129716"	198.573318	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2Na"	45.978436
"1413452"	132.717970666667	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H+2Na"	46.985712
"1444876"	398.180946	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H+HCOOH"	47.012746
"234816"	379.19044	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+3H2O+2H"	56.04448
"1522756"	412.23299	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+IsoProp+H"	61.06479
"422437"	382.144388	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+Na+K"	61.952376
"783798"	557.728488	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+Na+K"	61.952376
"1679400"	206.560288	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Na+K"	61.952376
"264092"	766.352168	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+ACN+Na"	64.015768
"1238625"	415.183968	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+ACN+Na"	64.015768
"1724960"	415.207493	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+NH4+HCOOH"	64.039293
"1187033"	140.045284666667	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+3Na"	68.967654
"1662393"	420.162888	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Na+HCOOH"	68.994688
"168891"	779.25544	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+2K-H"	76.91904
"610274"	1130.42364	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+2K-H"	76.91904
"1093326"	428.08724	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2K-H"	76.91904
"153424"	390.131358	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"2M+2K"	77.926316
"595174"	565.715458	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"3M+2K"	77.926316
"1083698"	214.547258	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2K"	77.926316
"1112531"	430.101792	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2K+H"	78.933592
"1350010"	430.189407	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+DMSO+H"	79.021207
"1016714"	434.228576	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2ACN+H"	83.060376
"1534840"	435.222208	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+IsoProp+Na+H"	84.054008
"1003840"	217.617926	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+2ACN+2H"	84.067652
"1599803"	436.136828	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+K+HCOOH"	84.968628
"1423638"	466.168338	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+H+CF3COOH"	115.000138
"1152830"	238.131201	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+3ACN+2H"	125.094202
"1710041"	483.194885	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+NH4+CF3COOH"	132.026685
"1645693"	488.15028	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+Na+CF3COOH"	136.98208
"1574784"	504.12422	"C10339"	"Jacobine"	"C18H25NO6"	"351.1682"	"M+K+CF3COOH"	152.95602
"813901"	272.1049	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M"	0
"977596"	253.08651	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"63242"	180.395990666667	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"508679"	271.097624	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"882106"	89.6943573333333	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"6148"	271.097624	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"444616"	407.150074	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"831783"	135.045174	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"91904"	543.202524	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"533650"	815.307424	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"909625"	271.097624	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"60353"	560.229071	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"502305"	832.333971	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"879500"	288.124171	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"46592"	565.184466	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"483962"	837.289366	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"860064"	293.079566	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1623038"	293.079566	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"100662"	289.085963	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"540221"	425.138413	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"933737"	153.033513	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"277760"	579.179202	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"664714"	851.284102	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1274931"	307.074302	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"19675"	581.158406	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"461423"	853.263306	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"839226"	309.053506	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1571103"	309.053506	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"958137"	317.103094	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"376390"	589.208001	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"360881"	603.223651	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1503719"	331.118751	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"966888"	339.085051	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"116887"	307.074302	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"559728"	443.126752	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1028528"	171.021852	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1254670"	351.023785	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1313837"	353.079772	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1334983"	375.061729	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"926879"	385.090486	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1299101"	421.067164	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1376169"	237.092224	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1393666"	255.1022	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"291165"	545.217076	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"686869"	817.321976	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1363220"	273.112176	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"136835"	273.112176	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"568376"	409.164626	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1045562"	137.059726	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"214556"	182.410542666667	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"657036"	273.112176	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1171151"	91.7089093333333	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"434424"	562.243623	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"795420"	834.348523	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1694671"	290.138723	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"337842"	281.6254495	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"733911"	417.6778995	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1486272"	145.5729995	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"404228"	567.199018	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"763772"	839.303918	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1614056"	295.094118	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"321906"	284.103147	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"712141"	420.155597	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1468148"	148.050697	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1060299"	99.0362233333333	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1265258"	305.138386	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"381644"	583.172958	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"743734"	855.277858	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1547611"	311.068058	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"312080"	292.090117	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"706324"	428.142567	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1460514"	156.037667	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"250210"	586.243626	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1223282"	314.138726	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1207900"	157.573001	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"202225"	589.18096	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"643125"	861.28586	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1144568"	317.07606	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"186400"	295.094118	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"626687"	431.146568	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1129829"	159.041668	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1410797"	106.363537333333	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1443277"	319.117646	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"234554"	300.12714	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1522131"	333.16969	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"421815"	303.081088	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"783541"	439.133538	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1677680"	167.028638	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"262744"	608.225568	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1232900"	336.120668	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1721788"	336.144193	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1189331"	113.690851333333	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1662140"	341.099588	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"170095"	621.12884	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"610384"	893.23374	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1093436"	349.02394	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"155721"	311.068058	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"595531"	447.120508	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1082955"	175.015608	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1115192"	351.038492	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1349998"	351.126107	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1016825"	355.165276	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1536044"	356.158908	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"1003464"	178.086276	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1600277"	357.073528	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1423748"	387.105038	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1152941"	198.599551	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1710151"	404.131585	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1645803"	409.08698	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1574894"	425.06092	"C10340"	"Eleutherin"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"812918"	411.2257	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M"	0
"980986"	392.20731	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-H2O-H"	-19.01839
"64855"	273.143190666667	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M-3H"	-3.021828
"508789"	410.218424	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M-3H"	-3.021828
"884402"	136.067957333333	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-3H"	-3.021828
"5163"	410.218424	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M-2H"	-2.014552
"448005"	615.831274	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M-2H"	-2.014552
"831651"	204.605574	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-2H"	-2.014552
"92740"	821.444124	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M-H"	-1.007276
"529741"	1232.669824	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M-H"	-1.007276
"909734"	410.218424	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-H"	-1.007276
"58641"	838.470671	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M-2H+NH4"	16.019271
"501606"	1249.696371	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M-2H+NH4"	16.019271
"876730"	427.244971	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-2H+NH4"	16.019271
"41352"	843.426066	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M-2H+Na"	20.974666
"477995"	1254.651766	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M-2H+Na"	20.974666
"855798"	432.200366	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-2H+Na"	20.974666
"1618631"	432.200366	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Na-2H"	20.974666
"94402"	428.206763	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M-H+Cl"	33.962126
"535226"	633.819613	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M-H+Cl"	33.962126
"928012"	222.593913	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-H+Cl"	33.962126
"274590"	857.420802	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+Cl"	34.969402
"660689"	1268.646502	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+Cl"	34.969402
"1273822"	446.195102	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Cl"	34.969402
"16866"	859.400006	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M-2H+K"	36.948606
"455868"	1270.625706	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M-2H+K"	36.948606
"839335"	448.174306	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-2H+K"	36.948606
"1570603"	448.174306	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+K-2H"	36.948606
"951801"	456.223894	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-H+HCOOH"	44.998194
"374756"	867.449601	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+HCOOH-H"	44.998201
"361152"	881.465251	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+Hac-H"	59.013851
"1502736"	470.239551	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Hac-H"	59.013851
"964811"	478.205851	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-H+NaCOOH"	66.980151
"113717"	446.195102	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+2Cl"	69.938804
"556558"	651.807952	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+2Cl"	69.938804
"1028638"	240.582252	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2Cl"	69.938804
"1251498"	490.144585	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Br"	78.918885
"1313947"	492.200572	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Cl+HCOOH"	80.974872
"1333633"	514.182529	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Cl+NaCOOH"	102.956829
"926029"	524.211286	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M-H+CF3COOH"	112.985586
"1299211"	560.187964	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Cl+CF3COOH"	148.962264
"1377372"	376.213024	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H-2H2O"	-35.012676
"1393776"	394.223	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H-H2O"	-17.0027
"291275"	823.458676	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+H"	1.007276
"684791"	1234.684376	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+H"	1.007276
"1364059"	412.232976	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H"	1.007276
"136216"	412.232976	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+2H"	2.014552
"569215"	617.845826	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+2H"	2.014552
"1047858"	206.620126	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2H"	2.014552
"215395"	275.157742666667	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+3H"	3.021828
"656417"	412.232976	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+3H"	3.021828
"1170168"	138.082509333333	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+3H"	3.021828
"434534"	840.485223	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+NH4"	18.033823
"795530"	1251.710923	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+NH4"	18.033823
"1694052"	429.259523	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+NH4"	18.033823
"337952"	420.7462495	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+H+NH4"	19.041099
"734021"	626.3590995	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+H+NH4"	19.041099
"1486382"	215.1333995	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H+NH4"	19.041099
"404702"	845.440618	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+Na"	22.989218
"763882"	1256.666318	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+Na"	22.989218
"1614166"	434.214918	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Na"	22.989218
"324203"	423.223947	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+H+Na"	23.996494
"711522"	628.836797	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+H+Na"	23.996494
"1468258"	217.611097	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H+Na"	23.996494
"1061503"	145.409823333333	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2H+Na"	25.00377
"1266462"	444.259186	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+CH3OH+H"	33.033486
"383941"	861.414558	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+K"	38.963158
"740564"	1272.640258	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+K"	38.963158
"1548085"	450.188858	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+K"	38.963158
"312189"	431.210917	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+H+K"	39.970434
"699507"	636.823767	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+H+K"	39.970434
"1456979"	225.598067	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H+K"	39.970434
"247768"	864.485226	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+ACN+H"	42.033826
"1222299"	453.259526	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+ACN+H"	42.033826
"1205456"	227.133401	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+ACN+2H"	43.041102
"200879"	867.42256	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+2Na-H"	44.97116
"640804"	1278.64826	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+2Na-H"	44.97116
"1143459"	456.19686	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2Na-H"	44.97116
"185781"	434.214918	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+2Na"	45.978436
"624608"	639.827768	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+2Na"	45.978436
"1128116"	228.602068	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2Na"	45.978436
"1410543"	152.737137333333	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H+2Na"	46.985712
"1441928"	458.238446	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H+HCOOH"	47.012746
"232964"	439.24794	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+3H2O+2H"	56.04448
"1521147"	472.29049	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+IsoProp+H"	61.06479
"420467"	442.201888	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+Na+K"	61.952376
"782921"	647.814738	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+Na+K"	61.952376
"1675602"	236.589038	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Na+K"	61.952376
"257021"	886.467168	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+ACN+Na"	64.015768
"1235197"	475.241468	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+ACN+Na"	64.015768
"1716430"	475.264993	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+NH4+HCOOH"	64.039293
"1183972"	160.064451333333	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+3Na"	68.967654
"1657146"	480.220388	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Na+HCOOH"	68.994688
"165100"	899.37044	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+2K-H"	76.91904
"610128"	1310.59614	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+2K-H"	76.91904
"1095733"	488.14474	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2K-H"	76.91904
"148176"	450.188858	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"2M+2K"	77.926316
"591018"	655.801708	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"3M+2K"	77.926316
"1076623"	244.576008	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2K"	77.926316
"1105458"	490.159292	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2K+H"	78.933592
"1339656"	490.246907	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+DMSO+H"	79.021207
"1008185"	494.286076	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2ACN+H"	83.060376
"1530685"	495.279708	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+IsoProp+Na+H"	84.054008
"1001508"	247.646676	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+2ACN+2H"	84.067652
"1598200"	496.194328	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+K+HCOOH"	84.968628
"1422765"	526.225838	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+H+CF3COOH"	115.000138
"1150864"	268.159951	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+3ACN+2H"	125.094202
"1704794"	543.252385	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+NH4+CF3COOH"	132.026685
"1645913"	548.20778	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+Na+CF3COOH"	136.98208
"1575003"	564.18172	"C10341"	"Lasiocarpine;7-Angelyl-9-lasiocarpylheliotridine"	"C21H33NO7"	"411.2257"	"M+K+CF3COOH"	152.95602
"814121"	294.1831	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M"	0
"974899"	275.16471	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-H2O-H"	-19.01839
"64966"	195.114790666667	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M-3H"	-3.021828
"504525"	293.175824	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M-3H"	-3.021828
"882326"	97.0537573333333	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-3H"	-3.021828
"6371"	293.175824	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M-2H"	-2.014552
"449212"	440.267374	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M-2H"	-2.014552
"832250"	146.084274	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-2H"	-2.014552
"92847"	587.358924	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M-H"	-1.007276
"530944"	881.542024	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M-H"	-1.007276
"908750"	293.175824	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-H"	-1.007276
"59845"	604.385471	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M-2H+NH4"	16.019271
"500498"	898.568571	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M-2H+NH4"	16.019271
"876114"	310.202371	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-2H+NH4"	16.019271
"40735"	609.340866	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M-2H+Na"	20.974666
"481388"	903.523966	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M-2H+Na"	20.974666
"857001"	315.157766	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-2H+Na"	20.974666
"1619973"	315.157766	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Na-2H"	20.974666
"95404"	311.164163	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M-H+Cl"	33.962126
"535457"	458.255713	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M-H+Cl"	33.962126
"932863"	164.072613	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-H+Cl"	33.962126
"277980"	623.335602	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+Cl"	34.969402
"661284"	917.518702	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+Cl"	34.969402
"1273360"	329.152502	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Cl"	34.969402
"17099"	625.314806	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M-2H+K"	36.948606
"459456"	919.497906	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M-2H+K"	36.948606
"839447"	331.131706	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-2H+K"	36.948606
"1558560"	331.131706	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+K-2H"	36.948606
"958233"	339.181294	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-H+HCOOH"	44.998194
"376082"	633.364401	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+HCOOH-H"	44.998201
"359483"	647.380051	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+Hac-H"	59.013851
"1508153"	353.196951	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Hac-H"	59.013851
"970388"	361.163251	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-H+NaCOOH"	66.980151
"113098"	329.152502	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+2Cl"	69.938804
"554482"	476.244052	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+2Cl"	69.938804
"1028749"	182.060952	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2Cl"	69.938804
"1242492"	373.101985	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Br"	78.918885
"1315152"	375.157972	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Cl+HCOOH"	80.974872
"1327180"	397.139929	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Cl+NaCOOH"	102.956829
"917508"	407.168686	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M-H+CF3COOH"	112.985586
"1303902"	443.145364	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Cl+CF3COOH"	148.962264
"1380400"	259.170424	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H-2H2O"	-35.012676
"1390607"	277.1804	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H-H2O"	-17.0027
"291386"	589.373476	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+H"	1.007276
"682714"	883.556576	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+H"	1.007276
"1360157"	295.190376	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H"	1.007276
"137420"	295.190376	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+2H"	2.014552
"575889"	442.281926	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+2H"	2.014552
"1045782"	148.098826	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2H"	2.014552
"214776"	197.129342666667	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+3H"	3.021828
"656165"	295.190376	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+3H"	3.021828
"1170279"	99.0683093333333	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+3H"	3.021828
"433551"	606.400023	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+NH4"	18.033823
"792360"	900.583123	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+NH4"	18.033823
"1694525"	312.216923	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+NH4"	18.033823
"342072"	303.7036495	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+H+NH4"	19.041099
"734859"	450.7951995	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+H+NH4"	19.041099
"1486492"	156.6120995	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H+NH4"	19.041099
"405177"	611.355418	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+Na"	22.989218
"765086"	905.538518	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+Na"	22.989218
"1609903"	317.172318	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Na"	22.989218
"322126"	306.181347	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+H+Na"	23.996494
"714545"	453.272897	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+H+Na"	23.996494
"1468367"	159.089797	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H+Na"	23.996494
"1061613"	106.395623333333	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2H+Na"	25.00377
"1265478"	327.216586	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+CH3OH+H"	33.033486
"381866"	627.329358	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+K"	38.963158
"742860"	921.512458	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+K"	38.963158
"1545280"	333.146258	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+K"	38.963158
"311574"	314.168317	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+H+K"	39.970434
"705090"	461.259867	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+H+K"	39.970434
"1459272"	167.076767	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H+K"	39.970434
"247876"	630.400026	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+ACN+H"	42.033826
"1219492"	336.216926	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+ACN+H"	42.033826
"1207024"	168.612101	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+ACN+2H"	43.041102
"201352"	633.33736	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+2Na-H"	44.97116
"640186"	927.52046	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+2Na-H"	44.97116
"1145148"	339.15426	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2Na-H"	44.97116
"184792"	317.172318	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+2Na"	45.978436
"625443"	464.263868	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+2Na"	45.978436
"1125667"	170.080768	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2Na"	45.978436
"1410286"	113.722937333333	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H+2Na"	46.985712
"1438029"	341.195846	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H+HCOOH"	47.012746
"232093"	322.20534	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+3H2O+2H"	56.04448
"1522348"	355.24789	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+IsoProp+H"	61.06479
"422275"	325.159288	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+Na+K"	61.952376
"784364"	472.250838	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+Na+K"	61.952376
"1676806"	178.067738	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Na+K"	61.952376
"262599"	652.381968	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+ACN+Na"	64.015768
"1234213"	358.198868	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+ACN+Na"	64.015768
"1714352"	358.222393	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+NH4+HCOOH"	64.039293
"1182989"	121.050251333333	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+3Na"	68.967654
"1656163"	363.177788	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Na+HCOOH"	68.994688
"168490"	665.28524	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+2K-H"	76.91904
"605862"	959.46834	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+2K-H"	76.91904
"1091470"	371.10214	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2K-H"	76.91904
"150476"	333.146258	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"2M+2K"	77.926316
"585659"	480.237808	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"3M+2K"	77.926316
"1074546"	186.054708	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2K"	77.926316
"1103382"	373.116692	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2K+H"	78.933592
"1335669"	373.204307	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+DMSO+H"	79.021207
"1015951"	377.243476	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2ACN+H"	83.060376
"1532984"	378.237108	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+IsoProp+Na+H"	84.054008
"998338"	189.125376	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+2ACN+2H"	84.067652
"1598309"	379.151728	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+K+HCOOH"	84.968628
"1417408"	409.183238	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+H+CF3COOH"	115.000138
"1150977"	209.638651	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+3ACN+2H"	125.094202
"1707091"	426.209785	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+NH4+CF3COOH"	132.026685
"1646023"	431.16518	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+Na+CF3COOH"	136.98208
"1574020"	447.13912	"C10342"	"Embelin"	"C17H26O4"	"294.1831"	"M+K+CF3COOH"	152.95602
"814231"	270.0528	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M"	0
"987765"	251.03441	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"66169"	179.027924	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"504634"	269.045524	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"884622"	89.010324	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"7574"	269.045524	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"450415"	404.071924	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"831387"	134.019124	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"93567"	539.098324	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"533367"	809.151124	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"909711"	269.045524	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"59835"	556.124871	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"500487"	826.177671	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"878168"	286.072071	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"41938"	561.080266	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"482592"	831.133066	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"860393"	291.027466	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1623363"	291.027466	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"96248"	287.033863	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"535809"	422.060263	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"931880"	152.007463	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"278090"	575.075002	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"662490"	845.127802	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1274768"	305.022202	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"17570"	577.054206	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"459200"	847.107006	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"836274"	307.001406	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1559034"	307.001406	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"956032"	315.050994	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"370237"	585.103801	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"360084"	599.119451	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1504050"	329.066651	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"973659"	337.032951	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"119406"	305.022202	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"560060"	440.048602	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1032140"	169.995802	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1246979"	348.971685	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1317089"	351.027672	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1332394"	373.009629	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"926736"	383.038386	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1296152"	419.015064	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1375407"	235.040124	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1388530"	253.0501	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"286030"	541.112876	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"680638"	811.165676	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1359174"	271.060076	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"130970"	271.060076	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"575997"	406.086476	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1045891"	136.033676	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"213792"	181.042476	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"654450"	271.060076	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1171476"	91.024876	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"434748"	558.139423	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"797933"	828.192223	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1696091"	288.086623	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"343638"	279.5733495	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"734969"	414.5997495	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1484415"	144.5469495	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"406017"	563.094818	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"763008"	833.147618	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1611106"	293.042018	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"321144"	282.051047	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"713562"	417.077447	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1466290"	147.024647	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1063910"	98.35219	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1268869"	303.086286	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"384163"	579.068758	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"746251"	849.121558	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1546119"	309.015958	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"313506"	290.038017	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"705565"	425.064417	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1460113"	155.011617	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"246894"	582.139426	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1221794"	312.086626	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1205675"	156.546951	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"201828"	585.07676	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"641024"	855.12956	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1144165"	315.02396	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"187092"	293.042018	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"626285"	428.068418	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1127603"	158.015618	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1411491"	105.679504	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1442515"	317.065546	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"234761"	298.07504	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1522461"	331.11759	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"423845"	301.028988	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"784603"	436.055388	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1680563"	166.002588	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"264533"	604.121368	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1237605"	334.068568	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1723210"	334.092093	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1186378"	113.006818	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1661739"	339.047488	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"170787"	617.02464	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"604880"	887.07744	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1091578"	346.97184	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"147303"	309.015958	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"593425"	444.042358	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1074655"	173.989558	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1105677"	348.986392	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1338782"	349.074007	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1011685"	353.113176	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1527623"	354.106808	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"1001726"	177.060226	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1599513"	355.021428	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1419703"	385.052938	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1157646"	197.573501	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1705011"	402.079485	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1636292"	407.03488	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1577413"	423.00882	"C10343"	"Emodin"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"816167"	393.1788	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M"	0
"987512"	374.16041	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-H2O-H"	-19.01839
"76126"	261.111924	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M-3H"	-3.021828
"513498"	392.171524	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M-3H"	-3.021828
"894218"	130.052324	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-3H"	-3.021828
"15553"	392.171524	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M-2H"	-2.014552
"453098"	588.760924	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M-2H"	-2.014552
"831259"	195.582124	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-2H"	-2.014552
"92952"	785.350324	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M-H"	-1.007276
"533240"	1178.529124	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M-H"	-1.007276
"908616"	392.171524	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-H"	-1.007276
"62013"	802.376871	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M-2H+NH4"	16.019271
"499265"	1195.555671	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M-2H+NH4"	16.019271
"875245"	409.198071	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-2H+NH4"	16.019271
"45332"	807.332266	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M-2H+Na"	20.974666
"483798"	1200.511066	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M-2H+Na"	20.974666
"860506"	414.153466	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-2H+Na"	20.974666
"1625666"	414.153466	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Na-2H"	20.974666
"102195"	410.159863	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M-H+Cl"	33.962126
"538475"	606.749263	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M-H+Cl"	33.962126
"930896"	213.570463	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-H+Cl"	33.962126
"278200"	821.327002	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+Cl"	34.969402
"662967"	1214.505802	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+Cl"	34.969402
"1279746"	428.148202	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Cl"	34.969402
"23396"	823.306206	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M-2H+K"	36.948606
"465145"	1216.485006	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M-2H+K"	36.948606
"839667"	430.127406	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-2H+K"	36.948606
"1570082"	430.127406	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+K-2H"	36.948606
"957522"	438.176994	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-H+HCOOH"	44.998194
"376758"	831.355801	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+HCOOH-H"	44.998201
"360676"	845.371451	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+Hac-H"	59.013851
"1505625"	452.192651	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Hac-H"	59.013851
"973605"	460.158951	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-H+NaCOOH"	66.980151
"124826"	428.148202	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+2Cl"	69.938804
"562364"	624.737602	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+2Cl"	69.938804
"1033352"	231.558802	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2Cl"	69.938804
"1254750"	472.097685	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Br"	78.918885
"1316836"	474.153672	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Cl+HCOOH"	80.974872
"1330317"	496.135629	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Cl+NaCOOH"	102.956829
"926846"	506.164386	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M-H+CF3COOH"	112.985586
"1303191"	542.141064	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Cl+CF3COOH"	148.962264
"1380258"	358.166124	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H-2H2O"	-35.012676
"1394839"	376.1761	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H-H2O"	-17.0027
"298530"	787.364876	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+H"	1.007276
"689865"	1180.543676	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+H"	1.007276
"1364392"	394.186076	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H"	1.007276
"139467"	394.186076	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+2H"	2.014552
"573924"	590.775476	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+2H"	2.014552
"1042721"	197.596676	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2H"	2.014552
"216091"	263.126476	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+3H"	3.021828
"657477"	394.186076	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+3H"	3.021828
"1176332"	132.066876	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+3H"	3.021828
"432676"	804.391423	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+NH4"	18.033823
"799993"	1197.570223	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+NH4"	18.033823
"1695110"	411.212623	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+NH4"	18.033823
"345507"	402.6993495	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+H+NH4"	19.041099
"738004"	599.2887495	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+H+NH4"	19.041099
"1489994"	206.1099495	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H+NH4"	19.041099
"405401"	809.346818	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+Na"	22.989218
"763120"	1202.525618	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+Na"	22.989218
"1612309"	416.168018	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Na"	22.989218
"322347"	405.177047	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+H+Na"	23.996494
"714769"	601.766447	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+H+Na"	23.996494
"1471867"	208.587647	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H+Na"	23.996494
"1061834"	139.39419	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2H+Na"	25.00377
"1270075"	426.212286	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+CH3OH+H"	33.033486
"386462"	825.320758	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+K"	38.963158
"753777"	1218.499558	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+K"	38.963158
"1554618"	432.141958	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+K"	38.963158
"312886"	413.164017	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+H+K"	39.970434
"707047"	609.753417	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+H+K"	39.970434
"1461156"	216.574617	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H+K"	39.970434
"248098"	828.391426	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+ACN+H"	42.033826
"1222997"	435.212626	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+ACN+H"	42.033826
"1209067"	218.109951	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+ACN+2H"	43.041102
"203763"	831.32876	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+2Na-H"	44.97116
"642840"	1224.50756	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+2Na-H"	44.97116
"1145984"	438.14996	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2Na-H"	44.97116
"187703"	416.168018	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+2Na"	45.978436
"627377"	612.757418	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+2Na"	45.978436
"1130877"	219.578618	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2Na"	45.978436
"1412700"	146.721504	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H+2Na"	46.985712
"1444939"	440.191546	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H+HCOOH"	47.012746
"233782"	421.20104	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+3H2O+2H"	56.04448
"1523547"	454.24359	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+IsoProp+H"	61.06479
"424226"	424.154988	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+Na+K"	61.952376
"785513"	620.744388	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+Na+K"	61.952376
"1681048"	227.565588	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Na+K"	61.952376
"267114"	850.373368	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+ACN+Na"	64.015768
"1240957"	457.194568	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+ACN+Na"	64.015768
"1722229"	457.218093	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+NH4+HCOOH"	64.039293
"1188677"	154.048818	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+3Na"	68.967654
"1654197"	462.173488	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Na+HCOOH"	68.994688
"169805"	863.27664	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+2K-H"	76.91904
"609364"	1256.45544	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+2K-H"	76.91904
"1096064"	470.09784	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2K-H"	76.91904
"155069"	432.141958	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"2M+2K"	77.926316
"590254"	628.731358	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"3M+2K"	77.926316
"1078047"	235.552558	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2K"	77.926316
"1109069"	472.112392	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2K+H"	78.933592
"1344360"	472.200007	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+DMSO+H"	79.021207
"1013985"	476.239176	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2ACN+H"	83.060376
"1534297"	477.232808	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+IsoProp+Na+H"	84.054008
"1000746"	238.623226	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+2ACN+2H"	84.067652
"1590144"	478.147428	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+K+HCOOH"	84.968628
"1419815"	508.178938	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+H+CF3COOH"	115.000138
"1151197"	259.136501	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+3ACN+2H"	125.094202
"1708404"	525.205485	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+NH4+CF3COOH"	132.026685
"1646243"	530.16088	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+Na+CF3COOH"	136.98208
"1577523"	546.13482	"C10344"	"Latifoline;()-Latifoline"	"C20H27NO7"	"393.1788"	"M+K+CF3COOH"	152.95602
"814451"	432.1056	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M"	0
"981425"	413.08721	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-H2O-H"	-19.01839
"70764"	287.063124	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M-3H"	-3.021828
"505950"	431.098324	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M-3H"	-3.021828
"891407"	143.027924	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-3H"	-3.021828
"6702"	431.098324	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M-2H"	-2.014552
"451731"	647.151124	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M-2H"	-2.014552
"830998"	215.045524	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-2H"	-2.014552
"93177"	863.203924	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M-H"	-1.007276
"532980"	1295.309524	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M-H"	-1.007276
"909092"	431.098324	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-H"	-1.007276
"62691"	880.230471	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M-2H+NH4"	16.019271
"501804"	1312.336071	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M-2H+NH4"	16.019271
"877541"	448.124871	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-2H+NH4"	16.019271
"43982"	885.185866	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M-2H+Na"	20.974666
"485001"	1317.291466	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M-2H+Na"	20.974666
"860615"	453.080266	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-2H+Na"	20.974666
"1623589"	453.080266	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Na-2H"	20.974666
"100119"	449.086663	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M-H+Cl"	33.962126
"538586"	665.139463	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M-H+Cl"	33.962126
"929182"	233.033863	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-H+Cl"	33.962126
"277217"	899.180602	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+Cl"	34.969402
"662712"	1331.286202	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+Cl"	34.969402
"1278763"	467.075002	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Cl"	34.969402
"22413"	901.159806	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M-2H+K"	36.948606
"465255"	1333.265406	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M-2H+K"	36.948606
"839777"	469.054206	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-2H+K"	36.948606
"1569828"	469.054206	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+K-2H"	36.948606
"957348"	477.103794	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-H+HCOOH"	44.998194
"375935"	909.209401	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+HCOOH-H"	44.998201
"360303"	923.225051	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+Hac-H"	59.013851
"1506829"	491.119451	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Hac-H"	59.013851
"973760"	499.085751	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-H+NaCOOH"	66.980151
"124003"	467.075002	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+2Cl"	69.938804
"563569"	683.127802	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+2Cl"	69.938804
"1034191"	251.022202	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2Cl"	69.938804
"1255224"	511.024485	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Br"	78.918885
"1318769"	513.080472	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Cl+HCOOH"	80.974872
"1328605"	535.062429	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Cl+NaCOOH"	102.956829
"926716"	545.091186	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M-H+CF3COOH"	112.985586
"1303545"	581.067864	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Cl+CF3COOH"	148.962264
"1380004"	397.092924	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H-2H2O"	-35.012676
"1394949"	415.1029	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H-H2O"	-17.0027
"298527"	865.218476	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+H"	1.007276
"689247"	1297.324076	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+H"	1.007276
"1364866"	433.112876	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H"	1.007276
"139577"	433.112876	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+2H"	2.014552
"573670"	649.165676	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+2H"	2.014552
"1046112"	217.060076	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2H"	2.014552
"215837"	289.077676	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+3H"	3.021828
"656858"	433.112876	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+3H"	3.021828
"1176078"	145.042476	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+3H"	3.021828
"434973"	882.245023	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+NH4"	18.033823
"796698"	1314.350623	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+NH4"	18.033823
"1694489"	450.139423	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+NH4"	18.033823
"345446"	441.6261495	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+H+NH4"	19.041099
"738194"	657.6789495	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+H+NH4"	19.041099
"1492052"	225.5733495	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H+NH4"	19.041099
"398943"	887.200418	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+Na"	22.989218
"767594"	1319.306018	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+Na"	22.989218
"1612423"	455.094818	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Na"	22.989218
"324647"	444.103847	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+H+Na"	23.996494
"720347"	660.156647	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+H+Na"	23.996494
"1474169"	228.051047	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H+Na"	23.996494
"1065230"	152.36979	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2H+Na"	25.00377
"1272010"	465.139086	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+CH3OH+H"	33.033486
"392451"	903.174358	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+K"	38.963158
"751943"	1335.279958	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+K"	38.963158
"1554364"	471.068758	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+K"	38.963158
"311177"	452.090817	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+H+K"	39.970434
"703966"	668.143617	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+H+K"	39.970434
"1460822"	236.038017	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H+K"	39.970434
"246025"	906.245026	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+ACN+H"	42.033826
"1222743"	474.139426	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+ACN+H"	42.033826
"1208453"	237.573351	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+ACN+2H"	43.041102
"203145"	909.18236	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+2Na-H"	44.97116
"642710"	1341.28796	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+2Na-H"	44.97116
"1146096"	477.07676	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2Na-H"	44.97116
"188172"	455.094818	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+2Na"	45.978436
"627972"	671.147618	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+2Na"	45.978436
"1130749"	239.042018	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2Na"	45.978436
"1413178"	159.697104	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H+2Na"	46.985712
"1445249"	479.118346	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H+HCOOH"	47.012746
"235648"	460.12784	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+3H2O+2H"	56.04448
"1522686"	493.17039	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+IsoProp+H"	61.06479
"424246"	463.081788	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+Na+K"	61.952376
"785311"	679.134588	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+Na+K"	61.952376
"1680792"	247.028988	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Na+K"	61.952376
"267073"	928.226968	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+ACN+Na"	64.015768
"1240012"	496.121368	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+ACN+Na"	64.015768
"1725620"	496.144893	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+NH4+HCOOH"	64.039293
"1193974"	167.024418	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+3Na"	68.967654
"1658682"	501.100288	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Na+HCOOH"	68.994688
"172102"	941.13024	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+2K-H"	76.91904
"610567"	1373.23584	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+2K-H"	76.91904
"1099213"	509.02464	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2K-H"	76.91904
"157061"	471.068758	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"2M+2K"	77.926316
"590364"	687.121558	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"3M+2K"	77.926316
"1077064"	255.015958	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2K"	77.926316
"1109179"	511.039192	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2K+H"	78.933592
"1346657"	511.126807	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+DMSO+H"	79.021207
"1015188"	515.165976	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2ACN+H"	83.060376
"1533314"	516.159608	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+IsoProp+Na+H"	84.054008
"1000856"	258.086626	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+2ACN+2H"	84.067652
"1589160"	517.074228	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+K+HCOOH"	84.968628
"1419925"	547.105738	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+H+CF3COOH"	115.000138
"1152400"	278.599901	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+3ACN+2H"	125.094202
"1708514"	564.132285	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+NH4+CF3COOH"	132.026685
"1643074"	569.08768	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+Na+CF3COOH"	136.98208
"1577633"	585.06162	"C10345"	"Emodin 8-glucoside;1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-910-anthraquinone"	"C21H20O10"	"432.1056"	"M+K+CF3COOH"	152.95602
"810191"	416.1107	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M"	0
"979349"	397.09231	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-H2O-H"	-19.01839
"67592"	276.399857333333	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M-3H"	-3.021828
"507152"	415.103424	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M-3H"	-3.021828
"886047"	137.696290666667	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-3H"	-3.021828
"5718"	415.103424	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M-2H"	-2.014552
"454028"	623.158774	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M-2H"	-2.014552
"826361"	207.048074	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-2H"	-2.014552
"92194"	831.214124	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M-H"	-1.007276
"532852"	1247.324824	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M-H"	-1.007276
"908108"	415.103424	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-H"	-1.007276
"61869"	848.240671	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M-2H+NH4"	16.019271
"502036"	1264.351371	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M-2H+NH4"	16.019271
"878017"	432.129971	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-2H+NH4"	16.019271
"44456"	853.196066	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M-2H+Na"	20.974666
"484385"	1269.306766	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M-2H+Na"	20.974666
"858538"	437.085366	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-2H+Na"	20.974666
"1624792"	437.085366	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Na-2H"	20.974666
"103509"	433.091763	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M-H+Cl"	33.962126
"540882"	641.147113	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M-H+Cl"	33.962126
"931115"	225.036413	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-H+Cl"	33.962126
"269671"	867.190802	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+Cl"	34.969402
"662095"	1283.301502	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+Cl"	34.969402
"1278873"	451.080102	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Cl"	34.969402
"24711"	869.170006	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M-2H+K"	36.948606
"468647"	1285.280706	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M-2H+K"	36.948606
"847669"	453.059306	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-2H+K"	36.948606
"1569573"	453.059306	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+K-2H"	36.948606
"956978"	461.108894	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-H+HCOOH"	44.998194
"373493"	877.219601	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+HCOOH-H"	44.998201
"359199"	891.235251	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+Hac-H"	59.013851
"1504751"	475.124551	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Hac-H"	59.013851
"973015"	483.090851	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-H+NaCOOH"	66.980151
"113903"	451.080102	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+2Cl"	69.938804
"558207"	659.135452	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+2Cl"	69.938804
"1031378"	243.024752	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2Cl"	69.938804
"1250957"	495.029585	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Br"	78.918885
"1317422"	497.085572	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Cl+HCOOH"	80.974872
"1334310"	519.067529	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Cl+NaCOOH"	102.956829
"923054"	529.096286	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M-H+CF3COOH"	112.985586
"1301586"	565.072964	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Cl+CF3COOH"	148.962264
"1379384"	381.098024	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H-2H2O"	-35.012676
"1388862"	399.108	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H-H2O"	-17.0027
"298235"	833.228676	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+H"	1.007276
"688261"	1249.339376	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+H"	1.007276
"1364611"	417.117976	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H"	1.007276
"131302"	417.117976	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+2H"	2.014552
"574144"	625.173326	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+2H"	2.014552
"1046221"	209.062626	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2H"	2.014552
"216311"	278.414409333333	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+3H"	3.021828
"656968"	417.117976	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+3H"	3.021828
"1176917"	139.710842666667	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+3H"	3.021828
"431804"	850.255223	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+NH4"	18.033823
"794988"	1266.365923	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+NH4"	18.033823
"1691317"	434.144523	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+NH4"	18.033823
"343607"	425.6312495	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+H+NH4"	19.041099
"737978"	633.6865995	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+H+NH4"	19.041099
"1492041"	217.5758995	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H+NH4"	19.041099
"401239"	855.210618	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+Na"	22.989218
"767704"	1271.321318	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+Na"	22.989218
"1616542"	439.099918	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Na"	22.989218
"328526"	428.108947	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+H+Na"	23.996494
"721066"	636.164297	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+H+Na"	23.996494
"1475736"	220.053597	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H+Na"	23.996494
"1068258"	147.038156666667	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2H+Na"	25.00377
"1268839"	449.144186	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+CH3OH+H"	33.033486
"392277"	871.184558	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+K"	38.963158
"752425"	1287.295258	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+K"	38.963158
"1554479"	455.073858	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+K"	38.963158
"313116"	436.095917	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+H+K"	39.970434
"706346"	644.151267	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+H+K"	39.970434
"1460328"	228.040567	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H+K"	39.970434
"249783"	874.255226	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+ACN+H"	42.033826
"1224316"	458.144526	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+ACN+H"	42.033826
"1208564"	229.575901	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+ACN+2H"	43.041102
"202410"	877.19256	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+2Na-H"	44.97116
"644153"	1293.30326	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+2Na-H"	44.97116
"1146894"	461.08186	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2Na-H"	44.97116
"188360"	439.099918	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+2Na"	45.978436
"628489"	647.155268	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+2Na"	45.978436
"1130732"	231.044568	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2Na"	45.978436
"1414161"	154.365470666667	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H+2Na"	46.985712
"1445402"	463.123446	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H+HCOOH"	47.012746
"235542"	444.13294	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+3H2O+2H"	56.04448
"1523527"	477.17549	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+IsoProp+H"	61.06479
"423692"	447.086888	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+Na+K"	61.952376
"785304"	655.142238	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+Na+K"	61.952376
"1680658"	239.031538	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Na+K"	61.952376
"266900"	896.237168	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+ACN+Na"	64.015768
"1239401"	480.126468	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+ACN+Na"	64.015768
"1727557"	480.149993	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+NH4+HCOOH"	64.039293
"1192179"	161.692784666667	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+3Na"	68.967654
"1657699"	485.105388	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Na+HCOOH"	68.994688
"162373"	909.14044	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+2K-H"	76.91904
"603027"	1325.25114	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+2K-H"	76.91904
"1094100"	493.02974	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2K-H"	76.91904
"152011"	455.073858	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"2M+2K"	77.926316
"592662"	663.129208	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"3M+2K"	77.926316
"1072800"	247.018508	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2K"	77.926316
"1106010"	495.044292	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2K+H"	78.933592
"1347863"	495.131907	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+DMSO+H"	79.021207
"1015299"	499.171076	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2ACN+H"	83.060376
"1529051"	500.164708	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+IsoProp+Na+H"	84.054008
"1000966"	250.089176	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+2ACN+2H"	84.067652
"1591094"	501.079328	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+K+HCOOH"	84.968628
"1420035"	531.110838	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+H+CF3COOH"	115.000138
"1152510"	270.602451	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+3ACN+2H"	125.094202
"1705344"	548.137385	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+NH4+CF3COOH"	132.026685
"1643184"	553.09278	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+Na+CF3COOH"	136.98208
"1577743"	569.06672	"C10346"	"Frangulin A"	"C21H20O9"	"416.1107"	"M+K+CF3COOH"	152.95602
"816620"	299.1733	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M"	0
"976180"	280.15491	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-H2O-H"	-19.01839
"67702"	198.441590666667	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M-3H"	-3.021828
"506169"	298.166024	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M-3H"	-3.021828
"882878"	98.7171573333333	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-3H"	-3.021828
"5828"	298.166024	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H"	-2.014552
"454625"	447.752674	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H"	-2.014552
"828658"	148.579374	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-2H"	-2.014552
"93515"	597.339324	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M-H"	-1.007276
"533074"	896.512624	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M-H"	-1.007276
"909054"	298.166024	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-H"	-1.007276
"60522"	614.365871	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H+NH4"	16.019271
"501171"	913.539171	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H+NH4"	16.019271
"877880"	315.192571	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-2H+NH4"	16.019271
"43472"	619.321266	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H+Na"	20.974666
"483033"	918.494566	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H+Na"	20.974666
"859741"	320.147966	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-2H+Na"	20.974666
"1620524"	320.147966	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Na-2H"	20.974666
"94868"	316.154363	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M-H+Cl"	33.962126
"536981"	465.741013	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M-H+Cl"	33.962126
"927946"	166.567713	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-H+Cl"	33.962126
"275252"	633.316002	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+Cl"	34.969402
"660542"	932.489302	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+Cl"	34.969402
"1273878"	334.142702	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl"	34.969402
"16557"	635.295206	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M-2H+K"	36.948606
"457819"	934.468506	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M-2H+K"	36.948606
"839997"	336.121906	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-2H+K"	36.948606
"1565672"	336.121906	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+K-2H"	36.948606
"955378"	344.171494	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-H+HCOOH"	44.998194
"375176"	643.344801	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+HCOOH-H"	44.998201
"358938"	657.360451	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+Hac-H"	59.013851
"1503396"	358.187151	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Hac-H"	59.013851
"971305"	366.153451	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-H+NaCOOH"	66.980151
"117659"	334.142702	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+2Cl"	69.938804
"556125"	483.729352	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+2Cl"	69.938804
"1027842"	184.556052	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2Cl"	69.938804
"1249974"	378.092185	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Br"	78.918885
"1314611"	380.148172	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl+HCOOH"	80.974872
"1333566"	402.130129	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl+NaCOOH"	102.956829
"918791"	412.158886	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M-H+CF3COOH"	112.985586
"1299146"	448.135564	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Cl+CF3COOH"	148.962264
"1375848"	264.160624	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H-2H2O"	-35.012676
"1388971"	282.1706	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H-H2O"	-17.0027
"298232"	599.353876	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+H"	1.007276
"688371"	898.527176	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+H"	1.007276
"1362533"	300.180576	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H"	1.007276
"132505"	300.180576	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+2H"	2.014552
"574254"	449.767226	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+2H"	2.014552
"1047790"	150.593926	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2H"	2.014552
"215693"	200.456142666667	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+3H"	3.021828
"657078"	300.180576	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+3H"	3.021828
"1176663"	100.731709333333	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+3H"	3.021828
"434098"	616.380423	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+NH4"	18.033823
"792911"	915.553723	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+NH4"	18.033823
"1689240"	317.207123	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+NH4"	18.033823
"344083"	308.6938495	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+H+NH4"	19.041099
"736143"	458.2804995	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+H+NH4"	19.041099
"1492028"	159.1071995	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H+NH4"	19.041099
"404265"	621.335818	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+Na"	22.989218
"765628"	920.509118	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+Na"	22.989218
"1617508"	322.162518	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Na"	22.989218
"328875"	311.171547	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+H+Na"	23.996494
"720565"	460.758197	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+H+Na"	23.996494
"1475357"	161.584897	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H+Na"	23.996494
"1067269"	108.059023333333	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2H+Na"	25.00377
"1268217"	332.206786	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+CH3OH+H"	33.033486
"390073"	637.309758	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+K"	38.963158
"753140"	936.483058	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+K"	38.963158
"1554221"	338.136458	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+K"	38.963158
"312130"	319.158517	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+H+K"	39.970434
"705282"	468.745167	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+H+K"	39.970434
"1460198"	169.571867	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H+K"	39.970434
"250138"	640.380426	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+ACN+H"	42.033826
"1224061"	341.207126	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+ACN+H"	42.033826
"1207704"	171.107201	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+ACN+2H"	43.041102
"201180"	643.31776	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+2Na-H"	44.97116
"643296"	942.49106	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+2Na-H"	44.97116
"1146439"	344.14446	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2Na-H"	44.97116
"188271"	322.162518	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+2Na"	45.978436
"628072"	471.749168	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+2Na"	45.978436
"1131089"	172.575868	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2Na"	45.978436
"1413884"	115.386337333333	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H+2Na"	46.985712
"1444417"	346.186046	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H+HCOOH"	47.012746
"234719"	327.19554	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+3H2O+2H"	56.04448
"1523515"	360.23809	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+IsoProp+H"	61.06479
"422221"	330.149488	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+Na+K"	61.952376
"785452"	479.736138	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+Na+K"	61.952376
"1681217"	180.562838	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Na+K"	61.952376
"266964"	662.362368	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+ACN+Na"	64.015768
"1240240"	363.189068	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+ACN+Na"	64.015768
"1725480"	363.212593	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+NH4+HCOOH"	64.039293
"1193144"	122.713651333333	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+3Na"	68.967654
"1661089"	368.167988	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Na+HCOOH"	68.994688
"165763"	675.26564	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+2K-H"	76.91904
"606417"	974.43894	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+2K-H"	76.91904
"1098828"	376.09234	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2K-H"	76.91904
"154308"	338.136458	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"2M+2K"	77.926316
"592772"	487.723108	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"3M+2K"	77.926316
"1074004"	188.549808	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2K"	77.926316
"1106120"	378.106892	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2K+H"	78.933592
"1347973"	378.194507	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+DMSO+H"	79.021207
"1015409"	382.233676	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2ACN+H"	83.060376
"1530254"	383.227308	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+IsoProp+Na+H"	84.054008
"1004725"	191.620476	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+2ACN+2H"	84.067652
"1591205"	384.141928	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+K+HCOOH"	84.968628
"1420145"	414.173438	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+H+CF3COOH"	115.000138
"1151527"	212.133751	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+3ACN+2H"	125.094202
"1705454"	431.199985	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+NH4+CF3COOH"	132.026685
"1643294"	436.15538	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+Na+CF3COOH"	136.98208
"1577853"	452.12932	"C10347"	"Lycopsamine;9-Viridiflorylretronecine"	"C15H25NO5"	"299.1733"	"M+K+CF3COOH"	152.95602
"814782"	239.1521	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M"	0
"975925"	220.13371	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-H2O-H"	-19.01839
"66719"	158.427457333333	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M-3H"	-3.021828
"504456"	238.144824	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M-3H"	-3.021828
"882988"	78.7100906666667	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-3H"	-3.021828
"5938"	238.144824	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M-2H"	-2.014552
"455341"	357.720874	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M-2H"	-2.014552
"828768"	118.568774	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-2H"	-2.014552
"93745"	477.296924	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M-H"	-1.007276
"529415"	716.449024	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M-H"	-1.007276
"909406"	238.144824	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-H"	-1.007276
"60873"	494.323471	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M-2H+NH4"	16.019271
"500065"	733.475571	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M-2H+NH4"	16.019271
"877866"	255.171371	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-2H+NH4"	16.019271
"43582"	499.278866	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M-2H+Na"	20.974666
"484236"	738.430966	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M-2H+Na"	20.974666
"858757"	260.126766	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-2H+Na"	20.974666
"1622821"	260.126766	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Na-2H"	20.974666
"95098"	256.133163	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M-H+Cl"	33.962126
"535634"	375.709213	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M-H+Cl"	33.962126
"928298"	136.557113	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-H+Cl"	33.962126
"275362"	513.273602	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+Cl"	34.969402
"660365"	752.425702	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+Cl"	34.969402
"1273863"	274.121502	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Cl"	34.969402
"17275"	515.252806	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M-2H+K"	36.948606
"457929"	754.404906	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M-2H+K"	36.948606
"841200"	276.100706	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-2H+K"	36.948606
"1566875"	276.100706	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+K-2H"	36.948606
"954758"	284.150294	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-H+HCOOH"	44.998194
"373341"	523.302401	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+HCOOH-H"	44.998201
"358319"	537.318051	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+Hac-H"	59.013851
"1503506"	298.165951	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Hac-H"	59.013851
"968862"	306.132251	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-H+NaCOOH"	66.980151
"112298"	274.121502	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+2Cl"	69.938804
"555869"	393.697552	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+2Cl"	69.938804
"1027588"	154.545452	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2Cl"	69.938804
"1248992"	318.070985	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Br"	78.918885
"1313628"	320.126972	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Cl+HCOOH"	80.974872
"1334164"	342.108929	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Cl+NaCOOH"	102.956829
"921087"	352.137686	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M-H+CF3COOH"	112.985586
"1300349"	388.114364	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Cl+CF3COOH"	148.962264
"1376688"	204.139424	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H-2H2O"	-35.012676
"1389081"	222.1494	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H-H2O"	-17.0027
"297519"	479.311476	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+H"	1.007276
"688845"	718.463576	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+H"	1.007276
"1359363"	240.159376	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H"	1.007276
"131522"	240.159376	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+2H"	2.014552
"574000"	359.735426	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+2H"	2.014552
"1045348"	120.583326	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2H"	2.014552
"216532"	160.442009333333	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+3H"	3.021828
"652810"	240.159376	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+3H"	3.021828
"1173123"	80.7246426666667	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+3H"	3.021828
"434207"	496.338023	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+NH4"	18.033823
"793013"	735.490123	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+NH4"	18.033823
"1692628"	257.185923	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+NH4"	18.033823
"340910"	248.6726495	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+H+NH4"	19.041099
"737346"	368.2486995	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+H+NH4"	19.041099
"1492464"	129.0965995	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H+NH4"	19.041099
"402552"	501.293418	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+Na"	22.989218
"766831"	740.445518	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+Na"	22.989218
"1617861"	262.141318	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Na"	22.989218
"329192"	251.150347	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+H+Na"	23.996494
"721895"	370.726397	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+H+Na"	23.996494
"1473403"	131.574297	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H+Na"	23.996494
"1067910"	88.0519566666667	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2H+Na"	25.00377
"1267234"	272.185586	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+CH3OH+H"	33.033486
"391277"	517.267358	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+K"	38.963158
"753492"	756.419458	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+K"	38.963158
"1554207"	278.115258	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+K"	38.963158
"312604"	259.137317	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+H+K"	39.970434
"706119"	378.713367	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+H+K"	39.970434
"1459941"	139.561267	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H+K"	39.970434
"250612"	520.338026	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+ACN+H"	42.033826
"1224053"	281.185926	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+ACN+H"	42.033826
"1208418"	141.096601	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+ACN+2H"	43.041102
"203359"	523.27536	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+2Na-H"	44.97116
"643405"	762.42746	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+2Na-H"	44.97116
"1146547"	284.12326	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2Na-H"	44.97116
"188181"	262.141318	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+2Na"	45.978436
"627211"	381.717368	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+2Na"	45.978436
"1130590"	142.565268	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2Na"	45.978436
"1413716"	95.3792706666667	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H+2Na"	46.985712
"1444527"	286.164846	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H+HCOOH"	47.012746
"233856"	267.17434	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+3H2O+2H"	56.04448
"1523377"	300.21689	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+IsoProp+H"	61.06479
"421601"	270.128288	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+Na+K"	61.952376
"783691"	389.704338	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+Na+K"	61.952376
"1679657"	150.552238	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Na+K"	61.952376
"266951"	542.319968	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+ACN+Na"	64.015768
"1241164"	303.167868	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+ACN+Na"	64.015768
"1727655"	303.191393	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+NH4+HCOOH"	64.039293
"1193942"	102.706584666667	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+3Na"	68.967654
"1663386"	308.146788	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Na+HCOOH"	68.994688
"165873"	555.22324	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+2K-H"	76.91904
"609807"	794.37534	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+2K-H"	76.91904
"1099184"	316.07114	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2K-H"	76.91904
"155511"	278.115258	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"2M+2K"	77.926316
"592882"	397.691308	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"3M+2K"	77.926316
"1074114"	158.539208	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2K"	77.926316
"1105136"	318.085692	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2K+H"	78.933592
"1344803"	318.173307	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+DMSO+H"	79.021207
"1015519"	322.212476	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2ACN+H"	83.060376
"1531458"	323.206108	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+IsoProp+Na+H"	84.054008
"1003374"	161.609876	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+2ACN+2H"	84.067652
"1591315"	324.120728	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+K+HCOOH"	84.968628
"1420255"	354.152238	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+H+CF3COOH"	115.000138
"1148357"	182.123151	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+3ACN+2H"	125.094202
"1705564"	371.178785	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+NH4+CF3COOH"	132.026685
"1643404"	376.13418	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+Na+CF3COOH"	136.98208
"1577963"	392.10812	"C10348"	"Macrophylline"	"C13H21NO3"	"239.1521"	"M+K+CF3COOH"	152.95602
"814529"	402.0951	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M"	0
"981867"	383.07671	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-H2O-H"	-19.01839
"71204"	267.056124	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M-3H"	-3.021828
"505298"	401.087824	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M-3H"	-3.021828
"883098"	133.024424	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-3H"	-3.021828
"8234"	401.087824	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M-2H"	-2.014552
"447796"	602.135374	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M-2H"	-2.014552
"822315"	200.040274	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-2H"	-2.014552
"88872"	803.182924	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M-H"	-1.007276
"533743"	1205.278024	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M-H"	-1.007276
"910611"	401.087824	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-H"	-1.007276
"60983"	820.209471	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M-2H+NH4"	16.019271
"500540"	1222.304571	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M-2H+NH4"	16.019271
"877986"	418.114371	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-2H+NH4"	16.019271
"44788"	825.164866	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M-2H+Na"	20.974666
"482889"	1227.259966	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M-2H+Na"	20.974666
"856680"	423.069766	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-2H+Na"	20.974666
"1619045"	423.069766	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Na-2H"	20.974666
"98370"	419.076163	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M-H+Cl"	33.962126
"541213"	620.123713	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M-H+Cl"	33.962126
"936915"	218.028613	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-H+Cl"	33.962126
"276566"	839.159602	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+Cl"	34.969402
"667893"	1241.254702	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+Cl"	34.969402
"1281392"	437.064502	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Cl"	34.969402
"23948"	841.138806	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M-2H+K"	36.948606
"462415"	1243.233906	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M-2H+K"	36.948606
"844593"	439.043706	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-2H+K"	36.948606
"1566985"	439.043706	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+K-2H"	36.948606
"956696"	447.093294	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-H+HCOOH"	44.998194
"375275"	849.188401	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+HCOOH-H"	44.998201
"357704"	863.204051	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+Hac-H"	59.013851
"1500336"	461.108951	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Hac-H"	59.013851
"968972"	469.075251	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-H+NaCOOH"	66.980151
"117879"	437.064502	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+2Cl"	69.938804
"557444"	638.112052	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+2Cl"	69.938804
"1027336"	236.016952	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2Cl"	69.938804
"1251290"	481.013985	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Br"	78.918885
"1312644"	483.069972	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Cl+HCOOH"	80.974872
"1323942"	505.051929	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Cl+NaCOOH"	102.956829
"920105"	515.080686	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M-H+CF3COOH"	112.985586
"1300825"	551.057364	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Cl+CF3COOH"	148.962264
"1379351"	367.082424	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H-2H2O"	-35.012676
"1391378"	385.0924	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H-H2O"	-17.0027
"298501"	805.197476	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+H"	1.007276
"689929"	1207.292576	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+H"	1.007276
"1365550"	403.102376	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H"	1.007276
"136008"	403.102376	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+2H"	2.014552
"574474"	604.149926	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+2H"	2.014552
"1044365"	202.054826	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2H"	2.014552
"217370"	269.070676	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+3H"	3.021828
"652920"	403.102376	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+3H"	3.021828
"1175419"	135.038976	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+3H"	3.021828
"437602"	822.224023	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+NH4"	18.033823
"793127"	1224.319123	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+NH4"	18.033823
"1692737"	420.128923	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+NH4"	18.033823
"344302"	411.6156495	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+H+NH4"	19.041099
"736361"	612.6631995	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+H+NH4"	19.041099
"1492411"	210.5680995	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H+NH4"	19.041099
"401569"	827.179418	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+Na"	22.989218
"765848"	1229.274518	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+Na"	22.989218
"1616875"	425.084318	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Na"	22.989218
"329791"	414.093347	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+H+Na"	23.996494
"722455"	615.140897	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+H+Na"	23.996494
"1476682"	213.045797	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H+Na"	23.996494
"1068063"	142.36629	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2H+Na"	25.00377
"1271355"	435.128586	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+CH3OH+H"	33.033486
"390294"	843.153358	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+K"	38.963158
"753117"	1245.248458	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+K"	38.963158
"1554077"	441.058258	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+K"	38.963158
"312712"	422.080317	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+H+K"	39.970434
"706105"	623.127867	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+H+K"	39.970434
"1456764"	221.032767	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H+K"	39.970434
"250472"	846.224026	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+ACN+H"	42.033826
"1224276"	444.128926	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+ACN+H"	42.033826
"1209830"	222.568101	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+ACN+2H"	43.041102
"203553"	849.16136	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+2Na-H"	44.97116
"643922"	1251.25646	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+2Na-H"	44.97116
"1146543"	447.06626	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2Na-H"	44.97116
"188376"	425.084318	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+2Na"	45.978436
"628217"	626.131868	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+2Na"	45.978436
"1131309"	224.036768	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2Na"	45.978436
"1414154"	149.693604	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H+2Na"	46.985712
"1445247"	449.107846	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H+HCOOH"	47.012746
"232504"	430.11734	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+3H2O+2H"	56.04448
"1523122"	463.15989	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+IsoProp+H"	61.06479
"422438"	433.071288	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+Na+K"	61.952376
"783436"	634.118838	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+Na+K"	61.952376
"1679403"	232.023738	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Na+K"	61.952376
"266413"	868.205968	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+ACN+Na"	64.015768
"1240338"	466.110868	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+ACN+Na"	64.015768
"1728289"	466.134393	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+NH4+HCOOH"	64.039293
"1193968"	157.020918	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+3Na"	68.967654
"1664955"	471.089788	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Na+HCOOH"	68.994688
"165983"	881.10924	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+2K-H"	76.91904
"611011"	1283.20434	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+2K-H"	76.91904
"1099781"	479.01414	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2K-H"	76.91904
"156721"	441.058258	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"2M+2K"	77.926316
"596972"	642.105808	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"3M+2K"	77.926316
"1082973"	240.010708	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2K"	77.926316
"1106341"	481.028692	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2K+H"	78.933592
"1343819"	481.116307	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+DMSO+H"	79.021207
"1017816"	485.155476	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2ACN+H"	83.060376
"1535941"	486.149108	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+IsoProp+Na+H"	84.054008
"1003484"	243.081376	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+2ACN+2H"	84.067652
"1592518"	487.063728	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+K+HCOOH"	84.968628
"1420365"	517.095238	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+H+CF3COOH"	115.000138
"1151747"	263.594651	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+3ACN+2H"	125.094202
"1705674"	534.121785	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+NH4+CF3COOH"	132.026685
"1646794"	539.07718	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+Na+CF3COOH"	136.98208
"1574793"	555.05112	"C10349"	"Frangulin B"	"C20H18O9"	"402.0951"	"M+K+CF3COOH"	152.95602
"815003"	325.1525	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M"	0
"984163"	306.13411	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-H2O-H"	-19.01839
"68032"	215.761057333333	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M-3H"	-3.021828
"507593"	324.145224	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M-3H"	-3.021828
"886488"	107.376890666667	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-3H"	-3.021828
"688"	324.145224	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M-2H"	-2.014552
"440409"	486.721474	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M-2H"	-2.014552
"823519"	161.568974	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-2H"	-2.014552
"86791"	649.297724	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M-H"	-1.007276
"531823"	974.450224	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M-H"	-1.007276
"908534"	324.145224	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-H"	-1.007276
"58535"	666.324271	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M-2H+NH4"	16.019271
"498095"	991.476771	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M-2H+NH4"	16.019271
"878459"	341.171771	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-2H+NH4"	16.019271
"43441"	671.279666	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M-2H+Na"	20.974666
"481176"	996.432166	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M-2H+Na"	20.974666
"856790"	346.127166	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-2H+Na"	20.974666
"1618750"	346.127166	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Na-2H"	20.974666
"95321"	342.133563	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M-H+Cl"	33.962126
"538043"	504.709813	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M-H+Cl"	33.962126
"934838"	179.557313	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-H+Cl"	33.962126
"281049"	685.274402	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+Cl"	34.969402
"665816"	1010.426902	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+Cl"	34.969402
"1281501"	360.121902	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Cl"	34.969402
"24058"	687.253606	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M-2H+K"	36.948606
"462525"	1012.406106	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M-2H+K"	36.948606
"844703"	362.101106	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-2H+K"	36.948606
"1567095"	362.101106	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+K-2H"	36.948606
"957170"	370.150694	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-H+HCOOH"	44.998194
"377075"	695.303201	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+HCOOH-H"	44.998201
"358176"	709.318851	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+Hac-H"	59.013851
"1501539"	384.166351	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Hac-H"	59.013851
"967988"	392.132651	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-H+NaCOOH"	66.980151
"113978"	360.121902	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+2Cl"	69.938804
"553173"	522.698152	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+2Cl"	69.938804
"1030725"	197.545652	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2Cl"	69.938804
"1253223"	404.071385	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Br"	78.918885
"1313846"	406.127372	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Cl+HCOOH"	80.974872
"1325508"	428.109329	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Cl+NaCOOH"	102.956829
"920215"	438.138086	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M-H+CF3COOH"	112.985586
"1302394"	474.114764	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Cl+CF3COOH"	148.962264
"1378368"	290.139824	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H-2H2O"	-35.012676
"1388208"	308.1498	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H-H2O"	-17.0027
"296645"	651.312276	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+H"	1.007276
"688702"	976.464776	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+H"	1.007276
"1364323"	326.159776	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H"	1.007276
"136118"	326.159776	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+2H"	2.014552
"573488"	488.736026	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+2H"	2.014552
"1043380"	163.583526	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2H"	2.014552
"217117"	217.775609333333	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+3H"	3.021828
"653030"	326.159776	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+3H"	3.021828
"1172248"	109.391442666667	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+3H"	3.021828
"435887"	668.338823	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+NH4"	18.033823
"797976"	993.491323	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+NH4"	18.033823
"1689566"	343.186323	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+NH4"	18.033823
"343681"	334.6730495	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+H+NH4"	19.041099
"734647"	497.2492995	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+H+NH4"	19.041099
"1491022"	172.0967995	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H+NH4"	19.041099
"396214"	673.294218	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+Na"	22.989218
"764865"	998.446718	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+Na"	22.989218
"1616985"	348.141718	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Na"	22.989218
"329780"	337.150747	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+H+Na"	23.996494
"722604"	499.726997	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+H+Na"	23.996494
"1476707"	174.574497	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H+Na"	23.996494
"1067968"	116.718756666667	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2H+Na"	25.00377
"1271829"	358.185986	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+CH3OH+H"	33.033486
"390404"	689.268158	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+K"	38.963158
"753956"	1014.420658	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+K"	38.963158
"1553823"	364.115658	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+K"	38.963158
"314164"	345.137717	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+H+K"	39.970434
"705243"	507.713967	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+H+K"	39.970434
"1457968"	182.561467	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H+K"	39.970434
"250218"	692.338826	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+ACN+H"	42.033826
"1224386"	367.186326	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+ACN+H"	42.033826
"1209782"	184.096801	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+ACN+2H"	43.041102
"204071"	695.27616	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+2Na-H"	44.97116
"644151"	1020.42866	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+2Na-H"	44.97116
"1147018"	370.12366	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2Na-H"	44.97116
"188503"	348.141718	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+2Na"	45.978436
"628450"	510.717968	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+2Na"	45.978436
"1131188"	185.565468	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2Na"	45.978436
"1413725"	124.046070666667	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H+2Na"	46.985712
"1445431"	372.165246	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H+HCOOH"	47.012746
"232250"	353.17474	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+3H2O+2H"	56.04448
"1522865"	386.21729	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+IsoProp+H"	61.06479
"423521"	356.128688	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+Na+K"	61.952376
"784521"	518.704938	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+Na+K"	61.952376
"1678056"	193.552438	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Na+K"	61.952376
"264213"	714.320768	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+ACN+Na"	64.015768
"1241259"	389.168268	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+ACN+Na"	64.015768
"1728294"	389.191793	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+NH4+HCOOH"	64.039293
"1192985"	131.373384666667	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+3Na"	68.967654
"1663243"	394.147188	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Na+HCOOH"	68.994688
"167186"	727.22404	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+2K-H"	76.91904
"611365"	1052.37654	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+2K-H"	76.91904
"1099774"	402.07154	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2K-H"	76.91904
"156222"	364.115658	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"2M+2K"	77.926316
"597031"	526.691908	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"3M+2K"	77.926316
"1082719"	201.539408	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2K"	77.926316
"1106451"	404.086092	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2K+H"	78.933592
"1346115"	404.173707	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+DMSO+H"	79.021207
"1017926"	408.212876	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2ACN+H"	83.060376
"1536051"	409.206508	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+IsoProp+Na+H"	84.054008
"1002501"	204.610076	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+2ACN+2H"	84.067652
"1595908"	410.121128	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+K+HCOOH"	84.968628
"1421568"	440.152638	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+H+CF3COOH"	115.000138
"1155137"	225.123351	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+3ACN+2H"	125.094202
"1705784"	457.179185	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+NH4+CF3COOH"	132.026685
"1646904"	462.13458	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+Na+CF3COOH"	136.98208
"1574903"	478.10852	"C10350"	"Monocrotaline"	"C16H23NO6"	"325.1525"	"M+K+CF3COOH"	152.95602
"812927"	244.1463	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M"	0
"984273"	225.12791	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-H2O-H"	-19.01839
"67049"	161.756924	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M-3H"	-3.021828
"506610"	243.139024	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M-3H"	-3.021828
"886598"	80.374824	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-3H"	-3.021828
"1891"	243.139024	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M-2H"	-2.014552
"440518"	365.212174	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M-2H"	-2.014552
"823629"	121.065874	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-2H"	-2.014552
"84715"	487.285324	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M-H"	-1.007276
"530839"	731.431624	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M-H"	-1.007276
"906092"	243.139024	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-H"	-1.007276
"54272"	504.311871	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M-2H+NH4"	16.019271
"496019"	748.458171	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M-2H+NH4"	16.019271
"877841"	260.165571	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-2H+NH4"	16.019271
"42457"	509.267266	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M-2H+Na"	20.974666
"479100"	753.413566	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M-2H+Na"	20.974666
"855806"	265.120966	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-2H+Na"	20.974666
"1618820"	265.120966	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Na-2H"	20.974666
"94741"	261.127363	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M-H+Cl"	33.962126
"538153"	383.200513	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M-H+Cl"	33.962126
"934948"	139.054213	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-H+Cl"	33.962126
"274599"	523.262002	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+Cl"	34.969402
"665926"	767.408302	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+Cl"	34.969402
"1278330"	279.115702	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Cl"	34.969402
"25262"	525.241206	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M-2H+K"	36.948606
"465915"	769.387506	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M-2H+K"	36.948606
"840437"	281.094906	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-2H+K"	36.948606
"1567210"	281.094906	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+K-2H"	36.948606
"952906"	289.144494	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-H+HCOOH"	44.998194
"373309"	533.290801	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+HCOOH-H"	44.998201
"356099"	547.306451	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+Hac-H"	59.013851
"1501649"	303.160151	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Hac-H"	59.013851
"968098"	311.126451	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-H+NaCOOH"	66.980151
"111168"	279.115702	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+2Cl"	69.938804
"551462"	401.188852	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+2Cl"	69.938804
"1030834"	157.042552	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2Cl"	69.938804
"1253697"	323.065185	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Br"	78.918885
"1312863"	325.121172	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Cl+HCOOH"	80.974872
"1324525"	347.103129	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Cl+NaCOOH"	102.956829
"920325"	357.131886	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M-H+CF3COOH"	112.985586
"1302504"	393.108564	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Cl+CF3COOH"	148.962264
"1376290"	209.133624	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H-2H2O"	-35.012676
"1389411"	227.1436	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H-H2O"	-17.0027
"296755"	489.299876	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+H"	1.007276
"685896"	733.446176	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+H"	1.007276
"1362610"	245.153576	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H"	1.007276
"136228"	245.153576	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+2H"	2.014552
"570318"	367.226726	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+2H"	2.014552
"1045677"	123.080426	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2H"	2.014552
"216862"	163.771476	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+3H"	3.021828
"650952"	245.153576	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+3H"	3.021828
"1169077"	82.389376	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+3H"	3.021828
"427974"	506.326423	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+NH4"	18.033823
"793344"	750.472723	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+NH4"	18.033823
"1688580"	262.180123	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+NH4"	18.033823
"343061"	253.6668495	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+H+NH4"	19.041099
"735850"	375.7399995	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+H+NH4"	19.041099
"1489670"	131.5936995	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H+NH4"	19.041099
"400697"	511.281818	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+Na"	22.989218
"764975"	755.428118	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+Na"	22.989218
"1615273"	267.135518	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Na"	22.989218
"328468"	256.144547	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+H+Na"	23.996494
"722661"	378.217697	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+H+Na"	23.996494
"1475437"	134.071397	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H+Na"	23.996494
"1068077"	89.71669	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2H+Na"	25.00377
"1269752"	277.179786	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+CH3OH+H"	33.033486
"387234"	527.255758	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+K"	38.963158
"751511"	771.402058	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+K"	38.963158
"1553932"	283.109458	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+K"	38.963158
"313297"	264.131517	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+H+K"	39.970434
"706447"	386.204667	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+H+K"	39.970434
"1455892"	142.058367	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H+K"	39.970434
"244493"	530.326426	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+ACN+H"	42.033826
"1223401"	286.180126	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+ACN+H"	42.033826
"1207284"	143.593701	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+ACN+2H"	43.041102
"204236"	533.26376	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+2Na-H"	44.97116
"644070"	777.41006	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+2Na-H"	44.97116
"1146688"	289.11746	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2Na-H"	44.97116
"188021"	267.135518	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+2Na"	45.978436
"628310"	389.208668	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+2Na"	45.978436
"1129947"	145.062368	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2Na"	45.978436
"1412496"	97.044004	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H+2Na"	46.985712
"1444979"	291.159046	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H+HCOOH"	47.012746
"229808"	272.16854	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+3H2O+2H"	56.04448
"1522610"	305.21109	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+IsoProp+H"	61.06479
"421564"	275.122488	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+Na+K"	61.952376
"783656"	397.195638	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+Na+K"	61.952376
"1679259"	153.049338	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Na+K"	61.952376
"265051"	552.308368	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+ACN+Na"	64.015768
"1239827"	308.162068	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+ACN+Na"	64.015768
"1727745"	308.185593	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+NH4+HCOOH"	64.039293
"1189448"	104.371318	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+3Na"	68.967654
"1663596"	313.140988	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Na+HCOOH"	68.994688
"166203"	565.21164	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+2K-H"	76.91904
"609043"	809.35794	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+2K-H"	76.91904
"1099762"	321.06534	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2K-H"	76.91904
"155723"	283.109458	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"2M+2K"	77.926316
"596133"	405.182608	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"3M+2K"	77.926316
"1083438"	161.036308	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2K"	77.926316
"1106561"	323.079892	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2K+H"	78.933592
"1349020"	323.167507	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+DMSO+H"	79.021207
"1019981"	327.206676	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2ACN+H"	83.060376
"1535068"	328.200308	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+IsoProp+Na+H"	84.054008
"1003704"	164.106976	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+2ACN+2H"	84.067652
"1596018"	329.114928	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+K+HCOOH"	84.968628
"1421678"	359.146438	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+H+CF3COOH"	115.000138
"1151967"	184.620251	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+3ACN+2H"	125.094202
"1702614"	376.172985	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+NH4+CF3COOH"	132.026685
"1643734"	381.12838	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+Na+CF3COOH"	136.98208
"1575013"	397.10232	"C10351"	"Geranylbenzoquinone"	"C16H20O2"	"244.1463"	"M+K+CF3COOH"	152.95602
"814130"	258.0892	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M"	0
"982196"	239.07081	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"67159"	171.052190666667	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"507813"	257.081924	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"887803"	85.0224573333333	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"1636"	257.081924	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"442652"	386.126524	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"823739"	128.037324	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"84825"	515.171124	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"526574"	773.260324	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"907659"	257.081924	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"55475"	532.197671	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"496129"	790.286871	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"877954"	274.108471	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"45972"	537.153066	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"481396"	795.242266	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"857009"	279.063866	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1628732"	279.063866	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"107083"	275.070263	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"543732"	404.114863	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"937245"	146.025663	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"274709"	551.147802	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"666036"	809.237002	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1280629"	293.058602	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"26101"	553.127006	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"463839"	811.216206	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"841645"	295.037806	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1569143"	295.037806	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"951924"	303.087394	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"372326"	561.176601	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"355116"	575.192251	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1500668"	317.103051	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"967115"	325.069351	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"114560"	293.058602	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"550596"	422.103202	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1025473"	164.014002	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1250520"	337.008085	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1310782"	339.064072	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1324269"	361.046029	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"919336"	371.074786	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1293859"	407.051464	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1373117"	223.076524	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1383561"	241.0865	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"285557"	517.185676	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"678345"	775.274876	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1353965"	259.096476	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"128679"	259.096476	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"572614"	388.141076	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1045058"	130.051876	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"209676"	173.066742666667	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"645955"	259.096476	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1166264"	87.0370093333333	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"428440"	534.212223	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"789076"	792.301423	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1688690"	276.123023	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"342440"	267.6097495	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"735595"	396.6543495	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1488684"	138.5651495	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"400807"	539.167618	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"761799"	797.256818	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1616113"	281.078418	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"328944"	270.087447	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"721247"	399.132047	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1475794"	141.042847	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1066491"	94.3643233333333	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1271566"	291.122686	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"391477"	555.141558	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"749433"	813.230758	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1554530"	297.052358	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"313408"	278.074417	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"704369"	407.119017	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1456002"	149.029817	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"244603"	558.212226	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1224485"	300.123026	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1209852"	150.565151	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"203766"	561.14956	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"644174"	819.23876	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1146142"	303.06036	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"187854"	281.078418	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"628146"	410.123018	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1130912"	152.033818	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1412485"	101.691637333333	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1443504"	305.101946	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"233928"	286.11144	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1520897"	319.15399	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"420945"	289.065388	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"783035"	418.109988	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1673898"	160.020788	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"263701"	580.194168	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1240918"	322.104968	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1727373"	322.128493	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1193570"	109.018951333333	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1665165"	327.083888	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"172390"	593.09744	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"612558"	851.18664	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1095852"	335.00824	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"156446"	297.052358	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"596606"	426.096958	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1077837"	168.007758	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1113232"	337.022792	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1346336"	337.110407	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1015960"	341.149576	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1538217"	342.143208	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1001626"	171.078426	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1597222"	343.057828	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1425069"	373.089338	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1152077"	191.591701	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1702724"	390.115885	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1647123"	395.07128	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1575123"	411.04522	"C10352"	"Hibiscoquinone A"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"815334"	337.1889	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M"	0
"977932"	318.17051	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-H2O-H"	-19.01839
"67267"	223.785324	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M-3H"	-3.021828
"503297"	336.181624	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M-3H"	-3.021828
"880735"	111.389024	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-3H"	-3.021828
"2468"	336.181624	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M-2H"	-2.014552
"440818"	504.776074	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M-2H"	-2.014552
"818376"	167.587174	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-2H"	-2.014552
"82017"	673.370524	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M-H"	-1.007276
"521941"	1010.559424	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M-H"	-1.007276
"903394"	336.181624	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-H"	-1.007276
"55583"	690.397071	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M-2H+NH4"	16.019271
"490041"	1027.585971	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M-2H+NH4"	16.019271
"878789"	353.208171	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-2H+NH4"	16.019271
"45229"	695.352466	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M-2H+Na"	20.974666
"483692"	1032.541366	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M-2H+Na"	20.974666
"860400"	358.163566	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-2H+Na"	20.974666
"1628842"	358.163566	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Na-2H"	20.974666
"104277"	354.169963	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M-H+Cl"	33.962126
"544571"	522.764413	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M-H+Cl"	33.962126
"936262"	185.575513	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-H+Cl"	33.962126
"273726"	709.347202	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+Cl"	34.969402
"666146"	1046.536102	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+Cl"	34.969402
"1281831"	372.158302	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Cl"	34.969402
"20377"	711.326406	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M-2H+K"	36.948606
"457752"	1048.515306	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M-2H+K"	36.948606
"836646"	374.137506	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-2H+K"	36.948606
"1568520"	374.137506	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+K-2H"	36.948606
"950938"	382.187094	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-H+HCOOH"	44.998194
"370248"	719.376001	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+HCOOH-H"	44.998201
"354128"	733.391651	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+Hac-H"	59.013851
"1498586"	396.202751	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Hac-H"	59.013851
"969408"	404.169051	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-H+NaCOOH"	66.980151
"112478"	372.158302	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+2Cl"	69.938804
"550949"	540.752752	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+2Cl"	69.938804
"1025583"	203.563852	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2Cl"	69.938804
"1250630"	416.107785	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Br"	78.918885
"1310892"	418.163772	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Cl+HCOOH"	80.974872
"1324015"	440.145729	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Cl+NaCOOH"	102.956829
"919446"	450.174486	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M-H+CF3COOH"	112.985586
"1292875"	486.151164	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Cl+CF3COOH"	148.962264
"1373227"	302.176224	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H-2H2O"	-35.012676
"1383432"	320.1862	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H-H2O"	-17.0027
"287126"	675.385076	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+H"	1.007276
"679184"	1012.573976	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+H"	1.007276
"1354077"	338.196176	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H"	1.007276
"130975"	338.196176	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+2H"	2.014552
"572724"	506.790626	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+2H"	2.014552
"1045896"	169.601726	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2H"	2.014552
"209422"	225.799876	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+3H"	3.021828
"645336"	338.196176	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+3H"	3.021828
"1166015"	113.403576	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+3H"	3.021828
"428190"	692.411623	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+NH4"	18.033823
"789186"	1029.600523	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+NH4"	18.033823
"1685520"	355.222723	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+NH4"	18.033823
"341457"	346.7094495	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+H+NH4"	19.041099
"736066"	515.3038995	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+H+NH4"	19.041099
"1489887"	178.1149995	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H+NH4"	19.041099
"402007"	697.367018	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+Na"	22.989218
"760815"	1034.555918	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+Na"	22.989218
"1617924"	360.178118	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Na"	22.989218
"329663"	349.187147	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+H+Na"	23.996494
"721960"	517.781597	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+H+Na"	23.996494
"1476511"	180.592697	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H+Na"	23.996494
"1068176"	120.73089	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2H+Na"	25.00377
"1272526"	370.222386	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+CH3OH+H"	33.033486
"388547"	713.340958	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+K"	38.963158
"750636"	1050.529858	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+K"	38.963158
"1554399"	376.152058	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+K"	38.963158
"312426"	357.174117	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+H+K"	39.970434
"703386"	525.768567	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+H+K"	39.970434
"1456112"	188.579667	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H+K"	39.970434
"243620"	716.411626	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+ACN+H"	42.033826
"1224110"	379.222726	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+ACN+H"	42.033826
"1207140"	190.115001	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+ACN+2H"	43.041102
"203188"	719.34896	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+2Na-H"	44.97116
"643712"	1056.53786	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+2Na-H"	44.97116
"1146741"	382.16006	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2Na-H"	44.97116
"188468"	360.178118	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+2Na"	45.978436
"628373"	528.772568	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+2Na"	45.978436
"1130411"	191.583668	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2Na"	45.978436
"1410770"	128.058204	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H+2Na"	46.985712
"1442520"	384.201646	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H+HCOOH"	47.012746
"231122"	365.21114	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+3H2O+2H"	56.04448
"1518091"	398.25369	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+IsoProp+H"	61.06479
"419961"	368.165088	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+Na+K"	61.952376
"777677"	536.759538	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+Na+K"	61.952376
"1674008"	199.570638	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Na+K"	61.952376
"263447"	738.393568	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+ACN+Na"	64.015768
"1240982"	401.204668	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+ACN+Na"	64.015768
"1728089"	401.228193	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+NH4+HCOOH"	64.039293
"1193315"	135.385518	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+3Na"	68.967654
"1664545"	406.183588	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Na+HCOOH"	68.994688
"172501"	751.29684	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+2K-H"	76.91904
"611452"	1088.48574	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+2K-H"	76.91904
"1095962"	414.10794	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2K-H"	76.91904
"156310"	376.152058	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"2M+2K"	77.926316
"596475"	544.746508	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"3M+2K"	77.926316
"1077947"	207.557608	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2K"	77.926316
"1113342"	416.122492	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2K+H"	78.933592
"1349241"	416.210107	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+DMSO+H"	79.021207
"1019109"	420.249276	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2ACN+H"	83.060376
"1538449"	421.242908	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+IsoProp+Na+H"	84.054008
"998456"	210.628276	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+2ACN+2H"	84.067652
"1596239"	422.157528	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+K+HCOOH"	84.968628
"1421899"	452.189038	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+H+CF3COOH"	115.000138
"1154374"	231.141551	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+3ACN+2H"	125.094202
"1706114"	469.215585	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+NH4+CF3COOH"	132.026685
"1647233"	474.17098	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+Na+CF3COOH"	136.98208
"1575233"	490.14492	"C10353"	"Nemorensine;C(16a)-Homo-21-norsenecionan-1116a-dione 1215-epoxy-121520-tetrahydro- (1alpha12R15R)-"	"C18H27NO5"	"337.1889"	"M+K+CF3COOH"	152.95602
"815443"	238.063	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M"	0
"982415"	219.04461	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-H2O-H"	-19.01839
"66284"	157.701390666667	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M-3H"	-3.021828
"503649"	237.055724	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M-3H"	-3.021828
"882187"	78.3470573333333	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-3H"	-3.021828
"676"	237.055724	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M-2H"	-2.014552
"445063"	356.087224	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M-2H"	-2.014552
"825052"	118.024224	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-2H"	-2.014552
"81763"	475.118724	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M-H"	-1.007276
"522051"	713.181724	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M-H"	-1.007276
"903499"	237.055724	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-H"	-1.007276
"56786"	492.145271	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M-2H+NH4"	16.019271
"497439"	730.208271	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M-2H+NH4"	16.019271
"878171"	254.082271	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-2H+NH4"	16.019271
"44610"	497.100666	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M-2H+Na"	20.974666
"485626"	735.163666	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M-2H+Na"	20.974666
"861607"	259.037666	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-2H+Na"	20.974666
"1630045"	259.037666	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Na-2H"	20.974666
"104387"	255.044063	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M-H+Cl"	33.962126
"545045"	374.075563	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M-H+Cl"	33.962126
"935278"	136.012563	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-H+Cl"	33.962126
"273836"	511.095402	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+Cl"	34.969402
"667349"	749.158402	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+Cl"	34.969402
"1281941"	273.032402	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Cl"	34.969402
"23403"	513.074606	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M-2H+K"	36.948606
"460778"	751.137606	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M-2H+K"	36.948606
"837849"	275.011606	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-2H+K"	36.948606
"1567537"	275.011606	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+K-2H"	36.948606
"955785"	283.061194	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-H+HCOOH"	44.998194
"369994"	521.124201	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+HCOOH-H"	44.998201
"357154"	535.139851	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+Hac-H"	59.013851
"1499060"	297.076851	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Hac-H"	59.013851
"970611"	305.043151	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-H+NaCOOH"	66.980151
"114046"	273.032402	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+2Cl"	69.938804
"551180"	392.063902	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+2Cl"	69.938804
"1026057"	154.000902	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2Cl"	69.938804
"1249647"	316.981885	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Br"	78.918885
"1314282"	319.037872	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Cl+HCOOH"	80.974872
"1324125"	341.019829	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Cl+NaCOOH"	102.956829
"919556"	351.048586	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M-H+CF3COOH"	112.985586
"1295172"	387.025264	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Cl+CF3COOH"	148.962264
"1376617"	203.050324	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H-2H2O"	-35.012676
"1387188"	221.0603	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H-H2O"	-17.0027
"287602"	477.133276	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+H"	1.007276
"684033"	715.196276	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+H"	1.007276
"1354551"	239.070276	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H"	1.007276
"132543"	239.070276	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+2H"	2.014552
"575021"	358.101776	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+2H"	2.014552
"1043820"	120.038776	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2H"	2.014552
"209533"	159.715942666667	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+3H"	3.021828
"647269"	239.070276	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+3H"	3.021828
"1165032"	80.3616093333333	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+3H"	3.021828
"428303"	494.159823	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+NH4"	18.033823
"790389"	732.222823	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+NH4"	18.033823
"1683438"	256.096823	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+NH4"	18.033823
"334999"	247.5835495	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+H+NH4"	19.041099
"726692"	366.6150495	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+H+NH4"	19.041099
"1481242"	128.5520495	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H+NH4"	19.041099
"395555"	499.115218	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+Na"	22.989218
"758733"	737.178218	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+Na"	22.989218
"1618235"	261.052218	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Na"	22.989218
"329852"	250.061247	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+H+Na"	23.996494
"722559"	369.092747	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+H+Na"	23.996494
"1476782"	131.029747	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H+Na"	23.996494
"1068293"	87.6889233333333	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2H+Na"	25.00377
"1270082"	271.096486	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+CH3OH+H"	33.033486
"388657"	515.089158	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+K"	38.963158
"751839"	753.152158	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+K"	38.963158
"1554631"	277.026158	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+K"	38.963158
"311805"	258.048217	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+H+K"	39.970434
"706050"	377.079717	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+H+K"	39.970434
"1457315"	139.016717	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H+K"	39.970434
"243730"	518.159826	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+ACN+H"	42.033826
"1224220"	280.096826	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+ACN+H"	42.033826
"1207614"	140.552051	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+ACN+2H"	43.041102
"204133"	521.09716	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+2Na-H"	44.97116
"643701"	759.16016	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+2Na-H"	44.97116
"1146566"	283.03416	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2Na-H"	44.97116
"188274"	261.052218	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+2Na"	45.978436
"628360"	380.083718	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+2Na"	45.978436
"1131007"	142.020718	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2Na"	45.978436
"1411244"	95.0162373333333	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H+2Na"	46.985712
"1444453"	285.075746	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H+HCOOH"	47.012746
"231232"	266.08524	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+3H2O+2H"	56.04448
"1521117"	299.12779	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+IsoProp+H"	61.06479
"421529"	269.039188	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+Na+K"	61.952376
"782890"	388.070688	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+Na+K"	61.952376
"1676305"	150.007688	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Na+K"	61.952376
"264653"	540.141768	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+ACN+Na"	64.015768
"1238823"	302.078768	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+ACN+Na"	64.015768
"1724790"	302.102293	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+NH4+HCOOH"	64.039293
"1189778"	102.343551333333	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+3Na"	68.967654
"1665020"	307.057688	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Na+HCOOH"	68.994688
"169813"	553.04504	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+2K-H"	76.91904
"609373"	791.10804	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+2K-H"	76.91904
"1097895"	314.98204	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2K-H"	76.91904
"155935"	277.026158	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"2M+2K"	77.926316
"596709"	396.057658	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"3M+2K"	77.926316
"1081337"	157.994658	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2K"	77.926316
"1114184"	316.996592	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2K+H"	78.933592
"1349473"	317.084207	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+DMSO+H"	79.021207
"1019340"	321.123376	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2ACN+H"	83.060376
"1538437"	322.117008	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+IsoProp+Na+H"	84.054008
"998566"	161.065326	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+2ACN+2H"	84.067652
"1594162"	323.031628	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+K+HCOOH"	84.968628
"1422009"	353.063138	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+H+CF3COOH"	115.000138
"1155577"	181.578601	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+3ACN+2H"	125.094202
"1706224"	370.089685	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+NH4+CF3COOH"	132.026685
"1647343"	375.04508	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+Na+CF3COOH"	136.98208
"1575343"	391.01902	"C10354"	"2-Hydroxymethylanthraquinone;Anthraquinone-2-methanol"	"C15H10O3"	"238.063"	"M+K+CF3COOH"	152.95602
"813365"	332.0685	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M"	0
"982525"	313.05011	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-H2O-H"	-19.01839
"66394"	220.371724	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M-3H"	-3.021828
"502853"	331.061224	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M-3H"	-3.021828
"882663"	109.682224	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-3H"	-3.021828
"221"	331.061224	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M-2H"	-2.014552
"440800"	497.095474	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M-2H"	-2.014552
"821882"	165.026974	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-2H"	-2.014552
"80780"	663.129724	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M-H"	-1.007276
"519246"	995.198224	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M-H"	-1.007276
"901423"	331.061224	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-H"	-1.007276
"59082"	680.156271	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M-2H+NH4"	16.019271
"496456"	1012.224771	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M-2H+NH4"	16.019271
"876449"	348.087771	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-2H+NH4"	16.019271
"45451"	685.111666	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M-2H+Na"	20.974666
"482821"	1017.180166	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M-2H+Na"	20.974666
"860260"	353.043166	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-2H+Na"	20.974666
"1631248"	353.043166	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Na-2H"	20.974666
"104497"	349.049563	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M-H+Cl"	33.962126
"545884"	515.083813	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M-H+Cl"	33.962126
"936481"	183.015313	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-H+Cl"	33.962126
"277225"	699.106402	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+Cl"	34.969402
"668552"	1031.174902	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+Cl"	34.969402
"1279863"	367.037902	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Cl"	34.969402
"21326"	701.085606	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M-2H+K"	36.948606
"457361"	1033.154106	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M-2H+K"	36.948606
"836864"	369.017106	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-2H+K"	36.948606
"1568374"	369.017106	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+K-2H"	36.948606
"953342"	377.066694	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-H+HCOOH"	44.998194
"369370"	709.135201	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+HCOOH-H"	44.998201
"351431"	723.150851	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+Hac-H"	59.013851
"1498805"	391.082351	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Hac-H"	59.013851
"970721"	399.048651	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-H+NaCOOH"	66.980151
"113062"	367.037902	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+2Cl"	69.938804
"552263"	533.072152	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+2Cl"	69.938804
"1025803"	201.003652	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2Cl"	69.938804
"1250850"	410.987385	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Br"	78.918885
"1315485"	413.043372	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Cl+HCOOH"	80.974872
"1326421"	435.025329	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Cl+NaCOOH"	102.956829
"920759"	445.054086	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M-H+CF3COOH"	112.985586
"1295282"	481.030764	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Cl+CF3COOH"	148.962264
"1376727"	297.055824	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H-2H2O"	-35.012676
"1385839"	315.0658	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H-H2O"	-17.0027
"294273"	665.144276	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+H"	1.007276
"686695"	997.212776	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+H"	1.007276
"1354297"	333.075776	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H"	1.007276
"133018"	333.075776	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+2H"	2.014552
"575860"	499.110026	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+2H"	2.014552
"1045752"	167.041526	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2H"	2.014552
"209643"	222.386276	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+3H"	3.021828
"645922"	333.075776	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+3H"	3.021828
"1166235"	111.696776	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+3H"	3.021828
"427320"	682.170823	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+NH4"	18.033823
"789406"	1014.239323	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+NH4"	18.033823
"1684641"	350.102323	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+NH4"	18.033823
"332923"	341.5890495	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+H+NH4"	19.041099
"726436"	507.6232995	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+H+NH4"	19.041099
"1480259"	175.5547995	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H+NH4"	19.041099
"397848"	687.126218	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+Na"	22.989218
"758842"	1019.194718	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+Na"	22.989218
"1612434"	355.057718	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Na"	22.989218
"325750"	344.066747	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+H+Na"	23.996494
"719260"	510.100997	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+H+Na"	23.996494
"1475267"	178.032497	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H+Na"	23.996494
"1064139"	119.02409	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2H+Na"	25.00377
"1269097"	365.101986	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+CH3OH+H"	33.033486
"386576"	703.100158	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+K"	38.963158
"744290"	1035.168658	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+K"	38.963158
"1549627"	371.031658	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+K"	38.963158
"313733"	352.053717	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+H+K"	39.970434
"705792"	518.087967	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+H+K"	39.970434
"1455239"	186.019467	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H+K"	39.970434
"243840"	706.170826	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+ACN+H"	42.033826
"1217641"	374.102326	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+ACN+H"	42.033826
"1207359"	187.554801	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+ACN+2H"	43.041102
"200958"	709.10816	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+2Na-H"	44.97116
"641979"	1041.17666	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+2Na-H"	44.97116
"1145483"	377.03966	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2Na-H"	44.97116
"187318"	355.057718	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+2Na"	45.978436
"627241"	521.091968	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+2Na"	45.978436
"1130379"	189.023468	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2Na"	45.978436
"1410624"	126.351404	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H+2Na"	46.985712
"1441644"	379.081246	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H+HCOOH"	47.012746
"229151"	360.09074	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+3H2O+2H"	56.04448
"1521588"	393.13329	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+IsoProp+H"	61.06479
"421274"	363.044688	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+Na+K"	61.952376
"780079"	529.078938	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+Na+K"	61.952376
"1674227"	197.010438	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Na+K"	61.952376
"265490"	728.152768	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+ACN+Na"	64.015768
"1233459"	396.084268	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+ACN+Na"	64.015768
"1725627"	396.107793	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+NH4+HCOOH"	64.039293
"1190617"	133.678718	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+3Na"	68.967654
"1655406"	401.063188	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Na+HCOOH"	68.994688
"168829"	741.05604	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+2K-H"	76.91904
"602921"	1073.12454	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+2K-H"	76.91904
"1098005"	408.98754	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2K-H"	76.91904
"154092"	371.031658	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"2M+2K"	77.926316
"597022"	537.065908	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"3M+2K"	77.926316
"1078167"	204.997408	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2K"	77.926316
"1114415"	411.002092	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2K+H"	78.933592
"1349583"	411.089707	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+DMSO+H"	79.021207
"1019450"	415.128876	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2ACN+H"	83.060376
"1537575"	416.122508	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+IsoProp+Na+H"	84.054008
"998676"	208.068076	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+2ACN+2H"	84.067652
"1596459"	417.037128	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+K+HCOOH"	84.968628
"1425399"	447.068638	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+H+CF3COOH"	115.000138
"1157874"	228.581351	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+3ACN+2H"	125.094202
"1703053"	464.095185	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+NH4+CF3COOH"	132.026685
"1649643"	469.05058	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+Na+CF3COOH"	136.98208
"1576546"	485.02452	"C10355"	"Hypoxylone"	"C20H12O5"	"332.0685"	"M+K+CF3COOH"	152.95602
"814568"	185.1052	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M"	0
"979355"	166.08681	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-H2O-H"	-19.01839
"68691"	122.396190666667	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M-3H"	-3.021828
"504602"	184.097924	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M-3H"	-3.021828
"881680"	60.6944573333333	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-3H"	-3.021828
"2441"	184.097924	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M-2H"	-2.014552
"440910"	276.650524	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M-2H"	-2.014552
"820899"	91.545324	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-2H"	-2.014552
"79797"	369.203124	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M-H"	-1.007276
"523731"	554.308324	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M-H"	-1.007276
"903720"	184.097924	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-H"	-1.007276
"55912"	386.229671	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M-2H+NH4"	16.019271
"494377"	571.334871	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M-2H+NH4"	16.019271
"878383"	201.124471	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-2H+NH4"	16.019271
"44831"	391.185066	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M-2H+Na"	20.974666
"484753"	576.290266	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M-2H+Na"	20.974666
"861464"	206.079866	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-2H+Na"	20.974666
"1628078"	206.079866	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Na-2H"	20.974666
"101327"	202.086263	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M-H+Cl"	33.962126
"544901"	294.638863	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M-H+Cl"	33.962126
"935498"	109.533663	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-H+Cl"	33.962126
"275149"	405.179802	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+Cl"	34.969402
"669756"	590.285002	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+Cl"	34.969402
"1279973"	220.074602	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Cl"	34.969402
"21800"	407.159006	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M-2H+K"	36.948606
"459173"	592.264206	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M-2H+K"	36.948606
"837703"	222.053806	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-2H+K"	36.948606
"1565569"	222.053806	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+K-2H"	36.948606
"954182"	230.103394	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-H+HCOOH"	44.998194
"369480"	415.208601	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+HCOOH-H"	44.998201
"353364"	429.224251	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+Hac-H"	59.013851
"1495999"	244.119051	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Hac-H"	59.013851
"968645"	252.085351	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-H+NaCOOH"	66.980151
"110986"	220.074602	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+2Cl"	69.938804
"552373"	312.627202	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+2Cl"	69.938804
"1028099"	127.522002	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2Cl"	69.938804
"1252053"	264.024085	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Br"	78.918885
"1314502"	266.080072	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Cl+HCOOH"	80.974872
"1323615"	288.062029	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Cl+NaCOOH"	102.956829
"917589"	298.090786	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M-H+CF3COOH"	112.985586
"1294299"	334.067464	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Cl+CF3COOH"	148.962264
"1379389"	150.092524	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H-2H2O"	-35.012676
"1389959"	168.1025	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H-H2O"	-17.0027
"290738"	371.217676	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+H"	1.007276
"686805"	556.322876	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+H"	1.007276
"1357323"	186.112476	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H"	1.007276
"133492"	186.112476	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+2H"	2.014552
"576334"	278.665076	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+2H"	2.014552
"1045133"	93.559876	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2H"	2.014552
"208660"	124.410742666667	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+3H"	3.021828
"646760"	186.112476	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+3H"	3.021828
"1163551"	62.7090093333333	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+3H"	3.021828
"425244"	388.244223	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+NH4"	18.033823
"789516"	573.349423	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+NH4"	18.033823
"1683658"	203.139023	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+NH4"	18.033823
"335219"	194.6257495	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+H+NH4"	19.041099
"723182"	287.1783495	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+H+NH4"	19.041099
"1481461"	102.0731495	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H+NH4"	19.041099
"399051"	393.199618	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+Na"	22.989218
"760045"	578.304818	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+Na"	22.989218
"1614726"	208.094418	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Na"	22.989218
"329020"	197.103447	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+H+Na"	23.996494
"721194"	289.656047	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+H+Na"	23.996494
"1476798"	104.550847	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H+Na"	23.996494
"1065342"	70.0363233333333	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2H+Na"	25.00377
"1271272"	218.138686	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+CH3OH+H"	33.033486
"386686"	409.173558	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+K"	38.963158
"745494"	594.278758	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+K"	38.963158
"1553018"	224.068358	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+K"	38.963158
"313682"	205.090417	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+H+K"	39.970434
"706711"	297.643017	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+H+K"	39.970434
"1459360"	112.537817	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H+K"	39.970434
"248323"	412.244226	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+ACN+H"	42.033826
"1222124"	227.139026	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+ACN+H"	42.033826
"1207836"	114.073151	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+ACN+2H"	43.041102
"201433"	415.18156	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+2Na-H"	44.97116
"642700"	600.28676	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+2Na-H"	44.97116
"1144747"	230.07636	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2Na-H"	44.97116
"187552"	208.094418	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+2Na"	45.978436
"626990"	300.647018	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+2Na"	45.978436
"1130127"	115.541818	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2Na"	45.978436
"1413285"	77.3636373333333	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H+2Na"	46.985712
"1442847"	232.117946	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H+HCOOH"	47.012746
"234726"	213.12744	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+3H2O+2H"	56.04448
"1522792"	246.16999	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+IsoProp+H"	61.06479
"423207"	216.081388	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+Na+K"	61.952376
"782375"	308.633988	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+Na+K"	61.952376
"1673243"	123.528788	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Na+K"	61.952376
"264141"	434.226168	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+ACN+Na"	64.015768
"1233569"	249.120968	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+ACN+Na"	64.015768
"1722455"	249.144493	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+NH4+HCOOH"	64.039293
"1187810"	84.6909513333333	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+3Na"	68.967654
"1653329"	254.099888	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Na+HCOOH"	68.994688
"167844"	447.12944	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+2K-H"	76.91904
"605217"	632.23464	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+2K-H"	76.91904
"1098602"	262.02424	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2K-H"	76.91904
"154201"	224.068358	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"2M+2K"	77.926316
"594736"	316.620958	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"3M+2K"	77.926316
"1083016"	131.515758	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2K"	77.926316
"1112581"	264.038792	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2K+H"	78.933592
"1349329"	264.126407	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+DMSO+H"	79.021207
"1017494"	268.165576	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2ACN+H"	83.060376
"1533432"	269.159208	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+IsoProp+Na+H"	84.054008
"1004010"	134.586426	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+2ACN+2H"	84.067652
"1594382"	270.073828	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+K+HCOOH"	84.968628
"1425509"	300.105338	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+H+CF3COOH"	115.000138
"1159077"	155.099701	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+3ACN+2H"	125.094202
"1703163"	317.131885	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+NH4+CF3COOH"	132.026685
"1649387"	322.08728	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+Na+CF3COOH"	136.98208
"1576656"	338.06122	"C10356"	"Otonecine;(1R4beta7abeta)-2357a-Tetrahydro-17a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium"	"C9H15NO3"	"185.1052"	"M+K+CF3COOH"	152.95602
"812491"	439.2206	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M"	0
"976185"	420.20221	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-H2O-H"	-19.01839
"63334"	291.806457333333	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M-3H"	-3.021828
"503614"	438.213324	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M-3H"	-3.021828
"880697"	145.399590666667	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-3H"	-3.021828
"2551"	438.213324	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M-2H"	-2.014552
"442113"	657.823624	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M-2H"	-2.014552
"821009"	218.603024	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-2H"	-2.014552
"79907"	877.433924	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M-H"	-1.007276
"522748"	1316.654524	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M-H"	-1.007276
"903830"	438.213324	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-H"	-1.007276
"54929"	894.460471	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M-2H+NH4"	16.019271
"491208"	1333.681071	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M-2H+NH4"	16.019271
"873391"	455.239871	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-2H+NH4"	16.019271
"44212"	899.415866	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M-2H+Na"	20.974666
"482677"	1338.636466	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M-2H+Na"	20.974666
"860843"	460.195266	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-2H+Na"	20.974666
"1624908"	460.195266	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Na-2H"	20.974666
"104717"	456.201663	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M-H+Cl"	33.962126
"546105"	675.811963	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M-H+Cl"	33.962126
"937431"	236.591363	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-H+Cl"	33.962126
"274165"	913.410602	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+Cl"	34.969402
"667679"	1352.631202	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+Cl"	34.969402
"1276073"	474.190002	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Cl"	34.969402
"17655"	915.389806	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M-2H+K"	36.948606
"457339"	1354.610406	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M-2H+K"	36.948606
"840732"	476.169206	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-2H+K"	36.948606
"1556563"	476.169206	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+K-2H"	36.948606
"943144"	484.218794	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-H+HCOOH"	44.998194
"367406"	923.439401	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+HCOOH-H"	44.998201
"350191"	937.455051	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+Hac-H"	59.013851
"1496837"	498.234451	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Hac-H"	59.013851
"961096"	506.200751	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-H+NaCOOH"	66.980151
"111584"	474.190002	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+2Cl"	69.938804
"552483"	693.800302	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+2Cl"	69.938804
"1026752"	254.579702	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2Cl"	69.938804
"1249976"	518.139485	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Br"	78.918885
"1314612"	520.195472	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Cl+HCOOH"	80.974872
"1327735"	542.177429	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Cl+NaCOOH"	102.956829
"919886"	552.206186	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M-H+CF3COOH"	112.985586
"1294409"	588.182864	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Cl+CF3COOH"	148.962264
"1378771"	404.207924	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H-2H2O"	-35.012676
"1390070"	422.2179	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H-H2O"	-17.0027
"290848"	879.448476	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+H"	1.007276
"686915"	1318.669076	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+H"	1.007276
"1357433"	440.227876	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H"	1.007276
"132145"	440.227876	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+2H"	2.014552
"576444"	659.838176	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+2H"	2.014552
"1044150"	220.617576	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2H"	2.014552
"207312"	293.821009333333	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+3H"	3.021828
"647599"	440.227876	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+3H"	3.021828
"1164267"	147.414142666667	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+3H"	3.021828
"425109"	896.475023	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+NH4"	18.033823
"791811"	1335.695623	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+NH4"	18.033823
"1684861"	457.254423	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+NH4"	18.033823
"332414"	448.7411495	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+H+NH4"	19.041099
"727019"	668.3514495	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+H+NH4"	19.041099
"1482664"	229.1308495	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H+NH4"	19.041099
"394787"	901.430418	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+Na"	22.989218
"757968"	1340.651018	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+Na"	22.989218
"1615565"	462.209818	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Na"	22.989218
"329009"	451.218847	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+H+Na"	23.996494
"721548"	670.829147	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+H+Na"	23.996494
"1476584"	231.608547	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H+Na"	23.996494
"1067885"	154.741456666667	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2H+Na"	25.00377
"1269683"	472.254086	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+CH3OH+H"	33.033486
"385703"	917.404358	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+K"	38.963158
"744510"	1356.624958	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+K"	38.963158
"1550940"	478.183758	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+K"	38.963158
"312133"	459.205817	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+H+K"	39.970434
"704918"	678.816117	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+H+K"	39.970434
"1459472"	239.595517	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H+K"	39.970434
"248072"	920.475026	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+ACN+H"	42.033826
"1222234"	481.254426	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+ACN+H"	42.033826
"1206853"	241.130851	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+ACN+2H"	43.041102
"200813"	923.41236	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+2Na-H"	44.97116
"642200"	1362.63296	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+2Na-H"	44.97116
"1144614"	484.19176	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2Na-H"	44.97116
"186442"	462.209818	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+2Na"	45.978436
"626731"	681.820118	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+2Na"	45.978436
"1129143"	242.599518	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2Na"	45.978436
"1412302"	162.068770666667	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H+2Na"	46.985712
"1442229"	486.233346	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H+HCOOH"	47.012746
"231922"	467.24284	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+3H2O+2H"	56.04448
"1519986"	500.28539	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+IsoProp+H"	61.06479
"418578"	470.196788	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+Na+K"	61.952376
"779934"	689.807088	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+Na+K"	61.952376
"1670436"	250.586488	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Na+K"	61.952376
"259877"	942.456968	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+ACN+Na"	64.015768
"1228211"	503.236368	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+ACN+Na"	64.015768
"1719285"	503.259893	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+NH4+HCOOH"	64.039293
"1187920"	169.396084666667	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+3Na"	68.967654
"1653439"	508.215288	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Na+HCOOH"	68.994688
"162487"	955.36024	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+2K-H"	76.91904
"602047"	1394.58084	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+2K-H"	76.91904
"1097495"	516.13964	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2K-H"	76.91904
"152124"	478.183758	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"2M+2K"	77.926316
"594725"	697.794058	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"3M+2K"	77.926316
"1080573"	258.573458	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2K"	77.926316
"1112570"	518.154192	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2K+H"	78.933592
"1347980"	518.241807	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+DMSO+H"	79.021207
"1017604"	522.280976	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2ACN+H"	83.060376
"1536822"	523.274608	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+IsoProp+Na+H"	84.054008
"1004849"	261.644126	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+2ACN+2H"	84.067652
"1596679"	524.189228	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+K+HCOOH"	84.968628
"1425619"	554.220738	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+H+CF3COOH"	115.000138
"1159187"	282.157401	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+3ACN+2H"	125.094202
"1703273"	571.247285	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+NH4+CF3COOH"	132.026685
"1649498"	576.20268	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+Na+CF3COOH"	136.98208
"1575673"	592.17662	"C10357"	"Parsonsine"	"C22H33NO8"	"439.2206"	"M+K+CF3COOH"	152.95602
"811508"	374.079	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M"	0
"981762"	355.06061	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-H2O-H"	-19.01839
"66724"	248.378724	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M-3H"	-3.021828
"504088"	373.071724	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M-3H"	-3.021828
"881656"	123.685724	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-3H"	-3.021828
"1932"	373.071724	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M-2H"	-2.014552
"443317"	560.111224	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M-2H"	-2.014552
"821119"	186.032224	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-2H"	-2.014552
"80380"	747.150724	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M-H"	-1.007276
"523951"	1121.229724	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M-H"	-1.007276
"900660"	373.071724	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-H"	-1.007276
"55039"	764.177271	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M-2H+NH4"	16.019271
"492411"	1138.256271	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M-2H+NH4"	16.019271
"877024"	390.098271	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-2H+NH4"	16.019271
"43592"	769.132666	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M-2H+Na"	20.974666
"482786"	1143.211666	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M-2H+Na"	20.974666
"862046"	395.053666	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-2H+Na"	20.974666
"1625018"	395.053666	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Na-2H"	20.974666
"104827"	391.060063	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M-H+Cl"	33.962126
"546215"	578.099563	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M-H+Cl"	33.962126
"934625"	204.020563	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-H+Cl"	33.962126
"274275"	783.127402	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+Cl"	34.969402
"667789"	1157.206402	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+Cl"	34.969402
"1273996"	409.048402	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Cl"	34.969402
"17402"	785.106606	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M-2H+K"	36.948606
"458300"	1159.185606	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M-2H+K"	36.948606
"840112"	411.027606	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-2H+K"	36.948606
"1556673"	411.027606	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+K-2H"	36.948606
"944553"	419.077194	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-H+HCOOH"	44.998194
"368609"	793.156201	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+HCOOH-H"	44.998201
"351030"	807.171851	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+Hac-H"	59.013851
"1497676"	433.092851	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Hac-H"	59.013851
"962664"	441.059151	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-H+NaCOOH"	66.980151
"111209"	409.048402	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+2Cl"	69.938804
"550083"	596.087902	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+2Cl"	69.938804
"1024674"	222.008902	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2Cl"	69.938804
"1244981"	452.997885	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Br"	78.918885
"1307795"	455.053872	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Cl+HCOOH"	80.974872
"1326750"	477.035829	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Cl+NaCOOH"	102.956829
"918173"	487.064586	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M-H+CF3COOH"	112.985586
"1294882"	523.041264	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Cl+CF3COOH"	148.962264
"1379245"	339.066324	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H-2H2O"	-35.012676
"1390180"	357.0763	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H-H2O"	-17.0027
"288042"	749.165276	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+H"	1.007276
"679006"	1123.244276	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+H"	1.007276
"1355720"	375.086276	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H"	1.007276
"129703"	375.086276	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+2H"	2.014552
"576190"	562.125776	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+2H"	2.014552
"1043167"	188.046776	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2H"	2.014552
"209244"	250.393276	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+3H"	3.021828
"644793"	375.086276	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+3H"	3.021828
"1162835"	125.700276	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+3H"	3.021828
"426557"	766.191823	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+NH4"	18.033823
"788642"	1140.270823	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+NH4"	18.033823
"1685699"	392.112823	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+NH4"	18.033823
"331187"	383.5995495	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+H+NH4"	19.041099
"726765"	570.6390495	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+H+NH4"	19.041099
"1479494"	196.5600495	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H+NH4"	19.041099
"393559"	771.147218	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+Na"	22.989218
"756251"	1145.226218	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+Na"	22.989218
"1617251"	397.068218	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Na"	22.989218
"328998"	386.077247	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+H+Na"	23.996494
"719591"	573.116747	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+H+Na"	23.996494
"1474505"	199.037747	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H+Na"	23.996494
"1067022"	133.02759	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2H+Na"	25.00377
"1270520"	407.112486	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+CH3OH+H"	33.033486
"385813"	787.121158	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+K"	38.963158
"743527"	1161.200158	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+K"	38.963158
"1549957"	413.042158	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+K"	38.963158
"311148"	394.064217	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+H+K"	39.970434
"705757"	581.103717	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+H+K"	39.970434
"1458852"	207.024717	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H+K"	39.970434
"248910"	790.191826	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+ACN+H"	42.033826
"1223439"	416.112826	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+ACN+H"	42.033826
"1208055"	208.560051	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+ACN+2H"	43.041102
"201653"	793.12916	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+2Na-H"	44.97116
"642796"	1167.20816	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+2Na-H"	44.97116
"1145211"	419.05016	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2Na-H"	44.97116
"186796"	397.068218	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+2Na"	45.978436
"627573"	584.107718	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+2Na"	45.978436
"1130348"	210.028718	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2Na"	45.978436
"1414037"	140.354904	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H+2Na"	46.985712
"1441246"	421.091746	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H+HCOOH"	47.012746
"230940"	402.10124	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+3H2O+2H"	56.04448
"1522283"	435.14379	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+IsoProp+H"	61.06479
"420875"	405.055188	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+Na+K"	61.952376
"780045"	592.094688	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+Na+K"	61.952376
"1674192"	218.015688	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Na+K"	61.952376
"259987"	812.173768	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+ACN+Na"	64.015768
"1227955"	438.094768	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+ACN+Na"	64.015768
"1717207"	438.118293	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+NH4+HCOOH"	64.039293
"1185843"	147.682218	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+3Na"	68.967654
"1653549"	443.073688	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Na+HCOOH"	68.994688
"161504"	825.07704	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+2K-H"	76.91904
"602157"	1199.15604	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+2K-H"	76.91904
"1097605"	450.99804	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2K-H"	76.91904
"148954"	413.042158	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"2M+2K"	77.926316
"592889"	600.081658	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"3M+2K"	77.926316
"1080682"	226.002658	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2K"	77.926316
"1114746"	453.012592	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2K+H"	78.933592
"1346997"	453.100207	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+DMSO+H"	79.021207
"1018808"	457.139376	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2ACN+H"	83.060376
"1537662"	458.133008	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+IsoProp+Na+H"	84.054008
"1000099"	229.073326	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+2ACN+2H"	84.067652
"1594603"	459.047628	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+K+HCOOH"	84.968628
"1425729"	489.079138	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+H+CF3COOH"	115.000138
"1158204"	249.586601	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+3ACN+2H"	125.094202
"1703383"	506.105685	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+NH4+CF3COOH"	132.026685
"1647419"	511.06108	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+Na+CF3COOH"	136.98208
"1575783"	527.03502	"C10358"	"Isodiospyrin"	"C22H14O6"	"374.079"	"M+K+CF3COOH"	152.95602
"812714"	381.1788	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M"	0
"982966"	362.16041	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-H2O-H"	-19.01839
"65741"	253.111924	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M-3H"	-3.021828
"502896"	380.171524	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M-3H"	-3.021828
"884198"	126.052324	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-3H"	-3.021828
"4959"	380.171524	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M-2H"	-2.014552
"445614"	570.760924	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M-2H"	-2.014552
"821229"	189.582124	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-2H"	-2.014552
"79762"	761.350324	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M-H"	-1.007276
"520781"	1142.529124	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M-H"	-1.007276
"899677"	380.171524	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-H"	-1.007276
"50773"	778.376871	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M-2H+NH4"	16.019271
"488510"	1159.555671	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M-2H+NH4"	16.019271
"877983"	397.198071	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-2H+NH4"	16.019271
"45158"	783.332266	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M-2H+Na"	20.974666
"483260"	1164.511066	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M-2H+Na"	20.974666
"857779"	402.153466	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-2H+Na"	20.974666
"1625128"	402.153466	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Na-2H"	20.974666
"102751"	398.159863	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M-H+Cl"	33.962126
"537936"	588.749263	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M-H+Cl"	33.962126
"934731"	207.570463	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-H+Cl"	33.962126
"272195"	797.327002	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+Cl"	34.969402
"663524"	1178.505802	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+Cl"	34.969402
"1279574"	416.148202	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Cl"	34.969402
"19942"	799.306206	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M-2H+K"	36.948606
"458774"	1180.485006	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M-2H+K"	36.948606
"840222"	418.127406	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-2H+K"	36.948606
"1563345"	418.127406	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+K-2H"	36.948606
"943570"	426.176994	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-H+HCOOH"	44.998194
"370905"	807.355801	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+HCOOH-H"	44.998201
"352598"	821.371451	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+Hac-H"	59.013851
"1499245"	440.192651	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Hac-H"	59.013851
"960222"	448.158951	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-H+NaCOOH"	66.980151
"111319"	416.148202	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+2Cl"	69.938804
"549992"	606.737602	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+2Cl"	69.938804
"1025513"	225.558802	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2Cl"	69.938804
"1248009"	460.097685	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Br"	78.918885
"1307905"	462.153672	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Cl+HCOOH"	80.974872
"1326860"	484.135629	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Cl+NaCOOH"	102.956829
"915002"	494.164386	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M-H+CF3COOH"	112.985586
"1294627"	530.141064	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Cl+CF3COOH"	148.962264
"1379354"	346.166124	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H-2H2O"	-35.012676
"1392477"	364.1761	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H-H2O"	-17.0027
"286694"	763.364876	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+H"	1.007276
"680209"	1144.543676	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+H"	1.007276
"1354007"	382.186076	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H"	1.007276
"129448"	382.186076	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+2H"	2.014552
"573384"	572.775476	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+2H"	2.014552
"1041090"	191.596676	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2H"	2.014552
"207897"	255.126476	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+3H"	3.021828
"644903"	382.186076	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+3H"	3.021828
"1162946"	128.066876	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+3H"	3.021828
"429947"	780.391423	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+NH4"	18.033823
"786567"	1161.570223	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+NH4"	18.033823
"1687267"	399.212623	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+NH4"	18.033823
"334453"	390.6993495	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+H+NH4"	19.041099
"726146"	581.2887495	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+H+NH4"	19.041099
"1478511"	200.1099495	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H+NH4"	19.041099
"393914"	785.346818	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+Na"	22.989218
"754907"	1166.525618	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+Na"	22.989218
"1616144"	404.168018	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Na"	22.989218
"328372"	393.177047	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+H+Na"	23.996494
"722013"	583.766447	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+H+Na"	23.996494
"1475342"	202.587647	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H+Na"	23.996494
"1067494"	135.39419	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2H+Na"	25.00377
"1271360"	414.212286	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+CH3OH+H"	33.033486
"389203"	801.320758	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+K"	38.963158
"745824"	1182.499558	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+K"	38.963158
"1548973"	420.141958	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+K"	38.963158
"313448"	401.164017	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+H+K"	39.970434
"706233"	591.753417	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+H+K"	39.970434
"1460057"	210.574617	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H+K"	39.970434
"250358"	804.391426	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+ACN+H"	42.033826
"1224285"	423.212626	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+ACN+H"	42.033826
"1209465"	212.109951	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+ACN+2H"	43.041102
"203956"	807.32876	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+2Na-H"	44.97116
"643389"	1188.50756	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+2Na-H"	44.97116
"1146945"	426.14996	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2Na-H"	44.97116
"188359"	404.168018	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+2Na"	45.978436
"627683"	594.757418	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+2Na"	45.978436
"1131190"	213.578618	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2Na"	45.978436
"1412158"	142.721504	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H+2Na"	46.985712
"1443180"	428.191546	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H+HCOOH"	47.012746
"233237"	409.20104	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+3H2O+2H"	56.04448
"1518747"	442.24359	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+IsoProp+H"	61.06479
"422080"	412.154988	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+Na+K"	61.952376
"783072"	602.744388	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+Na+K"	61.952376
"1673572"	221.565588	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Na+K"	61.952376
"261189"	826.373368	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+ACN+Na"	64.015768
"1229523"	445.194568	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+ACN+Na"	64.015768
"1718776"	445.218093	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+NH4+HCOOH"	64.039293
"1185953"	150.048818	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+3Na"	68.967654
"1653659"	450.173488	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Na+HCOOH"	68.994688
"161613"	839.27664	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+2K-H"	76.91904
"602267"	1220.45544	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+2K-H"	76.91904
"1091154"	458.09784	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2K-H"	76.91904
"147971"	420.141958	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"2M+2K"	77.926316
"593000"	610.731358	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"3M+2K"	77.926316
"1078606"	229.552558	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2K"	77.926316
"1106350"	460.112392	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2K+H"	78.933592
"1346014"	460.200007	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+DMSO+H"	79.021207
"1017825"	464.239176	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2ACN+H"	83.060376
"1534856"	465.232808	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+IsoProp+Na+H"	84.054008
"1003489"	232.623226	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+2ACN+2H"	84.067652
"1591433"	466.147428	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+K+HCOOH"	84.968628
"1419278"	496.178938	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+H+CF3COOH"	115.000138
"1152846"	253.136501	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+3ACN+2H"	125.094202
"1703493"	513.205485	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+NH4+CF3COOH"	132.026685
"1647893"	518.16088	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+Na+CF3COOH"	136.98208
"1575893"	534.13482	"C10359"	"Petasitenine"	"C19H27NO7"	"381.1788"	"M+K+CF3COOH"	152.95602
"811731"	338.1154	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M"	0
"983076"	319.09701	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"66944"	224.402990666667	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"506505"	337.108124	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"880025"	111.697857333333	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"5069"	337.108124	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"440621"	506.165824	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"822431"	168.050424	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"81330"	675.223524	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"523075"	1013.338924	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"898691"	337.108124	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"47964"	692.250071	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"488256"	1030.365471	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"867155"	354.134671	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"46725"	697.205466	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"485192"	1035.320866	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"857889"	359.090066	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1625238"	359.090066	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"102860"	355.096463	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"538046"	524.154163	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"934841"	186.038763	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"272305"	711.200202	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"662541"	1049.315602	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1280413"	373.084802	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"20052"	713.179406	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"458884"	1051.294806	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"839240"	375.064006	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1562727"	375.064006	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"944408"	383.113594	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"371015"	721.229001	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"351616"	735.244651	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1499355"	397.129251	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"959967"	405.095551	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"111065"	373.084802	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"550172"	542.142502	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1022706"	204.027102	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1243742"	417.034285	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1307651"	419.090272	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1320203"	441.072229	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"919122"	451.100986	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1290726"	487.077664	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1376184"	303.102724	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1385659"	321.1127	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"284249"	677.238076	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"679226"	1015.353476	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1354483"	339.122676	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"127371"	339.122676	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"568026"	508.180376	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1042293"	170.064976	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"211288"	226.417542666667	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"647567"	339.122676	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1164599"	113.712409333333	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"428964"	694.264623	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"788864"	1032.380023	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1687378"	356.149223	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"331284"	347.6359495	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"726984"	516.6936495	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1481900"	178.5782495	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"397306"	699.220018	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"755018"	1037.335418	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1616253"	361.104618	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"324100"	350.113647	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"716520"	519.171347	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1475815"	181.055947	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1066872"	121.039723333333	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1271468"	371.148886	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"387124"	715.193958	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"747028"	1053.309358	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1549083"	377.078558	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"314002"	358.100617	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"706867"	527.158317	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1460533"	189.042917	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"251037"	718.264626	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1225517"	380.149226	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1209249"	190.578251	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"203820"	721.20196	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"643744"	1059.31736	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1146948"	383.08656	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"188543"	361.104618	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"628395"	530.162318	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1131098"	192.046918	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1412997"	128.367037333333	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1444262"	385.128146	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"233954"	366.13764	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1519950"	399.18019	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"422798"	369.091588	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"779537"	538.149288	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1670402"	200.033888	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"258019"	740.246568	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1229633"	402.131168	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1719615"	402.154693	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1186063"	135.694351333333	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1653766"	407.110088	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"162817"	753.14984	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"605658"	1091.26524	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1094544"	415.03444	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"148081"	377.078558	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"588735"	546.136258	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1078717"	208.020858	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1106460"	417.048992	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1341750"	417.136607	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1016840"	421.175776	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1536060"	422.169408	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"1003599"	211.091526	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1591543"	423.084028	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1425948"	453.115538	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1154049"	231.604801	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1703603"	470.142085	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1644723"	475.09748	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1576003"	491.07142	"C10360"	"2-Isoprenylemodin"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"811841"	361.1889	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M"	0
"983186"	342.17051	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-H2O-H"	-19.01839
"65961"	239.785324	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M-3H"	-3.021828
"505522"	360.181624	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M-3H"	-3.021828
"880117"	119.389024	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-3H"	-3.021828
"2993"	360.181624	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M-2H"	-2.014552
"440195"	540.776074	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M-2H"	-2.014552
"820355"	179.587174	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-2H"	-2.014552
"81440"	721.370524	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M-H"	-1.007276
"519297"	1082.559424	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M-H"	-1.007276
"896369"	360.181624	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-H"	-1.007276
"47341"	738.397071	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M-2H+NH4"	16.019271
"487635"	1099.585971	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M-2H+NH4"	16.019271
"864364"	377.208171	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-2H+NH4"	16.019271
"32976"	743.352466	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M-2H+Na"	20.974666
"471406"	1104.541366	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M-2H+Na"	20.974666
"854719"	382.163566	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-2H+Na"	20.974666
"1625348"	382.163566	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Na-2H"	20.974666
"98597"	378.169963	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M-H+Cl"	33.962126
"534252"	558.764413	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M-H+Cl"	33.962126
"927412"	197.575513	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-H+Cl"	33.962126
"267429"	757.347202	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+Cl"	34.969402
"660583"	1118.536102	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+Cl"	34.969402
"1272886"	396.158302	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Cl"	34.969402
"15728"	759.326406	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M-2H+K"	36.948606
"455700"	1120.515306	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M-2H+K"	36.948606
"833635"	398.137506	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-2H+K"	36.948606
"1557002"	398.137506	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+K-2H"	36.948606
"944522"	406.187094	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-H+HCOOH"	44.998194
"367843"	767.376001	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+HCOOH-H"	44.998201
"348809"	781.391651	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+Hac-H"	59.013851
"1499465"	420.202751	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Hac-H"	59.013851
"959106"	428.169051	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-H+NaCOOH"	66.980151
"111296"	396.158302	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+2Cl"	69.938804
"550160"	576.752752	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+2Cl"	69.938804
"1022816"	215.563852	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2Cl"	69.938804
"1242516"	440.107785	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Br"	78.918885
"1307397"	442.163772	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Cl+HCOOH"	80.974872
"1319928"	464.145729	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Cl+NaCOOH"	102.956829
"919232"	474.174486	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M-H+CF3COOH"	112.985586
"1290836"	510.151164	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Cl+CF3COOH"	148.962264
"1380303"	326.176224	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H-2H2O"	-35.012676
"1386134"	344.1862	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H-H2O"	-17.0027
"284359"	723.385076	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+H"	1.007276
"681523"	1084.573976	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+H"	1.007276
"1354593"	362.196176	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H"	1.007276
"126752"	362.196176	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+2H"	2.014552
"567164"	542.790626	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+2H"	2.014552
"1040216"	181.601726	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2H"	2.014552
"209211"	241.799876	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+3H"	3.021828
"645491"	362.196176	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+3H"	3.021828
"1163124"	121.403576	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+3H"	3.021828
"427980"	740.411623	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+NH4"	18.033823
"787882"	1101.600523	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+NH4"	18.033823
"1687488"	379.222723	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+NH4"	18.033823
"334674"	370.7094495	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+H+NH4"	19.041099
"728187"	551.3038995	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+H+NH4"	19.041099
"1482373"	190.1149995	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H+NH4"	19.041099
"395230"	745.367018	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+Na"	22.989218
"755492"	1106.555918	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+Na"	22.989218
"1615269"	384.178118	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Na"	22.989218
"323116"	373.187147	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+H+Na"	23.996494
"713350"	553.781597	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+H+Na"	23.996494
"1472641"	192.592697	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H+Na"	23.996494
"1061512"	128.73089	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2H+Na"	25.00377
"1263187"	394.222386	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+CH3OH+H"	33.033486
"382855"	761.340958	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+K"	38.963158
"741301"	1122.529858	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+K"	38.963158
"1549193"	400.152058	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+K"	38.963158
"314253"	381.174117	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+H+K"	39.970434
"706923"	561.768567	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+H+K"	39.970434
"1461162"	200.579667	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H+K"	39.970434
"251267"	764.411626	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+ACN+H"	42.033826
"1225482"	403.222726	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+ACN+H"	42.033826
"1209689"	202.115001	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+ACN+2H"	43.041102
"203939"	767.34896	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+2Na-H"	44.97116
"643365"	1128.53786	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+2Na-H"	44.97116
"1146980"	406.16006	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2Na-H"	44.97116
"188186"	384.178118	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+2Na"	45.978436
"627785"	564.772568	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+2Na"	45.978436
"1129462"	203.583668	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2Na"	45.978436
"1411281"	136.058204	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H+2Na"	46.985712
"1443032"	408.201646	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H+HCOOH"	47.012746
"234064"	389.21114	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+3H2O+2H"	56.04448
"1518967"	422.25369	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+IsoProp+H"	61.06479
"423516"	392.165088	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+Na+K"	61.952376
"779647"	572.759538	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+Na+K"	61.952376
"1670512"	211.570638	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Na+K"	61.952376
"255209"	786.393568	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+ACN+Na"	64.015768
"1229374"	425.204668	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+ACN+Na"	64.015768
"1715348"	425.228193	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+NH4+HCOOH"	64.039293
"1181795"	143.385518	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+3Na"	68.967654
"1652783"	430.183588	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Na+HCOOH"	68.994688
"159646"	799.29684	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+2K-H"	76.91904
"600299"	1160.48574	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+2K-H"	76.91904
"1089186"	438.10794	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2K-H"	76.91904
"146003"	400.152058	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"2M+2K"	77.926316
"585564"	580.746508	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"3M+2K"	77.926316
"1078827"	219.557608	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2K"	77.926316
"1105477"	440.122492	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2K+H"	78.933592
"1339673"	440.210107	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+DMSO+H"	79.021207
"1016950"	444.249276	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2ACN+H"	83.060376
"1531796"	445.242908	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+IsoProp+Na+H"	84.054008
"1000429"	222.628276	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+2ACN+2H"	84.067652
"1594933"	446.157528	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+K+HCOOH"	84.968628
"1426058"	476.189038	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+H+CF3COOH"	115.000138
"1153066"	243.141551	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+3ACN+2H"	125.094202
"1703713"	493.215585	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+NH4+CF3COOH"	132.026685
"1647020"	498.17098	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+Na+CF3COOH"	136.98208
"1576113"	514.14492	"C10361"	"Phalaenopsine T"	"C20H27NO5"	"361.1889"	"M+K+CF3COOH"	152.95602
"815961"	258.0528	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M"	0
"986577"	239.03441	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"73726"	171.027924	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"507819"	257.045524	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"887809"	85.010324	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"6385"	257.045524	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"447040"	386.071924	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"824842"	128.019124	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"87022"	515.098324	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"523299"	773.151124	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"901102"	257.045524	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"52198"	532.124871	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"492852"	790.177671	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"864572"	274.072071	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"31988"	537.080266	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"474837"	795.133066	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"854829"	279.027466	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1621084"	279.027466	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"94771"	275.033863	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"534729"	404.060263	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"927097"	146.007463	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"268879"	551.075002	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"660317"	809.127802	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1273205"	293.022202	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"15815"	553.054206	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"456181"	811.107006	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"832900"	295.001406	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1555608"	295.001406	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"944627"	303.050994	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"363943"	561.103801	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"348920"	575.119451	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1494099"	317.066651	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"961647"	325.032951	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"110554"	293.022202	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"550085"	422.048602	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1023654"	163.995802	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1243598"	336.971685	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1307506"	339.027672	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1320990"	361.009629	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"917156"	371.038386	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1289241"	407.015064	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1380777"	223.040124	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1386244"	241.0501	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"283493"	517.112876	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"681633"	775.165676	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1354703"	259.060076	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"126983"	259.060076	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"573714"	388.086476	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1045794"	130.033676	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"212601"	173.042476	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"645964"	259.060076	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1165062"	87.024876	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"426146"	534.139423	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"794552"	792.192223	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1687599"	276.086623	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"334786"	267.5733495	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"729391"	396.5997495	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1483212"	138.5469495	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"395341"	539.094818	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"756334"	797.147618	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1614286"	281.042018	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"323226"	270.051047	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"713460"	399.077447	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1473844"	141.024647	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1060528"	94.35219	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1262204"	291.086286	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"385153"	555.068758	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"746148"	813.121558	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1549303"	297.015958	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"313778"	278.038017	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"706074"	407.064417	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1460510"	149.011617	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"251218"	558.139426	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1225098"	300.086626	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1209674"	150.546951	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"204128"	561.07676	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"643113"	819.12956	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1146383"	303.02396	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"187601"	281.042018	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"625094"	410.068418	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1130667"	152.015618	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1411760"	101.679504	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1445306"	305.065546	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"233203"	286.07504	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1523974"	319.11759	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"423755"	289.028988	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"784012"	418.055388	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1676090"	160.002588	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"256051"	580.121368	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1233133"	322.068568	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1717645"	322.092093	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1183000"	109.006818	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1652895"	327.047488	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"163037"	593.02464	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"609158"	851.07744	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1095858"	334.97184	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"148301"	297.015958	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"585675"	426.042358	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1080032"	167.989558	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1112148"	336.986392	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1346344"	337.074007	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1015966"	341.113176	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1536279"	342.106808	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"1000539"	171.060226	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1591763"	343.021428	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1426168"	373.052938	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1156456"	191.573501	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1700542"	390.079485	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1647130"	395.03488	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1577316"	411.00882	"C10362"	"Kigelinone"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"815340"	337.1889	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M"	0
"982313"	318.17051	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-H2O-H"	-19.01839
"66181"	223.785324	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M-3H"	-3.021828
"506836"	336.181624	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M-3H"	-3.021828
"891200"	111.389024	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-3H"	-3.021828
"8682"	336.181624	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M-2H"	-2.014552
"450431"	504.776074	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M-2H"	-2.014552
"827140"	167.587174	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-2H"	-2.014552
"88225"	673.370524	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M-H"	-1.007276
"522316"	1010.559424	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M-H"	-1.007276
"902306"	336.181624	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-H"	-1.007276
"53402"	690.397071	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M-2H+NH4"	16.019271
"492963"	1027.585971	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M-2H+NH4"	16.019271
"874045"	353.208171	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-2H+NH4"	16.019271
"37571"	695.352466	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M-2H+Na"	20.974666
"474947"	1032.541366	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M-2H+Na"	20.974666
"854939"	358.163566	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-2H+Na"	20.974666
"1624475"	358.163566	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Na-2H"	20.974666
"97723"	354.169963	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M-H+Cl"	33.962126
"534881"	522.764413	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M-H+Cl"	33.962126
"928245"	185.575513	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-H+Cl"	33.962126
"272635"	709.347202	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+Cl"	34.969402
"660910"	1046.536102	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+Cl"	34.969402
"1273479"	372.158302	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Cl"	34.969402
"16842"	711.326406	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M-2H+K"	36.948606
"455927"	1048.515306	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M-2H+K"	36.948606
"833242"	374.137506	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-2H+K"	36.948606
"1556727"	374.137506	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+K-2H"	36.948606
"945470"	382.187094	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-H+HCOOH"	44.998194
"364417"	719.376001	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+HCOOH-H"	44.998201
"349030"	733.391651	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+Hac-H"	59.013851
"1493242"	396.202751	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Hac-H"	59.013851
"962853"	404.169051	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-H+NaCOOH"	66.980151
"110415"	372.158302	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+2Cl"	69.938804
"550466"	540.752752	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+2Cl"	69.938804
"1022181"	203.563852	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2Cl"	69.938804
"1242247"	416.107785	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Br"	78.918885
"1304818"	418.163772	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Cl+HCOOH"	80.974872
"1320736"	440.145729	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Cl+NaCOOH"	102.956829
"917266"	450.174486	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M-H+CF3COOH"	112.985586
"1291786"	486.151164	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Cl+CF3COOH"	148.962264
"1367123"	302.176224	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H-2H2O"	-35.012676
"1387447"	320.1862	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H-H2O"	-17.0027
"283032"	675.385076	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+H"	1.007276
"678827"	1012.573976	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+H"	1.007276
"1354082"	338.196176	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H"	1.007276
"127702"	338.196176	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+2H"	2.014552
"572731"	506.790626	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+2H"	2.014552
"1043718"	169.601726	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2H"	2.014552
"211618"	225.799876	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+3H"	3.021828
"648991"	338.196176	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+3H"	3.021828
"1164930"	113.403576	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+3H"	3.021828
"429296"	692.411623	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+NH4"	18.033823
"794662"	1029.600523	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+NH4"	18.033823
"1688803"	355.222723	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+NH4"	18.033823
"337084"	346.7094495	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+H+NH4"	19.041099
"728407"	515.3038995	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+H+NH4"	19.041099
"1481138"	178.1149995	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H+NH4"	19.041099
"396910"	697.367018	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+Na"	22.989218
"758631"	1034.555918	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+Na"	22.989218
"1613300"	360.178118	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Na"	22.989218
"323336"	349.187147	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+H+Na"	23.996494
"714663"	517.781597	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+H+Na"	23.996494
"1470674"	180.592697	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H+Na"	23.996494
"1062826"	120.73089	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2H+Na"	25.00377
"1267783"	370.222386	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+CH3OH+H"	33.033486
"385264"	713.340958	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+K"	38.963158
"750633"	1050.529858	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+K"	38.963158
"1549413"	376.152058	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+K"	38.963158
"313400"	357.174117	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+H+K"	39.970434
"705942"	525.768567	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+H+K"	39.970434
"1460500"	188.579667	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H+K"	39.970434
"250436"	716.411626	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+ACN+H"	42.033826
"1224478"	379.222726	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+ACN+H"	42.033826
"1208734"	190.115001	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+ACN+2H"	43.041102
"203185"	719.34896	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+2Na-H"	44.97116
"642615"	1056.53786	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+2Na-H"	44.97116
"1146373"	382.16006	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2Na-H"	44.97116
"187719"	360.178118	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+2Na"	45.978436
"625568"	528.772568	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+2Na"	45.978436
"1130414"	191.583668	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2Na"	45.978436
"1413330"	128.058204	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H+2Na"	46.985712
"1444845"	384.201646	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H+HCOOH"	47.012746
"232220"	365.21114	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+3H2O+2H"	56.04448
"1523567"	398.25369	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+IsoProp+H"	61.06479
"423739"	368.165088	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+Na+K"	61.952376
"783151"	536.759538	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+Na+K"	61.952376
"1676200"	199.570638	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Na+K"	61.952376
"256161"	738.393568	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+ACN+Na"	64.015768
"1229963"	401.204668	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+ACN+Na"	64.015768
"1714475"	401.228193	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+NH4+HCOOH"	64.039293
"1182017"	135.385518	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+3Na"	68.967654
"1654098"	406.183588	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Na+HCOOH"	68.994688
"166427"	751.29684	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+2K-H"	76.91904
"601613"	1088.48574	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+2K-H"	76.91904
"1095968"	414.10794	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2K-H"	76.91904
"148411"	376.152058	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"2M+2K"	77.926316
"585784"	544.746508	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"3M+2K"	77.926316
"1077954"	207.557608	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2K"	77.926316
"1113351"	416.122492	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2K+H"	78.933592
"1346455"	416.210107	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+DMSO+H"	79.021207
"1016076"	420.249276	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2ACN+H"	83.060376
"1537482"	421.242908	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+IsoProp+Na+H"	84.054008
"1000649"	210.628276	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+2ACN+2H"	84.067652
"1591873"	422.157528	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+K+HCOOH"	84.968628
"1425185"	452.189038	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+H+CF3COOH"	115.000138
"1156566"	231.141551	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+3ACN+2H"	125.094202
"1700652"	469.215585	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+NH4+CF3COOH"	132.026685
"1647240"	474.17098	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+Na+CF3COOH"	136.98208
"1577426"	490.14492	"C10363"	"Platyphylline"	"C18H27NO5"	"337.1889"	"M+K+CF3COOH"	152.95602
"816541"	351.1682	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M"	0
"983515"	332.14981	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-H2O-H"	-19.01839
"66291"	233.104857333333	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M-3H"	-3.021828
"509133"	350.160924	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M-3H"	-3.021828
"883655"	116.048790666667	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-3H"	-3.021828
"8791"	350.160924	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M-2H"	-2.014552
"450541"	525.745024	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M-2H"	-2.014552
"825062"	174.576824	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-2H"	-2.014552
"88335"	701.329124	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M-H"	-1.007276
"523519"	1052.497324	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M-H"	-1.007276
"903510"	350.160924	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-H"	-1.007276
"55699"	718.355671	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M-2H+NH4"	16.019271
"493072"	1069.523871	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M-2H+NH4"	16.019271
"869781"	367.187471	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-2H+NH4"	16.019271
"37681"	723.311066	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M-2H+Na"	20.974666
"477244"	1074.479266	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M-2H+Na"	20.974666
"855049"	372.142866	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-2H+Na"	20.974666
"1623493"	372.142866	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Na-2H"	20.974666
"95643"	368.149263	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M-H+Cl"	33.962126
"535078"	543.733363	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M-H+Cl"	33.962126
"928839"	192.565163	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-H+Cl"	33.962126
"272745"	737.305802	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+Cl"	34.969402
"660458"	1088.474002	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+Cl"	34.969402
"1274408"	386.137602	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Cl"	34.969402
"16597"	739.285006	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M-2H+K"	36.948606
"456642"	1090.453206	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M-2H+K"	36.948606
"833472"	388.116806	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-2H+K"	36.948606
"1557689"	388.116806	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+K-2H"	36.948606
"944851"	396.166394	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-H+HCOOH"	44.998194
"363067"	747.334601	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+HCOOH-H"	44.998201
"349504"	761.350251	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+Hac-H"	59.013851
"1495418"	410.182051	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Hac-H"	59.013851
"962963"	418.148351	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-H+NaCOOH"	66.980151
"112962"	386.137602	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+2Cl"	69.938804
"550333"	561.721702	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+2Cl"	69.938804
"1023144"	210.553502	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2Cl"	69.938804
"1243454"	430.087085	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Br"	78.918885
"1305900"	432.143072	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Cl+HCOOH"	80.974872
"1321941"	454.125029	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Cl+NaCOOH"	102.956829
"917376"	464.153786	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M-H+CF3COOH"	112.985586
"1292262"	500.130464	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Cl+CF3COOH"	148.962264
"1368232"	316.155524	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H-2H2O"	-35.012676
"1386099"	334.1655	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H-H2O"	-17.0027
"284078"	703.343676	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+H"	1.007276
"678573"	1054.511876	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+H"	1.007276
"1353827"	352.175476	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H"	1.007276
"129998"	352.175476	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+2H"	2.014552
"568465"	527.759576	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+2H"	2.014552
"1044921"	176.591376	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2H"	2.014552
"211728"	235.119409333333	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+3H"	3.021828
"650195"	352.175476	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+3H"	3.021828
"1168322"	118.063342666667	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+3H"	3.021828
"429406"	720.370223	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+NH4"	18.033823
"793679"	1071.538423	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+NH4"	18.033823
"1688913"	369.202023	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+NH4"	18.033823
"337193"	360.6887495	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+H+NH4"	19.041099
"729611"	536.2728495	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+H+NH4"	19.041099
"1478331"	185.1046495	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H+NH4"	19.041099
"397746"	725.325618	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+Na"	22.989218
"759834"	1076.493818	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+Na"	22.989218
"1616692"	374.157418	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Na"	22.989218
"323446"	363.166447	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+H+Na"	23.996494
"713679"	538.750547	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+H+Na"	23.996494
"1470784"	187.582347	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H+Na"	23.996494
"1065123"	125.390656666667	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2H+Na"	25.00377
"1263520"	384.201686	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+CH3OH+H"	33.033486
"384281"	741.299558	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+K"	38.963158
"747463"	1092.467758	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+K"	38.963158
"1552803"	390.131358	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+K"	38.963158
"313631"	371.153417	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+H+K"	39.970434
"706415"	546.737517	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+H+K"	39.970434
"1460609"	195.569317	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H+K"	39.970434
"251030"	744.370226	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+ACN+H"	42.033826
"1224466"	393.202026	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+ACN+H"	42.033826
"1209449"	197.104651	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+ACN+2H"	43.041102
"204187"	747.30756	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+2Na-H"	44.97116
"642480"	1098.47576	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+2Na-H"	44.97116
"1146360"	396.13936	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2Na-H"	44.97116
"187949"	374.157418	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+2Na"	45.978436
"627625"	549.741518	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+2Na"	45.978436
"1129182"	198.573318	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2Na"	45.978436
"1412586"	132.717970666667	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H+2Na"	46.985712
"1444580"	398.180946	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H+HCOOH"	47.012746
"234519"	379.19044	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+3H2O+2H"	56.04448
"1523308"	412.23299	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+IsoProp+H"	61.06479
"420076"	382.144388	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+Na+K"	61.952376
"781801"	557.728488	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+Na+K"	61.952376
"1673030"	206.560288	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Na+K"	61.952376
"256271"	766.352168	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+ACN+Na"	64.015768
"1232260"	415.183968	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+ACN+Na"	64.015768
"1713016"	415.207493	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+NH4+HCOOH"	64.039293
"1179941"	140.045284666667	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+3Na"	68.967654
"1653113"	420.162888	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Na+HCOOH"	68.994688
"166537"	779.25544	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+2K-H"	76.91904
"600630"	1130.42364	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+2K-H"	76.91904
"1098266"	428.08724	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2K-H"	76.91904
"151801"	390.131358	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"2M+2K"	77.926316
"595735"	565.715458	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"3M+2K"	77.926316
"1081343"	214.547258	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2K"	77.926316
"1107995"	430.101792	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2K+H"	78.933592
"1343284"	430.189407	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+DMSO+H"	79.021207
"1019466"	434.228576	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2ACN+H"	83.060376
"1535404"	435.222208	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+IsoProp+Na+H"	84.054008
"1003675"	217.617926	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+2ACN+2H"	84.067652
"1600730"	436.136828	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+K+HCOOH"	84.968628
"1423108"	466.168338	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+H+CF3COOH"	115.000138
"1156676"	238.131201	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+3ACN+2H"	125.094202
"1701855"	483.194885	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+NH4+CF3COOH"	132.026685
"1645163"	488.15028	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+Na+CF3COOH"	136.98208
"1577536"	504.12422	"C10364"	"Retrorsine"	"C18H25NO6"	"351.1682"	"M+K+CF3COOH"	152.95602
"813371"	434.1002	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M"	0
"987999"	415.08181	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-H2O-H"	-19.01839
"68587"	288.392857333333	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M-3H"	-3.021828
"510336"	433.092924	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M-3H"	-3.021828
"888140"	143.692790666667	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-3H"	-3.021828
"8902"	433.092924	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M-2H"	-2.014552
"448464"	650.143024	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M-2H"	-2.014552
"827359"	216.042824	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-2H"	-2.014552
"86256"	867.193124	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M-H"	-1.007276
"524721"	1301.293324	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M-H"	-1.007276
"905806"	433.092924	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-H"	-1.007276
"55809"	884.219671	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M-2H+NH4"	16.019271
"496462"	1318.319871	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M-2H+NH4"	16.019271
"869891"	450.119471	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-2H+NH4"	16.019271
"37791"	889.175066	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M-2H+Na"	20.974666
"477354"	1323.275266	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M-2H+Na"	20.974666
"852970"	455.074866	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-2H+Na"	20.974666
"1625790"	455.074866	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Na-2H"	20.974666
"96849"	451.081263	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M-H+Cl"	33.962126
"537503"	668.131363	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M-H+Cl"	33.962126
"932110"	234.031163	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-H+Cl"	33.962126
"273948"	903.169802	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+Cl"	34.969402
"660530"	1337.270002	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+Cl"	34.969402
"1274398"	469.069602	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Cl"	34.969402
"16344"	905.149006	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M-2H+K"	36.948606
"457243"	1339.249206	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M-2H+K"	36.948606
"834680"	471.048806	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-2H+K"	36.948606
"1556710"	471.048806	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+K-2H"	36.948606
"944230"	479.098394	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-H+HCOOH"	44.998194
"362804"	913.198601	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+HCOOH-H"	44.998201
"347425"	927.214251	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+Hac-H"	59.013851
"1494557"	493.114051	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Hac-H"	59.013851
"960882"	501.080351	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-H+NaCOOH"	66.980151
"110636"	469.069602	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+2Cl"	69.938804
"552634"	686.119702	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+2Cl"	69.938804
"1025444"	252.019502	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2Cl"	69.938804
"1246480"	513.019085	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Br"	78.918885
"1306740"	515.075072	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Cl+HCOOH"	80.974872
"1322051"	537.057029	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Cl+NaCOOH"	102.956829
"918580"	547.085786	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M-H+CF3COOH"	112.985586
"1292372"	583.062464	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Cl+CF3COOH"	148.962264
"1370528"	399.087524	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H-2H2O"	-35.012676
"1384745"	417.0975	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H-H2O"	-17.0027
"284798"	869.207676	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+H"	1.007276
"679776"	1303.307876	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+H"	1.007276
"1352478"	435.107476	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H"	1.007276
"129013"	435.107476	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+2H"	2.014552
"569669"	652.157576	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+2H"	2.014552
"1045030"	218.057376	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2H"	2.014552
"215120"	290.407409333333	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+3H"	3.021828
"652492"	435.107476	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+3H"	3.021828
"1165152"	145.707342666667	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+3H"	3.021828
"427328"	886.234223	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+NH4"	18.033823
"792696"	1320.334423	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+NH4"	18.033823
"1691210"	452.134023	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+NH4"	18.033823
"339490"	443.6207495	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+H+NH4"	19.041099
"728629"	660.6708495	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+H+NH4"	19.041099
"1478198"	226.5706495	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H+NH4"	19.041099
"401136"	891.189618	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+Na"	22.989218
"757757"	1325.289818	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+Na"	22.989218
"1611336"	457.089418	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Na"	22.989218
"320276"	446.098447	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+H+Na"	23.996494
"713789"	663.148547	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+H+Na"	23.996494
"1469801"	229.048347	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H+Na"	23.996494
"1065233"	153.034656666667	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2H+Na"	25.00377
"1261444"	467.133686	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+CH3OH+H"	33.033486
"382205"	907.163558	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+K"	38.963158
"746480"	1341.263758	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+K"	38.963158
"1554373"	473.063358	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+K"	38.963158
"305715"	454.085417	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+H+K"	39.970434
"703608"	671.135517	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+H+K"	39.970434
"1459985"	237.035317	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H+K"	39.970434
"251181"	910.234226	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+ACN+H"	42.033826
"1224209"	476.134026	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+ACN+H"	42.033826
"1206998"	238.570651	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+ACN+2H"	43.041102
"204050"	913.17156	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+2Na-H"	44.97116
"641618"	1347.27176	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+2Na-H"	44.97116
"1145854"	479.07136	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2Na-H"	44.97116
"188336"	457.089418	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+2Na"	45.978436
"627974"	674.139518	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+2Na"	45.978436
"1129292"	240.039318	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2Na"	45.978436
"1412452"	160.361970666667	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H+2Na"	46.985712
"1444567"	481.112946	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H+HCOOH"	47.012746
"235357"	462.12244	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+3H2O+2H"	56.04448
"1521595"	495.16499	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+IsoProp+H"	61.06479
"420186"	465.076388	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+Na+K"	61.952376
"774620"	682.126488	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+Na+K"	61.952376
"1669860"	248.026288	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Na+K"	61.952376
"257475"	932.216168	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+ACN+Na"	64.015768
"1229090"	498.115968	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+ACN+Na"	64.015768
"1715788"	498.139493	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+NH4+HCOOH"	64.039293
"1182237"	167.689284666667	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+3Na"	68.967654
"1658689"	503.094888	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Na+HCOOH"	68.994688
"164456"	945.11944	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+2K-H"	76.91904
"602925"	1379.21964	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+2K-H"	76.91904
"1091812"	511.01924	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2K-H"	76.91904
"148630"	473.063358	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"2M+2K"	77.926316
"594751"	690.113458	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"3M+2K"	77.926316
"1083521"	256.013258	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2K"	77.926316
"1109199"	513.033792	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2K+H"	78.933592
"1347405"	513.121407	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+DMSO+H"	79.021207
"1018483"	517.160576	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2ACN+H"	83.060376
"1534421"	518.154208	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+IsoProp+Na+H"	84.054008
"1004149"	259.083926	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+2ACN+2H"	84.067652
"1601933"	519.068828	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+K+HCOOH"	84.968628
"1423218"	549.100338	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+H+CF3COOH"	115.000138
"1156786"	279.597201	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+3ACN+2H"	125.094202
"1700872"	566.126885	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+NH4+CF3COOH"	132.026685
"1645273"	571.08228	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+Na+CF3COOH"	136.98208
"1577646"	587.05622	"C10365"	"Knipholone"	"C24H18O8"	"434.1002"	"M+K+CF3COOH"	152.95602
"813481"	242.0943	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M"	0
"987015"	223.07591	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"66511"	160.388924	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"510446"	241.087024	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"888251"	79.690824	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"6826"	241.087024	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"445290"	362.134174	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"824184"	120.039874	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"86362"	483.181324	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"521552"	725.275624	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"904821"	241.087024	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"57012"	500.207871	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"494385"	742.302171	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"867814"	258.113571	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"37901"	505.163266	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"477464"	747.257566	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"853080"	263.068966	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1624806"	263.068966	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"98053"	259.075363	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"535544"	380.122513	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"930033"	138.028213	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"271142"	519.158002	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"660072"	761.252302	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1275236"	277.063702	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"16335"	521.137206	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"458082"	763.231506	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"833207"	279.042906	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1556819"	279.042906	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"945433"	287.092494	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"362188"	529.186801	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"347535"	543.202451	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1495274"	301.108151	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"961721"	309.074451	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"110993"	277.063702	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"553108"	398.110852	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1024826"	156.016552	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1244769"	321.013185	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1306486"	323.069172	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1322525"	345.051129	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"916502"	355.079886	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1290294"	391.056564	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1370273"	207.081624	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1384856"	225.0916	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"284177"	485.195876	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"680979"	727.290176	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1352224"	243.101576	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"126933"	243.101576	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"574151"	364.148726	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1042951"	122.054426	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"214134"	162.403476	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"651509"	243.101576	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1166355"	81.705376	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"432904"	502.222423	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"793897"	744.316723	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1689133"	260.128123	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"338506"	251.6148495	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"726552"	372.6619995	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1479645"	130.5676995	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"396865"	507.177818	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"758960"	749.272118	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1614724"	265.083518	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"323665"	254.092547	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"714992"	375.139697	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1471004"	133.045397	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1064247"	89.03269	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1264829"	275.127786	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"384501"	523.151758	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"743308"	765.246058	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1546460"	281.057458	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"305825"	262.079517	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"706595"	383.126667	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1459974"	141.032367	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"250846"	526.222426	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1224684"	284.128126	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1206380"	142.567701	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"204251"	529.15976	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"641728"	771.25406	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1145599"	287.06546	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"188394"	265.083518	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"627720"	386.130668	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1130133"	144.036368	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1412197"	96.360004	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1444677"	289.107046	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"235538"	270.11654	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1519517"	303.15909	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"417016"	273.070488	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"775823"	394.117638	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1672156"	152.023338	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"256492"	548.204368	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1230293"	306.110068	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1719178"	306.133593	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1186720"	103.687318	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1659892"	311.088988	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"161285"	561.10764	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"603035"	803.20194	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1091921"	319.01334	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"149833"	281.057458	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"590487"	402.104608	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1076091"	160.010308	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1111489"	321.027892	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1344593"	321.115507	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1015311"	325.154676	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1530156"	326.148308	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"997698"	163.080976	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1595480"	327.062928	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1422234"	357.094438	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1154709"	183.594251	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1702075"	374.120985	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1643197"	379.07638	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1577756"	395.05032	"C10366"	"Lapachol"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"815778"	242.0943	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M"	0
"987125"	223.07591	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"69901"	160.388924	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"510556"	241.087024	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"883988"	79.690824	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"4750"	241.087024	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"443216"	362.134174	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"823199"	120.039874	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"85379"	483.181324	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"526031"	725.275624	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"901651"	241.087024	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"49468"	500.207871	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"491215"	742.302171	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"865857"	258.113571	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"31527"	505.163266	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"473199"	747.257566	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"852097"	263.068966	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1626010"	263.068966	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"95976"	259.075363	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"535535"	380.122513	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"929050"	138.028213	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"274169"	519.158002	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"659990"	761.252302	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1273276"	277.063702	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"15798"	521.137206	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"456609"	763.231506	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"833317"	279.042906	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1556112"	279.042906	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"944450"	287.092494	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"361478"	529.186801	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"347279"	543.202451	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1495020"	301.108151	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"960373"	309.074451	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"112199"	277.063702	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"551029"	398.110852	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1023842"	156.016552	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1245243"	321.013185	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1306596"	323.069172	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1320933"	345.051129	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"915154"	355.079886	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1290403"	391.056564	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1368316"	207.081624	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1385327"	225.0916	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"284288"	485.195876	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"677809"	727.290176	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1351963"	243.101576	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"126312"	243.101576	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"566361"	364.148726	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1041969"	122.054426	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"210961"	162.403476	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"646149"	243.101576	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1163546"	81.705376	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"428640"	502.222423	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"791821"	744.316723	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1689243"	260.128123	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"334242"	251.6148495	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"726659"	372.6619995	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1478781"	130.5676995	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"394909"	507.177818	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"757977"	749.272118	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1612646"	265.083518	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"322682"	254.092547	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"715102"	375.139697	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1472204"	133.045397	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1061075"	89.03269	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1260566"	275.127786	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"380236"	523.151758	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"742325"	765.246058	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1547663"	281.057458	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"301558"	262.079517	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"704559"	383.126667	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1456188"	141.032367	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"244061"	526.222426	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1215674"	284.128126	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1202839"	142.567701	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"197899"	529.15976	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"639282"	771.25406	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1142058"	287.06546	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"178789"	265.083518	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"620536"	386.130668	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1130606"	144.036368	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1409754"	96.360004	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1439683"	289.107046	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"230472"	270.11654	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1516348"	303.15909	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"414940"	273.070488	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"773746"	394.117638	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1671172"	152.023338	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"255508"	548.204368	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1231495"	306.110068	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1719287"	306.133593	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1182455"	103.687318	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1653441"	311.088988	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"158115"	561.10764	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"603144"	803.20194	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1089844"	319.01334	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"146662"	281.057458	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"586224"	402.104608	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1072921"	160.010308	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1110506"	321.027892	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1343610"	321.115507	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1013234"	325.154676	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1528080"	326.148308	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"997807"	163.080976	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1592310"	327.062928	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1424531"	357.094438	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1152632"	183.594251	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1701091"	374.120985	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1644400"	379.07638	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1577866"	395.05032	"C10367"	"beta-Lapachone"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"813701"	174.0317	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M"	0
"988329"	155.01331	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-H2O-H"	-19.01839
"73291"	115.013857333333	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M-3H"	-3.021828
"510666"	173.024424	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M-3H"	-3.021828
"885191"	57.0032906666667	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-3H"	-3.021828
"3765"	173.024424	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M-2H"	-2.014552
"445511"	260.040274	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M-2H"	-2.014552
"823309"	86.008574	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-2H"	-2.014552
"86582"	347.056124	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M-H"	-1.007276
"523955"	521.087824	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M-H"	-1.007276
"901758"	173.024424	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-H"	-1.007276
"49577"	364.082671	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M-2H+NH4"	16.019271
"492418"	538.114371	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M-2H+NH4"	16.019271
"866939"	190.050971	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-2H+NH4"	16.019271
"32282"	369.038066	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M-2H+Na"	20.974666
"472325"	543.069766	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M-2H+Na"	20.974666
"851113"	195.006366	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-2H+Na"	20.974666
"1626120"	195.006366	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Na-2H"	20.974666
"97179"	191.012763	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M-H+Cl"	33.962126
"538196"	278.028613	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M-H+Cl"	33.962126
"929888"	103.996913	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-H+Cl"	33.962126
"274643"	383.032802	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+Cl"	34.969402
"660985"	557.064502	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+Cl"	34.969402
"1276549"	209.001102	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Cl"	34.969402
"17648"	385.012006	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M-2H+K"	36.948606
"455879"	559.043706	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M-2H+K"	36.948606
"833591"	210.980306	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-2H+K"	36.948606
"1556026"	210.980306	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+K-2H"	36.948606
"946381"	219.029894	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-H+HCOOH"	44.998194
"362774"	393.061601	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+HCOOH-H"	44.998201
"348118"	407.077251	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+Hac-H"	59.013851
"1496951"	233.045551	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Hac-H"	59.013851
"961211"	241.011851	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-H+NaCOOH"	66.980151
"113035"	209.001102	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+2Cl"	69.938804
"554054"	296.016952	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+2Cl"	69.938804
"1024316"	121.985252	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2Cl"	69.938804
"1244983"	252.950585	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Br"	78.918885
"1308528"	255.006572	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Cl+HCOOH"	80.974872
"1321286"	276.988529	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Cl+NaCOOH"	102.956829
"915993"	287.017286	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M-H+CF3COOH"	112.985586
"1290876"	322.993964	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Cl+CF3COOH"	148.962264
"1369035"	139.019024	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H-2H2O"	-35.012676
"1384465"	157.029	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H-H2O"	-17.0027
"283789"	349.070676	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+H"	1.007276
"678647"	523.102376	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+H"	1.007276
"1352438"	175.038976	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H"	1.007276
"127153"	175.038976	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+2H"	2.014552
"568903"	262.054826	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+2H"	2.014552
"1044265"	88.023126	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2H"	2.014552
"215444"	117.028409333333	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+3H"	3.021828
"648445"	175.038976	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+3H"	3.021828
"1166572"	59.0178426666667	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+3H"	3.021828
"429845"	366.097223	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+NH4"	18.033823
"790837"	540.128923	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+NH4"	18.033823
"1684979"	192.065523	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+NH4"	18.033823
"334351"	183.5522495	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+H+NH4"	19.041099
"723853"	270.5680995	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+H+NH4"	19.041099
"1479500"	96.5363995	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H+NH4"	19.041099
"395991"	371.052618	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+Na"	22.989218
"755045"	545.084318	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+Na"	22.989218
"1608374"	197.020918	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Na"	22.989218
"322788"	186.029947	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+H+Na"	23.996494
"714118"	273.045797	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+H+Na"	23.996494
"1472314"	99.014097	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H+Na"	23.996494
"1056811"	66.3451566666667	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2H+Na"	25.00377
"1261768"	207.065186	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+CH3OH+H"	33.033486
"381437"	387.026558	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+K"	38.963158
"743523"	561.058258	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+K"	38.963158
"1540965"	212.994858	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+K"	38.963158
"302761"	194.016917	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+H+K"	39.970434
"706006"	281.032767	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+H+K"	39.970434
"1455205"	107.001067	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H+K"	39.970434
"243078"	390.097226	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+ACN+H"	42.033826
"1216877"	216.065526	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+ACN+H"	42.033826
"1200763"	108.536401	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+ACN+2H"	43.041102
"198009"	393.03456	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+2Na-H"	44.97116
"639756"	567.06626	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+2Na-H"	44.97116
"1141075"	219.00286	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2Na-H"	44.97116
"178899"	197.020918	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+2Na"	45.978436
"620646"	284.036768	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+2Na"	45.978436
"1129501"	110.005068	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2Na"	45.978436
"1407677"	73.6724706666667	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H+2Na"	46.985712
"1439793"	221.044446	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H+HCOOH"	47.012746
"229489"	202.05394	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+3H2O+2H"	56.04448
"1517551"	235.09649	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+IsoProp+H"	61.06479
"415050"	205.007888	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+Na+K"	61.952376
"774949"	292.023738	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+Na+K"	61.952376
"1671282"	117.992038	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Na+K"	61.952376
"257804"	412.079168	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+ACN+Na"	64.015768
"1232698"	238.047468	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+ACN+Na"	64.015768
"1718304"	238.070993	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+NH4+HCOOH"	64.039293
"1185845"	80.9997846666667	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+3Na"	68.967654
"1653551"	243.026388	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Na+HCOOH"	68.994688
"163692"	424.98244	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+2K-H"	76.91904
"604348"	599.01414	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+2K-H"	76.91904
"1092140"	250.95074	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2K-H"	76.91904
"152239"	212.994858	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"2M+2K"	77.926316
"591800"	300.010708	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"3M+2K"	77.926316
"1071937"	125.979008	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2K"	77.926316
"1112802"	252.965292	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2K+H"	78.933592
"1345906"	253.052907	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+DMSO+H"	79.021207
"1015530"	257.092076	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2ACN+H"	83.060376
"1531469"	258.085708	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+IsoProp+Na+H"	84.054008
"999010"	129.049676	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+2ACN+2H"	84.067652
"1590232"	259.000328	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+K+HCOOH"	84.968628
"1424641"	289.031838	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+H+CF3COOH"	115.000138
"1152742"	149.562951	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+3ACN+2H"	125.094202
"1704481"	306.058385	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+NH4+CF3COOH"	132.026685
"1645603"	311.01378	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+Na+CF3COOH"	136.98208
"1577976"	326.98772	"C10368"	"Lawsone"	"C10H6O3"	"174.0317"	"M+K+CF3COOH"	152.95602
"815634"	270.0528	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M"	0
"988439"	251.03441	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"73401"	179.027924	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"510776"	269.045524	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"888581"	89.010324	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"7155"	269.045524	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"443435"	404.071924	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"826705"	134.019124	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"82318"	539.098324	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"522972"	809.151124	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"899681"	269.045524	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"50781"	556.124871	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"493622"	826.177671	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"867049"	286.072071	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"33367"	561.080266	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"472805"	831.133066	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"850130"	291.027466	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1629510"	291.027466	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"100571"	287.033863	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"537212"	422.060263	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"929997"	152.007463	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"272200"	575.075002	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"661338"	845.127802	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1276659"	305.022202	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"18121"	577.054206	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"456951"	847.107006	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"833902"	307.001406	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1558973"	307.001406	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"949408"	315.050994	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"365802"	585.103801	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"350052"	599.119451	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1495969"	329.066651	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"960956"	337.032951	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"112420"	305.022202	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"552345"	440.048602	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1025150"	169.995802	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1243272"	348.971685	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1307909"	351.027672	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1323586"	373.009629	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"914645"	383.038386	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1289281"	419.015064	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1368782"	235.040124	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1383076"	253.0501	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"283898"	541.112876	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"679120"	811.165676	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1352553"	271.060076	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"127630"	271.060076	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"572293"	406.086476	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1046560"	136.033676	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"210088"	181.042476	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"650743"	271.060076	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1168869"	91.024876	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"432141"	558.139423	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"789126"	828.192223	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1686182"	288.086623	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"334827"	279.5733495	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"725790"	414.5997495	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1478637"	144.5469495	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"395008"	563.094818	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"755153"	833.147618	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1608848"	293.042018	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"320711"	282.051047	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"710943"	417.077447	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1469145"	147.024647	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1058014"	98.35219	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1264064"	303.086286	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"382640"	579.068758	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"742541"	849.121558	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1541319"	309.015958	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"303965"	290.038017	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"704780"	425.064417	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1456772"	155.011617	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"244281"	582.139426	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1215894"	312.086626	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1203059"	156.546951	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"201035"	585.07676	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"640960"	855.12956	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1144466"	315.02396	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"180102"	293.042018	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"620756"	428.068418	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1130218"	158.015618	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1407787"	105.679504	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1439903"	317.065546	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"230692"	298.07504	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1518754"	331.11759	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"415160"	301.028988	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"775060"	436.055388	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1672485"	166.002588	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"260101"	604.121368	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1236089"	334.068568	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1719508"	334.092093	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1185956"	113.006818	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1658035"	339.047488	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"161616"	617.02464	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"602271"	887.07744	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1095532"	346.97184	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"150162"	309.015958	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"591909"	444.042358	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1081894"	173.989558	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1112188"	348.986392	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1348204"	349.074007	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1015640"	353.113176	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1533766"	354.106808	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"998026"	177.060226	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1594716"	355.021428	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1422563"	385.052938	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1152852"	197.573501	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1704591"	402.079485	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1645713"	407.03488	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1578086"	423.00882	"C10369"	"Lucidin"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"814651"	284.0685	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M"	0
"989567"	265.05011	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"78533"	188.371724	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"515260"	283.061224	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"888688"	93.682224	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"11638"	283.061224	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"449012"	425.095474	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"825721"	141.026974	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"79148"	567.129724	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"523083"	851.198224	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"900885"	283.061224	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"53078"	584.156271	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"493732"	868.224771	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"867159"	300.087771	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"32626"	589.111666	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"471452"	873.180166	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"851331"	305.043166	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1631807"	305.043166	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"101045"	301.049563	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"538051"	443.083813	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"929743"	159.015313	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"273403"	603.106402	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"662178"	887.174902	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1277862"	319.037902	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"19325"	605.085606	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"458885"	889.154106	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"835593"	321.017106	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1559450"	321.017106	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"948426"	329.066694	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"366643"	613.135201	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"353808"	627.150851	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1498266"	343.082351	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"961434"	351.048651	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"115813"	319.037902	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"554280"	461.072152	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1025263"	177.003652	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1244842"	362.987385	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1307291"	365.043372	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1322967"	387.025329	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"911839"	397.054086	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1288660"	433.030764	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1367799"	249.055824	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1383835"	267.0658	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"283158"	569.144276	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"679231"	853.212776	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1355580"	285.075776	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"133936"	285.075776	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"576777"	427.110026	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1047400"	143.041526	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"213478"	190.386276	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"651946"	285.075776	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1168977"	95.696776	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"432252"	586.170823	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"794338"	870.239323	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1688481"	302.102323	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"336761"	293.5890495	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"725902"	435.6232995	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1478627"	151.5547995	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"395120"	591.126218	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"755628"	875.194718	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1608958"	307.057718	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"321912"	296.066747	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"709959"	438.100997	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1468158"	154.032497	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1058486"	103.02409	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1261986"	317.101986	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"381656"	607.100158	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"741557"	891.168658	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1540942"	323.031658	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"304075"	304.053717	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"706185"	446.087967	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1456882"	162.019467	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"242203"	610.170826	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1220375"	326.102326	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1203169"	163.554801	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"202602"	613.10816	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"638882"	897.17666	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1146158"	329.03966	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"186409"	307.057718	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"625240"	449.091968	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1129840"	165.023468	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1411177"	110.351404	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1444387"	331.081246	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"230801"	312.09074	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1514490"	345.13329	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"416363"	315.044688	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"776264"	457.078938	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1671501"	173.010438	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"263491"	632.152768	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1236199"	348.084268	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1723992"	348.107793	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1188253"	117.678718	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1658145"	353.063188	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"161726"	645.05604	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"605661"	929.12454	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1094548"	360.98754	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"150272"	323.031658	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"589833"	465.065908	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1082004"	180.997408	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1111206"	363.002092	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1347220"	363.089707	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1016844"	367.128876	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1533876"	368.122508	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"1003604"	184.068076	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1594826"	369.037128	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1415383"	399.068638	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1147249"	204.581351	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1701421"	416.095185	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1639261"	421.05058	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1577103"	437.02452	"C10370"	"Lucidin omega-methyl ether;2-(Methoxymethyl)-13-dihydroxyanthraquinone"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"814397"	228.115	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M"	0
"988659"	209.09661	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-H2O-H"	-19.01839
"75808"	151.069390666667	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M-3H"	-3.021828
"510996"	227.107724	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M-3H"	-3.021828
"885518"	75.0310573333333	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-3H"	-3.021828
"9561"	227.107724	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M-2H"	-2.014552
"445842"	341.165224	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M-2H"	-2.014552
"824738"	113.050224	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-2H"	-2.014552
"78809"	455.222724	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M-H"	-1.007276
"521127"	683.337724	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M-H"	-1.007276
"898808"	227.107724	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-H"	-1.007276
"57563"	472.249271	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M-2H+NH4"	16.019271
"492749"	700.364271	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M-2H+NH4"	16.019271
"867269"	244.134271	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-2H+NH4"	16.019271
"32251"	477.204666	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M-2H+Na"	20.974666
"471811"	705.319666	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M-2H+Na"	20.974666
"848927"	249.089666	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-2H+Na"	20.974666
"1633011"	249.089666	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Na-2H"	20.974666
"102980"	245.096063	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M-H+Cl"	33.962126
"539255"	359.153563	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M-H+Cl"	33.962126
"929853"	131.038563	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-H+Cl"	33.962126
"276795"	491.199402	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+Cl"	34.969402
"667028"	719.314402	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+Cl"	34.969402
"1278339"	263.084402	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Cl"	34.969402
"19801"	493.178606	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M-2H+K"	36.948606
"460456"	721.293606	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M-2H+K"	36.948606
"836069"	265.063606	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-2H+K"	36.948606
"1557373"	265.063606	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+K-2H"	36.948606
"949630"	273.113194	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-H+HCOOH"	44.998194
"366752"	501.228201	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+HCOOH-H"	44.998201
"352825"	515.243851	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+Hac-H"	59.013851
"1503481"	287.128851	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Hac-H"	59.013851
"967013"	295.095151	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-H+NaCOOH"	66.980151
"115923"	263.084402	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+2Cl"	69.938804
"559493"	377.141902	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+2Cl"	69.938804
"1026469"	149.026902	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2Cl"	69.938804
"1246046"	307.033885	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Br"	78.918885
"1307402"	309.089872	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Cl+HCOOH"	80.974872
"1321984"	331.071829	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Cl+NaCOOH"	102.956829
"911500"	341.100586	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M-H+CF3COOH"	112.985586
"1288776"	377.077264	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Cl+CF3COOH"	148.962264
"1369007"	193.102324	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H-2H2O"	-35.012676
"1384675"	211.1123	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H-H2O"	-17.0027
"283023"	457.237276	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+H"	1.007276
"680434"	685.352276	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+H"	1.007276
"1355690"	229.122276	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H"	1.007276
"134046"	229.122276	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+2H"	2.014552
"574700"	343.179776	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+2H"	2.014552
"1049698"	115.064776	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2H"	2.014552
"214682"	153.083942666667	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+3H"	3.021828
"653151"	229.122276	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+3H"	3.021828
"1172368"	77.0456093333333	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+3H"	3.021828
"432363"	474.263823	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+NH4"	18.033823
"795541"	702.378823	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+NH4"	18.033823
"1687498"	246.148823	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+NH4"	18.033823
"337965"	237.6355495	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+H+NH4"	19.041099
"727106"	351.6930495	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+H+NH4"	19.041099
"1478738"	123.5780495	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H+NH4"	19.041099
"393407"	479.219218	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+Na"	22.989218
"754318"	707.334218	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+Na"	22.989218
"1603963"	251.104218	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Na"	22.989218
"315459"	240.113247	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+H+Na"	23.996494
"707467"	354.170747	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+H+Na"	23.996494
"1463523"	126.055747	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H+Na"	23.996494
"1057135"	84.3729233333333	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2H+Na"	25.00377
"1257718"	261.148486	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+CH3OH+H"	33.033486
"378480"	495.193158	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+K"	38.963158
"738662"	723.308158	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+K"	38.963158
"1540567"	267.078158	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+K"	38.963158
"300903"	248.100217	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+H+K"	39.970434
"703172"	362.157717	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+H+K"	39.970434
"1456992"	134.042717	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H+K"	39.970434
"243406"	498.263826	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+ACN+H"	42.033826
"1218299"	270.148826	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+ACN+H"	42.033826
"1203279"	135.578051	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+ACN+2H"	43.041102
"203689"	501.20116	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+2Na-H"	44.97116
"638991"	729.31616	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+2Na-H"	44.97116
"1145781"	273.08616	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2Na-H"	44.97116
"187371"	251.104218	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+2Na"	45.978436
"627663"	365.161718	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+2Na"	45.978436
"1128856"	137.046718	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2Na"	45.978436
"1412380"	91.7002373333333	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H+2Na"	46.985712
"1440122"	275.127746	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H+HCOOH"	47.012746
"229818"	256.13724	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+3H2O+2H"	56.04448
"1514599"	289.17979	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+IsoProp+H"	61.06479
"411369"	259.091188	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+Na+K"	61.952376
"771998"	373.148688	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+Na+K"	61.952376
"1671611"	145.033688	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Na+K"	61.952376
"254852"	520.245768	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+ACN+Na"	64.015768
"1231934"	292.130768	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+ACN+Na"	64.015768
"1718634"	292.154293	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+NH4+HCOOH"	64.039293
"1182895"	99.0275513333333	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+3Na"	68.967654
"1654974"	297.109688	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Na+HCOOH"	68.994688
"159649"	533.14904	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+2K-H"	76.91904
"605771"	761.26404	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+2K-H"	76.91904
"1092471"	305.03404	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2K-H"	76.91904
"142726"	267.078158	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"2M+2K"	77.926316
"593225"	381.135658	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"3M+2K"	77.926316
"1080656"	153.020658	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2K"	77.926316
"1112769"	307.048592	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2K+H"	78.933592
"1341862"	307.136207	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+DMSO+H"	79.021207
"1014768"	311.175376	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2ACN+H"	83.060376
"1525237"	312.169008	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+IsoProp+Na+H"	84.054008
"992779"	156.091326	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+2ACN+2H"	84.067652
"1587197"	313.083628	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+K+HCOOH"	84.968628
"1414352"	343.115138	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+H+CF3COOH"	115.000138
"1147968"	176.604601	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+3ACN+2H"	125.094202
"1701531"	360.141685	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+NH4+CF3COOH"	132.026685
"1639371"	365.09708	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+Na+CF3COOH"	136.98208
"1571457"	381.07102	"C10371"	"Mansonone C;38-Dimethyl-5-isopropyl-12-naphthalenedione"	"C15H16O2"	"228.115"	"M+K+CF3COOH"	152.95602
"815235"	272.1049	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M"	0
"987676"	253.08651	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"75554"	180.395990666667	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"513292"	271.097624	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"882346"	89.6943573333333	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"8578"	271.097624	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"444858"	407.150074	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"821567"	135.045174	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"79243"	543.202524	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"521116"	815.307424	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"898918"	271.097624	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"57673"	560.229071	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"493952"	832.333971	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"869565"	288.124171	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"35277"	565.184466	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"472653"	837.289366	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"849728"	293.079566	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1629840"	293.079566	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"104183"	289.085963	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"537544"	425.138413	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"930694"	153.033513	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"275814"	579.179202	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"668234"	851.284102	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1276627"	307.074302	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"19183"	581.158406	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"461660"	853.263306	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"836179"	309.053506	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1557484"	309.053506	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"947554"	317.103094	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"365770"	589.208001	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"352935"	603.223651	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1501405"	331.118751	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"961656"	339.085051	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"116033"	307.074302	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"559603"	443.126752	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1029860"	171.021852	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1248345"	351.023785	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1310794"	353.079772	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1323917"	375.061729	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"914975"	385.090486	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1288888"	421.067164	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1369117"	237.092224	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1383048"	255.1022	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"284839"	545.217076	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"680544"	817.321976	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1355800"	273.112176	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"134156"	273.112176	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"576633"	409.164626	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1049079"	137.059726	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"218805"	182.410542666667	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"655449"	273.112176	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1174665"	91.7089093333333	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"434659"	562.243623	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"797839"	834.348523	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1689794"	290.138723	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"339165"	281.6254495	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"728307"	417.6778995	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1481036"	145.5729995	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"394248"	567.199018	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"756092"	839.303918	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1605166"	295.094118	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"316297"	284.103147	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"707984"	420.155597	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1464725"	148.050697	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1056879"	99.0362233333333	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1257829"	305.138386	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"377696"	583.172958	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"739589"	855.277858	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1542742"	311.068058	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"301378"	292.090117	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"702189"	428.142567	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1458195"	156.037667	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"246798"	586.243626	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1220599"	314.138726	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1202296"	157.573001	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"204150"	589.18096	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"640195"	861.28586	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1145770"	317.07606	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"187848"	295.094118	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"628018"	431.146568	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1129453"	159.041668	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1413710"	106.363537333333	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1442418"	319.117646	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"225553"	300.12714	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1515803"	333.16969	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"416580"	303.081088	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"772107"	439.133538	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1672814"	167.028638	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"256055"	608.225568	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1228764"	336.120668	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1719837"	336.144193	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1186285"	113.690851333333	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1655084"	341.099588	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"159758"	621.12884	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"605881"	893.23374	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1092581"	349.02394	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"142835"	311.068058	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"592242"	447.120508	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1079674"	175.015608	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1112880"	351.038492	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1343065"	351.126107	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1014877"	355.165276	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1524859"	356.158908	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"996169"	178.086276	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1587507"	357.073528	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1414378"	387.105038	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1147956"	198.599551	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1701640"	404.131585	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1640574"	409.08698	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1571855"	425.06092	"C10372"	"9-Methoxy-alpha-lapachone"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"815710"	308.1988	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M"	0
"987786"	289.18041	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-H2O-H"	-19.01839
"70560"	204.458590666667	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M-3H"	-3.021828
"514495"	307.191524	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M-3H"	-3.021828
"881363"	101.725657333333	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-3H"	-3.021828
"4313"	307.191524	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M-2H"	-2.014552
"446061"	461.290924	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M-2H"	-2.014552
"822770"	153.092124	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-2H"	-2.014552
"83853"	615.390324	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M-H"	-1.007276
"519156"	923.589124	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M-H"	-1.007276
"899028"	307.191524	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-H"	-1.007276
"56689"	632.416871	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M-2H+NH4"	16.019271
"491875"	940.615671	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M-2H+NH4"	16.019271
"870768"	324.218071	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-2H+NH4"	16.019271
"34294"	637.372266	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M-2H+Na"	20.974666
"473855"	945.571066	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M-2H+Na"	20.974666
"850567"	329.173466	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-2H+Na"	20.974666
"1626670"	329.173466	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Na-2H"	20.974666
"104293"	325.179863	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M-H+Cl"	33.962126
"538747"	479.279263	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M-H+Cl"	33.962126
"928252"	171.080463	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-H+Cl"	33.962126
"275924"	651.367002	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+Cl"	34.969402
"668344"	959.565802	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+Cl"	34.969402
"1276734"	343.168202	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Cl"	34.969402
"19656"	653.346206	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M-2H+K"	36.948606
"461769"	961.545006	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M-2H+K"	36.948606
"836288"	345.147406	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-2H+K"	36.948606
"1557594"	345.147406	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+K-2H"	36.948606
"944015"	353.196994	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-H+HCOOH"	44.998194
"362110"	661.395801	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+HCOOH-H"	44.998201
"349035"	675.411451	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+Hac-H"	59.013851
"1497505"	367.212651	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Hac-H"	59.013851
"960304"	375.178951	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-H+NaCOOH"	66.980151
"117236"	343.168202	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+2Cl"	69.938804
"557890"	497.267602	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+2Cl"	69.938804
"1026689"	189.068802	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2Cl"	69.938804
"1246268"	387.117685	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Br"	78.918885
"1310904"	389.173672	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Cl+HCOOH"	80.974872
"1325121"	411.155629	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Cl+NaCOOH"	102.956829
"913992"	421.184386	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M-H+CF3COOH"	112.985586
"1289605"	457.161064	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Cl+CF3COOH"	148.962264
"1369227"	273.186124	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H-2H2O"	-35.012676
"1384171"	291.1961	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H-H2O"	-17.0027
"286042"	617.404876	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+H"	1.007276
"680654"	925.603676	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+H"	1.007276
"1352628"	309.206076	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H"	1.007276
"135360"	309.206076	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+2H"	2.014552
"580996"	463.305476	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+2H"	2.014552
"1051741"	155.106676	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2H"	2.014552
"215995"	206.473142666667	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+3H"	3.021828
"656285"	309.206076	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+3H"	3.021828
"1175869"	103.740209333333	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+3H"	3.021828
"435860"	634.431423	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+NH4"	18.033823
"795761"	942.630223	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+NH4"	18.033823
"1687717"	326.232623	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+NH4"	18.033823
"335996"	317.7193495	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+H+NH4"	19.041099
"729511"	471.8187495	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+H+NH4"	19.041099
"1483332"	163.6199495	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H+NH4"	19.041099
"397638"	639.386818	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+Na"	22.989218
"756446"	947.585618	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+Na"	22.989218
"1605276"	331.188018	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Na"	22.989218
"316043"	320.197047	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+H+Na"	23.996494
"708946"	474.296447	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+H+Na"	23.996494
"1463015"	166.097647	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H+Na"	23.996494
"1056261"	111.067523333333	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2H+Na"	25.00377
"1258305"	341.232286	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+CH3OH+H"	33.033486
"377525"	655.360758	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+K"	38.963158
"739011"	963.559558	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+K"	38.963158
"1543579"	347.161958	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+K"	38.963158
"300392"	328.184017	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+H+K"	39.970434
"701206"	482.283417	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+H+K"	39.970434
"1456119"	174.084617	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H+K"	39.970434
"244722"	658.431426	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+ACN+H"	42.033826
"1219616"	350.232626	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+ACN+H"	42.033826
"1201313"	175.619951	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+ACN+2H"	43.041102
"203062"	661.36876	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+2Na-H"	44.97116
"639211"	969.56756	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+2Na-H"	44.97116
"1145883"	353.16996	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2Na-H"	44.97116
"184552"	331.188018	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+2Na"	45.978436
"627032"	485.287418	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+2Na"	45.978436
"1124702"	177.088618	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2Na"	45.978436
"1408226"	118.394837333333	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H+2Na"	46.985712
"1438153"	355.211546	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H+HCOOH"	47.012746
"227849"	336.22104	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+3H2O+2H"	56.04448
"1512631"	369.26359	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+IsoProp+H"	61.06479
"409885"	339.174988	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+Na+K"	61.952376
"772218"	493.274388	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+Na+K"	61.952376
"1672924"	185.075588	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Na+K"	61.952376
"257258"	680.413368	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+ACN+Na"	64.015768
"1229967"	372.214568	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+ACN+Na"	64.015768
"1717760"	372.238093	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+NH4+HCOOH"	64.039293
"1181292"	125.722151333333	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+3Na"	68.967654
"1653007"	377.193488	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Na+HCOOH"	68.994688
"160961"	693.31664	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+2K-H"	76.91904
"602710"	1001.51544	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+2K-H"	76.91904
"1089409"	385.11784	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2K-H"	76.91904
"142337"	347.161958	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"2M+2K"	77.926316
"582507"	501.261358	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"3M+2K"	77.926316
"1080144"	193.062558	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2K"	77.926316
"1106791"	387.132392	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2K+H"	78.933592
"1339895"	387.220007	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+DMSO+H"	79.021207
"1011705"	391.259176	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2ACN+H"	83.060376
"1528737"	392.252808	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+IsoProp+Na+H"	84.054008
"995185"	196.133226	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+2ACN+2H"	84.067652
"1588595"	393.167428	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+K+HCOOH"	84.968628
"1414248"	423.198938	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+H+CF3COOH"	115.000138
"1147945"	216.646501	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+3ACN+2H"	125.094202
"1698470"	440.225485	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+NH4+CF3COOH"	132.026685
"1642871"	445.18088	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+Na+CF3COOH"	136.98208
"1571965"	461.15482	"C10373"	"5-O-Methylembelin"	"C18H28O4"	"308.1988"	"M+K+CF3COOH"	152.95602
"816184"	252.0423	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M"	0
"988625"	233.02391	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-H2O-H"	-19.01839
"76138"	167.020924	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M-3H"	-3.021828
"514606"	251.035024	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M-3H"	-3.021828
"886940"	83.006824	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-3H"	-3.021828
"4424"	251.035024	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M-2H"	-2.014552
"443985"	377.056174	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M-2H"	-2.014552
"823974"	125.013874	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-2H"	-2.014552
"85056"	503.077324	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M-H"	-1.007276
"519266"	755.119624	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M-H"	-1.007276
"899138"	251.035024	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-H"	-1.007276
"53519"	520.103871	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M-2H+NH4"	16.019271
"491985"	772.146171	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M-2H+NH4"	16.019271
"870878"	268.061571	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-2H+NH4"	16.019271
"36594"	525.059266	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M-2H+Na"	20.974666
"472384"	777.101566	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M-2H+Na"	20.974666
"849947"	273.016966	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-2H+Na"	20.974666
"1626780"	273.016966	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Na-2H"	20.974666
"98205"	269.023363	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M-H+Cl"	33.962126
"536305"	395.044513	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M-H+Cl"	33.962126
"930914"	143.002213	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-H+Cl"	33.962126
"271659"	539.054002	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+Cl"	34.969402
"669547"	791.096302	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+Cl"	34.969402
"1277574"	287.011702	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Cl"	34.969402
"22318"	541.033206	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M-2H+K"	36.948606
"460786"	793.075506	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M-2H+K"	36.948606
"837128"	288.990906	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-2H+K"	36.948606
"1557703"	288.990906	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+K-2H"	36.948606
"944854"	297.040494	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-H+HCOOH"	44.998194
"365991"	549.082801	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+HCOOH-H"	44.998201
"348781"	563.098451	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+Hac-H"	59.013851
"1494456"	311.056151	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Hac-H"	59.013851
"959687"	319.022451	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-H+NaCOOH"	66.980151
"114066"	287.011702	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+2Cl"	69.938804
"558000"	413.032852	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+2Cl"	69.938804
"1026799"	160.990552	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2Cl"	69.938804
"1248565"	330.961185	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Br"	78.918885
"1309921"	333.017172	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Cl+HCOOH"	80.974872
"1326324"	354.999129	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Cl+NaCOOH"	102.956829
"916288"	365.027886	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M-H+CF3COOH"	112.985586
"1290810"	401.004564	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Cl+CF3COOH"	148.962264
"1370066"	217.029624	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H-2H2O"	-35.012676
"1384281"	235.0396	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H-H2O"	-17.0027
"283602"	505.091876	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+H"	1.007276
"677485"	757.134176	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+H"	1.007276
"1353831"	253.049576	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H"	1.007276
"136200"	253.049576	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+2H"	2.014552
"578312"	379.070726	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+2H"	2.014552
"1044925"	127.028426	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2H"	2.014552
"216835"	169.035476	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+3H"	3.021828
"655303"	253.049576	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+3H"	3.021828
"1172701"	85.021376	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+3H"	3.021828
"433784"	522.118423	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+NH4"	18.033823
"794779"	774.160723	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+NH4"	18.033823
"1687828"	270.076123	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+NH4"	18.033823
"335013"	261.5628495	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+H+NH4"	19.041099
"729621"	387.5839995	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+H+NH4"	19.041099
"1484535"	135.5416995	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H+NH4"	19.041099
"398841"	527.073818	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+Na"	22.989218
"756192"	779.116118	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+Na"	22.989218
"1604295"	275.031518	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Na"	22.989218
"315425"	264.040547	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+H+Na"	23.996494
"708935"	390.061697	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+H+Na"	23.996494
"1463848"	138.019397	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H+Na"	23.996494
"1053697"	92.34869	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2H+Na"	25.00377
"1258287"	285.075786	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+CH3OH+H"	33.033486
"378320"	543.047758	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+K"	38.963158
"739320"	795.090058	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+K"	38.963158
"1546241"	291.005458	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+K"	38.963158
"301232"	272.027517	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+H+K"	39.970434
"701316"	398.048667	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+H+K"	39.970434
"1455135"	146.006367	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H+K"	39.970434
"245925"	546.118426	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+ACN+H"	42.033826
"1218633"	294.076126	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+ACN+H"	42.033826
"1204704"	147.541701	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+ACN+2H"	43.041102
"203411"	549.05576	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+2Na-H"	44.97116
"639320"	801.09806	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+2Na-H"	44.97116
"1140639"	297.01346	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2Na-H"	44.97116
"184661"	275.031518	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+2Na"	45.978436
"626408"	401.052668	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+2Na"	45.978436
"1129794"	149.010368	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2Na"	45.978436
"1409430"	99.676004	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H+2Na"	46.985712
"1438264"	299.055046	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H+HCOOH"	47.012746
"226867"	280.06454	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+3H2O+2H"	56.04448
"1514928"	313.10709	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+IsoProp+H"	61.06479
"413520"	283.018488	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+Na+K"	61.952376
"772328"	409.039638	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+Na+K"	61.952376
"1671941"	156.997338	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Na+K"	61.952376
"256275"	568.100368	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+ACN+Na"	64.015768
"1228984"	316.058068	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+ACN+Na"	64.015768
"1714590"	316.081593	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+NH4+HCOOH"	64.039293
"1181038"	107.003318	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+3Na"	68.967654
"1652023"	321.036988	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Na+HCOOH"	68.994688
"161071"	581.00364	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+2K-H"	76.91904
"599540"	833.04594	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+2K-H"	76.91904
"1090613"	328.96134	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2K-H"	76.91904
"145243"	291.005458	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"2M+2K"	77.926316
"582617"	417.026608	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"3M+2K"	77.926316
"1069916"	164.984308	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2K"	77.926316
"1103621"	330.975892	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2K+H"	78.933592
"1336837"	331.063507	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+DMSO+H"	79.021207
"1011815"	335.102676	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2ACN+H"	83.060376
"1527753"	336.096308	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+IsoProp+Na+H"	84.054008
"992015"	168.054976	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+2ACN+2H"	84.067652
"1587405"	337.010928	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+K+HCOOH"	84.968628
"1414965"	367.042438	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+H+CF3COOH"	115.000138
"1148055"	188.568251	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+3ACN+2H"	125.094202
"1697029"	384.068985	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+NH4+CF3COOH"	132.026685
"1641888"	389.02438	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+Na+CF3COOH"	136.98208
"1577543"	404.99832	"C10374"	"Morindaparvin A;12-Methylenedioxyanthraquinone"	"C15H8O4"	"252.0423"	"M+K+CF3COOH"	152.95602
"814472"	349.1525	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M"	0
"987641"	330.13411	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-H2O-H"	-19.01839
"75155"	231.761057333333	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M-3H"	-3.021828
"513623"	348.145224	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M-3H"	-3.021828
"889237"	115.376890666667	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-3H"	-3.021828
"3441"	348.145224	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M-2H"	-2.014552
"444095"	522.721474	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M-2H"	-2.014552
"824084"	173.568974	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-2H"	-2.014552
"84073"	697.297724	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M-H"	-1.007276
"519135"	1046.450224	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M-H"	-1.007276
"899248"	348.145224	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-H"	-1.007276
"53629"	714.324271	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M-2H+NH4"	16.019271
"492095"	1063.476771	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M-2H+NH4"	16.019271
"870988"	365.171771	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-2H+NH4"	16.019271
"36704"	719.279666	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M-2H+Na"	20.974666
"474075"	1068.432166	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M-2H+Na"	20.974666
"850422"	370.127166	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-2H+Na"	20.974666
"1630170"	370.127166	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Na-2H"	20.974666
"98679"	366.133563	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M-H+Cl"	33.962126
"535807"	540.709813	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M-H+Cl"	33.962126
"931024"	191.557313	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-H+Cl"	33.962126
"269946"	733.274402	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+Cl"	34.969402
"664190"	1082.426902	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+Cl"	34.969402
"1276590"	384.121902	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Cl"	34.969402
"22428"	735.253606	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M-2H+K"	36.948606
"457981"	1084.406106	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M-2H+K"	36.948606
"836512"	386.101106	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-2H+K"	36.948606
"1556841"	386.101106	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+K-2H"	36.948606
"946060"	394.150694	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-H+HCOOH"	44.998194
"366101"	743.303201	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+HCOOH-H"	44.998201
"348891"	757.318851	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+Hac-H"	59.013851
"1494445"	408.166351	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Hac-H"	59.013851
"959917"	416.132651	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-H+NaCOOH"	66.980151
"114176"	384.121902	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+2Cl"	69.938804
"554830"	558.698152	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+2Cl"	69.938804
"1029095"	209.545652	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2Cl"	69.938804
"1249769"	428.071385	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Br"	78.918885
"1311124"	430.127372	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Cl+HCOOH"	80.974872
"1329715"	452.109329	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Cl+NaCOOH"	102.956829
"917493"	462.138086	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M-H+CF3COOH"	112.985586
"1293107"	498.114764	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Cl+CF3COOH"	148.962264
"1373456"	314.139824	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H-2H2O"	-35.012676
"1385485"	332.1498	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H-H2O"	-17.0027
"287358"	699.312276	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+H"	1.007276
"678688"	1048.464776	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+H"	1.007276
"1353942"	350.159776	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H"	1.007276
"134487"	350.159776	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+2H"	2.014552
"577328"	524.736026	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+2H"	2.014552
"1049411"	175.583526	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2H"	2.014552
"218768"	233.775609333333	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+3H"	3.021828
"655778"	350.159776	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+3H"	3.021828
"1175726"	117.391442666667	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+3H"	3.021828
"437904"	716.338823	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+NH4"	18.033823
"797075"	1065.491323	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+NH4"	18.033823
"1686845"	367.186323	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+NH4"	18.033823
"336215"	358.6730495	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+H+NH4"	19.041099
"729733"	533.2492995	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+H+NH4"	19.041099
"1484649"	184.0967995	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H+NH4"	19.041099
"401139"	721.294218	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+Na"	22.989218
"759946"	1070.446718	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+Na"	22.989218
"1605862"	372.141718	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Na"	22.989218
"317357"	361.150747	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+H+Na"	23.996494
"709046"	535.726997	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+H+Na"	23.996494
"1464688"	186.574497	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H+Na"	23.996494
"1054292"	124.718756666667	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2H+Na"	25.00377
"1259250"	382.185986	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+CH3OH+H"	33.033486
"380740"	737.268158	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+K"	38.963158
"740643"	1086.420658	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+K"	38.963158
"1545257"	388.115658	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+K"	38.963158
"299885"	369.137717	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+H+K"	39.970434
"700333"	543.713967	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+H+K"	39.970434
"1451966"	194.561467	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H+K"	39.970434
"241660"	740.338826	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+ACN+H"	42.033826
"1216557"	391.186326	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+ACN+H"	42.033826
"1199345"	196.096801	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+ACN+2H"	43.041102
"204009"	743.27616	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+2Na-H"	44.97116
"636150"	1092.42866	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+2Na-H"	44.97116
"1139656"	394.12366	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2Na-H"	44.97116
"185136"	372.141718	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+2Na"	45.978436
"625425"	546.717968	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+2Na"	45.978436
"1130757"	197.565468	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2Na"	45.978436
"1408446"	132.046070666667	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H+2Na"	46.985712
"1437280"	396.165246	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H+HCOOH"	47.012746
"225883"	377.17474	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+3H2O+2H"	56.04448
"1512852"	410.21729	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+IsoProp+H"	61.06479
"411443"	380.128688	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+Na+K"	61.952376
"773531"	554.704938	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+Na+K"	61.952376
"1670958"	205.552438	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Na+K"	61.952376
"256385"	762.320768	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+ACN+Na"	64.015768
"1229093"	413.168268	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+ACN+Na"	64.015768
"1714700"	413.191793	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+NH4+HCOOH"	64.039293
"1181148"	139.373384666667	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+3Na"	68.967654
"1656507"	418.147188	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Na+HCOOH"	68.994688
"165555"	775.22404	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+2K-H"	76.91904
"600743"	1124.37654	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+2K-H"	76.91904
"1091816"	426.07154	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2K-H"	76.91904
"143166"	388.115658	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"2M+2K"	77.926316
"586007"	562.691908	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"3M+2K"	77.926316
"1070882"	213.539408	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2K"	77.926316
"1103731"	428.086092	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2K+H"	78.933592
"1336587"	428.173707	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+DMSO+H"	79.021207
"1007672"	432.212876	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2ACN+H"	83.060376
"1531142"	433.206508	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+IsoProp+Na+H"	84.054008
"992124"	216.610076	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+2ACN+2H"	84.067652
"1589177"	434.121128	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+K+HCOOH"	84.968628
"1414956"	464.152638	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+H+CF3COOH"	115.000138
"1147678"	237.123351	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+3ACN+2H"	125.094202
"1697590"	481.179185	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+NH4+CF3COOH"	132.026685
"1639811"	486.13458	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+Na+CF3COOH"	136.98208
"1577653"	502.10852	"C10375"	"Riddelline;18-Hydroxyseneciphylline"	"C18H23NO6"	"349.1525"	"M+K+CF3COOH"	152.95602
"816526"	270.0528	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M"	0
"989333"	251.03441	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"76358"	179.027924	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"517015"	269.045524	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"887161"	89.010324	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"5738"	269.045524	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"446391"	404.071924	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"824192"	134.019124	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"84183"	539.098324	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"523743"	809.151124	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"896072"	269.045524	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"47657"	556.124871	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"495487"	826.177671	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"871100"	286.072071	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"40096"	561.080266	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"476375"	831.133066	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"853084"	291.027466	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1626994"	291.027466	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"104621"	287.033863	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"541994"	422.060263	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"929068"	152.007463	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"270785"	575.075002	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"663205"	845.127802	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1276698"	305.022202	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"19618"	577.054206	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"462098"	847.107006	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"837715"	307.001406	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1559016"	307.001406	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"949087"	315.050994	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"368398"	585.103801	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"348999"	599.119451	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1503302"	329.066651	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"961001"	337.032951	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"113192"	305.022202	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"552753"	440.048602	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1023738"	169.995802	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1249879"	348.971685	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1312327"	351.027672	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1333105"	373.009629	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"920883"	383.038386	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1295404"	419.015064	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1374659"	235.040124	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1386689"	253.0501	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"292935"	541.112876	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"683172"	811.165676	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1355146"	271.060076	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"138243"	271.060076	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"580842"	406.086476	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1052316"	136.033676	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"219367"	181.042476	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"659939"	271.060076	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1178393"	91.024876	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"438015"	558.139423	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"801198"	828.192223	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1692423"	288.086623	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"343981"	279.5733495	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"732030"	414.5997495	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1488038"	144.5469495	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"405624"	563.094818	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"765524"	833.147618	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1608159"	293.042018	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"317831"	282.051047	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"714987"	417.077447	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1467713"	147.024647	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1058775"	98.35219	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1262641"	303.086286	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"381217"	579.068758	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"742215"	849.121558	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1546461"	309.015958	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"309108"	290.038017	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"701536"	425.064417	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1457541"	155.011617	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"245049"	582.139426	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1218853"	312.086626	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1201641"	156.546951	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"204038"	585.07676	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"636260"	855.12956	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1141589"	315.02396	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"184517"	293.042018	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"627722"	428.068418	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1131311"	158.015618	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1410742"	105.679504	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1442493"	317.065546	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"228180"	298.07504	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1514055"	331.11759	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"411917"	301.028988	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"775828"	436.055388	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1667788"	166.002588	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"259775"	604.121368	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1229203"	334.068568	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1718090"	334.092093	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1184538"	113.006818	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1656617"	339.047488	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"168945"	617.02464	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"609599"	887.07744	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1093019"	346.97184	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"147649"	309.015958	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"588304"	444.042358	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1076095"	173.989558	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1106026"	348.986392	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1342410"	349.074007	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1012034"	353.113176	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1526878"	354.106808	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"994420"	177.060226	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1588925"	355.021428	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1416770"	385.052938	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1148515"	197.573501	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1697578"	402.079485	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1641014"	407.03488	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1577763"	423.00882	"C10376"	"Morindone;125-Trihydroxy-6-methyl-910-anthracenedione"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"816393"	302.079	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M"	0
"983850"	283.06061	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-H2O-H"	-19.01839
"76468"	200.378724	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M-3H"	-3.021828
"513843"	301.071724	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M-3H"	-3.021828
"886178"	99.685724	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-3H"	-3.021828
"5848"	301.071724	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M-2H"	-2.014552
"445409"	452.111224	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M-2H"	-2.014552
"822116"	150.032224	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-2H"	-2.014552
"81013"	603.150724	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M-H"	-1.007276
"520573"	905.229724	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M-H"	-1.007276
"897281"	301.071724	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-H"	-1.007276
"53844"	620.177271	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M-2H+NH4"	16.019271
"491219"	922.256271	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M-2H+NH4"	16.019271
"865250"	318.098271	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-2H+NH4"	16.019271
"31560"	625.132666	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M-2H+Na"	20.974666
"471862"	927.211666	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M-2H+Na"	20.974666
"848735"	323.053666	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-2H+Na"	20.974666
"1627104"	323.053666	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Na-2H"	20.974666
"103637"	319.060063	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M-H+Cl"	33.962126
"541010"	470.099563	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M-H+Cl"	33.962126
"936711"	168.020563	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-H+Cl"	33.962126
"275269"	639.127402	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+Cl"	34.969402
"661857"	941.206402	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+Cl"	34.969402
"1276080"	337.048402	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Cl"	34.969402
"16812"	641.106606	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M-2H+K"	36.948606
"458926"	943.185606	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M-2H+K"	36.948606
"840013"	339.027606	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-2H+K"	36.948606
"1558033"	339.027606	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+K-2H"	36.948606
"948104"	347.077194	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-H+HCOOH"	44.998194
"364134"	649.156201	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+HCOOH-H"	44.998201
"348016"	663.171851	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+Hac-H"	59.013851
"1503412"	361.092851	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Hac-H"	59.013851
"959289"	369.059151	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-H+NaCOOH"	66.980151
"113303"	337.048402	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+2Cl"	69.938804
"555050"	488.087902	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+2Cl"	69.938804
"1022755"	186.008902	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2Cl"	69.938804
"1249989"	380.997885	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Br"	78.918885
"1311344"	383.053872	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Cl+HCOOH"	80.974872
"1332122"	405.035829	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Cl+NaCOOH"	102.956829
"923180"	415.064586	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M-H+CF3COOH"	112.985586
"1295514"	451.041264	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Cl+CF3COOH"	148.962264
"1372583"	267.066324	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H-2H2O"	-35.012676
"1391172"	285.0763	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H-H2O"	-17.0027
"294139"	605.165276	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+H"	1.007276
"682189"	907.244276	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+H"	1.007276
"1357443"	303.086276	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H"	1.007276
"137623"	303.086276	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+2H"	2.014552
"578277"	454.125776	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+2H"	2.014552
"1051697"	152.046776	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2H"	2.014552
"218871"	202.393276	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+3H"	3.021828
"659405"	303.086276	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+3H"	3.021828
"1176675"	101.700276	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+3H"	3.021828
"437398"	622.191823	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+NH4"	18.033823
"795110"	924.270823	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+NH4"	18.033823
"1689253"	320.112823	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+NH4"	18.033823
"339719"	311.5995495	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+H+NH4"	19.041099
"732141"	462.6390495	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+H+NH4"	19.041099
"1487055"	160.5600495	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H+NH4"	19.041099
"402453"	627.147218	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+Na"	22.989218
"763448"	929.226218	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+Na"	22.989218
"1606079"	325.068218	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Na"	22.989218
"315754"	314.077247	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+H+Na"	23.996494
"710726"	465.116747	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+H+Na"	23.996494
"1464180"	163.037747	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H+Na"	23.996494
"1055970"	109.02759	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2H+Na"	25.00377
"1260565"	335.112486	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+CH3OH+H"	33.033486
"381325"	643.121158	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+K"	38.963158
"742323"	945.200158	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+K"	38.963158
"1544382"	341.042158	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+K"	38.963158
"301564"	322.064217	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+H+K"	39.970434
"702739"	473.103717	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+H+K"	39.970434
"1453279"	171.024717	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H+K"	39.970434
"240787"	646.191826	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+ACN+H"	42.033826
"1216777"	344.112826	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+ACN+H"	42.033826
"1198472"	172.560051	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+ACN+2H"	43.041102
"203982"	649.12916	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+2Na-H"	44.97116
"635277"	951.20816	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+2Na-H"	44.97116
"1140970"	347.05016	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2Na-H"	44.97116
"185720"	325.068218	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+2Na"	45.978436
"627832"	476.107718	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+2Na"	45.978436
"1131322"	174.028718	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2Na"	45.978436
"1410488"	116.354904	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H+2Na"	46.985712
"1442603"	349.091746	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H+HCOOH"	47.012746
"228290"	330.10124	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+3H2O+2H"	56.04448
"1515259"	363.14379	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+IsoProp+H"	61.06479
"410571"	333.055188	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+Na+K"	61.952376
"775938"	484.094688	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+Na+K"	61.952376
"1666805"	182.015688	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Na+K"	61.952376
"259885"	668.173768	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+ACN+Na"	64.015768
"1227125"	366.094768	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+ACN+Na"	64.015768
"1718200"	366.118293	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+NH4+HCOOH"	64.039293
"1182461"	123.682218	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+3Na"	68.967654
"1660007"	371.073688	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Na+HCOOH"	68.994688
"165775"	681.07704	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+2K-H"	76.91904
"608616"	983.15604	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+2K-H"	76.91904
"1097142"	378.99804	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2K-H"	76.91904
"151040"	341.042158	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"2M+2K"	77.926316
"590603"	492.081658	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"3M+2K"	77.926316
"1076206"	190.002658	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2K"	77.926316
"1106136"	381.012592	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2K+H"	78.933592
"1342521"	381.100207	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+DMSO+H"	79.021207
"1014331"	385.139376	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2ACN+H"	83.060376
"1531362"	386.133008	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+IsoProp+Na+H"	84.054008
"996719"	193.073326	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+2ACN+2H"	84.067652
"1593408"	387.047628	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+K+HCOOH"	84.968628
"1419068"	417.079138	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+H+CF3COOH"	115.000138
"1147248"	213.586601	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+3ACN+2H"	125.094202
"1702191"	434.105685	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+NH4+CF3COOH"	132.026685
"1634193"	439.06108	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+Na+CF3COOH"	136.98208
"1577873"	455.03502	"C10377"	"Nanafrocin;(1S3R)-Nanaomycin A"	"C16H14O6"	"302.079"	"M+K+CF3COOH"	152.95602
"816382"	299.1733	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M"	0
"983960"	280.15491	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-H2O-H"	-19.01839
"73298"	198.441590666667	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M-3H"	-3.021828
"511766"	298.166024	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M-3H"	-3.021828
"886288"	98.7171573333333	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-3H"	-3.021828
"5958"	298.166024	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M-2H"	-2.014552
"446612"	447.752674	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M-2H"	-2.014552
"822226"	148.579374	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-2H"	-2.014552
"81123"	597.339324	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M-H"	-1.007276
"520683"	896.512624	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M-H"	-1.007276
"898484"	298.166024	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-H"	-1.007276
"51768"	614.365871	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M-2H+NH4"	16.019271
"490236"	913.539171	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M-2H+NH4"	16.019271
"865239"	315.192571	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-2H+NH4"	16.019271
"31799"	619.321266	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M-2H+Na"	20.974666
"471728"	918.494566	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M-2H+Na"	20.974666
"848724"	320.147966	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-2H+Na"	20.974666
"1627214"	320.147966	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Na-2H"	20.974666
"96451"	316.154363	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M-H+Cl"	33.962126
"544400"	465.741013	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M-H+Cl"	33.962126
"934634"	166.567713	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-H+Cl"	33.962126
"273192"	633.316002	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+Cl"	34.969402
"663062"	932.489302	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+Cl"	34.969402
"1276189"	334.142702	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Cl"	34.969402
"16558"	635.295206	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M-2H+K"	36.948606
"459766"	934.468506	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M-2H+K"	36.948606
"835749"	336.121906	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-2H+K"	36.948606
"1558141"	336.121906	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+K-2H"	36.948606
"944936"	344.171494	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-H+HCOOH"	44.998194
"364609"	643.344801	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+HCOOH-H"	44.998201
"346305"	657.360451	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+Hac-H"	59.013851
"1496960"	358.187151	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Hac-H"	59.013851
"962314"	366.153451	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-H+NaCOOH"	66.980151
"113413"	334.142702	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+2Cl"	69.938804
"551880"	483.729352	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+2Cl"	69.938804
"1028331"	184.556052	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2Cl"	69.938804
"1249733"	378.092185	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Br"	78.918885
"1315827"	380.148172	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Cl+HCOOH"	80.974872
"1332232"	402.130129	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Cl+NaCOOH"	102.956829
"922196"	412.158886	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M-H+CF3COOH"	112.985586
"1297810"	448.135564	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Cl+CF3COOH"	148.962264
"1380346"	264.160624	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H-2H2O"	-35.012676
"1391282"	282.1706	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H-H2O"	-17.0027
"294249"	599.353876	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+H"	1.007276
"685579"	898.527176	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+H"	1.007276
"1360833"	300.180576	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H"	1.007276
"138097"	300.180576	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+2H"	2.014552
"580899"	449.767226	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+2H"	2.014552
"1051565"	150.593926	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2H"	2.014552
"218617"	200.456142666667	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+3H"	3.021828
"659027"	300.180576	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+3H"	3.021828
"1174233"	100.731709333333	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+3H"	3.021828
"438238"	616.380423	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+NH4"	18.033823
"797407"	915.553723	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+NH4"	18.033823
"1689363"	317.207123	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+NH4"	18.033823
"339829"	308.6938495	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+H+NH4"	19.041099
"732251"	458.2804995	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+H+NH4"	19.041099
"1486072"	159.1071995	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H+NH4"	19.041099
"399285"	621.335818	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+Na"	22.989218
"767934"	920.509118	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+Na"	22.989218
"1607648"	322.162518	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Na"	22.989218
"317686"	311.171547	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+H+Na"	23.996494
"711931"	460.758197	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+H+Na"	23.996494
"1466843"	161.584897	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H+Na"	23.996494
"1058996"	108.059023333333	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2H+Na"	25.00377
"1265051"	332.206786	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+CH3OH+H"	33.033486
"379616"	637.309758	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+K"	38.963158
"741342"	936.483058	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+K"	38.963158
"1541084"	338.136458	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+K"	38.963158
"302765"	319.158517	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+H+K"	39.970434
"702849"	468.745167	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+H+K"	39.970434
"1455575"	169.571867	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H+K"	39.970434
"243083"	640.380426	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+ACN+H"	42.033826
"1217980"	341.207126	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+ACN+H"	42.033826
"1202954"	171.107201	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+ACN+2H"	43.041102
"203364"	643.31776	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+2Na-H"	44.97116
"635387"	942.49106	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+2Na-H"	44.97116
"1142173"	344.14446	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2Na-H"	44.97116
"186924"	322.162518	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+2Na"	45.978436
"627701"	471.749168	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+2Na"	45.978436
"1130233"	172.575868	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2Na"	45.978436
"1410962"	115.386337333333	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H+2Na"	46.985712
"1443807"	346.186046	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H+HCOOH"	47.012746
"230586"	327.19554	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+3H2O+2H"	56.04448
"1515369"	360.23809	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+IsoProp+H"	61.06479
"413960"	330.149488	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+Na+K"	61.952376
"780423"	479.736138	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+Na+K"	61.952376
"1670195"	180.562838	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Na+K"	61.952376
"258902"	662.362368	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+ACN+Na"	64.015768
"1229422"	363.189068	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+ACN+Na"	64.015768
"1717217"	363.212593	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+NH4+HCOOH"	64.039293
"1181477"	122.713651333333	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+3Na"	68.967654
"1661211"	368.167988	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Na+HCOOH"	68.994688
"164791"	675.26564	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+2K-H"	76.91904
"606540"	974.43894	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+2K-H"	76.91904
"1093970"	376.09234	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2K-H"	76.91904
"147871"	338.136458	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"2M+2K"	77.926316
"588527"	487.723108	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"3M+2K"	77.926316
"1076316"	188.549808	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2K"	77.926316
"1106246"	378.106892	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2K+H"	78.933592
"1340446"	378.194507	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+DMSO+H"	79.021207
"1014439"	382.233676	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2ACN+H"	83.060376
"1534752"	383.227308	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+IsoProp+Na+H"	84.054008
"994642"	191.620476	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+2ACN+2H"	84.067652
"1595704"	384.141928	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+K+HCOOH"	84.968628
"1424645"	414.173438	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+H+CF3COOH"	115.000138
"1148372"	212.133751	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+3ACN+2H"	125.094202
"1699385"	431.199985	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+NH4+CF3COOH"	132.026685
"1634787"	436.15538	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+Na+CF3COOH"	136.98208
"1577983"	452.12932	"C10378"	"Rinderine;9-()-Trachelanthylheliotridine"	"C15H25NO5"	"299.1733"	"M+K+CF3COOH"	152.95602
"814549"	270.0528	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M"	0
"989773"	251.03441	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"77782"	179.027924	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"516981"	269.045524	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"889680"	89.010324	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"6068"	269.045524	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"447816"	404.071924	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"825618"	134.019124	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"84516"	539.098324	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"527356"	809.151124	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"899689"	269.045524	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"51878"	556.124871	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"492533"	826.177671	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"865834"	286.072071	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"31788"	561.080266	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"475609"	831.133066	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"853779"	291.027466	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1629512"	291.027466	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"99113"	287.033863	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"539042"	422.060263	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"936931"	152.007463	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"277676"	575.075002	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"662444"	845.127802	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1275939"	305.022202	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"18125"	577.054206	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"458417"	847.107006	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"838046"	307.001406	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1563721"	307.001406	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"950513"	315.050994	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"366542"	585.103801	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"351519"	599.119451	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1495977"	329.066651	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"965705"	337.032951	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"111337"	305.022202	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"552354"	440.048602	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1026256"	169.995802	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1250209"	348.971685	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1315938"	351.027672	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1332342"	373.009629	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"925231"	383.038386	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1299016"	419.015064	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1381550"	235.040124	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1392486"	253.0501	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"292173"	541.112876	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"688968"	811.165676	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1366048"	271.060076	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"136020"	271.060076	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"580930"	406.086476	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1050582"	136.033676	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"217390"	181.042476	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"657679"	271.060076	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1174343"	91.024876	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"436526"	558.139423	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"797519"	828.192223	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1689473"	288.086623	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"339939"	279.5733495	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"733454"	414.5997495	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1486182"	144.5469495	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"402674"	563.094818	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"768773"	833.147618	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1607392"	293.042018	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"318524"	282.051047	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"713134"	417.077447	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1468045"	147.024647	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1059105"	98.35219	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1259694"	303.086286	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"381549"	579.068758	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"744732"	849.121558	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1541321"	309.015958	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"300689"	290.038017	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"700409"	425.064417	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1454592"	155.011617	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"243191"	582.139426	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1215900"	312.086626	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1201971"	156.546951	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"202013"	585.07676	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"636590"	855.12956	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1146660"	315.02396	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"187033"	293.042018	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"627325"	428.068418	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1130343"	158.015618	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1412414"	105.679504	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1442824"	317.065546	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"233613"	298.07504	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1518760"	331.11759	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"417351"	301.028988	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"782357"	436.055388	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1670304"	166.002588	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"257918"	604.121368	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1236824"	334.068568	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1719513"	334.092093	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1184868"	113.006818	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1658041"	339.047488	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"167090"	617.02464	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"607381"	887.07744	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1088979"	346.97184	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"149074"	309.015958	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"588635"	444.042358	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1077518"	173.989558	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1107449"	348.986392	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1343835"	349.074007	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1011271"	353.113176	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1532677"	354.106808	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"996940"	177.060226	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1591441"	355.021428	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1416127"	385.052938	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1149575"	197.573501	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1700224"	402.079485	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1640251"	407.03488	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1578093"	423.00882	"C10379"	"Norobtusifolin;2-Hydroxychrysophanol"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"815995"	353.1838	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M"	0
"989874"	334.16541	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-H2O-H"	-19.01839
"77529"	234.448590666667	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M-3H"	-3.021828
"515267"	352.176524	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M-3H"	-3.021828
"889791"	116.720657333333	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-3H"	-3.021828
"10552"	352.176524	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M-2H"	-2.014552
"451206"	528.768424	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M-2H"	-2.014552
"829738"	175.584624	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-2H"	-2.014552
"91188"	705.360324	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M-H"	-1.007276
"531477"	1058.544124	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M-H"	-1.007276
"909642"	352.176524	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-H"	-1.007276
"54175"	722.386871	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M-2H+NH4"	16.019271
"492643"	1075.570671	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M-2H+NH4"	16.019271
"870443"	369.203071	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-2H+NH4"	16.019271
"38344"	727.342266	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M-2H+Na"	20.974666
"480093"	1080.526066	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M-2H+Na"	20.974666
"862999"	374.158466	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-2H+Na"	20.974666
"1630712"	374.158466	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Na-2H"	20.974666
"99952"	370.164863	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M-H+Cl"	33.962126
"544621"	546.756763	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M-H+Cl"	33.962126
"940326"	193.572963	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-H+Cl"	33.962126
"278880"	741.337002	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+Cl"	34.969402
"664742"	1094.520802	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+Cl"	34.969402
"1277145"	388.153202	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Cl"	34.969402
"21884"	743.316206	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M-2H+K"	36.948606
"460354"	1096.500006	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M-2H+K"	36.948606
"838156"	390.132406	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-2H+K"	36.948606
"1564926"	390.132406	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+K-2H"	36.948606
"953903"	398.181994	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-H+HCOOH"	44.998194
"368840"	751.365801	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+HCOOH-H"	44.998201
"357096"	765.381451	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+Hac-H"	59.013851
"1504836"	412.197651	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Hac-H"	59.013851
"964723"	420.163951	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-H+NaCOOH"	66.980151
"114727"	388.153202	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+2Cl"	69.938804
"557567"	564.745102	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+2Cl"	69.938804
"1032927"	211.561302	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2Cl"	69.938804
"1255060"	432.102685	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Br"	78.918885
"1319861"	434.158672	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Cl+HCOOH"	80.974872
"1335053"	456.140629	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Cl+NaCOOH"	102.956829
"925703"	466.169386	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M-H+CF3COOH"	112.985586
"1302045"	502.146064	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Cl+CF3COOH"	148.962264
"1379475"	318.171124	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H-2H2O"	-35.012676
"1396972"	336.1811	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H-H2O"	-17.0027
"298119"	707.374876	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+H"	1.007276
"689079"	1060.558676	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+H"	1.007276
"1365429"	354.191076	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H"	1.007276
"140141"	354.191076	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+2H"	2.014552
"581003"	530.782976	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+2H"	2.014552
"1049599"	177.599176	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2H"	2.014552
"216773"	236.463142666667	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+3H"	3.021828
"657425"	354.191076	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+3H"	3.021828
"1177007"	118.735209333333	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+3H"	3.021828
"436274"	724.401423	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+NH4"	18.033823
"799454"	1077.585223	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+NH4"	18.033823
"1693960"	371.217623	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+NH4"	18.033823
"341512"	362.7043495	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+H+NH4"	19.041099
"734660"	539.2962495	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+H+NH4"	19.041099
"1487387"	186.1124495	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H+NH4"	19.041099
"403878"	729.356818	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+Na"	22.989218
"768885"	1082.540618	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+Na"	22.989218
"1609689"	376.173018	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Na"	22.989218
"318996"	365.182047	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+H+Na"	23.996494
"715427"	541.773947	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+H+Na"	23.996494
"1470345"	188.590147	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H+Na"	23.996494
"1062495"	126.062523333333	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2H+Na"	25.00377
"1266362"	386.217286	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+CH3OH+H"	33.033486
"389311"	745.330758	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+K"	38.963158
"748118"	1098.514558	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+K"	38.963158
"1545804"	392.146958	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+K"	38.963158
"300799"	373.169017	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+H+K"	39.970434
"694314"	549.760917	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+H+K"	39.970434
"1453606"	196.577117	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H+K"	39.970434
"243300"	748.401426	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+ACN+H"	42.033826
"1219289"	395.217626	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+ACN+H"	42.033826
"1203172"	198.112451	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+ACN+2H"	43.041102
"194950"	751.33876	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+2Na-H"	44.97116
"643753"	1104.52256	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+2Na-H"	44.97116
"1146857"	398.15496	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2Na-H"	44.97116
"188245"	376.173018	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+2Na"	45.978436
"628207"	552.764918	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+2Na"	45.978436
"1130903"	199.581118	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2Na"	45.978436
"1413213"	133.389837333333	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H+2Na"	46.985712
"1444027"	400.196546	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H+HCOOH"	47.012746
"235143"	381.20604	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+3H2O+2H"	56.04448
"1518869"	414.24859	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+IsoProp+H"	61.06479
"421835"	384.159988	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+Na+K"	61.952376
"779551"	560.751888	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+Na+K"	61.952376
"1671507"	207.568088	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Na+K"	61.952376
"263496"	770.383368	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+ACN+Na"	64.015768
"1238391"	417.199568	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+ACN+Na"	64.015768
"1720716"	417.223093	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+NH4+HCOOH"	64.039293
"1184978"	140.717151333333	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+3Na"	68.967654
"1657060"	422.178488	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Na+HCOOH"	68.994688
"163922"	783.28664	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+2K-H"	76.91904
"608220"	1136.47044	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+2K-H"	76.91904
"1091276"	430.10284	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2K-H"	76.91904
"144812"	392.146958	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"2M+2K"	77.926316
"587654"	568.738858	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"3M+2K"	77.926316
"1075444"	215.555058	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2K"	77.926316
"1110843"	432.117392	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2K+H"	78.933592
"1343948"	432.205007	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+DMSO+H"	79.021207
"1013568"	436.244176	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2ACN+H"	83.060376
"1536070"	437.237808	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+IsoProp+Na+H"	84.054008
"997049"	218.625726	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+2ACN+2H"	84.067652
"1595924"	438.152428	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+K+HCOOH"	84.968628
"1418303"	468.183938	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+H+CF3COOH"	115.000138
"1151143"	239.139001	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+3ACN+2H"	125.094202
"1700334"	485.210485	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+NH4+CF3COOH"	132.026685
"1640361"	490.16588	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+Na+CF3COOH"	136.98208
"1573822"	506.13982	"C10380"	"Rosmarinine;Senecionan-1116-dione 12-dihydro-212-dihydroxy- (1alpha2alpha)-"	"C18H27NO6"	"353.1838"	"M+K+CF3COOH"	152.95602
"814038"	446.1213	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M"	0
"984290"	427.10291	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-H2O-H"	-19.01839
"76788"	296.406924	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M-3H"	-3.021828
"515377"	445.114024	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M-3H"	-3.021828
"889901"	147.699824	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-3H"	-3.021828
"13942"	445.114024	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M-2H"	-2.014552
"454596"	668.174674	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M-2H"	-2.014552
"830577"	222.053374	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-2H"	-2.014552
"92392"	891.235324	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M-H"	-1.007276
"534019"	1337.356624	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M-H"	-1.007276
"909752"	445.114024	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-H"	-1.007276
"54285"	908.261871	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+NH4"	16.019271
"492753"	1354.383171	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+NH4"	16.019271
"870553"	462.140571	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-2H+NH4"	16.019271
"38454"	913.217266	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+Na"	20.974666
"482390"	1359.338566	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+Na"	20.974666
"864202"	467.095966	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-2H+Na"	20.974666
"1630822"	467.095966	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Na-2H"	20.974666
"100792"	463.102363	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M-H+Cl"	33.962126
"543638"	686.163013	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M-H+Cl"	33.962126
"937155"	240.041713	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-H+Cl"	33.962126
"278992"	927.212002	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+Cl"	34.969402
"664852"	1373.333302	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+Cl"	34.969402
"1274094"	481.090702	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Cl"	34.969402
"21994"	929.191206	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+K"	36.948606
"460463"	1375.312506	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+K"	36.948606
"836079"	483.069906	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-2H+K"	36.948606
"1567223"	483.069906	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+K-2H"	36.948606
"949640"	491.119494	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-H+HCOOH"	44.998194
"371137"	937.240801	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+HCOOH-H"	44.998201
"357206"	951.256451	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+Hac-H"	59.013851
"1498386"	505.135151	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Hac-H"	59.013851
"968113"	513.101451	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-H+NaCOOH"	66.980151
"118117"	481.090702	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+2Cl"	69.938804
"557677"	704.151352	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+2Cl"	69.938804
"1033037"	258.030052	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2Cl"	69.938804
"1254803"	525.040185	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Br"	78.918885
"1319446"	527.096172	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+HCOOH"	80.974872
"1334755"	549.078129	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+NaCOOH"	102.956829
"924719"	559.106886	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M-H+CF3COOH"	112.985586
"1300334"	595.083564	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+CF3COOH"	148.962264
"1382140"	411.108624	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H-2H2O"	-35.012676
"1395987"	429.1186	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H-H2O"	-17.0027
"296769"	893.249876	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+H"	1.007276
"690282"	1339.371176	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+H"	1.007276
"1362257"	447.128576	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H"	1.007276
"140250"	447.128576	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+2H"	2.014552
"579454"	670.189226	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+2H"	2.014552
"1050803"	224.067926	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2H"	2.014552
"215427"	298.421476	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+3H"	3.021828
"657172"	447.128576	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+3H"	3.021828
"1176266"	149.714376	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+3H"	3.021828
"435656"	910.276423	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+NH4"	18.033823
"799564"	1356.397723	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+NH4"	18.033823
"1693341"	464.155123	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+NH4"	18.033823
"342350"	455.6418495	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+H+NH4"	19.041099
"734770"	678.7024995	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+H+NH4"	19.041099
"1487496"	232.5811995	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H+NH4"	19.041099
"402894"	915.231818	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+Na"	22.989218
"766444"	1361.353118	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+Na"	22.989218
"1610894"	469.110518	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Na"	22.989218
"319836"	458.119547	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+H+Na"	23.996494
"717724"	681.180197	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+H+Na"	23.996494
"1466082"	235.058897	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H+Na"	23.996494
"1059324"	157.04169	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2H+Na"	25.00377
"1265377"	479.154786	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+CH3OH+H"	33.033486
"382860"	931.205758	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+K"	38.963158
"743856"	1377.327058	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+K"	38.963158
"1542634"	485.084458	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+K"	38.963158
"300180"	466.106517	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+H+K"	39.970434
"695518"	689.167167	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+H+K"	39.970434
"1447516"	243.045867	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H+K"	39.970434
"240125"	934.276426	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+ACN+H"	42.033826
"1218306"	488.155126	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+H"	42.033826
"1201096"	244.581201	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+2H"	43.041102
"195060"	937.21376	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+2Na-H"	44.97116
"643011"	1383.33506	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+2Na-H"	44.97116
"1146154"	491.09246	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2Na-H"	44.97116
"187743"	469.110518	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+2Na"	45.978436
"628278"	692.171168	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+2Na"	45.978436
"1130078"	246.049868	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2Na"	45.978436
"1413360"	164.369004	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H+2Na"	46.985712
"1445439"	493.134046	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H+HCOOH"	47.012746
"228731"	474.14354	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+3H2O+2H"	56.04448
"1517886"	507.18609	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+H"	61.06479
"418665"	477.097488	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+Na+K"	61.952376
"777474"	700.158138	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+Na+K"	61.952376
"1674900"	254.036838	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Na+K"	61.952376
"261420"	956.258368	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+ACN+Na"	64.015768
"1237408"	510.137068	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+Na"	64.015768
"1723012"	510.160593	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+NH4+HCOOH"	64.039293
"1185088"	171.696318	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+3Na"	68.967654
"1653891"	515.115988	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Na+HCOOH"	68.994688
"161846"	969.16164	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+2K-H"	76.91904
"606508"	1415.28294	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+2K-H"	76.91904
"1089201"	523.04034	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2K-H"	76.91904
"143829"	485.084458	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"2M+2K"	77.926316
"585577"	708.145108	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"3M+2K"	77.926316
"1076647"	262.023808	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2K"	77.926316
"1108766"	525.054892	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2K+H"	78.933592
"1345151"	525.142507	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+DMSO+H"	79.021207
"1015864"	529.181676	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2ACN+H"	83.060376
"1535086"	530.175308	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+Na+H"	84.054008
"999345"	265.094476	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+2ACN+2H"	84.067652
"1596034"	531.089928	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+K+HCOOH"	84.968628
"1418413"	561.121438	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+H+CF3COOH"	115.000138
"1151982"	285.607751	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+3ACN+2H"	125.094202
"1699351"	578.147985	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+NH4+CF3COOH"	132.026685
"1639378"	583.10338	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+Na+CF3COOH"	136.98208
"1573568"	599.07732	"C10381"	"Obtusifolin 2-glucoside"	"C22H22O10"	"446.1213"	"M+K+CF3COOH"	152.95602
"816217"	608.1741	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M"	0
"989026"	589.15571	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-H2O-H"	-19.01839
"75926"	404.442124	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M-3H"	-3.021828
"518121"	607.166824	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M-3H"	-3.021828
"894143"	201.717424	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-3H"	-3.021828
"13689"	607.166824	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M-2H"	-2.014552
"455077"	911.253874	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M-2H"	-2.014552
"831053"	303.079774	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-2H"	-2.014552
"94170"	1215.340924	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M-H"	-1.007276
"533522"	1823.515024	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M-H"	-1.007276
"909622"	607.166824	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-H"	-1.007276
"61080"	1232.367471	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M-2H+NH4"	16.019271
"496145"	1840.541571	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M-2H+NH4"	16.019271
"877107"	624.193371	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-2H+NH4"	16.019271
"38568"	1237.322866	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M-2H+Na"	20.974666
"486759"	1845.496966	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M-2H+Na"	20.974666
"860304"	629.148766	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-2H+Na"	20.974666
"1624372"	629.148766	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Na-2H"	20.974666
"96526"	625.155163	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M-H+Cl"	33.962126
"538280"	929.242213	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M-H+Cl"	33.962126
"928879"	321.068113	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-H+Cl"	33.962126
"269260"	1251.317602	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+Cl"	34.969402
"662775"	1859.491702	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+Cl"	34.969402
"1276273"	643.143502	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Cl"	34.969402
"19917"	1253.296806	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M-2H+K"	36.948606
"462759"	1861.470906	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M-2H+K"	36.948606
"838378"	645.122706	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-2H+K"	36.948606
"1568426"	645.122706	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+K-2H"	36.948606
"949750"	653.172294	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-H+HCOOH"	44.998194
"374527"	1261.346401	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+HCOOH-H"	44.998201
"360233"	1275.362051	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+Hac-H"	59.013851
"1502872"	667.187951	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Hac-H"	59.013851
"968224"	675.154251	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-H+NaCOOH"	66.980151
"113855"	643.143502	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+2Cl"	69.938804
"555601"	947.230552	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+2Cl"	69.938804
"1027681"	339.056452	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2Cl"	69.938804
"1250541"	687.092985	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Br"	78.918885
"1318459"	689.148972	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Cl+HCOOH"	80.974872
"1334376"	711.130929	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Cl+NaCOOH"	102.956829
"923736"	721.159686	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M-H+CF3COOH"	112.985586
"1303359"	757.136364	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Cl+CF3COOH"	148.962264
"1377508"	573.161424	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H-2H2O"	-35.012676
"1392819"	591.1714	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H-H2O"	-17.0027
"291412"	1217.355476	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+H"	1.007276
"686021"	1825.529576	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+H"	1.007276
"1364557"	609.181376	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H"	1.007276
"140121"	609.181376	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+2H"	2.014552
"572634"	913.268426	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+2H"	2.014552
"1050790"	305.094326	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2H"	2.014552
"218084"	406.456676	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+3H"	3.021828
"656550"	609.181376	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+3H"	3.021828
"1171396"	203.731976	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+3H"	3.021828
"436857"	1234.382023	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+NH4"	18.033823
"798218"	1842.556123	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+NH4"	18.033823
"1691993"	626.207923	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+NH4"	18.033823
"339179"	617.6946495	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+H+NH4"	19.041099
"731601"	921.7816995	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+H+NH4"	19.041099
"1485421"	313.6075995	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H+NH4"	19.041099
"402643"	1239.337418	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+Na"	22.989218
"765093"	1847.511518	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+Na"	22.989218
"1609909"	631.163318	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Na"	22.989218
"316664"	620.172347	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+H+Na"	23.996494
"717834"	924.259397	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+H+Na"	23.996494
"1467285"	316.085297	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H+Na"	23.996494
"1057250"	211.05929	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2H+Na"	25.00377
"1264393"	641.207586	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+CH3OH+H"	33.033486
"380782"	1255.311358	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+K"	38.963158
"743966"	1863.485458	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+K"	38.963158
"1548210"	647.137258	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+K"	38.963158
"299926"	628.159317	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+H+K"	39.970434
"692709"	932.246367	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+H+K"	39.970434
"1448356"	324.072267	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H+K"	39.970434
"239143"	1258.382026	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+ACN+H"	42.033826
"1216228"	650.207926	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+ACN+H"	42.033826
"1201206"	325.607601	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+ACN+2H"	43.041102
"195171"	1261.31936	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+2Na-H"	44.97116
"643121"	1869.49346	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+2Na-H"	44.97116
"1145414"	653.14526	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2Na-H"	44.97116
"187004"	631.163318	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+2Na"	45.978436
"627905"	935.250368	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+2Na"	45.978436
"1128974"	327.076268	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2Na"	45.978436
"1411050"	218.386604	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H+2Na"	46.985712
"1444137"	655.186846	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H+HCOOH"	47.012746
"231027"	636.19634	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+3H2O+2H"	56.04448
"1522858"	669.23889	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+IsoProp+H"	61.06479
"419869"	639.150288	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+Na+K"	61.952376
"778679"	943.237338	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+Na+K"	61.952376
"1676105"	335.063238	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Na+K"	61.952376
"261531"	1280.363968	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+ACN+Na"	64.015768
"1235333"	672.189868	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+ACN+Na"	64.015768
"1722031"	672.213393	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+NH4+HCOOH"	64.039293
"1188114"	225.713918	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+3Na"	68.967654
"1657280"	677.168788	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Na+HCOOH"	68.994688
"161954"	1293.26724	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+2K-H"	76.91904
"601516"	1901.44134	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+2K-H"	76.91904
"1092588"	685.09314	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2K-H"	76.91904
"147220"	647.137258	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"2M+2K"	77.926316
"585688"	951.224308	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"3M+2K"	77.926316
"1076760"	343.050208	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2K"	77.926316
"1104501"	687.107692	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2K+H"	78.933592
"1343075"	687.195307	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+DMSO+H"	79.021207
"1014882"	691.234476	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2ACN+H"	83.060376
"1531916"	692.228108	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+IsoProp+Na+H"	84.054008
"998365"	346.120876	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+2ACN+2H"	84.067652
"1592863"	693.142728	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+K+HCOOH"	84.968628
"1418522"	723.174238	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+H+CF3COOH"	115.000138
"1150999"	366.634151	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+3ACN+2H"	125.094202
"1701647"	740.200785	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+NH4+CF3COOH"	132.026685
"1640581"	745.15618	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+Na+CF3COOH"	136.98208
"1578423"	761.13012	"C10382"	"Physcion 8-gentiobioside;Physcion diglucoside;Physcion 8-O-beta-D-gentiobioside"	"C28H32O15"	"608.1741"	"M+K+CF3COOH"	152.95602
"815351"	337.1889	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M"	0
"987792"	318.17051	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-H2O-H"	-19.01839
"76036"	223.785324	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M-3H"	-3.021828
"517783"	336.181624	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M-3H"	-3.021828
"892310"	111.389024	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-3H"	-3.021828
"13801"	336.181624	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M-2H"	-2.014552
"453723"	504.776074	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M-2H"	-2.014552
"831040"	167.587174	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-2H"	-2.014552
"92129"	673.370524	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M-H"	-1.007276
"531932"	1010.559424	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M-H"	-1.007276
"908758"	336.181624	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-H"	-1.007276
"59974"	690.397071	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M-2H+NH4"	16.019271
"492974"	1027.585971	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M-2H+NH4"	16.019271
"870776"	353.208171	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-2H+NH4"	16.019271
"38678"	695.352466	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M-2H+Na"	20.974666
"482613"	1032.541366	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M-2H+Na"	20.974666
"857134"	358.163566	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-2H+Na"	20.974666
"1624482"	358.163566	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Na-2H"	20.974666
"98094"	354.169963	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M-H+Cl"	33.962126
"538390"	522.764413	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M-H+Cl"	33.962126
"935185"	185.575513	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-H+Cl"	33.962126
"268640"	709.347202	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+Cl"	34.969402
"660374"	1046.536102	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+Cl"	34.969402
"1273463"	372.158302	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Cl"	34.969402
"20035"	711.326406	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M-2H+K"	36.948606
"461777"	1048.515306	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M-2H+K"	36.948606
"835207"	374.137506	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-2H+K"	36.948606
"1568172"	374.137506	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+K-2H"	36.948606
"949860"	382.187094	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-H+HCOOH"	44.998194
"370263"	719.376001	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+HCOOH-H"	44.998201
"358521"	733.391651	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+Hac-H"	59.013851
"1504075"	396.202751	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Hac-H"	59.013851
"968334"	404.169051	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-H+NaCOOH"	66.980151
"111411"	372.158302	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+2Cl"	69.938804
"551699"	540.752752	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+2Cl"	69.938804
"1022809"	203.563852	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2Cl"	69.938804
"1248464"	416.107785	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Br"	78.918885
"1318203"	418.163772	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Cl+HCOOH"	80.974872
"1334853"	440.145729	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Cl+NaCOOH"	102.956829
"923845"	450.174486	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M-H+CF3COOH"	112.985586
"1302373"	486.151164	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Cl+CF3COOH"	148.962264
"1380899"	302.176224	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H-2H2O"	-35.012676
"1392928"	320.1862	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H-H2O"	-17.0027
"291522"	675.385076	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+H"	1.007276
"686129"	1012.573976	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+H"	1.007276
"1360291"	338.196176	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H"	1.007276
"137556"	338.196176	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+2H"	2.014552
"578210"	506.790626	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+2H"	2.014552
"1052114"	169.601726	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2H"	2.014552
"217829"	225.799876	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+3H"	3.021828
"657029"	338.196176	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+3H"	3.021828
"1173693"	113.403576	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+3H"	3.021828
"439033"	692.411623	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+NH4"	18.033823
"799788"	1029.600523	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+NH4"	18.033823
"1694290"	355.222723	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+NH4"	18.033823
"340383"	346.7094495	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+H+NH4"	19.041099
"732804"	515.3038995	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+H+NH4"	19.041099
"1485532"	178.1149995	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H+NH4"	19.041099
"402023"	697.367018	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+Na"	22.989218
"764110"	1034.555918	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+Na"	22.989218
"1610019"	360.178118	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Na"	22.989218
"314953"	349.187147	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+H+Na"	23.996494
"717944"	517.781597	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+H+Na"	23.996494
"1466664"	180.592697	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H+Na"	23.996494
"1058452"	120.73089	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2H+Na"	25.00377
"1263410"	370.222386	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+CH3OH+H"	33.033486
"381989"	713.340958	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+K"	38.963158
"744078"	1050.529858	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+K"	38.963158
"1548320"	376.152058	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+K"	38.963158
"303310"	357.174117	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+H+K"	39.970434
"691480"	525.768567	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+H+K"	39.970434
"1448466"	188.579667	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H+K"	39.970434
"241439"	716.411626	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+ACN+H"	42.033826
"1214152"	379.222726	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+ACN+H"	42.033826
"1201316"	190.115001	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+ACN+2H"	43.041102
"195281"	719.34896	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+2Na-H"	44.97116
"642503"	1056.53786	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+2Na-H"	44.97116
"1145767"	382.16006	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2Na-H"	44.97116
"187356"	360.178118	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+2Na"	45.978436
"627162"	528.772568	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+2Na"	45.978436
"1129935"	191.583668	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2Na"	45.978436
"1413343"	128.058204	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H+2Na"	46.985712
"1443263"	384.201646	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H+HCOOH"	47.012746
"235028"	365.21114	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+3H2O+2H"	56.04448
"1523941"	398.25369	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+IsoProp+H"	61.06479
"421071"	368.165088	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+Na+K"	61.952376
"784134"	536.759538	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+Na+K"	61.952376
"1671840"	199.570638	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Na+K"	61.952376
"261641"	738.393568	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+ACN+Na"	64.015768
"1234350"	401.204668	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+ACN+Na"	64.015768
"1719956"	401.228193	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+NH4+HCOOH"	64.039293
"1186403"	135.385518	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+3Na"	68.967654
"1656296"	406.183588	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Na+HCOOH"	68.994688
"164249"	751.29684	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+2K-H"	76.91904
"601626"	1088.48574	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+2K-H"	76.91904
"1090510"	414.10794	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2K-H"	76.91904
"148423"	376.152058	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"2M+2K"	77.926316
"586891"	544.746508	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"3M+2K"	77.926316
"1074683"	207.557608	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2K"	77.926316
"1104612"	416.122492	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2K+H"	78.933592
"1343913"	416.210107	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+DMSO+H"	79.021207
"1014628"	420.249276	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2ACN+H"	83.060376
"1533118"	421.242908	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+IsoProp+Na+H"	84.054008
"995195"	210.628276	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+2ACN+2H"	84.067652
"1589693"	422.157528	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+K+HCOOH"	84.968628
"1417540"	452.189038	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+H+CF3COOH"	115.000138
"1151109"	231.141551	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+3ACN+2H"	125.094202
"1701757"	469.215585	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+NH4+CF3COOH"	132.026685
"1640691"	474.17098	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+Na+CF3COOH"	136.98208
"1578533"	490.14492	"C10383"	"Sarracine;7-Angelyl-9-sarracinylplatynecine"	"C18H27NO5"	"337.1889"	"M+K+CF3COOH"	152.95602
"815461"	446.1213	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M"	0
"985713"	427.10291	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-H2O-H"	-19.01839
"75052"	296.406924	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M-3H"	-3.021828
"517529"	445.114024	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M-3H"	-3.021828
"893512"	147.699824	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-3H"	-3.021828
"12088"	445.114024	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M-2H"	-2.014552
"453591"	668.174674	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M-2H"	-2.014552
"829448"	222.053374	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-2H"	-2.014552
"90536"	891.235324	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M-H"	-1.007276
"532162"	1337.356624	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M-H"	-1.007276
"908626"	445.114024	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-H"	-1.007276
"52429"	908.261871	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M-2H+NH4"	16.019271
"489803"	1354.383171	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M-2H+NH4"	16.019271
"865659"	462.140571	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-2H+NH4"	16.019271
"33561"	913.217266	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M-2H+Na"	20.974666
"476160"	1359.338566	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M-2H+Na"	20.974666
"853963"	467.095966	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-2H+Na"	20.974666
"1624956"	467.095966	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Na-2H"	20.974666
"98933"	463.102363	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M-H+Cl"	33.962126
"538500"	686.163013	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M-H+Cl"	33.962126
"935295"	240.041713	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-H+Cl"	33.962126
"268387"	927.212002	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+Cl"	34.969402
"660199"	1373.333302	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+Cl"	34.969402
"1275031"	481.090702	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Cl"	34.969402
"20145"	929.191206	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M-2H+K"	36.948606
"460793"	1375.312506	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M-2H+K"	36.948606
"837503"	483.069906	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-2H+K"	36.948606
"1567189"	483.069906	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+K-2H"	36.948606
"947783"	491.119494	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-H+HCOOH"	44.998194
"368187"	937.240801	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+HCOOH-H"	44.998201
"355351"	951.256451	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+Hac-H"	59.013851
"1504185"	505.135151	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Hac-H"	59.013851
"965164"	513.101451	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-H+NaCOOH"	66.980151
"111522"	481.090702	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+2Cl"	69.938804
"554724"	704.151352	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+2Cl"	69.938804
"1023890"	258.030052	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2Cl"	69.938804
"1245294"	525.040185	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Br"	78.918885
"1316490"	527.096172	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Cl+HCOOH"	80.974872
"1329614"	549.078129	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Cl+NaCOOH"	102.956829
"926142"	559.106886	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M-H+CF3COOH"	112.985586
"1303576"	595.083564	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Cl+CF3COOH"	148.962264
"1376634"	411.108624	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H-2H2O"	-35.012676
"1391945"	429.1186	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H-H2O"	-17.0027
"290539"	893.249876	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+H"	1.007276
"684053"	1339.371176	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+H"	1.007276
"1360402"	447.128576	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H"	1.007276
"134385"	447.128576	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+2H"	2.014552
"569936"	670.189226	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+2H"	2.014552
"1047120"	224.067926	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2H"	2.014552
"216115"	298.421476	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+3H"	3.021828
"657864"	447.128576	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+3H"	3.021828
"1177330"	149.714376	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+3H"	3.021828
"438535"	910.276423	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+NH4"	18.033823
"800135"	1356.397723	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+NH4"	18.033823
"1694399"	464.155123	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+NH4"	18.033823
"343774"	455.6418495	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+H+NH4"	19.041099
"735100"	678.7024995	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+H+NH4"	19.041099
"1488920"	232.5811995	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H+NH4"	19.041099
"403226"	915.231818	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+Na"	22.989218
"762034"	1361.353118	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+Na"	22.989218
"1610129"	469.110518	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Na"	22.989218
"316885"	458.119547	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+H+Na"	23.996494
"716962"	681.180197	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+H+Na"	23.996494
"1467503"	235.058897	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H+Na"	23.996494
"1058562"	157.04169	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2H+Na"	25.00377
"1262427"	479.154786	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+CH3OH+H"	33.033486
"382099"	931.205758	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+K"	38.963158
"745281"	1377.327058	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+K"	38.963158
"1545150"	485.084458	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+K"	38.963158
"304513"	466.106517	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+H+K"	39.970434
"692563"	689.167167	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+H+K"	39.970434
"1447845"	243.045867	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H+K"	39.970434
"239363"	934.276426	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+ACN+H"	42.033826
"1214257"	488.155126	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+ACN+H"	42.033826
"1200333"	244.581201	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+ACN+2H"	43.041102
"195391"	937.21376	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+2Na-H"	44.97116
"639328"	1383.33506	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+2Na-H"	44.97116
"1145632"	491.09246	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2Na-H"	44.97116
"187466"	469.110518	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+2Na"	45.978436
"627513"	692.171168	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+2Na"	45.978436
"1130045"	246.049868	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2Na"	45.978436
"1413209"	164.369004	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H+2Na"	46.985712
"1443373"	493.134046	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H+HCOOH"	47.012746
"235016"	474.14354	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+3H2O+2H"	56.04448
"1523076"	507.18609	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+H"	61.06479
"421181"	477.097488	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+Na+K"	61.952376
"784244"	700.158138	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+Na+K"	61.952376
"1671950"	254.036838	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Na+K"	61.952376
"261751"	956.258368	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+ACN+Na"	64.015768
"1233367"	510.137068	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+ACN+Na"	64.015768
"1718972"	510.160593	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+NH4+HCOOH"	64.039293
"1187606"	171.696318	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+3Na"	68.967654
"1656406"	515.115988	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Na+HCOOH"	68.994688
"165452"	969.16164	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+2K-H"	76.91904
"601006"	1415.28294	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+2K-H"	76.91904
"1091712"	523.04034	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2K-H"	76.91904
"149627"	485.084458	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"2M+2K"	77.926316
"588092"	708.145108	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"3M+2K"	77.926316
"1073698"	262.023808	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2K"	77.926316
"1105814"	525.054892	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2K+H"	78.933592
"1343293"	525.142507	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+DMSO+H"	79.021207
"1015102"	529.181676	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2ACN+H"	83.060376
"1534320"	530.175308	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+Na+H"	84.054008
"1000769"	265.094476	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+2ACN+2H"	84.067652
"1593084"	531.089928	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+K+HCOOH"	84.968628
"1415462"	561.121438	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+H+CF3COOH"	115.000138
"1149031"	285.607751	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+3ACN+2H"	125.094202
"1700774"	578.147985	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+NH4+CF3COOH"	132.026685
"1640801"	583.10338	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+Na+CF3COOH"	136.98208
"1578643"	599.07732	"C10384"	"Physcion 8-glucoside;Physcion 8-O-beta-D-monoglucoside"	"C22H22O10"	"446.1213"	"M+K+CF3COOH"	152.95602
"815207"	748.6158	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M"	0
"985823"	729.59741	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-H2O-H"	-19.01839
"77349"	498.069924	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M-3H"	-3.021828
"517640"	747.608524	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M-3H"	-3.021828
"893623"	248.531324	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-3H"	-3.021828
"13900"	747.608524	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M-2H"	-2.014552
"451757"	1121.916424	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M-2H"	-2.014552
"828465"	373.300624	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-2H"	-2.014552
"90646"	1496.224324	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M-H"	-1.007276
"531300"	2244.840124	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M-H"	-1.007276
"909708"	747.608524	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-H"	-1.007276
"55819"	1513.250871	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M-2H+NH4"	16.019271
"489913"	2261.866671	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M-2H+NH4"	16.019271
"865767"	764.635071	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-2H+NH4"	16.019271
"32210"	1518.206266	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M-2H+Na"	20.974666
"473353"	2266.822066	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M-2H+Na"	20.974666
"849090"	769.590466	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-2H+Na"	20.974666
"1622879"	769.590466	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Na-2H"	20.974666
"99407"	765.596863	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M-H+Cl"	33.962126
"539705"	1139.904763	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M-H+Cl"	33.962126
"931032"	391.288963	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-H+Cl"	33.962126
"270319"	1532.201002	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+Cl"	34.969402
"662742"	2280.816802	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+Cl"	34.969402
"1275874"	783.585202	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Cl"	34.969402
"25723"	1534.180206	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M-2H+K"	36.948606
"459811"	2282.796006	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M-2H+K"	36.948606
"838706"	785.564406	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-2H+K"	36.948606
"1569486"	785.564406	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+K-2H"	36.948606
"947165"	793.613994	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-H+HCOOH"	44.998194
"367568"	1542.229801	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+HCOOH-H"	44.998201
"353274"	1556.245451	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+Hac-H"	59.013851
"1498462"	807.629651	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Hac-H"	59.013851
"965273"	815.595951	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-H+NaCOOH"	66.980151
"113089"	783.585202	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+2Cl"	69.938804
"553377"	1157.893102	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+2Cl"	69.938804
"1025820"	409.277302	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2Cl"	69.938804
"1243581"	827.534685	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Br"	78.918885
"1308217"	829.590672	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Cl+HCOOH"	80.974872
"1333005"	851.572629	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Cl+NaCOOH"	102.956829
"923703"	861.601386	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M-H+CF3COOH"	112.985586
"1300771"	897.578064	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Cl+CF3COOH"	148.962264
"1378567"	713.603124	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H-2H2O"	-35.012676
"1387681"	731.6131	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H-H2O"	-17.0027
"290649"	1498.238876	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+H"	1.007276
"681247"	2246.854676	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+H"	1.007276
"1357231"	749.623076	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H"	1.007276
"132309"	749.623076	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+2H"	2.014552
"575149"	1123.930976	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+2H"	2.014552
"1045043"	375.315176	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2H"	2.014552
"214038"	500.084476	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+3H"	3.021828
"652508"	749.623076	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+3H"	3.021828
"1168810"	250.545876	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+3H"	3.021828
"435000"	1515.265423	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+NH4"	18.033823
"795993"	2263.881223	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+NH4"	18.033823
"1692321"	766.649623	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+NH4"	18.033823
"341697"	758.1363495	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+H+NH4"	19.041099
"734848"	1132.4442495	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+H+NH4"	19.041099
"1484657"	383.8284495	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H+NH4"	19.041099
"398960"	1520.220818	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+Na"	22.989218
"761047"	2268.836618	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+Na"	22.989218
"1608053"	771.605018	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Na"	22.989218
"319183"	760.614047	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+H+Na"	23.996494
"715977"	1134.921947	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+H+Na"	23.996494
"1465426"	386.306147	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H+Na"	23.996494
"1056487"	257.87319	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2H+Na"	25.00377
"1260351"	781.649286	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+CH3OH+H"	33.033486
"381114"	1536.194758	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+K"	38.963158
"744297"	2284.810558	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+K"	38.963158
"1544165"	787.578958	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+K"	38.963158
"303526"	768.601017	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+H+K"	39.970434
"693040"	1142.908917	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+H+K"	39.970434
"1446861"	394.293117	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H+K"	39.970434
"236917"	1539.265426	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+ACN+H"	42.033826
"1213274"	790.649626	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+ACN+H"	42.033826
"1198256"	395.828451	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+ACN+2H"	43.041102
"193312"	1542.20276	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+2Na-H"	44.97116
"639438"	2290.81856	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+2Na-H"	44.97116
"1146476"	793.58696	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2Na-H"	44.97116
"188063"	771.605018	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+2Na"	45.978436
"627988"	1145.912918	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+2Na"	45.978436
"1130518"	397.297118	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2Na"	45.978436
"1413683"	265.200504	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H+2Na"	46.985712
"1443483"	795.628546	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H+HCOOH"	47.012746
"235005"	776.63804	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+3H2O+2H"	56.04448
"1520511"	809.68059	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+IsoProp+H"	61.06479
"422384"	779.591988	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+Na+K"	61.952376
"782288"	1153.899888	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+Na+K"	61.952376
"1677528"	405.284088	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Na+K"	61.952376
"261860"	1561.247368	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+ACN+Na"	64.015768
"1234571"	812.631568	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+ACN+Na"	64.015768
"1719083"	812.655093	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+NH4+HCOOH"	64.039293
"1186623"	272.527818	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+3Na"	68.967654
"1655422"	817.610488	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Na+HCOOH"	68.994688
"161189"	1574.15064	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+2K-H"	76.91904
"600751"	2322.76644	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+2K-H"	76.91904
"1090729"	825.53484	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2K-H"	76.91904
"149736"	787.578958	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"2M+2K"	77.926316
"586016"	1161.886858	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"3M+2K"	77.926316
"1073808"	413.271058	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2K"	77.926316
"1105924"	827.549392	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2K+H"	78.933592
"1343403"	827.637007	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+DMSO+H"	79.021207
"1014119"	831.676176	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2ACN+H"	83.060376
"1532244"	832.669808	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+IsoProp+Na+H"	84.054008
"998693"	416.341726	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+2ACN+2H"	84.067652
"1593194"	833.584428	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+K+HCOOH"	84.968628
"1415572"	863.615938	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+H+CF3COOH"	115.000138
"1149141"	436.855001	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+3ACN+2H"	125.094202
"1700884"	880.642485	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+NH4+CF3COOH"	132.026685
"1644191"	885.59788	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+Na+CF3COOH"	136.98208
"1578753"	901.57182	"C10385"	"Plastoquinone-9;Plastoquinone A"	"C53H80O2"	"748.6158"	"M+K+CF3COOH"	152.95602
"815681"	389.1475	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M"	0
"985933"	370.12911	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-H2O-H"	-19.01839
"77460"	258.424390666667	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M-3H"	-3.021828
"517385"	388.140224	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M-3H"	-3.021828
"893729"	128.708557333333	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-3H"	-3.021828
"14129"	388.140224	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M-2H"	-2.014552
"454053"	582.713974	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M-2H"	-2.014552
"826388"	193.566474	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-2H"	-2.014552
"92942"	777.287724	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M-H"	-1.007276
"532626"	1166.435224	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M-H"	-1.007276
"909938"	388.140224	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-H"	-1.007276
"55929"	794.314271	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M-2H+NH4"	16.019271
"493303"	1183.461771	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M-2H+NH4"	16.019271
"865759"	405.166771	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-2H+NH4"	16.019271
"32808"	799.269666	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M-2H+Na"	20.974666
"476380"	1188.417166	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M-2H+Na"	20.974666
"854183"	410.122166	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-2H+Na"	20.974666
"1628092"	410.122166	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Na-2H"	20.974666
"104620"	406.128563	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M-H+Cl"	33.962126
"543094"	600.702313	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M-H+Cl"	33.962126
"936609"	211.554813	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-H+Cl"	33.962126
"276261"	813.264402	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+Cl"	34.969402
"663216"	1202.411902	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+Cl"	34.969402
"1275619"	424.116902	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Cl"	34.969402
"25833"	815.243606	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M-2H+K"	36.948606
"461018"	1204.391106	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M-2H+K"	36.948606
"842098"	426.096106	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-2H+K"	36.948606
"1566679"	426.096106	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+K-2H"	36.948606
"950192"	434.145694	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-H+HCOOH"	44.998194
"367314"	823.293201	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+HCOOH-H"	44.998201
"355570"	837.308851	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+Hac-H"	59.013851
"1501124"	448.161351	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Hac-H"	59.013851
"964654"	456.127651	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-H+NaCOOH"	66.980151
"118668"	424.116902	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+2Cl"	69.938804
"557136"	618.690652	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+2Cl"	69.938804
"1032497"	229.543152	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2Cl"	69.938804
"1253171"	468.066385	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Br"	78.918885
"1312335"	470.122372	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Cl+HCOOH"	80.974872
"1330927"	492.104329	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Cl+NaCOOH"	102.956829
"923080"	502.133086	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M-H+CF3COOH"	112.985586
"1303797"	538.109764	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Cl+CF3COOH"	148.962264
"1380135"	354.134824	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H-2H2O"	-35.012676
"1392164"	372.1448	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H-H2O"	-17.0027
"290758"	779.302276	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+H"	1.007276
"682085"	1168.449776	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+H"	1.007276
"1362811"	390.154776	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H"	1.007276
"141396"	390.154776	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+2H"	2.014552
"578539"	584.728526	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+2H"	2.014552
"1052445"	195.581026	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2H"	2.014552
"217430"	260.438942666667	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+3H"	3.021828
"654806"	390.154776	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+3H"	3.021828
"1171838"	130.723109333333	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+3H"	3.021828
"436203"	796.328823	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+NH4"	18.033823
"798289"	1185.476323	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+NH4"	18.033823
"1694618"	407.181323	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+NH4"	18.033823
"343630"	398.6680495	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+H+NH4"	19.041099
"737834"	593.2417995	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+H+NH4"	19.041099
"1490965"	204.0942995	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H+NH4"	19.041099
"401257"	801.284218	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+Na"	22.989218
"761158"	1190.431718	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+Na"	22.989218
"1612539"	412.136718	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Na"	22.989218
"323668"	401.145747	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+H+Na"	23.996494
"714995"	595.719497	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+H+Na"	23.996494
"1465535"	206.571997	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H+Na"	23.996494
"1058781"	138.050423333333	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2H+Na"	25.00377
"1261555"	422.180986	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+CH3OH+H"	33.033486
"381226"	817.258158	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+K"	38.963158
"744410"	1206.405658	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+K"	38.963158
"1545370"	428.110658	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+K"	38.963158
"300723"	409.132717	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+H+K"	39.970434
"700437"	603.706467	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+H+K"	39.970434
"1448064"	214.558967	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H+K"	39.970434
"238486"	820.328826	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+ACN+H"	42.033826
"1212655"	431.181326	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+ACN+H"	42.033826
"1197637"	216.094301	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+ACN+2H"	43.041102
"193422"	823.26616	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+2Na-H"	44.97116
"638453"	1212.41366	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+2Na-H"	44.97116
"1143053"	434.11866	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2Na-H"	44.97116
"185251"	412.136718	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+2Na"	45.978436
"628092"	606.710468	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+2Na"	45.978436
"1131284"	217.562968	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2Na"	45.978436
"1411841"	145.377737333333	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H+2Na"	46.985712
"1440677"	436.160246	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H+HCOOH"	47.012746
"234624"	417.16974	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+3H2O+2H"	56.04448
"1524150"	450.21229	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+IsoProp+H"	61.06479
"423999"	420.123688	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+Na+K"	61.952376
"785561"	614.697438	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+Na+K"	61.952376
"1671439"	225.549938	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Na+K"	61.952376
"260877"	842.310768	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+ACN+Na"	64.015768
"1230308"	453.163268	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+ACN+Na"	64.015768
"1719191"	453.186793	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+NH4+HCOOH"	64.039293
"1183454"	152.705051333333	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+3Na"	68.967654
"1655531"	458.142188	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Na+HCOOH"	68.994688
"163485"	855.21404	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+2K-H"	76.91904
"603044"	1244.36154	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+2K-H"	76.91904
"1093027"	466.06654	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2K-H"	76.91904
"147658"	428.110658	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"2M+2K"	77.926316
"588314"	622.684408	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"3M+2K"	77.926316
"1076106"	233.536908	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2K"	77.926316
"1107126"	468.081092	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2K+H"	78.933592
"1340230"	468.168707	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+DMSO+H"	79.021207
"1013139"	472.207876	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2ACN+H"	83.060376
"1533449"	473.201508	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+IsoProp+Na+H"	84.054008
"1000990"	236.607576	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+2ACN+2H"	84.067652
"1597677"	474.116128	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+K+HCOOH"	84.968628
"1420056"	504.147638	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+H+CF3COOH"	115.000138
"1152532"	257.120851	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+3ACN+2H"	125.094202
"1699897"	521.174185	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+NH4+CF3COOH"	132.026685
"1643208"	526.12958	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+Na+CF3COOH"	136.98208
"1578863"	542.10352	"C10386"	"Senaetnine"	"C20H23NO7"	"389.1475"	"M+K+CF3COOH"	152.95602
"801383"	188.0473	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M"	0
"984950"	169.02891	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-H2O-H"	-19.01839
"72102"	124.357590666667	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M-3H"	-3.021828
"509476"	187.040024	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M-3H"	-3.021828
"882905"	61.6751573333333	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-3H"	-3.021828
"3667"	187.040024	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M-2H"	-2.014552
"444321"	281.063674	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M-2H"	-2.014552
"819936"	93.016374	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-2H"	-2.014552
"84300"	375.087324	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M-H"	-1.007276
"527141"	563.134624	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M-H"	-1.007276
"904941"	187.040024	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-H"	-1.007276
"48379"	392.113871	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M-2H+NH4"	16.019271
"491225"	580.161171	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M-2H+NH4"	16.019271
"864894"	204.066571	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-2H+NH4"	16.019271
"34740"	397.069266	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M-2H+Na"	20.974666
"474301"	585.116566	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M-2H+Na"	20.974666
"852106"	209.021966	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-2H+Na"	20.974666
"1622006"	209.021966	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Na-2H"	20.974666
"101450"	205.028363	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M-H+Cl"	33.962126
"543204"	299.052013	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M-H+Cl"	33.962126
"936721"	111.004713	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-H+Cl"	33.962126
"279651"	411.064002	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+Cl"	34.969402
"662963"	599.111302	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+Cl"	34.969402
"1275731"	223.016702	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Cl"	34.969402
"24849"	413.043206	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M-2H+K"	36.948606
"467689"	601.090506	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M-2H+K"	36.948606
"845489"	224.995906	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-2H+K"	36.948606
"1562417"	224.995906	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+K-2H"	36.948606
"945928"	233.045494	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-H+HCOOH"	44.998194
"370705"	421.092801	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+HCOOH-H"	44.998201
"357869"	435.108451	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+Hac-H"	59.013851
"1500142"	247.061151	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Hac-H"	59.013851
"967682"	255.027451	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-H+NaCOOH"	66.980151
"117685"	223.016702	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+2Cl"	69.938804
"555423"	317.040352	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+2Cl"	69.938804
"1023493"	128.993052	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2Cl"	69.938804
"1247813"	266.966185	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Br"	78.918885
"1309165"	269.022172	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Cl+HCOOH"	80.974872
"1326663"	291.004129	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Cl+NaCOOH"	102.956829
"919910"	301.032886	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M-H+CF3COOH"	112.985586
"1297711"	337.009564	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Cl+CF3COOH"	148.962264
"1373684"	153.034624	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H-2H2O"	-35.012676
"1392274"	171.0446	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H-H2O"	-17.0027
"287588"	377.101876	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+H"	1.007276
"679279"	565.149176	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+H"	1.007276
"1357453"	189.054576	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H"	1.007276
"136903"	189.054576	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+2H"	2.014552
"578649"	283.078226	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+2H"	2.014552
"1049273"	95.030926	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2H"	2.014552
"214261"	126.372142666667	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+3H"	3.021828
"653823"	189.054576	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+3H"	3.021828
"1173041"	63.6897093333333	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+3H"	3.021828
"435219"	394.128423	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+NH4"	18.033823
"798400"	582.175723	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+NH4"	18.033823
"1693634"	206.081123	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+NH4"	18.033823
"343008"	197.5678495	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+H+NH4"	19.041099
"734337"	291.5914995	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+H+NH4"	19.041099
"1491440"	103.5441995	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H+NH4"	19.041099
"400274"	399.083818	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+Na"	22.989218
"759081"	587.131118	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+Na"	22.989218
"1610462"	211.036518	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Na"	22.989218
"325603"	200.045547	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+H+Na"	23.996494
"715106"	294.069197	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+H+Na"	23.996494
"1468926"	106.021897	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H+Na"	23.996494
"1059986"	71.0170233333333	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2H+Na"	25.00377
"1261665"	221.080786	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+CH3OH+H"	33.033486
"383521"	415.057758	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+K"	38.963158
"744518"	603.105058	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+K"	38.963158
"1548760"	227.010458	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+K"	38.963158
"301562"	208.032517	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+H+K"	39.970434
"698360"	302.056167	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+H+K"	39.970434
"1447808"	114.008867	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H+K"	39.970434
"237867"	418.128426	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+ACN+H"	42.033826
"1212401"	230.081126	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+ACN+H"	42.033826
"1197380"	115.544201	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+ACN+2H"	43.041102
"191345"	421.06576	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+2Na-H"	44.97116
"638563"	609.11306	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+2Na-H"	44.97116
"1143163"	233.01846	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2Na-H"	44.97116
"182081"	211.036518	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+2Na"	45.978436
"626015"	305.060168	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+2Na"	45.978436
"1130251"	117.012868	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2Na"	45.978436
"1411951"	78.3443373333333	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H+2Na"	46.985712
"1443339"	235.060046	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H+HCOOH"	47.012746
"235428"	216.06954	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+3H2O+2H"	56.04448
"1524142"	249.11209	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+IsoProp+H"	61.06479
"423904"	219.023488	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+Na+K"	61.952376
"783601"	313.047138	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+Na+K"	61.952376
"1671185"	124.999838	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Na+K"	61.952376
"260987"	440.110368	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+ACN+Na"	64.015768
"1232604"	252.063068	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+ACN+Na"	64.015768
"1718209"	252.086593	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+NH4+HCOOH"	64.039293
"1183563"	85.6716513333333	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+3Na"	68.967654
"1651636"	257.041988	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Na+HCOOH"	68.994688
"161408"	453.01364	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+2K-H"	76.91904
"599998"	641.06094	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+2K-H"	76.91904
"1093140"	264.96634	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2K-H"	76.91904
"147769"	227.010458	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"2M+2K"	77.926316
"588425"	321.034108	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"3M+2K"	77.926316
"1077310"	132.986808	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2K"	77.926316
"1100916"	266.980892	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2K+H"	78.933592
"1338153"	267.068507	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+DMSO+H"	79.021207
"1015432"	271.107676	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2ACN+H"	83.060376
"1537569"	272.101308	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+IsoProp+Na+H"	84.054008
"1004016"	136.057476	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+2ACN+2H"	84.067652
"1592320"	273.015928	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+K+HCOOH"	84.968628
"1419073"	303.047438	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+H+CF3COOH"	115.000138
"1150455"	156.570751	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+3ACN+2H"	125.094202
"1701101"	320.073985	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+NH4+CF3COOH"	132.026685
"1641131"	325.02938	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+Na+CF3COOH"	136.98208
"1578973"	341.00332	"C10387"	"Plumbagin"	"C11H8O3"	"188.0473"	"M+K+CF3COOH"	152.95602
"803142"	473.205	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M"	0
"987247"	454.18661	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-H2O-H"	-19.01839
"77683"	314.462724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M-3H"	-3.021828
"516146"	472.197724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M-3H"	-3.021828
"890669"	156.727724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-3H"	-3.021828
"8150"	472.197724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M-2H"	-2.014552
"452085"	708.800224	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M-2H"	-2.014552
"829887"	235.595224	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-2H"	-2.014552
"92064"	945.402724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M-H"	-1.007276
"530531"	1418.607724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M-H"	-1.007276
"906874"	472.197724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-H"	-1.007276
"47882"	962.429271	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M-2H+NH4"	16.019271
"493522"	1435.634271	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M-2H+NH4"	16.019271
"865490"	489.224271	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-2H+NH4"	16.019271
"35578"	967.384666	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M-2H+Na"	20.974666
"476598"	1440.589666	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M-2H+Na"	20.974666
"857683"	494.179666	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-2H+Na"	20.974666
"1622116"	494.179666	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Na-2H"	20.974666
"104839"	490.186063	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M-H+Cl"	33.962126
"536742"	726.788563	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M-H+Cl"	33.962126
"935738"	253.583563	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-H+Cl"	33.962126
"277575"	981.379402	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+Cl"	34.969402
"667812"	1454.584402	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+Cl"	34.969402
"1275841"	508.174402	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Cl"	34.969402
"24959"	983.358606	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M-2H+K"	36.948606
"464519"	1456.563606	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M-2H+K"	36.948606
"844506"	510.153606	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-2H+K"	36.948606
"1562527"	510.153606	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+K-2H"	36.948606
"948225"	518.203194	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-H+HCOOH"	44.998194
"374095"	991.408201	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+HCOOH-H"	44.998201
"354698"	1005.423851	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+Hac-H"	59.013851
"1497698"	532.218851	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Hac-H"	59.013851
"965605"	540.185151	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-H+NaCOOH"	66.980151
"116701"	508.174402	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+2Cl"	69.938804
"559542"	744.776902	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+2Cl"	69.938804
"1028341"	271.571902	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2Cl"	69.938804
"1249015"	552.123885	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Br"	78.918885
"1308180"	554.179872	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Cl+HCOOH"	80.974872
"1324585"	576.161829	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Cl+NaCOOH"	102.956829
"916739"	586.190586	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M-H+CF3COOH"	112.985586
"1297820"	622.167264	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Cl+CF3COOH"	148.962264
"1370514"	438.192324	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H-2H2O"	-35.012676
"1386917"	456.2023	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H-H2O"	-17.0027
"285511"	947.417276	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+H"	1.007276
"677931"	1420.622276	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+H"	1.007276
"1357563"	474.212276	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H"	1.007276
"137013"	474.212276	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+2H"	2.014552
"578760"	710.814776	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+2H"	2.014552
"1047560"	237.609776	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2H"	2.014552
"214372"	316.477276	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+3H"	3.021828
"653933"	474.212276	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+3H"	3.021828
"1175340"	158.742276	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+3H"	3.021828
"435329"	964.443823	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+NH4"	18.033823
"797417"	1437.648823	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+NH4"	18.033823
"1691558"	491.238823	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+NH4"	18.033823
"343118"	482.7255495	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+H+NH4"	19.041099
"735540"	719.3280495	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+H+NH4"	19.041099
"1489361"	246.1230495	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H+NH4"	19.041099
"400384"	969.399218	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+Na"	22.989218
"760285"	1442.604218	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+Na"	22.989218
"1609477"	496.194218	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Na"	22.989218
"320609"	485.203247	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+H+Na"	23.996494
"715215"	721.805747	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+H+Na"	23.996494
"1466850"	248.600747	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H+Na"	23.996494
"1059002"	166.06959	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2H+Na"	25.00377
"1259953"	506.238486	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+CH3OH+H"	33.033486
"380715"	985.373158	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+K"	38.963158
"741349"	1458.578158	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+K"	38.963158
"1548870"	512.168158	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+K"	38.963158
"302766"	493.190217	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+H+K"	39.970434
"698470"	729.792717	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+H+K"	39.970434
"1447918"	256.587717	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H+K"	39.970434
"239799"	988.443826	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+ACN+H"	42.033826
"1213968"	515.238826	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+ACN+H"	42.033826
"1197490"	258.123051	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+ACN+2H"	43.041102
"191820"	991.38116	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+2Na-H"	44.97116
"638673"	1464.58616	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+2Na-H"	44.97116
"1143273"	518.17616	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2Na-H"	44.97116
"187295"	496.194218	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+2Na"	45.978436
"625035"	732.796718	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+2Na"	45.978436
"1128540"	259.591718	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2Na"	45.978436
"1411700"	173.396904	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H+2Na"	46.985712
"1441993"	520.217746	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H+HCOOH"	47.012746
"234606"	501.22724	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+3H2O+2H"	56.04448
"1523032"	534.26979	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+IsoProp+H"	61.06479
"422350"	504.181188	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+Na+K"	61.952376
"785339"	740.783688	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+Na+K"	61.952376
"1673481"	267.578688	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Na+K"	61.952376
"260732"	1010.425768	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+ACN+Na"	64.015768
"1234902"	537.220768	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+ACN+Na"	64.015768
"1723423"	537.244293	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+NH4+HCOOH"	64.039293
"1185861"	180.724218	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+3Na"	68.967654
"1652839"	542.199688	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Na+HCOOH"	68.994688
"163342"	1023.32904	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+2K-H"	76.91904
"602904"	1496.53404	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+2K-H"	76.91904
"1093980"	550.12404	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2K-H"	76.91904
"148244"	512.168158	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"2M+2K"	77.926316
"590723"	748.770658	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"3M+2K"	77.926316
"1082283"	275.565658	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2K"	77.926316
"1107346"	552.138592	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2K+H"	78.933592
"1344097"	552.226207	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+DMSO+H"	79.021207
"1016273"	556.265376	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2ACN+H"	83.060376
"1536223"	557.259008	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+IsoProp+Na+H"	84.054008
"1002668"	278.636326	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+2ACN+2H"	84.067652
"1596804"	558.173628	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+K+HCOOH"	84.968628
"1420277"	588.205138	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+H+CF3COOH"	115.000138
"1149472"	299.149601	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+3ACN+2H"	125.094202
"1699390"	605.231685	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+NH4+CF3COOH"	132.026685
"1641241"	610.18708	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+Na+CF3COOH"	136.98208
"1579083"	626.16102	"C10388"	"Senampeline A"	"C25H31NO8"	"473.205"	"M+K+CF3COOH"	152.95602
"802154"	176.0837	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M"	0
"986263"	157.06531	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-H2O-H"	-19.01839
"74509"	116.381857333333	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M-3H"	-3.021828
"515163"	175.076424	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M-3H"	-3.021828
"888592"	57.6872906666667	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-3H"	-3.021828
"2793"	175.076424	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M-2H"	-2.014552
"448915"	263.118274	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M-2H"	-2.014552
"826716"	87.034574	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-2H"	-2.014552
"92174"	351.160124	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M-H"	-1.007276
"531734"	527.243824	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M-H"	-1.007276
"906255"	175.076424	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-H"	-1.007276
"48232"	368.186671	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M-2H+NH4"	16.019271
"496912"	544.270371	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M-2H+NH4"	16.019271
"868516"	192.102971	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-2H+NH4"	16.019271
"37511"	373.142066	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M-2H+Na"	20.974666
"476708"	549.225766	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M-2H+Na"	20.974666
"859980"	197.058366	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-2H+Na"	20.974666
"1625142"	197.058366	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Na-2H"	20.974666
"101669"	193.064763	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M-H+Cl"	33.962126
"536488"	281.106613	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M-H+Cl"	33.962126
"933657"	105.022913	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-H+Cl"	33.962126
"279869"	387.136802	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+Cl"	34.969402
"664642"	563.220502	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+Cl"	34.969402
"1275951"	211.053102	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Cl"	34.969402
"21789"	389.116006	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M-2H+K"	36.948606
"461349"	565.199706	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M-2H+K"	36.948606
"839148"	213.032306	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-2H+K"	36.948606
"1561544"	213.032306	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+K-2H"	36.948606
"947242"	221.081894	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-H+HCOOH"	44.998194
"367644"	397.165601	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+HCOOH-H"	44.998201
"346789"	411.181251	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+Hac-H"	59.013851
"1495621"	235.097551	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Hac-H"	59.013851
"961341"	243.063851	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-H+NaCOOH"	66.980151
"110852"	211.053102	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+2Cl"	69.938804
"551999"	299.094952	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+2Cl"	69.938804
"1022049"	123.011252	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2Cl"	69.938804
"1245842"	255.002585	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Br"	78.918885
"1306101"	257.058572	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Cl+HCOOH"	80.974872
"1322507"	279.040529	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Cl+NaCOOH"	102.956829
"912716"	289.069286	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M-H+CF3COOH"	112.985586
"1294649"	325.045964	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Cl+CF3COOH"	148.962264
"1367583"	141.071024	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H-2H2O"	-35.012676
"1384110"	159.081	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H-H2O"	-17.0027
"283067"	353.174676	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+H"	1.007276
"676216"	529.258376	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+H"	1.007276
"1356580"	177.090976	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H"	1.007276
"135667"	177.090976	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+2H"	2.014552
"574495"	265.132826	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+2H"	2.014552
"1045485"	89.049126	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2H"	2.014552
"215209"	118.396409333333	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+3H"	3.021828
"651856"	177.090976	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+3H"	3.021828
"1167795"	59.7018426666667	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+3H"	3.021828
"431066"	370.201223	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+NH4"	18.033823
"796433"	546.284923	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+NH4"	18.033823
"1693854"	194.117523	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+NH4"	18.033823
"341041"	185.6042495	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+H+NH4"	19.041099
"731273"	273.6460995	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+H+NH4"	19.041099
"1487285"	97.5623995	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H+NH4"	19.041099
"397213"	375.156618	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+Na"	22.989218
"756386"	551.240318	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+Na"	22.989218
"1607399"	199.072918	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Na"	22.989218
"321810"	188.081947	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+H+Na"	23.996494
"712045"	276.123797	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+H+Na"	23.996494
"1463680"	100.040097	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H+Na"	23.996494
"1053643"	67.0291566666667	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2H+Na"	25.00377
"1258603"	209.117186	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+CH3OH+H"	33.033486
"382648"	391.130558	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+K"	38.963158
"743645"	567.214258	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+K"	38.963158
"1545700"	215.046858	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+K"	38.963158
"305063"	196.068917	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+H+K"	39.970434
"702953"	284.110767	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+H+K"	39.970434
"1449486"	108.027067	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H+K"	39.970434
"239908"	394.201226	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+ACN+H"	42.033826
"1213713"	218.117526	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+ACN+H"	42.033826
"1197963"	109.562401	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+ACN+2H"	43.041102
"191565"	397.13856	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+2Na-H"	44.97116
"630392"	573.22226	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+2Na-H"	44.97116
"1134999"	221.05486	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2Na-H"	44.97116
"184853"	199.072918	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+2Na"	45.978436
"624414"	287.114768	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+2Na"	45.978436
"1125367"	111.031068	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2Na"	45.978436
"1411810"	74.3564706666667	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H+2Na"	46.985712
"1435540"	223.096446	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H+HCOOH"	47.012746
"229975"	204.10594	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+3H2O+2H"	56.04448
"1519129"	237.14849	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+IsoProp+H"	61.06479
"421733"	207.059888	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+Na+K"	61.952376
"784188"	295.101738	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+Na+K"	61.952376
"1673592"	119.018038	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Na+K"	61.952376
"261936"	416.183168	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+ACN+Na"	64.015768
"1234648"	240.099468	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+ACN+Na"	64.015768
"1717700"	240.122993	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+NH4+HCOOH"	64.039293
"1184877"	81.6837846666667	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+3Na"	68.967654
"1653678"	245.078388	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Na+HCOOH"	68.994688
"161630"	429.08644	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+2K-H"	76.91904
"603378"	605.17014	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+2K-H"	76.91904
"1093362"	253.00274	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2K-H"	76.91904
"148721"	215.046858	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"2M+2K"	77.926316
"593020"	303.088708	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"3M+2K"	77.926316
"1080083"	127.005008	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2K"	77.926316
"1107457"	255.017292	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2K+H"	78.933592
"1344208"	255.104907	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+DMSO+H"	79.021207
"1015291"	259.144076	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2ACN+H"	83.060376
"1536697"	260.137708	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+IsoProp+Na+H"	84.054008
"1001685"	130.075676	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+2ACN+2H"	84.067652
"1598008"	261.052328	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+K+HCOOH"	84.968628
"1423667"	291.083838	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+H+CF3COOH"	115.000138
"1158329"	150.588951	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+3ACN+2H"	125.094202
"1699135"	308.110385	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+NH4+CF3COOH"	132.026685
"1641351"	313.06578	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+Na+CF3COOH"	136.98208
"1579193"	329.03972	"C10389"	"Prenylbenzoquinone"	"C11H12O2"	"176.0837"	"M+K+CF3COOH"	152.95602
"803361"	208.1099	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M"	0
"988196"	189.09151	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"76442"	137.732657333333	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"516366"	207.102624	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"890889"	68.3626906666667	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"9463"	207.102624	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"454492"	311.157574	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"830106"	103.047674	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"93135"	415.212524	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"532574"	623.322424	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"904178"	207.102624	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"49802"	432.239071	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"498115"	640.348971	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"871542"	224.129171	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"37257"	437.194466	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"480098"	645.304366	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"857903"	229.084566	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1623429"	229.084566	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"99592"	225.090963	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"537327"	329.145913	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"933766"	121.036013	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"277792"	451.189202	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"668032"	659.299102	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1277155"	243.079302	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"19712"	453.168406	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"457085"	661.278306	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"842538"	245.058506	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1557280"	245.058506	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"945165"	253.108094	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"367752"	461.218001	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"347628"	475.233651	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1497190"	267.123751	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"963638"	275.090051	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"111205"	243.079302	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"552832"	347.134252	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1023091"	139.024352	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1245949"	287.028785	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1307303"	289.084772	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1320912"	311.066729	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"912581"	321.095486	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1290506"	357.072164	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1367694"	173.097224	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1382841"	191.1072	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"284150"	417.227076	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"675879"	625.336976	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1357783"	209.117176	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"138327"	209.117176	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"573512"	313.172126	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1043408"	105.062226	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"212402"	139.747209333333	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"653058"	209.117176	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1168996"	70.3772426666667	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"432269"	434.253623	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"798365"	642.363523	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1691778"	226.143723	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"338963"	217.6304495	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"733571"	321.6853995	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1484115"	113.5754995	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"396593"	439.209018	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"755400"	647.318918	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1609694"	231.099118	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"325199"	220.108147	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"711059"	324.163097	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1464882"	116.053197	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1054118"	77.7045566666667	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1257739"	241.143386	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"380571"	455.182958	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"744848"	663.292858	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1545810"	247.073058	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"305173"	228.095117	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"703792"	332.150067	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1451419"	124.040167	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"237832"	458.253626	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1214917"	250.143726	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1200988"	125.575501	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"196047"	461.19096	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"634513"	669.30086	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1135473"	253.08106	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"184963"	231.099118	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"623065"	335.154068	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1125477"	127.044168	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1409732"	85.0318706666667	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1438928"	255.122646	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"229718"	236.13214	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1520696"	269.17469	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"422206"	239.086088	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"782840"	343.141038	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1673699"	135.031138	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"260220"	480.235568	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1232935"	272.125668	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1717445"	272.149193	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1182799"	92.3591846666667	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1655975"	277.104588	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"163928"	493.13884	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"603488"	701.24874	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1093107"	285.02894	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"149924"	247.073058	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"590943"	351.128008	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1079463"	143.018108	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1106475"	287.043492	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1343954"	287.131107	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1014671"	291.170276	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1536078"	292.163908	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"1002888"	146.088776	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1598118"	293.078528	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1425965"	323.110038	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1158439"	166.602051	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1698515"	340.136585	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1640368"	345.09198	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1579303"	361.06592	"C10390"	"Primin"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"803108"	333.1576	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M"	0
"987213"	314.13921	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-H2O-H"	-19.01839
"73636"	221.097790666667	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M-3H"	-3.021828
"515383"	332.150324	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M-3H"	-3.021828
"888812"	110.045257333333	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-3H"	-3.021828
"3013"	332.150324	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M-2H"	-2.014552
"446947"	498.729124	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M-2H"	-2.014552
"825843"	165.571524	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-2H"	-2.014552
"84741"	665.307924	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M-H"	-1.007276
"526487"	998.465524	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M-H"	-1.007276
"904288"	332.150324	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-H"	-1.007276
"48454"	682.334471	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M-2H+NH4"	16.019271
"494945"	1015.492071	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M-2H+NH4"	16.019271
"865698"	349.176871	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-2H+NH4"	16.019271
"35180"	687.289866	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M-2H+Na"	20.974666
"474010"	1020.447466	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M-2H+Na"	20.974666
"858013"	354.132266	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-2H+Na"	20.974666
"1622446"	354.132266	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Na-2H"	20.974666
"99702"	350.138663	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M-H+Cl"	33.962126
"535980"	516.717463	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M-H+Cl"	33.962126
"933876"	183.559863	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-H+Cl"	33.962126
"276809"	701.284602	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+Cl"	34.969402
"667049"	1034.442202	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+Cl"	34.969402
"1277264"	368.127002	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Cl"	34.969402
"17755"	703.263806	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M-2H+K"	36.948606
"458288"	1036.421406	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M-2H+K"	36.948606
"842648"	370.106206	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-2H+K"	36.948606
"1559577"	370.106206	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+K-2H"	36.948606
"946368"	378.155794	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-H+HCOOH"	44.998194
"367862"	711.313401	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+HCOOH-H"	44.998201
"349196"	725.329051	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+Hac-H"	59.013851
"1497300"	392.171451	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Hac-H"	59.013851
"964842"	400.137751	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-H+NaCOOH"	66.980151
"111558"	368.127002	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+2Cl"	69.938804
"552942"	534.705802	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+2Cl"	69.938804
"1023567"	201.548202	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2Cl"	69.938804
"1243874"	412.076485	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Br"	78.918885
"1308507"	414.132472	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Cl+HCOOH"	80.974872
"1322723"	436.114429	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Cl+NaCOOH"	102.956829
"911960"	446.143186	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M-H+CF3COOH"	112.985586
"1289076"	482.119864	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Cl+CF3COOH"	148.962264
"1368288"	298.144924	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H-2H2O"	-35.012676
"1382748"	316.1549	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H-H2O"	-17.0027
"283449"	667.322476	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+H"	1.007276
"675826"	1000.480076	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+H"	1.007276
"1356800"	334.164876	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H"	1.007276
"135157"	334.164876	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+2H"	2.014552
"570706"	500.743676	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+2H"	2.014552
"1041694"	167.586076	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2H"	2.014552
"209230"	223.112342666667	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+3H"	3.021828
"648063"	334.164876	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+3H"	3.021828
"1165826"	112.059809333333	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+3H"	3.021828
"428369"	684.349023	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+NH4"	18.033823
"795559"	1017.506623	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+NH4"	18.033823
"1689701"	351.191423	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+NH4"	18.033823
"339073"	342.6781495	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+H+NH4"	19.041099
"731497"	509.2569495	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+H+NH4"	19.041099
"1485314"	176.0993495	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H+NH4"	19.041099
"399621"	689.304418	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+Na"	22.989218
"758429"	1022.462018	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+Na"	22.989218
"1605434"	356.146818	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Na"	22.989218
"323124"	345.155847	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+H+Na"	23.996494
"708133"	511.734647	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+H+Na"	23.996494
"1462317"	178.577047	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H+Na"	23.996494
"1053986"	119.387123333333	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2H+Na"	25.00377
"1257607"	366.191086	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+CH3OH+H"	33.033486
"378736"	705.278358	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+K"	38.963158
"741678"	1038.435958	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+K"	38.963158
"1545920"	372.120758	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+K"	38.963158
"305283"	353.142817	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+H+K"	39.970434
"704266"	519.721617	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+H+K"	39.970434
"1448613"	186.564017	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H+K"	39.970434
"237576"	708.349026	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+ACN+H"	42.033826
"1212839"	375.191426	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+ACN+H"	42.033826
"1197816"	188.099351	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+ACN+2H"	43.041102
"191052"	711.28636	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+2Na-H"	44.97116
"633530"	1044.44396	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+2Na-H"	44.97116
"1134489"	378.12876	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2Na-H"	44.97116
"184708"	356.146818	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+2Na"	45.978436
"624269"	522.725618	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+2Na"	45.978436
"1123400"	189.568018	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2Na"	45.978436
"1409111"	126.714437333333	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H+2Na"	46.985712
"1434665"	380.170346	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H+HCOOH"	47.012746
"228735"	361.17984	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+3H2O+2H"	56.04448
"1517890"	394.22239	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+IsoProp+H"	61.06479
"423044"	364.133788	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+Na+K"	61.952376
"780758"	530.712588	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+Na+K"	61.952376
"1672717"	197.554988	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Na+K"	61.952376
"257051"	730.330968	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+ACN+Na"	64.015768
"1231952"	397.173368	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+ACN+Na"	64.015768
"1718648"	397.196893	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+NH4+HCOOH"	64.039293
"1184002"	134.041751333333	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+3Na"	68.967654
"1654992"	402.152288	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Na+HCOOH"	68.994688
"162945"	743.23424	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+2K-H"	76.91904
"603599"	1076.39184	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+2K-H"	76.91904
"1093217"	410.07664	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2K-H"	76.91904
"149305"	372.120758	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"2M+2K"	77.926316
"593240"	538.699558	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"3M+2K"	77.926316
"1078845"	205.541958	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2K"	77.926316
"1105493"	412.091192	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2K+H"	78.933592
"1344065"	412.178807	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+DMSO+H"	79.021207
"1015876"	416.217976	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2ACN+H"	83.060376
"1536189"	417.211608	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+IsoProp+Na+H"	84.054008
"1003726"	208.612626	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+2ACN+2H"	84.067652
"1598228"	418.126228	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+K+HCOOH"	84.968628
"1423888"	448.157738	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+H+CF3COOH"	115.000138
"1157456"	229.125901	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+3ACN+2H"	125.094202
"1699354"	465.184285	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+NH4+CF3COOH"	132.026685
"1638292"	470.13968	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+Na+CF3COOH"	136.98208
"1579413"	486.11362	"C10391"	"Seneciphylline"	"C18H23NO5"	"333.1576"	"M+K+CF3COOH"	152.95602
"803218"	520.0794	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M"	0
"987687"	501.06101	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-H2O-H"	-19.01839
"75933"	345.712324	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M-3H"	-3.021828
"512213"	519.072124	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M-3H"	-3.021828
"884548"	172.352524	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-3H"	-3.021828
"6403"	519.072124	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M-2H"	-2.014552
"448151"	779.111824	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M-2H"	-2.014552
"820485"	259.032424	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-2H"	-2.014552
"84850"	1039.151524	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M-H"	-1.007276
"526597"	1559.230924	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M-H"	-1.007276
"902211"	519.072124	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-H"	-1.007276
"49293"	1056.178071	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M-2H+NH4"	16.019271
"490315"	1576.257471	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M-2H+NH4"	16.019271
"865687"	536.098671	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-2H+NH4"	16.019271
"35289"	1061.133466	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M-2H+Na"	20.974666
"474122"	1581.212866	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M-2H+Na"	20.974666
"857030"	541.054066	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-2H+Na"	20.974666
"1622556"	541.054066	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Na-2H"	20.974666
"101999"	537.060463	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M-H+Cl"	33.962126
"536094"	797.100163	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M-H+Cl"	33.962126
"932893"	277.020763	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-H+Cl"	33.962126
"276919"	1075.128202	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+Cl"	34.969402
"663879"	1595.207602	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+Cl"	34.969402
"1277375"	555.048802	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Cl"	34.969402
"18107"	1077.107406	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M-2H+K"	36.948606
"459492"	1597.186806	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M-2H+K"	36.948606
"837291"	557.028006	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-2H+K"	36.948606
"1561872"	557.028006	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+K-2H"	36.948606
"947570"	565.077594	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-H+HCOOH"	44.998194
"365787"	1085.157001	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+HCOOH-H"	44.998201
"348212"	1099.172651	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+Hac-H"	59.013851
"1497410"	579.093251	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Hac-H"	59.013851
"961670"	587.059551	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-H+NaCOOH"	66.980151
"111673"	555.048802	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+2Cl"	69.938804
"555607"	815.088502	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+2Cl"	69.938804
"1023313"	295.009102	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2Cl"	69.938804
"1243983"	598.998285	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Br"	78.918885
"1307523"	601.054272	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Cl+HCOOH"	80.974872
"1322834"	623.036229	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Cl+NaCOOH"	102.956829
"912070"	633.064986	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M-H+CF3COOH"	112.985586
"1289507"	669.041664	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Cl+CF3COOH"	148.962264
"1368762"	485.066724	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H-2H2O"	-35.012676
"1382935"	503.0767	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H-H2O"	-17.0027
"283234"	1041.166076	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+H"	1.007276
"676058"	1561.245476	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+H"	1.007276
"1352534"	521.086676	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H"	1.007276
"135996"	521.086676	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+2H"	2.014552
"570452"	781.126376	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+2H"	2.014552
"1041440"	261.046976	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2H"	2.014552
"210435"	347.726876	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+3H"	3.021828
"648173"	521.086676	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+3H"	3.021828
"1164842"	174.367076	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+3H"	3.021828
"428114"	1058.192623	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+NH4"	18.033823
"794576"	1578.272023	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+NH4"	18.033823
"1688717"	538.113223	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+NH4"	18.033823
"339184"	529.5999495	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+H+NH4"	19.041099
"732700"	789.6396495	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+H+NH4"	19.041099
"1485425"	269.5602495	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H+NH4"	19.041099
"399730"	1063.148018	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+Na"	22.989218
"759632"	1583.227418	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+Na"	22.989218
"1611010"	543.068618	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Na"	22.989218
"322141"	532.077647	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+H+Na"	23.996494
"710187"	792.117347	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+H+Na"	23.996494
"1462548"	272.037947	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H+Na"	23.996494
"1053975"	181.69439	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2H+Na"	25.00377
"1257190"	553.112886	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+CH3OH+H"	33.033486
"378725"	1079.121958	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+K"	38.963158
"741788"	1599.201358	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+K"	38.963158
"1546030"	559.042558	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+K"	38.963158
"302113"	540.064617	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+H+K"	39.970434
"696721"	800.104317	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+H+K"	39.970434
"1449452"	280.024917	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H+K"	39.970434
"237321"	1082.192626	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+ACN+H"	42.033826
"1212949"	562.113226	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+ACN+H"	42.033826
"1196833"	281.560251	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+ACN+2H"	43.041102
"189706"	1085.12996	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+2Na-H"	44.97116
"632547"	1605.20936	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+2Na-H"	44.97116
"1135692"	565.05056	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2Na-H"	44.97116
"175700"	543.068618	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+2Na"	45.978436
"620002"	803.108318	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+2Na"	45.978436
"1120228"	283.028918	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2Na"	45.978436
"1402292"	189.021704	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H+2Na"	46.985712
"1432589"	567.092146	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H+HCOOH"	47.012746
"227751"	548.10164	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+3H2O+2H"	56.04448
"1515813"	581.14419	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+IsoProp+H"	61.06479
"420965"	551.055588	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+Na+K"	61.952376
"781960"	811.095288	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+Na+K"	61.952376
"1672827"	291.015888	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Na+K"	61.952376
"253882"	1104.174568	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+ACN+Na"	64.015768
"1231332"	584.095168	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+ACN+Na"	64.015768
"1717665"	584.118693	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+NH4+HCOOH"	64.039293
"1183019"	196.349018	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+3Na"	68.967654
"1652915"	589.074088	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Na+HCOOH"	68.994688
"163055"	1117.07784	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+2K-H"	76.91904
"599699"	1637.15724	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+2K-H"	76.91904
"1095150"	596.99844	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2K-H"	76.91904
"148322"	559.042558	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"2M+2K"	77.926316
"595537"	819.082258	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"3M+2K"	77.926316
"1082601"	299.002858	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2K"	77.926316
"1105604"	599.012992	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2K+H"	78.933592
"1341989"	599.100607	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+DMSO+H"	79.021207
"1018174"	603.139776	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2ACN+H"	83.060376
"1538485"	604.133408	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+IsoProp+Na+H"	84.054008
"1001649"	302.073526	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+2ACN+2H"	84.067652
"1599433"	605.048028	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+K+HCOOH"	84.968628
"1425092"	635.079538	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+H+CF3COOH"	115.000138
"1156474"	322.586801	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+3ACN+2H"	125.094202
"1698733"	652.106085	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+NH4+CF3COOH"	132.026685
"1638402"	657.06148	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+Na+CF3COOH"	136.98208
"1579523"	673.03542	"C10392"	"Pseudohypericin"	"C30H16O9"	"520.0794"	"M+K+CF3COOH"	152.95602
"801908"	335.1733	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M"	0
"985610"	316.15491	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-H2O-H"	-19.01839
"73856"	222.441590666667	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M-3H"	-3.021828
"512323"	334.166024	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M-3H"	-3.021828
"887937"	110.717157333333	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-3H"	-3.021828
"4326"	334.166024	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M-2H"	-2.014552
"449352"	501.752674	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M-2H"	-2.014552
"820595"	166.579374	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-2H"	-2.014552
"86053"	669.339324	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M-H"	-1.007276
"524519"	1004.512624	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M-H"	-1.007276
"902321"	334.166024	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-H"	-1.007276
"52686"	686.365871	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M-2H+NH4"	16.019271
"497353"	1021.539171	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M-2H+NH4"	16.019271
"870051"	351.192571	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-2H+NH4"	16.019271
"39775"	691.321266	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M-2H+Na"	20.974666
"475689"	1026.494566	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M-2H+Na"	20.974666
"859327"	356.147966	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-2H+Na"	20.974666
"1619383"	356.147966	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Na-2H"	20.974666
"102109"	352.154363	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M-H+Cl"	33.962126
"535837"	519.741013	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M-H+Cl"	33.962126
"936285"	184.567713	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-H+Cl"	33.962126
"277029"	705.316002	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+Cl"	34.969402
"671641"	1040.489302	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+Cl"	34.969402
"1282950"	370.142702	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Cl"	34.969402
"20040"	707.295206	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M-2H+K"	36.948606
"460696"	1042.468506	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M-2H+K"	36.948606
"839589"	372.121906	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-2H+K"	36.948606
"1565263"	372.121906	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+K-2H"	36.948606
"948776"	380.171494	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-H+HCOOH"	44.998194
"365899"	715.344801	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+HCOOH-H"	44.998201
"351969"	729.360451	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+Hac-H"	59.013851
"1498614"	394.187151	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Hac-H"	59.013851
"965062"	402.153451	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-H+NaCOOH"	66.980151
"113240"	370.142702	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+2Cl"	69.938804
"555718"	537.729352	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+2Cl"	69.938804
"1024516"	202.556052	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2Cl"	69.938804
"1245188"	414.092185	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Br"	78.918885
"1305448"	416.148172	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Cl+HCOOH"	80.974872
"1320395"	438.130129	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Cl+NaCOOH"	102.956829
"912546"	448.158886	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M-H+CF3COOH"	112.985586
"1291078"	484.135564	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Cl+CF3COOH"	148.962264
"1367782"	300.160624	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H-2H2O"	-35.012676
"1386374"	318.1706	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H-H2O"	-17.0027
"289342"	671.353876	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+H"	1.007276
"681765"	1006.527176	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+H"	1.007276
"1355928"	336.180576	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H"	1.007276
"135376"	336.180576	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+2H"	2.014552
"567646"	503.767226	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+2H"	2.014552
"1039726"	168.593926	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2H"	2.014552
"207263"	224.456142666667	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+3H"	3.021828
"646459"	336.180576	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+3H"	3.021828
"1164949"	112.731709333333	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+3H"	3.021828
"426765"	688.380423	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+NH4"	18.033823
"793592"	1023.553723	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+NH4"	18.033823
"1689921"	353.207123	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+NH4"	18.033823
"337107"	344.6938495	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+H+NH4"	19.041099
"728435"	512.2804995	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+H+NH4"	19.041099
"1483350"	177.1071995	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H+NH4"	19.041099
"398747"	693.335818	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+Na"	22.989218
"754882"	1028.509118	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+Na"	22.989218
"1605650"	358.162518	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Na"	22.989218
"316780"	347.171547	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+H+Na"	23.996494
"709566"	514.758197	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+H+Na"	23.996494
"1462418"	179.584897	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H+Na"	23.996494
"1054448"	120.059023333333	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2H+Na"	25.00377
"1261228"	368.206786	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+CH3OH+H"	33.033486
"378712"	709.309758	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+K"	38.963158
"739709"	1044.483058	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+K"	38.963158
"1546140"	374.136458	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+K"	38.963158
"300764"	355.158517	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+H+K"	39.970434
"696831"	522.745167	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+H+K"	39.970434
"1452839"	187.571867	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H+K"	39.970434
"242537"	712.380426	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+ACN+H"	42.033826
"1215245"	377.207126	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+ACN+H"	42.033826
"1195484"	189.107201	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+ACN+2H"	43.041102
"189086"	715.31776	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+2Na-H"	44.97116
"629741"	1050.49106	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+2Na-H"	44.97116
"1135068"	380.14446	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2Na-H"	44.97116
"174717"	358.162518	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+2Na"	45.978436
"620112"	525.749168	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+2Na"	45.978436
"1120336"	190.575868	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2Na"	45.978436
"1407140"	127.386337333333	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H+2Na"	46.985712
"1435979"	382.186046	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H+HCOOH"	47.012746
"226768"	363.19554	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+3H2O+2H"	56.04448
"1519204"	396.23809	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+IsoProp+H"	61.06479
"417797"	366.149488	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+Na+K"	61.952376
"778791"	533.736138	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+Na+K"	61.952376
"1672939"	198.562838	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Na+K"	61.952376
"256179"	734.362368	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+ACN+Na"	64.015768
"1228526"	399.189068	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+ACN+Na"	64.015768
"1713766"	399.212593	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+NH4+HCOOH"	64.039293
"1179849"	134.713651333333	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+3Na"	68.967654
"1651200"	404.167988	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Na+HCOOH"	68.994688
"158061"	747.26564	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+2K-H"	76.91904
"602725"	1082.43894	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+2K-H"	76.91904
"1087604"	412.09234	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2K-H"	76.91904
"146243"	374.136458	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"2M+2K"	77.926316
"586896"	541.723108	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"3M+2K"	77.926316
"1080160"	206.549808	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2K"	77.926316
"1102432"	414.106892	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2K+H"	78.933592
"1345380"	414.194507	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+DMSO+H"	79.021207
"1015004"	418.233676	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2ACN+H"	83.060376
"1536409"	419.227308	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+IsoProp+Na+H"	84.054008
"1000666"	209.620476	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+2ACN+2H"	84.067652
"1601608"	420.141928	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+K+HCOOH"	84.968628
"1427390"	450.173438	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+H+CF3COOH"	115.000138
"1155490"	230.133751	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+3ACN+2H"	125.094202
"1698478"	467.199985	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+NH4+CF3COOH"	132.026685
"1641792"	472.15538	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+Na+CF3COOH"	136.98208
"1579633"	488.12932	"C10393"	"Senecivernine;21-Norsenecionan-1116-dione 12-hydroxy-14-methyl- (12zeta13zeta)-"	"C18H25NO5"	"335.1733"	"M+K+CF3COOH"	152.95602
"801407"	300.027	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M"	0
"985720"	281.00861	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-H2O-H"	-19.01839
"76879"	199.010724	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M-3H"	-3.021828
"515714"	299.019724	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M-3H"	-3.021828
"891328"	99.001724	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-3H"	-3.021828
"9901"	299.019724	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M-2H"	-2.014552
"449461"	449.033224	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M-2H"	-2.014552
"821794"	149.006224	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-2H"	-2.014552
"81059"	599.046724	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M-H"	-1.007276
"522441"	899.073724	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M-H"	-1.007276
"897447"	299.019724	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-H"	-1.007276
"52067"	616.073271	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M-2H+NH4"	16.019271
"497463"	916.100271	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M-2H+NH4"	16.019271
"870161"	316.046271	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-2H+NH4"	16.019271
"39885"	621.028666	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M-2H+Na"	20.974666
"480539"	921.055666	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M-2H+Na"	20.974666
"858341"	321.001666	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-2H+Na"	20.974666
"1625692"	321.001666	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Na-2H"	20.974666
"102219"	317.008063	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M-H+Cl"	33.962126
"539594"	467.021563	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M-H+Cl"	33.962126
"936395"	166.994563	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-H+Cl"	33.962126
"276046"	635.023402	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+Cl"	34.969402
"672845"	935.050402	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+Cl"	34.969402
"1284154"	334.996402	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Cl"	34.969402
"22338"	637.002606	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M-2H+K"	36.948606
"460806"	937.029606	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M-2H+K"	36.948606
"839701"	336.975606	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-2H+K"	36.948606
"1564280"	336.975606	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+K-2H"	36.948606
"948885"	345.025194	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-H+HCOOH"	44.998194
"368194"	645.052201	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+HCOOH-H"	44.998201
"352079"	659.067851	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+Hac-H"	59.013851
"1498358"	359.040851	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Hac-H"	59.013851
"962254"	367.007151	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-H+NaCOOH"	66.980151
"110797"	334.996402	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+2Cl"	69.938804
"552546"	485.009902	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+2Cl"	69.938804
"1024625"	184.982902	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2Cl"	69.938804
"1247486"	378.945885	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Br"	78.918885
"1309932"	381.001872	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Cl+HCOOH"	80.974872
"1327430"	402.983829	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Cl+NaCOOH"	102.956829
"922862"	413.012586	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M-H+CF3COOH"	112.985586
"1291918"	448.989264	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Cl+CF3COOH"	148.962264
"1368256"	265.014324	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H-2H2O"	-35.012676
"1385756"	283.0243	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H-H2O"	-17.0027
"290546"	601.061276	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+H"	1.007276
"681875"	901.088276	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+H"	1.007276
"1360412"	301.034276	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H"	1.007276
"137673"	301.034276	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+2H"	2.014552
"566541"	451.047776	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+2H"	2.014552
"1038623"	151.020776	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2H"	2.014552
"206645"	201.025276	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+3H"	3.021828
"646568"	301.034276	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+3H"	3.021828
"1168342"	101.016276	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+3H"	3.021828
"426875"	618.087823	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+NH4"	18.033823
"794796"	918.114823	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+NH4"	18.033823
"1690031"	318.060823	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+NH4"	18.033823
"339404"	309.5475495	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+H+NH4"	19.041099
"730731"	459.5610495	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+H+NH4"	19.041099
"1486740"	159.5340495	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H+NH4"	19.041099
"401045"	623.043218	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+Na"	22.989218
"756572"	923.070218	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+Na"	22.989218
"1603939"	323.016218	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Na"	22.989218
"316890"	312.025247	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+H+Na"	23.996494
"707857"	462.038747	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+H+Na"	23.996494
"1462772"	162.011747	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H+Na"	23.996494
"1055289"	108.34359	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2H+Na"	25.00377
"1261339"	333.060486	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+CH3OH+H"	33.033486
"379917"	639.017158	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+K"	38.963158
"740913"	939.044158	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+K"	38.963158
"1542970"	338.990158	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+K"	38.963158
"301238"	320.012217	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+H+K"	39.970434
"695848"	470.025717	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+H+K"	39.970434
"1454042"	169.998717	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H+K"	39.970434
"242647"	642.087826	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+ACN+H"	42.033826
"1217543"	342.060826	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+ACN+H"	42.033826
"1198146"	171.534051	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+ACN+2H"	43.041102
"190653"	645.02516	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+2Na-H"	44.97116
"631309"	945.05216	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+2Na-H"	44.97116
"1132507"	344.99816	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2Na-H"	44.97116
"177016"	323.016218	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+2Na"	45.978436
"620222"	473.029718	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+2Na"	45.978436
"1121540"	173.002718	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2Na"	45.978436
"1410530"	115.670904	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H+2Na"	46.985712
"1441192"	347.039746	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H+HCOOH"	47.012746
"230159"	328.04924	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+3H2O+2H"	56.04448
"1518220"	361.09179	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+IsoProp+H"	61.06479
"417907"	331.003188	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+Na+K"	61.952376
"778902"	481.016688	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+Na+K"	61.952376
"1674141"	180.989688	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Na+K"	61.952376
"259571"	664.069768	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+ACN+Na"	64.015768
"1232280"	364.042768	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+ACN+Na"	64.015768
"1718978"	364.066293	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+NH4+HCOOH"	64.039293
"1183240"	122.998218	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+3Na"	68.967654
"1653133"	369.021688	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Na+HCOOH"	68.994688
"158900"	676.97304	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+2K-H"	76.91904
"599555"	977.00004	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+2K-H"	76.91904
"1090629"	376.94604	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2K-H"	76.91904
"148540"	338.990158	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"2M+2K"	77.926316
"588101"	489.003658	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"3M+2K"	77.926316
"1073707"	188.976658	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2K"	77.926316
"1113479"	378.960592	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2K+H"	78.933592
"1349864"	379.048207	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+DMSO+H"	79.021207
"1020094"	383.087376	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2ACN+H"	83.060376
"1539683"	384.081008	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+IsoProp+Na+H"	84.054008
"1005403"	192.047326	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+2ACN+2H"	84.067652
"1599654"	384.995628	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+K+HCOOH"	84.968628
"1427501"	415.027138	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+H+CF3COOH"	115.000138
"1155599"	212.560601	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+3ACN+2H"	125.094202
"1698957"	432.053685	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+NH4+CF3COOH"	132.026685
"1634970"	437.00908	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+Na+CF3COOH"	136.98208
"1579743"	452.98302	"C10394"	"Pseudopurpurin"	"C15H8O7"	"300.027"	"M+K+CF3COOH"	152.95602
"802454"	256.0372	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M"	0
"985830"	237.01881	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-H2O-H"	-19.01839
"74073"	169.684190666667	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M-3H"	-3.021828
"513637"	255.029924	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M-3H"	-3.021828
"891439"	84.3384573333333	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-3H"	-3.021828
"13292"	255.029924	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M-2H"	-2.014552
"447385"	383.048524	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M-2H"	-2.014552
"824091"	127.011324	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-2H"	-2.014552
"84085"	511.067124	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M-H"	-1.007276
"520365"	767.104324	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M-H"	-1.007276
"898531"	255.029924	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-H"	-1.007276
"48529"	528.093671	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M-2H+NH4"	16.019271
"496480"	784.130871	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M-2H+NH4"	16.019271
"870635"	272.056471	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-2H+NH4"	16.019271
"39995"	533.049066	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M-2H+Na"	20.974666
"479920"	789.086266	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M-2H+Na"	20.974666
"855171"	277.011866	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-2H+Na"	20.974666
"1622520"	277.011866	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Na-2H"	20.974666
"105608"	273.018263	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M-H+Cl"	33.962126
"537517"	401.036863	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M-H+Cl"	33.962126
"936505"	144.999663	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-H+Cl"	33.962126
"277249"	547.043802	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+Cl"	34.969402
"674414"	803.081002	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+Cl"	34.969402
"1286086"	291.006602	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Cl"	34.969402
"26822"	549.023006	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M-2H+K"	36.948606
"464196"	805.060206	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M-2H+K"	36.948606
"840904"	292.985806	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-2H+K"	36.948606
"1565484"	292.985806	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+K-2H"	36.948606
"948995"	301.035394	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-H+HCOOH"	44.998194
"369397"	557.072601	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+HCOOH-H"	44.998201
"351459"	571.088251	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+Hac-H"	59.013851
"1498468"	315.051051	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Hac-H"	59.013851
"964550"	323.017351	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-H+NaCOOH"	66.980151
"113459"	291.006602	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+2Cl"	69.938804
"553750"	419.025202	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+2Cl"	69.938804
"1028016"	162.988002	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2Cl"	69.938804
"1246867"	334.956085	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Br"	78.918885
"1310043"	337.012072	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Cl+HCOOH"	80.974872
"1330822"	358.994029	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Cl+NaCOOH"	102.956829
"920786"	369.022786	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M-H+CF3COOH"	112.985586
"1292756"	404.999464	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Cl+CF3COOH"	148.962264
"1368002"	221.024524	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H-2H2O"	-35.012676
"1384407"	239.0345	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H-H2O"	-17.0027
"287740"	513.081676	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+H"	1.007276
"679069"	769.118876	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+H"	1.007276
"1362345"	257.044476	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H"	1.007276
"131223"	257.044476	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+2H"	2.014552
"566772"	385.063076	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+2H"	2.014552
"1040678"	129.025876	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2H"	2.014552
"207849"	171.698742666667	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+3H"	3.021828
"646682"	257.044476	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+3H"	3.021828
"1165902"	86.3530093333333	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+3H"	3.021828
"428076"	530.108223	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+NH4"	18.033823
"790894"	786.145423	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+NH4"	18.033823
"1691236"	274.071023	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+NH4"	18.033823
"341699"	265.5577495	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+H+NH4"	19.041099
"728656"	393.5763495	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+H+NH4"	19.041099
"1486850"	137.5391495	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H+NH4"	19.041099
"400062"	535.063618	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+Na"	22.989218
"761057"	791.100818	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+Na"	22.989218
"1604780"	279.026418	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Na"	22.989218
"318096"	268.035447	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+H+Na"	23.996494
"709425"	396.054047	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+H+Na"	23.996494
"1462029"	140.016847	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H+Na"	23.996494
"1055761"	93.6803233333333	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2H+Na"	25.00377
"1258169"	289.070686	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+CH3OH+H"	33.033486
"379297"	551.037558	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+K"	38.963158
"742120"	807.074758	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+K"	38.963158
"1544174"	295.000358	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+K"	38.963158
"301348"	276.022417	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+H+K"	39.970434
"697051"	404.041017	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+H+K"	39.970434
"1450873"	148.003817	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H+K"	39.970434
"239840"	554.108226	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+ACN+H"	42.033826
"1215466"	298.071026	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+ACN+H"	42.033826
"1195705"	149.539151	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+ACN+2H"	43.041102
"192223"	557.04556	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+2Na-H"	44.97116
"631056"	813.08276	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+2Na-H"	44.97116
"1135657"	301.00836	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2Na-H"	44.97116
"177491"	279.026418	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+2Na"	45.978436
"624706"	407.045018	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+2Na"	45.978436
"1124930"	151.007818	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2Na"	45.978436
"1410640"	101.007637333333	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H+2Na"	46.985712
"1440573"	303.049946	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H+HCOOH"	47.012746
"232945"	284.05944	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+3H2O+2H"	56.04448
"1518332"	317.10199	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+IsoProp+H"	61.06479
"418017"	287.013388	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+Na+K"	61.952376
"781200"	415.031988	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+Na+K"	61.952376
"1677532"	158.994788	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Na+K"	61.952376
"260774"	576.090168	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+ACN+Na"	64.015768
"1236765"	320.052968	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+ACN+Na"	64.015768
"1723462"	320.076493	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+NH4+HCOOH"	64.039293
"1185539"	108.334951333333	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+3Na"	68.967654
"1653242"	325.031888	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Na+HCOOH"	68.994688
"160104"	588.99344	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+2K-H"	76.91904
"601853"	845.03064	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+2K-H"	76.91904
"1088553"	332.95624	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2K-H"	76.91904
"149743"	295.000358	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"2M+2K"	77.926316
"589305"	423.018958	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"3M+2K"	77.926316
"1073817"	166.981758	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2K"	77.926316
"1114805"	334.970792	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2K+H"	78.933592
"1349731"	335.058407	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+DMSO+H"	79.021207
"1020083"	339.097576	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2ACN+H"	83.060376
"1539426"	340.091208	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+IsoProp+Na+H"	84.054008
"1004776"	170.052426	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+2ACN+2H"	84.067652
"1599764"	341.005828	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+K+HCOOH"	84.968628
"1428581"	371.037338	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+H+CF3COOH"	115.000138
"1154616"	190.565701	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+3ACN+2H"	125.094202
"1697974"	388.063885	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+NH4+CF3COOH"	132.026685
"1635444"	393.01928	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+Na+CF3COOH"	136.98208
"1579853"	408.99322	"C10395"	"Purpurin"	"C14H8O5"	"256.0372"	"M+K+CF3COOH"	152.95602
"804751"	365.1838	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M"	0
"989588"	346.16541	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-H2O-H"	-19.01839
"76373"	242.448590666667	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M-3H"	-3.021828
"511560"	364.176524	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M-3H"	-3.021828
"889362"	120.720657333333	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-3H"	-3.021828
"4656"	364.176524	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M-2H"	-2.014552
"446402"	546.768424	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M-2H"	-2.014552
"822017"	181.584624	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-2H"	-2.014552
"81279"	729.360324	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M-H"	-1.007276
"525944"	1094.544124	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M-H"	-1.007276
"904839"	364.176524	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-H"	-1.007276
"52287"	746.386871	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M-2H+NH4"	16.019271
"497683"	1111.570671	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M-2H+NH4"	16.019271
"867464"	381.203071	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-2H+NH4"	16.019271
"40105"	751.342266	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M-2H+Na"	20.974666
"479666"	1116.526066	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M-2H+Na"	20.974666
"856376"	386.158466	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-2H+Na"	20.974666
"1629191"	386.158466	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Na-2H"	20.974666
"109608"	382.164863	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M-H+Cl"	33.962126
"539813"	564.756763	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M-H+Cl"	33.962126
"939894"	199.572963	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-H+Cl"	33.962126
"277357"	765.337002	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+Cl"	34.969402
"675013"	1130.520802	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+Cl"	34.969402
"1287290"	400.153202	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Cl"	34.969402
"28752"	767.316206	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M-2H+K"	36.948606
"466494"	1132.500006	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M-2H+K"	36.948606
"844292"	402.132406	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-2H+K"	36.948606
"1566688"	402.132406	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+K-2H"	36.948606
"953476"	410.181994	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-H+HCOOH"	44.998194
"368413"	775.365801	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+HCOOH-H"	44.998201
"351568"	789.381451	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+Hac-H"	59.013851
"1499307"	424.197651	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Hac-H"	59.013851
"965391"	432.163951	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-H+NaCOOH"	66.980151
"116486"	400.153202	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+2Cl"	69.938804
"557140"	582.745102	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+2Cl"	69.938804
"1029218"	217.561302	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2Cl"	69.938804
"1245884"	444.102685	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Br"	78.918885
"1312342"	446.158672	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Cl+HCOOH"	80.974872
"1325829"	468.140629	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Cl+NaCOOH"	102.956829
"915065"	478.169386	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M-H+CF3COOH"	112.985586
"1292501"	514.146064	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Cl+CF3COOH"	148.962264
"1369570"	330.171124	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H-2H2O"	-35.012676
"1387069"	348.1811	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H-H2O"	-17.0027
"287486"	731.374876	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+H"	1.007276
"678815"	1096.558676	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+H"	1.007276
"1360998"	366.191076	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H"	1.007276
"133524"	366.191076	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+2H"	2.014552
"567249"	548.782976	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+2H"	2.014552
"1038237"	183.599176	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2H"	2.014552
"207229"	244.463142666667	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+3H"	3.021828
"648612"	366.191076	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+3H"	3.021828
"1167100"	122.735209333333	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+3H"	3.021828
"429644"	748.401423	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+NH4"	18.033823
"799024"	1113.585223	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+NH4"	18.033823
"1689159"	383.217623	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+NH4"	18.033823
"335249"	374.7043495	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+H+NH4"	19.041099
"729859"	557.2962495	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+H+NH4"	19.041099
"1488054"	192.1124495	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H+NH4"	19.041099
"401266"	753.356818	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+Na"	22.989218
"765540"	1118.540618	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+Na"	22.989218
"1607076"	388.173018	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Na"	22.989218
"320393"	377.182047	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+H+Na"	23.996494
"708564"	559.773947	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+H+Na"	23.996494
"1463359"	194.590147	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H+Na"	23.996494
"1058789"	130.062523333333	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2H+Na"	25.00377
"1260468"	398.217286	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+CH3OH+H"	33.033486
"381233"	769.330758	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+K"	38.963158
"742232"	1134.514558	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+K"	38.963158
"1543554"	404.146958	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+K"	38.963158
"303646"	385.169017	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+H+K"	39.970434
"698255"	567.760917	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+H+K"	39.970434
"1456448"	202.577117	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H+K"	39.970434
"240315"	772.401426	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+ACN+H"	42.033826
"1214847"	407.217626	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+ACN+H"	42.033826
"1200551"	204.112451	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+ACN+2H"	43.041102
"191603"	775.33876	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+2Na-H"	44.97116
"631894"	1140.52256	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+2Na-H"	44.97116
"1136860"	410.15496	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2Na-H"	44.97116
"186352"	388.173018	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+2Na"	45.978436
"619351"	570.764918	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+2Na"	45.978436
"1126136"	205.581118	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2Na"	45.978436
"1410754"	137.389837333333	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H+2Na"	46.985712
"1438499"	412.196546	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H+HCOOH"	47.012746
"229285"	393.20604	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+3H2O+2H"	56.04448
"1517349"	426.24859	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+IsoProp+H"	61.06479
"420315"	396.159988	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+Na+K"	61.952376
"780219"	578.751888	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+Na+K"	61.952376
"1674366"	213.568088	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Na+K"	61.952376
"259793"	794.383368	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+ACN+Na"	64.015768
"1236875"	429.199568	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+ACN+Na"	64.015768
"1723575"	429.223093	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+NH4+HCOOH"	64.039293
"1180546"	144.717151333333	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+3Na"	68.967654
"1653355"	434.178488	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Na+HCOOH"	68.994688
"161309"	807.28664	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+2K-H"	76.91904
"600869"	1172.47044	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+2K-H"	76.91904
"1087568"	442.10284	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2K-H"	76.91904
"147664"	404.146958	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"2M+2K"	77.926316
"584309"	586.738858	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"3M+2K"	77.926316
"1073924"	221.555058	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2K"	77.926316
"1110416"	444.117392	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2K+H"	78.933592
"1349961"	444.205007	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+DMSO+H"	79.021207
"1017520"	448.244176	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2ACN+H"	83.060376
"1538932"	449.237808	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+IsoProp+Na+H"	84.054008
"1002090"	224.625726	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+2ACN+2H"	84.067652
"1595498"	450.152428	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+K+HCOOH"	84.968628
"1423346"	480.183938	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+H+CF3COOH"	115.000138
"1149624"	245.139001	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+3ACN+2H"	125.094202
"1707565"	497.210485	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+NH4+CF3COOH"	132.026685
"1648319"	502.16588	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+Na+CF3COOH"	136.98208
"1579960"	518.13982	"C10396"	"Senkirkine"	"C19H27NO6"	"365.1838"	"M+K+CF3COOH"	152.95602
"803768"	270.0528	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M"	0
"986050"	251.03441	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"74298"	179.027924	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"513857"	269.045524	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"889472"	89.010324	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"4766"	269.045524	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"446512"	404.071924	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"823221"	134.019124	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"82119"	539.098324	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"523867"	809.151124	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"903856"	269.045524	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"54949"	556.124871	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"495607"	826.177671	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"867574"	286.072071	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"40215"	561.080266	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"478683"	831.133066	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"855393"	291.027466	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1630394"	291.027466	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"106923"	287.033863	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"547941"	422.060263	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"932346"	152.007463	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"277465"	575.075002	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"666610"	845.127802	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1284483"	305.022202	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"23758"	577.054206	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"461134"	847.107006	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"835289"	307.001406	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1562426"	307.001406	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"948122"	315.050994	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"365971"	585.103801	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"351675"	599.119451	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1494309"	329.066651	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"963312"	337.032951	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"113312"	305.022202	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"550320"	440.048602	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1023496"	169.995802	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1245994"	348.971685	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1309169"	351.027672	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1331040"	373.009629	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"925745"	383.038386	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1292975"	419.015064	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1369680"	235.040124	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1387543"	253.0501	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"287596"	541.112876	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"682205"	811.165676	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1359649"	271.060076	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"132541"	271.060076	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"568817"	406.086476	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1039440"	136.033676	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"209161"	181.042476	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"649450"	271.060076	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1173043"	91.024876	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"431941"	558.139423	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"797312"	828.192223	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1687081"	288.086623	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"334267"	279.5733495	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"728874"	414.5997495	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1487070"	144.5469495	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"400283"	563.094818	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"764557"	833.147618	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1607186"	293.042018	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"320503"	282.051047	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"709646"	417.077447	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1468932"	147.024647	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1056713"	98.35219	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1261672"	303.086286	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"379518"	579.068758	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"742340"	849.121558	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1541840"	309.015958	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"298812"	290.038017	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"694719"	425.064417	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1454371"	155.011617	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"240060"	582.139426	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1213134"	312.086626	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1197017"	156.546951	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"191710"	585.07676	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"633099"	855.12956	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1137699"	315.02396	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"179897"	293.042018	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"626386"	428.068418	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1129163"	158.015618	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1409771"	105.679504	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1441889"	317.065546	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"229395"	298.07504	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1519644"	331.11759	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"419332"	301.028988	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"779236"	436.055388	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1676663"	166.002588	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"264278"	604.121368	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1236986"	334.068568	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1723685"	334.092093	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1185758"	113.006818	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1653828"	339.047488	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"160690"	617.02464	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"603167"	887.07744	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1088043"	346.97184	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"148868"	309.015958	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"584054"	444.042358	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1078408"	173.989558	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1111622"	348.986392	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1349950"	349.074007	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1019817"	353.113176	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1539815"	354.106808	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"1003292"	177.060226	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1597795"	355.021428	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1422363"	385.052938	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1150465"	197.573501	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1709862"	402.079485	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1649686"	407.03488	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1580070"	423.00882	"C10397"	"Purpurin 1-methyl ether"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"810439"	188.0473	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M"	0
"987253"	169.02891	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-H2O-H"	-19.01839
"75501"	124.357590666667	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M-3H"	-3.021828
"513967"	187.040024	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M-3H"	-3.021828
"891769"	61.6751573333333	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-3H"	-3.021828
"4876"	187.040024	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M-2H"	-2.014552
"446622"	281.063674	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M-2H"	-2.014552
"823331"	93.016374	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-2H"	-2.014552
"83323"	375.087324	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M-H"	-1.007276
"526164"	563.134624	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M-H"	-1.007276
"902872"	187.040024	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-H"	-1.007276
"53966"	392.113871	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M-2H+NH4"	16.019271
"489883"	580.161171	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M-2H+NH4"	16.019271
"866225"	204.066571	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-2H+NH4"	16.019271
"35950"	397.069266	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M-2H+Na"	20.974666
"478793"	585.116566	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M-2H+Na"	20.974666
"855500"	209.021966	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-2H+Na"	20.974666
"1627224"	209.021966	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Na-2H"	20.974666
"104845"	205.028363	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M-H+Cl"	33.962126
"545498"	299.052013	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M-H+Cl"	33.962126
"931363"	111.004713	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-H+Cl"	33.962126
"274295"	411.064002	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+Cl"	34.969402
"671095"	599.111302	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+Cl"	34.969402
"1287510"	223.016702	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Cl"	34.969402
"28973"	413.043206	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M-2H+K"	36.948606
"465619"	601.090506	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M-2H+K"	36.948606
"839044"	224.995906	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-2H+K"	36.948606
"1564721"	224.995906	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+K-2H"	36.948606
"949325"	233.045494	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-H+HCOOH"	44.998194
"366446"	421.092801	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+HCOOH-H"	44.998201
"349234"	435.108451	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+Hac-H"	59.013851
"1496973"	247.061151	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Hac-H"	59.013851
"963422"	255.027451	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-H+NaCOOH"	66.980151
"114881"	223.016702	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+2Cl"	69.938804
"551160"	317.040352	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+2Cl"	69.938804
"1024337"	128.993052	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2Cl"	69.938804
"1243917"	266.966185	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Br"	78.918885
"1307458"	269.022172	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Cl+HCOOH"	80.974872
"1332244"	291.004129	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Cl+NaCOOH"	102.956829
"918200"	301.032886	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M-H+CF3COOH"	112.985586
"1294547"	337.009564	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Cl+CF3COOH"	148.962264
"1367277"	153.034624	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H-2H2O"	-35.012676
"1383640"	171.0446	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H-H2O"	-17.0027
"286246"	377.101876	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+H"	1.007276
"680493"	565.149176	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+H"	1.007276
"1356478"	189.054576	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H"	1.007276
"135928"	189.054576	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+2H"	2.014552
"571116"	283.078226	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+2H"	2.014552
"1038821"	95.030926	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2H"	2.014552
"207450"	126.372142666667	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+3H"	3.021828
"647376"	189.054576	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+3H"	3.021828
"1165133"	63.6897093333333	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+3H"	3.021828
"432053"	394.128423	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+NH4"	18.033823
"799608"	582.175723	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+NH4"	18.033823
"1687192"	206.081123	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+NH4"	18.033823
"333284"	197.5678495	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+H+NH4"	19.041099
"725703"	291.5914995	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+H+NH4"	19.041099
"1484993"	103.5441995	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H+NH4"	19.041099
"399298"	399.083818	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+Na"	22.989218
"763574"	587.131118	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+Na"	22.989218
"1602783"	211.036518	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Na"	22.989218
"315149"	200.045547	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+H+Na"	23.996494
"707321"	294.069197	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+H+Na"	23.996494
"1469045"	106.021897	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H+Na"	23.996494
"1054638"	71.0170233333333	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2H+Na"	25.00377
"1260690"	221.080786	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+CH3OH+H"	33.033486
"379265"	415.057758	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+K"	38.963158
"741721"	603.105058	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+K"	38.963158
"1540286"	227.010458	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+K"	38.963158
"302042"	208.032517	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+H+K"	39.970434
"697382"	302.056167	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+H+K"	39.970434
"1454482"	114.008867	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H+K"	39.970434
"240534"	418.128426	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+ACN+H"	42.033826
"1213244"	230.081126	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+ACN+H"	42.033826
"1198220"	115.544201	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+ACN+2H"	43.041102
"192549"	421.06576	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+2Na-H"	44.97116
"632116"	609.11306	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+2Na-H"	44.97116
"1137809"	233.01846	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2Na-H"	44.97116
"180007"	211.036518	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+2Na"	45.978436
"624310"	305.060168	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+2Na"	45.978436
"1127452"	117.012868	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2Na"	45.978436
"1411339"	78.3443373333333	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H+2Na"	46.985712
"1440906"	235.060046	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H+HCOOH"	47.012746
"230964"	216.06954	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+3H2O+2H"	56.04448
"1517203"	249.11209	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+IsoProp+H"	61.06479
"419807"	219.023488	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+Na+K"	61.952376
"780075"	313.047138	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+Na+K"	61.952376
"1679689"	124.999838	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Na+K"	61.952376
"263294"	440.110368	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+ACN+Na"	64.015768
"1238189"	252.063068	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+ACN+Na"	64.015768
"1721608"	252.086593	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+NH4+HCOOH"	64.039293
"1185871"	85.6716513333333	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+3Na"	68.967654
"1656854"	257.041988	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Na+HCOOH"	68.994688
"161528"	453.01364	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+2K-H"	76.91904
"604372"	641.06094	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+2K-H"	76.91904
"1091070"	264.96634	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2K-H"	76.91904
"150073"	227.010458	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"2M+2K"	77.926316
"585258"	321.034108	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"3M+2K"	77.926316
"1080707"	132.986808	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2K"	77.926316
"1113919"	266.980892	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2K+H"	78.933592
"1350913"	267.068507	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+DMSO+H"	79.021207
"1019805"	271.107676	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2ACN+H"	83.060376
"1539638"	272.101308	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+IsoProp+Na+H"	84.054008
"1003402"	136.057476	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+2ACN+2H"	84.067652
"1596812"	273.015928	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+K+HCOOH"	84.968628
"1423567"	303.047438	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+H+CF3COOH"	115.000138
"1150939"	156.570751	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+3ACN+2H"	125.094202
"1707785"	320.073985	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+NH4+CF3COOH"	132.026685
"1649512"	325.02938	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+Na+CF3COOH"	136.98208
"1580180"	341.00332	"C10398"	"Ramentaceone;7-Methyljuglone"	"C11H8O3"	"188.0473"	"M+K+CF3COOH"	152.95602
"813835"	322.2144	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M"	0
"987364"	303.19601	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-H2O-H"	-19.01839
"75608"	213.802324	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M-3H"	-3.021828
"516506"	321.207124	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M-3H"	-3.021828
"890784"	106.397524	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-3H"	-3.021828
"7169"	321.207124	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M-2H"	-2.014552
"445638"	482.314324	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M-2H"	-2.014552
"819065"	160.099924	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-2H"	-2.014552
"83430"	643.421524	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M-H"	-1.007276
"520074"	965.635924	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M-H"	-1.007276
"898967"	321.207124	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-H"	-1.007276
"49698"	660.448071	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M-2H+NH4"	16.019271
"489993"	982.662471	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M-2H+NH4"	16.019271
"867430"	338.233671	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-2H+NH4"	16.019271
"42624"	665.403466	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M-2H+Na"	20.974666
"479998"	987.617866	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M-2H+Na"	20.974666
"855613"	343.189066	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-2H+Na"	20.974666
"1627334"	343.189066	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Na-2H"	20.974666
"98395"	339.195463	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M-H+Cl"	33.962126
"539053"	500.302663	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M-H+Cl"	33.962126
"933661"	178.088263	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-H+Cl"	33.962126
"273315"	679.398202	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+Cl"	34.969402
"663549"	1001.612602	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+Cl"	34.969402
"1284704"	357.183802	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Cl"	34.969402
"23983"	681.377406	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M-2H+K"	36.948606
"464637"	1003.591806	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M-2H+K"	36.948606
"839157"	359.163006	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-2H+K"	36.948606
"1560457"	359.163006	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+K-2H"	36.948606
"947247"	367.212594	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-H+HCOOH"	44.998194
"367650"	689.427001	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+HCOOH-H"	44.998201
"351532"	703.442651	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+Hac-H"	59.013851
"1497085"	381.228251	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Hac-H"	59.013851
"961709"	389.194551	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-H+NaCOOH"	66.980151
"113898"	357.183802	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+2Cl"	69.938804
"550540"	518.291002	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+2Cl"	69.938804
"1025175"	196.076602	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2Cl"	69.938804
"1246943"	401.133285	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Br"	78.918885
"1312672"	403.189272	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Cl+HCOOH"	80.974872
"1327979"	425.171229	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Cl+NaCOOH"	102.956829
"912114"	435.199986	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M-H+CF3COOH"	112.985586
"1289916"	471.176664	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Cl+CF3COOH"	148.962264
"1367188"	287.201724	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H-2H2O"	-35.012676
"1384118"	305.2117	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H-H2O"	-17.0027
"287817"	645.436076	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+H"	1.007276
"679145"	967.650476	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+H"	1.007276
"1355494"	323.221676	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H"	1.007276
"129477"	323.221676	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+2H"	2.014552
"574506"	484.328876	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+2H"	2.014552
"1043305"	162.114476	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2H"	2.014552
"213394"	215.816876	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+3H"	3.021828
"655141"	323.221676	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+3H"	3.021828
"1174360"	108.412076	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+3H"	3.021828
"428886"	662.462623	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+NH4"	18.033823
"799357"	984.677023	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+NH4"	18.033823
"1695322"	340.248223	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+NH4"	18.033823
"343235"	331.7349495	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+H+NH4"	19.041099
"734562"	492.8421495	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+H+NH4"	19.041099
"1487289"	170.6277495	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H+NH4"	19.041099
"400501"	667.418018	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+Na"	22.989218
"765871"	989.632418	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+Na"	22.989218
"1602912"	345.203618	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Na"	22.989218
"314480"	334.212647	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+H+Na"	23.996494
"708286"	495.319847	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+H+Na"	23.996494
"1465876"	173.105447	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H+Na"	23.996494
"1053285"	115.73939	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2H+Na"	25.00377
"1260071"	355.247886	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+CH3OH+H"	33.033486
"380472"	683.391958	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+K"	38.963158
"742924"	1005.606358	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+K"	38.963158
"1543520"	361.177558	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+K"	38.963158
"307259"	342.199617	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+H+K"	39.970434
"701504"	503.306817	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+H+K"	39.970434
"1451679"	181.092417	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H+K"	39.970434
"243196"	686.462626	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+ACN+H"	42.033826
"1218094"	364.248226	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+ACN+H"	42.033826
"1199060"	182.627751	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+ACN+2H"	43.041102
"193389"	689.39996	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+2Na-H"	44.97116
"633684"	1011.61436	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+2Na-H"	44.97116
"1137924"	367.18556	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2Na-H"	44.97116
"181214"	345.203618	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+2Na"	45.978436
"621140"	506.310818	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+2Na"	45.978436
"1123917"	184.096418	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2Na"	45.978436
"1411088"	123.066704	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H+2Na"	46.985712
"1439192"	369.227146	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H+HCOOH"	47.012746
"229617"	350.23664	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+3H2O+2H"	56.04448
"1518773"	383.27919	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+IsoProp+H"	61.06479
"418824"	353.190588	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+Na+K"	61.952376
"776906"	514.297788	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+Na+K"	61.952376
"1675789"	192.083388	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Na+K"	61.952376
"259029"	708.444568	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+ACN+Na"	64.015768
"1238301"	386.230168	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+ACN+Na"	64.015768
"1716615"	386.253693	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+NH4+HCOOH"	64.039293
"1183793"	130.394018	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+3Na"	68.967654
"1654779"	391.209088	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Na+HCOOH"	68.994688
"163831"	721.34784	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+2K-H"	76.91904
"607765"	1043.56224	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+2K-H"	76.91904
"1095556"	399.13344	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2K-H"	76.91904
"153466"	361.177558	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"2M+2K"	77.926316
"594121"	522.284758	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"3M+2K"	77.926316
"1080820"	200.070358	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2K"	77.926316
"1115621"	401.147992	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2K+H"	78.933592
"1350053"	401.235607	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+DMSO+H"	79.021207
"1021099"	405.274776	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2ACN+H"	83.060376
"1537066"	406.268408	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+IsoProp+Na+H"	84.054008
"1003391"	203.141026	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+2ACN+2H"	84.067652
"1598016"	407.183028	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+K+HCOOH"	84.968628
"1419302"	437.214538	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+H+CF3COOH"	115.000138
"1151779"	223.654301	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+3ACN+2H"	125.094202
"1707895"	454.241085	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+NH4+CF3COOH"	132.026685
"1648649"	459.19648	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+Na+CF3COOH"	136.98208
"1580293"	475.17042	"C10399"	"Rapanone"	"C19H30O4"	"322.2144"	"M+K+CF3COOH"	152.95602
"815039"	139.0997	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M"	0
"988572"	120.08131	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-H2O-H"	-19.01839
"76810"	91.7258573333333	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M-3H"	-3.021828
"517792"	138.092424	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M-3H"	-3.021828
"893448"	45.3592906666667	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-3H"	-3.021828
"12386"	138.092424	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M-2H"	-2.014552
"453403"	207.642274	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M-2H"	-2.014552
"824642"	68.542574	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-2H"	-2.014552
"87913"	277.192124	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M-H"	-1.007276
"524559"	416.291824	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M-H"	-1.007276
"901995"	138.092424	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-H"	-1.007276
"51996"	294.218671	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M-2H+NH4"	16.019271
"489736"	433.318371	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M-2H+NH4"	16.019271
"868268"	155.118971	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-2H+NH4"	16.019271
"42734"	299.174066	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M-2H+Na"	20.974666
"479014"	438.273766	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M-2H+Na"	20.974666
"856816"	160.074366	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-2H+Na"	20.974666
"1630724"	160.074366	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Na-2H"	20.974666
"99601"	156.080763	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M-H+Cl"	33.962126
"543536"	225.630613	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M-H+Cl"	33.962126
"939239"	86.530913	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-H+Cl"	33.962126
"277801"	313.168802	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+Cl"	34.969402
"666942"	452.268502	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+Cl"	34.969402
"1282632"	174.069102	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Cl"	34.969402
"25187"	315.148006	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M-2H+K"	36.948606
"464749"	454.247706	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M-2H+K"	36.948606
"841455"	176.048306	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-2H+K"	36.948606
"1563850"	176.048306	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+K-2H"	36.948606
"950638"	184.097894	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-H+HCOOH"	44.998194
"369949"	323.197601	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+HCOOH-H"	44.998201
"354926"	337.213251	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+Hac-H"	59.013851
"1504850"	198.113551	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Hac-H"	59.013851
"969111"	206.079851	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-H+NaCOOH"	66.980151
"116926"	174.069102	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+2Cl"	69.938804
"554299"	243.618952	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+2Cl"	69.938804
"1028566"	104.519252	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2Cl"	69.938804
"1253614"	218.018585	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Br"	78.918885
"1316429"	220.074572	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Cl+HCOOH"	80.974872
"1329185"	242.056529	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Cl+NaCOOH"	102.956829
"921339"	252.085286	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M-H+CF3COOH"	112.985586
"1291487"	288.061964	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Cl+CF3COOH"	148.962264
"1371835"	104.087024	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H-2H2O"	-35.012676
"1384228"	122.097	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H-H2O"	-17.0027
"287927"	279.206676	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+H"	1.007276
"676695"	418.306376	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+H"	1.007276
"1356697"	140.106976	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H"	1.007276
"128493"	140.106976	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+2H"	2.014552
"570242"	209.656826	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+2H"	2.014552
"1040497"	70.557126	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2H"	2.014552
"212410"	93.7404093333333	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+3H"	3.021828
"656343"	140.106976	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+3H"	3.021828
"1173376"	47.3738426666667	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+3H"	3.021828
"437743"	296.233223	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+NH4"	18.033823
"799104"	435.332923	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+NH4"	18.033823
"1693974"	157.133523	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+NH4"	18.033823
"344075"	148.6202495	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+H+NH4"	19.041099
"735767"	218.1700995	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+H+NH4"	19.041099
"1491410"	79.0703995	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H+NH4"	19.041099
"401705"	301.188618	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+Na"	22.989218
"765981"	440.288318	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+Na"	22.989218
"1603755"	162.088918	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Na"	22.989218
"316826"	151.097947	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+H+Na"	23.996494
"709248"	220.647797	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+H+Na"	23.996494
"1464894"	81.548097	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H+Na"	23.996494
"1058141"	54.7011566666667	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2H+Na"	25.00377
"1262009"	172.133186	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+CH3OH+H"	33.033486
"388239"	317.162558	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+K"	38.963158
"743765"	456.262258	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+K"	38.963158
"1546911"	178.062858	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+K"	38.963158
"309555"	159.084917	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+H+K"	39.970434
"702705"	228.634767	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+H+K"	39.970434
"1457256"	89.535067	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H+K"	39.970434
"246585"	320.233226	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+ACN+H"	42.033826
"1216017"	181.133526	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+ACN+H"	42.033826
"1203177"	91.070401	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+ACN+2H"	43.041102
"196050"	323.17056	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+2Na-H"	44.97116
"633793"	462.27026	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+2Na-H"	44.97116
"1134388"	184.07086	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2Na-H"	44.97116
"176950"	162.088918	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+2Na"	45.978436
"615418"	231.638768	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+2Na"	45.978436
"1123299"	92.539068	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2Na"	45.978436
"1405730"	62.0284706666667	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H+2Na"	46.985712
"1436386"	186.112446	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H+HCOOH"	47.012746
"223530"	167.12194	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+3H2O+2H"	56.04448
"1515602"	200.16449	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+IsoProp+H"	61.06479
"416383"	170.075888	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+Na+K"	61.952376
"777377"	239.625738	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+Na+K"	61.952376
"1675899"	100.526038	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Na+K"	61.952376
"259139"	342.215168	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+ACN+Na"	64.015768
"1232943"	203.115468	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+ACN+Na"	64.015768
"1716361"	203.138993	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+NH4+HCOOH"	64.039293
"1183539"	69.3557846666667	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+3Na"	68.967654
"1655255"	208.094388	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Na+HCOOH"	68.994688
"161022"	355.11844	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+2K-H"	76.91904
"602042"	494.21814	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+2K-H"	76.91904
"1095667"	216.01874	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2K-H"	76.91904
"151390"	178.062858	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"2M+2K"	77.926316
"594232"	247.612708	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"3M+2K"	77.926316
"1079835"	108.513008	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2K"	77.926316
"1114018"	218.033292	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2K+H"	78.933592
"1350282"	218.120907	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+DMSO+H"	79.021207
"1020150"	222.160076	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2ACN+H"	83.060376
"1536082"	223.153708	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+IsoProp+Na+H"	84.054008
"1000342"	111.583676	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+2ACN+2H"	84.067652
"1597033"	224.068328	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+K+HCOOH"	84.968628
"1418320"	254.099838	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+H+CF3COOH"	115.000138
"1148974"	132.096951	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+3ACN+2H"	125.094202
"1708005"	271.126385	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+NH4+CF3COOH"	132.026685
"1649123"	276.08178	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+Na+CF3COOH"	136.98208
"1580403"	292.05572	"C10400"	"Supinidine"	"C8H13NO"	"139.0997"	"M+K+CF3COOH"	152.95602
"815876"	284.0321	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M"	0
"989570"	265.01371	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-H2O-H"	-19.01839
"73640"	188.347457333333	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M-3H"	-3.021828
"517941"	283.024824	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M-3H"	-3.021828
"894285"	93.6700906666667	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-3H"	-3.021828
"12859"	283.024824	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M-2H"	-2.014552
"454241"	425.040874	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M-2H"	-2.014552
"821471"	141.008774	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-2H"	-2.014552
"84744"	567.056924	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M-H"	-1.007276
"522119"	851.089024	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M-H"	-1.007276
"899190"	283.024824	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-H"	-1.007276
"48825"	584.083471	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M-2H+NH4"	16.019271
"488752"	868.115571	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M-2H+NH4"	16.019271
"866555"	300.051371	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-2H+NH4"	16.019271
"42844"	589.038866	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M-2H+Na"	20.974666
"479124"	873.070966	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M-2H+Na"	20.974666
"856926"	305.006766	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-2H+Na"	20.974666
"1633021"	305.006766	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Na-2H"	20.974666
"100804"	301.013163	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M-H+Cl"	33.962126
"543646"	443.029213	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M-H+Cl"	33.962126
"939349"	158.997113	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-H+Cl"	33.962126
"279004"	603.033602	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+Cl"	34.969402
"669238"	887.065702	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+Cl"	34.969402
"1283471"	319.001502	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Cl"	34.969402
"25296"	605.012806	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M-2H+K"	36.948606
"463764"	889.044906	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M-2H+K"	36.948606
"841565"	320.980706	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-2H+K"	36.948606
"1565054"	320.980706	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+K-2H"	36.948606
"951843"	329.030294	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-H+HCOOH"	44.998194
"370057"	613.062401	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+HCOOH-H"	44.998201
"355033"	627.078051	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+Hac-H"	59.013851
"1499491"	343.045951	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Hac-H"	59.013851
"968126"	351.012251	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-H+NaCOOH"	66.980151
"119222"	319.001502	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+2Cl"	69.938804
"556595"	461.017552	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+2Cl"	69.938804
"1028676"	176.985452	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2Cl"	69.938804
"1251903"	362.950985	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Br"	78.918885
"1315808"	365.006972	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Cl+HCOOH"	80.974872
"1329298"	386.988929	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Cl+NaCOOH"	102.956829
"918170"	397.017686	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M-H+CF3COOH"	112.985586
"1294877"	432.994364	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Cl+CF3COOH"	148.962264
"1368661"	249.019424	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H-2H2O"	-35.012676
"1384703"	267.0294	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H-H2O"	-17.0027
"287308"	569.071476	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+H"	1.007276
"676200"	853.103576	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+H"	1.007276
"1353891"	285.039376	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H"	1.007276
"126655"	285.039376	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+2H"	2.014552
"567436"	427.055426	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+2H"	2.014552
"1039512"	143.023326	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2H"	2.014552
"208146"	190.362009333333	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+3H"	3.021828
"650986"	285.039376	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+3H"	3.021828
"1173486"	95.6846426666667	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+3H"	3.021828
"436759"	586.098023	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+NH4"	18.033823
"797754"	870.130123	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+NH4"	18.033823
"1689710"	302.065923	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+NH4"	18.033823
"341269"	293.5526495	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+H+NH4"	19.041099
"733692"	435.5686995	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+H+NH4"	19.041099
"1488604"	151.5365995	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H+NH4"	19.041099
"400722"	591.053418	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+Na"	22.989218
"762810"	875.085518	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+Na"	22.989218
"1603376"	307.021318	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Na"	22.989218
"315718"	296.030347	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+H+Na"	23.996494
"707653"	438.046397	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+H+Na"	23.996494
"1463060"	154.014297	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H+Na"	23.996494
"1058251"	103.011956666667	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2H+Na"	25.00377
"1260295"	317.065586	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+CH3OH+H"	33.033486
"385069"	607.027358	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+K"	38.963158
"742417"	891.059458	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+K"	38.963158
"1544469"	322.995258	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+K"	38.963158
"308572"	304.017317	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+H+K"	39.970434
"698804"	446.033367	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+H+K"	39.970434
"1453720"	162.001267	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H+K"	39.970434
"244507"	610.098026	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+ACN+H"	42.033826
"1216489"	326.065926	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+ACN+H"	42.033826
"1197819"	163.536601	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+ACN+2H"	43.041102
"193972"	613.03536	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+2Na-H"	44.97116
"633539"	897.06746	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+2Na-H"	44.97116
"1133037"	329.00326	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2Na-H"	44.97116
"175599"	307.021318	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+2Na"	45.978436
"618808"	449.037368	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+2Na"	45.978436
"1126689"	165.005268	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2Na"	45.978436
"1401466"	110.339270666667	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H+2Na"	46.985712
"1433579"	331.044846	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H+HCOOH"	47.012746
"224368"	312.05434	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+3H2O+2H"	56.04448
"1515712"	345.09689	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+IsoProp+H"	61.06479
"416492"	315.008288	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+Na+K"	61.952376
"781133"	457.024338	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+Na+K"	61.952376
"1672725"	172.992238	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Na+K"	61.952376
"257061"	632.079968	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+ACN+Na"	64.015768
"1233050"	348.047868	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+ACN+Na"	64.015768
"1717566"	348.071393	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+NH4+HCOOH"	64.039293
"1183284"	117.666584666667	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+3Na"	68.967654
"1653176"	353.026788	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Na+HCOOH"	68.994688
"161498"	644.98324	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+2K-H"	76.91904
"601420"	929.01534	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+2K-H"	76.91904
"1093590"	360.95114	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2K-H"	76.91904
"151500"	322.995258	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"2M+2K"	77.926316
"593248"	465.011308	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"3M+2K"	77.926316
"1079948"	180.979208	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2K"	77.926316
"1109874"	362.965692	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2K+H"	78.933592
"1347350"	363.053307	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+DMSO+H"	79.021207
"1016975"	367.092476	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2ACN+H"	83.060376
"1531818"	368.086108	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+IsoProp+Na+H"	84.054008
"997172"	184.049876	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+2ACN+2H"	84.067652
"1594957"	369.000728	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+K+HCOOH"	84.968628
"1416244"	399.032238	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+H+CF3COOH"	115.000138
"1149448"	204.563151	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+3ACN+2H"	125.094202
"1708115"	416.058785	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+NH4+CF3COOH"	132.026685
"1645953"	421.01418	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+Na+CF3COOH"	136.98208
"1580513"	436.98812	"C10401"	"Rhein"	"C15H8O6"	"284.0321"	"M+K+CF3COOH"	152.95602
"814163"	254.0579	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M"	0
"986601"	235.03951	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"73750"	168.364657333333	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"517686"	253.050624	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"892938"	83.6786906666667	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"12969"	253.050624	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"452529"	380.079574	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"824861"	126.021674	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"79872"	507.108524	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"522229"	761.166424	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"897477"	253.050624	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"48205"	524.135071	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"487765"	778.192971	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"865082"	270.077171	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"39672"	529.090466	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"478140"	783.148366	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"857036"	275.032566	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1634143"	275.032566	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"98727"	271.038963	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"543756"	398.067913	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"939459"	144.010013	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"278021"	543.085202	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"669348"	797.143102	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1283945"	289.027302	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"26499"	545.064406	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"463874"	799.122306	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"842768"	291.006506	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1567349"	291.006506	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"954139"	299.056094	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"372353"	553.114001	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"358423"	567.129651	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1500695"	313.071751	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"968236"	321.038051	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"119332"	289.027302	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"557798"	416.056252	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1028786"	161.998352	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1252377"	332.976785	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1316282"	335.032772	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1329408"	357.014729	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"917186"	367.043486	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1293893"	403.020164	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1369500"	219.045224	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1384082"	237.0552	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"287054"	509.123076	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"676552"	763.180976	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1354001"	255.065176	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"125710"	255.065176	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"567546"	382.094126	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1041448"	128.036226	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"207163"	170.379209333333	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"653283"	255.065176	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1175783"	85.6932426666667	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"433592"	526.149623	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"794587"	780.207523	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1694195"	272.091723	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"341380"	263.5784495	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"733801"	390.6073995	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1484341"	136.5494995	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"400832"	531.105018	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"761828"	785.162918	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1603045"	277.047118	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"314860"	266.056147	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"707646"	393.085097	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1463291"	139.027197	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1053620"	93.0205566666667	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1261134"	287.091386	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"385179"	547.078958	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"741800"	801.136858	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1544214"	293.021058	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"310868"	274.043117	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"700008"	401.072067	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1456746"	147.014167	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"245711"	550.149626	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1217327"	296.091726	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1201211"	148.549501	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"195176"	553.08696	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"634735"	807.14486	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1134964"	299.02906	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"179356"	277.047118	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"616730"	404.076068	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1118051"	150.018168	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1401574"	100.347870666667	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1433689"	301.070646	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"226666"	282.08014	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1515822"	315.12269	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"414415"	285.034088	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"779784"	412.063038	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1675023"	158.005138	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"259355"	572.131568	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1235348"	318.073668	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1714395"	318.097193	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1187404"	107.675184666667	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1657297"	323.052588	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"164160"	585.03484	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"602627"	839.09274	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1093700"	330.97694	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"150516"	293.021058	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"593358"	420.050008	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1083338"	165.992108	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1109985"	332.991492	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1345273"	333.079107	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1015992"	337.118276	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1533022"	338.111908	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"996189"	169.062776	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1597254"	339.026528	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1416354"	369.058038	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1149194"	189.576051	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1706038"	386.084585	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1647157"	391.03998	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1580623"	407.01392	"C10402"	"Rubiadin"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"802244"	283.1784	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M"	0
"988779"	264.16001	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-H2O-H"	-19.01839
"73861"	187.778324	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M-3H"	-3.021828
"511235"	282.171124	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M-3H"	-3.021828
"892317"	93.385524	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-3H"	-3.021828
"11984"	282.171124	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M-2H"	-2.014552
"448264"	423.760324	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M-2H"	-2.014552
"821692"	140.581924	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-2H"	-2.014552
"81683"	565.349524	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M-H"	-1.007276
"523432"	848.527924	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M-H"	-1.007276
"898314"	282.171124	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-H"	-1.007276
"49408"	582.376071	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M-2H+NH4"	16.019271
"488240"	865.554471	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M-2H+NH4"	16.019271
"865675"	299.197671	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-2H+NH4"	16.019271
"32847"	587.331466	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M-2H+Na"	20.974666
"472408"	870.509866	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M-2H+Na"	20.974666
"852770"	304.153066	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-2H+Na"	20.974666
"1623397"	304.153066	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Na-2H"	20.974666
"99927"	300.159463	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M-H+Cl"	33.962126
"542769"	441.748663	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M-H+Cl"	33.962126
"940904"	158.570263	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-H+Cl"	33.962126
"278131"	601.326202	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+Cl"	34.969402
"671645"	884.504602	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+Cl"	34.969402
"1280773"	318.147802	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Cl"	34.969402
"24422"	603.305406	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M-2H+K"	36.948606
"465077"	886.483806	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M-2H+K"	36.948606
"840691"	320.127006	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-2H+K"	36.948606
"1565273"	320.127006	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+K-2H"	36.948606
"952064"	328.176594	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-H+HCOOH"	44.998194
"370276"	611.355001	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+HCOOH-H"	44.998201
"353066"	625.370651	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+Hac-H"	59.013851
"1501899"	342.192251	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Hac-H"	59.013851
"970534"	350.158551	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-H+NaCOOH"	66.980151
"118349"	318.147802	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+2Cl"	69.938804
"557913"	459.737002	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+2Cl"	69.938804
"1032178"	176.558602	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2Cl"	69.938804
"1253944"	362.097285	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Br"	78.918885
"1317485"	364.153272	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Cl+HCOOH"	80.974872
"1329516"	386.135229	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Cl+NaCOOH"	102.956829
"916565"	396.163986	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M-H+CF3COOH"	112.985586
"1294001"	432.140664	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Cl+CF3COOH"	148.962264
"1369248"	248.165724	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H-2H2O"	-35.012676
"1385655"	266.1757	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H-H2O"	-17.0027
"287164"	567.364076	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+H"	1.007276
"676301"	850.542476	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+H"	1.007276
"1352651"	284.185676	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H"	1.007276
"127729"	284.185676	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+2H"	2.014552
"566196"	425.774876	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+2H"	2.014552
"1039373"	142.596476	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2H"	2.014552
"205693"	189.792876	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+3H"	3.021828
"646835"	284.185676	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+3H"	3.021828
"1168240"	95.400076	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+3H"	3.021828
"431512"	584.390623	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+NH4"	18.033823
"795423"	867.569023	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+NH4"	18.033823
"1687744"	301.212223	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+NH4"	18.033823
"338208"	292.6989495	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+H+NH4"	19.041099
"728443"	434.2881495	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+H+NH4"	19.041099
"1482265"	151.1097495	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H+NH4"	19.041099
"397661"	589.346018	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+Na"	22.989218
"757562"	872.524418	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+Na"	22.989218
"1603234"	306.167618	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Na"	22.989218
"314398"	295.176647	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+H+Na"	23.996494
"712501"	436.765847	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+H+Na"	23.996494
"1461697"	153.587447	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H+Na"	23.996494
"1053119"	102.72739	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2H+Na"	25.00377
"1257962"	316.211886	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+CH3OH+H"	33.033486
"379820"	605.319958	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+K"	38.963158
"739722"	888.498358	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+K"	38.963158
"1541408"	322.141558	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+K"	38.963158
"301865"	303.163617	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+H+K"	39.970434
"694651"	444.752817	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+H+K"	39.970434
"1452847"	161.574417	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H+K"	39.970434
"239262"	608.390626	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+ACN+H"	42.033826
"1212335"	325.212226	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+ACN+H"	42.033826
"1195854"	163.109751	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+ACN+2H"	43.041102
"189209"	611.32796	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+2Na-H"	44.97116
"630107"	894.50636	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+2Na-H"	44.97116
"1134102"	328.14956	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2Na-H"	44.97116
"177280"	306.167618	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+2Na"	45.978436
"619027"	447.756818	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+2Na"	45.978436
"1115929"	164.578418	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2Na"	45.978436
"1402779"	110.054704	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H+2Na"	46.985712
"1433799"	330.191146	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H+HCOOH"	47.012746
"228962"	311.20064	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+3H2O+2H"	56.04448
"1514838"	344.24319	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+IsoProp+H"	61.06479
"417807"	314.154588	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+Na+K"	61.952376
"777708"	455.743788	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+Na+K"	61.952376
"1672949"	172.565388	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Na+K"	61.952376
"257280"	630.372568	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+ACN+Na"	64.015768
"1235458"	347.194168	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+ACN+Na"	64.015768
"1712796"	347.217693	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+NH4+HCOOH"	64.039293
"1185330"	117.382018	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+3Na"	68.967654
"1655221"	352.173088	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Na+HCOOH"	68.994688
"165362"	643.27584	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+2K-H"	76.91904
"606017"	926.45424	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+2K-H"	76.91904
"1093811"	360.09744	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2K-H"	76.91904
"152814"	322.141558	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"2M+2K"	77.926316
"595534"	463.730758	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"3M+2K"	77.926316
"1076885"	180.552358	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2K"	77.926316
"1112282"	362.111992	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2K+H"	78.933592
"1346476"	362.199607	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+DMSO+H"	79.021207
"1017194"	366.238776	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2ACN+H"	83.060376
"1533132"	367.232408	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+IsoProp+Na+H"	84.054008
"997393"	183.623026	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+2ACN+2H"	84.067652
"1597364"	368.147028	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+K+HCOOH"	84.968628
"1419744"	398.178538	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+H+CF3COOH"	115.000138
"1153315"	204.136301	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+3ACN+2H"	125.094202
"1709428"	415.205085	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+NH4+CF3COOH"	132.026685
"1648360"	420.16048	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+Na+CF3COOH"	136.98208
"1580733"	436.13442	"C10403"	"Supinine;Butanoic acid 23-dihydroxy-2-(1-methylethyl)- (2357a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester (7aS-(7(2R3S)7aR))-"	"C15H25NO4"	"283.1784"	"M+K+CF3COOH"	152.95602
"804538"	862.1956	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M"	0
"987916"	843.17721	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-H2O-H"	-19.01839
"73971"	573.789790666667	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M-3H"	-3.021828
"515720"	861.188324	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M-3H"	-3.021828
"891337"	286.391257333333	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-3H"	-3.021828
"14647"	861.188324	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M-2H"	-2.014552
"452748"	1292.286124	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M-2H"	-2.014552
"826177"	430.090524	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-2H"	-2.014552
"81794"	1723.383924	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M-H"	-1.007276
"521356"	2585.579524	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M-H"	-1.007276
"898425"	861.188324	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-H"	-1.007276
"50247"	1740.410471	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M-2H+NH4"	16.019271
"488715"	2602.606071	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M-2H+NH4"	16.019271
"865419"	878.214871	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-2H+NH4"	16.019271
"33320"	1745.365866	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M-2H+Na"	20.974666
"472394"	2607.561466	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M-2H+Na"	20.974666
"857255"	883.170266	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-2H+Na"	20.974666
"1625696"	883.170266	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Na-2H"	20.974666
"98943"	879.176663	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M-H+Cl"	33.962126
"540692"	1310.274463	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M-H+Cl"	33.962126
"940042"	448.078863	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-H+Cl"	33.962126
"278241"	1759.360602	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+Cl"	34.969402
"672848"	2621.556202	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+Cl"	34.969402
"1280521"	897.165002	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Cl"	34.969402
"22347"	1761.339806	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M-2H+K"	36.948606
"465917"	2623.535406	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M-2H+K"	36.948606
"839708"	899.144206	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-2H+K"	36.948606
"1566476"	899.144206	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+K-2H"	36.948606
"954361"	907.193794	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-H+HCOOH"	44.998194
"370386"	1769.389401	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+HCOOH-H"	44.998201
"353176"	1783.405051	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+Hac-H"	59.013851
"1503103"	921.209451	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Hac-H"	59.013851
"969551"	929.175751	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-H+NaCOOH"	66.980151
"118459"	897.165002	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+2Cl"	69.938804
"559117"	1328.262802	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+2Cl"	69.938804
"1033381"	466.067202	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2Cl"	69.938804
"1254055"	941.114485	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Br"	78.918885
"1315409"	943.170472	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Cl+HCOOH"	80.974872
"1328533"	965.152429	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Cl+NaCOOH"	102.956829
"914488"	975.181186	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M-H+CF3COOH"	112.985586
"1297393"	1011.157864	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Cl+CF3COOH"	148.962264
"1367292"	827.182924	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H-2H2O"	-35.012676
"1387952"	845.1929	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H-H2O"	-17.0027
"285451"	1725.398476	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+H"	1.007276
"677142"	2587.594076	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+H"	1.007276
"1356042"	863.202876	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H"	1.007276
"130027"	863.202876	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+2H"	2.014552
"569588"	1294.300676	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+2H"	2.014552
"1044951"	432.105076	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2H"	2.014552
"208477"	575.804342666667	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+3H"	3.021828
"650225"	863.202876	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+3H"	3.021828
"1168350"	288.405809333333	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+3H"	3.021828
"434539"	1742.425023	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+NH4"	18.033823
"796262"	2604.620623	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+NH4"	18.033823
"1690040"	880.229423	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+NH4"	18.033823
"340141"	871.7161495	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+H+NH4"	19.041099
"729646"	1302.8139495	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+H+NH4"	19.041099
"1484561"	440.6183495	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H+NH4"	19.041099
"403237"	1747.380418	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+Na"	22.989218
"758765"	2609.576018	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+Na"	22.989218
"1604316"	885.184818	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Na"	22.989218
"314550"	874.193847	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+H+Na"	23.996494
"710424"	1305.291647	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+H+Na"	23.996494
"1464244"	443.096047	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H+Na"	23.996494
"1055666"	295.733123333333	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2H+Na"	25.00377
"1259528"	895.229086	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+CH3OH+H"	33.033486
"379929"	1763.354358	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+K"	38.963158
"740195"	2625.549958	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+K"	38.963158
"1542612"	901.158758	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+K"	38.963158
"300154"	882.180817	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+H+K"	39.970434
"696221"	1313.278617	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+H+K"	39.970434
"1451863"	451.083017	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H+K"	39.970434
"236456"	1766.425026	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+ACN+H"	42.033826
"1210988"	904.229426	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+ACN+H"	42.033826
"1195597"	452.618351	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+ACN+2H"	43.041102
"191387"	1769.36236	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+2Na-H"	44.97116
"629850"	2631.55796	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+2Na-H"	44.97116
"1133355"	907.16676	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2Na-H"	44.97116
"179577"	885.184818	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+2Na"	45.978436
"618044"	1316.282618	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+2Na"	45.978436
"1118392"	454.087018	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2Na"	45.978436
"1410180"	303.060437333333	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H+2Na"	46.985712
"1433909"	909.208346	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H+HCOOH"	47.012746
"226886"	890.21784	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+3H2O+2H"	56.04448
"1513855"	923.26039	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+IsoProp+H"	61.06479
"416823"	893.171788	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+Na+K"	61.952376
"777816"	1324.269588	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+Na+K"	61.952376
"1671965"	462.073988	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Na+K"	61.952376
"259575"	1788.406968	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+ACN+Na"	64.015768
"1234474"	926.211368	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+ACN+Na"	64.015768
"1723362"	926.234893	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+NH4+HCOOH"	64.039293
"1189447"	310.387751333333	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+3Na"	68.967654
"1661890"	931.190288	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Na+HCOOH"	68.994688
"166564"	1801.31024	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+2K-H"	76.91904
"606125"	2663.50584	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+2K-H"	76.91904
"1095012"	939.11464	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2K-H"	76.91904
"152923"	901.158758	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"2M+2K"	77.926316
"594670"	1332.256558	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"3M+2K"	77.926316
"1080276"	470.060958	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2K"	77.926316
"1112391"	941.129192	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2K+H"	78.933592
"1345492"	941.216807	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+DMSO+H"	79.021207
"1017303"	945.255976	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2ACN+H"	83.060376
"1531056"	946.249608	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+IsoProp+Na+H"	84.054008
"996410"	473.131626	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+2ACN+2H"	84.067652
"1594194"	947.164228	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+K+HCOOH"	84.968628
"1419854"	977.195738	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+H+CF3COOH"	115.000138
"1153425"	493.644901	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+3ACN+2H"	125.094202
"1709538"	994.222285	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+NH4+CF3COOH"	132.026685
"1644095"	999.17768	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+Na+CF3COOH"	136.98208
"1580843"	1015.15162	"C10404"	"Sennoside A"	"C42H38O20"	"862.1956"	"M+K+CF3COOH"	152.95602
"807928"	222.0681	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M"	0
"988756"	203.04971	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-H2O-H"	-19.01839
"70801"	147.038124	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M-3H"	-3.021828
"511455"	221.060824	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M-3H"	-3.021828
"889257"	73.015424	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-3H"	-3.021828
"10018"	221.060824	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M-2H"	-2.014552
"450671"	332.094874	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M-2H"	-2.014552
"828473"	110.026774	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-2H"	-2.014552
"86278"	443.128924	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M-H"	-1.007276
"524745"	665.197024	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M-H"	-1.007276
"904732"	221.060824	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-H"	-1.007276
"51087"	460.155471	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M-2H+NH4"	16.019271
"493203"	682.223571	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M-2H+NH4"	16.019271
"866259"	238.087371	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-2H+NH4"	16.019271
"33429"	465.110866	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M-2H+Na"	20.974666
"472263"	687.178966	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M-2H+Na"	20.974666
"855179"	243.042766	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-2H+Na"	20.974666
"1625806"	243.042766	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Na-2H"	20.974666
"97960"	239.049163	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M-H+Cl"	33.962126
"545175"	350.083213	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M-H+Cl"	33.962126
"935411"	128.015113	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-H+Cl"	33.962126
"279448"	479.105602	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+Cl"	34.969402
"672236"	701.173702	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+Cl"	34.969402
"1280996"	257.037502	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Cl"	34.969402
"24644"	481.084806	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M-2H+K"	36.948606
"464204"	703.152906	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M-2H+K"	36.948606
"843098"	259.016706	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-2H+K"	36.948606
"1564400"	259.016706	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+K-2H"	36.948606
"952284"	267.066294	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-H+HCOOH"	44.998194
"374870"	489.134401	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+HCOOH-H"	44.998201
"352192"	503.150051	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+Hac-H"	59.013851
"1501026"	281.081951	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Hac-H"	59.013851
"967474"	289.048251	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-H+NaCOOH"	66.980151
"116381"	257.037502	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+2Cl"	69.938804
"560318"	368.071552	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+2Cl"	69.938804
"1030211"	146.003452	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2Cl"	69.938804
"1253800"	300.986985	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Br"	78.918885
"1316613"	303.042972	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Cl+HCOOH"	80.974872
"1331922"	325.024929	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Cl+NaCOOH"	102.956829
"918972"	335.053686	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M-H+CF3COOH"	112.985586
"1297501"	371.030364	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Cl+CF3COOH"	148.962264
"1374571"	187.055424	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H-2H2O"	-35.012676
"1389155"	205.0654	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H-H2O"	-17.0027
"285561"	445.143476	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+H"	1.007276
"677980"	667.211576	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+H"	1.007276
"1357246"	223.075376	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H"	1.007276
"130137"	223.075376	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+2H"	2.014552
"570791"	334.109426	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+2H"	2.014552
"1040687"	112.041326	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2H"	2.014552
"212962"	149.052676	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+3H"	3.021828
"654711"	223.075376	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+3H"	3.021828
"1175022"	75.029976	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+3H"	3.021828
"435015"	462.170023	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+NH4"	18.033823
"796737"	684.238123	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+NH4"	18.033823
"1693069"	240.101923	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+NH4"	18.033823
"342803"	231.5886495	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+H+NH4"	19.041099
"731944"	342.6226995	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+H+NH4"	19.041099
"1486860"	120.5545995	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H+NH4"	19.041099
"402256"	467.125418	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+Na"	22.989218
"759971"	689.193518	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+Na"	22.989218
"1603126"	245.057318	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Na"	22.989218
"315310"	234.066347	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+H+Na"	23.996494
"709562"	345.100397	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+H+Na"	23.996494
"1464354"	123.032297	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H+Na"	23.996494
"1059786"	82.35729	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2H+Na"	25.00377
"1260006"	255.101586	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+CH3OH+H"	33.033486
"380041"	483.099358	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+K"	38.963158
"740307"	705.167458	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+K"	38.963158
"1544182"	261.031258	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+K"	38.963158
"300993"	242.053317	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+H+K"	39.970434
"695967"	353.087367	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+H+K"	39.970434
"1453067"	131.019267	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H+K"	39.970434
"239481"	486.170026	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+ACN+H"	42.033826
"1211094"	264.101926	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+ACN+H"	42.033826
"1197529"	132.554601	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+ACN+2H"	43.041102
"190032"	489.10736	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+2Na-H"	44.97116
"631418"	711.17546	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+2Na-H"	44.97116
"1134196"	267.03926	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2Na-H"	44.97116
"176399"	245.057318	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+2Na"	45.978436
"621433"	356.091368	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+2Na"	45.978436
"1119473"	134.023268	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2Na"	45.978436
"1408465"	89.684604	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H+2Na"	46.985712
"1438393"	269.080846	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H+HCOOH"	47.012746
"230277"	250.09034	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+3H2O+2H"	56.04448
"1517246"	283.13289	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+IsoProp+H"	61.06479
"420213"	253.044288	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+Na+K"	61.952376
"776834"	364.078338	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+Na+K"	61.952376
"1675355"	142.010238	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Na+K"	61.952376
"260779"	508.151968	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+ACN+Na"	64.015768
"1235677"	286.083868	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+ACN+Na"	64.015768
"1724565"	286.107393	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+NH4+HCOOH"	64.039293
"1193447"	97.011918	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+3Na"	68.967654
"1663093"	291.062788	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Na+HCOOH"	68.994688
"166673"	521.05524	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+2K-H"	76.91904
"607327"	743.12334	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+2K-H"	76.91904
"1097307"	298.98714	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2K-H"	76.91904
"155096"	261.031258	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"2M+2K"	77.926316
"596118"	372.065308	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"3M+2K"	77.926316
"1082571"	149.997208	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2K"	77.926316
"1114568"	301.001692	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2K+H"	78.933592
"1347789"	301.089307	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+DMSO+H"	79.021207
"1017413"	305.128476	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2ACN+H"	83.060376
"1531166"	306.122108	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+IsoProp+Na+H"	84.054008
"998707"	153.067876	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+2ACN+2H"	84.067652
"1594304"	307.036728	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+K+HCOOH"	84.968628
"1422151"	337.068238	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+H+CF3COOH"	115.000138
"1157909"	173.581151	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+3ACN+2H"	125.094202
"1708555"	354.094785	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+NH4+CF3COOH"	132.026685
"1639832"	359.05018	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+Na+CF3COOH"	136.98208
"1580953"	375.02412	"C10405"	"Tectoquinone;2-Methylanthraquinone"	"C15H10O2"	"222.0681"	"M+K+CF3COOH"	152.95602
"802935"	294.0376	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M"	0
"987043"	275.01921	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-H2O-H"	-19.01839
"70911"	195.017790666667	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M-3H"	-3.021828
"511565"	293.030324	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M-3H"	-3.021828
"889367"	97.0052573333333	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-3H"	-3.021828
"10128"	293.030324	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M-2H"	-2.014552
"450781"	440.049124	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M-2H"	-2.014552
"825303"	146.011524	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-2H"	-2.014552
"82379"	587.067924	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M-H"	-1.007276
"524855"	881.105524	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M-H"	-1.007276
"900468"	293.030324	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-H"	-1.007276
"50103"	604.094471	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M-2H+NH4"	16.019271
"492219"	898.132071	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M-2H+NH4"	16.019271
"866372"	310.056871	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-2H+NH4"	16.019271
"34638"	609.049866	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M-2H+Na"	20.974666
"476390"	903.087466	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M-2H+Na"	20.974666
"857475"	315.012266	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-2H+Na"	20.974666
"1627009"	315.012266	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Na-2H"	20.974666
"99163"	311.018663	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M-H+Cl"	33.962126
"544191"	458.037463	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M-H+Cl"	33.962126
"933334"	163.999863	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-H+Cl"	33.962126
"279556"	623.044602	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+Cl"	34.969402
"672708"	917.082202	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+Cl"	34.969402
"1281470"	329.007002	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Cl"	34.969402
"24752"	625.023806	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M-2H+K"	36.948606
"465408"	919.061406	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M-2H+K"	36.948606
"842116"	330.986206	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-2H+K"	36.948606
"1566698"	330.986206	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+K-2H"	36.948606
"953487"	339.035794	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-H+HCOOH"	44.998194
"373887"	633.073401	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+HCOOH-H"	44.998201
"355584"	647.089051	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+Hac-H"	59.013851
"1502227"	353.051451	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Hac-H"	59.013851
"967584"	361.017751	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-H+NaCOOH"	66.980151
"113940"	329.007002	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+2Cl"	69.938804
"560428"	476.025802	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+2Cl"	69.938804
"1028134"	181.988202	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2Cl"	69.938804
"1253183"	372.956485	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Br"	78.918885
"1316723"	375.012472	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Cl+HCOOH"	80.974872
"1330940"	396.994429	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Cl+NaCOOH"	102.956829
"918720"	407.023186	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M-H+CF3COOH"	112.985586
"1297611"	442.999864	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Cl+CF3COOH"	148.962264
"1375774"	259.024924	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H-2H2O"	-35.012676
"1388172"	277.0349	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H-H2O"	-17.0027
"285305"	589.082476	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+H"	1.007276
"677727"	883.120076	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+H"	1.007276
"1354441"	295.044876	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H"	1.007276
"131340"	295.044876	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+2H"	2.014552
"570901"	442.063676	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+2H"	2.014552
"1042983"	148.026076	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2H"	2.014552
"214166"	197.032342666667	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+3H"	3.021828
"654820"	295.044876	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+3H"	3.021828
"1172947"	99.0198093333333	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+3H"	3.021828
"435126"	606.109023	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+NH4"	18.033823
"796847"	900.146623	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+NH4"	18.033823
"1692450"	312.071423	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+NH4"	18.033823
"343643"	303.5581495	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+H+NH4"	19.041099
"735335"	450.5769495	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+H+NH4"	19.041099
"1488064"	156.5393495	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H+NH4"	19.041099
"404553"	611.064418	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+Na"	22.989218
"765548"	905.102018	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+Na"	22.989218
"1603806"	317.026818	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Na"	22.989218
"316761"	306.035847	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+H+Na"	23.996494
"710644"	453.054647	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+H+Na"	23.996494
"1466651"	159.017047	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H+Na"	23.996494
"1058803"	106.347123333333	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2H+Na"	25.00377
"1265948"	327.071086	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+CH3OH+H"	33.033486
"382338"	627.038358	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+K"	38.963158
"749894"	921.075958	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+K"	38.963158
"1544656"	333.000758	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+K"	38.963158
"301469"	314.022817	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+H+K"	39.970434
"699357"	461.041617	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+H+K"	39.970434
"1454272"	167.004017	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H+K"	39.970434
"239593"	630.109026	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+ACN+H"	42.033826
"1212297"	336.071426	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+ACN+H"	42.033826
"1198371"	168.539351	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+ACN+2H"	43.041102
"190994"	633.04636	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+2Na-H"	44.97116
"631892"	927.08396	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+2Na-H"	44.97116
"1134669"	339.00876	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2Na-H"	44.97116
"175778"	317.026818	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+2Na"	45.978436
"616073"	464.045618	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+2Na"	45.978436
"1123958"	170.008018	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2Na"	45.978436
"1408574"	113.674437333333	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H+2Na"	46.985712
"1437409"	341.050346	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H+HCOOH"	47.012746
"231480"	322.05984	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+3H2O+2H"	56.04448
"1515169"	355.10239	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+IsoProp+H"	61.06479
"415949"	325.013788	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+Na+K"	61.952376
"776943"	472.032588	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+Na+K"	61.952376
"1674372"	177.994988	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Na+K"	61.952376
"259796"	652.090968	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+ACN+Na"	64.015768
"1232506"	358.053368	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+ACN+Na"	64.015768
"1723583"	358.076893	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+NH4+HCOOH"	64.039293
"1188936"	121.001751333333	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+3Na"	68.967654
"1659923"	363.032288	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Na+HCOOH"	68.994688
"162409"	664.99424	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+2K-H"	76.91904
"606343"	959.03184	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+2K-H"	76.91904
"1097417"	370.95664	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2K-H"	76.91904
"154233"	333.000758	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"2M+2K"	77.926316
"591608"	480.019558	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"3M+2K"	77.926316
"1077213"	185.981958	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2K"	77.926316
"1111515"	372.971192	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2K+H"	78.933592
"1347899"	373.058807	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+DMSO+H"	79.021207
"1015336"	377.097976	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2ACN+H"	83.060376
"1531275"	378.091608	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+IsoProp+Na+H"	84.054008
"996630"	189.052626	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+2ACN+2H"	84.067652
"1591134"	379.006228	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+K+HCOOH"	84.968628
"1418251"	409.037738	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+H+CF3COOH"	115.000138
"1153645"	209.565901	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+3ACN+2H"	125.094202
"1701010"	426.064285	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+NH4+CF3COOH"	132.026685
"1636660"	431.01968	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+Na+CF3COOH"	136.98208
"1581063"	446.99362	"C10406"	"Tricrozarin A"	"C13H10O8"	"294.0376"	"M+K+CF3COOH"	152.95602
"802194"	314.079	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M"	0
"987883"	295.06061	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"73208"	208.378724	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"511675"	313.071724	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"889477"	103.685724	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"12426"	313.071724	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"451985"	470.111224	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"824320"	156.032224	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"87591"	627.150724	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"523142"	941.229724	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"902765"	313.071724	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"49848"	644.177271	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"493423"	958.256271	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"866118"	330.098271	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"34384"	649.132666	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"476500"	963.211666	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"856492"	335.053666	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1627119"	335.053666	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"99637"	331.060063	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"542115"	488.099563	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"937820"	174.020563	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"280031"	663.127402	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"673179"	977.206402	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1282308"	349.048402	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"24862"	665.106606	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"464425"	979.185606	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"842225"	351.027606	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1565715"	351.027606	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"951410"	359.077194	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"372903"	673.156201	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"353506"	687.171851	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1502338"	373.092851	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"966601"	381.059151	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"113320"	349.048402	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"561632"	506.087902	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1028244"	192.008902	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1252197"	392.997885	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1317562"	395.053872	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1331050"	417.035829	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"922110"	427.064586	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1295534"	463.041264	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1370416"	279.066324	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1384998"	297.0763	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"286508"	629.165276	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"678563"	943.244276	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1356738"	315.086276	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H"	1.007276
"129991"	315.086276	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"571012"	472.125776	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1044186"	158.046776	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"214276"	210.393276	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"654930"	315.086276	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1174878"	105.700276	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"438151"	646.191823	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"796230"	960.270823	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1693290"	332.112823	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"340839"	323.5995495	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"733261"	480.6390495	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1488175"	166.5600495	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"404662"	651.147218	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"765658"	965.226218	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1603428"	337.068218	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"319423"	326.077247	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"709293"	483.116747	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1466761"	169.037747	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1058913"	113.02759	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1264965"	347.112486	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"383541"	667.121158	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"750004"	981.200158	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1545495"	353.042158	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+K"	38.963158
"303765"	334.064217	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"699466"	491.103717	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1452195"	177.024717	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"241888"	670.191826	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1214596"	356.112826	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1198843"	178.560051	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"191713"	673.12916	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"632002"	987.20816	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1134415"	359.05016	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"175524"	337.068218	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"615090"	494.107718	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1122975"	180.028718	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1404311"	120.354904	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1434238"	361.091746	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"228309"	342.10124	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1514185"	375.14379	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"416058"	345.055188	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"774867"	502.094688	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1675575"	188.015688	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"259905"	692.173768	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1232616"	378.094768	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1719318"	378.118293	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1189046"	127.682218	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1661126"	383.073688	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"162519"	705.07704	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"607547"	1019.15604	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1095339"	390.99804	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"152156"	353.042158	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"591716"	510.081658	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1078417"	196.002658	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1114663"	393.012592	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1345821"	393.100207	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1013258"	397.139376	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1530293"	398.133008	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"994917"	199.073326	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1593431"	399.047628	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1420185"	429.079138	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1153755"	219.586601	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1701120"	446.105685	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1636770"	451.06108	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1581173"	467.03502	"C10407"	"Ventinone A;145-Trihydroxy-7-methoxy-23-dimethylanthraquinone"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"808258"	381.2151	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M"	0
"987264"	362.19671	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H2O-H"	-19.01839
"73318"	253.136124	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-3H"	-3.021828
"513973"	380.207824	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-3H"	-3.021828
"890681"	126.064424	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-3H"	-3.021828
"13629"	380.207824	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H"	-2.014552
"452095"	570.815374	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H"	-2.014552
"828804"	189.600274	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H"	-2.014552
"87701"	761.422924	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-H"	-1.007276
"522888"	1142.638024	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-H"	-1.007276
"900689"	380.207824	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H"	-1.007276
"49958"	778.449471	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H+NH4"	16.019271
"493533"	1159.664571	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H+NH4"	16.019271
"867324"	397.234371	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H+NH4"	16.019271
"34859"	783.404866	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H+Na"	20.974666
"479893"	1164.619966	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H+Na"	20.974666
"857695"	402.189766	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H+Na"	20.974666
"1626135"	402.189766	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na-2H"	20.974666
"99383"	398.196163	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-H+Cl"	33.962126
"541131"	588.803713	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-H+Cl"	33.962126
"937929"	207.588613	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+Cl"	33.962126
"277589"	797.399602	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Cl"	34.969402
"671469"	1178.614702	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+Cl"	34.969402
"1280227"	416.184502	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl"	34.969402
"24973"	799.378806	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H+K"	36.948606
"463441"	1180.593906	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H+K"	36.948606
"840148"	418.163706	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H+K"	36.948606
"1565822"	418.163706	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K-2H"	36.948606
"949332"	426.213294	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+HCOOH"	44.998194
"369734"	807.428401	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+HCOOH-H"	44.998201
"349970"	821.444051	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Hac-H"	59.013851
"1499899"	440.228951	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Hac-H"	59.013851
"964889"	448.195251	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+NaCOOH"	66.980151
"116347"	416.184502	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2Cl"	69.938804
"560649"	606.792052	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2Cl"	69.938804
"1027989"	225.576952	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2Cl"	69.938804
"1253401"	460.133985	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Br"	78.918885
"1315850"	462.189972	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl+HCOOH"	80.974872
"1328974"	484.171929	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl+NaCOOH"	102.956829
"916023"	494.200686	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+CF3COOH"	112.985586
"1293458"	530.177364	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl+CF3COOH"	148.962264
"1370525"	346.202424	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H-2H2O"	-35.012676
"1385838"	364.2124	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H-H2O"	-17.0027
"285159"	763.437476	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H"	1.007276
"678677"	1144.652576	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H"	1.007276
"1354661"	382.222376	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H"	1.007276
"128282"	382.222376	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2H"	2.014552
"572216"	572.829926	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2H"	2.014552
"1048672"	191.614826	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2H"	2.014552
"215479"	255.150676	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+3H"	3.021828
"656132"	382.222376	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+3H"	3.021828
"1175352"	128.078976	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+3H"	3.021828
"437531"	780.464023	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+NH4"	18.033823
"794153"	1161.679123	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+NH4"	18.033823
"1692670"	399.248923	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+NH4"	18.033823
"339854"	390.7356495	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H+NH4"	19.041099
"734461"	581.3431995	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H+NH4"	19.041099
"1488283"	200.1280995	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+NH4"	19.041099
"403680"	785.419418	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Na"	22.989218
"765769"	1166.634518	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+Na"	22.989218
"1602889"	404.204318	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na"	22.989218
"318440"	393.213347	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H+Na"	23.996494
"711954"	583.820897	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H+Na"	23.996494
"1465778"	202.605797	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+Na"	23.996494
"1063396"	135.40629	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2H+Na"	25.00377
"1267261"	414.248586	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+CH3OH+H"	33.033486
"383651"	801.393358	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+K"	38.963158
"752301"	1182.608458	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+K"	38.963158
"1546699"	420.178258	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K"	38.963158
"304968"	401.200317	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H+K"	39.970434
"696297"	591.807867	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H+K"	39.970434
"1455584"	210.592767	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+K"	39.970434
"241997"	804.464026	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+ACN+H"	42.033826
"1216893"	423.248926	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+ACN+H"	42.033826
"1205151"	212.128101	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+ACN+2H"	43.041102
"198020"	807.40136	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2Na-H"	44.97116
"632479"	1188.61646	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2Na-H"	44.97116
"1133068"	426.18626	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2Na-H"	44.97116
"173444"	404.204318	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2Na"	45.978436
"613732"	594.811868	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2Na"	45.978436
"1120896"	213.596768	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2Na"	45.978436
"1404421"	142.733604	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+2Na"	46.985712
"1430699"	428.227846	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+HCOOH"	47.012746
"222950"	409.23734	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+3H2O+2H"	56.04448
"1510284"	442.27989	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+IsoProp+H"	61.06479
"411060"	412.191288	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Na+K"	61.952376
"772788"	602.798838	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+Na+K"	61.952376
"1670214"	221.583738	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na+K"	61.952376
"256368"	826.445968	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+ACN+Na"	64.015768
"1233819"	445.230868	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+ACN+Na"	64.015768
"1721613"	445.254393	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+NH4+HCOOH"	64.039293
"1191342"	150.060918	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+3Na"	68.967654
"1662329"	450.209788	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na+HCOOH"	68.994688
"167004"	839.34924	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2K-H"	76.91904
"608751"	1220.56434	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2K-H"	76.91904
"1095449"	458.13414	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2K-H"	76.91904
"152266"	420.178258	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2K"	77.926316
"590732"	610.785808	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2K"	77.926316
"1081806"	229.570708	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2K"	77.926316
"1112829"	460.148692	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2K+H"	78.933592
"1345934"	460.236307	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+DMSO+H"	79.021207
"1015556"	464.275476	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2ACN+H"	83.060376
"1532588"	465.269108	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+IsoProp+Na+H"	84.054008
"997943"	232.641376	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2ACN+2H"	84.067652
"1593541"	466.183728	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K+HCOOH"	84.968628
"1421388"	496.215238	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+CF3COOH"	115.000138
"1152772"	253.154651	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+3ACN+2H"	125.094202
"1699043"	513.241785	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+NH4+CF3COOH"	132.026685
"1634815"	518.19718	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na+CF3COOH"	136.98208
"1581283"	534.17112	"C10408"	"Symlandine;7-Angelyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K+CF3COOH"	152.95602
"802901"	381.2151	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M"	0
"987740"	362.19671	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H2O-H"	-19.01839
"75982"	253.136124	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-3H"	-3.021828
"515906"	380.207824	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-3H"	-3.021828
"892980"	126.064424	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-3H"	-3.021828
"13986"	380.207824	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H"	-2.014552
"451112"	570.815374	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H"	-2.014552
"830008"	189.600274	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H"	-2.014552
"88906"	761.422924	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-H"	-1.007276
"524091"	1142.638024	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-H"	-1.007276
"900069"	380.207824	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H"	-1.007276
"50797"	778.449471	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H+NH4"	16.019271
"495830"	1159.664571	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H+NH4"	16.019271
"867073"	397.234371	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H+NH4"	16.019271
"37159"	783.404866	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H+Na"	20.974666
"483285"	1164.619966	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H+Na"	20.974666
"855619"	402.189766	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H+Na"	20.974666
"1626245"	402.189766	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na-2H"	20.974666
"102773"	398.196163	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-H+Cl"	33.962126
"541241"	588.803713	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-H+Cl"	33.962126
"936946"	207.588613	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+Cl"	33.962126
"274420"	797.399602	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Cl"	34.969402
"670121"	1178.614702	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+Cl"	34.969402
"1279610"	416.184502	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl"	34.969402
"23259"	799.378806	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M-2H+K"	36.948606
"466831"	1180.593906	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M-2H+K"	36.948606
"839891"	418.163706	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-2H+K"	36.948606
"1563745"	418.163706	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K-2H"	36.948606
"949443"	426.213294	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+HCOOH"	44.998194
"368751"	807.428401	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+HCOOH-H"	44.998201
"354821"	821.444051	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Hac-H"	59.013851
"1502561"	440.228951	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Hac-H"	59.013851
"964999"	448.195251	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+NaCOOH"	66.980151
"117917"	416.184502	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2Cl"	69.938804
"558573"	606.792052	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2Cl"	69.938804
"1032839"	225.576952	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2Cl"	69.938804
"1246951"	460.133985	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Br"	78.918885
"1313773"	462.189972	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl+HCOOH"	80.974872
"1321428"	484.171929	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl+NaCOOH"	102.956829
"916133"	494.200686	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M-H+CF3COOH"	112.985586
"1293568"	530.177364	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Cl+CF3COOH"	148.962264
"1370999"	346.202424	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H-2H2O"	-35.012676
"1384854"	364.2124	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H-H2O"	-17.0027
"290012"	763.437476	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H"	1.007276
"680246"	1144.652576	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H"	1.007276
"1356595"	382.222376	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H"	1.007276
"131673"	382.222376	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2H"	2.014552
"573421"	572.829926	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2H"	2.014552
"1045502"	191.614826	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2H"	2.014552
"217413"	255.150676	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+3H"	3.021828
"650775"	382.222376	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+3H"	3.021828
"1176556"	128.078976	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+3H"	3.021828
"438371"	780.464023	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+NH4"	18.033823
"798637"	1161.679123	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+NH4"	18.033823
"1693511"	399.248923	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+NH4"	18.033823
"342883"	390.7356495	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H+NH4"	19.041099
"734572"	581.3431995	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H+NH4"	19.041099
"1490581"	200.1280995	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+NH4"	19.041099
"403792"	785.419418	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Na"	22.989218
"765516"	1166.634518	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+Na"	22.989218
"1604139"	404.204318	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na"	22.989218
"315146"	393.213347	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H+Na"	23.996494
"708783"	583.820897	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H+Na"	23.996494
"1462606"	202.605797	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+Na"	23.996494
"1058036"	135.40629	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2H+Na"	25.00377
"1260808"	414.248586	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+CH3OH+H"	33.033486
"382668"	801.393358	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+K"	38.963158
"742569"	1182.608458	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+K"	38.963158
"1545716"	420.178258	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K"	38.963158
"307264"	401.200317	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+H+K"	39.970434
"697500"	591.807867	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+H+K"	39.970434
"1449133"	210.592767	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+K"	39.970434
"243201"	804.464026	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+ACN+H"	42.033826
"1217004"	423.248926	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+ACN+H"	42.033826
"1198697"	212.128101	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+ACN+2H"	43.041102
"191568"	807.40136	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2Na-H"	44.97116
"634046"	1188.61646	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2Na-H"	44.97116
"1133543"	426.18626	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2Na-H"	44.97116
"175374"	404.204318	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2Na"	45.978436
"613355"	594.811868	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2Na"	45.978436
"1118818"	213.596768	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2Na"	45.978436
"1407810"	142.733604	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+2Na"	46.985712
"1435917"	428.227846	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+HCOOH"	47.012746
"224519"	409.23734	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+3H2O+2H"	56.04448
"1509665"	442.27989	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+IsoProp+H"	61.06479
"409717"	412.191288	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+Na+K"	61.952376
"771806"	602.798838	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+Na+K"	61.952376
"1670324"	221.583738	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na+K"	61.952376
"255385"	826.445968	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+ACN+Na"	64.015768
"1231376"	445.230868	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+ACN+Na"	64.015768
"1721725"	445.254393	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+NH4+HCOOH"	64.039293
"1185985"	150.060918	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+3Na"	68.967654
"1654784"	450.209788	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na+HCOOH"	68.994688
"167113"	839.34924	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2K-H"	76.91904
"606674"	1220.56434	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2K-H"	76.91904
"1097746"	458.13414	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2K-H"	76.91904
"149095"	420.178258	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"2M+2K"	77.926316
"594123"	610.785808	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"3M+2K"	77.926316
"1079728"	229.570708	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2K"	77.926316
"1110750"	460.148692	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2K+H"	78.933592
"1347135"	460.236307	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+DMSO+H"	79.021207
"1014573"	464.275476	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2ACN+H"	83.060376
"1531606"	465.269108	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+IsoProp+Na+H"	84.054008
"996960"	232.641376	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+2ACN+2H"	84.067652
"1594743"	466.183728	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K+HCOOH"	84.968628
"1419311"	496.215238	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+H+CF3COOH"	115.000138
"1155070"	253.154651	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+3ACN+2H"	125.094202
"1705713"	513.241785	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+NH4+CF3COOH"	132.026685
"1635897"	518.19718	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+Na+CF3COOH"	136.98208
"1581393"	534.17112	"C10409"	"Symphytine;7-Tiglyl-9-(-)-viridiflorylretronecine"	"C20H31NO6"	"381.2151"	"M+K+CF3COOH"	152.95602
"802403"	335.1733	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M"	0
"987484"	316.15491	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-H2O-H"	-19.01839
"74630"	222.441590666667	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M-3H"	-3.021828
"514923"	334.166024	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M-3H"	-3.021828
"892360"	110.717157333333	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-3H"	-3.021828
"10569"	334.166024	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M-2H"	-2.014552
"452315"	501.752674	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M-2H"	-2.014552
"829025"	166.579374	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-2H"	-2.014552
"89016"	669.339324	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M-H"	-1.007276
"523108"	1004.512624	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M-H"	-1.007276
"899813"	334.166024	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-H"	-1.007276
"50543"	686.365871	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M-2H+NH4"	16.019271
"493753"	1021.539171	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M-2H+NH4"	16.019271
"869371"	351.192571	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-2H+NH4"	16.019271
"39456"	691.321266	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M-2H+Na"	20.974666
"482302"	1026.494566	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M-2H+Na"	20.974666
"856821"	356.147966	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-2H+Na"	20.974666
"1629635"	356.147966	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Na-2H"	20.974666
"106163"	352.154363	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M-H+Cl"	33.962126
"541350"	519.741013	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M-H+Cl"	33.962126
"934868"	184.567713	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-H+Cl"	33.962126
"273803"	705.316002	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+Cl"	34.969402
"669139"	1040.489302	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+Cl"	34.969402
"1279721"	370.142702	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Cl"	34.969402
"23369"	707.295206	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M-2H+K"	36.948606
"466941"	1042.468506	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M-2H+K"	36.948606
"840001"	372.121906	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-2H+K"	36.948606
"1562760"	372.121906	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+K-2H"	36.948606
"947728"	380.171494	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-H+HCOOH"	44.998194
"370687"	715.344801	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+HCOOH-H"	44.998201
"352744"	729.360451	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+Hac-H"	59.013851
"1498297"	394.187151	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Hac-H"	59.013851
"966933"	402.153451	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-H+NaCOOH"	66.980151
"118027"	370.142702	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+2Cl"	69.938804
"554310"	537.729352	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+2Cl"	69.938804
"1023471"	202.556052	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2Cl"	69.938804
"1244876"	414.092185	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Br"	78.918885
"1308417"	416.148172	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Cl+HCOOH"	80.974872
"1322269"	438.130129	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Cl+NaCOOH"	102.956829
"915516"	448.158886	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M-H+CF3COOH"	112.985586
"1295867"	484.135564	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Cl+CF3COOH"	148.962264
"1370747"	300.160624	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H-2H2O"	-35.012676
"1388612"	318.1706	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H-H2O"	-17.0027
"290122"	671.353876	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+H"	1.007276
"683638"	1006.527176	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+H"	1.007276
"1355613"	336.180576	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H"	1.007276
"131784"	336.180576	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+2H"	2.014552
"577906"	503.767226	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+2H"	2.014552
"1047799"	168.593926	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2H"	2.014552
"216795"	224.456142666667	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+3H"	3.021828
"653073"	336.180576	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+3H"	3.021828
"1175573"	112.731709333333	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+3H"	3.021828
"438846"	688.380423	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+NH4"	18.033823
"796560"	1023.553723	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+NH4"	18.033823
"1690705"	353.207123	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+NH4"	18.033823
"340076"	344.6938495	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+H+NH4"	19.041099
"735777"	512.2804995	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+H+NH4"	19.041099
"1489596"	177.1071995	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H+NH4"	19.041099
"406088"	693.335818	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+Na"	22.989218
"768787"	1028.509118	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+Na"	22.989218
"1607530"	358.162518	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Na"	22.989218
"318661"	347.171547	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+H+Na"	23.996494
"712173"	514.758197	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+H+Na"	23.996494
"1471464"	179.584897	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H+Na"	23.996494
"1059242"	120.059023333333	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2H+Na"	25.00377
"1266387"	368.206786	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+CH3OH+H"	33.033486
"383872"	709.309758	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+K"	38.963158
"750334"	1044.483058	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+K"	38.963158
"1551294"	374.136458	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+K"	38.963158
"305190"	355.158517	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+H+K"	39.970434
"696518"	522.745167	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+H+K"	39.970434
"1448876"	187.571867	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H+K"	39.970434
"238208"	712.380426	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+ACN+H"	42.033826
"1214928"	377.207126	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+ACN+H"	42.033826
"1204277"	189.107201	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+ACN+2H"	43.041102
"200063"	715.31776	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+2Na-H"	44.97116
"631969"	1050.49106	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+2Na-H"	44.97116
"1134379"	380.14446	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2Na-H"	44.97116
"176574"	358.162518	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+2Na"	45.978436
"613708"	525.749168	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+2Na"	45.978436
"1116607"	190.575868	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2Na"	45.978436
"1399894"	127.386337333333	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H+2Na"	46.985712
"1432382"	382.186046	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H+HCOOH"	47.012746
"222441"	363.19554	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+3H2O+2H"	56.04448
"1509775"	396.23809	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+IsoProp+H"	61.06479
"413107"	366.149488	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+Na+K"	61.952376
"775197"	533.736138	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+Na+K"	61.952376
"1668247"	198.562838	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Na+K"	61.952376
"255861"	734.362368	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+ACN+Na"	64.015768
"1229665"	399.189068	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+ACN+Na"	64.015768
"1720742"	399.212593	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+NH4+HCOOH"	64.039293
"1185002"	134.713651333333	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+3Na"	68.967654
"1657082"	404.167988	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Na+HCOOH"	68.994688
"167224"	747.26564	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+2K-H"	76.91904
"610794"	1082.43894	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+2K-H"	76.91904
"1094576"	412.09234	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2K-H"	76.91904
"149205"	374.136458	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"2M+2K"	77.926316
"594233"	541.723108	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"3M+2K"	77.926316
"1080933"	206.549808	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2K"	77.926316
"1113048"	414.106892	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2K+H"	78.933592
"1348340"	414.194507	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+DMSO+H"	79.021207
"1015777"	418.233676	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2ACN+H"	83.060376
"1536089"	419.227308	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+IsoProp+Na+H"	84.054008
"998163"	209.620476	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+2ACN+2H"	84.067652
"1591573"	420.141928	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+K+HCOOH"	84.968628
"1418327"	450.173438	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+H+CF3COOH"	115.000138
"1157366"	230.133751	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+3ACN+2H"	125.094202
"1706916"	467.199985	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+NH4+CF3COOH"	132.026685
"1638193"	472.15538	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+Na+CF3COOH"	136.98208
"1581503"	488.12932	"C10410"	"Triangularine;6-Angelyl-9-sarracinylretronecine"	"C18H25NO5"	"335.1733"	"M+K+CF3COOH"	152.95602
"805308"	199.1208	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M"	0
"989756"	180.10241	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-H2O-H"	-19.01839
"77657"	131.739924	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M-3H"	-3.021828
"516486"	198.113524	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M-3H"	-3.021828
"895267"	65.366324	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-3H"	-3.021828
"13959"	198.113524	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M-2H"	-2.014552
"452425"	297.673924	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M-2H"	-2.014552
"832172"	98.553124	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-2H"	-2.014552
"86938"	397.234324	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M-H"	-1.007276
"527591"	596.355124	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M-H"	-1.007276
"900290"	198.113524	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-H"	-1.007276
"48950"	414.260871	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M-2H+NH4"	16.019271
"490580"	613.381671	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M-2H+NH4"	16.019271
"878228"	215.140071	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-2H+NH4"	16.019271
"37379"	419.216266	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M-2H+Na"	20.974666
"486221"	618.337066	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M-2H+Na"	20.974666
"860211"	220.095466	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-2H+Na"	20.974666
"1627558"	220.095466	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Na-2H"	20.974666
"100806"	216.101863	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M-H+Cl"	33.962126
"535991"	315.662263	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M-H+Cl"	33.962126
"929509"	116.541463	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-H+Cl"	33.962126
"276829"	433.211002	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+Cl"	34.969402
"669614"	632.331802	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+Cl"	34.969402
"1282382"	234.090202	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Cl"	34.969402
"23479"	435.190206	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M-2H+K"	36.948606
"465957"	634.311006	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M-2H+K"	36.948606
"844853"	236.069406	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-2H+K"	36.948606
"1567250"	236.069406	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+K-2H"	36.948606
"951850"	244.118994	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-H+HCOOH"	44.998194
"370070"	443.239801	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+HCOOH-H"	44.998201
"353951"	457.255451	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+Hac-H"	59.013851
"1503875"	258.134651	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Hac-H"	59.013851
"965950"	266.100951	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-H+NaCOOH"	66.980151
"116677"	234.090202	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+2Cl"	69.938804
"557698"	333.650602	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+2Cl"	69.938804
"1031601"	134.529802	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2Cl"	69.938804
"1250449"	278.039685	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Br"	78.918885
"1313262"	280.095672	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Cl+HCOOH"	80.974872
"1326019"	302.077629	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Cl+NaCOOH"	102.956829
"918537"	312.106386	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M-H+CF3COOH"	112.985586
"1295981"	348.083064	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Cl+CF3COOH"	148.962264
"1374143"	164.108124	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H-2H2O"	-35.012676
"1392733"	182.1181	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H-H2O"	-17.0027
"298488"	399.248876	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+H"	1.007276
"688123"	598.369676	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+H"	1.007276
"1363380"	200.128076	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H"	1.007276
"140644"	200.128076	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+2H"	2.014552
"580204"	299.688476	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+2H"	2.014552
"1047909"	100.567676	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2H"	2.014552
"219621"	133.754476	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+3H"	3.021828
"658287"	200.128076	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+3H"	3.021828
"1178197"	67.380876	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+3H"	3.021828
"439322"	416.275423	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+NH4"	18.033823
"800681"	615.396223	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+NH4"	18.033823
"1696772"	217.154623	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+NH4"	18.033823
"344926"	208.6413495	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+H+NH4"	19.041099
"735888"	308.2017495	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+H+NH4"	19.041099
"1491897"	109.0809495	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H+NH4"	19.041099
"406200"	421.230818	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+Na"	22.989218
"767195"	620.351618	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+Na"	22.989218
"1610921"	222.110018	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Na"	22.989218
"322051"	211.119047	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+H+Na"	23.996494
"714469"	310.679447	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+H+Na"	23.996494
"1467196"	111.558647	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H+Na"	23.996494
"1063731"	74.70819	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2H+Na"	25.00377
"1272378"	232.154286	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+CH3OH+H"	33.033486
"389452"	437.204758	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+K"	38.963158
"750447"	636.325558	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+K"	38.963158
"1549219"	238.083958	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+K"	38.963158
"309675"	219.106017	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+H+K"	39.970434
"702096"	318.666417	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+H+K"	39.970434
"1453727"	119.545617	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H+K"	39.970434
"241236"	440.275426	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+ACN+H"	42.033826
"1218318"	241.154626	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+ACN+H"	42.033826
"1204388"	121.080951	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+ACN+2H"	43.041102
"195071"	443.21276	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+2Na-H"	44.97116
"633538"	642.33356	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+2Na-H"	44.97116
"1133399"	244.09196	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2Na-H"	44.97116
"173649"	222.110018	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+2Na"	45.978436
"612979"	321.670418	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+2Na"	45.978436
"1116474"	122.549618	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2Na"	45.978436
"1398792"	82.035504	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H+2Na"	46.985712
"1435774"	246.133546	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H+HCOOH"	47.012746
"226563"	227.14304	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+3H2O+2H"	56.04448
"1514626"	260.18559	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+IsoProp+H"	61.06479
"409326"	230.096988	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+Na+K"	61.952376
"774215"	329.657388	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+Na+K"	61.952376
"1669455"	130.536588	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Na+K"	61.952376
"253422"	462.257368	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+ACN+Na"	64.015768
"1228316"	263.136568	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+ACN+Na"	64.015768
"1728023"	263.160093	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+NH4+HCOOH"	64.039293
"1187300"	89.362818	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+3Na"	68.967654
"1659381"	268.115488	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Na+HCOOH"	68.994688
"171588"	475.16064	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+2K-H"	76.91904
"609081"	674.28144	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+2K-H"	76.91904
"1093593"	276.03984	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2K-H"	76.91904
"151503"	238.083958	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"2M+2K"	77.926316
"594343"	337.644358	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"3M+2K"	77.926316
"1078856"	138.523558	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2K"	77.926316
"1112065"	278.054392	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2K+H"	78.933592
"1342982"	278.142007	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+DMSO+H"	79.021207
"1013700"	282.181176	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2ACN+H"	83.060376
"1535106"	283.174808	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+IsoProp+Na+H"	84.054008
"996086"	141.594226	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+2ACN+2H"	84.067652
"1591683"	284.089428	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+K+HCOOH"	84.968628
"1418437"	314.120938	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+H+CF3COOH"	115.000138
"1157476"	162.107501	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+3ACN+2H"	125.094202
"1700466"	331.147485	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+NH4+CF3COOH"	132.026685
"1638304"	336.10288	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+Na+CF3COOH"	136.98208
"1581613"	352.07682	"C10411"	"Tussilagine"	"C10H17NO3"	"199.1208"	"M+K+CF3COOH"	152.95602
"811982"	357.1788	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M"	0
"987705"	338.16041	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-H2O-H"	-19.01839
"76311"	237.111924	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M-3H"	-3.021828
"515505"	356.171524	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M-3H"	-3.021828
"885655"	118.052324	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-3H"	-3.021828
"12977"	356.171524	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M-2H"	-2.014552
"453266"	534.760924	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M-2H"	-2.014552
"825964"	177.582124	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-2H"	-2.014552
"89239"	713.350324	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M-H"	-1.007276
"528799"	1070.529124	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M-H"	-1.007276
"906601"	356.171524	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-H"	-1.007276
"60976"	730.376871	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M-2H+NH4"	16.019271
"496162"	1087.555671	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M-2H+NH4"	16.019271
"873964"	373.198071	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-2H+NH4"	16.019271
"41866"	735.332266	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M-2H+Na"	20.974666
"485800"	1092.511066	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M-2H+Na"	20.974666
"857041"	378.153466	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-2H+Na"	20.974666
"1621107"	378.153466	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Na-2H"	20.974666
"97636"	374.159863	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M-H+Cl"	33.962126
"541573"	552.749263	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M-H+Cl"	33.962126
"935089"	195.570463	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-H+Cl"	33.962126
"272552"	749.327002	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+Cl"	34.969402
"669722"	1106.505802	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+Cl"	34.969402
"1287716"	392.148202	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Cl"	34.969402
"29788"	751.306206	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M-2H+K"	36.948606
"467162"	1108.485006	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M-2H+K"	36.948606
"844964"	394.127406	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-2H+K"	36.948606
"1566994"	394.127406	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+K-2H"	36.948606
"954149"	402.176994	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-H+HCOOH"	44.998194
"372363"	759.355801	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+HCOOH-H"	44.998201
"354059"	773.371451	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+Hac-H"	59.013851
"1502892"	416.192651	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Hac-H"	59.013851
"965330"	424.158951	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-H+NaCOOH"	66.980151
"115693"	392.148202	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+2Cl"	69.938804
"558900"	570.737602	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+2Cl"	69.938804
"1032805"	213.558802	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2Cl"	69.938804
"1251289"	436.097685	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Br"	78.918885
"1308270"	438.153672	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Cl+HCOOH"	80.974872
"1331600"	460.135629	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Cl+NaCOOH"	102.956829
"919379"	470.164386	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M-H+CF3COOH"	112.985586
"1291348"	506.141064	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Cl+CF3COOH"	148.962264
"1367050"	322.166124	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H-2H2O"	-35.012676
"1388468"	340.1761	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H-H2O"	-17.0027
"295810"	715.364876	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+H"	1.007276
"689326"	1072.543676	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+H"	1.007276
"1363489"	358.186076	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H"	1.007276
"139659"	358.186076	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+2H"	2.014552
"578126"	536.775476	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+2H"	2.014552
"1049113"	179.596676	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2H"	2.014552
"219445"	239.126476	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+3H"	3.021828
"657669"	358.186076	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+3H"	3.021828
"1177496"	120.066876	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+3H"	3.021828
"435786"	732.391423	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+NH4"	18.033823
"796781"	1089.570223	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+NH4"	18.033823
"1695298"	375.212623	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+NH4"	18.033823
"342482"	366.6993495	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+H+NH4"	19.041099
"734904"	545.2887495	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+H+NH4"	19.041099
"1491641"	188.1099495	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H+NH4"	19.041099
"406308"	737.346818	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+Na"	22.989218
"765119"	1094.525618	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+Na"	22.989218
"1613218"	380.168018	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Na"	22.989218
"324347"	369.177047	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+H+Na"	23.996494
"716769"	547.766447	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+H+Na"	23.996494
"1469494"	190.587647	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H+Na"	23.996494
"1063841"	127.39419	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2H+Na"	25.00377
"1263335"	390.212286	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+CH3OH+H"	33.033486
"386282"	753.320758	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+K"	38.963158
"753473"	1110.499558	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+K"	38.963158
"1550421"	396.141958	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+K"	38.963158
"303586"	377.164017	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+H+K"	39.970434
"692726"	555.753417	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+H+K"	39.970434
"1448371"	198.574617	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H+K"	39.970434
"239158"	756.391426	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+ACN+H"	42.033826
"1214055"	399.212626	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+ACN+H"	42.033826
"1200124"	200.109951	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+ACN+2H"	43.041102
"192994"	759.32876	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+2Na-H"	44.97116
"632554"	1116.50756	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+2Na-H"	44.97116
"1133629"	402.14996	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2Na-H"	44.97116
"174987"	380.168018	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+2Na"	45.978436
"614181"	558.757418	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+2Na"	45.978436
"1119512"	201.578618	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2Na"	45.978436
"1399388"	134.721504	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H+2Na"	46.985712
"1442446"	404.191546	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H+HCOOH"	47.012746
"227767"	385.20104	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+3H2O+2H"	56.04448
"1510726"	418.24359	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+IsoProp+H"	61.06479
"414424"	388.154988	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+Na+K"	61.952376
"773232"	566.744388	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+Na+K"	61.952376
"1669563"	209.565588	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Na+K"	61.952376
"266864"	778.373368	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+ACN+Na"	64.015768
"1240870"	421.194568	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+ACN+Na"	64.015768
"1727973"	421.218093	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+NH4+HCOOH"	64.039293
"1190692"	142.048818	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+3Na"	68.967654
"1662771"	426.173488	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Na+HCOOH"	68.994688
"169631"	791.27664	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+2K-H"	76.91904
"609191"	1148.45544	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+2K-H"	76.91904
"1092610"	434.09784	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2K-H"	76.91904
"147238"	396.141958	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"2M+2K"	77.926316
"588986"	574.731358	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"3M+2K"	77.926316
"1074592"	217.552558	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2K"	77.926316
"1104522"	436.112392	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2K+H"	78.933592
"1342001"	436.200007	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+DMSO+H"	79.021207
"1010531"	440.239176	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2ACN+H"	83.060376
"1530845"	441.232808	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+IsoProp+Na+H"	84.054008
"992920"	220.623226	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+2ACN+2H"	84.067652
"1587908"	442.147428	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+K+HCOOH"	84.968628
"1418552"	472.178938	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+H+CF3COOH"	115.000138
"1148109"	241.136501	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+3ACN+2H"	125.094202
"1699485"	489.205485	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+NH4+CF3COOH"	132.026685
"1646073"	494.16088	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+Na+CF3COOH"	136.98208
"1581723"	510.13482	"C10412"	"Uplandicine;7-Acetyl-9-echimidinylretronecine"	"C17H27NO7"	"357.1788"	"M+K+CF3COOH"	152.95602
"802612"	351.1682	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M"	0
"988181"	332.14981	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-H2O-H"	-19.01839
"75693"	233.104857333333	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M-3H"	-3.021828
"513429"	350.160924	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M-3H"	-3.021828
"885765"	116.048790666667	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-3H"	-3.021828
"9807"	350.160924	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M-2H"	-2.014552
"451554"	525.745024	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M-2H"	-2.014552
"824981"	174.576824	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-2H"	-2.014552
"89349"	701.329124	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M-H"	-1.007276
"528909"	1052.497324	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M-H"	-1.007276
"906711"	350.160924	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-H"	-1.007276
"60722"	718.355671	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M-2H+NH4"	16.019271
"496272"	1069.523871	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M-2H+NH4"	16.019271
"874074"	367.187471	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-2H+NH4"	16.019271
"44163"	723.311066	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M-2H+Na"	20.974666
"485546"	1074.479266	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M-2H+Na"	20.974666
"857151"	372.142866	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-2H+Na"	20.974666
"1627777"	372.142866	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Na-2H"	20.974666
"104306"	368.149263	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M-H+Cl"	33.962126
"538402"	543.733363	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M-H+Cl"	33.962126
"928636"	192.565163	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-H+Cl"	33.962126
"272662"	737.305802	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+Cl"	34.969402
"669468"	1088.474002	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+Cl"	34.969402
"1280048"	386.137602	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Cl"	34.969402
"28802"	739.285006	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M-2H+K"	36.948606
"465081"	1090.453206	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M-2H+K"	36.948606
"846166"	388.116806	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-2H+K"	36.948606
"1570019"	388.116806	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+K-2H"	36.948606
"952069"	396.166394	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-H+HCOOH"	44.998194
"369191"	747.334601	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+HCOOH-H"	44.998201
"353075"	761.350251	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+Hac-H"	59.013851
"1498627"	410.182051	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Hac-H"	59.013851
"961796"	418.148351	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-H+NaCOOH"	66.980151
"114710"	386.137602	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+2Cl"	69.938804
"559010"	561.721702	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+2Cl"	69.938804
"1031458"	210.553502	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2Cl"	69.938804
"1251763"	430.087085	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Br"	78.918885
"1310933"	432.143072	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Cl+HCOOH"	80.974872
"1327336"	454.125029	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Cl+NaCOOH"	102.956829
"919488"	464.153786	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M-H+CF3COOH"	112.985586
"1289999"	500.130464	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Cl+CF3COOH"	148.962264
"1367794"	316.155524	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H-2H2O"	-35.012676
"1388577"	334.1655	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H-H2O"	-17.0027
"293734"	703.343676	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+H"	1.007276
"688342"	1054.511876	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+H"	1.007276
"1362506"	352.175476	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H"	1.007276
"137582"	352.175476	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+2H"	2.014552
"576050"	527.759576	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+2H"	2.014552
"1045943"	176.591376	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2H"	2.014552
"217853"	235.119409333333	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+3H"	3.021828
"657415"	352.175476	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+3H"	3.021828
"1176633"	118.063342666667	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+3H"	3.021828
"438448"	720.370223	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+NH4"	18.033823
"795797"	1071.538423	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+NH4"	18.033823
"1696630"	369.202023	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+NH4"	18.033823
"341501"	360.6887495	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+H+NH4"	19.041099
"735380"	536.2728495	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+H+NH4"	19.041099
"1491391"	185.1046495	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H+NH4"	19.041099
"406419"	725.325618	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+Na"	22.989218
"767415"	1076.493818	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+Na"	22.989218
"1614422"	374.157418	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Na"	22.989218
"323729"	363.166447	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+H+Na"	23.996494
"717973"	538.750547	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+H+Na"	23.996494
"1471793"	187.582347	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H+Na"	23.996494
"1062858"	125.390656666667	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2H+Na"	25.00377
"1266725"	384.201686	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+CH3OH+H"	33.033486
"386392"	741.299558	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+K"	38.963158
"751760"	1092.467758	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+K"	38.963158
"1548344"	390.131358	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+K"	38.963158
"302239"	371.153417	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+H+K"	39.970434
"695753"	546.737517	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+H+K"	39.970434
"1449937"	195.569317	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H+K"	39.970434
"241455"	744.370226	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+ACN+H"	42.033826
"1214164"	393.202026	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+ACN+H"	42.033826
"1200234"	197.104651	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+ACN+2H"	43.041102
"195291"	747.30756	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+2Na-H"	44.97116
"632664"	1098.47576	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+2Na-H"	44.97116
"1133255"	396.13936	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2Na-H"	44.97116
"178376"	374.157418	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+2Na"	45.978436
"614777"	549.741518	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+2Na"	45.978436
"1119258"	198.573318	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2Na"	45.978436
"1399742"	132.717970666667	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H+2Na"	46.985712
"1441463"	398.180946	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H+HCOOH"	47.012746
"230064"	379.19044	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+3H2O+2H"	56.04448
"1511200"	412.23299	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+IsoProp+H"	61.06479
"414534"	382.144388	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+Na+K"	61.952376
"773342"	557.728488	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+Na+K"	61.952376
"1669673"	206.560288	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Na+K"	61.952376
"261664"	766.352168	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+ACN+Na"	64.015768
"1241185"	415.183968	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+ACN+Na"	64.015768
"1728287"	415.207493	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+NH4+HCOOH"	64.039293
"1187522"	140.045284666667	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+3Na"	68.967654
"1656320"	420.162888	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Na+HCOOH"	68.994688
"164274"	779.25544	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+2K-H"	76.91904
"607114"	1130.42364	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+2K-H"	76.91904
"1091627"	428.08724	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2K-H"	76.91904
"148442"	390.131358	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"2M+2K"	77.926316
"590189"	565.715458	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"3M+2K"	77.926316
"1075796"	214.547258	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2K"	77.926316
"1106819"	430.101792	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2K+H"	78.933592
"1342110"	430.189407	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+DMSO+H"	79.021207
"1012828"	434.228576	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2ACN+H"	83.060376
"1528763"	435.222208	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+IsoProp+Na+H"	84.054008
"995216"	217.617926	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+2ACN+2H"	84.067652
"1588627"	436.136828	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+K+HCOOH"	84.968628
"1419755"	466.168338	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+H+CF3COOH"	115.000138
"1148218"	238.131201	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+3ACN+2H"	125.094202
"1698501"	483.194885	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+NH4+CF3COOH"	132.026685
"1647276"	488.15028	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+Na+CF3COOH"	136.98208
"1581833"	504.12422	"C10413"	"Usaramine;Mucronatine"	"C18H25NO6"	"351.1682"	"M+K+CF3COOH"	152.95602
"805638"	268.0736	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M"	0
"985009"	249.05521	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-H2O-H"	-19.01839
"76896"	177.708457333333	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M-3H"	-3.021828
"514632"	267.066324	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M-3H"	-3.021828
"892436"	88.3505906666667	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-3H"	-3.021828
"9917"	267.066324	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M-2H"	-2.014552
"452030"	401.103124	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M-2H"	-2.014552
"828371"	133.029524	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-2H"	-2.014552
"89459"	535.139924	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M-H"	-1.007276
"530845"	803.213524	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M-H"	-1.007276
"906097"	267.066324	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-H"	-1.007276
"57193"	552.166471	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M-2H+NH4"	16.019271
"498577"	820.240071	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M-2H+NH4"	16.019271
"876014"	284.092871	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-2H+NH4"	16.019271
"42087"	557.121866	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M-2H+Na"	20.974666
"483840"	825.195466	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M-2H+Na"	20.974666
"860910"	289.048266	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-2H+Na"	20.974666
"1631170"	289.048266	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Na-2H"	20.974666
"101139"	285.054663	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M-H+Cl"	33.962126
"536325"	419.091463	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M-H+Cl"	33.962126
"930933"	151.017863	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-H+Cl"	33.962126
"272772"	571.116602	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+Cl"	34.969402
"671765"	839.190202	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+Cl"	34.969402
"1287736"	303.043002	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Cl"	34.969402
"28913"	573.095806	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M-2H+K"	36.948606
"467379"	841.169406	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M-2H+K"	36.948606
"846276"	305.022206	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-2H+K"	36.948606
"1566482"	305.022206	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+K-2H"	36.948606
"954366"	313.071794	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-H+HCOOH"	44.998194
"373677"	581.145401	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+HCOOH-H"	44.998201
"356467"	595.161051	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+Hac-H"	59.013851
"1500924"	327.087451	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Hac-H"	59.013851
"962999"	335.053751	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-H+NaCOOH"	66.980151
"121750"	303.043002	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+2Cl"	69.938804
"561311"	437.079802	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+2Cl"	69.938804
"1030112"	169.006202	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2Cl"	69.938804
"1251875"	346.992485	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Br"	78.918885
"1307763"	349.048472	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Cl+HCOOH"	80.974872
"1327447"	371.030429	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Cl+NaCOOH"	102.956829
"916320"	381.059186	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M-H+CF3COOH"	112.985586
"1294121"	417.035864	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Cl+CF3COOH"	148.962264
"1376656"	233.060924	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H-2H2O"	-35.012676
"1389780"	251.0709	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H-H2O"	-17.0027
"291656"	537.154476	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+H"	1.007276
"688453"	805.228076	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+H"	1.007276
"1365533"	269.080876	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H"	1.007276
"136599"	269.080876	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+2H"	2.014552
"576160"	403.117676	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+2H"	2.014552
"1046051"	135.044076	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2H"	2.014552
"215047"	179.723009333333	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+3H"	3.021828
"658254"	269.080876	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+3H"	3.021828
"1176015"	90.3651426666667	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+3H"	3.021828
"436735"	554.181023	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+NH4"	18.033823
"801016"	822.254623	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+NH4"	18.033823
"1696377"	286.107423	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+NH4"	18.033823
"344044"	277.5941495	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+H+NH4"	19.041099
"735491"	411.6309495	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+H+NH4"	19.041099
"1491137"	143.5573495	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H+NH4"	19.041099
"407384"	559.136418	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+Na"	22.989218
"766070"	827.210018	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+Na"	22.989218
"1614895"	291.062818	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Na"	22.989218
"325659"	280.071847	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+H+Na"	23.996494
"716261"	414.108647	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+H+Na"	23.996494
"1473362"	146.035047	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H+Na"	23.996494
"1064063"	97.6924566666667	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2H+Na"	25.00377
"1265742"	301.107086	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+CH3OH+H"	33.033486
"385410"	575.110358	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+K"	38.963158
"751507"	843.183958	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+K"	38.963158
"1549548"	307.036758	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+K"	38.963158
"302351"	288.058817	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+H+K"	39.970434
"695862"	422.095617	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+H+K"	39.970434
"1450777"	154.022017	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H+K"	39.970434
"241564"	578.181026	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+ACN+H"	42.033826
"1214273"	310.107426	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+ACN+H"	42.033826
"1203625"	155.557351	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+ACN+2H"	43.041102
"200870"	581.11836	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+2Na-H"	44.97116
"638243"	849.19196	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+2Na-H"	44.97116
"1138469"	313.04476	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2Na-H"	44.97116
"178480"	291.062818	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+2Na"	45.978436
"613465"	425.099618	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+2Na"	45.978436
"1119368"	157.026018	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2Na"	45.978436
"1399852"	105.019770666667	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H+2Na"	46.985712
"1443396"	315.086346	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H+HCOOH"	47.012746
"230174"	296.09584	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+3H2O+2H"	56.04448
"1511310"	329.13839	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+IsoProp+H"	61.06479
"414644"	299.049788	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+Na+K"	61.952376
"773816"	433.086588	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+Na+K"	61.952376
"1669783"	165.012988	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Na+K"	61.952376
"261774"	600.162968	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+ACN+Na"	64.015768
"1240444"	332.089368	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+ACN+Na"	64.015768
"1728233"	332.112893	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+NH4+HCOOH"	64.039293
"1187632"	112.347084666667	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+3Na"	68.967654
"1656430"	337.068288	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Na+HCOOH"	68.994688
"164384"	613.06624	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+2K-H"	76.91904
"607224"	881.13984	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+2K-H"	76.91904
"1092830"	344.99264	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2K-H"	76.91904
"150739"	307.036758	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"2M+2K"	77.926316
"595767"	441.073558	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"3M+2K"	77.926316
"1079186"	172.999958	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2K"	77.926316
"1109116"	347.007192	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2K+H"	78.933592
"1345500"	347.094807	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+DMSO+H"	79.021207
"1018404"	351.133976	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2ACN+H"	83.060376
"1535435"	352.127608	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+IsoProp+Na+H"	84.054008
"1001883"	176.070626	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+2ACN+2H"	84.067652
"1592013"	353.042228	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+K+HCOOH"	84.968628
"1415122"	383.073738	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+H+CF3COOH"	115.000138
"1147599"	196.583901	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+3ACN+2H"	125.094202
"1699701"	400.100285	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+NH4+CF3COOH"	132.026685
"1638636"	405.05568	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+Na+CF3COOH"	136.98208
"1581943"	421.02962	"C10414"	"Dalbergin"	"C16H12O4"	"268.0736"	"M+K+CF3COOH"	152.95602
"804654"	288.0634	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M"	0
"986941"	269.04501	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"77736"	191.034990666667	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"516930"	287.056124	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"892546"	95.0138573333333	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"11121"	287.056124	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"452871"	431.087824	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"830305"	143.024424	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"89569"	575.119524	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"530226"	863.182924	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"908029"	287.056124	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"58031"	592.146071	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"499049"	880.209471	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"876488"	304.082671	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"44385"	597.101466	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"484314"	885.164866	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"859561"	309.038066	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1632739"	309.038066	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"104529"	305.044463	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"541904"	449.076163	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"933231"	161.012763	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"279811"	611.096202	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"668595"	899.159602	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1282092"	323.032802	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"29875"	613.075406	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"464208"	901.138806	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"838000"	325.012006	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1562218"	325.012006	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"955569"	333.061594	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"372327"	621.125001	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"356576"	635.140651	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1499940"	347.077251	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"964202"	355.043551	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"121130"	323.032802	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"561422"	467.064502	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1032407"	179.001102	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1249798"	366.982285	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1313340"	369.038272	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1327557"	391.020229	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"912054"	401.048986	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1288718"	437.025664	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1369474"	253.050724	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1384784"	271.0607	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"283014"	577.134076	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"687468"	865.197476	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1355073"	289.070676	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"135616"	289.070676	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"575177"	433.102376	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1045070"	145.038976	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"216980"	193.049542666667	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"657999"	289.070676	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1172844"	97.0284093333333	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"435021"	594.160623	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"797111"	882.224023	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1696242"	306.097223	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"343547"	297.5839495	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"737303"	441.6156495	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1490517"	153.5522495	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"407248"	599.116018	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"767637"	887.179418	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1615733"	311.052618	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"325769"	300.061647	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"719285"	444.093347	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1475904"	156.029947	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1061986"	104.355723333333	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1265851"	321.096886	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"388800"	615.089958	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"749794"	903.153358	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1551843"	327.026558	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"305740"	308.048617	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"699252"	452.080317	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1451980"	164.016917	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"241675"	618.160626	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1216570"	330.097226	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1200454"	165.552251	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"198793"	621.09796	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"638353"	909.16136	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1136392"	333.03456	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"178590"	311.052618	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"615968"	455.084318	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1122757"	167.020918	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1400813"	111.683037333333	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1443142"	335.076146	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"230284"	316.08564	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1512149"	349.12819	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"414754"	319.039588	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"774290"	463.071288	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1669893"	175.007888	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"261884"	640.142568	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1239701"	352.079168	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1725796"	352.102693	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1187742"	119.010351333333	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1659820"	357.058088	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"163401"	653.04584	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"605147"	941.10924	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1096220"	364.98244	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"154130"	327.026558	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"592597"	471.058258	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1078204"	182.994858	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1110319"	366.996992	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1344517"	367.084607	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1021188"	371.123776	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1537733"	372.117408	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"1003086"	186.065526	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1594309"	373.032028	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1418878"	403.063538	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1152445"	206.578801	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1697624"	420.090085	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1636560"	425.04548	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1582053"	441.01942	"C10415"	"(-)-Dalbergioidin"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"816634"	534.1737	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M"	0
"987051"	515.15531	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-H2O-H"	-19.01839
"76388"	355.108524	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M-3H"	-3.021828
"515947"	533.166424	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M-3H"	-3.021828
"894720"	177.050624	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-3H"	-3.021828
"11233"	533.166424	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M-2H"	-2.014552
"449700"	800.253274	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M-2H"	-2.014552
"823126"	266.079574	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-2H"	-2.014552
"88585"	1067.340124	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M-H"	-1.007276
"523777"	1601.513824	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M-H"	-1.007276
"900486"	533.166424	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-H"	-1.007276
"55954"	1084.366671	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M-2H+NH4"	16.019271
"490048"	1618.540371	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M-2H+NH4"	16.019271
"864682"	550.192971	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-2H+NH4"	16.019271
"42307"	1089.322066	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M-2H+Na"	20.974666
"485149"	1623.495766	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M-2H+Na"	20.974666
"857486"	555.148366	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-2H+Na"	20.974666
"1633093"	555.148366	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Na-2H"	20.974666
"101358"	551.154763	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M-H+Cl"	33.962126
"544206"	818.241613	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M-H+Cl"	33.962126
"936625"	284.067913	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-H+Cl"	33.962126
"276276"	1103.316802	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+Cl"	34.969402
"675029"	1637.490502	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+Cl"	34.969402
"1287806"	569.143102	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Cl"	34.969402
"31083"	1105.296006	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M-2H+K"	36.948606
"468694"	1639.469706	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M-2H+K"	36.948606
"841028"	571.122306	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-2H+K"	36.948606
"1566703"	571.122306	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+K-2H"	36.948606
"950213"	579.171894	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-H+HCOOH"	44.998194
"374626"	1113.345601	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+HCOOH-H"	44.998201
"356322"	1127.361251	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+Hac-H"	59.013851
"1501145"	593.187551	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Hac-H"	59.013851
"962130"	601.153851	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-H+NaCOOH"	66.980151
"111762"	569.143102	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+2Cl"	69.938804
"550348"	836.229952	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+2Cl"	69.938804
"1022672"	302.056252	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2Cl"	69.938804
"1242983"	613.092585	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Br"	78.918885
"1304704"	615.148572	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Cl+HCOOH"	80.974872
"1322928"	637.130529	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Cl+NaCOOH"	102.956829
"913623"	647.159286	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M-H+CF3COOH"	112.985586
"1292156"	683.135964	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Cl+CF3COOH"	148.962264
"1369219"	499.161024	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H-2H2O"	-35.012676
"1385624"	517.171	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H-H2O"	-17.0027
"286403"	1069.354676	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+H"	1.007276
"681016"	1603.528376	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+H"	1.007276
"1355183"	535.180976	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H"	1.007276
"133539"	535.180976	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+2H"	2.014552
"575286"	802.267826	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+2H"	2.014552
"1047366"	268.094126	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2H"	2.014552
"218184"	357.123076	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+3H"	3.021828
"653736"	535.180976	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+3H"	3.021828
"1175142"	179.065176	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+3H"	3.021828
"432947"	1086.381223	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+NH4"	18.033823
"796859"	1620.554923	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+NH4"	18.033823
"1696972"	552.207523	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+NH4"	18.033823
"344749"	543.6942495	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+H+NH4"	19.041099
"738349"	810.7810995	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+H+NH4"	19.041099
"1492413"	276.6073995	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H+NH4"	19.041099
"407848"	1091.336618	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+Na"	22.989218
"766654"	1625.510318	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+Na"	22.989218
"1612565"	557.162918	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Na"	22.989218
"328436"	546.171947	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+H+Na"	23.996494
"721462"	813.258797	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+H+Na"	23.996494
"1476135"	279.085097	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H+Na"	23.996494
"1065374"	186.39249	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2H+Na"	25.00377
"1261585"	567.207186	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+CH3OH+H"	33.033486
"387812"	1107.310558	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+K"	38.963158
"747713"	1641.484258	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+K"	38.963158
"1548672"	573.136858	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+K"	38.963158
"300015"	554.158917	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+H+K"	39.970434
"692801"	821.245767	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+H+K"	39.970434
"1448081"	287.072067	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H+K"	39.970434
"238504"	1110.381226	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+ACN+H"	42.033826
"1212306"	576.207526	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+ACN+H"	42.033826
"1196552"	288.607401	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+ACN+2H"	43.041102
"196715"	1113.31856	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+2Na-H"	44.97116
"631535"	1647.49226	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+2Na-H"	44.97116
"1134314"	579.14486	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2Na-H"	44.97116
"176512"	557.162918	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+2Na"	45.978436
"616078"	824.249768	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+2Na"	45.978436
"1120680"	290.076068	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2Na"	45.978436
"1398852"	193.719804	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H+2Na"	46.985712
"1434138"	581.186446	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H+HCOOH"	47.012746
"224927"	562.19594	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+3H2O+2H"	56.04448
"1511165"	595.23849	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+IsoProp+H"	61.06479
"414864"	565.149888	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+Na+K"	61.952376
"772579"	832.236738	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+Na+K"	61.952376
"1670003"	298.063038	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Na+K"	61.952376
"260901"	1132.363168	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+ACN+Na"	64.015768
"1240660"	598.189468	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+ACN+Na"	64.015768
"1725778"	598.212993	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+NH4+HCOOH"	64.039293
"1185665"	201.047118	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+3Na"	68.967654
"1659930"	603.168388	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Na+HCOOH"	68.994688
"167885"	1145.26644	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+2K-H"	76.91904
"612024"	1679.44014	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+2K-H"	76.91904
"1095239"	611.09274	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2K-H"	76.91904
"150961"	573.136858	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"2M+2K"	77.926316
"591616"	840.223708	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"3M+2K"	77.926316
"1076129"	306.050008	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2K"	77.926316
"1107149"	613.107292	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2K+H"	78.933592
"1347908"	613.194907	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+DMSO+H"	79.021207
"1018624"	617.234076	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2ACN+H"	83.060376
"1533470"	618.227708	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+IsoProp+Na+H"	84.054008
"998824"	309.120676	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+2ACN+2H"	84.067652
"1594419"	619.142328	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+K+HCOOH"	84.968628
"1417895"	649.173838	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+H+CF3COOH"	115.000138
"1147819"	329.633951	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+3ACN+2H"	125.094202
"1697859"	666.200385	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+NH4+CF3COOH"	132.026685
"1635577"	671.15578	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+Na+CF3COOH"	136.98208
"1573778"	687.12972	"C10416"	"Dalpanin"	"C26H30O12"	"534.1737"	"M+K+CF3COOH"	152.95602
"816178"	394.1416	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M"	0
"986066"	375.12321	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-H2O-H"	-19.01839
"77916"	261.753790666667	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M-3H"	-3.021828
"514964"	393.134324	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M-3H"	-3.021828
"893860"	130.373257333333	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-3H"	-3.021828
"12436"	393.134324	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M-2H"	-2.014552
"448715"	590.205124	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M-2H"	-2.014552
"828703"	196.063524	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-2H"	-2.014552
"91974"	787.275924	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M-H"	-1.007276
"524981"	1181.417524	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M-H"	-1.007276
"897316"	393.134324	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-H"	-1.007276
"52784"	804.302471	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M-2H+NH4"	16.019271
"487845"	1198.444071	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M-2H+NH4"	16.019271
"867958"	410.160871	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-2H+NH4"	16.019271
"42418"	809.257866	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M-2H+Na"	20.974666
"484167"	1203.399466	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M-2H+Na"	20.974666
"854315"	415.116266	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-2H+Na"	20.974666
"1632960"	415.116266	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Na-2H"	20.974666
"101468"	411.122663	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M-H+Cl"	33.962126
"541035"	608.193463	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M-H+Cl"	33.962126
"932360"	214.051863	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-H+Cl"	33.962126
"273105"	823.252602	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+Cl"	34.969402
"675267"	1217.394202	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+Cl"	34.969402
"1287795"	429.111002	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Cl"	34.969402
"30996"	825.231806	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M-2H+K"	36.948606
"470995"	1219.373406	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M-2H+K"	36.948606
"843325"	431.090206	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-2H+K"	36.948606
"1568272"	431.090206	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+K-2H"	36.948606
"955063"	439.139794	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-H+HCOOH"	44.998194
"375466"	833.281401	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+HCOOH-H"	44.998201
"356432"	847.297051	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+Hac-H"	59.013851
"1503445"	453.155451	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Hac-H"	59.013851
"963333"	461.121751	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-H+NaCOOH"	66.980151
"118799"	429.111002	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+2Cl"	69.938804
"551433"	626.181802	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+2Cl"	69.938804
"1022296"	232.040202	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2Cl"	69.938804
"1242360"	473.060485	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Br"	78.918885
"1305298"	475.116472	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Cl+HCOOH"	80.974872
"1321582"	497.098429	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Cl+NaCOOH"	102.956829
"913368"	507.127186	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M-H+CF3COOH"	112.985586
"1290438"	543.103864	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Cl+CF3COOH"	148.962264
"1370058"	359.128924	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H-2H2O"	-35.012676
"1386462"	377.1389	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H-H2O"	-17.0027
"287610"	789.290476	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+H"	1.007276
"677846"	1183.432076	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+H"	1.007276
"1354199"	395.148876	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H"	1.007276
"132555"	395.148876	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+2H"	2.014552
"576488"	592.219676	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+2H"	2.014552
"1047474"	198.078076	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2H"	2.014552
"215375"	263.768342666667	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+3H"	3.021828
"653844"	395.148876	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+3H"	3.021828
"1173063"	132.387809333333	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+3H"	3.021828
"435241"	806.317023	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+NH4"	18.033823
"794049"	1200.458623	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+NH4"	18.033823
"1692568"	412.175423	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+NH4"	18.033823
"341580"	403.6621495	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+H+NH4"	19.041099
"735457"	600.7329495	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+H+NH4"	19.041099
"1488182"	206.5913495	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H+NH4"	19.041099
"406861"	811.272418	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+Na"	22.989218
"762388"	1205.414018	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+Na"	22.989218
"1614859"	417.130818	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Na"	22.989218
"323803"	406.139847	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+H+Na"	23.996494
"720599"	603.210647	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+H+Na"	23.996494
"1473325"	209.069047	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H+Na"	23.996494
"1063295"	139.715123333333	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2H+Na"	25.00377
"1260602"	427.175086	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+CH3OH+H"	33.033486
"384643"	827.246358	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+K"	38.963158
"745638"	1221.387958	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+K"	38.963158
"1548782"	433.104758	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+K"	38.963158
"299519"	414.126817	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+H+K"	39.970434
"692914"	611.197617	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+H+K"	39.970434
"1448191"	217.056017	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H+K"	39.970434
"237521"	830.317026	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+ACN+H"	42.033826
"1211809"	436.175426	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+ACN+H"	42.033826
"1195690"	218.591351	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+ACN+2H"	43.041102
"192451"	833.25436	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+2Na-H"	44.97116
"632011"	1227.39596	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+2Na-H"	44.97116
"1133330"	439.11276	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2Na-H"	44.97116
"174917"	417.130818	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+2Na"	45.978436
"613746"	614.201618	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+2Na"	45.978436
"1116896"	220.060018	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2Na"	45.978436
"1399324"	147.042437333333	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H+2Na"	46.985712
"1432419"	441.154346	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H+HCOOH"	47.012746
"222844"	422.16384	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+3H2O+2H"	56.04448
"1514555"	455.20639	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+IsoProp+H"	61.06479
"411692"	425.117788	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+Na+K"	61.952376
"770861"	622.188588	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+Na+K"	61.952376
"1672300"	228.046988	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Na+K"	61.952376
"258824"	852.298968	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+ACN+Na"	64.015768
"1240164"	458.157368	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+ACN+Na"	64.015768
"1724794"	458.180893	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+NH4+HCOOH"	64.039293
"1189055"	154.369751333333	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+3Na"	68.967654
"1660040"	463.136288	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Na+HCOOH"	68.994688
"164715"	865.20224	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+2K-H"	76.91904
"604275"	1259.34384	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+2K-H"	76.91904
"1093162"	471.06064	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2K-H"	76.91904
"151072"	433.104758	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"2M+2K"	77.926316
"588446"	630.175558	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"3M+2K"	77.926316
"1079518"	236.033958	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2K"	77.926316
"1106165"	473.075192	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2K+H"	78.933592
"1348018"	473.162807	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+DMSO+H"	79.021207
"1014362"	477.201976	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2ACN+H"	83.060376
"1529206"	478.195608	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+IsoProp+Na+H"	84.054008
"1000026"	239.104626	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+2ACN+2H"	84.067652
"1593440"	479.110228	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+K+HCOOH"	84.968628
"1419098"	509.141738	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+H+CF3COOH"	115.000138
"1147565"	259.617901	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+3ACN+2H"	125.094202
"1697848"	526.168285	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+NH4+CF3COOH"	132.026685
"1644434"	531.12368	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+Na+CF3COOH"	136.98208
"1573524"	547.09762	"C10417"	"Deguelin"	"C23H22O6"	"394.1416"	"M+K+CF3COOH"	152.95602
"816855"	340.1311	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M"	0
"987271"	321.11271	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"78312"	225.746790666667	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"516169"	339.123824	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"895466"	112.369757333333	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"14007"	339.123824	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"453930"	509.189374	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"832097"	169.058274	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"93545"	679.254924	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"531285"	1019.386024	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"902893"	339.123824	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"52895"	696.281471	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"495735"	1036.412571	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"869163"	356.150371	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"42529"	701.236866	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"485370"	1041.367966	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"856612"	361.105766	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1631249"	361.105766	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"101578"	357.112163	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"542239"	527.177713	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"932470"	187.046613	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"273215"	715.231602	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"674028"	1055.362702	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1288439"	375.100502	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"31377"	717.210806	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"469286"	1057.341906	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"845992"	377.079706	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1570491"	377.079706	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"957360"	385.129294	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"374117"	725.260401	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"356906"	739.276051	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1503555"	399.144951	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"966724"	407.111251	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"116726"	375.100502	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"555191"	545.166052	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1021925"	205.034952	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1242351"	419.049985	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1311485"	421.105972	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1321330"	443.087929	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"917855"	453.116686	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1294562"	489.093364	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1373816"	305.118424	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1385845"	323.1284	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"287720"	681.269476	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"677956"	1021.400576	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1355403"	341.138376	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"133757"	341.138376	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"573317"	511.203926	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1046491"	171.072826	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"217671"	227.761342666667	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"655777"	341.138376	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1173174"	114.384309333333	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"437537"	698.296023	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"796346"	1038.427123	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1693411"	358.164923	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"344242"	349.6516495	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"736296"	519.7171995	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1491939"	179.5860995	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"407944"	703.251418	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"766872"	1043.382518	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1611689"	363.120318	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"322820"	352.129347	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"715244"	522.194897	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1474168"	182.063797	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1065594"	121.711623333333	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1261807"	373.164586	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"386943"	719.225358	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"750124"	1059.356458	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1547801"	379.094258	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"301696"	360.116317	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"693389"	530.181867	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1449395"	190.050767	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"239092"	722.296026	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1214714"	382.164926	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1196775"	191.586101	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"191468"	725.23336	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"630301"	1065.36446	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1134535"	385.10226	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"175271"	363.120318	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"613132"	533.185868	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1117130"	193.054768	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1399071"	129.038937333333	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1431800"	387.143846	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"224050"	368.15334	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1515394"	401.19589	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"410710"	371.107288	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"772069"	541.172838	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1672410"	201.041738	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"255650"	744.277968	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1230546"	404.146868	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1722716"	404.170393	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1188070"	136.366251333333	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1656868"	409.125788	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"164825"	757.18124	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"612038"	1097.31234	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1092175"	417.05014	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"151180"	379.094258	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"592928"	549.159808	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1073431"	209.028708	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1106275"	419.064692	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1342661"	419.152307	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1010097"	423.191476	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1528223"	424.185108	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"996855"	212.099376	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1593550"	425.099728	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1419208"	455.131238	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1147796"	232.612651	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1697958"	472.157785	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1635796"	477.11318	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1573634"	493.08712	"C10418"	"5-Deoxykievitone;(-)-5-Deoxykievitone"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"809470"	302.079	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M"	0
"986286"	283.06061	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-H2O-H"	-19.01839
"75623"	200.378724	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M-3H"	-3.021828
"516278"	301.071724	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M-3H"	-3.021828
"893956"	99.685724	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-3H"	-3.021828
"7184"	301.071724	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M-2H"	-2.014552
"447838"	452.111224	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M-2H"	-2.014552
"826735"	150.032224	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-2H"	-2.014552
"88913"	603.150724	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M-H"	-1.007276
"529573"	905.229724	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M-H"	-1.007276
"899723"	301.071724	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-H"	-1.007276
"49724"	620.177271	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M-2H+NH4"	16.019271
"490377"	922.256271	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M-2H+NH4"	16.019271
"871457"	318.098271	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-2H+NH4"	16.019271
"36077"	625.132666	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M-2H+Na"	20.974666
"482198"	927.211666	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M-2H+Na"	20.974666
"858907"	323.053666	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-2H+Na"	20.974666
"1628438"	323.053666	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Na-2H"	20.974666
"101685"	319.060063	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M-H+Cl"	33.962126
"542345"	470.099563	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M-H+Cl"	33.962126
"930756"	168.020563	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-H+Cl"	33.962126
"273325"	639.127402	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+Cl"	34.969402
"673409"	941.206402	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+Cl"	34.969402
"1286542"	337.048402	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Cl"	34.969402
"31092"	641.106606	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M-2H+K"	36.948606
"471179"	943.185606	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M-2H+K"	36.948606
"848288"	339.027606	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-2H+K"	36.948606
"1568127"	339.027606	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+K-2H"	36.948606
"949450"	347.077194	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-H+HCOOH"	44.998194
"368758"	649.156201	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+HCOOH-H"	44.998201
"351548"	663.171851	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+Hac-H"	59.013851
"1499287"	361.092851	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Hac-H"	59.013851
"964641"	369.059151	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-H+NaCOOH"	66.980151
"115736"	337.048402	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+2Cl"	69.938804
"561494"	488.087902	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+2Cl"	69.938804
"1034307"	186.008902	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2Cl"	69.938804
"1251332"	380.997885	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Br"	78.918885
"1306130"	383.053872	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Cl+HCOOH"	80.974872
"1324719"	405.035829	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Cl+NaCOOH"	102.956829
"917965"	415.064586	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M-H+CF3COOH"	112.985586
"1294672"	451.041264	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Cl+CF3COOH"	148.962264
"1371739"	267.066324	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H-2H2O"	-35.012676
"1388142"	285.0763	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H-H2O"	-17.0027
"288923"	605.165276	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+H"	1.007276
"681346"	907.244276	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+H"	1.007276
"1362073"	303.086276	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H"	1.007276
"134961"	303.086276	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+2H"	2.014552
"575615"	454.125776	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+2H"	2.014552
"1047694"	152.046776	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2H"	2.014552
"215595"	202.393276	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+3H"	3.021828
"656980"	303.086276	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+3H"	3.021828
"1176200"	101.700276	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+3H"	3.021828
"436554"	622.191823	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+NH4"	18.033823
"797550"	924.270823	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+NH4"	18.033823
"1690603"	320.112823	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+NH4"	18.033823
"345492"	311.5995495	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+H+NH4"	19.041099
"737137"	462.6390495	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+H+NH4"	19.041099
"1490225"	160.5600495	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H+NH4"	19.041099
"407447"	627.147218	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+Na"	22.989218
"765889"	929.226218	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+Na"	22.989218
"1613986"	325.068218	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Na"	22.989218
"321836"	314.077247	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+H+Na"	23.996494
"714261"	465.116747	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+H+Na"	23.996494
"1472454"	163.037747	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H+Na"	23.996494
"1064611"	109.02759	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2H+Na"	25.00377
"1264104"	335.112486	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+CH3OH+H"	33.033486
"387052"	643.121158	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+K"	38.963158
"749140"	945.200158	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+K"	38.963158
"1546816"	341.042158	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+K"	38.963158
"303996"	322.064217	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+H+K"	39.970434
"694593"	473.103717	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+H+K"	39.970434
"1446955"	171.024717	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H+K"	39.970434
"238109"	646.191826	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+ACN+H"	42.033826
"1212638"	344.112826	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+ACN+H"	42.033826
"1195427"	172.560051	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+ACN+2H"	43.041102
"190485"	649.12916	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+2Na-H"	44.97116
"629682"	951.20816	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+2Na-H"	44.97116
"1132819"	347.05016	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2Na-H"	44.97116
"173564"	325.068218	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+2Na"	45.978436
"614212"	476.107718	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+2Na"	45.978436
"1117362"	174.028718	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2Na"	45.978436
"1398818"	116.354904	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H+2Na"	46.985712
"1433367"	349.091746	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H+HCOOH"	47.012746
"223795"	330.10124	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+3H2O+2H"	56.04448
"1512588"	363.14379	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+IsoProp+H"	61.06479
"411910"	333.055188	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+Na+K"	61.952376
"774727"	484.094688	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+Na+K"	61.952376
"1667778"	182.015688	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Na+K"	61.952376
"256124"	668.173768	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+ACN+Na"	64.015768
"1230656"	366.094768	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+ACN+Na"	64.015768
"1719544"	366.118293	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+NH4+HCOOH"	64.039293
"1187086"	123.682218	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+3Na"	68.967654
"1658070"	371.073688	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Na+HCOOH"	68.994688
"170402"	681.07704	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+2K-H"	76.91904
"608868"	983.15604	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+2K-H"	76.91904
"1092285"	378.99804	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2K-H"	76.91904
"150197"	341.042158	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"2M+2K"	77.926316
"591944"	492.081658	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"3M+2K"	77.926316
"1075363"	190.002658	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2K"	77.926316
"1106384"	381.012592	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2K+H"	78.933592
"1340947"	381.100207	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+DMSO+H"	79.021207
"1010208"	385.139376	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2ACN+H"	83.060376
"1529426"	386.133008	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+IsoProp+Na+H"	84.054008
"996965"	193.073326	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+2ACN+2H"	84.067652
"1592567"	387.047628	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+K+HCOOH"	84.968628
"1418225"	417.079138	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+H+CF3COOH"	115.000138
"1148513"	213.586601	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+3ACN+2H"	125.094202
"1699161"	434.105685	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+NH4+CF3COOH"	132.026685
"1635906"	439.06108	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+Na+CF3COOH"	136.98208
"1572651"	455.03502	"C10419"	"Ferreirin;23-Dihydro-57-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H14O6"	"302.079"	"M+K+CF3COOH"	152.95602
"809580"	432.1056	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M"	0
"986398"	413.08721	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H2O-H"	-19.01839
"77922"	287.063124	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-3H"	-3.021828
"516387"	431.098324	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-3H"	-3.021828
"893094"	143.027924	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-3H"	-3.021828
"7294"	431.098324	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H"	-2.014552
"447948"	647.151124	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H"	-2.014552
"826845"	215.045524	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H"	-2.014552
"89023"	863.203924	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-H"	-1.007276
"528590"	1295.309524	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-H"	-1.007276
"900926"	431.098324	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H"	-1.007276
"48741"	880.230471	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+NH4"	16.019271
"489394"	1312.336071	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+NH4"	16.019271
"864518"	448.124871	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+NH4"	16.019271
"35095"	885.185866	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+Na"	20.974666
"473561"	1317.291466	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+Na"	20.974666
"859017"	453.080266	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+Na"	20.974666
"1625267"	453.080266	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na-2H"	20.974666
"101795"	449.086663	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-H+Cl"	33.962126
"539175"	665.139463	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-H+Cl"	33.962126
"930502"	233.033863	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+Cl"	33.962126
"271612"	899.180602	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Cl"	34.969402
"673519"	1331.286202	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Cl"	34.969402
"1284830"	467.075002	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl"	34.969402
"30753"	901.159806	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M-2H+K"	36.948606
"465854"	1333.265406	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M-2H+K"	36.948606
"840375"	469.054206	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-2H+K"	36.948606
"1567144"	469.054206	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K-2H"	36.948606
"953935"	477.103794	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+HCOOH"	44.998194
"367776"	909.209401	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+HCOOH-H"	44.998201
"350565"	923.225051	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Hac-H"	59.013851
"1498304"	491.119451	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Hac-H"	59.013851
"961836"	499.085751	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+NaCOOH"	66.980151
"121680"	467.075002	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Cl"	69.938804
"560875"	683.127802	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Cl"	69.938804
"1032593"	251.022202	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Cl"	69.938804
"1253266"	511.024485	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Br"	78.918885
"1307333"	513.080472	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+HCOOH"	80.974872
"1324829"	535.062429	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+NaCOOH"	102.956829
"914795"	545.091186	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M-H+CF3COOH"	112.985586
"1291500"	581.067864	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Cl+CF3COOH"	148.962264
"1371119"	397.092924	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H-2H2O"	-35.012676
"1388252"	415.1029	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H-H2O"	-17.0027
"286844"	865.218476	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H"	1.007276
"684736"	1297.324076	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H"	1.007276
"1358903"	433.112876	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H"	1.007276
"136896"	433.112876	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2H"	2.014552
"577915"	649.165676	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2H"	2.014552
"1049994"	217.060076	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2H"	2.014552
"217529"	289.077676	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+3H"	3.021828
"653079"	433.112876	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+3H"	3.021828
"1174486"	145.042476	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+3H"	3.021828
"436664"	882.245023	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+NH4"	18.033823
"796566"	1314.350623	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+NH4"	18.033823
"1689620"	450.139423	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4"	18.033823
"338991"	441.6261495	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+NH4"	19.041099
"736517"	657.6789495	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+NH4"	19.041099
"1490335"	225.5733495	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+NH4"	19.041099
"406828"	887.200418	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Na"	22.989218
"768916"	1319.306018	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Na"	22.989218
"1613003"	455.094818	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na"	22.989218
"323040"	444.103847	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+Na"	23.996494
"715462"	660.156647	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+Na"	23.996494
"1474750"	228.051047	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+Na"	23.996494
"1061439"	152.36979	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2H+Na"	25.00377
"1261299"	465.139086	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+CH3OH+H"	33.033486
"384976"	903.174358	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+K"	38.963158
"749250"	1335.279958	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+K"	38.963158
"1543647"	471.068758	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K"	38.963158
"300827"	452.090817	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+H+K"	39.970434
"693247"	668.143617	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+H+K"	39.970434
"1446050"	236.038017	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+K"	39.970434
"235990"	906.245026	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+ACN+H"	42.033826
"1211289"	474.139426	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+H"	42.033826
"1194810"	237.573351	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+2H"	43.041102
"191324"	909.18236	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Na-H"	44.97116
"630884"	1341.28796	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Na-H"	44.97116
"1133660"	477.07676	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Na-H"	44.97116
"173673"	455.094818	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2Na"	45.978436
"615051"	671.147618	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2Na"	45.978436
"1117472"	239.042018	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2Na"	45.978436
"1398639"	159.697104	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+2Na"	46.985712
"1430799"	479.118346	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+HCOOH"	47.012746
"223176"	460.12784	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+3H2O+2H"	56.04448
"1510512"	493.17039	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+IsoProp+H"	61.06479
"415304"	463.081788	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+Na+K"	61.952376
"772651"	679.134588	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+Na+K"	61.952376
"1667523"	247.028988	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+K"	61.952376
"255870"	928.226968	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+ACN+Na"	64.015768
"1234047"	496.121368	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+ACN+Na"	64.015768
"1719653"	496.144893	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4+HCOOH"	64.039293
"1185010"	167.024418	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+3Na"	68.967654
"1658180"	501.100288	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+HCOOH"	68.994688
"167230"	941.13024	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2K-H"	76.91904
"607885"	1373.23584	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2K-H"	76.91904
"1094582"	509.02464	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K-H"	76.91904
"151400"	471.068758	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"2M+2K"	77.926316
"593148"	687.121558	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"3M+2K"	77.926316
"1076567"	255.015958	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K"	77.926316
"1106494"	511.039192	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2K+H"	78.933592
"1341786"	511.126807	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+DMSO+H"	79.021207
"1007524"	515.165976	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2ACN+H"	83.060376
"1525525"	516.159608	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+IsoProp+Na+H"	84.054008
"992701"	258.086626	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+2ACN+2H"	84.067652
"1587934"	517.074228	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K+HCOOH"	84.968628
"1415418"	547.105738	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+H+CF3COOH"	115.000138
"1148626"	278.599901	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+3ACN+2H"	125.094202
"1698178"	564.132285	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+NH4+CF3COOH"	132.026685
"1636016"	569.08768	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+Na+CF3COOH"	136.98208
"1572761"	585.06162	"C10420"	"Genistein 8-C-glucoside"	"C21H20O10"	"432.1056"	"M+K+CF3COOH"	152.95602
"804221"	324.1362	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M"	0
"987601"	305.11781	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-H2O-H"	-19.01839
"77669"	215.083524	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M-3H"	-3.021828
"516497"	323.128924	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M-3H"	-3.021828
"892110"	107.038124	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-3H"	-3.021828
"9591"	323.128924	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M-2H"	-2.014552
"451338"	485.197024	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M-2H"	-2.014552
"826955"	161.060824	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-2H"	-2.014552
"91319"	647.265124	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M-H"	-1.007276
"529793"	971.401324	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M-H"	-1.007276
"903223"	323.128924	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-H"	-1.007276
"47587"	664.291671	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M-2H+NH4"	16.019271
"489504"	988.427871	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M-2H+NH4"	16.019271
"865480"	340.155471	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-2H+NH4"	16.019271
"31920"	669.247066	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M-2H+Na"	20.974666
"475859"	993.383266	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M-2H+Na"	20.974666
"856940"	345.110866	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-2H+Na"	20.974666
"1627565"	345.110866	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Na-2H"	20.974666
"101906"	341.117263	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M-H+Cl"	33.962126
"541471"	503.185363	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M-H+Cl"	33.962126
"931705"	179.049163	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-H+Cl"	33.962126
"271358"	683.241802	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+Cl"	34.969402
"669254"	1007.378002	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+Cl"	34.969402
"1281658"	359.105602	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Cl"	34.969402
"28592"	685.221006	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M-2H+K"	36.948606
"467058"	1009.357206	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M-2H+K"	36.948606
"845954"	361.084806	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-2H+K"	36.948606
"1563974"	361.084806	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+K-2H"	36.948606
"949672"	369.134394	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-H+HCOOH"	44.998194
"365698"	693.270601	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+HCOOH-H"	44.998201
"348488"	707.286251	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+Hac-H"	59.013851
"1495133"	383.150051	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Hac-H"	59.013851
"961217"	391.116351	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-H+NaCOOH"	66.980151
"112671"	359.105602	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+2Cl"	69.938804
"559893"	521.173702	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+2Cl"	69.938804
"1033066"	197.037502	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2Cl"	69.938804
"1250457"	403.055085	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Br"	78.918885
"1306349"	405.111072	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Cl+HCOOH"	80.974872
"1322748"	427.093029	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Cl+NaCOOH"	102.956829
"913809"	437.121786	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M-H+CF3COOH"	112.985586
"1291610"	473.098464	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Cl+CF3COOH"	148.962264
"1368674"	289.123524	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H-2H2O"	-35.012676
"1385079"	307.1335	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H-H2O"	-17.0027
"289145"	649.279676	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+H"	1.007276
"688128"	973.415876	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+H"	1.007276
"1360108"	325.143476	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H"	1.007276
"132995"	325.143476	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+2H"	2.014552
"571463"	487.211576	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+2H"	2.014552
"1045730"	163.075376	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2H"	2.014552
"211442"	217.098076	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+3H"	3.021828
"658293"	325.143476	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+3H"	3.021828
"1174595"	109.052676	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+3H"	3.021828
"435680"	666.306223	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+NH4"	18.033823
"795583"	990.442423	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+NH4"	18.033823
"1693008"	342.170023	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+NH4"	18.033823
"340193"	333.6567495	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+H+NH4"	19.041099
"737720"	495.7248495	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+H+NH4"	19.041099
"1492351"	171.5886495	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H+NH4"	19.041099
"408039"	671.261618	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+Na"	22.989218
"769843"	995.397818	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+Na"	22.989218
"1610926"	347.125418	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Na"	22.989218
"324243"	336.134447	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+H+Na"	23.996494
"716667"	498.202547	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+H+Na"	23.996494
"1470487"	174.066347	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H+Na"	23.996494
"1062642"	116.37999	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2H+Na"	25.00377
"1262137"	357.169686	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+CH3OH+H"	33.033486
"389460"	687.235558	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+K"	38.963158
"753005"	1011.371758	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+K"	38.963158
"1543759"	363.099358	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+K"	38.963158
"300937"	344.121417	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+H+K"	39.970434
"696638"	506.189517	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+H+K"	39.970434
"1447178"	182.053317	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H+K"	39.970434
"239059"	690.306226	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+ACN+H"	42.033826
"1216140"	366.170026	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+ACN+H"	42.033826
"1196743"	183.588651	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+ACN+2H"	43.041102
"190707"	693.24356	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+2Na-H"	44.97116
"629414"	1017.37976	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+2Na-H"	44.97116
"1132314"	369.10736	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2Na-H"	44.97116
"179252"	347.125418	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+2Na"	45.978436
"613706"	509.193518	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+2Na"	45.978436
"1116478"	185.057318	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2Na"	45.978436
"1399395"	123.707304	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H+2Na"	46.985712
"1431766"	371.148946	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H+HCOOH"	47.012746
"222924"	352.15844	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+3H2O+2H"	56.04448
"1514633"	385.20099	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+IsoProp+H"	61.06479
"414320"	355.112388	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+Na+K"	61.952376
"775314"	517.180488	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+Na+K"	61.952376
"1672740"	193.044288	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Na+K"	61.952376
"260352"	712.288168	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+ACN+Na"	64.015768
"1236345"	388.151968	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+ACN+Na"	64.015768
"1723044"	388.175493	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+NH4+HCOOH"	64.039293
"1191678"	131.034618	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+3Na"	68.967654
"1656103"	393.130888	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Na+HCOOH"	68.994688
"168432"	725.19144	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+2K-H"	76.91904
"610912"	1049.32764	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+2K-H"	76.91904
"1092505"	401.05524	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2K-H"	76.91904
"150416"	363.099358	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"2M+2K"	77.926316
"595810"	525.167458	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"3M+2K"	77.926316
"1081900"	201.031258	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2K"	77.926316
"1104418"	403.069792	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2K+H"	78.933592
"1346270"	403.157407	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+DMSO+H"	79.021207
"1011523"	407.196576	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2ACN+H"	83.060376
"1526365"	408.190208	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+IsoProp+Na+H"	84.054008
"992812"	204.101926	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+2ACN+2H"	84.067652
"1588044"	409.104828	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+K+HCOOH"	84.968628
"1414676"	439.136338	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+H+CF3COOH"	115.000138
"1147394"	224.615201	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+3ACN+2H"	125.094202
"1698652"	456.162885	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+NH4+CF3COOH"	132.026685
"1634421"	461.11828	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+Na+CF3COOH"	136.98208
"1572871"	477.09222	"C10421"	"Glabridin"	"C20H20O4"	"324.1362"	"M+K+CF3COOH"	152.95602
"804331"	338.1154	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M"	0
"987710"	319.09701	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"78332"	224.402990666667	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"516607"	337.108124	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"892220"	111.697857333333	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"12982"	337.108124	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"450355"	506.165824	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"827065"	168.050424	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"91432"	675.223524	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"530268"	1013.338924	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"903332"	337.108124	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"56615"	692.250071	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"489614"	1030.365471	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"868507"	354.134671	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"32395"	697.205466	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"472320"	1035.320866	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"850002"	359.090066	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1620628"	359.090066	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"96548"	355.096463	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"539395"	524.154163	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"930722"	186.038763	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"270374"	711.200202	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"667177"	1049.315602	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1275933"	373.084802	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"28702"	713.179406	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"468262"	1051.294806	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"844971"	375.064006	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1559709"	375.064006	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"949782"	383.113594	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"366902"	721.229001	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"349691"	735.244651	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1497431"	397.129251	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"963878"	405.095551	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"113149"	373.084802	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"550637"	542.142502	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1029894"	204.027102	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1251658"	417.034285	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1310829"	419.090272	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1332701"	441.072229	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"917201"	451.100986	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1289288"	487.077664	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1367688"	303.102724	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1383163"	321.1127	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"291442"	677.238076	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"691034"	1015.353476	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1364589"	339.122676	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"138572"	339.122676	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"578131"	508.180376	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1049120"	170.064976	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"212646"	226.417542666667	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"656579"	339.122676	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1174704"	113.712409333333	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"436158"	694.264623	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"798610"	1032.380023	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1694209"	356.149223	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"342854"	347.6359495	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"738406"	516.6936495	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1490191"	178.5782495	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"408313"	699.220018	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"769633"	1037.335418	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1612129"	361.104618	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"324353"	350.113647	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"716777"	519.171347	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1467317"	181.055947	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1061659"	121.039723333333	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1265526"	371.148886	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"388842"	715.193958	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"745095"	1053.309358	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1544962"	377.078558	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"302136"	358.100617	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"695654"	527.158317	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1446315"	189.042917	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"237102"	718.264626	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1214063"	380.149226	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1195272"	190.578251	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"190818"	721.20196	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"630011"	1059.31736	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1132181"	383.08656	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"179362"	361.104618	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"613574"	530.162318	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1115634"	192.046918	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1399264"	128.367037333333	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1433698"	385.128146	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"225585"	366.13764	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1515837"	399.18019	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"413337"	369.091588	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"774331"	538.149288	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1671756"	200.033888	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"259368"	740.246568	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1234266"	402.131168	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1723154"	402.154693	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1189601"	135.694351333333	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1654026"	407.110088	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"164168"	753.14984	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"609197"	1091.26524	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1092615"	415.03444	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"155629"	377.078558	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"596404"	546.136258	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1082252"	208.020858	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1104528"	417.048992	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1343098"	417.136607	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1013819"	421.175776	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1525746"	422.169408	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"995109"	211.091526	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1588519"	423.084028	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1414418"	453.115538	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1147180"	231.604801	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1702772"	470.142085	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1644986"	475.09748	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1586103"	491.07142	"C10422"	"(-)-Glyceollin II"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"803348"	330.074	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M"	0
"982353"	311.05561	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"76063"	219.042057333333	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"515624"	329.066724	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"890143"	109.017390666667	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"7624"	329.066724	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"448278"	494.103724	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"826082"	164.029724	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"91542"	659.140724	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"530378"	989.214724	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"903442"	329.066724	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"55632"	676.167271	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"489724"	1006.241271	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"866431"	346.093271	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"31897"	681.122666	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"472551"	1011.196666	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"848893"	351.048666	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1621226"	351.048666	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"96659"	347.055063	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"539505"	512.092063	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"930832"	182.018063	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"271578"	695.117402	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"667287"	1025.191402	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1277503"	365.043402	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"26624"	697.096606	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"468372"	1027.170606	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"841799"	367.022606	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1560183"	367.022606	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"949892"	375.072194	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"367012"	705.146201	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"350895"	719.161851	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1496448"	389.087851	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"962895"	397.054151	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"112895"	365.043402	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"550215"	530.080402	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1023800"	200.006402	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1246301"	408.992885	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1310936"	411.048872	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1330626"	433.030829	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"917308"	443.059586	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1292193"	479.036264	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1367268"	295.061324	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1383108"	313.0713	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"288272"	661.155276	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"691023"	991.229276	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1366402"	331.081276	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H"	1.007276
"139048"	331.081276	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"578241"	496.118276	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1045950"	166.044276	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"212756"	221.056609333333	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"655596"	331.081276	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1174814"	111.031942666667	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"436632"	678.181823	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"800056"	1008.255823	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1691039"	348.107823	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"343695"	339.5945495	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"738465"	504.6315495	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1491394"	174.5575495	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"408434"	683.137218	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"769247"	1013.211218	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1613333"	353.063218	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"323370"	342.072247	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"714700"	507.109247	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1467427"	177.035247	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1059582"	118.359256666667	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1265636"	363.107486	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"388588"	699.111158	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"747392"	1029.185158	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1547259"	369.037158	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+K"	38.963158
"301153"	350.059217	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"695763"	515.096217	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1446668"	185.022217	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"237091"	702.181826	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1214173"	372.107826	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1195990"	186.557551	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"190076"	705.11916	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"629150"	1035.19316	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1133992"	375.04516	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"173517"	353.063218	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"613440"	518.100218	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1115772"	188.026218	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1398675"	125.686570666667	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1429909"	377.086746	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"226788"	358.09624	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1512300"	391.13879	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"412354"	361.050188	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"774440"	526.087188	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1670043"	196.013188	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"257291"	724.163768	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1234376"	394.089768	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1723264"	394.113293	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1187524"	133.013884666667	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1654136"	399.068688	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"164278"	737.06704	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"608214"	1067.14104	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1092725"	406.99304	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"150634"	369.037158	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"592383"	534.074158	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1076895"	204.000158	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1104638"	409.007592	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1341022"	409.095207	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1013929"	413.134376	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1525127"	414.128008	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"993032"	207.070826	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1588993"	415.042628	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1414652"	445.074138	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1147615"	227.584101	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1701059"	462.100685	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1645096"	467.05608	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1586213"	483.03002	"C10424"	"Hildecarpin"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"812935"	392.1988	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M"	0
"988660"	373.18041	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-H2O-H"	-19.01839
"77875"	260.458590666667	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M-3H"	-3.021828
"515735"	391.191524	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M-3H"	-3.021828
"894508"	129.725657333333	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-3H"	-3.021828
"14176"	391.191524	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M-2H"	-2.014552
"454223"	587.290924	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M-2H"	-2.014552
"829472"	195.092124	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-2H"	-2.014552
"90559"	783.390324	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M-H"	-1.007276
"530124"	1175.589124	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M-H"	-1.007276
"905739"	391.191524	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-H"	-1.007276
"53555"	800.416871	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M-2H+NH4"	16.019271
"492021"	1192.615671	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M-2H+NH4"	16.019271
"870917"	408.218071	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-2H+NH4"	16.019271
"36627"	805.372266	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M-2H+Na"	20.974666
"476188"	1197.571066	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M-2H+Na"	20.974666
"848605"	413.173466	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-2H+Na"	20.974666
"1622429"	413.173466	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Na-2H"	20.974666
"94338"	409.179863	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M-H+Cl"	33.962126
"536335"	605.279263	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M-H+Cl"	33.962126
"930213"	213.080463	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-H+Cl"	33.962126
"271688"	819.367002	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+Cl"	34.969402
"666298"	1211.565802	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+Cl"	34.969402
"1277613"	427.168202	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Cl"	34.969402
"27829"	821.346206	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M-2H+K"	36.948606
"470669"	1213.545006	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M-2H+K"	36.948606
"843000"	429.147406	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-2H+K"	36.948606
"1568678"	429.147406	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+K-2H"	36.948606
"952189"	437.196994	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-H+HCOOH"	44.998194
"368216"	829.395801	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+HCOOH-H"	44.998201
"352099"	843.411451	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+Hac-H"	59.013851
"1497651"	451.212651	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Hac-H"	59.013851
"963005"	459.178951	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-H+NaCOOH"	66.980151
"113005"	427.168202	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+2Cl"	69.938804
"552930"	623.267602	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+2Cl"	69.938804
"1023553"	231.068802	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2Cl"	69.938804
"1246411"	471.117685	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Br"	78.918885
"1312139"	473.173672	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Cl+HCOOH"	80.974872
"1332558"	495.155629	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Cl+NaCOOH"	102.956829
"922885"	505.184386	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M-H+CF3COOH"	112.985586
"1289388"	541.161064	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Cl+CF3COOH"	148.962264
"1367224"	357.186124	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H-2H2O"	-35.012676
"1385412"	375.1961	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H-H2O"	-17.0027
"291661"	785.404876	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+H"	1.007276
"689552"	1177.603676	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+H"	1.007276
"1365903"	393.206076	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H"	1.007276
"136606"	393.206076	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+2H"	2.014552
"578351"	589.305476	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+2H"	2.014552
"1047153"	197.106676	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2H"	2.014552
"211772"	262.473142666667	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+3H"	3.021828
"655706"	393.206076	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+3H"	3.021828
"1174924"	131.740209333333	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+3H"	3.021828
"434917"	802.431423	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+NH4"	18.033823
"799802"	1194.630223	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+NH4"	18.033823
"1696135"	410.232623	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+NH4"	18.033823
"344781"	401.7193495	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+H+NH4"	19.041099
"737568"	597.8187495	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+H+NH4"	19.041099
"1491504"	205.6199495	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H+NH4"	19.041099
"408124"	807.386818	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+Na"	22.989218
"767533"	1199.585618	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+Na"	22.989218
"1616359"	415.188018	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Na"	22.989218
"325667"	404.197047	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+H+Na"	23.996494
"718090"	600.296447	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+H+Na"	23.996494
"1469725"	208.097647	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H+Na"	23.996494
"1058599"	139.067523333333	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2H+Na"	25.00377
"1267934"	425.232286	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+CH3OH+H"	33.033486
"390884"	823.360758	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+K"	38.963158
"746409"	1215.559558	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+K"	38.963158
"1546275"	431.161958	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+K"	38.963158
"302356"	412.184017	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+H+K"	39.970434
"695873"	608.283417	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+H+K"	39.970434
"1448600"	216.084617	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H+K"	39.970434
"238293"	826.431426	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+ACN+H"	42.033826
"1212097"	434.232626	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+ACN+H"	42.033826
"1195981"	217.619951	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+ACN+2H"	43.041102
"188599"	829.36876	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+2Na-H"	44.97116
"628895"	1221.56756	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+2Na-H"	44.97116
"1131420"	437.16996	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2Na-H"	44.97116
"174477"	415.188018	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+2Na"	45.978436
"613916"	611.287418	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+2Na"	45.978436
"1115680"	219.088618	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2Na"	45.978436
"1398627"	146.394837333333	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H+2Na"	46.985712
"1433190"	439.211546	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H+HCOOH"	47.012746
"230178"	420.22104	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+3H2O+2H"	56.04448
"1514963"	453.26359	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+IsoProp+H"	61.06479
"412462"	423.174988	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+Na+K"	61.952376
"774550"	619.274388	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+Na+K"	61.952376
"1669789"	227.075588	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Na+K"	61.952376
"257403"	848.413368	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+ACN+Na"	64.015768
"1236674"	456.214568	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+ACN+Na"	64.015768
"1717907"	456.238093	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+NH4+HCOOH"	64.039293
"1184353"	153.722151333333	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+3Na"	68.967654
"1656434"	461.193488	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Na+HCOOH"	68.994688
"161108"	861.31664	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+2K-H"	76.91904
"610148"	1253.51544	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+2K-H"	76.91904
"1096116"	469.11784	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2K-H"	76.91904
"155730"	431.161958	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"2M+2K"	77.926316
"596019"	627.261358	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"3M+2K"	77.926316
"1081382"	235.062558	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2K"	77.926316
"1105843"	471.132392	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2K+H"	78.933592
"1345508"	471.220007	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+DMSO+H"	79.021207
"1009666"	475.259176	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2ACN+H"	83.060376
"1525603"	476.252808	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+IsoProp+Na+H"	84.054008
"992414"	238.133226	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+2ACN+2H"	84.067652
"1588741"	477.167428	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+K+HCOOH"	84.968628
"1416588"	507.198938	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+H+CF3COOH"	115.000138
"1148336"	258.646501	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+3ACN+2H"	125.094202
"1700807"	524.225485	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+NH4+CF3COOH"	132.026685
"1641926"	529.18088	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+Na+CF3COOH"	136.98208
"1586323"	545.15482	"C10425"	"Hispaglabridin A"	"C25H28O4"	"392.1988"	"M+K+CF3COOH"	152.95602
"803568"	234.0892	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M"	0
"988770"	215.07081	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-H2O-H"	-19.01839
"77988"	155.052190666667	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M-3H"	-3.021828
"516937"	233.081924	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M-3H"	-3.021828
"894740"	77.0224573333333	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-3H"	-3.021828
"14043"	233.081924	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M-2H"	-2.014552
"452873"	350.126524	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M-2H"	-2.014552
"830677"	116.037324	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-2H"	-2.014552
"85198"	467.171124	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M-H"	-1.007276
"529505"	701.260324	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M-H"	-1.007276
"906943"	233.081924	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-H"	-1.007276
"52572"	484.197671	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M-2H+NH4"	16.019271
"492131"	718.286871	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M-2H+NH4"	16.019271
"871027"	250.108471	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-2H+NH4"	16.019271
"35645"	489.153066	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M-2H+Na"	20.974666
"471965"	723.242266	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M-2H+Na"	20.974666
"848755"	255.063866	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-2H+Na"	20.974666
"1620717"	255.063866	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Na-2H"	20.974666
"99066"	251.070263	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M-H+Cl"	33.962126
"534622"	368.114863	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M-H+Cl"	33.962126
"927228"	134.025663	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-H+Cl"	33.962126
"271069"	503.147802	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+Cl"	34.969402
"665679"	737.237002	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+Cl"	34.969402
"1278815"	269.058602	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Cl"	34.969402
"26845"	505.127006	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M-2H+K"	36.948606
"470415"	739.216206	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M-2H+K"	36.948606
"840926"	271.037806	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-2H+K"	36.948606
"1560037"	271.037806	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+K-2H"	36.948606
"951204"	279.087394	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-H+HCOOH"	44.998194
"368327"	513.176601	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+HCOOH-H"	44.998201
"353302"	527.192251	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+Hac-H"	59.013851
"1497761"	293.103051	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Hac-H"	59.013851
"960927"	301.069351	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-H+NaCOOH"	66.980151
"112022"	269.058602	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+2Cl"	69.938804
"550488"	386.103202	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+2Cl"	69.938804
"1023295"	152.014002	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2Cl"	69.938804
"1242874"	313.008085	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Br"	78.918885
"1310061"	315.064072	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Cl+HCOOH"	80.974872
"1330843"	337.046029	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Cl+NaCOOH"	102.956829
"921902"	347.074786	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M-H+CF3COOH"	112.985586
"1293145"	383.051464	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Cl+CF3COOH"	148.962264
"1371668"	199.076524	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H-2H2O"	-35.012676
"1384793"	217.0865	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H-H2O"	-17.0027
"291771"	469.185676	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+H"	1.007276
"680913"	703.274876	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+H"	1.007276
"1359450"	235.096476	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H"	1.007276
"137808"	235.096476	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+2H"	2.014552
"576274"	352.141076	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+2H"	2.014552
"1049450"	118.051876	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2H"	2.014552
"210789"	157.066742666667	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+3H"	3.021828
"652536"	235.096476	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+3H"	3.021828
"1177467"	79.0370093333333	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+3H"	3.021828
"438311"	486.212223	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+NH4"	18.033823
"799792"	720.301423	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+NH4"	18.033823
"1696124"	252.123023	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+NH4"	18.033823
"344646"	243.6097495	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+H+NH4"	19.041099
"738045"	360.6543495	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+H+NH4"	19.041099
"1489792"	126.5651495	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H+NH4"	19.041099
"407625"	491.167618	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+Na"	22.989218
"769354"	725.256818	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+Na"	22.989218
"1614282"	257.078418	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Na"	22.989218
"327600"	246.087447	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+H+Na"	23.996494
"717106"	363.132047	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+H+Na"	23.996494
"1469836"	129.042847	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H+Na"	23.996494
"1058709"	86.3643233333333	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2H+Na"	25.00377
"1266952"	267.122686	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+CH3OH+H"	33.033486
"389900"	507.141558	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+K"	38.963158
"746519"	741.230758	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+K"	38.963158
"1544199"	273.052358	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+K"	38.963158
"304653"	254.074417	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+H+K"	39.970434
"698168"	371.119017	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+H+K"	39.970434
"1450895"	137.029817	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H+K"	39.970434
"238403"	510.212226	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+ACN+H"	42.033826
"1214393"	276.123026	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+ACN+H"	42.033826
"1196453"	138.565151	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+ACN+2H"	43.041102
"191146"	513.14956	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+2Na-H"	44.97116
"631798"	747.23876	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+2Na-H"	44.97116
"1136399"	279.06036	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2Na-H"	44.97116
"176409"	257.078418	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+2Na"	45.978436
"617064"	374.123018	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+2Na"	45.978436
"1115633"	140.033818	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2Na"	45.978436
"1399113"	93.6916373333333	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H+2Na"	46.985712
"1432935"	281.101946	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H+HCOOH"	47.012746
"228101"	262.11144	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+3H2O+2H"	56.04448
"1515071"	295.15399	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+IsoProp+H"	61.06479
"413666"	265.065388	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+Na+K"	61.952376
"779034"	382.109988	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+Na+K"	61.952376
"1669900"	148.020788	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Na+K"	61.952376
"257513"	532.194168	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+ACN+Na"	64.015768
"1231316"	298.104968	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+ACN+Na"	64.015768
"1719109"	298.128493	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+NH4+HCOOH"	64.039293
"1184463"	101.018951333333	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+3Na"	68.967654
"1653264"	303.083888	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Na+HCOOH"	68.994688
"159030"	545.09744	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+2K-H"	76.91904
"607340"	779.18664	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+2K-H"	76.91904
"1089666"	311.00824	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2K-H"	76.91904
"150855"	273.052358	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"2M+2K"	77.926316
"588229"	390.096958	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"3M+2K"	77.926316
"1071649"	156.007758	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2K"	77.926316
"1102672"	313.022792	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2K+H"	78.933592
"1345618"	313.110407	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+DMSO+H"	79.021207
"1018521"	317.149576	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2ACN+H"	83.060376
"1524985"	318.143208	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+IsoProp+Na+H"	84.054008
"992162"	159.078426	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+2ACN+2H"	84.067652
"1587189"	319.057828	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+K+HCOOH"	84.968628
"1414874"	349.089338	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+H+CF3COOH"	115.000138
"1150270"	179.591701	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+3ACN+2H"	125.094202
"1704197"	366.115885	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+NH4+CF3COOH"	132.026685
"1646410"	371.07128	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+Na+CF3COOH"	136.98208
"1586433"	387.04522	"C10426"	"1-Acetoxychavicol acetate"	"C13H14O4"	"234.0892"	"M+K+CF3COOH"	152.95602
"810240"	264.0998	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M"	0
"988880"	245.08141	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-H2O-H"	-19.01839
"77489"	175.059257333333	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M-3H"	-3.021828
"518022"	263.092524	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M-3H"	-3.021828
"891571"	87.0259906666667	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-3H"	-3.021828
"10145"	263.092524	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M-2H"	-2.014552
"450799"	395.142424	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M-2H"	-2.014552
"826413"	131.042624	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-2H"	-2.014552
"86401"	527.192324	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M-H"	-1.007276
"533018"	791.292124	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M-H"	-1.007276
"907053"	263.092524	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-H"	-1.007276
"52682"	544.218871	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M-2H+NH4"	16.019271
"495522"	808.318671	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M-2H+NH4"	16.019271
"870044"	280.119071	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-2H+NH4"	16.019271
"40129"	549.174266	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M-2H+Na"	20.974666
"472034"	813.274066	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M-2H+Na"	20.974666
"856398"	285.074466	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-2H+Na"	20.974666
"1624838"	285.074466	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Na-2H"	20.974666
"98083"	281.080863	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M-H+Cl"	33.962126
"535460"	413.130763	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M-H+Cl"	33.962126
"927870"	149.030963	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-H+Cl"	33.962126
"274095"	563.169002	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+Cl"	34.969402
"670892"	827.268802	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+Cl"	34.969402
"1281112"	299.069202	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Cl"	34.969402
"29870"	565.148206	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M-2H+K"	36.948606
"468703"	829.248006	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M-2H+K"	36.948606
"844315"	301.048406	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-2H+K"	36.948606
"1560147"	301.048406	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+K-2H"	36.948606
"953501"	309.097994	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-H+HCOOH"	44.998194
"374998"	573.197801	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+HCOOH-H"	44.998201
"356694"	587.213451	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+Hac-H"	59.013851
"1496778"	323.113651	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Hac-H"	59.013851
"966505"	331.079951	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-H+NaCOOH"	66.980151
"111401"	299.069202	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+2Cl"	69.938804
"550962"	431.119102	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+2Cl"	69.938804
"1023769"	167.019302	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2Cl"	69.938804
"1242616"	343.018685	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Br"	78.918885
"1310173"	345.074672	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Cl+HCOOH"	80.974872
"1333139"	367.056629	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Cl+NaCOOH"	102.956829
"925291"	377.085386	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M-H+CF3COOH"	112.985586
"1298721"	413.062064	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Cl+CF3COOH"	148.962264
"1377978"	229.087124	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H-2H2O"	-35.012676
"1384540"	247.0971	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H-H2O"	-17.0027
"291881"	529.206876	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+H"	1.007276
"684304"	793.306676	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+H"	1.007276
"1366368"	265.107076	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H"	1.007276
"139012"	265.107076	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+2H"	2.014552
"578573"	397.156976	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+2H"	2.014552
"1051505"	133.057176	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2H"	2.014552
"219284"	177.073809333333	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+3H"	3.021828
"658845"	265.107076	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+3H"	3.021828
"1177947"	89.0405426666667	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+3H"	3.021828
"437934"	546.233423	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+NH4"	18.033823
"798322"	810.333223	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+NH4"	18.033823
"1696109"	282.133623	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+NH4"	18.033823
"345002"	273.6203495	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+H+NH4"	19.041099
"738030"	405.6702495	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+H+NH4"	19.041099
"1488083"	141.5704495	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H+NH4"	19.041099
"407492"	551.188818	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+Na"	22.989218
"767392"	815.288618	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+Na"	22.989218
"1615850"	287.089018	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Na"	22.989218
"323705"	276.098047	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+H+Na"	23.996494
"713939"	408.147947	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+H+Na"	23.996494
"1468854"	144.048147	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H+Na"	23.996494
"1058819"	96.3678566666667	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2H+Na"	25.00377
"1270834"	297.133286	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+CH3OH+H"	33.033486
"392196"	567.162758	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+K"	38.963158
"748815"	831.262558	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+K"	38.963158
"1548683"	303.062958	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+K"	38.963158
"305859"	284.085017	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+H+K"	39.970434
"698279"	416.134917	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+H+K"	39.970434
"1452100"	152.035117	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H+K"	39.970434
"242889"	570.233426	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+ACN+H"	42.033826
"1215597"	306.133626	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+ACN+H"	42.033826
"1197294"	153.570451	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+ACN+2H"	43.041102
"191257"	573.17076	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+2Na-H"	44.97116
"633002"	837.27056	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+2Na-H"	44.97116
"1135415"	309.07096	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2Na-H"	44.97116
"178707"	287.089018	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+2Na"	45.978436
"619361"	419.138918	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+2Na"	45.978436
"1122867"	155.039118	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2Na"	45.978436
"1398731"	103.695170666667	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H+2Na"	46.985712
"1430980"	311.112546	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H+HCOOH"	47.012746
"226026"	292.12204	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+3H2O+2H"	56.04448
"1510810"	325.16459	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+IsoProp+H"	61.06479
"411955"	295.075988	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+Na+K"	61.952376
"773679"	427.125888	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+Na+K"	61.952376
"1673291"	163.026088	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Na+K"	61.952376
"264186"	592.215368	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+ACN+Na"	64.015768
"1234707"	328.115568	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+ACN+Na"	64.015768
"1723593"	328.139093	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+NH4+HCOOH"	64.039293
"1192229"	111.022484666667	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+3Na"	68.967654
"1657748"	333.094488	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Na+HCOOH"	68.994688
"162420"	605.11864	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+2K-H"	76.91904
"607817"	869.21844	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+2K-H"	76.91904
"1092328"	341.01884	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2K-H"	76.91904
"149873"	303.062958	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"2M+2K"	77.926316
"588339"	435.112858	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"3M+2K"	77.926316
"1072853"	171.013058	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2K"	77.926316
"1104969"	343.033392	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2K+H"	78.933592
"1347551"	343.121007	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+DMSO+H"	79.021207
"1014258"	347.160176	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2ACN+H"	83.060376
"1525091"	348.153808	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+IsoProp+Na+H"	84.054008
"994457"	174.083726	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+2ACN+2H"	84.067652
"1587016"	349.068428	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+K+HCOOH"	84.968628
"1414986"	379.099938	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+H+CF3COOH"	115.000138
"1150380"	194.597001	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+3ACN+2H"	125.094202
"1704307"	396.126485	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+NH4+CF3COOH"	132.026685
"1646520"	401.08188	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+Na+CF3COOH"	136.98208
"1586543"	417.05582	"C10427"	"1-Acetoxyeugenol acetate"	"C14H16O5"	"264.0998"	"M+K+CF3COOH"	152.95602
"807070"	148.0888	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M"	0
"988990"	129.07041	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-H2O-H"	-19.01839
"76506"	97.7185906666667	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M-3H"	-3.021828
"516064"	147.081524	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M-3H"	-3.021828
"890587"	48.3556573333333	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-3H"	-3.021828
"11347"	147.081524	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M-2H"	-2.014552
"448719"	221.125924	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M-2H"	-2.014552
"824335"	73.037124	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-2H"	-2.014552
"83231"	295.170324	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M-H"	-1.007276
"530090"	443.259124	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M-H"	-1.007276
"904978"	147.081524	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-H"	-1.007276
"53883"	312.196871	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M-2H+NH4"	16.019271
"492351"	460.285671	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M-2H+NH4"	16.019271
"870152"	164.108071	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-2H+NH4"	16.019271
"36959"	317.152266	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M-2H+Na"	20.974666
"474333"	465.241066	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M-2H+Na"	20.974666
"855414"	169.063466	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-2H+Na"	20.974666
"1622760"	169.063466	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Na-2H"	20.974666
"97100"	165.069863	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M-H+Cl"	33.962126
"539946"	239.114263	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M-H+Cl"	33.962126
"928475"	91.025463	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-H+Cl"	33.962126
"270925"	331.147002	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+Cl"	34.969402
"674772"	479.235802	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+Cl"	34.969402
"1287420"	183.058202	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Cl"	34.969402
"30344"	333.126206	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M-2H+K"	36.948606
"468813"	481.215006	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M-2H+K"	36.948606
"844426"	185.037406	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-2H+K"	36.948606
"1565725"	185.037406	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+K-2H"	36.948606
"953611"	193.086994	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-H+HCOOH"	44.998194
"371826"	341.175801	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+HCOOH-H"	44.998201
"356439"	355.191451	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+Hac-H"	59.013851
"1496887"	207.102651	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Hac-H"	59.013851
"960413"	215.068951	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-H+NaCOOH"	66.980151
"111872"	183.058202	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+2Cl"	69.938804
"552162"	257.102602	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+2Cl"	69.938804
"1022421"	109.013802	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2Cl"	69.938804
"1241998"	227.007685	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Br"	78.918885
"1309189"	229.063672	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Cl+HCOOH"	80.974872
"1332885"	251.045629	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Cl+NaCOOH"	102.956829
"922121"	261.074386	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M-H+CF3COOH"	112.985586
"1292272"	297.051064	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Cl+CF3COOH"	148.962264
"1374808"	113.076124	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H-2H2O"	-35.012676
"1383556"	131.0861	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H-H2O"	-17.0027
"291991"	297.184876	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+H"	1.007276
"690610"	445.273676	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+H"	1.007276
"1365140"	149.096076	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H"	1.007276
"138029"	149.096076	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+2H"	2.014552
"577590"	223.140476	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+2H"	2.014552
"1050761"	75.051676	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2H"	2.014552
"217569"	99.7331426666667	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+3H"	3.021828
"658955"	149.096076	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+3H"	3.021828
"1177568"	50.3702093333333	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+3H"	3.021828
"437435"	314.211423	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+NH4"	18.033823
"797339"	462.300223	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+NH4"	18.033823
"1696468"	166.122623	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+NH4"	18.033823
"344864"	157.6093495	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+H+NH4"	19.041099
"737650"	231.6537495	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+H+NH4"	19.041099
"1488193"	83.5649495	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H+NH4"	19.041099
"406877"	319.166818	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+Na"	22.989218
"764586"	467.255618	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+Na"	22.989218
"1609404"	171.078018	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Na"	22.989218
"322722"	160.087047	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+H+Na"	23.996494
"715143"	234.131447	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+H+Na"	23.996494
"1475526"	86.042647	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H+Na"	23.996494
"1060023"	57.6975233333333	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2H+Na"	25.00377
"1272119"	181.122286	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+CH3OH+H"	33.033486
"391942"	335.140758	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+K"	38.963158
"752207"	483.229558	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+K"	38.963158
"1548794"	187.051958	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+K"	38.963158
"307062"	168.074017	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+H+K"	39.970434
"699482"	242.118417	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+H+K"	39.970434
"1453304"	94.029617	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H+K"	39.970434
"239718"	338.211426	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+ACN+H"	42.033826
"1215707"	190.122626	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+ACN+H"	42.033826
"1198497"	95.564951	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+ACN+2H"	43.041102
"194648"	341.14876	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+2Na-H"	44.97116
"633112"	489.23756	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+2Na-H"	44.97116
"1135526"	193.05996	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2Na-H"	44.97116
"177724"	171.078018	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+2Na"	45.978436
"618742"	245.122418	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+2Na"	45.978436
"1121884"	97.033618	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2Na"	45.978436
"1399002"	65.0248373333333	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H+2Na"	46.985712
"1431819"	195.101546	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H+HCOOH"	47.012746
"228322"	176.11104	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+3H2O+2H"	56.04448
"1514200"	209.15359	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+IsoProp+H"	61.06479
"411700"	179.064988	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+Na+K"	61.952376
"772695"	253.109388	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+Na+K"	61.952376
"1670121"	105.020588	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Na+K"	61.952376
"257734"	360.193368	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+ACN+Na"	64.015768
"1235910"	212.104568	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+ACN+Na"	64.015768
"1724797"	212.128093	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+NH4+HCOOH"	64.039293
"1187963"	72.3521513333333	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+3Na"	68.967654
"1661138"	217.083488	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Na+HCOOH"	68.994688
"159250"	373.09664	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+2K-H"	76.91904
"607199"	521.18544	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+2K-H"	76.91904
"1092074"	225.00784	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2K-H"	76.91904
"147795"	187.051958	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"2M+2K"	77.926316
"588449"	261.096358	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"3M+2K"	77.926316
"1072962"	113.007558	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2K"	77.926316
"1105078"	227.022392	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2K+H"	78.933592
"1344745"	227.110007	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+DMSO+H"	79.021207
"1014368"	231.149176	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2ACN+H"	83.060376
"1527026"	232.142808	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+IsoProp+Na+H"	84.054008
"995659"	116.078226	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+2ACN+2H"	84.067652
"1589070"	233.057428	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+K+HCOOH"	84.968628
"1414732"	263.088938	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+H+CF3COOH"	115.000138
"1150490"	136.591501	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+3ACN+2H"	125.094202
"1704417"	280.115485	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+NH4+CF3COOH"	132.026685
"1644442"	285.07088	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+Na+CF3COOH"	136.98208
"1586653"	301.04482	"C10428"	"Anethole;t-Anethole;trans-Anethole"	"C10H12O"	"148.0888"	"M+K+CF3COOH"	152.95602
"807180"	222.0892	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M"	0
"982903"	203.07081	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-H2O-H"	-19.01839
"68959"	147.052190666667	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M-3H"	-3.021828
"515080"	221.081924	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M-3H"	-3.021828
"891787"	73.0224573333333	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-3H"	-3.021828
"12551"	221.081924	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M-2H"	-2.014552
"448829"	332.126524	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M-2H"	-2.014552
"826631"	110.037324	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-2H"	-2.014552
"83341"	443.171124	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M-H"	-1.007276
"531657"	665.260324	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M-H"	-1.007276
"900713"	221.081924	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-H"	-1.007276
"51806"	460.197671	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M-2H+NH4"	16.019271
"491368"	682.286871	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M-2H+NH4"	16.019271
"865643"	238.108471	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-2H+NH4"	16.019271
"37070"	465.153066	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M-2H+Na"	20.974666
"472251"	687.242266	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M-2H+Na"	20.974666
"855524"	243.063866	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-2H+Na"	20.974666
"1622870"	243.063866	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Na-2H"	20.974666
"94657"	239.070263	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M-H+Cl"	33.962126
"540056"	350.114863	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M-H+Cl"	33.962126
"928339"	128.025663	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-H+Cl"	33.962126
"269088"	479.147802	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+Cl"	34.969402
"673300"	701.237002	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+Cl"	34.969402
"1286558"	257.058602	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Cl"	34.969402
"27173"	481.127006	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M-2H+K"	36.948606
"468558"	703.216206	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M-2H+K"	36.948606
"844535"	259.037806	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-2H+K"	36.948606
"1569115"	259.037806	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+K-2H"	36.948606
"951533"	267.087394	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-H+HCOOH"	44.998194
"367559"	489.176601	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+HCOOH-H"	44.998201
"355820"	503.192251	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+Hac-H"	59.013851
"1496996"	281.103051	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Hac-H"	59.013851
"960277"	289.069351	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-H+NaCOOH"	66.980151
"112344"	257.058602	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+2Cl"	69.938804
"552637"	368.103202	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+2Cl"	69.938804
"1025083"	146.014002	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2Cl"	69.938804
"1243688"	301.008085	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Br"	78.918885
"1309299"	303.064072	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Cl+HCOOH"	80.974872
"1334091"	325.046029	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Cl+NaCOOH"	102.956829
"922231"	335.074786	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M-H+CF3COOH"	112.985586
"1292382"	371.051464	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Cl+CF3COOH"	148.962264
"1374918"	187.076524	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H-2H2O"	-35.012676
"1383666"	205.0865	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H-H2O"	-17.0027
"292101"	445.185676	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+H"	1.007276
"689627"	667.274876	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+H"	1.007276
"1366592"	223.096476	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H"	1.007276
"139597"	223.096476	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+2H"	2.014552
"577700"	334.141076	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+2H"	2.014552
"1050871"	112.051876	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2H"	2.014552
"217315"	149.066742666667	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+3H"	3.021828
"657973"	223.096476	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+3H"	3.021828
"1176464"	75.0370093333333	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+3H"	3.021828
"437182"	462.212223	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+NH4"	18.033823
"797084"	684.301423	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+NH4"	18.033823
"1695969"	240.123023	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+NH4"	18.033823
"344610"	231.6097495	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+H+NH4"	19.041099
"737394"	342.6543495	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+H+NH4"	19.041099
"1488303"	120.5651495	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H+NH4"	19.041099
"406620"	467.167618	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+Na"	22.989218
"766520"	689.256818	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+Na"	22.989218
"1611700"	245.078418	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Na"	22.989218
"325017"	234.087447	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+H+Na"	23.996494
"716345"	345.132047	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+H+Na"	23.996494
"1474180"	123.042847	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H+Na"	23.996494
"1059039"	82.3643233333333	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2H+Na"	25.00377
"1270933"	255.122686	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+CH3OH+H"	33.033486
"390958"	483.141558	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+K"	38.963158
"750860"	705.230758	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+K"	38.963158
"1548903"	261.052358	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+K"	38.963158
"307172"	242.074417	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+H+K"	39.970434
"701780"	353.119017	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+H+K"	39.970434
"1454506"	131.029817	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H+K"	39.970434
"240921"	486.212226	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+ACN+H"	42.033826
"1215816"	264.123026	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+ACN+H"	42.033826
"1197515"	132.565151	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+ACN+2H"	43.041102
"195851"	489.14956	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+2Na-H"	44.97116
"632129"	711.23876	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+2Na-H"	44.97116
"1134542"	267.06036	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2Na-H"	44.97116
"181114"	245.078418	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+2Na"	45.978436
"619581"	356.123018	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+2Na"	45.978436
"1123088"	134.033818	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2Na"	45.978436
"1399072"	89.6916373333333	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H+2Na"	46.985712
"1432537"	269.101946	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H+HCOOH"	47.012746
"222234"	250.11144	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+3H2O+2H"	56.04448
"1511029"	283.15399	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+IsoProp+H"	61.06479
"410348"	253.065388	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+Na+K"	61.952376
"772076"	364.109988	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+Na+K"	61.952376
"1666949"	142.020788	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Na+K"	61.952376
"255657"	508.194168	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+ACN+Na"	64.015768
"1232739"	286.104968	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+ACN+Na"	64.015768
"1721625"	286.128493	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+NH4+HCOOH"	64.039293
"1184793"	97.0189513333333	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+3Na"	68.967654
"1661248"	291.083888	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Na+HCOOH"	68.994688
"159724"	521.09744	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+2K-H"	76.91904
"607673"	743.18664	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+2K-H"	76.91904
"1095463"	299.00824	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2K-H"	76.91904
"144625"	261.052358	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"2M+2K"	77.926316
"585279"	372.096958	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"3M+2K"	77.926316
"1073072"	150.007758	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2K"	77.926316
"1105188"	301.022792	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2K+H"	78.933592
"1342668"	301.110407	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+DMSO+H"	79.021207
"1014478"	305.149576	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2ACN+H"	83.060376
"1525553"	306.143208	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+IsoProp+Na+H"	84.054008
"990786"	153.078426	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+2ACN+2H"	84.067652
"1588087"	307.057828	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+K+HCOOH"	84.968628
"1416302"	337.089338	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+H+CF3COOH"	115.000138
"1153881"	173.591701	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+3ACN+2H"	125.094202
"1707808"	354.115885	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+NH4+CF3COOH"	132.026685
"1645645"	359.07128	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+Na+CF3COOH"	136.98208
"1576922"	375.04522	"C10429"	"Apiole"	"C12H14O4"	"222.0892"	"M+K+CF3COOH"	152.95602
"807290"	208.1099	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M"	0
"986293"	189.09151	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"70162"	137.732657333333	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"514097"	207.102624	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"890804"	68.3626906666667	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"8288"	207.102624	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"448939"	311.157574	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"822368"	103.047674	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"80168"	415.212524	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"531768"	623.322424	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"900823"	207.102624	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"54103"	432.239071	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"497674"	640.348971	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"869278"	224.129171	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"34263"	437.194466	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"471999"	645.304366	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"852353"	229.084566	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1622979"	229.084566	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"95133"	225.090963	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"540166"	329.145913	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"927965"	121.036013	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"269320"	451.189202	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"673410"	659.299102	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1287276"	243.079302	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"27283"	453.168406	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"470125"	661.278306	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"843552"	245.058506	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1569225"	245.058506	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"952736"	253.108094	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"368762"	461.218001	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"358116"	475.233651	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1497106"	267.123751	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"959901"	275.090051	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"111360"	243.079302	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"551290"	347.134252	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1025193"	139.024352	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1242583"	287.028785	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1309409"	289.084772	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1335295"	311.066729	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"923434"	321.095486	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1292856"	357.072164	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1375028"	173.097224	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1383289"	191.1072	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"292211"	417.227076	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"690101"	625.336976	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1366740"	209.117176	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"138248"	209.117176	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"578904"	313.172126	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1050981"	105.062226	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"212322"	139.747209333333	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"659296"	209.117176	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1178028"	70.3772426666667	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"437655"	434.253623	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"798650"	642.363523	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1696441"	226.143723	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"342168"	217.6304495	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"736777"	321.6853995	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1488412"	113.5754995	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"405635"	439.209018	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"763714"	647.318918	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1609623"	231.099118	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"321847"	220.108147	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"714269"	324.163097	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1474288"	116.053197	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1059149"	77.7045566666667	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1271975"	241.143386	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"389975"	455.182958	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"749147"	663.292858	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1546827"	247.073058	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"308375"	228.095117	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"702619"	332.150067	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1452430"	124.040167	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"246498"	458.253626	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1213374"	250.143726	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1198351"	125.575501	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"195961"	461.19096	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"635521"	669.30086	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1137932"	253.08106	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"180495"	231.099118	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"618233"	335.154068	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1123562"	127.044168	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1398697"	85.0318706666667	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1431547"	255.122646	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"222708"	236.13214	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1510774"	269.17469	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"410822"	239.086088	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"772186"	343.141038	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1669245"	135.031138	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"256860"	480.235568	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1233942"	272.125668	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1721735"	272.149193	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1184903"	92.3591846666667	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1660264"	277.104588	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"159834"	493.13884	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"611064"	701.24874	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1096666"	285.02894	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"144735"	247.073058	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"583202"	351.128008	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1070386"	143.018108	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1103111"	287.043492	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1341683"	287.131107	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1015680"	291.170276	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1524812"	292.163908	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"991865"	146.088776	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1588317"	293.078528	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1418234"	323.110038	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1153991"	166.602051	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1707918"	340.136585	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1645755"	345.09198	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1577032"	361.06592	"C10430"	"beta-Asarone;cis-Asarone;(Z)-1-(245-Trimethoxyphenyl)-1-propene"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"807400"	342.0951	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M"	0
"984216"	323.07671	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-H2O-H"	-19.01839
"70272"	227.056124	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M-3H"	-3.021828
"512020"	341.087824	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M-3H"	-3.021828
"887635"	113.024424	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-3H"	-3.021828
"7304"	341.087824	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M-2H"	-2.014552
"446863"	512.135374	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M-2H"	-2.014552
"822478"	170.040274	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-2H"	-2.014552
"79305"	683.182924	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M-H"	-1.007276
"528597"	1025.278024	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M-H"	-1.007276
"900931"	341.087824	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-H"	-1.007276
"49839"	700.209471	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M-2H+NH4"	16.019271
"492681"	1042.304571	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M-2H+NH4"	16.019271
"866108"	358.114371	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-2H+NH4"	16.019271
"34010"	705.164866	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M-2H+Na"	20.974666
"471905"	1047.259966	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M-2H+Na"	20.974666
"850276"	363.069766	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-2H+Na"	20.974666
"1619320"	363.069766	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Na-2H"	20.974666
"94755"	359.076163	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M-H+Cl"	33.962126
"536996"	530.123713	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M-H+Cl"	33.962126
"928320"	188.028613	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-H+Cl"	33.962126
"267726"	719.159602	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+Cl"	34.969402
"668052"	1061.254702	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+Cl"	34.969402
"1279365"	377.064502	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Cl"	34.969402
"26299"	721.138806	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M-2H+K"	36.948606
"468778"	1063.233906	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M-2H+K"	36.948606
"842569"	379.043706	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-2H+K"	36.948606
"1567148"	379.043706	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+K-2H"	36.948606
"951752"	387.093294	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-H+HCOOH"	44.998194
"363405"	729.188401	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+HCOOH-H"	44.998201
"353852"	743.204051	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+Hac-H"	59.013851
"1494057"	401.108951	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Hac-H"	59.013851
"959282"	409.075251	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-H+NaCOOH"	66.980151
"111106"	377.064502	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+2Cl"	69.938804
"551031"	548.112052	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+2Cl"	69.938804
"1023116"	206.016952	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2Cl"	69.938804
"1241717"	421.013985	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Br"	78.918885
"1309519"	423.069972	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Cl+HCOOH"	80.974872
"1334067"	445.051929	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Cl+NaCOOH"	102.956829
"923544"	455.080686	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M-H+CF3COOH"	112.985586
"1292602"	491.057364	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Cl+CF3COOH"	148.962264
"1375138"	307.082424	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H-2H2O"	-35.012676
"1382991"	325.0924	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H-H2O"	-17.0027
"283206"	685.197476	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+H"	1.007276
"690213"	1027.292576	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+H"	1.007276
"1366079"	343.102376	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H"	1.007276
"138358"	343.102376	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+2H"	2.014552
"579985"	514.149926	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+2H"	2.014552
"1046719"	172.054826	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2H"	2.014552
"212432"	229.070676	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+3H"	3.021828
"651992"	343.102376	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+3H"	3.021828
"1177166"	115.038976	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+3H"	3.021828
"435578"	702.224023	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+NH4"	18.033823
"798395"	1044.319123	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+NH4"	18.033823
"1694725"	360.128923	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+NH4"	18.033823
"342276"	351.6156495	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+H+NH4"	19.041099
"734698"	522.6631995	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+H+NH4"	19.041099
"1487428"	180.5680995	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H+NH4"	19.041099
"401736"	707.179418	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+Na"	22.989218
"766009"	1049.274518	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+Na"	22.989218
"1607546"	365.084318	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Na"	22.989218
"321956"	354.093347	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+H+Na"	23.996494
"712192"	525.140897	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+H+Na"	23.996494
"1471482"	183.045797	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H+Na"	23.996494
"1058166"	122.36629	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2H+Na"	25.00377
"1270058"	375.128586	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+CH3OH+H"	33.033486
"386075"	723.153358	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+K"	38.963158
"745977"	1065.248458	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+K"	38.963158
"1546935"	381.058258	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+K"	38.963158
"305204"	362.080317	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+H+K"	39.970434
"697624"	533.127867	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+H+K"	39.970434
"1448165"	191.032767	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H+K"	39.970434
"240047"	726.224026	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+ACN+H"	42.033826
"1210239"	384.128926	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+ACN+H"	42.033826
"1194402"	192.568101	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+ACN+2H"	43.041102
"190968"	729.16136	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+2Na-H"	44.97116
"628826"	1071.25646	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+2Na-H"	44.97116
"1132210"	387.06626	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2Na-H"	44.97116
"174771"	365.084318	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+2Na"	45.978436
"616154"	536.131868	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+2Na"	45.978436
"1116378"	194.036768	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2Na"	45.978436
"1399415"	129.693604	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H+2Na"	46.985712
"1430305"	389.107846	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H+HCOOH"	47.012746
"220267"	370.11734	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+3H2O+2H"	56.04448
"1512342"	403.15989	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+IsoProp+H"	61.06479
"409475"	373.071288	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+Na+K"	61.952376
"771931"	544.118838	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+Na+K"	61.952376
"1668261"	202.023738	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Na+K"	61.952376
"258063"	748.205968	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+ACN+Na"	64.015768
"1235145"	406.110868	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+ACN+Na"	64.015768
"1721845"	406.134393	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+NH4+HCOOH"	64.039293
"1180638"	137.020918	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+3Na"	68.967654
"1651257"	411.089788	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Na+HCOOH"	68.994688
"159578"	761.10924	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+2K-H"	76.91904
"599136"	1103.20434	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+2K-H"	76.91904
"1088392"	419.01414	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2K-H"	76.91904
"143022"	381.058258	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"2M+2K"	77.926316
"582577"	552.105808	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"3M+2K"	77.926316
"1068913"	210.010708	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2K"	77.926316
"1100787"	421.028692	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2K+H"	78.933592
"1340700"	421.116307	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+DMSO+H"	79.021207
"1012510"	425.155476	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2ACN+H"	83.060376
"1524431"	426.149108	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+IsoProp+Na+H"	84.054008
"991005"	213.081376	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+2ACN+2H"	84.067652
"1587576"	427.063728	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+K+HCOOH"	84.968628
"1416158"	457.095238	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+H+CF3COOH"	115.000138
"1154101"	233.594651	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+3ACN+2H"	125.094202
"1708028"	474.121785	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+NH4+CF3COOH"	132.026685
"1645865"	479.07718	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+Na+CF3COOH"	136.98208
"1577142"	495.05112	"C10431"	"Caffeic acid 3-glucoside"	"C15H18O9"	"342.0951"	"M+K+CF3COOH"	152.95602
"807510"	338.1002	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M"	0
"984326"	319.08181	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-H2O-H"	-19.01839
"70382"	224.392857333333	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M-3H"	-3.021828
"511037"	337.092924	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M-3H"	-3.021828
"889931"	111.692790666667	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-3H"	-3.021828
"8508"	337.092924	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M-2H"	-2.014552
"446973"	506.143024	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M-2H"	-2.014552
"824777"	168.042824	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-2H"	-2.014552
"82579"	675.193124	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M-H"	-1.007276
"528707"	1013.293324	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M-H"	-1.007276
"901041"	337.092924	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-H"	-1.007276
"51406"	692.219671	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M-2H+NH4"	16.019271
"493883"	1030.319871	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M-2H+NH4"	16.019271
"870591"	354.119471	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-2H+NH4"	16.019271
"31760"	697.175066	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M-2H+Na"	20.974666
"471720"	1035.275266	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M-2H+Na"	20.974666
"851480"	359.074866	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-2H+Na"	20.974666
"1618865"	359.074866	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Na-2H"	20.974666
"94988"	355.081263	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M-H+Cl"	33.962126
"540383"	524.131363	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M-H+Cl"	33.962126
"929523"	186.031163	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-H+Cl"	33.962126
"269173"	711.169802	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+Cl"	34.969402
"667069"	1049.270002	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+Cl"	34.969402
"1278382"	373.069602	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Cl"	34.969402
"19847"	713.149006	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M-2H+K"	36.948606
"465970"	1051.249206	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M-2H+K"	36.948606
"843771"	375.048806	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-2H+K"	36.948606
"1566165"	375.048806	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+K-2H"	36.948606
"945300"	383.098394	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-H+HCOOH"	44.998194
"362420"	721.198601	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+HCOOH-H"	44.998201
"350681"	735.214251	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+Hac-H"	59.013851
"1495138"	397.114051	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Hac-H"	59.013851
"960486"	405.080351	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-H+NaCOOH"	66.980151
"110315"	373.069602	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+2Cl"	69.938804
"551139"	542.119702	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+2Cl"	69.938804
"1023586"	204.019502	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2Cl"	69.938804
"1243530"	417.019085	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Br"	78.918885
"1307442"	419.075072	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Cl+HCOOH"	80.974872
"1335514"	441.057029	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Cl+NaCOOH"	102.956829
"923654"	451.085786	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M-H+CF3COOH"	112.985586
"1299270"	487.062464	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Cl+CF3COOH"	148.962264
"1369051"	303.087524	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H-2H2O"	-35.012676
"1383994"	321.0975	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H-H2O"	-17.0027
"283318"	677.207676	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+H"	1.007276
"682666"	1015.307876	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+H"	1.007276
"1366068"	339.107476	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H"	1.007276
"134095"	339.107476	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+2H"	2.014552
"574748"	508.157576	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+2H"	2.014552
"1044642"	170.057376	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2H"	2.014552
"209262"	226.407409333333	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+3H"	3.021828
"652102"	339.107476	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+3H"	3.021828
"1174601"	113.707342666667	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+3H"	3.021828
"430221"	694.234223	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+NH4"	18.033823
"793401"	1032.334423	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+NH4"	18.033823
"1690826"	356.134023	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+NH4"	18.033823
"336918"	347.6207495	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+H+NH4"	19.041099
"737359"	516.6708495	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+H+NH4"	19.041099
"1487538"	178.5706495	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H+NH4"	19.041099
"404032"	699.189618	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+Na"	22.989218
"767210"	1037.289818	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+Na"	22.989218
"1604740"	361.089418	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Na"	22.989218
"319879"	350.098447	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+H+Na"	23.996494
"714488"	519.148547	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+H+Na"	23.996494
"1469405"	181.048347	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H+Na"	23.996494
"1059368"	121.034656666667	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2H+Na"	25.00377
"1266519"	371.133686	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+CH3OH+H"	33.033486
"381811"	715.163558	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+K"	38.963158
"742806"	1053.263758	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+K"	38.963158
"1543763"	377.063358	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+K"	38.963158
"303128"	358.085417	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+H+K"	39.970434
"694454"	527.135517	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+H+K"	39.970434
"1446207"	189.035317	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H+K"	39.970434
"238334"	718.234226	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+ACN+H"	42.033826
"1210188"	380.134026	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+ACN+H"	42.033826
"1194429"	190.570651	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+ACN+2H"	43.041102
"189985"	721.17156	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+2Na-H"	44.97116
"629178"	1059.27176	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+2Na-H"	44.97116
"1132562"	383.07136	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2Na-H"	44.97116
"173580"	361.089418	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+2Na"	45.978436
"613464"	530.139518	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+2Na"	45.978436
"1116036"	192.039318	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2Na"	45.978436
"1398951"	128.361970666667	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H+2Na"	46.985712
"1429934"	385.112946	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H+HCOOH"	47.012746
"221470"	366.12244	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+3H2O+2H"	56.04448
"1510993"	399.16499	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+IsoProp+H"	61.06479
"410313"	369.076388	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+Na+K"	61.952376
"771312"	538.126488	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+Na+K"	61.952376
"1670557"	200.026288	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Na+K"	61.952376
"257080"	740.216168	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+ACN+Na"	64.015768
"1228694"	402.115968	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+ACN+Na"	64.015768
"1716487"	402.139493	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+NH4+HCOOH"	64.039293
"1181474"	135.689284666667	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+3Na"	68.967654
"1651366"	407.094888	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Na+HCOOH"	68.994688
"159321"	753.11944	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+2K-H"	76.91904
"601070"	1091.21964	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+2K-H"	76.91904
"1086314"	415.01924	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2K-H"	76.91904
"142520"	377.063358	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"2M+2K"	77.926316
"582930"	546.113458	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"3M+2K"	77.926316
"1069872"	208.013258	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2K"	77.926316
"1101626"	417.033792	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2K+H"	78.933592
"1337529"	417.121407	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+DMSO+H"	79.021207
"1008246"	421.160576	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2ACN+H"	83.060376
"1525026"	422.154208	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+IsoProp+Na+H"	84.054008
"990182"	211.083926	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+2ACN+2H"	84.067652
"1587113"	423.068828	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+K+HCOOH"	84.968628
"1414364"	453.100338	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+H+CF3COOH"	115.000138
"1150930"	231.597201	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+3ACN+2H"	125.094202
"1707044"	470.126885	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+NH4+CF3COOH"	132.026685
"1642695"	475.08228	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+Na+CF3COOH"	136.98208
"1577252"	491.05622	"C10432"	"1-Caffeoyl-4-deoxyquinic acid"	"C16H18O8"	"338.1002"	"M+K+CF3COOH"	152.95602
"810900"	342.0951	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M"	0
"984436"	323.07671	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-H2O-H"	-19.01839
"72679"	227.056124	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M-3H"	-3.021828
"513335"	341.087824	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M-3H"	-3.021828
"890044"	113.024424	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-3H"	-3.021828
"13723"	341.087824	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M-2H"	-2.014552
"452554"	512.135374	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M-2H"	-2.014552
"830355"	170.040274	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-2H"	-2.014552
"84879"	683.182924	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M-H"	-1.007276
"531004"	1025.278024	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M-H"	-1.007276
"904435"	341.087824	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-H"	-1.007276
"54798"	700.209471	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M-2H+NH4"	16.019271
"493996"	1042.304571	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M-2H+NH4"	16.019271
"871795"	358.114371	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-2H+NH4"	16.019271
"35687"	705.164866	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M-2H+Na"	20.974666
"475248"	1047.259966	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M-2H+Na"	20.974666
"854144"	363.069766	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-2H+Na"	20.974666
"1624407"	363.069766	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Na-2H"	20.974666
"98748"	359.076163	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M-H+Cl"	33.962126
"538308"	530.123713	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M-H+Cl"	33.962126
"932550"	188.028613	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-H+Cl"	33.962126
"270378"	719.159602	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+Cl"	34.969402
"670459"	1061.254702	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+Cl"	34.969402
"1277398"	377.064502	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Cl"	34.969402
"26519"	721.138806	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M-2H+K"	36.948606
"464987"	1063.233906	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M-2H+K"	36.948606
"845704"	379.043706	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-2H+K"	36.948606
"1564088"	379.043706	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+K-2H"	36.948606
"943260"	387.093294	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-H+HCOOH"	44.998194
"362159"	729.188401	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+HCOOH-H"	44.998201
"350791"	743.204051	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+Hac-H"	59.013851
"1494155"	401.108951	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Hac-H"	59.013851
"961325"	409.075251	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-H+NaCOOH"	66.980151
"110959"	377.064502	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+2Cl"	69.938804
"553076"	548.112052	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+2Cl"	69.938804
"1022968"	206.016952	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2Cl"	69.938804
"1242182"	421.013985	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Br"	78.918885
"1306459"	423.069972	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Cl+HCOOH"	80.974872
"1335261"	445.051929	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Cl+NaCOOH"	102.956829
"925953"	455.080686	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M-H+CF3COOH"	112.985586
"1290024"	491.057364	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Cl+CF3COOH"	148.962264
"1369890"	307.082424	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H-2H2O"	-35.012676
"1384586"	325.0924	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H-H2O"	-17.0027
"285983"	685.197476	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+H"	1.007276
"686058"	1027.292576	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+H"	1.007276
"1365694"	343.102376	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H"	1.007276
"135298"	343.102376	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+2H"	2.014552
"574858"	514.149926	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+2H"	2.014552
"1044752"	172.054826	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2H"	2.014552
"211560"	229.070676	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+3H"	3.021828
"655492"	343.102376	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+3H"	3.021828
"1175804"	115.038976	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+3H"	3.021828
"431424"	702.224023	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+NH4"	18.033823
"798980"	1044.319123	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+NH4"	18.033823
"1692758"	360.128923	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+NH4"	18.033823
"340309"	351.6156495	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+H+NH4"	19.041099
"737106"	522.6631995	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+H+NH4"	19.041099
"1491657"	180.5680995	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H+NH4"	19.041099
"407057"	707.179418	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+Na"	22.989218
"766227"	1049.274518	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+Na"	22.989218
"1607766"	365.084318	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Na"	22.989218
"325456"	354.093347	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+H+Na"	23.996494
"715693"	525.140897	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+H+Na"	23.996494
"1471702"	183.045797	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H+Na"	23.996494
"1061664"	122.36629	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2H+Na"	25.00377
"1265536"	375.128586	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+CH3OH+H"	33.033486
"381921"	723.153358	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+K"	38.963158
"745103"	1065.248458	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+K"	38.963158
"1544967"	381.058258	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+K"	38.963158
"303238"	362.080317	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+H+K"	39.970434
"696752"	533.127867	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+H+K"	39.970434
"1448749"	191.032767	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H+K"	39.970434
"239537"	726.224026	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+ACN+H"	42.033826
"1211028"	384.128926	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+ACN+H"	42.033826
"1197224"	192.568101	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+ACN+2H"	43.041102
"190822"	729.16136	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+2Na-H"	44.97116
"628839"	1071.25646	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+2Na-H"	44.97116
"1132795"	387.06626	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2Na-H"	44.97116
"182649"	365.084318	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+2Na"	45.978436
"615281"	536.131868	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+2Na"	45.978436
"1115826"	194.036768	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2Na"	45.978436
"1399638"	129.693604	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H+2Na"	46.985712
"1430898"	389.107846	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H+HCOOH"	47.012746
"223035"	370.11734	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+3H2O+2H"	56.04448
"1512560"	403.15989	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+IsoProp+H"	61.06479
"410425"	373.071288	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+Na+K"	61.952376
"772878"	544.118838	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+Na+K"	61.952376
"1668482"	202.023738	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Na+K"	61.952376
"253543"	748.205968	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+ACN+Na"	64.015768
"1229898"	406.110868	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+ACN+Na"	64.015768
"1717691"	406.134393	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+NH4+HCOOH"	64.039293
"1183045"	137.020918	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+3Na"	68.967654
"1655124"	411.089788	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Na+HCOOH"	68.994688
"163079"	761.10924	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+2K-H"	76.91904
"605920"	1103.20434	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+2K-H"	76.91904
"1088974"	419.01414	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2K-H"	76.91904
"146157"	381.058258	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"2M+2K"	77.926316
"588997"	552.105808	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"3M+2K"	77.926316
"1073509"	210.010708	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2K"	77.926316
"1104532"	421.028692	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2K+H"	78.933592
"1342011"	421.116307	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+DMSO+H"	79.021207
"1006287"	425.155476	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2ACN+H"	83.060376
"1524411"	426.149108	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+IsoProp+Na+H"	84.054008
"990374"	213.081376	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+2ACN+2H"	84.067652
"1587306"	427.063728	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+K+HCOOH"	84.968628
"1414913"	457.095238	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+H+CF3COOH"	115.000138
"1147392"	233.594651	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+3ACN+2H"	125.094202
"1704967"	474.121785	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+NH4+CF3COOH"	132.026685
"1642805"	479.07718	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+Na+CF3COOH"	136.98208
"1574082"	495.05112	"C10433"	"1-Caffeoyl-beta-D-glucose"	"C15H18O9"	"342.0951"	"M+K+CF3COOH"	152.95602
"811008"	336.0845	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M"	0
"984546"	317.06611	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-H2O-H"	-19.01839
"72791"	223.049057333333	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M-3H"	-3.021828
"513445"	335.077224	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M-3H"	-3.021828
"894163"	111.020890666667	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-3H"	-3.021828
"12011"	335.077224	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M-2H"	-2.014552
"452664"	503.119474	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M-2H"	-2.014552
"829373"	167.034974	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-2H"	-2.014552
"86082"	671.161724	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M-H"	-1.007276
"533060"	1007.246224	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M-H"	-1.007276
"901261"	335.077224	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-H"	-1.007276
"53451"	688.188271	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M-2H+NH4"	16.019271
"496291"	1024.272771	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M-2H+NH4"	16.019271
"872999"	352.103771	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-2H+NH4"	16.019271
"35068"	693.143666	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M-2H+Na"	20.974666
"477179"	1029.228166	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M-2H+Na"	20.974666
"854254"	357.059166	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-2H+Na"	20.974666
"1621963"	357.059166	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Na-2H"	20.974666
"98493"	353.065563	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M-H+Cl"	33.962126
"537688"	521.107813	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M-H+Cl"	33.962126
"931203"	185.023313	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-H+Cl"	33.962126
"270852"	707.138402	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+Cl"	34.969402
"670569"	1043.222902	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+Cl"	34.969402
"1277508"	371.053902	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Cl"	34.969402
"28815"	709.117606	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M-2H+K"	36.948606
"466190"	1045.202106	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M-2H+K"	36.948606
"846178"	373.033106	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-2H+K"	36.948606
"1564198"	373.033106	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+K-2H"	36.948606
"943328"	381.082694	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-H+HCOOH"	44.998194
"361506"	717.167201	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+HCOOH-H"	44.998201
"347618"	731.182851	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+Hac-H"	59.013851
"1495357"	395.098351	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Hac-H"	59.013851
"958712"	403.064651	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-H+NaCOOH"	66.980151
"110335"	371.053902	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+2Cl"	69.938804
"549981"	539.096152	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+2Cl"	69.938804
"1021442"	203.011652	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2Cl"	69.938804
"1242294"	415.003385	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Br"	78.918885
"1305223"	417.059372	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Cl+HCOOH"	80.974872
"1334517"	439.041329	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Cl+NaCOOH"	102.956829
"924603"	449.070086	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M-H+CF3COOH"	112.985586
"1290378"	485.046764	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Cl+CF3COOH"	148.962264
"1372186"	301.071824	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H-2H2O"	-35.012676
"1383487"	319.0818	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H-H2O"	-17.0027
"287186"	673.176276	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+H"	1.007276
"683981"	1009.260776	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+H"	1.007276
"1365805"	337.091776	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H"	1.007276
"136501"	337.091776	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+2H"	2.014552
"577153"	505.134026	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+2H"	2.014552
"1043039"	169.049526	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2H"	2.014552
"210576"	225.063609333333	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+3H"	3.021828
"656331"	337.091776	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+3H"	3.021828
"1175915"	113.035442666667	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+3H"	3.021828
"430441"	690.202823	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+NH4"	18.033823
"795808"	1026.287323	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+NH4"	18.033823
"1692503"	354.118323	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+NH4"	18.033823
"341877"	345.6050495	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+H+NH4"	19.041099
"734663"	513.6472995	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+H+NH4"	19.041099
"1487757"	177.5627995	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H+NH4"	19.041099
"404251"	695.158218	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+Na"	22.989218
"766336"	1031.242718	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+Na"	22.989218
"1610061"	359.073718	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Na"	22.989218
"325566"	348.082747	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+H+Na"	23.996494
"717989"	516.124997	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+H+Na"	23.996494
"1471812"	180.040497	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H+Na"	23.996494
"1060680"	120.362756666667	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2H+Na"	25.00377
"1265647"	369.117986	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+CH3OH+H"	33.033486
"379845"	711.132158	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+K"	38.963158
"745213"	1047.216658	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+K"	38.963158
"1546170"	375.047658	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+K"	38.963158
"304441"	356.069717	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+H+K"	39.970434
"696862"	524.111967	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+H+K"	39.970434
"1449588"	188.027467	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H+K"	39.970434
"242564"	714.202826	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+ACN+H"	42.033826
"1211992"	378.118326	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+ACN+H"	42.033826
"1197334"	189.562801	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+ACN+2H"	43.041102
"189353"	717.14016	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+2Na-H"	44.97116
"628620"	1053.22466	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+2Na-H"	44.97116
"1134728"	381.05566	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2Na-H"	44.97116
"182759"	359.073718	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+2Na"	45.978436
"617578"	527.115968	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+2Na"	45.978436
"1117558"	191.031468	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2Na"	45.978436
"1399748"	127.690070666667	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H+2Na"	46.985712
"1429948"	383.097246	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H+HCOOH"	47.012746
"222415"	364.10674	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+3H2O+2H"	56.04448
"1511575"	397.14929	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+IsoProp+H"	61.06479
"411626"	367.060688	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+Na+K"	61.952376
"770798"	535.102938	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+Na+K"	61.952376
"1667494"	199.018438	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Na+K"	61.952376
"252312"	736.184768	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+ACN+Na"	64.015768
"1227090"	400.100268	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+ACN+Na"	64.015768
"1717799"	400.123793	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+NH4+HCOOH"	64.039293
"1183881"	135.017384666667	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+3Na"	68.967654
"1651587"	405.079188	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Na+HCOOH"	68.994688
"163189"	749.08804	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+2K-H"	76.91904
"609310"	1085.17254	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+2K-H"	76.91904
"1088719"	413.00354	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2K-H"	76.91904
"149547"	375.047658	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"2M+2K"	77.926316
"585827"	543.089908	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"3M+2K"	77.926316
"1073619"	207.005408	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2K"	77.926316
"1103912"	415.018092	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2K+H"	78.933592
"1339205"	415.105707	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+DMSO+H"	79.021207
"1005680"	419.144876	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2ACN+H"	83.060376
"1524724"	420.138508	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+IsoProp+Na+H"	84.054008
"990159"	210.076076	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+2ACN+2H"	84.067652
"1587056"	421.053128	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+K+HCOOH"	84.968628
"1414457"	451.084638	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+H+CF3COOH"	115.000138
"1147867"	230.589351	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+3ACN+2H"	125.094202
"1705077"	468.111185	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+NH4+CF3COOH"	132.026685
"1642915"	473.06658	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+Na+CF3COOH"	136.98208
"1577472"	489.04052	"C10434"	"5-O-Caffeoylshikimic acid"	"C16H16O8"	"336.0845"	"M+K+CF3COOH"	152.95602
"814399"	192.0786	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M"	0
"988546"	173.06021	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"77277"	127.045124	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"514650"	191.071324	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"891358"	63.018924	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"12124"	191.071324	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"452774"	287.110624	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"830941"	95.032024	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"85099"	383.149924	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"531226"	575.228524	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"902465"	191.071324	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"52468"	400.176471	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"494216"	592.255071	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"873111"	208.097871	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"35178"	405.131866	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"477290"	597.210466	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"855093"	213.053266	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1623532"	213.053266	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"101154"	209.059663	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"537069"	305.098963	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"936417"	113.020363	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"274974"	419.126602	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"668493"	611.205202	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1275795"	227.048002	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"25645"	421.105806	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"466300"	613.184406	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"846288"	229.027206	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1564308"	229.027206	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"943563"	237.076794	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"362014"	429.155401	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"347728"	443.171051	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1496560"	251.092451	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"958905"	259.058751	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"110063"	227.048002	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"550161"	323.087302	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1022088"	131.008702	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1242398"	270.997485	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1304966"	273.053472	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1331832"	295.035429	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"925077"	305.064186	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1301789"	341.040864	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1370472"	157.065924	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1386512"	175.0759	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"287296"	385.164476	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"680811"	577.243076	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1364088"	193.085876	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"136610"	193.085876	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"576170"	289.125176	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1043879"	97.046576	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"209593"	129.059676	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"651338"	193.085876	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1176023"	65.033476	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"429458"	402.191023	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"790813"	594.269623	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1691154"	210.112423	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"343688"	201.5991495	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"729670"	297.6384495	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1483493"	105.5598495	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"401079"	407.146418	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"764259"	599.225018	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1612359"	215.067818	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"321302"	204.076847	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"719190"	300.116147	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1470826"	108.037547	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1060789"	72.36079	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1264662"	225.112086	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"382141"	423.120358	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"748601"	615.198958	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1547374"	231.041758	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"304549"	212.063817	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"696972"	308.103117	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1449699"	116.024517	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"242674"	426.191026	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1211009"	234.112426	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1198538"	117.559851	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"191044"	429.12836	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"630604"	621.20696	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1133136"	237.04976	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"178493"	215.067818	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"616595"	311.107118	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1116089"	119.028518	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1399370"	79.688104	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1430100"	239.091346	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"222160"	220.10084	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1509012"	253.14339	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"408938"	223.054788	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"771634"	319.094088	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1666146"	127.015488	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"253396"	448.172968	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1232304"	256.094368	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1720098"	256.117893	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1182898"	87.015418	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1656438"	261.073288	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"166581"	461.07624	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"606141"	653.15484	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1088101"	268.99764	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"147470"	231.041758	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"583385"	327.081058	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1073729"	135.002458	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1102565"	271.012192	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1340045"	271.099807	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1005775"	275.138976	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1524348"	276.132608	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"990351"	138.073126	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1587078"	277.047228	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1415137"	307.078738	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1147978"	158.586401	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1705187"	324.105285	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1643025"	329.06068	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1577582"	345.03462	"C10435"	"Carpacin"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"814509"	312.1725	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M"	0
"988048"	293.15411	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-H2O-H"	-19.01839
"77265"	207.107724	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M-3H"	-3.021828
"516584"	311.165224	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M-3H"	-3.021828
"892563"	103.050224	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-3H"	-3.021828
"12231"	311.165224	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M-2H"	-2.014552
"451791"	467.251474	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M-2H"	-2.014552
"826311"	155.078974	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-2H"	-2.014552
"87396"	623.337724	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M-H"	-1.007276
"532430"	935.510224	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M-H"	-1.007276
"898932"	311.165224	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-H"	-1.007276
"52214"	640.364271	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M-2H+NH4"	16.019271
"494327"	952.536771	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M-2H+NH4"	16.019271
"875407"	328.191771	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-2H+NH4"	16.019271
"36019"	645.319666	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M-2H+Na"	20.974666
"477400"	957.492166	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M-2H+Na"	20.974666
"857390"	333.147166	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-2H+Na"	20.974666
"1622913"	333.147166	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Na-2H"	20.974666
"98348"	329.153563	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M-H+Cl"	33.962126
"540828"	485.239813	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M-H+Cl"	33.962126
"936529"	173.067313	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-H+Cl"	33.962126
"277273"	659.314402	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+Cl"	34.969402
"669697"	971.486902	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+Cl"	34.969402
"1275904"	347.141902	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Cl"	34.969402
"22475"	661.293606	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M-2H+K"	36.948606
"466410"	973.466106	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M-2H+K"	36.948606
"842025"	349.121106	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-2H+K"	36.948606
"1561138"	349.121106	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+K-2H"	36.948606
"943062"	357.170694	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-H+HCOOH"	44.998194
"361998"	669.343201	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+HCOOH-H"	44.998201
"345785"	683.358851	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+Hac-H"	59.013851
"1493997"	371.186351	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Hac-H"	59.013851
"958651"	379.152651	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-H+NaCOOH"	66.980151
"110068"	347.141902	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+2Cl"	69.938804
"550230"	503.228152	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+2Cl"	69.938804
"1021365"	191.055652	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2Cl"	69.938804
"1241411"	391.091385	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Br"	78.918885
"1304348"	393.147372	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Cl+HCOOH"	80.974872
"1331942"	415.129329	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Cl+NaCOOH"	102.956829
"924823"	425.158086	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M-H+CF3COOH"	112.985586
"1300806"	461.134764	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Cl+CF3COOH"	148.962264
"1368033"	277.159824	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H-2H2O"	-35.012676
"1383706"	295.1698	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H-H2O"	-17.0027
"287406"	625.352276	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+H"	1.007276
"676911"	937.524776	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+H"	1.007276
"1363833"	313.179776	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H"	1.007276
"136720"	313.179776	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+2H"	2.014552
"570812"	469.266026	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+2H"	2.014552
"1047268"	157.093526	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2H"	2.014552
"209336"	209.122276	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+3H"	3.021828
"650354"	313.179776	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+3H"	3.021828
"1170666"	105.064776	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+3H"	3.021828
"430293"	642.378823	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+NH4"	18.033823
"793839"	954.551323	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+NH4"	18.033823
"1689076"	330.206323	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+NH4"	18.033823
"343796"	321.6930495	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+H+NH4"	19.041099
"728685"	477.7792995	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+H+NH4"	19.041099
"1483601"	165.6067995	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H+NH4"	19.041099
"401187"	647.334218	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+Na"	22.989218
"765096"	959.506718	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+Na"	22.989218
"1607001"	335.161718	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Na"	22.989218
"315944"	324.170747	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+H+Na"	23.996494
"714926"	480.256997	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+H+Na"	23.996494
"1468748"	168.084497	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H+Na"	23.996494
"1056524"	112.39209	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2H+Na"	25.00377
"1263678"	345.205986	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+CH3OH+H"	33.033486
"383344"	663.308158	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+K"	38.963158
"744337"	975.480658	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+K"	38.963158
"1544205"	351.135658	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+K"	38.963158
"303566"	332.157717	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+H+K"	39.970434
"694895"	488.243967	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+H+K"	39.970434
"1449810"	176.071467	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H+K"	39.970434
"242784"	666.378826	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+ACN+H"	42.033826
"1212213"	354.206326	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+ACN+H"	42.033826
"1199377"	177.606801	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+ACN+2H"	43.041102
"192612"	669.31616	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+2Na-H"	44.97116
"632901"	981.48866	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+2Na-H"	44.97116
"1136041"	357.14366	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2Na-H"	44.97116
"179331"	335.161718	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+2Na"	45.978436
"616341"	491.247968	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+2Na"	45.978436
"1118389"	179.075468	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2Na"	45.978436
"1400454"	119.719404	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H+2Na"	46.985712
"1431842"	359.185246	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H+HCOOH"	47.012746
"220113"	340.19474	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+3H2O+2H"	56.04448
"1509114"	373.23729	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+IsoProp+H"	61.06479
"408632"	343.148688	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+Na+K"	61.952376
"771377"	499.234938	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+Na+K"	61.952376
"1666616"	187.062438	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Na+K"	61.952376
"251923"	688.360768	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+ACN+Na"	64.015768
"1226214"	376.188268	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+ACN+Na"	64.015768
"1716560"	376.211793	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+NH4+HCOOH"	64.039293
"1183008"	127.046718	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+3Na"	68.967654
"1655453"	381.167188	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Na+HCOOH"	68.994688
"160492"	701.26404	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+2K-H"	76.91904
"602969"	1013.43654	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+2K-H"	76.91904
"1088210"	389.09154	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2K-H"	76.91904
"142840"	351.135658	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"2M+2K"	77.926316
"583859"	507.221908	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"3M+2K"	77.926316
"1069828"	195.049408	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2K"	77.926316
"1100609"	391.106092	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2K+H"	78.933592
"1335607"	391.193707	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+DMSO+H"	79.021207
"1005762"	395.232876	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2ACN+H"	83.060376
"1524487"	396.226508	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+IsoProp+Na+H"	84.054008
"990451"	198.120076	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+2ACN+2H"	84.067652
"1587396"	397.141128	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+K+HCOOH"	84.968628
"1415247"	427.172638	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+H+CF3COOH"	115.000138
"1148814"	218.633351	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+3ACN+2H"	125.094202
"1702016"	444.199185	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+NH4+CF3COOH"	132.026685
"1646416"	449.15458	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+Na+CF3COOH"	136.98208
"1584253"	465.12852	"C10436"	"Centrolobine"	"C20H24O3"	"312.1725"	"M+K+CF3COOH"	152.95602
"804778"	474.0798	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M"	0
"989700"	455.06141	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-H2O-H"	-19.01839
"77495"	315.045924	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M-3H"	-3.021828
"517872"	473.072524	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M-3H"	-3.021828
"894983"	157.019324	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-3H"	-3.021828
"14526"	473.072524	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M-2H"	-2.014552
"452993"	710.112424	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M-2H"	-2.014552
"829700"	236.032624	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-2H"	-2.014552
"89692"	947.152324	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M-H"	-1.007276
"532419"	1421.232124	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M-H"	-1.007276
"907062"	473.072524	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-H"	-1.007276
"59250"	964.178871	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M-2H+NH4"	16.019271
"501484"	1438.258671	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M-2H+NH4"	16.019271
"878560"	490.099071	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-2H+NH4"	16.019271
"45606"	969.134266	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M-2H+Na"	20.974666
"481883"	1443.214066	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M-2H+Na"	20.974666
"860780"	495.054466	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-2H+Na"	20.974666
"1628126"	495.054466	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Na-2H"	20.974666
"102467"	491.060863	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M-H+Cl"	33.962126
"548716"	728.100763	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M-H+Cl"	33.962126
"939919"	254.020963	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-H+Cl"	33.962126
"280421"	983.129002	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+Cl"	34.969402
"670901"	1457.208802	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+Cl"	34.969402
"1280026"	509.049202	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Cl"	34.969402
"24772"	985.108206	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M-2H+K"	36.948606
"463241"	1459.188006	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M-2H+K"	36.948606
"843229"	511.028406	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-2H+K"	36.948606
"1562341"	511.028406	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+K-2H"	36.948606
"943783"	519.077994	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-H+HCOOH"	44.998194
"361410"	993.157801	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+HCOOH-H"	44.998201
"346121"	1007.173451	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+Hac-H"	59.013851
"1495687"	533.093651	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Hac-H"	59.013851
"959085"	541.059951	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-H+NaCOOH"	66.980151
"110071"	509.049202	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+2Cl"	69.938804
"550471"	746.089102	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+2Cl"	69.938804
"1021948"	272.009302	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2Cl"	69.938804
"1242132"	552.998685	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Br"	78.918885
"1304706"	555.054672	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Cl+HCOOH"	80.974872
"1332052"	577.036629	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Cl+NaCOOH"	102.956829
"922016"	587.065386	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M-H+CF3COOH"	112.985586
"1300916"	623.042064	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Cl+CF3COOH"	148.962264
"1370332"	439.067124	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H-2H2O"	-35.012676
"1385274"	457.0771	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H-H2O"	-17.0027
"288609"	949.166876	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+H"	1.007276
"677751"	1423.246676	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+H"	1.007276
"1363943"	475.087076	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H"	1.007276
"135737"	475.087076	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+2H"	2.014552
"576390"	712.126976	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+2H"	2.014552
"1041912"	238.047176	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2H"	2.014552
"209081"	317.060476	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+3H"	3.021828
"653744"	475.087076	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+3H"	3.021828
"1171869"	159.033876	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+3H"	3.021828
"433318"	966.193423	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+NH4"	18.033823
"795043"	1440.273223	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+NH4"	18.033823
"1690644"	492.113623	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+NH4"	18.033823
"340747"	483.6003495	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+H+NH4"	19.041099
"727704"	720.6402495	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+H+NH4"	19.041099
"1479338"	246.5604495	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H+NH4"	19.041099
"399113"	971.148818	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+Na"	22.989218
"761200"	1445.228618	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+Na"	22.989218
"1610392"	497.069018	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Na"	22.989218
"318243"	486.078047	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+H+Na"	23.996494
"709569"	723.117947	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+H+Na"	23.996494
"1467765"	249.038147	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H+Na"	23.996494
"1059916"	166.36119	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2H+Na"	25.00377
"1261599"	507.113286	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+CH3OH+H"	33.033486
"380171"	987.122758	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+K"	38.963158
"741531"	1461.202558	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+K"	38.963158
"1546503"	513.042958	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+K"	38.963158
"301854"	494.065017	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+H+K"	39.970434
"693910"	731.104917	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+H+K"	39.970434
"1447366"	257.025117	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H+K"	39.970434
"239613"	990.193426	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+ACN+H"	42.033826
"1212323"	516.113626	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+ACN+H"	42.033826
"1198030"	258.560451	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+ACN+2H"	43.041102
"190535"	993.13076	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+2Na-H"	44.97116
"629730"	1467.21056	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+2Na-H"	44.97116
"1137610"	519.05096	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2Na-H"	44.97116
"175067"	497.069018	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+2Na"	45.978436
"613527"	734.108918	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+2Na"	45.978436
"1115667"	260.029118	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2Na"	45.978436
"1398520"	173.688504	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H+2Na"	46.985712
"1430364"	521.092546	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H+HCOOH"	47.012746
"220060"	502.10204	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+3H2O+2H"	56.04448
"1508899"	535.14459	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+IsoProp+H"	61.06479
"408551"	505.055988	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+Na+K"	61.952376
"770040"	742.095888	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+Na+K"	61.952376
"1665803"	268.016088	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Na+K"	61.952376
"251545"	1012.175368	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+ACN+Na"	64.015768
"1229242"	538.095568	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+ACN+Na"	64.015768
"1717035"	538.119093	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+NH4+HCOOH"	64.039293
"1179474"	181.015818	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+3Na"	68.967654
"1649967"	543.074488	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Na+HCOOH"	68.994688
"159873"	1025.07864	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+2K-H"	76.91904
"598340"	1499.15844	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+2K-H"	76.91904
"1088686"	550.99884	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2K-H"	76.91904
"142220"	513.042958	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"2M+2K"	77.926316
"582185"	750.082858	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"3M+2K"	77.926316
"1069941"	276.003058	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2K"	77.926316
"1100596"	553.013392	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2K+H"	78.933592
"1335763"	553.101007	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+DMSO+H"	79.021207
"1007095"	557.140176	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2ACN+H"	83.060376
"1524183"	558.133808	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+IsoProp+Na+H"	84.054008
"990203"	279.073726	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+2ACN+2H"	84.067652
"1587628"	559.048428	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+K+HCOOH"	84.968628
"1414747"	589.079938	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+H+CF3COOH"	115.000138
"1147831"	299.587001	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+3ACN+2H"	125.094202
"1703219"	606.106485	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+NH4+CF3COOH"	132.026685
"1646526"	611.06188	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+Na+CF3COOH"	136.98208
"1584363"	627.03582	"C10437"	"Chicoric acid"	"C22H18O12"	"474.0798"	"M+K+CF3COOH"	152.95602
"805981"	148.0524	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M"	0
"983896"	129.03401	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-H2O-H"	-19.01839
"75419"	97.694324	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M-3H"	-3.021828
"517777"	147.045124	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M-3H"	-3.021828
"894850"	48.343524	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-3H"	-3.021828
"12450"	147.045124	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M-2H"	-2.014552
"452010"	221.071324	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M-2H"	-2.014552
"826531"	73.018924	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-2H"	-2.014552
"87616"	295.097524	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M-H"	-1.007276
"532650"	443.149924	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M-H"	-1.007276
"904985"	147.045124	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-H"	-1.007276
"56080"	312.124071	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M-2H+NH4"	16.019271
"498920"	460.176471	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M-2H+NH4"	16.019271
"879519"	164.071671	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-2H+NH4"	16.019271
"44622"	317.079466	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M-2H+Na"	20.974666
"481995"	465.131866	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M-2H+Na"	20.974666
"857608"	169.027066	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-2H+Na"	20.974666
"1629328"	169.027066	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Na-2H"	20.974666
"101482"	165.033463	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M-H+Cl"	33.962126
"548461"	239.059663	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M-H+Cl"	33.962126
"938937"	91.007263	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-H+Cl"	33.962126
"281625"	331.074202	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+Cl"	34.969402
"666637"	479.126602	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+Cl"	34.969402
"1282319"	183.021802	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Cl"	34.969402
"25975"	333.053406	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M-2H+K"	36.948606
"463349"	481.105806	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M-2H+K"	36.948606
"843339"	185.001006	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-2H+K"	36.948606
"1564638"	185.001006	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+K-2H"	36.948606
"948147"	193.050594	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-H+HCOOH"	44.998194
"362097"	341.103001	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+HCOOH-H"	44.998201
"345827"	355.118651	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+Hac-H"	59.013851
"1496891"	207.066251	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Hac-H"	59.013851
"959450"	215.032551	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-H+NaCOOH"	66.980151
"110225"	183.021802	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+2Cl"	69.938804
"550033"	257.048002	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+2Cl"	69.938804
"1021648"	108.995602	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2Cl"	69.938804
"1241516"	226.971285	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Br"	78.918885
"1305184"	229.027272	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Cl+HCOOH"	80.974872
"1332162"	251.009229	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Cl+NaCOOH"	102.956829
"922126"	261.037986	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M-H+CF3COOH"	112.985586
"1303212"	297.014664	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Cl+CF3COOH"	148.962264
"1372629"	113.039724	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H-2H2O"	-35.012676
"1384654"	131.0497	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H-H2O"	-17.0027
"289812"	297.112076	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+H"	1.007276
"680047"	445.164476	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+H"	1.007276
"1364053"	149.059676	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H"	1.007276
"136940"	149.059676	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+2H"	2.014552
"578687"	223.085876	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+2H"	2.014552
"1050404"	75.033476	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2H"	2.014552
"209556"	99.708876	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+3H"	3.021828
"650575"	149.059676	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+3H"	3.021828
"1170887"	50.358076	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+3H"	3.021828
"435252"	314.138623	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+NH4"	18.033823
"800500"	462.191023	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+NH4"	18.033823
"1690389"	166.086223	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+NH4"	18.033823
"340858"	157.5729495	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+H+NH4"	19.041099
"728908"	231.5991495	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+H+NH4"	19.041099
"1480904"	83.5467495	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H+NH4"	19.041099
"397032"	319.094018	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+Na"	22.989218
"758028"	467.146418	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+Na"	22.989218
"1608316"	171.041618	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Na"	22.989218
"317259"	160.050647	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+H+Na"	23.996494
"715147"	234.076847	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+H+Na"	23.996494
"1465686"	86.024447	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H+Na"	23.996494
"1058933"	57.68539	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2H+Na"	25.00377
"1258428"	181.085886	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+CH3OH+H"	33.033486
"378461"	335.067958	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+K"	38.963158
"740910"	483.120358	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+K"	38.963158
"1540654"	187.015558	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+K"	38.963158
"302328"	168.037617	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+H+K"	39.970434
"694385"	242.063817	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+H+K"	39.970434
"1451122"	94.011417	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H+K"	39.970434
"236443"	338.138626	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+ACN+H"	42.033826
"1211705"	190.086226	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+ACN+H"	42.033826
"1194852"	95.546751	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+ACN+2H"	43.041102
"189423"	341.07596	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+2Na-H"	44.97116
"629712"	489.12836	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+2Na-H"	44.97116
"1131842"	193.02356	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2Na-H"	44.97116
"173590"	171.041618	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+2Na"	45.978436
"614124"	245.067818	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+2Na"	45.978436
"1118973"	97.015418	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2Na"	45.978436
"1400064"	65.012704	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H+2Na"	46.985712
"1430839"	195.065146	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H+HCOOH"	47.012746
"220661"	176.07464	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+3H2O+2H"	56.04448
"1509702"	209.11719	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+IsoProp+H"	61.06479
"409514"	179.028588	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+Na+K"	61.952376
"770742"	253.054788	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+Na+K"	61.952376
"1667204"	105.002388	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Na+K"	61.952376
"252995"	360.120568	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+ACN+Na"	64.015768
"1228256"	212.068168	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+ACN+Na"	64.015768
"1720428"	212.091693	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+NH4+HCOOH"	64.039293
"1184688"	72.340018	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+3Na"	68.967654
"1653487"	217.047088	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Na+HCOOH"	68.994688
"157554"	373.02384	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+2K-H"	76.91904
"601370"	521.07624	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+2K-H"	76.91904
"1085150"	224.97144	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2K-H"	76.91904
"141723"	187.015558	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"2M+2K"	77.926316
"583352"	261.041758	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"3M+2K"	77.926316
"1068667"	112.989358	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2K"	77.926316
"1100208"	226.985992	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2K+H"	78.933592
"1335743"	227.073607	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+DMSO+H"	79.021207
"1005807"	231.112776	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2ACN+H"	83.060376
"1524343"	232.106408	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+IsoProp+Na+H"	84.054008
"990000"	116.060026	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+2ACN+2H"	84.067652
"1587375"	233.021028	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+K+HCOOH"	84.968628
"1414614"	263.052538	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+H+CF3COOH"	115.000138
"1147327"	136.573301	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+3ACN+2H"	125.094202
"1703329"	280.079085	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+NH4+CF3COOH"	132.026685
"1646636"	285.03448	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+Na+CF3COOH"	136.98208
"1584473"	301.00842	"C10438"	"Cinnamic acid;Benzeneacrylic acid"	"C9H8O2"	"148.0524"	"M+K+CF3COOH"	152.95602
"804998"	708.2629	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M"	0
"985098"	689.24451	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-H2O-H"	-19.01839
"73343"	471.167990666667	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M-3H"	-3.021828
"516183"	707.255624	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M-3H"	-3.021828
"892891"	235.080357333333	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-3H"	-3.021828
"11466"	707.255624	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M-2H"	-2.014552
"451026"	1061.387074	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M-2H"	-2.014552
"827734"	353.124174	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-2H"	-2.014552
"88819"	1415.518524	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M-H"	-1.007276
"532762"	2123.781424	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M-H"	-1.007276
"909105"	707.255624	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-H"	-1.007276
"59470"	1432.545071	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M-2H+NH4"	16.019271
"499030"	2140.807971	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M-2H+NH4"	16.019271
"878654"	724.282171	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-2H+NH4"	16.019271
"43639"	1437.500466	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M-2H+Na"	20.974666
"485384"	2145.763366	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M-2H+Na"	20.974666
"858811"	729.237566	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-2H+Na"	20.974666
"1628344"	729.237566	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Na-2H"	20.974666
"99405"	725.243963	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M-H+Cl"	33.962126
"549422"	1079.375413	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M-H+Cl"	33.962126
"942084"	371.112513	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-H+Cl"	33.962126
"280884"	1451.495202	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+Cl"	34.969402
"670026"	2159.758102	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+Cl"	34.969402
"1277326"	743.232302	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Cl"	34.969402
"28273"	1453.474406	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M-2H+K"	36.948606
"464552"	2161.737306	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M-2H+K"	36.948606
"842353"	745.211506	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-2H+K"	36.948606
"1564748"	745.211506	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+K-2H"	36.948606
"949350"	753.261094	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-H+HCOOH"	44.998194
"363191"	1461.524001	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+HCOOH-H"	44.998201
"348167"	1475.539651	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+Hac-H"	59.013851
"1504292"	767.276751	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Hac-H"	59.013851
"962356"	775.243051	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-H+NaCOOH"	66.980151
"110774"	743.232302	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+2Cl"	69.938804
"551064"	1097.363752	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+2Cl"	69.938804
"1023022"	389.100852	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2Cl"	69.938804
"1242598"	787.181785	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Br"	78.918885
"1307117"	789.237772	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Cl+HCOOH"	80.974872
"1332272"	811.219729	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Cl+NaCOOH"	102.956829
"922237"	821.248486	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M-H+CF3COOH"	112.985586
"1300042"	857.225164	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Cl+CF3COOH"	148.962264
"1377112"	673.250224	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H-2H2O"	-35.012676
"1386952"	691.2602	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H-H2O"	-17.0027
"291015"	1417.533076	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+H"	1.007276
"684531"	2125.795976	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+H"	1.007276
"1363070"	709.270176	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H"	1.007276
"139237"	709.270176	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+2H"	2.014552
"579530"	1063.401626	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+2H"	2.014552
"1050150"	355.138726	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2H"	2.014552
"208937"	473.182542666667	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+3H"	3.021828
"650685"	709.270176	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+3H"	3.021828
"1173183"	237.094909333333	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+3H"	3.021828
"437186"	1434.559623	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+NH4"	18.033823
"797451"	2142.822523	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+NH4"	18.033823
"1693417"	726.296723	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+NH4"	18.033823
"339874"	717.7834495	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+H+NH4"	19.041099
"729015"	1071.9148995	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+H+NH4"	19.041099
"1483933"	363.6519995	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H+NH4"	19.041099
"401518"	1439.515018	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+Na"	22.989218
"757046"	2147.777918	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+Na"	22.989218
"1610614"	731.252118	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Na"	22.989218
"317369"	720.261147	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+H+Na"	23.996494
"715257"	1074.392597	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+H+Na"	23.996494
"1469080"	366.129697	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H+Na"	23.996494
"1060141"	244.422223333333	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2H+Na"	25.00377
"1266192"	741.296386	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+CH3OH+H"	33.033486
"378326"	1455.488958	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+K"	38.963158
"743576"	2163.751858	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+K"	38.963158
"1541254"	747.226058	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+K"	38.963158
"304261"	728.248117	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+H+K"	39.970434
"696684"	1082.379567	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+H+K"	39.970434
"1447953"	374.116667	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H+K"	39.970434
"237650"	1458.559626	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+ACN+H"	42.033826
"1210718"	750.296726	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+ACN+H"	42.033826
"1194842"	375.652001	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+ACN+2H"	43.041102
"189415"	1461.49696	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+2Na-H"	44.97116
"630314"	2169.75986	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+2Na-H"	44.97116
"1132114"	753.23406	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2Na-H"	44.97116
"174799"	731.252118	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+2Na"	45.978436
"613750"	1085.383568	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+2Na"	45.978436
"1116897"	377.120668	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2Na"	45.978436
"1400297"	251.749537333333	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H+2Na"	46.985712
"1430711"	755.275646	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H+HCOOH"	47.012746
"220645"	736.28514	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+3H2O+2H"	56.04448
"1508952"	769.32769	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+IsoProp+H"	61.06479
"409253"	739.239088	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+Na+K"	61.952376
"770604"	1093.370538	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+Na+K"	61.952376
"1665768"	385.107638	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Na+K"	61.952376
"252498"	1480.541568	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+ACN+Na"	64.015768
"1227027"	772.278668	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+ACN+Na"	64.015768
"1713847"	772.302193	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+NH4+HCOOH"	64.039293
"1183704"	259.076851333333	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+3Na"	68.967654
"1653962"	777.257588	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Na+HCOOH"	68.994688
"159123"	1493.44484	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+2K-H"	76.91904
"601115"	2201.70774	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+2K-H"	76.91904
"1084894"	785.18194	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2K-H"	76.91904
"142196"	747.226058	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"2M+2K"	77.926316
"584192"	1101.357508	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"3M+2K"	77.926316
"1069541"	393.094608	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2K"	77.926316
"1100443"	787.196492	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2K+H"	78.933592
"1335975"	787.284107	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+DMSO+H"	79.021207
"1005891"	791.323276	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2ACN+H"	83.060376
"1524373"	792.316908	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+IsoProp+Na+H"	84.054008
"990177"	396.165276	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+2ACN+2H"	84.067652
"1587727"	793.231528	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+K+HCOOH"	84.968628
"1414845"	823.263038	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+H+CF3COOH"	115.000138
"1147437"	416.678551	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+3ACN+2H"	125.094202
"1701250"	840.289585	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+NH4+CF3COOH"	132.026685
"1646746"	845.24498	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+Na+CF3COOH"	136.98208
"1584583"	861.21892	"C10439"	"4-Cinnamoylmussatioside"	"C34H44O16"	"708.2629"	"M+K+CF3COOH"	152.95602
"805108"	338.1002	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M"	0
"988488"	319.08181	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-H2O-H"	-19.01839
"74547"	224.392857333333	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M-3H"	-3.021828
"514107"	337.092924	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M-3H"	-3.021828
"894095"	111.692790666667	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-3H"	-3.021828
"11576"	337.092924	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M-2H"	-2.014552
"453323"	506.143024	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M-2H"	-2.014552
"828938"	168.042824	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-2H"	-2.014552
"91117"	675.193124	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M-H"	-1.007276
"532506"	1013.293324	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M-H"	-1.007276
"908483"	337.092924	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-H"	-1.007276
"56299"	692.219671	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M-2H+NH4"	16.019271
"492580"	1030.319871	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M-2H+NH4"	16.019271
"878887"	354.119471	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-2H+NH4"	16.019271
"37917"	697.175066	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M-2H+Na"	20.974666
"482214"	1035.275266	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M-2H+Na"	20.974666
"855641"	359.074866	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-2H+Na"	20.974666
"1626268"	359.074866	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Na-2H"	20.974666
"103888"	355.081263	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M-H+Cl"	33.962126
"547830"	524.131363	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M-H+Cl"	33.962126
"941708"	186.031163	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-H+Cl"	33.962126
"278808"	711.169802	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+Cl"	34.969402
"670136"	1049.270002	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+Cl"	34.969402
"1280352"	373.069602	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Cl"	34.969402
"28383"	713.149006	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M-2H+K"	36.948606
"465755"	1051.249206	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M-2H+K"	36.948606
"843556"	375.048806	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-2H+K"	36.948606
"1564858"	375.048806	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+K-2H"	36.948606
"949460"	383.098394	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-H+HCOOH"	44.998194
"363665"	721.198601	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+HCOOH-H"	44.998201
"348277"	735.214251	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+Hac-H"	59.013851
"1505495"	397.114051	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Hac-H"	59.013851
"962466"	405.080351	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-H+NaCOOH"	66.980151
"112466"	373.069602	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+2Cl"	69.938804
"552147"	542.119702	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+2Cl"	69.938804
"1028479"	204.019502	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2Cl"	69.938804
"1242591"	417.019085	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Br"	78.918885
"1308685"	419.075072	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Cl+HCOOH"	80.974872
"1332382"	441.057029	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Cl+NaCOOH"	102.956829
"922347"	451.085786	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M-H+CF3COOH"	112.985586
"1300151"	487.062464	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Cl+CF3COOH"	148.962264
"1377222"	303.087524	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H-2H2O"	-35.012676
"1382884"	321.0975	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H-H2O"	-17.0027
"291125"	677.207676	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+H"	1.007276
"683547"	1015.307876	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+H"	1.007276
"1365001"	339.107476	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H"	1.007276
"138254"	339.107476	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+2H"	2.014552
"579640"	508.157576	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+2H"	2.014552
"1047708"	170.057376	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2H"	2.014552
"208682"	226.407409333333	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+3H"	3.021828
"650065"	339.107476	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+3H"	3.021828
"1170012"	113.707342666667	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+3H"	3.021828
"433286"	694.234223	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+NH4"	18.033823
"796468"	1032.334423	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+NH4"	18.033823
"1689517"	356.134023	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+NH4"	18.033823
"336703"	347.6207495	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+H+NH4"	19.041099
"731311"	516.6708495	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+H+NH4"	19.041099
"1480762"	178.5706495	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H+NH4"	19.041099
"401628"	699.189618	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+Na"	22.989218
"760436"	1037.289818	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+Na"	22.989218
"1609630"	361.089418	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Na"	22.989218
"315412"	350.098447	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+H+Na"	23.996494
"708806"	519.148547	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+H+Na"	23.996494
"1469187"	181.048347	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H+Na"	23.996494
"1055875"	121.034656666667	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2H+Na"	25.00377
"1260835"	371.133686	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+CH3OH+H"	33.033486
"380505"	715.163558	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+K"	38.963158
"740770"	1053.263758	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+K"	38.963158
"1540387"	377.063358	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+K"	38.963158
"298903"	358.085417	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+H+K"	39.970434
"694971"	527.135517	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+H+K"	39.970434
"1448791"	189.035317	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H+K"	39.970434
"236175"	718.234226	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+ACN+H"	42.033826
"1210220"	380.134026	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+ACN+H"	42.033826
"1194710"	190.570651	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+ACN+2H"	43.041102
"189079"	721.17156	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+2Na-H"	44.97116
"629328"	1059.27176	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+2Na-H"	44.97116
"1132106"	383.07136	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2Na-H"	44.97116
"173816"	361.089418	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+2Na"	45.978436
"613984"	530.139518	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+2Na"	45.978436
"1116518"	192.039318	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2Na"	45.978436
"1399798"	128.361970666667	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H+2Na"	46.985712
"1431305"	385.112946	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H+HCOOH"	47.012746
"221250"	366.12244	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+3H2O+2H"	56.04448
"1508823"	399.16499	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+IsoProp+H"	61.06479
"408874"	369.076388	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+Na+K"	61.952376
"771086"	538.126488	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+Na+K"	61.952376
"1666321"	200.026288	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Na+K"	61.952376
"252115"	740.216168	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+ACN+Na"	64.015768
"1226649"	402.115968	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+ACN+Na"	64.015768
"1713716"	402.139493	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+NH4+HCOOH"	64.039293
"1183450"	135.689284666667	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+3Na"	68.967654
"1653708"	407.094888	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Na+HCOOH"	68.994688
"159597"	753.11944	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+2K-H"	76.91904
"601226"	1091.21964	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+2K-H"	76.91904
"1086831"	415.01924	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2K-H"	76.91904
"150207"	377.063358	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"2M+2K"	77.926316
"582720"	546.113458	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"3M+2K"	77.926316
"1069903"	208.013258	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2K"	77.926316
"1100432"	417.033792	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2K+H"	78.933592
"1336088"	417.121407	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+DMSO+H"	79.021207
"1005961"	421.160576	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2ACN+H"	83.060376
"1524927"	422.154208	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+IsoProp+Na+H"	84.054008
"990327"	211.083926	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+2ACN+2H"	84.067652
"1587219"	423.068828	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+K+HCOOH"	84.968628
"1416049"	453.100338	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+H+CF3COOH"	115.000138
"1147793"	231.597201	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+3ACN+2H"	125.094202
"1701360"	470.126885	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+NH4+CF3COOH"	132.026685
"1641388"	475.08228	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+Na+CF3COOH"	136.98208
"1584693"	491.05622	"C10441"	"4-p-Coumaroylquinic acid"	"C16H18O8"	"338.1002"	"M+K+CF3COOH"	152.95602
"805218"	368.126	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M"	0
"986414"	349.10761	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-H2O-H"	-19.01839
"77209"	244.410057333333	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M-3H"	-3.021828
"514217"	367.118724	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M-3H"	-3.021828
"894207"	121.701390666667	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-3H"	-3.021828
"13512"	367.118724	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M-2H"	-2.014552
"453434"	551.181724	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M-2H"	-2.014552
"831238"	183.055724	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-2H"	-2.014552
"92326"	735.244724	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M-H"	-1.007276
"528606"	1103.370724	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M-H"	-1.007276
"896930"	367.118724	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-H"	-1.007276
"53130"	752.271271	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M-2H+NH4"	16.019271
"488315"	1120.397271	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M-2H+NH4"	16.019271
"868304"	384.145271	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-2H+NH4"	16.019271
"41673"	757.226666	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M-2H+Na"	20.974666
"479045"	1125.352666	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M-2H+Na"	20.974666
"860858"	389.100666	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-2H+Na"	20.974666
"1629660"	389.100666	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Na-2H"	20.974666
"104000"	385.107063	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M-H+Cl"	33.962126
"547212"	569.170063	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M-H+Cl"	33.962126
"937083"	201.044063	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-H+Cl"	33.962126
"276733"	771.221402	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+Cl"	34.969402
"668059"	1139.347402	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+Cl"	34.969402
"1276089"	403.095402	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Cl"	34.969402
"26306"	773.200606	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M-2H+K"	36.948606
"462585"	1141.326606	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M-2H+K"	36.948606
"840386"	405.074606	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-2H+K"	36.948606
"1563874"	405.074606	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+K-2H"	36.948606
"947384"	413.124194	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-H+HCOOH"	44.998194
"363412"	781.250201	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+HCOOH-H"	44.998201
"348389"	795.265851	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+Hac-H"	59.013851
"1503782"	427.139851	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Hac-H"	59.013851
"961482"	435.106151	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-H+NaCOOH"	66.980151
"115857"	403.095402	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+2Cl"	69.938804
"553230"	587.158402	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+2Cl"	69.938804
"1021541"	219.032402	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2Cl"	69.938804
"1247076"	447.044885	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Br"	78.918885
"1310620"	449.100872	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Cl+HCOOH"	80.974872
"1335292"	471.082829	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Cl+NaCOOH"	102.956829
"921364"	481.111586	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M-H+CF3COOH"	112.985586
"1299168"	517.088264	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Cl+CF3COOH"	148.962264
"1374052"	333.113324	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H-2H2O"	-35.012676
"1382844"	351.1233	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H-H2O"	-17.0027
"291235"	737.259276	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+H"	1.007276
"681470"	1105.385276	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+H"	1.007276
"1364381"	369.133276	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H"	1.007276
"138364"	369.133276	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+2H"	2.014552
"579018"	553.196276	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+2H"	2.014552
"1047818"	185.070276	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2H"	2.014552
"208063"	246.424609333333	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+3H"	3.021828
"649811"	369.133276	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+3H"	3.021828
"1167936"	123.715942666667	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+3H"	3.021828
"434489"	754.285823	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+NH4"	18.033823
"794391"	1122.411823	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+NH4"	18.033823
"1689628"	386.159823	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+NH4"	18.033823
"335721"	377.6465495	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+H+NH4"	19.041099
"724862"	561.7095495	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+H+NH4"	19.041099
"1484153"	193.5835495	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H+NH4"	19.041099
"392882"	759.241218	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+Na"	22.989218
"754834"	1127.367218	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+Na"	22.989218
"1605607"	391.115218	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Na"	22.989218
"314546"	380.124247	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+H+Na"	23.996494
"711103"	564.187247	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+H+Na"	23.996494
"1466017"	196.061247	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H+Na"	23.996494
"1054892"	131.043256666667	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2H+Na"	25.00377
"1259122"	401.159486	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+CH3OH+H"	33.033486
"378428"	775.215158	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+K"	38.963158
"740880"	1143.341158	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+K"	38.963158
"1540124"	407.089158	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+K"	38.963158
"298765"	388.111217	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+H+K"	39.970434
"696540"	572.174217	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+H+K"	39.970434
"1445984"	204.048217	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H+K"	39.970434
"236410"	778.285826	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+ACN+H"	42.033826
"1210453"	410.159826	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+ACN+H"	42.033826
"1194307"	205.583551	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+ACN+2H"	43.041102
"188661"	781.22316	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+2Na-H"	44.97116
"628522"	1149.34916	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+2Na-H"	44.97116
"1132582"	413.09716	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2Na-H"	44.97116
"173686"	391.115218	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+2Na"	45.978436
"612888"	575.178218	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+2Na"	45.978436
"1117479"	207.052218	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2Na"	45.978436
"1399544"	138.370570666667	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H+2Na"	46.985712
"1431295"	415.138746	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H+HCOOH"	47.012746
"221361"	396.14824	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+3H2O+2H"	56.04448
"1508507"	429.19079	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+IsoProp+H"	61.06479
"408741"	399.102188	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+Na+K"	61.952376
"770830"	583.165188	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+Na+K"	61.952376
"1665600"	215.039188	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Na+K"	61.952376
"251783"	800.267768	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+ACN+Na"	64.015768
"1226883"	432.141768	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+ACN+Na"	64.015768
"1713824"	432.165293	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+NH4+HCOOH"	64.039293
"1179056"	145.697884666667	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+3Na"	68.967654
"1651629"	437.120688	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Na+HCOOH"	68.994688
"160071"	813.17104	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+2K-H"	76.91904
"602430"	1181.29704	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+2K-H"	76.91904
"1086941"	445.04504	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2K-H"	76.91904
"148132"	407.089158	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"2M+2K"	77.926316
"582344"	591.152158	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"3M+2K"	77.926316
"1068603"	223.026158	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2K"	77.926316
"1099932"	447.059592	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2K+H"	78.933592
"1336203"	447.147207	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+DMSO+H"	79.021207
"1005950"	451.186376	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2ACN+H"	83.060376
"1524275"	452.180008	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+IsoProp+Na+H"	84.054008
"989942"	226.096826	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+2ACN+2H"	84.067652
"1587211"	453.094628	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+K+HCOOH"	84.968628
"1414455"	483.126138	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+H+CF3COOH"	115.000138
"1148028"	246.610101	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+3ACN+2H"	125.094202
"1700377"	500.152685	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+NH4+CF3COOH"	132.026685
"1643684"	505.10808	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+Na+CF3COOH"	136.98208
"1576054"	521.08202	"C10443"	"Curcumin;Kacha haldi"	"C21H20O6"	"368.126"	"M+K+CF3COOH"	152.95602
"805328"	287.1158	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M"	0
"986523"	268.09741	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"74767"	190.403257333333	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"517244"	286.108524	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"891767"	94.6979906666667	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"11799"	286.108524	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"450264"	429.666424	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"830012"	142.550624	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"92315"	573.224324	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"531269"	860.340124	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"897405"	286.108524	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"48500"	590.250871	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"488790"	877.366671	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"865497"	303.135071	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"38503"	595.206266	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"483530"	882.322066	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"862669"	308.090466	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1632933"	308.090466	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"104111"	304.096863	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"546958"	447.654763	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"939379"	160.538963	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"280122"	609.201002	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"669263"	896.316802	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1277293"	322.085202	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"26418"	611.180206	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"464882"	898.296006	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"842683"	324.064406	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1566171"	324.064406	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"955149"	332.113994	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"368990"	619.229801	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"347406"	633.245451	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1496238"	346.129651	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"959406"	354.095951	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"118155"	322.085202	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"555527"	465.643102	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1026513"	178.527302	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1247186"	366.034685	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1310731"	368.090672	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1333333"	390.072629	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"923664"	400.101386	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1295998"	436.078064	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1375255"	252.103124	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1383139"	270.1131	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"291345"	575.238876	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"682674"	862.354676	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1362304"	288.123076	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"136288"	288.123076	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"579128"	431.680976	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1047928"	144.565176	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"210361"	192.417809333333	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"656481"	288.123076	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1178214"	96.7125426666667	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"432413"	592.265423	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"793408"	879.381223	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1685365"	305.149623	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"338018"	296.6363495	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"727159"	440.1942495	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1480984"	153.0784495	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"393706"	597.220818	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"755066"	884.336618	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1604382"	310.105018	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"318793"	299.114047	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"711213"	442.671947	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1467221"	155.556147	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1058282"	104.039856666667	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1259962"	320.149286	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"377807"	613.194758	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"741720"	900.310558	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1540609"	326.078958	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"299119"	307.101017	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"699201"	450.658917	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1449741"	163.543117	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"238344"	616.265426	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1211903"	329.149626	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1194604"	165.078451	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"188774"	619.20276	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"629187"	906.31856	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1133056"	332.08696	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"174889"	310.105018	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"615179"	453.662918	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1117955"	166.547118	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1400384"	111.367170666667	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1431770"	334.128546	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"222565"	315.13804	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1510623"	348.18059	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"410308"	318.091988	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"772396"	461.649888	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1666910"	174.534088	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"251972"	638.247368	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1226991"	351.131568	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1713575"	351.155093	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1178594"	118.694484666667	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1650193"	356.110488	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"157257"	651.15064	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"597420"	938.26644	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1084244"	364.03484	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"142029"	326.078958	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"581549"	469.636858	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1068815"	182.521058	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1102226"	366.049392	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1335777"	366.137007	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1005641"	370.176176	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1524262"	371.169808	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"989962"	185.591726	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1587124"	372.084428	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1414308"	402.115938	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1148016"	206.105001	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1697571"	419.142485	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1638326"	424.09788	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1576164"	440.07182	"C10444"	"3-Demethoxypiplartine"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"808718"	516.1268	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M"	0
"988091"	497.10841	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-H2O-H"	-19.01839
"72690"	343.077257333333	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M-3H"	-3.021828
"515531"	515.119524	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M-3H"	-3.021828
"891145"	171.034990666667	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-3H"	-3.021828
"13001"	515.119524	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M-2H"	-2.014552
"450374"	773.182924	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M-2H"	-2.014552
"829271"	257.056124	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-2H"	-2.014552
"91089"	1031.246324	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M-H"	-1.007276
"528827"	1547.373124	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M-H"	-1.007276
"896055"	515.119524	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-H"	-1.007276
"47876"	1048.272871	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M-2H+NH4"	16.019271
"489994"	1564.399671	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M-2H+NH4"	16.019271
"865971"	532.146071	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-2H+NH4"	16.019271
"40800"	1053.228266	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M-2H+Na"	20.974666
"482547"	1569.355066	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M-2H+Na"	20.974666
"860713"	537.101466	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-2H+Na"	20.974666
"1631704"	537.101466	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Na-2H"	20.974666
"103128"	533.107863	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M-H+Cl"	33.962126
"544882"	791.171263	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M-H+Cl"	33.962126
"936208"	275.044463	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-H+Cl"	33.962126
"279139"	1067.223002	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+Cl"	34.969402
"666091"	1583.349802	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+Cl"	34.969402
"1273391"	551.096202	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Cl"	34.969402
"25435"	1069.202206	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M-2H+K"	36.948606
"461712"	1585.329006	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M-2H+K"	36.948606
"842793"	553.075406	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-2H+K"	36.948606
"1564094"	553.075406	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+K-2H"	36.948606
"954166"	561.124994	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-H+HCOOH"	44.998194
"371288"	1077.251801	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+HCOOH-H"	44.998201
"354077"	1091.267451	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+Hac-H"	59.013851
"1495254"	575.140651	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Hac-H"	59.013851
"960609"	583.106951	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-H+NaCOOH"	66.980151
"116076"	551.096202	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+2Cl"	69.938804
"557824"	809.159602	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+2Cl"	69.938804
"1028810"	293.032802	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2Cl"	69.938804
"1248390"	595.045685	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Br"	78.918885
"1310841"	597.101672	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Cl+HCOOH"	80.974872
"1333445"	619.083629	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Cl+NaCOOH"	102.956829
"923410"	629.112386	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M-H+CF3COOH"	112.985586
"1298295"	665.089064	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Cl+CF3COOH"	148.962264
"1369897"	481.114124	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H-2H2O"	-35.012676
"1387394"	499.1241	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H-H2O"	-17.0027
"283431"	1033.260876	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+H"	1.007276
"684606"	1549.387676	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+H"	1.007276
"1361321"	517.134076	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H"	1.007276
"137129"	517.134076	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+2H"	2.014552
"573408"	775.197476	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+2H"	2.014552
"1043665"	259.070676	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2H"	2.014552
"211564"	345.091809333333	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+3H"	3.021828
"654404"	517.134076	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+3H"	3.021828
"1177838"	173.049542666667	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+3H"	3.021828
"432523"	1050.287423	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+NH4"	18.033823
"791330"	1566.414223	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+NH4"	18.033823
"1683289"	534.160623	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+NH4"	18.033823
"332661"	525.6473495	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+H+NH4"	19.041099
"726176"	783.7107495	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+H+NH4"	19.041099
"1477931"	267.5839495	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H+NH4"	19.041099
"393566"	1055.242818	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+Na"	22.989218
"754688"	1571.369618	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+Na"	22.989218
"1603395"	539.116018	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Na"	22.989218
"315624"	528.125047	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+H+Na"	23.996494
"712417"	786.188447	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+H+Na"	23.996494
"1467331"	270.061647	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H+Na"	23.996494
"1056204"	180.376856666667	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2H+Na"	25.00377
"1259707"	549.160286	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+CH3OH+H"	33.033486
"379378"	1071.216758	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+K"	38.963158
"742558"	1587.343558	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+K"	38.963158
"1540841"	555.089958	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+K"	38.963158
"298865"	536.112017	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+H+K"	39.970434
"692138"	794.175417	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+H+K"	39.970434
"1446811"	278.048617	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H+K"	39.970434
"236994"	1074.287426	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+ACN+H"	42.033826
"1210310"	558.160626	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+ACN+H"	42.033826
"1195041"	279.583951	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+ACN+2H"	43.041102
"189488"	1077.22476	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+2Na-H"	44.97116
"630391"	1593.35156	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+2Na-H"	44.97116
"1134624"	561.09796	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2Na-H"	44.97116
"175730"	539.116018	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+2Na"	45.978436
"620029"	797.179418	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+2Na"	45.978436
"1121347"	281.052618	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2Na"	45.978436
"1404872"	187.704170666667	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H+2Na"	46.985712
"1432245"	563.139546	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H+HCOOH"	47.012746
"221944"	544.14904	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+3H2O+2H"	56.04448
"1510737"	577.19159	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+IsoProp+H"	61.06479
"410784"	547.102988	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+Na+K"	61.952376
"771780"	805.166388	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+Na+K"	61.952376
"1667138"	289.039588	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Na+K"	61.952376
"253174"	1096.269368	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+ACN+Na"	64.015768
"1228805"	580.142568	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+ACN+Na"	64.015768
"1713801"	580.166093	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+NH4+HCOOH"	64.039293
"1179402"	195.031484666667	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+3Na"	68.967654
"1650183"	585.121488	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Na+HCOOH"	68.994688
"157736"	1109.17264	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+2K-H"	76.91904
"597412"	1625.29944	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+2K-H"	76.91904
"1086050"	593.04584	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2K-H"	76.91904
"142180"	555.089958	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"2M+2K"	77.926316
"582069"	813.153358	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"3M+2K"	77.926316
"1069375"	297.026558	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2K"	77.926316
"1100315"	595.060392	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2K+H"	78.933592
"1335896"	595.148007	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+DMSO+H"	79.021207
"1005722"	599.187176	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2ACN+H"	83.060376
"1524660"	600.180808	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+IsoProp+Na+H"	84.054008
"990133"	300.097226	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+2ACN+2H"	84.067652
"1587052"	601.095428	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+K+HCOOH"	84.968628
"1414675"	631.126938	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+H+CF3COOH"	115.000138
"1147762"	320.610501	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+3ACN+2H"	125.094202
"1697678"	648.153485	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+NH4+CF3COOH"	132.026685
"1639530"	653.10888	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+Na+CF3COOH"	136.98208
"1576274"	669.08282	"C10445"	"13-Dicaffeoylquinic acid;Cynarin"	"C25H24O12"	"516.1268"	"M+K+CF3COOH"	152.95602
"815389"	386.1002	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M"	0
"989879"	367.08181	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-H2O-H"	-19.01839
"77171"	256.392857333333	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M-3H"	-3.021828
"517826"	385.092924	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M-3H"	-3.021828
"895489"	127.692790666667	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-3H"	-3.021828
"14934"	385.092924	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M-2H"	-2.014552
"455593"	578.143024	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M-2H"	-2.014552
"832655"	192.042824	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-2H"	-2.014552
"94161"	771.193124	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M-H"	-1.007276
"533188"	1157.293324	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M-H"	-1.007276
"904553"	385.092924	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-H"	-1.007276
"53461"	788.219671	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M-2H+NH4"	16.019271
"493022"	1174.319871	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M-2H+NH4"	16.019271
"875197"	402.119471	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-2H+NH4"	16.019271
"44191"	793.175066	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M-2H+Na"	20.974666
"486062"	1179.275266	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M-2H+Na"	20.974666
"860094"	407.074866	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-2H+Na"	20.974666
"1627803"	407.074866	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Na-2H"	20.974666
"101051"	403.081263	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M-H+Cl"	33.962126
"546086"	596.131363	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M-H+Cl"	33.962126
"940328"	210.031163	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-H+Cl"	33.962126
"280950"	807.169802	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+Cl"	34.969402
"671669"	1193.270002	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+Cl"	34.969402
"1279700"	421.069602	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Cl"	34.969402
"27731"	809.149006	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M-2H+K"	36.948606
"458541"	1195.249206	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M-2H+K"	36.948606
"839624"	423.048806	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-2H+K"	36.948606
"1565300"	423.048806	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+K-2H"	36.948606
"954277"	431.098394	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-H+HCOOH"	44.998194
"370304"	817.198601	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+HCOOH-H"	44.998201
"360022"	831.214251	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+Hac-H"	59.013851
"1501928"	445.114051	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Hac-H"	59.013851
"964001"	453.080351	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-H+NaCOOH"	66.980151
"118375"	421.069602	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+2Cl"	69.938804
"561215"	614.119702	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+2Cl"	69.938804
"1030017"	228.019502	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2Cl"	69.938804
"1249597"	465.019085	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Br"	78.918885
"1317513"	467.075072	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Cl+HCOOH"	80.974872
"1333196"	489.057029	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Cl+NaCOOH"	102.956829
"924982"	499.085786	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M-H+CF3COOH"	112.985586
"1301321"	535.062464	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Cl+CF3COOH"	148.962264
"1376567"	351.087524	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H-2H2O"	-35.012676
"1388597"	369.0975	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H-H2O"	-17.0027
"290469"	773.207676	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+H"	1.007276
"685079"	1159.307876	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+H"	1.007276
"1358150"	387.107476	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H"	1.007276
"135415"	387.107476	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+2H"	2.014552
"572787"	580.157576	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+2H"	2.014552
"1048148"	194.057376	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2H"	2.014552
"209487"	258.407409333333	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+3H"	3.021828
"650142"	387.107476	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+3H"	3.021828
"1173735"	129.707342666667	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+3H"	3.021828
"430446"	790.234223	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+NH4"	18.033823
"793628"	1176.334423	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+NH4"	18.033823
"1685951"	404.134023	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+NH4"	18.033823
"333136"	395.6207495	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+H+NH4"	19.041099
"725194"	588.6708495	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+H+NH4"	19.041099
"1484485"	202.5706495	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H+NH4"	19.041099
"397696"	795.189618	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+Na"	22.989218
"757597"	1181.289818	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+Na"	22.989218
"1607883"	409.089418	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Na"	22.989218
"321203"	398.098447	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+H+Na"	23.996494
"715809"	591.148547	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+H+Na"	23.996494
"1471815"	205.048347	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H+Na"	23.996494
"1060693"	137.034656666667	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2H+Na"	25.00377
"1263464"	419.133686	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+CH3OH+H"	33.033486
"384229"	811.163558	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+K"	38.963158
"742671"	1197.263758	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+K"	38.963158
"1544722"	425.063358	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+K"	38.963158
"301168"	406.085417	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+H+K"	39.970434
"693225"	599.135517	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+H+K"	39.970434
"1453972"	213.035317	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H+K"	39.970434
"241845"	814.234226	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+ACN+H"	42.033826
"1210907"	428.134026	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+ACN+H"	42.033826
"1195517"	214.570651	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+ACN+2H"	43.041102
"190091"	817.17156	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+2Na-H"	44.97116
"630502"	1203.27176	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+2Na-H"	44.97116
"1136564"	431.07136	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2Na-H"	44.97116
"176936"	409.089418	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+2Na"	45.978436
"619046"	602.139518	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+2Na"	45.978436
"1119268"	216.039318	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2Na"	45.978436
"1402795"	144.361970666667	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H+2Na"	46.985712
"1434911"	433.112946	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H+HCOOH"	47.012746
"221327"	414.12244	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+3H2O+2H"	56.04448
"1510484"	447.16499	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+IsoProp+H"	61.06479
"409076"	417.076388	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+Na+K"	61.952376
"774449"	610.126488	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+Na+K"	61.952376
"1667865"	224.026288	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Na+K"	61.952376
"254388"	836.216168	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+ACN+Na"	64.015768
"1229283"	450.115968	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+ACN+Na"	64.015768
"1717441"	450.139493	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+NH4+HCOOH"	64.039293
"1182067"	151.689284666667	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+3Na"	68.967654
"1652328"	455.094888	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Na+HCOOH"	68.994688
"158582"	849.11944	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+2K-H"	76.91904
"600210"	1235.21964	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+2K-H"	76.91904
"1084350"	463.01924	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2K-H"	76.91904
"141652"	425.063358	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"2M+2K"	77.926316
"584013"	618.113458	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"3M+2K"	77.926316
"1068762"	232.013258	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2K"	77.926316
"1101126"	465.033792	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2K+H"	78.933592
"1336174"	465.121407	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+DMSO+H"	79.021207
"1007504"	469.160576	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2ACN+H"	83.060376
"1524893"	470.154208	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+IsoProp+Na+H"	84.054008
"990371"	235.083926	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+2ACN+2H"	84.067652
"1593020"	471.068828	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+K+HCOOH"	84.968628
"1420866"	501.100338	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+H+CF3COOH"	115.000138
"1150424"	255.597201	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+3ACN+2H"	125.094202
"1697912"	518.126885	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+NH4+CF3COOH"	132.026685
"1641827"	523.08228	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+Na+CF3COOH"	136.98208
"1576384"	539.05622	"C10446"	"Diferulic acid"	"C20H18O8"	"386.1002"	"M+K+CF3COOH"	152.95602
"815135"	182.0579	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M"	0
"986854"	163.03951	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"75096"	120.364657333333	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"516479"	181.050624	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"891364"	59.6786906666667	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"12125"	181.050624	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"448405"	272.079574	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"831675"	90.021674	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"92760"	363.108524	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"532323"	545.166424	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"910858"	181.050624	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"62525"	380.135071	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"502697"	562.192971	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"878953"	198.077171	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"44301"	385.090466	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"487058"	567.148366	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"864209"	203.032566	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1633385"	203.032566	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"106629"	199.038963	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"549725"	290.067913	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"938615"	108.010013	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"281060"	399.085202	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"675471"	581.143102	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1286006"	217.027302	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"24554"	401.064406	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"466307"	583.122306	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"841922"	219.006506	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1567600"	219.006506	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"951105"	227.056094	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"376816"	409.114001	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"360131"	423.129651	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1505317"	241.071751	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"968485"	249.038051	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"120672"	217.027302	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"563512"	308.056252	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1034501"	125.998352	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1256634"	260.976785	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1319448"	263.032772	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1335174"	285.014729	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"926553"	295.043486	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1303748"	331.020164	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1374492"	147.045224	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1395633"	165.0552	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"296780"	365.123076	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"688108"	547.180976	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1360450"	183.065176	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"139903"	183.065176	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"578369"	274.094126	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1048627"	92.036226	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"218353"	122.379209333333	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"653535"	183.065176	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1172754"	61.6932426666667	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"431654"	382.149623	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"797023"	564.207523	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1692261"	200.091723	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"342725"	191.5784495	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"730773"	282.6073995	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1488969"	100.5494995	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"403276"	387.105018	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"764270"	569.162918	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1611277"	205.047118	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"321314"	194.056147	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"718107"	285.085097	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1468647"	103.027197	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1061896"	69.0205566666667	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1264667"	215.091386	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"387620"	403.078958	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"743511"	585.136858	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1546654"	221.021058	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"302014"	202.043117	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"696255"	293.072067	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1447888"	111.014167	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"240500"	406.149626	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1215032"	224.091726	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1196727"	112.549501	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"189599"	409.08696	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"630247"	591.14486	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1136675"	227.02906	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"179599"	205.047118	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"616971"	296.076068	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1119745"	114.018168	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1402176"	76.3478706666667	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1432102"	229.070646	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"224355"	210.08014	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1509013"	243.12269	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"412834"	213.034088	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"772370"	304.063038	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1671259"	122.005138	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"254863"	428.131568	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1231215"	246.073668	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1716824"	246.097193	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1182180"	83.6751846666667	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1657541"	251.052588	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"162217"	441.03484	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"605059"	623.09274	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1085073"	258.97694	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"141644"	221.021058	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"583396"	312.050008	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1069365"	129.992108	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1104763"	260.991492	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1345522"	261.079107	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1008587"	265.118276	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1525859"	266.111908	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"993159"	133.062776	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1594223"	267.026528	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1422069"	297.058038	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1149077"	153.576051	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1698631"	314.084585	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1641937"	319.03998	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1576494"	335.01392	"C10447"	"34-Dihydroxyphenylpropanoate;Dihydrocaffeic acid;34-Dihydroxyphenylpropionic acid;3-(34-Dihydroxyphenyl)propanoate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"809048"	182.0943	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M"	0
"986960"	163.07591	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"75204"	120.388924	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"516952"	181.087024	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"891470"	59.690824	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"7859"	181.087024	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"451794"	272.134174	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"831784"	90.039874	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"91775"	363.181324	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"529152"	545.275624	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"909508"	181.087024	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"60603"	380.207871	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"500410"	562.302171	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"875781"	198.113571	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"42225"	385.163266	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"483973"	567.257566	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"861410"	203.068966	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1628753"	203.068966	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"104551"	199.075363	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"548491"	290.122513	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"939818"	108.028213	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"281656"	399.158002	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"671889"	581.252302	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1283199"	217.063702	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"21383"	401.137206	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"460949"	583.231506	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"836563"	219.042906	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1563331"	219.042906	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"955590"	227.092494	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"375265"	409.186801	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"359149"	423.202451	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1502147"	241.108151	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"969324"	249.074451	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"114220"	217.063702	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"558155"	308.110852	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1034611"	126.016552	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1256261"	261.013185	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1318954"	263.069172	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1334636"	285.051129	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"925938"	295.079886	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1302767"	331.056564	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1374602"	147.081624	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1397571"	165.0916	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"297254"	365.195876	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"687489"	547.290176	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1360555"	183.101576	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"139649"	183.101576	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"580182"	274.148726	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1052142"	92.054426	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"218461"	122.403476	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"653645"	183.101576	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1171771"	61.705376	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"437962"	382.222423	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"798228"	564.316723	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1694196"	200.128123	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"341743"	191.6148495	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"733071"	282.6619995	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1489080"	100.5676995	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"405573"	387.177818	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"765475"	569.272118	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1612481"	205.083518	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"320331"	194.092547	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"713844"	285.139697	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1469854"	103.045397	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1062006"	69.03269	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1264777"	215.127786	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"387730"	403.151758	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"743257"	585.246058	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1547494"	221.057458	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"304676"	202.079517	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"696001"	293.126667	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1449822"	111.032367	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"243890"	406.222426	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1212954"	224.128126	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1197931"	112.567701	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"190802"	409.15976	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"633280"	591.25406	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1136785"	227.06546	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"178980"	205.083518	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"616716"	296.130668	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1118761"	114.036368	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1401555"	76.360004	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1432576"	229.107046	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"223736"	210.11654	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1509609"	243.15909	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"411849"	213.070488	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"772480"	304.117638	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1668817"	122.023338	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"254241"	428.204368	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1230231"	246.110068	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1715841"	246.133593	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1184477"	83.687318	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1653275"	251.088988	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"161234"	441.10764	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"605169"	623.20194	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1086400"	259.01334	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"143338"	221.057458	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"583870"	312.104608	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1073851"	130.010308	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1108153"	261.027892	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1342352"	261.115507	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1011977"	265.154676	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1526821"	266.148308	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"993268"	133.080976	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1594333"	267.062928	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1418899"	297.094438	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1149187"	153.594251	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1698741"	314.120985	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1640954"	319.07638	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1576604"	335.05032	"C10448"	"Dihydroconiferyl alcohol;4-Hydroxy-3-methoxy-benzenepropanol"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"805878"	222.0892	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M"	0
"988166"	203.07081	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-H2O-H"	-19.01839
"77497"	147.052190666667	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M-3H"	-3.021828
"514875"	221.081924	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M-3H"	-3.021828
"894496"	73.0224573333333	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-3H"	-3.021828
"13436"	221.081924	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M-2H"	-2.014552
"453970"	332.126524	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M-2H"	-2.014552
"832020"	110.037324	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-2H"	-2.014552
"93957"	443.171124	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M-H"	-1.007276
"529262"	665.260324	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M-H"	-1.007276
"905971"	221.081924	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-H"	-1.007276
"61323"	460.197671	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M-2H+NH4"	16.019271
"498454"	682.286871	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M-2H+NH4"	16.019271
"876985"	238.108471	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-2H+NH4"	16.019271
"40877"	465.153066	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M-2H+Na"	20.974666
"484326"	687.242266	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M-2H+Na"	20.974666
"861154"	243.063866	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-2H+Na"	20.974666
"1630686"	243.063866	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Na-2H"	20.974666
"104661"	239.070263	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M-H+Cl"	33.962126
"547145"	350.114863	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M-H+Cl"	33.962126
"934461"	128.025663	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-H+Cl"	33.962126
"278485"	479.147802	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+Cl"	34.969402
"670906"	701.237002	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+Cl"	34.969402
"1280029"	257.058602	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Cl"	34.969402
"18213"	481.127006	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M-2H+K"	36.948606
"465433"	703.216206	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M-2H+K"	36.948606
"839954"	259.037806	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-2H+K"	36.948606
"1563441"	259.037806	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+K-2H"	36.948606
"953513"	267.087394	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-H+HCOOH"	44.998194
"376348"	489.176601	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+HCOOH-H"	44.998201
"360922"	503.192251	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+Hac-H"	59.013851
"1504809"	281.103051	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Hac-H"	59.013851
"965423"	289.069351	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-H+NaCOOH"	66.980151
"116517"	257.058602	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+2Cl"	69.938804
"558265"	368.103202	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+2Cl"	69.938804
"1035087"	146.014002	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2Cl"	69.938804
"1256369"	301.008085	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Br"	78.918885
"1319808"	303.064072	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Cl+HCOOH"	80.974872
"1334987"	325.046029	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Cl+NaCOOH"	102.956829
"926652"	335.074786	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M-H+CF3COOH"	112.985586
"1303762"	371.051464	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Cl+CF3COOH"	148.962264
"1379815"	187.076524	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H-2H2O"	-35.012676
"1397803"	205.0865	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H-H2O"	-17.0027
"296269"	445.185676	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+H"	1.007276
"688690"	667.274876	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+H"	1.007276
"1357385"	223.096476	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H"	1.007276
"133558"	223.096476	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+2H"	2.014552
"577497"	334.141076	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+2H"	2.014552
"1047752"	112.051876	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2H"	2.014552
"217477"	149.066742666667	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+3H"	3.021828
"650475"	223.096476	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+3H"	3.021828
"1170787"	75.0370093333333	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+3H"	3.021828
"434061"	462.212223	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+NH4"	18.033823
"795425"	684.301423	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+NH4"	18.033823
"1693579"	240.123023	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+NH4"	18.033823
"340396"	231.6097495	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+H+NH4"	19.041099
"732817"	342.6543495	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+H+NH4"	19.041099
"1491378"	120.5651495	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H+NH4"	19.041099
"401308"	467.167618	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+Na"	22.989218
"764857"	689.256818	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+Na"	22.989218
"1612956"	245.078418	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Na"	22.989218
"326274"	234.087447	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+H+Na"	23.996494
"717236"	345.132047	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+H+Na"	23.996494
"1469964"	123.042847	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H+Na"	23.996494
"1062116"	82.3643233333333	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2H+Na"	25.00377
"1264889"	255.122686	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+CH3OH+H"	33.033486
"386747"	483.141558	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+K"	38.963158
"745555"	705.230758	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+K"	38.963158
"1545419"	261.052358	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+K"	38.963158
"300412"	242.074417	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+H+K"	39.970434
"693560"	353.119017	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+H+K"	39.970434
"1448836"	131.029817	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H+K"	39.970434
"241813"	486.212226	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+ACN+H"	42.033826
"1211970"	264.123026	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+ACN+H"	42.033826
"1195126"	132.565151	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+ACN+2H"	43.041102
"188736"	489.14956	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+2Na-H"	44.97116
"630473"	711.23876	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+2Na-H"	44.97116
"1135436"	267.06036	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2Na-H"	44.97116
"177632"	245.078418	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+2Na"	45.978436
"618285"	356.123018	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+2Na"	45.978436
"1118507"	134.033818	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2Na"	45.978436
"1401665"	89.6916373333333	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H+2Na"	46.985712
"1431228"	269.101946	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H+HCOOH"	47.012746
"221654"	250.11144	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+3H2O+2H"	56.04448
"1508987"	283.15399	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+IsoProp+H"	61.06479
"410498"	253.065388	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+Na+K"	61.952376
"772954"	364.109988	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+Na+K"	61.952376
"1669291"	142.020788	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Na+K"	61.952376
"254355"	508.194168	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+ACN+Na"	64.015768
"1231435"	286.104968	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+ACN+Na"	64.015768
"1718138"	286.128493	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+NH4+HCOOH"	64.039293
"1184587"	97.0189513333333	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+3Na"	68.967654
"1653385"	291.083888	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Na+HCOOH"	68.994688
"166812"	521.09744	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+2K-H"	76.91904
"603093"	743.18664	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+2K-H"	76.91904
"1086511"	299.00824	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2K-H"	76.91904
"146609"	261.052358	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"2M+2K"	77.926316
"586168"	372.096958	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"3M+2K"	77.926316
"1077241"	150.007758	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2K"	77.926316
"1108263"	301.022792	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2K+H"	78.933592
"1342462"	301.110407	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+DMSO+H"	79.021207
"1012087"	305.149576	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2ACN+H"	83.060376
"1529117"	306.143208	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+IsoProp+Na+H"	84.054008
"993378"	153.078426	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+2ACN+2H"	84.067652
"1593349"	307.057828	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+K+HCOOH"	84.968628
"1421195"	337.089338	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+H+CF3COOH"	115.000138
"1148203"	173.591701	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+3ACN+2H"	125.094202
"1699945"	354.115885	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+NH4+CF3COOH"	132.026685
"1644344"	359.07128	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+Na+CF3COOH"	136.98208
"1576714"	375.04522	"C10449"	"Dillapiole;Dillapiol"	"C12H14O4"	"222.0892"	"M+K+CF3COOH"	152.95602
"805988"	786.2582	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M"	0
"988273"	767.23981	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-H2O-H"	-19.01839
"73234"	523.164857333333	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M-3H"	-3.021828
"517168"	785.250924	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M-3H"	-3.021828
"890596"	261.078790666667	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-3H"	-3.021828
"12452"	785.250924	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M-2H"	-2.014552
"450920"	1178.380024	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M-2H"	-2.014552
"832129"	392.121824	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-2H"	-2.014552
"91995"	1571.509124	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M-H"	-1.007276
"526092"	2357.767324	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M-H"	-1.007276
"906080"	785.250924	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-H"	-1.007276
"58268"	1588.535671	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M-2H+NH4"	16.019271
"500508"	2374.793871	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M-2H+NH4"	16.019271
"876001"	802.277471	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-2H+NH4"	16.019271
"43902"	1593.491066	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M-2H+Na"	20.974666
"483465"	2379.749266	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M-2H+Na"	20.974666
"861265"	807.232866	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-2H+Na"	20.974666
"1632254"	807.232866	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Na-2H"	20.974666
"104770"	803.239263	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M-H+Cl"	33.962126
"546890"	1196.368363	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M-H+Cl"	33.962126
"936758"	410.110163	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-H+Cl"	33.962126
"278596"	1607.485802	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+Cl"	34.969402
"671016"	2393.744002	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+Cl"	34.969402
"1276859"	821.227602	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Cl"	34.969402
"22697"	1609.465006	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M-2H+K"	36.948606
"465543"	2395.723206	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M-2H+K"	36.948606
"837877"	823.206806	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-2H+K"	36.948606
"1561364"	823.206806	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+K-2H"	36.948606
"955082"	831.256394	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-H+HCOOH"	44.998194
"375120"	1617.514601	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+HCOOH-H"	44.998201
"361076"	1631.530251	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+Hac-H"	59.013851
"1504553"	845.272051	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Hac-H"	59.013851
"965533"	853.238351	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-H+NaCOOH"	66.980151
"114440"	821.227602	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+2Cl"	69.938804
"559468"	1214.356702	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+2Cl"	69.938804
"1035561"	428.098502	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2Cl"	69.938804
"1256803"	865.177085	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Br"	78.918885
"1319413"	867.233072	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Cl+HCOOH"	80.974872
"1334609"	889.215029	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Cl+NaCOOH"	102.956829
"926151"	899.243786	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M-H+CF3COOH"	112.985586
"1301763"	935.220464	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Cl+CF3COOH"	148.962264
"1379561"	751.245524	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H-2H2O"	-35.012676
"1397789"	769.2555	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H-H2O"	-17.0027
"296743"	1573.523676	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+H"	1.007276
"689528"	2359.781876	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+H"	1.007276
"1355308"	787.265476	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H"	1.007276
"134761"	787.265476	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+2H"	2.014552
"576875"	1180.394576	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+2H"	2.014552
"1048227"	394.136376	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2H"	2.014552
"212848"	525.179409333333	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+3H"	3.021828
"651676"	787.265476	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+3H"	3.021828
"1168709"	263.093342666667	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+3H"	3.021828
"433077"	1590.550223	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+NH4"	18.033823
"795897"	2376.808423	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+NH4"	18.033823
"1690405"	804.292023	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+NH4"	18.033823
"338682"	795.7787495	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+H+NH4"	19.041099
"734749"	1188.9078495	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+H+NH4"	19.041099
"1487841"	402.6496495	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H+NH4"	19.041099
"403970"	1595.505618	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+Na"	22.989218
"764967"	2381.763818	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+Na"	22.989218
"1612701"	809.247418	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Na"	22.989218
"326384"	798.256447	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+H+Na"	23.996494
"719899"	1191.385547	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+H+Na"	23.996494
"1470803"	405.127347	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H+Na"	23.996494
"1058946"	270.420656666667	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2H+Na"	25.00377
"1270101"	819.291686	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+CH3OH+H"	33.033486
"385765"	1611.479558	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+K"	38.963158
"743482"	2397.737758	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+K"	38.963158
"1548809"	825.221358	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+K"	38.963158
"304895"	806.243417	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+H+K"	39.970434
"695492"	1199.372517	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+H+K"	39.970434
"1450040"	413.114317	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H+K"	39.970434
"245203"	1614.550226	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+ACN+H"	42.033826
"1213174"	828.292026	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+ACN+H"	42.033826
"1195236"	414.649651	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+ACN+2H"	43.041102
"188996"	1617.48756	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+2Na-H"	44.97116
"631312"	2403.74576	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+2Na-H"	44.97116
"1135910"	831.22936	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2Na-H"	44.97116
"177742"	809.247418	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+2Na"	45.978436
"616936"	1202.376518	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+2Na"	45.978436
"1118617"	416.118318	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2Na"	45.978436
"1403598"	277.747970666667	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H+2Na"	46.985712
"1431704"	833.270946	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H+HCOOH"	47.012746
"221401"	814.28044	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+3H2O+2H"	56.04448
"1508851"	847.32299	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+IsoProp+H"	61.06479
"410245"	817.234388	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+Na+K"	61.952376
"772700"	1210.363488	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+Na+K"	61.952376
"1667946"	424.105288	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Na+K"	61.952376
"257744"	1636.532168	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+ACN+Na"	64.015768
"1230452"	850.273968	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+ACN+Na"	64.015768
"1717155"	850.297493	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+NH4+HCOOH"	64.039293
"1183604"	285.075284666667	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+3Na"	68.967654
"1654589"	855.252888	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Na+HCOOH"	68.994688
"168016"	1649.43544	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+2K-H"	76.91904
"603201"	2435.69364	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+2K-H"	76.91904
"1090996"	863.17724	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2K-H"	76.91904
"146719"	825.221358	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"2M+2K"	77.926316
"589560"	1218.350458	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"3M+2K"	77.926316
"1069940"	432.092258	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2K"	77.926316
"1110561"	865.191792	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2K+H"	78.933592
"1345852"	865.279407	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+DMSO+H"	79.021207
"1013292"	869.318576	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2ACN+H"	83.060376
"1529228"	870.312208	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+IsoProp+Na+H"	84.054008
"993488"	435.162926	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+2ACN+2H"	84.067652
"1593459"	871.226828	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+K+HCOOH"	84.968628
"1418025"	901.258338	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+H+CF3COOH"	115.000138
"1150499"	455.676201	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+3ACN+2H"	125.094202
"1700055"	918.284885	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+NH4+CF3COOH"	132.026685
"1646641"	923.24028	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+Na+CF3COOH"	136.98208
"1576824"	939.21422	"C10450"	"Echinacoside"	"C35H46O20"	"786.2582"	"M+K+CF3COOH"	152.95602
"812659"	208.1099	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M"	0
"989478"	189.09151	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"73344"	137.732657333333	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"512904"	207.102624	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"887424"	68.3626906666667	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"12562"	207.102624	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"451028"	311.157574	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"823362"	103.047674	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"86633"	415.212524	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"528389"	623.322424	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"908377"	207.102624	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"58378"	432.239071	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"502447"	640.348971	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"877580"	224.129171	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"46080"	437.194466	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"486735"	645.304366	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"862956"	229.084566	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1633338"	229.084566	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"107067"	225.090963	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"549515"	329.145913	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"941730"	121.036013	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"281259"	451.189202	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"672219"	659.299102	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1279155"	243.079302	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"23900"	453.168406	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"467842"	661.278306	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"843454"	245.058506	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1566941"	245.058506	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"954825"	253.108094	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"376325"	461.218001	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"361188"	475.233651	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1506609"	267.123751	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"968923"	275.090051	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"114550"	243.079302	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"557391"	347.134252	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1036400"	139.024352	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1255981"	287.028785	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1319889"	289.084772	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1334722"	311.066729	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"926952"	321.095486	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1303825"	357.072164	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1381494"	173.097224	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1397534"	191.1072	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"296124"	417.227076	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"690694"	625.336976	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1359789"	209.117176	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"138518"	209.117176	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"579173"	313.172126	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1046878"	105.062226	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"217697"	139.747209333333	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"653974"	209.117176	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1171007"	70.3772426666667	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"432092"	434.253623	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"797099"	642.363523	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1692702"	226.143723	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"343895"	217.6304495	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"732308"	321.6853995	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1490139"	113.5754995	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"400434"	439.209018	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"762523"	647.318918	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1612811"	231.099118	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"329820"	220.108147	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"716363"	324.163097	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1471277"	116.053197	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1061239"	77.7045566666667	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1266929"	241.143386	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"383683"	455.182958	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"747960"	663.292858	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1545637"	247.073058	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"307193"	228.095117	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"697425"	332.150067	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1449058"	124.040167	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"242034"	458.253626	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1213650"	250.143726	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1197534"	125.575501	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"190404"	461.19096	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"633245"	669.30086	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1135656"	253.08106	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"178946"	231.099118	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"618139"	335.154068	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1119456"	127.044168	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1399329"	85.0318706666667	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1431449"	255.122646	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"221147"	236.13214	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1509574"	269.17469	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"411813"	239.086088	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"772811"	343.141038	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1671336"	135.031138	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"255667"	480.235568	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1230562"	272.125668	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1719451"	272.149193	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1186994"	92.3591846666667	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1656886"	277.104588	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"172014"	493.13884	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"606591"	701.24874	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1098760"	285.02894	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"149016"	247.073058	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"592950"	351.128008	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1074183"	143.018108	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1112494"	287.043492	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1347056"	287.131107	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1012309"	291.170276	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1529338"	292.163908	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"994691"	146.088776	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1593569"	293.078528	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1419228"	323.110038	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1152797"	166.602051	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1701258"	340.136585	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1644564"	345.09198	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1576934"	361.06592	"C10451"	"Elemicin"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"806208"	148.0888	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M"	0
"989547"	129.07041	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-H2O-H"	-19.01839
"72361"	97.7185906666667	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M-3H"	-3.021828
"511921"	147.081524	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M-3H"	-3.021828
"887534"	48.3556573333333	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-3H"	-3.021828
"10486"	147.081524	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M-2H"	-2.014552
"448951"	221.125924	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M-2H"	-2.014552
"823472"	73.037124	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-2H"	-2.014552
"85650"	295.170324	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M-H"	-1.007276
"528499"	443.259124	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M-H"	-1.007276
"904113"	147.081524	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-H"	-1.007276
"50834"	312.196871	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M-2H+NH4"	16.019271
"502804"	460.285671	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M-2H+NH4"	16.019271
"877690"	164.108071	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-2H+NH4"	16.019271
"47075"	317.152266	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M-2H+Na"	20.974666
"486847"	465.241066	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M-2H+Na"	20.974666
"863306"	169.063466	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-2H+Na"	20.974666
"1629556"	169.063466	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Na-2H"	20.974666
"101709"	165.069863	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M-H+Cl"	33.962126
"549835"	239.114263	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M-H+Cl"	33.962126
"942655"	91.025463	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-H+Cl"	33.962126
"282588"	331.147002	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+Cl"	34.969402
"674397"	479.235802	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+Cl"	34.969402
"1284732"	183.058202	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Cl"	34.969402
"24010"	333.126206	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M-2H+K"	36.948606
"469044"	481.215006	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M-2H+K"	36.948606
"840284"	185.037406	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-2H+K"	36.948606
"1565957"	185.037406	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+K-2H"	36.948606
"954935"	193.086994	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-H+HCOOH"	44.998194
"374974"	341.175801	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+HCOOH-H"	44.998201
"361159"	355.191451	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+Hac-H"	59.013851
"1504773"	207.102651	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Hac-H"	59.013851
"965753"	215.068951	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-H+NaCOOH"	66.980151
"116847"	183.058202	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+2Cl"	69.938804
"554220"	257.102602	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+2Cl"	69.938804
"1035666"	109.013802	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2Cl"	69.938804
"1256827"	227.007685	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Br"	78.918885
"1319034"	229.063672	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Cl+HCOOH"	80.974872
"1334833"	251.045629	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Cl+NaCOOH"	102.956829
"926377"	261.074386	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M-H+CF3COOH"	112.985586
"1303082"	297.051064	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Cl+CF3COOH"	148.962264
"1381607"	113.076124	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H-2H2O"	-35.012676
"1397279"	131.0861	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H-H2O"	-17.0027
"294414"	297.184876	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+H"	1.007276
"689388"	445.273676	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+H"	1.007276
"1360994"	149.096076	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H"	1.007276
"137896"	149.096076	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+2H"	2.014552
"578187"	223.140476	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+2H"	2.014552
"1047717"	75.051676	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2H"	2.014552
"218902"	99.7331426666667	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+3H"	3.021828
"654085"	149.096076	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+3H"	3.021828
"1172212"	50.3702093333333	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+3H"	3.021828
"431108"	314.211423	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+NH4"	18.033823
"796479"	462.300223	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+NH4"	18.033823
"1692811"	166.122623	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+NH4"	18.033823
"338903"	157.6093495	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+H+NH4"	19.041099
"734604"	231.6537495	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+H+NH4"	19.041099
"1489520"	83.5649495	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H+NH4"	19.041099
"399451"	319.166818	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+Na"	22.989218
"762634"	467.255618	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+Na"	22.989218
"1612921"	171.078018	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Na"	22.989218
"329955"	160.087047	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+H+Na"	23.996494
"717566"	234.131447	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+H+Na"	23.996494
"1474668"	86.042647	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H+Na"	23.996494
"1060260"	57.6975233333333	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2H+Na"	25.00377
"1265214"	181.122286	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+CH3OH+H"	33.033486
"387073"	335.140758	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+K"	38.963158
"751350"	483.229558	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+K"	38.963158
"1553405"	187.051958	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+K"	38.963158
"309490"	168.074017	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+H+K"	39.970434
"699722"	242.118417	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+H+K"	39.970434
"1453541"	94.029617	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H+K"	39.970434
"246517"	338.211426	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+ACN+H"	42.033826
"1215946"	190.122626	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+ACN+H"	42.033826
"1199831"	95.564951	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+ACN+2H"	43.041102
"192702"	341.14876	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+2Na-H"	44.97116
"635542"	489.23756	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+2Na-H"	44.97116
"1141234"	193.05996	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2Na-H"	44.97116
"179420"	171.078018	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+2Na"	45.978436
"616426"	245.122418	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+2Na"	45.978436
"1118838"	97.033618	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2Na"	45.978436
"1403091"	65.0248373333333	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H+2Na"	46.985712
"1433022"	195.101546	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H+HCOOH"	47.012746
"222108"	176.11104	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+3H2O+2H"	56.04448
"1511875"	209.15359	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+IsoProp+H"	61.06479
"411925"	179.064988	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+Na+K"	61.952376
"773287"	253.109388	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+Na+K"	61.952376
"1669258"	105.020588	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Na+K"	61.952376
"257965"	360.193368	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+ACN+Na"	64.015768
"1232860"	212.104568	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+ACN+Na"	64.015768
"1719562"	212.128093	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+NH4+HCOOH"	64.039293
"1184916"	72.3521513333333	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+3Na"	68.967654
"1654810"	217.083488	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Na+HCOOH"	68.994688
"172616"	373.09664	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+2K-H"	76.91904
"607795"	521.18544	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+2K-H"	76.91904
"1094497"	225.00784	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2K-H"	76.91904
"149126"	187.051958	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"2M+2K"	77.926316
"593060"	261.096358	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"3M+2K"	77.926316
"1072107"	113.007558	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2K"	77.926316
"1109688"	227.022392	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2K+H"	78.933592
"1347166"	227.110007	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+DMSO+H"	79.021207
"1013512"	231.149176	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2ACN+H"	83.060376
"1530541"	232.142808	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+IsoProp+Na+H"	84.054008
"994801"	116.078226	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+2ACN+2H"	84.067652
"1592585"	233.057428	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+K+HCOOH"	84.968628
"1424805"	263.088938	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+H+CF3COOH"	115.000138
"1152907"	136.591501	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+3ACN+2H"	125.094202
"1697476"	280.115485	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+NH4+CF3COOH"	132.026685
"1644674"	285.07088	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+Na+CF3COOH"	136.98208
"1577044"	301.04482	"C10452"	"Estragole;1-Methoxy-4-(2-propenyl)benzene;Methylchavicol"	"C10H12O"	"148.0888"	"M+K+CF3COOH"	152.95602
"806318"	164.0837	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M"	0
"988240"	145.06531	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"72471"	108.381857333333	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"510937"	163.076424	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"885458"	53.6872906666667	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"10596"	163.076424	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"449061"	245.118274	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"823582"	81.034574	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"85760"	327.160124	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"522047"	491.243824	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"904222"	163.076424	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"50944"	344.186671	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"502708"	508.270371	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"879625"	180.102971	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"46959"	349.142066	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"486914"	513.225766	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"863295"	185.058366	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1629666"	185.058366	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"102913"	181.064763	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"549907"	263.106613	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"942440"	99.022913	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"282781"	363.136802	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"673534"	527.220502	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1284842"	199.053102	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"25213"	365.116006	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"469155"	529.199706	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"846228"	201.032306	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1567165"	201.032306	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"951400"	209.081894	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"371804"	373.165601	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"360428"	387.181251	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1508166"	223.097551	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"966956"	231.063851	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"116957"	199.053102	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"556517"	281.094952	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1036627"	117.011252	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1256581"	243.002585	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1319389"	245.058572	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1335268"	267.040529	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"926905"	277.069286	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1302825"	313.045964	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1376246"	129.071024	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1395566"	147.081	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"295253"	329.174676	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"686946"	493.258376	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1360742"	165.090976	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"136914"	165.090976	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"574650"	247.132826	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1048556"	83.049126	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"216824"	110.396409333333	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"652008"	165.090976	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1174875"	55.7018426666667	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"432312"	346.201223	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"794403"	510.284923	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1689641"	182.117523	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"343024"	173.6042495	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"734715"	255.6460995	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1488537"	91.5623995	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"398468"	351.156618	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"760557"	515.240318	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1613031"	187.072918	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"329144"	176.081947	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"716582"	258.123797	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1474778"	94.040097	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1060369"	63.0291566666667	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1264231"	197.117186	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"386090"	367.130558	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"747085"	531.214258	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1549139"	203.046858	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"310694"	184.068917	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"702022"	266.110767	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1452560"	102.027067	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"245535"	370.201226	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1216057"	206.117526	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1201033"	103.562401	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"196091"	373.13856	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"632371"	537.22226	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1134055"	209.05486	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"176978"	187.072918	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"616535"	269.114768	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1118949"	105.031068	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1401743"	70.3564706666667	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1432766"	211.096446	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"221125"	192.10594	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1510891"	225.14849	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"410213"	195.059888	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"772303"	277.101738	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1669368"	113.018038	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"258075"	392.183168	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1232970"	228.099468	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1721858"	228.122993	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1186119"	77.6837846666667	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1656014"	233.078388	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"172771"	405.08644	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"607905"	569.17014	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1097888"	241.00274	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"149236"	203.046858	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"593170"	285.088708	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1075497"	121.005008	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1109798"	243.017292	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1346183"	243.104907	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1016901"	247.144076	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1529558"	248.137708	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"993817"	124.075676	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1592695"	249.052328	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1421635"	279.083838	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1149737"	144.588951	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1697709"	296.110385	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1644784"	301.06578	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1577154"	317.03972	"C10453"	"Eugenol"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"806428"	178.0994	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M"	0
"984343"	159.08101	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"74768"	117.725657333333	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"513234"	177.092124	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"887755"	58.3591906666667	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"10706"	177.092124	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"449171"	266.141824	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"823692"	88.042424	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"82590"	355.191524	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"530904"	533.290924	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"907612"	177.092124	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"53240"	372.218071	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"489520"	550.317471	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"879359"	194.118671	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"46288"	377.173466	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"486089"	555.272866	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"862797"	199.074066	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1629776"	199.074066	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"101929"	195.080463	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"547691"	284.130163	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"941940"	106.030763	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"282158"	391.168202	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"673645"	569.267602	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1286046"	213.068802	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"24230"	393.147406	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"468537"	571.246806	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"840505"	215.048006	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1563993"	215.048006	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"948594"	223.097594	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"368996"	401.197001	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"352880"	415.212651	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1508034"	237.113251	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"969984"	245.079551	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"121807"	213.068802	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"555534"	302.118502	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1036368"	124.019102	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1256987"	257.018285	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1317665"	259.074272	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1335586"	281.056229	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"927040"	291.084986	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1304022"	327.061664	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1377450"	143.086724	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1396040"	161.0967	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"295364"	357.206076	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"686327"	535.305476	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1361217"	179.106676	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"135200"	179.106676	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"575492"	268.156376	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1047937"	90.056976	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"218027"	119.740209333333	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"654305"	179.106676	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1174985"	60.3737426666667	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"434609"	374.232623	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"793420"	552.332023	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1689751"	196.133223	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"343134"	187.6199495	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"734825"	276.6696495	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1486458"	98.5702495	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"399671"	379.188018	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"762854"	557.287418	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1613141"	201.088618	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"327553"	190.097647	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"715599"	279.147347	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1474161"	101.047947	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1063759"	67.7010566666667	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1263248"	211.132886	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"387293"	395.161958	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"747195"	573.261358	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1548156"	217.062558	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"308616"	198.084617	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"698849"	287.134317	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1449388"	109.034917	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"242365"	398.232626	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1215074"	220.133226	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1198956"	110.570251	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"195108"	401.16996	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"631385"	579.26936	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1137080"	223.07056	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"175264"	201.088618	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"615916"	290.138318	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1120881"	112.038918	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1402218"	75.0283706666667	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1431417"	225.112146	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"220381"	206.12164	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1508566"	239.16419	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"409229"	209.075588	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"772048"	298.125288	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1670572"	120.025888	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"257092"	420.214568	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1229800"	242.115168	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1719782"	242.138693	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1185136"	82.3556846666667	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1655031"	247.094088	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"172818"	433.11784	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"610202"	611.21724	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1095813"	255.01844	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"149346"	217.062558	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"592187"	306.112258	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1078887"	128.012858	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1107721"	257.032992	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1347386"	257.120607	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1014823"	261.159776	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1529668"	262.153408	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"997208"	131.083526	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1596085"	263.068028	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1425026"	293.099538	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1154220"	151.596801	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1699400"	310.126085	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1644894"	315.08148	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1577264"	331.05542	"C10454"	"Methyleugenol;O-Methyleugenol;Eugenol methyl ether"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"806538"	247.1208	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M"	0
"987002"	228.10241	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-H2O-H"	-19.01839
"72691"	163.739924	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M-3H"	-3.021828
"512251"	246.113524	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M-3H"	-3.021828
"890051"	81.366324	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-3H"	-3.021828
"6440"	246.113524	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M-2H"	-2.014552
"449281"	369.673924	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M-2H"	-2.014552
"823802"	122.553124	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-2H"	-2.014552
"82700"	493.234324	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M-H"	-1.007276
"526639"	740.355124	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M-H"	-1.007276
"901162"	246.113524	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-H"	-1.007276
"50798"	510.260871	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M-2H+NH4"	16.019271
"490723"	757.381671	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M-2H+NH4"	16.019271
"879768"	263.140071	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-2H+NH4"	16.019271
"45911"	515.216266	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M-2H+Na"	20.974666
"485836"	762.337066	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M-2H+Na"	20.974666
"862178"	268.095466	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-2H+Na"	20.974666
"1627700"	268.095466	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Na-2H"	20.974666
"102039"	264.101863	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M-H+Cl"	33.962126
"547680"	387.662263	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M-H+Cl"	33.962126
"940227"	140.541463	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-H+Cl"	33.962126
"281944"	529.211002	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+Cl"	34.969402
"672660"	776.331802	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+Cl"	34.969402
"1285063"	282.090202	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Cl"	34.969402
"22153"	531.190206	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M-2H+K"	36.948606
"466096"	778.311006	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M-2H+K"	36.948606
"840615"	284.069406	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-2H+K"	36.948606
"1564103"	284.069406	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+K-2H"	36.948606
"949797"	292.118994	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-H+HCOOH"	44.998194
"368013"	539.239801	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+HCOOH-H"	44.998201
"352990"	553.255451	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+Hac-H"	59.013851
"1507657"	306.134651	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Hac-H"	59.013851
"970094"	314.100951	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-H+NaCOOH"	66.980151
"122281"	282.090202	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+2Cl"	69.938804
"554551"	405.650602	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+2Cl"	69.938804
"1036478"	158.529802	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2Cl"	69.938804
"1256959"	326.039685	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Br"	78.918885
"1317047"	328.095672	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Cl+HCOOH"	80.974872
"1334309"	350.077629	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Cl+NaCOOH"	102.956829
"926911"	360.106386	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M-H+CF3COOH"	112.985586
"1302804"	396.083064	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Cl+CF3COOH"	148.962264
"1377559"	212.108124	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H-2H2O"	-35.012676
"1396150"	230.1181	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H-H2O"	-17.0027
"294746"	495.248876	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+H"	1.007276
"684978"	742.369676	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+H"	1.007276
"1358046"	248.128076	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H"	1.007276
"132028"	248.128076	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+2H"	2.014552
"575962"	371.688476	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+2H"	2.014552
"1042575"	124.567676	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2H"	2.014552
"217039"	165.754476	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+3H"	3.021828
"655874"	248.128076	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+3H"	3.021828
"1173633"	83.380876	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+3H"	3.021828
"439096"	512.275423	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+NH4"	18.033823
"800092"	759.396223	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+NH4"	18.033823
"1690953"	265.154623	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+NH4"	18.033823
"339232"	256.6413495	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+H+NH4"	19.041099
"730559"	380.2017495	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+H+NH4"	19.041099
"1484379"	133.0809495	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H+NH4"	19.041099
"399781"	517.230818	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+Na"	22.989218
"757130"	764.351618	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+Na"	22.989218
"1611063"	270.110018	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Na"	22.989218
"328514"	259.119047	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+H+Na"	23.996494
"715709"	382.679447	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+H+Na"	23.996494
"1475122"	135.558647	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H+Na"	23.996494
"1063869"	90.70819	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2H+Na"	25.00377
"1262265"	280.154286	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+CH3OH+H"	33.033486
"385217"	533.204758	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+K"	38.963158
"746212"	780.325558	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+K"	38.963158
"1543890"	286.083958	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+K"	38.963158
"305446"	267.106017	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+H+K"	39.970434
"698959"	390.666417	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+H+K"	39.970434
"1449862"	143.545617	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H+K"	39.970434
"243569"	536.275426	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+ACN+H"	42.033826
"1215184"	289.154626	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+ACN+H"	42.033826
"1197241"	145.080951	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+ACN+2H"	43.041102
"191935"	539.21276	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+2Na-H"	44.97116
"630402"	786.33356	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+2Na-H"	44.97116
"1136461"	292.09196	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2Na-H"	44.97116
"175009"	270.110018	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+2Na"	45.978436
"616026"	393.670418	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+2Na"	45.978436
"1118803"	146.549618	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2Na"	45.978436
"1401233"	98.035504	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H+2Na"	46.985712
"1432619"	294.133546	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H+HCOOH"	47.012746
"220530"	275.14304	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+3H2O+2H"	56.04448
"1509283"	308.18559	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+IsoProp+H"	61.06479
"409824"	278.096988	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+Na+K"	61.952376
"770251"	401.657388	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+Na+K"	61.952376
"1667034"	154.536588	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Na+K"	61.952376
"257202"	558.257368	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+ACN+Na"	64.015768
"1232096"	311.136568	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+ACN+Na"	64.015768
"1718798"	311.160093	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+NH4+HCOOH"	64.039293
"1181966"	105.362818	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+3Na"	68.967654
"1655140"	316.115488	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Na+HCOOH"	68.994688
"164554"	571.16064	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+2K-H"	76.91904
"605936"	818.28144	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+2K-H"	76.91904
"1092638"	324.03984	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2K-H"	76.91904
"152736"	286.083958	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"2M+2K"	77.926316
"593390"	409.644358	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"3M+2K"	77.926316
"1078997"	162.523558	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2K"	77.926316
"1104551"	326.054392	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2K+H"	78.933592
"1343122"	326.142007	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+DMSO+H"	79.021207
"1011653"	330.181176	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2ACN+H"	83.060376
"1529778"	331.174808	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+IsoProp+Na+H"	84.054008
"997318"	165.594226	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+2ACN+2H"	84.067652
"1596195"	332.089428	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+K+HCOOH"	84.968628
"1420761"	362.120938	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+H+CF3COOH"	115.000138
"1152142"	186.107501	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+3ACN+2H"	125.094202
"1697808"	379.147485	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+NH4+CF3COOH"	132.026685
"1645004"	384.10288	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+Na+CF3COOH"	136.98208
"1576281"	400.07682	"C10455"	"Fagaramide"	"C14H17NO3"	"247.1208"	"M+K+CF3COOH"	152.95602
"816809"	624.2054	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M"	0
"987841"	605.18701	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-H2O-H"	-19.01839
"76085"	415.129657333333	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M-3H"	-3.021828
"515643"	623.198124	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M-3H"	-3.021828
"893446"	207.061190666667	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-3H"	-3.021828
"10925"	623.198124	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M-2H"	-2.014552
"455106"	935.300824	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M-2H"	-2.014552
"832303"	311.095424	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-2H"	-2.014552
"94116"	1247.403524	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M-H"	-1.007276
"532216"	1871.608924	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M-H"	-1.007276
"904552"	623.198124	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-H"	-1.007276
"61116"	1264.430071	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M-2H+NH4"	16.019271
"495207"	1888.635471	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M-2H+NH4"	16.019271
"878847"	640.224671	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-2H+NH4"	16.019271
"45294"	1269.385466	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M-2H+Na"	20.974666
"486193"	1893.590866	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M-2H+Na"	20.974666
"863018"	645.180066	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-2H+Na"	20.974666
"1631090"	645.180066	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Na-2H"	20.974666
"107619"	641.186463	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M-H+Cl"	33.962126
"548163"	953.289163	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M-H+Cl"	33.962126
"940701"	329.083763	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-H+Cl"	33.962126
"280352"	1283.380202	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+Cl"	34.969402
"669492"	1907.585602	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+Cl"	34.969402
"1279708"	659.174802	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Cl"	34.969402
"21172"	1285.359406	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M-2H+K"	36.948606
"467298"	1909.564806	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M-2H+K"	36.948606
"840725"	661.154006	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-2H+K"	36.948606
"1559837"	661.154006	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+K-2H"	36.948606
"953189"	669.203594	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-H+HCOOH"	44.998194
"373593"	1293.409001	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+HCOOH-H"	44.998201
"357474"	1307.424651	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+Hac-H"	59.013851
"1505213"	683.219251	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Hac-H"	59.013851
"971661"	691.185551	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-H+NaCOOH"	66.980151
"123484"	659.174802	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+2Cl"	69.938804
"555754"	971.277502	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+2Cl"	69.938804
"1033676"	347.072102	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2Cl"	69.938804
"1255686"	703.124285	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Br"	78.918885
"1317521"	705.180272	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Cl+HCOOH"	80.974872
"1333199"	727.162229	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Cl+NaCOOH"	102.956829
"926937"	737.190986	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M-H+CF3COOH"	112.985586
"1303484"	773.167664	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Cl+CF3COOH"	148.962264
"1377670"	589.192724	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H-2H2O"	-35.012676
"1396628"	607.2027	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H-H2O"	-17.0027
"297286"	1249.418076	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+H"	1.007276
"687277"	1873.623476	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+H"	1.007276
"1357063"	625.212676	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H"	1.007276
"136511"	625.212676	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+2H"	2.014552
"574978"	937.315376	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+2H"	2.014552
"1044871"	313.109976	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2H"	2.014552
"216055"	417.144209333333	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+3H"	3.021828
"647962"	625.212676	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+3H"	3.021828
"1171555"	209.075742666667	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+3H"	3.021828
"436653"	1266.444623	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+NH4"	18.033823
"798013"	1890.650023	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+NH4"	18.033823
"1689971"	642.239223	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+NH4"	18.033823
"337155"	633.7259495	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+H+NH4"	19.041099
"727390"	945.8286495	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+H+NH4"	19.041099
"1482302"	321.6232495	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H+NH4"	19.041099
"403171"	1271.400018	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+Na"	22.989218
"757605"	1895.605418	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+Na"	22.989218
"1611173"	647.194618	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Na"	22.989218
"326679"	636.203647	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+H+Na"	23.996494
"718006"	948.306347	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+H+Na"	23.996494
"1475354"	324.100947	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H+Na"	23.996494
"1066168"	216.403056666667	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2H+Na"	25.00377
"1266750"	657.238886	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+CH3OH+H"	33.033486
"389703"	1287.373958	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+K"	38.963158
"747418"	1911.579358	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+K"	38.963158
"1547281"	663.168558	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+K"	38.963158
"304461"	644.190617	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+H+K"	39.970434
"701257"	956.293317	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+H+K"	39.970434
"1451795"	332.087917	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H+K"	39.970434
"243679"	1290.444626	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+ACN+H"	42.033826
"1217481"	666.239226	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+ACN+H"	42.033826
"1200270"	333.623251	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+ACN+2H"	43.041102
"194234"	1293.38196	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+2Na-H"	44.97116
"634889"	1917.58736	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+2Na-H"	44.97116
"1136205"	669.17656	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2Na-H"	44.97116
"178404"	647.194618	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+2Na"	45.978436
"622338"	959.297318	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+2Na"	45.978436
"1122562"	335.091918	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2Na"	45.978436
"1401343"	223.730370666667	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H+2Na"	46.985712
"1432365"	671.218146	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H+HCOOH"	47.012746
"222058"	652.22764	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+3H2O+2H"	56.04448
"1509757"	685.27019	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+IsoProp+H"	61.06479
"409451"	655.181588	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+Na+K"	61.952376
"770812"	967.284288	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+Na+K"	61.952376
"1670060"	343.078888	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Na+K"	61.952376
"257312"	1312.426568	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+ACN+Na"	64.015768
"1235491"	688.221168	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+ACN+Na"	64.015768
"1721098"	688.244693	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+NH4+HCOOH"	64.039293
"1187546"	231.057684666667	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+3Na"	68.967654
"1658896"	693.200088	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Na+HCOOH"	68.994688
"171591"	1325.32984	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+2K-H"	76.91904
"612247"	1949.53524	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+2K-H"	76.91904
"1098952"	701.12444	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2K-H"	76.91904
"155886"	663.168558	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"2M+2K"	77.926316
"588032"	975.271258	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"3M+2K"	77.926316
"1078013"	351.065858	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2K"	77.926316
"1109035"	703.138992	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2K+H"	78.933592
"1344326"	703.226607	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+DMSO+H"	79.021207
"1016137"	707.265776	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2ACN+H"	83.060376
"1532076"	708.259408	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+IsoProp+Na+H"	84.054008
"997430"	354.136526	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+2ACN+2H"	84.067652
"1594119"	709.174028	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+K+HCOOH"	84.968628
"1419780"	739.205538	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+H+CF3COOH"	115.000138
"1154443"	374.649801	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+3ACN+2H"	125.094202
"1698528"	756.232085	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+NH4+CF3COOH"	132.026685
"1642928"	761.18748	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+Na+CF3COOH"	136.98208
"1586233"	777.16142	"C10456"	"Forsythiaside"	"C29H36O15"	"624.2054"	"M+K+CF3COOH"	152.95602
"815142"	316.0947	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M"	0
"989413"	297.07631	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-H2O-H"	-19.01839
"78018"	209.722524	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M-3H"	-3.021828
"518528"	315.087424	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M-3H"	-3.021828
"895012"	104.357624	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-3H"	-3.021828
"11035"	315.087424	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M-2H"	-2.014552
"455580"	473.134774	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M-2H"	-2.014552
"832774"	157.040074	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-2H"	-2.014552
"93982"	631.182124	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M-H"	-1.007276
"534087"	947.276824	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M-H"	-1.007276
"907941"	315.087424	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-H"	-1.007276
"60129"	648.208671	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M-2H+NH4"	16.019271
"494224"	964.303371	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M-2H+NH4"	16.019271
"879649"	332.113971	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-2H+NH4"	16.019271
"46623"	653.164066	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M-2H+Na"	20.974666
"486786"	969.258766	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M-2H+Na"	20.974666
"862761"	337.069366	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-2H+Na"	20.974666
"1633265"	337.069366	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Na-2H"	20.974666
"109800"	333.075763	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M-H+Cl"	33.962126
"548394"	491.123113	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M-H+Cl"	33.962126
"941176"	175.028413	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-H+Cl"	33.962126
"279369"	667.158802	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+Cl"	34.969402
"670695"	983.253502	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+Cl"	34.969402
"1277631"	351.064102	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Cl"	34.969402
"19095"	669.138006	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M-2H+K"	36.948606
"469232"	985.232706	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M-2H+K"	36.948606
"845209"	353.043306	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-2H+K"	36.948606
"1559946"	353.043306	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+K-2H"	36.948606
"948925"	361.092894	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-H+HCOOH"	44.998194
"374795"	677.187601	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+HCOOH-H"	44.998201
"357584"	691.203251	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+Hac-H"	59.013851
"1505323"	375.108551	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Hac-H"	59.013851
"972864"	383.074851	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-H+NaCOOH"	66.980151
"123958"	351.064102	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+2Cl"	69.938804
"555864"	509.111452	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+2Cl"	69.938804
"1035244"	193.016752	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2Cl"	69.938804
"1255917"	395.013585	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Br"	78.918885
"1317268"	397.069572	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Cl+HCOOH"	80.974872
"1332940"	419.051529	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Cl+NaCOOH"	102.956829
"926073"	429.080286	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M-H+CF3COOH"	112.985586
"1303144"	465.056964	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Cl+CF3COOH"	148.962264
"1378145"	281.082024	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H-2H2O"	-35.012676
"1397836"	299.092	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H-H2O"	-17.0027
"296788"	633.196676	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+H"	1.007276
"688116"	949.291376	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+H"	1.007276
"1356080"	317.101976	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H"	1.007276
"135529"	317.101976	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+2H"	2.014552
"573994"	475.149326	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+2H"	2.014552
"1045710"	159.054626	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2H"	2.014552
"215801"	211.737076	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+3H"	3.021828
"648072"	317.101976	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+3H"	3.021828
"1170571"	106.372176	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+3H"	3.021828
"436035"	650.223223	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+NH4"	18.033823
"796666"	966.317923	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+NH4"	18.033823
"1687894"	334.128523	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+NH4"	18.033823
"337264"	325.6152495	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+H+NH4"	19.041099
"732966"	483.6625995	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+H+NH4"	19.041099
"1482412"	167.5678995	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H+NH4"	19.041099
"404374"	655.178618	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+Na"	22.989218
"757715"	971.273318	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+Na"	22.989218
"1613469"	339.083918	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Na"	22.989218
"326789"	328.092947	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+H+Na"	23.996494
"718116"	486.140297	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+H+Na"	23.996494
"1474125"	170.045597	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H+Na"	23.996494
"1065184"	113.69949	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2H+Na"	25.00377
"1264673"	349.128186	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+CH3OH+H"	33.033486
"387626"	671.152558	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+K"	38.963158
"746432"	987.247258	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+K"	38.963158
"1545203"	355.057858	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+K"	38.963158
"304572"	336.079917	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+H+K"	39.970434
"701367"	494.127267	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+H+K"	39.970434
"1449718"	178.032567	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H+K"	39.970434
"245975"	674.223226	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+ACN+H"	42.033826
"1215404"	358.128526	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+ACN+H"	42.033826
"1197828"	179.567901	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+ACN+2H"	43.041102
"193615"	677.16056	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+2Na-H"	44.97116
"634999"	993.25526	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+2Na-H"	44.97116
"1133035"	361.06586	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2Na-H"	44.97116
"175231"	339.083918	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+2Na"	45.978436
"620260"	497.131268	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+2Na"	45.978436
"1120849"	181.036568	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2Na"	45.978436
"1400118"	121.026804	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H+2Na"	46.985712
"1432481"	363.107446	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H+HCOOH"	47.012746
"222170"	344.11694	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+3H2O+2H"	56.04448
"1509503"	377.15949	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+IsoProp+H"	61.06479
"411020"	347.070888	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+Na+K"	61.952376
"771287"	505.118238	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+Na+K"	61.952376
"1669806"	189.023538	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Na+K"	61.952376
"257422"	696.205168	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+ACN+Na"	64.015768
"1232318"	380.110468	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+ACN+Na"	64.015768
"1720113"	380.133993	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+NH4+HCOOH"	64.039293
"1185468"	128.354118	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+3Na"	68.967654
"1656454"	385.089388	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Na+HCOOH"	68.994688
"167692"	709.10844	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+2K-H"	76.91904
"611506"	1025.20314	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+2K-H"	76.91904
"1098085"	393.01374	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2K-H"	76.91904
"155024"	355.057858	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"2M+2K"	77.926316
"590328"	513.105208	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"3M+2K"	77.926316
"1080309"	197.010508	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2K"	77.926316
"1109145"	395.028292	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2K+H"	78.933592
"1344436"	395.115907	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+DMSO+H"	79.021207
"1016247"	399.155076	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2ACN+H"	83.060376
"1535466"	400.148708	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+IsoProp+Na+H"	84.054008
"998634"	200.081176	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+2ACN+2H"	84.067652
"1595323"	401.063328	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+K+HCOOH"	84.968628
"1419888"	431.094838	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+H+CF3COOH"	115.000138
"1152364"	220.594451	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+3ACN+2H"	125.094202
"1700824"	448.121385	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+NH4+CF3COOH"	132.026685
"1641943"	453.07678	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+Na+CF3COOH"	136.98208
"1586343"	469.05072	"C10457"	"Homoferreirin"	"C17H16O6"	"316.0947"	"M+K+CF3COOH"	152.95602
"806868"	428.1682	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M"	0
"986970"	409.14981	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-H2O-H"	-19.01839
"76305"	284.438190666667	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M-3H"	-3.021828
"516956"	427.160924	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M-3H"	-3.021828
"894757"	141.715457333333	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-3H"	-3.021828
"12239"	427.160924	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M-2H"	-2.014552
"453988"	641.245024	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M-2H"	-2.014552
"831062"	213.076824	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-2H"	-2.014552
"91780"	855.329124	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M-H"	-1.007276
"531708"	1283.497324	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M-H"	-1.007276
"903678"	427.160924	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-H"	-1.007276
"52586"	872.355671	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M-2H+NH4"	16.019271
"494334"	1300.523871	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M-2H+NH4"	16.019271
"878578"	444.187471	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-2H+NH4"	16.019271
"45151"	877.311066	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M-2H+Na"	20.974666
"486164"	1305.479266	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M-2H+Na"	20.974666
"861778"	449.142866	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-2H+Na"	20.974666
"1630216"	449.142866	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Na-2H"	20.974666
"102371"	445.149263	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M-H+Cl"	33.962126
"546315"	659.233363	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M-H+Cl"	33.962126
"939463"	231.065163	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-H+Cl"	33.962126
"276199"	891.305802	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+Cl"	34.969402
"666431"	1319.474002	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+Cl"	34.969402
"1281021"	463.137602	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Cl"	34.969402
"19205"	893.285006	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M-2H+K"	36.948606
"457674"	1321.453206	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M-2H+K"	36.948606
"839849"	465.116806	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-2H+K"	36.948606
"1556776"	465.116806	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+K-2H"	36.948606
"950128"	473.166394	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-H+HCOOH"	44.998194
"375270"	901.334601	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+HCOOH-H"	44.998201
"357694"	915.350251	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+Hac-H"	59.013851
"1505433"	487.182051	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Hac-H"	59.013851
"972974"	495.148351	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-H+NaCOOH"	66.980151
"124068"	463.137602	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+2Cl"	69.938804
"555974"	677.221702	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+2Cl"	69.938804
"1036447"	249.053502	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2Cl"	69.938804
"1256758"	507.087085	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Br"	78.918885
"1317014"	509.143072	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Cl+HCOOH"	80.974872
"1333778"	531.125029	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Cl+NaCOOH"	102.956829
"926065"	541.153786	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M-H+CF3COOH"	112.985586
"1302161"	577.130464	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Cl+CF3COOH"	148.962264
"1377890"	393.155524	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H-2H2O"	-35.012676
"1397699"	411.1655	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H-H2O"	-17.0027
"297021"	857.343676	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+H"	1.007276
"688226"	1285.511876	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+H"	1.007276
"1360564"	429.175476	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H"	1.007276
"134544"	429.175476	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+2H"	2.014552
"573011"	643.259576	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+2H"	2.014552
"1042905"	215.091376	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2H"	2.014552
"216640"	286.452742666667	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+3H"	3.021828
"648182"	429.175476	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+3H"	3.021828
"1170681"	143.730009333333	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+3H"	3.021828
"437237"	874.370223	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+NH4"	18.033823
"796047"	1302.538423	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+NH4"	18.033823
"1688004"	446.202023	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+NH4"	18.033823
"337374"	437.6887495	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+H+NH4"	19.041099
"730889"	651.7728495	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+H+NH4"	19.041099
"1484709"	223.6046495	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H+NH4"	19.041099
"404484"	879.325618	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+Na"	22.989218
"757825"	1307.493818	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+Na"	22.989218
"1613579"	451.157418	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Na"	22.989218
"326899"	440.166447	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+H+Na"	23.996494
"717133"	654.250547	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+H+Na"	23.996494
"1472048"	226.082347	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H+Na"	23.996494
"1063107"	151.057323333333	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2H+Na"	25.00377
"1266972"	461.201686	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+CH3OH+H"	33.033486
"384454"	895.299558	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+K"	38.963158
"744356"	1323.467758	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+K"	38.963158
"1545313"	467.131358	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+K"	38.963158
"300668"	448.153417	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+H+K"	39.970434
"699290"	662.237517	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+H+K"	39.970434
"1447640"	234.069317	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H+K"	39.970434
"237701"	898.370226	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+ACN+H"	42.033826
"1212234"	470.202026	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+ACN+H"	42.033826
"1196479"	235.604651	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+ACN+2H"	43.041102
"190081"	901.30756	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+2Na-H"	44.97116
"631099"	1329.47576	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+2Na-H"	44.97116
"1134605"	473.13936	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2Na-H"	44.97116
"177532"	451.157418	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+2Na"	45.978436
"617092"	665.241518	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+2Na"	45.978436
"1120597"	237.073318	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2Na"	45.978436
"1404119"	158.384637333333	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H+2Na"	46.985712
"1436237"	475.180946	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H+HCOOH"	47.012746
"220944"	456.19044	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+3H2O+2H"	56.04448
"1509133"	489.23299	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+IsoProp+H"	61.06479
"410402"	459.144388	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+Na+K"	61.952376
"772492"	673.228488	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+Na+K"	61.952376
"1668823"	245.060288	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Na+K"	61.952376
"257532"	920.352168	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+ACN+Na"	64.015768
"1231335"	492.183968	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+ACN+Na"	64.015768
"1718036"	492.207493	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+NH4+HCOOH"	64.039293
"1184484"	165.711951333333	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+3Na"	68.967654
"1656563"	497.162888	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Na+HCOOH"	68.994688
"170354"	933.25544	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+2K-H"	76.91904
"611737"	1361.42364	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+2K-H"	76.91904
"1099778"	505.08724	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2K-H"	76.91904
"153068"	467.131358	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"2M+2K"	77.926316
"590439"	681.215458	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"3M+2K"	77.926316
"1080419"	253.047258	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2K"	77.926316
"1105974"	507.101792	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2K+H"	78.933592
"1346734"	507.189407	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+DMSO+H"	79.021207
"1016357"	511.228576	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2ACN+H"	83.060376
"1535576"	512.222208	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+IsoProp+Na+H"	84.054008
"996557"	256.117926	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+2ACN+2H"	84.067652
"1596528"	513.136828	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+K+HCOOH"	84.968628
"1417812"	543.168338	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+H+CF3COOH"	115.000138
"1154661"	276.631201	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+3ACN+2H"	125.094202
"1704214"	560.194885	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+NH4+CF3COOH"	132.026685
"1638773"	565.15028	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+Na+CF3COOH"	136.98208
"1576611"	581.12422	"C10458"	"Furcatin"	"C20H28O10"	"428.1682"	"M+K+CF3COOH"	152.95602
"806978"	292.1675	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M"	0
"985986"	273.14911	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-H2O-H"	-19.01839
"75321"	193.771057333333	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M-3H"	-3.021828
"516703"	291.160224	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M-3H"	-3.021828
"893412"	96.3818906666667	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-3H"	-3.021828
"11257"	291.160224	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M-2H"	-2.014552
"451910"	437.243974	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M-2H"	-2.014552
"830808"	145.076474	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-2H"	-2.014552
"92620"	583.327724	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M-H"	-1.007276
"531453"	875.495224	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M-H"	-1.007276
"908042"	291.160224	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-H"	-1.007276
"59257"	600.354271	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M-2H+NH4"	16.019271
"499184"	892.521771	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M-2H+NH4"	16.019271
"877836"	308.186771	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-2H+NH4"	16.019271
"44533"	605.309666	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M-2H+Na"	20.974666
"485426"	897.477166	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M-2H+Na"	20.974666
"862983"	313.142166	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-2H+Na"	20.974666
"1631298"	313.142166	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Na-2H"	20.974666
"104668"	309.148563	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M-H+Cl"	33.962126
"548247"	455.232313	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M-H+Cl"	33.962126
"938845"	163.064813	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-H+Cl"	33.962126
"278496"	619.304402	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+Cl"	34.969402
"670917"	911.471902	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+Cl"	34.969402
"1283321"	327.136902	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Cl"	34.969402
"22596"	621.283606	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M-2H+K"	36.948606
"458877"	913.451106	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M-2H+K"	36.948606
"839959"	329.116106	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-2H+K"	36.948606
"1556886"	329.116106	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+K-2H"	36.948606
"951331"	337.165694	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-H+HCOOH"	44.998194
"374651"	629.333201	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+HCOOH-H"	44.998201
"354524"	643.348851	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+Hac-H"	59.013851
"1500075"	351.181351	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Hac-H"	59.013851
"969804"	359.147651	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-H+NaCOOH"	66.980151
"120898"	327.136902	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+2Cl"	69.938804
"557178"	473.220652	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+2Cl"	69.938804
"1036793"	181.053152	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2Cl"	69.938804
"1255769"	371.086385	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Br"	78.918885
"1318943"	373.142372	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Cl+HCOOH"	80.974872
"1328783"	395.124329	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Cl+NaCOOH"	102.956829
"925683"	405.153086	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M-H+CF3COOH"	112.985586
"1303124"	441.129764	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Cl+CF3COOH"	148.962264
"1379825"	257.154824	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H-2H2O"	-35.012676
"1398052"	275.1648	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H-H2O"	-17.0027
"292635"	585.342276	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+H"	1.007276
"687972"	877.509776	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+H"	1.007276
"1359581"	293.174776	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H"	1.007276
"133561"	293.174776	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+2H"	2.014552
"575310"	439.258526	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+2H"	2.014552
"1045202"	147.091026	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2H"	2.014552
"215658"	195.785609333333	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+3H"	3.021828
"656313"	293.174776	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+3H"	3.021828
"1174802"	98.3964426666667	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+3H"	3.021828
"434796"	602.368823	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+NH4"	18.033823
"795063"	894.536323	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+NH4"	18.033823
"1684833"	310.201323	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+NH4"	18.033823
"337484"	301.6880495	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+H+NH4"	19.041099
"726626"	447.7717995	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+H+NH4"	19.041099
"1487735"	155.6042995	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H+NH4"	19.041099
"403501"	607.324218	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+Na"	22.989218
"757935"	899.491718	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+Na"	22.989218
"1612595"	315.156718	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Na"	22.989218
"324456"	304.165747	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+H+Na"	23.996494
"716147"	450.249497	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+H+Na"	23.996494
"1466689"	158.081997	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H+Na"	23.996494
"1054466"	105.723756666667	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2H+Na"	25.00377
"1262708"	325.200986	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+CH3OH+H"	33.033486
"381282"	623.298158	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+K"	38.963158
"741184"	915.465658	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+K"	38.963158
"1540685"	331.130658	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+K"	38.963158
"301144"	312.152717	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+H+K"	39.970434
"696120"	458.236467	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+H+K"	39.970434
"1447749"	166.068967	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H+K"	39.970434
"239267"	626.368826	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+ACN+H"	42.033826
"1212344"	334.201326	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+ACN+H"	42.033826
"1198776"	167.604301	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+ACN+2H"	43.041102
"192012"	629.30616	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+2Na-H"	44.97116
"636313"	921.47366	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+2Na-H"	44.97116
"1134352"	337.13866	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2Na-H"	44.97116
"178736"	315.156718	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+2Na"	45.978436
"621577"	461.240468	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+2Na"	45.978436
"1119615"	169.072968	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2Na"	45.978436
"1404229"	113.051070666667	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H+2Na"	46.985712
"1431975"	339.180246	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H+HCOOH"	47.012746
"223856"	320.18974	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+3H2O+2H"	56.04448
"1511919"	353.23229	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+IsoProp+H"	61.06479
"410878"	323.143688	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+Na+K"	61.952376
"774788"	469.227438	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+Na+K"	61.952376
"1676225"	177.059938	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Na+K"	61.952376
"256549"	648.350768	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+ACN+Na"	64.015768
"1231445"	356.183268	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+ACN+Na"	64.015768
"1721426"	356.206793	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+NH4+HCOOH"	64.039293
"1188968"	120.378384666667	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+3Na"	68.967654
"1655579"	361.162188	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Na+HCOOH"	68.994688
"167912"	661.25404	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+2K-H"	76.91904
"608565"	953.42154	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+2K-H"	76.91904
"1091989"	369.08654	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2K-H"	76.91904
"144433"	331.130658	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"2M+2K"	77.926316
"589458"	477.214408	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"3M+2K"	77.926316
"1078342"	185.046908	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2K"	77.926316
"1110458"	371.101092	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2K+H"	78.933592
"1343562"	371.188707	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+DMSO+H"	79.021207
"1012093"	375.227876	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2ACN+H"	83.060376
"1529125"	376.221508	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+IsoProp+Na+H"	84.054008
"998854"	188.117576	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+2ACN+2H"	84.067652
"1594450"	377.136128	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+K+HCOOH"	84.968628
"1420110"	407.167638	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+H+CF3COOH"	115.000138
"1159875"	208.630851	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+3ACN+2H"	125.094202
"1707606"	424.194185	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+NH4+CF3COOH"	132.026685
"1647630"	429.14958	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+Na+CF3COOH"	136.98208
"1577814"	445.12352	"C10459"	"Gingerdione;6-Gingerdione"	"C17H24O4"	"292.1675"	"M+K+CF3COOH"	152.95602
"807088"	356.1624	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M"	0
"986097"	337.14401	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-H2O-H"	-19.01839
"77617"	236.434324	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M-3H"	-3.021828
"516814"	355.155124	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M-3H"	-3.021828
"894615"	117.713524	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-3H"	-3.021828
"12460"	355.155124	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M-2H"	-2.014552
"453113"	533.236324	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M-2H"	-2.014552
"831767"	177.073924	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-2H"	-2.014552
"89812"	711.317524	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M-H"	-1.007276
"532172"	1067.479924	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M-H"	-1.007276
"910222"	355.155124	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-H"	-1.007276
"61560"	728.344071	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M-2H+NH4"	16.019271
"502212"	1084.506471	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M-2H+NH4"	16.019271
"878919"	372.181671	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-2H+NH4"	16.019271
"45004"	733.299466	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M-2H+Na"	20.974666
"485654"	1089.461866	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M-2H+Na"	20.974666
"860540"	377.137066	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-2H+Na"	20.974666
"1628249"	377.137066	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Na-2H"	20.974666
"104778"	373.143463	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M-H+Cl"	33.962126
"546172"	551.224663	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M-H+Cl"	33.962126
"938954"	195.062263	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-H+Cl"	33.962126
"276419"	747.294202	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+Cl"	34.969402
"668838"	1103.456602	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+Cl"	34.969402
"1280147"	391.131802	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Cl"	34.969402
"24889"	749.273406	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M-2H+K"	36.948606
"464457"	1105.435806	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M-2H+K"	36.948606
"841162"	393.111006	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-2H+K"	36.948606
"1560275"	393.111006	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+K-2H"	36.948606
"949253"	401.160594	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-H+HCOOH"	44.998194
"374032"	757.323001	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+HCOOH-H"	44.998201
"353541"	771.338651	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+Hac-H"	59.013851
"1500185"	415.176251	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Hac-H"	59.013851
"967728"	423.142551	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-H+NaCOOH"	66.980151
"122102"	391.131802	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+2Cl"	69.938804
"555101"	569.213002	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+2Cl"	69.938804
"1035569"	213.050602	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2Cl"	69.938804
"1254786"	435.081285	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Br"	78.918885
"1318687"	437.137272	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Cl+HCOOH"	80.974872
"1328893"	459.119229	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Cl+NaCOOH"	102.956829
"926160"	469.147986	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M-H+CF3COOH"	112.985586
"1303601"	505.124664	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Cl+CF3COOH"	148.962264
"1382412"	321.149724	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H-2H2O"	-35.012676
"1398043"	339.1597	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H-H2O"	-17.0027
"294932"	713.332076	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+H"	1.007276
"688447"	1069.494476	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+H"	1.007276
"1357503"	357.169676	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H"	1.007276
"136223"	357.169676	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+2H"	2.014552
"573231"	535.250876	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+2H"	2.014552
"1044218"	179.088476	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2H"	2.014552
"211027"	238.448876	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+3H"	3.021828
"657515"	357.169676	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+3H"	3.021828
"1175642"	119.728076	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+3H"	3.021828
"434906"	730.358623	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+NH4"	18.033823
"797361"	1086.521023	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+NH4"	18.033823
"1688223"	374.196223	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+NH4"	18.033823
"338689"	365.6829495	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+H+NH4"	19.041099
"732933"	543.7641495	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+H+NH4"	19.041099
"1486023"	187.6017495	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H+NH4"	19.041099
"405433"	735.314018	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+Na"	22.989218
"758045"	1091.476418	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+Na"	22.989218
"1612705"	379.151618	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Na"	22.989218
"323838"	368.160647	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+H+Na"	23.996494
"717350"	546.241847	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+H+Na"	23.996494
"1468986"	190.079447	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H+Na"	23.996494
"1057857"	127.05539	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2H+Na"	25.00377
"1261727"	389.195886	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+CH3OH+H"	33.033486
"381396"	751.287958	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+K"	38.963158
"740932"	1107.450358	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+K"	38.963158
"1541527"	395.125558	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+K"	38.963158
"303808"	376.147617	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+H+K"	39.970434
"698417"	554.228817	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+H+K"	39.970434
"1448225"	198.066417	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H+K"	39.970434
"239744"	754.358626	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+ACN+H"	42.033826
"1215733"	398.196226	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+ACN+H"	42.033826
"1198524"	199.601751	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+ACN+2H"	43.041102
"194677"	757.29596	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+2Na-H"	44.97116
"631321"	1113.45836	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+2Na-H"	44.97116
"1137743"	401.13356	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2Na-H"	44.97116
"178848"	379.151618	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+2Na"	45.978436
"619501"	557.232818	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+2Na"	45.978436
"1123006"	201.070418	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2Na"	45.978436
"1409445"	134.382704	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H+2Na"	46.985712
"1435365"	403.175146	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H+HCOOH"	47.012746
"220681"	384.18464	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+3H2O+2H"	56.04448
"1514218"	417.22719	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+IsoProp+H"	61.06479
"414998"	387.138588	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+Na+K"	61.952376
"773806"	565.219788	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+Na+K"	61.952376
"1675608"	209.057388	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Na+K"	61.952376
"256659"	776.340568	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+ACN+Na"	64.015768
"1234836"	420.178168	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+ACN+Na"	64.015768
"1723360"	420.201693	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+NH4+HCOOH"	64.039293
"1189077"	141.710018	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+3Na"	68.967654
"1660063"	425.157088	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Na+HCOOH"	68.994688
"164739"	789.24384	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+2K-H"	76.91904
"611960"	1145.40624	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+2K-H"	76.91904
"1098538"	433.08144	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2K-H"	76.91904
"152196"	395.125558	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"2M+2K"	77.926316
"595034"	573.206758	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"3M+2K"	77.926316
"1078454"	217.044358	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2K"	77.926316
"1109475"	435.095992	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2K+H"	78.933592
"1344766"	435.183607	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+DMSO+H"	79.021207
"1014393"	439.222776	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2ACN+H"	83.060376
"1536526"	440.216408	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+IsoProp+Na+H"	84.054008
"1000057"	220.115026	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+2ACN+2H"	84.067652
"1595654"	441.131028	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+K+HCOOH"	84.968628
"1424595"	471.162538	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+H+CF3COOH"	115.000138
"1158164"	240.628301	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+3ACN+2H"	125.094202
"1710996"	488.189085	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+NH4+CF3COOH"	132.026685
"1644460"	493.14448	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+Na+CF3COOH"	136.98208
"1577924"	509.11842	"C10460"	"Gingerenone A"	"C21H24O5"	"356.1624"	"M+K+CF3COOH"	152.95602
"807198"	300.0998	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M"	0
"989888"	281.08141	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"78495"	199.059257333333	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"518442"	299.092524	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"895621"	99.0259906666667	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"10381"	299.092524	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"451035"	449.142424	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"832776"	149.042624	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"91015"	599.192324	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"533949"	899.292124	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"910937"	299.092524	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"61178"	616.218871	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"502484"	916.318671	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"876472"	316.119071	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"45475"	621.174266	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"481024"	921.274066	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"855544"	321.074466	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1625078"	321.074466	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"107803"	317.080863	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"547010"	467.130763	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"941857"	167.030963	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"280900"	635.169002	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"671134"	935.268802	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1284630"	335.069202	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"28279"	637.148206	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"467119"	937.248006	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"841272"	337.048406	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1563666"	337.048406	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"951550"	345.097994	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"374142"	645.197801	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"355837"	659.213451	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1500295"	359.113651	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"971117"	367.079951	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"125127"	335.069202	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"556304"	485.119102	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1035679"	185.019302	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1256599"	379.018685	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1318797"	381.074672	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1331918"	403.056629	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"921882"	413.085386	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1301145"	449.062064	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1381994"	265.087124	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1397544"	283.0971	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"297230"	601.206876	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"689284"	901.306676	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1356519"	301.107076	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"138155"	301.107076	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"574433"	451.156976	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1044328"	151.057176	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"211137"	201.073809333333	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"651790"	301.107076	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1177207"	101.040542666667	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"434287"	618.233423	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"795282"	918.333223	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1688333"	318.133623	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"338799"	309.6203495	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"733043"	459.6702495	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1486133"	159.5704495	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"405543"	623.188818	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"759248"	923.288618	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1610628"	323.089018	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"325040"	312.098047	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"717460"	462.147947	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1467273"	162.048147	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1060153"	108.367856666667	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1266208"	333.133286	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"385875"	639.162758	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"746870"	939.262558	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1547829"	339.062958	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"307197"	320.085017	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"698527"	470.134917	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1453437"	170.035117	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"245321"	642.233426	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1216936"	342.133626	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1200820"	171.570451	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"193692"	645.17076	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"634346"	945.27056	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1134573"	345.07096	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"180051"	323.089018	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"622891"	473.138918	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1123116"	173.039118	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1411012"	115.695170666667	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1433289"	347.112546	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"220350"	328.12204	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1515421"	361.16459	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"416201"	331.075988	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"772822"	481.125888	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1675718"	181.026088	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"264789"	664.215368	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1234947"	364.115568	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1721646"	364.139093	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1183719"	123.022484666667	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1662359"	369.094488	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"167035"	677.11864	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"608785"	977.21844	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1098769"	377.01884	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"154490"	339.062958	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"594050"	489.112858	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1078564"	189.013058	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1108491"	379.033392	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1345969"	379.121007	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1013409"	383.160176	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1534812"	384.153808	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"1000167"	192.083726	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1595763"	385.068428	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1424705"	415.099938	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1157182"	212.597001	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1710013"	432.126485	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1644570"	437.08188	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1576941"	453.05582	"C10461"	"4-Hydroxyhomopterocarpin"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"814964"	294.1831	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M"	0
"988501"	275.16471	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-H2O-H"	-19.01839
"72372"	195.114790666667	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M-3H"	-3.021828
"514119"	293.175824	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M-3H"	-3.021828
"893014"	97.0537573333333	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-3H"	-3.021828
"15402"	293.175824	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M-2H"	-2.014552
"455409"	440.267374	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M-2H"	-2.014552
"831986"	146.084274	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-2H"	-2.014552
"94011"	587.358924	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M-H"	-1.007276
"534196"	881.542024	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M-H"	-1.007276
"908493"	293.175824	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-H"	-1.007276
"62507"	604.385471	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M-2H+NH4"	16.019271
"501823"	898.568571	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M-2H+NH4"	16.019271
"879632"	310.202371	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-2H+NH4"	16.019271
"46315"	609.340866	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M-2H+Na"	20.974666
"486848"	903.523966	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M-2H+Na"	20.974666
"861124"	315.157766	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-2H+Na"	20.974666
"1634052"	315.157766	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Na-2H"	20.974666
"108524"	311.164163	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M-H+Cl"	33.962126
"547487"	458.255713	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M-H+Cl"	33.962126
"940275"	164.072613	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-H+Cl"	33.962126
"279558"	623.335602	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+Cl"	34.969402
"669058"	917.518702	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+Cl"	34.969402
"1281462"	329.152502	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Cl"	34.969402
"27298"	625.314806	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M-2H+K"	36.948606
"466864"	919.497906	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M-2H+K"	36.948606
"839195"	331.131706	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-2H+K"	36.948606
"1561590"	331.131706	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+K-2H"	36.948606
"950568"	339.181294	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-H+HCOOH"	44.998194
"374252"	633.364401	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+HCOOH-H"	44.998201
"354853"	647.380051	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+Hac-H"	59.013851
"1500405"	353.196951	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Hac-H"	59.013851
"967947"	361.163251	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-H+NaCOOH"	66.980151
"122321"	329.152502	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+2Cl"	69.938804
"559694"	476.244052	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+2Cl"	69.938804
"1034697"	182.060952	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2Cl"	69.938804
"1256100"	373.101985	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Br"	78.918885
"1317818"	375.157972	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Cl+HCOOH"	80.974872
"1334585"	397.139929	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Cl+NaCOOH"	102.956829
"925647"	407.168686	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M-H+CF3COOH"	112.985586
"1301255"	443.145364	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Cl+CF3COOH"	148.962264
"1382624"	259.170424	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H-2H2O"	-35.012676
"1398449"	277.1804	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H-H2O"	-17.0027
"298197"	589.373476	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+H"	1.007276
"689030"	883.556576	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+H"	1.007276
"1362098"	295.190376	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H"	1.007276
"140821"	295.190376	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+2H"	2.014552
"580014"	442.281926	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+2H"	2.014552
"1046624"	148.098826	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2H"	2.014552
"211247"	197.129342666667	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+3H"	3.021828
"654087"	295.190376	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+3H"	3.021828
"1176591"	99.0683093333333	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+3H"	3.021828
"436583"	606.400023	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+NH4"	18.033823
"795394"	900.583123	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+NH4"	18.033823
"1688445"	312.216923	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+NH4"	18.033823
"338909"	303.7036495	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+H+NH4"	19.041099
"733517"	450.7951995	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+H+NH4"	19.041099
"1491345"	156.6120995	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H+NH4"	19.041099
"405653"	611.355418	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+Na"	22.989218
"759358"	905.538518	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+Na"	22.989218
"1612925"	317.172318	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Na"	22.989218
"325150"	306.181347	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+H+Na"	23.996494
"714292"	453.272897	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+H+Na"	23.996494
"1469207"	159.089797	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H+Na"	23.996494
"1062455"	106.395623333333	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2H+Na"	25.00377
"1267413"	327.216586	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+CH3OH+H"	33.033486
"385989"	627.329358	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+K"	38.963158
"746984"	921.512458	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+K"	38.963158
"1547942"	333.146258	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+K"	38.963158
"307308"	314.168317	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+H+K"	39.970434
"698637"	461.259867	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+H+K"	39.970434
"1455735"	167.076767	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H+K"	39.970434
"245432"	630.400026	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+ACN+H"	42.033826
"1218140"	336.216926	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+ACN+H"	42.033826
"1200931"	168.612101	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+ACN+2H"	43.041102
"198176"	633.33736	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+2Na-H"	44.97116
"630443"	927.52046	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+2Na-H"	44.97116
"1134683"	339.15426	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2Na-H"	44.97116
"175786"	317.172318	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+2Na"	45.978436
"619721"	464.263868	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+2Na"	45.978436
"1123226"	170.080768	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2Na"	45.978436
"1405655"	113.722937333333	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H+2Na"	46.985712
"1436678"	341.195846	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H+HCOOH"	47.012746
"222001"	322.20534	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+3H2O+2H"	56.04448
"1518811"	355.24789	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+IsoProp+H"	61.06479
"418500"	325.159288	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+Na+K"	61.952376
"781685"	472.250838	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+Na+K"	61.952376
"1675829"	178.067738	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Na+K"	61.952376
"260162"	652.381968	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+ACN+Na"	64.015768
"1232870"	358.198868	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+ACN+Na"	64.015768
"1726495"	358.222393	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+NH4+HCOOH"	64.039293
"1190392"	121.050251333333	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+3Na"	68.967654
"1660284"	363.177788	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Na+HCOOH"	68.994688
"167147"	665.28524	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+2K-H"	76.91904
"608895"	959.46834	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+2K-H"	76.91904
"1096691"	371.10214	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2K-H"	76.91904
"150227"	333.146258	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"2M+2K"	77.926316
"586507"	480.237808	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"3M+2K"	77.926316
"1077580"	186.054708	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2K"	77.926316
"1110789"	373.116692	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2K+H"	78.933592
"1344987"	373.204307	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+DMSO+H"	79.021207
"1012425"	377.243476	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2ACN+H"	83.060376
"1536016"	378.237108	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+IsoProp+Na+H"	84.054008
"996997"	189.125376	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+2ACN+2H"	84.067652
"1592594"	379.151728	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+K+HCOOH"	84.968628
"1422629"	409.183238	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+H+CF3COOH"	115.000138
"1155103"	209.638651	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+3ACN+2H"	125.094202
"1703561"	426.209785	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+NH4+CF3COOH"	132.026685
"1642495"	431.16518	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+Na+CF3COOH"	136.98208
"1586893"	447.13912	"C10462"	"6-Gingerol;(S)-()-6Gingerol;6-Gingerol"	"C17H26O4"	"294.1831"	"M+K+CF3COOH"	152.95602
"807418"	424.1733	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M"	0
"984236"	405.15491	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-H2O-H"	-19.01839
"77947"	281.774924	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M-3H"	-3.021828
"518117"	423.166024	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M-3H"	-3.021828
"895423"	140.383824	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-3H"	-3.021828
"15306"	423.166024	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M-2H"	-2.014552
"455398"	635.252674	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M-2H"	-2.014552
"832502"	211.079374	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-2H"	-2.014552
"93790"	847.339324	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M-H"	-1.007276
"534124"	1271.512624	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M-H"	-1.007276
"910671"	423.166024	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-H"	-1.007276
"62130"	864.365871	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M-2H+NH4"	16.019271
"502632"	1288.539171	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M-2H+NH4"	16.019271
"879582"	440.192571	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-2H+NH4"	16.019271
"43504"	869.321266	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M-2H+Na"	20.974666
"477961"	1293.494566	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M-2H+Na"	20.974666
"861595"	445.147966	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-2H+Na"	20.974666
"1627484"	445.147966	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Na-2H"	20.974666
"109363"	441.154363	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M-H+Cl"	33.962126
"548327"	653.241013	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M-H+Cl"	33.962126
"941114"	229.067713	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-H+Cl"	33.962126
"279306"	883.316002	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+Cl"	34.969402
"674514"	1307.489302	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+Cl"	34.969402
"1287039"	459.142702	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Cl"	34.969402
"29594"	885.295206	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M-2H+K"	36.948606
"467700"	1309.468506	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M-2H+K"	36.948606
"842588"	461.121906	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-2H+K"	36.948606
"1566075"	461.121906	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+K-2H"	36.948606
"957240"	469.171494	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-H+HCOOH"	44.998194
"375820"	893.344801	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+HCOOH-H"	44.998201
"354963"	907.360451	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+Hac-H"	59.013851
"1500515"	483.187151	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Hac-H"	59.013851
"971709"	491.153451	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-H+NaCOOH"	66.980151
"125069"	459.142702	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+2Cl"	69.938804
"565271"	671.229352	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+2Cl"	69.938804
"1035899"	247.056052	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2Cl"	69.938804
"1256819"	503.092185	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Br"	78.918885
"1317196"	505.148172	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Cl+HCOOH"	80.974872
"1334694"	527.130129	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Cl+NaCOOH"	102.956829
"925757"	537.158886	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M-H+CF3COOH"	112.985586
"1300637"	573.135564	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Cl+CF3COOH"	148.962264
"1382617"	389.160624	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H-2H2O"	-35.012676
"1398400"	407.1706	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H-H2O"	-17.0027
"298182"	849.353876	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+H"	1.007276
"690966"	1273.527176	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+H"	1.007276
"1365855"	425.180576	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H"	1.007276
"140808"	425.180576	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+2H"	2.014552
"578302"	637.267226	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+2H"	2.014552
"1047465"	213.093926	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2H"	2.014552
"217555"	283.789476	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+3H"	3.021828
"658575"	425.180576	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+3H"	3.021828
"1176701"	142.398376	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+3H"	3.021828
"432320"	866.380423	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+NH4"	18.033823
"797690"	1290.553723	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+NH4"	18.033823
"1695116"	442.207123	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+NH4"	18.033823
"345423"	433.6938495	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+H+NH4"	19.041099
"736546"	645.7804995	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+H+NH4"	19.041099
"1492563"	221.6071995	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H+NH4"	19.041099
"405034"	871.335818	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+Na"	22.989218
"766029"	1295.509118	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+Na"	22.989218
"1617736"	447.162518	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Na"	22.989218
"325260"	436.171547	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+H+Na"	23.996494
"720842"	648.258197	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+H+Na"	23.996494
"1473690"	224.084897	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H+Na"	23.996494
"1063659"	149.72569	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2H+Na"	25.00377
"1270442"	457.206786	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+CH3OH+H"	33.033486
"392059"	887.309758	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+K"	38.963158
"753296"	1311.483058	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+K"	38.963158
"1551335"	463.136458	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+K"	38.963158
"308512"	444.158517	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+H+K"	39.970434
"702028"	656.245167	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+H+K"	39.970434
"1459125"	232.071867	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H+K"	39.970434
"251298"	890.380426	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+ACN+H"	42.033826
"1223354"	466.207126	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+ACN+H"	42.033826
"1202135"	233.607201	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+ACN+2H"	43.041102
"199380"	893.31776	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+2Na-H"	44.97116
"629950"	1317.49106	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+2Na-H"	44.97116
"1138074"	469.14446	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2Na-H"	44.97116
"184645"	447.162518	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+2Na"	45.978436
"625663"	659.249168	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+2Na"	45.978436
"1130750"	235.075868	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2Na"	45.978436
"1413057"	157.053004	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H+2Na"	46.985712
"1438977"	471.186046	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H+HCOOH"	47.012746
"235112"	452.19554	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+3H2O+2H"	56.04448
"1522931"	485.23809	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+IsoProp+H"	61.06479
"423919"	455.149488	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+Na+K"	61.952376
"783256"	667.236138	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+Na+K"	61.952376
"1678857"	243.062838	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Na+K"	61.952376
"264283"	912.362368	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+ACN+Na"	64.015768
"1239543"	488.189068	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+ACN+Na"	64.015768
"1727700"	488.212593	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+NH4+HCOOH"	64.039293
"1191596"	164.380318	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+3Na"	68.967654
"1659301"	493.167988	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Na+HCOOH"	68.994688
"167257"	925.26564	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+2K-H"	76.91904
"609005"	1349.43894	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+2K-H"	76.91904
"1098869"	501.09234	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2K-H"	76.91904
"151433"	463.136458	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"2M+2K"	77.926316
"595974"	675.223108	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"3M+2K"	77.926316
"1079876"	251.049808	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2K"	77.926316
"1110899"	503.106892	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2K+H"	78.933592
"1350568"	503.194507	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+DMSO+H"	79.021207
"1020800"	507.233676	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2ACN+H"	83.060376
"1535032"	508.227308	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+IsoProp+Na+H"	84.054008
"1001481"	254.120476	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+2ACN+2H"	84.067652
"1600358"	509.141928	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+K+HCOOH"	84.968628
"1422739"	539.173438	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+H+CF3COOH"	115.000138
"1158493"	274.633751	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+3ACN+2H"	125.094202
"1704765"	556.199985	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+NH4+CF3COOH"	132.026685
"1645885"	561.15538	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+Na+CF3COOH"	136.98208
"1587003"	577.12932	"C10463"	"Grandidentatin"	"C21H28O9"	"424.1733"	"M+K+CF3COOH"	152.95602
"807528"	410.1366	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M"	0
"977785"	391.11821	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-H2O-H"	-19.01839
"73682"	272.417124	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M-3H"	-3.021828
"516158"	409.129324	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M-3H"	-3.021828
"893236"	135.704924	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-3H"	-3.021828
"13268"	409.129324	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M-2H"	-2.014552
"452459"	614.197624	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M-2H"	-2.014552
"825887"	204.061024	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-2H"	-2.014552
"92440"	819.265924	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M-H"	-1.007276
"533094"	1229.402524	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M-H"	-1.007276
"905432"	409.129324	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-H"	-1.007276
"60780"	836.292471	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M-2H+NH4"	16.019271
"501800"	1246.429071	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M-2H+NH4"	16.019271
"878993"	426.155871	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-2H+NH4"	16.019271
"35230"	841.247866	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M-2H+Na"	20.974666
"473696"	1251.384466	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M-2H+Na"	20.974666
"855871"	431.111266	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-2H+Na"	20.974666
"1626501"	431.111266	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Na-2H"	20.974666
"108499"	427.117663	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M-H+Cl"	33.962126
"549409"	632.185963	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M-H+Cl"	33.962126
"941589"	222.049363	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-H+Cl"	33.962126
"280143"	855.242602	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+Cl"	34.969402
"673653"	1265.379202	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+Cl"	34.969402
"1284960"	445.106002	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Cl"	34.969402
"29704"	857.221806	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M-2H+K"	36.948606
"467079"	1267.358406	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M-2H+K"	36.948606
"844881"	447.085206	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-2H+K"	36.948606
"1566186"	447.085206	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+K-2H"	36.948606
"956257"	455.134794	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-H+HCOOH"	44.998194
"371190"	865.271401	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+HCOOH-H"	44.998201
"355073"	879.287051	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+Hac-H"	59.013851
"1498073"	469.150451	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Hac-H"	59.013851
"968169"	477.116751	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-H+NaCOOH"	66.980151
"123634"	445.106002	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+2Cl"	69.938804
"562101"	650.174302	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+2Cl"	69.938804
"1033818"	240.037702	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2Cl"	69.938804
"1255588"	489.055485	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Br"	78.918885
"1316940"	491.111472	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Cl+HCOOH"	80.974872
"1335049"	513.093429	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Cl+NaCOOH"	102.956829
"926760"	523.122186	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M-H+CF3COOH"	112.985586
"1301111"	559.098864	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Cl+CF3COOH"	148.962264
"1380003"	375.123924	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H-2H2O"	-35.012676
"1398326"	393.1339	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H-H2O"	-17.0027
"298459"	821.280476	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+H"	1.007276
"688520"	1231.417076	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+H"	1.007276
"1359036"	411.143876	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H"	1.007276
"138485"	411.143876	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+2H"	2.014552
"572578"	616.212176	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+2H"	2.014552
"1046481"	206.075576	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2H"	2.014552
"218031"	274.431676	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+3H"	3.021828
"657954"	411.143876	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+3H"	3.021828
"1177537"	137.719476	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+3H"	3.021828
"425870"	838.307023	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+NH4"	18.033823
"785970"	1248.443623	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+NH4"	18.033823
"1682587"	428.170423	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+NH4"	18.033823
"334754"	419.6571495	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+H+NH4"	19.041099
"728270"	624.7254495	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+H+NH4"	19.041099
"1486463"	214.5888495	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H+NH4"	19.041099
"402957"	843.262418	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+Na"	22.989218
"760671"	1253.399018	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+Na"	22.989218
"1612051"	433.125818	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Na"	22.989218
"322088"	422.134847	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+H+Na"	23.996494
"712324"	627.203147	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+H+Na"	23.996494
"1468331"	217.066547	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H+Na"	23.996494
"1059391"	145.04679	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2H+Na"	25.00377
"1269818"	443.170086	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+CH3OH+H"	33.033486
"391312"	859.236358	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+K"	38.963158
"749392"	1269.372958	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+K"	38.963158
"1551444"	449.099758	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+K"	38.963158
"307527"	430.121817	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+H+K"	39.970434
"702137"	635.190117	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+H+K"	39.970434
"1453768"	225.053517	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H+K"	39.970434
"250027"	862.307026	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+ACN+H"	42.033826
"1223828"	452.170426	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+ACN+H"	42.033826
"1205525"	226.588851	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+ACN+2H"	43.041102
"198397"	865.24436	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+2Na-H"	44.97116
"629332"	1275.38096	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+2Na-H"	44.97116
"1139277"	455.10776	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2Na-H"	44.97116
"184754"	433.125818	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+2Na"	45.978436
"626136"	638.194118	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+2Na"	45.978436
"1123447"	228.057518	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2Na"	45.978436
"1405875"	152.374104	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H+2Na"	46.985712
"1437992"	457.149346	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H+HCOOH"	47.012746
"228780"	438.15884	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+3H2O+2H"	56.04448
"1520123"	471.20139	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+IsoProp+H"	61.06479
"416531"	441.112788	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+Na+K"	61.952376
"778620"	646.181088	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+Na+K"	61.952376
"1678967"	236.044488	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Na+K"	61.952376
"263664"	884.288968	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+ACN+Na"	64.015768
"1238923"	474.152368	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+ACN+Na"	64.015768
"1727443"	474.175893	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+NH4+HCOOH"	64.039293
"1189519"	159.701418	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+3Na"	68.967654
"1657224"	479.131288	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Na+HCOOH"	68.994688
"167367"	897.19224	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+2K-H"	76.91904
"609115"	1307.32884	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+2K-H"	76.91904
"1098612"	487.05564	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2K-H"	76.91904
"155914"	449.099758	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"2M+2K"	77.926316
"595111"	654.168058	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"3M+2K"	77.926316
"1079986"	244.031458	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2K"	77.926316
"1111009"	489.070192	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2K+H"	78.933592
"1344113"	489.157807	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+DMSO+H"	79.021207
"1019205"	493.196976	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2ACN+H"	83.060376
"1527848"	494.190608	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+IsoProp+Na+H"	84.054008
"997215"	247.102126	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+2ACN+2H"	84.067652
"1592811"	495.105228	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+K+HCOOH"	84.968628
"1418473"	525.136738	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+H+CF3COOH"	115.000138
"1152042"	267.615401	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+3ACN+2H"	125.094202
"1704874"	542.163285	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+NH4+CF3COOH"	132.026685
"1640527"	547.11868	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+Na+CF3COOH"	136.98208
"1577272"	563.09262	"C10464"	"12a-Hydroxyrotenone"	"C23H22O7"	"410.1366"	"M+K+CF3COOH"	152.95602
"807638"	522.1373	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M"	0
"976802"	503.11891	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-H2O-H"	-19.01839
"69418"	347.084257333333	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M-3H"	-3.021828
"516268"	521.130024	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M-3H"	-3.021828
"890060"	173.038490666667	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-3H"	-3.021828
"12645"	521.130024	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M-2H"	-2.014552
"448195"	782.198674	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M-2H"	-2.014552
"825997"	260.061374	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-2H"	-2.014552
"93040"	1043.267324	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M-H"	-1.007276
"526643"	1565.404624	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M-H"	-1.007276
"908579"	521.130024	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-H"	-1.007276
"60526"	1060.293871	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M-2H+NH4"	16.019271
"500938"	1582.431171	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M-2H+NH4"	16.019271
"879225"	538.156571	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-2H+NH4"	16.019271
"37528"	1065.249266	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M-2H+Na"	20.974666
"478181"	1587.386566	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M-2H+Na"	20.974666
"854889"	543.111966	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-2H+Na"	20.974666
"1626611"	543.111966	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Na-2H"	20.974666
"107516"	539.118363	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M-H+Cl"	33.962126
"549938"	800.187013	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M-H+Cl"	33.962126
"942675"	278.049713	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-H+Cl"	33.962126
"280618"	1079.244002	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+Cl"	34.969402
"673034"	1601.381302	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+Cl"	34.969402
"1285070"	557.106702	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Cl"	34.969402
"28721"	1081.223206	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M-2H+K"	36.948606
"466095"	1603.360506	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M-2H+K"	36.948606
"839523"	559.085906	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-2H+K"	36.948606
"1569937"	559.085906	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+K-2H"	36.948606
"954903"	567.135494	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-H+HCOOH"	44.998194
"371300"	1089.272801	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+HCOOH-H"	44.998201
"352996"	1103.288451	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+Hac-H"	59.013851
"1497455"	581.151151	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Hac-H"	59.013851
"971199"	589.117451	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-H+NaCOOH"	66.980151
"122653"	557.106702	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+2Cl"	69.938804
"564399"	818.175352	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+2Cl"	69.938804
"1035755"	296.038052	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2Cl"	69.938804
"1255334"	601.056185	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Br"	78.918885
"1317415"	603.112172	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Cl+HCOOH"	80.974872
"1333091"	625.094129	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Cl+NaCOOH"	102.956829
"926912"	635.122886	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M-H+CF3COOH"	112.985586
"1300492"	671.099564	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Cl+CF3COOH"	148.962264
"1379020"	487.124624	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H-2H2O"	-35.012676
"1398267"	505.1346	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H-H2O"	-17.0027
"298317"	1045.281876	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+H"	1.007276
"686078"	1567.419176	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+H"	1.007276
"1359146"	523.144576	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H"	1.007276
"130940"	523.144576	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+2H"	2.014552
"569408"	784.213226	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+2H"	2.014552
"1043674"	262.075926	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2H"	2.014552
"214494"	349.098809333333	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+3H"	3.021828
"655147"	523.144576	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+3H"	3.021828
"1176189"	175.053042666667	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+3H"	3.021828
"432538"	1062.308423	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+NH4"	18.033823
"794627"	1584.445723	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+NH4"	18.033823
"1692053"	540.171123	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+NH4"	18.033823
"330121"	531.6578495	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+H+NH4"	19.041099
"728378"	792.7264995	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+H+NH4"	19.041099
"1486573"	270.5891995	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H+NH4"	19.041099
"403067"	1067.263818	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+Na"	22.989218
"758594"	1589.401118	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+Na"	22.989218
"1613254"	545.126518	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Na"	22.989218
"323291"	534.135547	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+H+Na"	23.996494
"713527"	795.204197	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+H+Na"	23.996494
"1469534"	273.066897	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H+Na"	23.996494
"1060594"	182.380356666667	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2H+Na"	25.00377
"1271021"	555.170786	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+CH3OH+H"	33.033486
"390693"	1083.237758	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+K"	38.963158
"751687"	1605.375058	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+K"	38.963158
"1549367"	561.100458	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+K"	38.963158
"308730"	542.122517	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+H+K"	39.970434
"702247"	803.191167	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+H+K"	39.970434
"1454971"	281.053867	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H+K"	39.970434
"246856"	1086.308426	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+ACN+H"	42.033826
"1220657"	564.171126	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+ACN+H"	42.033826
"1203448"	282.589201	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+ACN+2H"	43.041102
"197414"	1089.24576	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+2Na-H"	44.97116
"629556"	1611.38306	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+2Na-H"	44.97116
"1137200"	567.10846	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2Na-H"	44.97116
"179397"	545.126518	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+2Na"	45.978436
"620050"	806.195168	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+2Na"	45.978436
"1118089"	284.057868	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2Na"	45.978436
"1398815"	189.707670666667	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H+2Na"	46.985712
"1430446"	569.150046	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H+HCOOH"	47.012746
"221964"	550.15954	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+3H2O+2H"	56.04448
"1510392"	583.20209	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+IsoProp+H"	61.06479
"414454"	553.113488	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+Na+K"	61.952376
"777636"	814.182138	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+Na+K"	61.952376
"1680168"	292.044838	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Na+K"	61.952376
"262316"	1108.290368	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+ACN+Na"	64.015768
"1237574"	586.153068	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+ACN+Na"	64.015768
"1725367"	586.176593	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+NH4+HCOOH"	64.039293
"1189629"	197.034984666667	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+3Na"	68.967654
"1656240"	591.131988	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Na+HCOOH"	68.994688
"166384"	1121.19364	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+2K-H"	76.91904
"609225"	1643.33094	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+2K-H"	76.91904
"1097021"	599.05634	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2K-H"	76.91904
"152744"	561.100458	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"2M+2K"	77.926316
"594492"	822.169108	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"3M+2K"	77.926316
"1077909"	300.031808	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2K"	77.926316
"1110024"	601.070892	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2K+H"	78.933592
"1340943"	601.158507	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+DMSO+H"	79.021207
"1011660"	605.197676	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2ACN+H"	83.060376
"1529781"	606.191308	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+IsoProp+Na+H"	84.054008
"998418"	303.102476	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+2ACN+2H"	84.067652
"1595107"	607.105928	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+K+HCOOH"	84.968628
"1419675"	637.137438	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+H+CF3COOH"	115.000138
"1153245"	323.615751	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+3ACN+2H"	125.094202
"1708263"	654.163985	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+NH4+CF3COOH"	132.026685
"1640637"	659.11938	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+Na+CF3COOH"	136.98208
"1577382"	675.09332	"C10465"	"Iridin"	"C24H26O13"	"522.1373"	"M+K+CF3COOH"	152.95602
"807748"	656.1953	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M"	0
"976912"	637.17691	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-H2O-H"	-19.01839
"69528"	436.456257333333	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M-3H"	-3.021828
"516744"	655.188024	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M-3H"	-3.021828
"890170"	217.724490666667	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-3H"	-3.021828
"11662"	655.188024	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M-2H"	-2.014552
"448305"	983.285674	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M-2H"	-2.014552
"827201"	327.090374	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-2H"	-2.014552
"92906"	1311.383324	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M-H"	-1.007276
"525660"	1967.578624	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M-H"	-1.007276
"902371"	655.188024	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-H"	-1.007276
"61001"	1328.409871	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M-2H+NH4"	16.019271
"501413"	1984.605171	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M-2H+NH4"	16.019271
"879093"	672.214571	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-2H+NH4"	16.019271
"37638"	1333.365266	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M-2H+Na"	20.974666
"478291"	1989.560566	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M-2H+Na"	20.974666
"856092"	677.169966	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-2H+Na"	20.974666
"1621254"	677.169966	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Na-2H"	20.974666
"99972"	673.176363	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M-H+Cl"	33.962126
"548899"	1001.274013	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M-H+Cl"	33.962126
"941806"	345.078713	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-H+Cl"	33.962126
"279268"	1347.360002	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+Cl"	34.969402
"670591"	2003.555302	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+Cl"	34.969402
"1281900"	691.164702	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Cl"	34.969402
"27737"	1349.339206	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M-2H+K"	36.948606
"462925"	2005.534506	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M-2H+K"	36.948606
"837446"	693.143906	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-2H+K"	36.948606
"1569683"	693.143906	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+K-2H"	36.948606
"952097"	701.193494	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-H+HCOOH"	44.998194
"373232"	1357.388801	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+HCOOH-H"	44.998201
"355293"	1371.404451	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+Hac-H"	59.013851
"1501939"	715.209151	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Hac-H"	59.013851
"969849"	723.175451	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-H+NaCOOH"	66.980151
"122767"	691.164702	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+2Cl"	69.938804
"562324"	1019.262352	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+2Cl"	69.938804
"1033313"	363.067052	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2Cl"	69.938804
"1255812"	735.114185	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Br"	78.918885
"1315704"	737.170172	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Cl+HCOOH"	80.974872
"1333930"	759.152129	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Cl+NaCOOH"	102.956829
"926695"	769.180886	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M-H+CF3COOH"	112.985586
"1300603"	805.157564	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Cl+CF3COOH"	148.962264
"1379495"	621.182624	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H-2H2O"	-35.012676
"1398019"	639.1926	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H-H2O"	-17.0027
"298147"	1313.397876	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+H"	1.007276
"688011"	1969.593176	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+H"	1.007276
"1359257"	657.202576	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H"	1.007276
"133603"	657.202576	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+2H"	2.014552
"572798"	985.300226	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+2H"	2.014552
"1049982"	329.104926	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2H"	2.014552
"217155"	438.470809333333	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+3H"	3.021828
"655258"	657.202576	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+3H"	3.021828
"1177029"	219.739042666667	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+3H"	3.021828
"433741"	1330.424423	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+NH4"	18.033823
"795831"	1986.619723	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+NH4"	18.033823
"1685602"	674.229123	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+NH4"	18.033823
"334974"	665.7158495	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+H+NH4"	19.041099
"727395"	993.8134995	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+H+NH4"	19.041099
"1486683"	337.6181995	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H+NH4"	19.041099
"407677"	1335.379818	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+Na"	22.989218
"767454"	1991.575118	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+Na"	22.989218
"1617866"	679.184518	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Na"	22.989218
"328750"	668.193547	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+H+Na"	23.996494
"716920"	996.291197	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+H+Na"	23.996494
"1475114"	340.095897	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H+Na"	23.996494
"1063986"	227.066356666667	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2H+Na"	25.00377
"1270039"	689.228786	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+CH3OH+H"	33.033486
"388616"	1351.353758	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+K"	38.963158
"750705"	2007.549058	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+K"	38.963158
"1552759"	695.158458	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+K"	38.963158
"308842"	676.180517	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+H+K"	39.970434
"703449"	1004.278167	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+H+K"	39.970434
"1458362"	348.082867	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H+K"	39.970434
"248789"	1354.424426	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+ACN+H"	42.033826
"1221863"	698.229126	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+ACN+H"	42.033826
"1205746"	349.618201	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+ACN+2H"	43.041102
"199710"	1357.36176	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+2Na-H"	44.97116
"632710"	2013.55706	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+2Na-H"	44.97116
"1137310"	701.16646	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2Na-H"	44.97116
"182787"	679.184518	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+2Na"	45.978436
"620160"	1007.282168	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+2Na"	45.978436
"1117470"	351.086868	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2Na"	45.978436
"1398843"	234.393670666667	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H+2Na"	46.985712
"1430027"	703.208046	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H+HCOOH"	47.012746
"221343"	684.21754	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+3H2O+2H"	56.04448
"1510866"	717.26009	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+IsoProp+H"	61.06479
"414564"	687.171488	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+Na+K"	61.952376
"774466"	1015.269138	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+Na+K"	61.952376
"1680765"	359.073838	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Na+K"	61.952376
"266882"	1376.406368	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+ACN+Na"	64.015768
"1235500"	720.211068	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+ACN+Na"	64.015768
"1727303"	720.234593	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+NH4+HCOOH"	64.039293
"1189736"	241.720984666667	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+3Na"	68.967654
"1656350"	725.189988	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Na+HCOOH"	68.994688
"168680"	1389.30964	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+2K-H"	76.91904
"609335"	2045.50494	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+2K-H"	76.91904
"1098712"	733.11434	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2K-H"	76.91904
"153947"	695.158458	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"2M+2K"	77.926316
"594360"	1023.256108	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"3M+2K"	77.926316
"1078019"	367.060808	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2K"	77.926316
"1110134"	735.128892	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2K+H"	78.933592
"1344334"	735.216507	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+DMSO+H"	79.021207
"1015050"	739.255676	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2ACN+H"	83.060376
"1529891"	740.249308	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+IsoProp+Na+H"	84.054008
"996340"	370.131476	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+2ACN+2H"	84.067652
"1595216"	741.163928	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+K+HCOOH"	84.968628
"1418693"	771.195438	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+H+CF3COOH"	115.000138
"1152263"	390.644751	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+3ACN+2H"	125.094202
"1707281"	788.221985	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+NH4+CF3COOH"	132.026685
"1639652"	793.17738	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+Na+CF3COOH"	136.98208
"1574210"	809.15132	"C10466"	"Hellicoside"	"C29H36O17"	"656.1953"	"M+K+CF3COOH"	152.95602
"815514"	298.0477	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M"	0
"983582"	279.02931	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-H2O-H"	-19.01839
"70731"	197.691190666667	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M-3H"	-3.021828
"511386"	297.040424	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M-3H"	-3.021828
"889189"	98.3419573333333	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-3H"	-3.021828
"12138"	297.040424	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M-2H"	-2.014552
"452792"	446.064274	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M-2H"	-2.014552
"828408"	148.016574	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-2H"	-2.014552
"92772"	595.088124	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M-H"	-1.007276
"531242"	893.135824	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M-H"	-1.007276
"900294"	297.040424	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-H"	-1.007276
"51391"	612.114671	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M-2H+NH4"	16.019271
"495324"	910.162371	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M-2H+NH4"	16.019271
"879081"	314.066971	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-2H+NH4"	16.019271
"38843"	617.070066	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M-2H+Na"	20.974666
"478403"	915.117766	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M-2H+Na"	20.974666
"859485"	319.022366	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-2H+Na"	20.974666
"1631208"	319.022366	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Na-2H"	20.974666
"103362"	315.028763	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M-H+Cl"	33.962126
"549135"	464.052613	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M-H+Cl"	33.962126
"941798"	166.004913	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-H+Cl"	33.962126
"280837"	631.064802	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+Cl"	34.969402
"672164"	929.112502	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+Cl"	34.969402
"1285659"	333.017102	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Cl"	34.969402
"28578"	633.044006	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M-2H+K"	36.948606
"469597"	931.091706	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M-2H+K"	36.948606
"845578"	334.996306	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-2H+K"	36.948606
"1569793"	334.996306	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+K-2H"	36.948606
"954763"	343.045894	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-H+HCOOH"	44.998194
"369331"	641.093601	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+HCOOH-H"	44.998201
"355401"	655.109251	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+Hac-H"	59.013851
"1500954"	357.061551	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Hac-H"	59.013851
"968496"	365.027851	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-H+NaCOOH"	66.980151
"118497"	333.017102	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+2Cl"	69.938804
"562435"	482.040952	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+2Cl"	69.938804
"1036103"	183.993252	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2Cl"	69.938804
"1256288"	376.966585	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Br"	78.918885
"1319476"	379.022572	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Cl+HCOOH"	80.974872
"1335438"	401.004529	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Cl+NaCOOH"	102.956829
"926956"	411.033286	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M-H+CF3COOH"	112.985586
"1303975"	447.009964	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Cl+CF3COOH"	148.962264
"1381063"	263.035024	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H-2H2O"	-35.012676
"1398295"	281.045	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H-H2O"	-17.0027
"298324"	597.102676	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+H"	1.007276
"690068"	895.150376	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+H"	1.007276
"1362283"	299.054976	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H"	1.007276
"137358"	299.054976	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+2H"	2.014552
"581248"	448.078826	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+2H"	2.014552
"1051553"	150.031126	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2H"	2.014552
"218361"	199.705742666667	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+3H"	3.021828
"659878"	299.054976	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+3H"	3.021828
"1176776"	100.356509333333	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+3H"	3.021828
"438227"	614.129223	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+NH4"	18.033823
"795942"	912.176923	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+NH4"	18.033823
"1690087"	316.081523	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+NH4"	18.033823
"340552"	307.5682495	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+H+NH4"	19.041099
"735160"	456.5920995	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+H+NH4"	19.041099
"1486793"	158.5443995	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H+NH4"	19.041099
"403288"	619.084618	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+Na"	22.989218
"767200"	917.132318	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+Na"	22.989218
"1618019"	321.036918	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Na"	22.989218
"329227"	310.045947	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+H+Na"	23.996494
"720312"	459.069797	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+H+Na"	23.996494
"1470852"	161.022097	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H+Na"	23.996494
"1065193"	107.683823333333	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2H+Na"	25.00377
"1271817"	331.081186	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+CH3OH+H"	33.033486
"392091"	635.058558	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+K"	38.963158
"752886"	933.106258	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+K"	38.963158
"1553963"	337.010858	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+K"	38.963158
"306768"	318.032917	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+H+K"	39.970434
"699189"	467.056767	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+H+K"	39.970434
"1455194"	169.009067	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H+K"	39.970434
"244893"	638.129226	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+ACN+H"	42.033826
"1218694"	340.081526	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+ACN+H"	42.033826
"1200390"	170.544401	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+ACN+2H"	43.041102
"190711"	641.06656	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+2Na-H"	44.97116
"637196"	939.11426	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+2Na-H"	44.97116
"1132684"	343.01886	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2Na-H"	44.97116
"177795"	321.036918	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+2Na"	45.978436
"619178"	470.060768	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+2Na"	45.978436
"1127056"	172.013068	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2Na"	45.978436
"1401832"	115.011137333333	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H+2Na"	46.985712
"1433948"	345.060446	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H+HCOOH"	47.012746
"228019"	326.06994	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+3H2O+2H"	56.04448
"1516081"	359.11249	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+IsoProp+H"	61.06479
"416861"	329.023888	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+Na+K"	61.952376
"774576"	478.047738	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+Na+K"	61.952376
"1681255"	180.000038	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Na+K"	61.952376
"264359"	660.111168	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+ACN+Na"	64.015768
"1239620"	362.063468	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+ACN+Na"	64.015768
"1723767"	362.086993	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+NH4+HCOOH"	64.039293
"1188757"	122.338451333333	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+3Na"	68.967654
"1665420"	367.042388	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Na+HCOOH"	68.994688
"172322"	673.01444	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+2K-H"	76.91904
"610910"	971.06214	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+2K-H"	76.91904
"1098945"	374.96674	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2K-H"	76.91904
"154910"	337.010858	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"2M+2K"	77.926316
"592527"	486.034708	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"3M+2K"	77.926316
"1082383"	187.987008	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2K"	77.926316
"1111340"	376.981292	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2K+H"	78.933592
"1345537"	377.068907	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+DMSO+H"	79.021207
"1012973"	381.108076	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2ACN+H"	83.060376
"1532192"	382.101708	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+IsoProp+Na+H"	84.054008
"996454"	191.057676	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+2ACN+2H"	84.067652
"1589864"	383.016328	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+K+HCOOH"	84.968628
"1416616"	413.047838	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+H+CF3COOH"	115.000138
"1157839"	211.570951	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+3ACN+2H"	125.094202
"1699737"	430.074385	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+NH4+CF3COOH"	132.026685
"1639763"	435.02978	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+Na+CF3COOH"	136.98208
"1577602"	451.00372	"C10467"	"Irilone"	"C16H10O6"	"298.0477"	"M+K+CF3COOH"	152.95602
"807968"	516.1268	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M"	0
"981507"	497.10841	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-H2O-H"	-19.01839
"73029"	343.077257333333	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M-3H"	-3.021828
"511495"	515.119524	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M-3H"	-3.021828
"890393"	171.034990666667	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-3H"	-3.021828
"12250"	515.119524	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M-2H"	-2.014552
"452538"	773.182924	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M-2H"	-2.014552
"827425"	257.056124	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-2H"	-2.014552
"91789"	1031.246324	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M-H"	-1.007276
"529166"	1547.373124	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M-H"	-1.007276
"901499"	515.119524	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-H"	-1.007276
"54782"	1048.272871	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M-2H+NH4"	16.019271
"495434"	1564.399671	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M-2H+NH4"	16.019271
"873236"	532.146071	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-2H+NH4"	16.019271
"40049"	1053.228266	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M-2H+Na"	20.974666
"480701"	1569.355066	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M-2H+Na"	20.974666
"856315"	537.101466	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-2H+Na"	20.974666
"1629132"	537.101466	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Na-2H"	20.974666
"103472"	533.107863	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M-H+Cl"	33.962126
"549734"	791.171263	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M-H+Cl"	33.962126
"942557"	275.044463	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-H+Cl"	33.962126
"281311"	1067.223002	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+Cl"	34.969402
"674095"	1583.349802	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+Cl"	34.969402
"1286133"	551.096202	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Cl"	34.969402
"27595"	1069.202206	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M-2H+K"	36.948606
"469709"	1585.329006	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M-2H+K"	36.948606
"847146"	553.075406	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-2H+K"	36.948606
"1568810"	553.075406	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+K-2H"	36.948606
"954508"	561.124994	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-H+HCOOH"	44.998194
"370534"	1077.251801	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+HCOOH-H"	44.998201
"356606"	1091.267451	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+Hac-H"	59.013851
"1500699"	575.140651	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Hac-H"	59.013851
"968608"	583.106951	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-H+NaCOOH"	66.980151
"120430"	551.096202	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+2Cl"	69.938804
"561086"	809.159602	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+2Cl"	69.938804
"1035602"	293.032802	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2Cl"	69.938804
"1256723"	595.045685	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Br"	78.918885
"1319785"	597.101672	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Cl+HCOOH"	80.974872
"1335128"	619.083629	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Cl+NaCOOH"	102.956829
"926757"	629.112386	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M-H+CF3COOH"	112.985586
"1303625"	665.089064	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Cl+CF3COOH"	148.962264
"1381781"	481.114124	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H-2H2O"	-35.012676
"1392113"	499.1241	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H-H2O"	-17.0027
"293987"	1033.260876	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+H"	1.007276
"688597"	1549.387676	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+H"	1.007276
"1364581"	517.134076	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H"	1.007276
"137834"	517.134076	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+2H"	2.014552
"575206"	775.197476	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+2H"	2.014552
"1049475"	259.070676	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2H"	2.014552
"217377"	345.091809333333	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+3H"	3.021828
"656937"	517.134076	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+3H"	3.021828
"1168503"	173.049542666667	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+3H"	3.021828
"429589"	1050.287423	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+NH4"	18.033823
"788762"	1566.414223	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+NH4"	18.033823
"1686914"	534.160623	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+NH4"	18.033823
"335194"	525.6473495	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+H+NH4"	19.041099
"728709"	783.7107495	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+H+NH4"	19.041099
"1478519"	267.5839495	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H+NH4"	19.041099
"403398"	1055.242818	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+Na"	22.989218
"767310"	1571.369618	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+Na"	22.989218
"1617961"	539.116018	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Na"	22.989218
"324717"	528.125047	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+H+Na"	23.996494
"720421"	786.188447	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+H+Na"	23.996494
"1474242"	270.061647	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H+Na"	23.996494
"1062023"	180.376856666667	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2H+Na"	25.00377
"1269169"	549.160286	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+CH3OH+H"	33.033486
"390660"	1071.216758	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+K"	38.963158
"752023"	1587.343558	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+K"	38.963158
"1550792"	555.089958	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+K"	38.963158
"305785"	536.112017	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+H+K"	39.970434
"698205"	794.175417	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+H+K"	39.970434
"1455305"	278.048617	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H+K"	39.970434
"243909"	1074.287426	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+ACN+H"	42.033826
"1216616"	558.160626	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+ACN+H"	42.033826
"1197584"	279.583951	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+ACN+2H"	43.041102
"190821"	1077.22476	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+2Na-H"	44.97116
"629528"	1593.35156	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+2Na-H"	44.97116
"1132915"	561.09796	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2Na-H"	44.97116
"174625"	539.116018	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+2Na"	45.978436
"621474"	797.179418	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+2Na"	45.978436
"1121699"	281.052618	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2Na"	45.978436
"1403036"	187.704170666667	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H+2Na"	46.985712
"1432601"	563.139546	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H+HCOOH"	47.012746
"228129"	544.14904	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+3H2O+2H"	56.04448
"1514005"	577.19159	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+IsoProp+H"	61.06479
"416971"	547.102988	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+Na+K"	61.952376
"773957"	805.166388	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+Na+K"	61.952376
"1681228"	289.039588	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Na+K"	61.952376
"264469"	1096.269368	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+ACN+Na"	64.015768
"1239975"	580.142568	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+ACN+Na"	64.015768
"1724241"	580.166093	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+NH4+HCOOH"	64.039293
"1191783"	195.031484666667	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+3Na"	68.967654
"1665080"	585.121488	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Na+HCOOH"	68.994688
"171823"	1109.17264	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+2K-H"	76.91904
"612235"	1625.29944	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+2K-H"	76.91904
"1099666"	593.04584	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2K-H"	76.91904
"155750"	555.089958	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"2M+2K"	77.926316
"591543"	813.153358	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"3M+2K"	77.926316
"1079336"	297.026558	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2K"	77.926316
"1109264"	595.060392	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2K+H"	78.933592
"1346742"	595.148007	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+DMSO+H"	79.021207
"1013083"	599.187176	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2ACN+H"	83.060376
"1529022"	600.180808	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+IsoProp+Na+H"	84.054008
"996564"	300.097226	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+2ACN+2H"	84.067652
"1591068"	601.095428	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+K+HCOOH"	84.968628
"1418914"	631.126938	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+H+CF3COOH"	115.000138
"1151389"	320.610501	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+3ACN+2H"	125.094202
"1702034"	648.153485	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+NH4+CF3COOH"	132.026685
"1639874"	653.10888	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+Na+CF3COOH"	136.98208
"1577712"	669.08282	"C10468"	"Isochlorogenic acid b"	"C25H24O12"	"516.1268"	"M+K+CF3COOH"	152.95602
"808078"	164.0837	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M"	0
"981617"	145.06531	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"75327"	108.381857333333	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"516709"	163.076424	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"892691"	53.6872906666667	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"11997"	163.076424	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"450828"	245.118274	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"826442"	81.034574	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"92872"	327.160124	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"529278"	491.243824	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"902704"	163.076424	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"54892"	344.186671	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"497731"	508.270371	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"876626"	180.102971	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"41254"	349.142066	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"479719"	513.225766	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"856426"	185.058366	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1629244"	185.058366	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"103582"	181.064763	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"548986"	263.106613	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"942776"	99.022913	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"280690"	363.136802	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"674205"	527.220502	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1286243"	199.053102	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"23695"	365.116006	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"467635"	529.199706	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"845436"	201.032306	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1567827"	201.032306	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"948060"	209.081894	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"369551"	373.165601	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"351251"	387.181251	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1502271"	223.097551	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"968720"	231.063851	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"120912"	199.053102	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"561565"	281.094952	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1035469"	117.011252	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1255412"	243.002585	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1318592"	245.058572	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1333903"	267.040529	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"925691"	277.069286	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1303493"	313.045964	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1379096"	129.071024	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1394412"	147.081	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"293007"	329.174676	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"687614"	493.258376	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1363962"	165.090976	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"135758"	165.090976	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"574226"	247.132826	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1040837"	83.049126	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"210927"	110.396409333333	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"651580"	165.090976	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1163141"	55.7018426666667	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"425690"	346.201223	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"789967"	510.284923	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1683744"	182.117523	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"332387"	173.6042495	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"732099"	255.6460995	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1480452"	91.5623995	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"398041"	351.156618	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"761224"	515.240318	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1614791"	187.072918	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"323734"	176.081947	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"718344"	258.123797	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1472165"	94.040097	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1064319"	63.0291566666667	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1271465"	197.117186	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"391499"	367.130558	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"752862"	531.214258	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1553089"	203.046858	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"308080"	184.068917	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"700504"	266.110767	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1456510"	102.027067	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"246207"	370.201226	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1215633"	206.117526	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1196601"	103.562401	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"193847"	373.13856	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"629517"	537.22226	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1133997"	209.05486	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"178015"	187.072918	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"618304"	269.114768	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1118528"	105.031068	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1403146"	70.3564706666667	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1433076"	211.096446	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"225323"	192.10594	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1514115"	225.14849	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"417081"	195.059888	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"775890"	277.101738	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1681142"	113.018038	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"261663"	392.183168	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1240085"	228.099468	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1722165"	228.122993	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1190799"	77.6837846666667	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1662152"	233.078388	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"170109"	405.08644	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"611980"	569.17014	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1095273"	241.00274	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"155981"	203.046858	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"595783"	285.088708	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1080539"	121.005008	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1109374"	243.017292	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1346852"	243.104907	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1013193"	247.144076	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1528038"	248.137708	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"995581"	124.075676	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1588990"	249.052328	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1416472"	279.083838	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1150406"	144.588951	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1703237"	296.110385	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1639984"	301.06578	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1577822"	317.03972	"C10469"	"Isoeugenol"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"808188"	194.0579	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M"	0
"984643"	175.03951	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"73249"	128.364657333333	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"511716"	193.050624	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"892433"	63.6786906666667	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"14170"	193.050624	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"452026"	290.079574	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"828740"	96.021674	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"90920"	387.108524	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"531933"	581.166424	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"906461"	193.050624	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"56825"	404.135071	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"499301"	598.192971	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"875643"	210.077171	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"40269"	409.090466	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"479830"	603.148366	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"857630"	215.032566	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1623881"	215.032566	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"105877"	211.038963	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"548364"	308.067913	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"942453"	114.010013	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"281288"	423.085202	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"674315"	617.143102	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1285260"	229.027302	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"23805"	425.064406	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"464465"	619.122306	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"843359"	231.006506	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1567939"	231.006506	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"951450"	239.056094	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"368569"	433.114001	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"352454"	447.129651	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1499102"	253.071751	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"971746"	261.038051	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"119562"	229.027302	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"560579"	326.056252	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1034120"	131.998352	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1255157"	272.976785	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1318700"	275.032772	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1334014"	297.014729	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"926165"	307.043486	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1303118"	343.020164	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1380298"	159.045224	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1392333"	177.0552	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"293115"	389.123076	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"689912"	583.180976	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1365166"	195.065176	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"135868"	195.065176	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"574334"	292.094126	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1044227"	98.036226	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"211038"	130.379209333333	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"651690"	195.065176	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1164714"	65.6932426666667	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"429080"	406.149623	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"790806"	600.207523	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1683854"	212.091723	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"332133"	203.5784495	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"732209"	300.6073995	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1480562"	106.5494995	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"398515"	411.105018	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"765709"	605.162918	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1614901"	217.047118	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"321658"	206.056147	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"719550"	303.085097	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1466809"	109.027197	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1063335"	73.0205566666667	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1270361"	227.091386	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"392095"	427.078958	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"753579"	621.136858	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1552107"	233.021058	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"308190"	214.043117	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"701707"	311.072067	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1456620"	117.014167	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"243035"	430.149626	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1216837"	236.091726	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1198534"	118.549501	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"189945"	433.08696	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"628774"	627.14486	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1132404"	239.02906	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"177032"	217.047118	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"618414"	314.076068	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1117908"	120.018168	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1403256"	80.3478706666667	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1432457"	241.070646	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"221910"	222.08014	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1513131"	255.12269	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"413911"	225.034088	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"776000"	322.063038	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1680357"	128.005138	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"262867"	452.131568	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1240195"	258.073668	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1719360"	258.097193	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1186900"	87.6751846666667	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1657887"	263.052588	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"171311"	465.03484	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"611603"	659.09274	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1092102"	270.97694	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"153294"	233.021058	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"591761"	330.050008	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1076275"	135.992108	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1109484"	272.991492	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1346962"	273.079107	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1014397"	277.118276	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1530335"	278.111908	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"993504"	139.062776	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1589099"	279.026528	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1416946"	309.058038	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1154889"	159.576051	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1705534"	326.084585	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1640094"	331.03998	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1577932"	347.01392	"C10470"	"Isoferulic acid"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"808298"	314.079	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M"	0
"981836"	295.06061	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"71171"	208.378724	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"510731"	313.071724	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"888532"	103.685724	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"9294"	313.071724	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"447760"	470.111224	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"825562"	156.032224	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"91023"	627.150724	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"529490"	941.229724	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"905104"	313.071724	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"60943"	644.177271	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"499045"	958.256271	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"877937"	330.098271	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"38188"	649.132666	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"483219"	963.211666	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"856644"	335.053666	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1627272"	335.053666	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"107080"	331.060063	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"549616"	488.099563	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"939435"	174.020563	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"282212"	663.127402	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"673332"	977.206402	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1286465"	349.048402	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"27562"	665.106606	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"466760"	979.185606	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"842376"	351.027606	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1566956"	351.027606	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"950466"	359.077194	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"366494"	673.156201	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"353658"	687.171851	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1503586"	373.092851	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"970762"	381.059151	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"121860"	349.048402	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"563608"	506.087902	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1034596"	192.008902	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1254542"	392.997885	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1317720"	395.053872	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1333760"	417.035829	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"925546"	427.064586	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1301890"	463.041264	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1380410"	279.066324	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1392443"	297.0763	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"294318"	629.165276	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"688928"	943.244276	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1364912"	315.086276	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H"	1.007276
"135979"	315.086276	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"574444"	472.125776	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1043244"	158.046776	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"212241"	210.393276	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"649613"	315.086276	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1164460"	105.700276	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"427731"	646.191823	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"790914"	960.270823	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1687245"	332.112823	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"335522"	323.5995495	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"729039"	480.6390495	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1480672"	166.5600495	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"400448"	651.147218	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"765817"	965.226218	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1615011"	337.068218	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"320675"	326.077247	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"720877"	483.116747	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1470199"	169.037747	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1064539"	113.02759	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1269499"	347.112486	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"391112"	667.121158	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"753325"	981.200158	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1552217"	353.042158	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+K"	38.963158
"308300"	334.064217	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"701817"	491.103717	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1452358"	177.024717	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"240957"	670.191826	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1215854"	356.112826	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1199738"	178.560051	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"188713"	673.12916	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"628678"	987.20816	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1131946"	359.05016	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"177871"	337.068218	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"615608"	494.107718	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1118748"	180.028718	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1403366"	120.354904	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1430089"	361.091746	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"222020"	342.10124	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1514334"	375.14379	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"418394"	345.055188	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"776110"	502.094688	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1680347"	188.015688	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"262248"	692.173768	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1240063"	378.094768	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1720563"	378.118293	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1187010"	127.682218	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1657997"	383.073688	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"170328"	705.07704	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"608800"	1019.15604	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1096586"	390.99804	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"153404"	353.042158	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"596244"	510.081658	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1078571"	196.002658	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1110688"	393.012592	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1343791"	393.100207	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1012321"	397.139376	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1530446"	398.133008	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"993614"	199.073326	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1590302"	399.047628	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1419244"	429.079138	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1151720"	219.586601	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1702366"	446.105685	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1635830"	451.06108	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1578042"	467.03502	"C10471"	"Irisolidone"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"808408"	162.0681	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M"	0
"981946"	143.04971	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"70188"	107.038124	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"510841"	161.060824	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"887549"	53.015424	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"9404"	161.060824	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"446777"	242.094874	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"823486"	80.026774	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"90039"	323.128924	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"530693"	485.197024	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"906307"	161.060824	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"61293"	340.155471	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"500613"	502.223571	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"876954"	178.087371	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"38298"	345.110866	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"485879"	507.178966	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"856754"	183.042766	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1627382"	183.042766	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"106096"	179.049163	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"549404"	260.083213	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"939910"	98.015113	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"282002"	359.105602	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"674540"	521.173702	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1287668"	197.037502	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"30588"	361.084806	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"464684"	523.152906	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"843579"	199.016706	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1562692"	199.016706	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"948388"	207.066294	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"366604"	369.134401	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"357413"	383.150051	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1503694"	221.081951	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"971601"	229.048251	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"119780"	197.037502	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"564083"	278.071552	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1035799"	116.003452	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1256718"	240.986985	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1318922"	243.042972	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1334962"	265.024929	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"926992"	275.053686	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1303094"	311.030364	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1380884"	127.055424	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1394739"	145.0654	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"293334"	325.143476	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"685757"	487.211576	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1365021"	163.075376	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"136089"	163.075376	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"573461"	244.109426	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1044447"	82.041326	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"212350"	109.052676	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"645349"	163.075376	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1170037"	55.029976	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"425776"	342.170023	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"792118"	504.238123	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1687356"	180.101923	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"333444"	171.5886495	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"730242"	252.6226995	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1482239"	90.5545995	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"408096"	347.125418	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"764835"	509.193518	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1617311"	185.057318	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"329414"	174.066347	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"722447"	255.100397	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1475535"	93.032297	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1067566"	62.35729	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1271554"	195.101586	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"392603"	363.099358	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"753553"	525.167458	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1550141"	201.031258	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"308410"	182.053317	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"698645"	263.087367	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1454654"	101.019267	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"241066"	366.170026	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1214870"	204.101926	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1200940"	102.554601	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"189315"	369.10736	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"628642"	531.17546	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1133963"	207.03926	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"182355"	185.057318	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"618634"	266.091368	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1118858"	104.023268	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1400196"	69.684604	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1432677"	209.080846	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"223102"	190.09034	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1516631"	223.13289	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"417411"	193.044288	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"776220"	274.078338	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1680215"	112.010238	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"264180"	388.151968	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1240742"	226.083868	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1725046"	226.107393	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1187120"	77.011918	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1659200"	231.062788	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"171531"	401.05524	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"609637"	563.12334	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1092323"	238.98714	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"151327"	201.031258	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"594167"	282.065308	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1081596"	119.997208	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1106423"	241.001692	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1344994"	241.089307	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1010245"	245.128476	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1530556"	246.122108	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"993724"	123.067876	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1588347"	247.036728	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1420447"	277.068238	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1151830"	143.581151	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1702476"	294.094785	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1635940"	299.05018	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1578152"	315.02412	"C10472"	"Isosafrole"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"808518"	814.2895	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M"	0
"982056"	795.27111	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-H2O-H"	-19.01839
"71391"	541.852390666667	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M-3H"	-3.021828
"514231"	813.282224	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M-3H"	-3.021828
"892033"	270.422557333333	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-3H"	-3.021828
"14860"	813.282224	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M-2H"	-2.014552
"452354"	1220.426974	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M-2H"	-2.014552
"825781"	406.137474	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-2H"	-2.014552
"87961"	1627.571724	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M-H"	-1.007276
"528615"	2441.861224	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M-H"	-1.007276
"899856"	813.282224	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-H"	-1.007276
"62334"	1644.598271	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M-2H+NH4"	16.019271
"502428"	2458.887771	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M-2H+NH4"	16.019271
"879210"	830.308771	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-2H+NH4"	16.019271
"44964"	1649.553666	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M-2H+Na"	20.974666
"481245"	2463.843166	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M-2H+Na"	20.974666
"856859"	835.264166	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-2H+Na"	20.974666
"1630769"	835.264166	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Na-2H"	20.974666
"101829"	831.270563	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M-H+Cl"	33.962126
"549666"	1238.415313	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M-H+Cl"	33.962126
"939656"	424.125813	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-H+Cl"	33.962126
"282470"	1663.548402	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+Cl"	34.969402
"674645"	2477.837902	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+Cl"	34.969402
"1288144"	849.258902	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Cl"	34.969402
"31147"	1665.527606	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M-2H+K"	36.948606
"464794"	2479.817106	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M-2H+K"	36.948606
"843689"	851.238106	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-2H+K"	36.948606
"1563895"	851.238106	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+K-2H"	36.948606
"950684"	859.287694	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-H+HCOOH"	44.998194
"367808"	1673.577201	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+HCOOH-H"	44.998201
"357888"	1687.592851	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+Hac-H"	59.013851
"1503804"	873.303351	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Hac-H"	59.013851
"970617"	881.269651	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-H+NaCOOH"	66.980151
"119160"	849.258902	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+2Cl"	69.938804
"559817"	1256.403652	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+2Cl"	69.938804
"1035544"	442.114152	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2Cl"	69.938804
"1255123"	893.208385	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Br"	78.918885
"1316844"	895.264372	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Cl+HCOOH"	80.974872
"1329238"	917.246329	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Cl+NaCOOH"	102.956829
"926494"	927.275086	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M-H+CF3COOH"	112.985586
"1303201"	963.251764	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Cl+CF3COOH"	148.962264
"1381359"	779.276824	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H-2H2O"	-35.012676
"1392660"	797.2868	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H-H2O"	-17.0027
"290162"	1629.586276	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+H"	1.007276
"686958"	2443.875776	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+H"	1.007276
"1363306"	815.296776	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H"	1.007276
"139842"	815.296776	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+2H"	2.014552
"573572"	1222.441526	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+2H"	2.014552
"1044557"	408.152026	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2H"	2.014552
"212460"	543.866942666667	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+3H"	3.021828
"648740"	815.296776	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+3H"	3.021828
"1167959"	272.437109333333	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+3H"	3.021828
"431232"	1646.612823	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+NH4"	18.033823
"788948"	2460.902323	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+NH4"	18.033823
"1684186"	832.323323	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+NH4"	18.033823
"332462"	823.8100495	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+H+NH4"	19.041099
"729259"	1230.9547995	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+H+NH4"	19.041099
"1481256"	416.6652995	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H+NH4"	19.041099
"408250"	1651.568218	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+Na"	22.989218
"769564"	2465.857718	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+Na"	22.989218
"1617987"	837.278718	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Na"	22.989218
"326728"	826.287747	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+H+Na"	23.996494
"722677"	1233.432497	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+H+Na"	23.996494
"1474794"	419.142997	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H+Na"	23.996494
"1067069"	279.764423333333	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2H+Na"	25.00377
"1270812"	847.322986	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+CH3OH+H"	33.033486
"392798"	1667.542158	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+K"	38.963158
"752570"	2481.831658	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+K"	38.963158
"1549157"	853.252658	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+K"	38.963158
"306334"	834.274717	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+H+K"	39.970434
"699847"	1241.419467	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+H+K"	39.970434
"1453670"	427.129967	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H+K"	39.970434
"242270"	1670.612826	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+ACN+H"	42.033826
"1210970"	856.323326	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+ACN+H"	42.033826
"1197770"	428.665301	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+ACN+2H"	43.041102
"189668"	1673.55016	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+2Na-H"	44.97116
"629958"	2487.83966	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+2Na-H"	44.97116
"1132369"	859.26066	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2Na-H"	44.97116
"178091"	837.278718	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+2Na"	45.978436
"618378"	1244.423468	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+2Na"	45.978436
"1117387"	430.133968	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2Na"	45.978436
"1402127"	287.091737333333	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H+2Na"	46.985712
"1432057"	861.302246	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H+HCOOH"	47.012746
"223212"	842.31174	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+3H2O+2H"	56.04448
"1514554"	875.35429	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+IsoProp+H"	61.06479
"412053"	845.265688	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+Na+K"	61.952376
"776330"	1252.410438	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+Na+K"	61.952376
"1678500"	438.120938	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Na+K"	61.952376
"264655"	1692.594768	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+ACN+Na"	64.015768
"1240652"	878.305268	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+ACN+Na"	64.015768
"1721876"	878.328793	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+NH4+HCOOH"	64.039293
"1187230"	294.419051333333	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+3Na"	68.967654
"1661494"	883.284188	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Na+HCOOH"	68.994688
"171641"	1705.49804	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+2K-H"	76.91904
"610839"	2519.78754	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+2K-H"	76.91904
"1097900"	891.20854	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2K-H"	76.91904
"153624"	853.252658	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"2M+2K"	77.926316
"594277"	1260.397408	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"3M+2K"	77.926316
"1082070"	446.107908	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2K"	77.926316
"1109814"	893.223092	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2K+H"	78.933592
"1341824"	893.310707	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+DMSO+H"	79.021207
"1007317"	897.349876	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2ACN+H"	83.060376
"1528479"	898.343508	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+IsoProp+Na+H"	84.054008
"991647"	449.178576	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+2ACN+2H"	84.067652
"1590522"	899.258128	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+K+HCOOH"	84.968628
"1420557"	929.289638	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+H+CF3COOH"	115.000138
"1153033"	469.691851	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+3ACN+2H"	125.094202
"1702586"	946.316185	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+NH4+CF3COOH"	132.026685
"1636050"	951.27158	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+Na+CF3COOH"	136.98208
"1578262"	967.24552	"C10473"	"Jionoside B1"	"C37H50O20"	"814.2895"	"M+K+CF3COOH"	152.95602
"814097"	442.1839	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M"	0
"982166"	423.16551	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-H2O-H"	-19.01839
"70408"	293.781990666667	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M-3H"	-3.021828
"514342"	441.176624	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M-3H"	-3.021828
"891050"	146.387357333333	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-3H"	-3.021828
"12541"	441.176624	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M-2H"	-2.014552
"450278"	662.268574	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M-2H"	-2.014552
"825891"	220.084674	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-2H"	-2.014552
"84791"	883.360524	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M-H"	-1.007276
"528725"	1325.544424	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M-H"	-1.007276
"899966"	441.176624	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-H"	-1.007276
"48507"	900.387071	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M-2H+NH4"	16.019271
"489527"	1342.570971	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M-2H+NH4"	16.019271
"872797"	458.203171	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-2H+NH4"	16.019271
"42886"	905.342466	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M-2H+Na"	20.974666
"479168"	1347.526366	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M-2H+Na"	20.974666
"856969"	463.158566	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-2H+Na"	20.974666
"1631973"	463.158566	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Na-2H"	20.974666
"104126"	459.164963	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M-H+Cl"	33.962126
"549741"	680.256913	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M-H+Cl"	33.962126
"941587"	238.073013	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-H+Cl"	33.962126
"282832"	919.337202	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+Cl"	34.969402
"675637"	1361.521102	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+Cl"	34.969402
"1288371"	477.153302	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Cl"	34.969402
"31395"	921.316406	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M-2H+K"	36.948606
"464904"	1363.500306	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M-2H+K"	36.948606
"842705"	479.132506	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-2H+K"	36.948606
"1569109"	479.132506	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+K-2H"	36.948606
"951524"	487.182094	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-H+HCOOH"	44.998194
"372657"	929.366001	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+HCOOH-H"	44.998201
"351801"	943.381651	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+Hac-H"	59.013851
"1497716"	501.197751	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Hac-H"	59.013851
"971092"	509.164051	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-H+NaCOOH"	66.980151
"121824"	477.153302	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+2Cl"	69.938804
"562479"	698.245252	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+2Cl"	69.938804
"1034564"	256.061352	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2Cl"	69.938804
"1254506"	521.102785	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Br"	78.918885
"1316955"	523.158772	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Cl+HCOOH"	80.974872
"1335060"	545.140729	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Cl+NaCOOH"	102.956829
"926485"	555.169486	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M-H+CF3COOH"	112.985586
"1303676"	591.146164	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Cl+CF3COOH"	148.962264
"1382693"	407.171224	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H-2H2O"	-35.012676
"1396050"	425.1812	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H-H2O"	-17.0027
"294647"	885.375076	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+H"	1.007276
"689257"	1327.558976	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+H"	1.007276
"1365241"	443.191176	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H"	1.007276
"139952"	443.191176	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+2H"	2.014552
"574775"	664.283126	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+2H"	2.014552
"1043573"	222.099226	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2H"	2.014552
"213663"	295.796542666667	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+3H"	3.021828
"649944"	443.191176	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+3H"	3.021828
"1172443"	148.401909333333	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+3H"	3.021828
"430249"	902.401623	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+NH4"	18.033823
"786384"	1344.585523	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+NH4"	18.033823
"1683931"	460.217723	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+NH4"	18.033823
"335854"	451.7044495	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+H+NH4"	19.041099
"729369"	672.7963995	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+H+NH4"	19.041099
"1481366"	230.6124995	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H+NH4"	19.041099
"408074"	907.357018	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+Na"	22.989218
"769634"	1349.540918	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+Na"	22.989218
"1616436"	465.173118	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Na"	22.989218
"329313"	454.182147	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+H+Na"	23.996494
"721815"	675.274097	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+H+Na"	23.996494
"1474544"	233.090197	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H+Na"	23.996494
"1066692"	155.729223333333	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2H+Na"	25.00377
"1268373"	475.217386	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+CH3OH+H"	33.033486
"390591"	923.330958	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+K"	38.963158
"750494"	1365.514858	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+K"	38.963158
"1547083"	481.147058	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+K"	38.963158
"302070"	462.169117	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+H+K"	39.970434
"697769"	683.261067	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+H+K"	39.970434
"1447217"	241.077167	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H+K"	39.970434
"236912"	926.401626	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+ACN+H"	42.033826
"1212904"	484.217726	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+ACN+H"	42.033826
"1196785"	242.612501	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+ACN+2H"	43.041102
"190143"	929.33896	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+2Na-H"	44.97116
"630187"	1371.52286	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+2Na-H"	44.97116
"1133088"	487.15506	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2Na-H"	44.97116
"177106"	465.173118	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+2Na"	45.978436
"614231"	686.265068	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+2Na"	45.978436
"1117983"	244.081168	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2Na"	45.978436
"1402601"	163.056537333333	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H+2Na"	46.985712
"1432531"	489.196646	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H+HCOOH"	47.012746
"224415"	470.20614	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+3H2O+2H"	56.04448
"1510290"	503.24869	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+IsoProp+H"	61.06479
"413256"	473.160088	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+Na+K"	61.952376
"776440"	694.252038	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+Na+K"	61.952376
"1679339"	252.068138	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Na+K"	61.952376
"262577"	948.383568	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+ACN+Na"	64.015768
"1240758"	506.199668	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+ACN+Na"	64.015768
"1721986"	506.223193	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+NH4+HCOOH"	64.039293
"1190255"	170.383851333333	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+3Na"	68.967654
"1660511"	511.178588	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Na+HCOOH"	68.994688
"171996"	961.28684	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+2K-H"	76.91904
"611680"	1403.47074	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+2K-H"	76.91904
"1098010"	519.10294	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2K-H"	76.91904
"154828"	481.147058	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"2M+2K"	77.926316
"596332"	702.239008	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"3M+2K"	77.926316
"1082180"	260.055108	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2K"	77.926316
"1113203"	521.117492	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2K+H"	78.933592
"1346307"	521.205107	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+DMSO+H"	79.021207
"1008278"	525.244276	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2ACN+H"	83.060376
"1529683"	526.237908	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+IsoProp+Na+H"	84.054008
"996131"	263.125776	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+2ACN+2H"	84.067652
"1593914"	527.152528	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+K+HCOOH"	84.968628
"1420668"	557.184038	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+H+CF3COOH"	115.000138
"1156423"	283.639051	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+3ACN+2H"	125.094202
"1700509"	574.210585	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+NH4+CF3COOH"	132.026685
"1638347"	579.16598	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+Na+CF3COOH"	136.98208
"1578372"	595.13992	"C10474"	"Lusitanicoside"	"C21H30O10"	"442.1839"	"M+K+CF3COOH"	152.95602
"808738"	162.0681	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M"	0
"984463"	143.04971	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"70518"	107.038124	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"512265"	161.060824	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"888973"	53.015424	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"12651"	161.060824	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"449294"	242.094874	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"822721"	80.026774	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"81620"	323.128924	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"527742"	485.197024	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"900076"	161.060824	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"48982"	340.155471	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"489637"	502.223571	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"870720"	178.087371	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"41902"	345.110866	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"475997"	507.178966	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"850518"	183.042766	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1632448"	183.042766	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"102049"	179.049163	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"549522"	260.083213	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"942390"	98.015113	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"281713"	359.105602	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"675521"	521.173702	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1288247"	197.037502	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"31046"	361.084806	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"465014"	523.152906	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"842815"	199.016706	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1566303"	199.016706	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"954185"	207.066294	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"365843"	369.134401	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"359566"	383.150051	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1497462"	221.081951	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"969378"	229.048251	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"117195"	197.037502	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"561861"	278.071552	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1033215"	116.003452	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1254249"	240.986985	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1316335"	243.042972	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1331644"	265.024929	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"926349"	275.053686	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1302325"	311.030364	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1379391"	127.055424	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1389601"	145.0654	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"292570"	325.143476	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"684993"	487.211576	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1363528"	163.075376	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"136419"	163.075376	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"573792"	244.109426	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1042590"	82.041326	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"208306"	109.052676	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"653334"	163.075376	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1176927"	55.029976	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"433640"	342.170023	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"792447"	504.238123	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1682947"	180.101923	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"339246"	171.5886495	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"727291"	252.6226995	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1481112"	90.5545995	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"407451"	347.125418	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"769627"	509.193518	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1618006"	185.057318	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"329258"	174.066347	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"722167"	255.100397	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1475381"	93.032297	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1066073"	62.35729	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1266662"	195.101586	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"390701"	363.099358	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"749513"	525.167458	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1546100"	201.031258	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"303273"	182.053317	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"696786"	263.087367	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1448420"	101.019267	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"239209"	366.170026	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1213014"	204.101926	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1197623"	102.554601	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"191588"	369.10736	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"631150"	531.17546	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1133562"	207.03926	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"177216"	185.057318	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"615682"	266.091368	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1117364"	104.023268	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1403076"	69.684604	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1438111"	209.080846	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"224525"	190.09034	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1512587"	223.13289	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"412637"	193.044288	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"771444"	274.078338	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1678356"	112.010238	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"265240"	388.151968	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1241159"	226.083868	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1728329"	226.107393	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1193647"	77.011918	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1661717"	231.062788	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"171861"	401.05524	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"612275"	563.12334	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1095933"	238.98714	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"154938"	201.031258	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"594497"	282.065308	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1082290"	119.997208	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1111126"	241.001692	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1350306"	241.089307	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1012760"	245.128476	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1530885"	246.122108	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"998427"	123.067876	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1594024"	247.036728	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1421870"	277.068238	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1153253"	143.581151	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1702806"	294.094785	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1638457"	299.05018	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1578482"	315.02412	"C10475"	"p-Methoxycinnamaldehyde;4-Methoxycinnamaldehyde"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"808848"	206.0943	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M"	0
"981293"	187.07591	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-H2O-H"	-19.01839
"64795"	136.388924	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M-3H"	-3.021828
"510188"	205.087024	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M-3H"	-3.021828
"889083"	67.690824	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-3H"	-3.021828
"9843"	205.087024	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M-2H"	-2.014552
"449404"	308.134174	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M-2H"	-2.014552
"819551"	102.039874	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-2H"	-2.014552
"78935"	411.181324	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M-H"	-1.007276
"525665"	617.275624	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M-H"	-1.007276
"902374"	205.087024	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-H"	-1.007276
"50187"	428.207871	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M-2H+NH4"	16.019271
"490472"	634.302171	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M-2H+NH4"	16.019271
"877149"	222.113571	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-2H+NH4"	16.019271
"43107"	433.163266	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M-2H+Na"	20.974666
"481575"	639.257566	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M-2H+Na"	20.974666
"853909"	227.068966	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-2H+Na"	20.974666
"1630004"	227.068966	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Na-2H"	20.974666
"106535"	223.075363	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M-H+Cl"	33.962126
"549029"	326.122513	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M-H+Cl"	33.962126
"941817"	120.028213	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-H+Cl"	33.962126
"282194"	447.158002	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+Cl"	34.969402
"674255"	653.252302	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+Cl"	34.969402
"1287263"	241.063702	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Cl"	34.969402
"30668"	449.137206	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M-2H+K"	36.948606
"463666"	655.231506	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M-2H+K"	36.948606
"844747"	243.042906	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-2H+K"	36.948606
"1564226"	243.042906	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+K-2H"	36.948606
"951015"	251.092494	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-H+HCOOH"	44.998194
"370327"	457.186801	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+HCOOH-H"	44.998201
"354210"	471.202451	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+Hac-H"	59.013851
"1497572"	265.108151	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Hac-H"	59.013851
"964021"	273.074451	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-H+NaCOOH"	66.980151
"121314"	241.063702	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+2Cl"	69.938804
"563065"	344.110852	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+2Cl"	69.938804
"1033689"	138.016552	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2Cl"	69.938804
"1254360"	285.013185	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Br"	78.918885
"1317538"	287.069172	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Cl+HCOOH"	80.974872
"1332848"	309.051129	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Cl+NaCOOH"	102.956829
"926218"	319.079886	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M-H+CF3COOH"	112.985586
"1302800"	355.056564	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Cl+CF3COOH"	148.962264
"1382421"	171.081624	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H-2H2O"	-35.012676
"1387524"	189.0916	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H-H2O"	-17.0027
"294867"	413.195876	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+H"	1.007276
"685102"	619.290176	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+H"	1.007276
"1362544"	207.101576	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H"	1.007276
"136529"	207.101576	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+2H"	2.014552
"574993"	310.148726	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+2H"	2.014552
"1043794"	104.054426	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2H"	2.014552
"209511"	138.403476	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+3H"	3.021828
"650164"	207.101576	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+3H"	3.021828
"1171570"	69.705376	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+3H"	3.021828
"434842"	430.222423	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+NH4"	18.033823
"792557"	636.316723	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+NH4"	18.033823
"1683786"	224.128123	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+NH4"	18.033823
"337170"	215.6148495	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+H+NH4"	19.041099
"725212"	318.6619995	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+H+NH4"	19.041099
"1480127"	112.5676995	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H+NH4"	19.041099
"402091"	435.177818	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+Na"	22.989218
"768926"	641.272118	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+Na"	22.989218
"1616294"	229.083518	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Na"	22.989218
"329129"	218.092547	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+H+Na"	23.996494
"721792"	321.139697	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+H+Na"	23.996494
"1474760"	115.045397	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H+Na"	23.996494
"1064725"	77.03269	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2H+Na"	25.00377
"1270051"	239.127786	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+CH3OH+H"	33.033486
"390447"	451.151758	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+K"	38.963158
"749623"	657.246058	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+K"	38.963158
"1549490"	245.057458	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+K"	38.963158
"300832"	226.079517	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+H+K"	39.970434
"693981"	329.126667	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+H+K"	39.970434
"1449624"	123.032367	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H+K"	39.970434
"239319"	454.222426	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+ACN+H"	42.033826
"1214218"	248.128126	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+ACN+H"	42.033826
"1199193"	124.567701	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+ACN+2H"	43.041102
"191698"	457.15976	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+2Na-H"	44.97116
"630896"	663.25406	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+2Na-H"	44.97116
"1132214"	251.06546	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2Na-H"	44.97116
"178056"	229.083518	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+2Na"	45.978436
"615063"	332.130668	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+2Na"	45.978436
"1116502"	126.036368	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2Na"	45.978436
"1400999"	84.360004	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H+2Na"	46.985712
"1438221"	253.107046	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H+HCOOH"	47.012746
"222447"	234.11654	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+3H2O+2H"	56.04448
"1511238"	267.15909	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+IsoProp+H"	61.06479
"412747"	237.070488	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+Na+K"	61.952376
"771190"	340.117638	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+Na+K"	61.952376
"1679191"	134.023338	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Na+K"	61.952376
"264620"	476.204368	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+ACN+Na"	64.015768
"1240616"	270.110068	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+ACN+Na"	64.015768
"1727674"	270.133593	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+NH4+HCOOH"	64.039293
"1190841"	91.687318	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+3Na"	68.967654
"1662919"	275.088988	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Na+HCOOH"	68.994688
"170153"	489.10764	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+2K-H"	76.91904
"609713"	695.20194	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+2K-H"	76.91904
"1096043"	283.01334	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2K-H"	76.91904
"152861"	245.057458	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"2M+2K"	77.926316
"593514"	348.104608	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"3M+2K"	77.926316
"1082400"	142.010308	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2K"	77.926316
"1109049"	285.027892	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2K+H"	78.933592
"1348715"	285.115507	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+DMSO+H"	79.021207
"1015057"	289.154676	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2ACN+H"	83.060376
"1526621"	290.148308	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+IsoProp+Na+H"	84.054008
"996348"	145.080976	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+2ACN+2H"	84.067652
"1589759"	291.062928	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+K+HCOOH"	84.968628
"1418699"	321.094438	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+H+CF3COOH"	115.000138
"1154455"	165.594251	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+3ACN+2H"	125.094202
"1699635"	338.120985	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+NH4+CF3COOH"	132.026685
"1638567"	343.07638	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+Na+CF3COOH"	136.98208
"1578592"	359.05032	"C10476"	"p-Methoxycinnamic acid ethyl ester;Ethyl p-methoxycinnamate"	"C12H14O3"	"206.0943"	"M+K+CF3COOH"	152.95602
"808958"	194.0579	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M"	0
"981403"	175.03951	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"67457"	128.364657333333	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"512485"	193.050624	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"889193"	63.6786906666667	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"9953"	193.050624	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"451701"	290.079574	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"822941"	96.021674	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"81840"	387.108524	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"525775"	581.166424	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"903577"	193.050624	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"52484"	404.135071	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"493137"	598.192971	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"877501"	210.077171	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"43217"	409.090466	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"480593"	603.148366	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"854019"	215.032566	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1627927"	215.032566	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"107739"	211.038963	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"549267"	308.067913	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"942418"	114.010013	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"282434"	423.085202	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"675337"	617.143102	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1287741"	229.027302	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"29928"	425.064406	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"468149"	619.122306	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"844857"	231.006506	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1569805"	231.006506	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"947845"	239.056094	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"370438"	433.114001	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"359060"	447.129651	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1503151"	253.071751	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"967412"	261.038051	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"118506"	229.027302	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"563901"	326.056252	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1036948"	131.998352	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1256906"	272.976785	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1319799"	275.032772	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1335533"	297.014729	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"926816"	307.043486	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1303276"	343.020164	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1382167"	159.045224	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1396260"	177.0552	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"297650"	389.123076	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"691210"	583.180976	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1365814"	195.065176	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"141273"	195.065176	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"575103"	292.094126	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1050465"	98.036226	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"217275"	130.379209333333	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"657928"	195.065176	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1177147"	65.6932426666667	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"434951"	406.149623	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"790844"	600.207523	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1687177"	212.091723	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"337280"	203.5784495	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"726416"	300.6073995	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1479144"	106.5494995	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"403294"	411.105018	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"769278"	605.162918	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1616647"	217.047118	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"329115"	206.056147	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"721903"	303.085097	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1475479"	109.027197	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1066544"	73.0205566666667	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1271260"	227.091386	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"391657"	427.078958	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"753139"	621.136858	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1550330"	233.021058	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"311880"	214.043117	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"701381"	311.072067	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1455932"	117.014167	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"246720"	430.149626	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1211043"	236.091726	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1202584"	118.549501	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"191443"	433.08696	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"629302"	627.14486	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1133053"	239.02906	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"178166"	217.047118	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"618089"	314.076068	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1118313"	120.018168	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1402203"	80.3478706666667	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1432496"	241.070646	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"221463"	222.08014	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1510253"	255.12269	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"411398"	225.034088	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"770207"	322.063038	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1679665"	128.005138	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"263997"	452.131568	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1239270"	258.073668	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1725597"	258.097193	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1192045"	87.6751846666667	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1664002"	263.052588	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"169901"	465.03484	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"609461"	659.09274	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1096153"	270.97694	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"152607"	233.021058	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"593624"	330.050008	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1079230"	135.992108	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1109159"	272.991492	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1349553"	273.079107	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1014072"	277.118276	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1525759"	278.111908	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"997551"	139.062776	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1588897"	279.026528	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1417716"	309.058038	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1156752"	159.576051	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1703024"	326.084585	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1638677"	331.03998	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1578702"	347.01392	"C10477"	"Methyl caffeate"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"807975"	178.0994	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M"	0
"979325"	159.08101	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"66473"	117.725657333333	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"505303"	177.092124	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"888210"	58.3591906666667	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"8970"	177.092124	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"441968"	266.141824	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"817947"	88.042424	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"79519"	355.191524	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"524792"	533.290924	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"903687"	177.092124	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"49314"	372.218071	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"489967"	550.317471	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"874331"	194.118671	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"38953"	377.173466	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"478515"	555.272866	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"854129"	199.074066	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1624755"	199.074066	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"103475"	195.080463	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"548769"	284.130163	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"941435"	106.030763	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"282179"	391.168202	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"674477"	569.267602	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1287611"	213.068802	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"30522"	393.147406	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"470082"	571.246806	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"846061"	215.048006	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1570643"	215.048006	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"950142"	223.097594	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"373464"	401.197001	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"359534"	415.212651	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1501804"	237.113251	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"971169"	245.079551	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"120440"	213.068802	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"563647"	302.118502	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1036667"	124.019102	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1256808"	257.018285	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1319541"	259.074272	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1334896"	281.056229	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"926810"	291.084986	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1303749"	327.061664	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1381911"	143.086724	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1397585"	161.0967	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"298330"	357.206076	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"689697"	535.305476	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1366896"	179.106676	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"141409"	179.106676	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"578494"	268.156376	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1050575"	90.056976	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"216291"	119.740209333333	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"658038"	179.106676	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1175679"	60.3737426666667	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"433969"	374.232623	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"788401"	552.332023	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1685826"	196.133223	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"334470"	187.6199495	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"733092"	276.6696495	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1482169"	98.5702495	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"400124"	379.188018	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"768413"	557.287418	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1615420"	201.088618	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"325823"	190.097647	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"721160"	279.147347	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1472065"	101.047947	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1064216"	67.7010566666667	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1270999"	211.132886	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"391401"	395.161958	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"753368"	573.261358	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1552989"	217.062558	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"311261"	198.084617	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"698214"	287.134317	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1453127"	109.034917	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"246101"	398.232626	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1212247"	220.133226	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1202695"	110.570251	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"189851"	401.16996	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"630384"	579.26936	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1136443"	223.07056	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"179368"	201.088618	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"616741"	290.138318	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1118423"	112.038918	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1400490"	75.0283706666667	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1432606"	225.112146	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"221937"	206.12164	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1509997"	239.16419	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"410414"	209.075588	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"772504"	298.125288	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1678682"	120.025888	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"260827"	420.214568	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1238644"	242.115168	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1727164"	242.138693	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1191060"	82.3556846666667	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1662045"	247.094088	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"171101"	433.11784	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"611028"	611.21724	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1096263"	255.01844	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"154174"	217.062558	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"593734"	306.112258	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1079340"	128.012858	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1109269"	257.032992	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1344560"	257.120607	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1014182"	261.159776	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1526962"	262.153408	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"996568"	131.083526	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1590343"	263.068028	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1417826"	293.099538	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1156862"	151.596801	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1703134"	310.126085	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1638787"	315.08148	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1578812"	331.05542	"C10478"	"Methylisoeugenol;trans-Methylisoeugenol;Isomethyleugenol"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"801657"	756.2477	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M"	0
"974436"	737.22931	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-H2O-H"	-19.01839
"63139"	503.157857333333	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M-3H"	-3.021828
"507235"	755.240424	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M-3H"	-3.021828
"886133"	251.075290666667	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-3H"	-3.021828
"4706"	755.240424	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M-2H"	-2.014552
"442441"	1133.364274	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M-2H"	-2.014552
"818057"	377.116574	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-2H"	-2.014552
"81692"	1511.488124	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M-H"	-1.007276
"521618"	2267.735824	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M-H"	-1.007276
"899419"	755.240424	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-H"	-1.007276
"53064"	1528.514671	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M-2H+NH4"	16.019271
"491167"	2284.762371	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M-2H+NH4"	16.019271
"868238"	772.266971	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-2H+NH4"	16.019271
"33594"	1533.470066	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M-2H+Na"	20.974666
"474248"	2289.717766	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M-2H+Na"	20.974666
"851317"	777.222366	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-2H+Na"	20.974666
"1622676"	777.222366	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Na-2H"	20.974666
"97020"	773.228763	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M-H+Cl"	33.962126
"549847"	1151.352613	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M-H+Cl"	33.962126
"942676"	395.104913	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-H+Cl"	33.962126
"282690"	1547.464802	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+Cl"	34.969402
"675618"	2303.712502	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+Cl"	34.969402
"1288199"	791.217102	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Cl"	34.969402
"29900"	1549.444006	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M-2H+K"	36.948606
"469825"	2305.691706	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M-2H+K"	36.948606
"846896"	793.196306	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-2H+K"	36.948606
"1567832"	793.196306	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+K-2H"	36.948606
"951344"	801.245894	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-H+HCOOH"	44.998194
"368465"	1557.493601	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+HCOOH-H"	44.998201
"347245"	1571.509251	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+Hac-H"	59.013851
"1494621"	815.261551	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Hac-H"	59.013851
"966537"	823.227851	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-H+NaCOOH"	66.980151
"118727"	791.217102	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+2Cl"	69.938804
"559746"	1169.340952	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+2Cl"	69.938804
"1034013"	413.093252	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2Cl"	69.938804
"1255781"	835.166585	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Br"	78.918885
"1319814"	837.222572	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Cl+HCOOH"	80.974872
"1335124"	859.204529	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Cl+NaCOOH"	102.956829
"923505"	869.233286	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M-H+CF3COOH"	112.985586
"1303251"	905.209964	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Cl+CF3COOH"	148.962264
"1379101"	721.235024	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H-2H2O"	-35.012676
"1391137"	739.245	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H-H2O"	-17.0027
"291915"	1513.502676	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+H"	1.007276
"685432"	2269.750376	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+H"	1.007276
"1362874"	757.254976	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H"	1.007276
"132481"	757.254976	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+2H"	2.014552
"579697"	1135.378826	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+2H"	2.014552
"1049591"	379.131126	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2H"	2.014552
"207653"	505.172409333333	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+3H"	3.021828
"649400"	757.254976	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+3H"	3.021828
"1170806"	253.089842666667	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+3H"	3.021828
"426787"	1530.529223	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+NH4"	18.033823
"786322"	2286.776923	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+NH4"	18.033823
"1681923"	774.281523	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+NH4"	18.033823
"330931"	765.7682495	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+H+NH4"	19.041099
"722892"	1143.8920995	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+H+NH4"	19.041099
"1478632"	387.6443995	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H+NH4"	19.041099
"393668"	1535.484618	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+Na"	22.989218
"765604"	2291.732318	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+Na"	22.989218
"1615529"	779.236918	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Na"	22.989218
"328846"	768.245947	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+H+Na"	23.996494
"719447"	1146.369797	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+H+Na"	23.996494
"1472176"	390.122097	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H+Na"	23.996494
"1066880"	260.417156666667	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2H+Na"	25.00377
"1272573"	789.281186	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+CH3OH+H"	33.033486
"391870"	1551.458558	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+K"	38.963158
"752873"	2307.706258	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+K"	38.963158
"1553100"	795.210858	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+K"	38.963158
"311007"	776.232917	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+H+K"	39.970434
"702698"	1154.356767	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+H+K"	39.970434
"1457611"	398.109067	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H+K"	39.970434
"245118"	1554.529226	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+ACN+H"	42.033826
"1215274"	798.281526	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+ACN+H"	42.033826
"1203898"	399.644401	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+ACN+2H"	43.041102
"192757"	1557.46656	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+2Na-H"	44.97116
"632682"	2313.71426	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+2Na-H"	44.97116
"1136553"	801.21886	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2Na-H"	44.97116
"180207"	779.236918	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+2Na"	45.978436
"614664"	1157.360768	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+2Na"	45.978436
"1116708"	401.113068	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2Na"	45.978436
"1399507"	267.744470666667	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H+2Na"	46.985712
"1432716"	803.260446	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H+HCOOH"	47.012746
"222411"	784.26994	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+3H2O+2H"	56.04448
"1509014"	817.31249	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+IsoProp+H"	61.06479
"411617"	787.223888	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+Na+K"	61.952376
"772978"	1165.347738	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+Na+K"	61.952376
"1676605"	409.100038	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Na+K"	61.952376
"263124"	1576.511168	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+ACN+Na"	64.015768
"1239117"	820.263468	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+ACN+Na"	64.015768
"1719618"	820.286993	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+NH4+HCOOH"	64.039293
"1190076"	275.071784666667	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+3Na"	68.967654
"1658875"	825.242388	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Na+HCOOH"	68.994688
"171210"	1589.41444	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+2K-H"	76.91904
"611863"	2345.66214	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+2K-H"	76.91904
"1093093"	833.16674	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2K-H"	76.91904
"154284"	795.210858	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"2M+2K"	77.926316
"593844"	1173.334708	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"3M+2K"	77.926316
"1080543"	417.087008	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2K"	77.926316
"1107192"	835.181292	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2K+H"	78.933592
"1343576"	835.268907	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+DMSO+H"	79.021207
"1015386"	839.308076	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2ACN+H"	83.060376
"1528045"	840.301708	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+IsoProp+Na+H"	84.054008
"996678"	420.157676	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+2ACN+2H"	84.067652
"1588996"	841.216328	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+K+HCOOH"	84.968628
"1416842"	871.247838	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+H+CF3COOH"	115.000138
"1156972"	440.670951	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+3ACN+2H"	125.094202
"1703244"	888.274385	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+NH4+CF3COOH"	132.026685
"1638897"	893.22978	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+Na+CF3COOH"	136.98208
"1578922"	909.20372	"C10479"	"Myricoside"	"C34H44O19"	"756.2477"	"M+K+CF3COOH"	152.95602
"801793"	192.0786	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M"	0
"974587"	173.06021	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"63125"	127.045124	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"504065"	191.071324	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"884056"	63.018924	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"2628"	191.071324	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"441215"	287.110624	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"818896"	95.032024	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"80102"	383.149924	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"520631"	575.228524	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"898070"	191.071324	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"49530"	400.176471	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"491275"	592.255071	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"866892"	208.097871	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"31523"	405.131866	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"471719"	597.210466	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"849971"	213.053266	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1619504"	213.053266	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"97130"	209.059663	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"549716"	305.098963	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"942624"	113.020363	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"282642"	419.126602	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"675505"	611.205202	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1288066"	227.048002	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"31021"	421.105806	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"470298"	613.184406	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"844455"	229.027206	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1566849"	229.027206	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"951453"	237.076794	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"366389"	429.155401	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"346991"	443.171051	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1496917"	251.092451	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"962273"	259.058751	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"114462"	227.048002	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"555117"	323.087302	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1026104"	131.008702	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1245681"	270.997485	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1315785"	273.053472	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1332557"	295.035429	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"923615"	305.064186	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1300323"	341.040864	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1379211"	157.065924	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1390153"	175.0759	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"292025"	385.164476	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"685542"	577.243076	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1362984"	193.085876	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"132591"	193.085876	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"579807"	289.125176	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1049701"	97.046576	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"216512"	129.059676	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"649510"	193.085876	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1170916"	65.033476	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"426531"	402.191023	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"786107"	594.269623	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1682033"	210.112423	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"329981"	201.5991495	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"724192"	297.6384495	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1477524"	105.5598495	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"394508"	407.146418	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"763526"	599.225018	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1613814"	215.067818	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"328473"	204.076847	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"720652"	300.116147	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1474107"	108.037547	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1064435"	72.36079	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1271586"	225.112086	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"390158"	423.120358	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"753666"	615.198958	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1554304"	231.041758	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"311481"	212.063817	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"702808"	308.103117	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1457721"	116.024517	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"246321"	426.191026	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1215750"	234.112426	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1205101"	117.559851	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"192866"	429.12836	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"632792"	621.20696	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1137028"	237.04976	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"179589"	215.067818	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"614774"	311.107118	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1116697"	119.028518	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1399738"	79.688104	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1432098"	239.091346	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"220615"	220.10084	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1510218"	253.14339	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"413185"	223.054788	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"773088"	319.094088	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1674527"	127.015488	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"262141"	448.172968	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1238134"	256.094368	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1720457"	256.117893	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1187999"	87.015418	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1661171"	261.073288	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"165846"	461.07624	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"607595"	653.15484	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1093202"	268.99764	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"152205"	231.041758	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"595046"	327.081058	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1082718"	135.002458	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1112405"	271.012192	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1340406"	271.099807	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1011122"	275.138976	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1528154"	276.132608	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"994601"	138.073126	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1589105"	277.047228	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1415859"	307.078738	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1157082"	158.586401	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1702260"	324.105285	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1641194"	329.06068	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1579032"	345.03462	"C10480"	"Myristicin"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"813773"	622.1898	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M"	0
"974504"	603.17141	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-H2O-H"	-19.01839
"63397"	413.785924	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M-3H"	-3.021828
"507456"	621.182524	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M-3H"	-3.021828
"885260"	206.389324	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-3H"	-3.021828
"6020"	621.182524	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M-2H"	-2.014552
"442299"	932.277424	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M-2H"	-2.014552
"820101"	310.087624	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-2H"	-2.014552
"79719"	1243.372324	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M-H"	-1.007276
"519775"	1865.562124	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M-H"	-1.007276
"897450"	621.182524	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-H"	-1.007276
"48670"	1260.398871	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M-2H+NH4"	16.019271
"491386"	1882.588671	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M-2H+NH4"	16.019271
"865540"	638.209071	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-2H+NH4"	16.019271
"32712"	1265.354266	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M-2H+Na"	20.974666
"473376"	1887.544066	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M-2H+Na"	20.974666
"851175"	643.164466	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-2H+Na"	20.974666
"1621802"	643.164466	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Na-2H"	20.974666
"99427"	639.170863	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M-H+Cl"	33.962126
"549577"	950.265763	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M-H+Cl"	33.962126
"942526"	328.075963	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-H+Cl"	33.962126
"282583"	1279.349002	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+Cl"	34.969402
"674071"	1901.538802	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+Cl"	34.969402
"1288013"	657.159202	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Cl"	34.969402
"30123"	1281.328206	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M-2H+K"	36.948606
"470408"	1903.518006	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M-2H+K"	36.948606
"847845"	659.138406	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-2H+K"	36.948606
"1568052"	659.138406	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+K-2H"	36.948606
"951565"	667.187994	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-H+HCOOH"	44.998194
"367593"	1289.377801	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+HCOOH-H"	44.998201
"354757"	1303.393451	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+Hac-H"	59.013851
"1494841"	681.203651	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Hac-H"	59.013851
"961290"	689.169951	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-H+NaCOOH"	66.980151
"113479"	657.159202	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+2Cl"	69.938804
"556320"	968.254102	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+2Cl"	69.938804
"1026214"	346.064302	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2Cl"	69.938804
"1245791"	701.108685	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Br"	78.918885
"1315532"	703.164672	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Cl+HCOOH"	80.974872
"1334125"	725.146629	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Cl+NaCOOH"	102.956829
"923361"	735.175386	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M-H+CF3COOH"	112.985586
"1300433"	771.152064	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Cl+CF3COOH"	148.962264
"1373853"	587.177124	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H-2H2O"	-35.012676
"1393543"	605.1871	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H-H2O"	-17.0027
"293229"	1245.386876	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+H"	1.007276
"690027"	1867.576676	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+H"	1.007276
"1362001"	623.197076	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H"	1.007276
"134888"	623.197076	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+2H"	2.014552
"579917"	934.291976	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+2H"	2.014552
"1051635"	312.102176	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2H"	2.014552
"214434"	415.800476	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+3H"	3.021828
"653994"	623.197076	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+3H"	3.021828
"1173213"	208.403876	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+3H"	3.021828
"427372"	1262.413423	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+NH4"	18.033823
"788001"	1884.603223	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+NH4"	18.033823
"1687248"	640.223623	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+NH4"	18.033823
"332974"	631.7103495	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+H+NH4"	19.041099
"723571"	942.8052495	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+H+NH4"	19.041099
"1477757"	320.6154495	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H+NH4"	19.041099
"394982"	1267.368818	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+Na"	22.989218
"763636"	1889.558618	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+Na"	22.989218
"1615018"	645.179018	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Na"	22.989218
"327609"	634.188047	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+H+Na"	23.996494
"720031"	945.282947	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+H+Na"	23.996494
"1473852"	323.093147	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H+Na"	23.996494
"1065638"	215.73119	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2H+Na"	25.00377
"1270598"	655.223286	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+CH3OH+H"	33.033486
"388078"	1283.342758	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+K"	38.963158
"753088"	1905.532558	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+K"	38.963158
"1554417"	661.152958	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+K"	38.963158
"313050"	642.175017	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+H+K"	39.970434
"705834"	953.269917	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+H+K"	39.970434
"1459653"	331.080117	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H+K"	39.970434
"247524"	1286.413426	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+ACN+H"	42.033826
"1215862"	664.223626	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+ACN+H"	42.033826
"1204117"	332.615451	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+ACN+2H"	43.041102
"190790"	1289.35076	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+2Na-H"	44.97116
"631444"	1911.54056	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+2Na-H"	44.97116
"1136045"	667.16096	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2Na-H"	44.97116
"181158"	645.179018	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+2Na"	45.978436
"621811"	956.273918	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+2Na"	45.978436
"1121306"	334.084118	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2Na"	45.978436
"1402643"	223.058504	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H+2Na"	46.985712
"1434030"	669.202546	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H+HCOOH"	47.012746
"225183"	650.21204	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+3H2O+2H"	56.04448
"1513974"	683.25459	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+IsoProp+H"	61.06479
"414025"	653.165988	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+Na+K"	61.952376
"773929"	964.260888	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+Na+K"	61.952376
"1674636"	342.071088	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Na+K"	61.952376
"264437"	1308.395368	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+ACN+Na"	64.015768
"1237879"	686.205568	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+ACN+Na"	64.015768
"1724942"	686.229093	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+NH4+HCOOH"	64.039293
"1187015"	230.385818	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+3Na"	68.967654
"1660189"	691.184488	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Na+HCOOH"	68.994688
"165958"	1321.29864	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+2K-H"	76.91904
"608071"	1943.48844	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+2K-H"	76.91904
"1093312"	699.10884	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2K-H"	76.91904
"147940"	661.152958	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"2M+2K"	77.926316
"590782"	972.247858	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"3M+2K"	77.926316
"1079668"	350.058058	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2K"	77.926316
"1109598"	701.123392	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2K+H"	78.933592
"1343799"	701.211007	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+DMSO+H"	79.021207
"1005928"	705.250176	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2ACN+H"	83.060376
"1524987"	706.243808	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+IsoProp+Na+H"	84.054008
"991432"	353.128726	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+2ACN+2H"	84.067652
"1588122"	707.158428	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+K+HCOOH"	84.968628
"1415606"	737.189938	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+H+CF3COOH"	115.000138
"1148809"	373.642001	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+3ACN+2H"	125.094202
"1703465"	754.216485	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+NH4+CF3COOH"	132.026685
"1640210"	759.17188	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+Na+CF3COOH"	136.98208
"1579142"	775.14582	"C10481"	"Orobanchoside;Crenatoside"	"C29H34O15"	"622.1898"	"M+K+CF3COOH"	152.95602
"809508"	278.1882	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M"	0
"974659"	259.16981	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-H2O-H"	-19.01839
"62870"	184.451524	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M-3H"	-3.021828
"507565"	277.180924	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M-3H"	-3.021828
"888649"	91.722124	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-3H"	-3.021828
"8316"	277.180924	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M-2H"	-2.014552
"443502"	416.275024	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M-2H"	-2.014552
"821304"	138.086824	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-2H"	-2.014552
"78864"	555.369124	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M-H"	-1.007276
"520248"	833.557324	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M-H"	-1.007276
"897319"	277.180924	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-H"	-1.007276
"49021"	572.395671	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M-2H+NH4"	16.019271
"490767"	850.583871	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M-2H+NH4"	16.019271
"867838"	294.207471	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-2H+NH4"	16.019271
"36101"	577.351066	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M-2H+Na"	20.974666
"473357"	855.539266	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M-2H+Na"	20.974666
"852006"	299.162866	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-2H+Na"	20.974666
"1620088"	299.162866	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Na-2H"	20.974666
"96255"	295.169263	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M-H+Cl"	33.962126
"549442"	434.263363	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M-H+Cl"	33.962126
"941255"	156.075163	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-H+Cl"	33.962126
"282455"	591.345802	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+Cl"	34.969402
"675035"	869.534002	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+Cl"	34.969402
"1287927"	313.157602	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Cl"	34.969402
"31085"	593.325006	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M-2H+K"	36.948606
"469059"	871.513206	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M-2H+K"	36.948606
"847711"	315.136806	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-2H+K"	36.948606
"1565975"	315.136806	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+K-2H"	36.948606
"952768"	323.186394	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-H+HCOOH"	44.998194
"369888"	601.374601	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+HCOOH-H"	44.998201
"354866"	615.390251	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+Hac-H"	59.013851
"1494948"	337.202051	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Hac-H"	59.013851
"964677"	345.168351	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-H+NaCOOH"	66.980151
"113589"	313.157602	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+2Cl"	69.938804
"556430"	452.251702	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+2Cl"	69.938804
"1029604"	174.063502	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2Cl"	69.938804
"1245901"	357.107085	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Br"	78.918885
"1312723"	359.163072	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Cl+HCOOH"	80.974872
"1334963"	381.145029	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Cl+NaCOOH"	102.956829
"924563"	391.173786	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M-H+CF3COOH"	112.985586
"1302730"	427.150464	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Cl+CF3COOH"	148.962264
"1373963"	243.175524	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H-2H2O"	-35.012676
"1389279"	261.1855	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H-H2O"	-17.0027
"288963"	557.383676	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+H"	1.007276
"685760"	835.571876	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+H"	1.007276
"1363204"	279.195476	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H"	1.007276
"139373"	279.195476	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+2H"	2.014552
"575651"	418.289576	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+2H"	2.014552
"1045545"	140.101376	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2H"	2.014552
"215636"	186.466076	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+3H"	3.021828
"656290"	279.195476	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+3H"	3.021828
"1175510"	93.736676	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+3H"	3.021828
"432221"	574.410223	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+NH4"	18.033823
"789934"	852.598423	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+NH4"	18.033823
"1686264"	296.222023	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+NH4"	18.033823
"333084"	287.7087495	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+H+NH4"	19.041099
"724777"	426.8028495	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+H+NH4"	19.041099
"1480786"	148.6146495	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H+NH4"	19.041099
"397280"	579.365618	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+Na"	22.989218
"763746"	857.553818	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+Na"	22.989218
"1615128"	301.177418	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Na"	22.989218
"329056"	290.186447	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+H+Na"	23.996494
"721724"	429.280547	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+H+Na"	23.996494
"1474328"	151.092347	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H+Na"	23.996494
"1066478"	101.06399	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2H+Na"	25.00377
"1271926"	311.221686	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+CH3OH+H"	33.033486
"388188"	595.339558	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+K"	38.963158
"752106"	873.527758	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+K"	38.963158
"1553800"	317.151358	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+K"	38.963158
"312066"	298.173417	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+H+K"	39.970434
"705216"	437.267517	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+H+K"	39.970434
"1459399"	159.079317	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H+K"	39.970434
"249093"	598.410226	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+ACN+H"	42.033826
"1217065"	320.222026	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+ACN+H"	42.033826
"1204227"	160.614651	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+ACN+2H"	43.041102
"189078"	601.34756	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+2Na-H"	44.97116
"629122"	879.53576	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+2Na-H"	44.97116
"1135425"	323.15936	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2Na-H"	44.97116
"179809"	301.177418	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+2Na"	45.978436
"622650"	440.271518	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+2Na"	45.978436
"1121052"	162.083318	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2Na"	45.978436
"1402389"	108.391304	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H+2Na"	46.985712
"1433776"	325.200946	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H+HCOOH"	47.012746
"222013"	306.21044	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+3H2O+2H"	56.04448
"1515542"	339.25299	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+IsoProp+H"	61.06479
"414135"	309.164388	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+Na+K"	61.952376
"774039"	448.258488	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+Na+K"	61.952376
"1676933"	170.070288	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Na+K"	61.952376
"263454"	620.392168	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+ACN+Na"	64.015768
"1239443"	342.203968	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+ACN+Na"	64.015768
"1726874"	342.227493	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+NH4+HCOOH"	64.039293
"1184209"	115.718618	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+3Na"	68.967654
"1661392"	347.182888	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Na+HCOOH"	68.994688
"167160"	633.29544	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+2K-H"	76.91904
"605629"	911.48364	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+2K-H"	76.91904
"1092326"	355.10724	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2K-H"	76.91904
"150236"	317.151358	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"2M+2K"	77.926316
"591984"	456.245458	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"3M+2K"	77.926316
"1078684"	178.057258	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2K"	77.926316
"1110801"	357.121792	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2K+H"	78.933592
"1347187"	357.209407	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+DMSO+H"	79.021207
"1016448"	361.248576	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2ACN+H"	83.060376
"1524974"	362.242208	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+IsoProp+Na+H"	84.054008
"989978"	181.127926	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+2ACN+2H"	84.067652
"1587296"	363.156828	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+K+HCOOH"	84.968628
"1414988"	393.188338	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+H+CF3COOH"	115.000138
"1149648"	201.641201	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+3ACN+2H"	125.094202
"1699566"	410.214885	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+NH4+CF3COOH"	132.026685
"1640320"	415.17028	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+Na+CF3COOH"	136.98208
"1579252"	431.14422	"C10482"	"6-Paradol;3-Decanone 1-(4-hydroxy-3-methoxyphenyl)-"	"C17H26O3"	"278.1882"	"M+K+CF3COOH"	152.95602
"809618"	296.0532	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M"	0
"976595"	277.03481	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-H2O-H"	-19.01839
"64837"	196.361524	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M-3H"	-3.021828
"512051"	295.045924	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M-3H"	-3.021828
"888759"	97.677124	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-3H"	-3.021828
"11706"	295.045924	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M-2H"	-2.014552
"444705"	443.072524	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M-2H"	-2.014552
"823600"	147.019324	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-2H"	-2.014552
"83591"	591.099124	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M-H"	-1.007276
"523153"	887.152324	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M-H"	-1.007276
"900954"	295.045924	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-H"	-1.007276
"50588"	608.125671	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M-2H+NH4"	16.019271
"491970"	904.178871	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M-2H+NH4"	16.019271
"868679"	312.072471	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-2H+NH4"	16.019271
"35483"	613.081066	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M-2H+Na"	20.974666
"474320"	909.134266	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M-2H+Na"	20.974666
"852118"	317.027866	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-2H+Na"	20.974666
"1621652"	317.027866	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Na-2H"	20.974666
"97459"	313.034263	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M-H+Cl"	33.962126
"549552"	461.060863	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M-H+Cl"	33.962126
"941971"	165.007663	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-H+Cl"	33.962126
"282199"	627.075802	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+Cl"	34.969402
"675263"	923.129002	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+Cl"	34.969402
"1288232"	331.022602	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Cl"	34.969402
"31150"	629.055006	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M-2H+K"	36.948606
"470262"	925.108206	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M-2H+K"	36.948606
"843693"	333.001806	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-2H+K"	36.948606
"1563898"	333.001806	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+K-2H"	36.948606
"953603"	341.051394	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-H+HCOOH"	44.998194
"371093"	637.104601	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+HCOOH-H"	44.998201
"353885"	651.120251	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+Hac-H"	59.013851
"1498341"	355.067051	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Hac-H"	59.013851
"969162"	363.033351	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-H+NaCOOH"	66.980151
"115884"	331.022602	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+2Cl"	69.938804
"556540"	479.049202	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+2Cl"	69.938804
"1026435"	182.996002	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2Cl"	69.938804
"1244918"	374.972085	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Br"	78.918885
"1312834"	377.028072	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Cl+HCOOH"	80.974872
"1331428"	399.010029	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Cl+NaCOOH"	102.956829
"924672"	409.038786	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M-H+CF3COOH"	112.985586
"1301381"	445.015464	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Cl+CF3COOH"	148.962264
"1374073"	261.040524	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H-2H2O"	-35.012676
"1391576"	279.0505	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H-H2O"	-17.0027
"287980"	593.113676	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+H"	1.007276
"690934"	889.166876	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+H"	1.007276
"1363314"	297.060476	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H"	1.007276
"139484"	297.060476	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+2H"	2.014552
"577949"	445.087076	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+2H"	2.014552
"1042375"	149.033876	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2H"	2.014552
"215746"	198.376076	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+3H"	3.021828
"654214"	297.060476	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+3H"	3.021828
"1169059"	99.691676	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+3H"	3.021828
"433425"	610.140223	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+NH4"	18.033823
"790046"	906.193423	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+NH4"	18.033823
"1683823"	314.087023	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+NH4"	18.033823
"335747"	305.5737495	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+H+NH4"	19.041099
"725982"	453.6003495	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+H+NH4"	19.041099
"1481991"	157.5471495	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H+NH4"	19.041099
"397390"	615.095618	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+Na"	22.989218
"763856"	911.148818	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+Na"	22.989218
"1615238"	319.042418	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Na"	22.989218
"329408"	308.051447	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+H+Na"	23.996494
"721833"	456.078047	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+H+Na"	23.996494
"1474438"	160.024847	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H+Na"	23.996494
"1063672"	107.01899	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2H+Na"	25.00377
"1271672"	329.086686	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+CH3OH+H"	33.033486
"388298"	631.069558	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+K"	38.963158
"753675"	927.122758	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+K"	38.963158
"1554998"	335.016358	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+K"	38.963158
"313757"	316.038417	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+H+K"	39.970434
"706747"	464.065017	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+H+K"	39.970434
"1459144"	168.011817	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H+K"	39.970434
"249568"	634.140226	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+ACN+H"	42.033826
"1219362"	338.087026	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+ACN+H"	42.033826
"1206890"	169.547151	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+ACN+2H"	43.041102
"191740"	637.07756	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+2Na-H"	44.97116
"630571"	933.13076	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+2Na-H"	44.97116
"1134441"	341.02436	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2Na-H"	44.97116
"179191"	319.042418	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+2Na"	45.978436
"622031"	467.069018	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+2Na"	45.978436
"1125537"	171.015818	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2Na"	45.978436
"1406874"	114.346304	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H+2Na"	46.985712
"1435710"	343.065946	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H+HCOOH"	47.012746
"224675"	324.07544	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+3H2O+2H"	56.04448
"1515653"	357.11799	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+IsoProp+H"	61.06479
"419712"	327.029388	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+Na+K"	61.952376
"777429"	475.055988	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+Na+K"	61.952376
"1675950"	179.002788	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Na+K"	61.952376
"264657"	656.122168	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+ACN+Na"	64.015768
"1239553"	360.068968	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+ACN+Na"	64.015768
"1724070"	360.092493	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+NH4+HCOOH"	64.039293
"1191609"	121.673618	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+3Na"	68.967654
"1662595"	365.047888	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Na+HCOOH"	68.994688
"167270"	669.02544	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+2K-H"	76.91904
"607925"	965.07864	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+2K-H"	76.91904
"1091343"	372.97224	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2K-H"	76.91904
"147066"	335.016358	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"2M+2K"	77.926316
"587720"	483.042958	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"3M+2K"	77.926316
"1073327"	186.989758	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2K"	77.926316
"1105443"	374.986792	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2K+H"	78.933592
"1342922"	375.074407	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+DMSO+H"	79.021207
"1016922"	379.113576	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2ACN+H"	83.060376
"1531767"	380.107208	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+IsoProp+Na+H"	84.054008
"990096"	190.060426	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+2ACN+2H"	84.067652
"1589438"	381.021828	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+K+HCOOH"	84.968628
"1416191"	411.053338	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+H+CF3COOH"	115.000138
"1150853"	210.573701	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+3ACN+2H"	125.094202
"1702592"	428.079885	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+NH4+CF3COOH"	132.026685
"1641524"	433.03528	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+Na+CF3COOH"	136.98208
"1582642"	449.00922	"C10483"	"Phaseolic acid"	"C13H12O8"	"296.0532"	"M+K+CF3COOH"	152.95602
"803530"	284.1049	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M"	0
"976705"	265.08651	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-H2O-H"	-19.01839
"64947"	188.395990666667	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M-3H"	-3.021828
"513255"	283.097624	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M-3H"	-3.021828
"893242"	93.6943573333333	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-3H"	-3.021828
"15096"	283.097624	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M-2H"	-2.014552
"447002"	425.150074	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M-2H"	-2.014552
"822617"	141.045174	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-2H"	-2.014552
"82607"	567.202524	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M-H"	-1.007276
"522534"	851.307424	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M-H"	-1.007276
"899971"	283.097624	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-H"	-1.007276
"49241"	584.229071	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M-2H+NH4"	16.019271
"492810"	868.333971	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M-2H+NH4"	16.019271
"866967"	300.124171	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-2H+NH4"	16.019271
"32314"	589.184466	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M-2H+Na"	20.974666
"474796"	873.289366	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M-2H+Na"	20.974666
"850041"	305.079566	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-2H+Na"	20.974666
"1619939"	305.079566	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Na-2H"	20.974666
"97568"	301.085963	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M-H+Cl"	33.962126
"548803"	443.138413	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M-H+Cl"	33.962126
"942735"	159.033513	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-H+Cl"	33.962126
"282790"	603.179202	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+Cl"	34.969402
"675245"	887.284102	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+Cl"	34.969402
"1288428"	319.074302	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Cl"	34.969402
"31386"	605.158406	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M-2H+K"	36.948606
"468187"	889.263306	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M-2H+K"	36.948606
"845988"	321.053506	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-2H+K"	36.948606
"1564008"	321.053506	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+K-2H"	36.948606
"954077"	329.103094	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-H+HCOOH"	44.998194
"372296"	613.208001	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+HCOOH-H"	44.998201
"358368"	627.223651	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+Hac-H"	59.013851
"1499545"	343.118751	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Hac-H"	59.013851
"968178"	351.085051	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-H+NaCOOH"	66.980151
"117087"	319.074302	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+2Cl"	69.938804
"556651"	461.126752	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+2Cl"	69.938804
"1026545"	177.021852	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2Cl"	69.938804
"1246121"	363.023785	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Br"	78.918885
"1315130"	365.079772	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Cl+HCOOH"	80.974872
"1332631"	387.061729	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Cl+NaCOOH"	102.956829
"924782"	397.090486	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M-H+CF3COOH"	112.985586
"1302220"	433.067164	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Cl+CF3COOH"	148.962264
"1374183"	249.092224	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H-2H2O"	-35.012676
"1387312"	267.1022	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H-H2O"	-17.0027
"292465"	569.217076	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+H"	1.007276
"687075"	853.321976	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+H"	1.007276
"1361237"	285.112176	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H"	1.007276
"138500"	285.112176	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+2H"	2.014552
"579153"	427.164626	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+2H"	2.014552
"1041026"	143.059726	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2H"	2.014552
"215854"	190.410542666667	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+3H"	3.021828
"655416"	285.112176	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+3H"	3.021828
"1169169"	95.7089093333333	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+3H"	3.021828
"430619"	586.243623	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+NH4"	18.033823
"790884"	870.348523	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+NH4"	18.033823
"1684297"	302.138723	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+NH4"	18.033823
"335128"	293.6254495	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+H+NH4"	19.041099
"727548"	435.6778995	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+H+NH4"	19.041099
"1483194"	151.5729995	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H+NH4"	19.041099
"393727"	591.199018	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+Na"	22.989218
"758497"	875.303918	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+Na"	22.989218
"1613163"	307.094118	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Na"	22.989218
"327575"	296.103147	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+H+Na"	23.996494
"720365"	438.155597	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+H+Na"	23.996494
"1475640"	154.050697	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H+Na"	23.996494
"1062689"	103.036223333333	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2H+Na"	25.00377
"1270567"	317.138386	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+CH3OH+H"	33.033486
"388409"	607.172958	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+K"	38.963158
"752690"	891.277858	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+K"	38.963158
"1554743"	323.068058	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+K"	38.963158
"314155"	304.090117	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+H+K"	39.970434
"707007"	446.142567	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+H+K"	39.970434
"1460348"	162.037667	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H+K"	39.970434
"248949"	610.243626	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+ACN+H"	42.033826
"1219472"	326.138726	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+ACN+H"	42.033826
"1207729"	163.573001	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+ACN+2H"	43.041102
"190026"	613.18096	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+2Na-H"	44.97116
"630195"	897.28586	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+2Na-H"	44.97116
"1132120"	329.07606	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2Na-H"	44.97116
"179301"	307.094118	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+2Na"	45.978436
"622141"	449.146568	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+2Na"	45.978436
"1125647"	165.041668	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2Na"	45.978436
"1410264"	110.363537333333	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H+2Na"	46.985712
"1436912"	331.117646	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H+HCOOH"	47.012746
"223328"	312.12714	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+3H2O+2H"	56.04448
"1513576"	345.16969	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+IsoProp+H"	61.06479
"414355"	315.081088	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+Na+K"	61.952376
"777539"	457.133538	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+Na+K"	61.952376
"1676060"	173.028638	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Na+K"	61.952376
"265496"	632.225568	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+ACN+Na"	64.015768
"1239662"	348.120668	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+ACN+Na"	64.015768
"1724908"	348.144193	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+NH4+HCOOH"	64.039293
"1189530"	117.690851333333	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+3Na"	68.967654
"1659425"	353.099588	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Na+HCOOH"	68.994688
"170296"	645.12884	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+2K-H"	76.91904
"609128"	929.23374	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+2K-H"	76.91904
"1096919"	361.02394	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2K-H"	76.91904
"147176"	323.068058	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"2M+2K"	77.926316
"587830"	465.120508	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"3M+2K"	77.926316
"1075623"	181.015608	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2K"	77.926316
"1104459"	363.038492	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2K+H"	78.933592
"1344123"	363.126107	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+DMSO+H"	79.021207
"1017030"	367.165276	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2ACN+H"	83.060376
"1532970"	368.158908	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+IsoProp+Na+H"	84.054008
"998323"	184.086276	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+2ACN+2H"	84.067652
"1588454"	369.073528	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+K+HCOOH"	84.968628
"1417394"	399.105038	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+H+CF3COOH"	115.000138
"1152056"	204.599551	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+3ACN+2H"	125.094202
"1702702"	416.131585	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+NH4+CF3COOH"	132.026685
"1644914"	421.08698	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+Na+CF3COOH"	136.98208
"1579472"	437.06092	"C10484"	"Phenethyl caffeate;Caffeic acid phenethyl ester"	"C17H16O4"	"284.1049"	"M+K+CF3COOH"	152.95602
"804370"	640.2003	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M"	0
"977908"	621.18191	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-H2O-H"	-19.01839
"66150"	425.792924	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M-3H"	-3.021828
"517375"	639.193024	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M-3H"	-3.021828
"893352"	212.392824	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-3H"	-3.021828
"14847"	639.193024	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M-2H"	-2.014552
"449299"	959.293174	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M-2H"	-2.014552
"823820"	319.092874	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-2H"	-2.014552
"83446"	1279.393324	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M-H"	-1.007276
"526655"	1919.593624	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M-H"	-1.007276
"901173"	639.193024	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-H"	-1.007276
"51538"	1296.419871	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M-2H+NH4"	16.019271
"490004"	1936.620171	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M-2H+NH4"	16.019271
"865983"	656.219571	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-2H+NH4"	16.019271
"33272"	1301.375266	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M-2H+Na"	20.974666
"473440"	1941.575566	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M-2H+Na"	20.974666
"851243"	661.174966	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-2H+Na"	20.974666
"1619685"	661.174966	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Na-2H"	20.974666
"98772"	657.181363	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M-H+Cl"	33.962126
"548913"	977.281513	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M-H+Cl"	33.962126
"942433"	337.081213	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-H+Cl"	33.962126
"282327"	1315.370002	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+Cl"	34.969402
"675478"	1955.570302	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+Cl"	34.969402
"1287397"	675.169702	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Cl"	34.969402
"30683"	1317.349206	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M-2H+K"	36.948606
"468296"	1957.549506	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M-2H+K"	36.948606
"845006"	677.148906	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-2H+K"	36.948606
"1569585"	677.148906	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+K-2H"	36.948606
"955281"	685.198494	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-H+HCOOH"	44.998194
"373499"	1325.398801	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+HCOOH-H"	44.998201
"359569"	1339.414451	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+Hac-H"	59.013851
"1500748"	699.214151	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Hac-H"	59.013851
"966102"	707.180451	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-H+NaCOOH"	66.980151
"116104"	675.169702	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+2Cl"	69.938804
"557854"	995.269852	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+2Cl"	69.938804
"1027748"	355.069552	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2Cl"	69.938804
"1244044"	719.119185	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Br"	78.918885
"1313054"	721.175172	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Cl+HCOOH"	80.974872
"1332741"	743.157129	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Cl+NaCOOH"	102.956829
"924892"	753.185886	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M-H+CF3COOH"	112.985586
"1301601"	789.162564	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Cl+CF3COOH"	148.962264
"1374293"	605.187624	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H-2H2O"	-35.012676
"1392889"	623.1976	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H-H2O"	-17.0027
"292576"	1281.407876	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+H"	1.007276
"689372"	1921.608176	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+H"	1.007276
"1364628"	641.207576	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H"	1.007276
"140798"	641.207576	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+2H"	2.014552
"577076"	961.307726	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+2H"	2.014552
"1044781"	321.107426	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2H"	2.014552
"211590"	427.807476	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+3H"	3.021828
"656620"	641.207576	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+3H"	3.021828
"1172558"	214.407376	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+3H"	3.021828
"432550"	1298.434423	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+NH4"	18.033823
"790266"	1938.634723	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+NH4"	18.033823
"1681853"	658.234123	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+NH4"	18.033823
"334144"	649.7208495	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+H+NH4"	19.041099
"727294"	969.8209995	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+H+NH4"	19.041099
"1483305"	329.6206995	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H+NH4"	19.041099
"395783"	1303.389818	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+Na"	22.989218
"757513"	1943.590118	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+Na"	22.989218
"1614367"	663.189518	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Na"	22.989218
"326593"	652.198547	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+H+Na"	23.996494
"720475"	972.298697	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+H+Na"	23.996494
"1475386"	332.098397	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H+Na"	23.996494
"1063892"	221.73469	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2H+Na"	25.00377
"1272134"	673.233786	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+CH3OH+H"	33.033486
"389613"	1319.363758	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+K"	38.963158
"753489"	1959.564058	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+K"	38.963158
"1555483"	679.163458	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+K"	38.963158
"314062"	660.185517	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+H+K"	39.970434
"707083"	980.285667	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+H+K"	39.970434
"1460581"	340.085367	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H+K"	39.970434
"247601"	1322.434426	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+ACN+H"	42.033826
"1221405"	682.234126	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+ACN+H"	42.033826
"1205651"	341.620701	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+ACN+2H"	43.041102
"190868"	1325.37176	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+2Na-H"	44.97116
"631156"	1965.57206	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+2Na-H"	44.97116
"1132959"	685.17146	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2Na-H"	44.97116
"179411"	663.189518	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+2Na"	45.978436
"620064"	983.289668	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+2Na"	45.978436
"1125757"	343.089368	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2Na"	45.978436
"1410374"	229.062004	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H+2Na"	46.985712
"1438116"	687.213046	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H+HCOOH"	47.012746
"224531"	668.22254	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+3H2O+2H"	56.04448
"1514779"	701.26509	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+IsoProp+H"	61.06479
"416652"	671.176488	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+Na+K"	61.952376
"776556"	991.276638	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+Na+K"	61.952376
"1677263"	351.076338	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Na+K"	61.952376
"266335"	1344.416368	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+ACN+Na"	64.015768
"1239772"	704.216068	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+ACN+Na"	64.015768
"1726476"	704.239593	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+NH4+HCOOH"	64.039293
"1185268"	236.389318	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+3Na"	68.967654
"1656255"	709.194988	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Na+HCOOH"	68.994688
"167490"	1357.31964	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+2K-H"	76.91904
"609237"	1997.51994	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+2K-H"	76.91904
"1095935"	717.11934	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2K-H"	76.91904
"149470"	679.163458	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"2M+2K"	77.926316
"589032"	999.263608	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"3M+2K"	77.926316
"1075733"	359.063308	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2K"	77.926316
"1104569"	719.133892	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2K+H"	78.933592
"1340953"	719.221507	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+DMSO+H"	79.021207
"1017871"	723.260676	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2ACN+H"	83.060376
"1533080"	724.254308	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+IsoProp+Na+H"	84.054008
"998434"	362.133976	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+2ACN+2H"	84.067652
"1589657"	725.168928	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+K+HCOOH"	84.968628
"1418598"	755.200438	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+H+CF3COOH"	115.000138
"1149979"	382.647251	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+3ACN+2H"	125.094202
"1702812"	772.226985	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+NH4+CF3COOH"	132.026685
"1645024"	777.18238	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+Na+CF3COOH"	136.98208
"1582862"	793.15632	"C10485"	"Plantamajoside"	"C29H36O16"	"640.2003"	"M+K+CF3COOH"	152.95602
"803387"	354.1103	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M"	0
"980205"	335.09191	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-H2O-H"	-19.01839
"66261"	235.066257333333	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M-3H"	-3.021828
"516028"	353.103024	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M-3H"	-3.021828
"891277"	117.029490666667	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-3H"	-3.021828
"13621"	353.103024	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M-2H"	-2.014552
"446129"	530.158174	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M-2H"	-2.014552
"821744"	176.047874	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-2H"	-2.014552
"81735"	707.213324	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M-H"	-1.007276
"526765"	1061.323624	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M-H"	-1.007276
"900190"	353.103024	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-H"	-1.007276
"49219"	724.239871	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M-2H+NH4"	16.019271
"488657"	1078.350171	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M-2H+NH4"	16.019271
"865726"	370.129571	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-2H+NH4"	16.019271
"33988"	729.195266	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M-2H+Na"	20.974666
"472943"	1083.305566	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M-2H+Na"	20.974666
"849774"	375.084966	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-2H+Na"	20.974666
"1619064"	375.084966	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Na-2H"	20.974666
"98882"	371.091363	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M-H+Cl"	33.962126
"546470"	548.146513	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M-H+Cl"	33.962126
"942180"	194.036213	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-H+Cl"	33.962126
"281223"	743.190002	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+Cl"	34.969402
"674253"	1097.300302	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+Cl"	34.969402
"1288036"	389.079702	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Cl"	34.969402
"30549"	745.169206	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M-2H+K"	36.948606
"467313"	1099.279506	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M-2H+K"	36.948606
"845844"	391.058906	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-2H+K"	36.948606
"1565323"	391.058906	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+K-2H"	36.948606
"953205"	399.108494	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-H+HCOOH"	44.998194
"373609"	753.218801	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+HCOOH-H"	44.998201
"358585"	767.234451	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+Hac-H"	59.013851
"1500858"	413.124151	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Hac-H"	59.013851
"966212"	421.090451	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-H+NaCOOH"	66.980151
"116214"	389.079702	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+2Cl"	69.938804
"556870"	566.134852	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+2Cl"	69.938804
"1027858"	212.024552	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2Cl"	69.938804
"1246341"	433.029185	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Br"	78.918885
"1309883"	435.085172	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Cl+HCOOH"	80.974872
"1334433"	457.067129	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Cl+NaCOOH"	102.956829
"925002"	467.095886	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M-H+CF3COOH"	112.985586
"1301711"	503.072564	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Cl+CF3COOH"	148.962264
"1374403"	319.097624	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H-2H2O"	-35.012676
"1391906"	337.1076	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H-H2O"	-17.0027
"287219"	709.227876	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+H"	1.007276
"686202"	1063.338176	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+H"	1.007276
"1361458"	355.117576	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H"	1.007276
"138722"	355.117576	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+2H"	2.014552
"572812"	532.172726	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+2H"	2.014552
"1041975"	178.062426	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2H"	2.014552
"208053"	237.080809333333	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+3H"	3.021828
"651262"	355.117576	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+3H"	3.021828
"1170481"	119.044042666667	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+3H"	3.021828
"426464"	726.254423	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+NH4"	18.033823
"790376"	1080.364723	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+NH4"	18.033823
"1681505"	372.144123	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+NH4"	18.033823
"330607"	363.6308495	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+H+NH4"	19.041099
"726676"	540.6859995	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+H+NH4"	19.041099
"1482322"	186.5756995	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H+NH4"	19.041099
"395165"	731.209818	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+Na"	22.989218
"757624"	1085.320118	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+Na"	22.989218
"1615570"	377.099518	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Na"	22.989218
"327069"	366.108547	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+H+Na"	23.996494
"718764"	543.163697	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+H+Na"	23.996494
"1473676"	189.053397	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H+Na"	23.996494
"1064732"	126.371356666667	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2H+Na"	25.00377
"1269331"	387.143786	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+CH3OH+H"	33.033486
"388995"	747.183758	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+K"	38.963158
"752545"	1101.294058	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+K"	38.963158
"1555453"	393.073458	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+K"	38.963158
"313806"	374.095517	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+H+K"	39.970434
"706590"	551.150667	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+H+K"	39.970434
"1459840"	197.040367	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H+K"	39.970434
"246617"	750.254426	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+ACN+H"	42.033826
"1218599"	396.144126	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+ACN+H"	42.033826
"1202481"	198.575701	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+ACN+2H"	43.041102
"190250"	753.19176	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+2Na-H"	44.97116
"629809"	1107.30206	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+2Na-H"	44.97116
"1132218"	399.08146	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2Na-H"	44.97116
"181708"	377.099518	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+2Na"	45.978436
"622361"	554.154668	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+2Na"	45.978436
"1125867"	200.044368	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2Na"	45.978436
"1409390"	133.698670666667	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H+2Na"	46.985712
"1439319"	401.123046	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H+HCOOH"	47.012746
"224641"	382.13254	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+3H2O+2H"	56.04448
"1514889"	415.17509	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+IsoProp+H"	61.06479
"416762"	385.086488	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+Na+K"	61.952376
"774479"	562.141638	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+Na+K"	61.952376
"1677009"	208.031338	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Na+K"	61.952376
"264623"	772.236368	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+ACN+Na"	64.015768
"1236603"	418.126068	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+ACN+Na"	64.015768
"1724397"	418.149593	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+NH4+HCOOH"	64.039293
"1183191"	141.025984666667	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+3Na"	68.967654
"1654175"	423.104988	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Na+HCOOH"	68.994688
"162132"	785.13964	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+2K-H"	76.91904
"607158"	1139.24994	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+2K-H"	76.91904
"1092764"	431.02934	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2K-H"	76.91904
"146663"	393.073458	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"2M+2K"	77.926316
"591329"	570.128608	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"3M+2K"	77.926316
"1075842"	216.018308	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2K"	77.926316
"1110146"	433.043892	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2K+H"	78.933592
"1343250"	433.131507	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+DMSO+H"	79.021207
"1017617"	437.170676	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2ACN+H"	83.060376
"1534649"	438.164308	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+IsoProp+Na+H"	84.054008
"999637"	219.088976	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+2ACN+2H"	84.067652
"1588674"	439.078928	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+K+HCOOH"	84.968628
"1418707"	469.110438	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+H+CF3COOH"	115.000138
"1154463"	239.602251	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+3ACN+2H"	125.094202
"1702922"	486.136985	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+NH4+CF3COOH"	132.026685
"1641854"	491.09238	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+Na+CF3COOH"	136.98208
"1582972"	507.06632	"C10486"	"Licoisoflavone A;2457-Tetrahydroxy-3-(33-dimethylallyl)isoflavone"	"C20H18O6"	"354.1103"	"M+K+CF3COOH"	152.95602
"802402"	248.1049	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M"	0
"984690"	229.08651	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-H2O-H"	-19.01839
"71838"	164.395990666667	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M-3H"	-3.021828
"517596"	247.097624	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M-3H"	-3.021828
"892479"	81.6943573333333	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-3H"	-3.021828
"12146"	247.097624	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M-2H"	-2.014552
"447332"	371.150074	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M-2H"	-2.014552
"825134"	123.045174	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-2H"	-2.014552
"81116"	495.202524	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M-H"	-1.007276
"526875"	743.307424	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M-H"	-1.007276
"900300"	247.097624	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-H"	-1.007276
"49207"	512.229071	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M-2H+NH4"	16.019271
"488521"	760.333971	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M-2H+NH4"	16.019271
"866199"	264.124171	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-2H+NH4"	16.019271
"34098"	517.184466	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M-2H+Na"	20.974666
"473661"	765.289366	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M-2H+Na"	20.974666
"851828"	269.079566	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-2H+Na"	20.974666
"1619542"	269.079566	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Na-2H"	20.974666
"98992"	265.085963	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M-H+Cl"	33.962126
"548525"	389.138413	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M-H+Cl"	33.962126
"942172"	141.033513	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-H+Cl"	33.962126
"282432"	531.179202	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+Cl"	34.969402
"675339"	779.284102	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+Cl"	34.969402
"1288348"	283.074302	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Cl"	34.969402
"31297"	533.158406	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M-2H+K"	36.948606
"469608"	781.263306	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M-2H+K"	36.948606
"847169"	285.053506	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-2H+K"	36.948606
"1567619"	285.053506	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+K-2H"	36.948606
"953680"	293.103094	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-H+HCOOH"	44.998194
"372262"	541.208001	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+HCOOH-H"	44.998201
"356143"	555.223651	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+Hac-H"	59.013851
"1500970"	307.118751	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Hac-H"	59.013851
"965229"	315.085051	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-H+NaCOOH"	66.980151
"116324"	283.074302	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+2Cl"	69.938804
"559167"	407.126752	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+2Cl"	69.938804
"1031248"	159.021852	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2Cl"	69.938804
"1245722"	327.023785	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Br"	78.918885
"1308900"	329.079772	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Cl+HCOOH"	80.974872
"1334905"	351.061729	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Cl+NaCOOH"	102.956829
"925112"	361.090486	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M-H+CF3COOH"	112.985586
"1300728"	397.067164	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Cl+CF3COOH"	148.962264
"1374513"	213.092224	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H-2H2O"	-35.012676
"1394203"	231.1022	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H-H2O"	-17.0027
"294983"	497.217076	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+H"	1.007276
"686312"	745.321976	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+H"	1.007276
"1359382"	249.112176	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H"	1.007276
"137739"	249.112176	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+2H"	2.014552
"571830"	373.164626	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+2H"	2.014552
"1043908"	125.059726	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2H"	2.014552
"209622"	166.410542666667	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+3H"	3.021828
"653559"	249.112176	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+3H"	3.021828
"1165489"	83.7089093333333	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+3H"	3.021828
"427304"	514.243623	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+NH4"	18.033823
"787204"	762.348523	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+NH4"	18.033823
"1682438"	266.138723	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+NH4"	18.033823
"332905"	257.6254495	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+H+NH4"	19.041099
"724233"	381.6778995	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+H+NH4"	19.041099
"1483527"	133.5729995	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H+NH4"	19.041099
"397828"	519.199018	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+Na"	22.989218
"758827"	767.303918	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+Na"	22.989218
"1616411"	271.094118	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Na"	22.989218
"327179"	260.103147	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+H+Na"	23.996494
"720324"	384.155597	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+H+Na"	23.996494
"1473787"	136.050697	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H+Na"	23.996494
"1065936"	91.0362233333333	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2H+Na"	25.00377
"1269802"	281.138386	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+CH3OH+H"	33.033486
"387645"	535.172958	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+K"	38.963158
"753145"	783.277858	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+K"	38.963158
"1555320"	287.068058	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+K"	38.963158
"313800"	268.090117	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+H+K"	39.970434
"706497"	392.142567	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+H+K"	39.970434
"1459709"	144.037667	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H+K"	39.970434
"250133"	538.243626	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+ACN+H"	42.033826
"1221261"	290.138726	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+ACN+H"	42.033826
"1208060"	145.573001	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+ACN+2H"	43.041102
"193276"	541.18096	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+2Na-H"	44.97116
"640126"	789.28586	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+2Na-H"	44.97116
"1142905"	293.07606	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2Na-H"	44.97116
"182913"	271.094118	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+2Na"	45.978436
"626118"	395.146568	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+2Na"	45.978436
"1129623"	147.041668	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2Na"	45.978436
"1413149"	98.3635373333333	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H+2Na"	46.985712
"1444780"	295.117646	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H+HCOOH"	47.012746
"228032"	276.12714	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+3H2O+2H"	56.04448
"1514999"	309.16969	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+IsoProp+H"	61.06479
"414685"	279.081088	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+Na+K"	61.952376
"774589"	403.133538	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+Na+K"	61.952376
"1678213"	155.028638	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Na+K"	61.952376
"264734"	560.225568	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+ACN+Na"	64.015768
"1238535"	312.120668	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+ACN+Na"	64.015768
"1722320"	312.144193	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+NH4+HCOOH"	64.039293
"1185487"	105.690851333333	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+3Na"	68.967654
"1654285"	317.099588	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Na+HCOOH"	68.994688
"167709"	573.12884	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+2K-H"	76.91904
"609092"	821.23374	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+2K-H"	76.91904
"1092874"	325.02394	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2K-H"	76.91904
"145680"	287.068058	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"2M+2K"	77.926316
"591439"	411.120508	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"3M+2K"	77.926316
"1075952"	163.015608	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2K"	77.926316
"1110259"	327.038492	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2K+H"	78.933592
"1342267"	327.126107	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+DMSO+H"	79.021207
"1016633"	331.165276	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2ACN+H"	83.060376
"1537678"	332.158908	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+IsoProp+Na+H"	84.054008
"1001571"	166.086276	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+2ACN+2H"	84.067652
"1593158"	333.073528	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+K+HCOOH"	84.968628
"1421005"	363.105038	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+H+CF3COOH"	115.000138
"1153479"	186.599551	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+3ACN+2H"	125.094202
"1701939"	380.131585	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+NH4+CF3COOH"	132.026685
"1641964"	385.08698	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+Na+CF3COOH"	136.98208
"1583082"	401.06092	"C10487"	"Prenyl caffeate"	"C14H16O4"	"248.1049"	"M+K+CF3COOH"	152.95602
"802389"	786.2582	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M"	0
"983706"	767.23981	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-H2O-H"	-19.01839
"68666"	523.164857333333	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M-3H"	-3.021828
"514787"	785.250924	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M-3H"	-3.021828
"891496"	261.078790666667	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-3H"	-3.021828
"8975"	785.250924	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M-2H"	-2.014552
"446349"	1178.380024	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M-2H"	-2.014552
"820869"	392.121824	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-2H"	-2.014552
"80133"	1571.509124	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M-H"	-1.007276
"523705"	2357.767324	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M-H"	-1.007276
"898224"	785.250924	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-H"	-1.007276
"47493"	1588.535671	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M-2H+NH4"	16.019271
"488026"	2374.793871	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M-2H+NH4"	16.019271
"865336"	802.277471	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-2H+NH4"	16.019271
"32147"	1593.491066	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M-2H+Na"	20.974666
"473044"	2379.749266	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M-2H+Na"	20.974666
"850233"	807.232866	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-2H+Na"	20.974666
"1620739"	807.232866	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Na-2H"	20.974666
"101289"	803.239263	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M-H+Cl"	33.962126
"548635"	1196.368363	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M-H+Cl"	33.962126
"941674"	410.110163	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-H+Cl"	33.962126
"281813"	1607.485802	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+Cl"	34.969402
"674232"	2393.744002	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+Cl"	34.969402
"1286879"	821.227602	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Cl"	34.969402
"30407"	1609.465006	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M-2H+K"	36.948606
"468261"	2395.723206	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M-2H+K"	36.948606
"847520"	823.206806	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-2H+K"	36.948606
"1565543"	823.206806	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+K-2H"	36.948606
"954154"	831.256394	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-H+HCOOH"	44.998194
"372736"	1617.514601	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+HCOOH-H"	44.998201
"353337"	1631.530251	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+Hac-H"	59.013851
"1497800"	845.272051	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Hac-H"	59.013851
"964246"	853.238351	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-H+NaCOOH"	66.980151
"116434"	821.227602	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+2Cl"	69.938804
"559277"	1214.356702	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+2Cl"	69.938804
"1028078"	428.098502	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2Cl"	69.938804
"1245468"	865.177085	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Br"	78.918885
"1312290"	867.233072	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Cl+HCOOH"	80.974872
"1333922"	889.215029	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Cl+NaCOOH"	102.956829
"925709"	899.243786	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M-H+CF3COOH"	112.985586
"1300837"	935.220464	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Cl+CF3COOH"	148.962264
"1377903"	751.245524	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H-2H2O"	-35.012676
"1394313"	769.2555	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H-H2O"	-17.0027
"291813"	1573.523676	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+H"	1.007276
"686422"	2359.781876	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+H"	1.007276
"1357304"	787.265476	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H"	1.007276
"134568"	787.265476	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+2H"	2.014552
"570846"	1180.394576	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+2H"	2.014552
"1042195"	394.136376	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2H"	2.014552
"207179"	525.179409333333	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+3H"	3.021828
"651481"	787.265476	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+3H"	3.021828
"1164503"	263.093342666667	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+3H"	3.021828
"427775"	1590.550223	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+NH4"	18.033823
"787433"	2376.808423	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+NH4"	18.033823
"1681940"	804.292023	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+NH4"	18.033823
"331312"	795.7787495	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+H+NH4"	19.041099
"725071"	1188.9078495	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+H+NH4"	19.041099
"1481079"	402.6496495	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H+NH4"	19.041099
"395020"	1595.505618	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+Na"	22.989218
"760030"	2381.763818	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+Na"	22.989218
"1616518"	809.247418	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Na"	22.989218
"325827"	798.256447	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+H+Na"	23.996494
"716060"	1191.385547	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+H+Na"	23.996494
"1474623"	405.127347	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H+Na"	23.996494
"1065318"	270.420656666667	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2H+Na"	25.00377
"1269548"	819.291686	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+CH3OH+H"	33.033486
"388848"	1611.479558	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+K"	38.963158
"753376"	2397.737758	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+K"	38.963158
"1555269"	825.221358	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+K"	38.963158
"313827"	806.243417	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+H+K"	39.970434
"706606"	1199.372517	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+H+K"	39.970434
"1458966"	413.114317	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H+K"	39.970434
"249756"	1614.550226	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+ACN+H"	42.033826
"1219912"	828.292026	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+ACN+H"	42.033826
"1209386"	414.649651	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+ACN+2H"	43.041102
"193386"	1617.48756	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+2Na-H"	44.97116
"640600"	2403.74576	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+2Na-H"	44.97116
"1143015"	831.22936	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2Na-H"	44.97116
"187763"	809.247418	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+2Na"	45.978436
"627323"	1202.376518	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+2Na"	45.978436
"1130710"	416.118318	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2Na"	45.978436
"1413140"	277.747970666667	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H+2Na"	46.985712
"1444649"	833.270946	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H+HCOOH"	47.012746
"230329"	814.28044	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+3H2O+2H"	56.04448
"1521670"	847.32299	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+IsoProp+H"	61.06479
"412608"	817.234388	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+Na+K"	61.952376
"774699"	1210.363488	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+Na+K"	61.952376
"1678688"	424.105288	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Na+K"	61.952376
"264843"	1636.532168	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+ACN+Na"	64.015768
"1238281"	850.273968	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+ACN+Na"	64.015768
"1723888"	850.297493	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+NH4+HCOOH"	64.039293
"1185597"	285.075284666667	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+3Na"	68.967654
"1654759"	855.252888	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Na+HCOOH"	68.994688
"166725"	1649.43544	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+2K-H"	76.91904
"609933"	2435.69364	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+2K-H"	76.91904
"1092984"	863.17724	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2K-H"	76.91904
"147612"	825.221358	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"2M+2K"	77.926316
"591549"	1218.350458	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"3M+2K"	77.926316
"1071686"	432.092258	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2K"	77.926316
"1109271"	865.191792	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2K+H"	78.933592
"1342375"	865.279407	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+DMSO+H"	79.021207
"1017106"	869.318576	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2ACN+H"	83.060376
"1538152"	870.312208	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+IsoProp+Na+H"	84.054008
"1003135"	435.162926	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+2ACN+2H"	84.067652
"1597641"	871.226828	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+K+HCOOH"	84.968628
"1421114"	901.258338	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+H+CF3COOH"	115.000138
"1153589"	455.676201	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+3ACN+2H"	125.094202
"1704236"	918.284885	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+NH4+CF3COOH"	132.026685
"1642074"	923.24028	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+Na+CF3COOH"	136.98208
"1583192"	939.21422	"C10488"	"Purpureaside C"	"C35H46O20"	"786.2582"	"M+K+CF3COOH"	152.95602
"804081"	162.0681	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M"	0
"984910"	143.04971	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"75338"	107.038124	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"518344"	161.060824	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"892700"	53.015424	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"9085"	161.060824	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"449739"	242.094874	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"819886"	80.026774	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"82066"	323.128924	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"527095"	485.197024	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"897241"	161.060824	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"47235"	340.155471	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"487407"	502.223571	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"865446"	178.087371	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"31510"	345.110866	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"472544"	507.178966	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"850588"	183.042766	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1618663"	183.042766	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"102493"	179.049163	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"548745"	260.083213	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"941774"	98.015113	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"282685"	359.105602	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"675389"	521.173702	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1287964"	197.037502	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"31207"	361.084806	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"471169"	523.152906	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"848350"	199.016706	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1568569"	199.016706	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"953535"	207.066294	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"372482"	369.134401	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"356000"	383.150051	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1503378"	221.081951	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"966545"	229.048251	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"115451"	197.037502	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"559387"	278.071552	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1031468"	116.003452	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1249953"	240.986985	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1318233"	243.042972	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1333910"	265.024929	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"924605"	275.053686	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1300948"	311.030364	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1376921"	127.055424	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1385675"	145.0654	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"290829"	325.143476	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"684344"	487.211576	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1359599"	163.075376	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"128844"	163.075376	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"569134"	244.109426	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1041943"	82.041326	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"208383"	109.052676	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"650131"	163.075376	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1171902"	55.029976	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"431896"	342.170023	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"792891"	504.238123	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1682661"	180.101923	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"334949"	171.5886495	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"724207"	252.6226995	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1480094"	90.5545995	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"392851"	347.125418	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"756129"	509.193518	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1611520"	185.057318	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"319374"	174.066347	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"710699"	255.100397	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1466709"	93.032297	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1059956"	62.35729	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1270384"	195.101586	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"380209"	363.099358	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"747766"	525.167458	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1554197"	201.031258	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"311373"	182.053317	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"705985"	263.087367	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1459807"	101.019267	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"248405"	366.170026	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1218926"	204.101926	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1200622"	102.554601	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"193495"	369.10736	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"640709"	531.17546	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1142029"	207.03926	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"184224"	185.057318	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"623784"	266.091368	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1126197"	104.023268	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1413495"	69.684604	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1444756"	209.080846	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"229344"	190.09034	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1515219"	223.13289	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"417091"	193.044288	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"771890"	274.078338	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1671142"	112.010238	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"260942"	388.151968	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1238027"	226.083868	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1723633"	226.107393	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1187894"	77.011918	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1656692"	231.062788	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"169751"	401.05524	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"611135"	563.12334	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1097468"	238.98714	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"152097"	201.031258	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"595308"	282.065308	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1079450"	119.997208	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1110475"	241.001692	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1344672"	241.089307	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1018674"	245.128476	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1538991"	246.122108	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"1002152"	123.067876	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1596657"	247.036728	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1426691"	277.068238	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1154793"	143.581151	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1702159"	294.094785	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1642184"	299.05018	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1583302"	315.02412	"C10490"	"Safrole"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"801653"	448.1886	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M"	0
"977365"	429.17021	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-H2O-H"	-19.01839
"64513"	297.785124	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M-3H"	-3.021828
"512821"	447.181324	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M-3H"	-3.021828
"887342"	148.388924	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-3H"	-3.021828
"5915"	447.181324	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M-2H"	-2.014552
"443289"	671.275624	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M-2H"	-2.014552
"821090"	223.087024	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-2H"	-2.014552
"81447"	895.369924	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M-H"	-1.007276
"523924"	1343.558524	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M-H"	-1.007276
"895959"	447.181324	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-H"	-1.007276
"47148"	912.396471	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M-2H+NH4"	16.019271
"487134"	1360.585071	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M-2H+NH4"	16.019271
"864257"	464.207871	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-2H+NH4"	16.019271
"33706"	917.351866	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M-2H+Na"	20.974666
"471474"	1365.540466	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M-2H+Na"	20.974666
"848917"	469.163266	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-2H+Na"	20.974666
"1618612"	469.163266	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Na-2H"	20.974666
"95069"	465.169663	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M-H+Cl"	33.962126
"545450"	689.263963	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M-H+Cl"	33.962126
"935684"	241.075363	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-H+Cl"	33.962126
"280803"	931.346602	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+Cl"	34.969402
"669943"	1379.535202	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+Cl"	34.969402
"1286720"	483.158002	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Cl"	34.969402
"31411"	933.325806	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M-2H+K"	36.948606
"471311"	1381.514406	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M-2H+K"	36.948606
"848314"	485.137206	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-2H+K"	36.948606
"1563576"	485.137206	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+K-2H"	36.948606
"951458"	493.186794	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-H+HCOOH"	44.998194
"368580"	941.375401	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+HCOOH-H"	44.998201
"357569"	955.391051	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+Hac-H"	59.013851
"1503488"	507.202451	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Hac-H"	59.013851
"972123"	515.168751	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-H+NaCOOH"	66.980151
"113375"	483.158002	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+2Cl"	69.938804
"559494"	707.252302	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+2Cl"	69.938804
"1026108"	259.063702	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2Cl"	69.938804
"1248969"	527.107485	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Br"	78.918885
"1319436"	529.163472	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Cl+HCOOH"	80.974872
"1334017"	551.145429	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Cl+NaCOOH"	102.956829
"925078"	561.174186	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M-H+CF3COOH"	112.985586
"1301057"	597.150864	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Cl+CF3COOH"	148.962264
"1380311"	413.175924	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H-2H2O"	-35.012676
"1385785"	431.1859	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H-H2O"	-17.0027
"290939"	897.384476	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+H"	1.007276
"682267"	1345.573076	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+H"	1.007276
"1360803"	449.195876	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H"	1.007276
"130412"	449.195876	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+2H"	2.014552
"570337"	673.290176	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+2H"	2.014552
"1043146"	225.101576	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2H"	2.014552
"209222"	299.799676	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+3H"	3.021828
"650970"	449.195876	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+3H"	3.021828
"1172012"	150.403476	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+3H"	3.021828
"431277"	914.411023	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+NH4"	18.033823
"792272"	1362.599623	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+NH4"	18.033823
"1683864"	466.222423	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+NH4"	18.033823
"332507"	457.7091495	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+H+NH4"	19.041099
"724196"	681.8034495	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+H+NH4"	19.041099
"1479477"	233.6148495	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H+NH4"	19.041099
"392964"	919.366418	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+Na"	22.989218
"756601"	1367.555018	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+Na"	22.989218
"1608350"	471.177818	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Na"	22.989218
"322763"	460.186847	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+H+Na"	23.996494
"710809"	684.281147	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+H+Na"	23.996494
"1466819"	236.092547	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H+Na"	23.996494
"1060066"	157.73079	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2H+Na"	25.00377
"1265024"	481.222086	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+CH3OH+H"	33.033486
"381412"	935.340358	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+K"	38.963158
"745689"	1383.528958	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+K"	38.963158
"1554307"	487.151758	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+K"	38.963158
"310389"	468.173817	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+H+K"	39.970434
"706458"	692.268117	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+H+K"	39.970434
"1460644"	244.079517	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H+K"	39.970434
"248515"	938.411026	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+ACN+H"	42.033826
"1220129"	490.222426	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+ACN+H"	42.033826
"1204012"	245.614851	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+ACN+2H"	43.041102
"200163"	941.34836	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+2Na-H"	44.97116
"632072"	1389.53696	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+2Na-H"	44.97116
"1146147"	493.15976	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2Na-H"	44.97116
"185427"	471.177818	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+2Na"	45.978436
"623894"	695.272118	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+2Na"	45.978436
"1128494"	247.083518	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2Na"	45.978436
"1407644"	165.058104	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H+2Na"	46.985712
"1444745"	495.201346	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H+HCOOH"	47.012746
"227267"	476.21084	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+3H2O+2H"	56.04448
"1516422"	509.25339	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+IsoProp+H"	61.06479
"413921"	479.164788	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+Na+K"	61.952376
"770906"	703.259088	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+Na+K"	61.952376
"1671616"	255.070488	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Na+K"	61.952376
"255219"	960.392968	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+ACN+Na"	64.015768
"1237044"	512.204368	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+ACN+Na"	64.015768
"1723743"	512.227893	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+NH4+HCOOH"	64.039293
"1185818"	172.385418	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+3Na"	68.967654
"1652427"	517.183288	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Na+HCOOH"	68.994688
"166945"	973.29624	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+2K-H"	76.91904
"609786"	1421.48484	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+2K-H"	76.91904
"1095391"	525.10764	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2K-H"	76.91904
"153300"	487.151758	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"2M+2K"	77.926316
"593591"	711.246058	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"3M+2K"	77.926316
"1077373"	263.057458	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2K"	77.926316
"1113498"	527.122192	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2K+H"	78.933592
"1343689"	527.209807	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+DMSO+H"	79.021207
"1018784"	531.248976	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2ACN+H"	83.060376
"1535813"	532.242608	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+IsoProp+Na+H"	84.054008
"1002260"	266.128126	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+2ACN+2H"	84.067652
"1601143"	533.157228	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+K+HCOOH"	84.968628
"1427894"	563.188738	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+H+CF3COOH"	115.000138
"1157090"	286.641401	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+3ACN+2H"	125.094202
"1702269"	580.215285	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+NH4+CF3COOH"	132.026685
"1642294"	585.17068	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+Na+CF3COOH"	136.98208
"1583412"	601.14462	"C10491"	"Lonchocarpenin"	"C27H28O6"	"448.1886"	"M+K+CF3COOH"	152.95602
"801636"	494.1213	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M"	0
"977475"	475.10291	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-H2O-H"	-19.01839
"64623"	328.406924	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M-3H"	-3.021828
"510744"	493.114024	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M-3H"	-3.021828
"888545"	163.699824	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-3H"	-3.021828
"6025"	493.114024	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M-2H"	-2.014552
"443399"	740.174674	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M-2H"	-2.014552
"821200"	246.053374	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-2H"	-2.014552
"81557"	987.235324	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M-H"	-1.007276
"524398"	1481.356624	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M-H"	-1.007276
"896596"	493.114024	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-H"	-1.007276
"47450"	1004.261871	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M-2H+NH4"	16.019271
"487617"	1498.383171	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M-2H+NH4"	16.019271
"864571"	510.140571	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-2H+NH4"	16.019271
"33816"	1009.217266	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M-2H+Na"	20.974666
"472276"	1503.338566	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M-2H+Na"	20.974666
"849716"	515.095966	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-2H+Na"	20.974666
"1619613"	515.095966	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Na-2H"	20.974666
"95179"	511.102363	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M-H+Cl"	33.962126
"544832"	758.163013	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M-H+Cl"	33.962126
"936887"	264.041713	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-H+Cl"	33.962126
"278726"	1023.212002	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+Cl"	34.969402
"668960"	1517.333302	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+Cl"	34.969402
"1286345"	529.090702	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Cl"	34.969402
"31253"	1025.191206	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M-2H+K"	36.948606
"468958"	1519.312506	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M-2H+K"	36.948606
"847489"	531.069906	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-2H+K"	36.948606
"1560404"	531.069906	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+K-2H"	36.948606
"951568"	539.119494	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-H+HCOOH"	44.998194
"370512"	1033.240801	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+HCOOH-H"	44.998201
"358773"	1047.256451	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+Hac-H"	59.013851
"1500317"	553.135151	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Hac-H"	59.013851
"966765"	561.101451	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-H+NaCOOH"	66.980151
"113485"	529.090702	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+2Cl"	69.938804
"556324"	776.151352	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+2Cl"	69.938804
"1025489"	282.030052	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2Cl"	69.938804
"1245799"	573.040185	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Br"	78.918885
"1313712"	575.096172	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Cl+HCOOH"	80.974872
"1333034"	597.078129	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Cl+NaCOOH"	102.956829
"924095"	607.106886	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M-H+CF3COOH"	112.985586
"1300074"	643.083564	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Cl+CF3COOH"	148.962264
"1380057"	459.108624	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H-2H2O"	-35.012676
"1388082"	477.1186	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H-H2O"	-17.0027
"286675"	989.249876	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+H"	1.007276
"679097"	1483.371176	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+H"	1.007276
"1359819"	495.128576	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H"	1.007276
"135988"	495.128576	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+2H"	2.014552
"571176"	742.189226	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+2H"	2.014552
"1042163"	248.067926	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2H"	2.014552
"208968"	330.421476	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+3H"	3.021828
"652903"	495.128576	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+3H"	3.021828
"1171029"	165.714376	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+3H"	3.021828
"429930"	1006.276423	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+NH4"	18.033823
"791288"	1500.397723	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+NH4"	18.033823
"1683973"	512.155123	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+NH4"	18.033823
"332616"	503.6418495	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+H+NH4"	19.041099
"723576"	750.7024995	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+H+NH4"	19.041099
"1479585"	256.5811995	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H+NH4"	19.041099
"393563"	1011.231818	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+Na"	22.989218
"757438"	1505.353118	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+Na"	22.989218
"1605902"	517.110518	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Na"	22.989218
"321777"	506.119547	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+H+Na"	23.996494
"707639"	753.180197	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+H+Na"	23.996494
"1465836"	259.058897	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H+Na"	23.996494
"1059082"	173.04169	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2H+Na"	25.00377
"1261854"	527.154786	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+CH3OH+H"	33.033486
"381522"	1027.205758	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+K"	38.963158
"752727"	1521.327058	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+K"	38.963158
"1553324"	533.084458	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+K"	38.963158
"309406"	514.106517	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+H+K"	39.970434
"706810"	761.167167	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+H+K"	39.970434
"1458932"	267.045867	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H+K"	39.970434
"249232"	1030.276426	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+ACN+H"	42.033826
"1219146"	536.155126	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+ACN+H"	42.033826
"1200842"	268.581201	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+ACN+2H"	43.041102
"198086"	1033.21376	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+2Na-H"	44.97116
"631451"	1527.33506	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+2Na-H"	44.97116
"1144313"	539.09246	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2Na-H"	44.97116
"183350"	517.110518	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+2Na"	45.978436
"624004"	764.171168	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+2Na"	45.978436
"1130427"	270.049868	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2Na"	45.978436
"1407754"	180.369004	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H+2Na"	46.985712
"1444366"	541.134046	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H+HCOOH"	47.012746
"227377"	522.14354	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+3H2O+2H"	56.04448
"1515439"	555.18609	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+IsoProp+H"	61.06479
"414031"	525.097488	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+Na+K"	61.952376
"772838"	772.158138	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+Na+K"	61.952376
"1672455"	278.036838	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Na+K"	61.952376
"257515"	1052.258368	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+ACN+Na"	64.015768
"1234235"	558.137068	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+ACN+Na"	64.015768
"1720570"	558.160593	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+NH4+HCOOH"	64.039293
"1185926"	187.696318	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+3Na"	68.967654
"1652537"	563.115988	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Na+HCOOH"	68.994688
"163772"	1065.16164	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+2K-H"	76.91904
"606250"	1559.28294	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+2K-H"	76.91904
"1095502"	571.04034	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2K-H"	76.91904
"152682"	533.084458	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"2M+2K"	77.926316
"592973"	780.145108	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"3M+2K"	77.926316
"1077483"	286.023808	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2K"	77.926316
"1110692"	573.054892	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2K+H"	78.933592
"1340520"	573.142507	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+DMSO+H"	79.021207
"1019987"	577.181676	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2ACN+H"	83.060376
"1534830"	578.175308	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+IsoProp+Na+H"	84.054008
"999090"	289.094476	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+2ACN+2H"	84.067652
"1600160"	579.089928	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+K+HCOOH"	84.968628
"1428004"	609.121438	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+H+CF3COOH"	115.000138
"1157200"	309.607751	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+3ACN+2H"	125.094202
"1702379"	626.147985	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+NH4+CF3COOH"	132.026685
"1642404"	631.10338	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+Na+CF3COOH"	136.98208
"1583522"	647.07732	"C10492"	"Salvianolic acid A"	"C26H22O10"	"494.1213"	"M+K+CF3COOH"	152.95602
"804047"	192.0786	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M"	0
"977585"	173.06021	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"69105"	127.045124	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"510854"	191.071324	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"890842"	63.018924	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"6135"	191.071324	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"443509"	287.110624	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"821310"	95.032024	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"81667"	383.149924	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"523415"	575.228524	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"897570"	191.071324	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"54132"	400.176471	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"489318"	592.255071	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"866389"	208.097871	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"32824"	405.131866	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"472387"	597.210466	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"849220"	213.053266	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1619359"	213.053266	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"95289"	209.059663	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"540202"	305.098963	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"936997"	113.020363	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"275554"	419.126602	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"669070"	611.205202	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1282567"	227.048002	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"30847"	421.105806	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"469068"	613.184406	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"847597"	229.027206	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1560514"	229.027206	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"954959"	237.076794	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"374632"	429.155401	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"359248"	443.171051	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1500425"	251.092451	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"966875"	259.058751	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"119063"	227.048002	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"558621"	323.087302	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1031795"	131.008702	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1249189"	270.997485	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1313822"	273.053472	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1334602"	295.035429	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"925663"	305.064186	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1301277"	341.040864	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1380168"	157.065924	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1388192"	175.0759	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"288971"	385.164476	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"679207"	577.243076	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1357742"	193.085876	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"132818"	193.085876	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"573472"	289.125176	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1042636"	97.046576	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"210900"	129.059676	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"649367"	193.085876	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1169681"	65.033476	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"433320"	402.191023	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"792127"	594.269623	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1683719"	210.112423	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"331269"	201.5991495	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"726240"	297.6384495	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1478968"	105.5598495	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"394364"	407.146418	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"756091"	599.225018	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1604920"	215.067818	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"321887"	204.076847	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"709935"	300.116147	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1467038"	108.037547	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1060285"	72.36079	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1263058"	225.112086	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"386006"	423.120358	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"751014"	615.198958	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1551247"	231.041758	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"312436"	212.063817	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"704857"	308.103117	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1455758"	116.024517	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"247641"	426.191026	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1220351"	234.112426	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1202046"	117.559851	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"200382"	429.12836	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"634478"	621.20696	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1145273"	237.04976	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"185647"	215.067818	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"626908"	311.107118	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1129685"	119.028518	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1407864"	79.688104	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1435606"	239.091346	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"227488"	220.10084	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1514820"	253.14339	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"415235"	223.054788	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"773314"	319.094088	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1673293"	127.015488	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"258719"	448.172968	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1235075"	256.094368	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1717400"	256.117893	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1184943"	87.015418	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1652647"	261.073288	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"164977"	461.07624	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"607090"	653.15484	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1092330"	268.99764	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"152792"	231.041758	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"590895"	327.081058	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1072125"	135.002458	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1105335"	271.012192	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1343907"	271.099807	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1013534"	275.138976	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1535669"	276.132608	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"1000293"	138.073126	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1602095"	277.047228	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1424834"	307.078738	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1159494"	158.586401	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1700298"	324.105285	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1642514"	329.06068	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1583632"	345.03462	"C10493"	"Sarisan"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"801548"	276.1725	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M"	0
"980975"	257.15411	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-H2O-H"	-19.01839
"64842"	183.107724	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M-3H"	-3.021828
"510964"	275.165224	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M-3H"	-3.021828
"890952"	91.050224	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-3H"	-3.021828
"6245"	275.165224	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M-2H"	-2.014552
"443619"	413.251474	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M-2H"	-2.014552
"824700"	137.078974	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-2H"	-2.014552
"80684"	551.337724	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M-H"	-1.007276
"523525"	827.510224	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M-H"	-1.007276
"896829"	275.165224	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-H"	-1.007276
"54242"	568.364271	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M-2H+NH4"	16.019271
"488698"	844.536771	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M-2H+NH4"	16.019271
"869416"	292.191771	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-2H+NH4"	16.019271
"35128"	573.319666	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M-2H+Na"	20.974666
"482342"	849.492166	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M-2H+Na"	20.974666
"853585"	297.147166	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-2H+Na"	20.974666
"1622026"	297.147166	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Na-2H"	20.974666
"99651"	293.153563	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M-H+Cl"	33.962126
"537030"	431.239813	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M-H+Cl"	33.962126
"937107"	155.067313	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-H+Cl"	33.962126
"277851"	587.314402	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+Cl"	34.969402
"672460"	863.486902	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+Cl"	34.969402
"1287781"	311.141902	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Cl"	34.969402
"30220"	589.293606	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M-2H+K"	36.948606
"469178"	865.466106	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M-2H+K"	36.948606
"844789"	313.121106	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-2H+K"	36.948606
"1561714"	313.121106	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+K-2H"	36.948606
"951783"	321.170694	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-H+HCOOH"	44.998194
"373648"	597.343201	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+HCOOH-H"	44.998201
"357166"	611.358851	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+Hac-H"	59.013851
"1503450"	335.186351	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Hac-H"	59.013851
"963704"	343.152651	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-H+NaCOOH"	66.980151
"115892"	311.141902	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+2Cl"	69.938804
"557639"	449.228152	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+2Cl"	69.938804
"1031905"	173.055652	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2Cl"	69.938804
"1250391"	355.091385	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Br"	78.918885
"1310652"	357.147372	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Cl+HCOOH"	80.974872
"1325961"	379.129329	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Cl+NaCOOH"	102.956829
"921394"	389.158086	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M-H+CF3COOH"	112.985586
"1301383"	425.134764	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Cl+CF3COOH"	148.962264
"1379913"	241.159824	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H-2H2O"	-35.012676
"1390486"	259.1698	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H-H2O"	-17.0027
"291266"	553.352276	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+H"	1.007276
"683688"	829.524776	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+H"	1.007276
"1364411"	277.179776	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H"	1.007276
"139486"	277.179776	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+2H"	2.014552
"576862"	415.266026	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+2H"	2.014552
"1047848"	139.093526	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2H"	2.014552
"213561"	185.122276	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+3H"	3.021828
"655307"	277.179776	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+3H"	3.021828
"1172339"	93.064776	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+3H"	3.021828
"433428"	570.378823	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+NH4"	18.033823
"795518"	846.551323	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+NH4"	18.033823
"1687473"	294.206323	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+NH4"	18.033823
"335024"	285.6930495	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+H+NH4"	19.041099
"724163"	423.7792995	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+H+NH4"	19.041099
"1480171"	147.6067995	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H+NH4"	19.041099
"393260"	575.334218	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+Na"	22.989218
"755837"	851.506718	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+Na"	22.989218
"1605030"	299.161718	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Na"	22.989218
"321997"	288.170747	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+H+Na"	23.996494
"713328"	426.256997	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+H+Na"	23.996494
"1468243"	150.084497	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H+Na"	23.996494
"1064772"	100.39209	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2H+Na"	25.00377
"1263168"	309.205986	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+CH3OH+H"	33.033486
"386116"	591.308158	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+K"	38.963158
"753312"	867.480658	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+K"	38.963158
"1554273"	315.135658	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+K"	38.963158
"311455"	296.157717	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+H+K"	39.970434
"705330"	434.243967	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+H+K"	39.970434
"1456961"	158.071467	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H+K"	39.970434
"248844"	594.378826	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+ACN+H"	42.033826
"1213901"	318.206326	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+ACN+H"	42.033826
"1204342"	159.606801	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+ACN+2H"	43.041102
"201586"	597.31616	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+2Na-H"	44.97116
"635682"	873.48866	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+2Na-H"	44.97116
"1146240"	321.14366	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2Na-H"	44.97116
"186856"	299.161718	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+2Na"	45.978436
"627631"	437.247968	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+2Na"	45.978436
"1129795"	161.075468	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2Na"	45.978436
"1411254"	107.719404	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H+2Na"	46.985712
"1434987"	323.185246	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H+HCOOH"	47.012746
"225411"	304.19474	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+3H2O+2H"	56.04448
"1514566"	337.23729	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+IsoProp+H"	61.06479
"415345"	307.148688	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+Na+K"	61.952376
"775245"	445.234938	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+Na+K"	61.952376
"1670123"	169.062438	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Na+K"	61.952376
"255912"	616.360768	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+ACN+Na"	64.015768
"1229716"	340.188268	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+ACN+Na"	64.015768
"1714229"	340.211793	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+NH4+HCOOH"	64.039293
"1186147"	115.046718	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+3Na"	68.967654
"1650082"	345.167188	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Na+HCOOH"	68.994688
"160712"	629.26404	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+2K-H"	76.91904
"599179"	905.43654	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+2K-H"	76.91904
"1088065"	353.09154	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2K-H"	76.91904
"148164"	315.135658	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"2M+2K"	77.926316
"589911"	453.221908	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"3M+2K"	77.926316
"1069187"	177.049408	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2K"	77.926316
"1103258"	355.106092	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2K+H"	78.933592
"1340736"	355.193707	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+DMSO+H"	79.021207
"1013644"	359.232876	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2ACN+H"	83.060376
"1533956"	360.226508	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+IsoProp+Na+H"	84.054008
"1001497"	180.120076	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+2ACN+2H"	84.067652
"1596005"	361.141128	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+K+HCOOH"	84.968628
"1422757"	391.172638	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+H+CF3COOH"	115.000138
"1154137"	200.633351	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+3ACN+2H"	125.094202
"1698585"	408.199185	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+NH4+CF3COOH"	132.026685
"1637155"	413.15458	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+Na+CF3COOH"	136.98208
"1583742"	429.12852	"C10494"	"6-Shogaol;Shogaol"	"C17H24O3"	"276.1725"	"M+K+CF3COOH"	152.95602
"802322"	302.1154	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M"	0
"977805"	283.09701	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-H2O-H"	-19.01839
"63859"	200.402990666667	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M-3H"	-3.021828
"507794"	301.108124	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M-3H"	-3.021828
"888875"	99.6978573333333	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-3H"	-3.021828
"5262"	301.108124	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M-2H"	-2.014552
"443729"	452.165824	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M-2H"	-2.014552
"821530"	150.050424	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-2H"	-2.014552
"80794"	603.223524	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M-H"	-1.007276
"523271"	905.338924	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M-H"	-1.007276
"896939"	301.108124	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-H"	-1.007276
"53259"	620.250071	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M-2H+NH4"	16.019271
"488566"	922.365471	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M-2H+NH4"	16.019271
"869526"	318.134671	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-2H+NH4"	16.019271
"35238"	625.205466	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M-2H+Na"	20.974666
"483545"	927.320866	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M-2H+Na"	20.974666
"853694"	323.090066	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-2H+Na"	20.974666
"1620312"	323.090066	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Na-2H"	20.974666
"98668"	319.096463	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M-H+Cl"	33.962126
"537139"	470.154163	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M-H+Cl"	33.962126
"936853"	168.038763	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-H+Cl"	33.962126
"277961"	639.200202	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+Cl"	34.969402
"672570"	941.315602	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+Cl"	34.969402
"1283879"	337.084802	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Cl"	34.969402
"29600"	641.179406	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M-2H+K"	36.948606
"469651"	943.294806	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M-2H+K"	36.948606
"845628"	339.064006	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-2H+K"	36.948606
"1564010"	339.064006	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+K-2H"	36.948606
"952986"	347.113594	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-H+HCOOH"	44.998194
"374122"	649.229001	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+HCOOH-H"	44.998201
"358369"	663.244651	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+Hac-H"	59.013851
"1501738"	361.129251	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Hac-H"	59.013851
"958908"	369.095551	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-H+NaCOOH"	66.980151
"112721"	337.084802	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+2Cl"	69.938804
"558841"	488.142502	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+2Cl"	69.938804
"1028735"	186.027102	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2Cl"	69.938804
"1251592"	381.034285	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Br"	78.918885
"1307482"	383.090272	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Cl+HCOOH"	80.974872
"1321696"	405.072229	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Cl+NaCOOH"	102.956829
"918224"	415.100986	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M-H+CF3COOH"	112.985586
"1298213"	451.077664	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Cl+CF3COOH"	148.962264
"1379656"	267.102724	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H-2H2O"	-35.012676
"1390596"	285.1127	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H-H2O"	-17.0027
"289189"	605.238076	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+H"	1.007276
"683798"	907.353476	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+H"	1.007276
"1356867"	303.122676	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H"	1.007276
"136316"	303.122676	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+2H"	2.014552
"574784"	454.180376	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+2H"	2.014552
"1046864"	152.064976	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2H"	2.014552
"214763"	202.417542666667	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+3H"	3.021828
"653230"	303.122676	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+3H"	3.021828
"1170262"	101.712409333333	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+3H"	3.021828
"434631"	622.264623	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+NH4"	18.033823
"792712"	924.380023	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+NH4"	18.033823
"1688676"	320.149223	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+NH4"	18.033823
"338050"	311.6359495	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+H+NH4"	19.041099
"723910"	462.6936495	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+H+NH4"	19.041099
"1479552"	160.5782495	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H+NH4"	19.041099
"393735"	627.220018	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+Na"	22.989218
"755222"	929.335418	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+Na"	22.989218
"1603314"	325.104618	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Na"	22.989218
"322107"	314.113647	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+H+Na"	23.996494
"717813"	465.171347	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+H+Na"	23.996494
"1470539"	163.055947	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H+Na"	23.996494
"1065246"	109.039723333333	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2H+Na"	25.00377
"1267652"	335.148886	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+CH3OH+H"	33.033486
"386226"	643.193958	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+K"	38.963158
"753058"	945.309358	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+K"	38.963158
"1554748"	341.078558	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+K"	38.963158
"314041"	322.100617	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+H+K"	39.970434
"704713"	473.158317	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+H+K"	39.970434
"1459261"	171.042917	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H+K"	39.970434
"250412"	646.264626	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+ACN+H"	42.033826
"1214375"	344.149226	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+ACN+H"	42.033826
"1206639"	172.578251	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+ACN+2H"	43.041102
"201696"	649.20196	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+2Na-H"	44.97116
"636885"	951.31736	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+2Na-H"	44.97116
"1146345"	347.08656	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2Na-H"	44.97116
"187936"	325.104618	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+2Na"	45.978436
"626520"	476.162318	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+2Na"	45.978436
"1129662"	174.046918	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2Na"	45.978436
"1411364"	116.367037333333	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H+2Na"	46.985712
"1435825"	349.128146	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H+HCOOH"	47.012746
"224427"	330.13764	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+3H2O+2H"	56.04448
"1515769"	363.18019	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+IsoProp+H"	61.06479
"413268"	333.091588	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+Na+K"	61.952376
"775355"	484.149288	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+Na+K"	61.952376
"1671326"	182.033888	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Na+K"	61.952376
"258573"	668.246568	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+ACN+Na"	64.015768
"1231649"	366.131168	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+ACN+Na"	64.015768
"1713367"	366.154693	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+NH4+HCOOH"	64.039293
"1183705"	123.694351333333	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+3Na"	68.967654
"1650919"	371.110088	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Na+HCOOH"	68.994688
"160822"	681.14984	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+2K-H"	76.91904
"598560"	983.26524	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+2K-H"	76.91904
"1084890"	379.03444	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2K-H"	76.91904
"144993"	341.078558	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"2M+2K"	77.926316
"587834"	492.136258	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"3M+2K"	77.926316
"1069907"	190.020858	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2K"	77.926316
"1103368"	381.048992	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2K+H"	78.933592
"1338659"	381.136607	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+DMSO+H"	79.021207
"1013754"	385.175776	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2ACN+H"	83.060376
"1532973"	386.169408	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+IsoProp+Na+H"	84.054008
"1001607"	193.091526	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+2ACN+2H"	84.067652
"1596115"	387.084028	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+K+HCOOH"	84.968628
"1422867"	417.115538	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+H+CF3COOH"	115.000138
"1153154"	213.604801	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+3ACN+2H"	125.094202
"1699788"	434.142085	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+NH4+CF3COOH"	132.026685
"1636172"	439.09748	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+Na+CF3COOH"	136.98208
"1583852"	455.07142	"C10495"	"Lotisoflavan"	"C17H18O5"	"302.1154"	"M+K+CF3COOH"	152.95602
"804377"	222.0528	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M"	0
"981196"	203.03441	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"72718"	147.027924	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"513372"	221.045524	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"891173"	73.010324	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"9747"	221.045524	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"446026"	332.071924	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"824920"	110.019124	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"83091"	443.098324	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"523745"	665.151124	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"896807"	221.045524	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"53369"	460.124871	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"488555"	682.177671	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"869636"	238.072071	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"37535"	465.080266	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"482562"	687.133066	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"857084"	243.027466	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1625524"	243.027466	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"96591"	239.033863	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"537249"	350.060263	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"937327"	128.007463	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"278071"	479.075002	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"668305"	701.127802	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1284718"	257.022202	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"28737"	481.054206	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"471016"	703.107006	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"848215"	259.001406	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1561935"	259.001406	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"953099"	267.050994	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"372410"	489.103801	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"356293"	503.119451	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1502940"	281.066651	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"963921"	289.032951	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"117204"	257.022202	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"562232"	368.048602	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1033219"	145.995802	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1249518"	300.971685	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1313059"	303.027672	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1326181"	325.009629	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"914322"	335.038386	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1299416"	371.015064	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1379766"	187.040124	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1390706"	205.0501	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"292579"	445.112876	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"688281"	667.165676	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1362443"	223.060076	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"139706"	223.060076	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"578174"	334.086476	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1048069"	112.033676	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"214873"	149.042476	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"653340"	223.060076	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1170372"	75.024876	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"436927"	462.139423	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"793551"	684.192223	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1687693"	240.086623	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"339254"	231.5733495	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"728395"	342.5997495	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1478934"	120.5469495	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"396877"	467.094818	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"755444"	689.147618	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1604758"	245.042018	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"316749"	234.051047	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"718290"	345.077447	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1475393"	123.024647	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1065722"	82.35219	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1267763"	255.086286	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"388889"	483.068758	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"753044"	705.121558	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1555063"	261.015958	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"314221"	242.038017	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"706161"	353.064417	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1460831"	131.011617	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"249430"	486.139426	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1218496"	264.086626	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1202378"	132.546951	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"204095"	489.07676	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"641370"	711.12956	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1146941"	267.02396	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"188483"	245.042018	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"628434"	356.068418	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1131165"	134.015618	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1411475"	89.679504	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1437394"	269.065546	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"230005"	250.07504	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1514786"	283.11759	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"415565"	253.028988	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"775466"	364.055388	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1671436"	142.002588	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"258683"	508.121368	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1231395"	286.068568	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1714813"	286.092093	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1183451"	97.006818	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1652977"	291.047488	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"160932"	521.02464	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"600858"	743.07744	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1086098"	298.97184	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"145103"	261.015958	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"587944"	372.042358	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1069534"	149.989558	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1103478"	300.986392	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1340956"	301.074007	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1016780"	305.113176	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1534176"	306.106808	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"1001717"	153.060226	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1596225"	307.021428	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1422977"	337.052938	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1154357"	173.573501	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1699899"	354.079485	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1636282"	359.03488	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1583962"	375.00882	"C10496"	"Sphagnum acid"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"802300"	264.1474	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M"	0
"978025"	245.12901	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-H2O-H"	-19.01839
"64202"	175.090990666667	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M-3H"	-3.021828
"512387"	263.140124	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M-3H"	-3.021828
"885816"	87.0418573333333	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-3H"	-3.021828
"3296"	263.140124	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M-2H"	-2.014552
"443948"	395.213824	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M-2H"	-2.014552
"821750"	131.066424	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-2H"	-2.014552
"81742"	527.287524	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M-H"	-1.007276
"524583"	791.434924	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M-H"	-1.007276
"895720"	263.140124	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-H"	-1.007276
"47885"	544.314071	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M-2H+NH4"	16.019271
"488664"	808.461471	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M-2H+NH4"	16.019271
"869746"	280.166671	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-2H+NH4"	16.019271
"40925"	549.269466	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M-2H+Na"	20.974666
"480485"	813.416866	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M-2H+Na"	20.974666
"856101"	285.122066	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-2H+Na"	20.974666
"1631466"	285.122066	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Na-2H"	20.974666
"96695"	281.128463	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M-H+Cl"	33.962126
"538449"	413.202163	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M-H+Cl"	33.962126
"932329"	149.054763	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-H+Cl"	33.962126
"280369"	563.264202	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+Cl"	34.969402
"668415"	827.411602	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+Cl"	34.969402
"1284099"	299.116802	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Cl"	34.969402
"26657"	565.243406	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M-2H+K"	36.948606
"468045"	829.390806	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M-2H+K"	36.948606
"848295"	301.096006	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-2H+K"	36.948606
"1565326"	301.096006	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+K-2H"	36.948606
"955395"	309.145594	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-H+HCOOH"	44.998194
"371427"	573.293001	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+HCOOH-H"	44.998201
"356403"	587.308651	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+Hac-H"	59.013851
"1503051"	323.161251	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Hac-H"	59.013851
"964031"	331.127551	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-H+NaCOOH"	66.980151
"117314"	299.116802	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+2Cl"	69.938804
"562342"	431.190502	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+2Cl"	69.938804
"1032235"	167.043102	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2Cl"	69.938804
"1249628"	343.066285	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Br"	78.918885
"1309888"	345.122272	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Cl+HCOOH"	80.974872
"1326291"	367.104229	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Cl+NaCOOH"	102.956829
"916255"	377.132986	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M-H+CF3COOH"	112.985586
"1292965"	413.109664	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Cl+CF3COOH"	148.962264
"1379512"	229.134724	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H-2H2O"	-35.012676
"1387536"	247.1447	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H-H2O"	-17.0027
"287222"	529.302076	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+H"	1.007276
"682924"	793.449476	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+H"	1.007276
"1359273"	265.154676	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H"	1.007276
"135442"	265.154676	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+2H"	2.014552
"575003"	397.228376	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+2H"	2.014552
"1048177"	133.080976	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2H"	2.014552
"214982"	177.105542666667	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+3H"	3.021828
"650170"	265.154676	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+3H"	3.021828
"1168295"	89.0564093333333	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+3H"	3.021828
"434850"	546.328623	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+NH4"	18.033823
"792567"	810.476023	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+NH4"	18.033823
"1687803"	282.181223	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+NH4"	18.033823
"338270"	273.6679495	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+H+NH4"	19.041099
"727411"	405.7416495	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+H+NH4"	19.041099
"1478315"	141.5942495	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H+NH4"	19.041099
"394437"	551.284018	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+Na"	22.989218
"754283"	815.431418	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+Na"	22.989218
"1604991"	287.136618	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Na"	22.989218
"316859"	276.145647	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+H+Na"	23.996494
"719495"	408.219347	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+H+Na"	23.996494
"1475503"	144.071947	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H+Na"	23.996494
"1065467"	96.3837233333333	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2H+Na"	25.00377
"1267145"	297.180886	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+CH3OH+H"	33.033486
"387906"	567.257958	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+K"	38.963158
"751454"	831.405358	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+K"	38.963158
"1554604"	303.110558	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+K"	38.963158
"314242"	284.132617	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+H+K"	39.970434
"705911"	416.206317	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+H+K"	39.970434
"1460701"	152.058917	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H+K"	39.970434
"250512"	570.328626	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+ACN+H"	42.033826
"1221886"	306.181226	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+ACN+H"	42.033826
"1202488"	153.594251	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+ACN+2H"	43.041102
"204031"	573.26596	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+2Na-H"	44.97116
"641480"	837.41336	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+2Na-H"	44.97116
"1147015"	309.11856	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2Na-H"	44.97116
"188389"	287.136618	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+2Na"	45.978436
"628353"	419.210318	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+2Na"	45.978436
"1131298"	155.062918	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2Na"	45.978436
"1411585"	103.711037333333	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H+2Na"	46.985712
"1434588"	311.160146	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H+HCOOH"	47.012746
"229022"	292.16964	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+3H2O+2H"	56.04448
"1515989"	325.21219	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+IsoProp+H"	61.06479
"417862"	295.123588	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+Na+K"	61.952376
"773390"	427.197288	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+Na+K"	61.952376
"1671546"	163.049888	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Na+K"	61.952376
"256607"	592.310568	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+ACN+Na"	64.015768
"1231141"	328.163168	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+ACN+Na"	64.015768
"1713466"	328.186693	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+NH4+HCOOH"	64.039293
"1183197"	111.038351333333	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+3Na"	68.967654
"1652723"	333.142088	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Na+HCOOH"	68.994688
"157883"	605.21384	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+2K-H"	76.91904
"600968"	869.36124	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+2K-H"	76.91904
"1086331"	341.06644	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2K-H"	76.91904
"145213"	303.110558	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"2M+2K"	77.926316
"588054"	435.184258	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"3M+2K"	77.926316
"1069406"	171.036858	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2K"	77.926316
"1103588"	343.080992	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2K+H"	78.933592
"1343253"	343.168607	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+DMSO+H"	79.021207
"1017620"	347.207776	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2ACN+H"	83.060376
"1535016"	348.201408	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+IsoProp+Na+H"	84.054008
"1000370"	174.107526	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+2ACN+2H"	84.067652
"1596335"	349.116028	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+K+HCOOH"	84.968628
"1423087"	379.147538	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+H+CF3COOH"	115.000138
"1156654"	194.620801	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+3ACN+2H"	125.094202
"1700738"	396.174085	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+NH4+CF3COOH"	132.026685
"1636392"	401.12948	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+Na+CF3COOH"	136.98208
"1584072"	417.10342	"C10497"	"Feruloylputrescine;Subaphyllin"	"C14H20N2O3"	"264.1474"	"M+K+CF3COOH"	152.95602
"802774"	354.1103	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M"	0
"978135"	335.09191	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-H2O-H"	-19.01839
"67470"	235.066257333333	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M-3H"	-3.021828
"512496"	353.103024	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M-3H"	-3.021828
"884832"	117.029490666667	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-3H"	-3.021828
"7779"	353.103024	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M-2H"	-2.014552
"445151"	530.158174	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M-2H"	-2.014552
"819673"	176.047874	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-2H"	-2.014552
"81852"	707.213324	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M-H"	-1.007276
"525786"	1061.323624	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M-H"	-1.007276
"896047"	353.103024	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-H"	-1.007276
"47505"	724.239871	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M-2H+NH4"	16.019271
"487474"	1078.350171	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M-2H+NH4"	16.019271
"864873"	370.129571	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-2H+NH4"	16.019271
"32043"	729.195266	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M-2H+Na"	20.974666
"479502"	1083.305566	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M-2H+Na"	20.974666
"856212"	375.084966	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-2H+Na"	20.974666
"1627932"	375.084966	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Na-2H"	20.974666
"96077"	371.091363	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M-H+Cl"	33.962126
"535277"	548.146513	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M-H+Cl"	33.962126
"933532"	194.036213	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-H+Cl"	33.962126
"277195"	743.190002	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+Cl"	34.969402
"671806"	1097.300302	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+Cl"	34.969402
"1282021"	389.079702	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Cl"	34.969402
"23119"	745.169206	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M-2H+K"	36.948606
"468517"	1099.279506	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M-2H+K"	36.948606
"847053"	391.058906	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-2H+K"	36.948606
"1568717"	391.058906	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+K-2H"	36.948606
"952225"	399.108494	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-H+HCOOH"	44.998194
"373721"	753.218801	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+HCOOH-H"	44.998201
"358334"	767.234451	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+Hac-H"	59.013851
"1503157"	413.124151	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Hac-H"	59.013851
"966328"	421.090451	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-H+NaCOOH"	66.980151
"118516"	389.079702	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+2Cl"	69.938804
"559172"	566.134852	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+2Cl"	69.938804
"1032345"	212.024552	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2Cl"	69.938804
"1251925"	433.029185	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Br"	78.918885
"1309998"	435.085172	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Cl+HCOOH"	80.974872
"1329681"	457.067129	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Cl+NaCOOH"	102.956829
"921833"	467.095886	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M-H+CF3COOH"	112.985586
"1293075"	503.072564	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Cl+CF3COOH"	148.962264
"1380715"	319.097624	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H-2H2O"	-35.012676
"1389833"	337.1076	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H-H2O"	-17.0027
"287332"	709.227876	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+H"	1.007276
"683034"	1063.338176	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+H"	1.007276
"1361570"	355.117576	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H"	1.007276
"133365"	355.117576	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+2H"	2.014552
"575113"	532.172726	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+2H"	2.014552
"1047194"	178.062426	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2H"	2.014552
"211812"	237.080809333333	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+3H"	3.021828
"652467"	355.117576	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+3H"	3.021828
"1167312"	119.044042666667	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+3H"	3.021828
"434960"	726.254423	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+NH4"	18.033823
"790487"	1080.364723	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+NH4"	18.033823
"1691192"	372.144123	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+NH4"	18.033823
"337286"	363.6308495	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+H+NH4"	19.041099
"728613"	540.6859995	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+H+NH4"	19.041099
"1482433"	186.5756995	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H+NH4"	19.041099
"396370"	731.209818	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+Na"	22.989218
"755907"	1085.320118	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+Na"	22.989218
"1605099"	377.099518	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Na"	22.989218
"318062"	366.108547	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+H+Na"	23.996494
"717048"	543.163697	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+H+Na"	23.996494
"1474884"	189.053397	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H+Na"	23.996494
"1065212"	126.371356666667	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2H+Na"	25.00377
"1267254"	387.143786	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+CH3OH+H"	33.033486
"388745"	747.183758	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+K"	38.963158
"751565"	1101.294058	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+K"	38.963158
"1555417"	393.073458	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+K"	38.963158
"313963"	374.095517	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+H+K"	39.970434
"706385"	551.150667	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+H+K"	39.970434
"1459961"	197.040367	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H+K"	39.970434
"250015"	750.254426	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+ACN+H"	42.033826
"1221996"	396.144126	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+ACN+H"	42.033826
"1202598"	198.575701	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+ACN+2H"	43.041102
"204197"	753.19176	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+2Na-H"	44.97116
"641226"	1107.30206	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+2Na-H"	44.97116
"1146563"	399.08146	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2Na-H"	44.97116
"187665"	377.099518	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+2Na"	45.978436
"628154"	554.154668	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+2Na"	45.978436
"1130726"	200.044368	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2Na"	45.978436
"1409145"	133.698670666667	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H+2Na"	46.985712
"1437250"	401.123046	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H+HCOOH"	47.012746
"232413"	382.13254	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+3H2O+2H"	56.04448
"1520109"	415.17509	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+IsoProp+H"	61.06479
"414692"	385.086488	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+Na+K"	61.952376
"774592"	562.141638	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+Na+K"	61.952376
"1670928"	208.031338	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Na+K"	61.952376
"256352"	772.236368	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+ACN+Na"	64.015768
"1228699"	418.126068	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+ACN+Na"	64.015768
"1716127"	418.149593	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+NH4+HCOOH"	64.039293
"1180023"	141.025984666667	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+3Na"	68.967654
"1652104"	423.104988	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Na+HCOOH"	68.994688
"157871"	785.13964	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+2K-H"	76.91904
"597791"	1139.24994	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+2K-H"	76.91904
"1085225"	431.02934	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2K-H"	76.91904
"148239"	393.073458	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"2M+2K"	77.926316
"588164"	570.128608	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"3M+2K"	77.926316
"1077782"	216.018308	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2K"	77.926316
"1110262"	433.043892	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2K+H"	78.933592
"1340083"	433.131507	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+DMSO+H"	79.021207
"1017366"	437.170676	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2ACN+H"	83.060376
"1536584"	438.164308	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+IsoProp+Na+H"	84.054008
"1001208"	219.088976	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+2ACN+2H"	84.067652
"1595348"	439.078928	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+K+HCOOH"	84.968628
"1423197"	469.110438	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+H+CF3COOH"	115.000138
"1159317"	239.602251	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+3ACN+2H"	125.094202
"1701941"	486.136985	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+NH4+CF3COOH"	132.026685
"1636502"	491.09238	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+Na+CF3COOH"	136.98208
"1584182"	507.06632	"C10498"	"Luteone"	"C20H18O6"	"354.1103"	"M+K+CF3COOH"	152.95602
"816740"	640.2003	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M"	0
"979338"	621.18191	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-H2O-H"	-19.01839
"65391"	425.792924	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M-3H"	-3.021828
"507141"	639.193024	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M-3H"	-3.021828
"887128"	212.392824	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-3H"	-3.021828
"7889"	639.193024	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M-2H"	-2.014552
"448543"	959.293174	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M-2H"	-2.014552
"823065"	319.092874	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-2H"	-2.014552
"85244"	1279.393324	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M-H"	-1.007276
"523711"	1919.593624	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M-H"	-1.007276
"896771"	639.193024	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-H"	-1.007276
"49689"	1296.419871	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M-2H+NH4"	16.019271
"487256"	1936.620171	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M-2H+NH4"	16.019271
"864276"	656.219571	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-2H+NH4"	16.019271
"32275"	1301.375266	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M-2H+Na"	20.974666
"478521"	1941.575566	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M-2H+Na"	20.974666
"850856"	661.174966	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-2H+Na"	20.974666
"1622575"	661.174966	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Na-2H"	20.974666
"96915"	657.181363	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M-H+Cl"	33.962126
"535141"	977.281513	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M-H+Cl"	33.962126
"934371"	337.081213	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-H+Cl"	33.962126
"275481"	1315.370002	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+Cl"	34.969402
"671916"	1955.570302	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+Cl"	34.969402
"1283224"	675.169702	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Cl"	34.969402
"26141"	1317.349206	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M-2H+K"	36.948606
"465347"	1957.549506	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M-2H+K"	36.948606
"846798"	677.148906	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-2H+K"	36.948606
"1565547"	677.148906	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+K-2H"	36.948606
"950148"	685.198494	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-H+HCOOH"	44.998194
"372738"	1325.398801	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+HCOOH-H"	44.998201
"353341"	1339.414451	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+Hac-H"	59.013851
"1505454"	699.214151	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Hac-H"	59.013851
"964251"	707.180451	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-H+NaCOOH"	66.980151
"117533"	675.169702	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+2Cl"	69.938804
"559283"	995.269852	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+2Cl"	69.938804
"1029175"	355.069552	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2Cl"	69.938804
"1247661"	719.119185	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Br"	78.918885
"1310108"	721.175172	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Cl+HCOOH"	80.974872
"1326511"	743.157129	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Cl+NaCOOH"	102.956829
"918663"	753.185886	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M-H+CF3COOH"	112.985586
"1293549"	789.162564	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Cl+CF3COOH"	148.962264
"1380096"	605.187624	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H-2H2O"	-35.012676
"1388850"	623.1976	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H-H2O"	-17.0027
"287442"	1281.407876	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+H"	1.007276
"682051"	1921.608176	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+H"	1.007276
"1356214"	641.207576	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H"	1.007276
"135663"	641.207576	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+2H"	2.014552
"575223"	961.307726	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+2H"	2.014552
"1045117"	321.107426	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2H"	2.014552
"214110"	427.807476	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+3H"	3.021828
"652577"	641.207576	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+3H"	3.021828
"1166329"	214.407376	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+3H"	3.021828
"428873"	1298.434423	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+NH4"	18.033823
"789506"	1938.634723	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+NH4"	18.033823
"1684743"	658.234123	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+NH4"	18.033823
"332652"	649.7208495	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+H+NH4"	19.041099
"725807"	969.8209995	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+H+NH4"	19.041099
"1480357"	329.6206995	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H+NH4"	19.041099
"394657"	1303.389818	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+Na"	22.989218
"756018"	1943.590118	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+Na"	22.989218
"1604117"	663.189518	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Na"	22.989218
"315373"	652.198547	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+H+Na"	23.996494
"714971"	972.298697	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+H+Na"	23.996494
"1474994"	332.098397	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H+Na"	23.996494
"1066416"	221.73469	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2H+Na"	25.00377
"1268093"	673.233786	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+CH3OH+H"	33.033486
"389219"	1319.363758	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+K"	38.963158
"753629"	1959.564058	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+K"	38.963158
"1555194"	679.163458	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+K"	38.963158
"314117"	660.185517	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+H+K"	39.970434
"706618"	980.285667	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+H+K"	39.970434
"1461249"	340.085367	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H+K"	39.970434
"251226"	1322.434426	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+ACN+H"	42.033826
"1223200"	682.234126	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+ACN+H"	42.033826
"1208176"	341.620701	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+ACN+2H"	43.041102
"201046"	1325.37176	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+2Na-H"	44.97116
"642065"	1965.57206	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+2Na-H"	44.97116
"1145570"	685.17146	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2Na-H"	44.97116
"188015"	663.189518	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+2Na"	45.978436
"626237"	983.289668	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+2Na"	45.978436
"1126094"	343.089368	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2Na"	45.978436
"1412173"	229.062004	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H+2Na"	46.985712
"1437359"	687.213046	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H+HCOOH"	47.012746
"222682"	668.22254	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+3H2O+2H"	56.04448
"1512927"	701.26509	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+IsoProp+H"	61.06479
"418081"	671.176488	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+Na+K"	61.952376
"774705"	991.276638	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+Na+K"	61.952376
"1672132"	351.076338	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Na+K"	61.952376
"260841"	1344.416368	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+ACN+Na"	64.015768
"1231726"	704.216068	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+ACN+Na"	64.015768
"1714779"	704.239593	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+NH4+HCOOH"	64.039293
"1188523"	236.389318	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+3Na"	68.967654
"1650994"	709.194988	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Na+HCOOH"	68.994688
"158345"	1357.31964	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+2K-H"	76.91904
"597902"	1997.51994	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+2K-H"	76.91904
"1085457"	717.11934	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2K-H"	76.91904
"145434"	679.163458	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"2M+2K"	77.926316
"590100"	999.263608	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"3M+2K"	77.926316
"1078986"	359.063308	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2K"	77.926316
"1108913"	719.133892	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2K+H"	78.933592
"1342382"	719.221507	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+DMSO+H"	79.021207
"1019421"	723.260676	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2ACN+H"	83.060376
"1536330"	724.254308	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+IsoProp+Na+H"	84.054008
"1001320"	362.133976	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+2ACN+2H"	84.067652
"1595458"	725.168928	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+K+HCOOH"	84.968628
"1424402"	755.200438	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+H+CF3COOH"	115.000138
"1154689"	382.647251	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+3ACN+2H"	125.094202
"1698775"	772.226985	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+NH4+CF3COOH"	132.026685
"1643174"	777.18238	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+Na+CF3COOH"	136.98208
"1584292"	793.15632	"C10499"	"Suspensaside"	"C29H36O16"	"640.2003"	"M+K+CF3COOH"	152.95602
"804816"	840.1902	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M"	0
"976168"	821.17181	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-H2O-H"	-19.01839
"65137"	559.119524	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M-3H"	-3.021828
"507250"	839.182924	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M-3H"	-3.021828
"886145"	279.056124	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-3H"	-3.021828
"4719"	839.182924	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M-2H"	-2.014552
"442456"	1259.278024	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M-2H"	-2.014552
"823175"	419.087824	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-2H"	-2.014552
"84261"	1679.373124	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M-H"	-1.007276
"521635"	2519.563324	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M-H"	-1.007276
"899435"	839.182924	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-H"	-1.007276
"50528"	1696.399671	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M-2H+NH4"	16.019271
"488266"	2536.589871	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M-2H+NH4"	16.019271
"865335"	856.209471	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-2H+NH4"	16.019271
"33602"	1701.355066	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M-2H+Na"	20.974666
"472799"	2541.545266	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M-2H+Na"	20.974666
"852057"	861.164866	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-2H+Na"	20.974666
"1622686"	861.164866	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Na-2H"	20.974666
"95568"	857.171263	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M-H+Cl"	33.962126
"535497"	1277.266363	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M-H+Cl"	33.962126
"933390"	437.076163	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-H+Cl"	33.962126
"274135"	1715.349802	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+Cl"	34.969402
"672027"	2555.540002	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+Cl"	34.969402
"1283335"	875.159602	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Cl"	34.969402
"24801"	1717.329006	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M-2H+K"	36.948606
"470807"	2557.519206	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M-2H+K"	36.948606
"845448"	877.138806	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-2H+K"	36.948606
"1565657"	877.138806	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+K-2H"	36.948606
"952445"	885.188394	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-H+HCOOH"	44.998194
"373941"	1725.378601	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+HCOOH-H"	44.998201
"353452"	1739.394251	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+Hac-H"	59.013851
"1497911"	899.204051	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Hac-H"	59.013851
"961080"	907.170351	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-H+NaCOOH"	66.980151
"116549"	875.159602	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+2Cl"	69.938804
"557204"	1295.254702	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+2Cl"	69.938804
"1032198"	455.064502	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2Cl"	69.938804
"1243397"	919.109085	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Br"	78.918885
"1313499"	921.165072	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Cl+HCOOH"	80.974872
"1324433"	943.147029	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Cl+NaCOOH"	102.956829
"922053"	953.175786	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M-H+CF3COOH"	112.985586
"1294388"	989.152464	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Cl+CF3COOH"	148.962264
"1378019"	805.177524	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H-2H2O"	-35.012676
"1390052"	823.1875	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H-H2O"	-17.0027
"286459"	1681.387676	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+H"	1.007276
"679975"	2521.577876	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+H"	1.007276
"1353407"	841.197476	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H"	1.007276
"129941"	841.197476	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+2H"	2.014552
"574240"	1261.292576	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+2H"	2.014552
"1043040"	421.102376	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2H"	2.014552
"212032"	561.134076	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+3H"	3.021828
"646125"	841.197476	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+3H"	3.021828
"1166072"	281.070676	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+3H"	3.021828
"430806"	1698.414223	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+NH4"	18.033823
"789615"	2538.604423	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+NH4"	18.033823
"1684486"	858.224023	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+NH4"	18.033823
"335317"	849.7107495	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+H+NH4"	19.041099
"728833"	1269.8058495	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+H+NH4"	19.041099
"1481560"	429.6156495	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H+NH4"	19.041099
"394402"	1703.369618	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+Na"	22.989218
"755157"	2543.559818	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+Na"	22.989218
"1603742"	863.179418	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Na"	22.989218
"314753"	852.188447	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+H+Na"	23.996494
"716174"	1272.283547	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+H+Na"	23.996494
"1474739"	432.093347	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H+Na"	23.996494
"1067985"	288.39799	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2H+Na"	25.00377
"1271484"	873.223686	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+CH3OH+H"	33.033486
"388600"	1719.343558	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+K"	38.963158
"753371"	2559.533758	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+K"	38.963158
"1555016"	879.153358	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+K"	38.963158
"312968"	860.175417	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+H+K"	39.970434
"706360"	1280.270517	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+H+K"	39.970434
"1460505"	440.080317	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H+K"	39.970434
"246956"	1722.414226	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+ACN+H"	42.033826
"1222216"	882.224026	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+ACN+H"	42.033826
"1205369"	441.615651	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+ACN+2H"	43.041102
"202250"	1725.35156	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+2Na-H"	44.97116
"642175"	2565.54176	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+2Na-H"	44.97116
"1145684"	885.16136	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2Na-H"	44.97116
"186789"	863.179418	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+2Na"	45.978436
"627436"	1283.274518	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+2Na"	45.978436
"1126203"	443.084318	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2Na"	45.978436
"1410824"	295.725304	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H+2Na"	46.985712
"1435647"	887.202946	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H+HCOOH"	47.012746
"224979"	868.21244	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+3H2O+2H"	56.04448
"1513767"	901.25499	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+IsoProp+H"	61.06479
"417098"	871.166388	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+Na+K"	61.952376
"775542"	1291.261488	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+Na+K"	61.952376
"1671148"	451.071288	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Na+K"	61.952376
"259856"	1744.396168	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+ACN+Na"	64.015768
"1232565"	904.205968	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+ACN+Na"	64.015768
"1716346"	904.229493	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+NH4+HCOOH"	64.039293
"1191184"	303.052618	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+3Na"	68.967654
"1652325"	909.184888	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Na+HCOOH"	68.994688
"158456"	1757.29944	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+2K-H"	76.91904
"599841"	2597.48964	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+2K-H"	76.91904
"1087634"	917.10924	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2K-H"	76.91904
"145545"	879.153358	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"2M+2K"	77.926316
"589479"	1299.248458	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"3M+2K"	77.926316
"1077271"	459.058258	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2K"	77.926316
"1109388"	919.123792	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2K+H"	78.933592
"1340305"	919.211407	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+DMSO+H"	79.021207
"1017949"	923.250576	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2ACN+H"	83.060376
"1538627"	924.244208	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+IsoProp+Na+H"	84.054008
"999969"	462.128926	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+2ACN+2H"	84.067652
"1595568"	925.158828	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+K+HCOOH"	84.968628
"1424512"	955.190338	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+H+CF3COOH"	115.000138
"1158079"	482.642201	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+3ACN+2H"	125.094202
"1702165"	972.216885	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+NH4+CF3COOH"	132.026685
"1643284"	977.17228	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+Na+CF3COOH"	136.98208
"1584402"	993.14622	"C10500"	"1345-Tetracaffeoylquinic acid"	"C43H36O18"	"840.1902"	"M+K+CF3COOH"	152.95602
"801687"	624.2054	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M"	0
"977371"	605.18701	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-H2O-H"	-19.01839
"64520"	415.129657333333	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M-3H"	-3.021828
"513921"	623.198124	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M-3H"	-3.021828
"892816"	207.061190666667	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-3H"	-3.021828
"10297"	623.198124	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M-2H"	-2.014552
"447670"	935.300824	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M-2H"	-2.014552
"828753"	311.095424	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-2H"	-2.014552
"89475"	1247.403524	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M-H"	-1.007276
"525025"	1871.608924	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M-H"	-1.007276
"901732"	623.198124	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-H"	-1.007276
"55013"	1264.430071	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M-2H+NH4"	16.019271
"489470"	1888.635471	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M-2H+NH4"	16.019271
"868001"	640.224671	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-2H+NH4"	16.019271
"32621"	1269.385466	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M-2H+Na"	20.974666
"471735"	1893.590866	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M-2H+Na"	20.974666
"851074"	645.180066	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-2H+Na"	20.974666
"1619151"	645.180066	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Na-2H"	20.974666
"95319"	641.186463	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M-H+Cl"	33.962126
"534878"	953.289163	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M-H+Cl"	33.962126
"935690"	329.083763	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-H+Cl"	33.962126
"275340"	1283.380202	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+Cl"	34.969402
"665577"	1907.585602	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+Cl"	34.969402
"1281260"	659.174802	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Cl"	34.969402
"28922"	1285.359406	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M-2H+K"	36.948606
"469942"	1909.564806	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M-2H+K"	36.948606
"843371"	661.154006	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-2H+K"	36.948606
"1564672"	661.154006	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+K-2H"	36.948606
"949274"	669.203594	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-H+HCOOH"	44.998194
"372958"	1293.409001	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+HCOOH-H"	44.998201
"355749"	1307.424651	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+Hac-H"	59.013851
"1501300"	683.219251	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Hac-H"	59.013851
"964470"	691.185551	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-H+NaCOOH"	66.980151
"111192"	659.174802	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+2Cl"	69.938804
"561689"	971.277502	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+2Cl"	69.938804
"1029393"	347.072102	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2Cl"	69.938804
"1243141"	703.124285	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Br"	78.918885
"1308141"	705.180272	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Cl+HCOOH"	80.974872
"1325638"	727.162229	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Cl+NaCOOH"	102.956829
"917060"	737.190986	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M-H+CF3COOH"	112.985586
"1294498"	773.167664	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Cl+CF3COOH"	148.962264
"1379224"	589.192724	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H-2H2O"	-35.012676
"1386882"	607.2027	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H-H2O"	-17.0027
"285475"	1249.418076	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+H"	1.007276
"681178"	1873.623476	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+H"	1.007276
"1358621"	625.212676	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H"	1.007276
"132604"	625.212676	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+2H"	2.014552
"569611"	937.315376	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+2H"	2.014552
"1042421"	313.109976	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2H"	2.014552
"212143"	417.144209333333	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+3H"	3.021828
"648423"	625.212676	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+3H"	3.021828
"1167278"	209.075742666667	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+3H"	3.021828
"430919"	1266.444623	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+NH4"	18.033823
"791913"	1890.650023	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+NH4"	18.033823
"1683866"	642.239223	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+NH4"	18.033823
"333239"	633.7259495	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+H+NH4"	19.041099
"728944"	945.8286495	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+H+NH4"	19.041099
"1481670"	321.6232495	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H+NH4"	19.041099
"394882"	1271.400018	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+Na"	22.989218
"754784"	1895.605418	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+Na"	22.989218
"1604091"	647.194618	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Na"	22.989218
"319484"	636.203647	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+H+Na"	23.996494
"715191"	948.306347	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+H+Na"	23.996494
"1475941"	324.100947	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H+Na"	23.996494
"1067362"	216.403056666667	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2H+Na"	25.00377
"1272609"	657.238886	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+CH3OH+H"	33.033486
"392689"	1287.373958	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+K"	38.963158
"754093"	1911.579358	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+K"	38.963158
"1555043"	663.168558	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+K"	38.963158
"313970"	644.190617	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+H+K"	39.970434
"706549"	956.293317	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+H+K"	39.970434
"1460939"	332.087917	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H+K"	39.970434
"250832"	1290.444626	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+ACN+H"	42.033826
"1221232"	666.239226	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+ACN+H"	42.033826
"1206208"	333.623251	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+ACN+2H"	43.041102
"201996"	1293.38196	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+2Na-H"	44.97116
"643014"	1917.58736	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+2Na-H"	44.97116
"1145670"	669.17656	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2Na-H"	44.97116
"185070"	647.194618	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+2Na"	45.978436
"626454"	959.297318	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+2Na"	45.978436
"1129961"	335.091918	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2Na"	45.978436
"1407651"	223.730370666667	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H+2Na"	46.985712
"1438672"	671.218146	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H+HCOOH"	47.012746
"226182"	652.22764	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+3H2O+2H"	56.04448
"1513515"	685.27019	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+IsoProp+H"	61.06479
"415022"	655.181588	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+Na+K"	61.952376
"776021"	967.284288	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+Na+K"	61.952376
"1671258"	343.078888	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Na+K"	61.952376
"261059"	1312.426568	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+ACN+Na"	64.015768
"1229759"	688.221168	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+ACN+Na"	64.015768
"1719375"	688.244693	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+NH4+HCOOH"	64.039293
"1192021"	231.057684666667	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+3Na"	68.967654
"1652435"	693.200088	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Na+HCOOH"	68.994688
"158203"	1325.32984	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+2K-H"	76.91904
"597759"	1949.53524	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+2K-H"	76.91904
"1084823"	701.12444	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2K-H"	76.91904
"143467"	663.168558	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"2M+2K"	77.926316
"587402"	975.271258	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"3M+2K"	77.926316
"1077382"	351.065858	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2K"	77.926316
"1109498"	703.138992	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2K+H"	78.933592
"1348436"	703.226607	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+DMSO+H"	79.021207
"1013320"	707.265776	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2ACN+H"	83.060376
"1532538"	708.259408	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+IsoProp+Na+H"	84.054008
"997892"	354.136526	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+2ACN+2H"	84.067652
"1593491"	709.174028	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+K+HCOOH"	84.968628
"1428267"	739.205538	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+H+CF3COOH"	115.000138
"1151629"	374.649801	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+3ACN+2H"	125.094202
"1707741"	756.232085	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+NH4+CF3COOH"	132.026685
"1643394"	761.18748	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+Na+CF3COOH"	136.98208
"1584512"	777.16142	"C10501"	"Verbascoside;Acteoside"	"C29H36O15"	"624.2054"	"M+K+CF3COOH"	152.95602
"801837"	284.0685	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M"	0
"977481"	265.05011	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"67909"	188.371724	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"511844"	283.061224	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"886365"	93.682224	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"3847"	283.061224	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"445593"	425.095474	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"825582"	141.026974	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"89585"	567.129724	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"524041"	851.198224	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"898926"	283.061224	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"51843"	584.156271	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"488608"	868.224771	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"868111"	300.087771	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"33216"	589.111666	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"471845"	873.180166	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"848998"	305.043166	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1619626"	305.043166	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"96522"	301.049563	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"535352"	443.083813	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"935797"	159.015313	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"273263"	603.106402	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"666777"	887.174902	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1275172"	319.037902	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"20648"	605.085606	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"461303"	889.154106	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"836919"	321.017106	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1562594"	321.017106	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"949384"	329.066694	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"370881"	613.135201	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"351483"	627.150851	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1498130"	343.082351	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"967860"	351.048651	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"111666"	319.037902	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"562893"	461.072152	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1032783"	177.003652	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1243980"	362.987385	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1311531"	365.043372	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1329028"	387.025329	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"917899"	397.054086	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1295701"	433.030764	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1379336"	249.055824	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1388085"	267.0658	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"292145"	569.144276	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"681288"	853.212776	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1356544"	285.075776	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"133807"	285.075776	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"572273"	427.110026	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1042167"	143.041526	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"214440"	190.386276	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"647805"	285.075776	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1167753"	95.696776	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"428840"	586.170823	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"792023"	870.239323	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1683612"	302.102323	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"333714"	293.5890495	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"726867"	435.6232995	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1481780"	151.5547995	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"394996"	591.126218	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"758175"	875.194718	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1605536"	307.057718	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"316315"	296.066747	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"716394"	438.100997	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1475565"	154.032497	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1067472"	103.02409	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1271704"	317.101986	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"391377"	607.100158	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"754076"	891.168658	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1553326"	323.031658	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"311969"	304.053717	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"705482"	446.087967	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1460034"	162.019467	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"249970"	610.170826	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1220249"	326.102326	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1205953"	163.554801	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"201741"	613.10816	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"642640"	897.17666	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1142985"	329.03966	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"182994"	307.057718	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"625471"	449.091968	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1128247"	165.023468	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1405574"	110.351404	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1435499"	331.081246	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"225926"	312.09074	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1514351"	345.13329	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"416226"	315.044688	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"775397"	457.078938	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1671367"	173.010438	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"256796"	632.152768	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1229868"	348.084268	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1719485"	348.107793	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1183747"	117.678718	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1649905"	353.063188	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"159037"	645.05604	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"597788"	929.12454	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1084323"	360.98754	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"141506"	323.031658	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"589698"	465.065908	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1070930"	180.997408	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1106328"	363.002092	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1345993"	363.089707	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1013429"	367.128876	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1528274"	368.122508	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"1000189"	184.068076	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1594694"	369.037128	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1428377"	399.068638	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1155019"	204.581351	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1710038"	416.095185	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1643504"	421.05058	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1584622"	437.02452	"C10502"	"(-)-Maackiain;Inermin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"805147"	270.0892	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M"	0
"985246"	251.07081	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"68020"	179.052190666667	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"511954"	269.081924	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"889756"	89.0224573333333	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"7237"	269.081924	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"451171"	404.126524	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"825692"	134.037324	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"90788"	539.171124	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"524151"	809.260324	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"901952"	269.081924	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"55233"	556.197671	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"490420"	826.286871	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"868221"	286.108471	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"32476"	561.153066	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"472767"	831.242266	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"849350"	291.063866	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1619734"	291.063866	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"94930"	287.070263	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"536919"	422.114863	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"934814"	152.025663	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"275560"	575.147802	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"663607"	845.237002	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1282572"	305.058602	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"22945"	577.127006	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"463600"	847.216206	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"833745"	307.037806	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1556265"	307.037806	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"946213"	315.087394	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"368804"	585.176601	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"347220"	599.192251	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1500427"	329.103051	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"969064"	337.069351	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"116880"	305.058602	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"564583"	440.103202	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1035081"	170.014002	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1255753"	349.008085	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1308361"	351.064072	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1324763"	373.046029	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"921291"	383.074786	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1299093"	419.051464	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1380177"	235.076524	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1388195"	253.0865	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"291162"	541.185676	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"681398"	811.274876	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1359935"	271.096476	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"130637"	271.096476	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"574571"	406.141076	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1044466"	136.051876	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"217466"	181.066742666667	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"651925"	271.096476	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1168591"	91.0370093333333	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"435512"	558.212223	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"791042"	828.301423	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1688464"	288.123023	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"337835"	279.6097495	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"728073"	414.6543495	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1480798"	144.5651495	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"397294"	563.167618	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"761565"	833.256818	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1605294"	293.078418	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"319706"	282.087447	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"716504"	417.132047	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1467045"	147.042847	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1062114"	98.3643233333333	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1268530"	303.122686	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"389293"	579.141558	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"752968"	849.230758	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1551250"	309.052358	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"314193"	290.074417	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"706444"	425.119017	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1461119"	155.029817	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"249352"	582.212226	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1219265"	312.123026	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1205334"	156.565151	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"201123"	585.14956	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"641046"	855.23876	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1144799"	315.06036	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"185293"	293.078418	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"625584"	428.123018	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1128720"	158.033818	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1403498"	105.691637333333	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1432697"	317.101946	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"223850"	298.11144	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1512278"	331.15399	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"417430"	301.065388	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"776241"	436.109988	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1670385"	166.020788	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"256906"	604.194168	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1236906"	334.104968	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1720689"	334.128493	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1183857"	113.018951333333	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1650465"	339.083888	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"158781"	617.09744	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"597776"	887.18664	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1084759"	347.00824	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"141615"	309.052358	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"587621"	444.096958	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1073227"	174.007758	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1109718"	349.022792	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1349019"	349.110407	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1019857"	353.149576	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1530571"	354.143208	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"1000299"	177.078426	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1596991"	355.057828	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1427026"	385.089338	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1154034"	197.591701	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1703586"	402.115885	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1643614"	407.07128	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1584732"	423.04522	"C10503"	"Medicarpin;(-)-Medicarpin"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"802098"	284.0685	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M"	0
"977701"	265.05011	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"64605"	188.371724	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"505503"	283.061224	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"883305"	93.682224	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"4066"	283.061224	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"448000"	425.095474	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"825802"	141.026974	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"86889"	567.129724	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"526448"	851.198224	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"900969"	283.061224	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"53156"	584.156271	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"495998"	868.224771	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"873800"	300.087771	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"33193"	589.111666	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"472507"	873.180166	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"849341"	305.043166	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1619968"	305.043166	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"95769"	301.049563	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"536299"	443.083813	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"929456"	159.015313	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"274574"	603.106402	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"668090"	887.174902	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1279401"	319.037902	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"20863"	605.085606	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"463709"	889.154106	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"837140"	321.017106	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1557348"	321.017106	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"943196"	329.066694	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"364540"	613.135201	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"351704"	627.150851	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1496164"	343.082351	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"968081"	351.048651	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"116990"	319.037902	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"553269"	461.072152	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1033004"	177.003652	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1253676"	362.987385	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1309565"	365.043372	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1328156"	387.025329	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"923591"	397.054086	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1302488"	433.030764	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1380651"	249.055824	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1385025"	267.0658	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"292367"	569.144276	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"680415"	853.212776	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1357859"	285.075776	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"135121"	285.075776	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"576868"	427.110026	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1045668"	143.041526	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"216484"	190.386276	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"653129"	285.075776	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1172348"	95.696776	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"434528"	586.170823	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"793336"	870.239323	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1688573"	302.102323	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"339038"	293.5890495	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"729276"	435.6232995	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1485281"	151.5547995	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"400682"	591.126218	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"759491"	875.194718	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1613054"	307.057718	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"324184"	296.066747	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"719533"	438.100997	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1472259"	154.032497	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1064412"	103.02409	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1270955"	317.101986	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"391230"	607.100158	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"749305"	891.168658	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1551360"	323.031658	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"312802"	304.053717	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"706315"	446.087967	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1459888"	162.019467	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"250434"	610.170826	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1217190"	326.102326	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1205447"	163.554801	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"199045"	613.10816	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"640064"	897.17666	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1144663"	329.03966	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"186861"	307.057718	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"626663"	449.091968	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1129438"	165.023468	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1406888"	110.351404	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1434628"	331.081246	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"226511"	312.09074	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1514572"	345.13329	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"418632"	315.044688	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"772335"	457.078938	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1669762"	173.010438	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"254461"	632.152768	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1236652"	348.084268	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1719706"	348.107793	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1183967"	117.678718	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1658235"	353.063188	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"159628"	645.05604	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"602469"	929.12454	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1085888"	360.98754	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"147078"	323.031658	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"591012"	465.065908	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1074431"	180.997408	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1106548"	363.002092	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1350225"	363.089707	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1019116"	367.128876	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1531775"	368.122508	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"999316"	184.068076	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1597101"	369.037128	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1426043"	399.068638	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1151957"	204.581351	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1700416"	416.095185	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1643724"	421.05058	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1584842"	437.02452	"C10504"	"Melannin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"805367"	254.0943	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M"	0
"979998"	235.07591	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-H2O-H"	-19.01839
"71519"	168.388924	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M-3H"	-3.021828
"508892"	253.087024	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M-3H"	-3.021828
"881227"	83.690824	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-3H"	-3.021828
"4176"	253.087024	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M-2H"	-2.014552
"448110"	380.134174	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M-2H"	-2.014552
"822632"	126.039874	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-2H"	-2.014552
"86999"	507.181324	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M-H"	-1.007276
"526557"	761.275624	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M-H"	-1.007276
"906546"	253.087024	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-H"	-1.007276
"52173"	524.207871	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M-2H+NH4"	16.019271
"493921"	778.302171	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M-2H+NH4"	16.019271
"871723"	270.113571	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-2H+NH4"	16.019271
"35249"	529.163266	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M-2H+Na"	20.974666
"473715"	783.257566	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M-2H+Na"	20.974666
"850668"	275.068966	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-2H+Na"	20.974666
"1620079"	275.068966	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Na-2H"	20.974666
"95269"	271.075363	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M-H+Cl"	33.962126
"536167"	398.122513	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M-H+Cl"	33.962126
"929566"	144.028213	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-H+Cl"	33.962126
"274684"	543.158002	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+Cl"	34.969402
"667107"	797.252302	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+Cl"	34.969402
"1276231"	289.063702	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Cl"	34.969402
"24253"	545.137206	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M-2H+K"	36.948606
"463819"	799.231506	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M-2H+K"	36.948606
"835061"	291.042906	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-2H+K"	36.948606
"1558552"	291.042906	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+K-2H"	36.948606
"944247"	299.092494	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-H+HCOOH"	44.998194
"366837"	553.186801	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+HCOOH-H"	44.998201
"348534"	567.202451	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+Hac-H"	59.013851
"1497731"	313.108151	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Hac-H"	59.013851
"969284"	321.074451	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-H+NaCOOH"	66.980151
"118193"	289.063702	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+2Cl"	69.938804
"554472"	416.110852	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+2Cl"	69.938804
"1028739"	162.016552	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2Cl"	69.938804
"1252692"	333.013185	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Br"	78.918885
"1308945"	335.069172	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Cl+HCOOH"	80.974872
"1329359"	357.051129	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Cl+NaCOOH"	102.956829
"921513"	367.079886	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M-H+CF3COOH"	112.985586
"1302234"	403.056564	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Cl+CF3COOH"	148.962264
"1381733"	219.081624	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H-2H2O"	-35.012676
"1390603"	237.0916	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H-H2O"	-17.0027
"291384"	509.195876	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+H"	1.007276
"682711"	763.290176	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+H"	1.007276
"1357968"	255.101576	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H"	1.007276
"133044"	255.101576	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+2H"	2.014552
"575885"	382.148726	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+2H"	2.014552
"1041405"	128.054426	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2H"	2.014552
"215863"	170.403476	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+3H"	3.021828
"650320"	255.101576	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+3H"	3.021828
"1169538"	85.705376	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+3H"	3.021828
"427708"	526.222423	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+NH4"	18.033823
"792351"	780.316723	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+NH4"	18.033823
"1687588"	272.128123	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+NH4"	18.033823
"335866"	263.6148495	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+H+NH4"	19.041099
"730474"	390.6619995	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+H+NH4"	19.041099
"1486482"	136.5676995	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H+NH4"	19.041099
"396414"	531.177818	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+Na"	22.989218
"754853"	785.272118	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+Na"	22.989218
"1607698"	277.083518	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Na"	22.989218
"319920"	266.092547	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+H+Na"	23.996494
"710158"	393.139697	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+H+Na"	23.996494
"1470544"	139.045397	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H+Na"	23.996494
"1060509"	93.03269	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2H+Na"	25.00377
"1269845"	287.127786	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+CH3OH+H"	33.033486
"385868"	547.151758	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+K"	38.963158
"746135"	801.246058	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+K"	38.963158
"1551470"	293.057458	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+K"	38.963158
"312303"	274.079517	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+H+K"	39.970434
"706301"	401.126667	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+H+K"	39.970434
"1457082"	147.032367	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H+K"	39.970434
"246776"	550.222426	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+ACN+H"	42.033826
"1216207"	296.128126	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+ACN+H"	42.033826
"1204462"	148.567701	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+ACN+2H"	43.041102
"196239"	553.15976	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+2Na-H"	44.97116
"640174"	807.25406	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+2Na-H"	44.97116
"1143679"	299.06546	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2Na-H"	44.97116
"181500"	277.083518	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+2Na"	45.978436
"622155"	404.130668	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+2Na"	45.978436
"1127846"	150.036368	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2Na"	45.978436
"1406996"	100.360004	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H+2Na"	46.985712
"1435832"	301.107046	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H+HCOOH"	47.012746
"227715"	282.11654	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+3H2O+2H"	56.04448
"1516870"	315.15909	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+IsoProp+H"	61.06479
"417648"	285.070488	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+Na+K"	61.952376
"772445"	412.117638	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+Na+K"	61.952376
"1669146"	158.023338	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Na+K"	61.952376
"252989"	572.204368	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+ACN+Na"	64.015768
"1235303"	318.110068	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+ACN+Na"	64.015768
"1719816"	318.133593	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+NH4+HCOOH"	64.039293
"1184077"	107.687318	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+3Na"	68.967654
"1658345"	323.088988	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Na+HCOOH"	68.994688
"159738"	585.10764	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+2K-H"	76.91904
"602579"	839.20194	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+2K-H"	76.91904
"1086362"	331.01334	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2K-H"	76.91904
"143908"	293.057458	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"2M+2K"	77.926316
"591122"	420.104608	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"3M+2K"	77.926316
"1077820"	166.010308	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2K"	77.926316
"1106658"	333.027892	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2K+H"	78.933592
"1343042"	333.115507	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+DMSO+H"	79.021207
"1010477"	337.154676	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2ACN+H"	83.060376
"1529695"	338.148308	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+IsoProp+Na+H"	84.054008
"997238"	169.080976	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+2ACN+2H"	84.067652
"1593930"	339.062928	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+K+HCOOH"	84.968628
"1422872"	369.094438	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+H+CF3COOH"	115.000138
"1153161"	189.594251	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+3ACN+2H"	125.094202
"1701619"	386.120985	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+NH4+CF3COOH"	132.026685
"1643834"	391.07638	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+Na+CF3COOH"	136.98208
"1584952"	407.05032	"C10505"	"(R)-4-Methoxydalbergione"	"C16H14O3"	"254.0943"	"M+K+CF3COOH"	152.95602
"804383"	378.1103	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M"	0
"978285"	359.09191	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-H2O-H"	-19.01839
"68349"	251.066257333333	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M-3H"	-3.021828
"505722"	377.103024	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M-3H"	-3.021828
"881575"	125.029490666667	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-3H"	-3.021828
"4650"	377.103024	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M-2H"	-2.014552
"448220"	566.158174	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M-2H"	-2.014552
"822742"	188.047874	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-2H"	-2.014552
"84922"	755.213324	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M-H"	-1.007276
"526667"	1133.323624	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M-H"	-1.007276
"905563"	377.103024	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-H"	-1.007276
"52283"	772.239871	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M-2H+NH4"	16.019271
"496218"	1150.350171	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M-2H+NH4"	16.019271
"872927"	394.129571	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-2H+NH4"	16.019271
"35359"	777.195266	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M-2H+Na"	20.974666
"476012"	1155.305566	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M-2H+Na"	20.974666
"850413"	399.084966	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-2H+Na"	20.974666
"1620432"	399.084966	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Na-2H"	20.974666
"96597"	395.091363	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M-H+Cl"	33.962126
"538343"	584.146513	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M-H+Cl"	33.962126
"930769"	206.036213	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-H+Cl"	33.962126
"269326"	791.190002	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+Cl"	34.969402
"663935"	1169.300302	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+Cl"	34.969402
"1276340"	413.079702	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Cl"	34.969402
"21083"	793.169206	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M-2H+K"	36.948606
"459553"	1171.279506	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M-2H+K"	36.948606
"834806"	415.058906	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-2H+K"	36.948606
"1559755"	415.058906	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+K-2H"	36.948606
"943503"	423.108494	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-H+HCOOH"	44.998194
"363666"	801.218801	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+HCOOH-H"	44.998201
"345965"	815.234451	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+Hac-H"	59.013851
"1494192"	437.124151	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Hac-H"	59.013851
"959060"	445.090451	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-H+NaCOOH"	66.980151
"118303"	413.079702	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+2Cl"	69.938804
"552030"	602.134852	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+2Cl"	69.938804
"1027756"	224.024552	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2Cl"	69.938804
"1250615"	457.029185	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Br"	78.918885
"1311971"	459.085172	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Cl+HCOOH"	80.974872
"1331655"	481.067129	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Cl+NaCOOH"	102.956829
"920530"	491.095886	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M-H+CF3COOH"	112.985586
"1300519"	527.072564	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Cl+CF3COOH"	148.962264
"1381961"	343.097624	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H-2H2O"	-35.012676
"1392899"	361.1076	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H-H2O"	-17.0027
"293681"	757.227876	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+H"	1.007276
"680635"	1135.338176	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+H"	1.007276
"1360265"	379.117576	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H"	1.007276
"132061"	379.117576	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+2H"	2.014552
"577086"	568.172726	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+2H"	2.014552
"1045889"	190.062426	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2H"	2.014552
"214880"	253.080809333333	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+3H"	3.021828
"650067"	379.117576	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+3H"	3.021828
"1172566"	127.044042666667	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+3H"	3.021828
"428549"	774.254423	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+NH4"	18.033823
"792461"	1152.364723	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+NH4"	18.033823
"1687698"	396.144123	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+NH4"	18.033823
"333424"	387.6308495	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+H+NH4"	19.041099
"731678"	576.6859995	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+H+NH4"	19.041099
"1486592"	198.5756995	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H+NH4"	19.041099
"398711"	779.209818	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+Na"	22.989218
"756425"	1157.320118	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+Na"	22.989218
"1607809"	401.099518	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Na"	22.989218
"317843"	390.108547	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+H+Na"	23.996494
"710268"	579.163697	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+H+Na"	23.996494
"1466276"	201.053397	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H+Na"	23.996494
"1060615"	134.371356666667	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2H+Na"	25.00377
"1269955"	411.143786	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+CH3OH+H"	33.033486
"388893"	795.183758	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+K"	38.963158
"747338"	1173.294058	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+K"	38.963158
"1551580"	417.073458	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+K"	38.963158
"313501"	398.095517	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+H+K"	39.970434
"706931"	587.150667	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+H+K"	39.970434
"1457192"	209.040367	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H+K"	39.970434
"247980"	798.254426	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+ACN+H"	42.033826
"1217410"	420.144126	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+ACN+H"	42.033826
"1205666"	210.575701	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+ACN+2H"	43.041102
"195256"	801.19176	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+2Na-H"	44.97116
"639191"	1179.30206	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+2Na-H"	44.97116
"1145976"	423.08146	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2Na-H"	44.97116
"181610"	401.099518	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+2Na"	45.978436
"626273"	590.154668	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+2Na"	45.978436
"1130913"	212.044368	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2Na"	45.978436
"1409292"	141.698670666667	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H+2Na"	46.985712
"1440315"	425.123046	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H+HCOOH"	47.012746
"227824"	406.13254	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+3H2O+2H"	56.04448
"1516979"	439.17509	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+IsoProp+H"	61.06479
"415570"	409.086488	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+Na+K"	61.952376
"774378"	598.141638	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+Na+K"	61.952376
"1668892"	220.031338	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Na+K"	61.952376
"255048"	820.236368	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+ACN+Na"	64.015768
"1235413"	442.126068	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+ACN+Na"	64.015768
"1716645"	442.149593	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+NH4+HCOOH"	64.039293
"1186374"	149.025984666667	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+3Na"	68.967654
"1656268"	447.104988	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Na+HCOOH"	68.994688
"158266"	833.13964	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+2K-H"	76.91904
"602689"	1211.24994	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+2K-H"	76.91904
"1086108"	455.02934	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2K-H"	76.91904
"145111"	417.073458	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"2M+2K"	77.926316
"587952"	606.128608	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"3M+2K"	77.926316
"1075743"	228.018308	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2K"	77.926316
"1105674"	457.043892	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2K+H"	78.933592
"1346432"	457.131507	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+DMSO+H"	79.021207
"1016055"	461.170676	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2ACN+H"	83.060376
"1530901"	462.164308	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+IsoProp+Na+H"	84.054008
"990541"	231.088976	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+2ACN+2H"	84.067652
"1595133"	463.078928	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+K+HCOOH"	84.968628
"1424075"	493.110438	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+H+CF3COOH"	115.000138
"1151084"	251.602251	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+3ACN+2H"	125.094202
"1701729"	510.136985	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+NH4+CF3COOH"	132.026685
"1643944"	515.09238	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+Na+CF3COOH"	136.98208
"1585062"	531.06632	"C10506"	"Millettone"	"C22H18O6"	"378.1103"	"M+K+CF3COOH"	152.95602
"802307"	302.1154	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M"	0
"979125"	283.09701	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-H2O-H"	-19.01839
"68459"	200.402990666667	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M-3H"	-3.021828
"505833"	301.108124	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M-3H"	-3.021828
"886916"	99.6978573333333	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-3H"	-3.021828
"7678"	301.108124	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M-2H"	-2.014552
"442864"	452.165824	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M-2H"	-2.014552
"819572"	150.050424	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-2H"	-2.014552
"86125"	603.223524	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M-H"	-1.007276
"527870"	905.338924	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M-H"	-1.007276
"903487"	301.108124	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-H"	-1.007276
"55674"	620.250071	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M-2H+NH4"	16.019271
"489765"	922.365471	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M-2H+NH4"	16.019271
"870850"	318.134671	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-2H+NH4"	16.019271
"33284"	625.205466	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M-2H+Na"	20.974666
"472844"	927.320866	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M-2H+Na"	20.974666
"849553"	323.090066	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-2H+Na"	20.974666
"1620178"	323.090066	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Na-2H"	20.974666
"98893"	319.096463	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M-H+Cl"	33.962126
"535174"	470.154163	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M-H+Cl"	33.962126
"930145"	168.038763	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-H+Cl"	33.962126
"273074"	639.200202	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+Cl"	34.969402
"662951"	941.315602	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+Cl"	34.969402
"1273287"	337.084802	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Cl"	34.969402
"19007"	641.179406	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M-2H+K"	36.948606
"458570"	943.294806	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M-2H+K"	36.948606
"833944"	339.064006	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-2H+K"	36.948606
"1559865"	339.064006	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+K-2H"	36.948606
"943492"	347.113594	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-H+HCOOH"	44.998194
"363776"	649.229001	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+HCOOH-H"	44.998201
"345726"	663.244651	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+Hac-H"	59.013851
"1493575"	361.129251	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Hac-H"	59.013851
"964035"	369.095551	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-H+NaCOOH"	66.980151
"118412"	337.084802	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+2Cl"	69.938804
"552140"	488.142502	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+2Cl"	69.938804
"1026772"	186.027102	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2Cl"	69.938804
"1248539"	381.034285	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Br"	78.918885
"1308801"	383.090272	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Cl+HCOOH"	80.974872
"1326298"	405.072229	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Cl+NaCOOH"	102.956829
"920637"	415.100986	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M-H+CF3COOH"	112.985586
"1299535"	451.077664	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Cl+CF3COOH"	148.962264
"1375509"	267.102724	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H-2H2O"	-35.012676
"1390823"	285.1127	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H-H2O"	-17.0027
"290511"	605.238076	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+H"	1.007276
"676975"	907.353476	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+H"	1.007276
"1360374"	303.122676	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H"	1.007276
"138729"	303.122676	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+2H"	2.014552
"576103"	454.180376	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+2H"	2.014552
"1044903"	152.064976	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2H"	2.014552
"216083"	202.417542666667	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+3H"	3.021828
"650177"	303.122676	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+3H"	3.021828
"1168668"	101.712409333333	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+3H"	3.021828
"428295"	622.264623	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+NH4"	18.033823
"789289"	924.380023	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+NH4"	18.033823
"1685621"	320.149223	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+NH4"	18.033823
"332806"	311.6359495	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+H+NH4"	19.041099
"735069"	462.6936495	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+H+NH4"	19.041099
"1484515"	160.5782495	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H+NH4"	19.041099
"403195"	627.220018	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+Na"	22.989218
"760910"	929.335418	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+Na"	22.989218
"1612293"	325.104618	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Na"	22.989218
"322329"	314.113647	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+H+Na"	23.996494
"711471"	465.171347	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+H+Na"	23.996494
"1464198"	163.055947	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H+Na"	23.996494
"1057445"	109.039723333333	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2H+Na"	25.00377
"1261312"	335.148886	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+CH3OH+H"	33.033486
"382077"	643.193958	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+K"	38.963158
"747448"	945.309358	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+K"	38.963158
"1553512"	341.078558	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+K"	38.963158
"311787"	322.100617	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+H+K"	39.970434
"707059"	473.158317	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+H+K"	39.970434
"1452928"	171.042917	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H+K"	39.970434
"245903"	646.264626	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+ACN+H"	42.033826
"1222987"	344.149226	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+ACN+H"	42.033826
"1205777"	172.578251	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+ACN+2H"	43.041102
"198648"	649.20196	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+2Na-H"	44.97116
"642219"	951.31736	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+2Na-H"	44.97116
"1143900"	347.08656	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2Na-H"	44.97116
"181720"	325.104618	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+2Na"	45.978436
"624562"	476.162318	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+2Na"	45.978436
"1128066"	174.046918	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2Na"	45.978436
"1408309"	116.367037333333	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H+2Na"	46.985712
"1436051"	349.128146	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H+HCOOH"	47.012746
"223560"	330.13764	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+3H2O+2H"	56.04448
"1515996"	363.18019	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+IsoProp+H"	61.06479
"417868"	333.091588	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+Na+K"	61.952376
"773395"	484.149288	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+Na+K"	61.952376
"1670825"	182.033888	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Na+K"	61.952376
"255158"	668.246568	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+ACN+Na"	64.015768
"1236617"	366.131168	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+ACN+Na"	64.015768
"1722223"	366.154693	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+NH4+HCOOH"	64.039293
"1187578"	123.694351333333	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+3Na"	68.967654
"1660753"	371.110088	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Na+HCOOH"	68.994688
"164332"	681.14984	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+2K-H"	76.91904
"604987"	983.26524	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+2K-H"	76.91904
"1087312"	379.03444	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2K-H"	76.91904
"150689"	341.078558	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"2M+2K"	77.926316
"583688"	492.136258	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"3M+2K"	77.926316
"1079135"	190.020858	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2K"	77.926316
"1106879"	381.048992	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2K+H"	78.933592
"1347637"	381.136607	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+DMSO+H"	79.021207
"1017260"	385.175776	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2ACN+H"	83.060376
"1536479"	386.169408	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+IsoProp+Na+H"	84.054008
"991381"	193.091526	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+2ACN+2H"	84.067652
"1593056"	387.084028	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+K+HCOOH"	84.968628
"1421998"	417.115538	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+H+CF3COOH"	115.000138
"1151193"	213.604801	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+3ACN+2H"	125.094202
"1701839"	434.142085	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+NH4+CF3COOH"	132.026685
"1638582"	439.09748	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+Na+CF3COOH"	136.98208
"1585172"	455.07142	"C10507"	"Mucronulatol"	"C17H18O5"	"302.1154"	"M+K+CF3COOH"	152.95602
"802417"	286.0841	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M"	0
"979235"	267.06571	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"65289"	189.715457333333	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"505943"	285.076824	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"887026"	94.3540906666667	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"7788"	285.076824	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"442974"	428.118874	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"826242"	142.034774	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"89515"	571.160924	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"531261"	857.245024	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"910282"	285.076824	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"60158"	588.187471	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"495707"	874.271571	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"870960"	302.103371	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"38861"	593.142866	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"478421"	879.226966	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"857315"	307.058766	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1625755"	307.058766	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"103376"	303.065163	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"541841"	446.107213	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"934262"	160.023113	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"275372"	607.137602	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"663423"	893.221702	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1275826"	321.053502	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"19117"	609.116806	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"456858"	895.200906	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"834298"	323.032706	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1556695"	323.032706	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"943359"	331.082294	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"362059"	617.166401	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"346676"	631.182051	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1493443"	345.097951	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"963052"	353.064251	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"117429"	321.053502	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"554802"	464.095552	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1026882"	178.011452	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1253752"	365.002985	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1311097"	367.058972	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1326409"	389.040929	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"920747"	399.069686	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1297459"	435.046364	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1373431"	251.071424	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1390933"	269.0814	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"292807"	573.175476	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"679760"	859.259576	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1362670"	287.091376	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"138840"	287.091376	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"578399"	430.133426	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1049387"	144.049326	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"218380"	191.730009333333	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"653567"	287.091376	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1169508"	96.3686426666667	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"430592"	590.202023	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"790492"	876.286123	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1693385"	304.117923	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"340571"	295.6046495	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"736639"	438.6466995	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1489000"	152.5625995	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"405494"	595.157418	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"765396"	881.241518	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1612403"	309.073318	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"322439"	298.082347	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"713768"	441.124397	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1463215"	155.040297	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1060835"	103.695956666667	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1265794"	319.117586	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"382187"	611.131358	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"747558"	897.215458	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1548519"	325.047258	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"312627"	306.069317	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"706509"	449.111367	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1454132"	163.027267	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"244919"	614.202026	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1219817"	328.117926	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1203701"	164.562601	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"198757"	617.13936	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"638318"	903.22346	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1144012"	331.05526	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"180737"	309.073318	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"622484"	452.115368	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1124533"	166.031268	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1407328"	111.023270666667	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1438348"	333.096846	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"226952"	314.10634	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1515014"	347.14889	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"415792"	317.060288	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"773507"	460.102338	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1672028"	174.018238	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"255268"	636.183968	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1231259"	350.099868	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1722333"	350.123393	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1185500"	118.350584666667	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1654301"	355.078788	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"157882"	649.08724	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"602910"	935.17134	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1087422"	363.00314	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"147519"	325.047258	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"585986"	468.089308	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1074872"	182.005208	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1101886"	365.017692	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1343374"	365.105307	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1017372"	369.144476	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1537443"	370.138108	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"1001946"	185.075876	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1597538"	371.052728	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1415907"	401.084238	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1148750"	205.589151	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1697937"	418.110785	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1634802"	423.06618	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1585282"	439.04012	"C10508"	"(-)-Nissolin"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"816628"	430.1264	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M"	0
"982626"	411.10801	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-H2O-H"	-19.01839
"65764"	285.743657333333	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M-3H"	-3.021828
"509335"	429.119124	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M-3H"	-3.021828
"887136"	142.368190666667	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-3H"	-3.021828
"7898"	429.119124	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M-2H"	-2.014552
"444177"	644.182324	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M-2H"	-2.014552
"824165"	214.055924	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-2H"	-2.014552
"87438"	859.245524	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M-H"	-1.007276
"529186"	1289.371924	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M-H"	-1.007276
"905893"	429.119124	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-H"	-1.007276
"59173"	876.272071	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M-2H+NH4"	16.019271
"497276"	1306.398471	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M-2H+NH4"	16.019271
"873257"	446.145671	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-2H+NH4"	16.019271
"40065"	881.227466	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M-2H+Na"	20.974666
"480717"	1311.353866	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M-2H+Na"	20.974666
"857424"	451.101066	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-2H+Na"	20.974666
"1629145"	451.101066	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Na-2H"	20.974666
"103487"	447.107463	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M-H+Cl"	33.962126
"540858"	662.170663	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M-H+Cl"	33.962126
"933645"	232.044263	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-H+Cl"	33.962126
"274024"	895.222202	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+Cl"	34.969402
"663170"	1325.348602	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+Cl"	34.969402
"1275937"	465.095802	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Cl"	34.969402
"17406"	897.201406	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M-2H+K"	36.948606
"456155"	1327.327806	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M-2H+K"	36.948606
"835504"	467.075006	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-2H+K"	36.948606
"1558992"	467.075006	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+K-2H"	36.948606
"942927"	475.124594	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-H+HCOOH"	44.998194
"361543"	905.251001	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+HCOOH-H"	44.998201
"352254"	919.266651	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+Hac-H"	59.013851
"1493432"	489.140251	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Hac-H"	59.013851
"968631"	497.106551	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-H+NaCOOH"	66.980151
"114260"	465.095802	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+2Cl"	69.938804
"560379"	680.159002	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+2Cl"	69.938804
"1028086"	250.032602	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2Cl"	69.938804
"1254592"	509.045285	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Br"	78.918885
"1311207"	511.101272	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Cl+HCOOH"	80.974872
"1324332"	533.083229	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Cl+NaCOOH"	102.956829
"917576"	543.111986	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M-H+CF3COOH"	112.985586
"1296474"	579.088664	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Cl+CF3COOH"	148.962264
"1371355"	395.113724	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H-2H2O"	-35.012676
"1392864"	413.1237	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H-H2O"	-17.0027
"292552"	861.260076	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+H"	1.007276
"684244"	1291.386476	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+H"	1.007276
"1364605"	431.133676	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H"	1.007276
"138586"	431.133676	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+2H"	2.014552
"578147"	646.196876	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+2H"	2.014552
"1049497"	216.070476	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2H"	2.014552
"216669"	287.758209333333	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+3H"	3.021828
"654772"	431.133676	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+3H"	3.021828
"1172898"	144.382742666667	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+3H"	3.021828
"430703"	878.286623	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+NH4"	18.033823
"793884"	1308.413023	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+NH4"	18.033823
"1693496"	448.160223	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+NH4"	18.033823
"345059"	439.6469495	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+H+NH4"	19.041099
"735292"	654.7101495	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+H+NH4"	19.041099
"1490934"	224.5837495	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H+NH4"	19.041099
"404509"	883.242018	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+Na"	22.989218
"765506"	1313.368418	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+Na"	22.989218
"1611421"	453.115618	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Na"	22.989218
"326198"	442.124647	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+H+Na"	23.996494
"709505"	657.187847	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+H+Na"	23.996494
"1466608"	227.061447	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H+Na"	23.996494
"1059852"	151.710056666667	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2H+Na"	25.00377
"1263719"	463.159886	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+CH3OH+H"	33.033486
"383393"	899.215958	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+K"	38.963158
"745482"	1329.342358	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+K"	38.963158
"1553737"	469.089558	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+K"	38.963158
"313103"	450.111617	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+H+K"	39.970434
"706134"	665.174817	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+H+K"	39.970434
"1456428"	235.048417	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H+K"	39.970434
"241751"	902.286626	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+ACN+H"	42.033826
"1221022"	472.160226	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+ACN+H"	42.033826
"1199438"	236.583751	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+ACN+2H"	43.041102
"196681"	905.22396	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+2Na-H"	44.97116
"636240"	1335.35036	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+2Na-H"	44.97116
"1137553"	475.09756	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2Na-H"	44.97116
"184855"	453.115618	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+2Na"	45.978436
"624415"	668.178818	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+2Na"	45.978436
"1125734"	238.052418	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2Na"	45.978436
"1409989"	159.037370666667	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H+2Na"	46.985712
"1436272"	477.139146	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H+HCOOH"	47.012746
"225966"	458.14864	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+3H2O+2H"	56.04448
"1515121"	491.19119	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+IsoProp+H"	61.06479
"411527"	461.102588	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+Na+K"	61.952376
"774714"	676.165788	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+Na+K"	61.952376
"1674693"	246.039388	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Na+K"	61.952376
"257568"	924.268568	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+ACN+Na"	64.015768
"1234286"	494.142168	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+ACN+Na"	64.015768
"1721351"	494.165693	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+NH4+HCOOH"	64.039293
"1181235"	166.364684666667	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+3Na"	68.967654
"1651491"	499.121088	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Na+HCOOH"	68.994688
"157704"	937.17184	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+2K-H"	76.91904
"599737"	1367.29824	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+2K-H"	76.91904
"1089717"	507.04544	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2K-H"	76.91904
"143254"	469.089558	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"2M+2K"	77.926316
"588281"	684.152758	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"3M+2K"	77.926316
"1074982"	254.026358	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2K"	77.926316
"1110013"	509.059992	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2K+H"	78.933592
"1345668"	509.147607	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+DMSO+H"	79.021207
"1015293"	513.186776	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2ACN+H"	83.060376
"1537551"	514.180408	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+IsoProp+Na+H"	84.054008
"991235"	257.097026	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+2ACN+2H"	84.067652
"1593276"	515.095028	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+K+HCOOH"	84.968628
"1417479"	545.126538	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+H+CF3COOH"	115.000138
"1150318"	277.610301	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+3ACN+2H"	125.094202
"1697316"	562.153085	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+NH4+CF3COOH"	132.026685
"1635525"	567.10848	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+Na+CF3COOH"	136.98208
"1582112"	583.08242	"C10509"	"Ononin;Formononetin 7-O-glucoside"	"C22H22O9"	"430.1264"	"M+K+CF3COOH"	152.95602
"809198"	286.0477	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M"	0
"986017"	267.02931	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"75352"	189.691190666667	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"513819"	285.040424	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"890526"	94.3419573333333	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"9102"	285.040424	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"446474"	428.064274	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"823182"	142.016574	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"93505"	571.088124	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"528203"	857.135824	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"906003"	285.040424	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"54909"	588.114671	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"493375"	874.162371	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"873367"	302.066971	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"44550"	593.070066	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"485569"	879.117766	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"859725"	307.022366	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1625978"	307.022366	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"103600"	303.028763	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"539877"	446.052613	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"937768"	160.004913	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"272680"	607.064802	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"665468"	893.112502	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1275322"	321.017102	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"17635"	609.044006	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"461086"	895.091706	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"833667"	322.996306	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1555812"	322.996306	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"944797"	331.045894	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"362281"	617.093601	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"357833"	631.109251	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1503385"	345.061551	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"969834"	353.027851	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"119837"	321.017102	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"560489"	464.040952	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1027102"	177.993252	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1253243"	364.966585	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1306945"	367.022572	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1324440"	389.004529	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"920969"	399.033286	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1297678"	435.009964	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1375838"	251.035024	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1390058"	269.045	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"290841"	573.102676	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"685449"	859.150376	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1360704"	287.054976	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"138331"	287.054976	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"579351"	430.078826	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1045233"	144.031126	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"219817"	191.705742666667	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"659580"	287.054976	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1174100"	96.3565093333333	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"435186"	590.129223	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"791807"	876.176923	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1695428"	304.081523	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"345164"	295.5682495	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"733212"	438.5920995	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1483752"	152.5443995	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"404619"	595.084618	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"762334"	881.132318	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1615543"	309.036918	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"325940"	298.045947	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"712898"	441.069797	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1471094"	155.022097	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1063246"	103.683823333333	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1268932"	319.081186	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"385690"	611.058558	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"752151"	897.106258	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1551653"	325.010858	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"304820"	306.032917	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"704905"	449.056767	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1452164"	163.009067	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"241861"	614.129226	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1217853"	328.081526	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1200641"	164.544401	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"195698"	617.06656	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"640359"	903.11426	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1143134"	331.01886	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"185698"	309.036918	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"626717"	452.060768	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1124389"	166.013068	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1409371"	111.011137333333	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1441123"	333.060446	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"231183"	314.06994	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1521067"	347.11249	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"418931"	317.023888	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"780659"	460.047738	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1674804"	174.000038	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"261325"	636.111168	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1237679"	350.063468	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1723649"	350.086993	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1186449"	118.338451333333	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1656704"	355.042388	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"161379"	649.01444	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"602033"	935.06214	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1092743"	362.96674	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"146644"	325.010858	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"588391"	468.034708	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1078372"	181.987008	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1112675"	364.981292	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1345415"	365.068907	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1016133"	369.108076	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1534623"	370.101708	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"996694"	185.057676	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1597759"	371.016328	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1415157"	401.047838	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1147875"	205.570951	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1697547"	418.074385	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1635635"	423.02978	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1582222"	439.00372	"C10510"	"Orobol"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"802747"	404.1624	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M"	0
"982846"	385.14401	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-H2O-H"	-19.01839
"63797"	268.434324	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M-3H"	-3.021828
"509555"	403.155124	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M-3H"	-3.021828
"885170"	133.713524	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-3H"	-3.021828
"3015"	403.155124	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M-2H"	-2.014552
"440629"	605.236324	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M-2H"	-2.014552
"820012"	201.073924	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-2H"	-2.014552
"85472"	807.317524	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M-H"	-1.007276
"526125"	1211.479924	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M-H"	-1.007276
"905019"	403.155124	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-H"	-1.007276
"55019"	824.344071	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M-2H+NH4"	16.019271
"493485"	1228.506471	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M-2H+NH4"	16.019271
"872383"	420.181671	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-2H+NH4"	16.019271
"44660"	829.299466	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M-2H+Na"	20.974666
"483126"	1233.461866	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M-2H+Na"	20.974666
"853274"	425.137066	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-2H+Na"	20.974666
"1624994"	425.137066	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Na-2H"	20.974666
"98243"	421.143463	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M-H+Cl"	33.962126
"536708"	623.224663	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M-H+Cl"	33.962126
"934598"	219.062263	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-H+Cl"	33.962126
"273154"	843.294202	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+Cl"	34.969402
"664484"	1247.456602	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+Cl"	34.969402
"1274339"	439.131802	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Cl"	34.969402
"17625"	845.273406	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M-2H+K"	36.948606
"461194"	1249.435806	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M-2H+K"	36.948606
"834384"	441.111006	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-2H+K"	36.948606
"1556044"	441.111006	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+K-2H"	36.948606
"943083"	449.160594	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-H+HCOOH"	44.998194
"364215"	853.323001	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+HCOOH-H"	44.998201
"356850"	867.338651	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+Hac-H"	59.013851
"1502401"	463.176251	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Hac-H"	59.013851
"972861"	471.142551	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-H+NaCOOH"	66.980151
"119946"	439.131802	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+2Cl"	69.938804
"558412"	641.213002	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+2Cl"	69.938804
"1027212"	237.050602	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2Cl"	69.938804
"1254083"	483.081285	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Br"	78.918885
"1313614"	485.137272	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Cl+HCOOH"	80.974872
"1326738"	507.119229	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Cl+NaCOOH"	102.956829
"917798"	517.147986	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M-H+CF3COOH"	112.985586
"1298881"	553.124664	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Cl+CF3COOH"	148.962264
"1377043"	369.149724	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H-2H2O"	-35.012676
"1390168"	387.1597	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H-H2O"	-17.0027
"292774"	809.332076	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+H"	1.007276
"683372"	1213.494476	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+H"	1.007276
"1363733"	405.169676	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H"	1.007276
"138079"	405.169676	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+2H"	2.014552
"576910"	607.250876	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+2H"	2.014552
"1049720"	203.088476	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2H"	2.014552
"219077"	270.448876	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+3H"	3.021828
"657545"	405.169676	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+3H"	3.021828
"1177856"	135.728076	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+3H"	3.021828
"433110"	826.358623	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+NH4"	18.033823
"791917"	1230.521023	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+NH4"	18.033823
"1693352"	422.196223	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+NH4"	18.033823
"343088"	413.6829495	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+H+NH4"	19.041099
"734416"	615.7641495	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+H+NH4"	19.041099
"1482769"	211.6017495	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H+NH4"	19.041099
"402543"	831.314018	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+Na"	22.989218
"762444"	1235.476418	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+Na"	22.989218
"1616746"	427.151618	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Na"	22.989218
"324957"	416.160647	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+H+Na"	23.996494
"711915"	618.241847	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+H+Na"	23.996494
"1469018"	214.079447	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H+Na"	23.996494
"1064450"	143.05539	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2H+Na"	25.00377
"1271593"	437.195886	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+CH3OH+H"	33.033486
"386893"	847.287958	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+K"	38.963158
"747888"	1251.450358	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+K"	38.963158
"1549941"	443.125558	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+K"	38.963158
"308211"	424.147617	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+H+K"	39.970434
"700997"	626.228817	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+H+K"	39.970434
"1448993"	222.066417	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H+K"	39.970434
"239784"	850.358626	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+ACN+H"	42.033826
"1215773"	446.196226	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+ACN+H"	42.033826
"1200750"	223.601751	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+ACN+2H"	43.041102
"192528"	853.29596	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+2Na-H"	44.97116
"638647"	1257.45836	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+2Na-H"	44.97116
"1141056"	449.13356	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2Na-H"	44.97116
"184712"	427.151618	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+2Na"	45.978436
"624637"	629.232818	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+2Na"	45.978436
"1124134"	225.070418	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2Na"	45.978436
"1403283"	150.382704	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H+2Na"	46.985712
"1436493"	451.175146	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H+HCOOH"	47.012746
"228375"	432.18464	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+3H2O+2H"	56.04448
"1516436"	465.22719	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+IsoProp+H"	61.06479
"416123"	435.138588	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+Na+K"	61.952376
"777121"	637.219788	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+Na+K"	61.952376
"1677104"	233.057388	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Na+K"	61.952376
"261435"	872.340568	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+ACN+Na"	64.015768
"1236696"	468.178168	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+ACN+Na"	64.015768
"1724124"	468.201693	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+NH4+HCOOH"	64.039293
"1184737"	157.710018	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+3Na"	68.967654
"1654628"	473.157088	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Na+HCOOH"	68.994688
"165863"	885.24384	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+2K-H"	76.91904
"605424"	1289.40624	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+2K-H"	76.91904
"1092854"	481.08144	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2K-H"	76.91904
"146754"	443.125558	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"2M+2K"	77.926316
"588501"	645.206758	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"3M+2K"	77.926316
"1078482"	241.044358	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2K"	77.926316
"1110234"	483.095992	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2K+H"	78.933592
"1348440"	483.183607	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+DMSO+H"	79.021207
"1017337"	487.222776	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2ACN+H"	83.060376
"1533641"	488.216408	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+IsoProp+Na+H"	84.054008
"996804"	244.115026	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+2ACN+2H"	84.067652
"1594589"	489.131028	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+K+HCOOH"	84.968628
"1418065"	519.162538	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+H+CF3COOH"	115.000138
"1149442"	264.628301	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+3ACN+2H"	125.094202
"1697291"	536.189085	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+NH4+CF3COOH"	132.026685
"1634263"	541.14448	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+Na+CF3COOH"	136.98208
"1582332"	557.11842	"C10511"	"Osajin"	"C25H24O5"	"404.1624"	"M+K+CF3COOH"	152.95602
"806137"	366.074	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M"	0
"985145"	347.05561	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-H2O-H"	-19.01839
"69011"	243.042057333333	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M-3H"	-3.021828
"509665"	365.066724	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M-3H"	-3.021828
"885279"	121.017390666667	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-3H"	-3.021828
"7134"	365.066724	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M-2H"	-2.014552
"444506"	548.103724	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M-2H"	-2.014552
"823403"	182.029724	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-2H"	-2.014552
"86676"	731.140724	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M-H"	-1.007276
"527329"	1097.214724	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M-H"	-1.007276
"905130"	365.066724	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-H"	-1.007276
"57317"	748.167271	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M-2H+NH4"	16.019271
"500157"	1114.241271	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M-2H+NH4"	16.019271
"873586"	382.093271	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-2H+NH4"	16.019271
"45502"	753.122666	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M-2H+Na"	20.974666
"484329"	1119.196666	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M-2H+Na"	20.974666
"856664"	387.048666	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-2H+Na"	20.974666
"1629477"	387.048666	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Na-2H"	20.974666
"102726"	383.055063	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M-H+Cl"	33.962126
"536091"	566.092063	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M-H+Cl"	33.962126
"932522"	200.018063	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-H+Cl"	33.962126
"270351"	767.117402	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+Cl"	34.969402
"667875"	1133.191402	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+Cl"	34.969402
"1280281"	401.043402	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Cl"	34.969402
"17735"	769.096606	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M-2H+K"	36.948606
"459117"	1135.170606	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M-2H+K"	36.948606
"839112"	403.022606	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-2H+K"	36.948606
"1556766"	403.022606	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+K-2H"	36.948606
"950484"	411.072194	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-H+HCOOH"	44.998194
"366512"	777.146201	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+HCOOH-H"	44.998201
"357689"	791.161851	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+Hac-H"	59.013851
"1499231"	425.087851	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Hac-H"	59.013851
"972971"	433.054151	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-H+NaCOOH"	66.980151
"120055"	401.043402	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+2Cl"	69.938804
"561804"	584.080402	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+2Cl"	69.938804
"1027322"	218.006402	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2Cl"	69.938804
"1254558"	444.992885	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Br"	78.918885
"1312632"	447.048872	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Cl+HCOOH"	80.974872
"1326850"	469.030829	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Cl+NaCOOH"	102.956829
"924468"	479.059586	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M-H+CF3COOH"	112.985586
"1300086"	515.036264	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Cl+CF3COOH"	148.962264
"1381411"	331.061324	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H-2H2O"	-35.012676
"1390278"	349.0713	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H-H2O"	-17.0027
"294706"	733.155276	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+H"	1.007276
"685305"	1099.229276	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+H"	1.007276
"1360924"	367.081276	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H"	1.007276
"135635"	367.081276	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+2H"	2.014552
"578479"	550.118276	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+2H"	2.014552
"1045454"	184.044276	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2H"	2.014552
"217972"	245.056609333333	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+3H"	3.021828
"652915"	367.081276	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+3H"	3.021828
"1173956"	123.031942666667	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+3H"	3.021828
"428845"	750.181823	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+NH4"	18.033823
"792027"	1116.255823	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+NH4"	18.033823
"1694191"	384.107823	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+NH4"	18.033823
"339916"	375.5945495	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+H+NH4"	19.041099
"727963"	558.6315495	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+H+NH4"	19.041099
"1481784"	192.5575495	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H+NH4"	19.041099
"397182"	755.137218	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+Na"	22.989218
"759270"	1121.211218	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+Na"	22.989218
"1617706"	389.063218	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Na"	22.989218
"327620"	378.072247	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+H+Na"	23.996494
"713114"	561.109247	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+H+Na"	23.996494
"1464751"	195.035247	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H+Na"	23.996494
"1057998"	130.359256666667	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2H+Na"	25.00377
"1266238"	399.107486	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+CH3OH+H"	33.033486
"383720"	771.111158	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+K"	38.963158
"746904"	1137.185158	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+K"	38.963158
"1543490"	405.037158	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+K"	38.963158
"302486"	386.059217	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+H+K"	39.970434
"697459"	569.096217	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+H+K"	39.970434
"1446916"	203.022217	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H+K"	39.970434
"240982"	774.181826	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+ACN+H"	42.033826
"1216972"	408.107826	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+ACN+H"	42.033826
"1200852"	204.557551	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+ACN+2H"	43.041102
"192631"	777.11916	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+2Na-H"	44.97116
"637659"	1143.19316	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+2Na-H"	44.97116
"1138974"	411.04516	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2Na-H"	44.97116
"177893"	389.063218	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+2Na"	45.978436
"619641"	572.100218	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+2Na"	45.978436
"1119866"	206.026218	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2Na"	45.978436
"1399745"	137.686570666667	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H+2Na"	46.985712
"1432227"	413.086746	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H+HCOOH"	47.012746
"222649"	394.09624	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+3H2O+2H"	56.04448
"1511080"	427.13879	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+IsoProp+H"	61.06479
"415144"	397.050188	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+Na+K"	61.952376
"778329"	580.087188	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+Na+K"	61.952376
"1674660"	214.013188	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Na+K"	61.952376
"256805"	796.163768	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+ACN+Na"	64.015768
"1233888"	430.089768	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+ACN+Na"	64.015768
"1721681"	430.113293	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+NH4+HCOOH"	64.039293
"1184849"	145.013884666667	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+3Na"	68.967654
"1659114"	435.068688	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Na+HCOOH"	68.994688
"166706"	809.06704	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+2K-H"	76.91904
"601164"	1175.14104	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+2K-H"	76.91904
"1085431"	442.99304	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2K-H"	76.91904
"147959"	405.037158	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"2M+2K"	77.926316
"586426"	588.074158	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"3M+2K"	77.926316
"1072031"	222.000158	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2K"	77.926316
"1113624"	445.007592	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2K+H"	78.933592
"1347822"	445.095207	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+DMSO+H"	79.021207
"1013436"	449.134376	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2ACN+H"	83.060376
"1527188"	450.128008	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+IsoProp+Na+H"	84.054008
"994731"	225.070826	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+2ACN+2H"	84.067652
"1594702"	451.042628	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+K+HCOOH"	84.968628
"1418175"	481.074138	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+H+CF3COOH"	115.000138
"1147491"	245.584101	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+3ACN+2H"	125.094202
"1697652"	498.100685	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+NH4+CF3COOH"	132.026685
"1641324"	503.05608	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+Na+CF3COOH"	136.98208
"1582442"	519.03002	"C10512"	"Pachyrrhizone"	"C20H14O7"	"366.074"	"M+K+CF3COOH"	152.95602
"802967"	594.1585	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M"	0
"987441"	575.14011	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"72402"	395.098390666667	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"514151"	593.151224	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"891950"	197.045557333333	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"6152"	593.151224	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"443525"	890.230474	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"825701"	296.071974	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"84599"	1187.309724	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"528532"	1781.468224	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"908520"	593.151224	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"57427"	1204.336271	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"496987"	1798.494771	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"876977"	610.177771	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"46223"	1209.291666	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"484078"	1803.450166	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"856775"	615.133166	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1631411"	615.133166	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"103930"	611.139563	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"538025"	908.218813	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"931903"	314.060313	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"272284"	1223.286402	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"663614"	1817.444902	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1277111"	629.127902	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"16263"	1225.265606	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"457042"	1819.424106	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"832830"	631.107106	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1556510"	631.107106	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"947676"	639.156694	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"364799"	1233.315201	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"349778"	1247.330851	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1499341"	653.172351	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"970165"	661.138651	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"117978"	629.127902	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"559727"	926.207152	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1027432"	332.048652	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1254668"	673.077385	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1314930"	675.133372	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1329147"	697.115329	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"922392"	707.144086	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1301654"	743.120764	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1381640"	559.145824	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1396951"	577.1558	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"295548"	1189.324276	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"688698"	1783.482776	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1361402"	595.165776	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"135748"	595.165776	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"580049"	892.245026	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1049941"	298.086526	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"216017"	397.112942666667	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"655942"	595.165776	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1174067"	199.060109333333	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"425676"	1206.350823	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"792138"	1800.509323	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1691386"	612.192323	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"341485"	603.6790495	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"730260"	900.7582995	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1482987"	306.5997995	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"399481"	1211.306218	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"761569"	1805.464718	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1617577"	617.147718	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"328096"	606.156747	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"712132"	903.235997	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1469235"	309.077497	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1058108"	206.387423333333	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1263067"	627.191986	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"387840"	1227.280158	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"741547"	1821.438658	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1546880"	633.121658	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"300775"	614.143717	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"694289"	911.222967	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1457960"	317.064467	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"236235"	1230.350826	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1214894"	636.192326	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1202055"	318.599801	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"194929"	1233.28816	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"634488"	1827.44666	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1135441"	639.12966	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"179097"	617.147718	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"618657"	914.226968	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1117791"	320.068468	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1403500"	213.714737333333	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1433430"	641.171246	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"223125"	622.18074	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1514471"	655.22329	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"415254"	625.134688	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"778439"	922.213938	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1672585"	328.055438	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"262020"	1252.332768	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1236919"	658.174268	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1723981"	658.197793	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1193797"	221.042051333333	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1660321"	663.153188	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"168275"	1265.23604	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"604554"	1859.39454	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1089066"	671.07754	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"151350"	633.121658	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"587631"	930.200908	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1077610"	336.042408	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1113006"	673.092092	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1347202"	673.179707	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1015733"	677.218876	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1530578"	678.212508	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"998121"	339.113076	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1595905"	679.127128	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1416097"	709.158638	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1147600"	359.626351	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1700313"	726.185185	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1641434"	731.14058	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1582552"	747.11452	"C10513"	"Paniculatin"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"811825"	322.1205	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M"	0
"983176"	303.10211	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-H2O-H"	-19.01839
"69231"	213.739724	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M-3H"	-3.021828
"513165"	321.113224	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M-3H"	-3.021828
"887684"	106.366224	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-3H"	-3.021828
"8446"	321.113224	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M-2H"	-2.014552
"445821"	482.173474	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M-2H"	-2.014552
"827998"	160.052974	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-2H"	-2.014552
"86897"	643.233724	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M-H"	-1.007276
"528643"	965.354224	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M-H"	-1.007276
"906444"	321.113224	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-H"	-1.007276
"55351"	660.260271	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M-2H+NH4"	16.019271
"497097"	982.380771	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M-2H+NH4"	16.019271
"875993"	338.139771	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-2H+NH4"	16.019271
"46656"	665.215666	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M-2H+Na"	20.974666
"481270"	987.336166	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M-2H+Na"	20.974666
"857979"	343.095166	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-2H+Na"	20.974666
"1628605"	343.095166	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Na-2H"	20.974666
"100761"	339.101563	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M-H+Cl"	33.962126
"535948"	500.161813	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M-H+Cl"	33.962126
"930920"	178.041313	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-H+Cl"	33.962126
"271302"	679.210402	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+Cl"	34.969402
"667005"	1001.330902	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+Cl"	34.969402
"1277222"	357.089902	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Cl"	34.969402
"17593"	681.189606	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M-2H+K"	36.948606
"458247"	1003.310106	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M-2H+K"	36.948606
"836051"	359.069106	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-2H+K"	36.948606
"1557716"	359.069106	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+K-2H"	36.948606
"949609"	367.118694	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-H+HCOOH"	44.998194
"366732"	689.239201	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+HCOOH-H"	44.998201
"349524"	703.254851	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+Hac-H"	59.013851
"1499451"	381.134351	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Hac-H"	59.013851
"973192"	389.100651	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-H+NaCOOH"	66.980151
"118089"	357.089902	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+2Cl"	69.938804
"559837"	518.150152	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+2Cl"	69.938804
"1027542"	196.029652	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2Cl"	69.938804
"1253683"	401.039385	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Br"	78.918885
"1308479"	403.095372	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Cl+HCOOH"	80.974872
"1323789"	425.077329	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Cl+NaCOOH"	102.956829
"925056"	435.106086	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M-H+CF3COOH"	112.985586
"1300305"	471.082764	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Cl+CF3COOH"	148.962264
"1376279"	287.107824	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H-2H2O"	-35.012676
"1396333"	305.1178	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H-H2O"	-17.0027
"297481"	645.248276	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+H"	1.007276
"687715"	967.368776	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+H"	1.007276
"1361146"	323.127776	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H"	1.007276
"139505"	323.127776	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+2H"	2.014552
"580159"	484.188026	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+2H"	2.014552
"1050779"	162.067526	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2H"	2.014552
"217950"	215.754276	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+3H"	3.021828
"657388"	323.127776	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+3H"	3.021828
"1176242"	108.380776	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+3H"	3.021828
"429065"	662.274823	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+NH4"	18.033823
"794434"	984.395323	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+NH4"	18.033823
"1691860"	340.154323	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+NH4"	18.033823
"340137"	331.6410495	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+H+NH4"	19.041099
"732556"	492.7012995	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+H+NH4"	19.041099
"1485283"	170.5807995	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H+NH4"	19.041099
"397405"	667.230218	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+Na"	22.989218
"760586"	989.350718	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+Na"	22.989218
"1618094"	345.109718	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Na"	22.989218
"327841"	334.118747	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+H+Na"	23.996494
"714431"	495.178997	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+H+Na"	23.996494
"1467160"	173.058497	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H+Na"	23.996494
"1056032"	115.70809	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2H+Na"	25.00377
"1264274"	355.153986	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+CH3OH+H"	33.033486
"386128"	683.204158	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+K"	38.963158
"742751"	1005.324658	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+K"	38.963158
"1546991"	361.083658	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+K"	38.963158
"305260"	342.105717	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+H+K"	39.970434
"698775"	503.165967	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+H+K"	39.970434
"1458798"	181.045467	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H+K"	39.970434
"236461"	686.274826	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+ACN+H"	42.033826
"1213910"	364.154326	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+ACN+H"	42.033826
"1197793"	182.580801	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+ACN+2H"	43.041102
"190664"	689.21216	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+2Na-H"	44.97116
"633505"	1011.33266	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+2Na-H"	44.97116
"1133729"	367.09166	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2Na-H"	44.97116
"178113"	345.109718	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+2Na"	45.978436
"615850"	506.169968	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+2Na"	45.978436
"1116804"	184.049468	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2Na"	45.978436
"1401423"	123.035404	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H+2Na"	46.985712
"1431353"	369.133246	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H+HCOOH"	47.012746
"222142"	350.14274	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+3H2O+2H"	56.04448
"1508827"	383.18529	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+IsoProp+H"	61.06479
"416458"	353.096688	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+Na+K"	61.952376
"781830"	514.156938	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+Na+K"	61.952376
"1673788"	192.036438	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Na+K"	61.952376
"263952"	708.256768	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+ACN+Na"	64.015768
"1236296"	386.136268	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+ACN+Na"	64.015768
"1724091"	386.159793	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+NH4+HCOOH"	64.039293
"1187258"	130.362718	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+3Na"	68.967654
"1657151"	391.115188	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Na+HCOOH"	68.994688
"165104"	721.16004	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+2K-H"	76.91904
"603571"	1043.28054	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+2K-H"	76.91904
"1092456"	399.03954	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2K-H"	76.91904
"148180"	361.083658	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"2M+2K"	77.926316
"587740"	522.143908	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"3M+2K"	77.926316
"1078813"	200.023408	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2K"	77.926316
"1114209"	401.054092	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2K+H"	78.933592
"1344033"	401.141707	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+DMSO+H"	79.021207
"1014750"	405.180876	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2ACN+H"	83.060376
"1531782"	406.174508	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+IsoProp+Na+H"	84.054008
"998231"	203.094076	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+2ACN+2H"	84.067652
"1596016"	407.089128	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+K+HCOOH"	84.968628
"1419490"	437.120638	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+H+CF3COOH"	115.000138
"1149779"	223.607351	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+3ACN+2H"	125.094202
"1700423"	454.147185	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+NH4+CF3COOH"	132.026685
"1634983"	459.10258	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+Na+CF3COOH"	136.98208
"1582662"	475.07652	"C10514"	"(-)-Phaseollin;Phaseolin"	"C20H18O4"	"322.1205"	"M+K+CF3COOH"	152.95602
"803187"	324.1362	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M"	0
"983286"	305.11781	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-H2O-H"	-19.01839
"69341"	215.083524	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M-3H"	-3.021828
"513275"	323.128924	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M-3H"	-3.021828
"891074"	107.038124	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-3H"	-3.021828
"8555"	323.128924	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M-2H"	-2.014552
"449210"	485.197024	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M-2H"	-2.014552
"827013"	161.060824	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-2H"	-2.014552
"87007"	647.265124	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M-H"	-1.007276
"525472"	971.401324	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M-H"	-1.007276
"908376"	323.128924	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-H"	-1.007276
"57648"	664.291671	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M-2H+NH4"	16.019271
"495020"	988.427871	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M-2H+NH4"	16.019271
"877196"	340.155471	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-2H+NH4"	16.019271
"45099"	669.247066	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M-2H+Na"	20.974666
"484660"	993.383266	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M-2H+Na"	20.974666
"858089"	345.110866	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-2H+Na"	20.974666
"1632725"	345.110866	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Na-2H"	20.974666
"103056"	341.117263	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M-H+Cl"	33.962126
"538246"	503.185363	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M-H+Cl"	33.962126
"930666"	179.049163	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-H+Cl"	33.962126
"272505"	683.241802	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+Cl"	34.969402
"667115"	1007.378002	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+Cl"	34.969402
"1277331"	359.105602	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Cl"	34.969402
"16849"	685.221006	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M-2H+K"	36.948606
"458357"	1009.357206	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M-2H+K"	36.948606
"833847"	361.084806	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-2H+K"	36.948606
"1559649"	361.084806	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+K-2H"	36.948606
"949719"	369.134394	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-H+HCOOH"	44.998194
"365020"	693.270601	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+HCOOH-H"	44.998201
"349634"	707.286251	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+Hac-H"	59.013851
"1500654"	383.150051	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Hac-H"	59.013851
"971478"	391.116351	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-H+NaCOOH"	66.980151
"118199"	359.105602	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+2Cl"	69.938804
"561040"	521.173702	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+2Cl"	69.938804
"1027652"	197.037502	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2Cl"	69.938804
"1248326"	403.055085	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Br"	78.918885
"1311868"	405.111072	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Cl+HCOOH"	80.974872
"1325355"	427.093029	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Cl+NaCOOH"	102.956829
"922613"	437.121786	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M-H+CF3COOH"	112.985586
"1298228"	473.098464	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Cl+CF3COOH"	148.962264
"1376389"	289.123524	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H-2H2O"	-35.012676
"1389515"	307.1335	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H-H2O"	-17.0027
"297953"	649.279676	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+H"	1.007276
"690378"	973.415876	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+H"	1.007276
"1364174"	325.143476	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H"	1.007276
"139251"	325.143476	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+2H"	2.014552
"579175"	487.211576	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+2H"	2.014552
"1047973"	163.075376	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2H"	2.014552
"216968"	217.098076	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+3H"	3.021828
"655069"	325.143476	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+3H"	3.021828
"1175016"	109.052676	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+3H"	3.021828
"432456"	666.306223	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+NH4"	18.033823
"793450"	990.442423	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+NH4"	18.033823
"1691971"	342.170023	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+NH4"	18.033823
"339154"	333.6567495	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+H+NH4"	19.041099
"728294"	495.7248495	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+H+NH4"	19.041099
"1482114"	171.5886495	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H+NH4"	19.041099
"397515"	671.261618	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+Na"	22.989218
"760696"	995.397818	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+Na"	22.989218
"1618119"	347.125418	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Na"	22.989218
"327219"	336.134447	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+H+Na"	23.996494
"714541"	498.202547	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+H+Na"	23.996494
"1472739"	174.066347	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H+Na"	23.996494
"1055049"	116.37999	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2H+Na"	25.00377
"1265477"	357.169686	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+CH3OH+H"	33.033486
"389519"	687.235558	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+K"	38.963158
"746142"	1011.371758	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+K"	38.963158
"1550382"	363.099358	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+K"	38.963158
"308650"	344.121417	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+H+K"	39.970434
"698885"	506.189517	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+H+K"	39.970434
"1458547"	182.053317	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H+K"	39.970434
"247875"	690.306226	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+ACN+H"	42.033826
"1216211"	366.170026	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+ACN+H"	42.033826
"1197905"	183.588651	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+ACN+2H"	43.041102
"192963"	693.24356	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+2Na-H"	44.97116
"634709"	1017.37976	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+2Na-H"	44.97116
"1133842"	369.10736	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2Na-H"	44.97116
"177131"	347.125418	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+2Na"	45.978436
"615598"	509.193518	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+2Na"	45.978436
"1116551"	185.057318	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2Na"	45.978436
"1399468"	123.707304	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H+2Na"	46.985712
"1430486"	371.148946	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H+HCOOH"	47.012746
"220119"	352.15844	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+3H2O+2H"	56.04448
"1511412"	385.20099	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+IsoProp+H"	61.06479
"415474"	355.112388	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+Na+K"	61.952376
"783033"	517.180488	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+Na+K"	61.952376
"1669526"	193.044288	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Na+K"	61.952376
"257138"	712.288168	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+ACN+Na"	64.015768
"1233127"	388.151968	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+ACN+Na"	64.015768
"1720920"	388.175493	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+NH4+HCOOH"	64.039293
"1187368"	131.034618	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+3Na"	68.967654
"1661634"	393.130888	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Na+HCOOH"	68.994688
"161934"	725.19144	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+2K-H"	76.91904
"602587"	1049.32764	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+2K-H"	76.91904
"1091473"	401.05524	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2K-H"	76.91904
"150477"	363.099358	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"2M+2K"	77.926316
"588943"	525.167458	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"3M+2K"	77.926316
"1075643"	201.031258	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2K"	77.926316
"1114686"	403.069792	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2K+H"	78.933592
"1343050"	403.157407	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+DMSO+H"	79.021207
"1018140"	407.196576	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2ACN+H"	83.060376
"1529705"	408.190208	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+IsoProp+Na+H"	84.054008
"994695"	204.101926	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+2ACN+2H"	84.067652
"1596126"	409.104828	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+K+HCOOH"	84.968628
"1420693"	439.136338	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+H+CF3COOH"	115.000138
"1150982"	224.615201	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+3ACN+2H"	125.094202
"1700533"	456.162885	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+NH4+CF3COOH"	132.026685
"1635093"	461.11828	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+Na+CF3COOH"	136.98208
"1582772"	477.09222	"C10515"	"(-)-Phaseollinisoflavan"	"C20H20O4"	"324.1362"	"M+K+CF3COOH"	152.95602
"804025"	314.079	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M"	0
"984489"	295.06061	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"66171"	208.378724	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"513385"	313.071724	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"891184"	103.685724	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"8665"	313.071724	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"448225"	470.111224	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"824935"	156.032224	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"89303"	627.150724	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"526674"	941.229724	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"904475"	313.071724	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"55572"	644.177271	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"496222"	958.256271	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"876213"	330.098271	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"40834"	649.132666	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"481487"	963.211666	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"856010"	335.053666	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1627730"	335.053666	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"103166"	331.060063	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"547103"	488.099563	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"932962"	174.020563	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"270428"	663.127402	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"667224"	977.206402	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1276345"	349.048402	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"18902"	665.106606	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"458467"	979.185606	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"834442"	351.027606	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1560123"	351.027606	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"950922"	359.077194	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"365494"	673.156201	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"350108"	687.171851	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1500764"	373.092851	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"969400"	381.059151	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"118309"	349.048402	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"555682"	506.087902	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1027762"	192.008902	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1251716"	392.997885	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1311978"	395.053872	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1325830"	417.035829	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"919442"	427.064586	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1297245"	463.041264	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1375405"	279.066324	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1389625"	297.0763	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"298186"	629.165276	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"691055"	943.244276	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1366106"	315.086276	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H"	1.007276
"138995"	315.086276	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"579284"	472.125776	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1045894"	158.046776	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"217078"	210.393276	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"656273"	315.086276	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1174761"	105.700276	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"432566"	646.191823	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"791373"	960.270823	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1687707"	332.112823	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"339264"	323.5995495	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"730590"	480.6390495	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1485503"	166.5600495	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"398718"	651.147218	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"761899"	965.226218	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1618342"	337.068218	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"327329"	326.077247	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"717931"	483.116747	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1472849"	169.037747	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1056252"	113.02759	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1262307"	347.112486	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"389629"	667.121158	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"746252"	981.200158	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1553044"	353.042158	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+K"	38.963158
"308760"	334.064217	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"698995"	491.103717	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1459387"	177.024717	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"250171"	670.191826	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1218508"	356.112826	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1198014"	178.560051	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"195259"	673.12916	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"631540"	987.20816	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1132979"	359.05016	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"177241"	337.068218	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"614615"	494.107718	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1116902"	180.028718	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1400550"	120.354904	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1431570"	361.091746	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"223454"	342.10124	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1513707"	375.14379	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"414490"	345.055188	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"780956"	502.094688	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1671822"	188.015688	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"260528"	692.173768	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1236517"	378.094768	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1723217"	378.118293	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1190758"	127.682218	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1661744"	383.073688	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"160951"	705.07704	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"604884"	1019.15604	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1089397"	390.99804	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"149493"	353.042158	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"589053"	510.081658	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1075752"	196.002658	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1113335"	393.012592	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1342067"	393.100207	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1017157"	397.139376	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1529815"	398.133008	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"994077"	199.073326	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1596236"	399.047628	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1415700"	429.079138	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1151092"	219.586601	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1700643"	446.105685	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1638483"	451.06108	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1582882"	467.03502	"C10516"	"Pisatin;()-Pisatin"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"803407"	334.0665	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M"	0
"983506"	315.04811	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H2O-H"	-19.01839
"65551"	221.703724	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-3H"	-3.021828
"513495"	333.059224	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-3H"	-3.021828
"890202"	110.348224	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-3H"	-3.021828
"9868"	333.059224	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H"	-2.014552
"447242"	500.092474	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H"	-2.014552
"823952"	166.025974	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H"	-2.014552
"87225"	667.125724	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-H"	-1.007276
"523505"	1001.192224	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-H"	-1.007276
"902399"	333.059224	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H"	-1.007276
"55682"	684.152271	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+NH4"	16.019271
"495239"	1018.218771	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+NH4"	16.019271
"874866"	350.085771	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+NH4"	16.019271
"40944"	689.107666	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+Na"	20.974666
"480504"	1023.174166	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+Na"	20.974666
"856120"	355.041166	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+Na"	20.974666
"1626747"	355.041166	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na-2H"	20.974666
"103276"	351.047563	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-H+Cl"	33.962126
"542839"	518.080813	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-H+Cl"	33.962126
"930885"	184.014313	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+Cl"	33.962126
"271630"	703.102402	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Cl"	34.969402
"667332"	1037.168902	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Cl"	34.969402
"1275728"	369.035902	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl"	34.969402
"19013"	705.081606	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M-2H+K"	36.948606
"458577"	1039.148106	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M-2H+K"	36.948606
"833338"	371.015106	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-2H+K"	36.948606
"1556097"	371.015106	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K-2H"	36.948606
"948116"	379.064694	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+HCOOH"	44.998194
"364875"	713.131201	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+HCOOH-H"	44.998201
"350946"	727.146851	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Hac-H"	59.013851
"1498687"	393.080351	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Hac-H"	59.013851
"966229"	401.046651	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+NaCOOH"	66.980151
"118419"	369.035902	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Cl"	69.938804
"554698"	536.069152	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Cl"	69.938804
"1024956"	202.002652	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Cl"	69.938804
"1251826"	412.985385	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Br"	78.918885
"1309536"	415.041372	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+HCOOH"	80.974872
"1326669"	437.023329	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+NaCOOH"	102.956829
"920645"	447.052086	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M-H+CF3COOH"	112.985586
"1298448"	483.028764	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Cl+CF3COOH"	148.962264
"1375515"	299.053824	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H-2H2O"	-35.012676
"1391921"	317.0638	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H-H2O"	-17.0027
"298218"	669.140276	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H"	1.007276
"691318"	1003.206776	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H"	1.007276
"1366907"	335.073776	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H"	1.007276
"138377"	335.073776	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2H"	2.014552
"579760"	502.107026	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2H"	2.014552
"1050379"	168.040526	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2H"	2.014552
"219618"	223.718276	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+3H"	3.021828
"657112"	335.073776	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+3H"	3.021828
"1175602"	112.362776	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3H"	3.021828
"431583"	686.166823	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+NH4"	18.033823
"792576"	1020.233323	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+NH4"	18.033823
"1690732"	352.100323	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4"	18.033823
"340467"	343.5870495	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+NH4"	19.041099
"730700"	510.6202995	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+NH4"	19.041099
"1485613"	176.5537995	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+NH4"	19.041099
"399921"	691.122218	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Na"	22.989218
"762009"	1025.188718	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Na"	22.989218
"1617040"	357.055718	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na"	22.989218
"324524"	346.064747	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+Na"	23.996494
"713665"	513.097997	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+Na"	23.996494
"1475873"	179.031497	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+Na"	23.996494
"1062923"	119.69009	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2H+Na"	25.00377
"1267883"	367.099986	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+CH3OH+H"	33.033486
"391805"	707.096158	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+K"	38.963158
"753900"	1041.162658	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+K"	38.963158
"1555059"	373.029658	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K"	38.963158
"312395"	354.051717	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+H+K"	39.970434
"699105"	521.084967	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+H+K"	39.970434
"1461286"	187.018467	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+K"	39.970434
"250647"	710.166826	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+ACN+H"	42.033826
"1217526"	376.100326	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+H"	42.033826
"1201409"	188.553801	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+2H"	43.041102
"194276"	713.10416	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Na-H"	44.97116
"633837"	1047.17066	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Na-H"	44.97116
"1134425"	379.03766	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Na-H"	44.97116
"175286"	357.055718	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2Na"	45.978436
"615818"	524.088968	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2Na"	45.978436
"1116525"	190.022468	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2Na"	45.978436
"1399809"	127.017404	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+2Na"	46.985712
"1430830"	381.079246	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+HCOOH"	47.012746
"223931"	362.08874	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+3H2O+2H"	56.04448
"1517099"	395.13129	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+IsoProp+H"	61.06479
"417879"	365.042688	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+Na+K"	61.952376
"783253"	532.075938	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+Na+K"	61.952376
"1671932"	198.009438	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+K"	61.952376
"262825"	732.148768	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+ACN+Na"	64.015768
"1236627"	398.082268	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+ACN+Na"	64.015768
"1724420"	398.105793	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4+HCOOH"	64.039293
"1187588"	134.344718	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3Na"	68.967654
"1659668"	403.061188	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+HCOOH"	68.994688
"163248"	745.05204	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2K-H"	76.91904
"606088"	1079.11854	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2K-H"	76.91904
"1094974"	410.98554	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K-H"	76.91904
"151789"	373.029658	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"2M+2K"	77.926316
"588070"	540.062908	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"3M+2K"	77.926316
"1075862"	205.996408	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K"	77.926316
"1111257"	413.000092	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2K+H"	78.933592
"1342177"	413.087707	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+DMSO+H"	79.021207
"1016173"	417.126876	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2ACN+H"	83.060376
"1532111"	418.120508	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+IsoProp+Na+H"	84.054008
"994187"	209.067076	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+2ACN+2H"	84.067652
"1596346"	419.035128	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K+HCOOH"	84.968628
"1416903"	449.066638	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+H+CF3COOH"	115.000138
"1151202"	229.580351	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+3ACN+2H"	125.094202
"1704033"	466.093185	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+NH4+CF3COOH"	132.026685
"1638593"	471.04858	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+Na+CF3COOH"	136.98208
"1582992"	487.02252	"C10517"	"2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate"	"C9H19O11P"	"334.0665"	"M+K+CF3COOH"	152.95602
"803517"	451.1995	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M"	0
"983615"	432.18111	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-H2O-H"	-19.01839
"69670"	299.792390666667	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M-3H"	-3.021828
"512511"	450.192224	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M-3H"	-3.021828
"890312"	149.392557333333	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-3H"	-3.021828
"11072"	450.192224	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M-2H"	-2.014552
"448446"	675.791974	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M-2H"	-2.014552
"824062"	224.592474	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-2H"	-2.014552
"86242"	901.391724	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M-H"	-1.007276
"523615"	1352.591224	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M-H"	-1.007276
"901416"	450.192224	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-H"	-1.007276
"53605"	918.418271	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M-2H+NH4"	16.019271
"494256"	1369.617771	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M-2H+NH4"	16.019271
"873152"	467.218771	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-2H+NH4"	16.019271
"38868"	923.373666	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M-2H+Na"	20.974666
"481708"	1374.573166	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M-2H+Na"	20.974666
"854042"	472.174166	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-2H+Na"	20.974666
"1623577"	472.174166	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Na-2H"	20.974666
"102293"	468.180563	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M-H+Cl"	33.962126
"542948"	693.780313	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M-H+Cl"	33.962126
"927715"	242.580813	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-H+Cl"	33.962126
"270647"	937.368402	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+Cl"	34.969402
"663069"	1388.567902	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+Cl"	34.969402
"1273771"	486.168902	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Cl"	34.969402
"16328"	939.347606	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M-2H+K"	36.948606
"456618"	1390.547106	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M-2H+K"	36.948606
"833331"	488.148106	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-2H+K"	36.948606
"1563259"	488.148106	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+K-2H"	36.948606
"943487"	496.197694	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-H+HCOOH"	44.998194
"367170"	947.397201	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+HCOOH-H"	44.998201
"348139"	961.412851	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+Hac-H"	59.013851
"1494419"	510.213351	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Hac-H"	59.013851
"962328"	518.179651	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-H+NaCOOH"	66.980151
"111236"	486.168902	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+2Cl"	69.938804
"554807"	711.768652	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+2Cl"	69.938804
"1025066"	260.569152	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2Cl"	69.938804
"1251937"	530.118385	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Br"	78.918885
"1313292"	532.174372	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Cl+HCOOH"	80.974872
"1324592"	554.156329	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Cl+NaCOOH"	102.956829
"918568"	564.185086	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M-H+CF3COOH"	112.985586
"1297465"	600.161764	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Cl+CF3COOH"	148.962264
"1375625"	416.186824	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H-2H2O"	-35.012676
"1392031"	434.1968	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H-H2O"	-17.0027
"298161"	903.406276	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+H"	1.007276
"689609"	1354.605776	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+H"	1.007276
"1365232"	452.206776	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H"	1.007276
"139944"	452.206776	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+2H"	2.014552
"581089"	677.806526	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+2H"	2.014552
"1048302"	226.607026	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2H"	2.014552
"219484"	301.806942666667	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+3H"	3.021828
"657221"	452.206776	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+3H"	3.021828
"1176806"	151.407109333333	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+3H"	3.021828
"432786"	920.432823	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+NH4"	18.033823
"791593"	1371.632323	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+NH4"	18.033823
"1686832"	469.233323	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+NH4"	18.033823
"339484"	460.7200495	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+H+NH4"	19.041099
"728624"	686.3197995	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+H+NH4"	19.041099
"1485723"	235.1202995	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H+NH4"	19.041099
"401121"	925.388218	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+Na"	22.989218
"761026"	1376.587718	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+Na"	22.989218
"1616421"	474.188718	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Na"	22.989218
"324270"	463.197747	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+H+Na"	23.996494
"713777"	688.797497	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+H+Na"	23.996494
"1472704"	237.597997	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H+Na"	23.996494
"1064127"	158.734423333333	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2H+Na"	25.00377
"1266899"	484.232986	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+CH3OH+H"	33.033486
"388756"	941.362158	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+K"	38.963158
"751938"	1392.561658	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+K"	38.963158
"1555086"	490.162658	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+K"	38.963158
"311167"	471.184717	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+H+K"	39.970434
"700308"	696.784467	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+H+K"	39.970434
"1459973"	245.584967	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H+K"	39.970434
"251205"	944.432826	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+ACN+H"	42.033826
"1218729"	493.233326	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+ACN+H"	42.033826
"1203703"	247.120301	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+ACN+2H"	43.041102
"192200"	947.37016	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+2Na-H"	44.97116
"631761"	1398.56966	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+2Na-H"	44.97116
"1133080"	496.17066	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2Na-H"	44.97116
"173206"	474.188718	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+2Na"	45.978436
"613375"	699.788468	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+2Na"	45.978436
"1116639"	248.588968	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2Na"	45.978436
"1398947"	166.061737333333	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H+2Na"	46.985712
"1431184"	498.212246	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H+HCOOH"	47.012746
"223677"	479.22174	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+3H2O+2H"	56.04448
"1517209"	512.26429	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+IsoProp+H"	61.06479
"417989"	482.175688	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+Na+K"	61.952376
"783362"	707.775438	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+Na+K"	61.952376
"1666696"	256.575938	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Na+K"	61.952376
"259655"	966.414768	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+ACN+Na"	64.015768
"1233457"	515.215268	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+ACN+Na"	64.015768
"1717969"	515.238793	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+NH4+HCOOH"	64.039293
"1181137"	173.389051333333	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+3Na"	68.967654
"1655403"	520.194188	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Na+HCOOH"	68.994688
"161168"	979.31804	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+2K-H"	76.91904
"602916"	1430.51754	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+2K-H"	76.91904
"1089616"	528.11854	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2K-H"	76.91904
"147525"	490.162658	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"2M+2K"	77.926316
"583440"	715.762408	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"3M+2K"	77.926316
"1071234"	264.562908	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2K"	77.926316
"1108087"	530.133092	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2K+H"	78.933592
"1339734"	530.220707	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+DMSO+H"	79.021207
"1014095"	534.259876	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2ACN+H"	83.060376
"1532221"	535.253508	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+IsoProp+Na+H"	84.054008
"994297"	267.633576	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+2ACN+2H"	84.067652
"1598643"	536.168128	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+K+HCOOH"	84.968628
"1416649"	566.199638	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+H+CF3COOH"	115.000138
"1151312"	288.146851	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+3ACN+2H"	125.094202
"1704143"	583.226185	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+NH4+CF3COOH"	132.026685
"1638703"	588.18158	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+Na+CF3COOH"	136.98208
"1583102"	604.15552	"C10518"	"Piscerythramine"	"C26H29NO6"	"451.1995"	"M+K+CF3COOH"	152.95602
"806907"	420.1573	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M"	0
"985912"	401.13891	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-H2O-H"	-19.01839
"71967"	279.097590666667	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M-3H"	-3.021828
"512621"	419.150024	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M-3H"	-3.021828
"894071"	139.045157333333	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-3H"	-3.021828
"10089"	419.150024	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M-2H"	-2.014552
"451836"	629.228674	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M-2H"	-2.014552
"831097"	209.071374	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-2H"	-2.014552
"91090"	839.307324	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M-H"	-1.007276
"528828"	1259.464624	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M-H"	-1.007276
"904805"	419.150024	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-H"	-1.007276
"61617"	856.333871	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M-2H+NH4"	16.019271
"495461"	1276.491171	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M-2H+NH4"	16.019271
"873263"	436.176571	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-2H+NH4"	16.019271
"41165"	861.289266	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M-2H+Na"	20.974666
"482912"	1281.446566	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M-2H+Na"	20.974666
"859620"	441.131966	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-2H+Na"	20.974666
"1629154"	441.131966	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Na-2H"	20.974666
"99122"	437.138363	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M-H+Cl"	33.962126
"540872"	647.217013	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M-H+Cl"	33.962126
"927337"	227.059713	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-H+Cl"	33.962126
"267677"	875.284002	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+Cl"	34.969402
"664273"	1295.441302	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+Cl"	34.969402
"1273800"	455.126702	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Cl"	34.969402
"18260"	877.263206	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M-2H+K"	36.948606
"459889"	1297.420506	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M-2H+K"	36.948606
"833441"	457.105906	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-2H+K"	36.948606
"1565556"	457.105906	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+K-2H"	36.948606
"946877"	465.155494	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-H+HCOOH"	44.998194
"366186"	885.312801	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+HCOOH-H"	44.998201
"349343"	899.328451	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+Hac-H"	59.013851
"1496718"	479.171151	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Hac-H"	59.013851
"962074"	487.137451	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-H+NaCOOH"	66.980151
"110325"	455.126702	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+2Cl"	69.938804
"554917"	665.205352	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+2Cl"	69.938804
"1022260"	245.048052	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2Cl"	69.938804
"1245484"	499.076185	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Br"	78.918885
"1314495"	501.132172	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Cl+HCOOH"	80.974872
"1331263"	523.114129	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Cl+NaCOOH"	102.956829
"916489"	533.142886	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M-H+CF3COOH"	112.985586
"1296481"	569.119564	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Cl+CF3COOH"	148.962264
"1372454"	385.144624	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H-2H2O"	-35.012676
"1389955"	403.1546	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H-H2O"	-17.0027
"297787"	841.321876	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+H"	1.007276
"689355"	1261.479176	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+H"	1.007276
"1366971"	421.164576	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H"	1.007276
"140783"	421.164576	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+2H"	2.014552
"581280"	631.243226	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+2H"	2.014552
"1051328"	211.085926	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2H"	2.014552
"219476"	281.112142666667	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+3H"	3.021828
"658427"	421.164576	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+3H"	3.021828
"1177646"	141.059709333333	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+3H"	3.021828
"437637"	858.348423	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+NH4"	18.033823
"794985"	1278.505723	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+NH4"	18.033823
"1688037"	438.191123	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+NH4"	18.033823
"339594"	429.6778495	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+H+NH4"	19.041099
"730921"	639.7564995	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+H+NH4"	19.041099
"1485834"	219.5991995	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H+NH4"	19.041099
"399045"	863.303818	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+Na"	22.989218
"764415"	1283.461118	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+Na"	22.989218
"1618077"	443.146518	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Na"	22.989218
"329731"	432.155547	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+H+Na"	23.996494
"716073"	642.234197	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+H+Na"	23.996494
"1473178"	222.076897	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H+Na"	23.996494
"1064237"	148.387023333333	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2H+Na"	25.00377
"1268103"	453.190786	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+CH3OH+H"	33.033486
"388866"	879.277758	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+K"	38.963158
"752048"	1299.435058	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+K"	38.963158
"1553253"	459.120458	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+K"	38.963158
"310913"	440.142517	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+H+K"	39.970434
"702605"	650.221167	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+H+K"	39.970434
"1455335"	230.063867	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H+K"	39.970434
"248314"	882.348426	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+ACN+H"	42.033826
"1218838"	462.191126	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+ACN+H"	42.033826
"1202720"	231.599201	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+ACN+2H"	43.041102
"192309"	885.28576	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+2Na-H"	44.97116
"632964"	1305.44306	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+2Na-H"	44.97116
"1133190"	465.12846	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2Na-H"	44.97116
"175018"	443.146518	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+2Na"	45.978436
"616037"	653.225168	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+2Na"	45.978436
"1115708"	233.067868	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2Na"	45.978436
"1399787"	155.714337333333	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H+2Na"	46.985712
"1432995"	467.170046	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H+HCOOH"	47.012746
"223787"	448.17954	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+3H2O+2H"	56.04448
"1517319"	481.22209	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+IsoProp+H"	61.06479
"419192"	451.133488	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+Na+K"	61.952376
"782378"	661.212138	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+Na+K"	61.952376
"1669235"	241.054838	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Na+K"	61.952376
"255391"	904.330368	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+ACN+Na"	64.015768
"1229557"	484.173068	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+ACN+Na"	64.015768
"1718079"	484.196593	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+NH4+HCOOH"	64.039293
"1187806"	163.041651333333	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+3Na"	68.967654
"1659885"	489.151988	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Na+HCOOH"	68.994688
"160913"	917.23364	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+2K-H"	76.91904
"604119"	1337.39094	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+2K-H"	76.91904
"1093001"	497.07634	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2K-H"	76.91904
"147635"	459.120458	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"2M+2K"	77.926316
"585373"	669.199108	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"3M+2K"	77.926316
"1073531"	249.041808	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2K"	77.926316
"1104917"	499.090892	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2K+H"	78.933592
"1341302"	499.178507	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+DMSO+H"	79.021207
"1013112"	503.217676	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2ACN+H"	83.060376
"1530144"	504.211308	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+IsoProp+Na+H"	84.054008
"999873"	252.112476	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+2ACN+2H"	84.067652
"1598753"	505.125928	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+K+HCOOH"	84.968628
"1420040"	535.157438	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+H+CF3COOH"	115.000138
"1153609"	272.625751	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+3ACN+2H"	125.094202
"1710813"	552.183985	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+NH4+CF3COOH"	132.026685
"1635533"	557.13938	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+Na+CF3COOH"	136.98208
"1583212"	573.11332	"C10519"	"Pomiferin"	"C25H24O6"	"420.1573"	"M+K+CF3COOH"	152.95602
"804101"	300.0634	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M"	0
"983838"	281.04501	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"66611"	199.034990666667	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"513825"	299.056124	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"889442"	99.0138573333333	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"10201"	299.056124	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"448668"	449.087824	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"830479"	149.024424	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"93511"	599.119524	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"533313"	899.182924	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"906008"	299.056124	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"61727"	616.146071	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"501772"	916.209471	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"877382"	316.082671	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"45651"	621.101466	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"484115"	921.164866	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"863337"	321.038066	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1631452"	321.038066	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"103606"	317.044463	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"542077"	467.076163	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"929392"	167.012763	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"270869"	635.096202	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"662198"	935.159602	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1281163"	335.032802	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"27001"	637.075406	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"465469"	937.138806	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"836711"	337.012006	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1563480"	337.012006	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"948082"	345.061594	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"371764"	645.125001	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"349087"	659.140651	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1497920"	359.077251	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"961088"	367.043551	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"111456"	335.032802	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"556123"	485.064502	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1028203"	185.001102	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1250335"	378.982285	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1311325"	381.038272	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1325906"	403.020229	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"914413"	413.048986	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1294404"	449.025664	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1375846"	265.050724	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1390065"	283.0607	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"293397"	601.134076	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"689344"	901.197476	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1366709"	301.070676	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"141020"	301.070676	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"580703"	451.102376	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1052291"	151.038976	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"218976"	201.049542666667	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"656713"	301.070676	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1175930"	101.028409333333	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"433005"	618.160623	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"792907"	918.224023	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1694704"	318.097223	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"339703"	309.5839495	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"735403"	459.6156495	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1487038"	159.5522495	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"404991"	623.116018	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"766713"	923.179418	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1613356"	323.052618	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"322662"	312.061647	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"713996"	462.093347	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1471093"	162.029947	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1062152"	108.355723333333	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1260551"	333.096886	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"392262"	639.089958	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"752889"	939.153358	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1554213"	339.026558	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"312118"	320.048617	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"702715"	470.080317	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1453258"	170.016917	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"244051"	642.160626	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1214574"	342.097226	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1200643"	171.552251	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"191326"	645.09796	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"631981"	945.16136	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1135484"	345.03456	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"178771"	323.052618	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"616142"	473.084318	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1120013"	173.020918	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1402443"	115.683037333333	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1433104"	347.076146	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"226079"	328.08564	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1511593"	361.12819	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"412741"	331.039588	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"781395"	481.071288	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1672260"	181.007888	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"258780"	664.142568	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1231488"	364.079168	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1721469"	364.102693	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1187917"	123.010351333333	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1659996"	369.058088	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"162483"	677.04584	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"605323"	977.10924	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1090927"	376.98244	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"148839"	339.026558	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"585120"	489.058258	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1082390"	188.994858	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1111589"	378.996992	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1346880"	379.084607	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1017596"	383.123776	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1533535"	384.117408	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"996703"	192.065526	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1598863"	385.032028	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1426710"	415.063538	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1156999"	212.578801	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1710924"	432.090085	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1649494"	437.04548	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1583322"	453.01942	"C10520"	"Pratensein"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"807127"	284.0685	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M"	0
"986132"	265.05011	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"72187"	188.371724	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"516122"	283.061224	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"891739"	93.682224	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"7031"	283.061224	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"450965"	425.095474	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"831319"	141.026974	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"90944"	567.129724	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"531598"	851.198224	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"906118"	283.061224	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"60496"	584.156271	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"501757"	868.224771	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"876399"	300.087771	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"43572"	589.111666	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"484225"	873.180166	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"859841"	305.043166	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1628282"	305.043166	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"100437"	301.049563	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"540000"	443.083813	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"928165"	159.015313	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"270978"	603.106402	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"661698"	887.174902	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1274832"	319.037902	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"21643"	605.085606	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"465578"	889.154106	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"836821"	321.017106	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1560310"	321.017106	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"947099"	329.066694	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"370780"	613.135201	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"352477"	627.150851	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1499123"	343.082351	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"961197"	351.048651	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"111566"	319.037902	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"553316"	461.072152	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1029407"	177.003652	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1250082"	362.987385	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1312529"	365.043372	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1323463"	387.025329	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"916711"	397.054086	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1293418"	433.030764	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1369391"	249.055824	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1384335"	267.0658	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"285484"	569.144276	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"682281"	853.212776	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1366289"	285.075776	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"139178"	285.075776	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"579832"	427.110026	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1051549"	143.041526	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"217627"	190.386276	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"657917"	285.075776	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1174947"	95.696776	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"435302"	586.170823	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"795204"	870.239323	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1692995"	302.102323	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"341999"	293.5890495	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"735149"	435.6232995	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1488241"	151.5547995	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"406558"	591.126218	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"767552"	875.194718	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1613830"	307.057718	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"323865"	296.066747	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"715198"	438.100997	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1471206"	154.032497	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1063356"	103.02409	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1266127"	317.101986	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"381056"	607.100158	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"746790"	891.168658	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1549944"	323.031658	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"308942"	304.053717	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"705742"	446.087967	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1456648"	162.019467	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"243068"	610.170826	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1213591"	326.102326	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1198567"	163.554801	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"190343"	613.10816	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"630997"	897.17666	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1133407"	329.03966	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"176695"	307.057718	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"614796"	449.091968	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1117329"	165.023468	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1404379"	110.351404	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1433215"	331.081246	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"223272"	312.09074	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1510975"	345.13329	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"410661"	315.044688	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"781140"	457.078938	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1671276"	173.010438	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"260713"	632.152768	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1232328"	348.084268	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1724131"	348.107793	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1192402"	117.678718	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1663388"	353.063188	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"164781"	645.05604	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"605433"	929.12454	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1091037"	360.98754	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"148949"	323.031658	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"588510"	465.065908	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1082864"	180.997408	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1111699"	363.002092	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1343710"	363.089707	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1017706"	367.128876	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1533645"	368.122508	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"996813"	184.068076	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1598973"	369.037128	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1426820"	399.068638	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1157109"	204.581351	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1711034"	416.095185	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1648875"	421.05058	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1583432"	437.02452	"C10521"	"Prunetin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"812705"	282.0528	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M"	0
"988067"	263.03441	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-H2O-H"	-19.01839
"73390"	187.027924	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M-3H"	-3.021828
"517328"	281.045524	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M-3H"	-3.021828
"890756"	93.010324	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-3H"	-3.021828
"13705"	281.045524	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M-2H"	-2.014552
"452171"	422.071924	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M-2H"	-2.014552
"829972"	140.019124	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-2H"	-2.014552
"89963"	563.098324	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M-H"	-1.007276
"529524"	845.151124	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M-H"	-1.007276
"910607"	281.045524	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-H"	-1.007276
"60850"	580.124871	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M-2H+NH4"	16.019271
"500774"	862.177671	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M-2H+NH4"	16.019271
"877119"	298.072071	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-2H+NH4"	16.019271
"45751"	585.080266	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M-2H+Na"	20.974666
"479963"	867.133066	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M-2H+Na"	20.974666
"859951"	303.027466	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-2H+Na"	20.974666
"1627298"	303.027466	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Na-2H"	20.974666
"99454"	299.033863	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M-H+Cl"	33.962126
"536826"	440.060263	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M-H+Cl"	33.962126
"929614"	158.007463	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-H+Cl"	33.962126
"271088"	599.075002	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+Cl"	34.969402
"663509"	881.127802	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+Cl"	34.969402
"1279196"	317.022202	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Cl"	34.969402
"25034"	601.054206	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M-2H+K"	36.948606
"465690"	883.107006	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M-2H+K"	36.948606
"839121"	319.001406	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-2H+K"	36.948606
"1562607"	319.001406	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+K-2H"	36.948606
"948302"	327.050994	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-H+HCOOH"	44.998194
"371620"	609.103801	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+HCOOH-H"	44.998201
"348216"	623.119451	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+Hac-H"	59.013851
"1497046"	341.066651	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Hac-H"	59.013851
"966779"	349.032951	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-H+NaCOOH"	66.980151
"114229"	317.022202	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+2Cl"	69.938804
"559624"	458.048602	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+2Cl"	69.938804
"1025870"	175.995802	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2Cl"	69.938804
"1246906"	360.971685	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Br"	78.918885
"1313732"	363.027672	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Cl+HCOOH"	80.974872
"1326855"	385.009629	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Cl+NaCOOH"	102.956829
"915359"	395.038386	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M-H+CF3COOH"	112.985586
"1289884"	431.015064	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Cl+CF3COOH"	148.962264
"1373880"	247.040124	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H-2H2O"	-35.012676
"1391377"	265.0501	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H-H2O"	-17.0027
"285959"	565.112876	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+H"	1.007276
"678017"	847.165676	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+H"	1.007276
"1360930"	283.060076	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H"	1.007276
"134912"	283.060076	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+2H"	2.014552
"578848"	424.086476	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+2H"	2.014552
"1050929"	142.033676	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2H"	2.014552
"216641"	189.042476	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+3H"	3.021828
"655108"	283.060076	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+3H"	3.021828
"1166673"	95.024876	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+3H"	3.021828
"431038"	582.139423	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+NH4"	18.033823
"792034"	864.192223	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+NH4"	18.033823
"1687271"	300.086623	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+NH4"	18.033823
"336642"	291.5733495	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+H+NH4"	19.041099
"731251"	432.5997495	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+H+NH4"	19.041099
"1489081"	150.5469495	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H+NH4"	19.041099
"403755"	587.094818	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+Na"	22.989218
"762564"	869.147618	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+Na"	22.989218
"1613939"	305.042018	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Na"	22.989218
"329085"	294.051047	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+H+Na"	23.996494
"715311"	435.077447	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+H+Na"	23.996494
"1471317"	153.024647	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H+Na"	23.996494
"1060188"	102.35219	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2H+Na"	25.00377
"1264050"	315.086286	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+CH3OH+H"	33.033486
"380438"	603.068758	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+K"	38.963158
"746900"	885.121558	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+K"	38.963158
"1550054"	321.015958	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+K"	38.963158
"313793"	302.038017	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+H+K"	39.970434
"703665"	443.064417	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+H+K"	39.970434
"1457853"	161.011617	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H+K"	39.970434
"245364"	606.139426	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+ACN+H"	42.033826
"1214795"	324.086626	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+ACN+H"	42.033826
"1199771"	162.546951	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+ACN+2H"	43.041102
"191547"	609.07676	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+2Na-H"	44.97116
"631108"	891.12956	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+2Na-H"	44.97116
"1133153"	327.02396	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2Na-H"	44.97116
"177902"	305.042018	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+2Na"	45.978436
"616369"	446.068418	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+2Na"	45.978436
"1119871"	164.015618	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2Na"	45.978436
"1400114"	109.679504	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H+2Na"	46.985712
"1432232"	329.065546	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H+HCOOH"	47.012746
"225206"	310.07504	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+3H2O+2H"	56.04448
"1513274"	343.11759	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+IsoProp+H"	61.06479
"410408"	313.028988	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+Na+K"	61.952376
"781978"	454.055388	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+Na+K"	61.952376
"1676490"	172.002588	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Na+K"	61.952376
"262645"	628.121368	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+ACN+Na"	64.015768
"1237906"	346.068568	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+ACN+Na"	64.015768
"1723877"	346.092093	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+NH4+HCOOH"	64.039293
"1189233"	117.006818	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+3Na"	68.967654
"1663499"	351.047488	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Na+HCOOH"	68.994688
"163798"	641.02464	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+2K-H"	76.91904
"608823"	923.07744	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+2K-H"	76.91904
"1093338"	358.97184	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2K-H"	76.91904
"149060"	321.015958	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"2M+2K"	77.926316
"591901"	462.042358	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"3M+2K"	77.926316
"1079694"	179.989558	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2K"	77.926316
"1108528"	360.986392	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2K+H"	78.933592
"1347101"	361.074007	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+DMSO+H"	79.021207
"1015631"	365.113176	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2ACN+H"	83.060376
"1539470"	366.106808	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+IsoProp+Na+H"	84.054008
"1004580"	183.060226	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+2ACN+2H"	84.067652
"1597993"	367.021428	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+K+HCOOH"	84.968628
"1419277"	397.052938	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+H+CF3COOH"	115.000138
"1157219"	203.573501	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+3ACN+2H"	125.094202
"1701304"	414.079485	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+NH4+CF3COOH"	132.026685
"1642422"	419.03488	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+Na+CF3COOH"	136.98208
"1583541"	435.00882	"C10522"	"Pseudobaptigenin"	"C16H10O5"	"282.0528"	"M+K+CF3COOH"	152.95602
"804067"	336.0998	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M"	0
"986358"	317.08141	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-H2O-H"	-19.01839
"76784"	223.059257333333	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M-3H"	-3.021828
"516346"	335.092524	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M-3H"	-3.021828
"894146"	111.025990666667	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-3H"	-3.021828
"12355"	335.092524	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M-2H"	-2.014552
"451917"	503.142424	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M-2H"	-2.014552
"830812"	167.042624	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-2H"	-2.014552
"91532"	671.192324	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M-H"	-1.007276
"529633"	1007.292124	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M-H"	-1.007276
"909013"	335.092524	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-H"	-1.007276
"60959"	688.218871	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M-2H+NH4"	16.019271
"499181"	1024.318671	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M-2H+NH4"	16.019271
"876255"	352.119071	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-2H+NH4"	16.019271
"44156"	693.174266	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M-2H+Na"	20.974666
"481168"	1029.274066	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M-2H+Na"	20.974666
"856782"	357.074466	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-2H+Na"	20.974666
"1626314"	357.074466	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Na-2H"	20.974666
"98469"	353.080863	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M-H+Cl"	33.962126
"535844"	521.130763	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M-H+Cl"	33.962126
"927698"	185.030963	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-H+Cl"	33.962126
"270105"	707.169002	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+Cl"	34.969402
"662527"	1043.268802	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+Cl"	34.969402
"1278213"	371.069202	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Cl"	34.969402
"22958"	709.148206	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M-2H+K"	36.948606
"460330"	1045.248006	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M-2H+K"	36.948606
"843604"	373.048406	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-2H+K"	36.948606
"1565997"	373.048406	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+K-2H"	36.948606
"947319"	381.097994	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-H+HCOOH"	44.998194
"372094"	717.197801	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+HCOOH-H"	44.998201
"352701"	731.213451	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+Hac-H"	59.013851
"1496065"	395.113651	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Hac-H"	59.013851
"970170"	403.079951	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-H+NaCOOH"	66.980151
"119079"	371.069202	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+2Cl"	69.938804
"560829"	539.119102	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+2Cl"	69.938804
"1031814"	203.019302	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2Cl"	69.938804
"1249205"	415.018685	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Br"	78.918885
"1313844"	417.074672	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Cl+HCOOH"	80.974872
"1324777"	439.056629	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Cl+NaCOOH"	102.956829
"914378"	449.085386	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M-H+CF3COOH"	112.985586
"1291085"	485.062064	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Cl+CF3COOH"	148.962264
"1376177"	301.087124	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H-2H2O"	-35.012676
"1391486"	319.0971	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H-H2O"	-17.0027
"288987"	673.206876	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+H"	1.007276
"679222"	1009.306676	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+H"	1.007276
"1363958"	337.107076	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H"	1.007276
"139034"	337.107076	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+2H"	2.014552
"580177"	505.156976	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+2H"	2.014552
"1049945"	169.057176	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2H"	2.014552
"214564"	225.073809333333	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+3H"	3.021828
"651938"	337.107076	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+3H"	3.021828
"1164597"	113.040542666667	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+3H"	3.021828
"430055"	690.233423	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+NH4"	18.033823
"795060"	1026.333223	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+NH4"	18.033823
"1690298"	354.133623	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+NH4"	18.033823
"337845"	345.6203495	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+H+NH4"	19.041099
"731361"	513.6702495	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+H+NH4"	19.041099
"1489921"	177.5704495	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H+NH4"	19.041099
"404594"	695.188818	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+Na"	22.989218
"765954"	1031.288618	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+Na"	22.989218
"1614414"	359.089018	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Na"	22.989218
"328103"	348.098047	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+H+Na"	23.996494
"714324"	516.147947	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+H+Na"	23.996494
"1466323"	180.048147	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H+Na"	23.996494
"1060298"	120.367856666667	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2H+Na"	25.00377
"1264161"	369.133286	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+CH3OH+H"	33.033486
"379455"	711.162758	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+K"	38.963158
"743731"	1047.262558	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+K"	38.963158
"1549800"	375.062958	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+K"	38.963158
"314147"	356.085017	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+H+K"	39.970434
"703049"	524.134917	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+H+K"	39.970434
"1454683"	188.035117	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H+K"	39.970434
"244376"	714.233426	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+ACN+H"	42.033826
"1220372"	378.133626	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+ACN+H"	42.033826
"1204254"	189.570451	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+ACN+2H"	43.041102
"196031"	717.17076	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+2Na-H"	44.97116
"636686"	1053.27056	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+2Na-H"	44.97116
"1132291"	381.07096	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2Na-H"	44.97116
"173515"	359.089018	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+2Na"	45.978436
"614413"	527.138918	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+2Na"	45.978436
"1118892"	191.039118	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2Na"	45.978436
"1402411"	127.695170666667	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H+2Na"	46.985712
"1431371"	383.112546	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H+HCOOH"	47.012746
"222037"	364.12204	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+3H2O+2H"	56.04448
"1512291"	397.16459	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+IsoProp+H"	61.06479
"409666"	367.075988	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+Na+K"	61.952376
"780630"	535.125888	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+Na+K"	61.952376
"1679152"	199.026088	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Na+K"	61.952376
"262755"	736.215368	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+ACN+Na"	64.015768
"1236923"	400.115568	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+ACN+Na"	64.015768
"1724716"	400.139093	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+NH4+HCOOH"	64.039293
"1193840"	135.022484666667	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+3Na"	68.967654
"1665067"	405.094488	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Na+HCOOH"	68.994688
"169375"	749.11864	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+2K-H"	76.91904
"608933"	1085.21844	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+2K-H"	76.91904
"1090168"	413.01884	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2K-H"	76.91904
"151357"	375.062958	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"2M+2K"	77.926316
"588731"	543.112858	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"3M+2K"	77.926316
"1079804"	207.013058	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2K"	77.926316
"1108638"	415.033392	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2K+H"	78.933592
"1348305"	415.121007	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+DMSO+H"	79.021207
"1015741"	419.160176	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2ACN+H"	83.060376
"1539542"	420.153808	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+IsoProp+Na+H"	84.054008
"1005261"	210.083726	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+2ACN+2H"	84.067652
"1595917"	421.068428	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+K+HCOOH"	84.968628
"1427041"	451.099938	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+H+CF3COOH"	115.000138
"1157330"	230.597001	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+3ACN+2H"	125.094202
"1701414"	468.126485	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+NH4+CF3COOH"	132.026685
"1642532"	473.08188	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+Na+CF3COOH"	136.98208
"1583651"	489.05582	"C10523"	"Psoralidin"	"C20H16O5"	"336.0998"	"M+K+CF3COOH"	152.95602
"804177"	416.1107	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M"	0
"987923"	397.09231	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-H2O-H"	-19.01839
"73611"	276.399857333333	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M-3H"	-3.021828
"512084"	415.103424	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M-3H"	-3.021828
"892069"	137.696290666667	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-3H"	-3.021828
"8456"	415.103424	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M-2H"	-2.014552
"450203"	623.158774	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M-2H"	-2.014552
"829099"	207.048074	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-2H"	-2.014552
"90184"	831.214124	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M-H"	-1.007276
"527556"	1247.324824	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M-H"	-1.007276
"907543"	415.103424	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-H"	-1.007276
"56450"	848.240671	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M-2H+NH4"	16.019271
"498198"	1264.351371	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M-2H+NH4"	16.019271
"870533"	432.129971	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-2H+NH4"	16.019271
"42080"	853.196066	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M-2H+Na"	20.974666
"480183"	1269.306766	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M-2H+Na"	20.974666
"855796"	437.085366	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-2H+Na"	20.974666
"1625328"	437.085366	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Na-2H"	20.974666
"94525"	433.091763	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M-H+Cl"	33.962126
"534980"	641.147113	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M-H+Cl"	33.962126
"927515"	225.036413	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-H+Cl"	33.962126
"268026"	867.190802	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+Cl"	34.969402
"660047"	1283.301502	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+Cl"	34.969402
"1278323"	451.080102	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Cl"	34.969402
"23068"	869.170006	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M-2H+K"	36.948606
"460440"	1285.280706	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M-2H+K"	36.948606
"840434"	453.059306	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-2H+K"	36.948606
"1566107"	453.059306	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+K-2H"	36.948606
"947429"	461.108894	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-H+HCOOH"	44.998194
"370017"	877.219601	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+HCOOH-H"	44.998201
"352811"	891.235251	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+Hac-H"	59.013851
"1495444"	475.124551	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Hac-H"	59.013851
"961894"	483.090851	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-H+NaCOOH"	66.980151
"115909"	451.080102	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+2Cl"	69.938804
"553284"	659.135452	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+2Cl"	69.938804
"1022447"	243.024752	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2Cl"	69.938804
"1246035"	495.029585	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Br"	78.918885
"1316138"	497.085572	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Cl+HCOOH"	80.974872
"1332177"	519.067529	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Cl+NaCOOH"	102.956829
"918132"	529.096286	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M-H+CF3COOH"	112.985586
"1299215"	565.072964	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Cl+CF3COOH"	148.962264
"1376287"	381.098024	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H-2H2O"	-35.012676
"1391596"	399.108	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H-H2O"	-17.0027
"289097"	833.228676	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+H"	1.007276
"679332"	1249.339376	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+H"	1.007276
"1364068"	417.117976	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H"	1.007276
"139508"	417.117976	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+2H"	2.014552
"580164"	625.173326	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+2H"	2.014552
"1050908"	209.062626	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2H"	2.014552
"216133"	278.414409333333	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+3H"	3.021828
"654964"	417.117976	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+3H"	3.021828
"1167987"	139.710842666667	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+3H"	3.021828
"430165"	850.255223	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+NH4"	18.033823
"797722"	1266.365923	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+NH4"	18.033823
"1690772"	434.144523	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+NH4"	18.033823
"336862"	425.6312495	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+H+NH4"	19.041099
"730378"	633.6865995	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+H+NH4"	19.041099
"1489302"	217.5758995	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H+NH4"	19.041099
"404704"	855.210618	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+Na"	22.989218
"766064"	1271.321318	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+Na"	22.989218
"1614524"	439.099918	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Na"	22.989218
"327971"	428.108947	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+H+Na"	23.996494
"713341"	636.164297	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+H+Na"	23.996494
"1467162"	220.053597	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H+Na"	23.996494
"1060408"	147.038156666667	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2H+Na"	25.00377
"1262084"	449.144186	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+CH3OH+H"	33.033486
"381751"	871.184558	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+K"	38.963158
"743840"	1287.295258	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+K"	38.963158
"1545897"	455.073858	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+K"	38.963158
"306721"	436.095917	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+H+K"	39.970434
"699877"	644.151267	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+H+K"	39.970434
"1453699"	228.040567	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H+K"	39.970434
"242301"	874.255226	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+ACN+H"	42.033826
"1212826"	458.144526	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+ACN+H"	42.033826
"1199990"	229.575901	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+ACN+2H"	43.041102
"190674"	877.19256	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+2Na-H"	44.97116
"630476"	1293.30326	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+2Na-H"	44.97116
"1131390"	461.08186	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2Na-H"	44.97116
"172864"	439.099918	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+2Na"	45.978436
"613551"	647.155268	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+2Na"	45.978436
"1116079"	231.044568	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2Na"	45.978436
"1398586"	154.365470666667	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H+2Na"	46.985712
"1429969"	463.123446	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H+HCOOH"	47.012746
"220362"	444.13294	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+3H2O+2H"	56.04448
"1509363"	477.17549	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+IsoProp+H"	61.06479
"408598"	447.086888	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+Na+K"	61.952376
"780376"	655.142238	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+Na+K"	61.952376
"1677804"	239.031538	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Na+K"	61.952376
"261042"	896.237168	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+ACN+Na"	64.015768
"1235939"	480.126468	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+ACN+Na"	64.015768
"1721911"	480.149993	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+NH4+HCOOH"	64.039293
"1192006"	161.692784666667	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+3Na"	68.967654
"1660438"	485.105388	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Na+HCOOH"	68.994688
"167297"	909.14044	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+2K-H"	76.91904
"604668"	1325.25114	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+2K-H"	76.91904
"1093558"	493.02974	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2K-H"	76.91904
"151467"	455.073858	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"2M+2K"	77.926316
"588841"	663.129208	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"3M+2K"	77.926316
"1079914"	247.018508	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2K"	77.926316
"1108748"	495.044292	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2K+H"	78.933592
"1344042"	495.131907	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+DMSO+H"	79.021207
"1012571"	499.171076	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2ACN+H"	83.060376
"1536165"	500.164708	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+IsoProp+Na+H"	84.054008
"1003709"	250.089176	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+2ACN+2H"	84.067652
"1596027"	501.079328	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+K+HCOOH"	84.968628
"1427151"	531.110838	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+H+CF3COOH"	115.000138
"1157440"	270.602451	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+3ACN+2H"	125.094202
"1701524"	548.137385	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+NH4+CF3COOH"	132.026685
"1642642"	553.09278	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+Na+CF3COOH"	136.98208
"1583761"	569.06672	"C10524"	"Puerarin"	"C21H20O9"	"416.1107"	"M+K+CF3COOH"	152.95602
"804287"	406.1053	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M"	0
"986572"	387.08691	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-H2O-H"	-19.01839
"73721"	269.729590666667	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M-3H"	-3.021828
"514379"	405.098024	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M-3H"	-3.021828
"892179"	134.361157333333	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-3H"	-3.021828
"9659"	405.098024	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M-2H"	-2.014552
"450312"	608.150674	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M-2H"	-2.014552
"829938"	202.045374	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-2H"	-2.014552
"90294"	811.203324	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M-H"	-1.007276
"526572"	1217.308624	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M-H"	-1.007276
"907653"	405.098024	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-H"	-1.007276
"58747"	828.229871	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M-2H+NH4"	16.019271
"500982"	1234.335171	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M-2H+NH4"	16.019271
"873924"	422.124571	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-2H+NH4"	16.019271
"40731"	833.185266	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M-2H+Na"	20.974666
"480293"	1239.290566	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M-2H+Na"	20.974666
"849955"	427.079966	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-2H+Na"	20.974666
"1624345"	427.079966	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Na-2H"	20.974666
"95284"	423.086363	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M-H+Cl"	33.962126
"537154"	626.139013	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M-H+Cl"	33.962126
"928478"	220.033713	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-H+Cl"	33.962126
"268258"	847.180002	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+Cl"	34.969402
"660351"	1253.285302	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+Cl"	34.969402
"1278433"	441.074702	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Cl"	34.969402
"23178"	849.159206	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M-2H+K"	36.948606
"458362"	1255.264506	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M-2H+K"	36.948606
"843824"	443.053906	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-2H+K"	36.948606
"1566217"	443.053906	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+K-2H"	36.948606
"947539"	451.103494	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-H+HCOOH"	44.998194
"369034"	857.208801	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+HCOOH-H"	44.998201
"350369"	871.224451	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+Hac-H"	59.013851
"1497377"	465.119151	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Hac-H"	59.013851
"963826"	473.085451	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-H+NaCOOH"	66.980151
"111151"	441.074702	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+2Cl"	69.938804
"559952"	644.127352	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+2Cl"	69.938804
"1022921"	238.022052	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2Cl"	69.938804
"1246509"	485.024185	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Br"	78.918885
"1316248"	487.080172	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Cl+HCOOH"	80.974872
"1332651"	509.062129	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Cl+NaCOOH"	102.956829
"918242"	519.090886	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M-H+CF3COOH"	112.985586
"1296045"	555.067564	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Cl+CF3COOH"	148.962264
"1375304"	371.092624	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H-2H2O"	-35.012676
"1388790"	389.1026	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H-H2O"	-17.0027
"289206"	813.217876	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+H"	1.007276
"687097"	1219.323176	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+H"	1.007276
"1363812"	407.112576	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H"	1.007276
"136335"	407.112576	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+2H"	2.014552
"578087"	610.165226	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+2H"	2.014552
"1049798"	204.059926	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2H"	2.014552
"215878"	271.744142666667	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+3H"	3.021828
"655438"	407.112576	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+3H"	3.021828
"1168097"	136.375709333333	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+3H"	3.021828
"432461"	830.244423	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+NH4"	18.033823
"797467"	1236.349723	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+NH4"	18.033823
"1689789"	424.139123	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+NH4"	18.033823
"336972"	415.6258495	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+H+NH4"	19.041099
"729395"	618.6784995	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+H+NH4"	19.041099
"1489776"	212.5731995	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H+NH4"	19.041099
"406636"	835.199818	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+Na"	22.989218
"766174"	1241.305118	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+Na"	22.989218
"1615362"	429.094518	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Na"	22.989218
"328932"	418.103547	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+H+Na"	23.996494
"713817"	621.156197	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+H+Na"	23.996494
"1469461"	215.050897	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H+Na"	23.996494
"1063799"	143.703023333333	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2H+Na"	25.00377
"1263287"	439.138786	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+CH3OH+H"	33.033486
"382956"	851.173758	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+K"	38.963158
"743951"	1257.279058	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+K"	38.963158
"1546007"	445.068458	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+K"	38.963158
"306466"	426.090517	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+H+K"	39.970434
"702173"	629.143167	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+H+K"	39.970434
"1453809"	223.037867	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H+K"	39.970434
"243504"	854.244426	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+ACN+H"	42.033826
"1215123"	448.139126	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+ACN+H"	42.033826
"1200100"	224.573201	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+ACN+2H"	43.041102
"190784"	857.18176	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+2Na-H"	44.97116
"633623"	1263.28706	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+2Na-H"	44.97116
"1131454"	451.07646	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2Na-H"	44.97116
"173166"	429.094518	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+2Na"	45.978436
"613662"	632.147168	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+2Na"	45.978436
"1116436"	226.041868	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2Na"	45.978436
"1400445"	151.030337333333	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H+2Na"	46.985712
"1429890"	453.118046	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H+HCOOH"	47.012746
"220050"	434.12754	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+3H2O+2H"	56.04448
"1508985"	467.17009	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+IsoProp+H"	61.06479
"408734"	437.081488	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+Na+K"	61.952376
"779757"	640.134138	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+Na+K"	61.952376
"1680590"	234.028838	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Na+K"	61.952376
"264434"	876.226368	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+ACN+Na"	64.015768
"1238237"	470.121068	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+ACN+Na"	64.015768
"1725301"	470.144593	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+NH4+HCOOH"	64.039293
"1192844"	158.357651333333	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+3Na"	68.967654
"1663828"	475.099988	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Na+HCOOH"	68.994688
"167407"	889.12964	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+2K-H"	76.91904
"606965"	1295.23494	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+2K-H"	76.91904
"1095855"	483.02434	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2K-H"	76.91904
"150484"	445.068458	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"2M+2K"	77.926316
"590044"	648.121108	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"3M+2K"	77.926316
"1073463"	242.015808	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2K"	77.926316
"1108858"	485.038892	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2K+H"	78.933592
"1346339"	485.126507	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+DMSO+H"	79.021207
"1014868"	489.165676	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2ACN+H"	83.060376
"1536275"	490.159308	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+IsoProp+Na+H"	84.054008
"1004185"	245.086476	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+2ACN+2H"	84.067652
"1600511"	491.073928	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+K+HCOOH"	84.968628
"1423981"	521.105438	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+H+CF3COOH"	115.000138
"1157550"	265.599751	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+3ACN+2H"	125.094202
"1704914"	538.131985	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+NH4+CF3COOH"	132.026685
"1646032"	543.08738	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+Na+CF3COOH"	136.98208
"1583871"	559.06132	"C10525"	"Rotenonone"	"C23H18O7"	"406.1053"	"M+K+CF3COOH"	152.95602
"816068"	286.1205	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M"	0
"989598"	267.10211	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-H2O-H"	-19.01839
"77887"	189.739724	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M-3H"	-3.021828
"517043"	285.113224	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M-3H"	-3.021828
"894602"	94.366224	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-3H"	-3.021828
"13050"	285.113224	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M-2H"	-2.014552
"454434"	428.173474	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M-2H"	-2.014552
"830413"	142.052974	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-2H"	-2.014552
"91497"	571.233724	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M-H"	-1.007276
"532028"	857.354224	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M-H"	-1.007276
"908857"	285.113224	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-H"	-1.007276
"61044"	588.260271	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M-2H+NH4"	16.019271
"501092"	874.380771	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M-2H+NH4"	16.019271
"876220"	302.139771	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-2H+NH4"	16.019271
"43758"	593.215666	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M-2H+Na"	20.974666
"480405"	879.336166	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M-2H+Na"	20.974666
"854923"	307.095166	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-2H+Na"	20.974666
"1620815"	307.095166	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Na-2H"	20.974666
"96363"	303.101563	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M-H+Cl"	33.962126
"535927"	446.161813	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M-H+Cl"	33.962126
"928955"	160.041313	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-H+Cl"	33.962126
"268733"	607.210402	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+Cl"	34.969402
"661150"	893.330902	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+Cl"	34.969402
"1274886"	321.089902	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Cl"	34.969402
"23288"	609.189606	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M-2H+K"	36.948606
"457741"	895.310106	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M-2H+K"	36.948606
"847216"	323.069106	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-2H+K"	36.948606
"1568514"	323.069106	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+K-2H"	36.948606
"947648"	331.118694	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-H+HCOOH"	44.998194
"368050"	617.239201	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+HCOOH-H"	44.998201
"353031"	631.254851	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+Hac-H"	59.013851
"1497852"	345.134351	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Hac-H"	59.013851
"963936"	353.100651	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-H+NaCOOH"	66.980151
"113570"	321.089902	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+2Cl"	69.938804
"558969"	464.150152	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+2Cl"	69.938804
"1026311"	178.029652	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2Cl"	69.938804
"1249534"	365.039385	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Br"	78.918885
"1316358"	367.095372	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Cl+HCOOH"	80.974872
"1332761"	389.077329	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Cl+NaCOOH"	102.956829
"924913"	399.106086	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M-H+CF3COOH"	112.985586
"1291415"	435.082764	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Cl+CF3COOH"	148.962264
"1369942"	251.107824	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H-2H2O"	-35.012676
"1384884"	269.1178	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H-H2O"	-17.0027
"284574"	573.248276	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+H"	1.007276
"677363"	859.368776	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+H"	1.007276
"1354442"	287.127776	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H"	1.007276
"139364"	287.127776	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+2H"	2.014552
"578196"	430.188026	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+2H"	2.014552
"1049545"	144.067526	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2H"	2.014552
"218177"	191.754276	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+3H"	3.021828
"657737"	287.127776	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+3H"	3.021828
"1171487"	96.380776	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+3H"	3.021828
"432571"	590.274823	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+NH4"	18.033823
"798306"	876.395323	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+NH4"	18.033823
"1693545"	304.154323	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+NH4"	18.033823
"340364"	295.6410495	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+H+NH4"	19.041099
"728412"	438.7012995	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+H+NH4"	19.041099
"1486607"	152.5807995	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H+NH4"	19.041099
"407354"	595.230218	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+Na"	22.989218
"767377"	881.350718	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+Na"	22.989218
"1617304"	309.109718	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Na"	22.989218
"328797"	298.118747	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+H+Na"	23.996494
"713563"	441.178997	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+H+Na"	23.996494
"1470661"	155.058497	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H+Na"	23.996494
"1056254"	103.70809	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2H+Na"	25.00377
"1262308"	319.153986	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+CH3OH+H"	33.033486
"380152"	611.204158	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+K"	38.963158
"748441"	897.324658	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+K"	38.963158
"1554870"	325.083658	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+K"	38.963158
"309862"	306.105717	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+H+K"	39.970434
"703378"	449.165967	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+H+K"	39.970434
"1456106"	163.045467	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H+K"	39.970434
"242522"	614.274826	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+ACN+H"	42.033826
"1210734"	328.154326	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+ACN+H"	42.033826
"1194410"	164.580801	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+ACN+2H"	43.041102
"189677"	617.21216	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+2Na-H"	44.97116
"630451"	903.33266	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+2Na-H"	44.97116
"1133954"	331.09166	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2Na-H"	44.97116
"174086"	309.109718	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+2Na"	45.978436
"613397"	452.169968	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+2Na"	45.978436
"1117273"	166.049468	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2Na"	45.978436
"1400675"	111.035404	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H+2Na"	46.985712
"1430969"	333.133246	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H+HCOOH"	47.012746
"220663"	314.14274	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+3H2O+2H"	56.04448
"1508563"	347.18529	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+IsoProp+H"	61.06479
"414498"	317.096688	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+Na+K"	61.952376
"782057"	460.156938	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+Na+K"	61.952376
"1676929"	174.036438	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Na+K"	61.952376
"261626"	636.256768	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+ACN+Na"	64.015768
"1239439"	350.136268	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+ACN+Na"	64.015768
"1724317"	350.159793	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+NH4+HCOOH"	64.039293
"1192465"	118.362718	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+3Na"	68.967654
"1657377"	355.115188	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Na+HCOOH"	68.994688
"163144"	649.16004	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+2K-H"	76.91904
"608170"	935.28054	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+2K-H"	76.91904
"1094869"	363.03954	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2K-H"	76.91904
"150592"	325.083658	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"2M+2K"	77.926316
"587966"	468.143908	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"3M+2K"	77.926316
"1073573"	182.023408	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2K"	77.926316
"1111155"	365.054092	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2K+H"	78.933592
"1347541"	365.141707	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+DMSO+H"	79.021207
"1012791"	369.180876	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2ACN+H"	83.060376
"1537480"	370.174508	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+IsoProp+Na+H"	84.054008
"1003927"	185.094076	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+2ACN+2H"	84.067652
"1599524"	371.089128	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+K+HCOOH"	84.968628
"1424091"	401.120638	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+H+CF3COOH"	115.000138
"1154378"	205.607351	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+3ACN+2H"	125.094202
"1711584"	418.147185	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+NH4+CF3COOH"	132.026685
"1639584"	423.10258	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+Na+CF3COOH"	136.98208
"1583982"	439.07652	"C10526"	"(-)-Sativan"	"C17H18O4"	"286.1205"	"M+K+CF3COOH"	152.95602
"816544"	298.0841	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M"	0
"986792"	279.06571	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-H2O-H"	-19.01839
"78364"	197.715457333333	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M-3H"	-3.021828
"517880"	297.076824	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M-3H"	-3.021828
"895512"	98.3540906666667	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-3H"	-3.021828
"15435"	297.076824	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M-2H"	-2.014552
"453815"	446.118874	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M-2H"	-2.014552
"830524"	148.034774	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-2H"	-2.014552
"91608"	595.160924	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M-H"	-1.007276
"533685"	893.245024	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M-H"	-1.007276
"910793"	297.076824	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-H"	-1.007276
"60915"	612.187471	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M-2H+NH4"	16.019271
"501570"	910.271571	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M-2H+NH4"	16.019271
"879731"	314.103371	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-2H+NH4"	16.019271
"44235"	617.142866	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M-2H+Na"	20.974666
"479423"	915.226966	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M-2H+Na"	20.974666
"856130"	319.058766	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-2H+Na"	20.974666
"1624572"	319.058766	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Na-2H"	20.974666
"98913"	315.065163	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M-H+Cl"	33.962126
"539568"	464.107213	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M-H+Cl"	33.962126
"929072"	166.023113	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-H+Cl"	33.962126
"278203"	631.137602	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+Cl"	34.969402
"666250"	929.221702	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+Cl"	34.969402
"1276466"	333.053502	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Cl"	34.969402
"29959"	633.116806	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M-2H+K"	36.948606
"462958"	931.200906	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M-2H+K"	36.948606
"847654"	335.032706	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-2H+K"	36.948606
"1568261"	335.032706	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+K-2H"	36.948606
"952133"	343.082294	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-H+HCOOH"	44.998194
"372171"	641.166401	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+HCOOH-H"	44.998201
"358976"	655.182051	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+Hac-H"	59.013851
"1507078"	357.097951	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Hac-H"	59.013851
"970608"	365.064251	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-H+NaCOOH"	66.980151
"115505"	333.053502	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+2Cl"	69.938804
"559079"	482.095552	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+2Cl"	69.938804
"1026422"	184.011452	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2Cl"	69.938804
"1249646"	377.002985	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Br"	78.918885
"1313189"	379.058972	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Cl+HCOOH"	80.974872
"1332507"	401.040929	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Cl+NaCOOH"	102.956829
"925023"	411.069686	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M-H+CF3COOH"	112.985586
"1294077"	447.046364	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Cl+CF3COOH"	148.962264
"1370783"	263.071424	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H-2H2O"	-35.012676
"1387187"	281.0814	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H-H2O"	-17.0027
"289428"	597.175476	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+H"	1.007276
"680026"	895.259576	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+H"	1.007276
"1364032"	299.091376	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H"	1.007276
"138014"	299.091376	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+2H"	2.014552
"580129"	448.133426	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+2H"	2.014552
"1049292"	150.049326	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2H"	2.014552
"217924"	199.730009333333	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+3H"	3.021828
"657120"	299.091376	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+3H"	3.021828
"1175247"	100.368642666667	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+3H"	3.021828
"433776"	614.202023	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+NH4"	18.033823
"798052"	912.286123	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+NH4"	18.033823
"1692197"	316.117923	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+NH4"	18.033823
"343390"	307.6046495	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+H+NH4"	19.041099
"735084"	456.6466995	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+H+NH4"	19.041099
"1488905"	158.5625995	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H+NH4"	19.041099
"406492"	619.157418	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+Na"	22.989218
"764208"	917.241518	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+Na"	22.989218
"1613408"	321.073318	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Na"	22.989218
"327816"	310.082347	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+H+Na"	23.996494
"714766"	459.124397	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+H+Na"	23.996494
"1475147"	161.040297	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H+Na"	23.996494
"1060737"	107.695956666667	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2H+Na"	25.00377
"1264604"	331.117586	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+CH3OH+H"	33.033486
"385366"	635.131358	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+K"	38.963158
"747458"	933.215458	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+K"	38.963158
"1550608"	337.047258	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+K"	38.963158
"312159"	318.069317	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+H+K"	39.970434
"706282"	467.111367	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+H+K"	39.970434
"1456216"	169.027267	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H+K"	39.970434
"242633"	638.202026	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+ACN+H"	42.033826
"1211330"	340.117926	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+ACN+H"	42.033826
"1195821"	170.562601	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+ACN+2H"	43.041102
"190030"	641.13936	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+2Na-H"	44.97116
"629709"	939.22346	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+2Na-H"	44.97116
"1132483"	343.05526	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2Na-H"	44.97116
"174437"	321.073318	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+2Na"	45.978436
"613996"	470.115368	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+2Na"	45.978436
"1118234"	172.031268	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2Na"	45.978436
"1399205"	115.023270666667	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H+2Na"	46.985712
"1431809"	345.096846	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H+HCOOH"	47.012746
"222483"	326.10634	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+3H2O+2H"	56.04448
"1509203"	359.14889	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+IsoProp+H"	61.06479
"415701"	329.060288	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+Na+K"	61.952376
"777792"	478.102338	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+Na+K"	61.952376
"1670843"	180.018238	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Na+K"	61.952376
"257364"	660.183968	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+ACN+Na"	64.015768
"1232261"	362.099868	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+ACN+Na"	64.015768
"1725155"	362.123393	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+NH4+HCOOH"	64.039293
"1187595"	122.350584666667	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+3Na"	68.967654
"1658580"	367.078788	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Na+HCOOH"	68.994688
"167628"	673.08724	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+2K-H"	76.91904
"606095"	971.17134	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+2K-H"	76.91904
"1096075"	375.00314	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2K-H"	76.91904
"153985"	337.047258	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"2M+2K"	77.926316
"589171"	486.089308	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"3M+2K"	77.926316
"1076963"	188.005208	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2K"	77.926316
"1112358"	377.017692	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2K+H"	78.933592
"1343275"	377.105307	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+DMSO+H"	79.021207
"1009619"	381.144476	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2ACN+H"	83.060376
"1528841"	382.138108	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+IsoProp+Na+H"	84.054008
"1001851"	191.075876	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+2ACN+2H"	84.067652
"1594168"	383.052728	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+K+HCOOH"	84.968628
"1426389"	413.084238	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+H+CF3COOH"	115.000138
"1160934"	211.589151	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+3ACN+2H"	125.094202
"1710602"	430.110785	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+NH4+CF3COOH"	132.026685
"1646255"	435.06618	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+Na+CF3COOH"	136.98208
"1584092"	451.04012	"C10527"	"Sayanedine"	"C17H14O5"	"298.0841"	"M+K+CF3COOH"	152.95602
"812272"	336.0998	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M"	0
"989790"	317.08141	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-H2O-H"	-19.01839
"78402"	223.059257333333	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M-3H"	-3.021828
"518407"	335.092524	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M-3H"	-3.021828
"895544"	111.025990666667	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-3H"	-3.021828
"15337"	335.092524	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M-2H"	-2.014552
"455622"	503.142424	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M-2H"	-2.014552
"832457"	167.042624	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-2H"	-2.014552
"93183"	671.192324	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M-H"	-1.007276
"532981"	1007.292124	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M-H"	-1.007276
"910174"	335.092524	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-H"	-1.007276
"62771"	688.218871	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M-2H+NH4"	16.019271
"501072"	1024.318671	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M-2H+NH4"	16.019271
"878631"	352.119071	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-2H+NH4"	16.019271
"44347"	693.174266	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M-2H+Na"	20.974666
"479532"	1029.274066	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M-2H+Na"	20.974666
"857332"	357.074466	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-2H+Na"	20.974666
"1626866"	357.074466	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Na-2H"	20.974666
"99024"	353.080863	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M-H+Cl"	33.962126
"538585"	521.130763	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M-H+Cl"	33.962126
"928817"	185.030963	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-H+Cl"	33.962126
"278313"	707.169002	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+Cl"	34.969402
"665267"	1043.268802	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+Cl"	34.969402
"1275483"	371.069202	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Cl"	34.969402
"28976"	709.148206	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M-2H+K"	36.948606
"463068"	1045.248006	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M-2H+K"	36.948606
"847925"	373.048406	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-2H+K"	36.948606
"1569465"	373.048406	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+K-2H"	36.948606
"952243"	381.097994	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-H+HCOOH"	44.998194
"372644"	717.197801	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+HCOOH-H"	44.998201
"357631"	731.213451	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+Hac-H"	59.013851
"1504640"	395.113651	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Hac-H"	59.013851
"967439"	403.079951	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-H+NaCOOH"	66.980151
"116346"	371.069202	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+2Cl"	69.938804
"562837"	539.119102	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+2Cl"	69.938804
"1030181"	203.019302	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2Cl"	69.938804
"1250855"	415.018685	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Br"	78.918885
"1311115"	417.074672	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Cl+HCOOH"	80.974872
"1331894"	439.056629	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Cl+NaCOOH"	102.956829
"925864"	449.085386	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M-H+CF3COOH"	112.985586
"1299656"	485.062064	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Cl+CF3COOH"	148.962264
"1375634"	301.087124	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H-2H2O"	-35.012676
"1392036"	319.0971	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H-H2O"	-17.0027
"292818"	673.206876	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+H"	1.007276
"686332"	1009.306676	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+H"	1.007276
"1361590"	337.107076	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H"	1.007276
"138488"	337.107076	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+2H"	2.014552
"580483"	505.156976	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+2H"	2.014552
"1051228"	169.057176	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2H"	2.014552
"219128"	225.073809333333	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+3H"	3.021828
"658688"	337.107076	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+3H"	3.021828
"1175719"	113.040542666667	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+3H"	3.021828
"437167"	690.233423	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+NH4"	18.033823
"797799"	1026.333223	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+NH4"	18.033823
"1693766"	354.133623	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+NH4"	18.033823
"343867"	345.6203495	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+H+NH4"	19.041099
"733009"	513.6702495	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+H+NH4"	19.041099
"1488652"	177.5704495	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H+NH4"	19.041099
"404415"	695.188818	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+Na"	22.989218
"765412"	1031.288618	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+Na"	22.989218
"1615693"	359.089018	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Na"	22.989218
"328536"	348.098047	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+H+Na"	23.996494
"718159"	516.147947	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+H+Na"	23.996494
"1473073"	180.048147	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H+Na"	23.996494
"1065225"	120.367856666667	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2H+Na"	25.00377
"1269090"	369.133286	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+CH3OH+H"	33.033486
"388758"	711.162758	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+K"	38.963158
"750849"	1047.262558	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+K"	38.963158
"1552905"	375.062958	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+K"	38.963158
"307896"	356.085017	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+H+K"	39.970434
"702505"	524.134917	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+H+K"	39.970434
"1457419"	188.035117	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H+K"	39.970434
"240557"	714.233426	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+ACN+H"	42.033826
"1211202"	378.133626	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+ACN+H"	42.033826
"1195205"	189.570451	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+ACN+2H"	43.041102
"191112"	717.17076	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+2Na-H"	44.97116
"632858"	1053.27056	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+2Na-H"	44.97116
"1134174"	381.07096	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2Na-H"	44.97116
"175278"	359.089018	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+2Na"	45.978436
"613864"	527.138918	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+2Na"	45.978436
"1122718"	191.039118	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2Na"	45.978436
"1399802"	127.695170666667	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H+2Na"	46.985712
"1433984"	383.112546	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H+HCOOH"	47.012746
"220768"	364.12204	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+3H2O+2H"	56.04448
"1511016"	397.16459	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+IsoProp+H"	61.06479
"412531"	367.075988	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+Na+K"	61.952376
"783005"	535.125888	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+Na+K"	61.952376
"1677515"	199.026088	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Na+K"	61.952376
"259662"	736.215368	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+ACN+Na"	64.015768
"1231278"	400.115568	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+ACN+Na"	64.015768
"1727778"	400.139093	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+NH4+HCOOH"	64.039293
"1190986"	135.022484666667	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+3Na"	68.967654
"1664158"	405.094488	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Na+HCOOH"	68.994688
"169926"	749.11864	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+2K-H"	76.91904
"608393"	1085.21844	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+2K-H"	76.91904
"1099385"	413.01884	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2K-H"	76.91904
"153000"	375.062958	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"2M+2K"	77.926316
"589281"	543.112858	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"3M+2K"	77.926316
"1077073"	207.013058	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2K"	77.926316
"1109188"	415.033392	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2K+H"	78.933592
"1345573"	415.121007	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+DMSO+H"	79.021207
"1014105"	419.160176	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2ACN+H"	83.060376
"1538550"	420.153808	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+IsoProp+Na+H"	84.054008
"1004154"	210.083726	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+2ACN+2H"	84.067652
"1596466"	421.068428	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+K+HCOOH"	84.968628
"1426499"	451.099938	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+H+CF3COOH"	115.000138
"1161162"	230.597001	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+3ACN+2H"	125.094202
"1711808"	468.126485	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+NH4+CF3COOH"	132.026685
"1648188"	473.08188	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+Na+CF3COOH"	136.98208
"1584202"	489.05582	"C10529"	"Sojagol"	"C20H16O5"	"336.0998"	"M+K+CF3COOH"	152.95602
"804727"	370.1416	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M"	0
"989449"	351.12321	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-H2O-H"	-19.01839
"77814"	245.753790666667	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M-3H"	-3.021828
"518102"	369.134324	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M-3H"	-3.021828
"895059"	122.373257333333	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-3H"	-3.021828
"14970"	369.134324	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M-2H"	-2.014552
"454044"	554.205124	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M-2H"	-2.014552
"831117"	184.063524	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-2H"	-2.014552
"91838"	739.275924	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M-H"	-1.007276
"532486"	1109.417524	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M-H"	-1.007276
"910043"	369.134324	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-H"	-1.007276
"60162"	756.302471	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M-2H+NH4"	16.019271
"501060"	1126.444071	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M-2H+NH4"	16.019271
"877282"	386.160871	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-2H+NH4"	16.019271
"45550"	761.257866	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M-2H+Na"	20.974666
"482923"	1131.399466	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M-2H+Na"	20.974666
"858537"	391.116266	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-2H+Na"	20.974666
"1625883"	391.116266	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Na-2H"	20.974666
"102414"	387.122663	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M-H+Cl"	33.962126
"538695"	572.193463	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M-H+Cl"	33.962126
"934395"	202.051863	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-H+Cl"	33.962126
"278423"	775.252602	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+Cl"	34.969402
"665377"	1145.394202	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+Cl"	34.969402
"1276686"	405.111002	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Cl"	34.969402
"28722"	777.231806	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M-2H+K"	36.948606
"466459"	1147.373406	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M-2H+K"	36.948606
"843898"	407.090206	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-2H+K"	36.948606
"1568846"	407.090206	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+K-2H"	36.948606
"952353"	415.139794	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-H+HCOOH"	44.998194
"371661"	785.281401	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+HCOOH-H"	44.998201
"353362"	799.297051	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+Hac-H"	59.013851
"1497819"	429.155451	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Hac-H"	59.013851
"963537"	437.121751	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-H+NaCOOH"	66.980151
"113536"	405.111002	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+2Cl"	69.938804
"551277"	590.181802	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+2Cl"	69.938804
"1032478"	220.040202	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2Cl"	69.938804
"1254609"	449.060485	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Br"	78.918885
"1316328"	451.116472	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Cl+HCOOH"	80.974872
"1332363"	473.098429	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Cl+NaCOOH"	102.956829
"921963"	483.127186	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M-H+CF3COOH"	112.985586
"1293205"	519.103864	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Cl+CF3COOH"	148.962264
"1381093"	335.128924	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H-2H2O"	-35.012676
"1394699"	353.1389	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H-H2O"	-17.0027
"297789"	741.290476	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+H"	1.007276
"687538"	1111.432076	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+H"	1.007276
"1366196"	371.148876	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H"	1.007276
"140055"	371.148876	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+2H"	2.014552
"580957"	556.219676	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+2H"	2.014552
"1051703"	186.078076	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2H"	2.014552
"219605"	247.768342666667	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+3H"	3.021828
"658072"	371.148876	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+3H"	3.021828
"1174739"	124.387809333333	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+3H"	3.021828
"436186"	758.317023	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+NH4"	18.033823
"799735"	1128.458623	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+NH4"	18.033823
"1694607"	388.175423	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+NH4"	18.033823
"343248"	379.6621495	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+H+NH4"	19.041099
"736400"	564.7329495	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+H+NH4"	19.041099
"1489126"	194.5913495	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H+NH4"	19.041099
"404525"	763.272418	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+Na"	22.989218
"766615"	1133.414018	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+Na"	22.989218
"1612523"	393.130818	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Na"	22.989218
"329715"	382.139847	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+H+Na"	23.996494
"721311"	567.210647	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+H+Na"	23.996494
"1475737"	197.069047	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H+Na"	23.996494
"1066919"	131.715123333333	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2H+Na"	25.00377
"1271633"	403.175086	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+CH3OH+H"	33.033486
"389965"	779.246358	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+K"	38.963158
"753274"	1149.387958	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+K"	38.963158
"1553384"	409.104758	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+K"	38.963158
"313885"	390.126817	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+H+K"	39.970434
"702617"	575.197617	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+H+K"	39.970434
"1455344"	205.056017	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H+K"	39.970434
"243947"	782.317026	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+ACN+H"	42.033826
"1218847"	412.175426	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+ACN+H"	42.033826
"1202729"	206.591351	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+ACN+2H"	43.041102
"195599"	785.25436	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+2Na-H"	44.97116
"635158"	1155.39596	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+2Na-H"	44.97116
"1136473"	415.11276	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2Na-H"	44.97116
"177576"	393.130818	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+2Na"	45.978436
"617137"	578.201618	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+2Na"	45.978436
"1121735"	208.060018	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2Na"	45.978436
"1405261"	139.042437333333	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H+2Na"	46.985712
"1437378"	417.154346	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H+HCOOH"	47.012746
"223797"	398.16384	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+3H2O+2H"	56.04448
"1520246"	431.20639	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+IsoProp+H"	61.06479
"422122"	401.117788	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+Na+K"	61.952376
"780930"	586.188588	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+Na+K"	61.952376
"1668880"	216.046988	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Na+K"	61.952376
"257587"	804.298968	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+ACN+Na"	64.015768
"1231388"	434.157368	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+ACN+Na"	64.015768
"1722461"	434.180893	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+NH4+HCOOH"	64.039293
"1191097"	146.369751333333	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+3Na"	68.967654
"1665411"	439.136288	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Na+HCOOH"	68.994688
"168944"	817.20224	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+2K-H"	76.91904
"610691"	1187.34384	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+2K-H"	76.91904
"1098483"	447.06064	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2K-H"	76.91904
"157096"	409.104758	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"2M+2K"	77.926316
"596643"	594.175558	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"3M+2K"	77.926316
"1082044"	224.033958	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2K"	77.926316
"1114159"	449.075192	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2K+H"	78.933592
"1346778"	449.162807	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+DMSO+H"	79.021207
"1017496"	453.201976	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2ACN+H"	83.060376
"1539517"	454.195608	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+IsoProp+Na+H"	84.054008
"1004263"	227.104626	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+2ACN+2H"	84.067652
"1599856"	455.110228	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+K+HCOOH"	84.968628
"1426609"	485.141738	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+H+CF3COOH"	115.000138
"1160183"	247.617901	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+3ACN+2H"	125.094202
"1711920"	502.168285	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+NH4+CF3COOH"	132.026685
"1647569"	507.12368	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+Na+CF3COOH"	136.98208
"1584312"	523.09762	"C10530"	"Sophoraisoflavanone A"	"C21H22O6"	"370.1416"	"M+K+CF3COOH"	152.95602
"804837"	300.0998	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M"	0
"988222"	281.08141	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"77434"	199.059257333333	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"516023"	299.092524	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"895162"	99.0259906666667	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"14711"	299.092524	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"454146"	449.142424	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"830489"	149.042624	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"91580"	599.192324	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"531498"	899.292124	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"908206"	299.092524	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"59909"	616.218871	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"497766"	916.318671	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"873381"	316.119071	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"41286"	621.174266	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"475379"	921.274066	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"856460"	321.074466	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1624896"	321.074466	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"96327"	317.080863	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"536618"	467.130763	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"927614"	167.030963	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"275253"	635.169002	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"662206"	935.268802	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1275703"	335.069202	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"21541"	637.148206	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"456848"	937.248006	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"841092"	337.048406	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1561298"	337.048406	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"953556"	345.097994	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"368489"	645.197801	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"353471"	659.213451	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1496105"	359.113651	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"960121"	367.079951	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"110973"	335.069202	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"550371"	485.119102	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1031497"	185.019302	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1253989"	379.018685	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1317167"	381.074672	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1328828"	403.056629	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"922072"	413.085386	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1291856"	449.062064	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1380230"	265.087124	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1392257"	283.0971	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"294133"	601.206876	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"688741"	901.306676	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1363996"	301.107076	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"140893"	301.107076	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"580093"	451.156976	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1051085"	151.057176	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"218252"	201.073809333333	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"657087"	301.107076	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1175942"	101.040542666667	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"436297"	618.233423	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"799116"	918.333223	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1693624"	318.133623	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"341900"	309.6203495	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"734324"	459.6702495	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1488143"	159.5704495	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"402449"	623.188818	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"765632"	923.288618	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1613726"	323.089018	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"329367"	312.098047	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"719471"	462.147947	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1474386"	162.048147	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1063258"	108.367856666667	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1270407"	333.133286	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"391170"	639.162758	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"752163"	939.262558	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1551674"	339.062958	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"311765"	320.085017	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"699447"	470.134917	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1458372"	170.035117	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"247337"	642.233426	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1217864"	342.133626	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1200653"	171.570451	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"195710"	645.17076	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"640739"	945.27056	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1135490"	345.07096	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"178780"	323.089018	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"620527"	473.138918	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1122211"	173.039118	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1404278"	115.695170666667	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1434212"	347.112546	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"225003"	328.12204	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1520720"	361.16459	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"423326"	331.075988	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"781770"	481.125888	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1673363"	181.026088	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"259883"	664.215368	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1230405"	364.115568	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1722573"	364.139093	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1190114"	123.022484666667	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1662193"	369.094488	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"169054"	677.11864	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"609707"	977.21844	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1094218"	377.01884	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"156138"	339.062958	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"595698"	489.112858	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1079480"	189.013058	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1110503"	379.033392	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1345795"	379.121007	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1020283"	383.160176	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1537921"	384.153808	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"1003277"	192.083726	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1599967"	385.068428	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1427814"	415.099938	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1160293"	212.597001	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1711665"	432.126485	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1648772"	437.08188	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1584422"	453.05582	"C10531"	"(-)-Sparticarpin"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"804947"	410.1366	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M"	0
"989269"	391.11821	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-H2O-H"	-19.01839
"77959"	272.417124	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M-3H"	-3.021828
"517714"	409.129324	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M-3H"	-3.021828
"893941"	135.704924	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-3H"	-3.021828
"14338"	409.129324	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M-2H"	-2.014552
"454256"	614.197624	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M-2H"	-2.014552
"832063"	204.061024	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-2H"	-2.014552
"92904"	819.265924	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M-H"	-1.007276
"530515"	1229.402524	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M-H"	-1.007276
"907223"	409.129324	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-H"	-1.007276
"58318"	836.292471	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M-2H+NH4"	16.019271
"497876"	1246.429071	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M-2H+NH4"	16.019271
"873491"	426.155871	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-2H+NH4"	16.019271
"42484"	841.247866	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M-2H+Na"	20.974666
"476582"	1251.384466	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M-2H+Na"	20.974666
"857663"	431.111266	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-2H+Na"	20.974666
"1625006"	431.111266	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Na-2H"	20.974666
"102628"	427.117663	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M-H+Cl"	33.962126
"535756"	632.185963	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M-H+Cl"	33.962126
"928412"	222.049363	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-H+Cl"	33.962126
"275363"	855.242602	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+Cl"	34.969402
"662316"	1265.379202	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+Cl"	34.969402
"1275813"	445.106002	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Cl"	34.969402
"22744"	857.221806	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M-2H+K"	36.948606
"456958"	1267.358406	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M-2H+K"	36.948606
"842296"	447.085206	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-2H+K"	36.948606
"1561408"	447.085206	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+K-2H"	36.948606
"951479"	455.134794	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-H+HCOOH"	44.998194
"368599"	865.271401	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+HCOOH-H"	44.998201
"356861"	879.287051	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+Hac-H"	59.013851
"1495851"	469.150451	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Hac-H"	59.013851
"959623"	477.116751	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-H+NaCOOH"	66.980151
"111691"	445.106002	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+2Cl"	69.938804
"551253"	650.174302	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+2Cl"	69.938804
"1034524"	240.037702	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2Cl"	69.938804
"1255196"	489.055485	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Br"	78.918885
"1314728"	491.111472	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Cl+HCOOH"	80.974872
"1330031"	513.093429	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Cl+NaCOOH"	102.956829
"921818"	523.122186	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M-H+CF3COOH"	112.985586
"1296704"	559.098864	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Cl+CF3COOH"	148.962264
"1371221"	375.123924	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H-2H2O"	-35.012676
"1391276"	393.1339	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H-H2O"	-17.0027
"289867"	821.280476	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+H"	1.007276
"689579"	1231.417076	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+H"	1.007276
"1362647"	411.143876	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H"	1.007276
"134807"	411.143876	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+2H"	2.014552
"577650"	616.212176	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+2H"	2.014552
"1052657"	206.075576	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2H"	2.014552
"218363"	274.431676	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+3H"	3.021828
"659388"	411.143876	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+3H"	3.021828
"1176417"	137.719476	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+3H"	3.021828
"439652"	838.307023	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+NH4"	18.033823
"798497"	1248.443623	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+NH4"	18.033823
"1694828"	428.170423	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+NH4"	18.033823
"340917"	419.6571495	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+H+NH4"	19.041099
"732248"	624.7254495	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+H+NH4"	19.041099
"1487158"	214.5888495	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H+NH4"	19.041099
"402559"	843.262418	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+Na"	22.989218
"765742"	1253.399018	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+Na"	22.989218
"1613837"	433.125818	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Na"	22.989218
"329109"	422.134847	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+H+Na"	23.996494
"720679"	627.203147	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+H+Na"	23.996494
"1476083"	217.066547	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H+Na"	23.996494
"1066291"	145.04679	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2H+Na"	25.00377
"1267241"	443.170086	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+CH3OH+H"	33.033486
"386907"	859.236358	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+K"	38.963158
"752275"	1269.372958	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+K"	38.963158
"1551050"	449.099758	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+K"	38.963158
"312241"	430.121817	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+H+K"	39.970434
"701744"	635.190117	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+H+K"	39.970434
"1458117"	225.053517	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H+K"	39.970434
"243074"	862.307026	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+ACN+H"	42.033826
"1215785"	452.170426	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+ACN+H"	42.033826
"1204770"	226.588851	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+ACN+2H"	43.041102
"200923"	865.24436	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+2Na-H"	44.97116
"641942"	1275.38096	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+2Na-H"	44.97116
"1144355"	455.10776	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2Na-H"	44.97116
"179991"	433.125818	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+2Na"	45.978436
"622830"	638.194118	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+2Na"	45.978436
"1123415"	228.057518	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2Na"	45.978436
"1404391"	152.374104	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H+2Na"	46.985712
"1432498"	457.149346	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H+HCOOH"	47.012746
"228393"	438.15884	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+3H2O+2H"	56.04448
"1521925"	471.20139	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+IsoProp+H"	61.06479
"423073"	441.112788	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+Na+K"	61.952376
"780424"	646.181088	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+Na+K"	61.952376
"1673474"	236.044488	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Na+K"	61.952376
"263274"	884.288968	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+ACN+Na"	64.015768
"1237806"	474.152368	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+ACN+Na"	64.015768
"1725235"	474.175893	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+NH4+HCOOH"	64.039293
"1191321"	159.701418	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+3Na"	68.967654
"1663036"	479.131288	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Na+HCOOH"	68.994688
"170264"	897.19224	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+2K-H"	76.91904
"610188"	1307.32884	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+2K-H"	76.91904
"1098344"	487.05564	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2K-H"	76.91904
"154433"	449.099758	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"2M+2K"	77.926316
"593264"	654.168058	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"3M+2K"	77.926316
"1082513"	244.031458	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2K"	77.926316
"1114263"	489.070192	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2K+H"	78.933592
"1348092"	489.157807	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+DMSO+H"	79.021207
"1019787"	493.196976	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2ACN+H"	83.060376
"1536580"	494.190608	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+IsoProp+Na+H"	84.054008
"1002300"	247.102126	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+2ACN+2H"	84.067652
"1600814"	495.105228	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+K+HCOOH"	84.968628
"1425741"	525.136738	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+H+CF3COOH"	115.000138
"1158218"	267.615401	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+3ACN+2H"	125.094202
"1712505"	542.163285	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+NH4+CF3COOH"	132.026685
"1648154"	547.11868	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+Na+CF3COOH"	136.98208
"1584532"	563.09262	"C10532"	"Sumatrol"	"C23H22O7"	"410.1366"	"M+K+CF3COOH"	152.95602
"813805"	462.1162	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M"	0
"981871"	443.09781	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-H2O-H"	-19.01839
"74490"	307.070190666667	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M-3H"	-3.021828
"516243"	461.108924	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M-3H"	-3.021828
"895508"	153.031457333333	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-3H"	-3.021828
"15703"	461.108924	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M-2H"	-2.014552
"454001"	692.167024	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M-2H"	-2.014552
"829981"	230.050824	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-2H"	-2.014552
"92895"	923.225124	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M-H"	-1.007276
"530628"	1385.341324	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M-H"	-1.007276
"908429"	461.108924	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-H"	-1.007276
"60252"	940.251671	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M-2H+NH4"	16.019271
"500175"	1402.367871	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M-2H+NH4"	16.019271
"875792"	478.135471	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-2H+NH4"	16.019271
"39316"	945.207066	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M-2H+Na"	20.974666
"477787"	1407.323266	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M-2H+Na"	20.974666
"854494"	483.090866	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-2H+Na"	20.974666
"1625119"	483.090866	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Na-2H"	20.974666
"100554"	479.097263	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M-H+Cl"	33.962126
"535014"	710.155363	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M-H+Cl"	33.962126
"928285"	248.039163	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-H+Cl"	33.962126
"274380"	959.201802	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+Cl"	34.969402
"662426"	1421.318002	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+Cl"	34.969402
"1275923"	497.085602	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Cl"	34.969402
"21761"	961.181006	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M-2H+K"	36.948606
"460227"	1423.297206	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M-2H+K"	36.948606
"840219"	499.064806	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-2H+K"	36.948606
"1564798"	499.064806	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+K-2H"	36.948606
"949402"	507.114394	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-H+HCOOH"	44.998194
"368709"	969.230601	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+HCOOH-H"	44.998201
"354055"	983.246251	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+Hac-H"	59.013851
"1499969"	521.130051	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Hac-H"	59.013851
"964959"	529.096351	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-H+NaCOOH"	66.980151
"112773"	497.085602	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+2Cl"	69.938804
"550268"	728.143702	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+2Cl"	69.938804
"1033903"	266.027502	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2Cl"	69.938804
"1253485"	541.035085	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Br"	78.918885
"1317025"	543.091072	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Cl+HCOOH"	80.974872
"1332334"	565.073029	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Cl+NaCOOH"	102.956829
"923388"	575.101786	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M-H+CF3COOH"	112.985586
"1301556"	611.078464	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Cl+CF3COOH"	148.962264
"1381176"	427.103524	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H-2H2O"	-35.012676
"1397584"	445.1135	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H-H2O"	-17.0027
"289977"	925.239676	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+H"	1.007276
"689688"	1387.355876	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+H"	1.007276
"1363121"	463.123476	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H"	1.007276
"134917"	463.123476	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+2H"	2.014552
"578853"	694.181576	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+2H"	2.014552
"1052771"	232.065376	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2H"	2.014552
"217744"	309.084742666667	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+3H"	3.021828
"658770"	463.123476	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+3H"	3.021828
"1176894"	155.046009333333	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+3H"	3.021828
"438950"	942.266223	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+NH4"	18.033823
"798607"	1404.382423	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+NH4"	18.033823
"1693845"	480.150023	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+NH4"	18.033823
"341027"	471.6367495	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+H+NH4"	19.041099
"733451"	702.6948495	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+H+NH4"	19.041099
"1486175"	240.5786495	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H+NH4"	19.041099
"402669"	947.221618	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+Na"	22.989218
"765852"	1409.337818	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+Na"	22.989218
"1615040"	485.105418	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Na"	22.989218
"329550"	474.114447	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+H+Na"	23.996494
"721400"	705.172547	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+H+Na"	23.996494
"1475704"	243.056347	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H+Na"	23.996494
"1065671"	162.373323333333	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2H+Na"	25.00377
"1269537"	495.149686	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+CH3OH+H"	33.033486
"391030"	963.195558	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+K"	38.963158
"752024"	1425.311758	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+K"	38.963158
"1552255"	501.079358	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+K"	38.963158
"313442"	482.101417	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+H+K"	39.970434
"705866"	713.159517	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+H+K"	39.970434
"1459325"	251.043317	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H+K"	39.970434
"247558"	966.266226	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+ACN+H"	42.033826
"1222822"	504.150026	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+ACN+H"	42.033826
"1206339"	252.578651	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+ACN+2H"	43.041102
"202126"	969.20356	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+2Na-H"	44.97116
"642908"	1431.31976	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+2Na-H"	44.97116
"1145927"	507.08736	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2Na-H"	44.97116
"185569"	485.105418	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+2Na"	45.978436
"624035"	716.163518	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+2Na"	45.978436
"1125711"	254.047318	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2Na"	45.978436
"1407786"	169.700637333333	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H+2Na"	46.985712
"1437714"	509.128946	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H+HCOOH"	47.012746
"235433"	490.13844	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+3H2O+2H"	56.04448
"1519846"	523.18099	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+IsoProp+H"	61.06479
"423553"	493.092388	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+Na+K"	61.952376
"784549"	724.150488	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+Na+K"	61.952376
"1678325"	262.034288	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Na+K"	61.952376
"264483"	988.248168	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+ACN+Na"	64.015768
"1237916"	526.131968	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+ACN+Na"	64.015768
"1724985"	526.155493	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+NH4+HCOOH"	64.039293
"1191068"	177.027951333333	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+3Na"	68.967654
"1663148"	531.110888	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Na+HCOOH"	68.994688
"171104"	1001.15144	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+2K-H"	76.91904
"611026"	1463.26764	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+2K-H"	76.91904
"1098453"	539.03524	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2K-H"	76.91904
"154906"	501.079358	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"2M+2K"	77.926316
"595193"	732.137458	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"3M+2K"	77.926316
"1083713"	270.021258	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2K"	77.926316
"1114614"	541.049792	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2K+H"	78.933592
"1350389"	541.137407	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+DMSO+H"	79.021207
"1020502"	545.176576	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2ACN+H"	83.060376
"1537783"	546.170208	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+IsoProp+Na+H"	84.054008
"1003866"	273.091926	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+2ACN+2H"	84.067652
"1600195"	547.084828	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+K+HCOOH"	84.968628
"1428402"	577.116338	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+H+CF3COOH"	115.000138
"1161606"	293.605201	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+3ACN+2H"	125.094202
"1712251"	594.142885	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+NH4+CF3COOH"	132.026685
"1647899"	599.09828	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+Na+CF3COOH"	136.98208
"1584642"	615.07222	"C10533"	"Tectoridin;Shekanin"	"C22H22O11"	"462.1162"	"M+K+CF3COOH"	152.95602
"805167"	300.0634	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M"	0
"981981"	281.04501	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"75694"	199.034990666667	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"518058"	299.056124	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"895334"	99.0138573333333	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"14795"	299.056124	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"454963"	449.087824	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"828993"	149.024424	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"88985"	599.119524	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"525266"	899.182924	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"905257"	299.056124	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"57445"	616.146071	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"497004"	916.209471	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"874444"	316.082671	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"37239"	621.101466	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"477897"	921.164866	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"855697"	321.038066	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1624136"	321.038066	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"100664"	317.044463	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"535975"	467.076163	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"928274"	167.012763	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"272303"	635.096202	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"660751"	935.159602	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1276033"	335.032802	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"21871"	637.075406	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"460337"	937.138806	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"840329"	337.012006	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1564908"	337.012006	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"951696"	345.061594	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"364080"	645.125001	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"350885"	659.140651	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1494976"	359.077251	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"960330"	367.043551	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"111061"	335.032802	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"550378"	485.064502	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1035716"	185.001102	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1253960"	378.982285	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1317500"	381.038272	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1333901"	403.020229	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"924227"	413.048986	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1300573"	449.025664	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1380192"	265.050724	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1394776"	283.0607	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"293003"	601.134076	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"683237"	901.197476	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1356670"	301.070676	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"131382"	301.070676	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"578600"	451.102376	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1052691"	151.038976	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"219434"	201.049542666667	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"659485"	301.070676	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1176273"	101.028409333333	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"436629"	618.160623	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"795436"	918.224023	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1691768"	318.097223	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"337857"	309.5839495	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"732468"	459.6156495	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1485192"	159.5522495	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"404602"	623.116018	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"765598"	923.179418	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1612963"	323.052618	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"329809"	312.061647	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"722238"	462.093347	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1476542"	162.029947	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1067603"	108.355723333333	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1265273"	333.096886	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"389316"	639.089958	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"753229"	939.153358	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1552364"	339.026558	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"314166"	320.048617	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"705977"	470.080317	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1461099"	170.016917	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"250588"	642.160626	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1223295"	342.097226	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1209125"	171.552251	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"204042"	645.09796	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"643260"	945.16136	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1146690"	345.03456	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"188524"	323.052618	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"625239"	473.084318	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1125824"	173.020918	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1408989"	115.683037333333	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1437824"	347.076146	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"234082"	328.08564	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1521049"	361.12819	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"423786"	331.039588	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"784781"	481.071288	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1679771"	181.007888	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"265203"	664.142568	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1240991"	364.079168	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1727526"	364.102693	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1191909"	123.010351333333	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1663623"	369.058088	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"170489"	677.04584	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"611143"	977.10924	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1098566"	376.98244	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"155743"	339.026558	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"595304"	489.058258	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1082608"	188.994858	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1114239"	378.996992	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1350499"	379.084607	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1020735"	383.123776	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1538861"	384.117408	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"1004704"	192.065526	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1601034"	385.032028	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1429487"	415.063538	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1162571"	212.578801	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1712118"	432.090085	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1649102"	437.04548	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1584752"	453.01942	"C10534"	"Tectorigenin"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"805277"	410.1366	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M"	0
"978811"	391.11821	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-H2O-H"	-19.01839
"75804"	272.417124	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M-3H"	-3.021828
"515366"	409.129324	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M-3H"	-3.021828
"894142"	135.704924	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-3H"	-3.021828
"14419"	409.129324	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M-2H"	-2.014552
"450941"	614.197624	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M-2H"	-2.014552
"822543"	204.061024	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-2H"	-2.014552
"83629"	819.265924	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M-H"	-1.007276
"522097"	1229.402524	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M-H"	-1.007276
"902088"	409.129324	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-H"	-1.007276
"54275"	836.292471	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M-2H+NH4"	16.019271
"493834"	1246.429071	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M-2H+NH4"	16.019271
"873826"	426.155871	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-2H+NH4"	16.019271
"35162"	841.247866	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M-2H+Na"	20.974666
"476914"	1251.384466	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M-2H+Na"	20.974666
"855807"	431.111266	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-2H+Na"	20.974666
"1624246"	431.111266	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Na-2H"	20.974666
"100774"	427.117663	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M-H+Cl"	33.962126
"535234"	632.185963	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M-H+Cl"	33.962126
"927815"	222.049363	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-H+Cl"	33.962126
"272413"	855.242602	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+Cl"	34.969402
"660701"	1265.379202	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+Cl"	34.969402
"1276143"	445.106002	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Cl"	34.969402
"23074"	857.221806	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M-2H+K"	36.948606
"460447"	1267.358406	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M-2H+K"	36.948606
"840439"	447.085206	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-2H+K"	36.948606
"1563925"	447.085206	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+K-2H"	36.948606
"952899"	455.134794	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-H+HCOOH"	44.998194
"365649"	865.271401	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+HCOOH-H"	44.998201
"350631"	879.287051	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+Hac-H"	59.013851
"1492940"	469.150451	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Hac-H"	59.013851
"959347"	477.116751	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-H+NaCOOH"	66.980151
"110197"	445.106002	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+2Cl"	69.938804
"550135"	650.174302	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+2Cl"	69.938804
"1034852"	240.037702	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2Cl"	69.938804
"1253703"	489.055485	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Br"	78.918885
"1317608"	491.111472	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Cl+HCOOH"	80.974872
"1333282"	513.093429	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Cl+NaCOOH"	102.956829
"922514"	523.122186	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M-H+CF3COOH"	112.985586
"1301410"	559.098864	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Cl+CF3COOH"	148.962264
"1378844"	375.123924	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H-2H2O"	-35.012676
"1387228"	393.1339	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H-H2O"	-17.0027
"290196"	821.280476	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+H"	1.007276
"680430"	1231.417076	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+H"	1.007276
"1360060"	411.143876	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H"	1.007276
"131856"	411.143876	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+2H"	2.014552
"579438"	616.212176	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+2H"	2.014552
"1052260"	206.075576	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2H"	2.014552
"219669"	274.431676	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+3H"	3.021828
"659844"	411.143876	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+3H"	3.021828
"1175654"	137.719476	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+3H"	3.021828
"437832"	838.307023	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+NH4"	18.033823
"796640"	1248.443623	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+NH4"	18.033823
"1691878"	428.170423	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+NH4"	18.033823
"339059"	419.6571495	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+H+NH4"	19.041099
"734764"	624.7254495	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+H+NH4"	19.041099
"1486395"	214.5888495	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H+NH4"	19.041099
"405076"	843.262418	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+Na"	22.989218
"766072"	1253.399018	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+Na"	22.989218
"1613073"	433.125818	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Na"	22.989218
"329768"	422.134847	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+H+Na"	23.996494
"720646"	627.203147	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+H+Na"	23.996494
"1472642"	217.066547	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H+Na"	23.996494
"1067712"	145.04679	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2H+Na"	25.00377
"1265383"	443.170086	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+CH3OH+H"	33.033486
"390518"	859.236358	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+K"	38.963158
"752611"	1269.372958	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+K"	38.963158
"1552473"	449.099758	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+K"	38.963158
"312566"	430.121817	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+H+K"	39.970434
"706939"	635.190117	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+H+K"	39.970434
"1461174"	225.053517	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H+K"	39.970434
"250575"	862.307026	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+ACN+H"	42.033826
"1224135"	452.170426	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+ACN+H"	42.033826
"1209479"	226.588851	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+ACN+2H"	43.041102
"204250"	865.24436	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+2Na-H"	44.97116
"642273"	1275.38096	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+2Na-H"	44.97116
"1146146"	455.10776	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2Na-H"	44.97116
"188350"	433.125818	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+2Na"	45.978436
"628275"	638.194118	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+2Na"	45.978436
"1121925"	228.057518	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2Na"	45.978436
"1409099"	152.374104	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H+2Na"	46.985712
"1437934"	457.149346	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H+HCOOH"	47.012746
"232006"	438.15884	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+3H2O+2H"	56.04448
"1517880"	471.20139	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+IsoProp+H"	61.06479
"423940"	441.112788	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+Na+K"	61.952376
"785097"	646.181088	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+Na+K"	61.952376
"1680733"	236.044488	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Na+K"	61.952376
"267054"	884.288968	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+ACN+Na"	64.015768
"1241023"	474.152368	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+ACN+Na"	64.015768
"1728351"	474.175893	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+NH4+HCOOH"	64.039293
"1193354"	159.701418	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+3Na"	68.967654
"1664827"	479.131288	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Na+HCOOH"	68.994688
"171325"	897.19224	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+2K-H"	76.91904
"610885"	1307.32884	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+2K-H"	76.91904
"1097945"	487.05564	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2K-H"	76.91904
"155489"	449.099758	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"2M+2K"	77.926316
"593592"	654.168058	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"3M+2K"	77.926316
"1082110"	244.031458	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2K"	77.926316
"1112039"	489.070192	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2K+H"	78.933592
"1348422"	489.157807	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+DMSO+H"	79.021207
"1019142"	493.196976	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2ACN+H"	83.060376
"1537270"	494.190608	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+IsoProp+Na+H"	84.054008
"1004085"	247.102126	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+2ACN+2H"	84.067652
"1601996"	495.105228	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+K+HCOOH"	84.968628
"1427167"	525.136738	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+H+CF3COOH"	115.000138
"1162481"	267.615401	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+3ACN+2H"	125.094202
"1712474"	542.163285	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+NH4+CF3COOH"	132.026685
"1649212"	547.11868	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+Na+CF3COOH"	136.98208
"1584862"	563.09262	"C10535"	"Tephrosin"	"C23H22O7"	"410.1366"	"M+K+CF3COOH"	152.95602
"814135"	284.0685	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M"	0
"982201"	265.05011	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"77009"	188.371724	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"510007"	283.061224	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"895226"	93.682224	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"14407"	283.061224	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"452144"	425.095474	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"822653"	141.026974	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"84832"	567.129724	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"526583"	851.198224	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"906209"	283.061224	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"55479"	584.156271	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"493945"	868.224771	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"875757"	300.087771	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"40741"	589.111666	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"481398"	873.180166	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"855917"	305.043166	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1624357"	305.043166	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"98698"	301.049563	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"535104"	443.083813	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"928496"	159.015313	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"272525"	603.106402	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"668224"	887.174902	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1276253"	319.037902	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"23187"	605.085606	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"460558"	889.154106	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"839458"	321.017106	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1562944"	321.017106	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"954104"	329.066694	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"366489"	613.135201	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"351104"	627.150851	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1494831"	343.082351	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"959457"	351.048651	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"112375"	319.037902	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"553030"	461.072152	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1027671"	177.003652	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1252353"	362.987385	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1315163"	365.043372	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1331567"	387.025329	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"918249"	397.054086	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1298239"	433.030764	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1373120"	249.055824	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1386245"	267.0658	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"290306"	569.144276	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"680541"	853.212776	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1356889"	285.075776	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"135247"	285.075776	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"581021"	427.110026	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1052124"	143.041526	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"219536"	190.386276	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"659507"	285.075776	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1176615"	95.696776	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"436849"	586.170823	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"799909"	870.239323	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1693082"	302.102323	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"341356"	293.5890495	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"731593"	435.6232995	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1486504"	151.5547995	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"402999"	591.126218	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"765089"	875.194718	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1615370"	307.057718	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"328819"	296.066747	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"720392"	438.100997	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1472751"	154.032497	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1067096"	103.02409	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1270838"	317.101986	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"391967"	607.100158	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"753695"	891.168658	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1554775"	323.031658	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"313409"	304.053717	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"705100"	446.087967	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1460872"	162.019467	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"251386"	610.170826	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1223516"	326.102326	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1209104"	163.554801	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"203798"	613.10816	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"640196"	897.17666	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1146744"	329.03966	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"187359"	307.057718	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"625339"	449.091968	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1122402"	165.023468	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1409209"	110.351404	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1439137"	331.081246	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"229929"	312.09074	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1516896"	345.13329	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"423640"	315.044688	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"784761"	457.078938	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1680117"	173.010438	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"266272"	632.152768	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1240807"	348.084268	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1728113"	348.107793	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1193918"	117.678718	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1664574"	353.063188	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"170708"	645.05604	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"610997"	929.12454	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1098061"	360.98754	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"155600"	323.031658	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"594796"	465.065908	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1081130"	180.997408	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1112519"	363.002092	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1347808"	363.089707	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1018892"	367.128876	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1539575"	368.122508	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"1005414"	184.068076	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1601619"	369.037128	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1428370"	399.068638	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1161697"	204.581351	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1712218"	416.095185	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1649322"	421.05058	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1584972"	437.02452	"C10536"	"Texasin;67-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"805497"	410.1366	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M"	0
"982311"	391.11821	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-H2O-H"	-19.01839
"77118"	272.417124	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M-3H"	-3.021828
"511210"	409.129324	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M-3H"	-3.021828
"893753"	135.704924	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-3H"	-3.021828
"10870"	409.129324	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M-2H"	-2.014552
"447149"	614.197624	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M-2H"	-2.014552
"820576"	204.061024	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-2H"	-2.014552
"82754"	819.265924	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M-H"	-1.007276
"524502"	1229.402524	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M-H"	-1.007276
"898050"	409.129324	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-H"	-1.007276
"55589"	836.292471	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M-2H+NH4"	16.019271
"492962"	1246.429071	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M-2H+NH4"	16.019271
"876232"	426.155871	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-2H+NH4"	16.019271
"41944"	841.247866	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M-2H+Na"	20.974666
"482601"	1251.384466	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M-2H+Na"	20.974666
"853840"	431.111266	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-2H+Na"	20.974666
"1624467"	431.111266	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Na-2H"	20.974666
"98808"	427.117663	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M-H+Cl"	33.962126
"535456"	632.185963	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M-H+Cl"	33.962126
"928727"	222.049363	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-H+Cl"	33.962126
"270810"	855.242602	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+Cl"	34.969402
"666147"	1265.379202	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+Cl"	34.969402
"1277454"	445.106002	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Cl"	34.969402
"20378"	857.221806	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M-2H+K"	36.948606
"458113"	1267.358406	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M-2H+K"	36.948606
"841753"	447.085206	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-2H+K"	36.948606
"1565239"	447.085206	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+K-2H"	36.948606
"947653"	455.134794	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-H+HCOOH"	44.998194
"365871"	865.271401	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+HCOOH-H"	44.998201
"348662"	879.287051	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+Hac-H"	59.013851
"1494211"	469.150451	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Hac-H"	59.013851
"959929"	477.116751	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-H+NaCOOH"	66.980151
"111878"	445.106002	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+2Cl"	69.938804
"552412"	650.174302	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+2Cl"	69.938804
"1029969"	240.037702	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2Cl"	69.938804
"1255017"	489.055485	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Br"	78.918885
"1314181"	491.111472	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Cl+HCOOH"	80.974872
"1331677"	513.093429	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Cl+NaCOOH"	102.956829
"918359"	523.122186	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M-H+CF3COOH"	112.985586
"1299442"	559.098864	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Cl+CF3COOH"	148.962264
"1373230"	375.123924	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H-2H2O"	-35.012676
"1389636"	393.1339	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H-H2O"	-17.0027
"288230"	821.280476	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+H"	1.007276
"680651"	1231.417076	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+H"	1.007276
"1356999"	411.143876	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H"	1.007276
"128064"	411.143876	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+2H"	2.014552
"578564"	616.212176	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+2H"	2.014552
"1052439"	206.075576	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2H"	2.014552
"219160"	274.431676	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+3H"	3.021828
"658838"	411.143876	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+3H"	3.021828
"1176846"	137.719476	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+3H"	3.021828
"434772"	838.307023	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+NH4"	18.033823
"795767"	1248.443623	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+NH4"	18.033823
"1695011"	428.170423	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+NH4"	18.033823
"341465"	419.6571495	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+H+NH4"	19.041099
"732796"	624.7254495	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+H+NH4"	19.041099
"1486614"	214.5888495	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H+NH4"	19.041099
"404202"	843.262418	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+Na"	22.989218
"766292"	1253.399018	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+Na"	22.989218
"1615480"	433.125818	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Na"	22.989218
"329779"	422.134847	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+H+Na"	23.996494
"720138"	627.203147	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+H+Na"	23.996494
"1472861"	217.066547	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H+Na"	23.996494
"1066107"	145.04679	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2H+Na"	25.00377
"1267785"	443.170086	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+CH3OH+H"	33.033486
"391109"	859.236358	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+K"	38.963158
"753075"	1269.372958	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+K"	38.963158
"1554033"	449.099758	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+K"	38.963158
"312058"	430.121817	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+H+K"	39.970434
"705211"	635.190117	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+H+K"	39.970434
"1460697"	225.053517	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H+K"	39.970434
"245814"	862.307026	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+ACN+H"	42.033826
"1222533"	452.170426	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+ACN+H"	42.033826
"1208735"	226.588851	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+ACN+2H"	43.041102
"203668"	865.24436	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+2Na-H"	44.97116
"643223"	1275.38096	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+2Na-H"	44.97116
"1144536"	455.10776	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2Na-H"	44.97116
"185275"	433.125818	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+2Na"	45.978436
"627642"	638.194118	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+2Na"	45.978436
"1121782"	228.057518	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2Na"	45.978436
"1409319"	152.374104	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H+2Na"	46.985712
"1439976"	457.149346	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H+HCOOH"	47.012746
"232591"	438.15884	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+3H2O+2H"	56.04448
"1518829"	471.20139	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+IsoProp+H"	61.06479
"423751"	441.112788	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+Na+K"	61.952376
"784508"	646.181088	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+Na+K"	61.952376
"1680109"	236.044488	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Na+K"	61.952376
"266385"	884.288968	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+ACN+Na"	64.015768
"1240429"	474.152368	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+ACN+Na"	64.015768
"1728104"	474.175893	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+NH4+HCOOH"	64.039293
"1192485"	159.701418	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+3Na"	68.967654
"1663958"	479.131288	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Na+HCOOH"	68.994688
"170088"	897.19224	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+2K-H"	76.91904
"611470"	1307.32884	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+2K-H"	76.91904
"1098414"	487.05564	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2K-H"	76.91904
"156078"	449.099758	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"2M+2K"	77.926316
"596364"	654.168058	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"3M+2K"	77.926316
"1081603"	244.031458	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2K"	77.926316
"1114696"	489.070192	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2K+H"	78.933592
"1345365"	489.157807	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+DMSO+H"	79.021207
"1019730"	493.196976	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2ACN+H"	83.060376
"1539079"	494.190608	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+IsoProp+Na+H"	84.054008
"1003941"	247.102126	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+2ACN+2H"	84.067652
"1602667"	495.105228	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+K+HCOOH"	84.968628
"1429685"	525.136738	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+H+CF3COOH"	115.000138
"1162692"	267.615401	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+3ACN+2H"	125.094202
"1712672"	542.163285	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+NH4+CF3COOH"	132.026685
"1649068"	547.11868	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+Na+CF3COOH"	136.98208
"1585082"	563.09262	"C10537"	"Toxicarol;alpha-Toxicarol"	"C23H22O7"	"410.1366"	"M+K+CF3COOH"	152.95602
"808887"	446.1213	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M"	0
"982421"	427.10291	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-H2O-H"	-19.01839
"75041"	296.406924	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M-3H"	-3.021828
"512414"	445.114024	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M-3H"	-3.021828
"893497"	147.699824	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-3H"	-3.021828
"10980"	445.114024	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H"	-2.014552
"447258"	668.174674	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H"	-2.014552
"825060"	222.053374	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H"	-2.014552
"86144"	891.235324	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M-H"	-1.007276
"525702"	1337.356624	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M-H"	-1.007276
"900225"	445.114024	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-H"	-1.007276
"56792"	908.261871	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+NH4"	16.019271
"494165"	1354.383171	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+NH4"	16.019271
"876341"	462.140571	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H+NH4"	16.019271
"40960"	913.217266	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+Na"	20.974666
"483804"	1359.338566	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+Na"	20.974666
"857230"	467.095966	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H+Na"	20.974666
"1624577"	467.095966	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na-2H"	20.974666
"102198"	463.102363	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M-H+Cl"	33.962126
"538483"	686.163013	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M-H+Cl"	33.962126
"929809"	240.041713	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+Cl"	33.962126
"271650"	927.212002	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Cl"	34.969402
"664070"	1373.333302	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+Cl"	34.969402
"1275378"	481.090702	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl"	34.969402
"20488"	929.191206	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+K"	36.948606
"457127"	1375.312506	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+K"	36.948606
"840770"	483.069906	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H+K"	36.948606
"1565349"	483.069906	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+K-2H"	36.948606
"948856"	491.119494	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+HCOOH"	44.998194
"366345"	937.240801	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+HCOOH-H"	44.998201
"348772"	951.256451	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Hac-H"	59.013851
"1495413"	505.135151	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Hac-H"	59.013851
"960769"	513.101451	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+NaCOOH"	66.980151
"112231"	481.090702	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2Cl"	69.938804
"552886"	704.151352	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2Cl"	69.938804
"1027892"	258.030052	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2Cl"	69.938804
"1255127"	525.040185	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Br"	78.918885
"1314291"	527.096172	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+HCOOH"	80.974872
"1330694"	549.078129	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+NaCOOH"	102.956829
"918469"	559.106886	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+CF3COOH"	112.985586
"1299552"	595.083564	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+CF3COOH"	148.962264
"1373340"	411.108624	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H-2H2O"	-35.012676
"1389746"	429.1186	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H-H2O"	-17.0027
"290526"	893.249876	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H"	1.007276
"676382"	1339.371176	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H"	1.007276
"1352367"	447.128576	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H"	1.007276
"128168"	447.128576	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2H"	2.014552
"572840"	670.189226	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2H"	2.014552
"1052461"	224.067926	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2H"	2.014552
"217197"	298.421476	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+3H"	3.021828
"656758"	447.128576	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+3H"	3.021828
"1173794"	149.714376	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+3H"	3.021828
"437064"	910.276423	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+NH4"	18.033823
"795872"	1356.397723	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+NH4"	18.033823
"1688921"	464.155123	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+NH4"	18.033823
"337200"	455.6418495	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H+NH4"	19.041099
"731813"	678.7024995	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H+NH4"	19.041099
"1486724"	232.5811995	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+NH4"	19.041099
"403216"	915.231818	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Na"	22.989218
"765307"	1361.353118	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+Na"	22.989218
"1613403"	469.110518	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na"	22.989218
"329901"	458.119547	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H+Na"	23.996494
"720977"	681.180197	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H+Na"	23.996494
"1475158"	235.058897	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+Na"	23.996494
"1067798"	157.04169	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2H+Na"	25.00377
"1268988"	479.154786	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+CH3OH+H"	33.033486
"392515"	931.205758	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+K"	38.963158
"752580"	1377.327058	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+K"	38.963158
"1554266"	485.084458	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+K"	38.963158
"313262"	466.106517	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H+K"	39.970434
"704957"	689.167167	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H+K"	39.970434
"1460970"	243.045867	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+K"	39.970434
"242644"	934.276426	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+ACN+H"	42.033826
"1220820"	488.155126	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+H"	42.033826
"1209451"	244.581201	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+2H"	43.041102
"203776"	937.21376	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2Na-H"	44.97116
"643779"	1383.33506	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2Na-H"	44.97116
"1144646"	491.09246	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2Na-H"	44.97116
"185749"	469.110518	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2Na"	45.978436
"627265"	692.171168	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2Na"	45.978436
"1129185"	246.049868	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2Na"	45.978436
"1412713"	164.369004	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+2Na"	46.985712
"1443490"	493.134046	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+HCOOH"	47.012746
"233062"	474.14354	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+3H2O+2H"	56.04448
"1523317"	507.18609	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+H"	61.06479
"423941"	477.097488	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Na+K"	61.952376
"784862"	700.158138	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+Na+K"	61.952376
"1680583"	254.036838	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na+K"	61.952376
"265763"	956.258368	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+ACN+Na"	64.015768
"1240987"	510.137068	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+Na"	64.015768
"1726267"	510.160593	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+NH4+HCOOH"	64.039293
"1191622"	171.696318	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+3Na"	68.967654
"1663701"	515.115988	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na+HCOOH"	68.994688
"169469"	969.16164	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2K-H"	76.91904
"610851"	1415.28294	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2K-H"	76.91904
"1097916"	523.04034	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2K-H"	76.91904
"155337"	485.084458	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2K"	77.926316
"596110"	708.145108	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2K"	77.926316
"1080621"	262.023808	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2K"	77.926316
"1113832"	525.054892	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2K+H"	78.933592
"1346568"	525.142507	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+DMSO+H"	79.021207
"1019112"	529.181676	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2ACN+H"	83.060376
"1539066"	530.175308	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+Na+H"	84.054008
"1003686"	265.094476	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+2ACN+2H"	84.067652
"1602326"	531.089928	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+K+HCOOH"	84.968628
"1429564"	561.121438	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+CF3COOH"	115.000138
"1162608"	285.607751	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+3ACN+2H"	125.094202
"1712433"	578.147985	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+NH4+CF3COOH"	132.026685
"1648449"	583.10338	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na+CF3COOH"	136.98208
"1585192"	599.07732	"C10538"	"Trifolirhizin;(-)-Maackiain 3-O-glucoside"	"C22H22O10"	"446.1213"	"M+K+CF3COOH"	152.95602
"805717"	300.0998	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M"	0
"982531"	281.08141	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"77337"	199.059257333333	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"514710"	299.092524	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"894700"	99.0259906666667	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"8904"	299.092524	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"448461"	449.142424	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"826263"	149.042624	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"87347"	599.192324	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"527998"	899.292124	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"904707"	299.092524	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"56896"	616.218871	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"495368"	916.318671	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"869889"	316.119071	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"38882"	621.174266	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"480635"	921.274066	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"857340"	321.074466	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1624687"	321.074466	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"101215"	317.080863	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"540779"	467.130763	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"931012"	167.030963	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"275039"	635.169002	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"663086"	935.268802	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1276581"	335.069202	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"16338"	637.148206	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"457724"	937.248006	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"837594"	337.048406	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1565459"	337.048406	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"950059"	345.097994	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"363539"	645.197801	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"347058"	659.213451	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1495521"	359.113651	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"960876"	367.079951	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"112705"	335.069202	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"553724"	485.119102	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1028002"	185.019302	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1253050"	379.018685	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1315494"	381.074672	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1330803"	403.056629	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"918579"	413.085386	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1298569"	449.062064	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1373450"	265.087124	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1387669"	283.0971	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"286262"	601.206876	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"676977"	901.306676	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1352477"	301.107076	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"127185"	301.107076	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"569670"	451.156976	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1050866"	151.057176	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"210745"	201.073809333333	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"648116"	301.107076	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1170619"	101.040542666667	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"436081"	618.233423	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"791606"	918.333223	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1687938"	318.133623	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"337310"	309.6203495	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"731922"	459.6702495	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1487925"	159.5704495	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"403326"	623.188818	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"765413"	923.288618	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1613511"	323.089018	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"328782"	312.098047	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"720964"	462.147947	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1468708"	162.048147	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1063046"	108.367856666667	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1266908"	333.133286	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"390960"	639.162758	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"752324"	939.262558	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1552182"	339.062958	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"312279"	320.085017	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"703606"	470.134917	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1459980"	170.035117	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"249679"	642.233426	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1223844"	342.133626	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1208094"	171.570451	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"202788"	645.17076	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"641253"	945.27056	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1141839"	345.07096	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"177475"	323.089018	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"626515"	473.138918	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1126014"	173.039118	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1411361"	115.695170666667	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1441654"	347.112546	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"234997"	328.12204	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1520508"	361.16459	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"420922"	331.075988	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"781552"	481.125888	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1680085"	181.026088	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"266806"	664.215368	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1240772"	364.115568	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1727104"	364.139093	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1192823"	123.022484666667	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1664173"	369.094488	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"170305"	677.11864	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"611687"	977.21844	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1097297"	377.01884	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"153742"	339.062958	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"595363"	489.112858	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1080364"	189.013058	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1111753"	379.033392	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1346313"	379.121007	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1019221"	383.160176	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1538445"	384.153808	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"1002338"	192.083726	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1602194"	385.068428	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1429067"	415.099938	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1162027"	212.597001	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1712663"	432.126485	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1649288"	437.08188	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1585302"	453.05582	"C10539"	"(-)-Variabilin"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"805827"	272.1049	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M"	0
"982641"	253.08651	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"76354"	180.395990666667	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"515913"	271.097624	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"895298"	89.6943573333333	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"11200"	271.097624	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"448572"	407.150074	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"826373"	135.045174	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"88550"	543.202524	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"529203"	815.307424	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"903725"	271.097624	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"53727"	560.229071	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"496571"	832.333971	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"871092"	288.124171	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"38992"	565.184466	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"482931"	837.289366	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"857450"	293.079566	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1624797"	293.079566	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"99138"	289.085963	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"540889"	425.138413	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"931486"	153.033513	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"274056"	579.179202	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"661008"	851.284102	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1273411"	307.074302	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"15964"	581.158406	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"457713"	853.263306	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"835881"	309.053506	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1562290"	309.053506	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"951263"	317.103094	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"364377"	589.208001	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"349356"	603.223651	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1494904"	331.118751	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"959529"	339.085051	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"110500"	307.074302	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"554199"	443.126752	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1030299"	171.021852	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1254253"	351.023785	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1315604"	353.079772	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1332006"	375.061729	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"917596"	385.090486	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1298679"	421.067164	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1375747"	237.092224	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1386685"	255.1022	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"286372"	545.217076	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"676967"	817.321976	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1352223"	273.112176	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"127296"	273.112176	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"570873"	409.164626	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1048424"	137.059726	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"210855"	182.410542666667	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"650413"	273.112176	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1167449"	91.7089093333333	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"430717"	562.243623	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"791716"	834.348523	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1689141"	290.138723	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"337420"	281.6254495	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"733122"	417.6778995	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1486941"	145.5729995	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"406715"	567.199018	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"762241"	839.303918	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1611434"	295.094118	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"325854"	284.103147	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"720467"	420.155597	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1472098"	148.050697	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1065343"	99.0362233333333	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1269204"	305.138386	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"391072"	583.172958	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"753894"	855.277858	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1554115"	311.068058	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"310194"	292.090117	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"704812"	428.142567	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1460091"	156.037667	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"250845"	586.243626	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1224807"	314.138726	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1209886"	157.573001	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"204117"	589.18096	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"640632"	861.28586	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1144139"	317.07606	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"185239"	295.094118	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"626261"	431.146568	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1126124"	159.041668	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1411470"	106.363537333333	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1441764"	319.117646	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"234013"	300.12714	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1523816"	333.16969	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"422126"	303.081088	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"782755"	439.133538	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1679829"	167.028638	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"266874"	608.225568	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1241163"	336.120668	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1727699"	336.144193	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1193785"	113.690851333333	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1664281"	341.099588	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"171507"	621.12884	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"611430"	893.23374	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1098860"	349.02394	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"154216"	311.068058	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"594865"	447.120508	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1080840"	175.015608	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1112956"	351.038492	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1346787"	351.126107	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1018967"	355.165276	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1539042"	356.158908	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"1003906"	178.086276	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1602721"	357.073528	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1429540"	387.105038	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1162667"	198.599551	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1711803"	404.131585	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1649641"	409.08698	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1585412"	425.06092	"C10540"	"Vestitol"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"805937"	314.0427	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M"	0
"982751"	295.02431	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-H2O-H"	-19.01839
"73184"	208.354524	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M-3H"	-3.021828
"512744"	313.035424	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M-3H"	-3.021828
"891640"	103.673624	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-3H"	-3.021828
"11313"	313.035424	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M-2H"	-2.014552
"445402"	470.056774	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M-2H"	-2.014552
"819923"	156.014074	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-2H"	-2.014552
"86472"	627.078124	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M-H"	-1.007276
"526032"	941.120824	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M-H"	-1.007276
"902743"	313.035424	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-H"	-1.007276
"52744"	644.104671	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M-2H+NH4"	16.019271
"496682"	958.147371	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M-2H+NH4"	16.019271
"870109"	330.061971	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-2H+NH4"	16.019271
"35822"	649.060066	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M-2H+Na"	20.974666
"480854"	963.102766	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M-2H+Na"	20.974666
"857560"	335.017366	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-2H+Na"	20.974666
"1624907"	335.017366	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Na-2H"	20.974666
"98155"	331.023763	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M-H+Cl"	33.962126
"543916"	488.045113	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M-H+Cl"	33.962126
"934513"	174.002413	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-H+Cl"	33.962126
"269183"	663.054802	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+Cl"	34.969402
"662576"	977.097502	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+Cl"	34.969402
"1273315"	349.012102	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Cl"	34.969402
"16398"	665.034006	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M-2H+K"	36.948606
"455873"	979.076706	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M-2H+K"	36.948606
"832828"	350.991306	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-2H+K"	36.948606
"1561668"	350.991306	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+K-2H"	36.948606
"945905"	359.040894	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-H+HCOOH"	44.998194
"362296"	673.083601	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+HCOOH-H"	44.998201
"349102"	687.099251	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+Hac-H"	59.013851
"1493921"	373.056551	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Hac-H"	59.013851
"958497"	381.022851	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-H+NaCOOH"	66.980151
"109997"	349.012102	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+2Cl"	69.938804
"554672"	506.033452	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+2Cl"	69.938804
"1030045"	191.990752	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2Cl"	69.938804
"1255091"	392.961585	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Br"	78.918885
"1316808"	395.017572	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Cl+HCOOH"	80.974872
"1332116"	416.999529	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Cl+NaCOOH"	102.956829
"919893"	427.028286	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M-H+CF3COOH"	112.985586
"1296603"	463.004964	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Cl+CF3COOH"	148.962264
"1374764"	279.030024	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H-2H2O"	-35.012676
"1386795"	297.04	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H-H2O"	-17.0027
"285021"	629.092676	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+H"	1.007276
"677443"	943.135376	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+H"	1.007276
"1353428"	315.049976	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H"	1.007276
"127043"	315.049976	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+2H"	2.014552
"570983"	472.071326	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+2H"	2.014552
"1048170"	158.028626	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2H"	2.014552
"208778"	210.369076	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+3H"	3.021828
"645056"	315.049976	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+3H"	3.021828
"1167559"	105.688176	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+3H"	3.021828
"429734"	646.119223	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+NH4"	18.033823
"788542"	960.161923	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+NH4"	18.033823
"1690344"	332.076523	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+NH4"	18.033823
"339717"	323.5632495	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+H+NH4"	19.041099
"733233"	480.5845995	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+H+NH4"	19.041099
"1487051"	166.5418995	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H+NH4"	19.041099
"401359"	651.074618	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+Na"	22.989218
"761258"	965.117318	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+Na"	22.989218
"1608260"	337.031918	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Na"	22.989218
"328274"	326.040947	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+H+Na"	23.996494
"721307"	483.062297	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+H+Na"	23.996494
"1476097"	169.019597	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H+Na"	23.996494
"1065089"	113.01549	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2H+Na"	25.00377
"1267128"	347.076186	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+CH3OH+H"	33.033486
"390455"	667.048558	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+K"	38.963158
"753393"	981.091258	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+K"	38.963158
"1552768"	353.005858	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+K"	38.963158
"309211"	334.027917	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+H+K"	39.970434
"705651"	491.049267	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+H+K"	39.970434
"1459471"	177.006567	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H+K"	39.970434
"251157"	670.119226	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+ACN+H"	42.033826
"1222973"	356.076526	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+ACN+H"	42.033826
"1206127"	178.541901	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+ACN+2H"	43.041102
"202279"	673.05656	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+2Na-H"	44.97116
"640742"	987.09926	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+2Na-H"	44.97116
"1140965"	359.01386	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2Na-H"	44.97116
"179882"	337.031918	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+2Na"	45.978436
"626735"	494.053268	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+2Na"	45.978436
"1126229"	180.010568	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2Na"	45.978436
"1411940"	120.342804	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H+2Na"	46.985712
"1442968"	361.055446	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H+HCOOH"	47.012746
"235421"	342.06494	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+3H2O+2H"	56.04448
"1519632"	375.10749	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+IsoProp+H"	61.06479
"423330"	345.018888	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+Na+K"	61.952376
"780678"	502.040238	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+Na+K"	61.952376
"1681221"	187.997538	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Na+K"	61.952376
"267024"	692.101168	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+ACN+Na"	64.015768
"1240905"	378.058468	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+ACN+Na"	64.015768
"1728051"	378.081993	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+NH4+HCOOH"	64.039293
"1193936"	127.670118	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+3Na"	68.967654
"1665120"	383.037388	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Na+HCOOH"	68.994688
"169431"	705.00444	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+2K-H"	76.91904
"611905"	1019.04714	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+2K-H"	76.91904
"1098607"	390.96174	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2K-H"	76.91904
"152504"	353.005858	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"2M+2K"	77.926316
"593881"	510.027208	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"3M+2K"	77.926316
"1078398"	195.984508	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2K"	77.926316
"1109421"	392.976292	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2K+H"	78.933592
"1347263"	393.063907	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+DMSO+H"	79.021207
"1018348"	397.103076	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2ACN+H"	83.060376
"1538297"	398.096708	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+IsoProp+Na+H"	84.054008
"1002923"	199.055176	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+2ACN+2H"	84.067652
"1602547"	399.011328	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+K+HCOOH"	84.968628
"1429612"	429.042838	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+H+CF3COOH"	115.000138
"1162752"	219.568451	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+3ACN+2H"	125.094202
"1712035"	446.069385	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+NH4+CF3COOH"	132.026685
"1649509"	451.02478	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+Na+CF3COOH"	136.98208
"1585522"	466.99872	"C10541"	"Wedelolactone"	"C16H10O7"	"314.0427"	"M+K+CF3COOH"	152.95602
"806047"	338.1154	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M"	0
"982861"	319.09701	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"74387"	224.402990666667	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"512852"	337.108124	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"891749"	111.697857333333	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"11415"	337.108124	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"447699"	506.165824	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"825499"	168.050424	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"87675"	675.223524	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"527235"	1013.338924	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"905039"	337.108124	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"55040"	692.250071	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"497885"	1030.365471	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"874592"	354.134671	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"39212"	697.205466	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"480964"	1035.320866	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"857670"	359.090066	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1625017"	359.090066	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"98265"	355.096463	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"541110"	524.154163	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"935716"	186.038763	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"269172"	711.200202	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"660984"	1049.315602	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1273631"	373.084802	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"16300"	713.179406	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"456473"	1051.294806	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"833668"	375.064006	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1561778"	375.064006	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"947108"	383.113594	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"362406"	721.229001	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"348846"	735.244651	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1495124"	397.129251	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"959381"	405.095551	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"110346"	373.084802	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"554417"	542.142502	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1036436"	204.027102	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1256742"	417.034285	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1317647"	419.090272	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1332226"	441.072229	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"918910"	451.100986	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1296713"	487.077664	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1374874"	303.102724	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1386905"	321.1127	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"286225"	677.238076	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"677917"	1015.353476	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1354267"	339.122676	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"127518"	339.122676	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"574372"	508.180376	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1046457"	170.064976	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"208888"	226.417542666667	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"647352"	339.122676	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1167666"	113.712409333333	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"429844"	694.264623	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"789380"	1032.380023	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1691546"	356.149223	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"336543"	347.6359495	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"730063"	516.6936495	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1484976"	178.5782495	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"402562"	699.220018	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"760275"	1037.335418	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1605454"	361.104618	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"327530"	350.113647	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"720930"	519.171347	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1472319"	181.055947	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1064470"	121.039723333333	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1269425"	371.148886	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"390929"	715.193958	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"753742"	1053.309358	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1552148"	377.078558	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"307134"	358.100617	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"705760"	527.158317	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1459217"	189.042917	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"250987"	718.264626	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1223083"	380.149226	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1208910"	190.578251	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"203241"	721.20196	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"641945"	1059.31736	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1139982"	383.08656	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"179992"	361.104618	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"625021"	530.162318	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1126339"	192.046918	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1410957"	128.367037333333	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1444534"	385.128146	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"234602"	366.13764	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1520834"	399.18019	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"421620"	369.091588	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"781519"	538.149288	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1677850"	200.033888	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"266203"	740.246568	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1240368"	402.131168	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1728246"	402.154693	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1191693"	135.694351333333	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1665232"	407.110088	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"170635"	753.14984	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"609830"	1091.26524	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1098353"	415.03444	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"150793"	377.078558	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"589619"	546.136258	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1077416"	208.020858	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1109532"	417.048992	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1345552"	417.136607	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1016270"	421.175776	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1537680"	422.169408	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"1003762"	211.091526	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1602711"	423.084028	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1429834"	453.115538	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1162236"	231.604801	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1711781"	470.142085	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1647796"	475.09748	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1585632"	491.07142	"C10542"	"Wighteone"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"806157"	742.2684	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M"	0
"986251"	723.25001	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-H2O-H"	-19.01839
"76683"	493.838324	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M-3H"	-3.021828
"516242"	741.261124	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M-3H"	-3.021828
"891859"	246.415524	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-3H"	-3.021828
"9339"	741.261124	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M-2H"	-2.014552
"447809"	1112.395324	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M-2H"	-2.014552
"825610"	370.126924	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-2H"	-2.014552
"87785"	1483.529524	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M-H"	-1.007276
"525158"	2225.797924	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M-H"	-1.007276
"905149"	741.261124	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-H"	-1.007276
"55150"	1500.556071	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M-2H+NH4"	16.019271
"496900"	2242.824471	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M-2H+NH4"	16.019271
"869233"	758.287671	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-2H+NH4"	16.019271
"34947"	1505.511466	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M-2H+Na"	20.974666
"483261"	2247.779866	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M-2H+Na"	20.974666
"857781"	763.243066	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-2H+Na"	20.974666
"1625127"	763.243066	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Na-2H"	20.974666
"96309"	759.249463	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M-H+Cl"	33.962126
"542313"	1130.383663	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M-H+Cl"	33.962126
"932547"	388.115263	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-H+Cl"	33.962126
"274750"	1519.506202	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+Cl"	34.969402
"663161"	2261.774602	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+Cl"	34.969402
"1273249"	777.237802	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Cl"	34.969402
"17754"	1521.485406	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M-2H+K"	36.948606
"456340"	2263.753806	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M-2H+K"	36.948606
"834023"	779.217006	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-2H+K"	36.948606
"1561888"	779.217006	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+K-2H"	36.948606
"946125"	787.266594	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-H+HCOOH"	44.998194
"363610"	1529.535001	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+HCOOH-H"	44.998201
"350051"	1543.550651	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+Hac-H"	59.013851
"1496693"	801.282251	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Hac-H"	59.013851
"958543"	809.248551	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-H+NaCOOH"	66.980151
"110833"	777.237802	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+2Cl"	69.938804
"552339"	1148.372002	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+2Cl"	69.938804
"1030630"	406.103602	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2Cl"	69.938804
"1255676"	821.187285	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Br"	78.918885
"1317028"	823.243272	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Cl+HCOOH"	80.974872
"1331243"	845.225229	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Cl+NaCOOH"	102.956829
"917927"	855.253986	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M-H+CF3COOH"	112.985586
"1296822"	891.230664	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Cl+CF3COOH"	148.962264
"1371703"	707.255724	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H-2H2O"	-35.012676
"1389202"	725.2657	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H-H2O"	-17.0027
"289983"	1485.544076	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+H"	1.007276
"680216"	2227.812476	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+H"	1.007276
"1354377"	743.275676	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H"	1.007276
"126657"	743.275676	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+2H"	2.014552
"566702"	1114.409876	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+2H"	2.014552
"1048754"	372.141476	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2H"	2.014552
"212280"	495.852876	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+3H"	3.021828
"650744"	743.275676	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+3H"	3.021828
"1167776"	248.430076	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+3H"	3.021828
"429956"	1502.570623	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+NH4"	18.033823
"786938"	2244.839023	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+NH4"	18.033823
"1687282"	760.302223	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+NH4"	18.033823
"333008"	751.7889495	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+H+NH4"	19.041099
"730172"	1122.9231495	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+H+NH4"	19.041099
"1487274"	380.6547495	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H+NH4"	19.041099
"402671"	1507.526018	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+Na"	22.989218
"760385"	2249.794418	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+Na"	22.989218
"1605563"	765.257618	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Na"	22.989218
"329705"	754.266647	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+H+Na"	23.996494
"715328"	1125.400847	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+H+Na"	23.996494
"1473523"	383.132447	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H+Na"	23.996494
"1064580"	255.75739	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2H+Na"	25.00377
"1268442"	775.301886	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+CH3OH+H"	33.033486
"391399"	1523.499958	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+K"	38.963158
"752763"	2265.768358	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+K"	38.963158
"1554080"	781.231558	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+K"	38.963158
"312348"	762.253617	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+H+K"	39.970434
"705142"	1133.387817	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+H+K"	39.970434
"1458597"	391.119417	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H+K"	39.970434
"250979"	1526.570626	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+ACN+H"	42.033826
"1225219"	784.302226	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+ACN+H"	42.033826
"1209144"	392.654751	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+ACN+2H"	43.041102
"203470"	1529.50796	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+2Na-H"	44.97116
"637680"	2271.77636	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+2Na-H"	44.97116
"1141185"	787.23956	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2Na-H"	44.97116
"182287"	765.257618	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+2Na"	45.978436
"621849"	1136.391818	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+2Na"	45.978436
"1120249"	394.123418	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2Na"	45.978436
"1412768"	263.084704	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H+2Na"	46.985712
"1444276"	789.281146	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H+HCOOH"	47.012746
"235077"	770.29064	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+3H2O+2H"	56.04448
"1523139"	803.33319	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+IsoProp+H"	61.06479
"422462"	773.244588	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+Na+K"	61.952376
"783087"	1144.378788	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+Na+K"	61.952376
"1678324"	402.110388	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Na+K"	61.952376
"266887"	1548.552568	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+ACN+Na"	64.015768
"1239382"	806.284168	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+ACN+Na"	64.015768
"1727175"	806.307693	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+NH4+HCOOH"	64.039293
"1190339"	270.412018	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+3Na"	68.967654
"1662053"	811.263088	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Na+HCOOH"	68.994688
"170006"	1561.45584	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+2K-H"	76.91904
"609207"	2303.72424	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+2K-H"	76.91904
"1096641"	819.18744	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2K-H"	76.91904
"153091"	781.231558	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"2M+2K"	77.926316
"590097"	1152.365758	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"3M+2K"	77.926316
"1078619"	410.097358	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2K"	77.926316
"1108548"	821.201992	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2K+H"	78.933592
"1346024"	821.289607	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+DMSO+H"	79.021207
"1016379"	825.328776	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2ACN+H"	83.060376
"1537790"	826.322408	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+IsoProp+Na+H"	84.054008
"1005579"	413.168026	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+2ACN+2H"	84.067652
"1602400"	827.237028	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+K+HCOOH"	84.968628
"1428777"	857.268538	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+H+CF3COOH"	115.000138
"1161617"	433.681301	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+3ACN+2H"	125.094202
"1711527"	874.295085	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+NH4+CF3COOH"	132.026685
"1649731"	879.25048	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+Na+CF3COOH"	136.98208
"1585742"	895.22442	"C10543"	"Acanthoside D;(-)-Syringaresinol di-beta-D-glucoside"	"C34H46O18"	"742.2684"	"M+K+CF3COOH"	152.95602
"807360"	416.1471	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M"	0
"980892"	397.12871	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-H2O-H"	-19.01839
"75699"	276.424124	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M-3H"	-3.021828
"516352"	415.139824	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M-3H"	-3.021828
"894034"	137.708424	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-3H"	-3.021828
"11636"	415.139824	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M-2H"	-2.014552
"451198"	623.213374	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M-2H"	-2.014552
"823533"	207.066274	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-2H"	-2.014552
"83522"	831.286924	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M-H"	-1.007276
"519923"	1247.434024	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M-H"	-1.007276
"897604"	415.139824	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-H"	-1.007276
"51980"	848.313471	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M-2H+NH4"	16.019271
"493728"	1264.460571	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M-2H+NH4"	16.019271
"869344"	432.166371	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-2H+NH4"	16.019271
"33964"	853.268866	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M-2H+Na"	20.974666
"483370"	1269.415966	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M-2H+Na"	20.974666
"857891"	437.121766	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-2H+Na"	20.974666
"1625237"	437.121766	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Na-2H"	20.974666
"98485"	433.128163	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M-H+Cl"	33.962126
"535251"	641.201713	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M-H+Cl"	33.962126
"930470"	225.054613	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-H+Cl"	33.962126
"277776"	867.263602	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+Cl"	34.969402
"663636"	1283.410702	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+Cl"	34.969402
"1273237"	451.116502	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Cl"	34.969402
"17501"	869.242806	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M-2H+K"	36.948606
"456573"	1285.389906	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M-2H+K"	36.948606
"833282"	453.095706	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-2H+K"	36.948606
"1563822"	453.095706	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+K-2H"	36.948606
"946600"	461.145294	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-H+HCOOH"	44.998194
"362261"	877.292401	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+HCOOH-H"	44.998201
"351619"	891.308051	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+Hac-H"	59.013851
"1494983"	475.160951	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Hac-H"	59.013851
"958790"	483.127251	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-H+NaCOOH"	66.980151
"111184"	451.116502	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+2Cl"	69.938804
"553178"	659.190052	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+2Cl"	69.938804
"1035842"	243.042952	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2Cl"	69.938804
"1256396"	495.065985	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Br"	78.918885
"1312764"	497.121972	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Cl+HCOOH"	80.974872
"1330989"	519.103929	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Cl+NaCOOH"	102.956829
"919129"	529.132686	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M-H+CF3COOH"	112.985586
"1295838"	565.109364	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Cl+CF3COOH"	148.962264
"1372907"	381.134424	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H-2H2O"	-35.012676
"1390405"	399.1444	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H-H2O"	-17.0027
"290093"	833.301476	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+H"	1.007276
"681419"	1249.448576	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+H"	1.007276
"1353393"	417.154376	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H"	1.007276
"127374"	417.154376	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+2H"	2.014552
"566935"	625.227926	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+2H"	2.014552
"1051050"	209.080826	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2H"	2.014552
"212389"	278.438676	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+3H"	3.021828
"649760"	417.154376	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+3H"	3.021828
"1167886"	139.722976	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+3H"	3.021828
"431158"	850.328023	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+NH4"	18.033823
"787048"	1266.475123	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+NH4"	18.033823
"1686299"	434.180923	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+NH4"	18.033823
"333118"	425.6676495	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+H+NH4"	19.041099
"727364"	633.7411995	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+H+NH4"	19.041099
"1478021"	217.5940995	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H+NH4"	19.041099
"400595"	855.283418	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+Na"	22.989218
"759401"	1271.430518	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+Na"	22.989218
"1605307"	439.136318	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Na"	22.989218
"328353"	428.145347	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+H+Na"	23.996494
"712158"	636.218897	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+H+Na"	23.996494
"1472538"	220.071797	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H+Na"	23.996494
"1065783"	147.05029	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2H+Na"	25.00377
"1267458"	449.180586	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+CH3OH+H"	33.033486
"391507"	871.257358	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+K"	38.963158
"753236"	1287.404458	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+K"	38.963158
"1553825"	455.110258	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+K"	38.963158
"313187"	436.132317	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+H+K"	39.970434
"706794"	644.205867	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+H+K"	39.970434
"1459434"	228.058767	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H+K"	39.970434
"251362"	874.328026	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+ACN+H"	42.033826
"1224034"	458.180926	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+ACN+H"	42.033826
"1208647"	229.594101	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+ACN+2H"	43.041102
"203093"	877.26536	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+2Na-H"	44.97116
"637790"	1293.41246	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+2Na-H"	44.97116
"1142388"	461.11826	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2Na-H"	44.97116
"183490"	439.136318	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+2Na"	45.978436
"624141"	647.209868	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+2Na"	45.978436
"1120723"	231.062768	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2Na"	45.978436
"1413242"	154.377604	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H+2Na"	46.985712
"1445075"	463.159846	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H+HCOOH"	47.012746
"235189"	444.16934	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+3H2O+2H"	56.04448
"1524081"	477.21189	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+IsoProp+H"	61.06479
"422941"	447.123288	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+Na+K"	61.952376
"784545"	655.196838	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+Na+K"	61.952376
"1680505"	239.049738	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Na+K"	61.952376
"265568"	896.309968	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+ACN+Na"	64.015768
"1238398"	480.162868	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+ACN+Na"	64.015768
"1726190"	480.186393	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+NH4+HCOOH"	64.039293
"1192273"	161.704918	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+3Na"	68.967654
"1663616"	485.141788	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Na+HCOOH"	68.994688
"171208"	909.21324	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+2K-H"	76.91904
"606759"	1325.36034	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+2K-H"	76.91904
"1097844"	493.06614	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2K-H"	76.91904
"152472"	455.110258	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"2M+2K"	77.926316
"593122"	663.183808	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"3M+2K"	77.926316
"1079457"	247.036708	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2K"	77.926316
"1112668"	495.080692	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2K+H"	78.933592
"1343947"	495.168307	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+DMSO+H"	79.021207
"1016853"	499.207476	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2ACN+H"	83.060376
"1537170"	500.201108	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+IsoProp+Na+H"	84.054008
"1004109"	250.107376	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+2ACN+2H"	84.067652
"1602017"	501.115728	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+K+HCOOH"	84.968628
"1428523"	531.147238	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+H+CF3COOH"	115.000138
"1161724"	270.620651	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+3ACN+2H"	125.094202
"1711637"	548.173785	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+NH4+CF3COOH"	132.026685
"1649677"	553.12918	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+Na+CF3COOH"	136.98208
"1585852"	569.10312	"C10544"	"1-Acetoxypinoresinol"	"C22H24O8"	"416.1471"	"M+K+CF3COOH"	152.95602
"806377"	372.1573	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M"	0
"977723"	353.13891	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-H2O-H"	-19.01839
"75809"	247.097590666667	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M-3H"	-3.021828
"513182"	371.150024	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M-3H"	-3.021828
"890985"	123.045157333333	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-3H"	-3.021828
"11746"	371.150024	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M-2H"	-2.014552
"450215"	557.228674	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M-2H"	-2.014552
"822548"	185.071374	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-2H"	-2.014552
"83632"	743.307324	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M-H"	-1.007276
"518601"	1115.464624	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M-H"	-1.007276
"898807"	371.150024	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-H"	-1.007276
"52090"	760.333871	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M-2H+NH4"	16.019271
"493838"	1132.491171	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M-2H+NH4"	16.019271
"868361"	388.176571	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-2H+NH4"	16.019271
"33100"	765.289266	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M-2H+Na"	20.974666
"481294"	1137.446566	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M-2H+Na"	20.974666
"858001"	393.131966	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-2H+Na"	20.974666
"1624254"	393.131966	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Na-2H"	20.974666
"98595"	389.138363	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M-H+Cl"	33.962126
"534412"	575.217013	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M-H+Cl"	33.962126
"927455"	203.059713	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-H+Cl"	33.962126
"267472"	779.284002	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+Cl"	34.969402
"662286"	1151.441302	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+Cl"	34.969402
"1273106"	407.126702	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Cl"	34.969402
"15755"	781.263206	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M-2H+K"	36.948606
"455859"	1153.420506	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M-2H+K"	36.948606
"832907"	409.105906	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-2H+K"	36.948606
"1560652"	409.105906	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+K-2H"	36.948606
"943305"	417.155494	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-H+HCOOH"	44.998194
"362369"	789.312801	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+HCOOH-H"	44.998201
"357563"	803.328451	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+Hac-H"	59.013851
"1498374"	431.171151	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Hac-H"	59.013851
"958533"	439.137451	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-H+NaCOOH"	66.980151
"110364"	407.126702	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+2Cl"	69.938804
"552924"	593.205352	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+2Cl"	69.938804
"1035223"	221.048052	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2Cl"	69.938804
"1256750"	451.076185	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Br"	78.918885
"1311780"	453.132172	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Cl+HCOOH"	80.974872
"1330370"	475.114129	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Cl+NaCOOH"	102.956829
"918146"	485.142886	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M-H+CF3COOH"	112.985586
"1295948"	521.119564	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Cl+CF3COOH"	148.962264
"1374110"	337.144624	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H-2H2O"	-35.012676
"1394889"	355.1546	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H-H2O"	-17.0027
"292390"	745.321876	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+H"	1.007276
"682622"	1117.479176	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+H"	1.007276
"1354597"	373.164576	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H"	1.007276
"127485"	373.164576	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+2H"	2.014552
"569231"	559.243226	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+2H"	2.014552
"1051649"	187.085926	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2H"	2.014552
"212499"	249.112142666667	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+3H"	3.021828
"649870"	373.164576	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+3H"	3.021828
"1163984"	125.059709333333	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+3H"	3.021828
"430173"	762.348423	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+NH4"	18.033823
"787887"	1134.505723	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+NH4"	18.033823
"1686409"	390.191123	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+NH4"	18.033823
"333592"	381.6778495	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+H+NH4"	19.041099
"725651"	567.7564995	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+H+NH4"	19.041099
"1479103"	195.5991995	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H+NH4"	19.041099
"399976"	767.303818	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+Na"	22.989218
"758053"	1139.461118	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+Na"	22.989218
"1606510"	395.146518	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Na"	22.989218
"327491"	384.155547	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+H+Na"	23.996494
"717736"	570.234197	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+H+Na"	23.996494
"1472647"	198.076897	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H+Na"	23.996494
"1063704"	132.387023333333	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2H+Na"	25.00377
"1265381"	405.190786	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+CH3OH+H"	33.033486
"391618"	783.277758	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+K"	38.963158
"753709"	1155.435058	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+K"	38.963158
"1554665"	411.120458	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+K"	38.963158
"312204"	392.142517	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+H+K"	39.970434
"707041"	578.221167	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+H+K"	39.970434
"1459544"	206.063867	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H+K"	39.970434
"249610"	786.348426	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+ACN+H"	42.033826
"1224749"	414.191126	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+ACN+H"	42.033826
"1209118"	207.599201	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+ACN+2H"	43.041102
"201620"	789.28576	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+2Na-H"	44.97116
"637900"	1161.44306	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+2Na-H"	44.97116
"1139217"	417.12846	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2Na-H"	44.97116
"179588"	395.146518	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+2Na"	45.978436
"624249"	581.225168	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+2Na"	45.978436
"1125568"	209.067868	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2Na"	45.978436
"1404725"	139.714337333333	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H+2Na"	46.985712
"1439028"	419.170046	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H+HCOOH"	47.012746
"235300"	400.17954	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+3H2O+2H"	56.04448
"1523681"	433.22209	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+IsoProp+H"	61.06479
"422931"	403.133488	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+Na+K"	61.952376
"784411"	589.212138	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+Na+K"	61.952376
"1680614"	217.054838	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Na+K"	61.952376
"265796"	808.330368	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+ACN+Na"	64.015768
"1239965"	436.173068	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+ACN+Na"	64.015768
"1725934"	436.196593	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+NH4+HCOOH"	64.039293
"1191286"	147.041651333333	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+3Na"	68.967654
"1663728"	441.151988	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Na+HCOOH"	68.994688
"170224"	821.23364	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+2K-H"	76.91904
"607961"	1193.39094	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+2K-H"	76.91904
"1097226"	449.07634	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2K-H"	76.91904
"153674"	411.120458	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"2M+2K"	77.926316
"591773"	597.199108	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"3M+2K"	77.926316
"1077380"	225.041808	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2K"	77.926316
"1112776"	451.090892	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2K+H"	78.933592
"1344057"	451.178507	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+DMSO+H"	79.021207
"1017692"	455.217676	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2ACN+H"	83.060376
"1537279"	456.211308	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+IsoProp+Na+H"	84.054008
"1004097"	228.112476	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+2ACN+2H"	84.067652
"1602247"	457.125928	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+K+HCOOH"	84.968628
"1428268"	487.157438	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+H+CF3COOH"	115.000138
"1162199"	248.625751	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+3ACN+2H"	125.094202
"1712111"	504.183985	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+NH4+CF3COOH"	132.026685
"1648126"	509.13938	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+Na+CF3COOH"	136.98208
"1585962"	525.11332	"C10545"	"Arctigenin;(-)-Arctigenin"	"C21H24O6"	"372.1573"	"M+K+CF3COOH"	152.95602
"806487"	382.1053	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M"	0
"977833"	363.08691	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-H2O-H"	-19.01839
"75919"	253.729590666667	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M-3H"	-3.021828
"511105"	381.098024	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M-3H"	-3.021828
"890002"	126.361157333333	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-3H"	-3.021828
"12950"	381.098024	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M-2H"	-2.014552
"448138"	572.150674	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M-2H"	-2.014552
"821564"	190.045374	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-2H"	-2.014552
"83742"	763.203324	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M-H"	-1.007276
"519161"	1145.308624	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M-H"	-1.007276
"898917"	381.098024	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-H"	-1.007276
"53293"	780.229871	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M-2H+NH4"	16.019271
"493948"	1162.335171	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M-2H+NH4"	16.019271
"870657"	398.124571	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-2H+NH4"	16.019271
"33089"	785.185266	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M-2H+Na"	20.974666
"482497"	1167.290566	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M-2H+Na"	20.974666
"855924"	403.079966	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-2H+Na"	20.974666
"1627644"	403.079966	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Na-2H"	20.974666
"99798"	399.086363	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M-H+Cl"	33.962126
"534698"	590.139013	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M-H+Cl"	33.962126
"928493"	208.033713	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-H+Cl"	33.962126
"268273"	799.180002	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+Cl"	34.969402
"661667"	1181.285302	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+Cl"	34.969402
"1272879"	417.074702	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Cl"	34.969402
"15886"	801.159206	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M-2H+K"	36.948606
"455865"	1183.264506	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M-2H+K"	36.948606
"832894"	419.053906	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-2H+K"	36.948606
"1560762"	419.053906	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+K-2H"	36.948606
"944267"	427.103494	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-H+HCOOH"	44.998194
"362113"	809.208801	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+HCOOH-H"	44.998201
"358037"	823.224451	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+Hac-H"	59.013851
"1497391"	441.119151	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Hac-H"	59.013851
"958771"	449.085451	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-H+NaCOOH"	66.980151
"111285"	417.074702	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+2Cl"	69.938804
"551942"	608.127352	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+2Cl"	69.938804
"1035334"	226.022052	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2Cl"	69.938804
"1256654"	461.024185	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Br"	78.918885
"1314076"	463.080172	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Cl+HCOOH"	80.974872
"1330116"	485.062129	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Cl+NaCOOH"	102.956829
"919349"	495.090886	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M-H+CF3COOH"	112.985586
"1297151"	531.067564	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Cl+CF3COOH"	148.962264
"1371304"	347.092624	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H-2H2O"	-35.012676
"1393906"	365.1026	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H-H2O"	-17.0027
"290313"	765.217876	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+H"	1.007276
"680546"	1147.323176	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+H"	1.007276
"1356894"	383.112576	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H"	1.007276
"126621"	383.112576	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+2H"	2.014552
"569341"	574.165226	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+2H"	2.014552
"1051029"	192.059926	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2H"	2.014552
"215887"	255.744142666667	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+3H"	3.021828
"652166"	383.112576	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+3H"	3.021828
"1163972"	128.375709333333	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+3H"	3.021828
"431376"	782.244423	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+NH4"	18.033823
"789090"	1164.349723	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+NH4"	18.033823
"1687612"	400.139123	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+NH4"	18.033823
"331879"	391.6258495	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+H+NH4"	19.041099
"724665"	582.6784995	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+H+NH4"	19.041099
"1481035"	200.5731995	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H+NH4"	19.041099
"400086"	787.199818	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+Na"	22.989218
"759621"	1169.305118	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+Na"	22.989218
"1606620"	405.094518	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Na"	22.989218
"327601"	394.103547	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+H+Na"	23.996494
"714567"	585.156197	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+H+Na"	23.996494
"1471664"	203.050897	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H+Na"	23.996494
"1061627"	135.703023333333	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2H+Na"	25.00377
"1265492"	415.138786	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+CH3OH+H"	33.033486
"388814"	803.173758	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+K"	38.963158
"751633"	1185.279058	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+K"	38.963158
"1554292"	421.068458	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+K"	38.963158
"312678"	402.090517	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+H+K"	39.970434
"705105"	593.143167	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+H+K"	39.970434
"1458926"	211.037867	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H+K"	39.970434
"249598"	806.244426	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+ACN+H"	42.033826
"1224494"	424.139126	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+ACN+H"	42.033826
"1209392"	212.573201	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+ACN+2H"	43.041102
"203312"	809.18176	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+2Na-H"	44.97116
"636917"	1191.28706	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+2Na-H"	44.97116
"1141514"	427.07646	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2Na-H"	44.97116
"179699"	405.094518	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+2Na"	45.978436
"623268"	596.147168	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+2Na"	45.978436
"1126773"	214.041868	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2Na"	45.978436
"1404835"	143.030337333333	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H+2Na"	46.985712
"1439138"	429.118046	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H+HCOOH"	47.012746
"227739"	410.12754	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+3H2O+2H"	56.04448
"1523795"	443.17009	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+IsoProp+H"	61.06479
"422920"	413.081488	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+Na+K"	61.952376
"783064"	604.134138	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+Na+K"	61.952376
"1679752"	222.028838	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Na+K"	61.952376
"265909"	828.226368	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+ACN+Na"	64.015768
"1240198"	446.121068	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+ACN+Na"	64.015768
"1727138"	446.144593	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+NH4+HCOOH"	64.039293
"1190304"	150.357651333333	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+3Na"	68.967654
"1662747"	451.099988	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Na+HCOOH"	68.994688
"168514"	841.12964	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+2K-H"	76.91904
"606980"	1223.23494	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+2K-H"	76.91904
"1095139"	459.02434	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2K-H"	76.91904
"153785"	421.068458	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"2M+2K"	77.926316
"588967"	612.121108	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"3M+2K"	77.926316
"1076758"	230.015808	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2K"	77.926316
"1109604"	461.038892	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2K+H"	78.933592
"1345987"	461.126507	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+DMSO+H"	79.021207
"1015976"	465.165676	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2ACN+H"	83.060376
"1537387"	466.159308	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+IsoProp+Na+H"	84.054008
"1004566"	233.086476	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+2ACN+2H"	84.067652
"1601623"	467.073928	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+K+HCOOH"	84.968628
"1429225"	497.105438	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+H+CF3COOH"	115.000138
"1162308"	253.599751	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+3ACN+2H"	125.094202
"1709303"	514.131985	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+NH4+CF3COOH"	132.026685
"1648966"	519.08738	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+Na+CF3COOH"	136.98208
"1586072"	535.06132	"C10546"	"Austrobailignan 1"	"C21H18O7"	"382.1053"	"M+K+CF3COOH"	152.95602
"806597"	386.1729	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M"	0
"976850"	367.15451	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-H2O-H"	-19.01839
"74936"	256.441324	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M-3H"	-3.021828
"513402"	385.165624	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M-3H"	-3.021828
"891206"	127.717024	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-3H"	-3.021828
"11967"	385.165624	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M-2H"	-2.014552
"447155"	578.252074	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M-2H"	-2.014552
"822768"	192.079174	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-2H"	-2.014552
"80572"	771.338524	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M-H"	-1.007276
"518787"	1157.511424	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M-H"	-1.007276
"899027"	385.165624	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-H"	-1.007276
"53403"	788.365071	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M-2H+NH4"	16.019271
"494058"	1174.537971	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M-2H+NH4"	16.019271
"869674"	402.192171	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-2H+NH4"	16.019271
"32954"	793.320466	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M-2H+Na"	20.974666
"482243"	1179.493366	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M-2H+Na"	20.974666
"856034"	407.147566	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-2H+Na"	20.974666
"1625566"	407.147566	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Na-2H"	20.974666
"94758"	403.153963	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M-H+Cl"	33.962126
"537645"	596.240413	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M-H+Cl"	33.962126
"928476"	210.067513	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-H+Cl"	33.962126
"268626"	807.315202	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+Cl"	34.969402
"661777"	1193.488102	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+Cl"	34.969402
"1273595"	421.142302	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Cl"	34.969402
"16963"	809.294406	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M-2H+K"	36.948606
"457014"	1195.467306	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M-2H+K"	36.948606
"833160"	423.121506	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-2H+K"	36.948606
"1560141"	423.121506	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+K-2H"	36.948606
"944125"	431.171094	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-H+HCOOH"	44.998194
"362586"	817.344001	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+HCOOH-H"	44.998201
"346837"	831.359651	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+Hac-H"	59.013851
"1494946"	445.186751	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Hac-H"	59.013851
"959078"	453.153051	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-H+NaCOOH"	66.980151
"111029"	421.142302	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+2Cl"	69.938804
"553510"	614.228752	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+2Cl"	69.938804
"1036537"	228.055852	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2Cl"	69.938804
"1255023"	465.091785	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Br"	78.918885
"1314187"	467.147772	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Cl+HCOOH"	80.974872
"1330590"	489.129729	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Cl+NaCOOH"	102.956829
"921646"	499.158486	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M-H+CF3COOH"	112.985586
"1295074"	535.135164	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Cl+CF3COOH"	148.962264
"1374330"	351.160224	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H-2H2O"	-35.012676
"1390735"	369.1702	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H-H2O"	-17.0027
"292610"	773.353076	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+H"	1.007276
"682843"	1159.525976	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+H"	1.007276
"1358097"	387.180176	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H"	1.007276
"128799"	387.180176	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+2H"	2.014552
"569452"	580.266626	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+2H"	2.014552
"1050288"	194.093726	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2H"	2.014552
"214905"	258.455876	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+3H"	3.021828
"650090"	387.180176	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+3H"	3.021828
"1164933"	129.731576	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+3H"	3.021828
"428207"	790.379623	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+NH4"	18.033823
"788108"	1176.552523	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+NH4"	18.033823
"1687722"	404.206723	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+NH4"	18.033823
"333447"	395.6934495	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+H+NH4"	19.041099
"723803"	588.7798995	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+H+NH4"	19.041099
"1481145"	202.6069995	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H+NH4"	19.041099
"399832"	795.335018	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+Na"	22.989218
"759731"	1181.507918	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+Na"	22.989218
"1606368"	409.162118	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Na"	22.989218
"327347"	398.171147	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+H+Na"	23.996494
"717957"	591.257597	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+H+Na"	23.996494
"1475419"	205.084697	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H+Na"	23.996494
"1062830"	137.05889	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2H+Na"	25.00377
"1268882"	419.206386	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+CH3OH+H"	33.033486
"387832"	811.308958	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+K"	38.963158
"749556"	1197.481858	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+K"	38.963158
"1552700"	425.136058	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+K"	38.963158
"310966"	406.158117	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+H+K"	39.970434
"704851"	599.244567	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+H+K"	39.970434
"1459401"	213.071667	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H+K"	39.970434
"249102"	814.379626	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+ACN+H"	42.033826
"1222539"	428.206726	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+ACN+H"	42.033826
"1208851"	214.607001	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+ACN+2H"	43.041102
"200747"	817.31696	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+2Na-H"	44.97116
"637027"	1203.48986	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+2Na-H"	44.97116
"1140531"	431.14406	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2Na-H"	44.97116
"179808"	409.162118	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+2Na"	45.978436
"622283"	602.248568	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+2Na"	45.978436
"1124697"	216.075668	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2Na"	45.978436
"1411507"	144.386204	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H+2Na"	46.985712
"1443993"	433.185646	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H+HCOOH"	47.012746
"231131"	414.19514	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+3H2O+2H"	56.04448
"1523698"	447.23769	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+IsoProp+H"	61.06479
"422907"	417.149088	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+Na+K"	61.952376
"783539"	610.235538	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+Na+K"	61.952376
"1680228"	224.062638	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Na+K"	61.952376
"265776"	836.361568	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+ACN+Na"	64.015768
"1239700"	450.188668	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+ACN+Na"	64.015768
"1726643"	450.212193	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+NH4+HCOOH"	64.039293
"1192236"	151.713518	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+3Na"	68.967654
"1664559"	455.167588	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Na+HCOOH"	68.994688
"170446"	849.26484	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+2K-H"	76.91904
"608183"	1235.43774	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+2K-H"	76.91904
"1094520"	463.09194	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2K-H"	76.91904
"154987"	425.136058	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"2M+2K"	77.926316
"591264"	618.222508	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"3M+2K"	77.926316
"1076868"	232.049608	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2K"	77.926316
"1111536"	465.106492	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2K+H"	78.933592
"1347189"	465.194107	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+DMSO+H"	79.021207
"1016815"	469.233276	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2ACN+H"	83.060376
"1537494"	470.226908	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+IsoProp+Na+H"	84.054008
"1004553"	235.120276	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+2ACN+2H"	84.067652
"1601368"	471.141528	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+K+HCOOH"	84.968628
"1429456"	501.173038	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+H+CF3COOH"	115.000138
"1162053"	255.633551	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+3ACN+2H"	125.094202
"1712580"	518.199585	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+NH4+CF3COOH"	132.026685
"1648347"	523.15498	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+Na+CF3COOH"	136.98208
"1586182"	539.12892	"C10547"	"Burseran;()-Burseran"	"C22H26O6"	"386.1729"	"M+K+CF3COOH"	152.95602
"813268"	540.1632	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M"	0
"976959"	521.14481	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-H2O-H"	-19.01839
"76139"	359.101524	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M-3H"	-3.021828
"516430"	539.155924	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M-3H"	-3.021828
"892409"	179.047124	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-3H"	-3.021828
"12442"	539.155924	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M-2H"	-2.014552
"448358"	809.237524	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M-2H"	-2.014552
"826160"	269.074324	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-2H"	-2.014552
"79589"	1079.319124	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M-H"	-1.007276
"519629"	1619.482324	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M-H"	-1.007276
"899137"	539.155924	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-H"	-1.007276
"53513"	1096.345671	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M-2H+NH4"	16.019271
"493074"	1636.508871	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M-2H+NH4"	16.019271
"869784"	556.182471	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-2H+NH4"	16.019271
"32700"	1101.301066	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M-2H+Na"	20.974666
"481989"	1641.464266	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M-2H+Na"	20.974666
"852864"	561.137866	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-2H+Na"	20.974666
"1625676"	561.137866	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Na-2H"	20.974666
"95031"	557.144263	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M-H+Cl"	33.962126
"535079"	827.225863	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M-H+Cl"	33.962126
"927981"	287.062663	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-H+Cl"	33.962126
"268493"	1115.295802	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+Cl"	34.969402
"662982"	1655.459002	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+Cl"	34.969402
"1272945"	575.132602	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Cl"	34.969402
"16105"	1117.275006	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M-2H+K"	36.948606
"457244"	1657.438206	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M-2H+K"	36.948606
"833713"	577.111806	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-2H+K"	36.948606
"1559158"	577.111806	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+K-2H"	36.948606
"944842"	585.161394	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-H+HCOOH"	44.998194
"363423"	1125.324601	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+HCOOH-H"	44.998201
"346947"	1139.340251	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+Hac-H"	59.013851
"1495042"	599.177051	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Hac-H"	59.013851
"959551"	607.143351	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-H+NaCOOH"	66.980151
"112235"	575.132602	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+2Cl"	69.938804
"552163"	845.214202	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+2Cl"	69.938804
"1036770"	305.051002	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2Cl"	69.938804
"1256834"	619.082085	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Br"	78.918885
"1316484"	621.138072	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Cl+HCOOH"	80.974872
"1331794"	643.120029	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Cl+NaCOOH"	102.956829
"921756"	653.148786	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M-H+CF3COOH"	112.985586
"1299558"	689.125464	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Cl+CF3COOH"	148.962264
"1376627"	505.150524	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H-2H2O"	-35.012676
"1394126"	523.1605	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H-H2O"	-17.0027
"292720"	1081.333676	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+H"	1.007276
"686233"	1621.496876	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+H"	1.007276
"1354927"	541.170476	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H"	1.007276
"127816"	541.170476	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+2H"	2.014552
"570655"	811.252076	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+2H"	2.014552
"1048209"	271.088876	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2H"	2.014552
"212829"	361.116076	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+3H"	3.021828
"648013"	541.170476	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+3H"	3.021828
"1165042"	181.061676	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+3H"	3.021828
"428317"	1098.360223	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+NH4"	18.033823
"788217"	1638.523423	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+NH4"	18.033823
"1686739"	558.197023	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+NH4"	18.033823
"332100"	549.6837495	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+H+NH4"	19.041099
"723792"	819.7653495	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+H+NH4"	19.041099
"1479068"	279.6021495	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H+NH4"	19.041099
"398846"	1103.315618	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+Na"	22.989218
"756560"	1643.478818	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+Na"	22.989218
"1608297"	563.152418	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Na"	22.989218
"323447"	552.161447	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+H+Na"	23.996494
"720253"	822.243047	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+H+Na"	23.996494
"1476257"	282.079847	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H+Na"	23.996494
"1066220"	188.38899	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2H+Na"	25.00377
"1268992"	573.196686	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+CH3OH+H"	33.033486
"388671"	1119.289558	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+K"	38.963158
"750760"	1659.452758	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+K"	38.963158
"1553903"	579.126358	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+K"	38.963158
"310712"	560.148417	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+H+K"	39.970434
"706425"	830.230017	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+H+K"	39.970434
"1459146"	290.066817	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H+K"	39.970434
"250672"	1122.360226	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+ACN+H"	42.033826
"1225204"	582.197026	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+ACN+H"	42.033826
"1208479"	291.602151	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+ACN+2H"	43.041102
"203416"	1125.29756	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+2Na-H"	44.97116
"638231"	1665.46076	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+2Na-H"	44.97116
"1141736"	585.13436	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2Na-H"	44.97116
"182837"	563.152418	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+2Na"	45.978436
"622393"	833.234018	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+2Na"	45.978436
"1122621"	293.070818	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2Na"	45.978436
"1413568"	195.716304	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H+2Na"	46.985712
"1444591"	587.175946	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H+HCOOH"	47.012746
"230148"	568.18544	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+3H2O+2H"	56.04448
"1517117"	601.22799	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+IsoProp+H"	61.06479
"423133"	571.139388	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+Na+K"	61.952376
"783892"	841.220988	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+Na+K"	61.952376
"1680094"	301.057788	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Na+K"	61.952376
"265401"	1144.342168	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+ACN+Na"	64.015768
"1239934"	604.178968	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+ACN+Na"	64.015768
"1727604"	604.202493	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+NH4+HCOOH"	64.039293
"1191982"	203.043618	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+3Na"	68.967654
"1662605"	609.157888	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Na+HCOOH"	68.994688
"170193"	1157.24544	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+2K-H"	76.91904
"610481"	1697.40864	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+2K-H"	76.91904
"1095726"	617.08224	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2K-H"	76.91904
"154733"	579.126358	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"2M+2K"	77.926316
"590280"	849.207958	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"3M+2K"	77.926316
"1077707"	309.044758	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2K"	77.926316
"1109096"	619.096792	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2K+H"	78.933592
"1344386"	619.184407	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+DMSO+H"	79.021207
"1016925"	623.223576	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2ACN+H"	83.060376
"1536511"	624.217208	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+IsoProp+Na+H"	84.054008
"1001868"	312.115426	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+2ACN+2H"	84.067652
"1601478"	625.131828	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+K+HCOOH"	84.968628
"1429809"	655.163338	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+H+CF3COOH"	115.000138
"1162162"	332.628701	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+3ACN+2H"	125.094202
"1711226"	672.189885	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+NH4+CF3COOH"	132.026685
"1649754"	677.14528	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+Na+CF3COOH"	136.98208
"1586292"	693.11922	"C10548"	"Cleistanthin A"	"C28H28O11"	"540.1632"	"M+K+CF3COOH"	152.95602
"813378"	356.126	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M"	0
"974883"	337.10761	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-H2O-H"	-19.01839
"74063"	236.410057333333	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M-3H"	-3.021828
"514353"	355.118724	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M-3H"	-3.021828
"892519"	117.701390666667	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-3H"	-3.021828
"14376"	355.118724	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M-2H"	-2.014552
"448469"	533.181724	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M-2H"	-2.014552
"826271"	177.055724	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-2H"	-2.014552
"80062"	711.244724	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M-H"	-1.007276
"519498"	1067.370724	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M-H"	-1.007276
"896450"	355.118724	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-H"	-1.007276
"48397"	728.271271	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M-2H+NH4"	16.019271
"493184"	1084.397271	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M-2H+NH4"	16.019271
"865518"	372.145271	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-2H+NH4"	16.019271
"32688"	733.226666	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M-2H+Na"	20.974666
"482463"	1089.352666	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M-2H+Na"	20.974666
"858441"	377.100666	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-2H+Na"	20.974666
"1622506"	377.100666	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Na-2H"	20.974666
"97939"	373.107063	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M-H+Cl"	33.962126
"537500"	551.170063	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M-H+Cl"	33.962126
"928947"	195.044063	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-H+Cl"	33.962126
"268116"	747.221402	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+Cl"	34.969402
"661996"	1103.347402	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+Cl"	34.969402
"1274033"	391.095402	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Cl"	34.969402
"16706"	749.200606	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M-2H+K"	36.948606
"459064"	1105.326606	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M-2H+K"	36.948606
"833464"	393.074606	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-2H+K"	36.948606
"1558902"	393.074606	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+K-2H"	36.948606
"943617"	401.124194	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-H+HCOOH"	44.998194
"362440"	757.250201	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+HCOOH-H"	44.998201
"348886"	771.265851	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+Hac-H"	59.013851
"1494193"	415.139851	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Hac-H"	59.013851
"959789"	423.106151	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-H+NaCOOH"	66.980151
"112102"	391.095402	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+2Cl"	69.938804
"552273"	569.158402	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+2Cl"	69.938804
"1024718"	213.032402	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2Cl"	69.938804
"1245392"	435.044885	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Br"	78.918885
"1315498"	437.100872	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Cl+HCOOH"	80.974872
"1331904"	459.082829	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Cl+NaCOOH"	102.956829
"918586"	469.111586	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M-H+CF3COOH"	112.985586
"1298575"	505.088264	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Cl+CF3COOH"	148.962264
"1375644"	321.113324	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H-2H2O"	-35.012676
"1389861"	339.1233	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H-H2O"	-17.0027
"290643"	713.259276	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+H"	1.007276
"681969"	1069.385276	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+H"	1.007276
"1356130"	357.133276	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H"	1.007276
"129019"	357.133276	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+2H"	2.014552
"568943"	535.196276	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+2H"	2.014552
"1046132"	179.070276	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2H"	2.014552
"212938"	238.424609333333	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+3H"	3.021828
"647030"	357.133276	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+3H"	3.021828
"1163572"	119.715942666667	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+3H"	3.021828
"428427"	730.285823	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+NH4"	18.033823
"787234"	1086.411823	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+NH4"	18.033823
"1687942"	374.159823	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+NH4"	18.033823
"333667"	365.6465495	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+H+NH4"	19.041099
"723902"	543.7095495	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+H+NH4"	19.041099
"1480271"	187.5835495	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H+NH4"	19.041099
"397134"	735.241218	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+Na"	22.989218
"759949"	1091.367218	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+Na"	22.989218
"1606950"	379.115218	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Na"	22.989218
"322464"	368.124247	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+H+Na"	23.996494
"718177"	546.187247	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+H+Na"	23.996494
"1473088"	190.061247	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H+Na"	23.996494
"1063054"	127.043256666667	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2H+Na"	25.00377
"1270926"	389.159486	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+CH3OH+H"	33.033486
"388414"	751.215158	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+K"	38.963158
"748680"	1107.341158	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+K"	38.963158
"1551461"	395.089158	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+K"	38.963158
"308999"	376.111217	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+H+K"	39.970434
"706574"	554.174217	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+H+K"	39.970434
"1459257"	198.048217	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H+K"	39.970434
"249682"	754.285826	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+ACN+H"	42.033826
"1223848"	398.159826	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+ACN+H"	42.033826
"1209313"	199.583551	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+ACN+2H"	43.041102
"201695"	757.22316	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+2Na-H"	44.97116
"640528"	1113.34916	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+2Na-H"	44.97116
"1141482"	401.09716	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2Na-H"	44.97116
"179667"	379.115218	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+2Na"	45.978436
"619223"	557.178218	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+2Na"	45.978436
"1118477"	201.052218	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2Na"	45.978436
"1413310"	134.370570666667	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H+2Na"	46.985712
"1444941"	403.138746	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H+HCOOH"	47.012746
"230258"	384.14824	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+3H2O+2H"	56.04448
"1516134"	417.19079	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+IsoProp+H"	61.06479
"422999"	387.102188	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+Na+K"	61.952376
"785258"	565.165188	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+Na+K"	61.952376
"1679715"	209.039188	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Na+K"	61.952376
"265269"	776.267768	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+ACN+Na"	64.015768
"1240410"	420.141768	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+ACN+Na"	64.015768
"1727230"	420.165293	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+NH4+HCOOH"	64.039293
"1191362"	141.697884666667	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+3Na"	68.967654
"1662349"	425.120688	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Na+HCOOH"	68.994688
"168116"	789.17104	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+2K-H"	76.91904
"609133"	1145.29704	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+2K-H"	76.91904
"1096200"	433.04504	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2K-H"	76.91904
"154114"	395.089158	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"2M+2K"	77.926316
"590390"	573.152158	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"3M+2K"	77.926316
"1077817"	217.026158	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2K"	77.926316
"1108113"	435.059592	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2K+H"	78.933592
"1344496"	435.147207	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+DMSO+H"	79.021207
"1016306"	439.186376	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2ACN+H"	83.060376
"1535527"	440.180008	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+IsoProp+Na+H"	84.054008
"1001978"	220.096826	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+2ACN+2H"	84.067652
"1601710"	441.094628	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+K+HCOOH"	84.968628
"1429774"	471.126138	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+H+CF3COOH"	115.000138
"1161785"	240.610101	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+3ACN+2H"	125.094202
"1709633"	488.152685	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+NH4+CF3COOH"	132.026685
"1649663"	493.10808	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+Na+CF3COOH"	136.98208
"1586402"	509.08202	"C10549"	"Cubebin"	"C20H20O6"	"356.126"	"M+K+CF3COOH"	152.95602
"810208"	326.1518	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M"	0
"980461"	307.13341	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-H2O-H"	-19.01839
"76359"	216.427257333333	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M-3H"	-3.021828
"515556"	325.144524	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M-3H"	-3.021828
"891535"	107.709990666667	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-3H"	-3.021828
"14850"	325.144524	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M-2H"	-2.014552
"454412"	488.220424	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M-2H"	-2.014552
"826381"	162.068624	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-2H"	-2.014552
"83090"	651.296324	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M-H"	-1.007276
"522650"	977.448124	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M-H"	-1.007276
"896076"	325.144524	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-H"	-1.007276
"48265"	668.322871	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M-2H+NH4"	16.019271
"493294"	994.474671	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M-2H+NH4"	16.019271
"865628"	342.171071	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-2H+NH4"	16.019271
"32435"	673.278266	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M-2H+Na"	20.974666
"485854"	999.430066	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M-2H+Na"	20.974666
"856365"	347.126466	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-2H+Na"	20.974666
"1620430"	347.126466	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Na-2H"	20.974666
"99143"	343.132863	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M-H+Cl"	33.962126
"537610"	506.208763	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M-H+Cl"	33.962126
"928936"	180.056963	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-H+Cl"	33.962126
"268957"	687.273002	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+Cl"	34.969402
"659970"	1013.424802	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+Cl"	34.969402
"1273779"	361.121202	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Cl"	34.969402
"15787"	689.252206	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M-2H+K"	36.948606
"456259"	1015.404006	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M-2H+K"	36.948606
"836615"	363.100406	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-2H+K"	36.948606
"1558648"	363.100406	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+K-2H"	36.948606
"942863"	371.149994	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-H+HCOOH"	44.998194
"361535"	697.301801	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+HCOOH-H"	44.998201
"347904"	711.317451	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+Hac-H"	59.013851
"1493573"	385.165651	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Hac-H"	59.013851
"962455"	393.131951	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-H+NaCOOH"	66.980151
"112091"	361.121202	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+2Cl"	69.938804
"550920"	524.197102	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+2Cl"	69.938804
"1024828"	198.045302	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2Cl"	69.938804
"1243677"	405.070685	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Br"	78.918885
"1315608"	407.126672	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Cl+HCOOH"	80.974872
"1335377"	429.108629	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Cl+NaCOOH"	102.956829
"924164"	439.137386	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M-H+CF3COOH"	112.985586
"1303671"	475.114064	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Cl+CF3COOH"	148.962264
"1379033"	291.139124	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H-2H2O"	-35.012676
"1391064"	309.1491	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H-H2O"	-17.0027
"295126"	653.310876	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+H"	1.007276
"685359"	979.462676	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+H"	1.007276
"1357333"	327.159076	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H"	1.007276
"131316"	327.159076	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+2H"	2.014552
"567229"	490.234976	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+2H"	2.014552
"1047335"	164.083176	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2H"	2.014552
"209768"	218.441809333333	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+3H"	3.021828
"649324"	327.159076	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+3H"	3.021828
"1164170"	109.724542666667	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+3H"	3.021828
"432909"	670.337423	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+NH4"	18.033823
"788437"	996.489223	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+NH4"	18.033823
"1688052"	344.185623	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+NH4"	18.033823
"336692"	335.6723495	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+H+NH4"	19.041099
"730935"	498.7482495	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+H+NH4"	19.041099
"1480381"	172.5964495	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H+NH4"	19.041099
"403440"	675.292818	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+Na"	22.989218
"762245"	1001.444618	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+Na"	22.989218
"1605967"	349.141018	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Na"	22.989218
"325853"	338.150047	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+H+Na"	23.996494
"719380"	501.225947	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+H+Na"	23.996494
"1474292"	175.074147	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H+Na"	23.996494
"1066444"	117.051856666667	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2H+Na"	25.00377
"1269577"	359.185286	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+CH3OH+H"	33.033486
"390715"	691.266758	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+K"	38.963158
"753287"	1017.418558	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+K"	38.963158
"1555140"	365.114958	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+K"	38.963158
"312756"	346.137017	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+H+K"	39.970434
"707016"	509.212917	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+H+K"	39.970434
"1461297"	183.061117	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H+K"	39.970434
"251389"	694.337426	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+ACN+H"	42.033826
"1225217"	368.185626	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+ACN+H"	42.033826
"1207842"	184.596451	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+ACN+2H"	43.041102
"202899"	697.27476	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+2Na-H"	44.97116
"642461"	1023.42656	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+2Na-H"	44.97116
"1142686"	371.12296	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2Na-H"	44.97116
"182693"	349.141018	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+2Na"	45.978436
"620430"	512.216918	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+2Na"	45.978436
"1121747"	186.065118	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2Na"	45.978436
"1413786"	124.379170666667	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H+2Na"	46.985712
"1445522"	373.164546	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H+HCOOH"	47.012746
"230368"	354.17404	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+3H2O+2H"	56.04448
"1524111"	387.21659	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+IsoProp+H"	61.06479
"423918"	357.127988	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+Na+K"	61.952376
"784592"	520.203888	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+Na+K"	61.952376
"1681107"	194.052088	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Na+K"	61.952376
"266345"	716.319368	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+ACN+Na"	64.015768
"1239421"	390.167568	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+ACN+Na"	64.015768
"1726116"	390.191093	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+NH4+HCOOH"	64.039293
"1191107"	131.706484666667	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+3Na"	68.967654
"1662820"	395.146488	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Na+HCOOH"	68.994688
"168226"	729.22264	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+2K-H"	76.91904
"607784"	1055.37444	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+2K-H"	76.91904
"1095949"	403.07084	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2K-H"	76.91904
"155317"	365.114958	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"2M+2K"	77.926316
"589409"	528.190858	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"3M+2K"	77.926316
"1077199"	202.039058	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2K"	77.926316
"1109317"	405.085392	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2K+H"	78.933592
"1344606"	405.173007	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+DMSO+H"	79.021207
"1014232"	409.212176	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2ACN+H"	83.060376
"1537706"	410.205808	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+IsoProp+Na+H"	84.054008
"1003910"	205.109726	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+2ACN+2H"	84.067652
"1601819"	411.120428	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+K+HCOOH"	84.968628
"1429752"	441.151938	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+H+CF3COOH"	115.000138
"1161895"	225.623001	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+3ACN+2H"	125.094202
"1710472"	458.178485	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+NH4+CF3COOH"	132.026685
"1649403"	463.13388	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+Na+CF3COOH"	136.98208
"1586512"	479.10782	"C10550"	"Dehydrodieugenol"	"C20H22O4"	"326.1518"	"M+K+CF3COOH"	152.95602
"807037"	368.126	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M"	0
"977291"	349.10761	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-H2O-H"	-19.01839
"76469"	244.410057333333	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M-3H"	-3.021828
"512750"	367.118724	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M-3H"	-3.021828
"890552"	121.701390666667	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-3H"	-3.021828
"11315"	367.118724	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M-2H"	-2.014552
"447595"	551.181724	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M-2H"	-2.014552
"824302"	183.055724	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-2H"	-2.014552
"83198"	735.244724	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M-H"	-1.007276
"520572"	1103.370724	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M-H"	-1.007276
"896912"	367.118724	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-H"	-1.007276
"47227"	752.271271	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M-2H+NH4"	16.019271
"487802"	1120.397271	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M-2H+NH4"	16.019271
"864754"	384.145271	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-2H+NH4"	16.019271
"31572"	757.226666	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M-2H+Na"	20.974666
"485238"	1125.352666	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M-2H+Na"	20.974666
"855383"	389.100666	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-2H+Na"	20.974666
"1623821"	389.100666	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Na-2H"	20.974666
"100350"	385.107063	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M-H+Cl"	33.962126
"536630"	569.170063	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M-H+Cl"	33.962126
"928684"	201.044063	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-H+Cl"	33.962126
"267850"	771.221402	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+Cl"	34.969402
"659992"	1139.347402	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+Cl"	34.969402
"1273320"	403.095402	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Cl"	34.969402
"15795"	773.200606	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M-2H+K"	36.948606
"455774"	1141.326606	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M-2H+K"	36.948606
"835998"	405.074606	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-2H+K"	36.948606
"1558027"	405.074606	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+K-2H"	36.948606
"942825"	413.124194	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-H+HCOOH"	44.998194
"361470"	781.250201	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+HCOOH-H"	44.998201
"348014"	795.265851	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+Hac-H"	59.013851
"1493926"	427.139851	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Hac-H"	59.013851
"959647"	435.106151	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-H+NaCOOH"	66.980151
"111470"	403.095402	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+2Cl"	69.938804
"550419"	587.158402	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+2Cl"	69.938804
"1021931"	219.032402	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2Cl"	69.938804
"1241956"	447.044885	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Br"	78.918885
"1312438"	449.100872	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Cl+HCOOH"	80.974872
"1333582"	471.082829	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Cl+NaCOOH"	102.956829
"924274"	481.111586	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M-H+CF3COOH"	112.985586
"1302441"	517.088264	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Cl+CF3COOH"	148.962264
"1373676"	333.113324	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H-2H2O"	-35.012676
"1383883"	351.1233	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H-H2O"	-17.0027
"285392"	737.259276	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+H"	1.007276
"677815"	1105.385276	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+H"	1.007276
"1355255"	369.133276	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H"	1.007276
"130330"	369.133276	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+2H"	2.014552
"566609"	553.196276	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+2H"	2.014552
"1047445"	185.070276	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2H"	2.014552
"208785"	246.424609333333	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+3H"	3.021828
"648344"	369.133276	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+3H"	3.021828
"1168655"	123.715942666667	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+3H"	3.021828
"427553"	754.285823	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+NH4"	18.033823
"789640"	1122.411823	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+NH4"	18.033823
"1687069"	386.159823	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+NH4"	18.033823
"334616"	377.6465495	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+H+NH4"	19.041099
"727765"	561.7095495	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+H+NH4"	19.041099
"1480491"	193.5835495	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H+NH4"	19.041099
"400269"	759.241218	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+Na"	22.989218
"760169"	1127.367218	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+Na"	22.989218
"1606077"	391.115218	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Na"	22.989218
"321588"	380.124247	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+H+Na"	23.996494
"717304"	564.187247	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+H+Na"	23.996494
"1473310"	196.061247	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H+Na"	23.996494
"1065462"	131.043256666667	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2H+Na"	25.00377
"1269687"	401.159486	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+CH3OH+H"	33.033486
"389364"	775.215158	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+K"	38.963158
"750723"	1143.341158	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+K"	38.963158
"1554475"	407.089158	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+K"	38.963158
"313230"	388.111217	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+H+K"	39.970434
"705655"	572.174217	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+H+K"	39.970434
"1459476"	204.048217	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H+K"	39.970434
"249902"	778.285826	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+ACN+H"	42.033826
"1217871"	410.159826	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+ACN+H"	42.033826
"1207952"	205.583551	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+ACN+2H"	43.041102
"198635"	781.22316	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+2Na-H"	44.97116
"642571"	1149.34916	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+2Na-H"	44.97116
"1141702"	413.09716	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2Na-H"	44.97116
"180980"	391.115218	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+2Na"	45.978436
"618353"	575.178218	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+2Na"	45.978436
"1119671"	207.052218	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2Na"	45.978436
"1410855"	138.370570666667	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H+2Na"	46.985712
"1444795"	415.138746	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H+HCOOH"	47.012746
"231571"	396.14824	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+3H2O+2H"	56.04448
"1522915"	429.19079	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+IsoProp+H"	61.06479
"423665"	399.102188	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+Na+K"	61.952376
"785348"	583.165188	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+Na+K"	61.952376
"1681191"	215.039188	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Na+K"	61.952376
"265361"	800.267768	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+ACN+Na"	64.015768
"1240621"	432.141768	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+ACN+Na"	64.015768
"1724765"	432.165293	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+NH4+HCOOH"	64.039293
"1191581"	145.697884666667	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+3Na"	68.967654
"1662201"	437.120688	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Na+HCOOH"	68.994688
"168336"	813.17104	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+2K-H"	76.91904
"606801"	1181.29704	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+2K-H"	76.91904
"1095330"	445.04504	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2K-H"	76.91904
"156401"	407.089158	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"2M+2K"	77.926316
"593894"	591.152158	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"3M+2K"	77.926316
"1078404"	223.026158	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2K"	77.926316
"1111615"	447.059592	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2K+H"	78.933592
"1346175"	447.147207	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+DMSO+H"	79.021207
"1014342"	451.186376	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2ACN+H"	83.060376
"1539723"	452.180008	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+IsoProp+Na+H"	84.054008
"1005568"	226.096826	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+2ACN+2H"	84.067652
"1602642"	453.094628	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+K+HCOOH"	84.968628
"1429167"	483.126138	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+H+CF3COOH"	115.000138
"1161884"	246.610101	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+3ACN+2H"	125.094202
"1706571"	500.152685	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+NH4+CF3COOH"	132.026685
"1648420"	505.10808	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+Na+CF3COOH"	136.98208
"1586622"	521.08202	"C10551"	"Morelensin;(-)-Morelensin;5-Demethoxydeoxypodophyllotoxin"	"C21H20O6"	"368.126"	"M+K+CF3COOH"	152.95602
"810428"	384.1209	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M"	0
"982869"	365.10251	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-H2O-H"	-19.01839
"75486"	255.073324	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M-3H"	-3.021828
"512860"	383.113624	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M-3H"	-3.021828
"890662"	127.033024	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-3H"	-3.021828
"12518"	383.113624	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M-2H"	-2.014552
"449892"	575.174074	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M-2H"	-2.014552
"824412"	191.053174	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-2H"	-2.014552
"81121"	767.234524	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M-H"	-1.007276
"520682"	1151.355424	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M-H"	-1.007276
"898482"	383.113624	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-H"	-1.007276
"47994"	784.261071	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M-2H+NH4"	16.019271
"488647"	1168.381971	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M-2H+NH4"	16.019271
"865353"	400.140171	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-2H+NH4"	16.019271
"32042"	789.216466	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M-2H+Na"	20.974666
"486079"	1173.337366	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M-2H+Na"	20.974666
"855493"	405.095566	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-2H+Na"	20.974666
"1623202"	405.095566	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Na-2H"	20.974666
"100824"	401.101963	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M-H+Cl"	33.962126
"539654"	593.162413	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M-H+Cl"	33.962126
"929522"	209.041513	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-H+Cl"	33.962126
"267840"	803.211202	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+Cl"	34.969402
"661231"	1187.332102	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+Cl"	34.969402
"1274728"	419.090302	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Cl"	34.969402
"16553"	805.190406	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M-2H+K"	36.948606
"455946"	1189.311306	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M-2H+K"	36.948606
"836107"	421.069506	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-2H+K"	36.948606
"1559959"	421.069506	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+K-2H"	36.948606
"942908"	429.119094	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-H+HCOOH"	44.998194
"361583"	813.240001	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+HCOOH-H"	44.998201
"347759"	827.255651	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+Hac-H"	59.013851
"1494397"	443.134751	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Hac-H"	59.013851
"960484"	451.101051	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-H+NaCOOH"	66.980151
"112673"	419.090302	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+2Cl"	69.938804
"551141"	611.150752	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+2Cl"	69.938804
"1023947"	227.029852	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2Cl"	69.938804
"1242434"	463.039785	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Br"	78.918885
"1314734"	465.095772	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Cl+HCOOH"	80.974872
"1334299"	487.077729	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Cl+NaCOOH"	102.956829
"924384"	497.106486	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M-H+CF3COOH"	112.985586
"1303158"	533.083164	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Cl+CF3COOH"	148.962264
"1377067"	349.108224	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H-2H2O"	-35.012676
"1385815"	367.1182	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H-H2O"	-17.0027
"284408"	769.249076	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+H"	1.007276
"676464"	1153.369976	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+H"	1.007276
"1355365"	385.128176	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H"	1.007276
"127524"	385.128176	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+2H"	2.014552
"567080"	577.188626	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+2H"	2.014552
"1044275"	193.067726	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2H"	2.014552
"208895"	257.087876	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+3H"	3.021828
"647361"	385.128176	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+3H"	3.021828
"1167672"	129.047576	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+3H"	3.021828
"427660"	786.275623	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+NH4"	18.033823
"788289"	1170.396523	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+NH4"	18.033823
"1687543"	402.154723	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+NH4"	18.033823
"333997"	393.6414495	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+H+NH4"	19.041099
"727875"	585.7018995	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+H+NH4"	19.041099
"1480601"	201.5809995	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H+NH4"	19.041099
"398190"	791.231018	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+Na"	22.989218
"761370"	1175.351918	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+Na"	22.989218
"1606186"	407.110118	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Na"	22.989218
"321698"	396.119147	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+H+Na"	23.996494
"718507"	588.179597	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+H+Na"	23.996494
"1473785"	204.058697	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H+Na"	23.996494
"1065207"	136.37489	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2H+Na"	25.00377
"1268339"	417.154386	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+CH3OH+H"	33.033486
"389838"	807.204958	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+K"	38.963158
"751562"	1191.325858	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+K"	38.963158
"1553372"	423.084058	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+K"	38.963158
"313462"	404.106117	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+H+K"	39.970434
"706740"	596.166567	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+H+K"	39.970434
"1460803"	212.045667	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H+K"	39.970434
"249284"	810.275626	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+ACN+H"	42.033826
"1219075"	426.154726	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+ACN+H"	42.033826
"1208915"	213.581001	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+ACN+2H"	43.041102
"200932"	813.21296	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+2Na-H"	44.97116
"643046"	1197.33386	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+2Na-H"	44.97116
"1145092"	429.09206	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2Na-H"	44.97116
"184371"	407.110118	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+2Na"	45.978436
"619557"	599.170568	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+2Na"	45.978436
"1123062"	215.049668	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2Na"	45.978436
"1410601"	143.702204	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H+2Na"	46.985712
"1443449"	431.133646	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H+HCOOH"	47.012746
"230588"	412.14314	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+3H2O+2H"	56.04448
"1517557"	445.18569	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+IsoProp+H"	61.06479
"423451"	415.097088	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+Na+K"	61.952376
"783352"	607.157538	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+Na+K"	61.952376
"1679316"	223.036638	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Na+K"	61.952376
"265108"	832.257568	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+ACN+Na"	64.015768
"1238909"	448.136668	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+ACN+Na"	64.015768
"1722325"	448.160193	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+NH4+HCOOH"	64.039293
"1190960"	151.029518	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+3Na"	68.967654
"1661949"	453.115588	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Na+HCOOH"	68.994688
"167716"	845.16084	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+2K-H"	76.91904
"605818"	1229.28174	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+2K-H"	76.91904
"1097262"	461.03994	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2K-H"	76.91904
"157110"	423.084058	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"2M+2K"	77.926316
"594733"	615.144508	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"3M+2K"	77.926316
"1079243"	231.023608	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2K"	77.926316
"1110996"	463.054492	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2K+H"	78.933592
"1346285"	463.142107	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+DMSO+H"	79.021207
"1014452"	467.181276	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2ACN+H"	83.060376
"1539671"	468.174908	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+IsoProp+Na+H"	84.054008
"1005536"	234.094276	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+2ACN+2H"	84.067652
"1602603"	469.089528	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+K+HCOOH"	84.968628
"1429838"	499.121038	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+H+CF3COOH"	115.000138
"1161144"	254.607551	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+3ACN+2H"	125.094202
"1709599"	516.147585	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+NH4+CF3COOH"	132.026685
"1649505"	521.10298	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+Na+CF3COOH"	136.98208
"1586732"	537.07692	"C10552"	"4-Demethyldeoxypodophyllotoxin;(-)-4-Demethyldeoxypodophyllotoxin;(5R5aR8aR)-5-(4-Hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O7"	"384.1209"	"M+K+CF3COOH"	152.95602
"807257"	400.1158	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M"	0
"982979"	381.09741	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"76689"	265.736590666667	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"514063"	399.108524	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"891865"	132.364657333333	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"12628"	399.108524	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"450002"	599.166424	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"824522"	199.050624	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"81231"	799.224324	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"520792"	1199.340124	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"898592"	399.108524	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"50047"	816.250871	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"489365"	1216.366671	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"866072"	416.135071	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"34946"	821.206266	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"471669"	1221.322066	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"855603"	421.090466	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1626228"	421.090466	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"101663"	417.096863	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"541223"	617.154763	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"931819"	217.038963	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"268679"	835.201002	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"662435"	1235.316802	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1274838"	435.085202	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"17514"	837.180206	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"456585"	1237.296006	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"837311"	437.064406	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1559706"	437.064406	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"944668"	445.113994	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"362518"	845.229801	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"349327"	859.245451	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1496695"	459.129651	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"961689"	467.095951	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"113877"	435.085202	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"554163"	635.143102	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1023693"	235.027302	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1243639"	479.034685	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1308279"	481.090672	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1325778"	503.072629	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"913554"	513.101386	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1299015"	549.078064	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1373893"	365.103124	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1388113"	383.1131	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"285610"	801.238876	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"680221"	1201.354676	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1354745"	401.123076	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"128727"	401.123076	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"566704"	601.180976	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1044385"	201.065176	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"207181"	267.751142666667	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"649291"	401.123076	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1166323"	134.379209333333	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"427769"	818.265423	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"787670"	1218.381223	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1686923"	418.149623	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"335928"	409.6363495	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"725798"	609.6942495	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1482168"	209.5784495	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"399028"	823.220818	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"761480"	1223.336618	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1605932"	423.105018	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"320715"	412.114047	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"718618"	612.171947	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1474989"	212.056147	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1066777"	141.706523333333	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1270636"	433.149286	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"390312"	839.194758	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"752037"	1239.310558	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1554211"	439.078958	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"312356"	420.101017	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"705877"	620.158917	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1460305"	220.043117	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"248665"	842.265426	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1218821"	442.149626	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1206715"	221.578451	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"201406"	845.20276	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"643156"	1245.31856	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1145932"	445.08696	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"183388"	423.105018	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"619667"	623.162918	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1125358"	223.047118	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1411079"	149.033837333333	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1443559"	447.128546	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"232884"	428.13804	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1517667"	461.18059	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"419907"	431.091988	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"784436"	631.149888	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1677603"	231.034088	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"264490"	864.247368	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1238291"	464.131568	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1722801"	464.155093	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1188884"	156.361151333333	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1661330"	469.110488	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"164909"	877.15064	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"603373"	1277.26644	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1098955"	477.03484	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"154555"	439.078958	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"594114"	639.136858	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1079353"	239.021058	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1111471"	479.049392	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1345666"	479.137007	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1015656"	483.176176	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1539011"	484.169808	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"1005345"	242.091726	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1602278"	485.084428	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1429518"	515.115938	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1162350"	262.605001	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1708979"	532.142485	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1648642"	537.09788	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1586842"	553.07182	"C10553"	"4-Demethylpodophyllotoxin"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"810647"	356.1624	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M"	0
"986369"	337.14401	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-H2O-H"	-19.01839
"76799"	236.434324	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M-3H"	-3.021828
"517089"	355.155124	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M-3H"	-3.021828
"891975"	117.713524	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-3H"	-3.021828
"15168"	355.155124	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M-2H"	-2.014552
"450112"	533.236324	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M-2H"	-2.014552
"825725"	177.073924	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-2H"	-2.014552
"85715"	711.317524	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M-H"	-1.007276
"520902"	1067.479924	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M-H"	-1.007276
"897609"	355.155124	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-H"	-1.007276
"47212"	728.344071	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M-2H+NH4"	16.019271
"489355"	1084.506471	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M-2H+NH4"	16.019271
"865210"	372.181671	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-2H+NH4"	16.019271
"32504"	733.299466	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M-2H+Na"	20.974666
"471396"	1089.461866	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M-2H+Na"	20.974666
"855713"	377.137066	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-2H+Na"	20.974666
"1626338"	377.137066	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Na-2H"	20.974666
"102866"	373.143463	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M-H+Cl"	33.962126
"543520"	551.224663	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M-H+Cl"	33.962126
"931929"	195.062263	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-H+Cl"	33.962126
"271220"	747.294202	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+Cl"	34.969402
"663639"	1103.456602	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+Cl"	34.969402
"1277499"	391.131802	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Cl"	34.969402
"17015"	749.273406	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M-2H+K"	36.948606
"457791"	1105.435806	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M-2H+K"	36.948606
"838153"	393.111006	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-2H+K"	36.948606
"1560546"	393.111006	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+K-2H"	36.948606
"945143"	401.160594	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-H+HCOOH"	44.998194
"362628"	757.323001	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+HCOOH-H"	44.998201
"349437"	771.338651	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+Hac-H"	59.013851
"1493892"	415.176251	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Hac-H"	59.013851
"963624"	423.142551	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-H+NaCOOH"	66.980151
"114719"	391.131802	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+2Cl"	69.938804
"554277"	569.213002	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+2Cl"	69.938804
"1024897"	213.050602	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2Cl"	69.938804
"1241928"	435.081285	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Br"	78.918885
"1308389"	437.137272	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Cl+HCOOH"	80.974872
"1324795"	459.119229	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Cl+NaCOOH"	102.956829
"915852"	469.147986	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M-H+CF3COOH"	112.985586
"1301311"	505.124664	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Cl+CF3COOH"	148.962264
"1374003"	321.149724	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H-2H2O"	-35.012676
"1387127"	339.1597	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H-H2O"	-17.0027
"284989"	713.332076	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+H"	1.007276
"684704"	1069.494476	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+H"	1.007276
"1355585"	357.169676	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H"	1.007276
"129565"	357.169676	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+2H"	2.014552
"567302"	535.250876	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+2H"	2.014552
"1043765"	179.088476	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2H"	2.014552
"208382"	238.448876	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+3H"	3.021828
"649401"	357.169676	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+3H"	3.021828
"1166068"	119.728076	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+3H"	3.021828
"427150"	730.358623	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+NH4"	18.033823
"787780"	1086.521023	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+NH4"	18.033823
"1681469"	374.196223	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+NH4"	18.033823
"330241"	365.6829495	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+H+NH4"	19.041099
"728460"	543.7641495	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+H+NH4"	19.041099
"1484465"	187.6017495	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H+NH4"	19.041099
"399502"	735.314018	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+Na"	22.989218
"761590"	1091.476418	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+Na"	22.989218
"1606042"	379.151618	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Na"	22.989218
"319728"	368.160647	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+H+Na"	23.996494
"720185"	546.241847	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+H+Na"	23.996494
"1476601"	190.079447	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H+Na"	23.996494
"1068267"	127.05539	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2H+Na"	25.00377
"1269653"	389.195886	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+CH3OH+H"	33.033486
"391879"	751.287958	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+K"	38.963158
"753604"	1107.450358	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+K"	38.963158
"1554926"	395.125558	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+K"	38.963158
"311736"	376.147617	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+H+K"	39.970434
"706717"	554.228817	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+H+K"	39.970434
"1461251"	198.066417	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H+K"	39.970434
"250482"	754.358626	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+ACN+H"	42.033826
"1225519"	398.196226	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+ACN+H"	42.033826
"1208777"	199.601751	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+ACN+2H"	43.041102
"203713"	757.29596	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+2Na-H"	44.97116
"642900"	1113.45836	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+2Na-H"	44.97116
"1146040"	401.13356	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2Na-H"	44.97116
"188081"	379.151618	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+2Na"	45.978436
"627431"	557.232818	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+2Na"	45.978436
"1125469"	201.070418	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2Na"	45.978436
"1413013"	134.382704	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H+2Na"	46.985712
"1444401"	403.175146	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H+HCOOH"	47.012746
"234984"	384.18464	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+3H2O+2H"	56.04448
"1520693"	417.22719	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+IsoProp+H"	61.06479
"421838"	387.138588	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+Na+K"	61.952376
"782116"	565.219788	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+Na+K"	61.952376
"1676620"	209.057388	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Na+K"	61.952376
"263507"	776.340568	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+ACN+Na"	64.015768
"1238765"	420.178168	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+ACN+Na"	64.015768
"1724001"	420.201693	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+NH4+HCOOH"	64.039293
"1188263"	141.710018	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+3Na"	68.967654
"1659249"	425.157088	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Na+HCOOH"	68.994688
"165018"	789.24384	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+2K-H"	76.91904
"602389"	1145.40624	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+2K-H"	76.91904
"1090182"	433.08144	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2K-H"	76.91904
"155275"	395.125558	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"2M+2K"	77.926316
"594225"	573.206758	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"3M+2K"	77.926316
"1078734"	217.044358	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2K"	77.926316
"1110852"	435.095992	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2K+H"	78.933592
"1347233"	435.183607	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+DMSO+H"	79.021207
"1015766"	439.222776	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2ACN+H"	83.060376
"1537174"	440.216408	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+IsoProp+Na+H"	84.054008
"1005452"	220.115026	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+2ACN+2H"	84.067652
"1602564"	441.131028	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+K+HCOOH"	84.968628
"1429823"	471.162538	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+H+CF3COOH"	115.000138
"1158448"	240.628301	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+3ACN+2H"	125.094202
"1707995"	488.189085	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+NH4+CF3COOH"	132.026685
"1648995"	493.14448	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+Na+CF3COOH"	136.98208
"1586952"	509.11842	"C10554"	"Denudatin B"	"C21H24O5"	"356.1624"	"M+K+CF3COOH"	152.95602
"807477"	400.1886	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M"	0
"983199"	381.17021	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H2O-H"	-19.01839
"73629"	265.785124	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-3H"	-3.021828
"514283"	399.181324	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-3H"	-3.021828
"892085"	132.388924	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-3H"	-3.021828
"14914"	399.181324	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H"	-2.014552
"450222"	599.275624	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H"	-2.014552
"829115"	199.087024	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H"	-2.014552
"88012"	799.369924	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-H"	-1.007276
"524292"	1199.558524	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-H"	-1.007276
"896868"	399.181324	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H"	-1.007276
"49908"	816.396471	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H+NH4"	16.019271
"488374"	1216.585071	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H+NH4"	16.019271
"864955"	416.207871	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H+NH4"	16.019271
"32249"	821.351866	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H+Na"	20.974666
"471494"	1221.540466	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H+Na"	20.974666
"863844"	421.163266	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H+Na"	20.974666
"1633010"	421.163266	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na-2H"	20.974666
"106259"	417.169663	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-H+Cl"	33.962126
"541444"	617.263963	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-H+Cl"	33.962126
"936050"	217.075363	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+Cl"	33.962126
"271694"	835.346602	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Cl"	34.969402
"663750"	1235.535202	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+Cl"	34.969402
"1276517"	435.158002	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl"	34.969402
"19072"	837.325806	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H+K"	36.948606
"458267"	1237.514406	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H+K"	36.948606
"837169"	437.137206	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H+K"	36.948606
"1559927"	437.137206	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K-2H"	36.948606
"943797"	445.186794	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+HCOOH"	44.998194
"362863"	845.375401	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+HCOOH-H"	44.998201
"351733"	859.391051	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Hac-H"	59.013851
"1494002"	459.202451	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Hac-H"	59.013851
"962641"	467.168751	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+NaCOOH"	66.980151
"114829"	435.158002	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2Cl"	69.938804
"553295"	635.252302	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2Cl"	69.938804
"1022094"	235.063702	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2Cl"	69.938804
"1242765"	479.107485	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Br"	78.918885
"1304562"	481.163472	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl+HCOOH"	80.974872
"1324905"	503.145429	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl+NaCOOH"	102.956829
"915962"	513.174186	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+CF3COOH"	112.985586
"1302514"	549.150864	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl+CF3COOH"	148.962264
"1375206"	365.175924	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H-2H2O"	-35.012676
"1387237"	383.1859	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H-H2O"	-17.0027
"285829"	801.384476	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H"	1.007276
"681534"	1201.573076	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H"	1.007276
"1355695"	401.195876	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H"	1.007276
"129675"	401.195876	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2H"	2.014552
"569234"	601.290176	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2H"	2.014552
"1043511"	201.101576	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2H"	2.014552
"210314"	267.799676	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+3H"	3.021828
"649874"	401.195876	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+3H"	3.021828
"1168364"	134.403476	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+3H"	3.021828
"427623"	818.411023	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+NH4"	18.033823
"787525"	1218.599623	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+NH4"	18.033823
"1681313"	418.222423	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+NH4"	18.033823
"330469"	409.7091495	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H+NH4"	19.041099
"726381"	609.8034495	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H+NH4"	19.041099
"1482388"	209.6148495	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+NH4"	19.041099
"395235"	823.366418	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Na"	22.989218
"754265"	1223.555018	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+Na"	22.989218
"1602985"	423.177818	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na"	22.989218
"319107"	412.186847	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H+Na"	23.996494
"717738"	612.281147	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H+Na"	23.996494
"1464996"	212.092547	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+Na"	23.996494
"1067724"	141.73079	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2H+Na"	25.00377
"1266482"	433.222086	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+CH3OH+H"	33.033486
"391622"	839.340358	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+K"	38.963158
"748240"	1239.528958	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+K"	38.963158
"1547013"	439.151758	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K"	38.963158
"302365"	420.173817	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H+K"	39.970434
"706822"	620.268117	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H+K"	39.970434
"1459183"	220.079517	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+K"	39.970434
"251328"	842.411026	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+ACN+H"	42.033826
"1225457"	442.222426	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+ACN+H"	42.033826
"1209699"	221.614851	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+ACN+2H"	43.041102
"203941"	845.34836	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2Na-H"	44.97116
"643373"	1245.53696	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2Na-H"	44.97116
"1146517"	445.15976	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2Na-H"	44.97116
"186765"	423.177818	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2Na"	45.978436
"622072"	623.272118	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2Na"	45.978436
"1125579"	223.083518	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2Na"	45.978436
"1411291"	149.058104	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+2Na"	46.985712
"1437939"	447.201346	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+HCOOH"	47.012746
"229821"	428.21084	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+3H2O+2H"	56.04448
"1522867"	461.25339	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+IsoProp+H"	61.06479
"419758"	431.164788	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Na+K"	61.952376
"783313"	631.259088	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+Na+K"	61.952376
"1678551"	231.070488	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na+K"	61.952376
"262518"	864.392968	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+ACN+Na"	64.015768
"1235226"	464.204368	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+ACN+Na"	64.015768
"1720829"	464.227893	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+NH4+HCOOH"	64.039293
"1185090"	156.385418	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+3Na"	68.967654
"1656077"	469.183288	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na+HCOOH"	68.994688
"164030"	877.29624	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2K-H"	76.91904
"603590"	1277.48484	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2K-H"	76.91904
"1091744"	477.10764	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2K-H"	76.91904
"151491"	439.151758	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2K"	77.926316
"591781"	639.246058	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2K"	77.926316
"1078841"	239.057458	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2K"	77.926316
"1105487"	479.122192	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2K+H"	78.933592
"1340779"	479.209807	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+DMSO+H"	79.021207
"1016969"	483.248976	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2ACN+H"	83.060376
"1535097"	484.242608	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+IsoProp+Na+H"	84.054008
"1000450"	242.128126	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2ACN+2H"	84.067652
"1596048"	485.157228	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K+HCOOH"	84.968628
"1424986"	515.188738	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+CF3COOH"	115.000138
"1157460"	262.641401	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+3ACN+2H"	125.094202
"1704823"	532.215285	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+NH4+CF3COOH"	132.026685
"1644849"	537.17068	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na+CF3COOH"	136.98208
"1577219"	553.14462	"C10555"	"Deoxygomisin A;()-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K+CF3COOH"	152.95602
"807587"	398.1366	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M"	0
"984402"	379.11821	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-H2O-H"	-19.01839
"73739"	264.417124	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M-3H"	-3.021828
"514393"	397.129324	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M-3H"	-3.021828
"894382"	131.704924	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-3H"	-3.021828
"14054"	397.129324	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M-2H"	-2.014552
"453613"	596.197624	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M-2H"	-2.014552
"830321"	198.061024	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-2H"	-2.014552
"87030"	795.265924	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M-H"	-1.007276
"524402"	1193.402524	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M-H"	-1.007276
"898923"	397.129324	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-H"	-1.007276
"50018"	812.292471	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M-2H+NH4"	16.019271
"491764"	1210.429071	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M-2H+NH4"	16.019271
"866282"	414.155871	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-2H+NH4"	16.019271
"34183"	817.247866	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M-2H+Na"	20.974666
"472651"	1215.384466	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M-2H+Na"	20.974666
"861885"	419.111266	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-2H+Na"	20.974666
"1632391"	419.111266	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Na-2H"	20.974666
"106369"	415.117663	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M-H+Cl"	33.962126
"540462"	614.185963	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M-H+Cl"	33.962126
"937255"	216.049363	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-H+Cl"	33.962126
"269983"	831.242602	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+Cl"	34.969402
"662401"	1229.379202	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+Cl"	34.969402
"1275535"	433.106002	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Cl"	34.969402
"18453"	833.221806	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M-2H+K"	36.948606
"459470"	1231.358406	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M-2H+K"	36.948606
"836186"	435.085206	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-2H+K"	36.948606
"1557851"	435.085206	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+K-2H"	36.948606
"943905"	443.134794	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-H+HCOOH"	44.998194
"362854"	841.271401	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+HCOOH-H"	44.998201
"349657"	855.287051	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+Hac-H"	59.013851
"1493503"	457.150451	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Hac-H"	59.013851
"959592"	465.116751	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-H+NaCOOH"	66.980151
"113846"	433.106002	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+2Cl"	69.938804
"556686"	632.174302	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+2Cl"	69.938804
"1023299"	234.037702	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2Cl"	69.938804
"1242024"	477.055485	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Br"	78.918885
"1304596"	479.111472	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Cl+HCOOH"	80.974872
"1325015"	501.093429	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Cl+NaCOOH"	102.956829
"916072"	511.122186	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M-H+CF3COOH"	112.985586
"1299342"	547.098864	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Cl+CF3COOH"	148.962264
"1370212"	363.123924	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H-2H2O"	-35.012676
"1389535"	381.1339	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H-H2O"	-17.0027
"289220"	797.280476	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+H"	1.007276
"677629"	1195.417076	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+H"	1.007276
"1355805"	399.143876	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H"	1.007276
"129785"	399.143876	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+2H"	2.014552
"567522"	598.212176	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+2H"	2.014552
"1043621"	200.075576	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2H"	2.014552
"209331"	266.431676	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+3H"	3.021828
"649259"	399.143876	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+3H"	3.021828
"1167745"	133.719476	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+3H"	3.021828
"427370"	814.307023	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+NH4"	18.033823
"786783"	1212.443623	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+NH4"	18.033823
"1684331"	416.170423	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+NH4"	18.033823
"330903"	407.6571495	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+H+NH4"	19.041099
"723199"	606.7254495	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+H+NH4"	19.041099
"1477799"	208.5888495	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H+NH4"	19.041099
"393516"	819.262418	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+Na"	22.989218
"754714"	1217.399018	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+Na"	22.989218
"1603339"	421.125818	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Na"	22.989218
"321040"	410.134847	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+H+Na"	23.996494
"715662"	609.203147	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+H+Na"	23.996494
"1466200"	211.066547	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H+Na"	23.996494
"1066011"	141.04679	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2H+Na"	25.00377
"1265499"	431.170086	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+CH3OH+H"	33.033486
"391004"	835.236358	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+K"	38.963158
"747257"	1233.372958	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+K"	38.963158
"1547123"	437.099758	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+K"	38.963158
"300289"	418.121817	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+H+K"	39.970434
"706203"	617.190117	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+H+K"	39.970434
"1459293"	219.053517	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H+K"	39.970434
"251378"	838.307026	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+ACN+H"	42.033826
"1225117"	440.170426	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+ACN+H"	42.033826
"1209768"	220.588851	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+ACN+2H"	43.041102
"203080"	841.24436	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+2Na-H"	44.97116
"642999"	1239.38096	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+2Na-H"	44.97116
"1146018"	443.10776	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2Na-H"	44.97116
"186875"	421.125818	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+2Na"	45.978436
"623275"	620.194118	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+2Na"	45.978436
"1125689"	222.057518	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2Na"	45.978436
"1409214"	148.374104	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H+2Na"	46.985712
"1439142"	445.149346	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H+HCOOH"	47.012746
"231024"	426.15884	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+3H2O+2H"	56.04448
"1522371"	459.20139	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+IsoProp+H"	61.06479
"419868"	429.112788	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+Na+K"	61.952376
"783424"	628.181088	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+Na+K"	61.952376
"1677204"	230.044488	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Na+K"	61.952376
"261534"	860.288968	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+ACN+Na"	64.015768
"1235336"	462.152368	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+ACN+Na"	64.015768
"1722032"	462.175893	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+NH4+HCOOH"	64.039293
"1187385"	155.701418	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+3Na"	68.967654
"1656187"	467.131288	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Na+HCOOH"	68.994688
"164140"	873.19224	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+2K-H"	76.91904
"604795"	1271.32884	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+2K-H"	76.91904
"1092584"	475.05564	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2K-H"	76.91904
"147222"	437.099758	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"2M+2K"	77.926316
"591162"	636.168058	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"3M+2K"	77.926316
"1076764"	238.031458	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2K"	77.926316
"1105597"	477.070192	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2K+H"	78.933592
"1339796"	477.157807	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+DMSO+H"	79.021207
"1015986"	481.196976	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2ACN+H"	83.060376
"1535207"	482.190608	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+IsoProp+Na+H"	84.054008
"1000560"	241.102126	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+2ACN+2H"	84.067652
"1596157"	483.105228	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+K+HCOOH"	84.968628
"1424003"	513.136738	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+H+CF3COOH"	115.000138
"1156476"	261.615401	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+3ACN+2H"	125.094202
"1708213"	530.163285	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+NH4+CF3COOH"	132.026685
"1644959"	535.11868	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+Na+CF3COOH"	136.98208
"1577329"	551.09262	"C10556"	"Deoxypodophyllotoxin;(-)-Deoxypodophyllotoxin;(5R5aR8aR)-5-(345-Trimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5a)-one"	"C22H22O7"	"398.1366"	"M+K+CF3COOH"	152.95602
"807697"	400.1522	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M"	0
"981232"	381.13381	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-H2O-H"	-19.01839
"73849"	265.760857333333	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M-3H"	-3.021828
"514503"	399.144924	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M-3H"	-3.021828
"892305"	132.376790666667	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-3H"	-3.021828
"15133"	399.144924	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M-2H"	-2.014552
"450443"	599.221024	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M-2H"	-2.014552
"828243"	199.068824	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-2H"	-2.014552
"86046"	799.297124	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M-H"	-1.007276
"524512"	1199.449324	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M-H"	-1.007276
"899033"	399.144924	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-H"	-1.007276
"49035"	816.323671	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M-2H+NH4"	16.019271
"489687"	1216.475871	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M-2H+NH4"	16.019271
"866512"	416.171471	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-2H+NH4"	16.019271
"33321"	821.279066	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M-2H+Na"	20.974666
"471864"	1221.431266	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M-2H+Na"	20.974666
"862480"	421.126866	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-2H+Na"	20.974666
"1632744"	421.126866	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Na-2H"	20.974666
"103199"	417.133263	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M-H+Cl"	33.962126
"538020"	617.209363	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M-H+Cl"	33.962126
"937365"	217.057163	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-H+Cl"	33.962126
"268017"	835.273802	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+Cl"	34.969402
"662148"	1235.426002	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+Cl"	34.969402
"1276374"	435.121602	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Cl"	34.969402
"18198"	837.253006	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M-2H+K"	36.948606
"458121"	1237.405206	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M-2H+K"	36.948606
"833500"	437.100806	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-2H+K"	36.948606
"1557231"	437.100806	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+K-2H"	36.948606
"943161"	445.150394	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-H+HCOOH"	44.998194
"362228"	845.302601	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+HCOOH-H"	44.998201
"348673"	859.318251	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+Hac-H"	59.013851
"1494586"	459.166051	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Hac-H"	59.013851
"959581"	467.132351	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-H+NaCOOH"	66.980151
"113956"	435.121602	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+2Cl"	69.938804
"554609"	635.197702	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+2Cl"	69.938804
"1022679"	235.045502	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2Cl"	69.938804
"1242258"	479.071085	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Br"	78.918885
"1306164"	481.127072	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Cl+HCOOH"	80.974872
"1324032"	503.109029	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Cl+NaCOOH"	102.956829
"915089"	513.137786	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M-H+CF3COOH"	112.985586
"1298359"	549.114464	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Cl+CF3COOH"	148.962264
"1367282"	365.139524	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H-2H2O"	-35.012676
"1387457"	383.1495	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H-H2O"	-17.0027
"283859"	801.311676	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+H"	1.007276
"676647"	1201.463876	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+H"	1.007276
"1352631"	401.159476	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H"	1.007276
"128802"	401.159476	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+2H"	2.014552
"569453"	601.235576	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+2H"	2.014552
"1044824"	201.083376	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2H"	2.014552
"210898"	267.775409333333	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+3H"	3.021828
"650826"	401.159476	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+3H"	3.021828
"1167126"	134.391342666667	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+3H"	3.021828
"426751"	818.338223	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+NH4"	18.033823
"785921"	1218.490423	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+NH4"	18.033823
"1684077"	418.186023	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+NH4"	18.033823
"330894"	409.6727495	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+H+NH4"	19.041099
"724042"	609.7488495	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+H+NH4"	19.041099
"1478233"	209.5966495	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H+NH4"	19.041099
"394114"	823.293618	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+Na"	22.989218
"755108"	1223.445818	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+Na"	22.989218
"1603937"	423.141418	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Na"	22.989218
"320057"	412.150447	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+H+Na"	23.996494
"713586"	612.226547	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+H+Na"	23.996494
"1468496"	212.074347	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H+Na"	23.996494
"1063934"	141.718656666667	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2H+Na"	25.00377
"1261235"	433.185686	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+CH3OH+H"	33.033486
"388198"	839.267558	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+K"	38.963158
"741900"	1239.419758	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+K"	38.963158
"1543953"	439.115358	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+K"	38.963158
"299669"	420.137417	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+H+K"	39.970434
"704493"	620.213517	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+H+K"	39.970434
"1458311"	220.061317	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H+K"	39.970434
"250445"	842.338226	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+ACN+H"	42.033826
"1225424"	442.186026	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+ACN+H"	42.033826
"1209592"	221.596651	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+ACN+2H"	43.041102
"202337"	845.27556	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+2Na-H"	44.97116
"642259"	1245.42776	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+2Na-H"	44.97116
"1144910"	445.12336	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2Na-H"	44.97116
"183826"	423.141418	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+2Na"	45.978436
"620105"	623.217518	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+2Na"	45.978436
"1123612"	223.065318	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2Na"	45.978436
"1408231"	149.045970666667	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H+2Na"	46.985712
"1438159"	447.164946	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H+HCOOH"	47.012746
"231134"	428.17444	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+3H2O+2H"	56.04448
"1522238"	461.21699	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+IsoProp+H"	61.06479
"419978"	431.128388	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+Na+K"	61.952376
"782075"	631.204488	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+Na+K"	61.952376
"1672937"	231.052288	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Na+K"	61.952376
"260551"	864.320168	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+ACN+Na"	64.015768
"1235446"	464.167968	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+ACN+Na"	64.015768
"1721049"	464.191493	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+NH4+HCOOH"	64.039293
"1186402"	156.373284666667	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+3Na"	68.967654
"1658483"	469.146888	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Na+HCOOH"	68.994688
"166436"	877.22344	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+2K-H"	76.91904
"603447"	1277.37564	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+2K-H"	76.91904
"1093786"	477.07124	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2K-H"	76.91904
"148425"	439.115358	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"2M+2K"	77.926316
"592360"	639.191458	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"3M+2K"	77.926316
"1079060"	239.039258	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2K"	77.926316
"1103521"	479.085792	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2K+H"	78.933592
"1339906"	479.173407	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+DMSO+H"	79.021207
"1017189"	483.212576	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2ACN+H"	83.060376
"1535317"	484.206208	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+IsoProp+Na+H"	84.054008
"1000670"	242.109926	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+2ACN+2H"	84.067652
"1595174"	485.120828	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+K+HCOOH"	84.968628
"1424113"	515.152338	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+H+CF3COOH"	115.000138
"1156586"	262.623201	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+3ACN+2H"	125.094202
"1705043"	532.178885	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+NH4+CF3COOH"	132.026685
"1645069"	537.13428	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+Na+CF3COOH"	136.98208
"1577439"	553.10822	"C10557"	"Dihydroanhydropodorhizol;Yatein;(-)-Yatein;(3R4R)-4-(13-Benzodioxol-5-ylmethyl)-3-(345-trimethoxybenzyl)dihydrofuran-2(3H)-one"	"C22H24O7"	"400.1522"	"M+K+CF3COOH"	152.95602
"807807"	358.1416	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M"	0
"981342"	339.12321	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"73959"	237.753790666667	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"514613"	357.134324	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"894928"	118.373257333333	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"15124"	357.134324	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"450553"	536.205124	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"828353"	178.063524	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"90530"	715.275924	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"524622"	1073.417524	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"899143"	357.134324	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"49387"	732.302471	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"490890"	1090.444071	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"866622"	374.160871	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"33065"	737.257866	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"471773"	1095.399466	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"862711"	379.116266	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1632854"	379.116266	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"103306"	375.122663	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"540679"	554.193463	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"934194"	196.051863	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"268248"	751.252602	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"662260"	1109.394202	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1276118"	393.111002	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"18308"	753.231806	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"457866"	1111.373406	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"834577"	395.090206	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1556612"	395.090206	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"943430"	403.139794	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"362095"	761.281401	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"347690"	775.297051	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1494327"	417.155451	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"960784"	425.121751	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"111028"	393.111002	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"552532"	572.181802	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1026800"	214.040202	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1244192"	437.060485	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1305547"	439.116472	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1325235"	461.098429	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"917385"	471.127186	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1296283"	507.103864	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1367881"	323.128924	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1387565"	341.1389	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"283276"	717.290476	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"679673"	1075.432076	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1352742"	359.148876	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"128183"	359.148876	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"568470"	538.219676	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1043841"	180.078076	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"208822"	239.768342666667	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"648385"	359.148876	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1166873"	120.387809333333	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"424796"	734.317023	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"786148"	1092.458623	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1681513"	376.175423	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"331125"	367.6621495	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"724029"	546.7329495	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1477484"	188.5913495	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"394468"	739.272418	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"754977"	1097.414018	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1606112"	381.130818	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"319072"	370.139847	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"714789"	549.210647	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1469700"	191.069047	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1063680"	127.715123333333	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1264625"	391.175086	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"387212"	755.246358	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"744197"	1113.387958	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1544063"	397.104758	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"300143"	378.126817	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"704967"	557.197617	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1459150"	199.056017	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"241553"	758.317026	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1220823"	400.175426	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1209092"	200.591351	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"201596"	761.25436	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"642490"	1119.39596	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1144656"	403.11276	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"183936"	381.130818	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"620215"	560.201618	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1124816"	202.060018	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1406154"	135.042437333333	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1439361"	405.154346	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"230150"	386.16384	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1522956"	419.20639	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"420088"	389.117788	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"781090"	568.188588	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1675233"	210.046988	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"260660"	780.298968	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1236648"	422.157368	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1722252"	422.180893	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1187605"	142.369751333333	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1657499"	427.136288	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"166546"	793.20224	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"605013"	1151.34384	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1092803"	435.06064	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"147442"	397.104758	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"590284"	576.175558	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1076983"	218.033958	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1103631"	437.075192	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1338922"	437.162807	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1017299"	441.201976	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1536520"	442.195608	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"1001873"	221.104626	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1595284"	443.110228	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1423129"	473.141738	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1154510"	241.617901	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1706246"	490.168285	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1645179"	495.12368	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1577549"	511.09762	"C10558"	"Dihydrocubebin"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"815938"	380.0896	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M"	0
"981452"	361.07121	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-H2O-H"	-19.01839
"74069"	252.385790666667	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M-3H"	-3.021828
"517639"	379.082324	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M-3H"	-3.021828
"894956"	125.689257333333	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-3H"	-3.021828
"15155"	379.082324	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M-2H"	-2.014552
"450663"	569.127124	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M-2H"	-2.014552
"828463"	189.037524	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-2H"	-2.014552
"90640"	759.171924	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M-H"	-1.007276
"524732"	1139.261524	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M-H"	-1.007276
"898524"	379.082324	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-H"	-1.007276
"48646"	776.198471	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M-2H+NH4"	16.019271
"489907"	1156.288071	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M-2H+NH4"	16.019271
"866733"	396.108871	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-2H+NH4"	16.019271
"33542"	781.153866	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M-2H+Na"	20.974666
"472247"	1161.243466	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M-2H+Na"	20.974666
"856260"	401.064266	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-2H+Na"	20.974666
"1631262"	401.064266	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Na-2H"	20.974666
"105603"	397.070663	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M-H+Cl"	33.962126
"541883"	587.115463	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M-H+Cl"	33.962126
"933210"	207.025863	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-H+Cl"	33.962126
"271765"	795.148602	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+Cl"	34.969402
"663095"	1175.238202	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+Cl"	34.969402
"1274770"	415.059002	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Cl"	34.969402
"18418"	797.127806	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M-2H+K"	36.948606
"458340"	1177.217406	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M-2H+K"	36.948606
"834325"	417.038206	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-2H+K"	36.948606
"1558911"	417.038206	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+K-2H"	36.948606
"944236"	425.087794	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-H+HCOOH"	44.998194
"361960"	805.177401	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+HCOOH-H"	44.998201
"349987"	819.193051	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+Hac-H"	59.013851
"1494317"	439.103451	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Hac-H"	59.013851
"960894"	447.069751	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-H+NaCOOH"	66.980151
"111138"	415.059002	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+2Cl"	69.938804
"550937"	605.103802	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+2Cl"	69.938804
"1026910"	225.014202	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2Cl"	69.938804
"1244302"	459.008485	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Br"	78.918885
"1310031"	461.064472	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Cl+HCOOH"	80.974872
"1326438"	483.046429	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Cl+NaCOOH"	102.956829
"917495"	493.075186	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M-H+CF3COOH"	112.985586
"1293113"	529.051864	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Cl+CF3COOH"	148.962264
"1369084"	345.076924	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H-2H2O"	-35.012676
"1384395"	363.0869	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H-H2O"	-17.0027
"284440"	761.186476	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+H"	1.007276
"676372"	1141.276076	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+H"	1.007276
"1351629"	381.096876	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H"	1.007276
"129389"	381.096876	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+2H"	2.014552
"566514"	571.141676	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+2H"	2.014552
"1043951"	191.052076	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2H"	2.014552
"208203"	254.400342666667	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+3H"	3.021828
"646671"	381.096876	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+3H"	3.021828
"1164796"	127.703809333333	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+3H"	3.021828
"424660"	778.213023	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+NH4"	18.033823
"786141"	1158.302623	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+NH4"	18.033823
"1681823"	398.123423	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+NH4"	18.033823
"332207"	389.6101495	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+H+NH4"	19.041099
"724263"	579.6549495	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+H+NH4"	19.041099
"1477593"	199.5653495	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H+NH4"	19.041099
"396037"	783.168418	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+Na"	22.989218
"758126"	1163.258018	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+Na"	22.989218
"1605859"	403.078818	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Na"	22.989218
"316266"	392.087847	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+H+Na"	23.996494
"713805"	582.132647	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+H+Na"	23.996494
"1468717"	202.043047	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H+Na"	23.996494
"1064882"	135.031123333333	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2H+Na"	25.00377
"1263642"	413.123086	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+CH3OH+H"	33.033486
"387322"	799.142358	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+K"	38.963158
"743214"	1179.231958	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+K"	38.963158
"1543444"	419.052758	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+K"	38.963158
"300982"	400.074817	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+H+K"	39.970434
"703614"	590.119617	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+H+K"	39.970434
"1460352"	210.030017	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H+K"	39.970434
"243850"	802.213026	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+ACN+H"	42.033826
"1223849"	422.123426	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+ACN+H"	42.033826
"1209568"	211.565351	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+ACN+2H"	43.041102
"202435"	805.15036	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+2Na-H"	44.97116
"642844"	1185.23996	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+2Na-H"	44.97116
"1141850"	425.06076	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2Na-H"	44.97116
"184046"	403.078818	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+2Na"	45.978436
"620325"	593.123618	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+2Na"	45.978436
"1124926"	213.034018	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2Na"	45.978436
"1404076"	142.358437333333	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H+2Na"	46.985712
"1437285"	427.102346	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H+HCOOH"	47.012746
"230260"	408.11184	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+3H2O+2H"	56.04448
"1521606"	441.15439	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+IsoProp+H"	61.06479
"423480"	411.065788	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+Na+K"	61.952376
"777920"	601.110588	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+Na+K"	61.952376
"1675341"	221.020988	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Na+K"	61.952376
"261862"	824.194968	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+ACN+Na"	64.015768
"1230923"	444.105368	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+ACN+Na"	64.015768
"1720173"	444.128893	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+NH4+HCOOH"	64.039293
"1187713"	149.685751333333	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+3Na"	68.967654
"1657607"	449.084288	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Na+HCOOH"	68.994688
"163375"	837.09824	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+2K-H"	76.91904
"604029"	1217.18784	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+2K-H"	76.91904
"1087452"	457.00864	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2K-H"	76.91904
"146458"	419.052758	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"2M+2K"	77.926316
"591490"	609.097558	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"3M+2K"	77.926316
"1077093"	229.007958	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2K"	77.926316
"1109209"	459.023192	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2K+H"	78.933592
"1339032"	459.110807	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+DMSO+H"	79.021207
"1019476"	463.149976	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2ACN+H"	83.060376
"1535537"	464.143608	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+IsoProp+Na+H"	84.054008
"1004781"	232.078626	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+2ACN+2H"	84.067652
"1600862"	465.058228	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+K+HCOOH"	84.968628
"1424332"	495.089738	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+H+CF3COOH"	115.000138
"1155713"	252.591901	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+3ACN+2H"	125.094202
"1706356"	512.116285	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+NH4+CF3COOH"	132.026685
"1645289"	517.07168	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+Na+CF3COOH"	136.98208
"1577659"	533.04562	"C10559"	"Diphyllin"	"C21H16O7"	"380.0896"	"M+K+CF3COOH"	152.95602
"816899"	550.205	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M"	0
"984841"	531.18661	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-H2O-H"	-19.01839
"77095"	365.796057333333	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M-3H"	-3.021828
"514832"	549.197724	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M-3H"	-3.021828
"895426"	182.394390666667	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-3H"	-3.021828
"13396"	549.197724	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M-2H"	-2.014552
"452960"	824.300224	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M-2H"	-2.014552
"828573"	274.095224	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-2H"	-2.014552
"91843"	1099.402724	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M-H"	-1.007276
"527029"	1649.607724	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M-H"	-1.007276
"901550"	549.197724	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-H"	-1.007276
"50093"	1116.429271	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M-2H+NH4"	16.019271
"493295"	1666.634271	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M-2H+NH4"	16.019271
"865630"	566.224271	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-2H+NH4"	16.019271
"34626"	1121.384666	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M-2H+Na"	20.974666
"471495"	1671.589666	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M-2H+Na"	20.974666
"859650"	571.179666	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-2H+Na"	20.974666
"1626997"	571.179666	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Na-2H"	20.974666
"106805"	567.186063	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M-H+Cl"	33.962126
"543085"	842.288563	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M-H+Cl"	33.962126
"936600"	292.083563	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-H+Cl"	33.962126
"271875"	1135.379402	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+Cl"	34.969402
"662111"	1685.584402	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+Cl"	34.969402
"1276700"	585.174402	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Cl"	34.969402
"18528"	1137.358606	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M-2H+K"	36.948606
"459911"	1687.563606	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M-2H+K"	36.948606
"836620"	587.153606	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-2H+K"	36.948606
"1557928"	587.153606	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+K-2H"	36.948606
"943620"	595.203194	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-H+HCOOH"	44.998194
"362561"	1145.408201	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+HCOOH-H"	44.998201
"350097"	1159.423851	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+Hac-H"	59.013851
"1493458"	609.218851	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Hac-H"	59.013851
"963190"	617.185151	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-H+NaCOOH"	66.980151
"110517"	585.174402	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+2Cl"	69.938804
"553842"	860.276902	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+2Cl"	69.938804
"1027020"	310.071902	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2Cl"	69.938804
"1245505"	629.123885	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Br"	78.918885
"1312328"	631.179872	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Cl+HCOOH"	80.974872
"1327642"	653.161829	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Cl+NaCOOH"	102.956829
"917606"	663.190586	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M-H+CF3COOH"	112.985586
"1296503"	699.167264	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Cl+CF3COOH"	148.962264
"1371381"	515.192324	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H-2H2O"	-35.012676
"1388879"	533.2023	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H-H2O"	-17.0027
"283945"	1101.417276	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+H"	1.007276
"678799"	1651.622276	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+H"	1.007276
"1354053"	551.212276	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H"	1.007276
"132414"	551.212276	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+2H"	2.014552
"570877"	826.314776	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+2H"	2.014552
"1047340"	276.109776	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2H"	2.014552
"210865"	367.810609333333	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+3H"	3.021828
"647874"	551.212276	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+3H"	3.021828
"1166361"	184.408942666667	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+3H"	3.021828
"429630"	1118.443823	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+NH4"	18.033823
"790624"	1668.648823	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+NH4"	18.033823
"1683675"	568.238823	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+NH4"	18.033823
"335233"	559.7255495	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+H+NH4"	19.041099
"725468"	834.8280495	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+H+NH4"	19.041099
"1479287"	284.6230495	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H+NH4"	19.041099
"400157"	1123.399218	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+Na"	22.989218
"757873"	1673.604218	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+Na"	22.989218
"1608156"	573.194218	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Na"	22.989218
"318198"	562.203247	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+H+Na"	23.996494
"716102"	837.305747	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+H+Na"	23.996494
"1469921"	287.100747	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H+Na"	23.996494
"1063169"	191.736256666667	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2H+Na"	25.00377
"1266669"	583.238486	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+CH3OH+H"	33.033486
"386703"	1139.373158	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+K"	38.963158
"743324"	1689.578158	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+K"	38.963158
"1544283"	589.168158	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+K"	38.963158
"302914"	570.190217	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+H+K"	39.970434
"703724"	845.292717	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+H+K"	39.970434
"1460221"	295.087717	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H+K"	39.970434
"243960"	1142.443826	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+ACN+H"	42.033826
"1221043"	592.238826	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+ACN+H"	42.033826
"1209309"	296.623051	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+ACN+2H"	43.041102
"202179"	1145.38116	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+2Na-H"	44.97116
"643992"	1695.58616	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+2Na-H"	44.97116
"1145240"	595.17616	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2Na-H"	44.97116
"184156"	573.194218	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+2Na"	45.978436
"621163"	848.296718	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+2Na"	45.978436
"1125036"	298.091718	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2Na"	45.978436
"1405279"	199.063570666667	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H+2Na"	46.985712
"1435573"	597.217746	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H+HCOOH"	47.012746
"229278"	578.22724	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+3H2O+2H"	56.04448
"1522810"	611.26979	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+IsoProp+H"	61.06479
"424243"	581.181188	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+Na+K"	61.952376
"780217"	856.283688	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+Na+K"	61.952376
"1676546"	306.078688	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Na+K"	61.952376
"260879"	1164.425768	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+ACN+Na"	64.015768
"1232493"	614.220768	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+ACN+Na"	64.015768
"1720287"	614.244293	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+NH4+HCOOH"	64.039293
"1186736"	206.390884666667	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+3Na"	68.967654
"1655534"	619.199688	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Na+HCOOH"	68.994688
"162395"	1177.32904	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+2K-H"	76.91904
"601952"	1727.53404	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+2K-H"	76.91904
"1089749"	627.12404	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2K-H"	76.91904
"146568"	589.168158	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"2M+2K"	77.926316
"593786"	864.270658	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"3M+2K"	77.926316
"1077203"	314.065658	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2K"	77.926316
"1103851"	629.138592	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2K+H"	78.933592
"1340235"	629.226207	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+DMSO+H"	79.021207
"1014234"	633.265376	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2ACN+H"	83.060376
"1535647"	634.259008	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+IsoProp+Na+H"	84.054008
"1002091"	317.136326	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+2ACN+2H"	84.067652
"1600972"	635.173628	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+K+HCOOH"	84.968628
"1425535"	665.205138	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+H+CF3COOH"	115.000138
"1156916"	337.649601	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+3ACN+2H"	125.094202
"1705372"	682.231685	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+NH4+CF3COOH"	132.026685
"1645399"	687.18708	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+Na+CF3COOH"	136.98208
"1577769"	703.16102	"C10560"	"Eucommin A;Medioresinol 4-O-beta-D-glucopyranoside"	"C27H34O12"	"550.205"	"M+K+CF3COOH"	152.95602
"815064"	386.1729	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M"	0
"983858"	367.15451	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-H2O-H"	-19.01839
"72103"	256.441324	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M-3H"	-3.021828
"513849"	385.165624	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M-3H"	-3.021828
"892746"	127.717024	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-3H"	-3.021828
"11320"	385.165624	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M-2H"	-2.014552
"448695"	578.252074	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M-2H"	-2.014552
"823216"	192.079174	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-2H"	-2.014552
"84298"	771.338524	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M-H"	-1.007276
"520578"	1157.511424	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M-H"	-1.007276
"898380"	385.165624	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-H"	-1.007276
"47405"	788.365071	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M-2H+NH4"	16.019271
"487330"	1174.537971	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M-2H+NH4"	16.019271
"864297"	402.192171	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-2H+NH4"	16.019271
"31611"	793.320466	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M-2H+Na"	20.974666
"471438"	1179.493366	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M-2H+Na"	20.974666
"859760"	407.147566	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-2H+Na"	20.974666
"1627107"	407.147566	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Na-2H"	20.974666
"106551"	403.153963	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M-H+Cl"	33.962126
"538820"	596.240413	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M-H+Cl"	33.962126
"930148"	210.067513	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-H+Cl"	33.962126
"270892"	807.315202	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+Cl"	34.969402
"661125"	1193.488102	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+Cl"	34.969402
"1276079"	421.142302	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Cl"	34.969402
"19000"	809.294406	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M-2H+K"	36.948606
"457102"	1195.467306	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M-2H+K"	36.948606
"835272"	423.121506	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-2H+K"	36.948606
"1561311"	423.121506	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+K-2H"	36.948606
"943366"	431.171094	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-H+HCOOH"	44.998194
"361579"	817.344001	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+HCOOH-H"	44.998201
"348021"	831.359651	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+Hac-H"	59.013851
"1492852"	445.186751	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Hac-H"	59.013851
"959170"	453.153051	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-H+NaCOOH"	66.980151
"111116"	421.142302	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+2Cl"	69.938804
"553952"	614.228752	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+2Cl"	69.938804
"1024943"	228.055852	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2Cl"	69.938804
"1244521"	465.091785	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Br"	78.918885
"1310251"	467.147772	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Cl+HCOOH"	80.974872
"1323377"	489.129729	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Cl+NaCOOH"	102.956829
"915530"	499.158486	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M-H+CF3COOH"	112.985586
"1296613"	535.135164	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Cl+CF3COOH"	148.962264
"1367724"	351.160224	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H-2H2O"	-35.012676
"1382787"	369.1702	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H-H2O"	-17.0027
"283324"	773.353076	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+H"	1.007276
"676720"	1159.525976	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+H"	1.007276
"1354163"	387.180176	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H"	1.007276
"128148"	387.180176	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+2H"	2.014552
"569164"	580.266626	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+2H"	2.014552
"1041252"	194.093726	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2H"	2.014552
"205871"	258.455876	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+3H"	3.021828
"646891"	387.180176	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+3H"	3.021828
"1163920"	129.731576	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+3H"	3.021828
"426460"	790.379623	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+NH4"	18.033823
"789641"	1176.552523	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+NH4"	18.033823
"1683784"	404.206723	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+NH4"	18.033823
"334250"	395.6934495	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+H+NH4"	19.041099
"724485"	588.7798995	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+H+NH4"	19.041099
"1481585"	202.6069995	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H+NH4"	19.041099
"396256"	795.335018	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+Na"	22.989218
"755429"	1181.507918	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+Na"	22.989218
"1608265"	409.162118	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Na"	22.989218
"316117"	398.171147	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+H+Na"	23.996494
"712933"	591.257597	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+H+Na"	23.996494
"1466752"	205.084697	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H+Na"	23.996494
"1058907"	137.05889	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2H+Na"	25.00377
"1263863"	419.206386	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+CH3OH+H"	33.033486
"385721"	811.308958	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+K"	38.963158
"745620"	1197.481858	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+K"	38.963158
"1546580"	425.136058	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+K"	38.963158
"301202"	406.158117	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+H+K"	39.970434
"703834"	599.244567	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+H+K"	39.970434
"1460208"	213.071667	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H+K"	39.970434
"246257"	814.379626	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+ACN+H"	42.033826
"1220789"	428.206726	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+ACN+H"	42.033826
"1209422"	214.607001	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+ACN+2H"	43.041102
"202289"	817.31696	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+2Na-H"	44.97116
"643914"	1203.48986	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+2Na-H"	44.97116
"1144257"	431.14406	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2Na-H"	44.97116
"184266"	409.162118	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+2Na"	45.978436
"620909"	602.248568	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+2Na"	45.978436
"1121866"	216.075668	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2Na"	45.978436
"1404295"	144.386204	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H+2Na"	46.985712
"1435319"	433.185646	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H+HCOOH"	47.012746
"229387"	414.19514	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+3H2O+2H"	56.04448
"1522556"	447.23769	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+IsoProp+H"	61.06479
"422608"	417.149088	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+Na+K"	61.952376
"780327"	610.235538	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+Na+K"	61.952376
"1675563"	224.062638	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Na+K"	61.952376
"259896"	836.361568	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+ACN+Na"	64.015768
"1231510"	450.188668	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+ACN+Na"	64.015768
"1721491"	450.212193	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+NH4+HCOOH"	64.039293
"1185753"	151.713518	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+3Na"	68.967654
"1654551"	455.167588	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Na+HCOOH"	68.994688
"159347"	849.26484	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+2K-H"	76.91904
"602062"	1235.43774	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+2K-H"	76.91904
"1087671"	463.09194	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2K-H"	76.91904
"145585"	425.136058	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"2M+2K"	77.926316
"586239"	618.222508	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"3M+2K"	77.926316
"1071845"	232.049608	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2K"	77.926316
"1103960"	465.106492	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2K+H"	78.933592
"1340344"	465.194107	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+DMSO+H"	79.021207
"1014344"	469.233276	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2ACN+H"	83.060376
"1535757"	470.226908	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+IsoProp+Na+H"	84.054008
"1004024"	235.120276	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+2ACN+2H"	84.067652
"1599989"	471.141528	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+K+HCOOH"	84.968628
"1426738"	501.173038	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+H+CF3COOH"	115.000138
"1157026"	255.633551	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+3ACN+2H"	125.094202
"1704389"	518.199585	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+NH4+CF3COOH"	132.026685
"1645509"	523.15498	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+Na+CF3COOH"	136.98208
"1574599"	539.12892	"C10561"	"()-Eudesmin;Pinoresinol dimethyl ether"	"C22H26O6"	"386.1729"	"M+K+CF3COOH"	152.95602
"815538"	504.324	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M"	0
"983968"	485.30561	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-H2O-H"	-19.01839
"74399"	335.208724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M-3H"	-3.021828
"515052"	503.316724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M-3H"	-3.021828
"894438"	167.100724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-3H"	-3.021828
"13616"	503.316724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M-2H"	-2.014552
"448805"	755.478724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M-2H"	-2.014552
"825512"	251.154724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-2H"	-2.014552
"82222"	1007.640724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M-H"	-1.007276
"523239"	1511.964724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M-H"	-1.007276
"901771"	503.316724	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-H"	-1.007276
"48368"	1024.667271	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M-2H+NH4"	16.019271
"488292"	1528.991271	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M-2H+NH4"	16.019271
"865000"	520.343271	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-2H+NH4"	16.019271
"32291"	1029.622666	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M-2H+Na"	20.974666
"473312"	1533.946666	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M-2H+Na"	20.974666
"853309"	525.298666	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-2H+Na"	20.974666
"1627217"	525.298666	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Na-2H"	20.974666
"107025"	521.305063	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M-H+Cl"	33.962126
"541118"	773.467063	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M-H+Cl"	33.962126
"931350"	269.143063	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-H+Cl"	33.962126
"273189"	1043.617402	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+Cl"	34.969402
"662328"	1547.941402	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+Cl"	34.969402
"1278011"	539.293402	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Cl"	34.969402
"20569"	1045.596606	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M-2H+K"	36.948606
"459765"	1549.920606	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M-2H+K"	36.948606
"836108"	541.272606	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-2H+K"	36.948606
"1559234"	541.272606	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+K-2H"	36.948606
"944928"	549.322194	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-H+HCOOH"	44.998194
"361462"	1053.646201	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+HCOOH-H"	44.998201
"345864"	1067.661851	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+Hac-H"	59.013851
"1493228"	563.337851	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Hac-H"	59.013851
"961224"	571.304151	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-H+NaCOOH"	66.980151
"112319"	539.293402	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+2Cl"	69.938804
"552966"	791.455402	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+2Cl"	69.938804
"1023959"	287.131402	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2Cl"	69.938804
"1243902"	583.242885	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Br"	78.918885
"1310361"	585.298872	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Cl+HCOOH"	80.974872
"1323486"	607.280829	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Cl+NaCOOH"	102.956829
"915640"	617.309586	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M-H+CF3COOH"	112.985586
"1296723"	653.286264	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Cl+CF3COOH"	148.962264
"1367956"	469.311324	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H-2H2O"	-35.012676
"1382860"	487.3213	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H-H2O"	-17.0027
"284525"	1009.655276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+H"	1.007276
"680110"	1513.979276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+H"	1.007276
"1354273"	505.331276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H"	1.007276
"127893"	505.331276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+2H"	2.014552
"568910"	757.493276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+2H"	2.014552
"1043184"	253.169276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2H"	2.014552
"206706"	337.223276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+3H"	3.021828
"646635"	505.331276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+3H"	3.021828
"1165484"	169.115276	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+3H"	3.021828
"427663"	1026.681823	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+NH4"	18.033823
"789387"	1531.005823	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+NH4"	18.033823
"1684625"	522.357823	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+NH4"	18.033823
"335455"	513.8445495	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+H+NH4"	19.041099
"728241"	766.0065495	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+H+NH4"	19.041099
"1483156"	261.6825495	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H+NH4"	19.041099
"400376"	1031.637218	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+Na"	22.989218
"758820"	1535.961218	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+Na"	22.989218
"1607285"	527.313218	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Na"	22.989218
"316956"	516.322247	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+H+Na"	23.996494
"714132"	768.484247	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+H+Na"	23.996494
"1470140"	264.160247	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H+Na"	23.996494
"1061932"	176.44259	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2H+Na"	25.00377
"1267618"	537.357486	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+CH3OH+H"	33.033486
"386922"	1047.611158	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+K"	38.963158
"745730"	1551.935158	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+K"	38.963158
"1547783"	543.287158	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+K"	38.963158
"300219"	524.309217	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+H+K"	39.970434
"703580"	776.471217	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+H+K"	39.970434
"1460562"	272.147217	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H+K"	39.970434
"246367"	1050.681826	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+ACN+H"	42.033826
"1221628"	546.357826	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+ACN+H"	42.033826
"1207947"	273.682551	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+ACN+2H"	43.041102
"202400"	1053.61916	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+2Na-H"	44.97116
"642686"	1557.94316	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+2Na-H"	44.97116
"1141085"	549.29516	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2Na-H"	44.97116
"184376"	527.313218	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+2Na"	45.978436
"619926"	779.475218	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+2Na"	45.978436
"1123069"	275.151218	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2Na"	45.978436
"1402583"	183.769904	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H+2Na"	46.985712
"1436522"	551.336746	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H+HCOOH"	47.012746
"229497"	532.34624	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+3H2O+2H"	56.04448
"1521210"	565.38879	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+IsoProp+H"	61.06479
"419440"	535.300188	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+Na+K"	61.952376
"776062"	787.462188	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+Na+K"	61.952376
"1676766"	283.138188	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Na+K"	61.952376
"260006"	1072.663768	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+ACN+Na"	64.015768
"1232713"	568.339768	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+ACN+Na"	64.015768
"1720507"	568.363293	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+NH4+HCOOH"	64.039293
"1184769"	191.097218	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+3Na"	68.967654
"1655753"	573.318688	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Na+HCOOH"	68.994688
"161522"	1085.56704	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+2K-H"	76.91904
"602901"	1589.89104	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+2K-H"	76.91904
"1090696"	581.24304	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2K-H"	76.91904
"143508"	543.287158	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"2M+2K"	77.926316
"585256"	795.449158	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"3M+2K"	77.926316
"1071954"	291.125158	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2K"	77.926316
"1104068"	583.257592	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2K+H"	78.933592
"1341546"	583.345207	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+DMSO+H"	79.021207
"1014454"	587.384376	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2ACN+H"	83.060376
"1536957"	588.378008	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+IsoProp+Na+H"	84.054008
"1005431"	294.195826	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+2ACN+2H"	84.067652
"1601190"	589.292628	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+K+HCOOH"	84.968628
"1429603"	619.324138	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+H+CF3COOH"	115.000138
"1157136"	314.709101	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+3ACN+2H"	125.094202
"1701217"	636.350685	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+NH4+CF3COOH"	132.026685
"1645619"	641.30608	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+Na+CF3COOH"	136.98208
"1574709"	657.28002	"C10562"	"Eudesobovatol A"	"C33H44O4"	"504.324"	"M+K+CF3COOH"	152.95602
"814555"	372.1573	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M"	0
"981891"	353.13891	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-H2O-H"	-19.01839
"73416"	247.097590666667	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M-3H"	-3.021828
"515162"	371.150024	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M-3H"	-3.021828
"894304"	123.045157333333	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-3H"	-3.021828
"11540"	371.150024	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M-2H"	-2.014552
"452196"	557.228674	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M-2H"	-2.014552
"825622"	185.071374	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-2H"	-2.014552
"82332"	743.307324	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M-H"	-1.007276
"522256"	1115.464624	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M-H"	-1.007276
"901881"	371.150024	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-H"	-1.007276
"50788"	760.333871	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M-2H+NH4"	16.019271
"488158"	1132.491171	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M-2H+NH4"	16.019271
"868149"	388.176571	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-2H+NH4"	16.019271
"32769"	765.289266	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M-2H+Na"	20.974666
"472451"	1137.446566	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M-2H+Na"	20.974666
"853419"	393.131966	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-2H+Na"	20.974666
"1630607"	393.131966	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Na-2H"	20.974666
"107139"	389.138363	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M-H+Cl"	33.962126
"545603"	575.217013	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M-H+Cl"	33.962126
"935836"	203.059713	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-H+Cl"	33.962126
"273301"	779.284002	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+Cl"	34.969402
"663896"	1151.441302	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+Cl"	34.969402
"1277028"	407.126702	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Cl"	34.969402
"22867"	781.263206	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M-2H+K"	36.948606
"459145"	1153.420506	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M-2H+K"	36.948606
"835489"	409.105906	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-2H+K"	36.948606
"1558979"	409.105906	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+K-2H"	36.948606
"944677"	417.155494	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-H+HCOOH"	44.998194
"363618"	789.312801	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+HCOOH-H"	44.998201
"346653"	803.328451	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+Hac-H"	59.013851
"1493791"	431.171151	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Hac-H"	59.013851
"959145"	439.137451	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-H+NaCOOH"	66.980151
"111335"	407.126702	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+2Cl"	69.938804
"551988"	593.205352	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+2Cl"	69.938804
"1022975"	221.048052	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2Cl"	69.938804
"1244742"	451.076185	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Br"	78.918885
"1311564"	453.132172	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Cl+HCOOH"	80.974872
"1324690"	475.114129	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Cl+NaCOOH"	102.956829
"919030"	485.142886	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M-H+CF3COOH"	112.985586
"1296834"	521.119564	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Cl+CF3COOH"	148.962264
"1369648"	337.144624	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H-2H2O"	-35.012676
"1385197"	355.1546	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H-H2O"	-17.0027
"284881"	745.321876	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+H"	1.007276
"682408"	1117.479176	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+H"	1.007276
"1355477"	373.164576	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H"	1.007276
"130554"	373.164576	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+2H"	2.014552
"569020"	559.243226	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+2H"	2.014552
"1038194"	187.085926	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2H"	2.014552
"206090"	249.112142666667	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+3H"	3.021828
"646380"	373.164576	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+3H"	3.021828
"1164866"	125.059709333333	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+3H"	3.021828
"427408"	762.348423	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+NH4"	18.033823
"789860"	1134.505723	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+NH4"	18.033823
"1684003"	390.191123	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+NH4"	18.033823
"333739"	381.6778495	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+H+NH4"	19.041099
"729079"	567.7564995	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+H+NH4"	19.041099
"1485088"	195.5991995	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H+NH4"	19.041099
"400486"	767.303818	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+Na"	22.989218
"757470"	1139.461118	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+Na"	22.989218
"1608121"	395.146518	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Na"	22.989218
"317066"	384.155547	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+H+Na"	23.996494
"716428"	570.234197	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+H+Na"	23.996494
"1472072"	198.076897	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H+Na"	23.996494
"1060949"	132.387023333333	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2H+Na"	25.00377
"1267000"	405.190786	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+CH3OH+H"	33.033486
"388855"	783.277758	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+K"	38.963158
"746934"	1155.435058	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+K"	38.963158
"1547893"	411.120458	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+K"	38.963158
"303244"	392.142517	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+H+K"	39.970434
"705149"	578.221167	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+H+K"	39.970434
"1453498"	206.063867	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H+K"	39.970434
"250488"	786.348426	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+ACN+H"	42.033826
"1222102"	414.191126	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+ACN+H"	42.033826
"1208667"	207.599201	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+ACN+2H"	43.041102
"202389"	789.28576	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+2Na-H"	44.97116
"643040"	1161.44306	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+2Na-H"	44.97116
"1141195"	417.12846	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2Na-H"	44.97116
"178287"	395.146518	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+2Na"	45.978436
"620400"	581.225168	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+2Na"	45.978436
"1122086"	209.067868	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2Na"	45.978436
"1403421"	139.714337333333	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H+2Na"	46.985712
"1435539"	419.170046	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H+HCOOH"	47.012746
"225233"	400.17954	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+3H2O+2H"	56.04448
"1517670"	433.22209	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+IsoProp+H"	61.06479
"420643"	403.133488	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+Na+K"	61.952376
"777997"	589.212138	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+Na+K"	61.952376
"1675786"	217.054838	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Na+K"	61.952376
"260848"	808.330368	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+ACN+Na"	64.015768
"1235379"	436.173068	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+ACN+Na"	64.015768
"1721348"	436.196593	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+NH4+HCOOH"	64.039293
"1184880"	147.041651333333	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+3Na"	68.967654
"1656592"	441.151988	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Na+HCOOH"	68.994688
"162725"	821.23364	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+2K-H"	76.91904
"602282"	1193.39094	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+2K-H"	76.91904
"1091170"	449.07634	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2K-H"	76.91904
"144710"	411.120458	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"2M+2K"	77.926316
"584266"	597.199108	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"3M+2K"	77.926316
"1072059"	225.041808	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2K"	77.926316
"1101987"	451.090892	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2K+H"	78.933592
"1338373"	451.178507	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+DMSO+H"	79.021207
"1009089"	455.217676	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2ACN+H"	83.060376
"1527217"	456.211308	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+IsoProp+Na+H"	84.054008
"1004851"	228.112476	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+2ACN+2H"	84.067652
"1600206"	457.125928	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+K+HCOOH"	84.968628
"1429145"	487.157438	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+H+CF3COOH"	115.000138
"1157246"	248.625751	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+3ACN+2H"	125.094202
"1701327"	504.183985	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+NH4+CF3COOH"	132.026685
"1646822"	509.13938	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+Na+CF3COOH"	136.98208
"1574819"	525.11332	"C10563"	"Fargesone A"	"C21H24O6"	"372.1573"	"M+K+CF3COOH"	152.95602
"816122"	360.2049	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M"	0
"977626"	341.18651	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-H2O-H"	-19.01839
"75713"	239.129324	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M-3H"	-3.021828
"506524"	359.197624	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M-3H"	-3.021828
"895394"	119.061024	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-3H"	-3.021828
"12743"	359.197624	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M-2H"	-2.014552
"453399"	539.300074	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M-2H"	-2.014552
"827918"	179.095174	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-2H"	-2.014552
"82442"	719.402524	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M-H"	-1.007276
"522002"	1079.607424	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M-H"	-1.007276
"900898"	359.197624	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-H"	-1.007276
"49806"	736.429071	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M-2H+NH4"	16.019271
"489486"	1096.633971	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M-2H+NH4"	16.019271
"871540"	376.224171	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-2H+NH4"	16.019271
"38347"	741.384466	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M-2H+Na"	20.974666
"479000"	1101.589366	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M-2H+Na"	20.974666
"854983"	381.179566	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-2H+Na"	20.974666
"1629624"	381.179566	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Na-2H"	20.974666
"107612"	377.185963	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M-H+Cl"	33.962126
"546806"	557.288413	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M-H+Cl"	33.962126
"940321"	197.083513	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-H+Cl"	33.962126
"277785"	755.379202	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+Cl"	34.969402
"664009"	1115.584102	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+Cl"	34.969402
"1277141"	395.174302	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Cl"	34.969402
"22977"	757.358406	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M-2H+K"	36.948606
"458893"	1117.563306	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M-2H+K"	36.948606
"835966"	397.153506	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-2H+K"	36.948606
"1558725"	397.153506	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+K-2H"	36.948606
"951714"	405.203094	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-H+HCOOH"	44.998194
"364463"	765.408001	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+HCOOH-H"	44.998201
"347009"	779.423651	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+Hac-H"	59.013851
"1493901"	419.218751	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Hac-H"	59.013851
"960346"	427.185051	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-H+NaCOOH"	66.980151
"115821"	395.174302	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+2Cl"	69.938804
"555381"	575.276752	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+2Cl"	69.938804
"1030741"	215.071852	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2Cl"	69.938804
"1250322"	439.123785	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Br"	78.918885
"1312771"	441.179772	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Cl+HCOOH"	80.974872
"1326986"	463.161729	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Cl+NaCOOH"	102.956829
"916953"	473.190486	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M-H+CF3COOH"	112.985586
"1293663"	509.167164	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Cl+CF3COOH"	148.962264
"1372917"	325.192224	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H-2H2O"	-35.012676
"1384943"	343.2022	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H-H2O"	-17.0027
"286816"	721.417076	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+H"	1.007276
"684705"	1081.621976	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+H"	1.007276
"1358867"	361.212176	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H"	1.007276
"135037"	361.212176	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+2H"	2.014552
"569859"	541.314626	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+2H"	2.014552
"1040490"	181.109726	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2H"	2.014552
"207293"	241.143876	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+3H"	3.021828
"647218"	361.212176	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+3H"	3.021828
"1166798"	121.075576	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+3H"	3.021828
"428611"	738.443623	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+NH4"	18.033823
"792524"	1098.648523	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+NH4"	18.033823
"1686667"	378.238723	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+NH4"	18.033823
"337135"	369.7254495	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+H+NH4"	19.041099
"732471"	549.8278995	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+H+NH4"	19.041099
"1488478"	189.6229995	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H+NH4"	19.041099
"405701"	743.399018	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+Na"	22.989218
"760498"	1103.603918	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+Na"	22.989218
"1611876"	383.194118	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Na"	22.989218
"316812"	372.203147	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+H+Na"	23.996494
"715445"	552.305597	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+H+Na"	23.996494
"1472546"	192.100697	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H+Na"	23.996494
"1066160"	128.40289	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2H+Na"	25.00377
"1269295"	393.238386	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+CH3OH+H"	33.033486
"387869"	759.372958	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+K"	38.963158
"747042"	1119.577858	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+K"	38.963158
"1546907"	399.168058	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+K"	38.963158
"302260"	380.190117	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+H+K"	39.970434
"704526"	560.292567	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+H+K"	39.970434
"1454700"	200.087667	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H+K"	39.970434
"249504"	762.443626	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+ACN+H"	42.033826
"1220389"	402.238726	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+ACN+H"	42.033826
"1208047"	201.623001	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+ACN+2H"	43.041102
"200797"	765.38096	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+2Na-H"	44.97116
"643393"	1125.58586	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+2Na-H"	44.97116
"1142398"	405.17606	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2Na-H"	44.97116
"178397"	383.194118	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+2Na"	45.978436
"621968"	563.296568	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+2Na"	45.978436
"1124382"	203.091668	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2Na"	45.978436
"1402803"	135.730204	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H+2Na"	46.985712
"1437835"	407.217646	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H+HCOOH"	47.012746
"227529"	388.22714	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+3H2O+2H"	56.04448
"1516687"	421.26969	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+IsoProp+H"	61.06479
"420023"	391.181088	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+Na+K"	61.952376
"778462"	571.283538	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+Na+K"	61.952376
"1671520"	211.078638	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Na+K"	61.952376
"258040"	784.425568	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+ACN+Na"	64.015768
"1231841"	424.220668	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+ACN+Na"	64.015768
"1717807"	424.244193	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+NH4+HCOOH"	64.039293
"1184984"	143.057518	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+3Na"	68.967654
"1654876"	429.199588	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Na+HCOOH"	68.994688
"160646"	797.32884	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+2K-H"	76.91904
"599475"	1157.53374	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+2K-H"	76.91904
"1086175"	437.12394	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2K-H"	76.91904
"144820"	399.168058	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"2M+2K"	77.926316
"585469"	579.270508	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"3M+2K"	77.926316
"1070102"	219.065608	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2K"	77.926316
"1101367"	439.138492	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2K+H"	78.933592
"1337385"	439.226107	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+DMSO+H"	79.021207
"1007376"	443.265276	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2ACN+H"	83.060376
"1527327"	444.258908	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+IsoProp+Na+H"	84.054008
"994871"	222.136276	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+2ACN+2H"	84.067652
"1591559"	445.173528	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+K+HCOOH"	84.968628
"1422690"	475.205038	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+H+CF3COOH"	115.000138
"1157356"	242.649551	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+3ACN+2H"	125.094202
"1698157"	492.231585	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+NH4+CF3COOH"	132.026685
"1645839"	497.18698	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+Na+CF3COOH"	136.98208
"1574929"	513.16092	"C10564"	"O-Acetylcypholophine"	"C20H28N2O4"	"360.2049"	"M+K+CF3COOH"	152.95602
"812953"	383.1136	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M"	0
"976643"	364.09521	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-H2O-H"	-19.01839
"74730"	254.401790666667	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M-3H"	-3.021828
"505541"	382.106324	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M-3H"	-3.021828
"894646"	126.697257333333	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-3H"	-3.021828
"11760"	382.106324	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M-2H"	-2.014552
"453509"	573.663124	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M-2H"	-2.014552
"825842"	190.549524	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-2H"	-2.014552
"85832"	765.219924	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M-H"	-1.007276
"522112"	1148.333524	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M-H"	-1.007276
"901008"	382.106324	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-H"	-1.007276
"49916"	782.246471	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M-2H+NH4"	16.019271
"490569"	1165.360071	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M-2H+NH4"	16.019271
"873837"	399.132871	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-2H+NH4"	16.019271
"38457"	787.201866	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M-2H+Na"	20.974666
"478017"	1170.315466	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M-2H+Na"	20.974666
"853636"	404.088266	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-2H+Na"	20.974666
"1630827"	404.088266	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Na-2H"	20.974666
"106264"	400.094663	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M-H+Cl"	33.962126
"546552"	591.651463	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M-H+Cl"	33.962126
"938243"	208.537863	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-H+Cl"	33.962126
"274614"	801.196602	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+Cl"	34.969402
"663755"	1184.310202	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+Cl"	34.969402
"1280531"	418.083002	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Cl"	34.969402
"23087"	803.175806	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M-2H+K"	36.948606
"460096"	1186.289406	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M-2H+K"	36.948606
"838260"	420.062206	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-2H+K"	36.948606
"1559198"	420.062206	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+K-2H"	36.948606
"946357"	428.111794	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-H+HCOOH"	44.998194
"363480"	811.225401	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+HCOOH-H"	44.998201
"346390"	825.241051	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+Hac-H"	59.013851
"1494375"	442.127451	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Hac-H"	59.013851
"960457"	450.093751	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-H+NaCOOH"	66.980151
"114835"	418.083002	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+2Cl"	69.938804
"555491"	609.639802	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+2Cl"	69.938804
"1026475"	226.526202	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2Cl"	69.938804
"1250432"	462.032485	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Br"	78.918885
"1313974"	464.088472	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Cl+HCOOH"	80.974872
"1328189"	486.070429	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Cl+NaCOOH"	102.956829
"917062"	496.099186	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M-H+CF3COOH"	112.985586
"1293773"	532.075864	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Cl+CF3COOH"	148.962264
"1373027"	348.100924	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H-2H2O"	-35.012676
"1386147"	366.1109	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H-H2O"	-17.0027
"288021"	767.234476	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+H"	1.007276
"685909"	1150.348076	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+H"	1.007276
"1360072"	384.120876	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H"	1.007276
"136240"	384.120876	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+2H"	2.014552
"570334"	575.677676	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+2H"	2.014552
"1039140"	192.564076	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2H"	2.014552
"205578"	256.416342666667	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+3H"	3.021828
"646233"	384.120876	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+3H"	3.021828
"1165451"	128.711809333333	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+3H"	3.021828
"427627"	784.261023	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+NH4"	18.033823
"791540"	1167.374623	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+NH4"	18.033823
"1686412"	401.147423	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+NH4"	18.033823
"338337"	392.6341495	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+H+NH4"	19.041099
"732581"	584.1909495	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+H+NH4"	19.041099
"1489319"	201.0773495	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H+NH4"	19.041099
"405447"	789.216418	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+Na"	22.989218
"761701"	1172.330018	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+Na"	22.989218
"1613082"	406.102818	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Na"	22.989218
"315827"	395.111847	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+H+Na"	23.996494
"713369"	586.668647	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+H+Na"	23.996494
"1471563"	203.555047	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H+Na"	23.996494
"1064812"	136.039123333333	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2H+Na"	25.00377
"1268676"	416.147086	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+CH3OH+H"	33.033486
"385064"	805.190358	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+K"	38.963158
"744966"	1188.303958	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+K"	38.963158
"1547017"	422.076758	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+K"	38.963158
"301277"	403.098817	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+H+K"	39.970434
"696616"	594.655617	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+H+K"	39.970434
"1453717"	211.542017	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H+K"	39.970434
"248156"	808.261026	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+ACN+H"	42.033826
"1219406"	425.147426	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+ACN+H"	42.033826
"1208033"	213.077351	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+ACN+2H"	43.041102
"203823"	811.19836	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+2Na-H"	44.97116
"640827"	1194.31196	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+2Na-H"	44.97116
"1141415"	428.08476	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2Na-H"	44.97116
"178507"	406.102818	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+2Na"	45.978436
"619892"	597.659618	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+2Na"	45.978436
"1119386"	214.546018	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2Na"	45.978436
"1401091"	143.366437333333	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H+2Na"	46.985712
"1434666"	430.126346	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H+HCOOH"	47.012746
"224360"	411.13584	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+3H2O+2H"	56.04448
"1515704"	444.17839	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+IsoProp+H"	61.06479
"421225"	414.089788	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+Na+K"	61.952376
"774200"	605.646588	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+Na+K"	61.952376
"1671621"	222.532988	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Na+K"	61.952376
"255234"	830.242968	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+ACN+Na"	64.015768
"1231951"	447.129368	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+ACN+Na"	64.015768
"1716460"	447.152893	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+NH4+HCOOH"	64.039293
"1185093"	150.693751333333	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+3Na"	68.967654
"1654986"	452.108288	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Na+HCOOH"	68.994688
"160756"	843.14624	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+2K-H"	76.91904
"598492"	1226.25984	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+2K-H"	76.91904
"1086285"	460.03264	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2K-H"	76.91904
"144930"	422.076758	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"2M+2K"	77.926316
"583393"	613.633558	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"3M+2K"	77.926316
"1069604"	230.519958	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2K"	77.926316
"1102206"	462.047192	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2K+H"	78.933592
"1338589"	462.134807	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+DMSO+H"	79.021207
"1006757"	466.173976	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2ACN+H"	83.060376
"1526465"	467.167608	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+IsoProp+Na+H"	84.054008
"994981"	233.590626	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+2ACN+2H"	84.067652
"1591669"	468.082228	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+K+HCOOH"	84.968628
"1420614"	498.113738	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+H+CF3COOH"	115.000138
"1157466"	254.103901	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+3ACN+2H"	125.094202
"1697538"	515.140285	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+NH4+CF3COOH"	132.026685
"1637201"	520.09568	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+Na+CF3COOH"	136.98208
"1572852"	536.06962	"C10565"	"Acutumidine"	"C18H22ClNO6"	"383.1136"	"M+K+CF3COOH"	152.95602
"816342"	221.1528	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M"	0
"976753"	202.13441	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-H2O-H"	-19.01839
"74840"	146.427924	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M-3H"	-3.021828
"506744"	220.145524	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M-3H"	-3.021828
"887828"	72.710324	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-3H"	-3.021828
"11870"	220.145524	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M-2H"	-2.014552
"454711"	330.721924	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M-2H"	-2.014552
"824859"	109.569124	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-2H"	-2.014552
"83755"	441.298324	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M-H"	-1.007276
"525503"	662.451124	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M-H"	-1.007276
"905493"	220.145524	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-H"	-1.007276
"51483"	458.324871	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M-2H+NH4"	16.019271
"492866"	679.477671	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M-2H+NH4"	16.019271
"870667"	237.172071	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-2H+NH4"	16.019271
"35652"	463.280266	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M-2H+Na"	20.974666
"474847"	684.433066	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M-2H+Na"	20.974666
"851193"	242.127466	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-2H+Na"	20.974666
"1629844"	242.127466	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Na-2H"	20.974666
"106373"	238.133863	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M-H+Cl"	33.962126
"544842"	348.710263	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M-H+Cl"	33.962126
"937990"	127.557463	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-H+Cl"	33.962126
"274724"	477.275002	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+Cl"	34.969402
"663866"	698.427802	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+Cl"	34.969402
"1280641"	256.122202	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Cl"	34.969402
"21011"	479.254206	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M-2H+K"	36.948606
"459478"	700.407006	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M-2H+K"	36.948606
"835094"	258.101406	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-2H+K"	36.948606
"1559675"	258.101406	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+K-2H"	36.948606
"947561"	266.150994	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-H+HCOOH"	44.998194
"366871"	487.303801	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+HCOOH-H"	44.998201
"347474"	501.319451	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+Hac-H"	59.013851
"1499589"	280.166651	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Hac-H"	59.013851
"962754"	288.132951	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-H+NaCOOH"	66.980151
"117132"	256.122202	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+2Cl"	69.938804
"552685"	366.698602	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+2Cl"	69.938804
"1029866"	145.545802	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2Cl"	69.938804
"1247261"	300.071685	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Br"	78.918885
"1314084"	302.127672	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Cl+HCOOH"	80.974872
"1328299"	324.109629	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Cl+NaCOOH"	102.956829
"919358"	334.138386	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M-H+CF3COOH"	112.985586
"1296070"	370.115064	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Cl+CF3COOH"	148.962264
"1373136"	186.140124	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H-2H2O"	-35.012676
"1387351"	204.1501	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H-H2O"	-17.0027
"289224"	443.312876	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+H"	1.007276
"687112"	664.465676	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+H"	1.007276
"1362368"	222.160076	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H"	1.007276
"138537"	222.160076	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+2H"	2.014552
"572631"	332.736476	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+2H"	2.014552
"1038158"	111.583676	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2H"	2.014552
"207146"	148.442476	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+3H"	3.021828
"646707"	222.160076	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+3H"	3.021828
"1167019"	74.724876	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+3H"	3.021828
"427373"	460.339423	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+NH4"	18.033823
"789098"	681.492223	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+NH4"	18.033823
"1685062"	239.186623	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+NH4"	18.033823
"336258"	230.6733495	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+H+NH4"	19.041099
"733422"	341.2497495	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+H+NH4"	19.041099
"1490158"	120.0969495	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H+NH4"	19.041099
"403735"	465.294818	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+Na"	22.989218
"762904"	686.447618	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+Na"	22.989218
"1614284"	244.142018	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Na"	22.989218
"325414"	233.151047	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+H+Na"	23.996494
"712383"	343.727447	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+H+Na"	23.996494
"1464016"	122.574647	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H+Na"	23.996494
"1062734"	82.05219	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2H+Na"	25.00377
"1265505"	254.186286	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+CH3OH+H"	33.033486
"386268"	481.268758	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+K"	38.963158
"747261"	702.421558	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+K"	38.963158
"1549314"	260.115958	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+K"	38.963158
"305397"	241.138017	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+H+K"	39.970434
"696726"	351.714417	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+H+K"	39.970434
"1452734"	130.561617	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H+K"	39.970434
"247537"	484.339426	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+ACN+H"	42.033826
"1219516"	263.186626	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+ACN+H"	42.033826
"1208143"	132.096951	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+ACN+2H"	43.041102
"203651"	487.27676	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+2Na-H"	44.97116
"640937"	708.42956	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+2Na-H"	44.97116
"1144808"	266.12396	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2Na-H"	44.97116
"184813"	244.142018	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+2Na"	45.978436
"622189"	354.718418	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+2Na"	45.978436
"1122414"	133.565618	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2Na"	45.978436
"1401079"	89.379504	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H+2Na"	46.985712
"1434776"	268.165546	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H+HCOOH"	47.012746
"228845"	249.17504	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+3H2O+2H"	56.04448
"1515814"	282.21759	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+IsoProp+H"	61.06479
"417329"	252.128988	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+Na+K"	61.952376
"781966"	362.705388	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+Na+K"	61.952376
"1671735"	141.552588	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Na+K"	61.952376
"252913"	506.321368	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+ACN+Na"	64.015768
"1232061"	285.168568	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+ACN+Na"	64.015768
"1716570"	285.192093	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+NH4+HCOOH"	64.039293
"1182651"	96.706818	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+3Na"	68.967654
"1654003"	290.147488	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Na+HCOOH"	68.994688
"159773"	519.22464	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+2K-H"	76.91904
"598601"	740.37744	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+2K-H"	76.91904
"1085302"	298.07184	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2K-H"	76.91904
"146131"	260.115958	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"2M+2K"	77.926316
"582410"	370.692358	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"3M+2K"	77.926316
"1069108"	149.539558	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2K"	77.926316
"1101222"	300.086392	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2K+H"	78.933592
"1336516"	300.174007	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+DMSO+H"	79.021207
"1008324"	304.213176	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2ACN+H"	83.060376
"1524302"	305.206808	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+IsoProp+Na+H"	84.054008
"993998"	152.610226	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+2ACN+2H"	84.067652
"1590689"	306.121428	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+K+HCOOH"	84.968628
"1416349"	336.152938	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+H+CF3COOH"	115.000138
"1157576"	173.123501	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+3ACN+2H"	125.094202
"1700565"	353.179485	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+NH4+CF3COOH"	132.026685
"1637311"	358.13488	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+Na+CF3COOH"	136.98208
"1571869"	374.10882	"C10566"	"Alchorneine"	"C12H19N3O"	"221.1528"	"M+K+CF3COOH"	152.95602
"814266"	207.1372	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M"	0
"979051"	188.11881	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-H2O-H"	-19.01839
"72763"	137.084190666667	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M-3H"	-3.021828
"506854"	206.129924	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M-3H"	-3.021828
"886844"	68.0384573333333	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-3H"	-3.021828
"8700"	206.129924	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M-2H"	-2.014552
"450446"	309.698524	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M-2H"	-2.014552
"824969"	102.561324	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-2H"	-2.014552
"83136"	413.267124	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M-H"	-1.007276
"525613"	620.404324	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M-H"	-1.007276
"904509"	206.129924	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-H"	-1.007276
"54144"	430.293671	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M-2H+NH4"	16.019271
"492246"	637.430871	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M-2H+NH4"	16.019271
"870777"	223.156471	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-2H+NH4"	16.019271
"35762"	435.249066	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M-2H+Na"	20.974666
"473135"	642.386266	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M-2H+Na"	20.974666
"852397"	228.111866	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-2H+Na"	20.974666
"1627767"	228.111866	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Na-2H"	20.974666
"102110"	224.118263	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M-H+Cl"	33.962126
"542765"	327.686863	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M-H+Cl"	33.962126
"937371"	120.549663	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-H+Cl"	33.962126
"278116"	449.243802	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+Cl"	34.969402
"662885"	656.381002	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+Cl"	34.969402
"1280753"	242.106602	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Cl"	34.969402
"22214"	451.223006	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M-2H+K"	36.948606
"458130"	658.360206	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M-2H+K"	36.948606
"834109"	244.085806	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-2H+K"	36.948606
"1557599"	244.085806	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+K-2H"	36.948606
"947671"	252.135394	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-H+HCOOH"	44.998194
"363701"	459.272601	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+HCOOH-H"	44.998201
"346245"	473.288251	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+Hac-H"	59.013851
"1498606"	266.151051	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Hac-H"	59.013851
"965053"	274.117351	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-H+NaCOOH"	66.980151
"112505"	242.106602	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+2Cl"	69.938804
"554616"	345.675202	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+2Cl"	69.938804
"1029975"	138.538002	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2Cl"	69.938804
"1248465"	286.056085	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Br"	78.918885
"1310914"	288.112072	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Cl+HCOOH"	80.974872
"1324036"	310.094029	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Cl+NaCOOH"	102.956829
"919469"	320.122786	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M-H+CF3COOH"	112.985586
"1295086"	356.099464	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Cl+CF3COOH"	148.962264
"1373246"	172.124524	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H-2H2O"	-35.012676
"1388555"	190.1345	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H-H2O"	-17.0027
"288241"	415.281676	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+H"	1.007276
"689409"	622.418876	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+H"	1.007276
"1355187"	208.144476	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H"	1.007276
"138647"	208.144476	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+2H"	2.014552
"570553"	311.713076	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+2H"	2.014552
"1039359"	104.575876	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2H"	2.014552
"207619"	139.098742666667	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+3H"	3.021828
"649003"	208.144476	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+3H"	3.021828
"1166399"	70.0530093333333	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+3H"	3.021828
"426267"	432.308223	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+NH4"	18.033823
"791760"	639.445423	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+NH4"	18.033823
"1684080"	225.171023	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+NH4"	18.033823
"337099"	216.6577495	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+H+NH4"	19.041099
"737177"	320.2263495	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+H+NH4"	19.041099
"1489902"	113.0891495	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H+NH4"	19.041099
"404208"	437.263618	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+Na"	22.989218
"764107"	644.400818	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+Na"	22.989218
"1614395"	230.126418	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Na"	22.989218
"322243"	219.135447	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+H+Na"	23.996494
"710306"	322.704047	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+H+Na"	23.996494
"1463397"	115.566847	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H+Na"	23.996494
"1060655"	77.3803233333333	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2H+Na"	25.00377
"1264521"	240.170686	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+CH3OH+H"	33.033486
"385285"	453.237558	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+K"	38.963158
"746278"	660.374758	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+K"	38.963158
"1549424"	246.100358	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+K"	38.963158
"307694"	227.122417	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+H+K"	39.970434
"696836"	330.691017	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+H+K"	39.970434
"1452845"	123.553817	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H+K"	39.970434
"248378"	456.308226	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+ACN+H"	42.033826
"1222545"	249.171026	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+ACN+H"	42.033826
"1207159"	125.089151	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+ACN+2H"	43.041102
"197477"	459.24556	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+2Na-H"	44.97116
"638131"	666.38276	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+2Na-H"	44.97116
"1139447"	252.10836	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2Na-H"	44.97116
"179456"	230.126418	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+2Na"	45.978436
"619017"	333.695018	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+2Na"	45.978436
"1119245"	126.557818	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2Na"	45.978436
"1402401"	84.7076373333333	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H+2Na"	46.985712
"1434886"	254.149946	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H+HCOOH"	47.012746
"228955"	235.15944	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+3H2O+2H"	56.04448
"1514831"	268.20199	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+IsoProp+H"	61.06479
"419262"	238.113388	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+Na+K"	61.952376
"780617"	341.681988	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+Na+K"	61.952376
"1670752"	134.544788	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Na+K"	61.952376
"255454"	478.290168	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+ACN+Na"	64.015768
"1232171"	271.152968	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+ACN+Na"	64.015768
"1716681"	271.176493	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+NH4+HCOOH"	64.039293
"1182397"	92.0349513333333	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+3Na"	68.967654
"1654113"	276.131888	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Na+HCOOH"	68.994688
"158790"	491.19344	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+2K-H"	76.91904
"600535"	698.33064	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+2K-H"	76.91904
"1085412"	284.05624	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2K-H"	76.91904
"146605"	246.100358	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"2M+2K"	77.926316
"585801"	349.668958	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"3M+2K"	77.926316
"1070312"	142.531758	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2K"	77.926316
"1101334"	286.070792	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2K+H"	78.933592
"1337719"	286.158407	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+DMSO+H"	79.021207
"1008434"	290.197576	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2ACN+H"	83.060376
"1525468"	291.191208	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+IsoProp+Na+H"	84.054008
"992277"	145.602426	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+2ACN+2H"	84.067652
"1591892"	292.105828	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+K+HCOOH"	84.968628
"1415365"	322.137338	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+H+CF3COOH"	115.000138
"1155499"	166.115701	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+3ACN+2H"	125.094202
"1700675"	339.163885	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+NH4+CF3COOH"	132.026685
"1637421"	344.11928	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+Na+CF3COOH"	136.98208
"1572343"	360.09322	"C10567"	"Alchornine"	"C11H17N3O"	"207.1372"	"M+K+CF3COOH"	152.95602
"808907"	253.1215	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M"	0
"979161"	234.10311	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-H2O-H"	-19.01839
"72873"	167.740390666667	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M-3H"	-3.021828
"506964"	252.114224	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M-3H"	-3.021828
"886954"	83.3665573333333	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-3H"	-3.021828
"5530"	252.114224	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M-2H"	-2.014552
"447276"	378.674974	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M-2H"	-2.014552
"821799"	125.553474	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-2H"	-2.014552
"80326"	505.235724	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M-H"	-1.007276
"522443"	758.357224	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M-H"	-1.007276
"901339"	252.114224	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-H"	-1.007276
"48787"	522.262271	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M-2H+NH4"	16.019271
"489076"	775.383771	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M-2H+NH4"	16.019271
"867971"	269.140771	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-2H+NH4"	16.019271
"36601"	527.217666	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M-2H+Na"	20.974666
"472636"	780.339166	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M-2H+Na"	20.974666
"853236"	274.096166	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-2H+Na"	20.974666
"1619852"	274.096166	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Na-2H"	20.974666
"95654"	270.102563	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M-H+Cl"	33.962126
"545061"	396.663313	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M-H+Cl"	33.962126
"935293"	143.541813	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-H+Cl"	33.962126
"276039"	541.212402	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+Cl"	34.969402
"661901"	794.333902	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+Cl"	34.969402
"1283049"	288.090902	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Cl"	34.969402
"22324"	543.191606	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M-2H+K"	36.948606
"458605"	796.313106	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M-2H+K"	36.948606
"833487"	290.070106	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-2H+K"	36.948606
"1557708"	290.070106	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+K-2H"	36.948606
"948874"	298.119694	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-H+HCOOH"	44.998194
"363811"	551.241201	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+HCOOH-H"	44.998201
"348785"	565.256851	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+Hac-H"	59.013851
"1496528"	312.135351	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Hac-H"	59.013851
"965163"	320.101651	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-H+NaCOOH"	66.980151
"112978"	288.090902	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+2Cl"	69.938804
"559102"	414.651652	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+2Cl"	69.938804
"1035553"	161.530152	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2Cl"	69.938804
"1250759"	332.040385	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Br"	78.918885
"1311021"	334.096372	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Cl+HCOOH"	80.974872
"1320622"	356.078329	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Cl+NaCOOH"	102.956829
"915204"	366.107086	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M-H+CF3COOH"	112.985586
"1294103"	402.083764	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Cl+CF3COOH"	148.962264
"1372263"	218.108824	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H-2H2O"	-35.012676
"1387571"	236.1188	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H-H2O"	-17.0027
"287258"	507.250276	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+H"	1.007276
"686239"	760.371776	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+H"	1.007276
"1354934"	254.128776	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H"	1.007276
"132196"	254.128776	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+2H"	2.014552
"571757"	380.689526	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+2H"	2.014552
"1039105"	127.568026	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2H"	2.014552
"205179"	169.754942666667	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+3H"	3.021828
"647655"	254.128776	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+3H"	3.021828
"1166145"	85.3811093333333	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+3H"	3.021828
"425041"	524.276823	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+NH4"	18.033823
"791870"	777.398323	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+NH4"	18.033823
"1684920"	271.155323	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+NH4"	18.033823
"336116"	262.6420495	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+H+NH4"	19.041099
"735099"	389.2027995	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+H+NH4"	19.041099
"1486732"	136.0812995	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H+NH4"	19.041099
"403224"	529.232218	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+Na"	22.989218
"762031"	782.353718	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+Na"	22.989218
"1612317"	276.110718	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Na"	22.989218
"321261"	265.119747	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+H+Na"	23.996494
"710416"	391.680497	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+H+Na"	23.996494
"1461920"	138.558997	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H+Na"	23.996494
"1058578"	92.7084233333333	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2H+Na"	25.00377
"1265724"	286.154986	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+CH3OH+H"	33.033486
"385394"	545.206158	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+K"	38.963158
"744201"	798.327658	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+K"	38.963158
"1547347"	292.084658	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+K"	38.963158
"303429"	273.106717	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+H+K"	39.970434
"696947"	399.667467	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+H+K"	39.970434
"1450766"	146.545967	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H+K"	39.970434
"245569"	548.276826	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+ACN+H"	42.033826
"1221926"	295.155326	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+ACN+H"	42.033826
"1206904"	148.081301	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+ACN+2H"	43.041102
"197587"	551.21416	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+2Na-H"	44.97116
"634961"	804.33566	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+2Na-H"	44.97116
"1138464"	298.09266	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2Na-H"	44.97116
"176650"	276.110718	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+2Na"	45.978436
"619127"	402.671468	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+2Na"	45.978436
"1120448"	149.549968	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2Na"	45.978436
"1401785"	100.035737333333	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H+2Na"	46.985712
"1434996"	300.134246	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H+HCOOH"	47.012746
"229065"	281.14374	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+3H2O+2H"	56.04448
"1516034"	314.18629	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+IsoProp+H"	61.06479
"420828"	284.097688	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+Na+K"	61.952376
"781091"	410.658438	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+Na+K"	61.952376
"1673048"	157.536938	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Na+K"	61.952376
"257384"	570.258768	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+ACN+Na"	64.015768
"1230093"	317.137268	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+ACN+Na"	64.015768
"1717154"	317.160793	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+NH4+HCOOH"	64.039293
"1183598"	107.363051333333	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+3Na"	68.967654
"1653129"	322.116188	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Na+HCOOH"	68.994688
"159993"	583.16204	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+2K-H"	76.91904
"600645"	836.28354	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+2K-H"	76.91904
"1085158"	330.04054	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2K-H"	76.91904
"146351"	292.084658	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"2M+2K"	77.926316
"583725"	418.645408	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"3M+2K"	77.926316
"1068679"	165.523908	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2K"	77.926316
"1100835"	332.055092	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2K+H"	78.933592
"1336369"	332.142707	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+DMSO+H"	79.021207
"1008544"	336.181876	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2ACN+H"	83.060376
"1525454"	337.175508	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+IsoProp+Na+H"	84.054008
"992023"	168.594576	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+2ACN+2H"	84.067652
"1592002"	338.090128	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+K+HCOOH"	84.968628
"1416568"	368.121638	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+H+CF3COOH"	115.000138
"1155609"	189.107851	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+3ACN+2H"	125.094202
"1699692"	385.148185	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+NH4+CF3COOH"	132.026685
"1637531"	390.10358	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+Na+CF3COOH"	136.98208
"1572453"	406.07752	"C10568"	"Anantine"	"C15H15N3O"	"253.1215"	"M+K+CF3COOH"	152.95602
"809017"	371.1733	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M"	0
"979271"	352.15491	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-H2O-H"	-19.01839
"74076"	246.441590666667	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M-3H"	-3.021828
"507074"	370.166024	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M-3H"	-3.021828
"885971"	122.717157333333	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-3H"	-3.021828
"5640"	370.166024	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M-2H"	-2.014552
"446293"	555.752674	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M-2H"	-2.014552
"825190"	184.579374	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-2H"	-2.014552
"81170"	741.339324	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M-H"	-1.007276
"522918"	1112.512624	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M-H"	-1.007276
"903637"	370.166024	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-H"	-1.007276
"53637"	758.365871	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M-2H+NH4"	16.019271
"491738"	1129.539171	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M-2H+NH4"	16.019271
"866623"	387.192571	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-2H+NH4"	16.019271
"36711"	763.321266	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M-2H+Na"	20.974666
"473475"	1134.494566	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M-2H+Na"	20.974666
"852616"	392.147966	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-2H+Na"	20.974666
"1620327"	392.147966	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Na-2H"	20.974666
"96492"	388.154363	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M-H+Cl"	33.962126
"546264"	573.741013	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M-H+Cl"	33.962126
"932123"	202.567713	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-H+Cl"	33.962126
"276149"	777.316002	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+Cl"	34.969402
"666384"	1148.489302	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+Cl"	34.969402
"1283161"	406.142702	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Cl"	34.969402
"23531"	779.295206	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M-2H+K"	36.948606
"460902"	1150.468506	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M-2H+K"	36.948606
"834082"	408.121906	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-2H+K"	36.948606
"1557818"	408.121906	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+K-2H"	36.948606
"948985"	416.171494	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-H+HCOOH"	44.998194
"365014"	787.344801	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+HCOOH-H"	44.998201
"349990"	801.360451	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+Hac-H"	59.013851
"1495543"	430.187151	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Hac-H"	59.013851
"961992"	438.153451	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-H+NaCOOH"	66.980151
"113816"	406.142702	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+2Cl"	69.938804
"553744"	591.729352	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+2Cl"	69.938804
"1033476"	220.556052	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2Cl"	69.938804
"1255974"	450.092185	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Br"	78.918885
"1306392"	452.148172	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Cl+HCOOH"	80.974872
"1320977"	474.130129	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Cl+NaCOOH"	102.956829
"915314"	484.158886	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M-H+CF3COOH"	112.985586
"1289473"	520.135564	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Cl+CF3COOH"	148.962264
"1368363"	336.160624	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H-2H2O"	-35.012676
"1386586"	354.1706	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H-H2O"	-17.0027
"286273"	743.353876	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+H"	1.007276
"679788"	1114.527176	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+H"	1.007276
"1355406"	372.180576	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H"	1.007276
"131212"	372.180576	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+2H"	2.014552
"568585"	557.767226	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+2H"	2.014552
"1038607"	186.593926	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2H"	2.014552
"204924"	248.456142666667	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+3H"	3.021828
"644321"	372.180576	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+3H"	3.021828
"1165527"	124.731709333333	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+3H"	3.021828
"425271"	760.380423	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+NH4"	18.033823
"787604"	1131.553723	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+NH4"	18.033823
"1681867"	389.207123	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+NH4"	18.033823
"333308"	380.6938495	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+H+NH4"	19.041099
"728647"	566.2804995	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+H+NH4"	19.041099
"1485747"	195.1071995	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H+NH4"	19.041099
"398958"	765.335818	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+Na"	22.989218
"763237"	1136.509118	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+Na"	22.989218
"1609146"	394.162518	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Na"	22.989218
"321371"	383.171547	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+H+Na"	23.996494
"709797"	568.758197	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+H+Na"	23.996494
"1462033"	197.584897	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H+Na"	23.996494
"1058688"	132.059023333333	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2H+Na"	25.00377
"1260367"	404.206786	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+CH3OH+H"	33.033486
"382225"	781.309758	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+K"	38.963158
"743218"	1152.483058	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+K"	38.963158
"1547457"	410.136458	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+K"	38.963158
"300620"	391.158517	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+H+K"	39.970434
"698153"	576.745167	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+H+K"	39.970434
"1449783"	205.571867	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H+K"	39.970434
"249326"	784.380426	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+ACN+H"	42.033826
"1225365"	413.207126	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+ACN+H"	42.033826
"1208476"	207.107201	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+ACN+2H"	43.041102
"199884"	787.31776	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+2Na-H"	44.97116
"640537"	1158.49106	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+2Na-H"	44.97116
"1139667"	416.14446	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2Na-H"	44.97116
"186239"	394.162518	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+2Na"	45.978436
"622517"	579.749168	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+2Na"	45.978436
"1119825"	208.575868	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2Na"	45.978436
"1402988"	139.386337333333	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H+2Na"	46.985712
"1436199"	418.186046	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H+HCOOH"	47.012746
"228082"	399.19554	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+3H2O+2H"	56.04448
"1513957"	432.23809	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+IsoProp+H"	61.06479
"421304"	402.149488	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+Na+K"	61.952376
"777921"	587.736138	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+Na+K"	61.952376
"1673158"	216.562838	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Na+K"	61.952376
"258588"	806.362368	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+ACN+Na"	64.015768
"1232390"	435.189068	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+ACN+Na"	64.015768
"1716900"	435.212593	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+NH4+HCOOH"	64.039293
"1184437"	146.713651333333	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+3Na"	68.967654
"1653240"	440.167988	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Na+HCOOH"	68.994688
"160103"	819.26564	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+2K-H"	76.91904
"599663"	1190.43894	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+2K-H"	76.91904
"1087455"	448.09234	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2K-H"	76.91904
"144277"	410.136458	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"2M+2K"	77.926316
"584929"	595.723108	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"3M+2K"	77.926316
"1070533"	224.549808	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2K"	77.926316
"1101554"	450.106892	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2K+H"	78.933592
"1336601"	450.194507	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+DMSO+H"	79.021207
"1007561"	454.233676	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2ACN+H"	83.060376
"1525323"	455.227308	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+IsoProp+Na+H"	84.054008
"990675"	227.620476	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+2ACN+2H"	84.067652
"1591019"	456.141928	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+K+HCOOH"	84.968628
"1417772"	486.173438	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+H+CF3COOH"	115.000138
"1161796"	248.133751	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+3ACN+2H"	125.094202
"1709644"	503.199985	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+NH4+CF3COOH"	132.026685
"1644202"	508.15538	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+Na+CF3COOH"	136.98208
"1573292"	524.12932	"C10569"	"Androcymbine"	"C21H25NO5"	"371.1733"	"M+K+CF3COOH"	152.95602
"815567"	337.1314	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M"	0
"985942"	318.11301	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-H2O-H"	-19.01839
"74187"	223.746990666667	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M-3H"	-3.021828
"512652"	336.124124	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M-3H"	-3.021828
"886082"	111.369857333333	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-3H"	-3.021828
"6843"	336.124124	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M-2H"	-2.014552
"445309"	504.689824	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M-2H"	-2.014552
"828580"	167.558424	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-2H"	-2.014552
"81280"	673.255524	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M-H"	-1.007276
"522299"	1010.386924	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M-H"	-1.007276
"904840"	336.124124	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-H"	-1.007276
"52288"	690.282071	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M-2H+NH4"	16.019271
"491848"	1027.413471	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M-2H+NH4"	16.019271
"867826"	353.150671	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-2H+NH4"	16.019271
"36822"	695.237466	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M-2H+Na"	20.974666
"473707"	1032.368866	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M-2H+Na"	20.974666
"851634"	358.106066	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-2H+Na"	20.974666
"1619465"	358.106066	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Na-2H"	20.974666
"95871"	354.112463	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M-H+Cl"	33.962126
"544184"	522.678163	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M-H+Cl"	33.962126
"932233"	185.546763	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-H+Cl"	33.962126
"279539"	709.232202	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+Cl"	34.969402
"667587"	1046.363602	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+Cl"	34.969402
"1277072"	372.100802	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Cl"	34.969402
"17933"	711.211406	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M-2H+K"	36.948606
"458096"	1048.342806	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M-2H+K"	36.948606
"833711"	374.080006	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-2H+K"	36.948606
"1563399"	374.080006	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+K-2H"	36.948606
"945815"	382.129594	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-H+HCOOH"	44.998194
"368402"	719.261001	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+HCOOH-H"	44.998201
"347187"	733.276651	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+Hac-H"	59.013851
"1497477"	396.145251	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Hac-H"	59.013851
"963561"	404.111551	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-H+NaCOOH"	66.980151
"112833"	372.100802	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+2Cl"	69.938804
"553488"	540.666502	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+2Cl"	69.938804
"1026296"	203.535102	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2Cl"	69.938804
"1247697"	416.050285	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Br"	78.918885
"1309054"	418.106272	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Cl+HCOOH"	80.974872
"1323634"	440.088229	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Cl+NaCOOH"	102.956829
"914330"	450.116986	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M-H+CF3COOH"	112.985586
"1294323"	486.093664	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Cl+CF3COOH"	148.962264
"1372484"	302.118724	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H-2H2O"	-35.012676
"1386699"	320.1287	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H-H2O"	-17.0027
"286020"	675.270076	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+H"	1.007276
"680994"	1012.401476	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+H"	1.007276
"1357341"	338.138676	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H"	1.007276
"132418"	338.138676	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+2H"	2.014552
"569791"	506.704376	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+2H"	2.014552
"1039689"	169.572976	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2H"	2.014552
"206859"	225.761542666667	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+3H"	3.021828
"646054"	338.138676	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+3H"	3.021828
"1164055"	113.384409333333	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+3H"	3.021828
"425263"	692.296623	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+NH4"	18.033823
"789903"	1029.428023	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+NH4"	18.033823
"1684409"	355.165223	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+NH4"	18.033823
"334148"	346.6519495	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+H+NH4"	19.041099
"725837"	515.2176495	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+H+NH4"	19.041099
"1480023"	178.0862495	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H+NH4"	19.041099
"394696"	697.252018	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+Na"	22.989218
"762255"	1034.383418	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+Na"	22.989218
"1612537"	360.120618	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Na"	22.989218
"324762"	349.129647	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+H+Na"	23.996494
"707949"	517.695347	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+H+Na"	23.996494
"1461898"	180.563947	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H+Na"	23.996494
"1058798"	120.711723333333	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2H+Na"	25.00377
"1258162"	370.164886	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+CH3OH+H"	33.033486
"385614"	713.225958	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+K"	38.963158
"744421"	1050.357358	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+K"	38.963158
"1541368"	376.094558	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+K"	38.963158
"301458"	357.116617	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+H+K"	39.970434
"697167"	525.682317	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+H+K"	39.970434
"1449893"	188.550917	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H+K"	39.970434
"246153"	716.296626	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+ACN+H"	42.033826
"1223239"	379.165226	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+ACN+H"	42.033826
"1208219"	190.086251	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+ACN+2H"	43.041102
"203642"	719.23396	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+2Na-H"	44.97116
"640648"	1056.36536	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+2Na-H"	44.97116
"1144151"	382.10256	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2Na-H"	44.97116
"185252"	360.120618	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+2Na"	45.978436
"618980"	528.686318	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+2Na"	45.978436
"1121758"	191.554918	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2Na"	45.978436
"1403098"	128.039037333333	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H+2Na"	46.985712
"1433027"	384.144146	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H+HCOOH"	47.012746
"228192"	365.15364	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+3H2O+2H"	56.04448
"1516253"	398.19619	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+IsoProp+H"	61.06479
"419226"	368.107588	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+Na+K"	61.952376
"778031"	536.673288	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+Na+K"	61.952376
"1671080"	199.541888	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Na+K"	61.952376
"259792"	738.278568	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+ACN+Na"	64.015768
"1234683"	401.147168	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+ACN+Na"	64.015768
"1718103"	401.170693	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+NH4+HCOOH"	64.039293
"1182364"	135.366351333333	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+3Na"	68.967654
"1652253"	406.126088	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Na+HCOOH"	68.994688
"161306"	751.18184	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+2K-H"	76.91904
"603053"	1088.31324	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+2K-H"	76.91904
"1088659"	414.05044	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2K-H"	76.91904
"146573"	376.094558	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"2M+2K"	77.926316
"589413"	544.660258	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"3M+2K"	77.926316
"1070764"	207.528858	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2K"	77.926316
"1101906"	416.064992	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2K+H"	78.933592
"1338050"	416.152607	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+DMSO+H"	79.021207
"1010954"	420.191776	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2ACN+H"	83.060376
"1527984"	421.185408	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+IsoProp+Na+H"	84.054008
"992244"	210.599526	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+2ACN+2H"	84.067652
"1594408"	422.100028	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+K+HCOOH"	84.968628
"1418978"	452.131538	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+H+CF3COOH"	115.000138
"1149265"	231.112801	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+3ACN+2H"	125.094202
"1708661"	469.158085	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+NH4+CF3COOH"	132.026685
"1644312"	474.11348	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+Na+CF3COOH"	136.98208
"1573402"	490.08742	"C10570"	"Annuloline"	"C20H19NO4"	"337.1314"	"M+K+CF3COOH"	152.95602
"809237"	224.1525	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M"	0
"976209"	205.13411	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-H2O-H"	-19.01839
"68828"	148.427724	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M-3H"	-3.021828
"508387"	223.145224	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M-3H"	-3.021828
"884005"	73.710224	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-3H"	-3.021828
"512"	223.145224	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M-2H"	-2.014552
"445419"	335.221474	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M-2H"	-2.014552
"826504"	111.068974	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-2H"	-2.014552
"81026"	447.297724	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M-H"	-1.007276
"522044"	671.450224	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M-H"	-1.007276
"906045"	223.145224	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-H"	-1.007276
"52765"	464.324271	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M-2H+NH4"	16.019271
"491959"	688.476771	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M-2H+NH4"	16.019271
"868303"	240.171771	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-2H+NH4"	16.019271
"34017"	469.279666	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M-2H+Na"	20.974666
"471785"	693.432166	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M-2H+Na"	20.974666
"849312"	245.127166	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-2H+Na"	20.974666
"1623831"	245.127166	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Na-2H"	20.974666
"103643"	241.133563	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M-H+Cl"	33.962126
"545392"	353.209813	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M-H+Cl"	33.962126
"935623"	129.057313	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-H+Cl"	33.962126
"276370"	483.274402	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+Cl"	34.969402
"669885"	707.426902	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+Cl"	34.969402
"1282288"	259.121902	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Cl"	34.969402
"21563"	485.253606	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M-2H+K"	36.948606
"457111"	709.406106	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M-2H+K"	36.948606
"838929"	261.101106	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-2H+K"	36.948606
"1556704"	261.101106	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+K-2H"	36.948606
"948109"	269.150694	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-H+HCOOH"	44.998194
"364139"	493.303201	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+HCOOH-H"	44.998201
"347296"	507.318851	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+Hac-H"	59.013851
"1496128"	283.166351	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Hac-H"	59.013851
"961483"	291.132651	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-H+NaCOOH"	66.980151
"111118"	259.121902	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+2Cl"	69.938804
"552139"	371.198152	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+2Cl"	69.938804
"1023491"	147.045652	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2Cl"	69.938804
"1244527"	303.071385	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Br"	78.918885
"1304790"	305.127372	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Cl+HCOOH"	80.974872
"1324473"	327.109329	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Cl+NaCOOH"	102.956829
"913344"	337.138086	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M-H+CF3COOH"	112.985586
"1289695"	373.114764	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Cl+CF3COOH"	148.962264
"1367730"	189.139824	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H-2H2O"	-35.012676
"1385716"	207.1498	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H-H2O"	-17.0027
"284671"	449.312276	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+H"	1.007276
"677821"	673.464776	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+H"	1.007276
"1353076"	225.159776	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H"	1.007276
"127423"	225.159776	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+2H"	2.014552
"566621"	337.236026	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+2H"	2.014552
"1039193"	113.083526	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2H"	2.014552
"206972"	150.442276	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+3H"	3.021828
"646531"	225.159776	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+3H"	3.021828
"1163196"	75.724776	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+3H"	3.021828
"424643"	466.338823	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+NH4"	18.033823
"786366"	690.491323	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+NH4"	18.033823
"1683792"	242.186323	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+NH4"	18.033823
"333164"	233.6730495	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+H+NH4"	19.041099
"731053"	345.7492995	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+H+NH4"	19.041099
"1483780"	121.5967995	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H+NH4"	19.041099
"401367"	471.294218	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+Na"	22.989218
"762365"	695.446718	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+Na"	22.989218
"1611557"	247.141718	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Na"	22.989218
"324872"	236.150747	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+H+Na"	23.996494
"708912"	348.226997	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+H+Na"	23.996494
"1461479"	124.074497	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H+Na"	23.996494
"1054896"	83.05209	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2H+Na"	25.00377
"1257143"	257.185986	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+CH3OH+H"	33.033486
"379162"	487.268158	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+K"	38.963158
"744531"	711.420658	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+K"	38.963158
"1540506"	263.115658	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+K"	38.963158
"299138"	244.137717	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+H+K"	39.970434
"697641"	356.213967	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+H+K"	39.970434
"1450003"	132.061467	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H+K"	39.970434
"246262"	490.338826	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+ACN+H"	42.033826
"1222256"	266.186326	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+ACN+H"	42.033826
"1205049"	133.596801	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+ACN+2H"	43.041102
"203385"	493.27616	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+2Na-H"	44.97116
"644097"	717.42866	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+2Na-H"	44.97116
"1143170"	269.12366	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2Na-H"	44.97116
"178803"	247.141718	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+2Na"	45.978436
"622737"	359.217968	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+2Na"	45.978436
"1119680"	135.065468	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2Na"	45.978436
"1402114"	90.379404	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H+2Na"	46.985712
"1432044"	271.165246	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H+HCOOH"	47.012746
"228302"	252.17474	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+3H2O+2H"	56.04448
"1515270"	285.21729	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+IsoProp+H"	61.06479
"420428"	255.128688	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+Na+K"	61.952376
"778142"	367.204938	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+Na+K"	61.952376
"1671190"	143.052438	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Na+K"	61.952376
"257715"	512.320768	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+ACN+Na"	64.015768
"1233702"	288.168268	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+ACN+Na"	64.015768
"1718211"	288.191793	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+NH4+HCOOH"	64.039293
"1187942"	97.706718	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+3Na"	68.967654
"1650902"	293.147188	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Na+HCOOH"	68.994688
"161416"	525.22404	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+2K-H"	76.91904
"603163"	749.37654	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+2K-H"	76.91904
"1085489"	301.07154	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2K-H"	76.91904
"148869"	263.115658	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"2M+2K"	77.926316
"589523"	375.191908	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"3M+2K"	77.926316
"1071846"	151.039408	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2K"	77.926316
"1101896"	303.086092	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2K+H"	78.933592
"1338160"	303.173707	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+DMSO+H"	79.021207
"1011064"	307.212876	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2ACN+H"	83.060376
"1529189"	308.206508	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+IsoProp+Na+H"	84.054008
"994542"	154.110076	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+2ACN+2H"	84.067652
"1593425"	309.121128	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+K+HCOOH"	84.968628
"1419088"	339.152638	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+H+CF3COOH"	115.000138
"1148282"	174.623351	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+3ACN+2H"	125.094202
"1698558"	356.179185	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+NH4+CF3COOH"	132.026685
"1644422"	361.13458	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+Na+CF3COOH"	136.98208
"1573512"	377.10852	"C10571"	"Aspergillic acid"	"C12H20N2O2"	"224.1525"	"M+K+CF3COOH"	152.95602
"812627"	281.1052	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M"	0
"976319"	262.08681	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-H2O-H"	-19.01839
"72218"	186.396190666667	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M-3H"	-3.021828
"507404"	280.097924	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M-3H"	-3.021828
"889582"	92.6944573333333	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-3H"	-3.021828
"2688"	280.097924	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M-2H"	-2.014552
"445529"	420.650524	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M-2H"	-2.014552
"826614"	139.545324	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-2H"	-2.014552
"82593"	561.203124	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M-H"	-1.007276
"522884"	842.308324	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M-H"	-1.007276
"903969"	280.097924	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-H"	-1.007276
"48498"	578.229671	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M-2H+NH4"	16.019271
"489881"	859.334871	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M-2H+NH4"	16.019271
"868412"	297.124471	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-2H+NH4"	16.019271
"34127"	583.185066	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M-2H+Na"	20.974666
"472345"	864.290266	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M-2H+Na"	20.974666
"850028"	302.079866	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-2H+Na"	20.974666
"1623941"	302.079866	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Na-2H"	20.974666
"100472"	298.086263	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M-H+Cl"	33.962126
"546594"	438.638863	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M-H+Cl"	33.962126
"935732"	157.533663	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-H+Cl"	33.962126
"276480"	597.179802	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+Cl"	34.969402
"668902"	878.285002	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+Cl"	34.969402
"1279119"	316.074602	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Cl"	34.969402
"21674"	599.159006	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M-2H+K"	36.948606
"456493"	880.264206	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M-2H+K"	36.948606
"839039"	318.053806	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-2H+K"	36.948606
"1558514"	318.053806	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+K-2H"	36.948606
"948220"	326.103394	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-H+HCOOH"	44.998194
"365342"	607.208601	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+HCOOH-H"	44.998201
"348134"	621.224251	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+Hac-H"	59.013851
"1495144"	340.119051	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Hac-H"	59.013851
"964508"	348.085351	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-H+NaCOOH"	66.980151
"110866"	316.074602	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+2Cl"	69.938804
"552976"	456.627202	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+2Cl"	69.938804
"1025055"	175.522002	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2Cl"	69.938804
"1244636"	360.024085	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Br"	78.918885
"1305260"	362.080072	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Cl+HCOOH"	80.974872
"1321301"	384.062029	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Cl+NaCOOH"	102.956829
"914546"	394.090786	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M-H+CF3COOH"	112.985586
"1289319"	430.067464	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Cl+CF3COOH"	148.962264
"1367189"	246.092524	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H-2H2O"	-35.012676
"1385826"	264.1025	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H-H2O"	-17.0027
"283445"	563.217676	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+H"	1.007276
"677203"	844.322876	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+H"	1.007276
"1351731"	282.112476	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H"	1.007276
"125785"	282.112476	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+2H"	2.014552
"567461"	422.665076	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+2H"	2.014552
"1039183"	141.559876	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2H"	2.014552
"206718"	188.410742666667	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+3H"	3.021828
"647006"	282.112476	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+3H"	3.021828
"1163670"	94.7090093333334	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+3H"	3.021828
"424751"	580.244223	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+NH4"	18.033823
"786477"	861.349423	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+NH4"	18.033823
"1683171"	299.139023	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+NH4"	18.033823
"335461"	290.6257495	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+H+NH4"	19.041099
"732259"	431.1783495	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+H+NH4"	19.041099
"1483890"	150.0731495	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H+NH4"	19.041099
"400385"	585.199618	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+Na"	22.989218
"762473"	866.304818	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+Na"	22.989218
"1610572"	304.094418	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Na"	22.989218
"322795"	293.103447	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+H+Na"	23.996494
"708657"	433.656047	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+H+Na"	23.996494
"1461800"	152.550847	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H+Na"	23.996494
"1053344"	102.036323333333	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2H+Na"	25.00377
"1257411"	314.138686	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+CH3OH+H"	33.033486
"379636"	601.173558	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+K"	38.963158
"738763"	882.278758	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+K"	38.963158
"1540859"	320.068358	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+K"	38.963158
"298964"	301.090417	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+H+K"	39.970434
"693740"	441.643017	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+H+K"	39.970434
"1450113"	160.537817	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H+K"	39.970434
"249532"	604.244226	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+ACN+H"	42.033826
"1224552"	323.139026	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+ACN+H"	42.033826
"1206251"	162.073151	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+ACN+2H"	43.041102
"198027"	607.18156	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+2Na-H"	44.97116
"640868"	888.28676	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+2Na-H"	44.97116
"1141093"	326.07636	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2Na-H"	44.97116
"182193"	304.094418	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+2Na"	45.978436
"622847"	444.647018	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+2Na"	45.978436
"1119425"	163.541818	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2Na"	45.978436
"1402224"	109.363637333333	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H+2Na"	46.985712
"1432154"	328.117946	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H+HCOOH"	47.012746
"226223"	309.12744	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+3H2O+2H"	56.04448
"1512097"	342.16999	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+IsoProp+H"	61.06479
"420538"	312.081388	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+Na+K"	61.952376
"779348"	452.633988	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+Na+K"	61.952376
"1674582"	171.528788	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Na+K"	61.952376
"256728"	626.226168	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+ACN+Na"	64.015768
"1231625"	345.120968	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+ACN+Na"	64.015768
"1717228"	345.144493	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+NH4+HCOOH"	64.039293
"1186958"	116.690951333333	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+3Na"	68.967654
"1651746"	350.099888	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Na+HCOOH"	68.994688
"161526"	639.12944	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+2K-H"	76.91904
"603273"	920.23464	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+2K-H"	76.91904
"1085599"	358.02424	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2K-H"	76.91904
"150072"	320.068358	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"2M+2K"	77.926316
"587446"	460.620958	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"3M+2K"	77.926316
"1073049"	179.515758	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2K"	77.926316
"1102978"	360.038792	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2K+H"	78.933592
"1338634"	360.126407	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+DMSO+H"	79.021207
"1011174"	364.165576	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2ACN+H"	83.060376
"1527477"	365.159208	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+IsoProp+Na+H"	84.054008
"994653"	182.586426	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+2ACN+2H"	84.067652
"1593534"	366.073828	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+K+HCOOH"	84.968628
"1420291"	396.105338	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+H+CF3COOH"	115.000138
"1148392"	203.099701	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+3ACN+2H"	125.094202
"1699035"	413.131885	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+NH4+CF3COOH"	132.026685
"1641252"	418.08728	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+Na+CF3COOH"	136.98208
"1573622"	434.06122	"C10572"	"Balsoxine;2-Phenyl-5-(34-dimethoxyphenyl)oxazole"	"C17H15NO3"	"281.1052"	"M+K+CF3COOH"	152.95602
"809457"	346.2157	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M"	0
"977522"	327.19731	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-H2O-H"	-19.01839
"72328"	229.803190666667	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M-3H"	-3.021828
"506421"	345.208424	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M-3H"	-3.021828
"889692"	114.397957333333	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-3H"	-3.021828
"1705"	345.208424	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M-2H"	-2.014552
"444546"	518.316274	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M-2H"	-2.014552
"826724"	172.100574	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-2H"	-2.014552
"82703"	691.424124	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M-H"	-1.007276
"524087"	1037.639824	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M-H"	-1.007276
"902985"	345.208424	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-H"	-1.007276
"48608"	708.450671	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M-2H+NH4"	16.019271
"489626"	1054.666371	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M-2H+NH4"	16.019271
"871438"	362.234971	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-2H+NH4"	16.019271
"33871"	713.406066	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M-2H+Na"	20.974666
"472334"	1059.621766	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M-2H+Na"	20.974666
"849408"	367.190366	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-2H+Na"	20.974666
"1619311"	367.190366	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Na-2H"	20.974666
"97300"	363.196763	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M-H+Cl"	33.962126
"535767"	536.304613	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M-H+Cl"	33.962126
"928552"	190.088913	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-H+Cl"	33.962126
"276590"	727.400802	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+Cl"	34.969402
"666825"	1073.616502	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+Cl"	34.969402
"1278135"	381.185102	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Cl"	34.969402
"20690"	729.380006	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M-2H+K"	36.948606
"456967"	1075.595706	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M-2H+K"	36.948606
"834044"	383.164306	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-2H+K"	36.948606
"1556680"	383.164306	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+K-2H"	36.948606
"949422"	391.213894	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-H+HCOOH"	44.998194
"364356"	737.429601	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+HCOOH-H"	44.998201
"349337"	751.445251	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+Hac-H"	59.013851
"1493550"	405.229551	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Hac-H"	59.013851
"959635"	413.195851	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-H+NaCOOH"	66.980151
"111096"	381.185102	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+2Cl"	69.938804
"550652"	554.292952	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+2Cl"	69.938804
"1024072"	208.077252	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2Cl"	69.938804
"1244745"	425.134585	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Br"	78.918885
"1307192"	427.190572	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Cl+HCOOH"	80.974872
"1322503"	449.172529	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Cl+NaCOOH"	102.956829
"916840"	459.201286	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M-H+CF3COOH"	112.985586
"1289308"	495.177964	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Cl+CF3COOH"	148.962264
"1367659"	311.203024	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H-2H2O"	-35.012676
"1383096"	329.213	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H-H2O"	-17.0027
"283106"	693.438676	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+H"	1.007276
"676824"	1039.654376	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+H"	1.007276
"1351627"	347.222976	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H"	1.007276
"126543"	347.222976	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+2H"	2.014552
"566026"	520.330826	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+2H"	2.014552
"1038196"	174.115126	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2H"	2.014552
"204554"	231.817742666667	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+3H"	3.021828
"645051"	347.222976	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+3H"	3.021828
"1163209"	116.412509333333	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+3H"	3.021828
"424736"	710.465223	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+NH4"	18.033823
"786948"	1056.680923	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+NH4"	18.033823
"1683280"	364.249523	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+NH4"	18.033823
"332290"	355.7362495	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+H+NH4"	19.041099
"726900"	528.8440995	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+H+NH4"	19.041099
"1479625"	182.6283995	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H+NH4"	19.041099
"395387"	715.420618	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+Na"	22.989218
"758207"	1061.636318	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+Na"	22.989218
"1607398"	369.204918	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Na"	22.989218
"323996"	358.213947	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+H+Na"	23.996494
"707670"	531.321797	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+H+Na"	23.996494
"1461740"	185.106097	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H+Na"	23.996494
"1053535"	123.739823333333	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2H+Na"	25.00377
"1257274"	379.249186	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+CH3OH+H"	33.033486
"379016"	731.394558	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+K"	38.963158
"738831"	1077.610258	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+K"	38.963158
"1541698"	385.178858	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+K"	38.963158
"299966"	366.200917	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+H+K"	39.970434
"694943"	539.308767	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+H+K"	39.970434
"1451680"	193.093067	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H+K"	39.970434
"247576"	734.465226	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+ACN+H"	42.033826
"1219193"	388.249526	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+ACN+H"	42.033826
"1206361"	194.628401	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+ACN+2H"	43.041102
"197044"	737.40256	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+2Na-H"	44.97116
"636603"	1083.61826	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+2Na-H"	44.97116
"1139014"	391.18686	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2Na-H"	44.97116
"179023"	369.204918	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+2Na"	45.978436
"619677"	542.312768	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+2Na"	45.978436
"1118075"	196.097068	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2Na"	45.978436
"1402334"	131.067137333333	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H+2Na"	46.985712
"1432621"	393.228446	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H+HCOOH"	47.012746
"221958"	374.23794	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+3H2O+2H"	56.04448
"1511114"	407.28049	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+IsoProp+H"	61.06479
"419555"	377.191888	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+Na+K"	61.952376
"777634"	550.299738	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+Na+K"	61.952376
"1675057"	204.084038	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Na+K"	61.952376
"255745"	756.447168	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+ACN+Na"	64.015768
"1232827"	410.231468	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+ACN+Na"	64.015768
"1717338"	410.254993	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+NH4+HCOOH"	64.039293
"1183789"	138.394451333333	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+3Na"	68.967654
"1655867"	415.210388	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Na+HCOOH"	68.994688
"159449"	769.35044	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+2K-H"	76.91904
"601196"	1115.56614	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+2K-H"	76.91904
"1085339"	423.13474	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2K-H"	76.91904
"147994"	385.178858	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"2M+2K"	77.926316
"588648"	558.286708	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"3M+2K"	77.926316
"1072066"	212.071008	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2K"	77.926316
"1103086"	425.149292	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2K+H"	78.933592
"1339472"	425.236907	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+DMSO+H"	79.021207
"1012377"	429.276076	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2ACN+H"	83.060376
"1526493"	430.269708	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+IsoProp+Na+H"	84.054008
"992576"	215.141676	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+2ACN+2H"	84.067652
"1592551"	431.184328	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+K+HCOOH"	84.968628
"1422587"	461.215838	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+H+CF3COOH"	115.000138
"1148502"	235.654951	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+3ACN+2H"	125.094202
"1699145"	478.242385	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+NH4+CF3COOH"	132.026685
"1641362"	483.19778	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+Na+CF3COOH"	136.98208
"1572639"	499.17172	"C10573"	"Calycanthine"	"C22H26N4"	"346.2157"	"M+K+CF3COOH"	152.95602
"809567"	354.1467	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M"	0
"982006"	335.12831	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-H2O-H"	-19.01839
"75718"	235.090524	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M-3H"	-3.021828
"513092"	353.139424	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M-3H"	-3.021828
"891990"	117.041624	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-3H"	-3.021828
"10563"	353.139424	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M-2H"	-2.014552
"451218"	530.212774	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M-2H"	-2.014552
"827928"	176.066074	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-2H"	-2.014552
"86825"	707.286124	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M-H"	-1.007276
"527481"	1061.432824	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M-H"	-1.007276
"900179"	353.139424	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-H"	-1.007276
"48720"	724.312671	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M-2H+NH4"	16.019271
"493016"	1078.459371	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M-2H+NH4"	16.019271
"866927"	370.165971	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-2H+NH4"	16.019271
"35436"	729.268066	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M-2H+Na"	20.974666
"473660"	1083.414766	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M-2H+Na"	20.974666
"855723"	375.121366	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-2H+Na"	20.974666
"1619422"	375.121366	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Na-2H"	20.974666
"95822"	371.127763	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M-H+Cl"	33.962126
"535989"	548.201113	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M-H+Cl"	33.962126
"929026"	194.054413	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-H+Cl"	33.962126
"278887"	743.262802	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+Cl"	34.969402
"662560"	1097.409502	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+Cl"	34.969402
"1276058"	389.116102	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Cl"	34.969402
"20800"	745.242006	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M-2H+K"	36.948606
"457074"	1099.388706	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M-2H+K"	36.948606
"832933"	391.095306	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-2H+K"	36.948606
"1559462"	391.095306	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+K-2H"	36.948606
"952813"	399.144894	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-H+HCOOH"	44.998194
"366656"	753.291601	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+HCOOH-H"	44.998201
"349447"	767.307251	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+Hac-H"	59.013851
"1493907"	413.160551	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Hac-H"	59.013851
"960109"	421.126851	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-H+NaCOOH"	66.980151
"110352"	389.116102	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+2Cl"	69.938804
"550195"	566.189452	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+2Cl"	69.938804
"1022358"	212.042752	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2Cl"	69.938804
"1244855"	433.065585	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Br"	78.918885
"1308395"	435.121572	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Cl+HCOOH"	80.974872
"1324798"	457.103529	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Cl+NaCOOH"	102.956829
"919136"	467.132286	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M-H+CF3COOH"	112.985586
"1290026"	503.108964	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Cl+CF3COOH"	148.962264
"1367083"	319.134024	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H-2H2O"	-35.012676
"1382955"	337.144	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H-H2O"	-17.0027
"283011"	709.300676	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+H"	1.007276
"677181"	1063.447376	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+H"	1.007276
"1351584"	355.153976	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H"	1.007276
"127391"	355.153976	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+2H"	2.014552
"566463"	532.227326	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+2H"	2.014552
"1038671"	178.080626	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2H"	2.014552
"204987"	237.105076	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+3H"	3.021828
"645155"	355.153976	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+3H"	3.021828
"1164251"	119.056176	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+3H"	3.021828
"425091"	726.327223	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+NH4"	18.033823
"787423"	1080.473923	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+NH4"	18.033823
"1683390"	372.180523	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+NH4"	18.033823
"333127"	363.6672495	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+H+NH4"	19.041099
"726642"	540.7405995	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+H+NH4"	19.041099
"1479734"	186.5938995	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H+NH4"	19.041099
"397320"	731.282618	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+Na"	22.989218
"762688"	1085.429318	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+Na"	22.989218
"1611885"	377.135918	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Na"	22.989218
"316451"	366.144947	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+H+Na"	23.996494
"707417"	543.218297	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+H+Na"	23.996494
"1463071"	189.071597	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H+Na"	23.996494
"1055590"	126.38349	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2H+Na"	25.00377
"1260914"	387.180186	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+CH3OH+H"	33.033486
"379126"	747.256558	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+K"	38.963158
"743767"	1101.403258	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+K"	38.963158
"1548007"	393.109858	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+K"	38.963158
"305545"	374.131917	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+H+K"	39.970434
"696510"	551.205267	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+H+K"	39.970434
"1453612"	197.058567	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H+K"	39.970434
"245502"	750.327226	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+ACN+H"	42.033826
"1219307"	396.180526	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+ACN+H"	42.033826
"1201003"	198.593901	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+ACN+2H"	43.041102
"196058"	753.26456	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+2Na-H"	44.97116
"635619"	1107.41126	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+2Na-H"	44.97116
"1136208"	399.11786	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2Na-H"	44.97116
"180228"	377.135918	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+2Na"	45.978436
"617600"	554.209268	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+2Na"	45.978436
"1118551"	200.062568	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2Na"	45.978436
"1402445"	133.710804	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H+2Na"	46.985712
"1433100"	401.159446	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H+HCOOH"	47.012746
"227539"	382.16894	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+3H2O+2H"	56.04448
"1514508"	415.21149	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+IsoProp+H"	61.06479
"416386"	385.122888	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+Na+K"	61.952376
"774101"	562.196238	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+Na+K"	61.952376
"1669338"	208.049538	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Na+K"	61.952376
"254035"	772.309168	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+ACN+Na"	64.015768
"1228199"	418.162468	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+ACN+Na"	64.015768
"1716359"	418.185993	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+NH4+HCOOH"	64.039293
"1183898"	141.038118	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+3Na"	68.967654
"1653788"	423.141388	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Na+HCOOH"	68.994688
"159191"	785.21244	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+2K-H"	76.91904
"597816"	1139.35914	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+2K-H"	76.91904
"1084635"	431.06574	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2K-H"	76.91904
"145918"	393.109858	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"2M+2K"	77.926316
"588758"	570.183208	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"3M+2K"	77.926316
"1074365"	216.036508	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2K"	77.926316
"1104293"	433.080292	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2K+H"	78.933592
"1339948"	433.167907	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+DMSO+H"	79.021207
"1012489"	437.207076	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2ACN+H"	83.060376
"1526604"	438.200708	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+IsoProp+Na+H"	84.054008
"992687"	219.107176	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+2ACN+2H"	84.067652
"1594849"	439.115328	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+K+HCOOH"	84.968628
"1422697"	469.146838	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+H+CF3COOH"	115.000138
"1152987"	239.620451	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+3ACN+2H"	125.094202
"1701444"	486.173385	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+NH4+CF3COOH"	132.026685
"1641469"	491.12878	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+Na+CF3COOH"	136.98208
"1573113"	507.10272	"C10574"	"Futoquinol"	"C21H22O5"	"354.1467"	"M+K+CF3COOH"	152.95602
"815877"	180.1388	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M"	0
"988319"	161.12041	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-H2O-H"	-19.01839
"75830"	119.085257333333	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M-3H"	-3.021828
"513203"	179.131524	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M-3H"	-3.021828
"892099"	59.0389906666667	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-3H"	-3.021828
"11770"	179.131524	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M-2H"	-2.014552
"450235"	269.200924	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M-2H"	-2.014552
"829131"	89.062124	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-2H"	-2.014552
"90217"	359.270324	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M-H"	-1.007276
"528684"	539.409124	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M-H"	-1.007276
"898832"	179.131524	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-H"	-1.007276
"53203"	376.296871	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M-2H+NH4"	16.019271
"492762"	556.435671	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M-2H+NH4"	16.019271
"866920"	196.158071	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-2H+NH4"	16.019271
"32996"	381.252266	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M-2H+Na"	20.974666
"473650"	561.391066	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M-2H+Na"	20.974666
"855833"	201.113466	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-2H+Na"	20.974666
"1626459"	201.113466	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Na-2H"	20.974666
"98613"	197.119863	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M-H+Cl"	33.962126
"534726"	287.189263	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M-H+Cl"	33.962126
"928164"	107.050463	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-H+Cl"	33.962126
"278997"	395.247002	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+Cl"	34.969402
"665951"	575.385802	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+Cl"	34.969402
"1277262"	215.108202	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Cl"	34.969402
"18723"	397.226206	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M-2H+K"	36.948606
"457668"	577.365006	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M-2H+K"	36.948606
"836087"	217.087406	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-2H+K"	36.948606
"1558845"	217.087406	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+K-2H"	36.948606
"949643"	225.136994	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-H+HCOOH"	44.998194
"366766"	405.275801	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+HCOOH-H"	44.998201
"348828"	419.291451	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+Hac-H"	59.013851
"1494017"	239.152651	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Hac-H"	59.013851
"960827"	247.118951	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-H+NaCOOH"	66.980151
"112651"	215.108202	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+2Cl"	69.938804
"549968"	305.177602	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+2Cl"	69.938804
"1022589"	125.038802	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2Cl"	69.938804
"1243871"	259.057685	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Br"	78.918885
"1307413"	261.113672	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Cl+HCOOH"	80.974872
"1324908"	283.095629	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Cl+NaCOOH"	102.956829
"918153"	293.124386	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M-H+CF3COOH"	112.985586
"1289770"	329.101064	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Cl+CF3COOH"	148.962264
"1367035"	145.126124	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H-2H2O"	-35.012676
"1382761"	163.1361	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H-H2O"	-17.0027
"282961"	361.284876	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+H"	1.007276
"676320"	541.423676	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+H"	1.007276
"1351573"	181.146076	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H"	1.007276
"126408"	181.146076	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+2H"	2.014552
"566449"	271.215476	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+2H"	2.014552
"1037224"	91.076676	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2H"	2.014552
"204734"	121.099809333333	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+3H"	3.021828
"645876"	181.146076	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+3H"	3.021828
"1163020"	61.0535426666667	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+3H"	3.021828
"424352"	378.311423	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+NH4"	18.033823
"787532"	558.450223	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+NH4"	18.033823
"1682772"	198.172623	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+NH4"	18.033823
"331778"	189.6593495	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+H+NH4"	19.041099
"723835"	279.7287495	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+H+NH4"	19.041099
"1478746"	99.5899495	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H+NH4"	19.041099
"395239"	383.266818	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+Na"	22.989218
"757333"	563.405618	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+Na"	22.989218
"1609808"	203.128018	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Na"	22.989218
"315468"	192.137047	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+H+Na"	23.996494
"708264"	282.206447	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+H+Na"	23.996494
"1469384"	102.067647	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H+Na"	23.996494
"1056066"	68.3808566666667	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2H+Na"	25.00377
"1265404"	213.172286	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+CH3OH+H"	33.033486
"385071"	399.240758	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+K"	38.963158
"746065"	579.379558	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+K"	38.963158
"1547024"	219.101958	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+K"	38.963158
"305295"	200.124017	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+H+K"	39.970434
"697715"	290.193417	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+H+K"	39.970434
"1455914"	110.054617	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H+K"	39.970434
"246703"	402.311426	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+ACN+H"	42.033826
"1219416"	222.172626	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+ACN+H"	42.033826
"1201111"	111.589951	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+ACN+2H"	43.041102
"193981"	405.24876	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+2Na-H"	44.97116
"632809"	585.38756	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+2Na-H"	44.97116
"1135587"	225.10996	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2Na-H"	44.97116
"179244"	203.128018	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+2Na"	45.978436
"616615"	293.197418	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+2Na"	45.978436
"1122312"	113.058618	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2Na"	45.978436
"1399880"	75.7081706666667	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H+2Na"	46.985712
"1442696"	227.151546	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H+HCOOH"	47.012746
"231663"	208.16104	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+3H2O+2H"	56.04448
"1516811"	241.20359	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+IsoProp+H"	61.06479
"413216"	211.114988	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+Na+K"	61.952376
"771172"	301.184388	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+Na+K"	61.952376
"1666411"	121.045588	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Na+K"	61.952376
"251874"	424.293368	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+ACN+Na"	64.015768
"1227945"	244.154568	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+ACN+Na"	64.015768
"1715370"	244.178093	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+NH4+HCOOH"	64.039293
"1180361"	83.0354846666667	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+3Na"	68.967654
"1653169"	249.133488	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Na+HCOOH"	68.994688
"158326"	437.19664	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+2K-H"	76.91904
"598862"	617.33544	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+2K-H"	76.91904
"1085197"	257.05784	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2K-H"	76.91904
"147487"	219.101958	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"2M+2K"	77.926316
"586682"	309.171358	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"3M+2K"	77.926316
"1072286"	129.032558	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2K"	77.926316
"1104767"	259.072392	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2K+H"	78.933592
"1338965"	259.160007	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+DMSO+H"	79.021207
"1011504"	263.199176	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2ACN+H"	83.060376
"1526716"	264.192808	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+IsoProp+Na+H"	84.054008
"1000458"	132.103226	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+2ACN+2H"	84.067652
"1597150"	265.107428	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+K+HCOOH"	84.968628
"1427184"	295.138938	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+H+CF3COOH"	115.000138
"1153097"	152.616501	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+3ACN+2H"	125.094202
"1703742"	312.165485	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+NH4+CF3COOH"	132.026685
"1641581"	317.12088	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+Na+CF3COOH"	136.98208
"1573223"	333.09482	"C10575"	"Candicine;Ammonium (p-hydroxyphenethyl)trimethyl-"	"C11H18NO"	"180.1388"	"M+K+CF3COOH"	152.95602
"813071"	381.2991	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M"	0
"986605"	362.28071	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-H2O-H"	-19.01839
"69379"	253.192124	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M-3H"	-3.021828
"512220"	380.291824	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M-3H"	-3.021828
"891116"	126.092424	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-3H"	-3.021828
"11879"	380.291824	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M-2H"	-2.014552
"449252"	570.941374	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M-2H"	-2.014552
"827055"	189.642274	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-2H"	-2.014552
"88140"	761.590924	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M-H"	-1.007276
"525514"	1142.890024	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M-H"	-1.007276
"898942"	380.291824	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-H"	-1.007276
"49666"	778.617471	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M-2H+NH4"	16.019271
"489955"	1159.916571	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M-2H+NH4"	16.019271
"868489"	397.318371	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-2H+NH4"	16.019271
"34565"	783.572866	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M-2H+Na"	20.974666
"472423"	1164.871966	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M-2H+Na"	20.974666
"855943"	402.273766	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-2H+Na"	20.974666
"1629850"	402.273766	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Na-2H"	20.974666
"102004"	398.280163	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M-H+Cl"	33.962126
"539377"	588.929713	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M-H+Cl"	33.962126
"929612"	207.630613	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-H+Cl"	33.962126
"279107"	797.567602	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+Cl"	34.969402
"669343"	1178.866702	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+Cl"	34.969402
"1276277"	416.268502	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Cl"	34.969402
"16647"	799.546806	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M-2H+K"	36.948606
"456285"	1180.845906	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M-2H+K"	36.948606
"833115"	418.247706	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-2H+K"	36.948606
"1556402"	418.247706	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+K-2H"	36.948606
"948659"	426.297294	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-H+HCOOH"	44.998194
"363595"	807.596401	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+HCOOH-H"	44.998201
"346016"	821.612051	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+Hac-H"	59.013851
"1492818"	440.312951	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Hac-H"	59.013851
"961303"	448.279251	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-H+NaCOOH"	66.980151
"112032"	416.268502	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+2Cl"	69.938804
"550375"	606.918052	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+2Cl"	69.938804
"1023308"	225.618952	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2Cl"	69.938804
"1244344"	460.217985	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Br"	78.918885
"1307522"	462.273972	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Cl+HCOOH"	80.974872
"1325018"	484.255929	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Cl+NaCOOH"	102.956829
"917169"	494.284686	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M-H+CF3COOH"	112.985586
"1290973"	530.261364	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Cl+CF3COOH"	148.962264
"1367675"	346.286424	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H-2H2O"	-35.012676
"1382824"	364.2964	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H-H2O"	-17.0027
"283192"	763.605476	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+H"	1.007276
"676916"	1144.904576	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+H"	1.007276
"1351408"	382.306376	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H"	1.007276
"126640"	382.306376	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+2H"	2.014552
"566077"	572.955926	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+2H"	2.014552
"1037152"	191.656826	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2H"	2.014552
"205695"	255.206676	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+3H"	3.021828
"645137"	382.306376	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+3H"	3.021828
"1163170"	128.106976	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+3H"	3.021828
"425192"	780.632023	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+NH4"	18.033823
"788008"	1161.931123	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+NH4"	18.033823
"1683976"	399.332923	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+NH4"	18.033823
"332252"	390.8196495	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+H+NH4"	19.041099
"725404"	581.4691995	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+H+NH4"	19.041099
"1479950"	200.1700995	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H+NH4"	19.041099
"396808"	785.587418	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+Na"	22.989218
"759629"	1166.886518	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+Na"	22.989218
"1609918"	404.288318	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Na"	22.989218
"316305"	393.297347	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+H+Na"	23.996494
"709105"	583.946897	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+H+Na"	23.996494
"1470587"	202.647797	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H+Na"	23.996494
"1059458"	135.43429	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2H+Na"	25.00377
"1269889"	414.332586	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+CH3OH+H"	33.033486
"385181"	801.561358	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+K"	38.963158
"749457"	1182.860458	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+K"	38.963158
"1549322"	420.262258	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+K"	38.963158
"304314"	401.284317	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+H+K"	39.970434
"696732"	591.933867	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+H+K"	39.970434
"1456026"	210.634767	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H+K"	39.970434
"247906"	804.632026	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+ACN+H"	42.033826
"1220618"	423.332926	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+ACN+H"	42.033826
"1201221"	212.170101	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+ACN+2H"	43.041102
"199195"	807.56936	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+2Na-H"	44.97116
"631098"	1188.86846	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+2Na-H"	44.97116
"1133145"	426.27026	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2Na-H"	44.97116
"179354"	404.288318	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+2Na"	45.978436
"614537"	594.937868	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+2Na"	45.978436
"1122422"	213.638768	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2Na"	45.978436
"1399018"	142.761604	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H+2Na"	46.985712
"1444629"	428.311846	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H+HCOOH"	47.012746
"231409"	409.32134	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+3H2O+2H"	56.04448
"1511818"	442.36389	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+IsoProp+H"	61.06479
"413327"	412.275288	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+Na+K"	61.952376
"771406"	602.924838	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+Na+K"	61.952376
"1665915"	221.625738	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Na+K"	61.952376
"253163"	826.613968	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+ACN+Na"	64.015768
"1226963"	445.314868	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+ACN+Na"	64.015768
"1713294"	445.338393	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+NH4+HCOOH"	64.039293
"1180837"	150.088918	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+3Na"	68.967654
"1651821"	450.293788	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Na+HCOOH"	68.994688
"157710"	839.51724	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+2K-H"	76.91904
"598243"	1220.81634	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+2K-H"	76.91904
"1085428"	458.21814	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2K-H"	76.91904
"141541"	420.262258	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"2M+2K"	77.926316
"586063"	610.911808	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"3M+2K"	77.926316
"1070210"	229.612708	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2K"	77.926316
"1103784"	460.232692	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2K+H"	78.933592
"1339079"	460.320307	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+DMSO+H"	79.021207
"1008699"	464.359476	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2ACN+H"	83.060376
"1529745"	465.353108	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+IsoProp+Na+H"	84.054008
"1001661"	232.683376	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+2ACN+2H"	84.067652
"1602124"	466.267728	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+K+HCOOH"	84.968628
"1427294"	496.299238	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+H+CF3COOH"	115.000138
"1156488"	253.196651	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+3ACN+2H"	125.094202
"1701664"	513.325785	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+NH4+CF3COOH"	132.026685
"1648253"	518.28118	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+Na+CF3COOH"	136.98208
"1576249"	534.25512	"C10576"	"Cannabisativine"	"C21H39N3O3"	"381.2991"	"M+K+CF3COOH"	152.95602
"812088"	417.19	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M"	0
"987444"	398.17161	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-H2O-H"	-19.01839
"69489"	277.119390666667	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M-3H"	-3.021828
"512330"	416.182724	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M-3H"	-3.021828
"890133"	138.056057333333	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-3H"	-3.021828
"10896"	416.182724	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M-2H"	-2.014552
"449362"	624.777724	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M-2H"	-2.014552
"826072"	207.587724	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-2H"	-2.014552
"86063"	833.372724	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M-H"	-1.007276
"525624"	1250.562724	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M-H"	-1.007276
"902333"	416.182724	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-H"	-1.007276
"49047"	850.399271	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M-2H+NH4"	16.019271
"490432"	1267.589271	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M-2H+NH4"	16.019271
"867870"	433.209271	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-2H+NH4"	16.019271
"36863"	855.354666	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M-2H+Na"	20.974666
"475692"	1272.544666	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M-2H+Na"	20.974666
"854960"	438.164666	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-2H+Na"	20.974666
"1628867"	438.164666	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Na-2H"	20.974666
"105396"	434.171063	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M-H+Cl"	33.962126
"539489"	642.766063	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M-H+Cl"	33.962126
"931910"	225.576063	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-H+Cl"	33.962126
"279217"	869.349402	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+Cl"	34.969402
"670546"	1286.539402	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+Cl"	34.969402
"1276387"	452.159402	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Cl"	34.969402
"17851"	871.328606	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M-2H+K"	36.948606
"455867"	1288.518606	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M-2H+K"	36.948606
"832981"	454.138606	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-2H+K"	36.948606
"1557242"	454.138606	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+K-2H"	36.948606
"948770"	462.188194	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-H+HCOOH"	44.998194
"364798"	879.378201	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+HCOOH-H"	44.998201
"345847"	893.393851	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+Hac-H"	59.013851
"1493547"	476.203851	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Hac-H"	59.013851
"961777"	484.170151	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-H+NaCOOH"	66.980151
"111049"	452.159402	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+2Cl"	69.938804
"551705"	660.754402	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+2Cl"	69.938804
"1022202"	243.564402	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2Cl"	69.938804
"1243361"	496.108885	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Br"	78.918885
"1306539"	498.164872	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Cl+HCOOH"	80.974872
"1324035"	520.146829	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Cl+NaCOOH"	102.956829
"916188"	530.175586	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M-H+CF3COOH"	112.985586
"1291447"	566.152264	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Cl+CF3COOH"	148.962264
"1367293"	382.177324	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H-2H2O"	-35.012676
"1382799"	400.1873	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H-H2O"	-17.0027
"283503"	835.387276	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+H"	1.007276
"677027"	1252.577276	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+H"	1.007276
"1351747"	418.197276	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H"	1.007276
"126996"	418.197276	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+2H"	2.014552
"566671"	626.792276	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+2H"	2.014552
"1037785"	209.602276	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2H"	2.014552
"205441"	279.133942666667	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+3H"	3.021828
"645732"	418.197276	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+3H"	3.021828
"1163244"	140.070609333333	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+3H"	3.021828
"426030"	852.413823	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+NH4"	18.033823
"787391"	1269.603823	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+NH4"	18.033823
"1684085"	435.223823	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+NH4"	18.033823
"331999"	426.7105495	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+H+NH4"	19.041099
"726244"	635.3055495	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+H+NH4"	19.041099
"1478725"	218.1155495	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H+NH4"	19.041099
"396192"	857.369218	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+Na"	22.989218
"756461"	1274.559218	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+Na"	22.989218
"1613308"	440.179218	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Na"	22.989218
"316414"	429.188247	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+H+Na"	23.996494
"707221"	637.783247	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+H+Na"	23.996494
"1466322"	220.593247	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H+Na"	23.996494
"1061754"	147.397923333333	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2H+Na"	25.00377
"1264528"	450.223486	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+CH3OH+H"	33.033486
"387113"	873.343158	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+K"	38.963158
"746285"	1290.533158	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+K"	38.963158
"1545057"	456.153158	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+K"	38.963158
"304421"	437.175217	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+H+K"	39.970434
"693926"	645.770217	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+H+K"	39.970434
"1457229"	228.580217	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H+K"	39.970434
"246923"	876.413826	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+ACN+H"	42.033826
"1216355"	459.223826	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+ACN+H"	42.033826
"1201331"	230.115551	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+ACN+2H"	43.041102
"194201"	879.35116	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+2Na-H"	44.97116
"630845"	1296.54116	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+2Na-H"	44.97116
"1133621"	462.16116	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2Na-H"	44.97116
"179464"	440.179218	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+2Na"	45.978436
"615011"	648.774218	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+2Na"	45.978436
"1122532"	231.584218	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2Na"	45.978436
"1399616"	154.725237333333	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H+2Na"	46.985712
"1443646"	464.202746	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H+HCOOH"	47.012746
"231519"	445.21224	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+3H2O+2H"	56.04448
"1514844"	478.25479	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+IsoProp+H"	61.06479
"411614"	448.166188	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+Na+K"	61.952376
"773703"	656.761188	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+Na+K"	61.952376
"1666142"	239.571188	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Na+K"	61.952376
"252179"	898.395768	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+ACN+Na"	64.015768
"1227802"	481.205768	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+ACN+Na"	64.015768
"1714134"	481.229293	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+NH4+HCOOH"	64.039293
"1180583"	162.052551333333	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+3Na"	68.967654
"1650838"	486.184688	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Na+HCOOH"	68.994688
"157494"	911.29904	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+2K-H"	76.91904
"597623"	1328.48904	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+2K-H"	76.91904
"1084687"	494.10904	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2K-H"	76.91904
"141653"	456.153158	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"2M+2K"	77.926316
"583622"	664.748158	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"3M+2K"	77.926316
"1071413"	247.558158	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2K"	77.926316
"1102801"	496.123592	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2K+H"	78.933592
"1339918"	496.211207	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+DMSO+H"	79.021207
"1009538"	500.250376	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2ACN+H"	83.060376
"1529855"	501.244008	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+IsoProp+Na+H"	84.054008
"999585"	250.628826	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+2ACN+2H"	84.067652
"1602111"	502.158628	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+K+HCOOH"	84.968628
"1427404"	532.190138	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+H+CF3COOH"	115.000138
"1156598"	271.142101	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+3ACN+2H"	125.094202
"1701775"	549.216685	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+NH4+CF3COOH"	132.026685
"1641801"	554.17208	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+Na+CF3COOH"	136.98208
"1579639"	570.14602	"C10577"	"Casimiroedine"	"C21H27N3O6"	"417.19"	"M+K+CF3COOH"	152.95602
"815113"	379.226	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M"	0
"986825"	360.20761	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-H2O-H"	-19.01839
"72880"	251.810057333333	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M-3H"	-3.021828
"512440"	378.218724	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M-3H"	-3.021828
"890243"	125.401390666667	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-3H"	-3.021828
"12099"	378.218724	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M-2H"	-2.014552
"450565"	567.831724	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M-2H"	-2.014552
"826181"	188.605724	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-2H"	-2.014552
"86173"	757.444724	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M-H"	-1.007276
"524641"	1136.670724	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M-H"	-1.007276
"897702"	378.218724	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-H"	-1.007276
"53533"	774.471271	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M-2H+NH4"	16.019271
"490541"	1153.697271	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M-2H+NH4"	16.019271
"870896"	395.245271	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-2H+NH4"	16.019271
"36609"	779.426666	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M-2H+Na"	20.974666
"475438"	1158.652666	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M-2H+Na"	20.974666
"855070"	400.200666	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-2H+Na"	20.974666
"1628977"	400.200666	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Na-2H"	20.974666
"105506"	396.207063	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M-H+Cl"	33.962126
"539599"	585.820063	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M-H+Cl"	33.962126
"932020"	206.594063	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-H+Cl"	33.962126
"279327"	793.421402	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+Cl"	34.969402
"669564"	1172.647402	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+Cl"	34.969402
"1280872"	414.195402	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Cl"	34.969402
"20150"	795.400606	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M-2H+K"	36.948606
"462989"	1174.626606	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M-2H+K"	36.948606
"835324"	416.174606	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-2H+K"	36.948606
"1559905"	416.174606	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+K-2H"	36.948606
"948881"	424.224194	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-H+HCOOH"	44.998194
"363815"	803.450201	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+HCOOH-H"	44.998201
"346241"	817.465851	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+Hac-H"	59.013851
"1492929"	438.239851	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Hac-H"	59.013851
"959213"	446.206151	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-H+NaCOOH"	66.980151
"111523"	414.195402	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+2Cl"	69.938804
"550837"	603.808402	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+2Cl"	69.938804
"1022431"	224.582402	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2Cl"	69.938804
"1242013"	458.144885	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Br"	78.918885
"1306284"	460.200872	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Cl+HCOOH"	80.974872
"1321231"	482.182829	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Cl+NaCOOH"	102.956829
"914109"	492.211586	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M-H+CF3COOH"	112.985586
"1290100"	528.188264	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Cl+CF3COOH"	148.962264
"1367765"	344.213324	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H-2H2O"	-35.012676
"1383442"	362.2233	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H-H2O"	-17.0027
"283375"	759.459276	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+H"	1.007276
"675920"	1138.685276	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+H"	1.007276
"1351427"	380.233276	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H"	1.007276
"127838"	380.233276	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+2H"	2.014552
"566217"	569.846276	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+2H"	2.014552
"1038139"	190.620276	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2H"	2.014552
"205551"	253.824609333333	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+3H"	3.021828
"645963"	380.233276	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+3H"	3.021828
"1163110"	127.415942666667	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+3H"	3.021828
"426141"	776.485823	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+NH4"	18.033823
"787502"	1155.711823	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+NH4"	18.033823
"1683831"	397.259823	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+NH4"	18.033823
"330288"	388.7465495	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+H+NH4"	19.041099
"724532"	578.3595495	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+H+NH4"	19.041099
"1479444"	199.1335495	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H+NH4"	19.041099
"395940"	781.441218	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+Na"	22.989218
"759852"	1160.667218	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+Na"	22.989218
"1614513"	402.215218	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Na"	22.989218
"316889"	391.224247	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+H+Na"	23.996494
"707622"	580.837247	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+H+Na"	23.996494
"1466432"	201.611247	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H+Na"	23.996494
"1061864"	134.743256666667	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2H+Na"	25.00377
"1265732"	412.259486	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+CH3OH+H"	33.033486
"385400"	797.415158	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+K"	38.963158
"743115"	1176.641158	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+K"	38.963158
"1540183"	418.189158	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+K"	38.963158
"303438"	399.211217	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+H+K"	39.970434
"696952"	588.824217	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+H+K"	39.970434
"1456246"	209.598217	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H+K"	39.970434
"247033"	800.485826	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+ACN+H"	42.033826
"1218652"	421.259826	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+ACN+H"	42.033826
"1202534"	211.133551	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+ACN+2H"	43.041102
"195404"	803.42316	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+2Na-H"	44.97116
"632777"	1182.64916	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+2Na-H"	44.97116
"1133124"	424.19716	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2Na-H"	44.97116
"179574"	402.215218	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+2Na"	45.978436
"614151"	591.828218	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+2Na"	45.978436
"1122640"	212.602218	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2Na"	45.978436
"1400699"	142.070570666667	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H+2Na"	46.985712
"1437192"	426.238746	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H+HCOOH"	47.012746
"231264"	407.24824	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+3H2O+2H"	56.04448
"1517141"	440.29079	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+IsoProp+H"	61.06479
"411360"	410.202188	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+Na+K"	61.952376
"771262"	599.815188	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+Na+K"	61.952376
"1665928"	220.589188	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Na+K"	61.952376
"251958"	822.467768	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+ACN+Na"	64.015768
"1227184"	443.241768	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+ACN+Na"	64.015768
"1714002"	443.265293	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+NH4+HCOOH"	64.039293
"1178552"	149.397884666667	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+3Na"	68.967654
"1650054"	448.220688	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Na+HCOOH"	68.994688
"157483"	835.37104	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+2K-H"	76.91904
"597288"	1214.59704	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+2K-H"	76.91904
"1084473"	456.14504	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2K-H"	76.91904
"141975"	418.189158	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"2M+2K"	77.926316
"585919"	607.802158	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"3M+2K"	77.926316
"1071524"	228.576158	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2K"	77.926316
"1104735"	458.159592	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2K+H"	78.933592
"1338932"	458.247207	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+DMSO+H"	79.021207
"1008191"	462.286376	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2ACN+H"	83.060376
"1529965"	463.280008	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+IsoProp+Na+H"	84.054008
"1000790"	231.646826	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+2ACN+2H"	84.067652
"1601857"	464.194628	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+K+HCOOH"	84.968628
"1427514"	494.226138	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+H+CF3COOH"	115.000138
"1156708"	252.160101	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+3ACN+2H"	125.094202
"1701885"	511.252685	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+NH4+CF3COOH"	132.026685
"1641911"	516.20808	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+Na+CF3COOH"	136.98208
"1579749"	532.18202	"C10578"	"Celabenzine"	"C23H29N3O2"	"379.226"	"M+K+CF3COOH"	152.95602
"816481"	831.3466	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M"	0
"989371"	812.32821	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-H2O-H"	-19.01839
"77371"	553.223790666667	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M-3H"	-3.021828
"515834"	830.339324	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M-3H"	-3.021828
"894608"	276.108257333333	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-3H"	-3.021828
"15368"	830.339324	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M-2H"	-2.014552
"453594"	1246.012624	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M-2H"	-2.014552
"828479"	414.666024	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-2H"	-2.014552
"87377"	1661.685924	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M-H"	-1.007276
"526937"	2493.032524	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M-H"	-1.007276
"902552"	830.339324	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-H"	-1.007276
"55833"	1678.712471	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M-2H+NH4"	16.019271
"496484"	2510.059071	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M-2H+NH4"	16.019271
"869179"	847.365871	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-2H+NH4"	16.019271
"35623"	1683.667866	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M-2H+Na"	20.974666
"473724"	2515.014466	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M-2H+Na"	20.974666
"855180"	852.321266	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-2H+Na"	20.974666
"1629087"	852.321266	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Na-2H"	20.974666
"105616"	848.327663	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M-H+Cl"	33.962126
"539709"	1264.000963	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M-H+Cl"	33.962126
"932130"	432.654363	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-H+Cl"	33.962126
"279437"	1697.662602	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+Cl"	34.969402
"674047"	2529.009202	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+Cl"	34.969402
"1280982"	866.316002	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Cl"	34.969402
"24634"	1699.641806	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M-2H+K"	36.948606
"464193"	2530.988406	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M-2H+K"	36.948606
"836527"	868.295206	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-2H+K"	36.948606
"1561109"	868.295206	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+K-2H"	36.948606
"946804"	876.344794	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-H+HCOOH"	44.998194
"365383"	1707.691401	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+HCOOH-H"	44.998201
"349270"	1721.707051	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+Hac-H"	59.013851
"1495184"	890.360451	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Hac-H"	59.013851
"959444"	898.326751	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-H+NaCOOH"	66.980151
"111632"	866.316002	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+2Cl"	69.938804
"552652"	1281.989302	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+2Cl"	69.938804
"1024002"	450.642702	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2Cl"	69.938804
"1243578"	910.265485	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Br"	78.918885
"1305056"	912.321472	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Cl+HCOOH"	80.974872
"1320165"	934.303429	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Cl+NaCOOH"	102.956829
"914220"	944.332186	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M-H+CF3COOH"	112.985586
"1292395"	980.308864	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Cl+CF3COOH"	148.962264
"1367431"	796.333924	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H-2H2O"	-35.012676
"1383309"	814.3439	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H-H2O"	-17.0027
"283037"	1663.700476	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+H"	1.007276
"677611"	2495.047076	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+H"	1.007276
"1352135"	832.353876	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H"	1.007276
"129405"	832.353876	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+2H"	2.014552
"566771"	1248.027176	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+2H"	2.014552
"1038371"	416.680576	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2H"	2.014552
"204687"	555.238342666667	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+3H"	3.021828
"645586"	832.353876	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+3H"	3.021828
"1164075"	278.122809333333	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+3H"	3.021828
"425524"	1680.727023	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+NH4"	18.033823
"787612"	2512.073623	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+NH4"	18.033823
"1684307"	849.380423	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+NH4"	18.033823
"330763"	840.8671495	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+H+NH4"	19.041099
"725007"	1256.5404495	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+H+NH4"	19.041099
"1477974"	425.1938495	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H+NH4"	19.041099
"398967"	1685.682418	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+Na"	22.989218
"762150"	2517.029018	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+Na"	22.989218
"1613531"	854.335818	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Na"	22.989218
"314449"	843.344847	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+H+Na"	23.996494
"708340"	1259.018147	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+H+Na"	23.996494
"1476520"	427.671547	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H+Na"	23.996494
"1065257"	285.450123333333	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2H+Na"	25.00377
"1271439"	864.380086	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+CH3OH+H"	33.033486
"390252"	1701.656358	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+K"	38.963158
"749786"	2533.002958	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+K"	38.963158
"1546372"	870.309758	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+K"	38.963158
"304641"	851.331817	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+H+K"	39.970434
"697062"	1267.005117	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+H+K"	39.970434
"1457451"	435.658517	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H+K"	39.970434
"247144"	1704.727026	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+ACN+H"	42.033826
"1222043"	873.380426	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+ACN+H"	42.033826
"1203740"	437.193851	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+ACN+2H"	43.041102
"197703"	1707.66436	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+2Na-H"	44.97116
"636169"	2539.01096	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+2Na-H"	44.97116
"1140768"	876.31776	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2Na-H"	44.97116
"176404"	854.335818	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+2Na"	45.978436
"613897"	1270.009118	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+2Na"	45.978436
"1123844"	438.662518	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2Na"	45.978436
"1404089"	292.777437333333	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H+2Na"	46.985712
"1440582"	878.359346	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H+HCOOH"	47.012746
"233561"	859.36884	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+3H2O+2H"	56.04448
"1517250"	892.41139	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+IsoProp+H"	61.06479
"412563"	862.322788	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+Na+K"	61.952376
"775745"	1277.996088	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+Na+K"	61.952376
"1672077"	446.649488	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Na+K"	61.952376
"257502"	1726.708968	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+ACN+Na"	64.015768
"1229117"	895.362368	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+ACN+Na"	64.015768
"1720189"	895.385893	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+NH4+HCOOH"	64.039293
"1181533"	300.104751333333	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+3Na"	68.967654
"1653248"	900.341288	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Na+HCOOH"	68.994688
"160109"	1739.61224	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+2K-H"	76.91904
"600763"	2570.95884	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+2K-H"	76.91904
"1084908"	908.26564	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2K-H"	76.91904
"141843"	870.309758	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"2M+2K"	77.926316
"591503"	1285.983058	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"3M+2K"	77.926316
"1081479"	454.636458	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2K"	77.926316
"1109221"	910.280192	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2K+H"	78.933592
"1344513"	910.367807	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+DMSO+H"	79.021207
"1013044"	914.406976	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2ACN+H"	83.060376
"1534451"	915.400608	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+IsoProp+Na+H"	84.054008
"1004430"	457.707126	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+2ACN+2H"	84.067652
"1599782"	916.315228	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+K+HCOOH"	84.968628
"1424349"	946.346738	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+H+CF3COOH"	115.000138
"1161194"	478.220401	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+3ACN+2H"	125.094202
"1709651"	963.373285	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+NH4+CF3COOH"	132.026685
"1643115"	968.32868	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+Na+CF3COOH"	136.98208
"1576579"	984.30262	"C10579"	"Cephalomannine;Taxol B"	"C45H53NO14"	"831.3466"	"M+K+CF3COOH"	152.95602
"816668"	315.1471	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M"	0
"980481"	296.12871	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"73098"	209.090790666667	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"507191"	314.139824	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"890463"	104.041757333333	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"12315"	314.139824	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"455041"	471.713374	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"830775"	156.566274	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"87487"	629.286924	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"527047"	944.434024	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"904848"	314.139824	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"53755"	646.313471	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"500967"	961.460571	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"875489"	331.166371	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"43389"	651.268866	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"476022"	966.415966	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"858570"	336.121766	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1631749"	336.121766	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"102445"	332.128163	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"539088"	489.701713	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"934427"	174.554613	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"280276"	665.263602	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"674889"	980.410702	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1287291"	350.116502	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"26931"	667.242806	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"462115"	982.389906	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"839188"	352.095706	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1564499"	352.095706	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"952382"	360.145294	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"367680"	675.292401	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"349379"	689.308051	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1494566"	374.160951	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"961013"	382.127251	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"112837"	350.116502	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"553490"	507.690052	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1025936"	192.542952	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1245514"	394.065985	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1307965"	396.121972	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1325462"	418.103929	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"915425"	428.132686	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1288859"	464.109364	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1368227"	280.134424	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1383783"	298.1444	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"283956"	631.301476	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"676627"	946.448576	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1351759"	316.154376	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"126235"	316.154376	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"566638"	473.727926	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1038968"	158.580826	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"204676"	211.105342666667	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"645333"	316.154376	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1164915"	106.056309333333	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"426363"	648.328023	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"788451"	963.475123	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1684785"	333.180923	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"331605"	324.6676495	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"725119"	482.2411995	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1480396"	167.0940995	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"401265"	653.283418	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"767728"	968.430518	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1616192"	338.136318	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"316021"	327.145347	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"708571"	484.718897	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1475406"	169.571797	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1062087"	113.383623333333	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1270331"	348.180586	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"391455"	669.257358	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"746616"	984.404458	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1543202"	354.110258	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"300377"	335.132317	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"693159"	492.705867	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1457562"	177.558767	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"245068"	672.328026	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1222154"	357.180926	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1203850"	179.094101	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"194533"	675.26536	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"637372"	990.41246	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1140878"	360.11826	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"179794"	338.136318	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"614980"	495.709868	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1123954"	180.562768	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1407480"	120.710937333333	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1440692"	362.159846	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"233429"	343.16934	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1519548"	376.21189	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"413767"	346.123288	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"774762"	503.696838	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1666719"	188.549738	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"253238"	694.309968	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1228132"	379.162868	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1714464"	379.186393	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1181276"	128.038251333333	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1652990"	384.141788	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"159120"	707.21324	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"601232"	1022.36034	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1086471"	392.06614	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"141703"	354.110258	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"586143"	511.683808	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1072111"	196.536708	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1104954"	394.080692	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1340247"	394.168307	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1009867"	398.207476	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1531279"	399.201108	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"1003567"	199.607376	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1597706"	400.115728	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1425189"	430.147238	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1160211"	220.120651	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1707574"	447.173785	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1642132"	452.12918	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1576689"	468.10312	"C10580"	"Cephalotaxine"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"816534"	193.0739	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M"	0
"980591"	174.05551	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-H2O-H"	-19.01839
"72115"	127.708657333333	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M-3H"	-3.021828
"508394"	192.066624	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M-3H"	-3.021828
"891667"	63.3506906666667	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-3H"	-3.021828
"5865"	192.066624	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M-2H"	-2.014552
"453085"	288.603574	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M-2H"	-2.014552
"831737"	95.529674	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-2H"	-2.014552
"89784"	385.140524	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M-H"	-1.007276
"528250"	578.214424	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M-H"	-1.007276
"901678"	192.066624	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-H"	-1.007276
"56051"	402.167071	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M-2H+NH4"	16.019271
"494517"	595.240971	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M-2H+NH4"	16.019271
"873411"	209.093171	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-2H+NH4"	16.019271
"41312"	407.122466	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M-2H+Na"	20.974666
"477956"	600.196366	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M-2H+Na"	20.974666
"848993"	214.048566	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-2H+Na"	20.974666
"1620190"	214.048566	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Na-2H"	20.974666
"97815"	210.054963	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M-H+Cl"	33.962126
"539562"	306.591913	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M-H+Cl"	33.962126
"932713"	113.518013	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-H+Cl"	33.962126
"278563"	421.117202	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+Cl"	34.969402
"666612"	614.191102	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+Cl"	34.969402
"1281202"	228.043302	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Cl"	34.969402
"23757"	423.096406	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M-2H+K"	36.948606
"460401"	616.170306	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M-2H+K"	36.948606
"832971"	230.022506	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-2H+K"	36.948606
"1556098"	230.022506	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+K-2H"	36.948606
"943618"	238.072094	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-H+HCOOH"	44.998194
"364145"	431.146001	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+HCOOH-H"	44.998201
"347300"	445.161651	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+Hac-H"	59.013851
"1495769"	252.087751	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Hac-H"	59.013851
"958766"	260.054051	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-H+NaCOOH"	66.980151
"111488"	228.043302	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+2Cl"	69.938804
"550269"	324.580252	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+2Cl"	69.938804
"1022763"	131.506352	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2Cl"	69.938804
"1241609"	271.992785	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Br"	78.918885
"1306982"	274.048772	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Cl+HCOOH"	80.974872
"1321563"	296.030729	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Cl+NaCOOH"	102.956829
"913349"	306.059486	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M-H+CF3COOH"	112.985586
"1288719"	342.036164	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Cl+CF3COOH"	148.962264
"1367363"	158.061224	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H-2H2O"	-35.012676
"1383165"	176.0712	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H-H2O"	-17.0027
"283171"	387.155076	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+H"	1.007276
"676490"	580.228976	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+H"	1.007276
"1352597"	194.081176	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H"	1.007276
"127314"	194.081176	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+2H"	2.014552
"566058"	290.618126	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+2H"	2.014552
"1038467"	97.544226	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2H"	2.014552
"204339"	129.723209333333	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+3H"	3.021828
"645077"	194.081176	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+3H"	3.021828
"1163932"	65.3652426666667	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+3H"	3.021828
"425138"	404.181623	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+NH4"	18.033823
"787468"	597.255523	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+NH4"	18.033823
"1683799"	211.107723	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+NH4"	18.033823
"330864"	202.5944495	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+H+NH4"	19.041099
"724622"	299.1313995	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+H+NH4"	19.041099
"1481600"	106.0574995	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H+NH4"	19.041099
"398096"	409.137018	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+Na"	22.989218
"765651"	602.210918	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+Na"	22.989218
"1612657"	216.063118	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Na"	22.989218
"316250"	205.072147	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+H+Na"	23.996494
"707216"	301.609097	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+H+Na"	23.996494
"1462873"	108.535197	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H+Na"	23.996494
"1054904"	72.6925566666667	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2H+Na"	25.00377
"1261688"	226.107386	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+CH3OH+H"	33.033486
"390107"	425.110958	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+K"	38.963158
"746726"	618.184858	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+K"	38.963158
"1544040"	232.037058	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+K"	38.963158
"301579"	213.059117	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+H+K"	39.970434
"693269"	309.596067	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+H+K"	39.970434
"1454390"	116.522167	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H+K"	39.970434
"242988"	428.181626	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+ACN+H"	42.033826
"1222263"	235.107726	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+ACN+H"	42.033826
"1201774"	118.057501	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+ACN+2H"	43.041102
"192455"	431.11896	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+2Na-H"	44.97116
"631283"	624.19286	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+2Na-H"	44.97116
"1133697"	238.04506	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2Na-H"	44.97116
"173827"	216.063118	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+2Na"	45.978436
"615088"	312.600068	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+2Na"	45.978436
"1124064"	119.526168	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2Na"	45.978436
"1406497"	80.0198706666667	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H+2Na"	46.985712
"1437521"	240.086646	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H+HCOOH"	47.012746
"233780"	221.09614	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+3H2O+2H"	56.04448
"1519658"	254.13869	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+IsoProp+H"	61.06479
"416063"	224.050088	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+Na+K"	61.952376
"774872"	320.587038	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+Na+K"	61.952376
"1667557"	127.513138	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Na+K"	61.952376
"254439"	450.163568	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+ACN+Na"	64.015768
"1229697"	257.089668	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+ACN+Na"	64.015768
"1716395"	257.113193	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+NH4+HCOOH"	64.039293
"1182843"	87.3471846666667	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+3Na"	68.967654
"1654193"	262.068588	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Na+HCOOH"	68.994688
"158866"	463.06684	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+2K-H"	76.91904
"599520"	656.14074	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+2K-H"	76.91904
"1084633"	269.99294	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2K-H"	76.91904
"141692"	232.037058	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"2M+2K"	77.926316
"585159"	328.574008	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"3M+2K"	77.926316
"1071127"	135.500108	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2K"	77.926316
"1103971"	272.007492	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2K+H"	78.933592
"1338534"	272.095107	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+DMSO+H"	79.021207
"1008883"	276.134276	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2ACN+H"	83.060376
"1530296"	277.127908	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+IsoProp+Na+H"	84.054008
"1002948"	138.570776	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+2ACN+2H"	84.067652
"1598909"	278.042528	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+K+HCOOH"	84.968628
"1425663"	308.074038	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+H+CF3COOH"	115.000138
"1160321"	159.084051	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+3ACN+2H"	125.094202
"1707684"	325.100585	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+NH4+CF3COOH"	132.026685
"1645522"	330.05598	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+Na+CF3COOH"	136.98208
"1576799"	346.02992	"C10581"	"Cichorine"	"C10H11NO3"	"193.0739"	"M+K+CF3COOH"	152.95602
"816038"	465.2264	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M"	0
"983981"	446.20801	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-H2O-H"	-19.01839
"72225"	309.143657333333	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M-3H"	-3.021828
"509598"	464.219124	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M-3H"	-3.021828
"892507"	154.068190666667	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-3H"	-3.021828
"4882"	464.219124	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M-2H"	-2.014552
"454288"	696.832324	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M-2H"	-2.014552
"831362"	231.605924	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-2H"	-2.014552
"89531"	929.445524	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M-H"	-1.007276
"529453"	1394.671924	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M-H"	-1.007276
"901788"	464.219124	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-H"	-1.007276
"59442"	946.472071	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M-2H+NH4"	16.019271
"492441"	1411.698471	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M-2H+NH4"	16.019271
"873522"	481.245671	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-2H+NH4"	16.019271
"41422"	951.427466	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M-2H+Na"	20.974666
"480982"	1416.653866	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M-2H+Na"	20.974666
"849064"	486.201066	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-2H+Na"	20.974666
"1619572"	486.201066	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Na-2H"	20.974666
"95374"	482.207463	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M-H+Cl"	33.962126
"537122"	714.820663	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M-H+Cl"	33.962126
"929179"	249.594263	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-H+Cl"	33.962126
"280861"	965.422202	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+Cl"	34.969402
"672189"	1430.648602	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+Cl"	34.969402
"1282405"	500.195802	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Cl"	34.969402
"23868"	967.401406	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M-2H+K"	36.948606
"461241"	1432.627806	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M-2H+K"	36.948606
"832980"	502.175006	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-2H+K"	36.948606
"1556333"	502.175006	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+K-2H"	36.948606
"943851"	510.224594	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-H+HCOOH"	44.998194
"363890"	975.451001	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+HCOOH-H"	44.998201
"347045"	989.466651	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+Hac-H"	59.013851
"1494788"	524.240251	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Hac-H"	59.013851
"961233"	532.206551	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-H+NaCOOH"	66.980151
"113788"	500.195802	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+2Cl"	69.938804
"550548"	732.809002	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+2Cl"	69.938804
"1025063"	267.582602	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2Cl"	69.938804
"1244278"	544.145285	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Br"	78.918885
"1304538"	546.201272	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Cl+HCOOH"	80.974872
"1320944"	568.183229	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Cl+NaCOOH"	102.956829
"912365"	578.211986	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M-H+CF3COOH"	112.985586
"1289074"	614.188664	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Cl+CF3COOH"	148.962264
"1368451"	430.213724	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H-2H2O"	-35.012676
"1383116"	448.2237	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H-H2O"	-17.0027
"282856"	931.460076	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+H"	1.007276
"676360"	1396.686476	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+H"	1.007276
"1351977"	466.233676	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H"	1.007276
"127911"	466.233676	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+2H"	2.014552
"566741"	698.846876	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+2H"	2.014552
"1038095"	233.620476	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2H"	2.014552
"204288"	311.158209333333	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+3H"	3.021828
"644499"	466.233676	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+3H"	3.021828
"1162988"	156.082742666667	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+3H"	3.021828
"424255"	948.486623	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+NH4"	18.033823
"787214"	1413.713023	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+NH4"	18.033823
"1681478"	483.260223	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+NH4"	18.033823
"332553"	474.7469495	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+H+NH4"	19.041099
"724609"	707.3601495	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+H+NH4"	19.041099
"1477237"	242.1337495	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H+NH4"	19.041099
"393094"	953.442018	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+Na"	22.989218
"754314"	1418.668418	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+Na"	22.989218
"1603244"	488.215618	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Na"	22.989218
"317335"	477.224647	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+H+Na"	23.996494
"707245"	709.837847	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+H+Na"	23.996494
"1464685"	244.611447	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H+Na"	23.996494
"1055014"	163.410056666667	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2H+Na"	25.00377
"1262891"	498.259886	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+CH3OH+H"	33.033486
"388030"	969.415958	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+K"	38.963158
"744649"	1434.642358	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+K"	38.963158
"1546702"	504.189558	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+K"	38.963158
"300232"	485.211617	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+H+K"	39.970434
"693015"	717.824817	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+H+K"	39.970434
"1459608"	252.598417	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H+K"	39.970434
"248571"	972.486626	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+ACN+H"	42.033826
"1219093"	507.260226	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+ACN+H"	42.033826
"1202977"	254.133751	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+ACN+2H"	43.041102
"195846"	975.42396	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+2Na-H"	44.97116
"636499"	1440.65036	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+2Na-H"	44.97116
"1134536"	510.19756	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2Na-H"	44.97116
"176731"	488.215618	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+2Na"	45.978436
"617386"	720.828818	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+2Na"	45.978436
"1116640"	255.602418	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2Na"	45.978436
"1406607"	170.737370666667	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H+2Na"	46.985712
"1440909"	512.239146	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H+HCOOH"	47.012746
"223315"	493.24864	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+3H2O+2H"	56.04448
"1521953"	526.29119	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+IsoProp+H"	61.06479
"419451"	496.202588	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+Na+K"	61.952376
"779356"	728.815788	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+Na+K"	61.952376
"1674594"	263.589388	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Na+K"	61.952376
"254552"	994.468568	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+ACN+Na"	64.015768
"1228715"	529.242168	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+ACN+Na"	64.015768
"1715412"	529.265693	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+NH4+HCOOH"	64.039293
"1181860"	178.064684666667	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+3Na"	68.967654
"1654668"	534.221088	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Na+HCOOH"	68.994688
"162985"	1007.37184	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+2K-H"	76.91904
"598172"	1472.59824	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+2K-H"	76.91904
"1084871"	542.14544	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2K-H"	76.91904
"141561"	504.189558	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"2M+2K"	77.926316
"591831"	736.802758	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"3M+2K"	77.926316
"1075249"	271.576358	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2K"	77.926316
"1104082"	544.159992	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2K+H"	78.933592
"1339373"	544.247607	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+DMSO+H"	79.021207
"1009358"	548.286776	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2ACN+H"	83.060376
"1530406"	549.280408	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+IsoProp+Na+H"	84.054008
"1004152"	274.647026	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+2ACN+2H"	84.067652
"1600843"	550.195028	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+K+HCOOH"	84.968628
"1425773"	580.226538	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+H+CF3COOH"	115.000138
"1161524"	295.160301	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+3ACN+2H"	125.094202
"1711074"	597.253085	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+NH4+CF3COOH"	132.026685
"1645632"	602.20848	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+Na+CF3COOH"	136.98208
"1576909"	618.18242	"C10582"	"Codonocarpine"	"C26H31N3O5"	"465.2264"	"M+K+CF3COOH"	152.95602
"810557"	239.0582	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M"	0
"982998"	220.03981	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-H2O-H"	-19.01839
"72335"	158.364857333333	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M-3H"	-3.021828
"510801"	238.050924	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M-3H"	-3.021828
"889698"	78.6787906666667	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-3H"	-3.021828
"13376"	238.050924	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M-2H"	-2.014552
"453063"	357.580024	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M-2H"	-2.014552
"830986"	118.521824	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-2H"	-2.014552
"91706"	477.109124	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M-H"	-1.007276
"526282"	716.167324	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M-H"	-1.007276
"905177"	238.050924	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-H"	-1.007276
"56271"	494.135671	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M-2H+NH4"	16.019271
"495832"	733.193871	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M-2H+NH4"	16.019271
"871446"	255.077471	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-2H+NH4"	16.019271
"41532"	499.091066	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M-2H+Na"	20.974666
"477812"	738.149266	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M-2H+Na"	20.974666
"852340"	260.032866	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-2H+Na"	20.974666
"1622966"	260.032866	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Na-2H"	20.974666
"95848"	256.039263	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M-H+Cl"	33.962126
"534474"	375.568363	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M-H+Cl"	33.962126
"930382"	136.510163	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-H+Cl"	33.962126
"278785"	513.085802	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+Cl"	34.969402
"671208"	752.144002	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+Cl"	34.969402
"1280329"	274.027602	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Cl"	34.969402
"21792"	515.065006	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M-2H+K"	36.948606
"461353"	754.123206	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M-2H+K"	36.948606
"835509"	276.006806	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-2H+K"	36.948606
"1556445"	276.006806	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+K-2H"	36.948606
"943271"	284.056394	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-H+HCOOH"	44.998194
"362541"	523.114601	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+HCOOH-H"	44.998201
"346057"	537.130251	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+Hac-H"	59.013851
"1494898"	298.072051	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Hac-H"	59.013851
"959884"	306.038351	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-H+NaCOOH"	66.980151
"114263"	274.027602	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+2Cl"	69.938804
"550415"	393.556702	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+2Cl"	69.938804
"1024079"	154.498502	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2Cl"	69.938804
"1242930"	317.977085	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Br"	78.918885
"1304808"	320.033072	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Cl+HCOOH"	80.974872
"1320807"	342.015029	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Cl+NaCOOH"	102.956829
"911575"	352.043786	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M-H+CF3COOH"	112.985586
"1288890"	388.020464	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Cl+CF3COOH"	148.962264
"1368682"	204.045524	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H-2H2O"	-35.012676
"1383756"	222.0555	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H-H2O"	-17.0027
"284904"	479.123676	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+H"	1.007276
"676595"	718.181876	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+H"	1.007276
"1352213"	240.065476	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H"	1.007276
"127293"	240.065476	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+2H"	2.014552
"566487"	359.594576	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+2H"	2.014552
"1038571"	120.536376	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2H"	2.014552
"205368"	160.379409333333	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+3H"	3.021828
"644311"	240.065476	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+3H"	3.021828
"1163427"	80.6933426666667	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+3H"	3.021828
"427796"	496.150223	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+NH4"	18.033823
"786233"	735.208423	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+NH4"	18.033823
"1681390"	257.092023	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+NH4"	18.033823
"332298"	248.5787495	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+H+NH4"	19.041099
"723057"	368.1078495	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+H+NH4"	19.041099
"1477689"	129.0496495	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H+NH4"	19.041099
"393282"	501.105618	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+Na"	22.989218
"754689"	740.163818	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+Na"	22.989218
"1603517"	262.047418	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Na"	22.989218
"318540"	251.056447	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+H+Na"	23.996494
"707440"	370.585547	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+H+Na"	23.996494
"1461676"	131.527347	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H+Na"	23.996494
"1055853"	88.0206566666667	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2H+Na"	25.00377
"1261908"	272.091686	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+CH3OH+H"	33.033486
"384862"	517.079558	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+K"	38.963158
"748040"	756.137758	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+K"	38.963158
"1543531"	278.021358	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+K"	38.963158
"301797"	259.043417	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+H+K"	39.970434
"694218"	378.572517	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+H+K"	39.970434
"1458989"	139.514317	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H+K"	39.970434
"246495"	520.150226	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+ACN+H"	42.033826
"1220297"	281.092026	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+ACN+H"	42.033826
"1201994"	141.049651	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+ACN+2H"	43.041102
"194863"	523.08756	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+2Na-H"	44.97116
"633329"	762.14576	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+2Na-H"	44.97116
"1132460"	284.02936	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2Na-H"	44.97116
"175019"	262.047418	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+2Na"	45.978436
"616402"	381.576518	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+2Na"	45.978436
"1116629"	142.518318	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2Na"	45.978436
"1404529"	95.3479706666667	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H+2Na"	46.985712
"1437739"	286.070946	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H+HCOOH"	47.012746
"220873"	267.08044	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+3H2O+2H"	56.04448
"1520970"	300.12299	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+IsoProp+H"	61.06479
"416281"	270.034388	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+Na+K"	61.952376
"781653"	389.563488	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+Na+K"	61.952376
"1675797"	150.505288	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Na+K"	61.952376
"254661"	542.132168	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+ACN+Na"	64.015768
"1229918"	303.073968	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+ACN+Na"	64.015768
"1715888"	303.097493	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+NH4+HCOOH"	64.039293
"1179782"	102.675284666667	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+3Na"	68.967654
"1654776"	308.052888	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Na+HCOOH"	68.994688
"162002"	555.03544	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+2K-H"	76.91904
"602290"	794.09364	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+2K-H"	76.91904
"1084981"	315.97724	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2K-H"	76.91904
"142526"	278.021358	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"2M+2K"	77.926316
"585736"	397.550458	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"3M+2K"	77.926316
"1075359"	158.492258	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2K"	77.926316
"1102006"	317.991792	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2K+H"	78.933592
"1338389"	318.079407	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+DMSO+H"	79.021207
"1011291"	322.118576	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2ACN+H"	83.060376
"1530516"	323.112208	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+IsoProp+Na+H"	84.054008
"1002437"	161.562926	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+2ACN+2H"	84.067652
"1601316"	324.026828	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+K+HCOOH"	84.968628
"1425883"	354.058338	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+H+CF3COOH"	115.000138
"1161270"	182.076201	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+3ACN+2H"	125.094202
"1712555"	371.084885	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+NH4+CF3COOH"	132.026685
"1645743"	376.04028	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+Na+CF3COOH"	136.98208
"1580299"	392.01422	"C10583"	"Crinasiadine"	"C14H9NO3"	"239.0582"	"M+K+CF3COOH"	152.95602
"804106"	359.1158	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M"	0
"983108"	340.09741	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-H2O-H"	-19.01839
"71352"	238.403257333333	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M-3H"	-3.021828
"508725"	358.108524	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M-3H"	-3.021828
"889808"	118.697990666667	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-3H"	-3.021828
"13486"	358.108524	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M-2H"	-2.014552
"453294"	537.666424	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M-2H"	-2.014552
"829028"	178.550624	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-2H"	-2.014552
"91695"	717.224324	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M-H"	-1.007276
"530766"	1076.340124	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M-H"	-1.007276
"905287"	358.108524	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-H"	-1.007276
"60633"	734.250871	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M-2H+NH4"	16.019271
"498128"	1093.366671	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M-2H+NH4"	16.019271
"872649"	375.135071	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-2H+NH4"	16.019271
"39455"	739.206266	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M-2H+Na"	20.974666
"484483"	1098.322066	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M-2H+Na"	20.974666
"850261"	380.090466	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-2H+Na"	20.974666
"1621979"	380.090466	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Na-2H"	20.974666
"100696"	376.096863	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M-H+Cl"	33.962126
"538069"	555.654763	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M-H+Cl"	33.962126
"933774"	196.538963	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-H+Cl"	33.962126
"278896"	753.201002	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+Cl"	34.969402
"665849"	1112.316802	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+Cl"	34.969402
"1285181"	394.085202	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Cl"	34.969402
"24093"	755.180206	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M-2H+K"	36.948606
"461465"	1114.296006	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M-2H+K"	36.948606
"838172"	396.064406	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-2H+K"	36.948606
"1560565"	396.064406	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+K-2H"	36.948606
"949541"	404.113994	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-H+HCOOH"	44.998194
"369946"	763.229801	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+HCOOH-H"	44.998201
"356016"	777.245451	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+Hac-H"	59.013851
"1495374"	418.129651	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Hac-H"	59.013851
"964737"	426.095951	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-H+NaCOOH"	66.980151
"115833"	394.085202	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+2Cl"	69.938804
"552841"	573.643102	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+2Cl"	69.938804
"1027474"	214.527302	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2Cl"	69.938804
"1248146"	438.034685	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Br"	78.918885
"1304760"	440.090672	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Cl+HCOOH"	80.974872
"1325903"	462.072629	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Cl+NaCOOH"	102.956829
"914774"	472.101386	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M-H+CF3COOH"	112.985586
"1288805"	508.078064	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Cl+CF3COOH"	148.962264
"1371830"	324.103124	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H-2H2O"	-35.012676
"1384589"	342.1131	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H-H2O"	-17.0027
"283185"	719.238876	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+H"	1.007276
"678890"	1078.354676	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+H"	1.007276
"1353782"	360.123076	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H"	1.007276
"129226"	360.123076	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+2H"	2.014552
"566595"	539.680976	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+2H"	2.014552
"1039046"	180.565176	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2H"	2.014552
"205032"	240.417809333333	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+3H"	3.021828
"644681"	360.123076	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+3H"	3.021828
"1163779"	120.712542666667	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+3H"	3.021828
"427906"	736.265423	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+NH4"	18.033823
"787072"	1095.381223	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+NH4"	18.033823
"1682311"	377.149623	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+NH4"	18.033823
"332774"	368.6363495	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+H+NH4"	19.041099
"725197"	548.1942495	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+H+NH4"	19.041099
"1478165"	189.0784495	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H+NH4"	19.041099
"395509"	741.220818	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+Na"	22.989218
"757962"	1100.336618	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+Na"	22.989218
"1607519"	382.105018	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Na"	22.989218
"320837"	371.114047	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+H+Na"	23.996494
"708038"	550.671947	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+H+Na"	23.996494
"1462106"	191.556147	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H+Na"	23.996494
"1054741"	128.039856666667	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2H+Na"	25.00377
"1260925"	392.149286	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+CH3OH+H"	33.033486
"381690"	757.194758	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+K"	38.963158
"744870"	1116.310558	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+K"	38.963158
"1540844"	398.078958	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+K"	38.963158
"300814"	379.101017	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+H+K"	39.970434
"695055"	558.658917	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+H+K"	39.970434
"1452532"	199.543117	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H+K"	39.970434
"238946"	760.265426	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+ACN+H"	42.033826
"1222591"	401.149626	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+ACN+H"	42.033826
"1201010"	201.078451	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+ACN+2H"	43.041102
"196065"	763.20276	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+2Na-H"	44.97116
"633439"	1122.31856	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+2Na-H"	44.97116
"1132569"	404.08696	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2Na-H"	44.97116
"174760"	382.105018	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+2Na"	45.978436
"614325"	561.662918	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+2Na"	45.978436
"1116370"	202.547118	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2Na"	45.978436
"1402451"	135.367170666667	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H+2Na"	46.985712
"1432014"	406.128546	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H+HCOOH"	47.012746
"220534"	387.13804	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+3H2O+2H"	56.04448
"1514518"	420.18059	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+IsoProp+H"	61.06479
"413110"	390.091988	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+Na+K"	61.952376
"774471"	569.649888	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+Na+K"	61.952376
"1668978"	210.534088	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Na+K"	61.952376
"254037"	782.247368	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+ACN+Na"	64.015768
"1226744"	423.131568	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+ACN+Na"	64.015768
"1713197"	423.155093	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+NH4+HCOOH"	64.039293
"1180983"	142.694484666667	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+3Na"	68.967654
"1653792"	428.110488	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Na+HCOOH"	68.994688
"162112"	795.15064	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+2K-H"	76.91904
"604587"	1154.26644	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+2K-H"	76.91904
"1085452"	436.03484	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2K-H"	76.91904
"142997"	398.078958	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"2M+2K"	77.926316
"584753"	577.636858	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"3M+2K"	77.926316
"1074370"	218.521058	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2K"	77.926316
"1102472"	438.049392	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2K+H"	78.933592
"1337768"	438.137007	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+DMSO+H"	79.021207
"1010308"	442.176176	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2ACN+H"	83.060376
"1530626"	443.169808	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+IsoProp+Na+H"	84.054008
"1002545"	221.591726	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+2ACN+2H"	84.067652
"1599239"	444.084428	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+K+HCOOH"	84.968628
"1425993"	474.115938	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+H+CF3COOH"	115.000138
"1161380"	242.105001	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+3ACN+2H"	125.094202
"1709837"	491.142485	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+NH4+CF3COOH"	132.026685
"1642572"	496.09788	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+Na+CF3COOH"	136.98208
"1573849"	512.07182	"C10584"	"Crinasiatine"	"C22H17NO4"	"359.1158"	"M+K+CF3COOH"	152.95602
"805309"	435.2046	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M"	0
"986498"	416.18621	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-H2O-H"	-19.01839
"73648"	289.129124	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M-3H"	-3.021828
"511021"	434.197324	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M-3H"	-3.021828
"889918"	144.060924	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-3H"	-3.021828
"13960"	434.197324	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M-2H"	-2.014552
"454741"	651.799624	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M-2H"	-2.014552
"830960"	216.595024	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-2H"	-2.014552
"93632"	869.401924	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M-H"	-1.007276
"533757"	1304.606524	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M-H"	-1.007276
"911233"	434.197324	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-H"	-1.007276
"62447"	886.428471	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M-2H+NH4"	16.019271
"500425"	1321.633071	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M-2H+NH4"	16.019271
"872759"	451.223871	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-2H+NH4"	16.019271
"39565"	891.383866	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M-2H+Na"	20.974666
"483500"	1326.588466	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M-2H+Na"	20.974666
"852558"	456.179266	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-2H+Na"	20.974666
"1623183"	456.179266	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Na-2H"	20.974666
"99713"	452.185663	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M-H+Cl"	33.962126
"540366"	669.787963	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M-H+Cl"	33.962126
"933884"	234.583363	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-H+Cl"	33.962126
"280099"	905.378602	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+Cl"	34.969402
"668145"	1340.583202	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+Cl"	34.969402
"1285291"	470.174002	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Cl"	34.969402
"26389"	907.357806	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M-2H+K"	36.948606
"464854"	1342.562406	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M-2H+K"	36.948606
"841560"	472.153206	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-2H+K"	36.948606
"1563956"	472.153206	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+K-2H"	36.948606
"950745"	480.202794	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-H+HCOOH"	44.998194
"368961"	915.407401	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+HCOOH-H"	44.998201
"352846"	929.423051	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+Hac-H"	59.013851
"1495483"	494.218451	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Hac-H"	59.013851
"963753"	502.184751	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-H+NaCOOH"	66.980151
"118129"	470.174002	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+2Cl"	69.938804
"554773"	687.776302	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+2Cl"	69.938804
"1028677"	252.571702	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2Cl"	69.938804
"1246069"	514.123485	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Br"	78.918885
"1305235"	516.179472	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Cl+HCOOH"	80.974872
"1322732"	538.161429	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Cl+NaCOOH"	102.956829
"913789"	548.190186	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M-H+CF3COOH"	112.985586
"1288753"	584.166864	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Cl+CF3COOH"	148.962264
"1367481"	400.191924	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H-2H2O"	-35.012676
"1382805"	418.2019	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H-H2O"	-17.0027
"283294"	871.416476	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+H"	1.007276
"675958"	1306.621076	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+H"	1.007276
"1351384"	436.211876	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H"	1.007276
"127149"	436.211876	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+2H"	2.014552
"566706"	653.814176	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+2H"	2.014552
"1039885"	218.609576	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2H"	2.014552
"204540"	291.143676	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+3H"	3.021828
"644790"	436.211876	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+3H"	3.021828
"1163159"	146.075476	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+3H"	3.021828
"424366"	888.443023	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+NH4"	18.033823
"786453"	1323.647623	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+NH4"	18.033823
"1682056"	453.238423	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+NH4"	18.033823
"331424"	444.7251495	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+H+NH4"	19.041099
"724208"	662.3274495	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+H+NH4"	19.041099
"1477787"	227.1228495	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H+NH4"	19.041099
"393552"	893.398418	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+Na"	22.989218
"756006"	1328.603018	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+Na"	22.989218
"1604713"	458.193818	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Na"	22.989218
"318759"	447.202847	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+H+Na"	23.996494
"707904"	664.805147	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+H+Na"	23.996494
"1465013"	229.600547	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H+Na"	23.996494
"1053436"	153.40279	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2H+Na"	25.00377
"1264314"	468.238086	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+CH3OH+H"	33.033486
"383985"	909.372358	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+K"	38.963158
"743887"	1344.576958	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+K"	38.963158
"1544843"	474.167758	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+K"	38.963158
"302382"	455.189817	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+H+K"	39.970434
"695529"	672.792117	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+H+K"	39.970434
"1454829"	237.587517	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H+K"	39.970434
"240149"	912.443026	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+ACN+H"	42.033826
"1223794"	477.238426	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+ACN+H"	42.033826
"1202212"	239.122851	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+ACN+2H"	43.041102
"193988"	915.38036	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+2Na-H"	44.97116
"632455"	1350.58496	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+2Na-H"	44.97116
"1135959"	480.17576	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2Na-H"	44.97116
"178155"	458.193818	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+2Na"	45.978436
"614433"	675.796118	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+2Na"	45.978436
"1117942"	240.591518	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2Na"	45.978436
"1399032"	160.730104	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H+2Na"	46.985712
"1430217"	482.217346	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H+HCOOH"	47.012746
"220196"	463.22684	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+3H2O+2H"	56.04448
"1515722"	496.26939	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+IsoProp+H"	61.06479
"414314"	466.180788	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+Na+K"	61.952376
"771300"	683.783088	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+Na+K"	61.952376
"1666534"	248.578488	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Na+K"	61.952376
"253784"	934.424968	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+ACN+Na"	64.015768
"1225877"	499.220368	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+ACN+Na"	64.015768
"1712867"	499.243893	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+NH4+HCOOH"	64.039293
"1179876"	168.057418	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+3Na"	68.967654
"1652080"	504.199288	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Na+HCOOH"	68.994688
"158697"	947.32824	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+2K-H"	76.91904
"598013"	1382.53284	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+2K-H"	76.91904
"1084711"	512.12364	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2K-H"	76.91904
"142864"	474.167758	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"2M+2K"	77.926316
"584498"	691.770058	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"3M+2K"	77.926316
"1071565"	256.565458	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2K"	77.926316
"1101123"	514.138192	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2K+H"	78.933592
"1338243"	514.225807	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+DMSO+H"	79.021207
"1010418"	518.264976	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2ACN+H"	83.060376
"1530736"	519.258608	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+IsoProp+Na+H"	84.054008
"1004598"	259.636126	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+2ACN+2H"	84.067652
"1597161"	520.173228	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+K+HCOOH"	84.968628
"1425008"	550.204738	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+H+CF3COOH"	115.000138
"1157480"	280.149401	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+3ACN+2H"	125.094202
"1705937"	567.231285	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+NH4+CF3COOH"	132.026685
"1636486"	572.18668	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+Na+CF3COOH"	136.98208
"1571527"	588.16062	"C10585"	"Cryogenine;Lythran-12-one 45-dimethoxy-2-hydroxy- (10-alpha)-;Vertine"	"C26H29NO5"	"435.2046"	"M+K+CF3COOH"	152.95602
"804326"	377.1991	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M"	0
"985515"	358.18071	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-H2O-H"	-19.01839
"73758"	250.458790666667	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M-3H"	-3.021828
"515506"	376.191824	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M-3H"	-3.021828
"895377"	124.725757333333	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-3H"	-3.021828
"14070"	376.191824	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M-2H"	-2.014552
"455093"	564.791374	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M-2H"	-2.014552
"828884"	187.592274	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-2H"	-2.014552
"92523"	753.390924	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M-H"	-1.007276
"533174"	1130.590024	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M-H"	-1.007276
"910935"	376.191824	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-H"	-1.007276
"62640"	770.417471	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M-2H+NH4"	16.019271
"500535"	1147.616571	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M-2H+NH4"	16.019271
"873962"	393.218371	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-2H+NH4"	16.019271
"39675"	775.372866	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M-2H+Na"	20.974666
"482517"	1152.571966	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M-2H+Na"	20.974666
"852668"	398.173766	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-2H+Na"	20.974666
"1621106"	398.173766	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Na-2H"	20.974666
"99823"	394.180163	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M-H+Cl"	33.962126
"540476"	582.779713	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M-H+Cl"	33.962126
"933994"	205.580613	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-H+Cl"	33.962126
"280576"	789.367602	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+Cl"	34.969402
"669349"	1166.566702	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+Cl"	34.969402
"1284672"	412.168502	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Cl"	34.969402
"27228"	791.346806	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M-2H+K"	36.948606
"464964"	1168.545906	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M-2H+K"	36.948606
"839484"	414.147706	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-2H+K"	36.948606
"1560786"	414.147706	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+K-2H"	36.948606
"953042"	422.197294	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-H+HCOOH"	44.998194
"369072"	799.396401	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+HCOOH-H"	44.998201
"348580"	813.412051	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+Hac-H"	59.013851
"1496686"	436.212951	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Hac-H"	59.013851
"966050"	444.179251	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-H+NaCOOH"	66.980151
"119334"	412.168502	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+2Cl"	69.938804
"555977"	600.768052	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+2Cl"	69.938804
"1029881"	223.568952	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2Cl"	69.938804
"1246907"	456.117985	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Br"	78.918885
"1308626"	458.173972	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Cl+HCOOH"	80.974872
"1323206"	480.155929	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Cl+NaCOOH"	102.956829
"913899"	490.184686	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M-H+CF3COOH"	112.985586
"1289512"	526.161364	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Cl+CF3COOH"	148.962264
"1367673"	342.186424	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H-2H2O"	-35.012676
"1383714"	360.1964	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H-H2O"	-17.0027
"284137"	755.405476	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+H"	1.007276
"675947"	1132.604576	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+H"	1.007276
"1351481"	378.206376	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H"	1.007276
"125862"	378.206376	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+2H"	2.014552
"566451"	566.805926	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+2H"	2.014552
"1041454"	189.606826	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2H"	2.014552
"204490"	252.473342666667	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+3H"	3.021828
"644457"	378.206376	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+3H"	3.021828
"1163150"	126.740309333333	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+3H"	3.021828
"432500"	772.432023	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+NH4"	18.033823
"785727"	1149.631123	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+NH4"	18.033823
"1681724"	395.232923	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+NH4"	18.033823
"329980"	386.7196495	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+H+NH4"	19.041099
"722818"	575.3191995	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+H+NH4"	19.041099
"1477055"	198.1200995	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H+NH4"	19.041099
"393298"	777.387418	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+Na"	22.989218
"756726"	1154.586518	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+Na"	22.989218
"1604823"	400.188318	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Na"	22.989218
"318869"	389.197347	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+H+Na"	23.996494
"709111"	577.796897	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+H+Na"	23.996494
"1466217"	200.597797	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H+Na"	23.996494
"1057273"	134.067623333333	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2H+Na"	25.00377
"1265518"	410.232586	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+CH3OH+H"	33.033486
"384095"	793.361358	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+K"	38.963158
"747276"	1170.560458	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+K"	38.963158
"1544953"	416.162258	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+K"	38.963158
"302492"	397.184317	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+H+K"	39.970434
"693085"	585.783867	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+H+K"	39.970434
"1449470"	208.584767	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H+K"	39.970434
"239166"	796.432026	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+ACN+H"	42.033826
"1222812"	419.232926	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+ACN+H"	42.033826
"1203415"	210.120101	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+ACN+2H"	43.041102
"196285"	799.36936	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+2Na-H"	44.97116
"632565"	1176.56846	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+2Na-H"	44.97116
"1140443"	422.17026	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2Na-H"	44.97116
"178265"	400.188318	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+2Na"	45.978436
"614179"	588.787868	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+2Na"	45.978436
"1121332"	211.588768	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2Na"	45.978436
"1399141"	141.394937333333	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H+2Na"	46.985712
"1432598"	424.211846	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H+HCOOH"	47.012746
"220834"	405.22134	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+3H2O+2H"	56.04448
"1521297"	438.26389	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+IsoProp+H"	61.06479
"417704"	408.175288	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+Na+K"	61.952376
"775419"	596.774838	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+Na+K"	61.952376
"1667374"	219.575738	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Na+K"	61.952376
"253894"	818.413968	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+ACN+Na"	64.015768
"1225723"	441.214868	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+ACN+Na"	64.015768
"1712895"	441.238393	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+NH4+HCOOH"	64.039293
"1178811"	148.722251333333	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+3Na"	68.967654
"1650365"	446.193788	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Na+HCOOH"	68.994688
"158322"	831.31724	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+2K-H"	76.91904
"600799"	1208.51634	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+2K-H"	76.91904
"1085188"	454.11814	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2K-H"	76.91904
"142000"	416.162258	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"2M+2K"	77.926316
"583879"	604.761808	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"3M+2K"	77.926316
"1071310"	227.562708	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2K"	77.926316
"1101599"	456.132692	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2K+H"	78.933592
"1339446"	456.220307	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+DMSO+H"	79.021207
"1009799"	460.259476	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2ACN+H"	83.060376
"1527563"	461.253108	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+IsoProp+Na+H"	84.054008
"1003857"	230.633376	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+2ACN+2H"	84.067652
"1600917"	462.167728	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+K+HCOOH"	84.968628
"1427302"	492.199238	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+H+CF3COOH"	115.000138
"1157590"	251.146651	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+3ACN+2H"	125.094202
"1706047"	509.225785	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+NH4+CF3COOH"	132.026685
"1636232"	514.18118	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+Na+CF3COOH"	136.98208
"1571556"	530.15512	"C10586"	"Cryptopleurine"	"C24H27NO3"	"377.1991"	"M+K+CF3COOH"	152.95602
"801762"	285.1477	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M"	0
"981251"	266.12931	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-H2O-H"	-19.01839
"70587"	189.091190666667	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M-3H"	-3.021828
"510148"	284.140424	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M-3H"	-3.021828
"886858"	94.0419573333333	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-3H"	-3.021828
"3244"	284.140424	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M-2H"	-2.014552
"440046"	426.714274	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M-2H"	-2.014552
"818540"	141.566574	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-2H"	-2.014552
"82786"	569.288124	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M-H"	-1.007276
"533282"	854.435824	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M-H"	-1.007276
"905616"	284.140424	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-H"	-1.007276
"61816"	586.314671	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M-2H+NH4"	16.019271
"498457"	871.462371	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M-2H+NH4"	16.019271
"868604"	301.166971	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-2H+NH4"	16.019271
"40879"	591.270066	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M-2H+Na"	20.974666
"474972"	876.417766	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M-2H+Na"	20.974666
"852778"	306.122366	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-2H+Na"	20.974666
"1621216"	306.122366	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Na-2H"	20.974666
"99933"	302.128763	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M-H+Cl"	33.962126
"537306"	444.702613	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M-H+Cl"	33.962126
"937384"	159.554913	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-H+Cl"	33.962126
"277035"	605.264802	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+Cl"	34.969402
"672376"	890.412502	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+Cl"	34.969402
"1284053"	320.117102	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Cl"	34.969402
"26609"	607.244006	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M-2H+K"	36.948606
"462888"	892.391706	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M-2H+K"	36.948606
"838502"	322.096306	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-2H+K"	36.948606
"1561990"	322.096306	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+K-2H"	36.948606
"952059"	330.145894	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-H+HCOOH"	44.998194
"369181"	615.293601	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+HCOOH-H"	44.998201
"349783"	629.309251	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+Hac-H"	59.013851
"1495703"	344.161551	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Hac-H"	59.013851
"965067"	352.127851	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-H+NaCOOH"	66.980151
"119444"	320.117102	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+2Cl"	69.938804
"555723"	462.690952	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+2Cl"	69.938804
"1029991"	177.543252	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2Cl"	69.938804
"1247746"	364.066585	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Br"	78.918885
"1309830"	366.122572	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Cl+HCOOH"	80.974872
"1327327"	388.104529	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Cl+NaCOOH"	102.956829
"914739"	398.133286	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M-H+CF3COOH"	112.985586
"1295092"	434.109964	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Cl+CF3COOH"	148.962264
"1372159"	250.135024	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H-2H2O"	-35.012676
"1384554"	268.145	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H-H2O"	-17.0027
"283316"	571.302676	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+H"	1.007276
"676056"	856.450376	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+H"	1.007276
"1351469"	286.154976	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H"	1.007276
"125977"	286.154976	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+2H"	2.014552
"565909"	428.728826	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+2H"	2.014552
"1037551"	143.581126	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2H"	2.014552
"204375"	191.105742666667	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+3H"	3.021828
"644557"	286.154976	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+3H"	3.021828
"1162859"	96.0565093333333	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+3H"	3.021828
"429330"	588.329223	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+NH4"	18.033823
"785776"	873.476923	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+NH4"	18.033823
"1682037"	303.181523	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+NH4"	18.033823
"330020"	294.6682495	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+H+NH4"	19.041099
"723454"	437.2420995	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+H+NH4"	19.041099
"1477595"	152.0943995	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H+NH4"	19.041099
"393120"	593.284618	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+Na"	22.989218
"754517"	878.432318	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+Na"	22.989218
"1602789"	308.136918	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Na"	22.989218
"314969"	297.145947	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+H+Na"	23.996494
"707232"	439.719797	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+H+Na"	23.996494
"1465598"	154.572097	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H+Na"	23.996494
"1059569"	103.383823333333	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2H+Na"	25.00377
"1263438"	318.181186	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+CH3OH+H"	33.033486
"382012"	609.258558	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+K"	38.963158
"745197"	894.406258	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+K"	38.963158
"1543239"	324.110858	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+K"	38.963158
"304424"	305.132917	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+H+K"	39.970434
"692105"	447.706767	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+H+K"	39.970434
"1449578"	162.559067	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H+K"	39.970434
"239276"	612.329226	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+ACN+H"	42.033826
"1218547"	327.181526	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+ACN+H"	42.033826
"1202432"	164.094401	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+ACN+2H"	43.041102
"196395"	615.26656	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+2Na-H"	44.97116
"634862"	900.41426	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+2Na-H"	44.97116
"1137273"	330.11886	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2Na-H"	44.97116
"181655"	308.136918	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+2Na"	45.978436
"613925"	450.710768	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+2Na"	45.978436
"1116459"	165.563068	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2Na"	45.978436
"1398887"	110.711137333333	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H+2Na"	46.985712
"1430764"	332.160446	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H+HCOOH"	47.012746
"220256"	313.16994	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+3H2O+2H"	56.04448
"1519221"	346.21249	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+IsoProp+H"	61.06479
"421094"	316.123888	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+Na+K"	61.952376
"775529"	458.697738	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+Na+K"	61.952376
"1667484"	173.550038	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Na+K"	61.952376
"251816"	634.311168	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+ACN+Na"	64.015768
"1226467"	349.163468	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+ACN+Na"	64.015768
"1712808"	349.186993	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+NH4+HCOOH"	64.039293
"1178841"	118.038451333333	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+3Na"	68.967654
"1652664"	354.142388	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Na+HCOOH"	68.994688
"159526"	647.21444	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+2K-H"	76.91904
"600909"	932.36214	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+2K-H"	76.91904
"1085177"	362.06674	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2K-H"	76.91904
"144424"	324.110858	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"2M+2K"	77.926316
"582897"	466.684708	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"3M+2K"	77.926316
"1070813"	181.537008	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2K"	77.926316
"1101345"	364.081292	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2K+H"	78.933592
"1339556"	364.168907	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+DMSO+H"	79.021207
"1010638"	368.208076	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2ACN+H"	83.060376
"1527673"	369.201708	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+IsoProp+Na+H"	84.054008
"1003967"	184.607676	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+2ACN+2H"	84.067652
"1600907"	370.116328	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+K+HCOOH"	84.968628
"1428506"	400.147838	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+H+CF3COOH"	115.000138
"1159887"	205.120951	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+3ACN+2H"	125.094202
"1706157"	417.174385	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+NH4+CF3COOH"	132.026685
"1639622"	422.12978	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+Na+CF3COOH"	136.98208
"1571505"	438.10372	"C10587"	"Cynometrine"	"C16H19N3O2"	"285.1477"	"M+K+CF3COOH"	152.95602
"811107"	195.0895	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M"	0
"987924"	176.07111	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-H2O-H"	-19.01839
"75802"	129.052390666667	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M-3H"	-3.021828
"510258"	194.082224	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M-3H"	-3.021828
"894624"	64.0225573333333	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-3H"	-3.021828
"5542"	194.082224	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M-2H"	-2.014552
"445101"	291.626974	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M-2H"	-2.014552
"823997"	96.537474	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-2H"	-2.014552
"82896"	389.171724	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M-H"	-1.007276
"531208"	584.261224	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M-H"	-1.007276
"907918"	194.082224	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-H"	-1.007276
"59377"	406.198271	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M-2H+NH4"	16.019271
"498567"	601.287771	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M-2H+NH4"	16.019271
"867621"	211.108771	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-2H+NH4"	16.019271
"37709"	411.153666	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M-2H+Na"	20.974666
"475082"	606.243166	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M-2H+Na"	20.974666
"853981"	216.064166	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-2H+Na"	20.974666
"1621326"	216.064166	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Na-2H"	20.974666
"100043"	212.070563	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M-H+Cl"	33.962126
"540696"	309.615313	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M-H+Cl"	33.962126
"937494"	114.525813	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-H+Cl"	33.962126
"277145"	425.148402	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+Cl"	34.969402
"671394"	620.237902	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+Cl"	34.969402
"1283071"	230.058902	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Cl"	34.969402
"24533"	427.127606	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M-2H+K"	36.948606
"461905"	622.217106	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M-2H+K"	36.948606
"838612"	232.038106	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-2H+K"	36.948606
"1561006"	232.038106	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+K-2H"	36.948606
"949982"	240.087694	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-H+HCOOH"	44.998194
"370384"	435.177201	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+HCOOH-H"	44.998201
"350989"	449.192851	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+Hac-H"	59.013851
"1495814"	254.103351	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Hac-H"	59.013851
"965177"	262.069651	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-H+NaCOOH"	66.980151
"118461"	230.058902	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+2Cl"	69.938804
"556926"	327.603652	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+2Cl"	69.938804
"1030101"	132.514152	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2Cl"	69.938804
"1247494"	274.008385	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Br"	78.918885
"1311034"	276.064372	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Cl+HCOOH"	80.974872
"1330718"	298.046329	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Cl+NaCOOH"	102.956829
"921776"	308.075086	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M-H+CF3COOH"	112.985586
"1297389"	344.051764	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Cl+CF3COOH"	148.962264
"1372269"	160.076824	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H-2H2O"	-35.012676
"1383573"	178.0868	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H-H2O"	-17.0027
"283629"	391.186276	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+H"	1.007276
"676208"	586.275776	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+H"	1.007276
"1352398"	196.096776	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H"	1.007276
"125715"	196.096776	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+2H"	2.014552
"566182"	293.641526	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+2H"	2.014552
"1038394"	98.552026	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2H"	2.014552
"206295"	131.066942666667	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+3H"	3.021828
"646948"	196.096776	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+3H"	3.021828
"1162838"	66.0371093333333	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+3H"	3.021828
"431628"	408.212823	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+NH4"	18.033823
"787155"	603.302323	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+NH4"	18.033823
"1684579"	213.123323	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+NH4"	18.033823
"330096"	204.6100495	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+H+NH4"	19.041099
"724171"	302.1547995	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+H+NH4"	19.041099
"1477626"	107.0652995	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H+NH4"	19.041099
"393109"	413.168218	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+Na"	22.989218
"754427"	608.257718	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+Na"	22.989218
"1603012"	218.078718	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Na"	22.989218
"314631"	207.087747	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+H+Na"	23.996494
"707375"	304.632497	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+H+Na"	23.996494
"1467528"	109.542997	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H+Na"	23.996494
"1054212"	73.3644233333333	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2H+Na"	25.00377
"1263548"	228.122986	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+CH3OH+H"	33.033486
"379935"	429.142158	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+K"	38.963158
"748222"	624.231658	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+K"	38.963158
"1544077"	234.052658	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+K"	38.963158
"303440"	215.074717	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+H+K"	39.970434
"693308"	312.619467	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+H+K"	39.970434
"1445680"	117.529967	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H+K"	39.970434
"237197"	432.212826	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+ACN+H"	42.033826
"1215376"	237.123326	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+ACN+H"	42.033826
"1202542"	119.065301	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+ACN+2H"	43.041102
"192131"	435.15016	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+2Na-H"	44.97116
"632785"	630.23966	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+2Na-H"	44.97116
"1136288"	240.06066	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2Na-H"	44.97116
"175203"	218.078718	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+2Na"	45.978436
"613382"	315.623468	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+2Na"	45.978436
"1116206"	120.533968	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2Na"	45.978436
"1398709"	80.6917373333333	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H+2Na"	46.985712
"1433913"	242.102246	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H+HCOOH"	47.012746
"220365"	223.11174	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+3H2O+2H"	56.04448
"1512404"	256.15429	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+IsoProp+H"	61.06479
"415736"	226.065688	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+Na+K"	61.952376
"774546"	323.610438	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+Na+K"	61.952376
"1667594"	128.520938	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Na+K"	61.952376
"251723"	454.194768	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+ACN+Na"	64.015768
"1225801"	259.105268	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+ACN+Na"	64.015768
"1713269"	259.128793	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+NH4+HCOOH"	64.039293
"1179602"	88.0190513333333	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+3Na"	68.967654
"1652775"	264.084188	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Na+HCOOH"	68.994688
"158543"	467.09804	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+2K-H"	76.91904
"599560"	662.18754	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+2K-H"	76.91904
"1088447"	272.00854	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2K-H"	76.91904
"142712"	234.052658	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"2M+2K"	77.926316
"583371"	331.597408	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"3M+2K"	77.926316
"1070802"	136.507908	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2K"	77.926316
"1101821"	274.023092	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2K+H"	78.933592
"1340031"	274.110707	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+DMSO+H"	79.021207
"1008926"	278.149876	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2ACN+H"	83.060376
"1526325"	279.143508	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+IsoProp+Na+H"	84.054008
"991074"	139.578576	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+2ACN+2H"	84.067652
"1601502"	280.058128	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+K+HCOOH"	84.968628
"1428860"	310.089638	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+H+CF3COOH"	115.000138
"1154529"	160.091851	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+3ACN+2H"	125.094202
"1702987"	327.116185	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+NH4+CF3COOH"	132.026685
"1639732"	332.07158	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+Na+CF3COOH"	136.98208
"1574289"	348.04552	"C10588"	"Damascenine"	"C10H13NO3"	"195.0895"	"M+K+CF3COOH"	152.95602
"811217"	437.2202	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M"	0
"978190"	418.20181	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-H2O-H"	-19.01839
"71902"	290.472857333333	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M-3H"	-3.021828
"510368"	436.212924	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M-3H"	-3.021828
"895099"	144.732790666667	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-3H"	-3.021828
"7839"	436.212924	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M-2H"	-2.014552
"448491"	654.823024	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M-2H"	-2.014552
"821920"	217.602824	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-2H"	-2.014552
"83006"	873.433124	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M-H"	-1.007276
"530954"	1310.653324	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M-H"	-1.007276
"908025"	436.212924	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-H"	-1.007276
"56930"	890.459671	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M-2H+NH4"	16.019271
"499771"	1327.679871	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M-2H+NH4"	16.019271
"867731"	453.239471	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-2H+NH4"	16.019271
"35266"	895.415066	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M-2H+Na"	20.974666
"478472"	1332.635266	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M-2H+Na"	20.974666
"859558"	458.194866	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-2H+Na"	20.974666
"1624716"	458.194866	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Na-2H"	20.974666
"103433"	454.201263	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M-H+Cl"	33.962126
"537526"	672.811363	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M-H+Cl"	33.962126
"940884"	235.591163	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-H+Cl"	33.962126
"279442"	909.409802	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+Cl"	34.969402
"671872"	1346.630002	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+Cl"	34.969402
"1284273"	472.189602	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Cl"	34.969402
"25738"	911.389006	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M-2H+K"	36.948606
"463109"	1348.609206	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M-2H+K"	36.948606
"839814"	474.168806	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-2H+K"	36.948606
"1564397"	474.168806	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+K-2H"	36.948606
"953374"	482.218394	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-H+HCOOH"	44.998194
"370496"	919.438601	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+HCOOH-H"	44.998201
"351099"	933.454251	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+Hac-H"	59.013851
"1498475"	496.234051	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Hac-H"	59.013851
"965288"	504.200351	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-H+NaCOOH"	66.980151
"116384"	472.189602	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+2Cl"	69.938804
"555578"	690.799702	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+2Cl"	69.938804
"1028024"	253.579502	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2Cl"	69.938804
"1245778"	516.139085	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Br"	78.918885
"1312238"	518.195072	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Cl+HCOOH"	80.974872
"1322444"	540.177029	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Cl+NaCOOH"	102.956829
"925167"	550.205786	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M-H+CF3COOH"	112.985586
"1296406"	586.182464	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Cl+CF3COOH"	148.962264
"1373472"	402.207524	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H-2H2O"	-35.012676
"1384778"	420.2175	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H-H2O"	-17.0027
"290666"	875.447676	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+H"	1.007276
"679076"	1312.667876	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+H"	1.007276
"1359436"	438.227476	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H"	1.007276
"127219"	438.227476	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+2H"	2.014552
"575170"	656.837576	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+2H"	2.014552
"1038380"	219.617376	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2H"	2.014552
"210779"	292.487409333333	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+3H"	3.021828
"648152"	438.227476	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+3H"	3.021828
"1166278"	146.747342666667	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+3H"	3.021828
"431739"	892.474223	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+NH4"	18.033823
"791639"	1329.694423	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+NH4"	18.033823
"1684689"	455.254023	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+NH4"	18.033823
"330069"	446.7407495	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+H+NH4"	19.041099
"723920"	665.3508495	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+H+NH4"	19.041099
"1478109"	228.1306495	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H+NH4"	19.041099
"395331"	897.429618	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+Na"	22.989218
"755958"	1334.649818	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+Na"	22.989218
"1605155"	460.209418	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Na"	22.989218
"315555"	449.218447	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+H+Na"	23.996494
"707609"	667.828547	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+H+Na"	23.996494
"1466910"	230.608347	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H+Na"	23.996494
"1057602"	154.074656666667	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2H+Na"	25.00377
"1260375"	470.253686	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+CH3OH+H"	33.033486
"381136"	913.403558	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+K"	38.963158
"747602"	1350.623758	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+K"	38.963158
"1547467"	476.183358	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+K"	38.963158
"300632"	457.205417	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+H+K"	39.970434
"692202"	675.815517	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+H+K"	39.970434
"1446873"	238.595317	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H+K"	39.970434
"243861"	916.474226	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+ACN+H"	42.033826
"1217671"	479.254026	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+ACN+H"	42.033826
"1201559"	240.130651	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+ACN+2H"	43.041102
"195522"	919.41156	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+2Na-H"	44.97116
"636175"	1356.63176	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+2Na-H"	44.97116
"1140773"	482.19136	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2Na-H"	44.97116
"180781"	460.209418	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+2Na"	45.978436
"612977"	678.819518	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+2Na"	45.978436
"1124942"	241.599318	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2Na"	45.978436
"1402997"	161.401970666667	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H+2Na"	46.985712
"1430740"	484.232946	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H+HCOOH"	47.012746
"228095"	465.24244	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+3H2O+2H"	56.04448
"1515066"	498.28499	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+IsoProp+H"	61.06479
"418033"	468.196388	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+Na+K"	61.952376
"776842"	686.806488	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+Na+K"	61.952376
"1674266"	249.586288	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Na+K"	61.952376
"257505"	938.456168	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+ACN+Na"	64.015768
"1232401"	501.235968	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+ACN+Na"	64.015768
"1718006"	501.259493	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+NH4+HCOOH"	64.039293
"1186640"	168.729284666667	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+3Na"	68.967654
"1654346"	506.214888	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Na+HCOOH"	68.994688
"164487"	951.35944	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+2K-H"	76.91904
"600765"	1388.57964	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+2K-H"	76.91904
"1090745"	514.13924	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2K-H"	76.91904
"146466"	476.183358	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"2M+2K"	77.926316
"586033"	694.793458	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"3M+2K"	77.926316
"1070914"	257.573258	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2K"	77.926316
"1101934"	516.153792	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2K+H"	78.933592
"1337953"	516.241407	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+DMSO+H"	79.021207
"1008673"	520.280576	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2ACN+H"	83.060376
"1526800"	521.274208	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+IsoProp+Na+H"	84.054008
"991063"	260.643926	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+2ACN+2H"	84.067652
"1599791"	522.188828	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+K+HCOOH"	84.968628
"1426540"	552.220338	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+H+CF3COOH"	115.000138
"1157919"	281.157201	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+3ACN+2H"	125.094202
"1703097"	569.246885	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+NH4+CF3COOH"	132.026685
"1643122"	574.20228	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+Na+CF3COOH"	136.98208
"1577679"	590.17622	"C10589"	"Decaline;Decalin"	"C26H31NO5"	"437.2202"	"M+K+CF3COOH"	152.95602
"811327"	267.1735	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M"	0
"981581"	248.15511	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-H2O-H"	-19.01839
"70918"	177.108390666667	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M-3H"	-3.021828
"511571"	266.166224	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M-3H"	-3.021828
"890468"	88.0505573333333	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-3H"	-3.021828
"7949"	266.166224	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M-2H"	-2.014552
"444228"	399.752974	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M-2H"	-2.014552
"819115"	132.579474	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-2H"	-2.014552
"84210"	533.339724	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M-H"	-1.007276
"531428"	800.513224	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M-H"	-1.007276
"909227"	266.166224	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-H"	-1.007276
"58133"	550.366271	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M-2H+NH4"	16.019271
"500853"	817.539771	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M-2H+NH4"	16.019271
"866748"	283.192771	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-2H+NH4"	16.019271
"35012"	555.321666	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M-2H+Na"	20.974666
"474570"	822.495166	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M-2H+Na"	20.974666
"862948"	288.148166	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-2H+Na"	20.974666
"1623732"	288.148166	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Na-2H"	20.974666
"103543"	284.154563	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M-H+Cl"	33.962126
"544197"	417.741313	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M-H+Cl"	33.962126
"942088"	150.567813	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-H+Cl"	33.962126
"281497"	569.316402	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+Cl"	34.969402
"671614"	836.489902	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+Cl"	34.969402
"1282196"	302.142902	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Cl"	34.969402
"24390"	571.295606	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M-2H+K"	36.948606
"462126"	838.469106	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M-2H+K"	36.948606
"838834"	304.122106	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-2H+K"	36.948606
"1563415"	304.122106	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+K-2H"	36.948606
"953485"	312.171694	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-H+HCOOH"	44.998194
"371700"	579.345201	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+HCOOH-H"	44.998201
"352669"	593.360851	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+Hac-H"	59.013851
"1500045"	326.187351	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Hac-H"	59.013851
"964305"	334.153651	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-H+NaCOOH"	66.980151
"118681"	302.142902	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+2Cl"	69.938804
"553502"	435.729652	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+2Cl"	69.938804
"1026675"	168.556152	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2Cl"	69.938804
"1246619"	346.092385	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Br"	78.918885
"1312348"	348.148372	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Cl+HCOOH"	80.974872
"1323285"	370.130329	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Cl+NaCOOH"	102.956829
"925277"	380.159086	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M-H+CF3COOH"	112.985586
"1295423"	416.135764	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Cl+CF3COOH"	148.962264
"1373583"	232.160824	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H-2H2O"	-35.012676
"1387806"	250.1708	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H-H2O"	-17.0027
"287130"	535.354276	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+H"	1.007276
"678821"	802.527776	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+H"	1.007276
"1356266"	268.180776	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H"	1.007276
"128424"	268.180776	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+2H"	2.014552
"574185"	401.767526	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+2H"	2.014552
"1039708"	134.594026	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2H"	2.014552
"209796"	179.122942666667	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+3H"	3.021828
"647169"	268.180776	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+3H"	3.021828
"1165295"	90.0651093333333	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+3H"	3.021828
"431849"	552.380823	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+NH4"	18.033823
"789563"	819.554323	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+NH4"	18.033823
"1682613"	285.207323	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+NH4"	18.033823
"330158"	276.6940495	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+H+NH4"	19.041099
"723546"	410.2807995	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+H+NH4"	19.041099
"1478949"	143.1072995	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H+NH4"	19.041099
"395807"	557.336218	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+Na"	22.989218
"756801"	824.509718	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+Na"	22.989218
"1607088"	290.162718	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Na"	22.989218
"316758"	279.171747	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+H+Na"	23.996494
"709184"	412.758497	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+H+Na"	23.996494
"1465563"	145.584997	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H+Na"	23.996494
"1056619"	97.3924233333333	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2H+Na"	25.00377
"1260485"	300.206986	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+CH3OH+H"	33.033486
"381246"	573.310158	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+K"	38.963158
"745526"	840.483658	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+K"	38.963158
"1545390"	306.136658	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+K"	38.963158
"300742"	287.158717	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+H+K"	39.970434
"692552"	420.745467	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+H+K"	39.970434
"1446983"	153.571967	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H+K"	39.970434
"241785"	576.380826	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+ACN+H"	42.033826
"1213406"	309.207326	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+ACN+H"	42.033826
"1201669"	155.107301	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+ACN+2H"	43.041102
"195631"	579.31816	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+2Na-H"	44.97116
"635191"	846.49166	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+2Na-H"	44.97116
"1143070"	312.14466	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2Na-H"	44.97116
"179797"	290.162718	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+2Na"	45.978436
"619357"	423.749468	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+2Na"	45.978436
"1120678"	156.575968	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2Na"	45.978436
"1400920"	104.719737333333	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H+2Na"	46.985712
"1431943"	314.186246	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H+HCOOH"	47.012746
"229297"	295.19574	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+3H2O+2H"	56.04448
"1514082"	328.23829	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+IsoProp+H"	61.06479
"411583"	298.149688	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+Na+K"	61.952376
"769997"	431.736438	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+Na+K"	61.952376
"1671096"	164.562938	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Na+K"	61.952376
"259802"	598.362768	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+ACN+Na"	64.015768
"1233605"	331.189268	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+ACN+Na"	64.015768
"1715930"	331.212793	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+NH4+HCOOH"	64.039293
"1183470"	112.047051333333	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+3Na"	68.967654
"1655549"	336.168188	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Na+HCOOH"	68.994688
"164597"	611.26604	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+2K-H"	76.91904
"603063"	878.43954	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+2K-H"	76.91904
"1087576"	344.09254	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2K-H"	76.91904
"146576"	306.136658	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"2M+2K"	77.926316
"581767"	439.723408	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"3M+2K"	77.926316
"1069566"	172.549908	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2K"	77.926316
"1100950"	346.107092	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2K+H"	78.933592
"1336966"	346.194707	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+DMSO+H"	79.021207
"1008054"	350.233876	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2ACN+H"	83.060376
"1527274"	351.227508	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+IsoProp+Na+H"	84.054008
"990929"	175.620576	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+2ACN+2H"	84.067652
"1601722"	352.142128	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+K+HCOOH"	84.968628
"1428837"	382.173638	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+H+CF3COOH"	115.000138
"1157665"	196.133851	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+3ACN+2H"	125.094202
"1703207"	399.200185	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+NH4+CF3COOH"	132.026685
"1643232"	404.15558	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+Na+CF3COOH"	136.98208
"1574509"	420.12952	"C10590"	"Elaeocarpidine"	"C17H21N3"	"267.1735"	"M+K+CF3COOH"	152.95602
"811437"	257.1416	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M"	0
"978410"	238.12321	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-H2O-H"	-19.01839
"71028"	170.420457333333	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M-3H"	-3.021828
"510588"	256.134324	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M-3H"	-3.021828
"890578"	84.7065906666667	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-3H"	-3.021828
"4779"	256.134324	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M-2H"	-2.014552
"446524"	384.705124	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M-2H"	-2.014552
"821047"	127.563524	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-2H"	-2.014552
"84320"	513.275924	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M-H"	-1.007276
"533116"	770.417524	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M-H"	-1.007276
"906057"	256.134324	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-H"	-1.007276
"58243"	530.302471	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M-2H+NH4"	16.019271
"497804"	787.444071	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M-2H+NH4"	16.019271
"867586"	273.160871	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-2H+NH4"	16.019271
"36215"	535.257866	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M-2H+Na"	20.974666
"478692"	792.399466	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M-2H+Na"	20.974666
"857591"	278.116266	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-2H+Na"	20.974666
"1624936"	278.116266	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Na-2H"	20.974666
"101467"	274.122663	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M-H+Cl"	33.962126
"544307"	402.693463	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M-H+Cl"	33.962126
"941105"	145.551863	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-H+Cl"	33.962126
"280756"	549.252602	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+Cl"	34.969402
"670994"	806.394202	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+Cl"	34.969402
"1282305"	292.111002	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Cl"	34.969402
"25956"	551.231806	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M-2H+K"	36.948606
"461142"	808.373406	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M-2H+K"	36.948606
"838943"	294.090206	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-2H+K"	36.948606
"1561338"	294.090206	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+K-2H"	36.948606
"949220"	302.139794	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-H+HCOOH"	44.998194
"369623"	559.281401	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+HCOOH-H"	44.998201
"350592"	573.297051	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+Hac-H"	59.013851
"1500155"	316.155451	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Hac-H"	59.013851
"963321"	324.121751	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-H+NaCOOH"	66.980151
"116604"	292.111002	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+2Cl"	69.938804
"555069"	420.681802	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+2Cl"	69.938804
"1027149"	163.540202	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2Cl"	69.938804
"1245269"	336.060485	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Br"	78.918885
"1312458"	338.116472	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Cl+HCOOH"	80.974872
"1323759"	360.098429	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Cl+NaCOOH"	102.956829
"924293"	370.127186	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M-H+CF3COOH"	112.985586
"1294439"	406.103864	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Cl+CF3COOH"	148.962264
"1372599"	222.128924	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H-2H2O"	-35.012676
"1390466"	240.1389	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H-H2O"	-17.0027
"287236"	515.290476	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+H"	1.007276
"678927"	772.432076	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+H"	1.007276
"1354918"	258.148876	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H"	1.007276
"128170"	258.148876	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+2H"	2.014552
"568096"	386.719676	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+2H"	2.014552
"1042005"	129.578076	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2H"	2.014552
"209906"	172.435009333333	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+3H"	3.021828
"649466"	258.148876	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+3H"	3.021828
"1165405"	86.7211426666667	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+3H"	3.021828
"430866"	532.317023	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+NH4"	18.033823
"788580"	789.458623	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+NH4"	18.033823
"1682723"	275.175423	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+NH4"	18.033823
"330875"	266.6621495	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+H+NH4"	19.041099
"723084"	395.2329495	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+H+NH4"	19.041099
"1478330"	138.0913495	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H+NH4"	19.041099
"398103"	537.272418	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+Na"	22.989218
"756181"	794.414018	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+Na"	22.989218
"1608292"	280.130818	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Na"	22.989218
"315288"	269.139847	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+H+Na"	23.996494
"708932"	397.710647	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+H+Na"	23.996494
"1464579"	140.569047	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H+Na"	23.996494
"1058915"	94.0484566666667	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2H+Na"	25.00377
"1261687"	290.175086	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+CH3OH+H"	33.033486
"380263"	553.246358	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+K"	38.963158
"740163"	810.387958	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+K"	38.963158
"1541122"	296.104758	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+K"	38.963158
"300119"	277.126817	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+H+K"	39.970434
"691499"	405.697617	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+H+K"	39.970434
"1446485"	148.556017	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H+K"	39.970434
"239709"	556.317026	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+ACN+H"	42.033826
"1216796"	299.175426	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+ACN+H"	42.033826
"1207246"	150.091351	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+ACN+2H"	43.041102
"196835"	559.25436	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+2Na-H"	44.97116
"636395"	816.39596	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+2Na-H"	44.97116
"1143180"	302.11276	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2Na-H"	44.97116
"179908"	280.130818	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+2Na"	45.978436
"619467"	408.701618	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+2Na"	45.978436
"1120788"	151.560018	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2Na"	45.978436
"1401030"	101.375770666667	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H+2Na"	46.985712
"1430957"	304.154346	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H+HCOOH"	47.012746
"230501"	285.16384	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+3H2O+2H"	56.04448
"1514192"	318.20639	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+IsoProp+H"	61.06479
"412786"	288.117788	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+Na+K"	61.952376
"775968"	416.688588	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+Na+K"	61.952376
"1670112"	159.546988	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Na+K"	61.952376
"259912"	578.298968	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+ACN+Na"	64.015768
"1229340"	321.157368	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+ACN+Na"	64.015768
"1719320"	321.180893	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+NH4+HCOOH"	64.039293
"1181393"	108.703084666667	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+3Na"	68.967654
"1652743"	326.136288	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Na+HCOOH"	68.994688
"165800"	591.20224	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+2K-H"	76.91904
"603173"	848.34384	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+2K-H"	76.91904
"1088779"	334.06064	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2K-H"	76.91904
"146685"	296.104758	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"2M+2K"	77.926316
"582972"	424.675558	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"3M+2K"	77.926316
"1070039"	167.533958	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2K"	77.926316
"1103611"	336.075192	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2K+H"	78.933592
"1338537"	336.162807	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+DMSO+H"	79.021207
"1008165"	340.201976	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2ACN+H"	83.060376
"1526406"	341.195608	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+IsoProp+Na+H"	84.054008
"991283"	170.604626	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+2ACN+2H"	84.067652
"1591255"	342.110228	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+K+HCOOH"	84.968628
"1429313"	372.141738	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+H+CF3COOH"	115.000138
"1157046"	191.117901	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+3ACN+2H"	125.094202
"1702224"	389.168285	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+NH4+CF3COOH"	132.026685
"1643342"	394.12368	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+Na+CF3COOH"	136.98208
"1574619"	410.09762	"C10591"	"()-Elaeocarpine"	"C16H19NO2"	"257.1416"	"M+K+CF3COOH"	152.95602
"811547"	211.1572	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M"	0
"978884"	192.13881	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-H2O-H"	-19.01839
"72231"	139.764190666667	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M-3H"	-3.021828
"508511"	210.149924	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M-3H"	-3.021828
"890688"	69.3784573333333	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-3H"	-3.021828
"7075"	210.149924	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M-2H"	-2.014552
"444811"	315.728524	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M-2H"	-2.014552
"819334"	104.571324	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-2H"	-2.014552
"85523"	421.307124	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M-H"	-1.007276
"527270"	632.464324	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M-H"	-1.007276
"899607"	210.149924	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-H"	-1.007276
"49970"	438.333671	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M-2H+NH4"	16.019271
"491352"	649.490871	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M-2H+NH4"	16.019271
"865143"	227.176471	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-2H+NH4"	16.019271
"32434"	443.289066	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M-2H+Na"	20.974666
"472969"	654.446266	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M-2H+Na"	20.974666
"857701"	232.131866	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-2H+Na"	20.974666
"1625046"	232.131866	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Na-2H"	20.974666
"103763"	228.138263	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M-H+Cl"	33.962126
"544417"	333.716863	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M-H+Cl"	33.962126
"939028"	122.559663	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-H+Cl"	33.962126
"279773"	457.283802	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+Cl"	34.969402
"671104"	668.441002	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+Cl"	34.969402
"1283506"	246.126602	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Cl"	34.969402
"21691"	459.263006	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M-2H+K"	36.948606
"462346"	670.420206	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M-2H+K"	36.948606
"839052"	248.105806	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-2H+K"	36.948606
"1561810"	248.105806	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+K-2H"	36.948606
"950424"	256.155394	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-H+HCOOH"	44.998194
"367546"	467.312601	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+HCOOH-H"	44.998201
"349973"	481.328251	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+Hac-H"	59.013851
"1500265"	270.171051	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Hac-H"	59.013851
"963431"	278.137351	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-H+NaCOOH"	66.980151
"116714"	246.126602	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+2Cl"	69.938804
"555179"	351.705202	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+2Cl"	69.938804
"1026166"	140.548002	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2Cl"	69.938804
"1245380"	290.076085	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Br"	78.918885
"1313661"	292.132072	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Cl+HCOOH"	80.974872
"1330065"	314.114029	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Cl+NaCOOH"	102.956829
"923675"	324.142786	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M-H+CF3COOH"	112.985586
"1293455"	360.119464	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Cl+CF3COOH"	148.962264
"1369427"	176.144524	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H-2H2O"	-35.012676
"1386566"	194.1545	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H-H2O"	-17.0027
"289897"	423.321676	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+H"	1.007276
"677214"	634.478876	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+H"	1.007276
"1355393"	212.164476	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H"	1.007276
"129374"	212.164476	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+2H"	2.014552
"567843"	317.743076	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+2H"	2.014552
"1043208"	106.585876	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2H"	2.014552
"210016"	141.778742666667	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+3H"	3.021828
"650669"	212.164476	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+3H"	3.021828
"1164421"	71.3930093333333	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+3H"	3.021828
"430976"	440.348223	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+NH4"	18.033823
"789783"	651.505423	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+NH4"	18.033823
"1683197"	229.191023	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+NH4"	18.033823
"330173"	220.6777495	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+H+NH4"	19.041099
"722994"	326.2563495	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+H+NH4"	19.041099
"1477182"	115.0991495	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H+NH4"	19.041099
"392971"	445.303618	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+Na"	22.989218
"755806"	656.460818	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+Na"	22.989218
"1608402"	234.146418	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Na"	22.989218
"316371"	223.155447	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+H+Na"	23.996494
"709042"	328.734047	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+H+Na"	23.996494
"1464689"	117.576847	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H+Na"	23.996494
"1056839"	78.7203233333333	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2H+Na"	25.00377
"1258880"	244.190686	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+CH3OH+H"	33.033486
"379278"	461.277558	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+K"	38.963158
"740274"	672.434758	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+K"	38.963158
"1540868"	250.120358	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+K"	38.963158
"301323"	231.142417	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+H+K"	39.970434
"694110"	336.721017	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+H+K"	39.970434
"1447560"	125.563817	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H+K"	39.970434
"235881"	464.348226	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+ACN+H"	42.033826
"1210339"	253.191026	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+ACN+H"	42.033826
"1201887"	127.099151	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+ACN+2H"	43.041102
"196945"	467.28556	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+2Na-H"	44.97116
"637597"	678.44276	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+2Na-H"	44.97116
"1141103"	256.12836	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2Na-H"	44.97116
"176737"	234.146418	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+2Na"	45.978436
"616297"	339.725018	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+2Na"	45.978436
"1120898"	128.567818	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2Na"	45.978436
"1401140"	86.0476373333333	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H+2Na"	46.985712
"1430338"	258.169946	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H+HCOOH"	47.012746
"233890"	239.17944	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+3H2O+2H"	56.04448
"1517581"	272.22199	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+IsoProp+H"	61.06479
"411803"	242.133388	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+Na+K"	61.952376
"777171"	347.711988	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+Na+K"	61.952376
"1673502"	136.554788	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Na+K"	61.952376
"258929"	486.330168	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+ACN+Na"	64.015768
"1230543"	275.172968	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+ACN+Na"	64.015768
"1719430"	275.196493	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+NH4+HCOOH"	64.039293
"1184783"	93.3749513333333	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+3Na"	68.967654
"1653582"	280.151888	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Na+HCOOH"	68.994688
"164817"	499.23344	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+2K-H"	76.91904
"602190"	710.39064	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+2K-H"	76.91904
"1087796"	288.07624	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2K-H"	76.91904
"144609"	250.120358	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"2M+2K"	77.926316
"583083"	355.698958	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"3M+2K"	77.926316
"1070141"	144.541758	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2K"	77.926316
"1102628"	290.090792	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2K+H"	78.933592
"1337919"	290.178407	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+DMSO+H"	79.021207
"1009002"	294.217576	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2ACN+H"	83.060376
"1526396"	295.211208	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+IsoProp+Na+H"	84.054008
"994672"	147.612426	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+2ACN+2H"	84.067652
"1590272"	296.125828	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+K+HCOOH"	84.968628
"1428691"	326.157338	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+H+CF3COOH"	115.000138
"1158249"	168.125701	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+3ACN+2H"	125.094202
"1699052"	343.183885	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+NH4+CF3COOH"	132.026685
"1643452"	348.13928	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+Na+CF3COOH"	136.98208
"1574729"	364.11322	"C10592"	"Elaeokanine C"	"C12H21NO2"	"211.1572"	"M+K+CF3COOH"	152.95602
"811657"	450.0919	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M"	0
"978630"	431.07351	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-H2O-H"	-19.01839
"71248"	299.053990666667	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M-3H"	-3.021828
"508621"	449.084624	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M-3H"	-3.021828
"890798"	149.023357333333	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-3H"	-3.021828
"6092"	449.084624	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M-2H"	-2.014552
"442735"	674.130574	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M-2H"	-2.014552
"820538"	224.038674	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-2H"	-2.014552
"83811"	899.176524	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M-H"	-1.007276
"525194"	1349.268424	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M-H"	-1.007276
"899717"	449.084624	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-H"	-1.007276
"53360"	916.203071	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M-2H+NH4"	16.019271
"491098"	1366.294971	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M-2H+NH4"	16.019271
"865254"	466.111171	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-2H+NH4"	16.019271
"33155"	921.158466	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M-2H+Na"	20.974666
"475631"	1371.250366	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M-2H+Na"	20.974666
"856718"	471.066566	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-2H+Na"	20.974666
"1625156"	471.066566	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Na-2H"	20.974666
"103873"	467.072963	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M-H+Cl"	33.962126
"545623"	692.118913	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M-H+Cl"	33.962126
"936952"	242.027013	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-H+Cl"	33.962126
"276602"	935.153202	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+Cl"	34.969402
"672302"	1385.245102	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+Cl"	34.969402
"1280337"	485.061302	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Cl"	34.969402
"23257"	937.132406	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M-2H+K"	36.948606
"464277"	1387.224306	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M-2H+K"	36.948606
"837704"	487.040506	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-2H+K"	36.948606
"1562651"	487.040506	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+K-2H"	36.948606
"949804"	495.090094	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-H+HCOOH"	44.998194
"366927"	945.182001	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+HCOOH-H"	44.998201
"351176"	959.197651	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+Hac-H"	59.013851
"1500737"	509.105751	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Hac-H"	59.013851
"964268"	517.072051	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-H+NaCOOH"	66.980151
"114634"	485.061302	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+2Cl"	69.938804
"556382"	710.107252	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+2Cl"	69.938804
"1030651"	260.015352	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2Cl"	69.938804
"1249135"	529.010785	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Br"	78.918885
"1313771"	531.066772	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Cl+HCOOH"	80.974872
"1326895"	553.048729	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Cl+NaCOOH"	102.956829
"921232"	563.077486	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M-H+CF3COOH"	112.985586
"1291376"	599.054164	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Cl+CF3COOH"	148.962264
"1369540"	415.079224	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H-2H2O"	-35.012676
"1385948"	433.0892	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H-H2O"	-17.0027
"286728"	901.191076	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+H"	1.007276
"680245"	1351.282976	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+H"	1.007276
"1355503"	451.099176	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H"	1.007276
"129484"	451.099176	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+2H"	2.014552
"570140"	676.145126	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+2H"	2.014552
"1045505"	226.053226	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2H"	2.014552
"213406"	301.068542666667	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+3H"	3.021828
"651873"	451.099176	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+3H"	3.021828
"1166719"	151.037909333333	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+3H"	3.021828
"431086"	918.217623	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+NH4"	18.033823
"792080"	1368.309523	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+NH4"	18.033823
"1685130"	468.125723	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+NH4"	18.033823
"330610"	459.6124495	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+H+NH4"	19.041099
"724366"	684.6583995	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+H+NH4"	19.041099
"1478065"	234.5664995	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H+NH4"	19.041099
"393341"	923.173018	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+Na"	22.989218
"756404"	1373.264918	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+Na"	22.989218
"1612885"	473.081118	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Na"	22.989218
"318547"	462.090147	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+H+Na"	23.996494
"709147"	687.136097	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+H+Na"	23.996494
"1463705"	237.044197	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H+Na"	23.996494
"1054399"	158.365223333333	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2H+Na"	25.00377
"1258625"	483.125386	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+CH3OH+H"	33.033486
"379387"	939.146958	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+K"	38.963158
"740384"	1389.238858	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+K"	38.963158
"1540978"	489.055058	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+K"	38.963158
"301800"	470.077117	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+H+K"	39.970434
"696404"	695.123067	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+H+K"	39.970434
"1447671"	245.031167	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H+K"	39.970434
"235949"	942.217626	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+ACN+H"	42.033826
"1213729"	492.125726	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+ACN+H"	42.033826
"1196525"	246.566501	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+ACN+2H"	43.041102
"191583"	945.15496	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+2Na-H"	44.97116
"629317"	1395.24686	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+2Na-H"	44.97116
"1134650"	495.06306	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2Na-H"	44.97116
"177211"	473.081118	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+2Na"	45.978436
"615678"	698.127068	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+2Na"	45.978436
"1119550"	248.035168	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2Na"	45.978436
"1401614"	165.692537333333	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H+2Na"	46.985712
"1430246"	497.104646	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H+HCOOH"	47.012746
"225253"	478.11414	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+3H2O+2H"	56.04448
"1514410"	511.15669	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+IsoProp+H"	61.06479
"410817"	481.068088	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+Na+K"	61.952376
"772905"	706.114038	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+Na+K"	61.952376
"1670332"	256.022138	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Na+K"	61.952376
"254664"	964.199568	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+ACN+Na"	64.015768
"1229558"	514.107668	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+ACN+Na"	64.015768
"1714799"	514.131193	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+NH4+HCOOH"	64.039293
"1181613"	173.019851333333	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+3Na"	68.967654
"1651504"	519.086588	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Na+HCOOH"	68.994688
"164927"	977.10284	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+2K-H"	76.91904
"602300"	1427.19474	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+2K-H"	76.91904
"1087905"	527.01094	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2K-H"	76.91904
"145083"	489.055058	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"2M+2K"	77.926316
"582460"	714.101008	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"3M+2K"	77.926316
"1069888"	264.009108	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2K"	77.926316
"1100915"	529.025492	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2K+H"	78.933592
"1337665"	529.113107	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+DMSO+H"	79.021207
"1008383"	533.152276	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2ACN+H"	83.060376
"1525654"	534.145908	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+IsoProp+Na+H"	84.054008
"993689"	267.079776	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+2ACN+2H"	84.067652
"1592568"	535.060528	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+K+HCOOH"	84.968628
"1426978"	565.092038	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+H+CF3COOH"	115.000138
"1151798"	287.593051	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+3ACN+2H"	125.094202
"1698068"	582.118585	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+NH4+CF3COOH"	132.026685
"1643562"	587.07398	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+Na+CF3COOH"	136.98208
"1574839"	603.04792	"C10593"	"Exserohilone"	"C20H22N2O6S2"	"450.0919"	"M+K+CF3COOH"	152.95602
"816142"	337.1314	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M"	0
"978740"	318.11301	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-H2O-H"	-19.01839
"71358"	223.746990666667	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M-3H"	-3.021828
"505450"	336.124124	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M-3H"	-3.021828
"887628"	111.369857333333	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-3H"	-3.021828
"4379"	336.124124	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M-2H"	-2.014552
"443574"	504.689824	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M-2H"	-2.014552
"818825"	167.558424	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-2H"	-2.014552
"81370"	673.255524	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M-H"	-1.007276
"522024"	1010.386924	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M-H"	-1.007276
"899827"	336.124124	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-H"	-1.007276
"49826"	690.282071	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M-2H+NH4"	16.019271
"488169"	1027.413471	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M-2H+NH4"	16.019271
"866094"	353.150671	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-2H+NH4"	16.019271
"35087"	695.237466	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M-2H+Na"	20.974666
"475741"	1032.368866	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M-2H+Na"	20.974666
"853547"	358.106066	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-2H+Na"	20.974666
"1620892"	358.106066	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Na-2H"	20.974666
"96328"	354.112463	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M-H+Cl"	33.962126
"544638"	522.678163	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M-H+Cl"	33.962126
"938886"	185.546763	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-H+Cl"	33.962126
"277444"	709.232202	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+Cl"	34.969402
"672777"	1046.363602	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+Cl"	34.969402
"1280445"	372.100802	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Cl"	34.969402
"22274"	711.211406	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M-2H+K"	36.948606
"464387"	1048.342806	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M-2H+K"	36.948606
"840003"	374.080006	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-2H+K"	36.948606
"1562762"	374.080006	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+K-2H"	36.948606
"950646"	382.129594	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-H+HCOOH"	44.998194
"369955"	719.261001	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+HCOOH-H"	44.998201
"352016"	733.276651	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+Hac-H"	59.013851
"1499755"	396.145251	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Hac-H"	59.013851
"965838"	404.111551	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-H+NaCOOH"	66.980151
"116567"	372.100802	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+2Cl"	69.938804
"560503"	540.666502	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+2Cl"	69.938804
"1030761"	203.535102	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2Cl"	69.938804
"1249248"	416.050285	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Br"	78.918885
"1306592"	418.106272	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Cl+HCOOH"	80.974872
"1322267"	440.088229	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Cl+NaCOOH"	102.956829
"920250"	450.116986	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M-H+CF3COOH"	112.985586
"1291854"	486.093664	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Cl+CF3COOH"	148.962264
"1375119"	302.118724	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H-2H2O"	-35.012676
"1384963"	320.1287	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H-H2O"	-17.0027
"285016"	675.270076	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+H"	1.007276
"680356"	1012.401476	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+H"	1.007276
"1356708"	338.138676	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H"	1.007276
"132876"	338.138676	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+2H"	2.014552
"571342"	506.704376	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+2H"	2.014552
"1043425"	169.572976	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2H"	2.014552
"208044"	225.761542666667	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+3H"	3.021828
"648701"	338.138676	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+3H"	3.021828
"1163549"	113.384409333333	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+3H"	3.021828
"431196"	692.296623	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+NH4"	18.033823
"788910"	1029.428023	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+NH4"	18.033823
"1682202"	355.165223	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+NH4"	18.033823
"330478"	346.6519495	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+H+NH4"	19.041099
"724842"	515.2176495	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+H+NH4"	19.041099
"1481943"	178.0862495	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H+NH4"	19.041099
"393208"	697.252018	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+Na"	22.989218
"755541"	1034.383418	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+Na"	22.989218
"1605342"	360.120618	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Na"	22.989218
"316836"	349.129647	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+H+Na"	23.996494
"708649"	517.695347	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+H+Na"	23.996494
"1463815"	180.563947	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H+Na"	23.996494
"1054509"	120.711723333333	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2H+Na"	25.00377
"1258736"	370.164886	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+CH3OH+H"	33.033486
"379132"	713.225958	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+K"	38.963158
"740858"	1050.357358	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+K"	38.963158
"1544368"	376.094558	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+K"	38.963158
"303001"	357.116617	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+H+K"	39.970434
"697608"	525.682317	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+H+K"	39.970434
"1453617"	188.550917	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H+K"	39.970434
"237110"	716.296626	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+ACN+H"	42.033826
"1212014"	379.165226	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+ACN+H"	42.033826
"1194725"	190.086251	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+ACN+2H"	43.041102
"191693"	719.23396	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+2Na-H"	44.97116
"630885"	1056.36536	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+2Na-H"	44.97116
"1133666"	382.10256	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2Na-H"	44.97116
"174041"	360.120618	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+2Na"	45.978436
"614329"	528.686318	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+2Na"	45.978436
"1118202"	191.554918	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2Na"	45.978436
"1400265"	128.039037333333	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H+2Na"	46.985712
"1430923"	384.144146	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H+HCOOH"	47.012746
"222811"	365.15364	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+3H2O+2H"	56.04448
"1513427"	398.19619	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+IsoProp+H"	61.06479
"410927"	368.107588	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+Na+K"	61.952376
"772652"	536.673288	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+Na+K"	61.952376
"1673722"	199.541888	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Na+K"	61.952376
"259148"	738.278568	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+ACN+Na"	64.015768
"1230763"	401.147168	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+ACN+Na"	64.015768
"1718557"	401.170693	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+NH4+HCOOH"	64.039293
"1180630"	135.366351333333	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+3Na"	68.967654
"1655990"	406.126088	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Na+HCOOH"	68.994688
"163945"	751.18184	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+2K-H"	76.91904
"601318"	1088.31324	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+2K-H"	76.91904
"1086923"	414.05044	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2K-H"	76.91904
"144101"	376.094558	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"2M+2K"	77.926316
"584401"	544.660258	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"3M+2K"	77.926316
"1069879"	207.528858	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2K"	77.926316
"1106499"	416.064992	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2K+H"	78.933592
"1336565"	416.152607	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+DMSO+H"	79.021207
"1014696"	420.191776	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2ACN+H"	83.060376
"1526501"	421.185408	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+IsoProp+Na+H"	84.054008
"998176"	210.599526	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+2ACN+2H"	84.067652
"1601064"	422.100028	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+K+HCOOH"	84.968628
"1428912"	452.131538	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+H+CF3COOH"	115.000138
"1162564"	231.112801	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+3ACN+2H"	125.094202
"1702553"	469.158085	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+NH4+CF3COOH"	132.026685
"1646953"	474.11348	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+Na+CF3COOH"	136.98208
"1578229"	490.08742	"C10594"	"Ficine;4H-1-Benzopyran-4-one 57-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl- (-)-"	"C20H19NO4"	"337.1314"	"M+K+CF3COOH"	152.95602
"816871"	326.0395	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M"	0
"985411"	307.02111	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-H2O-H"	-19.01839
"73655"	216.352390666667	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M-3H"	-3.021828
"509934"	325.032224	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M-3H"	-3.021828
"887738"	107.672557333333	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-3H"	-3.021828
"4125"	325.032224	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M-2H"	-2.014552
"445871"	488.051974	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M-2H"	-2.014552
"818935"	162.012474	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-2H"	-2.014552
"84760"	651.071724	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M-H"	-1.007276
"530882"	977.111224	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M-H"	-1.007276
"901030"	325.032224	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-H"	-1.007276
"49936"	668.098271	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M-2H+NH4"	16.019271
"492775"	994.137771	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M-2H+NH4"	16.019271
"867297"	342.058771	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-2H+NH4"	16.019271
"33374"	673.053666	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M-2H+Na"	20.974666
"475851"	999.093166	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M-2H+Na"	20.974666
"856937"	347.014166	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-2H+Na"	20.974666
"1627562"	347.014166	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Na-2H"	20.974666
"100811"	343.020563	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M-H+Cl"	33.962126
"546934"	506.040313	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M-H+Cl"	33.962126
"939360"	180.000813	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-H+Cl"	33.962126
"274639"	687.048402	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+Cl"	34.969402
"670336"	1013.087902	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+Cl"	34.969402
"1279100"	361.008902	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Cl"	34.969402
"25300"	689.027606	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M-2H+K"	36.948606
"464133"	1015.067106	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M-2H+K"	36.948606
"842668"	362.988106	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-2H+K"	36.948606
"1566154"	362.988106	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+K-2H"	36.948606
"952943"	371.037694	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-H+HCOOH"	44.998194
"370069"	697.077201	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+HCOOH-H"	44.998201
"353949"	711.092851	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+Hac-H"	59.013851
"1501688"	385.053351	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Hac-H"	59.013851
"967043"	393.019651	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-H+NaCOOH"	66.980151
"117770"	361.008902	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+2Cl"	69.938804
"555508"	524.028652	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+2Cl"	69.938804
"1026859"	197.989152	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2Cl"	69.938804
"1247531"	404.958385	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Br"	78.918885
"1313995"	407.014372	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Cl+HCOOH"	80.974872
"1328212"	428.996329	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Cl+NaCOOH"	102.956829
"923643"	439.025086	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M-H+CF3COOH"	112.985586
"1295248"	475.001764	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Cl+CF3COOH"	148.962264
"1372314"	291.026824	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H-2H2O"	-35.012676
"1392732"	309.0368	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H-H2O"	-17.0027
"288773"	653.086276	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+H"	1.007276
"684841"	979.125776	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+H"	1.007276
"1363379"	327.046776	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H"	1.007276
"138453"	327.046776	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+2H"	2.014552
"579108"	490.066526	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+2H"	2.014552
"1046818"	164.027026	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2H"	2.014552
"214718"	218.366942666667	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+3H"	3.021828
"652094"	327.046776	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+3H"	3.021828
"1165845"	109.687109333333	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+3H"	3.021828
"434588"	670.112823	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+NH4"	18.033823
"801325"	996.152323	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+NH4"	18.033823
"1693007"	344.073323	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+NH4"	18.033823
"338003"	335.5600495	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+H+NH4"	19.041099
"728237"	498.5797995	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+H+NH4"	19.041099
"1485335"	172.5402995	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H+NH4"	19.041099
"400733"	675.068218	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+Na"	22.989218
"766100"	1001.107718	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+Na"	22.989218
"1612011"	349.028718	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Na"	22.989218
"318772"	338.037747	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+H+Na"	23.996494
"711191"	501.057497	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+H+Na"	23.996494
"1465383"	175.017997	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H+Na"	23.996494
"1057172"	117.014423333333	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2H+Na"	25.00377
"1261032"	359.072986	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+CH3OH+H"	33.033486
"380704"	691.042158	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+K"	38.963158
"744978"	1017.081658	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+K"	38.963158
"1549216"	365.002658	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+K"	38.963158
"305299"	346.024717	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+H+K"	39.970434
"703919"	509.044467	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+H+K"	39.970434
"1454823"	183.004967	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H+K"	39.970434
"238684"	694.112826	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+ACN+H"	42.033826
"1211518"	368.073326	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+ACN+H"	42.033826
"1200391"	184.540301	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+ACN+2H"	43.041102
"195083"	697.05016	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+2Na-H"	44.97116
"630269"	1023.08966	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+2Na-H"	44.97116
"1140338"	371.01066	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2Na-H"	44.97116
"177798"	349.028718	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+2Na"	45.978436
"614805"	512.048468	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+2Na"	45.978436
"1119770"	186.008968	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2Na"	45.978436
"1404388"	124.341737333333	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H+2Na"	46.985712
"1435044"	373.052246	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H+HCOOH"	47.012746
"234225"	354.06174	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+3H2O+2H"	56.04448
"1523382"	387.10429	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+IsoProp+H"	61.06479
"423879"	357.015688	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+Na+K"	61.952376
"781877"	520.035438	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+Na+K"	61.952376
"1678207"	193.995938	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Na+K"	61.952376
"264726"	716.094768	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+ACN+Na"	64.015768
"1234154"	390.055268	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+ACN+Na"	64.015768
"1723041"	390.078793	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+NH4+HCOOH"	64.039293
"1181833"	131.669051333333	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+3Na"	68.967654
"1656100"	395.034188	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Na+HCOOH"	68.994688
"165148"	728.99804	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+2K-H"	76.91904
"602522"	1055.03754	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+2K-H"	76.91904
"1088127"	402.95854	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2K-H"	76.91904
"144572"	365.002658	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"2M+2K"	77.926316
"587791"	528.022408	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"3M+2K"	77.926316
"1071208"	201.982908	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2K"	77.926316
"1108798"	404.973092	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2K+H"	78.933592
"1346274"	405.060707	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+DMSO+H"	79.021207
"1014808"	409.099876	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2ACN+H"	83.060376
"1529650"	410.093508	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+IsoProp+Na+H"	84.054008
"998286"	205.053576	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+2ACN+2H"	84.067652
"1597168"	411.008128	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+K+HCOOH"	84.968628
"1427932"	441.039638	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+H+CF3COOH"	115.000138
"1161497"	225.566851	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+3ACN+2H"	125.094202
"1702663"	458.066185	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+NH4+CF3COOH"	132.026685
"1643782"	463.02158	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+Na+CF3COOH"	136.98208
"1575059"	478.99552	"C10595"	"Gliotoxin"	"C13H14N2O4S2"	"326.0395"	"M+K+CF3COOH"	152.95602
"811987"	238.0742	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M"	0
"981146"	219.05581	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-H2O-H"	-19.01839
"71578"	157.708857333333	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M-3H"	-3.021828
"511137"	237.066924	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M-3H"	-3.021828
"887847"	78.3507906666667	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-3H"	-3.021828
"6421"	237.066924	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M-2H"	-2.014552
"444887"	356.104024	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M-2H"	-2.014552
"819775"	118.029824	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-2H"	-2.014552
"80494"	475.141124	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M-H"	-1.007276
"520054"	713.215324	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M-H"	-1.007276
"896882"	237.066924	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-H"	-1.007276
"47370"	492.167671	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M-2H+NH4"	16.019271
"488384"	730.241871	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M-2H+NH4"	16.019271
"865097"	254.093471	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-2H+NH4"	16.019271
"32512"	497.123066	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M-2H+Na"	20.974666
"475961"	735.197266	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M-2H+Na"	20.974666
"853766"	259.048866	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-2H+Na"	20.974666
"1627672"	259.048866	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Na-2H"	20.974666
"98734"	255.055263	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M-H+Cl"	33.962126
"544858"	374.092363	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M-H+Cl"	33.962126
"939468"	136.018163	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-H+Cl"	33.962126
"278027"	511.117802	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+Cl"	34.969402
"670449"	749.192002	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+Cl"	34.969402
"1279938"	273.043602	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Cl"	34.969402
"26140"	513.097006	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M-2H+K"	36.948606
"469712"	751.171206	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M-2H+K"	36.948606
"842773"	275.022806	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-2H+K"	36.948606
"1566261"	275.022806	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+K-2H"	36.948606
"954875"	283.072394	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-H+HCOOH"	44.998194
"371268"	521.146601	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+HCOOH-H"	44.998201
"354058"	535.162251	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+Hac-H"	59.013851
"1503620"	297.088051	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Hac-H"	59.013851
"966059"	305.054351	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-H+NaCOOH"	66.980151
"116787"	273.043602	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+2Cl"	69.938804
"556712"	392.080702	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+2Cl"	69.938804
"1027698"	154.006502	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2Cl"	69.938804
"1246550"	316.993085	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Br"	78.918885
"1310820"	319.049072	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Cl+HCOOH"	80.974872
"1326132"	341.031029	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Cl+NaCOOH"	102.956829
"920471"	351.059786	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M-H+CF3COOH"	112.985586
"1296086"	387.036464	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Cl+CF3COOH"	148.962264
"1375339"	203.061524	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H-2H2O"	-35.012676
"1385184"	221.0715	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H-H2O"	-17.0027
"284142"	477.155676	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+H"	1.007276
"683857"	715.229876	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+H"	1.007276
"1361302"	239.081476	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H"	1.007276
"139657"	239.081476	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+2H"	2.014552
"578124"	358.118576	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+2H"	2.014552
"1046928"	120.044376	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2H"	2.014552
"214828"	159.723409333333	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+3H"	3.021828
"653297"	239.081476	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+3H"	3.021828
"1167049"	80.3653426666667	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+3H"	3.021828
"434698"	494.182223	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+NH4"	18.033823
"800918"	732.256423	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+NH4"	18.033823
"1693116"	256.108023	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+NH4"	18.033823
"337019"	247.5947495	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+H+NH4"	19.041099
"728347"	366.6318495	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+H+NH4"	19.041099
"1486538"	128.5576495	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H+NH4"	19.041099
"401937"	499.137618	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+Na"	22.989218
"765118"	737.211818	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+Na"	22.989218
"1613215"	261.063418	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Na"	22.989218
"322162"	250.072447	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+H+Na"	23.996494
"714581"	369.109547	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+H+Na"	23.996494
"1466222"	131.035347	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H+Na"	23.996494
"1056915"	87.6926566666667	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2H+Na"	25.00377
"1264422"	271.107686	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+CH3OH+H"	33.033486
"385185"	515.111558	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+K"	38.963158
"748369"	753.185758	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+K"	38.963158
"1548233"	277.037358	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+K"	38.963158
"307597"	258.059417	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+H+K"	39.970434
"705122"	377.096517	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+H+K"	39.970434
"1457849"	139.022317	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H+K"	39.970434
"236974"	518.182226	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+ACN+H"	42.033826
"1210777"	280.108026	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+ACN+H"	42.033826
"1197220"	140.557651	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+ACN+2H"	43.041102
"193006"	521.11956	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+2Na-H"	44.97116
"630013"	759.19376	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+2Na-H"	44.97116
"1138626"	283.04536	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2Na-H"	44.97116
"176448"	261.063418	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+2Na"	45.978436
"617467"	380.100518	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+2Na"	45.978436
"1119515"	142.026318	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2Na"	45.978436
"1401945"	95.0199706666667	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H+2Na"	46.985712
"1437341"	285.086946	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H+HCOOH"	47.012746
"233241"	266.09644	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+3H2O+2H"	56.04448
"1516931"	299.13899	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+IsoProp+H"	61.06479
"422084"	269.050388	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+Na+K"	61.952376
"781987"	388.087488	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+Na+K"	61.952376
"1677224"	150.013288	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Na+K"	61.952376
"264836"	540.164168	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+ACN+Na"	64.015768
"1237544"	302.089968	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+ACN+Na"	64.015768
"1723151"	302.113493	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+NH4+HCOOH"	64.039293
"1184129"	102.347284666667	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+3Na"	68.967654
"1656209"	307.068888	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Na+HCOOH"	68.994688
"163070"	553.06744	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+2K-H"	76.91904
"602632"	791.14164	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+2K-H"	76.91904
"1090424"	314.99324	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2K-H"	76.91904
"147237"	277.037358	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"2M+2K"	77.926316
"583157"	396.074458	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"3M+2K"	77.926316
"1072412"	158.000258	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2K"	77.926316
"1111823"	317.007792	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2K+H"	78.933592
"1345291"	317.095407	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+DMSO+H"	79.021207
"1014919"	321.134576	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2ACN+H"	83.060376
"1530853"	322.128208	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+IsoProp+Na+H"	84.054008
"998396"	161.070926	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+2ACN+2H"	84.067652
"1599465"	323.042828	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+K+HCOOH"	84.968628
"1427313"	353.074338	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+H+CF3COOH"	115.000138
"1159785"	181.584201	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+3ACN+2H"	125.094202
"1703866"	370.100885	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+NH4+CF3COOH"	132.026685
"1643892"	375.05628	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+Na+CF3COOH"	136.98208
"1578449"	391.03022	"C10596"	"Halfordinol"	"C14H10N2O2"	"238.0742"	"M+K+CF3COOH"	152.95602
"812097"	531.2468	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M"	0
"979070"	512.22841	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-H2O-H"	-19.01839
"74968"	353.157257333333	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M-3H"	-3.021828
"511248"	530.239524	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M-3H"	-3.021828
"886864"	176.074990666667	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-3H"	-3.021828
"7625"	530.239524	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M-2H"	-2.014552
"443175"	795.862924	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M-2H"	-2.014552
"819521"	264.616124	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-2H"	-2.014552
"78781"	1061.486324	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M-H"	-1.007276
"518744"	1592.733124	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M-H"	-1.007276
"897716"	530.239524	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-H"	-1.007276
"48689"	1078.512871	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M-2H+NH4"	16.019271
"487443"	1609.759671	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M-2H+NH4"	16.019271
"865451"	547.266071	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-2H+NH4"	16.019271
"32136"	1083.468266	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M-2H+Na"	20.974666
"479351"	1614.715066	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M-2H+Na"	20.974666
"850595"	552.221466	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-2H+Na"	20.974666
"1627782"	552.221466	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Na-2H"	20.974666
"97751"	548.227863	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M-H+Cl"	33.962126
"544968"	813.851263	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M-H+Cl"	33.962126
"935204"	282.604463	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-H+Cl"	33.962126
"277044"	1097.463002	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+Cl"	34.969402
"669465"	1628.709802	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+Cl"	34.969402
"1282960"	566.216202	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Cl"	34.969402
"26614"	1099.442206	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M-2H+K"	36.948606
"465082"	1630.689006	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M-2H+K"	36.948606
"842883"	568.195406	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-2H+K"	36.948606
"1568558"	568.195406	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+K-2H"	36.948606
"955348"	576.244994	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-H+HCOOH"	44.998194
"371377"	1107.491801	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+HCOOH-H"	44.998201
"355260"	1121.507451	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+Hac-H"	59.013851
"1501907"	590.260651	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Hac-H"	59.013851
"963982"	598.226951	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-H+NaCOOH"	66.980151
"115804"	566.216202	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+2Cl"	69.938804
"556822"	831.839602	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+2Cl"	69.938804
"1028903"	300.592802	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2Cl"	69.938804
"1248482"	610.165685	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Br"	78.918885
"1313117"	612.221672	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Cl+HCOOH"	80.974872
"1328428"	634.203629	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Cl+NaCOOH"	102.956829
"919486"	644.232386	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M-H+CF3COOH"	112.985586
"1291093"	680.209064	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Cl+CF3COOH"	148.962264
"1371076"	496.234124	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H-2H2O"	-35.012676
"1384930"	514.2441	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H-H2O"	-17.0027
"283398"	1063.500876	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+H"	1.007276
"682874"	1594.747676	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+H"	1.007276
"1361412"	532.254076	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H"	1.007276
"139403"	532.254076	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+2H"	2.014552
"577141"	797.877476	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+2H"	2.014552
"1050318"	266.630676	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2H"	2.014552
"214938"	355.171809333333	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+3H"	3.021828
"653407"	532.254076	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+3H"	3.021828
"1167159"	178.089542666667	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+3H"	3.021828
"434808"	1080.527423	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+NH4"	18.033823
"800663"	1611.774223	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+NH4"	18.033823
"1693226"	549.280623	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+NH4"	18.033823
"337129"	540.7673495	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+H+NH4"	19.041099
"728457"	806.3907495	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+H+NH4"	19.041099
"1486648"	275.1439495	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H+NH4"	19.041099
"402047"	1085.482818	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+Na"	22.989218
"765227"	1616.729618	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+Na"	22.989218
"1612233"	554.236018	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Na"	22.989218
"323001"	543.245047	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+H+Na"	23.996494
"713598"	808.868447	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+H+Na"	23.996494
"1465603"	277.621647	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H+Na"	23.996494
"1055566"	185.416856666667	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2H+Na"	25.00377
"1261618"	564.280286	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+CH3OH+H"	33.033486
"382016"	1101.456758	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+K"	38.963158
"746292"	1632.703558	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+K"	38.963158
"1547249"	570.209958	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+K"	38.963158
"307706"	551.232017	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+H+K"	39.970434
"703409"	816.855417	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+H+K"	39.970434
"1456136"	285.608617	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H+K"	39.970434
"238540"	1104.527426	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+ACN+H"	42.033826
"1211615"	573.280626	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+ACN+H"	42.033826
"1195872"	287.143951	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+ACN+2H"	43.041102
"190929"	1107.46476	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+2Na-H"	44.97116
"630609"	1638.71156	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+2Na-H"	44.97116
"1136184"	576.21796	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2Na-H"	44.97116
"176558"	554.236018	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+2Na"	45.978436
"614781"	819.859418	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+2Na"	45.978436
"1116221"	288.612618	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2Na"	45.978436
"1400474"	192.744170666667	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H+2Na"	46.985712
"1431984"	578.259546	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H+HCOOH"	47.012746
"226058"	559.26904	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+3H2O+2H"	56.04448
"1514854"	592.31159	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+IsoProp+H"	61.06479
"418914"	562.222988	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+Na+K"	61.952376
"774443"	827.846388	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+Na+K"	61.952376
"1677334"	296.599588	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Na+K"	61.952376
"262759"	1126.509368	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+ACN+Na"	64.015768
"1235468"	595.262568	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+ACN+Na"	64.015768
"1723260"	595.286093	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+NH4+HCOOH"	64.039293
"1185333"	200.071484666667	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+3Na"	68.967654
"1654132"	600.241488	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Na+HCOOH"	68.994688
"158075"	1139.41264	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+2K-H"	76.91904
"599093"	1670.65944	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+2K-H"	76.91904
"1088344"	608.16584	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2K-H"	76.91904
"145524"	570.209958	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"2M+2K"	77.926316
"583630"	835.833358	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"3M+2K"	77.926316
"1073612"	304.586558	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2K"	77.926316
"1111569"	610.180392	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2K+H"	78.933592
"1345401"	610.268007	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+DMSO+H"	79.021207
"1015758"	614.307176	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2ACN+H"	83.060376
"1529870"	615.300808	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+IsoProp+Na+H"	84.054008
"998506"	307.657226	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+2ACN+2H"	84.067652
"1598482"	616.215428	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+K+HCOOH"	84.968628
"1426330"	646.246938	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+H+CF3COOH"	115.000138
"1159895"	328.170501	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+3ACN+2H"	125.094202
"1706163"	663.273485	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+NH4+CF3COOH"	132.026685
"1644002"	668.22888	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+Na+CF3COOH"	136.98208
"1575279"	684.20282	"C10597"	"Harringtonine"	"C28H37NO9"	"531.2468"	"M+K+CF3COOH"	152.95602
"812207"	345.2668	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M"	0
"979180"	326.24841	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-H2O-H"	-19.01839
"72892"	229.170590666667	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M-3H"	-3.021828
"511358"	344.259524	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M-3H"	-3.021828
"886974"	114.081657333333	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-3H"	-3.021828
"7735"	344.259524	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M-2H"	-2.014552
"441827"	516.892924	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M-2H"	-2.014552
"820724"	171.626124	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-2H"	-2.014552
"78931"	689.526324	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M-H"	-1.007276
"518934"	1034.793124	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M-H"	-1.007276
"895885"	344.259524	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-H"	-1.007276
"48438"	706.552871	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M-2H+NH4"	16.019271
"489824"	1051.819671	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M-2H+NH4"	16.019271
"870905"	361.286071	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-2H+NH4"	16.019271
"31637"	711.508266	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M-2H+Na"	20.974666
"476181"	1056.775066	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M-2H+Na"	20.974666
"848758"	366.241466	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-2H+Na"	20.974666
"1622425"	366.241466	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Na-2H"	20.974666
"95675"	362.247863	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M-H+Cl"	33.962126
"538516"	534.881263	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M-H+Cl"	33.962126
"930941"	189.614463	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-H+Cl"	33.962126
"273873"	725.503002	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+Cl"	34.969402
"666294"	1070.769802	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+Cl"	34.969402
"1281612"	380.236202	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Cl"	34.969402
"30979"	727.482206	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M-2H+K"	36.948606
"463003"	1072.749006	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M-2H+K"	36.948606
"844088"	382.215406	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-2H+K"	36.948606
"1567576"	382.215406	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+K-2H"	36.948606
"955458"	390.264994	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-H+HCOOH"	44.998194
"370393"	735.531801	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+HCOOH-H"	44.998201
"356466"	749.547451	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+Hac-H"	59.013851
"1503111"	404.280651	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Hac-H"	59.013851
"968101"	412.246951	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-H+NaCOOH"	66.980151
"119926"	380.236202	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+2Cl"	69.938804
"561674"	552.869602	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+2Cl"	69.938804
"1032660"	207.602802	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2Cl"	69.938804
"1253699"	424.185685	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Br"	78.918885
"1316509"	426.241672	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Cl+HCOOH"	80.974872
"1332913"	448.223629	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Cl+NaCOOH"	102.956829
"923971"	458.252386	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M-H+CF3COOH"	112.985586
"1297400"	494.229064	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Cl+CF3COOH"	148.962264
"1370822"	310.254124	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H-2H2O"	-35.012676
"1386499"	328.2641	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H-H2O"	-17.0027
"284726"	691.540876	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+H"	1.007276
"681890"	1036.807676	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+H"	1.007276
"1362615"	346.274076	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H"	1.007276
"138784"	346.274076	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+2H"	2.014552
"576158"	518.907476	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+2H"	2.014552
"1050428"	173.640676	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2H"	2.014552
"215048"	231.185142666667	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+3H"	3.021828
"656797"	346.274076	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+3H"	3.021828
"1173831"	116.096209333333	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+3H"	3.021828
"434918"	708.567423	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+NH4"	18.033823
"800288"	1053.834223	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+NH4"	18.033823
"1693336"	363.300623	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+NH4"	18.033823
"338333"	354.7873495	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+H+NH4"	19.041099
"730753"	527.4207495	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+H+NH4"	19.041099
"1486758"	182.1539495	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H+NH4"	19.041099
"402156"	713.522818	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+Na"	22.989218
"763151"	1058.789618	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+Na"	22.989218
"1612342"	368.256018	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Na"	22.989218
"322381"	357.265047	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+H+Na"	23.996494
"714802"	529.898447	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+H+Na"	23.996494
"1468627"	184.631647	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H+Na"	23.996494
"1058591"	123.423523333333	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2H+Na"	25.00377
"1265736"	378.300286	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+CH3OH+H"	33.033486
"384311"	729.496758	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+K"	38.963158
"749680"	1074.763558	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+K"	38.963158
"1549546"	384.229958	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+K"	38.963158
"307816"	365.252017	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+H+K"	39.970434
"702426"	537.885417	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+H+K"	39.970434
"1458433"	192.618617	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H+K"	39.970434
"237558"	732.567426	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+ACN+H"	42.033826
"1212091"	387.300626	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+ACN+H"	42.033826
"1194232"	194.153951	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+ACN+2H"	43.041102
"188658"	735.50476	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+2Na-H"	44.97116
"630598"	1080.77156	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+2Na-H"	44.97116
"1136294"	390.23796	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2Na-H"	44.97116
"175940"	368.256018	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+2Na"	45.978436
"617323"	540.889418	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+2Na"	45.978436
"1116331"	195.622618	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2Na"	45.978436
"1404354"	130.750837333333	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H+2Na"	46.985712
"1432094"	392.279546	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H+HCOOH"	47.012746
"233460"	373.28904	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+3H2O+2H"	56.04448
"1517151"	406.33159	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+IsoProp+H"	61.06479
"419025"	376.242988	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+Na+K"	61.952376
"781114"	548.876388	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+Na+K"	61.952376
"1680603"	203.609588	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Na+K"	61.952376
"265056"	754.549368	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+ACN+Na"	64.015768
"1234484"	409.282568	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+ACN+Na"	64.015768
"1723370"	409.306093	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+NH4+HCOOH"	64.039293
"1185443"	138.078151333333	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+3Na"	68.967654
"1653148"	414.261488	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Na+HCOOH"	68.994688
"160371"	767.45264	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+2K-H"	76.91904
"602849"	1112.71944	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+2K-H"	76.91904
"1088455"	422.18584	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2K-H"	76.91904
"147456"	384.229958	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"2M+2K"	77.926316
"583739"	556.863358	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"3M+2K"	77.926316
"1071169"	211.596558	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2K"	77.926316
"1103659"	424.200392	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2K+H"	78.933592
"1345511"	424.288007	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+DMSO+H"	79.021207
"1016232"	428.327176	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2ACN+H"	83.060376
"1529980"	429.320808	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+IsoProp+Na+H"	84.054008
"998616"	214.667226	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+2ACN+2H"	84.067652
"1599685"	430.235428	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+K+HCOOH"	84.968628
"1428991"	460.266938	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+H+CF3COOH"	115.000138
"1162191"	235.180501	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+3ACN+2H"	125.094202
"1706273"	477.293485	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+NH4+CF3COOH"	132.026685
"1644112"	482.24888	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+Na+CF3COOH"	136.98208
"1575389"	498.22282	"C10598"	"Himbacine"	"C22H35NO2"	"345.2668"	"M+K+CF3COOH"	152.95602
"812317"	490.3308	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M"	0
"979290"	471.31241	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-H2O-H"	-19.01839
"74095"	325.879924	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M-3H"	-3.021828
"511468"	489.323524	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M-3H"	-3.021828
"887084"	162.436324	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-3H"	-3.021828
"7845"	489.323524	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M-2H"	-2.014552
"443030"	734.488924	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M-2H"	-2.014552
"820834"	244.158124	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-2H"	-2.014552
"79731"	979.654324	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M-H"	-1.007276
"520382"	1469.985124	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M-H"	-1.007276
"902555"	489.323524	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-H"	-1.007276
"50371"	996.680871	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M-2H+NH4"	16.019271
"496492"	1487.011671	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M-2H+NH4"	16.019271
"872106"	506.350071	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-2H+NH4"	16.019271
"42195"	1001.636266	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M-2H+Na"	20.974666
"474104"	1491.967066	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M-2H+Na"	20.974666
"851903"	511.305466	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-2H+Na"	20.974666
"1619979"	511.305466	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Na-2H"	20.974666
"96878"	507.311863	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M-H+Cl"	33.962126
"537532"	752.477263	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M-H+Cl"	33.962126
"929592"	262.146463	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-H+Cl"	33.962126
"272889"	1015.631002	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+Cl"	34.969402
"668590"	1505.961802	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+Cl"	34.969402
"1278805"	525.300202	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Cl"	34.969402
"28657"	1017.610206	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M-2H+K"	36.948606
"466395"	1507.941006	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M-2H+K"	36.948606
"842011"	527.279406	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-2H+K"	36.948606
"1568778"	527.279406	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+K-2H"	36.948606
"954473"	535.328994	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-H+HCOOH"	44.998194
"370502"	1025.659801	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+HCOOH-H"	44.998201
"354386"	1039.675451	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+Hac-H"	59.013851
"1502125"	549.344651	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Hac-H"	59.013851
"966388"	557.310951	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-H+NaCOOH"	66.980151
"121493"	525.300202	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+2Cl"	69.938804
"561054"	770.465602	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+2Cl"	69.938804
"1034231"	280.134802	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2Cl"	69.938804
"1253078"	569.249685	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Br"	78.918885
"1313338"	571.305672	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Cl+HCOOH"	80.974872
"1330836"	593.287629	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Cl+NaCOOH"	102.956829
"921530"	603.316386	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M-H+CF3COOH"	112.985586
"1296416"	639.293064	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Cl+CF3COOH"	148.962264
"1376763"	455.318124	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H-2H2O"	-35.012676
"1385874"	473.3281	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H-H2O"	-17.0027
"284472"	981.668876	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+H"	1.007276
"684184"	1471.999676	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+H"	1.007276
"1361633"	491.338076	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H"	1.007276
"137801"	491.338076	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+2H"	2.014552
"575175"	736.503476	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+2H"	2.014552
"1047258"	246.172676	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2H"	2.014552
"212969"	327.894476	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+3H"	3.021828
"653627"	491.338076	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+3H"	3.021828
"1175035"	164.450876	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+3H"	3.021828
"436121"	998.695423	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+NH4"	18.033823
"800398"	1489.026223	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+NH4"	18.033823
"1693811"	508.364623	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+NH4"	18.033823
"339536"	499.8513495	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+H+NH4"	19.041099
"730863"	745.0167495	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+H+NH4"	19.041099
"1487962"	254.6859495	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H+NH4"	19.041099
"401173"	1003.650818	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+Na"	22.989218
"763261"	1493.981618	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+Na"	22.989218
"1611359"	513.320018	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Na"	22.989218
"323584"	502.329047	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+H+Na"	23.996494
"713819"	747.494447	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+H+Na"	23.996494
"1465459"	257.163647	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H+Na"	23.996494
"1056516"	171.77819	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2H+Na"	25.00377
"1264752"	523.364286	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+CH3OH+H"	33.033486
"384421"	1019.624758	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+K"	38.963158
"745416"	1509.955558	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+K"	38.963158
"1551478"	529.293958	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+K"	38.963158
"313028"	510.316017	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+H+K"	39.970434
"703630"	755.481417	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+H+K"	39.970434
"1458544"	265.150617	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H+K"	39.970434
"238397"	1022.695426	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+ACN+H"	42.033826
"1211107"	532.364626	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+ACN+H"	42.033826
"1194346"	266.685951	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+ACN+2H"	43.041102
"193335"	1025.63276	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+2Na-H"	44.97116
"633987"	1515.96356	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+2Na-H"	44.97116
"1135675"	535.30196	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2Na-H"	44.97116
"176050"	513.320018	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+2Na"	45.978436
"617797"	758.485418	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+2Na"	45.978436
"1124220"	268.154618	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2Na"	45.978436
"1404828"	179.105504	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H+2Na"	46.985712
"1433297"	537.343546	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H+HCOOH"	47.012746
"231385"	518.35304	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+3H2O+2H"	56.04448
"1516168"	551.39559	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+IsoProp+H"	61.06479
"421323"	521.306988	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+Na+K"	61.952376
"779038"	766.472388	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+Na+K"	61.952376
"1677556"	276.141588	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Na+K"	61.952376
"264073"	1044.677368	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+ACN+Na"	64.015768
"1236781"	554.346568	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+ACN+Na"	64.015768
"1721293"	554.370093	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+NH4+HCOOH"	64.039293
"1187740"	186.432818	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+3Na"	68.967654
"1654351"	559.325488	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Na+HCOOH"	68.994688
"165585"	1057.58064	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+2K-H"	76.91904
"605143"	1547.91144	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+2K-H"	76.91904
"1095123"	567.24984	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2K-H"	76.91904
"147567"	529.293958	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"2M+2K"	77.926316
"595754"	774.459358	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"3M+2K"	77.926316
"1073827"	284.128558	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2K"	77.926316
"1103769"	569.264392	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2K+H"	78.933592
"1344528"	569.352007	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+DMSO+H"	79.021207
"1009781"	573.391176	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2ACN+H"	83.060376
"1527904"	574.384808	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+IsoProp+Na+H"	84.054008
"994349"	287.199226	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+2ACN+2H"	84.067652
"1598702"	575.299428	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+K+HCOOH"	84.968628
"1424357"	605.330938	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+H+CF3COOH"	115.000138
"1160844"	307.712501	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+3ACN+2H"	125.094202
"1706383"	622.357485	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+NH4+CF3COOH"	132.026685
"1640942"	627.31288	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+Na+CF3COOH"	136.98208
"1578779"	643.28682	"C10599"	"Homaline"	"C30H42N4O2"	"490.3308"	"M+K+CF3COOH"	152.95602
"809147"	158.0328	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M"	0
"977213"	139.01441	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-H2O-H"	-19.01839
"72018"	104.347924	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M-3H"	-3.021828
"510484"	157.025524	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M-3H"	-3.021828
"887194"	51.670324	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-3H"	-3.021828
"10142"	157.025524	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M-2H"	-2.014552
"448611"	236.041924	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M-2H"	-2.014552
"822037"	78.009124	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-2H"	-2.014552
"82031"	315.058324	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M-H"	-1.007276
"518543"	473.091124	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M-H"	-1.007276
"895900"	157.025524	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-H"	-1.007276
"49393"	332.084871	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M-2H+NH4"	16.019271
"488221"	490.117671	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M-2H+NH4"	16.019271
"865902"	174.052071	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-2H+NH4"	16.019271
"33682"	337.040266	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M-2H+Na"	20.974666
"473363"	495.073066	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M-2H+Na"	20.974666
"850920"	179.007466	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-2H+Na"	20.974666
"1619481"	179.007466	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Na-2H"	20.974666
"95893"	175.013863	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M-H+Cl"	33.962126
"537641"	254.030263	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M-H+Cl"	33.962126
"928233"	95.997463	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-H+Cl"	33.962126
"270447"	351.035002	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+Cl"	34.969402
"663233"	509.067802	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+Cl"	34.969402
"1282929"	193.002202	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Cl"	34.969402
"24393"	353.014206	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M-2H+K"	36.948606
"470882"	511.047006	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M-2H+K"	36.948606
"847347"	194.981406	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-2H+K"	36.948606
"1570715"	194.981406	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+K-2H"	36.948606
"957142"	203.030994	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-H+HCOOH"	44.998194
"373896"	361.063801	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+HCOOH-H"	44.998201
"356321"	375.079451	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+Hac-H"	59.013851
"1504789"	217.046651	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Hac-H"	59.013851
"970142"	225.012951	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-H+NaCOOH"	66.980151
"121239"	193.002202	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+2Cl"	69.938804
"561893"	272.018602	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+2Cl"	69.938804
"1029238"	113.985802	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2Cl"	69.938804
"1251002"	236.951685	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Br"	78.918885
"1311625"	239.007672	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Cl+HCOOH"	80.974872
"1330947"	260.989629	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Cl+NaCOOH"	102.956829
"918724"	271.018386	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M-H+CF3COOH"	112.985586
"1295432"	306.995064	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Cl+CF3COOH"	148.962264
"1376874"	123.020124	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H-2H2O"	-35.012676
"1387444"	141.0301	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H-H2O"	-17.0027
"286769"	317.072876	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+H"	1.007276
"679192"	475.105676	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+H"	1.007276
"1361742"	159.040076	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H"	1.007276
"134631"	159.040076	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+2H"	2.014552
"575284"	238.056476	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+2H"	2.014552
"1045181"	80.023676	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2H"	2.014552
"214172"	106.362476	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+3H"	3.021828
"653737"	159.040076	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+3H"	3.021828
"1178071"	53.684876	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+3H"	3.021828
"439756"	334.099423	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+NH4"	18.033823
"801124"	492.132223	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+NH4"	18.033823
"1694285"	176.066623	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+NH4"	18.033823
"338553"	167.5533495	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+H+NH4"	19.041099
"734254"	246.5697495	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+H+NH4"	19.041099
"1486979"	88.5369495	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H+NH4"	19.041099
"401283"	339.054818	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+Na"	22.989218
"764466"	497.087618	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+Na"	22.989218
"1611471"	181.022018	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Na"	22.989218
"322602"	170.031047	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+H+Na"	23.996494
"713932"	249.047447	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+H+Na"	23.996494
"1463381"	91.014647	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H+Na"	23.996494
"1056622"	61.01219	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2H+Na"	25.00377
"1261583"	191.066286	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+CH3OH+H"	33.033486
"379065"	355.028758	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+K"	38.963158
"742245"	513.061558	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+K"	38.963158
"1541017"	196.995958	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+K"	38.963158
"303661"	178.018017	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+H+K"	39.970434
"698268"	257.034417	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+H+K"	39.970434
"1455369"	99.001617	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H+K"	39.970434
"239602"	358.099426	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+ACN+H"	42.033826
"1210852"	200.066626	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+ACN+H"	42.033826
"1196565"	100.536951	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+ACN+2H"	43.041102
"192349"	361.03676	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+2Na-H"	44.97116
"630815"	519.06956	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+2Na-H"	44.97116
"1136513"	203.00396	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2Na-H"	44.97116
"174457"	181.022018	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+2Na"	45.978436
"614017"	260.038418	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+2Na"	45.978436
"1117404"	102.005618	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2Na"	45.978436
"1401658"	68.339504	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H+2Na"	46.985712
"1432314"	205.045546	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H+HCOOH"	47.012746
"231495"	186.05504	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+3H2O+2H"	56.04448
"1516279"	219.09759	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+IsoProp+H"	61.06479
"419244"	189.008988	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+Na+K"	61.952376
"780239"	268.025388	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+Na+K"	61.952376
"1676570"	109.992588	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Na+K"	61.952376
"259809"	380.081368	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+ACN+Na"	64.015768
"1231424"	222.048568	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+ACN+Na"	64.015768
"1717030"	222.072093	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+NH4+HCOOH"	64.039293
"1184570"	75.666818	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+3Na"	68.967654
"1654461"	227.027488	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Na+HCOOH"	68.994688
"163510"	392.98464	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+2K-H"	76.91904
"598696"	551.01744	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+2K-H"	76.91904
"1087946"	234.95184	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2K-H"	76.91904
"146586"	196.995958	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"2M+2K"	77.926316
"587238"	276.012358	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"3M+2K"	77.926316
"1071751"	117.979558	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2K"	77.926316
"1102048"	236.966392	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2K+H"	78.933592
"1340254"	237.054007	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+DMSO+H"	79.021207
"1007698"	241.093176	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2ACN+H"	83.060376
"1526916"	242.086808	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+IsoProp+Na+H"	84.054008
"991176"	121.050226	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+2ACN+2H"	84.067652
"1588964"	243.001428	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+K+HCOOH"	84.968628
"1425560"	273.032938	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+H+CF3COOH"	115.000138
"1153661"	141.563501	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+3ACN+2H"	125.094202
"1706493"	290.059485	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+NH4+CF3COOH"	132.026685
"1641052"	295.01488	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+Na+CF3COOH"	136.98208
"1578889"	310.98882	"C10600"	"Ibotenic acid"	"C5H6N2O4"	"158.0328"	"M+K+CF3COOH"	152.95602
"809257"	337.1314	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M"	0
"977323"	318.11301	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-H2O-H"	-19.01839
"71035"	223.746990666667	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M-3H"	-3.021828
"506219"	336.124124	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M-3H"	-3.021828
"887304"	111.369857333333	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-3H"	-3.021828
"10253"	336.124124	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M-2H"	-2.014552
"447628"	504.689824	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M-2H"	-2.014552
"818866"	167.558424	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-2H"	-2.014552
"79584"	673.255524	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M-H"	-1.007276
"518900"	1010.386924	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M-H"	-1.007276
"896211"	336.124124	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-H"	-1.007276
"48652"	690.282071	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M-2H+NH4"	16.019271
"490154"	1027.413471	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M-2H+NH4"	16.019271
"865524"	353.150671	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-2H+NH4"	16.019271
"34764"	695.237466	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M-2H+Na"	20.974666
"479790"	1032.368866	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M-2H+Na"	20.974666
"853218"	358.106066	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-2H+Na"	20.974666
"1624938"	358.106066	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Na-2H"	20.974666
"96730"	354.112463	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M-H+Cl"	33.962126
"537022"	522.678163	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M-H+Cl"	33.962126
"927658"	185.546763	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-H+Cl"	33.962126
"270557"	709.232202	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+Cl"	34.969402
"663707"	1046.363602	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+Cl"	34.969402
"1279028"	372.100802	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Cl"	34.969402
"22677"	711.211406	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M-2H+K"	36.948606
"467344"	1048.342806	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M-2H+K"	36.948606
"847345"	374.080006	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-2H+K"	36.948606
"1569374"	374.080006	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+K-2H"	36.948606
"957615"	382.129594	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-H+HCOOH"	44.998194
"375100"	719.261001	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+HCOOH-H"	44.998201
"356431"	733.276651	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+Hac-H"	59.013851
"1504899"	396.145251	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Hac-H"	59.013851
"969160"	404.111551	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-H+NaCOOH"	66.980151
"121715"	372.100802	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+2Cl"	69.938804
"559455"	540.666502	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+2Cl"	69.938804
"1031535"	203.535102	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2Cl"	69.938804
"1252205"	416.050285	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Br"	78.918885
"1310278"	418.106272	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Cl+HCOOH"	80.974872
"1325590"	440.088229	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Cl+NaCOOH"	102.956829
"919927"	450.116986	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M-H+CF3COOH"	112.985586
"1294449"	486.093664	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Cl+CF3COOH"	148.962264
"1376984"	302.118724	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H-2H2O"	-35.012676
"1385366"	320.1287	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H-H2O"	-17.0027
"285782"	675.270076	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+H"	1.007276
"678568"	1012.401476	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+H"	1.007276
"1365132"	338.138676	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H"	1.007276
"136926"	338.138676	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+2H"	2.014552
"575394"	506.704376	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+2H"	2.014552
"1048568"	169.572976	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2H"	2.014552
"217561"	225.761542666667	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+3H"	3.021828
"657488"	338.138676	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+3H"	3.021828
"1171968"	113.384409333333	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+3H"	3.021828
"431964"	692.296623	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+NH4"	18.033823
"792957"	1029.428023	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+NH4"	18.033823
"1691475"	355.165223	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+NH4"	18.033823
"336470"	346.6519495	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+H+NH4"	19.041099
"732174"	515.2176495	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+H+NH4"	19.041099
"1488181"	178.0862495	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H+NH4"	19.041099
"405766"	697.252018	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+Na"	22.989218
"766761"	1034.383418	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+Na"	22.989218
"1617045"	360.120618	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Na"	22.989218
"329149"	349.129647	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+H+Na"	23.996494
"712950"	517.695347	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+H+Na"	23.996494
"1461667"	180.563947	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H+Na"	23.996494
"1056733"	120.711723333333	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2H+Na"	25.00377
"1260600"	370.164886	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+CH3OH+H"	33.033486
"378204"	713.225958	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+K"	38.963158
"743450"	1050.357358	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+K"	38.963158
"1542583"	376.094558	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+K"	38.963158
"301584"	357.116617	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+H+K"	39.970434
"695099"	525.682317	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+H+K"	39.970434
"1452201"	188.550917	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H+K"	39.970434
"238255"	716.296626	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+ACN+H"	42.033826
"1212055"	379.165226	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+ACN+H"	42.033826
"1197401"	190.086251	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+ACN+2H"	43.041102
"189783"	719.23396	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+2Na-H"	44.97116
"629586"	1056.36536	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+2Na-H"	44.97116
"1136619"	382.10256	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2Na-H"	44.97116
"175174"	360.120618	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+2Na"	45.978436
"614492"	528.686318	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+2Na"	45.978436
"1118243"	191.554918	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2Na"	45.978436
"1404320"	128.039037333333	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H+2Na"	46.985712
"1435339"	384.144146	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H+HCOOH"	47.012746
"229415"	365.15364	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+3H2O+2H"	56.04448
"1517482"	398.19619	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+IsoProp+H"	61.06479
"419354"	368.107588	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+Na+K"	61.952376
"780349"	536.673288	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+Na+K"	61.952376
"1678867"	199.541888	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Na+K"	61.952376
"258826"	738.278568	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+ACN+Na"	64.015768
"1232627"	401.147168	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+ACN+Na"	64.015768
"1718232"	401.170693	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+NH4+HCOOH"	64.039293
"1181398"	135.366351333333	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+3Na"	68.967654
"1651656"	406.126088	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Na+HCOOH"	68.994688
"161431"	751.18184	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+2K-H"	76.91904
"602085"	1088.31324	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+2K-H"	76.91904
"1087691"	414.05044	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2K-H"	76.91904
"147789"	376.094558	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"2M+2K"	77.926316
"587348"	544.660258	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"3M+2K"	77.926316
"1071861"	207.528858	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2K"	77.926316
"1105074"	416.064992	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2K+H"	78.933592
"1338177"	416.152607	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+DMSO+H"	79.021207
"1006714"	420.191776	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2ACN+H"	83.060376
"1524960"	421.185408	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+IsoProp+Na+H"	84.054008
"990188"	210.599526	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+2ACN+2H"	84.067652
"1590167"	422.100028	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+K+HCOOH"	84.968628
"1424577"	452.131538	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+H+CF3COOH"	115.000138
"1153771"	231.112801	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+3ACN+2H"	125.094202
"1706603"	469.158085	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+NH4+CF3COOH"	132.026685
"1637882"	474.11348	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+Na+CF3COOH"	136.98208
"1578999"	490.08742	"C10601"	"Isoficine;4H-1-Benzopyran-4-one 57-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-"	"C20H19NO4"	"337.1314"	"M+K+CF3COOH"	152.95602
"809367"	383.1005	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M"	0
"982902"	364.08211	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-H2O-H"	-19.01839
"71145"	254.393057333333	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M-3H"	-3.021828
"509612"	382.093224	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M-3H"	-3.021828
"887418"	126.692890666667	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-3H"	-3.021828
"4899"	382.093224	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M-2H"	-2.014552
"447739"	573.643474	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M-2H"	-2.014552
"822259"	190.542974	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-2H"	-2.014552
"82252"	765.193724	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M-H"	-1.007276
"520108"	1148.294224	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M-H"	-1.007276
"896204"	382.093224	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-H"	-1.007276
"50707"	782.220271	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M-2H+NH4"	16.019271
"492453"	1165.320771	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M-2H+NH4"	16.019271
"869161"	399.119771	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-2H+NH4"	16.019271
"37062"	787.175666	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M-2H+Na"	20.974666
"480994"	1170.276166	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M-2H+Na"	20.974666
"854424"	404.075166	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-2H+Na"	20.974666
"1620676"	404.075166	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Na-2H"	20.974666
"95747"	400.081563	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M-H+Cl"	33.962126
"536770"	591.631813	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M-H+Cl"	33.962126
"928218"	208.531313	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-H+Cl"	33.962126
"272490"	801.170402	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+Cl"	34.969402
"661021"	1184.270902	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+Cl"	34.969402
"1278044"	418.069902	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Cl"	34.969402
"21694"	803.149606	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M-2H+K"	36.948606
"471388"	1186.250106	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M-2H+K"	36.948606
"847808"	420.049106	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-2H+K"	36.948606
"1570979"	420.049106	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+K-2H"	36.948606
"956265"	428.098694	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-H+HCOOH"	44.998194
"374844"	811.199201	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+HCOOH-H"	44.998201
"358729"	825.214851	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+Hac-H"	59.013851
"1506103"	442.114351	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Hac-H"	59.013851
"970365"	450.080651	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-H+NaCOOH"	66.980151
"121460"	418.069902	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+2Cl"	69.938804
"562113"	609.620152	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+2Cl"	69.938804
"1030546"	226.519652	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2Cl"	69.938804
"1251953"	462.019385	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Br"	78.918885
"1317314"	464.075372	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Cl+HCOOH"	80.974872
"1332261"	486.057329	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Cl+NaCOOH"	102.956829
"923318"	496.086086	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M-H+CF3COOH"	112.985586
"1297839"	532.062764	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Cl+CF3COOH"	148.962264
"1377094"	348.087824	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H-2H2O"	-35.012676
"1397508"	366.0978	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H-H2O"	-17.0027
"293184"	767.208276	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+H"	1.007276
"683418"	1150.308776	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+H"	1.007276
"1359775"	384.107776	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H"	1.007276
"135943"	384.107776	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+2H"	2.014552
"578785"	575.658026	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+2H"	2.014552
"1049771"	192.557526	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2H"	2.014552
"217672"	256.407609333333	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+3H"	3.021828
"658329"	384.107776	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+3H"	3.021828
"1170988"	128.707442666667	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+3H"	3.021828
"438271"	784.234823	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+NH4"	18.033823
"794160"	1167.335323	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+NH4"	18.033823
"1691586"	401.134323	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+NH4"	18.033823
"340955"	392.6210495	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+H+NH4"	19.041099
"734470"	584.1712995	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+H+NH4"	19.041099
"1489384"	201.0707995	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H+NH4"	19.041099
"405876"	789.190218	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+Na"	22.989218
"766871"	1172.290718	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+Na"	22.989218
"1618008"	406.089718	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Na"	22.989218
"329138"	395.098747	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+H+Na"	23.996494
"721447"	586.648997	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+H+Na"	23.996494
"1464330"	203.548497	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H+Na"	23.996494
"1056844"	136.034756666667	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2H+Na"	25.00377
"1260709"	416.133986	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+CH3OH+H"	33.033486
"379285"	805.164158	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+K"	38.963158
"743558"	1188.264658	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+K"	38.963158
"1546704"	422.063658	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+K"	38.963158
"307162"	403.085717	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+H+K"	39.970434
"699585"	594.635967	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+H+K"	39.970434
"1451216"	211.535467	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H+K"	39.970434
"238730"	808.234826	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+ACN+H"	42.033826
"1214720"	425.134326	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+ACN+H"	42.033826
"1197512"	213.070801	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+ACN+2H"	43.041102
"189410"	811.17216	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+2Na-H"	44.97116
"629942"	1194.27266	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+2Na-H"	44.97116
"1136733"	428.07166	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2Na-H"	44.97116
"175648"	406.089718	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+2Na"	45.978436
"618493"	597.639968	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+2Na"	45.978436
"1122000"	214.539468	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2Na"	45.978436
"1406617"	143.362070666667	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H+2Na"	46.985712
"1432536"	430.113246	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H+HCOOH"	47.012746
"228432"	411.12274	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+3H2O+2H"	56.04448
"1512487"	444.16529	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+IsoProp+H"	61.06479
"411808"	414.076688	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+Na+K"	61.952376
"774992"	605.626938	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+Na+K"	61.952376
"1673509"	222.526438	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Na+K"	61.952376
"256748"	830.216768	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+ACN+Na"	64.015768
"1238205"	447.116268	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+ACN+Na"	64.015768
"1720530"	447.139793	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+NH4+HCOOH"	64.039293
"1182604"	150.689384666667	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+3Na"	68.967654
"1652495"	452.095188	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Na+HCOOH"	68.994688
"162637"	843.12004	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+2K-H"	76.91904
"601104"	1226.22054	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+2K-H"	76.91904
"1089990"	460.01954	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2K-H"	76.91904
"145347"	422.063658	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"2M+2K"	77.926316
"586365"	613.613908	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"3M+2K"	77.926316
"1071971"	230.513408	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2K"	77.926316
"1103361"	462.034092	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2K+H"	78.933592
"1341567"	462.121707	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+DMSO+H"	79.021207
"1007920"	466.160876	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2ACN+H"	83.060376
"1525191"	467.154508	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+IsoProp+Na+H"	84.054008
"996867"	233.584076	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+2ACN+2H"	84.067652
"1590277"	468.069128	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+K+HCOOH"	84.968628
"1418124"	498.100638	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+H+CF3COOH"	115.000138
"1160443"	254.097351	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+3ACN+2H"	125.094202
"1706713"	515.127185	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+NH4+CF3COOH"	132.026685
"1641270"	520.08258	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+Na+CF3COOH"	136.98208
"1575829"	536.05652	"C10602"	"Lilaline"	"C20H17NO7"	"383.1005"	"M+K+CF3COOH"	152.95602
"812757"	437.2315	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M"	0
"983012"	418.21311	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-H2O-H"	-19.01839
"72348"	290.480390666667	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M-3H"	-3.021828
"511909"	436.224224	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M-3H"	-3.021828
"885340"	144.736557333333	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-3H"	-3.021828
"2819"	436.224224	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M-2H"	-2.014552
"442378"	654.839974	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M-2H"	-2.014552
"819813"	217.608474	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-2H"	-2.014552
"80170"	873.455724	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M-H"	-1.007276
"519729"	1310.687224	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M-H"	-1.007276
"896234"	436.224224	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-H"	-1.007276
"48992"	890.482271	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M-2H+NH4"	16.019271
"490374"	1327.713771	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M-2H+NH4"	16.019271
"866351"	453.250771	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-2H+NH4"	16.019271
"42635"	895.437666	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M-2H+Na"	20.974666
"476729"	1332.669166	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M-2H+Na"	20.974666
"852343"	458.206166	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-2H+Na"	20.974666
"1619691"	458.206166	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Na-2H"	20.974666
"94636"	454.212563	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M-H+Cl"	33.962126
"536145"	672.828313	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M-H+Cl"	33.962126
"931122"	235.596813	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-H+Cl"	33.962126
"268221"	909.432402	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+Cl"	34.969402
"663560"	1346.663902	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+Cl"	34.969402
"1275598"	472.200902	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Cl"	34.969402
"17427"	911.411606	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M-2H+K"	36.948606
"461362"	1348.643106	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M-2H+K"	36.948606
"837342"	474.180106	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-2H+K"	36.948606
"1556455"	474.180106	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+K-2H"	36.948606
"957714"	482.229694	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-H+HCOOH"	44.998194
"372037"	919.461201	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+HCOOH-H"	44.998201
"351546"	933.476851	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+Hac-H"	59.013851
"1500380"	496.245351	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Hac-H"	59.013851
"966826"	504.211651	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-H+NaCOOH"	66.980151
"114642"	472.200902	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+2Cl"	69.938804
"557482"	690.816652	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+2Cl"	69.938804
"1029563"	253.585152	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2Cl"	69.938804
"1253153"	516.150385	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Br"	78.918885
"1310498"	518.206372	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Cl+HCOOH"	80.974872
"1332370"	540.188329	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Cl+NaCOOH"	102.956829
"923427"	550.217086	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M-H+CF3COOH"	112.985586
"1300135"	586.193764	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Cl+CF3COOH"	148.962264
"1377204"	402.218824	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H-2H2O"	-35.012676
"1393608"	420.2288	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H-H2O"	-17.0027
"293294"	875.470276	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+H"	1.007276
"680248"	1312.701776	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+H"	1.007276
"1360976"	438.238776	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H"	1.007276
"134959"	438.238776	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+2H"	2.014552
"577802"	656.854526	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+2H"	2.014552
"1050611"	219.623026	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2H"	2.014552
"217781"	292.494942666667	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+3H"	3.021828
"656981"	438.238776	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+3H"	3.021828
"1172188"	146.751109333333	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+3H"	3.021828
"433277"	892.496823	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+NH4"	18.033823
"796457"	1329.728323	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+NH4"	18.033823
"1691693"	455.265323	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+NH4"	18.033823
"343251"	446.7520495	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+H+NH4"	19.041099
"735674"	665.3677995	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+H+NH4"	19.041099
"1488401"	228.1362995	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H+NH4"	19.041099
"407081"	897.452218	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+Na"	22.989218
"768076"	1334.683718	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+Na"	22.989218
"1616174"	460.220718	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Na"	22.989218
"329248"	449.229747	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+H+Na"	23.996494
"719734"	667.845497	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+H+Na"	23.996494
"1464805"	230.613997	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H+Na"	23.996494
"1056226"	154.078423333333	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2H+Na"	25.00377
"1260453"	470.264986	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+CH3OH+H"	33.033486
"379757"	913.426158	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+K"	38.963158
"742578"	1350.657658	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+K"	38.963158
"1544630"	476.194658	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+K"	38.963158
"303993"	457.216717	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+H+K"	39.970434
"693499"	675.832467	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+H+K"	39.970434
"1449140"	238.600967	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H+K"	39.970434
"236288"	916.496826	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+ACN+H"	42.033826
"1211548"	479.265326	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+ACN+H"	42.033826
"1197621"	240.136301	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+ACN+2H"	43.041102
"192315"	919.43416	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+2Na-H"	44.97116
"633334"	1356.66566	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+2Na-H"	44.97116
"1133925"	482.20266	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2Na-H"	44.97116
"176851"	460.220718	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+2Na"	45.978436
"620790"	678.836468	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+2Na"	45.978436
"1120286"	241.604968	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2Na"	45.978436
"1403811"	161.405737333333	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H+2Na"	46.985712
"1433376"	484.244246	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H+HCOOH"	47.012746
"227449"	465.25374	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+3H2O+2H"	56.04448
"1515514"	498.29629	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+IsoProp+H"	61.06479
"415198"	468.207688	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+Na+K"	61.952376
"776195"	686.823438	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+Na+K"	61.952376
"1675806"	249.591938	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Na+K"	61.952376
"257951"	938.478768	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+ACN+Na"	64.015768
"1238315"	501.247268	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+ACN+Na"	64.015768
"1720640"	501.270793	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+NH4+HCOOH"	64.039293
"1181621"	168.733051333333	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+3Na"	68.967654
"1652605"	506.226188	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Na+HCOOH"	68.994688
"161654"	951.38204	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+2K-H"	76.91904
"601214"	1388.61354	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+2K-H"	76.91904
"1091193"	514.15054	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2K-H"	76.91904
"146185"	476.194658	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"2M+2K"	77.926316
"585745"	694.810408	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"3M+2K"	77.926316
"1070621"	257.578908	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2K"	77.926316
"1104200"	516.165092	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2K+H"	78.933592
"1341677"	516.252707	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+DMSO+H"	79.021207
"1009123"	520.291876	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2ACN+H"	83.060376
"1526155"	521.285508	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+IsoProp+Na+H"	84.054008
"996977"	260.649576	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+2ACN+2H"	84.067652
"1591480"	522.200128	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+K+HCOOH"	84.968628
"1419327"	552.231638	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+H+CF3COOH"	115.000138
"1160553"	281.162851	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+3ACN+2H"	125.094202
"1706823"	569.258185	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+NH4+CF3COOH"	132.026685
"1641380"	574.21358	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+Na+CF3COOH"	136.98208
"1575939"	590.18752	"C10603"	"Lunarine"	"C25H31N3O4"	"437.2315"	"M+K+CF3COOH"	152.95602
"809587"	479.2672	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M"	0
"983122"	460.24881	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-H2O-H"	-19.01839
"72458"	318.504190666667	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M-3H"	-3.021828
"514206"	478.259924	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M-3H"	-3.021828
"884357"	158.748457333333	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-3H"	-3.021828
"742"	478.259924	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M-2H"	-2.014552
"442486"	717.893524	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M-2H"	-2.014552
"818465"	238.626324	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-2H"	-2.014552
"79430"	957.527124	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M-H"	-1.007276
"519961"	1436.794324	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M-H"	-1.007276
"897035"	478.259924	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-H"	-1.007276
"47169"	974.553671	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M-2H+NH4"	16.019271
"487930"	1453.820871	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M-2H+NH4"	16.019271
"867191"	495.286471	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-2H+NH4"	16.019271
"40558"	979.509066	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M-2H+Na"	20.974666
"477931"	1458.776266	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M-2H+Na"	20.974666
"851360"	500.241866	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-2H+Na"	20.974666
"1619112"	500.241866	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Na-2H"	20.974666
"94417"	496.248263	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M-H+Cl"	33.962126
"539174"	735.881863	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M-H+Cl"	33.962126
"930504"	256.614663	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-H+Cl"	33.962126
"269181"	993.503802	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+Cl"	34.969402
"663670"	1472.771002	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+Cl"	34.969402
"1275344"	514.236602	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Cl"	34.969402
"18630"	995.483006	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M-2H+K"	36.948606
"461472"	1474.750206	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M-2H+K"	36.948606
"836723"	516.215806	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-2H+K"	36.948606
"1557658"	516.215806	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+K-2H"	36.948606
"948464"	524.265394	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-H+HCOOH"	44.998194
"367770"	1003.532601	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+HCOOH-H"	44.998201
"348377"	1017.548251	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+Hac-H"	59.013851
"1499397"	538.281051	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Hac-H"	59.013851
"961835"	546.247351	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-H+NaCOOH"	66.980151
"114753"	514.236602	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+2Cl"	69.938804
"557592"	753.870202	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+2Cl"	69.938804
"1028580"	274.603002	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2Cl"	69.938804
"1253628"	558.186085	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Br"	78.918885
"1311701"	560.242072	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Cl+HCOOH"	80.974872
"1333208"	582.224029	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Cl+NaCOOH"	102.956829
"923537"	592.252786	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M-H+CF3COOH"	112.985586
"1300245"	628.229464	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Cl+CF3COOH"	148.962264
"1377314"	444.254524	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H-2H2O"	-35.012676
"1390437"	462.2645	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H-H2O"	-17.0027
"292311"	959.541676	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+H"	1.007276
"680358"	1438.808876	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+H"	1.007276
"1361086"	480.274476	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H"	1.007276
"136164"	480.274476	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+2H"	2.014552
"575726"	719.908076	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+2H"	2.014552
"1049627"	240.640876	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2H"	2.014552
"214612"	320.518742666667	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+3H"	3.021828
"656359"	480.274476	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+3H"	3.021828
"1176672"	160.763009333333	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+3H"	3.021828
"432291"	976.568223	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+NH4"	18.033823
"792192"	1455.835423	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+NH4"	18.033823
"1692897"	497.301023	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+NH4"	18.033823
"342268"	488.7877495	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+H+NH4"	19.041099
"734689"	728.4213495	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+H+NH4"	19.041099
"1488511"	249.1541495	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H+NH4"	19.041099
"406827"	981.523618	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+Na"	22.989218
"768186"	1460.790818	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+Na"	22.989218
"1617865"	502.256418	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Na"	22.989218
"329237"	491.265447	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+H+Na"	23.996494
"717655"	730.899047	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+H+Na"	23.996494
"1462728"	251.631847	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H+Na"	23.996494
"1053784"	168.090323333333	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2H+Na"	25.00377
"1257647"	512.300686	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+CH3OH+H"	33.033486
"379138"	997.497558	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+K"	38.963158
"739082"	1476.764758	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+K"	38.963158
"1541461"	518.230358	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+K"	38.963158
"300823"	499.252417	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+H+K"	39.970434
"692029"	738.886017	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+H+K"	39.970434
"1446170"	259.618817	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H+K"	39.970434
"235827"	1000.568226	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+ACN+H"	42.033826
"1210440"	521.301026	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+ACN+H"	42.033826
"1195909"	261.154151	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+ACN+2H"	43.041102
"189751"	1003.50556	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+2Na-H"	44.97116
"630528"	1482.77276	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+2Na-H"	44.97116
"1131493"	524.23836	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2Na-H"	44.97116
"174046"	502.256418	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+2Na"	45.978436
"614337"	741.890018	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+2Na"	45.978436
"1118209"	262.622818	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2Na"	45.978436
"1402463"	175.417637333333	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H+2Na"	46.985712
"1434579"	526.279946	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H+HCOOH"	47.012746
"229745"	507.28944	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+3H2O+2H"	56.04448
"1515624"	540.33199	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+IsoProp+H"	61.06479
"417495"	510.243388	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+Na+K"	61.952376
"775213"	749.876988	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+Na+K"	61.952376
"1675916"	270.609788	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Na+K"	61.952376
"260248"	1022.550168	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+ACN+Na"	64.015768
"1238425"	543.282968	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+ACN+Na"	64.015768
"1720750"	543.306493	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+NH4+HCOOH"	64.039293
"1181731"	182.744951333333	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+3Na"	68.967654
"1654172"	548.261888	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Na+HCOOH"	68.994688
"163951"	1035.45344	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+2K-H"	76.91904
"602417"	1514.72064	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+2K-H"	76.91904
"1090209"	556.18624	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2K-H"	76.91904
"147025"	518.230358	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"2M+2K"	77.926316
"584155"	757.863958	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"3M+2K"	77.926316
"1070368"	278.596758	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2K"	77.926316
"1104312"	558.200792	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2K+H"	78.933592
"1339600"	558.288407	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+DMSO+H"	79.021207
"1008140"	562.327576	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2ACN+H"	83.060376
"1525290"	563.321208	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+IsoProp+Na+H"	84.054008
"997087"	281.667426	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+2ACN+2H"	84.067652
"1589404"	564.235828	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+K+HCOOH"	84.968628
"1417251"	594.267338	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+H+CF3COOH"	115.000138
"1161392"	302.180701	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+3ACN+2H"	125.094202
"1706933"	611.293885	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+NH4+CF3COOH"	132.026685
"1641490"	616.24928	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+Na+CF3COOH"	136.98208
"1579329"	632.22322	"C10604"	"Lythramine"	"C29H37NO5"	"479.2672"	"M+K+CF3COOH"	152.95602
"809697"	260.1161	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M"	0
"983232"	241.09771	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-H2O-H"	-19.01839
"72568"	172.403457333333	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M-3H"	-3.021828
"513223"	259.108824	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M-3H"	-3.021828
"884466"	85.6980906666667	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-3H"	-3.021828
"5226"	259.108824	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M-2H"	-2.014552
"443689"	389.166874	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M-2H"	-2.014552
"820399"	129.050774	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-2H"	-2.014552
"79537"	519.224924	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M-H"	-1.007276
"520072"	779.341024	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M-H"	-1.007276
"896168"	259.108824	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-H"	-1.007276
"47507"	536.251471	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M-2H+NH4"	16.019271
"488650"	796.367571	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M-2H+NH4"	16.019271
"864990"	276.135371	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-2H+NH4"	16.019271
"37388"	541.206866	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M-2H+Na"	20.974666
"472573"	801.322966	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M-2H+Na"	20.974666
"849279"	281.090766	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-2H+Na"	20.974666
"1619425"	281.090766	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Na-2H"	20.974666
"95345"	277.097163	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M-H+Cl"	33.962126
"540377"	407.155213	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M-H+Cl"	33.962126
"930251"	147.039113	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-H+Cl"	33.962126
"267629"	555.201602	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+Cl"	34.969402
"662686"	815.317702	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+Cl"	34.969402
"1277278"	295.085502	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Cl"	34.969402
"20198"	557.180806	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M-2H+K"	36.948606
"462675"	817.296906	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M-2H+K"	36.948606
"840476"	297.064706	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-2H+K"	36.948606
"1556350"	297.064706	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+K-2H"	36.948606
"946018"	305.114294	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-H+HCOOH"	44.998194
"366056"	565.230401	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+HCOOH-H"	44.998201
"350673"	579.246051	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+Hac-H"	59.013851
"1497319"	319.129951	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Hac-H"	59.013851
"962309"	327.096251	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-H+NaCOOH"	66.980151
"114858"	295.085502	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+2Cl"	69.938804
"555149"	425.143552	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+2Cl"	69.938804
"1027592"	165.027452	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2Cl"	69.938804
"1244617"	339.034985	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Br"	78.918885
"1315091"	341.090972	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Cl+HCOOH"	80.974872
"1325660"	363.072929	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Cl+NaCOOH"	102.956829
"924377"	373.101686	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M-H+CF3COOH"	112.985586
"1298169"	409.078364	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Cl+CF3COOH"	148.962264
"1373050"	225.103424	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H-2H2O"	-35.012676
"1390548"	243.1134	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H-H2O"	-17.0027
"294607"	521.239476	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+H"	1.007276
"681924"	781.355576	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+H"	1.007276
"1361196"	261.123376	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H"	1.007276
"140646"	261.123376	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+2H"	2.014552
"580209"	391.181426	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+2H"	2.014552
"1052288"	131.065326	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2H"	2.014552
"216909"	174.418009333333	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+3H"	3.021828
"657564"	261.123376	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+3H"	3.021828
"1175688"	87.7126426666667	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+3H"	3.021828
"439568"	538.266023	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+NH4"	18.033823
"793396"	798.382123	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+NH4"	18.033823
"1694099"	278.149923	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+NH4"	18.033823
"343475"	269.6366495	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+H+NH4"	19.041099
"738082"	399.6946995	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+H+NH4"	19.041099
"1491538"	139.5785995	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H+NH4"	19.041099
"408031"	543.221418	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+Na"	22.989218
"769403"	803.337518	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+Na"	22.989218
"1618148"	283.105318	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Na"	22.989218
"329516"	272.114347	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+H+Na"	23.996494
"715578"	402.172397	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+H+Na"	23.996494
"1462473"	142.056297	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H+Na"	23.996494
"1054499"	95.0399566666667	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2H+Na"	25.00377
"1258851"	293.149586	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+CH3OH+H"	33.033486
"378885"	559.195358	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+K"	38.963158
"739759"	819.311458	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+K"	38.963158
"1541935"	299.079258	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+K"	38.963158
"302026"	280.101317	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+H+K"	39.970434
"693356"	410.159367	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+H+K"	39.970434
"1446201"	150.043267	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H+K"	39.970434
"236142"	562.266026	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+ACN+H"	42.033826
"1210307"	302.149926	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+ACN+H"	42.033826
"1194966"	151.578601	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+ACN+2H"	43.041102
"188881"	565.20336	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+2Na-H"	44.97116
"629666"	825.31946	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+2Na-H"	44.97116
"1133052"	305.08726	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2Na-H"	44.97116
"173668"	283.105318	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+2Na"	45.978436
"616637"	413.163368	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+2Na"	45.978436
"1119049"	153.047268	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2Na"	45.978436
"1404760"	102.367270666667	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H+2Na"	46.985712
"1435783"	307.128846	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H+HCOOH"	47.012746
"232041"	288.13834	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+3H2O+2H"	56.04448
"1516827"	321.18089	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+IsoProp+H"	61.06479
"420885"	291.092288	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+Na+K"	61.952376
"777509"	421.150338	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+Na+K"	61.952376
"1674932"	161.034238	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Na+K"	61.952376
"261451"	584.247968	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+ACN+Na"	64.015768
"1233066"	324.131868	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+ACN+Na"	64.015768
"1724139"	324.155393	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+NH4+HCOOH"	64.039293
"1184027"	109.694584666667	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+3Na"	68.967654
"1656106"	329.110788	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Na+HCOOH"	68.994688
"168435"	597.15124	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+2K-H"	76.91904
"603620"	857.26734	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+2K-H"	76.91904
"1091411"	337.03514	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2K-H"	76.91904
"153695"	299.079258	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"2M+2K"	77.926316
"586696"	429.137308	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"3M+2K"	77.926316
"1083601"	169.021208	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2K"	77.926316
"1104417"	339.049692	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2K+H"	78.933592
"1340803"	339.137307	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+DMSO+H"	79.021207
"1013707"	343.176476	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2ACN+H"	83.060376
"1525159"	344.170108	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+IsoProp+Na+H"	84.054008
"993918"	172.091876	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+2ACN+2H"	84.067652
"1589514"	345.084728	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+K+HCOOH"	84.968628
"1416632"	375.116238	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+H+CF3COOH"	115.000138
"1160045"	192.605151	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+3ACN+2H"	125.094202
"1707043"	392.142785	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+NH4+CF3COOH"	132.026685
"1638320"	397.09818	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+Na+CF3COOH"	136.98208
"1572877"	413.07212	"C10605"	"Maculosin;Cyclo(L-Pro-L-Tyr)"	"C14H16N2O3"	"260.1161"	"M+K+CF3COOH"	152.95602
"815275"	691.2872	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M"	0
"986258"	672.26881	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-H2O-H"	-19.01839
"72678"	459.850857333333	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M-3H"	-3.021828
"513333"	690.279924	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M-3H"	-3.021828
"880603"	229.421790666667	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-3H"	-3.021828
"3149"	690.279924	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M-2H"	-2.014552
"443799"	1035.923524	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M-2H"	-2.014552
"820509"	344.636324	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-2H"	-2.014552
"80136"	1381.567124	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M-H"	-1.007276
"520425"	2072.854324	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M-H"	-1.007276
"896646"	690.279924	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-H"	-1.007276
"48348"	1398.593671	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M-2H+NH4"	16.019271
"488149"	2089.880871	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M-2H+NH4"	16.019271
"864368"	707.306471	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-2H+NH4"	16.019271
"32028"	1403.549066	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M-2H+Na"	20.974666
"473777"	2094.836266	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M-2H+Na"	20.974666
"848863"	712.261866	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-2H+Na"	20.974666
"1618761"	712.261866	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Na-2H"	20.974666
"94725"	708.268263	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M-H+Cl"	33.962126
"539394"	1053.911863	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M-H+Cl"	33.962126
"935100"	362.624663	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-H+Cl"	33.962126
"273292"	1417.543802	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+Cl"	34.969402
"663525"	2108.831002	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+Cl"	34.969402
"1281398"	726.256602	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Cl"	34.969402
"20672"	1419.523006	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M-2H+K"	36.948606
"464973"	2110.810206	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M-2H+K"	36.948606
"842044"	728.235806	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-2H+K"	36.948606
"1561887"	728.235806	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+K-2H"	36.948606
"947587"	736.285394	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-H+HCOOH"	44.998194
"366897"	1427.572601	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+HCOOH-H"	44.998201
"352971"	1441.588251	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+Hac-H"	59.013851
"1499613"	750.301051	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Hac-H"	59.013851
"962779"	758.267351	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-H+NaCOOH"	66.980151
"113509"	726.256602	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+2Cl"	69.938804
"552704"	1071.900202	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+2Cl"	69.938804
"1027702"	380.613002	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2Cl"	69.938804
"1243997"	770.206085	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Br"	78.918885
"1315200"	772.262072	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Cl+HCOOH"	80.974872
"1331602"	794.244029	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Cl+NaCOOH"	102.956829
"920473"	804.272786	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M-H+CF3COOH"	112.985586
"1297184"	840.249464	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Cl+CF3COOH"	148.962264
"1370973"	656.274524	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H-2H2O"	-35.012676
"1397098"	674.2845	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H-H2O"	-17.0027
"294717"	1383.581676	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+H"	1.007276
"681670"	2074.868876	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+H"	1.007276
"1366891"	692.294476	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H"	1.007276
"140756"	692.294476	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+2H"	2.014552
"581292"	1037.938076	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+2H"	2.014552
"1051305"	346.650876	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2H"	2.014552
"218112"	461.865409333333	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+3H"	3.021828
"658406"	692.294476	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+3H"	3.021828
"1177136"	231.436342666667	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+3H"	3.021828
"439559"	1400.608223	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+NH4"	18.033823
"798245"	2091.895423	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+NH4"	18.033823
"1690929"	709.321023	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+NH4"	18.033823
"345288"	700.8077495	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+H+NH4"	19.041099
"737464"	1046.4513495	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+H+NH4"	19.041099
"1491648"	355.1641495	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H+NH4"	19.041099
"407411"	1405.563618	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+Na"	22.989218
"769712"	2096.850818	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+Na"	22.989218
"1618302"	714.276418	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Na"	22.989218
"329703"	703.285447	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+H+Na"	23.996494
"716774"	1048.929047	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+H+Na"	23.996494
"1470601"	357.641847	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H+Na"	23.996494
"1054370"	238.763656666667	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2H+Na"	25.00377
"1258351"	724.320686	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+CH3OH+H"	33.033486
"380089"	1421.537558	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+K"	38.963158
"738898"	2112.824758	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+K"	38.963158
"1541316"	730.250358	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+K"	38.963158
"301044"	711.272417	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+H+K"	39.970434
"693466"	1056.916017	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+H+K"	39.970434
"1446189"	365.628817	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H+K"	39.970434
"236253"	1424.608226	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+ACN+H"	42.033826
"1210019"	733.321026	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+ACN+H"	42.033826
"1194911"	367.164151	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+ACN+2H"	43.041102
"188913"	1427.54556	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+2Na-H"	44.97116
"629532"	2118.83276	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+2Na-H"	44.97116
"1133160"	736.25836	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2Na-H"	44.97116
"177181"	714.276418	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+2Na"	45.978436
"616382"	1059.920018	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+2Na"	45.978436
"1119888"	368.632818	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2Na"	45.978436
"1405964"	246.090970666667	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H+2Na"	46.985712
"1435893"	738.299946	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H+HCOOH"	47.012746
"231061"	719.30944	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+3H2O+2H"	56.04448
"1519123"	752.35199	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+IsoProp+H"	61.06479
"418809"	722.263388	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+Na+K"	61.952376
"778713"	1067.906988	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+Na+K"	61.952376
"1676135"	376.619788	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Na+K"	61.952376
"261560"	1446.590168	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+ACN+Na"	64.015768
"1236456"	755.302968	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+ACN+Na"	64.015768
"1724249"	755.326493	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+NH4+HCOOH"	64.039293
"1187417"	253.418284666667	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+3Na"	68.967654
"1656216"	760.281888	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Na+HCOOH"	68.994688
"164170"	1459.49344	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+2K-H"	76.91904
"601908"	2150.78064	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+2K-H"	76.91904
"1089335"	768.20624	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2K-H"	76.91904
"150525"	730.250358	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"2M+2K"	77.926316
"586806"	1075.893958	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"3M+2K"	77.926316
"1081158"	384.606758	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2K"	77.926316
"1103434"	770.220792	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2K+H"	78.933592
"1340912"	770.308407	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+DMSO+H"	79.021207
"1010537"	774.347576	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2ACN+H"	83.060376
"1525393"	775.341208	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+IsoProp+Na+H"	84.054008
"991841"	387.677426	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+2ACN+2H"	84.067652
"1590718"	776.255828	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+K+HCOOH"	84.968628
"1418565"	806.287338	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+H+CF3COOH"	115.000138
"1160519"	408.190701	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+3ACN+2H"	125.094202
"1709341"	823.313885	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+NH4+CF3COOH"	132.026685
"1644991"	828.26928	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+Na+CF3COOH"	136.98208
"1576268"	844.24322	"C10606"	"Maytansine"	"C34H46ClN3O10"	"691.2872"	"M+K+CF3COOH"	152.95602
"815385"	261.1212	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M"	0
"983452"	242.10281	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-H2O-H"	-19.01839
"72788"	173.073524	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M-3H"	-3.021828
"512350"	260.113924	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M-3H"	-3.021828
"880310"	86.033124	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-3H"	-3.021828
"1801"	260.113924	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M-2H"	-2.014552
"441723"	390.674524	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M-2H"	-2.014552
"820619"	129.553324	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-2H"	-2.014552
"82796"	521.235124	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M-H"	-1.007276
"524545"	782.356324	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M-H"	-1.007276
"896026"	260.113924	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-H"	-1.007276
"48092"	538.261671	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M-2H+NH4"	16.019271
"487160"	799.382871	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M-2H+NH4"	16.019271
"864285"	277.140471	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-2H+NH4"	16.019271
"31855"	543.217066	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M-2H+Na"	20.974666
"471407"	804.338266	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M-2H+Na"	20.974666
"848645"	282.095866	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-2H+Na"	20.974666
"1618752"	282.095866	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Na-2H"	20.974666
"94317"	278.102263	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M-H+Cl"	33.962126
"538411"	408.662863	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M-H+Cl"	33.962126
"935210"	147.541663	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-H+Cl"	33.962126
"273038"	557.211802	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+Cl"	34.969402
"661569"	818.333002	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+Cl"	34.969402
"1280780"	296.090602	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Cl"	34.969402
"20418"	559.191006	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M-2H+K"	36.948606
"463989"	820.312206	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M-2H+K"	36.948606
"841790"	298.069806	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-2H+K"	36.948606
"1560904"	298.069806	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+K-2H"	36.948606
"947698"	306.119394	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-H+HCOOH"	44.998194
"367007"	567.240601	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+HCOOH-H"	44.998201
"353081"	581.256251	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+Hac-H"	59.013851
"1496443"	320.135051	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Hac-H"	59.013851
"959366"	328.101351	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-H+NaCOOH"	66.980151
"113254"	296.090602	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+2Cl"	69.938804
"550505"	426.651202	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+2Cl"	69.938804
"1025260"	165.530002	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2Cl"	69.938804
"1244472"	340.040085	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Br"	78.918885
"1310935"	342.096072	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Cl+HCOOH"	80.974872
"1331346"	364.078029	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Cl+NaCOOH"	102.956829
"918397"	374.106786	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M-H+CF3COOH"	112.985586
"1296201"	410.083464	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Cl+CF3COOH"	148.962264
"1372175"	226.108524	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H-2H2O"	-35.012676
"1397087"	244.1185	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H-H2O"	-17.0027
"288267"	523.249676	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+H"	1.007276
"677770"	784.370876	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+H"	1.007276
"1365426"	262.128476	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H"	1.007276
"140745"	262.128476	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+2H"	2.014552
"581039"	392.689076	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+2H"	2.014552
"1050322"	131.567876	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2H"	2.014552
"217129"	175.088076	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+3H"	3.021828
"658634"	262.128476	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+3H"	3.021828
"1177125"	88.047676	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+3H"	3.021828
"439305"	540.276223	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+NH4"	18.033823
"797990"	801.397423	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+NH4"	18.033823
"1687759"	279.155023	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+NH4"	18.033823
"345359"	270.6417495	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+H+NH4"	19.041099
"738305"	401.2023495	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+H+NH4"	19.041099
"1491880"	140.0811495	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H+NH4"	19.041099
"408294"	545.231618	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+Na"	22.989218
"769903"	806.352818	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+Na"	22.989218
"1618417"	284.110418	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Na"	22.989218
"329929"	273.119447	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+H+Na"	23.996494
"715791"	403.680047	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+H+Na"	23.996494
"1468522"	142.558847	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H+Na"	23.996494
"1055208"	95.37499	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2H+Na"	25.00377
"1257979"	294.154686	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+CH3OH+H"	33.033486
"382023"	561.205558	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+K"	38.963158
"743019"	822.326758	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+K"	38.963158
"1541790"	300.084358	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+K"	38.963158
"299695"	281.106417	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+H+K"	39.970434
"691872"	411.667017	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+H+K"	39.970434
"1445849"	150.545817	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H+K"	39.970434
"236485"	564.276226	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+ACN+H"	42.033826
"1210238"	303.155026	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+ACN+H"	42.033826
"1194412"	152.081151	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+ACN+2H"	43.041102
"188776"	567.21356	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+2Na-H"	44.97116
"629763"	828.33476	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+2Na-H"	44.97116
"1132052"	306.09236	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2Na-H"	44.97116
"176927"	284.110418	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+2Na"	45.978436
"617586"	414.671018	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+2Na"	45.978436
"1119997"	153.549818	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2Na"	45.978436
"1406074"	102.702304	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H+2Na"	46.985712
"1433087"	308.133946	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H+HCOOH"	47.012746
"234086"	289.14344	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+3H2O+2H"	56.04448
"1522512"	322.18599	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+IsoProp+H"	61.06479
"421105"	292.097388	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+Na+K"	61.952376
"775904"	422.657988	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+Na+K"	61.952376
"1672966"	161.536788	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Na+K"	61.952376
"260577"	586.258168	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+ACN+Na"	64.015768
"1234380"	325.136968	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+ACN+Na"	64.015768
"1723266"	325.160493	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+NH4+HCOOH"	64.039293
"1186434"	110.029618	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+3Na"	68.967654
"1656690"	330.115888	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Na+HCOOH"	68.994688
"163551"	599.16144	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+2K-H"	76.91904
"602018"	860.28264	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+2K-H"	76.91904
"1089445"	338.04024	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2K-H"	76.91904
"150635"	300.084358	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"2M+2K"	77.926316
"585823"	430.644958	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"3M+2K"	77.926316
"1079081"	169.523758	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2K"	77.926316
"1102451"	340.054792	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2K+H"	78.933592
"1338836"	340.142407	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+DMSO+H"	79.021207
"1009554"	344.181576	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2ACN+H"	83.060376
"1525501"	345.175208	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+IsoProp+Na+H"	84.054008
"992315"	172.594426	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+2ACN+2H"	84.067652
"1590828"	346.089828	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+K+HCOOH"	84.968628
"1418675"	376.121338	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+H+CF3COOH"	115.000138
"1160993"	193.107701	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+3ACN+2H"	125.094202
"1708358"	393.147885	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+NH4+CF3COOH"	132.026685
"1645101"	398.10328	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+Na+CF3COOH"	136.98208
"1576378"	414.07722	"C10607"	"Mycosporine"	"C11H19NO6"	"261.1212"	"M+K+CF3COOH"	152.95602
"815131"	309.2416	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M"	0
"983562"	290.22321	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-H2O-H"	-19.01839
"72898"	205.153790666667	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M-3H"	-3.021828
"512460"	308.234324	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M-3H"	-3.021828
"880905"	102.073257333333	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-3H"	-3.021828
"1546"	308.234324	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M-2H"	-2.014552
"444020"	462.855124	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M-2H"	-2.014552
"820729"	153.613524	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-2H"	-2.014552
"85096"	617.475924	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M-H"	-1.007276
"530122"	926.717524	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M-H"	-1.007276
"898084"	308.234324	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-H"	-1.007276
"50271"	634.502471	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M-2H+NH4"	16.019271
"488249"	943.744071	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M-2H+NH4"	16.019271
"864315"	325.260871	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-2H+NH4"	16.019271
"34438"	639.457866	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M-2H+Na"	20.974666
"471417"	948.699466	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M-2H+Na"	20.974666
"848540"	330.216266	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-2H+Na"	20.974666
"1618609"	330.216266	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Na-2H"	20.974666
"94380"	326.222663	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M-H+Cl"	33.962126
"534670"	480.843463	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M-H+Cl"	33.962126
"930945"	171.601863	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-H+Cl"	33.962126
"272783"	653.452602	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+Cl"	34.969402
"662288"	962.694202	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+Cl"	34.969402
"1281983"	344.211002	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Cl"	34.969402
"17611"	655.431806	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M-2H+K"	36.948606
"458266"	964.673406	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M-2H+K"	36.948606
"841900"	346.190206	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-2H+K"	36.948606
"1559922"	346.190206	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+K-2H"	36.948606
"947808"	354.239794	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-H+HCOOH"	44.998194
"363835"	663.481401	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+HCOOH-H"	44.998201
"349904"	677.497051	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+Hac-H"	59.013851
"1496554"	368.255451	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Hac-H"	59.013851
"959720"	376.221751	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-H+NaCOOH"	66.980151
"112270"	344.211002	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+2Cl"	69.938804
"550373"	498.831802	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+2Cl"	69.938804
"1025004"	189.590202	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2Cl"	69.938804
"1243852"	388.160485	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Br"	78.918885
"1308857"	390.216472	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Cl+HCOOH"	80.974872
"1328540"	412.198429	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Cl+NaCOOH"	102.956829
"920693"	422.227186	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M-H+CF3COOH"	112.985586
"1296311"	458.203864	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Cl+CF3COOH"	148.962264
"1374471"	274.228924	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H-2H2O"	-35.012676
"1396346"	292.2389	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H-H2O"	-17.0027
"288377"	619.490476	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+H"	1.007276
"678609"	928.732076	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+H"	1.007276
"1365900"	310.248876	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H"	1.007276
"140491"	310.248876	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+2H"	2.014552
"579933"	464.869676	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+2H"	2.014552
"1050431"	155.628076	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2H"	2.014552
"218578"	207.168342666667	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+3H"	3.021828
"657652"	310.248876	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+3H"	3.021828
"1177115"	104.087809333333	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+3H"	3.021828
"439664"	636.517023	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+NH4"	18.033823
"798100"	945.758623	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+NH4"	18.033823
"1695159"	327.275423	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+NH4"	18.033823
"344782"	318.7621495	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+H+NH4"	19.041099
"737686"	473.3829495	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+H+NH4"	19.041099
"1491993"	164.1413495	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H+NH4"	19.041099
"408242"	641.472418	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+Na"	22.989218
"768750"	950.714018	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+Na"	22.989218
"1617699"	332.230818	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Na"	22.989218
"328829"	321.239847	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+H+Na"	23.996494
"716994"	475.860647	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+H+Na"	23.996494
"1466446"	166.619047	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H+Na"	23.996494
"1058600"	111.415123333333	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2H+Na"	25.00377
"1260642"	342.275086	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+CH3OH+H"	33.033486
"378853"	657.446358	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+K"	38.963158
"742034"	966.687958	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+K"	38.963158
"1540078"	348.204758	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+K"	38.963158
"300169"	329.226817	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+H+K"	39.970434
"695871"	483.847617	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+H+K"	39.970434
"1449692"	174.606017	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H+K"	39.970434
"236595"	660.517026	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+ACN+H"	42.033826
"1209969"	351.275426	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+ACN+H"	42.033826
"1195986"	176.141351	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+ACN+2H"	43.041102
"189460"	663.45436	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+2Na-H"	44.97116
"629264"	972.69596	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+2Na-H"	44.97116
"1134112"	354.21276	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2Na-H"	44.97116
"174119"	332.230818	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+2Na"	45.978436
"616968"	486.851618	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+2Na"	45.978436
"1127035"	177.610018	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2Na"	45.978436
"1409465"	118.742437333333	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H+2Na"	46.985712
"1436113"	356.254346	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H+HCOOH"	47.012746
"230185"	337.26384	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+3H2O+2H"	56.04448
"1521529"	370.30639	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+IsoProp+H"	61.06479
"421216"	340.217788	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+Na+K"	61.952376
"777837"	494.838588	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+Na+K"	61.952376
"1675262"	185.596988	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Na+K"	61.952376
"257771"	682.498968	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+ACN+Na"	64.015768
"1228656"	373.257368	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+ACN+Na"	64.015768
"1722283"	373.280893	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+NH4+HCOOH"	64.039293
"1186544"	126.069751333333	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+3Na"	68.967654
"1656800"	378.236288	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Na+HCOOH"	68.994688
"161838"	695.40224	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+2K-H"	76.91904
"602128"	1004.64384	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+2K-H"	76.91904
"1092835"	386.16064	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2K-H"	76.91904
"150745"	348.204758	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"2M+2K"	77.926316
"591400"	502.825558	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"3M+2K"	77.926316
"1082959"	193.583958	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2K"	77.926316
"1103654"	388.175192	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2K+H"	78.933592
"1342227"	388.262807	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+DMSO+H"	79.021207
"1011850"	392.301976	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2ACN+H"	83.060376
"1528882"	393.295608	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+IsoProp+Na+H"	84.054008
"992049"	196.654626	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+2ACN+2H"	84.067652
"1590938"	394.210228	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+K+HCOOH"	84.968628
"1416598"	424.241738	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+H+CF3COOH"	115.000138
"1156729"	217.167901	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+3ACN+2H"	125.094202
"1708468"	441.268285	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+NH4+CF3COOH"	132.026685
"1647399"	446.22368	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+Na+CF3COOH"	136.98208
"1583049"	462.19762	"C10608"	"Palustrine"	"C17H31N3O2"	"309.2416"	"M+K+CF3COOH"	152.95602
"815605"	383.1369	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M"	0
"986952"	364.11851	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-H2O-H"	-19.01839
"71915"	254.417324	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M-3H"	-3.021828
"511477"	382.129624	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M-3H"	-3.021828
"880325"	126.705024	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-3H"	-3.021828
"1292"	382.129624	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M-2H"	-2.014552
"444130"	573.698074	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M-2H"	-2.014552
"826306"	190.561174	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-2H"	-2.014552
"86300"	765.266524	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M-H"	-1.007276
"525859"	1148.403424	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M-H"	-1.007276
"903660"	382.129624	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-H"	-1.007276
"50381"	782.293071	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M-2H+NH4"	16.019271
"489210"	1165.429971	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M-2H+NH4"	16.019271
"865920"	399.156171	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-2H+NH4"	16.019271
"38922"	787.248466	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M-2H+Na"	20.974666
"475203"	1170.385366	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M-2H+Na"	20.974666
"851910"	404.111566	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-2H+Na"	20.974666
"1618537"	404.111566	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Na-2H"	20.974666
"95057"	400.117963	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M-H+Cl"	33.962126
"534289"	591.686413	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M-H+Cl"	33.962126
"928137"	208.549513	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-H+Cl"	33.962126
"271800"	801.243202	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+Cl"	34.969402
"663490"	1184.380102	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+Cl"	34.969402
"1282093"	418.106302	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Cl"	34.969402
"21368"	803.222406	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M-2H+K"	36.948606
"462021"	1186.359306	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M-2H+K"	36.948606
"838730"	420.085506	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-2H+K"	36.948606
"1557478"	420.085506	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+K-2H"	36.948606
"944634"	428.135094	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-H+HCOOH"	44.998194
"364307"	811.272001	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+HCOOH-H"	44.998201
"348191"	825.287651	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+Hac-H"	59.013851
"1496664"	442.150751	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Hac-H"	59.013851
"959829"	450.117051	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-H+NaCOOH"	66.980151
"113474"	418.106302	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+2Cl"	69.938804
"553399"	609.674752	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+2Cl"	69.938804
"1025479"	226.537852	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2Cl"	69.938804
"1247972"	462.055785	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Br"	78.918885
"1308967"	464.111772	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Cl+HCOOH"	80.974872
"1331929"	486.093729	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Cl+NaCOOH"	102.956829
"917520"	496.122486	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M-H+CF3COOH"	112.985586
"1297514"	532.099164	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Cl+CF3COOH"	148.962264
"1376768"	348.124224	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H-2H2O"	-35.012676
"1384791"	366.1342	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H-H2O"	-17.0027
"283056"	767.281076	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+H"	1.007276
"677260"	1150.417976	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+H"	1.007276
"1361636"	384.144176	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H"	1.007276
"136712"	384.144176	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+2H"	2.014552
"580285"	575.712626	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+2H"	2.014552
"1051272"	192.575726	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2H"	2.014552
"219581"	256.431876	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+3H"	3.021828
"657882"	384.144176	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+3H"	3.021828
"1177349"	128.719576	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+3H"	3.021828
"439369"	784.307623	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+NH4"	18.033823
"798210"	1167.444523	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+NH4"	18.033823
"1694905"	401.170723	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+NH4"	18.033823
"344642"	392.6574495	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+H+NH4"	19.041099
"737804"	584.2258995	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+H+NH4"	19.041099
"1492226"	201.0889995	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H+NH4"	19.041099
"407746"	789.263018	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+Na"	22.989218
"769555"	1172.399918	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+Na"	22.989218
"1617203"	406.126118	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Na"	22.989218
"328211"	395.135147	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+H+Na"	23.996494
"720386"	586.703597	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+H+Na"	23.996494
"1467649"	203.566697	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H+Na"	23.996494
"1059804"	136.04689	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2H+Na"	25.00377
"1260388"	416.170386	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+CH3OH+H"	33.033486
"378963"	805.236958	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+K"	38.963158
"744330"	1188.373858	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+K"	38.963158
"1540914"	422.100058	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+K"	38.963158
"305746"	403.122117	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+H+K"	39.970434
"698167"	594.690567	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+H+K"	39.970434
"1449802"	211.553667	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H+K"	39.970434
"235710"	808.307626	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+ACN+H"	42.033826
"1210178"	425.170726	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+ACN+H"	42.033826
"1196096"	213.089001	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+ACN+2H"	43.041102
"189328"	811.24496	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+2Na-H"	44.97116
"629255"	1194.38186	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+2Na-H"	44.97116
"1134222"	428.10806	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2Na-H"	44.97116
"174108"	406.126118	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+2Na"	45.978436
"617078"	597.694568	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+2Na"	45.978436
"1120584"	214.557668	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2Na"	45.978436
"1404107"	143.374204	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H+2Na"	46.985712
"1434398"	430.149646	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H+HCOOH"	47.012746
"230295"	411.15914	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+3H2O+2H"	56.04448
"1517265"	444.20169	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+IsoProp+H"	61.06479
"416222"	414.113088	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+Na+K"	61.952376
"777582"	605.681538	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+Na+K"	61.952376
"1668809"	222.544638	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Na+K"	61.952376
"256058"	830.289568	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+ACN+Na"	64.015768
"1227308"	447.152668	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+ACN+Na"	64.015768
"1713518"	447.176193	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+NH4+HCOOH"	64.039293
"1184830"	150.701518	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+3Na"	68.967654
"1656910"	452.131588	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Na+HCOOH"	68.994688
"158303"	843.19284	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+2K-H"	76.91904
"601872"	1226.32974	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+2K-H"	76.91904
"1087477"	460.05594	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2K-H"	76.91904
"147575"	422.100058	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"2M+2K"	77.926316
"585315"	613.668508	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"3M+2K"	77.926316
"1074928"	230.531608	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2K"	77.926316
"1101211"	462.070492	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2K+H"	78.933592
"1339056"	462.158107	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+DMSO+H"	79.021207
"1007586"	466.197276	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2ACN+H"	83.060376
"1528991"	467.190908	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+IsoProp+Na+H"	84.054008
"990455"	233.602276	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+2ACN+2H"	84.067652
"1587350"	468.105528	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+K+HCOOH"	84.968628
"1418895"	498.137038	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+H+CF3COOH"	115.000138
"1156839"	254.115551	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+3ACN+2H"	125.094202
"1708579"	515.163585	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+NH4+CF3COOH"	132.026685
"1648238"	520.11898	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+Na+CF3COOH"	136.98208
"1583159"	536.09292	"C10609"	"Phyllospadine"	"C21H21NO6"	"383.1369"	"M+K+CF3COOH"	152.95602
"817003"	286.1317	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M"	0
"989128"	267.11331	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-H2O-H"	-19.01839
"77494"	189.747190666667	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M-3H"	-3.021828
"515960"	285.124424	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M-3H"	-3.021828
"886110"	94.3699573333333	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-3H"	-3.021828
"6870"	285.124424	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M-2H"	-2.014552
"445334"	428.190274	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M-2H"	-2.014552
"824229"	142.058574	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-2H"	-2.014552
"81669"	571.256124	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M-H"	-1.007276
"525970"	857.387824	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M-H"	-1.007276
"901584"	285.124424	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-H"	-1.007276
"52679"	588.282671	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M-2H+NH4"	16.019271
"492237"	874.414371	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M-2H+NH4"	16.019271
"872226"	302.150971	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-2H+NH4"	16.019271
"34660"	593.238066	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M-2H+Na"	20.974666
"476408"	879.369766	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M-2H+Na"	20.974666
"852021"	307.106366	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-2H+Na"	20.974666
"1620460"	307.106366	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Na-2H"	20.974666
"94801"	303.112763	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M-H+Cl"	33.962126
"534963"	446.178613	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M-H+Cl"	33.962126
"933352"	160.046913	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-H+Cl"	33.962126
"274097"	607.232802	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+Cl"	34.969402
"668705"	893.364502	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+Cl"	34.969402
"1284391"	321.101102	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Cl"	34.969402
"28039"	609.212006	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M-2H+K"	36.948606
"464319"	895.343706	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M-2H+K"	36.948606
"845401"	323.080306	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-2H+K"	36.948606
"1562328"	323.080306	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+K-2H"	36.948606
"946932"	331.129894	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-H+HCOOH"	44.998194
"366239"	617.261601	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+HCOOH-H"	44.998201
"351216"	631.277251	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+Hac-H"	59.013851
"1497868"	345.145551	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Hac-H"	59.013851
"959944"	353.111851	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-H+NaCOOH"	66.980151
"113947"	321.101102	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+2Cl"	69.938804
"554604"	464.166952	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+2Cl"	69.938804
"1025952"	178.035252	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2Cl"	69.938804
"1247353"	365.050585	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Br"	78.918885
"1310171"	367.106572	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Cl+HCOOH"	80.974872
"1331675"	389.088529	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Cl+NaCOOH"	102.956829
"919817"	399.117286	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M-H+CF3COOH"	112.985586
"1301630"	435.093964	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Cl+CF3COOH"	148.962264
"1377971"	251.119024	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H-2H2O"	-35.012676
"1387818"	269.129	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H-H2O"	-17.0027
"288597"	573.270676	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+H"	1.007276
"676641"	859.402376	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+H"	1.007276
"1363932"	287.138976	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H"	1.007276
"140103"	287.138976	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+2H"	2.014552
"580892"	430.204826	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+2H"	2.014552
"1052238"	144.073126	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2H"	2.014552
"219656"	191.761742666667	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+3H"	3.021828
"659824"	287.138976	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+3H"	3.021828
"1178314"	96.3845093333334	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+3H"	3.021828
"439521"	590.297223	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+NH4"	18.033823
"799413"	876.428923	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+NH4"	18.033823
"1693557"	304.165523	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+NH4"	18.033823
"344387"	295.6522495	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+H+NH4"	19.041099
"737862"	438.7180995	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+H+NH4"	19.041099
"1492049"	152.5863995	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H+NH4"	19.041099
"408219"	595.252618	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+Na"	22.989218
"767755"	881.384318	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+Na"	22.989218
"1613666"	309.120918	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Na"	22.989218
"322611"	298.129947	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+H+Na"	23.996494
"715031"	441.195797	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+H+Na"	23.996494
"1465936"	155.064097	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H+Na"	23.996494
"1065384"	103.711823333333	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2H+Na"	25.00377
"1268154"	319.165186	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+CH3OH+H"	33.033486
"385635"	611.226558	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+K"	38.963158
"746629"	897.358258	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+K"	38.963158
"1547588"	325.094858	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+K"	38.963158
"303673"	306.116917	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+H+K"	39.970434
"699373"	449.182767	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+H+K"	39.970434
"1449914"	163.051067	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H+K"	39.970434
"237784"	614.297226	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+ACN+H"	42.033826
"1210214"	328.165526	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+ACN+H"	42.033826
"1197302"	164.586401	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+ACN+2H"	43.041102
"191265"	617.23456	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+2Na-H"	44.97116
"632283"	903.36626	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+2Na-H"	44.97116
"1136157"	331.10286	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2Na-H"	44.97116
"177625"	309.120918	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+2Na"	45.978436
"620468"	452.186768	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+2Na"	45.978436
"1123975"	166.055068	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2Na"	45.978436
"1406405"	111.039137333333	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H+2Na"	46.985712
"1433415"	333.144446	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H+HCOOH"	47.012746
"227125"	314.15394	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+3H2O+2H"	56.04448
"1520655"	347.19649	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+IsoProp+H"	61.06479
"420342"	317.107888	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+Na+K"	61.952376
"779151"	460.173738	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+Na+K"	61.952376
"1673294"	174.042038	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Na+K"	61.952376
"260178"	636.279168	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+ACN+Na"	64.015768
"1226689"	350.147468	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+ACN+Na"	64.015768
"1713429"	350.170993	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+NH4+HCOOH"	64.039293
"1180565"	118.366451333333	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+3Na"	68.967654
"1659936"	355.126388	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Na+HCOOH"	68.994688
"158413"	649.18244	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+2K-H"	76.91904
"601983"	935.31414	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+2K-H"	76.91904
"1089775"	363.05074	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2K-H"	76.91904
"147686"	325.094858	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"2M+2K"	77.926316
"587245"	468.160708	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"3M+2K"	77.926316
"1076132"	182.029008	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2K"	77.926316
"1106061"	365.065292	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2K+H"	78.933592
"1339167"	365.152907	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+DMSO+H"	79.021207
"1007696"	369.192076	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2ACN+H"	83.060376
"1530195"	370.185708	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+IsoProp+Na+H"	84.054008
"989997"	185.099676	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+2ACN+2H"	84.067652
"1587868"	371.100328	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+K+HCOOH"	84.968628
"1419005"	401.131838	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+H+CF3COOH"	115.000138
"1160229"	205.612951	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+3ACN+2H"	125.094202
"1711604"	418.158385	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+NH4+CF3COOH"	132.026685
"1648348"	423.11378	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+Na+CF3COOH"	136.98208
"1583269"	439.08772	"C10610"	"Pilosine"	"C16H18N2O3"	"286.1317"	"M+K+CF3COOH"	152.95602
"803796"	382.3672	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M"	0
"986079"	363.34881	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-H2O-H"	-19.01839
"71044"	253.904190666667	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M-3H"	-3.021828
"507325"	381.359924	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M-3H"	-3.021828
"882208"	126.448457333333	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-3H"	-3.021828
"1875"	381.359924	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M-2H"	-2.014552
"440337"	572.543524	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M-2H"	-2.014552
"817773"	190.176324	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-2H"	-2.014552
"79100"	763.727124	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M-H"	-1.007276
"519274"	1146.094324	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M-H"	-1.007276
"898534"	381.359924	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-H"	-1.007276
"49141"	780.753671	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M-2H+NH4"	16.019271
"488094"	1163.120871	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M-2H+NH4"	16.019271
"865897"	398.386471	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-2H+NH4"	16.019271
"31850"	785.709066	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M-2H+Na"	20.974666
"472010"	1168.076266	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M-2H+Na"	20.974666
"848884"	403.341866	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-2H+Na"	20.974666
"1619227"	403.341866	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Na-2H"	20.974666
"94906"	399.348263	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M-H+Cl"	33.962126
"535324"	590.531863	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M-H+Cl"	33.962126
"933463"	208.164663	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-H+Cl"	33.962126
"272021"	799.703802	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+Cl"	34.969402
"675141"	1182.071002	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+Cl"	34.969402
"1287298"	417.336602	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Cl"	34.969402
"23776"	801.683006	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M-2H+K"	36.948606
"467345"	1184.050206	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M-2H+K"	36.948606
"845879"	419.315806	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-2H+K"	36.948606
"1569001"	419.315806	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+K-2H"	36.948606
"949231"	427.365394	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-H+HCOOH"	44.998194
"367447"	809.732601	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+HCOOH-H"	44.998201
"350965"	823.748251	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+Hac-H"	59.013851
"1499068"	441.381051	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Hac-H"	59.013851
"961143"	449.347351	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-H+NaCOOH"	66.980151
"113696"	417.336602	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+2Cl"	69.938804
"558357"	608.520202	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+2Cl"	69.938804
"1025334"	226.153002	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2Cl"	69.938804
"1243214"	461.286085	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Br"	78.918885
"1307000"	463.342072	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Cl+HCOOH"	80.974872
"1325589"	485.324029	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Cl+NaCOOH"	102.956829
"917741"	495.352786	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M-H+CF3COOH"	112.985586
"1298827"	531.329464	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Cl+CF3COOH"	148.962264
"1373708"	347.354524	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H-2H2O"	-35.012676
"1394489"	365.3645	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H-H2O"	-17.0027
"285427"	765.741676	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+H"	1.007276
"676756"	1148.108876	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+H"	1.007276
"1362949"	383.374476	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H"	1.007276
"139119"	383.374476	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+2H"	2.014552
"581376"	574.558076	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+2H"	2.014552
"1051979"	192.190876	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2H"	2.014552
"219760"	255.918742666667	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+3H"	3.021828
"659686"	383.374476	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+3H"	3.021828
"1178387"	128.463009333333	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+3H"	3.021828
"439587"	782.768223	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+NH4"	18.033823
"800620"	1165.135423	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+NH4"	18.033823
"1695858"	400.401023	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+NH4"	18.033823
"343044"	391.8877495	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+H+NH4"	19.041099
"735464"	583.0713495	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+H+NH4"	19.041099
"1488191"	200.7041495	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H+NH4"	19.041099
"403591"	787.723618	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+Na"	22.989218
"764583"	1170.090818	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+Na"	22.989218
"1612682"	405.356418	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Na"	22.989218
"323813"	394.365447	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+H+Na"	23.996494
"714050"	585.549047	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+H+Na"	23.996494
"1466046"	203.181847	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H+Na"	23.996494
"1065495"	135.790323333333	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2H+Na"	25.00377
"1267170"	415.400686	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+CH3OH+H"	33.033486
"383558"	803.697558	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+K"	38.963158
"740541"	1186.064758	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+K"	38.963158
"1545511"	421.330358	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+K"	38.963158
"303781"	402.352417	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+H+K"	39.970434
"695113"	593.536017	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+H+K"	39.970434
"1452210"	211.168817	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H+K"	39.970434
"236677"	806.768226	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+ACN+H"	42.033826
"1212433"	424.401026	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+ACN+H"	42.033826
"1197047"	212.704151	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+ACN+2H"	43.041102
"192107"	809.70556	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+2Na-H"	44.97116
"632761"	1192.07276	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+2Na-H"	44.97116
"1135176"	427.33836	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2Na-H"	44.97116
"177738"	405.356418	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+2Na"	45.978436
"623860"	596.540018	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+2Na"	45.978436
"1122993"	214.172818	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2Na"	45.978436
"1404329"	143.117637333333	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H+2Na"	46.985712
"1439726"	429.379946	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H+HCOOH"	47.012746
"228330"	410.38944	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+3H2O+2H"	56.04448
"1516395"	443.43199	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+IsoProp+H"	61.06479
"418267"	413.343388	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+Na+K"	61.952376
"781450"	604.526988	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+Na+K"	61.952376
"1673407"	222.159788	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Na+K"	61.952376
"258466"	828.750168	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+ACN+Na"	64.015768
"1233726"	446.382968	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+ACN+Na"	64.015768
"1716051"	446.406493	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+NH4+HCOOH"	64.039293
"1187238"	150.444951333333	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+3Na"	68.967654
"1660777"	451.361888	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Na+HCOOH"	68.994688
"164720"	841.65344	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+2K-H"	76.91904
"599178"	1224.02064	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+2K-H"	76.91904
"1087336"	459.28624	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2K-H"	76.91904
"142694"	421.330358	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"2M+2K"	77.926316
"590640"	612.513958	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"3M+2K"	77.926316
"1070775"	230.146758	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2K"	77.926316
"1102893"	461.300792	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2K+H"	78.933592
"1339277"	461.388407	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+DMSO+H"	79.021207
"1006226"	465.427576	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2ACN+H"	83.060376
"1524468"	466.421208	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+IsoProp+Na+H"	84.054008
"991656"	233.217426	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+2ACN+2H"	84.067652
"1588224"	467.335828	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+K+HCOOH"	84.968628
"1418016"	497.367338	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+H+CF3COOH"	115.000138
"1151585"	253.730701	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+3ACN+2H"	125.094202
"1704419"	514.393885	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+NH4+CF3COOH"	132.026685
"1645538"	519.34928	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+Na+CF3COOH"	136.98208
"1577911"	535.32322	"C10611"	"Pithecolobine"	"C22H46N4O"	"382.3672"	"M+K+CF3COOH"	152.95602
"807186"	403.226	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M"	0
"986189"	384.20761	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-H2O-H"	-19.01839
"73342"	267.810057333333	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M-3H"	-3.021828
"511809"	402.218724	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M-3H"	-3.021828
"881957"	133.401390666667	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-3H"	-3.021828
"1499"	402.218724	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M-2H"	-2.014552
"440813"	603.831724	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M-2H"	-2.014552
"819347"	200.605724	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-2H"	-2.014552
"80675"	805.444724	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M-H"	-1.007276
"519749"	1208.670724	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M-H"	-1.007276
"898279"	402.218724	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-H"	-1.007276
"49008"	822.471271	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M-2H+NH4"	16.019271
"488570"	1225.697271	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M-2H+NH4"	16.019271
"865397"	419.245271	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-2H+NH4"	16.019271
"31481"	827.426666	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M-2H+Na"	20.974666
"471920"	1230.652666	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M-2H+Na"	20.974666
"849198"	424.200666	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-2H+Na"	20.974666
"1619214"	424.200666	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Na-2H"	20.974666
"94573"	420.207063	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M-H+Cl"	33.962126
"535555"	621.820063	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M-H+Cl"	33.962126
"933573"	218.594063	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-H+Cl"	33.962126
"268851"	841.421402	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+Cl"	34.969402
"674154"	1244.647402	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+Cl"	34.969402
"1284612"	438.195402	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Cl"	34.969402
"27166"	843.400606	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M-2H+K"	36.948606
"466726"	1246.626606	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M-2H+K"	36.948606
"846353"	440.174606	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-2H+K"	36.948606
"1569110"	440.174606	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+K-2H"	36.948606
"949341"	448.224194	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-H+HCOOH"	44.998194
"368649"	851.450201	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+HCOOH-H"	44.998201
"351439"	865.465851	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+Hac-H"	59.013851
"1499178"	462.239851	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Hac-H"	59.013851
"960158"	470.206151	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-H+NaCOOH"	66.980151
"111738"	438.195402	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+2Cl"	69.938804
"558467"	639.808402	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+2Cl"	69.938804
"1026174"	236.582402	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2Cl"	69.938804
"1245386"	482.144885	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Br"	78.918885
"1306745"	484.200872	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Cl+HCOOH"	80.974872
"1323147"	506.182829	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Cl+NaCOOH"	102.956829
"915662"	516.211586	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M-H+CF3COOH"	112.985586
"1301853"	552.188264	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Cl+CF3COOH"	148.962264
"1374912"	368.213324	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H-2H2O"	-35.012676
"1394599"	386.2233	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H-H2O"	-17.0027
"285538"	807.459276	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+H"	1.007276
"677959"	1210.685276	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+H"	1.007276
"1363059"	404.233276	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H"	1.007276
"139229"	404.233276	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+2H"	2.014552
"581067"	605.846276	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+2H"	2.014552
"1050509"	202.620276	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2H"	2.014552
"218656"	269.824609333333	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+3H"	3.021828
"659432"	404.233276	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+3H"	3.021828
"1178048"	135.415942666667	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+3H"	3.021828
"439498"	824.485823	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+NH4"	18.033823
"800366"	1227.711823	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+NH4"	18.033823
"1695240"	421.259823	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+NH4"	18.033823
"344248"	412.7465495	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+H+NH4"	19.041099
"735574"	614.3595495	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+H+NH4"	19.041099
"1490487"	211.1335495	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H+NH4"	19.041099
"401515"	829.441218	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+Na"	22.989218
"765787"	1232.667218	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+Na"	22.989218
"1612792"	426.215218	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Na"	22.989218
"328294"	415.224247	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+H+Na"	23.996494
"714160"	616.837247	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+H+Na"	23.996494
"1465792"	213.611247	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H+Na"	23.996494
"1061227"	142.743256666667	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2H+Na"	25.00377
"1264000"	436.259486	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+CH3OH+H"	33.033486
"382578"	845.415158	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+K"	38.963158
"742476"	1248.641158	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+K"	38.963158
"1543435"	442.189158	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+K"	38.963158
"303891"	423.211217	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+H+K"	39.970434
"693035"	624.824217	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+H+K"	39.970434
"1450135"	221.598217	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H+K"	39.970434
"235846"	848.485826	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+ACN+H"	42.033826
"1212180"	445.259826	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+ACN+H"	42.033826
"1196428"	223.133551	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+ACN+2H"	43.041102
"190394"	851.42316	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+2Na-H"	44.97116
"629464"	1254.64916	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+2Na-H"	44.97116
"1136745"	448.19716	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2Na-H"	44.97116
"178941"	426.215218	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+2Na"	45.978436
"618136"	627.828218	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+2Na"	45.978436
"1122009"	224.602218	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2Na"	45.978436
"1405533"	150.070570666667	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H+2Na"	46.985712
"1434001"	450.238746	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H+HCOOH"	47.012746
"232816"	431.24824	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+3H2O+2H"	56.04448
"1516506"	464.29079	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+IsoProp+H"	61.06479
"417283"	434.202188	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+Na+K"	61.952376
"777185"	635.815188	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+Na+K"	61.952376
"1676797"	232.589188	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Na+K"	61.952376
"257848"	870.467768	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+ACN+Na"	64.015768
"1231284"	467.241768	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+ACN+Na"	64.015768
"1719077"	467.265293	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+NH4+HCOOH"	64.039293
"1186985"	157.397884666667	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+3Na"	68.967654
"1657972"	472.220688	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Na+HCOOH"	68.994688
"162279"	883.37104	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+2K-H"	76.91904
"604392"	1286.59704	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+2K-H"	76.91904
"1087446"	480.14504	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2K-H"	76.91904
"142804"	442.189158	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"2M+2K"	77.926316
"591842"	643.802158	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"3M+2K"	77.926316
"1070885"	240.576158	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2K"	77.926316
"1102031"	482.159592	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2K+H"	78.933592
"1337441"	482.247207	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+DMSO+H"	79.021207
"1006693"	486.286376	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2ACN+H"	83.060376
"1524576"	487.280008	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+IsoProp+Na+H"	84.054008
"991523"	243.646826	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+2ACN+2H"	84.067652
"1589183"	488.194628	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+K+HCOOH"	84.968628
"1418126"	518.226138	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+H+CF3COOH"	115.000138
"1150602"	264.160101	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+3ACN+2H"	125.094202
"1701249"	535.252685	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+NH4+CF3COOH"	132.026685
"1645648"	540.20808	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+Na+CF3COOH"	136.98208
"1578021"	556.18202	"C10612"	"Pleurostyline"	"C25H29N3O2"	"403.226"	"M+K+CF3COOH"	152.95602
"804016"	305.1627	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M"	0
"980831"	286.14431	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-H2O-H"	-19.01839
"72360"	202.434524	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M-3H"	-3.021828
"515200"	304.155424	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M-3H"	-3.021828
"884254"	100.713624	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-3H"	-3.021828
"2460"	304.155424	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M-2H"	-2.014552
"443478"	456.736774	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M-2H"	-2.014552
"819821"	151.574074	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-2H"	-2.014552
"81271"	609.318124	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M-H"	-1.007276
"519372"	914.480824	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M-H"	-1.007276
"895795"	304.155424	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-H"	-1.007276
"47534"	626.344671	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M-2H+NH4"	16.019271
"487169"	931.507371	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M-2H+NH4"	16.019271
"864247"	321.181971	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-2H+NH4"	16.019271
"31706"	631.300066	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M-2H+Na"	20.974666
"471540"	936.462766	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M-2H+Na"	20.974666
"848982"	326.137366	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-2H+Na"	20.974666
"1618720"	326.137366	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Na-2H"	20.974666
"94385"	322.143763	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M-H+Cl"	33.962126
"535424"	474.725113	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M-H+Cl"	33.962126
"933683"	169.562413	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-H+Cl"	33.962126
"270054"	645.294802	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+Cl"	34.969402
"674506"	950.457502	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+Cl"	34.969402
"1284722"	340.132102	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Cl"	34.969402
"25090"	647.274006	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M-2H+K"	36.948606
"463555"	952.436706	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M-2H+K"	36.948606
"846827"	342.111306	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-2H+K"	36.948606
"1569220"	342.111306	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+K-2H"	36.948606
"949451"	350.160894	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-H+HCOOH"	44.998194
"365480"	655.323601	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+HCOOH-H"	44.998201
"350456"	669.339251	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+Hac-H"	59.013851
"1499288"	364.176551	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Hac-H"	59.013851
"960023"	372.142851	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-H+NaCOOH"	66.980151
"111483"	340.132102	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+2Cl"	69.938804
"557484"	492.713452	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+2Cl"	69.938804
"1025191"	187.550752	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2Cl"	69.938804
"1245860"	384.081585	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Br"	78.918885
"1306127"	386.137572	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Cl+HCOOH"	80.974872
"1322529"	408.119529	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Cl+NaCOOH"	102.956829
"915044"	418.148286	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M-H+CF3COOH"	112.985586
"1302327"	454.124964	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Cl+CF3COOH"	148.962264
"1375022"	270.150024	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H-2H2O"	-35.012676
"1394709"	288.16	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H-H2O"	-17.0027
"285648"	611.332676	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+H"	1.007276
"677097"	916.495376	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+H"	1.007276
"1363169"	306.169976	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H"	1.007276
"138245"	306.169976	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+2H"	2.014552
"581285"	458.751326	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+2H"	2.014552
"1050619"	153.588626	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2H"	2.014552
"219903"	204.449076	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+3H"	3.021828
"658934"	306.169976	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+3H"	3.021828
"1178278"	102.728176	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+3H"	3.021828
"439481"	628.359223	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+NH4"	18.033823
"801207"	933.521923	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+NH4"	18.033823
"1695953"	323.196523	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+NH4"	18.033823
"344960"	314.6832495	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+H+NH4"	19.041099
"734591"	467.2645995	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+H+NH4"	19.041099
"1488411"	162.1018995	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H+NH4"	19.041099
"400531"	633.314618	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+Na"	22.989218
"763710"	938.477318	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+Na"	22.989218
"1613994"	328.151918	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Na"	22.989218
"327311"	317.160947	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+H+Na"	23.996494
"710988"	469.742297	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+H+Na"	23.996494
"1464808"	164.579597	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H+Na"	23.996494
"1061337"	110.05549	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2H+Na"	25.00377
"1265204"	338.196186	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+CH3OH+H"	33.033486
"381595"	649.288558	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+K"	38.963158
"744774"	954.451258	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+K"	38.963158
"1546826"	344.125858	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+K"	38.963158
"304001"	325.147917	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+H+K"	39.970434
"697518"	477.729267	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+H+K"	39.970434
"1448058"	172.566567	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H+K"	39.970434
"236659"	652.359226	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+ACN+H"	42.033826
"1211196"	347.196526	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+ACN+H"	42.033826
"1196538"	174.101901	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+ACN+2H"	43.041102
"190503"	655.29656	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+2Na-H"	44.97116
"630062"	960.45926	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+2Na-H"	44.97116
"1137583"	350.13386	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2Na-H"	44.97116
"178321"	328.151918	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+2Na"	45.978436
"618246"	480.733268	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+2Na"	45.978436
"1124306"	175.570568	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2Na"	45.978436
"1408923"	117.382804	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H+2Na"	46.985712
"1435569"	352.175446	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H+HCOOH"	47.012746
"230739"	333.18494	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+3H2O+2H"	56.04448
"1517709"	366.22749	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+IsoProp+H"	61.06479
"416300"	336.138888	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+Na+K"	61.952376
"777295"	488.720238	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+Na+K"	61.952376
"1674719"	183.557538	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Na+K"	61.952376
"260145"	674.341168	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+ACN+Na"	64.015768
"1232852"	369.178468	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+ACN+Na"	64.015768
"1715906"	369.201993	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+NH4+HCOOH"	64.039293
"1182354"	124.710118	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+3Na"	68.967654
"1660267"	374.157388	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Na+HCOOH"	68.994688
"166036"	687.24444	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+2K-H"	76.91904
"598543"	992.40714	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+2K-H"	76.91904
"1087192"	382.08174	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2K-H"	76.91904
"142550"	344.125858	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"2M+2K"	77.926316
"585391"	496.707208	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"3M+2K"	77.926316
"1070387"	191.544508	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2K"	77.926316
"1104206"	384.096292	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2K+H"	78.933592
"1336453"	384.183907	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+DMSO+H"	79.021207
"1006321"	388.223076	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2ACN+H"	83.060376
"1524687"	389.216708	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+IsoProp+Na+H"	84.054008
"991876"	194.615176	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+2ACN+2H"	84.067652
"1587712"	390.131328	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+K+HCOOH"	84.968628
"1418236"	420.162838	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+H+CF3COOH"	115.000138
"1150712"	215.128451	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+3ACN+2H"	125.094202
"1701359"	437.189385	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+NH4+CF3COOH"	132.026685
"1645758"	442.14478	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+Na+CF3COOH"	136.98208
"1578131"	458.11872	"C10613"	"Porritoxin"	"C17H23NO4"	"305.1627"	"M+K+CF3COOH"	152.95602
"807406"	217.1103	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M"	0
"982035"	198.09191	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-H2O-H"	-19.01839
"73562"	143.732924	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M-3H"	-3.021828
"514215"	216.103024	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M-3H"	-3.021828
"880514"	71.362824	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-3H"	-3.021828
"301"	216.103024	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M-2H"	-2.014552
"439982"	324.658174	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M-2H"	-2.014552
"819203"	107.547874	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-2H"	-2.014552
"78566"	433.213324	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M-H"	-1.007276
"518913"	650.323624	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M-H"	-1.007276
"895653"	216.103024	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-H"	-1.007276
"47318"	450.239871	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M-2H+NH4"	16.019271
"487323"	667.350171	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M-2H+NH4"	16.019271
"864242"	233.129571	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-2H+NH4"	16.019271
"31445"	455.195266	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M-2H+Na"	20.974666
"471469"	672.305566	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M-2H+Na"	20.974666
"848539"	238.084966	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-2H+Na"	20.974666
"1618527"	238.084966	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Na-2H"	20.974666
"94384"	234.091363	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M-H+Cl"	33.962126
"534246"	342.646513	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M-H+Cl"	33.962126
"928321"	125.536213	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-H+Cl"	33.962126
"270164"	469.190002	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+Cl"	34.969402
"662221"	686.300302	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+Cl"	34.969402
"1275354"	252.079702	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Cl"	34.969402
"17906"	471.169206	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M-2H+K"	36.948606
"457466"	688.279506	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M-2H+K"	36.948606
"840376"	254.058906	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-2H+K"	36.948606
"1559489"	254.058906	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+K-2H"	36.948606
"946281"	262.108494	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-H+HCOOH"	44.998194
"365590"	479.218801	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+HCOOH-H"	44.998201
"346189"	493.234451	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+Hac-H"	59.013851
"1493927"	276.124151	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Hac-H"	59.013851
"960009"	284.090451	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-H+NaCOOH"	66.980151
"111471"	252.079702	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+2Cl"	69.938804
"554314"	360.634852	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+2Cl"	69.938804
"1024204"	143.524552	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2Cl"	69.938804
"1243782"	296.029185	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Br"	78.918885
"1306601"	298.085172	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Cl+HCOOH"	80.974872
"1323732"	320.067129	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Cl+NaCOOH"	102.956829
"914059"	330.095886	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M-H+CF3COOH"	112.985586
"1302073"	366.072564	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Cl+CF3COOH"	148.962264
"1375132"	182.097624	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H-2H2O"	-35.012676
"1394819"	200.1076	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H-H2O"	-17.0027
"285758"	435.227876	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+H"	1.007276
"677086"	652.338176	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+H"	1.007276
"1365102"	218.117576	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H"	1.007276
"136168"	218.117576	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+2H"	2.014552
"580714"	326.672726	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+2H"	2.014552
"1049997"	109.562426	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2H"	2.014552
"216805"	145.747476	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+3H"	3.021828
"656366"	218.117576	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+3H"	3.021828
"1177288"	73.377376	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+3H"	3.021828
"436670"	452.254423	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+NH4"	18.033823
"800707"	669.364723	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+NH4"	18.033823
"1696427"	235.144123	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+NH4"	18.033823
"345436"	226.6308495	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+H+NH4"	19.041099
"736762"	335.1859995	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+H+NH4"	19.041099
"1485241"	118.0756995	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H+NH4"	19.041099
"400640"	457.209818	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+Na"	22.989218
"758354"	674.320118	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+Na"	22.989218
"1610824"	240.099518	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Na"	22.989218
"320860"	229.108547	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+H+Na"	23.996494
"709275"	337.663697	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+H+Na"	23.996494
"1463460"	120.553397	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H+Na"	23.996494
"1058167"	80.70469	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2H+Na"	25.00377
"1265315"	250.143786	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+CH3OH+H"	33.033486
"384983"	473.183758	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+K"	38.963158
"742697"	690.294058	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+K"	38.963158
"1545841"	256.073458	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+K"	38.963158
"304110"	237.095517	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+H+K"	39.970434
"695438"	345.650667	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+H+K"	39.970434
"1447071"	128.540367	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H+K"	39.970434
"235836"	476.254426	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+ACN+H"	42.033826
"1210205"	259.144126	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+ACN+H"	42.033826
"1194702"	130.075701	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+ACN+2H"	43.041102
"189520"	479.19176	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+2Na-H"	44.97116
"630540"	696.30206	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+2Na-H"	44.97116
"1134413"	262.08146	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2Na-H"	44.97116
"178431"	240.099518	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+2Na"	45.978436
"618356"	348.654668	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+2Na"	45.978436
"1124416"	131.544368	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2Na"	45.978436
"1409033"	88.032004	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H+2Na"	46.985712
"1436044"	264.123046	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H+HCOOH"	47.012746
"233036"	245.13254	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+3H2O+2H"	56.04448
"1517819"	278.17509	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+IsoProp+H"	61.06479
"415317"	248.086488	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+Na+K"	61.952376
"777406"	356.641638	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+Na+K"	61.952376
"1672643"	139.531338	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Na+K"	61.952376
"256608"	498.236368	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+ACN+Na"	64.015768
"1232961"	281.126068	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+ACN+Na"	64.015768
"1715286"	281.149593	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+NH4+HCOOH"	64.039293
"1182100"	95.359318	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+3Na"	68.967654
"1659284"	286.104988	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Na+HCOOH"	68.994688
"162866"	511.13964	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+2K-H"	76.91904
"597801"	728.24994	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+2K-H"	76.91904
"1084991"	294.02934	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2K-H"	76.91904
"142295"	256.073458	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"2M+2K"	77.926316
"585501"	364.628608	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"3M+2K"	77.926316
"1069403"	147.518308	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2K"	77.926316
"1101037"	296.043892	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2K+H"	78.933592
"1335955"	296.131507	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+DMSO+H"	79.021207
"1005819"	300.170676	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2ACN+H"	83.060376
"1524673"	301.164308	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+IsoProp+Na+H"	84.054008
"991622"	150.588976	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+2ACN+2H"	84.067652
"1587214"	302.078928	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+K+HCOOH"	84.968628
"1418346"	332.110438	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+H+CF3COOH"	115.000138
"1150822"	171.102251	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+3ACN+2H"	125.094202
"1701469"	349.136985	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+NH4+CF3COOH"	132.026685
"1645868"	354.09238	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+Na+CF3COOH"	136.98208
"1578241"	370.06632	"C10614"	"Securinine"	"C13H15NO2"	"217.1103"	"M+K+CF3COOH"	152.95602
"804236"	203.0946	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M"	0
"983238"	184.07621	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-H2O-H"	-19.01839
"73672"	134.389124	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M-3H"	-3.021828
"511045"	202.087324	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M-3H"	-3.021828
"884474"	66.690924	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-3H"	-3.021828
"2680"	202.087324	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M-2H"	-2.014552
"440415"	303.634624	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M-2H"	-2.014552
"819311"	100.540024	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-2H"	-2.014552
"78811"	405.181924	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M-H"	-1.007276
"518851"	608.276524	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M-H"	-1.007276
"896052"	202.087324	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-H"	-1.007276
"48121"	422.208471	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M-2H+NH4"	16.019271
"487478"	625.303071	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M-2H+NH4"	16.019271
"864468"	219.113871	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-2H+NH4"	16.019271
"31964"	427.163866	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M-2H+Na"	20.974666
"472443"	630.258466	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M-2H+Na"	20.974666
"849071"	224.069266	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-2H+Na"	20.974666
"1618892"	224.069266	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Na-2H"	20.974666
"94653"	220.075663	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M-H+Cl"	33.962126
"534376"	321.622963	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M-H+Cl"	33.962126
"927701"	118.528363	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-H+Cl"	33.962126
"271364"	441.158602	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+Cl"	34.969402
"661598"	644.253202	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+Cl"	34.969402
"1275460"	238.064002	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Cl"	34.969402
"20566"	443.137806	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M-2H+K"	36.948606
"459033"	646.232406	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M-2H+K"	36.948606
"835379"	240.043206	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-2H+K"	36.948606
"1558505"	240.043206	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+K-2H"	36.948606
"944927"	248.092794	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-H+HCOOH"	44.998194
"362089"	451.187401	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+HCOOH-H"	44.998201
"348485"	465.203051	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+Hac-H"	59.013851
"1494037"	262.108451	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Hac-H"	59.013851
"958902"	270.074751	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-H+NaCOOH"	66.980151
"111942"	238.064002	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+2Cl"	69.938804
"550159"	339.611302	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+2Cl"	69.938804
"1021516"	136.516702	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2Cl"	69.938804
"1241618"	282.013485	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Br"	78.918885
"1307803"	284.069472	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Cl+HCOOH"	80.974872
"1324570"	306.051429	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Cl+NaCOOH"	102.956829
"914167"	316.080186	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M-H+CF3COOH"	112.985586
"1302426"	352.056864	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Cl+CF3COOH"	148.962264
"1375242"	168.081924	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H-2H2O"	-35.012676
"1391649"	186.0919	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H-H2O"	-17.0027
"286961"	407.196476	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+H"	1.007276
"678653"	610.291076	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+H"	1.007276
"1357921"	204.101876	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H"	1.007276
"134091"	204.101876	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+2H"	2.014552
"576934"	305.649176	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+2H"	2.014552
"1050106"	102.554576	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2H"	2.014552
"215822"	136.403676	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+3H"	3.021828
"657205"	204.101876	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+3H"	3.021828
"1177277"	68.705476	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+3H"	3.021828
"439093"	424.223023	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+NH4"	18.033823
"801106"	627.317623	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+NH4"	18.033823
"1693012"	221.128423	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+NH4"	18.033823
"344696"	212.6151495	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+H+NH4"	19.041099
"734807"	314.1624495	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+H+NH4"	19.041099
"1486444"	111.0678495	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H+NH4"	19.041099
"401843"	429.178418	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+Na"	22.989218
"757370"	632.273018	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+Na"	22.989218
"1606561"	226.083818	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Na"	22.989218
"319877"	215.092847	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+H+Na"	23.996494
"711207"	316.640147	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+H+Na"	23.996494
"1463934"	113.545547	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H+Na"	23.996494
"1056453"	76.03279	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2H+Na"	25.00377
"1267611"	236.128086	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+CH3OH+H"	33.033486
"381812"	445.152358	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+K"	38.963158
"741712"	648.246958	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+K"	38.963158
"1541213"	242.057758	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+K"	38.963158
"300941"	223.079817	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+H+K"	39.970434
"691821"	324.627117	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+H+K"	39.970434
"1446327"	121.532517	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H+K"	39.970434
"235945"	448.223026	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+ACN+H"	42.033826
"1210191"	245.128426	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+ACN+H"	42.033826
"1194928"	123.067851	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+ACN+2H"	43.041102
"188938"	451.16036	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+2Na-H"	44.97116
"631379"	654.25496	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+2Na-H"	44.97116
"1132089"	248.06576	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2Na-H"	44.97116
"174531"	226.083818	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+2Na"	45.978436
"614091"	327.631118	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+2Na"	45.978436
"1123432"	124.536518	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2Na"	45.978436
"1404402"	83.360104	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H+2Na"	46.985712
"1434331"	250.107346	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H+HCOOH"	47.012746
"225490"	231.11684	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+3H2O+2H"	56.04448
"1510638"	264.15939	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+IsoProp+H"	61.06479
"411052"	234.070788	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+Na+K"	61.952376
"771680"	335.618088	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+Na+K"	61.952376
"1668741"	132.523488	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Na+K"	61.952376
"252344"	470.204968	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+ACN+Na"	64.015768
"1229791"	267.110368	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+ACN+Na"	64.015768
"1714056"	267.133893	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+NH4+HCOOH"	64.039293
"1182574"	90.687418	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+3Na"	68.967654
"1654291"	272.089288	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Na+HCOOH"	68.994688
"160060"	483.10824	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+2K-H"	76.91904
"598397"	686.20284	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+2K-H"	76.91904
"1085216"	280.01364	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2K-H"	76.91904
"141919"	242.057758	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"2M+2K"	77.926316
"585611"	343.605058	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"3M+2K"	77.926316
"1069634"	140.510458	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2K"	77.926316
"1100005"	282.028192	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2K+H"	78.933592
"1335943"	282.115807	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+DMSO+H"	79.021207
"1005782"	286.154976	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2ACN+H"	83.060376
"1524662"	287.148608	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+IsoProp+Na+H"	84.054008
"990266"	143.581126	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+2ACN+2H"	84.067652
"1587807"	288.063228	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+K+HCOOH"	84.968628
"1417363"	318.094738	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+H+CF3COOH"	115.000138
"1150932"	164.094401	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+3ACN+2H"	125.094202
"1697565"	335.121285	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+NH4+CF3COOH"	132.026685
"1642698"	340.07668	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+Na+CF3COOH"	136.98208
"1578351"	356.05062	"C10615"	"Shihunine"	"C12H13NO2"	"203.0946"	"M+K+CF3COOH"	152.95602
"804346"	340.1311	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M"	0
"985535"	321.11271	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"73782"	225.746790666667	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"514435"	339.123824	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"884584"	112.369757333333	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"2427"	339.123824	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"440648"	509.189374	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"821609"	169.058274	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"79775"	679.254924	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"518845"	1019.386024	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"896036"	339.123824	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"54431"	696.281471	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"492897"	1036.412571	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"871793"	356.150371	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"38599"	701.236866	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"477066"	1041.367966	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"849643"	361.105766	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1619171"	361.105766	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"95214"	357.112163	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"536118"	527.177713	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"931091"	187.046613	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"274758"	715.231602	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"662802"	1055.362702	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1277757"	375.100502	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"18489"	717.210806	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"459509"	1057.341906	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"837314"	377.079706	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1560803"	377.079706	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"944675"	385.129294	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"363982"	725.260401	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"347867"	739.276051	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1494509"	399.144951	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"961323"	407.111251	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"112421"	375.100502	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"553070"	545.166052	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1022969"	205.034952	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1242906"	419.049985	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1308278"	421.105972	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1323587"	443.087929	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"912457"	453.116686	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1303395"	489.093364	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1381791"	305.118424	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1388476"	323.1284	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"287071"	681.269476	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"679492"	1021.400576	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1359124"	341.138376	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"134201"	341.138376	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"579961"	511.203926	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1050216"	171.072826	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"216297"	227.761342666667	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"657318"	341.138376	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1176902"	114.384309333333	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"439445"	698.296023	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"801337"	1038.427123	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1695675"	358.164923	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"344683"	349.6516495	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"737105"	519.7171995	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1488741"	179.5860995	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"403047"	703.251418	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"761854"	1043.382518	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1613231"	363.120318	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"327641"	352.129347	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"713503"	522.194897	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1465137"	182.063797	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1058385"	121.711623333333	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1264441"	373.164586	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"381922"	719.225358	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"742916"	1059.356458	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1546061"	379.094258	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"304330"	360.116317	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"696750"	530.181867	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1449841"	190.050767	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"236130"	722.296026	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1211033"	382.164926	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1194909"	191.586101	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"190465"	725.23336	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"630758"	1065.36446	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1132319"	385.10226	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"175005"	363.120318	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"615295"	533.185868	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1122449"	193.054768	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1404148"	129.038937333333	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1434076"	387.143846	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"221711"	368.15334	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1512571"	401.19589	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"411163"	371.107288	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"771182"	541.172838	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1669580"	201.041738	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"257193"	744.277968	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1230993"	404.146868	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1714774"	404.170393	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1179767"	136.366251333333	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1651848"	409.125788	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"158342"	757.18124	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"598140"	1097.31234	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1088244"	417.05014	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"148342"	379.094258	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"584621"	549.159808	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1070351"	209.028708	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1102344"	419.064692	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1337390"	419.152307	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1007503"	423.191476	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1524892"	424.185108	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"990099"	212.099376	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1587116"	425.099728	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1417472"	455.131238	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1149218"	232.612651	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1698408"	472.157785	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1642808"	477.11318	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1578461"	493.08712	"C10616"	"()-Galbacin"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"806642"	454.141	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M"	0
"981271"	435.12261	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-H2O-H"	-19.01839
"73891"	301.753390666667	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M-3H"	-3.021828
"514545"	453.133724	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M-3H"	-3.021828
"885787"	150.373057333333	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-3H"	-3.021828
"4359"	453.133724	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M-2H"	-2.014552
"440758"	680.204224	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M-2H"	-2.014552
"820626"	226.063224	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-2H"	-2.014552
"79399"	907.274724	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M-H"	-1.007276
"519075"	1361.415724	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M-H"	-1.007276
"896761"	453.133724	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-H"	-1.007276
"54541"	924.301271	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M-2H+NH4"	16.019271
"491914"	1378.442271	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M-2H+NH4"	16.019271
"870809"	470.160271	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-2H+NH4"	16.019271
"35429"	929.256666	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M-2H+Na"	20.974666
"478270"	1383.397666	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M-2H+Na"	20.974666
"851698"	475.115666	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-2H+Na"	20.974666
"1619163"	475.115666	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Na-2H"	20.974666
"95572"	471.122063	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M-H+Cl"	33.962126
"539874"	698.192563	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M-H+Cl"	33.962126
"931201"	244.051563	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-H+Cl"	33.962126
"274868"	943.251402	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+Cl"	34.969402
"662547"	1397.392402	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+Cl"	34.969402
"1276047"	489.110402	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Cl"	34.969402
"19692"	945.230606	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M-2H+K"	36.948606
"457798"	1399.371606	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M-2H+K"	36.948606
"837424"	491.089606	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-2H+K"	36.948606
"1562006"	491.089606	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+K-2H"	36.948606
"944785"	499.139194	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-H+HCOOH"	44.998194
"363365"	953.280201	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+HCOOH-H"	44.998201
"347978"	967.295851	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+Hac-H"	59.013851
"1492933"	513.154851	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Hac-H"	59.013851
"959121"	521.121151	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-H+NaCOOH"	66.980151
"110340"	489.110402	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+2Cl"	69.938804
"550177"	716.180902	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+2Cl"	69.938804
"1022345"	262.039902	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2Cl"	69.938804
"1242293"	533.059885	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Br"	78.918885
"1304857"	535.115872	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Cl+HCOOH"	80.974872
"1321140"	557.097829	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Cl+NaCOOH"	102.956829
"911667"	567.126586	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M-H+CF3COOH"	112.985586
"1288622"	603.103264	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Cl+CF3COOH"	148.962264
"1376552"	419.128324	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H-2H2O"	-35.012676
"1388584"	437.1383	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H-H2O"	-17.0027
"287181"	909.289276	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+H"	1.007276
"678873"	1363.430276	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+H"	1.007276
"1359234"	455.148276	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H"	1.007276
"134311"	455.148276	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+2H"	2.014552
"580071"	682.218776	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+2H"	2.014552
"1047046"	228.077776	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2H"	2.014552
"217136"	303.767942666667	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+3H"	3.021828
"658886"	455.148276	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+3H"	3.021828
"1178107"	152.387609333333	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+3H"	3.021828
"439932"	926.315823	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+NH4"	18.033823
"801344"	1380.456823	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+NH4"	18.033823
"1693233"	472.174823	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+NH4"	18.033823
"344792"	463.6615495	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+H+NH4"	19.041099
"737216"	690.7320495	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+H+NH4"	19.041099
"1486660"	236.5910495	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H+NH4"	19.041099
"405343"	931.271218	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+Na"	22.989218
"761964"	1385.412218	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+Na"	22.989218
"1612247"	477.130218	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Na"	22.989218
"327751"	466.139247	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+H+Na"	23.996494
"713612"	693.209747	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+H+Na"	23.996494
"1464154"	239.068747	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H+Na"	23.996494
"1059588"	159.714923333333	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2H+Na"	25.00377
"1264551"	487.174486	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+CH3OH+H"	33.033486
"380939"	947.245158	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+K"	38.963158
"740840"	1401.386158	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+K"	38.963158
"1543983"	493.104158	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+K"	38.963158
"303347"	474.126217	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+H+K"	39.970434
"695767"	701.196717	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+H+K"	39.970434
"1448858"	247.055717	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H+K"	39.970434
"235880"	950.315826	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+ACN+H"	42.033826
"1211994"	496.174826	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+ACN+H"	42.033826
"1194777"	248.591051	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+ACN+2H"	43.041102
"191669"	953.25316	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+2Na-H"	44.97116
"630868"	1407.39416	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+2Na-H"	44.97116
"1133279"	499.11216	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2Na-H"	44.97116
"176572"	477.130218	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+2Na"	45.978436
"616133"	704.200718	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+2Na"	45.978436
"1120369"	250.059718	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2Na"	45.978436
"1400975"	167.042237333333	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H+2Na"	46.985712
"1432727"	501.153746	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H+HCOOH"	47.012746
"224616"	482.16324	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+3H2O+2H"	56.04448
"1513771"	515.20579	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+IsoProp+H"	61.06479
"411637"	485.117188	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+Na+K"	61.952376
"773722"	712.187688	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+Na+K"	61.952376
"1672970"	258.046688	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Na+K"	61.952376
"259489"	972.297768	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+ACN+Na"	64.015768
"1231103"	518.156768	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+ACN+Na"	64.015768
"1714519"	518.180293	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+NH4+HCOOH"	64.039293
"1181331"	174.369551333333	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+3Na"	68.967654
"1653780"	523.135688	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Na+HCOOH"	68.994688
"158571"	985.20104	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+2K-H"	76.91904
"598493"	1439.34204	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+2K-H"	76.91904
"1086894"	531.06004	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2K-H"	76.91904
"144076"	493.104158	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"2M+2K"	77.926316
"584731"	720.174658	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"3M+2K"	77.926316
"1071067"	266.033658	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2K"	77.926316
"1101360"	533.074592	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2K+H"	78.933592
"1337379"	533.162207	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+DMSO+H"	79.021207
"1006637"	537.201376	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2ACN+H"	83.060376
"1525856"	538.195008	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+IsoProp+Na+H"	84.054008
"990324"	269.104326	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+2ACN+2H"	84.067652
"1588267"	539.109628	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+K+HCOOH"	84.968628
"1414225"	569.141138	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+H+CF3COOH"	115.000138
"1147866"	289.617601	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+3ACN+2H"	125.094202
"1697787"	586.167685	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+NH4+CF3COOH"	132.026685
"1642918"	591.12308	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+Na+CF3COOH"	136.98208
"1578571"	607.09702	"C10617"	"Sirodesmin H"	"C20H26N2O8S"	"454.141"	"M+K+CF3COOH"	152.95602
"805659"	473.0482	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M"	0
"981381"	454.02981	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-H2O-H"	-19.01839
"72908"	314.358190666667	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M-3H"	-3.021828
"514655"	472.040924	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M-3H"	-3.021828
"883710"	156.675457333333	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-3H"	-3.021828
"2646"	472.040924	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M-2H"	-2.014552
"441476"	708.565024	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M-2H"	-2.014552
"817819"	235.516824	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-2H"	-2.014552
"79631"	945.089124	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M-H"	-1.007276
"519064"	1418.137324	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M-H"	-1.007276
"900275"	472.040924	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-H"	-1.007276
"53556"	962.115671	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M-2H+NH4"	16.019271
"490930"	1435.163871	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M-2H+NH4"	16.019271
"872012"	489.067471	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-2H+NH4"	16.019271
"37727"	967.071066	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M-2H+Na"	20.974666
"481661"	1440.119266	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M-2H+Na"	20.974666
"852902"	494.022866	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-2H+Na"	20.974666
"1618542"	494.022866	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Na-2H"	20.974666
"94670"	490.029263	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M-H+Cl"	33.962126
"535973"	726.553363	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M-H+Cl"	33.962126
"932042"	253.505163	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-H+Cl"	33.962126
"272792"	981.065802	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+Cl"	34.969402
"662658"	1454.114002	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+Cl"	34.969402
"1275429"	508.017602	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Cl"	34.969402
"18346"	983.045006	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M-2H+K"	36.948606
"457544"	1456.093206	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M-2H+K"	36.948606
"837534"	509.996806	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-2H+K"	36.948606
"1559929"	509.996806	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+K-2H"	36.948606
"944895"	518.046394	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-H+HCOOH"	44.998194
"363840"	991.094601	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+HCOOH-H"	44.998201
"351004"	1005.110251	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+Hac-H"	59.013851
"1493393"	532.062051	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Hac-H"	59.013851
"959353"	540.028351	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-H+NaCOOH"	66.980151
"110936"	508.017602	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+2Cl"	69.938804
"549991"	744.541702	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+2Cl"	69.938804
"1021646"	271.493502	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2Cl"	69.938804
"1242403"	551.967085	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Br"	78.918885
"1304843"	554.023072	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Cl+HCOOH"	80.974872
"1319907"	576.005029	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Cl+NaCOOH"	102.956829
"911781"	586.033786	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M-H+CF3COOH"	112.985586
"1289216"	622.010464	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Cl+CF3COOH"	148.962264
"1376662"	438.035524	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H-2H2O"	-35.012676
"1388694"	456.0455	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H-H2O"	-17.0027
"289473"	947.103676	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+H"	1.007276
"677159"	1420.151876	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+H"	1.007276
"1352778"	474.055476	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H"	1.007276
"126395"	474.055476	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+2H"	2.014552
"578355"	710.579576	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+2H"	2.014552
"1051173"	237.531376	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2H"	2.014552
"219561"	316.372742666667	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+3H"	3.021828
"657540"	474.055476	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+3H"	3.021828
"1175665"	158.690009333333	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+3H"	3.021828
"438208"	964.130223	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+NH4"	18.033823
"801277"	1437.178423	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+NH4"	18.033823
"1692977"	491.082023	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+NH4"	18.033823
"343443"	482.5687495	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+H+NH4"	19.041099
"735135"	719.0928495	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+H+NH4"	19.041099
"1483489"	246.0446495	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H+NH4"	19.041099
"401077"	969.085618	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+Na"	22.989218
"757699"	1442.133818	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+Na"	22.989218
"1607983"	496.037418	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Na"	22.989218
"319113"	485.046447	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+H+Na"	23.996494
"711536"	721.570547	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+H+Na"	23.996494
"1462320"	248.522347	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H+Na"	23.996494
"1056418"	166.017323333333	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2H+Na"	25.00377
"1264661"	506.081686	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+CH3OH+H"	33.033486
"382140"	985.059558	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+K"	38.963158
"742041"	1458.107758	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+K"	38.963158
"1543729"	512.011358	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+K"	38.963158
"303457"	493.033417	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+H+K"	39.970434
"694055"	729.557517	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+H+K"	39.970434
"1449698"	256.509317	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H+K"	39.970434
"235948"	988.130226	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+ACN+H"	42.033826
"1210321"	515.082026	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+ACN+H"	42.033826
"1195256"	258.044651	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+ACN+2H"	43.041102
"191412"	991.06756	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+2Na-H"	44.97116
"631341"	1464.11576	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+2Na-H"	44.97116
"1133268"	518.01936	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2Na-H"	44.97116
"180694"	496.037418	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+2Na"	45.978436
"618432"	732.561518	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+2Na"	45.978436
"1120115"	259.513318	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2Na"	45.978436
"1402545"	173.344637333333	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H+2Na"	46.985712
"1432837"	520.060946	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H+HCOOH"	47.012746
"224727"	501.07044	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+3H2O+2H"	56.04448
"1512058"	534.11299	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+IsoProp+H"	61.06479
"411747"	504.024388	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+Na+K"	61.952376
"773468"	740.548488	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+Na+K"	61.952376
"1671986"	267.500288	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Na+K"	61.952376
"257412"	1010.112168	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+ACN+Na"	64.015768
"1231213"	537.063968	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+ACN+Na"	64.015768
"1713657"	537.087493	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+NH4+HCOOH"	64.039293
"1180348"	180.671951333333	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+3Na"	68.967654
"1653159"	542.042888	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Na+HCOOH"	68.994688
"158560"	1023.01544	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+2K-H"	76.91904
"597266"	1496.06364	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+2K-H"	76.91904
"1085182"	549.96724	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2K-H"	76.91904
"142120"	512.011358	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"2M+2K"	77.926316
"582290"	748.535458	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"3M+2K"	77.926316
"1069840"	275.487258	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2K"	77.926316
"1100742"	551.981792	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2K+H"	78.933592
"1335623"	552.069407	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+DMSO+H"	79.021207
"1006507"	556.108576	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2ACN+H"	83.060376
"1526700"	557.102208	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+IsoProp+Na+H"	84.054008
"990346"	278.557926	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+2ACN+2H"	84.067652
"1587527"	558.016828	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+K+HCOOH"	84.968628
"1415136"	588.048338	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+H+CF3COOH"	115.000138
"1149435"	299.071201	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+3ACN+2H"	125.094202
"1698261"	605.074885	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+NH4+CF3COOH"	132.026685
"1635008"	610.03028	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+Na+CF3COOH"	136.98208
"1578681"	626.00422	"C10618"	"Sporidesmin"	"C18H20ClN3O6S2"	"473.0482"	"M+K+CF3COOH"	152.95602
"804676"	641.32	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M"	0
"982585"	622.30161	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-H2O-H"	-19.01839
"69738"	426.539390666667	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M-3H"	-3.021828
"510391"	640.312724	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M-3H"	-3.021828
"884913"	212.766057333333	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-3H"	-3.021828
"1299"	640.312724	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M-2H"	-2.014552
"440368"	960.972724	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M-2H"	-2.014552
"819751"	319.652724	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-2H"	-2.014552
"79742"	1281.632724	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M-H"	-1.007276
"520758"	1922.952724	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M-H"	-1.007276
"899656"	640.312724	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-H"	-1.007276
"53666"	1298.659271	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M-2H+NH4"	16.019271
"494322"	1939.979271	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M-2H+NH4"	16.019271
"869936"	657.339271	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-2H+NH4"	16.019271
"40024"	1303.614666	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M-2H+Na"	20.974666
"478491"	1944.934666	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M-2H+Na"	20.974666
"853011"	662.294666	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-2H+Na"	20.974666
"1618616"	662.294666	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Na-2H"	20.974666
"94578"	658.301063	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M-H+Cl"	33.962126
"535354"	978.961063	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M-H+Cl"	33.962126
"932153"	337.641063	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-H+Cl"	33.962126
"273995"	1317.609402	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+Cl"	34.969402
"662406"	1958.929402	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+Cl"	34.969402
"1273715"	676.289402	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Cl"	34.969402
"17363"	1319.588606	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M-2H+K"	36.948606
"456926"	1960.908606	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M-2H+K"	36.948606
"837644"	678.268606	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-2H+K"	36.948606
"1561133"	678.268606	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+K-2H"	36.948606
"943913"	686.318194	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-H+HCOOH"	44.998194
"362857"	1327.638201	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+HCOOH-H"	44.998201
"352208"	1341.653851	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+Hac-H"	59.013851
"1492867"	700.333851	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Hac-H"	59.013851
"959831"	708.300151	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-H+NaCOOH"	66.980151
"110926"	676.289402	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+2Cl"	69.938804
"550487"	996.949402	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+2Cl"	69.938804
"1023664"	355.629402	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2Cl"	69.938804
"1243241"	720.238885	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Br"	78.918885
"1304467"	722.294872	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Cl+HCOOH"	80.974872
"1320993"	744.276829	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Cl+NaCOOH"	102.956829
"912053"	754.305586	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M-H+CF3COOH"	112.985586
"1288803"	790.282264	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Cl+CF3COOH"	148.962264
"1374586"	606.307324	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H-2H2O"	-35.012676
"1388804"	624.3173	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H-H2O"	-17.0027
"291770"	1283.647276	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+H"	1.007276
"676541"	1924.967276	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+H"	1.007276
"1352160"	642.327276	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H"	1.007276
"126262"	642.327276	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+2H"	2.014552
"578465"	962.987276	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+2H"	2.014552
"1051405"	321.667276	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2H"	2.014552
"218087"	428.553942666667	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+3H"	3.021828
"657650"	642.327276	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+3H"	3.021828
"1176871"	214.780609333333	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+3H"	3.021828
"438928"	1300.673823	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+NH4"	18.033823
"800285"	1941.993823	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+NH4"	18.033823
"1694427"	659.353823	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+NH4"	18.033823
"345136"	650.8405495	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+H+NH4"	19.041099
"731966"	971.5005495	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+H+NH4"	19.041099
"1486879"	330.1805495	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H+NH4"	19.041099
"396812"	1305.629218	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+Na"	22.989218
"756710"	1946.949218	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+Na"	22.989218
"1603721"	664.309218	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Na"	22.989218
"321411"	653.318247	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+H+Na"	23.996494
"709092"	973.978247	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+H+Na"	23.996494
"1462550"	332.658247	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H+Na"	23.996494
"1055435"	222.107923333333	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2H+Na"	25.00377
"1265864"	674.353486	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+CH3OH+H"	33.033486
"381157"	1321.603158	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+K"	38.963158
"739964"	1962.923158	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+K"	38.963158
"1543110"	680.283158	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+K"	38.963158
"301380"	661.305217	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+H+K"	39.970434
"693803"	981.965217	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+H+K"	39.970434
"1448716"	340.645217	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H+K"	39.970434
"235873"	1324.673826	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+ACN+H"	42.033826
"1210391"	683.353826	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+ACN+H"	42.033826
"1194326"	342.180551	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+ACN+2H"	43.041102
"189698"	1327.61116	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+2Na-H"	44.97116
"631446"	1968.93116	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+2Na-H"	44.97116
"1134229"	686.29116	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2Na-H"	44.97116
"176792"	664.309218	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+2Na"	45.978436
"616353"	984.969218	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+2Na"	45.978436
"1119859"	343.649218	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2Na"	45.978436
"1403747"	229.435237333333	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H+2Na"	46.985712
"1431487"	688.332746	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H+HCOOH"	47.012746
"225561"	669.34224	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+3H2O+2H"	56.04448
"1511801"	702.38479	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+IsoProp+H"	61.06479
"413677"	672.296188	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+Na+K"	61.952376
"776858"	992.956188	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+Na+K"	61.952376
"1670635"	351.636188	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Na+K"	61.952376
"253508"	1346.655768	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+ACN+Na"	64.015768
"1230593"	705.335768	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+ACN+Na"	64.015768
"1715833"	705.359293	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+NH4+HCOOH"	64.039293
"1178489"	236.762551333333	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+3Na"	68.967654
"1650055"	710.314688	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Na+HCOOH"	68.994688
"157169"	1359.55904	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+2K-H"	76.91904
"597859"	2000.87904	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+2K-H"	76.91904
"1084312"	718.23904	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2K-H"	76.91904
"141537"	680.283158	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"2M+2K"	77.926316
"581908"	1000.943158	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"3M+2K"	77.926316
"1068729"	359.623158	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2K"	77.926316
"1100360"	720.253592	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2K+H"	78.933592
"1335814"	720.341207	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+DMSO+H"	79.021207
"1005879"	724.380376	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2ACN+H"	83.060376
"1524430"	725.374008	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+IsoProp+Na+H"	84.054008
"990339"	362.693826	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+2ACN+2H"	84.067652
"1587183"	726.288628	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+K+HCOOH"	84.968628
"1414180"	756.320138	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+H+CF3COOH"	115.000138
"1147724"	383.207101	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+3ACN+2H"	125.094202
"1697278"	773.346685	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+NH4+CF3COOH"	132.026685
"1635483"	778.30208	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+Na+CF3COOH"	136.98208
"1578791"	794.27602	"C10619"	"Taxine A"	"C35H47NO10"	"641.32"	"M+K+CF3COOH"	152.95602
"816088"	393.194	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M"	0
"989622"	374.17561	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-H2O-H"	-19.01839
"74221"	261.122057333333	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M-3H"	-3.021828
"510501"	392.186724	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M-3H"	-3.021828
"883932"	130.057390666667	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-3H"	-3.021828
"1773"	392.186724	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M-2H"	-2.014552
"444249"	588.783724	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M-2H"	-2.014552
"819865"	195.589724	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-2H"	-2.014552
"80583"	785.380724	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M-H"	-1.007276
"521600"	1178.574724	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M-H"	-1.007276
"897216"	392.186724	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-H"	-1.007276
"49770"	802.407271	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M-2H+NH4"	16.019271
"489694"	1195.601271	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M-2H+NH4"	16.019271
"868226"	409.213271	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-2H+NH4"	16.019271
"35032"	807.362666	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M-2H+Na"	20.974666
"472525"	1200.556666	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M-2H+Na"	20.974666
"852763"	414.168666	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-2H+Na"	20.974666
"1622660"	414.168666	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Na-2H"	20.974666
"97730"	410.175063	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M-H+Cl"	33.962126
"544219"	606.772063	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M-H+Cl"	33.962126
"931900"	213.578063	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-H+Cl"	33.962126
"275199"	821.357402	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+Cl"	34.969402
"664342"	1214.551402	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+Cl"	34.969402
"1280025"	428.163402	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Cl"	34.969402
"25863"	823.336606	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M-2H+K"	36.948606
"463236"	1216.530606	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M-2H+K"	36.948606
"843228"	430.142606	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-2H+K"	36.948606
"1563431"	430.142606	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+K-2H"	36.948606
"950222"	438.192194	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-H+HCOOH"	44.998194
"372810"	831.386201	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+HCOOH-H"	44.998201
"352322"	845.401851	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+Hac-H"	59.013851
"1493499"	452.207851	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Hac-H"	59.013851
"961039"	460.174151	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-H+NaCOOH"	66.980151
"112133"	428.163402	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+2Cl"	69.938804
"552787"	624.760402	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+2Cl"	69.938804
"1024867"	231.566402	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2Cl"	69.938804
"1244446"	472.112885	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Br"	78.918885
"1305070"	474.168872	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Cl+HCOOH"	80.974872
"1321834"	496.150829	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Cl+NaCOOH"	102.956829
"918733"	506.179586	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M-H+CF3COOH"	112.985586
"1293257"	542.156264	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Cl+CF3COOH"	148.962264
"1372512"	358.181324	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H-2H2O"	-35.012676
"1386729"	376.1913	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H-H2O"	-17.0027
"287509"	787.395276	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+H"	1.007276
"677015"	1180.589276	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+H"	1.007276
"1354820"	394.201276	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H"	1.007276
"128074"	394.201276	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+2H"	2.014552
"575295"	590.798276	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+2H"	2.014552
"1051151"	197.604276	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2H"	2.014552
"218441"	263.136609333333	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+3H"	3.021828
"657023"	394.201276	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+3H"	3.021828
"1177217"	132.071942666667	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+3H"	3.021828
"431865"	804.421823	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+NH4"	18.033823
"800028"	1197.615823	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+NH4"	18.033823
"1691377"	411.227823	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+NH4"	18.033823
"342937"	402.7145495	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+H+NH4"	19.041099
"732078"	599.3115495	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+H+NH4"	19.041099
"1489179"	206.1175495	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H+NH4"	19.041099
"401297"	809.377218	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+Na"	22.989218
"759010"	1202.571218	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+Na"	22.989218
"1613670"	416.183218	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Na"	22.989218
"322615"	405.192247	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+H+Na"	23.996494
"716130"	601.789247	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+H+Na"	23.996494
"1464482"	208.595247	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H+Na"	23.996494
"1062101"	139.399256666667	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2H+Na"	25.00377
"1260505"	426.227486	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+CH3OH+H"	33.033486
"383452"	825.351158	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+K"	38.963158
"741529"	1218.545158	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+K"	38.963158
"1546500"	432.157158	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+K"	38.963158
"303674"	413.179217	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+H+K"	39.970434
"697190"	609.776217	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+H+K"	39.970434
"1447003"	216.582217	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H+K"	39.970434
"237430"	828.421826	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+ACN+H"	42.033826
"1210004"	435.227826	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+ACN+H"	42.033826
"1194218"	218.117551	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+ACN+2H"	43.041102
"188704"	831.35916	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+2Na-H"	44.97116
"628569"	1224.55316	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+2Na-H"	44.97116
"1131441"	438.16516	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2Na-H"	44.97116
"172950"	416.183218	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+2Na"	45.978436
"613085"	612.780218	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+2Na"	45.978436
"1119968"	219.586218	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2Na"	45.978436
"1402764"	146.726570666667	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H+2Na"	46.985712
"1433421"	440.206746	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H+HCOOH"	47.012746
"224943"	421.21624	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+3H2O+2H"	56.04448
"1511548"	454.25879	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+IsoProp+H"	61.06479
"413786"	424.170188	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+Na+K"	61.952376
"776968"	620.767188	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+Na+K"	61.952376
"1671111"	227.573188	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Na+K"	61.952376
"259819"	850.403768	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+ACN+Na"	64.015768
"1229608"	457.209768	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+ACN+Na"	64.015768
"1716673"	457.233293	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+NH4+HCOOH"	64.039293
"1180934"	154.053884666667	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+3Na"	68.967654
"1650257"	462.188688	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Na+HCOOH"	68.994688
"157442"	863.30704	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+2K-H"	76.91904
"597095"	1256.50104	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+2K-H"	76.91904
"1085030"	470.11304	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2K-H"	76.91904
"141686"	432.157158	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"2M+2K"	77.926316
"581739"	628.754158	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"3M+2K"	77.926316
"1068646"	235.560158	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2K"	77.926316
"1100025"	472.127592	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2K+H"	78.933592
"1336049"	472.215207	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+DMSO+H"	79.021207
"1005769"	476.254376	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2ACN+H"	83.060376
"1526191"	477.248008	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+IsoProp+Na+H"	84.054008
"989977"	238.630826	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+2ACN+2H"	84.067652
"1587419"	478.162628	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+K+HCOOH"	84.968628
"1414300"	508.194138	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+H+CF3COOH"	115.000138
"1150386"	259.144101	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+3ACN+2H"	125.094202
"1698848"	525.220685	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+NH4+CF3COOH"	132.026685
"1635957"	530.17608	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+Na+CF3COOH"	136.98208
"1578901"	546.15002	"C10620"	"(-)-Tylocrebrine"	"C24H27NO4"	"393.194"	"M+K+CF3COOH"	152.95602
"808176"	400.1886	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M"	0
"983898"	381.17021	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H2O-H"	-19.01839
"74331"	265.785124	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-3H"	-3.021828
"511705"	399.181324	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-3H"	-3.021828
"880758"	132.388924	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-3H"	-3.021828
"4801"	399.181324	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H"	-2.014552
"443267"	599.275624	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H"	-2.014552
"822162"	199.087024	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H"	-2.014552
"80329"	799.369924	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-H"	-1.007276
"520617"	1199.558524	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-H"	-1.007276
"898055"	399.181324	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H"	-1.007276
"49151"	816.396471	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H+NH4"	16.019271
"490899"	1216.585071	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H+NH4"	16.019271
"869429"	416.207871	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H+NH4"	16.019271
"36964"	821.351866	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H+Na"	20.974666
"473607"	1221.540466	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H+Na"	20.974666
"852144"	421.163266	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H+Na"	20.974666
"1621677"	421.163266	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na-2H"	20.974666
"100758"	417.169663	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-H+Cl"	33.962126
"546516"	617.263963	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-H+Cl"	33.962126
"933468"	217.075363	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+Cl"	33.962126
"270935"	835.346602	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Cl"	34.969402
"664452"	1235.535202	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+Cl"	34.969402
"1277948"	435.158002	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl"	34.969402
"24880"	837.325806	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M-2H+K"	36.948606
"460067"	1237.514406	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M-2H+K"	36.948606
"843337"	437.137206	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-2H+K"	36.948606
"1562448"	437.137206	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K-2H"	36.948606
"948144"	445.186794	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+HCOOH"	44.998194
"368547"	845.375401	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+HCOOH-H"	44.998201
"352432"	859.391051	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Hac-H"	59.013851
"1496889"	459.202451	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Hac-H"	59.013851
"962242"	467.168751	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+NaCOOH"	66.980151
"110420"	435.158002	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2Cl"	69.938804
"550952"	635.252302	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2Cl"	69.938804
"1022060"	235.063702	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2Cl"	69.938804
"1247836"	479.107485	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Br"	78.918885
"1308098"	481.163472	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl+HCOOH"	80.974872
"1320492"	503.145429	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl+NaCOOH"	102.956829
"918843"	513.174186	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M-H+CF3COOH"	112.985586
"1293367"	549.150864	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Cl+CF3COOH"	148.962264
"1372622"	365.175924	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H-2H2O"	-35.012676
"1386839"	383.1859	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H-H2O"	-17.0027
"287619"	801.384476	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H"	1.007276
"676882"	1201.573076	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H"	1.007276
"1355295"	401.195876	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H"	1.007276
"133651"	401.195876	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2H"	2.014552
"575405"	601.290176	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2H"	2.014552
"1051746"	201.101576	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2H"	2.014552
"219279"	267.799676	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+3H"	3.021828
"656040"	401.195876	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+3H"	3.021828
"1177949"	134.403476	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+3H"	3.021828
"435255"	818.411023	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+NH4"	18.033823
"798436"	1218.599623	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+NH4"	18.033823
"1692581"	418.222423	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+NH4"	18.033823
"341954"	409.7091495	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H+NH4"	19.041099
"734376"	609.8034495	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H+NH4"	19.041099
"1489290"	209.6148495	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+NH4"	19.041099
"400314"	823.366418	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Na"	22.989218
"761308"	1223.555018	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+Na"	22.989218
"1608314"	423.177818	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na"	22.989218
"324913"	412.186847	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H+Na"	23.996494
"717335"	612.281147	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H+Na"	23.996494
"1464592"	212.092547	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+Na"	23.996494
"1063306"	141.73079	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2H+Na"	25.00377
"1259520"	433.222086	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+CH3OH+H"	33.033486
"382469"	839.340358	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+K"	38.963158
"741642"	1239.528958	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+K"	38.963158
"1541872"	439.151758	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K"	38.963158
"303786"	420.173817	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+H+K"	39.970434
"697300"	620.268117	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+H+K"	39.970434
"1446624"	220.079517	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+K"	39.970434
"237540"	842.411026	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+ACN+H"	42.033826
"1210602"	442.222426	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+ACN+H"	42.033826
"1194807"	221.614851	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+ACN+2H"	43.041102
"189298"	845.34836	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2Na-H"	44.97116
"629348"	1245.53696	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2Na-H"	44.97116
"1132488"	445.15976	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2Na-H"	44.97116
"173715"	423.177818	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2Na"	45.978436
"613640"	623.272118	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2Na"	45.978436
"1119350"	223.083518	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2Na"	45.978436
"1401782"	149.058104	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+2Na"	46.985712
"1432802"	447.201346	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+HCOOH"	47.012746
"227240"	428.21084	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+3H2O+2H"	56.04448
"1512387"	461.25339	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+IsoProp+H"	61.06479
"412070"	431.164788	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+Na+K"	61.952376
"774162"	631.259088	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+Na+K"	61.952376
"1673409"	231.070488	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na+K"	61.952376
"256649"	864.392968	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+ACN+Na"	64.015768
"1229718"	464.204368	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+ACN+Na"	64.015768
"1713177"	464.227893	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+NH4+HCOOH"	64.039293
"1181044"	156.385418	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+3Na"	68.967654
"1650207"	469.183288	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na+HCOOH"	68.994688
"157471"	877.29624	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2K-H"	76.91904
"597346"	1277.48484	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2K-H"	76.91904
"1084777"	477.10764	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2K-H"	76.91904
"143779"	439.151758	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"2M+2K"	77.926316
"583095"	639.246058	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"3M+2K"	77.926316
"1068826"	239.057458	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2K"	77.926316
"1100212"	479.122192	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2K+H"	78.933592
"1335990"	479.209807	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+DMSO+H"	79.021207
"1006218"	483.248976	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2ACN+H"	83.060376
"1524518"	484.242608	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+IsoProp+Na+H"	84.054008
"991290"	242.128126	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+2ACN+2H"	84.067652
"1587122"	485.157228	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K+HCOOH"	84.968628
"1414613"	515.188738	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+H+CF3COOH"	115.000138
"1150496"	262.641401	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+3ACN+2H"	125.094202
"1700051"	532.215285	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+NH4+CF3COOH"	132.026685
"1637890"	537.17068	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+Na+CF3COOH"	136.98208
"1579011"	553.14462	"C10621"	"Gomisin L1 methyl ether;Rubschisandrin;(-)-gamma-Schizandrin"	"C23H28O6"	"400.1886"	"M+K+CF3COOH"	152.95602
"805006"	432.2148	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M"	0
"982915"	413.19641	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-H2O-H"	-19.01839
"77357"	287.135924	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M-3H"	-3.021828
"517526"	431.207524	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M-3H"	-3.021828
"885245"	143.064324	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-3H"	-3.021828
"3817"	431.207524	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M-2H"	-2.014552
"444471"	647.314924	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M-2H"	-2.014552
"822274"	215.100124	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-2H"	-2.014552
"81901"	863.422324	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M-H"	-1.007276
"525105"	1295.637124	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M-H"	-1.007276
"901084"	431.207524	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-H"	-1.007276
"52909"	880.448871	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M-2H+NH4"	16.019271
"492832"	1312.663671	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M-2H+NH4"	16.019271
"869540"	448.234071	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-2H+NH4"	16.019271
"36347"	885.404266	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M-2H+Na"	20.974666
"475543"	1317.619066	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M-2H+Na"	20.974666
"856629"	453.189466	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-2H+Na"	20.974666
"1623977"	453.189466	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Na-2H"	20.974666
"107065"	449.195863	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M-H+Cl"	33.962126
"548692"	665.303263	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M-H+Cl"	33.962126
"940140"	233.088463	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-H+Cl"	33.962126
"272139"	899.399002	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+Cl"	34.969402
"663467"	1331.613802	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+Cl"	34.969402
"1282433"	467.184202	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Cl"	34.969402
"26084"	901.378206	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M-2H+K"	36.948606
"467833"	1333.593006	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M-2H+K"	36.948606
"844542"	469.163406	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-2H+K"	36.948606
"1568029"	469.163406	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+K-2H"	36.948606
"952629"	477.212994	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-H+HCOOH"	44.998194
"369751"	909.427801	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+HCOOH-H"	44.998201
"351446"	923.443451	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+Hac-H"	59.013851
"1494204"	491.228651	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Hac-H"	59.013851
"959314"	499.194951	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-H+NaCOOH"	66.980151
"112355"	467.184202	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+2Cl"	69.938804
"557382"	683.291602	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+2Cl"	69.938804
"1021560"	251.076802	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2Cl"	69.938804
"1244667"	511.133685	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Br"	78.918885
"1312585"	513.189672	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Cl+HCOOH"	80.974872
"1326802"	535.171629	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Cl+NaCOOH"	102.956829
"924423"	545.200386	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M-H+CF3COOH"	112.985586
"1296759"	581.177064	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Cl+CF3COOH"	148.962264
"1378931"	397.202124	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H-2H2O"	-35.012676
"1386949"	415.2121	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H-H2O"	-17.0027
"287729"	865.436876	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+H"	1.007276
"677235"	1297.651676	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+H"	1.007276
"1356500"	433.222076	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H"	1.007276
"130481"	433.222076	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+2H"	2.014552
"575515"	649.329476	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+2H"	2.014552
"1051860"	217.114676	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2H"	2.014552
"218783"	289.150476	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+3H"	3.021828
"658217"	433.222076	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+3H"	3.021828
"1177561"	145.078876	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+3H"	3.021828
"439258"	882.463423	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+NH4"	18.033823
"797452"	1314.678223	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+NH4"	18.033823
"1694877"	450.248623	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+NH4"	18.033823
"342792"	441.7353495	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+H+NH4"	19.041099
"732296"	657.8427495	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+H+NH4"	19.041099
"1487212"	225.6279495	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H+NH4"	19.041099
"396049"	887.418818	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+Na"	22.989218
"755951"	1319.633618	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+Na"	22.989218
"1608424"	455.204018	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Na"	22.989218
"318462"	444.213047	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+H+Na"	23.996494
"717445"	660.320447	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+H+Na"	23.996494
"1464703"	228.105647	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H+Na"	23.996494
"1057949"	152.40619	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2H+Na"	25.00377
"1259268"	465.248286	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+CH3OH+H"	33.033486
"380394"	903.392758	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+K"	38.963158
"740660"	1335.607558	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+K"	38.963158
"1543440"	471.177958	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+K"	38.963158
"303896"	452.200017	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+H+K"	39.970434
"694495"	668.307417	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+H+K"	39.970434
"1448316"	236.092617	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H+K"	39.970434
"237162"	906.463426	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+ACN+H"	42.033826
"1209954"	474.248626	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+ACN+H"	42.033826
"1194390"	237.627951	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+ACN+2H"	43.041102
"188968"	909.40076	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+2Na-H"	44.97116
"629339"	1341.61556	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+2Na-H"	44.97116
"1132721"	477.18596	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2Na-H"	44.97116
"173704"	455.204018	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+2Na"	45.978436
"617774"	671.311418	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+2Na"	45.978436
"1122013"	239.096618	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2Na"	45.978436
"1402257"	159.733504	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H+2Na"	46.985712
"1433642"	479.227546	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H+HCOOH"	47.012746
"226259"	460.23704	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+3H2O+2H"	56.04448
"1516507"	493.27959	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+IsoProp+H"	61.06479
"418382"	463.190988	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+Na+K"	61.952376
"771722"	679.298388	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+Na+K"	61.952376
"1671333"	247.083588	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Na+K"	61.952376
"256760"	928.445368	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+ACN+Na"	64.015768
"1232748"	496.230568	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+ACN+Na"	64.015768
"1716895"	496.254093	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+NH4+HCOOH"	64.039293
"1182615"	167.060818	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+3Na"	68.967654
"1652141"	501.209488	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Na+HCOOH"	68.994688
"158758"	941.34864	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+2K-H"	76.91904
"598793"	1373.56344	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+2K-H"	76.91904
"1084886"	509.13384	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2K-H"	76.91904
"143281"	471.177958	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"2M+2K"	77.926316
"582119"	687.285358	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"3M+2K"	77.926316
"1069053"	255.070558	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2K"	77.926316
"1100684"	511.148392	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2K+H"	78.933592
"1336219"	511.236007	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+DMSO+H"	79.021207
"1006083"	515.275176	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2ACN+H"	83.060376
"1526047"	516.268808	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+IsoProp+Na+H"	84.054008
"990545"	258.141226	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+2ACN+2H"	84.067652
"1587594"	517.183428	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+K+HCOOH"	84.968628
"1415086"	547.214938	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+H+CF3COOH"	115.000138
"1149513"	278.654501	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+3ACN+2H"	125.094202
"1700161"	564.241485	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+NH4+CF3COOH"	132.026685
"1638000"	569.19688	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+Na+CF3COOH"	136.98208
"1578028"	585.17082	"C10622"	"Grandisin"	"C24H32O7"	"432.2148"	"M+K+CF3COOH"	152.95602
"805116"	393.194	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M"	0
"984118"	374.17561	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-H2O-H"	-19.01839
"75646"	261.122057333333	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M-3H"	-3.021828
"517392"	392.186724	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M-3H"	-3.021828
"883167"	130.057390666667	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-3H"	-3.021828
"3198"	392.186724	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M-2H"	-2.014552
"442029"	588.783724	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M-2H"	-2.014552
"821287"	195.589724	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-2H"	-2.014552
"82737"	785.380724	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M-H"	-1.007276
"521567"	1178.574724	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M-H"	-1.007276
"900465"	392.186724	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-H"	-1.007276
"50465"	802.407271	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M-2H+NH4"	16.019271
"491119"	1195.601271	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M-2H+NH4"	16.019271
"867462"	409.213271	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-2H+NH4"	16.019271
"34271"	807.362666	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M-2H+Na"	20.974666
"473100"	1200.556666	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M-2H+Na"	20.974666
"856739"	414.168666	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-2H+Na"	20.974666
"1624085"	414.168666	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Na-2H"	20.974666
"103895"	410.175063	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M-H+Cl"	33.962126
"546736"	606.772063	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M-H+Cl"	33.962126
"940250"	213.578063	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-H+Cl"	33.962126
"273342"	821.357402	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+Cl"	34.969402
"664670"	1214.551402	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+Cl"	34.969402
"1283636"	428.163402	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Cl"	34.969402
"27287"	823.336606	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M-2H+K"	36.948606
"467943"	1216.530606	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M-2H+K"	36.948606
"845745"	430.142606	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-2H+K"	36.948606
"1568139"	430.142606	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+K-2H"	36.948606
"956748"	438.192194	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-H+HCOOH"	44.998194
"369861"	831.386201	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+HCOOH-H"	44.998201
"353743"	845.401851	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+Hac-H"	59.013851
"1497109"	452.207851	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Hac-H"	59.013851
"962462"	460.174151	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-H+NaCOOH"	66.980151
"112465"	428.163402	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+2Cl"	69.938804
"557492"	624.760402	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+2Cl"	69.938804
"1023011"	231.566402	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2Cl"	69.938804
"1245871"	472.112885	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Br"	78.918885
"1314881"	474.168872	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Cl+HCOOH"	80.974872
"1326912"	496.150829	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Cl+NaCOOH"	102.956829
"924534"	506.179586	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M-H+CF3COOH"	112.985586
"1296869"	542.156264	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Cl+CF3COOH"	148.962264
"1376125"	358.181324	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H-2H2O"	-35.012676
"1390339"	376.1913	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H-H2O"	-17.0027
"291120"	787.395276	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+H"	1.007276
"681354"	1180.589276	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+H"	1.007276
"1355152"	394.201276	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H"	1.007276
"131684"	394.201276	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+2H"	2.014552
"575625"	590.798276	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+2H"	2.014552
"1051719"	197.604276	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2H"	2.014552
"215609"	263.136609333333	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+3H"	3.021828
"658816"	394.201276	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+3H"	3.021828
"1175481"	132.071942666667	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+3H"	3.021828
"438999"	804.421823	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+NH4"	18.033823
"793189"	1197.615823	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+NH4"	18.033823
"1687332"	411.227823	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+NH4"	18.033823
"338890"	402.7145495	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+H+NH4"	19.041099
"729126"	599.3115495	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+H+NH4"	19.041099
"1487323"	206.1175495	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H+NH4"	19.041099
"397253"	809.377218	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+Na"	22.989218
"754967"	1202.571218	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+Na"	22.989218
"1605254"	416.183218	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Na"	22.989218
"322945"	405.192247	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+H+Na"	23.996494
"718648"	601.789247	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+H+Na"	23.996494
"1463719"	208.595247	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H+Na"	23.996494
"1059152"	139.399256666667	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2H+Na"	25.00377
"1257433"	426.227486	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+CH3OH+H"	33.033486
"378678"	825.351158	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+K"	38.963158
"739672"	1218.545158	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+K"	38.963158
"1542088"	432.157158	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+K"	38.963158
"299994"	413.179217	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+H+K"	39.970434
"692902"	609.776217	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+H+K"	39.970434
"1447333"	216.582217	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H+K"	39.970434
"235823"	828.421826	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+ACN+H"	42.033826
"1209946"	435.227826	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+ACN+H"	42.033826
"1195192"	218.117551	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+ACN+2H"	43.041102
"188954"	831.35916	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+2Na-H"	44.97116
"629203"	1224.55316	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+2Na-H"	44.97116
"1131510"	438.16516	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2Na-H"	44.97116
"173207"	416.183218	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+2Na"	45.978436
"616790"	612.780218	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+2Na"	45.978436
"1117377"	219.586218	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2Na"	45.978436
"1403455"	146.726570666667	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H+2Na"	46.985712
"1433386"	440.206746	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H+HCOOH"	47.012746
"227460"	421.21624	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+3H2O+2H"	56.04448
"1514430"	454.25879	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+IsoProp+H"	61.06479
"417399"	424.170188	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+Na+K"	61.952376
"772559"	620.767188	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+Na+K"	61.952376
"1669620"	227.573188	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Na+K"	61.952376
"256870"	850.403768	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+ACN+Na"	64.015768
"1230671"	457.209768	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+ACN+Na"	64.015768
"1715910"	457.233293	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+NH4+HCOOH"	64.039293
"1182725"	154.053884666667	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+3Na"	68.967654
"1651886"	462.188688	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Na+HCOOH"	68.994688
"158989"	863.30704	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+2K-H"	76.91904
"597813"	1256.50104	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+2K-H"	76.91904
"1085604"	470.11304	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2K-H"	76.91904
"143271"	432.157158	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"2M+2K"	77.926316
"582228"	628.754158	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"3M+2K"	77.926316
"1069410"	235.560158	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2K"	77.926316
"1100918"	472.127592	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2K+H"	78.933592
"1336215"	472.215207	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+DMSO+H"	79.021207
"1006317"	476.254376	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2ACN+H"	83.060376
"1524564"	477.248008	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+IsoProp+Na+H"	84.054008
"990525"	238.630826	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+2ACN+2H"	84.067652
"1587465"	478.162628	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+K+HCOOH"	84.968628
"1415075"	508.194138	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+H+CF3COOH"	115.000138
"1149987"	259.144101	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+3ACN+2H"	125.094202
"1699177"	525.220685	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+NH4+CF3COOH"	132.026685
"1637017"	530.17608	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+Na+CF3COOH"	136.98208
"1575951"	546.15002	"C10623"	"Tylophorine"	"C24H27NO4"	"393.194"	"M+K+CF3COOH"	152.95602
"805226"	244.1576	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M"	0
"983135"	225.13921	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-H2O-H"	-19.01839
"74663"	161.764457333333	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M-3H"	-3.021828
"516774"	243.150324	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M-3H"	-3.021828
"886557"	80.3785906666667	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-3H"	-3.021828
"1121"	243.150324	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M-2H"	-2.014552
"442502"	365.229124	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M-2H"	-2.014552
"821397"	121.071524	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-2H"	-2.014552
"81024"	487.307924	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M-H"	-1.007276
"520584"	731.465524	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M-H"	-1.007276
"899116"	243.150324	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-H"	-1.007276
"51668"	504.334471	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M-2H+NH4"	16.019271
"490136"	748.492071	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M-2H+NH4"	16.019271
"868666"	260.176871	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-2H+NH4"	16.019271
"33288"	509.289866	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M-2H+Na"	20.974666
"471462"	753.447466	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M-2H+Na"	20.974666
"856849"	265.132266	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-2H+Na"	20.974666
"1625290"	265.132266	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Na-2H"	20.974666
"101819"	261.138663	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M-H+Cl"	33.962126
"543567"	383.217463	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M-H+Cl"	33.962126
"937080"	139.059863	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-H+Cl"	33.962126
"271265"	523.284602	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+Cl"	34.969402
"661863"	767.442202	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+Cl"	34.969402
"1281559"	279.127002	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Cl"	34.969402
"25210"	525.263806	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M-2H+K"	36.948606
"468052"	769.421406	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M-2H+K"	36.948606
"845855"	281.106206	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-2H+K"	36.948606
"1568249"	281.106206	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+K-2H"	36.948606
"951757"	289.155794	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-H+HCOOH"	44.998194
"367784"	533.313401	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+HCOOH-H"	44.998201
"350573"	547.329051	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+Hac-H"	59.013851
"1499406"	303.171451	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Hac-H"	59.013851
"963665"	311.137751	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-H+NaCOOH"	66.980151
"111481"	279.127002	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+2Cl"	69.938804
"553228"	401.205802	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+2Cl"	69.938804
"1028589"	157.048202	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2Cl"	69.938804
"1241607"	323.076485	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Br"	78.918885
"1304785"	325.132472	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Cl+HCOOH"	80.974872
"1320175"	347.114429	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Cl+NaCOOH"	102.956829
"923551"	357.143186	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M-H+CF3COOH"	112.985586
"1301354"	393.119864	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Cl+CF3COOH"	148.962264
"1372955"	209.144924	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H-2H2O"	-35.012676
"1387169"	227.1549	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H-H2O"	-17.0027
"290137"	489.322476	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+H"	1.007276
"682558"	733.480076	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+H"	1.007276
"1356721"	245.164876	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H"	1.007276
"127421"	245.164876	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+2H"	2.014552
"579015"	367.243676	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+2H"	2.014552
"1052557"	123.086076	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2H"	2.014552
"217542"	163.779009333333	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+3H"	3.021828
"658930"	245.164876	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+3H"	3.021828
"1176686"	82.3931426666667	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+3H"	3.021828
"436677"	506.349023	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+NH4"	18.033823
"796579"	750.506623	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+NH4"	18.033823
"1687442"	262.191423	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+NH4"	18.033823
"340094"	253.6781495	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+H+NH4"	19.041099
"728144"	375.7569495	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+H+NH4"	19.041099
"1479779"	131.5993495	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H+NH4"	19.041099
"402832"	511.304418	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+Na"	22.989218
"762734"	755.462018	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+Na"	22.989218
"1609739"	267.146818	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Na"	22.989218
"319775"	256.155847	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+H+Na"	23.996494
"716571"	378.234647	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+H+Na"	23.996494
"1466016"	134.077047	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H+Na"	23.996494
"1060356"	89.7204566666667	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2H+Na"	25.00377
"1257704"	277.191086	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+CH3OH+H"	33.033486
"377328"	527.278358	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+K"	38.963158
"738849"	771.435958	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+K"	38.963158
"1540618"	283.120758	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+K"	38.963158
"299008"	264.142817	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+H+K"	39.970434
"691462"	386.221617	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+H+K"	39.970434
"1448536"	142.064017	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H+K"	39.970434
"236160"	530.349026	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+ACN+H"	42.033826
"1210943"	286.191426	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+ACN+H"	42.033826
"1194319"	143.599351	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+ACN+2H"	43.041102
"189267"	533.28636	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+2Na-H"	44.97116
"628659"	777.44396	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+2Na-H"	44.97116
"1131429"	289.12876	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2Na-H"	44.97116
"172956"	267.146818	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+2Na"	45.978436
"616900"	389.225618	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+2Na"	45.978436
"1117123"	145.068018	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2Na"	45.978436
"1401380"	97.0477706666667	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H+2Na"	46.985712
"1432767"	291.170346	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H+HCOOH"	47.012746
"227570"	272.17984	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+3H2O+2H"	56.04448
"1514540"	305.22239	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+IsoProp+H"	61.06479
"413135"	275.133788	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+Na+K"	61.952376
"771939"	397.212588	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+Na+K"	61.952376
"1668273"	153.054988	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Na+K"	61.952376
"260260"	552.330968	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+ACN+Na"	64.015768
"1230781"	308.173368	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+ACN+Na"	64.015768
"1715292"	308.196893	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+NH4+HCOOH"	64.039293
"1180038"	104.375084666667	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+3Na"	68.967654
"1652117"	313.152288	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Na+HCOOH"	68.994688
"158613"	565.23424	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+2K-H"	76.91904
"597358"	809.39184	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+2K-H"	76.91904
"1084501"	321.07664	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2K-H"	76.91904
"141478"	283.120758	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"2M+2K"	77.926316
"581853"	405.199558	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"3M+2K"	77.926316
"1068519"	161.041958	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2K"	77.926316
"1100661"	323.091192	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2K+H"	78.933592
"1335641"	323.178807	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+DMSO+H"	79.021207
"1005831"	327.217976	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2ACN+H"	83.060376
"1524177"	328.211608	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+IsoProp+Na+H"	84.054008
"990055"	164.112626	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+2ACN+2H"	84.067652
"1587063"	329.126228	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+K+HCOOH"	84.968628
"1414333"	359.157738	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+H+CF3COOH"	115.000138
"1149733"	184.625901	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+3ACN+2H"	125.094202
"1697828"	376.184285	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+NH4+CF3COOH"	132.026685
"1636032"	381.13968	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+Na+CF3COOH"	136.98208
"1576061"	397.11362	"C10624"	"Verruculotoxin"	"C15H20N2O"	"244.1576"	"M+K+CF3COOH"	152.95602
"814087"	184.1	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M"	0
"987620"	165.08161	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-H2O-H"	-19.01839
"71492"	121.726057333333	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M-3H"	-3.021828
"511052"	183.092724	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M-3H"	-3.021828
"886667"	60.3593906666667	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-3H"	-3.021828
"502"	183.092724	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M-2H"	-2.014552
"446987"	275.142724	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M-2H"	-2.014552
"820415"	91.042724	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-2H"	-2.014552
"82957"	367.192724	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M-H"	-1.007276
"522153"	551.292724	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M-H"	-1.007276
"901412"	183.092724	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-H"	-1.007276
"50683"	384.219271	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M-2H+NH4"	16.019271
"489514"	568.319271	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M-2H+NH4"	16.019271
"866589"	200.119271	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-2H+NH4"	16.019271
"35584"	389.174666	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M-2H+Na"	20.974666
"475143"	573.274666	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M-2H+Na"	20.974666
"851853"	205.074666	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-2H+Na"	20.974666
"1627585"	205.074666	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Na-2H"	20.974666
"104117"	201.081063	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M-H+Cl"	33.962126
"536383"	293.131063	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M-H+Cl"	33.962126
"927430"	109.031063	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-H+Cl"	33.962126
"275750"	403.169402	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+Cl"	34.969402
"663798"	587.269402	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+Cl"	34.969402
"1277294"	219.069402	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Cl"	34.969402
"24224"	405.148606	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M-2H+K"	36.948606
"461599"	589.248606	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M-2H+K"	36.948606
"845602"	221.048606	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-2H+K"	36.948606
"1562890"	221.048606	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+K-2H"	36.948606
"954053"	229.098194	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-H+HCOOH"	44.998194
"368987"	413.198201	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+HCOOH-H"	44.998201
"349592"	427.213851	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+Hac-H"	59.013851
"1498423"	243.113851	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Hac-H"	59.013851
"963777"	251.080151	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-H+NaCOOH"	66.980151
"113779"	219.069402	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+2Cl"	69.938804
"560992"	311.119402	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+2Cl"	69.938804
"1026512"	127.019402	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2Cl"	69.938804
"1249371"	263.018885	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Br"	78.918885
"1314007"	265.074872	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Cl+HCOOH"	80.974872
"1324942"	287.056829	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Cl+NaCOOH"	102.956829
"916004"	297.085586	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M-H+CF3COOH"	112.985586
"1299277"	333.062264	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Cl+CF3COOH"	148.962264
"1376343"	149.087324	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H-2H2O"	-35.012676
"1383150"	167.0973	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H-H2O"	-17.0027
"286968"	369.207276	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+H"	1.007276
"683762"	553.307276	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+H"	1.007276
"1359021"	185.107276	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H"	1.007276
"133003"	185.107276	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+2H"	2.014552
"579863"	277.157276	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+2H"	2.014552
"1050848"	93.057276	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2H"	2.014552
"213642"	123.740609333333	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+3H"	3.021828
"658305"	185.107276	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+3H"	3.021828
"1171327"	62.3739426666667	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+3H"	3.021828
"438851"	386.233823	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+NH4"	18.033823
"798874"	570.333823	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+NH4"	18.033823
"1690832"	202.133823	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+NH4"	18.033823
"336923"	193.6205495	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+H+NH4"	19.041099
"729345"	285.6705495	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+H+NH4"	19.041099
"1479887"	101.5705495	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H+NH4"	19.041099
"393461"	391.189218	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+Na"	22.989218
"754944"	575.289218	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+Na"	22.989218
"1606569"	207.089218	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Na"	22.989218
"314453"	196.098247	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+H+Na"	23.996494
"712307"	288.148247	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+H+Na"	23.996494
"1461430"	104.048247	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H+Na"	23.996494
"1052849"	69.7012566666667	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2H+Na"	25.00377
"1257366"	217.133486	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+CH3OH+H"	33.033486
"379628"	407.163158	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+K"	38.963158
"739404"	591.263158	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+K"	38.963158
"1544135"	223.063158	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+K"	38.963158
"299608"	204.085217	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+H+K"	39.970434
"697014"	296.135217	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+H+K"	39.970434
"1447556"	112.035217	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H+K"	39.970434
"235908"	410.233826	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+ACN+H"	42.033826
"1212145"	226.133826	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+ACN+H"	42.033826
"1195299"	113.570551	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+ACN+2H"	43.041102
"189750"	413.17116	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+2Na-H"	44.97116
"629550"	597.27116	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+2Na-H"	44.97116
"1132042"	229.07116	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2Na-H"	44.97116
"173267"	207.089218	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+2Na"	45.978436
"613239"	299.139218	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+2Na"	45.978436
"1116503"	115.039218	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2Na"	45.978436
"1399419"	77.0285706666667	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H+2Na"	46.985712
"1431414"	231.112746	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H+HCOOH"	47.012746
"222212"	212.12224	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+3H2O+2H"	56.04448
"1509539"	245.16479	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+IsoProp+H"	61.06479
"408863"	215.076188	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+Na+K"	61.952376
"770456"	307.126188	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+Na+K"	61.952376
"1666182"	123.026188	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Na+K"	61.952376
"251767"	432.215768	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+ACN+Na"	64.015768
"1226099"	248.115768	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+ACN+Na"	64.015768
"1714049"	248.139293	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+NH4+HCOOH"	64.039293
"1179325"	84.3558846666667	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+3Na"	68.967654
"1650108"	253.094688	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Na+HCOOH"	68.994688
"157497"	445.11904	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+2K-H"	76.91904
"598029"	629.21904	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+2K-H"	76.91904
"1085576"	261.01904	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2K-H"	76.91904
"142272"	223.063158	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"2M+2K"	77.926316
"581635"	315.113158	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"3M+2K"	77.926316
"1069387"	131.013158	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2K"	77.926316
"1100407"	263.033592	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2K+H"	78.933592
"1336672"	263.121207	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+DMSO+H"	79.021207
"1005726"	267.160376	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2ACN+H"	83.060376
"1524349"	268.154008	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+IsoProp+Na+H"	84.054008
"993195"	134.083826	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+2ACN+2H"	84.067652
"1587209"	269.068628	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+K+HCOOH"	84.968628
"1417734"	299.100138	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+H+CF3COOH"	115.000138
"1149481"	154.597101	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+3ACN+2H"	125.094202
"1698307"	316.126685	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+NH4+CF3COOH"	132.026685
"1647081"	321.08208	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+Na+CF3COOH"	136.98208
"1584919"	337.05602	"C10625"	"Withasomnine"	"C12H12N2"	"184.1"	"M+K+CF3COOH"	152.95602
"805446"	261.1365	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M"	0
"986273"	242.11811	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-H2O-H"	-19.01839
"72696"	173.083724	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M-3H"	-3.021828
"510069"	260.129224	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M-3H"	-3.021828
"882403"	86.038224	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-3H"	-3.021828
"734"	260.129224	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M-2H"	-2.014552
"446004"	390.697474	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M-2H"	-2.014552
"819796"	129.560974	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-2H"	-2.014552
"80151"	521.265724	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M-H"	-1.007276
"520076"	782.402224	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M-H"	-1.007276
"898603"	260.129224	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-H"	-1.007276
"49334"	538.292271	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M-2H+NH4"	16.019271
"487799"	799.428771	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M-2H+NH4"	16.019271
"867793"	277.155771	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-2H+NH4"	16.019271
"33141"	543.247666	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M-2H+Na"	20.974666
"475983"	804.384166	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M-2H+Na"	20.974666
"850504"	282.111166	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-2H+Na"	20.974666
"1629518"	282.111166	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Na-2H"	20.974666
"100946"	278.117563	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M-H+Cl"	33.962126
"535400"	408.685813	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M-H+Cl"	33.962126
"927821"	147.549313	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-H+Cl"	33.962126
"267390"	557.242402	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+Cl"	34.969402
"661721"	818.378902	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+Cl"	34.969402
"1275217"	296.105902	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Cl"	34.969402
"21054"	559.221606	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M-2H+K"	36.948606
"458429"	820.358106	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M-2H+K"	36.948606
"845348"	298.085106	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-2H+K"	36.948606
"1563000"	298.085106	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+K-2H"	36.948606
"954163"	306.134694	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-H+HCOOH"	44.998194
"371284"	567.271201	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+HCOOH-H"	44.998201
"347516"	581.286851	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+Hac-H"	59.013851
"1498534"	320.150351	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Hac-H"	59.013851
"963888"	328.116651	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-H+NaCOOH"	66.980151
"116075"	296.105902	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+2Cl"	69.938804
"557822"	426.674152	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+2Cl"	69.938804
"1030996"	165.537652	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2Cl"	69.938804
"1251668"	340.055385	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Br"	78.918885
"1310837"	342.111372	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Cl+HCOOH"	80.974872
"1326146"	364.093329	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Cl+NaCOOH"	102.956829
"916114"	374.122086	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M-H+CF3COOH"	112.985586
"1300483"	410.098764	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Cl+CF3COOH"	148.962264
"1379373"	226.123824	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H-2H2O"	-35.012676
"1393951"	244.1338	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H-H2O"	-17.0027
"287077"	523.280276	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+H"	1.007276
"680591"	784.416776	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+H"	1.007276
"1361316"	262.143776	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H"	1.007276
"130926"	262.143776	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+2H"	2.014552
"575955"	392.712026	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+2H"	2.014552
"1048037"	131.575526	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2H"	2.014552
"212660"	175.098276	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+3H"	3.021828
"657687"	262.143776	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+3H"	3.021828
"1174718"	88.052776	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+3H"	3.021828
"435802"	540.306823	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+NH4"	18.033823
"798984"	801.443323	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+NH4"	18.033823
"1690942"	279.170323	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+NH4"	18.033823
"338127"	270.6570495	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+H+NH4"	19.041099
"726538"	401.2252995	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+H+NH4"	19.041099
"1479266"	140.0887995	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H+NH4"	19.041099
"393685"	545.262218	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+Na"	22.989218
"758581"	806.398718	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+Na"	22.989218
"1606678"	284.125718	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Na"	22.989218
"314371"	273.134747	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+H+Na"	23.996494
"711323"	403.702997	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+H+Na"	23.996494
"1461497"	142.566497	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H+Na"	23.996494
"1053164"	95.38009	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2H+Na"	25.00377
"1258248"	294.169986	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+CH3OH+H"	33.033486
"379010"	561.236158	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+K"	38.963158
"739391"	822.372658	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+K"	38.963158
"1547160"	300.099658	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+K"	38.963158
"298863"	281.121717	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+H+K"	39.970434
"693478"	411.689967	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+H+K"	39.970434
"1445714"	150.553467	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H+K"	39.970434
"236991"	564.306826	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+ACN+H"	42.033826
"1210551"	303.170326	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+ACN+H"	42.033826
"1198326"	152.088801	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+ACN+2H"	43.041102
"190832"	567.24416	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+2Na-H"	44.97116
"630143"	828.38066	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+2Na-H"	44.97116
"1133165"	306.10766	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2Na-H"	44.97116
"174269"	284.125718	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+2Na"	45.978436
"614197"	414.693968	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+2Na"	45.978436
"1116976"	153.557468	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2Na"	45.978436
"1399529"	102.707404	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H+2Na"	46.985712
"1430794"	308.149246	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H+HCOOH"	47.012746
"221104"	289.15874	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+3H2O+2H"	56.04448
"1510741"	322.20129	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+IsoProp+H"	61.06479
"409822"	292.112688	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+Na+K"	61.952376
"770688"	422.680938	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+Na+K"	61.952376
"1665929"	161.544438	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Na+K"	61.952376
"251719"	586.288768	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+ACN+Na"	64.015768
"1226250"	325.152268	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+ACN+Na"	64.015768
"1714522"	325.175793	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+NH4+HCOOH"	64.039293
"1179150"	110.034718	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+3Na"	68.967654
"1650458"	330.131188	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Na+HCOOH"	68.994688
"158337"	599.19204	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+2K-H"	76.91904
"597780"	860.32854	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+2K-H"	76.91904
"1085571"	338.05554	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2K-H"	76.91904
"142141"	300.099658	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"2M+2K"	77.926316
"581826"	430.667908	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"3M+2K"	77.926316
"1068975"	169.531408	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2K"	77.926316
"1100641"	340.070092	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2K+H"	78.933592
"1336301"	340.157707	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+DMSO+H"	79.021207
"1007019"	344.196876	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2ACN+H"	83.060376
"1524299"	345.190508	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+IsoProp+Na+H"	84.054008
"990137"	172.602076	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+2ACN+2H"	84.067652
"1587312"	346.105128	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+K+HCOOH"	84.968628
"1416020"	376.136638	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+H+CF3COOH"	115.000138
"1150320"	193.115351	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+3ACN+2H"	125.094202
"1698417"	393.163185	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+NH4+CF3COOH"	132.026685
"1647191"	398.11858	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+Na+CF3COOH"	136.98208
"1578468"	414.09252	"C10626"	"Zinnimidine"	"C15H19NO3"	"261.1365"	"M+K+CF3COOH"	152.95602
"814305"	354.1103	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M"	0
"988570"	335.09191	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-H2O-H"	-19.01839
"71712"	235.066257333333	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M-3H"	-3.021828
"512365"	353.103024	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M-3H"	-3.021828
"882513"	117.029490666667	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-3H"	-3.021828
"2303"	353.103024	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M-2H"	-2.014552
"442835"	530.158174	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M-2H"	-2.014552
"821729"	176.047874	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-2H"	-2.014552
"85002"	707.213324	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M-H"	-1.007276
"526750"	1061.323624	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M-H"	-1.007276
"906737"	353.103024	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-H"	-1.007276
"57831"	724.239871	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M-2H+NH4"	16.019271
"489006"	1078.350171	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M-2H+NH4"	16.019271
"874101"	370.129571	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-2H+NH4"	16.019271
"40909"	729.195266	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M-2H+Na"	20.974666
"481563"	1083.305566	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M-2H+Na"	20.974666
"863013"	375.084966	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-2H+Na"	20.974666
"1631087"	375.084966	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Na-2H"	20.974666
"107618"	371.091363	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M-H+Cl"	33.962126
"547176"	548.146513	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M-H+Cl"	33.962126
"931944"	194.036213	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-H+Cl"	33.962126
"270502"	743.190002	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+Cl"	34.969402
"664018"	1097.300302	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+Cl"	34.969402
"1274598"	389.079702	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Cl"	34.969402
"24444"	745.169206	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M-2H+K"	36.948606
"464008"	1099.279506	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M-2H+K"	36.948606
"841809"	391.058906	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-2H+K"	36.948606
"1564204"	391.058906	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+K-2H"	36.948606
"950993"	399.108494	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-H+HCOOH"	44.998194
"371396"	753.218801	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+HCOOH-H"	44.998201
"355279"	767.234451	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+Hac-H"	59.013851
"1504110"	413.124151	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Hac-H"	59.013851
"963997"	421.090451	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-H+NaCOOH"	66.980151
"119465"	389.079702	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+2Cl"	69.938804
"561943"	566.134852	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+2Cl"	69.938804
"1030013"	212.024552	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2Cl"	69.938804
"1255424"	433.029185	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Br"	78.918885
"1319536"	435.085172	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Cl+HCOOH"	80.974872
"1326260"	457.067129	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Cl+NaCOOH"	102.956829
"925225"	467.095886	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M-H+CF3COOH"	112.985586
"1301320"	503.072564	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Cl+CF3COOH"	148.962264
"1380942"	319.097624	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H-2H2O"	-35.012676
"1397345"	337.1076	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H-H2O"	-17.0027
"290467"	709.227876	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+H"	1.007276
"687263"	1063.338176	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+H"	1.007276
"1363613"	355.117576	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H"	1.007276
"132130"	355.117576	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+2H"	2.014552
"569869"	532.172726	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+2H"	2.014552
"1048146"	178.062426	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2H"	2.014552
"219694"	237.080809333333	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+3H"	3.021828
"659823"	355.117576	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+3H"	3.021828
"1177988"	119.044042666667	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+3H"	3.021828
"435914"	726.254423	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+NH4"	18.033823
"795816"	1080.364723	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+NH4"	18.033823
"1693242"	372.144123	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+NH4"	18.033823
"341519"	363.6308495	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+H+NH4"	19.041099
"728473"	540.6859995	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+H+NH4"	19.041099
"1483387"	186.5756995	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H+NH4"	19.041099
"396601"	731.209818	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+Na"	22.989218
"767439"	1085.320118	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+Na"	22.989218
"1613349"	377.099518	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Na"	22.989218
"320106"	366.108547	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+H+Na"	23.996494
"712529"	543.163697	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+H+Na"	23.996494
"1462100"	189.053397	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H+Na"	23.996494
"1054251"	126.371356666667	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2H+Na"	25.00377
"1258722"	387.143786	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+CH3OH+H"	33.033486
"383130"	747.183758	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+K"	38.963158
"741208"	1101.294058	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+K"	38.963158
"1541804"	393.073458	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+K"	38.963158
"301531"	374.095517	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+H+K"	39.970434
"695047"	551.150667	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+H+K"	39.970434
"1446803"	197.040367	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H+K"	39.970434
"240387"	750.254426	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+ACN+H"	42.033826
"1214188"	396.144126	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+ACN+H"	42.033826
"1204634"	198.575701	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+ACN+2H"	43.041102
"192039"	753.19176	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+2Na-H"	44.97116
"633786"	1107.30206	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+2Na-H"	44.97116
"1133644"	399.08146	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2Na-H"	44.97116
"175108"	377.099518	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+2Na"	45.978436
"616128"	554.154668	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+2Na"	45.978436
"1120374"	200.044368	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2Na"	45.978436
"1403170"	133.698670666667	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H+2Na"	46.985712
"1430905"	401.123046	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H+HCOOH"	47.012746
"221336"	382.13254	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+3H2O+2H"	56.04448
"1514868"	415.17509	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+IsoProp+H"	61.06479
"410543"	385.086488	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+Na+K"	61.952376
"772269"	562.141638	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+Na+K"	61.952376
"1667867"	208.031338	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Na+K"	61.952376
"252684"	772.236368	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+ACN+Na"	64.015768
"1230015"	418.126068	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+ACN+Na"	64.015768
"1715619"	418.149593	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+NH4+HCOOH"	64.039293
"1179878"	141.025984666667	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+3Na"	68.967654
"1650618"	423.104988	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Na+HCOOH"	68.994688
"161011"	785.13964	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+2K-H"	76.91904
"598750"	1139.24994	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+2K-H"	76.91904
"1090552"	431.02934	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2K-H"	76.91904
"149556"	393.073458	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"2M+2K"	77.926316
"584378"	570.128608	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"3M+2K"	77.926316
"1071442"	216.018308	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2K"	77.926316
"1101977"	433.043892	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2K+H"	78.933592
"1338850"	433.131507	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+DMSO+H"	79.021207
"1012846"	437.170676	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2ACN+H"	83.060376
"1526719"	438.164308	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+IsoProp+Na+H"	84.054008
"994139"	219.088976	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+2ACN+2H"	84.067652
"1588028"	439.078928	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+K+HCOOH"	84.968628
"1416124"	469.110438	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+H+CF3COOH"	115.000138
"1149327"	239.602251	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+3ACN+2H"	125.094202
"1697423"	486.136985	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+NH4+CF3COOH"	132.026685
"1635269"	491.09238	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+Na+CF3COOH"	136.98208
"1578578"	507.06632	"C10627"	"Hinokinin"	"C20H18O6"	"354.1103"	"M+K+CF3COOH"	152.95602
"816612"	252.115	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M"	0
"980299"	233.09661	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-H2O-H"	-19.01839
"70728"	167.069390666667	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M-3H"	-3.021828
"507009"	251.107724	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M-3H"	-3.021828
"888093"	83.0310573333333	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-3H"	-3.021828
"7758"	251.107724	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M-2H"	-2.014552
"447320"	377.165224	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M-2H"	-2.014552
"825121"	125.050224	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-2H"	-2.014552
"81833"	503.222724	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M-H"	-1.007276
"523580"	755.337724	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M-H"	-1.007276
"897371"	251.107724	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-H"	-1.007276
"49195"	520.249271	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M-2H+NH4"	16.019271
"489484"	772.364271	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M-2H+NH4"	16.019271
"869110"	268.134271	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-2H+NH4"	16.019271
"38835"	525.204666	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M-2H+Na"	20.974666
"484955"	777.319666	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M-2H+Na"	20.974666
"860570"	273.089666	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-2H+Na"	20.974666
"1630106"	273.089666	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Na-2H"	20.974666
"109512"	269.096063	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M-H+Cl"	33.962126
"538541"	395.153563	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M-H+Cl"	33.962126
"930233"	143.038563	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-H+Cl"	33.962126
"274986"	539.199402	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+Cl"	34.969402
"668503"	791.314402	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+Cl"	34.969402
"1283094"	287.084402	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Cl"	34.969402
"26745"	541.178606	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M-2H+K"	36.948606
"467399"	793.293606	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M-2H+K"	36.948606
"844108"	289.063606	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-2H+K"	36.948606
"1559940"	289.063606	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+K-2H"	36.948606
"951103"	297.113194	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-H+HCOOH"	44.998194
"372599"	549.228201	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+HCOOH-H"	44.998201
"351017"	563.243851	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+Hac-H"	59.013851
"1499119"	311.128851	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Hac-H"	59.013851
"965206"	319.095151	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-H+NaCOOH"	66.980151
"120673"	287.084402	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+2Cl"	69.938804
"561327"	413.141902	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+2Cl"	69.938804
"1030127"	161.026902	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2Cl"	69.938804
"1248612"	331.033885	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Br"	78.918885
"1315436"	333.089872	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Cl+HCOOH"	80.974872
"1333303"	355.071829	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Cl+NaCOOH"	102.956829
"925092"	365.100586	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M-H+CF3COOH"	112.985586
"1303261"	401.077264	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Cl+CF3COOH"	148.962264
"1381547"	217.102324	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H-2H2O"	-35.012676
"1390892"	235.1123	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H-H2O"	-17.0027
"293859"	505.237276	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+H"	1.007276
"687375"	757.352276	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+H"	1.007276
"1361537"	253.122276	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H"	1.007276
"137715"	253.122276	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+2H"	2.014552
"577275"	379.179776	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+2H"	2.014552
"1047894"	127.064776	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2H"	2.014552
"216160"	169.083942666667	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+3H"	3.021828
"654263"	253.122276	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+3H"	3.021828
"1170564"	85.0456093333333	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+3H"	3.021828
"433837"	522.263823	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+NH4"	18.033823
"798479"	774.378823	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+NH4"	18.033823
"1687156"	270.148823	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+NH4"	18.033823
"339443"	261.6355495	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+H+NH4"	19.041099
"728587"	387.6930495	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+H+NH4"	19.041099
"1486781"	135.5780495	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H+NH4"	19.041099
"399263"	527.219218	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+Na"	22.989218
"763174"	779.334218	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+Na"	22.989218
"1616740"	275.104218	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Na"	22.989218
"324591"	264.113247	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+H+Na"	23.996494
"713735"	390.170747	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+H+Na"	23.996494
"1466467"	138.055747	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H+Na"	23.996494
"1057527"	92.3729233333333	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2H+Na"	25.00377
"1260659"	285.148486	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+CH3OH+H"	33.033486
"382147"	543.193158	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+K"	38.963158
"741320"	795.308158	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+K"	38.963158
"1544467"	291.078158	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+K"	38.963158
"306749"	272.100217	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+H+K"	39.970434
"698074"	398.157717	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+H+K"	39.970434
"1450802"	146.042717	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H+K"	39.970434
"236853"	546.263826	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+ACN+H"	42.033826
"1215394"	294.148826	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+ACN+H"	42.033826
"1205838"	147.578051	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+ACN+2H"	43.041102
"196522"	549.20116	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+2Na-H"	44.97116
"630252"	801.31616	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+2Na-H"	44.97116
"1132177"	297.08616	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2Na-H"	44.97116
"178515"	275.104218	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+2Na"	45.978436
"619169"	401.161718	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+2Na"	45.978436
"1118304"	149.046718	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2Na"	45.978436
"1399643"	99.7002373333333	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H+2Na"	46.985712
"1430540"	299.127746	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H+HCOOH"	47.012746
"221816"	280.13724	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+3H2O+2H"	56.04448
"1511704"	313.17979	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+IsoProp+H"	61.06479
"416858"	283.091188	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+Na+K"	61.952376
"776759"	409.148688	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+Na+K"	61.952376
"1674184"	157.033688	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Na+K"	61.952376
"254139"	568.245768	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+ACN+Na"	64.015768
"1231225"	316.130768	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+ACN+Na"	64.015768
"1713911"	316.154293	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+NH4+HCOOH"	64.039293
"1179627"	107.027551333333	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+3Na"	68.967654
"1651466"	321.109688	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Na+HCOOH"	68.994688
"158570"	581.14904	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+2K-H"	76.91904
"599588"	833.26404	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+2K-H"	76.91904
"1088474"	329.03404	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2K-H"	76.91904
"146386"	291.078158	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"2M+2K"	77.926316
"584124"	417.135658	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"3M+2K"	77.926316
"1071552"	165.020658	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2K"	77.926316
"1100628"	331.048592	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2K+H"	78.933592
"1338959"	331.136207	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+DMSO+H"	79.021207
"1009676"	335.175376	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2ACN+H"	83.060376
"1525006"	336.169008	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+IsoProp+Na+H"	84.054008
"993162"	168.091326	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+2ACN+2H"	84.067652
"1587053"	337.083628	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+K+HCOOH"	84.968628
"1414226"	367.115138	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+H+CF3COOH"	115.000138
"1152365"	188.604601	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+3ACN+2H"	125.094202
"1712695"	384.141685	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+NH4+CF3COOH"	132.026685
"1647411"	389.09708	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+Na+CF3COOH"	136.98208
"1585249"	405.07102	"C10628"	"cis-Hinokiresinol"	"C17H16O2"	"252.115"	"M+K+CF3COOH"	152.95602
"809057"	311.1158	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M"	0
"989032"	292.09741	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-H2O-H"	-19.01839
"71931"	206.403257333333	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M-3H"	-3.021828
"503960"	310.108524	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M-3H"	-3.021828
"882734"	102.697990666667	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-3H"	-3.021828
"333"	310.108524	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M-2H"	-2.014552
"441593"	465.666424	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M-2H"	-2.014552
"826323"	154.550624	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-2H"	-2.014552
"80848"	621.224324	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M-H"	-1.007276
"528061"	932.340124	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M-H"	-1.007276
"900397"	310.108524	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-H"	-1.007276
"49302"	638.250871	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M-2H+NH4"	16.019271
"488863"	949.366671	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M-2H+NH4"	16.019271
"866664"	327.135071	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-2H+NH4"	16.019271
"32743"	643.206266	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M-2H+Na"	20.974666
"472305"	954.322066	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M-2H+Na"	20.974666
"850107"	332.090466	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-2H+Na"	20.974666
"1623655"	332.090466	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Na-2H"	20.974666
"104557"	328.096863	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M-H+Cl"	33.962126
"536097"	483.654763	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M-H+Cl"	33.962126
"929249"	172.538963	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-H+Cl"	33.962126
"271816"	657.201002	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+Cl"	34.969402
"662416"	968.316802	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+Cl"	34.969402
"1281016"	346.085202	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Cl"	34.969402
"17011"	659.180206	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M-2H+K"	36.948606
"459852"	970.296006	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M-2H+K"	36.948606
"844947"	348.064406	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-2H+K"	36.948606
"1566611"	348.064406	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+K-2H"	36.948606
"950119"	356.113994	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-H+HCOOH"	44.998194
"370521"	667.229801	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+HCOOH-H"	44.998201
"351128"	681.245451	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+Hac-H"	59.013851
"1499958"	370.129651	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Hac-H"	59.013851
"971514"	378.095951	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-H+NaCOOH"	66.980151
"120784"	346.085202	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+2Cl"	69.938804
"563262"	501.643102	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+2Cl"	69.938804
"1030237"	190.527302	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2Cl"	69.938804
"1249817"	390.034685	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Br"	78.918885
"1314453"	392.090672	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Cl+HCOOH"	80.974872
"1334751"	414.072629	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Cl+NaCOOH"	102.956829
"926301"	424.101386	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M-H+CF3COOH"	112.985586
"1303495"	460.078064	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Cl+CF3COOH"	148.962264
"1381294"	276.103124	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H-2H2O"	-35.012676
"1393189"	294.1131	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H-H2O"	-17.0027
"293969"	623.238876	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+H"	1.007276
"690039"	934.354676	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+H"	1.007276
"1359460"	312.123076	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H"	1.007276
"137461"	312.123076	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+2H"	2.014552
"578843"	467.680976	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+2H"	2.014552
"1049464"	156.565176	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2H"	2.014552
"215177"	208.417809333333	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+3H"	3.021828
"653644"	312.123076	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+3H"	3.021828
"1169584"	104.712542666667	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+3H"	3.021828
"432491"	640.265423	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+NH4"	18.033823
"800534"	951.381223	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+NH4"	18.033823
"1690183"	329.149623	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+NH4"	18.033823
"339553"	320.6363495	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+H+NH4"	19.041099
"728697"	476.1942495	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+H+NH4"	19.041099
"1485799"	165.0784495	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H+NH4"	19.041099
"400105"	645.220818	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+Na"	22.989218
"761098"	956.336618	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+Na"	22.989218
"1614664"	334.105018	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Na"	22.989218
"324702"	323.114047	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+H+Na"	23.996494
"711657"	478.671947	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+H+Na"	23.996494
"1466942"	167.556147	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H+Na"	23.996494
"1058730"	112.039856666667	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2H+Na"	25.00377
"1260405"	344.149286	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+CH3OH+H"	33.033486
"381166"	661.194758	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+K"	38.963158
"743255"	972.310558	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+K"	38.963158
"1546403"	350.078958	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+K"	38.963158
"304674"	331.101017	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+H+K"	39.970434
"696000"	486.658917	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+H+K"	39.970434
"1452009"	175.543117	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H+K"	39.970434
"241704"	664.265426	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+ACN+H"	42.033826
"1211131"	353.149626	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+ACN+H"	42.033826
"1205949"	177.078451	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+ACN+2H"	43.041102
"199913"	667.20276	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+2Na-H"	44.97116
"630362"	978.31856	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+2Na-H"	44.97116
"1131926"	356.08696	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2Na-H"	44.97116
"174495"	334.105018	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+2Na"	45.978436
"620373"	489.662918	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+2Na"	45.978436
"1115857"	178.547118	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2Na"	45.978436
"1404127"	119.367170666667	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H+2Na"	46.985712
"1430405"	358.128546	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H+HCOOH"	47.012746
"224115"	339.13804	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+3H2O+2H"	56.04448
"1515094"	372.18059	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+IsoProp+H"	61.06479
"418061"	342.091988	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+Na+K"	61.952376
"776869"	497.649888	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+Na+K"	61.952376
"1672108"	186.534088	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Na+K"	61.952376
"258626"	686.247368	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+ACN+Na"	64.015768
"1233522"	375.131568	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+ACN+Na"	64.015768
"1717666"	375.155093	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+NH4+HCOOH"	64.039293
"1181198"	126.694484666667	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+3Na"	68.967654
"1655465"	380.110488	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Na+HCOOH"	68.994688
"160503"	699.15064	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+2K-H"	76.91904
"599698"	1010.26644	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+2K-H"	76.91904
"1089678"	388.03484	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2K-H"	76.91904
"143580"	350.078958	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"2M+2K"	77.926316
"584964"	505.636858	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"3M+2K"	77.926316
"1071055"	194.521058	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2K"	77.926316
"1099920"	390.049392	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2K+H"	78.933592
"1339069"	390.137007	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+DMSO+H"	79.021207
"1009786"	394.176176	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2ACN+H"	83.060376
"1524304"	395.169808	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+IsoProp+Na+H"	84.054008
"993272"	197.591726	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+2ACN+2H"	84.067652
"1588870"	396.084428	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+K+HCOOH"	84.968628
"1414648"	426.115938	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+H+CF3COOH"	115.000138
"1152476"	218.105001	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+3ACN+2H"	125.094202
"1712240"	443.142485	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+NH4+CF3COOH"	132.026685
"1644240"	448.09788	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+Na+CF3COOH"	136.98208
"1578798"	464.07182	"C10629"	"Acronidine"	"C18H17NO4"	"311.1158"	"M+K+CF3COOH"	152.95602
"805887"	266.1307	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M"	0
"988170"	247.11231	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"75323"	176.413190666667	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"503582"	265.123424	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"882844"	87.7029573333333	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"102"	265.123424	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"445351"	398.188774	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"822061"	132.058074	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"84239"	531.254124	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"531451"	797.384824	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"904880"	265.123424	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"49411"	548.280671	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"489701"	814.411371	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"868234"	282.149971	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"34676"	553.236066	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"474237"	819.366766	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"854593"	287.105366	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1623765"	287.105366	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"104667"	283.111763	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"535843"	416.177113	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"930088"	150.046413	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"273020"	567.230802	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"667630"	833.361502	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1275659"	301.100102	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"19308"	569.210006	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"457775"	835.340706	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"843234"	303.079306	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1566721"	303.079306	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"950229"	311.128894	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"372818"	577.259601	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"359622"	591.275251	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1503348"	325.144551	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"971624"	333.110851	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"120894"	301.100102	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"563372"	434.165452	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1032534"	168.034752	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1249927"	345.049585	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1314563"	347.105572	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1334978"	369.087529	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"925682"	379.116286	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1303476"	415.092964	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1381886"	231.118024	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1393299"	249.128	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"295902"	533.268676	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"687959"	799.399376	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1358476"	267.137976	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"134656"	267.137976	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"574212"	400.203326	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1045199"	134.072626	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"206538"	178.427742666667	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"647193"	267.137976	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1167507"	89.7175093333333	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"431871"	550.295223	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"790680"	816.425923	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1689929"	284.164523	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"339663"	275.6512495	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"730993"	408.7165995	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1487369"	142.5858995	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"405320"	555.250618	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"761211"	821.381318	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1612588"	289.119918	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"323719"	278.128947	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"711768"	411.194297	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1467783"	145.063597	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1059935"	97.0448233333333	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1257600"	299.164186	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"380183"	571.224558	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"744458"	837.355258	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1542503"	305.093858	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"304785"	286.115917	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"699389"	419.181267	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1446283"	153.050567	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"246915"	574.295226	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1218895"	308.164526	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1200592"	154.585901	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"196743"	577.23256	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"630471"	843.36326	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1133374"	311.10186	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"173873"	289.119918	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"618296"	422.185268	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1115967"	156.054568	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1403144"	104.372137333333	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1430223"	313.143446	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"226048"	294.15294	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1517392"	327.19549	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"414892"	297.106888	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"778074"	430.172238	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1670030"	164.041538	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"258737"	596.277168	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1235821"	330.146468	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1719237"	330.169993	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1181308"	111.699451333333	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1654482"	335.125388	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"161343"	609.18044	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"605277"	875.31114	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1089789"	343.04974	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"145514"	305.093858	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"587261"	438.159208	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1071774"	172.028508	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1100161"	345.064292	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1340273"	345.151907	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1009895"	349.191076	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1526925"	350.184708	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"992655"	175.099176	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1592262"	351.099328	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1415002"	381.130838	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1150399"	195.612451	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1710888"	398.157385	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1644351"	403.11278	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1576721"	419.08672	"C10630"	"Honokiol"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"809277"	289.095	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M"	0
"988645"	270.07661	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-H2O-H"	-19.01839
"74338"	191.722724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M-3H"	-3.021828
"513897"	288.087724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M-3H"	-3.021828
"882954"	95.357724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-3H"	-3.021828
"3716"	288.087724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M-2H"	-2.014552
"446555"	432.635224	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M-2H"	-2.014552
"824357"	143.540224	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-2H"	-2.014552
"81068"	577.182724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M-H"	-1.007276
"527189"	866.277724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M-H"	-1.007276
"904990"	288.087724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-H"	-1.007276
"50251"	594.209271	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M-2H+NH4"	16.019271
"490539"	883.304271	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M-2H+NH4"	16.019271
"867980"	305.114271	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-2H+NH4"	16.019271
"34056"	599.164666	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M-2H+Na"	20.974666
"473983"	888.259666	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M-2H+Na"	20.974666
"854339"	310.069666	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-2H+Na"	20.974666
"1619502"	310.069666	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Na-2H"	20.974666
"102591"	306.076063	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M-H+Cl"	33.962126
"534286"	450.623563	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M-H+Cl"	33.962126
"927404"	161.528563	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-H+Cl"	33.962126
"270214"	613.159402	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+Cl"	34.969402
"663366"	902.254402	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+Cl"	34.969402
"1276862"	324.064402	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Cl"	34.969402
"19418"	615.138606	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M-2H+K"	36.948606
"456302"	904.233606	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M-2H+K"	36.948606
"841157"	326.043606	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-2H+K"	36.948606
"1563551"	326.043606	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+K-2H"	36.948606
"950339"	334.093194	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-H+HCOOH"	44.998194
"369647"	623.188201	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+HCOOH-H"	44.998201
"358273"	637.203851	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+Hac-H"	59.013851
"1501271"	348.108851	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Hac-H"	59.013851
"971734"	356.075151	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-H+NaCOOH"	66.980151
"122827"	324.064402	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+2Cl"	69.938804
"564818"	468.611902	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+2Cl"	69.938804
"1033737"	179.516902	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2Cl"	69.938804
"1251130"	368.013885	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Br"	78.918885
"1313579"	370.069872	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Cl+HCOOH"	80.974872
"1332901"	392.051829	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Cl+NaCOOH"	102.956829
"925785"	402.080586	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M-H+CF3COOH"	112.985586
"1303828"	438.057264	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Cl+CF3COOH"	148.962264
"1381382"	254.082324	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H-2H2O"	-35.012676
"1390129"	272.0923	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H-H2O"	-17.0027
"294189"	579.197276	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+H"	1.007276
"688433"	868.292276	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+H"	1.007276
"1358586"	290.102276	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H"	1.007276
"137681"	290.102276	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+2H"	2.014552
"575415"	434.649776	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+2H"	2.014552
"1046402"	145.554776	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2H"	2.014552
"207741"	193.737276	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+3H"	3.021828
"648395"	290.102276	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+3H"	3.021828
"1166523"	97.372276	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+3H"	3.021828
"428701"	596.223823	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+NH4"	18.033823
"792976"	885.318823	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+NH4"	18.033823
"1687122"	307.128823	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+NH4"	18.033823
"336493"	298.6155495	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+H+NH4"	19.041099
"731103"	443.1630495	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+H+NH4"	19.041099
"1489666"	154.0680495	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H+NH4"	19.041099
"405065"	601.179218	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+Na"	22.989218
"762414"	890.274218	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+Na"	22.989218
"1610512"	312.084218	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Na"	22.989218
"326015"	301.093247	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+H+Na"	23.996494
"715158"	445.640747	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+H+Na"	23.996494
"1470079"	156.545747	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H+Na"	23.996494
"1057860"	104.69959	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2H+Na"	25.00377
"1261720"	322.128486	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+CH3OH+H"	33.033486
"381386"	617.153158	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+K"	38.963158
"744569"	906.248158	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+K"	38.963158
"1544435"	328.058158	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+K"	38.963158
"307081"	309.080217	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+H+K"	39.970434
"698406"	453.627717	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+H+K"	39.970434
"1447125"	164.532717	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H+K"	39.970434
"240829"	620.223826	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+ACN+H"	42.033826
"1211715"	331.128826	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+ACN+H"	42.033826
"1200702"	166.068051	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+ACN+2H"	43.041102
"200133"	623.16116	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+2Na-H"	44.97116
"635319"	912.25616	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+2Na-H"	44.97116
"1132263"	334.06616	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2Na-H"	44.97116
"173212"	312.084218	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+2Na"	45.978436
"618406"	456.631718	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+2Na"	45.978436
"1115751"	167.536718	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2Na"	45.978436
"1400216"	112.026904	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H+2Na"	46.985712
"1430049"	336.107746	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H+HCOOH"	47.012746
"226158"	317.11724	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+3H2O+2H"	56.04448
"1515315"	350.15979	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+IsoProp+H"	61.06479
"416096"	320.071188	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+Na+K"	61.952376
"778184"	464.618688	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+Na+K"	61.952376
"1669046"	175.523688	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Na+K"	61.952376
"258846"	642.205768	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+ACN+Na"	64.015768
"1233743"	353.110768	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+ACN+Na"	64.015768
"1718254"	353.134293	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+NH4+HCOOH"	64.039293
"1182513"	119.354218	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+3Na"	68.967654
"1654592"	358.089688	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Na+HCOOH"	68.994688
"158294"	655.10904	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+2K-H"	76.91904
"601013"	944.20404	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+2K-H"	76.91904
"1085525"	366.01404	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2K-H"	76.91904
"147812"	328.058158	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"2M+2K"	77.926316
"586278"	472.605658	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"3M+2K"	77.926316
"1075165"	183.510658	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2K"	77.926316
"1101812"	368.028592	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2K+H"	78.933592
"1338196"	368.116207	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+DMSO+H"	79.021207
"1007819"	372.155376	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2ACN+H"	83.060376
"1525212"	373.149008	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+IsoProp+Na+H"	84.054008
"993494"	186.581326	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+2ACN+2H"	84.067652
"1593465"	374.063628	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+K+HCOOH"	84.968628
"1415841"	404.095138	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+H+CF3COOH"	115.000138
"1154882"	207.094601	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+3ACN+2H"	125.094202
"1704435"	421.121685	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+NH4+CF3COOH"	132.026685
"1647741"	426.07708	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+Na+CF3COOH"	136.98208
"1579018"	442.05102	"C10631"	"Acronycidine;Furo(23-b)quinoline 4578-tetramethoxy-"	"C15H15NO5"	"289.095"	"M+K+CF3COOH"	152.95602
"812667"	321.1365	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M"	0
"988755"	302.11811	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-H2O-H"	-19.01839
"78343"	213.083724	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M-3H"	-3.021828
"518388"	320.129224	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M-3H"	-3.021828
"887438"	106.038224	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-3H"	-3.021828
"7107"	320.129224	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M-2H"	-2.014552
"446666"	480.697474	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M-2H"	-2.014552
"823376"	159.560974	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-2H"	-2.014552
"84462"	641.265724	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M-H"	-1.007276
"534110"	962.402224	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M-H"	-1.007276
"908869"	320.129224	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-H"	-1.007276
"54010"	658.292271	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M-2H+NH4"	16.019271
"493571"	979.428771	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M-2H+NH4"	16.019271
"876110"	337.155771	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-2H+NH4"	16.019271
"38179"	663.247666	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M-2H+Na"	20.974666
"475552"	984.384166	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M-2H+Na"	20.974666
"856636"	342.111166	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-2H+Na"	20.974666
"1631275"	342.111166	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Na-2H"	20.974666
"108168"	338.117563	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M-H+Cl"	33.962126
"536064"	498.685813	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M-H+Cl"	33.962126
"928606"	177.549313	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-H+Cl"	33.962126
"274334"	677.242402	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+Cl"	34.969402
"673197"	998.378902	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+Cl"	34.969402
"1285720"	356.105902	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Cl"	34.969402
"26089"	679.221606	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M-2H+K"	36.948606
"466743"	1000.358106	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M-2H+K"	36.948606
"845277"	358.085106	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-2H+K"	36.948606
"1569128"	358.085106	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+K-2H"	36.948606
"957009"	366.134694	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-H+HCOOH"	44.998194
"369757"	687.271201	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+HCOOH-H"	44.998201
"360693"	701.286851	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+Hac-H"	59.013851
"1502475"	380.150351	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Hac-H"	59.013851
"973871"	388.116651	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-H+NaCOOH"	66.980151
"122935"	356.105902	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+2Cl"	69.938804
"563591"	516.674152	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+2Cl"	69.938804
"1033847"	195.537652	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2Cl"	69.938804
"1251241"	400.055385	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Br"	78.918885
"1315876"	402.111372	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Cl+HCOOH"	80.974872
"1335571"	424.093329	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Cl+NaCOOH"	102.956829
"926263"	434.122086	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M-H+CF3COOH"	112.985586
"1303860"	470.098764	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Cl+CF3COOH"	148.962264
"1382472"	286.123824	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H-2H2O"	-35.012676
"1397164"	304.1338	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H-H2O"	-17.0027
"298070"	643.280276	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+H"	1.007276
"690003"	964.416776	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+H"	1.007276
"1357602"	322.143776	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H"	1.007276
"139249"	322.143776	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+2H"	2.014552
"576620"	482.712026	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+2H"	2.014552
"1047241"	161.575526	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2H"	2.014552
"207851"	215.098276	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+3H"	3.021828
"649599"	322.143776	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+3H"	3.021828
"1166632"	108.052776	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+3H"	3.021828
"432091"	660.306823	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+NH4"	18.033823
"794180"	981.443323	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+NH4"	18.033823
"1690511"	339.170323	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+NH4"	18.033823
"333323"	330.6570495	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+H+NH4"	19.041099
"727933"	491.2252995	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+H+NH4"	19.041099
"1481752"	170.0887995	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H+NH4"	19.041099
"403712"	665.262218	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+Na"	22.989218
"763613"	986.398718	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+Na"	22.989218
"1612809"	344.125718	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Na"	22.989218
"323939"	333.134747	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+H+Na"	23.996494
"715264"	493.702997	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+H+Na"	23.996494
"1474564"	172.566497	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H+Na"	23.996494
"1064166"	115.38009	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2H+Na"	25.00377
"1264018"	354.169986	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+CH3OH+H"	33.033486
"380405"	681.236158	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+K"	38.963158
"743588"	1002.372658	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+K"	38.963158
"1545639"	360.099658	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+K"	38.963158
"306098"	341.121717	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+H+K"	39.970434
"695236"	501.689967	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+H+K"	39.970434
"1446871"	180.553467	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H+K"	39.970434
"239846"	684.306826	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+ACN+H"	42.033826
"1214012"	363.170326	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+ACN+H"	42.033826
"1199717"	182.088801	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+ACN+2H"	43.041102
"201336"	687.24416	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+2Na-H"	44.97116
"637616"	1008.38066	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+2Na-H"	44.97116
"1132742"	366.10766	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2Na-H"	44.97116
"175676"	344.125718	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+2Na"	45.978436
"618516"	504.693968	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+2Na"	45.978436
"1119837"	183.557468	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2Na"	45.978436
"1403364"	122.707404	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H+2Na"	46.985712
"1430495"	368.149246	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H+HCOOH"	47.012746
"226268"	349.15874	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+3H2O+2H"	56.04448
"1515425"	382.20129	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+IsoProp+H"	61.06479
"416205"	352.112688	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+Na+K"	61.952376
"780480"	512.680938	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+Na+K"	61.952376
"1668062"	191.544438	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Na+K"	61.952376
"253489"	706.288768	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+ACN+Na"	64.015768
"1233853"	385.152268	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+ACN+Na"	64.015768
"1721644"	385.175793	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+NH4+HCOOH"	64.039293
"1184812"	130.034718	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+3Na"	68.967654
"1660170"	390.131188	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Na+HCOOH"	68.994688
"161564"	719.19204	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+2K-H"	76.91904
"603310"	1040.32854	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+2K-H"	76.91904
"1090010"	398.05554	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2K-H"	76.91904
"146828"	360.099658	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"2M+2K"	77.926316
"586388"	520.667908	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"3M+2K"	77.926316
"1077462"	199.531408	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2K"	77.926316
"1104109"	400.070092	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2K+H"	78.933592
"1339400"	400.157707	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+DMSO+H"	79.021207
"1009022"	404.196876	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2ACN+H"	83.060376
"1528239"	405.190508	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+IsoProp+Na+H"	84.054008
"994697"	202.602076	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+2ACN+2H"	84.067652
"1591389"	406.105128	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+K+HCOOH"	84.968628
"1415951"	436.136638	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+H+CF3COOH"	115.000138
"1150619"	223.115351	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+3ACN+2H"	125.094202
"1701265"	453.163185	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+NH4+CF3COOH"	132.026685
"1647851"	458.11858	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+Na+CF3COOH"	136.98208
"1579128"	474.09252	"C10632"	"Acronycine;Acronine"	"C20H19NO3"	"321.1365"	"M+K+CF3COOH"	152.95602
"811684"	394.1053	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M"	0
"989433"	375.08691	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-H2O-H"	-19.01839
"76746"	261.729590666667	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M-3H"	-3.021828
"515940"	393.098024	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M-3H"	-3.021828
"884269"	130.361157333333	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-3H"	-3.021828
"2843"	393.098024	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M-2H"	-2.014552
"443497"	590.150674	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M-2H"	-2.014552
"821300"	196.045374	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-2H"	-2.014552
"84572"	787.203324	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M-H"	-1.007276
"524132"	1181.308624	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M-H"	-1.007276
"907398"	393.098024	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-H"	-1.007276
"54120"	804.229871	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M-2H+NH4"	16.019271
"496961"	1198.335171	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M-2H+NH4"	16.019271
"874761"	410.124571	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-2H+NH4"	16.019271
"42664"	809.185266	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M-2H+Na"	20.974666
"483318"	1203.290566	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M-2H+Na"	20.974666
"863674"	415.079966	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-2H+Na"	20.974666
"1633452"	415.079966	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Na-2H"	20.974666
"109948"	411.086363	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M-H+Cl"	33.962126
"548203"	608.139013	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M-H+Cl"	33.962126
"932604"	214.033713	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-H+Cl"	33.962126
"274444"	823.180002	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+Cl"	34.969402
"671242"	1217.285302	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+Cl"	34.969402
"1281456"	429.074702	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Cl"	34.969402
"25107"	825.159206	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M-2H+K"	36.948606
"467949"	1219.264506	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M-2H+K"	36.948606
"843564"	431.053906	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-2H+K"	36.948606
"1567780"	431.053906	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+K-2H"	36.948606
"957119"	439.103494	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-H+HCOOH"	44.998194
"368773"	833.208801	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+HCOOH-H"	44.998201
"351565"	847.224451	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+Hac-H"	59.013851
"1497115"	453.119151	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Hac-H"	59.013851
"970129"	461.085451	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-H+NaCOOH"	66.980151
"120129"	429.074702	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+2Cl"	69.938804
"562972"	626.127352	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+2Cl"	69.938804
"1035051"	232.022052	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2Cl"	69.938804
"1254631"	473.024185	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Br"	78.918885
"1317080"	475.080172	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Cl+HCOOH"	80.974872
"1334829"	497.062129	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Cl+NaCOOH"	102.956829
"926496"	507.090886	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M-H+CF3COOH"	112.985586
"1303651"	543.067564	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Cl+CF3COOH"	148.962264
"1382094"	359.092624	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H-2H2O"	-35.012676
"1398332"	377.1026	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H-H2O"	-17.0027
"296964"	789.217876	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+H"	1.007276
"687923"	1183.323176	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+H"	1.007276
"1356621"	395.112576	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H"	1.007276
"136803"	395.112576	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+2H"	2.014552
"576364"	592.165226	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+2H"	2.014552
"1047715"	198.059926	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2H"	2.014552
"209055"	263.744142666667	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+3H"	3.021828
"652989"	395.112576	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+3H"	3.021828
"1167835"	132.375709333333	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+3H"	3.021828
"431106"	806.244423	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+NH4"	18.033823
"795382"	1200.349723	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+NH4"	18.033823
"1687339"	412.139123	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+NH4"	18.033823
"336712"	403.6258495	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+H+NH4"	19.041099
"730230"	600.6784995	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+H+NH4"	19.041099
"1484049"	206.5731995	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H+NH4"	19.041099
"403822"	811.199818	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+Na"	22.989218
"760443"	1205.305118	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+Na"	22.989218
"1611826"	417.094518	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Na"	22.989218
"328425"	406.103547	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+H+Na"	23.996494
"715377"	603.156197	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+H+Na"	23.996494
"1476618"	209.050897	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H+Na"	23.996494
"1067555"	139.703023333333	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2H+Na"	25.00377
"1267408"	427.138786	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+CH3OH+H"	33.033486
"383795"	827.173758	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+K"	38.963158
"745884"	1221.279058	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+K"	38.963158
"1546843"	433.068458	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+K"	38.963158
"306208"	414.090517	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+H+K"	39.970434
"700813"	611.143167	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+H+K"	39.970434
"1450262"	217.037867	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H+K"	39.970434
"242143"	830.244426	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+ACN+H"	42.033826
"1217038"	436.139126	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+ACN+H"	42.033826
"1200921"	218.573201	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+ACN+2H"	43.041102
"201446"	833.18176	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+2Na-H"	44.97116
"637726"	1227.28706	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+2Na-H"	44.97116
"1135036"	439.07646	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2Na-H"	44.97116
"175413"	417.094518	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+2Na"	45.978436
"616436"	614.147168	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+2Na"	45.978436
"1125414"	220.041868	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2Na"	45.978436
"1410031"	147.030337333333	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H+2Na"	46.985712
"1430847"	441.118046	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H+HCOOH"	47.012746
"223097"	422.12754	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+3H2O+2H"	56.04448
"1510427"	455.17009	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+IsoProp+H"	61.06479
"410480"	425.081488	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+Na+K"	61.952376
"780590"	622.134138	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+Na+K"	61.952376
"1669265"	228.028838	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Na+K"	61.952376
"256878"	852.226368	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+ACN+Na"	64.015768
"1233963"	458.121068	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+ACN+Na"	64.015768
"1722847"	458.144593	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+NH4+HCOOH"	64.039293
"1191482"	154.357651333333	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+3Na"	68.967654
"1659186"	463.099988	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Na+HCOOH"	68.994688
"167141"	865.12964	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+2K-H"	76.91904
"607794"	1259.23494	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+2K-H"	76.91904
"1092308"	471.02434	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2K-H"	76.91904
"146938"	433.068458	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"2M+2K"	77.926316
"590873"	630.121108	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"3M+2K"	77.926316
"1073199"	236.015808	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2K"	77.926316
"1106408"	473.038892	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2K+H"	78.933592
"1340603"	473.126507	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+DMSO+H"	79.021207
"1013508"	477.165676	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2ACN+H"	83.060376
"1530540"	478.159308	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+IsoProp+Na+H"	84.054008
"994807"	239.086476	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+2ACN+2H"	84.067652
"1590407"	479.073928	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+K+HCOOH"	84.968628
"1424818"	509.105438	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+H+CF3COOH"	115.000138
"1159480"	259.599751	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+3ACN+2H"	125.094202
"1710125"	526.131985	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+NH4+CF3COOH"	132.026685
"1644681"	531.08738	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+Na+CF3COOH"	136.98208
"1585799"	547.06132	"C10633"	"Justicidin A"	"C22H18O7"	"394.1053"	"M+K+CF3COOH"	152.95602
"816537"	283.1208	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M"	0
"989221"	264.10241	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-H2O-H"	-19.01839
"78267"	187.739924	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M-3H"	-3.021828
"516415"	282.113524	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M-3H"	-3.021828
"893854"	93.366324	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-3H"	-3.021828
"10607"	282.113524	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M-2H"	-2.014552
"444701"	423.673924	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M-2H"	-2.014552
"821411"	140.553124	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-2H"	-2.014552
"89056"	565.234324	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M-H"	-1.007276
"524241"	848.355124	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M-H"	-1.007276
"907511"	282.113524	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-H"	-1.007276
"53140"	582.260871	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M-2H+NH4"	16.019271
"490146"	865.381671	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M-2H+NH4"	16.019271
"877670"	299.140071	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-2H+NH4"	16.019271
"42411"	587.216266	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M-2H+Na"	20.974666
"480148"	870.337066	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M-2H+Na"	20.974666
"857953"	304.095466	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-2H+Na"	20.974666
"1630768"	304.095466	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Na-2H"	20.974666
"108389"	300.101863	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M-H+Cl"	33.962126
"542482"	441.662263	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M-H+Cl"	33.962126
"933811"	158.541463	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-H+Cl"	33.962126
"274555"	601.211002	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+Cl"	34.969402
"673541"	884.331802	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+Cl"	34.969402
"1284849"	318.090202	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Cl"	34.969402
"25220"	603.190206	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M-2H+K"	36.948606
"470248"	886.311006	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M-2H+K"	36.948606
"841484"	320.069406	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-2H+K"	36.948606
"1566066"	320.069406	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+K-2H"	36.948606
"950666"	328.118994	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-H+HCOOH"	44.998194
"371069"	611.239801	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+HCOOH-H"	44.998201
"356049"	625.255451	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+Hac-H"	59.013851
"1499048"	342.134651	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Hac-H"	59.013851
"969146"	350.100951	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-H+NaCOOH"	66.980151
"118782"	318.090202	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+2Cl"	69.938804
"564054"	459.650602	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+2Cl"	69.938804
"1034067"	176.529802	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2Cl"	69.938804
"1253647"	362.039685	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Br"	78.918885
"1317190"	364.095672	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Cl+HCOOH"	80.974872
"1335427"	386.077629	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Cl+NaCOOH"	102.956829
"926960"	396.106386	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M-H+CF3COOH"	112.985586
"1304007"	432.083064	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Cl+CF3COOH"	148.962264
"1382326"	248.108124	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H-2H2O"	-35.012676
"1397388"	266.1181	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H-H2O"	-17.0027
"297803"	567.248876	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+H"	1.007276
"684754"	850.369676	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+H"	1.007276
"1358918"	284.128076	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H"	1.007276
"133996"	284.128076	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+2H"	2.014552
"575746"	425.688476	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+2H"	2.014552
"1044545"	142.567676	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2H"	2.014552
"209165"	189.754476	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+3H"	3.021828
"652006"	284.128076	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+3H"	3.021828
"1170132"	95.380876	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+3H"	3.021828
"427933"	584.275423	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+NH4"	18.033823
"791118"	867.396223	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+NH4"	18.033823
"1687448"	301.154623	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+NH4"	18.033823
"336822"	292.6413495	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+H+NH4"	19.041099
"730337"	434.2017495	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+H+NH4"	19.041099
"1484158"	151.0809495	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H+NH4"	19.041099
"402840"	589.230818	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+Na"	22.989218
"763833"	872.351618	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+Na"	22.989218
"1610843"	306.110018	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Na"	22.989218
"328535"	295.119047	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+H+Na"	23.996494
"712208"	436.679447	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+H+Na"	23.996494
"1475512"	153.558647	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H+Na"	23.996494
"1065841"	102.70819	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2H+Na"	25.00377
"1262050"	316.154286	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+CH3OH+H"	33.033486
"380989"	605.204758	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+K"	38.963158
"749276"	888.325558	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+K"	38.963158
"1544036"	322.083958	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+K"	38.963158
"306316"	303.106017	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+H+K"	39.970434
"699832"	444.666417	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+H+K"	39.970434
"1448548"	161.545617	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H+K"	39.970434
"240067"	608.275426	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+ACN+H"	42.033826
"1217148"	325.154626	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+ACN+H"	42.033826
"1198845"	163.080951	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+ACN+2H"	43.041102
"191716"	611.21276	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+2Na-H"	44.97116
"635650"	894.33356	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+2Na-H"	44.97116
"1133686"	328.09196	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2Na-H"	44.97116
"175161"	306.110018	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+2Na"	45.978436
"615453"	447.670418	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+2Na"	45.978436
"1122244"	164.549618	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2Na"	45.978436
"1411234"	110.035504	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H+2Na"	46.985712
"1431687"	330.133546	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H+HCOOH"	47.012746
"223208"	311.14304	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+3H2O+2H"	56.04448
"1516738"	344.18559	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+IsoProp+H"	61.06479
"416426"	314.096988	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+Na+K"	61.952376
"777420"	455.657388	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+Na+K"	61.952376
"1674844"	172.536588	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Na+K"	61.952376
"262458"	630.257368	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+ACN+Na"	64.015768
"1235167"	347.136568	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+ACN+Na"	64.015768
"1725145"	347.160093	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+NH4+HCOOH"	64.039293
"1191592"	117.362818	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+3Na"	68.967654
"1659298"	352.115488	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Na+HCOOH"	68.994688
"168345"	643.16064	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+2K-H"	76.91904
"602436"	926.28144	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+2K-H"	76.91904
"1091325"	360.03984	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2K-H"	76.91904
"147049"	322.083958	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"2M+2K"	77.926316
"590983"	463.644358	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"3M+2K"	77.926316
"1073310"	180.523558	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2K"	77.926316
"1109799"	362.054392	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2K+H"	78.933592
"1343995"	362.142007	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+DMSO+H"	79.021207
"1010337"	366.181176	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2ACN+H"	83.060376
"1527370"	367.174808	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+IsoProp+Na+H"	84.054008
"996013"	183.594226	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+2ACN+2H"	84.067652
"1599265"	368.089428	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+K+HCOOH"	84.968628
"1429181"	398.120938	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+H+CF3COOH"	115.000138
"1159590"	204.107501	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+3ACN+2H"	125.094202
"1711329"	415.147485	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+NH4+CF3COOH"	132.026685
"1649410"	420.10288	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+Na+CF3COOH"	136.98208
"1585909"	436.07682	"C10634"	"Acrophylline"	"C17H17NO3"	"283.1208"	"M+K+CF3COOH"	152.95602
"806437"	351.1583	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M"	0
"986533"	332.13991	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-H2O-H"	-19.01839
"68213"	233.098257333333	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M-3H"	-3.021828
"514339"	350.151024	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M-3H"	-3.021828
"889955"	116.045490666667	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-3H"	-3.021828
"3063"	350.151024	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M-2H"	-2.014552
"449184"	525.730174	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M-2H"	-2.014552
"820792"	174.571874	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-2H"	-2.014552
"89165"	701.309324	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M-H"	-1.007276
"526538"	1052.467624	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M-H"	-1.007276
"901062"	350.151024	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-H"	-1.007276
"54343"	718.335871	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M-2H+NH4"	16.019271
"488799"	1069.494171	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M-2H+NH4"	16.019271
"874985"	367.177571	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-2H+NH4"	16.019271
"39605"	723.291266	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M-2H+Na"	20.974666
"482446"	1074.449566	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M-2H+Na"	20.974666
"855877"	372.132966	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-2H+Na"	20.974666
"1631972"	372.132966	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Na-2H"	20.974666
"105219"	368.139363	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M-H+Cl"	33.962126
"540404"	543.718513	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M-H+Cl"	33.962126
"930641"	192.560213	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-H+Cl"	33.962126
"276852"	737.286002	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+Cl"	34.969402
"671464"	1088.444302	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+Cl"	34.969402
"1283867"	386.127702	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Cl"	34.969402
"25330"	739.265206	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M-2H+K"	36.948606
"470358"	1090.423506	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M-2H+K"	36.948606
"846339"	388.106906	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-2H+K"	36.948606
"1567273"	388.106906	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+K-2H"	36.948606
"946402"	396.156494	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-H+HCOOH"	44.998194
"367900"	747.314801	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+HCOOH-H"	44.998201
"350691"	761.330451	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+Hac-H"	59.013851
"1497336"	410.172151	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Hac-H"	59.013851
"968890"	418.138451	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-H+NaCOOH"	66.980151
"122172"	386.127702	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+2Cl"	69.938804
"564164"	561.706852	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+2Cl"	69.938804
"1033082"	210.548552	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2Cl"	69.938804
"1253757"	430.077185	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Br"	78.918885
"1319127"	432.133172	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Cl+HCOOH"	80.974872
"1335581"	454.115129	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Cl+NaCOOH"	102.956829
"926948"	464.143886	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M-H+CF3COOH"	112.985586
"1304062"	500.120564	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Cl+CF3COOH"	148.962264
"1382642"	316.145624	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H-2H2O"	-35.012676
"1393849"	334.1556	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H-H2O"	-17.0027
"297549"	703.323876	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+H"	1.007276
"688145"	1054.482176	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+H"	1.007276
"1361215"	352.165576	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H"	1.007276
"134106"	352.165576	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+2H"	2.014552
"570386"	527.744726	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+2H"	2.014552
"1043562"	176.586426	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2H"	2.014552
"208182"	235.112809333333	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+3H"	3.021828
"651023"	352.165576	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+3H"	3.021828
"1166962"	118.060042666667	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+3H"	3.021828
"430235"	720.350423	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+NH4"	18.033823
"787949"	1071.508723	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+NH4"	18.033823
"1688654"	369.192123	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+NH4"	18.033823
"339119"	360.6788495	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+H+NH4"	19.041099
"730449"	536.2579995	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+H+NH4"	19.041099
"1486456"	185.0996995	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H+NH4"	19.041099
"398575"	725.305818	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+Na"	22.989218
"763943"	1076.464118	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+Na"	22.989218
"1610953"	374.147518	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Na"	22.989218
"327552"	363.156547	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+H+Na"	23.996494
"713411"	538.735697	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+H+Na"	23.996494
"1476843"	187.577397	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H+Na"	23.996494
"1068017"	125.387356666667	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2H+Na"	25.00377
"1268722"	384.191786	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+CH3OH+H"	33.033486
"386203"	741.279758	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+K"	38.963158
"747200"	1092.438058	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+K"	38.963158
"1543054"	390.121458	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+K"	38.963158
"304241"	371.143517	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+H+K"	39.970434
"695569"	546.722667	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+H+K"	39.970434
"1450480"	195.564367	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H+K"	39.970434
"236898"	744.350426	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+ACN+H"	42.033826
"1212517"	393.192126	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+ACN+H"	42.033826
"1194943"	197.099701	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+ACN+2H"	43.041102
"190367"	747.28776	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+2Na-H"	44.97116
"640134"	1098.44606	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+2Na-H"	44.97116
"1132704"	396.12946	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2Na-H"	44.97116
"173570"	374.147518	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+2Na"	45.978436
"613131"	549.726668	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+2Na"	45.978436
"1125635"	198.568368	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2Na"	45.978436
"1405150"	132.714670666667	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H+2Na"	46.985712
"1439088"	398.171046	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H+HCOOH"	47.012746
"226598"	379.18054	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+3H2O+2H"	56.04448
"1519036"	412.22309	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+IsoProp+H"	61.06479
"416536"	382.134488	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+Na+K"	61.952376
"779718"	557.713638	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+Na+K"	61.952376
"1679695"	206.555338	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Na+K"	61.952376
"262568"	766.332368	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+ACN+Na"	64.015768
"1238557"	415.174068	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+ACN+Na"	64.015768
"1727080"	415.197593	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+NH4+HCOOH"	64.039293
"1187330"	140.041984666667	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+3Na"	68.967654
"1665515"	420.152988	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Na+HCOOH"	68.994688
"170642"	779.23564	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+2K-H"	76.91904
"606921"	1130.39394	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+2K-H"	76.91904
"1091435"	428.07734	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2K-H"	76.91904
"147158"	390.121458	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"2M+2K"	77.926316
"588905"	565.700608	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"3M+2K"	77.926316
"1075605"	214.542308	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2K"	77.926316
"1108815"	430.091892	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2K+H"	78.933592
"1341918"	430.179507	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+DMSO+H"	79.021207
"1012634"	434.218676	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2ACN+H"	83.060376
"1527480"	435.212308	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+IsoProp+Na+H"	84.054008
"993936"	217.612976	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+2ACN+2H"	84.067652
"1596096"	436.126928	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+K+HCOOH"	84.968628
"1427226"	466.158438	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+H+CF3COOH"	115.000138
"1159700"	238.126251	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+3ACN+2H"	125.094202
"1710346"	483.184985	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+NH4+CF3COOH"	132.026685
"1647089"	488.14038	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+Na+CF3COOH"	136.98208
"1586019"	504.11432	"C10635"	"Aniflorine"	"C20H21N3O3"	"351.1583"	"M+K+CF3COOH"	152.95602
"806546"	364.0947	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M"	0
"987737"	345.07631	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-H2O-H"	-19.01839
"67230"	241.722524	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M-3H"	-3.021828
"515539"	363.087424	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M-3H"	-3.021828
"888971"	120.357624	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-3H"	-3.021828
"6453"	363.087424	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M-2H"	-2.014552
"447108"	545.134774	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M-2H"	-2.014552
"821995"	181.040074	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-2H"	-2.014552
"89275"	727.182124	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M-H"	-1.007276
"526648"	1091.276824	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M-H"	-1.007276
"902265"	363.087424	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-H"	-1.007276
"54453"	744.208671	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M-2H+NH4"	16.019271
"488545"	1108.303371	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M-2H+NH4"	16.019271
"877040"	380.113971	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-2H+NH4"	16.019271
"42631"	749.164066	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M-2H+Na"	20.974666
"482556"	1113.258766	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M-2H+Na"	20.974666
"852707"	385.069366	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-2H+Na"	20.974666
"1630988"	385.069366	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Na-2H"	20.974666
"103142"	381.075763	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M-H+Cl"	33.962126
"539421"	563.123113	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M-H+Cl"	33.962126
"929656"	199.028413	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-H+Cl"	33.962126
"272588"	763.158802	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+Cl"	34.969402
"673758"	1127.253502	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+Cl"	34.969402
"1281790"	399.064102	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Cl"	34.969402
"25440"	765.138006	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M-2H+K"	36.948606
"468280"	1129.232706	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M-2H+K"	36.948606
"845355"	401.043306	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-2H+K"	36.948606
"1568477"	401.043306	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+K-2H"	36.948606
"943474"	409.092894	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-H+HCOOH"	44.998194
"368009"	773.187601	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+HCOOH-H"	44.998201
"350801"	787.203251	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+Hac-H"	59.013851
"1496353"	423.108551	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Hac-H"	59.013851
"968271"	431.074851	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-H+NaCOOH"	66.980151
"122282"	399.064102	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+2Cl"	69.938804
"564395"	581.111452	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+2Cl"	69.938804
"1033192"	217.016752	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2Cl"	69.938804
"1252774"	443.013585	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Br"	78.918885
"1319480"	445.069572	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Cl+HCOOH"	80.974872
"1335160"	467.051529	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Cl+NaCOOH"	102.956829
"926663"	477.080286	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M-H+CF3COOH"	112.985586
"1303168"	513.056964	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Cl+CF3COOH"	148.962264
"1382263"	329.082024	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H-2H2O"	-35.012676
"1393595"	347.092	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H-H2O"	-17.0027
"295836"	729.196676	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+H"	1.007276
"685704"	1093.291376	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+H"	1.007276
"1359136"	365.101976	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H"	1.007276
"134216"	365.101976	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+2H"	2.014552
"571587"	547.149326	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+2H"	2.014552
"1038568"	183.054626	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2H"	2.014552
"205738"	243.737076	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+3H"	3.021828
"645298"	365.101976	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+3H"	3.021828
"1163061"	122.372176	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+3H"	3.021828
"427065"	746.223223	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+NH4"	18.033823
"786600"	1110.317923	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+NH4"	18.033823
"1690951"	382.128523	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+NH4"	18.033823
"333762"	373.6152495	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+H+NH4"	19.041099
"727279"	555.6625995	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+H+NH4"	19.041099
"1479276"	191.5678995	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H+NH4"	19.041099
"393218"	751.178618	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+Na"	22.989218
"755306"	1115.273318	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+Na"	22.989218
"1604498"	387.083918	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Na"	22.989218
"326569"	376.092947	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+H+Na"	23.996494
"713521"	558.140297	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+H+Na"	23.996494
"1476345"	194.045597	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H+Na"	23.996494
"1067399"	129.69949	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2H+Na"	25.00377
"1268832"	397.128186	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+CH3OH+H"	33.033486
"384126"	767.152558	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+K"	38.963158
"745123"	1131.247258	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+K"	38.963158
"1543163"	403.057858	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+K"	38.963158
"306537"	384.079917	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+H+K"	39.970434
"697865"	566.127267	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+H+K"	39.970434
"1449494"	202.032567	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H+K"	39.970434
"239194"	770.223226	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+ACN+H"	42.033826
"1212263"	406.128526	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+ACN+H"	42.033826
"1195416"	203.567901	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+ACN+2H"	43.041102
"192663"	773.16056	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+2Na-H"	44.97116
"636963"	1137.25526	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+2Na-H"	44.97116
"1131799"	409.06586	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2Na-H"	44.97116
"174651"	387.083918	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+2Na"	45.978436
"616769"	569.131268	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+2Na"	45.978436
"1123559"	205.036568	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2Na"	45.978436
"1407812"	137.026804	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H+2Na"	46.985712
"1438104"	411.107446	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H+HCOOH"	47.012746
"226707"	392.11694	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+3H2O+2H"	56.04448
"1513678"	425.15949	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+IsoProp+H"	61.06479
"413365"	395.070888	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+Na+K"	61.952376
"778734"	577.118238	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+Na+K"	61.952376
"1673971"	213.023538	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Na+K"	61.952376
"260491"	792.205168	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+ACN+Na"	64.015768
"1236478"	428.110468	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+ACN+Na"	64.015768
"1724272"	428.133993	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+NH4+HCOOH"	64.039293
"1190720"	144.354118	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+3Na"	68.967654
"1660613"	433.089388	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Na+HCOOH"	68.994688
"166379"	805.10844	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+2K-H"	76.91904
"605941"	1169.20314	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+2K-H"	76.91904
"1090814"	441.01374	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2K-H"	76.91904
"146902"	403.057858	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"2M+2K"	77.926316
"586828"	585.105208	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"3M+2K"	77.926316
"1074620"	221.010508	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2K"	77.926316
"1103458"	443.028292	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2K+H"	78.933592
"1338747"	443.115907	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+DMSO+H"	79.021207
"1009463"	447.155076	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2ACN+H"	83.060376
"1525039"	448.148708	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+IsoProp+Na+H"	84.054008
"996233"	224.081176	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+2ACN+2H"	84.067652
"1596206"	449.063328	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+K+HCOOH"	84.968628
"1428429"	479.094838	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+H+CF3COOH"	115.000138
"1159810"	244.594451	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+3ACN+2H"	125.094202
"1712648"	496.121385	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+NH4+CF3COOH"	132.026685
"1649386"	501.07678	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+Na+CF3COOH"	136.98208
"1586129"	517.05072	"C10636"	"Justicidin B"	"C21H16O6"	"364.0947"	"M+K+CF3COOH"	152.95602
"806656"	349.1426	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M"	0
"987848"	330.12421	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-H2O-H"	-19.01839
"67340"	231.754457333333	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M-3H"	-3.021828
"515285"	348.135324	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M-3H"	-3.021828
"891267"	115.373590666667	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-3H"	-3.021828
"8750"	348.135324	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M-2H"	-2.014552
"447218"	522.706624	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M-2H"	-2.014552
"823928"	173.564024	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-2H"	-2.014552
"92059"	697.277924	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M-H"	-1.007276
"526759"	1046.420524	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M-H"	-1.007276
"904562"	348.135324	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-H"	-1.007276
"53470"	714.304471	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M-2H+NH4"	16.019271
"490842"	1063.447071	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M-2H+NH4"	16.019271
"876178"	365.161871	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-2H+NH4"	16.019271
"43105"	719.259866	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M-2H+Na"	20.974666
"483762"	1068.402466	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M-2H+Na"	20.974666
"857192"	370.117266	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-2H+Na"	20.974666
"1627818"	370.117266	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Na-2H"	20.974666
"101066"	366.123663	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M-H+Cl"	33.962126
"539531"	540.694963	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M-H+Cl"	33.962126
"927579"	191.552363	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-H+Cl"	33.962126
"272698"	733.254602	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+Cl"	34.969402
"673141"	1082.397202	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+Cl"	34.969402
"1279713"	384.112002	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Cl"	34.969402
"25550"	735.233806	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M-2H+K"	36.948606
"468028"	1084.376406	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M-2H+K"	36.948606
"845465"	386.091206	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-2H+K"	36.948606
"1569315"	386.091206	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+K-2H"	36.948606
"943135"	394.140794	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-H+HCOOH"	44.998194
"368122"	743.283401	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+HCOOH-H"	44.998201
"349819"	757.299051	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+Hac-H"	59.013851
"1500838"	408.156451	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Hac-H"	59.013851
"968380"	416.122751	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-H+NaCOOH"	66.980151
"118381"	384.112002	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+2Cl"	69.938804
"563413"	558.683302	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+2Cl"	69.938804
"1034396"	209.540702	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2Cl"	69.938804
"1252884"	428.061485	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Br"	78.918885
"1318255"	430.117472	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Cl+HCOOH"	80.974872
"1335228"	452.099429	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Cl+NaCOOH"	102.956829
"926327"	462.128186	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M-H+CF3COOH"	112.985586
"1303848"	498.104864	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Cl+CF3COOH"	148.962264
"1382296"	314.129924	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H-2H2O"	-35.012676
"1394071"	332.1399	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H-H2O"	-17.0027
"295217"	699.292476	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+H"	1.007276
"690678"	1048.435076	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+H"	1.007276
"1362894"	350.149876	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H"	1.007276
"132139"	350.149876	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+2H"	2.014552
"571698"	524.721176	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+2H"	2.014552
"1039769"	175.578576	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2H"	2.014552
"206213"	233.769009333333	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+3H"	3.021828
"645409"	350.149876	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+3H"	3.021828
"1164990"	117.388142666667	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+3H"	3.021828
"430455"	716.319023	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+NH4"	18.033823
"788533"	1065.461623	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+NH4"	18.033823
"1685594"	367.176423	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+NH4"	18.033823
"333142"	358.6631495	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+H+NH4"	19.041099
"727389"	533.2344495	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+H+NH4"	19.041099
"1478048"	184.0918495	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H+NH4"	19.041099
"394054"	721.274418	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+Na"	22.989218
"757604"	1070.417018	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+Na"	22.989218
"1608983"	372.131818	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Na"	22.989218
"321210"	361.140847	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+H+Na"	23.996494
"713631"	535.712147	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+H+Na"	23.996494
"1476815"	186.569547	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H+Na"	23.996494
"1065077"	124.715456666667	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2H+Na"	25.00377
"1267848"	382.176086	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+CH3OH+H"	33.033486
"383143"	737.248358	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+K"	38.963158
"744140"	1086.390958	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+K"	38.963158
"1542180"	388.105758	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+K"	38.963158
"303731"	369.127817	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+H+K"	39.970434
"700163"	543.699117	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+H+K"	39.970434
"1449972"	194.556517	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H+K"	39.970434
"239302"	740.319026	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+ACN+H"	42.033826
"1212375"	391.176426	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+ACN+H"	42.033826
"1198810"	196.091851	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+ACN+2H"	43.041102
"191678"	743.25636	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+2Na-H"	44.97116
"633792"	1092.39896	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+2Na-H"	44.97116
"1131953"	394.11376	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2Na-H"	44.97116
"175493"	372.131818	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+2Na"	45.978436
"616879"	546.703118	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+2Na"	45.978436
"1126950"	197.560518	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2Na"	45.978436
"1409379"	132.042770666667	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H+2Na"	46.985712
"1441130"	396.155346	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H+HCOOH"	47.012746
"226817"	377.16484	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+3H2O+2H"	56.04448
"1518526"	410.20739	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+IsoProp+H"	61.06479
"413475"	380.118788	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+Na+K"	61.952376
"781032"	554.690088	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+Na+K"	61.952376
"1674081"	205.547488	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Na+K"	61.952376
"260601"	762.300968	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+ACN+Na"	64.015768
"1236590"	413.158368	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+ACN+Na"	64.015768
"1723655"	413.181893	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+NH4+HCOOH"	64.039293
"1190829"	139.370084666667	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+3Na"	68.967654
"1660723"	418.137288	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Na+HCOOH"	68.994688
"168675"	775.20424	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+2K-H"	76.91904
"606051"	1124.34684	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+2K-H"	76.91904
"1090560"	426.06164	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2K-H"	76.91904
"147742"	388.105758	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"2M+2K"	77.926316
"588031"	562.677058	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"3M+2K"	77.926316
"1080199"	213.534458	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2K"	77.926316
"1103568"	428.076192	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2K+H"	78.933592
"1339951"	428.163807	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+DMSO+H"	79.021207
"1010667"	432.202976	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2ACN+H"	83.060376
"1530982"	433.196608	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+IsoProp+Na+H"	84.054008
"994156"	216.605126	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+2ACN+2H"	84.067652
"1590847"	434.111228	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+K+HCOOH"	84.968628
"1421978"	464.142738	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+H+CF3COOH"	115.000138
"1159920"	237.118401	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+3ACN+2H"	125.094202
"1708378"	481.169285	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+NH4+CF3COOH"	132.026685
"1644028"	486.12468	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+Na+CF3COOH"	136.98208
"1586239"	502.09862	"C10637"	"Anisessine"	"C20H19N3O3"	"349.1426"	"M+K+CF3COOH"	152.95602
"806766"	356.1624	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M"	0
"989051"	337.14401	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-H2O-H"	-19.01839
"70729"	236.434324	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M-3H"	-3.021828
"510291"	355.155124	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M-3H"	-3.021828
"889191"	117.713524	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-3H"	-3.021828
"4486"	355.155124	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M-2H"	-2.014552
"447327"	533.236324	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M-2H"	-2.014552
"824038"	177.073924	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-2H"	-2.014552
"86215"	711.317524	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M-H"	-1.007276
"527962"	1067.479924	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M-H"	-1.007276
"904672"	355.155124	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-H"	-1.007276
"54672"	728.344071	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M-2H+NH4"	16.019271
"490952"	1084.506471	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M-2H+NH4"	16.019271
"872034"	372.181671	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-2H+NH4"	16.019271
"43215"	733.299466	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M-2H+Na"	20.974666
"482776"	1089.461866	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M-2H+Na"	20.974666
"854021"	377.137066	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-2H+Na"	20.974666
"1627928"	377.137066	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Na-2H"	20.974666
"102269"	373.143463	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M-H+Cl"	33.962126
"540735"	551.224663	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M-H+Cl"	33.962126
"927689"	195.062263	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-H+Cl"	33.962126
"276088"	747.294202	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+Cl"	34.969402
"673978"	1103.456602	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+Cl"	34.969402
"1279822"	391.131802	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Cl"	34.969402
"27846"	749.273406	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M-2H+K"	36.948606
"469231"	1105.435806	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M-2H+K"	36.948606
"846668"	393.111006	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-2H+K"	36.948606
"1566509"	393.111006	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+K-2H"	36.948606
"945639"	401.160594	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-H+HCOOH"	44.998194
"366044"	757.323001	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+HCOOH-H"	44.998201
"351022"	771.338651	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+Hac-H"	59.013851
"1504229"	415.176251	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Hac-H"	59.013851
"967397"	423.142551	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-H+NaCOOH"	66.980151
"118491"	391.131802	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+2Cl"	69.938804
"563160"	569.213002	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+2Cl"	69.938804
"1034506"	213.050602	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2Cl"	69.938804
"1253728"	435.081285	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Br"	78.918885
"1319094"	437.137272	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Cl+HCOOH"	80.974872
"1335216"	459.119229	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Cl+NaCOOH"	102.956829
"926519"	469.147986	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M-H+CF3COOH"	112.985586
"1304166"	505.124664	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Cl+CF3COOH"	148.962264
"1382163"	321.149724	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H-2H2O"	-35.012676
"1391630"	339.1597	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H-H2O"	-17.0027
"293869"	713.332076	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+H"	1.007276
"688842"	1069.494476	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+H"	1.007276
"1359357"	357.169676	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H"	1.007276
"131885"	357.169676	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+2H"	2.014552
"571808"	535.250876	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+2H"	2.014552
"1039150"	179.088476	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2H"	2.014552
"205958"	238.448876	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+3H"	3.021828
"644425"	357.169676	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+3H"	3.021828
"1163766"	119.728076	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+3H"	3.021828
"427285"	730.358623	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+NH4"	18.033823
"788279"	1086.521023	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+NH4"	18.033823
"1684611"	374.196223	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+NH4"	18.033823
"331065"	365.6829495	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+H+NH4"	19.041099
"727500"	543.7641495	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+H+NH4"	19.041099
"1478157"	187.6017495	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H+NH4"	19.041099
"394165"	735.314018	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+Na"	22.989218
"754919"	1091.476418	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+Na"	22.989218
"1605813"	379.151618	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Na"	22.989218
"323506"	368.160647	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+H+Na"	23.996494
"715927"	546.241847	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+H+Na"	23.996494
"1475222"	190.079447	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H+Na"	23.996494
"1066280"	127.05539	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2H+Na"	25.00377
"1265772"	389.195886	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+CH3OH+H"	33.033486
"383253"	751.287958	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+K"	38.963158
"745343"	1107.450358	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+K"	38.963158
"1545209"	395.125558	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+K"	38.963158
"301655"	376.147617	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+H+K"	39.970434
"700273"	554.228817	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+H+K"	39.970434
"1447529"	198.066417	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H+K"	39.970434
"239779"	754.358626	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+ACN+H"	42.033826
"1212485"	398.196226	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+ACN+H"	42.033826
"1196366"	199.601751	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+ACN+2H"	43.041102
"192519"	757.29596	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+2Na-H"	44.97116
"631349"	1113.45836	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+2Na-H"	44.97116
"1132183"	401.13356	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2Na-H"	44.97116
"174510"	379.151618	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+2Na"	45.978436
"620268"	557.232818	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+2Na"	45.978436
"1123777"	201.070418	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2Na"	45.978436
"1407666"	134.382704	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H+2Na"	46.985712
"1433949"	403.175146	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H+HCOOH"	47.012746
"226927"	384.18464	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+3H2O+2H"	56.04448
"1513898"	417.22719	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+IsoProp+H"	61.06479
"420146"	387.138588	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+Na+K"	61.952376
"776763"	565.219788	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+Na+K"	61.952376
"1673827"	209.057388	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Na+K"	61.952376
"258890"	776.340568	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+ACN+Na"	64.015768
"1236702"	420.178168	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+ACN+Na"	64.015768
"1723765"	420.201693	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+NH4+HCOOH"	64.039293
"1189118"	141.710018	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+3Na"	68.967654
"1660834"	425.157088	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Na+HCOOH"	68.994688
"168788"	789.24384	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+2K-H"	76.91904
"603974"	1145.40624	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+2K-H"	76.91904
"1091767"	433.08144	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2K-H"	76.91904
"148581"	395.125558	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"2M+2K"	77.926316
"588141"	573.206758	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"3M+2K"	77.926316
"1081402"	217.044358	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2K"	77.926316
"1104771"	435.095992	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2K+H"	78.933592
"1342249"	435.183607	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+DMSO+H"	79.021207
"1011869"	439.222776	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2ACN+H"	83.060376
"1531091"	440.216408	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+IsoProp+Na+H"	84.054008
"992080"	220.115026	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+2ACN+2H"	84.067652
"1590957"	441.131028	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+K+HCOOH"	84.968628
"1423181"	471.162538	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+H+CF3COOH"	115.000138
"1161853"	240.628301	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+3ACN+2H"	125.094202
"1707395"	488.189085	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+NH4+CF3COOH"	132.026685
"1641951"	493.14448	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+Na+CF3COOH"	136.98208
"1586349"	509.11842	"C10638"	"Kadsurenone"	"C21H24O5"	"356.1624"	"M+K+CF3COOH"	152.95602
"806876"	349.1426	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M"	0
"987703"	330.12421	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-H2O-H"	-19.01839
"67560"	231.754457333333	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M-3H"	-3.021828
"511494"	348.135324	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M-3H"	-3.021828
"890394"	115.373590666667	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-3H"	-3.021828
"3503"	348.135324	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M-2H"	-2.014552
"446343"	522.706624	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M-2H"	-2.014552
"824148"	173.564024	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-2H"	-2.014552
"86325"	697.277924	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M-H"	-1.007276
"526979"	1046.420524	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M-H"	-1.007276
"904782"	348.135324	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-H"	-1.007276
"53689"	714.304471	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M-2H+NH4"	16.019271
"491062"	1063.447071	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M-2H+NH4"	16.019271
"872144"	365.161871	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-2H+NH4"	16.019271
"43325"	719.259866	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M-2H+Na"	20.974666
"481793"	1068.402466	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M-2H+Na"	20.974666
"857411"	370.117266	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-2H+Na"	20.974666
"1624757"	370.117266	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Na-2H"	20.974666
"104566"	366.123663	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M-H+Cl"	33.962126
"543031"	540.694963	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M-H+Cl"	33.962126
"931080"	191.552363	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-H+Cl"	33.962126
"272918"	733.254602	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+Cl"	34.969402
"666434"	1082.397202	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+Cl"	34.969402
"1279932"	384.112002	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Cl"	34.969402
"25769"	735.233806	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M-2H+K"	36.948606
"468610"	1084.376406	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M-2H+K"	36.948606
"835477"	386.091206	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-2H+K"	36.948606
"1562244"	386.091206	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+K-2H"	36.948606
"949033"	394.140794	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-H+HCOOH"	44.998194
"370528"	743.283401	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+HCOOH-H"	44.998201
"355503"	757.299051	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+Hac-H"	59.013851
"1504339"	408.156451	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Hac-H"	59.013851
"966414"	416.122751	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-H+NaCOOH"	66.980151
"118601"	384.112002	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+2Cl"	69.938804
"563635"	558.683302	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+2Cl"	69.938804
"1035709"	209.540702	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2Cl"	69.938804
"1253838"	428.061485	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Br"	78.918885
"1319568"	430.117472	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Cl+HCOOH"	80.974872
"1334637"	452.099429	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Cl+NaCOOH"	102.956829
"926791"	462.128186	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M-H+CF3COOH"	112.985586
"1303012"	498.104864	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Cl+CF3COOH"	148.962264
"1382269"	314.129924	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H-2H2O"	-35.012676
"1393196"	332.1399	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H-H2O"	-17.0027
"293612"	699.292476	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+H"	1.007276
"690290"	1048.435076	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+H"	1.007276
"1359467"	350.149876	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H"	1.007276
"131266"	350.149876	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+2H"	2.014552
"571919"	524.721176	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+2H"	2.014552
"1038532"	175.578576	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2H"	2.014552
"207527"	233.769009333333	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+3H"	3.021828
"645996"	350.149876	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+3H"	3.021828
"1163756"	117.388142666667	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+3H"	3.021828
"424518"	716.319023	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+NH4"	18.033823
"788389"	1065.461623	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+NH4"	18.033823
"1684721"	367.176423	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+NH4"	18.033823
"330487"	358.6631495	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+H+NH4"	19.041099
"727610"	533.2344495	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+H+NH4"	19.041099
"1479242"	184.0918495	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H+NH4"	19.041099
"394641"	721.274418	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+Na"	22.989218
"757824"	1070.417018	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+Na"	22.989218
"1605923"	372.131818	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Na"	22.989218
"323616"	361.140847	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+H+Na"	23.996494
"717130"	535.712147	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+H+Na"	23.996494
"1475332"	186.569547	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H+Na"	23.996494
"1065297"	124.715456666667	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2H+Na"	25.00377
"1264789"	382.176086	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+CH3OH+H"	33.033486
"381176"	737.248358	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+K"	38.963158
"742534"	1086.390958	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+K"	38.963158
"1540940"	388.105758	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+K"	38.963158
"301035"	369.127817	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+H+K"	39.970434
"696009"	543.699117	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+H+K"	39.970434
"1446218"	194.556517	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H+K"	39.970434
"236969"	740.319026	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+ACN+H"	42.033826
"1210895"	391.176426	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+ACN+H"	42.033826
"1194652"	196.091851	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+ACN+2H"	43.041102
"191171"	743.25636	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+2Na-H"	44.97116
"629028"	1092.39896	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+2Na-H"	44.97116
"1131880"	394.11376	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2Na-H"	44.97116
"174012"	372.131818	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+2Na"	45.978436
"619285"	546.703118	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+2Na"	45.978436
"1120607"	197.560518	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2Na"	45.978436
"1401216"	132.042770666667	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H+2Na"	46.985712
"1434059"	396.155346	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H+HCOOH"	47.012746
"224121"	377.16484	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+3H2O+2H"	56.04448
"1511456"	410.20739	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+IsoProp+H"	61.06479
"419161"	380.118788	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+Na+K"	61.952376
"773958"	554.690088	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+Na+K"	61.952376
"1671019"	205.547488	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Na+K"	61.952376
"260457"	762.300968	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+ACN+Na"	64.015768
"1237905"	413.158368	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+ACN+Na"	64.015768
"1727642"	413.181893	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+NH4+HCOOH"	64.039293
"1187405"	139.370084666667	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+3Na"	68.967654
"1659849"	418.137288	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Na+HCOOH"	68.994688
"166709"	775.20424	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+2K-H"	76.91904
"602625"	1124.34684	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+2K-H"	76.91904
"1090054"	426.06164	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2K-H"	76.91904
"146868"	388.105758	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"2M+2K"	77.926316
"588250"	562.677058	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"3M+2K"	77.926316
"1078232"	213.534458	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2K"	77.926316
"1104880"	428.076192	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2K+H"	78.933592
"1343450"	428.163807	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+DMSO+H"	79.021207
"1013077"	432.202976	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2ACN+H"	83.060376
"1530108"	433.196608	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+IsoProp+Na+H"	84.054008
"995466"	216.605126	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+2ACN+2H"	84.067652
"1591067"	434.111228	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+K+HCOOH"	84.968628
"1423291"	464.142738	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+H+CF3COOH"	115.000138
"1161599"	237.118401	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+3ACN+2H"	125.094202
"1707505"	481.169285	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+NH4+CF3COOH"	132.026685
"1642061"	486.12468	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+Na+CF3COOH"	136.98208
"1586459"	502.09862	"C10639"	"Anisotine"	"C20H19N3O3"	"349.1426"	"M+K+CF3COOH"	152.95602
"806986"	372.1573	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M"	0
"988542"	353.13891	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-H2O-H"	-19.01839
"68763"	247.097590666667	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M-3H"	-3.021828
"510511"	371.150024	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M-3H"	-3.021828
"891597"	123.045157333333	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-3H"	-3.021828
"2520"	371.150024	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M-2H"	-2.014552
"447547"	557.228674	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M-2H"	-2.014552
"818425"	185.071374	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-2H"	-2.014552
"85342"	743.307324	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M-H"	-1.007276
"527089"	1115.464624	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M-H"	-1.007276
"908169"	371.150024	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-H"	-1.007276
"53799"	760.333871	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M-2H+NH4"	16.019271
"491172"	1132.491171	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M-2H+NH4"	16.019271
"872254"	388.176571	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-2H+NH4"	16.019271
"42342"	765.289266	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M-2H+Na"	20.974666
"481903"	1137.446566	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M-2H+Na"	20.974666
"854241"	393.131966	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-2H+Na"	20.974666
"1624868"	393.131966	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Na-2H"	20.974666
"104677"	389.138363	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M-H+Cl"	33.962126
"540955"	575.217013	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M-H+Cl"	33.962126
"932284"	203.059713	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-H+Cl"	33.962126
"273028"	779.284002	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+Cl"	34.969402
"666544"	1151.441302	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+Cl"	34.969402
"1277854"	407.126702	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Cl"	34.969402
"23692"	781.263206	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M-2H+K"	36.948606
"459972"	1153.420506	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M-2H+K"	36.948606
"834493"	409.105906	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-2H+K"	36.948606
"1560167"	409.105906	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+K-2H"	36.948606
"950236"	417.155494	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-H+HCOOH"	44.998194
"370638"	789.312801	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+HCOOH-H"	44.998201
"352333"	803.328451	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+Hac-H"	59.013851
"1504449"	431.171151	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Hac-H"	59.013851
"961054"	439.137451	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-H+NaCOOH"	66.980151
"111783"	407.126702	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+2Cl"	69.938804
"553895"	593.205352	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+2Cl"	69.938804
"1030352"	221.048052	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2Cl"	69.938804
"1255774"	451.076185	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Br"	78.918885
"1319439"	453.132172	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Cl+HCOOH"	80.974872
"1334628"	475.114129	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Cl+NaCOOH"	102.956829
"926412"	485.142886	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M-H+CF3COOH"	112.985586
"1302635"	521.119564	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Cl+CF3COOH"	148.962264
"1379824"	337.144624	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H-2H2O"	-35.012676
"1395859"	355.1546	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H-H2O"	-17.0027
"292998"	745.321876	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+H"	1.007276
"685783"	1117.479176	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+H"	1.007276
"1358483"	373.164576	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H"	1.007276
"132835"	373.164576	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+2H"	2.014552
"574216"	559.243226	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+2H"	2.014552
"1043017"	187.085926	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2H"	2.014552
"210917"	249.112142666667	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+3H"	3.021828
"648293"	373.164576	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+3H"	3.021828
"1164231"	125.059709333333	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+3H"	3.021828
"426410"	762.348423	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+NH4"	18.033823
"789592"	1134.505723	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+NH4"	18.033823
"1684831"	390.191123	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+NH4"	18.033823
"330473"	381.6778495	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+H+NH4"	19.041099
"724804"	567.7564995	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+H+NH4"	19.041099
"1479352"	195.5991995	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H+NH4"	19.041099
"394022"	767.303818	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+Na"	22.989218
"754654"	1139.461118	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+Na"	22.989218
"1606033"	395.146518	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Na"	22.989218
"321538"	384.155547	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+H+Na"	23.996494
"716146"	570.234197	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+H+Na"	23.996494
"1472162"	198.076897	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H+Na"	23.996494
"1064314"	132.387023333333	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2H+Na"	25.00377
"1263806"	405.190786	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+CH3OH+H"	33.033486
"380192"	783.277758	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+K"	38.963158
"739728"	1155.435058	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+K"	38.963158
"1541052"	411.120458	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+K"	38.963158
"299686"	392.142517	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+H+K"	39.970434
"693202"	578.221167	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+H+K"	39.970434
"1447020"	206.063867	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H+K"	39.970434
"238538"	786.348426	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+ACN+H"	42.033826
"1211613"	414.191126	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+ACN+H"	42.033826
"1194248"	207.599201	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+ACN+2H"	43.041102
"193470"	789.28576	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+2Na-H"	44.97116
"630232"	1161.44306	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+2Na-H"	44.97116
"1131563"	417.12846	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2Na-H"	44.97116
"173508"	395.146518	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+2Na"	45.978436
"614049"	581.225168	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+2Na"	45.978436
"1120716"	209.067868	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2Na"	45.978436
"1408251"	139.714337333333	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H+2Na"	46.985712
"1431010"	419.170046	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H+HCOOH"	47.012746
"225326"	400.17954	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+3H2O+2H"	56.04448
"1512659"	433.22209	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+IsoProp+H"	61.06479
"415992"	403.133488	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+Na+K"	61.952376
"773340"	589.212138	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+Na+K"	61.952376
"1669670"	217.054838	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Na+K"	61.952376
"255826"	808.330368	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+ACN+Na"	64.015768
"1233277"	436.173068	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+ACN+Na"	64.015768
"1717059"	436.196593	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+NH4+HCOOH"	64.039293
"1183505"	147.041651333333	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+3Na"	68.967654
"1654491"	441.151988	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Na+HCOOH"	68.994688
"162446"	821.23364	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+2K-H"	76.91904
"604193"	1193.39094	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+2K-H"	76.91904
"1088705"	449.07634	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2K-H"	76.91904
"148802"	411.120458	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"2M+2K"	77.926316
"590548"	597.199108	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"3M+2K"	77.926316
"1073967"	225.041808	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2K"	77.926316
"1102804"	451.090892	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2K+H"	78.933592
"1340280"	451.178507	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+DMSO+H"	79.021207
"1006990"	455.217676	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2ACN+H"	83.060376
"1528031"	456.211308	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+IsoProp+Na+H"	84.054008
"990836"	228.112476	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+2ACN+2H"	84.067652
"1589350"	457.125928	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+K+HCOOH"	84.968628
"1424494"	487.157438	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+H+CF3COOH"	115.000138
"1161344"	248.625751	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+3ACN+2H"	125.094202
"1707615"	504.183985	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+NH4+CF3COOH"	132.026685
"1642171"	509.13938	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+Na+CF3COOH"	136.98208
"1586569"	525.11332	"C10640"	"Kadsurin A"	"C21H24O6"	"372.1573"	"M+K+CF3COOH"	152.95602
"807096"	363.2562	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M"	0
"988653"	344.23781	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-H2O-H"	-19.01839
"68873"	241.163524	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M-3H"	-3.021828
"510621"	362.248924	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M-3H"	-3.021828
"890614"	120.078124	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-3H"	-3.021828
"2630"	362.248924	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M-2H"	-2.014552
"447658"	543.877024	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M-2H"	-2.014552
"817276"	180.620824	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-2H"	-2.014552
"78638"	725.505124	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M-H"	-1.007276
"527198"	1088.761324	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M-H"	-1.007276
"895845"	362.248924	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-H"	-1.007276
"59009"	742.531671	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M-2H+NH4"	16.019271
"498208"	1105.787871	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M-2H+NH4"	16.019271
"876372"	379.275471	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-2H+NH4"	16.019271
"41359"	747.487066	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M-2H+Na"	20.974666
"477640"	1110.743266	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M-2H+Na"	20.974666
"860545"	384.230866	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-2H+Na"	20.974666
"1628260"	384.230866	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Na-2H"	20.974666
"103694"	380.237263	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M-H+Cl"	33.962126
"546535"	561.865363	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M-H+Cl"	33.962126
"938952"	198.609163	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-H+Cl"	33.962126
"273139"	761.481802	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+Cl"	34.969402
"668842"	1124.738002	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+Cl"	34.969402
"1274683"	398.225602	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Cl"	34.969402
"17239"	763.461006	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M-2H+K"	36.948606
"460080"	1126.717206	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M-2H+K"	36.948606
"838976"	400.204806	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-2H+K"	36.948606
"1561370"	400.204806	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+K-2H"	36.948606
"952534"	408.254394	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-H+HCOOH"	44.998194
"374758"	771.510601	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+HCOOH-H"	44.998201
"355724"	785.526251	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+Hac-H"	59.013851
"1504559"	422.270051	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Hac-H"	59.013851
"964443"	430.236351	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-H+NaCOOH"	66.980151
"114445"	398.225602	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+2Cl"	69.938804
"562757"	579.853702	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+2Cl"	69.938804
"1024996"	216.597502	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2Cl"	69.938804
"1253325"	442.175085	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Br"	78.918885
"1319058"	444.231072	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Cl+HCOOH"	80.974872
"1333637"	466.213029	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Cl+NaCOOH"	102.956829
"926399"	476.241786	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M-H+CF3COOH"	112.985586
"1303229"	512.218464	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Cl+CF3COOH"	148.962264
"1382244"	328.243524	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H-2H2O"	-35.012676
"1395971"	346.2535	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H-H2O"	-17.0027
"295295"	727.519676	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+H"	1.007276
"687716"	1090.775876	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+H"	1.007276
"1360780"	364.263476	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H"	1.007276
"133673"	364.263476	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+2H"	2.014552
"569953"	545.891576	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+2H"	2.014552
"1043127"	182.635376	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2H"	2.014552
"211028"	243.178076	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+3H"	3.021828
"646216"	364.263476	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+3H"	3.021828
"1165435"	122.092676	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+3H"	3.021828
"429801"	744.546223	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+NH4"	18.033823
"790795"	1107.802423	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+NH4"	18.033823
"1686033"	381.290023	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+NH4"	18.033823
"331760"	372.7767495	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+H+NH4"	19.041099
"730017"	554.4048495	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+H+NH4"	19.041099
"1479463"	191.1486495	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H+NH4"	19.041099
"399236"	749.501618	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+Na"	22.989218
"755857"	1112.757818	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+Na"	22.989218
"1607235"	386.245418	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Na"	22.989218
"326752"	375.254447	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+H+Na"	23.996494
"717349"	556.882547	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+H+Na"	23.996494
"1461853"	193.626347	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H+Na"	23.996494
"1054943"	129.41999	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2H+Na"	25.00377
"1263916"	396.289686	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+CH3OH+H"	33.033486
"378845"	765.475558	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+K"	38.963158
"740570"	1128.731758	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+K"	38.963158
"1540070"	402.219358	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+K"	38.963158
"299068"	383.241417	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+H+K"	39.970434
"693678"	564.869517	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+H+K"	39.970434
"1447496"	201.613317	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H+K"	39.970434
"239014"	768.546226	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+ACN+H"	42.033826
"1211360"	405.290026	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+ACN+H"	42.033826
"1195238"	203.148651	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+ACN+2H"	43.041102
"192487"	771.48356	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+2Na-H"	44.97116
"630950"	1134.73976	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+2Na-H"	44.97116
"1131823"	408.22736	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2Na-H"	44.97116
"173453"	386.245418	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+2Na"	45.978436
"614159"	567.873518	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+2Na"	45.978436
"1118639"	204.617318	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2Na"	45.978436
"1407633"	136.747304	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H+2Na"	46.985712
"1436833"	410.268946	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H+HCOOH"	47.012746
"230540"	391.27844	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+3H2O+2H"	56.04448
"1516414"	424.32099	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+IsoProp+H"	61.06479
"412455"	394.232388	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+Na+K"	61.952376
"773450"	575.860488	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+Na+K"	61.952376
"1672332"	212.604288	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Na+K"	61.952376
"257759"	790.528168	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+ACN+Na"	64.015768
"1233750"	427.271968	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+ACN+Na"	64.015768
"1722635"	427.295493	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+NH4+HCOOH"	64.039293
"1187989"	144.074618	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+3Na"	68.967654
"1657882"	432.250888	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Na+HCOOH"	68.994688
"165837"	803.43144	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+2K-H"	76.91904
"606489"	1166.68764	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+2K-H"	76.91904
"1093188"	440.17524	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2K-H"	76.91904
"147819"	402.219358	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"2M+2K"	77.926316
"585192"	583.847458	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"3M+2K"	77.926316
"1074079"	220.591258	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2K"	77.926316
"1102914"	442.189792	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2K+H"	78.933592
"1337475"	442.277407	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+DMSO+H"	79.021207
"1012202"	446.316576	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2ACN+H"	83.060376
"1526319"	447.310208	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+IsoProp+Na+H"	84.054008
"990946"	223.661926	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+2ACN+2H"	84.067652
"1589460"	448.224828	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+K+HCOOH"	84.968628
"1416947"	478.256338	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+H+CF3COOH"	115.000138
"1149422"	244.175201	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+3ACN+2H"	125.094202
"1707725"	495.282885	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+NH4+CF3COOH"	132.026685
"1644468"	500.23828	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+Na+CF3COOH"	136.98208
"1576838"	516.21222	"C10641"	"Aurachin D"	"C25H33NO"	"363.2562"	"M+K+CF3COOH"	152.95602
"807206"	250.1106	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M"	0
"988396"	231.09221	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-H2O-H"	-19.01839
"70076"	165.733124	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M-3H"	-3.021828
"511824"	249.103324	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M-3H"	-3.021828
"891817"	82.362924	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-3H"	-3.021828
"9297"	249.103324	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M-2H"	-2.014552
"449955"	374.158624	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M-2H"	-2.014552
"827756"	124.048024	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-2H"	-2.014552
"83374"	499.213924	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M-H"	-1.007276
"524028"	749.324524	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M-H"	-1.007276
"906203"	249.103324	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-H"	-1.007276
"60212"	516.240471	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M-2H+NH4"	16.019271
"498680"	766.351071	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M-2H+NH4"	16.019271
"871380"	266.129871	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-2H+NH4"	16.019271
"42562"	521.195866	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M-2H+Na"	20.974666
"481030"	771.306466	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M-2H+Na"	20.974666
"858835"	271.085266	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-2H+Na"	20.974666
"1627274"	271.085266	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Na-2H"	20.974666
"105992"	267.091663	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M-H+Cl"	33.962126
"547013"	392.146963	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M-H+Cl"	33.962126
"940885"	142.036363	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-H+Cl"	33.962126
"274343"	535.190602	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+Cl"	34.969402
"668952"	785.301202	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+Cl"	34.969402
"1274793"	285.080002	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Cl"	34.969402
"17470"	537.169806	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M-2H+K"	36.948606
"461283"	787.280406	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M-2H+K"	36.948606
"839086"	287.059206	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-2H+K"	36.948606
"1562573"	287.059206	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+K-2H"	36.948606
"954831"	295.108794	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-H+HCOOH"	44.998194
"375841"	545.219401	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+HCOOH-H"	44.998201
"358020"	559.235051	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+Hac-H"	59.013851
"1505762"	309.124451	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Hac-H"	59.013851
"964553"	317.090751	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-H+NaCOOH"	66.980151
"114555"	285.080002	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+2Cl"	69.938804
"560678"	410.135302	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+2Cl"	69.938804
"1029478"	160.024702	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2Cl"	69.938804
"1254529"	329.029485	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Br"	78.918885
"1318075"	331.085472	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Cl+HCOOH"	80.974872
"1333018"	353.067429	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Cl+NaCOOH"	102.956829
"925171"	363.096186	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M-H+CF3COOH"	112.985586
"1302973"	399.072864	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Cl+CF3COOH"	148.962264
"1382480"	215.097924	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H-2H2O"	-35.012676
"1397902"	233.1079	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H-H2O"	-17.0027
"296861"	501.228476	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+H"	1.007276
"690742"	751.339076	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+H"	1.007276
"1364172"	251.117876	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H"	1.007276
"133783"	251.117876	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+2H"	2.014552
"572978"	376.173176	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+2H"	2.014552
"1039957"	126.062576	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2H"	2.014552
"214418"	167.747676	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+3H"	3.021828
"645354"	251.117876	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+3H"	3.021828
"1164814"	84.377476	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+3H"	3.021828
"426630"	518.255023	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+NH4"	18.033823
"788718"	768.365623	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+NH4"	18.033823
"1683956"	268.144423	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+NH4"	18.033823
"331140"	259.6311495	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+H+NH4"	19.041099
"731220"	384.6864495	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+H+NH4"	19.041099
"1479573"	134.5758495	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H+NH4"	19.041099
"399346"	523.210418	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+Na"	22.989218
"758154"	773.321018	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+Na"	22.989218
"1607345"	273.099818	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Na"	22.989218
"327226"	262.108847	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+H+Na"	23.996494
"719646"	387.164147	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+H+Na"	23.996494
"1464719"	137.053547	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H+Na"	23.996494
"1056872"	91.70479	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2H+Na"	25.00377
"1265119"	283.144086	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+CH3OH+H"	33.033486
"379319"	539.184358	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+K"	38.963158
"740680"	789.294958	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+K"	38.963158
"1542731"	289.073758	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+K"	38.963158
"299543"	270.095817	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+H+K"	39.970434
"695246"	395.151117	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+H+K"	39.970434
"1447971"	145.040517	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H+K"	39.970434
"238760"	542.255026	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+ACN+H"	42.033826
"1211834"	292.144426	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+ACN+H"	42.033826
"1196442"	146.575851	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+ACN+2H"	43.041102
"196970"	545.19236	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+2Na-H"	44.97116
"630817"	795.30296	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+2Na-H"	44.97116
"1132136"	295.08176	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2Na-H"	44.97116
"172872"	273.099818	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+2Na"	45.978436
"614269"	398.155118	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+2Na"	45.978436
"1117656"	148.044518	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2Na"	45.978436
"1401546"	99.032104	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H+2Na"	46.985712
"1436579"	297.123346	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H+HCOOH"	47.012746
"224817"	278.13284	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+3H2O+2H"	56.04448
"1508948"	311.17539	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+IsoProp+H"	61.06479
"408554"	281.086788	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+Na+K"	61.952376
"770038"	406.142088	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+Na+K"	61.952376
"1666609"	156.031488	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Na+K"	61.952376
"251953"	564.236968	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+ACN+Na"	64.015768
"1231671"	314.126368	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+ACN+Na"	64.015768
"1721650"	314.149893	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+NH4+HCOOH"	64.039293
"1185910"	106.359418	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+3Na"	68.967654
"1656899"	319.105288	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Na+HCOOH"	68.994688
"167040"	577.14024	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+2K-H"	76.91904
"604411"	827.25084	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+2K-H"	76.91904
"1091111"	327.02964	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2K-H"	76.91904
"145742"	289.073758	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"2M+2K"	77.926316
"591863"	414.129058	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"3M+2K"	77.926316
"1074188"	164.018458	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2K"	77.926316
"1105209"	329.044192	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2K+H"	78.933592
"1338313"	329.131807	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+DMSO+H"	79.021207
"1012310"	333.170976	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2ACN+H"	83.060376
"1529343"	334.164608	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+IsoProp+Na+H"	84.054008
"994702"	167.089126	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+2ACN+2H"	84.067652
"1589570"	335.079228	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+K+HCOOH"	84.968628
"1415964"	365.110738	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+H+CF3COOH"	115.000138
"1147346"	187.602401	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+3ACN+2H"	125.094202
"1701270"	382.137285	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+NH4+CF3COOH"	132.026685
"1644578"	387.09268	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+Na+CF3COOH"	136.98208
"1576948"	403.06662	"C10642"	"Arborine;Glycosine"	"C16H14N2O"	"250.1106"	"M+K+CF3COOH"	152.95602
"807316"	285.1001	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M"	0
"989359"	266.08171	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-H2O-H"	-19.01839
"68000"	189.059457333333	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M-3H"	-3.021828
"511934"	284.092824	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M-3H"	-3.021828
"894926"	94.0260906666667	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-3H"	-3.021828
"9407"	284.092824	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M-2H"	-2.014552
"452617"	426.642874	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M-2H"	-2.014552
"827866"	141.542774	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-2H"	-2.014552
"88953"	569.192924	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M-H"	-1.007276
"524140"	854.293024	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M-H"	-1.007276
"905221"	284.092824	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-H"	-1.007276
"58505"	586.219471	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M-2H+NH4"	16.019271
"499885"	871.319571	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M-2H+NH4"	16.019271
"876957"	301.119371	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-2H+NH4"	16.019271
"44497"	591.174866	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M-2H+Na"	20.974666
"483329"	876.274966	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M-2H+Na"	20.974666
"861862"	306.074766	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-2H+Na"	20.974666
"1630668"	306.074766	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Na-2H"	20.974666
"107926"	302.081163	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M-H+Cl"	33.962126
"547123"	444.631213	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M-H+Cl"	33.962126
"940266"	159.531113	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-H+Cl"	33.962126
"278826"	605.169602	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+Cl"	34.969402
"671978"	890.269702	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+Cl"	34.969402
"1279278"	320.069502	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Cl"	34.969402
"21834"	607.148806	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M-2H+K"	36.948606
"461395"	892.248906	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M-2H+K"	36.948606
"838104"	322.048706	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-2H+K"	36.948606
"1563778"	322.048706	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+K-2H"	36.948606
"956034"	330.098294	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-H+HCOOH"	44.998194
"376559"	615.198401	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+HCOOH-H"	44.998201
"359103"	629.214051	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+Hac-H"	59.013851
"1502591"	344.113951	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Hac-H"	59.013851
"964664"	352.080251	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-H+NaCOOH"	66.980151
"113935"	320.069502	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+2Cl"	69.938804
"560788"	462.619552	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+2Cl"	69.938804
"1029588"	177.519452	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2Cl"	69.938804
"1254638"	364.018985	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Br"	78.918885
"1317822"	366.074972	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Cl+HCOOH"	80.974872
"1333492"	388.056929	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Cl+NaCOOH"	102.956829
"924549"	398.085686	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M-H+CF3COOH"	112.985586
"1302719"	434.062364	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Cl+CF3COOH"	148.962264
"1382667"	250.087424	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H-2H2O"	-35.012676
"1398384"	268.0974	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H-H2O"	-17.0027
"298066"	571.207476	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+H"	1.007276
"690487"	856.307576	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+H"	1.007276
"1365743"	286.107376	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H"	1.007276
"133893"	286.107376	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+2H"	2.014552
"571265"	428.657426	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+2H"	2.014552
"1044440"	143.557326	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2H"	2.014552
"214528"	191.074009333333	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+3H"	3.021828
"647529"	286.107376	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+3H"	3.021828
"1171123"	96.0406426666667	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+3H"	3.021828
"428926"	588.234023	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+NH4"	18.033823
"788828"	873.334123	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+NH4"	18.033823
"1689534"	303.133923	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+NH4"	18.033823
"330887"	294.6206495	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+H+NH4"	19.041099
"730237"	437.1706995	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+H+NH4"	19.041099
"1479683"	152.0705995	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H+NH4"	19.041099
"398362"	593.189418	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+Na"	22.989218
"760451"	878.289518	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+Na"	22.989218
"1608549"	308.089318	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Na"	22.989218
"327336"	297.098347	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+H+Na"	23.996494
"717570"	439.648397	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+H+Na"	23.996494
"1468111"	154.548297	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H+Na"	23.996494
"1060264"	103.367956666667	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2H+Na"	25.00377
"1261949"	318.133586	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+CH3OH+H"	33.033486
"383804"	609.163358	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+K"	38.963158
"741519"	894.263458	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+K"	38.963158
"1545758"	324.063258	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+K"	38.963158
"302935"	305.085317	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+H+K"	39.970434
"697543"	447.635367	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+H+K"	39.970434
"1451361"	162.535267	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H+K"	39.970434
"241058"	612.234026	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+ACN+H"	42.033826
"1213037"	327.133926	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+ACN+H"	42.033826
"1198012"	164.070601	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+ACN+2H"	43.041102
"198173"	615.17136	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+2Na-H"	44.97116
"632267"	900.27146	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+2Na-H"	44.97116
"1132614"	330.07126	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2Na-H"	44.97116
"173712"	308.089318	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+2Na"	45.978436
"617538"	450.639368	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+2Na"	45.978436
"1127607"	165.539268	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2Na"	45.978436
"1406759"	110.695270666667	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H+2Na"	46.985712
"1438876"	332.112846	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H+HCOOH"	47.012746
"224563"	313.12234	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+3H2O+2H"	56.04448
"1513353"	346.16489	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+IsoProp+H"	61.06479
"408904"	316.076288	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+Na+K"	61.952376
"770419"	458.626338	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+Na+K"	61.952376
"1667084"	173.526238	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Na+K"	61.952376
"259072"	634.215968	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+ACN+Na"	64.015768
"1227772"	349.115868	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+ACN+Na"	64.015768
"1716294"	349.139393	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+NH4+HCOOH"	64.039293
"1183835"	118.022584666667	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+3Na"	68.967654
"1653727"	354.094788	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Na+HCOOH"	68.994688
"164962"	647.11924	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+2K-H"	76.91904
"602336"	932.21934	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+2K-H"	76.91904
"1093410"	362.01914	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2K-H"	76.91904
"145852"	324.063258	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"2M+2K"	77.926316
"587598"	466.613308	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"3M+2K"	77.926316
"1077577"	181.513208	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2K"	77.926316
"1105319"	364.033692	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2K+H"	78.933592
"1341704"	364.121307	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+DMSO+H"	79.021207
"1012419"	368.160476	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2ACN+H"	83.060376
"1527630"	369.154108	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+IsoProp+Na+H"	84.054008
"994812"	184.583876	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+2ACN+2H"	84.067652
"1587490"	370.068728	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+K+HCOOH"	84.968628
"1419354"	400.100238	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+H+CF3COOH"	115.000138
"1147937"	205.097151	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+3ACN+2H"	125.094202
"1704662"	417.126785	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+NH4+CF3COOH"	132.026685
"1649756"	422.08218	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+Na+CF3COOH"	136.98208
"1586899"	438.05612	"C10643"	"Arborinine"	"C16H15NO4"	"285.1001"	"M+K+CF3COOH"	152.95602
"815450"	610.1951	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M"	0
"988619"	591.17671	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-H2O-H"	-19.01839
"78120"	405.789457333333	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M-3H"	-3.021828
"516419"	609.187824	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M-3H"	-3.021828
"895523"	202.391090666667	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-3H"	-3.021828
"11704"	609.187824	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M-2H"	-2.014552
"453092"	914.285374	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M-2H"	-2.014552
"829803"	304.090274	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-2H"	-2.014552
"88701"	1219.382924	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M-H"	-1.007276
"528625"	1829.578024	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M-H"	-1.007276
"906064"	609.187824	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-H"	-1.007276
"59707"	1236.409471	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M-2H+NH4"	16.019271
"501333"	1846.604571	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M-2H+NH4"	16.019271
"877072"	626.214371	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-2H+NH4"	16.019271
"44247"	1241.364866	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M-2H+Na"	20.974666
"485870"	1851.559966	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M-2H+Na"	20.974666
"862339"	631.169766	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-2H+Na"	20.974666
"1633940"	631.169766	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Na-2H"	20.974666
"108646"	627.176163	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M-H+Cl"	33.962126
"548328"	932.273713	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M-H+Cl"	33.962126
"941958"	322.078613	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-H+Cl"	33.962126
"279303"	1255.359602	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+Cl"	34.969402
"670996"	1865.554702	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+Cl"	34.969402
"1280480"	645.164502	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Cl"	34.969402
"19754"	1257.338806	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M-2H+K"	36.948606
"458947"	1867.533906	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M-2H+K"	36.948606
"837119"	647.143706	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-2H+K"	36.948606
"1560968"	647.143706	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+K-2H"	36.948606
"949581"	655.193294	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-H+HCOOH"	44.998194
"368161"	1265.388401	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+HCOOH-H"	44.998201
"357879"	1279.404051	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+Hac-H"	59.013851
"1502701"	669.208951	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Hac-H"	59.013851
"969148"	677.175251	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-H+NaCOOH"	66.980151
"115870"	645.164502	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+2Cl"	69.938804
"563085"	950.262052	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+2Cl"	69.938804
"1035904"	340.066952	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2Cl"	69.938804
"1255732"	689.113985	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Br"	78.918885
"1319639"	691.169972	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Cl+HCOOH"	80.974872
"1335392"	713.151929	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Cl+NaCOOH"	102.956829
"926375"	723.180686	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M-H+CF3COOH"	112.985586
"1304134"	759.157364	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Cl+CF3COOH"	148.962264
"1382538"	575.182424	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H-2H2O"	-35.012676
"1398166"	593.1924	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H-H2O"	-17.0027
"297083"	1221.397476	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+H"	1.007276
"690721"	1831.592576	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+H"	1.007276
"1366914"	611.202376	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H"	1.007276
"132909"	611.202376	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+2H"	2.014552
"573561"	916.299926	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+2H"	2.014552
"1048563"	306.104826	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2H"	2.014552
"213547"	407.804009333333	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+3H"	3.021828
"648732"	611.202376	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+3H"	3.021828
"1169046"	204.405642666667	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+3H"	3.021828
"430130"	1238.424023	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+NH4"	18.033823
"794406"	1848.619123	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+NH4"	18.033823
"1690738"	628.228923	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+NH4"	18.033823
"334644"	619.7156495	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+H+NH4"	19.041099
"731440"	924.8131995	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+H+NH4"	19.041099
"1486353"	314.6180995	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H+NH4"	19.041099
"406128"	1243.379418	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+Na"	22.989218
"764935"	1853.574518	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+Na"	22.989218
"1615220"	633.184318	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Na"	22.989218
"329596"	622.193347	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+H+Na"	23.996494
"719867"	927.290897	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+H+Na"	23.996494
"1474782"	317.095797	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H+Na"	23.996494
"1059281"	211.732956666667	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2H+Na"	25.00377
"1262059"	643.228586	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+CH3OH+H"	33.033486
"382820"	1259.353358	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+K"	38.963158
"744908"	1869.548458	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+K"	38.963158
"1546960"	649.158258	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+K"	38.963158
"306324"	630.180317	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+H+K"	39.970434
"699840"	935.277867	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+H+K"	39.970434
"1451471"	325.082767	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H+K"	39.970434
"244448"	1262.424026	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+ACN+H"	42.033826
"1217156"	652.228926	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+ACN+H"	42.033826
"1202133"	326.618101	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+ACN+2H"	43.041102
"201564"	1265.36136	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+2Na-H"	44.97116
"638938"	1875.55646	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+2Na-H"	44.97116
"1132848"	655.16626	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2Na-H"	44.97116
"174317"	633.184318	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+2Na"	45.978436
"617648"	938.281868	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+2Na"	45.978436
"1127718"	328.086768	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2Na"	45.978436
"1411974"	219.060270666667	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H+2Na"	46.985712
"1441173"	657.207846	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H+HCOOH"	47.012746
"228682"	638.21734	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+3H2O+2H"	56.04448
"1513827"	671.25989	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+IsoProp+H"	61.06479
"409502"	641.171288	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+Na+K"	61.952376
"771347"	946.268838	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+Na+K"	61.952376
"1674848"	336.073738	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Na+K"	61.952376
"260275"	1284.405968	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+ACN+Na"	64.015768
"1226789"	674.210868	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+ACN+Na"	64.015768
"1720778"	674.234393	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+NH4+HCOOH"	64.039293
"1190506"	226.387584666667	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+3Na"	68.967654
"1659305"	679.189788	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Na+HCOOH"	68.994688
"163980"	1297.30924	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+2K-H"	76.91904
"605728"	1907.50434	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+2K-H"	76.91904
"1092426"	687.11414	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2K-H"	76.91904
"148150"	649.158258	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"2M+2K"	77.926316
"590991"	954.255808	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"3M+2K"	77.926316
"1076597"	344.060708	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2K"	77.926316
"1106522"	689.128692	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2K+H"	78.933592
"1341814"	689.216307	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+DMSO+H"	79.021207
"1009254"	693.255476	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2ACN+H"	83.060376
"1529566"	694.249108	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+IsoProp+Na+H"	84.054008
"992740"	347.131376	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+2ACN+2H"	84.067652
"1595993"	695.163728	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+K+HCOOH"	84.968628
"1419464"	725.195238	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+H+CF3COOH"	115.000138
"1149749"	367.644651	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+3ACN+2H"	125.094202
"1704772"	742.221785	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+NH4+CF3COOH"	132.026685
"1649743"	747.17718	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+Na+CF3COOH"	136.98208
"1587010"	763.15112	"C10644"	"Atalanine"	"C34H30N2O9"	"610.1951"	"M+K+CF3COOH"	152.95602
"816655"	379.1784	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M"	0
"989764"	360.16001	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-H2O-H"	-19.01839
"75876"	251.778324	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M-3H"	-3.021828
"512156"	378.171124	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M-3H"	-3.021828
"895520"	125.385524	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-3H"	-3.021828
"14371"	378.171124	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M-2H"	-2.014552
"453564"	567.760324	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M-2H"	-2.014552
"831003"	188.581924	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-2H"	-2.014552
"83707"	757.349524	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M-H"	-1.007276
"529828"	1136.527924	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M-H"	-1.007276
"906538"	378.171124	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-H"	-1.007276
"61761"	774.376071	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M-2H+NH4"	16.019271
"500468"	1153.554471	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M-2H+NH4"	16.019271
"878637"	395.197671	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-2H+NH4"	16.019271
"45448"	779.331466	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M-2H+Na"	20.974666
"483554"	1158.509866	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M-2H+Na"	20.974666
"862449"	400.153066	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-2H+Na"	20.974666
"1631616"	400.153066	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Na-2H"	20.974666
"107416"	396.159463	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M-H+Cl"	33.962126
"548069"	585.748663	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M-H+Cl"	33.962126
"940125"	206.570263	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-H+Cl"	33.962126
"274672"	793.326202	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+Cl"	34.969402
"669281"	1172.504602	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+Cl"	34.969402
"1276216"	414.147802	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Cl"	34.969402
"22051"	795.305406	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M-2H+K"	36.948606
"459424"	1174.483806	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M-2H+K"	36.948606
"834916"	416.127006	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-2H+K"	36.948606
"1557797"	416.127006	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+K-2H"	36.948606
"947504"	424.176594	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-H+HCOOH"	44.998194
"370093"	803.355001	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+HCOOH-H"	44.998201
"351063"	817.370651	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+Hac-H"	59.013851
"1502811"	438.192251	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Hac-H"	59.013851
"965977"	446.158551	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-H+NaCOOH"	66.980151
"115980"	414.147802	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+2Cl"	69.938804
"556634"	603.737002	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+2Cl"	69.938804
"1035649"	224.558602	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2Cl"	69.938804
"1254132"	458.097285	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Br"	78.918885
"1318405"	460.153272	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Cl+HCOOH"	80.974872
"1333348"	482.135229	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Cl+NaCOOH"	102.956829
"923313"	492.163986	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M-H+CF3COOH"	112.985586
"1302574"	528.140664	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Cl+CF3COOH"	148.962264
"1381465"	344.165724	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H-2H2O"	-35.012676
"1392762"	362.1757	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H-H2O"	-17.0027
"294636"	759.364076	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+H"	1.007276
"687424"	1138.542476	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+H"	1.007276
"1365961"	380.185676	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H"	1.007276
"135206"	380.185676	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+2H"	2.014552
"572215"	569.774876	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+2H"	2.014552
"1042476"	190.596476	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2H"	2.014552
"213659"	253.792876	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+3H"	3.021828
"645317"	380.185676	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+3H"	3.021828
"1165874"	127.400076	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+3H"	3.021828
"426959"	776.390623	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+NH4"	18.033823
"787589"	1155.569023	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+NH4"	18.033823
"1682460"	397.212223	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+NH4"	18.033823
"330088"	388.6989495	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+H+NH4"	19.041099
"724990"	578.2881495	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+H+NH4"	19.041099
"1478564"	199.1097495	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H+NH4"	19.041099
"394814"	781.346018	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+Na"	22.989218
"761763"	1160.524418	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+Na"	22.989218
"1605489"	402.167618	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Na"	22.989218
"322087"	391.176647	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+H+Na"	23.996494
"717788"	580.765847	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+H+Na"	23.996494
"1466143"	201.587447	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H+Na"	23.996494
"1056474"	134.72739	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2H+Na"	25.00377
"1263262"	412.211886	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+CH3OH+H"	33.033486
"382930"	797.319958	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+K"	38.963158
"742831"	1176.498358	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+K"	38.963158
"1543790"	418.141558	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+K"	38.963158
"305341"	399.163617	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+H+K"	39.970434
"699950"	588.752817	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+H+K"	39.970434
"1451582"	209.574417	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H+K"	39.970434
"242371"	800.390626	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+ACN+H"	42.033826
"1216173"	421.212226	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+ACN+H"	42.033826
"1203337"	211.109751	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+ACN+2H"	43.041102
"202767"	803.32796	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+2Na-H"	44.97116
"637955"	1182.50636	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+2Na-H"	44.97116
"1131619"	424.14956	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2Na-H"	44.97116
"172986"	402.167618	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+2Na"	45.978436
"617758"	591.756818	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+2Na"	45.978436
"1127828"	212.578418	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2Na"	45.978436
"1412446"	142.054704	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H+2Na"	46.985712
"1442377"	426.191146	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H+HCOOH"	47.012746
"228792"	407.20064	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+3H2O+2H"	56.04448
"1516853"	440.24319	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+IsoProp+H"	61.06479
"409856"	410.154588	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+Na+K"	61.952376
"772068"	599.743788	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+Na+K"	61.952376
"1674958"	220.565388	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Na+K"	61.952376
"261480"	822.372568	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+ACN+Na"	64.015768
"1229815"	443.194168	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+ACN+Na"	64.015768
"1723076"	443.217693	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+NH4+HCOOH"	64.039293
"1191346"	149.382018	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+3Na"	68.967654
"1661602"	448.173088	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Na+HCOOH"	68.994688
"165183"	835.27584	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+2K-H"	76.91904
"604744"	1214.45424	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+2K-H"	76.91904
"1089256"	456.09744	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2K-H"	76.91904
"147167"	418.141558	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"2M+2K"	77.926316
"588914"	607.730758	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"3M+2K"	77.926316
"1073426"	228.552358	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2K"	77.926316
"1104447"	458.111992	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2K+H"	78.933592
"1339006"	458.199607	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+DMSO+H"	79.021207
"1010457"	462.238776	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2ACN+H"	83.060376
"1527488"	463.232408	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+IsoProp+Na+H"	84.054008
"995036"	231.623026	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+2ACN+2H"	84.067652
"1595011"	464.147028	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+K+HCOOH"	84.968628
"1420669"	494.178538	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+H+CF3COOH"	115.000138
"1158612"	252.136301	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+3ACN+2H"	125.094202
"1708166"	511.205085	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+NH4+CF3COOH"	132.026685
"1643816"	516.16048	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+Na+CF3COOH"	136.98208
"1577279"	532.13442	"C10645"	"Atalaphylline"	"C23H25NO4"	"379.1784"	"M+K+CF3COOH"	152.95602
"815303"	360.1573	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M"	0
"989752"	341.13891	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"75986"	239.097590666667	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"512266"	359.150024	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"895505"	119.045157333333	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"14482"	359.150024	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"453674"	539.228674	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"831114"	179.071374	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"89284"	719.307324	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"527752"	1079.464624	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"906649"	359.150024	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"59928"	736.333871	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"500578"	1096.491171	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"877290"	376.176571	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"45195"	741.289266	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"483665"	1101.446566	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"861466"	381.131966	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1631363"	381.131966	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"108256"	377.138363	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"548059"	557.217013	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"940235"	197.059713	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"274781"	755.284002	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"668297"	1115.441302	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1276324"	395.126702	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"22161"	757.263206	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"459534"	1117.420506	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"835145"	397.105906	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1557907"	397.105906	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"948707"	405.155494	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"369109"	765.312801	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"355180"	779.328451	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1502921"	419.171151	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"964263"	427.137451	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"119370"	395.126702	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"560024"	575.205352	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1034664"	215.048052	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1254242"	439.076185	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1318881"	441.132172	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1330907"	463.114129	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"924152"	473.142886	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1301589"	509.119564	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1381575"	325.144624	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1394694"	343.1546	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"294017"	721.321876	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"687534"	1081.479176	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1366680"	361.164576	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"134223"	361.164576	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"572689"	541.243226	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1040400"	181.085926	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"208300"	241.112142666667	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"646764"	361.164576	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1164889"	121.059709333333	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"425974"	738.348423	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"788063"	1098.505723	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1683662"	378.191123	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"330849"	369.6778495	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"725100"	549.7564995	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1480012"	189.5991995	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"394317"	743.303818	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"759686"	1103.461118	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1606692"	383.146518	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"322197"	372.155547	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"715711"	552.234197	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1466253"	192.076897	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1056584"	128.387023333333	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1263372"	393.190786	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"381946"	759.277758	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"742211"	1119.435058	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1543170"	399.120458	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"305451"	380.142517	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"698964"	560.221167	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1446588"	200.063867	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"238106"	762.348426	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1214097"	402.191126	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1200167"	201.599201	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"199597"	765.28576	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"632598"	1125.44306	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1132455"	405.12846	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"172978"	383.146518	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"615316"	563.225168	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1127937"	203.067868	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1412921"	135.714337333333	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1441760"	407.170046	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"228902"	388.17954	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1514047"	421.22209	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"412274"	391.133488	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"774365"	571.212138	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1675068"	211.054838	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"262683"	784.330368	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1235391"	424.173068	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1715532"	424.196593	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1186352"	143.041651333333	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1656245"	429.151988	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"163106"	797.23364	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"602667"	1157.39094	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1088273"	437.07634	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"145090"	399.120458	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"589024"	579.199108	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1074629"	219.041808	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1103463"	439.090892	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1338022"	439.178507	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1009474"	443.217676	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1526140"	444.211308	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"996239"	222.112476	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1596214"	445.125928	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1421872"	475.157438	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1158722"	242.625751	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1708276"	492.183985	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1645019"	497.13938	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1577389"	513.11332	"C10646"	"Lariciresinol;()-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"815414"	289.1314	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M"	0
"988955"	270.11301	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-H2O-H"	-19.01839
"77924"	191.746990666667	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M-3H"	-3.021828
"512376"	288.124124	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M-3H"	-3.021828
"894197"	95.3698573333333	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-3H"	-3.021828
"13135"	288.124124	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M-2H"	-2.014552
"451965"	432.689824	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M-2H"	-2.014552
"829038"	143.558424	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-2H"	-2.014552
"89030"	577.255524	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M-H"	-1.007276
"527861"	866.386924	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M-H"	-1.007276
"907489"	288.124124	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-H"	-1.007276
"58579"	594.282071	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M-2H+NH4"	16.019271
"495221"	883.413471	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M-2H+NH4"	16.019271
"875940"	305.150671	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-2H+NH4"	16.019271
"44942"	599.237466	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M-2H+Na"	20.974666
"485596"	888.368866	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M-2H+Na"	20.974666
"861210"	310.106066	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-2H+Na"	20.974666
"1632566"	310.106066	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Na-2H"	20.974666
"107270"	306.112463	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M-H+Cl"	33.962126
"547925"	450.678163	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M-H+Cl"	33.962126
"937425"	161.546763	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-H+Cl"	33.962126
"277081"	613.232202	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+Cl"	34.969402
"670230"	902.363602	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+Cl"	34.969402
"1278623"	324.100802	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Cl"	34.969402
"17168"	615.211406	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M-2H+K"	36.948606
"460738"	904.342806	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M-2H+K"	36.948606
"837447"	326.080006	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-2H+K"	36.948606
"1556925"	326.080006	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+K-2H"	36.948606
"946630"	334.129594	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-H+HCOOH"	44.998194
"365939"	623.261001	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+HCOOH-H"	44.998201
"354196"	637.276651	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+Hac-H"	59.013851
"1500842"	348.145251	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Hac-H"	59.013851
"966198"	356.111551	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-H+NaCOOH"	66.980151
"119480"	324.100802	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+2Cl"	69.938804
"556854"	468.666502	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+2Cl"	69.938804
"1034043"	179.535102	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2Cl"	69.938804
"1253624"	368.050285	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Br"	78.918885
"1318505"	370.106272	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Cl+HCOOH"	80.974872
"1332475"	392.088229	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Cl+NaCOOH"	102.956829
"923168"	402.116986	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M-H+CF3COOH"	112.985586
"1303526"	438.093664	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Cl+CF3COOH"	148.962264
"1382506"	254.118724	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H-2H2O"	-35.012676
"1396265"	272.1287	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H-H2O"	-17.0027
"297045"	579.270076	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+H"	1.007276
"688373"	868.401476	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+H"	1.007276
"1362899"	290.138676	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H"	1.007276
"134333"	290.138676	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+2H"	2.014552
"572799"	434.704376	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+2H"	2.014552
"1041603"	145.572976	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2H"	2.014552
"208410"	193.761542666667	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+3H"	3.021828
"647967"	290.138676	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+3H"	3.021828
"1166092"	97.3844093333333	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+3H"	3.021828
"428271"	596.296623	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+NH4"	18.033823
"787079"	885.428023	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+NH4"	18.033823
"1681952"	307.165223	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+NH4"	18.033823
"331816"	298.6519495	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+H+NH4"	19.041099
"724237"	443.2176495	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+H+NH4"	19.041099
"1485592"	154.0862495	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H+NH4"	19.041099
"400990"	601.252018	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+Na"	22.989218
"760891"	890.383418	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+Na"	22.989218
"1615550"	312.120618	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Na"	22.989218
"322307"	301.129647	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+H+Na"	23.996494
"719105"	445.695347	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+H+Na"	23.996494
"1469645"	156.563947	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H+Na"	23.996494
"1059612"	104.711723333333	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2H+Na"	25.00377
"1262388"	322.164886	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+CH3OH+H"	33.033486
"382055"	617.225958	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+K"	38.963158
"744143"	906.357358	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+K"	38.963158
"1544009"	328.094558	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+K"	38.963158
"306652"	309.116617	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+H+K"	39.970434
"701261"	453.682317	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+H+K"	39.970434
"1451802"	164.550917	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H+K"	39.970434
"240403"	620.296626	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+ACN+H"	42.033826
"1216394"	331.165226	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+ACN+H"	42.033826
"1200277"	166.086251	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+ACN+2H"	43.041102
"201894"	623.23396	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+2Na-H"	44.97116
"633801"	912.36536	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+2Na-H"	44.97116
"1133657"	334.10256	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2Na-H"	44.97116
"173345"	312.120618	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+2Na"	45.978436
"615790"	456.686318	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+2Na"	45.978436
"1127319"	167.554918	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2Na"	45.978436
"1411209"	112.039037333333	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H+2Na"	46.985712
"1442964"	336.144146	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H+HCOOH"	47.012746
"229012"	317.15364	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+3H2O+2H"	56.04448
"1513794"	350.19619	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+IsoProp+H"	61.06479
"410562"	320.107588	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+Na+K"	61.952376
"772285"	464.673288	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+Na+K"	61.952376
"1674086"	175.541888	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Na+K"	61.952376
"263887"	642.278568	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+ACN+Na"	64.015768
"1233317"	353.147168	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+ACN+Na"	64.015768
"1723296"	353.170693	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+NH4+HCOOH"	64.039293
"1180996"	119.366351333333	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+3Na"	68.967654
"1651981"	358.126088	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Na+HCOOH"	68.994688
"157344"	655.18184	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+2K-H"	76.91904
"600590"	944.31324	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+2K-H"	76.91904
"1088383"	366.05044	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2K-H"	76.91904
"143013"	328.094558	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"2M+2K"	77.926316
"589133"	472.660258	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"3M+2K"	77.926316
"1074737"	183.528858	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2K"	77.926316
"1103574"	368.064992	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2K+H"	78.933592
"1336679"	368.152607	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+DMSO+H"	79.021207
"1007636"	372.191776	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2ACN+H"	83.060376
"1527708"	373.185408	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+IsoProp+Na+H"	84.054008
"1000725"	186.599526	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+2ACN+2H"	84.067652
"1597419"	374.100028	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+K+HCOOH"	84.968628
"1424171"	404.131538	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+H+CF3COOH"	115.000138
"1158832"	207.112801	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+3ACN+2H"	125.094202
"1709479"	421.158085	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+NH4+CF3COOH"	132.026685
"1647317"	426.11348	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+Na+CF3COOH"	136.98208
"1577499"	442.08742	"C10647"	"Balfourodine;()-Balfourodine"	"C16H19NO4"	"289.1314"	"M+K+CF3COOH"	152.95602
"807866"	304.1549	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M"	0
"985776"	285.13651	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-H2O-H"	-19.01839
"68551"	201.762657333333	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M-3H"	-3.021828
"512486"	303.147624	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M-3H"	-3.021828
"895237"	100.377690666667	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-3H"	-3.021828
"14334"	303.147624	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M-2H"	-2.014552
"455109"	455.225074	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M-2H"	-2.014552
"830604"	151.070174	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-2H"	-2.014552
"90232"	607.302524	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M-H"	-1.007276
"530158"	911.457424	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M-H"	-1.007276
"905773"	303.147624	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-H"	-1.007276
"59052"	624.329071	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M-2H+NH4"	16.019271
"495331"	928.483971	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M-2H+NH4"	16.019271
"877388"	320.174171	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-2H+NH4"	16.019271
"43227"	629.284466	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M-2H+Na"	20.974666
"485706"	933.439366	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M-2H+Na"	20.974666
"860227"	325.129566	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-2H+Na"	20.974666
"1630124"	325.129566	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Na-2H"	20.974666
"106650"	321.135963	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M-H+Cl"	33.962126
"548034"	473.213413	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M-H+Cl"	33.962126
"936443"	169.058513	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-H+Cl"	33.962126
"276095"	643.279202	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+Cl"	34.969402
"671069"	947.434102	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+Cl"	34.969402
"1276546"	339.124302	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Cl"	34.969402
"21289"	645.258406	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M-2H+K"	36.948606
"460849"	949.413306	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M-2H+K"	36.948606
"836464"	341.103506	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-2H+K"	36.948606
"1558857"	341.103506	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+K-2H"	36.948606
"946739"	349.153094	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-H+HCOOH"	44.998194
"371516"	653.308001	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+HCOOH-H"	44.998201
"355399"	667.323651	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+Hac-H"	59.013851
"1502048"	363.168751	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Hac-H"	59.013851
"966306"	371.135051	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-H+NaCOOH"	66.980151
"120684"	339.124302	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+2Cl"	69.938804
"560244"	491.201752	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+2Cl"	69.938804
"1034518"	187.046852	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2Cl"	69.938804
"1251909"	383.073785	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Br"	78.918885
"1318368"	385.129772	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Cl+HCOOH"	80.974872
"1333677"	407.111729	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Cl+NaCOOH"	102.956829
"925468"	417.140486	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M-H+CF3COOH"	112.985586
"1303885"	453.117164	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Cl+CF3COOH"	148.962264
"1381794"	269.142224	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H-2H2O"	-35.012676
"1397468"	287.1522	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H-H2O"	-17.0027
"297155"	609.317076	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+H"	1.007276
"688119"	913.471976	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+H"	1.007276
"1361916"	305.162176	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H"	1.007276
"134443"	305.162176	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+2H"	2.014552
"574001"	457.239626	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+2H"	2.014552
"1041713"	153.084726	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2H"	2.014552
"211800"	203.777209333333	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+3H"	3.021828
"651358"	305.162176	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+3H"	3.021828
"1167296"	102.392242666667	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+3H"	3.021828
"429475"	626.343623	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+NH4"	18.033823
"789377"	930.498523	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+NH4"	18.033823
"1683889"	322.188723	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+NH4"	18.033823
"335086"	313.6754495	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+H+NH4"	19.041099
"729694"	465.7528995	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+H+NH4"	19.041099
"1491899"	161.5979995	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H+NH4"	19.041099
"406204"	631.299018	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+Na"	22.989218
"769265"	935.453918	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+Na"	22.989218
"1618326"	327.144118	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Na"	22.989218
"329225"	316.153147	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+H+Na"	23.996494
"720309"	468.230597	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+H+Na"	23.996494
"1469756"	164.075697	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H+Na"	23.996494
"1061908"	109.719556666667	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2H+Na"	25.00377
"1260311"	337.188386	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+CH3OH+H"	33.033486
"383259"	647.272958	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+K"	38.963158
"743161"	951.427858	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+K"	38.963158
"1546306"	343.118058	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+K"	38.963158
"303484"	324.140117	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+H+K"	39.970434
"696999"	476.217567	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+H+K"	39.970434
"1449725"	172.062667	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H+K"	39.970434
"240513"	650.343626	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+ACN+H"	42.033826
"1211279"	346.188726	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+ACN+H"	42.033826
"1200387"	173.598001	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+ACN+2H"	43.041102
"191071"	653.28096	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+2Na-H"	44.97116
"631726"	957.43586	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+2Na-H"	44.97116
"1132556"	349.12606	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2Na-H"	44.97116
"173820"	327.144118	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+2Na"	45.978436
"617722"	479.221568	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+2Na"	45.978436
"1128158"	175.066668	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2Na"	45.978436
"1411319"	117.046870666667	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H+2Na"	46.985712
"1442707"	351.167646	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H+HCOOH"	47.012746
"229122"	332.17714	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+3H2O+2H"	56.04448
"1512445"	365.21969	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+IsoProp+H"	61.06479
"412495"	335.131088	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+Na+K"	61.952376
"773489"	487.208538	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+Na+K"	61.952376
"1668365"	183.053638	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Na+K"	61.952376
"259624"	672.325568	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+ACN+Na"	64.015768
"1235614"	368.170668	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+ACN+Na"	64.015768
"1723406"	368.194193	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+NH4+HCOOH"	64.039293
"1182200"	124.374184666667	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+3Na"	68.967654
"1657559"	373.149588	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Na+HCOOH"	68.994688
"158954"	685.22884	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+2K-H"	76.91904
"601794"	989.38374	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+2K-H"	76.91904
"1088493"	381.07394	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2K-H"	76.91904
"144216"	343.118058	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"2M+2K"	77.926316
"590336"	495.195508	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"3M+2K"	77.926316
"1075942"	191.040608	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2K"	77.926316
"1105870"	383.088492	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2K+H"	78.933592
"1337883"	383.176107	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+DMSO+H"	79.021207
"1008597"	387.215276	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2ACN+H"	83.060376
"1527817"	388.208908	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+IsoProp+Na+H"	84.054008
"999742"	194.111276	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+2ACN+2H"	84.067652
"1595341"	389.123528	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+K+HCOOH"	84.968628
"1423187"	419.155038	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+H+CF3COOH"	115.000138
"1157848"	214.624551	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+3ACN+2H"	125.094202
"1709589"	436.181585	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+NH4+CF3COOH"	132.026685
"1648156"	441.13698	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+Na+CF3COOH"	136.98208
"1577609"	457.11092	"C10648"	"Balfourodinium"	"C17H22NO4"	"304.1549"	"M+K+CF3COOH"	152.95602
"807976"	331.1784	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M"	0
"984793"	312.16001	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-H2O-H"	-19.01839
"68661"	219.778324	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M-3H"	-3.021828
"506033"	330.171124	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M-3H"	-3.021828
"895439"	109.385524	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-3H"	-3.021828
"14811"	330.171124	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M-2H"	-2.014552
"455421"	495.760324	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M-2H"	-2.014552
"831078"	164.581924	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-2H"	-2.014552
"89612"	661.349524	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M-H"	-1.007276
"529903"	992.527924	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M-H"	-1.007276
"907705"	330.171124	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-H"	-1.007276
"58069"	678.376071	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M-2H+NH4"	16.019271
"496536"	1009.554471	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M-2H+NH4"	16.019271
"877984"	347.197671	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-2H+NH4"	16.019271
"44430"	683.331466	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M-2H+Na"	20.974666
"485085"	1014.509866	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M-2H+Na"	20.974666
"862886"	352.153066	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-2H+Na"	20.974666
"1633147"	352.153066	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Na-2H"	20.974666
"107488"	348.159463	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M-H+Cl"	33.962126
"549398"	513.748663	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M-H+Cl"	33.962126
"938739"	182.570263	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-H+Cl"	33.962126
"280941"	697.326202	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+Cl"	34.969402
"670812"	1028.504602	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+Cl"	34.969402
"1274711"	366.147802	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Cl"	34.969402
"21399"	699.305406	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M-2H+K"	36.948606
"464239"	1030.483806	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M-2H+K"	36.948606
"835480"	368.127006	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-2H+K"	36.948606
"1558968"	368.127006	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+K-2H"	36.948606
"945755"	376.176594	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-H+HCOOH"	44.998194
"372719"	707.355001	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+HCOOH-H"	44.998201
"354415"	721.370651	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+Hac-H"	59.013851
"1502158"	390.192251	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Hac-H"	59.013851
"967510"	398.158551	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-H+NaCOOH"	66.980151
"122253"	366.147802	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+2Cl"	69.938804
"559262"	531.737002	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+2Cl"	69.938804
"1029158"	200.558602	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2Cl"	69.938804
"1250926"	410.097285	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Br"	78.918885
"1312281"	412.153272	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Cl+HCOOH"	80.974872
"1330505"	434.135229	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Cl+NaCOOH"	102.956829
"916463"	444.163986	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M-H+CF3COOH"	112.985586
"1296453"	480.140664	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Cl+CF3COOH"	148.962264
"1380811"	296.165724	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H-2H2O"	-35.012676
"1389923"	314.1757	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H-H2O"	-17.0027
"293254"	663.364076	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+H"	1.007276
"682031"	994.542476	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+H"	1.007276
"1359838"	332.185676	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H"	1.007276
"130177"	332.185676	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+2H"	2.014552
"571923"	497.774876	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+2H"	2.014552
"1042911"	166.596476	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2H"	2.014552
"208627"	221.792876	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+3H"	3.021828
"645638"	332.185676	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+3H"	3.021828
"1166312"	111.400076	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+3H"	3.021828
"425331"	680.390623	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+NH4"	18.033823
"785962"	1011.569023	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+NH4"	18.033823
"1684728"	349.212223	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+NH4"	18.033823
"335196"	340.6989495	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+H+NH4"	19.041099
"726887"	506.2881495	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+H+NH4"	19.041099
"1490187"	175.1097495	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H+NH4"	19.041099
"406678"	685.346018	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+Na"	22.989218
"769456"	1016.524418	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+Na"	22.989218
"1617595"	354.167618	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Na"	22.989218
"326903"	343.176647	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+H+Na"	23.996494
"720419"	508.765847	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+H+Na"	23.996494
"1472053"	177.587447	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H+Na"	23.996494
"1059831"	118.72739	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2H+Na"	25.00377
"1259327"	364.211886	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+CH3OH+H"	33.033486
"381546"	701.319958	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+K"	38.963158
"741083"	1032.498358	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+K"	38.963158
"1545323"	370.141558	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+K"	38.963158
"303592"	351.163617	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+H+K"	39.970434
"697109"	516.752817	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+H+K"	39.970434
"1446555"	185.574417	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H+K"	39.970434
"239529"	704.390626	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+ACN+H"	42.033826
"1210293"	373.212226	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+ACN+H"	42.033826
"1195756"	187.109751	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+ACN+2H"	43.041102
"190452"	707.32796	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+2Na-H"	44.97116
"631836"	1038.50636	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+2Na-H"	44.97116
"1132300"	376.14956	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2Na-H"	44.97116
"173037"	354.167618	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+2Na"	45.978436
"616738"	519.756818	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+2Na"	45.978436
"1126810"	188.578418	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2Na"	45.978436
"1410700"	126.054704	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H+2Na"	46.985712
"1440628"	378.191146	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H+HCOOH"	47.012746
"227045"	359.20064	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+3H2O+2H"	56.04448
"1512555"	392.24319	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+IsoProp+H"	61.06479
"412241"	362.154588	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+Na+K"	61.952376
"772506"	527.743788	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+Na+K"	61.952376
"1669203"	196.565388	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Na+K"	61.952376
"256454"	726.372568	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+ACN+Na"	64.015768
"1233537"	395.194168	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+ACN+Na"	64.015768
"1721329"	395.217693	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+NH4+HCOOH"	64.039293
"1181581"	133.382018	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+3Na"	68.967654
"1654388"	400.173088	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Na+HCOOH"	68.994688
"158335"	739.27584	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+2K-H"	76.91904
"599717"	1070.45424	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+2K-H"	76.91904
"1086415"	408.09744	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2K-H"	76.91904
"145420"	370.141558	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"2M+2K"	77.926316
"589352"	535.730758	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"3M+2K"	77.926316
"1071678"	204.552358	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2K"	77.926316
"1111449"	410.111992	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2K+H"	78.933592
"1337627"	410.199607	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+DMSO+H"	79.021207
"1008708"	414.238776	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2ACN+H"	83.060376
"1527196"	415.232408	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+IsoProp+Na+H"	84.054008
"998759"	207.623026	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+2ACN+2H"	84.067652
"1594354"	416.147028	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+K+HCOOH"	84.968628
"1423297"	446.178538	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+H+CF3COOH"	115.000138
"1157958"	228.136301	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+3ACN+2H"	125.094202
"1708606"	463.205085	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+NH4+CF3COOH"	132.026685
"1645349"	468.16048	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+Na+CF3COOH"	136.98208
"1577719"	484.13442	"C10649"	"Bucharaine"	"C19H25NO4"	"331.1784"	"M+K+CF3COOH"	152.95602
"808086"	326.1518	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M"	0
"984903"	307.13341	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-H2O-H"	-19.01839
"68771"	216.427257333333	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M-3H"	-3.021828
"505778"	325.144524	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M-3H"	-3.021828
"895170"	107.709990666667	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-3H"	-3.021828
"15285"	325.144524	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M-2H"	-2.014552
"455519"	488.220424	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M-2H"	-2.014552
"831918"	162.068624	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-2H"	-2.014552
"91910"	651.296324	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M-H"	-1.007276
"529284"	977.448124	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M-H"	-1.007276
"908179"	325.144524	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-H"	-1.007276
"57086"	668.322871	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M-2H+NH4"	16.019271
"495553"	994.474671	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M-2H+NH4"	16.019271
"874449"	342.171071	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-2H+NH4"	16.019271
"46566"	673.278266	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M-2H+Na"	20.974666
"486895"	999.430066	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M-2H+Na"	20.974666
"863485"	347.126466	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-2H+Na"	20.974666
"1632529"	347.126466	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Na-2H"	20.974666
"109057"	343.132863	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M-H+Cl"	33.962126
"549348"	506.208763	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M-H+Cl"	33.962126
"937756"	180.056963	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-H+Cl"	33.962126
"281053"	687.273002	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+Cl"	34.969402
"668736"	1013.424802	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+Cl"	34.969402
"1276766"	361.121202	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Cl"	34.969402
"21509"	689.252206	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M-2H+K"	36.948606
"464349"	1015.404006	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M-2H+K"	36.948606
"834861"	363.100406	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-2H+K"	36.948606
"1557984"	363.100406	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+K-2H"	36.948606
"946230"	371.149994	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-H+HCOOH"	44.998194
"368455"	697.301801	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+HCOOH-H"	44.998201
"355621"	711.317451	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+Hac-H"	59.013851
"1498988"	385.165651	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Hac-H"	59.013851
"969810"	393.131951	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-H+NaCOOH"	66.980151
"122367"	361.121202	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+2Cl"	69.938804
"561559"	524.197102	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+2Cl"	69.938804
"1028175"	198.045302	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2Cl"	69.938804
"1248850"	405.070685	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Br"	78.918885
"1315307"	407.126672	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Cl+HCOOH"	80.974872
"1329886"	429.108629	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Cl+NaCOOH"	102.956829
"920947"	439.137386	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M-H+CF3COOH"	112.985586
"1299479"	475.114064	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Cl+CF3COOH"	148.962264
"1380556"	291.139124	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H-2H2O"	-35.012676
"1388940"	309.1491	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H-H2O"	-17.0027
"291907"	653.310876	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+H"	1.007276
"682507"	979.462676	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+H"	1.007276
"1357396"	327.159076	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H"	1.007276
"132108"	327.159076	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+2H"	2.014552
"574585"	490.234976	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+2H"	2.014552
"1041927"	164.083176	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2H"	2.014552
"208737"	218.441809333333	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+3H"	3.021828
"644288"	327.159076	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+3H"	3.021828
"1163138"	109.724542666667	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+3H"	3.021828
"424506"	670.337423	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+NH4"	18.033823
"785951"	996.489223	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+NH4"	18.033823
"1681318"	344.185623	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+NH4"	18.033823
"330928"	335.6723495	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+H+NH4"	19.041099
"727728"	498.7482495	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+H+NH4"	19.041099
"1485924"	172.5964495	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H+NH4"	19.041099
"400228"	675.292818	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+Na"	22.989218
"761223"	1001.444618	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+Na"	22.989218
"1609323"	349.141018	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Na"	22.989218
"325920"	338.150047	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+H+Na"	23.996494
"715062"	501.225947	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+H+Na"	23.996494
"1469976"	175.074147	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H+Na"	23.996494
"1062130"	117.051856666667	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2H+Na"	25.00377
"1262352"	359.185286	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+CH3OH+H"	33.033486
"381292"	691.266758	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+K"	38.963158
"746662"	1017.418558	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+K"	38.963158
"1551993"	365.114958	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+K"	38.963158
"304796"	346.137017	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+H+K"	39.970434
"697219"	509.212917	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+H+K"	39.970434
"1451041"	183.061117	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H+K"	39.970434
"242921"	694.337426	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+ACN+H"	42.033826
"1210647"	368.185626	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+ACN+H"	42.033826
"1195136"	184.596451	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+ACN+2H"	43.041102
"189467"	697.27476	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+2Na-H"	44.97116
"629514"	1023.42656	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+2Na-H"	44.97116
"1131961"	371.12296	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2Na-H"	44.97116
"173145"	349.141018	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+2Na"	45.978436
"615755"	512.216918	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+2Na"	45.978436
"1126190"	186.065118	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2Na"	45.978436
"1411903"	124.379170666667	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H+2Na"	46.985712
"1440737"	373.164546	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H+HCOOH"	47.012746
"226062"	354.17404	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+3H2O+2H"	56.04448
"1514126"	387.21659	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+IsoProp+H"	61.06479
"414904"	357.127988	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+Na+K"	61.952376
"776993"	520.203888	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+Na+K"	61.952376
"1673323"	194.052088	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Na+K"	61.952376
"260936"	716.319368	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+ACN+Na"	64.015768
"1233647"	390.167568	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+ACN+Na"	64.015768
"1721441"	390.191093	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+NH4+HCOOH"	64.039293
"1181328"	131.706484666667	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+3Na"	68.967654
"1658873"	395.146488	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Na+HCOOH"	68.994688
"160267"	729.22264	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+2K-H"	76.91904
"599826"	1055.37444	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+2K-H"	76.91904
"1086890"	403.07084	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2K-H"	76.91904
"146624"	365.114958	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"2M+2K"	77.926316
"591650"	528.190858	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"3M+2K"	77.926316
"1075068"	202.039058	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2K"	77.926316
"1111559"	405.085392	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2K+H"	78.933592
"1338104"	405.173007	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+DMSO+H"	79.021207
"1007726"	409.212176	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2ACN+H"	83.060376
"1529133"	410.205808	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+IsoProp+Na+H"	84.054008
"999962"	205.109726	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+2ACN+2H"	84.067652
"1595557"	411.120428	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+K+HCOOH"	84.968628
"1423407"	441.151938	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+H+CF3COOH"	115.000138
"1158068"	225.623001	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+3ACN+2H"	125.094202
"1709808"	458.178485	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+NH4+CF3COOH"	132.026685
"1643273"	463.13388	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+Na+CF3COOH"	136.98208
"1577829"	479.10782	"C10650"	"Licarin A;()(-)-trans-Dehydrodiisoeugenol"	"C20H22O4"	"326.1518"	"M+K+CF3COOH"	152.95602
"814393"	266.1307	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M"	0
"985013"	247.11231	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"71068"	176.413190666667	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"503215"	265.123424	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"894509"	87.7029573333333	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"14665"	265.123424	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"454224"	398.188774	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"829842"	132.058074	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"90927"	531.254124	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"530123"	797.384824	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"906103"	265.123424	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"57196"	548.280671	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"494570"	814.411371	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"874559"	282.149971	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"44650"	553.236066	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"485185"	819.366766	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"863105"	287.105366	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1633003"	287.105366	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"108074"	283.111763	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"548972"	416.177113	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"935679"	150.046413	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"279706"	567.230802	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"671400"	833.361502	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1279066"	301.100102	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"23807"	569.210006	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"461180"	835.340706	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"837887"	303.079306	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1559187"	303.079306	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"947071"	311.128894	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"367474"	577.259601	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"350265"	591.275251	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1500192"	325.144551	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"971744"	333.110851	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"123570"	301.100102	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"563127"	434.165452	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1027192"	168.034752	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1250053"	345.049585	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1312503"	347.105572	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1326718"	369.087529	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"921057"	379.116286	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1302142"	415.092964	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1375928"	231.118024	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1390143"	249.128	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"286551"	533.268676	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"677880"	799.399376	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1359696"	267.137976	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"134042"	267.137976	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"576882"	400.203326	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1040945"	134.072626	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"205567"	178.427742666667	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"644883"	267.137976	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1162922"	89.7175093333333	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"424412"	550.295223	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"785812"	816.425923	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1681345"	284.164523	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"332131"	275.6512495	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"727838"	408.7165995	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1484211"	142.5858995	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"400338"	555.250618	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"761333"	821.381318	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1614900"	289.119918	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"326031"	278.128947	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"717361"	411.194297	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1473367"	145.063597	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1061147"	97.0448233333333	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1259182"	299.164186	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"379216"	571.224558	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"744585"	837.355258	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1550646"	305.093858	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"302721"	286.115917	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"696236"	419.181267	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1447870"	153.050567	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"235712"	574.295226	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1209932"	308.164526	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1194515"	154.585901	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"188764"	577.23256	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"629017"	843.36326	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1131380"	311.10186	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"173168"	289.119918	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"615865"	422.185268	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1126300"	156.054568	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1409826"	104.372137333333	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1441576"	313.143446	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"230546"	294.15294	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1517516"	327.19549	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"415014"	297.106888	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"780385"	430.172238	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1672340"	164.041538	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"263234"	596.277168	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1238133"	330.146468	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1727019"	330.169993	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1186906"	111.699451333333	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1654611"	335.125388	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"164753"	609.18044	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"601034"	875.31114	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1091013"	343.04974	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"145641"	305.093858	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"583015"	438.159208	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1070441"	172.028508	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1104014"	345.064292	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1336149"	345.151907	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1007839"	349.191076	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1525963"	350.184708	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"1000072"	175.099176	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1594574"	351.099328	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1426797"	381.130838	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1159271"	195.612451	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1712471"	398.157385	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1645570"	403.11278	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1577939"	419.08672	"C10651"	"Magnolol"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"805026"	331.1784	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M"	0
"982935"	312.16001	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-H2O-H"	-19.01839
"65710"	219.778324	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M-3H"	-3.021828
"506364"	330.171124	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M-3H"	-3.021828
"881978"	109.385524	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-3H"	-3.021828
"13317"	330.171124	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M-2H"	-2.014552
"452875"	495.760324	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M-2H"	-2.014552
"829952"	164.581924	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-2H"	-2.014552
"90310"	661.349524	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M-H"	-1.007276
"529504"	992.527924	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M-H"	-1.007276
"906213"	330.171124	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-H"	-1.007276
"57306"	678.376071	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M-2H+NH4"	16.019271
"495774"	1009.554471	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M-2H+NH4"	16.019271
"871388"	347.197671	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-2H+NH4"	16.019271
"43668"	683.331466	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M-2H+Na"	20.974666
"484322"	1014.509866	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M-2H+Na"	20.974666
"862123"	352.153066	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-2H+Na"	20.974666
"1632511"	352.153066	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Na-2H"	20.974666
"108797"	348.159463	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M-H+Cl"	33.962126
"548841"	513.748663	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M-H+Cl"	33.962126
"939436"	182.570263	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-H+Cl"	33.962126
"279816"	697.326202	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+Cl"	34.969402
"671510"	1028.504602	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+Cl"	34.969402
"1281362"	366.147802	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Cl"	34.969402
"23553"	699.305406	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M-2H+K"	36.948606
"462383"	1030.483806	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M-2H+K"	36.948606
"836903"	368.127006	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-2H+K"	36.948606
"1557473"	368.127006	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+K-2H"	36.948606
"948273"	376.176594	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-H+HCOOH"	44.998194
"370864"	707.355001	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+HCOOH-H"	44.998201
"355839"	721.370651	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+Hac-H"	59.013851
"1502489"	390.192251	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Hac-H"	59.013851
"971855"	398.158551	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-H+NaCOOH"	66.980151
"123316"	366.147802	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+2Cl"	69.938804
"562509"	531.737002	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+2Cl"	69.938804
"1030582"	200.558602	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2Cl"	69.938804
"1246883"	410.097285	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Br"	78.918885
"1307146"	412.153272	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Cl+HCOOH"	80.974872
"1326828"	434.135229	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Cl+NaCOOH"	102.956829
"921167"	444.163986	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M-H+CF3COOH"	112.985586
"1300065"	480.140664	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Cl+CF3COOH"	148.962264
"1376038"	296.165724	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H-2H2O"	-35.012676
"1386973"	314.1757	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H-H2O"	-17.0027
"289941"	663.364076	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+H"	1.007276
"679083"	994.542476	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+H"	1.007276
"1359806"	332.185676	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H"	1.007276
"136703"	332.185676	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+2H"	2.014552
"579179"	497.774876	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+2H"	2.014552
"1043242"	166.596476	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2H"	2.014552
"208957"	221.792876	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+3H"	3.021828
"645600"	332.185676	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+3H"	3.021828
"1163602"	111.400076	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+3H"	3.021828
"424561"	680.390623	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+NH4"	18.033823
"786048"	1011.569023	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+NH4"	18.033823
"1681646"	349.212223	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+NH4"	18.033823
"331268"	340.6989495	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+H+NH4"	19.041099
"725758"	506.2881495	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+H+NH4"	19.041099
"1488330"	175.1097495	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H+NH4"	19.041099
"403728"	685.346018	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+Na"	22.989218
"762536"	1016.524418	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+Na"	22.989218
"1614644"	354.167618	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Na"	22.989218
"321766"	343.176647	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+H+Na"	23.996494
"718564"	508.765847	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+H+Na"	23.996494
"1475664"	177.587447	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H+Na"	23.996494
"1061256"	118.72739	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2H+Na"	25.00377
"1261115"	364.211886	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+CH3OH+H"	33.033486
"383700"	701.319958	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+K"	38.963158
"745789"	1032.498358	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+K"	38.963158
"1548934"	370.141558	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+K"	38.963158
"302833"	351.163617	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+H+K"	39.970434
"698534"	516.752817	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+H+K"	39.970434
"1447981"	185.574417	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H+K"	39.970434
"236583"	704.390626	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+ACN+H"	42.033826
"1211475"	373.212226	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+ACN+H"	42.033826
"1194341"	187.109751	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+ACN+2H"	43.041102
"188831"	707.32796	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+2Na-H"	44.97116
"628842"	1038.50636	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+2Na-H"	44.97116
"1131488"	376.14956	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2Na-H"	44.97116
"172897"	354.167618	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+2Na"	45.978436
"614394"	519.756818	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+2Na"	45.978436
"1126410"	188.578418	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2Na"	45.978436
"1413098"	126.054704	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H+2Na"	46.985712
"1441686"	378.191146	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H+HCOOH"	47.012746
"234059"	359.20064	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+3H2O+2H"	56.04448
"1517626"	392.24319	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+IsoProp+H"	61.06479
"420591"	362.154588	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+Na+K"	61.952376
"780495"	527.743788	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+Na+K"	61.952376
"1674637"	196.565388	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Na+K"	61.952376
"263343"	726.372568	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+ACN+Na"	64.015768
"1238241"	395.194168	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+ACN+Na"	64.015768
"1723848"	395.217693	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+NH4+HCOOH"	64.039293
"1188108"	133.382018	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+3Na"	68.967654
"1656907"	400.173088	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Na+HCOOH"	68.994688
"163770"	739.27584	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+2K-H"	76.91904
"600414"	1070.45424	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+2K-H"	76.91904
"1085655"	408.09744	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2K-H"	76.91904
"145751"	370.141558	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"2M+2K"	77.926316
"582517"	535.730758	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"3M+2K"	77.926316
"1070916"	204.552358	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2K"	77.926316
"1104124"	410.111992	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2K+H"	78.933592
"1336259"	410.199607	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+DMSO+H"	79.021207
"1007948"	414.238776	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2ACN+H"	83.060376
"1525101"	415.232408	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+IsoProp+Na+H"	84.054008
"993620"	207.623026	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+2ACN+2H"	84.067652
"1594684"	416.147028	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+K+HCOOH"	84.968628
"1425814"	446.178538	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+H+CF3COOH"	115.000138
"1157195"	228.136301	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+3ACN+2H"	125.094202
"1711122"	463.205085	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+NH4+CF3COOH"	132.026685
"1645680"	468.16048	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+Na+CF3COOH"	136.98208
"1578049"	484.13442	"C10652"	"Bucharidine"	"C19H25NO4"	"331.1784"	"M+K+CF3COOH"	152.95602
"805136"	355.142	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M"	0
"985231"	336.12361	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-H2O-H"	-19.01839
"68006"	235.754057333333	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M-3H"	-3.021828
"505380"	354.134724	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M-3H"	-3.021828
"882088"	117.373390666667	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-3H"	-3.021828
"15371"	354.134724	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M-2H"	-2.014552
"452256"	531.705724	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M-2H"	-2.014552
"831519"	176.563724	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-2H"	-2.014552
"91148"	709.276724	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M-H"	-1.007276
"528521"	1064.418724	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M-H"	-1.007276
"906323"	354.134724	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-H"	-1.007276
"59603"	726.303271	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M-2H+NH4"	16.019271
"498070"	1081.445271	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M-2H+NH4"	16.019271
"873684"	371.161271	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-2H+NH4"	16.019271
"44507"	731.258666	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M-2H+Na"	20.974666
"485162"	1086.400666	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M-2H+Na"	20.974666
"863328"	376.116666	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-2H+Na"	20.974666
"1632130"	376.116666	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Na-2H"	20.974666
"109029"	372.123063	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M-H+Cl"	33.962126
"549436"	549.694063	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M-H+Cl"	33.962126
"938087"	194.552063	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-H+Cl"	33.962126
"279562"	745.253402	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+Cl"	34.969402
"670527"	1100.395402	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+Cl"	34.969402
"1280380"	390.111402	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Cl"	34.969402
"24757"	747.232606	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M-2H+K"	36.948606
"461400"	1102.374606	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M-2H+K"	36.948606
"834825"	392.090606	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-2H+K"	36.948606
"1557947"	392.090606	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+K-2H"	36.948606
"945467"	400.140194	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-H+HCOOH"	44.998194
"368785"	755.282201	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+HCOOH-H"	44.998201
"353034"	769.297851	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+Hac-H"	59.013851
"1502964"	414.155851	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Hac-H"	59.013851
"969776"	422.122151	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-H+NaCOOH"	66.980151
"123790"	390.111402	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+2Cl"	69.938804
"562255"	567.682402	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+2Cl"	69.938804
"1030692"	212.540402	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2Cl"	69.938804
"1250275"	434.060885	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Br"	78.918885
"1313817"	436.116872	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Cl+HCOOH"	80.974872
"1330220"	458.098829	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Cl+NaCOOH"	102.956829
"925287"	468.127586	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M-H+CF3COOH"	112.985586
"1301268"	504.104264	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Cl+CF3COOH"	148.962264
"1378335"	320.129324	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H-2H2O"	-35.012676
"1385260"	338.1393	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H-H2O"	-17.0027
"285313"	711.291276	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+H"	1.007276
"678463"	1066.433276	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+H"	1.007276
"1352625"	356.149276	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H"	1.007276
"136082"	356.149276	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+2H"	2.014552
"576737"	533.720276	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+2H"	2.014552
"1041164"	178.578276	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2H"	2.014552
"205785"	237.768609333333	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+3H"	3.021828
"644253"	356.149276	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+3H"	3.021828
"1164926"	119.387942666667	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+3H"	3.021828
"424551"	728.317823	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+NH4"	18.033823
"786035"	1083.459823	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+NH4"	18.033823
"1681394"	373.175823	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+NH4"	18.033823
"332351"	364.6625495	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+H+NH4"	19.041099
"726961"	542.2335495	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+H+NH4"	19.041099
"1485156"	187.0915495	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H+NH4"	19.041099
"400558"	733.273218	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+Na"	22.989218
"769416"	1088.415218	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+Na"	22.989218
"1611840"	378.131218	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Na"	22.989218
"322971"	367.140247	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+H+Na"	23.996494
"718674"	544.711247	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+H+Na"	23.996494
"1473587"	189.569247	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H+Na"	23.996494
"1058085"	126.715256666667	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2H+Na"	25.00377
"1261955"	388.175486	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+CH3OH+H"	33.033486
"382717"	749.247158	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+K"	38.963158
"749179"	1104.389158	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+K"	38.963158
"1553417"	394.105158	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+K"	38.963158
"307316"	375.127217	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+H+K"	39.970434
"697551"	552.698217	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+H+K"	39.970434
"1452464"	197.556217	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H+K"	39.970434
"236086"	752.317826	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+ACN+H"	42.033826
"1210856"	397.175826	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+ACN+H"	42.033826
"1194491"	199.091551	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+ACN+2H"	43.041102
"188859"	755.25516	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+2Na-H"	44.97116
"628991"	1110.39716	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+2Na-H"	44.97116
"1132005"	400.11316	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2Na-H"	44.97116
"173591"	378.131218	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+2Na"	45.978436
"614627"	555.702218	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+2Na"	45.978436
"1125792"	200.560218	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2Na"	45.978436
"1412965"	134.042570666667	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H+2Na"	46.985712
"1442161"	402.154746	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H+HCOOH"	47.012746
"233927"	383.16424	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+3H2O+2H"	56.04448
"1517735"	416.20679	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+IsoProp+H"	61.06479
"422523"	386.118188	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+Na+K"	61.952376
"781700"	563.689188	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+Na+K"	61.952376
"1675843"	208.547188	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Na+K"	61.952376
"261266"	774.299768	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+ACN+Na"	64.015768
"1236163"	419.157768	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+ACN+Na"	64.015768
"1722863"	419.181293	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+NH4+HCOOH"	64.039293
"1183116"	141.369884666667	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+3Na"	68.967654
"1654831"	424.136688	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Na+HCOOH"	68.994688
"162787"	787.20304	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+2K-H"	76.91904
"600525"	1142.34504	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+2K-H"	76.91904
"1089411"	432.06104	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2K-H"	76.91904
"144770"	394.105158	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"2M+2K"	77.926316
"583601"	571.676158	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"3M+2K"	77.926316
"1069934"	216.534158	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2K"	77.926316
"1104235"	434.075592	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2K+H"	78.933592
"1335761"	434.163207	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+DMSO+H"	79.021207
"1006478"	438.202376	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2ACN+H"	83.060376
"1526183"	439.196008	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+IsoProp+Na+H"	84.054008
"993730"	219.604826	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+2ACN+2H"	84.067652
"1593701"	440.110628	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+K+HCOOH"	84.968628
"1425924"	470.142138	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+H+CF3COOH"	115.000138
"1155119"	240.118101	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+3ACN+2H"	125.094202
"1711232"	487.168685	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+NH4+CF3COOH"	132.026685
"1648706"	492.12408	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+Na+CF3COOH"	136.98208
"1581439"	508.09802	"C10653"	"Buntanine"	"C20H21NO5"	"355.142"	"M+K+CF3COOH"	152.95602
"805246"	233.0688	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M"	0
"982061"	214.05041	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-H2O-H"	-19.01839
"69209"	154.371924	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M-3H"	-3.021828
"508768"	232.061524	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M-3H"	-3.021828
"883291"	76.682324	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-3H"	-3.021828
"9526"	232.061524	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M-2H"	-2.014552
"446898"	348.595924	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M-2H"	-2.014552
"818011"	115.527124	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-2H"	-2.014552
"84691"	465.130324	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M-H"	-1.007276
"526440"	698.199124	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M-H"	-1.007276
"899867"	232.061524	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-H"	-1.007276
"57524"	482.156871	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M-2H+NH4"	16.019271
"494897"	715.225671	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M-2H+NH4"	16.019271
"872700"	249.088071	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-2H+NH4"	16.019271
"44982"	487.112266	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M-2H+Na"	20.974666
"486000"	720.181066	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M-2H+Na"	20.974666
"860884"	254.043466	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-2H+Na"	20.974666
"1633576"	254.043466	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Na-2H"	20.974666
"106214"	250.049863	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M-H+Cl"	33.962126
"545410"	366.584263	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M-H+Cl"	33.962126
"931635"	133.515463	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-H+Cl"	33.962126
"277483"	501.107002	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+Cl"	34.969402
"671730"	734.175802	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+Cl"	34.969402
"1279397"	268.038202	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Cl"	34.969402
"24137"	503.086206	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M-2H+K"	36.948606
"463697"	736.155006	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M-2H+K"	36.948606
"835664"	270.017406	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-2H+K"	36.948606
"1557693"	270.017406	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+K-2H"	36.948606
"945577"	278.066994	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-H+HCOOH"	44.998194
"368895"	511.135801	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+HCOOH-H"	44.998201
"356059"	525.151451	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+Hac-H"	59.013851
"1500521"	292.082651	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Hac-H"	59.013851
"965876"	300.048951	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-H+NaCOOH"	66.980151
"123172"	268.038202	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+2Cl"	69.938804
"562000"	384.572602	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+2Cl"	69.938804
"1031895"	151.503802	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2Cl"	69.938804
"1250385"	311.987685	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Br"	78.918885
"1312833"	314.043672	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Cl+HCOOH"	80.974872
"1330329"	336.025629	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Cl+NaCOOH"	102.956829
"924668"	346.054386	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M-H+CF3COOH"	112.985586
"1300281"	382.031064	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Cl+CF3COOH"	148.962264
"1376256"	198.056124	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H-2H2O"	-35.012676
"1384642"	216.0661	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H-H2O"	-17.0027
"283963"	467.144876	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+H"	1.007276
"676750"	700.213676	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+H"	1.007276
"1352371"	234.076076	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H"	1.007276
"128172"	234.076076	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+2H"	2.014552
"567009"	350.610476	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+2H"	2.014552
"1037995"	117.541676	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2H"	2.014552
"206627"	156.386476	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+3H"	3.021828
"644358"	234.076076	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+3H"	3.021828
"1163455"	78.696876	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+3H"	3.021828
"425146"	484.171423	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+NH4"	18.033823
"786020"	717.240223	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+NH4"	18.033823
"1683091"	251.102623	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+NH4"	18.033823
"332465"	242.5893495	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+H+NH4"	19.041099
"723426"	359.1237495	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+H+NH4"	19.041099
"1484173"	126.0549495	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H+NH4"	19.041099
"403948"	489.126818	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+Na"	22.989218
"769646"	722.195618	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+Na"	22.989218
"1614137"	256.058018	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Na"	22.989218
"325267"	245.067047	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+H+Na"	23.996494
"718784"	361.601447	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+H+Na"	23.996494
"1472603"	128.532647	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H+Na"	23.996494
"1059289"	86.02419	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2H+Na"	25.00377
"1260971"	266.102286	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+CH3OH+H"	33.033486
"385013"	505.100758	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+K"	38.963158
"742728"	738.169558	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+K"	38.963158
"1550247"	272.031958	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+K"	38.963158
"311798"	253.054017	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+H+K"	39.970434
"699846"	369.588417	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+H+K"	39.970434
"1451480"	136.519617	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H+K"	39.970434
"237283"	508.171426	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+ACN+H"	42.033826
"1211814"	275.102626	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+ACN+H"	42.033826
"1195575"	138.054951	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+ACN+2H"	43.041102
"190507"	511.10876	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+2Na-H"	44.97116
"629704"	744.17756	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+2Na-H"	44.97116
"1131832"	278.03996	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2Na-H"	44.97116
"173742"	256.058018	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+2Na"	45.978436
"614736"	372.592418	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+2Na"	45.978436
"1123350"	139.523618	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2Na"	45.978436
"1410886"	93.351504	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H+2Na"	46.985712
"1440087"	280.081546	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H+HCOOH"	47.012746
"233063"	261.09104	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+3H2O+2H"	56.04448
"1517845"	294.13359	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+IsoProp+H"	61.06479
"418624"	264.044988	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+Na+K"	61.952376
"782904"	380.579388	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+Na+K"	61.952376
"1678869"	147.510588	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Na+K"	61.952376
"264659"	530.153368	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+ACN+Na"	64.015768
"1235182"	297.084568	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+ACN+Na"	64.015768
"1722974"	297.108093	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+NH4+HCOOH"	64.039293
"1184320"	100.678818	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+3Na"	68.967654
"1658222"	302.063488	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Na+HCOOH"	68.994688
"162897"	543.05664	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+2K-H"	76.91904
"598813"	776.12544	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+2K-H"	76.91904
"1089887"	309.98784	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2K-H"	76.91904
"147068"	272.031958	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"2M+2K"	77.926316
"583712"	388.566358	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"3M+2K"	77.926316
"1070771"	155.497558	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2K"	77.926316
"1102158"	312.002392	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2K+H"	78.933592
"1337202"	312.090007	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+DMSO+H"	79.021207
"1006463"	316.129176	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2ACN+H"	83.060376
"1527383"	317.122808	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+IsoProp+Na+H"	84.054008
"992747"	158.568226	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+2ACN+2H"	84.067652
"1593811"	318.037428	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+K+HCOOH"	84.968628
"1424941"	348.068938	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+H+CF3COOH"	115.000138
"1157415"	179.081501	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+3ACN+2H"	125.094202
"1711342"	365.095485	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+NH4+CF3COOH"	132.026685
"1648088"	370.05088	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+Na+CF3COOH"	136.98208
"1581549"	386.02482	"C10654"	"Casimiroin"	"C12H11NO4"	"233.0688"	"M+K+CF3COOH"	152.95602
"808636"	307.1208	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M"	0
"984358"	288.10241	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-H2O-H"	-19.01839
"69319"	203.739924	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M-3H"	-3.021828
"511065"	306.113524	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M-3H"	-3.021828
"883761"	101.366324	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-3H"	-3.021828
"10366"	306.113524	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M-2H"	-2.014552
"448101"	459.673924	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M-2H"	-2.014552
"818975"	152.553124	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-2H"	-2.014552
"84801"	613.234324	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M-H"	-1.007276
"519982"	920.355124	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M-H"	-1.007276
"896814"	306.113524	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-H"	-1.007276
"48884"	630.260871	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M-2H+NH4"	16.019271
"499017"	937.381671	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M-2H+NH4"	16.019271
"871715"	323.140071	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-2H+NH4"	16.019271
"45821"	635.216266	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M-2H+Na"	20.974666
"486477"	942.337066	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M-2H+Na"	20.974666
"862452"	328.095466	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-2H+Na"	20.974666
"1631984"	328.095466	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Na-2H"	20.974666
"105231"	324.101863	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M-H+Cl"	33.962126
"545520"	477.662263	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M-H+Cl"	33.962126
"937212"	170.541463	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-H+Cl"	33.962126
"276499"	649.211002	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+Cl"	34.969402
"674392"	956.331802	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+Cl"	34.969402
"1281695"	342.090202	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Cl"	34.969402
"22061"	651.190206	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M-2H+K"	36.948606
"463807"	958.311006	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M-2H+K"	36.948606
"839419"	344.069406	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-2H+K"	36.948606
"1560719"	344.069406	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+K-2H"	36.948606
"947144"	352.118994	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-H+HCOOH"	44.998194
"367183"	659.239801	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+HCOOH-H"	44.998201
"355076"	673.255451	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+Hac-H"	59.013851
"1499538"	366.134651	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Hac-H"	59.013851
"964892"	374.100951	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-H+NaCOOH"	66.980151
"122184"	342.090202	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+2Cl"	69.938804
"561745"	495.650602	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+2Cl"	69.938804
"1032735"	188.529802	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2Cl"	69.938804
"1252319"	386.039685	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Br"	78.918885
"1314036"	388.095672	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Cl+HCOOH"	80.974872
"1333722"	410.077629	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Cl+NaCOOH"	102.956829
"926966"	420.106386	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M-H+CF3COOH"	112.985586
"1302215"	456.083064	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Cl+CF3COOH"	148.962264
"1381470"	272.108124	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H-2H2O"	-35.012676
"1386212"	290.1181	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H-H2O"	-17.0027
"284926"	615.248876	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+H"	1.007276
"678320"	922.369676	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+H"	1.007276
"1352724"	308.128076	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H"	1.007276
"128651"	308.128076	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+2H"	2.014552
"571491"	461.688476	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+2H"	2.014552
"1039199"	154.567676	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2H"	2.014552
"206372"	205.754476	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+3H"	3.021828
"645688"	308.128076	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+3H"	3.021828
"1164784"	103.380876	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+3H"	3.021828
"424772"	632.275423	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+NH4"	18.033823
"794529"	939.396223	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+NH4"	18.033823
"1683932"	325.154623	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+NH4"	18.033823
"331237"	316.6413495	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+H+NH4"	19.041099
"736663"	470.2017495	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+H+NH4"	19.041099
"1489754"	163.0809495	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H+NH4"	19.041099
"404058"	637.230818	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+Na"	22.989218
"768340"	944.351618	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+Na"	22.989218
"1617896"	330.110018	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Na"	22.989218
"325377"	319.119047	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+H+Na"	23.996494
"721690"	472.679447	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+H+Na"	23.996494
"1471622"	165.558647	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H+Na"	23.996494
"1061589"	110.70819	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2H+Na"	25.00377
"1259015"	340.154286	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+CH3OH+H"	33.033486
"384029"	653.204758	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+K"	38.963158
"741745"	960.325558	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+K"	38.963158
"1549265"	346.083958	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+K"	38.963158
"308628"	327.106017	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+H+K"	39.970434
"695582"	480.666417	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+H+K"	39.970434
"1445688"	173.545617	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H+K"	39.970434
"236297"	656.275426	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+ACN+H"	42.033826
"1211070"	349.154626	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+ACN+H"	42.033826
"1194468"	175.080951	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+ACN+2H"	43.041102
"189080"	659.21276	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+2Na-H"	44.97116
"629082"	966.33356	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+2Na-H"	44.97116
"1131737"	352.09196	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2Na-H"	44.97116
"172972"	330.110018	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+2Na"	45.978436
"616669"	483.670418	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+2Na"	45.978436
"1123460"	176.549618	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2Na"	45.978436
"1413184"	118.035504	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H+2Na"	46.985712
"1445265"	354.133546	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H+HCOOH"	47.012746
"233540"	335.14304	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+3H2O+2H"	56.04448
"1518684"	368.18559	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+IsoProp+H"	61.06479
"421287"	338.096988	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+Na+K"	61.952376
"783014"	491.657388	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+Na+K"	61.952376
"1680072"	184.536588	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Na+K"	61.952376
"260396"	678.257368	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+ACN+Na"	64.015768
"1235292"	371.136568	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+ACN+Na"	64.015768
"1720169"	371.160093	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+NH4+HCOOH"	64.039293
"1187346"	125.362818	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+3Na"	68.967654
"1655416"	376.115488	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Na+HCOOH"	68.994688
"164100"	691.16064	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+2K-H"	76.91904
"603663"	998.28144	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+2K-H"	76.91904
"1089269"	384.03984	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2K-H"	76.91904
"147178"	346.083958	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"2M+2K"	77.926316
"584552"	499.644358	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"3M+2K"	77.926316
"1069790"	192.523558	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2K"	77.926316
"1103364"	386.054392	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2K+H"	78.933592
"1336462"	386.142007	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+DMSO+H"	79.021207
"1007545"	390.181176	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2ACN+H"	83.060376
"1526765"	391.174808	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+IsoProp+Na+H"	84.054008
"992857"	195.594226	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+2ACN+2H"	84.067652
"1593921"	392.089428	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+K+HCOOH"	84.968628
"1425051"	422.120938	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+H+CF3COOH"	115.000138
"1153150"	216.107501	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+3ACN+2H"	125.094202
"1711452"	439.147485	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+NH4+CF3COOH"	132.026685
"1648197"	444.10288	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+Na+CF3COOH"	136.98208
"1581659"	460.07682	"C10655"	"Cusparine"	"C19H17NO3"	"307.1208"	"M+K+CF3COOH"	152.95602
"808746"	172.1	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M"	0
"987748"	153.08161	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-H2O-H"	-19.01839
"74896"	113.726057333333	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M-3H"	-3.021828
"510081"	171.092724	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M-3H"	-3.021828
"883509"	56.3593906666667	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-3H"	-3.021828
"5368"	171.092724	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M-2H"	-2.014552
"447118"	257.142724	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M-2H"	-2.014552
"817991"	85.042724	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-2H"	-2.014552
"86006"	343.192724	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M-H"	-1.007276
"526660"	515.292724	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M-H"	-1.007276
"895866"	171.092724	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-H"	-1.007276
"48994"	360.219271	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M-2H+NH4"	16.019271
"497304"	532.319271	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M-2H+NH4"	16.019271
"871825"	188.119271	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-2H+NH4"	16.019271
"46786"	365.174666	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M-2H+Na"	20.974666
"487027"	537.274666	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M-2H+Na"	20.974666
"861833"	193.074666	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-2H+Na"	20.974666
"1632094"	193.074666	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Na-2H"	20.974666
"104613"	189.081063	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M-H+Cl"	33.962126
"545630"	275.131063	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M-H+Cl"	33.962126
"936958"	103.031063	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-H+Cl"	33.962126
"275879"	379.169402	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+Cl"	34.969402
"670493"	551.269402	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+Cl"	34.969402
"1277431"	207.069402	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Cl"	34.969402
"22174"	381.148606	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M-2H+K"	36.948606
"460639"	553.248606	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M-2H+K"	36.948606
"838803"	209.048606	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-2H+K"	36.948606
"1563017"	209.048606	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+K-2H"	36.948606
"948714"	217.098194	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-H+HCOOH"	44.998194
"365838"	389.198201	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+HCOOH-H"	44.998201
"351908"	403.213851	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+Hac-H"	59.013851
"1501836"	231.113851	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Hac-H"	59.013851
"966096"	239.080151	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-H+NaCOOH"	66.980151
"119378"	207.069402	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+2Cl"	69.938804
"562219"	293.119402	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+2Cl"	69.938804
"1031756"	121.019402	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2Cl"	69.938804
"1249511"	251.018885	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Br"	78.918885
"1313053"	253.074872	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Cl+HCOOH"	80.974872
"1330549"	275.056829	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Cl+NaCOOH"	102.956829
"922700"	285.085586	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M-H+CF3COOH"	112.985586
"1298314"	321.062264	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Cl+CF3COOH"	148.962264
"1376478"	137.087324	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H-2H2O"	-35.012676
"1383200"	155.0973	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H-H2O"	-17.0027
"287100"	345.207276	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+H"	1.007276
"679519"	517.307276	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+H"	1.007276
"1356965"	173.107276	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H"	1.007276
"132043"	173.107276	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+2H"	2.014552
"568685"	259.157276	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+2H"	2.014552
"1038944"	87.057276	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2H"	2.014552
"208304"	115.740609333333	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+3H"	3.021828
"645677"	173.107276	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+3H"	3.021828
"1163191"	58.3739426666667	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+3H"	3.021828
"424314"	362.233823	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+NH4"	18.033823
"785703"	534.333823	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+NH4"	18.033823
"1684042"	190.133823	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+NH4"	18.033823
"331954"	181.6205495	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+H+NH4"	19.041099
"736044"	267.6705495	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+H+NH4"	19.041099
"1491809"	95.5705495	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H+NH4"	19.041099
"403075"	367.189218	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+Na"	22.989218
"765165"	539.289218	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+Na"	22.989218
"1617641"	195.089218	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Na"	22.989218
"321114"	184.098247	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+H+Na"	23.996494
"720949"	270.148247	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+H+Na"	23.996494
"1471732"	98.048247	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H+Na"	23.996494
"1061700"	65.7012566666667	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2H+Na"	25.00377
"1265564"	205.133486	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+CH3OH+H"	33.033486
"384139"	383.163158	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+K"	38.963158
"745136"	555.263158	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+K"	38.963158
"1547189"	211.063158	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+K"	38.963158
"308737"	192.085217	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+H+K"	39.970434
"695692"	278.135217	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+H+K"	39.970434
"1446958"	106.035217	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H+K"	39.970434
"236294"	386.233826	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+ACN+H"	42.033826
"1210574"	214.133826	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+ACN+H"	42.033826
"1194194"	107.570551	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+ACN+2H"	43.041102
"189025"	389.17116	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+2Na-H"	44.97116
"628830"	561.27116	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+2Na-H"	44.97116
"1131394"	217.07116	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2Na-H"	44.97116
"172961"	195.089218	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+2Na"	45.978436
"618967"	281.139218	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+2Na"	45.978436
"1124663"	109.039218	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2Na"	45.978436
"1413983"	73.0285706666667	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H+2Na"	46.985712
"1445596"	219.112746	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H+HCOOH"	47.012746
"235310"	200.12224	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+3H2O+2H"	56.04448
"1520981"	233.16479	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+IsoProp+H"	61.06479
"420303"	203.076188	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+Na+K"	61.952376
"784218"	289.126188	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+Na+K"	61.952376
"1678361"	117.026188	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Na+K"	61.952376
"260506"	408.215768	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+ACN+Na"	64.015768
"1237589"	236.115768	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+ACN+Na"	64.015768
"1719185"	236.139293	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+NH4+HCOOH"	64.039293
"1187456"	80.3558846666667	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+3Na"	68.967654
"1655162"	241.094688	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Na+HCOOH"	68.994688
"164574"	421.11904	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+2K-H"	76.91904
"603773"	593.21904	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+2K-H"	76.91904
"1087556"	249.01904	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2K-H"	76.91904
"145101"	211.063158	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"2M+2K"	77.926316
"585755"	297.113158	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"3M+2K"	77.926316
"1072453"	125.013158	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2K"	77.926316
"1104565"	251.033592	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2K+H"	78.933592
"1336823"	251.121207	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+DMSO+H"	79.021207
"1008390"	255.160376	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2ACN+H"	83.060376
"1526514"	256.154008	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+IsoProp+Na+H"	84.054008
"994060"	128.083826	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+2ACN+2H"	84.067652
"1594031"	257.068628	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+K+HCOOH"	84.968628
"1428441"	287.100138	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+H+CF3COOH"	115.000138
"1153260"	148.597101	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+3ACN+2H"	125.094202
"1711561"	304.126685	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+NH4+CF3COOH"	132.026685
"1648305"	309.08208	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+Na+CF3COOH"	136.98208
"1578489"	325.05602	"C10656"	"Deoxypeganine;3-Deoxyvasicine"	"C11H12N2"	"172.1"	"M+K+CF3COOH"	152.95602
"805576"	432.2148	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M"	0
"985671"	413.19641	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-H2O-H"	-19.01839
"71726"	287.135924	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M-3H"	-3.021828
"505816"	431.207524	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M-3H"	-3.021828
"883620"	143.064324	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-3H"	-3.021828
"8756"	431.207524	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M-2H"	-2.014552
"450509"	647.314924	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M-2H"	-2.014552
"819561"	215.100124	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-2H"	-2.014552
"88303"	863.422324	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M-H"	-1.007276
"526770"	1295.637124	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M-H"	-1.007276
"895939"	431.207524	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-H"	-1.007276
"52384"	880.448871	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M-2H+NH4"	16.019271
"497414"	1312.663671	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M-2H+NH4"	16.019271
"871935"	448.234071	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-2H+NH4"	16.019271
"45922"	885.404266	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M-2H+Na"	20.974666
"485970"	1317.619066	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M-2H+Na"	20.974666
"862307"	453.189466	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-2H+Na"	20.974666
"1633544"	453.189466	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Na-2H"	20.974666
"105816"	449.195863	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M-H+Cl"	33.962126
"547199"	665.303263	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M-H+Cl"	33.962126
"938891"	233.088463	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-H+Cl"	33.962126
"276719"	899.399002	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+Cl"	34.969402
"670234"	1331.613802	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+Cl"	34.969402
"1285921"	467.184202	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Cl"	34.969402
"22284"	901.378206	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M-2H+K"	36.948606
"461843"	1333.593006	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M-2H+K"	36.948606
"839276"	469.163406	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-2H+K"	36.948606
"1562034"	469.163406	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+K-2H"	36.948606
"952101"	477.212994	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-H+HCOOH"	44.998194
"366675"	909.427801	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+HCOOH-H"	44.998201
"351288"	923.443451	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+Hac-H"	59.013851
"1501946"	491.228651	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Hac-H"	59.013851
"966206"	499.194951	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-H+NaCOOH"	66.980151
"119854"	467.184202	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+2Cl"	69.938804
"559049"	683.291602	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+2Cl"	69.938804
"1033323"	251.076802	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2Cl"	69.938804
"1250714"	511.133685	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Br"	78.918885
"1314256"	513.189672	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Cl+HCOOH"	80.974872
"1330659"	535.171629	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Cl+NaCOOH"	102.956829
"924997"	545.200386	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M-H+CF3COOH"	112.985586
"1300247"	581.177064	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Cl+CF3COOH"	148.962264
"1379868"	397.202124	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H-2H2O"	-35.012676
"1383513"	415.2121	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H-H2O"	-17.0027
"290490"	865.436876	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+H"	1.007276
"679629"	1297.651676	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+H"	1.007276
"1357075"	433.222076	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H"	1.007276
"126806"	433.222076	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+2H"	2.014552
"568799"	649.329476	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+2H"	2.014552
"1040513"	217.114676	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2H"	2.014552
"206227"	289.150476	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+3H"	3.021828
"644694"	433.222076	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+3H"	3.021828
"1164274"	145.078876	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+3H"	3.021828
"424995"	882.463423	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+NH4"	18.033823
"785989"	1314.678223	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+NH4"	18.033823
"1681829"	450.248623	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+NH4"	18.033823
"331699"	441.7353495	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+H+NH4"	19.041099
"735060"	657.8427495	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+H+NH4"	19.041099
"1491067"	225.6279495	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H+NH4"	19.041099
"399905"	887.418818	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+Na"	22.989218
"765275"	1319.633618	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+Na"	22.989218
"1616658"	455.204018	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Na"	22.989218
"321224"	444.213047	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+H+Na"	23.996494
"721790"	660.320447	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+H+Na"	23.996494
"1472572"	228.105647	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H+Na"	23.996494
"1065820"	152.40619	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2H+Na"	25.00377
"1264580"	465.248286	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+CH3OH+H"	33.033486
"384249"	903.392758	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+K"	38.963158
"747431"	1335.607558	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+K"	38.963158
"1546207"	471.177958	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+K"	38.963158
"307753"	452.200017	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+H+K"	39.970434
"695802"	668.307417	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+H+K"	39.970434
"1446708"	236.092617	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H+K"	39.970434
"235751"	906.463426	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+ACN+H"	42.033826
"1210193"	474.248626	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+ACN+H"	42.033826
"1194399"	237.627951	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+ACN+2H"	43.041102
"188930"	909.40076	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+2Na-H"	44.97116
"628816"	1341.61556	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+2Na-H"	44.97116
"1131486"	477.18596	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2Na-H"	44.97116
"173424"	455.204018	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+2Na"	45.978436
"621268"	671.311418	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+2Na"	45.978436
"1124773"	239.096618	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2Na"	45.978436
"1413040"	159.733504	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H+2Na"	46.985712
"1445242"	479.227546	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H+HCOOH"	47.012746
"233758"	460.23704	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+3H2O+2H"	56.04448
"1520363"	493.27959	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+IsoProp+H"	61.06479
"423695"	463.190988	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+Na+K"	61.952376
"777766"	679.298388	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+Na+K"	61.952376
"1675190"	247.083588	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Na+K"	61.952376
"262804"	928.445368	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+ACN+Na"	64.015768
"1239157"	496.230568	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+ACN+Na"	64.015768
"1720389"	496.254093	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+NH4+HCOOH"	64.039293
"1186472"	167.060818	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+3Na"	68.967654
"1657457"	501.209488	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Na+HCOOH"	68.994688
"164317"	941.34864	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+2K-H"	76.91904
"604975"	1373.56344	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+2K-H"	76.91904
"1088394"	509.13384	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2K-H"	76.91904
"144117"	471.177958	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"2M+2K"	77.926316
"588050"	687.285358	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"3M+2K"	77.926316
"1078029"	255.070558	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2K"	77.926316
"1101273"	511.148392	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2K+H"	78.933592
"1339971"	511.236007	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+DMSO+H"	79.021207
"1005837"	515.275176	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2ACN+H"	83.060376
"1525284"	516.268808	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+IsoProp+Na+H"	84.054008
"994170"	258.141226	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+2ACN+2H"	84.067652
"1594141"	517.183428	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+K+HCOOH"	84.968628
"1428551"	547.214938	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+H+CF3COOH"	115.000138
"1153370"	278.654501	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+3ACN+2H"	125.094202
"1712280"	564.241485	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+NH4+CF3COOH"	132.026685
"1649508"	569.19688	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+Na+CF3COOH"	136.98208
"1581879"	585.17082	"C10657"	"Magnosalicin"	"C24H32O7"	"432.2148"	"M+K+CF3COOH"	152.95602
"808966"	414.2042	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M"	0
"985781"	395.18581	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-H2O-H"	-19.01839
"75116"	275.128857333333	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M-3H"	-3.021828
"511395"	413.196924	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M-3H"	-3.021828
"885917"	137.060790666667	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-3H"	-3.021828
"11054"	413.196924	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M-2H"	-2.014552
"451712"	620.299024	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M-2H"	-2.014552
"819671"	206.094824	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-2H"	-2.014552
"88412"	827.401124	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M-H"	-1.007276
"529796"	1241.605324	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M-H"	-1.007276
"900306"	413.196924	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-H"	-1.007276
"52494"	844.427671	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M-2H+NH4"	16.019271
"496431"	1258.631871	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M-2H+NH4"	16.019271
"873138"	430.223471	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-2H+NH4"	16.019271
"46727"	849.383066	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M-2H+Na"	20.974666
"486691"	1263.587266	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M-2H+Na"	20.974666
"863275"	435.178866	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-2H+Na"	20.974666
"1633736"	435.178866	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Na-2H"	20.974666
"109578"	431.185263	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M-H+Cl"	33.962126
"549911"	638.287363	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M-H+Cl"	33.962126
"942043"	224.083163	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-H+Cl"	33.962126
"279745"	863.377802	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+Cl"	34.969402
"673624"	1277.582002	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+Cl"	34.969402
"1287004"	449.173602	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Cl"	34.969402
"21301"	865.357006	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M-2H+K"	36.948606
"464143"	1279.561206	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M-2H+K"	36.948606
"838658"	451.152806	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-2H+K"	36.948606
"1559595"	451.152806	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+K-2H"	36.948606
"949663"	459.202394	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-H+HCOOH"	44.998194
"369699"	873.406601	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+HCOOH-H"	44.998201
"351398"	887.422251	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+Hac-H"	59.013851
"1498774"	473.218051	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Hac-H"	59.013851
"965223"	481.184351	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-H+NaCOOH"	66.980151
"119964"	449.173602	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+2Cl"	69.938804
"562077"	656.275702	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+2Cl"	69.938804
"1034886"	242.071502	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2Cl"	69.938804
"1253739"	493.123085	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Br"	78.918885
"1317283"	495.179072	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Cl+HCOOH"	80.974872
"1330770"	517.161029	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Cl+NaCOOH"	102.956829
"922920"	527.189786	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M-H+CF3COOH"	112.985586
"1302909"	563.166464	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Cl+CF3COOH"	148.962264
"1378886"	379.191524	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H-2H2O"	-35.012676
"1387635"	397.2015	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H-H2O"	-17.0027
"293880"	829.415676	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+H"	1.007276
"683020"	1243.619876	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+H"	1.007276
"1363746"	415.211476	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H"	1.007276
"128253"	415.211476	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+2H"	2.014552
"569639"	622.313576	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+2H"	2.014552
"1044999"	208.109376	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2H"	2.014552
"211806"	277.143409333333	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+3H"	3.021828
"650273"	415.211476	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+3H"	3.021828
"1164387"	139.075342666667	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+3H"	3.021828
"428389"	846.442223	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+NH4"	18.033823
"787195"	1260.646423	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+NH4"	18.033823
"1682551"	432.238023	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+NH4"	18.033823
"332535"	423.7247495	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+H+NH4"	19.041099
"737357"	630.8268495	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+H+NH4"	19.041099
"1491178"	216.6226495	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H+NH4"	19.041099
"404389"	851.397618	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+Na"	22.989218
"769032"	1265.601818	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+Na"	22.989218
"1616402"	437.193418	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Na"	22.989218
"322427"	426.202447	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+H+Na"	23.996494
"722510"	633.304547	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+H+Na"	23.996494
"1473776"	219.100347	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H+Na"	23.996494
"1065930"	146.402656666667	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2H+Na"	25.00377
"1265783"	447.237686	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+CH3OH+H"	33.033486
"387640"	867.371558	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+K"	38.963158
"750824"	1281.575758	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+K"	38.963158
"1550689"	453.167358	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+K"	38.963158
"310051"	434.189417	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+H+K"	39.970434
"703567"	641.291517	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+H+K"	39.970434
"1455200"	227.087317	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H+K"	39.970434
"239430"	870.442226	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+ACN+H"	42.033826
"1211284"	456.238026	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+ACN+H"	42.033826
"1194593"	228.622651	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+ACN+2H"	43.041102
"188800"	873.37956	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+2Na-H"	44.97116
"629288"	1287.58376	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+2Na-H"	44.97116
"1131956"	459.17536	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2Na-H"	44.97116
"176710"	437.193418	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+2Na"	45.978436
"622471"	644.295518	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+2Na"	45.978436
"1121602"	230.091318	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2Na"	45.978436
"1412423"	153.729970666667	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H+2Na"	46.985712
"1444541"	461.216946	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H+HCOOH"	47.012746
"234236"	442.22644	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+3H2O+2H"	56.04448
"1520474"	475.26899	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+IsoProp+H"	61.06479
"421621"	445.180388	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+Na+K"	61.952376
"776053"	652.282488	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+Na+K"	61.952376
"1675301"	238.078288	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Na+K"	61.952376
"259634"	892.424168	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+ACN+Na"	64.015768
"1232343"	478.219968	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+ACN+Na"	64.015768
"1720135"	478.243493	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+NH4+HCOOH"	64.039293
"1187676"	161.057284666667	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+3Na"	68.967654
"1656474"	483.198888	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Na+HCOOH"	68.994688
"168801"	905.32744	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+2K-H"	76.91904
"601803"	1319.53164	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+2K-H"	76.91904
"1093608"	491.12324	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2K-H"	76.91904
"151155"	453.167358	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"2M+2K"	77.926316
"590347"	660.269458	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"3M+2K"	77.926316
"1074859"	246.065258	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2K"	77.926316
"1103692"	493.137792	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2K+H"	78.933592
"1343362"	493.225407	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+DMSO+H"	79.021207
"1009703"	497.264576	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2ACN+H"	83.060376
"1524910"	498.258208	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+IsoProp+Na+H"	84.054008
"996466"	249.135926	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+2ACN+2H"	84.067652
"1594251"	499.172828	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+K+HCOOH"	84.968628
"1428662"	529.204338	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+H+CF3COOH"	115.000138
"1153480"	269.649201	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+3ACN+2H"	125.094202
"1712151"	546.230885	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+NH4+CF3COOH"	132.026685
"1649254"	551.18628	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+Na+CF3COOH"	136.98208
"1578708"	567.16022	"C10658"	"Magnoshinin"	"C24H30O6"	"414.2042"	"M+K+CF3COOH"	152.95602
"805796"	186.0793	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M"	0
"982611"	167.06091	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-H2O-H"	-19.01839
"70851"	123.045590666667	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M-3H"	-3.021828
"509318"	185.072024	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M-3H"	-3.021828
"881287"	61.0191573333333	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-3H"	-3.021828
"7884"	185.072024	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M-2H"	-2.014552
"449635"	278.111674	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M-2H"	-2.014552
"818809"	92.032374	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-2H"	-2.014552
"87429"	371.151324	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M-H"	-1.007276
"522614"	557.230624	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M-H"	-1.007276
"896399"	185.072024	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-H"	-1.007276
"52604"	388.177871	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M-2H+NH4"	16.019271
"495448"	574.257171	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M-2H+NH4"	16.019271
"874341"	202.098571	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-2H+NH4"	16.019271
"46759"	393.133266	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M-2H+Na"	20.974666
"486072"	579.212566	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M-2H+Na"	20.974666
"863144"	207.053966	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-2H+Na"	20.974666
"1633926"	207.053966	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Na-2H"	20.974666
"108952"	203.060363	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M-H+Cl"	33.962126
"549132"	296.100013	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M-H+Cl"	33.962126
"939839"	110.020713	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-H+Cl"	33.962126
"279490"	407.128002	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+Cl"	34.969402
"674463"	593.207302	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+Cl"	34.969402
"1287477"	221.048702	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Cl"	34.969402
"26879"	409.107206	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M-2H+K"	36.948606
"462065"	595.186506	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M-2H+K"	36.948606
"839497"	223.027906	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-2H+K"	36.948606
"1560434"	223.027906	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+K-2H"	36.948606
"947951"	231.077494	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-H+HCOOH"	44.998194
"368716"	417.156801	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+HCOOH-H"	44.998201
"350779"	431.172451	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+Hac-H"	59.013851
"1498884"	245.093151	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Hac-H"	59.013851
"966427"	253.059451	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-H+NaCOOH"	66.980151
"120074"	221.048702	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+2Cl"	69.938804
"561456"	314.088352	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+2Cl"	69.938804
"1032808"	128.009052	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2Cl"	69.938804
"1255673"	264.998185	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Br"	78.918885
"1319382"	267.054172	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Cl+HCOOH"	80.974872
"1335137"	289.036129	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Cl+NaCOOH"	102.956829
"923759"	299.064886	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M-H+CF3COOH"	112.985586
"1303760"	335.041564	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Cl+CF3COOH"	148.962264
"1380090"	151.066624	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H-2H2O"	-35.012676
"1391025"	169.0766	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H-H2O"	-17.0027
"291804"	373.165876	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+H"	1.007276
"683130"	559.245176	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+H"	1.007276
"1361669"	187.086576	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H"	1.007276
"137840"	187.086576	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+2H"	2.014552
"570477"	280.126226	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+2H"	2.014552
"1045109"	94.046926	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2H"	2.014552
"207905"	125.060142666667	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+3H"	3.021828
"646737"	187.086576	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+3H"	3.021828
"1164498"	63.0337093333333	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+3H"	3.021828
"427404"	390.192423	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+NH4"	18.033823
"787305"	576.271723	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+NH4"	18.033823
"1683639"	204.113123	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+NH4"	18.033823
"333743"	195.5998495	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+H+NH4"	19.041099
"734187"	288.6394995	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+H+NH4"	19.041099
"1491288"	102.5601995	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H+NH4"	19.041099
"403406"	395.147818	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+Na"	22.989218
"769141"	581.227118	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+Na"	22.989218
"1615783"	209.068518	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Na"	22.989218
"321444"	198.077547	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+H+Na"	23.996494
"721523"	291.117197	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+H+Na"	23.996494
"1472063"	105.037897	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H+Na"	23.996494
"1065311"	70.3610233333333	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2H+Na"	25.00377
"1264803"	219.112786	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+CH3OH+H"	33.033486
"382284"	411.121758	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+K"	38.963158
"750934"	597.201058	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+K"	38.963158
"1548613"	225.042458	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+K"	38.963158
"307975"	206.064517	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+H+K"	39.970434
"702584"	299.104167	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+H+K"	39.970434
"1456404"	113.024867	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H+K"	39.970434
"241725"	414.192426	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+ACN+H"	42.033826
"1212975"	228.113126	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+ACN+H"	42.033826
"1196129"	114.560201	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+ACN+2H"	43.041102
"189726"	417.12976	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+2Na-H"	44.97116
"628592"	603.20906	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+2Na-H"	44.97116
"1134622"	231.05046	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2Na-H"	44.97116
"179739"	209.068518	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+2Na"	45.978436
"623676"	302.108168	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+2Na"	45.978436
"1130103"	116.028868	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2Na"	45.978436
"1409613"	77.6883373333333	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H+2Na"	46.985712
"1443193"	233.092046	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H+HCOOH"	47.012746
"235551"	214.10154	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+3H2O+2H"	56.04448
"1520588"	247.14409	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+IsoProp+H"	61.06479
"421732"	217.055488	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+Na+K"	61.952376
"777986"	310.095138	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+Na+K"	61.952376
"1676504"	124.015838	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Na+K"	61.952376
"262661"	436.174368	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+ACN+Na"	64.015768
"1235005"	250.095068	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+ACN+Na"	64.015768
"1721338"	250.118593	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+NH4+HCOOH"	64.039293
"1187423"	85.0156513333333	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+3Na"	68.967654
"1657678"	255.073988	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Na+HCOOH"	68.994688
"168550"	449.07764	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+2K-H"	76.91904
"605924"	635.15694	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+2K-H"	76.91904
"1094083"	262.99834	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2K-H"	76.91904
"151629"	225.042458	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"2M+2K"	77.926316
"592645"	318.082108	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"3M+2K"	77.926316
"1074969"	132.002808	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2K"	77.926316
"1103802"	265.012892	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2K+H"	78.933592
"1346388"	265.100507	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+DMSO+H"	79.021207
"1010906"	269.139676	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2ACN+H"	83.060376
"1526844"	270.133308	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+IsoProp+Na+H"	84.054008
"995483"	135.073476	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+2ACN+2H"	84.067652
"1594361"	271.047928	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+K+HCOOH"	84.968628
"1428408"	301.079438	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+H+CF3COOH"	115.000138
"1152497"	155.586751	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+3ACN+2H"	125.094202
"1711533"	318.105985	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+NH4+CF3COOH"	132.026685
"1649000"	323.06138	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+Na+CF3COOH"	136.98208
"1578818"	339.03532	"C10659"	"Deoxyvasicinone;23-Trimethylene-4-quinazolone"	"C11H10N2O"	"186.0793"	"M+K+CF3COOH"	152.95602
"801390"	199.0633	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M"	0
"976519"	180.04491	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-H2O-H"	-19.01839
"62990"	131.701590666667	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M-3H"	-3.021828
"505048"	198.056024	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M-3H"	-3.021828
"883216"	65.3471573333333	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-3H"	-3.021828
"1790"	198.056024	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M-2H"	-2.014552
"440253"	297.587674	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M-2H"	-2.014552
"822071"	98.524374	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-2H"	-2.014552
"78937"	397.119324	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M-H"	-1.007276
"522716"	596.182624	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M-H"	-1.007276
"896266"	198.056024	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-H"	-1.007276
"52709"	414.145871	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M-2H+NH4"	16.019271
"496642"	613.209171	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M-2H+NH4"	16.019271
"864511"	215.082571	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-2H+NH4"	16.019271
"32981"	419.101266	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M-2H+Na"	20.974666
"476444"	618.164566	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M-2H+Na"	20.974666
"860442"	220.037966	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-2H+Na"	20.974666
"1629250"	220.037966	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Na-2H"	20.974666
"107965"	216.044363	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M-H+Cl"	33.962126
"549950"	315.576013	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M-H+Cl"	33.962126
"942548"	116.512713	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-H+Cl"	33.962126
"281419"	433.096002	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+Cl"	34.969402
"675060"	632.159302	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+Cl"	34.969402
"1287460"	234.032702	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Cl"	34.969402
"30994"	435.075206	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M-2H+K"	36.948606
"465450"	634.138506	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M-2H+K"	36.948606
"843253"	236.011906	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-2H+K"	36.948606
"1559451"	236.011906	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+K-2H"	36.948606
"944783"	244.061494	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-H+HCOOH"	44.998194
"369560"	443.124801	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+HCOOH-H"	44.998201
"355266"	457.140451	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+Hac-H"	59.013851
"1501912"	258.077151	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Hac-H"	59.013851
"971641"	266.043451	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-H+NaCOOH"	66.980151
"121277"	234.032702	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+2Cl"	69.938804
"564482"	333.564352	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+2Cl"	69.938804
"1035468"	134.501052	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2Cl"	69.938804
"1254314"	277.982185	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Br"	78.918885
"1314577"	280.038172	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Cl+HCOOH"	80.974872
"1324419"	302.020129	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Cl+NaCOOH"	102.956829
"924592"	312.048886	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M-H+CF3COOH"	112.985586
"1302398"	348.025564	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Cl+CF3COOH"	148.962264
"1381413"	164.050624	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H-2H2O"	-35.012676
"1390040"	182.0606	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H-H2O"	-17.0027
"288632"	399.133876	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+H"	1.007276
"684332"	598.197176	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+H"	1.007276
"1357400"	200.070576	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H"	1.007276
"133571"	200.070576	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+2H"	2.014552
"575325"	299.602226	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+2H"	2.014552
"1044125"	100.538926	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2H"	2.014552
"212024"	133.716142666667	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+3H"	3.021828
"650491"	200.070576	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+3H"	3.021828
"1163876"	67.3617093333333	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+3H"	3.021828
"424393"	416.160423	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+NH4"	18.033823
"790696"	615.223723	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+NH4"	18.033823
"1681922"	217.097123	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+NH4"	18.033823
"330196"	208.5838495	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+H+NH4"	19.041099
"726633"	308.1154995	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+H+NH4"	19.041099
"1477023"	109.0521995	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H+NH4"	19.041099
"393177"	421.115818	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+Na"	22.989218
"754300"	620.179118	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+Na"	22.989218
"1604949"	222.052518	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Na"	22.989218
"319367"	211.061547	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+H+Na"	23.996494
"721633"	310.593197	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+H+Na"	23.996494
"1468893"	111.529897	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H+Na"	23.996494
"1061047"	74.6890233333333	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2H+Na"	25.00377
"1267101"	232.096786	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+CH3OH+H"	33.033486
"384582"	437.089758	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+K"	38.963158
"745577"	636.153058	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+K"	38.963158
"1547630"	238.026458	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+K"	38.963158
"310271"	219.048517	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+H+K"	39.970434
"705975"	318.580167	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+H+K"	39.970434
"1453237"	119.516867	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H+K"	39.970434
"242931"	440.160426	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+ACN+H"	42.033826
"1213085"	241.097126	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+ACN+H"	42.033826
"1196239"	121.052201	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+ACN+2H"	43.041102
"190203"	443.09776	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+2Na-H"	44.97116
"628579"	642.16106	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+2Na-H"	44.97116
"1135825"	244.03446	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2Na-H"	44.97116
"180942"	222.052518	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+2Na"	45.978436
"623786"	321.584168	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+2Na"	45.978436
"1130740"	122.520868	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2Na"	45.978436
"1407536"	82.0163373333333	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H+2Na"	46.985712
"1444396"	246.076046	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H+HCOOH"	47.012746
"234823"	227.08554	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+3H2O+2H"	56.04448
"1521792"	260.12809	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+IsoProp+H"	61.06479
"422939"	230.039488	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+Na+K"	61.952376
"781377"	329.571138	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+Na+K"	61.952376
"1678076"	130.507838	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Na+K"	61.952376
"258760"	462.142368	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+ACN+Na"	64.015768
"1237667"	263.079068	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+ACN+Na"	64.015768
"1720356"	263.102593	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+NH4+HCOOH"	64.039293
"1188991"	89.3436513333333	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+3Na"	68.967654
"1661435"	268.057988	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Na+HCOOH"	68.994688
"171209"	475.04564	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+2K-H"	76.91904
"604208"	674.10894	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+2K-H"	76.91904
"1097474"	275.98234	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2K-H"	76.91904
"146632"	238.026458	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"2M+2K"	77.926316
"593119"	337.558108	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"3M+2K"	77.926316
"1075079"	138.494808	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2K"	77.926316
"1101115"	277.996892	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2K+H"	78.933592
"1347957"	278.084507	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+DMSO+H"	79.021207
"1011016"	282.123676	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2ACN+H"	83.060376
"1526954"	283.117308	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+IsoProp+Na+H"	84.054008
"996686"	141.565476	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+2ACN+2H"	84.067652
"1594471"	284.031928	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+K+HCOOH"	84.968628
"1428517"	314.063438	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+H+CF3COOH"	115.000138
"1153700"	162.078751	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+3ACN+2H"	125.094202
"1712371"	331.089985	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+NH4+CF3COOH"	132.026685
"1649474"	336.04538	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+Na+CF3COOH"	136.98208
"1578928"	352.01932	"C10660"	"Dictamnine"	"C12H9NO2"	"199.0633"	"M+K+CF3COOH"	152.95602
"802732"	249.079	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M"	0
"976265"	230.06061	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-H2O-H"	-19.01839
"63323"	165.045390666667	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M-3H"	-3.021828
"503095"	248.071724	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M-3H"	-3.021828
"881869"	82.0190573333333	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-3H"	-3.021828
"1536"	248.071724	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M-2H"	-2.014552
"440192"	372.611224	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M-2H"	-2.014552
"817441"	123.532224	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-2H"	-2.014552
"78677"	497.150724	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M-H"	-1.007276
"522826"	746.229724	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M-H"	-1.007276
"895719"	248.071724	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-H"	-1.007276
"49538"	514.177271	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M-2H+NH4"	16.019271
"493472"	763.256271	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M-2H+NH4"	16.019271
"864321"	265.098271	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-2H+NH4"	16.019271
"31507"	519.132666	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M-2H+Na"	20.974666
"475460"	768.211666	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M-2H+Na"	20.974666
"855449"	270.053666	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-2H+Na"	20.974666
"1628264"	270.053666	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Na-2H"	20.974666
"105887"	266.060063	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M-H+Cl"	33.962126
"548973"	390.599563	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M-H+Cl"	33.962126
"942660"	141.520563	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-H+Cl"	33.962126
"281165"	533.127402	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+Cl"	34.969402
"675495"	782.206402	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+Cl"	34.969402
"1287083"	284.048402	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Cl"	34.969402
"31238"	535.106606	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M-2H+K"	36.948606
"462280"	784.185606	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M-2H+K"	36.948606
"841176"	286.027606	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-2H+K"	36.948606
"1561383"	286.027606	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+K-2H"	36.948606
"944164"	294.077194	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-H+HCOOH"	44.998194
"369670"	543.156201	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+HCOOH-H"	44.998201
"355740"	557.171851	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+Hac-H"	59.013851
"1502386"	308.092851	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Hac-H"	59.013851
"972115"	316.059151	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-H+NaCOOH"	66.980151
"122115"	284.048402	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+2Cl"	69.938804
"563862"	408.587902	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+2Cl"	69.938804
"1035943"	159.508902	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2Cl"	69.938804
"1251871"	327.997885	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Br"	78.918885
"1314687"	330.053872	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Cl+HCOOH"	80.974872
"1325621"	352.035829	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Cl+NaCOOH"	102.956829
"917775"	362.064586	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M-H+CF3COOH"	112.985586
"1300684"	398.041264	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Cl+CF3COOH"	148.962264
"1380307"	214.066324	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H-2H2O"	-35.012676
"1390150"	232.0763	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H-H2O"	-17.0027
"292022"	499.165276	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+H"	1.007276
"681162"	748.244276	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+H"	1.007276
"1357510"	250.086276	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H"	1.007276
"133681"	250.086276	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+2H"	2.014552
"577621"	374.625776	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+2H"	2.014552
"1045328"	125.546776	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2H"	2.014552
"209947"	167.059942666667	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+3H"	3.021828
"653880"	250.086276	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+3H"	3.021828
"1163986"	84.0336093333333	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+3H"	3.021828
"424421"	516.191823	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+NH4"	18.033823
"791899"	765.270823	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+NH4"	18.033823
"1683126"	267.112823	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+NH4"	18.033823
"330263"	258.5995495	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+H+NH4"	19.041099
"727836"	383.1390495	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+H+NH4"	19.041099
"1477151"	134.0600495	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H+NH4"	19.041099
"394138"	521.147218	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+Na"	22.989218
"754401"	770.226218	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+Na"	22.989218
"1605058"	272.068218	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Na"	22.989218
"318383"	261.077247	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+H+Na"	23.996494
"720290"	385.616747	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+H+Na"	23.996494
"1470096"	136.537747	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H+Na"	23.996494
"1063345"	91.3609233333333	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2H+Na"	25.00377
"1267211"	282.112486	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+CH3OH+H"	33.033486
"389066"	537.121158	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+K"	38.963158
"748966"	786.200158	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+K"	38.963158
"1547740"	288.042158	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+K"	38.963158
"311474"	269.064217	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+H+K"	39.970434
"706085"	393.603717	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+H+K"	39.970434
"1453346"	144.524717	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H+K"	39.970434
"244135"	540.191826	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+ACN+H"	42.033826
"1214653"	291.112826	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+ACN+H"	42.033826
"1196349"	146.060051	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+ACN+2H"	43.041102
"194323"	543.12916	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+2Na-H"	44.97116
"628650"	792.20816	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+2Na-H"	44.97116
"1132082"	294.05016	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2Na-H"	44.97116
"181052"	272.068218	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+2Na"	45.978436
"624989"	396.607718	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+2Na"	45.978436
"1128497"	147.528718	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2Na"	45.978436
"1409833"	98.6882373333333	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H+2Na"	46.985712
"1444625"	296.091746	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H+HCOOH"	47.012746
"234566"	277.10124	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+3H2O+2H"	56.04448
"1523359"	310.14379	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+IsoProp+H"	61.06479
"423047"	280.055188	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+Na+K"	61.952376
"782581"	404.594688	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+Na+K"	61.952376
"1677819"	155.515688	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Na+K"	61.952376
"265067"	562.173768	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+ACN+Na"	64.015768
"1235953"	313.094768	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+ACN+Na"	64.015768
"1724476"	313.118293	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+NH4+HCOOH"	64.039293
"1190926"	106.015551333333	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+3Na"	68.967654
"1661183"	318.073688	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Na+HCOOH"	68.994688
"170227"	575.07704	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+2K-H"	76.91904
"607598"	824.15604	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+2K-H"	76.91904
"1096854"	325.99804	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2K-H"	76.91904
"147835"	288.042158	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"2M+2K"	77.926316
"590677"	412.581658	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"3M+2K"	77.926316
"1075189"	163.502658	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2K"	77.926316
"1100740"	328.012592	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2K+H"	78.933592
"1348067"	328.100207	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+DMSO+H"	79.021207
"1011126"	332.139376	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2ACN+H"	83.060376
"1525119"	333.133008	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+IsoProp+Na+H"	84.054008
"996797"	166.573326	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+2ACN+2H"	84.067652
"1594581"	334.047628	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+K+HCOOH"	84.968628
"1429356"	364.079138	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+H+CF3COOH"	115.000138
"1152717"	187.086601	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+3ACN+2H"	125.094202
"1712358"	381.105685	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+NH4+CF3COOH"	132.026685
"1649220"	386.06108	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+Na+CF3COOH"	136.98208
"1579038"	402.03502	"C10661"	"Dubamine"	"C16H11NO2"	"249.079"	"M+K+CF3COOH"	152.95602
"801824"	275.1158	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M"	0
"975077"	256.09741	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-H2O-H"	-19.01839
"64122"	182.403257333333	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M-3H"	-3.021828
"506362"	274.108524	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M-3H"	-3.021828
"883072"	90.6979906666667	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-3H"	-3.021828
"1646"	274.108524	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M-2H"	-2.014552
"440392"	411.666424	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M-2H"	-2.014552
"817582"	136.550624	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-2H"	-2.014552
"83376"	549.224324	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M-H"	-1.007276
"522936"	824.340124	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M-H"	-1.007276
"900738"	274.108524	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-H"	-1.007276
"47226"	566.250871	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M-2H+NH4"	16.019271
"490302"	841.366671	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M-2H+NH4"	16.019271
"864943"	291.135071	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-2H+NH4"	16.019271
"31626"	571.206266	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M-2H+Na"	20.974666
"475570"	846.322066	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M-2H+Na"	20.974666
"856652"	296.090466	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-2H+Na"	20.974666
"1631657"	296.090466	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Na-2H"	20.974666
"107826"	292.096863	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M-H+Cl"	33.962126
"549456"	429.654763	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M-H+Cl"	33.962126
"942444"	154.538963	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-H+Cl"	33.962126
"282130"	585.201002	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+Cl"	34.969402
"675489"	860.316802	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+Cl"	34.969402
"1288327"	310.085202	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Cl"	34.969402
"30609"	587.180206	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M-2H+K"	36.948606
"464576"	862.296006	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M-2H+K"	36.948606
"843473"	312.064406	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-2H+K"	36.948606
"1563679"	312.064406	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+K-2H"	36.948606
"948283"	320.113994	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-H+HCOOH"	44.998194
"370874"	595.229801	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+HCOOH-H"	44.998201
"356581"	609.245451	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+Hac-H"	59.013851
"1503225"	334.129651	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Hac-H"	59.013851
"970767"	342.095951	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-H+NaCOOH"	66.980151
"124412"	310.085202	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+2Cl"	69.938804
"563247"	447.643102	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+2Cl"	69.938804
"1035688"	172.527302	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2Cl"	69.938804
"1251618"	354.034685	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Br"	78.918885
"1317713"	356.090672	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Cl+HCOOH"	80.974872
"1330104"	378.072629	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Cl+NaCOOH"	102.956829
"920072"	388.101386	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M-H+CF3COOH"	112.985586
"1294598"	424.078064	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Cl+CF3COOH"	148.962264
"1379322"	240.103124	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H-2H2O"	-35.012676
"1394634"	258.1131	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H-H2O"	-17.0027
"294319"	551.238876	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+H"	1.007276
"679085"	826.354676	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+H"	1.007276
"1354340"	276.123076	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H"	1.007276
"133792"	276.123076	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+2H"	2.014552
"575545"	413.680976	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+2H"	2.014552
"1045438"	138.565176	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2H"	2.014552
"212245"	184.417809333333	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+3H"	3.021828
"650711"	276.123076	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+3H"	3.021828
"1167014"	92.7125426666667	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+3H"	3.021828
"427369"	568.265423	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+NH4"	18.033823
"794196"	843.381223	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+NH4"	18.033823
"1686152"	293.149623	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+NH4"	18.033823
"331514"	284.6363495	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+H+NH4"	19.041099
"727217"	422.1942495	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+H+NH4"	19.041099
"1477997"	147.0784495	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H+NH4"	19.041099
"393278"	573.220818	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+Na"	22.989218
"755364"	848.336618	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+Na"	22.989218
"1605534"	298.105018	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Na"	22.989218
"319587"	287.114047	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+H+Na"	23.996494
"720034"	424.671947	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+H+Na"	23.996494
"1471298"	149.556147	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H+Na"	23.996494
"1061264"	100.039856666667	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2H+Na"	25.00377
"1262946"	308.149286	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+CH3OH+H"	33.033486
"385896"	589.194758	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+K"	38.963158
"750902"	864.310558	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+K"	38.963158
"1551861"	314.078958	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+K"	38.963158
"308307"	295.101017	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+H+K"	39.970434
"699636"	432.658917	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+H+K"	39.970434
"1451270"	157.543117	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H+K"	39.970434
"239868"	592.265426	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+ACN+H"	42.033826
"1211483"	317.149626	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+ACN+H"	42.033826
"1196095"	159.078451	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+ACN+2H"	43.041102
"189571"	595.20276	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+2Na-H"	44.97116
"628557"	870.31856	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+2Na-H"	44.97116
"1131402"	320.08696	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2Na-H"	44.97116
"180067"	298.105018	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+2Na"	45.978436
"618168"	435.662918	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+2Na"	45.978436
"1129701"	160.547118	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2Na"	45.978436
"1413597"	107.367170666667	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H+2Na"	46.985712
"1443521"	322.128546	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H+HCOOH"	47.012746
"233948"	303.13804	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+3H2O+2H"	56.04448
"1520917"	336.18059	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+IsoProp+H"	61.06479
"421697"	306.091988	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+Na+K"	61.952376
"782326"	443.649888	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+Na+K"	61.952376
"1677929"	168.534088	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Na+K"	61.952376
"261167"	614.247368	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+ACN+Na"	64.015768
"1236062"	339.131568	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+ACN+Na"	64.015768
"1722765"	339.155093	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+NH4+HCOOH"	64.039293
"1187390"	114.694484666667	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+3Na"	68.967654
"1658740"	344.110488	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Na+HCOOH"	68.994688
"169609"	627.15064	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+2K-H"	76.91904
"601875"	902.26644	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+2K-H"	76.91904
"1095141"	352.03484	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2K-H"	76.91904
"146852"	314.078958	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"2M+2K"	77.926316
"590787"	451.636858	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"3M+2K"	77.926316
"1072019"	176.521058	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2K"	77.926316
"1101215"	354.049392	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2K+H"	78.933592
"1336135"	354.137007	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+DMSO+H"	79.021207
"1005760"	358.176176	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2ACN+H"	83.060376
"1524370"	359.169808	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+IsoProp+Na+H"	84.054008
"990090"	179.591726	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+2ACN+2H"	84.067652
"1587187"	360.084428	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+K+HCOOH"	84.968628
"1428980"	390.115938	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+H+CF3COOH"	115.000138
"1152827"	200.105001	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+3ACN+2H"	125.094202
"1712428"	407.142485	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+NH4+CF3COOH"	132.026685
"1649573"	412.09788	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+Na+CF3COOH"	136.98208
"1579148"	428.07182	"C10662"	"Dubinidine"	"C15H17NO4"	"275.1158"	"M+K+CF3COOH"	152.95602
"802952"	159.0684	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M"	0
"974783"	140.05001	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-H2O-H"	-19.01839
"64723"	105.038324	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M-3H"	-3.021828
"506471"	158.061124	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M-3H"	-3.021828
"884275"	52.015524	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-3H"	-3.021828
"1756"	158.061124	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M-2H"	-2.014552
"440462"	237.595324	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M-2H"	-2.014552
"817370"	78.526924	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-2H"	-2.014552
"85672"	317.129524	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M-H"	-1.007276
"520249"	476.197924	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M-H"	-1.007276
"896221"	158.061124	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-H"	-1.007276
"48290"	334.156071	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M-2H+NH4"	16.019271
"487491"	493.224471	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M-2H+NH4"	16.019271
"864476"	175.087671	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-2H+NH4"	16.019271
"31852"	339.111466	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M-2H+Na"	20.974666
"478960"	498.179866	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M-2H+Na"	20.974666
"855669"	180.043066	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-2H+Na"	20.974666
"1629577"	180.043066	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Na-2H"	20.974666
"108659"	176.049463	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M-H+Cl"	33.962126
"549074"	255.583663	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M-H+Cl"	33.962126
"940642"	96.515263	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-H+Cl"	33.962126
"278103"	353.106202	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+Cl"	34.969402
"674785"	512.174602	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+Cl"	34.969402
"1288165"	194.037802	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Cl"	34.969402
"31285"	355.085406	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M-2H+K"	36.948606
"466873"	514.153806	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M-2H+K"	36.948606
"843583"	196.017006	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-2H+K"	36.948606
"1562695"	196.017006	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+K-2H"	36.948606
"949485"	204.066594	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-H+HCOOH"	44.998194
"372076"	363.135001	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+HCOOH-H"	44.998201
"357054"	377.150651	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+Hac-H"	59.013851
"1499324"	218.082251	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Hac-H"	59.013851
"970878"	226.048551	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-H+NaCOOH"	66.980151
"124157"	194.037802	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+2Cl"	69.938804
"564449"	273.572002	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+2Cl"	69.938804
"1036407"	114.503602	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2Cl"	69.938804
"1253550"	237.987285	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Br"	78.918885
"1316731"	240.043272	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Cl+HCOOH"	80.974872
"1332037"	262.025229	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Cl+NaCOOH"	102.956829
"920180"	272.053986	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M-H+CF3COOH"	112.985586
"1297988"	308.030664	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Cl+CF3COOH"	148.962264
"1380526"	124.055724	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H-2H2O"	-35.012676
"1391464"	142.0657	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H-H2O"	-17.0027
"294428"	319.144076	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+H"	1.007276
"679195"	478.212476	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+H"	1.007276
"1354450"	160.075676	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H"	1.007276
"136087"	160.075676	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+2H"	2.014552
"575655"	239.609876	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+2H"	2.014552
"1045548"	80.541476	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2H"	2.014552
"212355"	107.052876	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+3H"	3.021828
"650821"	160.075676	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+3H"	3.021828
"1170040"	54.030076	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+3H"	3.021828
"428938"	336.170623	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+NH4"	18.033823
"794306"	495.239023	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+NH4"	18.033823
"1686263"	177.102223	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+NH4"	18.033823
"331260"	168.5889495	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+H+NH4"	19.041099
"729149"	248.1231495	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+H+NH4"	19.041099
"1477741"	89.0547495	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H+NH4"	19.041099
"395453"	341.126018	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+Na"	22.989218
"755353"	500.194418	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+Na"	22.989218
"1607467"	182.057618	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Na"	22.989218
"320790"	171.066647	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+H+Na"	23.996494
"721844"	250.600847	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+H+Na"	23.996494
"1473595"	91.532447	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H+Na"	23.996494
"1063561"	61.35739	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2H+Na"	25.00377
"1264149"	192.101886	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+CH3OH+H"	33.033486
"388192"	357.099958	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+K"	38.963158
"751378"	516.168358	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+K"	38.963158
"1550877"	198.031558	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+K"	38.963158
"311334"	179.053617	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+H+K"	39.970434
"699746"	258.587817	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+H+K"	39.970434
"1451379"	99.519417	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H+K"	39.970434
"237427"	360.170626	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+ACN+H"	42.033826
"1212322"	201.102226	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+ACN+H"	42.033826
"1197664"	101.054751	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+ACN+2H"	43.041102
"189559"	363.10796	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+2Na-H"	44.97116
"629240"	522.17636	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+2Na-H"	44.97116
"1131652"	204.03956	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2Na-H"	44.97116
"174341"	182.057618	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+2Na"	45.978436
"613414"	261.591818	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+2Na"	45.978436
"1129692"	102.523418	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2Na"	45.978436
"1413099"	68.684704	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H+2Na"	46.985712
"1444239"	206.081146	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H+HCOOH"	47.012746
"235392"	187.09064	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+3H2O+2H"	56.04448
"1522484"	220.13319	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+IsoProp+H"	61.06479
"423387"	190.044588	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+Na+K"	61.952376
"781706"	269.578788	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+Na+K"	61.952376
"1676945"	110.510388	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Na+K"	61.952376
"262372"	382.152568	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+ACN+Na"	64.015768
"1233987"	223.084168	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+ACN+Na"	64.015768
"1723240"	223.107693	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+NH4+HCOOH"	64.039293
"1188956"	76.012018	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+3Na"	68.967654
"1662128"	228.063088	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Na+HCOOH"	68.994688
"167165"	395.05584	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+2K-H"	76.91904
"602349"	554.12424	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+2K-H"	76.91904
"1095250"	235.98744	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2K-H"	76.91904
"146962"	198.031558	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"2M+2K"	77.926316
"590897"	277.565758	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"3M+2K"	77.926316
"1073222"	118.497358	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2K"	77.926316
"1102055"	238.001992	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2K+H"	78.933592
"1335716"	238.089607	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+DMSO+H"	79.021207
"1005728"	242.128776	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2ACN+H"	83.060376
"1524314"	243.122408	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+IsoProp+Na+H"	84.054008
"990155"	121.568026	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+2ACN+2H"	84.067652
"1587339"	244.037028	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+K+HCOOH"	84.968628
"1429699"	274.068538	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+H+CF3COOH"	115.000138
"1154030"	142.081301	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+3ACN+2H"	125.094202
"1712578"	291.095085	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+NH4+CF3COOH"	132.026685
"1649076"	296.05048	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+Na+CF3COOH"	136.98208
"1579258"	312.02442	"C10663"	"Echinopsine"	"C10H9NO"	"159.0684"	"M+K+CF3COOH"	152.95602
"801968"	196.0736	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M"	0
"974350"	177.05521	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"64835"	129.708457333333	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"512049"	195.066324	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"886571"	64.3505906666667	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"2960"	195.066324	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"443613"	293.103124	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"820324"	97.029524	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"85782"	391.139924	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"526436"	587.213524	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"896455"	195.066324	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"48161"	408.166471	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"488083"	604.240071	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"865156"	212.092871	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"38416"	413.121866	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"481260"	609.195466	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"862344"	217.048266	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1632607"	217.048266	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"106948"	213.054663	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"549304"	311.091463	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"941483"	115.017863	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"280766"	427.116602	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"673188"	623.190202	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1288341"	231.043002	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"31194"	429.095806	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"468076"	625.169406	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"839317"	233.022206	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1558065"	233.022206	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"946314"	241.071794	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"368904"	437.145401	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"354976"	451.161051	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1501622"	255.087451	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"965883"	263.053751	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"123175"	231.043002	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"561642"	329.079802	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1033723"	133.006202	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1255121"	274.992485	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1318664"	277.048472	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1331417"	299.030429	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"920291"	309.059186	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1295911"	345.035864	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1372981"	161.060924	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1391574"	179.0709	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"293445"	393.154476	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"681492"	589.228076	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1357840"	197.080876	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"134013"	197.080876	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"572485"	295.117676	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1044565"	99.044076	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"209185"	131.723009333333	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"647651"	197.080876	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1166870"	66.3651426666667	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"425038"	410.181023	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"790043"	606.254623	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1682484"	214.107423	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"332830"	205.5941495	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"723063"	303.6309495	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1479798"	107.5573495	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"395196"	415.136418	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"756195"	611.210018	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1607577"	219.062818	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"321993"	208.071847	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"722071"	306.108647	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1472612"	110.035047	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1065859"	73.6924566666667	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1266447"	229.107086	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"389036"	431.110358	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"751853"	627.183958	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1552444"	235.036758	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"311444"	216.058817	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"701679"	314.095617	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1452584"	118.022017	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"240089"	434.181026	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1214255"	238.107426	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1199233"	119.557351	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"189551"	437.11836	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"629469"	633.19196	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1131722"	241.04476	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"173841"	219.062818	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"614740"	317.099618	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1129435"	121.026018	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1413451"	81.0197706666667	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1443739"	243.086346	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"233433"	224.09584	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1523529"	257.13839	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"423373"	227.049788	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"781816"	325.086588	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1674869"	129.012988	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"259202"	456.162968	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1234098"	260.089368	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1722984"	260.112893	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1187973"	88.3470846666667	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1661510"	265.068288	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"167276"	469.06624	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"605742"	665.13984	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1094267"	272.99264	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"148895"	235.036758	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"588821"	333.073558	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1070780"	136.999958	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1104353"	275.007192	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1335873"	275.094807	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1005982"	279.133976	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1524586"	280.127608	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"992745"	140.070626	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1587081"	281.042228	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1414292"	311.073738	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1147695"	160.583901	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1711962"	328.100285	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1649185"	333.05568	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1579368"	349.02962	"C10664"	"Acetosyringone"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"801912"	174.0919	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M"	0
"975482"	155.07351	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-H2O-H"	-19.01839
"64945"	115.053990666667	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M-3H"	-3.021828
"516532"	173.084624	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M-3H"	-3.021828
"889961"	57.0233573333333	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-3H"	-3.021828
"4163"	173.084624	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M-2H"	-2.014552
"443723"	260.130574	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M-2H"	-2.014552
"823714"	86.038674	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-2H"	-2.014552
"81518"	347.176524	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M-H"	-1.007276
"524359"	521.268424	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M-H"	-1.007276
"896812"	173.084624	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-H"	-1.007276
"49607"	364.203071	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M-2H+NH4"	16.019271
"487831"	538.294971	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M-2H+NH4"	16.019271
"869531"	190.111171	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-2H+NH4"	16.019271
"38526"	369.158466	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M-2H+Na"	20.974666
"478088"	543.250366	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M-2H+Na"	20.974666
"863913"	195.066566	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-2H+Na"	20.974666
"1633081"	195.066566	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Na-2H"	20.974666
"109860"	191.072963	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M-H+Cl"	33.962126
"549662"	278.118913	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M-H+Cl"	33.962126
"942202"	104.027013	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-H+Cl"	33.962126
"279417"	383.153202	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+Cl"	34.969402
"672569"	557.245102	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+Cl"	34.969402
"1288328"	209.061302	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Cl"	34.969402
"31371"	385.132406	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M-2H+K"	36.948606
"462717"	559.224306	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M-2H+K"	36.948606
"842707"	211.040506	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-2H+K"	36.948606
"1557812"	211.040506	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+K-2H"	36.948606
"947517"	219.090094	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-H+HCOOH"	44.998194
"369014"	393.182001	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+HCOOH-H"	44.998201
"357272"	407.197651	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+Hac-H"	59.013851
"1501730"	233.105751	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Hac-H"	59.013851
"970366"	241.072051	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-H+NaCOOH"	66.980151
"123285"	209.061302	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+2Cl"	69.938804
"562847"	296.107252	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+2Cl"	69.938804
"1035293"	122.015352	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2Cl"	69.938804
"1255596"	253.010785	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Br"	78.918885
"1318043"	255.066772	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Cl+HCOOH"	80.974872
"1333716"	277.048729	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Cl+NaCOOH"	102.956829
"919307"	287.077486	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M-H+CF3COOH"	112.985586
"1294928"	323.054164	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Cl+CF3COOH"	148.962264
"1373091"	139.079224	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H-2H2O"	-35.012676
"1390590"	157.0892	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H-H2O"	-17.0027
"296835"	349.191076	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+H"	1.007276
"681602"	523.282976	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+H"	1.007276
"1357950"	175.099176	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H"	1.007276
"134123"	175.099176	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+2H"	2.014552
"567854"	262.145126	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+2H"	2.014552
"1042488"	88.053226	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2H"	2.014552
"208202"	117.068542666667	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+3H"	3.021828
"647761"	175.099176	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+3H"	3.021828
"1165521"	59.0379093333333	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+3H"	3.021828
"424782"	366.217623	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+NH4"	18.033823
"787357"	540.309523	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+NH4"	18.033823
"1681701"	192.125723	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+NH4"	18.033823
"330549"	183.6124495	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+H+NH4"	19.041099
"725725"	270.6583995	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+H+NH4"	19.041099
"1477636"	96.5664995	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H+NH4"	19.041099
"394578"	371.173018	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+Na"	22.989218
"757761"	545.264918	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+Na"	22.989218
"1607687"	197.081118	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Na"	22.989218
"322103"	186.090147	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+H+Na"	23.996494
"717809"	273.136097	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+H+Na"	23.996494
"1469443"	99.044197	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H+Na"	23.996494
"1064876"	66.3652233333333	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2H+Na"	25.00377
"1269478"	207.125386	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+CH3OH+H"	33.033486
"392714"	387.146958	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+K"	38.963158
"753056"	561.238858	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+K"	38.963158
"1553284"	213.055058	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+K"	38.963158
"311554"	194.077117	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+H+K"	39.970434
"701789"	281.123067	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+H+K"	39.970434
"1452693"	107.031167	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H+K"	39.970434
"244574"	390.217626	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+ACN+H"	42.033826
"1211935"	216.125726	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+ACN+H"	42.033826
"1197884"	108.566501	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+ACN+2H"	43.041102
"189090"	393.15496	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+2Na-H"	44.97116
"629460"	567.24686	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+2Na-H"	44.97116
"1132359"	219.06306	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2Na-H"	44.97116
"174558"	197.081118	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+2Na"	45.978436
"614849"	284.127068	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+2Na"	45.978436
"1130027"	110.035168	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2Na"	45.978436
"1413560"	73.6925373333333	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H+2Na"	46.985712
"1444213"	221.104646	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H+HCOOH"	47.012746
"234637"	202.11414	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+3H2O+2H"	56.04448
"1523068"	235.15669	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+IsoProp+H"	61.06479
"423973"	205.068088	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+Na+K"	61.952376
"784113"	292.114038	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+Na+K"	61.952376
"1677166"	118.022138	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Na+K"	61.952376
"262590"	412.199568	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+ACN+Na"	64.015768
"1236394"	238.107668	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+ACN+Na"	64.015768
"1723095"	238.131193	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+NH4+HCOOH"	64.039293
"1191000"	81.0198513333333	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+3Na"	68.967654
"1660163"	243.086588	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Na+HCOOH"	68.994688
"167022"	425.10284	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+2K-H"	76.91904
"606945"	599.19474	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+2K-H"	76.91904
"1092553"	251.01094	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2K-H"	76.91904
"147182"	213.055058	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"2M+2K"	77.926316
"587837"	300.101008	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"3M+2K"	77.926316
"1071255"	126.009108	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2K"	77.926316
"1105556"	253.025492	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2K+H"	78.933592
"1336957"	253.113107	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+DMSO+H"	79.021207
"1005963"	257.152276	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2ACN+H"	83.060376
"1525063"	258.145908	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+IsoProp+Na+H"	84.054008
"993948"	129.079776	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+2ACN+2H"	84.067652
"1587191"	259.060528	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+K+HCOOH"	84.968628
"1414833"	289.092038	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+H+CF3COOH"	115.000138
"1148777"	149.593051	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+3ACN+2H"	125.094202
"1712516"	306.118585	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+NH4+CF3COOH"	132.026685
"1649295"	311.07398	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+Na+CF3COOH"	136.98208
"1579478"	327.04792	"C10665"	"Echinorine;Quinolinium 4-methoxy-1-methyl-"	"C11H12NO"	"174.0919"	"M+K+CF3COOH"	152.95602
"802916"	339.1471	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M"	0
"976813"	320.12871	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"67242"	225.090790666667	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"513362"	338.139824	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"890071"	112.041757333333	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"9740"	338.139824	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"445289"	507.713374	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"820544"	168.566274	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"80532"	677.286924	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"526656"	1016.434024	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"896075"	338.139824	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"48380"	694.313471	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"487333"	1033.460571	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"869641"	355.166371	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"38636"	699.268866	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"481116"	1038.415966	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"863742"	360.121766	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1629544"	360.121766	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"108990"	356.128163	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"548551"	525.701713	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"940244"	186.554613	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"279893"	713.263602	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"673043"	1052.410702	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1286176"	374.116502	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"27274"	715.242806	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"458454"	1054.389906	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"845004"	376.095706	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1558653"	376.095706	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"952001"	384.145294	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"368031"	723.292401	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"355195"	737.308051	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1502934"	398.160951	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"970113"	406.127251	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"121571"	374.116502	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"563319"	543.690052	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1034308"	204.542952	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1255705"	418.065985	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1315237"	420.121972	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1333826"	442.103929	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"916137"	452.132686	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1293945"	488.109364	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1373201"	304.134424	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1390700"	322.1444	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"293665"	679.301476	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"678432"	1018.448576	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1358060"	340.154376	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"134233"	340.154376	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"578173"	509.727926	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1049161"	170.580826	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"213779"	227.105342666667	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"650058"	340.154376	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1165995"	114.056309333333	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"426715"	696.328023	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"785693"	1035.475123	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1681610"	357.180923	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"331225"	348.6676495	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"724376"	518.2411995	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1477381"	179.0940995	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"393593"	701.283418	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"757143"	1040.430518	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1605611"	362.136318	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"320027"	351.145347	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"715732"	520.718897	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1469553"	181.571797	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1062799"	121.383623333333	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1271411"	372.180586	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"392624"	717.257358	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"753045"	1056.404458	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1552666"	378.110258	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"311300"	359.132317	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"705179"	528.705867	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1453896"	189.558767	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"244684"	720.328026	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1213382"	381.180926	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1195198"	191.094101	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"190136"	723.26536	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"630422"	1062.41246	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1132349"	384.11826	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"175398"	362.136318	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"616417"	531.709868	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1131117"	192.562768	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1413961"	128.710937333333	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1445587"	386.159846	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"235519"	367.16934	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1522444"	400.21189	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"424161"	370.123288	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"785034"	539.696838	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1679461"	200.549738	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"263795"	742.309968	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1237597"	403.162868	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1723205"	403.186393	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1192933"	136.038251333333	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1662095"	408.141788	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"167862"	755.21324	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"607420"	1094.36034	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1094486"	416.06614	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"150572"	378.110258	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"587947"	547.683808	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1070393"	208.536708	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1102386"	418.080692	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1337676"	418.168307	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1006439"	422.207476	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1524692"	423.201108	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"991864"	211.607376	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1587343"	424.115728	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1414581"	454.147238	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1148279"	232.120651	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1708287"	471.173785	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1649772"	476.12918	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1579588"	492.10312	"C10666"	"Evoprenine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"801524"	178.063	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M"	0
"976924"	159.04461	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-H2O-H"	-19.01839
"68445"	117.701390666667	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M-3H"	-3.021828
"516388"	177.055724	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M-3H"	-3.021828
"891275"	58.3470573333333	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-3H"	-3.021828
"9850"	177.055724	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M-2H"	-2.014552
"442120"	266.087224	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M-2H"	-2.014552
"820654"	88.024224	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-2H"	-2.014552
"79794"	355.118724	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M-H"	-1.007276
"526766"	533.181724	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M-H"	-1.007276
"898008"	177.055724	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-H"	-1.007276
"49101"	372.145271	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M-2H+NH4"	16.019271
"487688"	550.208271	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M-2H+NH4"	16.019271
"866466"	194.082271	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-2H+NH4"	16.019271
"31511"	377.100666	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M-2H+Na"	20.974666
"478309"	555.163666	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M-2H+Na"	20.974666
"857933"	199.037666	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-2H+Na"	20.974666
"1630747"	199.037666	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Na-2H"	20.974666
"102901"	195.044063	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M-H+Cl"	33.962126
"548540"	284.075563	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M-H+Cl"	33.962126
"939990"	106.012563	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-H+Cl"	33.962126
"281587"	391.095402	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+Cl"	34.969402
"674247"	569.158402	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+Cl"	34.969402
"1287014"	213.032402	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Cl"	34.969402
"27019"	393.074606	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M-2H+K"	36.948606
"460750"	571.137606	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M-2H+K"	36.948606
"844021"	215.011606	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-2H+K"	36.948606
"1557670"	215.011606	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+K-2H"	36.948606
"948832"	223.061194	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-H+HCOOH"	44.998194
"367048"	401.124201	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+HCOOH-H"	44.998201
"355305"	415.139851	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+Hac-H"	59.013851
"1503044"	237.076851	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Hac-H"	59.013851
"969493"	245.043151	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-H+NaCOOH"	66.980151
"121317"	213.032402	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+2Cl"	69.938804
"561971"	302.063902	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+2Cl"	69.938804
"1034780"	124.000902	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2Cl"	69.938804
"1255455"	256.981885	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Br"	78.918885
"1317535"	259.037872	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Cl+HCOOH"	80.974872
"1333936"	281.019829	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Cl+NaCOOH"	102.956829
"919527"	291.048586	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M-H+CF3COOH"	112.985586
"1295148"	327.025264	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Cl+CF3COOH"	148.962264
"1373311"	143.050324	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H-2H2O"	-35.012676
"1390810"	161.0603	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H-H2O"	-17.0027
"291588"	357.133276	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+H"	1.007276
"678542"	535.196276	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+H"	1.007276
"1358170"	179.070276	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H"	1.007276
"133250"	179.070276	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+2H"	2.014552
"570620"	268.101776	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+2H"	2.014552
"1043795"	90.038776	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2H"	2.014552
"205864"	119.715942666667	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+3H"	3.021828
"649076"	179.070276	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+3H"	3.021828
"1164283"	60.3616093333333	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+3H"	3.021828
"424880"	374.159823	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+NH4"	18.033823
"785907"	552.222823	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+NH4"	18.033823
"1681961"	196.096823	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+NH4"	18.033823
"330236"	187.5835495	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+H+NH4"	19.041099
"722942"	276.6150495	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+H+NH4"	19.041099
"1477123"	98.5520495	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H+NH4"	19.041099
"392929"	379.115218	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+Na"	22.989218
"755791"	557.178218	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+Na"	22.989218
"1603645"	201.052218	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Na"	22.989218
"320137"	190.061247	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+H+Na"	23.996494
"716935"	279.092747	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+H+Na"	23.996494
"1469663"	101.029747	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H+Na"	23.996494
"1064003"	67.6889233333333	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2H+Na"	25.00377
"1271521"	211.096486	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+CH3OH+H"	33.033486
"392569"	395.089158	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+K"	38.963158
"752183"	573.152158	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+K"	38.963158
"1553504"	217.026158	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+K"	38.963158
"312138"	198.048217	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+H+K"	39.970434
"706019"	287.079717	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+H+K"	39.970434
"1452913"	109.016717	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H+K"	39.970434
"244794"	398.159826	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+ACN+H"	42.033826
"1212034"	220.096826	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+ACN+H"	42.033826
"1194818"	110.552051	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+ACN+2H"	43.041102
"189153"	401.09716	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+2Na-H"	44.97116
"630531"	579.16016	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+2Na-H"	44.97116
"1131689"	223.03416	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2Na-H"	44.97116
"175144"	201.052218	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+2Na"	45.978436
"613978"	290.083718	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+2Na"	45.978436
"1126966"	112.020718	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2Na"	45.978436
"1407208"	75.0162373333333	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H+2Na"	46.985712
"1442606"	225.075746	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H+HCOOH"	47.012746
"235222"	206.08524	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+3H2O+2H"	56.04448
"1521460"	239.12779	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+IsoProp+H"	61.06479
"421146"	209.039188	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+Na+K"	61.952376
"785306"	298.070688	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+Na+K"	61.952376
"1681193"	120.007688	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Na+K"	61.952376
"264998"	420.141768	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+ACN+Na"	64.015768
"1237707"	242.078768	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+ACN+Na"	64.015768
"1725502"	242.102293	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+NH4+HCOOH"	64.039293
"1191584"	82.3435513333333	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+3Na"	68.967654
"1662569"	247.057688	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Na+HCOOH"	68.994688
"167241"	433.04504	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+2K-H"	76.91904
"606437"	611.10804	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+2K-H"	76.91904
"1093503"	254.98204	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2K-H"	76.91904
"149588"	217.026158	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"2M+2K"	77.926316
"588057"	306.057658	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"3M+2K"	77.926316
"1071475"	127.994658	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2K"	77.926316
"1102497"	256.996592	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2K+H"	78.933592
"1338880"	257.084207	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+DMSO+H"	79.021207
"1006069"	261.123376	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2ACN+H"	83.060376
"1525775"	262.117008	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+IsoProp+Na+H"	84.054008
"990153"	131.065326	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+2ACN+2H"	84.067652
"1588063"	263.031628	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+K+HCOOH"	84.968628
"1414328"	293.063138	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+H+CF3COOH"	115.000138
"1148997"	151.578601	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+3ACN+2H"	125.094202
"1709490"	310.089685	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+NH4+CF3COOH"	132.026685
"1648421"	315.04508	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+Na+CF3COOH"	136.98208
"1579698"	331.01902	"C10667"	"3-Acetyl-6-methoxybenzaldehyde"	"C10H10O3"	"178.063"	"M+K+CF3COOH"	152.95602
"806782"	269.0688	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M"	0
"980316"	250.05041	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-H2O-H"	-19.01839
"67464"	178.371924	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M-3H"	-3.021828
"510306"	268.061524	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M-3H"	-3.021828
"885920"	88.682324	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-3H"	-3.021828
"4494"	268.061524	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M-2H"	-2.014552
"446246"	402.595924	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M-2H"	-2.014552
"824047"	133.527124	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-2H"	-2.014552
"82945"	537.130324	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M-H"	-1.007276
"523597"	806.199124	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M-H"	-1.007276
"899210"	268.061524	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-H"	-1.007276
"47748"	554.156871	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M-2H+NH4"	16.019271
"487634"	823.225671	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M-2H+NH4"	16.019271
"864995"	285.088071	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-2H+NH4"	16.019271
"35573"	559.112266	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M-2H+Na"	20.974666
"486523"	828.181066	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M-2H+Na"	20.974666
"863272"	290.043466	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-2H+Na"	20.974666
"1633413"	290.043466	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Na-2H"	20.974666
"109213"	286.049863	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M-H+Cl"	33.962126
"549508"	420.584263	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M-H+Cl"	33.962126
"942173"	151.515463	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-H+Cl"	33.962126
"278652"	573.107002	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+Cl"	34.969402
"674846"	842.175802	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+Cl"	34.969402
"1286880"	304.038202	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Cl"	34.969402
"30416"	575.086206	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M-2H+K"	36.948606
"464140"	844.155006	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M-2H+K"	36.948606
"839755"	306.017406	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-2H+K"	36.948606
"1561057"	306.017406	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+K-2H"	36.948606
"950035"	314.066994	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-H+HCOOH"	44.998194
"367157"	583.135801	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+HCOOH-H"	44.998201
"349947"	597.151451	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+Hac-H"	59.013851
"1497686"	328.082651	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Hac-H"	59.013851
"969966"	336.048951	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-H+NaCOOH"	66.980151
"121061"	304.038202	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+2Cl"	69.938804
"562080"	438.572602	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+2Cl"	69.938804
"1034160"	169.503802	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2Cl"	69.938804
"1254104"	347.987685	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Br"	78.918885
"1315458"	350.043672	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Cl+HCOOH"	80.974872
"1334535"	372.025629	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Cl+NaCOOH"	102.956829
"923647"	382.054386	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M-H+CF3COOH"	112.985586
"1296351"	418.031064	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Cl+CF3COOH"	148.962264
"1371234"	234.056124	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H-2H2O"	-35.012676
"1394201"	252.0661	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H-H2O"	-17.0027
"285139"	539.144876	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+H"	1.007276
"680840"	808.213676	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+H"	1.007276
"1360469"	270.076076	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H"	1.007276
"136640"	270.076076	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+2H"	2.014552
"575105"	404.610476	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+2H"	2.014552
"1049371"	135.541676	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2H"	2.014552
"206704"	180.386476	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+3H"	3.021828
"651372"	270.076076	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+3H"	3.021828
"1165120"	90.696876	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+3H"	3.021828
"426572"	556.171423	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+NH4"	18.033823
"786834"	825.240223	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+NH4"	18.033823
"1682679"	287.102623	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+NH4"	18.033823
"331807"	278.5893495	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+H+NH4"	19.041099
"724595"	413.1237495	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+H+NH4"	19.041099
"1477682"	144.0549495	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H+NH4"	19.041099
"394538"	561.126818	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+Na"	22.989218
"756265"	830.195618	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+Na"	22.989218
"1605826"	292.058018	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Na"	22.989218
"320247"	281.067047	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+H+Na"	23.996494
"717043"	415.601447	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+H+Na"	23.996494
"1474145"	146.532647	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H+Na"	23.996494
"1064842"	98.02419	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2H+Na"	25.00377
"1271267"	302.102286	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+CH3OH+H"	33.033486
"392153"	577.100758	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+K"	38.963158
"752537"	846.169558	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+K"	38.963158
"1552522"	308.031958	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+K"	38.963158
"312248"	289.054017	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+H+K"	39.970434
"705037"	423.588417	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+H+K"	39.970434
"1456303"	154.519617	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H+K"	39.970434
"247091"	580.171426	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+ACN+H"	42.033826
"1211415"	311.102626	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+ACN+H"	42.033826
"1199307"	156.054951	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+ACN+2H"	43.041102
"191086"	583.10876	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+2Na-H"	44.97116
"631010"	852.17756	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+2Na-H"	44.97116
"1133789"	314.03996	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2Na-H"	44.97116
"177444"	292.058018	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+2Na"	45.978436
"615182"	426.592418	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+2Na"	45.978436
"1127076"	157.523618	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2Na"	45.978436
"1407319"	105.351504	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H+2Na"	46.985712
"1442716"	316.081546	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H+HCOOH"	47.012746
"233148"	297.09104	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+3H2O+2H"	56.04448
"1518657"	330.13359	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+IsoProp+H"	61.06479
"417977"	300.044988	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+Na+K"	61.952376
"783716"	434.579388	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+Na+K"	61.952376
"1678953"	165.510588	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Na+K"	61.952376
"263653"	602.153368	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+ACN+Na"	64.015768
"1237454"	333.084568	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+ACN+Na"	64.015768
"1723791"	333.108093	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+NH4+HCOOH"	64.039293
"1188781"	112.678818	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+3Na"	68.967654
"1663777"	338.063488	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Na+HCOOH"	68.994688
"169177"	615.05664	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+2K-H"	76.91904
"608008"	884.12544	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+2K-H"	76.91904
"1095072"	345.98784	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2K-H"	76.91904
"152618"	308.031958	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"2M+2K"	77.926316
"591448"	442.566358	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"3M+2K"	77.926316
"1077055"	173.497558	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2K"	77.926316
"1107347"	348.002392	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2K+H"	78.933592
"1344094"	348.090007	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+DMSO+H"	79.021207
"1015906"	352.129176	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2ACN+H"	83.060376
"1525281"	353.122808	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+IsoProp+Na+H"	84.054008
"995374"	176.568226	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+2ACN+2H"	84.067652
"1592066"	354.037428	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+K+HCOOH"	84.968628
"1417723"	384.068938	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+H+CF3COOH"	115.000138
"1149835"	197.081501	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+3ACN+2H"	125.094202
"1700851"	401.095485	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+NH4+CF3COOH"	132.026685
"1638683"	406.05088	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+Na+CF3COOH"	136.98208
"1573247"	422.02482	"C10668"	"Evoxanthidine"	"C15H11NO4"	"269.0688"	"M+K+CF3COOH"	152.95602
"802274"	668.2833	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M"	0
"975684"	649.26491	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-H2O-H"	-19.01839
"65387"	444.514924	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M-3H"	-3.021828
"508229"	667.276024	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M-3H"	-3.021828
"883844"	221.753824	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-3H"	-3.021828
"957"	667.276024	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M-2H"	-2.014552
"446356"	1001.417674	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M-2H"	-2.014552
"820877"	333.134374	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-2H"	-2.014552
"80017"	1335.559324	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M-H"	-1.007276
"523707"	2003.842624	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M-H"	-1.007276
"896522"	667.276024	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-H"	-1.007276
"48834"	1352.585871	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M-2H+NH4"	16.019271
"487140"	2020.869171	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M-2H+NH4"	16.019271
"864379"	684.302571	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-2H+NH4"	16.019271
"33250"	1357.541266	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M-2H+Na"	20.974666
"486551"	2025.824566	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M-2H+Na"	20.974666
"863384"	689.257966	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-2H+Na"	20.974666
"1633522"	689.257966	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Na-2H"	20.974666
"109768"	685.264363	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M-H+Cl"	33.962126
"548647"	1019.406013	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M-H+Cl"	33.962126
"941677"	351.122713	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-H+Cl"	33.962126
"278397"	1371.536002	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+Cl"	34.969402
"675076"	2039.819302	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+Cl"	34.969402
"1287961"	703.252702	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Cl"	34.969402
"30648"	1373.515206	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M-2H+K"	36.948606
"464250"	2041.798506	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M-2H+K"	36.948606
"842052"	705.231906	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-2H+K"	36.948606
"1558615"	705.231906	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+K-2H"	36.948606
"949052"	713.281494	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-H+HCOOH"	44.998194
"362894"	1381.564801	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+HCOOH-H"	44.998201
"348964"	1395.580451	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+Hac-H"	59.013851
"1497796"	727.297151	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Hac-H"	59.013851
"966431"	735.263451	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-H+NaCOOH"	66.980151
"121171"	703.252702	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+2Cl"	69.938804
"562554"	1037.394352	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+2Cl"	69.938804
"1033541"	369.111052	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2Cl"	69.938804
"1256401"	747.202185	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Br"	78.918885
"1319093"	749.258172	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Cl+HCOOH"	80.974872
"1335129"	771.240129	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Cl+NaCOOH"	102.956829
"923757"	781.268886	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M-H+CF3COOH"	112.985586
"1298648"	817.245564	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Cl+CF3COOH"	148.962264
"1374624"	633.270624	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H-2H2O"	-35.012676
"1387751"	651.2806	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H-H2O"	-17.0027
"285249"	1337.573876	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+H"	1.007276
"679856"	2005.857176	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+H"	1.007276
"1361672"	669.290576	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H"	1.007276
"136750"	669.290576	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+2H"	2.014552
"575215"	1003.432226	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+2H"	2.014552
"1046201"	335.148926	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2H"	2.014552
"207540"	446.529476	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+3H"	3.021828
"650387"	669.290576	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+3H"	3.021828
"1165229"	223.768376	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+3H"	3.021828
"425461"	1354.600423	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+NH4"	18.033823
"790955"	2022.883723	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+NH4"	18.033823
"1683276"	686.317123	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+NH4"	18.033823
"330335"	677.8038495	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+H+NH4"	19.041099
"722999"	1011.9454995	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+H+NH4"	19.041099
"1478035"	343.6621995	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H+NH4"	19.041099
"393799"	1359.555818	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+Na"	22.989218
"755645"	2027.839118	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+Na"	22.989218
"1604837"	691.272518	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Na"	22.989218
"319264"	680.281547	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+H+Na"	23.996494
"712778"	1014.423197	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+H+Na"	23.996494
"1474255"	346.139897	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H+Na"	23.996494
"1064224"	231.09569	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2H+Na"	25.00377
"1272105"	701.316786	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+CH3OH+H"	33.033486
"392346"	1375.529758	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+K"	38.963158
"752404"	2043.813058	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+K"	38.963158
"1550444"	707.246458	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+K"	38.963158
"311630"	688.268517	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+H+K"	39.970434
"702230"	1022.410167	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+H+K"	39.970434
"1457508"	354.126867	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H+K"	39.970434
"246107"	1378.600426	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+ACN+H"	42.033826
"1212254"	710.317126	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+ACN+H"	42.033826
"1199417"	355.662201	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+ACN+2H"	43.041102
"191196"	1381.53776	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+2Na-H"	44.97116
"630755"	2049.82106	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+2Na-H"	44.97116
"1134263"	713.25446	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2Na-H"	44.97116
"176462"	691.272518	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+2Na"	45.978436
"616749"	1025.414168	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+2Na"	45.978436
"1126092"	357.130868	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2Na"	45.978436
"1408522"	238.423004	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H+2Na"	46.985712
"1441734"	715.296046	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H+HCOOH"	47.012746
"234715"	696.30554	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+3H2O+2H"	56.04448
"1519496"	729.34809	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+IsoProp+H"	61.06479
"418452"	699.259488	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+Na+K"	61.952376
"783098"	1033.401138	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+Na+K"	61.952376
"1680402"	365.117838	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Na+K"	61.952376
"265586"	1400.582368	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+ACN+Na"	64.015768
"1240359"	732.299068	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+ACN+Na"	64.015768
"1726452"	732.322593	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+NH4+HCOOH"	64.039293
"1193264"	245.750318	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+3Na"	68.967654
"1664008"	737.277988	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Na+HCOOH"	68.994688
"168557"	1413.48564	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+2K-H"	76.91904
"608847"	2081.76894	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+2K-H"	76.91904
"1095182"	745.20234	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2K-H"	76.91904
"152727"	707.246458	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"2M+2K"	77.926316
"590465"	1041.388108	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"3M+2K"	77.926316
"1076434"	373.104808	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2K"	77.926316
"1104905"	747.216892	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2K+H"	78.933592
"1344568"	747.304507	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+DMSO+H"	79.021207
"1016014"	751.343676	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2ACN+H"	83.060376
"1525756"	752.337308	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+IsoProp+Na+H"	84.054008
"996577"	376.175476	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+2ACN+2H"	84.067652
"1592176"	753.251928	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+K+HCOOH"	84.968628
"1416740"	783.283438	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+H+CF3COOH"	115.000138
"1149945"	396.688751	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+3ACN+2H"	125.094202
"1697681"	800.309985	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+NH4+CF3COOH"	132.026685
"1638793"	805.26538	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+Na+CF3COOH"	136.98208
"1573357"	821.23932	"C10669"	"Agrimol C"	"C36H44O12"	"668.2833"	"M+K+CF3COOH"	152.95602
"810284"	347.1369	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M"	0
"981628"	328.11851	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-H2O-H"	-19.01839
"69872"	230.417324	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M-3H"	-3.021828
"510526"	346.129624	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M-3H"	-3.021828
"889421"	114.705024	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-3H"	-3.021828
"9088"	346.129624	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M-2H"	-2.014552
"453026"	519.698074	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M-2H"	-2.014552
"829734"	172.561174	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-2H"	-2.014552
"88632"	693.266524	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M-H"	-1.007276
"527097"	1040.403424	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M-H"	-1.007276
"896390"	346.129624	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-H"	-1.007276
"50526"	710.293071	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M-2H+NH4"	16.019271
"494463"	1057.429971	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M-2H+NH4"	16.019271
"875544"	363.156171	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-2H+NH4"	16.019271
"34699"	715.248466	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M-2H+Na"	20.974666
"486302"	1062.385366	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M-2H+Na"	20.974666
"864020"	368.111566	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-2H+Na"	20.974666
"1633919"	368.111566	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Na-2H"	20.974666
"109721"	364.117963	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M-H+Cl"	33.962126
"549730"	537.686413	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M-H+Cl"	33.962126
"942518"	190.549513	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-H+Cl"	33.962126
"278507"	729.243202	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+Cl"	34.969402
"675430"	1076.380102	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+Cl"	34.969402
"1285517"	382.106302	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Cl"	34.969402
"30510"	731.222406	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M-2H+K"	36.948606
"467642"	1078.359306	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M-2H+K"	36.948606
"846902"	384.085506	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-2H+K"	36.948606
"1562371"	384.085506	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+K-2H"	36.948606
"951349"	392.135094	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-H+HCOOH"	44.998194
"365192"	739.272001	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+HCOOH-H"	44.998201
"352355"	753.287651	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+Hac-H"	59.013851
"1497908"	406.150751	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Hac-H"	59.013851
"963262"	414.117051	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-H+NaCOOH"	66.980151
"121646"	382.106302	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+2Cl"	69.938804
"559385"	555.674752	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+2Cl"	69.938804
"1033653"	208.537852	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2Cl"	69.938804
"1255785"	426.055785	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Br"	78.918885
"1318961"	428.111772	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Cl+HCOOH"	80.974872
"1333904"	450.093729	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Cl+NaCOOH"	102.956829
"923869"	460.122486	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M-H+CF3COOH"	112.985586
"1299853"	496.099164	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Cl+CF3COOH"	148.962264
"1375828"	312.124224	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H-2H2O"	-35.012676
"1385672"	330.1342	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H-H2O"	-17.0027
"288641"	695.281076	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+H"	1.007276
"679967"	1042.417976	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+H"	1.007276
"1361784"	348.144176	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H"	1.007276
"129934"	348.144176	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+2H"	2.014552
"574232"	521.712626	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+2H"	2.014552
"1041208"	174.575726	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2H"	2.014552
"206922"	232.431876	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+3H"	3.021828
"649768"	348.144176	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+3H"	3.021828
"1167527"	116.719576	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+3H"	3.021828
"425451"	712.307623	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+NH4"	18.033823
"788877"	1059.444523	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+NH4"	18.033823
"1683018"	365.170723	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+NH4"	18.033823
"330284"	356.6574495	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+H+NH4"	19.041099
"723596"	530.2258995	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+H+NH4"	19.041099
"1477416"	183.0889995	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H+NH4"	19.041099
"394034"	717.263018	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+Na"	22.989218
"756124"	1064.399918	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+Na"	22.989218
"1603857"	370.126118	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Na"	22.989218
"321557"	359.135147	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+H+Na"	23.996494
"713980"	532.703597	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+H+Na"	23.996494
"1465612"	185.566697	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H+Na"	23.996494
"1057768"	124.04689	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2H+Na"	25.00377
"1272376"	380.170386	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+CH3OH+H"	33.033486
"392528"	733.236958	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+K"	38.963158
"751050"	1080.373858	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+K"	38.963158
"1547633"	386.100058	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+K"	38.963158
"306997"	367.122117	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+H+K"	39.970434
"699420"	540.690567	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+H+K"	39.970434
"1459804"	193.553667	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H+K"	39.970434
"240023"	736.307626	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+ACN+H"	42.033826
"1214552"	389.170726	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+ACN+H"	42.033826
"1197704"	195.089001	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+ACN+2H"	43.041102
"192763"	739.24496	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+2Na-H"	44.97116
"631956"	1086.38186	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+2Na-H"	44.97116
"1133639"	392.10806	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2Na-H"	44.97116
"175471"	370.126118	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+2Na"	45.978436
"616491"	543.694568	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+2Na"	45.978436
"1128390"	196.557668	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2Na"	45.978436
"1411912"	131.374204	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H+2Na"	46.985712
"1442940"	394.149646	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H+HCOOH"	47.012746
"233003"	375.15914	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+3H2O+2H"	56.04448
"1520334"	408.20169	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+IsoProp+H"	61.06479
"419290"	378.113088	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+Na+K"	61.952376
"785402"	551.681538	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+Na+K"	61.952376
"1679907"	204.544638	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Na+K"	61.952376
"265943"	758.289568	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+ACN+Na"	64.015768
"1240230"	411.152668	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+ACN+Na"	64.015768
"1727902"	411.176193	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+NH4+HCOOH"	64.039293
"1194028"	138.701518	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+3Na"	68.967654
"1665531"	416.131588	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Na+HCOOH"	68.994688
"169398"	771.19284	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+2K-H"	76.91904
"608229"	1118.32974	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+2K-H"	76.91904
"1097115"	424.05594	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2K-H"	76.91904
"154296"	386.100058	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"2M+2K"	77.926316
"592397"	559.668508	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"3M+2K"	77.926316
"1077272"	212.531608	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2K"	77.926316
"1102828"	426.070492	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2K+H"	78.933592
"1339212"	426.158107	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+DMSO+H"	79.021207
"1011020"	430.197276	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2ACN+H"	83.060376
"1526960"	431.190908	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+IsoProp+Na+H"	84.054008
"994502"	215.602276	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+2ACN+2H"	84.067652
"1591188"	432.105528	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+K+HCOOH"	84.968628
"1417942"	462.137038	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+H+CF3COOH"	115.000138
"1150420"	236.115551	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+3ACN+2H"	125.094202
"1706540"	479.163585	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+NH4+CF3COOH"	132.026685
"1647658"	484.11898	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+Na+CF3COOH"	136.98208
"1580028"	500.09292	"C10670"	"Evoxine;23-Butanediol 1-((48-dimethoxyfuro(23-b)quinolin-7-yl)oxy)-3-methyl- ()-"	"C18H21NO6"	"347.1369"	"M+K+CF3COOH"	152.95602
"801437"	474.2254	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M"	0
"975175"	455.20701	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-H2O-H"	-19.01839
"67792"	315.142990666667	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M-3H"	-3.021828
"507354"	473.218124	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M-3H"	-3.021828
"884061"	157.067857333333	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-3H"	-3.021828
"67"	473.218124	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M-2H"	-2.014552
"449856"	710.330824	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M-2H"	-2.014552
"824377"	236.105424	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-2H"	-2.014552
"86554"	947.443524	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M-H"	-1.007276
"520646"	1421.668924	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M-H"	-1.007276
"895727"	473.218124	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-H"	-1.007276
"47210"	964.470071	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M-2H+NH4"	16.019271
"494573"	1438.695471	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M-2H+NH4"	16.019271
"872374"	490.244671	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-2H+NH4"	16.019271
"34807"	969.425466	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M-2H+Na"	20.974666
"485068"	1443.650866	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M-2H+Na"	20.974666
"857643"	495.200066	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-2H+Na"	20.974666
"1633586"	495.200066	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Na-2H"	20.974666
"109660"	491.206463	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M-H+Cl"	33.962126
"549636"	728.319163	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M-H+Cl"	33.962126
"942587"	254.093763	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-H+Cl"	33.962126
"278617"	983.420202	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+Cl"	34.969402
"674685"	1457.645602	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+Cl"	34.969402
"1283440"	509.194802	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Cl"	34.969402
"30134"	985.399406	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M-2H+K"	36.948606
"466293"	1459.624806	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M-2H+K"	36.948606
"847011"	511.174006	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-2H+K"	36.948606
"1561387"	511.174006	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+K-2H"	36.948606
"944167"	519.223594	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-H+HCOOH"	44.998194
"366397"	993.449001	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+HCOOH-H"	44.998201
"349186"	1007.464651	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+Hac-H"	59.013851
"1494738"	533.239251	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Hac-H"	59.013851
"960093"	541.205551	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-H+NaCOOH"	66.980151
"118475"	509.194802	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+2Cl"	69.938804
"559495"	746.307502	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+2Cl"	69.938804
"1035829"	272.082102	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2Cl"	69.938804
"1255531"	553.144285	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Br"	78.918885
"1319761"	555.200272	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Cl+HCOOH"	80.974872
"1332920"	577.182229	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Cl+NaCOOH"	102.956829
"921062"	587.210986	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M-H+CF3COOH"	112.985586
"1301056"	623.187664	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Cl+CF3COOH"	148.962264
"1377031"	439.212724	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H-2H2O"	-35.012676
"1386877"	457.2227	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H-H2O"	-17.0027
"288751"	949.458076	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+H"	1.007276
"678985"	1423.683476	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+H"	1.007276
"1355335"	475.232676	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H"	1.007276
"131503"	475.232676	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+2H"	2.014552
"569602"	712.345376	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+2H"	2.014552
"1043141"	238.119976	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2H"	2.014552
"206786"	317.157542666667	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+3H"	3.021828
"650607"	475.232676	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+3H"	3.021828
"1168366"	159.082409333333	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+3H"	3.021828
"428358"	966.484623	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+NH4"	18.033823
"787894"	1440.710023	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+NH4"	18.033823
"1683495"	492.259223	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+NH4"	18.033823
"330315"	483.7459495	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+H+NH4"	19.041099
"723015"	720.8586495	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+H+NH4"	19.041099
"1479110"	246.6332495	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H+NH4"	19.041099
"394144"	971.440018	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+Na"	22.989218
"758058"	1445.665418	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+Na"	22.989218
"1603967"	497.214618	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Na"	22.989218
"316190"	486.223647	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+H+Na"	23.996494
"715183"	723.336347	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+H+Na"	23.996494
"1463536"	249.110947	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H+Na"	23.996494
"1057878"	166.409723333333	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2H+Na"	25.00377
"1271227"	507.258886	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+CH3OH+H"	33.033486
"392353"	987.413958	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+K"	38.963158
"752618"	1461.639358	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+K"	38.963158
"1546649"	513.188558	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+K"	38.963158
"309293"	494.210617	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+H+K"	39.970434
"698437"	731.323317	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+H+K"	39.970434
"1460642"	257.097917	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H+K"	39.970434
"244142"	990.484626	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+ACN+H"	42.033826
"1213568"	516.259226	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+ACN+H"	42.033826
"1200730"	258.633251	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+ACN+2H"	43.041102
"194695"	993.42196	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+2Na-H"	44.97116
"632796"	1467.64736	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+2Na-H"	44.97116
"1135207"	519.19656	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2Na-H"	44.97116
"176313"	497.214618	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+2Na"	45.978436
"616239"	734.327318	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+2Na"	45.978436
"1129472"	260.101918	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2Na"	45.978436
"1409835"	173.737037333333	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H+2Na"	46.985712
"1443413"	521.238146	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H+HCOOH"	47.012746
"231649"	502.24764	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+3H2O+2H"	56.04448
"1521900"	535.29019	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+IsoProp+H"	61.06479
"416118"	505.201588	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+Na+K"	61.952376
"782949"	742.314288	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+Na+K"	61.952376
"1679286"	268.088888	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Na+K"	61.952376
"264716"	1012.466568	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+ACN+Na"	64.015768
"1239608"	538.241168	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+ACN+Na"	64.015768
"1726916"	538.264693	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+NH4+HCOOH"	64.039293
"1193365"	181.064351333333	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+3Na"	68.967654
"1665077"	543.220088	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Na+HCOOH"	68.994688
"168048"	1025.36984	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+2K-H"	76.91904
"609795"	1499.59524	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+2K-H"	76.91904
"1093214"	551.14444	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2K-H"	76.91904
"147842"	513.188558	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"2M+2K"	77.926316
"596762"	750.301258	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"3M+2K"	77.926316
"1074102"	276.075858	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2K"	77.926316
"1105125"	553.158992	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2K+H"	78.933592
"1338230"	553.246607	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+DMSO+H"	79.021207
"1006880"	557.285776	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2ACN+H"	83.060376
"1529259"	558.279408	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+IsoProp+Na+H"	84.054008
"993519"	279.146526	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+2ACN+2H"	84.067652
"1588021"	559.194028	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+K+HCOOH"	84.968628
"1416230"	589.225538	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+H+CF3COOH"	115.000138
"1148343"	299.659801	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+3ACN+2H"	125.094202
"1706650"	606.252085	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+NH4+CF3COOH"	132.026685
"1647768"	611.20748	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+Na+CF3COOH"	136.98208
"1580138"	627.18142	"C10671"	"Agrimophol"	"C26H34O8"	"474.2254"	"M+K+CF3COOH"	152.95602
"801791"	460.2097	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M"	0
"974674"	441.19131	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-H2O-H"	-19.01839
"67902"	305.799190666667	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M-3H"	-3.021828
"506368"	459.202424	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M-3H"	-3.021828
"881985"	152.395957333333	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-3H"	-3.021828
"314"	459.202424	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M-2H"	-2.014552
"444497"	689.307274	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M-2H"	-2.014552
"824487"	229.097574	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-2H"	-2.014552
"85571"	919.412124	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M-H"	-1.007276
"519173"	1379.621824	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M-H"	-1.007276
"896039"	459.202424	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-H"	-1.007276
"47170"	936.438671	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M-2H+NH4"	16.019271
"488242"	1396.648371	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M-2H+NH4"	16.019271
"872484"	476.228971	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-2H+NH4"	16.019271
"34917"	941.394066	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M-2H+Na"	20.974666
"485786"	1401.603766	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M-2H+Na"	20.974666
"855566"	481.184366	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-2H+Na"	20.974666
"1632396"	481.184366	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Na-2H"	20.974666
"107461"	477.190763	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M-H+Cl"	33.962126
"549338"	707.295613	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M-H+Cl"	33.962126
"942723"	247.085913	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-H+Cl"	33.962126
"278727"	955.388802	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+Cl"	34.969402
"673824"	1415.598502	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+Cl"	34.969402
"1283549"	495.179102	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Cl"	34.969402
"29028"	957.368006	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M-2H+K"	36.948606
"466767"	1417.577706	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M-2H+K"	36.948606
"846757"	497.158306	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-2H+K"	36.948606
"1565869"	497.158306	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+K-2H"	36.948606
"943589"	505.207894	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-H+HCOOH"	44.998194
"362861"	965.417601	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+HCOOH-H"	44.998201
"348203"	979.433251	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+Hac-H"	59.013851
"1495212"	519.223551	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Hac-H"	59.013851
"959349"	527.189851	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-H+NaCOOH"	66.980151
"115670"	495.179102	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+2Cl"	69.938804
"559605"	725.283952	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+2Cl"	69.938804
"1034237"	265.074252	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2Cl"	69.938804
"1257019"	539.128585	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Br"	78.918885
"1318451"	541.184572	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Cl+HCOOH"	80.974872
"1330113"	563.166529	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Cl+NaCOOH"	102.956829
"917892"	573.195286	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M-H+CF3COOH"	112.985586
"1303717"	609.171964	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Cl+CF3COOH"	148.962264
"1377141"	425.197024	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H-2H2O"	-35.012676
"1384799"	443.207	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H-H2O"	-17.0027
"285581"	921.426676	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+H"	1.007276
"679095"	1381.636376	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+H"	1.007276
"1356539"	461.216976	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H"	1.007276
"129061"	461.216976	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+2H"	2.014552
"566229"	691.321826	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+2H"	2.014552
"1038878"	231.112126	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2H"	2.014552
"206775"	307.813742666667	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+3H"	3.021828
"648529"	461.216976	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+3H"	3.021828
"1168476"	154.410509333333	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+3H"	3.021828
"428468"	938.453223	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+NH4"	18.033823
"787640"	1398.662923	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+NH4"	18.033823
"1682875"	478.243523	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+NH4"	18.033823
"331517"	469.7302495	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+H+NH4"	19.041099
"724669"	699.8350995	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+H+NH4"	19.041099
"1477392"	239.6253995	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H+NH4"	19.041099
"393155"	943.408618	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+Na"	22.989218
"755248"	1403.618318	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+Na"	22.989218
"1604805"	483.198918	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Na"	22.989218
"317396"	472.207947	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+H+Na"	23.996494
"708731"	702.312797	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+H+Na"	23.996494
"1463645"	242.103097	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H+Na"	23.996494
"1059081"	161.737823333333	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2H+Na"	25.00377
"1267691"	493.243186	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+CH3OH+H"	33.033486
"392586"	959.382558	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+K"	38.963158
"751270"	1419.592258	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+K"	38.963158
"1546759"	499.172858	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+K"	38.963158
"310132"	480.194917	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+H+K"	39.970434
"698547"	710.299767	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+H+K"	39.970434
"1458929"	250.090067	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H+K"	39.970434
"244252"	962.453226	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+ACN+H"	42.033826
"1212585"	502.243526	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+ACN+H"	42.033826
"1198653"	251.625401	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+ACN+2H"	43.041102
"196991"	965.39056	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+2Na-H"	44.97116
"633271"	1425.60026	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+2Na-H"	44.97116
"1140057"	505.18086	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2Na-H"	44.97116
"177149"	483.198918	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+2Na"	45.978436
"616349"	713.303768	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+2Na"	45.978436
"1123135"	253.094068	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2Na"	45.978436
"1405572"	169.065137333333	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H+2Na"	46.985712
"1439878"	507.222446	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H+HCOOH"	47.012746
"228480"	488.23194	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+3H2O+2H"	56.04448
"1519459"	521.27449	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+IsoProp+H"	61.06479
"419877"	491.185888	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+Na+K"	61.952376
"783795"	721.290738	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+Na+K"	61.952376
"1679027"	261.081038	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Na+K"	61.952376
"265922"	984.435168	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+ACN+Na"	64.015768
"1240079"	524.225468	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+ACN+Na"	64.015768
"1726420"	524.248993	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+NH4+HCOOH"	64.039293
"1192865"	176.392451333333	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+3Na"	68.967654
"1663488"	529.204388	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Na+HCOOH"	68.994688
"170347"	997.33844	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+2K-H"	76.91904
"610271"	1457.54814	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+2K-H"	76.91904
"1095512"	537.12874	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2K-H"	76.91904
"152691"	499.172858	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"2M+2K"	77.926316
"595899"	729.277708	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"3M+2K"	77.926316
"1074212"	269.068008	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2K"	77.926316
"1105235"	539.143292	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2K+H"	78.933592
"1338341"	539.230907	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+DMSO+H"	79.021207
"1009058"	543.270076	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2ACN+H"	83.060376
"1529369"	544.263708	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+IsoProp+Na+H"	84.054008
"993630"	272.138676	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+2ACN+2H"	84.067652
"1588495"	545.178328	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+K+HCOOH"	84.968628
"1415611"	575.209838	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+H+CF3COOH"	115.000138
"1148089"	292.651951	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+3ACN+2H"	125.094202
"1706760"	592.236385	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+NH4+CF3COOH"	132.026685
"1648971"	597.19178	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+Na+CF3COOH"	136.98208
"1580248"	613.16572	"C10672"	"Aspidin"	"C25H32O8"	"460.2097"	"M+K+CF3COOH"	152.95602
"804052"	224.1049	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M"	0
"977583"	205.08651	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-H2O-H"	-19.01839
"69106"	148.395990666667	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M-3H"	-3.021828
"510851"	223.097624	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M-3H"	-3.021828
"885375"	73.6943573333333	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-3H"	-3.021828
"3949"	223.097624	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M-2H"	-2.014552
"451168"	335.150074	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M-2H"	-2.014552
"821314"	111.045174	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-2H"	-2.014552
"88961"	447.202524	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M-H"	-1.007276
"519767"	671.307424	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M-H"	-1.007276
"895822"	223.097624	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-H"	-1.007276
"47729"	464.229071	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M-2H+NH4"	16.019271
"492604"	688.333971	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M-2H+NH4"	16.019271
"866031"	240.124171	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-2H+NH4"	16.019271
"36120"	469.184466	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M-2H+Na"	20.974666
"485531"	693.289366	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M-2H+Na"	20.974666
"857863"	245.079566	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-2H+Na"	20.974666
"1632994"	245.079566	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Na-2H"	20.974666
"108299"	241.085963	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M-H+Cl"	33.962126
"546767"	353.138413	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M-H+Cl"	33.962126
"942359"	129.033513	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-H+Cl"	33.962126
"278837"	483.179202	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+Cl"	34.969402
"674664"	707.284102	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+Cl"	34.969402
"1280379"	259.074302	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Cl"	34.969402
"29867"	485.158406	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M-2H+K"	36.948606
"466877"	709.263306	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M-2H+K"	36.948606
"847599"	261.053506	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-2H+K"	36.948606
"1567072"	261.053506	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+K-2H"	36.948606
"946211"	269.103094	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-H+HCOOH"	44.998194
"366618"	493.208001	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+HCOOH-H"	44.998201
"350501"	507.223651	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+Hac-H"	59.013851
"1493256"	283.118751	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Hac-H"	59.013851
"958686"	291.085051	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-H+NaCOOH"	66.980151
"119790"	259.074302	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+2Cl"	69.938804
"561902"	371.126752	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+2Cl"	69.938804
"1036782"	147.021852	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2Cl"	69.938804
"1256360"	303.023785	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Br"	78.918885
"1318924"	305.079772	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Cl+HCOOH"	80.974872
"1332410"	327.061729	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Cl+NaCOOH"	102.956829
"918002"	337.090486	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M-H+CF3COOH"	112.985586
"1302368"	373.067164	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Cl+CF3COOH"	148.962264
"1377251"	189.092224	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H-2H2O"	-35.012676
"1384909"	207.1022	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H-H2O"	-17.0027
"286784"	449.217076	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+H"	1.007276
"677381"	673.321976	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+H"	1.007276
"1358834"	225.112176	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H"	1.007276
"132817"	225.112176	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+2H"	2.014552
"568001"	337.164626	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+2H"	2.014552
"1040445"	113.059726	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2H"	2.014552
"208345"	150.410542666667	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+3H"	3.021828
"645717"	225.112176	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+3H"	3.021828
"1168220"	75.7089093333333	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+3H"	3.021828
"426509"	466.243623	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+NH4"	18.033823
"787749"	690.348523	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+NH4"	18.033823
"1681768"	242.138723	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+NH4"	18.033823
"333816"	233.6254495	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+H+NH4"	19.041099
"724415"	345.6778995	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+H+NH4"	19.041099
"1479691"	121.5729995	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H+NH4"	19.041099
"395822"	471.199018	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+Na"	22.989218
"755965"	695.303918	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+Na"	22.989218
"1604552"	247.094118	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Na"	22.989218
"316777"	236.103147	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+H+Na"	23.996494
"709933"	348.155597	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+H+Na"	23.996494
"1464848"	124.050697	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H+Na"	23.996494
"1060284"	83.0362233333333	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2H+Na"	25.00377
"1269260"	257.138386	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+CH3OH+H"	33.033486
"391480"	487.172958	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+K"	38.963158
"746640"	711.277858	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+K"	38.963158
"1547962"	263.068058	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+K"	38.963158
"310971"	244.090117	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+H+K"	39.970434
"697564"	356.142567	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+H+K"	39.970434
"1457947"	132.037667	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H+K"	39.970434
"242175"	490.243626	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+ACN+H"	42.033826
"1212695"	266.138726	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+ACN+H"	42.033826
"1198762"	133.573001	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+ACN+2H"	43.041102
"194915"	493.18096	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+2Na-H"	44.97116
"633383"	717.28586	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+2Na-H"	44.97116
"1141991"	269.07606	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2Na-H"	44.97116
"177992"	247.094118	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+2Na"	45.978436
"619737"	359.146568	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+2Na"	45.978436
"1118510"	135.041668	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2Na"	45.978436
"1406775"	90.3635373333333	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H+2Na"	46.985712
"1442174"	271.117646	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H+HCOOH"	47.012746
"234425"	252.12714	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+3H2O+2H"	56.04448
"1521395"	285.16969	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+IsoProp+H"	61.06479
"422544"	255.081088	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+Na+K"	61.952376
"783176"	367.133538	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+Na+K"	61.952376
"1676587"	143.028638	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Na+K"	61.952376
"263471"	512.225568	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+ACN+Na"	64.015768
"1238365"	288.120668	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+ACN+Na"	64.015768
"1727258"	288.144193	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+NH4+HCOOH"	64.039293
"1192001"	97.6908513333333	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+3Na"	68.967654
"1662136"	293.099588	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Na+HCOOH"	68.994688
"171428"	525.12884	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+2K-H"	76.91904
"607828"	749.23374	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+2K-H"	76.91904
"1095621"	301.02394	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2K-H"	76.91904
"149155"	263.068058	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"2M+2K"	77.926316
"591996"	375.120508	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"3M+2K"	77.926316
"1073228"	151.015608	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2K"	77.926316
"1105343"	303.038492	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2K+H"	78.933592
"1339543"	303.126107	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+DMSO+H"	79.021207
"1010261"	307.165276	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2ACN+H"	83.060376
"1529479"	308.158908	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+IsoProp+Na+H"	84.054008
"994833"	154.086276	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+2ACN+2H"	84.067652
"1588605"	309.073528	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+K+HCOOH"	84.968628
"1417179"	339.105038	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+H+CF3COOH"	115.000138
"1148928"	174.599551	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+3ACN+2H"	125.094202
"1705777"	356.131585	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+NH4+CF3COOH"	132.026685
"1645801"	361.08698	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+Na+CF3COOH"	136.98208
"1580358"	377.06092	"C10673"	"Aspidinol"	"C12H16O4"	"224.1049"	"M+K+CF3COOH"	152.95602
"804162"	212.0685	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M"	0
"977695"	193.05011	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-H2O-H"	-19.01839
"67028"	140.371724	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M-3H"	-3.021828
"509868"	211.061224	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M-3H"	-3.021828
"885485"	69.682224	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-3H"	-3.021828
"3330"	211.061224	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M-2H"	-2.014552
"443620"	317.095474	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M-2H"	-2.014552
"821424"	105.026974	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-2H"	-2.014552
"83602"	423.129724	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M-H"	-1.007276
"519638"	635.198224	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M-H"	-1.007276
"895971"	211.061224	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-H"	-1.007276
"47710"	440.156271	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M-2H+NH4"	16.019271
"487719"	652.224771	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M-2H+NH4"	16.019271
"864796"	228.087771	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-2H+NH4"	16.019271
"36230"	445.111666	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M-2H+Na"	20.974666
"486254"	657.180166	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M-2H+Na"	20.974666
"857973"	233.043166	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-2H+Na"	20.974666
"1631880"	233.043166	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Na-2H"	20.974666
"108409"	229.049563	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M-H+Cl"	33.962126
"546877"	335.083813	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M-H+Cl"	33.962126
"941736"	123.015313	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-H+Cl"	33.962126
"278947"	459.106402	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+Cl"	34.969402
"674044"	671.174902	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+Cl"	34.969402
"1283770"	247.037902	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Cl"	34.969402
"28517"	461.085606	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M-2H+K"	36.948606
"462610"	673.154106	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M-2H+K"	36.948606
"844787"	249.017106	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-2H+K"	36.948606
"1564993"	249.017106	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+K-2H"	36.948606
"945228"	257.066694	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-H+HCOOH"	44.998194
"365634"	469.135201	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+HCOOH-H"	44.998201
"346104"	483.150851	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+Hac-H"	59.013851
"1492892"	271.082351	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Hac-H"	59.013851
"958580"	279.048651	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-H+NaCOOH"	66.980151
"110178"	247.037902	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+2Cl"	69.938804
"555451"	353.072152	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+2Cl"	69.938804
"1032633"	141.003652	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2Cl"	69.938804
"1255857"	290.987385	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Br"	78.918885
"1316117"	293.043372	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Cl+HCOOH"	80.974872
"1330333"	315.025329	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Cl+NaCOOH"	102.956829
"918112"	325.054086	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M-H+CF3COOH"	112.985586
"1302113"	361.030764	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Cl+CF3COOH"	148.962264
"1380275"	177.055824	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H-2H2O"	-35.012676
"1387206"	195.0658	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H-H2O"	-17.0027
"287986"	425.144276	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+H"	1.007276
"677127"	637.212776	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+H"	1.007276
"1352745"	213.075776	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H"	1.007276
"127821"	213.075776	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+2H"	2.014552
"567749"	319.110026	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+2H"	2.014552
"1038245"	107.041526	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2H"	2.014552
"206996"	142.386276	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+3H"	3.021828
"646922"	213.075776	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+3H"	3.021828
"1168331"	71.696776	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+3H"	3.021828
"424434"	442.170823	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+NH4"	18.033823
"786887"	654.239323	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+NH4"	18.033823
"1682732"	230.102323	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+NH4"	18.033823
"330150"	221.5890495	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+H+NH4"	19.041099
"723582"	327.6232995	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+H+NH4"	19.041099
"1477615"	115.5547995	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H+NH4"	19.041099
"394473"	447.126218	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+Na"	22.989218
"755468"	659.194718	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+Na"	22.989218
"1603692"	235.057718	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Na"	22.989218
"315429"	224.066747	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+H+Na"	23.996494
"710046"	330.100997	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+H+Na"	23.996494
"1467148"	118.032497	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H+Na"	23.996494
"1054557"	79.02409	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2H+Na"	25.00377
"1269735"	245.101986	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+CH3OH+H"	33.033486
"391955"	463.100158	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+K"	38.963158
"750030"	675.168658	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+K"	38.963158
"1552811"	251.031658	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+K"	38.963158
"309259"	232.053717	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+H+K"	39.970434
"697673"	338.087967	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+H+K"	39.970434
"1458421"	126.019467	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H+K"	39.970434
"240098"	466.170826	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+ACN+H"	42.033826
"1214991"	254.102326	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+ACN+H"	42.033826
"1204340"	127.554801	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+ACN+2H"	43.041102
"197212"	469.10816	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+2Na-H"	44.97116
"638960"	681.17666	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+2Na-H"	44.97116
"1141372"	257.03966	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2Na-H"	44.97116
"183204"	235.057718	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+2Na"	45.978436
"626045"	341.091968	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+2Na"	45.978436
"1124447"	129.023468	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2Na"	45.978436
"1407981"	86.351404	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H+2Na"	46.985712
"1437910"	259.081246	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H+HCOOH"	47.012746
"233440"	240.09074	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+3H2O+2H"	56.04448
"1516763"	273.13329	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+IsoProp+H"	61.06479
"422285"	243.044688	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+Na+K"	61.952376
"778539"	349.078938	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+Na+K"	61.952376
"1674875"	137.010438	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Na+K"	61.952376
"259206"	488.152768	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+ACN+Na"	64.015768
"1238477"	276.084268	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+ACN+Na"	64.015768
"1724447"	276.107793	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+NH4+HCOOH"	64.039293
"1191625"	93.678718	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+3Na"	68.967654
"1663705"	281.063188	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Na+HCOOH"	68.994688
"170445"	501.05604	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+2K-H"	76.91904
"609031"	713.12454	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+2K-H"	76.91904
"1095731"	288.98754	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2K-H"	76.91904
"150359"	251.031658	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"2M+2K"	77.926316
"593929"	357.065908	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"3M+2K"	77.926316
"1071152"	144.997408	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2K"	77.926316
"1100713"	291.002092	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2K+H"	78.933592
"1338560"	291.089707	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+DMSO+H"	79.021207
"1008182"	295.128876	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2ACN+H"	83.060376
"1525211"	296.122508	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+IsoProp+Na+H"	84.054008
"993849"	148.068076	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+2ACN+2H"	84.067652
"1587742"	297.037128	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+K+HCOOH"	84.968628
"1414200"	327.068638	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+H+CF3COOH"	115.000138
"1148673"	168.581351	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+3ACN+2H"	125.094202
"1704793"	344.095185	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+NH4+CF3COOH"	132.026685
"1642631"	349.05058	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+Na+CF3COOH"	136.98208
"1580468"	365.02452	"C10674"	"Danielone"	"C10H12O5"	"212.0685"	"M+K+CF3COOH"	152.95602
"801798"	152.0473	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M"	0
"975982"	133.02891	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"66044"	100.357590666667	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"506698"	151.040024	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"881221"	49.6751573333333	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"3076"	151.040024	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"443730"	227.063674	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"818859"	75.016374	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"83712"	303.087324	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"519988"	455.134624	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"895999"	151.040024	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"47380"	320.113871	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"487505"	472.161171	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"864910"	168.066571	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"36340"	325.069266	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"473961"	477.116566	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"858083"	173.021966	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1630897"	173.021966	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"106333"	169.028363	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"546987"	245.052013	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"942091"	93.004713	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"281122"	339.064002	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"672572"	491.111302	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1287160"	187.016702	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"27534"	341.043206	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"462720"	493.090506	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"844897"	188.995906	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1565104"	188.995906	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"952985"	197.045494	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"363557"	349.092801	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"346577"	363.108451	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1493098"	211.061151	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"959186"	219.027451	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"110447"	187.016702	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"550456"	263.040352	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1029826"	110.993052	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1254508"	230.966185	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1316956"	233.022172	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1329350"	255.004129	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"918221"	265.032886	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1299307"	301.009564	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1375282"	117.034624	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1389503"	135.0446	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"288096"	305.101876	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"679423"	457.149176	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1351755"	153.054576	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"127201"	153.054576	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"567128"	229.078226	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1038842"	77.030926	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"206740"	102.372142666667	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"645570"	153.054576	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1165525"	51.6897093333333	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"426248"	322.128423	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"787970"	474.175723	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1684300"	170.081123	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"331239"	161.5678495	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"724390"	237.5914995	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1480640"	85.5441995	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"396770"	327.083818	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"755699"	479.131118	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1603435"	175.036518	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"315415"	164.045547	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"709782"	240.069197	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1463978"	88.021897	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1062693"	59.0170233333333	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1269115"	185.080786	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"389877"	343.057758	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"751599"	495.105058	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1550372"	191.010458	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"313628"	172.032517	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"701064"	248.056167	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1458167"	96.008867	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"240207"	346.128426	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1215100"	194.081126	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1198982"	97.544201	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"195135"	349.06576	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"634695"	501.11306	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1139295"	197.01846	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"181491"	175.036518	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"622145"	251.060168	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1125651"	99.012868	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1408093"	66.3443373333333	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1436927"	199.060046	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"233915"	180.06954	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1516873"	213.11209	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"422028"	183.023488	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"778649"	259.047138	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1679967"	106.999838	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"261503"	368.110368	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1238222"	216.063068	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1724921"	216.086593	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1191735"	73.6716513333333	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1663815"	221.041988	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"169583"	381.01364	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"609870"	533.06094	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1094748"	228.96634	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"152655"	191.010458	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"587842"	267.034108	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1071262"	114.986808	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1100822"	230.980892	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1338670"	231.068507	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1006346"	235.107676	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1524952"	236.101308	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"991773"	118.057476	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1587487"	237.015928	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1414963"	267.047438	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1148783"	138.570751	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1707090"	284.073985	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1642741"	289.02938	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1580578"	305.00332	"C10675"	"34-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"810946"	229.0739	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M"	0
"984479"	210.05551	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-H2O-H"	-19.01839
"67253"	151.708657333333	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M-3H"	-3.021828
"514469"	228.066624	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M-3H"	-3.021828
"885709"	75.3506906666667	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-3H"	-3.021828
"9753"	228.066624	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M-2H"	-2.014552
"450405"	342.603574	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M-2H"	-2.014552
"824926"	113.529674	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-2H"	-2.014552
"84187"	457.140524	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M-H"	-1.007276
"527758"	686.214424	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M-H"	-1.007276
"902279"	228.066624	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-H"	-1.007276
"52281"	474.167071	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M-2H+NH4"	16.019271
"489658"	703.240971	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M-2H+NH4"	16.019271
"867459"	245.093171	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-2H+NH4"	16.019271
"35357"	479.122466	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M-2H+Na"	20.974666
"486729"	708.196366	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M-2H+Na"	20.974666
"863999"	250.048566	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-2H+Na"	20.974666
"1634019"	250.048566	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Na-2H"	20.974666
"109818"	246.054963	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M-H+Cl"	33.962126
"549879"	360.591913	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M-H+Cl"	33.962126
"942754"	131.518013	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-H+Cl"	33.962126
"279167"	493.117202	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+Cl"	34.969402
"671594"	722.191102	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+Cl"	34.969402
"1283996"	264.043302	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Cl"	34.969402
"26551"	495.096406	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M-2H+K"	36.948606
"465020"	724.170306	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M-2H+K"	36.948606
"845013"	266.022506	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-2H+K"	36.948606
"1557564"	266.022506	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+K-2H"	36.948606
"948726"	274.072094	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-H+HCOOH"	44.998194
"368041"	503.146001	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+HCOOH-H"	44.998201
"349009"	517.161651	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+Hac-H"	59.013851
"1498935"	288.087751	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Hac-H"	59.013851
"961738"	296.054051	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-H+NaCOOH"	66.980151
"113925"	264.043302	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+2Cl"	69.938804
"553484"	378.580252	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+2Cl"	69.938804
"1025563"	149.506352	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2Cl"	69.938804
"1251702"	307.992785	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Br"	78.918885
"1317431"	310.048772	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Cl+HCOOH"	80.974872
"1328367"	332.030729	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Cl+NaCOOH"	102.956829
"918332"	342.059486	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M-H+CF3COOH"	112.985586
"1292492"	378.036164	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Cl+CF3COOH"	148.962264
"1367738"	194.061224	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H-2H2O"	-35.012676
"1397270"	212.0712	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H-H2O"	-17.0027
"289302"	459.155076	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+H"	1.007276
"676494"	688.228976	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+H"	1.007276
"1352600"	230.081176	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H"	1.007276
"128406"	230.081176	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+2H"	2.014552
"568333"	344.618126	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+2H"	2.014552
"1039318"	115.544226	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2H"	2.014552
"207579"	153.723209333333	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+3H"	3.021828
"646782"	230.081176	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+3H"	3.021828
"1166002"	77.3652426666667	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+3H"	3.021828
"425140"	476.181623	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+NH4"	18.033823
"786621"	705.255523	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+NH4"	18.033823
"1683316"	247.107723	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+NH4"	18.033823
"331595"	238.5944495	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+H+NH4"	19.041099
"725473"	353.1313995	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+H+NH4"	19.041099
"1480021"	124.0574995	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H+NH4"	19.041099
"396513"	481.137018	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+Na"	22.989218
"755081"	710.210918	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+Na"	22.989218
"1605123"	252.063118	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Na"	22.989218
"314919"	241.072147	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+H+Na"	23.996494
"707951"	355.609097	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+H+Na"	23.996494
"1473205"	126.535197	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H+Na"	23.996494
"1063900"	84.6925566666667	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2H+Na"	25.00377
"1272703"	262.107386	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+CH3OH+H"	33.033486
"392774"	497.110958	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+K"	38.963158
"754189"	726.184858	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+K"	38.963158
"1555503"	268.037058	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+K"	38.963158
"314234"	249.059117	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+H+K"	39.970434
"698989"	363.596067	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+H+K"	39.970434
"1452810"	134.522167	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H+K"	39.970434
"243597"	500.181626	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+ACN+H"	42.033826
"1214481"	271.107726	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+ACN+H"	42.033826
"1200188"	136.057501	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+ACN+2H"	43.041102
"193062"	503.11896	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+2Na-H"	44.97116
"632987"	732.19286	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+2Na-H"	44.97116
"1142692"	274.04506	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2Na-H"	44.97116
"180514"	252.063118	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+2Na"	45.978436
"619708"	366.600068	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+2Na"	45.978436
"1124675"	137.526168	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2Na"	45.978436
"1408203"	92.0198706666667	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H+2Na"	46.985712
"1442878"	276.086646	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H+HCOOH"	47.012746
"234883"	257.09614	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+3H2O+2H"	56.04448
"1521733"	290.13869	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+IsoProp+H"	61.06479
"422272"	260.050088	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+Na+K"	61.952376
"783143"	374.587038	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+Na+K"	61.952376
"1680324"	145.513138	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Na+K"	61.952376
"258337"	522.163568	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+ACN+Na"	64.015768
"1237607"	293.089668	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+ACN+Na"	64.015768
"1717745"	293.113193	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+NH4+HCOOH"	64.039293
"1186379"	99.3471846666667	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+3Na"	68.967654
"1655178"	298.068588	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Na+HCOOH"	68.994688
"168602"	535.06684	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+2K-H"	76.91904
"607068"	764.14074	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+2K-H"	76.91904
"1090488"	305.99294	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2K-H"	76.91904
"149490"	268.037058	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"2M+2K"	77.926316
"593424"	382.574008	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"3M+2K"	77.926316
"1083042"	153.500108	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2K"	77.926316
"1112241"	308.007492	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2K+H"	78.933592
"1347531"	308.095107	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+DMSO+H"	79.021207
"1018248"	312.134276	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2ACN+H"	83.060376
"1536374"	313.127908	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+IsoProp+Na+H"	84.054008
"998447"	156.570776	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+2ACN+2H"	84.067652
"1596231"	314.042528	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+K+HCOOH"	84.968628
"1426267"	344.074038	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+H+CF3COOH"	115.000138
"1159835"	177.084051	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+3ACN+2H"	125.094202
"1707200"	361.100585	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+NH4+CF3COOH"	132.026685
"1639570"	366.05598	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+Na+CF3COOH"	136.98208
"1574127"	382.02992	"C10676"	"gamma-Fagarine;Fagarine"	"C13H11NO3"	"229.0739"	"M+K+CF3COOH"	152.95602
"802305"	301.1426	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M"	0
"974785"	282.12421	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-H2O-H"	-19.01839
"66265"	199.754457333333	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M-3H"	-3.021828
"508012"	300.135324	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M-3H"	-3.021828
"885815"	99.3735906666667	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-3H"	-3.021828
"9863"	300.135324	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H"	-2.014552
"450151"	450.706624	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H"	-2.014552
"826129"	149.564024	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-2H"	-2.014552
"83933"	601.277924	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M-H"	-1.007276
"518752"	902.420524	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M-H"	-1.007276
"902389"	300.135324	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-H"	-1.007276
"52391"	618.304471	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H+NH4"	16.019271
"491951"	919.447071	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H+NH4"	16.019271
"868660"	317.161871	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-2H+NH4"	16.019271
"35467"	623.259866	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H+Na"	20.974666
"487006"	924.402466	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H+Na"	20.974666
"863415"	322.117266	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-2H+Na"	20.974666
"1633841"	322.117266	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Na-2H"	20.974666
"109602"	318.123663	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M-H+Cl"	33.962126
"549445"	468.694963	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M-H+Cl"	33.962126
"941453"	167.552363	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-H+Cl"	33.962126
"278184"	637.254602	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+Cl"	34.969402
"669517"	938.397202	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+Cl"	34.969402
"1285197"	336.112002	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl"	34.969402
"24475"	639.233806	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H+K"	36.948606
"465130"	940.376406	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H+K"	36.948606
"845123"	338.091206	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-2H+K"	36.948606
"1558768"	338.091206	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+K-2H"	36.948606
"948837"	346.140794	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-H+HCOOH"	44.998194
"368151"	647.283401	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+HCOOH-H"	44.998201
"350942"	661.299051	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+Hac-H"	59.013851
"1501232"	360.156451	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Hac-H"	59.013851
"962212"	368.122751	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-H+NaCOOH"	66.980151
"112941"	336.112002	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+2Cl"	69.938804
"553594"	486.683302	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+2Cl"	69.938804
"1025673"	185.540702	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2Cl"	69.938804
"1250718"	380.061485	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Br"	78.918885
"1317541"	382.117472	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl+HCOOH"	80.974872
"1330663"	404.099429	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl+NaCOOH"	102.956829
"921722"	414.128186	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M-H+CF3COOH"	112.985586
"1291874"	450.104864	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl+CF3COOH"	148.962264
"1367360"	266.129924	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H-2H2O"	-35.012676
"1388632"	284.1399	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H-H2O"	-17.0027
"287225"	603.292476	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+H"	1.007276
"680739"	904.435076	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+H"	1.007276
"1351354"	302.149876	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H"	1.007276
"127424"	302.149876	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+2H"	2.014552
"568079"	452.721176	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+2H"	2.014552
"1038700"	151.578576	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2H"	2.014552
"205258"	201.769009333333	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+3H"	3.021828
"647621"	302.149876	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+3H"	3.021828
"1166841"	101.388142666667	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+3H"	3.021828
"427198"	620.319023	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+NH4"	18.033823
"786735"	921.461623	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+NH4"	18.033823
"1681972"	319.176423	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+NH4"	18.033823
"330491"	310.6631495	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+H+NH4"	19.041099
"725584"	461.2344495	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+H+NH4"	19.041099
"1478308"	160.0918495	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H+NH4"	19.041099
"393265"	625.274418	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+Na"	22.989218
"756529"	926.417018	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+Na"	22.989218
"1604628"	324.131818	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Na"	22.989218
"314421"	313.140847	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+H+Na"	23.996494
"707698"	463.712147	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+H+Na"	23.996494
"1472586"	162.569547	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H+Na"	23.996494
"1061823"	108.715456666667	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2H+Na"	25.00377
"1271900"	334.176086	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+CH3OH+H"	33.033486
"392621"	641.248358	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+K"	38.963158
"754216"	942.390958	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+K"	38.963158
"1555472"	340.105758	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+K"	38.963158
"314231"	321.127817	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+H+K"	39.970434
"703474"	471.699117	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+H+K"	39.970434
"1451830"	170.556517	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H+K"	39.970434
"241523"	644.319026	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+ACN+H"	42.033826
"1217515"	343.176426	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+ACN+H"	42.033826
"1198117"	172.091851	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+ACN+2H"	43.041102
"198643"	647.25636	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+2Na-H"	44.97116
"637109"	948.39896	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+2Na-H"	44.97116
"1140615"	346.11376	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2Na-H"	44.97116
"180624"	324.131818	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+2Na"	45.978436
"619090"	474.703118	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+2Na"	45.978436
"1123692"	173.560518	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2Na"	45.978436
"1407220"	116.042770666667	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H+2Na"	46.985712
"1445179"	348.155346	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H+HCOOH"	47.012746
"235547"	329.16484	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+3H2O+2H"	56.04448
"1523669"	362.20739	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+IsoProp+H"	61.06479
"423841"	332.118788	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+Na+K"	61.952376
"785444"	482.690088	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+Na+K"	61.952376
"1681047"	181.547488	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Na+K"	61.952376
"266793"	666.300968	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+ACN+Na"	64.015768
"1241166"	365.158368	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+ACN+Na"	64.015768
"1723323"	365.181893	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+NH4+HCOOH"	64.039293
"1193983"	123.370084666667	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+3Na"	68.967654
"1660758"	370.137288	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Na+HCOOH"	68.994688
"172733"	679.20424	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+2K-H"	76.91904
"612122"	980.34684	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+2K-H"	76.91904
"1092785"	378.06164	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2K-H"	76.91904
"155067"	340.105758	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"2M+2K"	77.926316
"596901"	490.677058	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"3M+2K"	77.926316
"1083762"	189.534458	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2K"	77.926316
"1113445"	380.076192	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2K+H"	78.933592
"1347642"	380.163807	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+DMSO+H"	79.021207
"1017265"	384.202976	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2ACN+H"	83.060376
"1535391"	385.196608	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+IsoProp+Na+H"	84.054008
"997463"	192.605126	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+2ACN+2H"	84.067652
"1595248"	386.111228	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+K+HCOOH"	84.968628
"1426377"	416.142738	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+H+CF3COOH"	115.000138
"1159945"	213.118401	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+3ACN+2H"	125.094202
"1708403"	433.169285	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+NH4+CF3COOH"	132.026685
"1639680"	438.12468	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+Na+CF3COOH"	136.98208
"1574237"	454.09862	"C10677"	"Febrifugine"	"C16H19N3O3"	"301.1426"	"M+K+CF3COOH"	152.95602
"803508"	273.0637	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M"	0
"978134"	254.04531	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-H2O-H"	-19.01839
"67467"	181.035190666667	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M-3H"	-3.021828
"510308"	272.056424	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M-3H"	-3.021828
"884831"	90.0139573333333	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-3H"	-3.021828
"4499"	272.056424	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M-2H"	-2.014552
"442966"	408.588274	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M-2H"	-2.014552
"828062"	135.524574	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-2H"	-2.014552
"82220"	545.120124	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M-H"	-1.007276
"522508"	818.183824	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M-H"	-1.007276
"901405"	272.056424	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-H"	-1.007276
"54688"	562.146671	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M-2H+NH4"	16.019271
"495340"	835.210371	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M-2H+NH4"	16.019271
"872049"	289.082971	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-2H+NH4"	16.019271
"39949"	567.102066	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M-2H+Na"	20.974666
"485717"	840.165766	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M-2H+Na"	20.974666
"856228"	294.038366	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-2H+Na"	20.974666
"1627948"	294.038366	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Na-2H"	20.974666
"109545"	290.044763	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M-H+Cl"	33.962126
"546953"	426.576613	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M-H+Cl"	33.962126
"937552"	153.512913	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-H+Cl"	33.962126
"278293"	581.096802	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+Cl"	34.969402
"670719"	854.160502	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+Cl"	34.969402
"1283120"	308.033102	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Cl"	34.969402
"27863"	583.076006	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M-2H+K"	36.948606
"465240"	856.139706	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M-2H+K"	36.948606
"845233"	310.012306	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-2H+K"	36.948606
"1558878"	310.012306	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+K-2H"	36.948606
"952227"	318.061894	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-H+HCOOH"	44.998194
"371535"	591.125601	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+HCOOH-H"	44.998201
"352137"	605.141251	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+Hac-H"	59.013851
"1493318"	332.077551	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Hac-H"	59.013851
"961957"	340.043851	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-H+NaCOOH"	66.980151
"110864"	308.033102	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+2Cl"	69.938804
"550545"	444.564952	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+2Cl"	69.938804
"1029062"	171.501252	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2Cl"	69.938804
"1254837"	351.982585	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Br"	78.918885
"1318624"	354.038572	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Cl+HCOOH"	80.974872
"1332959"	376.020529	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Cl+NaCOOH"	102.956829
"925111"	386.049286	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M-H+CF3COOH"	112.985586
"1290891"	422.025964	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Cl+CF3COOH"	148.962264
"1369052"	238.051024	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H-2H2O"	-35.012676
"1389835"	256.061	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H-H2O"	-17.0027
"288428"	547.134676	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+H"	1.007276
"680849"	820.198376	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+H"	1.007276
"1351841"	274.070976	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H"	1.007276
"128263"	274.070976	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+2H"	2.014552
"567094"	410.602826	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+2H"	2.014552
"1038810"	137.539126	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2H"	2.014552
"205007"	183.049742666667	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+3H"	3.021828
"645656"	274.070976	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+3H"	3.021828
"1164024"	92.0285093333333	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+3H"	3.021828
"427309"	564.161223	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+NH4"	18.033823
"786603"	837.224923	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+NH4"	18.033823
"1682443"	291.097523	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+NH4"	18.033823
"332544"	282.5842495	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+H+NH4"	19.041099
"724964"	419.1160995	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+H+NH4"	19.041099
"1479510"	146.0523995	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H+NH4"	19.041099
"395637"	569.116618	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+Na"	22.989218
"756636"	842.180318	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+Na"	22.989218
"1604736"	296.052918	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Na"	22.989218
"318058"	285.061947	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+H+Na"	23.996494
"712667"	421.593797	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+H+Na"	23.996494
"1471967"	148.530097	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H+Na"	23.996494
"1061569"	99.3558233333333	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2H+Na"	25.00377
"1272013"	306.097186	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+CH3OH+H"	33.033486
"392330"	585.090558	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+K"	38.963158
"754190"	858.154258	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+K"	38.963158
"1555297"	312.026858	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+K"	38.963158
"313924"	293.048917	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+H+K"	39.970434
"700304"	429.580767	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+H+K"	39.970434
"1451940"	156.517067	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H+K"	39.970434
"239447"	588.161226	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+ACN+H"	42.033826
"1217625"	315.097526	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+ACN+H"	42.033826
"1198227"	158.052401	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+ACN+2H"	43.041102
"197660"	591.09856	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+2Na-H"	44.97116
"637219"	864.16226	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+2Na-H"	44.97116
"1138538"	318.03486	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2Na-H"	44.97116
"177454"	296.052918	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+2Na"	45.978436
"618832"	432.584768	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+2Na"	45.978436
"1119426"	159.521068	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2Na"	45.978436
"1404045"	106.683137333333	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H+2Na"	46.985712
"1445523"	320.076446	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H+HCOOH"	47.012746
"234978"	301.08594	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+3H2O+2H"	56.04448
"1524107"	334.12849	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+IsoProp+H"	61.06479
"424131"	304.039888	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+Na+K"	61.952376
"785312"	440.571738	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+Na+K"	61.952376
"1680912"	167.508038	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Na+K"	61.952376
"267069"	610.143168	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+ACN+Na"	64.015768
"1240386"	337.079468	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+ACN+Na"	64.015768
"1728132"	337.102993	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+NH4+HCOOH"	64.039293
"1193900"	114.010451333333	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+3Na"	68.967654
"1664149"	342.058388	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Na+HCOOH"	68.994688
"172714"	623.04644	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+2K-H"	76.91904
"612772"	896.11014	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+2K-H"	76.91904
"1099580"	349.98274	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2K-H"	76.91904
"156840"	312.026858	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"2M+2K"	77.926316
"597054"	448.558708	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"3M+2K"	77.926316
"1084164"	175.495008	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2K"	77.926316
"1115258"	351.997292	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2K+H"	78.933592
"1349818"	352.084907	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+DMSO+H"	79.021207
"1017375"	356.124076	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2ACN+H"	83.060376
"1536594"	357.117708	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+IsoProp+Na+H"	84.054008
"996480"	178.565676	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+2ACN+2H"	84.067652
"1594265"	358.032328	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+K+HCOOH"	84.968628
"1427581"	388.063838	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+H+CF3COOH"	115.000138
"1158962"	199.078951	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+3ACN+2H"	125.094202
"1708513"	405.090385	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+NH4+CF3COOH"	132.026685
"1639790"	410.04578	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+Na+CF3COOH"	136.98208
"1574347"	426.01972	"C10678"	"Flindersiamine"	"C14H11NO5"	"273.0637"	"M+K+CF3COOH"	152.95602
"803618"	227.0946	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M"	0
"975691"	208.07621	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-H2O-H"	-19.01839
"66484"	150.389124	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M-3H"	-3.021828
"507138"	226.087324	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M-3H"	-3.021828
"884941"	74.690924	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-3H"	-3.021828
"5702"	226.087324	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M-2H"	-2.014552
"441983"	339.634624	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M-2H"	-2.014552
"828536"	112.540024	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-2H"	-2.014552
"83059"	453.181924	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M-H"	-1.007276
"521525"	680.276524	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M-H"	-1.007276
"902608"	226.087324	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-H"	-1.007276
"59170"	470.208471	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M-2H+NH4"	16.019271
"494357"	697.303071	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M-2H+NH4"	16.019271
"872159"	243.113871	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-2H+NH4"	16.019271
"40059"	475.163866	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M-2H+Na"	20.974666
"481813"	702.258466	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M-2H+Na"	20.974666
"860711"	248.069266	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-2H+Na"	20.974666
"1628058"	248.069266	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Na-2H"	20.974666
"105679"	244.075663	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M-H+Cl"	33.962126
"540862"	357.622963	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M-H+Cl"	33.962126
"932193"	130.528363	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-H+Cl"	33.962126
"274029"	489.158602	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+Cl"	34.969402
"669736"	716.253202	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+Cl"	34.969402
"1275577"	262.064002	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Cl"	34.969402
"20318"	491.137806	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M-2H+K"	36.948606
"459883"	718.232406	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M-2H+K"	36.948606
"845343"	264.043206	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-2H+K"	36.948606
"1557895"	264.043206	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+K-2H"	36.948606
"951244"	272.092794	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-H+HCOOH"	44.998194
"365085"	499.187401	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+HCOOH-H"	44.998201
"353340"	513.203051	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+Hac-H"	59.013851
"1494523"	286.108451	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Hac-H"	59.013851
"959261"	294.074751	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-H+NaCOOH"	66.980151
"110526"	262.064002	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+2Cl"	69.938804
"553814"	375.611302	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+2Cl"	69.938804
"1025892"	148.516702	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2Cl"	69.938804
"1254218"	306.013485	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Br"	78.918885
"1317033"	308.069472	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Cl+HCOOH"	80.974872
"1333069"	330.051429	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Cl+NaCOOH"	102.956829
"918661"	340.080186	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M-H+CF3COOH"	112.985586
"1290999"	376.056864	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Cl+CF3COOH"	148.962264
"1369283"	192.081924	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H-2H2O"	-35.012676
"1392133"	210.0919	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H-H2O"	-17.0027
"287446"	455.196476	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+H"	1.007276
"679137"	682.291076	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+H"	1.007276
"1352326"	228.101876	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H"	1.007276
"130198"	228.101876	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+2H"	2.014552
"567569"	341.649176	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+2H"	2.014552
"1040745"	114.554576	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2H"	2.014552
"205719"	152.403676	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+3H"	3.021828
"645037"	228.101876	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+3H"	3.021828
"1163409"	76.705476	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+3H"	3.021828
"427417"	472.223023	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+NH4"	18.033823
"786709"	699.317623	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+NH4"	18.033823
"1682186"	245.128423	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+NH4"	18.033823
"332289"	236.6151495	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+H+NH4"	19.041099
"724710"	350.1624495	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+H+NH4"	19.041099
"1478527"	123.0678495	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H+NH4"	19.041099
"395747"	477.178418	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+Na"	22.989218
"756744"	704.273018	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+Na"	22.989218
"1604480"	250.083818	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Na"	22.989218
"315609"	239.092847	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+H+Na"	23.996494
"709497"	352.640147	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+H+Na"	23.996494
"1471713"	125.545547	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H+Na"	23.996494
"1062772"	84.03279	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2H+Na"	25.00377
"1272491"	260.128086	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+CH3OH+H"	33.033486
"392279"	493.152358	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+K"	38.963158
"754002"	720.246958	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+K"	38.963158
"1555199"	266.057758	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+K"	38.963158
"314158"	247.079817	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+H+K"	39.970434
"700414"	360.627117	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+H+K"	39.970434
"1449134"	133.532517	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H+K"	39.970434
"241743"	496.223026	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+ACN+H"	42.033826
"1218457"	269.128426	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+ACN+H"	42.033826
"1199430"	135.067851	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+ACN+2H"	43.041102
"198863"	499.16036	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+2Na-H"	44.97116
"638422"	726.25496	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+2Na-H"	44.97116
"1138648"	272.06576	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2Na-H"	44.97116
"179750"	250.083818	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+2Na"	45.978436
"623679"	363.631118	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+2Na"	45.978436
"1120629"	136.536518	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2Na"	45.978436
"1405248"	91.360104	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H+2Na"	46.985712
"1445322"	274.107346	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H+HCOOH"	47.012746
"233630"	255.11684	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+3H2O+2H"	56.04448
"1523891"	288.15939	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+IsoProp+H"	61.06479
"423450"	258.070788	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+Na+K"	61.952376
"785260"	371.618088	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+Na+K"	61.952376
"1681231"	144.523488	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Na+K"	61.952376
"266858"	518.204968	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+ACN+Na"	64.015768
"1240618"	291.110368	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+ACN+Na"	64.015768
"1728164"	291.133893	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+NH4+HCOOH"	64.039293
"1193521"	98.687418	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+3Na"	68.967654
"1664871"	296.089288	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Na+HCOOH"	68.994688
"172626"	531.10824	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+2K-H"	76.91904
"612755"	758.20284	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+2K-H"	76.91904
"1099876"	304.01364	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2K-H"	76.91904
"156627"	266.057758	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"2M+2K"	77.926316
"596797"	379.605058	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"3M+2K"	77.926316
"1083129"	152.510458	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2K"	77.926316
"1114640"	306.028192	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2K+H"	78.933592
"1349686"	306.115807	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+DMSO+H"	79.021207
"1018579"	310.154976	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2ACN+H"	83.060376
"1533424"	311.148608	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+IsoProp+Na+H"	84.054008
"1002060"	155.581126	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+2ACN+2H"	84.067652
"1599844"	312.063228	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+K+HCOOH"	84.968628
"1423318"	342.094738	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+H+CF3COOH"	115.000138
"1157980"	176.094401	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+3ACN+2H"	125.094202
"1708624"	359.121285	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+NH4+CF3COOH"	132.026685
"1643182"	364.07668	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+Na+CF3COOH"	136.98208
"1581019"	380.05062	"C10679"	"Flindersine"	"C14H13NO2"	"227.0946"	"M+K+CF3COOH"	152.95602
"802999"	182.0579	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M"	0
"976165"	163.03951	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"66595"	120.364657333333	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"508341"	181.050624	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"882865"	59.6786906666667	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"2532"	181.050624	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"443186"	272.079574	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"827553"	90.021674	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"82076"	363.108524	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"519690"	545.166424	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"899439"	181.050624	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"52721"	380.135071	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"491187"	562.192971	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"868990"	198.077171	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"36890"	385.090466	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"478643"	567.148366	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"854257"	203.032566	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1628166"	203.032566	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"105788"	199.038963	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"540972"	290.067913	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"934489"	108.010013	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"273045"	399.085202	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"668752"	581.143102	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1276780"	217.027302	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"21521"	401.064406	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"466553"	583.122306	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"841079"	219.006506	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1558005"	219.006506	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"949167"	227.056094	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"369568"	409.114001	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"356730"	423.129651	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1493049"	241.071751	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"959374"	249.038051	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"110428"	217.027302	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"556111"	308.056252	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1023815"	125.998352	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1252141"	260.976785	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1313496"	263.032772	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1329899"	285.014729	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"916584"	295.043486	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1290014"	331.020164	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1368178"	147.045224	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1392243"	165.0552	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"287556"	365.123076	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"681069"	547.180976	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1353408"	183.065176	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"130672"	183.065176	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"568043"	274.094126	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1040126"	92.036226	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"205829"	122.379209333333	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"644784"	183.065176	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1163516"	61.6932426666667	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"425702"	382.149623	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"789619"	564.207523	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1682664"	200.091723	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"331306"	191.5784495	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"725915"	282.6073995	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1479001"	100.5494995	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"393062"	387.105018	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"756125"	569.162918	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1603858"	205.047118	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"316083"	194.056147	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"708514"	285.085097	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1476204"	103.027197	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1067256"	69.0205566666667	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1271140"	215.091386	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"391172"	403.078958	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"753944"	585.136858	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1554984"	221.021058	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"313090"	202.043117	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"697244"	293.072067	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1458356"	111.014167	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"242217"	406.149626	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1216745"	224.091726	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1201726"	112.549501	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"202256"	409.08696	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"641086"	591.14486	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1138758"	227.02906	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"180953"	205.047118	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"620874"	296.076068	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1121833"	114.018168	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1406452"	76.3478706666667	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1443686"	229.070646	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"233376"	210.08014	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1523390"	243.12269	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"423805"	213.034088	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"785043"	304.063038	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1681117"	122.005138	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"267002"	428.131568	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1240973"	246.073668	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1728152"	246.097193	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1193267"	83.6751846666667	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1665261"	251.052588	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"172530"	441.03484	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"612660"	623.09274	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1099766"	258.97694	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"156128"	221.021058	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"596301"	312.050008	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1082631"	129.992108	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1114509"	260.991492	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1349676"	261.079107	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1018689"	265.118276	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1534627"	266.111908	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"1004115"	133.062776	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1598860"	267.026528	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1423428"	297.058038	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1159183"	153.576051	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1708734"	314.084585	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1643292"	319.03998	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1581129"	335.01392	"C10680"	"26-Dihydroxy-4-methoxyacetophenone;4-O-Methylphloracetophenone"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"804932"	265.0739	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M"	0
"980650"	246.05551	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-H2O-H"	-19.01839
"67799"	175.708657333333	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M-3H"	-3.021828
"506265"	264.066624	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M-3H"	-3.021828
"884068"	87.3506906666667	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-3H"	-3.021828
"2642"	264.066624	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M-2H"	-2.014552
"442203"	396.603574	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M-2H"	-2.014552
"829851"	131.529674	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-2H"	-2.014552
"82186"	529.140524	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M-H"	-1.007276
"520651"	794.214424	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M-H"	-1.007276
"900642"	264.066624	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-H"	-1.007276
"47359"	546.167071	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M-2H+NH4"	16.019271
"489471"	811.240971	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M-2H+NH4"	16.019271
"864434"	281.093171	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-2H+NH4"	16.019271
"31767"	551.122466	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M-2H+Na"	20.974666
"476562"	816.196366	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M-2H+Na"	20.974666
"854367"	286.048566	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-2H+Na"	20.974666
"1630463"	286.048566	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Na-2H"	20.974666
"104805"	282.054963	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M-H+Cl"	33.962126
"538895"	414.591913	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M-H+Cl"	33.962126
"934599"	149.518013	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-H+Cl"	33.962126
"272063"	565.117202	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+Cl"	34.969402
"668862"	830.191102	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+Cl"	34.969402
"1279077"	300.043302	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Cl"	34.969402
"20538"	567.096406	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M-2H+K"	36.948606
"466663"	832.170306	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M-2H+K"	36.948606
"840092"	302.022506	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-2H+K"	36.948606
"1561395"	302.022506	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+K-2H"	36.948606
"949277"	310.072094	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-H+HCOOH"	44.998194
"368585"	575.146001	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+HCOOH-H"	44.998201
"356840"	589.161651	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+Hac-H"	59.013851
"1494743"	324.087751	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Hac-H"	59.013851
"959367"	332.054051	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-H+NaCOOH"	66.980151
"116657"	300.043302	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+2Cl"	69.938804
"551115"	432.580252	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+2Cl"	69.938804
"1029392"	167.506352	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2Cl"	69.938804
"1253344"	343.992785	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Br"	78.918885
"1313607"	346.048772	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Cl+HCOOH"	80.974872
"1330009"	368.030729	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Cl+NaCOOH"	102.956829
"916694"	378.059486	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M-H+CF3COOH"	112.985586
"1292313"	414.036164	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Cl+CF3COOH"	148.962264
"1368289"	230.061224	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H-2H2O"	-35.012676
"1392354"	248.0712	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H-H2O"	-17.0027
"287666"	531.155076	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+H"	1.007276
"678992"	796.228976	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+H"	1.007276
"1357529"	266.081176	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H"	1.007276
"133698"	266.081176	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+2H"	2.014552
"568153"	398.618126	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+2H"	2.014552
"1042060"	133.544226	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2H"	2.014552
"208867"	177.723209333333	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+3H"	3.021828
"646600"	266.081176	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+3H"	3.021828
"1163632"	89.3652426666667	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+3H"	3.021828
"425812"	548.181623	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+NH4"	18.033823
"787542"	813.255523	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+NH4"	18.033823
"1683867"	283.107723	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+NH4"	18.033823
"335430"	274.5944495	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+H+NH4"	19.041099
"726757"	407.1313995	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+H+NH4"	19.041099
"1478385"	142.0574995	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H+NH4"	19.041099
"393784"	553.137018	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+Na"	22.989218
"755386"	818.210918	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+Na"	22.989218
"1603609"	288.063118	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Na"	22.989218
"314859"	277.072147	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+H+Na"	23.996494
"709718"	409.609097	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+H+Na"	23.996494
"1475216"	144.535197	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H+Na"	23.996494
"1064449"	96.6925566666666	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2H+Na"	25.00377
"1272301"	298.107386	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+CH3OH+H"	33.033486
"392290"	569.110958	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+K"	38.963158
"753976"	834.184858	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+K"	38.963158
"1554927"	304.037058	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+K"	38.963158
"311856"	285.059117	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+H+K"	39.970434
"697354"	417.596067	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+H+K"	39.970434
"1454455"	152.522167	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H+K"	39.970434
"241963"	572.181626	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+ACN+H"	42.033826
"1216126"	307.107726	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+ACN+H"	42.033826
"1201836"	154.057501	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+ACN+2H"	43.041102
"200908"	575.11896	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+2Na-H"	44.97116
"641559"	840.19286	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+2Na-H"	44.97116
"1139961"	310.04506	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2Na-H"	44.97116
"180334"	288.063118	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+2Na"	45.978436
"620619"	420.600068	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+2Na"	45.978436
"1123036"	155.526168	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2Na"	45.978436
"1405469"	104.019870666667	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H+2Na"	46.985712
"1444523"	312.086646	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H+HCOOH"	47.012746
"232025"	293.09614	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+3H2O+2H"	56.04448
"1523619"	326.13869	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+IsoProp+H"	61.06479
"423668"	296.050088	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+Na+K"	61.952376
"784422"	428.587038	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+Na+K"	61.952376
"1678928"	163.513138	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Na+K"	61.952376
"267037"	594.163568	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+ACN+Na"	64.015768
"1239616"	329.089668	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+ACN+Na"	64.015768
"1727818"	329.113193	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+NH4+HCOOH"	64.039293
"1194067"	111.347184666667	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+3Na"	68.967654
"1665085"	334.068588	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Na+HCOOH"	68.994688
"172445"	607.06684	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+2K-H"	76.91904
"612788"	872.14074	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+2K-H"	76.91904
"1094317"	341.99294	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2K-H"	76.91904
"156359"	304.037058	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"2M+2K"	77.926316
"596407"	436.574008	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"3M+2K"	77.926316
"1082741"	171.500108	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2K"	77.926316
"1112792"	344.007492	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2K+H"	78.933592
"1348084"	344.095107	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+DMSO+H"	79.021207
"1013333"	348.134276	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2ACN+H"	83.060376
"1533644"	349.127908	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+IsoProp+Na+H"	84.054008
"1001188"	174.570776	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+2ACN+2H"	84.067652
"1595690"	350.042528	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+K+HCOOH"	84.968628
"1427912"	380.074038	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+H+CF3COOH"	115.000138
"1159293"	195.084051	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+3ACN+2H"	125.094202
"1708843"	397.100585	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+NH4+CF3COOH"	132.026685
"1643402"	402.05598	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+Na+CF3COOH"	136.98208
"1581239"	418.02992	"C10681"	"Furofoline I"	"C16H11NO3"	"265.0739"	"M+K+CF3COOH"	152.95602
"803948"	358.1416	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M"	0
"978573"	339.12321	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"67907"	237.753790666667	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"505281"	357.134324	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"883085"	118.373257333333	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"2752"	357.134324	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"441583"	536.205124	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"831662"	178.063524	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"84482"	715.275924	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"522219"	1073.417524	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"900751"	357.134324	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"47305"	732.302471	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"488852"	1090.444071	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"864540"	374.160871	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"31712"	737.257866	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"479952"	1095.399466	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"855567"	379.116266	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1628385"	379.116266	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"100537"	375.122663	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"540095"	554.193463	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"932517"	196.051863	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"272169"	751.252602	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"664596"	1109.394202	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1276998"	393.111002	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"18459"	753.231806	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"463493"	1111.373406	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"838015"	395.090206	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1560409"	395.090206	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"949385"	403.139794	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"371975"	761.281401	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"347230"	775.297051	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1495217"	417.155451	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"964580"	425.121751	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"120047"	393.111002	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"551955"	572.181802	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1026222"	214.040202	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1250174"	437.060485	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1313717"	439.116472	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1330119"	461.098429	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"916804"	471.127186	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1291330"	507.103864	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1368400"	323.128924	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1392464"	341.1389	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"287776"	717.290476	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"679102"	1075.432076	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1356545"	359.148876	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"131621"	359.148876	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"566440"	538.219676	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1040346"	180.078076	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"206179"	239.768342666667	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"646346"	359.148876	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1163742"	120.387809333333	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"425922"	734.317023	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"787287"	1092.458623	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1683249"	376.175423	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"335540"	367.6621495	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"725774"	546.7329495	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1479223"	188.5913495	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"394621"	739.272418	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"756346"	1097.414018	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1604082"	381.130818	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"315575"	370.139847	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"707168"	549.210647	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1475690"	191.069047	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1063467"	127.715123333333	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1272733"	391.175086	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"392601"	755.246358	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"753964"	1113.387958	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1552241"	397.104758	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"310509"	378.126817	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"704756"	557.197617	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1452378"	199.056017	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"240247"	758.317026	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1215873"	400.175426	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1200853"	200.591351	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"198831"	761.25436	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"639481"	1119.39596	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1138977"	403.11276	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"176800"	381.130818	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"616722"	560.201618	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1122055"	202.060018	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1405579"	135.042437333333	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1441713"	405.154346	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"232135"	386.16384	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1523118"	419.20639	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"422807"	389.117788	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"782341"	568.188588	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1679038"	210.046988	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"266863"	780.298968	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1240819"	422.157368	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1728257"	422.180893	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1194129"	142.369751333333	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1665074"	427.136288	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"172554"	793.20224	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"612635"	1151.34384	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1094427"	435.06064	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"154524"	397.104758	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"596923"	576.175558	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1082851"	218.033958	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1112902"	437.075192	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1350625"	437.162807	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1015630"	441.201976	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1532660"	442.195608	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"1001298"	221.104626	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1596894"	443.110228	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1426929"	473.141738	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1158310"	241.617901	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1708953"	490.168285	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1643512"	495.12368	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1581349"	511.09762	"C10682"	"Matairesinol;(-)-Matairesinol"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"811714"	323.1521	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M"	0
"978684"	304.13371	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-H2O-H"	-19.01839
"71299"	214.427457333333	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M-3H"	-3.021828
"505394"	322.144824	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M-3H"	-3.021828
"888665"	106.710090666667	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-3H"	-3.021828
"3958"	322.144824	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M-2H"	-2.014552
"444611"	483.720874	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M-2H"	-2.014552
"825698"	160.568774	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-2H"	-2.014552
"88969"	645.296924	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M-H"	-1.007276
"530715"	968.449024	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M-H"	-1.007276
"903052"	322.144824	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-H"	-1.007276
"56331"	662.323471	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M-2H+NH4"	16.019271
"494798"	985.475571	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M-2H+NH4"	16.019271
"872600"	339.171371	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-2H+NH4"	16.019271
"33938"	667.278866	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M-2H+Na"	20.974666
"482251"	990.430966	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M-2H+Na"	20.974666
"855682"	344.126766	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-2H+Na"	20.974666
"1624122"	344.126766	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Na-2H"	20.974666
"103926"	340.133163	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M-H+Cl"	33.962126
"543492"	501.709213	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M-H+Cl"	33.962126
"933726"	178.557113	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-H+Cl"	33.962126
"277751"	681.273602	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+Cl"	34.969402
"661183"	1004.425702	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+Cl"	34.969402
"1276018"	358.121502	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Cl"	34.969402
"17843"	683.252806	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M-2H+K"	36.948606
"459232"	1006.404906	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M-2H+K"	36.948606
"833020"	360.100706	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-2H+K"	36.948606
"1567082"	360.100706	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+K-2H"	36.948606
"949496"	368.150294	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-H+HCOOH"	44.998194
"367714"	691.302401	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+HCOOH-H"	44.998201
"351596"	705.318051	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+Hac-H"	59.013851
"1496057"	382.165951	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Hac-H"	59.013851
"962870"	390.132251	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-H+NaCOOH"	66.980151
"116879"	358.121502	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+2Cl"	69.938804
"554253"	519.697552	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+2Cl"	69.938804
"1026331"	196.545452	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2Cl"	69.938804
"1250284"	402.070985	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Br"	78.918885
"1317106"	404.126972	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Cl+HCOOH"	80.974872
"1326948"	426.108929	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Cl+NaCOOH"	102.956829
"916915"	436.137686	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M-H+CF3COOH"	112.985586
"1292533"	472.114364	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Cl+CF3COOH"	148.962264
"1375071"	288.139424	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H-2H2O"	-35.012676
"1389294"	306.1494	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H-H2O"	-17.0027
"288979"	647.311476	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+H"	1.007276
"682494"	970.463576	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+H"	1.007276
"1356654"	324.159376	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H"	1.007276
"128084"	324.159376	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+2H"	2.014552
"568371"	485.735426	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+2H"	2.014552
"1040092"	162.583326	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2H"	2.014552
"206532"	216.442009333333	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+3H"	3.021828
"646820"	324.159376	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+3H"	3.021828
"1164094"	108.724642666667	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+3H"	3.021828
"428585"	664.338023	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+NH4"	18.033823
"787762"	987.490123	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+NH4"	18.033823
"1684818"	341.185923	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+NH4"	18.033823
"335649"	332.6726495	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+H+NH4"	19.041099
"728071"	494.2486995	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+H+NH4"	19.041099
"1479703"	171.0965995	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H+NH4"	19.041099
"395104"	669.293418	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+Na"	22.989218
"756097"	992.445518	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+Na"	22.989218
"1604195"	346.141318	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Na"	22.989218
"315444"	335.150347	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+H+Na"	23.996494
"707344"	496.726397	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+H+Na"	23.996494
"1472517"	173.574297	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H+Na"	23.996494
"1063577"	116.051956666667	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2H+Na"	25.00377
"1272440"	356.185586	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+CH3OH+H"	33.033486
"392593"	685.267358	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+K"	38.963158
"754202"	1008.419458	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+K"	38.963158
"1552716"	362.115258	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+K"	38.963158
"311348"	343.137317	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+H+K"	39.970434
"706202"	504.713367	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+H+K"	39.970434
"1453581"	181.561267	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H+K"	39.970434
"241086"	688.338026	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+ACN+H"	42.033826
"1215982"	365.185926	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+ACN+H"	42.033826
"1200963"	183.096601	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+ACN+2H"	43.041102
"197119"	691.27536	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+2Na-H"	44.97116
"639955"	1014.42746	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+2Na-H"	44.97116
"1139086"	368.12326	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2Na-H"	44.97116
"177271"	346.141318	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+2Na"	45.978436
"617560"	507.717368	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+2Na"	45.978436
"1121070"	184.565268	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2Na"	45.978436
"1404596"	123.379270666667	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H+2Na"	46.985712
"1442552"	370.164846	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H+HCOOH"	47.012746
"232974"	351.17434	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+3H2O+2H"	56.04448
"1522134"	384.21689	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+IsoProp+H"	61.06479
"423161"	354.128288	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+Na+K"	61.952376
"782454"	515.704338	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+Na+K"	61.952376
"1678420"	192.552238	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Na+K"	61.952376
"266645"	710.319968	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+ACN+Na"	64.015768
"1238014"	387.167868	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+ACN+Na"	64.015768
"1723984"	387.191393	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+NH4+HCOOH"	64.039293
"1191158"	130.706584666667	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+3Na"	68.967654
"1663601"	392.146788	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Na+HCOOH"	68.994688
"169370"	723.22324	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+2K-H"	76.91904
"608929"	1046.37534	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+2K-H"	76.91904
"1091254"	400.07114	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2K-H"	76.91904
"153540"	362.115258	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"2M+2K"	77.926316
"594195"	523.691308	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"3M+2K"	77.926316
"1081624"	200.539208	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2K"	77.926316
"1112648"	402.085692	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2K+H"	78.933592
"1350493"	402.173307	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+DMSO+H"	79.021207
"1015740"	406.212476	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2ACN+H"	83.060376
"1537143"	407.206108	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+IsoProp+Na+H"	84.054008
"1001407"	203.609876	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+2ACN+2H"	84.067652
"1598098"	408.120728	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+K+HCOOH"	84.968628
"1421571"	438.152238	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+H+CF3COOH"	115.000138
"1156232"	224.123151	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+3ACN+2H"	125.094202
"1702503"	455.178785	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+NH4+CF3COOH"	132.026685
"1640341"	460.13418	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+Na+CF3COOH"	136.98208
"1581459"	476.10812	"C10683"	"Galipine"	"C20H21NO3"	"323.1521"	"M+K+CF3COOH"	152.95602
"803075"	196.0736	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M"	0
"978793"	177.05521	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"68129"	129.708457333333	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"503680"	195.066324	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"888775"	64.3505906666667	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"4068"	195.066324	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"444721"	293.103124	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"825808"	97.029524	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"89079"	391.139924	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"530825"	587.213524	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"909722"	195.066324	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"58627"	408.166471	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"496001"	604.240071	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"873803"	212.092871	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"34048"	413.121866	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"481268"	609.195466	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"855792"	217.048266	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1627512"	217.048266	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"100759"	213.054663	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"540682"	311.091463	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"932743"	115.017863	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"270569"	427.116602	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"660279"	623.190202	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1276128"	231.043002	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"17711"	429.095806	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"460435"	625.169406	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"833083"	233.022206	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1563912"	233.022206	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"947419"	241.071794	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"366731"	437.145401	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"351707"	451.161051	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1497262"	255.087451	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"963709"	263.053751	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"114802"	231.043002	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"555456"	329.079802	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1030816"	133.006202	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1255862"	274.992485	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1315759"	277.048472	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1332526"	299.030429	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"917025"	309.059186	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1292643"	345.035864	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1372995"	161.060924	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1389404"	179.0709	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"287996"	393.154476	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"682604"	589.228076	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1353848"	197.080876	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"127466"	197.080876	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"568119"	295.117676	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1040202"	99.044076	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"205057"	131.723009333333	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"652036"	197.080876	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1165785"	66.3651426666667	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"429785"	410.181023	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"791149"	606.254623	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1684926"	214.107423	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"332110"	205.5941495	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"723924"	303.6309495	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1478716"	107.5573495	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"393146"	415.136418	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"755475"	611.210018	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1604302"	219.062818	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"320909"	208.071847	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"714426"	306.108647	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1468247"	110.035047	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1064780"	73.6924566666667	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1270722"	229.107086	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"389418"	431.110358	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"752234"	627.183958	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1554284"	235.036758	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"312917"	216.058817	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"703881"	314.095617	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1453691"	118.022017	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"244477"	434.181026	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1218278"	238.107426	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1203258"	119.557351	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"195033"	437.11836	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"632772"	633.19196	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1138100"	241.04476	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"178107"	219.062818	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"616941"	317.099618	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1121180"	121.026018	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1404706"	81.0197706666667	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1440838"	243.086346	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"230897"	224.09584	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1521151"	257.13839	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"422661"	227.049788	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"781833"	325.086588	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1680964"	129.012988	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"266147"	456.162968	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1237759"	260.089368	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1724822"	260.112893	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1192729"	88.3470846666667	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1661527"	265.068288	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"170212"	469.06624	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"605760"	665.13984	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1091367"	272.99264	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"151464"	235.036758	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"594305"	333.073558	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1079911"	136.999958	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1114096"	275.007192	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1347322"	275.094807	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1018037"	279.133976	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1536160"	280.127608	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"998238"	140.070626	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1596022"	281.042228	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1421681"	311.073738	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1155249"	160.583901	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1702613"	328.100285	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1643731"	333.05568	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1581569"	349.02962	"C10684"	"26-Dimethoxy-4-hydroxyacetophenone"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"802456"	602.2417	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M"	0
"978903"	583.22331	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-H2O-H"	-19.01839
"68239"	400.487190666667	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M-3H"	-3.021828
"503791"	601.234424	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M-3H"	-3.021828
"881592"	199.739957333333	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-3H"	-3.021828
"4178"	601.234424	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M-2H"	-2.014552
"442643"	902.355274	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M-2H"	-2.014552
"832688"	300.113574	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-2H"	-2.014552
"89189"	1203.476124	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M-H"	-1.007276
"530935"	1805.717824	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M-H"	-1.007276
"910809"	601.234424	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-H"	-1.007276
"56551"	1220.502671	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M-2H+NH4"	16.019271
"496111"	1822.744371	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M-2H+NH4"	16.019271
"871726"	618.260971	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-2H+NH4"	16.019271
"33428"	1225.458066	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M-2H+Na"	20.974666
"481378"	1827.699766	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M-2H+Na"	20.974666
"858088"	623.216366	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-2H+Na"	20.974666
"1627622"	623.216366	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Na-2H"	20.974666
"104149"	619.222763	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M-H+Cl"	33.962126
"541521"	920.343613	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M-H+Cl"	33.962126
"932853"	318.101913	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-H+Cl"	33.962126
"271772"	1239.452802	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+Cl"	34.969402
"663470"	1841.694502	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+Cl"	34.969402
"1276601"	637.211102	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Cl"	34.969402
"18428"	1241.432006	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M-2H+K"	36.948606
"460545"	1843.673706	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M-2H+K"	36.948606
"835064"	639.190306	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-2H+K"	36.948606
"1564022"	639.190306	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+K-2H"	36.948606
"947529"	647.239894	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-H+HCOOH"	44.998194
"365745"	1249.481601	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+HCOOH-H"	44.998201
"354004"	1263.497251	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+Hac-H"	59.013851
"1499559"	661.255551	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Hac-H"	59.013851
"966006"	669.221851	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-H+NaCOOH"	66.980151
"114182"	637.211102	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+2Cl"	69.938804
"556659"	938.331952	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+2Cl"	69.938804
"1030925"	336.090252	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2Cl"	69.938804
"1252691"	681.160585	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Br"	78.918885
"1315139"	683.216572	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Cl+HCOOH"	80.974872
"1330448"	705.198529	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Cl+NaCOOH"	102.956829
"917135"	715.227286	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M-H+CF3COOH"	112.985586
"1293847"	751.203964	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Cl+CF3COOH"	148.962264
"1370918"	567.229024	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H-2H2O"	-35.012676
"1387327"	585.239	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H-H2O"	-17.0027
"289198"	1205.490676	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+H"	1.007276
"680527"	1807.732376	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+H"	1.007276
"1353594"	603.248976	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H"	1.007276
"126480"	603.248976	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+2H"	2.014552
"572602"	904.369826	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+2H"	2.014552
"1038485"	302.128126	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2H"	2.014552
"204926"	402.501742666667	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+3H"	3.021828
"646308"	603.248976	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+3H"	3.021828
"1163342"	201.754509333333	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+3H"	3.021828
"425520"	1222.517223	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+NH4"	18.033823
"789798"	1824.758923	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+NH4"	18.033823
"1682119"	620.275523	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+NH4"	18.033823
"330879"	611.7622495	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+H+NH4"	19.041099
"724636"	912.8830995	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+H+NH4"	19.041099
"1477849"	310.6413995	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H+NH4"	19.041099
"393044"	1227.472618	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+Na"	22.989218
"754732"	1829.714318	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+Na"	22.989218
"1603070"	625.230918	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Na"	22.989218
"314564"	614.239947	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+H+Na"	23.996494
"707358"	915.360797	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+H+Na"	23.996494
"1462886"	313.119097	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H+Na"	23.996494
"1065983"	209.081823333333	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2H+Na"	25.00377
"1270589"	635.275186	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+CH3OH+H"	33.033486
"389527"	1243.446558	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+K"	38.963158
"753073"	1845.688258	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+K"	38.963158
"1552935"	641.204858	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+K"	38.963158
"312662"	622.226917	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+H+K"	39.970434
"702898"	923.347767	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+H+K"	39.970434
"1451615"	321.106067	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H+K"	39.970434
"242399"	1246.517226	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+ACN+H"	42.033826
"1219482"	644.275526	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+ACN+H"	42.033826
"1200085"	322.641401	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+ACN+2H"	43.041102
"194048"	1249.45456	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+2Na-H"	44.97116
"633611"	1851.69626	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+2Na-H"	44.97116
"1136024"	647.21286	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2Na-H"	44.97116
"177487"	625.230918	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+2Na"	45.978436
"615956"	926.351768	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+2Na"	45.978436
"1120197"	324.110068	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2Na"	45.978436
"1404816"	216.409137333333	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H+2Na"	46.985712
"1440948"	649.254446	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H+HCOOH"	47.012746
"231006"	630.26394	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+3H2O+2H"	56.04448
"1521626"	663.30649	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+IsoProp+H"	61.06479
"421311"	633.217888	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+Na+K"	61.952376
"780848"	934.338738	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+Na+K"	61.952376
"1678637"	332.097038	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Na+K"	61.952376
"261510"	1268.499168	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+ACN+Na"	64.015768
"1236405"	666.257468	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+ACN+Na"	64.015768
"1726385"	666.280993	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+NH4+HCOOH"	64.039293
"1182263"	223.736451333333	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+3Na"	68.967654
"1661635"	671.236388	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Na+HCOOH"	68.994688
"169592"	1281.40244	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+2K-H"	76.91904
"603684"	1883.64414	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+2K-H"	76.91904
"1094757"	679.16074	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2K-H"	76.91904
"152667"	641.204858	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"2M+2K"	77.926316
"594415"	942.325708	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"3M+2K"	77.926316
"1080021"	340.084008	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2K"	77.926316
"1114085"	681.175292	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2K+H"	78.933592
"1347432"	681.262907	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+DMSO+H"	79.021207
"1018147"	685.302076	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2ACN+H"	83.060376
"1534083"	686.295708	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+IsoProp+Na+H"	84.054008
"997255"	343.154676	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+2ACN+2H"	84.067652
"1596132"	687.210328	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+K+HCOOH"	84.968628
"1421791"	717.241838	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+H+CF3COOH"	115.000138
"1155359"	363.667951	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+3ACN+2H"	125.094202
"1702723"	734.268385	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+NH4+CF3COOH"	132.026685
"1643841"	739.22378	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+Na+CF3COOH"	136.98208
"1581679"	755.19772	"C10685"	"Glycobismine A"	"C37H34N2O6"	"602.2417"	"M+K+CF3COOH"	152.95602
"805482"	391.1267	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M"	0
"979013"	372.10831	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-H2O-H"	-19.01839
"66526"	259.743857333333	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M-3H"	-3.021828
"504017"	390.119424	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M-3H"	-3.021828
"882065"	129.368290666667	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-3H"	-3.021828
"4288"	390.119424	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M-2H"	-2.014552
"443481"	585.682774	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M-2H"	-2.014552
"832677"	194.556074	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-2H"	-2.014552
"89299"	781.246124	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M-H"	-1.007276
"531774"	1172.372824	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M-H"	-1.007276
"910839"	390.119424	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-H"	-1.007276
"57754"	798.272671	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M-2H+NH4"	16.019271
"495128"	1189.399371	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M-2H+NH4"	16.019271
"870743"	407.145971	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-2H+NH4"	16.019271
"36455"	803.228066	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M-2H+Na"	20.974666
"484767"	1194.354766	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M-2H+Na"	20.974666
"853819"	412.101366	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-2H+Na"	20.974666
"1619825"	412.101366	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Na-2H"	20.974666
"104256"	408.107763	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M-H+Cl"	33.962126
"536159"	603.671113	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M-H+Cl"	33.962126
"935149"	212.544413	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-H+Cl"	33.962126
"273704"	817.222802	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+Cl"	34.969402
"664303"	1208.349502	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+Cl"	34.969402
"1277071"	426.096102	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Cl"	34.969402
"20361"	819.202006	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M-2H+K"	36.948606
"463935"	1210.328706	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M-2H+K"	36.948606
"835174"	428.075306	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-2H+K"	36.948606
"1565225"	428.075306	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+K-2H"	36.948606
"948732"	436.124894	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-H+HCOOH"	44.998194
"366948"	827.251601	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+HCOOH-H"	44.998201
"355207"	841.267251	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+Hac-H"	59.013851
"1501856"	450.140551	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Hac-H"	59.013851
"963929"	458.106851	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-H+NaCOOH"	66.980151
"114656"	426.096102	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+2Cl"	69.938804
"554946"	621.659452	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+2Cl"	69.938804
"1028848"	230.532752	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2Cl"	69.938804
"1252801"	470.045585	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Br"	78.918885
"1314155"	472.101572	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Cl+HCOOH"	80.974872
"1330558"	494.083529	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Cl+NaCOOH"	102.956829
"917245"	504.112286	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M-H+CF3COOH"	112.985586
"1297237"	540.088964	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Cl+CF3COOH"	148.962264
"1376495"	356.114024	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H-2H2O"	-35.012676
"1386344"	374.124	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H-H2O"	-17.0027
"287122"	783.260676	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+H"	1.007276
"677720"	1174.387376	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+H"	1.007276
"1353702"	392.133976	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H"	1.007276
"126467"	392.133976	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+2H"	2.014552
"573805"	587.697326	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+2H"	2.014552
"1037744"	196.570626	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2H"	2.014552
"205521"	261.758409333333	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+3H"	3.021828
"646420"	392.133976	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+3H"	3.021828
"1163450"	131.382842666667	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+3H"	3.021828
"427088"	800.287223	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+NH4"	18.033823
"789908"	1191.413923	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+NH4"	18.033823
"1682229"	409.160523	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+NH4"	18.033823
"330867"	400.6472495	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+H+NH4"	19.041099
"723333"	596.2105995	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+H+NH4"	19.041099
"1479658"	205.0838995	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H+NH4"	19.041099
"393280"	805.242618	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+Na"	22.989218
"756426"	1196.369318	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+Na"	22.989218
"1603141"	414.115918	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Na"	22.989218
"314675"	403.124947	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+H+Na"	23.996494
"708322"	598.688297	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+H+Na"	23.996494
"1462996"	207.561597	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H+Na"	23.996494
"1057339"	138.710156666667	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2H+Na"	25.00377
"1271423"	424.160186	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+CH3OH+H"	33.033486
"392185"	821.216558	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+K"	38.963158
"753912"	1212.343258	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+K"	38.963158
"1553410"	430.089858	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+K"	38.963158
"310948"	411.111917	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+H+K"	39.970434
"705195"	606.675267	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+H+K"	39.970434
"1452818"	215.548567	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H+K"	39.970434
"241416"	824.287226	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+ACN+H"	42.033826
"1217405"	433.160526	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+ACN+H"	42.033826
"1201287"	217.083901	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+ACN+2H"	43.041102
"193064"	827.22456	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+2Na-H"	44.97116
"635907"	1218.35126	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+2Na-H"	44.97116
"1137227"	436.09786	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2Na-H"	44.97116
"179784"	414.115918	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+2Na"	45.978436
"618253"	609.679268	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+2Na"	45.978436
"1119213"	218.552568	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2Na"	45.978436
"1406019"	146.037470666667	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H+2Na"	46.985712
"1440330"	438.139446	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H+HCOOH"	47.012746
"231116"	419.14894	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+3H2O+2H"	56.04448
"1519184"	452.19149	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+IsoProp+H"	61.06479
"418869"	422.102888	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+Na+K"	61.952376
"775490"	617.666238	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+Na+K"	61.952376
"1671821"	226.539538	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Na+K"	61.952376
"263807"	846.269168	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+ACN+Na"	64.015768
"1235422"	455.142468	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+ACN+Na"	64.015768
"1721028"	455.165993	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+NH4+HCOOH"	64.039293
"1183101"	153.364784666667	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+3Na"	68.967654
"1658465"	460.121388	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Na+HCOOH"	68.994688
"169702"	859.17244	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+2K-H"	76.91904
"603794"	1250.29914	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+2K-H"	76.91904
"1094867"	468.04574	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2K-H"	76.91904
"153870"	430.089858	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"2M+2K"	77.926316
"596351"	625.653208	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"3M+2K"	77.926316
"1082197"	234.526508	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2K"	77.926316
"1114803"	470.060292	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2K+H"	78.933592
"1347542"	470.147907	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+DMSO+H"	79.021207
"1020771"	474.187076	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2ACN+H"	83.060376
"1535287"	475.180708	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+IsoProp+Na+H"	84.054008
"999551"	237.597176	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+2ACN+2H"	84.067652
"1597335"	476.095328	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+K+HCOOH"	84.968628
"1424088"	506.126838	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+H+CF3COOH"	115.000138
"1158749"	258.110451	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+3ACN+2H"	125.094202
"1709393"	523.153385	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+NH4+CF3COOH"	132.026685
"1640671"	528.10878	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+Na+CF3COOH"	136.98208
"1581789"	544.08272	"C10686"	"Glycoperine"	"C19H21NO8"	"391.1267"	"M+K+CF3COOH"	152.95602
"805592"	250.1106	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M"	0
"979123"	231.09221	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-H2O-H"	-19.01839
"66272"	165.733124	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M-3H"	-3.021828
"502952"	249.103324	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M-3H"	-3.021828
"880476"	82.362924	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-3H"	-3.021828
"4398"	249.103324	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M-2H"	-2.014552
"442863"	374.158624	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M-2H"	-2.014552
"829418"	124.048024	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-2H"	-2.014552
"90503"	499.213924	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M-H"	-1.007276
"532248"	749.324524	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M-H"	-1.007276
"909324"	249.103324	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-H"	-1.007276
"55677"	516.240471	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M-2H+NH4"	16.019271
"494144"	766.351071	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M-2H+NH4"	16.019271
"870853"	266.129871	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-2H+NH4"	16.019271
"33285"	521.195866	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M-2H+Na"	20.974666
"484513"	771.306466	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M-2H+Na"	20.974666
"853929"	271.085266	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-2H+Na"	20.974666
"1619086"	271.085266	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Na-2H"	20.974666
"103273"	267.091663	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M-H+Cl"	33.962126
"535176"	392.146963	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M-H+Cl"	33.962126
"936353"	142.036363	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-H+Cl"	33.962126
"271628"	535.190602	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+Cl"	34.969402
"662955"	785.301202	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+Cl"	34.969402
"1276453"	285.080002	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Cl"	34.969402
"23387"	537.169806	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M-2H+K"	36.948606
"460765"	787.280406	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M-2H+K"	36.948606
"835283"	287.059206	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-2H+K"	36.948606
"1557678"	287.059206	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+K-2H"	36.948606
"947749"	295.108794	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-H+HCOOH"	44.998194
"361419"	545.219401	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+HCOOH-H"	44.998201
"355317"	559.235051	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+Hac-H"	59.013851
"1503058"	309.124451	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Hac-H"	59.013851
"964039"	317.090751	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-H+NaCOOH"	66.980151
"114766"	285.080002	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+2Cl"	69.938804
"554692"	410.135302	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+2Cl"	69.938804
"1028958"	160.024702	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2Cl"	69.938804
"1252911"	329.029485	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Br"	78.918885
"1314265"	331.085472	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Cl+HCOOH"	80.974872
"1324107"	353.067429	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Cl+NaCOOH"	102.956829
"918447"	363.096186	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M-H+CF3COOH"	112.985586
"1290176"	399.072864	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Cl+CF3COOH"	148.962264
"1374413"	215.097924	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H-2H2O"	-35.012676
"1389733"	233.1079	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H-H2O"	-17.0027
"287231"	501.228476	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+H"	1.007276
"680745"	751.339076	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+H"	1.007276
"1353811"	251.117876	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H"	1.007276
"127796"	251.117876	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+2H"	2.014552
"570635"	376.173176	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+2H"	2.014552
"1038705"	126.062576	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2H"	2.014552
"205876"	167.747676	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+3H"	3.021828
"646167"	251.117876	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+3H"	3.021828
"1165019"	84.377476	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+3H"	3.021828
"427928"	518.255023	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+NH4"	18.033823
"788926"	768.365623	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+NH4"	18.033823
"1683801"	268.144423	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+NH4"	18.033823
"330741"	259.6311495	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+H+NH4"	19.041099
"724135"	384.6864495	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+H+NH4"	19.041099
"1477588"	134.5758495	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H+NH4"	19.041099
"393719"	523.210418	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+Na"	22.989218
"755685"	773.321018	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+Na"	22.989218
"1603296"	273.099818	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Na"	22.989218
"314666"	262.108847	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+H+Na"	23.996494
"708553"	387.164147	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+H+Na"	23.996494
"1462495"	137.053547	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H+Na"	23.996494
"1057813"	91.70479	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2H+Na"	25.00377
"1272100"	283.144086	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+CH3OH+H"	33.033486
"392255"	539.184358	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+K"	38.963158
"753984"	789.294958	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+K"	38.963158
"1554613"	289.073758	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+K"	38.963158
"311056"	270.095817	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+H+K"	39.970434
"695828"	395.151117	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+H+K"	39.970434
"1449647"	145.040517	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H+K"	39.970434
"238247"	542.255026	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+ACN+H"	42.033826
"1215329"	292.144426	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+ACN+H"	42.033826
"1199210"	146.575851	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+ACN+2H"	43.041102
"190256"	545.19236	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+2Na-H"	44.97116
"634924"	795.30296	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+2Na-H"	44.97116
"1139524"	295.08176	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2Na-H"	44.97116
"178439"	273.099818	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+2Na"	45.978436
"616177"	398.155118	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+2Na"	45.978436
"1118230"	148.044518	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2Na"	45.978436
"1406129"	99.032104	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H+2Na"	46.985712
"1442262"	297.123346	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H+HCOOH"	47.012746
"231226"	278.13284	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+3H2O+2H"	56.04448
"1519294"	311.17539	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+IsoProp+H"	61.06479
"421895"	281.086788	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+Na+K"	61.952376
"781796"	406.142088	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+Na+K"	61.952376
"1677397"	156.031488	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Na+K"	61.952376
"263917"	564.236968	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+ACN+Na"	64.015768
"1237718"	314.126368	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+ACN+Na"	64.015768
"1722231"	314.149893	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+NH4+HCOOH"	64.039293
"1185397"	106.359418	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+3Na"	68.967654
"1656384"	319.105288	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Na+HCOOH"	68.994688
"170905"	577.14024	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+2K-H"	76.91904
"603904"	827.25084	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+2K-H"	76.91904
"1092790"	327.02964	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2K-H"	76.91904
"153980"	289.073758	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"2M+2K"	77.926316
"595607"	414.129058	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"3M+2K"	77.926316
"1081334"	164.018458	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2K"	77.926316
"1115282"	329.044192	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2K+H"	78.933592
"1349840"	329.131807	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+DMSO+H"	79.021207
"1020922"	333.170976	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2ACN+H"	83.060376
"1536490"	334.164608	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+IsoProp+Na+H"	84.054008
"999661"	167.089126	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+2ACN+2H"	84.067652
"1597445"	335.079228	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+K+HCOOH"	84.968628
"1425291"	365.110738	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+H+CF3COOH"	115.000138
"1158859"	187.602401	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+3ACN+2H"	125.094202
"1706223"	382.137285	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+NH4+CF3COOH"	132.026685
"1640781"	387.09268	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+Na+CF3COOH"	136.98208
"1581899"	403.06662	"C10687"	"Glycophymoline"	"C16H14N2O"	"250.1106"	"M+K+CF3COOH"	152.95602
"802422"	236.095	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M"	0
"974859"	217.07661	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-H2O-H"	-19.01839
"64195"	156.389390666667	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M-3H"	-3.021828
"503040"	235.087724	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M-3H"	-3.021828
"880827"	77.6910573333333	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-3H"	-3.021828
"4508"	235.087724	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M-2H"	-2.014552
"443336"	353.135224	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M-2H"	-2.014552
"825155"	117.040224	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-2H"	-2.014552
"88426"	471.182724	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M-H"	-1.007276
"531144"	707.277724	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M-H"	-1.007276
"902504"	235.087724	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-H"	-1.007276
"56881"	488.209271	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M-2H+NH4"	16.019271
"496440"	724.304271	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M-2H+NH4"	16.019271
"870963"	252.114271	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-2H+NH4"	16.019271
"35582"	493.164666	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M-2H+Na"	20.974666
"474777"	729.259666	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M-2H+Na"	20.974666
"851852"	257.069666	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-2H+Na"	20.974666
"1622838"	257.069666	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Na-2H"	20.974666
"99010"	253.076063	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M-H+Cl"	33.962126
"538563"	371.123563	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M-H+Cl"	33.962126
"935370"	135.028563	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-H+Cl"	33.962126
"270645"	507.159402	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+Cl"	34.969402
"661607"	743.254402	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+Cl"	34.969402
"1274377"	271.064402	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Cl"	34.969402
"23497"	509.138606	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M-2H+K"	36.948606
"460875"	745.233606	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M-2H+K"	36.948606
"833163"	273.043606	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-2H+K"	36.948606
"1556448"	273.043606	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+K-2H"	36.948606
"944579"	281.093194	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-H+HCOOH"	44.998194
"362182"	517.188201	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+HCOOH-H"	44.998201
"356520"	531.203851	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+Hac-H"	59.013851
"1498795"	295.108851	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Hac-H"	59.013851
"960868"	303.075151	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-H+NaCOOH"	66.980151
"112690"	271.064402	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+2Cl"	69.938804
"558082"	389.111902	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+2Cl"	69.938804
"1030161"	153.016902	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2Cl"	69.938804
"1250834"	315.013885	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Br"	78.918885
"1316563"	317.069872	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Cl+HCOOH"	80.974872
"1331872"	339.051829	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Cl+NaCOOH"	102.956829
"918557"	349.080586	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M-H+CF3COOH"	112.985586
"1295265"	385.057264	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Cl+CF3COOH"	148.962264
"1374522"	201.082324	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H-2H2O"	-35.012676
"1387648"	219.0923	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H-H2O"	-17.0027
"287341"	473.197276	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+H"	1.007276
"683042"	709.292276	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+H"	1.007276
"1353923"	237.102276	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H"	1.007276
"130093"	237.102276	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+2H"	2.014552
"571838"	355.149776	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+2H"	2.014552
"1037842"	119.054776	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2H"	2.014552
"205746"	158.403942666667	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+3H"	3.021828
"650288"	237.102276	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+3H"	3.021828
"1165859"	79.7056093333333	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+3H"	3.021828
"427675"	490.223823	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+NH4"	18.033823
"788308"	726.318823	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+NH4"	18.033823
"1683547"	254.128823	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+NH4"	18.033823
"332188"	245.6155495	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+H+NH4"	19.041099
"724244"	363.6630495	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+H+NH4"	19.041099
"1481343"	127.5680495	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H+NH4"	19.041099
"394559"	495.179218	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+Na"	22.989218
"757739"	731.274218	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+Na"	22.989218
"1605837"	259.084218	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Na"	22.989218
"315631"	248.093247	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+H+Na"	23.996494
"709394"	366.140747	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+H+Na"	23.996494
"1461754"	130.045747	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H+Na"	23.996494
"1061931"	87.0329233333333	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2H+Na"	25.00377
"1271277"	269.128486	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+CH3OH+H"	33.033486
"392453"	511.153158	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+K"	38.963158
"753852"	747.248158	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+K"	38.963158
"1554722"	275.058158	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+K"	38.963158
"311166"	256.080217	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+H+K"	39.970434
"695209"	374.127717	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+H+K"	39.970434
"1446477"	138.032717	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H+K"	39.970434
"237262"	514.223826	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+ACN+H"	42.033826
"1212159"	278.128826	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+ACN+H"	42.033826
"1198228"	139.568051	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+ACN+2H"	43.041102
"192191"	517.16116	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+2Na-H"	44.97116
"631755"	753.25616	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+2Na-H"	44.97116
"1137447"	281.06616	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2Na-H"	44.97116
"178551"	259.084218	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+2Na"	45.978436
"616287"	377.131718	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+2Na"	45.978436
"1117244"	141.036718	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2Na"	45.978436
"1400770"	94.3602373333333	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H+2Na"	46.985712
"1442735"	283.107746	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H+HCOOH"	47.012746
"228054"	264.11724	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+3H2O+2H"	56.04448
"1513935"	297.15979	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+IsoProp+H"	61.06479
"417994"	267.071188	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+Na+K"	61.952376
"782270"	385.118688	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+Na+K"	61.952376
"1670947"	149.023688	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Na+K"	61.952376
"254187"	536.205768	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+ACN+Na"	64.015768
"1240989"	300.110768	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+ACN+Na"	64.015768
"1720155"	300.134293	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+NH4+HCOOH"	64.039293
"1182956"	101.687551333333	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+3Na"	68.967654
"1658681"	305.089688	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Na+HCOOH"	68.994688
"171015"	549.10904	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+2K-H"	76.91904
"604014"	785.20404	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+2K-H"	76.91904
"1089620"	313.01404	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2K-H"	76.91904
"150810"	275.058158	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"2M+2K"	77.926316
"593651"	393.105658	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"3M+2K"	77.926316
"1075977"	157.010658	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2K"	77.926316
"1115540"	315.028592	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2K+H"	78.933592
"1350435"	315.116207	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+DMSO+H"	79.021207
"1021323"	319.155376	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2ACN+H"	83.060376
"1537694"	320.149008	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+IsoProp+Na+H"	84.054008
"999771"	160.081326	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+2ACN+2H"	84.067652
"1599742"	321.063628	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+K+HCOOH"	84.968628
"1425401"	351.095138	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+H+CF3COOH"	115.000138
"1158969"	180.594601	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+3ACN+2H"	125.094202
"1706333"	368.121685	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+NH4+CF3COOH"	132.026685
"1640891"	373.07708	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+Na+CF3COOH"	136.98208
"1582009"	389.05102	"C10688"	"Glycosminine"	"C15H12N2O"	"236.095"	"M+K+CF3COOH"	152.95602
"809092"	279.0895	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M"	0
"982623"	260.07111	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-H2O-H"	-19.01839
"68679"	185.052390666667	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M-3H"	-3.021828
"503298"	278.082224	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M-3H"	-3.021828
"881059"	92.0225573333333	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-3H"	-3.021828
"4618"	278.082224	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M-2H"	-2.014552
"446363"	417.626974	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M-2H"	-2.014552
"826357"	138.537474	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-2H"	-2.014552
"88536"	557.171724	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M-H"	-1.007276
"529188"	836.261224	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M-H"	-1.007276
"902614"	278.082224	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-H"	-1.007276
"54804"	574.198271	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M-2H+NH4"	16.019271
"496550"	853.287771	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M-2H+NH4"	16.019271
"873259"	295.108771	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-2H+NH4"	16.019271
"38969"	579.153666	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M-2H+Na"	20.974666
"476345"	858.243166	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M-2H+Na"	20.974666
"853055"	300.064166	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-2H+Na"	20.974666
"1621855"	300.064166	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Na-2H"	20.974666
"99120"	296.070563	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M-H+Cl"	33.962126
"537947"	435.615313	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M-H+Cl"	33.962126
"935480"	156.525813	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-H+Cl"	33.962126
"270755"	593.148402	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+Cl"	34.969402
"661351"	872.237902	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+Cl"	34.969402
"1276676"	314.058902	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Cl"	34.969402
"29687"	595.127606	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M-2H+K"	36.948606
"460985"	874.217106	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M-2H+K"	36.948606
"833190"	316.038106	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-2H+K"	36.948606
"1556805"	316.038106	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+K-2H"	36.948606
"944689"	324.087694	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-H+HCOOH"	44.998194
"368371"	603.177201	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+HCOOH-H"	44.998201
"355537"	617.192851	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+Hac-H"	59.013851
"1503280"	338.103351	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Hac-H"	59.013851
"962073"	346.069651	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-H+NaCOOH"	66.980151
"117539"	314.058902	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+2Cl"	69.938804
"562202"	453.603652	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+2Cl"	69.938804
"1029178"	174.514152	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2Cl"	69.938804
"1254591"	358.008385	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Br"	78.918885
"1318863"	360.064372	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Cl+HCOOH"	80.974872
"1331983"	382.046329	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Cl+NaCOOH"	102.956829
"920854"	392.075086	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M-H+CF3COOH"	112.985586
"1298655"	428.051764	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Cl+CF3COOH"	148.962264
"1379008"	244.076824	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H-2H2O"	-35.012676
"1384595"	262.0868	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H-H2O"	-17.0027
"285993"	559.186276	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+H"	1.007276
"679873"	838.275776	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+H"	1.007276
"1354033"	280.096776	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H"	1.007276
"135670"	280.096776	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+2H"	2.014552
"574865"	419.641526	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+2H"	2.014552
"1038563"	140.552026	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2H"	2.014552
"207922"	187.066942666667	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+3H"	3.021828
"646022"	280.096776	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+3H"	3.021828
"1166698"	94.0371093333333	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+3H"	3.021828
"427784"	576.212823	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+NH4"	18.033823
"791698"	855.302323	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+NH4"	18.033823
"1683657"	297.123323	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+NH4"	18.033823
"333029"	288.6100495	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+H+NH4"	19.041099
"727636"	428.1547995	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+H+NH4"	19.041099
"1481455"	149.0652995	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H+NH4"	19.041099
"395764"	581.168218	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+Na"	22.989218
"758945"	860.257718	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+Na"	22.989218
"1605951"	302.078718	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Na"	22.989218
"319267"	291.087747	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+H+Na"	23.996494
"711691"	430.632497	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+H+Na"	23.996494
"1466605"	151.542997	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H+Na"	23.996494
"1059854"	101.364423333333	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2H+Na"	25.00377
"1270295"	312.122986	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+CH3OH+H"	33.033486
"392519"	597.142158	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+K"	38.963158
"753638"	876.231658	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+K"	38.963158
"1553618"	318.052658	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+K"	38.963158
"311276"	299.074717	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+H+K"	39.970434
"699329"	438.619467	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+H+K"	39.970434
"1448774"	159.529967	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H+K"	39.970434
"237738"	600.212826	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+ACN+H"	42.033826
"1215549"	321.123326	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+ACN+H"	42.033826
"1204898"	161.065301	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+ACN+2H"	43.041102
"194487"	603.15016	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+2Na-H"	44.97116
"634051"	882.23966	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+2Na-H"	44.97116
"1139743"	324.06066	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2Na-H"	44.97116
"180846"	302.078718	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+2Na"	45.978436
"615667"	441.623468	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+2Na"	45.978436
"1120634"	162.533968	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2Na"	45.978436
"1403067"	108.691737333333	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H+2Na"	46.985712
"1443575"	326.102246	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H+HCOOH"	47.012746
"228164"	307.11174	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+3H2O+2H"	56.04448
"1516230"	340.15429	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+IsoProp+H"	61.06479
"420290"	310.065688	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+Na+K"	61.952376
"780923"	449.610438	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+Na+K"	61.952376
"1672149"	170.520938	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Na+K"	61.952376
"256483"	622.194768	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+ACN+Na"	64.015768
"1240491"	343.105268	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+ACN+Na"	64.015768
"1723545"	343.128793	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+NH4+HCOOH"	64.039293
"1183432"	116.019051333333	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+3Na"	68.967654
"1658791"	348.084188	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Na+HCOOH"	68.994688
"164564"	635.09804	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+2K-H"	76.91904
"601937"	914.18754	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+2K-H"	76.91904
"1090823"	356.00854	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2K-H"	76.91904
"150920"	318.052658	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"2M+2K"	77.926316
"587200"	457.597408	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"3M+2K"	77.926316
"1078274"	178.507908	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2K"	77.926316
"1115458"	358.023092	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2K+H"	78.933592
"1346777"	358.110707	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+DMSO+H"	79.021207
"1017492"	362.149876	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2ACN+H"	83.060376
"1533430"	363.143508	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+IsoProp+Na+H"	84.054008
"999881"	181.578576	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+2ACN+2H"	84.067652
"1600945"	364.058128	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+K+HCOOH"	84.968628
"1423325"	394.089638	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+H+CF3COOH"	115.000138
"1155799"	202.091851	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+3ACN+2H"	125.094202
"1706443"	411.116185	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+NH4+CF3COOH"	132.026685
"1644281"	416.07158	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+Na+CF3COOH"	136.98208
"1582119"	432.04552	"C10689"	"Graveoline"	"C17H13NO3"	"279.0895"	"M+K+CF3COOH"	152.95602
"812483"	390.2042	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M"	0
"979455"	371.18581	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-H2O-H"	-19.01839
"68790"	259.128857333333	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M-3H"	-3.021828
"512725"	389.196924	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M-3H"	-3.021828
"890525"	129.060790666667	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-3H"	-3.021828
"8008"	389.196924	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M-2H"	-2.014552
"446473"	584.299024	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M-2H"	-2.014552
"830839"	194.094824	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-2H"	-2.014552
"90832"	779.401124	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M-H"	-1.007276
"532579"	1169.605324	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M-H"	-1.007276
"908194"	389.196924	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-H"	-1.007276
"61725"	796.427671	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M-2H+NH4"	16.019271
"500914"	1186.631871	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M-2H+NH4"	16.019271
"875556"	406.223471	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-2H+NH4"	16.019271
"36894"	801.383066	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M-2H+Na"	20.974666
"477549"	1191.587266	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M-2H+Na"	20.974666
"851707"	411.178866	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-2H+Na"	20.974666
"1621968"	411.178866	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Na-2H"	20.974666
"96674"	407.185263	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M-H+Cl"	33.962126
"537692"	602.287363	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M-H+Cl"	33.962126
"938870"	212.083163	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-H+Cl"	33.962126
"269771"	815.377802	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+Cl"	34.969402
"662187"	1205.582002	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+Cl"	34.969402
"1274599"	425.173602	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Cl"	34.969402
"20437"	817.357006	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M-2H+K"	36.948606
"467657"	1207.561206	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M-2H+K"	36.948606
"835616"	427.152806	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-2H+K"	36.948606
"1556915"	427.152806	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+K-2H"	36.948606
"948081"	435.202394	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-H+HCOOH"	44.998194
"369575"	825.406601	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+HCOOH-H"	44.998201
"352366"	839.422251	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+Hac-H"	59.013851
"1502295"	449.218051	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Hac-H"	59.013851
"968743"	457.184351	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-H+NaCOOH"	66.980151
"115462"	425.173602	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+2Cl"	69.938804
"557208"	620.275702	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+2Cl"	69.938804
"1032569"	230.071502	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2Cl"	69.938804
"1255066"	469.123085	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Br"	78.918885
"1315690"	471.179072	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Cl+HCOOH"	80.974872
"1328814"	493.161029	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Cl+NaCOOH"	102.956829
"918777"	503.189786	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M-H+CF3COOH"	112.985586
"1295485"	539.166464	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Cl+CF3COOH"	148.962264
"1378024"	355.191524	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H-2H2O"	-35.012676
"1391147"	373.2015	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H-H2O"	-17.0027
"290836"	781.415676	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+H"	1.007276
"681073"	1171.619876	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+H"	1.007276
"1353414"	391.211476	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H"	1.007276
"130312"	391.211476	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+2H"	2.014552
"570965"	586.313576	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+2H"	2.014552
"1039768"	196.109376	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2H"	2.014552
"210949"	261.143409333333	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+3H"	3.021828
"650508"	391.211476	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+3H"	3.021828
"1167537"	131.075342666667	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+3H"	3.021828
"429717"	798.442223	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+NH4"	18.033823
"791808"	1188.646423	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+NH4"	18.033823
"1687047"	408.238023	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+NH4"	18.033823
"336419"	399.7247495	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+H+NH4"	19.041099
"727745"	594.8268495	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+H+NH4"	19.041099
"1482659"	204.6226495	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H+NH4"	19.041099
"399154"	803.397618	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+Na"	22.989218
"762337"	1193.601818	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+Na"	22.989218
"1607155"	413.193418	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Na"	22.989218
"324846"	402.202447	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+H+Na"	23.996494
"716176"	597.304547	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+H+Na"	23.996494
"1465623"	207.100347	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H+Na"	23.996494
"1058870"	138.402656666667	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2H+Na"	25.00377
"1271133"	423.237686	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+CH3OH+H"	33.033486
"391896"	819.371558	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+K"	38.963158
"751796"	1209.575758	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+K"	38.963158
"1555025"	429.167358	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+K"	38.963158
"311386"	410.189417	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+H+K"	39.970434
"697252"	605.291517	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+H+K"	39.970434
"1448884"	215.087317	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H+K"	39.970434
"240763"	822.442226	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+ACN+H"	42.033826
"1216751"	432.238026	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+ACN+H"	42.033826
"1203915"	216.622651	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+ACN+2H"	43.041102
"195692"	825.37956	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+2Na-H"	44.97116
"635254"	1215.58376	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+2Na-H"	44.97116
"1140947"	435.17536	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2Na-H"	44.97116
"184236"	413.193418	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+2Na"	45.978436
"618329"	608.295518	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+2Na"	45.978436
"1121838"	218.091318	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2Na"	45.978436
"1406822"	145.729970666667	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H+2Na"	46.985712
"1443321"	437.216946	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H+HCOOH"	47.012746
"228273"	418.22644	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+3H2O+2H"	56.04448
"1518890"	451.26899	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+IsoProp+H"	61.06479
"419305"	421.180388	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+Na+K"	61.952376
"777023"	616.282488	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+Na+K"	61.952376
"1674445"	226.078288	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Na+K"	61.952376
"259872"	844.424168	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+ACN+Na"	64.015768
"1234766"	454.219968	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+ACN+Na"	64.015768
"1721467"	454.243493	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+NH4+HCOOH"	64.039293
"1184634"	153.057284666667	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+3Na"	68.967654
"1659993"	459.198888	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Na+HCOOH"	68.994688
"159206"	857.32744	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+2K-H"	76.91904
"599860"	1247.53164	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+2K-H"	76.91904
"1090933"	467.12324	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2K-H"	76.91904
"151030"	429.167358	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"2M+2K"	77.926316
"587310"	624.269458	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"3M+2K"	77.926316
"1079477"	234.065258	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2K"	77.926316
"1114394"	469.137792	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2K+H"	78.933592
"1345794"	469.225407	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+DMSO+H"	79.021207
"1017602"	473.264576	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2ACN+H"	83.060376
"1533540"	474.258208	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+IsoProp+Na+H"	84.054008
"999991"	237.135926	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+2ACN+2H"	84.067652
"1599962"	475.172828	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+K+HCOOH"	84.968628
"1423435"	505.204338	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+H+CF3COOH"	115.000138
"1159189"	257.649201	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+3ACN+2H"	125.094202
"1706553"	522.230885	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+NH4+CF3COOH"	132.026685
"1644391"	527.18628	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+Na+CF3COOH"	136.98208
"1582229"	543.16022	"C10690"	"Megaphone"	"C22H30O6"	"390.2042"	"M+K+CF3COOH"	152.95602
"802873"	486.1791	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M"	0
"974702"	467.16071	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-H2O-H"	-19.01839
"65619"	323.112124	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M-3H"	-3.021828
"502878"	485.171824	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M-3H"	-3.021828
"879934"	161.052424	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-3H"	-3.021828
"828"	485.171824	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M-2H"	-2.014552
"442209"	728.261374	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M-2H"	-2.014552
"823295"	242.082274	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-2H"	-2.014552
"87662"	971.350924	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M-H"	-1.007276
"527222"	1457.530024	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M-H"	-1.007276
"903929"	485.171824	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-H"	-1.007276
"58305"	988.377471	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M-2H+NH4"	16.019271
"496771"	1474.556571	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M-2H+NH4"	16.019271
"871292"	502.198371	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-2H+NH4"	16.019271
"37005"	993.332866	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M-2H+Na"	20.974666
"476564"	1479.511966	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M-2H+Na"	20.974666
"851089"	507.153766	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-2H+Na"	20.974666
"1621347"	507.153766	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Na-2H"	20.974666
"100789"	503.160163	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M-H+Cl"	33.962126
"541080"	746.249713	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M-H+Cl"	33.962126
"930950"	260.070613	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-H+Cl"	33.962126
"272062"	1007.327602	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+Cl"	34.969402
"661933"	1493.506702	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+Cl"	34.969402
"1274101"	521.148502	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Cl"	34.969402
"23827"	1009.306806	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M-2H+K"	36.948606
"467766"	1495.485906	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M-2H+K"	36.948606
"834633"	523.127706	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-2H+K"	36.948606
"1561399"	523.127706	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+K-2H"	36.948606
"947098"	531.177294	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-H+HCOOH"	44.998194
"368591"	1017.356401	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+HCOOH-H"	44.998201
"355756"	1031.372051	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+Hac-H"	59.013851
"1504592"	545.192951	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Hac-H"	59.013851
"967759"	553.159251	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-H+NaCOOH"	66.980151
"114479"	521.148502	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+2Cl"	69.938804
"555131"	764.238052	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+2Cl"	69.938804
"1029398"	278.058952	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2Cl"	69.938804
"1250070"	565.097985	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Br"	78.918885
"1315800"	567.153972	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Cl+HCOOH"	80.974872
"1331841"	589.135929	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Cl+NaCOOH"	102.956829
"918887"	599.164686	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M-H+CF3COOH"	112.985586
"1296688"	635.141364	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Cl+CF3COOH"	148.962264
"1377041"	451.166424	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H-2H2O"	-35.012676
"1389069"	469.1764	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H-H2O"	-17.0027
"290946"	973.365476	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+H"	1.007276
"681183"	1459.544576	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+H"	1.007276
"1357531"	487.186376	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H"	1.007276
"131515"	487.186376	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+2H"	2.014552
"576542"	730.275926	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+2H"	2.014552
"1042065"	244.096826	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2H"	2.014552
"216528"	325.126676	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+3H"	3.021828
"647701"	487.186376	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+3H"	3.021828
"1166554"	163.066976	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+3H"	3.021828
"428733"	990.392023	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+NH4"	18.033823
"790095"	1476.571123	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+NH4"	18.033823
"1686066"	504.212923	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+NH4"	18.033823
"335437"	495.6996495	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+H+NH4"	19.041099
"731137"	738.7891995	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+H+NH4"	19.041099
"1482772"	252.6100995	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H+NH4"	19.041099
"402546"	995.347418	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+Na"	22.989218
"763541"	1481.526518	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+Na"	22.989218
"1610546"	509.168318	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Na"	22.989218
"326051"	498.177347	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+H+Na"	23.996494
"718473"	741.266897	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+H+Na"	23.996494
"1471201"	255.087797	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H+Na"	23.996494
"1056794"	170.39429	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2H+Na"	25.00377
"1270514"	519.212586	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+CH3OH+H"	33.033486
"391276"	1011.321358	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+K"	38.963158
"752270"	1497.500458	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+K"	38.963158
"1554691"	525.142258	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+K"	38.963158
"313684"	506.164317	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+H+K"	39.970434
"695174"	749.253867	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+H+K"	39.970434
"1447901"	263.074767	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H+K"	39.970434
"239780"	1014.392026	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+ACN+H"	42.033826
"1216862"	528.212926	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+ACN+H"	42.033826
"1200744"	264.610101	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+ACN+2H"	43.041102
"198716"	1017.32936	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+2Na-H"	44.97116
"637547"	1503.50846	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+2Na-H"	44.97116
"1135953"	531.15026	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2Na-H"	44.97116
"177783"	509.168318	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+2Na"	45.978436
"616251"	752.257868	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+2Na"	45.978436
"1120855"	266.078768	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2Na"	45.978436
"1405474"	177.721604	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H+2Na"	46.985712
"1443431"	533.191846	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H+HCOOH"	47.012746
"228383"	514.20134	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+3H2O+2H"	56.04448
"1518271"	547.24389	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+IsoProp+H"	61.06479
"418686"	517.155288	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+Na+K"	61.952376
"777862"	760.244838	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+Na+K"	61.952376
"1673462"	274.065738	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Na+K"	61.952376
"260347"	1036.373968	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+ACN+Na"	64.015768
"1232326"	550.194868	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+ACN+Na"	64.015768
"1720484"	550.218393	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+NH4+HCOOH"	64.039293
"1182557"	185.048918	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+3Na"	68.967654
"1659010"	555.173788	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Na+HCOOH"	68.994688
"159316"	1049.27724	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+2K-H"	76.91904
"599970"	1535.45634	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+2K-H"	76.91904
"1093230"	563.09814	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2K-H"	76.91904
"151140"	525.142258	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"2M+2K"	77.926316
"587419"	768.231808	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"3M+2K"	77.926316
"1079587"	282.052708	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2K"	77.926316
"1111706"	565.112692	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2K+H"	78.933592
"1349064"	565.200307	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+DMSO+H"	79.021207
"1017712"	569.239476	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2ACN+H"	83.060376
"1536930"	570.233108	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+IsoProp+Na+H"	84.054008
"1000101"	285.123376	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+2ACN+2H"	84.067652
"1600072"	571.147728	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+K+HCOOH"	84.968628
"1426825"	601.179238	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+H+CF3COOH"	115.000138
"1160393"	305.636651	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+3ACN+2H"	125.094202
"1706663"	618.205785	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+NH4+CF3COOH"	132.026685
"1644501"	623.16118	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+Na+CF3COOH"	136.98208
"1582339"	639.13512	"C10691"	"Haplodimerine"	"C28H26N2O6"	"486.1791"	"M+K+CF3COOH"	152.95602
"803955"	317.1627	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M"	0
"982953"	298.14431	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-H2O-H"	-19.01839
"69009"	210.434524	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M-3H"	-3.021828
"504196"	316.155424	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M-3H"	-3.021828
"888558"	104.713624	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-3H"	-3.021828
"4947"	316.155424	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M-2H"	-2.014552
"447786"	474.736774	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M-2H"	-2.014552
"820124"	157.574074	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-2H"	-2.014552
"85585"	633.318124	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M-H"	-1.007276
"528425"	950.480824	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M-H"	-1.007276
"904039"	316.155424	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-H"	-1.007276
"56228"	650.344671	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M-2H+NH4"	16.019271
"496881"	967.507371	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M-2H+NH4"	16.019271
"871402"	333.181971	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-2H+NH4"	16.019271
"41488"	655.300066	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M-2H+Na"	20.974666
"478860"	972.462766	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M-2H+Na"	20.974666
"853385"	338.137366	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-2H+Na"	20.974666
"1623280"	338.137366	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Na-2H"	20.974666
"99442"	334.143763	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M-H+Cl"	33.962126
"541191"	492.725113	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M-H+Cl"	33.962126
"929607"	175.562413	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-H+Cl"	33.962126
"271080"	669.294802	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+Cl"	34.969402
"660952"	986.457502	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+Cl"	34.969402
"1274819"	352.132102	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Cl"	34.969402
"22844"	671.274006	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M-2H+K"	36.948606
"464596"	988.436706	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M-2H+K"	36.948606
"841304"	354.111306	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-2H+K"	36.948606
"1561509"	354.111306	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+K-2H"	36.948606
"952676"	362.160894	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-H+HCOOH"	44.998194
"369795"	679.323601	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+HCOOH-H"	44.998201
"355867"	693.339251	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+Hac-H"	59.013851
"1505794"	376.176551	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Hac-H"	59.013851
"964585"	384.142851	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-H+NaCOOH"	66.980151
"115678"	352.132102	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+2Cl"	69.938804
"557426"	510.713452	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+2Cl"	69.938804
"1025133"	193.550752	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2Cl"	69.938804
"1244710"	396.081585	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Br"	78.918885
"1316642"	398.137572	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Cl+HCOOH"	80.974872
"1331951"	420.119529	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Cl+NaCOOH"	102.956829
"917903"	430.148286	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M-H+CF3COOH"	112.985586
"1297892"	466.124964	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Cl+CF3COOH"	148.962264
"1378244"	282.150024	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H-2H2O"	-35.012676
"1391368"	300.16	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H-H2O"	-17.0027
"293243"	635.332676	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+H"	1.007276
"686395"	952.495376	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+H"	1.007276
"1361651"	318.169976	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H"	1.007276
"129437"	318.169976	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+2H"	2.014552
"578111"	476.751326	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+2H"	2.014552
"1038892"	159.588626	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2H"	2.014552
"206062"	212.449076	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+3H"	3.021828
"647809"	318.169976	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+3H"	3.021828
"1165204"	106.728176	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+3H"	3.021828
"425683"	652.359223	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+NH4"	18.033823
"789841"	969.521923	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+NH4"	18.033823
"1690549"	335.196523	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+NH4"	18.033823
"335547"	326.6832495	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+H+NH4"	19.041099
"729060"	485.2645995	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+H+NH4"	19.041099
"1486163"	168.1018995	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H+NH4"	19.041099
"398282"	657.314618	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+Na"	22.989218
"763650"	974.477318	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+Na"	22.989218
"1610656"	340.151918	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Na"	22.989218
"323973"	329.160947	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+H+Na"	23.996494
"715303"	487.742297	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+H+Na"	23.996494
"1472404"	170.579597	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H+Na"	23.996494
"1055078"	114.05549	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2H+Na"	25.00377
"1268437"	350.196186	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+CH3OH+H"	33.033486
"385917"	673.288558	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+K"	38.963158
"749826"	990.451258	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+K"	38.963158
"1554795"	356.125858	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+K"	38.963158
"314125"	337.147917	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+H+K"	39.970434
"694555"	495.729267	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+H+K"	39.970434
"1449101"	178.566567	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H+K"	39.970434
"239889"	676.359226	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+ACN+H"	42.033826
"1212597"	359.196526	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+ACN+H"	42.033826
"1203041"	180.101901	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+ACN+2H"	43.041102
"194817"	679.29656	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+2Na-H"	44.97116
"636562"	996.45926	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+2Na-H"	44.97116
"1136790"	362.13386	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2Na-H"	44.97116
"178987"	340.151918	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+2Na"	45.978436
"620732"	498.733268	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+2Na"	45.978436
"1118775"	181.570568	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2Na"	45.978436
"1400108"	121.382804	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H+2Na"	46.985712
"1443541"	364.175446	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H+HCOOH"	47.012746
"227400"	345.18494	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+3H2O+2H"	56.04448
"1522391"	378.22749	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+IsoProp+H"	61.06479
"418431"	348.138888	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+Na+K"	61.952376
"780888"	506.720238	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+Na+K"	61.952376
"1670292"	189.557538	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Na+K"	61.952376
"258998"	698.341168	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+ACN+Na"	64.015768
"1232800"	381.178468	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+ACN+Na"	64.015768
"1721323"	381.201993	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+NH4+HCOOH"	64.039293
"1183395"	128.710118	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+3Na"	68.967654
"1656933"	386.157388	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Na+HCOOH"	68.994688
"159425"	711.24444	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+2K-H"	76.91904
"600444"	1028.40714	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+2K-H"	76.91904
"1093340"	394.08174	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2K-H"	76.91904
"147970"	356.125858	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"2M+2K"	77.926316
"590809"	514.707208	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"3M+2K"	77.926316
"1077511"	197.544508	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2K"	77.926316
"1110723"	396.096292	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2K+H"	78.933592
"1349294"	396.183907	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+DMSO+H"	79.021207
"1017823"	400.223076	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2ACN+H"	83.060376
"1535947"	401.216708	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+IsoProp+Na+H"	84.054008
"1000210"	200.615176	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+2ACN+2H"	84.067652
"1600182"	402.131328	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+K+HCOOH"	84.968628
"1426935"	432.162838	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+H+CF3COOH"	115.000138
"1158315"	221.128451	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+3ACN+2H"	125.094202
"1706773"	449.189385	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+NH4+CF3COOH"	132.026685
"1641331"	454.14478	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+Na+CF3COOH"	136.98208
"1582449"	470.11872	"C10692"	"Haplophyllidine"	"C18H23NO4"	"317.1627"	"M+K+CF3COOH"	152.95602
"812813"	668.2833	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M"	0
"979784"	649.26491	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-H2O-H"	-19.01839
"67297"	444.514924	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M-3H"	-3.021828
"503617"	667.276024	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M-3H"	-3.021828
"886483"	221.753824	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-3H"	-3.021828
"2141"	667.276024	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M-2H"	-2.014552
"443523"	1001.417674	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M-2H"	-2.014552
"823515"	333.134374	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-2H"	-2.014552
"88976"	1335.559324	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M-H"	-1.007276
"530723"	2003.842624	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M-H"	-1.007276
"904149"	667.276024	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-H"	-1.007276
"60108"	1352.585871	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M-2H+NH4"	16.019271
"494804"	2020.869171	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M-2H+NH4"	16.019271
"870418"	684.302571	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-2H+NH4"	16.019271
"39411"	1357.541266	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M-2H+Na"	20.974666
"480065"	2025.824566	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M-2H+Na"	20.974666
"855678"	689.257966	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-2H+Na"	20.974666
"1624484"	689.257966	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Na-2H"	20.974666
"102832"	685.264363	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M-H+Cl"	33.962126
"542393"	1019.406013	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M-H+Cl"	33.962126
"933724"	351.122713	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-H+Cl"	33.962126
"270824"	1371.536002	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+Cl"	34.969402
"661791"	2039.819302	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+Cl"	34.969402
"1277116"	703.252702	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Cl"	34.969402
"16226"	1373.515206	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M-2H+K"	36.948606
"462518"	2041.798506	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M-2H+K"	36.948606
"841414"	705.231906	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-2H+K"	36.948606
"1561620"	705.231906	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+K-2H"	36.948606
"954609"	713.281494	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-H+HCOOH"	44.998194
"369905"	1381.564801	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+HCOOH-H"	44.998201
"355978"	1395.580451	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+Hac-H"	59.013851
"1506269"	727.297151	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Hac-H"	59.013851
"964695"	735.263451	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-H+NaCOOH"	66.980151
"112506"	703.252702	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+2Cl"	69.938804
"558631"	1037.394352	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+2Cl"	69.938804
"1025243"	369.111052	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2Cl"	69.938804
"1248101"	747.202185	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Br"	78.918885
"1313830"	749.258172	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Cl+HCOOH"	80.974872
"1332061"	771.240129	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Cl+NaCOOH"	102.956829
"916920"	781.268886	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M-H+CF3COOH"	112.985586
"1300189"	817.245564	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Cl+CF3COOH"	148.962264
"1377990"	633.270624	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H-2H2O"	-35.012676
"1392573"	651.2806	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H-H2O"	-17.0027
"293353"	1337.573876	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+H"	1.007276
"688327"	2005.857176	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+H"	1.007276
"1359939"	669.290576	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H"	1.007276
"132829"	669.290576	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+2H"	2.014552
"576399"	1003.432226	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+2H"	2.014552
"1042283"	335.148926	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2H"	2.014552
"209088"	446.529476	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+3H"	3.021828
"649743"	669.290576	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+3H"	3.021828
"1166770"	223.768376	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+3H"	3.021828
"426768"	1354.600423	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+NH4"	18.033823
"789950"	2022.883723	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+NH4"	18.033823
"1687381"	686.317123	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+NH4"	18.033823
"338938"	677.8038495	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+H+NH4"	19.041099
"731360"	1011.9454995	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+H+NH4"	19.041099
"1488462"	343.6621995	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H+NH4"	19.041099
"402767"	1359.555818	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+Na"	22.989218
"763761"	2027.839118	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+Na"	22.989218
"1613684"	691.272518	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Na"	22.989218
"323721"	680.281547	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+H+Na"	23.996494
"718329"	1014.423197	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+H+Na"	23.996494
"1469234"	346.139897	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H+Na"	23.996494
"1053246"	231.09569	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2H+Na"	25.00377
"1268547"	701.316786	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+CH3OH+H"	33.033486
"388213"	1375.529758	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+K"	38.963158
"750665"	2043.813058	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+K"	38.963158
"1550165"	707.246458	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+K"	38.963158
"308435"	688.268517	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+H+K"	39.970434
"697581"	1022.410167	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+H+K"	39.970434
"1446296"	354.126867	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H+K"	39.970434
"238906"	1378.600426	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+ACN+H"	42.033826
"1213803"	710.317126	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+ACN+H"	42.033826
"1200965"	355.662201	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+ACN+2H"	43.041102
"196021"	1381.53776	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+2Na-H"	44.97116
"636674"	2049.82106	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+2Na-H"	44.97116
"1139087"	713.25446	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2Na-H"	44.97116
"178005"	691.272518	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+2Na"	45.978436
"617928"	1025.414168	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+2Na"	45.978436
"1119975"	357.130868	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2Na"	45.978436
"1399853"	238.423004	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H+2Na"	46.985712
"1443650"	715.296046	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H+HCOOH"	47.012746
"227510"	696.30554	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+3H2O+2H"	56.04448
"1519948"	729.34809	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+IsoProp+H"	61.06479
"418541"	699.259488	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+Na+K"	61.952376
"777351"	1033.401138	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+Na+K"	61.952376
"1669308"	365.117838	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Na+K"	61.952376
"256922"	1400.582368	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+ACN+Na"	64.015768
"1229631"	732.299068	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+ACN+Na"	64.015768
"1718516"	732.322593	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+NH4+HCOOH"	64.039293
"1188243"	245.750318	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+3Na"	68.967654
"1658136"	737.277988	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Na+HCOOH"	68.994688
"158443"	1413.48564	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+2K-H"	76.91904
"601283"	2081.76894	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+2K-H"	76.91904
"1086889"	745.20234	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2K-H"	76.91904
"150266"	707.246458	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"2M+2K"	77.926316
"590919"	1041.388108	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"3M+2K"	77.926316
"1078714"	373.104808	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2K"	77.926316
"1109740"	747.216892	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2K+H"	78.933592
"1343937"	747.304507	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+DMSO+H"	79.021207
"1017933"	751.343676	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2ACN+H"	83.060376
"1533870"	752.337308	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+IsoProp+Na+H"	84.054008
"997041"	376.175476	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+2ACN+2H"	84.067652
"1594825"	753.251928	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+K+HCOOH"	84.968628
"1425952"	783.283438	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+H+CF3COOH"	115.000138
"1158427"	396.688751	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+3ACN+2H"	125.094202
"1706883"	800.309985	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+NH4+CF3COOH"	132.026685
"1641441"	805.26538	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+Na+CF3COOH"	136.98208
"1582559"	821.23932	"C10693"	"Filicin;Filixic acid BBB"	"C36H44O12"	"668.2833"	"M+K+CF3COOH"	152.95602
"803082"	245.0688	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M"	0
"975032"	226.05041	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-H2O-H"	-19.01839
"69229"	162.371924	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M-3H"	-3.021828
"503441"	244.061524	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M-3H"	-3.021828
"884406"	80.682324	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-3H"	-3.021828
"4073"	244.061524	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M-2H"	-2.014552
"443633"	366.595924	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M-2H"	-2.014552
"824719"	121.527124	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-2H"	-2.014552
"89087"	489.130324	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M-H"	-1.007276
"528647"	734.199124	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M-H"	-1.007276
"904259"	244.061524	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-H"	-1.007276
"60459"	506.156871	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M-2H+NH4"	16.019271
"499288"	751.225671	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M-2H+NH4"	16.019271
"869435"	261.088071	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-2H+NH4"	16.019271
"41708"	511.112266	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M-2H+Na"	20.974666
"479081"	756.181066	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M-2H+Na"	20.974666
"855789"	266.043466	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-2H+Na"	20.974666
"1624594"	266.043466	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Na-2H"	20.974666
"102943"	262.049863	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M-H+Cl"	33.962126
"539589"	384.584263	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M-H+Cl"	33.962126
"930919"	139.515463	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-H+Cl"	33.962126
"272394"	525.107002	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+Cl"	34.969402
"660361"	770.175802	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+Cl"	34.969402
"1280506"	280.038202	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Cl"	34.969402
"17595"	527.086206	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M-2H+K"	36.948606
"461534"	772.155006	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M-2H+K"	36.948606
"841524"	282.017406	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-2H+K"	36.948606
"1561730"	282.017406	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+K-2H"	36.948606
"954719"	290.066994	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-H+HCOOH"	44.998194
"368922"	535.135801	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+HCOOH-H"	44.998201
"350618"	549.151451	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+Hac-H"	59.013851
"1506014"	304.082651	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Hac-H"	59.013851
"965900"	312.048951	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-H+NaCOOH"	66.980151
"116993"	280.038202	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+2Cl"	69.938804
"560930"	402.572602	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+2Cl"	69.938804
"1028635"	157.503802	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2Cl"	69.938804
"1249306"	323.987685	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Br"	78.918885
"1313940"	326.043672	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Cl+HCOOH"	80.974872
"1331442"	348.025629	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Cl+NaCOOH"	102.956829
"922498"	358.054386	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M-H+CF3COOH"	112.985586
"1300299"	394.031064	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Cl+CF3COOH"	148.962264
"1375184"	210.056124	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H-2H2O"	-35.012676
"1392683"	228.0661	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H-H2O"	-17.0027
"293463"	491.144876	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+H"	1.007276
"687708"	736.213676	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+H"	1.007276
"1364425"	246.076076	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H"	1.007276
"139501"	246.076076	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+2H"	2.014552
"576871"	368.610476	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+2H"	2.014552
"1042393"	123.541676	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2H"	2.014552
"210291"	164.386476	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+3H"	3.021828
"652040"	246.076076	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+3H"	3.021828
"1167247"	82.696876	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+3H"	3.021828
"430157"	508.171423	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+NH4"	18.033823
"790060"	753.240223	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+NH4"	18.033823
"1687491"	263.102623	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+NH4"	18.033823
"337955"	254.5893495	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+H+NH4"	19.041099
"735481"	377.1237495	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+H+NH4"	19.041099
"1491123"	132.0549495	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H+NH4"	19.041099
"404336"	513.126818	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+Na"	22.989218
"766423"	758.195618	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+Na"	22.989218
"1614158"	268.058018	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Na"	22.989218
"327842"	257.067047	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+H+Na"	23.996494
"720626"	379.601447	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+H+Na"	23.996494
"1471168"	134.532647	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H+Na"	23.996494
"1056394"	90.02419	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2H+Na"	25.00377
"1262089"	278.102286	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+CH3OH+H"	33.033486
"379569"	529.100758	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+K"	38.963158
"748223"	774.169558	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+K"	38.963158
"1549911"	284.031958	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+K"	38.963158
"305993"	265.054017	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+H+K"	39.970434
"694044"	387.588417	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+H+K"	39.970434
"1445658"	142.519617	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H+K"	39.970434
"238649"	532.171426	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+ACN+H"	42.033826
"1211726"	287.102626	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+ACN+H"	42.033826
"1199980"	144.054951	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+ACN+2H"	43.041102
"196131"	535.10876	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+2Na-H"	44.97116
"635691"	780.17756	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+2Na-H"	44.97116
"1137010"	290.03996	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2Na-H"	44.97116
"175928"	268.058018	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+2Na"	45.978436
"614758"	390.592418	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+2Na"	45.978436
"1118263"	145.523618	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2Na"	45.978436
"1400691"	97.351504	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H+2Na"	46.985712
"1437921"	292.081546	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H+HCOOH"	47.012746
"227618"	273.09104	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+3H2O+2H"	56.04448
"1516774"	306.13359	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+IsoProp+H"	61.06479
"415368"	276.044988	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+Na+K"	61.952376
"782201"	398.579388	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+Na+K"	61.952376
"1668325"	153.510588	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Na+K"	61.952376
"259218"	554.153368	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+ACN+Na"	64.015768
"1229741"	309.084568	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+ACN+Na"	64.015768
"1716439"	309.108093	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+NH4+HCOOH"	64.039293
"1186166"	104.678818	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+3Na"	68.967654
"1659339"	314.063488	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Na+HCOOH"	68.994688
"159277"	567.05664	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+2K-H"	76.91904
"599569"	812.12544	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+2K-H"	76.91904
"1086999"	321.98784	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2K-H"	76.91904
"143449"	284.031958	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"2M+2K"	77.926316
"585561"	406.566358	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"3M+2K"	77.926316
"1073356"	161.497558	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2K"	77.926316
"1108754"	324.002392	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2K+H"	78.933592
"1345141"	324.090007	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+DMSO+H"	79.021207
"1016949"	328.129176	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2ACN+H"	83.060376
"1533980"	329.122808	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+IsoProp+Na+H"	84.054008
"998245"	164.568226	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+2ACN+2H"	84.067652
"1588374"	330.037428	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+K+HCOOH"	84.968628
"1423875"	360.068938	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+H+CF3COOH"	115.000138
"1158537"	185.081501	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+3ACN+2H"	125.094202
"1706993"	377.095485	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+NH4+CF3COOH"	132.026685
"1638271"	382.05088	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+Na+CF3COOH"	136.98208
"1582669"	398.02482	"C10694"	"Haplopine;Heliparvifoline"	"C13H11NO4"	"245.0688"	"M+K+CF3COOH"	152.95602
"803192"	362.2093	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M"	0
"976357"	343.19091	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"69339"	240.465590666667	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"504162"	361.202024	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"885608"	119.729157333333	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"4183"	361.202024	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"443743"	542.306674	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"827015"	180.097374	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"90290"	723.411324	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"529850"	1085.620624	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"908743"	361.202024	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"61177"	740.437871	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"500370"	1102.647171	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"871731"	378.228571	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"41819"	745.393266	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"479556"	1107.602566	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"858085"	383.183966	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1626525"	383.183966	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"100866"	379.190363	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"540429"	560.295013	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"932485"	198.085713	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"269950"	759.388002	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"661403"	1121.597302	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1274411"	397.178702	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"17705"	761.367206	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"460550"	1123.576506	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"841634"	399.157906	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1565120"	399.157906	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"954829"	407.207494	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"367939"	769.416801	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"351822"	783.432451	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1505031"	421.223151	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"967103"	429.189451	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"117102"	397.178702	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"562862"	578.283352	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1030931"	216.074052	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1251602"	441.128185	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1315143"	443.184172	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1330454"	465.166129	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"923338"	475.194886	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1300409"	511.171564	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1375293"	327.196624	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1391700"	345.2066	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"293573"	725.425876	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"687089"	1087.635176	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1365627"	363.216576	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"139975"	363.216576	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"575888"	544.321226	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1046873"	182.111926	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"211495"	242.480142666667	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"652150"	363.216576	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1166993"	121.743709333333	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"429174"	742.452423	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"790170"	1104.661723	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1687602"	380.243123	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"340252"	371.7298495	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"737050"	552.8344995	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1491597"	190.6251995	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"405905"	747.407818	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"767992"	1109.617118	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1614266"	385.198518	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"326492"	374.207547	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"716725"	555.312197	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1467267"	193.102897	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1053587"	129.071023333333	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1264387"	395.242786	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"379679"	763.381758	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"746146"	1125.591058	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1544917"	401.172458	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"303185"	382.194517	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"701080"	563.299167	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1457087"	201.089867	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"237670"	766.452426	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1210743"	404.243126	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1198997"	202.625201	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"194054"	769.38976	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"633613"	1131.59906	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1133232"	407.18046	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"177130"	385.198518	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"614503"	566.303168	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1118010"	204.093868	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1401530"	136.398337333333	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1431467"	409.222046	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"220551"	390.23154	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1513604"	423.27409	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"416574"	393.185488	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"781947"	574.290138	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1672809"	212.080838	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"260421"	788.434368	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1234225"	426.225068	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1718736"	426.248593	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1186276"	143.725651333333	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1657264"	431.203988	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"166314"	801.33764	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"603689"	1163.54694	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1092576"	439.12834	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"148300"	401.172458	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"591139"	582.277108	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1075653"	220.067808	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1111051"	441.142892	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1350231"	441.230507	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1018152"	445.269676	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1534090"	446.263308	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"1001635"	223.138476	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1591764"	447.177928	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1422891"	477.209438	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1158648"	243.651751	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1703823"	494.235985	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1638381"	499.19138	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1582779"	515.16532	"C10695"	"Humulone"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"803302"	326.1994	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M"	0
"974646"	307.18101	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-H2O-H"	-19.01839
"69449"	216.458990666667	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M-3H"	-3.021828
"504272"	325.192124	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M-3H"	-3.021828
"885718"	107.725857333333	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-3H"	-3.021828
"6478"	325.192124	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M-2H"	-2.014552
"443854"	488.291824	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M-2H"	-2.014552
"827124"	162.092424	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-2H"	-2.014552
"89307"	651.391524	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M-H"	-1.007276
"525584"	977.590924	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M-H"	-1.007276
"903385"	325.192124	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-H"	-1.007276
"53386"	668.418071	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M-2H+NH4"	16.019271
"495134"	994.617471	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M-2H+NH4"	16.019271
"869655"	342.218671	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-2H+NH4"	16.019271
"39742"	673.373466	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M-2H+Na"	20.974666
"477478"	999.572866	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M-2H+Na"	20.974666
"853820"	347.174066	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-2H+Na"	20.974666
"1624449"	347.174066	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Na-2H"	20.974666
"103163"	343.180463	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M-H+Cl"	33.962126
"541631"	506.280163	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M-H+Cl"	33.962126
"932961"	180.080763	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-H+Cl"	33.962126
"271882"	687.368202	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+Cl"	34.969402
"663213"	1013.567602	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+Cl"	34.969402
"1275613"	361.168802	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Cl"	34.969402
"18179"	689.347406	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M-2H+K"	36.948606
"465034"	1015.546806	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M-2H+K"	36.948606
"845024"	363.148006	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-2H+K"	36.948606
"1564137"	363.148006	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+K-2H"	36.948606
"952023"	371.197594	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-H+HCOOH"	44.998194
"367320"	697.397001	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+HCOOH-H"	44.998201
"350838"	711.412651	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+Hac-H"	59.013851
"1498938"	385.213251	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Hac-H"	59.013851
"961376"	393.179551	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-H+NaCOOH"	66.980151
"113201"	361.168802	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+2Cl"	69.938804
"564187"	524.268502	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+2Cl"	69.938804
"1033228"	198.069102	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2Cl"	69.938804
"1251712"	405.118285	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Br"	78.918885
"1313066"	407.174272	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Cl+HCOOH"	80.974872
"1331656"	429.156229	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Cl+NaCOOH"	102.956829
"924178"	439.184986	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M-H+CF3COOH"	112.985586
"1301613"	475.161664	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Cl+CF3COOH"	148.962264
"1374310"	291.186724	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H-2H2O"	-35.012676
"1391810"	309.1967	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H-H2O"	-17.0027
"289308"	653.406076	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+H"	1.007276
"686105"	979.605476	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+H"	1.007276
"1364644"	327.206676	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H"	1.007276
"140085"	327.206676	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+2H"	2.014552
"572717"	490.306376	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+2H"	2.014552
"1048077"	164.106976	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2H"	2.014552
"209418"	218.473542666667	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+3H"	3.021828
"652260"	327.206676	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+3H"	3.021828
"1167467"	109.740409333333	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+3H"	3.021828
"427094"	670.432623	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+NH4"	18.033823
"790280"	996.632023	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+NH4"	18.033823
"1688806"	344.233223	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+NH4"	18.033823
"343642"	335.7199495	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+H+NH4"	19.041099
"736796"	498.8196495	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+H+NH4"	19.041099
"1489885"	172.6202495	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H+NH4"	19.041099
"406743"	675.388018	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+Na"	22.989218
"767980"	1001.587418	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+Na"	22.989218
"1614376"	349.188618	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Na"	22.989218
"325509"	338.197647	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+H+Na"	23.996494
"715741"	501.297347	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+H+Na"	23.996494
"1466284"	175.097947	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H+Na"	23.996494
"1054789"	117.067723333333	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2H+Na"	25.00377
"1264497"	359.232886	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+CH3OH+H"	33.033486
"379061"	691.361958	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+K"	38.963158
"746256"	1017.561358	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+K"	38.963158
"1545027"	365.162558	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+K"	38.963158
"302566"	346.184617	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+H+K"	39.970434
"699003"	509.284317	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+H+K"	39.970434
"1453915"	183.084917	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H+K"	39.970434
"237416"	694.432626	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+ACN+H"	42.033826
"1214132"	368.233226	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+ACN+H"	42.033826
"1200201"	184.620251	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+ACN+2H"	43.041102
"196351"	697.36996	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+2Na-H"	44.97116
"633723"	1023.56936	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+2Na-H"	44.97116
"1133950"	371.17056	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2Na-H"	44.97116
"176146"	349.188618	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+2Na"	45.978436
"616068"	512.288318	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+2Na"	45.978436
"1120305"	186.088918	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2Na"	45.978436
"1400545"	124.395037333333	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H+2Na"	46.985712
"1433757"	373.212146	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H+HCOOH"	47.012746
"221269"	354.22164	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+3H2O+2H"	56.04448
"1514804"	387.26419	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+IsoProp+H"	61.06479
"416684"	357.175588	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+Na+K"	61.952376
"779868"	520.275288	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+Na+K"	61.952376
"1672919"	194.075888	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Na+K"	61.952376
"259438"	716.414568	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+ACN+Na"	64.015768
"1234335"	390.215168	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+ACN+Na"	64.015768
"1717753"	390.238693	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+NH4+HCOOH"	64.039293
"1185293"	131.722351333333	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+3Na"	68.967654
"1657373"	395.194088	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Na+HCOOH"	68.994688
"164237"	729.31784	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+2K-H"	76.91904
"603799"	1055.51724	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+2K-H"	76.91904
"1090499"	403.11844	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2K-H"	76.91904
"148410"	365.162558	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"2M+2K"	77.926316
"587969"	528.262258	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"3M+2K"	77.926316
"1071024"	202.062858	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2K"	77.926316
"1111161"	405.132992	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2K+H"	78.933592
"1347546"	405.220607	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+DMSO+H"	79.021207
"1014982"	409.259776	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2ACN+H"	83.060376
"1528733"	410.253408	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+IsoProp+Na+H"	84.054008
"1000652"	205.133526	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+2ACN+2H"	84.067652
"1591874"	411.168028	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+K+HCOOH"	84.968628
"1423001"	441.199538	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+H+CF3COOH"	115.000138
"1158756"	225.646801	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+3ACN+2H"	125.094202
"1703933"	458.226085	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+NH4+CF3COOH"	132.026685
"1641771"	463.18148	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+Na+CF3COOH"	136.98208
"1582889"	479.15542	"C10696"	"Hydroquinidine"	"C20H26N2O2"	"326.1994"	"M+K+CF3COOH"	152.95602
"809973"	199.0633	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M"	0
"976944"	180.04491	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-H2O-H"	-19.01839
"66280"	131.701590666667	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M-3H"	-3.021828
"504747"	198.056024	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M-3H"	-3.021828
"886921"	65.3471573333333	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-3H"	-3.021828
"7682"	198.056024	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M-2H"	-2.014552
"447245"	297.587674	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M-2H"	-2.014552
"823955"	98.524374	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-2H"	-2.014552
"90510"	397.119324	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M-H"	-1.007276
"522778"	596.182624	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M-H"	-1.007276
"900215"	198.056024	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-H"	-1.007276
"50215"	414.145871	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M-2H+NH4"	16.019271
"495244"	613.209171	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M-2H+NH4"	16.019271
"868672"	215.082571	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-2H+NH4"	16.019271
"36936"	419.101266	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M-2H+Na"	20.974666
"476495"	618.164566	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M-2H+Na"	20.974666
"855023"	220.037966	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-2H+Na"	20.974666
"1626745"	220.037966	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Na-2H"	20.974666
"99993"	216.044363	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M-H+Cl"	33.962126
"541740"	315.576013	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M-H+Cl"	33.962126
"934162"	116.512713	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-H+Cl"	33.962126
"270533"	433.096002	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+Cl"	34.969402
"662959"	632.159302	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+Cl"	34.969402
"1274630"	234.032702	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Cl"	34.969402
"18289"	435.075206	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M-2H+K"	36.948606
"466237"	634.138506	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M-2H+K"	36.948606
"846957"	236.011906	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-2H+K"	36.948606
"1564247"	236.011906	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+K-2H"	36.948606
"953226"	244.061494	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-H+HCOOH"	44.998194
"368159"	443.124801	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+HCOOH-H"	44.998201
"349124"	457.140451	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+Hac-H"	59.013851
"1496496"	258.077151	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Hac-H"	59.013851
"961121"	266.043451	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-H+NaCOOH"	66.980151
"112216"	234.032702	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+2Cl"	69.938804
"561259"	333.564352	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+2Cl"	69.938804
"1030058"	134.501052	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2Cl"	69.938804
"1250729"	277.982185	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Br"	78.918885
"1313176"	280.038172	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Cl+HCOOH"	80.974872
"1328486"	302.020129	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Cl+NaCOOH"	102.956829
"921734"	312.048886	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M-H+CF3COOH"	112.985586
"1300630"	348.025564	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Cl+CF3COOH"	148.962264
"1373327"	164.050624	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H-2H2O"	-35.012676
"1393013"	182.0606	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H-H2O"	-17.0027
"291604"	399.133876	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+H"	1.007276
"686944"	598.197176	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+H"	1.007276
"1365119"	200.070576	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H"	1.007276
"135457"	200.070576	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+2H"	2.014552
"575744"	299.602226	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+2H"	2.014552
"1047093"	100.538926	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2H"	2.014552
"212809"	133.716142666667	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+3H"	3.021828
"653463"	200.070576	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+3H"	3.021828
"1170493"	67.3617093333333	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+3H"	3.021828
"426840"	416.160423	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+NH4"	18.033823
"791483"	615.223723	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+NH4"	18.033823
"1692196"	217.097123	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+NH4"	18.033823
"343755"	208.5838495	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+H+NH4"	19.041099
"737634"	308.1154995	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+H+NH4"	19.041099
"1489995"	109.0521995	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H+NH4"	19.041099
"405395"	421.115818	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+Na"	22.989218
"766389"	620.179118	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+Na"	22.989218
"1614122"	222.052518	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Na"	22.989218
"325619"	211.061547	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+H+Na"	23.996494
"715487"	310.593197	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+H+Na"	23.996494
"1470765"	111.529897	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H+Na"	23.996494
"1054174"	74.6890233333333	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2H+Na"	25.00377
"1264607"	232.096786	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+CH3OH+H"	33.033486
"382084"	437.089758	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+K"	38.963158
"746366"	636.153058	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+K"	38.963158
"1544043"	238.026458	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+K"	38.963158
"302308"	219.048517	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+H+K"	39.970434
"699112"	318.580167	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+H+K"	39.970434
"1454025"	119.516867	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H+K"	39.970434
"244812"	440.160426	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+ACN+H"	42.033826
"1218616"	241.097126	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+ACN+H"	42.033826
"1204685"	121.052201	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+ACN+2H"	43.041102
"196462"	443.09776	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+2Na-H"	44.97116
"636020"	642.16106	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+2Na-H"	44.97116
"1134424"	244.03446	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2Na-H"	44.97116
"177349"	222.052518	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+2Na"	45.978436
"614844"	321.584168	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+2Na"	45.978436
"1119321"	122.520868	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2Na"	45.978436
"1399808"	82.0163373333333	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H+2Na"	46.985712
"1431680"	246.076046	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H+HCOOH"	47.012746
"222229"	227.08554	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+3H2O+2H"	56.04448
"1511627"	260.12809	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+IsoProp+H"	61.06479
"420074"	230.039488	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+Na+K"	61.952376
"775603"	329.571138	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+Na+K"	61.952376
"1675215"	130.507838	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Na+K"	61.952376
"258455"	462.142368	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+ACN+Na"	64.015768
"1230070"	263.079068	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+ACN+Na"	64.015768
"1718957"	263.102593	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+NH4+HCOOH"	64.039293
"1182122"	89.3436513333333	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+3Na"	68.967654
"1657484"	268.057988	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Na+HCOOH"	68.994688
"167627"	475.04564	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+2K-H"	76.91904
"602816"	674.10894	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+2K-H"	76.91904
"1093890"	275.98234	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2K-H"	76.91904
"150707"	238.026458	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"2M+2K"	77.926316
"588079"	337.558108	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"3M+2K"	77.926316
"1071134"	138.494808	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2K"	77.926316
"1113458"	277.996892	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2K+H"	78.933592
"1348386"	278.084507	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+DMSO+H"	79.021207
"1020196"	282.123676	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2ACN+H"	83.060376
"1534310"	283.117308	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+IsoProp+Na+H"	84.054008
"1002584"	141.565476	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+2ACN+2H"	84.067652
"1596358"	284.031928	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+K+HCOOH"	84.968628
"1425298"	314.063438	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+H+CF3COOH"	115.000138
"1159961"	162.078751	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+3ACN+2H"	125.094202
"1710241"	331.089985	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+NH4+CF3COOH"	132.026685
"1646985"	336.04538	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+Na+CF3COOH"	136.98208
"1582999"	352.01932	"C10697"	"Isodictamnine"	"C12H9NO2"	"199.0633"	"M+K+CF3COOH"	152.95602
"803522"	301.1426	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M"	0
"978147"	282.12421	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-H2O-H"	-19.01839
"67483"	199.754457333333	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M-3H"	-3.021828
"504857"	300.135324	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M-3H"	-3.021828
"885938"	99.3735906666667	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-3H"	-3.021828
"9979"	300.135324	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H"	-2.014552
"447355"	450.706624	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H"	-2.014552
"824065"	149.564024	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-2H"	-2.014552
"88433"	601.277924	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M-H"	-1.007276
"520701"	902.420524	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M-H"	-1.007276
"900325"	300.135324	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-H"	-1.007276
"50324"	618.304471	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H+NH4"	16.019271
"492073"	919.447071	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H+NH4"	16.019271
"869873"	317.161871	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-2H+NH4"	16.019271
"37045"	623.259866	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H+Na"	20.974666
"475875"	924.402466	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H+Na"	20.974666
"853312"	322.117266	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-2H+Na"	20.974666
"1624670"	322.117266	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Na-2H"	20.974666
"97917"	318.123663	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M-H+Cl"	33.962126
"536749"	468.694963	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M-H+Cl"	33.962126
"932087"	167.552363	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-H+Cl"	33.962126
"271738"	637.254602	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+Cl"	34.969402
"660234"	938.397202	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+Cl"	34.969402
"1274017"	336.112002	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl"	34.969402
"15882"	639.233806	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M-2H+K"	36.948606
"464160"	940.376406	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M-2H+K"	36.948606
"837587"	338.091206	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-2H+K"	36.948606
"1555618"	338.091206	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+K-2H"	36.948606
"950054"	346.140794	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-H+HCOOH"	44.998194
"368269"	647.283401	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+HCOOH-H"	44.998201
"348140"	661.299051	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+Hac-H"	59.013851
"1493690"	360.156451	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Hac-H"	59.013851
"960502"	368.122751	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-H+NaCOOH"	66.980151
"110041"	336.112002	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+2Cl"	69.938804
"554077"	486.683302	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+2Cl"	69.938804
"1030168"	185.540702	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2Cl"	69.938804
"1250839"	380.061485	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Br"	78.918885
"1313286"	382.117472	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl+HCOOH"	80.974872
"1328596"	404.099429	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl+NaCOOH"	102.956829
"920750"	414.128186	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M-H+CF3COOH"	112.985586
"1299646"	450.104864	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Cl+CF3COOH"	148.962264
"1376717"	266.129924	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H-2H2O"	-35.012676
"1392030"	284.1399	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H-H2O"	-17.0027
"288434"	603.292476	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+H"	1.007276
"687418"	904.435076	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+H"	1.007276
"1360489"	302.149876	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H"	1.007276
"135931"	302.149876	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+2H"	2.014552
"575125"	452.721176	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+2H"	2.014552
"1048296"	151.578576	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2H"	2.014552
"212919"	201.769009333333	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+3H"	3.021828
"653572"	302.149876	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+3H"	3.021828
"1170604"	101.388142666667	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+3H"	3.021828
"427316"	620.319023	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+NH4"	18.033823
"790500"	921.461623	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+NH4"	18.033823
"1691943"	319.176423	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+NH4"	18.033823
"343501"	310.6631495	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+H+NH4"	19.041099
"735922"	461.2344495	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+H+NH4"	19.041099
"1489012"	160.0918495	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H+NH4"	19.041099
"405505"	625.274418	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+Na"	22.989218
"765406"	926.417018	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+Na"	22.989218
"1614962"	324.131818	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Na"	22.989218
"325365"	313.140847	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+H+Na"	23.996494
"715597"	463.712147	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+H+Na"	23.996494
"1467593"	162.569547	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H+Na"	23.996494
"1055009"	108.715456666667	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2H+Na"	25.00377
"1264717"	334.176086	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+CH3OH+H"	33.033486
"383288"	641.248358	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+K"	38.963158
"745377"	942.390958	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+K"	38.963158
"1545245"	340.105758	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+K"	38.963158
"307893"	321.127817	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+H+K"	39.970434
"695941"	471.699117	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+H+K"	39.970434
"1454135"	170.556517	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H+K"	39.970434
"246018"	644.319026	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+ACN+H"	42.033826
"1219819"	343.176426	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+ACN+H"	42.033826
"1201515"	172.091851	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+ACN+2H"	43.041102
"196573"	647.25636	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+2Na-H"	44.97116
"633944"	948.39896	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+2Na-H"	44.97116
"1133077"	346.11376	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2Na-H"	44.97116
"175395"	324.131818	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+2Na"	45.978436
"614833"	474.703118	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+2Na"	45.978436
"1117245"	173.560518	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2Na"	45.978436
"1399676"	116.042770666667	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H+2Na"	46.985712
"1430088"	348.155346	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H+HCOOH"	47.012746
"221489"	329.16484	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+3H2O+2H"	56.04448
"1511008"	362.20739	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+IsoProp+H"	61.06479
"414708"	332.118788	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+Na+K"	61.952376
"776797"	482.690088	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+Na+K"	61.952376
"1669854"	181.547488	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Na+K"	61.952376
"253822"	666.300968	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+ACN+Na"	64.015768
"1231262"	365.158368	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+ACN+Na"	64.015768
"1715784"	365.181893	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+NH4+HCOOH"	64.039293
"1185514"	123.370084666667	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+3Na"	68.967654
"1658687"	370.137288	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Na+HCOOH"	68.994688
"171016"	679.20424	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+2K-H"	76.91904
"600738"	980.34684	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+2K-H"	76.91904
"1094000"	378.06164	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2K-H"	76.91904
"150817"	340.105758	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"2M+2K"	77.926316
"591470"	490.677058	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"3M+2K"	77.926316
"1079264"	189.534458	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2K"	77.926316
"1114179"	380.076192	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2K+H"	78.933592
"1349468"	380.163807	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+DMSO+H"	79.021207
"1020186"	384.202976	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2ACN+H"	83.060376
"1531140"	385.196608	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+IsoProp+Na+H"	84.054008
"1001966"	192.605126	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+2ACN+2H"	84.067652
"1596468"	386.111228	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+K+HCOOH"	84.968628
"1426501"	416.142738	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+H+CF3COOH"	115.000138
"1160800"	213.118401	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+3ACN+2H"	125.094202
"1709987"	433.169285	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+NH4+CF3COOH"	132.026685
"1647459"	438.12468	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+Na+CF3COOH"	136.98208
"1583109"	454.09862	"C10698"	"Isofebrifugine"	"C16H19N3O3"	"301.1426"	"M+K+CF3COOH"	152.95602
"803632"	295.1208	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M"	0
"977164"	276.10241	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-H2O-H"	-19.01839
"70873"	195.739924	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M-3H"	-3.021828
"508247"	294.113524	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M-3H"	-3.021828
"893340"	97.366324	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-3H"	-3.021828
"12277"	294.113524	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M-2H"	-2.014552
"449652"	441.673924	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M-2H"	-2.014552
"825268"	146.553124	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-2H"	-2.014552
"85263"	589.234324	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M-H"	-1.007276
"520448"	884.355124	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M-H"	-1.007276
"904809"	294.113524	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-H"	-1.007276
"56996"	606.260871	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M-2H+NH4"	16.019271
"500566"	901.381671	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M-2H+NH4"	16.019271
"877397"	311.140071	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-2H+NH4"	16.019271
"37156"	611.216266	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M-2H+Na"	20.974666
"476715"	906.337066	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M-2H+Na"	20.974666
"854151"	316.095466	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-2H+Na"	20.974666
"1623686"	316.095466	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Na-2H"	20.974666
"98027"	312.101863	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M-H+Cl"	33.962126
"537588"	459.662263	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M-H+Cl"	33.962126
"930010"	164.541463	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-H+Cl"	33.962126
"268568"	625.211002	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+Cl"	34.969402
"660992"	920.331802	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+Cl"	34.969402
"1274614"	330.090202	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Cl"	34.969402
"16439"	627.190206	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M-2H+K"	36.948606
"455692"	922.311006	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M-2H+K"	36.948606
"839882"	332.069406	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-2H+K"	36.948606
"1560090"	332.069406	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+K-2H"	36.948606
"947975"	340.118994	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-H+HCOOH"	44.998194
"367285"	635.239801	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+HCOOH-H"	44.998201
"348250"	649.255451	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+Hac-H"	59.013851
"1495259"	354.134651	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Hac-H"	59.013851
"960613"	362.100951	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-H+NaCOOH"	66.980151
"110734"	330.090202	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+2Cl"	69.938804
"550905"	477.650602	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+2Cl"	69.938804
"1031371"	182.529802	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2Cl"	69.938804
"1250949"	374.039685	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Br"	78.918885
"1310116"	376.095672	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Cl+HCOOH"	80.974872
"1328706"	398.077629	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Cl+NaCOOH"	102.956829
"920860"	408.106386	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M-H+CF3COOH"	112.985586
"1298664"	444.083064	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Cl+CF3COOH"	148.962264
"1374636"	260.108124	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H-2H2O"	-35.012676
"1393960"	278.1181	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H-H2O"	-17.0027
"287450"	591.248876	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+H"	1.007276
"687164"	886.369676	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+H"	1.007276
"1360599"	296.128076	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H"	1.007276
"136768"	296.128076	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+2H"	2.014552
"577787"	443.688476	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+2H"	2.014552
"1049135"	148.567676	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2H"	2.014552
"216308"	197.754476	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+3H"	3.021828
"656963"	296.128076	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+3H"	3.021828
"1172901"	99.380876	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+3H"	3.021828
"431800"	608.275423	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+NH4"	18.033823
"789517"	903.396223	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+NH4"	18.033823
"1693508"	313.154623	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+NH4"	18.033823
"342517"	304.6413495	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+H+NH4"	19.041099
"734208"	452.2017495	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+H+NH4"	19.041099
"1489122"	157.0809495	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H+NH4"	19.041099
"405615"	613.230818	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+Na"	22.989218
"765152"	908.351618	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+Na"	22.989218
"1615436"	318.110018	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Na"	22.989218
"325475"	307.119047	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+H+Na"	23.996494
"715708"	454.679447	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+H+Na"	23.996494
"1469526"	159.558647	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H+Na"	23.996494
"1058762"	106.70819	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2H+Na"	25.00377
"1267011"	328.154286	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+CH3OH+H"	33.033486
"384491"	629.204758	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+K"	38.963158
"744395"	924.325558	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+K"	38.963158
"1544260"	334.083958	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+K"	38.963158
"303629"	315.106017	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+H+K"	39.970434
"696049"	462.666417	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+H+K"	39.970434
"1450965"	167.545617	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H+K"	39.970434
"245034"	632.275426	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+ACN+H"	42.033826
"1219929"	337.154626	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+ACN+H"	42.033826
"1197252"	169.080951	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+ACN+2H"	43.041102
"196683"	635.21276	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+2Na-H"	44.97116
"631139"	930.33356	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+2Na-H"	44.97116
"1134280"	340.09196	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2Na-H"	44.97116
"176478"	318.110018	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+2Na"	45.978436
"616035"	465.670418	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+2Na"	45.978436
"1117356"	170.549618	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2Na"	45.978436
"1400879"	114.035504	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H+2Na"	46.985712
"1430115"	342.133546	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H+HCOOH"	47.012746
"223786"	323.14304	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+3H2O+2H"	56.04448
"1514032"	356.18559	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+IsoProp+H"	61.06479
"414818"	326.096988	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+Na+K"	61.952376
"774720"	473.657388	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+Na+K"	61.952376
"1671057"	178.536588	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Na+K"	61.952376
"257572"	654.257368	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+ACN+Na"	64.015768
"1231372"	359.136568	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+ACN+Na"	64.015768
"1715894"	359.160093	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+NH4+HCOOH"	64.039293
"1186717"	121.362818	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+3Na"	68.967654
"1659890"	364.115488	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Na+HCOOH"	68.994688
"165659"	667.16064	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+2K-H"	76.91904
"604127"	962.28144	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+2K-H"	76.91904
"1091923"	372.03984	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2K-H"	76.91904
"153113"	334.083958	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"2M+2K"	77.926316
"591580"	481.644358	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"3M+2K"	77.926316
"1079374"	186.523558	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2K"	77.926316
"1114650"	374.054392	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2K+H"	78.933592
"1347876"	374.142007	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+DMSO+H"	79.021207
"1018592"	378.181176	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2ACN+H"	83.060376
"1531250"	379.174808	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+IsoProp+Na+H"	84.054008
"1003168"	189.594226	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+2ACN+2H"	84.067652
"1595485"	380.089428	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+K+HCOOH"	84.968628
"1423331"	410.120938	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+H+CF3COOH"	115.000138
"1161274"	210.107501	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+3ACN+2H"	125.094202
"1710826"	427.147485	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+NH4+CF3COOH"	132.026685
"1646476"	432.10288	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+Na+CF3COOH"	136.98208
"1583219"	448.07682	"C10699"	"Japonine"	"C18H17NO3"	"295.1208"	"M+K+CF3COOH"	152.95602
"803742"	136.0524	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M"	0
"979461"	117.03401	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"73170"	89.694324	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"508357"	135.045124	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"891625"	44.343524	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"14941"	135.045124	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"448669"	203.071324	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"827565"	67.018924	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"85373"	271.097524	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"527119"	407.149924	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"902732"	135.045124	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"59294"	288.124071	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"499947"	424.176471	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"878356"	152.071671	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"41275"	293.079466	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"478651"	429.131866	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"855357"	157.027066	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1625985"	157.027066	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"102514"	153.033463	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"539886"	221.059663	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"930121"	85.007263	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"269044"	307.074202	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"661103"	443.126602	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1277884"	171.021802	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"18253"	309.053406	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"458908"	445.105806	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"833552"	173.001006	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1558013"	173.001006	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"948086"	181.050594	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"366302"	317.103001	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"349090"	331.118651	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1495735"	195.066251	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"963274"	203.032551	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"112547"	171.021802	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"553202"	239.048002	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1030388"	102.995602	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1248872"	214.971285	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1312414"	217.027272	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1329910"	239.009229	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"922064"	249.037986	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1298772"	285.014664	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1376933"	101.039724	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1391154"	119.0497	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"285494"	273.112076	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"685450"	409.164476	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1360707"	137.059676	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"135421"	137.059676	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"576806"	205.085876	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1049614"	69.033476	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"215325"	91.708876	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"657073"	137.059676	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1174105"	46.358076	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"430816"	290.138623	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"791812"	426.191023	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1685960"	154.086223	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"337523"	145.5729495	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"733953"	213.5991495	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1483765"	77.5467495	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"399164"	295.094018	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"762345"	431.146418	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1609350"	159.041618	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"323762"	148.050647	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"712899"	216.076847	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1465626"	80.024447	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1055593"	53.68539	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1264935"	169.085886	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"383508"	311.067958	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"744505"	447.120358	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1544370"	175.015558	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"303739"	156.037617	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"693973"	224.063817	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1448888"	88.011417	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"240770"	314.138626	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1215666"	178.086226	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1200642"	89.546751	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"194606"	317.07596	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"633071"	453.12836	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1138762"	181.02356	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"183146"	159.041618	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"620519"	227.067818	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1120744"	91.015418	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1405357"	61.012704	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1434195"	183.065146	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"223896"	164.07464	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1514143"	197.11719	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"419302"	167.028588	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"772643"	235.054788	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1669343"	99.002388	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"257682"	336.120568	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1232576"	200.068168	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1714545"	200.091693	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1179173"	68.340018	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1655626"	205.047088	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"161395"	349.02384	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"599864"	485.07624	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1089846"	212.97144	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"148849"	175.015558	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"587314"	243.041758	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1079484"	106.989358	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1111601"	214.985992	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1346893"	215.073607	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1017609"	219.112776	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1531360"	220.106408	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"999998"	110.060026	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1595595"	221.021028	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1424535"	251.052538	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1157009"	130.573301	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1704373"	268.079085	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1647679"	273.03448	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1583329"	289.00842	"C10700"	"4-Hydroxyacetophenone;(4-Hydroxyphenyl)ethan-1-one"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"803852"	259.0845	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M"	0
"977748"	240.06611	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H2O-H"	-19.01839
"70000"	171.715724	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-3H"	-3.021828
"510655"	258.077224	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-3H"	-3.021828
"892829"	85.354224	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-3H"	-3.021828
"11404"	258.077224	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H"	-2.014552
"447685"	387.619474	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H"	-2.014552
"827675"	128.534974	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H"	-2.014552
"85483"	517.161724	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-H"	-1.007276
"527230"	776.246224	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-H"	-1.007276
"906123"	258.077224	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H"	-1.007276
"59404"	534.188271	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H+NH4"	16.019271
"497870"	793.272771	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H+NH4"	16.019271
"876765"	275.103771	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H+NH4"	16.019271
"40293"	539.143666	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H+Na"	20.974666
"478761"	798.228166	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H+Na"	20.974666
"855467"	280.059166	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H+Na"	20.974666
"1622815"	280.059166	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na-2H"	20.974666
"101531"	276.065563	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-H+Cl"	33.962126
"537807"	405.607813	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-H+Cl"	33.962126
"929137"	146.523313	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+Cl"	33.962126
"268055"	553.138402	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Cl"	34.969402
"662307"	812.222902	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+Cl"	34.969402
"1274223"	294.053902	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl"	34.969402
"16415"	555.117606	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H+K"	36.948606
"459018"	814.202106	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H+K"	36.948606
"833663"	296.033106	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H+K"	36.948606
"1560309"	296.033106	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K-2H"	36.948606
"951476"	304.082694	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+HCOOH"	44.998194
"365313"	563.167201	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+HCOOH-H"	44.998201
"348831"	577.182851	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Hac-H"	59.013851
"1494752"	318.098351	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Hac-H"	59.013851
"961198"	326.064651	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+NaCOOH"	66.980151
"111565"	294.053902	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2Cl"	69.938804
"552948"	423.596152	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2Cl"	69.938804
"1031591"	164.511652	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2Cl"	69.938804
"1247889"	338.003385	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Br"	78.918885
"1311430"	340.059372	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl+HCOOH"	80.974872
"1330020"	362.041329	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl+NaCOOH"	102.956829
"921080"	372.070086	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+CF3COOH"	112.985586
"1297789"	408.046764	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl+CF3COOH"	148.962264
"1377408"	224.071824	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H-2H2O"	-35.012676
"1386887"	242.0818	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H-H2O"	-17.0027
"287669"	519.176276	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H"	1.007276
"682278"	778.260776	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H"	1.007276
"1358629"	260.091776	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H"	1.007276
"130427"	260.091776	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2H"	2.014552
"576550"	389.634026	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2H"	2.014552
"1048264"	130.549526	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2H"	2.014552
"208875"	173.730276	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+3H"	3.021828
"654996"	260.091776	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+3H"	3.021828
"1170935"	87.368776	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+3H"	3.021828
"426555"	536.202823	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+NH4"	18.033823
"786942"	795.287323	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+NH4"	18.033823
"1686070"	277.118323	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+NH4"	18.033823
"339819"	268.6050495	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H+NH4"	19.041099
"733334"	398.1472995	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H+NH4"	19.041099
"1482782"	139.0627995	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+NH4"	19.041099
"399274"	541.158218	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Na"	22.989218
"760268"	800.242718	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+Na"	22.989218
"1609460"	282.073718	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na"	22.989218
"321685"	271.082747	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H+Na"	23.996494
"713009"	400.624997	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H+Na"	23.996494
"1466829"	141.540497	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+Na"	23.996494
"1057896"	94.69609	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2H+Na"	25.00377
"1266138"	292.117986	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+CH3OH+H"	33.033486
"383618"	557.132158	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+K"	38.963158
"745708"	816.216658	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+K"	38.963158
"1544480"	298.047658	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K"	38.963158
"302751"	279.069717	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H+K"	39.970434
"692990"	408.611967	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H+K"	39.970434
"1448997"	149.527467	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+K"	39.970434
"239787"	560.202826	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+ACN+H"	42.033826
"1213590"	301.118326	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+ACN+H"	42.033826
"1197471"	151.062801	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+ACN+2H"	43.041102
"199090"	563.14016	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2Na-H"	44.97116
"630995"	822.22466	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2Na-H"	44.97116
"1136686"	304.05566	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2Na-H"	44.97116
"178881"	282.073718	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2Na"	45.978436
"617349"	411.615968	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2Na"	45.978436
"1118666"	152.531468	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2Na"	45.978436
"1401824"	102.023404	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+2Na"	46.985712
"1433211"	306.097246	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+HCOOH"	47.012746
"221820"	287.10674	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+3H2O+2H"	56.04448
"1511702"	320.14929	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+IsoProp+H"	61.06479
"417955"	290.060688	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Na+K"	61.952376
"777128"	419.602938	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+Na+K"	61.952376
"1670181"	160.518438	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na+K"	61.952376
"256700"	582.184768	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+ACN+Na"	64.015768
"1232686"	323.100268	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+ACN+Na"	64.015768
"1715020"	323.123793	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+NH4+HCOOH"	64.039293
"1181470"	109.350718	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+3Na"	68.967654
"1657923"	328.079188	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na+HCOOH"	68.994688
"161505"	595.08804	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2K-H"	76.91904
"607629"	854.17254	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2K-H"	76.91904
"1094330"	336.00354	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2K-H"	76.91904
"152240"	298.047658	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2K"	77.926316
"587423"	427.589908	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2K"	77.926316
"1082145"	168.505408	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2K"	77.926316
"1112443"	338.018092	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2K+H"	78.933592
"1347004"	338.105707	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+DMSO+H"	79.021207
"1019663"	342.144876	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2ACN+H"	83.060376
"1534749"	343.138508	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+IsoProp+Na+H"	84.054008
"997923"	171.576076	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2ACN+2H"	84.067652
"1596799"	344.053128	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K+HCOOH"	84.968628
"1426467"	374.084638	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+CF3COOH"	115.000138
"1159305"	192.089351	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+3ACN+2H"	125.094202
"1707762"	391.111185	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+NH4+CF3COOH"	132.026685
"1645602"	396.06658	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na+CF3COOH"	136.98208
"1583439"	412.04052	"C10701"	"Kokusaginine;Furo(23-b)quinoline 467-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K+CF3COOH"	152.95602
"810523"	204.115	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M"	0
"980774"	185.09661	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-H2O-H"	-19.01839
"75578"	135.069390666667	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M-3H"	-3.021828
"514045"	203.107724	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M-3H"	-3.021828
"889660"	67.0310573333333	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-3H"	-3.021828
"13338"	203.107724	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M-2H"	-2.014552
"449982"	305.165224	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M-2H"	-2.014552
"827785"	101.050224	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-2H"	-2.014552
"85593"	407.222724	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M-H"	-1.007276
"529527"	611.337724	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M-H"	-1.007276
"904047"	203.107724	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-H"	-1.007276
"59514"	424.249271	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M-2H+NH4"	16.019271
"497981"	628.364271	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M-2H+NH4"	16.019271
"875417"	220.134271	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-2H+NH4"	16.019271
"38216"	429.204666	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M-2H+Na"	20.974666
"478872"	633.319666	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M-2H+Na"	20.974666
"856670"	225.089666	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-2H+Na"	20.974666
"1625109"	225.089666	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Na-2H"	20.974666
"98360"	221.096063	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M-H+Cl"	33.962126
"536461"	323.153563	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M-H+Cl"	33.962126
"929247"	119.038563	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-H+Cl"	33.962126
"267719"	443.199402	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+Cl"	34.969402
"661447"	647.314402	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+Cl"	34.969402
"1275914"	239.084402	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Cl"	34.969402
"21754"	445.178606	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M-2H+K"	36.948606
"459129"	649.293606	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M-2H+K"	36.948606
"834015"	241.063606	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-2H+K"	36.948606
"1559324"	241.063606	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+K-2H"	36.948606
"944050"	249.113194	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-H+HCOOH"	44.998194
"363237"	453.228201	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+HCOOH-H"	44.998201
"347119"	467.243851	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+Hac-H"	59.013851
"1494133"	263.128851	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Hac-H"	59.013851
"960580"	271.095151	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-H+NaCOOH"	66.980151
"110944"	239.084402	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+2Cl"	69.938804
"551964"	341.141902	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+2Cl"	69.938804
"1031701"	137.026902	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2Cl"	69.938804
"1249092"	283.033885	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Br"	78.918885
"1314821"	285.089872	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Cl+HCOOH"	80.974872
"1327943"	307.071829	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Cl+NaCOOH"	102.956829
"922650"	317.100586	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M-H+CF3COOH"	112.985586
"1297899"	353.077264	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Cl+CF3COOH"	148.962264
"1377518"	169.102324	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H-2H2O"	-35.012676
"1385906"	187.1123	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H-H2O"	-17.0027
"287779"	409.237276	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+H"	1.007276
"681295"	613.352276	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+H"	1.007276
"1356550"	205.122276	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H"	1.007276
"130537"	205.122276	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+2H"	2.014552
"575202"	307.179776	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+2H"	2.014552
"1050198"	103.064776	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2H"	2.014552
"211172"	137.083942666667	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+3H"	3.021828
"655106"	205.122276	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+3H"	3.021828
"1174325"	69.0456093333333	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+3H"	3.021828
"425571"	426.263823	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+NH4"	18.033823
"787660"	630.378823	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+NH4"	18.033823
"1685086"	222.148823	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+NH4"	18.033823
"342116"	213.6355495	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+H+NH4"	19.041099
"730165"	315.6930495	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+H+NH4"	19.041099
"1481798"	111.5780495	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H+NH4"	19.041099
"399382"	431.219218	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+Na"	22.989218
"761472"	635.334218	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+Na"	22.989218
"1610663"	227.104218	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Na"	22.989218
"319973"	216.113247	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+H+Na"	23.996494
"713119"	318.170747	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+H+Na"	23.996494
"1468033"	114.055747	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H+Na"	23.996494
"1054359"	76.3729233333333	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2H+Na"	25.00377
"1265155"	237.148486	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+CH3OH+H"	33.033486
"380813"	447.193158	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+K"	38.963158
"743632"	651.308158	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+K"	38.963158
"1545685"	243.078158	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+K"	38.963158
"301768"	224.100217	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+H+K"	39.970434
"694196"	326.157717	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+H+K"	39.970434
"1451296"	122.042717	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H+K"	39.970434
"244272"	450.263826	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+ACN+H"	42.033826
"1216980"	246.148826	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+ACN+H"	42.033826
"1197583"	123.578051	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+ACN+2H"	43.041102
"194827"	453.20116	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+2Na-H"	44.97116
"632199"	657.31616	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+2Na-H"	44.97116
"1137891"	249.08616	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2Na-H"	44.97116
"178992"	227.104218	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+2Na"	45.978436
"617459"	329.161718	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+2Na"	45.978436
"1119872"	125.046718	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2Na"	45.978436
"1399017"	83.7002373333333	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H+2Na"	46.985712
"1433323"	251.127746	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H+HCOOH"	47.012746
"223387"	232.13724	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+3H2O+2H"	56.04448
"1512905"	265.17979	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+IsoProp+H"	61.06479
"418429"	235.091188	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+Na+K"	61.952376
"776145"	337.148688	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+Na+K"	61.952376
"1667741"	133.033688	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Na+K"	61.952376
"254261"	472.245768	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+ACN+Na"	64.015768
"1231341"	268.130768	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+ACN+Na"	64.015768
"1717316"	268.154293	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+NH4+HCOOH"	64.039293
"1181944"	91.0275513333333	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+3Na"	68.967654
"1659126"	273.109688	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Na+HCOOH"	68.994688
"161615"	485.14904	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+2K-H"	76.91904
"601177"	689.26404	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+2K-H"	76.91904
"1090063"	281.03404	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2K-H"	76.91904
"149068"	243.078158	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"2M+2K"	77.926316
"594095"	345.135658	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"3M+2K"	77.926316
"1075328"	141.020658	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2K"	77.926316
"1112551"	283.048592	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2K+H"	78.933592
"1348207"	283.136207	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+DMSO+H"	79.021207
"1017829"	287.175376	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2ACN+H"	83.060376
"1533765"	288.169008	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+IsoProp+Na+H"	84.054008
"1000219"	144.091326	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+2ACN+2H"	84.067652
"1595815"	289.083628	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+K+HCOOH"	84.968628
"1426941"	319.115138	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+H+CF3COOH"	115.000138
"1158322"	164.604601	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+3ACN+2H"	125.094202
"1707872"	336.141685	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+NH4+CF3COOH"	132.026685
"1642431"	341.09708	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+Na+CF3COOH"	136.98208
"1573708"	357.07102	"C10702"	"4-Hydroxy-3-prenylacetophenone"	"C13H16O2"	"204.115"	"M+K+CF3COOH"	152.95602
"810633"	231.1259	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M"	0
"986352"	212.10751	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-H2O-H"	-19.01839
"75690"	153.076657333333	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M-3H"	-3.021828
"514156"	230.118624	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M-3H"	-3.021828
"890501"	76.0346906666667	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-3H"	-3.021828
"14178"	230.118624	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M-2H"	-2.014552
"453373"	345.681574	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M-2H"	-2.014552
"828988"	114.555674	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-2H"	-2.014552
"88984"	461.244524	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M-H"	-1.007276
"530731"	692.370424	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M-H"	-1.007276
"906345"	230.118624	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-H"	-1.007276
"58533"	478.271071	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M-2H+NH4"	16.019271
"501252"	709.396971	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M-2H+NH4"	16.019271
"873705"	247.145171	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-2H+NH4"	16.019271
"40876"	483.226466	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M-2H+Na"	20.974666
"473515"	714.352366	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M-2H+Na"	20.974666
"852044"	252.100566	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-2H+Na"	20.974666
"1624126"	252.100566	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Na-2H"	20.974666
"99564"	248.106963	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M-H+Cl"	33.962126
"536936"	363.669913	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M-H+Cl"	33.962126
"928264"	132.544013	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-H+Cl"	33.962126
"268274"	497.221202	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+Cl"	34.969402
"661437"	728.347102	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+Cl"	34.969402
"1274933"	266.095302	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Cl"	34.969402
"22957"	499.200406	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M-2H+K"	36.948606
"465801"	730.326306	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M-2H+K"	36.948606
"837042"	268.074506	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-2H+K"	36.948606
"1563810"	268.074506	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+K-2H"	36.948606
"947321"	276.124094	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-H+HCOOH"	44.998194
"366630"	507.250001	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+HCOOH-H"	44.998201
"347962"	521.265651	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+Hac-H"	59.013851
"1498618"	290.139751	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Hac-H"	59.013851
"966889"	298.106051	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-H+NaCOOH"	66.980151
"115795"	266.095302	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+2Cl"	69.938804
"552802"	381.658252	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+2Cl"	69.938804
"1031811"	150.532352	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2Cl"	69.938804
"1249202"	310.044785	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Br"	78.918885
"1314931"	312.100772	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Cl+HCOOH"	80.974872
"1328053"	334.082729	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Cl+NaCOOH"	102.956829
"921301"	344.111486	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M-H+CF3COOH"	112.985586
"1299102"	380.088164	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Cl+CF3COOH"	148.962264
"1373983"	196.113224	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H-2H2O"	-35.012676
"1387109"	214.1232	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H-H2O"	-17.0027
"288982"	463.259076	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+H"	1.007276
"683593"	694.384976	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+H"	1.007276
"1358849"	232.133176	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H"	1.007276
"131740"	232.133176	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+2H"	2.014552
"578594"	347.696126	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+2H"	2.014552
"1050674"	116.570226	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2H"	2.014552
"211282"	155.091209333333	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+3H"	3.021828
"655216"	232.133176	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+3H"	3.021828
"1171155"	78.0492426666667	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+3H"	3.021828
"428960"	480.285623	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+NH4"	18.033823
"788863"	711.411523	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+NH4"	18.033823
"1685196"	249.159723	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+NH4"	18.033823
"342228"	240.6464495	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+H+NH4"	19.041099
"731369"	356.2093995	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+H+NH4"	19.041099
"1485189"	125.0834995	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H+NH4"	19.041099
"400589"	485.241018	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+Na"	22.989218
"759393"	716.366918	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+Na"	22.989218
"1608586"	254.115118	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Na"	22.989218
"317167"	243.124147	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+H+Na"	23.996494
"715416"	358.687097	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+H+Na"	23.996494
"1468144"	127.561197	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H+Na"	23.996494
"1057021"	85.3765566666667	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2H+Na"	25.00377
"1261985"	264.159386	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+CH3OH+H"	33.033486
"380559"	501.214958	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+K"	38.963158
"741551"	732.340858	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+K"	38.963158
"1542514"	270.089058	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+K"	38.963158
"302971"	251.111117	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+H+K"	39.970434
"695400"	366.674067	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+H+K"	39.970434
"1452500"	135.548167	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H+K"	39.970434
"240008"	504.285626	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+ACN+H"	42.033826
"1213810"	273.159726	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+ACN+H"	42.033826
"1200974"	137.083501	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+ACN+2H"	43.041102
"191657"	507.22296	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+2Na-H"	44.97116
"631216"	738.34886	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+2Na-H"	44.97116
"1135816"	276.09706	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2Na-H"	44.97116
"175947"	254.115118	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+2Na"	45.978436
"613803"	369.678068	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+2Na"	45.978436
"1117795"	138.552168	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2Na"	45.978436
"1403505"	92.7038706666667	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H+2Na"	46.985712
"1434529"	278.138646	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H+HCOOH"	47.012746
"221311"	259.14814	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+3H2O+2H"	56.04448
"1508799"	292.19069	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+IsoProp+H"	61.06479
"413072"	262.102088	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+Na+K"	61.952376
"777349"	377.665038	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+Na+K"	61.952376
"1674778"	146.539138	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Na+K"	61.952376
"252670"	526.267568	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+ACN+Na"	64.015768
"1228902"	295.141668	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+ACN+Na"	64.015768
"1719614"	295.165193	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+NH4+HCOOH"	64.039293
"1189342"	100.031184666667	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+3Na"	68.967654
"1661423"	300.120588	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Na+HCOOH"	68.994688
"168285"	539.17084	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+2K-H"	76.91904
"607848"	770.29674	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+2K-H"	76.91904
"1096735"	308.04494	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2K-H"	76.91904
"151366"	270.089058	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"2M+2K"	77.926316
"592019"	385.652008	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"3M+2K"	77.926316
"1074345"	154.526108	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2K"	77.926316
"1111934"	310.059492	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2K+H"	78.933592
"1348315"	310.147107	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+DMSO+H"	79.021207
"1014657"	314.186276	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2ACN+H"	83.060376
"1530595"	315.179908	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+IsoProp+Na+H"	84.054008
"1003606"	157.596776	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+2ACN+2H"	84.067652
"1600298"	316.094528	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+K+HCOOH"	84.968628
"1428145"	346.126038	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+H+CF3COOH"	115.000138
"1159525"	178.110051	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+3ACN+2H"	125.094202
"1710169"	363.152585	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+NH4+CF3COOH"	132.026685
"1637072"	368.10798	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+Na+CF3COOH"	136.98208
"1574911"	384.08192	"C10703"	"Leiokinine A"	"C14H17NO2"	"231.1259"	"M+K+CF3COOH"	152.95602
"804182"	460.2097	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M"	0
"986462"	441.19131	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-H2O-H"	-19.01839
"74707"	305.799190666667	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M-3H"	-3.021828
"513173"	459.202424	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M-3H"	-3.021828
"888787"	152.395957333333	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-3H"	-3.021828
"10642"	459.202424	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M-2H"	-2.014552
"450201"	689.307274	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M-2H"	-2.014552
"821445"	229.097574	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-2H"	-2.014552
"84720"	919.412124	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M-H"	-1.007276
"527559"	1379.621824	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M-H"	-1.007276
"905360"	459.202424	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-H"	-1.007276
"56455"	936.438671	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M-2H+NH4"	16.019271
"494921"	1396.648371	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M-2H+NH4"	16.019271
"867617"	476.228971	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-2H+NH4"	16.019271
"38434"	941.394066	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M-2H+Na"	20.974666
"472166"	1401.603766	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M-2H+Na"	20.974666
"850691"	481.184366	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-2H+Na"	20.974666
"1622048"	481.184366	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Na-2H"	20.974666
"95662"	477.190763	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M-H+Cl"	33.962126
"535219"	707.295613	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M-H+Cl"	33.962126
"928004"	247.085913	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-H+Cl"	33.962126
"268260"	955.388802	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+Cl"	34.969402
"662640"	1415.598502	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+Cl"	34.969402
"1275043"	495.179102	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Cl"	34.969402
"21974"	957.368006	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M-2H+K"	36.948606
"462631"	1417.577706	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M-2H+K"	36.948606
"837152"	497.158306	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-2H+K"	36.948606
"1563920"	497.158306	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+K-2H"	36.948606
"947431"	505.207894	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-H+HCOOH"	44.998194
"366740"	965.417601	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+HCOOH-H"	44.998201
"348435"	979.433251	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+Hac-H"	59.013851
"1496900"	519.223551	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Hac-H"	59.013851
"959703"	527.189851	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-H+NaCOOH"	66.980151
"111527"	495.179102	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+2Cl"	69.938804
"551454"	725.283952	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+2Cl"	69.938804
"1030828"	265.074252	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2Cl"	69.938804
"1249312"	539.128585	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Br"	78.918885
"1313948"	541.184572	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Cl+HCOOH"	80.974872
"1327070"	563.166529	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Cl+NaCOOH"	102.956829
"921411"	573.195286	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M-H+CF3COOH"	112.985586
"1299212"	609.171964	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Cl+CF3COOH"	148.962264
"1375186"	425.197024	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H-2H2O"	-35.012676
"1387218"	443.207	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H-H2O"	-17.0027
"287999"	921.426676	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+H"	1.007276
"679329"	1381.636376	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+H"	1.007276
"1355679"	461.216976	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H"	1.007276
"131850"	461.216976	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+2H"	2.014552
"579433"	691.321826	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+2H"	2.014552
"1050055"	231.112126	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2H"	2.014552
"212485"	307.813742666667	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+3H"	3.021828
"654962"	461.216976	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+3H"	3.021828
"1171265"	154.410509333333	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+3H"	3.021828
"430163"	938.453223	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+NH4"	18.033823
"791159"	1398.662923	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+NH4"	18.033823
"1685306"	478.243523	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+NH4"	18.033823
"341974"	469.7302495	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+H+NH4"	19.041099
"730386"	699.8350995	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+H+NH4"	19.041099
"1485299"	239.6253995	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H+NH4"	19.041099
"400699"	943.408618	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+Na"	22.989218
"758410"	1403.618318	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+Na"	22.989218
"1609789"	483.198918	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Na"	22.989218
"316549"	472.207947	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+H+Na"	23.996494
"714433"	702.312797	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+H+Na"	23.996494
"1466068"	242.103097	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H+Na"	23.996494
"1060412"	161.737823333333	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2H+Na"	25.00377
"1260996"	493.243186	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+CH3OH+H"	33.033486
"377790"	959.382558	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+K"	38.963158
"740205"	1419.592258	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+K"	38.963158
"1540800"	499.172858	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+K"	38.963158
"300895"	480.194917	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+H+K"	39.970434
"695510"	710.299767	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+H+K"	39.970434
"1449328"	250.090067	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H+K"	39.970434
"236227"	962.453226	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+ACN+H"	42.033826
"1210150"	502.243526	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+ACN+H"	42.033826
"1197803"	251.625401	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+ACN+2H"	43.041102
"190673"	965.39056	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+2Na-H"	44.97116
"628571"	1425.60026	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+2Na-H"	44.97116
"1131542"	505.18086	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2Na-H"	44.97116
"172853"	483.198918	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+2Na"	45.978436
"612878"	713.303768	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+2Na"	45.978436
"1115873"	253.094068	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2Na"	45.978436
"1398545"	169.065137333333	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H+2Na"	46.985712
"1430667"	507.222446	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H+HCOOH"	47.012746
"220007"	488.23194	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+3H2O+2H"	56.04448
"1508536"	521.27449	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+IsoProp+H"	61.06479
"414275"	491.185888	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+Na+K"	61.952376
"777459"	721.290738	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+Na+K"	61.952376
"1672701"	261.081038	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Na+K"	61.952376
"257033"	984.435168	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+ACN+Na"	64.015768
"1227190"	524.225468	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+ACN+Na"	64.015768
"1719724"	524.248993	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+NH4+HCOOH"	64.039293
"1185080"	176.392451333333	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+3Na"	68.967654
"1658254"	529.204388	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Na+HCOOH"	68.994688
"168395"	997.33844	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+2K-H"	76.91904
"606865"	1457.54814	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+2K-H"	76.91904
"1094658"	537.12874	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2K-H"	76.91904
"149289"	499.172858	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"2M+2K"	77.926316
"591036"	729.277708	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"3M+2K"	77.926316
"1074455"	269.068008	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2K"	77.926316
"1110948"	539.143292	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2K+H"	78.933592
"1346238"	539.230907	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+DMSO+H"	79.021207
"1014767"	543.270076	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2ACN+H"	83.060376
"1526331"	544.263708	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+IsoProp+Na+H"	84.054008
"1004446"	272.138676	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+2ACN+2H"	84.067652
"1601501"	545.178328	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+K+HCOOH"	84.968628
"1428620"	575.209838	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+H+CF3COOH"	115.000138
"1159635"	292.651951	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+3ACN+2H"	125.094202
"1708094"	592.236385	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+NH4+CF3COOH"	132.026685
"1641557"	597.19178	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+Na+CF3COOH"	136.98208
"1575021"	613.16572	"C10704"	"alpha-Kosin"	"C25H32O8"	"460.2097"	"M+K+CF3COOH"	152.95602
"804292"	243.1259	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M"	0
"977824"	224.10751	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-H2O-H"	-19.01839
"77975"	161.076657333333	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M-3H"	-3.021828
"517656"	242.118624	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M-3H"	-3.021828
"892177"	80.0346906666667	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-3H"	-3.021828
"11845"	242.118624	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M-2H"	-2.014552
"452498"	363.681574	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M-2H"	-2.014552
"824835"	120.555674	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-2H"	-2.014552
"85923"	485.244524	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M-H"	-1.007276
"524389"	728.370424	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M-H"	-1.007276
"903284"	242.118624	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-H"	-1.007276
"54378"	502.271071	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M-2H+NH4"	16.019271
"495031"	745.396971	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M-2H+NH4"	16.019271
"870643"	259.145171	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-2H+NH4"	16.019271
"34534"	507.226466	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M-2H+Na"	20.974666
"473489"	750.352366	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M-2H+Na"	20.974666
"851164"	264.100566	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-2H+Na"	20.974666
"1619972"	264.100566	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Na-2H"	20.974666
"96136"	260.106963	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M-H+Cl"	33.962126
"537150"	381.669913	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M-H+Cl"	33.962126
"929572"	138.544013	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-H+Cl"	33.962126
"268859"	521.221202	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+Cl"	34.969402
"663114"	764.347102	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+Cl"	34.969402
"1276246"	278.095302	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Cl"	34.969402
"18073"	523.200406	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M-2H+K"	36.948606
"466021"	766.326306	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M-2H+K"	36.948606
"840542"	280.074506	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-2H+K"	36.948606
"1562937"	280.074506	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+K-2H"	36.948606
"946812"	288.124094	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-H+HCOOH"	44.998194
"366850"	531.250001	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+HCOOH-H"	44.998201
"347572"	545.265651	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+Hac-H"	59.013851
"1497742"	302.139751	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Hac-H"	59.013851
"960907"	310.106051	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-H+NaCOOH"	66.980151
"112366"	278.095302	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+2Cl"	69.938804
"551682"	399.658252	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+2Cl"	69.938804
"1022549"	156.532352	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2Cl"	69.938804
"1243220"	322.044785	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Br"	78.918885
"1312235"	324.100772	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Cl+HCOOH"	80.974872
"1324627"	346.082729	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Cl+NaCOOH"	102.956829
"923708"	356.111486	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M-H+CF3COOH"	112.985586
"1299322"	392.088164	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Cl+CF3COOH"	148.962264
"1375296"	208.113224	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H-2H2O"	-35.012676
"1388421"	226.1232	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H-H2O"	-17.0027
"286286"	487.259076	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+H"	1.007276
"679803"	730.384976	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+H"	1.007276
"1356881"	244.133176	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H"	1.007276
"130867"	244.133176	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+2H"	2.014552
"577719"	365.696126	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+2H"	2.014552
"1047975"	122.570226	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2H"	2.014552
"210408"	163.091209333333	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+3H"	3.021828
"652156"	244.133176	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+3H"	3.021828
"1170282"	82.0492426666667	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+3H"	3.021828
"429180"	504.285623	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+NH4"	18.033823
"792362"	747.411523	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+NH4"	18.033823
"1684323"	261.159723	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+NH4"	18.033823
"344271"	252.6464495	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+H+NH4"	19.041099
"733776"	374.2093995	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+H+NH4"	19.041099
"1485409"	131.0834995	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H+NH4"	19.041099
"402996"	509.241018	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+Na"	22.989218
"761803"	752.366918	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+Na"	22.989218
"1610994"	266.115118	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Na"	22.989218
"321031"	255.124147	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+H+Na"	23.996494
"715637"	376.687097	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+H+Na"	23.996494
"1465450"	133.561197	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H+Na"	23.996494
"1059063"	89.3765566666667	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2H+Na"	25.00377
"1261106"	276.159386	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+CH3OH+H"	33.033486
"378953"	525.214958	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+K"	38.963158
"740315"	768.340858	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+K"	38.963158
"1543828"	282.089058	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+K"	38.963158
"304285"	263.111117	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+H+K"	39.970434
"698899"	384.674067	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+H+K"	39.970434
"1450531"	141.548167	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H+K"	39.970434
"238039"	528.285626	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+ACN+H"	42.033826
"1209995"	285.159726	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+ACN+H"	42.033826
"1196819"	143.083501	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+ACN+2H"	43.041102
"190783"	531.22296	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+2Na-H"	44.97116
"628591"	774.34886	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+2Na-H"	44.97116
"1133845"	288.09706	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2Na-H"	44.97116
"173491"	266.115118	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+2Na"	45.978436
"612995"	387.678068	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+2Na"	45.978436
"1115985"	144.552168	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2Na"	45.978436
"1399223"	96.7038706666667	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H+2Na"	46.985712
"1430082"	290.138646	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H+HCOOH"	47.012746
"220189"	271.14814	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+3H2O+2H"	56.04448
"1508473"	304.19069	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+IsoProp+H"	61.06479
"411106"	274.102088	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+Na+K"	61.952376
"775383"	395.665038	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+Na+K"	61.952376
"1674998"	152.539138	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Na+K"	61.952376
"256050"	550.267568	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+ACN+Na"	64.015768
"1229852"	307.141668	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+ACN+Na"	64.015768
"1718737"	307.165193	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+NH4+HCOOH"	64.039293
"1188469"	104.031184666667	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+3Na"	68.967654
"1660550"	312.120588	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Na+HCOOH"	68.994688
"168505"	563.17084	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+2K-H"	76.91904
"606975"	806.29674	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+2K-H"	76.91904
"1095861"	320.04494	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2K-H"	76.91904
"149399"	282.089058	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"2M+2K"	77.926316
"591145"	403.652008	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"3M+2K"	77.926316
"1074565"	160.526108	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2K"	77.926316
"1111788"	322.059492	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2K+H"	78.933592
"1346347"	322.147107	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+DMSO+H"	79.021207
"1014876"	326.186276	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2ACN+H"	83.060376
"1526441"	327.179908	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+IsoProp+Na+H"	84.054008
"1003342"	163.596776	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+2ACN+2H"	84.067652
"1600517"	328.094528	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+K+HCOOH"	84.968628
"1429462"	358.126038	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+H+CF3COOH"	115.000138
"1160838"	184.110051	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+3ACN+2H"	125.094202
"1707110"	375.152585	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+NH4+CF3COOH"	132.026685
"1642760"	380.10798	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+Na+CF3COOH"	136.98208
"1575131"	396.08192	"C10705"	"Lemobiline"	"C15H17NO2"	"243.1259"	"M+K+CF3COOH"	152.95602
"804402"	414.277	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M"	0
"979027"	395.25861	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-H2O-H"	-19.01839
"78087"	275.177390666667	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M-3H"	-3.021828
"515581"	413.269724	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M-3H"	-3.021828
"890102"	137.085057333333	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-3H"	-3.021828
"10862"	413.269724	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M-2H"	-2.014552
"450421"	620.408224	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M-2H"	-2.014552
"827134"	206.131224	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-2H"	-2.014552
"86033"	827.546724	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M-H"	-1.007276
"525592"	1241.823724	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M-H"	-1.007276
"906675"	413.269724	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-H"	-1.007276
"57770"	844.573271	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M-2H+NH4"	16.019271
"497329"	1258.850271	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M-2H+NH4"	16.019271
"874034"	430.296271	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-2H+NH4"	16.019271
"39747"	849.528666	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M-2H+Na"	20.974666
"472995"	1263.805666	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M-2H+Na"	20.974666
"851035"	435.251666	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-2H+Na"	20.974666
"1620931"	435.251666	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Na-2H"	20.974666
"95882"	431.258063	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M-H+Cl"	33.962126
"536901"	638.396563	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M-H+Cl"	33.962126
"930415"	224.119563	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-H+Cl"	33.962126
"268969"	863.523402	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+Cl"	34.969402
"668328"	1277.800402	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+Cl"	34.969402
"1274533"	449.246402	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Cl"	34.969402
"18912"	865.502606	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M-2H+K"	36.948606
"468683"	1279.779606	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M-2H+K"	36.948606
"840652"	451.225606	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-2H+K"	36.948606
"1564141"	451.225606	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+K-2H"	36.948606
"956765"	459.275194	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-H+HCOOH"	44.998194
"368055"	873.552201	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+HCOOH-H"	44.998201
"350843"	887.567851	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+Hac-H"	59.013851
"1495663"	473.290851	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Hac-H"	59.013851
"961747"	481.257151	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-H+NaCOOH"	66.980151
"112475"	449.246402	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+2Cl"	69.938804
"552401"	656.384902	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+2Cl"	69.938804
"1024118"	242.107902	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2Cl"	69.938804
"1242603"	493.195885	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Br"	78.918885
"1311981"	495.251872	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Cl+HCOOH"	80.974872
"1328384"	517.233829	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Cl+NaCOOH"	102.956829
"923817"	527.262586	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M-H+CF3COOH"	112.985586
"1300160"	563.239264	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Cl+CF3COOH"	148.962264
"1378322"	379.264324	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H-2H2O"	-35.012676
"1384522"	397.2743	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H-H2O"	-17.0027
"286032"	829.561276	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+H"	1.007276
"682828"	1243.838276	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+H"	1.007276
"1352983"	415.284276	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H"	1.007276
"128788"	415.284276	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+2H"	2.014552
"578193"	622.422776	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+2H"	2.014552
"1048085"	208.145776	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2H"	2.014552
"208332"	277.191942666667	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+3H"	3.021828
"652266"	415.284276	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+3H"	3.021828
"1171485"	139.099609333333	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+3H"	3.021828
"429292"	846.587823	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+NH4"	18.033823
"791380"	1260.864823	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+NH4"	18.033823
"1688809"	432.310823	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+NH4"	18.033823
"344382"	423.7975495	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+H+NH4"	19.041099
"733886"	630.9360495	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+H+NH4"	19.041099
"1486612"	216.6590495	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H+NH4"	19.041099
"405294"	851.543218	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+Na"	22.989218
"765195"	1265.820218	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+Na"	22.989218
"1612197"	437.266218	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Na"	22.989218
"322233"	426.275247	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+H+Na"	23.996494
"714655"	633.413747	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+H+Na"	23.996494
"1468474"	219.136747	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H+Na"	23.996494
"1056258"	146.426923333333	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2H+Na"	25.00377
"1263404"	447.310486	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+CH3OH+H"	33.033486
"378700"	867.517158	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+K"	38.963158
"739331"	1281.794158	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+K"	38.963158
"1542845"	453.240158	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+K"	38.963158
"307675"	434.262217	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+H+K"	39.970434
"695731"	641.400717	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+H+K"	39.970434
"1450641"	227.123717	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H+K"	39.970434
"236040"	870.587826	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+ACN+H"	42.033826
"1210084"	456.310826	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+ACN+H"	42.033826
"1195831"	228.659051	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+ACN+2H"	43.041102
"188660"	873.52516	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+2Na-H"	44.97116
"629596"	1287.80216	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+2Na-H"	44.97116
"1135049"	459.24816	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2Na-H"	44.97116
"179432"	437.266218	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+2Na"	45.978436
"620086"	644.404718	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+2Na"	45.978436
"1120311"	230.127718	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2Na"	45.978436
"1398969"	153.754237333333	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H+2Na"	46.985712
"1430723"	461.289746	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H+HCOOH"	47.012746
"220084"	442.29924	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+3H2O+2H"	56.04448
"1509087"	475.34179	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+IsoProp+H"	61.06479
"409030"	445.253188	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+Na+K"	61.952376
"778774"	652.391688	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+Na+K"	61.952376
"1669641"	238.114688	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Na+K"	61.952376
"255066"	892.569768	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+ACN+Na"	64.015768
"1226316"	478.292768	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+ACN+Na"	64.015768
"1714474"	478.316293	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+NH4+HCOOH"	64.039293
"1185298"	161.081551333333	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+3Na"	68.967654
"1660660"	483.271688	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Na+HCOOH"	68.994688
"163148"	905.47304	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+2K-H"	76.91904
"602711"	1319.75004	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+2K-H"	76.91904
"1092691"	491.19604	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2K-H"	76.91904
"149508"	453.240158	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"2M+2K"	77.926316
"585787"	660.378658	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"3M+2K"	77.926316
"1074675"	246.101658	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2K"	77.926316
"1111166"	493.210592	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2K+H"	78.933592
"1343176"	493.298207	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+DMSO+H"	79.021207
"1013893"	497.337376	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2ACN+H"	83.060376
"1535299"	498.331008	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+IsoProp+Na+H"	84.054008
"996279"	249.172326	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+2ACN+2H"	84.067652
"1598439"	499.245628	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+K+HCOOH"	84.968628
"1427380"	529.277138	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+H+CF3COOH"	115.000138
"1160948"	269.685601	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+3ACN+2H"	125.094202
"1710500"	546.303685	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+NH4+CF3COOH"	132.026685
"1646152"	551.25908	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+Na+CF3COOH"	136.98208
"1583989"	567.23302	"C10706"	"Lupulone"	"C26H38O4"	"414.277"	"M+K+CF3COOH"	152.95602
"804512"	414.1679	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M"	0
"983510"	395.14951	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-H2O-H"	-19.01839
"78197"	275.104657333333	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M-3H"	-3.021828
"515691"	413.160624	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M-3H"	-3.021828
"894343"	137.048690666667	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-3H"	-3.021828
"12064"	413.160624	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M-2H"	-2.014552
"454784"	620.244574	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M-2H"	-2.014552
"829430"	206.076674	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-2H"	-2.014552
"89422"	827.328524	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M-H"	-1.007276
"531168"	1241.496424	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M-H"	-1.007276
"908974"	413.160624	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-H"	-1.007276
"58974"	844.355071	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M-2H+NH4"	16.019271
"499627"	1258.522971	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M-2H+NH4"	16.019271
"878397"	430.187171	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-2H+NH4"	16.019271
"46139"	849.310466	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M-2H+Na"	20.974666
"473592"	1263.478366	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M-2H+Na"	20.974666
"852119"	435.142566	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-2H+Na"	20.974666
"1625662"	435.142566	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Na-2H"	20.974666
"100005"	431.148963	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M-H+Cl"	33.962126
"539566"	638.232913	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M-H+Cl"	33.962126
"932349"	224.065013	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-H+Cl"	33.962126
"269450"	863.305202	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+Cl"	34.969402
"668438"	1277.473102	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+Cl"	34.969402
"1279747"	449.137302	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Cl"	34.969402
"24491"	865.284406	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M-2H+K"	36.948606
"470820"	1279.452306	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M-2H+K"	36.948606
"840761"	451.116506	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-2H+K"	36.948606
"1565344"	451.116506	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+K-2H"	36.948606
"954323"	459.166094	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-H+HCOOH"	44.998194
"371445"	873.334001	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+HCOOH-H"	44.998201
"354234"	887.349651	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+Hac-H"	59.013851
"1499786"	473.181751	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Hac-H"	59.013851
"964409"	481.148051	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-H+NaCOOH"	66.980151
"115140"	449.137302	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+2Cl"	69.938804
"557983"	656.221252	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+2Cl"	69.938804
"1033345"	242.053352	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2Cl"	69.938804
"1252923"	493.086785	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Br"	78.918885
"1317195"	495.142772	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Cl+HCOOH"	80.974872
"1330690"	517.124729	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Cl+NaCOOH"	102.956829
"926931"	527.153486	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M-H+CF3COOH"	112.985586
"1303189"	563.130164	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Cl+CF3COOH"	148.962264
"1382449"	379.155224	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H-2H2O"	-35.012676
"1389735"	397.1652	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H-H2O"	-17.0027
"290516"	829.343076	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+H"	1.007276
"681845"	1243.510976	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+H"	1.007276
"1357101"	415.175176	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H"	1.007276
"129262"	415.175176	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+2H"	2.014552
"578668"	622.259126	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+2H"	2.014552
"1049654"	208.091226	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2H"	2.014552
"212816"	277.119209333333	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+3H"	3.021828
"656386"	415.175176	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+3H"	3.021828
"1170501"	139.063242666667	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+3H"	3.021828
"432682"	846.369623	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+NH4"	18.033823
"791491"	1260.537523	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+NH4"	18.033823
"1688919"	432.201723	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+NH4"	18.033823
"343762"	423.6884495	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+H+NH4"	19.041099
"733997"	630.7723995	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+H+NH4"	19.041099
"1491705"	216.6044995	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H+NH4"	19.041099
"406497"	851.325018	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+Na"	22.989218
"766400"	1265.492918	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+Na"	22.989218
"1614495"	437.157118	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Na"	22.989218
"322344"	426.166147	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+H+Na"	23.996494
"718046"	633.250097	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+H+Na"	23.996494
"1470773"	219.082197	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H+Na"	23.996494
"1064022"	146.390556666667	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2H+Na"	25.00377
"1263514"	447.201386	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+CH3OH+H"	33.033486
"378810"	867.298958	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+K"	38.963158
"743089"	1281.466858	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+K"	38.963158
"1542955"	453.131058	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+K"	38.963158
"307785"	434.153117	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+H+K"	39.970434
"700216"	641.237067	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+H+K"	39.970434
"1449661"	227.069167	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H+K"	39.970434
"239353"	870.369626	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+ACN+H"	42.033826
"1211695"	456.201726	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+ACN+H"	42.033826
"1199221"	228.604501	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+ACN+2H"	43.041102
"194279"	873.30696	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+2Na-H"	44.97116
"632748"	1287.47486	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+2Na-H"	44.97116
"1133212"	459.13906	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2Na-H"	44.97116
"175289"	437.157118	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+2Na"	45.978436
"615334"	644.241068	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+2Na"	45.978436
"1117624"	230.073168	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2Na"	45.978436
"1399934"	153.717870666667	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H+2Na"	46.985712
"1432170"	461.180646	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H+HCOOH"	47.012746
"223572"	442.19014	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+3H2O+2H"	56.04448
"1509569"	475.23269	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+IsoProp+H"	61.06479
"409503"	445.144088	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+Na+K"	61.952376
"778884"	652.228038	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+Na+K"	61.952376
"1667565"	238.060138	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Na+K"	61.952376
"254081"	892.351568	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+ACN+Na"	64.015768
"1226138"	478.183668	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+ACN+Na"	64.015768
"1715680"	478.207193	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+NH4+HCOOH"	64.039293
"1184315"	161.045184666667	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+3Na"	68.967654
"1654210"	483.162588	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Na+HCOOH"	68.994688
"163258"	905.25484	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+2K-H"	76.91904
"598565"	1319.42274	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+2K-H"	76.91904
"1090614"	491.08694	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2K-H"	76.91904
"146337"	453.131058	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"2M+2K"	77.926316
"585897"	660.215008	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"3M+2K"	77.926316
"1074785"	246.047108	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2K"	77.926316
"1110183"	493.101492	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2K+H"	78.933592
"1342193"	493.189107	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+DMSO+H"	79.021207
"1011816"	497.228276	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2ACN+H"	83.060376
"1534316"	498.221908	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+IsoProp+Na+H"	84.054008
"995295"	249.117776	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+2ACN+2H"	84.067652
"1587325"	499.136528	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+K+HCOOH"	84.968628
"1424208"	529.168038	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+H+CF3COOH"	115.000138
"1157778"	269.631051	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+3ACN+2H"	125.094202
"1708423"	546.194585	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+NH4+CF3COOH"	132.026685
"1642980"	551.14998	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+Na+CF3COOH"	136.98208
"1584099"	567.12392	"C10707"	"Neoisostegane"	"C23H26O7"	"414.1679"	"M+K+CF3COOH"	152.95602
"808995"	404.1471	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M"	0
"983621"	385.12871	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-H2O-H"	-19.01839
"78537"	268.424124	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M-3H"	-3.021828
"517991"	403.139824	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M-3H"	-3.021828
"895460"	133.708424	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-3H"	-3.021828
"15647"	403.139824	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M-2H"	-2.014552
"453926"	605.213374	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M-2H"	-2.014552
"831606"	201.066274	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-2H"	-2.014552
"90627"	807.286924	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M-H"	-1.007276
"532375"	1211.434024	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M-H"	-1.007276
"909451"	403.139824	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-H"	-1.007276
"62000"	824.313471	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M-2H+NH4"	16.019271
"499739"	1228.460571	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M-2H+NH4"	16.019271
"876444"	420.166371	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-2H+NH4"	16.019271
"45682"	829.268866	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M-2H+Na"	20.974666
"473339"	1233.415966	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M-2H+Na"	20.974666
"851867"	425.121766	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-2H+Na"	20.974666
"1622493"	425.121766	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Na-2H"	20.974666
"97199"	421.128163	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M-H+Cl"	33.962126
"537853"	623.201713	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M-H+Cl"	33.962126
"932095"	219.054613	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-H+Cl"	33.962126
"268832"	843.263602	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+Cl"	34.969402
"668548"	1247.410702	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+Cl"	34.969402
"1278764"	439.116502	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Cl"	34.969402
"23508"	845.242806	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M-2H+K"	36.948606
"469268"	1249.389906	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M-2H+K"	36.948606
"840871"	441.095706	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-2H+K"	36.948606
"1568370"	441.095706	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+K-2H"	36.948606
"955892"	449.145294	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-H+HCOOH"	44.998194
"374835"	853.292401	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+HCOOH-H"	44.998201
"356532"	867.308051	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+Hac-H"	59.013851
"1500991"	463.160951	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Hac-H"	59.013851
"966343"	471.127251	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-H+NaCOOH"	66.980151
"117436"	439.116502	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+2Cl"	69.938804
"560281"	641.190052	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+2Cl"	69.938804
"1034548"	237.042952	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2Cl"	69.938804
"1249753"	483.065985	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Br"	78.918885
"1314389"	485.121972	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Cl+HCOOH"	80.974872
"1331893"	507.103929	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Cl+NaCOOH"	102.956829
"926840"	517.132686	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M-H+CF3COOH"	112.985586
"1302935"	553.109364	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Cl+CF3COOH"	148.962264
"1382398"	369.134424	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H-2H2O"	-35.012676
"1398452"	387.1444	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H-H2O"	-17.0027
"293543"	809.301476	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+H"	1.007276
"685601"	1213.448576	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+H"	1.007276
"1356119"	405.154376	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H"	1.007276
"134111"	405.154376	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+2H"	2.014552
"575131"	607.227926	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+2H"	2.014552
"1046118"	203.080826	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2H"	2.014552
"211834"	270.438676	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+3H"	3.021828
"653580"	405.154376	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+3H"	3.021828
"1173891"	135.722976	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+3H"	3.021828
"434980"	826.328023	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+NH4"	18.033823
"793789"	1230.475123	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+NH4"	18.033823
"1689029"	422.180923	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+NH4"	18.033823
"343872"	413.6676495	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+H+NH4"	19.041099
"734107"	615.7411995	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+H+NH4"	19.041099
"1491208"	211.5940995	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H+NH4"	19.041099
"406610"	831.283418	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+Na"	22.989218
"766511"	1235.430518	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+Na"	22.989218
"1615703"	427.136318	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Na"	22.989218
"329868"	416.145347	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+H+Na"	23.996494
"721317"	618.218897	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+H+Na"	23.996494
"1475136"	214.071797	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H+Na"	23.996494
"1067048"	143.05029	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2H+Na"	25.00377
"1261438"	437.180586	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+CH3OH+H"	33.033486
"380015"	847.257358	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+K"	38.963158
"739068"	1251.404458	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+K"	38.963158
"1540512"	443.110258	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+K"	38.963158
"301335"	424.132317	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+H+K"	39.970434
"700316"	626.205867	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+H+K"	39.970434
"1448679"	222.058767	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H+K"	39.970434
"237278"	850.328026	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+ACN+H"	42.033826
"1211077"	446.180926	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+ACN+H"	42.033826
"1200424"	223.594101	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+ACN+2H"	43.041102
"193298"	853.26536	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+2Na-H"	44.97116
"635045"	1257.41246	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+2Na-H"	44.97116
"1135267"	449.11826	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2Na-H"	44.97116
"177465"	427.136318	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+2Na"	45.978436
"620306"	629.209868	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+2Na"	45.978436
"1127092"	225.062768	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2Na"	45.978436
"1398583"	150.377604	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H+2Na"	46.985712
"1432890"	451.159846	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H+HCOOH"	47.012746
"222953"	432.16934	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+3H2O+2H"	56.04448
"1512839"	465.21189	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+IsoProp+H"	61.06479
"414717"	435.123288	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+Na+K"	61.952376
"780088"	637.196838	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+Na+K"	61.952376
"1676420"	233.049738	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Na+K"	61.952376
"258568"	872.309968	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+ACN+Na"	64.015768
"1229089"	468.162868	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+ACN+Na"	64.015768
"1715790"	468.186393	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+NH4+HCOOH"	64.039293
"1185519"	157.704918	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+3Na"	68.967654
"1654320"	473.141788	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Na+HCOOH"	68.994688
"168835"	885.21324	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+2K-H"	76.91904
"599767"	1289.36034	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+2K-H"	76.91904
"1087442"	481.06614	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2K-H"	76.91904
"143165"	443.110258	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"2M+2K"	77.926316
"584299"	645.183808	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"3M+2K"	77.926316
"1070273"	241.036708	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2K"	77.926316
"1105918"	483.080692	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2K+H"	78.933592
"1340116"	483.168307	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+DMSO+H"	79.021207
"1007673"	487.207476	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2ACN+H"	83.060376
"1526771"	488.201108	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+IsoProp+Na+H"	84.054008
"995405"	244.107376	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+2ACN+2H"	84.067652
"1589909"	489.115728	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+K+HCOOH"	84.968628
"1422131"	519.147238	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+H+CF3COOH"	115.000138
"1155701"	264.620651	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+3ACN+2H"	125.094202
"1705252"	536.173785	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+NH4+CF3COOH"	132.026685
"1643090"	541.12918	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+Na+CF3COOH"	136.98208
"1584209"	557.10312	"C10708"	"Mallotophenone"	"C21H24O8"	"404.1471"	"M+K+CF3COOH"	152.95602
"811293"	210.0892	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M"	0
"983731"	191.07081	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-H2O-H"	-19.01839
"78056"	139.052190666667	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M-3H"	-3.021828
"517613"	209.081924	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M-3H"	-3.021828
"895409"	69.0224573333333	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-3H"	-3.021828
"15329"	209.081924	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M-2H"	-2.014552
"452943"	314.126524	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M-2H"	-2.014552
"830622"	104.037324	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-2H"	-2.014552
"89645"	419.171124	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M-H"	-1.007276
"530667"	629.260324	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M-H"	-1.007276
"909194"	209.081924	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-H"	-1.007276
"60896"	436.197671	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M-2H+NH4"	16.019271
"500942"	646.286871	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M-2H+NH4"	16.019271
"877163"	226.108471	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-2H+NH4"	16.019271
"45427"	441.153066	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M-2H+Na"	20.974666
"475272"	651.242266	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M-2H+Na"	20.974666
"849791"	231.063866	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-2H+Na"	20.974666
"1622604"	231.063866	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Na-2H"	20.974666
"94879"	227.070263	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M-H+Cl"	33.962126
"538692"	332.114863	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M-H+Cl"	33.962126
"931112"	122.025663	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-H+Cl"	33.962126
"271858"	455.147802	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+Cl"	34.969402
"665378"	665.237002	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+Cl"	34.969402
"1274863"	245.058602	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Cl"	34.969402
"18148"	457.127006	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M-2H+K"	36.948606
"463180"	667.216206	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M-2H+K"	36.948606
"837700"	247.037806	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-2H+K"	36.948606
"1567386"	247.037806	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+K-2H"	36.948606
"953447"	255.087394	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-H+HCOOH"	44.998194
"372757"	465.176601	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+HCOOH-H"	44.998201
"356639"	479.192251	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+Hac-H"	59.013851
"1498911"	269.103051	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Hac-H"	59.013851
"973621"	277.069351	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-H+NaCOOH"	66.980151
"115723"	245.058602	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+2Cl"	69.938804
"551642"	350.103202	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+2Cl"	69.938804
"1027366"	140.014002	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2Cl"	69.938804
"1249861"	289.008085	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Br"	78.918885
"1317782"	291.064072	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Cl+HCOOH"	80.974872
"1333455"	313.046029	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Cl+NaCOOH"	102.956829
"926217"	323.074786	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M-H+CF3COOH"	112.985586
"1301588"	359.051464	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Cl+CF3COOH"	148.962264
"1377925"	175.076524	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H-2H2O"	-35.012676
"1386676"	193.0865	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H-H2O"	-17.0027
"289645"	421.185676	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+H"	1.007276
"683161"	631.274876	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+H"	1.007276
"1362427"	211.096476	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H"	1.007276
"134222"	211.096476	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+2H"	2.014552
"579616"	316.141076	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+2H"	2.014552
"1046228"	106.051876	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2H"	2.014552
"217410"	141.066742666667	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+3H"	3.021828
"654783"	211.096476	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+3H"	3.021828
"1172544"	71.0370093333333	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+3H"	3.021828
"437276"	438.212223	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+NH4"	18.033823
"794993"	648.301423	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+NH4"	18.033823
"1694608"	228.123023	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+NH4"	18.033823
"344712"	219.6097495	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+H+NH4"	19.041099
"738111"	324.6543495	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+H+NH4"	19.041099
"1492417"	114.5651495	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H+NH4"	19.041099
"408410"	443.167618	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+Na"	22.989218
"769540"	653.256818	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+Na"	22.989218
"1618404"	233.078418	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Na"	22.989218
"329132"	222.087447	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+H+Na"	23.996494
"721427"	327.132047	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+H+Na"	23.996494
"1475247"	117.042847	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H+Na"	23.996494
"1066066"	78.3643233333333	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2H+Na"	25.00377
"1269207"	243.122686	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+CH3OH+H"	33.033486
"387782"	459.141558	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+K"	38.963158
"744403"	669.230758	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+K"	38.963158
"1544269"	249.052358	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+K"	38.963158
"309099"	230.074417	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+H+K"	39.970434
"704801"	335.119017	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+H+K"	39.970434
"1454257"	125.029817	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H+K"	39.970434
"243950"	462.212226	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+ACN+H"	42.033826
"1215564"	252.123026	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+ACN+H"	42.033826
"1203456"	126.565151	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+ACN+2H"	43.041102
"196689"	465.14956	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+2Na-H"	44.97116
"636251"	675.23876	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+2Na-H"	44.97116
"1139756"	255.06036	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2Na-H"	44.97116
"183044"	233.078418	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+2Na"	45.978436
"622604"	338.123018	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+2Na"	45.978436
"1125016"	128.033818	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2Na"	45.978436
"1403072"	85.6916373333333	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H+2Na"	46.985712
"1437374"	257.101946	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H+HCOOH"	47.012746
"223792"	238.11144	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+3H2O+2H"	56.04448
"1514042"	271.15399	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+IsoProp+H"	61.06479
"417012"	241.065388	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+Na+K"	61.952376
"780199"	346.109988	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+Na+K"	61.952376
"1679449"	136.020788	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Na+K"	61.952376
"255399"	484.194168	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+ACN+Na"	64.015768
"1229200"	274.104968	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+ACN+Na"	64.015768
"1715900"	274.128493	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+NH4+HCOOH"	64.039293
"1184535"	93.0189513333333	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+3Na"	68.967654
"1658803"	279.083888	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Na+HCOOH"	68.994688
"166760"	497.09744	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+2K-H"	76.91904
"600122"	707.18664	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+2K-H"	76.91904
"1088646"	287.00824	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2K-H"	76.91904
"145465"	249.052358	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"2M+2K"	77.926316
"586118"	354.096958	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"3M+2K"	77.926316
"1072819"	144.007758	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2K"	77.926316
"1106029"	289.022792	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2K+H"	78.933592
"1337309"	289.110407	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+DMSO+H"	79.021207
"1014223"	293.149576	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2ACN+H"	83.060376
"1531255"	294.143208	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+IsoProp+Na+H"	84.054008
"998796"	147.078426	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+2ACN+2H"	84.067652
"1592206"	295.057828	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+K+HCOOH"	84.968628
"1416894"	325.089338	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+H+CF3COOH"	115.000138
"1155811"	167.591701	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+3ACN+2H"	125.094202
"1705362"	342.115885	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+NH4+CF3COOH"	132.026685
"1643200"	347.07128	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+Na+CF3COOH"	136.98208
"1584319"	363.04522	"C10709"	"Multifidol"	"C11H14O4"	"210.0892"	"M+K+CF3COOH"	152.95602
"804842"	305.1627	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M"	0
"978374"	286.14431	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-H2O-H"	-19.01839
"76458"	202.434524	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M-3H"	-3.021828
"514930"	304.155424	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M-3H"	-3.021828
"892730"	100.713624	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-3H"	-3.021828
"12397"	304.155424	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M-2H"	-2.014552
"451957"	456.736774	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M-2H"	-2.014552
"829395"	151.574074	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-2H"	-2.014552
"88661"	609.318124	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M-H"	-1.007276
"530048"	914.480824	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M-H"	-1.007276
"907119"	304.155424	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-H"	-1.007276
"57849"	626.344671	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M-2H+NH4"	16.019271
"499593"	931.507371	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M-2H+NH4"	16.019271
"874476"	321.181971	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-2H+NH4"	16.019271
"40191"	631.300066	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M-2H+Na"	20.974666
"474288"	936.462766	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M-2H+Na"	20.974666
"848923"	326.137366	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-2H+Na"	20.974666
"1619433"	326.137366	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Na-2H"	20.974666
"94743"	322.143763	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M-H+Cl"	33.962126
"534668"	474.725113	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M-H+Cl"	33.962126
"928305"	169.562413	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-H+Cl"	33.962126
"268684"	645.294802	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+Cl"	34.969402
"665488"	950.457502	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+Cl"	34.969402
"1272987"	340.132102	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Cl"	34.969402
"15738"	647.274006	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M-2H+K"	36.948606
"460009"	952.436706	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M-2H+K"	36.948606
"834530"	342.111306	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-2H+K"	36.948606
"1563486"	342.111306	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+K-2H"	36.948606
"950276"	350.160894	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-H+HCOOH"	44.998194
"365211"	655.323601	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+HCOOH-H"	44.998201
"352377"	669.339251	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+Hac-H"	59.013851
"1498656"	364.176551	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Hac-H"	59.013851
"963280"	372.142851	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-H+NaCOOH"	66.980151
"110725"	340.132102	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+2Cl"	69.938804
"551142"	492.713452	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+2Cl"	69.938804
"1021419"	187.550752	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2Cl"	69.938804
"1243044"	384.081585	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Br"	78.918885
"1309140"	386.137572	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Cl+HCOOH"	80.974872
"1323720"	408.119529	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Cl+NaCOOH"	102.956829
"922071"	418.148286	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M-H+CF3COOH"	112.985586
"1302305"	454.124964	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Cl+CF3COOH"	148.962264
"1379738"	270.150024	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H-2H2O"	-35.012676
"1386786"	288.16	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H-H2O"	-17.0027
"289755"	611.332676	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+H"	1.007276
"686187"	916.495376	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+H"	1.007276
"1362537"	306.169976	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H"	1.007276
"134332"	306.169976	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+2H"	2.014552
"575350"	458.751326	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+2H"	2.014552
"1045244"	153.588626	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2H"	2.014552
"216428"	204.449076	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+3H"	3.021828
"652707"	306.169976	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+3H"	3.021828
"1173748"	102.728176	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+3H"	3.021828
"431921"	628.359223	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+NH4"	18.033823
"792916"	933.521923	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+NH4"	18.033823
"1690343"	323.196523	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+NH4"	18.033823
"341903"	314.6832495	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+H+NH4"	19.041099
"737976"	467.2645995	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+H+NH4"	19.041099
"1489970"	162.1018995	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H+NH4"	19.041099
"405732"	633.314618	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+Na"	22.989218
"765634"	938.477318	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+Na"	22.989218
"1616892"	328.151918	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Na"	22.989218
"329360"	317.160947	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+H+Na"	23.996494
"722271"	469.742297	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+H+Na"	23.996494
"1475968"	164.579597	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H+Na"	23.996494
"1064350"	110.05549	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2H+Na"	25.00377
"1267129"	338.196186	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+CH3OH+H"	33.033486
"385705"	649.288558	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+K"	38.963158
"746700"	954.451258	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+K"	38.963158
"1547659"	344.125858	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+K"	38.963158
"304835"	325.147917	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+H+K"	39.970434
"704183"	477.729267	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+H+K"	39.970434
"1454366"	172.566567	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H+K"	39.970434
"241873"	652.359226	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+ACN+H"	42.033826
"1214581"	347.196526	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+ACN+H"	42.033826
"1199557"	174.101901	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+ACN+2H"	43.041102
"194615"	655.29656	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+2Na-H"	44.97116
"634175"	960.45926	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+2Na-H"	44.97116
"1140597"	350.13386	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2Na-H"	44.97116
"184614"	328.151918	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+2Na"	45.978436
"622716"	480.733268	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+2Na"	45.978436
"1124032"	175.570568	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2Na"	45.978436
"1410837"	117.382804	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H+2Na"	46.985712
"1436393"	352.175446	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H+HCOOH"	47.012746
"225360"	333.18494	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+3H2O+2H"	56.04448
"1514155"	366.22749	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+IsoProp+H"	61.06479
"414937"	336.138888	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+Na+K"	61.952376
"780309"	488.720238	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+Na+K"	61.952376
"1677372"	183.557538	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Na+K"	61.952376
"259882"	674.341168	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+ACN+Na"	64.015768
"1231497"	369.178468	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+ACN+Na"	64.015768
"1720382"	369.201993	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+NH4+HCOOH"	64.039293
"1184645"	124.710118	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+3Na"	68.967654
"1660006"	374.157388	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Na+HCOOH"	68.994688
"162494"	687.24444	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+2K-H"	76.91904
"609711"	992.40714	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+2K-H"	76.91904
"1089849"	382.08174	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2K-H"	76.91904
"144482"	344.125858	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"2M+2K"	77.926316
"584042"	496.707208	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"3M+2K"	77.926316
"1072929"	191.544508	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2K"	77.926316
"1103952"	384.096292	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2K+H"	78.933592
"1337056"	384.183907	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+DMSO+H"	79.021207
"1013240"	388.223076	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2ACN+H"	83.060376
"1534646"	389.216708	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+IsoProp+Na+H"	84.054008
"997813"	194.615176	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+2ACN+2H"	84.067652
"1593409"	390.131328	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+K+HCOOH"	84.968628
"1417977"	420.162838	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+H+CF3COOH"	115.000138
"1154827"	215.128451	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+3ACN+2H"	125.094202
"1708752"	437.189385	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+NH4+CF3COOH"	132.026685
"1643310"	442.14478	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+Na+CF3COOH"	136.98208
"1584429"	458.11872	"C10710"	"Lunacridine"	"C17H23NO4"	"305.1627"	"M+K+CF3COOH"	152.95602
"813700"	273.1365	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M"	0
"989616"	254.11811	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-H2O-H"	-19.01839
"78273"	181.083724	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M-3H"	-3.021828
"517229"	272.129224	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M-3H"	-3.021828
"894786"	90.038224	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-3H"	-3.021828
"14695"	272.129224	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M-2H"	-2.014552
"454257"	408.697474	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M-2H"	-2.014552
"831331"	135.560974	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-2H"	-2.014552
"91324"	545.265724	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M-H"	-1.007276
"530522"	818.402224	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M-H"	-1.007276
"907232"	272.129224	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-H"	-1.007276
"60148"	562.292271	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M-2H+NH4"	16.019271
"501043"	835.428771	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M-2H+NH4"	16.019271
"874589"	289.155771	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-2H+NH4"	16.019271
"42488"	567.247666	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M-2H+Na"	20.974666
"478771"	840.384166	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M-2H+Na"	20.974666
"851106"	294.111166	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-2H+Na"	20.974666
"1618936"	294.111166	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Na-2H"	20.974666
"95337"	290.117563	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M-H+Cl"	33.962126
"535384"	426.685813	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M-H+Cl"	33.962126
"928415"	153.549313	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-H+Cl"	33.962126
"269522"	581.242402	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+Cl"	34.969402
"665598"	854.378902	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+Cl"	34.969402
"1273502"	308.105902	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Cl"	34.969402
"15931"	583.221606	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M-2H+K"	36.948606
"460119"	856.358106	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M-2H+K"	36.948606
"834640"	310.085106	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-2H+K"	36.948606
"1566876"	310.085106	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+K-2H"	36.948606
"947103"	318.134694	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-H+HCOOH"	44.998194
"368597"	591.271201	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+HCOOH-H"	44.998201
"347502"	605.286851	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+Hac-H"	59.013851
"1498766"	332.150351	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Hac-H"	59.013851
"961933"	340.116651	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-H+NaCOOH"	66.980151
"110389"	308.105902	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+2Cl"	69.938804
"551373"	444.674152	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+2Cl"	69.938804
"1021507"	171.537652	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2Cl"	69.938804
"1243882"	352.055385	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Br"	78.918885
"1308886"	354.111372	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Cl+HCOOH"	80.974872
"1324924"	376.093329	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Cl+NaCOOH"	102.956829
"921817"	386.122086	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M-H+CF3COOH"	112.985586
"1302536"	422.098764	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Cl+CF3COOH"	148.962264
"1377781"	238.123824	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H-2H2O"	-35.012676
"1387986"	256.1338	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H-H2O"	-17.0027
"297521"	547.280276	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+H"	1.007276
"680464"	820.416776	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+H"	1.007276
"1359730"	274.143776	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H"	1.007276
"128609"	274.143776	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+2H"	2.014552
"575460"	410.712026	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+2H"	2.014552
"1051918"	137.575526	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2H"	2.014552
"215449"	183.098276	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+3H"	3.021828
"657196"	274.143776	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+3H"	3.021828
"1175321"	92.052776	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+3H"	3.021828
"435314"	564.306823	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+NH4"	18.033823
"795215"	837.443323	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+NH4"	18.033823
"1692642"	291.170323	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+NH4"	18.033823
"343106"	282.6570495	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+H+NH4"	19.041099
"737927"	419.2252995	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+H+NH4"	19.041099
"1491174"	146.0887995	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H+NH4"	19.041099
"407182"	569.262218	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+Na"	22.989218
"769272"	842.398718	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+Na"	22.989218
"1617492"	296.125718	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Na"	22.989218
"329315"	285.134747	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+H+Na"	23.996494
"722666"	421.702997	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+H+Na"	23.996494
"1476487"	148.566497	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H+Na"	23.996494
"1066290"	99.38009	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2H+Na"	25.00377
"1263959"	306.169986	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+CH3OH+H"	33.033486
"379256"	585.236158	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+K"	38.963158
"743532"	858.372658	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+K"	38.963158
"1543398"	312.099658	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+K"	38.963158
"303854"	293.121717	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+H+K"	39.970434
"699556"	429.689967	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+H+K"	39.970434
"1453383"	156.553467	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H+K"	39.970434
"244170"	588.306826	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+ACN+H"	42.033826
"1216879"	315.170326	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+ACN+H"	42.033826
"1199667"	158.088801	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+ACN+2H"	43.041102
"196908"	591.24416	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+2Na-H"	44.97116
"634284"	864.38066	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+2Na-H"	44.97116
"1139977"	318.10766	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2Na-H"	44.97116
"183993"	296.125718	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+2Na"	45.978436
"625013"	432.693968	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+2Na"	45.978436
"1125237"	159.557468	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2Na"	45.978436
"1408760"	106.707404	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H+2Na"	46.985712
"1437963"	320.149246	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H+HCOOH"	47.012746
"226202"	301.15874	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+3H2O+2H"	56.04448
"1515358"	334.20129	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+IsoProp+H"	61.06479
"418329"	304.112688	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+Na+K"	61.952376
"783706"	440.680938	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+Na+K"	61.952376
"1679673"	167.544438	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Na+K"	61.952376
"265459"	610.288768	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+ACN+Na"	64.015768
"1238169"	337.152268	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+ACN+Na"	64.015768
"1721587"	337.175793	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+NH4+HCOOH"	64.039293
"1189130"	114.034718	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+3Na"	68.967654
"1662670"	342.131188	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Na+HCOOH"	68.994688
"168073"	623.19204	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+2K-H"	76.91904
"605448"	896.32854	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+2K-H"	76.91904
"1089958"	350.05554	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2K-H"	76.91904
"145685"	312.099658	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"2M+2K"	77.926316
"587431"	448.667908	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"3M+2K"	77.926316
"1070000"	175.531408	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2K"	77.926316
"1102965"	352.070092	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2K+H"	78.933592
"1338257"	352.157707	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+DMSO+H"	79.021207
"1010067"	356.196876	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2ACN+H"	83.060376
"1526008"	357.190508	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+IsoProp+Na+H"	84.054008
"993550"	178.602076	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+2ACN+2H"	84.067652
"1590240"	358.105128	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+K+HCOOH"	84.968628
"1420274"	388.136638	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+H+CF3COOH"	115.000138
"1154937"	199.115351	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+3ACN+2H"	125.094202
"1697926"	405.163185	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+NH4+CF3COOH"	132.026685
"1646702"	410.11858	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+Na+CF3COOH"	136.98208
"1584539"	426.09252	"C10711"	"Lunacrine"	"C16H19NO3"	"273.1365"	"M+K+CF3COOH"	152.95602
"805062"	166.063	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M"	0
"978594"	147.04461	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"66836"	109.701390666667	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"518191"	165.055724	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"894044"	54.3470573333333	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"9337"	165.055724	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"453274"	248.087224	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"827794"	82.024224	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"91798"	331.118724	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"529536"	497.181724	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"909163"	165.055724	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"60623"	348.145271	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"499085"	514.208271	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"874698"	182.082271	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"44422"	353.100666	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"478881"	519.163666	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"853403"	187.037666	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1619775"	187.037666	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"94841"	183.044063	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"537928"	266.075563	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"930348"	100.012563	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"268418"	367.095402	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"665708"	533.158402	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1273612"	201.032402	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"16530"	369.074606	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"457434"	535.137606	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"834750"	203.011606	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1565893"	203.011606	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"950494"	211.061194	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"368707"	377.124201	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"348217"	391.139851	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1501428"	225.076851	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"962771"	233.043151	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"110584"	201.032402	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"551362"	284.063902	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1025144"	118.000902	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1247274"	244.981885	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1308633"	247.037872	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1325765"	269.019829	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"916822"	279.048586	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1296813"	315.025264	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1380080"	131.050324	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1395026"	149.0603	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"297510"	333.133276	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"683490"	499.196276	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1359839"	167.070276	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H"	1.007276
"131635"	167.070276	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"575570"	250.101776	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1052031"	84.038776	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"217746"	111.715942666667	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"656214"	167.070276	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1173245"	56.3616093333333	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"435425"	350.159823	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"795327"	516.222823	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1691659"	184.096823	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"338844"	175.5835495	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"732356"	258.6150495	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1491286"	92.5520495	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"407782"	355.115218	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"768775"	521.178218	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1617602"	189.052218	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"329430"	178.061247	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"722419"	261.092747	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1476756"	95.029747	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1067129"	63.6889233333333	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1259698"	199.096486	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"381554"	371.089158	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"743644"	537.152158	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1546789"	205.026158	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+K"	38.963158
"308339"	186.048217	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"706227"	269.079717	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1453492"	103.016717	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"247196"	374.159826	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1215896"	208.096826	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1204151"	104.552051	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"198116"	377.09716	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"637678"	543.16016	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1141179"	211.03416	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"185198"	189.052218	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"624758"	272.083718	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1125349"	106.020718	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1403046"	71.0162373333333	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1434432"	213.075746	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"231784"	194.08524	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1516564"	227.12779	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"422820"	197.039188	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"784790"	280.070688	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1679783"	114.007688	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"265573"	396.141768	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1239986"	230.078768	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1721698"	230.102293	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1191424"	78.3435513333333	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1662413"	235.057688	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"169277"	409.04504	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"604462"	575.10804	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1087884"	242.98204	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"142634"	205.026158	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"585355"	288.057658	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1069380"	121.994658	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1106358"	244.996592	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1339462"	245.084207	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1012367"	249.123376	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1529400"	250.117008	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"1000221"	125.065326	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1593630"	251.031628	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1420384"	281.063138	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1158327"	145.578601	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1699130"	298.089685	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1649364"	303.04508	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1584649"	319.01902	"C10712"	"Paeonol"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"807359"	309.1001	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M"	0
"979797"	290.08171	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-H2O-H"	-19.01839
"70226"	205.059457333333	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M-3H"	-3.021828
"510881"	308.092824	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M-3H"	-3.021828
"891962"	102.026090666667	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-3H"	-3.021828
"12363"	308.092824	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M-2H"	-2.014552
"454476"	462.642874	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M-2H"	-2.014552
"827903"	153.542774	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-2H"	-2.014552
"92641"	617.192924	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M-H"	-1.007276
"531836"	926.293024	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M-H"	-1.007276
"909271"	308.092824	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-H"	-1.007276
"61095"	634.219471	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M-2H+NH4"	16.019271
"501019"	943.319571	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M-2H+NH4"	16.019271
"873715"	325.119371	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-2H+NH4"	16.019271
"43075"	639.174866	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M-2H+Na"	20.974666
"475711"	948.274966	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M-2H+Na"	20.974666
"851326"	330.074766	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-2H+Na"	20.974666
"1618872"	330.074766	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Na-2H"	20.974666
"94422"	326.081163	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M-H+Cl"	33.962126
"535851"	480.631213	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M-H+Cl"	33.962126
"930456"	171.531113	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-H+Cl"	33.962126
"269377"	653.169602	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+Cl"	34.969402
"665818"	962.269702	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+Cl"	34.969402
"1273601"	344.069502	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Cl"	34.969402
"16764"	655.148806	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M-2H+K"	36.948606
"457058"	964.248906	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M-2H+K"	36.948606
"834860"	346.048706	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-2H+K"	36.948606
"1561628"	346.048706	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+K-2H"	36.948606
"952790"	354.098294	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-H+HCOOH"	44.998194
"368817"	663.198401	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+HCOOH-H"	44.998201
"350513"	677.214051	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+Hac-H"	59.013851
"1496799"	368.113951	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Hac-H"	59.013851
"962152"	376.080251	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-H+NaCOOH"	66.980151
"111423"	344.069502	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+2Cl"	69.938804
"550987"	498.619552	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+2Cl"	69.938804
"1025983"	189.519452	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2Cl"	69.938804
"1244467"	388.018985	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Br"	78.918885
"1309472"	390.074972	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Cl+HCOOH"	80.974872
"1328059"	412.056929	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Cl+NaCOOH"	102.956829
"918025"	422.085686	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M-H+CF3COOH"	112.985586
"1296923"	458.062364	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Cl+CF3COOH"	148.962264
"1376178"	274.087424	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H-2H2O"	-35.012676
"1394772"	292.0974	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H-H2O"	-17.0027
"290083"	619.207476	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+H"	1.007276
"681411"	928.307576	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+H"	1.007276
"1356669"	310.107376	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H"	1.007276
"131380"	310.107376	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+2H"	2.014552
"575316"	464.657426	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+2H"	2.014552
"1052390"	155.557326	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2H"	2.014552
"217856"	207.074009333333	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+3H"	3.021828
"657054"	310.107376	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+3H"	3.021828
"1172261"	104.040642666667	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+3H"	3.021828
"433348"	636.234023	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+NH4"	18.033823
"792156"	945.334123	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+NH4"	18.033823
"1689582"	327.133923	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+NH4"	18.033823
"337860"	318.6206495	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+H+NH4"	19.041099
"731373"	473.1706995	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+H+NH4"	19.041099
"1491398"	164.0705995	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H+NH4"	19.041099
"408216"	641.189418	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+Na"	22.989218
"769577"	950.289518	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+Na"	22.989218
"1617713"	332.089318	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Na"	22.989218
"329850"	321.098347	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+H+Na"	23.996494
"722364"	475.648397	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+H+Na"	23.996494
"1476911"	166.548297	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H+Na"	23.996494
"1067929"	111.367956666667	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2H+Na"	25.00377
"1259808"	342.133586	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+CH3OH+H"	33.033486
"389319"	657.163358	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+K"	38.963158
"745941"	966.263458	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+K"	38.963158
"1551273"	348.063258	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+K"	38.963158
"309542"	329.085317	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+H+K"	39.970434
"706340"	483.635367	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+H+K"	39.970434
"1460407"	174.535267	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H+K"	39.970434
"246576"	660.234026	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+ACN+H"	42.033826
"1219286"	351.133926	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+ACN+H"	42.033826
"1204261"	176.070601	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+ACN+2H"	43.041102
"196038"	663.17136	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+2Na-H"	44.97116
"636694"	972.27146	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+2Na-H"	44.97116
"1141288"	354.07126	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2Na-H"	44.97116
"184580"	332.089318	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+2Na"	45.978436
"623048"	486.639368	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+2Na"	45.978436
"1127648"	177.539268	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2Na"	45.978436
"1403521"	118.695270666667	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H+2Na"	46.985712
"1435999"	356.112846	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H+HCOOH"	47.012746
"228614"	337.12234	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+3H2O+2H"	56.04448
"1517768"	370.16489	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+IsoProp+H"	61.06479
"422925"	340.076288	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+Na+K"	61.952376
"785625"	494.626338	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+Na+K"	61.952376
"1680379"	185.526238	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Na+K"	61.952376
"266045"	682.215968	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+ACN+Na"	64.015768
"1240706"	373.115868	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+ACN+Na"	64.015768
"1726182"	373.139393	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+NH4+HCOOH"	64.039293
"1192993"	126.022584666667	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+3Na"	68.967654
"1664709"	378.094788	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Na+HCOOH"	68.994688
"170115"	695.11924	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+2K-H"	76.91904
"602751"	1004.21934	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+2K-H"	76.91904
"1087629"	386.01914	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2K-H"	76.91904
"146995"	348.063258	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"2M+2K"	77.926316
"585466"	502.613308	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"3M+2K"	77.926316
"1072164"	193.513208	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2K"	77.926316
"1106467"	388.033692	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2K+H"	78.933592
"1341758"	388.121307	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+DMSO+H"	79.021207
"1012476"	392.160476	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2ACN+H"	83.060376
"1528414"	393.154108	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+IsoProp+Na+H"	84.054008
"995957"	196.583876	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+2ACN+2H"	84.067652
"1592646"	394.068728	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+K+HCOOH"	84.968628
"1420493"	424.100238	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+H+CF3COOH"	115.000138
"1158438"	217.097151	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+3ACN+2H"	125.094202
"1702521"	441.126785	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+NH4+CF3COOH"	132.026685
"1649109"	446.08218	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+Na+CF3COOH"	136.98208
"1584759"	462.05612	"C10713"	"Lunamarine"	"C18H15NO4"	"309.1001"	"M+K+CF3COOH"	152.95602
"805282"	243.0532	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M"	0
"984282"	224.03481	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-H2O-H"	-19.01839
"69244"	161.028190666667	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M-3H"	-3.021828
"512085"	242.045924	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M-3H"	-3.021828
"887698"	80.0104573333333	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-3H"	-3.021828
"10287"	242.045924	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M-2H"	-2.014552
"453130"	363.572524	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M-2H"	-2.014552
"824733"	120.519324	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-2H"	-2.014552
"92019"	485.099124	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M-H"	-1.007276
"527569"	728.152324	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M-H"	-1.007276
"908652"	242.045924	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-H"	-1.007276
"61206"	502.125671	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M-2H+NH4"	16.019271
"500765"	745.178871	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M-2H+NH4"	16.019271
"872732"	259.072471	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-2H+NH4"	16.019271
"40633"	507.081066	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M-2H+Na"	20.974666
"475821"	750.134266	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M-2H+Na"	20.974666
"850343"	264.027866	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-2H+Na"	20.974666
"1618544"	264.027866	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Na-2H"	20.974666
"94575"	260.034263	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M-H+Cl"	33.962126
"534908"	381.560863	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M-H+Cl"	33.962126
"928380"	138.507663	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-H+Cl"	33.962126
"270216"	521.075802	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+Cl"	34.969402
"664106"	764.129002	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+Cl"	34.969402
"1273590"	278.022602	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Cl"	34.969402
"16874"	523.055006	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M-2H+K"	36.948606
"457168"	766.108206	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M-2H+K"	36.948606
"834970"	280.001806	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-2H+K"	36.948606
"1561738"	280.001806	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+K-2H"	36.948606
"951807"	288.051394	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-H+HCOOH"	44.998194
"368927"	531.104601	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+HCOOH-H"	44.998201
"350623"	545.120251	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+Hac-H"	59.013851
"1500552"	302.067051	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Hac-H"	59.013851
"961898"	310.033351	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-H+NaCOOH"	66.980151
"111530"	278.022602	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+2Cl"	69.938804
"550137"	399.549202	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+2Cl"	69.938804
"1025000"	156.496002	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2Cl"	69.938804
"1242391"	321.972085	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Br"	78.918885
"1312861"	324.028072	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Cl+HCOOH"	80.974872
"1327076"	346.010029	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Cl+NaCOOH"	102.956829
"917405"	356.038786	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M-H+CF3COOH"	112.985586
"1298126"	392.015464	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Cl+CF3COOH"	148.962264
"1377380"	208.040524	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H-2H2O"	-35.012676
"1395246"	226.0505	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H-H2O"	-17.0027
"290193"	487.113676	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+H"	1.007276
"678241"	730.166876	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+H"	1.007276
"1353494"	244.060476	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H"	1.007276
"126507"	244.060476	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+2H"	2.014552
"575790"	365.587076	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+2H"	2.014552
"1052380"	122.533876	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2H"	2.014552
"219862"	163.042742666667	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+3H"	3.021828
"657528"	244.060476	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+3H"	3.021828
"1171278"	82.0250093333333	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+3H"	3.021828
"433458"	504.140223	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+NH4"	18.033823
"793361"	747.193423	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+NH4"	18.033823
"1695770"	261.087023	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+NH4"	18.033823
"342347"	252.5737495	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+H+NH4"	19.041099
"730391"	374.1003495	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+H+NH4"	19.041099
"1490415"	131.0471495	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H+NH4"	19.041099
"407151"	509.095618	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+Na"	22.989218
"768269"	752.148818	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+Na"	22.989218
"1616973"	266.042418	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Na"	22.989218
"329197"	255.051447	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+H+Na"	23.996494
"722593"	376.578047	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+H+Na"	23.996494
"1476410"	133.524847	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H+Na"	23.996494
"1068076"	89.3523233333333	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2H+Na"	25.00377
"1259917"	276.086686	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+CH3OH+H"	33.033486
"391980"	525.069558	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+K"	38.963158
"739732"	768.122758	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+K"	38.963158
"1550290"	282.016358	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+K"	38.963158
"311839"	263.038417	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+H+K"	39.970434
"705354"	384.565017	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+H+K"	39.970434
"1458816"	141.511817	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H+K"	39.970434
"246688"	528.140226	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+ACN+H"	42.033826
"1221583"	285.087026	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+ACN+H"	42.033826
"1206558"	143.047151	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+ACN+2H"	43.041102
"198336"	531.07756	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+2Na-H"	44.97116
"636073"	774.13076	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+2Na-H"	44.97116
"1141399"	288.02436	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2Na-H"	44.97116
"180319"	266.042418	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+2Na"	45.978436
"625345"	387.569018	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+2Na"	45.978436
"1125571"	144.515818	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2Na"	45.978436
"1401444"	96.6796373333333	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H+2Na"	46.985712
"1435745"	290.065946	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H+HCOOH"	47.012746
"227631"	271.07544	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+3H2O+2H"	56.04448
"1517878"	304.11799	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+IsoProp+H"	61.06479
"421942"	274.029388	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+Na+K"	61.952376
"784652"	395.555988	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+Na+K"	61.952376
"1680702"	152.502788	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Na+K"	61.952376
"266400"	550.122168	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+ACN+Na"	64.015768
"1240814"	307.068968	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+ACN+Na"	64.015768
"1725199"	307.092493	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+NH4+HCOOH"	64.039293
"1192739"	104.006951333333	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+3Na"	68.967654
"1663730"	312.047888	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Na+HCOOH"	68.994688
"170591"	563.02544	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+2K-H"	76.91904
"603591"	806.07864	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+2K-H"	76.91904
"1086283"	319.97224	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2K-H"	76.91904
"146012"	282.016358	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"2M+2K"	77.926316
"584482"	403.542958	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"3M+2K"	77.926316
"1074459"	160.489758	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2K"	77.926316
"1106577"	321.986792	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2K+H"	78.933592
"1340773"	322.074407	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+DMSO+H"	79.021207
"1012585"	326.113576	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2ACN+H"	83.060376
"1528526"	327.107208	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+IsoProp+Na+H"	84.054008
"997158"	163.560426	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+2ACN+2H"	84.067652
"1591662"	328.021828	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+K+HCOOH"	84.968628
"1421697"	358.053338	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+H+CF3COOH"	115.000138
"1160735"	184.073701	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+3ACN+2H"	125.094202
"1702631"	375.079885	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+NH4+CF3COOH"	132.026685
"1647033"	380.03528	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+Na+CF3COOH"	136.98208
"1584869"	396.00922	"C10714"	"Maculine;13-Dioxolo(45-g)furo(23-b)quinoline 9-methoxy-"	"C13H9NO4"	"243.0532"	"M+K+CF3COOH"	152.95602
"808672"	460.1581	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M"	0
"984392"	441.13971	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-H2O-H"	-19.01839
"73727"	305.764790666667	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M-3H"	-3.021828
"514381"	459.150824	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M-3H"	-3.021828
"884528"	152.378757333333	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-3H"	-3.021828
"9668"	459.150824	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M-2H"	-2.014552
"453240"	689.229874	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M-2H"	-2.014552
"829218"	229.071774	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-2H"	-2.014552
"90306"	919.308924	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M-H"	-1.007276
"531326"	1379.467024	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M-H"	-1.007276
"909982"	459.150824	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-H"	-1.007276
"61195"	936.335471	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M-2H+NH4"	16.019271
"499416"	1396.493571	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M-2H+NH4"	16.019271
"873935"	476.177371	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-2H+NH4"	16.019271
"41835"	941.290866	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M-2H+Na"	20.974666
"479212"	1401.448966	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M-2H+Na"	20.974666
"853733"	481.132766	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-2H+Na"	20.974666
"1624359"	481.132766	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Na-2H"	20.974666
"100888"	477.139163	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M-H+Cl"	33.962126
"538260"	707.218213	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M-H+Cl"	33.962126
"929586"	247.060113	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-H+Cl"	33.962126
"268869"	955.285602	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+Cl"	34.969402
"664945"	1415.443702	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+Cl"	34.969402
"1276618"	495.127502	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Cl"	34.969402
"16376"	957.264806	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M-2H+K"	36.948606
"457276"	1417.422906	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M-2H+K"	36.948606
"838360"	497.106706	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-2H+K"	36.948606
"1562943"	497.106706	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+K-2H"	36.948606
"954105"	505.156294	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-H+HCOOH"	44.998194
"366852"	965.314401	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+HCOOH-H"	44.998201
"352922"	979.330051	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+Hac-H"	59.013851
"1497381"	519.171951	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Hac-H"	59.013851
"960913"	527.138251	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-H+NaCOOH"	66.980151
"111640"	495.127502	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+2Cl"	69.938804
"551564"	725.206552	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+2Cl"	69.938804
"1021946"	265.048452	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2Cl"	69.938804
"1242498"	539.076985	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Br"	78.918885
"1310783"	541.132972	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Cl+HCOOH"	80.974872
"1323175"	563.114929	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Cl+NaCOOH"	102.956829
"916056"	573.143686	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M-H+CF3COOH"	112.985586
"1292032"	609.120364	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Cl+CF3COOH"	148.962264
"1370564"	425.145424	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H-2H2O"	-35.012676
"1386606"	443.1554	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H-H2O"	-17.0027
"284469"	921.323476	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+H"	1.007276
"676159"	1381.481576	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+H"	1.007276
"1354693"	461.165376	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H"	1.007276
"126492"	461.165376	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+2H"	2.014552
"578454"	691.244426	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+2H"	2.014552
"1052489"	231.086326	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2H"	2.014552
"219415"	307.779342666667	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+3H"	3.021828
"656545"	461.165376	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+3H"	3.021828
"1174668"	154.393309333333	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+3H"	3.021828
"435755"	938.350023	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+NH4"	18.033823
"796751"	1398.508123	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+NH4"	18.033823
"1695272"	478.191923	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+NH4"	18.033823
"344039"	469.6786495	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+H+NH4"	19.041099
"735971"	699.7576995	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+H+NH4"	19.041099
"1490161"	239.5995995	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H+NH4"	19.041099
"407627"	943.305418	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+Na"	22.989218
"768381"	1403.463518	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+Na"	22.989218
"1615752"	483.147318	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Na"	22.989218
"327612"	472.156347	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+H+Na"	23.996494
"720885"	702.235397	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+H+Na"	23.996494
"1475554"	242.077297	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H+Na"	23.996494
"1067098"	161.720623333333	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2H+Na"	25.00377
"1263307"	493.191586	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+CH3OH+H"	33.033486
"388447"	959.279358	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+K"	38.963158
"740693"	1419.437458	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+K"	38.963158
"1550400"	499.121258	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+K"	38.963158
"311949"	480.143317	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+H+K"	39.970434
"702184"	710.222367	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+H+K"	39.970434
"1459654"	250.064267	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H+K"	39.970434
"245704"	962.350026	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+ACN+H"	42.033826
"1215131"	502.191926	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+ACN+H"	42.033826
"1204481"	251.599601	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+ACN+2H"	43.041102
"195166"	965.28736	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+2Na-H"	44.97116
"638004"	1425.44546	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+2Na-H"	44.97116
"1141510"	505.12926	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2Na-H"	44.97116
"183707"	483.147318	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+2Na"	45.978436
"624728"	713.226368	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+2Na"	45.978436
"1126775"	253.068268	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2Na"	45.978436
"1402647"	169.047937333333	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H+2Na"	46.985712
"1439865"	507.170846	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H+HCOOH"	47.012746
"227741"	488.18034	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+3H2O+2H"	56.04448
"1520176"	521.22289	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+IsoProp+H"	61.06479
"421931"	491.134288	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+Na+K"	61.952376
"785242"	721.213338	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+Na+K"	61.952376
"1680728"	261.055238	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Na+K"	61.952376
"265913"	984.331968	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+ACN+Na"	64.015768
"1240933"	524.173868	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+ACN+Na"	64.015768
"1726775"	524.197393	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+NH4+HCOOH"	64.039293
"1190301"	176.375251333333	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+3Na"	68.967654
"1662748"	529.152788	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Na+HCOOH"	68.994688
"168880"	997.23524	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+2K-H"	76.91904
"602608"	1457.39334	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+2K-H"	76.91904
"1089310"	537.07714	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2K-H"	76.91904
"146126"	499.121258	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"2M+2K"	77.926316
"587874"	729.200308	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"3M+2K"	77.926316
"1075663"	269.042208	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2K"	77.926316
"1105596"	539.091692	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2K+H"	78.933592
"1340885"	539.179307	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+DMSO+H"	79.021207
"1012696"	543.218476	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2ACN+H"	83.060376
"1528634"	544.212108	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+IsoProp+Na+H"	84.054008
"995085"	272.112876	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+2ACN+2H"	84.067652
"1595052"	545.126728	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+K+HCOOH"	84.968628
"1421807"	575.158238	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+H+CF3COOH"	115.000138
"1159752"	292.626151	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+3ACN+2H"	125.094202
"1702741"	592.184785	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+NH4+CF3COOH"	132.026685
"1647142"	597.14018	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+Na+CF3COOH"	136.98208
"1584979"	613.11412	"C10715"	"Paeonolide"	"C20H28O12"	"460.1581"	"M+K+CF3COOH"	152.95602
"810970"	259.0845	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M"	0
"985596"	240.06611	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H2O-H"	-19.01839
"76025"	171.715724	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-3H"	-3.021828
"512305"	258.077224	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-3H"	-3.021828
"885732"	85.354224	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-3H"	-3.021828
"7588"	258.077224	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H"	-2.014552
"453714"	387.619474	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H"	-2.014552
"828964"	128.534974	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H"	-2.014552
"92729"	517.161724	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-H"	-1.007276
"533258"	776.246224	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-H"	-1.007276
"909237"	258.077224	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H"	-1.007276
"60695"	534.188271	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H+NH4"	16.019271
"499891"	793.272771	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H+NH4"	16.019271
"875138"	275.103771	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H+NH4"	16.019271
"41945"	539.143666	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H+Na"	20.974666
"479322"	798.228166	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H+Na"	20.974666
"850563"	280.059166	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H+Na"	20.974666
"1624469"	280.059166	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na-2H"	20.974666
"97718"	276.065563	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-H+Cl"	33.962126
"537640"	405.607813	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-H+Cl"	33.962126
"929696"	146.523313	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+Cl"	33.962126
"269709"	553.138402	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Cl"	34.969402
"661162"	812.222902	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+Cl"	34.969402
"1274052"	294.053902	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl"	34.969402
"17824"	555.117606	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M-2H+K"	36.948606
"456169"	814.202106	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M-2H+K"	36.948606
"835554"	296.033106	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-2H+K"	36.948606
"1561959"	296.033106	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K-2H"	36.948606
"949841"	304.082694	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+HCOOH"	44.998194
"365869"	563.167201	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+HCOOH-H"	44.998201
"354125"	577.182851	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Hac-H"	59.013851
"1501864"	318.098351	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Hac-H"	59.013851
"961385"	326.064651	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+NaCOOH"	66.980151
"111752"	294.053902	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2Cl"	69.938804
"551673"	423.596152	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2Cl"	69.938804
"1021890"	164.511652	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2Cl"	69.938804
"1242729"	338.003385	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Br"	78.918885
"1310893"	340.059372	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl+HCOOH"	80.974872
"1322921"	362.041329	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl+NaCOOH"	102.956829
"916166"	372.070086	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M-H+CF3COOH"	112.985586
"1292143"	408.046764	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Cl+CF3COOH"	148.962264
"1367758"	224.071824	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H-2H2O"	-35.012676
"1387080"	242.0818	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H-H2O"	-17.0027
"284579"	519.176276	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H"	1.007276
"675751"	778.260776	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H"	1.007276
"1352616"	260.091776	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H"	1.007276
"126602"	260.091776	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2H"	2.014552
"572730"	389.634026	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2H"	2.014552
"1052749"	130.549526	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2H"	2.014552
"219905"	173.730276	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+3H"	3.021828
"658600"	260.091776	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+3H"	3.021828
"1173685"	87.368776	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+3H"	3.021828
"433677"	536.202823	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+NH4"	18.033823
"796861"	795.287323	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+NH4"	18.033823
"1694287"	277.118323	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+NH4"	18.033823
"343296"	268.6050495	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H+NH4"	19.041099
"733893"	398.1472995	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H+NH4"	19.041099
"1489908"	139.0627995	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+NH4"	19.041099
"406763"	541.158218	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Na"	22.989218
"769339"	800.242718	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+Na"	22.989218
"1616588"	282.073718	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na"	22.989218
"328694"	271.082747	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H+Na"	23.996494
"722327"	400.624997	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H+Na"	23.996494
"1476753"	141.540497	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+Na"	23.996494
"1067818"	94.69609	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2H+Na"	25.00377
"1263418"	292.117986	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+CH3OH+H"	33.033486
"387463"	557.132158	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+K"	38.963158
"741166"	816.216658	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+K"	38.963158
"1548322"	298.047658	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K"	38.963158
"312061"	279.069717	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+H+K"	39.970434
"706186"	408.611967	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+H+K"	39.970434
"1457211"	149.527467	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+K"	39.970434
"240347"	560.202826	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+ACN+H"	42.033826
"1221803"	301.118326	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+ACN+H"	42.033826
"1200218"	151.062801	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+ACN+2H"	43.041102
"199286"	563.14016	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2Na-H"	44.97116
"634836"	822.22466	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2Na-H"	44.97116
"1139797"	304.05566	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2Na-H"	44.97116
"179081"	282.073718	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2Na"	45.978436
"624838"	411.615968	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2Na"	45.978436
"1126157"	152.531468	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2Na"	45.978436
"1403851"	102.023404	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+2Na"	46.985712
"1439611"	306.097246	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+HCOOH"	47.012746
"230038"	287.10674	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+3H2O+2H"	56.04448
"1520287"	320.14929	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+IsoProp+H"	61.06479
"423258"	290.060688	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+Na+K"	61.952376
"785230"	419.602938	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+Na+K"	61.952376
"1680719"	160.518438	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na+K"	61.952376
"266024"	582.184768	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+ACN+Na"	64.015768
"1240312"	323.100268	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+ACN+Na"	64.015768
"1726886"	323.123793	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+NH4+HCOOH"	64.039293
"1192484"	109.350718	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+3Na"	68.967654
"1664682"	328.079188	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na+HCOOH"	68.994688
"170812"	595.08804	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2K-H"	76.91904
"604540"	854.17254	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2K-H"	76.91904
"1094517"	336.00354	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2K-H"	76.91904
"146236"	298.047658	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"2M+2K"	77.926316
"590170"	427.589908	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"3M+2K"	77.926316
"1072494"	168.505408	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2K"	77.926316
"1109714"	338.018092	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2K+H"	78.933592
"1342089"	338.105707	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+DMSO+H"	79.021207
"1011712"	342.144876	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2ACN+H"	83.060376
"1530928"	343.138508	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+IsoProp+Na+H"	84.054008
"1001388"	171.576076	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+2ACN+2H"	84.067652
"1591881"	344.053128	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K+HCOOH"	84.968628
"1419728"	374.084638	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+H+CF3COOH"	115.000138
"1152207"	192.089351	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+3ACN+2H"	125.094202
"1702851"	391.111185	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+NH4+CF3COOH"	132.026685
"1648345"	396.06658	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+Na+CF3COOH"	136.98208
"1585089"	412.04052	"C10716"	"Maculosidine;Furo(23-b)quinoline 468-trimethoxy-"	"C14H13NO4"	"259.0845"	"M+K+CF3COOH"	152.95602
"805612"	328.1158	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M"	0
"984612"	309.09741	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-H2O-H"	-19.01839
"76135"	217.736590666667	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M-3H"	-3.021828
"515695"	327.108524	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M-3H"	-3.021828
"886935"	108.364657333333	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-3H"	-3.021828
"10976"	327.108524	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M-2H"	-2.014552
"449448"	491.166424	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M-2H"	-2.014552
"828346"	163.050624	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-2H"	-2.014552
"93205"	655.224324	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M-H"	-1.007276
"530816"	983.340124	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M-H"	-1.007276
"908619"	327.108524	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-H"	-1.007276
"59956"	672.250871	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M-2H+NH4"	16.019271
"499637"	1000.366671	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M-2H+NH4"	16.019271
"874155"	344.135071	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-2H+NH4"	16.019271
"42055"	677.206266	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M-2H+Na"	20.974666
"480526"	1005.322066	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M-2H+Na"	20.974666
"851766"	349.090466	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-2H+Na"	20.974666
"1624579"	349.090466	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Na-2H"	20.974666
"98921"	345.096863	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M-H+Cl"	33.962126
"537386"	509.154763	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M-H+Cl"	33.962126
"934179"	181.038963	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-H+Cl"	33.962126
"270185"	691.201002	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+Cl"	34.969402
"662245"	1019.316802	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+Cl"	34.969402
"1274647"	363.085202	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Cl"	34.969402
"18054"	693.180206	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M-2H+K"	36.948606
"458226"	1021.296006	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M-2H+K"	36.948606
"836028"	365.064406	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-2H+K"	36.948606
"1562069"	365.064406	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+K-2H"	36.948606
"949951"	373.113994	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-H+HCOOH"	44.998194
"365979"	701.229801	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+HCOOH-H"	44.998201
"354235"	715.245451	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+Hac-H"	59.013851
"1497964"	387.129651	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Hac-H"	59.013851
"962952"	395.095951	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-H+NaCOOH"	66.980151
"112226"	363.085202	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+2Cl"	69.938804
"551906"	527.143102	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+2Cl"	69.938804
"1023625"	199.027302	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2Cl"	69.938804
"1245633"	407.034685	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Br"	78.918885
"1312096"	409.090672	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Cl+HCOOH"	80.974872
"1326310"	431.072629	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Cl+NaCOOH"	102.956829
"917369"	441.101386	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M-H+CF3COOH"	112.985586
"1294075"	477.078064	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Cl+CF3COOH"	148.962264
"1373700"	293.103124	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H-2H2O"	-35.012676
"1387918"	311.1131	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H-H2O"	-17.0027
"285417"	657.238876	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+H"	1.007276
"677107"	985.354676	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+H"	1.007276
"1355279"	329.123076	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H"	1.007276
"128171"	329.123076	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+2H"	2.014552
"567735"	493.180976	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+2H"	2.014552
"1048203"	165.065176	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2H"	2.014552
"213916"	219.751142666667	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+3H"	3.021828
"652382"	329.123076	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+3H"	3.021828
"1170508"	110.379209333333	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+3H"	3.021828
"433781"	674.265423	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+NH4"	18.033823
"794782"	1002.381223	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+NH4"	18.033823
"1691112"	346.149623	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+NH4"	18.033823
"339391"	337.6363495	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+H+NH4"	19.041099
"734003"	501.6942495	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+H+NH4"	19.041099
"1490747"	173.5784495	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H+NH4"	19.041099
"406144"	679.220818	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+Na"	22.989218
"769570"	1007.336618	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+Na"	22.989218
"1616699"	351.105018	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Na"	22.989218
"329653"	340.114047	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+H+Na"	23.996494
"722645"	504.171947	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+H+Na"	23.996494
"1476908"	176.056147	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H+Na"	23.996494
"1068046"	117.706523333333	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2H+Na"	25.00377
"1268995"	361.149286	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+CH3OH+H"	33.033486
"389032"	695.194758	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+K"	38.963158
"743098"	1023.310558	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+K"	38.963158
"1550620"	367.078958	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+K"	38.963158
"311807"	348.101017	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+H+K"	39.970434
"706781"	512.158917	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+H+K"	39.970434
"1455134"	184.043117	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H+K"	39.970434
"241551"	698.265426	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+ACN+H"	42.033826
"1219726"	370.149626	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+ACN+H"	42.033826
"1201420"	185.578451	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+ACN+2H"	43.041102
"195386"	701.20276	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+2Na-H"	44.97116
"634946"	1029.31856	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+2Na-H"	44.97116
"1140638"	373.08696	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2Na-H"	44.97116
"179555"	351.105018	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+2Na"	45.978436
"624948"	515.162918	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+2Na"	45.978436
"1130642"	187.047118	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2Na"	45.978436
"1402865"	125.033837333333	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H+2Na"	46.985712
"1440085"	375.128546	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H+HCOOH"	47.012746
"229055"	356.13804	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+3H2O+2H"	56.04448
"1521125"	389.18059	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+IsoProp+H"	61.06479
"421179"	359.091988	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+Na+K"	61.952376
"785099"	523.149888	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+Na+K"	61.952376
"1680581"	195.034088	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Na+K"	61.952376
"266253"	720.247368	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+ACN+Na"	64.015768
"1240662"	392.131568	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+ACN+Na"	64.015768
"1727360"	392.155093	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+NH4+HCOOH"	64.039293
"1193078"	132.361151333333	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+3Na"	68.967654
"1663333"	397.110488	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Na+HCOOH"	68.994688
"170560"	733.15064	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+2K-H"	76.91904
"605014"	1061.26644	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+2K-H"	76.91904
"1094992"	405.03484	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2K-H"	76.91904
"146346"	367.078958	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"2M+2K"	77.926316
"591008"	531.136858	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"3M+2K"	77.926316
"1072604"	203.021058	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2K"	77.926316
"1108001"	407.049392	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2K+H"	78.933592
"1341107"	407.137007	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+DMSO+H"	79.021207
"1014008"	411.176176	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2ACN+H"	83.060376
"1529947"	412.169808	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+IsoProp+Na+H"	84.054008
"996395"	206.091726	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+2ACN+2H"	84.067652
"1593085"	413.084428	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+K+HCOOH"	84.968628
"1422027"	443.115938	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+H+CF3COOH"	115.000138
"1158878"	226.605001	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+3ACN+2H"	125.094202
"1701868"	460.142485	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+NH4+CF3COOH"	132.026685
"1648455"	465.09788	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+Na+CF3COOH"	136.98208
"1585199"	481.07182	"C10717"	"Paeonoside"	"C15H20O8"	"328.1158"	"M+K+CF3COOH"	152.95602
"805722"	331.1056	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M"	0
"984722"	312.08721	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-H2O-H"	-19.01839
"74059"	219.729790666667	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M-3H"	-3.021828
"515805"	330.098324	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M-3H"	-3.021828
"887045"	109.361257333333	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-3H"	-3.021828
"7806"	330.098324	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M-2H"	-2.014552
"449558"	495.651124	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M-2H"	-2.014552
"826266"	164.545524	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-2H"	-2.014552
"93072"	661.203924	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M-H"	-1.007276
"530926"	992.309524	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M-H"	-1.007276
"909093"	330.098324	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-H"	-1.007276
"59458"	678.230471	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M-2H+NH4"	16.019271
"499381"	1009.336071	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M-2H+NH4"	16.019271
"876451"	347.124871	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-2H+NH4"	16.019271
"41071"	683.185866	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M-2H+Na"	20.974666
"481729"	1014.291466	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M-2H+Na"	20.974666
"852969"	352.080266	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-2H+Na"	20.974666
"1624689"	352.080266	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Na-2H"	20.974666
"100124"	348.086663	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M-H+Cl"	33.962126
"537496"	513.639463	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M-H+Cl"	33.962126
"932103"	182.533863	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-H+Cl"	33.962126
"269567"	697.180602	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+Cl"	34.969402
"661991"	1028.286202	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+Cl"	34.969402
"1274029"	366.075002	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Cl"	34.969402
"16826"	699.159806	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M-2H+K"	36.948606
"460158"	1030.265406	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M-2H+K"	36.948606
"838689"	368.054206	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-2H+K"	36.948606
"1562179"	368.054206	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+K-2H"	36.948606
"947874"	376.103794	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-H+HCOOH"	44.998194
"367181"	707.209401	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+HCOOH-H"	44.998201
"352157"	721.225051	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+Hac-H"	59.013851
"1500988"	390.119451	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Hac-H"	59.013851
"963427"	398.085751	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-H+NaCOOH"	66.980151
"111609"	366.075002	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+2Cl"	69.938804
"551170"	531.627802	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+2Cl"	69.938804
"1025072"	200.522202	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2Cl"	69.938804
"1243557"	410.024485	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Br"	78.918885
"1312206"	412.080472	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Cl+HCOOH"	80.974872
"1323869"	434.062429	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Cl+NaCOOH"	102.956829
"918572"	444.091186	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M-H+CF3COOH"	112.985586
"1293092"	480.067864	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Cl+CF3COOH"	148.962264
"1376726"	296.092924	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H-2H2O"	-35.012676
"1386936"	314.1029	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H-H2O"	-17.0027
"286256"	663.218476	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+H"	1.007276
"677946"	994.324076	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+H"	1.007276
"1355025"	332.112876	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H"	1.007276
"127067"	332.112876	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+2H"	2.014552
"568574"	497.665676	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+2H"	2.014552
"1047219"	166.560076	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2H"	2.014552
"215118"	221.744342666667	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+3H"	3.021828
"649210"	332.112876	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+3H"	3.021828
"1167332"	111.375809333333	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+3H"	3.021828
"429510"	680.245023	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+NH4"	18.033823
"790505"	1011.350623	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+NH4"	18.033823
"1691222"	349.139423	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+NH4"	18.033823
"339501"	340.6261495	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+H+NH4"	19.041099
"735206"	506.1789495	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+H+NH4"	19.041099
"1489028"	175.0733495	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H+NH4"	19.041099
"403337"	685.200418	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+Na"	22.989218
"766156"	1016.306018	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+Na"	22.989218
"1614616"	354.094818	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Na"	22.989218
"327933"	343.103847	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+H+Na"	23.996494
"721693"	508.656647	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+H+Na"	23.996494
"1476526"	177.551047	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H+Na"	23.996494
"1063044"	118.703123333333	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2H+Na"	25.00377
"1265823"	364.139086	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+CH3OH+H"	33.033486
"383307"	701.174358	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+K"	38.963158
"740777"	1032.279958	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+K"	38.963158
"1543074"	370.068758	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+K"	38.963158
"308998"	351.090817	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+H+K"	39.970434
"700327"	516.643617	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+H+K"	39.970434
"1456337"	185.538017	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H+K"	39.970434
"238380"	704.245026	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+ACN+H"	42.033826
"1215463"	373.139426	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+ACN+H"	42.033826
"1200439"	187.073351	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+ACN+2H"	43.041102
"194402"	707.18236	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+2Na-H"	44.97116
"633960"	1038.28796	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+2Na-H"	44.97116
"1138561"	376.07676	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2Na-H"	44.97116
"175292"	354.094818	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+2Na"	45.978436
"622506"	519.647618	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+2Na"	45.978436
"1128563"	188.542018	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2Na"	45.978436
"1404068"	126.030437333333	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H+2Na"	46.985712
"1438373"	378.118346	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H+HCOOH"	47.012746
"228070"	359.12784	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+3H2O+2H"	56.04448
"1519411"	392.17039	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+IsoProp+H"	61.06479
"421289"	362.081788	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+Na+K"	61.952376
"785092"	527.634588	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+Na+K"	61.952376
"1680934"	196.528988	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Na+K"	61.952376
"265999"	726.226968	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+ACN+Na"	64.015768
"1240403"	395.121368	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+ACN+Na"	64.015768
"1726374"	395.144893	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+NH4+HCOOH"	64.039293
"1193550"	133.357751333333	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+3Na"	68.967654
"1663808"	400.100288	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Na+HCOOH"	68.994688
"171399"	739.13024	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+2K-H"	76.91904
"602938"	1070.23584	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+2K-H"	76.91904
"1091824"	408.02464	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2K-H"	76.91904
"145362"	370.068758	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"2M+2K"	77.926316
"589296"	535.621558	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"3M+2K"	77.926316
"1072714"	204.515958	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2K"	77.926316
"1107017"	410.039192	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2K+H"	78.933592
"1341214"	410.126807	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+DMSO+H"	79.021207
"1010840"	414.165976	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2ACN+H"	83.060376
"1530059"	415.159608	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+IsoProp+Na+H"	84.054008
"997599"	207.586626	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+2ACN+2H"	84.067652
"1594289"	416.074228	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+K+HCOOH"	84.968628
"1422137"	446.105738	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+H+CF3COOH"	115.000138
"1157895"	228.099901	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+3ACN+2H"	125.094202
"1701978"	463.132285	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+NH4+CF3COOH"	132.026685
"1647472"	468.08768	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+Na+CF3COOH"	136.98208
"1585309"	484.06162	"C10718"	"Maculosine"	"C17H17NO6"	"331.1056"	"M+K+CF3COOH"	152.95602
"812393"	302.1518	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M"	0
"984832"	283.13341	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-H2O-H"	-19.01839
"75262"	200.427257333333	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M-3H"	-3.021828
"517499"	301.144524	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M-3H"	-3.021828
"892623"	99.7099906666667	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-3H"	-3.021828
"9009"	301.144524	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M-2H"	-2.014552
"450760"	452.220424	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M-2H"	-2.014552
"828198"	150.068624	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-2H"	-2.014552
"93302"	603.296324	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M-H"	-1.007276
"531037"	905.448124	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M-H"	-1.007276
"910298"	301.144524	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-H"	-1.007276
"61028"	620.322871	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M-2H+NH4"	16.019271
"498762"	922.474671	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M-2H+NH4"	16.019271
"876561"	318.171071	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-2H+NH4"	16.019271
"42274"	625.278266	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M-2H+Na"	20.974666
"481839"	927.430066	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M-2H+Na"	20.974666
"851986"	323.126466	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-2H+Na"	20.974666
"1621519"	323.126466	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Na-2H"	20.974666
"98048"	319.132863	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M-H+Cl"	33.962126
"538700"	470.208763	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M-H+Cl"	33.962126
"935493"	168.056963	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-H+Cl"	33.962126
"270041"	639.273002	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+Cl"	34.969402
"663194"	941.424802	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+Cl"	34.969402
"1273166"	337.121202	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Cl"	34.969402
"16330"	641.252206	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M-2H+K"	36.948606
"461361"	943.404006	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M-2H+K"	36.948606
"839892"	339.100406	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-2H+K"	36.948606
"1562289"	339.100406	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+K-2H"	36.948606
"948712"	347.149994	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-H+HCOOH"	44.998194
"365833"	649.301801	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+HCOOH-H"	44.998201
"350444"	663.317451	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+Hac-H"	59.013851
"1497452"	361.165651	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Hac-H"	59.013851
"959892"	369.131951	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-H+NaCOOH"	66.980151
"110623"	337.121202	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+2Cl"	69.938804
"550666"	488.197102	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+2Cl"	69.938804
"1021697"	186.045302	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2Cl"	69.938804
"1244761"	381.070685	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Br"	78.918885
"1309035"	383.126672	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Cl+HCOOH"	80.974872
"1323249"	405.108629	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Cl+NaCOOH"	102.956829
"915402"	415.137386	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M-H+CF3COOH"	112.985586
"1294295"	451.114064	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Cl+CF3COOH"	148.962264
"1376836"	267.139124	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H-2H2O"	-35.012676
"1386682"	285.1491	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H-H2O"	-17.0027
"287461"	605.310876	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+H"	1.007276
"677693"	907.462676	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+H"	1.007276
"1356228"	303.159076	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H"	1.007276
"130215"	303.159076	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+2H"	2.014552
"567223"	454.234976	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+2H"	2.014552
"1047329"	152.083176	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2H"	2.014552
"215957"	202.441809333333	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+3H"	3.021828
"652600"	303.159076	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+3H"	3.021828
"1166349"	101.724542666667	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+3H"	3.021828
"429620"	622.337423	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+NH4"	18.033823
"789522"	924.489223	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+NH4"	18.033823
"1685853"	320.185623	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+NH4"	18.033823
"341797"	311.6723495	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+H+NH4"	19.041099
"736409"	462.7482495	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+H+NH4"	19.041099
"1489138"	160.5964495	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H+NH4"	19.041099
"407093"	627.292818	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+Na"	22.989218
"768089"	929.444618	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+Na"	22.989218
"1617280"	325.141018	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Na"	22.989218
"329625"	314.150047	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+H+Na"	23.996494
"722168"	465.225947	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+H+Na"	23.996494
"1476676"	163.074147	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H+Na"	23.996494
"1066920"	109.051856666667	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2H+Na"	25.00377
"1266663"	335.185286	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+CH3OH+H"	33.033486
"386698"	643.266758	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+K"	38.963158
"747693"	945.418558	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+K"	38.963158
"1543184"	341.114958	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+K"	38.963158
"312387"	322.137017	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+H+K"	39.970434
"703354"	473.212917	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+H+K"	39.970434
"1458634"	171.061117	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H+K"	39.970434
"246143"	646.337426	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+ACN+H"	42.033826
"1219946"	344.185626	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+ACN+H"	42.033826
"1203824"	172.596451	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+ACN+2H"	43.041102
"201071"	649.27476	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+2Na-H"	44.97116
"638444"	951.42656	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+2Na-H"	44.97116
"1140858"	347.12296	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2Na-H"	44.97116
"177588"	325.141018	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+2Na"	45.978436
"619336"	476.216918	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+2Na"	45.978436
"1126121"	174.065118	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2Na"	45.978436
"1407460"	116.379170666667	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H+2Na"	46.985712
"1438482"	349.164546	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H+HCOOH"	47.012746
"230367"	330.17404	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+3H2O+2H"	56.04448
"1517335"	363.21659	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+IsoProp+H"	61.06479
"424075"	333.127988	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+Na+K"	61.952376
"785523"	484.203888	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+Na+K"	61.952376
"1681052"	182.052088	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Na+K"	61.952376
"267118"	668.319368	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+ACN+Na"	64.015768
"1241212"	366.167568	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+ACN+Na"	64.015768
"1728188"	366.191093	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+NH4+HCOOH"	64.039293
"1193295"	123.706484666667	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+3Na"	68.967654
"1665014"	371.146488	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Na+HCOOH"	68.994688
"172117"	681.22264	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+2K-H"	76.91904
"603047"	983.37444	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+2K-H"	76.91904
"1091933"	379.07084	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2K-H"	76.91904
"145472"	341.114958	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"2M+2K"	77.926316
"587218"	492.190858	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"3M+2K"	77.926316
"1070756"	190.039058	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2K"	77.926316
"1109312"	381.085392	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2K+H"	78.933592
"1339137"	381.173007	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+DMSO+H"	79.021207
"1009854"	385.212176	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2ACN+H"	83.060376
"1527979"	386.205808	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+IsoProp+Na+H"	84.054008
"998802"	193.109726	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+2ACN+2H"	84.067652
"1594399"	387.120428	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+K+HCOOH"	84.968628
"1423340"	417.151938	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+H+CF3COOH"	115.000138
"1153630"	213.623001	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+3ACN+2H"	125.094202
"1703181"	434.178485	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+NH4+CF3COOH"	132.026685
"1647582"	439.13388	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+Na+CF3COOH"	136.98208
"1585419"	455.10782	"C10719"	"Nordihydroguaiaretic acid;NDGA"	"C18H22O4"	"302.1518"	"M+K+CF3COOH"	152.95602
"814690"	298.1053	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M"	0
"981662"	279.08691	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-H2O-H"	-19.01839
"69904"	197.729590666667	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M-3H"	-3.021828
"516027"	297.098024	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M-3H"	-3.021828
"888360"	98.3611573333333	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-3H"	-3.021828
"8026"	297.098024	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M-2H"	-2.014552
"442123"	446.150674	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M-2H"	-2.014552
"826486"	148.045374	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-2H"	-2.014552
"91589"	595.203324	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M-H"	-1.007276
"530055"	893.308624	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M-H"	-1.007276
"907126"	297.098024	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-H"	-1.007276
"58951"	612.229871	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M-2H+NH4"	16.019271
"498507"	910.335171	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M-2H+NH4"	16.019271
"871205"	314.124571	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-2H+NH4"	16.019271
"39104"	617.185266	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M-2H+Na"	20.974666
"481585"	915.290566	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M-2H+Na"	20.974666
"856470"	319.079966	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-2H+Na"	20.974666
"1629283"	319.079966	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Na-2H"	20.974666
"101438"	315.086363	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M-H+Cl"	33.962126
"538810"	464.139013	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M-H+Cl"	33.962126
"935603"	166.033713	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-H+Cl"	33.962126
"273067"	631.180002	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+Cl"	34.969402
"660011"	929.285302	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+Cl"	34.969402
"1273151"	333.074702	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Cl"	34.969402
"15910"	633.159206	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M-2H+K"	36.948606
"456324"	931.264506	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M-2H+K"	36.948606
"833151"	335.053906	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-2H+K"	36.948606
"1558388"	335.053906	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+K-2H"	36.948606
"943718"	343.103494	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-H+HCOOH"	44.998194
"363027"	641.208801	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+HCOOH-H"	44.998201
"348002"	655.224451	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+Hac-H"	59.013851
"1494282"	357.119151	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Hac-H"	59.013851
"958552"	365.085451	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-H+NaCOOH"	66.980151
"110488"	333.074702	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+2Cl"	69.938804
"549985"	482.127352	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+2Cl"	69.938804
"1021969"	184.022052	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2Cl"	69.938804
"1242561"	377.024185	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Br"	78.918885
"1309510"	379.080172	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Cl+HCOOH"	80.974872
"1325912"	401.062129	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Cl+NaCOOH"	102.956829
"916970"	411.090886	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M-H+CF3COOH"	112.985586
"1293312"	447.067564	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Cl+CF3COOH"	148.962264
"1374030"	263.092624	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H-2H2O"	-35.012676
"1387156"	281.1026	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H-H2O"	-17.0027
"287935"	597.217876	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+H"	1.007276
"678535"	895.323176	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+H"	1.007276
"1353788"	299.112576	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H"	1.007276
"127773"	299.112576	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+2H"	2.014552
"566723"	448.165226	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+2H"	2.014552
"1048533"	150.059926	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2H"	2.014552
"214245"	199.744142666667	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+3H"	3.021828
"646150"	299.112576	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+3H"	3.021828
"1163907"	100.375709333333	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+3H"	3.021828
"428638"	614.244423	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+NH4"	18.033823
"789632"	912.349723	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+NH4"	18.033823
"1682314"	316.139123	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+NH4"	18.033823
"336439"	307.6258495	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+H+NH4"	19.041099
"729953"	456.6784995	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+H+NH4"	19.041099
"1490342"	158.5731995	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H+NH4"	19.041099
"405016"	619.199818	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+Na"	22.989218
"767468"	917.305118	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+Na"	22.989218
"1617026"	321.094518	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Na"	22.989218
"328887"	310.103547	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+H+Na"	23.996494
"720461"	459.156197	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+H+Na"	23.996494
"1476465"	161.050897	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H+Na"	23.996494
"1065087"	107.703023333333	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2H+Na"	25.00377
"1267139"	331.138786	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+CH3OH+H"	33.033486
"386808"	635.173758	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+K"	38.963158
"745617"	933.279058	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+K"	38.963158
"1544387"	337.068458	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+K"	38.963158
"311040"	318.090517	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+H+K"	39.970434
"703098"	467.143167	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+H+K"	39.970434
"1458016"	169.037867	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H+K"	39.970434
"238601"	638.244426	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+ACN+H"	42.033826
"1218964"	340.139126	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+ACN+H"	42.033826
"1203935"	170.573201	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+ACN+2H"	43.041102
"198631"	641.18176	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+2Na-H"	44.97116
"631995"	939.28706	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+2Na-H"	44.97116
"1136595"	343.07646	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2Na-H"	44.97116
"175511"	321.094518	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+2Na"	45.978436
"617259"	470.147168	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+2Na"	45.978436
"1126231"	172.041868	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2Na"	45.978436
"1407570"	115.030337333333	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H+2Na"	46.985712
"1438592"	345.118046	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H+HCOOH"	47.012746
"234123"	326.12754	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+3H2O+2H"	56.04448
"1518174"	359.17009	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+IsoProp+H"	61.06479
"423697"	329.081488	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+Na+K"	61.952376
"785553"	478.134138	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+Na+K"	61.952376
"1681175"	180.028838	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Na+K"	61.952376
"267097"	660.226368	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+ACN+Na"	64.015768
"1241192"	362.121068	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+ACN+Na"	64.015768
"1726959"	362.144593	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+NH4+HCOOH"	64.039293
"1191946"	122.357651333333	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+3Na"	68.967654
"1664027"	367.099988	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Na+HCOOH"	68.994688
"170525"	673.12964	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+2K-H"	76.91904
"606439"	971.23494	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+2K-H"	76.91904
"1092044"	375.02434	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2K-H"	76.91904
"143395"	337.068458	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"2M+2K"	77.926316
"588421"	486.121108	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"3M+2K"	77.926316
"1070136"	188.015808	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2K"	77.926316
"1109423"	377.038892	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2K+H"	78.933592
"1336936"	377.126507	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+DMSO+H"	79.021207
"1007777"	381.165676	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2ACN+H"	83.060376
"1528090"	382.159308	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+IsoProp+Na+H"	84.054008
"996725"	191.086476	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+2ACN+2H"	84.067652
"1591228"	383.073928	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+K+HCOOH"	84.968628
"1419075"	413.105438	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+H+CF3COOH"	115.000138
"1154833"	211.599751	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+3ACN+2H"	125.094202
"1701103"	430.131985	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+NH4+CF3COOH"	132.026685
"1643318"	435.08738	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+Na+CF3COOH"	136.98208
"1576781"	451.06132	"C10720"	"Picein"	"C14H18O7"	"298.1053"	"M+K+CF3COOH"	152.95602
"806052"	516.1784	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M"	0
"982865"	497.16001	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-H2O-H"	-19.01839
"67827"	343.111657333333	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M-3H"	-3.021828
"515045"	515.171124	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M-3H"	-3.021828
"889563"	171.052190666667	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-3H"	-3.021828
"9228"	515.171124	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M-2H"	-2.014552
"445512"	773.260324	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M-2H"	-2.014552
"826596"	257.081924	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-2H"	-2.014552
"94135"	1031.349524	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M-H"	-1.007276
"530163"	1547.527924	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M-H"	-1.007276
"907236"	515.171124	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-H"	-1.007276
"59790"	1048.376071	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M-2H+NH4"	16.019271
"498617"	1564.554471	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M-2H+NH4"	16.019271
"870221"	532.197671	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-2H+NH4"	16.019271
"39214"	1053.331466	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M-2H+Na"	20.974666
"481695"	1569.509866	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M-2H+Na"	20.974666
"857673"	537.153066	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-2H+Na"	20.974666
"1629029"	537.153066	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Na-2H"	20.974666
"101548"	533.159463	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M-H+Cl"	33.962126
"538920"	791.248663	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M-H+Cl"	33.962126
"935713"	275.070263	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-H+Cl"	33.962126
"273177"	1067.326202	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+Cl"	34.969402
"660489"	1583.504602	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+Cl"	34.969402
"1273380"	551.147802	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Cl"	34.969402
"16181"	1069.305406	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M-2H+K"	36.948606
"457083"	1585.483806	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M-2H+K"	36.948606
"832855"	553.127006	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-2H+K"	36.948606
"1559591"	553.127006	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+K-2H"	36.948606
"943828"	561.176594	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-H+HCOOH"	44.998194
"364230"	1077.355001	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+HCOOH-H"	44.998201
"348112"	1091.370651	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+Hac-H"	59.013851
"1494756"	575.192251	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Hac-H"	59.013851
"960111"	583.158551	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-H+NaCOOH"	66.980151
"110224"	551.147802	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+2Cl"	69.938804
"550124"	809.237002	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+2Cl"	69.938804
"1021434"	293.058602	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2Cl"	69.938804
"1241454"	595.097285	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Br"	78.918885
"1313629"	597.153272	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Cl+HCOOH"	80.974872
"1328208"	619.135229	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Cl+NaCOOH"	102.956829
"914892"	629.163986	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M-H+CF3COOH"	112.985586
"1290140"	665.140664	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Cl+CF3COOH"	148.962264
"1373776"	481.165724	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H-2H2O"	-35.012676
"1387266"	499.1757	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H-H2O"	-17.0027
"288409"	1033.364076	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+H"	1.007276
"680831"	1549.542476	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+H"	1.007276
"1356085"	517.185676	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H"	1.007276
"130435"	517.185676	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+2H"	2.014552
"567806"	775.274876	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+2H"	2.014552
"1045363"	259.096476	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2H"	2.014552
"211075"	345.126209333333	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+3H"	3.021828
"649539"	517.185676	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+3H"	3.021828
"1164746"	173.066742666667	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+3H"	3.021828
"429841"	1050.390623	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+NH4"	18.033823
"789742"	1566.569023	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+NH4"	18.033823
"1681937"	534.212223	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+NH4"	18.033823
"336548"	525.6989495	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+H+NH4"	19.041099
"728969"	783.7881495	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+H+NH4"	19.041099
"1491181"	267.6097495	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H+NH4"	19.041099
"405854"	1055.346018	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+Na"	22.989218
"767212"	1571.524418	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+Na"	22.989218
"1616770"	539.167618	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Na"	22.989218
"329120"	528.176647	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+H+Na"	23.996494
"722514"	786.265847	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+H+Na"	23.996494
"1476694"	270.087447	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H+Na"	23.996494
"1066656"	180.394056666667	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2H+Na"	25.00377
"1267248"	549.211886	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+CH3OH+H"	33.033486
"389472"	1071.319958	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+K"	38.963158
"743540"	1587.498358	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+K"	38.963158
"1546685"	555.141558	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+K"	38.963158
"308235"	536.163617	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+H+K"	39.970434
"704667"	794.252817	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+H+K"	39.970434
"1459585"	278.074417	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H+K"	39.970434
"244178"	1074.390626	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+ACN+H"	42.033826
"1221262"	558.212226	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+ACN+H"	42.033826
"1201861"	279.609751	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+ACN+2H"	43.041102
"198743"	1077.32796	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+2Na-H"	44.97116
"632110"	1593.50636	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+2Na-H"	44.97116
"1134157"	561.14956	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2Na-H"	44.97116
"175625"	539.167618	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+2Na"	45.978436
"625026"	797.256818	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+2Na"	45.978436
"1130115"	281.078418	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2Na"	45.978436
"1411331"	187.721370666667	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H+2Na"	46.985712
"1442718"	563.191146	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H+HCOOH"	47.012746
"232411"	544.20064	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+3H2O+2H"	56.04448
"1521567"	577.24319	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+IsoProp+H"	61.06479
"422715"	547.154588	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+Na+K"	61.952376
"784808"	805.243788	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+Na+K"	61.952376
"1680414"	289.065388	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Na+K"	61.952376
"266811"	1096.372568	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+ACN+Na"	64.015768
"1241062"	580.194168	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+ACN+Na"	64.015768
"1728331"	580.217693	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+NH4+HCOOH"	64.039293
"1193151"	195.048684666667	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+3Na"	68.967654
"1662317"	585.173088	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Na+HCOOH"	68.994688
"169907"	1109.27584	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+2K-H"	76.91904
"611899"	1625.45424	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+2K-H"	76.91904
"1091062"	593.09744	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2K-H"	76.91904
"143507"	555.141558	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"2M+2K"	77.926316
"589991"	813.230758	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"3M+2K"	77.926316
"1069393"	297.052358	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2K"	77.926316
"1101879"	595.111992	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2K+H"	78.933592
"1341544"	595.199607	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+DMSO+H"	79.021207
"1008983"	599.238776	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2ACN+H"	83.060376
"1526013"	600.232408	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+IsoProp+Na+H"	84.054008
"997929"	300.123026	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+2ACN+2H"	84.067652
"1592432"	601.147028	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+K+HCOOH"	84.968628
"1419185"	631.178538	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+H+CF3COOH"	115.000138
"1154943"	320.636301	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+3ACN+2H"	125.094202
"1700120"	648.205085	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+NH4+CF3COOH"	132.026685
"1645615"	653.16048	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+Na+CF3COOH"	136.98208
"1576891"	669.13442	"C10721"	"Rottlerin"	"C30H28O8"	"516.1784"	"M+K+CF3COOH"	152.95602
"806162"	329.1263	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M"	0
"982975"	310.10791	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-H2O-H"	-19.01839
"66842"	218.410257333333	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M-3H"	-3.021828
"509684"	328.119024	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M-3H"	-3.021828
"887485"	108.701490666667	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-3H"	-3.021828
"8244"	328.119024	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M-2H"	-2.014552
"448903"	492.682174	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M-2H"	-2.014552
"828892"	163.555874	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-2H"	-2.014552
"92171"	657.245324	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M-H"	-1.007276
"529542"	986.371624	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M-H"	-1.007276
"908438"	328.119024	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-H"	-1.007276
"60991"	674.271871	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M-2H+NH4"	16.019271
"499091"	1003.398171	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M-2H+NH4"	16.019271
"873612"	345.145571	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-2H+NH4"	16.019271
"36044"	679.227266	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M-2H+Na"	20.974666
"478888"	1008.353566	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M-2H+Na"	20.974666
"855597"	350.100966	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-2H+Na"	20.974666
"1621849"	350.100966	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Na-2H"	20.974666
"97283"	346.107363	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M-H+Cl"	33.962126
"535625"	510.670513	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M-H+Cl"	33.962126
"927588"	181.544213	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-H+Cl"	33.962126
"268547"	693.222002	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+Cl"	34.969402
"661578"	1022.348302	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+Cl"	34.969402
"1273126"	364.095702	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Cl"	34.969402
"16781"	695.201206	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M-2H+K"	36.948606
"458045"	1024.327506	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M-2H+K"	36.948606
"832961"	366.074906	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-2H+K"	36.948606
"1559701"	366.074906	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+K-2H"	36.948606
"944302"	374.124494	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-H+HCOOH"	44.998194
"363246"	703.250801	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+HCOOH-H"	44.998201
"348588"	717.266451	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+Hac-H"	59.013851
"1493124"	388.140151	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Hac-H"	59.013851
"959250"	396.106451	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-H+NaCOOH"	66.980151
"110708"	364.095702	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+2Cl"	69.938804
"550507"	528.658852	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+2Cl"	69.938804
"1021615"	199.532552	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2Cl"	69.938804
"1241433"	408.045185	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Br"	78.918885
"1307906"	410.101172	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Cl+HCOOH"	80.974872
"1322120"	432.083129	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Cl+NaCOOH"	102.956829
"911719"	442.111886	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M-H+CF3COOH"	112.985586
"1289521"	478.088564	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Cl+CF3COOH"	148.962264
"1373886"	294.113624	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H-2H2O"	-35.012676
"1386283"	312.1236	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H-H2O"	-17.0027
"286697"	659.259876	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+H"	1.007276
"682400"	988.386176	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+H"	1.007276
"1355467"	330.133576	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H"	1.007276
"130545"	330.133576	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+2H"	2.014552
"569378"	494.696726	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+2H"	2.014552
"1048753"	165.570426	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2H"	2.014552
"212279"	220.424809333333	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+3H"	3.021828
"652931"	330.133576	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+3H"	3.021828
"1163765"	110.716042666667	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+3H"	3.021828
"426670"	676.286423	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+NH4"	18.033823
"787664"	1005.412723	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+NH4"	18.033823
"1681309"	347.160123	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+NH4"	18.033823
"337023"	338.6468495	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+H+NH4"	19.041099
"727256"	503.2099995	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+H+NH4"	19.041099
"1489469"	174.0836995	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H+NH4"	19.041099
"403778"	681.241818	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+Na"	22.989218
"767325"	1010.368118	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+Na"	22.989218
"1616515"	352.115518	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Na"	22.989218
"326185"	341.124547	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+H+Na"	23.996494
"720791"	505.687697	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+H+Na"	23.996494
"1474976"	176.561397	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H+Na"	23.996494
"1065308"	118.043356666667	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2H+Na"	25.00377
"1267358"	362.159786	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+CH3OH+H"	33.033486
"389583"	697.215758	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+K"	38.963158
"743648"	1026.342058	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+K"	38.963158
"1550075"	368.089458	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+K"	38.963158
"308345"	349.111517	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+H+K"	39.970434
"705145"	513.674667	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+H+K"	39.970434
"1458965"	184.548367	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H+K"	39.970434
"248299"	700.286426	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+ACN+H"	42.033826
"1221006"	371.160126	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+ACN+H"	42.033826
"1204159"	186.083701	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+ACN+2H"	43.041102
"199216"	703.22376	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+2Na-H"	44.97116
"631126"	1032.35006	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+2Na-H"	44.97116
"1136819"	374.09746	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2Na-H"	44.97116
"176099"	352.115518	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+2Na"	45.978436
"626960"	516.678668	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+2Na"	45.978436
"1131268"	187.552368	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2Na"	45.978436
"1411442"	125.370670666667	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H+2Na"	46.985712
"1442829"	376.139046	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H+HCOOH"	47.012746
"231791"	357.14854	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+3H2O+2H"	56.04448
"1521677"	390.19109	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+IsoProp+H"	61.06479
"419541"	360.102488	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+Na+K"	61.952376
"785281"	524.665638	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+Na+K"	61.952376
"1677235"	195.539338	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Na+K"	61.952376
"266555"	722.268368	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+ACN+Na"	64.015768
"1237558"	393.142068	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+ACN+Na"	64.015768
"1727421"	393.165593	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+NH4+HCOOH"	64.039293
"1191438"	132.697984666667	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+3Na"	68.967654
"1664133"	398.120988	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Na+HCOOH"	68.994688
"172086"	735.17164	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+2K-H"	76.91904
"607392"	1064.29794	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+2K-H"	76.91904
"1095913"	406.04534	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2K-H"	76.91904
"155041"	368.089458	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"2M+2K"	77.926316
"587914"	532.652608	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"3M+2K"	77.926316
"1069141"	203.526308	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2K"	77.926316
"1100646"	408.059892	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2K+H"	78.933592
"1338374"	408.147507	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+DMSO+H"	79.021207
"1009091"	412.186676	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2ACN+H"	83.060376
"1526487"	413.180308	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+IsoProp+Na+H"	84.054008
"995854"	206.596976	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+2ACN+2H"	84.067652
"1594728"	414.094928	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+K+HCOOH"	84.968628
"1419296"	444.126438	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+H+CF3COOH"	115.000138
"1148491"	227.110251	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+3ACN+2H"	125.094202
"1703511"	461.152985	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+NH4+CF3COOH"	132.026685
"1644632"	466.10838	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+Na+CF3COOH"	136.98208
"1585749"	482.08232	"C10722"	"Melicopicine"	"C18H19NO5"	"329.1263"	"M+K+CF3COOH"	152.95602
"806272"	360.1937	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M"	0
"983085"	341.17531	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-H2O-H"	-19.01839
"66952"	239.121857333333	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M-3H"	-3.021828
"509794"	359.186424	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M-3H"	-3.021828
"884315"	119.057290666667	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-3H"	-3.021828
"6167"	359.186424	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M-2H"	-2.014552
"446826"	539.283274	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M-2H"	-2.014552
"826815"	179.089574	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-2H"	-2.014552
"93497"	719.380124	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M-H"	-1.007276
"530745"	1079.573824	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M-H"	-1.007276
"909641"	359.186424	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-H"	-1.007276
"61466"	736.406671	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M-2H+NH4"	16.019271
"498107"	1096.600371	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M-2H+NH4"	16.019271
"877002"	376.212971	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-2H+NH4"	16.019271
"36154"	741.362066	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M-2H+Na"	20.974666
"480091"	1101.555766	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M-2H+Na"	20.974666
"857893"	381.168366	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-2H+Na"	20.974666
"1623052"	381.168366	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Na-2H"	20.974666
"94633"	377.174763	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M-H+Cl"	33.962126
"535614"	557.271613	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M-H+Cl"	33.962126
"927465"	197.077913	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-H+Cl"	33.962126
"270117"	755.356802	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+Cl"	34.969402
"661810"	1115.550502	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+Cl"	34.969402
"1273849"	395.163102	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Cl"	34.969402
"17014"	757.336006	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M-2H+K"	36.948606
"460343"	1117.529706	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M-2H+K"	36.948606
"833037"	397.142306	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-2H+K"	36.948606
"1560542"	397.142306	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+K-2H"	36.948606
"944412"	405.191894	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-H+HCOOH"	44.998194
"363721"	765.385601	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+HCOOH-H"	44.998201
"347969"	779.401251	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+Hac-H"	59.013851
"1493518"	419.207551	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Hac-H"	59.013851
"960698"	427.173851	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-H+NaCOOH"	66.980151
"112155"	395.163102	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+2Cl"	69.938804
"550620"	575.259952	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+2Cl"	69.938804
"1022093"	215.066252	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2Cl"	69.938804
"1241627"	439.112585	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Br"	78.918885
"1307652"	441.168572	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Cl+HCOOH"	80.974872
"1322959"	463.150529	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Cl+NaCOOH"	102.956829
"912194"	473.179286	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M-H+CF3COOH"	112.985586
"1288940"	509.155964	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Cl+CF3COOH"	148.962264
"1375089"	325.181024	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H-2H2O"	-35.012676
"1383842"	343.191	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H-H2O"	-17.0027
"285714"	721.394676	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+H"	1.007276
"682510"	1081.588376	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+H"	1.007276
"1354484"	361.200976	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H"	1.007276
"130655"	361.200976	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+2H"	2.014552
"571311"	541.297826	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+2H"	2.014552
"1045582"	181.104126	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2H"	2.014552
"214574"	241.136409333333	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+3H"	3.021828
"653040"	361.200976	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+3H"	3.021828
"1164968"	121.071842666667	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+3H"	3.021828
"426779"	738.421223	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+NH4"	18.033823
"787774"	1098.614923	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+NH4"	18.033823
"1681342"	378.227523	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+NH4"	18.033823
"336767"	369.7142495	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+H+NH4"	19.041099
"730282"	549.8110995	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+H+NH4"	19.041099
"1487756"	189.6173995	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H+NH4"	19.041099
"407168"	743.376618	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+Na"	22.989218
"764883"	1103.570318	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+Na"	22.989218
"1616625"	383.182918	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Na"	22.989218
"327389"	372.191947	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+H+Na"	23.996494
"721994"	552.288797	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+H+Na"	23.996494
"1475085"	192.095097	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H+Na"	23.996494
"1067606"	128.399156666667	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2H+Na"	25.00377
"1269656"	393.227186	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+CH3OH+H"	33.033486
"390786"	759.350558	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+K"	38.963158
"748133"	1119.544258	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+K"	38.963158
"1553467"	399.156858	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+K"	38.963158
"313967"	380.178917	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+H+K"	39.970434
"705983"	560.275767	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+H+K"	39.970434
"1459440"	200.082067	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H+K"	39.970434
"248772"	762.421226	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+ACN+H"	42.033826
"1224397"	402.227526	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+ACN+H"	42.033826
"1206456"	201.617401	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+ACN+2H"	43.041102
"202245"	765.35856	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+2Na-H"	44.97116
"635608"	1125.55226	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+2Na-H"	44.97116
"1140575"	405.16486	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2Na-H"	44.97116
"182407"	383.182918	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+2Na"	45.978436
"626340"	563.279768	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+2Na"	45.978436
"1131193"	203.086068	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2Na"	45.978436
"1412524"	135.726470666667	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H+2Na"	46.985712
"1444885"	407.206446	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H+HCOOH"	47.012746
"232630"	388.21594	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+3H2O+2H"	56.04448
"1523246"	421.25849	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+IsoProp+H"	61.06479
"421837"	391.169888	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+Na+K"	61.952376
"785028"	571.266738	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+Na+K"	61.952376
"1679047"	211.073038	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Na+K"	61.952376
"265569"	784.403168	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+ACN+Na"	64.015768
"1238760"	424.209468	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+ACN+Na"	64.015768
"1727814"	424.232993	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+NH4+HCOOH"	64.039293
"1190819"	143.053784666667	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+3Na"	68.967654
"1664606"	429.188388	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Na+HCOOH"	68.994688
"170858"	797.30644	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+2K-H"	76.91904
"609689"	1157.50014	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+2K-H"	76.91904
"1097117"	437.11274	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2K-H"	76.91904
"154664"	399.156858	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"2M+2K"	77.926316
"585835"	579.253708	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"3M+2K"	77.926316
"1072172"	219.060008	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2K"	77.926316
"1102103"	439.127292	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2K+H"	78.933592
"1336904"	439.214907	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+DMSO+H"	79.021207
"1009203"	443.254076	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2ACN+H"	83.060376
"1525990"	444.247708	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+IsoProp+Na+H"	84.054008
"997057"	222.130676	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+2ACN+2H"	84.067652
"1594839"	445.162328	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+K+HCOOH"	84.968628
"1420499"	475.193838	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+H+CF3COOH"	115.000138
"1148965"	242.643951	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+3ACN+2H"	125.094202
"1703621"	492.220385	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+NH4+CF3COOH"	132.026685
"1644742"	497.17578	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+Na+CF3COOH"	136.98208
"1585859"	513.14972	"C10723"	"Tricyclodehydroisohumulone"	"C21H28O5"	"360.1937"	"M+K+CF3COOH"	152.95602
"806382"	313.095	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M"	0
"983195"	294.07661	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-H2O-H"	-19.01839
"69249"	207.722724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M-3H"	-3.021828
"506624"	312.087724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M-3H"	-3.021828
"881143"	103.357724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-3H"	-3.021828
"810"	312.087724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M-2H"	-2.014552
"448029"	468.635224	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M-2H"	-2.014552
"826924"	155.540224	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-2H"	-2.014552
"94055"	625.182724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M-H"	-1.007276
"534114"	938.277724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M-H"	-1.007276
"909386"	312.087724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-H"	-1.007276
"61820"	642.209271	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M-2H+NH4"	16.019271
"497124"	955.304271	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M-2H+NH4"	16.019271
"876019"	329.114271	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-2H+NH4"	16.019271
"36264"	647.164666	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M-2H+Na"	20.974666
"473638"	960.259666	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M-2H+Na"	20.974666
"848801"	334.069666	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-2H+Na"	20.974666
"1623162"	334.069666	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Na-2H"	20.974666
"94295"	330.076063	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M-H+Cl"	33.962126
"534251"	486.623563	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M-H+Cl"	33.962126
"927102"	173.528563	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-H+Cl"	33.962126
"267342"	661.159402	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+Cl"	34.969402
"659966"	974.254402	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+Cl"	34.969402
"1272755"	348.064402	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Cl"	34.969402
"16882"	663.138606	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M-2H+K"	36.948606
"459360"	976.233606	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M-2H+K"	36.948606
"832848"	350.043606	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-2H+K"	36.948606
"1558465"	350.043606	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+K-2H"	36.948606
"942830"	358.093194	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-H+HCOOH"	44.998194
"361723"	671.188201	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+HCOOH-H"	44.998201
"346458"	685.203851	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+Hac-H"	59.013851
"1493382"	372.108851	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Hac-H"	59.013851
"959229"	380.075151	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-H+NaCOOH"	66.980151
"110565"	348.064402	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+2Cl"	69.938804
"550241"	504.611902	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+2Cl"	69.938804
"1021954"	191.516902	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2Cl"	69.938804
"1241330"	392.013885	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Br"	78.918885
"1307398"	394.069872	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Cl+HCOOH"	80.974872
"1323435"	416.051829	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Cl+NaCOOH"	102.956829
"911980"	426.080586	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M-H+CF3COOH"	112.985586
"1288727"	462.057264	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Cl+CF3COOH"	148.962264
"1374106"	278.082324	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H-2H2O"	-35.012676
"1383952"	296.0923	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H-H2O"	-17.0027
"285824"	627.197276	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+H"	1.007276
"680433"	940.292276	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+H"	1.007276
"1352407"	314.102276	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H"	1.007276
"130765"	314.102276	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+2H"	2.014552
"571421"	470.649776	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+2H"	2.014552
"1044599"	157.554776	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2H"	2.014552
"214684"	209.737276	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+3H"	3.021828
"653150"	314.102276	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+3H"	3.021828
"1166900"	105.372276	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+3H"	3.021828
"424780"	644.223823	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+NH4"	18.033823
"786791"	957.318823	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+NH4"	18.033823
"1681453"	331.128823	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+NH4"	18.033823
"332492"	322.6155495	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+H+NH4"	19.041099
"730392"	479.1630495	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+H+NH4"	19.041099
"1487500"	166.0680495	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H+NH4"	19.041099
"402900"	649.179218	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+Na"	22.989218
"763896"	962.274218	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+Na"	22.989218
"1613086"	336.084218	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Na"	22.989218
"328223"	325.093247	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+H+Na"	23.996494
"721253"	481.640747	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+H+Na"	23.996494
"1474829"	168.545747	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H+Na"	23.996494
"1062608"	112.69959	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2H+Na"	25.00377
"1267578"	346.128486	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+CH3OH+H"	33.033486
"389437"	665.153158	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+K"	38.963158
"748243"	978.248158	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+K"	38.963158
"1552484"	352.058158	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+K"	38.963158
"312943"	333.080217	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+H+K"	39.970434
"706459"	489.627717	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+H+K"	39.970434
"1459914"	176.532717	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H+K"	39.970434
"247786"	668.223826	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+ACN+H"	42.033826
"1224626"	355.128826	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+ACN+H"	42.033826
"1205469"	178.068051	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+ACN+2H"	43.041102
"202353"	671.16116	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+2Na-H"	44.97116
"637905"	984.25616	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+2Na-H"	44.97116
"1137039"	358.06616	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2Na-H"	44.97116
"182517"	336.084218	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+2Na"	45.978436
"628349"	492.631718	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+2Na"	45.978436
"1131136"	179.536718	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2Na"	45.978436
"1413605"	120.026904	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H+2Na"	46.985712
"1445282"	360.107746	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H+HCOOH"	47.012746
"232011"	341.11724	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+3H2O+2H"	56.04448
"1522625"	374.15979	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+IsoProp+H"	61.06479
"421947"	344.071188	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+Na+K"	61.952376
"784893"	500.618688	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+Na+K"	61.952376
"1680126"	187.523688	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Na+K"	61.952376
"266531"	690.205768	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+ACN+Na"	64.015768
"1239478"	377.110768	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+ACN+Na"	64.015768
"1727031"	377.134293	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+NH4+HCOOH"	64.039293
"1193116"	127.354218	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+3Na"	68.967654
"1664473"	382.089688	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Na+HCOOH"	68.994688
"171697"	703.10904	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+2K-H"	76.91904
"609071"	1016.20404	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+2K-H"	76.91904
"1097227"	390.01404	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2K-H"	76.91904
"153682"	352.058158	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"2M+2K"	77.926316
"583515"	508.605658	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"3M+2K"	77.926316
"1071188"	195.510658	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2K"	77.926316
"1101362"	392.028592	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2K+H"	78.933592
"1336037"	392.116207	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+DMSO+H"	79.021207
"1009313"	396.155376	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2ACN+H"	83.060376
"1524763"	397.149008	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+IsoProp+Na+H"	84.054008
"998260"	198.581326	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+2ACN+2H"	84.067652
"1597137"	398.063628	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+K+HCOOH"	84.968628
"1422797"	428.095138	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+H+CF3COOH"	115.000138
"1150898"	219.094601	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+3ACN+2H"	125.094202
"1700449"	445.121685	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+NH4+CF3COOH"	132.026685
"1648132"	450.07708	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+Na+CF3COOH"	136.98208
"1585969"	466.05102	"C10724"	"Melicopine;45-Dimethoxy-methyl-13-dioxolo(45-c)acridin-6(11H)-one"	"C17H15NO5"	"313.095"	"M+K+CF3COOH"	152.95602
"806492"	374.1366	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M"	0
"983305"	355.11821	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-H2O-H"	-19.01839
"69359"	248.417124	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M-3H"	-3.021828
"507827"	373.129324	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M-3H"	-3.021828
"881253"	123.704924	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-3H"	-3.021828
"2013"	373.129324	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M-2H"	-2.014552
"448139"	560.197624	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M-2H"	-2.014552
"825941"	186.061024	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-2H"	-2.014552
"93231"	747.265924	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M-H"	-1.007276
"533724"	1121.402524	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M-H"	-1.007276
"909011"	373.129324	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-H"	-1.007276
"61444"	764.292471	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M-2H+NH4"	16.019271
"499785"	1138.429071	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M-2H+NH4"	16.019271
"876129"	390.155871	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-2H+NH4"	16.019271
"36374"	769.247866	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M-2H+Na"	20.974666
"474841"	1143.384466	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M-2H+Na"	20.974666
"849724"	395.111266	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-2H+Na"	20.974666
"1619988"	395.111266	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Na-2H"	20.974666
"94287"	391.117663	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M-H+Cl"	33.962126
"534730"	578.185963	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M-H+Cl"	33.962126
"927399"	204.049363	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-H+Cl"	33.962126
"267533"	783.242602	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+Cl"	34.969402
"660437"	1157.379202	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+Cl"	34.969402
"1272964"	409.106002	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Cl"	34.969402
"15765"	785.221806	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M-2H+K"	36.948606
"460563"	1159.358406	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M-2H+K"	36.948606
"833379"	411.085206	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-2H+K"	36.948606
"1559303"	411.085206	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+K-2H"	36.948606
"944263"	419.134794	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-H+HCOOH"	44.998194
"362724"	793.271401	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+HCOOH-H"	44.998201
"346730"	807.287051	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+Hac-H"	59.013851
"1494462"	433.150451	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Hac-H"	59.013851
"960190"	441.116751	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-H+NaCOOH"	66.980151
"111647"	409.106002	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+2Cl"	69.938804
"550114"	596.174302	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+2Cl"	69.938804
"1021942"	222.037702	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2Cl"	69.938804
"1241525"	453.055485	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Br"	78.918885
"1306414"	455.111472	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Cl+HCOOH"	80.974872
"1323181"	477.093429	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Cl+NaCOOH"	102.956829
"911807"	487.122186	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M-H+CF3COOH"	112.985586
"1290212"	523.098864	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Cl+CF3COOH"	148.962264
"1372029"	339.123924	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H-2H2O"	-35.012676
"1384062"	357.1339	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H-H2O"	-17.0027
"284840"	749.280476	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+H"	1.007276
"677261"	1123.417076	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+H"	1.007276
"1352149"	375.143876	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H"	1.007276
"126376"	375.143876	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+2H"	2.014552
"571531"	562.212176	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+2H"	2.014552
"1046895"	188.075576	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2H"	2.014552
"217709"	250.431676	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+3H"	3.021828
"652167"	375.143876	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+3H"	3.021828
"1165917"	125.719476	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+3H"	3.021828
"425297"	766.307023	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+NH4"	18.033823
"786901"	1140.443623	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+NH4"	18.033823
"1682012"	392.170423	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+NH4"	18.033823
"331143"	383.6571495	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+H+NH4"	19.041099
"726856"	570.7254495	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+H+NH4"	19.041099
"1488703"	196.5888495	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H+NH4"	19.041099
"405196"	771.262418	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+Na"	22.989218
"766192"	1145.399018	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+Na"	22.989218
"1615382"	397.125818	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Na"	22.989218
"326998"	386.134847	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+H+Na"	23.996494
"719661"	573.203147	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+H+Na"	23.996494
"1473842"	199.066547	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H+Na"	23.996494
"1062718"	133.04679	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2H+Na"	25.00377
"1266594"	407.170086	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+CH3OH+H"	33.033486
"385171"	787.236358	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+K"	38.963158
"750177"	1161.372958	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+K"	38.963158
"1553688"	413.099758	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+K"	38.963158
"311959"	394.121817	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+H+K"	39.970434
"706204"	581.190117	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+H+K"	39.970434
"1458930"	207.053517	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H+K"	39.970434
"246802"	790.307026	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+ACN+H"	42.033826
"1223765"	416.170426	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+ACN+H"	42.033826
"1203393"	208.588851	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+ACN+2H"	43.041102
"199545"	793.24436	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+2Na-H"	44.97116
"640201"	1167.38096	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+2Na-H"	44.97116
"1137149"	419.10776	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2Na-H"	44.97116
"179346"	397.125818	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+2Na"	45.978436
"626806"	584.194118	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+2Na"	45.978436
"1130440"	210.057518	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2Na"	45.978436
"1412871"	140.374104	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H+2Na"	46.985712
"1444498"	421.149346	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H+HCOOH"	47.012746
"232486"	402.15884	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+3H2O+2H"	56.04448
"1522616"	435.20139	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+IsoProp+H"	61.06479
"423154"	405.112788	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+Na+K"	61.952376
"783792"	592.181088	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+Na+K"	61.952376
"1679387"	218.044488	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Na+K"	61.952376
"266155"	812.288968	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+ACN+Na"	64.015768
"1239345"	438.152368	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+ACN+Na"	64.015768
"1727870"	438.175893	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+NH4+HCOOH"	64.039293
"1193348"	147.701418	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+3Na"	68.967654
"1662759"	443.131288	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Na+HCOOH"	68.994688
"168162"	825.19224	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+2K-H"	76.91904
"609904"	1199.32884	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+2K-H"	76.91904
"1094780"	451.05564	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2K-H"	76.91904
"151232"	413.099758	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"2M+2K"	77.926316
"591159"	600.168058	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"3M+2K"	77.926316
"1081147"	226.031458	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2K"	77.926316
"1104511"	453.070192	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2K+H"	78.933592
"1347457"	453.157807	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+DMSO+H"	79.021207
"1008330"	457.196976	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2ACN+H"	83.060376
"1524389"	458.190608	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+IsoProp+Na+H"	84.054008
"996184"	229.102126	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+2ACN+2H"	84.067652
"1595060"	459.105228	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+K+HCOOH"	84.968628
"1422908"	489.136738	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+H+CF3COOH"	115.000138
"1149915"	249.615401	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+3ACN+2H"	125.094202
"1700194"	506.163285	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+NH4+CF3COOH"	132.026685
"1648242"	511.11868	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+Na+CF3COOH"	136.98208
"1586079"	527.09262	"C10725"	"Nortrachelogenin"	"C20H22O7"	"374.1366"	"M+K+CF3COOH"	152.95602
"806602"	196.0736	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M"	0
"983415"	177.05521	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"69469"	129.708457333333	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"506844"	195.066324	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"880512"	64.3505906666667	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"4310"	195.066324	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"444969"	293.103124	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"826051"	97.029524	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"93466"	391.139924	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"533387"	587.213524	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"908513"	195.066324	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"61797"	408.166471	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"499166"	604.240071	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"875874"	212.092871	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"37577"	413.121866	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"476044"	609.195466	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"849344"	217.048266	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1619607"	217.048266	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"94712"	213.054663	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"534883"	311.091463	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"928115"	115.017863	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"268251"	427.116602	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"660350"	623.190202	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1274045"	231.043002	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"16037"	429.095806	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"459944"	625.169406	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"833125"	233.022206	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1558682"	233.022206	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"944376"	241.071794	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"362226"	437.145401	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"346835"	451.161051	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1494936"	255.087451	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"960290"	263.053751	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"110783"	231.043002	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"550709"	329.079802	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1021971"	133.006202	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1241637"	274.992485	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1305290"	277.048472	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1320049"	299.030429	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"911792"	309.059186	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1289227"	345.035864	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1372139"	161.060924	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1384172"	179.0709	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"284585"	393.154476	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"678828"	589.228076	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1353717"	197.080876	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"126486"	197.080876	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"571641"	295.117676	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1048099"	99.044076	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"216726"	131.723009333333	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"653370"	197.080876	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1167120"	66.3651426666667	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"424435"	410.181023	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"787011"	606.254623	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1681879"	214.107423	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"330063"	205.5941495	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"725506"	303.6309495	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1482244"	107.5573495	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"405306"	415.136418	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"764116"	611.210018	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1614398"	219.062818	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"327593"	208.071847	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"719042"	306.108647	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1471765"	110.035047	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1062828"	73.6924566666667	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1266705"	229.107086	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"385281"	431.110358	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"749558"	627.183958	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1551612"	235.036758	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"312070"	216.058817	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"704858"	314.095617	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1456124"	118.022017	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"245819"	434.181026	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1222538"	238.107426	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1202410"	119.557351	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"201968"	437.11836	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"638125"	633.19196	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1146376"	241.04476	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"180549"	219.062818	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"625941"	317.099618	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1130179"	121.026018	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1412615"	81.0197706666667	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1444973"	243.086346	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"232231"	224.09584	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1523455"	257.13839	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"422778"	227.049788	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"783779"	325.086588	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1680226"	129.012988	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"264928"	456.162968	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1239089"	260.089368	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1726767"	260.112893	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1191148"	88.3470846666667	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1664328"	265.068288	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"169729"	469.06624	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"610378"	665.13984	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1097077"	272.99264	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"150613"	235.036758	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"593456"	333.073558	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1079061"	136.999958	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1114341"	275.007192	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1346475"	275.094807	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1009533"	279.133976	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1533129"	280.127608	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"990826"	140.070626	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1595169"	281.042228	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1420830"	311.073738	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1150026"	160.583901	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1699211"	328.100285	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1648352"	333.05568	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1586189"	349.02962	"C10726"	"Xanthoxylin"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"806712"	331.1572	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M"	0
"983525"	312.13881	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-H2O-H"	-19.01839
"69579"	219.764190666667	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M-3H"	-3.021828
"510233"	330.149924	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M-3H"	-3.021828
"882567"	109.378457333333	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-3H"	-3.021828
"2234"	330.149924	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M-2H"	-2.014552
"446172"	495.728524	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M-2H"	-2.014552
"826161"	164.571324	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-2H"	-2.014552
"93940"	661.307124	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M-H"	-1.007276
"533375"	992.464324	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M-H"	-1.007276
"908989"	330.149924	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-H"	-1.007276
"62516"	678.333671	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M-2H+NH4"	16.019271
"498912"	1009.490871	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M-2H+NH4"	16.019271
"874527"	347.176471	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-2H+NH4"	16.019271
"37687"	683.289066	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M-2H+Na"	20.974666
"476154"	1014.446266	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M-2H+Na"	20.974666
"850063"	352.131866	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-2H+Na"	20.974666
"1619476"	352.131866	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Na-2H"	20.974666
"95151"	348.138263	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M-H+Cl"	33.962126
"534834"	513.716863	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M-H+Cl"	33.962126
"928105"	182.559663	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-H+Cl"	33.962126
"268118"	697.283802	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+Cl"	34.969402
"660663"	1028.441002	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+Cl"	34.969402
"1273066"	366.126602	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Cl"	34.969402
"16228"	699.263006	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M-2H+K"	36.948606
"459690"	1030.420206	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M-2H+K"	36.948606
"833714"	368.105806	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-2H+K"	36.948606
"1558792"	368.105806	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+K-2H"	36.948606
"943878"	376.155394	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-H+HCOOH"	44.998194
"363785"	707.312601	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+HCOOH-H"	44.998201
"347305"	721.328251	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+Hac-H"	59.013851
"1494320"	390.171051	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Hac-H"	59.013851
"960764"	398.137351	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-H+NaCOOH"	66.980151
"112951"	366.126602	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+2Cl"	69.938804
"550818"	531.705202	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+2Cl"	69.938804
"1021803"	200.548002	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2Cl"	69.938804
"1241504"	410.076085	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Br"	78.918885
"1304680"	412.132072	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Cl+HCOOH"	80.974872
"1320483"	434.114029	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Cl+NaCOOH"	102.956829
"912634"	444.142786	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M-H+CF3COOH"	112.985586
"1290432"	480.119464	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Cl+CF3COOH"	148.962264
"1372249"	296.144524	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H-2H2O"	-35.012676
"1390842"	314.1545	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H-H2O"	-17.0027
"288341"	663.321676	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+H"	1.007276
"678574"	994.478876	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+H"	1.007276
"1353464"	332.164476	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H"	1.007276
"126720"	332.164476	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+2H"	2.014552
"566280"	497.743076	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+2H"	2.014552
"1039454"	166.585876	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2H"	2.014552
"215014"	221.778742666667	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+3H"	3.021828
"649107"	332.164476	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+3H"	3.021828
"1163950"	111.393009333333	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+3H"	3.021828
"425150"	680.348223	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+NH4"	18.033823
"786509"	1011.505423	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+NH4"	18.033823
"1682721"	349.191023	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+NH4"	18.033823
"333912"	340.6777495	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+H+NH4"	19.041099
"726339"	506.2563495	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+H+NH4"	19.041099
"1481261"	175.0991495	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H+NH4"	19.041099
"405416"	685.303618	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+Na"	22.989218
"766412"	1016.460818	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+Na"	22.989218
"1616695"	354.146418	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Na"	22.989218
"328554"	343.155447	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+H+Na"	23.996494
"721218"	508.734047	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+H+Na"	23.996494
"1470783"	177.576847	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H+Na"	23.996494
"1067880"	118.720323333333	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2H+Na"	25.00377
"1261347"	364.190686	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+CH3OH+H"	33.033486
"384297"	701.277558	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+K"	38.963158
"743106"	1032.434758	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+K"	38.963158
"1552815"	370.120358	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+K"	38.963158
"311086"	351.142417	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+H+K"	39.970434
"705692"	516.721017	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+H+K"	39.970434
"1458787"	185.563817	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H+K"	39.970434
"247023"	704.348226	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+ACN+H"	42.033826
"1223014"	373.191026	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+ACN+H"	42.033826
"1203613"	187.099151	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+ACN+2H"	43.041102
"200860"	707.28556	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+2Na-H"	44.97116
"637142"	1038.44276	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+2Na-H"	44.97116
"1146326"	376.12836	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2Na-H"	44.97116
"177379"	354.146418	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+2Na"	45.978436
"626051"	519.725018	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+2Na"	45.978436
"1129931"	188.567818	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2Na"	45.978436
"1413210"	126.047637333333	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H+2Na"	46.985712
"1444600"	378.169946	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H+HCOOH"	47.012746
"234043"	359.17944	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+3H2O+2H"	56.04448
"1523565"	392.22199	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+IsoProp+H"	61.06479
"423375"	362.133388	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+Na+K"	61.952376
"784132"	527.711988	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+Na+K"	61.952376
"1679851"	196.554788	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Na+K"	61.952376
"265038"	726.330168	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+ACN+Na"	64.015768
"1238837"	395.172968	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+ACN+Na"	64.015768
"1725538"	395.196493	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+NH4+HCOOH"	64.039293
"1191259"	133.374951333333	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+3Na"	68.967654
"1664560"	400.151888	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Na+HCOOH"	68.994688
"170568"	739.23344	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+2K-H"	76.91904
"608301"	1070.39064	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+2K-H"	76.91904
"1095730"	408.07624	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2K-H"	76.91904
"152910"	370.120358	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"2M+2K"	77.926316
"593566"	535.698958	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"3M+2K"	77.926316
"1080263"	204.541758	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2K"	77.926316
"1114815"	410.090792	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2K+H"	78.933592
"1346585"	410.178407	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+DMSO+H"	79.021207
"1011830"	414.217576	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2ACN+H"	83.060376
"1531052"	415.211208	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+IsoProp+Na+H"	84.054008
"1004667"	207.612426	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+2ACN+2H"	84.067652
"1590905"	416.125828	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+K+HCOOH"	84.968628
"1422033"	446.157338	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+H+CF3COOH"	115.000138
"1150136"	228.125701	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+3ACN+2H"	125.094202
"1700778"	463.183885	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+NH4+CF3COOH"	132.026685
"1645182"	468.13928	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+Na+CF3COOH"	136.98208
"1586299"	484.11322	"C10727"	"Melochinone"	"C22H21NO2"	"331.1572"	"M+K+CF3COOH"	152.95602
"806822"	324.1362	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M"	0
"983635"	305.11781	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-H2O-H"	-19.01839
"66409"	215.083524	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M-3H"	-3.021828
"507063"	323.128924	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M-3H"	-3.021828
"882677"	107.038124	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-3H"	-3.021828
"2344"	323.128924	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M-2H"	-2.014552
"446282"	485.197024	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M-2H"	-2.014552
"820803"	161.060824	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-2H"	-2.014552
"93074"	647.265124	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M-H"	-1.007276
"532874"	971.401324	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M-H"	-1.007276
"906910"	323.128924	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-H"	-1.007276
"62424"	664.291671	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M-2H+NH4"	16.019271
"499022"	988.427871	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M-2H+NH4"	16.019271
"876095"	340.155471	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-2H+NH4"	16.019271
"37797"	669.247066	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M-2H+Na"	20.974666
"477359"	993.383266	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M-2H+Na"	20.974666
"852972"	345.110866	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-2H+Na"	20.974666
"1623598"	345.110866	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Na-2H"	20.974666
"95752"	341.117263	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M-H+Cl"	33.962126
"538592"	503.185363	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M-H+Cl"	33.962126
"927728"	179.049163	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-H+Cl"	33.962126
"268111"	683.241802	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+Cl"	34.969402
"660657"	1007.378002	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+Cl"	34.969402
"1273422"	359.105602	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Cl"	34.969402
"16100"	685.221006	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M-2H+K"	36.948606
"459800"	1009.357206	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M-2H+K"	36.948606
"833016"	361.084806	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-2H+K"	36.948606
"1558172"	361.084806	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+K-2H"	36.948606
"943862"	369.134394	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-H+HCOOH"	44.998194
"362680"	693.270601	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+HCOOH-H"	44.998201
"347417"	707.286251	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+Hac-H"	59.013851
"1493454"	383.150051	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Hac-H"	59.013851
"959539"	391.116351	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-H+NaCOOH"	66.980151
"110882"	359.105602	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+2Cl"	69.938804
"552996"	521.173702	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+2Cl"	69.938804
"1023617"	197.037502	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2Cl"	69.938804
"1242832"	403.055085	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Br"	78.918885
"1305277"	405.111072	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Cl+HCOOH"	80.974872
"1324241"	427.093029	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Cl+NaCOOH"	102.956829
"912501"	437.121786	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M-H+CF3COOH"	112.985586
"1290543"	473.098464	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Cl+CF3COOH"	148.962264
"1367976"	289.123524	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H-2H2O"	-35.012676
"1389859"	307.1335	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H-H2O"	-17.0027
"291731"	649.279676	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+H"	1.007276
"680871"	973.415876	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+H"	1.007276
"1355032"	325.143476	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H"	1.007276
"129014"	325.143476	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+2H"	2.014552
"570762"	487.211576	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+2H"	2.014552
"1040657"	163.075376	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2H"	2.014552
"211844"	217.098076	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+3H"	3.021828
"647757"	325.143476	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+3H"	3.021828
"1164060"	109.052676	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+3H"	3.021828
"425141"	666.306223	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+NH4"	18.033823
"787229"	990.442423	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+NH4"	18.033823
"1682345"	342.170023	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+NH4"	18.033823
"333293"	333.6567495	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+H+NH4"	19.041099
"724260"	495.7248495	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+H+NH4"	19.041099
"1483558"	171.5886495	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H+NH4"	19.041099
"403340"	671.261618	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+Na"	22.989218
"759963"	995.397818	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+Na"	22.989218
"1611340"	347.125418	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Na"	22.989218
"324657"	336.134447	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+H+Na"	23.996494
"720356"	498.202547	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+H+Na"	23.996494
"1475149"	174.066347	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H+Na"	23.996494
"1066695"	116.37999	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2H+Na"	25.00377
"1260728"	357.169686	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+CH3OH+H"	33.033486
"384408"	687.235558	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+K"	38.963158
"743216"	1011.371758	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+K"	38.963158
"1551832"	363.099358	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+K"	38.963158
"310101"	344.121417	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+H+K"	39.970434
"703617"	506.189517	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+H+K"	39.970434
"1453062"	182.053317	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H+K"	39.970434
"240571"	690.306226	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+ACN+H"	42.033826
"1223122"	366.170026	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+ACN+H"	42.033826
"1202630"	183.588651	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+ACN+2H"	43.041102
"199876"	693.24356	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+2Na-H"	44.97116
"638343"	1017.37976	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+2Na-H"	44.97116
"1142941"	369.10736	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2Na-H"	44.97116
"186234"	347.125418	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+2Na"	45.978436
"627863"	509.193518	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+2Na"	45.978436
"1130883"	185.057318	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2Na"	45.978436
"1412951"	123.707304	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H+2Na"	46.985712
"1445069"	371.148946	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H+HCOOH"	47.012746
"233545"	352.15844	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+3H2O+2H"	56.04448
"1523879"	385.20099	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+IsoProp+H"	61.06479
"422389"	355.112388	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+Na+K"	61.952376
"784607"	517.180488	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+Na+K"	61.952376
"1680819"	193.044288	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Na+K"	61.952376
"266364"	712.288168	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+ACN+Na"	64.015768
"1240289"	388.151968	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+ACN+Na"	64.015768
"1726376"	388.175493	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+NH4+HCOOH"	64.039293
"1191732"	131.034618	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+3Na"	68.967654
"1663089"	393.130888	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Na+HCOOH"	68.994688
"171042"	725.19144	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+2K-H"	76.91904
"608411"	1049.32764	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+2K-H"	76.91904
"1095111"	401.05524	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2K-H"	76.91904
"153020"	363.099358	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"2M+2K"	77.926316
"592582"	525.167458	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"3M+2K"	77.926316
"1080373"	201.031258	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2K"	77.926316
"1112492"	403.069792	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2K+H"	78.933592
"1346695"	403.157407	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+DMSO+H"	79.021207
"1015220"	407.196576	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2ACN+H"	83.060376
"1534439"	408.190208	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+IsoProp+Na+H"	84.054008
"1004777"	204.101926	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+2ACN+2H"	84.067652
"1594296"	409.104828	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+K+HCOOH"	84.968628
"1422143"	439.136338	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+H+CF3COOH"	115.000138
"1151340"	224.615201	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+3ACN+2H"	125.094202
"1700888"	456.162885	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+NH4+CF3COOH"	132.026685
"1645292"	461.11828	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+Na+CF3COOH"	136.98208
"1586409"	477.09222	"C10728"	"Otobain"	"C20H20O4"	"324.1362"	"M+K+CF3COOH"	152.95602
"806932"	400.1158	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M"	0
"985932"	381.09741	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"70892"	265.736590666667	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"508266"	399.108524	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"883880"	132.364657333333	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"2453"	399.108524	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"445296"	599.166424	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"825285"	199.050624	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"93301"	799.224324	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"532132"	1199.340124	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"910546"	399.108524	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"59937"	816.250871	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"497309"	1216.366671	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"876569"	416.135071	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"37907"	821.206266	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"475282"	1221.322066	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"850894"	421.090466	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1623708"	421.090466	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"96956"	417.096863	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"534524"	617.154763	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"927225"	217.038963	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"268586"	835.201002	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"660282"	1235.316802	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1273778"	435.085202	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"15927"	837.180206	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"458814"	1237.296006	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"833375"	437.064406	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1558646"	437.064406	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"942861"	445.113994	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"361568"	845.229801	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"346076"	859.245451	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1494545"	459.129651	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"959169"	467.095951	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"110070"	435.085202	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"552011"	635.143102	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1023363"	235.027302	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1242578"	479.034685	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1305023"	481.090672	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1321063"	503.072629	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"913213"	513.101386	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1289559"	549.078064	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1368817"	365.103124	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1394342"	383.1131	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"291842"	801.238876	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"678064"	1201.354676	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1356235"	401.123076	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"129125"	401.123076	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"568684"	601.180976	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1039674"	201.065176	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"211954"	267.751142666667	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"649325"	401.123076	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1165263"	134.379209333333	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"426348"	818.265423	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"786248"	1218.381223	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1682579"	418.149623	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"330855"	409.6363495	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"723398"	609.6942495	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1484760"	209.5784495	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"403445"	823.220818	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"763350"	1223.336618	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1613630"	423.105018	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"325859"	412.114047	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"719373"	612.171947	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1475987"	212.056147	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1064251"	141.706523333333	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1265577"	433.149286	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"386705"	839.194758	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"748793"	1239.310558	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1550847"	439.078958	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"309117"	420.101017	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"704819"	620.158917	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1455359"	220.043117	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"247242"	842.265426	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1223232"	442.149626	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1203834"	221.578451	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"201080"	845.20276	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"640640"	1245.31856	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1146944"	445.08696	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"188347"	423.105018	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"625904"	623.162918	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1128316"	223.047118	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1413666"	149.033837333333	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1445297"	447.128546	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"235356"	428.13804	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1524044"	461.18059	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"423474"	431.091988	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"785554"	631.149888	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1680430"	231.034088	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"266715"	864.247368	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1241130"	464.131568	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1726486"	464.155093	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1191113"	156.361151333333	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1665027"	469.110488	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"172617"	877.15064	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"609614"	1277.26644	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1095221"	477.03484	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"154223"	439.078958	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"595729"	639.136858	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1080483"	239.021058	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1113818"	479.049392	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1348990"	479.137007	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1014239"	483.176176	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1537466"	484.169808	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"1004037"	242.091726	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1602496"	485.084428	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1423347"	515.115938	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1152544"	262.605001	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1698812"	532.142485	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1645402"	537.09788	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1586519"	553.07182	"C10729"	"alpha-Peltatin"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"807042"	428.1471	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M"	0
"983855"	409.12871	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-H2O-H"	-19.01839
"66629"	284.424124	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M-3H"	-3.021828
"505460"	427.139824	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M-3H"	-3.021828
"882896"	141.708424	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-3H"	-3.021828
"738"	427.139824	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M-2H"	-2.014552
"440180"	641.213374	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M-2H"	-2.014552
"819929"	213.066274	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-2H"	-2.014552
"85389"	855.286924	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M-H"	-1.007276
"527137"	1283.434024	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M-H"	-1.007276
"907131"	427.139824	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-H"	-1.007276
"58225"	872.313471	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M-2H+NH4"	16.019271
"497055"	1300.460571	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M-2H+NH4"	16.019271
"874129"	444.166371	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-2H+NH4"	16.019271
"42028"	877.268866	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M-2H+Na"	20.974666
"477579"	1305.415966	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M-2H+Na"	20.974666
"848978"	449.121766	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-2H+Na"	20.974666
"1622726"	449.121766	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Na-2H"	20.974666
"94634"	445.128163	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M-H+Cl"	33.962126
"536625"	659.201713	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M-H+Cl"	33.962126
"928682"	231.054613	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-H+Cl"	33.962126
"270521"	891.263602	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+Cl"	34.969402
"660182"	1319.410702	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+Cl"	34.969402
"1272909"	463.116502	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Cl"	34.969402
"15835"	893.242806	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M-2H+K"	36.948606
"458196"	1321.389906	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M-2H+K"	36.948606
"833073"	465.095706	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-2H+K"	36.948606
"1557297"	465.095706	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+K-2H"	36.948606
"945180"	473.145294	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-H+HCOOH"	44.998194
"363764"	901.292401	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+HCOOH-H"	44.998201
"348013"	915.308051	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+Hac-H"	59.013851
"1495023"	487.160951	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Hac-H"	59.013851
"959280"	495.127251	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-H+NaCOOH"	66.980151
"110327"	463.116502	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+2Cl"	69.938804
"552122"	677.190052	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+2Cl"	69.938804
"1022379"	249.042952	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2Cl"	69.938804
"1242688"	507.065985	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Br"	78.918885
"1305258"	509.121972	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Cl+HCOOH"	80.974872
"1321177"	531.103929	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Cl+NaCOOH"	102.956829
"915152"	541.132686	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M-H+CF3COOH"	112.985586
"1290152"	577.109364	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Cl+CF3COOH"	148.962264
"1370381"	393.134424	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H-2H2O"	-35.012676
"1388984"	411.1444	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H-H2O"	-17.0027
"286483"	857.301476	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+H"	1.007276
"676718"	1285.448576	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+H"	1.007276
"1354159"	429.154376	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H"	1.007276
"127048"	429.154376	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+2H"	2.014552
"568795"	643.227926	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+2H"	2.014552
"1039784"	215.080826	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2H"	2.014552
"210971"	286.438676	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+3H"	3.021828
"649435"	429.154376	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+3H"	3.021828
"1165373"	143.722976	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+3H"	3.021828
"425729"	874.328023	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+NH4"	18.033823
"790734"	1302.475123	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+NH4"	18.033823
"1683782"	446.180923	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+NH4"	18.033823
"330551"	437.6676495	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+H+NH4"	19.041099
"725578"	651.7411995	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+H+NH4"	19.041099
"1479397"	223.5940995	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H+NH4"	19.041099
"394796"	879.283418	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+Na"	22.989218
"756889"	1307.430518	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+Na"	22.989218
"1610458"	451.136318	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Na"	22.989218
"325605"	440.145347	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+H+Na"	23.996494
"720212"	654.218897	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+H+Na"	23.996494
"1475490"	226.071797	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H+Na"	23.996494
"1064361"	151.05029	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2H+Na"	25.00377
"1264592"	461.180586	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+CH3OH+H"	33.033486
"388271"	895.257358	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+K"	38.963158
"750358"	1323.404458	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+K"	38.963158
"1550956"	467.110258	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+K"	38.963158
"307037"	448.132317	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+H+K"	39.970434
"702741"	662.205867	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+H+K"	39.970434
"1456563"	234.058767	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H+K"	39.970434
"246259"	898.328026	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+ACN+H"	42.033826
"1222248"	470.180926	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+ACN+H"	42.033826
"1203944"	235.594101	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+ACN+2H"	43.041102
"199003"	901.26536	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+2Na-H"	44.97116
"636377"	1329.41246	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+2Na-H"	44.97116
"1143162"	473.11826	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2Na-H"	44.97116
"186454"	451.136318	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+2Na"	45.978436
"623828"	665.209868	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+2Na"	45.978436
"1128426"	237.062768	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2Na"	45.978436
"1413698"	158.377604	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H+2Na"	46.985712
"1445450"	475.159846	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H+HCOOH"	47.012746
"234861"	456.16934	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+3H2O+2H"	56.04448
"1523938"	489.21189	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+IsoProp+H"	61.06479
"422612"	459.123288	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+Na+K"	61.952376
"785508"	673.196838	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+Na+K"	61.952376
"1680297"	245.049738	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Na+K"	61.952376
"265367"	920.309968	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+ACN+Na"	64.015768
"1238805"	492.162868	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+ACN+Na"	64.015768
"1725867"	492.186393	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+NH4+HCOOH"	64.039293
"1190130"	165.704918	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+3Na"	68.967654
"1665334"	497.141788	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Na+HCOOH"	68.994688
"172723"	933.21324	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+2K-H"	76.91904
"609724"	1361.36034	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+2K-H"	76.91904
"1096424"	505.06614	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2K-H"	76.91904
"151054"	467.110258	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"2M+2K"	77.926316
"594988"	681.183808	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"3M+2K"	77.926316
"1079500"	253.036708	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2K"	77.926316
"1114779"	507.080692	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2K+H"	78.933592
"1351171"	507.168307	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+DMSO+H"	79.021207
"1016536"	511.207476	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2ACN+H"	83.060376
"1535754"	512.201108	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+IsoProp+Na+H"	84.054008
"1004997"	256.107376	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+2ACN+2H"	84.067652
"1602709"	513.115728	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+K+HCOOH"	84.968628
"1429876"	543.147238	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+H+CF3COOH"	115.000138
"1151561"	276.620651	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+3ACN+2H"	125.094202
"1701109"	560.173785	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+NH4+CF3COOH"	132.026685
"1645512"	565.12918	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+Na+CF3COOH"	136.98208
"1586629"	581.10312	"C10730"	"beta-Peltatin A methyl ether"	"C23H24O8"	"428.1471"	"M+K+CF3COOH"	152.95602
"807152"	241.1103	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M"	0
"983965"	222.09191	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-H2O-H"	-19.01839
"66739"	159.732924	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M-3H"	-3.021828
"505934"	240.103024	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M-3H"	-3.021828
"883370"	79.362824	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-3H"	-3.021828
"608"	240.103024	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M-2H"	-2.014552
"440330"	360.658174	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M-2H"	-2.014552
"820039"	119.547874	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-2H"	-2.014552
"81126"	481.213324	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M-H"	-1.007276
"527247"	722.323624	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M-H"	-1.007276
"908943"	240.103024	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-H"	-1.007276
"60521"	498.239871	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M-2H+NH4"	16.019271
"497165"	739.350171	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M-2H+NH4"	16.019271
"876425"	257.129571	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-2H+NH4"	16.019271
"43231"	503.195266	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M-2H+Na"	20.974666
"477689"	744.305566	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M-2H+Na"	20.974666
"849049"	262.084966	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-2H+Na"	20.974666
"1622836"	262.084966	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Na-2H"	20.974666
"94744"	258.091363	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M-H+Cl"	33.962126
"536735"	378.646513	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M-H+Cl"	33.962126
"929157"	137.536213	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-H+Cl"	33.962126
"271724"	517.190002	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+Cl"	34.969402
"663784"	758.300302	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+Cl"	34.969402
"1275455"	276.079702	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Cl"	34.969402
"15955"	519.169206	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M-2H+K"	36.948606
"460131"	760.279506	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M-2H+K"	36.948606
"835376"	278.058906	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-2H+K"	36.948606
"1559229"	278.058906	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+K-2H"	36.948606
"944926"	286.108494	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-H+HCOOH"	44.998194
"361804"	527.218801	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+HCOOH-H"	44.998201
"348850"	541.234451	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+Hac-H"	59.013851
"1495129"	300.124151	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Hac-H"	59.013851
"960482"	308.090451	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-H+NaCOOH"	66.980151
"113769"	276.079702	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+2Cl"	69.938804
"554784"	396.634852	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+2Cl"	69.938804
"1024676"	155.524552	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2Cl"	69.938804
"1243160"	320.029185	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Br"	78.918885
"1306702"	322.085172	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Cl+HCOOH"	80.974872
"1320918"	344.067129	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Cl+NaCOOH"	102.956829
"913438"	354.095886	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M-H+CF3COOH"	112.985586
"1291602"	390.072564	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Cl+CF3COOH"	148.962264
"1368791"	206.097624	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H-2H2O"	-35.012676
"1389095"	224.1076	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H-H2O"	-17.0027
"285499"	483.227876	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+H"	1.007276
"679016"	724.338176	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+H"	1.007276
"1356457"	242.117576	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H"	1.007276
"127886"	242.117576	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+2H"	2.014552
"567446"	362.672726	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+2H"	2.014552
"1039164"	121.562426	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2H"	2.014552
"209987"	161.747476	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+3H"	3.021828
"648087"	242.117576	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+3H"	3.021828
"1166940"	81.377376	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+3H"	3.021828
"426200"	500.254423	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+NH4"	18.033823
"786827"	741.364723	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+NH4"	18.033823
"1682552"	259.144123	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+NH4"	18.033823
"330582"	250.6308495	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+H+NH4"	19.041099
"726780"	371.1859995	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+H+NH4"	19.041099
"1479871"	130.0756995	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H+NH4"	19.041099
"394906"	505.209818	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+Na"	22.989218
"758088"	746.320118	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+Na"	22.989218
"1608739"	264.099518	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Na"	22.989218
"321693"	253.108547	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+H+Na"	23.996494
"716312"	373.663697	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+H+Na"	23.996494
"1467945"	132.553397	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H+Na"	23.996494
"1063378"	88.70469	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2H+Na"	25.00377
"1269441"	274.143786	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+CH3OH+H"	33.033486
"389110"	521.183758	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+K"	38.963158
"752290"	762.294058	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+K"	38.963158
"1552889"	280.073458	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+K"	38.963158
"310064"	261.095517	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+H+K"	39.970434
"702851"	381.650667	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+H+K"	39.970434
"1455580"	140.540367	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H+K"	39.970434
"246005"	524.254426	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+ACN+H"	42.033826
"1221265"	283.144126	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+ACN+H"	42.033826
"1205148"	142.075701	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+ACN+2H"	43.041102
"199113"	527.19176	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+2Na-H"	44.97116
"639402"	768.30206	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+2Na-H"	44.97116
"1141084"	286.08146	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2Na-H"	44.97116
"185834"	264.099518	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+2Na"	45.978436
"626491"	384.654668	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+2Na"	45.978436
"1126349"	143.544368	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2Na"	45.978436
"1411337"	96.032004	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H+2Na"	46.985712
"1443819"	288.123046	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H+HCOOH"	47.012746
"235297"	269.13254	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+3H2O+2H"	56.04448
"1520848"	302.17509	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+IsoProp+H"	61.06479
"420535"	272.086488	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+Na+K"	61.952376
"782256"	392.641638	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+Na+K"	61.952376
"1678221"	151.531338	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Na+K"	61.952376
"262188"	546.236368	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+ACN+Na"	64.015768
"1237822"	305.126068	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+ACN+Na"	64.015768
"1724156"	305.149593	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+NH4+HCOOH"	64.039293
"1190240"	103.359318	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+3Na"	68.967654
"1665412"	310.104988	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Na+HCOOH"	68.994688
"171371"	559.13964	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+2K-H"	76.91904
"609470"	800.24994	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+2K-H"	76.91904
"1093254"	318.02934	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2K-H"	76.91904
"151892"	280.073458	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"2M+2K"	77.926316
"594005"	400.628608	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"3M+2K"	77.926316
"1079609"	159.518308	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2K"	77.926316
"1114767"	320.043892	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2K+H"	78.933592
"1351267"	320.131507	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+DMSO+H"	79.021207
"1017740"	324.170676	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2ACN+H"	83.060376
"1535866"	325.164308	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+IsoProp+Na+H"	84.054008
"1005310"	162.588976	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+2ACN+2H"	84.067652
"1602604"	326.078928	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+K+HCOOH"	84.968628
"1429860"	356.110438	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+H+CF3COOH"	115.000138
"1154951"	183.102251	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+3ACN+2H"	125.094202
"1701219"	373.136985	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+NH4+CF3COOH"	132.026685
"1645622"	378.09238	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+Na+CF3COOH"	136.98208
"1586739"	394.06632	"C10731"	"N-Methylflindersine;5H-Pyrano(32-c)quinolin-5-one 26-dihydro-226-trimethyl-"	"C15H15NO2"	"241.1103"	"M+K+CF3COOH"	152.95602
"807262"	316.1549	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M"	0
"984075"	297.13651	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-H2O-H"	-19.01839
"67942"	209.762657333333	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M-3H"	-3.021828
"503735"	315.147624	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M-3H"	-3.021828
"884209"	104.377690666667	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-3H"	-3.021828
"2783"	315.147624	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M-2H"	-2.014552
"441615"	473.225074	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M-2H"	-2.014552
"821242"	157.070174	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-2H"	-2.014552
"80871"	631.302524	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M-H"	-1.007276
"524077"	947.457424	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M-H"	-1.007276
"905161"	315.147624	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-H"	-1.007276
"57349"	648.329071	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M-2H+NH4"	16.019271
"498003"	964.483971	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M-2H+NH4"	16.019271
"875805"	332.174171	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-2H+NH4"	16.019271
"43705"	653.284466	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M-2H+Na"	20.974666
"475612"	969.439366	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M-2H+Na"	20.974666
"850131"	337.129566	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-2H+Na"	20.974666
"1620759"	337.129566	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Na-2H"	20.974666
"97286"	333.135963	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M-H+Cl"	33.962126
"535504"	491.213413	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M-H+Cl"	33.962126
"929995"	175.058513	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-H+Cl"	33.962126
"272928"	667.279202	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+Cl"	34.969402
"664987"	983.434102	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+Cl"	34.969402
"1275565"	351.124302	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Cl"	34.969402
"17634"	669.258406	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M-2H+K"	36.948606
"459510"	985.413306	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M-2H+K"	36.948606
"835486"	353.103506	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-2H+K"	36.948606
"1560798"	353.103506	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+K-2H"	36.948606
"945036"	361.153094	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-H+HCOOH"	44.998194
"364345"	677.308001	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+HCOOH-H"	44.998201
"348595"	691.323651	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+Hac-H"	59.013851
"1495239"	375.168751	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Hac-H"	59.013851
"962055"	383.135051	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-H+NaCOOH"	66.980151
"118982"	351.124302	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+2Cl"	69.938804
"557446"	509.201752	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+2Cl"	69.938804
"1024059"	193.046852	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2Cl"	69.938804
"1245096"	395.073785	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Br"	78.918885
"1307543"	397.129772	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Cl+HCOOH"	80.974872
"1321758"	419.111729	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Cl+NaCOOH"	102.956829
"912208"	429.140486	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M-H+CF3COOH"	112.985586
"1291712"	465.117164	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Cl+CF3COOH"	148.962264
"1367116"	281.142224	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H-2H2O"	-35.012676
"1388110"	299.1522	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H-H2O"	-17.0027
"285972"	633.317076	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+H"	1.007276
"678396"	949.471976	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+H"	1.007276
"1354014"	317.162176	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H"	1.007276
"128725"	317.162176	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+2H"	2.014552
"567556"	475.239626	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+2H"	2.014552
"1040003"	159.084726	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2H"	2.014552
"208638"	211.777209333333	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+3H"	3.021828
"650019"	317.162176	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+3H"	3.021828
"1167050"	106.392242666667	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+3H"	3.021828
"426674"	650.343623	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+NH4"	18.033823
"785965"	966.498523	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+NH4"	18.033823
"1682905"	334.188723	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+NH4"	18.033823
"331182"	325.6754495	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+H+NH4"	19.041099
"727254"	483.7528995	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+H+NH4"	19.041099
"1480345"	167.5979995	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H+NH4"	19.041099
"395380"	655.299018	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+Na"	22.989218
"757469"	971.453918	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+Na"	22.989218
"1608849"	339.144118	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Na"	22.989218
"319252"	328.153147	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+H+Na"	23.996494
"716422"	486.230597	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+H+Na"	23.996494
"1466962"	170.075697	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H+Na"	23.996494
"1060209"	113.719556666667	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2H+Na"	25.00377
"1269551"	349.188386	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+CH3OH+H"	33.033486
"391406"	671.272958	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+K"	38.963158
"752036"	987.427858	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+K"	38.963158
"1553729"	355.118058	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+K"	38.963158
"311269"	336.140117	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+H+K"	39.970434
"704056"	494.217567	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+H+K"	39.970434
"1459336"	178.062667	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H+K"	39.970434
"248303"	674.343626	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+ACN+H"	42.033826
"1222468"	358.188726	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+ACN+H"	42.033826
"1205987"	179.598001	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+ACN+2H"	43.041102
"198129"	677.28096	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+2Na-H"	44.97116
"640606"	993.43586	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+2Na-H"	44.97116
"1142288"	361.12606	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2Na-H"	44.97116
"187648"	339.144118	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+2Na"	45.978436
"626963"	497.221568	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+2Na"	45.978436
"1126459"	181.066668	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2Na"	45.978436
"1412904"	121.046870666667	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H+2Na"	46.985712
"1443563"	363.167646	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H+HCOOH"	47.012746
"233624"	344.17714	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+3H2O+2H"	56.04448
"1522051"	377.21969	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+IsoProp+H"	61.06479
"421010"	347.131088	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+Na+K"	61.952376
"781639"	505.208538	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+Na+K"	61.952376
"1675051"	189.053638	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Na+K"	61.952376
"260111"	696.325568	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+ACN+Na"	64.015768
"1238661"	380.170668	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+ACN+Na"	64.015768
"1724263"	380.194193	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+NH4+HCOOH"	64.039293
"1189257"	128.374184666667	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+3Na"	68.967654
"1665234"	385.149588	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Na+HCOOH"	68.994688
"172211"	709.22884	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+2K-H"	76.91904
"608851"	1025.38374	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+2K-H"	76.91904
"1094457"	393.07394	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2K-H"	76.91904
"152002"	355.118058	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"2M+2K"	77.926316
"591928"	513.195508	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"3M+2K"	77.926316
"1076073"	197.040608	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2K"	77.926316
"1113661"	395.088492	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2K+H"	78.933592
"1351279"	395.176107	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+DMSO+H"	79.021207
"1017850"	399.215276	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2ACN+H"	83.060376
"1538042"	400.208908	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+IsoProp+Na+H"	84.054008
"1004490"	200.111276	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+2ACN+2H"	84.067652
"1602438"	401.123528	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+K+HCOOH"	84.968628
"1428780"	431.155038	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+H+CF3COOH"	115.000138
"1156155"	220.624551	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+3ACN+2H"	125.094202
"1701329"	448.181585	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+NH4+CF3COOH"	132.026685
"1649012"	453.13698	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+Na+CF3COOH"	136.98208
"1586849"	469.11092	"C10732"	"O-Methylptelefolonium"	"C18H22NO4"	"316.1549"	"M+K+CF3COOH"	152.95602
"804092"	188.095	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M"	0
"987465"	169.07661	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-H2O-H"	-19.01839
"73519"	124.389390666667	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M-3H"	-3.021828
"506154"	187.087724	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M-3H"	-3.021828
"885413"	61.6910573333333	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-3H"	-3.021828
"2164"	187.087724	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M-2H"	-2.014552
"445735"	281.135224	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M-2H"	-2.014552
"822446"	93.040224	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-2H"	-2.014552
"83533"	375.182724	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M-H"	-1.007276
"524187"	563.277724	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M-H"	-1.007276
"905270"	187.087724	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-H"	-1.007276
"54178"	392.209271	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M-2H+NH4"	16.019271
"502656"	580.304271	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M-2H+NH4"	16.019271
"878710"	204.114271	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-2H+NH4"	16.019271
"46489"	397.164666	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M-2H+Na"	20.974666
"481189"	585.259666	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M-2H+Na"	20.974666
"852428"	209.069666	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-2H+Na"	20.974666
"1624148"	209.069666	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Na-2H"	20.974666
"97396"	205.076063	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M-H+Cl"	33.962126
"536955"	299.123563	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M-H+Cl"	33.962126
"929012"	111.028563	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-H+Cl"	33.962126
"274497"	411.159402	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+Cl"	34.969402
"665826"	599.254402	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+Cl"	34.969402
"1276404"	223.064402	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Cl"	34.969402
"17866"	413.138606	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M-2H+K"	36.948606
"460351"	601.233606	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M-2H+K"	36.948606
"835961"	225.043606	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-2H+K"	36.948606
"1560545"	225.043606	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+K-2H"	36.948606
"945148"	233.093194	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-H+HCOOH"	44.998194
"363729"	421.188201	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+HCOOH-H"	44.998201
"348342"	435.203851	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+Hac-H"	59.013851
"1496080"	247.108851	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Hac-H"	59.013851
"963623"	255.075151	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-H+NaCOOH"	66.980151
"118364"	223.064402	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+2Cl"	69.938804
"556463"	317.111902	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+2Cl"	69.938804
"1026357"	129.016902	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2Cl"	69.938804
"1247029"	267.013885	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Br"	78.918885
"1309476"	269.069872	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Cl+HCOOH"	80.974872
"1322599"	291.051829	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Cl+NaCOOH"	102.956829
"912199"	301.080586	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M-H+CF3COOH"	112.985586
"1290365"	337.057264	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Cl+CF3COOH"	148.962264
"1368160"	153.082324	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H-2H2O"	-35.012676
"1390406"	171.0923	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H-H2O"	-17.0027
"286811"	377.197276	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+H"	1.007276
"677047"	565.292276	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+H"	1.007276
"1351382"	189.102276	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H"	1.007276
"125728"	189.102276	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+2H"	2.014552
"566085"	283.149776	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+2H"	2.014552
"1039015"	95.054776	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2H"	2.014552
"210569"	126.403942666667	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+3H"	3.021828
"648668"	189.102276	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+3H"	3.021828
"1170076"	63.7056093333333	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+3H"	3.021828
"426420"	394.223823	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+NH4"	18.033823
"785833"	582.318823	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+NH4"	18.033823
"1681680"	206.128823	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+NH4"	18.033823
"330318"	197.6155495	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+H+NH4"	19.041099
"726635"	291.6630495	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+H+NH4"	19.041099
"1483371"	103.5680495	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H+NH4"	19.041099
"397677"	399.179218	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+Na"	22.989218
"758673"	587.274218	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+Na"	22.989218
"1610782"	211.084218	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Na"	22.989218
"320820"	200.093247	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+H+Na"	23.996494
"714342"	294.140747	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+H+Na"	23.996494
"1470347"	106.045747	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H+Na"	23.996494
"1061411"	71.0329233333333	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2H+Na"	25.00377
"1271847"	221.128486	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+CH3OH+H"	33.033486
"391880"	415.153158	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+K"	38.963158
"750320"	603.248158	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+K"	38.963158
"1554196"	227.058158	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+K"	38.963158
"314064"	208.080217	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+H+K"	39.970434
"706806"	302.127717	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+H+K"	39.970434
"1458353"	114.032717	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H+K"	39.970434
"245132"	418.223826	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+ACN+H"	42.033826
"1221849"	230.128826	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+ACN+H"	42.033826
"1204275"	115.568051	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+ACN+2H"	43.041102
"197876"	421.16116	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+2Na-H"	44.97116
"640716"	609.25616	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+2Na-H"	44.97116
"1144220"	233.06616	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2Na-H"	44.97116
"187031"	211.084218	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+2Na"	45.978436
"626832"	305.131718	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+2Na"	45.978436
"1127662"	117.036718	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2Na"	45.978436
"1410463"	78.3602373333333	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H+2Na"	46.985712
"1440758"	235.107746	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H+HCOOH"	47.012746
"231548"	216.11724	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+3H2O+2H"	56.04448
"1519975"	249.15979	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+IsoProp+H"	61.06479
"418569"	219.071188	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+Na+K"	61.952376
"779928"	313.118688	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+Na+K"	61.952376
"1676982"	125.023688	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Na+K"	61.952376
"262408"	440.205768	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+ACN+Na"	64.015768
"1236218"	252.110768	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+ACN+Na"	64.015768
"1722553"	252.134293	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+NH4+HCOOH"	64.039293
"1190461"	85.6875513333333	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+3Na"	68.967654
"1662544"	257.089688	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Na+HCOOH"	68.994688
"169405"	453.10904	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+2K-H"	76.91904
"610055"	641.20404	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+2K-H"	76.91904
"1095660"	265.01404	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2K-H"	76.91904
"151383"	227.058158	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"2M+2K"	77.926316
"590944"	321.105658	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"3M+2K"	77.926316
"1076547"	133.010658	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2K"	77.926316
"1114015"	267.028592	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2K+H"	78.933592
"1349921"	267.116207	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+DMSO+H"	79.021207
"1015773"	271.155376	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2ACN+H"	83.060376
"1534991"	272.149008	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+IsoProp+Na+H"	84.054008
"1003626"	136.081326	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+2ACN+2H"	84.067652
"1601530"	273.063628	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+K+HCOOH"	84.968628
"1429619"	303.095138	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+H+CF3COOH"	115.000138
"1156265"	156.594601	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+3ACN+2H"	125.094202
"1700347"	320.121685	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+NH4+CF3COOH"	132.026685
"1649122"	325.07708	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+Na+CF3COOH"	136.98208
"1586959"	341.05102	"C10733"	"Peganine;Vasicine"	"C11H12N2O"	"188.095"	"M+K+CF3COOH"	152.95602
"804202"	290.1392	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M"	0
"984295"	271.12081	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-H2O-H"	-19.01839
"68162"	192.418857333333	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M-3H"	-3.021828
"505535"	289.131924	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M-3H"	-3.021828
"885523"	95.7057906666667	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-3H"	-3.021828
"1181"	289.131924	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M-2H"	-2.014552
"442565"	434.201524	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M-2H"	-2.014552
"823649"	144.062324	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-2H"	-2.014552
"81091"	579.271124	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M-H"	-1.007276
"525390"	869.410324	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M-H"	-1.007276
"903193"	289.131924	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-H"	-1.007276
"51008"	596.297671	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M-2H+NH4"	16.019271
"494943"	886.436871	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M-2H+NH4"	16.019271
"876025"	306.158471	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-2H+NH4"	16.019271
"43925"	601.253066	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M-2H+Na"	20.974666
"478019"	891.392266	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M-2H+Na"	20.974666
"852538"	311.113866	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-2H+Na"	20.974666
"1624258"	311.113866	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Na-2H"	20.974666
"99693"	307.120263	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M-H+Cl"	33.962126
"540345"	452.189863	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M-H+Cl"	33.962126
"932039"	162.050663	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-H+Cl"	33.962126
"274607"	615.247802	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+Cl"	34.969402
"665208"	905.387002	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+Cl"	34.969402
"1278338"	325.108602	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Cl"	34.969402
"19435"	617.227006	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M-2H+K"	36.948606
"461189"	907.366206	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M-2H+K"	36.948606
"834979"	327.087806	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-2H+K"	36.948606
"1562841"	327.087806	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+K-2H"	36.948606
"947445"	335.137394	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-H+HCOOH"	44.998194
"363839"	625.276601	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+HCOOH-H"	44.998201
"350639"	639.292251	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+Hac-H"	59.013851
"1496191"	349.153051	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Hac-H"	59.013851
"962640"	357.119351	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-H+NaCOOH"	66.980151
"118109"	325.108602	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+2Cl"	69.938804
"556575"	470.178202	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+2Cl"	69.938804
"1028656"	180.039002	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2Cl"	69.938804
"1250421"	369.058085	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Br"	78.918885
"1309589"	371.114072	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Cl+HCOOH"	80.974872
"1323805"	393.096029	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Cl+NaCOOH"	102.956829
"912674"	403.124786	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M-H+CF3COOH"	112.985586
"1291571"	439.101464	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Cl+CF3COOH"	148.962264
"1369000"	255.126524	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H-2H2O"	-35.012676
"1390516"	273.1365	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H-H2O"	-17.0027
"288014"	581.285676	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+H"	1.007276
"679343"	871.424876	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+H"	1.007276
"1352411"	291.146476	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H"	1.007276
"130767"	291.146476	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+2H"	2.014552
"568140"	436.216076	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+2H"	2.014552
"1040218"	146.076876	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2H"	2.014552
"210315"	194.433409333333	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+3H"	3.021828
"647685"	291.146476	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+3H"	3.021828
"1167999"	97.7203426666667	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+3H"	3.021828
"428716"	598.312223	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+NH4"	18.033823
"786431"	888.451423	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+NH4"	18.033823
"1681498"	308.173023	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+NH4"	18.033823
"331402"	299.6597495	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+H+NH4"	19.041099
"722889"	444.7293495	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+H+NH4"	19.041099
"1477769"	154.5901495	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H+NH4"	19.041099
"393410"	603.267618	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+Na"	22.989218
"754477"	893.406818	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+Na"	22.989218
"1604693"	313.128418	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Na"	22.989218
"319835"	302.137447	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+H+Na"	23.996494
"714450"	447.207047	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+H+Na"	23.996494
"1469358"	157.067847	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H+Na"	23.996494
"1054108"	105.047656666667	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2H+Na"	25.00377
"1269768"	323.172686	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+CH3OH+H"	33.033486
"389434"	619.241558	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+K"	38.963158
"744962"	909.380758	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+K"	38.963158
"1554306"	329.102358	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+K"	38.963158
"313638"	310.124417	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+H+K"	39.970434
"704641"	455.194017	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+H+K"	39.970434
"1457004"	165.054817	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H+K"	39.970434
"245605"	622.312226	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+ACN+H"	42.033826
"1221593"	332.173026	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+ACN+H"	42.033826
"1200012"	166.590151	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+ACN+2H"	43.041102
"196164"	625.24956	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+2Na-H"	44.97116
"634992"	915.38876	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+2Na-H"	44.97116
"1138498"	335.11036	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2Na-H"	44.97116
"183610"	313.128418	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+2Na"	45.978436
"624264"	458.198018	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+2Na"	45.978436
"1129836"	168.058818	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2Na"	45.978436
"1412030"	112.374970666667	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H+2Na"	46.985712
"1443415"	337.151946	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H+HCOOH"	47.012746
"232020"	318.16144	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+3H2O+2H"	56.04448
"1518990"	351.20399	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+IsoProp+H"	61.06479
"415391"	321.115388	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+Na+K"	61.952376
"779663"	466.184988	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+Na+K"	61.952376
"1678181"	176.045788	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Na+K"	61.952376
"259233"	644.294168	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+ACN+Na"	64.015768
"1237785"	354.154968	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+ACN+Na"	64.015768
"1724118"	354.178493	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+NH4+HCOOH"	64.039293
"1188383"	119.702284666667	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+3Na"	68.967654
"1657182"	359.133888	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Na+HCOOH"	68.994688
"166230"	657.19744	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+2K-H"	76.91904
"607973"	947.33664	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+2K-H"	76.91904
"1094677"	367.05824	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2K-H"	76.91904
"149306"	329.102358	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"2M+2K"	77.926316
"589961"	474.171958	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"3M+2K"	77.926316
"1076657"	184.032758	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2K"	77.926316
"1106587"	369.072792	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2K+H"	78.933592
"1348444"	369.160407	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+DMSO+H"	79.021207
"1016976"	373.199576	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2ACN+H"	83.060376
"1535102"	374.193208	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+IsoProp+Na+H"	84.054008
"1002277"	187.103426	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+2ACN+2H"	84.067652
"1600060"	375.107828	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+K+HCOOH"	84.968628
"1422800"	405.139338	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+H+CF3COOH"	115.000138
"1152000"	207.616701	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+3ACN+2H"	125.094202
"1699364"	422.165885	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+NH4+CF3COOH"	132.026685
"1649232"	427.12128	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+Na+CF3COOH"	136.98208
"1577228"	443.09522	"C10734"	"Pteleatine"	"C16H20NO4"	"290.1392"	"M+K+CF3COOH"	152.95602
"807592"	290.1392	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M"	0
"984405"	271.12081	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-H2O-H"	-19.01839
"68272"	192.418857333333	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M-3H"	-3.021828
"506739"	289.131924	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M-3H"	-3.021828
"885634"	95.7057906666667	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-3H"	-3.021828
"3115"	289.131924	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M-2H"	-2.014552
"442674"	434.201524	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M-2H"	-2.014552
"822666"	144.062324	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-2H"	-2.014552
"84847"	579.271124	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M-H"	-1.007276
"525500"	869.410324	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M-H"	-1.007276
"902210"	289.131924	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-H"	-1.007276
"51482"	596.297671	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M-2H+NH4"	16.019271
"495053"	886.436871	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M-2H+NH4"	16.019271
"872855"	306.158471	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-2H+NH4"	16.019271
"40755"	601.253066	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M-2H+Na"	20.974666
"478130"	891.392266	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M-2H+Na"	20.974666
"852650"	311.113866	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-2H+Na"	20.974666
"1623276"	311.113866	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Na-2H"	20.974666
"99804"	307.120263	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M-H+Cl"	33.962126
"540457"	452.189863	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M-H+Cl"	33.962126
"935067"	162.050663	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-H+Cl"	33.962126
"277999"	615.247802	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+Cl"	34.969402
"663861"	905.387002	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+Cl"	34.969402
"1277354"	325.108602	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Cl"	34.969402
"19181"	617.227006	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M-2H+K"	36.948606
"460571"	907.366206	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M-2H+K"	36.948606
"833631"	327.087806	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-2H+K"	36.948606
"1556757"	327.087806	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+K-2H"	36.948606
"943547"	335.137394	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-H+HCOOH"	44.998194
"361924"	625.276601	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+HCOOH-H"	44.998201
"349656"	639.292251	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+Hac-H"	59.013851
"1494115"	349.153051	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Hac-H"	59.013851
"963845"	357.119351	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-H+NaCOOH"	66.980151
"121136"	325.108602	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+2Cl"	69.938804
"558872"	470.178202	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+2Cl"	69.938804
"1031683"	180.039002	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2Cl"	69.938804
"1251625"	369.058085	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Br"	78.918885
"1312980"	371.114072	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Cl+HCOOH"	80.974872
"1326103"	393.096029	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Cl+NaCOOH"	102.956829
"912787"	403.124786	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M-H+CF3COOH"	112.985586
"1293868"	439.101464	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Cl+CF3COOH"	148.962264
"1369843"	255.126524	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H-2H2O"	-35.012676
"1388438"	273.1365	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H-H2O"	-17.0027
"285936"	581.285676	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+H"	1.007276
"678358"	871.424876	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+H"	1.007276
"1354708"	291.146476	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H"	1.007276
"127597"	291.146476	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+2H"	2.014552
"570437"	436.216076	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+2H"	2.014552
"1042515"	146.076876	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2H"	2.014552
"210425"	194.433409333333	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+3H"	3.021828
"647065"	291.146476	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+3H"	3.021828
"1168474"	97.7203426666667	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+3H"	3.021828
"428463"	598.312223	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+NH4"	18.033823
"787634"	888.451423	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+NH4"	18.033823
"1681894"	308.173023	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+NH4"	18.033823
"331512"	299.6597495	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+H+NH4"	19.041099
"724179"	444.7293495	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+H+NH4"	19.041099
"1477196"	154.5901495	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H+NH4"	19.041099
"393276"	603.267618	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+Na"	22.989218
"754673"	893.406818	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+Na"	22.989218
"1605531"	313.128418	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Na"	22.989218
"315932"	302.137447	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+H+Na"	23.996494
"714560"	447.207047	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+H+Na"	23.996494
"1468375"	157.067847	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H+Na"	23.996494
"1054097"	105.047656666667	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2H+Na"	25.00377
"1267327"	323.172686	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+CH3OH+H"	33.033486
"388087"	619.241558	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+K"	38.963158
"745072"	909.380758	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+K"	38.963158
"1554416"	329.102358	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+K"	38.963158
"313058"	310.124417	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+H+K"	39.970434
"705480"	455.194017	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+H+K"	39.970434
"1457114"	165.054817	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H+K"	39.970434
"248268"	622.312226	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+ACN+H"	42.033826
"1223526"	332.173026	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+ACN+H"	42.033826
"1202308"	166.590151	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+ACN+2H"	43.041102
"194087"	625.24956	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+2Na-H"	44.97116
"634008"	915.38876	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+2Na-H"	44.97116
"1138244"	335.11036	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2Na-H"	44.97116
"183720"	313.128418	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+2Na"	45.978436
"624374"	458.198018	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+2Na"	45.978436
"1124600"	168.058818	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2Na"	45.978436
"1411776"	112.374970666667	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H+2Na"	46.985712
"1443890"	337.151946	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H+HCOOH"	47.012746
"231038"	318.16144	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+3H2O+2H"	56.04448
"1518007"	351.20399	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+IsoProp+H"	61.06479
"413314"	321.115388	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+Na+K"	61.952376
"778680"	466.184988	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+Na+K"	61.952376
"1677198"	176.045788	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Na+K"	61.952376
"263716"	644.294168	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+ACN+Na"	64.015768
"1236435"	354.154968	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+ACN+Na"	64.015768
"1722041"	354.178493	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+NH4+HCOOH"	64.039293
"1187397"	119.702284666667	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+3Na"	68.967654
"1657292"	359.133888	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Na+HCOOH"	68.994688
"166339"	657.19744	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+2K-H"	76.91904
"606989"	947.33664	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+2K-H"	76.91904
"1094787"	367.05824	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2K-H"	76.91904
"150509"	329.102358	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"2M+2K"	77.926316
"590071"	474.171958	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"3M+2K"	77.926316
"1075674"	184.032758	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2K"	77.926316
"1106697"	369.072792	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2K+H"	78.933592
"1346359"	369.160407	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+DMSO+H"	79.021207
"1017085"	373.199576	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2ACN+H"	83.060376
"1538125"	374.193208	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+IsoProp+Na+H"	84.054008
"1001657"	187.103426	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+2ACN+2H"	84.067652
"1600533"	375.107828	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+K+HCOOH"	84.968628
"1419630"	405.139338	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+H+CF3COOH"	115.000138
"1152110"	207.616701	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+3ACN+2H"	125.094202
"1699474"	422.165885	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+NH4+CF3COOH"	132.026685
"1648979"	427.12128	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+Na+CF3COOH"	136.98208
"1578431"	443.09522	"C10735"	"Ribalinium"	"C16H20NO4"	"290.1392"	"M+K+CF3COOH"	152.95602
"807702"	215.0582	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M"	0
"984515"	196.03981	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-H2O-H"	-19.01839
"68382"	142.364857333333	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M-3H"	-3.021828
"505756"	214.050924	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M-3H"	-3.021828
"883557"	70.6787906666667	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-3H"	-3.021828
"3225"	214.050924	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M-2H"	-2.014552
"442784"	321.580024	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M-2H"	-2.014552
"820953"	106.521824	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-2H"	-2.014552
"83864"	429.109124	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M-H"	-1.007276
"524517"	644.167324	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M-H"	-1.007276
"902320"	214.050924	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-H"	-1.007276
"51592"	446.135671	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M-2H+NH4"	16.019271
"495163"	661.193871	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M-2H+NH4"	16.019271
"872965"	231.077471	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-2H+NH4"	16.019271
"40865"	451.091066	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M-2H+Na"	20.974666
"479333"	666.149266	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M-2H+Na"	20.974666
"856040"	236.032866	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-2H+Na"	20.974666
"1624480"	236.032866	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Na-2H"	20.974666
"102101"	232.039263	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M-H+Cl"	33.962126
"541660"	339.568363	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M-H+Cl"	33.962126
"934083"	124.510163	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-H+Cl"	33.962126
"274829"	465.085802	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+Cl"	34.969402
"662876"	680.144002	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+Cl"	34.969402
"1277464"	250.027602	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Cl"	34.969402
"20385"	467.065006	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M-2H+K"	36.948606
"456670"	682.123206	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M-2H+K"	36.948606
"834466"	252.006806	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-2H+K"	36.948606
"1556256"	252.006806	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+K-2H"	36.948606
"943777"	260.056394	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-H+HCOOH"	44.998194
"363330"	475.114601	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+HCOOH-H"	44.998201
"347214"	489.130251	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+Hac-H"	59.013851
"1493495"	274.072051	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Hac-H"	59.013851
"963955"	282.038351	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-H+NaCOOH"	66.980151
"120517"	250.027602	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+2Cl"	69.938804
"556795"	357.556702	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+2Cl"	69.938804
"1028876"	142.498502	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2Cl"	69.938804
"1252828"	293.977085	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Br"	78.918885
"1314183"	296.033072	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Cl+HCOOH"	80.974872
"1327306"	318.015029	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Cl+NaCOOH"	102.956829
"916177"	328.043786	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M-H+CF3COOH"	112.985586
"1296165"	364.020464	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Cl+CF3COOH"	148.962264
"1372140"	180.045524	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H-2H2O"	-35.012676
"1386362"	198.0555	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H-H2O"	-17.0027
"286046"	431.123676	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+H"	1.007276
"679561"	646.181876	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+H"	1.007276
"1355911"	216.065476	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H"	1.007276
"126612"	216.065476	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+2H"	2.014552
"569454"	323.594576	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+2H"	2.014552
"1039345"	108.536376	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2H"	2.014552
"210899"	144.379409333333	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+3H"	3.021828
"648633"	216.065476	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+3H"	3.021828
"1167855"	72.6933426666667	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+3H"	3.021828
"427844"	448.150223	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+NH4"	18.033823
"786772"	663.208423	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+NH4"	18.033823
"1681640"	233.092023	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+NH4"	18.033823
"332715"	224.5787495	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+H+NH4"	19.041099
"723317"	332.1078495	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+H+NH4"	19.041099
"1477376"	117.0496495	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H+NH4"	19.041099
"393508"	453.105618	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+Na"	22.989218
"755352"	668.163818	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+Na"	22.989218
"1605642"	238.047418	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Na"	22.989218
"315316"	227.056447	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+H+Na"	23.996494
"713577"	334.585547	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+H+Na"	23.996494
"1467756"	119.527347	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H+Na"	23.996494
"1055179"	80.0206566666667	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2H+Na"	25.00377
"1265612"	248.091686	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+CH3OH+H"	33.033486
"386374"	469.079558	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+K"	38.963158
"744089"	684.137758	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+K"	38.963158
"1553433"	254.021358	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+K"	38.963158
"312804"	235.043417	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+H+K"	39.970434
"703767"	342.572517	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+H+K"	39.970434
"1455766"	127.514317	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H+K"	39.970434
"245461"	472.150226	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+ACN+H"	42.033826
"1222179"	257.092026	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+ACN+H"	42.033826
"1198406"	129.049651	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+ACN+2H"	43.041102
"193100"	475.08756	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+2Na-H"	44.97116
"631564"	690.14576	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+2Na-H"	44.97116
"1136167"	260.02936	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2Na-H"	44.97116
"178362"	238.047418	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+2Na"	45.978436
"621204"	345.576518	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+2Na"	45.978436
"1124709"	130.518318	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2Na"	45.978436
"1410060"	87.3479706666667	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H+2Na"	46.985712
"1440352"	262.070946	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H+HCOOH"	47.012746
"232239"	243.08044	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+3H2O+2H"	56.04448
"1519206"	276.12299	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+IsoProp+H"	61.06479
"414517"	246.034388	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+Na+K"	61.952376
"776603"	353.563488	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+Na+K"	61.952376
"1676214"	138.505288	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Na+K"	61.952376
"259453"	494.132168	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+ACN+Na"	64.015768
"1236180"	279.073968	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+ACN+Na"	64.015768
"1719961"	279.097493	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+NH4+HCOOH"	64.039293
"1186414"	94.6752846666667	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+3Na"	68.967654
"1657402"	284.052888	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Na+HCOOH"	68.994688
"165356"	507.03544	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+2K-H"	76.91904
"604912"	722.09364	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+2K-H"	76.91904
"1093804"	291.97724	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2K-H"	76.91904
"150619"	254.021358	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"2M+2K"	77.926316
"590181"	361.550458	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"3M+2K"	77.926316
"1074691"	146.492258	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2K"	77.926316
"1106807"	293.991792	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2K+H"	78.933592
"1344282"	294.079407	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+DMSO+H"	79.021207
"1017195"	298.118576	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2ACN+H"	83.060376
"1539328"	299.112208	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+IsoProp+Na+H"	84.054008
"1001767"	149.562926	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+2ACN+2H"	84.067652
"1600643"	300.026828	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+K+HCOOH"	84.968628
"1419740"	330.058338	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+H+CF3COOH"	115.000138
"1152220"	170.076201	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+3ACN+2H"	125.094202
"1699584"	347.084885	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+NH4+CF3COOH"	132.026685
"1649697"	352.04028	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+Na+CF3COOH"	136.98208
"1578541"	368.01422	"C10736"	"Robustine;Furo(23-b)quinolin-8-ol 4-methoxy-"	"C12H9NO3"	"215.0582"	"M+K+CF3COOH"	152.95602
"807812"	488.1319	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M"	0
"984625"	469.11351	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-H2O-H"	-19.01839
"68492"	324.413990666667	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M-3H"	-3.021828
"505866"	487.124624	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M-3H"	-3.021828
"883667"	161.703357333333	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-3H"	-3.021828
"3335"	487.124624	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M-2H"	-2.014552
"443987"	731.190574	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M-2H"	-2.014552
"821792"	243.058674	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-2H"	-2.014552
"83974"	975.256524	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M-H"	-1.007276
"522440"	1463.388424	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M-H"	-1.007276
"901334"	487.124624	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-H"	-1.007276
"51336"	992.283071	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M-2H+NH4"	16.019271
"489314"	1480.414971	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M-2H+NH4"	16.019271
"873074"	504.151171	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-2H+NH4"	16.019271
"32710"	997.238466	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M-2H+Na"	20.974666
"478349"	1485.370366	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M-2H+Na"	20.974666
"849952"	509.106566	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-2H+Na"	20.974666
"1623495"	509.106566	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Na-2H"	20.974666
"101118"	505.112963	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M-H+Cl"	33.962126
"541771"	749.178913	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M-H+Cl"	33.962126
"933099"	261.047013	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-H+Cl"	33.962126
"277125"	1011.233202	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+Cl"	34.969402
"662619"	1499.365102	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+Cl"	34.969402
"1276480"	523.101302	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Cl"	34.969402
"19401"	1013.212406	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M-2H+K"	36.948606
"457875"	1501.344306	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M-2H+K"	36.948606
"834941"	525.080506	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-2H+K"	36.948606
"1556361"	525.080506	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+K-2H"	36.948606
"944245"	533.130094	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-H+HCOOH"	44.998194
"362704"	1021.262001	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+HCOOH-H"	44.998201
"348783"	1035.277651	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+Hac-H"	59.013851
"1494331"	547.145751	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Hac-H"	59.013851
"959932"	555.112051	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-H+NaCOOH"	66.980151
"119533"	523.101302	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+2Cl"	69.938804
"554718"	767.167252	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+2Cl"	69.938804
"1027893"	279.035352	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2Cl"	69.938804
"1252938"	567.050785	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Br"	78.918885
"1312107"	569.106772	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Cl+HCOOH"	80.974872
"1331790"	591.088729	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Cl+NaCOOH"	102.956829
"918474"	601.117486	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M-H+CF3COOH"	112.985586
"1300649"	637.094164	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Cl+CF3COOH"	148.962264
"1375530"	453.119224	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H-2H2O"	-35.012676
"1388658"	471.1292	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H-H2O"	-17.0027
"283970"	977.271076	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+H"	1.007276
"677481"	1465.402976	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+H"	1.007276
"1352738"	489.139176	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H"	1.007276
"126723"	489.139176	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+2H"	2.014552
"570656"	733.205126	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+2H"	2.014552
"1039455"	245.073226	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2H"	2.014552
"211738"	326.428542666667	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+3H"	3.021828
"645100"	489.139176	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+3H"	3.021828
"1165779"	163.717909333333	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+3H"	3.021828
"425525"	994.297623	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+NH4"	18.033823
"786067"	1482.429523	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+NH4"	18.033823
"1682360"	506.165723	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+NH4"	18.033823
"331731"	497.6524495	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+H+NH4"	19.041099
"724153"	741.7183995	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+H+NH4"	19.041099
"1477486"	253.5864995	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H+NH4"	19.041099
"393498"	999.253018	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+Na"	22.989218
"755826"	1487.384918	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+Na"	22.989218
"1605384"	511.121118	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Na"	22.989218
"316512"	500.130147	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+H+Na"	23.996494
"711861"	744.196097	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+H+Na"	23.996494
"1467501"	256.064197	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H+Na"	23.996494
"1056382"	171.045223333333	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2H+Na"	25.00377
"1264628"	521.165386	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+CH3OH+H"	33.033486
"384298"	1015.226958	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+K"	38.963158
"742376"	1503.358858	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+K"	38.963158
"1552449"	527.095058	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+K"	38.963158
"309634"	508.117117	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+H+K"	39.970434
"702055"	752.183067	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+H+K"	39.970434
"1451866"	264.051167	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H+K"	39.970434
"242654"	1018.297626	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+ACN+H"	42.033826
"1218643"	530.165726	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+ACN+H"	42.033826
"1197058"	265.586501	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+ACN+2H"	43.041102
"192482"	1021.23496	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+2Na-H"	44.97116
"630582"	1509.36686	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+2Na-H"	44.97116
"1132631"	533.10306	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2Na-H"	44.97116
"178472"	511.121118	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+2Na"	45.978436
"618398"	755.187068	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+2Na"	45.978436
"1124819"	267.055168	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2Na"	45.978436
"1401786"	178.372537333333	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H+2Na"	46.985712
"1432442"	535.144646	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H+HCOOH"	47.012746
"227974"	516.15414	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+3H2O+2H"	56.04448
"1518222"	549.19669	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+IsoProp+H"	61.06479
"413533"	519.108088	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+Na+K"	61.952376
"774890"	763.174038	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+Na+K"	61.952376
"1674137"	275.042138	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Na+K"	61.952376
"259563"	1040.279568	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+ACN+Na"	64.015768
"1235196"	552.147668	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+ACN+Na"	64.015768
"1721163"	552.171193	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+NH4+HCOOH"	64.039293
"1185430"	185.699851333333	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+3Na"	68.967654
"1658601"	557.126588	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Na+HCOOH"	68.994688
"162186"	1053.18284	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+2K-H"	76.91904
"605022"	1541.31474	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+2K-H"	76.91904
"1095007"	565.05094	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2K-H"	76.91904
"149635"	527.095058	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"2M+2K"	77.926316
"590291"	771.161008	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"3M+2K"	77.926316
"1075894"	283.029108	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2K"	77.926316
"1106917"	567.065492	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2K+H"	78.933592
"1344392"	567.153107	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+DMSO+H"	79.021207
"1018398"	571.192276	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2ACN+H"	83.060376
"1537615"	572.185908	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+IsoProp+Na+H"	84.054008
"999689"	286.099776	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+2ACN+2H"	84.067652
"1597473"	573.100528	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+K+HCOOH"	84.968628
"1419850"	603.132038	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+H+CF3COOH"	115.000138
"1152330"	306.613051	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+3ACN+2H"	125.094202
"1699694"	620.158585	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+NH4+CF3COOH"	132.026685
"1649443"	625.11398	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+Na+CF3COOH"	136.98208
"1578651"	641.08792	"C10737"	"Phrymarolin I"	"C24H24O11"	"488.1319"	"M+K+CF3COOH"	152.95602
"816308"	307.1208	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M"	0
"989721"	288.10241	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-H2O-H"	-19.01839
"74070"	203.739924	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M-3H"	-3.021828
"511445"	306.113524	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M-3H"	-3.021828
"889245"	101.366324	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-3H"	-3.021828
"6726"	306.113524	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M-2H"	-2.014552
"446287"	459.673924	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M-2H"	-2.014552
"820809"	152.553124	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-2H"	-2.014552
"84084"	613.234324	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M-H"	-1.007276
"521457"	920.355124	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M-H"	-1.007276
"900351"	306.113524	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-H"	-1.007276
"51446"	630.260871	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M-2H+NH4"	16.019271
"489061"	937.381671	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M-2H+NH4"	16.019271
"872091"	323.140071	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-2H+NH4"	16.019271
"33671"	635.216266	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M-2H+Na"	20.974666
"478459"	942.337066	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M-2H+Na"	20.974666
"850183"	328.095466	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-2H+Na"	20.974666
"1621420"	328.095466	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Na-2H"	20.974666
"99041"	324.101863	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M-H+Cl"	33.962126
"541881"	477.662263	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M-H+Cl"	33.962126
"929929"	170.541463	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-H+Cl"	33.962126
"278328"	649.211002	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+Cl"	34.969402
"662121"	956.331802	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+Cl"	34.969402
"1276955"	342.090202	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Cl"	34.969402
"18051"	651.190206	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M-2H+K"	36.948606
"457985"	958.311006	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M-2H+K"	36.948606
"835778"	344.069406	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-2H+K"	36.948606
"1557806"	344.069406	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+K-2H"	36.948606
"944355"	352.118994	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-H+HCOOH"	44.998194
"362938"	659.239801	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+HCOOH-H"	44.998201
"347800"	673.255451	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+Hac-H"	59.013851
"1495539"	366.134651	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Hac-H"	59.013851
"961987"	374.100951	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-H+NaCOOH"	66.980151
"120373"	342.090202	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+2Cl"	69.938804
"553735"	495.650602	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+2Cl"	69.938804
"1028003"	188.529802	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2Cl"	69.938804
"1248675"	386.039685	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Br"	78.918885
"1315497"	388.095672	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Cl+HCOOH"	80.974872
"1328620"	410.077629	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Cl+NaCOOH"	102.956829
"919679"	420.106386	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M-H+CF3COOH"	112.985586
"1299666"	456.083064	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Cl+CF3COOH"	148.962264
"1375641"	272.108124	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H-2H2O"	-35.012676
"1385488"	290.1181	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H-H2O"	-17.0027
"283713"	615.248876	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+H"	1.007276
"677592"	922.369676	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+H"	1.007276
"1352848"	308.128076	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H"	1.007276
"129018"	308.128076	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+2H"	2.014552
"575140"	461.688476	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+2H"	2.014552
"1039202"	154.567676	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2H"	2.014552
"206374"	205.754476	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+3H"	3.021828
"645573"	308.128076	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+3H"	3.021828
"1166983"	103.380876	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+3H"	3.021828
"424538"	632.275423	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+NH4"	18.033823
"785732"	939.396223	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+NH4"	18.033823
"1682471"	325.154623	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+NH4"	18.033823
"332936"	316.6413495	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+H+NH4"	19.041099
"723535"	470.2017495	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+H+NH4"	19.041099
"1478451"	163.0809495	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H+NH4"	19.041099
"395309"	637.230818	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+Na"	22.989218
"756302"	944.351618	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+Na"	22.989218
"1606225"	330.110018	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Na"	22.989218
"317718"	319.119047	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+H+Na"	23.996494
"708813"	472.679447	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+H+Na"	23.996494
"1465425"	165.558647	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H+Na"	23.996494
"1058678"	110.70819	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2H+Na"	25.00377
"1264738"	340.154286	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+CH3OH+H"	33.033486
"385501"	653.204758	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+K"	38.963158
"741757"	960.325558	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+K"	38.963158
"1546362"	346.083958	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+K"	38.963158
"313023"	327.106017	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+H+K"	39.970434
"705445"	480.666417	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+H+K"	39.970434
"1453070"	173.545617	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H+K"	39.970434
"248231"	656.275426	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+ACN+H"	42.033826
"1219847"	349.154626	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+ACN+H"	42.033826
"1196077"	175.080951	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+ACN+2H"	43.041102
"191498"	659.21276	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+2Na-H"	44.97116
"635067"	966.33356	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+2Na-H"	44.97116
"1138575"	352.09196	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2Na-H"	44.97116
"181864"	330.110018	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+2Na"	45.978436
"624705"	483.670418	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+2Na"	45.978436
"1124931"	176.549618	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2Na"	45.978436
"1401896"	118.035504	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H+2Na"	46.985712
"1435106"	354.133546	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H+HCOOH"	47.012746
"224803"	335.14304	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+3H2O+2H"	56.04448
"1512864"	368.18559	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+IsoProp+H"	61.06479
"414736"	338.096988	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+Na+K"	61.952376
"772450"	491.657388	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+Na+K"	61.952376
"1670967"	184.536588	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Na+K"	61.952376
"258578"	678.257368	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+ACN+Na"	64.015768
"1234576"	371.136568	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+ACN+Na"	64.015768
"1720179"	371.160093	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+NH4+HCOOH"	64.039293
"1186633"	125.362818	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+3Na"	68.967654
"1655431"	376.115488	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Na+HCOOH"	68.994688
"165575"	691.16064	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+2K-H"	76.91904
"605133"	998.28144	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+2K-H"	76.91904
"1098399"	384.03984	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2K-H"	76.91904
"150841"	346.083958	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"2M+2K"	77.926316
"595748"	499.644358	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"3M+2K"	77.926316
"1078193"	192.523558	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2K"	77.926316
"1107028"	386.054392	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2K+H"	78.933592
"1346692"	386.142007	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+DMSO+H"	79.021207
"1020210"	390.181176	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2ACN+H"	83.060376
"1535538"	391.174808	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+IsoProp+Na+H"	84.054008
"1001985"	195.594226	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+2ACN+2H"	84.067652
"1598676"	392.089428	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+K+HCOOH"	84.968628
"1423242"	422.120938	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+H+CF3COOH"	115.000138
"1157908"	216.107501	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+3ACN+2H"	125.094202
"1703085"	439.147485	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+NH4+CF3COOH"	132.026685
"1646392"	444.10288	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+Na+CF3COOH"	136.98208
"1580948"	460.07682	"C10738"	"Rutacridone"	"C19H17NO3"	"307.1208"	"M+K+CF3COOH"	152.95602
"814593"	323.1158	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M"	0
"984845"	304.09741	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-H2O-H"	-19.01839
"70900"	214.403257333333	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M-3H"	-3.021828
"513742"	322.108524	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M-3H"	-3.021828
"889355"	106.697990666667	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-3H"	-3.021828
"6836"	322.108524	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M-2H"	-2.014552
"448584"	483.666424	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M-2H"	-2.014552
"821283"	160.550624	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-2H"	-2.014552
"87474"	645.224324	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M-H"	-1.007276
"528127"	968.340124	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M-H"	-1.007276
"902648"	322.108524	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-H"	-1.007276
"54836"	662.250871	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M-2H+NH4"	16.019271
"495489"	985.366671	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M-2H+NH4"	16.019271
"873293"	339.135071	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-2H+NH4"	16.019271
"37913"	667.206266	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M-2H+Na"	20.974666
"474194"	990.322066	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M-2H+Na"	20.974666
"850901"	344.090466	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-2H+Na"	20.974666
"1621530"	344.090466	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Na-2H"	20.974666
"98059"	340.096863	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M-H+Cl"	33.962126
"545271"	501.654763	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M-H+Cl"	33.962126
"930038"	178.538963	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-H+Cl"	33.962126
"276250"	681.201002	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+Cl"	34.969402
"662112"	1004.316802	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+Cl"	34.969402
"1276333"	358.085202	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Cl"	34.969402
"17188"	683.180206	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M-2H+K"	36.948606
"458825"	1006.296006	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M-2H+K"	36.948606
"835162"	360.064406	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-2H+K"	36.948606
"1557193"	360.064406	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+K-2H"	36.948606
"943860"	368.113994	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-H+HCOOH"	44.998194
"362924"	691.229801	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+HCOOH-H"	44.998201
"349000"	705.245451	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+Hac-H"	59.013851
"1493824"	382.129651	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Hac-H"	59.013851
"964283"	390.095951	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-H+NaCOOH"	66.980151
"119752"	358.085202	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+2Cl"	69.938804
"552751"	519.643102	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+2Cl"	69.938804
"1029206"	196.527302	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2Cl"	69.938804
"1251700"	402.034685	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Br"	78.918885
"1315607"	404.090672	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Cl+HCOOH"	80.974872
"1329823"	426.072629	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Cl+NaCOOH"	102.956829
"919788"	436.101386	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M-H+CF3COOH"	112.985586
"1299776"	472.078064	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Cl+CF3COOH"	148.962264
"1375751"	288.103124	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H-2H2O"	-35.012676
"1393252"	306.1131	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H-H2O"	-17.0027
"286378"	647.238876	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+H"	1.007276
"678797"	970.354676	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+H"	1.007276
"1355145"	324.123076	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H"	1.007276
"134596"	324.123076	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+2H"	2.014552
"578166"	485.680976	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+2H"	2.014552
"1045145"	162.565176	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2H"	2.014552
"209037"	216.417809333333	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+3H"	3.021828
"647869"	324.123076	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+3H"	3.021828
"1166363"	108.712542666667	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+3H"	3.021828
"427809"	664.265423	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+NH4"	18.033823
"790626"	987.381223	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+NH4"	18.033823
"1684767"	341.149623	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+NH4"	18.033823
"335599"	332.6363495	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+H+NH4"	19.041099
"725833"	494.1942495	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+H+NH4"	19.041099
"1482206"	171.0784495	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H+NH4"	19.041099
"398334"	669.220818	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+Na"	22.989218
"758965"	992.336618	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+Na"	22.989218
"1607065"	346.105018	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Na"	22.989218
"321473"	335.114047	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+H+Na"	23.996494
"711717"	496.671947	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+H+Na"	23.996494
"1466628"	173.556147	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H+Na"	23.996494
"1062068"	116.039856666667	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2H+Na"	25.00377
"1266671"	356.149286	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+CH3OH+H"	33.033486
"384518"	685.194758	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+K"	38.963158
"741503"	1008.310558	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+K"	38.963158
"1546472"	362.078958	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+K"	38.963158
"311309"	343.101017	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+H+K"	39.970434
"705556"	504.658917	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+H+K"	39.970434
"1453180"	181.543117	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H+K"	39.970434
"246156"	688.265426	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+ACN+H"	42.033826
"1218863"	365.149626	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+ACN+H"	42.033826
"1195943"	183.078451	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+ACN+2H"	43.041102
"193432"	691.20276	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+2Na-H"	44.97116
"635177"	1014.31856	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+2Na-H"	44.97116
"1137592"	368.08696	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2Na-H"	44.97116
"180881"	346.105018	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+2Na"	45.978436
"616798"	507.662918	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+2Na"	45.978436
"1117873"	184.547118	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2Na"	45.978436
"1403097"	123.367170666667	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H+2Na"	46.985712
"1436308"	370.128546	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H+HCOOH"	47.012746
"222724"	351.13804	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+3H2O+2H"	56.04448
"1516254"	384.18059	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+IsoProp+H"	61.06479
"414846"	354.091988	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+Na+K"	61.952376
"774018"	515.649888	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+Na+K"	61.952376
"1676544"	192.534088	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Na+K"	61.952376
"258689"	710.247368	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+ACN+Na"	64.015768
"1233591"	387.131568	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+ACN+Na"	64.015768
"1721383"	387.155093	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+NH4+HCOOH"	64.039293
"1188929"	130.694484666667	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+3Na"	68.967654
"1659913"	392.110488	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Na+HCOOH"	68.994688
"167872"	723.15064	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+2K-H"	76.91904
"608523"	1046.26644	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+2K-H"	76.91904
"1097414"	400.03484	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2K-H"	76.91904
"153135"	362.078958	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"2M+2K"	77.926316
"596796"	523.636858	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"3M+2K"	77.926316
"1084066"	200.521058	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2K"	77.926316
"1114431"	402.049392	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2K+H"	78.933592
"1348992"	402.137007	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+DMSO+H"	79.021207
"1018618"	406.176176	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2ACN+H"	83.060376
"1539175"	407.169808	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+IsoProp+Na+H"	84.054008
"1002095"	203.591726	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+2ACN+2H"	84.067652
"1598786"	408.084428	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+K+HCOOH"	84.968628
"1425539"	438.115938	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+H+CF3COOH"	115.000138
"1156925"	224.105001	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+3ACN+2H"	125.094202
"1702102"	455.142485	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+NH4+CF3COOH"	132.026685
"1646502"	460.09788	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+Na+CF3COOH"	136.98208
"1581058"	476.07182	"C10739"	"Rutacridone epoxide"	"C19H17NO4"	"323.1158"	"M+K+CF3COOH"	152.95602
"804862"	259.0845	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M"	0
"984955"	240.06611	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-H2O-H"	-19.01839
"68823"	171.715724	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M-3H"	-3.021828
"510572"	258.077224	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M-3H"	-3.021828
"886185"	85.354224	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-3H"	-3.021828
"4758"	258.077224	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M-2H"	-2.014552
"443226"	387.619474	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M-2H"	-2.014552
"818112"	128.534974	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-2H"	-2.014552
"85397"	517.161724	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M-H"	-1.007276
"524956"	776.246224	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M-H"	-1.007276
"900571"	258.077224	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-H"	-1.007276
"54946"	534.188271	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M-2H+NH4"	16.019271
"493413"	793.272771	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M-2H+NH4"	16.019271
"874496"	275.103771	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-2H+NH4"	16.019271
"40210"	539.143666	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M-2H+Na"	20.974666
"474304"	798.228166	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M-2H+Na"	20.974666
"853198"	280.059166	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-2H+Na"	20.974666
"1624919"	280.059166	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Na-2H"	20.974666
"97075"	276.065563	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M-H+Cl"	33.962126
"542101"	405.607813	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M-H+Cl"	33.962126
"928325"	146.523313	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-H+Cl"	33.962126
"273079"	553.138402	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+Cl"	34.969402
"661127"	812.222902	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+Cl"	34.969402
"1275714"	294.053902	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Cl"	34.969402
"16160"	555.117606	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M-2H+K"	36.948606
"458935"	814.202106	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M-2H+K"	36.948606
"833936"	296.033106	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-2H+K"	36.948606
"1555762"	296.033106	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+K-2H"	36.948606
"943482"	304.082694	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-H+HCOOH"	44.998194
"362062"	563.167201	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+HCOOH-H"	44.998201
"346196"	577.182851	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+Hac-H"	59.013851
"1493570"	318.098351	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Hac-H"	59.013851
"961114"	326.064651	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-H+NaCOOH"	66.980151
"119862"	294.053902	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+2Cl"	69.938804
"551768"	423.596152	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+2Cl"	69.938804
"1028952"	164.511652	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2Cl"	69.938804
"1251810"	338.003385	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Br"	78.918885
"1315717"	340.059372	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Cl+HCOOH"	80.974872
"1327746"	362.041329	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Cl+NaCOOH"	102.956829
"920992"	372.070086	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M-H+CF3COOH"	112.985586
"1300979"	408.046764	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Cl+CF3COOH"	148.962264
"1376955"	224.071824	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H-2H2O"	-35.012676
"1391176"	242.0818	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H-H2O"	-17.0027
"284300"	519.176276	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+H"	1.007276
"678907"	778.260776	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+H"	1.007276
"1356349"	260.091776	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H"	1.007276
"135798"	260.091776	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+2H"	2.014552
"573174"	389.634026	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+2H"	2.014552
"1043069"	130.549526	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2H"	2.014552
"205870"	173.730276	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+3H"	3.021828
"648342"	260.091776	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+3H"	3.021828
"1166469"	87.368776	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+3H"	3.021828
"428648"	536.202823	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+NH4"	18.033823
"789643"	795.287323	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+NH4"	18.033823
"1684515"	277.118323	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+NH4"	18.033823
"333156"	268.6050495	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+H+NH4"	19.041099
"723997"	398.1472995	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+H+NH4"	19.041099
"1478305"	139.0627995	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H+NH4"	19.041099
"395162"	541.158218	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+Na"	22.989218
"756523"	800.242718	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+Na"	22.989218
"1607173"	282.073718	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Na"	22.989218
"319396"	271.082747	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+H+Na"	23.996494
"708540"	400.624997	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+H+Na"	23.996494
"1463451"	141.540497	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H+Na"	23.996494
"1059992"	94.69609	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2H+Na"	25.00377
"1264960"	292.117986	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+CH3OH+H"	33.033486
"383535"	557.132158	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+K"	38.963158
"741613"	816.216658	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+K"	38.963158
"1547675"	298.047658	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+K"	38.963158
"312512"	279.069717	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+H+K"	39.970434
"702750"	408.611967	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+H+K"	39.970434
"1453289"	149.527467	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H+K"	39.970434
"245173"	560.202826	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+ACN+H"	42.033826
"1217879"	301.118326	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+ACN+H"	42.033826
"1196663"	151.062801	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+ACN+2H"	43.041102
"193544"	563.14016	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+2Na-H"	44.97116
"630914"	822.22466	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+2Na-H"	44.97116
"1132597"	304.05566	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2Na-H"	44.97116
"176252"	282.073718	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+2Na"	45.978436
"614478"	411.615968	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+2Na"	45.978436
"1117254"	152.531468	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2Na"	45.978436
"1406489"	102.023404	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H+2Na"	46.985712
"1434231"	306.097246	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H+HCOOH"	47.012746
"223929"	287.10674	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+3H2O+2H"	56.04448
"1514177"	320.14929	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+IsoProp+H"	61.06479
"416050"	290.060688	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+Na+K"	61.952376
"778138"	419.602938	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+Na+K"	61.952376
"1669001"	160.518438	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Na+K"	61.952376
"257706"	582.184768	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+ACN+Na"	64.015768
"1234792"	323.100268	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+ACN+Na"	64.015768
"1719307"	323.123793	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+NH4+HCOOH"	64.039293
"1182473"	109.350718	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+3Na"	68.967654
"1660024"	328.079188	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Na+HCOOH"	68.994688
"169076"	595.08804	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+2K-H"	76.91904
"609726"	854.17254	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+2K-H"	76.91904
"1097524"	336.00354	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2K-H"	76.91904
"153245"	298.047658	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"2M+2K"	77.926316
"596992"	427.589908	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"3M+2K"	77.926316
"1083278"	168.505408	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2K"	77.926316
"1114541"	338.018092	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2K+H"	78.933592
"1350563"	338.105707	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+DMSO+H"	79.021207
"1015446"	342.144876	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2ACN+H"	83.060376
"1538676"	343.138508	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+IsoProp+Na+H"	84.054008
"1001112"	171.576076	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+2ACN+2H"	84.067652
"1597803"	344.053128	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+K+HCOOH"	84.968628
"1423461"	374.084638	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+H+CF3COOH"	115.000138
"1157035"	192.089351	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+3ACN+2H"	125.094202
"1702212"	391.111185	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+NH4+CF3COOH"	132.026685
"1646612"	396.06658	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+Na+CF3COOH"	136.98208
"1581168"	412.04052	"C10740"	"Skimmianine"	"C14H13NO4"	"259.0845"	"M+K+CF3COOH"	152.95602
"804972"	205.0739	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M"	0
"985065"	186.05551	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-H2O-H"	-19.01839
"68933"	135.708657333333	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M-3H"	-3.021828
"511775"	204.066624	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M-3H"	-3.021828
"886295"	67.3506906666667	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-3H"	-3.021828
"4868"	204.066624	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M-2H"	-2.014552
"445522"	306.603574	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M-2H"	-2.014552
"819680"	101.529674	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-2H"	-2.014552
"86600"	409.140524	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M-H"	-1.007276
"526160"	614.214424	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M-H"	-1.007276
"900681"	204.066624	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-H"	-1.007276
"55056"	426.167071	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M-2H+NH4"	16.019271
"495709"	631.240971	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M-2H+NH4"	16.019271
"871326"	221.093171	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-2H+NH4"	16.019271
"35946"	431.122466	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M-2H+Na"	20.974666
"478788"	636.196366	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M-2H+Na"	20.974666
"853308"	226.048566	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-2H+Na"	20.974666
"1627216"	226.048566	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Na-2H"	20.974666
"97549"	222.054963	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M-H+Cl"	33.962126
"540024"	324.591913	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M-H+Cl"	33.962126
"932446"	119.518013	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-H+Cl"	33.962126
"275377"	445.117202	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+Cl"	34.969402
"660872"	650.191102	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+Cl"	34.969402
"1276917"	240.043302	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Cl"	34.969402
"16922"	447.096406	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M-2H+K"	36.948606
"458314"	652.170306	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M-2H+K"	36.948606
"835015"	242.022506	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-2H+K"	36.948606
"1556684"	242.022506	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+K-2H"	36.948606
"943510"	250.072094	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-H+HCOOH"	44.998194
"361843"	455.146001	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+HCOOH-H"	44.998201
"346378"	469.161651	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+Hac-H"	59.013851
"1493675"	264.087751	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Hac-H"	59.013851
"959759"	272.054051	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-H+NaCOOH"	66.980151
"115597"	240.043302	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+2Cl"	69.938804
"555156"	342.580252	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+2Cl"	69.938804
"1029426"	137.506352	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2Cl"	69.938804
"1253013"	283.992785	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Br"	78.918885
"1319106"	286.048772	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Cl+HCOOH"	80.974872
"1332229"	308.030729	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Cl+NaCOOH"	102.956829
"926774"	318.059486	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M-H+CF3COOH"	112.985586
"1302182"	354.036164	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Cl+CF3COOH"	148.962264
"1381074"	170.061224	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H-2H2O"	-35.012676
"1389099"	188.0712	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H-H2O"	-17.0027
"284410"	411.155076	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+H"	1.007276
"682297"	616.228976	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+H"	1.007276
"1358646"	206.081176	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H"	1.007276
"134816"	206.081176	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+2H"	2.014552
"572191"	308.618126	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+2H"	2.014552
"1043178"	103.544226	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2H"	2.014552
"205980"	137.723209333333	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+3H"	3.021828
"646266"	206.081176	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+3H"	3.021828
"1166214"	69.3652426666667	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+3H"	3.021828
"426206"	428.181623	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+NH4"	18.033823
"789754"	633.255523	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+NH4"	18.033823
"1689365"	223.107723	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+NH4"	18.033823
"336185"	214.5944495	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+H+NH4"	19.041099
"729335"	317.1313995	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+H+NH4"	19.041099
"1486071"	112.0574995	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H+NH4"	19.041099
"401468"	433.137018	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+Na"	22.989218
"763559"	638.210918	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+Na"	22.989218
"1607646"	228.063118	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Na"	22.989218
"320600"	217.072147	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+H+Na"	23.996494
"710834"	319.609097	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+H+Na"	23.996494
"1466841"	114.535197	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H+Na"	23.996494
"1053533"	76.6925566666667	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2H+Na"	25.00377
"1266891"	238.107386	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+CH3OH+H"	33.033486
"384738"	449.110958	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+K"	38.963158
"742816"	654.184858	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+K"	38.963158
"1547785"	244.037058	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+K"	38.963158
"313351"	225.059117	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+H+K"	39.970434
"700673"	327.596067	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+H+K"	39.970434
"1455586"	122.522167	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H+K"	39.970434
"243093"	452.181626	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+ACN+H"	42.033826
"1216897"	247.107726	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+ACN+H"	42.033826
"1197501"	124.057501	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+ACN+2H"	43.041102
"193653"	455.11896	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+2Na-H"	44.97116
"631024"	660.19286	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+2Na-H"	44.97116
"1132340"	250.04506	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2Na-H"	44.97116
"175999"	228.063118	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+2Na"	45.978436
"614830"	330.600068	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+2Na"	45.978436
"1119795"	125.526168	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2Na"	45.978436
"1402225"	84.0198706666667	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H+2Na"	46.985712
"1434341"	252.086646	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H+HCOOH"	47.012746
"222946"	233.09614	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+3H2O+2H"	56.04448
"1515380"	266.13869	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+IsoProp+H"	61.06479
"415067"	236.050088	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+Na+K"	61.952376
"778248"	338.587038	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+Na+K"	61.952376
"1670203"	133.513138	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Na+K"	61.952376
"256722"	474.163568	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+ACN+Na"	64.015768
"1231622"	269.089668	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+ACN+Na"	64.015768
"1718324"	269.113193	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+NH4+HCOOH"	64.039293
"1182583"	91.3471846666667	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+3Na"	68.967654
"1660134"	274.068588	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Na+HCOOH"	68.994688
"170277"	487.06684	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+2K-H"	76.91904
"608743"	692.14074	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+2K-H"	76.91904
"1095446"	281.99294	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2K-H"	76.91904
"152260"	244.037058	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"2M+2K"	77.926316
"597048"	346.574008	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"3M+2K"	77.926316
"1083629"	141.500108	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2K"	77.926316
"1111734"	284.007492	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2K+H"	78.933592
"1347022"	284.095107	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+DMSO+H"	79.021207
"1016650"	288.134276	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2ACN+H"	83.060376
"1538056"	289.127908	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+IsoProp+Na+H"	84.054008
"1001222"	144.570776	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+2ACN+2H"	84.067652
"1597913"	290.042528	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+K+HCOOH"	84.968628
"1424664"	320.074038	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+H+CF3COOH"	115.000138
"1158238"	165.084051	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+3ACN+2H"	125.094202
"1705602"	337.100585	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+NH4+CF3COOH"	132.026685
"1643442"	342.05598	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+Na+CF3COOH"	136.98208
"1581278"	358.02992	"C10741"	"Swietenidin B"	"C11H11NO3"	"205.0739"	"M+K+CF3COOH"	152.95602
"805082"	248.0586	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M"	0
"985175"	229.04021	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-H2O-H"	-19.01839
"76334"	164.365124	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M-3H"	-3.021828
"514072"	247.051324	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M-3H"	-3.021828
"887499"	81.678924	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-3H"	-3.021828
"3886"	247.051324	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M-2H"	-2.014552
"443446"	371.080624	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M-2H"	-2.014552
"820156"	123.022024	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-2H"	-2.014552
"80512"	495.109924	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M-H"	-1.007276
"522261"	743.168524	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M-H"	-1.007276
"900063"	247.051324	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-H"	-1.007276
"52250"	512.136471	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M-2H+NH4"	16.019271
"492539"	760.195071	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M-2H+NH4"	16.019271
"874719"	264.077871	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-2H+NH4"	16.019271
"40432"	517.091866	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M-2H+Na"	20.974666
"481085"	765.150466	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M-2H+Na"	20.974666
"856700"	269.033266	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-2H+Na"	20.974666
"1627326"	269.033266	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Na-2H"	20.974666
"101668"	265.039663	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M-H+Cl"	33.962126
"542321"	389.068963	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M-H+Cl"	33.962126
"932556"	141.010363	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-H+Cl"	33.962126
"275487"	531.086602	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+Cl"	34.969402
"662439"	779.145202	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+Cl"	34.969402
"1277393"	283.028002	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Cl"	34.969402
"18855"	533.065806	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M-2H+K"	36.948606
"459154"	781.124406	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M-2H+K"	36.948606
"833025"	285.007206	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-2H+K"	36.948606
"1557883"	285.007206	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+K-2H"	36.948606
"943345"	293.056794	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-H+HCOOH"	44.998194
"366545"	541.115401	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+HCOOH-H"	44.998201
"350427"	555.131051	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+Hac-H"	59.013851
"1493301"	307.072451	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Hac-H"	59.013851
"959869"	315.038751	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-H+NaCOOH"	66.980151
"113522"	283.028002	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+2Cl"	69.938804
"551986"	407.057302	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+2Cl"	69.938804
"1027347"	158.998702	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2Cl"	69.938804
"1249113"	326.977485	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Br"	78.918885
"1309372"	329.033472	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Cl+HCOOH"	80.974872
"1329058"	351.015429	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Cl+NaCOOH"	102.956829
"925222"	361.044186	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M-H+CF3COOH"	112.985586
"1304036"	397.020864	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Cl+CF3COOH"	148.962264
"1382441"	213.045924	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H-2H2O"	-35.012676
"1387022"	231.0559	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H-H2O"	-17.0027
"291081"	497.124476	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+H"	1.007276
"684595"	745.183076	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+H"	1.007276
"1359850"	249.065876	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H"	1.007276
"132739"	249.065876	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+2H"	2.014552
"573395"	373.095176	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+2H"	2.014552
"1038308"	125.036576	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2H"	2.014552
"205359"	166.379676	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+3H"	3.021828
"647839"	249.065876	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+3H"	3.021828
"1164257"	83.693476	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+3H"	3.021828
"427409"	514.151023	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+NH4"	18.033823
"789130"	762.209623	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+NH4"	18.033823
"1688382"	266.092423	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+NH4"	18.033823
"335200"	257.5791495	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+H+NH4"	19.041099
"730902"	381.6084495	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+H+NH4"	19.041099
"1481806"	133.5498495	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H+NH4"	19.041099
"399393"	519.106418	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+Na"	22.989218
"760751"	767.165018	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+Na"	22.989218
"1610673"	271.047818	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Na"	22.989218
"317065"	260.056847	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+H+Na"	23.996494
"712040"	384.086147	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+H+Na"	23.996494
"1469138"	136.027547	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H+Na"	23.996494
"1058027"	91.02079	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2H+Na"	25.00377
"1268095"	281.092086	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+CH3OH+H"	33.033486
"391046"	535.080358	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+K"	38.963158
"753502"	783.138958	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+K"	38.963158
"1553731"	287.021758	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+K"	38.963158
"312368"	268.043817	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+H+K"	39.970434
"700783"	392.073117	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+H+K"	39.970434
"1454602"	144.014517	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H+K"	39.970434
"245390"	538.151026	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+ACN+H"	42.033826
"1218099"	290.092426	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+ACN+H"	42.033826
"1198703"	145.549851	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+ACN+2H"	43.041102
"190844"	541.08836	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+2Na-H"	44.97116
"633685"	789.14696	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+2Na-H"	44.97116
"1134274"	293.02976	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2Na-H"	44.97116
"174648"	271.047818	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+2Na"	45.978436
"621503"	395.077118	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+2Na"	45.978436
"1123551"	147.018518	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2Na"	45.978436
"1403430"	98.348104	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H+2Na"	46.985712
"1433358"	295.071346	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H+HCOOH"	47.012746
"223055"	276.08084	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+3H2O+2H"	56.04448
"1514397"	309.12339	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+IsoProp+H"	61.06479
"413354"	279.034788	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+Na+K"	61.952376
"778359"	403.064088	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+Na+K"	61.952376
"1675784"	155.005488	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Na+K"	61.952376
"259750"	560.132968	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+ACN+Na"	64.015768
"1232826"	312.074368	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+ACN+Na"	64.015768
"1716246"	312.097893	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+NH4+HCOOH"	64.039293
"1182693"	105.675418	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+3Na"	68.967654
"1653680"	317.053288	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Na+HCOOH"	68.994688
"160543"	573.03624	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+2K-H"	76.91904
"607759"	821.09484	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+2K-H"	76.91904
"1094463"	324.97764	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2K-H"	76.91904
"151277"	287.021758	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"2M+2K"	77.926316
"593029"	411.051058	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"3M+2K"	77.926316
"1082767"	162.992458	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2K"	77.926316
"1114398"	326.992192	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2K+H"	78.933592
"1347132"	327.079807	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+DMSO+H"	79.021207
"1020652"	331.118976	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2ACN+H"	83.060376
"1538045"	332.112608	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+IsoProp+Na+H"	84.054008
"1000239"	166.063126	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+2ACN+2H"	84.067652
"1596930"	333.027228	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+K+HCOOH"	84.968628
"1423681"	363.058738	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+H+CF3COOH"	115.000138
"1153968"	186.576401	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+3ACN+2H"	125.094202
"1705708"	380.085285	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+NH4+CF3COOH"	132.026685
"1643552"	385.04068	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+Na+CF3COOH"	136.98208
"1581388"	401.01462	"C10742"	"Tryptanthrine"	"C15H8N2O2"	"248.0586"	"M+K+CF3COOH"	152.95602
"805192"	204.0899	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M"	0
"985285"	185.07151	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-H2O-H"	-19.01839
"74621"	135.052657333333	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M-3H"	-3.021828
"509808"	203.082624	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M-3H"	-3.021828
"884329"	67.0226906666667	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-3H"	-3.021828
"5089"	203.082624	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M-2H"	-2.014552
"450115"	305.127574	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M-2H"	-2.014552
"822452"	101.037674	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-2H"	-2.014552
"80622"	407.172524	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M-H"	-1.007276
"525286"	611.262424	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M-H"	-1.007276
"903088"	203.082624	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-H"	-1.007276
"53087"	424.199071	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M-2H+NH4"	16.019271
"493741"	628.288971	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M-2H+NH4"	16.019271
"875922"	220.109171	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-2H+NH4"	16.019271
"40542"	429.154466	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M-2H+Na"	20.974666
"481195"	633.244366	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M-2H+Na"	20.974666
"856810"	225.064566	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-2H+Na"	20.974666
"1627436"	225.064566	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Na-2H"	20.974666
"99590"	221.070963	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M-H+Cl"	33.962126
"544618"	323.115913	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M-H+Cl"	33.962126
"938133"	119.026013	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-H+Cl"	33.962126
"274503"	443.149202	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+Cl"	34.969402
"663279"	647.239102	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+Cl"	34.969402
"1277506"	239.059302	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Cl"	34.969402
"18359"	445.128406	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M-2H+K"	36.948606
"461451"	649.218306	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M-2H+K"	36.948606
"833785"	241.038506	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-2H+K"	36.948606
"1556661"	241.038506	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+K-2H"	36.948606
"944064"	249.088094	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-H+HCOOH"	44.998194
"363373"	453.178001	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+HCOOH-H"	44.998201
"347257"	467.193651	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+Hac-H"	59.013851
"1494991"	263.103751	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Hac-H"	59.013851
"960347"	271.070051	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-H+NaCOOH"	66.980151
"116912"	239.059302	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+2Cl"	69.938804
"554287"	341.104252	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+2Cl"	69.938804
"1029647"	137.014352	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2Cl"	69.938804
"1251411"	283.008785	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Br"	78.918885
"1317869"	285.064772	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Cl+HCOOH"	80.974872
"1333911"	307.046729	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Cl+NaCOOH"	102.956829
"926893"	317.075486	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M-H+CF3COOH"	112.985586
"1303011"	353.052164	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Cl+CF3COOH"	148.962264
"1381661"	169.077224	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H-2H2O"	-35.012676
"1387130"	187.0872	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H-H2O"	-17.0027
"289003"	409.187076	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+H"	1.007276
"686891"	613.276976	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+H"	1.007276
"1362148"	205.097176	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H"	1.007276
"137224"	205.097176	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+2H"	2.014552
"574597"	307.142126	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+2H"	2.014552
"1039754"	103.052226	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2H"	2.014552
"206197"	137.067209333333	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+3H"	3.021828
"649042"	205.097176	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+3H"	3.021828
"1166435"	69.0372426666667	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+3H"	3.021828
"427884"	426.213623	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+NH4"	18.033823
"790335"	630.303523	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+NH4"	18.033823
"1684480"	222.123723	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+NH4"	18.033823
"338227"	213.6104495	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+H+NH4"	19.041099
"733564"	315.6553995	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+H+NH4"	19.041099
"1487384"	111.5654995	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H+NH4"	19.041099
"406067"	431.169018	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+Na"	22.989218
"769248"	635.258918	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+Na"	22.989218
"1614063"	227.079118	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Na"	22.989218
"321913"	216.088147	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+H+Na"	23.996494
"719802"	318.133097	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+H+Na"	23.996494
"1471437"	114.043197	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H+Na"	23.996494
"1060323"	76.3645566666667	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2H+Na"	25.00377
"1267107"	237.123386	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+CH3OH+H"	33.033486
"387142"	447.142958	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+K"	38.963158
"748140"	651.232858	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+K"	38.963158
"1554085"	243.053058	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+K"	38.963158
"310291"	224.075117	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+H+K"	39.970434
"700893"	326.120067	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+H+K"	39.970434
"1455809"	122.030167	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H+K"	39.970434
"244408"	450.213626	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+ACN+H"	42.033826
"1214931"	246.123726	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+ACN+H"	42.033826
"1197721"	123.565501	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+ACN+2H"	43.041102
"190954"	453.15096	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+2Na-H"	44.97116
"631242"	657.24086	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+2Na-H"	44.97116
"1132923"	249.06106	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2Na-H"	44.97116
"173904"	227.079118	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+2Na"	45.978436
"614683"	329.124068	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+2Na"	45.978436
"1118553"	125.034168	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2Na"	45.978436
"1401716"	83.6918706666667	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H+2Na"	46.985712
"1433468"	251.102646	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H+HCOOH"	47.012746
"221339"	232.11214	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+3H2O+2H"	56.04448
"1509767"	265.15469	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+IsoProp+H"	61.06479
"413462"	235.066088	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+Na+K"	61.952376
"772635"	337.111038	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+Na+K"	61.952376
"1668236"	133.021138	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Na+K"	61.952376
"257306"	472.195568	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+ACN+Na"	64.015768
"1230749"	268.105668	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+ACN+Na"	64.015768
"1717449"	268.129193	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+NH4+HCOOH"	64.039293
"1181708"	91.0191846666667	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+3Na"	68.967654
"1654880"	273.084588	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Na+HCOOH"	68.994688
"160653"	485.09884	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+2K-H"	76.91904
"600209"	689.18874	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+2K-H"	76.91904
"1092385"	281.00894	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2K-H"	76.91904
"150294"	243.053058	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"2M+2K"	77.926316
"589857"	345.098008	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"3M+2K"	77.926316
"1079838"	141.008108	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2K"	77.926316
"1110858"	283.023492	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2K+H"	78.933592
"1347240"	283.111107	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+DMSO+H"	79.021207
"1021090"	287.150276	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2ACN+H"	83.060376
"1539007"	288.143908	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+IsoProp+Na+H"	84.054008
"1002535"	144.078776	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+2ACN+2H"	84.067652
"1600320"	289.058528	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+K+HCOOH"	84.968628
"1424884"	319.090038	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+H+CF3COOH"	115.000138
"1154078"	164.592051	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+3ACN+2H"	125.094202
"1706911"	336.116585	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+NH4+CF3COOH"	132.026685
"1643662"	341.07198	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+Na+CF3COOH"	136.98208
"1581498"	357.04592	"C10743"	"Vasicinol;Pyrrolo(21-b)quinazoline-37-diol 1239-tetrahydro- (R)-"	"C11H12N2O2"	"204.0899"	"M+K+CF3COOH"	152.95602
"805302"	202.0742	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M"	0
"984302"	183.05581	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-H2O-H"	-19.01839
"71451"	133.708857333333	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M-3H"	-3.021828
"512105"	201.066924	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M-3H"	-3.021828
"885533"	66.3507906666667	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-3H"	-3.021828
"4106"	201.066924	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M-2H"	-2.014552
"448039"	302.104024	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M-2H"	-2.014552
"820376"	100.029824	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-2H"	-2.014552
"80732"	403.141124	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M-H"	-1.007276
"522117"	605.215324	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M-H"	-1.007276
"901012"	201.066924	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-H"	-1.007276
"51011"	420.167671	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M-2H+NH4"	16.019271
"490572"	622.241871	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M-2H+NH4"	16.019271
"876032"	218.093471	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-2H+NH4"	16.019271
"43569"	425.123066	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M-2H+Na"	20.974666
"481305"	627.197266	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M-2H+Na"	20.974666
"856920"	223.048866	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-2H+Na"	20.974666
"1627546"	223.048866	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Na-2H"	20.974666
"99700"	219.055263	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M-H+Cl"	33.962126
"544728"	320.092363	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M-H+Cl"	33.962126
"938244"	118.018163	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-H+Cl"	33.962126
"275708"	439.117802	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+Cl"	34.969402
"662297"	641.192002	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+Cl"	34.969402
"1276158"	237.043602	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Cl"	34.969402
"20171"	441.097006	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M-2H+K"	36.948606
"459374"	643.171206	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M-2H+K"	36.948606
"833287"	239.022806	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-2H+K"	36.948606
"1557377"	239.022806	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+K-2H"	36.948606
"943444"	247.072394	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-H+HCOOH"	44.998194
"362753"	449.146601	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+HCOOH-H"	44.998201
"347730"	463.162251	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+Hac-H"	59.013851
"1494373"	261.088051	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Hac-H"	59.013851
"961552"	269.054351	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-H+NaCOOH"	66.980151
"113740"	237.043602	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+2Cl"	69.938804
"552208"	338.080702	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+2Cl"	69.938804
"1027569"	136.006502	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2Cl"	69.938804
"1250428"	280.993085	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Br"	78.918885
"1318343"	283.049072	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Cl+HCOOH"	80.974872
"1333654"	305.031029	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Cl+NaCOOH"	102.956829
"926626"	315.059786	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M-H+CF3COOH"	112.985586
"1303607"	351.036464	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Cl+CF3COOH"	148.962264
"1382136"	167.061524	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H-2H2O"	-35.012676
"1385055"	185.0715	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H-H2O"	-17.0027
"289113"	405.155676	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+H"	1.007276
"687001"	607.229876	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+H"	1.007276
"1362258"	203.081476	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H"	1.007276
"136241"	203.081476	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+2H"	2.014552
"575800"	304.118576	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+2H"	2.014552
"1039500"	102.044376	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2H"	2.014552
"207400"	135.723409333333	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+3H"	3.021828
"647692"	203.081476	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+3H"	3.021828
"1166181"	68.3653426666667	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+3H"	3.021828
"426900"	422.182223	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+NH4"	18.033823
"788986"	624.256423	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+NH4"	18.033823
"1683493"	220.108023	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+NH4"	18.033823
"337243"	211.5947495	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+H+NH4"	19.041099
"735133"	312.6318495	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+H+NH4"	19.041099
"1487494"	110.5576495	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H+NH4"	19.041099
"407270"	427.137618	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+Na"	22.989218
"767172"	629.211818	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+Na"	22.989218
"1613079"	225.063418	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Na"	22.989218
"324211"	214.072447	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+H+Na"	23.996494
"719912"	315.109547	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+H+Na"	23.996494
"1469360"	113.035347	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H+Na"	23.996494
"1054589"	75.6926566666667	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2H+Na"	25.00377
"1266488"	235.107686	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+CH3OH+H"	33.033486
"383972"	443.111558	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+K"	38.963158
"743876"	645.185758	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+K"	38.963158
"1550303"	241.037358	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+K"	38.963158
"310765"	222.059417	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+H+K"	39.970434
"706109"	323.096517	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+H+K"	39.970434
"1461067"	121.022317	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H+K"	39.970434
"248894"	446.182226	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+ACN+H"	42.033826
"1218323"	244.108026	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+ACN+H"	42.033826
"1203298"	122.557651	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+ACN+2H"	43.041102
"190702"	449.11956	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+2Na-H"	44.97116
"632083"	651.19376	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+2Na-H"	44.97116
"1137049"	247.04536	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2Na-H"	44.97116
"173774"	225.063418	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+2Na"	45.978436
"614798"	326.100518	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+2Na"	45.978436
"1121221"	124.026318	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2Na"	45.978436
"1399150"	83.0199706666667	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H+2Na"	46.985712
"1430662"	249.086946	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H+HCOOH"	47.012746
"222545"	230.09644	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+3H2O+2H"	56.04448
"1511701"	263.13899	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+IsoProp+H"	61.06479
"412116"	233.050388	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+Na+K"	61.952376
"773110"	334.087488	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+Na+K"	61.952376
"1667618"	132.013288	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Na+K"	61.952376
"254135"	468.164168	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+ACN+Na"	64.015768
"1228307"	266.089968	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+ACN+Na"	64.015768
"1716466"	266.113493	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+NH4+HCOOH"	64.039293
"1182183"	90.3472846666667	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+3Na"	68.967654
"1653897"	271.068888	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Na+HCOOH"	68.994688
"160763"	481.06744	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+2K-H"	76.91904
"601413"	683.14164	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+2K-H"	76.91904
"1090309"	278.99324	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2K-H"	76.91904
"145303"	241.037358	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"2M+2K"	77.926316
"588874"	342.074458	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"3M+2K"	77.926316
"1078855"	140.000258	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2K"	77.926316
"1109876"	281.007792	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2K+H"	78.933592
"1345164"	281.095407	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+DMSO+H"	79.021207
"1020875"	285.134576	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2ACN+H"	83.060376
"1538386"	286.128208	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+IsoProp+Na+H"	84.054008
"1004832"	143.070926	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+2ACN+2H"	84.067652
"1598243"	287.042828	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+K+HCOOH"	84.968628
"1422809"	317.074338	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+H+CF3COOH"	115.000138
"1154189"	163.584201	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+3ACN+2H"	125.094202
"1705929"	334.100885	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+NH4+CF3COOH"	132.026685
"1647051"	339.05628	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+Na+CF3COOH"	136.98208
"1581608"	355.03022	"C10744"	"Vasicinone"	"C11H10N2O2"	"202.0742"	"M+K+CF3COOH"	152.95602
"808692"	334.1654	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M"	0
"984411"	315.14701	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-H2O-H"	-19.01839
"70467"	221.769657333333	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M-3H"	-3.021828
"514402"	333.158124	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M-3H"	-3.021828
"888923"	110.381190666667	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-3H"	-3.021828
"5310"	333.158124	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M-2H"	-2.014552
"448149"	500.240824	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M-2H"	-2.014552
"820486"	166.075424	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-2H"	-2.014552
"81570"	667.323524	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M-H"	-1.007276
"522591"	1001.488924	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M-H"	-1.007276
"899298"	333.158124	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-H"	-1.007276
"51485"	684.350071	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M-2H+NH4"	16.019271
"491410"	1018.515471	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M-2H+NH4"	16.019271
"870675"	350.184671	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-2H+NH4"	16.019271
"40763"	689.305466	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M-2H+Na"	20.974666
"474124"	1023.470866	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M-2H+Na"	20.974666
"853750"	355.140066	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-2H+Na"	20.974666
"1624376"	355.140066	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Na-2H"	20.974666
"97258"	351.146463	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M-H+Cl"	33.962126
"539371"	518.229163	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M-H+Cl"	33.962126
"931795"	184.063763	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-H+Cl"	33.962126
"278006"	703.300202	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+Cl"	34.969402
"664961"	1037.465602	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+Cl"	34.969402
"1279548"	369.134802	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Cl"	34.969402
"18825"	705.279406	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M-2H+K"	36.948606
"461671"	1039.444806	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M-2H+K"	36.948606
"834005"	371.114006	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-2H+K"	36.948606
"1556435"	371.114006	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+K-2H"	36.948606
"943308"	379.163594	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-H+HCOOH"	44.998194
"362010"	713.329001	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+HCOOH-H"	44.998201
"347476"	727.344651	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+Hac-H"	59.013851
"1495577"	393.179251	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Hac-H"	59.013851
"962756"	401.145551	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-H+NaCOOH"	66.980151
"114944"	369.134802	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+2Cl"	69.938804
"553412"	536.217502	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+2Cl"	69.938804
"1033146"	202.052102	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2Cl"	69.938804
"1247258"	413.084285	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Br"	78.918885
"1316266"	415.140272	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Cl+HCOOH"	80.974872
"1334856"	437.122229	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Cl+NaCOOH"	102.956829
"923367"	447.150986	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M-H+CF3COOH"	112.985586
"1303353"	483.127664	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Cl+CF3COOH"	148.962264
"1380788"	299.152724	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H-2H2O"	-35.012676
"1388445"	317.1627	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H-H2O"	-17.0027
"289223"	669.338076	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+H"	1.007276
"689298"	1003.503476	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+H"	1.007276
"1364554"	335.172676	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H"	1.007276
"140240"	335.172676	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+2H"	2.014552
"577004"	502.255376	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+2H"	2.014552
"1039608"	168.089976	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2H"	2.014552
"208604"	223.784209333333	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+3H"	3.021828
"645979"	335.172676	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+3H"	3.021828
"1165562"	112.395742666667	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+3H"	3.021828
"428103"	686.364623	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+NH4"	18.033823
"787276"	1020.530023	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+NH4"	18.033823
"1684333"	352.199223	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+NH4"	18.033823
"340271"	343.6859495	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+H+NH4"	19.041099
"736702"	510.7686495	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+H+NH4"	19.041099
"1489793"	176.6032495	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H+NH4"	19.041099
"404827"	691.320018	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+Na"	22.989218
"768133"	1025.485418	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+Na"	22.989218
"1613191"	357.154618	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Na"	22.989218
"324321"	346.163647	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+H+Na"	23.996494
"720022"	513.246347	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+H+Na"	23.996494
"1470562"	179.080947	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H+Na"	23.996494
"1055792"	119.723056666667	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2H+Na"	25.00377
"1263316"	367.198886	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+CH3OH+H"	33.033486
"387359"	707.293958	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+K"	38.963158
"743986"	1041.459358	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+K"	38.963158
"1550413"	373.128558	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+K"	38.963158
"311241"	354.150617	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+H+K"	39.970434
"706911"	521.233317	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+H+K"	39.970434
"1460972"	187.067917	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H+K"	39.970434
"245724"	710.364626	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+ACN+H"	42.033826
"1221713"	376.199226	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+ACN+H"	42.033826
"1203408"	188.603251	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+ACN+2H"	43.041102
"190812"	713.30196	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+2Na-H"	44.97116
"631102"	1047.46736	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+2Na-H"	44.97116
"1132173"	379.13656	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2Na-H"	44.97116
"172895"	357.154618	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+2Na"	45.978436
"614544"	524.237318	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+2Na"	45.978436
"1121331"	190.071918	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2Na"	45.978436
"1398776"	127.050370666667	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H+2Na"	46.985712
"1432596"	381.178146	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H+HCOOH"	47.012746
"224478"	362.18764	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+3H2O+2H"	56.04448
"1512906"	395.23019	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+IsoProp+H"	61.06479
"412591"	365.141588	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+Na+K"	61.952376
"771521"	532.224288	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+Na+K"	61.952376
"1667363"	198.058888	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Na+K"	61.952376
"252426"	732.346568	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+ACN+Na"	64.015768
"1229140"	398.181168	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+ACN+Na"	64.015768
"1715846"	398.204693	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+NH4+HCOOH"	64.039293
"1180835"	134.377684666667	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+3Na"	68.967654
"1653277"	403.160088	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Na+HCOOH"	68.994688
"159779"	745.24984	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+2K-H"	76.91904
"600064"	1079.41524	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+2K-H"	76.91904
"1090419"	411.08444	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2K-H"	76.91904
"146142"	373.128558	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"2M+2K"	77.926316
"590078"	540.211258	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"3M+2K"	77.926316
"1076776"	206.045858	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2K"	77.926316
"1111076"	413.098992	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2K+H"	78.933592
"1343087"	413.186607	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+DMSO+H"	79.021207
"1010885"	417.225776	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2ACN+H"	83.060376
"1539106"	418.219408	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+IsoProp+Na+H"	84.054008
"1001662"	209.116526	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+2ACN+2H"	84.067652
"1599446"	419.134028	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+K+HCOOH"	84.968628
"1425106"	449.165538	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+H+CF3COOH"	115.000138
"1155392"	229.629801	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+3ACN+2H"	125.094202
"1703852"	466.192085	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+NH4+CF3COOH"	132.026685
"1648620"	471.14748	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+Na+CF3COOH"	136.98208
"1578438"	487.12142	"C10745"	"Veprisinium;Veprisinium salt"	"C18H24NO5"	"334.1654"	"M+K+CF3COOH"	152.95602
"808802"	418.2355	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M"	0
"984521"	399.21711	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-H2O-H"	-19.01839
"70577"	277.816390666667	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M-3H"	-3.021828
"513418"	417.228224	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M-3H"	-3.021828
"892314"	138.404557333333	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-3H"	-3.021828
"6514"	417.228224	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M-2H"	-2.014552
"444979"	626.345974	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M-2H"	-2.014552
"819500"	208.110474	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-2H"	-2.014552
"81315"	835.463724	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M-H"	-1.007276
"526711"	1253.699224	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M-H"	-1.007276
"899408"	417.228224	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-H"	-1.007276
"50136"	852.490271	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M-2H+NH4"	16.019271
"489696"	1270.725771	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M-2H+NH4"	16.019271
"869692"	434.254771	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-2H+NH4"	16.019271
"39780"	857.445666	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M-2H+Na"	20.974666
"476787"	1275.681166	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M-2H+Na"	20.974666
"853860"	439.210166	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-2H+Na"	20.974666
"1624486"	439.210166	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Na-2H"	20.974666
"97732"	435.216563	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M-H+Cl"	33.962126
"538385"	644.334313	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M-H+Cl"	33.962126
"932997"	226.098813	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-H+Cl"	33.962126
"275929"	871.440402	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+Cl"	34.969402
"660937"	1289.675902	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+Cl"	34.969402
"1277836"	453.204902	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Cl"	34.969402
"17476"	873.419606	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M-2H+K"	36.948606
"461781"	1291.655106	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M-2H+K"	36.948606
"832852"	455.184106	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-2H+K"	36.948606
"1555772"	455.184106	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+K-2H"	36.948606
"942969"	463.233694	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-H+HCOOH"	44.998194
"361753"	881.469201	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+HCOOH-H"	44.998201
"346120"	895.484851	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+Hac-H"	59.013851
"1493257"	477.249351	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Hac-H"	59.013851
"960678"	485.215651	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-H+NaCOOH"	66.980151
"113595"	453.204902	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+2Cl"	69.938804
"557895"	662.322652	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+2Cl"	69.938804
"1026692"	244.087152	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2Cl"	69.938804
"1249552"	497.154385	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Br"	78.918885
"1309815"	499.210372	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Cl+HCOOH"	80.974872
"1333875"	521.192329	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Cl+NaCOOH"	102.956829
"925910"	531.221086	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M-H+CF3COOH"	112.985586
"1299453"	567.197764	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Cl+CF3COOH"	148.962264
"1380898"	383.222824	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H-2H2O"	-35.012676
"1387463"	401.2328	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H-H2O"	-17.0027
"288240"	837.478276	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+H"	1.007276
"687221"	1255.713776	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+H"	1.007276
"1362477"	419.242776	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H"	1.007276
"140349"	419.242776	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+2H"	2.014552
"577113"	628.360526	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+2H"	2.014552
"1040446"	210.125026	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2H"	2.014552
"207256"	279.830942666667	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+3H"	3.021828
"647182"	419.242776	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+3H"	3.021828
"1166401"	140.419109333333	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+3H"	3.021828
"427119"	854.504823	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+NH4"	18.033823
"789573"	1272.740323	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+NH4"	18.033823
"1685904"	436.269323	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+NH4"	18.033823
"341476"	427.7560495	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+H+NH4"	19.041099
"736812"	636.8737995	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+H+NH4"	19.041099
"1491969"	218.6382995	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H+NH4"	19.041099
"405300"	859.460218	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+Na"	22.989218
"768971"	1277.695718	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+Na"	22.989218
"1612207"	441.224718	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Na"	22.989218
"324432"	430.233747	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+H+Na"	23.996494
"719039"	639.351497	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+H+Na"	23.996494
"1469579"	221.115997	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H+Na"	23.996494
"1055174"	147.746423333333	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2H+Na"	25.00377
"1260509"	451.268986	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+CH3OH+H"	33.033486
"382002"	875.434158	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+K"	38.963158
"744096"	1293.669658	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+K"	38.963158
"1549430"	457.198658	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+K"	38.963158
"314012"	438.220717	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+H+K"	39.970434
"701948"	647.338467	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+H+K"	39.970434
"1459055"	229.102967	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H+K"	39.970434
"248750"	878.504826	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+ACN+H"	42.033826
"1219634"	460.269326	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+ACN+H"	42.033826
"1206797"	230.638301	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+ACN+2H"	43.041102
"196391"	881.44216	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+2Na-H"	44.97116
"635952"	1299.67766	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+2Na-H"	44.97116
"1134354"	463.20666	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2Na-H"	44.97116
"175457"	441.224718	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+2Na"	45.978436
"615018"	650.342468	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+2Na"	45.978436
"1122534"	232.106968	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2Na"	45.978436
"1401685"	155.073737333333	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H+2Na"	46.985712
"1432341"	465.248246	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H+HCOOH"	47.012746
"224588"	446.25774	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+3H2O+2H"	56.04448
"1514840"	479.30029	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+IsoProp+H"	61.06479
"411607"	449.211688	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+Na+K"	61.952376
"772240"	658.329438	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+Na+K"	61.952376
"1667840"	240.093938	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Na+K"	61.952376
"252536"	900.486768	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+ACN+Na"	64.015768
"1228887"	482.251268	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+ACN+Na"	64.015768
"1717780"	482.274793	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+NH4+HCOOH"	64.039293
"1180216"	162.401051333333	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+3Na"	68.967654
"1651565"	487.230188	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Na+HCOOH"	68.994688
"159160"	913.39004	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+2K-H"	76.91904
"599810"	1331.62554	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+2K-H"	76.91904
"1091622"	495.15454	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2K-H"	76.91904
"149530"	457.198658	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"2M+2K"	77.926316
"590188"	666.316408	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"3M+2K"	77.926316
"1077979"	248.080908	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2K"	77.926316
"1108999"	497.169092	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2K+H"	78.933592
"1343196"	497.256707	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+DMSO+H"	79.021207
"1011724"	501.295876	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2ACN+H"	83.060376
"1539216"	502.289508	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+IsoProp+Na+H"	84.054008
"1000678"	251.151576	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+2ACN+2H"	84.067652
"1600649"	503.204128	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+K+HCOOH"	84.968628
"1424123"	533.235638	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+H+CF3COOH"	115.000138
"1156595"	271.664851	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+3ACN+2H"	125.094202
"1708336"	550.262185	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+NH4+CF3COOH"	132.026685
"1647271"	555.21758	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+Na+CF3COOH"	136.98208
"1578548"	571.19152	"C10746"	"Phyllanthin"	"C24H34O6"	"418.2355"	"M+K+CF3COOH"	152.95602
"805632"	232.1576	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M"	0
"979164"	213.13921	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-H2O-H"	-19.01839
"69593"	153.764457333333	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M-3H"	-3.021828
"504780"	231.150324	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M-3H"	-3.021828
"881488"	76.3785906666667	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-3H"	-3.021828
"3343"	231.150324	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M-2H"	-2.014552
"440835"	347.229124	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M-2H"	-2.014552
"819246"	115.071524	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-2H"	-2.014552
"80332"	463.307924	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M-H"	-1.007276
"526821"	695.465524	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M-H"	-1.007276
"899153"	231.150324	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-H"	-1.007276
"49153"	480.334471	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M-2H+NH4"	16.019271
"489441"	712.492071	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M-2H+NH4"	16.019271
"867978"	248.176871	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-2H+NH4"	16.019271
"35879"	485.289866	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M-2H+Na"	20.974666
"476169"	717.447466	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M-2H+Na"	20.974666
"854334"	253.132266	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-2H+Na"	20.974666
"1624596"	253.132266	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Na-2H"	20.974666
"98935"	249.138663	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M-H+Cl"	33.962126
"536672"	365.217463	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M-H+Cl"	33.962126
"930554"	133.059863	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-H+Cl"	33.962126
"274945"	499.284602	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+Cl"	34.969402
"661533"	731.442202	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+Cl"	34.969402
"1275759"	267.127002	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Cl"	34.969402
"16975"	501.263806	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M-2H+K"	36.948606
"458610"	733.421406	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M-2H+K"	36.948606
"835316"	269.106206	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-2H+K"	36.948606
"1555887"	269.106206	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+K-2H"	36.948606
"942853"	277.155794	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-H+HCOOH"	44.998194
"361466"	509.313401	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+HCOOH-H"	44.998201
"346841"	523.329051	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+Hac-H"	59.013851
"1494702"	291.171451	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Hac-H"	59.013851
"959083"	299.137751	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-H+NaCOOH"	66.980151
"112974"	267.127002	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+2Cl"	69.938804
"552536"	383.205802	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+2Cl"	69.938804
"1024615"	151.048202	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2Cl"	69.938804
"1249662"	311.076485	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Br"	78.918885
"1311017"	313.132472	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Cl+HCOOH"	80.974872
"1333621"	335.114429	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Cl+NaCOOH"	102.956829
"926871"	345.143186	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M-H+CF3COOH"	112.985586
"1298467"	381.119864	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Cl+CF3COOH"	148.962264
"1381737"	197.144924	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H-2H2O"	-35.012676
"1386479"	215.1549	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H-H2O"	-17.0027
"287256"	465.322476	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+H"	1.007276
"686237"	697.480076	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+H"	1.007276
"1364774"	233.164876	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H"	1.007276
"134383"	233.164876	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+2H"	2.014552
"579412"	349.243676	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+2H"	2.014552
"1038736"	117.086076	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2H"	2.014552
"207001"	155.779009333333	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+3H"	3.021828
"645468"	233.164876	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+3H"	3.021828
"1165417"	78.3931426666667	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+3H"	3.021828
"424919"	482.349023	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+NH4"	18.033823
"791142"	714.506623	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+NH4"	18.033823
"1685286"	250.191423	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+NH4"	18.033823
"339397"	241.6781495	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+H+NH4"	19.041099
"735098"	357.7569495	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+H+NH4"	19.041099
"1492200"	125.5993495	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H+NH4"	19.041099
"403223"	487.304418	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+Na"	22.989218
"765313"	719.462018	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+Na"	22.989218
"1611224"	255.146818	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Na"	22.989218
"323449"	244.155847	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+H+Na"	23.996494
"718056"	360.234647	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+H+Na"	23.996494
"1470782"	128.077047	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H+Na"	23.996494
"1055283"	85.7204566666667	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2H+Na"	25.00377
"1258796"	265.191086	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+CH3OH+H"	33.033486
"382112"	503.278358	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+K"	38.963158
"744202"	735.435958	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+K"	38.963158
"1546259"	271.120758	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+K"	38.963158
"312434"	252.142817	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+H+K"	39.970434
"702058"	368.221617	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+H+K"	39.970434
"1459896"	136.064017	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H+K"	39.970434
"250199"	506.349026	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+ACN+H"	42.033826
"1220837"	274.191426	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+ACN+H"	42.033826
"1205816"	137.599351	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+ACN+2H"	43.041102
"194313"	509.28636	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+2Na-H"	44.97116
"631688"	741.44396	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+2Na-H"	44.97116
"1134099"	277.12876	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2Na-H"	44.97116
"176297"	255.146818	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+2Na"	45.978436
"616951"	371.225618	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+2Na"	45.978436
"1117298"	139.068018	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2Na"	45.978436
"1406167"	93.0477706666667	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H+2Na"	46.985712
"1432817"	279.170346	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H+HCOOH"	47.012746
"221418"	260.17984	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+3H2O+2H"	56.04448
"1511669"	293.22239	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+IsoProp+H"	61.06479
"410261"	263.133788	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+Na+K"	61.952376
"772349"	379.212588	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+Na+K"	61.952376
"1668679"	147.054988	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Na+K"	61.952376
"252403"	528.330968	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+ACN+Na"	64.015768
"1231183"	296.173368	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+ACN+Na"	64.015768
"1717891"	296.196893	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+NH4+HCOOH"	64.039293
"1178538"	100.375084666667	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+3Na"	68.967654
"1651311"	301.152288	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Na+HCOOH"	68.994688
"159999"	541.23424	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+2K-H"	76.91904
"600649"	773.39184	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+2K-H"	76.91904
"1093919"	309.07664	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2K-H"	76.91904
"150733"	271.120758	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"2M+2K"	77.926316
"591391"	387.199558	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"3M+2K"	77.926316
"1078089"	155.041958	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2K"	77.926316
"1109109"	311.091192	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2K+H"	78.933592
"1343306"	311.178807	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+DMSO+H"	79.021207
"1011834"	315.217976	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2ACN+H"	83.060376
"1539650"	316.211608	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+IsoProp+Na+H"	84.054008
"1000788"	158.112626	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+2ACN+2H"	84.067652
"1598572"	317.126228	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+K+HCOOH"	84.968628
"1424233"	347.157738	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+H+CF3COOH"	115.000138
"1155612"	178.625901	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+3ACN+2H"	125.094202
"1708446"	364.184285	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+NH4+CF3COOH"	132.026685
"1649204"	369.13968	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+Na+CF3COOH"	136.98208
"1578658"	385.11362	"C10747"	"Albine"	"C14H20N2O"	"232.1576"	"M+K+CF3COOH"	152.95602
"805742"	232.1939	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M"	0
"980367"	213.17551	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-H2O-H"	-19.01839
"69703"	153.788657333333	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M-3H"	-3.021828
"505983"	231.186624	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M-3H"	-3.021828
"882692"	76.3906906666667	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-3H"	-3.021828
"3453"	231.186624	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M-2H"	-2.014552
"442646"	347.283574	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M-2H"	-2.014552
"817775"	115.089674	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-2H"	-2.014552
"80442"	463.380524	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M-H"	-1.007276
"528024"	695.574424	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M-H"	-1.007276
"900358"	231.186624	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-H"	-1.007276
"48532"	480.407071	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M-2H+NH4"	16.019271
"488210"	712.600971	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M-2H+NH4"	16.019271
"869545"	248.213171	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-2H+NH4"	16.019271
"36717"	485.362466	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M-2H+Na"	20.974666
"481748"	717.556366	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M-2H+Na"	20.974666
"859549"	253.168566	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-2H+Na"	20.974666
"1627989"	253.168566	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Na-2H"	20.974666
"103423"	249.174963	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M-H+Cl"	33.962126
"542982"	365.271913	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M-H+Cl"	33.962126
"935405"	133.078013	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-H+Cl"	33.962126
"273962"	499.357202	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+Cl"	34.969402
"661643"	731.551102	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+Cl"	34.969402
"1276962"	267.163302	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Cl"	34.969402
"17330"	501.336406	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M-2H+K"	36.948606
"457746"	733.530306	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M-2H+K"	36.948606
"837612"	269.142506	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-2H+K"	36.948606
"1557091"	269.142506	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+K-2H"	36.948606
"944002"	277.192094	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-H+HCOOH"	44.998194
"362216"	509.386001	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+HCOOH-H"	44.998201
"346951"	523.401651	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+Hac-H"	59.013851
"1494448"	291.207751	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Hac-H"	59.013851
"959432"	299.174051	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-H+NaCOOH"	66.980151
"113084"	267.163302	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+2Cl"	69.938804
"552646"	383.260252	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+2Cl"	69.938804
"1023632"	151.066352	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2Cl"	69.938804
"1245398"	311.112785	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Br"	78.918885
"1308941"	313.168772	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Cl+HCOOH"	80.974872
"1330813"	335.150729	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Cl+NaCOOH"	102.956829
"919688"	345.179486	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M-H+CF3COOH"	112.985586
"1294204"	381.156164	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Cl+CF3COOH"	148.962264
"1379295"	197.181224	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H-2H2O"	-35.012676
"1386588"	215.1912	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H-H2O"	-17.0027
"287365"	465.395076	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+H"	1.007276
"685254"	697.588976	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+H"	1.007276
"1363790"	233.201176	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H"	1.007276
"131213"	233.201176	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+2H"	2.014552
"577334"	349.298126	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+2H"	2.014552
"1038843"	117.104226	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2H"	2.014552
"205044"	155.803209333333	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+3H"	3.021828
"645215"	233.201176	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+3H"	3.021828
"1163093"	78.4052426666667	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+3H"	3.021828
"424906"	482.421623	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+NH4"	18.033823
"786630"	714.615523	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+NH4"	18.033823
"1681500"	250.227723	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+NH4"	18.033823
"335496"	241.7144495	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+H+NH4"	19.041099
"730834"	357.8113995	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+H+NH4"	19.041099
"1487936"	125.6174995	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H+NH4"	19.041099
"400054"	487.377018	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+Na"	22.989218
"762142"	719.570918	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+Na"	22.989218
"1609147"	255.183118	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Na"	22.989218
"321372"	244.192147	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+H+Na"	23.996494
"714887"	360.289097	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+H+Na"	23.996494
"1466518"	128.095197	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H+Na"	23.996494
"1059765"	85.7325566666667	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2H+Na"	25.00377
"1258418"	265.227386	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+CH3OH+H"	33.033486
"379670"	503.350958	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+K"	38.963158
"741395"	735.544858	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+K"	38.963158
"1546369"	271.157058	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+K"	38.963158
"311940"	252.179117	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+H+K"	39.970434
"702532"	368.276067	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+H+K"	39.970434
"1460373"	136.082167	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H+K"	39.970434
"249701"	506.421626	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+ACN+H"	42.033826
"1223134"	274.227726	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+ACN+H"	42.033826
"1205925"	137.617501	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+ACN+2H"	43.041102
"192237"	509.35896	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+2Na-H"	44.97116
"633984"	741.55286	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+2Na-H"	44.97116
"1135303"	277.16506	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2Na-H"	44.97116
"181873"	255.183118	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+2Na"	45.978436
"619248"	371.280068	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+2Na"	45.978436
"1118380"	139.086168	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2Na"	45.978436
"1409557"	93.0598706666667	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H+2Na"	46.985712
"1432927"	279.206646	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H+HCOOH"	47.012746
"220051"	260.21614	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+3H2O+2H"	56.04448
"1513965"	293.25869	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+IsoProp+H"	61.06479
"411464"	263.170088	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+Na+K"	61.952376
"771730"	379.267038	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+Na+K"	61.952376
"1668789"	147.073138	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Na+K"	61.952376
"253485"	528.403568	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+ACN+Na"	64.015768
"1231293"	296.209668	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+ACN+Na"	64.015768
"1719094"	296.233193	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+NH4+HCOOH"	64.039293
"1180074"	100.387184666667	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+3Na"	68.967654
"1651421"	301.188588	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Na+HCOOH"	68.994688
"162295"	541.30684	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+2K-H"	76.91904
"599666"	773.50074	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+2K-H"	76.91904
"1098401"	309.11294	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2K-H"	76.91904
"150843"	271.157058	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"2M+2K"	77.926316
"594780"	387.254008	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"3M+2K"	77.926316
"1080385"	155.060108	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2K"	77.926316
"1109219"	311.127492	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2K+H"	78.933592
"1345603"	311.215107	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+DMSO+H"	79.021207
"1013037"	315.254276	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2ACN+H"	83.060376
"1530072"	316.247908	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+IsoProp+Na+H"	84.054008
"1000896"	158.130776	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+2ACN+2H"	84.067652
"1600868"	317.162528	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+K+HCOOH"	84.968628
"1425436"	347.194038	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+H+CF3COOH"	115.000138
"1159002"	178.644051	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+3ACN+2H"	125.094202
"1707463"	364.220585	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+NH4+CF3COOH"	132.026685
"1648221"	369.17598	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+Na+CF3COOH"	136.98208
"1578768"	385.14992	"C10748"	"Aloperine"	"C15H24N2"	"232.1939"	"M+K+CF3COOH"	152.95602
"802572"	264.1838	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M"	0
"980477"	245.16541	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-H2O-H"	-19.01839
"68720"	175.115257333333	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M-3H"	-3.021828
"503906"	263.176524	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M-3H"	-3.021828
"883166"	87.0539906666667	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-3H"	-3.021828
"9030"	263.176524	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M-2H"	-2.014552
"442757"	395.268424	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M-2H"	-2.014552
"820926"	131.084624	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-2H"	-2.014552
"85294"	527.360324	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M-H"	-1.007276
"527043"	791.544124	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M-H"	-1.007276
"902656"	263.176524	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-H"	-1.007276
"50832"	544.386871	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M-2H+NH4"	16.019271
"498780"	808.570671	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M-2H+NH4"	16.019271
"871114"	280.203071	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-2H+NH4"	16.019271
"42296"	549.342266	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M-2H+Na"	20.974666
"481860"	813.526066	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M-2H+Na"	20.974666
"858568"	285.158466	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-2H+Na"	20.974666
"1628098"	285.158466	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Na-2H"	20.974666
"104626"	281.164863	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M-H+Cl"	33.962126
"538353"	413.256763	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M-H+Cl"	33.962126
"931138"	149.072963	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-H+Cl"	33.962126
"275163"	563.337002	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+Cl"	34.969402
"663211"	827.520802	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+Cl"	34.969402
"1281082"	299.153202	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Cl"	34.969402
"19628"	565.316206	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M-2H+K"	36.948606
"459193"	829.500006	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M-2H+K"	36.948606
"837722"	301.132406	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-2H+K"	36.948606
"1560116"	301.132406	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+K-2H"	36.948606
"944477"	309.181994	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-H+HCOOH"	44.998194
"365121"	573.365801	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+HCOOH-H"	44.998201
"347910"	587.381451	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+Hac-H"	59.013851
"1497837"	323.197651	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Hac-H"	59.013851
"961372"	331.163951	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-H+NaCOOH"	66.980151
"111249"	299.153202	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+2Cl"	69.938804
"552756"	431.245102	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+2Cl"	69.938804
"1023742"	167.061302	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2Cl"	69.938804
"1242345"	343.102685	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Br"	78.918885
"1311237"	345.158672	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Cl+HCOOH"	80.974872
"1330923"	367.140629	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Cl+NaCOOH"	102.956829
"920891"	377.169386	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M-H+CF3COOH"	112.985586
"1297596"	413.146064	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Cl+CF3COOH"	148.962264
"1382720"	229.171124	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H-2H2O"	-35.012676
"1388886"	247.1811	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H-H2O"	-17.0027
"287478"	529.374876	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+H"	1.007276
"682084"	793.558676	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+H"	1.007276
"1360621"	265.191076	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H"	1.007276
"136791"	265.191076	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+2H"	2.014552
"573070"	397.282976	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+2H"	2.014552
"1039321"	133.099176	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2H"	2.014552
"207950"	177.129809333333	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+3H"	3.021828
"647150"	265.191076	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+3H"	3.021828
"1163813"	89.0685426666667	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+3H"	3.021828
"428179"	546.401423	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+NH4"	18.033823
"789904"	810.585223	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+NH4"	18.033823
"1684046"	282.217623	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+NH4"	18.033823
"336336"	273.7043495	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+H+NH4"	19.041099
"732038"	405.7962495	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+H+NH4"	19.041099
"1485859"	141.6124495	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H+NH4"	19.041099
"403444"	551.356818	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+Na"	22.989218
"764442"	815.540618	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+Na"	22.989218
"1608168"	287.173018	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Na"	22.989218
"326949"	276.182047	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+H+Na"	23.996494
"714997"	408.273947	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+H+Na"	23.996494
"1469908"	144.090147	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H+Na"	23.996494
"1062061"	96.3958566666667	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2H+Na"	25.00377
"1258163"	297.217286	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+CH3OH+H"	33.033486
"379044"	567.330758	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+K"	38.963158
"739315"	831.514558	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+K"	38.963158
"1546479"	303.146958	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+K"	38.963158
"305842"	284.169017	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+H+K"	39.970434
"704464"	416.260917	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+H+K"	39.970434
"1457559"	152.077117	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H+K"	39.970434
"247253"	570.401426	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+ACN+H"	42.033826
"1221056"	306.217626	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+ACN+H"	42.033826
"1206034"	153.612451	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+ACN+2H"	43.041102
"190158"	573.33876	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+2Na-H"	44.97116
"630810"	837.52256	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+2Na-H"	44.97116
"1132613"	309.15496	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2Na-H"	44.97116
"178700"	287.173018	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+2Na"	45.978436
"616075"	419.264918	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+2Na"	45.978436
"1123955"	155.081118	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2Na"	45.978436
"1406382"	103.723170666667	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H+2Na"	46.985712
"1433032"	311.196546	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H+HCOOH"	47.012746
"221999"	292.20604	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+3H2O+2H"	56.04448
"1509572"	325.24859	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+IsoProp+H"	61.06479
"410110"	295.159988	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+Na+K"	61.952376
"772564"	427.251888	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+Na+K"	61.952376
"1666582"	163.068088	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Na+K"	61.952376
"253227"	592.383368	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+ACN+Na"	64.015768
"1229214"	328.199568	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+ACN+Na"	64.015768
"1715924"	328.223093	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+NH4+HCOOH"	64.039293
"1182005"	111.050484666667	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+3Na"	68.967654
"1652623"	333.178488	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Na+HCOOH"	68.994688
"160583"	605.28664	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+2K-H"	76.91904
"603054"	869.47044	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+2K-H"	76.91904
"1096325"	341.10284	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2K-H"	76.91904
"150953"	303.146958	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"2M+2K"	77.926316
"592704"	435.238858	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"3M+2K"	77.926316
"1076120"	171.055058	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2K"	77.926316
"1107142"	343.117392	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2K+H"	78.933592
"1345713"	343.205007	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+DMSO+H"	79.021207
"1013148"	347.244176	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2ACN+H"	83.060376
"1533462"	348.237808	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+IsoProp+Na+H"	84.054008
"996631"	174.125726	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+2ACN+2H"	84.067652
"1595509"	349.152428	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+K+HCOOH"	84.968628
"1424450"	379.183938	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+H+CF3COOH"	115.000138
"1158019"	194.639001	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+3ACN+2H"	125.094202
"1710853"	396.210485	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+NH4+CF3COOH"	132.026685
"1648331"	401.16588	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+Na+CF3COOH"	136.98208
"1578878"	417.13982	"C10749"	"Ammothamnine;Oxymatrine;Matrine N-oxide"	"C15H24N2O2"	"264.1838"	"M+K+CF3COOH"	152.95602
"801784"	244.1576	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M"	0
"974545"	225.13921	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-H2O-H"	-19.01839
"63152"	161.764457333333	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M-3H"	-3.021828
"504014"	243.150324	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M-3H"	-3.021828
"881574"	80.3785906666667	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-3H"	-3.021828
"11327"	243.150324	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M-2H"	-2.014552
"440435"	365.229124	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M-2H"	-2.014552
"818484"	121.071524	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-2H"	-2.014552
"81030"	487.307924	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M-H"	-1.007276
"526060"	731.465524	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M-H"	-1.007276
"900579"	243.150324	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-H"	-1.007276
"50942"	504.334471	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M-2H+NH4"	16.019271
"498890"	748.492071	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M-2H+NH4"	16.019271
"872317"	260.176871	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-2H+NH4"	16.019271
"42406"	509.289866	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M-2H+Na"	20.974666
"480878"	753.447466	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M-2H+Na"	20.974666
"857585"	265.132266	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-2H+Na"	20.974666
"1628209"	265.132266	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Na-2H"	20.974666
"100364"	261.138663	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M-H+Cl"	33.962126
"539924"	383.217463	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M-H+Cl"	33.962126
"932344"	139.059863	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-H+Cl"	33.962126
"277462"	523.284602	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+Cl"	34.969402
"662958"	767.442202	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+Cl"	34.969402
"1279005"	279.127002	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Cl"	34.969402
"17551"	525.263806	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M-2H+K"	36.948606
"458940"	769.421406	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M-2H+K"	36.948606
"835647"	281.106206	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-2H+K"	36.948606
"1558040"	281.106206	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+K-2H"	36.948606
"944831"	289.155794	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-H+HCOOH"	44.998194
"363409"	533.313401	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+HCOOH-H"	44.998201
"346320"	547.329051	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+Hac-H"	59.013851
"1494668"	303.171451	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Hac-H"	59.013851
"961118"	311.137751	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-H+NaCOOH"	66.980151
"112212"	279.127002	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+2Cl"	69.938804
"556146"	401.205802	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+2Cl"	69.938804
"1023852"	157.048202	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2Cl"	69.938804
"1241644"	323.076485	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Br"	78.918885
"1308066"	325.132472	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Cl+HCOOH"	80.974872
"1327752"	347.114429	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Cl+NaCOOH"	102.956829
"918814"	357.143186	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M-H+CF3COOH"	112.985586
"1297706"	393.119864	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Cl+CF3COOH"	148.962264
"1378058"	209.144924	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H-2H2O"	-35.012676
"1384258"	227.1549	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H-H2O"	-17.0027
"286494"	489.322476	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+H"	1.007276
"679280"	733.480076	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+H"	1.007276
"1357450"	245.164876	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H"	1.007276
"131433"	245.164876	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+2H"	2.014552
"573181"	367.243676	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+2H"	2.014552
"1039431"	123.086076	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2H"	2.014552
"205873"	163.779009333333	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+3H"	3.021828
"645799"	245.164876	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+3H"	3.021828
"1163560"	82.3931426666667	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+3H"	3.021828
"425009"	506.349023	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+NH4"	18.033823
"789651"	750.506623	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+NH4"	18.033823
"1684157"	262.191423	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+NH4"	18.033823
"335351"	253.6781495	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+H+NH4"	19.041099
"729961"	375.7569495	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+H+NH4"	19.041099
"1488157"	131.5993495	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H+NH4"	19.041099
"399179"	511.304418	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+Na"	22.989218
"765645"	755.462018	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+Na"	22.989218
"1612651"	267.146818	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Na"	22.989218
"327426"	256.155847	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+H+Na"	23.996494
"717293"	378.234647	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+H+Na"	23.996494
"1471112"	134.077047	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H+Na"	23.996494
"1061078"	89.7204566666667	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2H+Na"	25.00377
"1257170"	277.191086	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+CH3OH+H"	33.033486
"377491"	527.278358	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+K"	38.963158
"738940"	771.435958	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+K"	38.963158
"1544399"	283.120758	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+K"	38.963158
"307045"	264.142817	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+H+K"	39.970434
"703844"	386.221617	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+H+K"	39.970434
"1456573"	142.064017	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H+K"	39.970434
"244082"	530.349026	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+ACN+H"	42.033826
"1220073"	286.191426	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+ACN+H"	42.033826
"1203956"	143.599351	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+ACN+2H"	43.041102
"197919"	533.28636	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+2Na-H"	44.97116
"630431"	777.44396	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+2Na-H"	44.97116
"1132239"	289.12876	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2Na-H"	44.97116
"177718"	267.146818	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+2Na"	45.978436
"616186"	389.225618	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+2Na"	45.978436
"1122972"	145.068018	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2Na"	45.978436
"1409773"	97.0477706666667	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H+2Na"	46.985712
"1435329"	291.170346	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H+HCOOH"	47.012746
"221864"	272.17984	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+3H2O+2H"	56.04448
"1509927"	305.22239	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+IsoProp+H"	61.06479
"412769"	275.133788	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+Na+K"	61.952376
"771579"	397.212588	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+Na+K"	61.952376
"1666207"	153.054988	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Na+K"	61.952376
"253337"	552.330968	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+ACN+Na"	64.015768
"1229325"	308.173368	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+ACN+Na"	64.015768
"1717126"	308.196893	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+NH4+HCOOH"	64.039293
"1183571"	104.375084666667	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+3Na"	68.967654
"1653462"	313.152288	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Na+HCOOH"	68.994688
"161422"	565.23424	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+2K-H"	76.91904
"600978"	809.39184	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+2K-H"	76.91904
"1088775"	321.07664	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2K-H"	76.91904
"151063"	283.120758	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"2M+2K"	77.926316
"592813"	405.199558	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"3M+2K"	77.926316
"1074043"	161.041958	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2K"	77.926316
"1108343"	323.091192	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2K+H"	78.933592
"1342541"	323.178807	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+DMSO+H"	79.021207
"1012165"	327.217976	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2ACN+H"	83.060376
"1531385"	328.211608	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+IsoProp+Na+H"	84.054008
"998923"	164.112626	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+2ACN+2H"	84.067652
"1593432"	329.126228	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+K+HCOOH"	84.968628
"1424560"	359.157738	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+H+CF3COOH"	115.000138
"1158129"	184.625901	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+3ACN+2H"	125.094202
"1708776"	376.184285	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+NH4+CF3COOH"	132.026685
"1649170"	381.13968	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+Na+CF3COOH"	136.98208
"1578988"	397.11362	"C10750"	"Anagyrine"	"C15H20N2O"	"244.1576"	"M+K+CF3COOH"	152.95602
"801698"	234.1732	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M"	0
"974357"	215.15481	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-H2O-H"	-19.01839
"62919"	155.108190666667	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M-3H"	-3.021828
"503639"	233.165924	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M-3H"	-3.021828
"881320"	77.0504573333333	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-3H"	-3.021828
"11437"	233.165924	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M-2H"	-2.014552
"440013"	350.252524	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M-2H"	-2.014552
"817540"	116.079324	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-2H"	-2.014552
"81140"	467.339124	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M-H"	-1.007276
"521795"	701.512324	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M-H"	-1.007276
"898500"	233.165924	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-H"	-1.007276
"50688"	484.365671	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M-2H+NH4"	16.019271
"499000"	718.538871	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M-2H+NH4"	16.019271
"870240"	250.192471	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-2H+NH4"	16.019271
"35225"	489.321066	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M-2H+Na"	20.974666
"483174"	723.494266	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M-2H+Na"	20.974666
"858788"	255.147866	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-2H+Na"	20.974666
"1631599"	255.147866	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Na-2H"	20.974666
"103754"	251.154263	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M-H+Cl"	33.962126
"538941"	368.240863	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M-H+Cl"	33.962126
"931361"	134.067663	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-H+Cl"	33.962126
"273199"	503.315802	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+Cl"	34.969402
"660518"	737.489002	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+Cl"	34.969402
"1276929"	269.142602	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Cl"	34.969402
"17052"	505.295006	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M-2H+K"	36.948606
"456134"	739.468206	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M-2H+K"	36.948606
"833935"	271.121806	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-2H+K"	36.948606
"1555757"	271.121806	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+K-2H"	36.948606
"946033"	279.171394	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-H+HCOOH"	44.998194
"364248"	513.344601	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+HCOOH-H"	44.998201
"348130"	527.360251	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+Hac-H"	59.013851
"1494779"	293.187051	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Hac-H"	59.013851
"960131"	301.153351	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-H+NaCOOH"	66.980151
"116695"	269.142602	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+2Cl"	69.938804
"551514"	386.229202	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+2Cl"	69.938804
"1022137"	152.056002	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2Cl"	69.938804
"1243170"	313.092085	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Br"	78.918885
"1306351"	315.148072	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Cl+HCOOH"	80.974872
"1324580"	337.130029	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Cl+NaCOOH"	102.956829
"916738"	347.158786	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M-H+CF3COOH"	112.985586
"1297816"	383.135464	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Cl+CF3COOH"	148.962264
"1375981"	199.160524	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H-2H2O"	-35.012676
"1384368"	217.1705	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H-H2O"	-17.0027
"284418"	469.353676	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+H"	1.007276
"679026"	703.526876	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+H"	1.007276
"1356832"	235.180476	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H"	1.007276
"134823"	235.180476	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+2H"	2.014552
"577665"	352.267076	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+2H"	2.014552
"1039539"	118.093876	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2H"	2.014552
"205254"	157.122742666667	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+3H"	3.021828
"645909"	235.180476	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+3H"	3.021828
"1164034"	79.0650093333333	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+3H"	3.021828
"426577"	486.380223	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+NH4"	18.033823
"790853"	720.553423	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+NH4"	18.033823
"1684267"	252.207023	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+NH4"	18.033823
"334369"	243.6937495	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+H+NH4"	19.041099
"734446"	360.7803495	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+H+NH4"	19.041099
"1487173"	126.6071495	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H+NH4"	19.041099
"400383"	491.335618	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+Na"	22.989218
"761381"	725.508818	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+Na"	22.989218
"1612759"	257.162418	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Na"	22.989218
"322796"	246.171447	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+H+Na"	23.996494
"716309"	363.258047	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+H+Na"	23.996494
"1469034"	129.084847	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H+Na"	23.996494
"1055719"	86.3923233333333	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2H+Na"	25.00377
"1258984"	267.206686	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+CH3OH+H"	33.033486
"377278"	507.309558	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+K"	38.963158
"739172"	741.482758	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+K"	38.963158
"1540858"	273.136358	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+K"	38.963158
"302410"	254.158417	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+H+K"	39.970434
"702862"	371.245017	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+H+K"	39.970434
"1460329"	137.071817	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H+K"	39.970434
"243098"	510.380226	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+ACN+H"	42.033826
"1221275"	276.207026	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+ACN+H"	42.033826
"1207345"	138.607151	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+ACN+2H"	43.041102
"198029"	513.31756	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+2Na-H"	44.97116
"630302"	747.49076	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+2Na-H"	44.97116
"1131863"	279.14436	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2Na-H"	44.97116
"178921"	257.162418	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+2Na"	45.978436
"619576"	374.249018	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+2Na"	45.978436
"1123083"	140.075818	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2Na"	45.978436
"1408790"	93.7196373333333	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H+2Na"	46.985712
"1434346"	281.185946	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H+HCOOH"	47.012746
"221852"	262.19544	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+3H2O+2H"	56.04448
"1509915"	295.23799	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+IsoProp+H"	61.06479
"412151"	265.149388	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+Na+K"	61.952376
"771323"	382.235988	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+Na+K"	61.952376
"1666927"	148.062788	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Na+K"	61.952376
"253448"	532.362168	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+ACN+Na"	64.015768
"1227977"	298.188968	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+ACN+Na"	64.015768
"1717236"	298.212493	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+NH4+HCOOH"	64.039293
"1181495"	101.046951333333	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+3Na"	68.967654
"1653572"	303.167888	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Na+HCOOH"	68.994688
"160803"	545.26544	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+2K-H"	76.91904
"599630"	779.43864	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+2K-H"	76.91904
"1089978"	311.09224	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2K-H"	76.91904
"151173"	273.136358	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"2M+2K"	77.926316
"591829"	390.222958	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"3M+2K"	77.926316
"1073060"	156.049758	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2K"	77.926316
"1108453"	313.106792	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2K+H"	78.933592
"1344838"	313.194407	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+DMSO+H"	79.021207
"1013368"	317.233576	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2ACN+H"	83.060376
"1533681"	318.227208	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+IsoProp+Na+H"	84.054008
"999033"	159.120426	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+2ACN+2H"	84.067652
"1595729"	319.141828	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+K+HCOOH"	84.968628
"1422483"	349.173338	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+H+CF3COOH"	115.000138
"1156052"	179.633701	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+3ACN+2H"	125.094202
"1703419"	366.199885	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+NH4+CF3COOH"	132.026685
"1649159"	371.15528	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+Na+CF3COOH"	136.98208
"1580191"	387.12922	"C10751"	"Angustifoline"	"C14H22N2O"	"234.1732"	"M+K+CF3COOH"	152.95602
"801590"	248.1889	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M"	0
"974606"	229.17051	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-H2O-H"	-19.01839
"63115"	164.451990666667	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M-3H"	-3.021828
"506787"	247.181624	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M-3H"	-3.021828
"884225"	81.7223573333333	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-3H"	-3.021828
"9361"	247.181624	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M-2H"	-2.014552
"440172"	371.276074	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M-2H"	-2.014552
"817326"	123.087174	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-2H"	-2.014552
"81250"	495.370524	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M-H"	-1.007276
"522998"	743.559424	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M-H"	-1.007276
"899339"	247.181624	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-H"	-1.007276
"50434"	512.397071	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M-2H+NH4"	16.019271
"496923"	760.585971	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M-2H+NH4"	16.019271
"870350"	264.208171	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-2H+NH4"	16.019271
"36063"	517.352466	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M-2H+Na"	20.974666
"480002"	765.541366	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M-2H+Na"	20.974666
"857803"	269.163566	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-2H+Na"	20.974666
"1627336"	269.163566	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Na-2H"	20.974666
"100584"	265.169963	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M-H+Cl"	33.962126
"540144"	389.264413	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M-H+Cl"	33.962126
"930378"	141.075513	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-H+Cl"	33.962126
"273309"	531.347202	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+Cl"	34.969402
"661356"	779.536102	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+Cl"	34.969402
"1275945"	283.158302	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Cl"	34.969402
"18500"	533.326406	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M-2H+K"	36.948606
"456320"	781.515306	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M-2H+K"	36.948606
"833027"	285.137506	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-2H+K"	36.948606
"1557529"	285.137506	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+K-2H"	36.948606
"942852"	293.187094	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-H+HCOOH"	44.998194
"364357"	541.376001	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+HCOOH-H"	44.998201
"346780"	555.391651	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+Hac-H"	59.013851
"1495982"	307.202751	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Hac-H"	59.013851
"959147"	315.169051	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-H+NaCOOH"	66.980151
"112431"	283.158302	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+2Cl"	69.938804
"551260"	407.252752	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+2Cl"	69.938804
"1024067"	159.063852	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2Cl"	69.938804
"1241948"	327.107785	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Br"	78.918885
"1306094"	329.163772	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Cl+HCOOH"	80.974872
"1324687"	351.145729	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Cl+NaCOOH"	102.956829
"913566"	361.174486	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M-H+CF3COOH"	112.985586
"1291363"	397.151164	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Cl+CF3COOH"	148.962264
"1372811"	213.176224	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H-2H2O"	-35.012676
"1383010"	231.1862	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H-H2O"	-17.0027
"284283"	497.385076	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+H"	1.007276
"676096"	745.573976	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+H"	1.007276
"1352081"	249.196176	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H"	1.007276
"130559"	249.196176	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+2H"	2.014552
"572307"	373.290626	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+2H"	2.014552
"1037702"	125.101726	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2H"	2.014552
"204952"	166.466542666667	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+3H"	3.021828
"645046"	249.196176	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+3H"	3.021828
"1163411"	83.7369093333333	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+3H"	3.021828
"424981"	514.411623	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+NH4"	18.033823
"787680"	762.600523	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+NH4"	18.033823
"1682917"	266.222723	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+NH4"	18.033823
"333385"	257.7094495	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+H+NH4"	19.041099
"726901"	381.8038995	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+H+NH4"	19.041099
"1484001"	133.6149995	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H+NH4"	19.041099
"396120"	519.367018	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+Na"	22.989218
"759301"	767.555918	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+Na"	22.989218
"1609585"	271.178118	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Na"	22.989218
"323997"	260.187147	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+H+Na"	23.996494
"715325"	384.281597	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+H+Na"	23.996494
"1471331"	136.092697	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H+Na"	23.996494
"1059109"	91.0642233333333	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2H+Na"	25.00377
"1260795"	281.222386	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+CH3OH+H"	33.033486
"379372"	535.340958	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+K"	38.963158
"739645"	783.529858	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+K"	38.963158
"1540477"	287.152058	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+K"	38.963158
"301425"	268.174117	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+H+K"	39.970434
"697860"	392.268567	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+H+K"	39.970434
"1455700"	144.079667	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H+K"	39.970434
"243208"	538.411626	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+ACN+H"	42.033826
"1215918"	290.222726	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+ACN+H"	42.033826
"1206362"	145.615001	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+ACN+2H"	43.041102
"195953"	541.34896	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+2Na-H"	44.97116
"636608"	789.53786	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+2Na-H"	44.97116
"1131499"	293.16006	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2Na-H"	44.97116
"177938"	271.178118	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+2Na"	45.978436
"618593"	395.272568	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+2Na"	45.978436
"1118819"	147.083668	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2Na"	45.978436
"1407807"	98.3915373333333	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H+2Na"	46.985712
"1434456"	295.201646	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H+HCOOH"	47.012746
"226338"	276.21114	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+3H2O+2H"	56.04448
"1510387"	309.25369	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+IsoProp+H"	61.06479
"412625"	279.165088	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+Na+K"	61.952376
"771793"	403.259538	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+Na+K"	61.952376
"1666303"	155.070638	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Na+K"	61.952376
"252459"	560.393568	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+ACN+Na"	64.015768
"1226994"	312.204668	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+ACN+Na"	64.015768
"1713333"	312.228193	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+NH4+HCOOH"	64.039293
"1180511"	105.718851333333	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+3Na"	68.967654
"1652589"	317.183588	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Na+HCOOH"	68.994688
"160912"	573.29684	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+2K-H"	76.91904
"600469"	821.48574	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+2K-H"	76.91904
"1090452"	325.10794	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2K-H"	76.91904
"148003"	287.152058	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"2M+2K"	77.926316
"593032"	411.246508	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"3M+2K"	77.926316
"1074263"	163.057608	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2K"	77.926316
"1107469"	327.122492	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2K+H"	78.933592
"1340574"	327.210107	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+DMSO+H"	79.021207
"1014571"	331.249276	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2ACN+H"	83.060376
"1532699"	332.242908	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+IsoProp+Na+H"	84.054008
"999143"	166.128276	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+2ACN+2H"	84.067652
"1594745"	333.157528	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+K+HCOOH"	84.968628
"1424780"	363.189038	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+H+CF3COOH"	115.000138
"1156162"	186.641551	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+3ACN+2H"	125.094202
"1706809"	380.215585	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+NH4+CF3COOH"	132.026685
"1649796"	385.17098	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+Na+CF3COOH"	136.98208
"1580301"	401.14492	"C10752"	"Aphylline;()-Aphylline"	"C15H24N2O"	"248.1889"	"M+K+CF3COOH"	152.95602
"803012"	406.2005	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M"	0
"975811"	387.18211	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-H2O-H"	-19.01839
"64055"	269.793057333333	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M-3H"	-3.021828
"506533"	405.193224	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M-3H"	-3.021828
"887615"	134.392890666667	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-3H"	-3.021828
"9471"	405.193224	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M-2H"	-2.014552
"441376"	608.293474	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M-2H"	-2.014552
"818449"	202.092974	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-2H"	-2.014552
"81724"	811.393724	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M-H"	-1.007276
"522379"	1217.594224	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M-H"	-1.007276
"899814"	405.193224	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-H"	-1.007276
"51272"	828.420271	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M-2H+NH4"	16.019271
"497033"	1234.620771	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M-2H+NH4"	16.019271
"870460"	422.219771	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-2H+NH4"	16.019271
"38361"	833.375666	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M-2H+Na"	20.974666
"483391"	1239.576166	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M-2H+Na"	20.974666
"857912"	427.175166	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-2H+Na"	20.974666
"1627446"	427.175166	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Na-2H"	20.974666
"101787"	423.181563	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M-H+Cl"	33.962126
"540254"	626.281813	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M-H+Cl"	33.962126
"935954"	220.081313	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-H+Cl"	33.962126
"275605"	847.370402	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+Cl"	34.969402
"663653"	1253.570902	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+Cl"	34.969402
"1277149"	441.169902	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Cl"	34.969402
"18612"	849.349606	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M-2H+K"	36.948606
"458174"	1255.550106	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M-2H+K"	36.948606
"834032"	443.149106	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-2H+K"	36.948606
"1558369"	443.149106	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+K-2H"	36.948606
"944186"	451.198694	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-H+HCOOH"	44.998194
"363372"	857.399201	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+HCOOH-H"	44.998201
"346894"	871.414851	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+Hac-H"	59.013851
"1494390"	465.214351	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Hac-H"	59.013851
"960716"	473.180651	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-H+NaCOOH"	66.980151
"114728"	441.169902	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+2Cl"	69.938804
"550641"	644.270152	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+2Cl"	69.938804
"1023086"	238.069652	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2Cl"	69.938804
"1243757"	485.119385	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Br"	78.918885
"1310581"	487.175372	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Cl+HCOOH"	80.974872
"1321151"	509.157329	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Cl+NaCOOH"	102.956829
"913675"	519.186086	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M-H+CF3COOH"	112.985586
"1294753"	555.162764	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Cl+CF3COOH"	148.962264
"1369641"	371.187824	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H-2H2O"	-35.012676
"1383491"	389.1978	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H-H2O"	-17.0027
"286460"	813.408276	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+H"	1.007276
"677422"	1219.608776	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+H"	1.007276
"1353771"	407.207776	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H"	1.007276
"127753"	407.207776	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+2H"	2.014552
"572781"	610.308026	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+2H"	2.014552
"1039393"	204.107526	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2H"	2.014552
"205469"	271.807609333333	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+3H"	3.021828
"646127"	407.207776	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+3H"	3.021828
"1165346"	136.407442666667	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+3H"	3.021828
"424972"	830.434823	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+NH4"	18.033823
"789249"	1236.635323	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+NH4"	18.033823
"1682662"	424.234323	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+NH4"	18.033823
"333130"	415.7210495	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+H+NH4"	19.041099
"726645"	618.8212995	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+H+NH4"	19.041099
"1483017"	212.6207995	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H+NH4"	19.041099
"395499"	835.390218	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+Na"	22.989218
"760502"	1241.590718	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+Na"	22.989218
"1613708"	429.189718	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Na"	22.989218
"327386"	418.198747	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+H+Na"	23.996494
"718716"	621.298997	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+H+Na"	23.996494
"1470348"	215.098497	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H+Na"	23.996494
"1058126"	143.734756666667	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2H+Na"	25.00377
"1260906"	439.233986	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+CH3OH+H"	33.033486
"380575"	851.364158	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+K"	38.963158
"741578"	1257.564658	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+K"	38.963158
"1543265"	445.163658	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+K"	38.963158
"304816"	426.185717	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+H+K"	39.970434
"697238"	629.285967	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+H+K"	39.970434
"1451789"	223.085467	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H+K"	39.970434
"243319"	854.434826	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+ACN+H"	42.033826
"1213840"	448.234326	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+ACN+H"	42.033826
"1201004"	224.620801	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+ACN+2H"	43.041102
"194969"	857.37216	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+2Na-H"	44.97116
"634529"	1263.57266	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+2Na-H"	44.97116
"1132206"	451.17166	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2Na-H"	44.97116
"179141"	429.189718	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+2Na"	45.978436
"617610"	632.289968	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+2Na"	45.978436
"1122209"	226.089468	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2Na"	45.978436
"1411198"	151.062070666667	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H+2Na"	46.985712
"1436753"	453.213246	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H+HCOOH"	47.012746
"223168"	434.22274	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+3H2O+2H"	56.04448
"1511591"	467.26529	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+IsoProp+H"	61.06479
"414196"	437.176688	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+Na+K"	61.952376
"774459"	640.276938	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+Na+K"	61.952376
"1666170"	234.076438	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Na+K"	61.952376
"253664"	876.416768	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+ACN+Na"	64.015768
"1228557"	470.216268	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+ACN+Na"	64.015768
"1713927"	470.239793	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+NH4+HCOOH"	64.039293
"1180257"	158.389384666667	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+3Na"	68.967654
"1653063"	475.195188	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Na+HCOOH"	68.994688
"160656"	889.32004	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+2K-H"	76.91904
"599121"	1295.52054	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+2K-H"	76.91904
"1088010"	483.11954	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2K-H"	76.91904
"150300"	445.163658	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"2M+2K"	77.926316
"593143"	648.263908	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"3M+2K"	77.926316
"1072187"	242.063408	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2K"	77.926316
"1106486"	485.134092	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2K+H"	78.933592
"1339589"	485.221707	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+DMSO+H"	79.021207
"1013587"	489.260876	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2ACN+H"	83.060376
"1533902"	490.254508	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+IsoProp+Na+H"	84.054008
"997067"	245.134076	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+2ACN+2H"	84.067652
"1597042"	491.169128	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+K+HCOOH"	84.968628
"1424890"	521.200638	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+H+CF3COOH"	115.000138
"1158459"	265.647351	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+3ACN+2H"	125.094202
"1703639"	538.227185	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+NH4+CF3COOH"	132.026685
"1649501"	543.18258	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+Na+CF3COOH"	136.98208
"1580411"	559.15652	"C10753"	"Argentine"	"C23H26N4O3"	"406.2005"	"M+K+CF3COOH"	152.95602
"809682"	262.1681	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M"	0
"985403"	243.14971	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-H2O-H"	-19.01839
"72551"	173.771457333333	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M-3H"	-3.021828
"507738"	261.160824	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M-3H"	-3.021828
"884446"	86.3820906666667	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-3H"	-3.021828
"5206"	261.160824	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M-2H"	-2.014552
"442582"	392.244874	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M-2H"	-2.014552
"818195"	130.076774	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-2H"	-2.014552
"82564"	523.328924	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M-H"	-1.007276
"524313"	785.497024	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M-H"	-1.007276
"899198"	261.160824	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-H"	-1.007276
"61595"	540.355471	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M-2H+NH4"	16.019271
"496050"	802.523571	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M-2H+NH4"	16.019271
"874945"	278.187371	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-2H+NH4"	16.019271
"42848"	545.310866	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M-2H+Na"	20.974666
"475479"	807.478966	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M-2H+Na"	20.974666
"858022"	283.142766	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-2H+Na"	20.974666
"1622813"	283.142766	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Na-2H"	20.974666
"97521"	279.149163	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M-H+Cl"	33.962126
"540363"	410.233213	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M-H+Cl"	33.962126
"934974"	148.065113	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-H+Cl"	33.962126
"274623"	559.305602	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+Cl"	34.969402
"661941"	821.473702	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+Cl"	34.969402
"1275196"	297.137502	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Cl"	34.969402
"17750"	561.284806	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M-2H+K"	36.948606
"456582"	823.452906	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M-2H+K"	36.948606
"835360"	299.116706	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-2H+K"	36.948606
"1555712"	299.116706	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+K-2H"	36.948606
"943324"	307.166294	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-H+HCOOH"	44.998194
"362754"	569.334401	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+HCOOH-H"	44.998201
"347734"	583.350051	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+Hac-H"	59.013851
"1493285"	321.181951	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Hac-H"	59.013851
"959004"	329.148251	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-H+NaCOOH"	66.980151
"114838"	297.137502	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+2Cl"	69.938804
"551847"	428.221552	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+2Cl"	69.938804
"1024291"	166.053452	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2Cl"	69.938804
"1246057"	341.086985	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Br"	78.918885
"1310692"	343.142972	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Cl+HCOOH"	80.974872
"1327095"	365.124929	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Cl+NaCOOH"	102.956829
"918157"	375.153686	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M-H+CF3COOH"	112.985586
"1295956"	411.130364	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Cl+CF3COOH"	148.962264
"1369020"	227.155424	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H-2H2O"	-35.012676
"1383278"	245.1654	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H-H2O"	-17.0027
"284383"	525.343476	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+H"	1.007276
"678627"	787.511576	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+H"	1.007276
"1351691"	263.175376	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H"	1.007276
"127131"	263.175376	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+2H"	2.014552
"570705"	394.259426	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+2H"	2.014552
"1039134"	132.091326	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2H"	2.014552
"205575"	175.786009333333	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+3H"	3.021828
"645874"	263.175376	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+3H"	3.021828
"1163021"	88.3966426666667	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+3H"	3.021828
"424593"	542.370023	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+NH4"	18.033823
"788265"	804.538123	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+NH4"	18.033823
"1682409"	280.201923	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+NH4"	18.033823
"331050"	271.6886495	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+H+NH4"	19.041099
"724201"	402.7726995	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+H+NH4"	19.041099
"1479481"	140.6045995	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H+NH4"	19.041099
"394149"	547.325418	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+Na"	22.989218
"757335"	809.493518	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+Na"	22.989218
"1604702"	285.157318	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Na"	22.989218
"322029"	274.166347	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+H+Na"	23.996494
"715546"	405.250397	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+H+Na"	23.996494
"1468271"	143.082297	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H+Na"	23.996494
"1059330"	95.7239566666667	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2H+Na"	25.00377
"1259923"	295.201586	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+CH3OH+H"	33.033486
"378498"	563.299358	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+K"	38.963158
"738926"	825.467458	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+K"	38.963158
"1541917"	301.131258	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+K"	38.963158
"302378"	282.153317	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+H+K"	39.970434
"696256"	413.237367	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+H+K"	39.970434
"1453726"	151.069267	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H+K"	39.970434
"245616"	566.370026	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+ACN+H"	42.033826
"1220511"	304.201926	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+ACN+H"	42.033826
"1207675"	152.604601	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+ACN+2H"	43.041102
"197265"	569.30736	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+2Na-H"	44.97116
"637921"	831.47546	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+2Na-H"	44.97116
"1133775"	307.13926	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2Na-H"	44.97116
"179251"	285.157318	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+2Na"	45.978436
"621001"	416.241368	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+2Na"	45.978436
"1120133"	154.073268	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2Na"	45.978436
"1412402"	103.051270666667	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H+2Na"	46.985712
"1437956"	309.180846	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H+HCOOH"	47.012746
"225465"	290.19034	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+3H2O+2H"	56.04448
"1508621"	323.23289	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+IsoProp+H"	61.06479
"414306"	293.144288	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+Na+K"	61.952376
"772017"	424.228338	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+Na+K"	61.952376
"1667011"	162.060238	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Na+K"	61.952376
"253046"	588.351968	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+ACN+Na"	64.015768
"1227214"	326.183868	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+ACN+Na"	64.015768
"1712856"	326.207393	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+NH4+HCOOH"	64.039293
"1179230"	110.378584666667	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+3Na"	68.967654
"1650745"	331.162788	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Na+HCOOH"	68.994688
"160403"	601.25524	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+2K-H"	76.91904
"598624"	863.42334	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+2K-H"	76.91904
"1087757"	339.08714	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2K-H"	76.91904
"147130"	301.131258	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"2M+2K"	77.926316
"594347"	432.215308	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"3M+2K"	77.926316
"1078859"	170.047208	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2K"	77.926316
"1106598"	341.101692	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2K+H"	78.933592
"1340065"	341.189307	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+DMSO+H"	79.021207
"1011512"	345.228476	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2ACN+H"	83.060376
"1531824"	346.222108	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+IsoProp+Na+H"	84.054008
"999367"	173.117876	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+2ACN+2H"	84.067652
"1597151"	347.136728	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+K+HCOOH"	84.968628
"1425000"	377.168238	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+H+CF3COOH"	115.000138
"1158569"	193.631151	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+3ACN+2H"	125.094202
"1707029"	394.194785	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+NH4+CF3COOH"	132.026685
"1641586"	399.15018	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+Na+CF3COOH"	136.98208
"1582708"	415.12412	"C10754"	"Argyrolobine"	"C15H22N2O2"	"262.1681"	"M+K+CF3COOH"	152.95602
"804325"	260.1525	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M"	0
"985513"	241.13411	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-H2O-H"	-19.01839
"72661"	172.427724	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M-3H"	-3.021828
"507848"	259.145224	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M-3H"	-3.021828
"881276"	85.710224	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-3H"	-3.021828
"5316"	259.145224	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M-2H"	-2.014552
"441599"	389.221474	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M-2H"	-2.014552
"817334"	129.068974	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-2H"	-2.014552
"83038"	519.297724	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M-H"	-1.007276
"524423"	779.450224	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M-H"	-1.007276
"900401"	259.145224	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-H"	-1.007276
"62637"	536.324271	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M-2H+NH4"	16.019271
"496160"	796.476771	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M-2H+NH4"	16.019271
"875055"	276.171771	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-2H+NH4"	16.019271
"42958"	541.279666	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M-2H+Na"	20.974666
"478141"	801.432166	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M-2H+Na"	20.974666
"858132"	281.127166	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-2H+Na"	20.974666
"1620007"	281.127166	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Na-2H"	20.974666
"99818"	277.133563	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M-H+Cl"	33.962126
"541566"	407.209813	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M-H+Cl"	33.962126
"936177"	147.057313	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-H+Cl"	33.962126
"274733"	555.274402	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+Cl"	34.969402
"663872"	815.426902	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+Cl"	34.969402
"1273846"	295.121902	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Cl"	34.969402
"16481"	557.253606	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M-2H+K"	36.948606
"456525"	817.406106	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M-2H+K"	36.948606
"833118"	297.101106	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-2H+K"	36.948606
"1555875"	297.101106	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+K-2H"	36.948606
"943388"	305.150694	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-H+HCOOH"	44.998194
"361891"	565.303201	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+HCOOH-H"	44.998201
"345837"	579.318851	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+Hac-H"	59.013851
"1493760"	319.166351	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Hac-H"	59.013851
"959108"	327.132651	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-H+NaCOOH"	66.980151
"110449"	295.121902	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+2Cl"	69.938804
"550738"	425.198152	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+2Cl"	69.938804
"1024766"	165.045652	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2Cl"	69.938804
"1245073"	339.071385	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Br"	78.918885
"1310804"	341.127372	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Cl+HCOOH"	80.974872
"1328302"	363.109329	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Cl+NaCOOH"	102.956829
"917175"	373.138086	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M-H+CF3COOH"	112.985586
"1293880"	409.114764	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Cl+CF3COOH"	148.962264
"1368765"	225.139824	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H-2H2O"	-35.012676
"1384806"	243.1498	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H-H2O"	-17.0027
"283031"	521.312276	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+H"	1.007276
"676915"	781.464776	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+H"	1.007276
"1355087"	261.159776	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H"	1.007276
"127609"	261.159776	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+2H"	2.014552
"570451"	391.236026	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+2H"	2.014552
"1039610"	131.083526	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2H"	2.014552
"205442"	174.442276	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+3H"	3.021828
"645134"	261.159776	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+3H"	3.021828
"1163379"	87.724776	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+3H"	3.021828
"424826"	538.338823	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+NH4"	18.033823
"787282"	798.491323	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+NH4"	18.033823
"1681627"	278.186323	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+NH4"	18.033823
"330797"	269.6730495	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+H+NH4"	19.041099
"725039"	399.7492995	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+H+NH4"	19.041099
"1478863"	139.5967995	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H+NH4"	19.041099
"396080"	543.294218	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+Na"	22.989218
"758538"	803.446718	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+Na"	22.989218
"1606633"	283.141718	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Na"	22.989218
"324326"	272.150747	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+H+Na"	23.996494
"718935"	402.226997	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+H+Na"	23.996494
"1468381"	142.074497	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H+Na"	23.996494
"1059440"	95.05209	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2H+Na"	25.00377
"1260033"	293.185986	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+CH3OH+H"	33.033486
"378972"	559.268158	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+K"	38.963158
"738639"	819.420658	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+K"	38.963158
"1542392"	299.115658	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+K"	38.963158
"303217"	280.137717	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+H+K"	39.970434
"694909"	410.213967	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+H+K"	39.970434
"1454929"	150.061467	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H+K"	39.970434
"245726"	562.338826	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+ACN+H"	42.033826
"1218434"	302.186326	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+ACN+H"	42.033826
"1204505"	151.596801	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+ACN+2H"	43.041102
"199563"	565.27616	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+2Na-H"	44.97116
"638031"	825.42866	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+2Na-H"	44.97116
"1133885"	305.12366	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2Na-H"	44.97116
"182641"	283.141718	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+2Na"	45.978436
"620383"	413.217968	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+2Na"	45.978436
"1117812"	153.065468	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2Na"	45.978436
"1402671"	102.379404	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H+2Na"	46.985712
"1440253"	307.165246	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H+HCOOH"	47.012746
"222659"	288.17474	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+3H2O+2H"	56.04448
"1508505"	321.21729	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+IsoProp+H"	61.06479
"413685"	291.128688	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+Na+K"	61.952376
"771765"	421.204938	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+Na+K"	61.952376
"1667001"	161.052438	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Na+K"	61.952376
"252184"	584.320768	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+ACN+Na"	64.015768
"1228053"	324.168268	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+ACN+Na"	64.015768
"1713173"	324.191793	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+NH4+HCOOH"	64.039293
"1179380"	109.706718	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+3Na"	68.967654
"1650611"	329.147188	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Na+HCOOH"	68.994688
"160878"	597.22404	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+2K-H"	76.91904
"598613"	857.37654	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+2K-H"	76.91904
"1087138"	337.07154	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2K-H"	76.91904
"147240"	299.115658	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"2M+2K"	77.926316
"594457"	429.191908	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"3M+2K"	77.926316
"1081155"	169.039408	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2K"	77.926316
"1105615"	339.086092	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2K+H"	78.933592
"1341998"	339.173707	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+DMSO+H"	79.021207
"1014902"	343.212876	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2ACN+H"	83.060376
"1535214"	344.206508	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+IsoProp+Na+H"	84.054008
"999477"	172.110076	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+2ACN+2H"	84.067652
"1597261"	345.121128	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+K+HCOOH"	84.968628
"1418548"	375.152638	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+H+CF3COOH"	115.000138
"1156492"	192.623351	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+3ACN+2H"	125.094202
"1707139"	392.179185	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+NH4+CF3COOH"	132.026685
"1641696"	397.13458	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+Na+CF3COOH"	136.98208
"1582818"	413.10852	"C10755"	"Baptifoline"	"C15H20N2O2"	"260.1525"	"M+K+CF3COOH"	152.95602
"803342"	282.1943	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M"	0
"985623"	263.17591	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-H2O-H"	-19.01839
"72771"	187.122257333333	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M-3H"	-3.021828
"506865"	281.187024	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M-3H"	-3.021828
"881386"	93.0574906666667	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-3H"	-3.021828
"5426"	281.187024	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M-2H"	-2.014552
"442802"	422.284174	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M-2H"	-2.014552
"817239"	140.089874	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-2H"	-2.014552
"81691"	563.381324	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M-H"	-1.007276
"523439"	845.575624	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M-H"	-1.007276
"900147"	281.187024	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-H"	-1.007276
"56711"	580.407871	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M-2H+NH4"	16.019271
"494083"	862.602171	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M-2H+NH4"	16.019271
"874072"	298.213571	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-2H+NH4"	16.019271
"43068"	585.363266	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M-2H+Na"	20.974666
"474970"	867.557566	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M-2H+Na"	20.974666
"858242"	303.168966	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-2H+Na"	20.974666
"1619023"	303.168966	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Na-2H"	20.974666
"96649"	299.175363	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M-H+Cl"	33.962126
"537304"	440.272513	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M-H+Cl"	33.962126
"936287"	158.078213	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-H+Cl"	33.962126
"273750"	599.358002	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+Cl"	34.969402
"661798"	881.552302	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+Cl"	34.969402
"1273103"	317.163702	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Cl"	34.969402
"22224"	601.337206	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M-2H+K"	36.948606
"455837"	883.531506	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M-2H+K"	36.948606
"833471"	319.142906	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-2H+K"	36.948606
"1555696"	319.142906	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+K-2H"	36.948606
"943667"	327.192494	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-H+HCOOH"	44.998194
"363340"	609.386801	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+HCOOH-H"	44.998201
"346128"	623.402451	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+Hac-H"	59.013851
"1495694"	341.208151	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Hac-H"	59.013851
"959225"	349.174451	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-H+NaCOOH"	66.980151
"111410"	317.163702	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+2Cl"	69.938804
"550848"	458.260852	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+2Cl"	69.938804
"1023783"	176.066552	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2Cl"	69.938804
"1245185"	361.113185	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Br"	78.918885
"1306542"	363.169172	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Cl+HCOOH"	80.974872
"1328412"	385.151129	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Cl+NaCOOH"	102.956829
"918379"	395.179886	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M-H+CF3COOH"	112.985586
"1292897"	431.156564	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Cl+CF3COOH"	148.962264
"1368146"	247.181624	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H-2H2O"	-35.012676
"1382927"	265.1916	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H-H2O"	-17.0027
"283505"	565.395876	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+H"	1.007276
"677025"	847.590176	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+H"	1.007276
"1351628"	283.201576	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H"	1.007276
"129907"	283.201576	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+2H"	2.014552
"570561"	424.298726	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+2H"	2.014552
"1039719"	142.104426	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2H"	2.014552
"206405"	189.136809333333	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+3H"	3.021828
"645119"	283.201576	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+3H"	3.021828
"1163367"	95.0720426666667	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+3H"	3.021828
"426031"	582.422423	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+NH4"	18.033823
"788121"	864.616723	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+NH4"	18.033823
"1683358"	300.228123	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+NH4"	18.033823
"331636"	291.7148495	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+H+NH4"	19.041099
"725514"	432.8119995	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+H+NH4"	19.041099
"1480067"	150.6176995	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H+NH4"	19.041099
"394369"	587.377818	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+Na"	22.989218
"760835"	869.572118	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+Na"	22.989218
"1607839"	305.183518	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Na"	22.989218
"324437"	294.192547	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+H+Na"	23.996494
"716858"	435.289697	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+H+Na"	23.996494
"1467398"	153.095397	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H+Na"	23.996494
"1060644"	102.399356666667	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2H+Na"	25.00377
"1257386"	315.227786	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+CH3OH+H"	33.033486
"377295"	603.351758	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+K"	38.963158
"738691"	885.546058	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+K"	38.963158
"1539975"	321.157458	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+K"	38.963158
"300047"	302.179517	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+H+K"	39.970434
"691778"	443.276667	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+H+K"	39.970434
"1453946"	161.082367	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H+K"	39.970434
"245836"	606.422426	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+ACN+H"	42.033826
"1219637"	324.228126	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+ACN+H"	42.033826
"1204615"	162.617701	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+ACN+2H"	43.041102
"197487"	609.35976	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+2Na-H"	44.97116
"641789"	891.55406	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+2Na-H"	44.97116
"1132293"	327.16546	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2Na-H"	44.97116
"182751"	305.183518	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+2Na"	45.978436
"617577"	446.280668	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+2Na"	45.978436
"1118530"	164.086368	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2Na"	45.978436
"1403875"	109.726670666667	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H+2Na"	46.985712
"1439999"	329.207046	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H+HCOOH"	47.012746
"222405"	310.21654	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+3H2O+2H"	56.04448
"1509127"	343.25909	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+IsoProp+H"	61.06479
"411609"	313.170488	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+Na+K"	61.952376
"770333"	454.267638	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+Na+K"	61.952376
"1668206"	172.073338	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Na+K"	61.952376
"254361"	628.404368	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+ACN+Na"	64.015768
"1227070"	346.210068	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+ACN+Na"	64.015768
"1713528"	346.233593	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+NH4+HCOOH"	64.039293
"1178640"	117.053984666667	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+3Na"	68.967654
"1650601"	351.188988	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Na+HCOOH"	68.994688
"161717"	641.30764	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+2K-H"	76.91904
"598723"	923.50194	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+2K-H"	76.91904
"1087248"	359.11334	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2K-H"	76.91904
"147350"	321.157458	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"2M+2K"	77.926316
"594567"	462.254608	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"3M+2K"	77.926316
"1081265"	180.060308	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2K"	77.926316
"1105725"	361.127892	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2K+H"	78.933592
"1341015"	361.215507	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+DMSO+H"	79.021207
"1015012"	365.254676	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2ACN+H"	83.060376
"1533139"	366.248308	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+IsoProp+Na+H"	84.054008
"997400"	183.130976	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+2ACN+2H"	84.067652
"1595184"	367.162928	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+K+HCOOH"	84.968628
"1417928"	397.194438	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+H+CF3COOH"	115.000138
"1153321"	203.644251	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+3ACN+2H"	125.094202
"1707249"	414.220985	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+NH4+CF3COOH"	132.026685
"1641806"	419.17638	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+Na+CF3COOH"	136.98208
"1582928"	435.15032	"C10756"	"Cadiamine"	"C15H26N2O3"	"282.1943"	"M+K+CF3COOH"	152.95602
"806732"	357.2052	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M"	0
"980267"	338.18681	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-H2O-H"	-19.01839
"69601"	237.129524	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M-3H"	-3.021828
"506975"	356.197924	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M-3H"	-3.021828
"880398"	118.061124	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-3H"	-3.021828
"5536"	356.197924	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M-2H"	-2.014552
"441453"	534.800524	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M-2H"	-2.014552
"817431"	177.595324	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-2H"	-2.014552
"81801"	713.403124	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M-H"	-1.007276
"526829"	1070.608324	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M-H"	-1.007276
"901350"	356.197924	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-H"	-1.007276
"59737"	730.429671	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M-2H+NH4"	16.019271
"493100"	1087.634871	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M-2H+NH4"	16.019271
"874182"	373.224471	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-2H+NH4"	16.019271
"43178"	735.385066	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M-2H+Na"	20.974666
"477269"	1092.590266	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M-2H+Na"	20.974666
"858352"	378.179866	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-2H+Na"	20.974666
"1622417"	378.179866	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Na-2H"	20.974666
"98947"	374.186263	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M-H+Cl"	33.962126
"536321"	552.788863	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M-H+Cl"	33.962126
"936397"	195.583663	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-H+Cl"	33.962126
"273860"	749.379802	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+Cl"	34.969402
"665187"	1106.585002	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+Cl"	34.969402
"1276496"	392.174602	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Cl"	34.969402
"24521"	751.359006	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M-2H+K"	36.948606
"458614"	1108.564206	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M-2H+K"	36.948606
"834232"	394.153806	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-2H+K"	36.948606
"1556017"	394.153806	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+K-2H"	36.948606
"943898"	402.203394	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-H+HCOOH"	44.998194
"364178"	759.408601	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+HCOOH-H"	44.998201
"347699"	773.424251	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+Hac-H"	59.013851
"1499814"	416.219051	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Hac-H"	59.013851
"959700"	424.185351	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-H+NaCOOH"	66.980151
"114074"	392.174602	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+2Cl"	69.938804
"551446"	570.777202	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+2Cl"	69.938804
"1022799"	213.572002	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2Cl"	69.938804
"1243469"	436.124085	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Br"	78.918885
"1307742"	438.180072	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Cl+HCOOH"	80.974872
"1324146"	460.162029	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Cl+NaCOOH"	102.956829
"914114"	470.190786	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M-H+CF3COOH"	112.985586
"1293008"	506.167464	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Cl+CF3COOH"	148.962264
"1370075"	322.192524	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H-2H2O"	-35.012676
"1383158"	340.2025	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H-H2O"	-17.0027
"283092"	715.417676	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+H"	1.007276
"676527"	1072.622876	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+H"	1.007276
"1354943"	358.212476	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H"	1.007276
"128195"	358.212476	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+2H"	2.014552
"570671"	536.815076	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+2H"	2.014552
"1037767"	179.609876	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2H"	2.014552
"204818"	239.144076	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+3H"	3.021828
"644987"	358.212476	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+3H"	3.021828
"1165427"	120.075676	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+3H"	3.021828
"427238"	732.444223	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+NH4"	18.033823
"789324"	1089.649423	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+NH4"	18.033823
"1685291"	375.239023	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+NH4"	18.033823
"332111"	366.7257495	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+H+NH4"	19.041099
"726355"	545.3283495	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+H+NH4"	19.041099
"1481272"	188.1231495	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H+NH4"	19.041099
"394117"	737.399618	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+Na"	22.989218
"758758"	1094.604818	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+Na"	22.989218
"1605762"	380.194418	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Na"	22.989218
"323454"	369.203447	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+H+Na"	23.996494
"715875"	547.806047	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+H+Na"	23.996494
"1468602"	190.600847	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H+Na"	23.996494
"1060753"	127.40299	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2H+Na"	25.00377
"1257454"	390.238686	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+CH3OH+H"	33.033486
"377367"	753.373558	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+K"	38.963158
"738766"	1110.578758	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+K"	38.963158
"1540170"	396.168358	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+K"	38.963158
"302344"	377.190417	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+H+K"	39.970434
"694036"	555.793017	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+H+K"	39.970434
"1455149"	198.587817	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H+K"	39.970434
"242665"	756.444226	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+ACN+H"	42.033826
"1216466"	399.239026	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+ACN+H"	42.033826
"1203631"	200.123151	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+ACN+2H"	43.041102
"200514"	759.38156	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+2Na-H"	44.97116
"639344"	1116.58676	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+2Na-H"	44.97116
"1136290"	402.17636	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2Na-H"	44.97116
"181767"	380.194418	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+2Na"	45.978436
"619143"	558.797018	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+2Na"	45.978436
"1119369"	201.591818	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2Na"	45.978436
"1402891"	134.730304	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H+2Na"	46.985712
"1438286"	404.217946	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H+HCOOH"	47.012746
"222636"	385.22744	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+3H2O+2H"	56.04448
"1509723"	418.26999	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+IsoProp+H"	61.06479
"412449"	388.181388	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+Na+K"	61.952376
"770281"	566.783988	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+Na+K"	61.952376
"1666492"	209.578788	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Na+K"	61.952376
"251916"	778.426168	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+ACN+Na"	64.015768
"1226041"	421.220968	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+ACN+Na"	64.015768
"1712739"	421.244493	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+NH4+HCOOH"	64.039293
"1178623"	142.057618	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+3Na"	68.967654
"1650710"	426.199888	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Na+HCOOH"	68.994688
"163286"	791.32944	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+2K-H"	76.91904
"598470"	1148.53464	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+2K-H"	76.91904
"1086265"	434.12424	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2K-H"	76.91904
"148553"	396.168358	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"2M+2K"	77.926316
"594677"	574.770958	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"3M+2K"	77.926316
"1082468"	217.565758	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2K"	77.926316
"1108022"	436.138792	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2K+H"	78.933592
"1341125"	436.226407	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+DMSO+H"	79.021207
"1015122"	440.265576	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2ACN+H"	83.060376
"1532155"	441.259208	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+IsoProp+Na+H"	84.054008
"997509"	220.636426	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+2ACN+2H"	84.067652
"1599667"	442.173828	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+K+HCOOH"	84.968628
"1416582"	472.205338	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+H+CF3COOH"	115.000138
"1149057"	241.149701	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+3ACN+2H"	125.094202
"1698611"	489.231885	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+NH4+CF3COOH"	132.026685
"1641916"	494.18728	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+Na+CF3COOH"	136.98208
"1583038"	510.16122	"C10757"	"Calpurnine;Hoe 933"	"C20H27N3O3"	"357.2052"	"M+K+CF3COOH"	152.95602
"813403"	230.1419	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M"	0
"988031"	211.12351	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-H2O-H"	-19.01839
"72991"	152.420657333333	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M-3H"	-3.021828
"509273"	229.134624	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M-3H"	-3.021828
"889261"	75.7066906666667	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-3H"	-3.021828
"12208"	229.134624	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M-2H"	-2.014552
"445209"	344.205574	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M-2H"	-2.014552
"819731"	114.063674	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-2H"	-2.014552
"88473"	459.276524	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M-H"	-1.007276
"531314"	689.418424	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M-H"	-1.007276
"908637"	229.134624	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-H"	-1.007276
"60826"	476.303071	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M-2H+NH4"	16.019271
"500143"	706.444971	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M-2H+NH4"	16.019271
"878666"	246.161171	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-2H+NH4"	16.019271
"45482"	481.258466	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M-2H+Na"	20.974666
"485766"	711.400366	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M-2H+Na"	20.974666
"861379"	251.116566	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-2H+Na"	20.974666
"1622529"	251.116566	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Na-2H"	20.974666
"96869"	247.122963	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M-H+Cl"	33.962126
"539711"	362.193913	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M-H+Cl"	33.962126
"933227"	132.052013	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-H+Cl"	33.962126
"280047"	495.253202	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+Cl"	34.969402
"665299"	725.395102	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+Cl"	34.969402
"1274787"	265.111302	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Cl"	34.969402
"25725"	497.232406	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M-2H+K"	36.948606
"460911"	727.374306	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M-2H+K"	36.948606
"834341"	267.090506	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-2H+K"	36.948606
"1556488"	267.090506	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+K-2H"	36.948606
"946074"	275.140094	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-H+HCOOH"	44.998194
"364293"	505.282001	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+HCOOH-H"	44.998201
"348903"	519.297651	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+Hac-H"	59.013851
"1497007"	289.155751	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Hac-H"	59.013851
"961633"	297.122051	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-H+NaCOOH"	66.980151
"111631"	265.111302	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+2Cl"	69.938804
"551921"	380.182252	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+2Cl"	69.938804
"1025096"	150.040352	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2Cl"	69.938804
"1243216"	309.060785	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Br"	78.918885
"1308948"	311.116772	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Cl+HCOOH"	80.974872
"1326445"	333.098729	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Cl+NaCOOH"	102.956829
"918597"	343.127486	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M-H+CF3COOH"	112.985586
"1292025"	379.104164	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Cl+CF3COOH"	148.962264
"1372373"	195.129224	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H-2H2O"	-35.012676
"1383311"	213.1392	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H-H2O"	-17.0027
"283363"	461.291076	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+H"	1.007276
"677607"	691.432976	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+H"	1.007276
"1352864"	231.149176	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H"	1.007276
"127577"	231.149176	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+2H"	2.014552
"568595"	346.220126	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+2H"	2.014552
"1037162"	116.078226	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2H"	2.014552
"204468"	154.435209333333	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+3H"	3.021828
"645221"	231.149176	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+3H"	3.021828
"1165169"	77.7212426666667	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+3H"	3.021828
"427347"	478.317623	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+NH4"	18.033823
"789434"	708.459523	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+NH4"	18.033823
"1686858"	248.175723	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+NH4"	18.033823
"331493"	239.6624495	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+H+NH4"	19.041099
"726101"	354.7333995	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+H+NH4"	19.041099
"1480286"	124.5914995	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H+NH4"	19.041099
"397874"	483.273018	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+Na"	22.989218
"756681"	713.414918	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+Na"	22.989218
"1605874"	253.131118	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Na"	22.989218
"315910"	242.140147	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+H+Na"	23.996494
"713800"	357.211097	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+H+Na"	23.996494
"1466527"	127.069197	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H+Na"	23.996494
"1059770"	85.0485566666667	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2H+Na"	25.00377
"1258535"	263.175386	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+CH3OH+H"	33.033486
"378571"	499.246958	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+K"	38.963158
"738952"	729.388858	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+K"	38.963158
"1540276"	269.105058	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+K"	38.963158
"305735"	250.127117	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+H+K"	39.970434
"693782"	365.198067	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+H+K"	39.970434
"1458175"	135.056167	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H+K"	39.970434
"249703"	502.317626	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+ACN+H"	42.033826
"1218764"	272.175726	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+ACN+H"	42.033826
"1207026"	136.591501	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+ACN+2H"	43.041102
"200623"	505.25496	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+2Na-H"	44.97116
"641281"	735.39686	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+2Na-H"	44.97116
"1141870"	275.11306	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2Na-H"	44.97116
"182972"	253.131118	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+2Na"	45.978436
"620348"	368.202068	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+2Na"	45.978436
"1124946"	138.060168	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2Na"	45.978436
"1407375"	92.3758706666667	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H+2Na"	46.985712
"1435117"	277.154646	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H+HCOOH"	47.012746
"221531"	258.16414	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+3H2O+2H"	56.04448
"1508986"	291.20669	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+IsoProp+H"	61.06479
"410373"	261.118088	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+Na+K"	61.952376
"770397"	376.189038	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+Na+K"	61.952376
"1669888"	146.047138	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Na+K"	61.952376
"254219"	524.299568	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+ACN+Na"	64.015768
"1226929"	294.157668	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+ACN+Na"	64.015768
"1714114"	294.181193	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+NH4+HCOOH"	64.039293
"1181536"	99.7031846666667	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+3Na"	68.967654
"1654349"	299.136588	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Na+HCOOH"	68.994688
"166676"	537.20284	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+2K-H"	76.91904
"601862"	767.34474	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+2K-H"	76.91904
"1087469"	307.06094	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2K-H"	76.91904
"148659"	269.105058	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"2M+2K"	77.926316
"593694"	384.176008	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"3M+2K"	77.926316
"1083308"	154.034108	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2K"	77.926316
"1107040"	309.075492	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2K+H"	78.933592
"1341238"	309.163107	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+DMSO+H"	79.021207
"1017422"	313.202276	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2ACN+H"	83.060376
"1534453"	314.195908	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+IsoProp+Na+H"	84.054008
"999808"	157.104776	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+2ACN+2H"	84.067652
"1597591"	315.110528	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+K+HCOOH"	84.968628
"1422158"	345.142038	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+H+CF3COOH"	115.000138
"1149164"	177.618051	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+3ACN+2H"	125.094202
"1700907"	362.168585	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+NH4+CF3COOH"	132.026685
"1635465"	367.12398	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+Na+CF3COOH"	136.98208
"1583148"	383.09792	"C10758"	"Camoensine"	"C14H18N2O"	"230.1419"	"M+K+CF3COOH"	152.95602
"809138"	348.2664	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M"	0
"989234"	329.24801	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-H2O-H"	-19.01839
"74195"	231.170324	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M-3H"	-3.021828
"515943"	347.259124	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M-3H"	-3.021828
"892652"	115.081524	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-3H"	-3.021828
"14386"	347.259124	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M-2H"	-2.014552
"445319"	521.392324	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M-2H"	-2.014552
"824216"	173.125924	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-2H"	-2.014552
"83117"	695.525524	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M-H"	-1.007276
"527051"	1043.791924	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M-H"	-1.007276
"907047"	347.259124	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-H"	-1.007276
"57774"	712.552071	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M-2H+NH4"	16.019271
"501221"	1060.818471	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M-2H+NH4"	16.019271
"878052"	364.285671	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-2H+NH4"	16.019271
"45589"	717.507466	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M-2H+Na"	20.974666
"486243"	1065.773866	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M-2H+Na"	20.974666
"863190"	369.241066	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-2H+Na"	20.974666
"1624825"	369.241066	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Na-2H"	20.974666
"96009"	365.247463	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M-H+Cl"	33.962126
"536540"	539.380663	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M-H+Cl"	33.962126
"933336"	191.114263	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-H+Cl"	33.962126
"274081"	731.502202	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+Cl"	34.969402
"666501"	1079.768602	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+Cl"	34.969402
"1275625"	383.235802	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Cl"	34.969402
"20368"	733.481406	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M-2H+K"	36.948606
"458469"	1081.747806	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M-2H+K"	36.948606
"839920"	385.215006	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-2H+K"	36.948606
"1561220"	385.215006	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+K-2H"	36.948606
"945455"	393.264594	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-H+HCOOH"	44.998194
"362943"	741.531001	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+HCOOH-H"	44.998201
"351201"	755.546651	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+Hac-H"	59.013851
"1496021"	407.280251	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Hac-H"	59.013851
"959919"	415.246551	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-H+NaCOOH"	66.980151
"117574"	383.235802	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+2Cl"	69.938804
"554948"	557.369002	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+2Cl"	69.938804
"1024842"	209.102602	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2Cl"	69.938804
"1247700"	427.185285	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Br"	78.918885
"1314524"	429.241272	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Cl+HCOOH"	80.974872
"1321450"	451.223229	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Cl+NaCOOH"	102.956829
"919799"	461.251986	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M-H+CF3COOH"	112.985586
"1293228"	497.228664	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Cl+CF3COOH"	148.962264
"1369201"	313.253724	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H-2H2O"	-35.012676
"1383424"	331.2637	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H-H2O"	-17.0027
"283473"	697.540076	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+H"	1.007276
"678082"	1045.806476	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+H"	1.007276
"1355164"	349.273676	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H"	1.007276
"130238"	349.273676	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+2H"	2.014552
"571987"	523.406876	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+2H"	2.014552
"1037503"	175.140476	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2H"	2.014552
"206500"	233.184876	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+3H"	3.021828
"645087"	349.273676	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+3H"	3.021828
"1169658"	117.096076	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+3H"	3.021828
"426122"	714.566623	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+NH4"	18.033823
"788457"	1062.833023	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+NH4"	18.033823
"1685878"	366.300223	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+NH4"	18.033823
"334521"	357.7869495	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+H+NH4"	19.041099
"728764"	531.9201495	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+H+NH4"	19.041099
"1480398"	183.6537495	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H+NH4"	19.041099
"395796"	719.522018	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+Na"	22.989218
"758979"	1067.788418	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+Na"	22.989218
"1608170"	371.255618	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Na"	22.989218
"318207"	360.264647	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+H+Na"	23.996494
"715003"	534.397847	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+H+Na"	23.996494
"1468824"	186.131447	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H+Na"	23.996494
"1057698"	124.42339	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2H+Na"	25.00377
"1257797"	381.299886	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+CH3OH+H"	33.033486
"378560"	735.495958	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+K"	38.963158
"743321"	1083.762358	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+K"	38.963158
"1543556"	387.229558	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+K"	38.963158
"300375"	368.251617	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+H+K"	39.970434
"694985"	542.384817	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+H+K"	39.970434
"1456462"	194.118417	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H+K"	39.970434
"249814"	738.566626	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+ACN+H"	42.033826
"1218874"	390.300226	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+ACN+H"	42.033826
"1206039"	195.653751	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+ACN+2H"	43.041102
"201830"	741.50396	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+2Na-H"	44.97116
"642120"	1089.77036	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+2Na-H"	44.97116
"1143437"	393.23756	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2Na-H"	44.97116
"184905"	371.255618	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+2Na"	45.978436
"620458"	545.388818	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+2Na"	45.978436
"1121776"	197.122418	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2Na"	45.978436
"1407485"	131.750704	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H+2Na"	46.985712
"1435227"	395.279146	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H+HCOOH"	47.012746
"222735"	376.28864	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+3H2O+2H"	56.04448
"1509215"	409.33119	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+IsoProp+H"	61.06479
"411575"	379.242588	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+Na+K"	61.952376
"770990"	553.375788	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+Na+K"	61.952376
"1666956"	205.109388	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Na+K"	61.952376
"253599"	760.548568	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+ACN+Na"	64.015768
"1227403"	412.282168	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+ACN+Na"	64.015768
"1713731"	412.305693	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+NH4+HCOOH"	64.039293
"1179450"	139.078018	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+3Na"	68.967654
"1650922"	417.261088	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Na+HCOOH"	68.994688
"159487"	773.45184	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+2K-H"	76.91904
"598807"	1121.71824	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+2K-H"	76.91904
"1086486"	425.18544	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2K-H"	76.91904
"142572"	387.229558	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"2M+2K"	77.926316
"585052"	561.362758	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"3M+2K"	77.926316
"1078314"	213.096358	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2K"	77.926316
"1106056"	427.199992	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2K+H"	78.933592
"1344628"	427.287607	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+DMSO+H"	79.021207
"1015345"	431.326776	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2ACN+H"	83.060376
"1535656"	432.320408	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+IsoProp+Na+H"	84.054008
"998825"	216.167026	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+2ACN+2H"	84.067652
"1595515"	433.235028	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+K+HCOOH"	84.968628
"1420080"	463.266538	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+H+CF3COOH"	115.000138
"1153648"	236.680301	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+3ACN+2H"	125.094202
"1701017"	480.293085	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+NH4+CF3COOH"	132.026685
"1638855"	485.24848	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+Na+CF3COOH"	136.98208
"1579978"	501.22242	"C10759"	"6-Pentadecylsalicylic acid;Anacardic acid"	"C22H36O3"	"348.2664"	"M+K+CF3COOH"	152.95602
"803782"	204.1263	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M"	0
"989344"	185.10791	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-H2O-H"	-19.01839
"74305"	135.076924	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M-3H"	-3.021828
"514960"	203.119024	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M-3H"	-3.021828
"889482"	67.034824	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-3H"	-3.021828
"11337"	203.119024	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M-2H"	-2.014552
"444336"	305.182174	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M-2H"	-2.014552
"825419"	101.055874	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-2H"	-2.014552
"83227"	407.245324	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M-H"	-1.007276
"524974"	611.371624	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M-H"	-1.007276
"904968"	203.119024	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-H"	-1.007276
"52780"	424.271871	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M-2H+NH4"	16.019271
"495618"	628.398171	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M-2H+NH4"	16.019271
"878765"	220.145571	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-2H+NH4"	16.019271
"43507"	429.227266	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M-2H+Na"	20.974666
"483069"	633.353566	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M-2H+Na"	20.974666
"856495"	225.100966	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-2H+Na"	20.974666
"1621654"	225.100966	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Na-2H"	20.974666
"96723"	221.107363	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M-H+Cl"	33.962126
"537740"	323.170513	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M-H+Cl"	33.962126
"929436"	119.044213	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-H+Cl"	33.962126
"270543"	443.222002	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+Cl"	34.969402
"662598"	647.348302	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+Cl"	34.969402
"1275005"	239.095702	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Cl"	34.969402
"19019"	445.201206	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M-2H+K"	36.948606
"455915"	649.327506	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M-2H+K"	36.948606
"837843"	241.074906	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-2H+K"	36.948606
"1556954"	241.074906	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+K-2H"	36.948606
"943257"	249.124494	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-H+HCOOH"	44.998194
"361413"	453.250801	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+HCOOH-H"	44.998201
"346001"	467.266451	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+Hac-H"	59.013851
"1492968"	263.140151	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Hac-H"	59.013851
"959177"	271.106451	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-H+NaCOOH"	66.980151
"111362"	239.095702	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+2Cl"	69.938804
"551286"	341.158852	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+2Cl"	69.938804
"1021788"	137.032552	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2Cl"	69.938804
"1242704"	283.045185	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Br"	78.918885
"1305155"	285.101172	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Cl+HCOOH"	80.974872
"1320587"	307.083129	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Cl+NaCOOH"	102.956829
"915535"	317.111886	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M-H+CF3COOH"	112.985586
"1292245"	353.088564	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Cl+CF3COOH"	148.962264
"1367853"	169.113624	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H-2H2O"	-35.012676
"1383897"	187.1236	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H-H2O"	-17.0027
"283013"	409.259876	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+H"	1.007276
"677099"	613.386176	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+H"	1.007276
"1353813"	205.133576	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H"	1.007276
"130347"	205.133576	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+2H"	2.014552
"571003"	307.196726	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+2H"	2.014552
"1037285"	103.070426	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2H"	2.014552
"204659"	137.091476	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+3H"	3.021828
"645320"	205.133576	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+3H"	3.021828
"1165026"	69.049376	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+3H"	3.021828
"425502"	426.286423	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+NH4"	18.033823
"787834"	630.412723	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+NH4"	18.033823
"1683436"	222.160123	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+NH4"	18.033823
"331108"	213.6468495	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+H+NH4"	19.041099
"725596"	315.7099995	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+H+NH4"	19.041099
"1477835"	111.5836995	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H+NH4"	19.041099
"395907"	431.241818	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+Na"	22.989218
"759089"	635.368118	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+Na"	22.989218
"1607187"	227.115518	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Na"	22.989218
"318317"	216.124547	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+H+Na"	23.996494
"715112"	318.187697	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+H+Na"	23.996494
"1467840"	114.061397	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H+Na"	23.996494
"1057808"	76.37669	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2H+Na"	25.00377
"1257781"	237.159786	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+CH3OH+H"	33.033486
"377239"	447.215758	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+K"	38.963158
"739540"	651.342058	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+K"	38.963158
"1539973"	243.089458	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+K"	38.963158
"301942"	224.111517	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+H+K"	39.970434
"692053"	326.174667	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+H+K"	39.970434
"1454386"	122.048367	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H+K"	39.970434
"242989"	450.286426	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+ACN+H"	42.033826
"1214602"	246.160126	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+ACN+H"	42.033826
"1203958"	123.583701	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+ACN+2H"	43.041102
"202666"	453.22376	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+2Na-H"	44.97116
"640404"	657.35006	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+2Na-H"	44.97116
"1142085"	249.09746	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2Na-H"	44.97116
"185015"	227.115518	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+2Na"	45.978436
"624941"	329.178668	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+2Na"	45.978436
"1122979"	125.052368	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2Na"	45.978436
"1407595"	83.704004	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H+2Na"	46.985712
"1436431"	251.139046	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H+HCOOH"	47.012746
"226125"	232.14854	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+3H2O+2H"	56.04448
"1509687"	265.19109	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+IsoProp+H"	61.06479
"411685"	235.102488	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+Na+K"	61.952376
"772680"	337.165638	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+Na+K"	61.952376
"1668037"	133.039338	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Na+K"	61.952376
"253949"	472.268368	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+ACN+Na"	64.015768
"1228239"	268.142068	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+ACN+Na"	64.015768
"1714936"	268.165593	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+NH4+HCOOH"	64.039293
"1179561"	91.031318	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+3Na"	68.967654
"1652004"	273.120988	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Na+HCOOH"	68.994688
"159960"	485.17164	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+2K-H"	76.91904
"600618"	689.29794	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+2K-H"	76.91904
"1086230"	281.04534	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2K-H"	76.91904
"142801"	243.089458	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"2M+2K"	77.926316
"585162"	345.152608	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"3M+2K"	77.926316
"1079517"	141.026308	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2K"	77.926316
"1106166"	283.059892	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2K+H"	78.933592
"1344738"	283.147507	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+DMSO+H"	79.021207
"1015455"	287.186676	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2ACN+H"	83.060376
"1534673"	288.180308	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+IsoProp+Na+H"	84.054008
"997842"	144.096976	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+2ACN+2H"	84.067652
"1594532"	289.094928	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+K+HCOOH"	84.968628
"1421283"	319.126438	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+H+CF3COOH"	115.000138
"1155945"	164.610251	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+3ACN+2H"	125.094202
"1697847"	336.152985	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+NH4+CF3COOH"	132.026685
"1636778"	341.10838	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+Na+CF3COOH"	136.98208
"1580088"	357.08232	"C10760"	"Caulophylline;N-Methylcytisine"	"C12H16N2O"	"204.1263"	"M+K+CF3COOH"	152.95602
"816856"	136.0524	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M"	0
"989335"	117.03401	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"70043"	89.694324	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"511790"	135.045124	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"885217"	44.343524	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"4157"	135.045124	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"442260"	203.071324	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"818605"	67.018924	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"89899"	271.097524	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"532377"	407.149924	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"901797"	135.045124	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"56172"	288.124071	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"497919"	424.176471	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"878636"	152.071671	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"44714"	293.079466	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"484271"	429.131866	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"856607"	157.027066	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1626140"	157.027066	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"98296"	153.033463	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"538947"	221.059663	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"933558"	85.007263	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"274302"	307.074202	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"670001"	443.126602	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1276942"	171.021802	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"17431"	309.053406	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"457965"	445.105806	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"835402"	173.001006	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1556701"	173.001006	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"943855"	181.050594	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"361460"	317.103001	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"346066"	331.118651	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1493326"	195.066251	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"958620"	203.032551	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"110504"	171.021802	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"550180"	239.048002	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1021495"	102.995602	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1241480"	214.971285	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1304660"	217.027272	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1320090"	239.009229	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"914553"	249.037986	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1290166"	285.014664	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1367478"	101.039724	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1383644"	119.0497	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"285518"	273.112076	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"676846"	409.164476	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1353562"	137.059676	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"126449"	137.059676	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"566006"	205.085876	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1037602"	69.033476	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"205996"	91.708876	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"645191"	137.059676	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1163317"	46.358076	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"424403"	290.138623	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"785770"	426.191023	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1683911"	154.086223	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"330854"	145.5729495	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"724613"	213.5991495	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1479526"	77.5467495	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"393383"	295.094018	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"759198"	431.146418	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1605110"	159.041618	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"316604"	148.050647	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"715223"	216.076847	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1471230"	80.024447	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1056822"	53.68539	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1259235"	169.085886	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"377160"	311.067958	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"739659"	447.120358	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1541953"	175.015558	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"303878"	156.037617	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"705425"	224.063817	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1460335"	88.011417	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"246382"	314.138626	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1223105"	178.086226	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1206623"	89.546751	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"198034"	317.07596	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"643070"	453.12836	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1141106"	181.02356	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"183302"	159.041618	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"623955"	227.067818	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1127462"	91.015418	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1412078"	61.012704	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1436539"	183.065146	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"229515"	164.07464	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1520857"	197.11719	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"411067"	167.028588	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"773520"	235.054788	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1668392"	99.002388	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"253818"	336.120568	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1225795"	200.068168	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1713589"	200.091693	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1180401"	68.340018	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1652118"	205.047088	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"158859"	349.02384	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"599274"	485.07624	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1085246"	212.97144	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"151183"	175.015558	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"587462"	243.041758	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1078535"	106.989358	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1113207"	214.985992	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1348130"	215.073607	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1014472"	219.112776	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1532598"	220.106408	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"1001231"	110.060026	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1599014"	221.021028	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1423581"	251.052538	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1156055"	130.573301	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1701237"	268.079085	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1636888"	273.03448	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1583478"	289.00842	"C10761"	"p-Anisaldehyde"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"814940"	430.2104	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M"	0
"975350"	411.19201	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-H2O-H"	-19.01839
"67237"	285.799657333333	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M-3H"	-3.021828
"510806"	429.203124	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M-3H"	-3.021828
"882048"	142.396190666667	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-3H"	-3.021828
"3539"	429.203124	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M-2H"	-2.014552
"443102"	644.308324	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M-2H"	-2.014552
"818715"	214.097924	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-2H"	-2.014552
"83812"	859.413524	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M-H"	-1.007276
"529570"	1289.623924	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M-H"	-1.007276
"908465"	429.203124	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-H"	-1.007276
"51906"	876.440071	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M-2H+NH4"	16.019271
"496937"	1306.650471	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M-2H+NH4"	16.019271
"875829"	446.229671	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-2H+NH4"	16.019271
"34980"	881.395466	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M-2H+Na"	20.974666
"474541"	1311.605866	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M-2H+Na"	20.974666
"853434"	451.185066	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-2H+Na"	20.974666
"1620053"	451.185066	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Na-2H"	20.974666
"101688"	447.191463	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M-H+Cl"	33.962126
"536143"	662.296663	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M-H+Cl"	33.962126
"931481"	232.086263	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-H+Cl"	33.962126
"272225"	895.390202	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+Cl"	34.969402
"665739"	1325.600602	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+Cl"	34.969402
"1277052"	465.179802	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Cl"	34.969402
"17784"	897.369406	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M-2H+K"	36.948606
"456002"	1327.579806	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M-2H+K"	36.948606
"833044"	467.159006	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-2H+K"	36.948606
"1555652"	467.159006	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+K-2H"	36.948606
"943965"	475.208594	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-H+HCOOH"	44.998194
"362179"	905.419001	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+HCOOH-H"	44.998201
"345851"	919.434651	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+Hac-H"	59.013851
"1493436"	489.224251	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Hac-H"	59.013851
"958502"	497.190551	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-H+NaCOOH"	66.980151
"110244"	465.179802	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+2Cl"	69.938804
"550417"	680.285002	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+2Cl"	69.938804
"1021441"	250.074602	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2Cl"	69.938804
"1241547"	509.129285	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Br"	78.918885
"1304195"	511.185272	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Cl+HCOOH"	80.974872
"1320806"	533.167229	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Cl+NaCOOH"	102.956829
"912840"	543.195986	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M-H+CF3COOH"	112.985586
"1289016"	579.172664	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Cl+CF3COOH"	148.962264
"1367585"	395.197724	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H-2H2O"	-35.012676
"1384849"	413.2077	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H-H2O"	-17.0027
"283237"	861.428076	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+H"	1.007276
"677324"	1291.638476	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+H"	1.007276
"1352579"	431.217676	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H"	1.007276
"126924"	431.217676	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+2H"	2.014552
"566118"	646.322876	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+2H"	2.014552
"1037837"	216.112476	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2H"	2.014552
"207199"	287.814209333333	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+3H"	3.021828
"646398"	431.217676	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+3H"	3.021828
"1162858"	144.410742666667	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+3H"	3.021828
"424634"	878.454623	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+NH4"	18.033823
"785994"	1308.665023	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+NH4"	18.033823
"1682200"	448.244223	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+NH4"	18.033823
"331209"	439.7309495	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+H+NH4"	19.041099
"726911"	654.8361495	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+H+NH4"	19.041099
"1482915"	224.6257495	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H+NH4"	19.041099
"397222"	883.410018	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+Na"	22.989218
"762589"	1313.620418	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+Na"	22.989218
"1608502"	453.199618	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Na"	22.989218
"320725"	442.208647	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+H+Na"	23.996494
"714241"	657.313847	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+H+Na"	23.996494
"1470248"	227.103447	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H+Na"	23.996494
"1055841"	151.738056666667	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2H+Na"	25.00377
"1259345"	463.243886	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+CH3OH+H"	33.033486
"379012"	899.383958	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+K"	38.963158
"741469"	1329.594358	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+K"	38.963158
"1542792"	469.173558	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+K"	38.963158
"300708"	450.195617	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+H+K"	39.970434
"706387"	665.300817	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+H+K"	39.970434
"1458987"	235.090417	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H+K"	39.970434
"247585"	902.454626	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+ACN+H"	42.033826
"1223215"	472.244226	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+ACN+H"	42.033826
"1204181"	236.625751	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+ACN+2H"	43.041102
"197051"	905.39196	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+2Na-H"	44.97116
"639895"	1335.60236	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+2Na-H"	44.97116
"1141215"	475.18156	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2Na-H"	44.97116
"183410"	453.199618	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+2Na"	45.978436
"621877"	668.304818	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+2Na"	45.978436
"1125384"	238.094418	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2Na"	45.978436
"1405992"	159.065370666667	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H+2Na"	46.985712
"1435190"	477.223146	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H+HCOOH"	47.012746
"229624"	458.23264	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+3H2O+2H"	56.04448
"1515501"	491.27519	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+IsoProp+H"	61.06479
"414093"	461.186588	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+Na+K"	61.952376
"771078"	676.291788	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+Na+K"	61.952376
"1666679"	246.081388	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Na+K"	61.952376
"254657"	924.436568	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+ACN+Na"	64.015768
"1227363"	494.226168	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+ACN+Na"	64.015768
"1713699"	494.249693	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+NH4+HCOOH"	64.039293
"1180147"	166.392684666667	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+3Na"	68.967654
"1651863"	499.205088	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Na+HCOOH"	68.994688
"158126"	937.33984	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+2K-H"	76.91904
"602307"	1367.55024	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+2K-H"	76.91904
"1091194"	507.12944	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2K-H"	76.91904
"151293"	469.173558	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"2M+2K"	77.926316
"589758"	684.278758	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"3M+2K"	77.926316
"1079738"	254.068358	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2K"	77.926316
"1108574"	509.143992	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2K+H"	78.933592
"1348240"	509.231607	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+DMSO+H"	79.021207
"1015676"	513.270776	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2ACN+H"	83.060376
"1534894"	514.264408	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+IsoProp+Na+H"	84.054008
"1001342"	257.139026	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+2ACN+2H"	84.067652
"1598030"	515.179028	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+K+HCOOH"	84.968628
"1421502"	545.210538	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+H+CF3COOH"	115.000138
"1153981"	277.652301	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+3ACN+2H"	125.094202
"1700251"	562.237085	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+NH4+CF3COOH"	132.026685
"1639188"	567.19248	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+Na+CF3COOH"	136.98208
"1583588"	583.16642	"C10762"	"Cinegalline"	"C23H30N2O6"	"430.2104"	"M+K+CF3COOH"	152.95602
"804112"	190.1106	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M"	0
"975095"	171.09221	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-H2O-H"	-19.01839
"66983"	125.733124	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M-3H"	-3.021828
"508729"	189.103324	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M-3H"	-3.021828
"881065"	62.362924	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-3H"	-3.021828
"1828"	189.103324	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M-2H"	-2.014552
"440293"	284.158624	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M-2H"	-2.014552
"817279"	94.048024	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-2H"	-2.014552
"78613"	379.213924	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M-H"	-1.007276
"529680"	569.324524	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M-H"	-1.007276
"904202"	189.103324	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-H"	-1.007276
"54202"	396.240471	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M-2H+NH4"	16.019271
"494857"	586.351071	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M-2H+NH4"	16.019271
"874846"	206.129871	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-2H+NH4"	16.019271
"35090"	401.195866	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M-2H+Na"	20.974666
"477933"	591.306466	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M-2H+Na"	20.974666
"850266"	211.085266	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-2H+Na"	20.974666
"1619800"	211.085266	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Na-2H"	20.974666
"100705"	207.091663	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M-H+Cl"	33.962126
"540264"	302.146963	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M-H+Cl"	33.962126
"934873"	112.036363	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-H+Cl"	33.962126
"274522"	415.190602	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+Cl"	34.969402
"669132"	605.301202	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+Cl"	34.969402
"1276069"	225.080002	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Cl"	34.969402
"16800"	417.169806	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M-2H+K"	36.948606
"455799"	607.280406	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M-2H+K"	36.948606
"833797"	227.059206	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-2H+K"	36.948606
"1555946"	227.059206	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+K-2H"	36.948606
"947354"	235.108794	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-H+HCOOH"	44.998194
"363748"	425.219401	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+HCOOH-H"	44.998201
"346536"	439.235051	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+Hac-H"	59.013851
"1494277"	249.124451	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Hac-H"	59.013851
"962548"	257.090751	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-H+NaCOOH"	66.980151
"111821"	225.080002	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+2Cl"	69.938804
"553203"	320.135302	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+2Cl"	69.938804
"1023462"	130.024702	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2Cl"	69.938804
"1247051"	269.029485	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Br"	78.918885
"1308406"	271.085472	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Cl+HCOOH"	80.974872
"1323714"	293.067429	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Cl+NaCOOH"	102.956829
"914773"	303.096186	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M-H+CF3COOH"	112.985586
"1289533"	339.072864	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Cl+CF3COOH"	148.962264
"1374018"	155.097924	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H-2H2O"	-35.012676
"1384108"	173.1079	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H-H2O"	-17.0027
"283421"	381.228476	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+H"	1.007276
"677309"	571.339076	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+H"	1.007276
"1352196"	191.117876	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H"	1.007276
"126176"	191.117876	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+2H"	2.014552
"566224"	286.173176	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+2H"	2.014552
"1037619"	96.062576	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2H"	2.014552
"207674"	127.747676	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+3H"	3.021828
"646508"	191.117876	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+3H"	3.021828
"1163291"	64.377476	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+3H"	3.021828
"425229"	398.255023	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+NH4"	18.033823
"786833"	588.365623	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+NH4"	18.033823
"1683403"	208.144423	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+NH4"	18.033823
"340067"	199.6311495	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+H+NH4"	19.041099
"732489"	294.6864495	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+H+NH4"	19.041099
"1481933"	104.5758495	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H+NH4"	19.041099
"398426"	403.210418	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+Na"	22.989218
"763794"	593.321018	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+Na"	22.989218
"1611893"	213.099818	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Na"	22.989218
"323023"	202.108847	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+H+Na"	23.996494
"717632"	297.164147	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+H+Na"	23.996494
"1471452"	107.053547	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H+Na"	23.996494
"1063243"	71.70479	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2H+Na"	25.00377
"1259453"	223.144086	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+CH3OH+H"	33.033486
"382767"	419.184358	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+K"	38.963158
"742307"	609.294958	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+K"	38.963158
"1544725"	229.073758	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+K"	38.963158
"301539"	210.095817	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+H+K"	39.970434
"699805"	305.151117	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+H+K"	39.970434
"1448158"	115.040517	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H+K"	39.970434
"237848"	422.255026	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+ACN+H"	42.033826
"1212381"	232.144426	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+ACN+H"	42.033826
"1201008"	116.575851	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+ACN+2H"	43.041102
"190599"	425.19236	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+2Na-H"	44.97116
"634533"	615.30296	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+2Na-H"	44.97116
"1135128"	235.08176	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2Na-H"	44.97116
"180241"	213.099818	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+2Na"	45.978436
"618707"	308.155118	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+2Na"	45.978436
"1122213"	118.044518	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2Na"	45.978436
"1403548"	79.032104	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H+2Na"	46.985712
"1430922"	237.123346	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H+HCOOH"	47.012746
"223173"	218.13284	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+3H2O+2H"	56.04448
"1515610"	251.17539	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+IsoProp+H"	61.06479
"412015"	221.086788	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+Na+K"	61.952376
"770614"	316.142088	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+Na+K"	61.952376
"1666784"	126.031488	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Na+K"	61.952376
"252330"	444.236968	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+ACN+Na"	64.015768
"1227836"	254.126368	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+ACN+Na"	64.015768
"1713074"	254.149893	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+NH4+HCOOH"	64.039293
"1179037"	86.359418	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+3Na"	68.967654
"1650512"	259.105288	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Na+HCOOH"	68.994688
"158839"	457.14024	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+2K-H"	76.91904
"599491"	647.25084	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+2K-H"	76.91904
"1087285"	267.02964	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2K-H"	76.91904
"143375"	229.073758	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"2M+2K"	77.926316
"587681"	324.129058	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"3M+2K"	77.926316
"1076566"	134.018458	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2K"	77.926316
"1107587"	269.044192	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2K+H"	78.933592
"1349443"	269.131807	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+DMSO+H"	79.021207
"1014692"	273.170976	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2ACN+H"	83.060376
"1532817"	274.164608	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+IsoProp+Na+H"	84.054008
"1002544"	137.089126	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+2ACN+2H"	84.067652
"1598139"	275.079228	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+K+HCOOH"	84.968628
"1422705"	305.110738	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+H+CF3COOH"	115.000138
"1148623"	157.602401	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+3ACN+2H"	125.094202
"1699268"	322.137285	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+NH4+CF3COOH"	132.026685
"1639298"	327.09268	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+Na+CF3COOH"	136.98208
"1583698"	343.06662	"C10763"	"Cytisine"	"C11H14N2O"	"190.1106"	"M+K+CF3COOH"	152.95602
"807502"	246.1732	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M"	0
"977757"	227.15481	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-H2O-H"	-19.01839
"67093"	163.108190666667	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M-3H"	-3.021828
"508839"	245.165924	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M-3H"	-3.021828
"881175"	81.0504573333333	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-3H"	-3.021828
"1938"	245.165924	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M-2H"	-2.014552
"440525"	368.252524	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M-2H"	-2.014552
"820390"	122.079324	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-2H"	-2.014552
"79411"	491.339124	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M-H"	-1.007276
"529790"	737.512324	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M-H"	-1.007276
"904312"	245.165924	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-H"	-1.007276
"54312"	508.365671	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M-2H+NH4"	16.019271
"491687"	754.538871	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M-2H+NH4"	16.019271
"874956"	262.192471	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-2H+NH4"	16.019271
"35200"	513.321066	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M-2H+Na"	20.974666
"475856"	759.494266	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M-2H+Na"	20.974666
"850375"	267.147866	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-2H+Na"	20.974666
"1619910"	267.147866	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Na-2H"	20.974666
"101908"	263.154263	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M-H+Cl"	33.962126
"541467"	386.240863	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M-H+Cl"	33.962126
"938263"	140.067663	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-H+Cl"	33.962126
"274632"	527.315802	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+Cl"	34.969402
"671429"	773.489002	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+Cl"	34.969402
"1276178"	281.142602	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Cl"	34.969402
"18733"	529.295006	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M-2H+K"	36.948606
"456954"	775.468206	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M-2H+K"	36.948606
"833543"	283.121806	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-2H+K"	36.948606
"1557760"	283.121806	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+K-2H"	36.948606
"946371"	291.171394	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-H+HCOOH"	44.998194
"363128"	537.344601	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+HCOOH-H"	44.998201
"347739"	551.360251	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+Hac-H"	59.013851
"1498398"	305.187051	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Hac-H"	59.013851
"962659"	313.153351	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-H+NaCOOH"	66.980151
"113752"	281.142602	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+2Cl"	69.938804
"554407"	404.229202	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+2Cl"	69.938804
"1023936"	158.056002	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2Cl"	69.938804
"1247161"	325.092085	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Br"	78.918885
"1308514"	327.148072	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Cl+HCOOH"	80.974872
"1324188"	349.130029	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Cl+NaCOOH"	102.956829
"915976"	359.158786	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M-H+CF3COOH"	112.985586
"1289765"	395.135464	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Cl+CF3COOH"	148.962264
"1373035"	211.160524	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H-2H2O"	-35.012676
"1383122"	229.1705	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H-H2O"	-17.0027
"282866"	493.353676	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+H"	1.007276
"675956"	739.526876	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+H"	1.007276
"1351336"	247.180476	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H"	1.007276
"126045"	247.180476	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+2H"	2.014552
"565850"	370.267076	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+2H"	2.014552
"1037442"	124.093876	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2H"	2.014552
"209243"	165.122742666667	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+3H"	3.021828
"646618"	247.180476	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+3H"	3.021828
"1162916"	83.0650093333333	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+3H"	3.021828
"426921"	510.380223	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+NH4"	18.033823
"785888"	756.553423	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+NH4"	18.033823
"1683148"	264.207023	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+NH4"	18.033823
"332521"	255.6937495	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+H+NH4"	19.041099
"724943"	378.7803495	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+H+NH4"	19.041099
"1480219"	132.6071495	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H+NH4"	19.041099
"394525"	515.335618	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+Na"	22.989218
"759530"	761.508818	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+Na"	22.989218
"1607629"	269.162418	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Na"	22.989218
"320947"	258.171447	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+H+Na"	23.996494
"712276"	381.258047	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+H+Na"	23.996494
"1471561"	135.084847	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H+Na"	23.996494
"1059342"	90.3923233333333	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2H+Na"	25.00377
"1257618"	279.206686	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+CH3OH+H"	33.033486
"382876"	531.309558	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+K"	38.963158
"740228"	777.482758	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+K"	38.963158
"1542647"	285.136358	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+K"	38.963158
"299826"	266.158417	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+H+K"	39.970434
"697726"	389.245017	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+H+K"	39.970434
"1449361"	143.071817	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H+K"	39.970434
"240146"	534.380226	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+ACN+H"	42.033826
"1212856"	288.207026	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+ACN+H"	42.033826
"1201118"	144.607151	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+ACN+2H"	43.041102
"190709"	537.31756	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+2Na-H"	44.97116
"631363"	783.49076	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+2Na-H"	44.97116
"1140341"	291.14436	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2Na-H"	44.97116
"176338"	269.162418	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+2Na"	45.978436
"617358"	392.249018	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+2Na"	45.978436
"1120135"	146.075818	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2Na"	45.978436
"1403657"	97.7196373333333	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H+2Na"	46.985712
"1431031"	293.185946	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H+HCOOH"	47.012746
"222187"	274.19544	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+3H2O+2H"	56.04448
"1513533"	307.23799	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+IsoProp+H"	61.06479
"413218"	277.149388	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+Na+K"	61.952376
"770930"	400.235988	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+Na+K"	61.952376
"1666774"	154.062788	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Na+K"	61.952376
"251491"	556.362168	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+ACN+Na"	64.015768
"1226282"	310.188968	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+ACN+Na"	64.015768
"1713299"	310.212493	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+NH4+HCOOH"	64.039293
"1179059"	105.046951333333	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+3Na"	68.967654
"1650459"	315.167888	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Na+HCOOH"	68.994688
"158581"	569.26544	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+2K-H"	76.91904
"598506"	815.43864	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+2K-H"	76.91904
"1086300"	323.09224	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2K-H"	76.91904
"143484"	285.136358	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"2M+2K"	77.926316
"586697"	408.222958	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"3M+2K"	77.926316
"1072666"	162.049758	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2K"	77.926316
"1106603"	325.106792	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2K+H"	78.933592
"1347366"	325.194407	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+DMSO+H"	79.021207
"1012615"	329.233576	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2ACN+H"	83.060376
"1534019"	330.227208	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+IsoProp+Na+H"	84.054008
"1001560"	165.120426	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+2ACN+2H"	84.067652
"1589502"	331.141828	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+K+HCOOH"	84.968628
"1415282"	361.173338	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+H+CF3COOH"	115.000138
"1147517"	185.633701	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+3ACN+2H"	125.094202
"1697556"	378.199885	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+NH4+CF3COOH"	132.026685
"1642688"	383.15528	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+Na+CF3COOH"	136.98208
"1580528"	399.12922	"C10764"	"56-Dehydrolupanine"	"C15H22N2O"	"246.1732"	"M+K+CF3COOH"	152.95602
"807612"	184.0736	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M"	0
"987711"	165.05521	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-H2O-H"	-19.01839
"71579"	121.708457333333	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M-3H"	-3.021828
"507859"	183.066324	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M-3H"	-3.021828
"886755"	60.3505906666667	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-3H"	-3.021828
"9706"	183.066324	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M-2H"	-2.014552
"442337"	275.103124	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M-2H"	-2.014552
"822693"	91.029524	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-2H"	-2.014552
"90340"	367.139924	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M-H"	-1.007276
"526622"	551.213524	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M-H"	-1.007276
"902237"	183.066324	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-H"	-1.007276
"54423"	384.166471	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M-2H+NH4"	16.019271
"499452"	568.240071	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M-2H+NH4"	16.019271
"875795"	200.092871	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-2H+NH4"	16.019271
"34217"	389.121866	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M-2H+Na"	20.974666
"474873"	573.195466	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M-2H+Na"	20.974666
"850485"	205.048266	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-2H+Na"	20.974666
"1621114"	205.048266	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Na-2H"	20.974666
"105299"	201.054663	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M-H+Cl"	33.962126
"541579"	293.091463	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M-H+Cl"	33.962126
"938374"	109.017863	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-H+Cl"	33.962126
"278022"	403.116602	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+Cl"	34.969402
"670445"	587.190202	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+Cl"	34.969402
"1276288"	219.043002	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Cl"	34.969402
"18964"	405.095806	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M-2H+K"	36.948606
"457310"	589.169406	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M-2H+K"	36.948606
"832909"	221.022206	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-2H+K"	36.948606
"1555842"	221.022206	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+K-2H"	36.948606
"946483"	229.071794	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-H+HCOOH"	44.998194
"361895"	413.145401	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+HCOOH-H"	44.998201
"346758"	427.161051	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+Hac-H"	59.013851
"1499601"	243.087451	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Hac-H"	59.013851
"962040"	251.053751	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-H+NaCOOH"	66.980151
"114956"	219.043002	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+2Cl"	69.938804
"557797"	311.079802	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+2Cl"	69.938804
"1024046"	127.006202	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2Cl"	69.938804
"1248364"	262.992485	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Br"	78.918885
"1308259"	265.048472	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Cl+HCOOH"	80.974872
"1325027"	287.030429	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Cl+NaCOOH"	102.956829
"915721"	297.059186	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M-H+CF3COOH"	112.985586
"1290969"	333.035864	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Cl+CF3COOH"	148.962264
"1373145"	149.060924	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H-2H2O"	-35.012676
"1384452"	167.0709	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H-H2O"	-17.0027
"282851"	369.154476	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+H"	1.007276
"676925"	553.228076	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+H"	1.007276
"1351416"	185.080876	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H"	1.007276
"125771"	185.080876	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+2H"	2.014552
"565679"	277.117676	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+2H"	2.014552
"1037191"	93.044076	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2H"	2.014552
"207167"	123.723009333333	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+3H"	3.021828
"650009"	185.080876	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+3H"	3.021828
"1165946"	62.3651426666667	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+3H"	3.021828
"427031"	386.181023	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+NH4"	18.033823
"786934"	570.254623	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+NH4"	18.033823
"1682527"	202.107423	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+NH4"	18.033823
"332267"	193.5941495	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+H+NH4"	19.041099
"727241"	285.6309495	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+H+NH4"	19.041099
"1481061"	101.5573495	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H+NH4"	19.041099
"395728"	391.136418	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+Na"	22.989218
"759639"	575.210018	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+Na"	22.989218
"1607738"	207.062818	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Na"	22.989218
"319964"	196.071847	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+H+Na"	23.996494
"712385"	288.108647	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+H+Na"	23.996494
"1470578"	104.035047	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H+Na"	23.996494
"1058359"	69.6924566666667	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2H+Na"	25.00377
"1257606"	217.107086	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+CH3OH+H"	33.033486
"382986"	407.110358	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+K"	38.963158
"740705"	591.183958	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+K"	38.963158
"1544581"	223.036758	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+K"	38.963158
"299937"	204.058817	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+H+K"	39.970434
"694557"	296.095617	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+H+K"	39.970434
"1448376"	112.022017	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H+K"	39.970434
"238069"	410.181026	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+ACN+H"	42.033826
"1211873"	226.107426	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+ACN+H"	42.033826
"1205968"	113.557351	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+ACN+2H"	43.041102
"197379"	413.11836	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+2Na-H"	44.97116
"632564"	597.19196	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+2Na-H"	44.97116
"1134976"	229.04476	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2Na-H"	44.97116
"174022"	207.062818	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+2Na"	45.978436
"614915"	299.099618	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+2Na"	45.978436
"1123163"	115.026018	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2Na"	45.978436
"1409240"	77.0197706666667	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H+2Na"	46.985712
"1439167"	231.086346	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H+HCOOH"	47.012746
"221573"	212.09584	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+3H2O+2H"	56.04448
"1514739"	245.13839	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+IsoProp+H"	61.06479
"410779"	215.049788	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+Na+K"	61.952376
"771409"	307.086588	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+Na+K"	61.952376
"1667012"	123.012988	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Na+K"	61.952376
"252072"	432.162968	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+ACN+Na"	64.015768
"1225656"	248.089368	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+ACN+Na"	64.015768
"1714761"	248.112893	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+NH4+HCOOH"	64.039293
"1181943"	84.3470846666667	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+3Na"	68.967654
"1651099"	253.068288	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Na+HCOOH"	68.994688
"160887"	445.06624	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+2K-H"	76.91904
"600445"	629.13984	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+2K-H"	76.91904
"1086054"	260.99264	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2K-H"	76.91904
"143962"	223.036758	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"2M+2K"	77.926316
"588994"	315.073558	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"3M+2K"	77.926316
"1076788"	130.999958	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2K"	77.926316
"1112185"	263.007192	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2K+H"	78.933592
"1344196"	263.094807	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+DMSO+H"	79.021207
"1017101"	267.133976	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2ACN+H"	83.060376
"1531947"	268.127608	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+IsoProp+Na+H"	84.054008
"998391"	134.070626	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+2ACN+2H"	84.067652
"1595083"	269.042228	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+K+HCOOH"	84.968628
"1417463"	299.073738	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+H+CF3COOH"	115.000138
"1151033"	154.583901	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+3ACN+2H"	125.094202
"1710426"	316.100285	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+NH4+CF3COOH"	132.026685
"1640611"	321.05568	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+Na+CF3COOH"	136.98208
"1580638"	337.02962	"C10765"	"Antiarol;345-Trimethoxyphenol"	"C9H12O4"	"184.0736"	"M+K+CF3COOH"	152.95602
"807722"	264.1362	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M"	0
"984536"	245.11781	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"70596"	175.083524	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"507969"	263.128924	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"882491"	87.038124	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"6534"	263.128924	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"439977"	395.197024	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"821710"	131.060824	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"90450"	527.265124	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"530012"	791.401324	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"905627"	263.128924	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"54533"	544.291671	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"499562"	808.427871	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"875176"	280.155471	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"34327"	549.247066	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"471521"	813.383266	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"848892"	285.110866	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1620252"	285.110866	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"105409"	281.117263	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"541689"	413.185363	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"937390"	149.049163	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"270477"	563.241802	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"670555"	827.378002	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1273274"	299.105602	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"16030"	565.221006	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"456121"	829.357206	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"833193"	301.084806	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1556194"	301.084806	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"945499"	309.134394	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"361447"	573.270601	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"347961"	587.286251	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1498982"	323.150051	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"962878"	331.116351	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"117251"	299.105602	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"554627"	431.173702	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1025615"	167.037502	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1250661"	343.055085	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1308005"	345.111072	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1325137"	367.093029	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"916561"	377.121786	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1289985"	413.098464	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1373256"	229.123524	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1385657"	247.1335	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"283030"	529.279676	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"677399"	793.415876	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1351713"	265.143476	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"126389"	265.143476	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"565862"	397.211576	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1037214"	133.075376	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"204494"	177.098076	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"644520"	265.143476	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1162853"	89.052676	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"424463"	546.306223	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"785777"	810.442423	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1682267"	282.170023	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"330305"	273.6567495	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"726622"	405.7248495	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1480441"	141.5886495	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"394380"	551.261618	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"754408"	815.397818	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1604932"	287.125418	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"315697"	276.134447	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"707755"	408.202547	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1462670"	144.066347	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1055186"	96.37999	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1257338"	297.169686	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"377292"	567.235558	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"746279"	831.371758	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1548331"	303.099358	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"298603"	284.121417	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"691434"	416.189517	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1447748"	152.053317	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"237088"	570.306226	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1213077"	306.170026	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1205712"	153.588651	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"197489"	573.24356	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"633767"	837.37976	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1136180"	309.10736	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"175834"	287.125418	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"615756"	419.193518	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1122908"	155.057318	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1407163"	103.707304	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1440371"	311.148946	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"223506"	292.15844	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1511933"	325.20099	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"411253"	295.112388	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"770061"	427.180488	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1667486"	163.044288	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"252182"	592.288168	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1225813"	328.151968	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1714142"	328.175493	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1183146"	111.034618	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1650724"	333.130888	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"159904"	605.19144	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"600556"	869.32764	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1086164"	341.05524	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"143343"	303.099358	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"589104"	435.167458	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1076897"	171.031258	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1110108"	343.069792	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1345399"	343.157407	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1016117"	347.196576	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1532057"	348.190208	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"998501"	174.101926	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1596286"	349.104828	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1417573"	379.136338	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1149320"	194.615201	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1705069"	396.162885	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1640721"	401.11828	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1580748"	417.09222	"C10766"	"Ascosalitoxin"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"807832"	408.2525	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M"	0
"984646"	389.23411	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-H2O-H"	-19.01839
"67426"	271.161057333333	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M-3H"	-3.021828
"508079"	407.245224	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M-3H"	-3.021828
"880414"	135.076890666667	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-3H"	-3.021828
"7738"	407.245224	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M-2H"	-2.014552
"440123"	611.371474	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M-2H"	-2.014552
"827288"	203.118974	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-2H"	-2.014552
"87280"	815.497724	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M-H"	-1.007276
"530851"	1223.750224	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M-H"	-1.007276
"902456"	407.245224	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-H"	-1.007276
"54645"	832.524271	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M-2H+NH4"	16.019271
"496394"	1240.776771	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M-2H+NH4"	16.019271
"873100"	424.271771	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-2H+NH4"	16.019271
"32493"	837.479666	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M-2H+Na"	20.974666
"479468"	1245.732166	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M-2H+Na"	20.974666
"856178"	429.227166	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-2H+Na"	20.974666
"1623521"	429.227166	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Na-2H"	20.974666
"100050"	425.233563	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M-H+Cl"	33.962126
"541800"	629.359813	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M-H+Cl"	33.962126
"933129"	221.107313	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-H+Cl"	33.962126
"277150"	851.474402	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+Cl"	34.969402
"668478"	1259.726902	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+Cl"	34.969402
"1273224"	443.221902	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Cl"	34.969402
"18336"	853.453606	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M-2H+K"	36.948606
"456154"	1261.706106	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M-2H+K"	36.948606
"833145"	445.201106	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-2H+K"	36.948606
"1556633"	445.201106	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+K-2H"	36.948606
"945244"	453.250694	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-H+HCOOH"	44.998194
"362729"	861.503201	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+HCOOH-H"	44.998201
"349895"	875.518851	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+Hac-H"	59.013851
"1496539"	467.266351	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Hac-H"	59.013851
"962988"	475.232651	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-H+NaCOOH"	66.980151
"114083"	443.221902	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+2Cl"	69.938804
"554738"	647.348152	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+2Cl"	69.938804
"1027915"	239.095652	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2Cl"	69.938804
"1248586"	487.171385	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Br"	78.918885
"1308844"	489.227372	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Cl+HCOOH"	80.974872
"1324154"	511.209329	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Cl+NaCOOH"	102.956829
"919587"	521.238086	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M-H+CF3COOH"	112.985586
"1295201"	557.214764	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Cl+CF3COOH"	148.962264
"1368992"	373.239824	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H-2H2O"	-35.012676
"1386131"	391.2498	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H-H2O"	-17.0027
"282976"	817.512276	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+H"	1.007276
"676781"	1225.764776	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+H"	1.007276
"1352027"	409.259776	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H"	1.007276
"126862"	409.259776	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+2H"	2.014552
"566547"	613.386026	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+2H"	2.014552
"1037450"	205.133526	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2H"	2.014552
"204951"	273.175609333333	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+3H"	3.021828
"644387"	409.259776	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+3H"	3.021828
"1163979"	137.091442666667	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+3H"	3.021828
"425549"	834.538823	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+NH4"	18.033823
"790435"	1242.791323	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+NH4"	18.033823
"1682741"	426.286323	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+NH4"	18.033823
"330782"	417.7730495	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+H+NH4"	19.041099
"724907"	621.8992995	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+H+NH4"	19.041099
"1478119"	213.6467995	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H+NH4"	19.041099
"393637"	839.494218	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+Na"	22.989218
"755849"	1247.746718	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+Na"	22.989218
"1606136"	431.241718	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Na"	22.989218
"317631"	420.250747	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+H+Na"	23.996494
"708960"	624.376997	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+H+Na"	23.996494
"1461806"	216.124497	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H+Na"	23.996494
"1053060"	144.418756666667	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2H+Na"	25.00377
"1257131"	441.285986	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+CH3OH+H"	33.033486
"377451"	855.468158	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+K"	38.963158
"748576"	1263.720658	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+K"	38.963158
"1551721"	447.215658	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+K"	38.963158
"298711"	428.237717	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+H+K"	39.970434
"691453"	632.363967	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+H+K"	39.970434
"1445952"	224.111467	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H+K"	39.970434
"239382"	858.538826	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+ACN+H"	42.033826
"1212094"	450.286326	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+ACN+H"	42.033826
"1204364"	225.646801	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+ACN+2H"	43.041102
"197599"	861.47616	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+2Na-H"	44.97116
"631690"	1269.72866	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+2Na-H"	44.97116
"1134101"	453.22366	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2Na-H"	44.97116
"174486"	431.241718	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+2Na"	45.978436
"614772"	635.367968	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+2Na"	45.978436
"1124840"	227.115468	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2Na"	45.978436
"1403625"	151.746070666667	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H+2Na"	46.985712
"1438293"	455.265246	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H+HCOOH"	47.012746
"223251"	436.27474	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+3H2O+2H"	56.04448
"1511677"	469.31729	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+IsoProp+H"	61.06479
"417925"	439.228688	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+Na+K"	61.952376
"771994"	643.354938	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+Na+K"	61.952376
"1665812"	235.102438	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Na+K"	61.952376
"251636"	880.520768	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+ACN+Na"	64.015768
"1225619"	472.268268	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+ACN+Na"	64.015768
"1712957"	472.291793	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+NH4+HCOOH"	64.039293
"1181072"	159.073384666667	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+3Na"	68.967654
"1652055"	477.247188	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Na+HCOOH"	68.994688
"158921"	893.42404	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+2K-H"	76.91904
"601759"	1301.67654	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+2K-H"	76.91904
"1085545"	485.17154	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2K-H"	76.91904
"142361"	447.215658	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"2M+2K"	77.926316
"595777"	651.341908	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"3M+2K"	77.926316
"1077008"	243.089408	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2K"	77.926316
"1112771"	487.186092	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2K+H"	78.933592
"1340041"	487.273707	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+DMSO+H"	79.021207
"1016226"	491.312876	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2ACN+H"	83.060376
"1535446"	492.306508	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+IsoProp+Na+H"	84.054008
"1002988"	246.160076	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+2ACN+2H"	84.067652
"1597492"	493.221128	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+K+HCOOH"	84.968628
"1418777"	523.252638	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+H+CF3COOH"	115.000138
"1151253"	266.673351	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+3ACN+2H"	125.094202
"1701898"	540.279185	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+NH4+CF3COOH"	132.026685
"1646295"	545.23458	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+Na+CF3COOH"	136.98208
"1580858"	561.20852	"C10767"	"Dimethamine"	"C24H32N4O2"	"408.2525"	"M+K+CF3COOH"	152.95602
"813409"	329.2831	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M"	0
"984756"	310.26471	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-H2O-H"	-19.01839
"67536"	218.514790666667	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M-3H"	-3.021828
"504909"	328.275824	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M-3H"	-3.021828
"880319"	108.753757333333	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-3H"	-3.021828
"4568"	328.275824	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M-2H"	-2.014552
"440846"	492.917374	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M-2H"	-2.014552
"827398"	163.634274	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-2H"	-2.014552
"88486"	657.558924	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M-H"	-1.007276
"529139"	986.842024	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M-H"	-1.007276
"904753"	328.275824	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-H"	-1.007276
"54755"	674.585471	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M-2H+NH4"	16.019271
"497597"	1003.868571	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M-2H+NH4"	16.019271
"873210"	345.302371	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-2H+NH4"	16.019271
"32482"	679.540866	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M-2H+Na"	20.974666
"477392"	1008.823966	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M-2H+Na"	20.974666
"857382"	350.257766	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-2H+Na"	20.974666
"1626912"	350.257766	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Na-2H"	20.974666
"103440"	346.264163	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M-H+Cl"	33.962126
"544097"	510.905713	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M-H+Cl"	33.962126
"932146"	181.622613	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-H+Cl"	33.962126
"275078"	693.535602	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+Cl"	34.969402
"670775"	1022.818702	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+Cl"	34.969402
"1273943"	364.252502	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Cl"	34.969402
"16986"	695.514806	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M-2H+K"	36.948606
"457641"	1024.797906	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M-2H+K"	36.948606
"833859"	366.231706	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-2H+K"	36.948606
"1558201"	366.231706	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+K-2H"	36.948606
"945719"	374.281294	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-H+HCOOH"	44.998194
"363202"	703.564401	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+HCOOH-H"	44.998201
"349276"	717.580051	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+Hac-H"	59.013851
"1496285"	388.296951	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Hac-H"	59.013851
"963464"	396.263251	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-H+NaCOOH"	66.980151
"114921"	364.252502	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+2Cl"	69.938804
"554118"	528.894052	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+2Cl"	69.938804
"1026200"	199.610952	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2Cl"	69.938804
"1246872"	408.201985	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Br"	78.918885
"1307860"	410.257972	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Cl+HCOOH"	80.974872
"1329733"	432.239929	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Cl+NaCOOH"	102.956829
"919697"	442.268686	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M-H+CF3COOH"	112.985586
"1296407"	478.245364	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Cl+CF3COOH"	148.962264
"1370560"	294.270424	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H-2H2O"	-35.012676
"1388793"	312.2804	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H-H2O"	-17.0027
"284099"	659.573476	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+H"	1.007276
"683087"	988.856576	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+H"	1.007276
"1352504"	330.290376	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H"	1.007276
"127220"	330.290376	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+2H"	2.014552
"571889"	494.931926	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+2H"	2.014552
"1041781"	165.648826	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2H"	2.014552
"206646"	220.529342666667	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+3H"	3.021828
"644405"	330.290376	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+3H"	3.021828
"1162951"	110.768309333333	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+3H"	3.021828
"428456"	676.600023	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+NH4"	18.033823
"792733"	1005.883123	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+NH4"	18.033823
"1682492"	347.316923	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+NH4"	18.033823
"330896"	338.8036495	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+H+NH4"	19.041099
"726112"	503.4451995	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+H+NH4"	19.041099
"1482483"	174.1620995	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H+NH4"	19.041099
"394236"	681.555418	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+Na"	22.989218
"759970"	1010.838518	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+Na"	22.989218
"1608069"	352.272318	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Na"	22.989218
"317742"	341.281347	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+H+Na"	23.996494
"709072"	505.922897	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+H+Na"	23.996494
"1463257"	176.639797	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H+Na"	23.996494
"1053952"	118.095623333333	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2H+Na"	25.00377
"1258547"	362.316586	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+CH3OH+H"	33.033486
"382223"	697.529358	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+K"	38.963158
"749779"	1026.812458	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+K"	38.963158
"1548552"	368.246258	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+K"	38.963158
"302456"	349.268317	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+H+K"	39.970434
"691957"	513.909867	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+H+K"	39.970434
"1453071"	184.626767	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H+K"	39.970434
"242769"	700.600026	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+ACN+H"	42.033826
"1217668"	371.316926	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+ACN+H"	42.033826
"1203746"	186.162101	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+ACN+2H"	43.041102
"195523"	703.53736	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+2Na-H"	44.97116
"638360"	1032.82046	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+2Na-H"	44.97116
"1140772"	374.25426	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2Na-H"	44.97116
"175690"	352.272318	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+2Na"	45.978436
"620354"	516.913868	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+2Na"	45.978436
"1124950"	187.630768	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2Na"	45.978436
"1403735"	125.422937333333	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H+2Na"	46.985712
"1435486"	376.295846	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H+HCOOH"	47.012746
"221538"	357.30534	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+3H2O+2H"	56.04448
"1510694"	390.34789	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+IsoProp+H"	61.06479
"412932"	360.259288	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+Na+K"	61.952376
"771740"	524.900838	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+Na+K"	61.952376
"1666977"	195.617738	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Na+K"	61.952376
"251589"	722.581968	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+ACN+Na"	64.015768
"1225999"	393.298868	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+ACN+Na"	64.015768
"1712788"	393.322393	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+NH4+HCOOH"	64.039293
"1181182"	132.750251333333	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+3Na"	68.967654
"1651799"	398.277788	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Na+HCOOH"	68.994688
"159031"	735.48524	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+2K-H"	76.91904
"599680"	1064.76834	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+2K-H"	76.91904
"1085291"	406.20214	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2K-H"	76.91904
"142107"	368.246258	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"2M+2K"	77.926316
"592605"	532.887808	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"3M+2K"	77.926316
"1073838"	203.604708	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2K"	77.926316
"1109965"	408.216692	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2K+H"	78.933592
"1339058"	408.304307	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+DMSO+H"	79.021207
"1015243"	412.343476	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2ACN+H"	83.060376
"1531182"	413.337108	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+IsoProp+Na+H"	84.054008
"997632"	206.675376	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+2ACN+2H"	84.067652
"1597600"	414.251728	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+K+HCOOH"	84.968628
"1416700"	444.283238	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+H+CF3COOH"	115.000138
"1151362"	227.188651	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+3ACN+2H"	125.094202
"1699820"	461.309785	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+NH4+CF3COOH"	132.026685
"1637658"	466.26518	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+Na+CF3COOH"	136.98208
"1580968"	482.23912	"C10768"	"(-)-Jamine;Homoormosanine"	"C21H35N3"	"329.2831"	"M+K+CF3COOH"	152.95602
"811332"	264.1838	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M"	0
"983773"	245.16541	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-H2O-H"	-19.01839
"68739"	175.115257333333	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M-3H"	-3.021828
"505018"	263.176524	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M-3H"	-3.021828
"882820"	87.0539906666667	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-3H"	-3.021828
"4678"	263.176524	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M-2H"	-2.014552
"440956"	395.268424	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M-2H"	-2.014552
"825322"	131.084624	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-2H"	-2.014552
"90782"	527.360324	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M-H"	-1.007276
"531072"	791.544124	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M-H"	-1.007276
"904863"	263.176524	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-H"	-1.007276
"53772"	544.386871	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M-2H+NH4"	16.019271
"497707"	808.570671	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M-2H+NH4"	16.019271
"875508"	280.203071	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-2H+NH4"	16.019271
"37939"	549.342266	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M-2H+Na"	20.974666
"479688"	813.526066	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M-2H+Na"	20.974666
"857491"	285.158466	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-2H+Na"	20.974666
"1627021"	285.158466	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Na-2H"	20.974666
"101364"	281.164863	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M-H+Cl"	33.962126
"542021"	413.256763	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M-H+Cl"	33.962126
"937722"	149.072963	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-H+Cl"	33.962126
"277371"	563.337002	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+Cl"	34.969402
"668699"	827.520802	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+Cl"	34.969402
"1275271"	299.153202	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Cl"	34.969402
"17097"	565.316206	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M-2H+K"	36.948606
"458116"	829.500006	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M-2H+K"	36.948606
"834333"	301.132406	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-2H+K"	36.948606
"1557583"	301.132406	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+K-2H"	36.948606
"943885"	309.181994	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-H+HCOOH"	44.998194
"363311"	573.365801	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+HCOOH-H"	44.998201
"349022"	587.381451	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+Hac-H"	59.013851
"1495305"	323.197651	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Hac-H"	59.013851
"964304"	331.163951	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-H+NaCOOH"	66.980151
"113212"	299.153202	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+2Cl"	69.938804
"553863"	431.245102	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+2Cl"	69.938804
"1025217"	167.061302	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2Cl"	69.938804
"1250992"	343.102685	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Br"	78.918885
"1309793"	345.158672	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Cl+HCOOH"	80.974872
"1328750"	367.140629	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Cl+NaCOOH"	102.956829
"918714"	377.169386	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M-H+CF3COOH"	112.985586
"1295424"	413.146064	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Cl+CF3COOH"	148.962264
"1369577"	229.171124	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H-2H2O"	-35.012676
"1383066"	247.1811	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H-H2O"	-17.0027
"283599"	529.374876	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+H"	1.007276
"676634"	793.558676	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+H"	1.007276
"1353347"	265.191076	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H"	1.007276
"126601"	265.191076	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+2H"	2.014552
"568715"	397.282976	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+2H"	2.014552
"1040797"	133.099176	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2H"	2.014552
"204933"	177.129809333333	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+3H"	3.021828
"644370"	265.191076	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+3H"	3.021828
"1163225"	89.0685426666667	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+3H"	3.021828
"427473"	546.401423	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+NH4"	18.033823
"791750"	810.585223	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+NH4"	18.033823
"1682241"	282.217623	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+NH4"	18.033823
"330640"	273.7043495	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+H+NH4"	19.041099
"726222"	405.7962495	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+H+NH4"	19.041099
"1482593"	141.6124495	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H+NH4"	19.041099
"397993"	551.356818	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+Na"	22.989218
"762267"	815.540618	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+Na"	22.989218
"1608180"	287.173018	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Na"	22.989218
"319311"	276.182047	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+H+Na"	23.996494
"709546"	408.273947	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+H+Na"	23.996494
"1464460"	144.090147	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H+Na"	23.996494
"1057708"	96.3958566666667	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2H+Na"	25.00377
"1261574"	297.217286	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+CH3OH+H"	33.033486
"382333"	567.330758	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+K"	38.963158
"748795"	831.514558	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+K"	38.963158
"1546474"	303.146958	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+K"	38.963158
"299649"	284.169017	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+H+K"	39.970434
"692794"	416.260917	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+H+K"	39.970434
"1452088"	152.077117	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H+K"	39.970434
"240693"	570.401426	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+ACN+H"	42.033826
"1213404"	306.217626	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+ACN+H"	42.033826
"1201668"	153.612451	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+ACN+2H"	43.041102
"197819"	573.33876	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+2Na-H"	44.97116
"637376"	837.52256	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+2Na-H"	44.97116
"1140883"	309.15496	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2Na-H"	44.97116
"176889"	287.173018	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+2Na"	45.978436
"618274"	419.264918	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+2Na"	45.978436
"1121415"	155.081118	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2Na"	45.978436
"1400929"	103.723170666667	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H+2Na"	46.985712
"1433045"	311.196546	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H+HCOOH"	47.012746
"220918"	292.20604	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+3H2O+2H"	56.04448
"1508708"	325.24859	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+H"	61.06479
"408783"	295.159988	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+Na+K"	61.952376
"770026"	427.251888	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+Na+K"	61.952376
"1665670"	163.068088	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Na+K"	61.952376
"251656"	592.383368	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+ACN+Na"	64.015768
"1226673"	328.199568	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+ACN+Na"	64.015768
"1712753"	328.223093	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+NH4+HCOOH"	64.039293
"1181656"	111.050484666667	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+3Na"	68.967654
"1651181"	333.178488	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Na+HCOOH"	68.994688
"157317"	605.28664	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+2K-H"	76.91904
"597967"	869.47044	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+2K-H"	76.91904
"1085401"	341.10284	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2K-H"	76.91904
"141972"	303.146958	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"2M+2K"	77.926316
"590529"	435.238858	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"3M+2K"	77.926316
"1069814"	171.055058	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2K"	77.926316
"1104971"	343.117392	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2K+H"	78.933592
"1344636"	343.205007	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+DMSO+H"	79.021207
"1014260"	347.244176	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2ACN+H"	83.060376
"1530198"	348.237808	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+Na+H"	84.054008
"998834"	174.125726	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+2ACN+2H"	84.067652
"1593336"	349.152428	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+K+HCOOH"	84.968628
"1414745"	379.183938	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+H+CF3COOH"	115.000138
"1148556"	194.639001	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+3ACN+2H"	125.094202
"1702117"	396.210485	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+NH4+CF3COOH"	132.026685
"1636675"	401.16588	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+Na+CF3COOH"	136.98208
"1581078"	417.13982	"C10769"	"Lamprolobine"	"C15H24N2O2"	"264.1838"	"M+K+CF3COOH"	152.95602
"811442"	318.2559	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M"	0
"983883"	299.23751	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"67756"	211.163324	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"508410"	317.248624	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"887306"	105.078024	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"6977"	317.248624	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"440576"	476.376574	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"827622"	158.120674	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"89799"	635.504524	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"527173"	953.760424	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"904974"	317.248624	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"56072"	652.531071	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"492352"	970.786971	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"873796"	334.275171	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"33797"	657.486466	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"479799"	975.742366	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"856508"	339.230566	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1627132"	339.230566	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"101475"	335.236963	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"542130"	494.364913	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"937832"	176.109013	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"276388"	671.481202	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"666622"	989.737102	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1275381"	353.225302	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"16716"	673.460406	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"457002"	991.716306	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"834324"	355.204506	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1556840"	355.204506	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"945206"	363.254094	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"363422"	681.510001	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"349496"	695.525651	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1495778"	377.269751	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"961862"	385.236051	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"113322"	353.225302	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"556525"	512.353252	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1026419"	194.097352	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1251102"	397.174785	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1308444"	399.230772	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1325943"	421.212729	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"915906"	431.241486	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1294440"	467.218164	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1370049"	283.243224	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1385001"	301.2532	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"283829"	637.519076	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"676862"	955.774976	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1352726"	319.263176	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"126586"	319.263176	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"567731"	478.391126	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1039812"	160.135226	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"205531"	213.177876	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"644558"	319.263176	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1163702"	107.092576	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"425518"	654.545623	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"791860"	972.801523	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1683809"	336.289723	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"331724"	327.7764495	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"727424"	486.9043995	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1483797"	168.6484995	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"398104"	659.501018	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"761284"	977.756918	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1607196"	341.245118	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"318327"	330.254147	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"711112"	489.382097	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1463477"	171.126197	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1057818"	114.41989	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1262777"	351.289386	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"382443"	675.474958	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"748906"	993.730858	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1548771"	357.219058	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"299028"	338.241117	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"691457"	497.369067	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1450011"	179.113167	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"236787"	678.545626	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1213514"	360.289726	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1203965"	180.648501	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"196837"	681.48296	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"635301"	999.73886	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1142086"	363.22706	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"179915"	341.245118	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"619482"	500.373068	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1118608"	182.117168	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1401767"	121.747204	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1431209"	365.268646	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"221148"	346.27814	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1509940"	379.32069	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"409380"	349.232088	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"770864"	508.360038	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1666465"	190.104138	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"252981"	700.527568	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1227511"	382.271668	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1716049"	382.295193	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1179336"	129.074518	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1654577"	387.250588	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"158395"	713.43084	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"597840"	1031.68674	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1084660"	395.17494	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"143422"	357.219058	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"591732"	516.347008	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1077341"	198.091108	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1106175"	397.189492	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1340372"	397.277107	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1011092"	401.316276	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1530311"	402.309908	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"998943"	201.161776	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1595633"	403.224528	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1416920"	433.256038	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1147449"	221.675051	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1701134"	450.282585	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1634965"	455.23798	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1581188"	471.21192	"C10770"	"Bilobol;5-(8Z)-Pentadec-8-en-1-ylbenzene-13-diol"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"811552"	250.2045	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M"	0
"978524"	231.18611	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-H2O-H"	-19.01839
"67866"	165.795724	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M-3H"	-3.021828
"508520"	249.197224	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M-3H"	-3.021828
"888509"	82.394224	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-3H"	-3.021828
"8180"	249.197224	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M-2H"	-2.014552
"440566"	374.299474	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M-2H"	-2.014552
"830283"	124.094974	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-2H"	-2.014552
"91002"	499.401724	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M-H"	-1.007276
"527283"	749.606224	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M-H"	-1.007276
"903992"	249.197224	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-H"	-1.007276
"55088"	516.428271	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M-2H+NH4"	16.019271
"494648"	766.632771	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M-2H+NH4"	16.019271
"871354"	266.223771	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-2H+NH4"	16.019271
"37067"	521.383666	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M-2H+Na"	20.974666
"476630"	771.588166	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M-2H+Na"	20.974666
"855526"	271.179166	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-2H+Na"	20.974666
"1623963"	271.179166	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Na-2H"	20.974666
"99397"	267.185563	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M-H+Cl"	33.962126
"542240"	392.287813	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M-H+Cl"	33.962126
"937943"	142.083313	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-H+Cl"	33.962126
"272489"	535.378402	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+Cl"	34.969402
"666368"	785.582902	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+Cl"	34.969402
"1273543"	285.173902	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Cl"	34.969402
"15976"	537.357606	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M-2H+K"	36.948606
"457607"	787.562106	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M-2H+K"	36.948606
"834070"	287.153106	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-2H+K"	36.948606
"1556827"	287.153106	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+K-2H"	36.948606
"944099"	295.202694	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-H+HCOOH"	44.998194
"362438"	545.407201	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+HCOOH-H"	44.998201
"347052"	559.422851	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+Hac-H"	59.013851
"1496250"	309.218351	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Hac-H"	59.013851
"961972"	317.184651	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-H+NaCOOH"	66.980151
"114525"	285.173902	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+2Cl"	69.938804
"557368"	410.276152	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+2Cl"	69.938804
"1027988"	160.071652	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2Cl"	69.938804
"1253399"	329.123385	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Br"	78.918885
"1310378"	331.179372	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Cl+HCOOH"	80.974872
"1323866"	353.161329	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Cl+NaCOOH"	102.956829
"913829"	363.190086	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M-H+CF3COOH"	112.985586
"1291996"	399.166764	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Cl+CF3COOH"	148.962264
"1368701"	215.191824	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H-2H2O"	-35.012676
"1384015"	233.2018	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H-H2O"	-17.0027
"283695"	501.416276	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+H"	1.007276
"677215"	751.620776	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+H"	1.007276
"1354294"	251.211776	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H"	1.007276
"127549"	251.211776	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+2H"	2.014552
"568936"	376.314026	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+2H"	2.014552
"1041015"	126.109526	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2H"	2.014552
"206126"	167.810276	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+3H"	3.021828
"644347"	251.211776	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+3H"	3.021828
"1164420"	84.408776	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+3H"	3.021828
"426600"	518.442823	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+NH4"	18.033823
"791970"	768.647323	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+NH4"	18.033823
"1681441"	268.238323	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+NH4"	18.033823
"331471"	259.7250495	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+H+NH4"	19.041099
"725348"	384.8272995	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+H+NH4"	19.041099
"1478804"	134.6227995	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H+NH4"	19.041099
"398214"	523.398218	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+Na"	22.989218
"765768"	773.602718	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+Na"	22.989218
"1608399"	273.193718	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Na"	22.989218
"319531"	262.202747	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+H+Na"	23.996494
"709158"	387.304997	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+H+Na"	23.996494
"1463586"	137.100497	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H+Na"	23.996494
"1062302"	91.73609	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2H+Na"	25.00377
"1262887"	283.237986	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+CH3OH+H"	33.033486
"381460"	539.372158	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+K"	38.963158
"750109"	789.576658	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+K"	38.963158
"1548881"	289.167658	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+K"	38.963158
"299499"	270.189717	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+H+K"	39.970434
"692649"	395.291967	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+H+K"	39.970434
"1446841"	145.087467	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H+K"	39.970434
"236001"	542.442826	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+ACN+H"	42.033826
"1212518"	292.238326	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+ACN+H"	42.033826
"1197509"	146.622801	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+ACN+2H"	43.041102
"190380"	545.38016	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+2Na-H"	44.97116
"634317"	795.58466	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+2Na-H"	44.97116
"1141102"	295.17566	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2Na-H"	44.97116
"181119"	273.193718	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+2Na"	45.978436
"616312"	398.295968	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+2Na"	45.978436
"1118719"	148.091468	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2Na"	45.978436
"1402243"	99.063404	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H+2Na"	46.985712
"1433265"	297.217246	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H+HCOOH"	47.012746
"221623"	278.22674	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+3H2O+2H"	56.04448
"1509563"	311.26929	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+IsoProp+H"	61.06479
"409491"	281.180688	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+Na+K"	61.952376
"772070"	406.282938	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+Na+K"	61.952376
"1666697"	156.078438	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Na+K"	61.952376
"252121"	564.424768	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+ACN+Na"	64.015768
"1226895"	314.220268	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+ACN+Na"	64.015768
"1718345"	314.243793	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+NH4+HCOOH"	64.039293
"1181511"	106.390718	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+3Na"	68.967654
"1651889"	319.199188	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Na+HCOOH"	68.994688
"158626"	577.32804	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+2K-H"	76.91904
"598799"	827.53254	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+2K-H"	76.91904
"1085254"	327.12354	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2K-H"	76.91904
"142313"	289.167658	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"2M+2K"	77.926316
"592935"	414.269908	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"3M+2K"	77.926316
"1069547"	164.065408	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2K"	77.926316
"1106285"	329.138092	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2K+H"	78.933592
"1341575"	329.225707	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+DMSO+H"	79.021207
"1011201"	333.264876	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2ACN+H"	83.060376
"1530421"	334.258508	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+IsoProp+Na+H"	84.054008
"999052"	167.136076	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+2ACN+2H"	84.067652
"1594649"	335.173128	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+K+HCOOH"	84.968628
"1418123"	365.204638	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+H+CF3COOH"	115.000138
"1148412"	187.649351	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+3ACN+2H"	125.094202
"1701244"	382.231185	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+NH4+CF3COOH"	132.026685
"1636898"	387.18658	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+Na+CF3COOH"	136.98208
"1581298"	403.16052	"C10771"	"Leontiformine"	"C15H26N2O"	"250.2045"	"M+K+CF3COOH"	152.95602
"811662"	248.1889	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M"	0
"979727"	229.17051	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-H2O-H"	-19.01839
"74538"	164.451990666667	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M-3H"	-3.021828
"507537"	247.181624	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M-3H"	-3.021828
"886433"	81.7223573333333	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-3H"	-3.021828
"10477"	247.181624	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M-2H"	-2.014552
"452225"	371.276074	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M-2H"	-2.014552
"827844"	123.087174	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-2H"	-2.014552
"90022"	495.370524	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M-H"	-1.007276
"526301"	743.559424	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M-H"	-1.007276
"904104"	247.181624	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-H"	-1.007276
"55197"	512.397071	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M-2H+NH4"	16.019271
"495852"	760.585971	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M-2H+NH4"	16.019271
"871465"	264.208171	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-2H+NH4"	16.019271
"40461"	517.352466	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M-2H+Na"	20.974666
"478929"	765.541366	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M-2H+Na"	20.974666
"857824"	269.163566	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-2H+Na"	20.974666
"1626259"	269.163566	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Na-2H"	20.974666
"100601"	265.169963	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M-H+Cl"	33.962126
"541257"	389.264413	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M-H+Cl"	33.962126
"936960"	141.075513	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-H+Cl"	33.962126
"274422"	531.347202	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+Cl"	34.969402
"662467"	779.536102	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+Cl"	34.969402
"1274872"	283.158302	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Cl"	34.969402
"21073"	533.326406	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M-2H+K"	36.948606
"458447"	781.515306	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M-2H+K"	36.948606
"832992"	285.137506	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-2H+K"	36.948606
"1555964"	285.137506	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+K-2H"	36.948606
"943725"	293.187094	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-H+HCOOH"	44.998194
"361857"	541.376001	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+HCOOH-H"	44.998201
"348622"	555.391651	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+Hac-H"	59.013851
"1495631"	307.202751	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Hac-H"	59.013851
"960256"	315.169051	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-H+NaCOOH"	66.980151
"114635"	283.158302	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+2Cl"	69.938804
"554560"	407.252752	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+2Cl"	69.938804
"1027368"	159.063852	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2Cl"	69.938804
"1248040"	327.107785	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Br"	78.918885
"1313769"	329.163772	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Cl+HCOOH"	80.974872
"1324703"	351.145729	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Cl+NaCOOH"	102.956829
"915398"	361.174486	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M-H+CF3COOH"	112.985586
"1291379"	397.151164	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Cl+CF3COOH"	148.962264
"1372824"	213.176224	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H-2H2O"	-35.012676
"1383764"	231.1862	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H-H2O"	-17.0027
"283441"	497.385076	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+H"	1.007276
"677326"	745.573976	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+H"	1.007276
"1353678"	249.196176	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H"	1.007276
"127298"	249.196176	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+2H"	2.014552
"569046"	373.290626	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+2H"	2.014552
"1040396"	125.101726	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2H"	2.014552
"210125"	166.466542666667	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+3H"	3.021828
"647498"	249.196176	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+3H"	3.021828
"1166717"	83.7369093333333	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+3H"	3.021828
"425616"	514.411623	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+NH4"	18.033823
"794267"	762.600523	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+NH4"	18.033823
"1688404"	266.222723	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+NH4"	18.033823
"336683"	257.7094495	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+H+NH4"	19.041099
"729104"	381.8038995	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+H+NH4"	19.041099
"1481831"	133.6149995	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H+NH4"	19.041099
"398324"	519.367018	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+Na"	22.989218
"768676"	767.555918	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+Na"	22.989218
"1610696"	271.178118	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Na"	22.989218
"322921"	260.187147	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+H+Na"	23.996494
"709148"	384.281597	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+H+Na"	23.996494
"1464792"	136.092697	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H+Na"	23.996494
"1061320"	91.0642233333333	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2H+Na"	25.00377
"1262997"	281.222386	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+CH3OH+H"	33.033486
"381570"	535.340958	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+K"	38.963158
"750948"	783.529858	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+K"	38.963158
"1554094"	287.152058	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+K"	38.963158
"300703"	268.174117	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+H+K"	39.970434
"693122"	392.268567	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+H+K"	39.970434
"1445971"	144.079667	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H+K"	39.970434
"236112"	538.411626	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+ACN+H"	42.033826
"1211898"	290.222726	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+ACN+H"	42.033826
"1200899"	145.615001	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+ACN+2H"	43.041102
"190488"	541.34896	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+2Na-H"	44.97116
"634427"	789.53786	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+2Na-H"	44.97116
"1140119"	293.16006	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2Na-H"	44.97116
"179035"	271.178118	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+2Na"	45.978436
"616412"	395.272568	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+2Na"	45.978436
"1118464"	147.083668	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2Na"	45.978436
"1401261"	98.3915373333333	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H+2Na"	46.985712
"1431916"	295.201646	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H+HCOOH"	47.012746
"220638"	276.21114	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+3H2O+2H"	56.04448
"1509795"	309.25369	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+IsoProp+H"	61.06479
"412278"	279.165088	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+Na+K"	61.952376
"772541"	403.259538	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+Na+K"	61.952376
"1667777"	155.070638	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Na+K"	61.952376
"252228"	560.393568	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+ACN+Na"	64.015768
"1226520"	312.204668	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+ACN+Na"	64.015768
"1719548"	312.228193	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+NH4+HCOOH"	64.039293
"1183082"	105.718851333333	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+3Na"	68.967654
"1654799"	317.183588	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Na+HCOOH"	68.994688
"158499"	573.29684	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+2K-H"	76.91904
"600855"	821.48574	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+2K-H"	76.91904
"1087918"	325.10794	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2K-H"	76.91904
"142549"	287.152058	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"2M+2K"	77.926316
"593045"	411.246508	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"3M+2K"	77.926316
"1076466"	163.057608	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2K"	77.926316
"1105301"	327.122492	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2K+H"	78.933592
"1344966"	327.210107	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+DMSO+H"	79.021207
"1012406"	331.249276	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2ACN+H"	83.060376
"1529435"	332.242908	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+IsoProp+Na+H"	84.054008
"995883"	166.128276	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+2ACN+2H"	84.067652
"1599134"	333.157528	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+K+HCOOH"	84.968628
"1420422"	363.189038	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+H+CF3COOH"	115.000138
"1150709"	186.641551	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+3ACN+2H"	125.094202
"1700261"	380.215585	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+NH4+CF3COOH"	132.026685
"1637008"	385.17098	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+Na+CF3COOH"	136.98208
"1581408"	401.14492	"C10772"	"Lupanine;()-Lupanine"	"C15H24N2O"	"248.1889"	"M+K+CF3COOH"	152.95602
"811772"	169.1467	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M"	0
"982024"	150.12831	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-H2O-H"	-19.01839
"76830"	111.757190666667	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M-3H"	-3.021828
"516758"	168.139424	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M-3H"	-3.021828
"889822"	55.3749573333333	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-3H"	-3.021828
"10586"	168.139424	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M-2H"	-2.014552
"450149"	252.712774	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M-2H"	-2.014552
"827954"	83.566074	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-2H"	-2.014552
"89040"	337.286124	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M-H"	-1.007276
"530788"	506.432824	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M-H"	-1.007276
"907496"	168.139424	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-H"	-1.007276
"54216"	354.312671	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M-2H+NH4"	16.019271
"494869"	523.459371	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M-2H+NH4"	16.019271
"872669"	185.165971	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-2H+NH4"	16.019271
"43854"	359.268066	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M-2H+Na"	20.974666
"482321"	528.414766	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M-2H+Na"	20.974666
"861215"	190.121366	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-2H+Na"	20.974666
"1631114"	190.121366	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Na-2H"	20.974666
"106184"	186.127763	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M-H+Cl"	33.962126
"544650"	270.701113	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M-H+Cl"	33.962126
"939261"	101.554413	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-H+Cl"	33.962126
"274534"	373.262802	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+Cl"	34.969402
"668049"	542.409502	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+Cl"	34.969402
"1277534"	204.116102	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Cl"	34.969402
"21183"	375.242006	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M-2H+K"	36.948606
"459650"	544.388706	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M-2H+K"	36.948606
"837088"	206.095306	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-2H+K"	36.948606
"1556242"	206.095306	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+K-2H"	36.948606
"945179"	214.144894	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-H+HCOOH"	44.998194
"363394"	383.291601	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+HCOOH-H"	44.998201
"351653"	397.307251	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+Hac-H"	59.013851
"1495017"	228.160551	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Hac-H"	59.013851
"964018"	236.126851	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-H+NaCOOH"	66.980151
"115840"	204.116102	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+2Cl"	69.938804
"555767"	288.689452	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+2Cl"	69.938804
"1028208"	119.542752	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2Cl"	69.938804
"1249246"	248.065585	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Br"	78.918885
"1312786"	250.121572	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Cl+HCOOH"	80.974872
"1324449"	272.103529	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Cl+NaCOOH"	102.956829
"915872"	282.132286	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M-H+CF3COOH"	112.985586
"1291489"	318.108964	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Cl+CF3COOH"	148.962264
"1371110"	134.134024	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H-2H2O"	-35.012676
"1391530"	152.144	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H-H2O"	-17.0027
"283924"	339.300676	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+H"	1.007276
"677803"	508.447376	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+H"	1.007276
"1356704"	170.153976	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H"	1.007276
"128137"	170.153976	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+2H"	2.014552
"569520"	254.727326	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+2H"	2.014552
"1043422"	85.580626	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2H"	2.014552
"205860"	113.771742666667	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+3H"	3.021828
"647608"	170.153976	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+3H"	3.021828
"1165734"	57.3895093333333	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+3H"	3.021828
"425726"	356.327223	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+NH4"	18.033823
"791097"	525.473923	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+NH4"	18.033823
"1689608"	187.180523	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+NH4"	18.033823
"334606"	178.6672495	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+H+NH4"	19.041099
"725933"	263.2405995	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+H+NH4"	19.041099
"1479754"	94.0938995	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H+NH4"	19.041099
"393451"	361.282618	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+Na"	22.989218
"764895"	530.429318	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+Na"	22.989218
"1611902"	192.135918	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Na"	22.989218
"315620"	181.144947	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+H+Na"	23.996494
"710353"	265.718297	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+H+Na"	23.996494
"1470370"	96.571597	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H+Na"	23.996494
"1058148"	64.7168233333333	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2H+Na"	25.00377
"1263108"	202.180186	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+CH3OH+H"	33.033486
"384961"	377.256558	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+K"	38.963158
"748142"	546.403258	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+K"	38.963158
"1550195"	208.109858	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+K"	38.963158
"302636"	189.131917	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+H+K"	39.970434
"698703"	273.705267	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+H+K"	39.970434
"1452521"	104.558567	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H+K"	39.970434
"237839"	380.327226	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+ACN+H"	42.033826
"1214922"	211.180526	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+ACN+H"	42.033826
"1196635"	106.093901	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+ACN+2H"	43.041102
"190598"	383.26456	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+2Na-H"	44.97116
"631256"	552.41126	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+2Na-H"	44.97116
"1138043"	214.11786	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2Na-H"	44.97116
"177323"	192.135918	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+2Na"	45.978436
"613970"	276.709268	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+2Na"	45.978436
"1120037"	107.562568	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2Na"	45.978436
"1399546"	72.0441373333333	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H+2Na"	46.985712
"1431665"	216.159446	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H+HCOOH"	47.012746
"220627"	197.16894	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+3H2O+2H"	56.04448
"1509785"	230.21149	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+IsoProp+H"	61.06479
"412025"	200.122888	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+Na+K"	61.952376
"773020"	284.696238	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+Na+K"	61.952376
"1667161"	115.549538	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Na+K"	61.952376
"251412"	402.309168	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+ACN+Na"	64.015768
"1225819"	233.162468	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+ACN+Na"	64.015768
"1719659"	233.185993	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+NH4+HCOOH"	64.039293
"1188296"	79.3714513333333	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+3Na"	68.967654
"1660376"	238.141388	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Na+HCOOH"	68.994688
"165053"	415.21244	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+2K-H"	76.91904
"606799"	584.35914	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+2K-H"	76.91904
"1088030"	246.06574	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2K-H"	76.91904
"143023"	208.109858	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"2M+2K"	77.926316
"589876"	292.683208	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"3M+2K"	77.926316
"1071109"	123.536508	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2K"	77.926316
"1107599"	248.080292	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2K+H"	78.933592
"1341795"	248.167907	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+DMSO+H"	79.021207
"1012513"	252.207076	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2ACN+H"	83.060376
"1532823"	253.200708	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+IsoProp+Na+H"	84.054008
"998178"	126.607176	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+2ACN+2H"	84.067652
"1595964"	254.115328	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+K+HCOOH"	84.968628
"1419437"	284.146838	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+H+CF3COOH"	115.000138
"1153007"	147.120451	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+3ACN+2H"	125.094202
"1699642"	301.173385	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+NH4+CF3COOH"	132.026685
"1637118"	306.12878	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+Na+CF3COOH"	136.98208
"1581518"	322.10272	"C10773"	"Lupinine"	"C10H19NO"	"169.1467"	"M+K+CF3COOH"	152.95602
"811883"	248.1889	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M"	0
"987603"	229.17051	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-H2O-H"	-19.01839
"76825"	164.451990666667	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M-3H"	-3.021828
"513225"	247.181624	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M-3H"	-3.021828
"888838"	81.7223573333333	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-3H"	-3.021828
"10696"	247.181624	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M-2H"	-2.014552
"451355"	371.276074	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M-2H"	-2.014552
"831592"	123.087174	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-2H"	-2.014552
"93528"	495.370524	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M-H"	-1.007276
"531629"	743.559424	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M-H"	-1.007276
"909188"	247.181624	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-H"	-1.007276
"60406"	512.397071	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M-2H+NH4"	16.019271
"501546"	760.585971	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M-2H+NH4"	16.019271
"878255"	264.208171	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-2H+NH4"	16.019271
"44452"	517.352466	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M-2H+Na"	20.974666
"485714"	765.541366	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M-2H+Na"	20.974666
"861325"	269.163566	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-2H+Na"	20.974666
"1628670"	269.163566	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Na-2H"	20.974666
"108118"	265.169963	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M-H+Cl"	33.962126
"547799"	389.264413	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M-H+Cl"	33.962126
"938276"	141.075513	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-H+Cl"	33.962126
"274646"	531.347202	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+Cl"	34.969402
"666702"	779.536102	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+Cl"	34.969402
"1281656"	283.158302	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Cl"	34.969402
"24210"	533.326406	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M-2H+K"	36.948606
"456437"	781.515306	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M-2H+K"	36.948606
"836468"	285.137506	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-2H+K"	36.948606
"1563236"	285.137506	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+K-2H"	36.948606
"949660"	293.187094	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-H+HCOOH"	44.998194
"368605"	541.376001	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+HCOOH-H"	44.998201
"351759"	555.391651	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+Hac-H"	59.013851
"1496949"	307.202751	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Hac-H"	59.013851
"964858"	315.169051	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-H+NaCOOH"	66.980151
"113400"	283.158302	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+2Cl"	69.938804
"555147"	407.252752	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+2Cl"	69.938804
"1029051"	159.063852	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2Cl"	69.938804
"1248264"	327.107785	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Br"	78.918885
"1309254"	329.163772	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Cl+HCOOH"	80.974872
"1322741"	351.145729	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Cl+NaCOOH"	102.956829
"915988"	361.174486	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M-H+CF3COOH"	112.985586
"1291603"	397.151164	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Cl+CF3COOH"	148.962264
"1368548"	213.176224	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H-2H2O"	-35.012676
"1394921"	231.1862	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H-H2O"	-17.0027
"290233"	497.385076	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+H"	1.007276
"682654"	745.573976	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+H"	1.007276
"1360097"	249.196176	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H"	1.007276
"134081"	249.196176	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+2H"	2.014552
"570360"	373.290626	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+2H"	2.014552
"1045723"	125.101726	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2H"	2.014552
"212529"	166.466542666667	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+3H"	3.021828
"648812"	249.196176	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+3H"	3.021828
"1168028"	83.7369093333333	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+3H"	3.021828
"431304"	514.411623	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+NH4"	18.033823
"791204"	762.600523	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+NH4"	18.033823
"1688627"	266.222723	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+NH4"	18.033823
"336907"	257.7094495	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+H+NH4"	19.041099
"731513"	381.8038995	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+H+NH4"	19.041099
"1483148"	133.6149995	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H+NH4"	19.041099
"400730"	519.367018	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+Na"	22.989218
"763913"	767.555918	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+Na"	22.989218
"1606545"	271.178118	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Na"	22.989218
"320956"	260.187147	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+H+Na"	23.996494
"714472"	384.281597	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+H+Na"	23.996494
"1470482"	136.092697	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H+Na"	23.996494
"1064821"	91.0642233333333	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2H+Na"	25.00377
"1267595"	281.222386	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+CH3OH+H"	33.033486
"392324"	535.340958	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+K"	38.963158
"753361"	783.529858	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+K"	38.963158
"1553592"	287.152058	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+K"	38.963158
"307486"	268.174117	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+H+K"	39.970434
"701001"	392.268567	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+H+K"	39.970434
"1457008"	144.079667	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H+K"	39.970434
"237590"	538.411626	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+ACN+H"	42.033826
"1213577"	290.222726	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+ACN+H"	42.033826
"1195286"	145.615001	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+ACN+2H"	43.041102
"192897"	541.34896	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+2Na-H"	44.97116
"634282"	789.53786	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+2Na-H"	44.97116
"1135601"	293.16006	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2Na-H"	44.97116
"177075"	271.178118	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+2Na"	45.978436
"616267"	395.272568	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+2Na"	45.978436
"1126708"	147.083668	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2Na"	45.978436
"1406951"	98.3915373333333	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H+2Na"	46.985712
"1432502"	295.201646	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H+HCOOH"	47.012746
"222930"	276.21114	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+3H2O+2H"	56.04448
"1511722"	309.25369	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+IsoProp+H"	61.06479
"413230"	279.165088	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+Na+K"	61.952376
"774225"	403.259538	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+Na+K"	61.952376
"1668367"	155.070638	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Na+K"	61.952376
"254162"	560.393568	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+ACN+Na"	64.015768
"1227231"	312.204668	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+ACN+Na"	64.015768
"1721957"	312.228193	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+NH4+HCOOH"	64.039293
"1187313"	105.718851333333	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+3Na"	68.967654
"1655020"	317.183588	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Na+HCOOH"	68.994688
"164068"	573.29684	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+2K-H"	76.91904
"601443"	821.48574	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+2K-H"	76.91904
"1089235"	325.10794	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2K-H"	76.91904
"146049"	287.152058	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"2M+2K"	77.926316
"587799"	411.246508	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"3M+2K"	77.926316
"1075590"	163.057608	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2K"	77.926316
"1104426"	327.122492	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2K+H"	78.933592
"1339720"	327.210107	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+DMSO+H"	79.021207
"1009343"	331.249276	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2ACN+H"	83.060376
"1535487"	332.242908	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+IsoProp+Na+H"	84.054008
"995006"	166.128276	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+2ACN+2H"	84.067652
"1593883"	333.157528	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+K+HCOOH"	84.968628
"1416264"	363.189038	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+H+CF3COOH"	115.000138
"1149470"	186.641551	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+3ACN+2H"	125.094202
"1702666"	380.215585	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+NH4+CF3COOH"	132.026685
"1635036"	385.17098	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+Na+CF3COOH"	136.98208
"1584908"	401.14492	"C10774"	"Matrine"	"C15H24N2O"	"248.1889"	"M+K+CF3COOH"	152.95602
"809805"	246.1732	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M"	0
"983338"	227.15481	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-H2O-H"	-19.01839
"71581"	163.108190666667	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M-3H"	-3.021828
"517705"	245.165924	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M-3H"	-3.021828
"890039"	81.0504573333333	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-3H"	-3.021828
"14816"	245.165924	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M-2H"	-2.014552
"451465"	368.252524	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M-2H"	-2.014552
"830363"	122.079324	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-2H"	-2.014552
"92786"	491.339124	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M-H"	-1.007276
"532469"	737.512324	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M-H"	-1.007276
"908810"	245.165924	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-H"	-1.007276
"58815"	508.365671	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M-2H+NH4"	16.019271
"501050"	754.538871	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M-2H+NH4"	16.019271
"878001"	262.192471	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-2H+NH4"	16.019271
"44442"	513.321066	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M-2H+Na"	20.974666
"484732"	759.494266	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M-2H+Na"	20.974666
"861435"	267.147866	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-2H+Na"	20.974666
"1629873"	267.147866	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Na-2H"	20.974666
"107497"	263.154263	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M-H+Cl"	33.962126
"545964"	386.240863	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M-H+Cl"	33.962126
"941181"	140.067663	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-H+Cl"	33.962126
"279130"	527.315802	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+Cl"	34.969402
"673374"	773.489002	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+Cl"	34.969402
"1285043"	281.142602	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Cl"	34.969402
"24322"	529.295006	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M-2H+K"	36.948606
"462059"	775.468206	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M-2H+K"	36.948606
"839858"	283.121806	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-2H+K"	36.948606
"1562982"	283.121806	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+K-2H"	36.948606
"949770"	291.171394	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-H+HCOOH"	44.998194
"367621"	537.344601	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+HCOOH-H"	44.998201
"352962"	551.360251	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+Hac-H"	59.013851
"1498153"	305.187051	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Hac-H"	59.013851
"967153"	313.153351	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-H+NaCOOH"	66.980151
"114968"	281.142602	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+2Cl"	69.938804
"556715"	404.229202	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+2Cl"	69.938804
"1024783"	158.056002	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2Cl"	69.938804
"1244726"	325.092085	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Br"	78.918885
"1310092"	327.148072	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Cl+HCOOH"	80.974872
"1322484"	349.130029	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Cl+NaCOOH"	102.956829
"913545"	359.158786	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M-H+CF3COOH"	112.985586
"1290254"	395.135464	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Cl+CF3COOH"	148.962264
"1367400"	211.160524	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H-2H2O"	-35.012676
"1395031"	229.1705	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H-H2O"	-17.0027
"287063"	493.353676	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+H"	1.007276
"682764"	739.526876	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+H"	1.007276
"1358019"	247.180476	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H"	1.007276
"133098"	247.180476	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+2H"	2.014552
"577030"	370.267076	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+2H"	2.014552
"1045831"	124.093876	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2H"	2.014552
"214825"	165.122742666667	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+3H"	3.021828
"651108"	247.180476	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+3H"	3.021828
"1167046"	83.0650093333333	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+3H"	3.021828
"434694"	510.380223	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+NH4"	18.033823
"792409"	756.553423	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+NH4"	18.033823
"1690925"	264.207023	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+NH4"	18.033823
"337017"	255.6937495	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+H+NH4"	19.041099
"728345"	378.7803495	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+H+NH4"	19.041099
"1485444"	132.6071495	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H+NH4"	19.041099
"400841"	515.335618	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+Na"	22.989218
"766210"	761.508818	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+Na"	22.989218
"1609935"	269.162418	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Na"	22.989218
"320337"	258.171447	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+H+Na"	23.996494
"715676"	381.258047	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+H+Na"	23.996494
"1472779"	135.084847	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H+Na"	23.996494
"1064931"	90.3923233333333	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2H+Na"	25.00377
"1268798"	279.206686	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+CH3OH+H"	33.033486
"392110"	531.309558	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+K"	38.963158
"753471"	777.482758	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+K"	38.963158
"1555550"	285.136358	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+K"	38.963158
"309784"	266.158417	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+H+K"	39.970434
"702204"	389.245017	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+H+K"	39.970434
"1456025"	143.071817	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H+K"	39.970434
"237696"	534.380226	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+ACN+H"	42.033826
"1212594"	288.207026	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+ACN+H"	42.033826
"1196855"	144.607151	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+ACN+2H"	43.041102
"195194"	537.31756	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+2Na-H"	44.97116
"632932"	783.49076	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+2Na-H"	44.97116
"1135345"	291.14436	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2Na-H"	44.97116
"177184"	269.162418	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+2Na"	45.978436
"618199"	392.249018	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+2Na"	45.978436
"1129004"	146.075818	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2Na"	45.978436
"1407061"	97.7196373333333	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H+2Na"	46.985712
"1432979"	293.185946	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H+HCOOH"	47.012746
"227778"	274.19544	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+3H2O+2H"	56.04448
"1514019"	307.23799	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+IsoProp+H"	61.06479
"417714"	277.149388	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+Na+K"	61.952376
"775429"	400.235988	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+Na+K"	61.952376
"1668842"	154.062788	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Na+K"	61.952376
"254272"	556.362168	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+ACN+Na"	64.015768
"1230256"	310.188968	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+ACN+Na"	64.015768
"1719880"	310.212493	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+NH4+HCOOH"	64.039293
"1184508"	105.046951333333	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+3Na"	68.967654
"1655130"	315.167888	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Na+HCOOH"	68.994688
"160899"	569.26544	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+2K-H"	76.91904
"601553"	815.43864	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+2K-H"	76.91904
"1091531"	323.09224	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2K-H"	76.91904
"146159"	285.136358	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"2M+2K"	77.926316
"587909"	408.222958	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"3M+2K"	77.926316
"1075700"	162.049758	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2K"	77.926316
"1104538"	325.106792	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2K+H"	78.933592
"1344206"	325.194407	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+DMSO+H"	79.021207
"1009453"	329.233576	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2ACN+H"	83.060376
"1533045"	330.227208	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+IsoProp+Na+H"	84.054008
"995116"	165.120426	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+2ACN+2H"	84.067652
"1593993"	331.141828	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+K+HCOOH"	84.968628
"1417467"	361.173338	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+H+CF3COOH"	115.000138
"1149580"	185.633701	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+3ACN+2H"	125.094202
"1702776"	378.199885	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+NH4+CF3COOH"	132.026685
"1635146"	383.15528	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+Na+CF3COOH"	136.98208
"1585018"	399.12922	"C10775"	"Multiflorine"	"C15H22N2O"	"246.1732"	"M+K+CF3COOH"	152.95602
"808822"	264.1838	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M"	0
"982355"	245.16541	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-H2O-H"	-19.01839
"71691"	175.115257333333	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M-3H"	-3.021828
"505785"	263.176524	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M-3H"	-3.021828
"891243"	87.0539906666667	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-3H"	-3.021828
"7631"	263.176524	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M-2H"	-2.014552
"449387"	395.268424	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M-2H"	-2.014552
"832737"	131.084624	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-2H"	-2.014552
"94072"	527.360324	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M-H"	-1.007276
"533916"	791.544124	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M-H"	-1.007276
"910013"	263.176524	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-H"	-1.007276
"62328"	544.386871	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M-2H+NH4"	16.019271
"500669"	808.570671	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M-2H+NH4"	16.019271
"879447"	280.203071	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-2H+NH4"	16.019271
"46132"	549.342266	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M-2H+Na"	20.974666
"485570"	813.526066	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M-2H+Na"	20.974666
"857171"	285.158466	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-2H+Na"	20.974666
"1629983"	285.158466	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Na-2H"	20.974666
"107607"	281.164863	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M-H+Cl"	33.962126
"543887"	413.256763	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M-H+Cl"	33.962126
"941290"	149.072963	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-H+Cl"	33.962126
"278146"	563.337002	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+Cl"	34.969402
"673120"	827.520802	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+Cl"	34.969402
"1285153"	299.153202	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Cl"	34.969402
"25525"	565.316206	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M-2H+K"	36.948606
"459254"	829.500006	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M-2H+K"	36.948606
"836688"	301.132406	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-2H+K"	36.948606
"1561632"	301.132406	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+K-2H"	36.948606
"949880"	309.181994	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-H+HCOOH"	44.998194
"367003"	573.365801	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+HCOOH-H"	44.998201
"350886"	587.381451	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+Hac-H"	59.013851
"1497533"	323.197651	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Hac-H"	59.013851
"963983"	331.163951	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-H+NaCOOH"	66.980151
"112162"	299.153202	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+2Cl"	69.938804
"556825"	431.245102	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+2Cl"	69.938804
"1028905"	167.061302	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2Cl"	69.938804
"1245200"	343.102685	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Br"	78.918885
"1310931"	345.158672	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Cl+HCOOH"	80.974872
"1320528"	367.140629	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Cl+NaCOOH"	102.956829
"912319"	377.169386	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M-H+CF3COOH"	112.985586
"1290729"	413.146064	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Cl+CF3COOH"	148.962264
"1367916"	229.171124	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H-2H2O"	-35.012676
"1391861"	247.1811	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H-H2O"	-17.0027
"286080"	529.374876	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+H"	1.007276
"681781"	793.558676	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+H"	1.007276
"1358129"	265.191076	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H"	1.007276
"133208"	265.191076	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+2H"	2.014552
"572767"	397.282976	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+2H"	2.014552
"1043755"	133.099176	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2H"	2.014552
"213842"	177.129809333333	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+3H"	3.021828
"650125"	265.191076	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+3H"	3.021828
"1167156"	89.0685426666667	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+3H"	3.021828
"434804"	546.401423	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+NH4"	18.033823
"793613"	810.585223	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+NH4"	18.033823
"1689942"	282.217623	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+NH4"	18.033823
"338220"	273.7043495	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+H+NH4"	19.041099
"731734"	405.7962495	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+H+NH4"	19.041099
"1485554"	141.6124495	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H+NH4"	19.041099
"402045"	551.356818	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+Na"	22.989218
"763040"	815.540618	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+Na"	22.989218
"1608952"	287.173018	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Na"	22.989218
"321176"	276.182047	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+H+Na"	23.996494
"716151"	408.273947	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+H+Na"	23.996494
"1473618"	144.090147	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H+Na"	23.996494
"1063583"	96.3958566666667	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2H+Na"	25.00377
"1267815"	297.217286	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+CH3OH+H"	33.033486
"392220"	567.330758	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+K"	38.963158
"753460"	831.514558	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+K"	38.963158
"1555504"	303.146958	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+K"	38.963158
"312446"	284.169017	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+H+K"	39.970434
"703407"	416.260917	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+H+K"	39.970434
"1456135"	152.077117	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H+K"	39.970434
"235862"	570.401426	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+ACN+H"	42.033826
"1211974"	306.217626	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+ACN+H"	42.033826
"1195262"	153.612451	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+ACN+2H"	43.041102
"190930"	573.33876	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+2Na-H"	44.97116
"629274"	837.52256	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+2Na-H"	44.97116
"1134726"	309.15496	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2Na-H"	44.97116
"177658"	287.173018	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+2Na"	45.978436
"614665"	419.264918	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+2Na"	45.978436
"1117440"	155.081118	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2Na"	45.978436
"1410450"	103.723170666667	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H+2Na"	46.985712
"1437099"	311.196546	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H+HCOOH"	47.012746
"224607"	292.20604	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+3H2O+2H"	56.04448
"1513399"	325.24859	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+IsoProp+H"	61.06479
"414908"	295.159988	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+Na+K"	61.952376
"777725"	427.251888	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+Na+K"	61.952376
"1669682"	163.068088	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Na+K"	61.952376
"251946"	592.383368	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+ACN+Na"	64.015768
"1228179"	328.199568	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+ACN+Na"	64.015768
"1723270"	328.223093	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+NH4+HCOOH"	64.039293
"1185349"	111.050484666667	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+3Na"	68.967654
"1657429"	333.178488	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Na+HCOOH"	68.994688
"163197"	605.28664	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+2K-H"	76.91904
"604943"	869.47044	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+2K-H"	76.91904
"1091641"	341.10284	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2K-H"	76.91904
"146269"	303.146958	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"2M+2K"	77.926316
"588020"	435.238858	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"3M+2K"	77.926316
"1075810"	171.055058	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2K"	77.926316
"1104648"	343.117392	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2K+H"	78.933592
"1342128"	343.205007	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+DMSO+H"	79.021207
"1007740"	347.244176	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2ACN+H"	83.060376
"1533154"	348.237808	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+IsoProp+Na+H"	84.054008
"995226"	174.125726	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+2ACN+2H"	84.067652
"1593010"	349.152428	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+K+HCOOH"	84.968628
"1417941"	379.183938	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+H+CF3COOH"	115.000138
"1150054"	194.639001	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+3ACN+2H"	125.094202
"1702886"	396.210485	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+NH4+CF3COOH"	132.026685
"1634892"	401.16588	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+Na+CF3COOH"	136.98208
"1585128"	417.13982	"C10776"	"Nuttalline"	"C15H24N2O2"	"264.1838"	"M+K+CF3COOH"	152.95602
"808932"	317.2831	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M"	0
"988905"	298.26471	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-H2O-H"	-19.01839
"75082"	210.514790666667	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M-3H"	-3.021828
"516831"	316.275824	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M-3H"	-3.021828
"889168"	104.753757333333	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-3H"	-3.021828
"8835"	316.275824	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M-2H"	-2.014552
"455454"	474.917374	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M-2H"	-2.014552
"832757"	157.634274	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-2H"	-2.014552
"93733"	633.558924	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M-H"	-1.007276
"532200"	950.842024	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M-H"	-1.007276
"905750"	316.275824	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-H"	-1.007276
"53564"	650.585471	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M-2H+NH4"	16.019271
"502245"	967.868571	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M-2H+NH4"	16.019271
"878581"	333.302371	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-2H+NH4"	16.019271
"45754"	655.540866	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M-2H+Na"	20.974666
"486046"	972.823966	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M-2H+Na"	20.974666
"858373"	338.257766	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-2H+Na"	20.974666
"1630094"	338.257766	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Na-2H"	20.974666
"105530"	334.264163	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M-H+Cl"	33.962126
"545090"	492.905713	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M-H+Cl"	33.962126
"938606"	175.622613	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-H+Cl"	33.962126
"276069"	669.535602	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+Cl"	34.969402
"672865"	986.818702	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+Cl"	34.969402
"1285263"	352.252502	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Cl"	34.969402
"28915"	671.514806	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M-2H+K"	36.948606
"458636"	988.797906	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M-2H+K"	36.948606
"841903"	354.231706	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-2H+K"	36.948606
"1564297"	354.231706	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+K-2H"	36.948606
"952178"	362.281294	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-H+HCOOH"	44.998194
"368207"	679.564401	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+HCOOH-H"	44.998201
"352089"	693.580051	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+Hac-H"	59.013851
"1498737"	376.296951	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Hac-H"	59.013851
"965186"	384.263251	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-H+NaCOOH"	66.980151
"110935"	352.252502	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+2Cl"	69.938804
"552562"	510.894052	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+2Cl"	69.938804
"1027922"	193.610952	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2Cl"	69.938804
"1251874"	396.201985	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Br"	78.918885
"1313228"	398.257972	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Cl+HCOOH"	80.974872
"1323799"	420.239929	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Cl+NaCOOH"	102.956829
"911695"	430.268686	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M-H+CF3COOH"	112.985586
"1289748"	466.245364	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Cl+CF3COOH"	148.962264
"1372287"	282.270424	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H-2H2O"	-35.012676
"1391971"	300.2804	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H-H2O"	-17.0027
"286190"	635.573476	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+H"	1.007276
"680798"	952.856576	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+H"	1.007276
"1356052"	318.290376	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H"	1.007276
"133318"	318.290376	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+2H"	2.014552
"572878"	476.931926	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+2H"	2.014552
"1042773"	159.648826	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2H"	2.014552
"211768"	212.529342666667	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+3H"	3.021828
"651329"	318.290376	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+3H"	3.021828
"1170546"	106.768309333333	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+3H"	3.021828
"433821"	652.600023	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+NH4"	18.033823
"793723"	969.883123	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+NH4"	18.033823
"1691146"	335.316923	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+NH4"	18.033823
"336144"	326.8036495	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+H+NH4"	19.041099
"731844"	485.4451995	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+H+NH4"	19.041099
"1486757"	168.1620995	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H+NH4"	19.041099
"397782"	657.555418	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+Na"	22.989218
"759871"	974.838518	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+Na"	22.989218
"1605782"	340.272318	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Na"	22.989218
"321287"	329.281347	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+H+Na"	23.996494
"711524"	487.922897	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+H+Na"	23.996494
"1468626"	170.639797	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H+Na"	23.996494
"1062963"	114.095623333333	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2H+Na"	25.00377
"1265738"	350.316586	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+CH3OH+H"	33.033486
"390508"	673.529358	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+K"	38.963158
"752233"	990.812458	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+K"	38.963158
"1554533"	356.246258	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+K"	38.963158
"311100"	337.268317	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+H+K"	39.970434
"701331"	495.909867	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+H+K"	39.970434
"1458432"	178.626767	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H+K"	39.970434
"236459"	676.600026	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+ACN+H"	42.033826
"1212449"	359.316926	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+ACN+H"	42.033826
"1195251"	180.162101	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+ACN+2H"	43.041102
"192134"	679.53736	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+2Na-H"	44.97116
"631332"	996.82046	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+2Na-H"	44.97116
"1134473"	362.25426	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2Na-H"	44.97116
"176673"	340.272318	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+2Na"	45.978436
"617691"	498.913868	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+2Na"	45.978436
"1119373"	181.630768	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2Na"	45.978436
"1412383"	121.422937333333	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H+2Na"	46.985712
"1433928"	364.295846	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H+HCOOH"	47.012746
"222527"	345.30534	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+3H2O+2H"	56.04448
"1510590"	378.34789	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+IsoProp+H"	61.06479
"413923"	348.259288	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+Na+K"	61.952376
"776742"	506.900838	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+Na+K"	61.952376
"1673072"	189.617738	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Na+K"	61.952376
"252303"	698.581968	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+ACN+Na"	64.015768
"1228289"	381.298868	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+ACN+Na"	64.015768
"1720100"	381.322393	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+NH4+HCOOH"	64.039293
"1183265"	128.750251333333	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+3Na"	68.967654
"1657538"	386.277788	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Na+HCOOH"	68.994688
"164397"	711.48524	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+2K-H"	76.91904
"603960"	1028.76834	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+2K-H"	76.91904
"1091751"	394.20214	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2K-H"	76.91904
"145286"	356.246258	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"2M+2K"	77.926316
"590317"	514.887808	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"3M+2K"	77.926316
"1074827"	197.604708	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2K"	77.926316
"1104758"	396.216692	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2K+H"	78.933592
"1345519"	396.304307	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+DMSO+H"	79.021207
"1012953"	400.343476	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2ACN+H"	83.060376
"1532171"	401.337108	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+IsoProp+Na+H"	84.054008
"995336"	200.675376	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+2ACN+2H"	84.067652
"1594214"	402.251728	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+K+HCOOH"	84.968628
"1419875"	432.283238	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+H+CF3COOH"	115.000138
"1155633"	221.188651	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+3ACN+2H"	125.094202
"1706276"	449.309785	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+NH4+CF3COOH"	132.026685
"1636462"	454.26518	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+Na+CF3COOH"	136.98208
"1572843"	470.23912	"C10777"	"(-)-Ormosanine"	"C20H35N3"	"317.2831"	"M+K+CF3COOH"	152.95602
"812323"	315.2674	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M"	0
"982575"	296.24901	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-H2O-H"	-19.01839
"68631"	209.170990666667	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M-3H"	-3.021828
"508192"	314.260124	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M-3H"	-3.021828
"884900"	104.081857333333	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-3H"	-3.021828
"4569"	314.260124	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M-2H"	-2.014552
"454915"	471.893824	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M-2H"	-2.014552
"832319"	156.626424	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-2H"	-2.014552
"91778"	629.527524	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M-H"	-1.007276
"530246"	944.794924	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M-H"	-1.007276
"906954"	314.260124	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-H"	-1.007276
"60965"	646.554071	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M-2H+NH4"	16.019271
"501381"	961.821471	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M-2H+NH4"	16.019271
"878089"	331.286671	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-2H+NH4"	16.019271
"45383"	651.509466	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M-2H+Na"	20.974666
"484815"	966.776866	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M-2H+Na"	20.974666
"860667"	336.242066	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-2H+Na"	20.974666
"1626924"	336.242066	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Na-2H"	20.974666
"104546"	332.248463	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M-H+Cl"	33.962126
"541919"	489.882163	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M-H+Cl"	33.962126
"938716"	174.614763	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-H+Cl"	33.962126
"272899"	665.504202	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+Cl"	34.969402
"671881"	980.771602	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+Cl"	34.969402
"1285373"	350.236802	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Cl"	34.969402
"20278"	667.483406	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M-2H+K"	36.948606
"459837"	982.750806	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M-2H+K"	36.948606
"835451"	352.216006	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-2H+K"	36.948606
"1562221"	352.216006	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+K-2H"	36.948606
"946822"	360.265594	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-H+HCOOH"	44.998194
"365400"	675.533001	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+HCOOH-H"	44.998201
"351106"	689.548651	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+Hac-H"	59.013851
"1498847"	374.281251	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Hac-H"	59.013851
"962380"	382.247551	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-H+NaCOOH"	66.980151
"112746"	350.236802	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+2Cl"	69.938804
"550968"	507.870502	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+2Cl"	69.938804
"1024384"	192.603102	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2Cl"	69.938804
"1251254"	394.186285	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Br"	78.918885
"1316983"	396.242272	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Cl+HCOOH"	80.974872
"1325000"	418.224229	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Cl+NaCOOH"	102.956829
"912780"	428.252986	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M-H+CF3COOH"	112.985586
"1289128"	464.229664	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Cl+CF3COOH"	148.962264
"1367171"	280.254724	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H-2H2O"	-35.012676
"1392081"	298.2647	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H-H2O"	-17.0027
"287393"	631.542076	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+H"	1.007276
"682001"	946.809476	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+H"	1.007276
"1358352"	316.274676	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H"	1.007276
"131242"	316.274676	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+2H"	2.014552
"571894"	473.908376	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+2H"	2.014552
"1041790"	158.640976	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2H"	2.014552
"214066"	211.185542666667	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+3H"	3.021828
"652531"	316.274676	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+3H"	3.021828
"1168471"	106.096409333333	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+3H"	3.021828
"433932"	648.568623	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+NH4"	18.033823
"799301"	963.836023	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+NH4"	18.033823
"1692350"	333.301223	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+NH4"	18.033823
"336254"	324.7879495	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+H+NH4"	19.041099
"733047"	482.4216495	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+H+NH4"	19.041099
"1486868"	167.1542495	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H+NH4"	19.041099
"396799"	653.524018	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+Na"	22.989218
"761076"	968.791418	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+Na"	22.989218
"1609172"	338.256618	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Na"	22.989218
"322490"	327.265647	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+H+Na"	23.996494
"716007"	484.899347	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+H+Na"	23.996494
"1475662"	169.631947	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H+Na"	23.996494
"1064898"	113.423723333333	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2H+Na"	25.00377
"1268034"	348.300886	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+CH3OH+H"	33.033486
"389525"	669.497958	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+K"	38.963158
"751612"	984.765358	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+K"	38.963158
"1554638"	354.230558	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+K"	38.963158
"311211"	335.252617	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+H+K"	39.970434
"704356"	492.886317	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+H+K"	39.970434
"1458542"	177.618917	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H+K"	39.970434
"235921"	672.568626	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+ACN+H"	42.033826
"1212559"	357.301226	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+ACN+H"	42.033826
"1196092"	179.154251	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+ACN+2H"	43.041102
"190422"	675.50596	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+2Na-H"	44.97116
"631442"	990.77336	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+2Na-H"	44.97116
"1134947"	360.23856	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2Na-H"	44.97116
"176783"	338.256618	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+2Na"	45.978436
"617437"	495.890318	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+2Na"	45.978436
"1119847"	180.622918	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2Na"	45.978436
"1409576"	120.751037333333	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H+2Na"	46.985712
"1434038"	362.280146	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H+HCOOH"	47.012746
"223365"	343.28964	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+3H2O+2H"	56.04448
"1510336"	376.33219	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+IsoProp+H"	61.06479
"410023"	346.243588	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+Na+K"	61.952376
"775030"	503.877288	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+Na+K"	61.952376
"1672088"	188.609888	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Na+K"	61.952376
"252777"	694.550568	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+ACN+Na"	64.015768
"1225970"	379.283168	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+ACN+Na"	64.015768
"1719117"	379.306693	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+NH4+HCOOH"	64.039293
"1180458"	128.078351333333	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+3Na"	68.967654
"1656555"	384.262088	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Na+HCOOH"	68.994688
"161225"	707.45384	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+2K-H"	76.91904
"601882"	1022.72124	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+2K-H"	76.91904
"1090768"	392.18644	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2K-H"	76.91904
"144303"	354.230558	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"2M+2K"	77.926316
"587145"	511.864258	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"3M+2K"	77.926316
"1073845"	196.596858	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2K"	77.926316
"1103775"	394.200992	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2K+H"	78.933592
"1346721"	394.288607	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+DMSO+H"	79.021207
"1007596"	398.327776	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2ACN+H"	83.060376
"1532282"	399.321408	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+IsoProp+Na+H"	84.054008
"995447"	199.667526	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+2ACN+2H"	84.067652
"1593231"	400.236028	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+K+HCOOH"	84.968628
"1418161"	430.267538	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+H+CF3COOH"	115.000138
"1155743"	220.180801	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+3ACN+2H"	125.094202
"1706387"	447.294085	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+NH4+CF3COOH"	132.026685
"1640948"	452.24948	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+Na+CF3COOH"	136.98208
"1585348"	468.22342	"C10778"	"Panamine"	"C20H33N3"	"315.2674"	"M+K+CF3COOH"	152.95602
"810249"	317.2831	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M"	0
"988157"	298.26471	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-H2O-H"	-19.01839
"72025"	210.514790666667	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M-3H"	-3.021828
"508305"	316.275824	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M-3H"	-3.021828
"885014"	104.753757333333	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-3H"	-3.021828
"7964"	316.275824	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M-2H"	-2.014552
"454947"	474.917374	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M-2H"	-2.014552
"830562"	157.634274	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-2H"	-2.014552
"91890"	633.558924	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M-H"	-1.007276
"532183"	950.842024	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M-H"	-1.007276
"910591"	316.275824	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-H"	-1.007276
"61203"	650.585471	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M-2H+NH4"	16.019271
"501491"	967.868571	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M-2H+NH4"	16.019271
"877470"	333.302371	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-2H+NH4"	16.019271
"45616"	655.540866	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M-2H+Na"	20.974666
"486014"	972.823966	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M-2H+Na"	20.974666
"862724"	338.257766	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-2H+Na"	20.974666
"1633355"	338.257766	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Na-2H"	20.974666
"108306"	334.264163	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M-H+Cl"	33.962126
"548718"	492.905713	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M-H+Cl"	33.962126
"941259"	175.622613	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-H+Cl"	33.962126
"281272"	669.535602	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+Cl"	34.969402
"673082"	986.818702	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+Cl"	34.969402
"1286580"	352.252502	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Cl"	34.969402
"21485"	671.514806	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M-2H+K"	36.948606
"465420"	988.797906	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M-2H+K"	36.948606
"835566"	354.231706	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-2H+K"	36.948606
"1562333"	354.231706	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+K-2H"	36.948606
"952403"	362.281294	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-H+HCOOH"	44.998194
"369525"	679.564401	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+HCOOH-H"	44.998201
"352316"	693.580051	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+Hac-H"	59.013851
"1493859"	376.296951	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Hac-H"	59.013851
"959939"	384.263251	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-H+NaCOOH"	66.980151
"111274"	352.252502	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+2Cl"	69.938804
"550957"	510.894052	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+2Cl"	69.938804
"1024861"	193.610952	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2Cl"	69.938804
"1251000"	396.201985	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Br"	78.918885
"1308711"	398.257972	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Cl+HCOOH"	80.974872
"1322196"	420.239929	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Cl+NaCOOH"	102.956829
"911795"	430.268686	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M-H+CF3COOH"	112.985586
"1293251"	466.245364	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Cl+CF3COOH"	148.962264
"1380162"	282.270424	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H-2H2O"	-35.012676
"1386724"	300.2804	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H-H2O"	-17.0027
"290783"	635.573476	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+H"	1.007276
"678833"	952.856576	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+H"	1.007276
"1362839"	318.290376	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H"	1.007276
"131353"	318.290376	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+2H"	2.014552
"574196"	476.931926	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+2H"	2.014552
"1047368"	159.648826	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2H"	2.014552
"215269"	212.529342666667	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+3H"	3.021828
"658113"	318.290376	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+3H"	3.021828
"1174051"	106.768309333333	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+3H"	3.021828
"436229"	652.600023	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+NH4"	18.033823
"801225"	969.883123	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+NH4"	18.033823
"1689180"	335.316923	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+NH4"	18.033823
"342198"	326.8036495	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+H+NH4"	19.041099
"732067"	485.4451995	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+H+NH4"	19.041099
"1483699"	168.1620995	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H+NH4"	19.041099
"399097"	657.555418	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+Na"	22.989218
"767750"	974.838518	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+Na"	22.989218
"1608193"	340.272318	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Na"	22.989218
"325885"	329.281347	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+H+Na"	23.996494
"716118"	487.922897	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+H+Na"	23.996494
"1474313"	170.639797	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H+Na"	23.996494
"1063187"	114.095623333333	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2H+Na"	25.00377
"1260487"	350.316586	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+CH3OH+H"	33.033486
"380157"	673.529358	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+K"	38.963158
"749899"	990.812458	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+K"	38.963158
"1542110"	356.246258	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+K"	38.963158
"303660"	337.268317	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+H+K"	39.970434
"701548"	495.909867	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+H+K"	39.970434
"1453182"	178.626767	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H+K"	39.970434
"237406"	676.600026	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+ACN+H"	42.033826
"1211936"	359.316926	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+ACN+H"	42.033826
"1195823"	180.162101	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+ACN+2H"	43.041102
"192350"	679.53736	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+2Na-H"	44.97116
"634095"	996.82046	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+2Na-H"	44.97116
"1134695"	362.25426	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2Na-H"	44.97116
"177628"	340.272318	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+2Na"	45.978436
"619375"	498.913868	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+2Na"	45.978436
"1129443"	181.630768	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2Na"	45.978436
"1402762"	121.422937333333	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H+2Na"	46.985712
"1433053"	364.295846	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H+HCOOH"	47.012746
"222385"	345.30534	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+3H2O+2H"	56.04448
"1513000"	378.34789	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+IsoProp+H"	61.06479
"413415"	348.259288	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+Na+K"	61.952376
"774047"	506.900838	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+Na+K"	61.952376
"1665682"	189.617738	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Na+K"	61.952376
"252520"	698.581968	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+ACN+Na"	64.015768
"1225835"	381.298868	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+ACN+Na"	64.015768
"1713991"	381.322393	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+NH4+HCOOH"	64.039293
"1184584"	128.750251333333	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+3Na"	68.967654
"1654110"	386.277788	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Na+HCOOH"	68.994688
"168995"	711.48524	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+2K-H"	76.91904
"609649"	1028.76834	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+2K-H"	76.91904
"1091974"	394.20214	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2K-H"	76.91904
"148791"	356.246258	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"2M+2K"	77.926316
"589444"	514.887808	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"3M+2K"	77.926316
"1076143"	197.604708	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2K"	77.926316
"1106073"	396.216692	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2K+H"	78.933592
"1346831"	396.304307	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+DMSO+H"	79.021207
"1014265"	400.343476	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2ACN+H"	83.060376
"1535674"	401.337108	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+IsoProp+Na+H"	84.054008
"997747"	200.675376	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+2ACN+2H"	84.067652
"1596626"	402.251728	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+K+HCOOH"	84.968628
"1420098"	432.283238	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+H+CF3COOH"	115.000138
"1158042"	221.188651	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+3ACN+2H"	125.094202
"1703221"	449.309785	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+NH4+CF3COOH"	132.026685
"1641058"	454.26518	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+Na+CF3COOH"	136.98208
"1585458"	470.23912	"C10779"	"Piptanthine"	"C20H35N3"	"317.2831"	"M+K+CF3COOH"	152.95602
"805982"	250.2045	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M"	0
"982795"	231.18611	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-H2O-H"	-19.01839
"65568"	165.795724	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M-3H"	-3.021828
"505133"	249.197224	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M-3H"	-3.021828
"880258"	82.394224	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-3H"	-3.021828
"4795"	249.197224	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M-2H"	-2.014552
"453108"	374.299474	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M-2H"	-2.014552
"828726"	124.094974	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-2H"	-2.014552
"93098"	499.401724	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M-H"	-1.007276
"532899"	749.606224	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M-H"	-1.007276
"906081"	249.197224	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-H"	-1.007276
"62283"	516.428271	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M-2H+NH4"	16.019271
"502211"	766.632771	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M-2H+NH4"	16.019271
"877454"	266.223771	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-2H+NH4"	16.019271
"46451"	521.383666	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M-2H+Na"	20.974666
"483086"	771.588166	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M-2H+Na"	20.974666
"863565"	271.179166	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-2H+Na"	20.974666
"1631517"	271.179166	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Na-2H"	20.974666
"109225"	267.185563	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M-H+Cl"	33.962126
"548459"	392.287813	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M-H+Cl"	33.962126
"940030"	142.083313	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-H+Cl"	33.962126
"280410"	535.378402	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+Cl"	34.969402
"673192"	785.582902	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+Cl"	34.969402
"1286690"	285.173902	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Cl"	34.969402
"21595"	537.357606	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M-2H+K"	36.948606
"463344"	787.562106	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M-2H+K"	36.948606
"835676"	287.153106	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-2H+K"	36.948606
"1562443"	287.153106	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+K-2H"	36.948606
"952513"	295.202694	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-H+HCOOH"	44.998194
"371822"	545.407201	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+HCOOH-H"	44.998201
"352426"	559.422851	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+Hac-H"	59.013851
"1493359"	309.218351	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Hac-H"	59.013851
"959200"	317.184651	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-H+NaCOOH"	66.980151
"111511"	285.173902	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+2Cl"	69.938804
"552527"	410.276152	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+2Cl"	69.938804
"1030439"	160.071652	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2Cl"	69.938804
"1247830"	329.123385	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Br"	78.918885
"1308093"	331.179372	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Cl+HCOOH"	80.974872
"1322670"	353.161329	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Cl+NaCOOH"	102.956829
"913367"	363.190086	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M-H+CF3COOH"	112.985586
"1291535"	399.166764	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Cl+CF3COOH"	148.962264
"1373711"	215.191824	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H-2H2O"	-35.012676
"1383918"	233.2018	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H-H2O"	-17.0027
"283601"	501.416276	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+H"	1.007276
"677850"	751.620776	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+H"	1.007276
"1360761"	251.211776	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H"	1.007276
"130370"	251.211776	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+2H"	2.014552
"576492"	376.314026	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+2H"	2.014552
"1047478"	126.109526	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2H"	2.014552
"211003"	167.810276	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+3H"	3.021828
"650568"	251.211776	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+3H"	3.021828
"1170880"	84.408776	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+3H"	3.021828
"437068"	518.442823	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+NH4"	18.033823
"798065"	768.647323	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+NH4"	18.033823
"1690384"	268.238323	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+NH4"	18.033823
"338663"	259.7250495	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+H+NH4"	19.041099
"728896"	384.8272995	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+H+NH4"	19.041099
"1481619"	134.6227995	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H+NH4"	19.041099
"397020"	523.398218	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+Na"	22.989218
"765673"	773.602718	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+Na"	22.989218
"1608303"	273.193718	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Na"	22.989218
"319434"	262.202747	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+H+Na"	23.996494
"715131"	387.304997	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+H+Na"	23.996494
"1468956"	137.100497	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H+Na"	23.996494
"1060015"	91.73609	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2H+Na"	25.00377
"1258411"	283.237986	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+CH3OH+H"	33.033486
"379174"	539.372158	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+K"	38.963158
"746730"	789.576658	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+K"	38.963158
"1544407"	289.167658	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+K"	38.963158
"300490"	270.189717	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+H+K"	39.970434
"696192"	395.291967	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+H+K"	39.970434
"1452200"	145.087467	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H+K"	39.970434
"236302"	542.442826	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+ACN+H"	42.033826
"1210954"	292.238326	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+ACN+H"	42.033826
"1194716"	146.622801	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+ACN+2H"	43.041102
"192458"	545.38016	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+2Na-H"	44.97116
"629584"	795.58466	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+2Na-H"	44.97116
"1134805"	295.17566	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2Na-H"	44.97116
"179925"	273.193718	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+2Na"	45.978436
"621672"	398.295968	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+2Na"	45.978436
"1129068"	148.091468	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2Na"	45.978436
"1409796"	99.063404	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H+2Na"	46.985712
"1432798"	297.217246	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H+HCOOH"	47.012746
"222495"	278.22674	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+3H2O+2H"	56.04448
"1512746"	311.26929	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+IsoProp+H"	61.06479
"413525"	281.180688	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+Na+K"	61.952376
"771606"	406.282938	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+Na+K"	61.952376
"1666111"	156.078438	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Na+K"	61.952376
"252633"	564.424768	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+ACN+Na"	64.015768
"1226069"	314.220268	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+ACN+Na"	64.015768
"1712731"	314.243793	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+NH4+HCOOH"	64.039293
"1183599"	106.390718	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+3Na"	68.967654
"1657870"	319.199188	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Na+HCOOH"	68.994688
"165826"	577.32804	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+2K-H"	76.91904
"607574"	827.53254	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+2K-H"	76.91904
"1098283"	327.12354	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2K-H"	76.91904
"151090"	289.167658	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"2M+2K"	77.926316
"591379"	414.269908	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"3M+2K"	77.926316
"1077348"	164.065408	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2K"	77.926316
"1110558"	329.138092	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2K+H"	78.933592
"1345849"	329.225707	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+DMSO+H"	79.021207
"1016564"	333.264876	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2ACN+H"	83.060376
"1535784"	334.258508	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+IsoProp+Na+H"	84.054008
"995671"	167.136076	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+2ACN+2H"	84.067652
"1597830"	335.173128	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+K+HCOOH"	84.968628
"1420208"	365.204638	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+H+CF3COOH"	115.000138
"1158152"	187.649351	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+3ACN+2H"	125.094202
"1706611"	382.231185	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+NH4+CF3COOH"	132.026685
"1641168"	387.18658	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+Na+CF3COOH"	136.98208
"1585568"	403.16052	"C10780"	"Retamine"	"C15H26N2O"	"250.2045"	"M+K+CF3COOH"	152.95602
"806092"	244.1576	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M"	0
"982905"	225.13921	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-H2O-H"	-19.01839
"68961"	161.764457333333	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M-3H"	-3.021828
"509618"	243.150324	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M-3H"	-3.021828
"883044"	80.3785906666667	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-3H"	-3.021828
"4905"	243.150324	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M-2H"	-2.014552
"455121"	365.229124	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M-2H"	-2.014552
"832606"	121.071524	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-2H"	-2.014552
"93581"	487.307924	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M-H"	-1.007276
"534212"	731.465524	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M-H"	-1.007276
"911279"	243.150324	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-H"	-1.007276
"62484"	504.334471	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M-2H+NH4"	16.019271
"502560"	748.492071	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M-2H+NH4"	16.019271
"879763"	260.176871	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-2H+NH4"	16.019271
"46685"	509.289866	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M-2H+Na"	20.974666
"486765"	753.447466	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M-2H+Na"	20.974666
"862702"	265.132266	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-2H+Na"	20.974666
"1634066"	265.132266	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Na-2H"	20.974666
"109705"	261.138663	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M-H+Cl"	33.962126
"548691"	383.217463	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M-H+Cl"	33.962126
"942083"	139.059863	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-H+Cl"	33.962126
"277602"	523.284602	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+Cl"	34.969402
"674885"	767.442202	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+Cl"	34.969402
"1283524"	279.127002	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Cl"	34.969402
"20612"	525.263806	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M-2H+K"	36.948606
"462360"	769.421406	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M-2H+K"	36.948606
"837972"	281.106206	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-2H+K"	36.948606
"1560364"	281.106206	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+K-2H"	36.948606
"950436"	289.155794	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-H+HCOOH"	44.998194
"373025"	533.313401	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+HCOOH-H"	44.998201
"354724"	547.329051	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+Hac-H"	59.013851
"1493837"	303.171451	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Hac-H"	59.013851
"964537"	311.137751	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-H+NaCOOH"	66.980151
"111251"	279.127002	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+2Cl"	69.938804
"551540"	401.205802	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+2Cl"	69.938804
"1023991"	157.048202	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2Cl"	69.938804
"1244662"	323.076485	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Br"	78.918885
"1311483"	325.132472	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Cl+HCOOH"	80.974872
"1327885"	347.114429	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Cl+NaCOOH"	102.956829
"914572"	357.143186	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M-H+CF3COOH"	112.985586
"1291282"	393.119864	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Cl+CF3COOH"	148.962264
"1373821"	209.144924	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H-2H2O"	-35.012676
"1390225"	227.1549	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H-H2O"	-17.0027
"287724"	489.322476	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+H"	1.007276
"679054"	733.480076	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+H"	1.007276
"1355404"	245.164876	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H"	1.007276
"130480"	245.164876	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+2H"	2.014552
"576602"	367.243676	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+2H"	2.014552
"1051963"	123.086076	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2H"	2.014552
"216221"	163.779009333333	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+3H"	3.021828
"650678"	245.164876	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+3H"	3.021828
"1168803"	82.3931426666667	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+3H"	3.021828
"437542"	506.349023	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+NH4"	18.033823
"799999"	750.506623	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+NH4"	18.033823
"1691588"	262.191423	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+NH4"	18.033823
"340960"	253.6781495	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+H+NH4"	19.041099
"734474"	375.7569495	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+H+NH4"	19.041099
"1486107"	131.5993495	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H+NH4"	19.041099
"401506"	511.304418	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+Na"	22.989218
"766877"	755.462018	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+Na"	22.989218
"1613881"	267.146818	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Na"	22.989218
"322825"	256.155847	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+H+Na"	23.996494
"713060"	378.234647	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+H+Na"	23.996494
"1474536"	134.077047	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H+Na"	23.996494
"1063409"	89.7204566666667	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2H+Na"	25.00377
"1261802"	277.191086	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+CH3OH+H"	33.033486
"385845"	527.278358	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+K"	38.963158
"749028"	771.435958	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+K"	38.963158
"1547800"	283.120758	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+K"	38.963158
"309348"	264.142817	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+H+K"	39.970434
"698490"	386.221617	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+H+K"	39.970434
"1453403"	142.064017	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H+K"	39.970434
"238723"	530.349026	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+ACN+H"	42.033826
"1210256"	286.191426	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+ACN+H"	42.033826
"1195319"	143.599351	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+ACN+2H"	43.041102
"190382"	533.28636	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+2Na-H"	44.97116
"636504"	777.44396	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+2Na-H"	44.97116
"1134552"	289.12876	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2Na-H"	44.97116
"174073"	267.146818	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+2Na"	45.978436
"619594"	389.225618	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+2Na"	45.978436
"1122008"	145.068018	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2Na"	45.978436
"1400544"	97.0477706666667	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H+2Na"	46.985712
"1435465"	291.170346	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H+HCOOH"	47.012746
"221511"	272.17984	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+3H2O+2H"	56.04448
"1513221"	305.22239	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+IsoProp+H"	61.06479
"414001"	275.133788	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+Na+K"	61.952376
"772810"	397.212588	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+Na+K"	61.952376
"1666343"	153.054988	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Na+K"	61.952376
"252379"	552.330968	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+ACN+Na"	64.015768
"1230557"	308.173368	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+ACN+Na"	64.015768
"1715434"	308.196893	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+NH4+HCOOH"	64.039293
"1178673"	104.375084666667	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+3Na"	68.967654
"1650306"	313.152288	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Na+HCOOH"	68.994688
"163745"	565.23424	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+2K-H"	76.91904
"604399"	809.39184	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+2K-H"	76.91904
"1096203"	321.07664	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2K-H"	76.91904
"152292"	283.120758	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"2M+2K"	77.926316
"590758"	405.199558	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"3M+2K"	77.926316
"1081712"	161.041958	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2K"	77.926316
"1113586"	323.091192	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2K+H"	78.933592
"1349728"	323.178807	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+DMSO+H"	79.021207
"1015581"	327.217976	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2ACN+H"	83.060376
"1532614"	328.211608	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+IsoProp+Na+H"	84.054008
"995780"	164.112626	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+2ACN+2H"	84.067652
"1592470"	329.126228	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+K+HCOOH"	84.968628
"1419225"	359.157738	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+H+CF3COOH"	115.000138
"1162478"	184.625901	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+3ACN+2H"	125.094202
"1708907"	376.184285	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+NH4+CF3COOH"	132.026685
"1647839"	381.13968	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+Na+CF3COOH"	136.98208
"1574742"	397.11362	"C10781"	"Rhombifoline;(1R)-3-(3-Butenyl)-123456-hexahydro-15-methano-8H-pyrido12-a14diazocin-8-one"	"C15H20N2O"	"244.1576"	"M+K+CF3COOH"	152.95602
"812763"	244.1576	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M"	0
"977547"	225.13921	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-H2O-H"	-19.01839
"65424"	161.764457333333	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M-3H"	-3.021828
"506081"	243.150324	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M-3H"	-3.021828
"880317"	80.3785906666667	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-3H"	-3.021828
"7201"	243.150324	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M-2H"	-2.014552
"451137"	365.229124	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M-2H"	-2.014552
"831616"	121.071524	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-2H"	-2.014552
"93602"	487.307924	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M-H"	-1.007276
"532752"	731.465524	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M-H"	-1.007276
"908488"	243.150324	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-H"	-1.007276
"62792"	504.334471	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M-2H+NH4"	16.019271
"502715"	748.492071	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M-2H+NH4"	16.019271
"878037"	260.176871	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-2H+NH4"	16.019271
"42657"	509.289866	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M-2H+Na"	20.974666
"484404"	753.447466	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M-2H+Na"	20.974666
"857830"	265.132266	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-2H+Na"	20.974666
"1625178"	265.132266	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Na-2H"	20.974666
"101707"	261.138663	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M-H+Cl"	33.962126
"545641"	383.217463	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M-H+Cl"	33.962126
"930771"	139.059863	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-H+Cl"	33.962126
"278804"	523.284602	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+Cl"	34.969402
"675116"	767.442202	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+Cl"	34.969402
"1282540"	279.127002	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Cl"	34.969402
"20720"	525.263806	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M-2H+K"	36.948606
"462470"	769.421406	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M-2H+K"	36.948606
"835897"	281.106206	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-2H+K"	36.948606
"1556224"	281.106206	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+K-2H"	36.948606
"947267"	289.155794	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-H+HCOOH"	44.998194
"369856"	533.313401	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+HCOOH-H"	44.998201
"352646"	547.329051	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+Hac-H"	59.013851
"1503666"	303.171451	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Hac-H"	59.013851
"967926"	311.137751	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-H+NaCOOH"	66.980151
"114647"	279.127002	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+2Cl"	69.938804
"552748"	401.205802	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+2Cl"	69.938804
"1023366"	157.048202	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2Cl"	69.938804
"1242579"	323.076485	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Br"	78.918885
"1311593"	325.132472	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Cl+HCOOH"	80.974872
"1327995"	347.114429	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Cl+NaCOOH"	102.956829
"914682"	357.143186	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M-H+CF3COOH"	112.985586
"1291392"	393.119864	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Cl+CF3COOH"	148.962264
"1370651"	209.144924	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H-2H2O"	-35.012676
"1384140"	227.1549	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H-H2O"	-17.0027
"291116"	489.322476	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+H"	1.007276
"679165"	733.480076	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+H"	1.007276
"1353327"	245.164876	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H"	1.007276
"128400"	245.164876	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+2H"	2.014552
"570149"	367.243676	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+2H"	2.014552
"1048792"	123.086076	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2H"	2.014552
"217424"	163.779009333333	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+3H"	3.021828
"652978"	245.164876	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+3H"	3.021828
"1174382"	82.3931426666667	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+3H"	3.021828
"428906"	506.349023	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+NH4"	18.033823
"793181"	750.506623	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+NH4"	18.033823
"1690604"	262.191423	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+NH4"	18.033823
"336696"	253.6781495	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+H+NH4"	19.041099
"730211"	375.7569495	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+H+NH4"	19.041099
"1485125"	131.5993495	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H+NH4"	19.041099
"399430"	511.304418	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+Na"	22.989218
"763705"	755.462018	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+Na"	22.989218
"1613991"	267.146818	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Na"	22.989218
"321841"	256.155847	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+H+Na"	23.996494
"716450"	378.234647	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+H+Na"	23.996494
"1472459"	134.077047	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H+Na"	23.996494
"1062425"	89.7204566666667	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2H+Na"	25.00377
"1261547"	277.191086	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+CH3OH+H"	33.033486
"383768"	527.278358	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+K"	38.963158
"743669"	771.435958	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+K"	38.963158
"1546815"	283.120758	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+K"	38.963158
"303992"	264.142817	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+H+K"	39.970434
"697505"	386.221617	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+H+K"	39.970434
"1448046"	142.064017	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H+K"	39.970434
"237740"	530.349026	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+ACN+H"	42.033826
"1210820"	286.191426	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+ACN+H"	42.033826
"1199080"	143.599351	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+ACN+2H"	43.041102
"190856"	533.28636	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+2Na-H"	44.97116
"634428"	777.44396	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+2Na-H"	44.97116
"1135389"	289.12876	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2Na-H"	44.97116
"177585"	267.146818	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+2Na"	45.978436
"614471"	389.225618	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+2Na"	45.978436
"1122846"	145.068018	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2Na"	45.978436
"1400898"	97.0477706666667	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H+2Na"	46.985712
"1437762"	291.170346	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H+HCOOH"	47.012746
"224903"	272.17984	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+3H2O+2H"	56.04448
"1512602"	305.22239	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+IsoProp+H"	61.06479
"412288"	275.133788	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+Na+K"	61.952376
"774013"	397.212588	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+Na+K"	61.952376
"1670344"	153.054988	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Na+K"	61.952376
"254311"	552.330968	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+ACN+Na"	64.015768
"1229940"	308.173368	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+ACN+Na"	64.015768
"1715544"	308.196893	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+NH4+HCOOH"	64.039293
"1184912"	104.375084666667	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+3Na"	68.967654
"1654075"	313.152288	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Na+HCOOH"	68.994688
"169326"	565.23424	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+2K-H"	76.91904
"610952"	809.39184	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+2K-H"	76.91904
"1095585"	321.07664	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2K-H"	76.91904
"154589"	283.120758	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"2M+2K"	77.926316
"595609"	405.199558	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"3M+2K"	77.926316
"1083280"	161.041958	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2K"	77.926316
"1113937"	323.091192	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2K+H"	78.933592
"1346069"	323.178807	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+DMSO+H"	79.021207
"1014599"	327.217976	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2ACN+H"	83.060376
"1530537"	328.211608	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+IsoProp+Na+H"	84.054008
"996985"	164.112626	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+2ACN+2H"	84.067652
"1592583"	329.126228	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+K+HCOOH"	84.968628
"1429178"	359.157738	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+H+CF3COOH"	115.000138
"1161654"	184.625901	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+3ACN+2H"	125.094202
"1710111"	376.184285	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+NH4+CF3COOH"	132.026685
"1647587"	381.13968	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+Na+CF3COOH"	136.98208
"1585788"	397.11362	"C10782"	"Sophoramine"	"C15H20N2O"	"244.1576"	"M+K+CF3COOH"	152.95602
"806312"	234.2096	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M"	0
"977657"	215.19121	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-H2O-H"	-19.01839
"63140"	155.132457333333	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M-3H"	-3.021828
"504369"	233.202324	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M-3H"	-3.021828
"880339"	77.0625906666667	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-3H"	-3.021828
"5125"	233.202324	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M-2H"	-2.014552
"451247"	350.307124	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M-2H"	-2.014552
"830146"	116.097524	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-2H"	-2.014552
"90142"	467.411924	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M-H"	-1.007276
"526422"	701.621524	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M-H"	-1.007276
"907504"	233.202324	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-H"	-1.007276
"62779"	484.438471	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M-2H+NH4"	16.019271
"500345"	718.648071	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M-2H+NH4"	16.019271
"872680"	250.228871	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-2H+NH4"	16.019271
"41674"	489.393866	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M-2H+Na"	20.974666
"483420"	723.603466	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M-2H+Na"	20.974666
"862316"	255.184266	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-2H+Na"	20.974666
"1628567"	255.184266	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Na-2H"	20.974666
"98901"	251.190663	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M-H+Cl"	33.962126
"539190"	368.295463	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M-H+Cl"	33.962126
"928695"	134.085863	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-H+Cl"	33.962126
"280007"	503.388602	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+Cl"	34.969402
"669149"	737.598202	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+Cl"	34.969402
"1283744"	269.179002	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Cl"	34.969402
"24110"	505.367806	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M-2H+K"	36.948606
"461486"	739.577406	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M-2H+K"	36.948606
"836007"	271.158206	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-2H+K"	36.948606
"1557305"	271.158206	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+K-2H"	36.948606
"947377"	279.207794	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-H+HCOOH"	44.998194
"367779"	513.417401	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+HCOOH-H"	44.998201
"352756"	527.433051	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+Hac-H"	59.013851
"1503776"	293.223451	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Hac-H"	59.013851
"966943"	301.189751	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-H+NaCOOH"	66.980151
"110746"	269.179002	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+2Cl"	69.938804
"553222"	386.283802	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+2Cl"	69.938804
"1022382"	152.074202	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2Cl"	69.938804
"1241837"	313.128485	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Br"	78.918885
"1308423"	315.184472	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Cl+HCOOH"	80.974872
"1328105"	337.166429	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Cl+NaCOOH"	102.956829
"912967"	347.195186	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M-H+CF3COOH"	112.985586
"1290408"	383.171864	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Cl+CF3COOH"	148.962264
"1370757"	199.196924	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H-2H2O"	-35.012676
"1383886"	217.2069	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H-H2O"	-17.0027
"291226"	469.426476	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+H"	1.007276
"679275"	703.636076	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+H"	1.007276
"1352344"	235.216876	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H"	1.007276
"128511"	235.216876	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+2H"	2.014552
"569165"	352.321676	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+2H"	2.014552
"1047808"	118.112076	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2H"	2.014552
"210239"	157.147009333333	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+3H"	3.021828
"653088"	235.216876	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+3H"	3.021828
"1170117"	79.0771426666667	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+3H"	3.021828
"426100"	486.453023	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+NH4"	18.033823
"796571"	720.662623	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+NH4"	18.033823
"1687434"	252.243423	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+NH4"	18.033823
"336805"	243.7301495	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+H+NH4"	19.041099
"730321"	360.8349495	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+H+NH4"	19.041099
"1485235"	126.6253495	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H+NH4"	19.041099
"401727"	491.408418	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+Na"	22.989218
"760535"	725.618018	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+Na"	22.989218
"1609727"	257.198818	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Na"	22.989218
"318671"	246.207847	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+H+Na"	23.996494
"710000"	363.312647	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+H+Na"	23.996494
"1469289"	129.103047	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H+Na"	23.996494
"1061442"	86.4044566666667	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2H+Na"	25.00377
"1258741"	267.243086	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+CH3OH+H"	33.033486
"383880"	507.382358	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+K"	38.963158
"741593"	741.591958	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+K"	38.963158
"1546928"	273.172758	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+K"	38.963158
"303009"	254.194817	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+H+K"	39.970434
"695429"	371.299617	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+H+K"	39.970434
"1446577"	137.090017	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H+K"	39.970434
"237484"	510.453026	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+ACN+H"	42.033826
"1210443"	276.243426	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+ACN+H"	42.033826
"1197003"	138.625351	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+ACN+2H"	43.041102
"189629"	513.39036	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+2Na-H"	44.97116
"632351"	747.59996	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+2Na-H"	44.97116
"1134407"	279.18076	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2Na-H"	44.97116
"175875"	257.198818	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+2Na"	45.978436
"614340"	374.303618	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+2Na"	45.978436
"1123685"	140.094018	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2Na"	45.978436
"1403198"	93.7317706666667	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H+2Na"	46.985712
"1435685"	281.222346	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H+HCOOH"	47.012746
"221733"	262.23184	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+3H2O+2H"	56.04448
"1510523"	295.27439	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+IsoProp+H"	61.06479
"408830"	265.185788	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+Na+K"	61.952376
"772665"	382.290588	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+Na+K"	61.952376
"1666443"	148.080988	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Na+K"	61.952376
"253328"	532.434968	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+ACN+Na"	64.015768
"1228957"	298.225368	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+ACN+Na"	64.015768
"1714561"	298.248893	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+NH4+HCOOH"	64.039293
"1187211"	101.059084666667	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+3Na"	68.967654
"1653821"	303.204288	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Na+HCOOH"	68.994688
"165060"	545.33824	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+2K-H"	76.91904
"605714"	779.54784	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+2K-H"	76.91904
"1095695"	311.12864	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2K-H"	76.91904
"155793"	273.172758	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"2M+2K"	77.926316
"595720"	390.277558	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"3M+2K"	77.926316
"1083919"	156.067958	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2K"	77.926316
"1115227"	313.143192	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2K+H"	78.933592
"1347272"	313.230807	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+DMSO+H"	79.021207
"1014709"	317.269976	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2ACN+H"	83.060376
"1529554"	318.263608	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+IsoProp+Na+H"	84.054008
"997095"	159.138626	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+2ACN+2H"	84.067652
"1590506"	319.178228	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+K+HCOOH"	84.968628
"1427101"	349.209738	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+H+CF3COOH"	115.000138
"1158484"	179.651901	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+3ACN+2H"	125.094202
"1710221"	366.236285	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+NH4+CF3COOH"	132.026685
"1647697"	371.19168	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+Na+CF3COOH"	136.98208
"1585898"	387.16562	"C10783"	"(-)-Sparteine;Sparteine"	"C15H26N2"	"234.2096"	"M+K+CF3COOH"	152.95602
"806422"	358.2144	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M"	0
"979224"	339.19601	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-H2O-H"	-19.01839
"63816"	237.802324	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M-3H"	-3.021828
"506667"	357.207124	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M-3H"	-3.021828
"880286"	118.397524	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-3H"	-3.021828
"7421"	357.207124	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M-2H"	-2.014552
"451357"	536.314324	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M-2H"	-2.014552
"830742"	178.099924	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-2H"	-2.014552
"86972"	715.421524	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M-H"	-1.007276
"527626"	1073.635924	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M-H"	-1.007276
"908708"	357.207124	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-H"	-1.007276
"61748"	732.448071	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M-2H+NH4"	16.019271
"497175"	1090.662471	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M-2H+NH4"	16.019271
"876070"	374.233671	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-2H+NH4"	16.019271
"43607"	737.403466	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M-2H+Na"	20.974666
"482436"	1095.617866	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M-2H+Na"	20.974666
"860237"	379.189066	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-2H+Na"	20.974666
"1622482"	379.189066	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Na-2H"	20.974666
"98646"	375.195463	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M-H+Cl"	33.962126
"542580"	554.302663	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M-H+Cl"	33.962126
"936094"	196.088263	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-H+Cl"	33.962126
"276837"	751.398202	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+Cl"	34.969402
"671445"	1109.612602	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+Cl"	34.969402
"1286040"	393.183802	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Cl"	34.969402
"19118"	753.377406	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M-2H+K"	36.948606
"467065"	1111.591806	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M-2H+K"	36.948606
"836116"	395.163006	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-2H+K"	36.948606
"1556198"	395.163006	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+K-2H"	36.948606
"947487"	403.212594	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-H+HCOOH"	44.998194
"366796"	761.427001	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+HCOOH-H"	44.998201
"349585"	775.442651	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+Hac-H"	59.013851
"1497326"	417.228251	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Hac-H"	59.013851
"960128"	425.194551	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-H+NaCOOH"	66.980151
"111705"	393.183802	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+2Cl"	69.938804
"555520"	572.291002	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+2Cl"	69.938804
"1023587"	214.076602	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2Cl"	69.938804
"1242437"	437.133285	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Br"	78.918885
"1308533"	439.189272	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Cl+HCOOH"	80.974872
"1328215"	461.171229	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Cl+NaCOOH"	102.956829
"912710"	471.199986	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M-H+CF3COOH"	112.985586
"1291243"	507.176664	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Cl+CF3COOH"	148.962264
"1369046"	323.201724	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H-2H2O"	-35.012676
"1383996"	341.2117	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H-H2O"	-17.0027
"285868"	717.436076	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+H"	1.007276
"676949"	1075.650476	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+H"	1.007276
"1352454"	359.221676	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H"	1.007276
"127162"	359.221676	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+2H"	2.014552
"567816"	538.328876	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+2H"	2.014552
"1040264"	180.114476	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2H"	2.014552
"209256"	239.816876	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+3H"	3.021828
"655384"	359.221676	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+3H"	3.021828
"1172415"	120.412076	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+3H"	3.021828
"436779"	734.462623	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+NH4"	18.033823
"800449"	1092.677023	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+NH4"	18.033823
"1688638"	376.248223	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+NH4"	18.033823
"338009"	367.7349495	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+H+NH4"	19.041099
"732618"	546.8421495	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+H+NH4"	19.041099
"1486439"	188.6277495	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H+NH4"	19.041099
"399651"	739.418018	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+Na"	22.989218
"761738"	1097.632418	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+Na"	22.989218
"1609837"	381.203618	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Na"	22.989218
"317687"	370.212647	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+H+Na"	23.996494
"712296"	549.319847	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+H+Na"	23.996494
"1473772"	191.105447	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H+Na"	23.996494
"1060457"	127.73939	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2H+Na"	25.00377
"1258852"	391.247886	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+CH3OH+H"	33.033486
"382896"	755.391958	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+K"	38.963158
"742799"	1113.606358	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+K"	38.963158
"1547036"	397.177558	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+K"	38.963158
"303121"	378.199617	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+H+K"	39.970434
"696633"	557.306817	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+H+K"	39.970434
"1449362"	199.092417	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H+K"	39.970434
"236623"	758.462626	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+ACN+H"	42.033826
"1210431"	400.248226	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+ACN+H"	42.033826
"1196749"	200.627751	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+ACN+2H"	43.041102
"188884"	761.39996	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+2Na-H"	44.97116
"629908"	1119.61436	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+2Na-H"	44.97116
"1134517"	403.18556	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2Na-H"	44.97116
"174887"	381.203618	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+2Na"	45.978436
"615542"	560.310818	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+2Na"	45.978436
"1119420"	202.096418	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2Na"	45.978436
"1401120"	135.066704	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H+2Na"	46.985712
"1435797"	405.227146	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H+HCOOH"	47.012746
"224397"	386.23664	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+3H2O+2H"	56.04448
"1511000"	419.27919	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+IsoProp+H"	61.06479
"408864"	389.190588	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+Na+K"	61.952376
"770296"	568.297788	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+Na+K"	61.952376
"1668743"	210.083388	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Na+K"	61.952376
"253809"	780.444568	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+ACN+Na"	64.015768
"1234174"	422.230168	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+ACN+Na"	64.015768
"1718686"	422.253693	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+NH4+HCOOH"	64.039293
"1181853"	142.394018	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+3Na"	68.967654
"1656120"	427.209088	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Na+HCOOH"	68.994688
"169546"	793.34784	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+2K-H"	76.91904
"612105"	1151.56224	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+2K-H"	76.91904
"1099292"	435.13344	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2K-H"	76.91904
"156271"	397.177558	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"2M+2K"	77.926316
"596195"	576.284758	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"3M+2K"	77.926316
"1078881"	218.070358	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2K"	77.926316
"1112091"	437.147992	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2K+H"	78.933592
"1347381"	437.235607	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+DMSO+H"	79.021207
"1017006"	441.274776	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2ACN+H"	83.060376
"1531851"	442.268408	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+IsoProp+Na+H"	84.054008
"997205"	221.141026	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+2ACN+2H"	84.067652
"1592803"	443.183028	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+K+HCOOH"	84.968628
"1426847"	473.214538	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+H+CF3COOH"	115.000138
"1161876"	241.654301	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+3ACN+2H"	125.094202
"1711425"	490.241085	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+NH4+CF3COOH"	132.026685
"1648171"	495.19648	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+Na+CF3COOH"	136.98208
"1586008"	511.17042	"C10784"	"Cannabidiolic acid;Cannabidiolate"	"C22H30O4"	"358.2144"	"M+K+CF3COOH"	152.95602
"806532"	302.261	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M"	0
"976783"	283.24261	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-H2O-H"	-19.01839
"66114"	200.500057333333	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M-3H"	-3.021828
"504583"	301.253724	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M-3H"	-3.021828
"882382"	99.7463906666667	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-3H"	-3.021828
"2173"	301.253724	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M-2H"	-2.014552
"451467"	452.384224	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M-2H"	-2.014552
"831095"	150.123224	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-2H"	-2.014552
"91328"	603.514724	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M-H"	-1.007276
"524455"	905.775724	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M-H"	-1.007276
"904444"	301.253724	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-H"	-1.007276
"56632"	620.541271	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M-2H+NH4"	16.019271
"499471"	922.802271	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M-2H+NH4"	16.019271
"876180"	318.280271	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-2H+NH4"	16.019271
"42986"	625.496666	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M-2H+Na"	20.974666
"480359"	927.757666	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M-2H+Na"	20.974666
"858160"	323.235666	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-2H+Na"	20.974666
"1622592"	323.235666	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Na-2H"	20.974666
"98756"	319.242063	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M-H+Cl"	33.962126
"537221"	470.372563	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M-H+Cl"	33.962126
"935111"	168.111563	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-H+Cl"	33.962126
"275854"	639.491402	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+Cl"	34.969402
"669369"	941.752402	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+Cl"	34.969402
"1276308"	337.230402	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Cl"	34.969402
"18135"	641.470606	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M-2H+K"	36.948606
"467175"	943.731606	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M-2H+K"	36.948606
"836226"	339.209606	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-2H+K"	36.948606
"1556105"	339.209606	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+K-2H"	36.948606
"946504"	347.259194	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-H+HCOOH"	44.998194
"365812"	649.520201	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+HCOOH-H"	44.998201
"350789"	663.535851	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+Hac-H"	59.013851
"1498529"	361.274851	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Hac-H"	59.013851
"959510"	369.241151	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-H+NaCOOH"	66.980151
"112424"	337.230402	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+2Cl"	69.938804
"555630"	488.360902	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+2Cl"	69.938804
"1024065"	186.099902	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2Cl"	69.938804
"1243644"	381.179885	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Br"	78.918885
"1315203"	383.235872	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Cl+HCOOH"	80.974872
"1328325"	405.217829	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Cl+NaCOOH"	102.956829
"913552"	415.246586	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M-H+CF3COOH"	112.985586
"1290625"	451.223264	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Cl+CF3COOH"	148.962264
"1372072"	267.248324	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H-2H2O"	-35.012676
"1384106"	285.2583	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H-H2O"	-17.0027
"285978"	605.529276	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+H"	1.007276
"678399"	907.790276	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+H"	1.007276
"1352928"	303.268276	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H"	1.007276
"129094"	303.268276	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+2H"	2.014552
"567926"	454.398776	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+2H"	2.014552
"1043654"	152.137776	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2H"	2.014552
"211554"	202.514609333333	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+3H"	3.021828
"653307"	303.268276	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+3H"	3.021828
"1173618"	101.760942666667	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+3H"	3.021828
"437982"	622.555823	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+NH4"	18.033823
"799345"	924.816823	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+NH4"	18.033823
"1694944"	320.294823	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+NH4"	18.033823
"340304"	311.7815495	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+H+NH4"	19.041099
"730540"	462.9120495	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+H+NH4"	19.041099
"1484361"	160.6510495	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H+NH4"	19.041099
"400854"	627.511218	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+Na"	22.989218
"760754"	929.772218	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+Na"	22.989218
"1609947"	325.250218	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Na"	22.989218
"318890"	314.259247	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+H+Na"	23.996494
"713498"	465.389747	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+H+Na"	23.996494
"1467321"	163.128747	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H+Na"	23.996494
"1062754"	109.088256666667	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2H+Na"	25.00377
"1257868"	335.294486	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+CH3OH+H"	33.033486
"383006"	643.485158	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+K"	38.963158
"746189"	945.746158	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+K"	38.963158
"1546054"	341.224158	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+K"	38.963158
"302135"	322.246217	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+H+K"	39.970434
"696745"	473.376717	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+H+K"	39.970434
"1450566"	171.115717	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H+K"	39.970434
"236492"	646.555826	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+ACN+H"	42.033826
"1210660"	344.294826	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+ACN+H"	42.033826
"1196006"	172.651051	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+ACN+2H"	43.041102
"189238"	649.49316	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+2Na-H"	44.97116
"631111"	951.75416	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+2Na-H"	44.97116
"1137179"	347.23216	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2Na-H"	44.97116
"176457"	325.250218	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+2Na"	45.978436
"617842"	476.380718	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+2Na"	45.978436
"1118070"	174.119718	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2Na"	45.978436
"1402322"	116.415570666667	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H+2Na"	46.985712
"1434438"	349.273746	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H+HCOOH"	47.012746
"225600"	330.28324	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+3H2O+2H"	56.04448
"1510382"	363.32579	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+IsoProp+H"	61.06479
"409944"	333.237188	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+Na+K"	61.952376
"771058"	484.367688	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+Na+K"	61.952376
"1668853"	182.106688	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Na+K"	61.952376
"254647"	668.537768	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+ACN+Na"	64.015768
"1233191"	366.276768	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+ACN+Na"	64.015768
"1717703"	366.300293	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+NH4+HCOOH"	64.039293
"1181963"	123.742884666667	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+3Na"	68.967654
"1656230"	371.255688	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Na+HCOOH"	68.994688
"166009"	681.44104	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+2K-H"	76.91904
"609216"	983.70204	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+2K-H"	76.91904
"1098349"	379.18004	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2K-H"	76.91904
"155530"	341.224158	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"2M+2K"	77.926316
"594479"	492.354658	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"3M+2K"	77.926316
"1076805"	190.093658	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2K"	77.926316
"1111108"	381.194592	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2K+H"	78.933592
"1346398"	381.282207	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+DMSO+H"	79.021207
"1017116"	385.321376	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2ACN+H"	83.060376
"1533054"	386.315008	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+IsoProp+Na+H"	84.054008
"996222"	193.164326	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+2ACN+2H"	84.067652
"1591820"	387.229628	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+K+HCOOH"	84.968628
"1427321"	417.261138	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+H+CF3COOH"	115.000138
"1162728"	213.677601	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+3ACN+2H"	125.094202
"1712265"	434.287685	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+NH4+CF3COOH"	132.026685
"1647188"	439.24308	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+Na+CF3COOH"	136.98208
"1586118"	455.21702	"C10785"	"(15:1)-Cardanol;3-(Z)-8-Pentadecenylphenol"	"C21H34O"	"302.261"	"M+K+CF3COOH"	152.95602
"807735"	317.2831	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M"	0
"977257"	298.26471	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-H2O-H"	-19.01839
"64522"	210.514790666667	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M-3H"	-3.021828
"504328"	316.275824	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M-3H"	-3.021828
"881399"	104.753757333333	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-3H"	-3.021828
"1069"	316.275824	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M-2H"	-2.014552
"451577"	474.917374	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M-2H"	-2.014552
"832592"	157.634274	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-2H"	-2.014552
"92652"	633.558924	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M-H"	-1.007276
"526752"	950.842024	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M-H"	-1.007276
"906741"	316.275824	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-H"	-1.007276
"56742"	650.585471	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M-2H+NH4"	16.019271
"500310"	967.868571	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M-2H+NH4"	16.019271
"877018"	333.302371	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-2H+NH4"	16.019271
"45282"	655.540866	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M-2H+Na"	20.974666
"480469"	972.823966	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M-2H+Na"	20.974666
"858270"	338.257766	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-2H+Na"	20.974666
"1625618"	338.257766	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Na-2H"	20.974666
"96677"	334.264163	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M-H+Cl"	33.962126
"536603"	492.905713	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M-H+Cl"	33.962126
"931940"	175.622613	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-H+Cl"	33.962126
"275963"	669.535602	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+Cl"	34.969402
"668385"	986.818702	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+Cl"	34.969402
"1277511"	352.252502	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Cl"	34.969402
"21161"	671.514806	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M-2H+K"	36.948606
"470201"	988.797906	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M-2H+K"	36.948606
"836336"	354.231706	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-2H+K"	36.948606
"1556544"	354.231706	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+K-2H"	36.948606
"946614"	362.281294	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-H+HCOOH"	44.998194
"365922"	679.564401	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+HCOOH-H"	44.998201
"349805"	693.580051	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+Hac-H"	59.013851
"1501919"	376.296951	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Hac-H"	59.013851
"965087"	384.263251	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-H+NaCOOH"	66.980151
"115088"	352.252502	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+2Cl"	69.938804
"561208"	510.894052	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+2Cl"	69.938804
"1028915"	193.610952	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2Cl"	69.938804
"1244484"	396.201985	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Br"	78.918885
"1314951"	398.257972	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Cl+HCOOH"	80.974872
"1326249"	420.239929	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Cl+NaCOOH"	102.956829
"911390"	430.268686	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M-H+CF3COOH"	112.985586
"1290008"	466.245364	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Cl+CF3COOH"	148.962264
"1371089"	282.270424	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H-2H2O"	-35.012676
"1385309"	300.2804	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H-H2O"	-17.0027
"289368"	635.573476	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+H"	1.007276
"679604"	952.856576	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+H"	1.007276
"1354131"	318.290376	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H"	1.007276
"129569"	318.290376	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+2H"	2.014552
"571681"	476.931926	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+2H"	2.014552
"1047044"	159.648826	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2H"	2.014552
"209841"	212.529342666667	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+3H"	3.021828
"657062"	318.290376	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+3H"	3.021828
"1174456"	106.768309333333	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+3H"	3.021828
"436635"	652.600023	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+NH4"	18.033823
"800183"	969.883123	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+NH4"	18.033823
"1692868"	335.316923	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+NH4"	18.033823
"338228"	326.8036495	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+H+NH4"	19.041099
"730649"	485.4451995	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+H+NH4"	19.041099
"1484471"	168.1620995	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H+NH4"	19.041099
"400964"	657.555418	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+Na"	22.989218
"759771"	974.838518	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+Na"	22.989218
"1610057"	340.272318	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Na"	22.989218
"319000"	329.281347	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+H+Na"	23.996494
"711786"	487.922897	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+H+Na"	23.996494
"1468525"	170.639797	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H+Na"	23.996494
"1062864"	114.095623333333	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2H+Na"	25.00377
"1260895"	350.316586	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+CH3OH+H"	33.033486
"385303"	673.529358	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+K"	38.963158
"744112"	990.812458	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+K"	38.963158
"1546163"	356.246258	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+K"	38.963158
"302246"	337.268317	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+H+K"	39.970434
"693575"	495.909867	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+H+K"	39.970434
"1450676"	178.626767	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H+K"	39.970434
"236360"	676.600026	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+ACN+H"	42.033826
"1209994"	359.316926	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+ACN+H"	42.033826
"1195023"	180.162101	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+ACN+2H"	43.041102
"189469"	679.53736	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+2Na-H"	44.97116
"628788"	996.82046	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+2Na-H"	44.97116
"1136560"	362.25426	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2Na-H"	44.97116
"177296"	340.272318	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+2Na"	45.978436
"617220"	498.913868	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+2Na"	45.978436
"1118545"	181.630768	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2Na"	45.978436
"1400245"	121.422937333333	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H+2Na"	46.985712
"1432362"	364.295846	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H+HCOOH"	47.012746
"226803"	345.30534	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+3H2O+2H"	56.04448
"1514865"	378.34789	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+IsoProp+H"	61.06479
"410544"	348.259288	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+Na+K"	61.952376
"771898"	506.900838	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+Na+K"	61.952376
"1669328"	189.617738	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Na+K"	61.952376
"256214"	698.581968	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+ACN+Na"	64.015768
"1232208"	381.298868	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+ACN+Na"	64.015768
"1716720"	381.322393	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+NH4+HCOOH"	64.039293
"1186446"	128.750251333333	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+3Na"	68.967654
"1657433"	386.277788	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Na+HCOOH"	68.994688
"164298"	711.48524	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+2K-H"	76.91904
"609326"	1028.76834	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+2K-H"	76.91904
"1098459"	394.20214	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2K-H"	76.91904
"156248"	356.246258	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"2M+2K"	77.926316
"593496"	514.887808	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"3M+2K"	77.926316
"1076915"	197.604708	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2K"	77.926316
"1111218"	396.216692	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2K+H"	78.933592
"1343229"	396.304307	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+DMSO+H"	79.021207
"1016862"	400.343476	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2ACN+H"	83.060376
"1533164"	401.337108	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+IsoProp+Na+H"	84.054008
"996332"	200.675376	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+2ACN+2H"	84.067652
"1591930"	402.251728	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+K+HCOOH"	84.968628
"1426338"	432.283238	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+H+CF3COOH"	115.000138
"1159908"	221.188651	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+3ACN+2H"	125.094202
"1710552"	449.309785	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+NH4+CF3COOH"	132.026685
"1646205"	454.26518	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+Na+CF3COOH"	136.98208
"1586228"	470.23912	"C10786"	"Templetine"	"C20H35N3"	"317.2831"	"M+K+CF3COOH"	152.95602
"806752"	154.063	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M"	0
"977003"	135.04461	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-H2O-H"	-19.01839
"65241"	101.701390666667	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M-3H"	-3.021828
"503710"	153.055724	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M-3H"	-3.021828
"881509"	50.3470573333333	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-3H"	-3.021828
"286"	153.055724	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M-2H"	-2.014552
"451687"	230.087224	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M-2H"	-2.014552
"832736"	76.024224	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-2H"	-2.014552
"91668"	307.118724	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M-H"	-1.007276
"533864"	461.181724	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M-H"	-1.007276
"899554"	153.055724	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-H"	-1.007276
"61712"	324.145271	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M-2H+NH4"	16.019271
"497503"	478.208271	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M-2H+NH4"	16.019271
"879439"	170.082271	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-2H+NH4"	16.019271
"42841"	329.100666	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M-2H+Na"	20.974666
"478392"	483.163666	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M-2H+Na"	20.974666
"858380"	175.037666	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-2H+Na"	20.974666
"1623905"	175.037666	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Na-2H"	20.974666
"103349"	171.044063	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M-H+Cl"	33.962126
"541815"	248.075563	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M-H+Cl"	33.962126
"934236"	94.012563	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-H+Cl"	33.962126
"271699"	343.095402	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+Cl"	34.969402
"662659"	497.158402	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+Cl"	34.969402
"1284181"	189.032402	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Cl"	34.969402
"24552"	345.074606	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M-2H+K"	36.948606
"470311"	499.137606	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M-2H+K"	36.948606
"839726"	191.011606	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-2H+K"	36.948606
"1563214"	191.011606	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+K-2H"	36.948606
"946724"	199.061194	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-H+HCOOH"	44.998194
"371500"	353.124201	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+HCOOH-H"	44.998201
"354290"	367.139851	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+Hac-H"	59.013851
"1506402"	213.076851	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Hac-H"	59.013851
"966290"	221.043151	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-H+NaCOOH"	66.980151
"120665"	189.032402	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+2Cl"	69.938804
"563505"	266.063902	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+2Cl"	69.938804
"1026839"	112.000902	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2Cl"	69.938804
"1247510"	232.981885	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Br"	78.918885
"1316518"	235.037872	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Cl+HCOOH"	80.974872
"1329639"	257.019829	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Cl+NaCOOH"	102.956829
"911949"	267.048586	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M-H+CF3COOH"	112.985586
"1290118"	303.025264	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Cl+CF3COOH"	148.962264
"1374478"	119.050324	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H-2H2O"	-35.012676
"1393075"	137.0603	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H-H2O"	-17.0027
"296407"	309.133276	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+H"	1.007276
"681904"	463.196276	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+H"	1.007276
"1353877"	155.070276	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H"	1.007276
"131140"	155.070276	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+2H"	2.014552
"571792"	232.101776	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+2H"	2.014552
"1048247"	78.038776	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2H"	2.014552
"210680"	103.715942666667	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+3H"	3.021828
"658513"	155.070276	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+3H"	3.021828
"1174930"	52.3616093333333	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+3H"	3.021828
"436016"	326.159823	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+NH4"	18.033823
"799933"	480.222823	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+NH4"	18.033823
"1691156"	172.096823	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+NH4"	18.033823
"339431"	163.5835495	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+H+NH4"	19.041099
"731851"	240.6150495	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+H+NH4"	19.041099
"1482395"	86.5520495	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H+NH4"	19.041099
"402169"	331.115218	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+Na"	22.989218
"759882"	485.178218	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+Na"	22.989218
"1609074"	177.052218	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Na"	22.989218
"320204"	166.061247	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+H+Na"	23.996494
"711532"	243.092747	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+H+Na"	23.996494
"1468637"	89.029747	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H+Na"	23.996494
"1067350"	59.6889233333333	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2H+Na"	25.00377
"1262465"	187.096486	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+CH3OH+H"	33.033486
"385414"	347.089158	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+K"	38.963158
"743129"	501.152158	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+K"	38.963158
"1541898"	193.026158	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+K"	38.963158
"303449"	174.048217	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+H+K"	39.970434
"691577"	251.079717	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+H+K"	39.970434
"1446411"	97.016717	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H+K"	39.970434
"235943"	350.159826	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+ACN+H"	42.033826
"1209979"	196.096826	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+ACN+H"	42.033826
"1197079"	98.552051	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+ACN+2H"	43.041102
"189949"	353.09716	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+2Na-H"	44.97116
"631697"	507.16016	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+2Na-H"	44.97116
"1137399"	199.03416	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2Na-H"	44.97116
"178501"	177.052218	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+2Na"	45.978436
"616603"	254.083718	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+2Na"	45.978436
"1120843"	100.020718	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2Na"	45.978436
"1402543"	67.0162373333333	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H+2Na"	46.985712
"1438304"	201.075746	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H+HCOOH"	47.012746
"228010"	182.08524	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+3H2O+2H"	56.04448
"1512790"	215.12779	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+IsoProp+H"	61.06479
"410653"	185.039188	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+Na+K"	61.952376
"772008"	262.070688	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+Na+K"	61.952376
"1669438"	108.007688	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Na+K"	61.952376
"255596"	372.141768	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+ACN+Na"	64.015768
"1234503"	218.078768	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+ACN+Na"	64.015768
"1721203"	218.102293	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+NH4+HCOOH"	64.039293
"1190931"	74.3435513333333	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+3Na"	68.967654
"1658640"	223.057688	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Na+HCOOH"	68.994688
"166595"	385.04504	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+2K-H"	76.91904
"606156"	539.10804	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+2K-H"	76.91904
"1099664"	230.98204	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2K-H"	76.91904
"156897"	193.026158	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"2M+2K"	77.926316
"594699"	270.057658	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"3M+2K"	77.926316
"1079211"	115.994658	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2K"	77.926316
"1111328"	232.996592	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2K+H"	78.933592
"1346618"	233.084207	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+DMSO+H"	79.021207
"1019525"	237.123376	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2ACN+H"	83.060376
"1538745"	238.117008	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+IsoProp+Na+H"	84.054008
"995349"	119.065326	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+2ACN+2H"	84.067652
"1600425"	239.031628	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+K+HCOOH"	84.968628
"1429652"	269.063138	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+H+CF3COOH"	115.000138
"1160018"	139.578601	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+3ACN+2H"	125.094202
"1711027"	286.089685	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+NH4+CF3COOH"	132.026685
"1646315"	291.04508	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+Na+CF3COOH"	136.98208
"1586338"	307.01902	"C10787"	"26-Dimethoxyphenol;Pyrogallol 13-dimethyl ether"	"C8H10O3"	"154.063"	"M+K+CF3COOH"	152.95602
"803582"	302.0063	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M"	0
"975047"	282.98791	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-H2O-H"	-19.01839
"63201"	200.330257333333	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M-3H"	-3.021828
"503330"	300.999024	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M-3H"	-3.021828
"881618"	99.6614906666667	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-3H"	-3.021828
"349"	300.999024	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M-2H"	-2.014552
"451797"	452.002174	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M-2H"	-2.014552
"832355"	149.995874	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-2H"	-2.014552
"88497"	603.005324	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M-H"	-1.007276
"526964"	905.011624	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M-H"	-1.007276
"900390"	300.999024	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-H"	-1.007276
"60242"	620.031871	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M-2H+NH4"	16.019271
"497613"	922.038171	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M-2H+NH4"	16.019271
"876875"	318.025571	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-2H+NH4"	16.019271
"40035"	624.987266	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M-2H+Na"	20.974666
"477409"	926.993566	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M-2H+Na"	20.974666
"858489"	322.980966	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-2H+Na"	20.974666
"1623651"	322.980966	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Na-2H"	20.974666
"96898"	318.987363	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M-H+Cl"	33.962126
"539738"	469.990513	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M-H+Cl"	33.962126
"934346"	167.984213	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-H+Cl"	33.962126
"271078"	638.982002	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+Cl"	34.969402
"661677"	940.988302	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+Cl"	34.969402
"1283198"	336.975702	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Cl"	34.969402
"24662"	640.961206	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M-2H+K"	36.948606
"467505"	942.967506	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M-2H+K"	36.948606
"834124"	338.954906	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-2H+K"	36.948606
"1563324"	338.954906	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+K-2H"	36.948606
"946834"	347.004494	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-H+HCOOH"	44.998194
"367236"	649.010801	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+HCOOH-H"	44.998201
"352213"	663.026451	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+Hac-H"	59.013851
"1496671"	361.020151	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Hac-H"	59.013851
"964213"	368.986451	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-H+NaCOOH"	66.980151
"114579"	336.975702	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+2Cl"	69.938804
"557054"	487.978852	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+2Cl"	69.938804
"1028041"	185.972552	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2Cl"	69.938804
"1246526"	380.925185	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Br"	78.918885
"1315171"	382.981172	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Cl+HCOOH"	80.974872
"1324281"	404.963129	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Cl+NaCOOH"	102.956829
"911561"	414.991886	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M-H+CF3COOH"	112.985586
"1288553"	450.968564	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Cl+CF3COOH"	148.962264
"1374588"	266.993624	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H-2H2O"	-35.012676
"1393185"	285.0036	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H-H2O"	-17.0027
"295058"	605.019876	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+H"	1.007276
"685294"	907.026176	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+H"	1.007276
"1353258"	303.013576	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H"	1.007276
"130157"	303.013576	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+2H"	2.014552
"570080"	454.016726	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+2H"	2.014552
"1046171"	152.010426	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2H"	2.014552
"210790"	202.344809333333	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+3H"	3.021828
"658137"	303.013576	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+3H"	3.021828
"1173947"	101.676042666667	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+3H"	3.021828
"436126"	622.046423	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+NH4"	18.033823
"799311"	924.052723	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+NH4"	18.033823
"1693452"	320.040123	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+NH4"	18.033823
"340636"	311.5268495	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+H+NH4"	19.041099
"730139"	462.5299995	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+H+NH4"	19.041099
"1485781"	160.5236995	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H+NH4"	19.041099
"402279"	627.001818	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+Na"	22.989218
"762178"	929.008118	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+Na"	22.989218
"1608090"	324.995518	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Na"	22.989218
"319220"	314.004547	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+H+Na"	23.996494
"712734"	465.007697	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+H+Na"	23.996494
"1474213"	163.001397	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H+Na"	23.996494
"1067216"	109.003356666667	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2H+Na"	25.00377
"1264762"	335.039786	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+CH3OH+H"	33.033486
"385524"	642.975758	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+K"	38.963158
"745425"	944.982058	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+K"	38.963158
"1550758"	340.969458	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+K"	38.963158
"303559"	321.991517	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+H+K"	39.970434
"693793"	472.994667	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+H+K"	39.970434
"1448707"	170.988367	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H+K"	39.970434
"236216"	646.046426	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+ACN+H"	42.033826
"1209905"	344.040126	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+ACN+H"	42.033826
"1196824"	172.523701	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+ACN+2H"	43.041102
"190788"	648.98376	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+2Na-H"	44.97116
"629132"	950.99006	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+2Na-H"	44.97116
"1136416"	346.97746	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2Na-H"	44.97116
"179704"	324.995518	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+2Na"	45.978436
"615985"	475.998668	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+2Na"	45.978436
"1121317"	173.992368	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2Na"	45.978436
"1402653"	116.330670666667	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H+2Na"	46.985712
"1432946"	349.019046	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H+HCOOH"	47.012746
"225930"	330.02854	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+3H2O+2H"	56.04448
"1512900"	363.07109	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+IsoProp+H"	61.06479
"410763"	332.982488	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+Na+K"	61.952376
"772490"	483.985638	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+Na+K"	61.952376
"1670644"	181.979338	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Na+K"	61.952376
"256800"	668.028368	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+ACN+Na"	64.015768
"1236801"	366.022068	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+ACN+Na"	64.015768
"1724594"	366.045593	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+NH4+HCOOH"	64.039293
"1191042"	123.657984666667	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+3Na"	68.967654
"1659843"	371.000988	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Na+HCOOH"	68.994688
"167434"	680.93164	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+2K-H"	76.91904
"608453"	982.93794	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+2K-H"	76.91904
"1094059"	378.92534	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2K-H"	76.91904
"157113"	340.969458	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"2M+2K"	77.926316
"594810"	491.972608	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"3M+2K"	77.926316
"1080413"	189.966308	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2K"	77.926316
"1111438"	380.939892	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2K+H"	78.933592
"1346728"	381.027507	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+DMSO+H"	79.021207
"1018541"	385.066676	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2ACN+H"	83.060376
"1538490"	386.060308	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+IsoProp+Na+H"	84.054008
"996552"	193.036976	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+2ACN+2H"	84.067652
"1600535"	386.974928	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+K+HCOOH"	84.968628
"1429478"	417.006438	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+H+CF3COOH"	115.000138
"1160857"	213.550251	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+3ACN+2H"	125.094202
"1710771"	434.032985	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+NH4+CF3COOH"	132.026685
"1646425"	438.98838	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+Na+CF3COOH"	136.98208
"1586448"	454.96232	"C10788"	"Ellagic acid"	"C14H6O8"	"302.0063"	"M+K+CF3COOH"	152.95602
"813533"	244.1576	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M"	0
"977223"	225.13921	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-H2O-H"	-19.01839
"66558"	161.764457333333	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M-3H"	-3.021828
"508309"	243.150324	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M-3H"	-3.021828
"882827"	80.3785906666667	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-3H"	-3.021828
"1402"	243.150324	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M-2H"	-2.014552
"451907"	365.229124	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M-2H"	-2.014552
"832385"	121.071524	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-2H"	-2.014552
"92500"	487.307924	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M-H"	-1.007276
"532667"	731.465524	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M-H"	-1.007276
"908158"	243.150324	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-H"	-1.007276
"62221"	504.334471	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M-2H+NH4"	16.019271
"501494"	748.492071	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M-2H+NH4"	16.019271
"878324"	260.176871	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-2H+NH4"	16.019271
"45496"	509.289866	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M-2H+Na"	20.974666
"481896"	753.447466	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M-2H+Na"	20.974666
"858238"	265.132266	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-2H+Na"	20.974666
"1628137"	265.132266	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Na-2H"	20.974666
"102477"	261.138663	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M-H+Cl"	33.962126
"542038"	383.217463	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M-H+Cl"	33.962126
"940657"	139.059863	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-H+Cl"	33.962126
"279575"	523.284602	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+Cl"	34.969402
"670903"	767.442202	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+Cl"	34.969402
"1284405"	279.127002	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Cl"	34.969402
"28056"	525.263806	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M-2H+K"	36.948606
"471337"	769.421406	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M-2H+K"	36.948606
"841038"	281.106206	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-2H+K"	36.948606
"1564529"	281.106206	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+K-2H"	36.948606
"954599"	289.155794	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-H+HCOOH"	44.998194
"372815"	533.313401	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+HCOOH-H"	44.998201
"352324"	547.329051	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+Hac-H"	59.013851
"1501155"	303.171451	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Hac-H"	59.013851
"972707"	311.137751	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-H+NaCOOH"	66.980151
"119792"	279.127002	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+2Cl"	69.938804
"562632"	401.205802	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+2Cl"	69.938804
"1032525"	157.048202	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2Cl"	69.938804
"1248824"	323.076485	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Br"	78.918885
"1312364"	325.132472	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Cl+HCOOH"	80.974872
"1328767"	347.114429	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Cl+NaCOOH"	102.956829
"912901"	357.143186	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M-H+CF3COOH"	112.985586
"1292165"	393.119864	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Cl+CF3COOH"	148.962264
"1370326"	209.144924	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H-2H2O"	-35.012676
"1396575"	227.1549	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H-H2O"	-17.0027
"297842"	489.322476	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+H"	1.007276
"685404"	733.480076	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+H"	1.007276
"1361752"	245.164876	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H"	1.007276
"133548"	245.164876	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+2H"	2.014552
"574201"	367.243676	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+2H"	2.014552
"1051024"	123.086076	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2H"	2.014552
"214183"	163.779009333333	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+3H"	3.021828
"659220"	245.164876	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+3H"	3.021828
"1174057"	82.3931426666667	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+3H"	3.021828
"438674"	506.349023	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+NH4"	18.033823
"800277"	750.506623	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+NH4"	18.033823
"1696360"	262.191423	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+NH4"	18.033823
"340746"	253.6781495	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+H+NH4"	19.041099
"733170"	375.7569495	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+H+NH4"	19.041099
"1484804"	131.5993495	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H+NH4"	19.041099
"399107"	511.304418	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+Na"	22.989218
"757917"	755.462018	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+Na"	22.989218
"1616836"	267.146818	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Na"	22.989218
"322614"	256.155847	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+H+Na"	23.996494
"721598"	378.234647	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+H+Na"	23.996494
"1473962"	134.077047	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H+Na"	23.996494
"1062103"	89.7204566666667	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2H+Na"	25.00377
"1270341"	277.191086	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+CH3OH+H"	33.033486
"384541"	527.278358	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+K"	38.963158
"748817"	771.435958	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+K"	38.963158
"1547587"	283.120758	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+K"	38.963158
"303671"	264.142817	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+H+K"	39.970434
"695000"	386.221617	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+H+K"	39.970434
"1447726"	142.064017	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H+K"	39.970434
"236692"	530.349026	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+ACN+H"	42.033826
"1210005"	286.191426	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+ACN+H"	42.033826
"1197300"	143.599351	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+ACN+2H"	43.041102
"191263"	533.28636	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+2Na-H"	44.97116
"630824"	777.44396	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+2Na-H"	44.97116
"1135434"	289.12876	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2Na-H"	44.97116
"176170"	267.146818	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+2Na"	45.978436
"615731"	389.225618	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+2Na"	45.978436
"1120335"	145.068018	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2Na"	45.978436
"1402398"	97.0477706666667	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H+2Na"	46.985712
"1432689"	291.170346	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H+HCOOH"	47.012746
"227133"	272.17984	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+3H2O+2H"	56.04448
"1516291"	305.22239	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+IsoProp+H"	61.06479
"413789"	275.133788	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+Na+K"	61.952376
"772600"	397.212588	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+Na+K"	61.952376
"1668932"	153.054988	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Na+K"	61.952376
"258733"	552.330968	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+ACN+Na"	64.015768
"1236547"	308.173368	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+ACN+Na"	64.015768
"1725312"	308.196893	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+NH4+HCOOH"	64.039293
"1192124"	104.375084666667	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+3Na"	68.967654
"1661047"	313.152288	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Na+HCOOH"	68.994688
"170093"	565.23424	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+2K-H"	76.91904
"608563"	809.39184	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+2K-H"	76.91904
"1094169"	321.07664	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2K-H"	76.91904
"155239"	283.120758	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"2M+2K"	77.926316
"595650"	405.199558	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"3M+2K"	77.926316
"1081616"	161.041958	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2K"	77.926316
"1114829"	323.091192	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2K+H"	78.933592
"1349026"	323.178807	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+DMSO+H"	79.021207
"1019743"	327.217976	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2ACN+H"	83.060376
"1535681"	328.211608	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+IsoProp+Na+H"	84.054008
"1002127"	164.112626	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+2ACN+2H"	84.067652
"1593352"	329.126228	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+K+HCOOH"	84.968628
"1420105"	359.157738	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+H+CF3COOH"	115.000138
"1156956"	184.625901	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+3ACN+2H"	125.094202
"1704320"	376.184285	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+NH4+CF3COOH"	132.026685
"1639973"	381.13968	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+Na+CF3COOH"	136.98208
"1586558"	397.11362	"C10789"	"Thermospine;(-)-Thermopsine"	"C15H20N2O"	"244.1576"	"M+K+CF3COOH"	152.95602
"807082"	244.1576	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M"	0
"974780"	225.13921	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-H2O-H"	-19.01839
"63753"	161.764457333333	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M-3H"	-3.021828
"503558"	243.150324	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M-3H"	-3.021828
"880135"	80.3785906666667	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-3H"	-3.021828
"294"	243.150324	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M-2H"	-2.014552
"452017"	365.229124	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M-2H"	-2.014552
"831401"	121.071524	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-2H"	-2.014552
"92610"	487.307924	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M-H"	-1.007276
"530466"	731.465524	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M-H"	-1.007276
"907904"	243.150324	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-H"	-1.007276
"60105"	504.334471	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M-2H+NH4"	16.019271
"500638"	748.492071	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M-2H+NH4"	16.019271
"878555"	260.176871	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-2H+NH4"	16.019271
"45727"	509.289866	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M-2H+Na"	20.974666
"482006"	753.447466	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M-2H+Na"	20.974666
"857620"	265.132266	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-2H+Na"	20.974666
"1628248"	265.132266	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Na-2H"	20.974666
"102587"	261.138663	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M-H+Cl"	33.962126
"546523"	383.217463	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M-H+Cl"	33.962126
"938942"	139.059863	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-H+Cl"	33.962126
"276405"	523.284602	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+Cl"	34.969402
"669919"	767.442202	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+Cl"	34.969402
"1285607"	279.127002	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Cl"	34.969402
"28897"	525.263806	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M-2H+K"	36.948606
"468820"	769.421406	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M-2H+K"	36.948606
"841153"	281.106206	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-2H+K"	36.948606
"1563546"	281.106206	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+K-2H"	36.948606
"953617"	289.155794	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-H+HCOOH"	44.998194
"369645"	533.313401	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+HCOOH-H"	44.998201
"357902"	547.329051	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+Hac-H"	59.013851
"1502360"	303.171451	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Hac-H"	59.013851
"966621"	311.137751	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-H+NaCOOH"	66.980151
"114436"	279.127002	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+2Cl"	69.938804
"558369"	401.205802	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+2Cl"	69.938804
"1026076"	157.048202	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2Cl"	69.938804
"1244196"	323.076485	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Br"	78.918885
"1312475"	325.132472	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Cl+HCOOH"	80.974872
"1325597"	347.114429	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Cl+NaCOOH"	102.956829
"911628"	357.143186	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M-H+CF3COOH"	112.985586
"1292275"	393.119864	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Cl+CF3COOH"	148.962264
"1368491"	209.144924	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H-2H2O"	-35.012676
"1393405"	227.1549	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H-H2O"	-17.0027
"288718"	489.322476	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+H"	1.007276
"690620"	733.480076	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+H"	1.007276
"1361863"	245.164876	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H"	1.007276
"129284"	245.164876	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+2H"	2.014552
"571029"	367.243676	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+2H"	2.014552
"1051138"	123.086076	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2H"	2.014552
"211377"	163.779009333333	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+3H"	3.021828
"657142"	245.164876	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+3H"	3.021828
"1177699"	82.3931426666667	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+3H"	3.021828
"439590"	506.349023	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+NH4"	18.033823
"800949"	750.506623	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+NH4"	18.033823
"1695133"	262.191423	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+NH4"	18.033823
"340856"	253.6781495	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+H+NH4"	19.041099
"735467"	375.7569495	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+H+NH4"	19.041099
"1482727"	131.5993495	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H+NH4"	19.041099
"396302"	511.304418	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+Na"	22.989218
"758027"	755.462018	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+Na"	22.989218
"1617308"	267.146818	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Na"	22.989218
"321631"	256.155847	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+H+Na"	23.996494
"721707"	378.234647	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+H+Na"	23.996494
"1475531"	134.077047	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H+Na"	23.996494
"1062213"	89.7204566666667	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2H+Na"	25.00377
"1272396"	277.191086	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+CH3OH+H"	33.033486
"382464"	527.278358	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+K"	38.963158
"745646"	771.435958	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+K"	38.963158
"1550980"	283.120758	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+K"	38.963158
"304875"	264.142817	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+H+K"	39.970434
"699483"	386.221617	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+H+K"	39.970434
"1451116"	142.064017	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H+K"	39.970434
"236195"	530.349026	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+ACN+H"	42.033826
"1210604"	286.191426	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+ACN+H"	42.033826
"1194857"	143.599351	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+ACN+2H"	43.041102
"189187"	533.28636	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+2Na-H"	44.97116
"631300"	777.44396	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+2Na-H"	44.97116
"1135544"	289.12876	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2Na-H"	44.97116
"176280"	267.146818	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+2Na"	45.978436
"615841"	389.225618	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+2Na"	45.978436
"1121904"	145.068018	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2Na"	45.978436
"1400684"	97.0477706666667	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H+2Na"	46.985712
"1432801"	291.170346	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H+HCOOH"	47.012746
"223959"	272.17984	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+3H2O+2H"	56.04448
"1517494"	305.22239	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+IsoProp+H"	61.06479
"416089"	275.133788	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+Na+K"	61.952376
"773802"	397.212588	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+Na+K"	61.952376
"1672320"	153.054988	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Na+K"	61.952376
"254096"	552.330968	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+ACN+Na"	64.015768
"1239211"	308.173368	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+ACN+Na"	64.015768
"1725544"	308.196893	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+NH4+HCOOH"	64.039293
"1190173"	104.375084666667	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+3Na"	68.967654
"1662252"	313.152288	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Na+HCOOH"	68.994688
"171909"	565.23424	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+2K-H"	76.91904
"611351"	809.39184	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+2K-H"	76.91904
"1099393"	321.07664	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2K-H"	76.91904
"155471"	283.120758	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"2M+2K"	77.926316
"596251"	405.199558	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"3M+2K"	77.926316
"1083433"	161.041958	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2K"	77.926316
"1114817"	323.091192	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2K+H"	78.933592
"1349137"	323.178807	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+DMSO+H"	79.021207
"1017667"	327.217976	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2ACN+H"	83.060376
"1536887"	328.211608	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+IsoProp+Na+H"	84.054008
"998958"	164.112626	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+2ACN+2H"	84.067652
"1600755"	329.126228	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+K+HCOOH"	84.968628
"1425684"	359.157738	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+H+CF3COOH"	115.000138
"1161200"	184.625901	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+3ACN+2H"	125.094202
"1709898"	376.184285	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+NH4+CF3COOH"	132.026685
"1648103"	381.13968	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+Na+CF3COOH"	136.98208
"1586668"	397.11362	"C10790"	"Tinctorine"	"C15H20N2O"	"244.1576"	"M+K+CF3COOH"	152.95602
"807192"	244.1576	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M"	0
"980723"	225.13921	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-H2O-H"	-19.01839
"65684"	161.764457333333	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M-3H"	-3.021828
"506336"	243.150324	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M-3H"	-3.021828
"883045"	80.3785906666667	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-3H"	-3.021828
"1011"	243.150324	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M-2H"	-2.014552
"452127"	365.229124	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M-2H"	-2.014552
"831633"	121.071524	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-2H"	-2.014552
"94180"	487.307924	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M-H"	-1.007276
"533373"	731.465524	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M-H"	-1.007276
"899630"	243.150324	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-H"	-1.007276
"61548"	504.334471	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M-2H+NH4"	16.019271
"501113"	748.492071	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M-2H+NH4"	16.019271
"879033"	260.176871	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-2H+NH4"	16.019271
"46082"	509.289866	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M-2H+Na"	20.974666
"486005"	753.447466	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M-2H+Na"	20.974666
"861740"	265.132266	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-2H+Na"	20.974666
"1630547"	265.132266	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Na-2H"	20.974666
"108166"	261.138663	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M-H+Cl"	33.962126
"547725"	383.217463	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M-H+Cl"	33.962126
"941244"	139.059863	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-H+Cl"	33.962126
"277608"	523.284602	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+Cl"	34.969402
"674165"	767.442202	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+Cl"	34.969402
"1286445"	279.127002	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Cl"	34.969402
"29613"	525.263806	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M-2H+K"	36.948606
"468566"	769.421406	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M-2H+K"	36.948606
"842356"	281.106206	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-2H+K"	36.948606
"1564749"	281.106206	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+K-2H"	36.948606
"955914"	289.155794	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-H+HCOOH"	44.998194
"371942"	533.313401	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+HCOOH-H"	44.998201
"360686"	547.329051	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+Hac-H"	59.013851
"1508062"	303.171451	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Hac-H"	59.013851
"967826"	311.137751	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-H+NaCOOH"	66.980151
"116734"	279.127002	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+2Cl"	69.938804
"558480"	401.205802	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+2Cl"	69.938804
"1028373"	157.048202	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2Cl"	69.938804
"1245765"	323.076485	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Br"	78.918885
"1313679"	325.132472	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Cl+HCOOH"	80.974872
"1325707"	347.114429	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Cl+NaCOOH"	102.956829
"912141"	357.143186	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M-H+CF3COOH"	112.985586
"1292385"	393.119864	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Cl+CF3COOH"	148.962264
"1371640"	209.144924	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H-2H2O"	-35.012676
"1397772"	227.1549	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H-H2O"	-17.0027
"298495"	489.322476	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+H"	1.007276
"690693"	733.480076	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+H"	1.007276
"1365254"	245.164876	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H"	1.007276
"130852"	245.164876	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+2H"	2.014552
"573326"	367.243676	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+2H"	2.014552
"1051248"	123.086076	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2H"	2.014552
"214403"	163.779009333333	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+3H"	3.021828
"657981"	245.164876	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+3H"	3.021828
"1177322"	82.3931426666667	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+3H"	3.021828
"439255"	506.349023	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+NH4"	18.033823
"800858"	750.506623	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+NH4"	18.033823
"1694515"	262.191423	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+NH4"	18.033823
"342060"	253.6781495	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+H+NH4"	19.041099
"734485"	375.7569495	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+H+NH4"	19.041099
"1488670"	131.5993495	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H+NH4"	19.041099
"399330"	511.304418	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+Na"	22.989218
"757044"	755.462018	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+Na"	22.989218
"1616446"	267.146818	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Na"	22.989218
"327574"	256.155847	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+H+Na"	23.996494
"715256"	378.234647	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+H+Na"	23.996494
"1474916"	134.077047	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H+Na"	23.996494
"1062324"	89.7204566666667	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2H+Na"	25.00377
"1266188"	277.191086	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+CH3OH+H"	33.033486
"382574"	527.278358	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+K"	38.963158
"743569"	771.435958	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+K"	38.963158
"1547808"	283.120758	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+K"	38.963158
"306078"	264.142817	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+H+K"	39.970434
"696314"	386.221617	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+H+K"	39.970434
"1450133"	142.064017	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H+K"	39.970434
"236548"	530.349026	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+ACN+H"	42.033826
"1210023"	286.191426	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+ACN+H"	42.033826
"1195085"	143.599351	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+ACN+2H"	43.041102
"189904"	533.28636	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+2Na-H"	44.97116
"629829"	777.44396	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+2Na-H"	44.97116
"1133457"	289.12876	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2Na-H"	44.97116
"184408"	267.146818	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+2Na"	45.978436
"617771"	389.225618	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+2Na"	45.978436
"1124199"	145.068018	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2Na"	45.978436
"1404442"	97.0477706666667	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H+2Na"	46.985712
"1438744"	291.170346	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H+HCOOH"	47.012746
"223702"	272.17984	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+3H2O+2H"	56.04448
"1518697"	305.22239	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+IsoProp+H"	61.06479
"414009"	275.133788	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+Na+K"	61.952376
"771724"	397.212588	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+Na+K"	61.952376
"1672430"	153.054988	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Na+K"	61.952376
"254572"	552.330968	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+ACN+Na"	64.015768
"1237133"	308.173368	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+ACN+Na"	64.015768
"1725654"	308.196893	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+NH4+HCOOH"	64.039293
"1192468"	104.375084666667	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+3Na"	68.967654
"1662363"	313.152288	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Na+HCOOH"	68.994688
"169224"	565.23424	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+2K-H"	76.91904
"611825"	809.39184	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+2K-H"	76.91904
"1099256"	321.07664	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2K-H"	76.91904
"153394"	283.120758	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"2M+2K"	77.926316
"596360"	405.199558	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"3M+2K"	77.926316
"1080747"	161.041958	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2K"	77.926316
"1114810"	323.091192	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2K+H"	78.933592
"1349247"	323.178807	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+DMSO+H"	79.021207
"1016683"	327.217976	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2ACN+H"	83.060376
"1538090"	328.211608	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+IsoProp+Na+H"	84.054008
"999069"	164.112626	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+2ACN+2H"	84.067652
"1601108"	329.126228	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+K+HCOOH"	84.968628
"1424700"	359.157738	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+H+CF3COOH"	115.000138
"1158269"	184.625901	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+3ACN+2H"	125.094202
"1707821"	376.184285	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+NH4+CF3COOH"	132.026685
"1647848"	381.13968	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+Na+CF3COOH"	136.98208
"1583498"	397.11362	"C10791"	"Tsukushinamine A"	"C15H20N2O"	"244.1576"	"M+K+CF3COOH"	152.95602
"810582"	140.0473	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M"	0
"980834"	121.02891	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H2O-H"	-19.01839
"65429"	92.3575906666667	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-3H"	-3.021828
"506082"	139.040024	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-3H"	-3.021828
"882425"	45.6751573333333	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-3H"	-3.021828
"1486"	139.040024	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H"	-2.014552
"454424"	209.063674	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H"	-2.014552
"832438"	69.016374	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H"	-2.014552
"93600"	279.087324	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-H"	-1.007276
"534054"	419.134624	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-H"	-1.007276
"906300"	139.040024	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H"	-1.007276
"62145"	296.113871	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H+NH4"	16.019271
"501708"	436.161171	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H+NH4"	16.019271
"879628"	156.066571	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H+NH4"	16.019271
"45827"	301.069266	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H+Na"	20.974666
"486360"	441.116566	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H+Na"	20.974666
"863430"	161.021966	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H+Na"	20.974666
"1633980"	161.021966	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na-2H"	20.974666
"109828"	157.028363	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-H+Cl"	33.962126
"548687"	227.052013	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-H+Cl"	33.962126
"942692"	87.004713	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+Cl"	33.962126
"281971"	315.064002	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Cl"	34.969402
"675126"	455.111302	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+Cl"	34.969402
"1286920"	175.016702	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl"	34.969402
"30574"	317.043206	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H+K"	36.948606
"469770"	457.090506	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H+K"	36.948606
"845749"	176.995906	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H+K"	36.948606
"1568141"	176.995906	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K-2H"	36.948606
"956025"	185.045494	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+HCOOH"	44.998194
"376835"	325.092801	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+HCOOH-H"	44.998201
"360840"	339.108451	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Hac-H"	59.013851
"1507931"	199.061151	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Hac-H"	59.013851
"972310"	207.027451	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+NaCOOH"	66.980151
"116845"	175.016702	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2Cl"	69.938804
"560776"	245.040352	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2Cl"	69.938804
"1033950"	104.993052	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2Cl"	69.938804
"1249155"	218.966185	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Br"	78.918885
"1317069"	221.022172	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl+HCOOH"	80.974872
"1330190"	243.004129	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl+NaCOOH"	102.956829
"913231"	253.032886	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+CF3COOH"	112.985586
"1292495"	289.009564	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl+CF3COOH"	148.962264
"1371750"	105.034624	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H-2H2O"	-35.012676
"1396906"	123.0446	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H-H2O"	-17.0027
"298348"	281.101876	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H"	1.007276
"690115"	421.149176	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H"	1.007276
"1365370"	141.054576	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H"	1.007276
"134972"	141.054576	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2H"	2.014552
"576719"	211.078226	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2H"	2.014552
"1049893"	71.030926	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2H"	2.014552
"217793"	94.3721426666667	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+3H"	3.021828
"658821"	141.054576	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+3H"	3.021828
"1178164"	47.6897093333333	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+3H"	3.021828
"439607"	298.128423	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+NH4"	18.033823
"801051"	438.175723	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+NH4"	18.033823
"1696774"	158.081123	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+NH4"	18.033823
"342901"	149.5678495	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H+NH4"	19.041099
"734592"	219.5914995	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H+NH4"	19.041099
"1482947"	79.5441995	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+NH4"	19.041099
"402720"	303.083818	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Na"	22.989218
"755332"	443.131118	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+Na"	22.989218
"1615460"	163.036518	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na"	22.989218
"325132"	152.045547	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H+Na"	23.996494
"713179"	222.069197	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H+Na"	23.996494
"1475390"	82.021897	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+Na"	23.996494
"1064621"	55.0170233333333	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2H+Na"	25.00377
"1270308"	173.080786	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+CH3OH+H"	33.033486
"384872"	319.057758	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+K"	38.963158
"742586"	459.105058	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+K"	38.963158
"1546825"	179.010458	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K"	38.963158
"307281"	160.032517	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H+K"	39.970434
"695695"	230.056167	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H+K"	39.970434
"1449150"	90.008867	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+K"	39.970434
"238114"	322.128426	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+ACN+H"	42.033826
"1210459"	182.081126	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+ACN+H"	42.033826
"1195320"	91.544201	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+ACN+2H"	43.041102
"189286"	325.06576	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2Na-H"	44.97116
"630789"	465.11306	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2Na-H"	44.97116
"1132350"	185.01846	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2Na-H"	44.97116
"177227"	163.036518	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2Na"	45.978436
"615694"	233.060168	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2Na"	45.978436
"1124309"	93.012868	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2Na"	45.978436
"1404552"	62.3443373333333	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+2Na"	46.985712
"1437761"	187.060046	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+HCOOH"	47.012746
"222718"	168.06954	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+3H2O+2H"	56.04448
"1518807"	201.11209	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+IsoProp+H"	61.06479
"419587"	171.023488	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Na+K"	61.952376
"779489"	241.047138	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+Na+K"	61.952376
"1672540"	100.999838	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na+K"	61.952376
"253586"	344.110368	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+ACN+Na"	64.015768
"1239795"	204.063068	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+ACN+Na"	64.015768
"1727589"	204.086593	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+NH4+HCOOH"	64.039293
"1192945"	69.6716513333333	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+3Na"	68.967654
"1663566"	209.041988	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na+HCOOH"	68.994688
"171401"	357.01364	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2K-H"	76.91904
"611207"	497.06094	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2K-H"	76.91904
"1098759"	216.96634	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2K-H"	76.91904
"153504"	179.010458	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2K"	77.926316
"594158"	249.034108	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2K"	77.926316
"1084108"	108.986808	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2K"	77.926316
"1114673"	218.980892	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2K+H"	78.933592
"1350455"	219.068507	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+DMSO+H"	79.021207
"1017887"	223.107676	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2ACN+H"	83.060376
"1536014"	224.101308	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+IsoProp+Na+H"	84.054008
"1001366"	112.057476	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2ACN+2H"	84.067652
"1602439"	225.015928	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K+HCOOH"	84.968628
"1428092"	255.047438	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+CF3COOH"	115.000138
"1157286"	132.570751	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+3ACN+2H"	125.094202
"1710118"	272.073985	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+NH4+CF3COOH"	132.026685
"1648687"	277.02938	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na+CF3COOH"	136.98208
"1583608"	293.00332	"C10792"	"Gentisyl alcohol;25-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K+CF3COOH"	152.95602
"810692"	246.162	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M"	0
"980944"	227.14361	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-H2O-H"	-19.01839
"63024"	163.100724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M-3H"	-3.021828
"502821"	245.154724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M-3H"	-3.021828
"880712"	81.046724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-3H"	-3.021828
"70"	245.154724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M-2H"	-2.014552
"451254"	368.235724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M-2H"	-2.014552
"832099"	122.073724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-2H"	-2.014552
"92329"	491.316724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M-H"	-1.007276
"527514"	737.478724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M-H"	-1.007276
"903130"	245.154724	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-H"	-1.007276
"62497"	508.343271	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M-2H+NH4"	16.019271
"502266"	754.505271	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M-2H+NH4"	16.019271
"879660"	262.181271	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-2H+NH4"	16.019271
"46829"	513.298666	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M-2H+Na"	20.974666
"486022"	759.460666	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M-2H+Na"	20.974666
"864121"	267.136666	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-2H+Na"	20.974666
"1634055"	267.136666	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Na-2H"	20.974666
"109962"	263.143063	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M-H+Cl"	33.962126
"549905"	386.224063	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M-H+Cl"	33.962126
"941460"	140.062063	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-H+Cl"	33.962126
"278921"	527.293402	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+Cl"	34.969402
"675152"	773.455402	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+Cl"	34.969402
"1285936"	281.131402	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Cl"	34.969402
"31050"	529.272606	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M-2H+K"	36.948606
"470975"	775.434606	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M-2H+K"	36.948606
"845130"	283.110606	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-2H+K"	36.948606
"1568618"	283.110606	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+K-2H"	36.948606
"956865"	291.160194	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-H+HCOOH"	44.998194
"376826"	537.322201	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+HCOOH-H"	44.998201
"358964"	551.337851	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+Hac-H"	59.013851
"1507799"	305.175851	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Hac-H"	59.013851
"969139"	313.142151	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-H+NaCOOH"	66.980151
"123516"	281.131402	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+2Cl"	69.938804
"560887"	404.212402	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+2Cl"	69.938804
"1036248"	158.050402	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2Cl"	69.938804
"1251452"	325.080885	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Br"	78.918885
"1316086"	327.136872	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Cl+HCOOH"	80.974872
"1329207"	349.118829	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Cl+NaCOOH"	102.956829
"912977"	359.147586	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M-H+CF3COOH"	112.985586
"1295885"	395.124264	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Cl+CF3COOH"	148.962264
"1371860"	211.149324	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H-2H2O"	-35.012676
"1396288"	229.1593	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H-H2O"	-17.0027
"298167"	493.331276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+H"	1.007276
"689124"	739.493276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+H"	1.007276
"1365109"	247.169276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H"	1.007276
"137270"	247.169276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+2H"	2.014552
"580109"	370.250276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+2H"	2.014552
"1051464"	124.088276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2H"	2.014552
"217903"	165.115276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+3H"	3.021828
"658566"	247.169276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+3H"	3.021828
"1176937"	83.061276	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+3H"	3.021828
"438995"	510.357823	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+NH4"	18.033823
"799864"	756.519823	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+NH4"	18.033823
"1695098"	264.195823	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+NH4"	18.033823
"340096"	255.6825495	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+H+NH4"	19.041099
"732519"	378.7635495	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+H+NH4"	19.041099
"1483058"	132.6015495	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H+NH4"	19.041099
"396270"	515.313218	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+Na"	22.989218
"768204"	761.475218	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+Na"	22.989218
"1608644"	269.151218	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Na"	22.989218
"323055"	258.160247	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+H+Na"	23.996494
"720824"	381.241247	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+H+Na"	23.996494
"1474765"	135.079247	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H+Na"	23.996494
"1066188"	90.38859	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2H+Na"	25.00377
"1262034"	279.195486	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+CH3OH+H"	33.033486
"382796"	531.287158	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+K"	38.963158
"741238"	777.449158	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+K"	38.963158
"1540738"	285.125158	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+K"	38.963158
"298710"	266.147217	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+H+K"	39.970434
"692037"	389.228217	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+H+K"	39.970434
"1445814"	143.066217	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H+K"	39.970434
"235785"	534.357826	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+ACN+H"	42.033826
"1210082"	288.195826	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+ACN+H"	42.033826
"1194824"	144.601551	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+ACN+2H"	43.041102
"188557"	537.29516	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+2Na-H"	44.97116
"628792"	783.45716	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+2Na-H"	44.97116
"1133315"	291.13316	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2Na-H"	44.97116
"178066"	269.151218	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+2Na"	45.978436
"615804"	392.232218	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+2Na"	45.978436
"1124419"	146.070218	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2Na"	45.978436
"1401017"	97.715904	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H+2Na"	46.985712
"1437871"	293.174746	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H+HCOOH"	47.012746
"222829"	274.18424	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+3H2O+2H"	56.04448
"1515633"	307.22679	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+IsoProp+H"	61.06479
"413133"	277.138188	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+Na+K"	61.952376
"778506"	400.219188	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+Na+K"	61.952376
"1670829"	154.057188	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Na+K"	61.952376
"252610"	556.339768	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+ACN+Na"	64.015768
"1240638"	310.177768	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+ACN+Na"	64.015768
"1727825"	310.201293	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+NH4+HCOOH"	64.039293
"1193545"	105.043218	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+3Na"	68.967654
"1664528"	315.156688	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Na+HCOOH"	68.994688
"172691"	569.24304	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+2K-H"	76.91904
"612577"	815.40504	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+2K-H"	76.91904
"1099886"	323.08104	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2K-H"	76.91904
"156289"	285.125158	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"2M+2K"	77.926316
"594268"	408.206158	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"3M+2K"	77.926316
"1083894"	162.044158	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2K"	77.926316
"1115320"	325.095592	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2K+H"	78.933592
"1351219"	325.183207	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+DMSO+H"	79.021207
"1021045"	329.222376	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2ACN+H"	83.060376
"1539529"	330.216008	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+IsoProp+Na+H"	84.054008
"1004882"	165.114826	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+2ACN+2H"	84.067652
"1602508"	331.130628	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+K+HCOOH"	84.968628
"1429298"	361.162138	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+H+CF3COOH"	115.000138
"1161771"	185.628101	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+3ACN+2H"	125.094202
"1710228"	378.188685	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+NH4+CF3COOH"	132.026685
"1648797"	383.14408	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+Na+CF3COOH"	136.98208
"1583718"	399.11802	"C10793"	"Geranylhydroquinone"	"C16H22O2"	"246.162"	"M+K+CF3COOH"	152.95602
"810802"	346.2508	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M"	0
"981054"	327.23241	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-H2O-H"	-19.01839
"63581"	229.826590666667	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M-3H"	-3.021828
"507761"	345.243524	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M-3H"	-3.021828
"881551"	114.409657333333	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-3H"	-3.021828
"2313"	345.243524	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M-2H"	-2.014552
"445896"	518.368924	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M-2H"	-2.014552
"831719"	172.118124	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-2H"	-2.014552
"84783"	691.494324	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M-H"	-1.007276
"522155"	1037.745124	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M-H"	-1.007276
"905427"	345.243524	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-H"	-1.007276
"60661"	708.520871	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M-2H+NH4"	16.019271
"501799"	1054.771671	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M-2H+NH4"	16.019271
"870610"	362.270071	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-2H+NH4"	16.019271
"46165"	713.476266	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M-2H+Na"	20.974666
"485361"	1059.727066	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M-2H+Na"	20.974666
"862069"	367.225466	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-2H+Na"	20.974666
"1633062"	367.225466	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Na-2H"	20.974666
"107403"	363.231863	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M-H+Cl"	33.962126
"546598"	536.357263	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M-H+Cl"	33.962126
"938288"	190.106463	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-H+Cl"	33.962126
"272471"	727.471002	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+Cl"	34.969402
"669266"	1073.721802	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+Cl"	34.969402
"1284952"	381.220202	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Cl"	34.969402
"30065"	729.450206	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M-2H+K"	36.948606
"470354"	1075.701006	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M-2H+K"	36.948606
"845968"	383.199406	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-2H+K"	36.948606
"1565080"	383.199406	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+K-2H"	36.948606
"955151"	391.248994	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-H+HCOOH"	44.998194
"375192"	737.499801	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+HCOOH-H"	44.998201
"360414"	751.515451	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+Hac-H"	59.013851
"1506813"	405.264651	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Hac-H"	59.013851
"972530"	413.230951	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-H+NaCOOH"	66.980151
"123989"	381.220202	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+2Cl"	69.938804
"554437"	554.345602	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+2Cl"	69.938804
"1028703"	208.094802	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2Cl"	69.938804
"1247188"	425.169685	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Br"	78.918885
"1316195"	427.225672	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Cl+HCOOH"	80.974872
"1327130"	449.207629	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Cl+NaCOOH"	102.956829
"912357"	459.236386	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M-H+CF3COOH"	112.985586
"1291621"	495.213064	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Cl+CF3COOH"	148.962264
"1367717"	311.238124	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H-2H2O"	-35.012676
"1396762"	329.2481	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H-H2O"	-17.0027
"297184"	693.508876	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+H"	1.007276
"688870"	1039.759676	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+H"	1.007276
"1365219"	347.258076	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H"	1.007276
"134100"	347.258076	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+2H"	2.014552
"578032"	520.383476	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+2H"	2.014552
"1046833"	174.132676	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2H"	2.014552
"218013"	231.841142666667	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+3H"	3.021828
"658678"	347.258076	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+3H"	3.021828
"1177287"	116.424209333333	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+3H"	3.021828
"435697"	710.535423	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+NH4"	18.033823
"796693"	1056.786223	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+NH4"	18.033823
"1694115"	364.284623	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+NH4"	18.033823
"336925"	355.7713495	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+H+NH4"	19.041099
"729348"	528.8967495	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+H+NH4"	19.041099
"1483168"	182.6459495	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H+NH4"	19.041099
"396380"	715.490818	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+Na"	22.989218
"761750"	1061.741618	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+Na"	22.989218
"1607661"	369.240018	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Na"	22.989218
"323165"	358.249047	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+H+Na"	23.996494
"713399"	531.374447	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+H+Na"	23.996494
"1468314"	185.123647	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H+Na"	23.996494
"1058279"	123.751523333333	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2H+Na"	25.00377
"1258861"	379.284286	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+CH3OH+H"	33.033486
"378653"	731.464758	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+K"	38.963158
"738915"	1077.715558	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+K"	38.963158
"1540157"	385.213958	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+K"	38.963158
"298651"	366.236017	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+H+K"	39.970434
"691489"	539.361417	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+H+K"	39.970434
"1446083"	193.110617	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H+K"	39.970434
"236140"	734.535426	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+ACN+H"	42.033826
"1210224"	388.284626	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+ACN+H"	42.033826
"1195298"	194.645951	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+ACN+2H"	43.041102
"189627"	737.47276	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+2Na-H"	44.97116
"629914"	1083.72356	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+2Na-H"	44.97116
"1133421"	391.22196	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2Na-H"	44.97116
"179269"	369.240018	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+2Na"	45.978436
"617735"	542.365418	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+2Na"	45.978436
"1121249"	196.114618	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2Na"	45.978436
"1399664"	131.078837333333	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H+2Na"	46.985712
"1432143"	393.263546	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H+HCOOH"	47.012746
"221114"	374.27304	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+3H2O+2H"	56.04448
"1513557"	407.31559	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+IsoProp+H"	61.06479
"410327"	377.226988	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+Na+K"	61.952376
"773149"	550.352388	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+Na+K"	61.952376
"1667659"	204.101588	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Na+K"	61.952376
"252112"	756.517368	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+ACN+Na"	64.015768
"1226516"	410.266568	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+ACN+Na"	64.015768
"1727854"	410.290093	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+NH4+HCOOH"	64.039293
"1192437"	138.406151333333	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+3Na"	68.967654
"1664759"	415.245488	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Na+HCOOH"	68.994688
"172352"	769.42064	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+2K-H"	76.91904
"612481"	1115.67144	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+2K-H"	76.91904
"1099753"	423.16984	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2K-H"	76.91904
"156519"	385.213958	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"2M+2K"	77.926316
"594378"	558.339358	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"3M+2K"	77.926316
"1084126"	212.088558	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2K"	77.926316
"1115222"	425.184392	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2K+H"	78.933592
"1351194"	425.272007	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+DMSO+H"	79.021207
"1020663"	429.311176	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2ACN+H"	83.060376
"1538789"	430.304808	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+IsoProp+Na+H"	84.054008
"1003775"	215.159226	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+2ACN+2H"	84.067652
"1601806"	431.219428	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+K+HCOOH"	84.968628
"1429530"	461.250938	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+H+CF3COOH"	115.000138
"1160787"	235.672501	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+3ACN+2H"	125.094202
"1707058"	478.277485	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+NH4+CF3COOH"	132.026685
"1648907"	483.23288	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+Na+CF3COOH"	136.98208
"1583828"	499.20682	"C10794"	"Ginkgoic acid;Ginkgolic acid"	"C22H34O3"	"346.2508"	"M+K+CF3COOH"	152.95602
"807632"	384.3504	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M"	0
"981164"	365.33201	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-H2O-H"	-19.01839
"63572"	255.226324	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M-3H"	-3.021828
"504590"	383.343124	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M-3H"	-3.021828
"880932"	127.109524	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-3H"	-3.021828
"842"	383.343124	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M-2H"	-2.014552
"450381"	575.518324	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M-2H"	-2.014552
"831467"	191.167924	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-2H"	-2.014552
"83800"	767.693524	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M-H"	-1.007276
"522264"	1152.043924	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M-H"	-1.007276
"905537"	383.343124	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-H"	-1.007276
"60285"	784.720071	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M-2H+NH4"	16.019271
"500085"	1169.070471	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M-2H+NH4"	16.019271
"869627"	400.369671	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-2H+NH4"	16.019271
"46033"	789.675466	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M-2H+Na"	20.974666
"485471"	1174.025866	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M-2H+Na"	20.974666
"864112"	405.325066	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-2H+Na"	20.974666
"1632079"	405.325066	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Na-2H"	20.974666
"108485"	401.331463	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M-H+Cl"	33.962126
"549626"	593.506663	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M-H+Cl"	33.962126
"938399"	209.156263	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-H+Cl"	33.962126
"270393"	803.670202	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+Cl"	34.969402
"662815"	1188.020602	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+Cl"	34.969402
"1285795"	419.319802	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Cl"	34.969402
"30786"	805.649406	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M-2H+K"	36.948606
"469374"	1189.999806	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M-2H+K"	36.948606
"845714"	421.299006	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-2H+K"	36.948606
"1568108"	421.299006	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+K-2H"	36.948606
"957086"	429.348594	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-H+HCOOH"	44.998194
"375909"	813.699001	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+HCOOH-H"	44.998201
"361008"	827.714651	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+Hac-H"	59.013851
"1507653"	443.364251	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Hac-H"	59.013851
"971184"	451.330551	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-H+NaCOOH"	66.980151
"123979"	419.319802	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+2Cl"	69.938804
"554547"	611.495002	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+2Cl"	69.938804
"1032093"	227.144602	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2Cl"	69.938804
"1250577"	463.269285	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Br"	78.918885
"1315577"	465.325272	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Cl+HCOOH"	80.974872
"1329427"	487.307229	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Cl+NaCOOH"	102.956829
"913558"	497.335986	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M-H+CF3COOH"	112.985586
"1289664"	533.312664	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Cl+CF3COOH"	148.962264
"1367948"	349.337724	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H-2H2O"	-35.012676
"1393593"	367.3477	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H-H2O"	-17.0027
"297294"	769.708076	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+H"	1.007276
"687888"	1154.058476	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+H"	1.007276
"1363508"	385.357676	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H"	1.007276
"135669"	385.357676	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+2H"	2.014552
"574862"	577.532876	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+2H"	2.014552
"1048766"	193.182476	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2H"	2.014552
"217395"	257.240876	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+3H"	3.021828
"659393"	385.357676	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+3H"	3.021828
"1176908"	129.124076	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+3H"	3.021828
"435808"	786.734623	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+NH4"	18.033823
"796803"	1171.085023	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+NH4"	18.033823
"1692039"	402.384223	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+NH4"	18.033823
"334848"	393.8709495	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+H+NH4"	19.041099
"726178"	586.0461495	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+H+NH4"	19.041099
"1483278"	201.6957495	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H+NH4"	19.041099
"396854"	791.690018	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+Na"	22.989218
"765140"	1176.040418	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+Na"	22.989218
"1607771"	407.339618	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Na"	22.989218
"319995"	396.348647	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+H+Na"	23.996494
"711322"	588.523847	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+H+Na"	23.996494
"1467330"	204.173447	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H+Na"	23.996494
"1057296"	136.45139	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2H+Na"	25.00377
"1258971"	417.383886	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+CH3OH+H"	33.033486
"378641"	807.663958	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+K"	38.963158
"740363"	1192.014358	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+K"	38.963158
"1540836"	423.313558	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+K"	38.963158
"298980"	404.335617	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+H+K"	39.970434
"692742"	596.510817	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+H+K"	39.970434
"1446075"	212.160417	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H+K"	39.970434
"236133"	810.734626	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+ACN+H"	42.033826
"1210786"	426.384226	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+ACN+H"	42.033826
"1196865"	213.695751	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+ACN+2H"	43.041102
"189610"	813.67196	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+2Na-H"	44.97116
"630752"	1198.02236	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+2Na-H"	44.97116
"1133169"	429.32156	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2Na-H"	44.97116
"175367"	407.339618	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+2Na"	45.978436
"617845"	599.514818	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+2Na"	45.978436
"1119899"	215.164418	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2Na"	45.978436
"1401231"	143.778704	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H+2Na"	46.985712
"1433348"	431.363146	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H+HCOOH"	47.012746
"222313"	412.37264	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+3H2O+2H"	56.04448
"1509773"	445.41519	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+IsoProp+H"	61.06479
"409706"	415.326588	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+Na+K"	61.952376
"770364"	607.501788	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+Na+K"	61.952376
"1666305"	223.151388	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Na+K"	61.952376
"252094"	832.716568	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+ACN+Na"	64.015768
"1226338"	448.366168	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+ACN+Na"	64.015768
"1727680"	448.389693	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+NH4+HCOOH"	64.039293
"1192183"	151.106018	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+3Na"	68.967654
"1660617"	453.345088	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Na+HCOOH"	68.994688
"170759"	845.61984	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+2K-H"	76.91904
"611411"	1229.97024	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+2K-H"	76.91904
"1099205"	461.26944	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2K-H"	76.91904
"155900"	423.313558	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"2M+2K"	77.926316
"594488"	615.488758	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"3M+2K"	77.926316
"1084139"	231.138358	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2K"	77.926316
"1113914"	463.283992	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2K+H"	78.933592
"1350827"	463.371607	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+DMSO+H"	79.021207
"1021342"	467.410776	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2ACN+H"	83.060376
"1538169"	468.404408	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+IsoProp+Na+H"	84.054008
"1003885"	234.209026	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+2ACN+2H"	84.067652
"1601795"	469.319028	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+K+HCOOH"	84.968628
"1429519"	499.350538	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+H+CF3COOH"	115.000138
"1160900"	254.722301	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+3ACN+2H"	125.094202
"1707168"	516.377085	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+NH4+CF3COOH"	132.026685
"1648653"	521.33248	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+Na+CF3COOH"	136.98208
"1583938"	537.30642	"C10795"	"Buxamine E"	"C26H44N2"	"384.3504"	"M+K+CF3COOH"	152.95602
"807742"	851.5031	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M"	0
"977992"	832.48471	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-H2O-H"	-19.01839
"66234"	566.661457333333	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M-3H"	-3.021828
"505427"	850.495824	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M-3H"	-3.021828
"881526"	282.827090666667	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-3H"	-3.021828
"587"	850.495824	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M-2H"	-2.014552
"451584"	1276.247374	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M-2H"	-2.014552
"830117"	424.744274	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-2H"	-2.014552
"87189"	1701.998924	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M-H"	-1.007276
"523467"	2553.502024	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M-H"	-1.007276
"905647"	850.495824	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-H"	-1.007276
"61487"	1719.025471	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M-2H+NH4"	16.019271
"501654"	2570.528571	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M-2H+NH4"	16.019271
"869737"	867.522371	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-2H+NH4"	16.019271
"45656"	1723.980866	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M-2H+Na"	20.974666
"485460"	2575.483966	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M-2H+Na"	20.974666
"861560"	872.477766	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-2H+Na"	20.974666
"1626722"	872.477766	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Na-2H"	20.974666
"102155"	868.484163	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M-H+Cl"	33.962126
"547184"	1294.235713	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M-H+Cl"	33.962126
"939603"	442.732613	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-H+Cl"	33.962126
"274877"	1737.975602	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+Cl"	34.969402
"665110"	2589.478702	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+Cl"	34.969402
"1276422"	886.472502	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Cl"	34.969402
"29801"	1739.954806	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M-2H+K"	36.948606
"469845"	2591.457906	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M-2H+K"	36.948606
"844001"	888.451706	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-2H+K"	36.948606
"1567486"	888.451706	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+K-2H"	36.948606
"950995"	896.501294	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-H+HCOOH"	44.998194
"369211"	1748.004401	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+HCOOH-H"	44.998201
"358197"	1762.020051	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+Hac-H"	59.013851
"1507275"	910.516951	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Hac-H"	59.013851
"965095"	918.483251	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-H+NaCOOH"	66.980151
"119469"	886.472502	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+2Cl"	69.938804
"556843"	1312.224052	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+2Cl"	69.938804
"1034389"	460.720952	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2Cl"	69.938804
"1246313"	930.421985	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Br"	78.918885
"1314228"	932.477972	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Cl+HCOOH"	80.974872
"1326256"	954.459929	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Cl+NaCOOH"	102.956829
"913668"	964.488686	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M-H+CF3COOH"	112.985586
"1289651"	1000.465364	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Cl+CF3COOH"	148.962264
"1367935"	816.490424	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H-2H2O"	-35.012676
"1397346"	834.5004	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H-H2O"	-17.0027
"295939"	1704.013476	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+H"	1.007276
"683987"	2555.516576	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+H"	1.007276
"1362523"	852.510376	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H"	1.007276
"134320"	852.510376	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+2H"	2.014552
"571692"	1278.261926	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+2H"	2.014552
"1047053"	426.758826	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2H"	2.014552
"217869"	568.676009333333	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+3H"	3.021828
"655608"	852.510376	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+3H"	3.021828
"1177989"	284.841642666667	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+3H"	3.021828
"437980"	1721.040023	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+NH4"	18.033823
"799826"	2572.543123	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+NH4"	18.033823
"1692147"	869.536923	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+NH4"	18.033823
"334957"	861.0236495	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+H+NH4"	19.041099
"727381"	1286.7751995	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+H+NH4"	19.041099
"1483388"	435.2720995	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H+NH4"	19.041099
"397693"	1725.995418	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+Na"	22.989218
"765250"	2577.498518	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+Na"	22.989218
"1607881"	874.492318	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Na"	22.989218
"320105"	863.501347	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+H+Na"	23.996494
"710338"	1289.252897	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+H+Na"	23.996494
"1467440"	437.749797	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H+Na"	23.996494
"1059592"	292.168956666667	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2H+Na"	25.00377
"1261269"	884.536586	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+CH3OH+H"	33.033486
"378750"	1741.969358	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+K"	38.963158
"740111"	2593.472458	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+K"	38.963158
"1540945"	890.466258	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+K"	38.963158
"298969"	871.488317	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+H+K"	39.970434
"692487"	1297.239867	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+H+K"	39.970434
"1445862"	445.736767	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H+K"	39.970434
"236005"	1745.040026	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+ACN+H"	42.033826
"1210900"	893.536926	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+ACN+H"	42.033826
"1196244"	447.272101	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+ACN+2H"	43.041102
"189843"	1747.97736	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+2Na-H"	44.97116
"630498"	2599.48046	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+2Na-H"	44.97116
"1134372"	896.47426	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2Na-H"	44.97116
"178758"	874.492318	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+2Na"	45.978436
"621235"	1300.243868	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+2Na"	45.978436
"1119645"	448.740768	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2Na"	45.978436
"1400612"	299.496270666667	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H+2Na"	46.985712
"1431635"	898.515846	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H+HCOOH"	47.012746
"224978"	879.52534	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+3H2O+2H"	56.04448
"1509157"	912.56789	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+IsoProp+H"	61.06479
"409453"	882.479288	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+Na+K"	61.952376
"771540"	1308.230838	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+Na+K"	61.952376
"1666414"	456.727738	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Na+K"	61.952376
"251960"	1767.021968	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+ACN+Na"	64.015768
"1226081"	915.518868	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+ACN+Na"	64.015768
"1726818"	915.542393	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+NH4+HCOOH"	64.039293
"1192658"	306.823584666667	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+3Na"	68.967654
"1662550"	920.497788	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Na+HCOOH"	68.994688
"172087"	1779.92524	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+2K-H"	76.91904
"610428"	2631.42834	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+2K-H"	76.91904
"1099563"	928.42214	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2K-H"	76.91904
"154917"	890.466258	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"2M+2K"	77.926316
"593505"	1316.217808	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"3M+2K"	77.926316
"1084128"	464.714708	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2K"	77.926316
"1115121"	930.436692	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2K+H"	78.933592
"1350530"	930.524307	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+DMSO+H"	79.021207
"1020032"	934.563476	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2ACN+H"	83.060376
"1538279"	935.557108	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+IsoProp+Na+H"	84.054008
"1003632"	467.785376	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+2ACN+2H"	84.067652
"1602147"	936.471728	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+K+HCOOH"	84.968628
"1429384"	966.503238	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+H+CF3COOH"	115.000138
"1161010"	488.298651	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+3ACN+2H"	125.094202
"1707278"	983.529785	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+NH4+CF3COOH"	132.026685
"1648763"	988.48518	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+Na+CF3COOH"	136.98208
"1584048"	1004.45912	"C10796"	"alpha-Chaconine"	"C45H73NO14"	"851.5031"	"M+K+CF3COOH"	152.95602
"811132"	386.3297	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M"	0
"978102"	367.31131	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-H2O-H"	-19.01839
"64157"	256.545857333333	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M-3H"	-3.021828
"504810"	385.322424	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M-3H"	-3.021828
"880424"	127.769290666667	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-3H"	-3.021828
"4466"	385.322424	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M-2H"	-2.014552
"454973"	578.487274	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M-2H"	-2.014552
"832292"	192.157574	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-2H"	-2.014552
"87299"	771.652124	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M-H"	-1.007276
"523578"	1157.981824	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M-H"	-1.007276
"909036"	385.322424	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-H"	-1.007276
"61230"	788.678671	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M-2H+NH4"	16.019271
"502458"	1175.008371	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M-2H+NH4"	16.019271
"876407"	402.348971	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-2H+NH4"	16.019271
"44307"	793.634066	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M-2H+Na"	20.974666
"484961"	1179.963766	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M-2H+Na"	20.974666
"862767"	407.304366	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-2H+Na"	20.974666
"1626831"	407.304366	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Na-2H"	20.974666
"105545"	403.310763	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M-H+Cl"	33.962126
"544011"	596.475613	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M-H+Cl"	33.962126
"938618"	210.145913	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-H+Cl"	33.962126
"272801"	807.628802	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+Cl"	34.969402
"663398"	1193.958502	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+Cl"	34.969402
"1279813"	421.299102	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Cl"	34.969402
"23462"	809.608006	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M-2H+K"	36.948606
"470928"	1195.937706	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M-2H+K"	36.948606
"846296"	423.278306	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-2H+K"	36.948606
"1564316"	423.278306	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+K-2H"	36.948606
"950012"	431.327894	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-H+HCOOH"	44.998194
"366041"	817.657601	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+HCOOH-H"	44.998201
"356484"	831.673251	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+Hac-H"	59.013851
"1500944"	445.343551	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Hac-H"	59.013851
"964110"	453.309851	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-H+NaCOOH"	66.980151
"117392"	421.299102	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+2Cl"	69.938804
"556952"	614.463952	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+2Cl"	69.938804
"1031218"	228.134252	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2Cl"	69.938804
"1248610"	465.248585	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Br"	78.918885
"1312150"	467.304572	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Cl+HCOOH"	80.974872
"1326367"	489.286529	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Cl+NaCOOH"	102.956829
"912320"	499.315286	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M-H+CF3COOH"	112.985586
"1289032"	535.291964	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Cl+CF3COOH"	148.962264
"1370110"	351.317024	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H-2H2O"	-35.012676
"1388707"	369.327	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H-H2O"	-17.0027
"290580"	773.666676	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+H"	1.007276
"685187"	1159.996376	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+H"	1.007276
"1361903"	387.336976	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H"	1.007276
"128961"	387.336976	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+2H"	2.014552
"569976"	580.501826	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+2H"	2.014552
"1046063"	194.172126	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2H"	2.014552
"209955"	258.560409333333	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+3H"	3.021828
"653530"	387.336976	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+3H"	3.021828
"1177126"	129.783842666667	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+3H"	3.021828
"437482"	790.693223	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+NH4"	18.033823
"799572"	1177.022923	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+NH4"	18.033823
"1692255"	404.363523	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+NH4"	18.033823
"338347"	395.8502495	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+H+NH4"	19.041099
"728584"	589.0150995	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+H+NH4"	19.041099
"1483498"	202.6853995	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H+NH4"	19.041099
"398896"	795.648618	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+Na"	22.989218
"763173"	1181.978318	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+Na"	22.989218
"1606896"	409.318918	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Na"	22.989218
"321308"	398.327947	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+H+Na"	23.996494
"711542"	591.492797	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+H+Na"	23.996494
"1470831"	205.163097	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H+Na"	23.996494
"1057515"	137.111156666667	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2H+Na"	25.00377
"1259557"	419.363186	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+CH3OH+H"	33.033486
"378129"	811.622558	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+K"	38.963158
"740220"	1197.952258	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+K"	38.963158
"1541178"	425.292858	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+K"	38.963158
"299080"	406.314917	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+H+K"	39.970434
"691581"	599.479767	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+H+K"	39.970434
"1446175"	213.150067	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H+K"	39.970434
"236115"	814.693226	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+ACN+H"	42.033826
"1211375"	428.363526	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+ACN+H"	42.033826
"1195988"	214.685401	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+ACN+2H"	43.041102
"190682"	817.63056	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+2Na-H"	44.97116
"632065"	1203.96026	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+2Na-H"	44.97116
"1134847"	431.30086	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2Na-H"	44.97116
"181785"	409.318918	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+2Na"	45.978436
"621345"	602.483768	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+2Na"	45.978436
"1118052"	216.154068	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2Na"	45.978436
"1400357"	144.438470666667	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H+2Na"	46.985712
"1430408"	433.342446	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H+HCOOH"	47.012746
"223264"	414.35194	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+3H2O+2H"	56.04448
"1510967"	447.39449	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+IsoProp+H"	61.06479
"409563"	417.305888	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+Na+K"	61.952376
"770919"	610.470738	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+Na+K"	61.952376
"1666282"	224.141038	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Na+K"	61.952376
"253410"	836.675168	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+ACN+Na"	64.015768
"1227206"	450.345468	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+ACN+Na"	64.015768
"1727900"	450.368993	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+NH4+HCOOH"	64.039293
"1193497"	151.765784666667	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+3Na"	68.967654
"1664117"	455.324388	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Na+HCOOH"	68.994688
"172480"	849.57844	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+2K-H"	76.91904
"609444"	1235.90814	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+2K-H"	76.91904
"1099395"	463.24874	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2K-H"	76.91904
"154052"	425.292858	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"2M+2K"	77.926316
"594708"	618.457708	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"3M+2K"	77.926316
"1083728"	232.128008	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2K"	77.926316
"1114375"	465.263292	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2K+H"	78.933592
"1351010"	465.350907	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+DMSO+H"	79.021207
"1020750"	469.390076	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2ACN+H"	83.060376
"1538749"	470.383708	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+IsoProp+Na+H"	84.054008
"1003012"	235.198676	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+2ACN+2H"	84.067652
"1602258"	471.298328	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+K+HCOOH"	84.968628
"1429372"	501.329838	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+H+CF3COOH"	115.000138
"1162578"	255.711951	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+3ACN+2H"	125.094202
"1708481"	518.356385	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+NH4+CF3COOH"	132.026685
"1646321"	523.31178	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+Na+CF3COOH"	136.98208
"1584158"	539.28572	"C10797"	"Cyclobuxine D;Cyclobuxine"	"C25H42N2O"	"386.3297"	"M+K+CF3COOH"	152.95602
"811242"	411.3137	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M"	0
"977118"	392.29531	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-H2O-H"	-19.01839
"63538"	273.201857333333	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M-3H"	-3.021828
"503827"	410.306424	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M-3H"	-3.021828
"880209"	136.097290666667	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-3H"	-3.021828
"4576"	410.306424	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M-2H"	-2.014552
"452897"	615.963274	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M-2H"	-2.014552
"828514"	204.649574	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-2H"	-2.014552
"86316"	821.620124	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M-H"	-1.007276
"521502"	1232.933824	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M-H"	-1.007276
"906960"	410.306424	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-H"	-1.007276
"61340"	838.646671	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M-2H+NH4"	16.019271
"500900"	1249.960371	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M-2H+NH4"	16.019271
"876517"	427.332971	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-2H+NH4"	16.019271
"43324"	843.602066	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M-2H+Na"	20.974666
"483977"	1254.915766	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M-2H+Na"	20.974666
"862148"	432.288366	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-2H+Na"	20.974666
"1626941"	432.288366	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Na-2H"	20.974666
"103469"	428.294763	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M-H+Cl"	33.962126
"544121"	633.951613	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M-H+Cl"	33.962126
"936542"	222.637913	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-H+Cl"	33.962126
"274004"	857.596802	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+Cl"	34.969402
"665331"	1268.910502	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+Cl"	34.969402
"1279923"	446.283102	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Cl"	34.969402
"22479"	859.576006	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M-2H+K"	36.948606
"470064"	1270.889706	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M-2H+K"	36.948606
"844220"	448.262306	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-2H+K"	36.948606
"1564426"	448.262306	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+K-2H"	36.948606
"950122"	456.311894	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-H+HCOOH"	44.998194
"367244"	867.625601	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+HCOOH-H"	44.998201
"355866"	881.641251	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+Hac-H"	59.013851
"1501054"	470.327551	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Hac-H"	59.013851
"963127"	478.293851	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-H+NaCOOH"	66.980151
"117502"	446.283102	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+2Cl"	69.938804
"558156"	651.939952	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+2Cl"	69.938804
"1034609"	240.626252	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2Cl"	69.938804
"1249814"	490.232585	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Br"	78.918885
"1313354"	492.288572	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Cl+HCOOH"	80.974872
"1326476"	514.270529	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Cl+NaCOOH"	102.956829
"911824"	524.299286	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M-H+CF3COOH"	112.985586
"1289506"	560.275964	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Cl+CF3COOH"	148.962264
"1367345"	376.301024	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H-2H2O"	-35.012676
"1391001"	394.311	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H-H2O"	-17.0027
"290690"	823.634676	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+H"	1.007276
"685297"	1234.948376	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+H"	1.007276
"1358365"	412.320976	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H"	1.007276
"131254"	412.320976	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+2H"	2.014552
"570814"	617.977826	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+2H"	2.014552
"1040706"	206.664126	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2H"	2.014552
"206785"	275.216409333333	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+3H"	3.021828
"647079"	412.320976	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+3H"	3.021828
"1174320"	138.111842666667	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+3H"	3.021828
"431759"	840.661223	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+NH4"	18.033823
"794942"	1251.974923	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+NH4"	18.033823
"1689085"	429.347523	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+NH4"	18.033823
"335178"	420.8342495	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+H+NH4"	19.041099
"727600"	626.4910995	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+H+NH4"	19.041099
"1482514"	215.1773995	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H+NH4"	19.041099
"399005"	845.616618	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+Na"	22.989218
"760003"	1256.930318	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+Na"	22.989218
"1607005"	434.302918	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Na"	22.989218
"319231"	423.311947	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+H+Na"	23.996494
"712744"	628.968797	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+H+Na"	23.996494
"1470941"	217.655097	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H+Na"	23.996494
"1055438"	145.439156666667	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2H+Na"	25.00377
"1257722"	444.347186	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+CH3OH+H"	33.033486
"378243"	861.590558	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+K"	38.963158
"739238"	1272.904258	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+K"	38.963158
"1540026"	450.276858	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+K"	38.963158
"300650"	431.298917	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+H+K"	39.970434
"691529"	636.955767	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+H+K"	39.970434
"1445606"	225.642067	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H+K"	39.970434
"236589"	864.661226	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+ACN+H"	42.033826
"1210756"	453.347526	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+ACN+H"	42.033826
"1194287"	227.177401	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+ACN+2H"	43.041102
"188579"	867.59856	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+2Na-H"	44.97116
"628846"	1278.91226	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+2Na-H"	44.97116
"1131663"	456.28486	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2Na-H"	44.97116
"172868"	434.302918	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+2Na"	45.978436
"618175"	639.959768	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+2Na"	45.978436
"1117797"	228.646068	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2Na"	45.978436
"1401310"	152.766470666667	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H+2Na"	46.985712
"1431124"	458.326446	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H+HCOOH"	47.012746
"221914"	439.33594	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+3H2O+2H"	56.04448
"1509245"	472.37849	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+IsoProp+H"	61.06479
"411850"	442.289888	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+Na+K"	61.952376
"771757"	647.946738	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+Na+K"	61.952376
"1666626"	236.633038	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Na+K"	61.952376
"252062"	886.643168	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+ACN+Na"	64.015768
"1226709"	475.329468	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+ACN+Na"	64.015768
"1713778"	475.352993	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+NH4+HCOOH"	64.039293
"1193606"	160.093784666667	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+3Na"	68.967654
"1664226"	480.308388	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Na+HCOOH"	68.994688
"172631"	899.54644	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+2K-H"	76.91904
"608461"	1310.86014	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+2K-H"	76.91904
"1099539"	488.23274	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2K-H"	76.91904
"151976"	450.276858	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"2M+2K"	77.926316
"593725"	655.933708	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"3M+2K"	77.926316
"1084188"	244.620008	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2K"	77.926316
"1114606"	490.247292	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2K+H"	78.933592
"1351000"	490.334907	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+DMSO+H"	79.021207
"1021273"	494.374076	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2ACN+H"	83.060376
"1538859"	495.367708	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+IsoProp+Na+H"	84.054008
"1003122"	247.690676	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+2ACN+2H"	84.067652
"1602367"	496.282328	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+K+HCOOH"	84.968628
"1426566"	526.313838	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+H+CF3COOH"	115.000138
"1160136"	268.203951	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+3ACN+2H"	125.094202
"1705311"	543.340385	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+NH4+CF3COOH"	132.026685
"1646431"	548.29578	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+Na+CF3COOH"	136.98208
"1584268"	564.26972	"C10798"	"Cyclopamine"	"C27H41NO2"	"411.3137"	"M+K+CF3COOH"	152.95602
"811352"	400.3818	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M"	0
"976136"	381.36341	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-H2O-H"	-19.01839
"64378"	265.913924	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M-3H"	-3.021828
"508311"	399.374524	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M-3H"	-3.021828
"882101"	132.453324	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-3H"	-3.021828
"3593"	399.374524	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M-2H"	-2.014552
"453007"	599.565424	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M-2H"	-2.014552
"830082"	199.183624	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-2H"	-2.014552
"85333"	799.756324	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M-H"	-1.007276
"522705"	1200.138124	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M-H"	-1.007276
"905977"	399.374524	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-H"	-1.007276
"60724"	816.782871	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M-2H+NH4"	16.019271
"501376"	1217.164671	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M-2H+NH4"	16.019271
"877357"	416.401071	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-2H+NH4"	16.019271
"44895"	821.738266	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M-2H+Na"	20.974666
"484087"	1222.120066	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M-2H+Na"	20.974666
"858615"	421.356466	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-2H+Na"	20.974666
"1627051"	421.356466	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Na-2H"	20.974666
"104672"	417.362863	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M-H+Cl"	33.962126
"546418"	617.553763	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M-H+Cl"	33.962126
"934466"	217.171963	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-H+Cl"	33.962126
"273021"	835.733002	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+Cl"	34.969402
"664347"	1236.114802	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+Cl"	34.969402
"1280033"	435.351202	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Cl"	34.969402
"21495"	837.712206	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M-2H+K"	36.948606
"470620"	1238.094006	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M-2H+K"	36.948606
"846516"	437.330406	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-2H+K"	36.948606
"1564537"	437.330406	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+K-2H"	36.948606
"951325"	445.379994	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-H+HCOOH"	44.998194
"370634"	845.761801	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+HCOOH-H"	44.998201
"358528"	859.777451	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+Hac-H"	59.013851
"1497884"	459.395651	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Hac-H"	59.013851
"970163"	467.361951	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-H+NaCOOH"	66.980151
"123443"	435.351202	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+2Cl"	69.938804
"558266"	635.542102	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+2Cl"	69.938804
"1032532"	235.160302	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2Cl"	69.938804
"1246644"	479.300685	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Br"	78.918885
"1313464"	481.356672	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Cl+HCOOH"	80.974872
"1323306"	503.338629	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Cl+NaCOOH"	102.956829
"913271"	513.367386	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M-H+CF3COOH"	112.985586
"1288527"	549.344064	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Cl+CF3COOH"	148.962264
"1369964"	365.369124	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H-2H2O"	-35.012676
"1391111"	383.3791	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H-H2O"	-17.0027
"289707"	801.770876	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+H"	1.007276
"687594"	1202.152676	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+H"	1.007276
"1358475"	401.389076	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H"	1.007276
"131367"	401.389076	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+2H"	2.014552
"570194"	601.579976	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+2H"	2.014552
"1042637"	201.198176	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2H"	2.014552
"207989"	267.928476	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+3H"	3.021828
"650469"	401.389076	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+3H"	3.021828
"1167499"	134.467876	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+3H"	3.021828
"429314"	818.797423	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+NH4"	18.033823
"795782"	1219.179223	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+NH4"	18.033823
"1684822"	418.415623	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+NH4"	18.033823
"334195"	409.9023495	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+H+NH4"	19.041099
"729897"	610.0932495	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+H+NH4"	19.041099
"1481529"	209.7114495	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H+NH4"	19.041099
"396926"	823.752818	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+Na"	22.989218
"760111"	1224.134618	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+Na"	22.989218
"1606021"	423.371018	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Na"	22.989218
"319341"	412.380047	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+H+Na"	23.996494
"711761"	612.570947	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+H+Na"	23.996494
"1469957"	212.189147	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H+Na"	23.996494
"1056639"	141.79519	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2H+Na"	25.00377
"1258440"	433.415286	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+CH3OH+H"	33.033486
"377413"	839.726758	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+K"	38.963158
"739343"	1240.108558	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+K"	38.963158
"1542122"	439.344958	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+K"	38.963158
"299668"	420.367017	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+H+K"	39.970434
"691560"	620.557917	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+H+K"	39.970434
"1445663"	220.176117	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H+K"	39.970434
"235724"	842.797426	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+ACN+H"	42.033826
"1211229"	442.415626	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+ACN+H"	42.033826
"1194744"	221.711451	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+ACN+2H"	43.041102
"189318"	845.73476	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+2Na-H"	44.97116
"628551"	1246.11656	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+2Na-H"	44.97116
"1131477"	445.35296	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2Na-H"	44.97116
"172952"	423.371018	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+2Na"	45.978436
"612956"	623.561918	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+2Na"	45.978436
"1118519"	223.180118	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2Na"	45.978436
"1399850"	149.122504	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H+2Na"	46.985712
"1431235"	447.394546	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H+HCOOH"	47.012746
"221659"	428.40404	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+3H2O+2H"	56.04448
"1511543"	461.44659	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+IsoProp+H"	61.06479
"410866"	431.357988	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+Na+K"	61.952376
"771863"	631.548888	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+Na+K"	61.952376
"1667467"	231.167088	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Na+K"	61.952376
"252894"	864.779368	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+ACN+Na"	64.015768
"1226089"	464.397568	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+ACN+Na"	64.015768
"1713188"	464.421093	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+NH4+HCOOH"	64.039293
"1191893"	156.449818	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+3Na"	68.967654
"1659963"	469.376488	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Na+HCOOH"	68.994688
"172781"	877.68264	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+2K-H"	76.91904
"612220"	1278.06444	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+2K-H"	76.91904
"1099650"	477.30084	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2K-H"	76.91904
"154274"	439.344958	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"2M+2K"	77.926316
"594928"	639.535858	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"3M+2K"	77.926316
"1084024"	239.154058	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2K"	77.926316
"1115082"	479.315392	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2K+H"	78.933592
"1350980"	479.403007	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+DMSO+H"	79.021207
"1019750"	483.442176	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2ACN+H"	83.060376
"1534595"	484.435808	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+IsoProp+Na+H"	84.054008
"1003232"	242.224726	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+2ACN+2H"	84.067652
"1601383"	485.350428	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+K+HCOOH"	84.968628
"1426676"	515.381938	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+H+CF3COOH"	115.000138
"1156966"	262.738001	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+3ACN+2H"	125.094202
"1705421"	532.408485	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+NH4+CF3COOH"	132.026685
"1645448"	537.36388	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+Na+CF3COOH"	136.98208
"1584378"	553.33782	"C10799"	"Cycloprotobuxine C"	"C27H48N2"	"400.3818"	"M+K+CF3COOH"	152.95602
"808182"	292.2402	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M"	0
"976246"	273.22181	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"67768"	193.819524	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"506233"	291.232924	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"880996"	96.406124	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"2610"	291.232924	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"453117"	437.353024	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"830920"	145.112824	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"88722"	583.473124	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"523908"	875.713324	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"906087"	291.232924	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"57192"	600.499671	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"498574"	892.739871	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"872368"	308.259471	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"44277"	605.455066	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"479823"	897.695266	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"860547"	313.214866	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1630441"	313.214866	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"105876"	309.221263	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"545436"	455.341363	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"933482"	163.101163	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"269486"	619.449802	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"664457"	911.690002	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1280144"	327.209602	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"21606"	621.429006	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"468462"	913.669206	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"846631"	329.188806	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1568659"	329.188806	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"958205"	337.238394	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"375486"	629.478601	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"361248"	643.494251	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1503462"	351.254051	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"973434"	359.220351	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"125666"	327.209602	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"563116"	473.329702	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1036168"	181.089502	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1253314"	371.159085	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1315761"	373.215072	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1323416"	395.197029	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"913383"	405.225786	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1289603"	441.202464	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1367767"	257.227524	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1387942"	275.2375	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"292002"	585.487676	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"687704"	877.727876	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1357492"	293.247476	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"131476"	293.247476	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"569940"	439.367576	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1042384"	147.127376	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"208463"	195.834076	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"649485"	293.247476	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1167974"	98.420676	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"430152"	602.514223	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"788966"	894.754423	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1684930"	310.274023	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"333211"	301.7607495	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"724538"	447.8808495	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1479816"	155.6406495	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"395943"	607.469618	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"756086"	899.709818	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1604430"	315.229418	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"318357"	304.238447	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"709683"	450.358547	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1464595"	158.118347	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1053590"	105.74799	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1257697"	325.273686	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"378819"	623.443558	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"739449"	915.683758	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1541867"	331.203358	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"300142"	312.225417	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"692194"	458.345517	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1446172"	166.105317	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"235913"	626.514226	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1211339"	334.274026	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1197046"	167.640651	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"189546"	629.45156	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"629102"	921.69176	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1131765"	337.21136	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"173232"	315.229418	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"613881"	461.349518	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1116682"	169.109318	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1399111"	113.075304	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1431345"	339.252946	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"221038"	320.26244	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1510560"	353.30499	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"409883"	323.216388	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"771608"	469.336488	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1667577"	177.096288	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"254459"	648.496168	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1228990"	356.255968	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1713013"	356.279493	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1191275"	120.402618	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1663353"	361.234888	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"172651"	661.39944	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"612330"	953.63964	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1099558"	369.15924	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"156984"	331.203358	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"590664"	477.323458	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1081736"	185.083258	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1114832"	371.173792	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1351091"	371.261407	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1018766"	375.300576	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1534705"	376.294208	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"1005408"	188.153926	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1601128"	377.208828	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1426786"	407.240338	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1158169"	208.667201	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1707718"	424.266885	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1645558"	429.22228	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1584488"	445.19622	"C10800"	"Grevillol"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"816556"	416.3767	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M"	0
"988386"	397.35831	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-H2O-H"	-19.01839
"65693"	276.577190666667	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M-3H"	-3.021828
"507439"	415.369424	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M-3H"	-3.021828
"884146"	137.784957333333	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-3H"	-3.021828
"6003"	415.369424	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M-2H"	-2.014552
"453227"	623.557774	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M-2H"	-2.014552
"830666"	207.181074	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-2H"	-2.014552
"91019"	831.746124	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M-H"	-1.007276
"527297"	1248.122824	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M-H"	-1.007276
"906195"	415.369424	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-H"	-1.007276
"59487"	848.772671	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M-2H+NH4"	16.019271
"499778"	1265.149371	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M-2H+NH4"	16.019271
"876485"	432.395971	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-2H+NH4"	16.019271
"45476"	853.728066	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M-2H+Na"	20.974666
"483211"	1270.104766	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M-2H+Na"	20.974666
"862109"	437.351366	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-2H+Na"	20.974666
"1627271"	437.351366	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Na-2H"	20.974666
"107078"	433.357763	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M-H+Cl"	33.962126
"545544"	641.546113	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M-H+Cl"	33.962126
"931404"	225.169413	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-H+Cl"	33.962126
"273241"	867.722802	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+Cl"	34.969402
"661528"	1284.099502	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+Cl"	34.969402
"1282440"	451.346102	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Cl"	34.969402
"20622"	869.702006	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M-2H+K"	36.948606
"470029"	1286.078706	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M-2H+K"	36.948606
"847106"	453.325306	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-2H+K"	36.948606
"1570228"	453.325306	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+K-2H"	36.948606
"958370"	461.374894	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-H+HCOOH"	44.998194
"376407"	877.751601	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+HCOOH-H"	44.998201
"361281"	891.767251	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+Hac-H"	59.013851
"1508152"	475.390551	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Hac-H"	59.013851
"973870"	483.356851	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-H+NaCOOH"	66.980151
"125681"	451.346102	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+2Cl"	69.938804
"565664"	659.534452	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+2Cl"	69.938804
"1036643"	243.157752	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2Cl"	69.938804
"1256910"	495.295585	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Br"	78.918885
"1315871"	497.351572	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Cl+HCOOH"	80.974872
"1324619"	519.333529	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Cl+NaCOOH"	102.956829
"915680"	529.362286	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M-H+CF3COOH"	112.985586
"1293482"	565.338964	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Cl+CF3COOH"	148.962264
"1371644"	381.364024	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H-2H2O"	-35.012676
"1386956"	399.374	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H-H2O"	-17.0027
"288828"	833.760676	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+H"	1.007276
"681251"	1250.137376	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+H"	1.007276
"1358694"	417.383976	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H"	1.007276
"133770"	417.383976	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+2H"	2.014552
"570051"	625.572326	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+2H"	2.014552
"1042494"	209.195626	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2H"	2.014552
"211486"	278.591742666667	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+3H"	3.021828
"649956"	417.383976	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+3H"	3.021828
"1169174"	139.799509333333	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+3H"	3.021828
"431717"	850.787223	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+NH4"	18.033823
"789805"	1267.163923	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+NH4"	18.033823
"1684677"	434.410523	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+NH4"	18.033823
"333686"	425.8972495	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+H+NH4"	19.041099
"725375"	634.0855995	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+H+NH4"	19.041099
"1483935"	217.7088995	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H+NH4"	19.041099
"393865"	855.742618	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+Na"	22.989218
"757047"	1272.119318	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+Na"	22.989218
"1607334"	439.365918	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Na"	22.989218
"321747"	428.374947	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+H+Na"	23.996494
"709794"	636.563297	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+H+Na"	23.996494
"1465802"	220.186597	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H+Na"	23.996494
"1053009"	147.126823333333	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2H+Na"	25.00377
"1258170"	449.410186	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+CH3OH+H"	33.033486
"377836"	871.716558	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+K"	38.963158
"739318"	1288.093258	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+K"	38.963158
"1541129"	455.339858	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+K"	38.963158
"301345"	436.361917	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+H+K"	39.970434
"691817"	644.550267	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+H+K"	39.970434
"1445703"	228.173567	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H+K"	39.970434
"235834"	874.787226	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+ACN+H"	42.033826
"1211082"	458.410526	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+ACN+H"	42.033826
"1194964"	229.708901	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+ACN+2H"	43.041102
"192579"	877.72456	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+2Na-H"	44.97116
"629459"	1294.10126	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+2Na-H"	44.97116
"1131876"	461.34786	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2Na-H"	44.97116
"174432"	439.365918	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+2Na"	45.978436
"613747"	647.554268	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+2Na"	45.978436
"1116549"	231.177568	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2Na"	45.978436
"1399219"	154.454137333333	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H+2Na"	46.985712
"1430973"	463.389446	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H+HCOOH"	47.012746
"221879"	444.39894	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+3H2O+2H"	56.04448
"1509699"	477.44149	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+IsoProp+H"	61.06479
"410721"	447.352888	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+Na+K"	61.952376
"770995"	655.541238	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+Na+K"	61.952376
"1665868"	239.164538	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Na+K"	61.952376
"253842"	896.769168	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+ACN+Na"	64.015768
"1228372"	480.392468	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+ACN+Na"	64.015768
"1713612"	480.415993	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+NH4+HCOOH"	64.039293
"1181529"	161.781451333333	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+3Na"	68.967654
"1662370"	485.371388	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Na+HCOOH"	68.994688
"171302"	909.67244	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+2K-H"	76.91904
"611957"	1326.04914	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+2K-H"	76.91904
"1099262"	493.29574	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2K-H"	76.91904
"155589"	455.339858	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"2M+2K"	77.926316
"596932"	663.528208	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"3M+2K"	77.926316
"1081846"	247.151508	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2K"	77.926316
"1115265"	495.310292	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2K+H"	78.933592
"1351083"	495.397907	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+DMSO+H"	79.021207
"1019850"	499.437076	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2ACN+H"	83.060376
"1538948"	500.430708	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+IsoProp+Na+H"	84.054008
"1004182"	250.222176	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+2ACN+2H"	84.067652
"1597959"	501.345328	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+K+HCOOH"	84.968628
"1428358"	531.376838	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+H+CF3COOH"	115.000138
"1158283"	270.735451	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+3ACN+2H"	125.094202
"1710016"	548.403385	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+NH4+CF3COOH"	132.026685
"1648586"	553.35878	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+Na+CF3COOH"	136.98208
"1584598"	569.33272	"C10801"	"Cyclovirobuxine C"	"C27H48N2O"	"416.3767"	"M+K+CF3COOH"	152.95602
"811682"	346.2872	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M"	0
"981934"	327.26881	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-H2O-H"	-19.01839
"63616"	229.850857333333	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M-3H"	-3.021828
"505360"	345.279924	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M-3H"	-3.021828
"881095"	114.421790666667	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-3H"	-3.021828
"1372"	345.279924	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M-2H"	-2.014552
"453945"	518.423524	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M-2H"	-2.014552
"830777"	172.136324	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-2H"	-2.014552
"87849"	691.567124	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M-H"	-1.007276
"524128"	1037.854324	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M-H"	-1.007276
"906305"	345.279924	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-H"	-1.007276
"59963"	708.593671	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M-2H+NH4"	16.019271
"499888"	1054.880871	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M-2H+NH4"	16.019271
"876231"	362.306471	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-2H+NH4"	16.019271
"46760"	713.549066	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M-2H+Na"	20.974666
"483321"	1059.836266	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M-2H+Na"	20.974666
"862219"	367.261866	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-2H+Na"	20.974666
"1627381"	367.261866	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Na-2H"	20.974666
"109254"	363.268263	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M-H+Cl"	33.962126
"547841"	536.411863	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M-H+Cl"	33.962126
"931514"	190.124663	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-H+Cl"	33.962126
"273715"	727.543802	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+Cl"	34.969402
"663947"	1073.831002	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+Cl"	34.969402
"1283643"	381.256602	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Cl"	34.969402
"21825"	729.523006	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M-2H+K"	36.948606
"470508"	1075.810206	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M-2H+K"	36.948606
"847215"	383.235806	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-2H+K"	36.948606
"1571245"	383.235806	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+K-2H"	36.948606
"958383"	391.285394	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-H+HCOOH"	44.998194
"374246"	737.572601	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+HCOOH-H"	44.998201
"359831"	751.588251	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+Hac-H"	59.013851
"1508179"	405.301051	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Hac-H"	59.013851
"974175"	413.267351	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-H+NaCOOH"	66.980151
"125671"	381.256602	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+2Cl"	69.938804
"565483"	554.400202	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+2Cl"	69.938804
"1036955"	208.113002	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2Cl"	69.938804
"1256329"	425.206085	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Br"	78.918885
"1313794"	427.262072	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Cl+HCOOH"	80.974872
"1324728"	449.244029	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Cl+NaCOOH"	102.956829
"915789"	459.272786	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M-H+CF3COOH"	112.985586
"1291404"	495.249464	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Cl+CF3COOH"	148.962264
"1372847"	311.274524	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H-2H2O"	-35.012676
"1387066"	329.2845	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H-H2O"	-17.0027
"287116"	693.581676	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+H"	1.007276
"682454"	1039.868876	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+H"	1.007276
"1358804"	347.294476	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H"	1.007276
"133880"	347.294476	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+2H"	2.014552
"571255"	520.438076	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+2H"	2.014552
"1041511"	174.150876	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2H"	2.014552
"211232"	231.865409333333	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+3H"	3.021828
"648610"	347.294476	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+3H"	3.021828
"1169285"	116.436342666667	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+3H"	3.021828
"430008"	710.608223	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+NH4"	18.033823
"791003"	1056.895423	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+NH4"	18.033823
"1687336"	364.321023	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+NH4"	18.033823
"334523"	355.8077495	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+H+NH4"	19.041099
"726944"	528.9513495	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+H+NH4"	19.041099
"1478576"	182.6641495	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H+NH4"	19.041099
"393487"	715.563618	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+Na"	22.989218
"754601"	1061.850818	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+Na"	22.989218
"1608537"	369.276418	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Na"	22.989218
"317481"	358.285447	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+H+Na"	23.996494
"712090"	531.429047	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+H+Na"	23.996494
"1463725"	185.141847	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H+Na"	23.996494
"1053565"	123.763656666667	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2H+Na"	25.00377
"1258037"	379.320686	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+CH3OH+H"	33.033486
"378674"	731.537558	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+K"	38.963158
"739791"	1077.824758	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+K"	38.963158
"1541723"	385.250358	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+K"	38.963158
"299265"	366.272417	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+H+K"	39.970434
"691520"	539.416017	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+H+K"	39.970434
"1445991"	193.128817	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H+K"	39.970434
"235742"	734.608226	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+ACN+H"	42.033826
"1210097"	388.321026	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+ACN+H"	42.033826
"1194708"	194.664151	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+ACN+2H"	43.041102
"191960"	737.54556	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+2Na-H"	44.97116
"630419"	1083.83276	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+2Na-H"	44.97116
"1131864"	391.25836	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2Na-H"	44.97116
"173329"	369.276418	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+2Na"	45.978436
"613253"	542.420018	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+2Na"	45.978436
"1117754"	196.132818	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2Na"	45.978436
"1399937"	131.090970666667	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H+2Na"	46.985712
"1432300"	393.299946	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H+HCOOH"	47.012746
"221992"	374.30944	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+3H2O+2H"	56.04448
"1510416"	407.35199	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+IsoProp+H"	61.06479
"410223"	377.263388	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+Na+K"	61.952376
"771832"	550.406988	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+Na+K"	61.952376
"1666707"	204.119788	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Na+K"	61.952376
"253708"	756.590168	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+ACN+Na"	64.015768
"1229210"	410.302968	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+ACN+Na"	64.015768
"1713721"	410.326493	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+NH4+HCOOH"	64.039293
"1179815"	138.418284666667	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+3Na"	68.967654
"1659199"	415.281888	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Na+HCOOH"	68.994688
"172020"	769.49344	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+2K-H"	76.91904
"611700"	1115.78064	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+2K-H"	76.91904
"1099129"	423.20624	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2K-H"	76.91904
"156308"	385.250358	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"2M+2K"	77.926316
"595137"	558.393958	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"3M+2K"	77.926316
"1082564"	212.106758	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2K"	77.926316
"1114324"	425.220792	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2K+H"	78.933592
"1350341"	425.308407	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+DMSO+H"	79.021207
"1020568"	429.347576	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2ACN+H"	83.060376
"1538085"	430.341208	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+IsoProp+Na+H"	84.054008
"1005267"	215.177426	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+2ACN+2H"	84.067652
"1599162"	431.255828	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+K+HCOOH"	84.968628
"1428104"	461.287338	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+H+CF3COOH"	115.000138
"1159851"	235.690701	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+3ACN+2H"	125.094202
"1710126"	478.313885	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+NH4+CF3COOH"	132.026685
"1648696"	483.26928	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+Na+CF3COOH"	136.98208
"1584708"	499.24322	"C10802"	"5-(Heptadec-12-enyl)resorcinol"	"C23H38O2"	"346.2872"	"M+K+CF3COOH"	152.95602
"811792"	1017.5508	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M"	0
"982044"	998.53241	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-H2O-H"	-19.01839
"63724"	677.359924	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M-3H"	-3.021828
"505470"	1016.543524	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M-3H"	-3.021828
"881449"	338.176324	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-3H"	-3.021828
"83"	1016.543524	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M-2H"	-2.014552
"454419"	1525.318924	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M-2H"	-2.014552
"831250"	507.768124	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-2H"	-2.014552
"87959"	2034.094324	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M-H"	-1.007276
"523509"	3051.645124	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M-H"	-1.007276
"906415"	1016.543524	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-H"	-1.007276
"61289"	2051.120871	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M-2H+NH4"	16.019271
"501453"	3068.671671	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M-2H+NH4"	16.019271
"879013"	1033.570071	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-2H+NH4"	16.019271
"46912"	2056.076266	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M-2H+Na"	20.974666
"486550"	3073.627066	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M-2H+Na"	20.974666
"862329"	1038.525466	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-2H+Na"	20.974666
"1629677"	1038.525466	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Na-2H"	20.974666
"108391"	1034.531863	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M-H+Cl"	33.962126
"542484"	1543.307263	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M-H+Cl"	33.962126
"930894"	525.756463	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-H+Cl"	33.962126
"270181"	2070.071002	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+Cl"	34.969402
"664785"	3087.621802	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+Cl"	34.969402
"1283753"	1052.520202	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Cl"	34.969402
"21935"	2072.050206	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M-2H+K"	36.948606
"469882"	3089.601006	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M-2H+K"	36.948606
"846596"	1054.499406	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-2H+K"	36.948606
"1567896"	1054.499406	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+K-2H"	36.948606
"958009"	1062.548994	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-H+HCOOH"	44.998194
"372900"	2080.099801	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+HCOOH-H"	44.998201
"361082"	2094.115451	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+Hac-H"	59.013851
"1508351"	1076.564651	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Hac-H"	59.013851
"974155"	1084.530951	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-H+NaCOOH"	66.980151
"125468"	1052.520202	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+2Cl"	69.938804
"565513"	1561.295602	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+2Cl"	69.938804
"1036910"	543.744802	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2Cl"	69.938804
"1256196"	1096.469685	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Br"	78.918885
"1313904"	1098.525672	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Cl+HCOOH"	80.974872
"1324838"	1120.507629	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Cl+NaCOOH"	102.956829
"915898"	1130.536386	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M-H+CF3COOH"	112.985586
"1289082"	1166.513064	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Cl+CF3COOH"	148.962264
"1368584"	982.538124	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H-2H2O"	-35.012676
"1392646"	1000.5481	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H-H2O"	-17.0027
"294520"	2036.108876	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+H"	1.007276
"684753"	3053.659676	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+H"	1.007276
"1357821"	1018.558076	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H"	1.007276
"130710"	1018.558076	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+2H"	2.014552
"569176"	1527.333476	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+2H"	2.014552
"1041257"	509.782676	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2H"	2.014552
"209156"	679.374476	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+3H"	3.021828
"647630"	1018.558076	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+3H"	3.021828
"1166121"	340.190876	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+3H"	3.021828
"429025"	2053.135423	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+NH4"	18.033823
"791478"	3070.686223	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+NH4"	18.033823
"1683075"	1035.584623	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+NH4"	18.033823
"331719"	1027.0713495	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+H+NH4"	19.041099
"726326"	1535.8467495	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+H+NH4"	19.041099
"1479780"	518.2959495	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H+NH4"	19.041099
"397366"	2058.090818	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+Na"	22.989218
"759455"	3075.641618	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+Na"	22.989218
"1606463"	1040.540018	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Na"	22.989218
"317592"	1029.549047	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+H+Na"	23.996494
"710014"	1538.324447	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+H+Na"	23.996494
"1462742"	520.773647	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H+Na"	23.996494
"1054040"	347.51819	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2H+Na"	25.00377
"1257182"	1050.584286	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+CH3OH+H"	33.033486
"377523"	2074.064758	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+K"	38.963158
"738801"	3091.615558	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+K"	38.963158
"1539918"	1056.513958	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+K"	38.963158
"298851"	1037.536017	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+H+K"	39.970434
"692164"	1546.311417	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+H+K"	39.970434
"1445856"	528.760617	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H+K"	39.970434
"236412"	2077.135426	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+ACN+H"	42.033826
"1210003"	1059.584626	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+ACN+H"	42.033826
"1194375"	530.295951	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+ACN+2H"	43.041102
"189883"	2080.07276	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+2Na-H"	44.97116
"628701"	3097.62356	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+2Na-H"	44.97116
"1131570"	1062.52196	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2Na-H"	44.97116
"173075"	1040.540018	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+2Na"	45.978436
"612860"	1549.315418	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+2Na"	45.978436
"1122237"	531.764618	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2Na"	45.978436
"1403578"	354.845504	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H+2Na"	46.985712
"1431073"	1064.563546	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H+HCOOH"	47.012746
"220766"	1045.57304	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+3H2O+2H"	56.04448
"1509435"	1078.61559	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+IsoProp+H"	61.06479
"409484"	1048.526988	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+Na+K"	61.952376
"771945"	1557.302388	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+Na+K"	61.952376
"1668642"	539.751588	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Na+K"	61.952376
"252359"	2099.117368	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+ACN+Na"	64.015768
"1227135"	1081.566568	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+ACN+Na"	64.015768
"1712980"	1081.590093	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+NH4+HCOOH"	64.039293
"1180282"	362.172818	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+3Na"	68.967654
"1663813"	1086.545488	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Na+HCOOH"	68.994688
"172128"	2112.02064	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+2K-H"	76.91904
"609385"	3129.57144	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+2K-H"	76.91904
"1097541"	1094.46984	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2K-H"	76.91904
"155571"	1056.513958	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"2M+2K"	77.926316
"593558"	1565.289358	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"3M+2K"	77.926316
"1081590"	547.738558	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2K"	77.926316
"1113703"	1096.484392	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2K+H"	78.933592
"1349843"	1096.572007	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+DMSO+H"	79.021207
"1019348"	1100.611176	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2ACN+H"	83.060376
"1537839"	1101.604808	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+IsoProp+Na+H"	84.054008
"1003312"	550.809226	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+2ACN+2H"	84.067652
"1601095"	1102.519428	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+K+HCOOH"	84.968628
"1428215"	1132.550938	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+H+CF3COOH"	115.000138
"1160691"	571.322501	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+3ACN+2H"	125.094202
"1712423"	1149.577485	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+NH4+CF3COOH"	132.026685
"1648442"	1154.53288	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+Na+CF3COOH"	136.98208
"1584818"	1170.50682	"C10803"	"Demissine"	"C50H83NO20"	"1017.5508"	"M+K+CF3COOH"	152.95602
"811902"	152.0473	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M"	0
"982154"	133.02891	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"63050"	100.357590666667	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"508862"	151.040024	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"883383"	49.6751573333333	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"1588"	151.040024	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"443709"	227.063674	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"829169"	75.016374	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"88068"	303.087324	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"522162"	455.134624	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"903245"	151.040024	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"62491"	320.113871	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"502170"	472.161171	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"879692"	168.066571	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"46169"	325.069266	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"485728"	477.116566	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"863778"	173.021966	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1629787"	173.021966	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"107408"	169.028363	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"542594"	245.052013	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"931732"	93.004713	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"268468"	339.064002	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"661615"	491.111302	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1275115"	187.016702	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"18763"	341.043206	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"470356"	493.090506	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"847196"	188.995906	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1569591"	188.995906	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"956984"	197.045494	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"375931"	349.092801	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"359811"	363.108451	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1502810"	211.061151	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"971444"	219.027451	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"124238"	187.016702	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"565137"	263.040352	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1036728"	110.993052	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1256306"	230.966185	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1312921"	233.022172	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1323855"	255.004129	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"912729"	265.032886	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1288663"	301.009564	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1368694"	117.034624	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1389479"	135.0446	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"289164"	305.101876	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"683772"	457.149176	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1356838"	153.054576	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"129726"	153.054576	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"573661"	229.078226	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1041366"	77.030926	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"210360"	102.372142666667	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"653211"	153.054576	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1165867"	51.6897093333333	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"424766"	322.128423	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"789043"	474.175723	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1682456"	170.081123	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"332922"	161.5678495	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"726074"	237.5914995	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1482080"	85.5441995	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"398572"	327.083818	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"755193"	479.131118	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1605481"	175.036518	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"317705"	164.045547	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"708061"	240.069197	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1463947"	88.021897	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1055369"	59.0170233333333	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1257196"	185.080786	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"377228"	343.057758	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"738554"	495.105058	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1540120"	191.010458	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"298794"	172.032517	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"691947"	248.056167	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1446825"	96.008867	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"237978"	346.128426	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1212631"	194.081126	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1194766"	97.544201	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"189262"	349.06576	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"629182"	501.11306	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1132329"	197.01846	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"173799"	175.036518	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"614088"	251.060168	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1116150"	99.012868	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1398621"	66.3443373333333	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1430575"	199.060046	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"220025"	180.06954	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1508560"	213.11209	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"408667"	183.023488	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"770102"	259.047138	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1665869"	106.999838	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"252346"	368.110368	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1225780"	216.063068	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1712960"	216.086593	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1180028"	73.6716513333333	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1652844"	221.041988	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"172604"	381.01364	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"610223"	533.06094	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1097289"	228.96634	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"155799"	191.010458	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"594637"	267.034108	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1081823"	114.986808	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1113452"	230.980892	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1349106"	231.068507	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1018849"	235.107676	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1538431"	236.101308	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1002332"	118.057476	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1600114"	237.015928	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1427959"	267.047438	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1161529"	138.570751	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1711440"	284.073985	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1648187"	289.02938	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1584928"	305.00332	"C10804"	"2-(Hydroxymethyl)benzoic acid;2-Hydroxymethylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"814199"	614.1847	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M"	0
"982264"	595.16631	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-H2O-H"	-19.01839
"67225"	408.449190666667	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M-3H"	-3.021828
"506785"	613.177424	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M-3H"	-3.021828
"884585"	203.720957333333	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-3H"	-3.021828
"3159"	613.177424	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M-2H"	-2.014552
"441268"	920.269774	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M-2H"	-2.014552
"825999"	306.085074	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-2H"	-2.014552
"84898"	1227.362124	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M-H"	-1.007276
"521178"	1841.546824	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M-H"	-1.007276
"906635"	613.177424	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-H"	-1.007276
"58823"	1244.388671	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M-2H+NH4"	16.019271
"496197"	1858.573371	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M-2H+NH4"	16.019271
"878379"	630.203971	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-2H+NH4"	16.019271
"42999"	1249.344066	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M-2H+Na"	20.974666
"483651"	1863.528766	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M-2H+Na"	20.974666
"859269"	635.159366	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-2H+Na"	20.974666
"1631720"	635.159366	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Na-2H"	20.974666
"107154"	631.165763	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M-H+Cl"	33.962126
"542704"	938.258113	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M-H+Cl"	33.962126
"930749"	324.073413	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-H+Cl"	33.962126
"268454"	1263.338802	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+Cl"	34.969402
"661967"	1877.523502	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+Cl"	34.969402
"1273072"	649.154102	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Cl"	34.969402
"15870"	1265.318006	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M-2H+K"	36.948606
"469010"	1879.502706	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M-2H+K"	36.948606
"848457"	651.133306	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-2H+K"	36.948606
"1571173"	651.133306	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+K-2H"	36.948606
"956732"	659.182894	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-H+HCOOH"	44.998194
"376162"	1273.367601	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+HCOOH-H"	44.998201
"360293"	1287.383251	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+Hac-H"	59.013851
"1505836"	673.198551	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Hac-H"	59.013851
"971189"	681.164851	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-H+NaCOOH"	66.980151
"124470"	649.154102	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+2Cl"	69.938804
"562935"	956.246452	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+2Cl"	69.938804
"1035745"	342.061752	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2Cl"	69.938804
"1252769"	693.103585	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Br"	78.918885
"1310844"	695.159572	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Cl+HCOOH"	80.974872
"1325058"	717.141529	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Cl+NaCOOH"	102.956829
"912472"	727.170286	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M-H+CF3COOH"	112.985586
"1289423"	763.146964	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Cl+CF3COOH"	148.962264
"1368195"	579.172024	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H-2H2O"	-35.012676
"1389589"	597.182	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H-H2O"	-17.0027
"290368"	1229.376676	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+H"	1.007276
"681696"	1843.561376	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+H"	1.007276
"1358042"	615.191976	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H"	1.007276
"129837"	615.191976	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+2H"	2.014552
"573771"	922.284326	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+2H"	2.014552
"1041476"	308.099626	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2H"	2.014552
"207190"	410.463742666667	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+3H"	3.021828
"644935"	615.191976	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+3H"	3.021828
"1165607"	205.735509333333	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+3H"	3.021828
"424874"	1246.403223	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+NH4"	18.033823
"785671"	1860.587923	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+NH4"	18.033823
"1683296"	632.218523	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+NH4"	18.033823
"331939"	623.7052495	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+H+NH4"	19.041099
"726183"	930.7975995	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+H+NH4"	19.041099
"1478542"	316.6128995	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H+NH4"	19.041099
"394309"	1251.358618	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+Na"	22.989218
"755665"	1865.543318	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+Na"	22.989218
"1603277"	637.173918	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Na"	22.989218
"314297"	626.182947	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+H+Na"	23.996494
"707393"	933.275297	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+H+Na"	23.996494
"1461503"	319.090597	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H+Na"	23.996494
"1054385"	213.062823333333	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2H+Na"	25.00377
"1257513"	647.218186	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+CH3OH+H"	33.033486
"377302"	1267.332558	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+K"	38.963158
"739028"	1881.517258	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+K"	38.963158
"1540351"	653.147858	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+K"	38.963158
"298740"	634.169917	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+H+K"	39.970434
"691935"	941.262267	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+H+K"	39.970434
"1445957"	327.077567	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H+K"	39.970434
"236505"	1270.403226	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+ACN+H"	42.033826
"1210552"	656.218526	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+ACN+H"	42.033826
"1195774"	328.612901	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+ACN+2H"	43.041102
"190464"	1273.34056	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+2Na-H"	44.97116
"629658"	1887.52526	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+2Na-H"	44.97116
"1132438"	659.15586	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2Na-H"	44.97116
"173943"	637.173918	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+2Na"	45.978436
"615289"	944.266268	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+2Na"	45.978436
"1116377"	330.081568	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2Na"	45.978436
"1398730"	220.390137333333	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H+2Na"	46.985712
"1430275"	661.197446	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H+HCOOH"	47.012746
"220857"	642.20694	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+3H2O+2H"	56.04448
"1508999"	675.24949	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+IsoProp+H"	61.06479
"408848"	645.160888	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+Na+K"	61.952376
"770169"	952.253238	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+Na+K"	61.952376
"1666341"	338.068538	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Na+K"	61.952376
"251724"	1292.385168	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+ACN+Na"	64.015768
"1225889"	678.200468	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+ACN+Na"	64.015768
"1713272"	678.223993	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+NH4+HCOOH"	64.039293
"1180137"	227.717451333333	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+3Na"	68.967654
"1652954"	683.179388	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Na+HCOOH"	68.994688
"166383"	1305.28844	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+2K-H"	76.91904
"603756"	1919.47314	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+2K-H"	76.91904
"1092645"	691.10374	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2K-H"	76.91904
"156885"	653.147858	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"2M+2K"	77.926316
"594506"	960.240208	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"3M+2K"	77.926316
"1082781"	346.055508	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2K"	77.926316
"1113316"	693.118292	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2K+H"	78.933592
"1349824"	693.205907	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+DMSO+H"	79.021207
"1018234"	697.245076	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2ACN+H"	83.060376
"1539153"	698.238708	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+IsoProp+Na+H"	84.054008
"1001713"	349.126176	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+2ACN+2H"	84.067652
"1601317"	699.153328	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+K+HCOOH"	84.968628
"1428799"	729.184838	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+H+CF3COOH"	115.000138
"1161275"	369.639451	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+3ACN+2H"	125.094202
"1712482"	746.211385	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+NH4+CF3COOH"	132.026685
"1649269"	751.16678	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+Na+CF3COOH"	136.98208
"1585038"	767.14072	"C10805"	"Leiocarposide"	"C27H34O16"	"614.1847"	"M+K+CF3COOH"	152.95602
"814309"	317.2719	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M"	0
"979094"	298.25351	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-H2O-H"	-19.01839
"68428"	210.507324	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M-3H"	-3.021828
"509081"	316.264624	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M-3H"	-3.021828
"886883"	104.750024	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-3H"	-3.021828
"12018"	316.264624	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M-2H"	-2.014552
"442099"	474.900574	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M-2H"	-2.014552
"821726"	157.628674	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-2H"	-2.014552
"85008"	633.536524	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M-H"	-1.007276
"520559"	950.808424	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M-H"	-1.007276
"906745"	316.264624	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-H"	-1.007276
"58933"	650.563071	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M-2H+NH4"	16.019271
"493027"	967.834971	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M-2H+NH4"	16.019271
"871921"	333.291171	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-2H+NH4"	16.019271
"44927"	655.518466	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M-2H+Na"	20.974666
"477197"	972.790366	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M-2H+Na"	20.974666
"856096"	338.246566	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-2H+Na"	20.974666
"1631468"	338.246566	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Na-2H"	20.974666
"108359"	334.252963	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M-H+Cl"	33.962126
"542814"	492.888913	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M-H+Cl"	33.962126
"928672"	175.617013	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-H+Cl"	33.962126
"267592"	669.513202	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+Cl"	34.969402
"660414"	986.785102	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+Cl"	34.969402
"1272814"	352.241302	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Cl"	34.969402
"16917"	671.492406	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M-2H+K"	36.948606
"468756"	988.764306	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M-2H+K"	36.948606
"847791"	354.220506	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-2H+K"	36.948606
"1571153"	354.220506	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+K-2H"	36.948606
"955750"	362.270094	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-H+HCOOH"	44.998194
"374694"	679.542001	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+HCOOH-H"	44.998201
"359673"	693.557651	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+Hac-H"	59.013851
"1504123"	376.285751	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Hac-H"	59.013851
"970569"	384.252051	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-H+NaCOOH"	66.980151
"124216"	352.241302	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+2Cl"	69.938804
"562316"	510.877252	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+2Cl"	69.938804
"1035125"	193.605352	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2Cl"	69.938804
"1253609"	396.190785	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Br"	78.918885
"1319258"	398.246772	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Cl+HCOOH"	80.974872
"1326262"	420.228729	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Cl+NaCOOH"	102.956829
"916228"	430.257486	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M-H+CF3COOH"	112.985586
"1291845"	466.234164	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Cl+CF3COOH"	148.962264
"1371102"	282.259224	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H-2H2O"	-35.012676
"1392976"	300.2692	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H-H2O"	-17.0027
"294486"	635.551076	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+H"	1.007276
"685085"	952.822976	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+H"	1.007276
"1362526"	318.279176	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H"	1.007276
"129948"	318.279176	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+2H"	2.014552
"570602"	476.915126	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+2H"	2.014552
"1040493"	159.643226	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2H"	2.014552
"208393"	212.521876	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+3H"	3.021828
"644923"	318.279176	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+3H"	3.021828
"1165354"	106.764576	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+3H"	3.021828
"425712"	652.577623	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+NH4"	18.033823
"787804"	969.849523	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+NH4"	18.033823
"1685593"	335.305723	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+NH4"	18.033823
"332412"	326.7924495	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+H+NH4"	19.041099
"725198"	485.4283995	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+H+NH4"	19.041099
"1478653"	168.1564995	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H+NH4"	19.041099
"394779"	657.533018	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+Na"	22.989218
"755776"	974.804918	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+Na"	22.989218
"1603387"	340.261118	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Na"	22.989218
"316224"	329.270147	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+H+Na"	23.996494
"708032"	487.906097	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+H+Na"	23.996494
"1462707"	170.634197	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H+Na"	23.996494
"1054617"	114.09189	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2H+Na"	25.00377
"1257994"	350.305386	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+CH3OH+H"	33.033486
"377784"	673.506958	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+K"	38.963158
"739143"	990.778858	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+K"	38.963158
"1540219"	356.235058	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+K"	38.963158
"299222"	337.257117	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+H+K"	39.970434
"692373"	495.893067	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+H+K"	39.970434
"1445747"	178.621167	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H+K"	39.970434
"239658"	676.577626	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+ACN+H"	42.033826
"1216376"	359.305726	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+ACN+H"	42.033826
"1202448"	180.156501	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+ACN+2H"	43.041102
"194225"	679.51496	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+2Na-H"	44.97116
"632323"	996.78686	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+2Na-H"	44.97116
"1133640"	362.24306	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2Na-H"	44.97116
"175837"	340.261118	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+2Na"	45.978436
"616127"	498.897068	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+2Na"	45.978436
"1116365"	181.625168	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2Na"	45.978436
"1399168"	121.419204	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H+2Na"	46.985712
"1430548"	364.284646	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H+HCOOH"	47.012746
"220643"	345.29414	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+3H2O+2H"	56.04448
"1509393"	378.33669	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+IsoProp+H"	61.06479
"409445"	348.248088	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+Na+K"	61.952376
"770563"	506.884038	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+Na+K"	61.952376
"1666208"	189.612138	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Na+K"	61.952376
"252200"	698.559568	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+ACN+Na"	64.015768
"1226040"	381.287668	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+ACN+Na"	64.015768
"1712923"	381.311193	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+NH4+HCOOH"	64.039293
"1179309"	128.746518	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+3Na"	68.967654
"1652700"	386.266588	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Na+HCOOH"	68.994688
"163212"	711.46284	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+2K-H"	76.91904
"601679"	1028.73474	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+2K-H"	76.91904
"1096033"	394.19094	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2K-H"	76.91904
"151757"	356.235058	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"2M+2K"	77.926316
"595463"	514.871008	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"3M+2K"	77.926316
"1082040"	197.599108	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2K"	77.926316
"1112336"	396.205492	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2K+H"	78.933592
"1348720"	396.293107	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+DMSO+H"	79.021207
"1018949"	400.332276	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2ACN+H"	83.060376
"1539260"	401.325908	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+IsoProp+Na+H"	84.054008
"1002915"	200.669776	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+2ACN+2H"	84.067652
"1601791"	402.240528	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+K+HCOOH"	84.968628
"1429593"	432.272038	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+H+CF3COOH"	115.000138
"1161627"	221.183051	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+3ACN+2H"	125.094202
"1711660"	449.298585	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+NH4+CF3COOH"	132.026685
"1649379"	454.25398	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+Na+CF3COOH"	136.98208
"1585148"	470.22792	"C10806"	"Funtumine"	"C21H35NO"	"317.2719"	"M+K+CF3COOH"	152.95602
"816908"	509.2989	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M"	0
"989047"	490.28051	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-H2O-H"	-19.01839
"76195"	338.525324	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M-3H"	-3.021828
"510288"	508.291624	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M-3H"	-3.021828
"886996"	168.759024	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-3H"	-3.021828
"7756"	508.291624	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M-2H"	-2.014552
"446225"	762.941074	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M-2H"	-2.014552
"826213"	253.642174	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-2H"	-2.014552
"81838"	1017.590524	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M-H"	-1.007276
"532335"	1526.889424	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M-H"	-1.007276
"906855"	508.291624	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-H"	-1.007276
"59043"	1034.617071	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M-2H+NH4"	16.019271
"501522"	1543.915971	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M-2H+NH4"	16.019271
"878839"	525.318171	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-2H+NH4"	16.019271
"45401"	1039.572466	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M-2H+Na"	20.974666
"476214"	1548.871366	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M-2H+Na"	20.974666
"857299"	530.273566	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-2H+Na"	20.974666
"1631210"	530.273566	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Na-2H"	20.974666
"106644"	526.279963	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M-H+Cl"	33.962126
"547296"	780.929413	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M-H+Cl"	33.962126
"930970"	271.630513	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-H+Cl"	33.962126
"270621"	1053.567202	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+Cl"	34.969402
"661218"	1562.866102	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+Cl"	34.969402
"1276538"	544.268302	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Cl"	34.969402
"16052"	1055.546406	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M-2H+K"	36.948606
"469962"	1564.845306	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M-2H+K"	36.948606
"847659"	546.247506	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-2H+K"	36.948606
"1570784"	546.247506	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+K-2H"	36.948606
"956588"	554.297094	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-H+HCOOH"	44.998194
"376266"	1063.596001	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+HCOOH-H"	44.998201
"360149"	1077.611651	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+Hac-H"	59.013851
"1506428"	568.312751	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Hac-H"	59.013851
"972141"	576.279051	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-H+NaCOOH"	66.980151
"123598"	544.268302	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+2Cl"	69.938804
"563524"	798.917752	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+2Cl"	69.938804
"1034871"	289.618852	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2Cl"	69.938804
"1255790"	588.217785	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Br"	78.918885
"1313250"	590.273772	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Cl+HCOOH"	80.974872
"1331840"	612.255729	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Cl+NaCOOH"	102.956829
"920712"	622.284486	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M-H+CF3COOH"	112.985586
"1296327"	658.261164	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Cl+CF3COOH"	148.962264
"1372305"	474.286224	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H-2H2O"	-35.012676
"1390537"	492.2962	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H-H2O"	-17.0027
"293868"	1019.605076	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+H"	1.007276
"685928"	1528.903976	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+H"	1.007276
"1362276"	510.306176	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H"	1.007276
"133339"	510.306176	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+2H"	2.014552
"572899"	764.955626	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+2H"	2.014552
"1046072"	255.656726	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2H"	2.014552
"215798"	340.539876	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+3H"	3.021828
"653540"	510.306176	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+3H"	3.021828
"1164373"	170.773576	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+3H"	3.021828
"425096"	1036.631623	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+NH4"	18.033823
"787307"	1545.930523	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+NH4"	18.033823
"1685703"	527.332723	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+NH4"	18.033823
"332156"	518.8194495	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+H+NH4"	19.041099
"724578"	773.4688995	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+H+NH4"	19.041099
"1480220"	264.1699995	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H+NH4"	19.041099
"396348"	1041.587018	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+Na"	22.989218
"758073"	1550.885918	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+Na"	22.989218
"1607999"	532.288118	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Na"	22.989218
"318036"	521.297147	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+H+Na"	23.996494
"709364"	775.946597	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+H+Na"	23.996494
"1463306"	266.647697	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H+Na"	23.996494
"1054606"	178.10089	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2H+Na"	25.00377
"1259927"	542.332386	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+CH3OH+H"	33.033486
"378869"	1057.560958	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+K"	38.963158
"739619"	1566.859858	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+K"	38.963158
"1542279"	548.262058	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+K"	38.963158
"302371"	529.284117	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+H+K"	39.970434
"692973"	783.933567	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+H+K"	39.970434
"1447158"	274.634667	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H+K"	39.970434
"242686"	1060.631626	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+ACN+H"	42.033826
"1218675"	551.332726	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+ACN+H"	42.033826
"1196362"	276.170001	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+ACN+2H"	43.041102
"194336"	1063.56896	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+2Na-H"	44.97116
"632800"	1572.86786	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+2Na-H"	44.97116
"1134845"	554.27006	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2Na-H"	44.97116
"174980"	532.288118	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+2Na"	45.978436
"615629"	786.937568	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+2Na"	45.978436
"1117573"	277.638668	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2Na"	45.978436
"1405112"	185.428204	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H+2Na"	46.985712
"1430536"	556.311646	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H+HCOOH"	47.012746
"220714"	537.32114	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+3H2O+2H"	56.04448
"1509020"	570.36369	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+IsoProp+H"	61.06479
"409559"	540.275088	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+Na+K"	61.952376
"770682"	794.924538	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+Na+K"	61.952376
"1666528"	285.625638	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Na+K"	61.952376
"251584"	1082.613568	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+ACN+Na"	64.015768
"1226117"	573.314668	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+ACN+Na"	64.015768
"1715002"	573.338193	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+NH4+HCOOH"	64.039293
"1179023"	192.755518	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+3Na"	68.967654
"1650660"	578.293588	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Na+HCOOH"	68.994688
"164416"	1095.51684	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+2K-H"	76.91904
"600330"	1604.81574	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+2K-H"	76.91904
"1098332"	586.21794	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2K-H"	76.91904
"151867"	548.262058	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"2M+2K"	77.926316
"596497"	802.911508	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"3M+2K"	77.926316
"1083241"	293.612608	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2K"	77.926316
"1114014"	588.232492	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2K+H"	78.933592
"1347737"	588.320107	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+DMSO+H"	79.021207
"1018574"	592.359276	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2ACN+H"	83.060376
"1538637"	593.352908	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+IsoProp+Na+H"	84.054008
"1001569"	296.683276	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+2ACN+2H"	84.067652
"1599715"	594.267528	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+K+HCOOH"	84.968628
"1427556"	624.299038	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+H+CF3COOH"	115.000138
"1160766"	317.196551	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+3ACN+2H"	125.094202
"1710677"	641.325585	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+NH4+CF3COOH"	132.026685
"1647425"	646.28098	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+Na+CF3COOH"	136.98208
"1585258"	662.25492	"C10807"	"Germine"	"C27H43NO8"	"509.2989"	"M+K+CF3COOH"	152.95602
"813436"	429.3243	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M"	0
"978219"	410.30591	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-H2O-H"	-19.01839
"70835"	285.208924	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M-3H"	-3.021828
"506022"	428.317024	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M-3H"	-3.021828
"889290"	142.100824	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-3H"	-3.021828
"3491"	428.317024	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M-2H"	-2.014552
"440864"	642.979174	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M-2H"	-2.014552
"819758"	213.654874	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-2H"	-2.014552
"81948"	857.641324	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M-H"	-1.007276
"529163"	1286.965624	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M-H"	-1.007276
"906965"	428.317024	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-H"	-1.007276
"59153"	874.667871	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M-2H+NH4"	16.019271
"496527"	1303.992171	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M-2H+NH4"	16.019271
"871048"	445.343571	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-2H+NH4"	16.019271
"42232"	879.623266	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M-2H+Na"	20.974666
"475230"	1308.947566	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M-2H+Na"	20.974666
"860692"	450.298966	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-2H+Na"	20.974666
"1631320"	450.298966	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Na-2H"	20.974666
"103473"	446.305363	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M-H+Cl"	33.962126
"535500"	660.967513	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M-H+Cl"	33.962126
"929986"	231.643213	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-H+Cl"	33.962126
"267687"	893.618002	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+Cl"	34.969402
"662056"	1322.942302	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+Cl"	34.969402
"1276647"	464.293702	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Cl"	34.969402
"18112"	895.597206	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M-2H+K"	36.948606
"469707"	1324.921506	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M-2H+K"	36.948606
"847525"	466.272906	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-2H+K"	36.948606
"1571145"	466.272906	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+K-2H"	36.948606
"957790"	474.322494	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-H+HCOOH"	44.998194
"376374"	903.646801	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+HCOOH-H"	44.998201
"360381"	917.662451	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+Hac-H"	59.013851
"1506901"	488.338151	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Hac-H"	59.013851
"972981"	496.304451	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-H+NaCOOH"	66.980151
"124074"	464.293702	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+2Cl"	69.938804
"564730"	678.955852	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+2Cl"	69.938804
"1036810"	249.631552	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2Cl"	69.938804
"1254929"	508.243185	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Br"	78.918885
"1315547"	510.299172	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Cl+HCOOH"	80.974872
"1335112"	532.281129	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Cl+NaCOOH"	102.956829
"923009"	542.309886	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M-H+CF3COOH"	112.985586
"1296438"	578.286564	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Cl+CF3COOH"	148.962264
"1374600"	394.311624	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H-2H2O"	-35.012676
"1393199"	412.3216	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H-H2O"	-17.0027
"292885"	859.655876	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+H"	1.007276
"687861"	1288.980176	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+H"	1.007276
"1363845"	430.331576	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H"	1.007276
"134542"	430.331576	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+2H"	2.014552
"575561"	644.993726	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+2H"	2.014552
"1047641"	215.669426	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2H"	2.014552
"212628"	287.223476	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+3H"	3.021828
"653651"	430.331576	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+3H"	3.021828
"1169588"	144.115376	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+3H"	3.021828
"425207"	876.682423	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+NH4"	18.033823
"793857"	1306.006723	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+NH4"	18.033823
"1685813"	447.358123	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+NH4"	18.033823
"334091"	438.8448495	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+H+NH4"	19.041099
"726514"	653.5069995	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+H+NH4"	19.041099
"1483613"	224.1826995	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H+NH4"	19.041099
"395732"	881.637818	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+Na"	22.989218
"758912"	1310.962118	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+Na"	22.989218
"1610296"	452.313518	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Na"	22.989218
"316081"	441.322547	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+H+Na"	23.996494
"714941"	655.984697	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+H+Na"	23.996494
"1463295"	226.660397	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H+Na"	23.996494
"1055446"	151.44269	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2H+Na"	25.00377
"1259312"	462.357786	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+CH3OH+H"	33.033486
"380076"	897.611758	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+K"	38.963158
"741434"	1326.936058	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+K"	38.963158
"1542757"	468.287458	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+K"	38.963158
"302484"	449.309517	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+H+K"	39.970434
"693813"	663.971667	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+H+K"	39.970434
"1446174"	234.647367	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H+K"	39.970434
"242799"	900.682426	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+ACN+H"	42.033826
"1210765"	471.358126	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+ACN+H"	42.033826
"1197202"	236.182701	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+ACN+2H"	43.041102
"194446"	903.61976	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+2Na-H"	44.97116
"630358"	1332.94406	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+2Na-H"	44.97116
"1132527"	474.29546	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2Na-H"	44.97116
"174846"	452.313518	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+2Na"	45.978436
"614657"	666.975668	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+2Na"	45.978436
"1115976"	237.651368	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2Na"	45.978436
"1399265"	158.770004	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H+2Na"	46.985712
"1429911"	476.337046	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H+HCOOH"	47.012746
"220172"	457.34654	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+3H2O+2H"	56.04448
"1508721"	490.38909	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+IsoProp+H"	61.06479
"408693"	460.300488	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+Na+K"	61.952376
"770427"	674.962638	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+Na+K"	61.952376
"1666637"	245.638338	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Na+K"	61.952376
"251533"	922.664368	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+ACN+Na"	64.015768
"1227325"	493.340068	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+ACN+Na"	64.015768
"1714383"	493.363593	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+NH4+HCOOH"	64.039293
"1178768"	166.097318	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+3Na"	68.967654
"1650853"	498.318988	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Na+HCOOH"	68.994688
"161610"	935.56764	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+2K-H"	76.91904
"599709"	1364.89194	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+2K-H"	76.91904
"1096255"	506.24334	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2K-H"	76.91904
"150884"	468.287458	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"2M+2K"	77.926316
"596281"	682.949608	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"3M+2K"	77.926316
"1083956"	253.625308	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2K"	77.926316
"1112542"	508.257892	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2K+H"	78.933592
"1344551"	508.345507	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+DMSO+H"	79.021207
"1020260"	512.384676	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2ACN+H"	83.060376
"1538868"	513.378308	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+IsoProp+Na+H"	84.054008
"1003988"	256.695976	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+2ACN+2H"	84.067652
"1601643"	514.292928	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+K+HCOOH"	84.968628
"1427666"	544.324438	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+H+CF3COOH"	115.000138
"1159054"	277.209251	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+3ACN+2H"	125.094202
"1710787"	561.350985	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+NH4+CF3COOH"	132.026685
"1649601"	566.30638	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+Na+CF3COOH"	136.98208
"1585368"	582.28032	"C10808"	"Imperialine;Cevan-6-one 320-dihydroxy- (3-beta5-alpha17-beta)-;Kashmirine;Peiminine"	"C27H43NO3"	"429.3243"	"M+K+CF3COOH"	152.95602
"813546"	320.2715	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M"	0
"979423"	301.25311	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-H2O-H"	-19.01839
"67665"	212.507057333333	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M-3H"	-3.021828
"505402"	319.264224	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M-3H"	-3.021828
"889400"	105.749890666667	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-3H"	-3.021828
"4694"	319.264224	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M-2H"	-2.014552
"444254"	479.399974	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M-2H"	-2.014552
"820962"	159.128474	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-2H"	-2.014552
"82058"	639.535724	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M-H"	-1.007276
"528180"	959.807224	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M-H"	-1.007276
"908168"	319.264224	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-H"	-1.007276
"59263"	656.562271	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M-2H+NH4"	16.019271
"496637"	976.833771	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M-2H+NH4"	16.019271
"873344"	336.290771	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-2H+NH4"	16.019271
"39062"	661.517666	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M-2H+Na"	20.974666
"476433"	981.789166	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M-2H+Na"	20.974666
"856428"	341.246166	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-2H+Na"	20.974666
"1627056"	341.246166	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Na-2H"	20.974666
"101396"	337.252563	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M-H+Cl"	33.962126
"534596"	497.388313	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M-H+Cl"	33.962126
"932282"	177.116813	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-H+Cl"	33.962126
"268652"	675.512402	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+Cl"	34.969402
"665445"	995.783902	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+Cl"	34.969402
"1275663"	355.240902	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Cl"	34.969402
"17247"	677.491606	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M-2H+K"	36.948606
"469452"	997.763106	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M-2H+K"	36.948606
"847253"	357.220106	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-2H+K"	36.948606
"1571120"	357.220106	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+K-2H"	36.948606
"958143"	365.269694	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-H+HCOOH"	44.998194
"376481"	685.541201	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+HCOOH-H"	44.998201
"360367"	699.556851	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+Hac-H"	59.013851
"1506643"	379.285351	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Hac-H"	59.013851
"971993"	387.251651	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-H+NaCOOH"	66.980151
"124180"	355.240902	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+2Cl"	69.938804
"565203"	515.376652	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+2Cl"	69.938804
"1034361"	195.105152	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2Cl"	69.938804
"1256491"	399.190385	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Br"	78.918885
"1315657"	401.246372	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Cl+HCOOH"	80.974872
"1332790"	423.228329	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Cl+NaCOOH"	102.956829
"923119"	433.257086	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M-H+CF3COOH"	112.985586
"1296548"	469.233764	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Cl+CF3COOH"	148.962264
"1373617"	285.258824	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H-2H2O"	-35.012676
"1387841"	303.2688	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H-H2O"	-17.0027
"290808"	641.550276	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+H"	1.007276
"681043"	961.821776	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+H"	1.007276
"1355205"	321.278776	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H"	1.007276
"130278"	321.278776	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+2H"	2.014552
"572026"	481.414526	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+2H"	2.014552
"1041918"	161.143026	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2H"	2.014552
"212008"	214.521609333333	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+3H"	3.021828
"648294"	321.278776	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+3H"	3.021828
"1165324"	107.764442666667	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+3H"	3.021828
"427503"	658.576823	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+NH4"	18.033823
"790687"	978.848323	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+NH4"	18.033823
"1687015"	338.305323	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+NH4"	18.033823
"335294"	329.7920495	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+H+NH4"	19.041099
"723420"	489.9277995	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+H+NH4"	19.041099
"1480443"	169.6562995	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H+NH4"	19.041099
"396206"	663.532218	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+Na"	22.989218
"761209"	983.803718	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+Na"	22.989218
"1603846"	343.260718	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Na"	22.989218
"319350"	332.269747	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+H+Na"	23.996494
"708490"	492.405497	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+H+Na"	23.996494
"1465591"	172.133997	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H+Na"	23.996494
"1057742"	115.091756666667	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2H+Na"	25.00377
"1258331"	353.304986	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+CH3OH+H"	33.033486
"379093"	679.506158	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+K"	38.963158
"741178"	999.777658	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+K"	38.963158
"1542138"	359.234658	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+K"	38.963158
"303687"	340.256717	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+H+K"	39.970434
"692102"	500.392467	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+H+K"	39.970434
"1445920"	180.120967	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H+K"	39.970434
"236136"	682.576826	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+ACN+H"	42.033826
"1209992"	362.305326	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+ACN+H"	42.033826
"1195123"	181.656301	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+ACN+2H"	43.041102
"193463"	685.51416	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+2Na-H"	44.97116
"631194"	1005.78566	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+2Na-H"	44.97116
"1134334"	365.24266	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2Na-H"	44.97116
"175076"	343.260718	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+2Na"	45.978436
"614639"	503.396468	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+2Na"	45.978436
"1115920"	183.124968	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2Na"	45.978436
"1399132"	122.419070666667	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H+2Na"	46.985712
"1430061"	367.284246	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H+HCOOH"	47.012746
"220367"	348.29374	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+3H2O+2H"	56.04448
"1508997"	381.33629	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+IsoProp+H"	61.06479
"410150"	351.247688	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+Na+K"	61.952376
"770131"	511.383438	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+Na+K"	61.952376
"1666181"	191.111938	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Na+K"	61.952376
"251522"	704.558768	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+ACN+Na"	64.015768
"1228894"	384.287268	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+ACN+Na"	64.015768
"1715954"	384.310793	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+NH4+HCOOH"	64.039293
"1179122"	129.746384666667	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+3Na"	68.967654
"1651207"	389.266188	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Na+HCOOH"	68.994688
"158439"	717.46204	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+2K-H"	76.91904
"599091"	1037.73354	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+2K-H"	76.91904
"1090898"	397.19054	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2K-H"	76.91904
"146621"	359.234658	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"2M+2K"	77.926316
"596959"	519.370408	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"3M+2K"	77.926316
"1084068"	199.098908	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2K"	77.926316
"1112652"	399.205092	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2K+H"	78.933592
"1341382"	399.292707	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+DMSO+H"	79.021207
"1009910"	403.331876	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2ACN+H"	83.060376
"1539343"	404.325508	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+IsoProp+Na+H"	84.054008
"1003975"	202.169576	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+2ACN+2H"	84.067652
"1601752"	405.240128	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+K+HCOOH"	84.968628
"1427776"	435.271638	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+H+CF3COOH"	115.000138
"1161350"	222.682851	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+3ACN+2H"	125.094202
"1710897"	452.298185	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+NH4+CF3COOH"	132.026685
"1649105"	457.25358	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+Na+CF3COOH"	136.98208
"1585478"	473.22752	"C10809"	"5-Pentadecylresorcinol;Cardol"	"C21H36O2"	"320.2715"	"M+K+CF3COOH"	152.95602
"812563"	345.3032	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M"	0
"976253"	326.28481	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-H2O-H"	-19.01839
"68868"	229.194857333333	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M-3H"	-3.021828
"509521"	344.295924	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M-3H"	-3.021828
"889509"	114.093790666667	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-3H"	-3.021828
"5897"	344.295924	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M-2H"	-2.014552
"447645"	516.947524	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M-2H"	-2.014552
"822166"	171.644324	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-2H"	-2.014552
"83261"	689.599124	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M-H"	-1.007276
"526103"	1034.902324	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M-H"	-1.007276
"906821"	344.295924	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-H"	-1.007276
"58280"	706.625671	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M-2H+NH4"	16.019271
"493467"	1051.928871	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M-2H+NH4"	16.019271
"867988"	361.322471	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-2H+NH4"	16.019271
"39172"	711.581066	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M-2H+Na"	20.974666
"472170"	1056.884266	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M-2H+Na"	20.974666
"854349"	366.277866	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-2H+Na"	20.974666
"1627165"	366.277866	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Na-2H"	20.974666
"98226"	362.284263	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M-H+Cl"	33.962126
"534335"	534.935863	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M-H+Cl"	33.962126
"929111"	189.632663	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-H+Cl"	33.962126
"272040"	725.575802	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+Cl"	34.969402
"663368"	1070.879002	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+Cl"	34.969402
"1276868"	380.272602	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Cl"	34.969402
"16139"	727.555006	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M-2H+K"	36.948606
"467740"	1072.858206	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M-2H+K"	36.948606
"845177"	382.251806	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-2H+K"	36.948606
"1570369"	382.251806	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+K-2H"	36.948606
"956551"	390.301394	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-H+HCOOH"	44.998194
"375131"	735.604601	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+HCOOH-H"	44.998201
"357556"	749.620251	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+Hac-H"	59.013851
"1498003"	404.317051	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Hac-H"	59.013851
"965543"	412.283351	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-H+NaCOOH"	66.980151
"114449"	380.272602	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+2Cl"	69.938804
"555102"	552.924202	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+2Cl"	69.938804
"1023903"	207.621002	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2Cl"	69.938804
"1245667"	424.222085	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Br"	78.918885
"1315769"	426.278072	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Cl+HCOOH"	80.974872
"1326705"	448.260029	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Cl+NaCOOH"	102.956829
"916670"	458.288786	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M-H+CF3COOH"	112.985586
"1292284"	494.265464	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Cl+CF3COOH"	148.962264
"1373730"	310.290524	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H-2H2O"	-35.012676
"1387950"	328.3005	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H-H2O"	-17.0027
"290918"	691.613676	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+H"	1.007276
"682246"	1036.916876	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+H"	1.007276
"1358595"	346.310476	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H"	1.007276
"130387"	346.310476	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+2H"	2.014552
"571042"	518.962076	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+2H"	2.014552
"1043122"	173.658876	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2H"	2.014552
"206889"	231.209409333333	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+3H"	3.021828
"646217"	346.310476	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+3H"	3.021828
"1166527"	116.108342666667	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+3H"	3.021828
"427613"	708.640223	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+NH4"	18.033823
"790797"	1053.943423	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+NH4"	18.033823
"1687126"	363.337023	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+NH4"	18.033823
"335404"	354.8237495	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+H+NH4"	19.041099
"726734"	527.4753495	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+H+NH4"	19.041099
"1480188"	182.1721495	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H+NH4"	19.041099
"402512"	713.595618	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+Na"	22.989218
"759134"	1058.898818	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+Na"	22.989218
"1607236"	368.292418	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Na"	22.989218
"322740"	357.301447	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+H+Na"	23.996494
"710787"	529.953047	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+H+Na"	23.996494
"1465701"	184.649847	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H+Na"	23.996494
"1057853"	123.435656666667	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2H+Na"	25.00377
"1261721"	378.336686	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+CH3OH+H"	33.033486
"380296"	729.569558	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+K"	38.963158
"743475"	1074.872758	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+K"	38.963158
"1543342"	384.266358	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+K"	38.963158
"300884"	365.288417	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+H+K"	39.970434
"693671"	537.940017	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+H+K"	39.970434
"1446031"	192.636817	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H+K"	39.970434
"236449"	732.640226	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+ACN+H"	42.033826
"1210619"	387.337026	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+ACN+H"	42.033826
"1195233"	194.172151	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+ACN+2H"	43.041102
"193573"	735.57756	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+2Na-H"	44.97116
"631311"	1080.88076	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+2Na-H"	44.97116
"1132629"	390.27436	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2Na-H"	44.97116
"174822"	368.292418	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+2Na"	45.978436
"614749"	540.944018	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+2Na"	45.978436
"1115709"	195.640818	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2Na"	45.978436
"1398664"	130.762970666667	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H+2Na"	46.985712
"1429968"	392.315946	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H+HCOOH"	47.012746
"220316"	373.32544	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+3H2O+2H"	56.04448
"1510201"	406.36799	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+IsoProp+H"	61.06479
"410614"	376.279388	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+Na+K"	61.952376
"770363"	548.930988	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+Na+K"	61.952376
"1666126"	203.627788	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Na+K"	61.952376
"252078"	754.622168	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+ACN+Na"	64.015768
"1226044"	409.318968	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+ACN+Na"	64.015768
"1717158"	409.342493	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+NH4+HCOOH"	64.039293
"1179313"	138.090284666667	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+3Na"	68.967654
"1652410"	414.297888	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Na+HCOOH"	68.994688
"159643"	767.52544	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+2K-H"	76.91904
"599931"	1112.82864	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+2K-H"	76.91904
"1091008"	422.22224	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2K-H"	76.91904
"146731"	384.266358	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"2M+2K"	77.926316
"596379"	556.917958	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"3M+2K"	77.926316
"1083689"	211.614758	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2K"	77.926316
"1111669"	424.236792	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2K+H"	78.933592
"1342585"	424.324407	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+DMSO+H"	79.021207
"1010020"	428.363576	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2ACN+H"	83.060376
"1538724"	429.357208	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+IsoProp+Na+H"	84.054008
"1005178"	214.685426	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+2ACN+2H"	84.067652
"1601498"	430.271828	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+K+HCOOH"	84.968628
"1426793"	460.303338	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+H+CF3COOH"	115.000138
"1162709"	235.198701	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+3ACN+2H"	125.094202
"1708820"	477.329885	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+NH4+CF3COOH"	132.026685
"1649703"	482.28528	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+Na+CF3COOH"	136.98208
"1585588"	498.25922	"C10810"	"Irehine"	"C23H39NO"	"345.3032"	"M+K+CF3COOH"	152.95602
"816482"	425.293	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M"	0
"985111"	406.27461	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-H2O-H"	-19.01839
"72259"	282.521390666667	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M-3H"	-3.021828
"510727"	424.285724	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M-3H"	-3.021828
"889621"	140.757057333333	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-3H"	-3.021828
"9288"	424.285724	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M-2H"	-2.014552
"449943"	636.932224	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M-2H"	-2.014552
"824464"	211.639224	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-2H"	-2.014552
"83371"	849.578724	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M-H"	-1.007276
"526213"	1274.871724	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M-H"	-1.007276
"907295"	424.285724	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-H"	-1.007276
"58027"	866.605271	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M-2H+NH4"	16.019271
"493577"	1291.898271	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M-2H+NH4"	16.019271
"871379"	441.312271	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-2H+NH4"	16.019271
"39282"	871.560666	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M-2H+Na"	20.974666
"474102"	1296.853666	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M-2H+Na"	20.974666
"859926"	446.267666	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-2H+Na"	20.974666
"1630552"	446.267666	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Na-2H"	20.974666
"98336"	442.274063	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M-H+Cl"	33.962126
"536802"	654.920563	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M-H+Cl"	33.962126
"932501"	229.627563	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-H+Cl"	33.962126
"276524"	885.555402	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+Cl"	34.969402
"664571"	1310.848402	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+Cl"	34.969402
"1276977"	460.262402	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Cl"	34.969402
"16615"	887.534606	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M-2H+K"	36.948606
"469673"	1312.827606	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M-2H+K"	36.948606
"847838"	462.241606	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-2H+K"	36.948606
"1569508"	462.241606	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+K-2H"	36.948606
"957269"	470.291194	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-H+HCOOH"	44.998194
"376336"	895.584201	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+HCOOH-H"	44.998201
"357666"	909.599851	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+Hac-H"	59.013851
"1501392"	484.306851	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Hac-H"	59.013851
"973674"	492.273151	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-H+NaCOOH"	66.980151
"124042"	460.262402	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+2Cl"	69.938804
"565297"	672.908902	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+2Cl"	69.938804
"1036776"	247.615902	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2Cl"	69.938804
"1255619"	504.211885	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Br"	78.918885
"1318067"	506.267872	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Cl+HCOOH"	80.974872
"1334836"	528.249829	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Cl+NaCOOH"	102.956829
"922612"	538.278586	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M-H+CF3COOH"	112.985586
"1296768"	574.255264	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Cl+CF3COOH"	148.962264
"1370556"	390.280324	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H-2H2O"	-35.012676
"1393530"	408.2903	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H-H2O"	-17.0027
"295405"	851.593276	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+H"	1.007276
"688190"	1276.886276	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+H"	1.007276
"1362716"	426.300276	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H"	1.007276
"134873"	426.300276	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+2H"	2.014552
"574432"	638.946776	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+2H"	2.014552
"1043231"	213.653776	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2H"	2.014552
"210037"	284.535942666667	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+3H"	3.021828
"650701"	426.300276	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+3H"	3.021828
"1166638"	142.771609333333	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+3H"	3.021828
"432097"	868.619823	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+NH4"	18.033823
"794187"	1293.912823	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+NH4"	18.033823
"1691611"	443.326823	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+NH4"	18.033823
"336608"	434.8135495	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+H+NH4"	19.041099
"726843"	647.4600495	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+H+NH4"	19.041099
"1481026"	222.1670495	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H+NH4"	19.041099
"397518"	873.575218	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+Na"	22.989218
"757054"	1298.868218	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+Na"	22.989218
"1606251"	448.282218	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Na"	22.989218
"319568"	437.291247	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+H+Na"	23.996494
"708711"	649.937747	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+H+Na"	23.996494
"1465810"	224.644747	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H+Na"	23.996494
"1057964"	150.098923333333	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2H+Na"	25.00377
"1266206"	458.326486	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+CH3OH+H"	33.033486
"383688"	889.549158	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+K"	38.963158
"744682"	1314.842158	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+K"	38.963158
"1544547"	464.256158	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+K"	38.963158
"303910"	445.278217	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+H+K"	39.970434
"696334"	657.924717	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+H+K"	39.970434
"1449060"	232.631717	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H+K"	39.970434
"236566"	892.619826	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+ACN+H"	42.033826
"1211462"	467.326826	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+ACN+H"	42.033826
"1196439"	234.167051	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+ACN+2H"	43.041102
"193683"	895.55716	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+2Na-H"	44.97116
"633244"	1320.85016	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+2Na-H"	44.97116
"1134198"	470.26416	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2Na-H"	44.97116
"174328"	448.282218	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+2Na"	45.978436
"614863"	660.928718	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+2Na"	45.978436
"1115686"	235.635718	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2Na"	45.978436
"1399232"	157.426237333333	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H+2Na"	46.985712
"1432200"	472.305746	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H+HCOOH"	47.012746
"220063"	453.31524	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+3H2O+2H"	56.04448
"1508778"	486.35779	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+IsoProp+H"	61.06479
"408691"	456.269188	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+Na+K"	61.952376
"778294"	668.915688	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+Na+K"	61.952376
"1666117"	243.622688	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Na+K"	61.952376
"252759"	914.601768	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+ACN+Na"	64.015768
"1227290"	489.308768	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+ACN+Na"	64.015768
"1719457"	489.332293	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+NH4+HCOOH"	64.039293
"1184810"	164.753551333333	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+3Na"	68.967654
"1650697"	494.287688	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Na+HCOOH"	68.994688
"160483"	927.50504	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+2K-H"	76.91904
"600041"	1352.79804	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+2K-H"	76.91904
"1091118"	502.21204	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2K-H"	76.91904
"146839"	464.256158	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"2M+2K"	77.926316
"595150"	676.902658	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"3M+2K"	77.926316
"1081852"	251.609658	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2K"	77.926316
"1111779"	504.226592	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2K+H"	78.933592
"1344882"	504.314207	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+DMSO+H"	79.021207
"1011223"	508.353376	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2ACN+H"	83.060376
"1537379"	509.347008	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+IsoProp+Na+H"	84.054008
"1002736"	254.680326	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+2ACN+2H"	84.067652
"1599785"	510.261628	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+K+HCOOH"	84.968628
"1427997"	540.293138	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+H+CF3COOH"	115.000138
"1161567"	275.193601	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+3ACN+2H"	125.094202
"1712089"	557.319685	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+NH4+CF3COOH"	132.026685
"1649684"	562.27508	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+Na+CF3COOH"	136.98208
"1585698"	578.24902	"C10811"	"Jervine"	"C27H39NO3"	"425.293"	"M+K+CF3COOH"	152.95602
"813876"	150.0317	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M"	0
"976472"	131.01331	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-H2O-H"	-19.01839
"65809"	99.0138573333333	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M-3H"	-3.021828
"503909"	149.024424	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M-3H"	-3.021828
"887543"	49.0032906666667	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-3H"	-3.021828
"7210"	149.024424	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M-2H"	-2.014552
"447864"	224.040274	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M-2H"	-2.014552
"823482"	74.008574	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-2H"	-2.014552
"83481"	299.056124	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M-H"	-1.007276
"521947"	449.087824	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M-H"	-1.007276
"898778"	149.024424	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-H"	-1.007276
"56312"	316.082671	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M-2H+NH4"	16.019271
"490407"	466.114371	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M-2H+NH4"	16.019271
"871490"	166.050971	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-2H+NH4"	16.019271
"36112"	321.038066	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M-2H+Na"	20.974666
"474577"	471.069766	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M-2H+Na"	20.974666
"855659"	171.006366	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-2H+Na"	20.974666
"1627379"	171.006366	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Na-2H"	20.974666
"103908"	167.012763	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M-H+Cl"	33.962126
"540189"	242.028613	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M-H+Cl"	33.962126
"931517"	91.996913	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-H+Cl"	33.962126
"271531"	335.032802	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+Cl"	34.969402
"667961"	485.064502	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+Cl"	34.969402
"1278177"	185.001102	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Cl"	34.969402
"19639"	337.012006	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M-2H+K"	36.948606
"470634"	487.043706	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M-2H+K"	36.948606
"842477"	186.980306	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-2H+K"	36.948606
"1570223"	186.980306	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+K-2H"	36.948606
"956404"	195.029894	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-H+HCOOH"	44.998194
"376830"	345.061601	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+HCOOH-H"	44.998201
"361240"	359.077251	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+Hac-H"	59.013851
"1507213"	209.045551	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Hac-H"	59.013851
"972571"	217.011851	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-H+NaCOOH"	66.980151
"123787"	185.001102	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+2Cl"	69.938804
"563711"	260.016952	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+2Cl"	69.938804
"1035792"	109.985252	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2Cl"	69.938804
"1254275"	228.950585	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Br"	78.918885
"1318183"	231.006572	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Cl+HCOOH"	80.974872
"1331663"	252.988529	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Cl+NaCOOH"	102.956829
"921994"	263.017286	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M-H+CF3COOH"	112.985586
"1297971"	298.993964	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Cl+CF3COOH"	148.962264
"1372124"	115.019024	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H-2H2O"	-35.012676
"1393274"	133.029	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H-H2O"	-17.0027
"294056"	301.070676	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+H"	1.007276
"686475"	451.102376	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+H"	1.007276
"1363190"	151.038976	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H"	1.007276
"136441"	151.038976	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+2H"	2.014552
"574542"	226.054826	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+2H"	2.014552
"1042248"	76.023126	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2H"	2.014552
"210147"	101.028409333333	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+3H"	3.021828
"654091"	151.038976	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+3H"	3.021828
"1171121"	51.0178426666667	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+3H"	3.021828
"433300"	318.097223	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+NH4"	18.033823
"791017"	468.128923	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+NH4"	18.033823
"1690628"	168.065523	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+NH4"	18.033823
"334895"	159.5522495	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+H+NH4"	19.041099
"730232"	234.5680995	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+H+NH4"	19.041099
"1481864"	84.5363995	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H+NH4"	19.041099
"397264"	323.052618	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+Na"	22.989218
"760446"	473.084318	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+Na"	22.989218
"1608548"	173.020918	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Na"	22.989218
"319679"	162.029947	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+H+Na"	23.996494
"711007"	237.045797	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+H+Na"	23.996494
"1468105"	87.014097	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H+Na"	23.996494
"1058074"	58.3451566666667	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2H+Na"	25.00377
"1266316"	183.065186	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+CH3OH+H"	33.033486
"387078"	339.026558	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+K"	38.963158
"744791"	489.058258	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+K"	38.963158
"1545750"	188.994858	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+K"	38.963158
"304020"	170.016917	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+H+K"	39.970434
"698628"	245.032767	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+H+K"	39.970434
"1451356"	95.001067	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H+K"	39.970434
"242144"	342.097226	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+ACN+H"	42.033826
"1213758"	192.065526	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+ACN+H"	42.033826
"1197644"	96.536401	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+ACN+2H"	43.041102
"195980"	345.03456	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+2Na-H"	44.97116
"636634"	495.06626	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+2Na-H"	44.97116
"1137224"	195.00286	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2Na-H"	44.97116
"176870"	173.020918	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+2Na"	45.978436
"615701"	248.036768	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+2Na"	45.978436
"1119947"	98.005068	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2Na"	45.978436
"1399584"	65.6724706666667	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H+2Na"	46.985712
"1433403"	197.044446	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H+HCOOH"	47.012746
"220417"	178.05394	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+3H2O+2H"	56.04448
"1509579"	211.09649	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+IsoProp+H"	61.06479
"410840"	181.007888	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+Na+K"	61.952376
"778404"	256.023738	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+Na+K"	61.952376
"1666715"	105.992038	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Na+K"	61.952376
"255784"	364.079168	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+ACN+Na"	64.015768
"1230679"	214.047468	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+ACN+Na"	64.015768
"1720659"	214.070993	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+NH4+HCOOH"	64.039293
"1187108"	72.9997846666667	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+3Na"	68.967654
"1651536"	219.026388	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Na+HCOOH"	68.994688
"162779"	376.98244	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+2K-H"	76.91904
"600151"	527.01414	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+2K-H"	76.91904
"1090135"	226.95074	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2K-H"	76.91904
"145856"	188.994858	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"2M+2K"	77.926316
"594896"	264.010708	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"3M+2K"	77.926316
"1081597"	113.979008	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2K"	77.926316
"1109701"	228.965292	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2K+H"	78.933592
"1344991"	229.052907	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+DMSO+H"	79.021207
"1011332"	233.092076	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2ACN+H"	83.060376
"1534931"	234.085708	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+IsoProp+Na+H"	84.054008
"1003211"	117.049676	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+2ACN+2H"	84.067652
"1599531"	235.000328	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+K+HCOOH"	84.968628
"1427013"	265.031838	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+H+CF3COOH"	115.000138
"1160584"	137.562951	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+3ACN+2H"	125.094202
"1710862"	282.058385	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+NH4+CF3COOH"	132.026685
"1649065"	287.01378	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+Na+CF3COOH"	136.98208
"1585808"	302.98772	"C10812"	"Piperonal"	"C8H6O3"	"150.0317"	"M+K+CF3COOH"	152.95602
"815079"	372.3504	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M"	0
"976946"	353.33201	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-H2O-H"	-19.01839
"72479"	247.226324	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M-3H"	-3.021828
"507666"	371.343124	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M-3H"	-3.021828
"887655"	123.109524	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-3H"	-3.021828
"13884"	371.343124	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M-2H"	-2.014552
"445790"	557.518324	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M-2H"	-2.014552
"822498"	185.167924	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-2H"	-2.014552
"85777"	743.693524	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M-H"	-1.007276
"529712"	1116.043924	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M-H"	-1.007276
"907515"	371.343124	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-H"	-1.007276
"56422"	760.720071	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M-2H+NH4"	16.019271
"497078"	1133.070471	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M-2H+NH4"	16.019271
"877433"	388.369671	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-2H+NH4"	16.019271
"37315"	765.675466	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M-2H+Na"	20.974666
"475780"	1138.025866	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M-2H+Na"	20.974666
"854676"	393.325066	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-2H+Na"	20.974666
"1628583"	393.325066	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Na-2H"	20.974666
"104018"	389.331463	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M-H+Cl"	33.962126
"542486"	575.506663	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M-H+Cl"	33.962126
"931626"	203.156263	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-H+Cl"	33.962126
"274557"	779.670202	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+Cl"	34.969402
"665884"	1152.020602	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+Cl"	34.969402
"1278287"	407.319802	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Cl"	34.969402
"20843"	781.649406	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M-2H+K"	36.948606
"471200"	1153.999806	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M-2H+K"	36.948606
"847331"	409.299006	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-2H+K"	36.948606
"1570414"	409.299006	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+K-2H"	36.948606
"957976"	417.348594	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-H+HCOOH"	44.998194
"376434"	789.699001	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+HCOOH-H"	44.998201
"361254"	803.714651	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+Hac-H"	59.013851
"1507692"	431.364251	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Hac-H"	59.013851
"972195"	439.330551	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-H+NaCOOH"	66.980151
"123900"	407.319802	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+2Cl"	69.938804
"564426"	593.495002	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+2Cl"	69.938804
"1035172"	221.144602	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2Cl"	69.938804
"1255110"	451.269285	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Br"	78.918885
"1319384"	453.325272	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Cl+HCOOH"	80.974872
"1331409"	475.307229	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Cl+NaCOOH"	102.956829
"922833"	485.335986	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M-H+CF3COOH"	112.985586
"1296987"	521.312664	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Cl+CF3COOH"	148.962264
"1371870"	337.337724	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H-2H2O"	-35.012676
"1395208"	355.3477	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H-H2O"	-17.0027
"294894"	745.708076	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+H"	1.007276
"685491"	1118.058476	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+H"	1.007276
"1362937"	373.357676	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H"	1.007276
"136187"	373.357676	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+2H"	2.014552
"574652"	559.532876	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+2H"	2.014552
"1040171"	187.182476	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2H"	2.014552
"206611"	249.240876	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+3H"	3.021828
"656389"	373.357676	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+3H"	3.021828
"1171232"	125.124076	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+3H"	3.021828
"432317"	762.734623	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+NH4"	18.033823
"798417"	1135.085023	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+NH4"	18.033823
"1691831"	390.384223	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+NH4"	18.033823
"334642"	381.8709495	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+H+NH4"	19.041099
"727063"	568.0461495	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+H+NH4"	19.041099
"1480881"	195.6957495	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H+NH4"	19.041099
"396282"	767.690018	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+Na"	22.989218
"758371"	1140.040418	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+Na"	22.989218
"1606470"	395.339618	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Na"	22.989218
"316508"	384.348647	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+H+Na"	23.996494
"713303"	570.523847	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+H+Na"	23.996494
"1467121"	198.173447	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H+Na"	23.996494
"1060370"	132.45139	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2H+Na"	25.00377
"1266425"	405.383886	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+CH3OH+H"	33.033486
"389376"	783.663958	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+K"	38.963158
"743807"	1156.014358	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+K"	38.963158
"1542213"	411.313558	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+K"	38.963158
"303764"	392.335617	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+H+K"	39.970434
"696552"	578.510817	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+H+K"	39.970434
"1448550"	206.160417	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H+K"	39.970434
"243348"	786.734626	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+ACN+H"	42.033826
"1213870"	414.384226	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+ACN+H"	42.033826
"1195080"	207.695751	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+ACN+2H"	43.041102
"192811"	789.67196	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+2Na-H"	44.97116
"633463"	1162.02236	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+2Na-H"	44.97116
"1133689"	417.32156	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2Na-H"	44.97116
"175156"	395.339618	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+2Na"	45.978436
"615809"	581.514818	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+2Na"	45.978436
"1118963"	209.164418	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2Na"	45.978436
"1399086"	139.778704	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H+2Na"	46.985712
"1433877"	419.363146	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H+HCOOH"	47.012746
"221624"	400.37264	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+3H2O+2H"	56.04448
"1510902"	433.41519	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+IsoProp+H"	61.06479
"411682"	403.326588	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+Na+K"	61.952376
"776327"	589.501788	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+Na+K"	61.952376
"1667554"	217.151388	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Na+K"	61.952376
"259174"	808.716568	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+ACN+Na"	64.015768
"1230424"	436.366168	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+ACN+Na"	64.015768
"1724050"	436.389693	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+NH4+HCOOH"	64.039293
"1187218"	147.106018	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+3Na"	68.967654
"1653834"	441.345088	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Na+HCOOH"	68.994688
"162889"	821.61984	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+2K-H"	76.91904
"600261"	1193.97024	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+2K-H"	76.91904
"1098872"	449.26944	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2K-H"	76.91904
"150342"	411.313558	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"2M+2K"	77.926316
"594284"	597.488758	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"3M+2K"	77.926316
"1081344"	225.138358	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2K"	77.926316
"1113093"	451.283992	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2K+H"	78.933592
"1346195"	451.371607	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+DMSO+H"	79.021207
"1013630"	455.410776	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2ACN+H"	83.060376
"1533948"	456.404408	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+IsoProp+Na+H"	84.054008
"1002590"	228.209026	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+2ACN+2H"	84.067652
"1600371"	457.319028	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+K+HCOOH"	84.968628
"1426030"	487.350538	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+H+CF3COOH"	115.000138
"1161787"	248.722301	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+3ACN+2H"	125.094202
"1710243"	504.377085	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+NH4+CF3COOH"	132.026685
"1649177"	509.33248	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+Na+CF3COOH"	136.98208
"1585918"	525.30642	"C10813"	"Kurchessine"	"C25H44N2"	"372.3504"	"M+K+CF3COOH"	152.95602
"813002"	343.2511	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M"	0
"979973"	324.23271	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-H2O-H"	-19.01839
"71495"	227.826790666667	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M-3H"	-3.021828
"513243"	342.243824	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M-3H"	-3.021828
"885577"	113.409757333333	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-3H"	-3.021828
"4152"	342.243824	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M-2H"	-2.014552
"442620"	513.869374	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M-2H"	-2.014552
"821513"	170.618274	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-2H"	-2.014552
"84795"	685.494924	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M-H"	-1.007276
"526542"	1028.746024	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M-H"	-1.007276
"907625"	342.243824	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-H"	-1.007276
"56532"	702.521471	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M-2H+NH4"	16.019271
"497188"	1045.772571	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M-2H+NH4"	16.019271
"877180"	359.270371	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-2H+NH4"	16.019271
"39612"	707.476866	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M-2H+Na"	20.974666
"478078"	1050.727966	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M-2H+Na"	20.974666
"854786"	364.225766	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-2H+Na"	20.974666
"1625413"	364.225766	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Na-2H"	20.974666
"100848"	360.232163	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M-H+Cl"	33.962126
"538220"	531.857713	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M-H+Cl"	33.962126
"931736"	188.606613	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-H+Cl"	33.962126
"272479"	721.471602	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+Cl"	34.969402
"665993"	1064.722702	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+Cl"	34.969402
"1275117"	378.220502	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Cl"	34.969402
"18767"	723.450806	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M-2H+K"	36.948606
"461612"	1066.701906	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M-2H+K"	36.948606
"848490"	380.199706	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-2H+K"	36.948606
"1569713"	380.199706	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+K-2H"	36.948606
"958376"	388.249294	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-H+HCOOH"	44.998194
"374842"	731.500401	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+HCOOH-H"	44.998201
"360759"	745.516051	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+Hac-H"	59.013851
"1507923"	402.264951	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Hac-H"	59.013851
"972545"	410.231251	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-H+NaCOOH"	66.980151
"125102"	378.220502	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+2Cl"	69.938804
"564656"	549.846052	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+2Cl"	69.938804
"1034912"	206.594952	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2Cl"	69.938804
"1255220"	422.169985	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Br"	78.918885
"1319371"	424.225972	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Cl+HCOOH"	80.974872
"1332247"	446.207929	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Cl+NaCOOH"	102.956829
"920390"	456.236686	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M-H+CF3COOH"	112.985586
"1296004"	492.213364	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Cl+CF3COOH"	148.962264
"1371981"	308.238424	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H-2H2O"	-35.012676
"1396412"	326.2484	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H-H2O"	-17.0027
"293182"	687.509476	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+H"	1.007276
"683415"	1030.760576	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+H"	1.007276
"1363046"	344.258376	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H"	1.007276
"133017"	344.258376	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+2H"	2.014552
"572576"	515.883926	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+2H"	2.014552
"1039552"	172.632826	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2H"	2.014552
"207814"	229.841342666667	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+3H"	3.021828
"655406"	344.258376	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+3H"	3.021828
"1171342"	115.424309333333	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+3H"	3.021828
"430240"	704.536023	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+NH4"	18.033823
"797798"	1047.787123	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+NH4"	18.033823
"1689754"	361.284923	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+NH4"	18.033823
"331349"	352.7716495	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+H+NH4"	19.041099
"725106"	524.3971995	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+H+NH4"	19.041099
"1479534"	181.1460995	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H+NH4"	19.041099
"395784"	709.491418	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+Na"	22.989218
"761761"	1052.742518	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+Na"	22.989218
"1606582"	366.240318	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Na"	22.989218
"323180"	355.249347	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+H+Na"	23.996494
"713414"	526.874897	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+H+Na"	23.996494
"1466139"	183.623797	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H+Na"	23.996494
"1061573"	122.751623333333	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2H+Na"	25.00377
"1266534"	376.284586	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+CH3OH+H"	33.033486
"387299"	725.465358	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+K"	38.963158
"745012"	1068.716458	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+K"	38.963158
"1544148"	382.214258	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+K"	38.963158
"304240"	363.236317	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+H+K"	39.970434
"693382"	534.861867	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+H+K"	39.970434
"1447203"	191.610767	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H+K"	39.970434
"243458"	728.536026	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+ACN+H"	42.033826
"1215073"	385.284926	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+ACN+H"	42.033826
"1197133"	193.146101	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+ACN+2H"	43.041102
"190001"	731.47336	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+2Na-H"	44.97116
"629071"	1074.72446	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+2Na-H"	44.97116
"1131976"	388.22226	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2Na-H"	44.97116
"173807"	366.240318	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+2Na"	45.978436
"613368"	537.865868	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+2Na"	45.978436
"1116641"	194.614768	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2Na"	45.978436
"1400048"	130.078937333333	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H+2Na"	46.985712
"1435810"	390.263846	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H+HCOOH"	47.012746
"221858"	371.27334	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+3H2O+2H"	56.04448
"1510285"	404.31589	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+IsoProp+H"	61.06479
"415438"	374.227288	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+Na+K"	61.952376
"773884"	545.852838	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+Na+K"	61.952376
"1667299"	202.601738	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Na+K"	61.952376
"255639"	750.517968	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+ACN+Na"	64.015768
"1231628"	407.266868	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+ACN+Na"	64.015768
"1725254"	407.290393	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+NH4+HCOOH"	64.039293
"1190608"	137.406251333333	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+3Na"	68.967654
"1652849"	412.245788	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Na+HCOOH"	68.994688
"161906"	763.42124	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+2K-H"	76.91904
"600371"	1106.67234	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+2K-H"	76.91904
"1099103"	420.17014	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2K-H"	76.91904
"150452"	382.214258	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"2M+2K"	77.926316
"594638"	553.839808	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"3M+2K"	77.926316
"1083153"	210.588708	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2K"	77.926316
"1113932"	422.184692	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2K+H"	78.933592
"1346305"	422.272307	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+DMSO+H"	79.021207
"1012646"	426.311476	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2ACN+H"	83.060376
"1530776"	427.305108	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+IsoProp+Na+H"	84.054008
"1002700"	213.659376	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+2ACN+2H"	84.067652
"1599386"	428.219728	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+K+HCOOH"	84.968628
"1425776"	458.251238	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+H+CF3COOH"	115.000138
"1160803"	234.172651	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+3ACN+2H"	125.094202
"1708167"	475.277785	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+NH4+CF3COOH"	132.026685
"1649774"	480.23318	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+Na+CF3COOH"	136.98208
"1586028"	496.20712	"C10814"	"Paravallarine"	"C22H33NO2"	"343.2511"	"M+K+CF3COOH"	152.95602
"812019"	793.4249	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M"	0
"980083"	774.40651	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-H2O-H"	-19.01839
"68325"	527.942657333333	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M-3H"	-3.021828
"513353"	792.417624	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M-3H"	-3.021828
"887874"	263.467690666667	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-3H"	-3.021828
"4262"	792.417624	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M-2H"	-2.014552
"442730"	1189.130074	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M-2H"	-2.014552
"820530"	395.705174	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-2H"	-2.014552
"88184"	1585.842524	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M-H"	-1.007276
"528838"	2379.267424	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M-H"	-1.007276
"908828"	792.417624	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-H"	-1.007276
"60894"	1602.869071	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M-2H+NH4"	16.019271
"497299"	2396.293971	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M-2H+NH4"	16.019271
"875104"	809.444171	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-2H+NH4"	16.019271
"39722"	1607.824466	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M-2H+Na"	20.974666
"478188"	2401.249366	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M-2H+Na"	20.974666
"854896"	814.399566	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-2H+Na"	20.974666
"1624429"	814.399566	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Na-2H"	20.974666
"100958"	810.405963	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M-H+Cl"	33.962126
"542705"	1207.118413	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M-H+Cl"	33.962126
"932939"	413.693513	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-H+Cl"	33.962126
"272589"	1621.819202	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+Cl"	34.969402
"663916"	2415.244102	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+Cl"	34.969402
"1276319"	828.394302	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Cl"	34.969402
"16810"	1623.798406	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M-2H+K"	36.948606
"461722"	2417.223306	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M-2H+K"	36.948606
"848383"	830.373506	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-2H+K"	36.948606
"1569580"	830.373506	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+K-2H"	36.948606
"958324"	838.423094	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-H+HCOOH"	44.998194
"375314"	1631.848001	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+HCOOH-H"	44.998201
"361025"	1645.863651	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+Hac-H"	59.013851
"1507061"	852.438751	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Hac-H"	59.013851
"971924"	860.405051	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-H+NaCOOH"	66.980151
"124359"	828.394302	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+2Cl"	69.938804
"563310"	1225.106752	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+2Cl"	69.938804
"1032836"	431.681852	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2Cl"	69.938804
"1251684"	872.343785	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Br"	78.918885
"1315955"	874.399772	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Cl+HCOOH"	80.974872
"1331993"	896.381729	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Cl+NaCOOH"	102.956829
"917220"	906.410486	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M-H+CF3COOH"	112.985586
"1293928"	942.387164	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Cl+CF3COOH"	148.962264
"1369904"	758.412224	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H-2H2O"	-35.012676
"1391781"	776.4222	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H-H2O"	-17.0027
"291468"	1587.857076	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+H"	1.007276
"680607"	2381.281976	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+H"	1.007276
"1360238"	794.432176	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H"	1.007276
"133127"	794.432176	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+2H"	2.014552
"566852"	1191.144626	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+2H"	2.014552
"1038930"	397.719726	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2H"	2.014552
"206830"	529.957209333333	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+3H"	3.021828
"655516"	794.432176	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+3H"	3.021828
"1168172"	265.482242666667	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+3H"	3.021828
"432537"	1604.883623	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+NH4"	18.033823
"796814"	2398.308523	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+NH4"	18.033823
"1687676"	811.458723	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+NH4"	18.033823
"330243"	802.9454495	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+H+NH4"	19.041099
"724124"	1199.6578995	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+H+NH4"	19.041099
"1484384"	406.2329995	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H+NH4"	19.041099
"396502"	1609.839018	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+Na"	22.989218
"762964"	2403.263918	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+Na"	22.989218
"1611065"	816.414118	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Na"	22.989218
"324384"	805.423147	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+H+Na"	23.996494
"712430"	1202.135597	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+H+Na"	23.996494
"1467343"	408.710697	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H+Na"	23.996494
"1061683"	272.809556666667	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2H+Na"	25.00377
"1266644"	826.458386	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+CH3OH+H"	33.033486
"387409"	1625.812958	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+K"	38.963158
"742206"	2419.237858	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+K"	38.963158
"1544988"	832.388058	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+K"	38.963158
"303257"	813.410117	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+H+K"	39.970434
"694585"	1210.122567	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+H+K"	39.970434
"1448405"	416.697667	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H+K"	39.970434
"241382"	1628.883626	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+ACN+H"	42.033826
"1213361"	835.458726	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+ACN+H"	42.033826
"1196148"	418.233001	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+ACN+2H"	43.041102
"188852"	1631.82096	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+2Na-H"	44.97116
"628939"	2425.24586	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+2Na-H"	44.97116
"1131675"	838.39606	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2Na-H"	44.97116
"175011"	816.414118	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+2Na"	45.978436
"614572"	1213.126568	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+2Na"	45.978436
"1118454"	419.701668	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2Na"	45.978436
"1401251"	280.136870666667	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H+2Na"	46.985712
"1433732"	840.437646	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H+HCOOH"	47.012746
"221968"	821.44714	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+3H2O+2H"	56.04448
"1510029"	854.48969	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+IsoProp+H"	61.06479
"417734"	824.401088	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+Na+K"	61.952376
"772900"	1221.113538	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+Na+K"	61.952376
"1667774"	427.688638	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Na+K"	61.952376
"255020"	1650.865568	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+ACN+Na"	64.015768
"1231738"	857.440668	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+ACN+Na"	64.015768
"1725364"	857.464193	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+NH4+HCOOH"	64.039293
"1191812"	287.464184666667	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+3Na"	68.967654
"1653687"	862.419588	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Na+HCOOH"	68.994688
"164202"	1663.76884	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+2K-H"	76.91904
"599388"	2457.19374	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+2K-H"	76.91904
"1098849"	870.34394	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2K-H"	76.91904
"150562"	832.388058	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"2M+2K"	77.926316
"595959"	1229.100508	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"3M+2K"	77.926316
"1083263"	435.675608	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2K"	77.926316
"1114042"	872.358492	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2K+H"	78.933592
"1346415"	872.446107	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+DMSO+H"	79.021207
"1013850"	876.485276	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2ACN+H"	83.060376
"1531979"	877.478908	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+IsoProp+Na+H"	84.054008
"1002082"	438.746276	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+2ACN+2H"	84.067652
"1596216"	878.393528	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+K+HCOOH"	84.968628
"1424061"	908.425038	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+H+CF3COOH"	115.000138
"1159455"	459.259551	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+3ACN+2H"	125.094202
"1708277"	925.451585	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+NH4+CF3COOH"	132.026685
"1649765"	930.40698	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+Na+CF3COOH"	136.98208
"1586138"	946.38092	"C10815"	"Protoveratrine A"	"C41H63NO14"	"793.4249"	"M+K+CF3COOH"	152.95602
"812129"	809.4198	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M"	0
"980193"	790.40141	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-H2O-H"	-19.01839
"68435"	538.605924	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M-3H"	-3.021828
"513463"	808.412524	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M-3H"	-3.021828
"886891"	268.799324	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-3H"	-3.021828
"7653"	808.412524	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M-2H"	-2.014552
"442840"	1213.122424	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M-2H"	-2.014552
"818817"	403.702624	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-2H"	-2.014552
"80639"	1617.832324	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M-H"	-1.007276
"528948"	2427.252124	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M-H"	-1.007276
"907844"	808.412524	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-H"	-1.007276
"53471"	1634.858871	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M-2H+NH4"	16.019271
"496316"	2444.278671	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M-2H+NH4"	16.019271
"876673"	825.439071	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-2H+NH4"	16.019271
"39832"	1639.814266	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M-2H+Na"	20.974666
"478298"	2449.234066	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M-2H+Na"	20.974666
"853913"	830.394466	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-2H+Na"	20.974666
"1626726"	830.394466	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Na-2H"	20.974666
"101068"	826.400863	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M-H+Cl"	33.962126
"541722"	1231.110763	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M-H+Cl"	33.962126
"929769"	421.690963	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-H+Cl"	33.962126
"271605"	1653.809002	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+Cl"	34.969402
"660133"	2463.228802	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+Cl"	34.969402
"1276430"	844.389202	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Cl"	34.969402
"16799"	1655.788206	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M-2H+K"	36.948606
"461832"	2465.208006	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M-2H+K"	36.948606
"846933"	846.368406	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-2H+K"	36.948606
"1568598"	846.368406	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+K-2H"	36.948606
"957943"	854.417994	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-H+HCOOH"	44.998194
"374332"	1663.837801	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+HCOOH-H"	44.998201
"360039"	1677.853451	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+Hac-H"	59.013851
"1505955"	868.433651	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Hac-H"	59.013851
"972402"	876.399951	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-H+NaCOOH"	66.980151
"123497"	844.389202	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+2Cl"	69.938804
"564517"	1249.099102	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+2Cl"	69.938804
"1032584"	439.679302	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2Cl"	69.938804
"1249608"	888.338685	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Br"	78.918885
"1316065"	890.394672	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Cl+HCOOH"	80.974872
"1331011"	912.376629	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Cl+NaCOOH"	102.956829
"918423"	922.405386	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M-H+CF3COOH"	112.985586
"1296225"	958.382064	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Cl+CF3COOH"	148.962264
"1371107"	774.407124	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H-2H2O"	-35.012676
"1396631"	792.4171	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H-H2O"	-17.0027
"292307"	1619.846876	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+H"	1.007276
"683999"	2429.266676	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+H"	1.007276
"1360348"	810.427076	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H"	1.007276
"129954"	810.427076	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+2H"	2.014552
"568417"	1215.136976	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+2H"	2.014552
"1038676"	405.717176	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2H"	2.014552
"207304"	540.620476	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+3H"	3.021828
"651249"	810.427076	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+3H"	3.021828
"1172657"	270.813876	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+3H"	3.021828
"432648"	1636.873423	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+NH4"	18.033823
"799111"	2446.293223	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+NH4"	18.033823
"1687786"	827.453623	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+NH4"	18.033823
"333880"	818.9403495	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+H+NH4"	19.041099
"726301"	1223.6502495	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+H+NH4"	19.041099
"1484494"	414.2304495	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H+NH4"	19.041099
"395519"	1641.828818	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+Na"	22.989218
"760887"	2451.248618	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+Na"	22.989218
"1611175"	832.409018	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Na"	22.989218
"326681"	821.418047	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+H+Na"	23.996494
"713633"	1226.127947	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+H+Na"	23.996494
"1467453"	416.708147	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H+Na"	23.996494
"1061793"	278.14119	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2H+Na"	25.00377
"1262381"	842.453286	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+CH3OH+H"	33.033486
"390800"	1657.802758	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+K"	38.963158
"749245"	2467.222558	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+K"	38.963158
"1547287"	848.382958	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+K"	38.963158
"305556"	829.405017	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+H+K"	39.970434
"697976"	1234.114917	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+H+K"	39.970434
"1449610"	424.695117	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H+K"	39.970434
"238575"	1660.873426	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+ACN+H"	42.033826
"1215294"	851.453626	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+ACN+H"	42.033826
"1198084"	426.230451	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+ACN+2H"	43.041102
"190950"	1663.81076	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+2Na-H"	44.97116
"630875"	2473.23056	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+2Na-H"	44.97116
"1133286"	854.39096	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2Na-H"	44.97116
"175118"	832.409018	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+2Na"	45.978436
"613710"	1237.118918	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+2Na"	45.978436
"1121480"	427.699118	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2Na"	45.978436
"1405010"	285.468504	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H+2Na"	46.985712
"1437124"	856.432546	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H+HCOOH"	47.012746
"222080"	837.44204	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+3H2O+2H"	56.04448
"1512693"	870.48459	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+IsoProp+H"	61.06479
"409461"	840.395988	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+Na+K"	61.952376
"772646"	1245.105888	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+Na+K"	61.952376
"1671897"	435.686088	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Na+K"	61.952376
"254039"	1682.855368	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+ACN+Na"	64.015768
"1233308"	873.435568	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+ACN+Na"	64.015768
"1718183"	873.459093	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+NH4+HCOOH"	64.039293
"1184631"	292.795818	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+3Na"	68.967654
"1653798"	878.414488	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Na+HCOOH"	68.994688
"163219"	1695.75864	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+2K-H"	76.91904
"599497"	2505.17844	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+2K-H"	76.91904
"1091664"	886.33884	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2K-H"	76.91904
"150672"	848.382958	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"2M+2K"	77.926316
"595580"	1253.092858	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"3M+2K"	77.926316
"1078025"	443.673058	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2K"	77.926316
"1110142"	888.353392	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2K+H"	78.933592
"1344337"	888.441007	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+DMSO+H"	79.021207
"1012866"	892.480176	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2ACN+H"	83.060376
"1530996"	893.473808	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+IsoProp+Na+H"	84.054008
"1000735"	446.743726	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+2ACN+2H"	84.067652
"1598512"	894.388428	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+K+HCOOH"	84.968628
"1423078"	924.419938	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+H+CF3COOH"	115.000138
"1161875"	467.257001	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+3ACN+2H"	125.094202
"1707292"	941.446485	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+NH4+CF3COOH"	132.026685
"1649797"	946.40188	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+Na+CF3COOH"	136.98208
"1586248"	962.37582	"C10816"	"Protoveratrine B"	"C41H63NO15"	"809.4198"	"M+K+CF3COOH"	152.95602
"813333"	525.2938	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M"	0
"983584"	506.27541	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-H2O-H"	-19.01839
"69639"	349.188590666667	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M-3H"	-3.021828
"513574"	524.286524	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M-3H"	-3.021828
"888095"	174.090657333333	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-3H"	-3.021828
"7763"	524.286524	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M-2H"	-2.014552
"449511"	786.933424	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M-2H"	-2.014552
"824032"	261.639624	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-2H"	-2.014552
"80749"	1049.580324	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M-H"	-1.007276
"519818"	1574.874124	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M-H"	-1.007276
"900299"	524.286524	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-H"	-1.007276
"54674"	1066.606871	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M-2H+NH4"	16.019271
"497516"	1591.900671	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M-2H+NH4"	16.019271
"877144"	541.313071	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-2H+NH4"	16.019271
"39942"	1071.562266	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M-2H+Na"	20.974666
"475128"	1596.856066	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M-2H+Na"	20.974666
"854023"	546.268466	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-2H+Na"	20.974666
"1623556"	546.268466	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Na-2H"	20.974666
"97897"	542.274863	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M-H+Cl"	33.962126
"537456"	804.921763	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M-H+Cl"	33.962126
"929877"	279.627963	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-H+Cl"	33.962126
"267578"	1085.557002	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+Cl"	34.969402
"660604"	1610.850802	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+Cl"	34.969402
"1275446"	560.263202	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Cl"	34.969402
"16784"	1087.536206	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M-2H+K"	36.948606
"463035"	1612.830006	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M-2H+K"	36.948606
"847530"	562.242406	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-2H+K"	36.948606
"1569799"	562.242406	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+K-2H"	36.948606
"956597"	570.291994	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-H+HCOOH"	44.998194
"375532"	1095.585801	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+HCOOH-H"	44.998201
"358325"	1109.601451	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+Hac-H"	59.013851
"1505336"	584.307651	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Hac-H"	59.013851
"971055"	592.273951	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-H+NaCOOH"	66.980151
"122879"	560.263202	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+2Cl"	69.938804
"564263"	822.910102	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+2Cl"	69.938804
"1033786"	297.616302	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2Cl"	69.938804
"1250447"	604.212685	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Br"	78.918885
"1315082"	606.268672	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Cl+HCOOH"	80.974872
"1333673"	628.250629	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Cl+NaCOOH"	102.956829
"919626"	638.279386	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M-H+CF3COOH"	112.985586
"1296335"	674.256064	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Cl+CF3COOH"	148.962264
"1371218"	490.281124	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H-2H2O"	-35.012676
"1394189"	508.2911	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H-H2O"	-17.0027
"294239"	1051.594876	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+H"	1.007276
"684837"	1576.888676	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+H"	1.007276
"1359364"	526.301076	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H"	1.007276
"130064"	526.301076	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+2H"	2.014552
"569983"	788.947976	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+2H"	2.014552
"1038784"	263.654176	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2H"	2.014552
"207778"	351.203142666667	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+3H"	3.021828
"653181"	526.301076	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+3H"	3.021828
"1172767"	176.105209333333	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+3H"	3.021828
"431664"	1068.621423	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+NH4"	18.033823
"797034"	1593.915223	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+NH4"	18.033823
"1687896"	543.327623	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+NH4"	18.033823
"340548"	534.8143495	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+H+NH4"	19.041099
"728597"	797.4612495	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+H+NH4"	19.041099
"1485697"	272.1674495	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H+NH4"	19.041099
"395629"	1073.576818	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+Na"	22.989218
"758810"	1598.870618	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+Na"	22.989218
"1611285"	548.283018	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Na"	22.989218
"322414"	537.292047	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+H+Na"	23.996494
"714836"	799.938947	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+H+Na"	23.996494
"1467562"	274.645147	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H+Na"	23.996494
"1055342"	183.432523333333	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2H+Na"	25.00377
"1263583"	558.327286	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+CH3OH+H"	33.033486
"392003"	1089.550758	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+K"	38.963158
"750813"	1614.844558	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+K"	38.963158
"1548490"	564.256958	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+K"	38.963158
"306759"	545.279017	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+H+K"	39.970434
"699179"	807.925917	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+H+K"	39.970434
"1451908"	282.632117	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H+K"	39.970434
"237955"	1092.621426	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+ACN+H"	42.033826
"1214310"	567.327626	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+ACN+H"	42.033826
"1197465"	284.167451	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+ACN+2H"	43.041102
"190695"	1095.55876	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+2Na-H"	44.97116
"630256"	1620.85256	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+2Na-H"	44.97116
"1134126"	570.26496	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2Na-H"	44.97116
"173889"	548.283018	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+2Na"	45.978436
"614062"	810.929918	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+2Na"	45.978436
"1122682"	285.636118	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2Na"	45.978436
"1405120"	190.759837333333	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H+2Na"	46.985712
"1436505"	572.306546	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H+HCOOH"	47.012746
"222554"	553.31604	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+3H2O+2H"	56.04448
"1509887"	586.35859	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+IsoProp+H"	61.06479
"409328"	556.269988	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+Na+K"	61.952376
"772392"	818.916888	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+Na+K"	61.952376
"1672007"	293.623088	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Na+K"	61.952376
"253420"	1114.603368	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+ACN+Na"	64.015768
"1230502"	589.309568	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+ACN+Na"	64.015768
"1716107"	589.333093	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+NH4+HCOOH"	64.039293
"1181825"	198.087151333333	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+3Na"	68.967654
"1654637"	594.288488	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Na+HCOOH"	68.994688
"161142"	1127.50664	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+2K-H"	76.91904
"600701"	1652.80044	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+2K-H"	76.91904
"1088492"	602.21284	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2K-H"	76.91904
"148592"	564.256958	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"2M+2K"	77.926316
"593991"	826.903858	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"3M+2K"	77.926316
"1078135"	301.610058	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2K"	77.926316
"1110252"	604.227392	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2K+H"	78.933592
"1342261"	604.315007	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+DMSO+H"	79.021207
"1014070"	608.354176	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2ACN+H"	83.060376
"1531106"	609.347808	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+IsoProp+Na+H"	84.054008
"1003763"	304.680726	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+2ACN+2H"	84.067652
"1596436"	610.262428	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+K+HCOOH"	84.968628
"1424281"	640.293938	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+H+CF3COOH"	115.000138
"1161986"	325.194001	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+3ACN+2H"	125.094202
"1707402"	657.320485	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+NH4+CF3COOH"	132.026685
"1649499"	662.27588	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+Na+CF3COOH"	136.98208
"1586358"	678.24982	"C10817"	"Protoverine"	"C27H43NO9"	"525.2938"	"M+K+CF3COOH"	152.95602
"812349"	432.3716	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M"	0
"980413"	413.35321	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-H2O-H"	-19.01839
"66468"	287.240457333333	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M-3H"	-3.021828
"510404"	431.364324	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M-3H"	-3.021828
"888205"	143.116590666667	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-3H"	-3.021828
"7873"	431.364324	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M-2H"	-2.014552
"451808"	647.550124	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M-2H"	-2.014552
"820862"	215.178524	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-2H"	-2.014552
"83044"	863.735924	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M-H"	-1.007276
"519806"	1296.107524	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M-H"	-1.007276
"898220"	431.364324	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-H"	-1.007276
"52598"	880.762471	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M-2H+NH4"	16.019271
"494345"	1313.134071	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M-2H+NH4"	16.019271
"866801"	448.390871	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-2H+NH4"	16.019271
"40052"	885.717866	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M-2H+Na"	20.974666
"475238"	1318.089466	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M-2H+Na"	20.974666
"848983"	453.346266	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-2H+Na"	20.974666
"1618923"	453.346266	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Na-2H"	20.974666
"94720"	449.352663	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M-H+Cl"	33.962126
"534523"	665.538463	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M-H+Cl"	33.962126
"927794"	233.166863	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-H+Cl"	33.962126
"267324"	899.712602	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+Cl"	34.969402
"660391"	1332.084202	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+Cl"	34.969402
"1273238"	467.341002	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Cl"	34.969402
"15959"	901.691806	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M-2H+K"	36.948606
"463145"	1334.063406	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M-2H+K"	36.948606
"848130"	469.320206	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-2H+K"	36.948606
"1570273"	469.320206	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+K-2H"	36.948606
"957797"	477.369794	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-H+HCOOH"	44.998194
"375277"	909.741401	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+HCOOH-H"	44.998201
"359527"	923.757051	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+Hac-H"	59.013851
"1505445"	491.385451	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Hac-H"	59.013851
"971165"	499.351751	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-H+NaCOOH"	66.980151
"123353"	467.341002	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+2Cl"	69.938804
"563641"	683.526802	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+2Cl"	69.938804
"1033168"	251.155202	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2Cl"	69.938804
"1249828"	511.290485	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Br"	78.918885
"1315921"	513.346472	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Cl+HCOOH"	80.974872
"1334147"	535.328429	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Cl+NaCOOH"	102.956829
"917549"	545.357186	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M-H+CF3COOH"	112.985586
"1296446"	581.333864	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Cl+CF3COOH"	148.962264
"1372422"	397.358924	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H-2H2O"	-35.012676
"1393935"	415.3689	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H-H2O"	-17.0027
"288518"	865.750476	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+H"	1.007276
"680939"	1298.122076	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+H"	1.007276
"1355102"	433.378876	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H"	1.007276
"129081"	433.378876	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+2H"	2.014552
"569002"	649.564676	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+2H"	2.014552
"1037560"	217.193076	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2H"	2.014552
"207889"	289.255009333333	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+3H"	3.021828
"650376"	433.378876	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+3H"	3.021828
"1170691"	145.131142666667	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+3H"	3.021828
"436148"	882.777023	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+NH4"	18.033823
"797144"	1315.148623	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+NH4"	18.033823
"1688006"	450.405423	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+NH4"	18.033823
"337378"	441.8921495	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+H+NH4"	19.041099
"729801"	658.0779495	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+H+NH4"	19.041099
"1487994"	225.7063495	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H+NH4"	19.041099
"399019"	887.732418	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+Na"	22.989218
"758920"	1320.104018	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+Na"	22.989218
"1609208"	455.360818	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Na"	22.989218
"322524"	444.369847	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+H+Na"	23.996494
"713851"	660.555647	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+H+Na"	23.996494
"1467671"	228.184047	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H+Na"	23.996494
"1055816"	152.458456666667	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2H+Na"	25.00377
"1263693"	465.405086	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+CH3OH+H"	33.033486
"384458"	903.706358	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+K"	38.963158
"748735"	1336.077958	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+K"	38.963158
"1548601"	471.334758	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+K"	38.963158
"303589"	452.356817	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+H+K"	39.970434
"693821"	668.542617	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+H+K"	39.970434
"1449831"	236.171017	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H+K"	39.970434
"237335"	906.777026	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+ACN+H"	42.033826
"1211868"	474.405426	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+ACN+H"	42.033826
"1195870"	237.706351	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+ACN+2H"	43.041102
"190804"	909.71436	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+2Na-H"	44.97116
"628744"	1342.08596	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+2Na-H"	44.97116
"1131806"	477.34276	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2Na-H"	44.97116
"176178"	455.360818	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+2Na"	45.978436
"613805"	671.546618	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+2Na"	45.978436
"1122792"	239.175018	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2Na"	45.978436
"1407416"	159.785770666667	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H+2Na"	46.985712
"1436251"	479.384346	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H+HCOOH"	47.012746
"222664"	460.39384	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+3H2O+2H"	56.04448
"1510725"	493.43639	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+IsoProp+H"	61.06479
"409069"	463.347788	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+Na+K"	61.952376
"770676"	679.533588	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+Na+K"	61.952376
"1673212"	247.161988	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Na+K"	61.952376
"254260"	928.758968	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+ACN+Na"	64.015768
"1232069"	496.387368	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+ACN+Na"	64.015768
"1715852"	496.410893	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+NH4+HCOOH"	64.039293
"1181935"	167.113084666667	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+3Na"	68.967654
"1652563"	501.366288	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Na+HCOOH"	68.994688
"160159"	941.66224	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+2K-H"	76.91904
"601905"	1374.03384	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+2K-H"	76.91904
"1089695"	509.29064	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2K-H"	76.91904
"146881"	471.334758	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"2M+2K"	77.926316
"595074"	687.520558	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"3M+2K"	77.926316
"1076058"	255.148958	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2K"	77.926316
"1112549"	511.305192	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2K+H"	78.933592
"1342371"	511.392807	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+DMSO+H"	79.021207
"1010901"	515.431976	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2ACN+H"	83.060376
"1533403"	516.425608	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+IsoProp+Na+H"	84.054008
"1003871"	258.219626	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+2ACN+2H"	84.067652
"1596545"	517.340228	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+K+HCOOH"	84.968628
"1422204"	547.371738	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+H+CF3COOH"	115.000138
"1162663"	278.732901	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+3ACN+2H"	125.094202
"1708605"	564.398285	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+NH4+CF3COOH"	132.026685
"1649732"	569.35368	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+Na+CF3COOH"	136.98208
"1586468"	585.32762	"C10818"	"Solacapine"	"C27H48N2O2"	"432.3716"	"M+K+CF3COOH"	152.95602
"813553"	867.498	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M"	0
"983804"	848.47961	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-H2O-H"	-19.01839
"73140"	577.324724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M-3H"	-3.021828
"510514"	866.490724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M-3H"	-3.021828
"887222"	288.158724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-3H"	-3.021828
"9076"	866.490724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M-2H"	-2.014552
"446449"	1300.239724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M-2H"	-2.014552
"819879"	432.741724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-2H"	-2.014552
"79141"	1733.988724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M-H"	-1.007276
"520160"	2601.486724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M-H"	-1.007276
"896265"	866.490724	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-H"	-1.007276
"52708"	1751.015271	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M-2H+NH4"	16.019271
"494455"	2618.513271	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M-2H+NH4"	16.019271
"866790"	883.517271	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-2H+NH4"	16.019271
"32991"	1755.970666	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M-2H+Na"	20.974666
"471567"	2623.468666	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M-2H+Na"	20.974666
"848603"	888.472666	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-2H+Na"	20.974666
"1621587"	888.472666	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Na-2H"	20.974666
"94344"	884.479063	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M-H+Cl"	33.962126
"537676"	1318.228063	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M-H+Cl"	33.962126
"927130"	450.730063	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-H+Cl"	33.962126
"267394"	1769.965402	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+Cl"	34.969402
"660585"	2637.463402	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+Cl"	34.969402
"1273514"	902.467402	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Cl"	34.969402
"16274"	1771.944606	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M-2H+K"	36.948606
"465442"	2639.442606	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M-2H+K"	36.948606
"847993"	904.446606	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-2H+K"	36.948606
"1568923"	904.446606	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+K-2H"	36.948606
"956809"	912.496194	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-H+HCOOH"	44.998194
"372835"	1779.994201	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+HCOOH-H"	44.998201
"358543"	1794.009851	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+Hac-H"	59.013851
"1505919"	926.511851	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Hac-H"	59.013851
"971636"	934.478151	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-H+NaCOOH"	66.980151
"123463"	902.467402	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+2Cl"	69.938804
"562290"	1336.216402	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+2Cl"	69.938804
"1033275"	468.718402	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2Cl"	69.938804
"1252123"	946.416885	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Br"	78.918885
"1317852"	948.472872	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Cl+HCOOH"	80.974872
"1334259"	970.454829	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Cl+NaCOOH"	102.956829
"918752"	980.483586	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M-H+CF3COOH"	112.985586
"1296555"	1016.460264	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Cl+CF3COOH"	148.962264
"1372533"	832.485324	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H-2H2O"	-35.012676
"1394045"	850.4953	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H-H2O"	-17.0027
"288628"	1736.003276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+H"	1.007276
"679956"	2603.501276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+H"	1.007276
"1355212"	868.505276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H"	1.007276
"129192"	868.505276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+2H"	2.014552
"567049"	1302.254276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+2H"	2.014552
"1038644"	434.756276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2H"	2.014552
"205935"	579.339276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+3H"	3.021828
"648299"	868.505276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+3H"	3.021828
"1167518"	290.173276	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+3H"	3.021828
"426416"	1753.029823	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+NH4"	18.033823
"785775"	2620.527823	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+NH4"	18.033823
"1685929"	885.531823	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+NH4"	18.033823
"337488"	877.0185495	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+H+NH4"	19.041099
"727722"	1310.7675495	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+H+NH4"	19.041099
"1482636"	443.2695495	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H+NH4"	19.041099
"393173"	1757.985218	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+Na"	22.989218
"761217"	2625.483218	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+Na"	22.989218
"1603851"	890.487218	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Na"	22.989218
"319353"	879.496247	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+H+Na"	23.996494
"708493"	1313.245247	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+H+Na"	23.996494
"1461703"	445.747247	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H+Na"	23.996494
"1053615"	297.50059	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2H+Na"	25.00377
"1258702"	900.531486	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+CH3OH+H"	33.033486
"382382"	1773.959158	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+K"	38.963158
"746658"	2641.457158	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+K"	38.963158
"1546524"	906.461158	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+K"	38.963158
"300419"	887.483217	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+H+K"	39.970434
"691742"	1321.232217	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+H+K"	39.970434
"1451034"	453.734217	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H+K"	39.970434
"237445"	1777.029826	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+ACN+H"	42.033826
"1211978"	909.531826	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+ACN+H"	42.033826
"1198047"	455.269551	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+ACN+2H"	43.041102
"190308"	1779.96716	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+2Na-H"	44.97116
"629138"	2647.46516	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+2Na-H"	44.97116
"1133984"	912.46916	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2Na-H"	44.97116
"173505"	890.487218	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+2Na"	45.978436
"613430"	1324.236218	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+2Na"	45.978436
"1115974"	456.738218	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2Na"	45.978436
"1407527"	304.827904	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H+2Na"	46.985712
"1442922"	914.510746	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H+HCOOH"	47.012746
"224598"	895.52024	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+3H2O+2H"	56.04448
"1510836"	928.56279	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+IsoProp+H"	61.06479
"410885"	898.474188	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+Na+K"	61.952376
"770788"	1332.223188	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+Na+K"	61.952376
"1675506"	464.725188	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Na+K"	61.952376
"251614"	1799.011768	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+ACN+Na"	64.015768
"1226224"	931.513768	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+ACN+Na"	64.015768
"1712919"	931.537293	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+NH4+HCOOH"	64.039293
"1178567"	312.155218	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+3Na"	68.967654
"1651937"	936.492688	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Na+HCOOH"	68.994688
"160269"	1811.91504	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+2K-H"	76.91904
"600922"	2679.41304	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+2K-H"	76.91904
"1087619"	944.41704	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2K-H"	76.91904
"152095"	906.461158	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"2M+2K"	77.926316
"596032"	1340.210158	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"3M+2K"	77.926316
"1076168"	472.712158	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2K"	77.926316
"1113764"	946.431592	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2K+H"	78.933592
"1349045"	946.519207	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+DMSO+H"	79.021207
"1018667"	950.558376	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2ACN+H"	83.060376
"1535701"	951.552008	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+IsoProp+Na+H"	84.054008
"1004345"	475.782826	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+2ACN+2H"	84.067652
"1599937"	952.466628	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+K+HCOOH"	84.968628
"1426690"	982.498138	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+H+CF3COOH"	115.000138
"1162449"	496.296101	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+3ACN+2H"	125.094202
"1709810"	999.524685	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+NH4+CF3COOH"	132.026685
"1649594"	1004.48008	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+Na+CF3COOH"	136.98208
"1586578"	1020.45402	"C10819"	"Solamargine"	"C45H73NO15"	"867.498"	"M+K+CF3COOH"	152.95602
"813662"	867.498	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M"	0
"980633"	848.47961	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-H2O-H"	-19.01839
"68875"	577.324724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M-3H"	-3.021828
"512812"	866.490724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M-3H"	-3.021828
"891705"	288.158724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-3H"	-3.021828
"10280"	866.490724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M-2H"	-2.014552
"448747"	1300.239724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M-2H"	-2.014552
"822175"	432.741724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-2H"	-2.014552
"80100"	1733.988724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M-H"	-1.007276
"519296"	2601.486724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M-H"	-1.007276
"896612"	866.490724	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-H"	-1.007276
"47259"	1751.015271	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M-2H+NH4"	16.019271
"496752"	2618.513271	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M-2H+NH4"	16.019271
"864463"	883.517271	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-2H+NH4"	16.019271
"32980"	1755.970666	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M-2H+Na"	20.974666
"471430"	2623.468666	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M-2H+Na"	20.974666
"848597"	888.472666	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-2H+Na"	20.974666
"1618779"	888.472666	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Na-2H"	20.974666
"95067"	884.479063	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M-H+Cl"	33.962126
"537786"	1318.228063	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M-H+Cl"	33.962126
"927093"	450.730063	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-H+Cl"	33.962126
"267259"	1769.965402	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+Cl"	34.969402
"659993"	2637.463402	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+Cl"	34.969402
"1273141"	902.467402	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Cl"	34.969402
"18334"	1771.944606	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M-2H+K"	36.948606
"468471"	2639.442606	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M-2H+K"	36.948606
"840075"	904.446606	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-2H+K"	36.948606
"1567940"	904.446606	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+K-2H"	36.948606
"957243"	912.496194	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-H+HCOOH"	44.998194
"374039"	1779.994201	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+HCOOH-H"	44.998201
"357924"	1794.009851	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+Hac-H"	59.013851
"1506030"	926.511851	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Hac-H"	59.013851
"972842"	934.478151	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-H+NaCOOH"	66.980151
"124911"	902.467402	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+2Cl"	69.938804
"563133"	1336.216402	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+2Cl"	69.938804
"1032658"	468.718402	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2Cl"	69.938804
"1255881"	946.416885	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Br"	78.918885
"1319425"	948.472872	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Cl+HCOOH"	80.974872
"1333274"	970.454829	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Cl+NaCOOH"	102.956829
"922872"	980.483586	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M-H+CF3COOH"	112.985586
"1300674"	1016.460264	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Cl+CF3COOH"	148.962264
"1373735"	832.485324	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H-2H2O"	-35.012676
"1391239"	850.4953	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H-H2O"	-17.0027
"288737"	1736.003276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+H"	1.007276
"682253"	2603.501276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+H"	1.007276
"1353133"	868.505276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H"	1.007276
"129302"	868.505276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+2H"	2.014552
"567402"	1302.254276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+2H"	2.014552
"1044221"	434.756276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2H"	2.014552
"207748"	579.339276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+3H"	3.021828
"650596"	868.505276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+3H"	3.021828
"1170909"	290.173276	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+3H"	3.021828
"433087"	1753.029823	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+NH4"	18.033823
"790801"	2620.527823	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+NH4"	18.033823
"1691507"	885.531823	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+NH4"	18.033823
"337599"	877.0185495	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+H+NH4"	19.041099
"727832"	1310.7675495	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+H+NH4"	19.041099
"1482746"	443.2695495	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H+NH4"	19.041099
"393363"	1757.985218	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+Na"	22.989218
"761327"	2625.483218	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+Na"	22.989218
"1603961"	890.487218	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Na"	22.989218
"319463"	879.496247	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+H+Na"	23.996494
"714069"	1313.245247	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+H+Na"	23.996494
"1463516"	445.747247	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H+Na"	23.996494
"1053602"	297.50059	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2H+Na"	25.00377
"1259176"	900.531486	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+CH3OH+H"	33.033486
"382492"	1773.959158	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+K"	38.963158
"747862"	2641.457158	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+K"	38.963158
"1548821"	906.461158	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+K"	38.963158
"301257"	887.483217	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+H+K"	39.970434
"692220"	1321.232217	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+H+K"	39.970434
"1453331"	453.734217	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H+K"	39.970434
"236830"	1777.029826	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+ACN+H"	42.033826
"1212453"	909.531826	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+ACN+H"	42.033826
"1197429"	455.269551	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+ACN+2H"	43.041102
"190298"	1779.96716	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+2Na-H"	44.97116
"630342"	2647.46516	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+2Na-H"	44.97116
"1136646"	912.46916	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2Na-H"	44.97116
"174591"	890.487218	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+2Na"	45.978436
"614150"	1324.236218	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+2Na"	45.978436
"1124108"	456.738218	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2Na"	45.978436
"1407637"	304.827904	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H+2Na"	46.985712
"1436471"	914.510746	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H+HCOOH"	47.012746
"227260"	895.52024	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+3H2O+2H"	56.04448
"1513862"	928.56279	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+IsoProp+H"	61.06479
"410995"	898.474188	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+Na+K"	61.952376
"772721"	1332.223188	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+Na+K"	61.952376
"1674524"	464.725188	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Na+K"	61.952376
"253752"	1799.011768	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+ACN+Na"	64.015768
"1226134"	931.513768	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+ACN+Na"	64.015768
"1713639"	931.537293	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+NH4+HCOOH"	64.039293
"1181425"	312.155218	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+3Na"	68.967654
"1653507"	936.492688	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Na+HCOOH"	68.994688
"159650"	1811.91504	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+2K-H"	76.91904
"599939"	2679.41304	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+2K-H"	76.91904
"1085543"	944.41704	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2K-H"	76.91904
"146737"	906.461158	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"2M+2K"	77.926316
"582652"	1340.210158	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"3M+2K"	77.926316
"1075185"	472.712158	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2K"	77.926316
"1112768"	946.431592	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2K+H"	78.933592
"1342592"	946.519207	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+DMSO+H"	79.021207
"1017685"	950.558376	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2ACN+H"	83.060376
"1535811"	951.552008	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+IsoProp+Na+H"	84.054008
"1004088"	475.782826	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+2ACN+2H"	84.067652
"1600776"	952.466628	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+K+HCOOH"	84.968628
"1427893"	982.498138	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+H+CF3COOH"	115.000138
"1162193"	496.296101	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+3ACN+2H"	125.094202
"1708825"	999.524685	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+NH4+CF3COOH"	132.026685
"1648853"	1004.48008	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+Na+CF3COOH"	136.98208
"1586688"	1020.45402	"C10820"	"Solanine;alpha-Solanin"	"C45H73NO15"	"867.498"	"M+K+CF3COOH"	152.95602
"813772"	430.3559	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M"	0
"980743"	411.33751	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-H2O-H"	-19.01839
"70078"	285.896657333333	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M-3H"	-3.021828
"511828"	429.348624	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M-3H"	-3.021828
"887441"	142.444690666667	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-3H"	-3.021828
"8203"	429.348624	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M-2H"	-2.014552
"444482"	644.526574	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M-2H"	-2.014552
"823378"	214.170674	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-2H"	-2.014552
"81183"	859.704524	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M-H"	-1.007276
"520132"	1290.060424	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M-H"	-1.007276
"897568"	429.348624	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-H"	-1.007276
"47814"	876.731071	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M-2H+NH4"	16.019271
"497955"	1307.086971	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M-2H+NH4"	16.019271
"865185"	446.375171	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-2H+NH4"	16.019271
"34184"	881.686466	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M-2H+Na"	20.974666
"471550"	1312.042366	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M-2H+Na"	20.974666
"848623"	451.330566	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-2H+Na"	20.974666
"1618969"	451.330566	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Na-2H"	20.974666
"95177"	447.336963	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M-H+Cl"	33.962126
"537896"	662.514913	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M-H+Cl"	33.962126
"928006"	232.159013	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-H+Cl"	33.962126
"268021"	895.681202	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+Cl"	34.969402
"660440"	1326.037102	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+Cl"	34.969402
"1273940"	465.325302	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Cl"	34.969402
"19537"	897.660406	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M-2H+K"	36.948606
"468945"	1328.016306	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M-2H+K"	36.948606
"837997"	467.304506	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-2H+K"	36.948606
"1560391"	467.304506	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+K-2H"	36.948606
"954840"	475.354094	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-H+HCOOH"	44.998194
"374149"	905.710001	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+HCOOH-H"	44.998201
"358034"	919.725651	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+Hac-H"	59.013851
"1506500"	489.369751	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Hac-H"	59.013851
"971856"	497.336051	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-H+NaCOOH"	66.980151
"122589"	465.325302	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+2Cl"	69.938804
"561780"	680.503252	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+2Cl"	69.938804
"1033132"	250.147352	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2Cl"	69.938804
"1255628"	509.274785	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Br"	78.918885
"1316617"	511.330772	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Cl+HCOOH"	80.974872
"1332287"	533.312729	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Cl+NaCOOH"	102.956829
"924076"	543.341486	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M-H+CF3COOH"	112.985586
"1301149"	579.318164	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Cl+CF3COOH"	148.962264
"1376031"	395.343224	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H-2H2O"	-35.012676
"1384789"	413.3532	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H-H2O"	-17.0027
"285567"	861.719076	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+H"	1.007276
"679082"	1292.074976	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+H"	1.007276
"1353364"	431.363176	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H"	1.007276
"129412"	431.363176	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+2H"	2.014552
"570064"	646.541126	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+2H"	2.014552
"1044331"	216.185226	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2H"	2.014552
"211138"	287.911209333333	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+3H"	3.021828
"651799"	431.363176	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+3H"	3.021828
"1171019"	144.459242666667	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+3H"	3.021828
"433197"	878.745623	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+NH4"	18.033823
"788724"	1309.101523	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+NH4"	18.033823
"1691617"	448.389723	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+NH4"	18.033823
"336615"	439.8764495	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+H+NH4"	19.041099
"729035"	655.0543995	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+H+NH4"	19.041099
"1483949"	224.6984995	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H+NH4"	19.041099
"394973"	883.701018	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+Na"	22.989218
"759250"	1314.056918	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+Na"	22.989218
"1608442"	453.345118	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Na"	22.989218
"316657"	442.354147	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+H+Na"	23.996494
"714179"	657.532097	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+H+Na"	23.996494
"1465812"	227.176197	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H+Na"	23.996494
"1061245"	151.786556666667	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2H+Na"	25.00377
"1261108"	463.389386	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+CH3OH+H"	33.033486
"382602"	899.674958	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+K"	38.963158
"745785"	1330.030858	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+K"	38.963158
"1548931"	469.319058	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+K"	38.963158
"301732"	450.341117	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+H+K"	39.970434
"692694"	665.519067	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+H+K"	39.970434
"1453441"	235.163167	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H+K"	39.970434
"237669"	902.745626	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+ACN+H"	42.033826
"1213656"	472.389726	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+ACN+H"	42.033826
"1197539"	236.698501	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+ACN+2H"	43.041102
"191501"	905.68296	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+2Na-H"	44.97116
"629723"	1336.03886	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+2Na-H"	44.97116
"1135663"	475.32706	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2Na-H"	44.97116
"174580"	453.345118	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+2Na"	45.978436
"613651"	668.523068	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+2Na"	45.978436
"1122029"	238.167168	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2Na"	45.978436
"1403370"	159.113870666667	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H+2Na"	46.985712
"1430420"	477.368646	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H+HCOOH"	47.012746
"220560"	458.37814	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+3H2O+2H"	56.04448
"1508865"	491.42069	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+IsoProp+H"	61.06479
"408682"	461.332088	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+Na+K"	61.952376
"772103"	676.510038	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+Na+K"	61.952376
"1675727"	246.154138	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Na+K"	61.952376
"254226"	924.727568	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+ACN+Na"	64.015768
"1225736"	494.371668	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+ACN+Na"	64.015768
"1713384"	494.395193	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+NH4+HCOOH"	64.039293
"1178982"	166.441184666667	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+3Na"	68.967654
"1654709"	499.350588	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Na+HCOOH"	68.994688
"159760"	937.63084	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+2K-H"	76.91904
"600049"	1367.98674	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+2K-H"	76.91904
"1086746"	507.27494	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2K-H"	76.91904
"146847"	469.319058	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"2M+2K"	77.926316
"583491"	684.497008	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"3M+2K"	77.926316
"1073107"	254.141108	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2K"	77.926316
"1104130"	509.289492	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2K+H"	78.933592
"1342702"	509.377107	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+DMSO+H"	79.021207
"1013423"	513.416276	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2ACN+H"	83.060376
"1533735"	514.409908	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+IsoProp+Na+H"	84.054008
"1005293"	257.211776	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+2ACN+2H"	84.067652
"1599793"	515.324528	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+K+HCOOH"	84.968628
"1426910"	545.356038	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+H+CF3COOH"	115.000138
"1162061"	277.725051	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+3ACN+2H"	125.094202
"1708935"	562.382585	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+NH4+CF3COOH"	132.026685
"1648963"	567.33798	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+Na+CF3COOH"	136.98208
"1586798"	583.31192	"C10821"	"Solanocapsine"	"C27H46N2O2"	"430.3559"	"M+K+CF3COOH"	152.95602
"812789"	413.3294	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M"	0
"980853"	394.31101	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-H2O-H"	-19.01839
"72375"	274.545657333333	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M-3H"	-3.021828
"514124"	412.322124	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M-3H"	-3.021828
"887551"	136.769190666667	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-3H"	-3.021828
"8313"	412.322124	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M-2H"	-2.014552
"444592"	618.986824	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M-2H"	-2.014552
"823488"	205.657424	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-2H"	-2.014552
"83482"	825.651524	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M-H"	-1.007276
"518790"	1238.980924	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M-H"	-1.007276
"898660"	412.322124	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-H"	-1.007276
"50849"	842.678071	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M-2H+NH4"	16.019271
"498066"	1256.007471	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M-2H+NH4"	16.019271
"869306"	429.348671	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-2H+NH4"	16.019271
"33930"	847.633466	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M-2H+Na"	20.974666
"471661"	1260.962866	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M-2H+Na"	20.974666
"849832"	434.304066	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-2H+Na"	20.974666
"1626291"	434.304066	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Na-2H"	20.974666
"100633"	430.310463	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M-H+Cl"	33.962126
"541286"	636.975163	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M-H+Cl"	33.962126
"932615"	223.645763	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-H+Cl"	33.962126
"271171"	861.628202	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+Cl"	34.969402
"662253"	1274.957602	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+Cl"	34.969402
"1277089"	448.298802	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Cl"	34.969402
"17822"	863.607406	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M-2H+K"	36.948606
"468691"	1276.936806	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M-2H+K"	36.948606
"839201"	450.278006	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-2H+K"	36.948606
"1561595"	450.278006	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+K-2H"	36.948606
"956042"	458.327594	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-H+HCOOH"	44.998194
"372801"	871.657001	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+HCOOH-H"	44.998201
"360941"	885.672651	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+Hac-H"	59.013851
"1506977"	472.343251	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Hac-H"	59.013851
"974025"	480.309551	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-H+NaCOOH"	66.980151
"125132"	448.298802	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+2Cl"	69.938804
"564811"	654.963502	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+2Cl"	69.938804
"1032148"	241.634102	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2Cl"	69.938804
"1252820"	492.248285	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Br"	78.918885
"1317093"	494.304272	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Cl+HCOOH"	80.974872
"1334470"	516.286229	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Cl+NaCOOH"	102.956829
"923457"	526.314986	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M-H+CF3COOH"	112.985586
"1301990"	562.291664	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Cl+CF3COOH"	148.962264
"1377964"	378.316724	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H-2H2O"	-35.012676
"1384899"	396.3267	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H-H2O"	-17.0027
"288957"	827.666076	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+H"	1.007276
"679193"	1240.995476	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+H"	1.007276
"1355540"	414.336676	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H"	1.007276
"129522"	414.336676	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+2H"	2.014552
"572360"	621.001376	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+2H"	2.014552
"1046628"	207.671976	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2H"	2.014552
"209062"	276.560209333333	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+3H"	3.021828
"650816"	414.336676	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+3H"	3.021828
"1170036"	138.783742666667	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+3H"	3.021828
"433307"	844.692623	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+NH4"	18.033823
"788834"	1258.022023	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+NH4"	18.033823
"1691727"	431.363223	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+NH4"	18.033823
"337819"	422.8499495	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+H+NH4"	19.041099
"728052"	629.5146495	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+H+NH4"	19.041099
"1482966"	216.1852495	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H+NH4"	19.041099
"397270"	849.648018	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+Na"	22.989218
"758267"	1262.977418	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+Na"	22.989218
"1608552"	436.318618	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Na"	22.989218
"318224"	425.327647	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+H+Na"	23.996494
"715382"	631.992347	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+H+Na"	23.996494
"1468110"	218.662947	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H+Na"	23.996494
"1060262"	146.111056666667	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2H+Na"	25.00377
"1258667"	446.362886	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+CH3OH+H"	33.033486
"383805"	865.621958	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+K"	38.963158
"748082"	1278.951358	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+K"	38.963158
"1546854"	452.292558	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+K"	38.963158
"304029"	433.314617	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+H+K"	39.970434
"695356"	639.979317	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+H+K"	39.970434
"1453551"	226.649917	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H+K"	39.970434
"239966"	868.692626	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+ACN+H"	42.033826
"1217046"	455.363226	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+ACN+H"	42.033826
"1199837"	228.185251	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+ACN+2H"	43.041102
"191615"	871.62996	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+2Na-H"	44.97116
"631171"	1284.95936	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+2Na-H"	44.97116
"1139053"	458.30056	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2Na-H"	44.97116
"175054"	436.318618	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+2Na"	45.978436
"613885"	642.983318	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+2Na"	45.978436
"1123233"	229.653918	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2Na"	45.978436
"1404939"	153.438370666667	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H+2Na"	46.985712
"1432679"	460.342146	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H+HCOOH"	47.012746
"221031"	441.35164	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+3H2O+2H"	56.04448
"1510436"	474.39419	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+IsoProp+H"	61.06479
"409028"	444.305588	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+Na+K"	61.952376
"772213"	650.970288	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+Na+K"	61.952376
"1668182"	237.640888	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Na+K"	61.952376
"252877"	890.674568	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+ACN+Na"	64.015768
"1226431"	477.345168	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+ACN+Na"	64.015768
"1717389"	477.368693	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+NH4+HCOOH"	64.039293
"1179822"	160.765684666667	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+3Na"	68.967654
"1653725"	482.324088	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Na+HCOOH"	68.994688
"159870"	903.57784	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+2K-H"	76.91904
"597972"	1316.90724	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+2K-H"	76.91904
"1085764"	490.24844	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2K-H"	76.91904
"151330"	452.292558	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"2M+2K"	77.926316
"582508"	658.957258	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"3M+2K"	77.926316
"1072124"	245.627858	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2K"	77.926316
"1105333"	492.262992	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2K+H"	78.933592
"1338437"	492.350607	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+DMSO+H"	79.021207
"1007330"	496.389776	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2ACN+H"	83.060376
"1525333"	497.383408	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+IsoProp+Na+H"	84.054008
"991539"	248.698526	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+2ACN+2H"	84.067652
"1599174"	498.298028	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+K+HCOOH"	84.968628
"1429089"	528.329538	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+H+CF3COOH"	115.000138
"1162050"	269.211801	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+3ACN+2H"	125.094202
"1709045"	545.356085	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+NH4+CF3COOH"	132.026685
"1648952"	550.31148	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+Na+CF3COOH"	136.98208
"1586908"	566.28542	"C10822"	"Solasodine"	"C27H43NO2"	"413.3294"	"M+K+CF3COOH"	152.95602
"812899"	390.1315	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M"	0
"980963"	371.11311	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-H2O-H"	-19.01839
"72486"	259.080390666667	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M-3H"	-3.021828
"513141"	389.124224	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M-3H"	-3.021828
"890944"	129.036557333333	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-3H"	-3.021828
"12798"	389.124224	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M-2H"	-2.014552
"450170"	584.189974	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M-2H"	-2.014552
"822505"	194.058474	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-2H"	-2.014552
"85779"	779.255724	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M-H"	-1.007276
"527528"	1169.387224	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M-H"	-1.007276
"905330"	389.124224	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-H"	-1.007276
"54239"	796.282271	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M-2H+NH4"	16.019271
"498544"	1186.413771	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M-2H+NH4"	16.019271
"874884"	406.150771	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-2H+NH4"	16.019271
"42785"	801.237666	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M-2H+Na"	20.974666
"484169"	1191.369166	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M-2H+Na"	20.974666
"856870"	411.106166	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-2H+Na"	20.974666
"1625309"	411.106166	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Na-2H"	20.974666
"104024"	407.112563	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M-H+Cl"	33.962126
"540303"	602.178313	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M-H+Cl"	33.962126
"931631"	212.046813	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-H+Cl"	33.962126
"272374"	815.232402	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+Cl"	34.969402
"666985"	1205.363902	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+Cl"	34.969402
"1276107"	425.100902	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Cl"	34.969402
"27782"	817.211606	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M-2H+K"	36.948606
"468437"	1207.343106	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M-2H+K"	36.948606
"843684"	427.080106	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-2H+K"	36.948606
"1566081"	427.080106	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+K-2H"	36.948606
"957248"	435.129694	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-H+HCOOH"	44.998194
"374736"	825.261201	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+HCOOH-H"	44.998201
"360075"	839.276851	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+Hac-H"	59.013851
"1507087"	449.145351	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Hac-H"	59.013851
"972806"	457.111651	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-H+NaCOOH"	66.980151
"123543"	425.100902	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+2Cl"	69.938804
"562374"	620.166652	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+2Cl"	69.938804
"1036154"	230.035152	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2Cl"	69.938804
"1255610"	469.050385	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Br"	78.918885
"1319353"	471.106372	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Cl+HCOOH"	80.974872
"1335431"	493.088329	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Cl+NaCOOH"	102.956829
"925760"	503.117086	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M-H+CF3COOH"	112.985586
"1303193"	539.093764	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Cl+CF3COOH"	148.962264
"1376250"	355.118824	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H-2H2O"	-35.012676
"1388289"	373.1288	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H-H2O"	-17.0027
"289067"	781.270276	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+H"	1.007276
"679303"	1171.401776	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+H"	1.007276
"1355652"	391.138776	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H"	1.007276
"130727"	391.138776	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+2H"	2.014552
"571379"	586.204526	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+2H"	2.014552
"1045646"	196.073026	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2H"	2.014552
"209173"	261.094942666667	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+3H"	3.021828
"646916"	391.138776	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+3H"	3.021828
"1170146"	131.051109333333	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+3H"	3.021828
"430137"	798.296823	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+NH4"	18.033823
"786390"	1188.428323	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+NH4"	18.033823
"1691837"	408.165323	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+NH4"	18.033823
"336835"	399.6520495	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+H+NH4"	19.041099
"725975"	594.7177995	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+H+NH4"	19.041099
"1486356"	204.5862995	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H+NH4"	19.041099
"400660"	803.252218	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+Na"	22.989218
"764937"	1193.383718	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+Na"	22.989218
"1610847"	413.120718	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Na"	22.989218
"320885"	402.129747	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+H+Na"	23.996494
"718773"	597.195497	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+H+Na"	23.996494
"1472594"	207.063997	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H+Na"	23.996494
"1063652"	138.378423333333	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2H+Na"	25.00377
"1262057"	423.164986	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+CH3OH+H"	33.033486
"380635"	819.226158	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+K"	38.963158
"747098"	1209.357658	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+K"	38.963158
"1544777"	429.094658	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+K"	38.963158
"304138"	410.116717	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+H+K"	39.970434
"700932"	605.182467	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+H+K"	39.970434
"1455847"	215.050967	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H+K"	39.970434
"243354"	822.296826	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+ACN+H"	42.033826
"1222989"	432.165326	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+ACN+H"	42.033826
"1206508"	216.586301	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+ACN+2H"	43.041102
"198286"	825.23416	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+2Na-H"	44.97116
"635659"	1215.36566	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+2Na-H"	44.97116
"1141350"	435.10266	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2Na-H"	44.97116
"180267"	413.120718	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+2Na"	45.978436
"618736"	608.186468	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+2Na"	45.978436
"1125529"	218.054968	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2Na"	45.978436
"1407965"	145.705737333333	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H+2Na"	46.985712
"1433153"	437.144246	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H+HCOOH"	47.012746
"220901"	418.15374	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+3H2O+2H"	56.04448
"1513826"	451.19629	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+IsoProp+H"	61.06479
"410961"	421.107688	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+Na+K"	61.952376
"775239"	616.173438	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+Na+K"	61.952376
"1667189"	226.041938	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Na+K"	61.952376
"254080"	844.278768	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+ACN+Na"	64.015768
"1229698"	454.147268	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+ACN+Na"	64.015768
"1717499"	454.170793	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+NH4+HCOOH"	64.039293
"1181757"	153.033051333333	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+3Na"	68.967654
"1657116"	459.126188	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Na+HCOOH"	68.994688
"162167"	857.18204	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+2K-H"	76.91904
"604643"	1247.31354	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+2K-H"	76.91904
"1088061"	467.05054	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2K-H"	76.91904
"151440"	429.094658	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"2M+2K"	77.926316
"585534"	624.160408	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"3M+2K"	77.926316
"1070046"	234.028908	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2K"	77.926316
"1101309"	469.065092	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2K+H"	78.933592
"1338543"	469.152707	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+DMSO+H"	79.021207
"1009263"	473.191876	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2ACN+H"	83.060376
"1527387"	474.185508	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+IsoProp+Na+H"	84.054008
"994924"	237.099576	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+2ACN+2H"	84.067652
"1597092"	475.100128	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+K+HCOOH"	84.968628
"1424939"	505.131638	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+H+CF3COOH"	115.000138
"1156322"	257.612851	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+3ACN+2H"	125.094202
"1708062"	522.158185	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+NH4+CF3COOH"	132.026685
"1644805"	527.11358	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+Na+CF3COOH"	136.98208
"1577176"	543.08752	"C10823"	"Populin"	"C20H22O8"	"390.1315"	"M+K+CF3COOH"	152.95602
"814102"	883.4929	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M"	0
"983260"	864.47451	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-H2O-H"	-19.01839
"72596"	587.987990666667	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M-3H"	-3.021828
"517625"	882.485624	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M-3H"	-3.021828
"893240"	293.490357333333	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-3H"	-3.021828
"12908"	882.485624	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M-2H"	-2.014552
"449187"	1324.232074	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M-2H"	-2.014552
"825896"	440.739174	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-2H"	-2.014552
"84065"	1765.978524	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M-H"	-1.007276
"524357"	2649.471424	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M-H"	-1.007276
"905440"	882.485624	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-H"	-1.007276
"56537"	1783.005071	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M-2H+NH4"	16.019271
"499380"	2666.497971	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M-2H+NH4"	16.019271
"876089"	899.512171	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-2H+NH4"	16.019271
"41802"	1787.960466	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M-2H+Na"	20.974666
"478083"	2671.453366	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M-2H+Na"	20.974666
"850419"	904.467566	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-2H+Na"	20.974666
"1625417"	904.467566	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Na-2H"	20.974666
"99760"	900.473963	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M-H+Cl"	33.962126
"539318"	1342.220413	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M-H+Cl"	33.962126
"933925"	458.727513	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-H+Cl"	33.962126
"271755"	1801.955202	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+Cl"	34.969402
"661990"	2685.448102	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+Cl"	34.969402
"1276577"	918.462302	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Cl"	34.969402
"26429"	1803.934406	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M-2H+K"	36.948606
"469276"	2687.427306	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M-2H+K"	36.948606
"843797"	920.441506	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-2H+K"	36.948606
"1566191"	920.441506	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+K-2H"	36.948606
"948606"	928.491094	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-H+HCOOH"	44.998194
"375939"	1811.984001	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+HCOOH-H"	44.998201
"356173"	1825.999651	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+Hac-H"	59.013851
"1507926"	942.506751	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Hac-H"	59.013851
"973280"	950.473051	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-H+NaCOOH"	66.980151
"124012"	918.462302	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+2Cl"	69.938804
"563578"	1360.208752	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+2Cl"	69.938804
"1034192"	476.715852	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2Cl"	69.938804
"1254862"	962.411785	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Br"	78.918885
"1317675"	964.467772	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Cl+HCOOH"	80.974872
"1334688"	986.449729	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Cl+NaCOOH"	102.956829
"921490"	996.478486	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M-H+CF3COOH"	112.985586
"1297105"	1032.455164	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Cl+CF3COOH"	148.962264
"1374174"	848.480224	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H-2H2O"	-35.012676
"1385119"	866.4902	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H-H2O"	-17.0027
"285897"	1767.993076	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+H"	1.007276
"681598"	2651.485976	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+H"	1.007276
"1355760"	884.500176	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H"	1.007276
"131927"	884.500176	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+2H"	2.014552
"569300"	1326.246626	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+2H"	2.014552
"1043568"	442.753726	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2H"	2.014552
"207093"	590.002542666667	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+3H"	3.021828
"646297"	884.500176	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+3H"	3.021828
"1170256"	295.504909333333	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+3H"	3.021828
"430247"	1785.019623	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+NH4"	18.033823
"789054"	2668.512523	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+NH4"	18.033823
"1689760"	901.526723	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+NH4"	18.033823
"339132"	893.0134495	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+H+NH4"	19.041099
"729365"	1334.7598995	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+H+NH4"	19.041099
"1486466"	451.2669995	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H+NH4"	19.041099
"399677"	1789.975018	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+Na"	22.989218
"761767"	2673.467918	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+Na"	22.989218
"1607678"	906.482118	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Na"	22.989218
"317714"	895.491147	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+H+Na"	23.996494
"714510"	1337.237597	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+H+Na"	23.996494
"1466144"	453.744697	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H+Na"	23.996494
"1056109"	302.832223333333	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2H+Na"	25.00377
"1262167"	916.526386	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+CH3OH+H"	33.033486
"382931"	1805.948958	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+K"	38.963158
"747208"	2689.441858	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+K"	38.963158
"1544887"	922.456058	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+K"	38.963158
"303155"	903.478117	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+H+K"	39.970434
"699949"	1345.224567	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+H+K"	39.970434
"1454864"	461.731667	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H+K"	39.970434
"242373"	1809.019626	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+ACN+H"	42.033826
"1220548"	925.526726	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+ACN+H"	42.033826
"1198966"	463.267001	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+ACN+2H"	43.041102
"197302"	1811.95696	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+2Na-H"	44.97116
"634675"	2695.44986	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+2Na-H"	44.97116
"1139274"	928.46406	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2Na-H"	44.97116
"177098"	906.482118	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+2Na"	45.978436
"612957"	1348.228568	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+2Na"	45.978436
"1126732"	464.735668	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2Na"	45.978436
"1408075"	310.159537333333	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H+2Na"	46.985712
"1434722"	930.505646	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H+HCOOH"	47.012746
"221499"	911.51514	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+3H2O+2H"	56.04448
"1513572"	944.55769	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+IsoProp+H"	61.06479
"411071"	914.469088	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+Na+K"	61.952376
"775349"	1356.215538	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+Na+K"	61.952376
"1667303"	472.722638	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Na+K"	61.952376
"252854"	1831.001568	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+ACN+Na"	64.015768
"1227626"	947.508668	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+ACN+Na"	64.015768
"1717609"	947.532193	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+NH4+HCOOH"	64.039293
"1181867"	317.486851333333	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+3Na"	68.967654
"1657227"	952.487588	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Na+HCOOH"	68.994688
"161901"	1843.90484	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+2K-H"	76.91904
"605846"	2727.39774	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+2K-H"	76.91904
"1090358"	960.41194	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2K-H"	76.91904
"151550"	922.456058	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"2M+2K"	77.926316
"585644"	1364.202508	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"3M+2K"	77.926316
"1071249"	480.709608	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2K"	77.926316
"1102513"	962.426492	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2K+H"	78.933592
"1339744"	962.514107	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+DMSO+H"	79.021207
"1010462"	966.553276	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2ACN+H"	83.060376
"1527858"	967.546908	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+IsoProp+Na+H"	84.054008
"992120"	483.780276	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+2ACN+2H"	84.067652
"1590997"	968.461528	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+K+HCOOH"	84.968628
"1427235"	998.493038	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+H+CF3COOH"	115.000138
"1157525"	504.293551	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+3ACN+2H"	125.094202
"1710358"	1015.519585	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+NH4+CF3COOH"	132.026685
"1642728"	1020.47498	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+Na+CF3COOH"	136.98208
"1580566"	1036.44892	"C10824"	"Solasonine"	"C45H73NO16"	"883.4929"	"M+K+CF3COOH"	152.95602
"814212"	363.3137	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M"	0
"980090"	344.29531	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-H2O-H"	-19.01839
"72706"	241.201857333333	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M-3H"	-3.021828
"514455"	362.306424	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M-3H"	-3.021828
"893350"	120.097290666667	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-3H"	-3.021828
"13018"	362.306424	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M-2H"	-2.014552
"450390"	543.963274	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M-2H"	-2.014552
"827099"	180.649574	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-2H"	-2.014552
"85268"	725.620124	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M-H"	-1.007276
"524468"	1088.933824	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M-H"	-1.007276
"905550"	362.306424	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-H"	-1.007276
"54461"	742.646671	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M-2H+NH4"	16.019271
"499490"	1105.960371	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M-2H+NH4"	16.019271
"875835"	379.332971	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-2H+NH4"	16.019271
"43007"	747.602066	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M-2H+Na"	20.974666
"480380"	1110.915766	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M-2H+Na"	20.974666
"850529"	384.288366	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-2H+Na"	20.974666
"1623340"	384.288366	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Na-2H"	20.974666
"97683"	380.294763	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M-H+Cl"	33.962126
"541614"	561.951613	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M-H+Cl"	33.962126
"935128"	198.637913	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-H+Cl"	33.962126
"272591"	761.596802	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+Cl"	34.969402
"663922"	1124.910502	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+Cl"	34.969402
"1276322"	398.283102	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Cl"	34.969402
"24352"	763.576006	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M-2H+K"	36.948606
"470480"	1126.889706	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M-2H+K"	36.948606
"842814"	400.262306	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-2H+K"	36.948606
"1566301"	400.262306	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+K-2H"	36.948606
"948716"	408.311894	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-H+HCOOH"	44.998194
"376050"	771.625601	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+HCOOH-H"	44.998201
"355919"	785.641251	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+Hac-H"	59.013851
"1503294"	422.327551	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Hac-H"	59.013851
"973025"	430.293851	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-H+NaCOOH"	66.980151
"123025"	398.283102	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+2Cl"	69.938804
"562952"	579.939952	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+2Cl"	69.938804
"1034665"	216.626252	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2Cl"	69.938804
"1254243"	442.232585	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Br"	78.918885
"1317057"	444.288572	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Cl+HCOOH"	80.974872
"1333948"	466.270529	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Cl+NaCOOH"	102.956829
"922329"	476.299286	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M-H+CF3COOH"	112.985586
"1297215"	512.275964	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Cl+CF3COOH"	148.962264
"1374284"	328.301024	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H-2H2O"	-35.012676
"1385229"	346.311	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H-H2O"	-17.0027
"284913"	727.634676	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+H"	1.007276
"679520"	1090.948376	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+H"	1.007276
"1355869"	364.320976	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H"	1.007276
"129850"	364.320976	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+2H"	2.014552
"567222"	545.977826	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+2H"	2.014552
"1038694"	182.664126	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2H"	2.014552
"208294"	243.216409333333	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+3H"	3.021828
"648959"	364.320976	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+3H"	3.021828
"1169273"	122.111842666667	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+3H"	3.021828
"430357"	744.661223	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+NH4"	18.033823
"789164"	1107.974923	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+NH4"	18.033823
"1689870"	381.347523	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+NH4"	18.033823
"339242"	372.8342495	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+H+NH4"	19.041099
"729475"	554.4910995	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+H+NH4"	19.041099
"1486576"	191.1773995	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H+NH4"	19.041099
"399787"	749.616618	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+Na"	22.989218
"758597"	1112.930318	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+Na"	22.989218
"1607788"	386.302918	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Na"	22.989218
"318917"	375.311947	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+H+Na"	23.996494
"714619"	556.968797	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+H+Na"	23.996494
"1467347"	193.655097	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H+Na"	23.996494
"1057312"	129.439156666667	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2H+Na"	25.00377
"1262277"	396.347186	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+CH3OH+H"	33.033486
"384131"	765.590558	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+K"	38.963158
"747318"	1128.904258	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+K"	38.963158
"1543903"	402.276858	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+K"	38.963158
"301077"	383.298917	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+H+K"	39.970434
"698966"	564.955767	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+H+K"	39.970434
"1454974"	201.642067	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H+K"	39.970434
"239202"	768.661226	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+ACN+H"	42.033826
"1220658"	405.347526	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+ACN+H"	42.033826
"1199075"	203.177401	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+ACN+2H"	43.041102
"193038"	771.59856	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+2Na-H"	44.97116
"630773"	1134.91226	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+2Na-H"	44.97116
"1133187"	408.28486	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2Na-H"	44.97116
"173561"	386.302918	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+2Na"	45.978436
"613847"	567.959768	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+2Na"	45.978436
"1125749"	204.646068	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2Na"	45.978436
"1405998"	136.766470666667	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H+2Na"	46.985712
"1434832"	410.326446	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H+HCOOH"	47.012746
"221244"	391.33594	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+3H2O+2H"	56.04448
"1511858"	424.37849	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+IsoProp+H"	61.06479
"413002"	394.289888	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+Na+K"	61.952376
"775459"	575.946738	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+Na+K"	61.952376
"1668869"	212.633038	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Na+K"	61.952376
"253933"	790.643168	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+ACN+Na"	64.015768
"1228464"	427.329468	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+ACN+Na"	64.015768
"1718809"	427.352993	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+NH4+HCOOH"	64.039293
"1184164"	144.093784666667	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+3Na"	68.967654
"1655150"	432.308388	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Na+HCOOH"	68.994688
"159096"	803.54644	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+2K-H"	76.91904
"608143"	1166.86014	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+2K-H"	76.91904
"1090468"	440.23274	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2K-H"	76.91904
"152754"	402.276858	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"2M+2K"	77.926316
"590127"	583.933708	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"3M+2K"	77.926316
"1076826"	220.620008	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2K"	77.926316
"1102381"	442.247292	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2K+H"	78.933592
"1342040"	442.334907	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+DMSO+H"	79.021207
"1010572"	446.374076	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2ACN+H"	83.060376
"1526875"	447.367708	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+IsoProp+Na+H"	84.054008
"993323"	223.690676	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+2ACN+2H"	84.067652
"1590743"	448.282328	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+K+HCOOH"	84.968628
"1426252"	478.313838	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+H+CF3COOH"	115.000138
"1157635"	244.203951	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+3ACN+2H"	125.094202
"1710468"	495.340385	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+NH4+CF3COOH"	132.026685
"1642838"	500.29578	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+Na+CF3COOH"	136.98208
"1580676"	516.26972	"C10825"	"Terminaline"	"C23H41NO2"	"363.3137"	"M+K+CF3COOH"	152.95602
"815416"	415.345	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M"	0
"986761"	396.32661	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-H2O-H"	-19.01839
"76097"	275.889390666667	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M-3H"	-3.021828
"511287"	414.337724	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M-3H"	-3.021828
"892368"	137.441057333333	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-3H"	-3.021828
"14347"	414.337724	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M-2H"	-2.014552
"452691"	622.010224	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M-2H"	-2.014552
"827216"	206.665224	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-2H"	-2.014552
"85016"	829.682724	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M-H"	-1.007276
"521299"	1245.027724	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M-H"	-1.007276
"902381"	414.337724	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-H"	-1.007276
"55665"	846.709271	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M-2H+NH4"	16.019271
"498144"	1262.054271	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M-2H+NH4"	16.019271
"875947"	431.364271	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-2H+NH4"	16.019271
"42752"	851.664666	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M-2H+Na"	20.974666
"475022"	1267.009666	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M-2H+Na"	20.974666
"850639"	436.319666	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-2H+Na"	20.974666
"1622357"	436.319666	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Na-2H"	20.974666
"97793"	432.326063	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M-H+Cl"	33.962126
"542820"	639.998563	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M-H+Cl"	33.962126
"934145"	224.653563	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-H+Cl"	33.962126
"272702"	865.659402	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+Cl"	34.969402
"664032"	1281.004402	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+Cl"	34.969402
"1275340"	450.314402	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Cl"	34.969402
"24460"	867.638606	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M-2H+K"	36.948606
"467671"	1282.983606	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M-2H+K"	36.948606
"841831"	452.293606	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-2H+K"	36.948606
"1564224"	452.293606	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+K-2H"	36.948606
"949919"	460.343194	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-H+HCOOH"	44.998194
"374700"	875.688201	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+HCOOH-H"	44.998201
"353113"	889.703851	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+Hac-H"	59.013851
"1503768"	474.358851	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Hac-H"	59.013851
"973136"	482.325151	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-H+NaCOOH"	66.980151
"123500"	450.314402	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+2Cl"	69.938804
"563062"	657.986902	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+2Cl"	69.938804
"1034411"	242.641902	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2Cl"	69.938804
"1254353"	494.263885	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Br"	78.918885
"1316072"	496.319872	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Cl+HCOOH"	80.974872
"1335273"	518.301829	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Cl+NaCOOH"	102.956829
"922440"	528.330586	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M-H+CF3COOH"	112.985586
"1301700"	564.307264	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Cl+CF3COOH"	148.962264
"1376216"	380.332324	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H-2H2O"	-35.012676
"1388620"	398.3423	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H-H2O"	-17.0027
"289398"	831.697276	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+H"	1.007276
"682911"	1247.042276	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+H"	1.007276
"1357072"	416.352276	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H"	1.007276
"131053"	416.352276	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+2H"	2.014552
"568790"	624.024776	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+2H"	2.014552
"1043788"	208.679776	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2H"	2.014552
"209501"	277.903942666667	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+3H"	3.021828
"649069"	416.352276	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+3H"	3.021828
"1169383"	139.455609333333	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+3H"	3.021828
"432654"	848.723823	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+NH4"	18.033823
"790368"	1264.068823	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+NH4"	18.033823
"1693262"	433.378823	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+NH4"	18.033823
"339352"	424.8655495	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+H+NH4"	19.041099
"731772"	632.5380495	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+H+NH4"	19.041099
"1486687"	217.1930495	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H+NH4"	19.041099
"400991"	853.679218	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+Na"	22.989218
"758707"	1269.024218	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+Na"	22.989218
"1608991"	438.334218	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Na"	22.989218
"319029"	427.343247	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+H+Na"	23.996494
"716916"	635.015747	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+H+Na"	23.996494
"1471831"	219.670747	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H+Na"	23.996494
"1061796"	146.782923333333	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2H+Na"	25.00377
"1262387"	448.378486	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+CH3OH+H"	33.033486
"384241"	869.653158	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+K"	38.963158
"743053"	1284.998158	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+K"	38.963158
"1542918"	454.308158	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+K"	38.963158
"304466"	435.330217	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+H+K"	39.970434
"701262"	643.002717	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+H+K"	39.970434
"1455084"	227.657717	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H+K"	39.970434
"242594"	872.723826	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+ACN+H"	42.033826
"1222955"	457.378826	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+ACN+H"	42.033826
"1200279"	229.193051	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+ACN+2H"	43.041102
"191325"	875.66116	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+2Na-H"	44.97116
"630886"	1291.00616	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+2Na-H"	44.97116
"1133661"	460.31616	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2Na-H"	44.97116
"174763"	438.334218	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+2Na"	45.978436
"613476"	646.006718	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+2Na"	45.978436
"1121850"	230.661718	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2Na"	45.978436
"1406108"	154.110237333333	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H+2Na"	46.985712
"1436036"	462.357746	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H+HCOOH"	47.012746
"223542"	443.36724	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+3H2O+2H"	56.04448
"1513791"	476.40979	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+IsoProp+H"	61.06479
"417487"	446.321188	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+Na+K"	61.952376
"775569"	653.993688	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+Na+K"	61.952376
"1669710"	238.648688	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Na+K"	61.952376
"258417"	894.705768	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+ACN+Na"	64.015768
"1231127"	479.360768	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+ACN+Na"	64.015768
"1722199"	479.384293	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+NH4+HCOOH"	64.039293
"1185368"	161.437551333333	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+3Na"	68.967654
"1657448"	484.339688	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Na+HCOOH"	68.994688
"159936"	907.60904	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+2K-H"	76.91904
"601691"	1322.95404	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+2K-H"	76.91904
"1090578"	492.26404	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2K-H"	76.91904
"151407"	454.308158	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"2M+2K"	77.926316
"592425"	661.980658	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"3M+2K"	77.926316
"1079123"	246.635658	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2K"	77.926316
"1103584"	494.278592	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2K+H"	78.933592
"1338871"	494.366207	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+DMSO+H"	79.021207
"1007400"	498.405376	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2ACN+H"	83.060376
"1526620"	499.399008	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+IsoProp+Na+H"	84.054008
"993068"	249.706326	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+2ACN+2H"	84.067652
"1593040"	500.313628	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+K+HCOOH"	84.968628
"1415419"	530.345138	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+H+CF3COOH"	115.000138
"1157745"	270.219601	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+3ACN+2H"	125.094202
"1709485"	547.371685	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+NH4+CF3COOH"	132.026685
"1642948"	552.32708	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+Na+CF3COOH"	136.98208
"1574225"	568.30102	"C10826"	"Tomatidine"	"C27H45NO2"	"415.345"	"M+K+CF3COOH"	152.95602
"816256"	1033.5458	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M"	0
"986871"	1014.52741	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-H2O-H"	-19.01839
"76207"	688.023257333333	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M-3H"	-3.021828
"508116"	1032.538524	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M-3H"	-3.021828
"895154"	343.507990666667	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-3H"	-3.021828
"15431"	1032.538524	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M-2H"	-2.014552
"447334"	1549.311424	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M-2H"	-2.014552
"829146"	515.765624	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-2H"	-2.014552
"87312"	2066.084324	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M-H"	-1.007276
"521409"	3099.630124	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M-H"	-1.007276
"902490"	1032.538524	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-H"	-1.007276
"53586"	2083.110871	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M-2H+NH4"	16.019271
"497521"	3116.656671	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M-2H+NH4"	16.019271
"873135"	1049.565071	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-2H+NH4"	16.019271
"43590"	2088.066266	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M-2H+Na"	20.974666
"477319"	3121.612066	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M-2H+Na"	20.974666
"854028"	1054.520466	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-2H+Na"	20.974666
"1622467"	1054.520466	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Na-2H"	20.974666
"98996"	1050.526863	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M-H+Cl"	33.962126
"544753"	1567.299763	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M-H+Cl"	33.962126
"936442"	533.753963	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-H+Cl"	33.962126
"272812"	2102.061002	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+Cl"	34.969402
"666328"	3135.606802	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+Cl"	34.969402
"1276543"	1068.515202	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Cl"	34.969402
"24570"	2104.040206	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M-2H+K"	36.948606
"467415"	3137.586006	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M-2H+K"	36.948606
"837931"	1070.494406	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-2H+K"	36.948606
"1562145"	1070.494406	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+K-2H"	36.948606
"952214"	1078.543994	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-H+HCOOH"	44.998194
"375175"	2112.089801	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+HCOOH-H"	44.998201
"351036"	2126.105451	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+Hac-H"	59.013851
"1498775"	1092.559651	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Hac-H"	59.013851
"969598"	1100.525951	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-H+NaCOOH"	66.980151
"123610"	1068.515202	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+2Cl"	69.938804
"561348"	1585.288102	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+2Cl"	69.938804
"1032333"	551.742302	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2Cl"	69.938804
"1253004"	1112.464685	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Br"	78.918885
"1313266"	1114.520672	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Cl+HCOOH"	80.974872
"1329670"	1136.502629	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Cl+NaCOOH"	102.956829
"920727"	1146.531386	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M-H+CF3COOH"	112.985586
"1300715"	1182.508064	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Cl+CF3COOH"	148.962264
"1373774"	998.533124	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H-2H2O"	-35.012676
"1388730"	1016.5431	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H-H2O"	-17.0027
"289508"	2068.098876	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+H"	1.007276
"680104"	3101.644676	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+H"	1.007276
"1357182"	1034.553076	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H"	1.007276
"130433"	1034.553076	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+2H"	2.014552
"572908"	1551.325976	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+2H"	2.014552
"1041711"	517.780176	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2H"	2.014552
"210704"	690.037809333333	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+3H"	3.021828
"650272"	1034.553076	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+3H"	3.021828
"1171679"	345.522542666667	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+3H"	3.021828
"433857"	2085.125423	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+NH4"	18.033823
"790478"	3118.671223	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+NH4"	18.033823
"1695559"	1051.579623	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+NH4"	18.033823
"339462"	1043.0663495	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+H+NH4"	19.041099
"731882"	1559.8392495	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+H+NH4"	19.041099
"1486797"	526.2934495	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H+NH4"	19.041099
"400008"	2090.080818	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+Na"	22.989218
"759910"	3123.626618	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+Na"	22.989218
"1612381"	1056.535018	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Na"	22.989218
"325699"	1045.544047	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+H+Na"	23.996494
"719944"	1562.316947	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+H+Na"	23.996494
"1476316"	528.771147	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H+Na"	23.996494
"1066281"	352.849856666667	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2H+Na"	25.00377
"1265777"	1066.579286	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+CH3OH+H"	33.033486
"382165"	2106.054758	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+K"	38.963158
"745347"	3139.600558	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+K"	38.963158
"1545214"	1072.508958	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+K"	38.963158
"305669"	1053.531017	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+H+K"	39.970434
"702465"	1570.303917	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+H+K"	39.970434
"1456285"	536.758117	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H+K"	39.970434
"243797"	2109.125426	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+ACN+H"	42.033826
"1218692"	1075.579626	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+ACN+H"	42.033826
"1203669"	538.293451	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+ACN+2H"	43.041102
"192165"	2112.06276	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+2Na-H"	44.97116
"631727"	3145.60856	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+2Na-H"	44.97116
"1133044"	1078.51696	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2Na-H"	44.97116
"175237"	1056.535018	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+2Na"	45.978436
"614438"	1573.307918	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+2Na"	45.978436
"1122323"	539.762118	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2Na"	45.978436
"1406218"	360.177170666667	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H+2Na"	46.985712
"1435052"	1080.558546	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H+HCOOH"	47.012746
"224380"	1061.56804	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+3H2O+2H"	56.04448
"1510254"	1094.61059	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+IsoProp+H"	61.06479
"412128"	1064.521988	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+Na+K"	61.952376
"773493"	1581.294888	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+Na+K"	61.952376
"1673101"	547.749088	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Na+K"	61.952376
"263631"	2131.107368	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+ACN+Na"	64.015768
"1230144"	1097.561568	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+ACN+Na"	64.015768
"1719029"	1097.585093	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+NH4+HCOOH"	64.039293
"1185478"	367.504484666667	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+3Na"	68.967654
"1658651"	1102.540488	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Na+HCOOH"	68.994688
"161139"	2144.01064	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+2K-H"	76.91904
"606165"	3177.55644	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+2K-H"	76.91904
"1090688"	1110.46484	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2K-H"	76.91904
"150786"	1072.508958	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"2M+2K"	77.926316
"592173"	1589.281858	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"3M+2K"	77.926316
"1073765"	555.736058	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2K"	77.926316
"1101381"	1112.479392	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2K+H"	78.933592
"1338252"	1112.567007	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+DMSO+H"	79.021207
"1008603"	1116.606176	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2ACN+H"	83.060376
"1525995"	1117.599808	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+IsoProp+Na+H"	84.054008
"992085"	558.806726	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+2ACN+2H"	84.067652
"1592057"	1118.514428	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+K+HCOOH"	84.968628
"1416623"	1148.545938	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+H+CF3COOH"	115.000138
"1157855"	579.320001	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+3ACN+2H"	125.094202
"1711417"	1165.572485	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+NH4+CF3COOH"	132.026685
"1643058"	1170.52788	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+Na+CF3COOH"	136.98208
"1575428"	1186.50182	"C10827"	"Tomatine"	"C50H83NO21"	"1033.5458"	"M+K+CF3COOH"	152.95602
"816729"	509.2989	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M"	0
"986981"	490.28051	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-H2O-H"	-19.01839
"76317"	338.525324	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M-3H"	-3.021828
"507133"	508.291624	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M-3H"	-3.021828
"892589"	168.759024	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-3H"	-3.021828
"15699"	508.291624	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M-2H"	-2.014552
"447444"	762.941074	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M-2H"	-2.014552
"829620"	253.642174	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-2H"	-2.014552
"88515"	1017.590524	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M-H"	-1.007276
"524796"	1526.889424	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M-H"	-1.007276
"902600"	508.291624	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-H"	-1.007276
"53695"	1034.617071	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M-2H+NH4"	16.019271
"495443"	1543.915971	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M-2H+NH4"	16.019271
"873245"	525.318171	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-2H+NH4"	16.019271
"40053"	1039.572466	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M-2H+Na"	20.974666
"479616"	1548.871366	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M-2H+Na"	20.974666
"854138"	530.273566	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-2H+Na"	20.974666
"1625857"	530.273566	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Na-2H"	20.974666
"99106"	526.279963	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M-H+Cl"	33.962126
"544133"	780.929413	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M-H+Cl"	33.962126
"933272"	271.630513	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-H+Cl"	33.962126
"271829"	1053.567202	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+Cl"	34.969402
"665345"	1562.866102	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+Cl"	34.969402
"1276652"	544.268302	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Cl"	34.969402
"24680"	1055.546406	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M-2H+K"	36.948606
"469347"	1564.845306	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M-2H+K"	36.948606
"839862"	546.247506	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-2H+K"	36.948606
"1564441"	546.247506	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+K-2H"	36.948606
"952322"	554.297094	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-H+HCOOH"	44.998194
"371638"	1063.596001	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+HCOOH-H"	44.998201
"350778"	1077.611651	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+Hac-H"	59.013851
"1498155"	568.312751	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Hac-H"	59.013851
"970072"	576.279051	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-H+NaCOOH"	66.980151
"117521"	544.268302	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+2Cl"	69.938804
"561455"	798.917752	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+2Cl"	69.938804
"1028067"	289.618852	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2Cl"	69.938804
"1246552"	588.217785	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Br"	78.918885
"1308637"	590.273772	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Cl+HCOOH"	80.974872
"1325406"	612.255729	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Cl+NaCOOH"	102.956829
"916462"	622.284486	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M-H+CF3COOH"	112.985586
"1294263"	658.261164	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Cl+CF3COOH"	148.962264
"1370240"	474.286224	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H-2H2O"	-35.012676
"1387016"	492.2962	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H-H2O"	-17.0027
"288522"	1019.605076	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+H"	1.007276
"679850"	1528.903976	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+H"	1.007276
"1353282"	510.306176	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H"	1.007276
"126899"	510.306176	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+2H"	2.014552
"567187"	764.955626	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+2H"	2.014552
"1039634"	255.656726	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2H"	2.014552
"206440"	340.539876	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+3H"	3.021828
"649289"	510.306176	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+3H"	3.021828
"1170696"	170.773576	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+3H"	3.021828
"433967"	1036.631623	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+NH4"	18.033823
"789859"	1545.930523	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+NH4"	18.033823
"1692390"	527.332723	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+NH4"	18.033823
"339572"	518.8194495	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+H+NH4"	19.041099
"731992"	773.4688995	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+H+NH4"	19.041099
"1486906"	264.1699995	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H+NH4"	19.041099
"399024"	1041.587018	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+Na"	22.989218
"760020"	1550.885918	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+Na"	22.989218
"1614678"	532.288118	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Na"	22.989218
"320342"	521.297147	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+H+Na"	23.996494
"712763"	775.946597	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+H+Na"	23.996494
"1474239"	266.647697	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H+Na"	23.996494
"1064204"	178.10089	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2H+Na"	25.00377
"1260418"	542.332386	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+CH3OH+H"	33.033486
"378994"	1057.560958	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+K"	38.963158
"742177"	1566.859858	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+K"	38.963158
"1548602"	548.262058	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+K"	38.963158
"310152"	529.284117	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+H+K"	39.970434
"699295"	783.933567	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+H+K"	39.970434
"1455302"	274.634667	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H+K"	39.970434
"244997"	1060.631626	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+ACN+H"	42.033826
"1214428"	551.332726	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+ACN+H"	42.033826
"1202685"	276.170001	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+ACN+2H"	43.041102
"192276"	1063.56896	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+2Na-H"	44.97116
"629527"	1572.86786	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+2Na-H"	44.97116
"1133882"	554.27006	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2Na-H"	44.97116
"173279"	532.288118	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+2Na"	45.978436
"614668"	786.937568	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+2Na"	45.978436
"1123161"	277.638668	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2Na"	45.978436
"1405235"	185.428204	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H+2Na"	46.985712
"1435162"	556.311646	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H+HCOOH"	47.012746
"220515"	537.32114	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+3H2O+2H"	56.04448
"1509999"	570.36369	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+IsoProp+H"	61.06479
"412238"	540.275088	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+Na+K"	61.952376
"773603"	794.924538	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+Na+K"	61.952376
"1672118"	285.625638	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Na+K"	61.952376
"263741"	1082.613568	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+ACN+Na"	64.015768
"1230254"	573.314668	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+ACN+Na"	64.015768
"1720232"	573.338193	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+NH4+HCOOH"	64.039293
"1186681"	192.755518	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+3Na"	68.967654
"1658761"	578.293588	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Na+HCOOH"	68.994688
"163435"	1095.51684	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+2K-H"	76.91904
"606276"	1604.81574	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+2K-H"	76.91904
"1090798"	586.21794	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2K-H"	76.91904
"151989"	548.262058	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"2M+2K"	77.926316
"592283"	802.911508	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"3M+2K"	77.926316
"1073875"	293.612608	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2K"	77.926316
"1101978"	588.232492	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2K+H"	78.933592
"1338726"	588.320107	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+DMSO+H"	79.021207
"1006889"	592.359276	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2ACN+H"	83.060376
"1526469"	593.352908	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+IsoProp+Na+H"	84.054008
"992195"	296.683276	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+2ACN+2H"	84.067652
"1590344"	594.267528	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+K+HCOOH"	84.968628
"1416003"	624.299038	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+H+CF3COOH"	115.000138
"1157965"	317.196551	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+3ACN+2H"	125.094202
"1711163"	641.325585	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+NH4+CF3COOH"	132.026685
"1643168"	646.28098	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+Na+CF3COOH"	136.98208
"1574445"	662.25492	"C10828"	"Veracevine;Cevane-3-beta4-beta121416-beta1720-heptol 49-epoxy-"	"C27H43NO8"	"509.2989"	"M+K+CF3COOH"	152.95602
"815746"	409.2981	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M"	0
"987092"	390.27971	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-H2O-H"	-19.01839
"76429"	271.858124	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M-3H"	-3.021828
"510524"	408.290824	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M-3H"	-3.021828
"892699"	135.425424	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-3H"	-3.021828
"13460"	408.290824	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M-2H"	-2.014552
"451931"	612.939874	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M-2H"	-2.014552
"828639"	203.641774	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-2H"	-2.014552
"87534"	817.588924	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M-H"	-1.007276
"528186"	1226.887024	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M-H"	-1.007276
"901617"	408.290824	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-H"	-1.007276
"53806"	834.615471	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M-2H+NH4"	16.019271
"496648"	1243.913571	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M-2H+NH4"	16.019271
"871169"	425.317371	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-2H+NH4"	16.019271
"37978"	839.570866	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M-2H+Na"	20.974666
"481912"	1248.868966	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M-2H+Na"	20.974666
"856434"	430.272766	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-2H+Na"	20.974666
"1624875"	430.272766	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Na-2H"	20.974666
"101403"	426.279163	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M-H+Cl"	33.962126
"540962"	630.928213	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M-H+Cl"	33.962126
"934475"	221.630113	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-H+Cl"	33.962126
"270845"	853.565602	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+Cl"	34.969402
"664362"	1262.863702	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+Cl"	34.969402
"1276035"	444.267502	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Cl"	34.969402
"23697"	855.544806	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M-2H+K"	36.948606
"465449"	1264.842906	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M-2H+K"	36.948606
"842163"	446.246706	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-2H+K"	36.948606
"1563461"	446.246706	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+K-2H"	36.948606
"950249"	454.296294	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-H+HCOOH"	44.998194
"370655"	863.594401	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+HCOOH-H"	44.998201
"356727"	877.610051	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+Hac-H"	59.013851
"1506653"	468.311951	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Hac-H"	59.013851
"968726"	476.278251	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-H+NaCOOH"	66.980151
"123102"	444.267502	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+2Cl"	69.938804
"563756"	648.916552	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+2Cl"	69.938804
"1024898"	239.618452	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2Cl"	69.938804
"1244840"	488.216985	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Br"	78.918885
"1311300"	490.272972	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Cl+HCOOH"	80.974872
"1325516"	512.254929	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Cl+NaCOOH"	102.956829
"915480"	522.283686	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M-H+CF3COOH"	112.985586
"1293281"	558.260364	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Cl+CF3COOH"	148.962264
"1371445"	374.285424	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H-2H2O"	-35.012676
"1385669"	392.2954	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H-H2O"	-17.0027
"285355"	819.603476	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+H"	1.007276
"677409"	1228.901576	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+H"	1.007276
"1351391"	410.305376	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H"	1.007276
"127010"	410.305376	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+2H"	2.014552
"565965"	614.954426	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+2H"	2.014552
"1039745"	205.656326	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2H"	2.014552
"204311"	273.872676	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+3H"	3.021828
"650859"	410.305376	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+3H"	3.021828
"1174090"	137.439976	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+3H"	3.021828
"431163"	836.630023	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+NH4"	18.033823
"788146"	1245.928123	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+NH4"	18.033823
"1687032"	427.331923	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+NH4"	18.033823
"335674"	418.8186495	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+H+NH4"	19.041099
"729916"	623.4676995	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+H+NH4"	19.041099
"1483007"	214.1695995	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H+NH4"	19.041099
"398043"	841.585418	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+Na"	22.989218
"760132"	1250.883518	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+Na"	22.989218
"1608229"	432.287318	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Na"	22.989218
"319360"	421.296347	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+H+Na"	23.996494
"713968"	625.945397	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+H+Na"	23.996494
"1471069"	216.647297	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H+Na"	23.996494
"1061034"	144.76729	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2H+Na"	25.00377
"1261983"	442.331586	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+CH3OH+H"	33.033486
"381291"	857.559358	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+K"	38.963158
"741193"	1266.857458	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+K"	38.963158
"1549807"	448.261258	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+K"	38.963158
"310263"	429.283317	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+H+K"	39.970434
"699405"	633.932367	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+H+K"	39.970434
"1455412"	224.634267	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H+K"	39.970434
"245109"	860.630026	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+ACN+H"	42.033826
"1220005"	451.331926	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+ACN+H"	42.033826
"1194654"	226.169601	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+ACN+2H"	43.041102
"190441"	863.56736	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+2Na-H"	44.97116
"629394"	1272.86546	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+2Na-H"	44.97116
"1132169"	454.26926	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2Na-H"	44.97116
"177648"	432.287318	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+2Na"	45.978436
"612850"	636.936368	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+2Na"	45.978436
"1118532"	227.638268	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2Na"	45.978436
"1405345"	152.094604	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H+2Na"	46.985712
"1434543"	456.310846	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H+HCOOH"	47.012746
"223871"	437.32034	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+3H2O+2H"	56.04448
"1514120"	470.36289	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+IsoProp+H"	61.06479
"413076"	440.274288	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+Na+K"	61.952376
"773713"	644.923338	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+Na+K"	61.952376
"1670042"	235.625238	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Na+K"	61.952376
"262758"	882.611968	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+ACN+Na"	64.015768
"1232550"	473.313868	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+ACN+Na"	64.015768
"1721437"	473.337393	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+NH4+HCOOH"	64.039293
"1187884"	159.421918	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+3Na"	68.967654
"1657778"	478.292788	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Na+HCOOH"	68.994688
"162453"	895.51524	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+2K-H"	76.91904
"605293"	1304.81334	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+2K-H"	76.91904
"1090908"	486.21714	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2K-H"	76.91904
"152099"	448.261258	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"2M+2K"	77.926316
"594214"	652.910308	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"3M+2K"	77.926316
"1076171"	243.612208	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2K"	77.926316
"1101480"	488.231692	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2K+H"	78.933592
"1337743"	488.319307	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+DMSO+H"	79.021207
"1006636"	492.358476	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2ACN+H"	83.060376
"1524393"	493.352108	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+IsoProp+Na+H"	84.054008
"993399"	246.682876	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+2ACN+2H"	84.067652
"1592277"	494.266728	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+K+HCOOH"	84.968628
"1415020"	524.298238	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+H+CF3COOH"	115.000138
"1151506"	267.196151	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+3ACN+2H"	125.094202
"1711273"	541.324785	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+NH4+CF3COOH"	132.026685
"1643278"	546.28018	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+Na+CF3COOH"	136.98208
"1574555"	562.25412	"C10829"	"Veratramine"	"C27H39NO2"	"409.2981"	"M+K+CF3COOH"	152.95602
"815856"	431.3399	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M"	0
"988295"	412.32151	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-H2O-H"	-19.01839
"77632"	286.552657333333	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M-3H"	-3.021828
"511728"	430.332624	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M-3H"	-3.021828
"893902"	142.772690666667	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-3H"	-3.021828
"15315"	430.332624	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M-2H"	-2.014552
"452039"	646.002574	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M-2H"	-2.014552
"828749"	214.662674	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-2H"	-2.014552
"89832"	861.672524	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M-H"	-1.007276
"528297"	1293.012424	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M-H"	-1.007276
"903914"	430.332624	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-H"	-1.007276
"53916"	878.699071	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M-2H+NH4"	16.019271
"498581"	1310.038971	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M-2H+NH4"	16.019271
"875289"	447.359171	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-2H+NH4"	16.019271
"42464"	883.654466	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M-2H+Na"	20.974666
"483117"	1314.994366	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M-2H+Na"	20.974666
"859825"	452.314566	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-2H+Na"	20.974666
"1626080"	452.314566	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Na-2H"	20.974666
"99327"	448.320963	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M-H+Cl"	33.962126
"543260"	663.990913	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M-H+Cl"	33.962126
"936410"	232.651013	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-H+Cl"	33.962126
"274238"	897.649202	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+Cl"	34.969402
"667754"	1328.989102	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+Cl"	34.969402
"1279062"	466.309302	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Cl"	34.969402
"20526"	899.628406	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M-2H+K"	36.948606
"468477"	1330.968306	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M-2H+K"	36.948606
"848107"	468.288506	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-2H+K"	36.948606
"1562479"	468.288506	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+K-2H"	36.948606
"950360"	476.338094	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-H+HCOOH"	44.998194
"370765"	907.678001	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+HCOOH-H"	44.998201
"357201"	921.693651	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+Hac-H"	59.013851
"1505670"	490.353751	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Hac-H"	59.013851
"968107"	498.320051	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-H+NaCOOH"	66.980151
"120295"	466.309302	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+2Cl"	69.938804
"560585"	681.979252	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+2Cl"	69.938804
"1026101"	250.639352	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2Cl"	69.938804
"1244587"	510.258785	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Br"	78.918885
"1305941"	512.314772	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Cl+HCOOH"	80.974872
"1323438"	534.296729	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Cl+NaCOOH"	102.956829
"917778"	544.325486	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M-H+CF3COOH"	112.985586
"1295578"	580.302164	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Cl+CF3COOH"	148.962264
"1370461"	396.327224	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H-2H2O"	-35.012676
"1392340"	414.3372	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H-H2O"	-17.0027
"286559"	863.687076	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+H"	1.007276
"677156"	1295.026976	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+H"	1.007276
"1355327"	432.347176	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H"	1.007276
"127486"	432.347176	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+2H"	2.014552
"566318"	648.017126	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+2H"	2.014552
"1038032"	216.677226	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2H"	2.014552
"204957"	288.567209333333	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+3H"	3.021828
"654981"	432.347176	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+3H"	3.021828
"1174201"	144.787242666667	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+3H"	3.021828
"435284"	880.713623	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+NH4"	18.033823
"796277"	1312.053523	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+NH4"	18.033823
"1687506"	449.373723	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+NH4"	18.033823
"335419"	440.8604495	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+H+NH4"	19.041099
"728933"	656.5303995	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+H+NH4"	19.041099
"1481294"	225.1904995	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H+NH4"	19.041099
"395964"	885.669018	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+Na"	22.989218
"761335"	1317.008918	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+Na"	22.989218
"1610526"	454.329118	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Na"	22.989218
"316918"	443.338147	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+H+Na"	23.996494
"717358"	659.008097	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+H+Na"	23.996494
"1466804"	227.668197	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H+Na"	23.996494
"1060050"	152.114556666667	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2H+Na"	25.00377
"1261729"	464.373386	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+CH3OH+H"	33.033486
"381401"	901.642958	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+K"	38.963158
"740938"	1332.982858	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+K"	38.963158
"1547730"	470.303058	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+K"	38.963158
"308917"	451.325117	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+H+K"	39.970434
"698421"	666.995067	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+H+K"	39.970434
"1452243"	235.655167	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H+K"	39.970434
"243033"	904.713626	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+ACN+H"	42.033826
"1219022"	473.373726	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+ACN+H"	42.033826
"1199625"	237.190501	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+ACN+2H"	43.041102
"191403"	907.65096	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+2Na-H"	44.97116
"630962"	1338.99086	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+2Na-H"	44.97116
"1131462"	476.31106	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2Na-H"	44.97116
"173213"	454.329118	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+2Na"	45.978436
"612832"	669.999068	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+2Na"	45.978436
"1118278"	238.659168	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2Na"	45.978436
"1413843"	159.441870666667	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H+2Na"	46.985712
"1439757"	478.352646	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H+HCOOH"	47.012746
"228358"	459.36214	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+3H2O+2H"	56.04448
"1516420"	492.40469	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+IsoProp+H"	61.06479
"415012"	462.316088	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+Na+K"	61.952376
"773824"	677.986038	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+Na+K"	61.952376
"1671248"	246.646138	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Na+K"	61.952376
"261046"	926.695568	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+ACN+Na"	64.015768
"1229383"	495.355668	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+ACN+Na"	64.015768
"1718269"	495.379193	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+NH4+HCOOH"	64.039293
"1185810"	166.769184666667	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+3Na"	68.967654
"1655703"	500.334588	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Na+HCOOH"	68.994688
"159282"	939.59884	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+2K-H"	76.91904
"598477"	1370.93874	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+2K-H"	76.91904
"1092111"	508.25894	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2K-H"	76.91904
"152209"	470.303058	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"2M+2K"	77.926316
"589584"	685.973008	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"3M+2K"	77.926316
"1074095"	254.633108	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2K"	77.926316
"1105116"	510.273492	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2K+H"	78.933592
"1336153"	510.361107	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+DMSO+H"	79.021207
"1007113"	514.400276	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2ACN+H"	83.060376
"1525967"	515.393908	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+IsoProp+Na+H"	84.054008
"992416"	257.703776	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+2ACN+2H"	84.067652
"1590200"	516.308528	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+K+HCOOH"	84.968628
"1418047"	546.340038	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+H+CF3COOH"	115.000138
"1150159"	278.217051	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+3ACN+2H"	125.094202
"1711747"	563.366585	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+NH4+CF3COOH"	132.026685
"1643388"	568.32198	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+Na+CF3COOH"	136.98208
"1581226"	584.29592	"C10830"	"Peimine;Verticine"	"C27H45NO3"	"431.3399"	"M+K+CF3COOH"	152.95602
"814873"	493.304	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M"	0
"986219"	474.28561	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-H2O-H"	-19.01839
"74462"	327.862057333333	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M-3H"	-3.021828
"511837"	492.296724	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M-3H"	-3.021828
"893285"	163.427390666667	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-3H"	-3.021828
"10400"	492.296724	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M-2H"	-2.014552
"451055"	738.948724	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M-2H"	-2.014552
"829951"	245.644724	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-2H"	-2.014552
"87754"	985.600724	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M-H"	-1.007276
"528407"	1478.904724	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M-H"	-1.007276
"901837"	492.296724	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-H"	-1.007276
"54026"	1002.627271	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M-2H+NH4"	16.019271
"499055"	1495.931271	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M-2H+NH4"	16.019271
"870295"	509.323271	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-2H+NH4"	16.019271
"42574"	1007.582666	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M-2H+Na"	20.974666
"482134"	1500.886666	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M-2H+Na"	20.974666
"859936"	514.278666	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-2H+Na"	20.974666
"1627281"	514.278666	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Na-2H"	20.974666
"100530"	510.285063	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M-H+Cl"	33.962126
"543369"	756.937063	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M-H+Cl"	33.962126
"933604"	263.633063	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-H+Cl"	33.962126
"275441"	1021.577402	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+Cl"	34.969402
"666770"	1514.881402	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+Cl"	34.969402
"1278078"	528.273402	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Cl"	34.969402
"20636"	1023.556606	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M-2H+K"	36.948606
"468950"	1516.860606	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M-2H+K"	36.948606
"843477"	530.252606	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-2H+K"	36.948606
"1562587"	530.252606	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+K-2H"	36.948606
"943909"	538.302194	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-H+HCOOH"	44.998194
"368688"	1031.606201	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+HCOOH-H"	44.998201
"353665"	1045.621851	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+Hac-H"	59.013851
"1506145"	552.317851	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Hac-H"	59.013851
"968944"	560.284151	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-H+NaCOOH"	66.980151
"120041"	528.273402	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+2Cl"	69.938804
"560695"	774.925402	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+2Cl"	69.938804
"1024388"	281.621402	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2Cl"	69.938804
"1243238"	572.222885	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Br"	78.918885
"1306050"	574.278872	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Cl+HCOOH"	80.974872
"1321725"	596.260829	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Cl+NaCOOH"	102.956829
"913515"	606.289586	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M-H+CF3COOH"	112.985586
"1294594"	642.266264	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Cl+CF3COOH"	148.962264
"1368746"	458.291324	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H-2H2O"	-35.012676
"1392450"	476.3013	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H-H2O"	-17.0027
"286669"	987.615276	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+H"	1.007276
"679088"	1480.919276	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+H"	1.007276
"1357623"	494.311276	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H"	1.007276
"129418"	494.311276	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+2H"	2.014552
"567278"	740.963276	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+2H"	2.014552
"1039963"	247.659276	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2H"	2.014552
"207862"	329.876609333333	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+3H"	3.021828
"656184"	494.311276	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+3H"	3.021828
"1174311"	165.441942666667	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+3H"	3.021828
"433209"	1004.641823	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+NH4"	18.033823
"796387"	1497.945823	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+NH4"	18.033823
"1689439"	511.337823	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+NH4"	18.033823
"335529"	502.8245495	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+H+NH4"	19.041099
"733416"	749.4765495	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+H+NH4"	19.041099
"1483227"	256.1725495	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H+NH4"	19.041099
"398261"	1009.597218	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+Na"	22.989218
"762538"	1502.901218	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+Na"	22.989218
"1611728"	516.293218	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Na"	22.989218
"316665"	505.302247	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+H+Na"	23.996494
"717468"	751.954247	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+H+Na"	23.996494
"1464726"	258.650247	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H+Na"	23.996494
"1057973"	172.769256666667	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2H+Na"	25.00377
"1264026"	526.337486	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+CH3OH+H"	33.033486
"381512"	1025.571158	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+K"	38.963158
"744695"	1518.875158	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+K"	38.963158
"1547842"	532.267158	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+K"	38.963158
"307204"	513.289217	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+H+K"	39.970434
"698533"	759.941217	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+H+K"	39.970434
"1451260"	266.637217	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H+K"	39.970434
"243143"	1028.641826	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+ACN+H"	42.033826
"1216945"	535.337826	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+ACN+H"	42.033826
"1199735"	268.172551	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+ACN+2H"	43.041102
"189568"	1031.57916	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+2Na-H"	44.97116
"629856"	1524.88316	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+2Na-H"	44.97116
"1131496"	538.27516	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2Na-H"	44.97116
"173370"	516.293218	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+2Na"	45.978436
"612937"	762.945218	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+2Na"	45.978436
"1119481"	269.641218	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2Na"	45.978436
"1412005"	180.096570666667	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H+2Na"	46.985712
"1439867"	540.316746	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H+HCOOH"	47.012746
"227375"	521.32624	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+3H2O+2H"	56.04448
"1514343"	554.36879	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+IsoProp+H"	61.06479
"416215"	524.280188	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+Na+K"	61.952376
"777213"	770.932188	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+Na+K"	61.952376
"1669169"	277.628188	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Na+K"	61.952376
"262249"	1050.623768	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+ACN+Na"	64.015768
"1232771"	557.319768	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+ACN+Na"	64.015768
"1719471"	557.343293	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+NH4+HCOOH"	64.039293
"1184827"	187.423884666667	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+3Na"	68.967654
"1655812"	562.298688	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Na+HCOOH"	68.994688
"159027"	1063.52704	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+2K-H"	76.91904
"599316"	1556.83104	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+2K-H"	76.91904
"1086380"	570.22304	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2K-H"	76.91904
"144652"	532.267158	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"2M+2K"	77.926316
"586414"	778.919158	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"3M+2K"	77.926316
"1074204"	285.615158	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2K"	77.926316
"1101945"	572.237592	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2K+H"	78.933592
"1335893"	572.325207	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+DMSO+H"	79.021207
"1005801"	576.364376	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2ACN+H"	83.060376
"1524369"	577.358008	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+IsoProp+Na+H"	84.054008
"990703"	288.685826	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+2ACN+2H"	84.067652
"1587272"	578.272628	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+K+HCOOH"	84.968628
"1416334"	608.304138	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+H+CF3COOH"	115.000138
"1148446"	309.199101	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+3ACN+2H"	125.094202
"1711493"	625.330685	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+NH4+CF3COOH"	132.026685
"1643498"	630.28608	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+Na+CF3COOH"	136.98208
"1581336"	646.26002	"C10831"	"Zygadenine"	"C27H43NO7"	"493.304"	"M+K+CF3COOH"	152.95602
"816970"	138.0317	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M"	0
"989840"	119.01331	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-H2O-H"	-19.01839
"77732"	91.0138573333333	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M-3H"	-3.021828
"518433"	137.024424	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M-3H"	-3.021828
"891935"	45.0032906666667	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-3H"	-3.021828
"10510"	137.024424	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M-2H"	-2.014552
"453354"	206.040274	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M-2H"	-2.014552
"831154"	68.008574	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-2H"	-2.014552
"84587"	275.056124	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M-H"	-1.007276
"527425"	413.087824	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M-H"	-1.007276
"904134"	137.024424	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-H"	-1.007276
"55230"	292.082671	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M-2H+NH4"	16.019271
"499531"	430.114371	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M-2H+NH4"	16.019271
"871499"	154.050971	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-2H+NH4"	16.019271
"41588"	297.038066	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M-2H+Na"	20.974666
"478964"	435.069766	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M-2H+Na"	20.974666
"861139"	159.006366	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-2H+Na"	20.974666
"1632860"	159.006366	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Na-2H"	20.974666
"103924"	155.012763	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M-H+Cl"	33.962126
"544574"	224.028613	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M-H+Cl"	33.962126
"932623"	85.996913	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-H+Cl"	33.962126
"273365"	311.032802	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+Cl"	34.969402
"665787"	449.064502	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+Cl"	34.969402
"1278189"	173.001102	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Cl"	34.969402
"19653"	313.012006	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M-2H+K"	36.948606
"466872"	451.043706	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M-2H+K"	36.948606
"846503"	174.980306	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-2H+K"	36.948606
"1561606"	174.980306	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+K-2H"	36.948606
"950583"	183.029894	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-H+HCOOH"	44.998194
"375725"	321.061601	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+HCOOH-H"	44.998201
"355962"	335.077251	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+Hac-H"	59.013851
"1504432"	197.045551	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Hac-H"	59.013851
"969054"	205.011851	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-H+NaCOOH"	66.980151
"120515"	173.001102	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+2Cl"	69.938804
"559710"	242.016952	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+2Cl"	69.938804
"1027414"	103.985252	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2Cl"	69.938804
"1249174"	216.950585	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Br"	78.918885
"1310167"	219.006572	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Cl+HCOOH"	80.974872
"1324385"	240.988529	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Cl+NaCOOH"	102.956829
"916904"	251.017286	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M-H+CF3COOH"	112.985586
"1294704"	286.993964	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Cl+CF3COOH"	148.962264
"1370678"	103.019024	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H-2H2O"	-35.012676
"1395840"	121.029	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H-H2O"	-17.0027
"285685"	277.070676	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+H"	1.007276
"680292"	415.102376	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+H"	1.007276
"1357733"	139.038976	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H"	1.007276
"129529"	139.038976	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+2H"	2.014552
"567267"	208.054826	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+2H"	2.014552
"1038979"	70.023126	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2H"	2.014552
"206879"	93.0284093333333	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+3H"	3.021828
"657387"	139.038976	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+3H"	3.021828
"1175513"	47.0178426666667	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+3H"	3.021828
"434409"	294.097223	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+NH4"	18.033823
"791393"	432.128923	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+NH4"	18.033823
"1693923"	156.065523	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+NH4"	18.033823
"336732"	147.5522495	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+H+NH4"	19.041099
"733526"	216.5680995	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+H+NH4"	19.041099
"1484066"	78.5363995	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H+NH4"	19.041099
"398371"	299.052618	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+Na"	22.989218
"760461"	437.084318	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+Na"	22.989218
"1609651"	161.020918	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Na"	22.989218
"320781"	150.029947	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+H+Na"	23.996494
"717578"	219.045797	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+H+Na"	23.996494
"1464837"	81.014097	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H+Na"	23.996494
"1056990"	54.3451566666667	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2H+Na"	25.00377
"1263046"	171.065186	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+CH3OH+H"	33.033486
"381620"	315.026558	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+K"	38.963158
"746991"	453.058258	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+K"	38.963158
"1549044"	176.994858	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+K"	38.963158
"310594"	158.016917	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+H+K"	39.970434
"699737"	227.032767	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+H+K"	39.970434
"1453555"	89.001067	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H+K"	39.970434
"245438"	318.097226	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+ACN+H"	42.033826
"1217054"	180.065526	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+ACN+H"	42.033826
"1199844"	90.536401	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+ACN+2H"	43.041102
"189312"	321.03456	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+2Na-H"	44.97116
"632277"	459.06626	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+2Na-H"	44.97116
"1131537"	183.00286	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2Na-H"	44.97116
"173032"	161.020918	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+2Na"	45.978436
"613647"	230.036768	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+2Na"	45.978436
"1121414"	92.005068	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2Na"	45.978436
"1412848"	61.6724706666667	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H+2Na"	46.985712
"1437791"	185.044446	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H+HCOOH"	47.012746
"229672"	166.05394	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+3H2O+2H"	56.04448
"1516639"	199.09649	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+IsoProp+H"	61.06479
"415232"	169.007888	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+Na+K"	61.952376
"777325"	238.023738	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+Na+K"	61.952376
"1673654"	99.992038	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Na+K"	61.952376
"262360"	340.079168	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+ACN+Na"	64.015768
"1232881"	202.047468	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+ACN+Na"	64.015768
"1720674"	202.070993	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+NH4+HCOOH"	64.039293
"1187123"	68.9997846666667	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+3Na"	68.967654
"1658109"	207.026388	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Na+HCOOH"	68.994688
"158409"	352.98244	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+2K-H"	76.91904
"597970"	491.01414	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+2K-H"	76.91904
"1085397"	214.95074	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2K-H"	76.91904
"143673"	176.994858	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"2M+2K"	77.926316
"587617"	246.010708	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"3M+2K"	77.926316
"1077596"	107.979008	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2K"	77.926316
"1101328"	216.965292	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2K+H"	78.933592
"1335720"	217.052907	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+DMSO+H"	79.021207
"1006115"	221.092076	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2ACN+H"	83.060376
"1524563"	222.085708	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+IsoProp+Na+H"	84.054008
"993731"	111.049676	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+2ACN+2H"	84.067652
"1588599"	223.000328	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+K+HCOOH"	84.968628
"1417175"	253.031838	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+H+CF3COOH"	115.000138
"1149651"	131.562951	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+3ACN+2H"	125.094202
"1710144"	270.058385	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+NH4+CF3COOH"	132.026685
"1641420"	275.01378	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+Na+CF3COOH"	136.98208
"1575978"	290.98772	"C10832"	"Sesamol"	"C7H6O3"	"138.0317"	"M+K+CF3COOH"	152.95602
"815093"	198.0528	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M"	0
"984252"	179.03441	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-H2O-H"	-19.01839
"75775"	131.027924	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M-3H"	-3.021828
"516066"	197.045524	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M-3H"	-3.021828
"889857"	65.010324	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-3H"	-3.021828
"6246"	197.045524	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M-2H"	-2.014552
"447994"	296.071924	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M-2H"	-2.014552
"829443"	98.019124	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-2H"	-2.014552
"82145"	395.098324	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M-H"	-1.007276
"527537"	593.151124	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M-H"	-1.007276
"907525"	197.045524	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-H"	-1.007276
"55340"	412.124871	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M-2H+NH4"	16.019271
"498913"	610.177671	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M-2H+NH4"	16.019271
"872702"	214.072071	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-2H+NH4"	16.019271
"43157"	417.080266	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M-2H+Na"	20.974666
"482355"	615.133066	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M-2H+Na"	20.974666
"861250"	219.027466	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-2H+Na"	20.974666
"1631877"	219.027466	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Na-2H"	20.974666
"102941"	215.033863	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M-H+Cl"	33.962126
"547967"	314.060263	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M-H+Cl"	33.962126
"936013"	116.007463	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-H+Cl"	33.962126
"277486"	431.075002	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+Cl"	34.969402
"668083"	629.127802	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+Cl"	34.969402
"1279393"	233.022202	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Cl"	34.969402
"20856"	433.054206	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M-2H+K"	36.948606
"465889"	631.107006	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M-2H+K"	36.948606
"846249"	235.001406	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-2H+K"	36.948606
"1556977"	235.001406	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+K-2H"	36.948606
"949599"	243.050994	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-H+HCOOH"	44.998194
"367815"	441.103801	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+HCOOH-H"	44.998201
"352792"	455.119451	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+Hac-H"	59.013851
"1500529"	257.066651	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Hac-H"	59.013851
"964789"	265.032951	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-H+NaCOOH"	66.980151
"116979"	233.022202	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+2Cl"	69.938804
"554352"	332.048602	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+2Cl"	69.938804
"1028614"	133.995802	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2Cl"	69.938804
"1248190"	276.971685	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Br"	78.918885
"1312828"	279.027672	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Cl+HCOOH"	80.974872
"1328136"	301.009629	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Cl+NaCOOH"	102.956829
"915553"	311.038386	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M-H+CF3COOH"	112.985586
"1296268"	347.015064	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Cl+CF3COOH"	148.962264
"1369330"	163.040124	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H-2H2O"	-35.012676
"1392670"	181.0501	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H-H2O"	-17.0027
"284701"	397.112876	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+H"	1.007276
"679309"	595.165676	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+H"	1.007276
"1356750"	199.060076	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H"	1.007276
"128546"	199.060076	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+2H"	2.014552
"567741"	298.086476	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+2H"	2.014552
"1037630"	100.033676	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2H"	2.014552
"205897"	133.042476	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+3H"	3.021828
"658956"	199.060076	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+3H"	3.021828
"1175623"	67.024876	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+3H"	3.021828
"436706"	414.139423	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+NH4"	18.033823
"792232"	612.192223	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+NH4"	18.033823
"1692940"	216.086623	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+NH4"	18.033823
"339028"	207.5733495	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+H+NH4"	19.041099
"733636"	306.5997495	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+H+NH4"	19.041099
"1484176"	108.5469495	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H+NH4"	19.041099
"398481"	419.094818	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+Na"	22.989218
"760571"	617.147618	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+Na"	22.989218
"1611948"	221.042018	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Na"	22.989218
"320892"	210.051047	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+H+Na"	23.996494
"714408"	309.077447	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+H+Na"	23.996494
"1469322"	111.024647	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H+Na"	23.996494
"1060381"	74.35219	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2H+Na"	25.00377
"1262063"	231.086286	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+CH3OH+H"	33.033486
"380637"	435.068758	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+K"	38.963158
"747099"	633.121558	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+K"	38.963158
"1546967"	237.015958	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+K"	38.963158
"311797"	218.038017	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+H+K"	39.970434
"702031"	317.064417	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+H+K"	39.970434
"1455852"	119.011617	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H+K"	39.970434
"246641"	438.139426	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+ACN+H"	42.033826
"1212791"	240.086626	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+ACN+H"	42.033826
"1197767"	120.546951	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+ACN+2H"	43.041102
"189784"	441.07676	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+2Na-H"	44.97116
"629956"	639.12956	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+2Na-H"	44.97116
"1131999"	243.02396	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2Na-H"	44.97116
"173710"	221.042018	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+2Na"	45.978436
"614365"	320.068418	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+2Na"	45.978436
"1121888"	122.015618	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2Na"	45.978436
"1405780"	81.679504	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H+2Na"	46.985712
"1437901"	245.065546	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H+HCOOH"	47.012746
"230511"	226.07504	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+3H2O+2H"	56.04448
"1516749"	259.11759	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+IsoProp+H"	61.06479
"418622"	229.028988	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+Na+K"	61.952376
"778529"	328.055388	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+Na+K"	61.952376
"1672671"	130.002588	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Na+K"	61.952376
"262105"	460.121368	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+ACN+Na"	64.015768
"1236272"	262.068568	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+ACN+Na"	64.015768
"1720784"	262.092093	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+NH4+HCOOH"	64.039293
"1189420"	89.006818	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+3Na"	68.967654
"1660406"	267.047488	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Na+HCOOH"	68.994688
"160707"	473.02464	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+2K-H"	76.91904
"600267"	671.07744	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+2K-H"	76.91904
"1086962"	274.97184	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2K-H"	76.91904
"144872"	237.015958	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"2M+2K"	77.926316
"592467"	336.042358	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"3M+2K"	77.926316
"1077706"	137.989558	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2K"	77.926316
"1100709"	276.986392	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2K+H"	78.933592
"1337458"	277.074007	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+DMSO+H"	79.021207
"1007080"	281.113176	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2ACN+H"	83.060376
"1526300"	282.106808	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+IsoProp+Na+H"	84.054008
"997122"	141.060226	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+2ACN+2H"	84.067652
"1591625"	283.021428	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+K+HCOOH"	84.968628
"1419472"	313.052938	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+H+CF3COOH"	115.000138
"1149761"	161.573501	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+3ACN+2H"	125.094202
"1711716"	330.079485	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+NH4+CF3COOH"	132.026685
"1644811"	335.03488	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+Na+CF3COOH"	136.98208
"1577181"	351.00882	"C10833"	"Syringic acid;Syringate;4-Hydroxy-35-dimethoxybenzoate;Gallic acid 35-dimethyl ether"	"C9H10O5"	"198.0528"	"M+K+CF3COOH"	152.95602
"814110"	344.0743	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M"	0
"986549"	325.05591	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-H2O-H"	-19.01839
"75885"	228.375590666667	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M-3H"	-3.021828
"516906"	343.067024	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M-3H"	-3.021828
"892155"	113.684157333333	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-3H"	-3.021828
"9635"	343.067024	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M-2H"	-2.014552
"450291"	515.104174	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M-2H"	-2.014552
"828093"	171.029874	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-2H"	-2.014552
"86993"	687.141324	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M-H"	-1.007276
"527647"	1031.215624	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M-H"	-1.007276
"908366"	343.067024	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-H"	-1.007276
"59462"	704.167871	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M-2H+NH4"	16.019271
"502473"	1048.242171	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M-2H+NH4"	16.019271
"877188"	360.093571	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-2H+NH4"	16.019271
"45456"	709.123266	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M-2H+Na"	20.974666
"485748"	1053.197566	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M-2H+Na"	20.974666
"863182"	365.048966	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-2H+Na"	20.974666
"1632717"	365.048966	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Na-2H"	20.974666
"107060"	361.055363	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M-H+Cl"	33.962126
"548686"	533.092513	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M-H+Cl"	33.962126
"931752"	189.018213	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-H+Cl"	33.962126
"273588"	723.118002	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+Cl"	34.969402
"668196"	1067.192302	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+Cl"	34.969402
"1281691"	379.043702	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Cl"	34.969402
"22060"	725.097206	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M-2H+K"	36.948606
"465999"	1069.171506	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M-2H+K"	36.948606
"847087"	381.022906	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-2H+K"	36.948606
"1558546"	381.022906	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+K-2H"	36.948606
"951896"	389.072494	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-H+HCOOH"	44.998194
"370112"	733.146801	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+HCOOH-H"	44.998201
"355089"	747.162451	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+Hac-H"	59.013851
"1500639"	403.088151	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Hac-H"	59.013851
"968181"	411.054451	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-H+NaCOOH"	66.980151
"119279"	379.043702	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+2Cl"	69.938804
"557743"	551.080852	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+2Cl"	69.938804
"1023381"	207.006552	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2Cl"	69.938804
"1246118"	422.993185	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Br"	78.918885
"1309659"	425.049172	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Cl+HCOOH"	80.974872
"1332987"	447.031129	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Cl+NaCOOH"	102.956829
"916029"	457.059886	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M-H+CF3COOH"	112.985586
"1293100"	493.036564	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Cl+CF3COOH"	148.962264
"1369076"	309.061624	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H-2H2O"	-35.012676
"1389500"	327.0716	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H-H2O"	-17.0027
"286998"	689.155876	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+H"	1.007276
"676379"	1033.230176	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+H"	1.007276
"1355767"	345.081576	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H"	1.007276
"130843"	345.081576	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+2H"	2.014552
"567852"	517.118726	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+2H"	2.014552
"1038591"	173.044426	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2H"	2.014552
"205519"	230.390142666667	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+3H"	3.021828
"656514"	345.081576	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+3H"	3.021828
"1176463"	115.698709333333	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+3H"	3.021828
"436817"	706.182423	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+NH4"	18.033823
"793435"	1050.256723	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+NH4"	18.033823
"1693050"	362.108123	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+NH4"	18.033823
"339139"	353.5948495	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+H+NH4"	19.041099
"735933"	525.6319995	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+H+NH4"	19.041099
"1486473"	181.5576995	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H+NH4"	19.041099
"398591"	711.137818	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+Na"	22.989218
"762868"	1055.212118	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+Na"	22.989218
"1615339"	367.063518	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Na"	22.989218
"322097"	356.072547	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+H+Na"	23.996494
"721079"	528.109697	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+H+Na"	23.996494
"1475994"	184.035397	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H+Na"	23.996494
"1060491"	123.026023333333	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2H+Na"	25.00377
"1264359"	377.107786	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+CH3OH+H"	33.033486
"382933"	727.111758	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+K"	38.963158
"748303"	1071.186058	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+K"	38.963158
"1549264"	383.037458	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+K"	38.963158
"309720"	364.059517	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+H+K"	39.970434
"697768"	536.096667	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+H+K"	39.970434
"1449401"	192.022367	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H+K"	39.970434
"239097"	730.182426	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+ACN+H"	42.033826
"1211442"	386.108126	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+ACN+H"	42.033826
"1195203"	193.557701	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+ACN+2H"	43.041102
"188957"	733.11976	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+2Na-H"	44.97116
"629943"	1077.19406	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+2Na-H"	44.97116
"1131339"	389.04546	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2Na-H"	44.97116
"172918"	367.063518	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+2Na"	45.978436
"612883"	539.100668	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+2Na"	45.978436
"1121270"	195.026368	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2Na"	45.978436
"1402974"	130.353337333333	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H+2Na"	46.985712
"1443478"	391.087046	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H+HCOOH"	47.012746
"230621"	372.09654	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+3H2O+2H"	56.04448
"1520505"	405.13909	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+IsoProp+H"	61.06479
"418732"	375.050488	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+Na+K"	61.952376
"777546"	547.087638	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+Na+K"	61.952376
"1673874"	203.013338	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Na+K"	61.952376
"266597"	752.164368	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+ACN+Na"	64.015768
"1240392"	408.090068	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+ACN+Na"	64.015768
"1726362"	408.113593	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+NH4+HCOOH"	64.039293
"1191716"	137.680651333333	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+3Na"	68.967654
"1660516"	413.068988	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Na+HCOOH"	68.994688
"159725"	765.06764	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+2K-H"	76.91904
"601471"	1109.14194	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+2K-H"	76.91904
"1087075"	420.99334	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2K-H"	76.91904
"143895"	383.037458	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"2M+2K"	77.926316
"582723"	555.074608	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"3M+2K"	77.926316
"1077816"	211.000308	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2K"	77.926316
"1101426"	423.007892	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2K+H"	78.933592
"1337689"	423.095507	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+DMSO+H"	79.021207
"1008283"	427.134676	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2ACN+H"	83.060376
"1526410"	428.128308	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+IsoProp+Na+H"	84.054008
"999419"	214.070976	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+2ACN+2H"	84.067652
"1589547"	429.042928	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+K+HCOOH"	84.968628
"1419583"	459.074438	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+H+CF3COOH"	115.000138
"1149872"	234.584251	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+3ACN+2H"	125.094202
"1710365"	476.100985	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+NH4+CF3COOH"	132.026685
"1644921"	481.05638	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+Na+CF3COOH"	136.98208
"1576198"	497.03032	"C10834"	"Theogallin"	"C14H16O10"	"344.0743"	"M+K+CF3COOH"	152.95602
"815313"	406.1264	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M"	0
"986659"	387.10801	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-H2O-H"	-19.01839
"77941"	269.743657333333	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M-3H"	-3.021828
"515193"	405.119124	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M-3H"	-3.021828
"894088"	134.368190666667	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-3H"	-3.021828
"9745"	405.119124	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M-2H"	-2.014552
"450037"	608.182324	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M-2H"	-2.014552
"830755"	202.055924	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-2H"	-2.014552
"88196"	811.245524	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M-H"	-1.007276
"529581"	1217.371924	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M-H"	-1.007276
"908842"	405.119124	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-H"	-1.007276
"61154"	828.272071	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M-2H+NH4"	16.019271
"502053"	1234.398471	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M-2H+NH4"	16.019271
"877662"	422.145671	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-2H+NH4"	16.019271
"45930"	833.227466	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M-2H+Na"	20.974666
"485858"	1239.353866	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M-2H+Na"	20.974666
"863780"	427.101066	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-2H+Na"	20.974666
"1632827"	427.101066	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Na-2H"	20.974666
"108264"	423.107463	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M-H+Cl"	33.962126
"548796"	626.170663	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M-H+Cl"	33.962126
"936236"	220.044263	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-H+Cl"	33.962126
"278072"	847.222202	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+Cl"	34.969402
"667213"	1253.348602	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+Cl"	34.969402
"1282896"	441.095802	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Cl"	34.969402
"21077"	849.201406	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M-2H+K"	36.948606
"462829"	1255.327806	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M-2H+K"	36.948606
"846104"	443.075006	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-2H+K"	36.948606
"1559749"	443.075006	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+K-2H"	36.948606
"952005"	451.124594	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-H+HCOOH"	44.998194
"368035"	857.251001	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+HCOOH-H"	44.998201
"354106"	871.266651	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+Hac-H"	59.013851
"1499656"	465.140251	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Hac-H"	59.013851
"963917"	473.106551	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-H+NaCOOH"	66.980151
"119388"	441.095802	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+2Cl"	69.938804
"557853"	644.159002	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+2Cl"	69.938804
"1023368"	238.032602	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2Cl"	69.938804
"1244040"	485.045285	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Br"	78.918885
"1308677"	487.101272	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Cl+HCOOH"	80.974872
"1331638"	509.083229	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Cl+NaCOOH"	102.956829
"920511"	519.111986	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M-H+CF3COOH"	112.985586
"1293938"	555.088664	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Cl+CF3COOH"	148.962264
"1368821"	371.113724	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H-2H2O"	-35.012676
"1389610"	389.1237	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H-H2O"	-17.0027
"289295"	813.260076	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+H"	1.007276
"678434"	1219.386476	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+H"	1.007276
"1355877"	407.133676	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H"	1.007276
"132046"	407.133676	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+2H"	2.014552
"569054"	610.196876	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+2H"	2.014552
"1037972"	204.070476	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2H"	2.014552
"205023"	271.758209333333	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+3H"	3.021828
"657717"	407.133676	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+3H"	3.021828
"1175841"	136.382742666667	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+3H"	3.021828
"436926"	830.286623	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+NH4"	18.033823
"793545"	1236.413023	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+NH4"	18.033823
"1694253"	424.160223	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+NH4"	18.033823
"339249"	415.6469495	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+H+NH4"	19.041099
"734950"	618.7101495	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+H+NH4"	19.041099
"1488770"	212.5837495	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H+NH4"	19.041099
"398701"	835.242018	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+Na"	22.989218
"760791"	1241.368418	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+Na"	22.989218
"1612170"	429.115618	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Na"	22.989218
"321113"	418.124647	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+H+Na"	23.996494
"715723"	621.187847	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+H+Na"	23.996494
"1475377"	215.061447	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H+Na"	23.996494
"1060601"	143.710056666667	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2H+Na"	25.00377
"1265563"	439.159886	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+CH3OH+H"	33.033486
"383045"	851.215958	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+K"	38.963158
"749508"	1257.342358	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+K"	38.963158
"1549374"	445.089558	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+K"	38.963158
"307646"	426.111617	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+H+K"	39.970434
"697878"	629.174817	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+H+K"	39.970434
"1449511"	223.048417	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H+K"	39.970434
"239571"	854.286626	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+ACN+H"	42.033826
"1212644"	448.160226	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+ACN+H"	42.033826
"1196527"	224.583751	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+ACN+2H"	43.041102
"188680"	857.22396	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+2Na-H"	44.97116
"628585"	1263.35036	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+2Na-H"	44.97116
"1134652"	451.09756	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2Na-H"	44.97116
"173026"	429.115618	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+2Na"	45.978436
"614588"	632.178818	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+2Na"	45.978436
"1121380"	226.052418	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2Na"	45.978436
"1404907"	151.037370666667	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H+2Na"	46.985712
"1441401"	453.139146	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H+HCOOH"	47.012746
"229637"	434.14864	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+3H2O+2H"	56.04448
"1518063"	467.19119	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+IsoProp+H"	61.06479
"418479"	437.102588	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+Na+K"	61.952376
"780936"	640.165788	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+Na+K"	61.952376
"1676171"	234.039388	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Na+K"	61.952376
"266706"	876.268568	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+ACN+Na"	64.015768
"1240827"	470.142168	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+ACN+Na"	64.015768
"1726472"	470.165693	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+NH4+HCOOH"	64.039293
"1191826"	158.364684666667	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+3Na"	68.967654
"1661720"	475.121088	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Na+HCOOH"	68.994688
"162021"	889.17184	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+2K-H"	76.91904
"605955"	1295.29824	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+2K-H"	76.91904
"1087913"	483.04544	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2K-H"	76.91904
"145823"	445.089558	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"2M+2K"	77.926316
"583927"	648.152758	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"3M+2K"	77.926316
"1077926"	242.026358	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2K"	77.926316
"1101415"	485.059992	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2K+H"	78.933592
"1338771"	485.147607	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+DMSO+H"	79.021207
"1008393"	489.186776	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2ACN+H"	83.060376
"1528706"	490.180408	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+IsoProp+Na+H"	84.054008
"997342"	245.097026	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+2ACN+2H"	84.067652
"1595125"	491.095028	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+K+HCOOH"	84.968628
"1419693"	521.126538	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+H+CF3COOH"	115.000138
"1148888"	265.610301	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+3ACN+2H"	125.094202
"1708288"	538.153085	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+NH4+CF3COOH"	132.026685
"1645031"	543.10848	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+Na+CF3COOH"	136.98208
"1576308"	559.08242	"C10835"	"Trichocarpin"	"C20H22O9"	"406.1264"	"M+K+CF3COOH"	152.95602
"814330"	344.0532	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M"	0
"987863"	325.03481	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-H2O-H"	-19.01839
"73918"	228.361524	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M-3H"	-3.021828
"517127"	343.045924	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M-3H"	-3.021828
"893105"	113.677124	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-3H"	-3.021828
"9855"	343.045924	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M-2H"	-2.014552
"450147"	515.072524	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M-2H"	-2.014552
"830868"	171.019324	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-2H"	-2.014552
"88306"	687.099124	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M-H"	-1.007276
"530420"	1031.152324	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M-H"	-1.007276
"909318"	343.045924	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-H"	-1.007276
"61508"	704.125671	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M-2H+NH4"	16.019271
"501677"	1048.178871	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M-2H+NH4"	16.019271
"878508"	360.072471	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-2H+NH4"	16.019271
"44216"	709.081066	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M-2H+Na"	20.974666
"486330"	1053.134266	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M-2H+Na"	20.974666
"861216"	365.027866	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-2H+Na"	20.974666
"1631841"	365.027866	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Na-2H"	20.974666
"107642"	361.034263	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M-H+Cl"	33.962126
"548298"	533.060863	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M-H+Cl"	33.962126
"938531"	189.007663	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-H+Cl"	33.962126
"279277"	723.075802	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+Cl"	34.969402
"666229"	1067.129002	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+Cl"	34.969402
"1277539"	379.022602	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Cl"	34.969402
"20456"	725.055006	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M-2H+K"	36.948606
"460752"	1069.108206	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M-2H+K"	36.948606
"845850"	381.001806	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-2H+K"	36.948606
"1560952"	381.001806	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+K-2H"	36.948606
"951022"	389.051394	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-H+HCOOH"	44.998194
"369238"	733.104601	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+HCOOH-H"	44.998201
"355309"	747.120251	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+Hac-H"	59.013851
"1501952"	403.067051	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Hac-H"	59.013851
"965120"	411.033351	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-H+NaCOOH"	66.980151
"120226"	379.022602	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+2Cl"	69.938804
"557965"	551.049202	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+2Cl"	69.938804
"1023481"	206.996002	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2Cl"	69.938804
"1245972"	422.972085	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Br"	78.918885
"1310974"	425.028072	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Cl+HCOOH"	80.974872
"1330655"	447.010029	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Cl+NaCOOH"	102.956829
"919529"	457.038786	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M-H+CF3COOH"	112.985586
"1292957"	493.015464	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Cl+CF3COOH"	148.962264
"1372212"	309.040524	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H-2H2O"	-35.012676
"1389720"	327.0505	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H-H2O"	-17.0027
"289405"	689.113676	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+H"	1.007276
"677451"	1033.166876	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+H"	1.007276
"1353801"	345.060476	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H"	1.007276
"129969"	345.060476	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+2H"	2.014552
"565731"	517.087076	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+2H"	2.014552
"1037229"	173.033876	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2H"	2.014552
"205132"	230.376076	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+3H"	3.021828
"653452"	345.060476	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+3H"	3.021828
"1170483"	115.691676	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+3H"	3.021828
"438129"	706.140223	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+NH4"	18.033823
"792562"	1050.193423	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+NH4"	18.033823
"1695456"	362.087023	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+NH4"	18.033823
"339359"	353.5737495	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+H+NH4"	19.041099
"733966"	525.6003495	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+H+NH4"	19.041099
"1482320"	181.5471495	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H+NH4"	19.041099
"403186"	711.095618	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+Na"	22.989218
"761994"	1055.148818	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+Na"	22.989218
"1611188"	367.042418	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Na"	22.989218
"324505"	356.051447	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+H+Na"	23.996494
"719844"	528.078047	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+H+Na"	23.996494
"1473300"	184.024847	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H+Na"	23.996494
"1060711"	123.01899	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2H+Na"	25.00377
"1268591"	377.086686	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+CH3OH+H"	33.033486
"384248"	727.069558	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+K"	38.963158
"749984"	1071.122758	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+K"	38.963158
"1548392"	383.016358	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+K"	38.963158
"308848"	364.038417	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+H+K"	39.970434
"699083"	536.065017	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+H+K"	39.970434
"1452902"	192.011817	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H+K"	39.970434
"239318"	730.140226	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+ACN+H"	42.033826
"1212147"	386.087026	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+ACN+H"	42.033826
"1196273"	193.547151	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+ACN+2H"	43.041102
"188646"	733.07756	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+2Na-H"	44.97116
"628737"	1077.13076	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+2Na-H"	44.97116
"1131846"	389.02436	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2Na-H"	44.97116
"173140"	367.042418	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+2Na"	45.978436
"613072"	539.069018	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+2Na"	45.978436
"1118938"	195.015818	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2Na"	45.978436
"1411214"	130.346304	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H+2Na"	46.985712
"1438231"	391.065946	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H+HCOOH"	47.012746
"229748"	372.07544	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+3H2O+2H"	56.04448
"1517080"	405.11799	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+IsoProp+H"	61.06479
"421141"	375.029388	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+Na+K"	61.952376
"775577"	547.055988	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+Na+K"	61.952376
"1674093"	203.002788	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Na+K"	61.952376
"266448"	752.122168	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+ACN+Na"	64.015768
"1237696"	408.068968	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+ACN+Na"	64.015768
"1725488"	408.092493	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+NH4+HCOOH"	64.039293
"1190843"	137.673618	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+3Na"	68.967654
"1661829"	413.047888	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Na+HCOOH"	68.994688
"160671"	765.02544	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+2K-H"	76.91904
"600597"	1109.07864	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+2K-H"	76.91904
"1086930"	420.97224	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2K-H"	76.91904
"144839"	383.016358	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"2M+2K"	77.926316
"582213"	555.042958	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"3M+2K"	77.926316
"1077672"	210.989758	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2K"	77.926316
"1106872"	422.986792	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2K+H"	78.933592
"1339976"	423.074407	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+DMSO+H"	79.021207
"1008505"	427.113576	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2ACN+H"	83.060376
"1528816"	428.107208	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+IsoProp+Na+H"	84.054008
"1000369"	214.060426	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+2ACN+2H"	84.067652
"1595236"	429.021828	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+K+HCOOH"	84.968628
"1420896"	459.053338	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+H+CF3COOH"	115.000138
"1152279"	234.573701	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+3ACN+2H"	125.094202
"1708398"	476.079885	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+NH4+CF3COOH"	132.026685
"1645141"	481.03528	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+Na+CF3COOH"	136.98208
"1576418"	497.00922	"C10836"	"343-Tri-O-methylellagic acid"	"C17H12O8"	"344.0532"	"M+K+CF3COOH"	152.95602
"815533"	411.0233	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M"	0
"989561"	392.00491	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-H2O-H"	-19.01839
"78122"	273.008257333333	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M-3H"	-3.021828
"517239"	410.016024	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M-3H"	-3.021828
"894553"	136.000490666667	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-3H"	-3.021828
"11058"	410.016024	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M-2H"	-2.014552
"452810"	615.527674	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M-2H"	-2.014552
"832279"	204.504374	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-2H"	-2.014552
"93895"	821.039324	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M-H"	-1.007276
"533942"	1232.062624	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M-H"	-1.007276
"910855"	410.016024	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-H"	-1.007276
"62357"	838.065871	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M-2H+NH4"	16.019271
"502748"	1249.089171	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M-2H+NH4"	16.019271
"879471"	427.042571	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-2H+NH4"	16.019271
"46642"	843.021266	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M-2H+Na"	20.974666
"485231"	1254.044566	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M-2H+Na"	20.974666
"863155"	431.997966	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-2H+Na"	20.974666
"1633419"	431.997966	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Na-2H"	20.974666
"109583"	428.004363	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M-H+Cl"	33.962126
"549145"	633.516013	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M-H+Cl"	33.962126
"941808"	222.492713	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-H+Cl"	33.962126
"282063"	857.016002	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+Cl"	34.969402
"669620"	1268.039302	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+Cl"	34.969402
"1279837"	445.992702	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Cl"	34.969402
"26031"	858.995206	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M-2H+K"	36.948606
"463049"	1270.018506	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M-2H+K"	36.948606
"844136"	447.971906	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-2H+K"	36.948606
"1567623"	447.971906	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+K-2H"	36.948606
"956599"	456.021494	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-H+HCOOH"	44.998194
"368257"	867.044801	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+HCOOH-H"	44.998201
"353235"	881.060451	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+Hac-H"	59.013851
"1503889"	470.037151	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Hac-H"	59.013851
"968513"	478.003451	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-H+NaCOOH"	66.980151
"121796"	445.992702	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+2Cl"	69.938804
"561354"	651.504352	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+2Cl"	69.938804
"1026872"	240.481052	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2Cl"	69.938804
"1247544"	489.942185	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Br"	78.918885
"1307806"	491.998172	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Cl+HCOOH"	80.974872
"1327487"	513.980129	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Cl+NaCOOH"	102.956829
"919640"	524.008886	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M-H+CF3COOH"	112.985586
"1298534"	559.985564	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Cl+CF3COOH"	148.962264
"1371228"	376.010624	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H-2H2O"	-35.012676
"1395297"	394.0206	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H-H2O"	-17.0027
"290608"	823.053876	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+H"	1.007276
"680843"	1234.077176	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+H"	1.007276
"1357192"	412.030576	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H"	1.007276
"131172"	412.030576	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+2H"	2.014552
"567815"	617.542226	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+2H"	2.014552
"1042810"	206.518926	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2H"	2.014552
"205971"	275.022809333333	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+3H"	3.021828
"652469"	412.030576	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+3H"	3.021828
"1172780"	138.015042666667	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+3H"	3.021828
"437146"	840.080423	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+NH4"	18.033823
"798140"	1251.103723	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+NH4"	18.033823
"1692286"	429.057123	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+NH4"	18.033823
"344210"	420.5438495	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+H+NH4"	19.041099
"736264"	626.0554995	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+H+NH4"	19.041099
"1490085"	215.0321995	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H+NH4"	19.041099
"407429"	845.035818	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+Na"	22.989218
"767572"	1256.059118	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+Na"	22.989218
"1614579"	434.012518	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Na"	22.989218
"328264"	423.021547	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+H+Na"	23.996494
"721172"	628.533197	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+H+Na"	23.996494
"1473045"	217.509897	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H+Na"	23.996494
"1063007"	145.342356666667	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2H+Na"	25.00377
"1271982"	444.056786	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+CH3OH+H"	33.033486
"388369"	861.009758	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+K"	38.963158
"750093"	1272.033058	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+K"	38.963158
"1551781"	449.986458	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+K"	38.963158
"311146"	431.008517	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+H+K"	39.970434
"701378"	636.520167	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+H+K"	39.970434
"1458116"	225.496867	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H+K"	39.970434
"247083"	864.080426	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+ACN+H"	42.033826
"1216514"	453.057126	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+ACN+H"	42.033826
"1204769"	227.032201	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+ACN+2H"	43.041102
"194359"	867.01776	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+2Na-H"	44.97116
"634283"	1278.04106	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+2Na-H"	44.97116
"1137060"	455.99446	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2Na-H"	44.97116
"178162"	434.012518	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+2Na"	45.978436
"615535"	639.524168	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+2Na"	45.978436
"1121601"	228.500868	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2Na"	45.978436
"1408408"	152.669670666667	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H+2Na"	46.985712
"1441622"	458.036046	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H+HCOOH"	47.012746
"231316"	439.04554	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+3H2O+2H"	56.04448
"1522659"	472.08809	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+IsoProp+H"	61.06479
"422346"	441.999488	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+Na+K"	61.952376
"778966"	647.511138	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+Na+K"	61.952376
"1676029"	236.487838	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Na+K"	61.952376
"264373"	886.062368	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+ACN+Na"	64.015768
"1238903"	475.039068	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+ACN+Na"	64.015768
"1725600"	475.062593	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+NH4+HCOOH"	64.039293
"1191686"	159.996984666667	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+3Na"	68.967654
"1661944"	480.017988	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Na+HCOOH"	68.994688
"161147"	898.96564	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+2K-H"	76.91904
"599247"	1309.98894	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+2K-H"	76.91904
"1087772"	487.94234	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2K-H"	76.91904
"144950"	449.986458	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"2M+2K"	77.926316
"583418"	655.498108	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"3M+2K"	77.926316
"1071585"	244.474808	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2K"	77.926316
"1103701"	489.956892	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2K+H"	78.933592
"1337896"	490.044507	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+DMSO+H"	79.021207
"1009707"	494.083676	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2ACN+H"	83.060376
"1528927"	495.077308	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+IsoProp+Na+H"	84.054008
"997563"	247.545476	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+2ACN+2H"	84.067652
"1596441"	495.991928	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+K+HCOOH"	84.968628
"1425381"	526.023438	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+H+CF3COOH"	115.000138
"1152390"	268.058751	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+3ACN+2H"	125.094202
"1710696"	543.049985	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+NH4+CF3COOH"	132.026685
"1639784"	548.00538	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+Na+CF3COOH"	136.98208
"1581996"	563.97932	"C10837"	"Turgorin"	"C13H15O13S"	"411.0233"	"M+K+CF3COOH"	152.95602
"816379"	330.2195	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M"	0
"989587"	311.20111	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"77419"	219.139057333333	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"518161"	329.212224	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"894908"	109.065890666667	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"11168"	329.212224	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"452918"	494.321974	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"829626"	164.102474	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"93036"	659.431724	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"532596"	989.651224	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"910643"	329.212224	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"62102"	676.458271	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"502433"	1006.677771	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"878371"	346.238771	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"46027"	681.413666	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"486196"	1011.633166	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"863595"	351.194166	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1633530"	351.194166	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"108599"	347.200563	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"548039"	512.310313	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"940823"	182.090813	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"281084"	695.408402	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"674474"	1025.627902	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1283227"	365.188902	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"23592"	697.387606	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"462066"	1027.607106	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"845705"	367.168106	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1569556"	367.168106	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"954523"	375.217694	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"370554"	705.437201	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"354439"	719.452851	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1503999"	389.233351	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"967534"	397.199651	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"120812"	365.188902	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"562559"	530.298652	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1033179"	200.079152	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1247655"	409.138385	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1307917"	411.194372	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1327599"	433.176329	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"918657"	443.205086	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1303019"	479.181764	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1372433"	295.206824	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1396500"	313.2168	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"293998"	661.446276	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"684233"	991.665776	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1357302"	331.226776	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"130189"	331.226776	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"570111"	496.336526	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1041826"	166.117026	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"209727"	221.153609333333	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"651486"	331.226776	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1170703"	111.080442666667	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"435070"	678.472823	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"794970"	1008.692323	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1691303"	348.253323	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"341767"	339.7400495	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"735281"	504.8497995	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1490195"	174.6302995	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"405599"	683.428218	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"767683"	1013.647718	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1613596"	353.208718	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"326915"	342.217747	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"720430"	507.327497	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1473156"	177.107997	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1063120"	118.407756666667	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1266989"	363.252986	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"385564"	699.402158	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"748745"	1029.621658	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1549704"	369.182658	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"309069"	350.204717	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"701489"	515.314467	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1456403"	185.094967	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"246100"	702.472826	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1214438"	372.253326	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1202693"	186.630301	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"194833"	705.41016	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"635121"	1035.62966	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1137534"	375.19066	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"177542"	353.208718	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"620747"	518.318468	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1121711"	188.098968	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1413827"	125.735070666667	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1441732"	377.232246	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"233978"	358.24174	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1521314"	391.28429	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"422823"	361.195688	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"781264"	526.305438	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1677232"	196.085938	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"265821"	724.454768	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1239378"	394.235268	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1725346"	394.258793	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1191796"	133.062384666667	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1663147"	399.214188	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"166724"	737.35804	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"601546"	1067.57754	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1089339"	407.13854	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"145425"	369.182658	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"583528"	534.292408	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1071695"	204.072908	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1101746"	409.153092	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1339101"	409.240707	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1009819"	413.279876	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1534872"	414.273508	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"1000225"	207.143576	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1598739"	415.188128	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1425491"	445.219638	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1155781"	227.656851	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1709711"	462.246185	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1645361"	467.20158	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1582106"	483.17552	"C10838"	"Turricolol E"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"815754"	316.2402	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M"	0
"989880"	297.22181	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"69875"	209.819524	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"512716"	315.232924	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"890519"	104.406124	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"11281"	315.232924	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"454854"	473.353024	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"826456"	157.112824	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"83167"	631.473124	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"526008"	947.713324	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"909278"	315.232924	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"60739"	648.499671	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"496654"	964.739871	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"874457"	332.259471	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"46002"	653.455066	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"485201"	969.695266	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"863901"	337.214866	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1633592"	337.214866	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"109431"	333.221263	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"549395"	491.341363	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"937765"	175.101163	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"277415"	667.449802	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"667654"	983.690002	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1288084"	351.209602	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"29910"	669.429006	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"469469"	985.669206	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"844356"	353.188806	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1564567"	353.188806	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"953541"	361.238394	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"367382"	677.478601	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"355642"	691.494251	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1499006"	375.254051	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"970920"	383.220351	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"111320"	351.209602	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"555013"	509.329702	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1025998"	193.089502	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1244480"	395.159085	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1307293"	397.215072	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1323333"	419.197029	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"923145"	429.225786	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1300949"	465.202464	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1373642"	281.227524	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1390050"	299.2375	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"287549"	633.487676	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"678146"	949.727876	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1355223"	317.247476	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"129568"	317.247476	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"569127"	475.367576	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1037926"	159.127376	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"206928"	211.834076	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"650501"	317.247476	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1170815"	106.420676	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"436276"	650.514223	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"797271"	966.754423	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1691414"	334.274023	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"338600"	325.7607495	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"733207"	483.8808495	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1488122"	167.6406495	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"404613"	655.469618	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"765607"	971.709818	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1616621"	339.229418	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"329209"	328.238447	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"719446"	486.358547	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1471078"	170.118347	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1064322"	113.74799	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1262725"	349.273686	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"383488"	671.443558	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"746670"	987.683758	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1545444"	355.203358	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"305897"	336.225417	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"702695"	494.345517	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1455420"	178.105317	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"246210"	674.514226	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1222200"	358.274026	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1201342"	179.640651	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"193484"	677.45156	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"630857"	993.69176	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1132174"	361.21136	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"176563"	339.229418	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"613568"	497.349518	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1130575"	181.109318	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1413863"	121.075304	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1442575"	363.252946	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"232267"	344.26244	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1519240"	377.30499	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"414915"	347.216388	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"776270"	505.336488	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1673330"	189.096288	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"256935"	696.496168	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1230375"	380.255968	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1717437"	380.279493	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1182063"	128.402618	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1653417"	385.234888	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"159185"	709.39944	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"600932"	1025.63964	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1087632"	393.15924	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"150648"	355.203358	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"594951"	513.323458	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1072900"	197.083258	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1102099"	395.173792	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1341399"	395.261407	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1012115"	399.300576	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1527321"	400.294208	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"1002156"	200.153926	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1594475"	401.208828	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1420136"	431.240338	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1156983"	220.667201	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1699979"	448.266885	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1641098"	453.22228	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1582216"	469.19622	"C10839"	"Urushiol III;3-(811-Pentadecadienyl)-12-benzenediol"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"814769"	266.1518	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M"	0
"988670"	247.13341	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-H2O-H"	-19.01839
"68892"	176.427257333333	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M-3H"	-3.021828
"512826"	265.144524	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M-3H"	-3.021828
"887349"	87.7099906666667	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-3H"	-3.021828
"11392"	265.144524	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M-2H"	-2.014552
"455451"	398.220424	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M-2H"	-2.014552
"826566"	132.068624	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-2H"	-2.014552
"85464"	531.296324	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M-H"	-1.007276
"526118"	797.448124	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M-H"	-1.007276
"908295"	265.144524	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-H"	-1.007276
"60483"	548.322871	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M-2H+NH4"	16.019271
"496764"	814.474671	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M-2H+NH4"	16.019271
"874567"	282.171071	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-2H+NH4"	16.019271
"42467"	553.278266	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M-2H+Na"	20.974666
"486648"	819.430066	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M-2H+Na"	20.974666
"864009"	287.126466	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-2H+Na"	20.974666
"1634069"	287.126466	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Na-2H"	20.974666
"109830"	283.132863	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M-H+Cl"	33.962126
"549585"	416.208763	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M-H+Cl"	33.962126
"935688"	150.056963	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-H+Cl"	33.962126
"273149"	567.273002	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+Cl"	34.969402
"666665"	833.424802	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+Cl"	34.969402
"1276889"	301.121202	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Cl"	34.969402
"23824"	569.252206	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M-2H+K"	36.948606
"468850"	835.404006	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M-2H+K"	36.948606
"844466"	303.100406	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-2H+K"	36.948606
"1561397"	303.100406	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+K-2H"	36.948606
"953651"	311.149994	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-H+HCOOH"	44.998194
"369679"	577.301801	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+HCOOH-H"	44.998201
"356845"	591.317451	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+Hac-H"	59.013851
"1502396"	325.165651	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Hac-H"	59.013851
"972853"	333.131951	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-H+NaCOOH"	66.980151
"117748"	301.121202	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+2Cl"	69.938804
"556216"	434.197102	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+2Cl"	69.938804
"1027202"	168.045302	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2Cl"	69.938804
"1245684"	345.070685	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Br"	78.918885
"1308134"	347.126672	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Cl+HCOOH"	80.974872
"1323444"	369.108629	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Cl+NaCOOH"	102.956829
"914504"	379.137386	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M-H+CF3COOH"	112.985586
"1301059"	415.114064	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Cl+CF3COOH"	148.962264
"1380312"	231.139124	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H-2H2O"	-35.012676
"1390160"	249.1491	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H-H2O"	-17.0027
"289846"	533.310876	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+H"	1.007276
"678620"	799.462676	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+H"	1.007276
"1357520"	267.159076	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H"	1.007276
"130407"	267.159076	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+2H"	2.014552
"572154"	400.234976	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+2H"	2.014552
"1038401"	134.083176	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2H"	2.014552
"205335"	178.441809333333	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+3H"	3.021828
"649151"	267.159076	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+3H"	3.021828
"1173111"	89.7245426666667	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+3H"	3.021828
"435292"	550.337423	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+NH4"	18.033823
"794099"	816.489223	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+NH4"	18.033823
"1691524"	284.185623	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+NH4"	18.033823
"340895"	275.6723495	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+H+NH4"	19.041099
"735504"	408.7482495	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+H+NH4"	19.041099
"1489325"	142.5964495	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H+NH4"	19.041099
"406181"	555.292818	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+Na"	22.989218
"766810"	821.444618	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+Na"	22.989218
"1613815"	289.141018	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Na"	22.989218
"329198"	278.150047	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+H+Na"	23.996494
"719553"	411.225947	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+H+Na"	23.996494
"1470094"	145.074147	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H+Na"	23.996494
"1060058"	97.0518566666667	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2H+Na"	25.00377
"1263929"	299.185286	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+CH3OH+H"	33.033486
"384691"	571.266758	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+K"	38.963158
"750059"	837.418558	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+K"	38.963158
"1545554"	305.114958	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+K"	38.963158
"306007"	286.137017	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+H+K"	39.970434
"704991"	419.212917	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+H+K"	39.970434
"1455530"	153.061117	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H+K"	39.970434
"246320"	574.337426	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+ACN+H"	42.033826
"1221216"	308.185626	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+ACN+H"	42.033826
"1200725"	154.596451	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+ACN+2H"	43.041102
"193594"	577.27476	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+2Na-H"	44.97116
"630603"	843.42656	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+2Na-H"	44.97116
"1132772"	311.12296	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2Na-H"	44.97116
"173632"	289.141018	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+2Na"	45.978436
"613557"	422.216918	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+2Na"	45.978436
"1129714"	156.065118	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2Na"	45.978436
"1408741"	104.379170666667	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H+2Na"	46.985712
"1443412"	313.164546	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H+HCOOH"	47.012746
"230553"	294.17404	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+3H2O+2H"	56.04448
"1518621"	327.21659	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+IsoProp+H"	61.06479
"418305"	297.127988	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+Na+K"	61.952376
"776017"	430.203888	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+Na+K"	61.952376
"1671253"	164.052088	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Na+K"	61.952376
"258869"	596.319368	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+ACN+Na"	64.015768
"1229757"	330.167568	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+ACN+Na"	64.015768
"1720465"	330.191093	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+NH4+HCOOH"	64.039293
"1181811"	111.706484666667	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+3Na"	68.967654
"1652434"	335.146488	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Na+HCOOH"	68.994688
"159296"	609.22264	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+2K-H"	76.91904
"598854"	875.37444	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+2K-H"	76.91904
"1085919"	343.07084	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2K-H"	76.91904
"150029"	305.114958	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"2M+2K"	77.926316
"596154"	438.190858	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"3M+2K"	77.926316
"1071917"	172.039058	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2K"	77.926316
"1102938"	345.085392	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2K+H"	78.933592
"1338229"	345.173007	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+DMSO+H"	79.021207
"1008945"	349.212176	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2ACN+H"	83.060376
"1526338"	350.205808	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+IsoProp+Na+H"	84.054008
"1000079"	175.109726	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+2ACN+2H"	84.067652
"1594585"	351.120428	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+K+HCOOH"	84.968628
"1420246"	381.151938	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+H+CF3COOH"	115.000138
"1154906"	195.623001	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+3ACN+2H"	125.094202
"1700089"	398.178485	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+NH4+CF3COOH"	132.026685
"1641208"	403.13388	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+Na+CF3COOH"	136.98208
"1582326"	419.10782	"C10840"	"Zinniol"	"C15H22O4"	"266.1518"	"M+K+CF3COOH"	152.95602
"814879"	165.1154	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M"	0
"986228"	146.09701	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-H2O-H"	-19.01839
"69002"	109.069657333333	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M-3H"	-3.021828
"512936"	164.108124	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M-3H"	-3.021828
"884178"	54.0311906666667	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-3H"	-3.021828
"10409"	164.108124	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M-2H"	-2.014552
"455286"	246.665824	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M-2H"	-2.014552
"828863"	81.550424	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-2H"	-2.014552
"88490"	329.223524	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M-H"	-1.007276
"529508"	494.338924	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M-H"	-1.007276
"908286"	164.108124	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-H"	-1.007276
"62054"	346.250071	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M-2H+NH4"	16.019271
"500034"	511.365471	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M-2H+NH4"	16.019271
"878689"	181.134671	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-2H+NH4"	16.019271
"42577"	351.205466	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M-2H+Na"	20.974666
"483231"	516.320866	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M-2H+Na"	20.974666
"862372"	186.090066	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-2H+Na"	20.974666
"1631296"	186.090066	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Na-2H"	20.974666
"109167"	182.096463	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M-H+Cl"	33.962126
"548604"	264.654163	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M-H+Cl"	33.962126
"939688"	99.538763	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-H+Cl"	33.962126
"278728"	365.200202	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+Cl"	34.969402
"664590"	530.315602	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+Cl"	34.969402
"1280279"	200.084802	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Cl"	34.969402
"28307"	367.179406	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M-2H+K"	36.948606
"466772"	532.294806	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M-2H+K"	36.948606
"843482"	202.064006	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-2H+K"	36.948606
"1562596"	202.064006	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+K-2H"	36.948606
"950481"	210.113594	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-H+HCOOH"	44.998194
"369788"	375.229001	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+HCOOH-H"	44.998201
"353673"	389.244651	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+Hac-H"	59.013851
"1505786"	224.129251	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Hac-H"	59.013851
"972112"	232.095551	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-H+NaCOOH"	66.980151
"117858"	200.084802	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+2Cl"	69.938804
"553046"	282.642502	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+2Cl"	69.938804
"1024396"	117.527102	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2Cl"	69.938804
"1247984"	244.034285	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Br"	78.918885
"1309339"	246.090272	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Cl+HCOOH"	80.974872
"1324646"	268.072229	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Cl+NaCOOH"	102.956829
"914613"	278.100986	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M-H+CF3COOH"	112.985586
"1300076"	314.077664	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Cl+CF3COOH"	148.962264
"1377142"	130.102724	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H-2H2O"	-35.012676
"1394644"	148.1127	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H-H2O"	-17.0027
"289956"	331.238076	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+H"	1.007276
"678002"	496.353476	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+H"	1.007276
"1352891"	166.122676	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H"	1.007276
"128695"	166.122676	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+2H"	2.014552
"566796"	248.680376	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+2H"	2.014552
"1038876"	83.564976	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2H"	2.014552
"206055"	111.084209333333	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+3H"	3.021828
"648168"	166.122676	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+3H"	3.021828
"1172127"	56.0457426666667	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+3H"	3.021828
"434309"	348.264623	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+NH4"	18.033823
"794210"	513.380023	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+NH4"	18.033823
"1690542"	183.149223	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+NH4"	18.033823
"341005"	174.6359495	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+H+NH4"	19.041099
"735611"	257.1936495	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+H+NH4"	19.041099
"1486155"	92.0782495	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H+NH4"	19.041099
"403738"	353.220018	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+Na"	22.989218
"766920"	518.335418	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+Na"	22.989218
"1609551"	188.104618	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Na"	22.989218
"317400"	177.113647	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+H+Na"	23.996494
"713102"	259.671347	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+H+Na"	23.996494
"1469112"	94.555947	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H+Na"	23.996494
"1060169"	63.3730566666667	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2H+Na"	25.00377
"1265131"	198.148886	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+CH3OH+H"	33.033486
"384800"	369.193958	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+K"	38.963158
"746888"	534.309358	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+K"	38.963158
"1547850"	204.078558	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+K"	38.963158
"306117"	185.100617	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+H+K"	39.970434
"704007"	267.658317	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+H+K"	39.970434
"1456734"	102.542917	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H+K"	39.970434
"245338"	372.264626	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+ACN+H"	42.033826
"1218045"	207.149226	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+ACN+H"	42.033826
"1197554"	104.078251	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+ACN+2H"	43.041102
"192976"	375.20196	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+2Na-H"	44.97116
"635817"	540.31736	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+2Na-H"	44.97116
"1132516"	210.08656	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2Na-H"	44.97116
"173333"	188.104618	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+2Na"	45.978436
"613543"	270.662318	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+2Na"	45.978436
"1130312"	105.546918	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2Na"	45.978436
"1412134"	70.7003706666667	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H+2Na"	46.985712
"1441699"	212.128146	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H+HCOOH"	47.012746
"229569"	193.13764	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+3H2O+2H"	56.04448
"1520555"	226.18019	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+IsoProp+H"	61.06479
"416229"	196.091588	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+Na+K"	61.952376
"776492"	278.649288	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+Na+K"	61.952376
"1671727"	113.533888	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Na+K"	61.952376
"257882"	394.246568	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+ACN+Na"	64.015768
"1230957"	229.131168	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+ACN+Na"	64.015768
"1718749"	229.154693	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+NH4+HCOOH"	64.039293
"1180461"	78.0276846666667	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+3Na"	68.967654
"1653268"	234.110088	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Na+HCOOH"	68.994688
"159405"	407.14984	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+2K-H"	76.91904
"598232"	572.26524	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+2K-H"	76.91904
"1085417"	242.03444	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2K-H"	76.91904
"150139"	204.078558	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"2M+2K"	77.926316
"595900"	286.636258	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"3M+2K"	77.926316
"1077495"	121.520858	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2K"	77.926316
"1104143"	244.048992	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2K+H"	78.933592
"1337246"	244.136607	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+DMSO+H"	79.021207
"1009055"	248.175776	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2ACN+H"	83.060376
"1524990"	249.169408	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+IsoProp+Na+H"	84.054008
"1002377"	124.591526	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+2ACN+2H"	84.067652
"1597975"	250.084028	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+K+HCOOH"	84.968628
"1420356"	280.115538	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+H+CF3COOH"	115.000138
"1157203"	145.104801	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+3ACN+2H"	125.094202
"1703479"	297.142085	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+NH4+CF3COOH"	132.026685
"1641318"	302.09748	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+Na+CF3COOH"	136.98208
"1582436"	318.07142	"C10841"	"Anatoxin a;Ethanone 1-(9-azabicyclo(421)non-2-en-2-yl)- (1R)-"	"C10H15NO"	"165.1154"	"M+K+CF3COOH"	152.95602
"816448"	305.1627	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M"	0
"979776"	286.14431	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H2O-H"	-19.01839
"69112"	202.434524	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-3H"	-3.021828
"509765"	304.155424	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-3H"	-3.021828
"885381"	100.713624	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-3H"	-3.021828
"8330"	304.155424	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H"	-2.014552
"453359"	456.736774	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H"	-2.014552
"826786"	151.574074	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H"	-2.014552
"83497"	609.318124	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-H"	-1.007276
"526339"	914.480824	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-H"	-1.007276
"908395"	304.155424	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H"	-1.007276
"61556"	626.344671	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H+NH4"	16.019271
"500264"	931.507371	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H+NH4"	16.019271
"876973"	321.181971	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H+NH4"	16.019271
"46333"	631.300066	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H+Na"	20.974666
"481155"	936.462766	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H+Na"	20.974666
"863220"	326.137366	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H+Na"	20.974666
"1632874"	326.137366	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na-2H"	20.974666
"109039"	322.143763	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-H+Cl"	33.962126
"548349"	474.725113	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-H+Cl"	33.962126
"939189"	169.562413	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+Cl"	33.962126
"278838"	645.294802	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Cl"	34.969402
"664697"	950.457502	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+Cl"	34.969402
"1280389"	340.132102	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl"	34.969402
"26231"	647.274006	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M-2H+K"	36.948606
"466885"	952.436706	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M-2H+K"	36.948606
"845781"	342.111306	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-2H+K"	36.948606
"1569268"	342.111306	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K-2H"	36.948606
"953873"	350.160894	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+HCOOH"	44.998194
"366620"	655.323601	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+HCOOH-H"	44.998201
"349409"	669.339251	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Hac-H"	59.013851
"1502615"	364.176551	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Hac-H"	59.013851
"965782"	372.142851	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+NaCOOH"	66.980151
"114688"	340.132102	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2Cl"	69.938804
"553520"	492.713452	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2Cl"	69.938804
"1027421"	187.550752	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2Cl"	69.938804
"1249188"	384.081585	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Br"	78.918885
"1309448"	386.137572	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl+HCOOH"	80.974872
"1321479"	408.119529	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl+NaCOOH"	102.956829
"912536"	418.148286	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M-H+CF3COOH"	112.985586
"1301279"	454.124964	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Cl+CF3COOH"	148.962264
"1380536"	270.150024	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H-2H2O"	-35.012676
"1395847"	288.16	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H-H2O"	-17.0027
"290066"	611.332676	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H"	1.007276
"683580"	916.495376	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H"	1.007276
"1355554"	306.169976	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H"	1.007276
"129901"	306.169976	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2H"	2.014552
"568728"	458.751326	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2H"	2.014552
"1039351"	153.588626	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2H"	2.014552
"209445"	204.449076	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+3H"	3.021828
"648642"	306.169976	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+3H"	3.021828
"1172237"	102.728176	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+3H"	3.021828
"437336"	628.359223	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+NH4"	18.033823
"798692"	933.521923	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+NH4"	18.033823
"1693932"	323.196523	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+NH4"	18.033823
"344395"	314.6832495	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H+NH4"	19.041099
"736816"	467.2645995	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H+NH4"	19.041099
"1490274"	162.1018995	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+NH4"	19.041099
"404941"	633.314618	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Na"	22.989218
"769096"	938.477318	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+Na"	22.989218
"1612942"	328.151918	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na"	22.989218
"327353"	317.160947	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H+Na"	23.996494
"720868"	469.742297	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H+Na"	23.996494
"1472500"	164.579597	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+Na"	23.996494
"1061372"	110.05549	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2H+Na"	25.00377
"1265241"	338.196186	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+CH3OH+H"	33.033486
"382723"	649.288558	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+K"	38.963158
"748091"	954.451258	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+K"	38.963158
"1545773"	344.125858	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K"	38.963158
"307321"	325.147917	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+H+K"	39.970434
"701930"	477.729267	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+H+K"	39.970434
"1457573"	172.566567	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+K"	39.970434
"239981"	652.359226	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+ACN+H"	42.033826
"1214510"	347.196526	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+ACN+H"	42.033826
"1196935"	174.101901	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+ACN+2H"	43.041102
"190171"	655.29656	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2Na-H"	44.97116
"634105"	960.45926	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2Na-H"	44.97116
"1132018"	350.13386	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2Na-H"	44.97116
"173849"	328.151918	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2Na"	45.978436
"613163"	480.733268	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2Na"	45.978436
"1126527"	175.570568	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2Na"	45.978436
"1410051"	117.382804	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+2Na"	46.985712
"1442173"	352.175446	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+HCOOH"	47.012746
"230773"	333.18494	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+3H2O+2H"	56.04448
"1518840"	366.22749	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+IsoProp+H"	61.06479
"415245"	336.138888	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+Na+K"	61.952376
"775508"	488.720238	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+Na+K"	61.952376
"1670378"	183.557538	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na+K"	61.952376
"257262"	674.341168	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+ACN+Na"	64.015768
"1229973"	369.178468	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+ACN+Na"	64.015768
"1715578"	369.201993	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+NH4+HCOOH"	64.039293
"1181298"	124.710118	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+3Na"	68.967654
"1652649"	374.157388	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na+HCOOH"	68.994688
"157933"	687.24444	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2K-H"	76.91904
"597531"	992.40714	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2K-H"	76.91904
"1084919"	382.08174	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2K-H"	76.91904
"148063"	344.125858	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"2M+2K"	77.926316
"594916"	496.707208	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"3M+2K"	77.926316
"1077605"	191.544508	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2K"	77.926316
"1104253"	384.096292	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2K+H"	78.933592
"1338450"	384.183907	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+DMSO+H"	79.021207
"1012445"	388.223076	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2ACN+H"	83.060376
"1528383"	389.216708	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+IsoProp+Na+H"	84.054008
"1004068"	194.615176	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+2ACN+2H"	84.067652
"1595896"	390.131328	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K+HCOOH"	84.968628
"1422651"	420.162838	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+H+CF3COOH"	115.000138
"1159500"	215.128451	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+3ACN+2H"	125.094202
"1701400"	437.189385	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+NH4+CF3COOH"	132.026685
"1641428"	442.14478	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+Na+CF3COOH"	136.98208
"1582546"	458.11872	"C10842"	"Anisodamine;6-Hydroxyhyoscyamine"	"C17H23NO4"	"305.1627"	"M+K+CF3COOH"	152.95602
"814007"	271.1572	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M"	0
"977699"	252.13881	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-H2O-H"	-19.01839
"69222"	179.764190666667	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M-3H"	-3.021828
"506595"	270.149924	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M-3H"	-3.021828
"887678"	89.3784573333333	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-3H"	-3.021828
"11720"	270.149924	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M-2H"	-2.014552
"454686"	405.728524	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M-2H"	-2.014552
"826896"	134.571324	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-2H"	-2.014552
"83607"	541.307124	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M-H"	-1.007276
"526449"	812.464324	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M-H"	-1.007276
"908384"	270.149924	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-H"	-1.007276
"62396"	558.333671	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M-2H+NH4"	16.019271
"500253"	829.490871	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M-2H+NH4"	16.019271
"877083"	287.176471	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-2H+NH4"	16.019271
"44983"	563.289066	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M-2H+Na"	20.974666
"482358"	834.446266	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M-2H+Na"	20.974666
"863575"	292.131866	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-2H+Na"	20.974666
"1633912"	292.131866	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Na-2H"	20.974666
"109509"	288.138263	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M-H+Cl"	33.962126
"545784"	423.716863	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M-H+Cl"	33.962126
"936019"	152.559663	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-H+Cl"	33.962126
"276761"	577.283802	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+Cl"	34.969402
"666995"	848.441002	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+Cl"	34.969402
"1280499"	306.126602	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Cl"	34.969402
"25249"	579.263006	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M-2H+K"	36.948606
"469544"	850.420206	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M-2H+K"	36.948606
"842610"	308.105806	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-2H+K"	36.948606
"1561723"	308.105806	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+K-2H"	36.948606
"953983"	316.155394	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-H+HCOOH"	44.998194
"367824"	587.312601	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+HCOOH-H"	44.998201
"351706"	601.328251	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+Hac-H"	59.013851
"1499446"	330.171051	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Hac-H"	59.013851
"962613"	338.137351	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-H+NaCOOH"	66.980151
"114798"	306.126602	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+2Cl"	69.938804
"556546"	441.705202	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+2Cl"	69.938804
"1024251"	170.548002	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2Cl"	69.938804
"1246018"	350.076085	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Br"	78.918885
"1305306"	352.132072	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Cl+HCOOH"	80.974872
"1328152"	374.114029	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Cl+NaCOOH"	102.956829
"912645"	384.142786	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M-H+CF3COOH"	112.985586
"1294826"	420.119464	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Cl+CF3COOH"	148.962264
"1381739"	236.144524	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H-2H2O"	-35.012676
"1395957"	254.1545	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H-H2O"	-17.0027
"290176"	543.321676	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+H"	1.007276
"683690"	814.478876	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+H"	1.007276
"1355664"	272.164476	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H"	1.007276
"129647"	272.164476	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+2H"	2.014552
"567017"	407.743076	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+2H"	2.014552
"1039097"	136.585876	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2H"	2.014552
"208461"	181.778742666667	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+3H"	3.021828
"650210"	272.164476	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+3H"	3.021828
"1174534"	91.3930093333333	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+3H"	3.021828
"436716"	560.348223	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+NH4"	18.033823
"796616"	831.505423	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+NH4"	18.033823
"1695135"	289.191023	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+NH4"	18.033823
"344505"	280.6777495	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+H+NH4"	19.041099
"735834"	416.2563495	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+H+NH4"	19.041099
"1490020"	145.0991495	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H+NH4"	19.041099
"405051"	565.303618	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+Na"	22.989218
"763858"	836.460818	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+Na"	22.989218
"1614145"	294.146418	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Na"	22.989218
"328556"	283.155447	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+H+Na"	23.996494
"716603"	418.734047	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+H+Na"	23.996494
"1472610"	147.576847	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H+Na"	23.996494
"1059295"	98.7203233333333	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2H+Na"	25.00377
"1267538"	304.190686	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+CH3OH+H"	33.033486
"385019"	581.277558	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+K"	38.963158
"748201"	852.434758	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+K"	38.963158
"1546974"	310.120358	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+K"	38.963158
"307431"	291.142417	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+H+K"	39.970434
"700947"	426.721017	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+H+K"	39.970434
"1459141"	155.563817	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H+K"	39.970434
"243371"	584.348226	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+ACN+H"	42.033826
"1220453"	313.191026	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+ACN+H"	42.033826
"1202150"	157.099151	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+ACN+2H"	43.041102
"191375"	587.28556	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+2Na-H"	44.97116
"636767"	858.44276	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+2Na-H"	44.97116
"1136626"	316.12836	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2Na-H"	44.97116
"175299"	294.146418	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+2Na"	45.978436
"613522"	429.725018	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+2Na"	45.978436
"1129432"	158.567818	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2Na"	45.978436
"1410161"	106.047637333333	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H+2Na"	46.985712
"1441190"	318.169946	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H+HCOOH"	47.012746
"230883"	299.17944	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+3H2O+2H"	56.04448
"1518950"	332.22199	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+IsoProp+H"	61.06479
"414259"	302.133388	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+Na+K"	61.952376
"774888"	437.711988	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+Na+K"	61.952376
"1671946"	166.554788	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Na+K"	61.952376
"254821"	606.330168	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+ACN+Na"	64.015768
"1228989"	335.172968	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+ACN+Na"	64.015768
"1718970"	335.196493	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+NH4+HCOOH"	64.039293
"1180680"	113.374951333333	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+3Na"	68.967654
"1651302"	340.151888	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Na+HCOOH"	68.994688
"157800"	619.23344	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+2K-H"	76.91904
"597359"	890.39064	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+2K-H"	76.91904
"1085152"	348.07624	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2K-H"	76.91904
"152547"	310.120358	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"2M+2K"	77.926316
"591015"	445.698958	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"3M+2K"	77.926316
"1078808"	174.541758	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2K"	77.926316
"1107643"	350.090792	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2K+H"	78.933592
"1337588"	350.178407	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+DMSO+H"	79.021207
"1011462"	354.217576	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2ACN+H"	83.060376
"1528493"	355.211208	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+IsoProp+Na+H"	84.054008
"1002597"	177.612426	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+2ACN+2H"	84.067652
"1593820"	356.125828	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+K+HCOOH"	84.968628
"1422761"	386.157338	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+H+CF3COOH"	115.000138
"1159610"	198.125701	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+3ACN+2H"	125.094202
"1698594"	403.183885	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+NH4+CF3COOH"	132.026685
"1638258"	408.13928	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+Na+CF3COOH"	136.98208
"1582656"	424.11322	"C10843"	"Apoatropine"	"C17H21NO2"	"271.1572"	"M+K+CF3COOH"	152.95602
"814117"	285.1365	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M"	0
"976715"	266.11811	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"63498"	189.083724	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"506705"	284.129224	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"881954"	94.038224	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"8550"	284.129224	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"453579"	426.697474	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"823726"	141.560974	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"85903"	569.265724	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"526559"	854.402224	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"909586"	284.129224	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"59830"	586.292271	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"499391"	871.428771	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"871725"	301.155771	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"45093"	591.247666	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"482468"	876.384166	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"864096"	306.111166	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1634021"	306.111166	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"109978"	302.117563	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"549929"	444.685813	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"940501"	159.549313	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"277964"	605.242402	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"664918"	890.378902	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1286077"	320.105902	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"27545"	607.221606	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"468197"	892.358106	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"842718"	322.085106	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1567300"	322.085106	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"956283"	330.134694	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"369027"	615.271201	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"359471"	629.286851	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1502836"	344.150351	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"970377"	352.116651	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"113815"	320.105902	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"553740"	462.674152	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1026548"	177.537652	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1246128"	364.055385	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1305051"	366.111372	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1320971"	388.093329	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"912019"	398.122086	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1294936"	434.098764	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1378568"	250.123824	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1394610"	268.1338	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"292474"	571.280276	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"683801"	856.416776	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1357962"	286.143776	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"129757"	286.143776	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"567491"	428.712026	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1039575"	143.575526	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"207478"	191.098276	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"649226"	286.143776	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1172458"	96.052776	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"438410"	588.306823	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"795635"	873.443323	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1691966"	303.170323	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"343525"	294.6570495	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"734853"	437.2252995	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1487579"	152.0887995	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"405164"	593.262218	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"765065"	878.398718	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1610976"	308.125718	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"325387"	297.134747	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"715620"	439.702997	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1470533"	154.566497	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1058312"	103.38009	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1266556"	318.169986	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"386224"	609.236158	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"745032"	894.372658	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1548179"	324.099658	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"305355"	305.121717	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"701057"	447.689967	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1458887"	162.553467	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"245668"	612.306826	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1221658"	327.170326	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1203354"	164.088801	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"194037"	615.24416	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"639793"	900.38066	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1134915"	330.10766	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"174435"	308.125718	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"613993"	450.693968	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1121275"	165.557468	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1413187"	110.707404	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1442390"	332.149246	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"229903"	313.15874	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1515780"	346.20129	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"413279"	316.112688	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"773179"	458.680938	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1672058"	173.544438	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"255299"	634.288768	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1230559"	349.152268	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1716893"	349.175793	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1180790"	118.034718	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1651777"	354.131188	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"157909"	647.19204	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"597711"	932.32854	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1085018"	362.05554	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"142198"	324.099658	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"585657"	466.667908	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1071264"	181.531408	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1106660"	364.070092	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1337577"	364.157707	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1011572"	368.196876	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1524583"	369.190508	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"995052"	184.602076	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1595023"	370.105128	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1423964"	400.136638	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1157533"	205.115351	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1699433"	417.163185	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1641648"	422.11858	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1579486"	438.09252	"C10844"	"Apohyoscine"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"816413"	542.3145	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M"	0
"983387"	523.29611	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-H2O-H"	-19.01839
"72723"	360.535724	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M-3H"	-3.021828
"506815"	541.307224	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M-3H"	-3.021828
"887898"	179.764224	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-3H"	-3.021828
"11940"	541.307224	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M-2H"	-2.014552
"452596"	812.464474	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M-2H"	-2.014552
"823837"	270.149974	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-2H"	-2.014552
"86014"	1083.621724	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M-H"	-1.007276
"531773"	1625.936224	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M-H"	-1.007276
"910062"	541.307224	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-H"	-1.007276
"62657"	1100.648271	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M-2H+NH4"	16.019271
"502544"	1642.962771	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M-2H+NH4"	16.019271
"879837"	558.333771	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-2H+NH4"	16.019271
"45692"	1105.603666	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M-2H+Na"	20.974666
"484764"	1647.918166	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M-2H+Na"	20.974666
"864152"	563.289166	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-2H+Na"	20.974666
"1632102"	563.289166	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Na-2H"	20.974666
"108510"	559.295563	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M-H+Cl"	33.962126
"549904"	830.452813	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M-H+Cl"	33.962126
"939519"	288.138313	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-H+Cl"	33.962126
"275890"	1119.598402	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+Cl"	34.969402
"669403"	1661.912902	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+Cl"	34.969402
"1282907"	577.283902	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Cl"	34.969402
"24376"	1121.577606	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M-2H+K"	36.948606
"467213"	1663.892106	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M-2H+K"	36.948606
"845014"	579.263106	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-2H+K"	36.948606
"1567410"	579.263106	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+K-2H"	36.948606
"956389"	587.312694	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-H+HCOOH"	44.998194
"370230"	1129.627201	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+HCOOH-H"	44.998201
"358488"	1143.642851	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+Hac-H"	59.013851
"1502946"	601.328351	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Hac-H"	59.013851
"971580"	609.294651	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-H+NaCOOH"	66.980151
"113560"	577.283902	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+2Cl"	69.938804
"552758"	848.441152	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+2Cl"	69.938804
"1023378"	306.126652	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2Cl"	69.938804
"1245509"	621.233385	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Br"	78.918885
"1305523"	623.289372	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Cl+HCOOH"	80.974872
"1324725"	645.271329	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Cl+NaCOOH"	102.956829
"912622"	655.300086	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M-H+CF3COOH"	112.985586
"1295046"	691.276764	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Cl+CF3COOH"	148.962264
"1379771"	507.301824	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H-2H2O"	-35.012676
"1396177"	525.3118	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H-H2O"	-17.0027
"293677"	1085.636276	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+H"	1.007276
"685004"	1627.950776	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+H"	1.007276
"1360258"	543.321776	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H"	1.007276
"133147"	543.321776	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+2H"	2.014552
"568329"	814.479026	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+2H"	2.014552
"1040048"	272.164526	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2H"	2.014552
"208683"	362.550276	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+3H"	3.021828
"651160"	543.321776	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+3H"	3.021828
"1173661"	181.778776	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+3H"	3.021828
"438520"	1102.662823	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+NH4"	18.033823
"795745"	1644.977323	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+NH4"	18.033823
"1694993"	560.348323	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+NH4"	18.033823
"345420"	551.8350495	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+H+NH4"	19.041099
"737880"	822.9922995	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+H+NH4"	19.041099
"1488783"	280.6777995	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H+NH4"	19.041099
"407096"	1107.618218	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+Na"	22.989218
"767361"	1649.932718	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+Na"	22.989218
"1613274"	565.303718	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Na"	22.989218
"326590"	554.312747	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+H+Na"	23.996494
"713543"	825.469997	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+H+Na"	23.996494
"1468455"	283.155497	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H+Na"	23.996494
"1061703"	189.10609	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2H+Na"	25.00377
"1270317"	575.347986	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+CH3OH+H"	33.033486
"389617"	1123.592158	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+K"	38.963158
"748423"	1665.906658	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+K"	38.963158
"1551206"	581.277658	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+K"	38.963158
"309842"	562.299717	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+H+K"	39.970434
"701168"	833.456967	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+H+K"	39.970434
"1458998"	291.142467	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H+K"	39.970434
"245778"	1126.662826	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+ACN+H"	42.033826
"1221404"	584.348326	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+ACN+H"	42.033826
"1205285"	292.677801	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+ACN+2H"	43.041102
"194511"	1129.60016	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+2Na-H"	44.97116
"635893"	1671.91466	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+2Na-H"	44.97116
"1134294"	587.28566	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2Na-H"	44.97116
"173330"	565.303718	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+2Na"	45.978436
"613618"	836.460968	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+2Na"	45.978436
"1127585"	294.146468	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2Na"	45.978436
"1414040"	196.433404	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H+2Na"	46.985712
"1445295"	589.327246	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H+HCOOH"	47.012746
"235529"	570.33674	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+3H2O+2H"	56.04448
"1516983"	603.37929	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+IsoProp+H"	61.06479
"416667"	573.290688	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+Na+K"	61.952376
"777662"	844.447938	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+Na+K"	61.952376
"1673991"	302.133438	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Na+K"	61.952376
"257231"	1148.644768	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+ACN+Na"	64.015768
"1229941"	606.330268	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+ACN+Na"	64.015768
"1717733"	606.353793	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+NH4+HCOOH"	64.039293
"1181629"	203.760718	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+3Na"	68.967654
"1653709"	611.309188	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Na+HCOOH"	68.994688
"158870"	1161.54804	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+2K-H"	76.91904
"598429"	1703.86254	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+2K-H"	76.91904
"1085616"	619.23354	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2K-H"	76.91904
"146204"	581.277658	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"2M+2K"	77.926316
"592328"	852.434908	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"3M+2K"	77.926316
"1072467"	310.120408	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2K"	77.926316
"1107864"	621.248092	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2K+H"	78.933592
"1348381"	621.335707	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+DMSO+H"	79.021207
"1018245"	625.374876	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2ACN+H"	83.060376
"1537462"	626.368508	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+IsoProp+Na+H"	84.054008
"1001724"	313.191076	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+2ACN+2H"	84.067652
"1598414"	627.283128	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+K+HCOOH"	84.968628
"1426262"	657.314638	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+H+CF3COOH"	115.000138
"1152177"	333.704351	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+3ACN+2H"	125.094202
"1699542"	674.341185	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+NH4+CF3COOH"	132.026685
"1641758"	679.29658	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+Na+CF3COOH"	136.98208
"1579596"	695.27052	"C10845"	"Belladonnine"	"C34H42N2O4"	"542.3145"	"M+K+CF3COOH"	152.95602
"809961"	205.1103	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M"	0
"982404"	186.09191	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-H2O-H"	-19.01839
"69552"	135.732924	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M-3H"	-3.021828
"506925"	204.103024	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M-3H"	-3.021828
"884728"	67.362824	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-3H"	-3.021828
"8770"	204.103024	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M-2H"	-2.014552
"451612"	306.658174	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M-2H"	-2.014552
"823946"	101.547874	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-2H"	-2.014552
"86124"	409.213324	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M-H"	-1.007276
"528967"	614.323624	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M-H"	-1.007276
"909686"	204.103024	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-H"	-1.007276
"62119"	426.239871	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M-2H+NH4"	16.019271
"502574"	631.350171	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M-2H+NH4"	16.019271
"878996"	221.129571	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-2H+NH4"	16.019271
"45314"	431.195266	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M-2H+Na"	20.974666
"483781"	636.305566	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M-2H+Na"	20.974666
"864035"	226.084966	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-2H+Na"	20.974666
"1631120"	226.084966	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Na-2H"	20.974666
"107649"	222.091363	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M-H+Cl"	33.962126
"548669"	324.646513	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M-H+Cl"	33.962126
"938535"	119.536213	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-H+Cl"	33.962126
"274907"	445.190002	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+Cl"	34.969402
"666233"	650.300302	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+Cl"	34.969402
"1283017"	240.079702	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Cl"	34.969402
"26671"	447.169206	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M-2H+K"	36.948606
"467323"	652.279506	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M-2H+K"	36.948606
"845124"	242.058906	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-2H+K"	36.948606
"1567520"	242.058906	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+K-2H"	36.948606
"956500"	250.108494	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-H+HCOOH"	44.998194
"367424"	455.218801	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+HCOOH-H"	44.998201
"357504"	469.234451	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+Hac-H"	59.013851
"1503056"	264.124151	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Hac-H"	59.013851
"970962"	272.090451	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-H+NaCOOH"	66.980151
"113306"	240.079702	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+2Cl"	69.938804
"551409"	342.634852	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+2Cl"	69.938804
"1022759"	137.524552	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2Cl"	69.938804
"1245255"	284.029185	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Br"	78.918885
"1304784"	286.085172	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Cl+HCOOH"	80.974872
"1321918"	308.067129	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Cl+NaCOOH"	102.956829
"912975"	318.095886	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M-H+CF3COOH"	112.985586
"1295156"	354.072564	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Cl+CF3COOH"	148.962264
"1374412"	170.097624	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H-2H2O"	-35.012676
"1395194"	188.1076	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H-H2O"	-17.0027
"292694"	411.227876	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+H"	1.007276
"684021"	616.338176	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+H"	1.007276
"1359275"	206.117576	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H"	1.007276
"132164"	206.117576	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+2H"	2.014552
"566982"	308.672726	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+2H"	2.014552
"1039430"	103.562426	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2H"	2.014552
"209522"	137.747476	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+3H"	3.021828
"651270"	206.117576	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+3H"	3.021828
"1173771"	69.377376	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+3H"	3.021828
"438144"	428.254423	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+NH4"	18.033823
"796948"	633.364723	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+NH4"	18.033823
"1694739"	223.144123	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+NH4"	18.033823
"344478"	214.6308495	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+H+NH4"	19.041099
"737870"	317.1859995	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+H+NH4"	19.041099
"1489258"	112.0756995	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H+NH4"	19.041099
"406479"	433.209818	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+Na"	22.989218
"767107"	638.320118	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+Na"	22.989218
"1614477"	228.099518	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Na"	22.989218
"326700"	217.108547	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+H+Na"	23.996494
"716933"	319.663697	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+H+Na"	23.996494
"1468565"	114.553397	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H+Na"	23.996494
"1065092"	76.70469	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2H+Na"	25.00377
"1270791"	238.143786	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+CH3OH+H"	33.033486
"388999"	449.183758	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+K"	38.963158
"748533"	654.294058	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+K"	38.963158
"1550587"	244.073458	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+K"	38.963158
"310680"	225.095517	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+H+K"	39.970434
"700185"	327.650667	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+H+K"	39.970434
"1457650"	122.540367	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H+K"	39.970434
"243702"	452.254426	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+ACN+H"	42.033826
"1216411"	247.144126	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+ACN+H"	42.033826
"1202479"	124.075701	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+ACN+2H"	43.041102
"194257"	455.19176	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+2Na-H"	44.97116
"636003"	660.30206	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+2Na-H"	44.97116
"1135499"	250.08146	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2Na-H"	44.97116
"175143"	228.099518	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+2Na"	45.978436
"613242"	330.654668	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+2Na"	45.978436
"1118215"	125.544368	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2Na"	45.978436
"1407210"	84.032004	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H+2Na"	46.985712
"1440423"	252.123046	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H+HCOOH"	47.012746
"234863"	233.13254	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+3H2O+2H"	56.04448
"1517093"	266.17509	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+IsoProp+H"	61.06479
"415684"	236.086488	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+Na+K"	61.952376
"775586"	338.641638	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+Na+K"	61.952376
"1673008"	133.531338	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Na+K"	61.952376
"255155"	474.236368	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+ACN+Na"	64.015768
"1231145"	269.126068	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+ACN+Na"	64.015768
"1718937"	269.149593	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+NH4+HCOOH"	64.039293
"1180281"	91.359318	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+3Na"	68.967654
"1653090"	274.104988	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Na+HCOOH"	68.994688
"158615"	487.13964	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+2K-H"	76.91904
"597188"	692.24994	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+2K-H"	76.91904
"1084875"	282.02934	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2K-H"	76.91904
"144127"	244.073458	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"2M+2K"	77.926316
"592438"	346.628608	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"3M+2K"	77.926316
"1075857"	141.518308	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2K"	77.926316
"1107974"	284.043892	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2K+H"	78.933592
"1347640"	284.131507	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+DMSO+H"	79.021207
"1016169"	288.170676	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2ACN+H"	83.060376
"1534292"	289.164308	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+IsoProp+Na+H"	84.054008
"1001834"	144.588976	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+2ACN+2H"	84.067652
"1597431"	290.078928	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+K+HCOOH"	84.968628
"1426372"	320.110438	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+H+CF3COOH"	115.000138
"1152287"	165.102251	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+3ACN+2H"	125.094202
"1699652"	337.136985	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+NH4+CF3COOH"	132.026685
"1645148"	342.09238	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+Na+CF3COOH"	136.98208
"1582986"	358.06632	"C10846"	"Bellendine"	"C12H15NO2"	"205.1103"	"M+K+CF3COOH"	152.95602
"810071"	289.1314	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M"	0
"982514"	270.11301	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-H2O-H"	-19.01839
"69662"	191.746990666667	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M-3H"	-3.021828
"507035"	288.124124	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M-3H"	-3.021828
"884838"	95.3698573333333	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-3H"	-3.021828
"8880"	288.124124	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M-2H"	-2.014552
"452815"	432.689824	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M-2H"	-2.014552
"821869"	143.558424	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-2H"	-2.014552
"87327"	577.255524	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M-H"	-1.007276
"529077"	866.386924	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M-H"	-1.007276
"910287"	288.124124	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-H"	-1.007276
"62231"	594.282071	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M-2H+NH4"	16.019271
"502280"	883.413471	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M-2H+NH4"	16.019271
"879107"	305.150671	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-2H+NH4"	16.019271
"45914"	599.237466	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M-2H+Na"	20.974666
"485350"	888.368866	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M-2H+Na"	20.974666
"862427"	310.106066	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-2H+Na"	20.974666
"1630501"	310.106066	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Na-2H"	20.974666
"103383"	306.112463	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M-H+Cl"	33.962126
"546224"	450.678163	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M-H+Cl"	33.962126
"936459"	161.546763	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-H+Cl"	33.962126
"272829"	613.232202	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+Cl"	34.969402
"665249"	902.363602	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+Cl"	34.969402
"1283127"	324.100802	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Cl"	34.969402
"24593"	615.211406	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M-2H+K"	36.948606
"465245"	904.342806	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M-2H+K"	36.948606
"839767"	326.080006	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-2H+K"	36.948606
"1563256"	326.080006	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+K-2H"	36.948606
"956609"	334.129594	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-H+HCOOH"	44.998194
"370450"	623.261001	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+HCOOH-H"	44.998201
"357614"	637.276651	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+Hac-H"	59.013851
"1503166"	348.145251	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Hac-H"	59.013851
"969613"	356.111551	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-H+NaCOOH"	66.980151
"113052"	324.100802	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+2Cl"	69.938804
"550425"	468.666502	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+2Cl"	69.938804
"1022869"	179.535102	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2Cl"	69.938804
"1246458"	368.050285	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Br"	78.918885
"1305013"	370.106272	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Cl+HCOOH"	80.974872
"1320934"	392.088229	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Cl+NaCOOH"	102.956829
"912721"	402.116986	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M-H+CF3COOH"	112.985586
"1295266"	438.093664	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Cl+CF3COOH"	148.962264
"1377802"	254.118724	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H-2H2O"	-35.012676
"1395304"	272.1287	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H-H2O"	-17.0027
"292804"	579.270076	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+H"	1.007276
"687411"	868.401476	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+H"	1.007276
"1359385"	290.138676	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H"	1.007276
"132274"	290.138676	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+2H"	2.014552
"568916"	434.704376	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+2H"	2.014552
"1039540"	145.572976	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2H"	2.014552
"207444"	193.761542666667	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+3H"	3.021828
"647005"	290.138676	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+3H"	3.021828
"1170599"	97.3844093333333	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+3H"	3.021828
"433872"	596.296623	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+NH4"	18.033823
"800219"	885.428023	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+NH4"	18.033823
"1693388"	307.165223	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+NH4"	18.033823
"343850"	298.6519495	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+H+NH4"	19.041099
"737003"	443.2176495	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+H+NH4"	19.041099
"1490095"	154.0862495	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H+NH4"	19.041099
"407317"	601.252018	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+Na"	22.989218
"768309"	890.383418	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+Na"	22.989218
"1614586"	312.120618	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Na"	22.989218
"325716"	301.129647	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+H+Na"	23.996494
"713763"	445.695347	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+H+Na"	23.996494
"1469768"	156.563947	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H+Na"	23.996494
"1060828"	104.711723333333	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2H+Na"	25.00377
"1270536"	322.164886	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+CH3OH+H"	33.033486
"390202"	617.225958	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+K"	38.963158
"750830"	906.357358	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+K"	38.963158
"1552156"	328.094558	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+K"	38.963158
"311154"	309.116617	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+H+K"	39.970434
"701388"	453.682317	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+H+K"	39.970434
"1459949"	164.550917	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H+K"	39.970434
"247092"	620.296626	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+ACN+H"	42.033826
"1220895"	331.165226	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+ACN+H"	42.033826
"1208423"	166.086251	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+ACN+2H"	43.041102
"200200"	623.23396	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+2Na-H"	44.97116
"641580"	912.36536	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+2Na-H"	44.97116
"1139619"	334.10256	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2Na-H"	44.97116
"180724"	312.120618	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+2Na"	45.978436
"615911"	456.686318	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+2Na"	45.978436
"1118324"	167.554918	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2Na"	45.978436
"1407320"	112.039037333333	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H+2Na"	46.985712
"1439441"	336.144146	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H+HCOOH"	47.012746
"230599"	317.15364	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+3H2O+2H"	56.04448
"1515746"	350.19619	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+IsoProp+H"	61.06479
"417616"	320.107588	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+Na+K"	61.952376
"776788"	464.673288	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+Na+K"	61.952376
"1674940"	175.541888	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Na+K"	61.952376
"258545"	642.278568	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+ACN+Na"	64.015768
"1232349"	353.147168	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+ACN+Na"	64.015768
"1721963"	353.170693	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+NH4+HCOOH"	64.039293
"1180755"	119.366351333333	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+3Na"	68.967654
"1653567"	358.126088	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Na+HCOOH"	68.994688
"160065"	655.18184	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+2K-H"	76.91904
"598770"	944.31324	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+2K-H"	76.91904
"1085716"	366.05044	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2K-H"	76.91904
"144237"	328.094558	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"2M+2K"	77.926316
"592548"	472.660258	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"3M+2K"	77.926316
"1077061"	183.528858	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2K"	77.926316
"1106990"	368.064992	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2K+H"	78.933592
"1343375"	368.152607	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+DMSO+H"	79.021207
"1015184"	372.191776	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2ACN+H"	83.060376
"1527841"	373.185408	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+IsoProp+Na+H"	84.054008
"994289"	186.599526	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+2ACN+2H"	84.067652
"1592074"	374.100028	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+K+HCOOH"	84.968628
"1423202"	404.131538	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+H+CF3COOH"	115.000138
"1151667"	207.112801	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+3ACN+2H"	125.094202
"1699033"	421.158085	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+NH4+CF3COOH"	132.026685
"1645258"	426.11348	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+Na+CF3COOH"	136.98208
"1583096"	442.08742	"C10847"	"Benzoylecgonine"	"C16H19NO4"	"289.1314"	"M+K+CF3COOH"	152.95602
"810181"	245.1416	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M"	0
"983717"	226.12321	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-H2O-H"	-19.01839
"69772"	162.420457333333	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M-3H"	-3.021828
"510425"	244.134324	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M-3H"	-3.021828
"884948"	80.7065906666667	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-3H"	-3.021828
"8990"	244.134324	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M-2H"	-2.014552
"450739"	366.705124	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M-2H"	-2.014552
"826354"	121.563524	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-2H"	-2.014552
"91691"	489.275924	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M-H"	-1.007276
"531862"	734.417524	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M-H"	-1.007276
"909304"	244.134324	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-H"	-1.007276
"61129"	506.302471	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M-2H+NH4"	16.019271
"502392"	751.444071	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M-2H+NH4"	16.019271
"878003"	261.160871	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-2H+NH4"	16.019271
"45295"	511.257866	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M-2H+Na"	20.974666
"484731"	756.399466	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M-2H+Na"	20.974666
"861444"	266.116266	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-2H+Na"	20.974666
"1630975"	266.116266	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Na-2H"	20.974666
"104586"	262.122663	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M-H+Cl"	33.962126
"546334"	384.693463	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M-H+Cl"	33.962126
"937662"	139.551863	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-H+Cl"	33.962126
"270753"	525.252602	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+Cl"	34.969402
"662080"	770.394202	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+Cl"	34.969402
"1273756"	280.111002	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Cl"	34.969402
"27982"	527.231806	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M-2H+K"	36.948606
"462075"	772.373406	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M-2H+K"	36.948606
"839877"	282.090206	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-2H+K"	36.948606
"1563366"	282.090206	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+K-2H"	36.948606
"947968"	290.139794	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-H+HCOOH"	44.998194
"373842"	535.281401	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+HCOOH-H"	44.998201
"358090"	549.297051	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+Hac-H"	59.013851
"1499994"	304.155451	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Hac-H"	59.013851
"969723"	312.121751	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-H+NaCOOH"	66.980151
"115350"	280.111002	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+2Cl"	69.938804
"556005"	402.681802	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+2Cl"	69.938804
"1025896"	157.540202	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2Cl"	69.938804
"1244382"	324.060485	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Br"	78.918885
"1306092"	326.116472	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Cl+HCOOH"	80.974872
"1320675"	348.098429	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Cl+NaCOOH"	102.956829
"913313"	358.127186	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M-H+CF3COOH"	112.985586
"1296469"	394.103864	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Cl+CF3COOH"	148.962264
"1377912"	210.128924	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H-2H2O"	-35.012676
"1391036"	228.1389	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H-H2O"	-17.0027
"286349"	491.290476	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+H"	1.007276
"680959"	736.432076	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+H"	1.007276
"1352445"	246.148876	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H"	1.007276
"125860"	246.148876	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+2H"	2.014552
"567565"	368.719676	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+2H"	2.014552
"1038922"	123.578076	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2H"	2.014552
"207554"	164.435009333333	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+3H"	3.021828
"648207"	246.148876	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+3H"	3.021828
"1170709"	82.7211426666667	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+3H"	3.021828
"432889"	508.317023	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+NH4"	18.033823
"800694"	753.458623	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+NH4"	18.033823
"1696048"	263.175423	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+NH4"	18.033823
"343960"	254.6621495	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+H+NH4"	19.041099
"736017"	377.2329495	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+H+NH4"	19.041099
"1492027"	132.0913495	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H+NH4"	19.041099
"405603"	513.272418	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+Na"	22.989218
"764410"	758.414018	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+Na"	22.989218
"1614696"	268.130818	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Na"	22.989218
"323639"	257.139847	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+H+Na"	23.996494
"710592"	379.710647	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+H+Na"	23.996494
"1467691"	134.569047	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H+Na"	23.996494
"1057658"	90.0484566666667	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2H+Na"	25.00377
"1272109"	278.175086	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+CH3OH+H"	33.033486
"390676"	529.246358	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+K"	38.963158
"750575"	774.387958	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+K"	38.963158
"1550807"	284.104758	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+K"	38.963158
"307982"	265.126817	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+H+K"	39.970434
"699311"	387.697617	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+H+K"	39.970434
"1458235"	142.556017	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H+K"	39.970434
"248296"	532.317026	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+ACN+H"	42.033826
"1222950"	287.175426	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+ACN+H"	42.033826
"1206345"	144.091351	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+ACN+2H"	43.041102
"201039"	535.25436	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+2Na-H"	44.97116
"641690"	780.39596	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+2Na-H"	44.97116
"1139729"	290.11276	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2Na-H"	44.97116
"179741"	268.130818	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+2Na"	45.978436
"619301"	390.701618	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+2Na"	45.978436
"1119163"	145.560018	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2Na"	45.978436
"1408523"	97.3757706666667	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H+2Na"	46.985712
"1439551"	292.154346	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H+HCOOH"	47.012746
"235411"	273.16384	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+3H2O+2H"	56.04448
"1518772"	306.20639	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+IsoProp+H"	61.06479
"417362"	276.117788	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+Na+K"	61.952376
"777992"	398.688588	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+Na+K"	61.952376
"1673228"	153.546988	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Na+K"	61.952376
"261207"	554.298968	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+ACN+Na"	64.015768
"1234282"	309.157368	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+ACN+Na"	64.015768
"1720981"	309.180893	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+NH4+HCOOH"	64.039293
"1183419"	104.703084666667	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+3Na"	68.967654
"1653312"	314.136288	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Na+HCOOH"	68.994688
"158111"	567.20224	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+2K-H"	76.91904
"600827"	812.34384	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+2K-H"	76.91904
"1087528"	322.06064	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2K-H"	76.91904
"144347"	284.104758	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"2M+2K"	77.926316
"592658"	406.675558	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"3M+2K"	77.926316
"1077171"	161.533958	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2K"	77.926316
"1107100"	324.075192	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2K+H"	78.933592
"1343485"	324.162807	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+DMSO+H"	79.021207
"1015294"	328.201976	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2ACN+H"	83.060376
"1526006"	329.195608	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+IsoProp+Na+H"	84.054008
"995492"	164.604626	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+2ACN+2H"	84.067652
"1592184"	330.110228	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+K+HCOOH"	84.968628
"1420032"	360.141738	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+H+CF3COOH"	115.000138
"1150684"	185.117901	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+3ACN+2H"	125.094202
"1699143"	377.168285	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+NH4+CF3COOH"	132.026685
"1645368"	382.12368	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+Na+CF3COOH"	136.98208
"1583206"	398.09762	"C10848"	"Tropacocaine"	"C15H19NO2"	"245.1416"	"M+K+CF3COOH"	152.95602
"810292"	273.0857	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M"	0
"983827"	254.06731	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-H2O-H"	-19.01839
"66602"	181.049857333333	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M-3H"	-3.021828
"517098"	272.078424	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M-3H"	-3.021828
"894902"	90.0212906666666	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-3H"	-3.021828
"10196"	272.078424	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M-2H"	-2.014552
"450850"	408.621274	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M-2H"	-2.014552
"831933"	135.535574	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-2H"	-2.014552
"93874"	545.164124	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M-H"	-1.007276
"532457"	818.249824	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M-H"	-1.007276
"910258"	272.078424	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-H"	-1.007276
"61602"	562.190671	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M-2H+NH4"	16.019271
"501660"	835.276371	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M-2H+NH4"	16.019271
"879337"	289.104971	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-2H+NH4"	16.019271
"46511"	567.146066	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M-2H+Na"	20.974666
"486103"	840.231766	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M-2H+Na"	20.974666
"862645"	294.060366	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-2H+Na"	20.974666
"1629992"	294.060366	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Na-2H"	20.974666
"107980"	290.066763	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M-H+Cl"	33.962126
"547174"	426.609613	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M-H+Cl"	33.962126
"939958"	153.523913	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-H+Cl"	33.962126
"277423"	581.140802	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+Cl"	34.969402
"662555"	854.226502	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+Cl"	34.969402
"1275690"	308.055102	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Cl"	34.969402
"30158"	583.120006	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M-2H+K"	36.948606
"464372"	856.205706	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M-2H+K"	36.948606
"846548"	310.034306	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-2H+K"	36.948606
"1565663"	310.034306	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+K-2H"	36.948606
"954275"	318.083894	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-H+HCOOH"	44.998194
"374679"	591.169601	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+HCOOH-H"	44.998201
"360754"	605.185251	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+Hac-H"	59.013851
"1506301"	332.099551	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Hac-H"	59.013851
"970926"	340.065851	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-H+NaCOOH"	66.980151
"120930"	308.055102	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+2Cl"	69.938804
"556116"	444.597952	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+2Cl"	69.938804
"1024914"	171.512252	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2Cl"	69.938804
"1244491"	352.004585	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Br"	78.918885
"1306208"	354.060572	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Cl+HCOOH"	80.974872
"1320301"	376.042529	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Cl+NaCOOH"	102.956829
"912206"	386.071286	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M-H+CF3COOH"	112.985586
"1294391"	422.047964	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Cl+CF3COOH"	148.962264
"1375836"	238.073024	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H-2H2O"	-35.012676
"1396252"	256.083	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H-H2O"	-17.0027
"294115"	547.178676	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+H"	1.007276
"689455"	820.264376	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+H"	1.007276
"1363980"	274.092976	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H"	1.007276
"131401"	274.092976	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+2H"	2.014552
"568772"	410.635826	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+2H"	2.014552
"1039030"	137.550126	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2H"	2.014552
"214229"	183.064409333333	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+3H"	3.021828
"654883"	274.092976	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+3H"	3.021828
"1177383"	92.0358426666667	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+3H"	3.021828
"437374"	564.205223	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+NH4"	18.033823
"801169"	837.290923	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+NH4"	18.033823
"1696982"	291.119523	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+NH4"	18.033823
"344440"	282.6062495	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+H+NH4"	19.041099
"737231"	419.1490995	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+H+NH4"	19.041099
"1490687"	146.0633995	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H+NH4"	19.041099
"407745"	569.160618	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+Na"	22.989218
"768533"	842.246318	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+Na"	22.989218
"1616995"	296.074918	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Na"	22.989218
"325937"	285.083947	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+H+Na"	23.996494
"712890"	421.626797	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+H+Na"	23.996494
"1474368"	148.541097	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H+Na"	23.996494
"1068438"	99.3631566666667	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2H+Na"	25.00377
"1271896"	306.119186	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+CH3OH+H"	33.033486
"392703"	585.134558	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+K"	38.963158
"753812"	858.220258	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+K"	38.963158
"1554929"	312.048858	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+K"	38.963158
"311375"	293.070917	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+H+K"	39.970434
"701609"	429.613767	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+H+K"	39.970434
"1456522"	156.528067	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H+K"	39.970434
"241116"	588.205226	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+ACN+H"	42.033826
"1213823"	315.119526	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+ACN+H"	42.033826
"1199894"	158.063401	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+ACN+2H"	43.041102
"194586"	591.14256	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+2Na-H"	44.97116
"639614"	864.22826	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+2Na-H"	44.97116
"1144942"	318.05686	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2Na-H"	44.97116
"184951"	296.074918	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+2Na"	45.978436
"624875"	432.617768	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+2Na"	45.978436
"1121096"	159.532068	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2Na"	45.978436
"1409726"	106.690470666667	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H+2Na"	46.985712
"1444407"	320.098446	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H+HCOOH"	47.012746
"234104"	301.10794	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+3H2O+2H"	56.04448
"1522895"	334.15049	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+IsoProp+H"	61.06479
"421486"	304.061888	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+Na+K"	61.952376
"781022"	440.604738	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+Na+K"	61.952376
"1676622"	167.519038	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Na+K"	61.952376
"262048"	610.187168	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+ACN+Na"	64.015768
"1239496"	337.101468	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+ACN+Na"	64.015768
"1727981"	337.124993	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+NH4+HCOOH"	64.039293
"1186809"	114.017784666667	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+3Na"	68.967654
"1654515"	342.080388	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Na+HCOOH"	68.994688
"164660"	623.09044	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+2K-H"	76.91904
"603124"	896.17614	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+2K-H"	76.91904
"1086548"	350.00474	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2K-H"	76.91904
"144457"	312.048858	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"2M+2K"	77.926316
"590580"	448.591708	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"3M+2K"	77.926316
"1080564"	175.506008	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2K"	77.926316
"1115447"	352.019292	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2K+H"	78.933592
"1343597"	352.106907	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+DMSO+H"	79.021207
"1012126"	356.146076	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2ACN+H"	83.060376
"1534626"	357.139708	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+IsoProp+Na+H"	84.054008
"1001075"	178.576676	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+2ACN+2H"	84.067652
"1592298"	358.054328	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+K+HCOOH"	84.968628
"1417956"	388.085838	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+H+CF3COOH"	115.000138
"1152618"	199.089951	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+3ACN+2H"	125.094202
"1701079"	405.112385	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+NH4+CF3COOH"	132.026685
"1645478"	410.06778	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+Na+CF3COOH"	136.98208
"1583316"	426.04172	"C10849"	"Brugine"	"C12H19NO2S2"	"273.0857"	"M+K+CF3COOH"	152.95602
"810401"	159.0895	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M"	0
"980657"	140.07111	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-H2O-H"	-19.01839
"63917"	105.052390666667	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M-3H"	-3.021828
"507364"	158.082224	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M-3H"	-3.021828
"885168"	52.0225573333333	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-3H"	-3.021828
"1918"	158.082224	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M-2H"	-2.014552
"449867"	237.626974	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M-2H"	-2.014552
"830950"	78.537474	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-2H"	-2.014552
"90941"	317.171724	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M-H"	-1.007276
"531595"	476.261224	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M-H"	-1.007276
"908302"	158.082224	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-H"	-1.007276
"62563"	334.198271	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M-2H+NH4"	16.019271
"502653"	493.287771	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M-2H+NH4"	16.019271
"879819"	175.108771	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-2H+NH4"	16.019271
"47133"	339.153666	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M-2H+Na"	20.974666
"486292"	498.243166	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M-2H+Na"	20.974666
"861662"	180.064166	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-2H+Na"	20.974666
"1630466"	180.064166	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Na-2H"	20.974666
"106996"	176.070563	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M-H+Cl"	33.962126
"546555"	255.615313	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M-H+Cl"	33.962126
"938975"	96.525813	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-H+Cl"	33.962126
"277532"	353.148402	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+Cl"	34.969402
"661572"	512.237902	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+Cl"	34.969402
"1274096"	194.058902	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Cl"	34.969402
"29295"	355.127606	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M-2H+K"	36.948606
"464482"	514.217106	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M-2H+K"	36.948606
"845565"	196.038106	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-2H+K"	36.948606
"1565773"	196.038106	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+K-2H"	36.948606
"953656"	204.087694	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-H+HCOOH"	44.998194
"373696"	363.177201	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+HCOOH-H"	44.998201
"359767"	377.192851	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+Hac-H"	59.013851
"1503495"	218.103351	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Hac-H"	59.013851
"971036"	226.069651	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-H+NaCOOH"	66.980151
"122133"	194.058902	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+2Cl"	69.938804
"556226"	273.603652	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+2Cl"	69.938804
"1023931"	114.514152	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2Cl"	69.938804
"1242778"	238.008385	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Br"	78.918885
"1304737"	240.064372	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Cl+HCOOH"	80.974872
"1320531"	262.046329	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Cl+NaCOOH"	102.956829
"911952"	272.075086	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M-H+CF3COOH"	112.985586
"1293407"	308.051764	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Cl+CF3COOH"	148.962264
"1374853"	124.076824	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H-2H2O"	-35.012676
"1396363"	142.0868	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H-H2O"	-17.0027
"294225"	319.186276	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+H"	1.007276
"690297"	478.275776	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+H"	1.007276
"1363726"	160.096776	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H"	1.007276
"131511"	160.096776	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+2H"	2.014552
"566330"	239.641526	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+2H"	2.014552
"1039504"	80.552026	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2H"	2.014552
"211059"	107.066942666667	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+3H"	3.021828
"653900"	160.096776	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+3H"	3.021828
"1168744"	54.0371093333333	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+3H"	3.021828
"434204"	336.212823	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+NH4"	18.033823
"799942"	495.302323	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+NH4"	18.033823
"1695543"	177.123323	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+NH4"	18.033823
"344183"	168.6100495	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+H+NH4"	19.041099
"737705"	248.1547995	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+H+NH4"	19.041099
"1492576"	89.0652995	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H+NH4"	19.041099
"407650"	341.168218	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+Na"	22.989218
"766820"	500.257718	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+Na"	22.989218
"1617105"	182.078718	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Na"	22.989218
"326047"	171.087747	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+H+Na"	23.996494
"713000"	250.632497	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+H+Na"	23.996494
"1475571"	91.542997	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H+Na"	23.996494
"1068473"	61.3644233333333	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2H+Na"	25.00377
"1272692"	192.122986	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+CH3OH+H"	33.033486
"392653"	357.142158	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+K"	38.963158
"753350"	516.231658	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+K"	38.963158
"1554917"	198.052658	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+K"	38.963158
"311485"	179.074717	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+H+K"	39.970434
"702812"	258.619467	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+H+K"	39.970434
"1457725"	99.529967	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H+K"	39.970434
"239769"	360.212826	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+ACN+H"	42.033826
"1213569"	201.123326	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+ACN+H"	42.033826
"1197453"	101.065301	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+ACN+2H"	43.041102
"195790"	363.15016	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+2Na-H"	44.97116
"638630"	522.23966	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+2Na-H"	44.97116
"1139949"	204.06066	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2Na-H"	44.97116
"184332"	182.078718	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+2Na"	45.978436
"624621"	261.623468	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+2Na"	45.978436
"1119384"	102.533968	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2Na"	45.978436
"1407649"	68.6917373333333	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H+2Na"	46.985712
"1440863"	206.102246	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H+HCOOH"	47.012746
"234212"	187.11174	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+3H2O+2H"	56.04448
"1523002"	220.15429	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+IsoProp+H"	61.06479
"420502"	190.065688	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+Na+K"	61.952376
"782589"	269.610438	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+Na+K"	61.952376
"1678189"	110.520938	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Na+K"	61.952376
"263615"	382.194768	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+ACN+Na"	64.015768
"1239238"	223.105268	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+ACN+Na"	64.015768
"1726668"	223.128793	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+NH4+HCOOH"	64.039293
"1191293"	76.0190513333333	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+3Na"	68.967654
"1655719"	228.084188	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Na+HCOOH"	68.994688
"161490"	395.09804	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+2K-H"	76.91904
"602140"	554.18754	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+2K-H"	76.91904
"1086658"	236.00854	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2K-H"	76.91904
"144567"	198.052658	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"2M+2K"	77.926316
"589597"	277.597408	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"3M+2K"	77.926316
"1080674"	118.507908	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2K"	77.926316
"1115557"	238.023092	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2K+H"	78.933592
"1342614"	238.110707	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+DMSO+H"	79.021207
"1012236"	242.149876	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2ACN+H"	83.060376
"1534736"	243.143508	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+IsoProp+Na+H"	84.054008
"1001185"	121.578576	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+2ACN+2H"	84.067652
"1592408"	244.058128	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+K+HCOOH"	84.968628
"1416972"	274.089638	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+H+CF3COOH"	115.000138
"1150541"	142.091851	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+3ACN+2H"	125.094202
"1701189"	291.116185	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+NH4+CF3COOH"	132.026685
"1645588"	296.07158	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+Na+CF3COOH"	136.98208
"1583426"	312.04552	"C10850"	"Calystegin A3;Calystegine A3"	"C7H13NO3"	"159.0895"	"M+K+CF3COOH"	152.95602
"810511"	175.0845	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M"	0
"980767"	156.06611	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-H2O-H"	-19.01839
"66822"	115.715724	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M-3H"	-3.021828
"507474"	174.077224	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M-3H"	-3.021828
"888557"	57.354224	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-3H"	-3.021828
"4944"	174.077224	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M-2H"	-2.014552
"449977"	261.619474	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M-2H"	-2.014552
"831065"	86.534974	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-2H"	-2.014552
"92149"	349.161724	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M-H"	-1.007276
"531705"	524.246224	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M-H"	-1.007276
"908412"	174.077224	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-H"	-1.007276
"61821"	366.188271	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M-2H+NH4"	16.019271
"502362"	541.272771	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M-2H+NH4"	16.019271
"879781"	191.103771	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-2H+NH4"	16.019271
"47098"	371.143666	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M-2H+Na"	20.974666
"485188"	546.228166	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M-2H+Na"	20.974666
"860679"	196.059166	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-2H+Na"	20.974666
"1631670"	196.059166	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Na-2H"	20.974666
"109173"	192.065563	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M-H+Cl"	33.962126
"547395"	279.607813	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M-H+Cl"	33.962126
"941518"	104.523313	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-H+Cl"	33.962126
"279464"	385.138402	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+Cl"	34.969402
"661682"	560.222902	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+Cl"	34.969402
"1273760"	210.053902	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Cl"	34.969402
"29041"	387.117606	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M-2H+K"	36.948606
"465685"	562.202106	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M-2H+K"	36.948606
"844581"	212.033106	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-2H+K"	36.948606
"1565883"	212.033106	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+K-2H"	36.948606
"955952"	220.082694	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-H+HCOOH"	44.998194
"375628"	395.167201	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+HCOOH-H"	44.998201
"359513"	409.182851	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+Hac-H"	59.013851
"1503605"	234.098351	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Hac-H"	59.013851
"970782"	242.064651	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-H+NaCOOH"	66.980151
"122244"	210.053902	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+2Cl"	69.938804
"559617"	297.596152	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+2Cl"	69.938804
"1025136"	122.511652	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2Cl"	69.938804
"1242525"	254.003385	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Br"	78.918885
"1306066"	256.059372	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Cl+HCOOH"	80.974872
"1320197"	278.041329	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Cl+NaCOOH"	102.956829
"911740"	288.070086	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M-H+CF3COOH"	112.985586
"1294612"	324.046764	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Cl+CF3COOH"	148.962264
"1380432"	140.071824	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H-2H2O"	-35.012676
"1396109"	158.0818	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H-H2O"	-17.0027
"294335"	351.176276	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+H"	1.007276
"689314"	526.260776	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+H"	1.007276
"1363472"	176.091776	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H"	1.007276
"134902"	176.091776	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+2H"	2.014552
"568995"	263.634026	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+2H"	2.014552
"1038522"	88.549526	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2H"	2.014552
"211169"	117.730276	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+3H"	3.021828
"654010"	176.091776	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+3H"	3.021828
"1169583"	59.368776	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+3H"	3.021828
"431034"	368.202823	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+NH4"	18.033823
"796403"	543.287323	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+NH4"	18.033823
"1695291"	193.118323	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+NH4"	18.033823
"343808"	184.6050495	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+H+NH4"	19.041099
"737450"	272.1472995	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+H+NH4"	19.041099
"1491878"	97.0627995	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H+NH4"	19.041099
"405936"	373.158218	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+Na"	22.989218
"766930"	548.242718	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+Na"	22.989218
"1616121"	198.073718	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Na"	22.989218
"326157"	187.082747	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+H+Na"	23.996494
"712017"	274.624997	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+H+Na"	23.996494
"1473129"	99.540497	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H+Na"	23.996494
"1068471"	66.69609	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2H+Na"	25.00377
"1271705"	208.117986	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+CH3OH+H"	33.033486
"392106"	389.132158	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+K"	38.963158
"752367"	564.216658	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+K"	38.963158
"1555379"	214.047658	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+K"	38.963158
"311595"	195.069717	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+H+K"	39.970434
"699642"	282.611967	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+H+K"	39.970434
"1454555"	107.527467	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H+K"	39.970434
"238785"	392.202826	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+ACN+H"	42.033826
"1211857"	217.118326	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+ACN+H"	42.033826
"1197562"	109.062801	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+ACN+2H"	43.041102
"194806"	395.14016	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+2Na-H"	44.97116
"641656"	570.22466	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+2Na-H"	44.97116
"1143339"	220.05566	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2Na-H"	44.97116
"184442"	198.073718	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+2Na"	45.978436
"621813"	285.615968	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+2Na"	45.978436
"1119493"	110.531468	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2Na"	45.978436
"1405573"	74.023404	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H+2Na"	46.985712
"1440245"	222.097246	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H+HCOOH"	47.012746
"233958"	203.10674	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+3H2O+2H"	56.04448
"1522022"	236.14929	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+IsoProp+H"	61.06479
"421706"	206.060688	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+Na+K"	61.952376
"781607"	293.602938	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+Na+K"	61.952376
"1674655"	118.518438	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Na+K"	61.952376
"262997"	414.184768	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+ACN+Na"	64.015768
"1237527"	239.100268	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+ACN+Na"	64.015768
"1726778"	239.123793	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+NH4+HCOOH"	64.039293
"1191768"	81.350718	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+3Na"	68.967654
"1655830"	244.079188	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Na+HCOOH"	68.994688
"165973"	427.08804	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+2K-H"	76.91904
"603345"	602.17254	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+2K-H"	76.91904
"1087132"	252.00354	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2K-H"	76.91904
"146863"	214.047658	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"2M+2K"	77.926316
"589707"	301.589908	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"3M+2K"	77.926316
"1082729"	126.505408	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2K"	77.926316
"1115608"	254.018092	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2K+H"	78.933592
"1344911"	254.105707	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+DMSO+H"	79.021207
"1012346"	258.144876	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2ACN+H"	83.060376
"1535939"	259.138508	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+IsoProp+Na+H"	84.054008
"1001295"	129.576076	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+2ACN+2H"	84.067652
"1593611"	260.053128	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+K+HCOOH"	84.968628
"1417082"	290.084638	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+H+CF3COOH"	115.000138
"1148463"	150.089351	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+3ACN+2H"	125.094202
"1701299"	307.111185	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+NH4+CF3COOH"	132.026685
"1645698"	312.06658	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+Na+CF3COOH"	136.98208
"1583536"	328.04052	"C10851"	"Calystegin B2;Calystegine B2"	"C7H13NO4"	"175.0845"	"M+K+CF3COOH"	152.95602
"812810"	329.1627	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M"	0
"974877"	310.14431	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-H2O-H"	-19.01839
"63445"	218.434524	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M-3H"	-3.021828
"505397"	328.155424	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M-3H"	-3.021828
"885388"	108.713624	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-3H"	-3.021828
"3961"	328.155424	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M-2H"	-2.014552
"451180"	492.736774	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M-2H"	-2.014552
"831175"	163.574074	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-2H"	-2.014552
"92867"	657.318124	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M-H"	-1.007276
"531815"	986.480824	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M-H"	-1.007276
"910349"	328.155424	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-H"	-1.007276
"62666"	674.344671	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M-2H+NH4"	16.019271
"501743"	1003.507371	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M-2H+NH4"	16.019271
"879058"	345.181971	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-2H+NH4"	16.019271
"46231"	679.300066	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M-2H+Na"	20.974666
"485542"	1008.462766	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M-2H+Na"	20.974666
"863594"	350.137366	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-2H+Na"	20.974666
"1631415"	350.137366	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Na-2H"	20.974666
"109041"	346.143763	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M-H+Cl"	33.962126
"548238"	510.725113	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M-H+Cl"	33.962126
"941022"	181.562413	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-H+Cl"	33.962126
"281280"	693.294802	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+Cl"	34.969402
"661429"	1022.457502	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+Cl"	34.969402
"1273341"	364.132102	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Cl"	34.969402
"18579"	695.274006	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M-2H+K"	36.948606
"459233"	1024.436706	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M-2H+K"	36.948606
"840316"	366.111306	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-2H+K"	36.948606
"1565993"	366.111306	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+K-2H"	36.948606
"950595"	374.160894	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-H+HCOOH"	44.998194
"374645"	703.323601	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+HCOOH-H"	44.998201
"356705"	717.339251	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+Hac-H"	59.013851
"1500433"	388.176551	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Hac-H"	59.013851
"972351"	396.142851	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-H+NaCOOH"	66.980151
"120163"	364.132102	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+2Cl"	69.938804
"556446"	528.713452	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+2Cl"	69.938804
"1025246"	199.550752	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2Cl"	69.938804
"1242635"	408.081585	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Br"	78.918885
"1306176"	410.137572	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Cl+HCOOH"	80.974872
"1320754"	432.119529	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Cl+NaCOOH"	102.956829
"911487"	442.148286	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M-H+CF3COOH"	112.985586
"1293627"	478.124964	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Cl+CF3COOH"	148.962264
"1379449"	294.150024	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H-2H2O"	-35.012676
"1395489"	312.16	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H-H2O"	-17.0027
"294445"	659.332676	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+H"	1.007276
"688329"	988.495376	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+H"	1.007276
"1363582"	330.169976	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H"	1.007276
"133919"	330.169976	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+2H"	2.014552
"568010"	494.751326	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+2H"	2.014552
"1039724"	165.588626	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2H"	2.014552
"211279"	220.449076	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+3H"	3.021828
"655213"	330.169976	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+3H"	3.021828
"1170057"	110.728176	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+3H"	3.021828
"426769"	676.359223	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+NH4"	18.033823
"791045"	1005.521923	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+NH4"	18.033823
"1693938"	347.196523	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+NH4"	18.033823
"341120"	338.6832495	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+H+NH4"	19.041099
"736464"	503.2645995	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+H+NH4"	19.041099
"1487364"	174.1018995	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H+NH4"	19.041099
"403856"	681.314618	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+Na"	22.989218
"762665"	1010.477318	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+Na"	22.989218
"1608575"	352.151918	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Na"	22.989218
"316423"	341.160947	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+H+Na"	23.996494
"714313"	505.742297	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+H+Na"	23.996494
"1472875"	176.579597	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H+Na"	23.996494
"1066492"	118.05549	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2H+Na"	25.00377
"1271454"	362.196186	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+CH3OH+H"	33.033486
"390272"	697.288558	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+K"	38.963158
"751385"	1026.451258	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+K"	38.963158
"1546874"	368.125858	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+K"	38.963158
"306237"	349.147917	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+H+K"	39.970434
"693190"	513.729267	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+H+K"	39.970434
"1451383"	184.566567	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H+K"	39.970434
"242171"	700.359226	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+ACN+H"	42.033826
"1213786"	371.196526	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+ACN+H"	42.033826
"1198764"	186.101901	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+ACN+2H"	43.041102
"196009"	703.29656	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+2Na-H"	44.97116
"638848"	1032.45926	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+2Na-H"	44.97116
"1141625"	374.13386	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2Na-H"	44.97116
"184917"	352.151918	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+2Na"	45.978436
"624841"	516.733268	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+2Na"	45.978436
"1117781"	187.570568	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2Na"	45.978436
"1404590"	125.382804	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H+2Na"	46.985712
"1441812"	376.175446	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H+HCOOH"	47.012746
"232969"	357.18494	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+3H2O+2H"	56.04448
"1521035"	390.22749	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+IsoProp+H"	61.06479
"416344"	360.138888	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+Na+K"	61.952376
"777338"	524.720238	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+Na+K"	61.952376
"1672575"	195.557538	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Na+K"	61.952376
"258002"	722.341168	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+ACN+Na"	64.015768
"1235813"	393.178468	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+ACN+Na"	64.015768
"1723607"	393.201993	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+NH4+HCOOH"	64.039293
"1192608"	132.710118	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+3Na"	68.967654
"1661405"	398.157388	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Na+HCOOH"	68.994688
"163895"	735.24444	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+2K-H"	76.91904
"602362"	1064.40714	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+2K-H"	76.91904
"1089064"	406.08174	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2K-H"	76.91904
"145879"	368.125858	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"2M+2K"	77.926316
"588724"	532.707208	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"3M+2K"	77.926316
"1083328"	203.544508	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2K"	77.926316
"1115556"	408.096292	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2K+H"	78.933592
"1346114"	408.183907	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+DMSO+H"	79.021207
"1012456"	412.223076	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2ACN+H"	83.060376
"1536049"	413.216708	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+IsoProp+Na+H"	84.054008
"1003591"	206.615176	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+2ACN+2H"	84.067652
"1592627"	414.131328	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+K+HCOOH"	84.968628
"1417193"	444.162838	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+H+CF3COOH"	115.000138
"1150760"	227.128451	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+3ACN+2H"	125.094202
"1701409"	461.189385	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+NH4+CF3COOH"	132.026685
"1645808"	466.14478	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+Na+CF3COOH"	136.98208
"1573805"	482.11872	"C10852"	"Cinnamoylcocaine"	"C19H23NO4"	"329.1627"	"M+K+CF3COOH"	152.95602
"812920"	261.1365	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M"	0
"977706"	242.11811	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-H2O-H"	-19.01839
"64002"	173.083724	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M-3H"	-3.021828
"505507"	260.129224	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M-3H"	-3.021828
"885498"	86.038224	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-3H"	-3.021828
"5164"	260.129224	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M-2H"	-2.014552
"451292"	390.697474	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M-2H"	-2.014552
"830319"	129.560974	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-2H"	-2.014552
"92978"	521.265724	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M-H"	-1.007276
"532659"	782.402224	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M-H"	-1.007276
"909366"	260.129224	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-H"	-1.007276
"62410"	538.292271	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M-2H+NH4"	16.019271
"500389"	799.428771	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M-2H+NH4"	16.019271
"878191"	277.155771	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-2H+NH4"	16.019271
"43906"	543.247666	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M-2H+Na"	20.974666
"485652"	804.384166	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M-2H+Na"	20.974666
"861632"	282.111166	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-2H+Na"	20.974666
"1630800"	282.111166	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Na-2H"	20.974666
"106962"	278.117563	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M-H+Cl"	33.962126
"546522"	408.685813	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M-H+Cl"	33.962126
"938211"	147.549313	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-H+Cl"	33.962126
"278954"	557.242402	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+Cl"	34.969402
"664819"	818.378902	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+Cl"	34.969402
"1274666"	296.105902	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Cl"	34.969402
"16047"	559.221606	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M-2H+K"	36.948606
"456426"	820.358106	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M-2H+K"	36.948606
"833130"	298.085106	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-2H+K"	36.948606
"1559542"	298.085106	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+K-2H"	36.948606
"944143"	306.134694	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-H+HCOOH"	44.998194
"364546"	567.271201	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+HCOOH-H"	44.998201
"354992"	581.286851	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+Hac-H"	59.013851
"1500543"	320.150351	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Hac-H"	59.013851
"968814"	328.116651	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-H+NaCOOH"	66.980151
"118086"	296.105902	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+2Cl"	69.938804
"551452"	426.674152	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+2Cl"	69.938804
"1021709"	165.537652	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2Cl"	69.938804
"1242378"	340.055385	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Br"	78.918885
"1304824"	342.111372	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Cl+HCOOH"	80.974872
"1319922"	364.093329	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Cl+NaCOOH"	102.956829
"911447"	374.122086	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M-H+CF3COOH"	112.985586
"1291550"	410.098764	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Cl+CF3COOH"	148.962264
"1371901"	226.123824	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H-2H2O"	-35.012676
"1395963"	244.1338	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H-H2O"	-17.0027
"286900"	523.280276	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+H"	1.007276
"688071"	784.416776	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+H"	1.007276
"1363327"	262.143776	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H"	1.007276
"135122"	262.143776	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+2H"	2.014552
"567756"	392.712026	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+2H"	2.014552
"1040199"	131.575526	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2H"	2.014552
"211389"	175.098276	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+3H"	3.021828
"655323"	262.143776	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+3H"	3.021828
"1170167"	88.052776	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+3H"	3.021828
"430158"	540.306823	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+NH4"	18.033823
"793341"	801.443323	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+NH4"	18.033823
"1694047"	279.170323	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+NH4"	18.033823
"339044"	270.6570495	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+H+NH4"	19.041099
"736939"	401.2252995	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+H+NH4"	19.041099
"1487474"	140.0887995	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H+NH4"	19.041099
"403966"	545.262218	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+Na"	22.989218
"762775"	806.398718	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+Na"	22.989218
"1608685"	284.125718	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Na"	22.989218
"318719"	273.134747	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+H+Na"	23.996494
"712237"	403.702997	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+H+Na"	23.996494
"1473714"	142.566497	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H+Na"	23.996494
"1067693"	95.38009	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2H+Na"	25.00377
"1271201"	294.169986	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+CH3OH+H"	33.033486
"391356"	561.236158	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+K"	38.963158
"751859"	822.372658	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+K"	38.963158
"1548077"	300.099658	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+K"	38.963158
"306347"	281.121717	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+H+K"	39.970434
"694393"	411.689967	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+H+K"	39.970434
"1451493"	150.553467	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H+K"	39.970434
"242281"	564.306826	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+ACN+H"	42.033826
"1219363"	303.170326	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+ACN+H"	42.033826
"1197415"	152.088801	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+ACN+2H"	43.041102
"202559"	567.24416	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+2Na-H"	44.97116
"642240"	828.38066	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+2Na-H"	44.97116
"1143194"	306.10766	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2Na-H"	44.97116
"187829"	284.125718	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+2Na"	45.978436
"624951"	414.693968	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+2Na"	45.978436
"1118618"	153.557468	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2Na"	45.978436
"1404698"	102.707404	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H+2Na"	46.985712
"1439006"	308.149246	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H+HCOOH"	47.012746
"233080"	289.15874	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+3H2O+2H"	56.04448
"1515676"	322.20129	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+IsoProp+H"	61.06479
"414268"	292.112688	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+Na+K"	61.952376
"775261"	422.680938	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+Na+K"	61.952376
"1672685"	161.544438	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Na+K"	61.952376
"253738"	586.288768	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+ACN+Na"	64.015768
"1233008"	325.152268	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+ACN+Na"	64.015768
"1719708"	325.175793	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+NH4+HCOOH"	64.039293
"1185061"	110.034718	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+3Na"	68.967654
"1657141"	330.131188	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Na+HCOOH"	68.994688
"165098"	599.19204	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+2K-H"	76.91904
"602471"	860.32854	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+2K-H"	76.91904
"1089174"	338.05554	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2K-H"	76.91904
"144894"	300.099658	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"2M+2K"	77.926316
"585554"	430.667908	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"3M+2K"	77.926316
"1083316"	169.531408	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2K"	77.926316
"1114946"	340.070092	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2K+H"	78.933592
"1345130"	340.157707	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+DMSO+H"	79.021207
"1015846"	344.196876	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2ACN+H"	83.060376
"1533972"	345.190508	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+IsoProp+Na+H"	84.054008
"1003946"	172.602076	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+2ACN+2H"	84.067652
"1593830"	346.105128	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+K+HCOOH"	84.968628
"1420583"	376.136638	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+H+CF3COOH"	115.000138
"1147589"	193.115351	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+3ACN+2H"	125.094202
"1698239"	393.163185	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+NH4+CF3COOH"	132.026685
"1639358"	398.11858	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+Na+CF3COOH"	136.98208
"1571727"	414.09252	"C10853"	"Cochlearine"	"C15H19NO3"	"261.1365"	"M+K+CF3COOH"	152.95602
"814123"	305.1627	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M"	0
"977816"	286.14431	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-H2O-H"	-19.01839
"63870"	202.434524	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M-3H"	-3.021828
"506710"	304.155424	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M-3H"	-3.021828
"883421"	100.713624	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-3H"	-3.021828
"7463"	304.155424	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M-2H"	-2.014552
"455541"	456.736774	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M-2H"	-2.014552
"831037"	151.574074	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-2H"	-2.014552
"93983"	609.318124	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M-H"	-1.007276
"534071"	914.480824	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M-H"	-1.007276
"911252"	304.155424	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-H"	-1.007276
"62643"	626.344671	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M-2H+NH4"	16.019271
"498317"	931.507371	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M-2H+NH4"	16.019271
"876116"	321.181971	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-2H+NH4"	16.019271
"44016"	631.300066	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M-2H+Na"	20.974666
"482482"	936.462766	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M-2H+Na"	20.974666
"861376"	326.137366	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-2H+Na"	20.974666
"1630910"	326.137366	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Na-2H"	20.974666
"107437"	322.143763	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M-H+Cl"	33.962126
"548091"	474.725113	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M-H+Cl"	33.962126
"938321"	169.562413	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-H+Cl"	33.962126
"281251"	645.294802	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+Cl"	34.969402
"664929"	950.457502	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+Cl"	34.969402
"1273683"	340.132102	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Cl"	34.969402
"17208"	647.274006	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M-2H+K"	36.948606
"457630"	952.436706	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M-2H+K"	36.948606
"834331"	342.111306	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-2H+K"	36.948606
"1559652"	342.111306	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+K-2H"	36.948606
"945709"	350.160894	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-H+HCOOH"	44.998194
"365749"	655.323601	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+HCOOH-H"	44.998201
"355102"	669.339251	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+Hac-H"	59.013851
"1500653"	364.176551	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Hac-H"	59.013851
"973706"	372.142851	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-H+NaCOOH"	66.980151
"118196"	340.132102	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+2Cl"	69.938804
"552655"	492.713452	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+2Cl"	69.938804
"1023642"	187.550752	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2Cl"	69.938804
"1244311"	384.081585	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Br"	78.918885
"1305421"	386.137572	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Cl+HCOOH"	80.974872
"1320972"	408.119529	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Cl+NaCOOH"	102.956829
"911706"	418.148286	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M-H+CF3COOH"	112.985586
"1290566"	454.124964	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Cl+CF3COOH"	148.962264
"1369824"	270.150024	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H-2H2O"	-35.012676
"1394980"	288.16	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H-H2O"	-17.0027
"293572"	611.332676	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+H"	1.007276
"691292"	916.495376	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+H"	1.007276
"1364168"	306.169976	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H"	1.007276
"135233"	306.169976	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+2H"	2.014552
"568232"	458.751326	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+2H"	2.014552
"1047967"	153.588626	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2H"	2.014552
"212592"	204.449076	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+3H"	3.021828
"648872"	306.169976	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+3H"	3.021828
"1171371"	102.728176	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+3H"	3.021828
"434645"	628.359223	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+NH4"	18.033823
"795640"	933.521923	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+NH4"	18.033823
"1691970"	323.196523	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+NH4"	18.033823
"338061"	314.6832495	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+H+NH4"	19.041099
"737048"	467.2645995	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+H+NH4"	19.041099
"1487584"	162.1018995	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H+NH4"	19.041099
"404076"	633.314618	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+Na"	22.989218
"762885"	938.477318	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+Na"	22.989218
"1608795"	328.151918	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Na"	22.989218
"318829"	317.160947	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+H+Na"	23.996494
"713440"	469.742297	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+H+Na"	23.996494
"1472729"	164.579597	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H+Na"	23.996494
"1066345"	110.05549	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2H+Na"	25.00377
"1272483"	338.196186	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+CH3OH+H"	33.033486
"392071"	649.288558	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+K"	38.963158
"752697"	954.451258	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+K"	38.963158
"1546001"	344.125858	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+K"	38.963158
"306457"	325.147917	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+H+K"	39.970434
"694867"	477.729267	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+H+K"	39.970434
"1453790"	172.566567	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H+K"	39.970434
"243484"	652.359226	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+ACN+H"	42.033826
"1222389"	347.196526	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+ACN+H"	42.033826
"1197890"	174.101901	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+ACN+2H"	43.041102
"198417"	655.29656	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+2Na-H"	44.97116
"643939"	960.45926	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+2Na-H"	44.97116
"1142939"	350.13386	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2Na-H"	44.97116
"188294"	328.151918	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+2Na"	45.978436
"626154"	480.733268	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+2Na"	45.978436
"1122376"	175.570568	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2Na"	45.978436
"1403715"	117.382804	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H+2Na"	46.985712
"1439116"	352.175446	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H+HCOOH"	47.012746
"232094"	333.18494	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+3H2O+2H"	56.04448
"1515786"	366.22749	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+IsoProp+H"	61.06479
"414378"	336.138888	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+Na+K"	61.952376
"778651"	488.720238	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+Na+K"	61.952376
"1677898"	183.557538	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Na+K"	61.952376
"259315"	674.341168	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+ACN+Na"	64.015768
"1233118"	369.178468	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+ACN+Na"	64.015768
"1720910"	369.201993	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+NH4+HCOOH"	64.039293
"1185171"	124.710118	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+3Na"	68.967654
"1660531"	374.157388	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Na+HCOOH"	68.994688
"164114"	687.24444	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+2K-H"	76.91904
"600393"	992.40714	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+2K-H"	76.91904
"1088191"	382.08174	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2K-H"	76.91904
"146098"	344.125858	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"2M+2K"	77.926316
"587121"	496.707208	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"3M+2K"	77.926316
"1083426"	191.544508	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2K"	77.926316
"1115299"	384.096292	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2K+H"	78.933592
"1345240"	384.183907	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+DMSO+H"	79.021207
"1015956"	388.223076	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2ACN+H"	83.060376
"1536268"	389.216708	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+IsoProp+Na+H"	84.054008
"1004542"	194.615176	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+2ACN+2H"	84.067652
"1599407"	390.131328	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+K+HCOOH"	84.968628
"1423973"	420.162838	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+H+CF3COOH"	115.000138
"1150981"	215.128451	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+3ACN+2H"	125.094202
"1698349"	437.189385	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+NH4+CF3COOH"	132.026685
"1639468"	442.14478	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+Na+CF3COOH"	136.98208
"1572202"	458.11872	"C10854"	"Convolamine"	"C17H23NO4"	"305.1627"	"M+K+CF3COOH"	152.95602
"815327"	307.142	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M"	0
"975739"	288.12361	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-H2O-H"	-19.01839
"67262"	203.754057333333	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M-3H"	-3.021828
"509007"	306.134724	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M-3H"	-3.021828
"885717"	101.373390666667	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-3H"	-3.021828
"7573"	306.134724	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M-2H"	-2.014552
"454067"	459.705724	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M-2H"	-2.014552
"831628"	152.563724	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-2H"	-2.014552
"92225"	613.276724	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M-H"	-1.007276
"534058"	920.418724	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M-H"	-1.007276
"910682"	306.134724	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-H"	-1.007276
"62343"	630.303271	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M-2H+NH4"	16.019271
"502310"	937.445271	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M-2H+NH4"	16.019271
"877321"	323.161271	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-2H+NH4"	16.019271
"43033"	635.258666	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M-2H+Na"	20.974666
"486237"	942.400666	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M-2H+Na"	20.974666
"863187"	328.116666	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-2H+Na"	20.974666
"1633084"	328.116666	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Na-2H"	20.974666
"109007"	324.123063	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M-H+Cl"	33.962126
"548930"	477.694063	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M-H+Cl"	33.962126
"941347"	170.552063	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-H+Cl"	33.962126
"279175"	649.253402	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+Cl"	34.969402
"669409"	956.395402	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+Cl"	34.969402
"1276713"	342.111402	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Cl"	34.969402
"18535"	651.232606	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M-2H+K"	36.948606
"457126"	958.374606	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M-2H+K"	36.948606
"834564"	344.090606	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-2H+K"	36.948606
"1559762"	344.090606	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+K-2H"	36.948606
"947278"	352.140194	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-H+HCOOH"	44.998194
"366223"	659.282201	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+HCOOH-H"	44.998201
"358492"	673.297851	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+Hac-H"	59.013851
"1505138"	366.155851	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Hac-H"	59.013851
"973901"	374.122151	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-H+NaCOOH"	66.980151
"121588"	342.111402	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+2Cl"	69.938804
"556775"	495.682402	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+2Cl"	69.938804
"1022780"	188.540402	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2Cl"	69.938804
"1244057"	386.060885	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Br"	78.918885
"1306259"	388.116872	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Cl+HCOOH"	80.974872
"1322175"	410.098829	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Cl+NaCOOH"	102.956829
"913600"	420.127586	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M-H+CF3COOH"	112.985586
"1290312"	456.104264	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Cl+CF3COOH"	148.962264
"1371027"	272.129324	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H-2H2O"	-35.012676
"1391808"	290.1393	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H-H2O"	-17.0027
"290401"	615.291276	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+H"	1.007276
"682821"	922.433276	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+H"	1.007276
"1356985"	308.149276	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H"	1.007276
"130967"	308.149276	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+2H"	2.014552
"566876"	461.720276	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+2H"	2.014552
"1040421"	154.578276	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2H"	2.014552
"212702"	205.768609333333	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+3H"	3.021828
"653357"	308.149276	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+3H"	3.021828
"1169296"	103.387942666667	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+3H"	3.021828
"432569"	632.317823	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+NH4"	18.033823
"795751"	939.459823	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+NH4"	18.033823
"1690988"	325.175823	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+NH4"	18.033823
"341453"	316.6625495	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+H+NH4"	19.041099
"733875"	470.2335495	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+H+NH4"	19.041099
"1485508"	163.0915495	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H+NH4"	19.041099
"404187"	637.273218	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+Na"	22.989218
"762995"	944.415218	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+Na"	22.989218
"1611093"	330.131218	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Na"	22.989218
"321127"	319.140247	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+H+Na"	23.996494
"713550"	472.711247	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+H+Na"	23.996494
"1469559"	165.569247	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H+Na"	23.996494
"1062805"	110.715256666667	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2H+Na"	25.00377
"1272033"	340.175486	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+CH3OH+H"	33.033486
"392817"	653.247158	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+K"	38.963158
"754095"	960.389158	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+K"	38.963158
"1549393"	346.105158	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+K"	38.963158
"309848"	327.127217	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+H+K"	39.970434
"703361"	480.698217	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+H+K"	39.970434
"1456088"	173.556217	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H+K"	39.970434
"245783"	656.317826	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+ACN+H"	42.033826
"1218493"	349.175826	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+ACN+H"	42.033826
"1202374"	175.091551	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+ACN+2H"	43.041102
"200714"	659.25516	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+2Na-H"	44.97116
"643935"	966.39716	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+2Na-H"	44.97116
"1141227"	352.11316	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2Na-H"	44.97116
"187070"	330.131218	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+2Na"	45.978436
"626265"	483.702218	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+2Na"	45.978436
"1122486"	176.560218	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2Na"	45.978436
"1407107"	118.042570666667	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H+2Na"	46.985712
"1443970"	354.154746	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H+HCOOH"	47.012746
"231114"	335.16424	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+3H2O+2H"	56.04448
"1522459"	368.20679	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+IsoProp+H"	61.06479
"422508"	338.118188	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+Na+K"	61.952376
"784718"	491.689188	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+Na+K"	61.952376
"1678011"	184.547188	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Na+K"	61.952376
"265263"	678.299768	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+ACN+Na"	64.015768
"1238697"	371.157768	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+ACN+Na"	64.015768
"1724305"	371.181293	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+NH4+HCOOH"	64.039293
"1190751"	125.369884666667	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+3Na"	68.967654
"1660642"	376.136688	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Na+HCOOH"	68.994688
"163130"	691.20304	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+2K-H"	76.91904
"598069"	998.34504	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+2K-H"	76.91904
"1089394"	384.06104	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2K-H"	76.91904
"145114"	346.105158	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"2M+2K"	77.926316
"590147"	499.676158	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"3M+2K"	77.926316
"1079035"	192.534158	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2K"	77.926316
"1112244"	386.075592	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2K+H"	78.933592
"1349848"	386.163207	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+DMSO+H"	79.021207
"1016066"	390.202376	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2ACN+H"	83.060376
"1534192"	391.196008	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+IsoProp+Na+H"	84.054008
"1001733"	195.604826	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+2ACN+2H"	84.067652
"1594049"	392.110628	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+K+HCOOH"	84.968628
"1419709"	422.142138	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+H+CF3COOH"	115.000138
"1147809"	216.118101	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+3ACN+2H"	125.094202
"1699552"	439.168685	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+NH4+CF3COOH"	132.026685
"1639578"	444.12408	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+Na+CF3COOH"	136.98208
"1572676"	460.09802	"C10855"	"Convoline"	"C16H21NO5"	"307.142"	"M+K+CF3COOH"	152.95602
"815437"	291.1471	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M"	0
"981316"	272.12871	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-H2O-H"	-19.01839
"65185"	193.090790666667	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M-3H"	-3.021828
"511304"	290.139824	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M-3H"	-3.021828
"884733"	96.0417573333333	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-3H"	-3.021828
"6587"	290.139824	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M-2H"	-2.014552
"450525"	435.713374	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M-2H"	-2.014552
"832191"	144.566274	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-2H"	-2.014552
"93186"	581.286924	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M-H"	-1.007276
"531163"	872.434024	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M-H"	-1.007276
"910425"	290.139824	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-H"	-1.007276
"62812"	598.313471	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M-2H+NH4"	16.019271
"502627"	889.460571	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M-2H+NH4"	16.019271
"878651"	307.166371	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-2H+NH4"	16.019271
"46953"	603.268866	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M-2H+Na"	20.974666
"484888"	894.415966	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M-2H+Na"	20.974666
"862689"	312.121766	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-2H+Na"	20.974666
"1631128"	312.121766	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Na-2H"	20.974666
"108750"	308.128163	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M-H+Cl"	33.962126
"548310"	453.701713	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M-H+Cl"	33.962126
"940731"	162.554613	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-H+Cl"	33.962126
"278192"	617.263602	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+Cl"	34.969402
"665147"	908.410702	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+Cl"	34.969402
"1280836"	326.116502	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Cl"	34.969402
"16707"	619.242806	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M-2H+K"	36.948606
"456387"	910.389906	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M-2H+K"	36.948606
"833459"	328.095706	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-2H+K"	36.948606
"1560965"	328.095706	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+K-2H"	36.948606
"951035"	336.145294	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-H+HCOOH"	44.998194
"371438"	627.292401	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+HCOOH-H"	44.998201
"359334"	641.308051	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+Hac-H"	59.013851
"1507438"	350.160951	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Hac-H"	59.013851
"974200"	358.127251	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-H+NaCOOH"	66.980151
"124979"	326.116502	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+2Cl"	69.938804
"562355"	471.690052	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+2Cl"	69.938804
"1035527"	180.542952	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2Cl"	69.938804
"1255105"	370.065985	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Br"	78.918885
"1309898"	372.121972	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Cl+HCOOH"	80.974872
"1325208"	394.103929	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Cl+NaCOOH"	102.956829
"918453"	404.132686	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M-H+CF3COOH"	112.985586
"1292976"	440.109364	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Cl+CF3COOH"	148.962264
"1368951"	256.134424	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H-2H2O"	-35.012676
"1397390"	274.1444	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H-H2O"	-17.0027
"297804"	583.301476	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+H"	1.007276
"688038"	874.448576	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+H"	1.007276
"1365118"	292.154376	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H"	1.007276
"136182"	292.154376	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+2H"	2.014552
"572826"	437.727926	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+2H"	2.014552
"1048187"	146.580826	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2H"	2.014552
"216095"	195.105342666667	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+3H"	3.021828
"654563"	292.154376	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+3H"	3.021828
"1176333"	98.0563093333333	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+3H"	3.021828
"438512"	600.328023	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+NH4"	18.033823
"797320"	891.475123	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+NH4"	18.033823
"1695109"	309.180923	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+NH4"	18.033823
"344848"	300.6676495	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+H+NH4"	19.041099
"737958"	446.2411995	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+H+NH4"	19.041099
"1491452"	155.0940995	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H+NH4"	19.041099
"407943"	605.283418	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+Na"	22.989218
"767481"	896.430518	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+Na"	22.989218
"1614483"	314.136318	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Na"	22.989218
"320146"	303.145347	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+H+Na"	23.996494
"714755"	448.718897	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+H+Na"	23.996494
"1469669"	157.571797	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H+Na"	23.996494
"1062550"	105.383623333333	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2H+Na"	25.00377
"1272023"	324.180586	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+CH3OH+H"	33.033486
"392541"	621.257358	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+K"	38.963158
"753979"	912.404458	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+K"	38.963158
"1555341"	330.110258	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+K"	38.963158
"314257"	311.132317	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+H+K"	39.970434
"704567"	456.705867	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+H+K"	39.970434
"1454012"	165.558767	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H+K"	39.970434
"242614"	624.328026	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+ACN+H"	42.033826
"1218603"	333.180926	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+ACN+H"	42.033826
"1201391"	167.094101	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+ACN+2H"	43.041102
"200824"	627.26536	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+2Na-H"	44.97116
"644231"	918.41246	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+2Na-H"	44.97116
"1140244"	336.11826	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2Na-H"	44.97116
"186087"	314.136318	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+2Na"	45.978436
"626375"	459.709868	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+2Na"	45.978436
"1121503"	168.562768	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2Na"	45.978436
"1407217"	112.710937333333	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H+2Na"	46.985712
"1444809"	338.159846	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H+HCOOH"	47.012746
"234870"	319.16934	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+3H2O+2H"	56.04448
"1523300"	352.21189	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+IsoProp+H"	61.06479
"422987"	322.123288	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+Na+K"	61.952376
"785442"	467.696838	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+Na+K"	61.952376
"1681263"	176.549738	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Na+K"	61.952376
"267058"	646.309968	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+ACN+Na"	64.015768
"1240874"	355.162868	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+ACN+Na"	64.015768
"1728364"	355.186393	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+NH4+HCOOH"	64.039293
"1193819"	120.038251333333	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+3Na"	68.967654
"1665544"	360.141788	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Na+HCOOH"	68.994688
"163244"	659.21324	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+2K-H"	76.91904
"603897"	950.36034	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+2K-H"	76.91904
"1088774"	368.06614	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2K-H"	76.91904
"144497"	330.110258	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"2M+2K"	77.926316
"591352"	475.683808	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"3M+2K"	77.926316
"1083767"	184.536708	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2K"	77.926316
"1112354"	370.080692	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2K+H"	78.933592
"1351059"	370.168307	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+DMSO+H"	79.021207
"1018363"	374.207476	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2ACN+H"	83.060376
"1535395"	375.201108	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+IsoProp+Na+H"	84.054008
"1001843"	187.607376	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+2ACN+2H"	84.067652
"1597439"	376.115728	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+K+HCOOH"	84.968628
"1420913"	406.147238	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+H+CF3COOH"	115.000138
"1151201"	208.120651	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+3ACN+2H"	125.094202
"1699662"	423.173785	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+NH4+CF3COOH"	132.026685
"1635312"	428.12918	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+Na+CF3COOH"	136.98208
"1572786"	444.10312	"C10856"	"Convolvine"	"C16H21NO4"	"291.1471"	"M+K+CF3COOH"	152.95602
"815182"	219.1259	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M"	0
"974861"	200.10751	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-H2O-H"	-19.01839
"63118"	145.076657333333	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M-3H"	-3.021828
"503054"	218.118624	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M-3H"	-3.021828
"880830"	72.0346906666667	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-3H"	-3.021828
"1222"	218.118624	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M-2H"	-2.014552
"444073"	327.681574	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M-2H"	-2.014552
"828445"	108.555674	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-2H"	-2.014552
"91714"	437.244524	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M-H"	-1.007276
"527990"	656.370424	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M-H"	-1.007276
"906885"	218.118624	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-H"	-1.007276
"61262"	454.271071	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M-2H+NH4"	16.019271
"500949"	673.396971	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M-2H+NH4"	16.019271
"879564"	235.145171	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-2H+NH4"	16.019271
"46900"	459.226466	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M-2H+Na"	20.974666
"485727"	678.352366	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M-2H+Na"	20.974666
"863043"	240.100566	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-2H+Na"	20.974666
"1633183"	240.100566	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Na-2H"	20.974666
"108982"	236.106963	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M-H+Cl"	33.962126
"548420"	345.669913	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M-H+Cl"	33.962126
"941085"	126.544013	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-H+Cl"	33.962126
"276114"	473.221202	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+Cl"	34.969402
"665257"	692.347102	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+Cl"	34.969402
"1275477"	254.095302	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Cl"	34.969402
"16575"	475.200406	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M-2H+K"	36.948606
"456129"	694.326306	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M-2H+K"	36.948606
"834669"	256.074506	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-2H+K"	36.948606
"1561075"	256.074506	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+K-2H"	36.948606
"954062"	264.124094	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-H+HCOOH"	44.998194
"368266"	483.250001	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+HCOOH-H"	44.998201
"359323"	497.265651	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+Hac-H"	59.013851
"1507427"	278.139751	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Hac-H"	59.013851
"974071"	286.106051	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-H+NaCOOH"	66.980151
"124968"	254.095302	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+2Cl"	69.938804
"562464"	363.658252	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+2Cl"	69.938804
"1032357"	144.532352	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2Cl"	69.938804
"1251935"	298.044785	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Br"	78.918885
"1310008"	300.100772	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Cl+HCOOH"	80.974872
"1325318"	322.082729	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Cl+NaCOOH"	102.956829
"916377"	332.111486	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M-H+CF3COOH"	112.985586
"1294179"	368.088164	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Cl+CF3COOH"	148.962264
"1369058"	184.113224	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H-2H2O"	-35.012676
"1396405"	202.1232	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H-H2O"	-17.0027
"292809"	439.259076	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+H"	1.007276
"688512"	658.384976	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+H"	1.007276
"1363039"	220.133176	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H"	1.007276
"134468"	220.133176	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+2H"	2.014552
"578771"	329.696126	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+2H"	2.014552
"1049026"	110.570226	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2H"	2.014552
"216570"	147.091209333333	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+3H"	3.021828
"656495"	220.133176	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+3H"	3.021828
"1176443"	74.0492426666667	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+3H"	3.021828
"438622"	456.285623	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+NH4"	18.033823
"797430"	675.411523	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+NH4"	18.033823
"1692302"	237.159723	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+NH4"	18.033823
"342767"	228.6464495	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+H+NH4"	19.041099
"736286"	338.2093995	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+H+NH4"	19.041099
"1490833"	119.0834995	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H+NH4"	19.041099
"407324"	461.241018	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+Na"	22.989218
"767226"	680.366918	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+Na"	22.989218
"1613136"	242.115118	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Na"	22.989218
"320255"	231.124147	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+H+Na"	23.996494
"714865"	340.687097	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+H+Na"	23.996494
"1470873"	121.561197	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H+Na"	23.996494
"1061568"	81.3765566666667	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2H+Na"	25.00377
"1272420"	252.159386	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+CH3OH+H"	33.033486
"392282"	477.214958	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+K"	38.963158
"753519"	696.340858	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+K"	38.963158
"1555371"	258.089058	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+K"	38.963158
"314046"	239.111117	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+H+K"	39.970434
"705406"	348.674067	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+H+K"	39.970434
"1453029"	129.548167	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H+K"	39.970434
"242725"	480.285626	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+ACN+H"	42.033826
"1217620"	261.159726	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+ACN+H"	42.033826
"1203324"	131.083501	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+ACN+2H"	43.041102
"202393"	483.22296	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+2Na-H"	44.97116
"643984"	702.34886	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+2Na-H"	44.97116
"1141447"	264.09706	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2Na-H"	44.97116
"185469"	242.115118	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+2Na"	45.978436
"626851"	351.678068	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+2Na"	45.978436
"1120516"	132.552168	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2Na"	45.978436
"1405137"	88.7038706666667	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H+2Na"	46.985712
"1444554"	266.138646	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H+HCOOH"	47.012746
"234251"	247.14814	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+3H2O+2H"	56.04448
"1523692"	280.19069	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+IsoProp+H"	61.06479
"424184"	250.102088	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+Na+K"	61.952376
"785469"	359.665038	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+Na+K"	61.952376
"1681254"	140.539138	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Na+K"	61.952376
"267018"	502.267568	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+ACN+Na"	64.015768
"1240904"	283.141668	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+ACN+Na"	64.015768
"1726589"	283.165193	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+NH4+HCOOH"	64.039293
"1193969"	96.0311846666667	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+3Na"	68.967654
"1663051"	288.120588	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Na+HCOOH"	68.994688
"167728"	515.17084	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+2K-H"	76.91904
"605100"	734.29674	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+2K-H"	76.91904
"1089615"	296.04494	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2K-H"	76.91904
"146429"	258.089058	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"2M+2K"	77.926316
"594743"	367.652008	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"3M+2K"	77.926316
"1082904"	148.526108	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2K"	77.926316
"1114651"	298.059492	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2K+H"	78.933592
"1351157"	298.147107	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+DMSO+H"	79.021207
"1018473"	302.186276	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2ACN+H"	83.060376
"1535505"	303.179908	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+IsoProp+Na+H"	84.054008
"998673"	151.596776	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+2ACN+2H"	84.067652
"1596456"	304.094528	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+K+HCOOH"	84.968628
"1421023"	334.126038	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+H+CF3COOH"	115.000138
"1151311"	172.110051	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+3ACN+2H"	125.094202
"1699772"	351.152585	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+NH4+CF3COOH"	132.026685
"1634572"	356.10798	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+Na+CF3COOH"	136.98208
"1572289"	372.08192	"C10857"	"Darlingine"	"C13H17NO2"	"219.1259"	"M+K+CF3COOH"	152.95602
"814562"	185.1052	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M"	0
"976066"	166.08681	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-H2O-H"	-19.01839
"64309"	122.396190666667	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M-3H"	-3.021828
"504962"	184.097924	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M-3H"	-3.021828
"880940"	60.6944573333333	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-3H"	-3.021828
"765"	184.097924	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M-2H"	-2.014552
"443085"	276.650524	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M-2H"	-2.014552
"821983"	91.545324	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-2H"	-2.014552
"85257"	369.203124	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M-H"	-1.007276
"524818"	554.308324	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M-H"	-1.007276
"908817"	184.097924	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-H"	-1.007276
"62350"	386.229671	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M-2H+NH4"	16.019271
"498742"	571.334871	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M-2H+NH4"	16.019271
"876182"	201.124471	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-2H+NH4"	16.019271
"44446"	391.185066	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M-2H+Na"	20.974666
"484982"	576.290266	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M-2H+Na"	20.974666
"861449"	206.079866	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-2H+Na"	20.974666
"1633535"	206.079866	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Na-2H"	20.974666
"106780"	202.086263	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M-H+Cl"	33.962126
"546949"	294.638863	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M-H+Cl"	33.962126
"940708"	109.533663	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-H+Cl"	33.962126
"275131"	405.179802	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+Cl"	34.969402
"666460"	590.285002	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+Cl"	34.969402
"1275587"	220.074602	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Cl"	34.969402
"17293"	407.159006	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M-2H+K"	36.948606
"456362"	592.264206	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M-2H+K"	36.948606
"835508"	222.053806	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-2H+K"	36.948606
"1566653"	222.053806	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+K-2H"	36.948606
"953808"	230.103394	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-H+HCOOH"	44.998194
"368376"	415.208601	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+HCOOH-H"	44.998201
"358826"	429.224251	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+Hac-H"	59.013851
"1507294"	244.119051	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Hac-H"	59.013851
"973907"	252.085351	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-H+NaCOOH"	66.980151
"125565"	220.074602	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+2Cl"	69.938804
"562572"	312.627202	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+2Cl"	69.938804
"1033561"	127.522002	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2Cl"	69.938804
"1249858"	264.024085	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Br"	78.918885
"1307931"	266.080072	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Cl+HCOOH"	80.974872
"1322148"	288.062029	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Cl+NaCOOH"	102.956829
"916487"	298.090786	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M-H+CF3COOH"	112.985586
"1294289"	334.067464	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Cl+CF3COOH"	148.962264
"1367382"	150.092524	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H-2H2O"	-35.012676
"1393963"	168.1025	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H-H2O"	-17.0027
"291825"	371.217676	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+H"	1.007276
"686433"	556.322876	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+H"	1.007276
"1363878"	186.112476	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H"	1.007276
"134578"	186.112476	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+2H"	2.014552
"577420"	278.665076	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+2H"	2.014552
"1047313"	93.559876	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2H"	2.014552
"214857"	124.410742666667	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+3H"	3.021828
"656240"	186.112476	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+3H"	3.021828
"1169626"	62.7090093333333	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+3H"	3.021828
"433992"	388.244223	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+NH4"	18.033823
"797540"	573.349423	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+NH4"	18.033823
"1693141"	203.139023	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+NH4"	18.033823
"342512"	194.6257495	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+H+NH4"	19.041099
"737126"	287.1783495	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+H+NH4"	19.041099
"1490215"	102.0731495	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H+NH4"	19.041099
"404518"	393.199618	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+Na"	22.989218
"766608"	578.304818	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+Na"	22.989218
"1613246"	208.094418	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Na"	22.989218
"321458"	197.103447	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+H+Na"	23.996494
"715704"	289.656047	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+H+Na"	23.996494
"1470255"	104.550847	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H+Na"	23.996494
"1063500"	70.0363233333333	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2H+Na"	25.00377
"1272728"	218.138686	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+CH3OH+H"	33.033486
"392028"	409.173558	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+K"	38.963158
"753630"	594.278758	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+K"	38.963158
"1555441"	224.068358	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+K"	38.963158
"313832"	205.090417	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+H+K"	39.970434
"705516"	297.643017	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+H+K"	39.970434
"1453139"	112.537817	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H+K"	39.970434
"245386"	412.244226	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+ACN+H"	42.033826
"1223198"	227.139026	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+ACN+H"	42.033826
"1203800"	114.073151	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+ACN+2H"	43.041102
"200316"	415.18156	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+2Na-H"	44.97116
"643771"	600.28676	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+2Na-H"	44.97116
"1141557"	230.07636	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2Na-H"	44.97116
"187525"	208.094418	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+2Na"	45.978436
"625867"	300.647018	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+2Na"	45.978436
"1122084"	115.541818	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2Na"	45.978436
"1405247"	77.3636373333333	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H+2Na"	46.985712
"1443572"	232.117946	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H+HCOOH"	47.012746
"233997"	213.12744	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+3H2O+2H"	56.04448
"1523156"	246.16999	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+IsoProp+H"	61.06479
"423986"	216.081388	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+Na+K"	61.952376
"784203"	308.633988	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+Na+K"	61.952376
"1681139"	123.528788	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Na+K"	61.952376
"266968"	434.226168	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+ACN+Na"	64.015768
"1240609"	249.120968	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+ACN+Na"	64.015768
"1726699"	249.144493	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+NH4+HCOOH"	64.039293
"1193634"	84.6909513333333	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+3Na"	68.967654
"1663161"	254.099888	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Na+HCOOH"	68.994688
"170022"	447.12944	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+2K-H"	76.91904
"607396"	632.23464	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+2K-H"	76.91904
"1090819"	262.02424	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2K-H"	76.91904
"147634"	224.068358	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"2M+2K"	77.926316
"589384"	316.620958	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"3M+2K"	77.926316
"1082891"	131.515758	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2K"	77.926316
"1106013"	264.038792	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2K+H"	78.933592
"1351154"	264.126407	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+DMSO+H"	79.021207
"1019555"	268.165576	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2ACN+H"	83.060376
"1535615"	269.159208	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+IsoProp+Na+H"	84.054008
"998783"	134.586426	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+2ACN+2H"	84.067652
"1596566"	270.073828	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+K+HCOOH"	84.968628
"1421133"	300.105338	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+H+CF3COOH"	115.000138
"1150327"	155.099701	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+3ACN+2H"	125.094202
"1697695"	317.131885	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+NH4+CF3COOH"	132.026685
"1634212"	322.08728	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+Na+CF3COOH"	136.98208
"1571467"	338.06122	"C10858"	"Ecgonine"	"C9H15NO3"	"185.1052"	"M+K+CF3COOH"	152.95602
"815766"	289.1678	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M"	0
"978366"	270.14941	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"64783"	191.771257333333	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"509445"	288.160524	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"883966"	95.3819906666667	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"1689"	288.160524	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"442830"	432.744424	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"823186"	143.576624	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"86460"	577.328324	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"528208"	866.496124	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"904916"	288.160524	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"61115"	594.354871	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"499581"	883.522671	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"877629"	305.187071	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"44556"	599.310266	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"484120"	888.478066	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"860830"	310.142466	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1633279"	310.142466	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"106890"	306.148863	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"546450"	450.732763	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"939967"	161.564963	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"275241"	613.305002	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"665477"	902.472802	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1278975"	324.137202	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"17282"	615.284206	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"457815"	904.452006	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"833105"	326.116406	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1564576"	326.116406	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"954646"	334.165994	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"368486"	623.333801	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"356748"	637.349451	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1503395"	348.181651	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"969842"	356.147951	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"119840"	324.137202	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"559402"	468.721102	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1034401"	179.553302	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1251063"	368.086685	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1308042"	370.142672	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1326633"	392.124629	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"920972"	402.153386	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1298410"	438.130064	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1372559"	254.155124	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1396384"	272.1651	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"293029"	579.342876	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"683263"	868.510676	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1362531"	290.175076	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"136512"	290.175076	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"577895"	434.758976	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1048517"	145.591176	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"217884"	193.785809333333	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"654892"	290.175076	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1171923"	97.3965426666667	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"434103"	596.369423	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"795098"	885.537223	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1693981"	307.201623	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"344448"	298.6883495	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"736507"	443.2722495	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1492270"	154.1044495	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"407669"	601.324818	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"767083"	890.492618	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1612627"	312.157018	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"322661"	301.166047	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"716907"	445.749947	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1471824"	156.582147	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1065797"	104.723856666667	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1271506"	322.201286	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"391536"	617.298758	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"753503"	906.466558	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1555310"	328.130958	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"313088"	309.153017	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"706234"	453.736917	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1453249"	164.569117	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"244038"	620.369426	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1221120"	331.201626	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1206098"	166.104451	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"202249"	623.30676	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"643797"	912.47456	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1142031"	334.13896	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"186052"	312.157018	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"627801"	456.740918	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1122924"	167.573118	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1407543"	112.051170666667	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1442223"	336.180546	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"232651"	317.19004	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1521807"	350.23259	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"421493"	320.143988	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"781761"	464.727888	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1680641"	175.560088	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"265704"	642.351368	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1239506"	353.183568	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1725839"	353.207093	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1191192"	119.378484666667	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1663271"	358.162488	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"169039"	655.25464	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"605322"	944.42244	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1090930"	366.08684	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"145922"	328.130958	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"589494"	472.714858	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1082880"	183.547058	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1107216"	368.101392	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1351102"	368.189007	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1019302"	372.228176	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1535726"	373.221808	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"1005539"	186.617726	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1595582"	374.136428	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1424523"	404.167938	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1152624"	207.131001	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1697805"	421.194485	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1634914"	426.14988	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1571537"	442.12382	"C10859"	"Knightinol"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"811502"	289.1678	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M"	0
"974624"	270.14941	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"63677"	191.771257333333	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"507369"	288.160524	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"882254"	95.3819906666667	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"260"	288.160524	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"442211"	432.744424	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"818187"	143.576624	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"85477"	577.328324	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"528318"	866.496124	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"901746"	288.160524	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"58307"	594.354871	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"498962"	883.522671	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"876767"	305.187071	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"43571"	599.310266	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"485323"	888.478066	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"862033"	310.142466	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1631565"	310.142466	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"106999"	306.148863	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"545467"	450.732763	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"942021"	161.564963	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"275351"	613.305002	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"666680"	902.472802	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1277992"	324.137202	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"17513"	615.284206	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"457195"	904.452006	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"834631"	326.116406	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1564686"	326.116406	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"953663"	334.165994	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"368596"	623.333801	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"358680"	637.349451	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1504598"	348.181651	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"971774"	356.147951	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"119950"	324.137202	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"559512"	468.721102	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1031231"	179.553302	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1251173"	368.086685	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1306329"	370.142672	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1324556"	392.124629	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"918895"	402.153386	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1299249"	438.130064	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1372669"	254.155124	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1397466"	272.1651	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"292045"	579.342876	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"684102"	868.510676	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1363005"	290.175076	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"136623"	290.175076	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"577277"	434.758976	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1046807"	145.591176	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"214712"	193.785809333333	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"653544"	290.175076	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1171669"	97.3965426666667	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"437130"	596.369423	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"797396"	885.537223	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1692997"	307.201623	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"344192"	298.6883495	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"736615"	443.2722495	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1491164"	154.1044495	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"405469"	601.324818	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"766827"	890.492618	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1612737"	312.157018	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"321678"	301.166047	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"715194"	445.749947	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1472298"	156.582147	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1065542"	104.723856666667	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1272341"	322.201286	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"392738"	617.298758	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"752630"	906.466558	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1555299"	328.130958	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"313561"	309.153017	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"703549"	453.736917	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1452265"	164.569117	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"245240"	620.369426	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1221228"	331.201626	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1201833"	166.104451	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"199076"	623.30676	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"640459"	912.47456	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1141048"	334.13896	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"187136"	312.157018	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"627547"	456.740918	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1120119"	167.573118	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1406560"	112.051170666667	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1442695"	336.180546	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"233125"	317.19004	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1520458"	350.23259	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"421237"	320.143988	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"784421"	464.727888	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1680751"	175.560088	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"265814"	642.351368	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1237793"	353.183568	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1723759"	353.207093	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1189842"	119.378484666667	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1661194"	358.162488	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"169148"	655.25464	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"604339"	944.42244	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1091040"	366.08684	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"145668"	328.130958	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"589604"	472.714858	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1080678"	183.547058	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1107326"	368.101392	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1350887"	368.189007	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1019896"	372.228176	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1535836"	373.221808	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"1004350"	186.617726	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1593506"	374.136428	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1422446"	404.167938	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1152734"	207.131001	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1699008"	421.194485	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1634456"	426.14988	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1572498"	442.12382	"C10860"	"Littorine"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"813799"	255.1471	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M"	0
"975307"	236.12871	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-H2O-H"	-19.01839
"63909"	169.090790666667	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M-3H"	-3.021828
"506388"	254.139824	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M-3H"	-3.021828
"881272"	84.0417573333333	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-3H"	-3.021828
"941"	254.139824	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M-2H"	-2.014552
"441957"	381.713374	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M-2H"	-2.014552
"817573"	126.566274	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-2H"	-2.014552
"80118"	509.286924	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M-H"	-1.007276
"522957"	764.434024	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M-H"	-1.007276
"900758"	254.139824	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-H"	-1.007276
"52949"	526.313471	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M-2H+NH4"	16.019271
"496883"	781.460571	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M-2H+NH4"	16.019271
"873594"	271.166371	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-2H+NH4"	16.019271
"38213"	531.268866	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M-2H+Na"	20.974666
"486162"	786.415966	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M-2H+Na"	20.974666
"857769"	276.121766	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-2H+Na"	20.974666
"1626208"	276.121766	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Na-2H"	20.974666
"102737"	272.128163	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M-H+Cl"	33.962126
"545578"	399.701713	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M-H+Cl"	33.962126
"935811"	144.554613	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-H+Cl"	33.962126
"281295"	545.263602	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+Cl"	34.969402
"668977"	800.410702	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+Cl"	34.969402
"1277009"	290.116502	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Cl"	34.969402
"17381"	547.242806	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M-2H+K"	36.948606
"456944"	802.389906	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M-2H+K"	36.948606
"842402"	292.095706	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-2H+K"	36.948606
"1569174"	292.095706	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+K-2H"	36.948606
"957420"	300.145294	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-H+HCOOH"	44.998194
"371991"	555.292401	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+HCOOH-H"	44.998201
"359885"	569.308051	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+Hac-H"	59.013851
"1506893"	314.160951	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Hac-H"	59.013851
"971154"	322.127251	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-H+NaCOOH"	66.980151
"123707"	290.116502	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+2Cl"	69.938804
"562904"	417.690052	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+2Cl"	69.938804
"1033891"	162.542952	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2Cl"	69.938804
"1250189"	334.065985	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Br"	78.918885
"1314825"	336.121972	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Cl+HCOOH"	80.974872
"1330134"	358.103929	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Cl+NaCOOH"	102.956829
"923016"	368.132686	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M-H+CF3COOH"	112.985586
"1298630"	404.109364	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Cl+CF3COOH"	148.962264
"1372779"	220.134424	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H-2H2O"	-35.012676
"1395754"	238.1444	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H-H2O"	-17.0027
"295075"	511.301476	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+H"	1.007276
"687497"	766.448576	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+H"	1.007276
"1364939"	256.154376	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H"	1.007276
"137464"	256.154376	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+2H"	2.014552
"576296"	383.727926	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+2H"	2.014552
"1047281"	128.580826	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2H"	2.014552
"219772"	171.105342666667	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+3H"	3.021828
"652925"	256.154376	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+3H"	3.021828
"1173238"	86.0563093333333	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+3H"	3.021828
"433229"	528.328023	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+NH4"	18.033823
"796413"	783.475123	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+NH4"	18.033823
"1693840"	273.180923	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+NH4"	18.033823
"343940"	264.6676495	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+H+NH4"	19.041099
"735632"	392.2411995	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+H+NH4"	19.041099
"1492005"	137.0940995	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H+NH4"	19.041099
"407767"	533.283418	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+Na"	22.989218
"769695"	788.430518	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+Na"	22.989218
"1612849"	278.136318	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Na"	22.989218
"325074"	267.145347	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+H+Na"	23.996494
"720413"	394.718897	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+H+Na"	23.996494
"1473501"	139.571797	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H+Na"	23.996494
"1065652"	93.3836233333333	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2H+Na"	25.00377
"1272748"	288.180586	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+CH3OH+H"	33.033486
"392783"	549.257358	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+K"	38.963158
"754050"	804.404458	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+K"	38.963158
"1555469"	294.110258	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+K"	38.963158
"314206"	275.132317	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+H+K"	39.970434
"701836"	402.705867	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+H+K"	39.970434
"1451283"	147.558767	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H+K"	39.970434
"243163"	552.328026	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+ACN+H"	42.033826
"1218058"	297.180926	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+ACN+H"	42.033826
"1199754"	149.094101	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+ACN+2H"	43.041102
"193719"	555.26536	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+2Na-H"	44.97116
"634737"	810.41246	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+2Na-H"	44.97116
"1142253"	300.11826	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2Na-H"	44.97116
"183357"	278.136318	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+2Na"	45.978436
"622916"	405.709868	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+2Na"	45.978436
"1119867"	150.562768	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2Na"	45.978436
"1402298"	100.710937333333	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H+2Na"	46.985712
"1434415"	302.159846	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H+HCOOH"	47.012746
"230317"	283.16934	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+3H2O+2H"	56.04448
"1522751"	316.21189	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+IsoProp+H"	61.06479
"423296"	286.123288	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+Na+K"	61.952376
"783803"	413.696838	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+Na+K"	61.952376
"1677216"	158.549738	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Na+K"	61.952376
"264101"	574.309968	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+ACN+Na"	64.015768
"1235351"	319.162868	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+ACN+Na"	64.015768
"1724601"	319.186393	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+NH4+HCOOH"	64.039293
"1190320"	108.038251333333	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+3Na"	68.967654
"1665448"	324.141788	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Na+HCOOH"	68.994688
"172545"	587.21324	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+2K-H"	76.91904
"609917"	842.36034	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+2K-H"	76.91904
"1094431"	332.06614	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2K-H"	76.91904
"155622"	294.110258	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"2M+2K"	77.926316
"592996"	421.683808	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"3M+2K"	77.926316
"1083345"	166.536708	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2K"	77.926316
"1114975"	334.080692	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2K+H"	78.933592
"1351114"	334.168307	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+DMSO+H"	79.021207
"1020006"	338.207476	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2ACN+H"	83.060376
"1538866"	339.201108	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+IsoProp+Na+H"	84.054008
"1004581"	169.607376	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+2ACN+2H"	84.067652
"1596899"	340.115728	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+K+HCOOH"	84.968628
"1419275"	370.147238	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+H+CF3COOH"	115.000138
"1151022"	190.120651	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+3ACN+2H"	125.094202
"1702401"	387.173785	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+NH4+CF3COOH"	132.026685
"1635495"	392.12918	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+Na+CF3COOH"	136.98208
"1572608"	408.10312	"C10861"	"Meteloidine"	"C13H21NO4"	"255.1471"	"M+K+CF3COOH"	152.95602
"815002"	275.1521	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M"	0
"981973"	256.13371	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-H2O-H"	-19.01839
"63653"	182.427457333333	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M-3H"	-3.021828
"505405"	274.144824	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M-3H"	-3.021828
"882112"	90.7100906666667	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-3H"	-3.021828
"724"	274.144824	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M-2H"	-2.014552
"440851"	411.720874	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M-2H"	-2.014552
"817923"	136.568774	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-2H"	-2.014552
"79862"	549.296924	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M-H"	-1.007276
"521974"	824.449024	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M-H"	-1.007276
"900867"	274.144824	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-H"	-1.007276
"50872"	566.323471	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M-2H+NH4"	16.019271
"496993"	841.475571	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M-2H+NH4"	16.019271
"874433"	291.171371	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-2H+NH4"	16.019271
"40509"	571.278866	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M-2H+Na"	20.974666
"478977"	846.430966	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M-2H+Na"	20.974666
"853866"	296.126766	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-2H+Na"	20.974666
"1621943"	296.126766	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Na-2H"	20.974666
"101753"	292.133163	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M-H+Cl"	33.962126
"543501"	429.709213	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M-H+Cl"	33.962126
"931548"	154.557113	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-H+Cl"	33.962126
"281648"	585.273602	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+Cl"	34.969402
"669087"	860.425702	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+Cl"	34.969402
"1276026"	310.121502	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Cl"	34.969402
"16189"	587.252806	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M-2H+K"	36.948606
"457054"	862.404906	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M-2H+K"	36.948606
"843605"	312.100706	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-2H+K"	36.948606
"1570377"	312.100706	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+K-2H"	36.948606
"957773"	320.150294	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-H+HCOOH"	44.998194
"375015"	595.302401	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+HCOOH-H"	44.998201
"359510"	609.318051	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+Hac-H"	59.013851
"1507247"	334.165951	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Hac-H"	59.013851
"971263"	342.132251	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-H+NaCOOH"	66.980151
"124545"	310.121502	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+2Cl"	69.938804
"564107"	447.697552	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+2Cl"	69.938804
"1035094"	172.545452	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2Cl"	69.938804
"1250299"	354.070985	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Br"	78.918885
"1313841"	356.126972	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Cl+HCOOH"	80.974872
"1323682"	378.108929	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Cl+NaCOOH"	102.956829
"924583"	388.137686	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M-H+CF3COOH"	112.985586
"1299833"	424.114364	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Cl+CF3COOH"	148.962264
"1370702"	240.139424	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H-2H2O"	-35.012676
"1394407"	258.1494	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H-H2O"	-17.0027
"294821"	551.311476	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+H"	1.007276
"689429"	826.463576	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+H"	1.007276
"1364685"	276.159376	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H"	1.007276
"138667"	276.159376	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+2H"	2.014552
"575678"	413.735426	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+2H"	2.014552
"1046298"	138.583326	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2H"	2.014552
"219679"	184.442009333333	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+3H"	3.021828
"653035"	276.159376	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+3H"	3.021828
"1176996"	92.7246426666667	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+3H"	3.021828
"434432"	568.338023	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+NH4"	18.033823
"797617"	843.490123	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+NH4"	18.033823
"1694680"	293.185923	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+NH4"	18.033823
"342594"	284.6726495	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+H+NH4"	19.041099
"733555"	422.2486995	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+H+NH4"	19.041099
"1487374"	147.0965995	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H+NH4"	19.041099
"402772"	573.293418	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+Na"	22.989218
"762307"	848.445518	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+Na"	22.989218
"1610768"	298.141318	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Na"	22.989218
"324817"	287.150347	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+H+Na"	23.996494
"716514"	424.726397	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+H+Na"	23.996494
"1469239"	149.574297	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H+Na"	23.996494
"1065763"	100.051956666667	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2H+Na"	25.00377
"1272721"	308.185586	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+CH3OH+H"	33.033486
"392715"	589.267358	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+K"	38.963158
"754165"	864.419458	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+K"	38.963158
"1555274"	314.115258	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+K"	38.963158
"314178"	295.137317	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+H+K"	39.970434
"701582"	432.713367	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+H+K"	39.970434
"1452486"	157.561267	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H+K"	39.970434
"245460"	592.338026	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+ACN+H"	42.033826
"1219263"	317.185926	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+ACN+H"	42.033826
"1202052"	159.096601	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+ACN+2H"	43.041102
"194922"	595.27536	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+2Na-H"	44.97116
"635577"	870.42746	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+2Na-H"	44.97116
"1142364"	320.12326	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2Na-H"	44.97116
"182373"	298.141318	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+2Na"	45.978436
"625458"	435.717368	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+2Na"	45.978436
"1121068"	160.565268	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2Na"	45.978436
"1402408"	107.379270666667	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H+2Na"	46.985712
"1437805"	322.164846	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H+HCOOH"	47.012746
"231520"	303.17434	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+3H2O+2H"	56.04448
"1523469"	336.21689	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+IsoProp+H"	61.06479
"424097"	306.128288	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+Na+K"	61.952376
"783549"	443.704338	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+Na+K"	61.952376
"1675867"	168.552238	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Na+K"	61.952376
"263478"	614.319968	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+ACN+Na"	64.015768
"1234000"	339.167868	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+ACN+Na"	64.015768
"1725073"	339.191393	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+NH4+HCOOH"	64.039293
"1184960"	114.706584666667	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+3Na"	68.967654
"1661414"	344.146788	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Na+HCOOH"	68.994688
"164995"	627.22324	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+2K-H"	76.91904
"610027"	902.37534	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+2K-H"	76.91904
"1096728"	352.07114	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2K-H"	76.91904
"156341"	314.115258	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"2M+2K"	77.926316
"593105"	451.691308	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"3M+2K"	77.926316
"1083816"	176.539208	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2K"	77.926316
"1109734"	354.085692	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2K+H"	78.933592
"1339558"	354.173307	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+DMSO+H"	79.021207
"1008086"	358.212476	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2ACN+H"	83.060376
"1539665"	359.206108	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+IsoProp+Na+H"	84.054008
"1002504"	179.609876	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+2ACN+2H"	84.067652
"1597009"	360.120728	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+K+HCOOH"	84.968628
"1420478"	390.152238	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+H+CF3COOH"	115.000138
"1151861"	200.123151	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+3ACN+2H"	125.094202
"1702511"	407.178785	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+NH4+CF3COOH"	132.026685
"1635972"	412.13418	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+Na+CF3COOH"	136.98208
"1574905"	428.10812	"C10862"	"Norhyoscyamine"	"C16H21NO3"	"275.1521"	"M+K+CF3COOH"	152.95602
"815112"	291.1471	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M"	0
"982083"	272.12871	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-H2O-H"	-19.01839
"63518"	193.090790666667	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M-3H"	-3.021828
"505515"	290.139824	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M-3H"	-3.021828
"882222"	96.0417573333333	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-3H"	-3.021828
"1036"	290.139824	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M-2H"	-2.014552
"441809"	435.713374	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M-2H"	-2.014552
"818277"	144.566274	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-2H"	-2.014552
"80699"	581.286924	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M-H"	-1.007276
"520259"	872.434024	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M-H"	-1.007276
"899883"	290.139824	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-H"	-1.007276
"53167"	598.313471	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M-2H+NH4"	16.019271
"491631"	889.460571	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M-2H+NH4"	16.019271
"871625"	307.166371	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-2H+NH4"	16.019271
"39893"	603.268866	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M-2H+Na"	20.974666
"475078"	894.415966	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M-2H+Na"	20.974666
"848874"	312.121766	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-2H+Na"	20.974666
"1619866"	312.121766	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Na-2H"	20.974666
"97490"	308.128163	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M-H+Cl"	33.962126
"540330"	453.701713	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M-H+Cl"	33.962126
"930565"	162.554613	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-H+Cl"	33.962126
"278963"	617.263602	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+Cl"	34.969402
"665917"	908.410702	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+Cl"	34.969402
"1279417"	326.116502	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Cl"	34.969402
"16747"	619.242806	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M-2H+K"	36.948606
"458256"	910.389906	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M-2H+K"	36.948606
"844809"	328.095706	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-2H+K"	36.948606
"1567208"	328.095706	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+K-2H"	36.948606
"952903"	336.145294	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-H+HCOOH"	44.998194
"373303"	627.292401	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+HCOOH-H"	44.998201
"357919"	641.308051	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+Hac-H"	59.013851
"1506385"	350.160951	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Hac-H"	59.013851
"972467"	358.127251	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-H+NaCOOH"	66.980151
"124899"	326.116502	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+2Cl"	69.938804
"563853"	471.690052	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+2Cl"	69.938804
"1034112"	180.542952	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2Cl"	69.938804
"1250409"	370.065985	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Br"	78.918885
"1313951"	372.121972	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Cl+HCOOH"	80.974872
"1325978"	394.103929	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Cl+NaCOOH"	102.956829
"919225"	404.132686	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M-H+CF3COOH"	112.985586
"1299943"	440.109364	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Cl+CF3COOH"	148.962264
"1369719"	256.134424	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H-2H2O"	-35.012676
"1393784"	274.1444	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H-H2O"	-17.0027
"290189"	583.301476	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+H"	1.007276
"687352"	874.448576	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+H"	1.007276
"1363701"	292.154376	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H"	1.007276
"134765"	292.154376	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+2H"	2.014552
"573598"	437.727926	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+2H"	2.014552
"1045676"	146.580826	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2H"	2.014552
"216138"	195.105342666667	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+3H"	3.021828
"652781"	292.154376	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+3H"	3.021828
"1172365"	98.0563093333333	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+3H"	3.021828
"432355"	600.328023	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+NH4"	18.033823
"797363"	891.475123	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+NH4"	18.033823
"1695397"	309.180923	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+NH4"	18.033823
"343432"	300.6676495	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+H+NH4"	19.041099
"732572"	446.2411995	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+H+NH4"	19.041099
"1487484"	155.0940995	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H+NH4"	19.041099
"402882"	605.283418	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+Na"	22.989218
"763145"	896.430518	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+Na"	22.989218
"1609785"	314.136318	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Na"	22.989218
"324197"	303.145347	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+H+Na"	23.996494
"716988"	448.718897	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+H+Na"	23.996494
"1470442"	157.571797	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H+Na"	23.996494
"1066601"	105.383623333333	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2H+Na"	25.00377
"1269749"	324.180586	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+CH3OH+H"	33.033486
"391241"	621.257358	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+K"	38.963158
"752841"	912.404458	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+K"	38.963158
"1550280"	330.110258	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+K"	38.963158
"312801"	311.132317	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+H+K"	39.970434
"700235"	456.705867	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+H+K"	39.970434
"1452595"	165.558767	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H+K"	39.970434
"246300"	624.328026	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+ACN+H"	42.033826
"1223019"	333.180926	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+ACN+H"	42.033826
"1203255"	167.094101	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+ACN+2H"	43.041102
"201231"	627.26536	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+2Na-H"	44.97116
"636780"	918.41246	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+2Na-H"	44.97116
"1142108"	336.11826	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2Na-H"	44.97116
"183941"	314.136318	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+2Na"	45.978436
"622408"	459.709868	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+2Na"	45.978436
"1119356"	168.562768	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2Na"	45.978436
"1402518"	112.710937333333	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H+2Na"	46.985712
"1435729"	338.159846	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H+HCOOH"	47.012746
"228714"	319.16934	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+3H2O+2H"	56.04448
"1520420"	352.21189	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+IsoProp+H"	61.06479
"424166"	322.123288	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+Na+K"	61.952376
"782930"	467.696838	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+Na+K"	61.952376
"1675977"	176.549738	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Na+K"	61.952376
"262495"	646.309968	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+ACN+Na"	64.015768
"1236297"	355.162868	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+ACN+Na"	64.015768
"1725183"	355.186393	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+NH4+HCOOH"	64.039293
"1185071"	120.038251333333	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+3Na"	68.967654
"1663347"	360.141788	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Na+HCOOH"	68.994688
"166199"	659.21324	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+2K-H"	76.91904
"611840"	950.36034	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+2K-H"	76.91904
"1096838"	368.06614	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2K-H"	76.91904
"154750"	330.110258	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"2M+2K"	77.926316
"593215"	475.683808	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"3M+2K"	77.926316
"1083075"	184.536708	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2K"	77.926316
"1108751"	370.080692	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2K+H"	78.933592
"1340759"	370.168307	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+DMSO+H"	79.021207
"1007465"	374.207476	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2ACN+H"	83.060376
"1536900"	375.201108	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+IsoProp+Na+H"	84.054008
"999334"	187.607376	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+2ACN+2H"	84.067652
"1597119"	376.115728	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+K+HCOOH"	84.968628
"1417309"	406.147238	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+H+CF3COOH"	115.000138
"1151971"	208.120651	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+3ACN+2H"	125.094202
"1702621"	423.173785	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+NH4+CF3COOH"	132.026685
"1634168"	428.12918	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+Na+CF3COOH"	136.98208
"1575015"	444.10312	"C10863"	"Phyllalbine"	"C16H21NO4"	"291.1471"	"M+K+CF3COOH"	152.95602
"814129"	141.1154	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M"	0
"982193"	122.09701	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-H2O-H"	-19.01839
"63018"	93.0696573333333	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M-3H"	-3.021828
"505625"	140.108124	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M-3H"	-3.021828
"882331"	46.0311906666667	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-3H"	-3.021828
"1998"	140.108124	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M-2H"	-2.014552
"441555"	210.665824	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M-2H"	-2.014552
"819723"	69.550424	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-2H"	-2.014552
"81902"	281.223524	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M-H"	-1.007276
"522190"	422.338924	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M-H"	-1.007276
"899264"	140.108124	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-H"	-1.007276
"53277"	298.250071	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M-2H+NH4"	16.019271
"492106"	439.365471	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M-2H+NH4"	16.019271
"872828"	157.134671	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-2H+NH4"	16.019271
"41460"	303.205466	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M-2H+Na"	20.974666
"475916"	444.320866	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M-2H+Na"	20.974666
"852626"	162.090066	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-2H+Na"	20.974666
"1621069"	162.090066	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Na-2H"	20.974666
"95776"	158.096463	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M-H+Cl"	33.962126
"535698"	228.654163	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M-H+Cl"	33.962126
"928123"	87.538763	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-H+Cl"	33.962126
"279073"	317.200202	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+Cl"	34.969402
"666027"	458.315602	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+Cl"	34.969402
"1277339"	176.084802	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Cl"	34.969402
"16245"	319.179406	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M-2H+K"	36.948606
"457393"	460.294806	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M-2H+K"	36.948606
"844917"	178.064006	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-2H+K"	36.948606
"1566225"	178.064006	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+K-2H"	36.948606
"955198"	186.113594	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-H+HCOOH"	44.998194
"374507"	327.229001	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+HCOOH-H"	44.998201
"358758"	341.244651	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+Hac-H"	59.013851
"1506495"	200.129251	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Hac-H"	59.013851
"971484"	208.095551	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-H+NaCOOH"	66.980151
"123672"	176.084802	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+2Cl"	69.938804
"562870"	246.642502	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+2Cl"	69.938804
"1034951"	105.527102	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2Cl"	69.938804
"1250519"	220.034285	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Br"	78.918885
"1314061"	222.090272	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Cl+HCOOH"	80.974872
"1324995"	244.072229	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Cl+NaCOOH"	102.956829
"919335"	254.100986	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M-H+CF3COOH"	112.985586
"1300417"	290.077664	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Cl+CF3COOH"	148.962264
"1370193"	106.102724	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H-2H2O"	-35.012676
"1386968"	124.1127	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H-H2O"	-17.0027
"287019"	283.238076	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+H"	1.007276
"683814"	424.353476	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+H"	1.007276
"1356883"	142.122676	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H"	1.007276
"129042"	142.122676	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+2H"	2.014552
"569335"	212.680376	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+2H"	2.014552
"1044692"	71.564976	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2H"	2.014552
"205063"	95.0842093333333	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+3H"	3.021828
"652160"	142.122676	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+3H"	3.021828
"1171379"	48.0457426666667	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+3H"	3.021828
"432465"	300.264623	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+NH4"	18.033823
"796743"	441.380023	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+NH4"	18.033823
"1693072"	159.149223	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+NH4"	18.033823
"344633"	150.6359495	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+H+NH4"	19.041099
"734868"	221.1936495	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+H+NH4"	19.041099
"1487594"	80.0782495	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H+NH4"	19.041099
"404083"	305.220018	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+Na"	22.989218
"763983"	446.335418	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+Na"	22.989218
"1610988"	164.104618	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Na"	22.989218
"323214"	153.113647	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+H+Na"	23.996494
"718919"	223.671347	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+H+Na"	23.996494
"1471645"	82.555947	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H+Na"	23.996494
"1063795"	55.3730566666667	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2H+Na"	25.00377
"1269859"	174.148886	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+CH3OH+H"	33.033486
"391714"	321.193958	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+K"	38.963158
"750885"	462.309358	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+K"	38.963158
"1552940"	180.078558	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+K"	38.963158
"312547"	161.100617	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+H+K"	39.970434
"701073"	231.658317	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+H+K"	39.970434
"1452705"	90.542917	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H+K"	39.970434
"245680"	324.264626	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+ACN+H"	42.033826
"1220575"	183.149226	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+ACN+H"	42.033826
"1204458"	92.078251	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+ACN+2H"	43.041102
"198422"	327.20196	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+2Na-H"	44.97116
"635795"	468.31736	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+2Na-H"	44.97116
"1139300"	186.08656	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2Na-H"	44.97116
"182591"	164.104618	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+2Na"	45.978436
"623245"	234.662318	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+2Na"	45.978436
"1119102"	93.546918	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2Na"	45.978436
"1402628"	62.7003706666667	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H+2Na"	46.985712
"1435839"	188.128146	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H+HCOOH"	47.012746
"230280"	169.13764	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+3H2O+2H"	56.04448
"1520162"	202.18019	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+IsoProp+H"	61.06479
"422038"	172.091588	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+Na+K"	61.952376
"781576"	242.649288	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+Na+K"	61.952376
"1671709"	101.533888	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Na+K"	61.952376
"258228"	346.246568	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+ACN+Na"	64.015768
"1234218"	205.131168	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+ACN+Na"	64.015768
"1723105"	205.154693	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+NH4+HCOOH"	64.039293
"1186273"	70.0276846666667	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+3Na"	68.967654
"1657260"	210.110088	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Na+HCOOH"	68.994688
"163029"	359.14984	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+2K-H"	76.91904
"611949"	500.26524	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+2K-H"	76.91904
"1096948"	218.03444	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2K-H"	76.91904
"155952"	180.078558	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"2M+2K"	77.926316
"593325"	250.636258	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"3M+2K"	77.926316
"1083064"	109.520858	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2K"	77.926316
"1106674"	220.048992	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2K+H"	78.933592
"1338683"	220.136607	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+DMSO+H"	79.021207
"1007575"	224.175776	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2ACN+H"	83.060376
"1537741"	225.169408	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+IsoProp+Na+H"	84.054008
"999444"	112.591526	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+2ACN+2H"	84.067652
"1596136"	226.084028	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+K+HCOOH"	84.968628
"1418512"	256.115538	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+H+CF3COOH"	115.000138
"1149895"	133.104801	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+3ACN+2H"	125.094202
"1702731"	273.142085	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+NH4+CF3COOH"	132.026685
"1634370"	278.09748	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+Na+CF3COOH"	136.98208
"1575125"	294.07142	"C10864"	"Physoperuvine"	"C8H15NO"	"141.1154"	"M+K+CF3COOH"	152.95602
"814240"	153.1154	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M"	0
"983396"	134.09701	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-H2O-H"	-19.01839
"63373"	101.069657333333	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M-3H"	-3.021828
"503299"	152.108124	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M-3H"	-3.021828
"880618"	50.0311906666667	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-3H"	-3.021828
"1619"	152.108124	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M-2H"	-2.014552
"442394"	228.665824	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M-2H"	-2.014552
"819103"	75.550424	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-2H"	-2.014552
"81648"	305.223524	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M-H"	-1.007276
"524485"	458.338924	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M-H"	-1.007276
"902286"	152.108124	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-H"	-1.007276
"55567"	322.250071	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M-2H+NH4"	16.019271
"494399"	475.365471	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M-2H+NH4"	16.019271
"867103"	169.134671	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-2H+NH4"	16.019271
"38650"	327.205466	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M-2H+Na"	20.974666
"480400"	480.320866	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M-2H+Na"	20.974666
"853828"	174.090066	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-2H+Na"	20.974666
"1620085"	174.090066	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Na-2H"	20.974666
"96613"	170.096463	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M-H+Cl"	33.962126
"536173"	246.654163	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M-H+Cl"	33.962126
"930416"	93.538763	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-H+Cl"	33.962126
"276996"	341.200202	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+Cl"	34.969402
"666137"	494.315602	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+Cl"	34.969402
"1277448"	188.084802	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Cl"	34.969402
"16837"	343.179406	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M-2H+K"	36.948606
"460663"	496.294806	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M-2H+K"	36.948606
"842840"	190.064006	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-2H+K"	36.948606
"1565236"	190.064006	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+K-2H"	36.948606
"956036"	198.113594	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-H+HCOOH"	44.998194
"376197"	351.229001	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+HCOOH-H"	44.998201
"359475"	365.244651	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+Hac-H"	59.013851
"1506605"	212.129251	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Hac-H"	59.013851
"970867"	220.095551	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-H+NaCOOH"	66.980151
"123418"	188.084802	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+2Cl"	69.938804
"552408"	264.642502	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+2Cl"	69.938804
"1027040"	111.527102	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2Cl"	69.938804
"1245159"	232.034285	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Br"	78.918885
"1314171"	234.090272	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Cl+HCOOH"	80.974872
"1324374"	256.072229	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Cl+NaCOOH"	102.956829
"919445"	266.100986	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M-H+CF3COOH"	112.985586
"1300527"	302.077664	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Cl+CF3COOH"	148.962264
"1370667"	118.102724	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H-2H2O"	-35.012676
"1386714"	136.1127	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H-H2O"	-17.0027
"287129"	307.238076	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+H"	1.007276
"683924"	460.353476	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+H"	1.007276
"1360273"	154.122676	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H"	1.007276
"133161"	154.122676	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+2H"	2.014552
"570538"	230.680376	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+2H"	2.014552
"1043709"	77.564976	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2H"	2.014552
"206147"	103.084209333333	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+3H"	3.021828
"647895"	154.122676	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+3H"	3.021828
"1169301"	52.0457426666667	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+3H"	3.021828
"432575"	324.264623	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+NH4"	18.033823
"794666"	477.380023	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+NH4"	18.033823
"1689902"	171.149223	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+NH4"	18.033823
"339275"	162.6359495	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+H+NH4"	19.041099
"730600"	239.1936495	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+H+NH4"	19.041099
"1486608"	86.0782495	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H+NH4"	19.041099
"398726"	329.220018	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+Na"	22.989218
"760813"	482.335418	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+Na"	22.989218
"1608908"	176.104618	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Na"	22.989218
"320042"	165.113647	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+H+Na"	23.996494
"719029"	241.671347	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+H+Na"	23.996494
"1473941"	88.555947	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H+Na"	23.996494
"1063905"	59.3730566666667	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2H+Na"	25.00377
"1271063"	186.148886	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+CH3OH+H"	33.033486
"392188"	345.193958	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+K"	38.963158
"752816"	498.309358	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+K"	38.963158
"1554871"	192.078558	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+K"	38.963158
"313749"	173.100617	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+H+K"	39.970434
"701183"	249.658317	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+H+K"	39.970434
"1452815"	96.542917	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H+K"	39.970434
"245790"	348.264626	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+ACN+H"	42.033826
"1217404"	195.149226	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+ACN+H"	42.033826
"1199099"	98.078251	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+ACN+2H"	43.041102
"195250"	351.20196	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+2Na-H"	44.97116
"634811"	504.31736	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+2Na-H"	44.97116
"1141596"	198.08656	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2Na-H"	44.97116
"181607"	176.104618	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+2Na"	45.978436
"625541"	252.662318	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+2Na"	45.978436
"1119210"	99.546918	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2Na"	45.978436
"1403830"	66.7003706666667	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H+2Na"	46.985712
"1434852"	200.128146	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H+HCOOH"	47.012746
"227840"	181.13764	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+3H2O+2H"	56.04448
"1521365"	214.18019	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+IsoProp+H"	61.06479
"422511"	184.091588	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+Na+K"	61.952376
"779862"	260.649288	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+Na+K"	61.952376
"1672913"	107.533888	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Na+K"	61.952376
"256151"	370.246568	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+ACN+Na"	64.015768
"1232142"	217.131168	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+ACN+Na"	64.015768
"1718841"	217.154693	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+NH4+HCOOH"	64.039293
"1184193"	74.0276846666667	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+3Na"	68.967654
"1657370"	222.110088	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Na+HCOOH"	68.994688
"159859"	383.14984	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+2K-H"	76.91904
"611330"	536.26524	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+2K-H"	76.91904
"1093778"	230.03444	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2K-H"	76.91904
"154969"	192.078558	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"2M+2K"	77.926316
"593435"	268.636258	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"3M+2K"	77.926316
"1081229"	115.520858	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2K"	77.926316
"1106784"	232.048992	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2K+H"	78.933592
"1339886"	232.136607	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+DMSO+H"	79.021207
"1007685"	236.175776	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2ACN+H"	83.060376
"1537485"	237.169408	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+IsoProp+Na+H"	84.054008
"999554"	118.591526	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+2ACN+2H"	84.067652
"1597339"	238.084028	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+K+HCOOH"	84.968628
"1416435"	268.115538	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+H+CF3COOH"	115.000138
"1150004"	139.104801	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+3ACN+2H"	125.094202
"1702841"	285.142085	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+NH4+CF3COOH"	132.026685
"1634236"	290.09748	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+Na+CF3COOH"	136.98208
"1575235"	306.07142	"C10865"	"Pseudopelletierine"	"C9H15NO"	"153.1154"	"M+K+CF3COOH"	152.95602
"813256"	155.0946	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M"	0
"982413"	136.07621	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-H2O-H"	-19.01839
"63361"	102.389124	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M-3H"	-3.021828
"503895"	154.087324	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M-3H"	-3.021828
"882552"	50.690924	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-3H"	-3.021828
"879"	154.087324	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M-2H"	-2.014552
"440683"	231.634624	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M-2H"	-2.014552
"817512"	76.540024	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-2H"	-2.014552
"81029"	309.181924	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M-H"	-1.007276
"520225"	464.276524	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M-H"	-1.007276
"900211"	154.087324	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-H"	-1.007276
"52399"	326.208471	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M-2H+NH4"	16.019271
"494145"	481.303071	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M-2H+NH4"	16.019271
"867215"	171.113871	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-2H+NH4"	16.019271
"35845"	331.163866	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M-2H+Na"	20.974666
"480510"	486.258466	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M-2H+Na"	20.974666
"856126"	176.069266	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-2H+Na"	20.974666
"1622016"	176.069266	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Na-2H"	20.974666
"94899"	172.075663	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M-H+Cl"	33.962126
"537741"	249.622963	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M-H+Cl"	33.962126
"929434"	94.528363	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-H+Cl"	33.962126
"270545"	345.158602	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+Cl"	34.969402
"661871"	500.253202	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+Cl"	34.969402
"1278651"	190.064002	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Cl"	34.969402
"16465"	347.137806	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M-2H+K"	36.948606
"464053"	502.232406	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M-2H+K"	36.948606
"836387"	192.043206	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-2H+K"	36.948606
"1561331"	192.043206	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+K-2H"	36.948606
"947025"	200.092794	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-H+HCOOH"	44.998194
"375822"	355.187401	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+HCOOH-H"	44.998201
"360194"	369.203051	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+Hac-H"	59.013851
"1501974"	214.108451	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Hac-H"	59.013851
"971703"	222.074751	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-H+NaCOOH"	66.980151
"120610"	190.064002	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+2Cl"	69.938804
"555070"	267.611302	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+2Cl"	69.938804
"1030066"	112.516702	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2Cl"	69.938804
"1247820"	234.013485	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Br"	78.918885
"1316469"	236.069472	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Cl+HCOOH"	80.974872
"1325579"	258.051429	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Cl+NaCOOH"	102.956829
"925752"	268.080186	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M-H+CF3COOH"	112.985586
"1299909"	304.056864	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Cl+CF3COOH"	148.962264
"1375517"	120.081924	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H-2H2O"	-35.012676
"1393020"	138.0919	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H-H2O"	-17.0027
"287967"	311.196476	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+H"	1.007276
"686950"	466.291076	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+H"	1.007276
"1360019"	156.101876	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H"	1.007276
"132907"	156.101876	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+2H"	2.014552
"571742"	233.649176	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+2H"	2.014552
"1044912"	78.554576	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2H"	2.014552
"208442"	104.403676	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+3H"	3.021828
"649096"	156.101876	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+3H"	3.021828
"1168315"	52.705476	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+3H"	3.021828
"431590"	328.223023	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+NH4"	18.033823
"793682"	483.317623	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+NH4"	18.033823
"1690012"	173.128423	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+NH4"	18.033823
"339385"	164.6151495	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+H+NH4"	19.041099
"730710"	242.1624495	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+H+NH4"	19.041099
"1481250"	87.0678495	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H+NH4"	19.041099
"397740"	333.178418	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+Na"	22.989218
"759827"	488.273018	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+Na"	22.989218
"1605736"	178.083818	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Na"	22.989218
"321242"	167.092847	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+H+Na"	23.996494
"720232"	244.640147	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+H+Na"	23.996494
"1472957"	89.545547	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H+Na"	23.996494
"1061827"	60.03279	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2H+Na"	25.00377
"1268985"	188.128086	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+CH3OH+H"	33.033486
"392178"	349.152358	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+K"	38.963158
"752926"	504.246958	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+K"	38.963158
"1553886"	194.057758	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+K"	38.963158
"314102"	175.079817	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+H+K"	39.970434
"701293"	252.627117	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+H+K"	39.970434
"1449645"	97.532517	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H+K"	39.970434
"243713"	352.223026	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+ACN+H"	42.033826
"1215327"	197.128426	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+ACN+H"	42.033826
"1197021"	99.067851	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+ACN+2H"	43.041102
"194267"	355.16036	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+2Na-H"	44.97116
"632734"	510.25496	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+2Na-H"	44.97116
"1138426"	200.06576	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2Na-H"	44.97116
"178437"	178.083818	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+2Na"	45.978436
"618361"	255.631118	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+2Na"	45.978436
"1118227"	100.536518	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2Na"	45.978436
"1403940"	67.360104	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H+2Na"	46.985712
"1434962"	202.107346	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H+HCOOH"	47.012746
"229044"	183.11684	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+3H2O+2H"	56.04448
"1522569"	216.15939	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+IsoProp+H"	61.06479
"423594"	186.070788	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+Na+K"	61.952376
"783983"	263.618088	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+Na+K"	61.952376
"1677032"	108.523488	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Na+K"	61.952376
"260636"	374.204968	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+ACN+Na"	64.015768
"1234438"	219.110368	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+ACN+Na"	64.015768
"1721137"	219.133893	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+NH4+HCOOH"	64.039293
"1188678"	74.687418	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+3Na"	68.967654
"1657480"	224.089288	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Na+HCOOH"	68.994688
"161063"	387.10824	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+2K-H"	76.91904
"612295"	542.20284	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+2K-H"	76.91904
"1094981"	232.01364	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2K-H"	76.91904
"156051"	194.057758	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"2M+2K"	77.926316
"593545"	271.605058	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"3M+2K"	77.926316
"1081339"	116.510458	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2K"	77.926316
"1106894"	234.028192	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2K+H"	78.933592
"1339267"	234.115807	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+DMSO+H"	79.021207
"1009980"	238.154976	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2ACN+H"	83.060376
"1537595"	239.148608	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+IsoProp+Na+H"	84.054008
"999664"	119.581126	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+2ACN+2H"	84.067652
"1600729"	240.063228	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+K+HCOOH"	84.968628
"1417639"	270.094738	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+H+CF3COOH"	115.000138
"1152304"	140.094401	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+3ACN+2H"	125.094202
"1708419"	287.121285	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+NH4+CF3COOH"	132.026685
"1644068"	292.07668	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+Na+CF3COOH"	136.98208
"1575345"	308.05062	"C10866"	"Scopoline"	"C8H13NO2"	"155.0946"	"M+K+CF3COOH"	152.95602
"811178"	269.1416	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M"	0
"982523"	250.12321	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-H2O-H"	-19.01839
"63355"	178.420457333333	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M-3H"	-3.021828
"507048"	268.134324	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M-3H"	-3.021828
"881569"	88.7065906666667	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-3H"	-3.021828
"4519"	268.134324	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M-2H"	-2.014552
"444078"	402.705124	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M-2H"	-2.014552
"817624"	133.563524	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-2H"	-2.014552
"79153"	537.275924	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M-H"	-1.007276
"518880"	806.417524	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M-H"	-1.007276
"897043"	268.134324	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-H"	-1.007276
"49230"	554.302471	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M-2H+NH4"	16.019271
"489887"	823.444071	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M-2H+NH4"	16.019271
"869877"	285.160871	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-2H+NH4"	16.019271
"37778"	559.257866	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M-2H+Na"	20.974666
"478434"	828.399466	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M-2H+Na"	20.974666
"855145"	290.116266	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-2H+Na"	20.974666
"1623584"	290.116266	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Na-2H"	20.974666
"100113"	286.122663	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M-H+Cl"	33.962126
"536757"	420.693463	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M-H+Cl"	33.962126
"932099"	151.551863	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-H+Cl"	33.962126
"272842"	573.252602	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+Cl"	34.969402
"660088"	842.394202	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+Cl"	34.969402
"1278761"	304.111002	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Cl"	34.969402
"16213"	575.231806	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M-2H+K"	36.948606
"464163"	844.373406	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M-2H+K"	36.948606
"836499"	306.090206	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-2H+K"	36.948606
"1559984"	306.090206	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+K-2H"	36.948606
"945678"	314.139794	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-H+HCOOH"	44.998194
"375569"	583.281401	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+HCOOH-H"	44.998201
"360304"	597.297051	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+Hac-H"	59.013851
"1506460"	328.155451	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Hac-H"	59.013851
"967438"	336.121751	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-H+NaCOOH"	66.980151
"120720"	304.111002	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+2Cl"	69.938804
"556273"	438.681802	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+2Cl"	69.938804
"1031269"	169.540202	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2Cl"	69.938804
"1244284"	348.060485	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Br"	78.918885
"1304666"	350.116472	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Cl+HCOOH"	80.974872
"1329700"	372.098429	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Cl+NaCOOH"	102.956829
"920758"	382.127186	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M-H+CF3COOH"	112.985586
"1296372"	418.103864	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Cl+CF3COOH"	148.962264
"1375627"	234.128924	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H-2H2O"	-35.012676
"1393861"	252.1389	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H-H2O"	-17.0027
"296462"	539.290476	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+H"	1.007276
"684144"	808.432076	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+H"	1.007276
"1363776"	270.148876	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H"	1.007276
"133381"	270.148876	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+2H"	2.014552
"572945"	404.719676	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+2H"	2.014552
"1045022"	135.578076	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2H"	2.014552
"210739"	180.435009333333	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+3H"	3.021828
"653582"	270.148876	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+3H"	3.021828
"1170612"	90.7211426666667	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+3H"	3.021828
"431700"	556.317023	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+NH4"	18.033823
"794880"	825.458623	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+NH4"	18.033823
"1689030"	287.175423	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+NH4"	18.033823
"339494"	278.6621495	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+H+NH4"	19.041099
"730822"	413.2329495	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+H+NH4"	19.041099
"1486830"	144.0913495	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H+NH4"	19.041099
"397853"	561.272418	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+Na"	22.989218
"755686"	830.414018	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+Na"	22.989218
"1604754"	292.130818	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Na"	22.989218
"319166"	281.139847	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+H+Na"	23.996494
"715968"	415.710647	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+H+Na"	23.996494
"1471974"	146.569047	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H+Na"	23.996494
"1060844"	98.0484566666667	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2H+Na"	25.00377
"1272459"	302.175086	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+CH3OH+H"	33.033486
"391681"	577.246358	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+K"	38.963158
"752672"	846.387958	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+K"	38.963158
"1552902"	308.104758	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+K"	38.963158
"308984"	289.126817	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+H+K"	39.970434
"701405"	423.697617	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+H+K"	39.970434
"1449756"	154.556017	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H+K"	39.970434
"243824"	580.317026	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+ACN+H"	42.033826
"1215438"	311.175426	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+ACN+H"	42.033826
"1199320"	156.091351	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+ACN+2H"	43.041102
"192554"	583.25436	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+2Na-H"	44.97116
"635031"	852.39596	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+2Na-H"	44.97116
"1138536"	314.11276	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2Na-H"	44.97116
"179639"	292.130818	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+2Na"	45.978436
"617378"	426.701618	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+2Na"	45.978436
"1116514"	157.560018	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2Na"	45.978436
"1400768"	105.375770666667	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H+2Na"	46.985712
"1431788"	316.154346	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H+HCOOH"	47.012746
"234618"	297.16384	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+3H2O+2H"	56.04448
"1519401"	330.20639	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+IsoProp+H"	61.06479
"421272"	300.117788	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+Na+K"	61.952376
"777895"	434.688588	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+Na+K"	61.952376
"1668760"	165.546988	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Na+K"	61.952376
"255642"	602.298968	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+ACN+Na"	64.015768
"1231993"	333.157368	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+ACN+Na"	64.015768
"1720154"	333.180893	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+NH4+HCOOH"	64.039293
"1186601"	112.703084666667	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+3Na"	68.967654
"1654310"	338.136288	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Na+HCOOH"	68.994688
"161173"	615.20224	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+2K-H"	76.91904
"608389"	884.34384	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+2K-H"	76.91904
"1093994"	346.06064	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2K-H"	76.91904
"157007"	308.104758	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"2M+2K"	77.926316
"593655"	442.675558	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"3M+2K"	77.926316
"1083395"	173.533958	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2K"	77.926316
"1108097"	348.075192	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2K+H"	78.933592
"1340106"	348.162807	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+DMSO+H"	79.021207
"1008634"	352.201976	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2ACN+H"	83.060376
"1538071"	353.195608	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+IsoProp+Na+H"	84.054008
"1003055"	176.604626	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+2ACN+2H"	84.067652
"1597559"	354.110228	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+K+HCOOH"	84.968628
"1418845"	384.141738	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+H+CF3COOH"	115.000138
"1152414"	197.117901	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+3ACN+2H"	125.094202
"1707436"	401.168285	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+NH4+CF3COOH"	132.026685
"1644178"	406.12368	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+Na+CF3COOH"	136.98208
"1575455"	422.09762	"C10867"	"Strobamine;Cyclohepta(6)pyran-58-imin-4(5H)-one 236789-hexahydro-10-methyl-2-phenyl-(2alpha5beta8beta)-()-"	"C17H19NO2"	"269.1416"	"M+K+CF3COOH"	152.95602
"813476"	223.1572	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M"	0
"982633"	204.13881	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-H2O-H"	-19.01839
"76343"	147.764190666667	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M-3H"	-3.021828
"511528"	222.149924	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M-3H"	-3.021828
"882773"	73.3784573333333	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-3H"	-3.021828
"7909"	222.149924	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M-2H"	-2.014552
"445282"	333.728524	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M-2H"	-2.014552
"818827"	110.571324	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-2H"	-2.014552
"80156"	445.307124	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M-H"	-1.007276
"519841"	668.464324	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M-H"	-1.007276
"898613"	222.149924	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-H"	-1.007276
"52623"	462.333671	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M-2H+NH4"	16.019271
"491091"	685.490871	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M-2H+NH4"	16.019271
"867801"	239.176471	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-2H+NH4"	16.019271
"34609"	467.289066	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M-2H+Na"	20.974666
"479638"	690.446266	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M-2H+Na"	20.974666
"853070"	244.131866	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-2H+Na"	20.974666
"1622601"	244.131866	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Na-2H"	20.974666
"98037"	240.138263	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M-H+Cl"	33.962126
"535412"	351.716863	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M-H+Cl"	33.962126
"932209"	128.559663	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-H+Cl"	33.962126
"272952"	481.283802	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+Cl"	34.969402
"660632"	704.441002	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+Cl"	34.969402
"1277778"	258.126602	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Cl"	34.969402
"16929"	483.263006	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M-2H+K"	36.948606
"464273"	706.420206	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M-2H+K"	36.948606
"836609"	260.105806	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-2H+K"	36.948606
"1559001"	260.105806	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+K-2H"	36.948606
"944330"	268.155394	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-H+HCOOH"	44.998194
"364005"	491.312601	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+HCOOH-H"	44.998201
"357735"	505.328251	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+Hac-H"	59.013851
"1505474"	282.171051	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Hac-H"	59.013851
"963538"	290.137351	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-H+NaCOOH"	66.980151
"120830"	258.126602	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+2Cl"	69.938804
"562578"	369.705202	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+2Cl"	69.938804
"1031379"	146.548002	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2Cl"	69.938804
"1243300"	302.076085	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Br"	78.918885
"1305748"	304.132072	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Cl+HCOOH"	80.974872
"1320079"	326.114029	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Cl+NaCOOH"	102.956829
"919775"	336.142786	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M-H+CF3COOH"	112.985586
"1296482"	372.119464	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Cl+CF3COOH"	148.962264
"1368566"	188.144524	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H-2H2O"	-35.012676
"1395427"	206.1545	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H-H2O"	-17.0027
"295843"	447.321676	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+H"	1.007276
"684254"	670.478876	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+H"	1.007276
"1364979"	224.164476	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H"	1.007276
"133491"	224.164476	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+2H"	2.014552
"573055"	335.743076	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+2H"	2.014552
"1045861"	112.585876	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2H"	2.014552
"209757"	149.778742666667	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+3H"	3.021828
"654785"	224.164476	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+3H"	3.021828
"1172911"	75.3930093333333	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+3H"	3.021828
"435089"	464.348223	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+NH4"	18.033823
"794990"	687.505423	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+NH4"	18.033823
"1689140"	241.191023	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+NH4"	18.033823
"338510"	232.6777495	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+H+NH4"	19.041099
"734213"	344.2563495	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+H+NH4"	19.041099
"1486940"	121.0991495	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H+NH4"	19.041099
"400150"	469.303618	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+Na"	22.989218
"757863"	692.460818	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+Na"	22.989218
"1604864"	246.146418	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Na"	22.989218
"318182"	235.155447	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+H+Na"	23.996494
"716077"	346.734047	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+H+Na"	23.996494
"1470990"	123.576847	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H+Na"	23.996494
"1062047"	82.7203233333333	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2H+Na"	25.00377
"1272245"	256.190686	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+CH3OH+H"	33.033486
"392401"	485.277558	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+K"	38.963158
"752782"	708.434758	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+K"	38.963158
"1554835"	262.120358	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+K"	38.963158
"312011"	243.142417	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+H+K"	39.970434
"704431"	354.721017	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+H+K"	39.970434
"1455333"	131.563817	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H+K"	39.970434
"247214"	488.348226	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+ACN+H"	42.033826
"1216641"	265.191026	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+ACN+H"	42.033826
"1200523"	133.099151	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+ACN+2H"	43.041102
"194486"	491.28556	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+2Na-H"	44.97116
"641337"	714.44276	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+2Na-H"	44.97116
"1143019"	268.12836	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2Na-H"	44.97116
"181935"	246.146418	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+2Na"	45.978436
"620404"	357.725018	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+2Na"	45.978436
"1125002"	134.567818	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2Na"	45.978436
"1408892"	90.0476373333333	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H+2Na"	46.985712
"1437363"	270.169946	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H+HCOOH"	47.012746
"234364"	251.17944	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+3H2O+2H"	56.04448
"1521697"	284.22199	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+IsoProp+H"	61.06479
"422111"	254.133388	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+Na+K"	61.952376
"782377"	365.711988	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+Na+K"	61.952376
"1673241"	142.554788	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Na+K"	61.952376
"258667"	510.330168	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+ACN+Na"	64.015768
"1232833"	287.172968	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+ACN+Na"	64.015768
"1719170"	287.196493	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+NH4+HCOOH"	64.039293
"1186711"	97.3749513333333	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+3Na"	68.967654
"1655513"	292.151888	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Na+HCOOH"	68.994688
"159821"	523.23344	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+2K-H"	76.91904
"606312"	746.39064	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+2K-H"	76.91904
"1090824"	300.07624	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2K-H"	76.91904
"143630"	262.120358	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"2M+2K"	77.926316
"593766"	373.698958	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"3M+2K"	77.926316
"1081561"	150.541758	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2K"	77.926316
"1104928"	302.090792	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2K+H"	78.933592
"1341311"	302.178407	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+DMSO+H"	79.021207
"1009839"	306.217576	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2ACN+H"	83.060376
"1538910"	307.211208	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+IsoProp+Na+H"	84.054008
"1003901"	153.612426	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+2ACN+2H"	84.067652
"1597669"	308.125828	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+K+HCOOH"	84.968628
"1420049"	338.157338	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+H+CF3COOH"	115.000138
"1153617"	174.125701	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+3ACN+2H"	125.094202
"1708639"	355.183885	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+NH4+CF3COOH"	132.026685
"1645383"	360.13928	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+Na+CF3COOH"	136.98208
"1582126"	376.11322	"C10868"	"Tigloidine"	"C13H21NO2"	"223.1572"	"M+K+CF3COOH"	152.95602
"811399"	241.1678	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M"	0
"979464"	222.14941	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-H2O-H"	-19.01839
"70986"	159.771257333333	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M-3H"	-3.021828
"503415"	240.160524	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M-3H"	-3.021828
"880930"	79.3819906666667	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-3H"	-3.021828
"1575"	240.160524	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M-2H"	-2.014552
"443201"	360.744424	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M-2H"	-2.014552
"819545"	119.576624	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-2H"	-2.014552
"80269"	481.328324	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M-H"	-1.007276
"524933"	722.496124	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M-H"	-1.007276
"899453"	240.160524	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-H"	-1.007276
"52732"	498.354871	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M-2H+NH4"	16.019271
"491204"	739.522671	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M-2H+NH4"	16.019271
"871195"	257.187071	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-2H+NH4"	16.019271
"42377"	503.310266	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M-2H+Na"	20.974666
"477562"	744.478066	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M-2H+Na"	20.974666
"850017"	262.142466	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-2H+Na"	20.974666
"1622709"	262.142466	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Na-2H"	20.974666
"97052"	258.148863	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M-H+Cl"	33.962126
"534910"	378.732763	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M-H+Cl"	33.962126
"928066"	137.564963	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-H+Cl"	33.962126
"269782"	517.305002	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+Cl"	34.969402
"660297"	758.472802	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+Cl"	34.969402
"1276795"	276.137202	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Cl"	34.969402
"16108"	519.284206	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M-2H+K"	36.948606
"461103"	760.452006	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M-2H+K"	36.948606
"833109"	278.116406	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-2H+K"	36.948606
"1555785"	278.116406	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+K-2H"	36.948606
"942912"	286.165994	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-H+HCOOH"	44.998194
"361682"	527.333801	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+HCOOH-H"	44.998201
"354565"	541.349451	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+Hac-H"	59.013851
"1497199"	300.181651	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Hac-H"	59.013851
"958818"	308.147951	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-H+NaCOOH"	66.980151
"112554"	276.137202	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+2Cl"	69.938804
"557585"	396.721102	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+2Cl"	69.938804
"1023104"	155.553302	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2Cl"	69.938804
"1241381"	320.086685	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Br"	78.918885
"1305492"	322.142672	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Cl+HCOOH"	80.974872
"1320067"	344.124629	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Cl+NaCOOH"	102.956829
"911690"	354.153386	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M-H+CF3COOH"	112.985586
"1289290"	390.130064	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Cl+CF3COOH"	148.962264
"1368669"	206.155124	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H-2H2O"	-35.012676
"1393348"	224.1651	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H-H2O"	-17.0027
"293400"	483.342876	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+H"	1.007276
"684364"	724.510676	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+H"	1.007276
"1366182"	242.175076	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H"	1.007276
"132508"	242.175076	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+2H"	2.014552
"573164"	362.758976	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+2H"	2.014552
"1043056"	121.591176	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2H"	2.014552
"208772"	161.785809333333	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+3H"	3.021828
"653802"	242.175076	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+3H"	3.021828
"1169741"	81.3965426666667	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+3H"	3.021828
"430825"	500.369423	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+NH4"	18.033823
"788538"	741.537223	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+NH4"	18.033823
"1685967"	259.201623	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+NH4"	18.033823
"335338"	250.6883495	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+H+NH4"	19.041099
"727758"	371.2722495	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+H+NH4"	19.041099
"1480484"	130.1044495	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H+NH4"	19.041099
"400254"	505.324818	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+Na"	22.989218
"755787"	746.492618	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+Na"	22.989218
"1606067"	264.157018	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Na"	22.989218
"317199"	253.166047	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+H+Na"	23.996494
"711812"	373.749947	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+H+Na"	23.996494
"1468913"	132.582147	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H+Na"	23.996494
"1054502"	88.7238566666667	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2H+Na"	25.00377
"1271382"	274.201286	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+CH3OH+H"	33.033486
"391781"	521.298758	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+K"	38.963158
"749976"	762.466558	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+K"	38.963158
"1553121"	280.130958	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+K"	38.963158
"312486"	261.153017	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+H+K"	39.970434
"702353"	381.736917	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+H+K"	39.970434
"1452163"	140.569117	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H+K"	39.970434
"241858"	524.369426	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+ACN+H"	42.033826
"1217844"	283.201626	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+ACN+H"	42.033826
"1200633"	142.104451	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+ACN+2H"	43.041102
"194596"	527.30676	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+2Na-H"	44.97116
"637071"	768.47456	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+2Na-H"	44.97116
"1139850"	286.13896	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2Na-H"	44.97116
"180951"	264.157018	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+2Na"	45.978436
"622700"	384.740918	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+2Na"	45.978436
"1126939"	143.573118	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2Na"	45.978436
"1407545"	96.0511706666667	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H+2Na"	46.985712
"1439296"	288.180546	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H+HCOOH"	47.012746
"233017"	269.19004	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+3H2O+2H"	56.04448
"1520348"	302.23259	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+IsoProp+H"	61.06479
"420032"	272.143988	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+Na+K"	61.952376
"778842"	392.727888	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+Na+K"	61.952376
"1674444"	151.560088	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Na+K"	61.952376
"260963"	546.351368	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+ACN+Na"	64.015768
"1234765"	305.183568	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+ACN+Na"	64.015768
"1719642"	305.207093	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+NH4+HCOOH"	64.039293
"1185725"	103.378484666667	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+3Na"	68.967654
"1657805"	310.162488	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Na+HCOOH"	68.994688
"170135"	559.25464	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+2K-H"	76.91904
"599126"	800.42244	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+2K-H"	76.91904
"1087653"	318.08684	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2K-H"	76.91904
"143370"	280.130958	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"2M+2K"	77.926316
"592780"	400.714858	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"3M+2K"	77.926316
"1075106"	159.547058	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2K"	77.926316
"1108316"	320.101392	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2K+H"	78.933592
"1338139"	320.189007	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+DMSO+H"	79.021207
"1008124"	324.228176	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2ACN+H"	83.060376
"1528078"	325.221808	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+IsoProp+Na+H"	84.054008
"1002182"	162.617726	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+2ACN+2H"	84.067652
"1595590"	326.136428	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+K+HCOOH"	84.968628
"1414565"	356.167938	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+H+CF3COOH"	115.000138
"1152633"	183.131001	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+3ACN+2H"	125.094202
"1706560"	373.194485	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+NH4+CF3COOH"	132.026685
"1646586"	378.14988	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+Na+CF3COOH"	136.98208
"1582236"	394.12382	"C10869"	"Valeroidine"	"C13H23NO3"	"241.1678"	"M+K+CF3COOH"	152.95602
"811510"	586.1686	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M"	0
"982854"	567.15021	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-H2O-H"	-19.01839
"73283"	389.771790666667	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M-3H"	-3.021828
"503851"	585.161324	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M-3H"	-3.021828
"881286"	194.382257333333	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-3H"	-3.021828
"1685"	585.161324	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M-2H"	-2.014552
"445498"	878.245624	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M-2H"	-2.014552
"820020"	292.077024	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-2H"	-2.014552
"83294"	1171.329924	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M-H"	-1.007276
"521759"	1757.498524	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M-H"	-1.007276
"897374"	585.161324	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-H"	-1.007276
"50655"	1188.356471	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M-2H+NH4"	16.019271
"492406"	1774.525071	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M-2H+NH4"	16.019271
"871304"	602.187871	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-2H+NH4"	16.019271
"41393"	1193.311866	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M-2H+Na"	20.974666
"478766"	1779.480466	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M-2H+Na"	20.974666
"852193"	607.143266	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-2H+Na"	20.974666
"1623912"	607.143266	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Na-2H"	20.974666
"96069"	603.149663	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M-H+Cl"	33.962126
"535995"	896.233963	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M-H+Cl"	33.962126
"929149"	310.065363	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-H+Cl"	33.962126
"268797"	1207.306602	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+Cl"	34.969402
"660606"	1793.475202	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+Cl"	34.969402
"1276905"	621.138002	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Cl"	34.969402
"16786"	1209.285806	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M-2H+K"	36.948606
"456104"	1795.454406	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M-2H+K"	36.948606
"833910"	623.117206	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-2H+K"	36.948606
"1555789"	623.117206	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+K-2H"	36.948606
"944187"	631.166794	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-H+HCOOH"	44.998194
"362399"	1217.335401	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+HCOOH-H"	44.998201
"354675"	1231.351051	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+Hac-H"	59.013851
"1497309"	645.182451	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Hac-H"	59.013851
"960230"	653.148751	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-H+NaCOOH"	66.980151
"114487"	621.138002	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+2Cl"	69.938804
"557331"	914.222302	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+2Cl"	69.938804
"1022119"	328.053702	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2Cl"	69.938804
"1241816"	665.087485	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Br"	78.918885
"1305966"	667.143472	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Cl+HCOOH"	80.974872
"1320220"	689.125429	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Cl+NaCOOH"	102.956829
"911843"	699.154186	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M-H+CF3COOH"	112.985586
"1293049"	735.130864	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Cl+CF3COOH"	148.962264
"1369023"	551.155924	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H-2H2O"	-35.012676
"1390178"	569.1659	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H-H2O"	-17.0027
"293874"	1173.344476	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+H"	1.007276
"681193"	1759.513076	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+H"	1.007276
"1365927"	587.175876	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H"	1.007276
"132618"	587.175876	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+2H"	2.014552
"573274"	880.260176	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+2H"	2.014552
"1043166"	294.091576	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2H"	2.014552
"208882"	391.786342666667	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+3H"	3.021828
"655005"	587.175876	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+3H"	3.021828
"1172037"	196.396809333333	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+3H"	3.021828
"433121"	1190.371023	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+NH4"	18.033823
"788648"	1776.539623	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+NH4"	18.033823
"1685346"	604.202423	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+NH4"	18.033823
"334354"	595.6891495	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+H+NH4"	19.041099
"727868"	888.7734495	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+H+NH4"	19.041099
"1481686"	302.6048495	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H+NH4"	19.041099
"398177"	1195.326418	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+Na"	22.989218
"758083"	1781.495018	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+Na"	22.989218
"1605084"	609.157818	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Na"	22.989218
"317309"	598.166847	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+H+Na"	23.996494
"709369"	891.251147	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+H+Na"	23.996494
"1464649"	305.082547	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H+Na"	23.996494
"1054612"	203.724123333333	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2H+Na"	25.00377
"1271977"	619.202086	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+CH3OH+H"	33.033486
"389090"	1211.300358	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+K"	38.963158
"748993"	1797.468958	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+K"	38.963158
"1549952"	625.131758	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+K"	38.963158
"304938"	606.153817	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+H+K"	39.970434
"702828"	899.238117	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+H+K"	39.970434
"1451179"	313.069517	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H+K"	39.970434
"243059"	1214.371026	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+ACN+H"	42.033826
"1217954"	628.202426	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+ACN+H"	42.033826
"1200743"	314.604851	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+ACN+2H"	43.041102
"195799"	1217.30836	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+2Na-H"	44.97116
"637545"	1803.47696	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+2Na-H"	44.97116
"1139957"	631.13976	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2Na-H"	44.97116
"183249"	609.157818	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+2Na"	45.978436
"619895"	902.242118	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+2Na"	45.978436
"1123034"	316.073518	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2Na"	45.978436
"1404371"	211.051437333333	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H+2Na"	46.985712
"1439770"	633.181346	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H+HCOOH"	47.012746
"230569"	614.19084	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+3H2O+2H"	56.04448
"1519729"	647.23339	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+IsoProp+H"	61.06479
"419778"	617.144788	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+Na+K"	61.952376
"778953"	910.229088	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+Na+K"	61.952376
"1672004"	324.060488	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Na+K"	61.952376
"257794"	1236.352968	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+ACN+Na"	64.015768
"1234147"	650.184368	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+ACN+Na"	64.015768
"1719388"	650.207893	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+NH4+HCOOH"	64.039293
"1188023"	218.378751333333	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+3Na"	68.967654
"1656822"	655.163288	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Na+HCOOH"	68.994688
"169881"	1249.25624	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+2K-H"	76.91904
"600328"	1835.42484	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+2K-H"	76.91904
"1091043"	663.08764	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2K-H"	76.91904
"143483"	625.131758	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"2M+2K"	77.926316
"592890"	918.216058	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"3M+2K"	77.926316
"1075216"	332.047458	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2K"	77.926316
"1108426"	665.102192	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2K+H"	78.933592
"1338249"	665.189807	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+DMSO+H"	79.021207
"1008963"	669.228976	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2ACN+H"	83.060376
"1529281"	670.222608	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+IsoProp+Na+H"	84.054008
"1004236"	335.118126	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+2ACN+2H"	84.067652
"1596793"	671.137228	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+K+HCOOH"	84.968628
"1415892"	701.168738	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+H+CF3COOH"	115.000138
"1152743"	355.631401	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+3ACN+2H"	125.094202
"1708856"	718.195285	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+NH4+CF3COOH"	132.026685
"1647789"	723.15068	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+Na+CF3COOH"	136.98208
"1582346"	739.12462	"C10870"	"Phyllanthostatin A"	"C29H30O13"	"586.1686"	"M+K+CF3COOH"	152.95602
"812713"	414.1315	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M"	0
"982964"	395.11311	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-H2O-H"	-19.01839
"72299"	275.080390666667	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M-3H"	-3.021828
"504082"	413.124224	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M-3H"	-3.021828
"880126"	137.036557333333	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-3H"	-3.021828
"1674"	413.124224	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M-2H"	-2.014552
"444514"	620.189974	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M-2H"	-2.014552
"821223"	206.058474	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-2H"	-2.014552
"84497"	827.255724	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M-H"	-1.007276
"522963"	1241.387224	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M-H"	-1.007276
"899670"	413.124224	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-H"	-1.007276
"51858"	844.282271	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M-2H+NH4"	16.019271
"490694"	1258.413771	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M-2H+NH4"	16.019271
"870321"	430.150771	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-2H+NH4"	16.019271
"41503"	849.237666	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M-2H+Na"	20.974666
"478876"	1263.369166	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M-2H+Na"	20.974666
"849146"	435.106166	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-2H+Na"	20.974666
"1620013"	435.106166	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Na-2H"	20.974666
"95207"	431.112563	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M-H+Cl"	33.962126
"535741"	638.178313	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M-H+Cl"	33.962126
"929259"	224.046813	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-H+Cl"	33.962126
"268419"	863.232402	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+Cl"	34.969402
"660352"	1277.363902	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+Cl"	34.969402
"1273366"	449.100902	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Cl"	34.969402
"16000"	865.211606	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M-2H+K"	36.948606
"456210"	1279.343106	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M-2H+K"	36.948606
"833002"	451.080106	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-2H+K"	36.948606
"1555838"	451.080106	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+K-2H"	36.948606
"945390"	459.129694	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-H+HCOOH"	44.998194
"361522"	873.261201	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+HCOOH-H"	44.998201
"354785"	887.276851	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+Hac-H"	59.013851
"1497419"	473.145351	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Hac-H"	59.013851
"959126"	481.111651	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-H+NaCOOH"	66.980151
"111679"	449.100902	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+2Cl"	69.938804
"556345"	656.166652	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+2Cl"	69.938804
"1022958"	242.035152	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2Cl"	69.938804
"1243264"	493.050385	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Br"	78.918885
"1305712"	495.106372	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Cl+HCOOH"	80.974872
"1322115"	517.088329	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Cl+NaCOOH"	102.956829
"914263"	527.117086	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M-H+CF3COOH"	112.985586
"1293523"	563.093764	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Cl+CF3COOH"	148.962264
"1369864"	379.118824	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H-2H2O"	-35.012676
"1388101"	397.1288	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H-H2O"	-17.0027
"286693"	829.270276	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+H"	1.007276
"684218"	1243.401776	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+H"	1.007276
"1353642"	415.138776	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H"	1.007276
"127620"	415.138776	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+2H"	2.014552
"566814"	622.204526	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+2H"	2.014552
"1039623"	208.073026	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2H"	2.014552
"210086"	277.094942666667	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+3H"	3.021828
"644663"	415.138776	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+3H"	3.021828
"1162775"	139.051109333333	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+3H"	3.021828
"424284"	846.296823	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+NH4"	18.033823
"786570"	1260.428323	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+NH4"	18.033823
"1683991"	432.165323	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+NH4"	18.033823
"334459"	423.6520495	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+H+NH4"	19.041099
"723233"	630.7177995	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+H+NH4"	19.041099
"1481794"	216.5862995	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H+NH4"	19.041099
"398288"	851.252218	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+Na"	22.989218
"758188"	1265.383718	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+Na"	22.989218
"1603732"	437.120718	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Na"	22.989218
"318512"	426.129747	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+H+Na"	23.996494
"713120"	633.195497	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+H+Na"	23.996494
"1462195"	219.063997	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H+Na"	23.996494
"1054717"	146.378423333333	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2H+Na"	25.00377
"1267341"	447.164986	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+CH3OH+H"	33.033486
"385915"	867.226158	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+K"	38.963158
"750192"	1281.357658	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+K"	38.963158
"1550058"	453.094658	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+K"	38.963158
"303955"	434.116717	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+H+K"	39.970434
"700750"	641.182467	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+H+K"	39.970434
"1450198"	227.050967	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H+K"	39.970434
"244263"	870.296826	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+ACN+H"	42.033826
"1218064"	456.165326	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+ACN+H"	42.033826
"1203038"	228.586301	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+ACN+2H"	43.041102
"193722"	873.23416	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+2Na-H"	44.97116
"642885"	1287.36566	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+2Na-H"	44.97116
"1142256"	459.10266	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2Na-H"	44.97116
"182265"	437.120718	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+2Na"	45.978436
"622921"	644.186468	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+2Na"	45.978436
"1126061"	230.054968	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2Na"	45.978436
"1404482"	153.705737333333	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H+2Na"	46.985712
"1434413"	461.144246	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H+HCOOH"	47.012746
"231772"	442.15374	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+3H2O+2H"	56.04448
"1520931"	475.19629	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+IsoProp+H"	61.06479
"419159"	445.107688	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+Na+K"	61.952376
"779427"	652.173438	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+Na+K"	61.952376
"1673570"	238.041938	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Na+K"	61.952376
"260089"	892.278768	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+ACN+Na"	64.015768
"1234984"	478.147268	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+ACN+Na"	64.015768
"1719861"	478.170793	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+NH4+HCOOH"	64.039293
"1187769"	161.033051333333	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+3Na"	68.967654
"1660211"	483.126188	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Na+HCOOH"	68.994688
"167075"	905.18204	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+2K-H"	76.91904
"602626"	1319.31354	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+2K-H"	76.91904
"1091153"	491.05054	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2K-H"	76.91904
"143957"	453.094658	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"2M+2K"	77.926316
"586439"	660.160408	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"3M+2K"	77.926316
"1075326"	246.028908	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2K"	77.926316
"1108536"	493.065092	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2K+H"	78.933592
"1337991"	493.152707	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+DMSO+H"	79.021207
"1011261"	497.191876	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2ACN+H"	83.060376
"1528297"	498.185508	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+IsoProp+Na+H"	84.054008
"1002402"	249.099576	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+2ACN+2H"	84.067652
"1593623"	499.100128	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+K+HCOOH"	84.968628
"1417095"	529.131638	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+H+CF3COOH"	115.000138
"1152853"	269.612851	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+3ACN+2H"	125.094202
"1706780"	546.158185	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+NH4+CF3COOH"	132.026685
"1644619"	551.11358	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+Na+CF3COOH"	136.98208
"1582456"	567.08752	"C10871"	"Picropodophyllin"	"C22H22O8"	"414.1315"	"M+K+CF3COOH"	152.95602
"812823"	422.1213	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M"	0
"983074"	403.10291	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-H2O-H"	-19.01839
"72409"	280.406924	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M-3H"	-3.021828
"504314"	421.114024	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M-3H"	-3.021828
"881021"	139.699824	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-3H"	-3.021828
"2877"	421.114024	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M-2H"	-2.014552
"443531"	632.174674	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M-2H"	-2.014552
"819145"	210.053374	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-2H"	-2.014552
"83513"	843.235324	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M-H"	-1.007276
"524166"	1265.356624	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M-H"	-1.007276
"899780"	421.114024	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-H"	-1.007276
"51968"	860.261871	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M-2H+NH4"	16.019271
"490439"	1282.383171	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M-2H+NH4"	16.019271
"867149"	438.140571	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-2H+NH4"	16.019271
"38333"	865.217266	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M-2H+Na"	20.974666
"477893"	1287.338566	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M-2H+Na"	20.974666
"850228"	443.095966	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-2H+Na"	20.974666
"1620854"	443.095966	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Na-2H"	20.974666
"94424"	439.102363	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M-H+Cl"	33.962126
"534758"	650.163013	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M-H+Cl"	33.962126
"930462"	228.041713	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-H+Cl"	33.962126
"270112"	879.212002	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+Cl"	34.969402
"661440"	1301.333302	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+Cl"	34.969402
"1274938"	457.090702	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Cl"	34.969402
"16559"	881.191206	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M-2H+K"	36.948606
"456322"	1303.312506	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M-2H+K"	36.948606
"832967"	459.069906	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-2H+K"	36.948606
"1556276"	459.069906	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+K-2H"	36.948606
"945500"	467.119494	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-H+HCOOH"	44.998194
"362985"	889.240801	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+HCOOH-H"	44.998201
"346625"	903.256451	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+Hac-H"	59.013851
"1496801"	481.135151	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Hac-H"	59.013851
"958992"	489.101451	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-H+NaCOOH"	66.980151
"110370"	457.090702	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+2Cl"	69.938804
"556091"	668.151352	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+2Cl"	69.938804
"1021651"	246.030052	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2Cl"	69.938804
"1242282"	501.040185	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Br"	78.918885
"1307647"	503.096172	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Cl+HCOOH"	80.974872
"1324050"	525.078129	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Cl+NaCOOH"	102.956829
"914740"	535.106886	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M-H+CF3COOH"	112.985586
"1292544"	571.083564	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Cl+CF3COOH"	148.962264
"1370706"	387.108624	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H-2H2O"	-35.012676
"1388211"	405.1186	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H-H2O"	-17.0027
"286803"	845.249876	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+H"	1.007276
"683964"	1267.371176	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+H"	1.007276
"1353752"	423.128576	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H"	1.007276
"128460"	423.128576	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+2H"	2.014552
"566197"	634.189226	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+2H"	2.014552
"1040099"	212.067926	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2H"	2.014552
"212018"	282.421476	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+3H"	3.021828
"645381"	423.128576	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+3H"	3.021828
"1162832"	141.714376	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+3H"	3.021828
"424306"	862.276423	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+NH4"	18.033823
"786069"	1284.397723	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+NH4"	18.033823
"1683006"	440.155123	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+NH4"	18.033823
"330558"	431.6418495	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+H+NH4"	19.041099
"723464"	642.7024995	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+H+NH4"	19.041099
"1481904"	220.5811995	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H+NH4"	19.041099
"397304"	867.231818	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+Na"	22.989218
"757206"	1289.353118	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+Na"	22.989218
"1607485"	445.110518	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Na"	22.989218
"318622"	434.119547	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+H+Na"	23.996494
"711043"	645.180197	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+H+Na"	23.996494
"1462188"	223.058897	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H+Na"	23.996494
"1053976"	149.04169	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2H+Na"	25.00377
"1268544"	455.154786	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+CH3OH+H"	33.033486
"387118"	883.205758	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+K"	38.963158
"750302"	1305.327058	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+K"	38.963158
"1547981"	461.084458	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+K"	38.963158
"302972"	442.106517	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+H+K"	39.970434
"698673"	653.167167	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+H+K"	39.970434
"1450307"	231.045867	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H+K"	39.970434
"238908"	886.276426	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+ACN+H"	42.033826
"1217081"	464.155126	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+ACN+H"	42.033826
"1204245"	232.581201	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+ACN+2H"	43.041102
"194926"	889.21376	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+2Na-H"	44.97116
"636672"	1311.33506	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+2Na-H"	44.97116
"1139084"	467.09246	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2Na-H"	44.97116
"181284"	445.110518	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+2Na"	45.978436
"620844"	656.171168	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+2Na"	45.978436
"1124348"	234.049868	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2Na"	45.978436
"1403501"	156.369004	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H+2Na"	46.985712
"1433429"	469.134046	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H+HCOOH"	47.012746
"231518"	450.14354	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+3H2O+2H"	56.04448
"1517760"	483.18609	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+IsoProp+H"	61.06479
"414165"	453.097488	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+Na+K"	61.952376
"780631"	664.158138	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+Na+K"	61.952376
"1671494"	242.036838	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Na+K"	61.952376
"258013"	908.258368	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+ACN+Na"	64.015768
"1232910"	486.137068	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+ACN+Na"	64.015768
"1718515"	486.160593	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+NH4+HCOOH"	64.039293
"1181682"	163.696318	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+3Na"	68.967654
"1658135"	491.115988	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Na+HCOOH"	68.994688
"166091"	921.16164	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+2K-H"	76.91904
"598729"	1343.28294	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+2K-H"	76.91904
"1091263"	499.04034	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2K-H"	76.91904
"144798"	461.084458	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"2M+2K"	77.926316
"587642"	672.145108	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"3M+2K"	77.926316
"1075436"	250.023808	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2K"	77.926316
"1102084"	501.054892	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2K+H"	78.933592
"1337737"	501.142507	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+DMSO+H"	79.021207
"1008090"	505.181676	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2ACN+H"	83.060376
"1528407"	506.175308	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+IsoProp+Na+H"	84.054008
"995950"	253.094476	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+2ACN+2H"	84.067652
"1591546"	507.089928	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+K+HCOOH"	84.968628
"1414771"	537.121438	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+H+CF3COOH"	115.000138
"1152963"	273.607751	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+3ACN+2H"	125.094202
"1709076"	554.147985	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+NH4+CF3COOH"	132.026685
"1648009"	559.10338	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+Na+CF3COOH"	136.98208
"1582566"	575.07732	"C10873"	"Plicatic acid"	"C20H22O10"	"422.1213"	"M+K+CF3COOH"	152.95602
"810747"	414.1315	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M"	0
"983184"	395.11311	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-H2O-H"	-19.01839
"69239"	275.080390666667	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M-3H"	-3.021828
"503286"	413.124224	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M-3H"	-3.021828
"881128"	137.036557333333	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-3H"	-3.021828
"228"	413.124224	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M-2H"	-2.014552
"442912"	620.189974	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M-2H"	-2.014552
"819259"	206.058474	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-2H"	-2.014552
"80465"	827.255724	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M-H"	-1.007276
"519904"	1241.387224	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M-H"	-1.007276
"898796"	413.124224	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-H"	-1.007276
"50985"	844.282271	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M-2H+NH4"	16.019271
"487993"	1258.413771	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M-2H+NH4"	16.019271
"864464"	430.150771	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-2H+NH4"	16.019271
"41723"	849.237666	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M-2H+Na"	20.974666
"475816"	1263.369166	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M-2H+Na"	20.974666
"851434"	435.106166	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-2H+Na"	20.974666
"1618858"	435.106166	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Na-2H"	20.974666
"94576"	431.112563	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M-H+Cl"	33.962126
"534909"	638.178313	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M-H+Cl"	33.962126
"930572"	224.046813	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-H+Cl"	33.962126
"271315"	863.232402	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+Cl"	34.969402
"661550"	1277.363902	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+Cl"	34.969402
"1275048"	449.100902	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Cl"	34.969402
"16384"	865.211606	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M-2H+K"	36.948606
"455863"	1279.343106	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M-2H+K"	36.948606
"833144"	451.080106	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-2H+K"	36.948606
"1556387"	451.080106	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+K-2H"	36.948606
"943299"	459.129694	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-H+HCOOH"	44.998194
"362848"	873.261201	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+HCOOH-H"	44.998201
"346733"	887.276851	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+Hac-H"	59.013851
"1496183"	473.145351	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Hac-H"	59.013851
"960442"	481.111651	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-H+NaCOOH"	66.980151
"112267"	449.100902	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+2Cl"	69.938804
"561671"	656.166652	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+2Cl"	69.938804
"1023544"	242.035152	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2Cl"	69.938804
"1241578"	493.050385	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Br"	78.918885
"1307029"	495.106372	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Cl+HCOOH"	80.974872
"1322337"	517.088329	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Cl+NaCOOH"	102.956829
"916311"	527.117086	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M-H+CF3COOH"	112.985586
"1295935"	563.093764	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Cl+CF3COOH"	148.962264
"1371908"	379.118824	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H-2H2O"	-35.012676
"1388321"	397.1288	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H-H2O"	-17.0027
"286184"	829.270276	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+H"	1.007276
"684438"	1243.401776	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+H"	1.007276
"1354592"	415.138776	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H"	1.007276
"126869"	415.138776	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+2H"	2.014552
"567154"	622.204526	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+2H"	2.014552
"1042396"	208.073026	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2H"	2.014552
"212128"	277.094942666667	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+3H"	3.021828
"645003"	415.138776	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+3H"	3.021828
"1162880"	139.051109333333	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+3H"	3.021828
"424329"	846.296823	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+NH4"	18.033823
"786220"	1260.428323	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+NH4"	18.033823
"1684210"	432.165323	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+NH4"	18.033823
"330667"	423.6520495	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+H+NH4"	19.041099
"724182"	630.7177995	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+H+NH4"	19.041099
"1480921"	216.5862995	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H+NH4"	19.041099
"397414"	851.252218	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+Na"	22.989218
"758409"	1265.383718	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+Na"	22.989218
"1609782"	437.120718	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Na"	22.989218
"315452"	426.129747	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+H+Na"	23.996494
"708966"	633.195497	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+H+Na"	23.996494
"1463269"	219.063997	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H+Na"	23.996494
"1055301"	146.378423333333	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2H+Na"	25.00377
"1265374"	447.164986	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+CH3OH+H"	33.033486
"382853"	867.226158	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+K"	38.963158
"743849"	1281.357658	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+K"	38.963158
"1546998"	453.094658	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+K"	38.963158
"299435"	434.116717	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+H+K"	39.970434
"692217"	641.182467	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+H+K"	39.970434
"1449323"	227.050967	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H+K"	39.970434
"239015"	870.296826	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+ACN+H"	42.033826
"1216098"	456.165326	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+ACN+H"	42.033826
"1199983"	228.586301	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+ACN+2H"	43.041102
"198316"	873.23416	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+2Na-H"	44.97116
"637876"	1287.36566	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+2Na-H"	44.97116
"1139195"	459.10266	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2Na-H"	44.97116
"180300"	437.120718	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+2Na"	45.978436
"617673"	644.186468	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+2Na"	45.978436
"1123365"	230.054968	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2Na"	45.978436
"1401424"	153.705737333333	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H+2Na"	46.985712
"1431350"	461.144246	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H+HCOOH"	47.012746
"229440"	442.15374	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+3H2O+2H"	56.04448
"1514586"	475.19629	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+IsoProp+H"	61.06479
"410994"	445.107688	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+Na+K"	61.952376
"777461"	652.173438	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+Na+K"	61.952376
"1670511"	238.041938	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Na+K"	61.952376
"259216"	892.278768	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+ACN+Na"	64.015768
"1233017"	478.147268	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+ACN+Na"	64.015768
"1717532"	478.170793	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+NH4+HCOOH"	64.039293
"1182885"	161.033051333333	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+3Na"	68.967654
"1654965"	483.126188	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Na+HCOOH"	68.994688
"162921"	905.18204	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+2K-H"	76.91904
"602479"	1319.31354	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+2K-H"	76.91904
"1086630"	491.05054	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2K-H"	76.91904
"144907"	453.094658	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"2M+2K"	77.926316
"584472"	660.160408	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"3M+2K"	77.926316
"1075546"	246.028908	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2K"	77.926316
"1102194"	493.065092	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2K+H"	78.933592
"1336752"	493.152707	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+DMSO+H"	79.021207
"1007104"	497.191876	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2ACN+H"	83.060376
"1527424"	498.185508	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+IsoProp+Na+H"	84.054008
"990468"	249.099576	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+2ACN+2H"	84.067652
"1588376"	499.100128	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+K+HCOOH"	84.968628
"1414879"	529.131638	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+H+CF3COOH"	115.000138
"1153073"	269.612851	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+3ACN+2H"	125.094202
"1709186"	546.158185	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+NH4+CF3COOH"	132.026685
"1648119"	551.11358	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+Na+CF3COOH"	136.98208
"1582676"	567.08752	"C10874"	"Podophyllotoxin"	"C22H22O8"	"414.1315"	"M+K+CF3COOH"	152.95602
"815960"	412.1158	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M"	0
"986576"	393.09741	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-H2O-H"	-19.01839
"66070"	273.736590666667	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M-3H"	-3.021828
"506723"	411.108524	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M-3H"	-3.021828
"883796"	136.364657333333	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-3H"	-3.021828
"6382"	411.108524	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M-2H"	-2.014552
"447035"	617.166424	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M-2H"	-2.014552
"820464"	205.050624	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-2H"	-2.014552
"81546"	823.224324	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M-H"	-1.007276
"522200"	1235.340124	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M-H"	-1.007276
"900006"	411.108524	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-H"	-1.007276
"52194"	840.250871	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M-2H+NH4"	16.019271
"497226"	1252.366671	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M-2H+NH4"	16.019271
"877217"	428.135071	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-2H+NH4"	16.019271
"40742"	845.206266	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M-2H+Na"	20.974666
"478114"	1257.322066	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M-2H+Na"	20.974666
"854824"	433.090466	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-2H+Na"	20.974666
"1622170"	433.090466	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Na-2H"	20.974666
"96513"	429.096863	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M-H+Cl"	33.962126
"539354"	635.154763	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M-H+Cl"	33.962126
"932869"	223.038963	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-H+Cl"	33.962126
"276893"	859.201002	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+Cl"	34.969402
"664941"	1271.316802	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+Cl"	34.969402
"1277345"	447.085202	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Cl"	34.969402
"16498"	861.180206	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M-2H+K"	36.948606
"458003"	1273.296006	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M-2H+K"	36.948606
"833333"	449.064406	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-2H+K"	36.948606
"1556741"	449.064406	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+K-2H"	36.948606
"943408"	457.113994	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-H+HCOOH"	44.998194
"364299"	869.229801	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+HCOOH-H"	44.998201
"346845"	883.245451	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+Hac-H"	59.013851
"1497021"	471.129651	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Hac-H"	59.013851
"960910"	479.095951	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-H+NaCOOH"	66.980151
"111033"	447.085202	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+2Cl"	69.938804
"559960"	653.143102	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+2Cl"	69.938804
"1032402"	241.027302	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2Cl"	69.938804
"1245784"	491.034685	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Br"	78.918885
"1310785"	493.090672	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Cl+HCOOH"	80.974872
"1322448"	515.072629	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Cl+NaCOOH"	102.956829
"917515"	525.101386	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M-H+CF3COOH"	112.985586
"1294952"	561.078064	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Cl+CF3COOH"	148.962264
"1372019"	377.103124	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H-2H2O"	-35.012676
"1387338"	395.1131	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H-H2O"	-17.0027
"285930"	825.238876	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+H"	1.007276
"678351"	1237.354676	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+H"	1.007276
"1354699"	413.123076	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H"	1.007276
"126127"	413.123076	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+2H"	2.014552
"568967"	619.180976	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+2H"	2.014552
"1043599"	207.065176	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2H"	2.014552
"210415"	275.751142666667	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+3H"	3.021828
"644503"	413.123076	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+3H"	3.021828
"1163359"	138.379209333333	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+3H"	3.021828
"424806"	842.265423	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+NH4"	18.033823
"786896"	1254.381223	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+NH4"	18.033823
"1685411"	430.149623	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+NH4"	18.033823
"331263"	421.6363495	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+H+NH4"	19.041099
"723563"	627.6942495	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+H+NH4"	19.041099
"1479939"	215.5784495	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H+NH4"	19.041099
"395338"	847.220818	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+Na"	22.989218
"758520"	1259.336618	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+Na"	22.989218
"1606613"	435.105018	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Na"	22.989218
"314832"	424.114047	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+H+Na"	23.996494
"712356"	630.171947	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+H+Na"	23.996494
"1466177"	218.056147	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H+Na"	23.996494
"1055048"	145.706523333333	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2H+Na"	25.00377
"1266578"	445.149286	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+CH3OH+H"	33.033486
"381140"	863.194758	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+K"	38.963158
"741041"	1275.310558	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+K"	38.963158
"1549296"	451.078958	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+K"	38.963158
"308658"	432.101017	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+H+K"	39.970434
"698892"	638.158917	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+H+K"	39.970434
"1453805"	226.043117	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H+K"	39.970434
"241314"	866.265426	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+ACN+H"	42.033826
"1216209"	454.149626	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+ACN+H"	42.033826
"1201184"	227.578451	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+ACN+2H"	43.041102
"196240"	869.20276	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+2Na-H"	44.97116
"636893"	1281.31856	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+2Na-H"	44.97116
"1139306"	457.08696	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2Na-H"	44.97116
"178224"	435.105018	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+2Na"	45.978436
"616693"	641.162918	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+2Na"	45.978436
"1121288"	229.047118	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2Na"	45.978436
"1399831"	153.033837333333	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H+2Na"	46.985712
"1434744"	459.128546	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H+HCOOH"	47.012746
"227727"	440.13804	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+3H2O+2H"	56.04448
"1513603"	473.18059	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+IsoProp+H"	61.06479
"413288"	443.091988	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+Na+K"	61.952376
"779758"	649.149888	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+Na+K"	61.952376
"1672808"	237.034088	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Na+K"	61.952376
"258233"	888.247368	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+ACN+Na"	64.015768
"1227661"	476.131568	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+ACN+Na"	64.015768
"1717642"	476.155093	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+NH4+HCOOH"	64.039293
"1181902"	160.361151333333	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+3Na"	68.967654
"1652888"	481.110488	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Na+HCOOH"	68.994688
"165217"	901.15064	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+2K-H"	76.91904
"603685"	1313.26644	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+2K-H"	76.91904
"1087105"	489.03484	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2K-H"	76.91904
"147203"	451.078958	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"2M+2K"	77.926316
"583489"	657.136858	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"3M+2K"	77.926316
"1075656"	245.021058	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2K"	77.926316
"1106678"	491.049392	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2K+H"	78.933592
"1338688"	491.137007	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+DMSO+H"	79.021207
"1006488"	495.176176	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2ACN+H"	83.060376
"1524857"	496.169808	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+IsoProp+Na+H"	84.054008
"992888"	248.091726	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+2ACN+2H"	84.067652
"1587392"	497.084428	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+K+HCOOH"	84.968628
"1415239"	527.115938	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+H+CF3COOH"	115.000138
"1147138"	268.605001	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+3ACN+2H"	125.094202
"1709296"	544.142485	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+NH4+CF3COOH"	132.026685
"1648229"	549.09788	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+Na+CF3COOH"	136.98208
"1582786"	565.07182	"C10875"	"Podophyllotoxone"	"C22H20O8"	"412.1158"	"M+K+CF3COOH"	152.95602
"814246"	578.1999	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M"	0
"986684"	559.18151	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-H2O-H"	-19.01839
"63265"	384.459324	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M-3H"	-3.021828
"509019"	577.192624	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M-3H"	-3.021828
"884635"	191.726024	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-3H"	-3.021828
"3211"	577.192624	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M-2H"	-2.014552
"444958"	866.292574	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M-2H"	-2.014552
"819481"	288.092674	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-2H"	-2.014552
"82749"	1155.392524	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M-H"	-1.007276
"524496"	1733.592424	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M-H"	-1.007276
"898051"	577.192624	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-H"	-1.007276
"51211"	1172.419071	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M-2H+NH4"	16.019271
"497336"	1750.618971	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M-2H+NH4"	16.019271
"877328"	594.219171	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-2H+NH4"	16.019271
"43039"	1177.374466	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M-2H+Na"	20.974666
"480412"	1755.574366	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M-2H+Na"	20.974666
"858214"	599.174566	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-2H+Na"	20.974666
"1622280"	599.174566	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Na-2H"	20.974666
"98810"	595.180963	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M-H+Cl"	33.962126
"542744"	884.280913	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M-H+Cl"	33.962126
"932979"	306.081013	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-H+Cl"	33.962126
"273723"	1191.369202	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+Cl"	34.969402
"665051"	1769.569102	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+Cl"	34.969402
"1273928"	613.169302	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Cl"	34.969402
"17826"	1193.348406	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M-2H+K"	36.948606
"461761"	1771.548306	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M-2H+K"	36.948606
"835917"	615.148506	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-2H+K"	36.948606
"1556852"	615.148506	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+K-2H"	36.948606
"945101"	623.198094	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-H+HCOOH"	44.998194
"363678"	1201.398001	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+HCOOH-H"	44.998201
"348656"	1215.413651	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+Hac-H"	59.013851
"1499683"	637.213751	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Hac-H"	59.013851
"960655"	645.180051	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-H+NaCOOH"	66.980151
"111749"	613.169302	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+2Cl"	69.938804
"559706"	902.269252	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+2Cl"	69.938804
"1030325"	324.069352	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2Cl"	69.938804
"1247718"	657.118785	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Br"	78.918885
"1309071"	659.174772	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Cl+HCOOH"	80.974872
"1328389"	681.156729	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Cl+NaCOOH"	102.956829
"919449"	691.185486	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M-H+CF3COOH"	112.985586
"1298342"	727.162164	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Cl+CF3COOH"	148.962264
"1374316"	543.187224	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H-2H2O"	-35.012676
"1388541"	561.1972	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H-H2O"	-17.0027
"284945"	1157.407076	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+H"	1.007276
"679189"	1735.606976	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+H"	1.007276
"1355537"	579.207176	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H"	1.007276
"126604"	579.207176	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+2H"	2.014552
"567985"	868.307126	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+2H"	2.014552
"1044803"	290.107226	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2H"	2.014552
"210525"	386.473876	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+3H"	3.021828
"644859"	579.207176	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+3H"	3.021828
"1164078"	193.740576	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+3H"	3.021828
"426375"	1174.433623	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+NH4"	18.033823
"788099"	1752.633523	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+NH4"	18.033823
"1684429"	596.233723	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+NH4"	18.033823
"334167"	587.7204495	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+H+NH4"	19.041099
"724402"	876.8203995	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+H+NH4"	19.041099
"1480049"	298.6204995	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H+NH4"	19.041099
"399823"	1179.389018	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+Na"	22.989218
"759724"	1757.588918	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+Na"	22.989218
"1604415"	601.189118	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Na"	22.989218
"321139"	590.198147	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+H+Na"	23.996494
"711373"	879.298097	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+H+Na"	23.996494
"1465194"	301.098197	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H+Na"	23.996494
"1056251"	201.06789	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2H+Na"	25.00377
"1266687"	611.233386	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+CH3OH+H"	33.033486
"379793"	1195.362958	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+K"	38.963158
"740787"	1773.562858	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+K"	38.963158
"1549406"	617.163058	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+K"	38.963158
"308768"	598.185117	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+H+K"	39.970434
"695722"	887.285067	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+H+K"	39.970434
"1450634"	309.085167	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H+K"	39.970434
"241424"	1198.433626	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+ACN+H"	42.033826
"1217412"	620.233726	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+ACN+H"	42.033826
"1202388"	310.620501	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+ACN+2H"	43.041102
"196350"	1201.37096	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+2Na-H"	44.97116
"640284"	1779.57086	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+2Na-H"	44.97116
"1139416"	623.17106	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2Na-H"	44.97116
"178334"	601.189118	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+2Na"	45.978436
"617895"	890.289068	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+2Na"	45.978436
"1122490"	312.089168	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2Na"	45.978436
"1401641"	208.395204	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H+2Na"	46.985712
"1433760"	625.212646	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H+HCOOH"	47.012746
"223462"	606.22214	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+3H2O+2H"	56.04448
"1513713"	639.26469	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+IsoProp+H"	61.06479
"412305"	609.176088	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+Na+K"	61.952376
"772211"	898.276038	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+Na+K"	61.952376
"1671825"	320.076138	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Na+K"	61.952376
"257250"	1220.415568	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+ACN+Na"	64.015768
"1227771"	642.215668	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+ACN+Na"	64.015768
"1717752"	642.239193	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+NH4+HCOOH"	64.039293
"1182012"	215.722518	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+3Na"	68.967654
"1651905"	647.194588	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Na+HCOOH"	68.994688
"165327"	1233.31884	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+2K-H"	76.91904
"603795"	1811.51874	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+2K-H"	76.91904
"1086122"	655.11894	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2K-H"	76.91904
"146220"	617.163058	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"2M+2K"	77.926316
"582869"	906.263008	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"3M+2K"	77.926316
"1072486"	328.063108	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2K"	77.926316
"1103508"	657.133492	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2K+H"	78.933592
"1338798"	657.221107	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+DMSO+H"	79.021207
"1006355"	661.260276	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2ACN+H"	83.060376
"1524318"	662.253908	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+IsoProp+Na+H"	84.054008
"992998"	331.133776	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+2ACN+2H"	84.067652
"1587058"	663.168528	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+K+HCOOH"	84.968628
"1415349"	693.200038	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+H+CF3COOH"	115.000138
"1148917"	351.647051	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+3ACN+2H"	125.094202
"1709406"	710.226585	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+NH4+CF3COOH"	132.026685
"1648339"	715.18198	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+Na+CF3COOH"	136.98208
"1582896"	731.15592	"C10876"	"Podorhizol beta-D-glucoside"	"C28H34O13"	"578.1999"	"M+K+CF3COOH"	152.95602
"813262"	394.0689	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M"	0
"980235"	375.05051	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-H2O-H"	-19.01839
"65194"	261.705324	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M-3H"	-3.021828
"503666"	393.061624	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M-3H"	-3.021828
"882559"	130.349024	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-3H"	-3.021828
"4411"	393.061624	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M-2H"	-2.014552
"446160"	590.096074	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M-2H"	-2.014552
"823961"	196.027174	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-2H"	-2.014552
"86141"	787.130524	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M-H"	-1.007276
"522419"	1181.199424	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M-H"	-1.007276
"900228"	393.061624	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-H"	-1.007276
"51321"	804.157071	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M-2H+NH4"	16.019271
"493073"	1198.225971	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M-2H+NH4"	16.019271
"873063"	410.088171	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-2H+NH4"	16.019271
"45337"	809.112466	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M-2H+Na"	20.974666
"482710"	1203.181366	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M-2H+Na"	20.974666
"861605"	415.043566	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-2H+Na"	20.974666
"1625670"	415.043566	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Na-2H"	20.974666
"102200"	411.049963	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M-H+Cl"	33.962126
"542855"	608.084413	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M-H+Cl"	33.962126
"931996"	214.015513	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-H+Cl"	33.962126
"277114"	823.107202	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+Cl"	34.969402
"665161"	1217.176102	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+Cl"	34.969402
"1275131"	429.038302	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Cl"	34.969402
"19029"	825.086406	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M-2H+K"	36.948606
"459319"	1219.155306	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M-2H+K"	36.948606
"835663"	431.017506	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-2H+K"	36.948606
"1558057"	431.017506	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+K-2H"	36.948606
"945939"	439.067094	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-H+HCOOH"	44.998194
"364882"	833.136001	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+HCOOH-H"	44.998201
"348402"	847.151651	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+Hac-H"	59.013851
"1499793"	453.082751	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Hac-H"	59.013851
"960039"	461.049051	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-H+NaCOOH"	66.980151
"112588"	429.038302	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+2Cl"	69.938804
"560180"	626.072752	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+2Cl"	69.938804
"1028978"	232.003852	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2Cl"	69.938804
"1247466"	472.987785	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Br"	78.918885
"1307723"	475.043772	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Cl+HCOOH"	80.974872
"1328499"	497.025729	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Cl+NaCOOH"	102.956829
"917736"	507.054486	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M-H+CF3COOH"	112.985586
"1298452"	543.031164	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Cl+CF3COOH"	148.962264
"1377707"	359.056224	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H-2H2O"	-35.012676
"1388651"	377.0662	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H-H2O"	-17.0027
"285785"	789.145076	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+H"	1.007276
"681851"	1183.213976	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+H"	1.007276
"1356376"	395.076176	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H"	1.007276
"127078"	395.076176	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+2H"	2.014552
"569554"	592.110626	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+2H"	2.014552
"1044913"	198.041726	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2H"	2.014552
"210635"	263.719876	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+3H"	3.021828
"644400"	395.076176	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+3H"	3.021828
"1164309"	132.363576	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+3H"	3.021828
"427578"	806.171623	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+NH4"	18.033823
"790396"	1200.240523	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+NH4"	18.033823
"1687817"	412.102723	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+NH4"	18.033823
"335003"	403.5894495	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+H+NH4"	19.041099
"724877"	600.6238995	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+H+NH4"	19.041099
"1479430"	206.5549995	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H+NH4"	19.041099
"401026"	811.127018	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+Na"	22.989218
"760928"	1205.195918	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+Na"	22.989218
"1604650"	417.058118	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Na"	22.989218
"320156"	406.067147	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+H+Na"	23.996494
"709297"	603.101597	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+H+Na"	23.996494
"1464211"	209.032697	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H+Na"	23.996494
"1053807"	139.69089	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2H+Na"	25.00377
"1265704"	427.102386	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+CH3OH+H"	33.033486
"379903"	827.100958	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+K"	38.963158
"741990"	1221.169858	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+K"	38.963158
"1551702"	433.032058	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+K"	38.963158
"308878"	414.054117	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+H+K"	39.970434
"699111"	611.088567	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+H+K"	39.970434
"1450743"	217.019667	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H+K"	39.970434
"244811"	830.171626	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+ACN+H"	42.033826
"1219707"	436.102726	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+ACN+H"	42.033826
"1202497"	218.555001	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+ACN+2H"	43.041102
"197555"	833.10896	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+2Na-H"	44.97116
"638207"	1227.17786	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+2Na-H"	44.97116
"1137339"	439.04006	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2Na-H"	44.97116
"177352"	417.058118	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+2Na"	45.978436
"616910"	614.092568	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+2Na"	45.978436
"1121509"	220.023668	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2Na"	45.978436
"1400050"	147.018204	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H+2Na"	46.985712
"1432776"	441.081646	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H+HCOOH"	47.012746
"227944"	422.09114	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+3H2O+2H"	56.04448
"1516008"	455.13369	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+IsoProp+H"	61.06479
"415693"	425.045088	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+Na+K"	61.952376
"775601"	622.079538	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+Na+K"	61.952376
"1671935"	228.010638	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Na+K"	61.952376
"257360"	852.153568	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+ACN+Na"	64.015768
"1227881"	458.084668	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+ACN+Na"	64.015768
"1716769"	458.108193	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+NH4+HCOOH"	64.039293
"1184309"	154.345518	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+3Na"	68.967654
"1654201"	463.063588	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Na+HCOOH"	68.994688
"166531"	865.05684	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+2K-H"	76.91904
"603905"	1259.12574	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+2K-H"	76.91904
"1087325"	470.98794	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2K-H"	76.91904
"148517"	433.032058	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"2M+2K"	77.926316
"586989"	630.066508	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"3M+2K"	77.926316
"1072596"	235.997608	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2K"	77.926316
"1103618"	473.002492	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2K+H"	78.933592
"1340002"	473.090107	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+DMSO+H"	79.021207
"1010720"	477.129276	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2ACN+H"	83.060376
"1529938"	478.122908	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+IsoProp+Na+H"	84.054008
"993108"	239.068276	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+2ACN+2H"	84.067652
"1587282"	479.037528	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+K+HCOOH"	84.968628
"1417646"	509.069038	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+H+CF3COOH"	115.000138
"1149027"	259.581551	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+3ACN+2H"	125.094202
"1709516"	526.095585	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+NH4+CF3COOH"	132.026685
"1637512"	531.05098	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+Na+CF3COOH"	136.98208
"1583006"	547.02492	"C10877"	"Prostalidin A"	"C21H14O8"	"394.0689"	"M+K+CF3COOH"	152.95602
"816778"	282.1256	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M"	0
"986905"	263.10721	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-H2O-H"	-19.01839
"72962"	187.076457333333	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M-3H"	-3.021828
"511426"	281.118324	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M-3H"	-3.021828
"888137"	93.0345906666667	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-3H"	-3.021828
"4522"	281.118324	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M-2H"	-2.014552
"448457"	422.181124	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M-2H"	-2.014552
"824071"	140.055524	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-2H"	-2.014552
"85157"	563.243924	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M-H"	-1.007276
"524716"	845.369524	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M-H"	-1.007276
"899238"	281.118324	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-H"	-1.007276
"50330"	580.270471	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M-2H+NH4"	16.019271
"489158"	862.396071	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M-2H+NH4"	16.019271
"874266"	298.144871	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-2H+NH4"	16.019271
"44354"	585.225866	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M-2H+Na"	20.974666
"481728"	867.351466	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M-2H+Na"	20.974666
"855153"	303.100266	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-2H+Na"	20.974666
"1622500"	303.100266	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Na-2H"	20.974666
"100123"	299.106663	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M-H+Cl"	33.962126
"541871"	440.169463	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M-H+Cl"	33.962126
"932106"	158.043863	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-H+Cl"	33.962126
"275037"	599.220602	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+Cl"	34.969402
"666364"	881.346202	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+Cl"	34.969402
"1273659"	317.095002	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Cl"	34.969402
"21325"	601.199806	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M-2H+K"	36.948606
"459429"	883.325406	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M-2H+K"	36.948606
"837595"	319.074206	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-2H+K"	36.948606
"1558166"	319.074206	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+K-2H"	36.948606
"947142"	327.123794	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-H+HCOOH"	44.998194
"364997"	609.249401	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+HCOOH-H"	44.998201
"347419"	623.265051	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+Hac-H"	59.013851
"1499903"	341.139451	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Hac-H"	59.013851
"960877"	349.105751	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-H+NaCOOH"	66.980151
"112336"	317.095002	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+2Cl"	69.938804
"553357"	458.157802	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+2Cl"	69.938804
"1026896"	176.032202	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2Cl"	69.938804
"1249761"	361.044485	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Br"	78.918885
"1307831"	363.100472	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Cl+HCOOH"	80.974872
"1325329"	385.082429	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Cl+NaCOOH"	102.956829
"914566"	395.111186	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M-H+CF3COOH"	112.985586
"1296375"	431.087864	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Cl+CF3COOH"	148.962264
"1375628"	247.112924	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H-2H2O"	-35.012676
"1388762"	265.1229	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H-H2O"	-17.0027
"284438"	565.258476	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+H"	1.007276
"679774"	847.384076	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+H"	1.007276
"1354663"	283.132876	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H"	1.007276
"129012"	283.132876	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+2H"	2.014552
"568571"	424.195676	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+2H"	2.014552
"1045023"	142.070076	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2H"	2.014552
"208559"	189.091009333333	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+3H"	3.021828
"646052"	283.132876	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+3H"	3.021828
"1164660"	95.0491426666667	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+3H"	3.021828
"427322"	582.285023	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+NH4"	18.033823
"789411"	864.410623	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+NH4"	18.033823
"1684647"	300.159423	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+NH4"	18.033823
"335113"	291.6461495	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+H+NH4"	19.041099
"724623"	432.7089495	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+H+NH4"	19.041099
"1480268"	150.5833495	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H+NH4"	19.041099
"402231"	587.240418	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+Na"	22.989218
"762132"	869.366018	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+Na"	22.989218
"1605003"	305.114818	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Na"	22.989218
"320267"	294.123847	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+H+Na"	23.996494
"709407"	435.186647	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+H+Na"	23.996494
"1462252"	153.061047	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H+Na"	23.996494
"1053063"	102.376456666667	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2H+Na"	25.00377
"1265814"	315.159086	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+CH3OH+H"	33.033486
"380013"	603.214358	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+K"	38.963158
"743556"	885.339958	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+K"	38.963158
"1551812"	321.088758	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+K"	38.963158
"308988"	302.110817	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+H+K"	39.970434
"701408"	443.173617	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+H+K"	39.970434
"1455227"	161.048017	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H+K"	39.970434
"243829"	606.285026	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+ACN+H"	42.033826
"1222005"	324.159426	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+ACN+H"	42.033826
"1208075"	162.583351	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+ACN+2H"	43.041102
"201676"	609.22236	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+2Na-H"	44.97116
"633945"	891.34796	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+2Na-H"	44.97116
"1134172"	327.09676	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2Na-H"	44.97116
"173451"	305.114818	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+2Na"	45.978436
"617022"	446.177618	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+2Na"	45.978436
"1120525"	164.052018	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2Na"	45.978436
"1398508"	109.703770666667	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H+2Na"	46.985712
"1432156"	329.138346	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H+HCOOH"	47.012746
"223678"	310.14784	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+3H2O+2H"	56.04448
"1516118"	343.19039	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+IsoProp+H"	61.06479
"413615"	313.101788	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+Na+K"	61.952376
"773885"	454.164588	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+Na+K"	61.952376
"1673130"	172.038988	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Na+K"	61.952376
"253096"	628.266968	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+ACN+Na"	64.015768
"1227625"	346.141368	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+ACN+Na"	64.015768
"1719065"	346.164893	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+NH4+HCOOH"	64.039293
"1180406"	117.031084666667	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+3Na"	68.967654
"1652125"	351.120288	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Na+HCOOH"	68.994688
"166641"	641.17024	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+2K-H"	76.91904
"601828"	923.29584	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+2K-H"	76.91904
"1086342"	359.04464	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2K-H"	76.91904
"149720"	321.088758	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"2M+2K"	77.926316
"591473"	462.151558	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"3M+2K"	77.926316
"1080361"	180.025958	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2K"	77.926316
"1107008"	361.059192	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2K+H"	78.933592
"1343392"	361.146807	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+DMSO+H"	79.021207
"1013017"	365.185976	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2ACN+H"	83.060376
"1532235"	366.179608	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+IsoProp+Na+H"	84.054008
"993218"	183.096626	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+2ACN+2H"	84.067652
"1587474"	367.094228	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+K+HCOOH"	84.968628
"1414954"	397.125738	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+H+CF3COOH"	115.000138
"1149137"	203.609901	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+3ACN+2H"	125.094202
"1710719"	414.152285	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+NH4+CF3COOH"	132.026685
"1637622"	419.10768	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+Na+CF3COOH"	136.98208
"1583116"	435.08162	"C10878"	"Randainol"	"C18H18O3"	"282.1256"	"M+K+CF3COOH"	152.95602
"815669"	372.1937	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M"	0
"980454"	353.17531	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-H2O-H"	-19.01839
"67603"	247.121857333333	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M-3H"	-3.021828
"509349"	371.186424	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M-3H"	-3.021828
"884967"	123.057290666667	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-3H"	-3.021828
"4632"	371.186424	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M-2H"	-2.014552
"448567"	557.283274	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M-2H"	-2.014552
"824181"	185.089574	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-2H"	-2.014552
"85267"	743.380124	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M-H"	-1.007276
"523733"	1115.573824	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M-H"	-1.007276
"899348"	371.186424	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-H"	-1.007276
"48254"	760.406671	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M-2H+NH4"	16.019271
"491453"	1132.600371	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M-2H+NH4"	16.019271
"872188"	388.212971	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-2H+NH4"	16.019271
"33527"	765.362066	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M-2H+Na"	20.974666
"480742"	1137.555766	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M-2H+Na"	20.974666
"855263"	393.168366	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-2H+Na"	20.974666
"1622610"	393.168366	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Na-2H"	20.974666
"100233"	389.174763	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M-H+Cl"	33.962126
"540888"	575.271613	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M-H+Cl"	33.962126
"931123"	203.077913	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-H+Cl"	33.962126
"271867"	779.356802	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+Cl"	34.969402
"664287"	1151.550502	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+Cl"	34.969402
"1273286"	407.163102	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Cl"	34.969402
"19612"	781.336006	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M-2H+K"	36.948606
"461726"	1153.529706	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M-2H+K"	36.948606
"839527"	409.142306	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-2H+K"	36.948606
"1558641"	409.142306	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+K-2H"	36.948606
"945065"	417.191894	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-H+HCOOH"	44.998194
"363645"	789.385601	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+HCOOH-H"	44.998201
"346437"	803.401251	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+Hac-H"	59.013851
"1494908"	431.207551	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Hac-H"	59.013851
"960625"	439.173851	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-H+NaCOOH"	66.980151
"111354"	407.163102	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+2Cl"	69.938804
"554196"	593.259952	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+2Cl"	69.938804
"1021900"	221.066252	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2Cl"	69.938804
"1250964"	451.112585	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Br"	78.918885
"1306848"	453.168572	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Cl+HCOOH"	80.974872
"1325439"	475.150529	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Cl+NaCOOH"	102.956829
"912853"	485.179286	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M-H+CF3COOH"	112.985586
"1291380"	521.155964	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Cl+CF3COOH"	148.962264
"1372093"	337.181024	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H-2H2O"	-35.012676
"1388872"	355.191	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H-H2O"	-17.0027
"286371"	745.394676	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+H"	1.007276
"677697"	1117.588376	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+H"	1.007276
"1353314"	373.200976	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H"	1.007276
"126935"	373.200976	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+2H"	2.014552
"568680"	559.297826	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+2H"	2.014552
"1045134"	187.104126	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2H"	2.014552
"208669"	249.136409333333	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+3H"	3.021828
"647134"	373.200976	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+3H"	3.021828
"1163799"	125.071842666667	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+3H"	3.021828
"425245"	762.421223	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+NH4"	18.033823
"787335"	1134.614923	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+NH4"	18.033823
"1682935"	390.227523	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+NH4"	18.033823
"333037"	381.7142495	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+H+NH4"	19.041099
"723761"	567.8110995	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+H+NH4"	19.041099
"1479285"	195.6173995	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H+NH4"	19.041099
"401247"	767.376618	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+Na"	22.989218
"760055"	1139.570318	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+Na"	22.989218
"1605964"	395.182918	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Na"	22.989218
"321470"	384.191947	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+H+Na"	23.996494
"708787"	570.288797	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+H+Na"	23.996494
"1462243"	198.095097	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H+Na"	23.996494
"1054756"	132.399156666667	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2H+Na"	25.00377
"1267017"	405.227186	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+CH3OH+H"	33.033486
"383402"	783.350558	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+K"	38.963158
"742573"	1155.544258	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+K"	38.963158
"1553015"	411.156858	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+K"	38.963158
"308005"	392.178917	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+H+K"	39.970434
"698238"	578.275767	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+H+K"	39.970434
"1453150"	206.082067	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H+K"	39.970434
"246125"	786.421226	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+ACN+H"	42.033826
"1222115"	414.227526	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+ACN+H"	42.033826
"1208185"	207.617401	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+ACN+2H"	43.041102
"201422"	789.35856	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+2Na-H"	44.97116
"632962"	1161.55226	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+2Na-H"	44.97116
"1134282"	417.16486	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2Na-H"	44.97116
"173924"	395.182918	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+2Na"	45.978436
"613852"	581.279768	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+2Na"	45.978436
"1120635"	209.086068	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2Na"	45.978436
"1399177"	139.726470666667	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H+2Na"	46.985712
"1434088"	419.206446	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H+HCOOH"	47.012746
"223788"	400.21594	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+3H2O+2H"	56.04448
"1514039"	433.25849	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+IsoProp+H"	61.06479
"413725"	403.169888	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+Na+K"	61.952376
"773626"	589.266738	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+Na+K"	61.952376
"1675426"	217.073038	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Na+K"	61.952376
"257580"	808.403168	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+ACN+Na"	64.015768
"1227736"	436.209468	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+ACN+Na"	64.015768
"1719175"	436.232993	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+NH4+HCOOH"	64.039293
"1180880"	147.053784666667	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+3Na"	68.967654
"1651260"	441.188388	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Na+HCOOH"	68.994688
"170031"	821.30644	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+2K-H"	76.91904
"599751"	1193.50014	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+2K-H"	76.91904
"1085480"	449.11274	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2K-H"	76.91904
"148736"	411.156858	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"2M+2K"	77.926316
"591583"	597.253708	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"3M+2K"	77.926316
"1080471"	225.060008	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2K"	77.926316
"1106025"	451.127292	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2K+H"	78.933592
"1338763"	451.214907	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+DMSO+H"	79.021207
"1013127"	455.254076	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2ACN+H"	83.060376
"1525785"	456.247708	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+IsoProp+Na+H"	84.054008
"993328"	228.130676	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+2ACN+2H"	84.067652
"1587708"	457.162328	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+K+HCOOH"	84.968628
"1414946"	487.193838	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+H+CF3COOH"	115.000138
"1149247"	248.643951	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+3ACN+2H"	125.094202
"1708643"	504.220385	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+NH4+CF3COOH"	132.026685
"1637732"	509.17578	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+Na+CF3COOH"	136.98208
"1583226"	525.14972	"C10879"	"Saucernetin"	"C22H28O5"	"372.1937"	"M+K+CF3COOH"	152.95602
"814687"	352.0947	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M"	0
"980564"	333.07631	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-H2O-H"	-19.01839
"69900"	233.722524	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M-3H"	-3.021828
"507273"	351.087424	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M-3H"	-3.021828
"881431"	116.357624	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-3H"	-3.021828
"4013"	351.087424	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M-2H"	-2.014552
"445397"	527.134774	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M-2H"	-2.014552
"822104"	175.040074	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-2H"	-2.014552
"84283"	703.182124	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M-H"	-1.007276
"526030"	1055.276824	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M-H"	-1.007276
"898365"	351.087424	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-H"	-1.007276
"51644"	720.208671	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M-2H+NH4"	16.019271
"491566"	1072.303371	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M-2H+NH4"	16.019271
"867924"	368.113971	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-2H+NH4"	16.019271
"31934"	725.164066	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M-2H+Na"	20.974666
"477572"	1077.258766	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M-2H+Na"	20.974666
"852093"	373.069366	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-2H+Na"	20.974666
"1619074"	373.069366	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Na-2H"	20.974666
"101436"	369.075763	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M-H+Cl"	33.962126
"539904"	545.123113	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M-H+Cl"	33.962126
"931232"	193.028413	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-H+Cl"	33.962126
"271977"	739.158802	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+Cl"	34.969402
"662211"	1091.253502	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+Cl"	34.969402
"1275706"	387.064102	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Cl"	34.969402
"16927"	741.138006	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M-2H+K"	36.948606
"460743"	1093.232706	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M-2H+K"	36.948606
"833806"	389.043306	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-2H+K"	36.948606
"1556929"	389.043306	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+K-2H"	36.948606
"943186"	397.092894	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-H+HCOOH"	44.998194
"361549"	749.187601	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+HCOOH-H"	44.998201
"345786"	763.203251	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+Hac-H"	59.013851
"1494650"	411.108551	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Hac-H"	59.013851
"958865"	419.074851	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-H+NaCOOH"	66.980151
"110005"	387.064102	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+2Cl"	69.938804
"550053"	563.111452	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+2Cl"	69.938804
"1021444"	211.016752	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2Cl"	69.938804
"1249980"	431.013585	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Br"	78.918885
"1308052"	433.069572	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Cl+HCOOH"	80.974872
"1325911"	455.051529	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Cl+NaCOOH"	102.956829
"915150"	465.080286	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M-H+CF3COOH"	112.985586
"1295502"	501.056964	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Cl+CF3COOH"	148.962264
"1373662"	317.082024	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H-2H2O"	-35.012676
"1385330"	335.092	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H-H2O"	-17.0027
"285749"	705.196676	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+H"	1.007276
"677805"	1057.291376	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+H"	1.007276
"1356338"	353.101976	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H"	1.007276
"128136"	353.101976	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+2H"	2.014552
"570248"	529.149326	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+2H"	2.014552
"1040139"	177.054626	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2H"	2.014552
"207685"	235.737076	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+3H"	3.021828
"646151"	353.101976	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+3H"	3.021828
"1163174"	118.372176	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+3H"	3.021828
"424743"	722.223223	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+NH4"	18.033823
"786062"	1074.317923	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+NH4"	18.033823
"1682313"	370.128523	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+NH4"	18.033823
"333145"	361.6152495	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+H+NH4"	19.041099
"723261"	537.6625995	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+H+NH4"	19.041099
"1478543"	185.5678995	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H+NH4"	19.041099
"400264"	727.178618	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+Na"	22.989218
"760166"	1079.273318	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+Na"	22.989218
"1605345"	375.083918	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Na"	22.989218
"320487"	364.092947	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+H+Na"	23.996494
"708168"	540.140297	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+H+Na"	23.996494
"1462229"	188.045597	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H+Na"	23.996494
"1054619"	125.69949	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2H+Na"	25.00377
"1264940"	385.128186	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+CH3OH+H"	33.033486
"382418"	743.152558	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+K"	38.963158
"742319"	1095.247258	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+K"	38.963158
"1552032"	391.057858	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+K"	38.963158
"308115"	372.079917	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+H+K"	39.970434
"695066"	548.127267	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+H+K"	39.970434
"1451074"	196.032567	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H+K"	39.970434
"240768"	746.223226	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+ACN+H"	42.033826
"1218946"	394.128526	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+ACN+H"	42.033826
"1203922"	197.567901	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+ACN+2H"	43.041102
"197887"	749.16056	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+2Na-H"	44.97116
"636352"	1101.25526	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+2Na-H"	44.97116
"1139855"	397.06586	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2Na-H"	44.97116
"177679"	375.083918	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+2Na"	45.978436
"616146"	551.131268	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+2Na"	45.978436
"1118559"	199.036568	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2Na"	45.978436
"1402081"	133.026804	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H+2Na"	46.985712
"1436750"	399.107446	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H+HCOOH"	47.012746
"223166"	380.11694	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+3H2O+2H"	56.04448
"1511961"	413.15949	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+IsoProp+H"	61.06479
"414928"	383.070888	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+Na+K"	61.952376
"774830"	559.118238	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+Na+K"	61.952376
"1670069"	207.023538	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Na+K"	61.952376
"255503"	768.205168	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+ACN+Na"	64.015768
"1226871"	416.110468	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+ACN+Na"	64.015768
"1716005"	416.133993	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+NH4+HCOOH"	64.039293
"1179898"	140.354118	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+3Na"	68.967654
"1651249"	421.089388	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Na+HCOOH"	68.994688
"160300"	781.10844	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+2K-H"	76.91904
"598768"	1133.20314	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+2K-H"	76.91904
"1085590"	429.01374	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2K-H"	76.91904
"148846"	391.057858	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"2M+2K"	77.926316
"589507"	567.105208	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"3M+2K"	77.926316
"1074018"	215.010508	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2K"	77.926316
"1103946"	431.028292	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2K+H"	78.933592
"1339237"	431.115907	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+DMSO+H"	79.021207
"1007888"	435.155076	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2ACN+H"	83.060376
"1525161"	436.148708	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+IsoProp+Na+H"	84.054008
"994531"	218.081176	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+2ACN+2H"	84.067652
"1589034"	437.063328	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+K+HCOOH"	84.968628
"1415786"	467.094838	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+H+CF3COOH"	115.000138
"1149357"	238.594451	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+3ACN+2H"	125.094202
"1707660"	484.121385	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+NH4+CF3COOH"	132.026685
"1637842"	489.07678	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+Na+CF3COOH"	136.98208
"1583336"	505.05072	"C10880"	"Savinin"	"C20H16O6"	"352.0947"	"M+K+CF3COOH"	152.95602
"815890"	536.2046	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M"	0
"986142"	517.18621	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-H2O-H"	-19.01839
"67822"	356.462457333333	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M-3H"	-3.021828
"508477"	535.197324	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M-3H"	-3.021828
"885185"	177.727590666667	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-3H"	-3.021828
"5947"	535.197324	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M-2H"	-2.014552
"448787"	803.299624	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M-2H"	-2.014552
"824401"	267.095024	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-2H"	-2.014552
"84393"	1071.401924	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M-H"	-1.007276
"522860"	1607.606524	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M-H"	-1.007276
"897746"	535.197324	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-H"	-1.007276
"51751"	1088.428471	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M-2H+NH4"	16.019271
"491313"	1624.633071	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M-2H+NH4"	16.019271
"870220"	552.223871	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-2H+NH4"	16.019271
"32895"	1093.383866	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M-2H+Na"	20.974666
"474402"	1629.588466	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M-2H+Na"	20.974666
"858765"	557.179266	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-2H+Na"	20.974666
"1622831"	557.179266	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Na-2H"	20.974666
"102641"	553.185663	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M-H+Cl"	33.962126
"536733"	821.287963	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M-H+Cl"	33.962126
"935718"	285.083363	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-H+Cl"	33.962126
"274274"	1107.378602	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+Cl"	34.969402
"660493"	1643.583202	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+Cl"	34.969402
"1274357"	571.174002	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Cl"	34.969402
"18739"	1109.357806	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M-2H+K"	36.948606
"461217"	1645.562406	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M-2H+K"	36.948606
"837560"	573.153206	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-2H+K"	36.948606
"1559954"	573.153206	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+K-2H"	36.948606
"944556"	581.202794	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-H+HCOOH"	44.998194
"363137"	1117.407401	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+HCOOH-H"	44.998201
"347751"	1131.423051	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+Hac-H"	59.013851
"1496948"	595.218451	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Hac-H"	59.013851
"960477"	603.184751	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-H+NaCOOH"	66.980151
"110305"	571.174002	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+2Cl"	69.938804
"550148"	839.276302	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+2Cl"	69.938804
"1021868"	303.071702	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2Cl"	69.938804
"1243888"	615.123485	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Br"	78.918885
"1304208"	617.179472	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Cl+HCOOH"	80.974872
"1323468"	639.161429	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Cl+NaCOOH"	102.956829
"913797"	649.190186	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M-H+CF3COOH"	112.985586
"1295976"	685.166864	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Cl+CF3COOH"	148.962264
"1371949"	501.191924	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H-2H2O"	-35.012676
"1384710"	519.2019	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H-H2O"	-17.0027
"286224"	1073.416476	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+H"	1.007276
"678643"	1609.621076	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+H"	1.007276
"1353170"	537.211876	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H"	1.007276
"128246"	537.211876	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+2H"	2.014552
"568899"	805.314176	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+2H"	2.014552
"1041342"	269.109576	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2H"	2.014552
"206699"	358.477009333333	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+3H"	3.021828
"644676"	537.211876	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+3H"	3.021828
"1163894"	179.742142666667	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+3H"	3.021828
"425587"	1090.443023	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+NH4"	18.033823
"785704"	1626.647623	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+NH4"	18.033823
"1681531"	554.238423	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+NH4"	18.033823
"331190"	545.7251495	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+H+NH4"	19.041099
"723737"	813.8274495	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+H+NH4"	19.041099
"1477798"	277.6228495	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H+NH4"	19.041099
"397092"	1095.398418	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+Na"	22.989218
"758087"	1631.603018	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+Na"	22.989218
"1604115"	559.193818	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Na"	22.989218
"317317"	548.202847	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+H+Na"	23.996494
"708520"	816.305147	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+H+Na"	23.996494
"1462579"	280.100547	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H+Na"	23.996494
"1054002"	187.069456666667	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2H+Na"	25.00377
"1262862"	569.238086	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+CH3OH+H"	33.033486
"380341"	1111.372358	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+K"	38.963158
"743522"	1647.576958	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+K"	38.963158
"1546675"	575.167758	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+K"	38.963158
"302758"	556.189817	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+H+K"	39.970434
"695177"	824.292117	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+H+K"	39.970434
"1453369"	288.087517	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H+K"	39.970434
"240878"	1114.443026	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+ACN+H"	42.033826
"1219056"	578.238426	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+ACN+H"	42.033826
"1202939"	289.622851	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+ACN+2H"	43.041102
"193624"	1117.38036	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+2Na-H"	44.97116
"635369"	1653.58496	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+2Na-H"	44.97116
"1137778"	581.17576	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2Na-H"	44.97116
"174874"	559.193818	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+2Na"	45.978436
"616256"	827.296118	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+2Na"	45.978436
"1119763"	291.091518	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2Na"	45.978436
"1402192"	194.396770666667	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H+2Na"	46.985712
"1436495"	583.217346	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H+HCOOH"	47.012746
"221575"	564.22684	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+3H2O+2H"	56.04448
"1513165"	597.26939	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+IsoProp+H"	61.06479
"415039"	567.180788	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+Na+K"	61.952376
"774940"	835.283088	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+Na+K"	61.952376
"1672367"	299.078488	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Na+K"	61.952376
"256706"	1136.424968	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+ACN+Na"	64.015768
"1226983"	600.220368	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+ACN+Na"	64.015768
"1716115"	600.243893	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+NH4+HCOOH"	64.039293
"1180738"	201.724084666667	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+3Na"	68.967654
"1656830"	605.199288	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Na+HCOOH"	68.994688
"158953"	1149.32824	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+2K-H"	76.91904
"605439"	1685.53284	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+2K-H"	76.91904
"1091046"	613.12364	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2K-H"	76.91904
"144582"	575.167758	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"2M+2K"	77.926316
"590710"	843.270058	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"3M+2K"	77.926316
"1078500"	307.065458	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2K"	77.926316
"1108429"	615.138192	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2K+H"	78.933592
"1341533"	615.225807	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+DMSO+H"	79.021207
"1011157"	619.264976	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2ACN+H"	83.060376
"1528189"	620.258608	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+IsoProp+Na+H"	84.054008
"990748"	310.136126	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+2ACN+2H"	84.067652
"1592424"	621.173228	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+K+HCOOH"	84.968628
"1416989"	651.204738	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+H+CF3COOH"	115.000138
"1152746"	330.649401	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+3ACN+2H"	125.094202
"1699019"	668.231285	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+NH4+CF3COOH"	132.026685
"1639045"	673.18668	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+Na+CF3COOH"	136.98208
"1583446"	689.16062	"C10881"	"Schisantherin A;Gomisin C"	"C30H32O9"	"536.2046"	"M+K+CF3COOH"	152.95602
"815999"	354.1103	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M"	0
"980784"	335.09191	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-H2O-H"	-19.01839
"69027"	235.066257333333	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M-3H"	-3.021828
"508587"	353.103024	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M-3H"	-3.021828
"882017"	117.029490666667	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-3H"	-3.021828
"4966"	353.103024	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M-2H"	-2.014552
"449991"	530.158174	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M-2H"	-2.014552
"823418"	176.047874	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-2H"	-2.014552
"84504"	707.213324	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M-H"	-1.007276
"521877"	1061.323624	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M-H"	-1.007276
"897492"	353.103024	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-H"	-1.007276
"51131"	724.239871	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M-2H+NH4"	16.019271
"490328"	1078.350171	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M-2H+NH4"	16.019271
"870330"	370.129571	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-2H+NH4"	16.019271
"33247"	729.195266	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M-2H+Na"	20.974666
"474512"	1083.305566	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M-2H+Na"	20.974666
"851220"	375.084966	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-2H+Na"	20.974666
"1620752"	375.084966	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Na-2H"	20.974666
"100563"	371.091363	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M-H+Cl"	33.962126
"539030"	548.146513	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M-H+Cl"	33.962126
"931452"	194.036213	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-H+Cl"	33.962126
"271102"	743.190002	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+Cl"	34.969402
"660150"	1097.300302	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+Cl"	34.969402
"1273615"	389.079702	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Cl"	34.969402
"17389"	745.169206	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M-2H+K"	36.948606
"462056"	1099.279506	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M-2H+K"	36.948606
"837670"	391.058906	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-2H+K"	36.948606
"1560064"	391.058906	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+K-2H"	36.948606
"942964"	399.108494	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-H+HCOOH"	44.998194
"362881"	753.218801	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+HCOOH-H"	44.998201
"346766"	767.234451	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+Hac-H"	59.013851
"1495963"	413.124151	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Hac-H"	59.013851
"958513"	421.090451	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-H+NaCOOH"	66.980151
"110136"	389.079702	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+2Cl"	69.938804
"550145"	566.134852	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+2Cl"	69.938804
"1021614"	212.024552	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2Cl"	69.938804
"1242903"	433.029185	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Br"	78.918885
"1304406"	435.085172	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Cl+HCOOH"	80.974872
"1323214"	457.067129	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Cl+NaCOOH"	102.956829
"913543"	467.095886	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M-H+CF3COOH"	112.985586
"1293534"	503.072564	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Cl+CF3COOH"	148.962264
"1373152"	319.097624	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H-2H2O"	-35.012676
"1384455"	337.1076	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H-H2O"	-17.0027
"286699"	709.227876	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+H"	1.007276
"677297"	1063.338176	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+H"	1.007276
"1352552"	355.117576	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H"	1.007276
"126289"	355.117576	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+2H"	2.014552
"568280"	532.172726	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+2H"	2.014552
"1039996"	178.062426	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2H"	2.014552
"208633"	237.080809333333	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+3H"	3.021828
"645639"	355.117576	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+3H"	3.021828
"1162949"	119.044042666667	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+3H"	3.021828
"424724"	726.254423	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+NH4"	18.033823
"786692"	1080.364723	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+NH4"	18.033823
"1681301"	372.144123	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+NH4"	18.033823
"330247"	363.6308495	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+H+NH4"	19.041099
"724694"	540.6859995	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+H+NH4"	19.041099
"1478030"	186.5756995	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H+NH4"	19.041099
"392828"	731.209818	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+Na"	22.989218
"758197"	1085.320118	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+Na"	22.989218
"1605198"	377.099518	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Na"	22.989218
"317427"	366.108547	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+H+Na"	23.996494
"709846"	543.163697	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+H+Na"	23.996494
"1462936"	189.053397	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H+Na"	23.996494
"1054721"	126.371356666667	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2H+Na"	25.00377
"1260787"	387.143786	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+CH3OH+H"	33.033486
"381545"	747.183758	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+K"	38.963158
"741446"	1101.294058	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+K"	38.963158
"1546785"	393.073458	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+K"	38.963158
"309430"	374.095517	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+H+K"	39.970434
"698569"	551.150667	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+H+K"	39.970434
"1451294"	197.040367	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H+K"	39.970434
"242082"	750.254426	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+ACN+H"	42.033826
"1220259"	396.144126	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+ACN+H"	42.033826
"1203049"	198.575701	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+ACN+2H"	43.041102
"197014"	753.19176	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+2Na-H"	44.97116
"632200"	1107.30206	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+2Na-H"	44.97116
"1135706"	399.08146	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2Na-H"	44.97116
"176807"	377.099518	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+2Na"	45.978436
"618553"	554.154668	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+2Na"	45.978436
"1118781"	200.044368	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2Na"	45.978436
"1402302"	133.698670666667	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H+2Na"	46.985712
"1435512"	401.123046	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H+HCOOH"	47.012746
"224119"	382.13254	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+3H2O+2H"	56.04448
"1517651"	415.17509	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+IsoProp+H"	61.06479
"416243"	385.086488	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+Na+K"	61.952376
"778330"	562.141638	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+Na+K"	61.952376
"1672477"	208.031338	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Na+K"	61.952376
"260096"	772.236368	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+ACN+Na"	64.015768
"1226972"	418.126068	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+ACN+Na"	64.015768
"1717318"	418.149593	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+NH4+HCOOH"	64.039293
"1182670"	141.025984666667	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+3Na"	68.967654
"1656940"	423.104988	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Na+HCOOH"	68.994688
"163801"	785.13964	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+2K-H"	76.91904
"605549"	1139.24994	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+2K-H"	76.91904
"1088969"	431.02934	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2K-H"	76.91904
"143598"	393.073458	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"2M+2K"	77.926316
"592280"	570.128608	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"3M+2K"	77.926316
"1078610"	216.018308	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2K"	77.926316
"1105257"	433.043892	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2K+H"	78.933592
"1343829"	433.131507	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+DMSO+H"	79.021207
"1013456"	437.170676	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2ACN+H"	83.060376
"1530487"	438.164308	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+IsoProp+Na+H"	84.054008
"991466"	219.088976	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+2ACN+2H"	84.067652
"1592534"	439.078928	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+K+HCOOH"	84.968628
"1419286"	469.110438	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+H+CF3COOH"	115.000138
"1148483"	239.602251	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+3ACN+2H"	125.094202
"1698398"	486.136985	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+NH4+CF3COOH"	132.026685
"1639155"	491.09238	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+Na+CF3COOH"	136.98208
"1583556"	507.06632	"C10882"	"Sesamin"	"C20H18O6"	"354.1103"	"M+K+CF3COOH"	152.95602
"817053"	372.1209	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M"	0
"985267"	353.10251	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-H2O-H"	-19.01839
"77403"	247.073324	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M-3H"	-3.021828
"514165"	371.113624	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M-3H"	-3.021828
"885410"	123.033024	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-3H"	-3.021828
"9450"	371.113624	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M-2H"	-2.014552
"451195"	557.174074	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M-2H"	-2.014552
"822435"	185.053174	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-2H"	-2.014552
"85708"	743.234524	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M-H"	-1.007276
"520894"	1115.355424	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M-H"	-1.007276
"896630"	371.113624	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-H"	-1.007276
"49418"	760.261071	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M-2H+NH4"	16.019271
"491165"	1132.381971	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M-2H+NH4"	16.019271
"869348"	388.140171	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-2H+NH4"	16.019271
"40528"	765.216466	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M-2H+Na"	20.974666
"477904"	1137.337366	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M-2H+Na"	20.974666
"858986"	393.095566	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-2H+Na"	20.974666
"1626332"	393.095566	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Na-2H"	20.974666
"106143"	389.101963	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M-H+Cl"	33.962126
"541328"	575.162413	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M-H+Cl"	33.962126
"932657"	203.041513	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-H+Cl"	33.962126
"271576"	779.211202	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+Cl"	34.969402
"661932"	1151.332102	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+Cl"	34.969402
"1274945"	407.090302	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Cl"	34.969402
"25158"	781.190406	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M-2H+K"	36.948606
"462533"	1153.311306	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M-2H+K"	36.948606
"840335"	409.069506	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-2H+K"	36.948606
"1560540"	409.069506	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+K-2H"	36.948606
"943682"	417.119094	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-H+HCOOH"	44.998194
"363356"	789.240001	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+HCOOH-H"	44.998201
"347604"	803.255651	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+Hac-H"	59.013851
"1494981"	431.134751	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Hac-H"	59.013851
"959970"	439.101051	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-H+NaCOOH"	66.980151
"111066"	407.090302	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+2Cl"	69.938804
"550739"	593.150752	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+2Cl"	69.938804
"1024894"	221.029852	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2Cl"	69.938804
"1251401"	451.039785	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Br"	78.918885
"1316036"	453.095772	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Cl+HCOOH"	80.974872
"1325877"	475.077729	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Cl+NaCOOH"	102.956829
"920218"	485.106486	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M-H+CF3COOH"	112.985586
"1294738"	521.083164	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Cl+CF3COOH"	148.962264
"1376547"	337.108224	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H-2H2O"	-35.012676
"1383476"	355.1182	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H-H2O"	-17.0027
"294467"	745.249076	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+H"	1.007276
"685793"	1117.369976	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+H"	1.007276
"1364328"	373.128176	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H"	1.007276
"127377"	373.128176	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+2H"	2.014552
"570218"	559.188626	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+2H"	2.014552
"1041203"	187.067726	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2H"	2.014552
"207283"	249.087876	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+3H"	3.021828
"644777"	373.128176	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+3H"	3.021828
"1163142"	125.047576	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+3H"	3.021828
"424956"	762.275623	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+NH4"	18.033823
"785747"	1134.396523	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+NH4"	18.033823
"1681674"	390.154723	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+NH4"	18.033823
"330075"	381.6414495	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+H+NH4"	19.041099
"723713"	567.7018995	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+H+NH4"	19.041099
"1477406"	195.5809995	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H+NH4"	19.041099
"394027"	767.231018	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+Na"	22.989218
"754782"	1139.351918	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+Na"	22.989218
"1604215"	395.110118	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Na"	22.989218
"315101"	384.119147	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+H+Na"	23.996494
"708375"	570.179597	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+H+Na"	23.996494
"1463046"	198.058697	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H+Na"	23.996494
"1055562"	132.37489	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2H+Na"	25.00377
"1263081"	405.154386	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+CH3OH+H"	33.033486
"382749"	783.204958	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+K"	38.963158
"742652"	1155.325858	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+K"	38.963158
"1543615"	411.084058	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+K"	38.963158
"306259"	392.106117	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+H+K"	39.970434
"698680"	578.166567	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+H+K"	39.970434
"1453593"	206.045667	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H+K"	39.970434
"241100"	786.275626	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+ACN+H"	42.033826
"1212715"	414.154726	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+ACN+H"	42.033826
"1204252"	207.581001	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+ACN+2H"	43.041102
"197124"	789.21296	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+2Na-H"	44.97116
"632311"	1161.33386	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+2Na-H"	44.97116
"1140190"	417.09206	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2Na-H"	44.97116
"181293"	395.110118	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+2Na"	45.978436
"618666"	581.170568	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+2Na"	45.978436
"1121080"	209.049668	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2Na"	45.978436
"1404601"	139.702204	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H+2Na"	46.985712
"1433438"	419.133646	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H+HCOOH"	47.012746
"222042"	400.14314	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+3H2O+2H"	56.04448
"1515575"	433.18569	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+IsoProp+H"	61.06479
"415261"	403.097088	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+Na+K"	61.952376
"776258"	589.157538	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+Na+K"	61.952376
"1669310"	217.036638	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Na+K"	61.952376
"258020"	808.257568	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+ACN+Na"	64.015768
"1231823"	436.136668	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+ACN+Na"	64.015768
"1715242"	436.160193	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+NH4+HCOOH"	64.039293
"1183876"	147.029518	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+3Na"	68.967654
"1657050"	441.115588	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Na+HCOOH"	68.994688
"161725"	821.16084	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+2K-H"	76.91904
"602379"	1193.28174	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+2K-H"	76.91904
"1093453"	449.03994	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2K-H"	76.91904
"148083"	411.084058	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"2M+2K"	77.926316
"587645"	597.144508	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"3M+2K"	77.926316
"1078720"	225.023608	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2K"	77.926316
"1110837"	451.054492	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2K+H"	78.933592
"1341752"	451.142107	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+DMSO+H"	79.021207
"1012471"	455.181276	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2ACN+H"	83.060376
"1533878"	456.174908	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+IsoProp+Na+H"	84.054008
"992671"	228.094276	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+2ACN+2H"	84.067652
"1594833"	457.089528	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+K+HCOOH"	84.968628
"1424870"	487.121038	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+H+CF3COOH"	115.000138
"1155156"	248.607551	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+3ACN+2H"	125.094202
"1707989"	504.147585	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+NH4+CF3COOH"	132.026685
"1639265"	509.10298	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+Na+CF3COOH"	136.98208
"1574918"	525.07692	"C10883"	"Sesamolinol"	"C20H20O7"	"372.1209"	"M+K+CF3COOH"	152.95602
"816221"	430.1628	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M"	0
"983191"	411.14441	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-H2O-H"	-19.01839
"65965"	285.767924	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M-3H"	-3.021828
"503341"	429.155524	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M-3H"	-3.021828
"883328"	142.380324	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-3H"	-3.021828
"1904"	429.155524	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M-2H"	-2.014552
"443649"	644.236924	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M-2H"	-2.014552
"817561"	214.074124	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-2H"	-2.014552
"78922"	859.318324	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M-H"	-1.007276
"518685"	1289.481124	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M-H"	-1.007276
"895929"	429.155524	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-H"	-1.007276
"49161"	876.344871	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M-2H+NH4"	16.019271
"488723"	1306.507671	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M-2H+NH4"	16.019271
"871645"	446.182071	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-2H+NH4"	16.019271
"37358"	881.300266	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M-2H+Na"	20.974666
"478014"	1311.463066	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M-2H+Na"	20.974666
"856909"	451.137466	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-2H+Na"	20.974666
"1624255"	451.137466	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Na-2H"	20.974666
"101879"	447.143863	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M-H+Cl"	33.962126
"540344"	662.225263	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M-H+Cl"	33.962126
"927249"	232.062463	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-H+Cl"	33.962126
"267170"	895.295002	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+Cl"	34.969402
"662285"	1325.457802	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+Cl"	34.969402
"1274326"	465.132202	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Cl"	34.969402
"25268"	897.274206	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M-2H+K"	36.948606
"468841"	1327.437006	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M-2H+K"	36.948606
"847005"	467.111406	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-2H+K"	36.948606
"1561745"	467.111406	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+K-2H"	36.948606
"944160"	475.160994	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-H+HCOOH"	44.998194
"362860"	905.323801	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+HCOOH-H"	44.998201
"347716"	919.339451	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+Hac-H"	59.013851
"1492762"	489.176651	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Hac-H"	59.013851
"960812"	497.142951	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-H+NaCOOH"	66.980151
"111054"	465.132202	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+2Cl"	69.938804
"550037"	680.213602	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+2Cl"	69.938804
"1024640"	250.050802	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2Cl"	69.938804
"1251511"	509.081685	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Br"	78.918885
"1315053"	511.137672	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Cl+HCOOH"	80.974872
"1325987"	533.119629	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Cl+NaCOOH"	102.956829
"920329"	543.148386	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M-H+CF3COOH"	112.985586
"1294848"	579.125064	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Cl+CF3COOH"	148.962264
"1377385"	395.150124	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H-2H2O"	-35.012676
"1383017"	413.1601	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H-H2O"	-17.0027
"294577"	861.332876	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+H"	1.007276
"684810"	1291.495676	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+H"	1.007276
"1366140"	431.170076	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H"	1.007276
"132954"	431.170076	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+2H"	2.014552
"570328"	646.251476	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+2H"	2.014552
"1044594"	216.088676	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2H"	2.014552
"209579"	287.782476	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+3H"	3.021828
"646952"	431.170076	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+3H"	3.021828
"1163250"	144.394876	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+3H"	3.021828
"424453"	878.359423	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+NH4"	18.033823
"785938"	1308.522223	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+NH4"	18.033823
"1681458"	448.196623	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+NH4"	18.033823
"330795"	439.6833495	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+H+NH4"	19.041099
"723091"	654.7647495	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+H+NH4"	19.041099
"1477435"	224.6019495	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H+NH4"	19.041099
"393159"	883.314818	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+Na"	22.989218
"755135"	1313.477618	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+Na"	22.989218
"1604324"	453.152018	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Na"	22.989218
"314602"	442.161047	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+H+Na"	23.996494
"707346"	657.242447	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+H+Na"	23.996494
"1461774"	227.079647	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H+Na"	23.996494
"1056038"	151.72219	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2H+Na"	25.00377
"1261005"	463.196286	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+CH3OH+H"	33.033486
"379213"	899.288758	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+K"	38.963158
"740939"	1329.451558	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+K"	38.963158
"1540806"	469.125958	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+K"	38.963158
"299804"	450.148017	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+H+K"	39.970434
"695507"	665.229417	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+H+K"	39.970434
"1447140"	235.066617	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H+K"	39.970434
"239022"	902.359426	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+ACN+H"	42.033826
"1211851"	472.196626	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+ACN+H"	42.033826
"1194203"	236.601951	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+ACN+2H"	43.041102
"192861"	905.29676	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+2Na-H"	44.97116
"629382"	1335.45956	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+2Na-H"	44.97116
"1131790"	475.13396	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2Na-H"	44.97116
"173991"	453.152018	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+2Na"	45.978436
"613429"	668.233418	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+2Na"	45.978436
"1116126"	238.070618	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2Na"	45.978436
"1398914"	159.049504	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H+2Na"	46.985712
"1430343"	477.175546	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H+HCOOH"	47.012746
"221543"	458.18504	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+3H2O+2H"	56.04448
"1515685"	491.22759	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+IsoProp+H"	61.06479
"416465"	461.138988	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+Na+K"	61.952376
"779648"	676.220388	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+Na+K"	61.952376
"1669420"	246.057588	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Na+K"	61.952376
"253755"	924.341368	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+ACN+Na"	64.015768
"1229745"	494.178568	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+ACN+Na"	64.015768
"1714257"	494.202093	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+NH4+HCOOH"	64.039293
"1180706"	166.376818	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+3Na"	68.967654
"1651693"	499.157488	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Na+HCOOH"	68.994688
"161835"	937.24464	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+2K-H"	76.91904
"602489"	1367.40744	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+2K-H"	76.91904
"1089189"	507.08184	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2K-H"	76.91904
"146006"	469.125958	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"2M+2K"	77.926316
"586662"	684.207358	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"3M+2K"	77.926316
"1075550"	254.044558	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2K"	77.926316
"1106573"	509.096392	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2K+H"	78.933592
"1338583"	509.184007	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+DMSO+H"	79.021207
"1012582"	513.223176	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2ACN+H"	83.060376
"1526333"	514.216808	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+IsoProp+Na+H"	84.054008
"993875"	257.115226	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+2ACN+2H"	84.067652
"1594942"	515.131428	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+K+HCOOH"	84.968628
"1424981"	545.162938	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+H+CF3COOH"	115.000138
"1153079"	277.628501	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+3ACN+2H"	125.094202
"1708099"	562.189485	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+NH4+CF3COOH"	132.026685
"1637188"	567.14488	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+Na+CF3COOH"	136.98208
"1583776"	583.11882	"C10884"	"Sesartemin"	"C23H26O8"	"430.1628"	"M+K+CF3COOH"	152.95602
"815966"	518.1788	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M"	0
"981114"	499.16041	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-H2O-H"	-19.01839
"67168"	344.445257333333	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M-3H"	-3.021828
"508918"	517.171524	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M-3H"	-3.021828
"886718"	171.718990666667	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-3H"	-3.021828
"3107"	517.171524	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M-2H"	-2.014552
"444852"	776.260924	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M-2H"	-2.014552
"817465"	258.082124	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-2H"	-2.014552
"79481"	1035.350324	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M-H"	-1.007276
"519643"	1553.529124	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M-H"	-1.007276
"895914"	517.171524	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-H"	-1.007276
"49511"	1052.376871	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M-2H+NH4"	16.019271
"489927"	1570.555671	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M-2H+NH4"	16.019271
"867118"	534.198071	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-2H+NH4"	16.019271
"40748"	1057.332266	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M-2H+Na"	20.974666
"478124"	1575.511066	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M-2H+Na"	20.974666
"858112"	539.153466	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-2H+Na"	20.974666
"1624365"	539.153466	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Na-2H"	20.974666
"101989"	535.159863	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M-H+Cl"	33.962126
"540454"	794.249263	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M-H+Cl"	33.962126
"927157"	276.070463	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-H+Cl"	33.962126
"267896"	1071.327002	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+Cl"	34.969402
"662395"	1589.505802	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+Cl"	34.969402
"1272824"	553.148202	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Cl"	34.969402
"25378"	1073.306206	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M-2H+K"	36.948606
"468951"	1591.485006	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M-2H+K"	36.948606
"843836"	555.127406	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-2H+K"	36.948606
"1561855"	555.127406	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+K-2H"	36.948606
"945362"	563.176994	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-H+HCOOH"	44.998194
"363576"	1081.355801	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+HCOOH-H"	44.998201
"348553"	1095.371451	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+Hac-H"	59.013851
"1493740"	577.192651	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Hac-H"	59.013851
"963838"	585.158951	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-H+NaCOOH"	66.980151
"112015"	553.148202	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+2Cl"	69.938804
"550311"	812.237602	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+2Cl"	69.938804
"1021822"	294.058802	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2Cl"	69.938804
"1249435"	597.097685	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Br"	78.918885
"1312977"	599.153672	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Cl+HCOOH"	80.974872
"1325004"	621.135629	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Cl+NaCOOH"	102.956829
"920439"	631.164386	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M-H+CF3COOH"	112.985586
"1292772"	667.141064	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Cl+CF3COOH"	148.962264
"1377495"	483.166124	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H-2H2O"	-35.012676
"1382826"	501.1761	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H-H2O"	-17.0027
"294688"	1037.364876	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+H"	1.007276
"684920"	1555.543676	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+H"	1.007276
"1365642"	519.186076	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H"	1.007276
"133064"	519.186076	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+2H"	2.014552
"572625"	778.275476	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+2H"	2.014552
"1045797"	260.096676	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2H"	2.014552
"209689"	346.459809333333	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+3H"	3.021828
"647062"	519.186076	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+3H"	3.021828
"1164095"	173.733542666667	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+3H"	3.021828
"425052"	1054.391423	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+NH4"	18.033823
"786294"	1572.570223	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+NH4"	18.033823
"1681650"	536.212623	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+NH4"	18.033823
"332606"	527.6993495	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+H+NH4"	19.041099
"724054"	786.7887495	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+H+NH4"	19.041099
"1477385"	268.6099495	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H+NH4"	19.041099
"394004"	1059.346818	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+Na"	22.989218
"755973"	1577.525618	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+Na"	22.989218
"1605892"	541.168018	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Na"	22.989218
"315321"	530.177047	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+H+Na"	23.996494
"708107"	789.266447	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+H+Na"	23.996494
"1461600"	271.087647	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H+Na"	23.996494
"1054689"	181.060856666667	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2H+Na"	25.00377
"1260386"	551.212286	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+CH3OH+H"	33.033486
"379323"	1075.320758	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+K"	38.963158
"740685"	1593.499558	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+K"	38.963158
"1542739"	557.141958	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+K"	38.963158
"298819"	538.164017	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+H+K"	39.970434
"695617"	797.253417	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+H+K"	39.970434
"1446521"	279.074617	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H+K"	39.970434
"237309"	1078.391426	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+ACN+H"	42.033826
"1212934"	560.212626	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+ACN+H"	42.033826
"1197179"	280.609951	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+ACN+2H"	43.041102
"189810"	1081.32876	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+2Na-H"	44.97116
"630099"	1599.50756	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+2Na-H"	44.97116
"1132146"	563.14996	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2Na-H"	44.97116
"174344"	541.168018	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+2Na"	45.978436
"615604"	800.257418	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+2Na"	45.978436
"1118016"	282.078618	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2Na"	45.978436
"1399108"	188.388170666667	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H+2Na"	46.985712
"1430170"	565.191546	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H+HCOOH"	47.012746
"221290"	546.20104	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+3H2O+2H"	56.04448
"1517983"	579.24359	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+IsoProp+H"	61.06479
"417669"	549.154988	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+Na+K"	61.952376
"781945"	808.244388	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+Na+K"	61.952376
"1674997"	290.065588	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Na+K"	61.952376
"256053"	1100.373368	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+ACN+Na"	64.015768
"1228762"	582.194568	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+ACN+Na"	64.015768
"1715462"	582.218093	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+NH4+HCOOH"	64.039293
"1181909"	195.715484666667	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+3Na"	68.967654
"1652166"	587.173488	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Na+HCOOH"	68.994688
"163038"	1113.27664	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+2K-H"	76.91904
"601505"	1631.45544	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+2K-H"	76.91904
"1089299"	595.09784	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2K-H"	76.91904
"142836"	557.141958	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"2M+2K"	77.926316
"586771"	816.231358	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"3M+2K"	77.926316
"1076753"	298.052558	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2K"	77.926316
"1108870"	597.112392	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2K+H"	78.933592
"1339787"	597.200007	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+DMSO+H"	79.021207
"1014879"	601.239176	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2ACN+H"	83.060376
"1528630"	602.232808	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+IsoProp+Na+H"	84.054008
"992891"	301.123226	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+2ACN+2H"	84.067652
"1596145"	603.147428	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+K+HCOOH"	84.968628
"1426184"	633.178938	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+H+CF3COOH"	115.000138
"1153189"	321.636501	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+3ACN+2H"	125.094202
"1704930"	650.205485	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+NH4+CF3COOH"	132.026685
"1637298"	655.16088	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+Na+CF3COOH"	136.98208
"1583886"	671.13482	"C10885"	"Simplexoside"	"C26H30O11"	"518.1788"	"M+K+CF3COOH"	152.95602
"814253"	456.142	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M"	0
"981224"	437.12361	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-H2O-H"	-19.01839
"67278"	303.087390666667	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M-3H"	-3.021828
"509028"	455.134724	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M-3H"	-3.021828
"882455"	151.040057333333	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-3H"	-3.021828
"3217"	455.134724	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M-2H"	-2.014552
"441683"	683.205724	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M-2H"	-2.014552
"817156"	227.063724	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-2H"	-2.014552
"80564"	911.276724	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M-H"	-1.007276
"520853"	1367.418724	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M-H"	-1.007276
"896952"	455.134724	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-H"	-1.007276
"51206"	928.303271	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M-2H+NH4"	16.019271
"490765"	1384.445271	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M-2H+NH4"	16.019271
"868931"	472.161271	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-2H+NH4"	16.019271
"32823"	933.258666	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M-2H+Na"	20.974666
"472992"	1389.400666	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M-2H+Na"	20.974666
"856036"	477.116666	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-2H+Na"	20.974666
"1625568"	477.116666	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Na-2H"	20.974666
"99913"	473.123063	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M-H+Cl"	33.962126
"540564"	701.194063	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M-H+Cl"	33.962126
"927470"	245.052063	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-H+Cl"	33.962126
"268247"	947.253402	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+Cl"	34.969402
"662140"	1403.395402	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+Cl"	34.969402
"1273598"	491.111402	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Cl"	34.969402
"26581"	949.232606	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M-2H+K"	36.948606
"463956"	1405.374606	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M-2H+K"	36.948606
"840663"	493.090606	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-2H+K"	36.948606
"1561965"	493.090606	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+K-2H"	36.948606
"944741"	501.140194	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-H+HCOOH"	44.998194
"363319"	957.282201	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+HCOOH-H"	44.998201
"347201"	971.297851	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+Hac-H"	59.013851
"1494935"	515.155851	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Hac-H"	59.013851
"958959"	523.122151	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-H+NaCOOH"	66.980151
"110419"	491.111402	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+2Cl"	69.938804
"550463"	719.182402	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+2Cl"	69.938804
"1022091"	263.040402	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2Cl"	69.938804
"1241632"	535.060885	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Br"	78.918885
"1304525"	537.116872	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Cl+HCOOH"	80.974872
"1321832"	559.098829	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Cl+NaCOOH"	102.956829
"923829"	569.127586	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M-H+CF3COOH"	112.985586
"1291787"	605.104264	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Cl+CF3COOH"	148.962264
"1372138"	421.129324	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H-2H2O"	-35.012676
"1384167"	439.1393	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H-H2O"	-17.0027
"291517"	913.291276	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+H"	1.007276
"685030"	1369.433276	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+H"	1.007276
"1364659"	457.149276	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H"	1.007276
"129894"	457.149276	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+2H"	2.014552
"576015"	685.220276	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+2H"	2.014552
"1045908"	229.078276	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2H"	2.014552
"210893"	305.101942666667	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+3H"	3.021828
"647173"	457.149276	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+3H"	3.021828
"1164934"	153.054609333333	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+3H"	3.021828
"426018"	930.317823	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+NH4"	18.033823
"786041"	1386.459823	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+NH4"	18.033823
"1681766"	474.175823	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+NH4"	18.033823
"331623"	465.6625495	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+H+NH4"	19.041099
"724408"	693.7335495	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+H+NH4"	19.041099
"1477062"	237.5915495	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H+NH4"	19.041099
"395816"	935.273218	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+Na"	22.989218
"755719"	1391.415218	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+Na"	22.989218
"1604909"	479.131218	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Na"	22.989218
"317133"	468.140247	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+H+Na"	23.996494
"709192"	696.211247	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+H+Na"	23.996494
"1464107"	240.069247	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H+Na"	23.996494
"1054799"	160.381923333333	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2H+Na"	25.00377
"1259767"	489.175486	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+CH3OH+H"	33.033486
"378705"	951.247158	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+K"	38.963158
"745170"	1407.389158	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+K"	38.963158
"1543942"	495.105158	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+K"	38.963158
"304399"	476.127217	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+H+K"	39.970434
"696091"	704.198217	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+H+K"	39.970434
"1450642"	248.056217	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H+K"	39.970434
"237054"	954.317826	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+ACN+H"	42.033826
"1210855"	498.175826	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+ACN+H"	42.033826
"1196562"	249.591551	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+ACN+2H"	43.041102
"191985"	957.25516	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+2Na-H"	44.97116
"633731"	1413.39716	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+2Na-H"	44.97116
"1138329"	501.11316	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2Na-H"	44.97116
"178339"	479.131218	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+2Na"	45.978436
"617899"	707.202218	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+2Na"	45.978436
"1122498"	251.060218	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2Na"	45.978436
"1406024"	167.709237333333	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H+2Na"	46.985712
"1440326"	503.154746	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H+HCOOH"	47.012746
"221279"	484.16424	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+3H2O+2H"	56.04448
"1516999"	517.20679	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+IsoProp+H"	61.06479
"416687"	487.118188	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+Na+K"	61.952376
"776588"	715.189188	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+Na+K"	61.952376
"1672921"	259.047188	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Na+K"	61.952376
"256158"	976.299768	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+ACN+Na"	64.015768
"1229965"	520.157768	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+ACN+Na"	64.015768
"1716665"	520.181293	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+NH4+HCOOH"	64.039293
"1183112"	175.036551333333	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+3Na"	68.967654
"1653005"	525.136688	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Na+HCOOH"	68.994688
"159867"	989.20304	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+2K-H"	76.91904
"602709"	1445.34504	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+2K-H"	76.91904
"1086129"	533.06104	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2K-H"	76.91904
"142946"	495.105158	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"2M+2K"	77.926316
"586881"	723.176158	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"3M+2K"	77.926316
"1068879"	267.034158	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2K"	77.926316
"1110073"	535.075592	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2K+H"	78.933592
"1339897"	535.163207	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+DMSO+H"	79.021207
"1016082"	539.202376	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2ACN+H"	83.060376
"1525092"	540.196008	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+IsoProp+Na+H"	84.054008
"991908"	270.104826	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+2ACN+2H"	84.067652
"1592974"	541.110628	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+K+HCOOH"	84.968628
"1427387"	571.142138	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+H+CF3COOH"	115.000138
"1154392"	290.618101	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+3ACN+2H"	125.094202
"1706133"	588.168685	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+NH4+CF3COOH"	132.026685
"1636315"	593.12408	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+Na+CF3COOH"	136.98208
"1583996"	609.09802	"C10886"	"Steganacin;(-)-Steganacin"	"C24H24O9"	"456.142"	"M+K+CF3COOH"	152.95602
"816185"	370.1053	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M"	0
"981334"	351.08691	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-H2O-H"	-19.01839
"69575"	245.729590666667	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M-3H"	-3.021828
"511325"	369.098024	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M-3H"	-3.021828
"882565"	122.361157333333	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-3H"	-3.021828
"1141"	369.098024	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M-2H"	-2.014552
"445073"	554.150674	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M-2H"	-2.014552
"819592"	184.045374	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-2H"	-2.014552
"83953"	739.203324	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M-H"	-1.007276
"522422"	1109.308624	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M-H"	-1.007276
"896578"	369.098024	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-H"	-1.007276
"51316"	756.229871	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M-2H+NH4"	16.019271
"491969"	1126.335171	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M-2H+NH4"	16.019271
"871957"	386.124571	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-2H+NH4"	16.019271
"33179"	761.185266	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M-2H+Na"	20.974666
"473467"	1131.290566	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M-2H+Na"	20.974666
"857239"	391.079966	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-2H+Na"	20.974666
"1625678"	391.079966	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Na-2H"	20.974666
"100023"	387.086363	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M-H+Cl"	33.962126
"540674"	572.139013	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M-H+Cl"	33.962126
"934189"	202.033713	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-H+Cl"	33.962126
"267880"	775.180002	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+Cl"	34.969402
"661886"	1145.285302	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+Cl"	34.969402
"1273188"	405.074702	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Cl"	34.969402
"24504"	777.159206	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M-2H+K"	36.948606
"458230"	1147.264506	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M-2H+K"	36.948606
"838587"	407.053906	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-2H+K"	36.948606
"1562075"	407.053906	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+K-2H"	36.948606
"943633"	415.103494	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-H+HCOOH"	44.998194
"363790"	785.208801	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+HCOOH-H"	44.998201
"347308"	799.224451	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+Hac-H"	59.013851
"1494681"	429.119151	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Hac-H"	59.013851
"960765"	437.085451	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-H+NaCOOH"	66.980151
"111861"	405.074702	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+2Cl"	69.938804
"552149"	590.127352	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+2Cl"	69.938804
"1022288"	220.022052	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2Cl"	69.938804
"1242230"	449.024185	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Br"	78.918885
"1305773"	451.080172	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Cl+HCOOH"	80.974872
"1322298"	473.062129	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Cl+NaCOOH"	102.956829
"914449"	483.090886	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M-H+CF3COOH"	112.985586
"1291532"	519.067564	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Cl+CF3COOH"	148.962264
"1372248"	335.092624	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H-2H2O"	-35.012676
"1383183"	353.1026	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H-H2O"	-17.0027
"291627"	741.217876	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+H"	1.007276
"684047"	1111.323176	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+H"	1.007276
"1359302"	371.112576	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H"	1.007276
"130004"	371.112576	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+2H"	2.014552
"571752"	556.165226	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+2H"	2.014552
"1042738"	186.059926	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2H"	2.014552
"209546"	247.744142666667	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+3H"	3.021828
"647283"	371.112576	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+3H"	3.021828
"1165044"	124.375709333333	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+3H"	3.021828
"425399"	758.244423	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+NH4"	18.033823
"787123"	1128.349723	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+NH4"	18.033823
"1681870"	388.139123	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+NH4"	18.033823
"330191"	379.6258495	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+H+NH4"	19.041099
"724155"	564.6784995	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+H+NH4"	19.041099
"1478703"	194.5731995	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H+NH4"	19.041099
"394833"	763.199818	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+Na"	22.989218
"757649"	1133.305118	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+Na"	22.989218
"1607569"	393.094518	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Na"	22.989218
"317971"	382.103547	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+H+Na"	23.996494
"710396"	567.156197	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+H+Na"	23.996494
"1464216"	197.050897	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H+Na"	23.996494
"1058553"	131.703023333333	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2H+Na"	25.00377
"1259877"	403.138786	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+CH3OH+H"	33.033486
"379908"	779.173758	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+K"	38.963158
"745280"	1149.279058	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+K"	38.963158
"1548427"	409.068458	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+K"	38.963158
"304511"	390.090517	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+H+K"	39.970434
"700215"	575.143167	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+H+K"	39.970434
"1449662"	205.037867	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H+K"	39.970434
"240448"	782.244426	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+ACN+H"	42.033826
"1213518"	412.139126	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+ACN+H"	42.033826
"1198131"	206.573201	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+ACN+2H"	43.041102
"193188"	785.18176	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+2Na-H"	44.97116
"637120"	1155.28706	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+2Na-H"	44.97116
"1140626"	415.07646	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2Na-H"	44.97116
"185009"	393.094518	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+2Na"	45.978436
"620196"	578.147168	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+2Na"	45.978436
"1128441"	208.041868	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2Na"	45.978436
"1412328"	139.030337333333	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H+2Na"	46.985712
"1443354"	417.118046	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H+HCOOH"	47.012746
"221389"	398.12754	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+3H2O+2H"	56.04448
"1517109"	431.17009	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+IsoProp+H"	61.06479
"420806"	401.081488	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+Na+K"	61.952376
"774510"	586.134138	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+Na+K"	61.952376
"1671936"	216.028838	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Na+K"	61.952376
"255175"	804.226368	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+ACN+Na"	64.015768
"1226914"	434.121068	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+ACN+Na"	64.015768
"1713493"	434.144593	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+NH4+HCOOH"	64.039293
"1179212"	146.357651333333	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+3Na"	68.967654
"1653114"	439.099988	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Na+HCOOH"	68.994688
"158030"	817.12964	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+2K-H"	76.91904
"602819"	1187.23494	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+2K-H"	76.91904
"1085146"	447.02434	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2K-H"	76.91904
"142568"	409.068458	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"2M+2K"	77.926316
"584804"	594.121108	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"3M+2K"	77.926316
"1069311"	224.015808	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2K"	77.926316
"1110185"	449.038892	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2K+H"	78.933592
"1343288"	449.126507	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+DMSO+H"	79.021207
"1009630"	453.165676	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2ACN+H"	83.060376
"1528850"	454.159308	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+IsoProp+Na+H"	84.054008
"992018"	227.086476	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+2ACN+2H"	84.067652
"1591991"	455.073928	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+K+HCOOH"	84.968628
"1428590"	485.105438	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+H+CF3COOH"	115.000138
"1154503"	247.599751	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+3ACN+2H"	125.094202
"1706243"	502.131985	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+NH4+CF3COOH"	132.026685
"1636425"	507.08738	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+Na+CF3COOH"	136.98208
"1584106"	523.06132	"C10887"	"Styraxin"	"C20H18O7"	"370.1053"	"M+K+CF3COOH"	152.95602
"812286"	388.1886	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M"	0
"978163"	369.17021	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-H2O-H"	-19.01839
"68592"	257.785124	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M-3H"	-3.021828
"508155"	387.181324	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M-3H"	-3.021828
"882675"	128.388924	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-3H"	-3.021828
"1251"	387.181324	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M-2H"	-2.014552
"444090"	581.275624	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M-2H"	-2.014552
"822981"	193.087024	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-2H"	-2.014552
"85159"	775.369924	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M-H"	-1.007276
"526904"	1163.558524	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M-H"	-1.007276
"898149"	387.181324	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-H"	-1.007276
"52521"	792.396471	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M-2H+NH4"	16.019271
"490989"	1180.585071	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M-2H+NH4"	16.019271
"868790"	404.207871	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-2H+NH4"	16.019271
"32199"	797.351866	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M-2H+Na"	20.974666
"472244"	1185.540466	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M-2H+Na"	20.974666
"852976"	409.163266	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-2H+Na"	20.974666
"1624695"	409.163266	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Na-2H"	20.974666
"100133"	405.169663	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M-H+Cl"	33.962126
"540785"	599.263963	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M-H+Cl"	33.962126
"932113"	211.075363	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-H+Cl"	33.962126
"268358"	811.346602	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+Cl"	34.969402
"665278"	1199.535202	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+Cl"	34.969402
"1273298"	423.158002	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Cl"	34.969402
"24614"	813.325806	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M-2H+K"	36.948606
"456515"	1201.514406	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M-2H+K"	36.948606
"838697"	425.137206	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-2H+K"	36.948606
"1562185"	425.137206	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+K-2H"	36.948606
"945693"	433.186794	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-H+HCOOH"	44.998194
"363906"	821.375401	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+HCOOH-H"	44.998201
"347060"	835.391051	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+Hac-H"	59.013851
"1495162"	447.202451	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Hac-H"	59.013851
"961978"	455.168751	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-H+NaCOOH"	66.980151
"110760"	423.158002	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+2Cl"	69.938804
"552266"	617.252302	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+2Cl"	69.938804
"1023251"	229.063702	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2Cl"	69.938804
"1242099"	467.107485	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Br"	78.918885
"1307100"	469.163472	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Cl+HCOOH"	80.974872
"1323138"	491.145429	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Cl+NaCOOH"	102.956829
"914926"	501.174186	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M-H+CF3COOH"	112.985586
"1291999"	537.150864	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Cl+CF3COOH"	148.962264
"1372358"	353.175924	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H-2H2O"	-35.012676
"1383904"	371.1859	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H-H2O"	-17.0027
"289549"	777.384476	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+H"	1.007276
"678690"	1165.573076	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+H"	1.007276
"1360506"	389.195876	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H"	1.007276
"127198"	389.195876	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+2H"	2.014552
"575143"	583.290176	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+2H"	2.014552
"1045036"	195.101576	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2H"	2.014552
"208198"	259.799676	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+3H"	3.021828
"646299"	389.195876	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+3H"	3.021828
"1166612"	130.403476	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+3H"	3.021828
"425145"	794.411023	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+NH4"	18.033823
"788694"	1182.599623	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+NH4"	18.033823
"1682230"	406.222423	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+NH4"	18.033823
"331602"	397.7091495	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+H+NH4"	19.041099
"726451"	591.8034495	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+H+NH4"	19.041099
"1479542"	203.6148495	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H+NH4"	19.041099
"397857"	799.366418	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+Na"	22.989218
"759217"	1187.555018	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+Na"	22.989218
"1608047"	411.177818	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Na"	22.989218
"318448"	400.186847	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+H+Na"	23.996494
"711599"	594.281147	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+H+Na"	23.996494
"1467605"	206.092547	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H+Na"	23.996494
"1058664"	137.73079	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2H+Na"	25.00377
"1259257"	421.222086	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+CH3OH+H"	33.033486
"378439"	815.340358	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+K"	38.963158
"743204"	1203.528958	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+K"	38.963158
"1547445"	427.151758	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+K"	38.963158
"306808"	408.173817	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+H+K"	39.970434
"702512"	602.268117	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+H+K"	39.970434
"1449769"	214.079517	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H+K"	39.970434
"240558"	818.411026	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+ACN+H"	42.033826
"1212535"	430.222426	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+ACN+H"	42.033826
"1200426"	215.614851	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+ACN+2H"	43.041102
"197670"	821.34836	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+2Na-H"	44.97116
"637233"	1209.53696	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+2Na-H"	44.97116
"1143656"	433.15976	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2Na-H"	44.97116
"186214"	411.177818	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+2Na"	45.978436
"624316"	605.272118	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+2Na"	45.978436
"1130010"	217.083518	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2Na"	45.978436
"1413496"	145.058104	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H+2Na"	46.985712
"1444558"	435.201346	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H+HCOOH"	47.012746
"221010"	416.21084	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+3H2O+2H"	56.04448
"1517219"	449.25339	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+IsoProp+H"	61.06479
"421280"	419.164788	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+Na+K"	61.952376
"775713"	613.259088	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+Na+K"	61.952376
"1670952"	225.070488	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Na+K"	61.952376
"260754"	840.392968	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+ACN+Na"	64.015768
"1227024"	452.204368	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+ACN+Na"	64.015768
"1713724"	452.227893	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+NH4+HCOOH"	64.039293
"1182238"	152.385418	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+3Na"	68.967654
"1653224"	457.183288	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Na+HCOOH"	68.994688
"159233"	853.29624	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+2K-H"	76.91904
"601834"	1241.48484	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+2K-H"	76.91904
"1088531"	465.10764	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2K-H"	76.91904
"147538"	427.151758	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"2M+2K"	77.926316
"587097"	621.246058	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"3M+2K"	77.926316
"1070150"	233.057458	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2K"	77.926316
"1104825"	467.122192	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2K+H"	78.933592
"1343398"	467.209807	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+DMSO+H"	79.021207
"1009740"	471.248976	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2ACN+H"	83.060376
"1526773"	472.242608	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+IsoProp+Na+H"	84.054008
"990539"	236.128126	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+2ACN+2H"	84.067652
"1592100"	473.157228	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+K+HCOOH"	84.968628
"1427607"	503.188738	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+H+CF3COOH"	115.000138
"1153519"	256.641401	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+3ACN+2H"	125.094202
"1708540"	520.215285	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+NH4+CF3COOH"	132.026685
"1634389"	525.17068	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+Na+CF3COOH"	136.98208
"1584216"	541.14462	"C10888"	"Surinamensin"	"C22H28O6"	"388.1886"	"M+K+CF3COOH"	152.95602
"814582"	418.1628	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M"	0
"981554"	399.14441	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-H2O-H"	-19.01839
"68703"	277.767924	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M-3H"	-3.021828
"512639"	417.155524	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M-3H"	-3.021828
"887163"	138.380324	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-3H"	-3.021828
"7923"	417.155524	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M-2H"	-2.014552
"445294"	626.236924	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M-2H"	-2.014552
"818357"	208.074124	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-2H"	-2.014552
"81264"	835.318324	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M-H"	-1.007276
"521187"	1253.481124	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M-H"	-1.007276
"899351"	417.155524	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-H"	-1.007276
"49718"	852.344871	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M-2H+NH4"	16.019271
"489277"	1270.507671	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M-2H+NH4"	16.019271
"866716"	434.182071	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-2H+NH4"	16.019271
"32554"	857.300266	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M-2H+Na"	20.974666
"471664"	1275.463066	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M-2H+Na"	20.974666
"862928"	439.137466	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-2H+Na"	20.974666
"1625899"	439.137466	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Na-2H"	20.974666
"103522"	435.143863	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M-H+Cl"	33.962126
"544177"	644.225263	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M-H+Cl"	33.962126
"930036"	226.062463	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-H+Cl"	33.962126
"274061"	871.295002	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+Cl"	34.969402
"664295"	1289.457802	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+Cl"	34.969402
"1285448"	453.132202	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Cl"	34.969402
"23630"	873.274206	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M-2H+K"	36.948606
"461003"	1291.437006	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M-2H+K"	36.948606
"837346"	455.111406	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-2H+K"	36.948606
"1560105"	455.111406	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+K-2H"	36.948606
"947990"	463.160994	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-H+HCOOH"	44.998194
"362921"	881.323801	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+HCOOH-H"	44.998201
"348994"	895.339451	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+Hac-H"	59.013851
"1496735"	477.176651	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Hac-H"	59.013851
"961723"	485.142951	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-H+NaCOOH"	66.980151
"111847"	453.132202	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+2Cl"	69.938804
"551648"	662.213602	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+2Cl"	69.938804
"1023726"	244.050802	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2Cl"	69.938804
"1241845"	497.081685	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Br"	78.918885
"1307939"	499.137672	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Cl+HCOOH"	80.974872
"1322155"	521.119629	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Cl+NaCOOH"	102.956829
"913578"	531.148386	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M-H+CF3COOH"	112.985586
"1289921"	567.125064	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Cl+CF3COOH"	148.962264
"1369552"	383.150124	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H-2H2O"	-35.012676
"1384503"	401.1601	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H-H2O"	-17.0027
"292943"	837.332876	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+H"	1.007276
"683176"	1255.495676	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+H"	1.007276
"1361710"	419.170076	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H"	1.007276
"133509"	419.170076	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+2H"	2.014552
"571975"	628.251476	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+2H"	2.014552
"1044054"	210.088676	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2H"	2.014552
"210866"	279.782476	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+3H"	3.021828
"651518"	419.170076	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+3H"	3.021828
"1168546"	140.394876	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+3H"	3.021828
"426717"	854.359423	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+NH4"	18.033823
"790993"	1272.522223	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+NH4"	18.033823
"1685864"	436.196623	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+NH4"	18.033823
"334147"	427.6833495	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+H+NH4"	19.041099
"725836"	636.7647495	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+H+NH4"	19.041099
"1481481"	218.6019495	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H+NH4"	19.041099
"399068"	859.314818	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+Na"	22.989218
"760061"	1277.477618	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+Na"	22.989218
"1608158"	441.152018	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Na"	22.989218
"320383"	430.161047	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+H+Na"	23.996494
"716086"	639.242447	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+H+Na"	23.996494
"1466626"	221.079647	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H+Na"	23.996494
"1058778"	147.72219	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2H+Na"	25.00377
"1265932"	451.196286	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+CH3OH+H"	33.033486
"384507"	875.288758	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+K"	38.963158
"745501"	1293.451558	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+K"	38.963158
"1550472"	457.125958	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+K"	38.963158
"311660"	438.148017	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+H+K"	39.970434
"705906"	647.229417	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+H+K"	39.970434
"1454984"	229.066617	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H+K"	39.970434
"243948"	878.359426	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+ACN+H"	42.033826
"1214470"	460.196626	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+ACN+H"	42.033826
"1203815"	230.601951	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+ACN+2H"	43.041102
"198515"	881.29676	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+2Na-H"	44.97116
"639165"	1299.45956	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+2Na-H"	44.97116
"1144131"	463.13396	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2Na-H"	44.97116
"185598"	441.152018	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+2Na"	45.978436
"626252"	650.233418	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+2Na"	45.978436
"1129391"	232.070618	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2Na"	45.978436
"1412185"	155.049504	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H+2Na"	46.985712
"1440293"	465.175546	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H+HCOOH"	47.012746
"225252"	446.18504	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+3H2O+2H"	56.04448
"1521343"	479.22759	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+IsoProp+H"	61.06479
"420300"	449.138988	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+Na+K"	61.952376
"778013"	658.220388	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+Na+K"	61.952376
"1669972"	240.057588	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Na+K"	61.952376
"259770"	900.341368	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+ACN+Na"	64.015768
"1231386"	482.178568	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+ACN+Na"	64.015768
"1720272"	482.202093	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+NH4+HCOOH"	64.039293
"1182349"	162.376818	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+3Na"	68.967654
"1657708"	487.157488	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Na+HCOOH"	68.994688
"165665"	913.24464	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+2K-H"	76.91904
"603039"	1331.40744	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+2K-H"	76.91904
"1095205"	495.08184	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2K-H"	76.91904
"145463"	457.125958	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"2M+2K"	77.926316
"587209"	666.207358	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"3M+2K"	77.926316
"1072083"	248.044558	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2K"	77.926316
"1100924"	497.096392	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2K+H"	78.933592
"1336695"	497.184007	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+DMSO+H"	79.021207
"1009850"	501.223176	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2ACN+H"	83.060376
"1524691"	502.216808	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+IsoProp+Na+H"	84.054008
"990529"	251.115226	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+2ACN+2H"	84.067652
"1592210"	503.131428	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+K+HCOOH"	84.968628
"1422248"	533.162938	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+H+CF3COOH"	115.000138
"1155815"	271.628501	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+3ACN+2H"	125.094202
"1710837"	550.189485	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+NH4+CF3COOH"	132.026685
"1636645"	555.14488	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+Na+CF3COOH"	136.98208
"1584326"	571.11882	"C10889"	"()-Syringaresinol"	"C22H26O8"	"418.1628"	"M+K+CF3COOH"	152.95602
"813600"	580.2156	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M"	0
"981664"	561.19721	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-H2O-H"	-19.01839
"68812"	385.803124	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M-3H"	-3.021828
"508375"	579.208324	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M-3H"	-3.021828
"881802"	192.397924	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-3H"	-3.021828
"6938"	579.208324	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M-2H"	-2.014552
"444310"	869.316124	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M-2H"	-2.014552
"818099"	289.100524	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-2H"	-2.014552
"82100"	1159.423924	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M-H"	-1.007276
"522752"	1739.639524	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M-H"	-1.007276
"895732"	579.208324	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-H"	-1.007276
"47395"	1176.450471	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M-2H+NH4"	16.019271
"487807"	1756.666071	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M-2H+NH4"	16.019271
"865124"	596.234871	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-2H+NH4"	16.019271
"32177"	1181.405866	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M-2H+Na"	20.974666
"476478"	1761.621466	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M-2H+Na"	20.974666
"854282"	601.190266	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-2H+Na"	20.974666
"1621628"	601.190266	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Na-2H"	20.974666
"100351"	597.196663	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M-H+Cl"	33.962126
"537726"	887.304463	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M-H+Cl"	33.962126
"929416"	307.088863	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-H+Cl"	33.962126
"274172"	1195.400602	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+Cl"	34.969402
"665499"	1775.616202	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+Cl"	34.969402
"1284465"	615.185002	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Cl"	34.969402
"22647"	1197.379806	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M-2H+K"	36.948606
"462207"	1777.595406	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M-2H+K"	36.948606
"836363"	617.164206	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-2H+K"	36.948606
"1559122"	617.164206	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+K-2H"	36.948606
"947004"	625.213794	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-H+HCOOH"	44.998194
"363396"	1205.429401	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+HCOOH-H"	44.998201
"348376"	1219.445051	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+Hac-H"	59.013851
"1497939"	639.229451	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Hac-H"	59.013851
"960738"	647.195751	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-H+NaCOOH"	66.980151
"111832"	615.185002	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+2Cl"	69.938804
"551028"	905.292802	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+2Cl"	69.938804
"1024564"	325.077202	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2Cl"	69.938804
"1243413"	659.134485	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Br"	78.918885
"1304521"	661.190472	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Cl+HCOOH"	80.974872
"1322631"	683.172429	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Cl+NaCOOH"	102.956829
"913201"	693.201186	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M-H+CF3COOH"	112.985586
"1290030"	729.177864	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Cl+CF3COOH"	148.962264
"1368927"	545.202924	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H-2H2O"	-35.012676
"1391174"	563.2129	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H-H2O"	-17.0027
"289770"	1161.438476	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+H"	1.007276
"678910"	1741.654076	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+H"	1.007276
"1356353"	581.222876	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H"	1.007276
"135803"	581.222876	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+2H"	2.014552
"579737"	871.330676	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+2H"	2.014552
"1045258"	291.115076	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2H"	2.014552
"209880"	387.817676	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+3H"	3.021828
"647619"	581.222876	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+3H"	3.021828
"1165378"	194.412476	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+3H"	3.021828
"426826"	1178.465023	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+NH4"	18.033823
"789645"	1758.680623	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+NH4"	18.033823
"1684516"	598.249423	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+NH4"	18.033823
"331703"	589.7361495	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+H+NH4"	19.041099
"723394"	879.8439495	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+H+NH4"	19.041099
"1480131"	299.6283495	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H+NH4"	19.041099
"394804"	1183.420418	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+Na"	22.989218
"759078"	1763.636018	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+Na"	22.989218
"1606083"	603.204818	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Na"	22.989218
"316119"	592.213847	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+H+Na"	23.996494
"715101"	882.321647	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+H+Na"	23.996494
"1464183"	302.106047	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H+Na"	23.996494
"1058888"	201.73979	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2H+Na"	25.00377
"1264949"	613.249086	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+CH3OH+H"	33.033486
"383523"	1199.394358	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+K"	38.963158
"746704"	1779.609958	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+K"	38.963158
"1550582"	619.178758	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+K"	38.963158
"311041"	600.200817	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+H+K"	39.970434
"702732"	890.308617	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+H+K"	39.970434
"1454364"	310.093017	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H+K"	39.970434
"244059"	1202.465026	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+ACN+H"	42.033826
"1214579"	622.249426	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+ACN+H"	42.033826
"1199555"	311.628351	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+ACN+2H"	43.041102
"198625"	1205.40236	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+2Na-H"	44.97116
"636360"	1785.61796	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+2Na-H"	44.97116
"1142055"	625.18676	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2Na-H"	44.97116
"184613"	603.204818	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+2Na"	45.978436
"625269"	893.312618	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+2Na"	45.978436
"1127314"	313.097018	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2Na"	45.978436
"1412299"	209.067104	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H+2Na"	46.985712
"1440042"	627.228346	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H+HCOOH"	47.012746
"223905"	608.23784	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+3H2O+2H"	56.04448
"1520724"	641.28039	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+IsoProp+H"	61.06479
"421140"	611.191788	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+Na+K"	61.952376
"777030"	901.299588	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+Na+K"	61.952376
"1673362"	321.083988	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Na+K"	61.952376
"263160"	1224.446968	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+ACN+Na"	64.015768
"1232588"	644.231368	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+ACN+Na"	64.015768
"1726215"	644.254893	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+NH4+HCOOH"	64.039293
"1183553"	216.394418	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+3Na"	68.967654
"1654539"	649.210288	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Na+HCOOH"	68.994688
"162495"	1237.35024	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+2K-H"	76.91904
"603149"	1817.56584	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+2K-H"	76.91904
"1090941"	657.13464	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2K-H"	76.91904
"146667"	619.178758	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"2M+2K"	77.926316
"587319"	909.286558	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"3M+2K"	77.926316
"1069644"	329.070958	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2K"	77.926316
"1101034"	659.149192	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2K+H"	78.933592
"1335618"	659.236807	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+DMSO+H"	79.021207
"1009960"	663.275976	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2ACN+H"	83.060376
"1525289"	664.269608	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+IsoProp+Na+H"	84.054008
"990521"	332.141626	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+2ACN+2H"	84.067652
"1591227"	665.184228	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+K+HCOOH"	84.968628
"1423450"	695.215738	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+H+CF3COOH"	115.000138
"1158112"	352.654901	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+3ACN+2H"	125.094202
"1710947"	712.242285	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+NH4+CF3COOH"	132.026685
"1644410"	717.19768	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+Na+CF3COOH"	136.98208
"1578968"	733.17162	"C10890"	"()-Syringaresinol O-beta-D-glucoside;Acanthoside B"	"C28H36O13"	"580.2156"	"M+K+CF3COOH"	152.95602
"813708"	388.1522	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M"	0
"978494"	369.13381	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-H2O-H"	-19.01839
"68922"	257.760857333333	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M-3H"	-3.021828
"506661"	387.144924	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M-3H"	-3.021828
"883005"	128.376790666667	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-3H"	-3.021828
"7048"	387.144924	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M-2H"	-2.014552
"444420"	581.221024	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M-2H"	-2.014552
"821126"	193.068824	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-2H"	-2.014552
"83303"	775.297124	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M-H"	-1.007276
"521770"	1163.449324	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M-H"	-1.007276
"896778"	387.144924	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-H"	-1.007276
"50668"	792.323671	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M-2H+NH4"	16.019271
"491321"	1180.475871	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M-2H+NH4"	16.019271
"870216"	404.171471	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-2H+NH4"	16.019271
"35935"	797.279066	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M-2H+Na"	20.974666
"475495"	1185.431266	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M-2H+Na"	20.974666
"854392"	409.126866	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-2H+Na"	20.974666
"1621738"	409.126866	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Na-2H"	20.974666
"102648"	405.133263	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M-H+Cl"	33.962126
"539657"	599.209363	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M-H+Cl"	33.962126
"928430"	211.057163	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-H+Cl"	33.962126
"275375"	811.273802	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+Cl"	34.969402
"667429"	1199.426002	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+Cl"	34.969402
"1283482"	423.121602	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Cl"	34.969402
"22757"	813.253006	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M-2H+K"	36.948606
"462317"	1201.405206	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M-2H+K"	36.948606
"837200"	425.100806	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-2H+K"	36.948606
"1560326"	425.100806	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+K-2H"	36.948606
"947478"	433.150394	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-H+HCOOH"	44.998194
"364236"	821.302601	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+HCOOH-H"	44.998201
"351403"	835.318251	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+Hac-H"	59.013851
"1496952"	447.166051	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Hac-H"	59.013851
"963037"	455.132351	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-H+NaCOOH"	66.980151
"117777"	423.121602	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+2Cl"	69.938804
"558429"	617.197702	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+2Cl"	69.938804
"1031603"	229.045502	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2Cl"	69.938804
"1251182"	467.071085	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Br"	78.918885
"1305121"	469.127072	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Cl+HCOOH"	80.974872
"1325293"	491.109029	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Cl+NaCOOH"	102.956829
"911854"	501.137786	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M-H+CF3COOH"	112.985586
"1291237"	537.114464	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Cl+CF3COOH"	148.962264
"1369765"	353.139524	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H-2H2O"	-35.012676
"1394563"	371.1495	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H-H2O"	-17.0027
"289880"	777.311676	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+H"	1.007276
"677927"	1165.463876	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+H"	1.007276
"1358649"	389.159476	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H"	1.007276
"131540"	389.159476	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+2H"	2.014552
"579847"	583.235576	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+2H"	2.014552
"1045368"	195.083376	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2H"	2.014552
"205252"	259.775409333333	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+3H"	3.021828
"647729"	389.159476	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+3H"	3.021828
"1165123"	130.391342666667	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+3H"	3.021828
"425597"	794.338223	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+NH4"	18.033823
"787928"	1182.490423	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+NH4"	18.033823
"1682802"	406.186023	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+NH4"	18.033823
"330841"	397.6727495	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+H+NH4"	19.041099
"725328"	591.7488495	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+H+NH4"	19.041099
"1479877"	203.5966495	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H+NH4"	19.041099
"394913"	799.293618	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+Na"	22.989218
"757003"	1187.445818	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+Na"	22.989218
"1606557"	411.141418	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Na"	22.989218
"319511"	400.150447	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+H+Na"	23.996494
"714119"	594.226547	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+H+Na"	23.996494
"1465753"	206.074347	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H+Na"	23.996494
"1057905"	137.718656666667	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2H+Na"	25.00377
"1265059"	421.185686	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+CH3OH+H"	33.033486
"379621"	815.267558	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+K"	38.963158
"740252"	1203.419758	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+K"	38.963158
"1544495"	427.115358	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+K"	38.963158
"307140"	408.137417	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+H+K"	39.970434
"702842"	602.213517	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+H+K"	39.970434
"1454474"	214.061317	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H+K"	39.970434
"241980"	818.338226	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+ACN+H"	42.033826
"1213596"	430.186026	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+ACN+H"	42.033826
"1204040"	215.596651	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+ACN+2H"	43.041102
"194725"	821.27556	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+2Na-H"	44.97116
"636470"	1209.42776	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+2Na-H"	44.97116
"1143621"	433.12336	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2Na-H"	44.97116
"185818"	411.141418	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+2Na"	45.978436
"626107"	605.217518	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+2Na"	45.978436
"1129251"	217.065318	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2Na"	45.978436
"1412410"	145.045970666667	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H+2Na"	46.985712
"1444163"	435.164946	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H+HCOOH"	47.012746
"224018"	416.17444	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+3H2O+2H"	56.04448
"1523388"	449.21699	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+IsoProp+H"	61.06479
"420519"	419.128388	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+Na+K"	61.952376
"784430"	613.204488	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+Na+K"	61.952376
"1675660"	225.052288	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Na+K"	61.952376
"265827"	840.320168	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+ACN+Na"	64.015768
"1237075"	452.167968	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+ACN+Na"	64.015768
"1726939"	452.191493	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+NH4+HCOOH"	64.039293
"1185849"	152.373284666667	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+3Na"	68.967654
"1656834"	457.146888	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Na+HCOOH"	68.994688
"165883"	853.22344	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+2K-H"	76.91904
"607632"	1241.37564	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+2K-H"	76.91904
"1096156"	465.07124	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2K-H"	76.91904
"150787"	427.115358	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"2M+2K"	77.926316
"589617"	621.191458	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"3M+2K"	77.926316
"1074128"	233.039258	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2K"	77.926316
"1108430"	467.085792	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2K+H"	78.933592
"1342628"	467.173407	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+DMSO+H"	79.021207
"1007881"	471.212576	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2ACN+H"	83.060376
"1527100"	472.206208	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+IsoProp+Na+H"	84.054008
"993544"	236.109926	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+2ACN+2H"	84.067652
"1590243"	473.120828	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+K+HCOOH"	84.968628
"1423561"	503.152338	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+H+CF3COOH"	115.000138
"1153848"	256.623201	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+3ACN+2H"	125.094202
"1711058"	520.178885	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+NH4+CF3COOH"	132.026685
"1644520"	525.13428	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+Na+CF3COOH"	136.98208
"1577985"	541.10822	"C10891"	"Trachelogenin;(-)-Trachelogenin"	"C21H24O7"	"388.1522"	"M+K+CF3COOH"	152.95602
"813818"	372.1937	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M"	0
"981884"	353.17531	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-H2O-H"	-19.01839
"72312"	247.121857333333	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M-3H"	-3.021828
"508594"	371.186424	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M-3H"	-3.021828
"886395"	123.057290666667	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-3H"	-3.021828
"9345"	371.186424	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M-2H"	-2.014552
"447810"	557.283274	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M-2H"	-2.014552
"821236"	185.089574	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-2H"	-2.014552
"83413"	743.380124	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M-H"	-1.007276
"524067"	1115.573824	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M-H"	-1.007276
"902961"	371.186424	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-H"	-1.007276
"51870"	760.406671	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M-2H+NH4"	16.019271
"492525"	1132.600371	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M-2H+NH4"	16.019271
"870327"	388.212971	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-2H+NH4"	16.019271
"38232"	765.362066	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M-2H+Na"	20.974666
"475605"	1137.555766	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M-2H+Na"	20.974666
"850129"	393.168366	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-2H+Na"	20.974666
"1620755"	393.168366	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Na-2H"	20.974666
"103843"	389.174763	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M-H+Cl"	33.962126
"541226"	575.271613	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M-H+Cl"	33.962126
"930364"	203.077913	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-H+Cl"	33.962126
"276579"	779.356802	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+Cl"	34.969402
"667540"	1151.550502	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+Cl"	34.969402
"1281405"	407.163102	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Cl"	34.969402
"23960"	781.336006	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M-2H+K"	36.948606
"461334"	1153.529706	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M-2H+K"	36.948606
"838040"	409.142306	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-2H+K"	36.948606
"1560436"	409.142306	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+K-2H"	36.948606
"948318"	417.191894	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-H+HCOOH"	44.998194
"363620"	789.385601	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+HCOOH-H"	44.998201
"354793"	803.401251	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+Hac-H"	59.013851
"1497061"	431.207551	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Hac-H"	59.013851
"965698"	439.173851	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-H+NaCOOH"	66.980151
"118980"	407.163102	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+2Cl"	69.938804
"560726"	593.259952	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+2Cl"	69.938804
"1033172"	221.066252	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2Cl"	69.938804
"1252385"	451.112585	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Br"	78.918885
"1306083"	453.168572	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Cl+HCOOH"	80.974872
"1325039"	475.150529	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Cl+NaCOOH"	102.956829
"913909"	485.179286	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M-H+CF3COOH"	112.985586
"1290983"	521.155964	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Cl+CF3COOH"	148.962264
"1369877"	337.181024	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H-2H2O"	-35.012676
"1395768"	355.191	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H-H2O"	-17.0027
"293270"	745.394676	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+H"	1.007276
"687878"	1117.588376	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+H"	1.007276
"1366414"	373.200976	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H"	1.007276
"137116"	373.200976	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+2H"	2.014552
"577770"	559.297826	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+2H"	2.014552
"1043291"	187.104126	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2H"	2.014552
"207182"	249.136409333333	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+3H"	3.021828
"645648"	373.200976	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+3H"	3.021828
"1165595"	125.071842666667	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+3H"	3.021828
"428504"	762.421223	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+NH4"	18.033823
"792051"	1134.614923	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+NH4"	18.033823
"1688016"	390.227523	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+NH4"	18.033823
"339577"	381.7142495	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+H+NH4"	19.041099
"725802"	567.8110995	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+H+NH4"	19.041099
"1480715"	195.6173995	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H+NH4"	19.041099
"395752"	767.376618	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+Na"	22.989218
"758205"	1139.570318	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+Na"	22.989218
"1605936"	395.182918	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Na"	22.989218
"319621"	384.191947	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+H+Na"	23.996494
"710949"	570.288797	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+H+Na"	23.996494
"1464040"	198.095097	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H+Na"	23.996494
"1056921"	132.399156666667	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2H+Na"	25.00377
"1265169"	405.227186	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+CH3OH+H"	33.033486
"378151"	783.350558	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+K"	38.963158
"739632"	1155.544258	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+K"	38.963158
"1544605"	411.156858	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+K"	38.963158
"307250"	392.178917	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+H+K"	39.970434
"704045"	578.275767	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+H+K"	39.970434
"1454584"	206.082067	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H+K"	39.970434
"245370"	786.421226	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+ACN+H"	42.033826
"1220268"	414.227526	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+ACN+H"	42.033826
"1206702"	207.617401	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+ACN+2H"	43.041102
"200302"	789.35856	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+2Na-H"	44.97116
"637676"	1161.55226	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+2Na-H"	44.97116
"1145555"	417.16486	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2Na-H"	44.97116
"187024"	395.182918	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+2Na"	45.978436
"626221"	581.279768	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+2Na"	45.978436
"1130335"	209.086068	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2Na"	45.978436
"1412884"	139.726470666667	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H+2Na"	46.985712
"1443544"	419.206446	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H+HCOOH"	47.012746
"225221"	400.21594	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+3H2O+2H"	56.04448
"1522406"	433.25849	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+IsoProp+H"	61.06479
"422816"	403.169888	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+Na+K"	61.952376
"784540"	589.266738	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+Na+K"	61.952376
"1680510"	217.073038	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Na+K"	61.952376
"265934"	808.403168	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+ACN+Na"	64.015768
"1240350"	436.209468	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+ACN+Na"	64.015768
"1727171"	436.232993	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+NH4+HCOOH"	64.039293
"1191792"	147.053784666667	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+3Na"	68.967654
"1663507"	441.188388	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Na+HCOOH"	68.994688
"170367"	821.30644	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+2K-H"	76.91904
"609927"	1193.50014	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+2K-H"	76.91904
"1091163"	449.11274	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2K-H"	76.91904
"154176"	411.156858	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"2M+2K"	77.926316
"593007"	597.253708	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"3M+2K"	77.926316
"1073147"	225.060008	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2K"	77.926316
"1104166"	451.127292	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2K+H"	78.933592
"1340550"	451.214907	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+DMSO+H"	79.021207
"1007141"	455.254076	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2ACN+H"	83.060376
"1525751"	456.247708	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+IsoProp+Na+H"	84.054008
"991469"	228.130676	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+2ACN+2H"	84.067652
"1589253"	457.162328	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+K+HCOOH"	84.968628
"1423670"	487.193838	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+H+CF3COOH"	115.000138
"1153958"	248.643951	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+3ACN+2H"	125.094202
"1708980"	504.220385	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+NH4+CF3COOH"	132.026685
"1644630"	509.17578	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+Na+CF3COOH"	136.98208
"1578095"	525.14972	"C10892"	"()-Veraguensin"	"C22H28O5"	"372.1937"	"M+K+CF3COOH"	152.95602
"815021"	384.1573	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M"	0
"985274"	365.13891	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-H2O-H"	-19.01839
"71328"	255.097590666667	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M-3H"	-3.021828
"513078"	383.150024	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M-3H"	-3.021828
"883589"	127.045157333333	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-3H"	-3.021828
"7268"	383.150024	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M-2H"	-2.014552
"445733"	575.228674	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M-2H"	-2.014552
"820252"	191.071374	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-2H"	-2.014552
"83524"	767.307324	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M-H"	-1.007276
"525271"	1151.464624	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M-H"	-1.007276
"905989"	383.150024	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-H"	-1.007276
"49795"	784.333871	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M-2H+NH4"	16.019271
"493729"	1168.491171	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M-2H+NH4"	16.019271
"870438"	400.176571	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-2H+NH4"	16.019271
"38342"	789.289266	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M-2H+Na"	20.974666
"478997"	1173.446566	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M-2H+Na"	20.974666
"854612"	405.131966	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-2H+Na"	20.974666
"1627426"	405.131966	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Na-2H"	20.974666
"103955"	401.138363	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M-H+Cl"	33.962126
"542429"	593.217013	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M-H+Cl"	33.962126
"932661"	209.059713	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-H+Cl"	33.962126
"274498"	803.284002	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+Cl"	34.969402
"666922"	1187.441302	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+Cl"	34.969402
"1283701"	419.126702	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Cl"	34.969402
"24070"	805.263206	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M-2H+K"	36.948606
"468006"	1189.420506	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M-2H+K"	36.948606
"839244"	421.105906	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-2H+K"	36.948606
"1563824"	421.105906	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+K-2H"	36.948606
"949524"	429.155494	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-H+HCOOH"	44.998194
"364457"	813.312801	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+HCOOH-H"	44.998201
"354539"	827.328451	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+Hac-H"	59.013851
"1501547"	443.171151	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Hac-H"	59.013851
"968360"	451.137451	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-H+NaCOOH"	66.980151
"120914"	419.126702	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+2Cl"	69.938804
"562661"	611.205352	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+2Cl"	69.938804
"1032188"	227.048052	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2Cl"	69.938804
"1252494"	463.076185	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Br"	78.918885
"1312756"	465.132172	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Cl+HCOOH"	80.974872
"1330252"	487.114129	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Cl+NaCOOH"	102.956829
"913291"	497.142886	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M-H+CF3COOH"	112.985586
"1289637"	533.119564	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Cl+CF3COOH"	148.962264
"1369257"	349.144624	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H-2H2O"	-35.012676
"1397342"	367.1546	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H-H2O"	-17.0027
"296296"	769.321876	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+H"	1.007276
"688720"	1153.479176	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+H"	1.007276
"1365067"	385.164576	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H"	1.007276
"137229"	385.164576	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+2H"	2.014552
"579340"	577.243226	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+2H"	2.014552
"1045588"	193.085926	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2H"	2.014552
"208022"	257.112142666667	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+3H"	3.021828
"647945"	385.164576	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+3H"	3.021828
"1167526"	129.059709333333	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+3H"	3.021828
"430436"	786.348423	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+NH4"	18.033823
"795441"	1170.505723	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+NH4"	18.033823
"1689586"	402.191123	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+NH4"	18.033823
"340780"	393.6778495	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+H+NH4"	19.041099
"725913"	585.7564995	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+H+NH4"	19.041099
"1480460"	201.5991995	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H+NH4"	19.041099
"396588"	791.303818	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+Na"	22.989218
"760500"	1175.461118	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+Na"	22.989218
"1608597"	407.146518	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Na"	22.989218
"319731"	396.155547	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+H+Na"	23.996494
"713245"	588.234197	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+H+Na"	23.996494
"1467064"	204.076897	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H+Na"	23.996494
"1059217"	136.387023333333	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2H+Na"	25.00377
"1266372"	417.190786	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+CH3OH+H"	33.033486
"379113"	807.277758	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+K"	38.963158
"739741"	1191.435058	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+K"	38.963158
"1542525"	423.120458	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+K"	38.963158
"309547"	404.142517	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+H+K"	39.970434
"705978"	596.221167	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+H+K"	39.970434
"1459069"	212.063867	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H+K"	39.970434
"245481"	810.348426	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+ACN+H"	42.033826
"1220378"	426.191126	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+ACN+H"	42.033826
"1207907"	213.599201	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+ACN+2H"	43.041102
"202236"	813.28576	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+2Na-H"	44.97116
"639974"	1197.44306	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+2Na-H"	44.97116
"1145790"	429.12846	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2Na-H"	44.97116
"188194"	407.146518	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+2Na"	45.978436
"628354"	599.225168	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+2Na"	45.978436
"1131021"	215.067868	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2Na"	45.978436
"1413891"	143.714337333333	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H+2Na"	46.985712
"1445468"	431.170046	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H+HCOOH"	47.012746
"225695"	412.17954	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+3H2O+2H"	56.04448
"1523856"	445.22209	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+IsoProp+H"	61.06479
"423659"	415.133488	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+Na+K"	61.952376
"784287"	607.212138	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+Na+K"	61.952376
"1680744"	223.054838	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Na+K"	61.952376
"265680"	832.330368	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+ACN+Na"	64.015768
"1240458"	448.173068	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+ACN+Na"	64.015768
"1727401"	448.196593	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+NH4+HCOOH"	64.039293
"1193723"	151.041651333333	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+3Na"	68.967654
"1664715"	453.151988	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Na+HCOOH"	68.994688
"171574"	845.23364	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+2K-H"	76.91904
"610040"	1229.39094	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+2K-H"	76.91904
"1094556"	461.07634	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2K-H"	76.91904
"153557"	423.120458	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"2M+2K"	77.926316
"590930"	615.199108	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"3M+2K"	77.926316
"1077631"	231.041808	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2K"	77.926316
"1105370"	463.090892	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2K+H"	78.933592
"1340661"	463.178507	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+DMSO+H"	79.021207
"1008220"	467.217676	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2ACN+H"	83.060376
"1531691"	468.211308	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+IsoProp+Na+H"	84.054008
"991579"	234.112476	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+2ACN+2H"	84.067652
"1590456"	469.125928	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+K+HCOOH"	84.968628
"1422687"	499.157438	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+H+CF3COOH"	115.000138
"1155162"	254.625751	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+3ACN+2H"	125.094202
"1709090"	516.183985	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+NH4+CF3COOH"	132.026685
"1644740"	521.13938	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+Na+CF3COOH"	136.98208
"1578205"	537.11332	"C10893"	"Schizandrin C;Wuweizisu C"	"C22H24O6"	"384.1573"	"M+K+CF3COOH"	152.95602
"811851"	446.1941	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M"	0
"978824"	427.17571	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-H2O-H"	-19.01839
"71438"	296.455457333333	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M-3H"	-3.021828
"511001"	445.186824	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M-3H"	-3.021828
"883335"	147.724090666667	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-3H"	-3.021828
"4098"	445.186824	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M-2H"	-2.014552
"444750"	668.283874	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M-2H"	-2.014552
"819269"	222.089774	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-2H"	-2.014552
"80840"	891.380924	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M-H"	-1.007276
"524288"	1337.575024	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M-H"	-1.007276
"903183"	445.186824	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-H"	-1.007276
"48810"	908.407471	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M-2H+NH4"	16.019271
"491652"	1354.601571	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M-2H+NH4"	16.019271
"870547"	462.213371	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-2H+NH4"	16.019271
"38452"	913.362866	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M-2H+Na"	20.974666
"479107"	1359.556966	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M-2H+Na"	20.974666
"858002"	467.168766	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-2H+Na"	20.974666
"1625350"	467.168766	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Na-2H"	20.974666
"102972"	463.175163	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M-H+Cl"	33.962126
"541446"	686.272213	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M-H+Cl"	33.962126
"937144"	240.078113	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-H+Cl"	33.962126
"278982"	927.357602	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+Cl"	34.969402
"670312"	1373.551702	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+Cl"	34.969402
"1283811"	481.163502	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Cl"	34.969402
"23086"	929.336806	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M-2H+K"	36.948606
"467752"	1375.530906	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M-2H+K"	36.948606
"839354"	483.142706	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-2H+K"	36.948606
"1563935"	483.142706	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+K-2H"	36.948606
"949633"	491.192294	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-H+HCOOH"	44.998194
"366754"	937.386401	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+HCOOH-H"	44.998201
"353918"	951.402051	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+Hac-H"	59.013851
"1500563"	505.207951	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Hac-H"	59.013851
"969563"	513.174251	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-H+NaCOOH"	66.980151
"118102"	481.163502	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+2Cl"	69.938804
"562040"	704.260552	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+2Cl"	69.938804
"1034485"	258.066452	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2Cl"	69.938804
"1254793"	525.112985	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Br"	78.918885
"1307399"	527.168972	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Cl+HCOOH"	80.974872
"1330363"	549.150929	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Cl+NaCOOH"	102.956829
"920327"	559.179686	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M-H+CF3COOH"	112.985586
"1290838"	595.156364	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Cl+CF3COOH"	148.962264
"1369729"	411.181424	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H-2H2O"	-35.012676
"1397332"	429.1914	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H-H2O"	-17.0027
"294584"	893.395476	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+H"	1.007276
"688829"	1339.589576	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+H"	1.007276
"1365786"	447.201376	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H"	1.007276
"138068"	447.201376	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+2H"	2.014552
"579816"	670.298426	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+2H"	2.014552
"1044605"	224.104326	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2H"	2.014552
"208132"	298.470009333333	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+3H"	3.021828
"647327"	447.201376	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+3H"	3.021828
"1166909"	149.738642666667	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+3H"	3.021828
"429089"	910.422023	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+NH4"	18.033823
"795552"	1356.616123	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+NH4"	18.033823
"1688967"	464.227923	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+NH4"	18.033823
"340161"	455.7146495	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+H+NH4"	19.041099
"726750"	678.8116995	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+H+NH4"	19.041099
"1481301"	232.6175995	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H+NH4"	19.041099
"396336"	915.377418	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+Na"	22.989218
"758422"	1361.571518	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+Na"	22.989218
"1609800"	469.183318	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Na"	22.989218
"317655"	458.192347	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+H+Na"	23.996494
"711169"	681.289397	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+H+Na"	23.996494
"1464623"	235.095297	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H+Na"	23.996494
"1057141"	157.065956666667	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2H+Na"	25.00377
"1263202"	479.227586	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+CH3OH+H"	33.033486
"377884"	931.351358	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+K"	38.963158
"739284"	1377.545458	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+K"	38.963158
"1544824"	485.157258	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+K"	38.963158
"309657"	466.179317	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+H+K"	39.970434
"703173"	689.276367	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+H+K"	39.970434
"1458085"	243.082267	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H+K"	39.970434
"249602"	934.422026	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+ACN+H"	42.033826
"1223768"	488.227926	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+ACN+H"	42.033826
"1209682"	244.617601	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+ACN+2H"	43.041102
"202346"	937.35936	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+2Na-H"	44.97116
"640448"	1383.55346	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+2Na-H"	44.97116
"1145049"	491.16526	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2Na-H"	44.97116
"186517"	469.183318	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+2Na"	45.978436
"627903"	692.280368	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+2Na"	45.978436
"1130804"	246.086268	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2Na"	45.978436
"1413110"	164.393270666667	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H+2Na"	46.985712
"1445351"	493.206846	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H+HCOOH"	47.012746
"225441"	474.21634	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+3H2O+2H"	56.04448
"1524087"	507.25889	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+IsoProp+H"	61.06479
"422685"	477.170288	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+Na+K"	61.952376
"785449"	700.267338	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+Na+K"	61.952376
"1681096"	254.073238	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Na+K"	61.952376
"267104"	956.403968	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+ACN+Na"	64.015768
"1240449"	510.209868	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+ACN+Na"	64.015768
"1728202"	510.233393	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+NH4+HCOOH"	64.039293
"1193352"	171.720584666667	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+3Na"	68.967654
"1665424"	515.188788	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Na+HCOOH"	68.994688
"171320"	969.30724	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+2K-H"	76.91904
"610879"	1415.50134	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+2K-H"	76.91904
"1091387"	523.11314	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2K-H"	76.91904
"152576"	485.157258	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"2M+2K"	77.926316
"591042"	708.254308	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"3M+2K"	77.926316
"1075555"	262.060208	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2K"	77.926316
"1104387"	525.127692	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2K+H"	78.933592
"1339678"	525.215307	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+DMSO+H"	79.021207
"1008208"	529.254476	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2ACN+H"	83.060376
"1529614"	530.248108	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+IsoProp+Na+H"	84.054008
"991689"	265.130876	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+2ACN+2H"	84.067652
"1587649"	531.162728	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+K+HCOOH"	84.968628
"1421704"	561.194238	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+H+CF3COOH"	115.000138
"1154179"	285.644151	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+3ACN+2H"	125.094202
"1708107"	578.220785	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+NH4+CF3COOH"	132.026685
"1643757"	583.17618	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+Na+CF3COOH"	136.98208
"1578315"	599.15012	"C10894"	"Yangambin;Lirioresinol-B dimethyl ether"	"C24H30O8"	"446.1941"	"M+K+CF3COOH"	152.95602
"811961"	337.0385	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M"	0
"982214"	318.02011	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-H2O-H"	-19.01839
"71548"	223.685057333333	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M-3H"	-3.021828
"511111"	336.031224	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M-3H"	-3.021828
"886725"	111.338890666667	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-3H"	-3.021828
"7488"	336.031224	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M-2H"	-2.014552
"448141"	504.550474	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M-2H"	-2.014552
"819745"	167.511974	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-2H"	-2.014552
"87027"	673.069724	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M-H"	-1.007276
"525493"	1010.108224	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M-H"	-1.007276
"902199"	336.031224	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-H"	-1.007276
"52201"	690.096271	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M-2H+NH4"	16.019271
"493949"	1027.134771	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M-2H+NH4"	16.019271
"869566"	353.057771	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-2H+NH4"	16.019271
"42937"	695.051666	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M-2H+Na"	20.974666
"479217"	1032.090166	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M-2H+Na"	20.974666
"860302"	358.013166	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-2H+Na"	20.974666
"1633569"	358.013166	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Na-2H"	20.974666
"103082"	354.019563	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M-H+Cl"	33.962126
"546288"	522.538813	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M-H+Cl"	33.962126
"935066"	185.500313	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-H+Cl"	33.962126
"280794"	709.046402	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+Cl"	34.969402
"667140"	1046.084902	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+Cl"	34.969402
"1275896"	372.007902	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Cl"	34.969402
"19912"	711.025606	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M-2H+K"	36.948606
"460567"	1048.064106	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M-2H+K"	36.948606
"838368"	373.987106	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-2H+K"	36.948606
"1560763"	373.987106	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+K-2H"	36.948606
"953020"	382.036694	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-H+HCOOH"	44.998194
"362001"	719.075201	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+HCOOH-H"	44.998201
"347465"	733.090851	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+Hac-H"	59.013851
"1494112"	396.052351	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Hac-H"	59.013851
"962016"	404.018651	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-H+NaCOOH"	66.980151
"120399"	372.007902	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+2Cl"	69.938804
"552310"	540.527152	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+2Cl"	69.938804
"1023413"	203.488652	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2Cl"	69.938804
"1242991"	415.957385	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Br"	78.918885
"1306415"	418.013372	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Cl+HCOOH"	80.974872
"1321360"	439.995329	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Cl+NaCOOH"	102.956829
"912051"	450.024086	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M-H+CF3COOH"	112.985586
"1289854"	486.000764	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Cl+CF3COOH"	148.962264
"1368748"	302.025824	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H-2H2O"	-35.012676
"1397563"	320.0358	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H-H2O"	-17.0027
"296880"	675.084276	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+H"	1.007276
"690032"	1012.122776	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+H"	1.007276
"1365529"	338.045776	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H"	1.007276
"140729"	338.045776	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+2H"	2.014552
"579560"	506.565026	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+2H"	2.014552
"1042528"	169.526526	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2H"	2.014552
"208245"	225.699609333333	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+3H"	3.021828
"648532"	338.045776	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+3H"	3.021828
"1168477"	113.353442666667	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+3H"	3.021828
"433571"	692.110823	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+NH4"	18.033823
"796755"	1029.149323	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+NH4"	18.033823
"1694178"	355.072323	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+NH4"	18.033823
"342460"	346.5590495	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+H+NH4"	19.041099
"728318"	515.0782995	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+H+NH4"	19.041099
"1483233"	178.0397995	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H+NH4"	19.041099
"398629"	697.066218	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+Na"	22.989218
"758533"	1034.104718	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+Na"	22.989218
"1607724"	360.027718	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Na"	22.989218
"319951"	349.036747	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+H+Na"	23.996494
"713466"	517.555997	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+H+Na"	23.996494
"1465100"	180.517497	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H+Na"	23.996494
"1060533"	120.680756666667	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2H+Na"	25.00377
"1258938"	370.071986	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+CH3OH+H"	33.033486
"377181"	713.040158	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+K"	38.963158
"738556"	1050.078658	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+K"	38.963158
"1542747"	376.001658	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+K"	38.963158
"304299"	357.023717	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+H+K"	39.970434
"697815"	525.542967	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+H+K"	39.970434
"1448354"	188.504467	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H+K"	39.970434
"245702"	716.110826	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+ACN+H"	42.033826
"1220598"	379.072326	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+ACN+H"	42.033826
"1209878"	190.039801	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+ACN+2H"	43.041102
"201728"	719.04816	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+2Na-H"	44.97116
"639099"	1056.08666	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+2Na-H"	44.97116
"1142242"	382.00966	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2Na-H"	44.97116
"181524"	360.027718	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+2Na"	45.978436
"626917"	528.546968	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+2Na"	45.978436
"1129083"	191.508468	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2Na"	45.978436
"1409204"	128.008070666667	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H+2Na"	46.985712
"1444848"	384.051246	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H+HCOOH"	47.012746
"229925"	365.06074	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+3H2O+2H"	56.04448
"1522002"	398.10329	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+IsoProp+H"	61.06479
"423038"	368.014688	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+Na+K"	61.952376
"785367"	536.533938	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+Na+K"	61.952376
"1679381"	199.495438	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Na+K"	61.952376
"266636"	738.092768	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+ACN+Na"	64.015768
"1240316"	401.054268	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+ACN+Na"	64.015768
"1727625"	401.077793	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+NH4+HCOOH"	64.039293
"1193830"	135.335384666667	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+3Na"	68.967654
"1665263"	406.033188	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Na+HCOOH"	68.994688
"171431"	750.99604	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+2K-H"	76.91904
"610989"	1088.03454	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+2K-H"	76.91904
"1094410"	413.95754	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2K-H"	76.91904
"152319"	376.001658	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"2M+2K"	77.926316
"593706"	544.520908	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"3M+2K"	77.926316
"1078218"	207.482408	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2K"	77.926316
"1108872"	415.972092	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2K+H"	78.933592
"1343069"	416.059707	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+DMSO+H"	79.021207
"1009412"	420.098876	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2ACN+H"	83.060376
"1536286"	421.092508	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+IsoProp+Na+H"	84.054008
"1000548"	210.553076	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+2ACN+2H"	84.067652
"1587394"	422.007128	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+K+HCOOH"	84.968628
"1420721"	452.038638	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+H+CF3COOH"	115.000138
"1153195"	231.066351	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+3ACN+2H"	125.094202
"1702749"	469.065185	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+NH4+CF3COOH"	132.026685
"1635116"	474.02058	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+Na+CF3COOH"	136.98208
"1578425"	489.99452	"C10895"	"Azafenidin"	"C15H13Cl2N3O2"	"337.0385"	"M+K+CF3COOH"	152.95602
"814260"	290.1379	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M"	0
"984512"	271.11951	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-H2O-H"	-19.01839
"74940"	192.417990666667	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M-3H"	-3.021828
"509034"	289.130624	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M-3H"	-3.021828
"886835"	95.7053573333333	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-3H"	-3.021828
"7598"	289.130624	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M-2H"	-2.014552
"448252"	434.199574	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M-2H"	-2.014552
"827146"	144.061674	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-2H"	-2.014552
"88232"	579.268524	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M-H"	-1.007276
"525601"	869.406424	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M-H"	-1.007276
"902310"	289.130624	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-H"	-1.007276
"55594"	596.295071	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M-2H+NH4"	16.019271
"492967"	886.432971	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M-2H+NH4"	16.019271
"870769"	306.157171	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-2H+NH4"	16.019271
"43047"	601.250466	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M-2H+Na"	20.974666
"479325"	891.388366	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M-2H+Na"	20.974666
"857129"	311.112566	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-2H+Na"	20.974666
"1627756"	311.112566	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Na-2H"	20.974666
"104287"	307.118963	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M-H+Cl"	33.962126
"547126"	452.187913	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M-H+Cl"	33.962126
"937364"	162.050013	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-H+Cl"	33.962126
"281514"	615.245202	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+Cl"	34.969402
"668342"	905.383102	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+Cl"	34.969402
"1276372"	325.107302	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Cl"	34.969402
"26583"	617.224406	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M-2H+K"	36.948606
"461770"	907.362306	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M-2H+K"	36.948606
"842853"	327.086506	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-2H+K"	36.948606
"1560873"	327.086506	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+K-2H"	36.948606
"950944"	335.136094	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-H+HCOOH"	44.998194
"363693"	625.274001	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+HCOOH-H"	44.998201
"347576"	639.289651	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+Hac-H"	59.013851
"1497504"	349.151751	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Hac-H"	59.013851
"966136"	357.118051	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-H+NaCOOH"	66.980151
"117230"	325.107302	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+2Cl"	69.938804
"553148"	470.176252	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+2Cl"	69.938804
"1027779"	180.038352	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2Cl"	69.938804
"1247357"	369.056785	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Br"	78.918885
"1307254"	371.112772	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Cl+HCOOH"	80.974872
"1324750"	393.094729	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Cl+NaCOOH"	102.956829
"914351"	403.123486	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M-H+CF3COOH"	112.985586
"1290694"	439.100164	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Cl+CF3COOH"	148.962264
"1369221"	255.125224	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H-2H2O"	-35.012676
"1398279"	273.1352	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H-H2O"	-17.0027
"296990"	581.283076	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+H"	1.007276
"689413"	871.420976	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+H"	1.007276
"1365760"	291.145176	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H"	1.007276
"135370"	291.145176	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+2H"	2.014552
"581007"	436.214126	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+2H"	2.014552
"1043731"	146.076226	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2H"	2.014552
"207988"	194.432542666667	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+3H"	3.021828
"649006"	291.145176	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+3H"	3.021828
"1169316"	97.7199093333333	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+3H"	3.021828
"434776"	598.309623	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+NH4"	18.033823
"797958"	888.447523	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+NH4"	18.033823
"1694289"	308.171723	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+NH4"	18.033823
"340382"	299.6584495	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+H+NH4"	19.041099
"728065"	444.7273995	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+H+NH4"	19.041099
"1483344"	154.5894995	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H+NH4"	19.041099
"396557"	603.265018	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+Na"	22.989218
"759737"	893.402918	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+Na"	22.989218
"1607835"	313.127118	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Na"	22.989218
"318968"	302.136147	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+H+Na"	23.996494
"712484"	447.205097	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+H+Na"	23.996494
"1464119"	157.067197	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H+Na"	23.996494
"1056271"	105.047223333333	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2H+Na"	25.00377
"1259048"	323.171386	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+CH3OH+H"	33.033486
"377984"	619.238958	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+K"	38.963158
"741164"	909.376858	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+K"	38.963158
"1543949"	329.101058	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+K"	38.963158
"302585"	310.123117	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+H+K"	39.970434
"697921"	455.192067	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+H+K"	39.970434
"1452834"	165.054167	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H+K"	39.970434
"250677"	622.309626	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+ACN+H"	42.033826
"1224720"	332.171726	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+ACN+H"	42.033826
"1207873"	166.589501	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+ACN+2H"	43.041102
"198194"	625.24696	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+2Na-H"	44.97116
"638844"	915.38486	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+2Na-H"	44.97116
"1141989"	335.10906	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2Na-H"	44.97116
"183822"	313.127118	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+2Na"	45.978436
"627028"	458.196068	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+2Na"	45.978436
"1130169"	168.058168	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2Na"	45.978436
"1413207"	112.374537333333	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H+2Na"	46.985712
"1444597"	337.150646	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H+HCOOH"	47.012746
"231129"	318.16014	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+3H2O+2H"	56.04448
"1522724"	351.20269	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+IsoProp+H"	61.06479
"423147"	321.114088	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+Na+K"	61.952376
"784873"	466.183038	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+Na+K"	61.952376
"1679126"	176.045138	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Na+K"	61.952376
"266138"	644.291568	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+ACN+Na"	64.015768
"1240548"	354.153668	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+ACN+Na"	64.015768
"1727494"	354.177193	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+NH4+HCOOH"	64.039293
"1193334"	119.701851333333	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+3Na"	68.967654
"1664925"	359.132588	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Na+HCOOH"	68.994688
"170810"	657.19484	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+2K-H"	76.91904
"612073"	947.33274	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+2K-H"	76.91904
"1093062"	367.05694	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2K-H"	76.91904
"153157"	329.101058	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"2M+2K"	77.926316
"592721"	474.170008	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"3M+2K"	77.926316
"1076869"	184.032108	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2K"	77.926316
"1114819"	369.071492	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2K+H"	78.933592
"1346826"	369.159107	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+DMSO+H"	79.021207
"1018637"	373.198276	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2ACN+H"	83.060376
"1535303"	374.191908	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+IsoProp+Na+H"	84.054008
"1001751"	187.102776	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+2ACN+2H"	84.067652
"1587218"	375.106528	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+K+HCOOH"	84.968628
"1420828"	405.138038	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+H+CF3COOH"	115.000138
"1153305"	207.616051	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+3ACN+2H"	125.094202
"1700672"	422.164585	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+NH4+CF3COOH"	132.026685
"1636322"	427.11998	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+Na+CF3COOH"	136.98208
"1578535"	443.09392	"C10896"	"Benomyl;Benlate"	"C14H18N4O3"	"290.1379"	"M+K+CF3COOH"	152.95602
"816316"	191.0695	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M"	0
"984622"	172.05111	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-H2O-H"	-19.01839
"75049"	126.372390666667	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M-3H"	-3.021828
"509144"	190.062224	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M-3H"	-3.021828
"886945"	62.6825573333333	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-3H"	-3.021828
"10988"	190.062224	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M-2H"	-2.014552
"454194"	285.596974	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M-2H"	-2.014552
"828716"	94.527474	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-2H"	-2.014552
"90528"	381.131724	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M-H"	-1.007276
"527902"	572.201224	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M-H"	-1.007276
"905703"	190.062224	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-H"	-1.007276
"55704"	398.158271	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M-2H+NH4"	16.019271
"493077"	589.227771	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M-2H+NH4"	16.019271
"871973"	207.088771	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-2H+NH4"	16.019271
"37690"	403.113666	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M-2H+Na"	20.974666
"479435"	594.183166	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M-2H+Na"	20.974666
"858332"	212.044166	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-2H+Na"	20.974666
"1627866"	212.044166	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Na-2H"	20.974666
"104397"	208.050563	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M-H+Cl"	33.962126
"542861"	303.585313	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M-H+Cl"	33.962126
"933101"	112.515813	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-H+Cl"	33.962126
"274939"	417.108402	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+Cl"	34.969402
"668452"	608.177902	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+Cl"	34.969402
"1277939"	226.038902	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Cl"	34.969402
"18673"	419.087606	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M-2H+K"	36.948606
"461880"	610.157106	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M-2H+K"	36.948606
"842963"	228.018106	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-2H+K"	36.948606
"1559891"	228.018106	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+K-2H"	36.948606
"948867"	236.067694	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-H+HCOOH"	44.998194
"363803"	427.137201	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+HCOOH-H"	44.998201
"352060"	441.152851	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+Hac-H"	59.013851
"1496518"	250.083351	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Hac-H"	59.013851
"962966"	258.049651	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-H+NaCOOH"	66.980151
"117341"	226.038902	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+2Cl"	69.938804
"556902"	321.573652	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+2Cl"	69.938804
"1027888"	130.504152	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2Cl"	69.938804
"1243821"	269.988385	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Br"	78.918885
"1305904"	272.044372	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Cl+HCOOH"	80.974872
"1323402"	294.026329	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Cl+NaCOOH"	102.956829
"916647"	304.055086	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M-H+CF3COOH"	112.985586
"1293353"	340.031764	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Cl+CF3COOH"	148.962264
"1368600"	156.056824	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H-2H2O"	-35.012676
"1398406"	174.0668	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H-H2O"	-17.0027
"297100"	383.146276	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+H"	1.007276
"687335"	574.215776	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+H"	1.007276
"1365869"	192.076776	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H"	1.007276
"133293"	192.076776	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+2H"	2.014552
"575040"	287.611526	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+2H"	2.014552
"1040561"	96.542026	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2H"	2.014552
"208099"	128.386942666667	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+3H"	3.021828
"648386"	192.076776	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+3H"	3.021828
"1170157"	64.6971093333333	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+3H"	3.021828
"434888"	400.172823	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+NH4"	18.033823
"794789"	591.242323	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+NH4"	18.033823
"1690026"	209.103323	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+NH4"	18.033823
"339399"	200.5900495	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+H+NH4"	19.041099
"727082"	296.1247995	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+H+NH4"	19.041099
"1482361"	105.0552995	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H+NH4"	19.041099
"395209"	405.128218	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+Na"	22.989218
"759847"	596.197718	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+Na"	22.989218
"1606852"	214.058718	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Na"	22.989218
"319077"	203.067747	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+H+Na"	23.996494
"713687"	298.602497	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+H+Na"	23.996494
"1467509"	107.532997	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H+Na"	23.996494
"1057475"	72.0244233333333	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2H+Na"	25.00377
"1258429"	224.102986	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+CH3OH+H"	33.033486
"378824"	421.102158	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+K"	38.963158
"742004"	612.171658	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+K"	38.963158
"1544423"	230.032658	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+K"	38.963158
"306704"	211.054717	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+H+K"	39.970434
"698031"	306.589467	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+H+K"	39.970434
"1452944"	115.519967	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H+K"	39.970434
"249932"	424.172826	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+ACN+H"	42.033826
"1223370"	233.103326	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+ACN+H"	42.033826
"1206889"	117.055301	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+ACN+2H"	43.041102
"196480"	427.11016	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+2Na-H"	44.97116
"638225"	618.17966	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+2Na-H"	44.97116
"1139548"	236.04066	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2Na-H"	44.97116
"177372"	214.058718	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+2Na"	45.978436
"627137"	309.593468	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+2Na"	45.978436
"1130285"	118.523968	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2Na"	45.978436
"1413682"	79.3517373333333	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H+2Na"	46.985712
"1444097"	238.082246	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H+HCOOH"	47.012746
"227960"	219.09174	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+3H2O+2H"	56.04448
"1522101"	252.13429	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+IsoProp+H"	61.06479
"423619"	222.045688	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+Na+K"	61.952376
"784855"	317.580438	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+Na+K"	61.952376
"1680087"	126.510938	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Na+K"	61.952376
"266491"	446.154768	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+ACN+Na"	64.015768
"1241110"	255.085268	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+ACN+Na"	64.015768
"1727813"	255.108793	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+NH4+HCOOH"	64.039293
"1193076"	86.6790513333333	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+3Na"	68.967654
"1664062"	260.064188	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Na+HCOOH"	68.994688
"171413"	459.05804	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+2K-H"	76.91904
"611939"	650.12754	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+2K-H"	76.91904
"1093900"	267.98854	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2K-H"	76.91904
"153267"	230.032658	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"2M+2K"	77.926316
"592466"	325.567408	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"3M+2K"	77.926316
"1079167"	134.497908	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2K"	77.926316
"1110189"	270.003092	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2K+H"	78.933592
"1345479"	270.090707	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+DMSO+H"	79.021207
"1018748"	274.129876	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2ACN+H"	83.060376
"1534319"	275.123508	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+IsoProp+Na+H"	84.054008
"997487"	137.568576	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+2ACN+2H"	84.067652
"1587737"	276.038128	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+K+HCOOH"	84.968628
"1416556"	306.069638	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+H+CF3COOH"	115.000138
"1147939"	158.081851	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+3ACN+2H"	125.094202
"1705157"	323.096185	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+NH4+CF3COOH"	132.026685
"1644087"	328.05158	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+Na+CF3COOH"	136.98208
"1578645"	344.02552	"C10897"	"Carbendazim;Mecarzole"	"C9H9N3O2"	"191.0695"	"M+K+CF3COOH"	152.95602
"812291"	175.0858	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M"	0
"984732"	156.06741	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-H2O-H"	-19.01839
"75159"	115.716590666667	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M-3H"	-3.021828
"509254"	174.078524	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M-3H"	-3.021828
"887055"	57.3546573333333	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-3H"	-3.021828
"11099"	174.078524	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M-2H"	-2.014552
"454305"	261.621424	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M-2H"	-2.014552
"832194"	86.535624	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-2H"	-2.014552
"89546"	349.164324	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M-H"	-1.007276
"531292"	524.250124	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M-H"	-1.007276
"905813"	174.078524	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-H"	-1.007276
"54721"	366.190871	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M-2H+NH4"	16.019271
"493187"	541.276671	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M-2H+NH4"	16.019271
"872083"	191.105071	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-2H+NH4"	16.019271
"38893"	371.146266	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M-2H+Na"	20.974666
"478451"	546.232066	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M-2H+Na"	20.974666
"852975"	196.060466	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-2H+Na"	20.974666
"1625788"	196.060466	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Na-2H"	20.974666
"99038"	192.066863	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M-H+Cl"	33.962126
"541877"	279.609763	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M-H+Cl"	33.962126
"930660"	104.523963	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-H+Cl"	33.962126
"269216"	385.141002	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+Cl"	34.969402
"665286"	560.226802	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+Cl"	34.969402
"1275134"	210.055202	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Cl"	34.969402
"19513"	387.120206	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M-2H+K"	36.948606
"459802"	562.206006	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M-2H+K"	36.948606
"841979"	212.034406	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-2H+K"	36.948606
"1557815"	212.034406	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+K-2H"	36.948606
"948978"	220.083994	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-H+HCOOH"	44.998194
"363914"	395.169801	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+HCOOH-H"	44.998201
"353264"	409.185451	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+Hac-H"	59.013851
"1495536"	234.099651	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Hac-H"	59.013851
"963076"	242.065951	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-H+NaCOOH"	66.980151
"118544"	210.055202	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+2Cl"	69.938804
"553002"	297.598102	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+2Cl"	69.938804
"1027999"	122.512302	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2Cl"	69.938804
"1246483"	254.004685	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Br"	78.918885
"1307107"	256.060672	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Cl+HCOOH"	80.974872
"1323875"	278.042629	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Cl+NaCOOH"	102.956829
"915300"	288.071386	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M-H+CF3COOH"	112.985586
"1292007"	324.048064	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Cl+CF3COOH"	148.962264
"1369804"	140.073124	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H-2H2O"	-35.012676
"1387675"	158.0831	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H-H2O"	-17.0027
"295018"	351.178876	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+H"	1.007276
"690360"	526.264676	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+H"	1.007276
"1364520"	176.093076	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H"	1.007276
"138867"	176.093076	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+2H"	2.014552
"578428"	263.635976	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+2H"	2.014552
"1048324"	88.550176	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2H"	2.014552
"208204"	117.731142666667	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+3H"	3.021828
"650317"	176.093076	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+3H"	3.021828
"1169171"	59.3692093333333	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+3H"	3.021828
"429528"	368.205423	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+NH4"	18.033823
"794168"	543.291223	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+NH4"	18.033823
"1688312"	193.119623	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+NH4"	18.033823
"337320"	184.6063495	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+H+NH4"	19.041099
"726824"	272.1492495	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+H+NH4"	19.041099
"1482466"	97.0634495	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H+NH4"	19.041099
"397866"	373.160818	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+Na"	22.989218
"758860"	548.246618	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+Na"	22.989218
"1604774"	198.075018	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Na"	22.989218
"316999"	187.084047	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+H+Na"	23.996494
"710515"	274.626947	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+H+Na"	23.996494
"1467616"	99.541147	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H+Na"	23.996494
"1064142"	66.6965233333333	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2H+Na"	25.00377
"1257311"	208.119286	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+CH3OH+H"	33.033486
"379660"	389.134758	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+K"	38.963158
"739195"	564.220558	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+K"	38.963158
"1541614"	214.048958	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+K"	38.963158
"303898"	195.071017	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+H+K"	39.970434
"694131"	282.613917	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+H+K"	39.970434
"1453055"	107.528117	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H+K"	39.970434
"244938"	392.205426	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+ACN+H"	42.033826
"1219832"	217.119626	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+ACN+H"	42.033826
"1207361"	109.063451	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+ACN+2H"	43.041102
"198776"	395.14276	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+2Na-H"	44.97116
"636149"	570.22856	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+2Na-H"	44.97116
"1138564"	220.05696	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2Na-H"	44.97116
"181853"	198.075018	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+2Na"	45.978436
"624691"	285.617918	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+2Na"	45.978436
"1121636"	110.532118	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2Na"	45.978436
"1411723"	74.0238373333333	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H+2Na"	46.985712
"1444204"	222.098546	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H+HCOOH"	47.012746
"229162"	203.10804	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+3H2O+2H"	56.04448
"1520510"	236.15059	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+IsoProp+H"	61.06479
"424055"	206.061988	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+Na+K"	61.952376
"785447"	293.604888	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+Na+K"	61.952376
"1679345"	118.519088	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Na+K"	61.952376
"266843"	414.187368	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+ACN+Na"	64.015768
"1240650"	239.101568	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+ACN+Na"	64.015768
"1727712"	239.125093	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+NH4+HCOOH"	64.039293
"1193555"	81.3511513333333	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+3Na"	68.967654
"1664900"	244.080488	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Na+HCOOH"	68.994688
"171762"	427.09064	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+2K-H"	76.91904
"610228"	602.17644	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+2K-H"	76.91904
"1092916"	252.00484	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2K-H"	76.91904
"150829"	214.048958	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"2M+2K"	77.926316
"588203"	301.591858	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"3M+2K"	77.926316
"1078912"	126.506058	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2K"	77.926316
"1108112"	254.019392	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2K+H"	78.933592
"1345589"	254.107007	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+DMSO+H"	79.021207
"1017763"	258.146176	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2ACN+H"	83.060376
"1532243"	259.139808	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+IsoProp+Na+H"	84.054008
"999784"	129.576726	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+2ACN+2H"	84.067652
"1587843"	260.054428	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+K+HCOOH"	84.968628
"1416667"	290.085938	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+H+CF3COOH"	115.000138
"1149142"	150.090001	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+3ACN+2H"	125.094202
"1705267"	307.112485	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+NH4+CF3COOH"	132.026685
"1644197"	312.06788	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+Na+CF3COOH"	136.98208
"1578755"	328.04182	"C10898"	"2-Benzimidazolylguanidine"	"C8H9N5"	"175.0858"	"M+K+CF3COOH"	152.95602
"812401"	118.0378	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M"	0
"984842"	99.01941	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-H2O-H"	-19.01839
"74176"	77.6845906666667	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M-3H"	-3.021828
"507177"	117.030524	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M-3H"	-3.021828
"887165"	38.3386573333333	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-3H"	-3.021828
"11209"	117.030524	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M-2H"	-2.014552
"454779"	176.049424	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M-2H"	-2.014552
"832699"	58.011624	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-2H"	-2.014552
"92572"	235.068324	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M-H"	-1.007276
"528122"	353.106124	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M-H"	-1.007276
"905923"	117.030524	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-H"	-1.007276
"54831"	252.094871	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M-2H+NH4"	16.019271
"491474"	370.132671	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M-2H+NH4"	16.019271
"874380"	134.057071	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-2H+NH4"	16.019271
"37910"	257.050266	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M-2H+Na"	20.974666
"477468"	375.088066	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M-2H+Na"	20.974666
"857459"	139.012466	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-2H+Na"	20.974666
"1629908"	139.012466	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Na-2H"	20.974666
"101336"	135.018863	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M-H+Cl"	33.962126
"537614"	194.037763	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M-H+Cl"	33.962126
"933322"	75.999963	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-H+Cl"	33.962126
"276251"	271.045002	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+Cl"	34.969402
"666489"	389.082802	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+Cl"	34.969402
"1274516"	153.007202	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Cl"	34.969402
"20353"	273.024206	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M-2H+K"	36.948606
"464288"	391.062006	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M-2H+K"	36.948606
"838809"	154.986406	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-2H+K"	36.948606
"1563393"	154.986406	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+K-2H"	36.948606
"950181"	163.035994	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-H+HCOOH"	44.998194
"366211"	281.073801	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+HCOOH-H"	44.998201
"353373"	295.089451	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+Hac-H"	59.013851
"1501113"	177.051651	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Hac-H"	59.013851
"970840"	185.017951	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-H+NaCOOH"	66.980151
"120841"	153.007202	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+2Cl"	69.938804
"557123"	212.026102	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+2Cl"	69.938804
"1031390"	93.988302	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2Cl"	69.938804
"1247687"	196.956685	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Br"	78.918885
"1306124"	199.012672	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Cl+HCOOH"	80.974872
"1322892"	220.994629	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Cl+NaCOOH"	102.956829
"917597"	231.023386	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M-H+CF3COOH"	112.985586
"1291752"	267.000064	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Cl+CF3COOH"	148.962264
"1368091"	83.025124	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H-2H2O"	-35.012676
"1387785"	101.0351	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H-H2O"	-17.0027
"296221"	237.082876	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+H"	1.007276
"687548"	355.120676	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+H"	1.007276
"1363898"	119.045076	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H"	1.007276
"136790"	119.045076	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+2H"	2.014552
"577444"	178.063976	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+2H"	2.014552
"1051717"	60.026176	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2H"	2.014552
"213055"	79.6991426666667	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+3H"	3.021828
"653709"	119.045076	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+3H"	3.021828
"1174022"	40.3532093333333	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+3H"	3.021828
"431825"	254.109423	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+NH4"	18.033823
"793915"	372.147223	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+NH4"	18.033823
"1688423"	136.071623	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+NH4"	18.033823
"340709"	127.5583495	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+H+NH4"	19.041099
"726936"	186.5772495	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+H+NH4"	19.041099
"1486950"	68.5394495	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H+NH4"	19.041099
"402352"	259.064818	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+Na"	22.989218
"761157"	377.102618	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+Na"	22.989218
"1609257"	141.027018	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Na"	22.989218
"321482"	130.036047	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+H+Na"	23.996494
"714996"	189.054947	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+H+Na"	23.996494
"1467726"	71.017147	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H+Na"	23.996494
"1062065"	47.6805233333333	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2H+Na"	25.00377
"1259007"	151.071286	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+CH3OH+H"	33.033486
"383416"	275.038758	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+K"	38.963158
"740037"	393.076558	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+K"	38.963158
"1544642"	157.000958	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+K"	38.963158
"306924"	138.023017	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+H+K"	39.970434
"698250"	197.041917	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+H+K"	39.970434
"1454258"	79.004117	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H+K"	39.970434
"247965"	278.109426	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+ACN+H"	42.033826
"1222497"	160.071626	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+ACN+H"	42.033826
"1205650"	80.539451	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+ACN+2H"	43.041102
"200344"	281.04676	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+2Na-H"	44.97116
"640630"	399.08456	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+2Na-H"	44.97116
"1144384"	163.00896	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2Na-H"	44.97116
"183059"	141.027018	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+2Na"	45.978436
"625168"	200.045918	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+2Na"	45.978436
"1127212"	82.008118	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2Na"	45.978436
"1406364"	55.0078373333333	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H+2Na"	46.985712
"1441761"	165.050546	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H+HCOOH"	47.012746
"229272"	146.06004	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+3H2O+2H"	56.04448
"1522806"	179.10259	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+IsoProp+H"	61.06479
"424249"	149.013988	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+Na+K"	61.952376
"785602"	208.032888	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+Na+K"	61.952376
"1680913"	89.995088	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Na+K"	61.952376
"267075"	300.091368	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+ACN+Na"	64.015768
"1239414"	182.053568	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+ACN+Na"	64.015768
"1726481"	182.077093	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+NH4+HCOOH"	64.039293
"1193294"	62.3351513333333	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+3Na"	68.967654
"1665016"	187.032488	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Na+HCOOH"	68.994688
"170775"	312.99464	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+2K-H"	76.91904
"607424"	431.03244	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+2K-H"	76.91904
"1093026"	194.95684	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2K-H"	76.91904
"150939"	157.000958	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"2M+2K"	77.926316
"588315"	216.019858	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"3M+2K"	77.926316
"1078293"	97.982058	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2K"	77.926316
"1108221"	196.971392	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2K+H"	78.933592
"1347524"	197.059007	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+DMSO+H"	79.021207
"1018240"	201.098176	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2ACN+H"	83.060376
"1535635"	202.091808	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+IsoProp+Na+H"	84.054008
"1000987"	101.052726	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+2ACN+2H"	84.067652
"1589051"	203.006428	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+K+HCOOH"	84.968628
"1415924"	233.037938	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+H+CF3COOH"	115.000138
"1149252"	121.566001	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+3ACN+2H"	125.094202
"1705377"	250.064485	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+NH4+CF3COOH"	132.026685
"1644307"	255.01988	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+Na+CF3COOH"	136.98208
"1575585"	270.99382	"C10899"	"Allophanic acid methyl ester;Allophanic acid methyl ester;1-(Methoxycarbonyl)urea"	"C3H6N2O3"	"118.0378"	"M+K+CF3COOH"	152.95602
"812511"	118.0266	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M"	0
"986775"	99.00821	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-H2O-H"	-19.01839
"74286"	77.677124	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M-3H"	-3.021828
"503276"	117.019324	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M-3H"	-3.021828
"883995"	38.334924	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-3H"	-3.021828
"2572"	117.019324	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M-2H"	-2.014552
"444319"	176.032624	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M-2H"	-2.014552
"821028"	58.006024	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-2H"	-2.014552
"84299"	235.045924	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M-H"	-1.007276
"519485"	353.072524	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M-H"	-1.007276
"906033"	117.019324	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-H"	-1.007276
"47772"	252.072471	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M-2H+NH4"	16.019271
"490127"	370.099071	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M-2H+NH4"	16.019271
"870116"	134.045871	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-2H+NH4"	16.019271
"36923"	257.027866	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M-2H+Na"	20.974666
"471580"	375.054466	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M-2H+Na"	20.974666
"849186"	139.001266	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-2H+Na"	20.974666
"1618672"	139.001266	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Na-2H"	20.974666
"98166"	135.007663	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M-H+Cl"	33.962126
"535539"	194.020963	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M-H+Cl"	33.962126
"927599"	75.994363	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-H+Cl"	33.962126
"268708"	271.022602	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+Cl"	34.969402
"663318"	389.049202	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+Cl"	34.969402
"1274261"	152.996002	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Cl"	34.969402
"18277"	273.001806	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M-2H+K"	36.948606
"457837"	391.028406	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M-2H+K"	36.948606
"838920"	154.975206	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-2H+K"	36.948606
"1563503"	154.975206	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+K-2H"	36.948606
"947011"	163.024794	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-H+HCOOH"	44.998194
"363041"	281.051401	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+HCOOH-H"	44.998201
"354577"	295.067051	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+Hac-H"	59.013851
"1501223"	177.040451	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Hac-H"	59.013851
"968762"	185.006751	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-H+NaCOOH"	66.980151
"117672"	152.996002	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+2Cl"	69.938804
"557233"	212.009302	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+2Cl"	69.938804
"1030407"	93.982702	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2Cl"	69.938804
"1249984"	196.945485	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Br"	78.918885
"1306234"	199.001472	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Cl+HCOOH"	80.974872
"1323002"	220.983429	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Cl+NaCOOH"	102.956829
"917707"	231.012186	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M-H+CF3COOH"	112.985586
"1291862"	266.988864	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Cl+CF3COOH"	148.962264
"1369661"	83.013924	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H-2H2O"	-35.012676
"1386802"	101.0239	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H-H2O"	-17.0027
"294145"	237.060476	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+H"	1.007276
"684378"	355.087076	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+H"	1.007276
"1357445"	119.033876	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H"	1.007276
"133620"	119.033876	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+2H"	2.014552
"577555"	178.047176	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+2H"	2.014552
"1050366"	60.020576	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2H"	2.014552
"212072"	79.691676	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+3H"	3.021828
"653819"	119.033876	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+3H"	3.021828
"1170852"	40.349476	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+3H"	3.021828
"430841"	254.087023	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+NH4"	18.033823
"792931"	372.113623	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+NH4"	18.033823
"1689262"	136.060423	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+NH4"	18.033823
"338632"	127.5471495	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+H+NH4"	19.041099
"727775"	186.5604495	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+H+NH4"	19.041099
"1484875"	68.5338495	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H+NH4"	19.041099
"401369"	259.042418	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+Na"	22.989218
"757987"	377.069018	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+Na"	22.989218
"1609367"	141.015818	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Na"	22.989218
"321593"	130.024847	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+H+Na"	23.996494
"714013"	189.038147	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+H+Na"	23.996494
"1467836"	71.011547	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H+Na"	23.996494
"1062175"	47.67679	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2H+Na"	25.00377
"1259483"	151.060086	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+CH3OH+H"	33.033486
"378425"	275.016358	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+K"	38.963158
"740878"	393.042958	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+K"	38.963158
"1543659"	156.989758	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+K"	38.963158
"304848"	138.011817	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+H+K"	39.970434
"698361"	197.025117	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+H+K"	39.970434
"1452182"	78.998517	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H+K"	39.970434
"248074"	278.087026	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+ACN+H"	42.033826
"1220055"	160.060426	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+ACN+H"	42.033826
"1202845"	80.533851	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+ACN+2H"	43.041102
"201549"	281.02436	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+2Na-H"	44.97116
"639648"	399.05096	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+2Na-H"	44.97116
"1143885"	162.99776	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2Na-H"	44.97116
"182074"	141.015818	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+2Na"	45.978436
"622726"	200.029118	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+2Na"	45.978436
"1122949"	82.002518	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2Na"	45.978436
"1406474"	55.004104	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H+2Na"	46.985712
"1441871"	165.039346	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H+HCOOH"	47.012746
"229382"	146.04884	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+3H2O+2H"	56.04448
"1522552"	179.09139	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+IsoProp+H"	61.06479
"423338"	149.002788	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+Na+K"	61.952376
"785466"	208.016088	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+Na+K"	61.952376
"1681135"	89.989488	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Na+K"	61.952376
"267113"	300.068968	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+ACN+Na"	64.015768
"1239891"	182.042368	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+ACN+Na"	64.015768
"1727320"	182.065893	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+NH4+HCOOH"	64.039293
"1192674"	62.331418	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+3Na"	68.967654
"1663660"	187.021288	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Na+HCOOH"	68.994688
"170154"	312.97224	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+2K-H"	76.91904
"609720"	430.99884	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+2K-H"	76.91904
"1092045"	194.94564	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2K-H"	76.91904
"151049"	156.989758	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"2M+2K"	77.926316
"588424"	216.003058	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"3M+2K"	77.926316
"1079133"	97.976458	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2K"	77.926316
"1112707"	196.960192	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2K+H"	78.933592
"1350551"	197.047807	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+DMSO+H"	79.021207
"1019810"	201.086976	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2ACN+H"	83.060376
"1536111"	202.080608	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+IsoProp+Na+H"	84.054008
"1000004"	101.047126	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+2ACN+2H"	84.067652
"1587702"	202.995228	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+K+HCOOH"	84.968628
"1415792"	233.026738	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+H+CF3COOH"	115.000138
"1148269"	121.560401	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+3ACN+2H"	125.094202
"1705487"	250.053285	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+NH4+CF3COOH"	132.026685
"1644417"	255.00868	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+Na+CF3COOH"	136.98208
"1575695"	270.98262	"C10900"	"Methyl oxalate"	"C4H6O4"	"118.0266"	"M+K+CF3COOH"	152.95602
"811531"	133.064	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M"	0
"988954"	114.04561	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-H2O-H"	-19.01839
"70026"	87.7020573333333	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M-3H"	-3.021828
"509587"	132.056724	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M-3H"	-3.021828
"888482"	43.3473906666667	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-3H"	-3.021828
"13255"	132.056724	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M-2H"	-2.014552
"450993"	198.588724	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M-2H"	-2.014552
"824421"	65.524724	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-2H"	-2.014552
"89879"	265.120724	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M-H"	-1.007276
"525065"	398.184724	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M-H"	-1.007276
"901772"	132.056724	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-H"	-1.007276
"54690"	282.147271	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M-2H+NH4"	16.019271
"493524"	415.211271	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M-2H+NH4"	16.019271
"868773"	149.083271	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-2H+NH4"	16.019271
"39227"	287.102666	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M-2H+Na"	20.974666
"474778"	420.166666	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M-2H+Na"	20.974666
"849540"	154.038666	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-2H+Na"	20.974666
"1622115"	154.038666	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Na-2H"	20.974666
"96455"	150.045063	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M-H+Cl"	33.962126
"538933"	216.577063	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M-H+Cl"	33.962126
"933539"	83.513063	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-H+Cl"	33.962126
"271732"	301.097402	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+Cl"	34.969402
"672181"	434.161402	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+Cl"	34.969402
"1280209"	168.033402	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Cl"	34.969402
"19483"	303.076606	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M-2H+K"	36.948606
"462325"	436.140606	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M-2H+K"	36.948606
"835752"	170.012606	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-2H+K"	36.948606
"1557054"	170.012606	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+K-2H"	36.948606
"943154"	178.062194	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-H+HCOOH"	44.998194
"364247"	311.126201	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+HCOOH-H"	44.998201
"352501"	325.141851	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+Hac-H"	59.013851
"1502427"	192.077851	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Hac-H"	59.013851
"965597"	200.044151	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-H+NaCOOH"	66.980151
"115598"	168.033402	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+2Cl"	69.938804
"554065"	234.565402	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+2Cl"	69.938804
"1023228"	101.501402	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2Cl"	69.938804
"1242201"	211.982885	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Br"	78.918885
"1305862"	214.038872	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Cl+HCOOH"	80.974872
"1322749"	236.020829	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Cl+NaCOOH"	102.956829
"912957"	246.049586	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M-H+CF3COOH"	112.985586
"1290396"	282.026264	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Cl+CF3COOH"	148.962264
"1371598"	98.051324	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H-2H2O"	-35.012676
"1391291"	116.0613	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H-H2O"	-17.0027
"287698"	267.135276	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+H"	1.007276
"685589"	400.199276	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+H"	1.007276
"1360845"	134.071276	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H"	1.007276
"134826"	134.071276	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+2H"	2.014552
"570016"	200.603276	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+2H"	2.014552
"1038451"	67.539276	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2H"	2.014552
"206352"	89.7166093333333	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+3H"	3.021828
"646641"	134.071276	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+3H"	3.021828
"1166590"	45.3619426666667	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+3H"	3.021828
"428038"	284.161823	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+NH4"	18.033823
"789033"	417.225823	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+NH4"	18.033823
"1683908"	151.097823	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+NH4"	18.033823
"331819"	142.5845495	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+H+NH4"	19.041099
"726061"	209.1165495	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+H+NH4"	19.041099
"1480612"	76.0525495	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H+NH4"	19.041099
"394312"	289.117218	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+Na"	22.989218
"757008"	422.181218	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+Na"	22.989218
"1605107"	156.053218	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Na"	22.989218
"315995"	145.062247	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+H+Na"	23.996494
"710848"	211.594247	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+H+Na"	23.996494
"1465766"	78.530247	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H+Na"	23.996494
"1059012"	52.6892566666667	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2H+Na"	25.00377
"1261789"	166.097486	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+CH3OH+H"	33.033486
"377812"	305.091158	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+K"	38.963158
"738758"	438.155158	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+K"	38.963158
"1540733"	172.027158	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+K"	38.963158
"300584"	153.049217	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+H+K"	39.970434
"699566"	219.581217	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+H+K"	39.970434
"1452291"	86.517217	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H+K"	39.970434
"245267"	308.161826	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+ACN+H"	42.033826
"1217978"	175.097826	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+ACN+H"	42.033826
"1201858"	88.052551	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+ACN+2H"	43.041102
"195823"	311.09916	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+2Na-H"	44.97116
"636479"	444.16316	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+2Na-H"	44.97116
"1143265"	178.03516	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2Na-H"	44.97116
"187165"	156.053218	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+2Na"	45.978436
"627579"	222.585218	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+2Na"	45.978436
"1128529"	89.521218	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2Na"	45.978436
"1410959"	60.0165706666667	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H+2Na"	46.985712
"1441981"	180.076746	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H+HCOOH"	47.012746
"229867"	161.08624	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+3H2O+2H"	56.04448
"1516470"	194.12879	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+IsoProp+H"	61.06479
"419071"	164.040188	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+Na+K"	61.952376
"781890"	230.572188	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+Na+K"	61.952376
"1676762"	97.508188	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Na+K"	61.952376
"263647"	330.143768	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+ACN+Na"	64.015768
"1241121"	197.079768	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+ACN+Na"	64.015768
"1726337"	197.103293	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+NH4+HCOOH"	64.039293
"1190234"	67.3438846666667	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+3Na"	68.967654
"1662314"	202.058688	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Na+HCOOH"	68.994688
"168085"	343.04704	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+2K-H"	76.91904
"606549"	476.11104	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+2K-H"	76.91904
"1095803"	209.98304	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2K-H"	76.91904
"151526"	172.027158	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"2M+2K"	77.926316
"594731"	238.559158	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"3M+2K"	77.926316
"1079608"	105.495158	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2K"	77.926316
"1109170"	211.997592	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2K+H"	78.933592
"1345556"	212.085207	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+DMSO+H"	79.021207
"1011167"	216.124376	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2ACN+H"	83.060376
"1533301"	217.118008	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+IsoProp+Na+H"	84.054008
"996833"	108.565826	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+2ACN+2H"	84.067652
"1590246"	218.032628	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+K+HCOOH"	84.968628
"1417361"	248.064138	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+H+CF3COOH"	115.000138
"1148380"	129.079101	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+3ACN+2H"	125.094202
"1706690"	265.090685	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+NH4+CF3COOH"	132.026685
"1644527"	270.04608	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+Na+CF3COOH"	136.98208
"1575805"	286.02002	"C10901"	"2-Aminobenzimidazole"	"C7H7N3"	"133.064"	"M+K+CF3COOH"	152.95602
"812731"	207.0644	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M"	0
"984079"	188.04601	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-H2O-H"	-19.01839
"75599"	137.035657333333	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M-3H"	-3.021828
"509696"	206.057124	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M-3H"	-3.021828
"884218"	68.0141906666667	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-3H"	-3.021828
"3887"	206.057124	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M-2H"	-2.014552
"446726"	309.589324	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M-2H"	-2.014552
"822341"	102.524924	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-2H"	-2.014552
"81239"	413.121524	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M-H"	-1.007276
"520555"	620.185924	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M-H"	-1.007276
"899696"	206.057124	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-H"	-1.007276
"52248"	430.148071	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M-2H+NH4"	16.019271
"493634"	637.212471	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M-2H+NH4"	16.019271
"869250"	223.083671	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-2H+NH4"	16.019271
"40433"	435.103466	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M-2H+Na"	20.974666
"475252"	642.167866	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M-2H+Na"	20.974666
"850014"	228.039066	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-2H+Na"	20.974666
"1622226"	228.039066	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Na-2H"	20.974666
"101670"	224.045463	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M-H+Cl"	33.962126
"536126"	327.577663	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M-H+Cl"	33.962126
"933650"	120.513263	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-H+Cl"	33.962126
"272207"	449.098202	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+Cl"	34.969402
"670104"	656.162602	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+Cl"	34.969402
"1280319"	242.033802	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Cl"	34.969402
"25062"	451.077406	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M-2H+K"	36.948606
"463529"	658.141806	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M-2H+K"	36.948606
"841330"	244.013006	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-2H+K"	36.948606
"1560446"	244.013006	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+K-2H"	36.948606
"946141"	252.062594	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-H+HCOOH"	44.998194
"372011"	459.127001	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+HCOOH-H"	44.998201
"356987"	473.142651	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+Hac-H"	59.013851
"1502539"	266.078251	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Hac-H"	59.013851
"965707"	274.044551	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-H+NaCOOH"	66.980151
"114616"	242.033802	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+2Cl"	69.938804
"553083"	345.566002	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+2Cl"	69.938804
"1022609"	138.501602	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2Cl"	69.938804
"1245837"	285.983285	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Br"	78.918885
"1307554"	288.039272	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Cl+HCOOH"	80.974872
"1323593"	310.021229	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Cl+NaCOOH"	102.956829
"915014"	320.049986	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M-H+CF3COOH"	112.985586
"1292084"	356.026664	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Cl+CF3COOH"	148.962264
"1372803"	172.051724	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H-2H2O"	-35.012676
"1391401"	190.0617	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H-H2O"	-17.0027
"287806"	415.136076	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+H"	1.007276
"685694"	622.200476	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+H"	1.007276
"1357675"	208.071676	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H"	1.007276
"136030"	208.071676	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+2H"	2.014552
"567210"	311.603876	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+2H"	2.014552
"1037342"	104.539476	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2H"	2.014552
"205244"	139.050209333333	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+3H"	3.021828
"644804"	208.071676	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+3H"	3.021828
"1163173"	70.0287426666667	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+3H"	3.021828
"425352"	432.162623	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+NH4"	18.033823
"786956"	639.227023	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+NH4"	18.033823
"1682196"	225.098223	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+NH4"	18.033823
"331563"	216.5849495	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+H+NH4"	19.041099
"724346"	320.1171495	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+H+NH4"	19.041099
"1478537"	113.0527495	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H+NH4"	19.041099
"398312"	437.118018	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+Na"	22.989218
"754809"	644.182418	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+Na"	22.989218
"1603394"	230.053618	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Na"	22.989218
"315254"	219.062647	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+H+Na"	23.996494
"713146"	322.594847	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+H+Na"	23.996494
"1466967"	115.530447	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H+Na"	23.996494
"1060215"	77.3560566666667	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2H+Na"	25.00377
"1257998"	240.097886	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+CH3OH+H"	33.033486
"379739"	453.091958	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+K"	38.963158
"742556"	660.156358	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+K"	38.963158
"1541331"	246.027558	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+K"	38.963158
"301787"	227.049617	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+H+K"	39.970434
"695666"	330.581817	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+H+K"	39.970434
"1449120"	123.517417	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H+K"	39.970434
"247201"	456.162626	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+ACN+H"	42.033826
"1216993"	249.098226	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+ACN+H"	42.033826
"1199781"	125.052751	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+ACN+2H"	43.041102
"193747"	459.09996	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+2Na-H"	44.97116
"643153"	666.16436	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+2Na-H"	44.97116
"1145079"	252.03556	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2Na-H"	44.97116
"187640"	230.053618	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+2Na"	45.978436
"626594"	333.585818	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+2Na"	45.978436
"1130464"	126.521418	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2Na"	45.978436
"1412163"	84.6833706666667	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H+2Na"	46.985712
"1440999"	254.077146	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H+HCOOH"	47.012746
"229609"	235.08664	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+3H2O+2H"	56.04448
"1519498"	268.12919	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+IsoProp+H"	61.06479
"417724"	238.040588	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+Na+K"	61.952376
"781273"	341.572788	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+Na+K"	61.952376
"1674685"	134.508388	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Na+K"	61.952376
"264125"	478.144568	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+ACN+Na"	64.015768
"1239020"	271.080168	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+ACN+Na"	64.015768
"1725717"	271.103693	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+NH4+HCOOH"	64.039293
"1189980"	92.0106846666667	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+3Na"	68.967654
"1662790"	276.059088	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Na+HCOOH"	68.994688
"166371"	491.04784	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+2K-H"	76.91904
"606661"	698.11224	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+2K-H"	76.91904
"1093725"	283.98344	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2K-H"	76.91904
"152730"	246.027558	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"2M+2K"	77.926316
"595696"	349.559758	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"3M+2K"	77.926316
"1079354"	142.495358	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2K"	77.926316
"1105271"	285.997992	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2K+H"	78.933592
"1343842"	286.085607	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+DMSO+H"	79.021207
"1013463"	290.124776	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2ACN+H"	83.060376
"1534506"	291.118408	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+IsoProp+Na+H"	84.054008
"996946"	145.566026	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+2ACN+2H"	84.067652
"1587801"	292.033028	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+K+HCOOH"	84.968628
"1417109"	322.064538	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+H+CF3COOH"	115.000138
"1148125"	166.079301	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+3ACN+2H"	125.094202
"1699136"	339.091085	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+NH4+CF3COOH"	132.026685
"1641357"	344.04648	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+Na+CF3COOH"	136.98208
"1575915"	360.02042	"C10902"	"Methyl 5-hydroxy-2-benzimidazole carbamate"	"C9H9N3O3"	"207.0644"	"M+K+CF3COOH"	152.95602
"812841"	274.1933	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M"	0
"983094"	255.17491	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-H2O-H"	-19.01839
"76804"	181.788257333333	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M-3H"	-3.021828
"506526"	273.186024	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M-3H"	-3.021828
"884328"	90.3904906666667	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-3H"	-3.021828
"11652"	273.186024	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M-2H"	-2.014552
"447930"	410.282674	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M-2H"	-2.014552
"830107"	136.089374	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-2H"	-2.014552
"87911"	547.379324	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M-H"	-1.007276
"519816"	821.572624	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M-H"	-1.007276
"911190"	273.186024	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-H"	-1.007276
"60742"	564.405871	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M-2H+NH4"	16.019271
"497024"	838.599171	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M-2H+NH4"	16.019271
"871911"	290.212571	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-2H+NH4"	16.019271
"39449"	569.361266	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M-2H+Na"	20.974666
"474998"	843.554566	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M-2H+Na"	20.974666
"850366"	295.167966	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-2H+Na"	20.974666
"1619901"	295.167966	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Na-2H"	20.974666
"99593"	291.174363	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M-H+Cl"	33.962126
"536237"	428.271013	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M-H+Cl"	33.962126
"935949"	154.077713	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-H+Cl"	33.962126
"269156"	583.356002	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+Cl"	34.969402
"664740"	857.549302	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+Cl"	34.969402
"1274957"	309.162702	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Cl"	34.969402
"25169"	585.335206	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M-2H+K"	36.948606
"459263"	859.528506	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M-2H+K"	36.948606
"834880"	311.141906	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-2H+K"	36.948606
"1561650"	311.141906	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+K-2H"	36.948606
"948437"	319.191494	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-H+HCOOH"	44.998194
"371028"	593.384801	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+HCOOH-H"	44.998201
"357097"	607.400451	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+Hac-H"	59.013851
"1500461"	333.207151	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Hac-H"	59.013851
"963628"	341.173451	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-H+NaCOOH"	66.980151
"113631"	309.162702	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+2Cl"	69.938804
"553557"	446.259352	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+2Cl"	69.938804
"1023085"	172.066052	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2Cl"	69.938804
"1243759"	353.112185	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Br"	78.918885
"1305113"	355.168172	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Cl+HCOOH"	80.974872
"1321516"	377.150129	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Cl+NaCOOH"	102.956829
"914393"	387.178886	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M-H+CF3COOH"	112.985586
"1290007"	423.155564	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Cl+CF3COOH"	148.962264
"1370725"	239.180624	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H-2H2O"	-35.012676
"1387137"	257.1906	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H-H2O"	-17.0027
"285729"	549.393876	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+H"	1.007276
"678149"	823.587176	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+H"	1.007276
"1358878"	275.200576	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H"	1.007276
"136140"	275.200576	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+2H"	2.014552
"567318"	412.297226	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+2H"	2.014552
"1037694"	138.103926	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2H"	2.014552
"206936"	183.802809333333	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+3H"	3.021828
"646860"	275.200576	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+3H"	3.021828
"1164618"	92.4050426666667	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+3H"	3.021828
"426433"	566.420423	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+NH4"	18.033823
"788520"	840.613723	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+NH4"	18.033823
"1683398"	292.227123	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+NH4"	18.033823
"331672"	283.7138495	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+H+NH4"	19.041099
"724456"	420.8104995	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+H+NH4"	19.041099
"1480835"	146.6171995	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H+NH4"	19.041099
"398422"	571.375818	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+Na"	22.989218
"756137"	845.569118	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+Na"	22.989218
"1606422"	297.182518	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Na"	22.989218
"317553"	286.191547	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+H+Na"	23.996494
"713256"	423.288197	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+H+Na"	23.996494
"1468170"	149.094897	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H+Na"	23.996494
"1060325"	99.7323566666667	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2H+Na"	25.00377
"1259452"	307.226786	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+CH3OH+H"	33.033486
"380943"	587.349758	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+K"	38.963158
"743760"	861.543058	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+K"	38.963158
"1541196"	313.156458	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+K"	38.963158
"303355"	294.178517	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+H+K"	39.970434
"699785"	431.275167	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+H+K"	39.970434
"1451417"	157.081867	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H+K"	39.970434
"248767"	590.420426	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+ACN+H"	42.033826
"1222569"	316.227126	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+ACN+H"	42.033826
"1203175"	158.617201	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+ACN+2H"	43.041102
"197137"	593.35776	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+2Na-H"	44.97116
"643142"	867.55106	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+2Na-H"	44.97116
"1141300"	319.16446	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2Na-H"	44.97116
"188237"	297.182518	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+2Na"	45.978436
"627803"	434.279168	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+2Na"	45.978436
"1130983"	160.085868	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2Na"	45.978436
"1413534"	107.059670666667	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H+2Na"	46.985712
"1445084"	321.206046	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H+HCOOH"	47.012746
"230812"	302.21554	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+3H2O+2H"	56.04448
"1517419"	335.25809	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+IsoProp+H"	61.06479
"420020"	305.169488	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+Na+K"	61.952376
"780655"	442.266138	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+Na+K"	61.952376
"1672608"	168.072838	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Na+K"	61.952376
"261316"	612.402368	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+ACN+Na"	64.015768
"1239858"	338.209068	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+ACN+Na"	64.015768
"1726191"	338.232593	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+NH4+HCOOH"	64.039293
"1190818"	114.386984666667	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+3Na"	68.967654
"1663993"	343.187988	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Na+HCOOH"	68.994688
"167574"	625.30564	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+2K-H"	76.91904
"607135"	899.49894	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+2K-H"	76.91904
"1093108"	351.11234	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2K-H"	76.91904
"152840"	313.156458	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"2M+2K"	77.926316
"590942"	450.253108	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"3M+2K"	77.926316
"1078736"	176.059808	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2K"	77.926316
"1102463"	353.126892	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2K+H"	78.933592
"1337393"	353.214507	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+DMSO+H"	79.021207
"1013574"	357.253676	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2ACN+H"	83.060376
"1536073"	358.247308	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+IsoProp+Na+H"	84.054008
"999241"	179.130476	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+2ACN+2H"	84.067652
"1594838"	359.161928	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+K+HCOOH"	84.968628
"1417582"	389.193438	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+H+CF3COOH"	115.000138
"1148597"	199.643751	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+3ACN+2H"	125.094202
"1699610"	406.219985	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+NH4+CF3COOH"	132.026685
"1641467"	411.17538	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+Na+CF3COOH"	136.98208
"1576025"	427.14932	"C10903"	"Cinmethylin"	"C18H26O2"	"274.1933"	"M+K+CF3COOH"	152.95602
"814774"	382.1893	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M"	0
"979924"	363.17091	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-H2O-H"	-19.01839
"75821"	253.785590666667	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M-3H"	-3.021828
"503597"	381.182024	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M-3H"	-3.021828
"884437"	126.389157333333	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-3H"	-3.021828
"7386"	381.182024	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M-2H"	-2.014552
"443665"	572.276674	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M-2H"	-2.014552
"823654"	190.087374	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-2H"	-2.014552
"80364"	763.371324	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M-H"	-1.007276
"522111"	1145.560624	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M-H"	-1.007276
"898819"	381.182024	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-H"	-1.007276
"49549"	780.397871	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M-2H+NH4"	16.019271
"493854"	1162.587171	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M-2H+NH4"	16.019271
"871657"	398.208571	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-2H+NH4"	16.019271
"39559"	785.353266	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M-2H+Na"	20.974666
"472920"	1167.542566	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M-2H+Na"	20.974666
"850475"	403.163966	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-2H+Na"	20.974666
"1619529"	403.163966	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Na-2H"	20.974666
"99703"	399.170363	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M-H+Cl"	33.962126
"537077"	590.265013	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M-H+Cl"	33.962126
"933872"	208.075713	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-H+Cl"	33.962126
"270240"	799.348002	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+Cl"	34.969402
"665944"	1181.537302	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+Cl"	34.969402
"1275432"	417.158702	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Cl"	34.969402
"25279"	801.327206	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M-2H+K"	36.948606
"462653"	1183.516506	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M-2H+K"	36.948606
"837177"	419.137906	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-2H+K"	36.948606
"1561760"	419.137906	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+K-2H"	36.948606
"948547"	427.187494	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-H+HCOOH"	44.998194
"371138"	809.376801	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+HCOOH-H"	44.998201
"352832"	823.392451	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+Hac-H"	59.013851
"1500571"	441.203151	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Hac-H"	59.013851
"965925"	449.169451	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-H+NaCOOH"	66.980151
"113741"	417.158702	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+2Cl"	69.938804
"553303"	608.253352	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+2Cl"	69.938804
"1022465"	226.064052	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2Cl"	69.938804
"1244233"	461.108185	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Br"	78.918885
"1305587"	463.164172	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Cl+HCOOH"	80.974872
"1321990"	485.146129	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Cl+NaCOOH"	102.956829
"914868"	495.174886	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M-H+CF3COOH"	112.985586
"1289389"	531.151564	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Cl+CF3COOH"	148.962264
"1369742"	347.176624	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H-2H2O"	-35.012676
"1383962"	365.1866	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H-H2O"	-17.0027
"285836"	765.385876	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+H"	1.007276
"682630"	1147.575176	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+H"	1.007276
"1354976"	383.196576	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H"	1.007276
"135155"	383.196576	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+2H"	2.014552
"566698"	574.291226	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+2H"	2.014552
"1037683"	192.101926	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2H"	2.014552
"205344"	255.800142666667	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+3H"	3.021828
"646239"	383.196576	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+3H"	3.021828
"1164365"	128.403709333333	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+3H"	3.021828
"424719"	782.412423	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+NH4"	18.033823
"786444"	1164.601723	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+NH4"	18.033823
"1682048"	400.223123	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+NH4"	18.033823
"330322"	391.7098495	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+H+NH4"	19.041099
"723473"	582.8044995	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+H+NH4"	19.041099
"1479851"	200.6151995	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H+NH4"	19.041099
"395252"	787.367818	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+Na"	22.989218
"756247"	1169.557118	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+Na"	22.989218
"1603616"	405.178518	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Na"	22.989218
"318756"	394.187547	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+H+Na"	23.996494
"712273"	585.282197	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+H+Na"	23.996494
"1464271"	203.092897	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H+Na"	23.996494
"1059341"	135.731023333333	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2H+Na"	25.00377
"1257740"	415.222786	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+CH3OH+H"	33.033486
"377445"	803.341758	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+K"	38.963158
"741683"	1185.531058	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+K"	38.963158
"1542642"	421.152458	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+K"	38.963158
"304192"	402.174517	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+H+K"	39.970434
"699894"	593.269167	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+H+K"	39.970434
"1453715"	211.079867	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H+K"	39.970434
"246691"	806.412426	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+ACN+H"	42.033826
"1219399"	424.223126	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+ACN+H"	42.033826
"1198910"	212.615201	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+ACN+2H"	43.041102
"195059"	809.34976	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+2Na-H"	44.97116
"640089"	1191.53906	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+2Na-H"	44.97116
"1143595"	427.16046	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2Na-H"	44.97116
"188311"	405.178518	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+2Na"	45.978436
"627912"	596.273168	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+2Na"	45.978436
"1130321"	214.083868	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2Na"	45.978436
"1414054"	143.058337333333	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H+2Na"	46.985712
"1445233"	429.202046	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H+HCOOH"	47.012746
"229829"	410.21154	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+3H2O+2H"	56.04448
"1517893"	443.25409	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+H"	61.06479
"419765"	413.165488	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+Na+K"	61.952376
"781856"	604.260138	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+Na+K"	61.952376
"1672718"	222.070838	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Na+K"	61.952376
"261426"	828.394368	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+ACN+Na"	64.015768
"1234864"	446.205068	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+ACN+Na"	64.015768
"1724111"	446.228593	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+NH4+HCOOH"	64.039293
"1190562"	150.385651333333	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+3Na"	68.967654
"1662643"	451.183988	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Na+HCOOH"	68.994688
"169505"	841.29764	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+2K-H"	76.91904
"609066"	1223.48694	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+2K-H"	76.91904
"1096134"	459.10834	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2K-H"	76.91904
"154408"	421.152458	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"2M+2K"	77.926316
"594334"	612.247108	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"3M+2K"	77.926316
"1076659"	230.057808	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2K"	77.926316
"1100028"	461.122892	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2K+H"	78.933592
"1337623"	461.210507	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+DMSO+H"	79.021207
"1012595"	465.249676	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2ACN+H"	83.060376
"1535090"	466.243308	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+Na+H"	84.054008
"1001538"	233.128476	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+2ACN+2H"	84.067652
"1593857"	467.157928	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+K+HCOOH"	84.968628
"1419516"	497.189438	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+H+CF3COOH"	115.000138
"1148709"	253.641751	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+3ACN+2H"	125.094202
"1699355"	514.215985	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+NH4+CF3COOH"	132.026685
"1644857"	519.17138	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+Na+CF3COOH"	136.98208
"1576135"	535.14532	"C10904"	"Cabucine"	"C22H26N2O4"	"382.1893"	"M+K+CF3COOH"	152.95602
"814156"	180.0634	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M"	0
"983314"	161.04501	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"71558"	119.034990666667	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"513305"	179.056124	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"891106"	59.0138573333333	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"9681"	179.056124	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444866"	269.087824	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"822669"	89.024424	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"81564"	359.119524	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"521491"	539.182924	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"900026"	179.056124	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"48444"	376.146071	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"488492"	556.209471	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"868483"	196.082671	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"34926"	381.101466	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"477404"	561.164866	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"849738"	201.038066	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1625468"	201.038066	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"105278"	197.044463	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"548362"	287.076163	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"938356"	107.012763	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"279099"	395.096202	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"663870"	575.159602	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1277366"	215.032802	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"22106"	397.075406	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"457297"	577.138806	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"836193"	217.012006	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1561867"	217.012006	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"955221"	225.061594	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"372341"	405.125001	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"355129"	419.140651	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1502867"	239.077251	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"964946"	247.043551	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"111300"	215.032802	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"552318"	305.064502	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1026591"	125.001102	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1245071"	258.982285	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1308614"	261.038272	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1327204"	283.020229	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"913155"	293.048986	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296066"	329.025664	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1369855"	145.050724	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1387350"	163.0607	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"287036"	361.134076	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"675896"	541.197476	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1351367"	181.070676	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"128345"	181.070676	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"566082"	271.102376	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1037429"	91.038976	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"205336"	121.049542666667	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"645863"	181.070676	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1164112"	61.0284093333333	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"424504"	378.160623	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"786554"	558.224023	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1682160"	198.097223	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"330802"	189.5839495	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"724312"	279.6156495	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1477205"	99.5522495	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"392844"	383.116018	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"754656"	563.179418	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1608831"	203.052618	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"315587"	192.061647	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"710197"	282.093347	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1461706"	102.029947	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1053983"	68.3557233333333	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1257604"	213.096886	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"377881"	399.089958	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"739240"	579.153358	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1540566"	219.026558	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"303211"	200.048617	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"694537"	290.080317	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1449450"	110.016917	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"242429"	402.160626	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1216229"	222.097226	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1199018"	111.552251	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"192983"	405.09796	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"639105"	585.16136	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1140425"	225.03456	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"182622"	203.052618	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624369"	293.084318	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1126783"	113.020918	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1412494"	75.6830373333333	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1435873"	227.076146	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"221191"	208.08564	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1510715"	241.12819	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"415504"	211.039588	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"775402"	301.071288	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1678293"	121.007888	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265907"	424.142568	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1236428"	244.079168	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1723129"	244.102693	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1190308"	83.0103513333333	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1661659"	249.058088	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"167427"	437.04584	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"608081"	617.10924	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1095874"	256.98244	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"155247"	219.026558	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"590069"	309.058258	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1071661"	128.994858	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1104507"	258.996992	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1345266"	259.084607	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1009420"	263.123776	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1526452"	264.117408	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"997273"	132.065526	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1596151"	265.032028	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1423998"	295.063538	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1147730"	152.578801	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1704943"	312.090085	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1637314"	317.04548	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1576246"	333.01942	"C10906"	"D-Fructose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"812080"	429.031	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M"	0
"982331"	410.01261	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-H2O-H"	-19.01839
"71667"	285.013390666667	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M-3H"	-3.021828
"510135"	428.023724	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M-3H"	-3.021828
"890123"	142.003057333333	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-3H"	-3.021828
"7602"	428.023724	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M-2H"	-2.014552
"443885"	642.539224	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M-2H"	-2.014552
"819133"	213.508224	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-2H"	-2.014552
"81676"	857.054724	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M-H"	-1.007276
"521237"	1286.085724	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M-H"	-1.007276
"900136"	428.023724	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-H"	-1.007276
"49406"	874.081271	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M-2H+NH4"	16.019271
"489697"	1303.112271	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M-2H+NH4"	16.019271
"868593"	445.050271	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-2H+NH4"	16.019271
"35400"	879.036666	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M-2H+Na"	20.974666
"477514"	1308.067666	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M-2H+Na"	20.974666
"852764"	450.005666	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-2H+Na"	20.974666
"1627765"	450.005666	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Na-2H"	20.974666
"103203"	446.012063	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M-H+Cl"	33.962126
"546043"	660.527563	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M-H+Cl"	33.962126
"936278"	231.496563	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-H+Cl"	33.962126
"274835"	893.031402	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+Cl"	34.969402
"661547"	1322.062402	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+Cl"	34.969402
"1275290"	464.000402	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Cl"	34.969402
"18939"	895.010606	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M-2H+K"	36.948606
"456799"	1324.041606	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M-2H+K"	36.948606
"836304"	465.979606	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-2H+K"	36.948606
"1563072"	465.979606	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+K-2H"	36.948606
"952049"	474.029194	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-H+HCOOH"	44.998194
"368076"	903.060201	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+HCOOH-H"	44.998201
"355240"	917.075851	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+Hac-H"	59.013851
"1500791"	488.044851	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Hac-H"	59.013851
"963963"	496.011151	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-H+NaCOOH"	66.980151
"111774"	464.000402	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+2Cl"	69.938804
"552427"	678.515902	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+2Cl"	69.938804
"1027794"	249.484902	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2Cl"	69.938804
"1242872"	507.949885	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Br"	78.918885
"1308724"	510.005872	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Cl+HCOOH"	80.974872
"1326221"	531.987829	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Cl+NaCOOH"	102.956829
"911605"	542.016586	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M-H+CF3COOH"	112.985586
"1296178"	577.993264	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Cl+CF3COOH"	148.962264
"1368871"	394.018324	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H-2H2O"	-35.012676
"1387461"	412.0283	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H-H2O"	-17.0027
"284963"	859.069276	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+H"	1.007276
"677752"	1288.100276	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+H"	1.007276
"1358113"	430.038276	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H"	1.007276
"128091"	430.038276	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+2H"	2.014552
"567650"	644.553776	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+2H"	2.014552
"1038023"	215.522776	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2H"	2.014552
"205202"	287.027942666667	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+3H"	3.021828
"645733"	430.038276	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+3H"	3.021828
"1165678"	144.017609333333	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+3H"	3.021828
"425669"	876.095823	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+NH4"	18.033823
"787029"	1305.126823	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+NH4"	18.033823
"1682633"	447.064823	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+NH4"	18.033823
"330908"	438.5515495	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+H+NH4"	19.041099
"724300"	653.0670495	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+H+NH4"	19.041099
"1477557"	224.0360495	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H+NH4"	19.041099
"392951"	881.051218	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+Na"	22.989218
"754766"	1310.082218	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+Na"	22.989218
"1603595"	452.020218	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Na"	22.989218
"314846"	441.029247	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+H+Na"	23.996494
"707509"	655.544747	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+H+Na"	23.996494
"1461443"	226.513747	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H+Na"	23.996494
"1052879"	151.344923333333	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2H+Na"	25.00377
"1257219"	462.064486	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+CH3OH+H"	33.033486
"377298"	897.025158	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+K"	38.963158
"738628"	1326.056158	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+K"	38.963158
"1539982"	467.994158	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+K"	38.963158
"301132"	449.016217	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+H+K"	39.970434
"694646"	663.531717	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+H+K"	39.970434
"1449560"	234.500717	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H+K"	39.970434
"242539"	900.095826	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+ACN+H"	42.033826
"1214153"	471.064826	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+ACN+H"	42.033826
"1198036"	236.036051	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+ACN+2H"	43.041102
"193094"	903.03316	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+2Na-H"	44.97116
"638122"	1332.06416	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+2Na-H"	44.97116
"1138349"	474.00216	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2Na-H"	44.97116
"182731"	452.020218	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+2Na"	45.978436
"622292"	666.535718	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+2Na"	45.978436
"1128352"	237.504718	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2Na"	45.978436
"1408229"	158.672237333333	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H+2Na"	46.985712
"1435983"	476.043746	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H+HCOOH"	47.012746
"220369"	457.05324	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+3H2O+2H"	56.04448
"1512647"	490.09579	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+IsoProp+H"	61.06479
"414520"	460.007188	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+Na+K"	61.952376
"774420"	674.522688	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+Na+K"	61.952376
"1677310"	245.491688	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Na+K"	61.952376
"263828"	922.077768	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+ACN+Na"	64.015768
"1237631"	493.046768	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+ACN+Na"	64.015768
"1723605"	493.070293	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+NH4+HCOOH"	64.039293
"1188959"	165.999551333333	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+3Na"	68.967654
"1661403"	498.025688	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Na+HCOOH"	68.994688
"169724"	934.98104	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+2K-H"	76.91904
"608192"	1364.01204	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+2K-H"	76.91904
"1094892"	505.95004	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2K-H"	76.91904
"152803"	467.994158	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"2M+2K"	77.926316
"594189"	682.509658	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"3M+2K"	77.926316
"1072501"	253.478658	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2K"	77.926316
"1107901"	507.964592	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2K+H"	78.933592
"1348660"	508.052207	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+DMSO+H"	79.021207
"1009530"	512.091376	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2ACN+H"	83.060376
"1527655"	513.085008	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+IsoProp+Na+H"	84.054008
"996290"	256.549326	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+2ACN+2H"	84.067652
"1596261"	513.999628	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+K+HCOOH"	84.968628
"1424107"	544.031138	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+H+CF3COOH"	115.000138
"1147840"	277.062601	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+3ACN+2H"	125.094202
"1705053"	561.057685	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+NH4+CF3COOH"	132.026685
"1637424"	566.01308	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+Na+CF3COOH"	136.98208
"1576356"	581.98702	"C10907"	"Cloransulam-methyl"	"C15H13ClFN5O5S"	"429.031"	"M+K+CF3COOH"	152.95602
"812189"	403.0227	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M"	0
"982441"	384.00431	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-H2O-H"	-19.01839
"68497"	267.674524	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M-3H"	-3.021828
"509152"	402.015424	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M-3H"	-3.021828
"886953"	133.333624	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-3H"	-3.021828
"7712"	402.015424	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M-2H"	-2.014552
"443993"	603.526774	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M-2H"	-2.014552
"818635"	200.504074	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-2H"	-2.014552
"82148"	805.038124	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M-H"	-1.007276
"520374"	1208.060824	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M-H"	-1.007276
"900610"	402.015424	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-H"	-1.007276
"49516"	822.064671	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M-2H+NH4"	16.019271
"493087"	1225.087371	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M-2H+NH4"	16.019271
"868703"	419.041971	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-2H+NH4"	16.019271
"34782"	827.020066	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M-2H+Na"	20.974666
"477988"	1230.042766	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M-2H+Na"	20.974666
"859437"	423.997366	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-2H+Na"	20.974666
"1625689"	423.997366	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Na-2H"	20.974666
"103313"	420.003763	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M-H+Cl"	33.962126
"546152"	621.515113	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M-H+Cl"	33.962126
"937482"	218.492413	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-H+Cl"	33.962126
"280413"	841.014802	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+Cl"	34.969402
"662145"	1244.037502	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+Cl"	34.969402
"1275400"	437.992102	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Cl"	34.969402
"22329"	842.994006	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M-2H+K"	36.948606
"460796"	1246.016706	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M-2H+K"	36.948606
"837509"	439.971306	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-2H+K"	36.948606
"1560996"	439.971306	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+K-2H"	36.948606
"947786"	448.020894	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-H+HCOOH"	44.998194
"369280"	851.043601	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+HCOOH-H"	44.998201
"357539"	865.059251	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+Hac-H"	59.013851
"1501995"	462.036551	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Hac-H"	59.013851
"967353"	470.002851	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-H+NaCOOH"	66.980151
"117354"	437.992102	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+2Cl"	69.938804
"552539"	639.503452	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+2Cl"	69.938804
"1027904"	236.480752	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2Cl"	69.938804
"1243470"	481.941585	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Br"	78.918885
"1305188"	483.997572	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Cl+HCOOH"	80.974872
"1325239"	505.979529	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Cl+NaCOOH"	102.956829
"914106"	516.008286	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M-H+CF3COOH"	112.985586
"1295196"	551.984964	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Cl+CF3COOH"	148.962264
"1368981"	368.010024	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H-2H2O"	-35.012676
"1384410"	386.02	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H-H2O"	-17.0027
"285071"	807.052676	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+H"	1.007276
"677498"	1210.075376	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+H"	1.007276
"1362598"	404.029976	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H"	1.007276
"134399"	404.029976	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+2H"	2.014552
"567275"	605.541326	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+2H"	2.014552
"1038991"	202.518626	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2H"	2.014552
"207381"	269.689076	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+3H"	3.021828
"646207"	404.029976	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+3H"	3.021828
"1164334"	135.348176	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+3H"	3.021828
"426877"	824.079223	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+NH4"	18.033823
"788234"	1227.101923	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+NH4"	18.033823
"1683113"	421.056523	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+NH4"	18.033823
"331382"	412.5432495	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+H+NH4"	19.041099
"724170"	614.0545995	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+H+NH4"	19.041099
"1477504"	211.0318995	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H+NH4"	19.041099
"393390"	829.034618	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+Na"	22.989218
"755484"	1232.057318	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+Na"	22.989218
"1603947"	426.011918	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Na"	22.989218
"316901"	415.020947	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+H+Na"	23.996494
"710053"	616.532297	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+H+Na"	23.996494
"1461798"	213.509597	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H+Na"	23.996494
"1053461"	142.67549	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2H+Na"	25.00377
"1257451"	436.056186	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+CH3OH+H"	33.033486
"377643"	845.008558	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+K"	38.963158
"739013"	1248.031258	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+K"	38.963158
"1543700"	441.985858	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+K"	38.963158
"300514"	423.007917	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+H+K"	39.970434
"695850"	624.519267	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+H+K"	39.970434
"1451857"	221.496567	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H+K"	39.970434
"239368"	848.079226	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+ACN+H"	42.033826
"1215357"	445.056526	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+ACN+H"	42.033826
"1201425"	223.031901	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+ACN+2H"	43.041102
"194298"	851.01656	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+2Na-H"	44.97116
"636046"	1254.03926	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+2Na-H"	44.97116
"1140646"	447.99386	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2Na-H"	44.97116
"182841"	426.011918	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+2Na"	45.978436
"626899"	627.523268	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+2Na"	45.978436
"1129799"	224.500568	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2Na"	45.978436
"1411256"	150.002804	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H+2Na"	46.985712
"1442653"	450.035446	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H+HCOOH"	47.012746
"226882"	431.04494	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+3H2O+2H"	56.04448
"1519319"	464.08749	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+IsoProp+H"	61.06479
"417911"	433.998888	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+Na+K"	61.952376
"776717"	635.510238	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+Na+K"	61.952376
"1678516"	232.487538	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Na+K"	61.952376
"264668"	870.061168	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+ACN+Na"	64.015768
"1237742"	467.038468	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+ACN+Na"	64.015768
"1724077"	467.061993	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+NH4+HCOOH"	64.039293
"1188340"	157.330118	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+3Na"	68.967654
"1659692"	472.017388	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Na+HCOOH"	68.994688
"169106"	882.96444	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+2K-H"	76.91904
"611462"	1285.98714	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+2K-H"	76.91904
"1096097"	479.94174	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2K-H"	76.91904
"152913"	441.985858	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"2M+2K"	77.926316
"588102"	643.497208	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"3M+2K"	77.926316
"1074799"	240.474508	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2K"	77.926316
"1113478"	481.956292	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2K+H"	78.933592
"1349499"	482.043907	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+DMSO+H"	79.021207
"1012922"	486.083076	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2ACN+H"	83.060376
"1532139"	487.076708	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+IsoProp+Na+H"	84.054008
"996400"	243.545176	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+2ACN+2H"	84.067652
"1597466"	487.991328	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+K+HCOOH"	84.968628
"1424217"	518.022838	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+H+CF3COOH"	115.000138
"1147463"	264.058451	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+3ACN+2H"	125.094202
"1705163"	535.049385	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+NH4+CF3COOH"	132.026685
"1637534"	540.00478	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+Na+CF3COOH"	136.98208
"1576466"	555.97872	"C10908"	"Fluthiacet-methyl"	"C15H15ClFN3O3S2"	"403.0227"	"M+K+CF3COOH"	152.95602
"812302"	221.0623	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M"	0
"984739"	202.04391	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-H2O-H"	-19.01839
"69699"	146.367590666667	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M-3H"	-3.021828
"513634"	220.055024	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M-3H"	-3.021828
"884877"	72.6801573333333	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-3H"	-3.021828
"6730"	220.055024	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M-2H"	-2.014552
"443740"	330.586174	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M-2H"	-2.014552
"818625"	109.523874	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-2H"	-2.014552
"82985"	441.117324	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M-H"	-1.007276
"523640"	662.179624	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M-H"	-1.007276
"897803"	220.055024	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-H"	-1.007276
"48406"	458.143871	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M-2H+NH4"	16.019271
"488579"	679.206171	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M-2H+NH4"	16.019271
"868813"	237.081571	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-2H+NH4"	16.019271
"34892"	463.099266	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M-2H+Na"	20.974666
"475546"	684.161566	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M-2H+Na"	20.974666
"855173"	242.036966	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-2H+Na"	20.974666
"1625799"	242.036966	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Na-2H"	20.974666
"104516"	238.043363	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M-H+Cl"	33.962126
"546262"	348.574513	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M-H+Cl"	33.962126
"938687"	127.512213	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-H+Cl"	33.962126
"279428"	477.094002	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+Cl"	34.969402
"662741"	698.156302	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+Cl"	34.969402
"1276603"	256.031702	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Cl"	34.969402
"21347"	479.073206	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M-2H+K"	36.948606
"465281"	700.135506	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M-2H+K"	36.948606
"837619"	258.010906	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-2H+K"	36.948606
"1561104"	258.010906	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+K-2H"	36.948606
"946071"	266.060494	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-H+HCOOH"	44.998194
"368297"	487.122801	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+HCOOH-H"	44.998201
"355462"	501.138451	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+Hac-H"	59.013851
"1501012"	280.076151	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Hac-H"	59.013851
"966369"	288.042451	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-H+NaCOOH"	66.980151
"116372"	256.031702	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+2Cl"	69.938804
"552283"	366.562852	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+2Cl"	69.938804
"1025093"	145.500552	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2Cl"	69.938804
"1243580"	299.981185	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Br"	78.918885
"1306027"	302.037172	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Cl+HCOOH"	80.974872
"1324256"	324.019129	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Cl+NaCOOH"	102.956829
"916402"	334.047886	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M-H+CF3COOH"	112.985586
"1298587"	370.024564	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Cl+CF3COOH"	148.962264
"1367636"	186.049624	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H-2H2O"	-35.012676
"1385493"	204.0596	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H-H2O"	-17.0027
"284086"	443.131876	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+H"	1.007276
"679428"	664.194176	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+H"	1.007276
"1362708"	222.069576	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H"	1.007276
"127947"	222.069576	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+2H"	2.014552
"570059"	332.600726	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+2H"	2.014552
"1039587"	111.538426	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2H"	2.014552
"207855"	148.382142666667	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+3H"	3.021828
"647413"	222.069576	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+3H"	3.021828
"1167362"	74.6947093333333	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+3H"	3.021828
"427348"	460.158423	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+NH4"	18.033823
"787981"	681.220723	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+NH4"	18.033823
"1685775"	239.096123	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+NH4"	18.033823
"331494"	230.5828495	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+H+NH4"	19.041099
"723554"	341.1139995	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+H+NH4"	19.041099
"1477058"	120.0516995	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H+NH4"	19.041099
"393016"	465.113818	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+Na"	22.989218
"755957"	686.176118	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+Na"	22.989218
"1604055"	244.051518	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Na"	22.989218
"317011"	233.060547	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+H+Na"	23.996494
"708338"	343.591697	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+H+Na"	23.996494
"1461460"	122.529397	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H+Na"	23.996494
"1056506"	82.0220233333333	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2H+Na"	25.00377
"1257932"	254.095786	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+CH3OH+H"	33.033486
"377234"	481.087758	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+K"	38.963158
"739081"	702.150058	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+K"	38.963158
"1540891"	260.025458	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+K"	38.963158
"303538"	241.047517	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+H+K"	39.970434
"698147"	351.578667	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+H+K"	39.970434
"1447593"	130.516367	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H+K"	39.970434
"240570"	484.158426	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+ACN+H"	42.033826
"1214373"	263.096126	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+ACN+H"	42.033826
"1199349"	132.051701	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+ACN+2H"	43.041102
"192220"	487.09576	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+2Na-H"	44.97116
"633968"	708.15806	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+2Na-H"	44.97116
"1137475"	266.03346	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2Na-H"	44.97116
"182951"	244.051518	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+2Na"	45.978436
"627858"	354.582668	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+2Na"	45.978436
"1128206"	133.520368	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2Na"	45.978436
"1409543"	89.3493373333333	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H+2Na"	46.985712
"1442763"	268.075046	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H+HCOOH"	47.012746
"232460"	249.08454	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+3H2O+2H"	56.04448
"1520522"	282.12709	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+IsoProp+H"	61.06479
"420937"	252.038488	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+Na+K"	61.952376
"779015"	362.569638	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+Na+K"	61.952376
"1676438"	141.507338	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Na+K"	61.952376
"265871"	506.140368	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+ACN+Na"	64.015768
"1239673"	285.078068	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+ACN+Na"	64.015768
"1726372"	285.101593	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+NH4+HCOOH"	64.039293
"1188816"	96.6766513333333	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+3Na"	68.967654
"1659802"	290.056988	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Na+HCOOH"	68.994688
"169947"	519.04364	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+2K-H"	76.91904
"612306"	740.10594	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+2K-H"	76.91904
"1097180"	297.98134	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2K-H"	76.91904
"153024"	260.025458	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"2M+2K"	77.926316
"593680"	370.556608	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"3M+2K"	77.926316
"1072724"	149.494308	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2K"	77.926316
"1109213"	299.995892	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2K+H"	78.933592
"1348880"	300.083507	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+DMSO+H"	79.021207
"1013032"	304.122676	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2ACN+H"	83.060376
"1532249"	305.116308	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+IsoProp+Na+H"	84.054008
"998698"	152.564976	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+2ACN+2H"	84.067652
"1596484"	306.030928	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+K+HCOOH"	84.968628
"1419954"	336.062438	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+H+CF3COOH"	115.000138
"1148061"	173.078251	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+3ACN+2H"	125.094202
"1711471"	353.088985	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+NH4+CF3COOH"	132.026685
"1645299"	358.04438	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+Na+CF3COOH"	136.98208
"1586417"	374.01832	"C10909"	"Methabenzthiazuron"	"C10H11N3OS"	"221.0623"	"M+K+CF3COOH"	152.95602
"813502"	181.002	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M"	0
"987035"	161.98361	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-H2O-H"	-19.01839
"75278"	119.660724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M-3H"	-3.021828
"510466"	179.994724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M-3H"	-3.021828
"887175"	59.326724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-3H"	-3.021828
"5748"	179.994724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M-2H"	-2.014552
"443486"	270.495724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M-2H"	-2.014552
"820195"	89.493724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-2H"	-2.014552
"86376"	360.996724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M-H"	-1.007276
"521928"	541.998724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M-H"	-1.007276
"898642"	179.994724	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-H"	-1.007276
"49004"	378.023271	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M-2H+NH4"	16.019271
"492579"	559.025271	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M-2H+NH4"	16.019271
"876582"	197.021271	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-2H+NH4"	16.019271
"43391"	382.978666	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M-2H+Na"	20.974666
"484045"	563.980666	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M-2H+Na"	20.974666
"855284"	201.976666	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-2H+Na"	20.974666
"1625911"	201.976666	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Na-2H"	20.974666
"104627"	197.983063	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M-H+Cl"	33.962126
"547467"	288.484063	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M-H+Cl"	33.962126
"935514"	107.482063	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-H+Cl"	33.962126
"277352"	396.973402	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+Cl"	34.969402
"664309"	577.975402	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+Cl"	34.969402
"1278169"	215.971402	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Cl"	34.969402
"21454"	398.952606	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M-2H+K"	36.948606
"468671"	579.954606	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M-2H+K"	36.948606
"836633"	217.950606	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-2H+K"	36.948606
"1562307"	217.950606	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+K-2H"	36.948606
"946910"	226.000194	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-H+HCOOH"	44.998194
"368407"	407.002201	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+HCOOH-H"	44.998201
"355572"	421.017851	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+Hac-H"	59.013851
"1500392"	240.015851	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Hac-H"	59.013851
"969759"	247.982151	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-H+NaCOOH"	66.980151
"117573"	215.971402	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+2Cl"	69.938804
"554217"	306.472402	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+2Cl"	69.938804
"1025933"	125.470402	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2Cl"	69.938804
"1245511"	259.920885	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Br"	78.918885
"1307962"	261.976872	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Cl+HCOOH"	80.974872
"1325459"	283.958829	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Cl+NaCOOH"	102.956829
"918698"	293.987586	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M-H+CF3COOH"	112.985586
"1300884"	329.964264	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Cl+CF3COOH"	148.962264
"1367748"	145.989324	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H-2H2O"	-35.012676
"1384513"	163.9993	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H-H2O"	-17.0027
"284928"	363.011276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+H"	1.007276
"680999"	544.013276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+H"	1.007276
"1360632"	182.009276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H"	1.007276
"125900"	182.009276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+2H"	2.014552
"569077"	272.510276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+2H"	2.014552
"1040427"	91.508276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2H"	2.014552
"206508"	121.675276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+3H"	3.021828
"649346"	182.009276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+3H"	3.021828
"1167472"	61.341276	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+3H"	3.021828
"427464"	380.037823	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+NH4"	18.033823
"789552"	561.039823	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+NH4"	18.033823
"1686978"	199.035823	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+NH4"	18.033823
"331242"	190.5225495	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+H+NH4"	19.041099
"725122"	281.0235495	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+H+NH4"	19.041099
"1480767"	100.0215495	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H+NH4"	19.041099
"395074"	384.993218	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+Na"	22.989218
"756430"	565.995218	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+Na"	22.989218
"1604290"	203.991218	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Na"	22.989218
"315419"	193.000247	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+H+Na"	23.996494
"708934"	283.501247	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+H+Na"	23.996494
"1462999"	102.499247	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H+Na"	23.996494
"1058804"	68.66859	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2H+Na"	25.00377
"1259022"	214.035486	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+CH3OH+H"	33.033486
"379417"	400.967158	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+K"	38.963158
"738950"	581.969158	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+K"	38.963158
"1542100"	219.965158	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+K"	38.963158
"300366"	200.987217	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+H+K"	39.970434
"694247"	291.488217	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+H+K"	39.970434
"1449525"	110.486217	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H+K"	39.970434
"240681"	404.037826	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+ACN+H"	42.033826
"1215212"	223.035826	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+ACN+H"	42.033826
"1198731"	112.021551	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+ACN+2H"	43.041102
"195610"	406.97516	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+2Na-H"	44.97116
"634075"	587.97716	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+2Na-H"	44.97116
"1134301"	225.97316	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2Na-H"	44.97116
"177229"	203.991218	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+2Na"	45.978436
"626995"	294.492218	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+2Na"	45.978436
"1125035"	113.490218	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2Na"	45.978436
"1408558"	75.995904	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H+2Na"	46.985712
"1443968"	228.014746	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H+HCOOH"	47.012746
"231477"	209.02424	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+3H2O+2H"	56.04448
"1518447"	242.06679	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+IsoProp+H"	61.06479
"418133"	211.978188	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+Na+K"	61.952376
"782410"	302.479188	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+Na+K"	61.952376
"1678375"	121.477188	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Na+K"	61.952376
"265988"	426.019768	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+ACN+Na"	64.015768
"1239059"	245.017768	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+ACN+Na"	64.015768
"1728070"	245.041293	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+NH4+HCOOH"	64.039293
"1190019"	83.323218	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+3Na"	68.967654
"1665019"	249.996688	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Na+HCOOH"	68.994688
"170058"	438.92304	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+2K-H"	76.91904
"612173"	619.92504	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+2K-H"	76.91904
"1096318"	257.92104	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2K-H"	76.91904
"155933"	219.965158	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"2M+2K"	77.926316
"589415"	310.466158	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"3M+2K"	77.926316
"1077208"	129.464158	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2K"	77.926316
"1109325"	259.935592	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2K+H"	78.933592
"1344613"	260.023207	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+DMSO+H"	79.021207
"1015329"	264.062376	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2ACN+H"	83.060376
"1528350"	265.056008	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+IsoProp+Na+H"	84.054008
"996621"	132.534826	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+2ACN+2H"	84.067652
"1594404"	265.970628	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+K+HCOOH"	84.968628
"1418971"	296.002138	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+H+CF3COOH"	115.000138
"1150354"	153.048101	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+3ACN+2H"	125.094202
"1704290"	313.028685	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+NH4+CF3COOH"	132.026685
"1645409"	317.98408	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+Na+CF3COOH"	136.98208
"1576686"	333.95802	"C10910"	"2-Methylthiobenzothiazole"	"C8H7NS2"	"181.002"	"M+K+CF3COOH"	152.95602
"812519"	260.016	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M"	0
"980587"	240.99761	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-H2O-H"	-19.01839
"69922"	172.336724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M-3H"	-3.021828
"504622"	259.008724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M-3H"	-3.021828
"886193"	85.664724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-3H"	-3.021828
"5861"	259.008724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M-2H"	-2.014552
"440273"	389.016724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M-2H"	-2.014552
"819211"	129.000724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-2H"	-2.014552
"79929"	519.024724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M-H"	-1.007276
"521676"	779.040724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M-H"	-1.007276
"900576"	259.008724	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-H"	-1.007276
"49114"	536.051271	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M-2H+NH4"	16.019271
"498889"	796.067271	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M-2H+NH4"	16.019271
"876694"	276.035271	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-2H+NH4"	16.019271
"35482"	541.006666	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M-2H+Na"	20.974666
"473946"	801.022666	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M-2H+Na"	20.974666
"851382"	280.990666	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-2H+Na"	20.974666
"1621644"	280.990666	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Na-2H"	20.974666
"100361"	276.997063	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M-H+Cl"	33.962126
"537735"	407.005063	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M-H+Cl"	33.962126
"930159"	146.989063	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-H+Cl"	33.962126
"274548"	555.001402	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+Cl"	34.969402
"661260"	815.017402	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+Cl"	34.969402
"1275727"	294.985402	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Cl"	34.969402
"17676"	556.980606	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M-2H+K"	36.948606
"460032"	816.996606	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M-2H+K"	36.948606
"836743"	296.964606	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-2H+K"	36.948606
"1560229"	296.964606	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+K-2H"	36.948606
"945927"	305.014194	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-H+HCOOH"	44.998194
"367423"	565.030201	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+HCOOH-H"	44.998201
"352765"	579.045851	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+Hac-H"	59.013851
"1502689"	319.029851	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Hac-H"	59.013851
"964402"	326.996151	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-H+NaCOOH"	66.980151
"110876"	294.985402	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+2Cl"	69.938804
"550924"	424.993402	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+2Cl"	69.938804
"1022762"	164.977402	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2Cl"	69.938804
"1242340"	338.934885	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Br"	78.918885
"1306249"	340.990872	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Cl+HCOOH"	80.974872
"1324476"	362.972829	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Cl+NaCOOH"	102.956829
"911642"	373.001586	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M-H+CF3COOH"	112.985586
"1295524"	408.978264	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Cl+CF3COOH"	148.962264
"1368586"	225.003324	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H-2H2O"	-35.012676
"1384016"	243.0133	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H-H2O"	-17.0027
"283458"	521.039276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+H"	1.007276
"680016"	781.055276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+H"	1.007276
"1355273"	261.023276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H"	1.007276
"131445"	261.023276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+2H"	2.014552
"566749"	391.031276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+2H"	2.014552
"1038107"	131.015276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2H"	2.014552
"205637"	174.351276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+3H"	3.021828
"646539"	261.023276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+3H"	3.021828
"1165757"	87.679276	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+3H"	3.021828
"426477"	538.065823	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+NH4"	18.033823
"788567"	798.081823	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+NH4"	18.033823
"1682708"	278.049823	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+NH4"	18.033823
"330498"	269.5365495	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+H+NH4"	19.041099
"723285"	399.5445495	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+H+NH4"	19.041099
"1477095"	139.5285495	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H+NH4"	19.041099
"395548"	543.021218	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+Na"	22.989218
"754288"	803.037218	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+Na"	22.989218
"1604399"	283.005218	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Na"	22.989218
"315160"	272.014247	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+H+Na"	23.996494
"707826"	402.022247	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+H+Na"	23.996494
"1464569"	142.006247	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H+Na"	23.996494
"1058914"	95.00659	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2H+Na"	25.00377
"1261684"	293.049486	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+CH3OH+H"	33.033486
"379527"	558.995158	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+K"	38.963158
"738599"	819.011158	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+K"	38.963158
"1544398"	298.979158	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+K"	38.963158
"298582"	280.001217	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+H+K"	39.970434
"696181"	410.009217	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+H+K"	39.970434
"1446232"	149.993217	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H+K"	39.970434
"238238"	562.065826	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+ACN+H"	42.033826
"1213135"	302.049826	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+ACN+H"	42.033826
"1199205"	151.528551	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+ACN+2H"	43.041102
"192804"	565.00316	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+2Na-H"	44.97116
"631270"	825.01916	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+2Na-H"	44.97116
"1136963"	304.98716	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2Na-H"	44.97116
"176244"	283.005218	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+2Na"	45.978436
"618724"	413.013218	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+2Na"	45.978436
"1122229"	152.997218	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2Na"	45.978436
"1402474"	102.333904	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H+2Na"	46.985712
"1444079"	307.028746	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H+HCOOH"	47.012746
"231589"	288.03824	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+3H2O+2H"	56.04448
"1518556"	321.08079	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+IsoProp+H"	61.06479
"419336"	290.992188	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+Na+K"	61.952376
"783612"	421.000188	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+Na+K"	61.952376
"1679943"	160.984188	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Na+K"	61.952376
"263910"	584.047768	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+ACN+Na"	64.015768
"1239901"	324.031768	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+ACN+Na"	64.015768
"1726965"	324.055293	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+NH4+HCOOH"	64.039293
"1190131"	109.661218	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+3Na"	68.967654
"1665573"	329.010688	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Na+HCOOH"	68.994688
"171261"	596.95104	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+2K-H"	76.91904
"612445"	856.96704	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+2K-H"	76.91904
"1095335"	336.93504	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2K-H"	76.91904
"156164"	298.979158	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"2M+2K"	77.926316
"591712"	428.987158	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"3M+2K"	77.926316
"1076223"	168.971158	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2K"	77.926316
"1109435"	338.949592	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2K+H"	78.933592
"1346912"	339.037207	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+DMSO+H"	79.021207
"1014345"	343.076376	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2ACN+H"	83.060376
"1529190"	344.070008	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+IsoProp+Na+H"	84.054008
"996732"	172.041826	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+2ACN+2H"	84.067652
"1590141"	344.984628	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+K+HCOOH"	84.968628
"1417991"	375.016138	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+H+CF3COOH"	115.000138
"1151557"	192.555101	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+3ACN+2H"	125.094202
"1704400"	392.042685	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+NH4+CF3COOH"	132.026685
"1645519"	396.99808	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+Na+CF3COOH"	136.98208
"1576796"	412.97202	"C10911"	"Bromacil"	"C9H13BrN2O2"	"260.016"	"M+K+CF3COOH"	152.95602
"813722"	305.1562	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M"	0
"983977"	286.13781	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-H2O-H"	-19.01839
"73313"	202.430190666667	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M-3H"	-3.021828
"507407"	304.148924	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M-3H"	-3.021828
"886303"	100.711457333333	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-3H"	-3.021828
"5971"	304.148924	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M-2H"	-2.014552
"440155"	456.727024	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M-2H"	-2.014552
"818957"	151.570824	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-2H"	-2.014552
"80039"	609.305124	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M-H"	-1.007276
"520693"	914.461324	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M-H"	-1.007276
"901050"	304.148924	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-H"	-1.007276
"48495"	626.331671	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M-2H+NH4"	16.019271
"500092"	931.487871	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M-2H+NH4"	16.019271
"878626"	321.175471	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-2H+NH4"	16.019271
"34136"	631.287066	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M-2H+Na"	20.974666
"473327"	936.443266	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M-2H+Na"	20.974666
"849305"	326.130866	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-2H+Na"	20.974666
"1620663"	326.130866	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Na-2H"	20.974666
"97191"	322.137263	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M-H+Cl"	33.962126
"542218"	474.715363	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M-H+Cl"	33.962126
"928447"	169.559163	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-H+Cl"	33.962126
"274294"	645.281802	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+Cl"	34.969402
"664531"	950.438002	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+Cl"	34.969402
"1275839"	340.125602	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Cl"	34.969402
"17666"	647.261006	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M-2H+K"	36.948606
"459050"	952.417206	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M-2H+K"	36.948606
"839040"	342.104806	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-2H+K"	36.948606
"1560340"	342.104806	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+K-2H"	36.948606
"948224"	350.154394	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-H+HCOOH"	44.998194
"368627"	655.310601	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+HCOOH-H"	44.998201
"355791"	669.326251	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+Hac-H"	59.013851
"1503529"	364.170051	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Hac-H"	59.013851
"965606"	372.136351	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-H+NaCOOH"	66.980151
"112325"	340.125602	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+2Cl"	69.938804
"551156"	492.703702	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+2Cl"	69.938804
"1022507"	187.547502	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2Cl"	69.938804
"1242450"	384.075085	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Br"	78.918885
"1308182"	386.131072	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Cl+HCOOH"	80.974872
"1320576"	408.113029	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Cl+NaCOOH"	102.956829
"911995"	418.141786	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M-H+CF3COOH"	112.985586
"1292354"	454.118464	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Cl+CF3COOH"	148.962264
"1367476"	270.143524	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H-2H2O"	-35.012676
"1383396"	288.1535	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H-H2O"	-17.0027
"283325"	611.319676	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+H"	1.007276
"677572"	916.475876	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+H"	1.007276
"1355383"	306.163476	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H"	1.007276
"133742"	306.163476	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+2H"	2.014552
"567105"	458.741576	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+2H"	2.014552
"1038822"	153.585376	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2H"	2.014552
"207818"	204.444742666667	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+3H"	3.021828
"645920"	306.163476	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+3H"	3.021828
"1164411"	102.726009333333	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+3H"	3.021828
"427683"	628.346223	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+NH4"	18.033823
"789772"	933.502423	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+NH4"	18.033823
"1682093"	323.190023	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+NH4"	18.033823
"330611"	314.6767495	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+H+NH4"	19.041099
"722919"	467.2548495	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+H+NH4"	19.041099
"1477418"	162.0986495	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H+NH4"	19.041099
"396024"	633.301618	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+Na"	22.989218
"754824"	938.457818	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+Na"	22.989218
"1604146"	328.145418	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Na"	22.989218
"314705"	317.154447	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+H+Na"	23.996494
"707410"	469.732547	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+H+Na"	23.996494
"1463585"	164.576347	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H+Na"	23.996494
"1059024"	110.053323333333	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2H+Na"	25.00377
"1263982"	338.189686	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+CH3OH+H"	33.033486
"384742"	649.275558	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+K"	38.963158
"741363"	954.431758	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+K"	38.963158
"1542324"	344.119358	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+K"	38.963158
"300226"	325.141417	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+H+K"	39.970434
"698478"	477.719517	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+H+K"	39.970434
"1449383"	172.563317	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H+K"	39.970434
"241994"	652.346226	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+ACN+H"	42.033826
"1217984"	347.190026	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+ACN+H"	42.033826
"1198951"	174.098651	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+ACN+2H"	43.041102
"194007"	655.28356	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+2Na-H"	44.97116
"632109"	960.43976	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+2Na-H"	44.97116
"1136709"	350.12736	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2Na-H"	44.97116
"175990"	328.145418	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+2Na"	45.978436
"619927"	480.723518	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+2Na"	45.978436
"1121609"	175.567318	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2Na"	45.978436
"1403313"	117.380637333333	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H+2Na"	46.985712
"1444187"	352.168946	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H+HCOOH"	47.012746
"231698"	333.17844	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+3H2O+2H"	56.04448
"1518666"	366.22099	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+IsoProp+H"	61.06479
"417259"	336.132388	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+Na+K"	61.952376
"780442"	488.710488	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+Na+K"	61.952376
"1680622"	183.554288	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Na+K"	61.952376
"262927"	674.328168	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+ACN+Na"	64.015768
"1238188"	369.171968	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+ACN+Na"	64.015768
"1725982"	369.195493	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+NH4+HCOOH"	64.039293
"1189148"	124.707951333333	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+3Na"	68.967654
"1664266"	374.150888	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Na+HCOOH"	68.994688
"169185"	687.23144	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+2K-H"	76.91904
"609839"	992.38764	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+2K-H"	76.91904
"1098725"	382.07524	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2K-H"	76.91904
"155543"	344.119358	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"2M+2K"	77.926316
"594983"	496.697458	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"3M+2K"	77.926316
"1079615"	191.541258	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2K"	77.926316
"1115385"	384.089792	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2K+H"	78.933592
"1345929"	384.177407	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+DMSO+H"	79.021207
"1013362"	388.216576	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2ACN+H"	83.060376
"1530394"	389.210208	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+IsoProp+Na+H"	84.054008
"995749"	194.611926	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+2ACN+2H"	84.067652
"1591344"	390.124828	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+K+HCOOH"	84.968628
"1418101"	420.156338	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+H+CF3COOH"	115.000138
"1150210"	215.125201	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+3ACN+2H"	125.094202
"1704510"	437.182885	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+NH4+CF3COOH"	132.026685
"1645629"	442.13828	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+Na+CF3COOH"	136.98208
"1586747"	458.11222	"C10912"	"Buprofezin"	"C16H23N3OS"	"305.1562"	"M+K+CF3COOH"	152.95602
"811649"	325.1712	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M"	0
"980807"	306.15281	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-H2O-H"	-19.01839
"63582"	215.773524	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M-3H"	-3.021828
"508611"	324.163924	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M-3H"	-3.021828
"880113"	107.383124	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-3H"	-3.021828
"4259"	324.163924	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M-2H"	-2.014552
"443455"	486.749524	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M-2H"	-2.014552
"818338"	161.578324	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-2H"	-2.014552
"83431"	649.335124	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M-H"	-1.007276
"519830"	974.506324	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M-H"	-1.007276
"900796"	324.163924	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-H"	-1.007276
"48966"	666.361671	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M-2H+NH4"	16.019271
"500202"	991.532871	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M-2H+NH4"	16.019271
"877766"	341.190471	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-2H+NH4"	16.019271
"33516"	671.317066	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M-2H+Na"	20.974666
"473437"	996.488266	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M-2H+Na"	20.974666
"849415"	346.145866	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-2H+Na"	20.974666
"1621866"	346.145866	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Na-2H"	20.974666
"100581"	342.152263	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M-H+Cl"	33.962126
"542328"	504.737863	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M-H+Cl"	33.962126
"931474"	179.566663	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-H+Cl"	33.962126
"271124"	685.311802	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+Cl"	34.969402
"660002"	1010.483002	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+Cl"	34.969402
"1273557"	360.140602	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Cl"	34.969402
"18507"	687.291006	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M-2H+K"	36.948606
"458066"	1012.462206	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M-2H+K"	36.948606
"839150"	362.119806	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-2H+K"	36.948606
"1558263"	362.119806	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+K-2H"	36.948606
"946148"	370.169394	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-H+HCOOH"	44.998194
"364362"	695.340601	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+HCOOH-H"	44.998201
"351526"	709.356251	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+Hac-H"	59.013851
"1501449"	384.185051	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Hac-H"	59.013851
"960975"	392.151351	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-H+NaCOOH"	66.980151
"110610"	360.140602	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+2Cl"	69.938804
"550659"	522.726202	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+2Cl"	69.938804
"1022374"	197.555002	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2Cl"	69.938804
"1241339"	404.090085	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Br"	78.918885
"1306226"	406.146072	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Cl+HCOOH"	80.974872
"1320684"	428.128029	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Cl+NaCOOH"	102.956829
"912022"	438.156786	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M-H+CF3COOH"	112.985586
"1292464"	474.133464	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Cl+CF3COOH"	148.962264
"1367343"	290.158524	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H-2H2O"	-35.012676
"1383751"	308.1685	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H-H2O"	-17.0027
"283019"	651.349676	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+H"	1.007276
"677318"	976.520876	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+H"	1.007276
"1354035"	326.178476	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H"	1.007276
"133852"	326.178476	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+2H"	2.014552
"569040"	488.764076	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+2H"	2.014552
"1040027"	163.592876	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2H"	2.014552
"207928"	217.788076	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+3H"	3.021828
"647123"	326.178476	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+3H"	3.021828
"1164521"	109.397676	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+3H"	3.021828
"427793"	668.376223	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+NH4"	18.033823
"790975"	993.547423	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+NH4"	18.033823
"1682932"	343.205023	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+NH4"	18.033823
"330114"	334.6917495	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+H+NH4"	19.041099
"723139"	497.2773495	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+H+NH4"	19.041099
"1477164"	172.1061495	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H+NH4"	19.041099
"396134"	673.331618	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+Na"	22.989218
"754813"	998.502818	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+Na"	22.989218
"1604135"	348.160418	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Na"	22.989218
"314406"	337.169447	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+H+Na"	23.996494
"707206"	499.755047	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+H+Na"	23.996494
"1464425"	174.583847	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H+Na"	23.996494
"1060228"	116.72499	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2H+Na"	25.00377
"1265186"	358.204686	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+CH3OH+H"	33.033486
"384852"	689.305558	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+K"	38.963158
"740376"	1014.476758	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+K"	38.963158
"1543527"	364.134358	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+K"	38.963158
"302522"	345.156417	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+H+K"	39.970434
"699681"	507.742017	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+H+K"	39.970434
"1452773"	182.570817	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H+K"	39.970434
"241375"	692.376226	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+ACN+H"	42.033826
"1220281"	367.205026	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+ACN+H"	42.033826
"1197238"	184.106151	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+ACN+2H"	43.041102
"193024"	695.31356	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+2Na-H"	44.97116
"634772"	1020.48476	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+2Na-H"	44.97116
"1135362"	370.14236	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2Na-H"	44.97116
"175007"	348.160418	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+2Na"	45.978436
"618216"	510.746018	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+2Na"	45.978436
"1121719"	185.574818	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2Na"	45.978436
"1403423"	124.052304	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H+2Na"	46.985712
"1442111"	372.183946	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H+HCOOH"	47.012746
"229621"	353.19344	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+3H2O+2H"	56.04448
"1517683"	386.23599	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+IsoProp+H"	61.06479
"417370"	356.147388	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+Na+K"	61.952376
"781646"	518.732988	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+Na+K"	61.952376
"1678706"	193.561788	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Na+K"	61.952376
"261216"	714.358168	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+ACN+Na"	64.015768
"1237204"	389.186968	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+ACN+Na"	64.015768
"1726090"	389.210493	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+NH4+HCOOH"	64.039293
"1187068"	131.379618	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+3Na"	68.967654
"1663524"	394.165888	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Na+HCOOH"	68.994688
"166013"	727.26144	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+2K-H"	76.91904
"608854"	1052.43264	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+2K-H"	76.91904
"1092275"	402.09024	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2K-H"	76.91904
"151279"	364.134358	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"2M+2K"	77.926316
"590839"	526.719958	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"3M+2K"	77.926316
"1079725"	201.548758	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2K"	77.926316
"1113786"	404.104792	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2K+H"	78.933592
"1349319"	404.192407	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+DMSO+H"	79.021207
"1012378"	408.231576	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2ACN+H"	83.060376
"1531597"	409.225208	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+IsoProp+Na+H"	84.054008
"995858"	204.619426	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+2ACN+2H"	84.067652
"1592549"	410.139828	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+K+HCOOH"	84.968628
"1419304"	440.171338	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+H+CF3COOH"	115.000138
"1152877"	225.132701	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+3ACN+2H"	125.094202
"1697329"	457.197885	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+NH4+CF3COOH"	132.026685
"1639177"	462.15328	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+Na+CF3COOH"	136.98208
"1586857"	478.12722	"C10913"	"Cycloxydim"	"C17H27NO3S"	"325.1712"	"M+K+CF3COOH"	152.95602
"815036"	225.1266	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M"	0
"989299"	206.10821	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-H2O-H"	-19.01839
"66972"	149.077124	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M-3H"	-3.021828
"508721"	224.119324	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M-3H"	-3.021828
"881054"	74.034924	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-3H"	-3.021828
"4005"	224.119324	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M-2H"	-2.014552
"440770"	336.682624	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M-2H"	-2.014552
"818084"	111.556024	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-2H"	-2.014552
"85727"	449.245924	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M-H"	-1.007276
"523100"	674.372524	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M-H"	-1.007276
"901634"	224.119324	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-H"	-1.007276
"50539"	466.272471	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M-2H+NH4"	16.019271
"500312"	691.399071	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M-2H+NH4"	16.019271
"878604"	241.145871	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-2H+NH4"	16.019271
"37272"	471.227866	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M-2H+Na"	20.974666
"475008"	696.354466	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M-2H+Na"	20.974666
"852806"	246.101266	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-2H+Na"	20.974666
"1623068"	246.101266	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Na-2H"	20.974666
"102878"	242.107663	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M-H+Cl"	33.962126
"545719"	354.670963	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M-H+Cl"	33.962126
"933771"	129.544363	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-H+Cl"	33.962126
"274514"	485.222602	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+Cl"	34.969402
"662563"	710.349202	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+Cl"	34.969402
"1279339"	260.096002	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Cl"	34.969402
"18617"	487.201806	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M-2H+K"	36.948606
"462550"	712.328406	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M-2H+K"	36.948606
"840352"	262.075206	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-2H+K"	36.948606
"1563840"	262.075206	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+K-2H"	36.948606
"946258"	270.124794	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-H+HCOOH"	44.998194
"369939"	495.251401	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+HCOOH-H"	44.998201
"352729"	509.267051	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+Hac-H"	59.013851
"1500466"	284.140451	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Hac-H"	59.013851
"961816"	292.106751	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-H+NaCOOH"	66.980151
"113639"	260.096002	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+2Cl"	69.938804
"554293"	372.659302	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+2Cl"	69.938804
"1026374"	147.532702	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2Cl"	69.938804
"1247045"	304.045485	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Br"	78.918885
"1308403"	306.101472	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Cl+HCOOH"	80.974872
"1321161"	328.083429	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Cl+NaCOOH"	102.956829
"912583"	338.112186	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M-H+CF3COOH"	112.985586
"1298041"	374.088864	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Cl+CF3COOH"	148.962264
"1370012"	190.113924	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H-2H2O"	-35.012676
"1389330"	208.1239	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H-H2O"	-17.0027
"289016"	451.260476	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+H"	1.007276
"675719"	676.387076	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+H"	1.007276
"1355603"	226.133876	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H"	1.007276
"127277"	226.133876	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+2H"	2.014552
"566836"	338.697176	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+2H"	2.014552
"1038435"	113.570576	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2H"	2.014552
"206945"	151.091676	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+3H"	3.021828
"646869"	226.133876	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+3H"	3.021828
"1167911"	76.049476	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+3H"	3.021828
"427903"	468.287023	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+NH4"	18.033823
"791086"	693.413623	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+NH4"	18.033823
"1685229"	243.160423	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+NH4"	18.033823
"334599"	234.6471495	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+H+NH4"	19.041099
"726290"	347.2104495	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+H+NH4"	19.041099
"1477923"	122.0838495	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H+NH4"	19.041099
"396243"	473.242418	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+Na"	22.989218
"757237"	698.369018	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+Na"	22.989218
"1606432"	248.115818	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Na"	22.989218
"316466"	237.124847	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+H+Na"	23.996494
"711076"	349.688147	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+H+Na"	23.996494
"1464170"	124.561547	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H+Na"	23.996494
"1054869"	83.37679	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2H+Na"	25.00377
"1259826"	258.160086	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+CH3OH+H"	33.033486
"379493"	489.216358	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+K"	38.963158
"741579"	714.342958	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+K"	38.963158
"1545822"	264.089758	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+K"	38.963158
"302266"	245.111817	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+H+K"	39.970434
"698697"	357.675117	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+H+K"	39.970434
"1452518"	132.548517	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H+K"	39.970434
"245492"	492.287026	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+ACN+H"	42.033826
"1218204"	267.160426	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+ACN+H"	42.033826
"1199900"	134.083851	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+ACN+2H"	43.041102
"194956"	495.22436	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+2Na-H"	44.97116
"634153"	720.35096	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+2Na-H"	44.97116
"1137294"	270.09776	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2Na-H"	44.97116
"183501"	248.115818	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+2Na"	45.978436
"620876"	360.679118	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+2Na"	45.978436
"1122558"	135.552518	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2Na"	45.978436
"1406812"	90.704104	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H+2Na"	46.985712
"1435659"	272.139346	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H+HCOOH"	47.012746
"229731"	253.14884	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+3H2O+2H"	56.04448
"1515606"	286.19139	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+IsoProp+H"	61.06479
"414198"	256.102788	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+Na+K"	61.952376
"781028"	368.666088	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+Na+K"	61.952376
"1676631"	143.539488	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Na+K"	61.952376
"260233"	514.268968	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+ACN+Na"	64.015768
"1236221"	289.142368	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+ACN+Na"	64.015768
"1721826"	289.165893	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+NH4+HCOOH"	64.039293
"1186086"	98.031418	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+3Na"	68.967654
"1662541"	294.121288	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Na+HCOOH"	68.994688
"167215"	527.17224	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+2K-H"	76.91904
"603499"	752.29884	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+2K-H"	76.91904
"1096760"	302.04564	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2K-H"	76.91904
"148108"	264.089758	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"2M+2K"	77.926316
"588763"	376.653058	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"3M+2K"	77.926316
"1079832"	151.526458	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2K"	77.926316
"1112924"	304.060192	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2K+H"	78.933592
"1349307"	304.147807	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+DMSO+H"	79.021207
"1010301"	308.186976	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2ACN+H"	83.060376
"1526360"	309.180608	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+IsoProp+Na+H"	84.054008
"993782"	154.597126	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+2ACN+2H"	84.067652
"1590473"	310.095228	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+K+HCOOH"	84.968628
"1416134"	340.126738	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+H+CF3COOH"	115.000138
"1151894"	175.110401	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+3ACN+2H"	125.094202
"1697803"	357.153285	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+NH4+CF3COOH"	132.026685
"1639287"	362.10868	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+Na+CF3COOH"	136.98208
"1586967"	378.08262	"C10914"	"Cyprodinil"	"C14H15N3"	"225.1266"	"M+K+CF3COOH"	152.95602
"814052"	430.1125	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M"	0
"989409"	411.09411	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-H2O-H"	-19.01839
"70362"	285.734390666667	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M-3H"	-3.021828
"508831"	429.105224	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M-3H"	-3.021828
"881164"	142.363557333333	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-3H"	-3.021828
"6302"	429.105224	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M-2H"	-2.014552
"443675"	644.161474	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M-2H"	-2.014552
"818923"	214.048974	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-2H"	-2.014552
"82558"	859.217724	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M-H"	-1.007276
"519931"	1289.330224	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M-H"	-1.007276
"901016"	429.105224	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-H"	-1.007276
"48097"	876.244271	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M-2H+NH4"	16.019271
"499329"	1306.356771	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M-2H+NH4"	16.019271
"879485"	446.131771	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-2H+NH4"	16.019271
"43942"	881.199666	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M-2H+Na"	20.974666
"478034"	1311.312166	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M-2H+Na"	20.974666
"851823"	451.087166	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-2H+Na"	20.974666
"1625366"	451.087166	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Na-2H"	20.974666
"102988"	447.093563	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M-H+Cl"	33.962126
"546922"	662.149813	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M-H+Cl"	33.962126
"936068"	232.037313	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-H+Cl"	33.962126
"277904"	895.194402	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+Cl"	34.969402
"664860"	1325.306902	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+Cl"	34.969402
"1283823"	465.081902	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Cl"	34.969402
"25287"	897.173606	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M-2H+K"	36.948606
"467034"	1327.286106	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M-2H+K"	36.948606
"843742"	467.061106	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-2H+K"	36.948606
"1563950"	467.061106	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+K-2H"	36.948606
"945273"	475.110694	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-H+HCOOH"	44.998194
"371142"	905.223201	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+HCOOH-H"	44.998201
"349923"	919.238851	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+Hac-H"	59.013851
"1498389"	489.126351	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Hac-H"	59.013851
"961562"	497.092651	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-H+NaCOOH"	66.980151
"115937"	465.081902	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+2Cl"	69.938804
"555498"	680.138152	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+2Cl"	69.938804
"1027578"	250.025652	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2Cl"	69.938804
"1244968"	509.031385	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Br"	78.918885
"1308513"	511.087372	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Cl+HCOOH"	80.974872
"1322000"	533.069329	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Cl+NaCOOH"	102.956829
"911638"	543.098086	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M-H+CF3COOH"	112.985586
"1298151"	579.074764	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Cl+CF3COOH"	148.962264
"1369757"	395.099824	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H-2H2O"	-35.012676
"1389438"	413.1098	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H-H2O"	-17.0027
"288029"	861.232276	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+H"	1.007276
"682637"	1291.344776	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+H"	1.007276
"1358987"	431.119776	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H"	1.007276
"127503"	431.119776	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+2H"	2.014552
"567429"	646.176026	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+2H"	2.014552
"1038058"	216.063526	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2H"	2.014552
"204619"	287.748942666667	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+3H"	3.021828
"645516"	431.119776	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+3H"	3.021828
"1164366"	144.378109333333	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+3H"	3.021828
"426185"	878.258823	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+NH4"	18.033823
"787912"	1308.371323	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+NH4"	18.033823
"1684246"	448.146323	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+NH4"	18.033823
"331427"	439.6330495	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+H+NH4"	19.041099
"723480"	654.6892995	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+H+NH4"	19.041099
"1478033"	224.5767995	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H+NH4"	19.041099
"394163"	883.214218	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+Na"	22.989218
"754913"	1313.326718	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+Na"	22.989218
"1603624"	453.101718	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Na"	22.989218
"314874"	442.110747	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+H+Na"	23.996494
"710092"	657.166997	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+H+Na"	23.996494
"1468288"	227.054497	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H+Na"	23.996494
"1056068"	151.705423333333	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2H+Na"	25.00377
"1259933"	463.145986	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+CH3OH+H"	33.033486
"378507"	899.188158	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+K"	38.963158
"741325"	1329.300658	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+K"	38.963158
"1541919"	469.075658	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+K"	38.963158
"302739"	450.097717	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+H+K"	39.970434
"699900"	665.153967	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+H+K"	39.970434
"1450805"	235.041467	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H+K"	39.970434
"244508"	902.258826	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+ACN+H"	42.033826
"1216490"	472.146326	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+ACN+H"	42.033826
"1198914"	236.576801	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+ACN+2H"	43.041102
"192878"	905.19616	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+2Na-H"	44.97116
"632438"	1335.30866	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+2Na-H"	44.97116
"1133394"	475.08366	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2Na-H"	44.97116
"177779"	453.101718	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+2Na"	45.978436
"618071"	668.157968	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+2Na"	45.978436
"1119752"	238.045468	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2Na"	45.978436
"1406922"	159.032737333333	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H+2Na"	46.985712
"1439049"	477.125246	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H+HCOOH"	47.012746
"229840"	458.13474	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+3H2O+2H"	56.04448
"1513527"	491.17729	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+IsoProp+H"	61.06479
"411027"	461.088688	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+Na+K"	61.952376
"776397"	676.144938	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+Na+K"	61.952376
"1673822"	246.032438	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Na+K"	61.952376
"261431"	924.240768	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+ACN+Na"	64.015768
"1233045"	494.128268	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+ACN+Na"	64.015768
"1724121"	494.151793	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+NH4+HCOOH"	64.039293
"1188381"	166.360051333333	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+3Na"	68.967654
"1656089"	499.107188	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Na+HCOOH"	68.994688
"165140"	937.14404	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+2K-H"	76.91904
"606885"	1367.25654	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+2K-H"	76.91904
"1092494"	507.03154	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2K-H"	76.91904
"151499"	469.075658	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"2M+2K"	77.926316
"595312"	684.131908	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"3M+2K"	77.926316
"1078853"	254.019408	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2K"	77.926316
"1110966"	509.046092	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2K+H"	78.933592
"1345163"	509.133707	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+DMSO+H"	79.021207
"1011505"	513.172876	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2ACN+H"	83.060376
"1527442"	514.166508	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+IsoProp+Na+H"	84.054008
"990976"	257.090076	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+2ACN+2H"	84.067652
"1587668"	515.081128	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+K+HCOOH"	84.968628
"1414660"	545.112638	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+H+CF3COOH"	115.000138
"1149815"	277.603351	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+3ACN+2H"	125.094202
"1699372"	562.139185	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+NH4+CF3COOH"	132.026685
"1634776"	567.09458	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+Na+CF3COOH"	136.98208
"1577236"	583.06852	"C10915"	"Bispyribac"	"C19H18N4O8"	"430.1125"	"M+K+CF3COOH"	152.95602
"813069"	167.1059	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M"	0
"987697"	148.08751	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-H2O-H"	-19.01839
"67192"	110.396657333333	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M-3H"	-3.021828
"510034"	166.098624	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M-3H"	-3.021828
"881274"	54.6946906666667	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-3H"	-3.021828
"213"	166.098624	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M-2H"	-2.014552
"441597"	249.651574	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M-2H"	-2.014552
"817333"	82.545674	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-2H"	-2.014552
"79389"	333.204524	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M-H"	-1.007276
"519673"	500.310424	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M-H"	-1.007276
"898940"	166.098624	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-H"	-1.007276
"48206"	350.231071	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M-2H+NH4"	16.019271
"499439"	517.336971	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M-2H+NH4"	16.019271
"879885"	183.125171	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-2H+NH4"	16.019271
"44052"	355.186466	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M-2H+Na"	20.974666
"478144"	522.292366	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M-2H+Na"	20.974666
"851569"	188.080566	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-2H+Na"	20.974666
"1627663"	188.080566	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Na-2H"	20.974666
"104192"	184.086963	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M-H+Cl"	33.962126
"547032"	267.639913	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M-H+Cl"	33.962126
"936178"	100.534013	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-H+Cl"	33.962126
"278014"	369.181202	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+Cl"	34.969402
"663877"	536.287102	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+Cl"	34.969402
"1283933"	202.075302	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Cl"	34.969402
"24304"	371.160406	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M-2H+K"	36.948606
"464957"	538.266306	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M-2H+K"	36.948606
"841667"	204.054506	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-2H+K"	36.948606
"1564060"	204.054506	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+K-2H"	36.948606
"949755"	212.104094	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-H+HCOOH"	44.998194
"370159"	379.210001	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+HCOOH-H"	44.998201
"348938"	393.225651	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+Hac-H"	59.013851
"1501780"	226.119751	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Hac-H"	59.013851
"962766"	234.086051	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-H+NaCOOH"	66.980151
"116047"	202.075302	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+2Cl"	69.938804
"556701"	285.628252	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+2Cl"	69.938804
"1027688"	118.522352	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2Cl"	69.938804
"1245078"	246.024785	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Br"	78.918885
"1304610"	248.080772	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Cl+HCOOH"	80.974872
"1323203"	270.062729	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Cl+NaCOOH"	102.956829
"911788"	280.091486	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M-H+CF3COOH"	112.985586
"1298261"	316.068164	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Cl+CF3COOH"	148.962264
"1370961"	132.093224	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H-2H2O"	-35.012676
"1391737"	150.1032	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H-H2O"	-17.0027
"289232"	335.219076	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+H"	1.007276
"680559"	502.324976	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+H"	1.007276
"1355816"	168.113176	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H"	1.007276
"128710"	168.113176	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+2H"	2.014552
"567541"	251.666126	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+2H"	2.014552
"1040357"	84.560226	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2H"	2.014552
"204652"	112.411209333333	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+3H"	3.021828
"644774"	168.113176	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+3H"	3.021828
"1163753"	56.7092426666667	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+3H"	3.021828
"425205"	352.245623	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+NH4"	18.033823
"790210"	519.351523	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+NH4"	18.033823
"1683263"	185.139723	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+NH4"	18.033823
"331175"	176.6264495	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+H+NH4"	19.041099
"722811"	260.1793995	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+H+NH4"	19.041099
"1478510"	93.0734995	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H+NH4"	19.041099
"393302"	357.201018	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+Na"	22.989218
"755268"	524.306918	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+Na"	22.989218
"1603081"	190.095118	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Na"	22.989218
"314454"	179.104147	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+H+Na"	23.996494
"708013"	262.657097	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+H+Na"	23.996494
"1468398"	95.551197	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H+Na"	23.996494
"1059459"	64.0365566666667	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2H+Na"	25.00377
"1262231"	200.139386	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+CH3OH+H"	33.033486
"378619"	373.174958	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+K"	38.963158
"741071"	540.280858	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+K"	38.963158
"1541665"	206.069058	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+K"	38.963158
"302487"	187.091117	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+H+K"	39.970434
"698917"	270.644067	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+H+K"	39.970434
"1451645"	103.538167	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H+K"	39.970434
"246805"	376.245626	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+ACN+H"	42.033826
"1215143"	209.139726	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+ACN+H"	42.033826
"1200117"	105.073501	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+ACN+2H"	43.041102
"192987"	379.18296	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+2Na-H"	44.97116
"633641"	546.28886	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+2Na-H"	44.97116
"1134233"	212.07706	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2Na-H"	44.97116
"176794"	190.095118	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+2Na"	45.978436
"615994"	273.648068	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+2Na"	45.978436
"1118768"	106.542168	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2Na"	45.978436
"1408125"	71.3638706666667	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H+2Na"	46.985712
"1435879"	214.118646	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H+HCOOH"	47.012746
"224482"	195.12814	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+3H2O+2H"	56.04448
"1515824"	228.17069	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+IsoProp+H"	61.06479
"411501"	198.082088	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+Na+K"	61.952376
"773226"	281.635038	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+Na+K"	61.952376
"1672838"	114.529138	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Na+K"	61.952376
"258262"	398.227568	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+ACN+Na"	64.015768
"1233156"	231.121668	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+ACN+Na"	64.015768
"1720951"	231.145193	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+NH4+HCOOH"	64.039293
"1187395"	78.6911846666667	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+3Na"	68.967654
"1655106"	236.100588	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Na+HCOOH"	68.994688
"163062"	411.13084	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+2K-H"	76.91904
"603715"	578.23674	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+2K-H"	76.91904
"1092601"	244.02494	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2K-H"	76.91904
"150514"	206.069058	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"2M+2K"	77.926316
"591167"	289.622008	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"3M+2K"	77.926316
"1080056"	122.516108	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2K"	77.926316
"1113262"	246.039492	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2K+H"	78.933592
"1345274"	246.127107	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+DMSO+H"	79.021207
"1010520"	250.166276	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2ACN+H"	83.060376
"1528646"	251.159908	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+IsoProp+Na+H"	84.054008
"992910"	125.586776	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+2ACN+2H"	84.067652
"1591788"	252.074528	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+K+HCOOH"	84.968628
"1419635"	282.106038	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+H+CF3COOH"	115.000138
"1148832"	146.100051	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+3ACN+2H"	125.094202
"1700575"	299.132585	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+NH4+CF3COOH"	132.026685
"1635130"	304.08798	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+Na+CF3COOH"	136.98208
"1577346"	320.06192	"C10916"	"2-Dimethylamino-56-dimethylpyrimidin-4-ol;2-(Dimethylamino)-56-dimethyl-1H-pyrimidin-4-one"	"C8H13N3O"	"167.1059"	"M+K+CF3COOH"	152.95602
"814272"	244.9495	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M"	0
"987806"	225.93111	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-H2O-H"	-19.01839
"70583"	162.292390666667	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M-3H"	-3.021828
"505771"	243.942224	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M-3H"	-3.021828
"883571"	80.6425573333333	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-3H"	-3.021828
"4334"	243.942224	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M-2H"	-2.014552
"441708"	366.416974	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M-2H"	-2.014552
"819509"	121.467474	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-2H"	-2.014552
"81687"	488.891724	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M-H"	-1.007276
"520516"	733.841224	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M-H"	-1.007276
"897588"	243.942224	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-H"	-1.007276
"48433"	505.918271	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M-2H+NH4"	16.019271
"491894"	750.867771	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M-2H+NH4"	16.019271
"877352"	260.968771	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-2H+NH4"	16.019271
"43070"	510.873666	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M-2H+Na"	20.974666
"481535"	755.823166	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M-2H+Na"	20.974666
"852775"	265.924166	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-2H+Na"	20.974666
"1621214"	265.924166	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Na-2H"	20.974666
"99929"	261.930563	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M-H+Cl"	33.962126
"536208"	384.405313	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M-H+Cl"	33.962126
"937381"	139.455813	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-H+Cl"	33.962126
"271564"	524.868402	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+Cl"	34.969402
"665082"	769.817902	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+Cl"	34.969402
"1280764"	279.918902	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Cl"	34.969402
"25509"	526.847606	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M-2H+K"	36.948606
"465069"	771.797106	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M-2H+K"	36.948606
"843965"	281.898106	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-2H+K"	36.948606
"1568543"	281.898106	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+K-2H"	36.948606
"952054"	289.947694	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-H+HCOOH"	44.998194
"368081"	534.897201	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+HCOOH-H"	44.998201
"353059"	548.912851	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+Hac-H"	59.013851
"1500796"	303.963351	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Hac-H"	59.013851
"966157"	311.929651	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-H+NaCOOH"	66.980151
"118345"	279.918902	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+2Cl"	69.938804
"557905"	402.393652	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+2Cl"	69.938804
"1022329"	157.444152	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2Cl"	69.938804
"1246281"	323.868385	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Br"	78.918885
"1305815"	325.924372	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Cl+HCOOH"	80.974872
"1322949"	347.906329	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Cl+NaCOOH"	102.956829
"913277"	357.935086	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M-H+CF3COOH"	112.985586
"1297278"	393.911764	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Cl+CF3COOH"	148.962264
"1368520"	209.936824	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H-2H2O"	-35.012676
"1388567"	227.9468	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H-H2O"	-17.0027
"291529"	490.906276	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+H"	1.007276
"680670"	735.855776	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+H"	1.007276
"1359206"	245.956776	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H"	1.007276
"134288"	245.956776	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+2H"	2.014552
"568380"	368.431526	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+2H"	2.014552
"1040467"	123.482026	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2H"	2.014552
"204596"	164.306942666667	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+3H"	3.021828
"644398"	245.956776	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+3H"	3.021828
"1162888"	82.6571093333333	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+3H"	3.021828
"426045"	507.932823	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+NH4"	18.033823
"787404"	752.882323	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+NH4"	18.033823
"1681907"	262.983323	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+NH4"	18.033823
"330348"	254.4700495	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+H+NH4"	19.041099
"722861"	376.9447995	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+H+NH4"	19.041099
"1477150"	131.9952995	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H+NH4"	19.041099
"393655"	512.888218	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+Na"	22.989218
"754513"	757.837718	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+Na"	22.989218
"1602803"	267.938718	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Na"	22.989218
"314389"	256.947747	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+H+Na"	23.996494
"708124"	379.422497	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+H+Na"	23.996494
"1464135"	134.472997	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H+Na"	23.996494
"1061755"	89.9844233333333	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2H+Na"	25.00377
"1263435"	277.982986	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+CH3OH+H"	33.033486
"380916"	528.862158	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+K"	38.963158
"740817"	773.811658	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+K"	38.963158
"1542140"	283.912658	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+K"	38.963158
"299680"	264.934717	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+H+K"	39.970434
"694654"	387.409467	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+H+K"	39.970434
"1453941"	142.459967	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H+K"	39.970434
"241448"	531.932826	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+ACN+H"	42.033826
"1215251"	286.983326	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+ACN+H"	42.033826
"1198039"	143.995301	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+ACN+2H"	43.041102
"189818"	534.87016	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+2Na-H"	44.97116
"630106"	779.81966	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+2Na-H"	44.97116
"1133975"	289.92066	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2Na-H"	44.97116
"175080"	267.938718	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+2Na"	45.978436
"615371"	390.413468	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+2Na"	45.978436
"1118513"	145.463968	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2Na"	45.978436
"1401675"	97.3117373333333	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H+2Na"	46.985712
"1433801"	291.962246	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H+HCOOH"	47.012746
"224592"	272.97174	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+3H2O+2H"	56.04448
"1513747"	306.01429	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+IsoProp+H"	61.06479
"413434"	275.925688	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+Na+K"	61.952376
"775523"	398.400438	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+Na+K"	61.952376
"1675136"	153.450938	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Na+K"	61.952376
"259465"	553.914768	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+ACN+Na"	64.015768
"1232173"	308.965268	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+ACN+Na"	64.015768
"1719968"	308.988793	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+NH4+HCOOH"	64.039293
"1185319"	104.639051333333	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+3Na"	68.967654
"1655216"	313.944188	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Na+HCOOH"	68.994688
"162079"	566.81804	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+2K-H"	76.91904
"604918"	811.76754	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+2K-H"	76.91904
"1091618"	321.86854	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2K-H"	76.91904
"151716"	283.912658	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"2M+2K"	77.926316
"592370"	406.387408	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"3M+2K"	77.926316
"1081259"	161.437908	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2K"	77.926316
"1113372"	323.883092	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2K+H"	78.933592
"1347571"	323.970707	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+DMSO+H"	79.021207
"1010631"	328.009876	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2ACN+H"	83.060376
"1527663"	329.003508	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+IsoProp+Na+H"	84.054008
"993020"	164.508576	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+2ACN+2H"	84.067652
"1597365"	329.918128	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+K+HCOOH"	84.968628
"1421932"	359.949638	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+H+CF3COOH"	115.000138
"1150035"	185.021851	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+3ACN+2H"	125.094202
"1699592"	376.976185	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+NH4+CF3COOH"	132.026685
"1634754"	381.93158	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+Na+CF3COOH"	136.98208
"1577456"	397.90552	"C10917"	"7-NN-Dimethylamino-12345-pentathiocyclooctane;PTCA"	"C5H11NS5"	"244.9495"	"M+K+CF3COOH"	152.95602
"814382"	231.1259	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M"	0
"981355"	212.10751	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-H2O-H"	-19.01839
"68506"	153.076657333333	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M-3H"	-3.021828
"503448"	230.118624	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M-3H"	-3.021828
"882588"	76.0346906666667	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-3H"	-3.021828
"1164"	230.118624	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M-2H"	-2.014552
"441818"	345.681574	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M-2H"	-2.014552
"819255"	114.555674	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-2H"	-2.014552
"82890"	461.244524	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M-H"	-1.007276
"521353"	692.370424	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M-H"	-1.007276
"897334"	230.118624	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-H"	-1.007276
"48181"	478.271071	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M-2H+NH4"	16.019271
"490911"	709.396971	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M-2H+NH4"	16.019271
"877462"	247.145171	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-2H+NH4"	16.019271
"43911"	483.226466	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M-2H+Na"	20.974666
"481645"	714.352366	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M-2H+Na"	20.974666
"849969"	252.100566	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-2H+Na"	20.974666
"1620231"	252.100566	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Na-2H"	20.974666
"94285"	248.106963	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M-H+Cl"	33.962126
"535346"	363.669913	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M-H+Cl"	33.962126
"937491"	132.544013	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-H+Cl"	33.962126
"271674"	497.221202	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+Cl"	34.969402
"664099"	728.347102	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+Cl"	34.969402
"1283061"	266.095302	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Cl"	34.969402
"27806"	499.200406	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M-2H+K"	36.948606
"466272"	730.326306	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M-2H+K"	36.948606
"841888"	268.074506	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-2H+K"	36.948606
"1566467"	268.074506	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+K-2H"	36.948606
"952164"	276.124094	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-H+HCOOH"	44.998194
"368191"	507.250001	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+HCOOH-H"	44.998201
"350983"	521.265651	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+Hac-H"	59.013851
"1500906"	290.139751	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Hac-H"	59.013851
"962621"	298.106051	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-H+NaCOOH"	66.980151
"120642"	266.095302	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+2Cl"	69.938804
"558015"	381.658252	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+2Cl"	69.938804
"1026813"	150.532352	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2Cl"	69.938804
"1250765"	310.044785	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Br"	78.918885
"1307748"	312.100772	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Cl+HCOOH"	80.974872
"1323059"	334.082729	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Cl+NaCOOH"	102.956829
"913751"	344.111486	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M-H+CF3COOH"	112.985586
"1297388"	380.088164	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Cl+CF3COOH"	148.962264
"1378835"	196.113224	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H-2H2O"	-35.012676
"1394142"	214.1232	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H-H2O"	-17.0027
"288359"	463.259076	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+H"	1.007276
"682967"	694.384976	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+H"	1.007276
"1356036"	232.133176	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H"	1.007276
"134398"	232.133176	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+2H"	2.014552
"570676"	347.696126	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+2H"	2.014552
"1040577"	116.570226	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2H"	2.014552
"205069"	155.091209333333	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+3H"	3.021828
"644632"	232.133176	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+3H"	3.021828
"1163975"	78.0492426666667	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+3H"	3.021828
"428340"	480.285623	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+NH4"	18.033823
"787877"	711.411523	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+NH4"	18.033823
"1682138"	249.159723	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+NH4"	18.033823
"330666"	240.6464495	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+H+NH4"	19.041099
"723082"	356.2093995	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+H+NH4"	19.041099
"1477222"	125.0834995	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H+NH4"	19.041099
"393521"	485.241018	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+Na"	22.989218
"754468"	716.366918	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+Na"	22.989218
"1603220"	254.115118	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Na"	22.989218
"314624"	243.124147	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+H+Na"	23.996494
"708354"	358.687097	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+H+Na"	23.996494
"1467525"	127.561197	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H+Na"	23.996494
"1058587"	85.3765566666667	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2H+Na"	25.00377
"1262452"	264.159386	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+CH3OH+H"	33.033486
"379933"	501.214958	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+K"	38.963158
"739834"	732.340858	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+K"	38.963158
"1539949"	270.089058	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+K"	38.963158
"299060"	251.111117	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+H+K"	39.970434
"701324"	366.674067	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+H+K"	39.970434
"1451864"	135.548167	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H+K"	39.970434
"243746"	504.285626	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+ACN+H"	42.033826
"1217548"	273.159726	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+ACN+H"	42.033826
"1201429"	137.083501	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+ACN+2H"	43.041102
"190291"	507.22296	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+2Na-H"	44.97116
"632766"	738.34886	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+2Na-H"	44.97116
"1134086"	276.09706	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2Na-H"	44.97116
"175556"	254.115118	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+2Na"	45.978436
"619124"	369.678068	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+2Na"	45.978436
"1117894"	138.552168	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2Na"	45.978436
"1400325"	92.7038706666667	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H+2Na"	46.985712
"1436098"	278.138646	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H+HCOOH"	47.012746
"227982"	259.14814	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+3H2O+2H"	56.04448
"1516045"	292.19069	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+IsoProp+H"	61.06479
"415731"	262.102088	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+Na+K"	61.952376
"776727"	377.665038	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+Na+K"	61.952376
"1673059"	146.539138	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Na+K"	61.952376
"258481"	526.267568	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+ACN+Na"	64.015768
"1234469"	295.141668	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+ACN+Na"	64.015768
"1718983"	295.165193	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+NH4+HCOOH"	64.039293
"1184335"	100.031184666667	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+3Na"	68.967654
"1656419"	300.120588	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Na+HCOOH"	68.994688
"163282"	539.17084	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+2K-H"	76.91904
"602842"	770.29674	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+2K-H"	76.91904
"1092821"	308.04494	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2K-H"	76.91904
"154013"	270.089058	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"2M+2K"	77.926316
"590292"	385.652008	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"3M+2K"	77.926316
"1079181"	154.526108	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2K"	77.926316
"1111294"	310.059492	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2K+H"	78.933592
"1344399"	310.147107	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+DMSO+H"	79.021207
"1011105"	314.186276	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2ACN+H"	83.060376
"1528867"	315.179908	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+IsoProp+Na+H"	84.054008
"991308"	157.596776	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+2ACN+2H"	84.067652
"1599662"	316.094528	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+K+HCOOH"	84.968628
"1422042"	346.126038	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+H+CF3COOH"	115.000138
"1150145"	178.110051	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+3ACN+2H"	125.094202
"1698609"	363.152585	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+NH4+CF3COOH"	132.026685
"1636445"	368.10798	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+Na+CF3COOH"	136.98208
"1577566"	384.08192	"C10918"	"Indeloxazine"	"C14H17NO2"	"231.1259"	"M+K+CF3COOH"	152.95602
"814492"	223.1109	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M"	0
"981465"	204.09251	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-H2O-H"	-19.01839
"77365"	147.733324	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M-3H"	-3.021828
"507084"	222.103624	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M-3H"	-3.021828
"889258"	73.363024	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-3H"	-3.021828
"4555"	222.103624	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M-2H"	-2.014552
"443021"	333.659074	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M-2H"	-2.014552
"825197"	110.548174	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-2H"	-2.014552
"81908"	445.214524	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M-H"	-1.007276
"521828"	668.325424	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M-H"	-1.007276
"898293"	222.103624	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-H"	-1.007276
"51090"	462.241071	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M-2H+NH4"	16.019271
"491021"	685.351971	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M-2H+NH4"	16.019271
"877572"	239.130171	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-2H+NH4"	16.019271
"45115"	467.196466	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M-2H+Na"	20.974666
"485035"	690.307366	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M-2H+Na"	20.974666
"856276"	244.085566	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-2H+Na"	20.974666
"1626902"	244.085566	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Na-2H"	20.974666
"106710"	240.091963	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M-H+Cl"	33.962126
"537522"	351.647413	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M-H+Cl"	33.962126
"934321"	128.536513	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-H+Cl"	33.962126
"272877"	481.191202	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+Cl"	34.969402
"672962"	704.302102	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+Cl"	34.969402
"1282080"	258.080302	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Cl"	34.969402
"30469"	483.170406	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M-2H+K"	36.948606
"468570"	706.281306	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M-2H+K"	36.948606
"843091"	260.059506	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-2H+K"	36.948606
"1563301"	260.059506	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+K-2H"	36.948606
"948996"	268.109094	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-H+HCOOH"	44.998194
"368300"	491.220001	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+HCOOH-H"	44.998201
"352184"	505.235651	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+Hac-H"	59.013851
"1504297"	282.124751	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Hac-H"	59.013851
"964190"	290.091051	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-H+NaCOOH"	66.980151
"118564"	258.080302	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+2Cl"	69.938804
"559218"	369.635752	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+2Cl"	69.938804
"1029110"	146.524852	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2Cl"	69.938804
"1249781"	302.029785	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Br"	78.918885
"1309315"	304.085772	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Cl+HCOOH"	80.974872
"1324990"	326.067729	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Cl+NaCOOH"	102.956829
"916048"	336.096486	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M-H+CF3COOH"	112.985586
"1296405"	372.073164	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Cl+CF3COOH"	148.962264
"1378945"	188.098224	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H-2H2O"	-35.012676
"1392066"	206.1082	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H-H2O"	-17.0027
"288469"	447.229076	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+H"	1.007276
"681984"	670.339976	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+H"	1.007276
"1355051"	224.118176	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H"	1.007276
"126481"	224.118176	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+2H"	2.014552
"570786"	335.673626	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+2H"	2.014552
"1045061"	112.562726	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2H"	2.014552
"210775"	149.747876	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+3H"	3.021828
"647054"	224.118176	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+3H"	3.021828
"1169554"	75.377576	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+3H"	3.021828
"432826"	464.255623	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+NH4"	18.033823
"792728"	687.366523	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+NH4"	18.033823
"1683591"	241.144723	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+NH4"	18.033823
"332963"	232.6314495	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+H+NH4"	19.041099
"729757"	344.1868995	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+H+NH4"	19.041099
"1479567"	121.0759995	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H+NH4"	19.041099
"395334"	469.211018	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+Na"	22.989218
"754868"	692.321918	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+Na"	22.989218
"1603451"	246.100118	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Na"	22.989218
"316651"	235.109147	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+H+Na"	23.996494
"708708"	346.664597	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+H+Na"	23.996494
"1466542"	123.553697	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H+Na"	23.996494
"1065989"	82.70489	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2H+Na"	25.00377
"1269123"	256.144386	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+CH3OH+H"	33.033486
"385510"	485.184958	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+K"	38.963158
"743224"	708.295858	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+K"	38.963158
"1541632"	262.074058	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+K"	38.963158
"303547"	243.096117	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+H+K"	39.970434
"698154"	354.651567	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+H+K"	39.970434
"1451975"	131.540667	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H+K"	39.970434
"242763"	488.255626	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+ACN+H"	42.033826
"1212554"	265.144726	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+ACN+H"	42.033826
"1197168"	133.076001	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+ACN+2H"	43.041102
"191130"	491.19296	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+2Na-H"	44.97116
"632149"	714.30386	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+2Na-H"	44.97116
"1133469"	268.08206	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2Na-H"	44.97116
"175301"	246.100118	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+2Na"	45.978436
"616320"	357.655568	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+2Na"	45.978436
"1118003"	134.544668	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2Na"	45.978436
"1402255"	90.032204	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H+2Na"	46.985712
"1443136"	270.123646	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H+HCOOH"	47.012746
"232470"	251.13314	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+3H2O+2H"	56.04448
"1520531"	284.17569	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+IsoProp+H"	61.06479
"420947"	254.087088	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+Na+K"	61.952376
"780118"	365.642538	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+Na+K"	61.952376
"1677542"	142.531638	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Na+K"	61.952376
"259686"	510.237568	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+ACN+Na"	64.015768
"1234582"	287.126668	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+ACN+Na"	64.015768
"1719093"	287.150193	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+NH4+HCOOH"	64.039293
"1184447"	97.359518	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+3Na"	68.967654
"1656530"	292.105588	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Na+HCOOH"	68.994688
"165579"	523.14084	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+2K-H"	76.91904
"604045"	746.25174	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+2K-H"	76.91904
"1094024"	300.02994	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2K-H"	76.91904
"149747"	262.074058	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"2M+2K"	77.926316
"593683"	373.629508	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"3M+2K"	77.926316
"1079289"	150.518608	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2K"	77.926316
"1109217"	302.044492	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2K+H"	78.933592
"1342321"	302.132107	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+DMSO+H"	79.021207
"1010854"	306.171276	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2ACN+H"	83.060376
"1528979"	307.164908	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+IsoProp+Na+H"	84.054008
"995425"	153.589276	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+2ACN+2H"	84.067652
"1590294"	308.079528	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+K+HCOOH"	84.968628
"1422152"	338.111038	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+H+CF3COOH"	115.000138
"1148432"	174.102551	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+3ACN+2H"	125.094202
"1702000"	355.137585	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+NH4+CF3COOH"	132.026685
"1646399"	360.09298	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+Na+CF3COOH"	136.98208
"1577676"	376.06692	"C10919"	"Mepanipyrim"	"C14H13N3"	"223.1109"	"M+K+CF3COOH"	152.95602
"814602"	74.0368	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M"	0
"987041"	55.01841	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"69817"	48.3505906666667	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"512661"	73.029524	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"882444"	23.6716573333333	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"3570"	73.029524	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"443131"	110.047924	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"822026"	36.011124	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"82382"	147.066324	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"523764"	221.103124	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"900473"	73.029524	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"53756"	164.092871	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"492224"	238.129671	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"877561"	90.056071	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"45593"	169.048266	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"481865"	243.085066	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"855292"	95.011466	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1625918"	95.011466	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"100260"	91.017863	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"540914"	128.036263	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"937711"	53.999463	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"278454"	183.043002	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"673069"	257.079802	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1283284"	109.006202	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"29852"	185.022206	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"468681"	259.059006	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"845389"	110.985406	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1566691"	110.985406	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"950200"	119.034994	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"370601"	193.071801	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"353390"	207.087451	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1501131"	133.050651	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"968675"	141.016951	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"119769"	109.006202	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"561515"	146.024602	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1030313"	71.987802	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1246978"	152.955685	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1307604"	155.011672	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1327287"	176.993629	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"918715"	187.022386	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1296515"	222.999064	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1376869"	39.024124	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1389990"	57.0341	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"291859"	149.080876	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"683187"	223.117676	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1361721"	75.044076	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"126959"	75.044076	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"569803"	112.062476	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1045171"	38.025676	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"213073"	50.3651426666667	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"646071"	75.044076	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1169664"	25.6862093333333	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"432937"	166.107423	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"792838"	240.144223	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1683702"	92.070623	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"333438"	83.5573495	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"728773"	120.5757495	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1480772"	46.5389495	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"393985"	171.062818	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"755466"	245.099618	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1607089"	97.026018	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"317490"	86.035047	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"709549"	123.053447	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1466652"	49.016647	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1064276"	33.0135233333333	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1263767"	107.070286	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"385620"	187.036758	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"742968"	261.073558	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1543201"	112.999958	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"303656"	94.022017	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"697170"	131.040417	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1448074"	57.003617	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"247248"	190.107426	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1215581"	116.070626	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1201649"	58.538951	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"192333"	193.04476	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"632259"	267.08156	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1137588"	119.00796	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"176868"	97.026018	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"618617"	134.044418	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1120297"	60.007618	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1403092"	40.3408373333333	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1439601"	121.049546	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"231126"	102.05904	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1520641"	135.10159	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"420328"	105.012988	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"778041"	142.031388	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1676559"	67.994588	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"258703"	212.089368	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1233599"	138.052568	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1720296"	138.076093	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1186742"	47.6681513333333	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1657730"	143.031488	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"163502"	224.99264	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"603060"	299.02944	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1091949"	150.95584	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"149857"	112.999958	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"592699"	150.018358	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1079399"	75.981558	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1112608"	152.970392	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1345712"	153.058007	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1016428"	157.097176	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1534554"	158.090808	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"998813"	79.052226	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1590402"	159.005428	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1417157"	189.036938	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1147934"	99.565501	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1702110"	206.063485	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1646509"	211.01888	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1577786"	226.99282	"C10920"	"Glycidol"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"814713"	128.0837	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M"	0
"986058"	109.06531	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-H2O-H"	-19.01839
"75395"	84.3818573333333	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M-3H"	-3.021828
"516049"	127.076424	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M-3H"	-3.021828
"891664"	41.6872906666667	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-3H"	-3.021828
"9147"	127.076424	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M-2H"	-2.014552
"445427"	191.118274	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M-2H"	-2.014552
"822136"	63.034574	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-2H"	-2.014552
"81398"	255.160124	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M-H"	-1.007276
"520227"	383.243824	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M-H"	-1.007276
"902771"	127.076424	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-H"	-1.007276
"56053"	272.186671	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M-2H+NH4"	16.019271
"491241"	400.270371	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M-2H+NH4"	16.019271
"877671"	144.102971	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-2H+NH4"	16.019271
"44601"	277.142066	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M-2H+Na"	20.974666
"481975"	405.225766	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M-2H+Na"	20.974666
"855402"	149.058366	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-2H+Na"	20.974666
"1627122"	149.058366	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Na-2H"	20.974666
"98184"	145.064763	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M-H+Cl"	33.962126
"537745"	209.106613	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M-H+Cl"	33.962126
"931260"	81.022913	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-H+Cl"	33.962126
"276377"	291.136802	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+Cl"	34.969402
"672082"	419.220502	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+Cl"	34.969402
"1283394"	163.053102	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Cl"	34.969402
"29231"	293.116006	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M-2H+K"	36.948606
"469157"	421.199706	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M-2H+K"	36.948606
"842221"	165.032306	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-2H+K"	36.948606
"1563519"	165.032306	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+K-2H"	36.948606
"949217"	173.081894	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-H+HCOOH"	44.998194
"367796"	301.165601	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+HCOOH-H"	44.998201
"353137"	315.181251	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+Hac-H"	59.013851
"1499782"	187.097551	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Hac-H"	59.013851
"967691"	195.063851	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-H+NaCOOH"	66.980151
"119878"	163.053102	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+2Cl"	69.938804
"560532"	227.094952	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+2Cl"	69.938804
"1027143"	99.011252	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2Cl"	69.938804
"1247087"	207.002585	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Br"	78.918885
"1306620"	209.058572	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Cl+HCOOH"	80.974872
"1324481"	231.040529	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Cl+NaCOOH"	102.956829
"919917"	241.069286	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M-H+CF3COOH"	112.985586
"1293707"	277.045964	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Cl+CF3COOH"	148.962264
"1378071"	93.071024	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H-2H2O"	-35.012676
"1392285"	111.081	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H-H2O"	-17.0027
"291969"	257.174676	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+H"	1.007276
"685484"	385.258376	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+H"	1.007276
"1361831"	129.090976	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H"	1.007276
"130715"	129.090976	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+2H"	2.014552
"568820"	193.132826	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+2H"	2.014552
"1045282"	65.049126	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2H"	2.014552
"216463"	86.3964093333333	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+3H"	3.021828
"648369"	129.090976	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+3H"	3.021828
"1167587"	43.7018426666667	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+3H"	3.021828
"431954"	274.201223	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+NH4"	18.033823
"792947"	402.284923	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+NH4"	18.033823
"1683813"	146.117523	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+NH4"	18.033823
"335371"	137.6042495	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+H+NH4"	19.041099
"732166"	201.6460995	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+H+NH4"	19.041099
"1482339"	73.5623995	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H+NH4"	19.041099
"395917"	279.156618	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+Na"	22.989218
"755940"	407.240318	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+Na"	22.989218
"1604768"	151.072918	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Na"	22.989218
"318329"	140.081947	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+H+Na"	23.996494
"708443"	204.123797	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+H+Na"	23.996494
"1468949"	76.040097	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H+Na"	23.996494
"1063293"	51.0291566666667	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2H+Na"	25.00377
"1264970"	161.117186	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+CH3OH+H"	33.033486
"381357"	295.130558	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+K"	38.963158
"740892"	423.214258	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+K"	38.963158
"1544039"	167.046858	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+K"	38.963158
"304859"	148.068917	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+H+K"	39.970434
"696187"	212.110767	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+H+K"	39.970434
"1447453"	84.027067	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H+K"	39.970434
"240796"	298.201226	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+ACN+H"	42.033826
"1212776"	170.117526	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+ACN+H"	42.033826
"1200666"	85.562401	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+ACN+2H"	43.041102
"194630"	301.13856	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+2Na-H"	44.97116
"632006"	429.22226	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+2Na-H"	44.97116
"1134053"	173.05486	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2Na-H"	44.97116
"175520"	151.072918	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+2Na"	45.978436
"616175"	215.114768	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+2Na"	45.978436
"1117493"	87.031068	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2Na"	45.978436
"1402108"	58.3564706666667	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H+2Na"	46.985712
"1438617"	175.096446	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H+HCOOH"	47.012746
"230503"	156.10594	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+3H2O+2H"	56.04448
"1520751"	189.14849	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+IsoProp+H"	61.06479
"417157"	159.059888	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+Na+K"	61.952376
"781429"	223.101738	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+Na+K"	61.952376
"1675572"	95.018038	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Na+K"	61.952376
"259906"	320.183168	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+ACN+Na"	64.015768
"1232615"	192.099468	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+ACN+Na"	64.015768
"1720408"	192.122993	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+NH4+HCOOH"	64.039293
"1186852"	65.6837846666667	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+3Na"	68.967654
"1656750"	197.078388	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Na+HCOOH"	68.994688
"161425"	333.08644	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+2K-H"	76.91904
"604263"	461.17014	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+2K-H"	76.91904
"1092059"	205.00274	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2K-H"	76.91904
"149968"	167.046858	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"2M+2K"	77.926316
"590622"	231.088708	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"3M+2K"	77.926316
"1077322"	103.005008	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2K"	77.926316
"1110531"	207.017292	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2K+H"	78.933592
"1343634"	207.104907	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+DMSO+H"	79.021207
"1016538"	211.144076	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2ACN+H"	83.060376
"1532479"	212.137708	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+IsoProp+Na+H"	84.054008
"997830"	106.075676	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+2ACN+2H"	84.067652
"1591242"	213.052328	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+K+HCOOH"	84.968628
"1419091"	243.083838	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+H+CF3COOH"	115.000138
"1148287"	126.588951	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+3ACN+2H"	125.094202
"1697474"	260.110385	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+NH4+CF3COOH"	132.026685
"1643339"	265.06578	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+Na+CF3COOH"	136.98208
"1577896"	281.03972	"C10921"	"Butyl acrylate"	"C7H12O2"	"128.0837"	"M+K+CF3COOH"	152.95602
"815674"	187.9636	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M"	0
"987261"	168.94521	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-H2O-H"	-19.01839
"71131"	124.301790666667	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M-3H"	-3.021828
"516889"	186.956324	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M-3H"	-3.021828
"891774"	61.6472573333333	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-3H"	-3.021828
"11444"	186.956324	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M-2H"	-2.014552
"448818"	280.938124	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M-2H"	-2.014552
"824432"	92.974524	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-2H"	-2.014552
"83331"	374.919924	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M-H"	-1.007276
"519244"	562.883524	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M-H"	-1.007276
"899601"	186.956324	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-H"	-1.007276
"55070"	391.946471	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M-2H+NH4"	16.019271
"491351"	579.910071	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M-2H+NH4"	16.019271
"874622"	203.982871	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-2H+NH4"	16.019271
"35963"	396.901866	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M-2H+Na"	20.974666
"475887"	584.865466	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M-2H+Na"	20.974666
"863167"	208.938266	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-2H+Na"	20.974666
"1623952"	208.938266	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Na-2H"	20.974666
"103762"	204.944663	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M-H+Cl"	33.962126
"547696"	298.926463	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M-H+Cl"	33.962126
"934650"	110.962863	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-H+Cl"	33.962126
"278675"	410.896602	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+Cl"	34.969402
"675270"	598.860202	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+Cl"	34.969402
"1285690"	222.933002	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Cl"	34.969402
"27155"	412.875806	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M-2H+K"	36.948606
"465624"	600.839406	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M-2H+K"	36.948606
"843424"	224.912206	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-2H+K"	36.948606
"1564723"	224.912206	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+K-2H"	36.948606
"952607"	232.961794	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-H+HCOOH"	44.998194
"369731"	420.925401	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+HCOOH-H"	44.998201
"351061"	434.941051	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+Hac-H"	59.013851
"1496612"	246.977451	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Hac-H"	59.013851
"968895"	254.943751	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-H+NaCOOH"	66.980151
"123270"	222.933002	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+2Cl"	69.938804
"557362"	316.914802	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+2Cl"	69.938804
"1031628"	128.951202	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2Cl"	69.938804
"1246104"	266.882485	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Br"	78.918885
"1306730"	268.938472	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Cl+HCOOH"	80.974872
"1323499"	290.920429	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Cl+NaCOOH"	102.956829
"920027"	300.949186	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M-H+CF3COOH"	112.985586
"1294548"	336.925864	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Cl+CF3COOH"	148.962264
"1379272"	152.950924	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H-2H2O"	-35.012676
"1387653"	170.9609	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H-H2O"	-17.0027
"289891"	376.934476	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+H"	1.007276
"684501"	564.898076	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+H"	1.007276
"1356475"	188.970876	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H"	1.007276
"128637"	188.970876	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+2H"	2.014552
"570023"	282.952676	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+2H"	2.014552
"1038456"	94.989076	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2H"	2.014552
"211104"	126.316342666667	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+3H"	3.021828
"648479"	188.970876	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+3H"	3.021828
"1170977"	63.6618093333333	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+3H"	3.021828
"433156"	393.961023	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+NH4"	18.033823
"791965"	581.924623	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+NH4"	18.033823
"1685014"	205.997423	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+NH4"	18.033823
"335482"	197.4841495	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+H+NH4"	19.041099
"728996"	291.4659495	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+H+NH4"	19.041099
"1481721"	103.5023495	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H+NH4"	19.041099
"396392"	398.916418	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+Na"	22.989218
"759212"	586.880018	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+Na"	22.989218
"1609496"	210.952818	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Na"	22.989218
"317348"	199.961847	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+H+Na"	23.996494
"708310"	293.943647	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+H+Na"	23.996494
"1469059"	105.980047	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H+Na"	23.996494
"1060121"	70.9891233333333	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2H+Na"	25.00377
"1262893"	220.997086	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+CH3OH+H"	33.033486
"383653"	414.890358	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+K"	38.963158
"739546"	602.853958	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+K"	38.963158
"1543056"	226.926758	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+K"	38.963158
"302783"	207.948817	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+H+K"	39.970434
"693014"	301.930617	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+H+K"	39.970434
"1447199"	113.967017	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H+K"	39.970434
"240907"	417.961026	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+ACN+H"	42.033826
"1211790"	229.997426	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+ACN+H"	42.033826
"1199684"	115.502351	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+ACN+2H"	43.041102
"192918"	420.89836	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+2Na-H"	44.97116
"637583"	608.86196	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+2Na-H"	44.97116
"1135622"	232.93476	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2Na-H"	44.97116
"175994"	210.952818	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+2Na"	45.978436
"616647"	304.934618	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+2Na"	45.978436
"1118696"	116.971018	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2Na"	45.978436
"1400034"	78.3164373333333	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H+2Na"	46.985712
"1440913"	234.976346	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H+HCOOH"	47.012746
"231706"	215.98584	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+3H2O+2H"	56.04448
"1519768"	249.02839	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+IsoProp+H"	61.06479
"421641"	218.939788	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+Na+K"	61.952376
"782633"	312.921588	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+Na+K"	61.952376
"1678964"	124.957988	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Na+K"	61.952376
"261109"	439.942968	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+ACN+Na"	64.015768
"1236006"	251.979368	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+ACN+Na"	64.015768
"1723800"	252.002893	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+NH4+HCOOH"	64.039293
"1186964"	85.6437513333333	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+3Na"	68.967654
"1659046"	256.958288	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Na+HCOOH"	68.994688
"162628"	452.84624	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+2K-H"	76.91904
"605465"	640.80984	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+2K-H"	76.91904
"1092169"	264.88264	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2K-H"	76.91904
"150079"	226.926758	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"2M+2K"	77.926316
"589640"	320.908558	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"3M+2K"	77.926316
"1078526"	132.944958	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2K"	77.926316
"1108454"	266.897192	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2K+H"	78.933592
"1345931"	266.984807	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+DMSO+H"	79.021207
"1014461"	271.023976	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2ACN+H"	83.060376
"1530403"	272.017608	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+IsoProp+Na+H"	84.054008
"997940"	136.015626	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+2ACN+2H"	84.067652
"1592445"	272.932228	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+K+HCOOH"	84.968628
"1417015"	302.963738	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+H+CF3COOH"	115.000138
"1148399"	156.528901	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+3ACN+2H"	125.094202
"1697219"	319.990285	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+NH4+CF3COOH"	132.026685
"1643449"	324.94568	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+Na+CF3COOH"	136.98208
"1578006"	340.91962	"C10922"	"23-Dimercaptopropane-1-sulfonic acid;DMPS"	"C3H8O3S3"	"187.9636"	"M+K+CF3COOH"	152.95602
"813840"	211.0633	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M"	0
"986278"	192.04491	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-H2O-H"	-19.01839
"74521"	139.701590666667	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M-3H"	-3.021828
"515176"	210.056024	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M-3H"	-3.021828
"891884"	69.3471573333333	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-3H"	-3.021828
"12283"	210.056024	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M-2H"	-2.014552
"451116"	315.587674	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M-2H"	-2.014552
"824543"	104.524374	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-2H"	-2.014552
"84535"	421.119324	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M-H"	-1.007276
"520813"	632.182624	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M-H"	-1.007276
"902991"	210.056024	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-H"	-1.007276
"56273"	438.145871	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M-2H+NH4"	16.019271
"493649"	649.209171	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M-2H+NH4"	16.019271
"877527"	227.082571	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-2H+NH4"	16.019271
"36073"	443.101266	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M-2H+Na"	20.974666
"474904"	654.164566	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M-2H+Na"	20.974666
"859997"	232.037966	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-2H+Na"	20.974666
"1627343"	232.037966	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Na-2H"	20.974666
"103876"	228.044363	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M-H+Cl"	33.962126
"545620"	333.576013	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M-H+Cl"	33.962126
"940959"	122.512713	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-H+Cl"	33.962126
"277692"	457.096002	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+Cl"	34.969402
"670114"	668.159302	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+Cl"	34.969402
"1282519"	246.032702	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Cl"	34.969402
"26172"	459.075206	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M-2H+K"	36.948606
"467921"	670.138506	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M-2H+K"	36.948606
"841347"	248.011906	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-2H+K"	36.948606
"1565929"	248.011906	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+K-2H"	36.948606
"953810"	256.061494	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-H+HCOOH"	44.998194
"369842"	467.124801	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+HCOOH-H"	44.998201
"351171"	481.140451	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+Hac-H"	59.013851
"1501462"	270.077151	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Hac-H"	59.013851
"967912"	278.043451	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-H+NaCOOH"	66.980151
"121193"	246.032702	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+2Cl"	69.938804
"557472"	351.564352	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+2Cl"	69.938804
"1029551"	140.501052	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2Cl"	69.938804
"1244027"	289.982185	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Br"	78.918885
"1305747"	292.038172	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Cl+HCOOH"	80.974872
"1324337"	314.020129	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Cl+NaCOOH"	102.956829
"916125"	324.048886	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M-H+CF3COOH"	112.985586
"1293565"	360.025564	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Cl+CF3COOH"	148.962264
"1373915"	176.050624	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H-2H2O"	-35.012676
"1385941"	194.0606	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H-H2O"	-17.0027
"287085"	423.133876	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+H"	1.007276
"679144"	634.197176	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+H"	1.007276
"1355492"	212.070576	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H"	1.007276
"126925"	212.070576	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+2H"	2.014552
"570133"	317.602226	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+2H"	2.014552
"1039297"	106.538926	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2H"	2.014552
"216683"	141.716142666667	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+3H"	3.021828
"651870"	212.070576	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+3H"	3.021828
"1167809"	71.3617093333333	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+3H"	3.021828
"429987"	440.160423	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+NH4"	18.033823
"792077"	651.223723	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+NH4"	18.033823
"1687314"	229.097123	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+NH4"	18.033823
"335592"	220.5838495	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+H+NH4"	19.041099
"731294"	326.1154995	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+H+NH4"	19.041099
"1481832"	115.0521995	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H+NH4"	19.041099
"399419"	445.115818	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+Na"	22.989218
"761509"	656.179118	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+Na"	22.989218
"1609606"	234.052518	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Na"	22.989218
"319643"	223.061547	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+H+Na"	23.996494
"712066"	328.593197	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+H+Na"	23.996494
"1464794"	117.529897	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H+Na"	23.996494
"1057315"	78.6890233333333	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2H+Na"	25.00377
"1266283"	244.096786	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+CH3OH+H"	33.033486
"379389"	461.089758	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+K"	38.963158
"744030"	672.153058	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+K"	38.963158
"1541343"	250.026458	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+K"	38.963158
"301071"	231.048517	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+H+K"	39.970434
"693489"	336.580167	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+H+K"	39.970434
"1447673"	125.516867	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H+K"	39.970434
"241017"	464.160426	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+ACN+H"	42.033826
"1213358"	253.097126	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+ACN+H"	42.033826
"1199795"	127.052201	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+ACN+2H"	43.041102
"195944"	467.09776	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+2Na-H"	44.97116
"632223"	678.16106	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+2Na-H"	44.97116
"1135001"	256.03446	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2Na-H"	44.97116
"174646"	234.052518	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+2Na"	45.978436
"614570"	339.584168	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+2Na"	45.978436
"1117347"	128.520868	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2Na"	45.978436
"1399778"	86.0163373333333	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H+2Na"	46.985712
"1439930"	258.076046	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H+HCOOH"	47.012746
"228532"	239.08554	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+3H2O+2H"	56.04448
"1515500"	272.12809	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+IsoProp+H"	61.06479
"417374"	242.039488	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+Na+K"	61.952376
"776182"	347.571138	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+Na+K"	61.952376
"1669596"	136.507838	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Na+K"	61.952376
"257939"	486.142368	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+ACN+Na"	64.015768
"1230646"	275.079068	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+ACN+Na"	64.015768
"1719534"	275.102593	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+NH4+HCOOH"	64.039293
"1184887"	93.3436513333333	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+3Na"	68.967654
"1656969"	280.057988	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Na+HCOOH"	68.994688
"161645"	499.04564	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+2K-H"	76.91904
"605579"	710.10894	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+2K-H"	76.91904
"1092279"	287.98234	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2K-H"	76.91904
"148000"	250.026458	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"2M+2K"	77.926316
"593030"	355.558108	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"3M+2K"	77.926316
"1077542"	144.494808	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2K"	77.926316
"1109658"	289.996892	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2K+H"	78.933592
"1343854"	290.084507	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+DMSO+H"	79.021207
"1014572"	294.123676	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2ACN+H"	83.060376
"1535979"	295.117308	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+IsoProp+Na+H"	84.054008
"999145"	147.565476	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+2ACN+2H"	84.067652
"1592555"	296.031928	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+K+HCOOH"	84.968628
"1418217"	326.063438	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+H+CF3COOH"	115.000138
"1147536"	168.078751	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+3ACN+2H"	125.094202
"1697448"	343.089985	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+NH4+CF3COOH"	132.026685
"1643559"	348.04538	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+Na+CF3COOH"	136.98208
"1581396"	364.01932	"C10923"	"2-Nitrofluorene;NF"	"C13H9NO2"	"211.0633"	"M+K+CF3COOH"	152.95602
"814678"	227.0582	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M"	0
"984201"	208.03981	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-H2O-H"	-19.01839
"72443"	150.364857333333	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M-3H"	-3.021828
"516016"	226.050924	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M-3H"	-3.021828
"888714"	74.6787906666667	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-3H"	-3.021828
"12760"	226.050924	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M-2H"	-2.014552
"451226"	339.580024	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M-2H"	-2.014552
"827933"	112.521824	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-2H"	-2.014552
"86832"	453.109124	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M-H"	-1.007276
"523110"	680.167324	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M-H"	-1.007276
"908568"	226.050924	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-H"	-1.007276
"55288"	470.135671	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M-2H+NH4"	16.019271
"494853"	697.193871	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M-2H+NH4"	16.019271
"875814"	243.077471	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-2H+NH4"	16.019271
"36183"	475.091066	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M-2H+Na"	20.974666
"473557"	702.149266	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M-2H+Na"	20.974666
"856827"	248.032866	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-2H+Na"	20.974666
"1627453"	248.032866	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Na-2H"	20.974666
"106172"	244.039263	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M-H+Cl"	33.962126
"544637"	357.568363	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M-H+Cl"	33.962126
"937059"	130.510163	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-H+Cl"	33.962126
"276709"	489.085802	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+Cl"	34.969402
"670224"	716.144002	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+Cl"	34.969402
"1283722"	262.027602	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Cl"	34.969402
"26282"	491.065006	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M-2H+K"	36.948606
"464750"	718.123206	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M-2H+K"	36.948606
"843643"	264.006806	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-2H+K"	36.948606
"1566037"	264.006806	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+K-2H"	36.948606
"951735"	272.056394	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-H+HCOOH"	44.998194
"371041"	499.114601	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+HCOOH-H"	44.998201
"352011"	513.130251	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+Hac-H"	59.013851
"1499387"	286.072051	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Hac-H"	59.013851
"968023"	294.038351	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-H+NaCOOH"	66.980151
"121303"	262.027602	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+2Cl"	69.938804
"561592"	375.556702	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+2Cl"	69.938804
"1029661"	148.498502	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2Cl"	69.938804
"1245230"	305.977085	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Br"	78.918885
"1311691"	308.033072	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Cl+HCOOH"	80.974872
"1324447"	330.015029	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Cl+NaCOOH"	102.956829
"915507"	340.043786	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M-H+CF3COOH"	112.985586
"1293675"	376.020464	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Cl+CF3COOH"	148.962264
"1372931"	192.045524	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H-2H2O"	-35.012676
"1388239"	210.0555	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H-H2O"	-17.0027
"286831"	455.123676	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+H"	1.007276
"677427"	682.181876	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+H"	1.007276
"1352805"	228.065476	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H"	1.007276
"126790"	228.065476	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+2H"	2.014552
"566961"	341.594576	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+2H"	2.014552
"1041229"	114.536376	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2H"	2.014552
"215698"	152.379409333333	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+3H"	3.021828
"656353"	228.065476	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+3H"	3.021828
"1173386"	76.6933426666667	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+3H"	3.021828
"435564"	472.150223	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+NH4"	18.033823
"798382"	699.208423	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+NH4"	18.033823
"1689607"	245.092023	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+NH4"	18.033823
"336792"	236.5787495	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+H+NH4"	19.041099
"731402"	350.1078495	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+H+NH4"	19.041099
"1481942"	123.0496495	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H+NH4"	19.041099
"396249"	477.105618	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+Na"	22.989218
"760526"	704.163818	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+Na"	22.989218
"1608623"	250.047418	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Na"	22.989218
"315497"	239.056447	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+H+Na"	23.996494
"711084"	352.585547	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+H+Na"	23.996494
"1473651"	125.527347	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H+Na"	23.996494
"1057426"	84.0206566666667	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2H+Na"	25.00377
"1266394"	260.091686	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+CH3OH+H"	33.033486
"380593"	493.079558	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+K"	38.963158
"739520"	720.137758	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+K"	38.963158
"1541812"	266.021358	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+K"	38.963158
"300085"	247.043417	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+H+K"	39.970434
"692506"	360.572517	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+H+K"	39.970434
"1447782"	133.514317	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H+K"	39.970434
"238939"	496.150226	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+ACN+H"	42.033826
"1213833"	269.092026	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+ACN+H"	42.033826
"1199904"	135.049651	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+ACN+2H"	43.041102
"192771"	499.08756	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+2Na-H"	44.97116
"630511"	726.14576	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+2Na-H"	44.97116
"1132560"	272.02936	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2Na-H"	44.97116
"176213"	250.047418	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+2Na"	45.978436
"616502"	363.576518	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+2Na"	45.978436
"1117335"	136.518318	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2Na"	45.978436
"1400618"	91.3479706666667	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H+2Na"	46.985712
"1435664"	274.070946	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H+HCOOH"	47.012746
"228641"	255.08044	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+3H2O+2H"	56.04448
"1513422"	288.12299	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+IsoProp+H"	61.06479
"416389"	258.034388	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+Na+K"	61.952376
"771184"	371.563488	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+Na+K"	61.952376
"1666788"	144.505288	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Na+K"	61.952376
"254401"	518.132168	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+ACN+Na"	64.015768
"1230392"	291.073968	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+ACN+Na"	64.015768
"1715996"	291.097493	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+NH4+HCOOH"	64.039293
"1181349"	98.6752846666667	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+3Na"	68.967654
"1653434"	296.052888	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Na+HCOOH"	68.994688
"160294"	531.03544	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+2K-H"	76.91904
"602409"	758.09364	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+2K-H"	76.91904
"1090202"	303.97724	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2K-H"	76.91904
"145924"	266.021358	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"2M+2K"	77.926316
"593140"	379.550458	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"3M+2K"	77.926316
"1075466"	152.492258	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2K"	77.926316
"1110862"	305.991792	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2K+H"	78.933592
"1341778"	306.079407	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+DMSO+H"	79.021207
"1014683"	310.118576	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2ACN+H"	83.060376
"1534995"	311.112208	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+IsoProp+Na+H"	84.054008
"1001442"	155.562926	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+2ACN+2H"	84.067652
"1591572"	312.026828	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+K+HCOOH"	84.968628
"1416868"	342.058338	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+H+CF3COOH"	115.000138
"1148253"	176.076201	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+3ACN+2H"	125.094202
"1698531"	359.084885	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+NH4+CF3COOH"	132.026685
"1640389"	364.04028	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+Na+CF3COOH"	136.98208
"1581506"	380.01422	"C10924"	"9-Hydroxy-2-nitrofluorene;9-OHNF"	"C13H9NO3"	"227.0582"	"M+K+CF3COOH"	152.95602
"815884"	269.1183	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M"	0
"987957"	250.09991	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-H2O-H"	-19.01839
"75469"	178.404924	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M-3H"	-3.021828
"517950"	268.111024	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M-3H"	-3.021828
"892104"	88.698824	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-3H"	-3.021828
"10678"	268.111024	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M-2H"	-2.014552
"455344"	402.670174	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M-2H"	-2.014552
"831322"	133.551874	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-2H"	-2.014552
"90222"	537.229324	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M-H"	-1.007276
"526500"	806.347624	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M-H"	-1.007276
"906490"	268.111024	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-H"	-1.007276
"53210"	554.255871	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M-2H+NH4"	16.019271
"500429"	823.374171	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M-2H+NH4"	16.019271
"876775"	285.137571	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-2H+NH4"	16.019271
"36293"	559.211266	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M-2H+Na"	20.974666
"475854"	828.329566	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M-2H+Na"	20.974666
"860217"	290.092966	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-2H+Na"	20.974666
"1627563"	290.092966	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Na-2H"	20.974666
"108104"	286.099363	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M-H+Cl"	33.962126
"547662"	420.658513	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M-H+Cl"	33.962126
"940448"	151.540213	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-H+Cl"	33.962126
"280828"	573.206002	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+Cl"	34.969402
"670334"	842.324302	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+Cl"	34.969402
"1283832"	304.087702	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Cl"	34.969402
"28576"	575.185206	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M-2H+K"	36.948606
"468140"	844.303506	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M-2H+K"	36.948606
"844849"	306.066906	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-2H+K"	36.948606
"1567241"	306.066906	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+K-2H"	36.948606
"956583"	314.116494	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-H+HCOOH"	44.998194
"371151"	583.234801	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+HCOOH-H"	44.998201
"356133"	597.250451	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+Hac-H"	59.013851
"1499499"	328.132151	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Hac-H"	59.013851
"967040"	336.098451	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-H+NaCOOH"	66.980151
"119228"	304.087702	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+2Cl"	69.938804
"559880"	438.646852	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+2Cl"	69.938804
"1030865"	169.528552	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2Cl"	69.938804
"1246068"	348.037185	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Br"	78.918885
"1309615"	350.093172	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Cl+HCOOH"	80.974872
"1327109"	372.075129	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Cl+NaCOOH"	102.956829
"915617"	382.103886	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M-H+CF3COOH"	112.985586
"1293785"	418.080564	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Cl+CF3COOH"	148.962264
"1373406"	234.105624	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H-2H2O"	-35.012676
"1388350"	252.1156	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H-H2O"	-17.0027
"285119"	539.243876	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+H"	1.007276
"680455"	808.362176	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+H"	1.007276
"1353156"	270.125576	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H"	1.007276
"126774"	270.125576	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+2H"	2.014552
"566828"	404.684726	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+2H"	2.014552
"1041339"	135.566426	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2H"	2.014552
"214715"	180.419476	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+3H"	3.021828
"654275"	270.125576	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+3H"	3.021828
"1178114"	90.713376	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+3H"	3.021828
"439563"	556.270423	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+NH4"	18.033823
"801046"	825.388723	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+NH4"	18.033823
"1690813"	287.152123	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+NH4"	18.033823
"339092"	278.6388495	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+H+NH4"	19.041099
"733700"	413.1979995	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+H+NH4"	19.041099
"1488612"	144.0796995	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H+NH4"	19.041099
"399641"	561.225818	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+Na"	22.989218
"761730"	830.344118	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+Na"	22.989218
"1610920"	292.107518	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Na"	22.989218
"320958"	281.116547	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+H+Na"	23.996494
"716662"	415.675697	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+H+Na"	23.996494
"1470481"	146.557397	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H+Na"	23.996494
"1062640"	98.04069	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2H+Na"	25.00377
"1266504"	302.151786	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+CH3OH+H"	33.033486
"385079"	577.199758	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+K"	38.963158
"747167"	846.318058	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+K"	38.963158
"1548125"	308.081458	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+K"	38.963158
"307488"	289.103517	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+H+K"	39.970434
"702098"	423.662667	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+H+K"	39.970434
"1449354"	154.544367	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H+K"	39.970434
"242330"	580.270426	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+ACN+H"	42.033826
"1212851"	311.152126	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+ACN+H"	42.033826
"1201108"	156.079701	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+ACN+2H"	43.041102
"195073"	583.20776	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+2Na-H"	44.97116
"631715"	852.32606	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+2Na-H"	44.97116
"1133034"	314.08946	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2Na-H"	44.97116
"174504"	292.107518	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+2Na"	45.978436
"615642"	426.666668	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+2Na"	45.978436
"1118663"	157.548368	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2Na"	45.978436
"1401094"	105.368004	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H+2Na"	46.985712
"1439054"	316.131046	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H+HCOOH"	47.012746
"229481"	297.14054	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+3H2O+2H"	56.04448
"1516812"	330.18309	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+IsoProp+H"	61.06479
"416864"	300.094488	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+Na+K"	61.952376
"771173"	434.653638	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+Na+K"	61.952376
"1667991"	165.535338	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Na+K"	61.952376
"254512"	602.252368	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+ACN+Na"	64.015768
"1229773"	333.134068	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+ACN+Na"	64.015768
"1713920"	333.157593	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+NH4+HCOOH"	64.039293
"1182190"	112.695318	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+3Na"	68.967654
"1652447"	338.112988	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Na+HCOOH"	68.994688
"160772"	615.15564	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+2K-H"	76.91904
"603612"	884.27394	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+2K-H"	76.91904
"1091406"	346.03734	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2K-H"	76.91904
"149314"	308.081458	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"2M+2K"	77.926316
"592157"	442.640608	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"3M+2K"	77.926316
"1081043"	173.522308	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2K"	77.926316
"1109878"	348.051892	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2K+H"	78.933592
"1340795"	348.139507	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+DMSO+H"	79.021207
"1012606"	352.178676	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2ACN+H"	83.060376
"1535104"	353.172308	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+IsoProp+Na+H"	84.054008
"998274"	176.592976	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+2ACN+2H"	84.067652
"1592775"	354.086928	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+K+HCOOH"	84.968628
"1417343"	384.118438	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+H+CF3COOH"	115.000138
"1149822"	197.106251	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+3ACN+2H"	125.094202
"1697670"	401.144985	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+NH4+CF3COOH"	132.026685
"1643779"	406.10038	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+Na+CF3COOH"	136.98208
"1578336"	422.07432	"C10925"	"Acetochlor"	"C14H20ClNO2"	"269.1183"	"M+K+CF3COOH"	152.95602
"815262"	252.1586	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M"	0
"987702"	233.14021	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-H2O-H"	-19.01839
"71570"	167.098457333333	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M-3H"	-3.021828
"516599"	251.151324	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M-3H"	-3.021828
"887840"	83.0455906666667	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-3H"	-3.021828
"12981"	251.151324	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M-2H"	-2.014552
"452904"	377.230624	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M-2H"	-2.014552
"828153"	125.072024	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-2H"	-2.014552
"87052"	503.309924	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M-H"	-1.007276
"524424"	755.468524	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M-H"	-1.007276
"906602"	251.151324	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-H"	-1.007276
"58789"	520.336471	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M-2H+NH4"	16.019271
"498352"	772.495071	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M-2H+NH4"	16.019271
"877248"	268.177871	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-2H+NH4"	16.019271
"35310"	525.291866	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M-2H+Na"	20.974666
"475964"	777.450466	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M-2H+Na"	20.974666
"853767"	273.133266	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-2H+Na"	20.974666
"1627673"	273.133266	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Na-2H"	20.974666
"105298"	269.139663	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M-H+Cl"	33.962126
"545950"	395.218963	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M-H+Cl"	33.962126
"939467"	143.060363	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-H+Cl"	33.962126
"281306"	539.286602	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+Cl"	34.969402
"671537"	791.445202	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+Cl"	34.969402
"1283942"	287.128002	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Cl"	34.969402
"28686"	541.265806	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M-2H+K"	36.948606
"466061"	793.424406	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M-2H+K"	36.948606
"847510"	289.107206	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-2H+K"	36.948606
"1568444"	289.107206	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+K-2H"	36.948606
"955964"	297.156794	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-H+HCOOH"	44.998194
"372358"	549.315401	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+HCOOH-H"	44.998201
"355149"	563.331051	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+Hac-H"	59.013851
"1501796"	311.172451	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Hac-H"	59.013851
"966421"	319.138751	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-H+NaCOOH"	66.980151
"118608"	287.128002	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+2Cl"	69.938804
"557438"	413.207302	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+2Cl"	69.938804
"1030975"	161.048702	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2Cl"	69.938804
"1247637"	331.077485	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Br"	78.918885
"1310819"	333.133472	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Cl+HCOOH"	80.974872
"1328313"	355.115429	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Cl+NaCOOH"	102.956829
"915363"	365.144186	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M-H+CF3COOH"	112.985586
"1292436"	401.120864	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Cl+CF3COOH"	148.962264
"1373516"	217.145924	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H-2H2O"	-35.012676
"1386637"	235.1559	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H-H2O"	-17.0027
"284864"	505.324476	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+H"	1.007276
"679472"	757.483076	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+H"	1.007276
"1353269"	253.165876	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H"	1.007276
"126518"	253.165876	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+2H"	2.014552
"566207"	379.245176	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+2H"	2.014552
"1037433"	127.086576	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2H"	2.014552
"204607"	169.113009333333	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+3H"	3.021828
"654384"	253.165876	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+3H"	3.021828
"1173606"	85.0601426666667	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+3H"	3.021828
"435782"	522.351023	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+NH4"	18.033823
"797872"	774.509623	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+NH4"	18.033823
"1690921"	270.192423	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+NH4"	18.033823
"340295"	261.6791495	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+H+NH4"	19.041099
"735999"	387.7584495	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+H+NH4"	19.041099
"1489817"	135.5998495	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H+NH4"	19.041099
"403031"	527.306418	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+Na"	22.989218
"764027"	779.465018	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+Na"	22.989218
"1611031"	275.147818	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Na"	22.989218
"323257"	264.156847	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+H+Na"	23.996494
"720052"	390.236147	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+H+Na"	23.996494
"1473509"	138.077547	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H+Na"	23.996494
"1062750"	92.3874566666667	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2H+Na"	25.00377
"1268802"	285.192086	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+CH3OH+H"	33.033486
"383000"	543.280358	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+K"	38.963158
"745088"	795.438958	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+K"	38.963158
"1543859"	291.121758	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+K"	38.963158
"303223"	272.143817	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+H+K"	39.970434
"702209"	398.223117	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+H+K"	39.970434
"1449464"	146.064517	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H+K"	39.970434
"241349"	546.351026	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+ACN+H"	42.033826
"1214056"	294.192426	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+ACN+H"	42.033826
"1201218"	147.599851	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+ACN+2H"	43.041102
"194090"	549.28836	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+2Na-H"	44.97116
"630491"	801.44696	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+2Na-H"	44.97116
"1133143"	297.12976	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2Na-H"	44.97116
"174127"	275.147818	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+2Na"	45.978436
"613808"	401.227118	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+2Na"	45.978436
"1119139"	149.068518	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2Na"	45.978436
"1400349"	99.7147706666667	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H+2Na"	46.985712
"1438071"	299.171346	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H+HCOOH"	47.012746
"227768"	280.18084	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+3H2O+2H"	56.04448
"1516923"	313.22339	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+IsoProp+H"	61.06479
"416609"	283.134788	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+Na+K"	61.952376
"772500"	409.214088	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+Na+K"	61.952376
"1666881"	157.055488	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Na+K"	61.952376
"252307"	568.332968	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+ACN+Na"	64.015768
"1226110"	316.174368	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+ACN+Na"	64.015768
"1714148"	316.197893	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+NH4+HCOOH"	64.039293
"1180109"	107.042084666667	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+3Na"	68.967654
"1652192"	321.153288	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Na+HCOOH"	68.994688
"160151"	581.23624	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+2K-H"	76.91904
"599347"	833.39484	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+2K-H"	76.91904
"1090422"	329.07764	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2K-H"	76.91904
"146146"	291.121758	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"2M+2K"	77.926316
"592267"	417.201058	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"3M+2K"	77.926316
"1075685"	165.042458	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2K"	77.926316
"1111083"	331.092192	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2K+H"	78.933592
"1343092"	331.179807	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+DMSO+H"	79.021207
"1012718"	335.218976	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2ACN+H"	83.060376
"1534121"	336.212608	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+IsoProp+Na+H"	84.054008
"1000568"	168.113126	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+2ACN+2H"	84.067652
"1596166"	337.127228	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+K+HCOOH"	84.968628
"1418547"	367.158738	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+H+CF3COOH"	115.000138
"1150293"	188.626401	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+3ACN+2H"	125.094202
"1699116"	384.185285	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+NH4+CF3COOH"	132.026685
"1643889"	389.14068	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+Na+CF3COOH"	136.98208
"1578446"	405.11462	"C10926"	"Hexazinone"	"C12H20N4O2"	"252.1586"	"M+K+CF3COOH"	152.95602
"812092"	253.1361	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M"	0
"984531"	234.11771	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-H2O-H"	-19.01839
"71680"	167.750124	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M-3H"	-3.021828
"514523"	252.128824	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M-3H"	-3.021828
"886857"	83.371424	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-3H"	-3.021828
"12725"	252.128824	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M-2H"	-2.014552
"450462"	378.696874	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M-2H"	-2.014552
"827171"	125.560774	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-2H"	-2.014552
"84976"	505.264924	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M-H"	-1.007276
"532189"	758.401024	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M-H"	-1.007276
"903430"	252.128824	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-H"	-1.007276
"57807"	522.291471	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M-2H+NH4"	16.019271
"495182"	775.427571	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M-2H+NH4"	16.019271
"870798"	269.155371	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-2H+NH4"	16.019271
"35420"	527.246866	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M-2H+Na"	20.974666
"476074"	780.382966	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M-2H+Na"	20.974666
"853877"	274.110766	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-2H+Na"	20.974666
"1627783"	274.110766	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Na-2H"	20.974666
"106501"	270.117163	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M-H+Cl"	33.962126
"546060"	396.685213	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M-H+Cl"	33.962126
"935201"	143.549113	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-H+Cl"	33.962126
"278138"	541.241602	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+Cl"	34.969402
"671647"	794.377702	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+Cl"	34.969402
"1282959"	288.105502	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Cl"	34.969402
"27704"	543.220806	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M-2H+K"	36.948606
"466171"	796.356906	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M-2H+K"	36.948606
"846161"	290.084706	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-2H+K"	36.948606
"1568554"	290.084706	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+K-2H"	36.948606
"955343"	298.134294	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-H+HCOOH"	44.998194
"372467"	551.270401	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+HCOOH-H"	44.998201
"358542"	565.286051	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+Hac-H"	59.013851
"1502999"	312.149951	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Hac-H"	59.013851
"967260"	320.116251	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-H+NaCOOH"	66.980151
"119446"	288.105502	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+2Cl"	69.938804
"559007"	414.673552	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+2Cl"	69.938804
"1028898"	161.537452	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2Cl"	69.938804
"1247383"	332.054985	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Br"	78.918885
"1309835"	334.110972	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Cl+HCOOH"	80.974872
"1326600"	356.092929	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Cl+NaCOOH"	102.956829
"916931"	366.121686	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M-H+CF3COOH"	112.985586
"1292182"	402.098364	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Cl+CF3COOH"	148.962264
"1378729"	218.123424	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H-2H2O"	-35.012676
"1387476"	236.1334	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H-H2O"	-17.0027
"284975"	507.279476	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+H"	1.007276
"679582"	760.415576	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+H"	1.007276
"1354838"	254.143376	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H"	1.007276
"126995"	254.143376	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+2H"	2.014552
"566350"	380.711426	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+2H"	2.014552
"1038268"	127.575326	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2H"	2.014552
"204836"	169.764676	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+3H"	3.021828
"652308"	254.143376	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+3H"	3.021828
"1173716"	85.385976	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+3H"	3.021828
"434800"	524.306023	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+NH4"	18.033823
"796889"	777.442123	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+NH4"	18.033823
"1693218"	271.169923	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+NH4"	18.033823
"340406"	262.6566495	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+H+NH4"	19.041099
"732827"	389.2246995	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+H+NH4"	19.041099
"1488834"	136.0885995	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H+NH4"	19.041099
"404237"	529.261418	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+Na"	22.989218
"765231"	782.397518	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+Na"	22.989218
"1614424"	276.125318	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Na"	22.989218
"325552"	265.134347	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+H+Na"	23.996494
"719434"	391.702397	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+H+Na"	23.996494
"1473253"	138.566297	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H+Na"	23.996494
"1056664"	92.71329	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2H+Na"	25.00377
"1261623"	286.169586	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+CH3OH+H"	33.033486
"382018"	545.235358	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+K"	38.963158
"741917"	798.371458	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+K"	38.963158
"1543604"	292.099258	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+K"	38.963158
"302241"	273.121317	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+H+K"	39.970434
"696848"	399.689367	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+H+K"	39.970434
"1448845"	146.553267	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H+K"	39.970434
"240362"	548.306026	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+ACN+H"	42.033826
"1213073"	295.169926	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+ACN+H"	42.033826
"1200235"	148.088601	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+ACN+2H"	43.041102
"191648"	551.24336	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+2Na-H"	44.97116
"633762"	804.37946	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+2Na-H"	44.97116
"1139455"	298.10726	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2Na-H"	44.97116
"174721"	276.125318	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+2Na"	45.978436
"616838"	402.693368	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+2Na"	45.978436
"1120343"	149.557268	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2Na"	45.978436
"1400588"	100.040604	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H+2Na"	46.985712
"1434535"	300.148846	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H+HCOOH"	47.012746
"227878"	281.15834	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+3H2O+2H"	56.04448
"1515939"	314.20089	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+IsoProp+H"	61.06479
"413803"	284.112288	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+Na+K"	61.952376
"772610"	410.680338	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+Na+K"	61.952376
"1666384"	157.544238	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Na+K"	61.952376
"253633"	570.287968	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+ACN+Na"	64.015768
"1226463"	317.151868	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+ACN+Na"	64.015768
"1714137"	317.175393	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+NH4+HCOOH"	64.039293
"1180949"	107.367918	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+3Na"	68.967654
"1652666"	322.130788	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Na+HCOOH"	68.994688
"159897"	583.19124	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+2K-H"	76.91904
"599822"	836.32734	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+2K-H"	76.91904
"1090532"	330.05514	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2K-H"	76.91904
"149536"	292.099258	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"2M+2K"	77.926316
"593470"	418.667308	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"3M+2K"	77.926316
"1076890"	165.531208	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2K"	77.926316
"1111193"	332.069692	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2K+H"	78.933592
"1344297"	332.157307	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+DMSO+H"	79.021207
"1016109"	336.196476	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2ACN+H"	83.060376
"1535326"	337.190108	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+IsoProp+Na+H"	84.054008
"998493"	168.601876	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+2ACN+2H"	84.067652
"1595183"	338.104728	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+K+HCOOH"	84.968628
"1419751"	368.136238	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+H+CF3COOH"	115.000138
"1152226"	189.115151	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+3ACN+2H"	125.094202
"1697321"	385.162785	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+NH4+CF3COOH"	132.026685
"1643999"	390.11818	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+Na+CF3COOH"	136.98208
"1578556"	406.09212	"C10927"	"Cybutryne;Irgarol 1051"	"C11H19N5S"	"253.1361"	"M+K+CF3COOH"	152.95602
"815482"	269.1183	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M"	0
"984641"	250.09991	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-H2O-H"	-19.01839
"70696"	178.404924	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M-3H"	-3.021828
"513538"	268.111024	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M-3H"	-3.021828
"886966"	88.698824	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-3H"	-3.021828
"12836"	268.111024	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M-2H"	-2.014552
"452397"	402.670174	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M-2H"	-2.014552
"828375"	133.551874	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-2H"	-2.014552
"87273"	537.229324	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M-H"	-1.007276
"530114"	806.347624	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M-H"	-1.007276
"903540"	268.111024	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-H"	-1.007276
"57921"	554.255871	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M-2H+NH4"	16.019271
"493105"	823.374171	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M-2H+NH4"	16.019271
"867628"	285.137571	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-2H+NH4"	16.019271
"35530"	559.211266	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M-2H+Na"	20.974666
"472173"	828.329566	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M-2H+Na"	20.974666
"853987"	290.092966	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-2H+Na"	20.974666
"1627893"	290.092966	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Na-2H"	20.974666
"105518"	286.099363	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M-H+Cl"	33.962126
"546170"	420.658513	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M-H+Cl"	33.962126
"937498"	151.540213	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-H+Cl"	33.962126
"278248"	573.206002	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+Cl"	34.969402
"669569"	842.324302	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+Cl"	34.969402
"1283070"	304.087702	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Cl"	34.969402
"26354"	575.185206	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M-2H+K"	36.948606
"468469"	844.303506	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M-2H+K"	36.948606
"845174"	306.066906	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-2H+K"	36.948606
"1569028"	306.066906	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+K-2H"	36.948606
"955451"	314.116494	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-H+HCOOH"	44.998194
"371480"	583.234801	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+HCOOH-H"	44.998201
"355363"	597.250451	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+Hac-H"	59.013851
"1506750"	328.132151	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Hac-H"	59.013851
"970644"	336.098451	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-H+NaCOOH"	66.980151
"125263"	304.087702	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+2Cl"	69.938804
"559116"	438.646852	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+2Cl"	69.938804
"1026820"	169.528552	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2Cl"	69.938804
"1244577"	348.037185	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Br"	78.918885
"1312132"	350.093172	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Cl+HCOOH"	80.974872
"1326710"	372.075129	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Cl+NaCOOH"	102.956829
"917407"	382.103886	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M-H+CF3COOH"	112.985586
"1293021"	418.080564	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Cl+CF3COOH"	148.962264
"1376653"	234.105624	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H-2H2O"	-35.012676
"1387586"	252.1156	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H-H2O"	-17.0027
"287271"	539.243876	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+H"	1.007276
"680785"	808.362176	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+H"	1.007276
"1356041"	270.125576	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H"	1.007276
"127833"	270.125576	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+2H"	2.014552
"566664"	404.684726	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+2H"	2.014552
"1038261"	135.566426	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2H"	2.014552
"204702"	180.419476	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+3H"	3.021828
"653511"	270.125576	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+3H"	3.021828
"1172732"	90.713376	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+3H"	3.021828
"432723"	556.270423	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+NH4"	18.033823
"794812"	825.388723	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+NH4"	18.033823
"1696130"	287.152123	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+NH4"	18.033823
"341246"	278.6388495	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+H+NH4"	19.041099
"735854"	413.1979995	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+H+NH4"	19.041099
"1488945"	144.0796995	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H+NH4"	19.041099
"405440"	561.225818	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+Na"	22.989218
"766433"	830.344118	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+Na"	22.989218
"1614170"	292.107518	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Na"	22.989218
"325296"	281.116547	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+H+Na"	23.996494
"716626"	415.675697	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+H+Na"	23.996494
"1470811"	146.557397	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H+Na"	23.996494
"1056773"	98.04069	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2H+Na"	25.00377
"1262461"	302.151786	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+CH3OH+H"	33.033486
"383221"	577.199758	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+K"	38.963158
"743120"	846.318058	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+K"	38.963158
"1545174"	308.081458	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+K"	38.963158
"306725"	289.103517	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+H+K"	39.970434
"696957"	423.662667	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+H+K"	39.970434
"1451871"	154.544367	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H+K"	39.970434
"241567"	580.270426	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+ACN+H"	42.033826
"1213183"	311.152126	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+ACN+H"	42.033826
"1199253"	156.079701	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+ACN+2H"	43.041102
"194311"	583.20776	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+2Na-H"	44.97116
"633872"	852.32606	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+2Na-H"	44.97116
"1142845"	314.08946	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2Na-H"	44.97116
"178482"	292.107518	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+2Na"	45.978436
"621321"	426.666668	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+2Na"	45.978436
"1122639"	157.548368	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2Na"	45.978436
"1401789"	105.368004	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H+2Na"	46.985712
"1434281"	316.131046	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H+HCOOH"	47.012746
"227988"	297.14054	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+3H2O+2H"	56.04448
"1516049"	330.18309	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+IsoProp+H"	61.06479
"413549"	300.094488	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+Na+K"	61.952376
"773813"	434.653638	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+Na+K"	61.952376
"1666250"	165.535338	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Na+K"	61.952376
"251920"	602.252368	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+ACN+Na"	64.015768
"1227183"	333.134068	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+ACN+Na"	64.015768
"1714248"	333.157593	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+NH4+HCOOH"	64.039293
"1182519"	112.695318	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+3Na"	68.967654
"1653143"	338.112988	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Na+HCOOH"	68.994688
"162195"	615.15564	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+2K-H"	76.91904
"600662"	884.27394	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+2K-H"	76.91904
"1092829"	346.03734	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2K-H"	76.91904
"152926"	308.081458	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"2M+2K"	77.926316
"596256"	442.640608	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"3M+2K"	77.926316
"1082467"	173.522308	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2K"	77.926316
"1114585"	348.051892	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2K+H"	78.933592
"1347687"	348.139507	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+DMSO+H"	79.021207
"1014032"	352.178676	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2ACN+H"	83.060376
"1533250"	353.172308	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+IsoProp+Na+H"	84.054008
"1001884"	176.592976	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+2ACN+2H"	84.067652
"1600761"	354.086928	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+K+HCOOH"	84.968628
"1426421"	384.118438	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+H+CF3COOH"	115.000138
"1153429"	197.106251	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+3ACN+2H"	125.094202
"1699700"	401.144985	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+NH4+CF3COOH"	132.026685
"1641922"	406.10038	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+Na+CF3COOH"	136.98208
"1578666"	422.07432	"C10928"	"Alachlor"	"C14H20ClNO2"	"269.1183"	"M+K+CF3COOH"	152.95602
"815592"	325.1678	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M"	0
"985844"	306.14941	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-H2O-H"	-19.01839
"71899"	215.771257333333	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M-3H"	-3.021828
"514742"	324.160524	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M-3H"	-3.021828
"888169"	107.381990666667	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-3H"	-3.021828
"14769"	324.160524	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M-2H"	-2.014552
"453965"	486.744424	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M-2H"	-2.014552
"829943"	161.576624	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-2H"	-2.014552
"90299"	649.328324	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M-H"	-1.007276
"530225"	974.496124	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M-H"	-1.007276
"903650"	324.160524	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-H"	-1.007276
"59125"	666.354871	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M-2H+NH4"	16.019271
"493215"	991.522671	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M-2H+NH4"	16.019271
"867738"	341.187071	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-2H+NH4"	16.019271
"38919"	671.310266	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M-2H+Na"	20.974666
"478480"	996.478066	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M-2H+Na"	20.974666
"849354"	346.142466	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-2H+Na"	20.974666
"1618806"	346.142466	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Na-2H"	20.974666
"102345"	342.148863	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M-H+Cl"	33.962126
"538623"	504.732763	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M-H+Cl"	33.962126
"937608"	179.564963	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-H+Cl"	33.962126
"278356"	685.305002	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+Cl"	34.969402
"667492"	1010.472802	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+Cl"	34.969402
"1283907"	360.137202	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Cl"	34.969402
"22454"	687.284206	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M-2H+K"	36.948606
"467486"	1012.452006	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M-2H+K"	36.948606
"844920"	362.116406	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-2H+K"	36.948606
"1568045"	362.116406	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+K-2H"	36.948606
"954468"	370.165994	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-H+HCOOH"	44.998194
"373777"	695.333801	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+HCOOH-H"	44.998201
"356566"	709.349451	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+Hac-H"	59.013851
"1507588"	384.181651	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Hac-H"	59.013851
"970754"	392.147951	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-H+NaCOOH"	66.980151
"122942"	360.137202	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+2Cl"	69.938804
"560315"	522.721102	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+2Cl"	69.938804
"1024013"	197.553302	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2Cl"	69.938804
"1243592"	404.086685	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Br"	78.918885
"1310054"	406.142672	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Cl+HCOOH"	80.974872
"1324633"	428.124629	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Cl+NaCOOH"	102.956829
"916786"	438.153386	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M-H+CF3COOH"	112.985586
"1292402"	474.130064	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Cl+CF3COOH"	148.962264
"1375668"	290.155124	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H-2H2O"	-35.012676
"1390247"	308.1651	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H-H2O"	-17.0027
"285193"	651.342876	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+H"	1.007276
"678343"	976.510676	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+H"	1.007276
"1354692"	326.175076	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H"	1.007276
"125825"	326.175076	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+2H"	2.014552
"565711"	488.758976	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+2H"	2.014552
"1037272"	163.591176	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2H"	2.014552
"204347"	217.785809333333	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+3H"	3.021828
"652526"	326.175076	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+3H"	3.021828
"1172842"	109.396542666667	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+3H"	3.021828
"435018"	668.369423	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+NH4"	18.033823
"796015"	993.537223	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+NH4"	18.033823
"1695627"	343.201623	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+NH4"	18.033823
"342813"	334.6883495	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+H+NH4"	19.041099
"736693"	497.2722495	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+H+NH4"	19.041099
"1491241"	172.1044495	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H+NH4"	19.041099
"407006"	673.324818	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+Na"	22.989218
"766543"	998.492618	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+Na"	22.989218
"1616466"	348.157018	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Na"	22.989218
"327835"	337.166047	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+H+Na"	23.996494
"716006"	499.749947	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+H+Na"	23.996494
"1472013"	174.582147	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H+Na"	23.996494
"1058706"	116.723856666667	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2H+Na"	25.00377
"1263664"	358.201286	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+CH3OH+H"	33.033486
"383330"	689.298758	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+K"	38.963158
"746511"	1014.466558	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+K"	38.963158
"1546377"	364.130958	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+K"	38.963158
"306833"	345.153017	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+H+K"	39.970434
"700347"	507.736917	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+H+K"	39.970434
"1453076"	182.569117	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H+K"	39.970434
"243863"	692.369426	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+ACN+H"	42.033826
"1213293"	367.201626	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+ACN+H"	42.033826
"1201549"	184.104451	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+ACN+2H"	43.041102
"194420"	695.30676	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+2Na-H"	44.97116
"631066"	1020.47456	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+2Na-H"	44.97116
"1139675"	370.13896	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2Na-H"	44.97116
"181872"	348.157018	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+2Na"	45.978436
"619244"	510.740918	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+2Na"	45.978436
"1123843"	185.573118	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2Na"	45.978436
"1401900"	124.051170666667	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H+2Na"	46.985712
"1435120"	372.180546	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H+HCOOH"	47.012746
"230285"	353.19004	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+3H2O+2H"	56.04448
"1516159"	386.23259	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+IsoProp+H"	61.06479
"413659"	356.143988	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+Na+K"	61.952376
"774652"	518.727888	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+Na+K"	61.952376
"1666606"	193.560088	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Na+K"	61.952376
"251667"	714.351368	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+ACN+Na"	64.015768
"1230209"	389.183568	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+ACN+Na"	64.015768
"1715087"	389.207093	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+NH4+HCOOH"	64.039293
"1184451"	131.378484666667	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+3Na"	68.967654
"1656533"	394.162488	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Na+HCOOH"	68.994688
"166677"	727.25464	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+2K-H"	76.91904
"607330"	1052.42244	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+2K-H"	76.91904
"1096217"	402.08684	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2K-H"	76.91904
"153035"	364.130958	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"2M+2K"	77.926316
"593691"	526.714858	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"3M+2K"	77.926316
"1081484"	201.547058	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2K"	77.926316
"1115264"	404.101392	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2K+H"	78.933592
"1347797"	404.189007	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+DMSO+H"	79.021207
"1016329"	408.228176	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2ACN+H"	83.060376
"1535547"	409.221808	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+IsoProp+Na+H"	84.054008
"1005440"	204.617726	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+2ACN+2H"	84.067652
"1600871"	410.136428	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+K+HCOOH"	84.968628
"1427625"	440.167938	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+H+CF3COOH"	115.000138
"1153540"	225.131001	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+3ACN+2H"	125.094202
"1698717"	457.194485	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+NH4+CF3COOH"	132.026685
"1647499"	462.14988	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+Na+CF3COOH"	136.98208
"1578776"	478.12382	"C10929"	"Benalaxyl"	"C20H23NO3"	"325.1678"	"M+K+CF3COOH"	152.95602
"808045"	202.0855	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M"	0
"982671"	183.06711	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-H2O-H"	-19.01839
"68727"	133.716390666667	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M-3H"	-3.021828
"510475"	201.078224	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M-3H"	-3.021828
"889371"	66.3545573333333	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-3H"	-3.021828
"11229"	201.078224	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M-2H"	-2.014552
"451883"	302.120974	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M-2H"	-2.014552
"828590"	100.035474	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-2H"	-2.014552
"92836"	403.163724	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M-H"	-1.007276
"532883"	605.249224	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M-H"	-1.007276
"903758"	201.078224	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-H"	-1.007276
"52664"	420.190271	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M-2H+NH4"	16.019271
"496602"	622.275771	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M-2H+NH4"	16.019271
"876592"	218.104771	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-2H+NH4"	16.019271
"44861"	425.145666	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M-2H+Na"	20.974666
"484783"	627.231166	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M-2H+Na"	20.974666
"857480"	223.060166	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-2H+Na"	20.974666
"1628107"	223.060166	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Na-2H"	20.974666
"101356"	219.066563	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M-H+Cl"	33.962126
"542011"	320.109313	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M-H+Cl"	33.962126
"928965"	118.023813	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-H+Cl"	33.962126
"270073"	439.140402	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+Cl"	34.969402
"662135"	641.225902	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+Cl"	34.969402
"1276722"	237.054902	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Cl"	34.969402
"21465"	441.119606	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M-2H+K"	36.948606
"457867"	643.205106	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M-2H+K"	36.948606
"835183"	239.034106	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-2H+K"	36.948606
"1558307"	239.034106	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+K-2H"	36.948606
"948014"	247.083694	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-H+HCOOH"	44.998194
"366593"	449.169201	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+HCOOH-H"	44.998201
"350112"	463.184851	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+Hac-H"	59.013851
"1497850"	261.099351	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Hac-H"	59.013851
"965392"	269.065651	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-H+NaCOOH"	66.980151
"115393"	237.054902	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+2Cl"	69.938804
"557143"	338.097652	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+2Cl"	69.938804
"1026310"	136.012152	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2Cl"	69.938804
"1245523"	281.004385	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Br"	78.918885
"1311255"	283.060372	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Cl+HCOOH"	80.974872
"1324010"	305.042329	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Cl+NaCOOH"	102.956829
"916896"	315.071086	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M-H+CF3COOH"	112.985586
"1292512"	351.047764	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Cl+CF3COOH"	148.962264
"1370306"	167.072824	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H-2H2O"	-35.012676
"1384520"	185.0828	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H-H2O"	-17.0027
"283597"	405.178276	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+H"	1.007276
"677354"	607.263776	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+H"	1.007276
"1352123"	203.092776	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H"	1.007276
"126466"	203.092776	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+2H"	2.014552
"566878"	304.135526	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+2H"	2.014552
"1039074"	102.050026	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2H"	2.014552
"205162"	135.730942666667	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+3H"	3.021828
"647165"	203.092776	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+3H"	3.021828
"1166384"	68.3691093333333	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+3H"	3.021828
"427467"	422.204823	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+NH4"	18.033823
"789559"	624.290323	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+NH4"	18.033823
"1686986"	220.119323	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+NH4"	18.033823
"338546"	211.6060495	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+H+NH4"	19.041099
"732062"	312.6487995	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+H+NH4"	19.041099
"1490257"	110.5632995	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H+NH4"	19.041099
"404563"	427.160218	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+Na"	22.989218
"767745"	629.245718	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+Na"	22.989218
"1616938"	225.074718	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Na"	22.989218
"325880"	214.083747	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+H+Na"	23.996494
"721586"	315.126497	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+H+Na"	23.996494
"1475404"	113.040997	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H+Na"	23.996494
"1059909"	75.6964233333333	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2H+Na"	25.00377
"1264867"	235.118986	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+CH3OH+H"	33.033486
"388906"	443.134158	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+K"	38.963158
"752087"	645.219658	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+K"	38.963158
"1553049"	241.048658	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+K"	38.963158
"312409"	222.070717	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+H+K"	39.970434
"707069"	323.113467	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+H+K"	39.970434
"1456466"	121.027967	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H+K"	39.970434
"246160"	446.204826	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+ACN+H"	42.033826
"1218869"	244.119326	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+ACN+H"	42.033826
"1200564"	122.563301	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+ACN+2H"	43.041102
"201091"	449.14216	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+2Na-H"	44.97116
"635183"	651.22766	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+2Na-H"	44.97116
"1137595"	247.05666	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2Na-H"	44.97116
"177605"	225.074718	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+2Na"	45.978436
"617166"	326.117468	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+2Na"	45.978436
"1120667"	124.031968	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2Na"	45.978436
"1400912"	83.0237373333333	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H+2Na"	46.985712
"1431945"	249.098246	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H+HCOOH"	47.012746
"223832"	230.10774	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+3H2O+2H"	56.04448
"1512986"	263.15029	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+IsoProp+H"	61.06479
"414860"	233.061688	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+Na+K"	61.952376
"771481"	334.104438	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+Na+K"	61.952376
"1669998"	132.018938	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Na+K"	61.952376
"254329"	468.186768	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+ACN+Na"	64.015768
"1227401"	266.101268	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+ACN+Na"	64.015768
"1720299"	266.124793	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+NH4+HCOOH"	64.039293
"1183466"	90.3510513333333	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+3Na"	68.967654
"1652268"	271.080188	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Na+HCOOH"	68.994688
"163504"	481.09004	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+2K-H"	76.91904
"608532"	683.17554	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+2K-H"	76.91904
"1090858"	279.00454	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2K-H"	76.91904
"147677"	241.048658	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"2M+2K"	77.926316
"591610"	342.091408	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"3M+2K"	77.926316
"1081589"	140.005908	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2K"	77.926316
"1110427"	281.019092	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2K+H"	78.933592
"1341345"	281.106707	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+DMSO+H"	79.021207
"1012060"	285.145876	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2ACN+H"	83.060376
"1538452"	286.139508	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+IsoProp+Na+H"	84.054008
"997727"	143.076576	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+2ACN+2H"	84.067652
"1597700"	287.054128	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+K+HCOOH"	84.968628
"1428828"	317.085638	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+H+CF3COOH"	115.000138
"1158023"	163.589851	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+3ACN+2H"	125.094202
"1698096"	334.112185	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+NH4+CF3COOH"	132.026685
"1644329"	339.06758	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+Na+CF3COOH"	136.98208
"1578886"	355.04152	"C10930"	"Metamitron;Goltix"	"C10H10N4O"	"202.0855"	"M+K+CF3COOH"	152.95602
"802446"	311.1652	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M"	0
"976586"	292.14681	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-H2O-H"	-19.01839
"65922"	206.436190666667	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M-3H"	-3.021828
"508402"	310.157924	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M-3H"	-3.021828
"888389"	102.714457333333	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-3H"	-3.021828
"8059"	310.157924	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H"	-2.014552
"449807"	465.740524	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H"	-2.014552
"827608"	154.575324	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-2H"	-2.014552
"89786"	621.323124	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M-H"	-1.007276
"529347"	932.488324	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M-H"	-1.007276
"900589"	310.157924	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-H"	-1.007276
"58245"	638.349671	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H+NH4"	16.019271
"495621"	949.514871	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H+NH4"	16.019271
"875609"	327.184471	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-2H+NH4"	16.019271
"43511"	643.305066	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H+Na"	20.974666
"483072"	954.470266	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H+Na"	20.974666
"859779"	332.139866	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-2H+Na"	20.974666
"1622754"	332.139866	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Na-2H"	20.974666
"97458"	328.146263	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M-H+Cl"	33.962126
"536289"	483.728863	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M-H+Cl"	33.962126
"928710"	172.563663	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-H+Cl"	33.962126
"270914"	657.299802	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+Cl"	34.969402
"664431"	968.465002	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+Cl"	34.969402
"1274523"	346.134602	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl"	34.969402
"17688"	659.279006	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H+K"	36.948606
"458583"	970.444206	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H+K"	36.948606
"834930"	348.113806	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-2H+K"	36.948606
"1558415"	348.113806	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+K-2H"	36.948606
"943049"	356.163394	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-H+HCOOH"	44.998194
"362080"	667.328601	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+HCOOH-H"	44.998201
"349127"	681.344251	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+Hac-H"	59.013851
"1495772"	370.179051	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Hac-H"	59.013851
"965872"	378.145351	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-H+NaCOOH"	66.980151
"114047"	346.134602	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+2Cl"	69.938804
"560538"	501.717202	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+2Cl"	69.938804
"1029340"	190.552002	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2Cl"	69.938804
"1251105"	390.084085	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Br"	78.918885
"1309179"	392.140072	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl+HCOOH"	80.974872
"1328864"	414.122029	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl+NaCOOH"	102.956829
"918101"	424.150786	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M-H+CF3COOH"	112.985586
"1293715"	460.127464	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl+CF3COOH"	148.962264
"1371148"	276.152524	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H-2H2O"	-35.012676
"1384265"	294.1625	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H-H2O"	-17.0027
"284315"	623.337676	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+H"	1.007276
"675839"	934.502876	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+H"	1.007276
"1352238"	312.172476	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H"	1.007276
"126214"	312.172476	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+2H"	2.014552
"565899"	467.755076	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+2H"	2.014552
"1047471"	156.589876	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2H"	2.014552
"210998"	208.450742666667	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+3H"	3.021828
"648371"	312.172476	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+3H"	3.021828
"1166494"	104.729009333333	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+3H"	3.021828
"431958"	640.364223	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+NH4"	18.033823
"799762"	951.529423	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+NH4"	18.033823
"1690383"	329.199023	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+NH4"	18.033823
"340847"	320.6857495	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+H+NH4"	19.041099
"733269"	476.2683495	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+H+NH4"	19.041099
"1485994"	165.1031495	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H+NH4"	19.041099
"398115"	645.319618	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+Na"	22.989218
"758016"	956.484818	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+Na"	22.989218
"1611579"	334.154418	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Na"	22.989218
"319433"	323.163447	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+H+Na"	23.996494
"717326"	478.746047	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+H+Na"	23.996494
"1466772"	167.580847	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H+Na"	23.996494
"1060018"	112.056323333333	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2H+Na"	25.00377
"1263884"	344.198686	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+CH3OH+H"	33.033486
"385737"	661.293558	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+K"	38.963158
"747825"	972.458758	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+K"	38.963158
"1550972"	350.128358	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+K"	38.963158
"311428"	331.150417	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+H+K"	39.970434
"701660"	486.733017	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+H+K"	39.970434
"1454388"	175.567817	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H+K"	39.970434
"241897"	664.364226	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+ACN+H"	42.033826
"1218978"	353.199026	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+ACN+H"	42.033826
"1202861"	177.103151	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+ACN+2H"	43.041102
"195733"	667.30156	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+2Na-H"	44.97116
"632741"	978.46676	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+2Na-H"	44.97116
"1135518"	356.13636	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2Na-H"	44.97116
"174065"	334.154418	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+2Na"	45.978436
"616182"	489.737018	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+2Na"	45.978436
"1118601"	178.571818	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2Na"	45.978436
"1402493"	119.383637333333	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H+2Na"	46.985712
"1439717"	358.177946	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H+HCOOH"	47.012746
"230505"	339.18744	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+3H2O+2H"	56.04448
"1512370"	372.22999	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+IsoProp+H"	61.06479
"412057"	342.141388	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+Na+K"	61.952376
"771956"	497.723988	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+Na+K"	61.952376
"1670113"	186.558788	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Na+K"	61.952376
"258819"	686.346168	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+ACN+Na"	64.015768
"1230435"	375.180968	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+ACN+Na"	64.015768
"1714946"	375.204493	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+NH4+HCOOH"	64.039293
"1186864"	126.710951333333	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+3Na"	68.967654
"1660038"	380.159888	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Na+HCOOH"	68.994688
"162525"	699.24944	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+2K-H"	76.91904
"603179"	1010.41464	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+2K-H"	76.91904
"1089876"	388.08424	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2K-H"	76.91904
"153256"	350.128358	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"2M+2K"	77.926316
"591722"	505.710958	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"3M+2K"	77.926316
"1079514"	194.545758	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2K"	77.926316
"1110537"	390.098792	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2K+H"	78.933592
"1343641"	390.186407	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+DMSO+H"	79.021207
"1013266"	394.225576	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2ACN+H"	83.060376
"1531392"	395.219208	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+IsoProp+Na+H"	84.054008
"1001121"	197.616426	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+2ACN+2H"	84.067652
"1595624"	396.133828	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+K+HCOOH"	84.968628
"1418002"	426.165338	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+H+CF3COOH"	115.000138
"1149020"	218.129701	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+3ACN+2H"	125.094202
"1697599"	443.191885	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+NH4+CF3COOH"	132.026685
"1644439"	448.14728	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+Na+CF3COOH"	136.98208
"1578996"	464.12122	"C10931"	"Butachlor"	"C17H26ClNO2"	"311.1652"	"M+K+CF3COOH"	152.95602
"802799"	333.0454	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M"	0
"982896"	314.02701	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-H2O-H"	-19.01839
"78067"	221.022990666667	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M-3H"	-3.021828
"511794"	332.038124	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M-3H"	-3.021828
"891781"	110.007857333333	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-3H"	-3.021828
"7077"	332.038124	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M-2H"	-2.014552
"448822"	498.560824	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M-2H"	-2.014552
"828810"	165.515424	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-2H"	-2.014552
"93178"	665.083524	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M-H"	-1.007276
"528364"	998.128924	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M-H"	-1.007276
"907259"	332.038124	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-H"	-1.007276
"59448"	682.110071	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M-2H+NH4"	16.019271
"499011"	1015.155471	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M-2H+NH4"	16.019271
"869162"	349.064671	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-2H+NH4"	16.019271
"39246"	687.065466	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M-2H+Na"	20.974666
"485368"	1020.110866	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M-2H+Na"	20.974666
"862806"	354.020066	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-2H+Na"	20.974666
"1619217"	354.020066	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Na-2H"	20.974666
"98297"	350.026463	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M-H+Cl"	33.962126
"535670"	516.549163	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M-H+Cl"	33.962126
"928454"	183.503763	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-H+Cl"	33.962126
"267747"	701.060202	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+Cl"	34.969402
"660891"	1034.105602	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+Cl"	34.969402
"1275121"	368.014802	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Cl"	34.969402
"17555"	703.039406	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M-2H+K"	36.948606
"456508"	1036.084806	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M-2H+K"	36.948606
"834675"	369.994006	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-2H+K"	36.948606
"1558164"	369.994006	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+K-2H"	36.948606
"943248"	378.043594	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-H+HCOOH"	44.998194
"361515"	711.089001	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+HCOOH-H"	44.998201
"346683"	725.104651	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+Hac-H"	59.013851
"1494425"	392.059251	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Hac-H"	59.013851
"966712"	400.025551	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-H+NaCOOH"	66.980151
"115254"	368.014802	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+2Cl"	69.938804
"561378"	534.537502	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+2Cl"	69.938804
"1034923"	201.492102	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2Cl"	69.938804
"1250125"	411.964285	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Br"	78.918885
"1316584"	414.020272	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Cl+HCOOH"	80.974872
"1327881"	436.002229	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Cl+NaCOOH"	102.956829
"921127"	446.030986	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M-H+CF3COOH"	112.985586
"1293825"	482.007664	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Cl+CF3COOH"	148.962264
"1373081"	298.032724	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H-2H2O"	-35.012676
"1389121"	316.0427	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H-H2O"	-17.0027
"284428"	667.098076	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+H"	1.007276
"676358"	1000.143476	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+H"	1.007276
"1360861"	334.052676	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H"	1.007276
"127914"	334.052676	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+2H"	2.014552
"567356"	500.575376	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+2H"	2.014552
"1046488"	167.529976	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2H"	2.014552
"219781"	223.037542666667	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+3H"	3.021828
"653951"	334.052676	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+3H"	3.021828
"1174264"	112.022409333333	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+3H"	3.021828
"430973"	684.124623	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+NH4"	18.033823
"799264"	1017.170023	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+NH4"	18.033823
"1696330"	351.079223	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+NH4"	18.033823
"343513"	342.5659495	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+H+NH4"	19.041099
"736661"	509.0886495	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+H+NH4"	19.041099
"1488294"	176.0432495	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H+NH4"	19.041099
"408273"	689.080018	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+Na"	22.989218
"769063"	1022.125418	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+Na"	22.989218
"1613880"	356.034618	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Na"	22.989218
"328783"	345.043647	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+H+Na"	23.996494
"719626"	511.566347	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+H+Na"	23.996494
"1466883"	178.520947	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H+Na"	23.996494
"1055024"	119.349723333333	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2H+Na"	25.00377
"1263992"	366.078886	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+CH3OH+H"	33.033486
"386942"	705.053958	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+K"	38.963158
"750123"	1038.099358	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+K"	38.963158
"1553267"	372.008558	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+K"	38.963158
"310444"	353.030617	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+H+K"	39.970434
"699583"	519.553317	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+H+K"	39.970434
"1454496"	186.507917	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H+K"	39.970434
"243099"	708.124626	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+ACN+H"	42.033826
"1216901"	375.079226	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+ACN+H"	42.033826
"1198597"	188.043251	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+ACN+2H"	43.041102
"190741"	711.06196	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+2Na-H"	44.97116
"629045"	1044.10736	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+2Na-H"	44.97116
"1133443"	378.01656	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2Na-H"	44.97116
"176735"	356.034618	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+2Na"	45.978436
"612926"	522.557318	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+2Na"	45.978436
"1117738"	189.511918	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2Na"	45.978436
"1403696"	126.677037333333	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H+2Na"	46.985712
"1437642"	380.058146	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H+HCOOH"	47.012746
"231709"	361.06764	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+3H2O+2H"	56.04448
"1518679"	394.11019	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+IsoProp+H"	61.06479
"415084"	364.021588	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+Na+K"	61.952376
"770609"	530.544288	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+Na+K"	61.952376
"1671319"	197.498888	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Na+K"	61.952376
"255649"	730.106568	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+ACN+Na"	64.015768
"1230547"	397.061168	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+ACN+Na"	64.015768
"1719432"	397.084693	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+NH4+HCOOH"	64.039293
"1185881"	134.004351333333	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+3Na"	68.967654
"1656869"	402.040088	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Na+HCOOH"	68.994688
"162638"	743.00984	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+2K-H"	76.91904
"604384"	1076.05524	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+2K-H"	76.91904
"1093270"	409.96444	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2K-H"	76.91904
"151182"	372.008558	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"2M+2K"	77.926316
"586366"	538.531258	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"3M+2K"	77.926316
"1076346"	205.485858	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2K"	77.926316
"1105179"	411.978992	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2K+H"	78.933592
"1341565"	412.066607	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+DMSO+H"	79.021207
"1012283"	416.105776	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2ACN+H"	83.060376
"1532595"	417.099408	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+IsoProp+Na+H"	84.054008
"999042"	208.556526	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+2ACN+2H"	84.067652
"1594640"	418.014028	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+K+HCOOH"	84.968628
"1416168"	448.045538	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+H+CF3COOH"	115.000138
"1147554"	229.069801	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+3ACN+2H"	125.094202
"1699053"	465.072085	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+NH4+CF3COOH"	132.026685
"1647829"	470.02748	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+Na+CF3COOH"	136.98208
"1579106"	486.00142	"C10932"	"Carpropamid"	"C15H18Cl3NO"	"333.0454"	"M+K+CF3COOH"	152.95602
"801378"	369.0413	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M"	0
"980815"	350.02291	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-H2O-H"	-19.01839
"65775"	245.020257333333	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M-3H"	-3.021828
"505337"	368.034024	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M-3H"	-3.021828
"883508"	122.006490666667	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-3H"	-3.021828
"2810"	368.034024	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M-2H"	-2.014552
"443100"	552.554674	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M-2H"	-2.014552
"824546"	183.513374	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-2H"	-2.014552
"87819"	737.075324	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M-H"	-1.007276
"526287"	1106.116624	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M-H"	-1.007276
"904089"	368.034024	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-H"	-1.007276
"58465"	754.101871	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M-2H+NH4"	16.019271
"494748"	1123.143171	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M-2H+NH4"	16.019271
"872548"	385.060571	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-2H+NH4"	16.019271
"31778"	759.057266	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M-2H+Na"	20.974666
"476730"	1128.098566	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M-2H+Na"	20.974666
"854531"	390.015966	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-2H+Na"	20.974666
"1618998"	390.015966	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Na-2H"	20.974666
"94799"	386.022363	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M-H+Cl"	33.962126
"535532"	570.543013	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M-H+Cl"	33.962126
"927591"	201.501713	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-H+Cl"	33.962126
"267362"	773.052002	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+Cl"	34.969402
"660431"	1142.093302	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+Cl"	34.969402
"1274866"	404.010702	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Cl"	34.969402
"16206"	775.031206	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M-2H+K"	36.948606
"456132"	1144.072506	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M-2H+K"	36.948606
"835149"	405.989906	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-2H+K"	36.948606
"1559367"	405.989906	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+K-2H"	36.948606
"943358"	414.039494	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-H+HCOOH"	44.998194
"361731"	783.080801	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+HCOOH-H"	44.998201
"346062"	797.096451	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+Hac-H"	59.013851
"1493804"	428.055151	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Hac-H"	59.013851
"963175"	436.021451	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-H+NaCOOH"	66.980151
"113173"	404.010702	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+2Cl"	69.938804
"553828"	588.531352	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+2Cl"	69.938804
"1026274"	219.490052	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2Cl"	69.938804
"1244759"	447.960185	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Br"	78.918885
"1308669"	450.016172	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Cl+HCOOH"	80.974872
"1327991"	471.998129	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Cl+NaCOOH"	102.956829
"914310"	482.026886	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M-H+CF3COOH"	112.985586
"1294664"	518.003564	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Cl+CF3COOH"	148.962264
"1371004"	334.028624	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H-2H2O"	-35.012676
"1386315"	352.0386	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H-H2O"	-17.0027
"284175"	739.089876	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+H"	1.007276
"675981"	1108.131176	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+H"	1.007276
"1354409"	370.048576	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H"	1.007276
"126565"	370.048576	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+2H"	2.014552
"566860"	554.569226	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+2H"	2.014552
"1047691"	185.527926	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2H"	2.014552
"218875"	247.034809333333	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+3H"	3.021828
"656248"	370.048576	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+3H"	3.021828
"1174374"	124.021042666667	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+3H"	3.021828
"433270"	756.116423	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+NH4"	18.033823
"800712"	1125.157723	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+NH4"	18.033823
"1693879"	387.075123	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+NH4"	18.033823
"343253"	378.5618495	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+H+NH4"	19.041099
"735678"	563.0824995	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+H+NH4"	19.041099
"1488404"	194.0411995	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H+NH4"	19.041099
"405991"	761.071818	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+Na"	22.989218
"768810"	1130.113118	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+Na"	22.989218
"1613990"	392.030518	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Na"	22.989218
"328772"	381.039547	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+H+Na"	23.996494
"720708"	565.560197	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+H+Na"	23.996494
"1466996"	196.518897	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H+Na"	23.996494
"1055861"	131.348356666667	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2H+Na"	25.00377
"1263010"	402.074786	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+CH3OH+H"	33.033486
"388144"	777.045758	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+K"	38.963158
"750232"	1146.087058	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+K"	38.963158
"1550097"	408.004458	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+K"	38.963158
"310553"	389.026517	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+H+K"	39.970434
"701881"	573.547167	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+H+K"	39.970434
"1451327"	204.505867	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H+K"	39.970434
"242114"	780.116426	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+ACN+H"	42.033826
"1213730"	411.075126	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+ACN+H"	42.033826
"1196521"	206.041201	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+ACN+2H"	43.041102
"189394"	783.05376	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+2Na-H"	44.97116
"629557"	1152.09506	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+2Na-H"	44.97116
"1132823"	414.01246	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2Na-H"	44.97116
"173565"	392.030518	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+2Na"	45.978436
"613486"	576.551168	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+2Na"	45.978436
"1116625"	207.509868	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2Na"	45.978436
"1407087"	138.675670666667	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H+2Na"	46.985712
"1436660"	416.054046	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H+HCOOH"	47.012746
"230727"	397.06354	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+3H2O+2H"	56.04448
"1516603"	430.10609	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+IsoProp+H"	61.06479
"418475"	400.017488	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+Na+K"	61.952376
"777283"	584.538138	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+Na+K"	61.952376
"1672522"	215.496838	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Na+K"	61.952376
"254301"	802.098368	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+ACN+Na"	64.015768
"1231750"	433.057068	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+ACN+Na"	64.015768
"1717355"	433.080593	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+NH4+HCOOH"	64.039293
"1185991"	146.002984666667	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+3Na"	68.967654
"1655886"	438.035988	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Na+HCOOH"	68.994688
"163841"	815.00164	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+2K-H"	76.91904
"603401"	1184.04294	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+2K-H"	76.91904
"1092287"	445.96034	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2K-H"	76.91904
"148012"	408.004458	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"2M+2K"	77.926316
"586475"	592.525108	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"3M+2K"	77.926316
"1075361"	223.483808	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2K"	77.926316
"1107476"	447.974892	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2K+H"	78.933592
"1342768"	448.062507	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+DMSO+H"	79.021207
"1013486"	452.101676	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2ACN+H"	83.060376
"1533798"	453.095308	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+IsoProp+Na+H"	84.054008
"998059"	226.554476	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+2ACN+2H"	84.067652
"1593655"	454.009928	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+K+HCOOH"	84.968628
"1416036"	484.041438	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+H+CF3COOH"	115.000138
"1147787"	247.067751	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+3ACN+2H"	125.094202
"1699163"	501.067985	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+NH4+CF3COOH"	132.026685
"1647939"	506.02338	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+Na+CF3COOH"	136.98208
"1579216"	521.99732	"C10933"	"Amidosulfuron"	"C9H15N5O7S2"	"369.0413"	"M+K+CF3COOH"	152.95602
"801513"	188.9748	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M"	0
"979832"	169.95641	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-H2O-H"	-19.01839
"63699"	124.975924	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M-3H"	-3.021828
"503381"	187.967524	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M-3H"	-3.021828
"883254"	61.984324	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-3H"	-3.021828
"5472"	187.967524	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M-2H"	-2.014552
"442846"	282.454924	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M-2H"	-2.014552
"823563"	93.480124	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-2H"	-2.014552
"87929"	376.942324	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M-H"	-1.007276
"523117"	565.917124	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M-H"	-1.007276
"904199"	187.967524	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-H"	-1.007276
"58575"	393.968871	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M-2H+NH4"	16.019271
"493764"	582.943671	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M-2H+NH4"	16.019271
"871565"	204.994071	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-2H+NH4"	16.019271
"31586"	398.924266	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M-2H+Na"	20.974666
"472098"	587.899066	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M-2H+Na"	20.974666
"851361"	209.949466	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-2H+Na"	20.974666
"1618824"	209.949466	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Na-2H"	20.974666
"94621"	205.955863	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M-H+Cl"	33.962126
"534465"	300.443263	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M-H+Cl"	33.962126
"927372"	111.468463	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-H+Cl"	33.962126
"267167"	412.919002	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+Cl"	34.969402
"659968"	601.893802	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+Cl"	34.969402
"1272866"	223.944202	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Cl"	34.969402
"16113"	414.898206	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M-2H+K"	36.948606
"456239"	603.873006	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M-2H+K"	36.948606
"834165"	225.923406	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-2H+K"	36.948606
"1558749"	225.923406	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+K-2H"	36.948606
"942981"	233.972994	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-H+HCOOH"	44.998194
"362329"	422.947801	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+HCOOH-H"	44.998201
"346292"	436.963451	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+Hac-H"	59.013851
"1492828"	247.988651	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Hac-H"	59.013851
"964378"	255.954951	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-H+NaCOOH"	66.980151
"113283"	223.944202	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+2Cl"	69.938804
"554302"	318.431602	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+2Cl"	69.938804
"1025655"	129.456802	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2Cl"	69.938804
"1247056"	267.893685	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Br"	78.918885
"1308779"	269.949672	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Cl+HCOOH"	80.974872
"1325915"	291.931629	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Cl+NaCOOH"	102.956829
"916243"	301.960386	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M-H+CF3COOH"	112.985586
"1293681"	337.937064	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Cl+CF3COOH"	148.962264
"1373301"	153.962124	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H-2H2O"	-35.012676
"1386789"	171.9721	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H-H2O"	-17.0027
"284406"	378.956876	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+H"	1.007276
"676210"	567.931676	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+H"	1.007276
"1352449"	189.982076	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H"	1.007276
"128133"	189.982076	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+2H"	2.014552
"568060"	284.469476	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+2H"	2.014552
"1046708"	95.494676	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2H"	2.014552
"218257"	126.990476	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+3H"	3.021828
"655265"	189.982076	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+3H"	3.021828
"1174484"	63.998876	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+3H"	3.021828
"432287"	395.983423	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+NH4"	18.033823
"798391"	584.958223	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+NH4"	18.033823
"1693989"	207.008623	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+NH4"	18.033823
"343361"	198.4953495	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+H+NH4"	19.041099
"735788"	292.9827495	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+H+NH4"	19.041099
"1489607"	104.0079495	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H+NH4"	19.041099
"406101"	400.938818	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+Na"	22.989218
"762721"	589.913618	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+Na"	22.989218
"1607538"	211.964018	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Na"	22.989218
"326329"	200.973047	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+H+Na"	23.996494
"718753"	295.460447	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+H+Na"	23.996494
"1468199"	106.485647	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H+Na"	23.996494
"1056339"	71.32619	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2H+Na"	25.00377
"1260934"	222.008286	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+CH3OH+H"	33.033486
"386068"	416.912758	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+K"	38.963158
"747063"	605.887558	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+K"	38.963158
"1546926"	227.937958	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+K"	38.963158
"305196"	208.960017	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+H+K"	39.970434
"696524"	303.447417	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+H+K"	39.970434
"1449251"	114.472617	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H+K"	39.970434
"238213"	419.983426	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+ACN+H"	42.033826
"1211655"	231.008626	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+ACN+H"	42.033826
"1195902"	116.007951	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+ACN+2H"	43.041102
"189869"	422.92076	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+2Na-H"	44.97116
"629794"	611.89556	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+2Na-H"	44.97116
"1132932"	233.94596	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2Na-H"	44.97116
"173675"	211.964018	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+2Na"	45.978436
"613958"	306.451418	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+2Na"	45.978436
"1117098"	117.476618	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2Na"	45.978436
"1404647"	78.653504	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H+2Na"	46.985712
"1437862"	235.987546	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H+HCOOH"	47.012746
"230837"	216.99704	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+3H2O+2H"	56.04448
"1517806"	250.03959	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+IsoProp+H"	61.06479
"412024"	219.950988	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+Na+K"	61.952376
"771925"	314.438388	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+Na+K"	61.952376
"1673725"	125.463588	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Na+K"	61.952376
"253682"	441.965368	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+ACN+Na"	64.015768
"1228580"	252.990568	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+ACN+Na"	64.015768
"1716372"	253.014093	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+NH4+HCOOH"	64.039293
"1182819"	85.980818	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+3Na"	68.967654
"1655996"	257.969488	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Na+HCOOH"	68.994688
"166138"	454.86864	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+2K-H"	76.91904
"603511"	643.84344	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+2K-H"	76.91904
"1092396"	265.89384	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2K-H"	76.91904
"149215"	227.937958	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"2M+2K"	77.926316
"585493"	322.425358	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"3M+2K"	77.926316
"1075471"	133.450558	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2K"	77.926316
"1109774"	267.908392	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2K+H"	78.933592
"1349317"	267.996007	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+DMSO+H"	79.021207
"1014689"	272.035176	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2ACN+H"	83.060376
"1535002"	273.028808	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+IsoProp+Na+H"	84.054008
"1003638"	136.521226	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+2ACN+2H"	84.067652
"1592672"	273.943428	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+K+HCOOH"	84.968628
"1415172"	303.974938	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+H+CF3COOH"	115.000138
"1147897"	157.034501	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+3ACN+2H"	125.094202
"1698544"	321.001485	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+NH4+CF3COOH"	132.026685
"1648049"	325.95688	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+Na+CF3COOH"	136.98208
"1579326"	341.93082	"C10934"	"26-Dichlorobenzamide;DCB"	"C7H5Cl2NO"	"188.9748"	"M+K+CF3COOH"	152.95602
"804222"	191.131	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M"	0
"981035"	172.11261	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-H2O-H"	-19.01839
"67089"	126.413390666667	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M-3H"	-3.021828
"506649"	190.123724	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M-3H"	-3.021828
"887734"	62.7030573333333	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-3H"	-3.021828
"5218"	190.123724	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M-2H"	-2.014552
"443685"	285.689224	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M-2H"	-2.014552
"823673"	94.558224	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-2H"	-2.014552
"85852"	381.254724	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M-H"	-1.007276
"523227"	572.385724	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M-H"	-1.007276
"897748"	190.123724	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-H"	-1.007276
"57592"	398.281271	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M-2H+NH4"	16.019271
"490594"	589.412271	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M-2H+NH4"	16.019271
"869488"	207.150271	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-2H+NH4"	16.019271
"32041"	403.236666	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M-2H+Na"	20.974666
"472697"	594.367666	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M-2H+Na"	20.974666
"854751"	212.105666	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-2H+Na"	20.974666
"1619297"	212.105666	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Na-2H"	20.974666
"94973"	208.112063	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M-H+Cl"	33.962126
"535267"	303.677563	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M-H+Cl"	33.962126
"928540"	112.546563	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-H+Cl"	33.962126
"267420"	417.231402	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+Cl"	34.969402
"660103"	608.362402	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+Cl"	34.969402
"1273870"	226.100402	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Cl"	34.969402
"17764"	419.210606	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M-2H+K"	36.948606
"457569"	610.341606	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M-2H+K"	36.948606
"837192"	228.079606	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-2H+K"	36.948606
"1559953"	228.079606	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+K-2H"	36.948606
"946376"	236.129194	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-H+HCOOH"	44.998194
"365319"	427.260201	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+HCOOH-H"	44.998201
"347015"	441.275851	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+Hac-H"	59.013851
"1493903"	250.144851	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Hac-H"	59.013851
"959989"	258.111151	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-H+NaCOOH"	66.980151
"110596"	226.100402	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+2Cl"	69.938804
"551006"	321.665902	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+2Cl"	69.938804
"1023939"	130.534902	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2Cl"	69.938804
"1241570"	270.049885	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Br"	78.918885
"1307065"	272.105872	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Cl+HCOOH"	80.974872
"1320304"	294.087829	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Cl+NaCOOH"	102.956829
"917083"	304.116586	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M-H+CF3COOH"	112.985586
"1293425"	340.093264	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Cl+CF3COOH"	148.962264
"1372682"	156.118324	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H-2H2O"	-35.012676
"1388358"	174.1283	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H-H2O"	-17.0027
"284395"	383.269276	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+H"	1.007276
"676080"	574.400276	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+H"	1.007276
"1354262"	192.138276	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H"	1.007276
"128244"	192.138276	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+2H"	2.014552
"570359"	287.703776	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+2H"	2.014552
"1047911"	96.572776	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2H"	2.014552
"219786"	128.427942666667	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+3H"	3.021828
"656468"	192.138276	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+3H"	3.021828
"1175685"	64.7176093333333	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+3H"	3.021828
"431303"	400.295823	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+NH4"	18.033823
"801054"	591.426823	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+NH4"	18.033823
"1696286"	209.164823	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+NH4"	18.033823
"344568"	200.6515495	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+H+NH4"	19.041099
"737966"	296.2170495	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+H+NH4"	19.041099
"1486437"	105.0860495	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H+NH4"	19.041099
"404025"	405.251218	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+Na"	22.989218
"761737"	596.382218	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+Na"	22.989218
"1612020"	214.120218	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Na"	22.989218
"325343"	203.129247	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+H+Na"	23.996494
"716676"	298.694747	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+H+Na"	23.996494
"1471588"	107.563747	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H+Na"	23.996494
"1057178"	72.0449233333333	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2H+Na"	25.00377
"1262136"	224.164486	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+CH3OH+H"	33.033486
"388366"	421.225158	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+K"	38.963158
"744985"	612.356158	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+K"	38.963158
"1545944"	230.094158	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+K"	38.963158
"304213"	211.116217	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+H+K"	39.970434
"696632"	306.681717	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+H+K"	39.970434
"1450454"	115.550717	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H+K"	39.970434
"241238"	424.295826	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+ACN+H"	42.033826
"1213951"	233.164826	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+ACN+H"	42.033826
"1197835"	117.086051	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+ACN+2H"	43.041102
"189616"	427.23316	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+2Na-H"	44.97116
"630270"	618.36416	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+2Na-H"	44.97116
"1134866"	236.10216	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2Na-H"	44.97116
"175972"	214.120218	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+2Na"	45.978436
"615531"	309.685718	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+2Na"	45.978436
"1116724"	118.554718	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2Na"	45.978436
"1402570"	79.3722373333333	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H+2Na"	46.985712
"1437972"	238.143746	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H+HCOOH"	47.012746
"228760"	219.15324	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+3H2O+2H"	56.04448
"1515728"	252.19579	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+IsoProp+H"	61.06479
"412133"	222.107188	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+Na+K"	61.952376
"774221"	317.672688	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+Na+K"	61.952376
"1673834"	126.541688	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Na+K"	61.952376
"259259"	446.277768	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+ACN+Na"	64.015768
"1231969"	255.146768	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+ACN+Na"	64.015768
"1723042"	255.170293	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+NH4+HCOOH"	64.039293
"1186209"	86.6995513333333	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+3Na"	68.967654
"1661572"	260.125688	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Na+HCOOH"	68.994688
"170259"	459.18104	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+2K-H"	76.91904
"604714"	650.31204	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+2K-H"	76.91904
"1094693"	268.05004	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2K-H"	76.91904
"152605"	230.094158	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"2M+2K"	77.926316
"588883"	325.659658	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"3M+2K"	77.926316
"1081048"	134.528658	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2K"	77.926316
"1113163"	270.064592	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2K+H"	78.933592
"1349306"	270.152207	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+DMSO+H"	79.021207
"1013705"	274.191376	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2ACN+H"	83.060376
"1535110"	275.185008	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+IsoProp+Na+H"	84.054008
"1004965"	137.599326	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+2ACN+2H"	84.067652
"1600436"	276.099628	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+K+HCOOH"	84.968628
"1414673"	306.131138	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+H+CF3COOH"	115.000138
"1148007"	158.112601	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+3ACN+2H"	125.094202
"1698290"	323.157685	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+NH4+CF3COOH"	132.026685
"1648159"	328.11308	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+Na+CF3COOH"	136.98208
"1579436"	344.08702	"C10935"	"NN-Diethyl-m-toluamide;Diethyltoluamide;DEET"	"C12H17NO"	"191.131"	"M+K+CF3COOH"	152.95602
"805425"	353.2103	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M"	0
"981145"	334.19191	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-H2O-H"	-19.01839
"68293"	234.466257333333	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M-3H"	-3.021828
"503722"	352.203024	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M-3H"	-3.021828
"887844"	116.729490666667	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-3H"	-3.021828
"7514"	352.203024	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M-2H"	-2.014552
"444888"	528.808174	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M-2H"	-2.014552
"821596"	175.597874	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-2H"	-2.014552
"84869"	705.413324	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M-H"	-1.007276
"523337"	1058.623624	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M-H"	-1.007276
"897858"	352.203024	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-H"	-1.007276
"58795"	722.439871	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M-2H+NH4"	16.019271
"490704"	1075.650171	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M-2H+NH4"	16.019271
"875064"	369.229571	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-2H+NH4"	16.019271
"32029"	727.395266	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M-2H+Na"	20.974666
"473901"	1080.605566	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M-2H+Na"	20.974666
"854861"	374.184966	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-2H+Na"	20.974666
"1618881"	374.184966	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Na-2H"	20.974666
"95567"	370.191363	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M-H+Cl"	33.962126
"534526"	546.796513	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M-H+Cl"	33.962126
"927793"	193.586213	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-H+Cl"	33.962126
"268549"	741.390002	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+Cl"	34.969402
"660481"	1094.600302	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+Cl"	34.969402
"1273493"	388.179702	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Cl"	34.969402
"16170"	743.369206	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M-2H+K"	36.948606
"457800"	1096.579506	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M-2H+K"	36.948606
"837302"	390.158906	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-2H+K"	36.948606
"1562978"	390.158906	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+K-2H"	36.948606
"943204"	398.208494	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-H+HCOOH"	44.998194
"366158"	751.418801	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+HCOOH-H"	44.998201
"347853"	765.434451	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+Hac-H"	59.013851
"1493162"	412.224151	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Hac-H"	59.013851
"961679"	420.190451	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-H+NaCOOH"	66.980151
"110706"	388.179702	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+2Cl"	69.938804
"552088"	564.784852	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+2Cl"	69.938804
"1024049"	211.574552	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2Cl"	69.938804
"1241801"	432.129185	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Br"	78.918885
"1306447"	434.185172	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Cl+HCOOH"	80.974872
"1320295"	456.167129	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Cl+NaCOOH"	102.956829
"917192"	466.195886	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M-H+CF3COOH"	112.985586
"1294993"	502.172564	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Cl+CF3COOH"	148.962264
"1374250"	318.197624	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H-2H2O"	-35.012676
"1387374"	336.2076	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H-H2O"	-17.0027
"284504"	707.427876	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+H"	1.007276
"675946"	1060.638176	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+H"	1.007276
"1353644"	354.217576	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H"	1.007276
"127018"	354.217576	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+2H"	2.014552
"570468"	530.822726	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+2H"	2.014552
"1043645"	177.612426	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2H"	2.014552
"219652"	236.480809333333	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+3H"	3.021828
"657671"	354.217576	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+3H"	3.021828
"1174702"	118.744042666667	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+3H"	3.021828
"430320"	724.454423	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+NH4"	18.033823
"800677"	1077.664723	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+NH4"	18.033823
"1695669"	371.244123	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+NH4"	18.033823
"345413"	362.7308495	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+H+NH4"	19.041099
"738195"	539.3359995	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+H+NH4"	19.041099
"1492624"	186.1256995	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H+NH4"	19.041099
"408465"	729.409818	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+Na"	22.989218
"769913"	1082.620118	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+Na"	22.989218
"1609944"	376.199518	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Na"	22.989218
"326182"	365.208547	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+H+Na"	23.996494
"720065"	541.813697	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+H+Na"	23.996494
"1472791"	188.603397	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H+Na"	23.996494
"1060568"	126.071356666667	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2H+Na"	25.00377
"1263339"	386.243786	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+CH3OH+H"	33.033486
"389205"	745.383758	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+K"	38.963158
"744001"	1098.594058	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+K"	38.963158
"1546053"	392.173458	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+K"	38.963158
"305416"	373.195517	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+H+K"	39.970434
"696742"	549.800667	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+H+K"	39.970434
"1450564"	196.590367	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H+K"	39.970434
"240255"	748.454426	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+ACN+H"	42.033826
"1211874"	395.244126	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+ACN+H"	42.033826
"1196852"	198.125701	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+ACN+2H"	43.041102
"191912"	751.39176	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+2Na-H"	44.97116
"629162"	1104.60206	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+2Na-H"	44.97116
"1134977"	398.18146	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2Na-H"	44.97116
"176082"	376.199518	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+2Na"	45.978436
"618921"	552.804668	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+2Na"	45.978436
"1115981"	199.594368	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2Na"	45.978436
"1400854"	133.398670666667	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H+2Na"	46.985712
"1439175"	400.223046	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H+HCOOH"	47.012746
"227777"	381.23254	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+3H2O+2H"	56.04448
"1514745"	414.27509	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+IsoProp+H"	61.06479
"412607"	384.186488	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+Na+K"	61.952376
"772873"	560.791638	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+Na+K"	61.952376
"1672851"	207.581338	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Na+K"	61.952376
"259369"	770.436368	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+ACN+Na"	64.015768
"1230986"	417.226068	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+ACN+Na"	64.015768
"1719872"	417.249593	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+NH4+HCOOH"	64.039293
"1184132"	140.725984666667	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+3Na"	68.967654
"1658398"	422.204988	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Na+HCOOH"	68.994688
"165258"	783.33964	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+2K-H"	76.91904
"604820"	1136.54994	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+2K-H"	76.91904
"1092616"	430.12934	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2K-H"	76.91904
"147248"	392.173458	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"2M+2K"	77.926316
"588993"	568.778608	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"3M+2K"	77.926316
"1078972"	215.568308	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2K"	77.926316
"1109993"	432.143892	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2K+H"	78.933592
"1349657"	432.231507	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+DMSO+H"	79.021207
"1016002"	436.270676	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2ACN+H"	83.060376
"1533033"	437.264308	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+IsoProp+Na+H"	84.054008
"1000576"	218.638976	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+2ACN+2H"	84.067652
"1598360"	438.178928	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+K+HCOOH"	84.968628
"1415271"	468.210438	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+H+CF3COOH"	115.000138
"1148117"	239.152251	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+3ACN+2H"	125.094202
"1700586"	485.236985	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+NH4+CF3COOH"	132.026685
"1648269"	490.19238	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+Na+CF3COOH"	136.98208
"1579546"	506.16632	"C10936"	"N-(26-Dimethylphenyl)-4-(diethylamino)acetylaminobenzamide;DEGA"	"C21H27N3O2"	"353.2103"	"M+K+CF3COOH"	152.95602
"801471"	410.0896	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M"	0
"976882"	391.07121	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-H2O-H"	-19.01839
"69497"	272.385790666667	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M-3H"	-3.021828
"510152"	409.082324	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M-3H"	-3.021828
"892330"	135.689257333333	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-3H"	-3.021828
"7626"	409.082324	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M-2H"	-2.014552
"448280"	614.127124	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M-2H"	-2.014552
"820613"	204.037524	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-2H"	-2.014552
"84978"	819.171924	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M-H"	-1.007276
"523446"	1229.261524	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M-H"	-1.007276
"897968"	409.082324	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-H"	-1.007276
"51250"	836.198471	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M-2H+NH4"	16.019271
"494095"	1246.288071	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M-2H+NH4"	16.019271
"871895"	426.108871	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-2H+NH4"	16.019271
"31482"	841.153866	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M-2H+Na"	20.974666
"473890"	1251.243466	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M-2H+Na"	20.974666
"860438"	431.064266	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-2H+Na"	20.974666
"1619157"	431.064266	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Na-2H"	20.974666
"94632"	427.070663	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M-H+Cl"	33.962126
"535246"	632.115463	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M-H+Cl"	33.962126
"927133"	222.025863	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-H+Cl"	33.962126
"267808"	855.148602	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+Cl"	34.969402
"660429"	1265.238202	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+Cl"	34.969402
"1273275"	445.059002	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Cl"	34.969402
"16399"	857.127806	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M-2H+K"	36.948606
"458883"	1267.217406	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M-2H+K"	36.948606
"838871"	447.038206	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-2H+K"	36.948606
"1563089"	447.038206	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+K-2H"	36.948606
"944772"	455.087794	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-H+HCOOH"	44.998194
"365173"	865.177401	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+HCOOH-H"	44.998201
"347598"	879.193051	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+Hac-H"	59.013851
"1493153"	469.103451	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Hac-H"	59.013851
"959963"	477.069751	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-H+NaCOOH"	66.980151
"112882"	445.059002	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+2Cl"	69.938804
"552807"	650.103802	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+2Cl"	69.938804
"1024524"	240.014202	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2Cl"	69.938804
"1241915"	489.008485	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Br"	78.918885
"1306557"	491.064472	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Cl+HCOOH"	80.974872
"1320081"	513.046429	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Cl+NaCOOH"	102.956829
"917302"	523.075186	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M-H+CF3COOH"	112.985586
"1298383"	559.051864	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Cl+CF3COOH"	148.962264
"1368891"	375.076924	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H-2H2O"	-35.012676
"1387484"	393.0869	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H-H2O"	-17.0027
"283522"	821.186476	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+H"	1.007276
"675734"	1231.276076	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+H"	1.007276
"1351464"	411.096876	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H"	1.007276
"126299"	411.096876	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+2H"	2.014552
"565819"	616.141676	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+2H"	2.014552
"1039378"	206.052076	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2H"	2.014552
"218587"	274.400342666667	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+3H"	3.021828
"655594"	411.096876	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+3H"	3.021828
"1174812"	137.703809333333	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+3H"	3.021828
"432614"	838.213023	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+NH4"	18.033823
"800545"	1248.302623	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+NH4"	18.033823
"1695414"	428.123423	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+NH4"	18.033823
"345525"	419.6101495	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+H+NH4"	19.041099
"738451"	624.6549495	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+H+NH4"	19.041099
"1492491"	214.5653495	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H+NH4"	19.041099
"408418"	843.168418	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+Na"	22.989218
"769125"	1253.258018	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+Na"	22.989218
"1616613"	433.078818	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Na"	22.989218
"325563"	422.087847	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+H+Na"	23.996494
"721268"	627.132647	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+H+Na"	23.996494
"1472902"	217.043047	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H+Na"	23.996494
"1060678"	145.031123333333	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2H+Na"	25.00377
"1262356"	443.123086	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+CH3OH+H"	33.033486
"389315"	859.142358	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+K"	38.963158
"747393"	1269.231958	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+K"	38.963158
"1545072"	449.052758	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+K"	38.963158
"307714"	430.074817	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+H+K"	39.970434
"697948"	635.119617	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+H+K"	39.970434
"1453956"	225.030017	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H+K"	39.970434
"241463"	862.213026	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+ACN+H"	42.033826
"1211984"	452.123426	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+ACN+H"	42.033826
"1198055"	226.565351	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+ACN+2H"	43.041102
"190077"	865.15036	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+2Na-H"	44.97116
"629637"	1275.23996	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+2Na-H"	44.97116
"1135087"	455.06076	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2Na-H"	44.97116
"173637"	433.078818	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+2Na"	45.978436
"614900"	638.123618	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+2Na"	45.978436
"1116214"	228.034018	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2Na"	45.978436
"1400964"	152.358437333333	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H+2Na"	46.985712
"1434910"	457.102346	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H+HCOOH"	47.012746
"222416"	438.11184	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+3H2O+2H"	56.04448
"1511571"	471.15439	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+IsoProp+H"	61.06479
"411623"	441.065788	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+Na+K"	61.952376
"772619"	646.110588	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+Na+K"	61.952376
"1669680"	236.020988	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Na+K"	61.952376
"256199"	884.194968	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+ACN+Na"	64.015768
"1230367"	474.105368	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+ACN+Na"	64.015768
"1719982"	474.128893	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+NH4+HCOOH"	64.039293
"1183149"	159.685751333333	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+3Na"	68.967654
"1658508"	479.084288	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Na+HCOOH"	68.994688
"160995"	897.09824	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+2K-H"	76.91904
"604930"	1307.18784	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+2K-H"	76.91904
"1086526"	487.00864	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2K-H"	76.91904
"147358"	449.052758	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"2M+2K"	77.926316
"588010"	654.097558	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"3M+2K"	77.926316
"1074708"	244.007958	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2K"	77.926316
"1104636"	489.023192	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2K+H"	78.933592
"1346487"	489.110807	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+DMSO+H"	79.021207
"1015019"	493.149976	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2ACN+H"	83.060376
"1532050"	494.143608	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+IsoProp+Na+H"	84.054008
"1001779"	247.078626	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+2ACN+2H"	84.067652
"1599563"	495.058228	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+K+HCOOH"	84.968628
"1415747"	525.089738	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+H+CF3COOH"	115.000138
"1148952"	267.591901	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+3ACN+2H"	125.094202
"1697286"	542.116285	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+NH4+CF3COOH"	132.026685
"1648379"	547.07168	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+Na+CF3COOH"	136.98208
"1579656"	563.04562	"C10937"	"Bensulfuron-methyl;Bensulfuron methyl;Methyl bensulfuron"	"C16H18N4O7S"	"410.0896"	"M+K+CF3COOH"	152.95602
"806740"	191.131	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M"	0
"980272"	172.11261	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-H2O-H"	-19.01839
"66328"	126.413390666667	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M-3H"	-3.021828
"515730"	190.123724	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M-3H"	-3.021828
"893416"	62.7030573333333	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-3H"	-3.021828
"11017"	190.123724	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M-2H"	-2.014552
"448390"	285.689224	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M-2H"	-2.014552
"820723"	94.558224	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-2H"	-2.014552
"85088"	381.254724	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M-H"	-1.007276
"522463"	572.385724	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M-H"	-1.007276
"897106"	190.123724	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-H"	-1.007276
"51360"	398.281271	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M-2H+NH4"	16.019271
"497121"	589.412271	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M-2H+NH4"	16.019271
"873828"	207.150271	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-2H+NH4"	16.019271
"41728"	403.236666	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M-2H+Na"	20.974666
"479466"	594.367666	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M-2H+Na"	20.974666
"855080"	212.105666	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-2H+Na"	20.974666
"1619146"	212.105666	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Na-2H"	20.974666
"98955"	208.112063	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M-H+Cl"	33.962126
"534502"	303.677563	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M-H+Cl"	33.962126
"927409"	112.546563	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-H+Cl"	33.962126
"267431"	417.231402	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+Cl"	34.969402
"660037"	608.362402	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+Cl"	34.969402
"1272853"	226.100402	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Cl"	34.969402
"15774"	419.210606	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M-2H+K"	36.948606
"457900"	610.341606	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M-2H+K"	36.948606
"839711"	228.079606	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-2H+K"	36.948606
"1559919"	228.079606	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+K-2H"	36.948606
"944152"	236.129194	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-H+HCOOH"	44.998194
"366012"	427.260201	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+HCOOH-H"	44.998201
"348802"	441.275851	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+Hac-H"	59.013851
"1494355"	250.144851	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Hac-H"	59.013851
"959712"	258.111151	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-H+NaCOOH"	66.980151
"111169"	226.100402	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+2Cl"	69.938804
"551824"	321.665902	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+2Cl"	69.938804
"1022084"	130.534902	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2Cl"	69.938804
"1241657"	270.049885	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Br"	78.918885
"1307761"	272.105872	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Cl+HCOOH"	80.974872
"1322339"	294.087829	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Cl+NaCOOH"	102.956829
"917412"	304.116586	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M-H+CF3COOH"	112.985586
"1298493"	340.093264	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Cl+CF3COOH"	148.962264
"1369365"	156.118324	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H-2H2O"	-35.012676
"1383223"	174.1283	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H-H2O"	-17.0027
"285094"	383.269276	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+H"	1.007276
"675802"	574.400276	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+H"	1.007276
"1351418"	192.138276	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H"	1.007276
"125801"	192.138276	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+2H"	2.014552
"566471"	287.703776	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+2H"	2.014552
"1039488"	96.572776	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2H"	2.014552
"219633"	128.427942666667	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+3H"	3.021828
"659231"	192.138276	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+3H"	3.021828
"1177599"	64.7176093333333	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+3H"	3.021828
"434913"	400.295823	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+NH4"	18.033823
"800653"	591.426823	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+NH4"	18.033823
"1696502"	209.164823	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+NH4"	18.033823
"344904"	200.6515495	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+H+NH4"	19.041099
"738416"	296.2170495	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+H+NH4"	19.041099
"1491873"	105.0860495	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H+NH4"	19.041099
"408127"	405.251218	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+Na"	22.989218
"769486"	596.382218	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+Na"	22.989218
"1618065"	214.120218	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Na"	22.989218
"322387"	203.129247	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+H+Na"	23.996494
"714813"	298.694747	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+H+Na"	23.996494
"1474105"	107.563747	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H+Na"	23.996494
"1061881"	72.0449233333333	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2H+Na"	25.00377
"1265747"	224.164486	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+CH3OH+H"	33.033486
"389790"	421.225158	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+K"	38.963158
"747504"	612.356158	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+K"	38.963158
"1547368"	230.094158	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+K"	38.963158
"307825"	211.116217	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+H+K"	39.970434
"701340"	306.681717	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+H+K"	39.970434
"1455160"	115.550717	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H+K"	39.970434
"244854"	424.295826	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+ACN+H"	42.033826
"1216469"	233.164826	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+ACN+H"	42.033826
"1200350"	117.086051	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+ACN+2H"	43.041102
"191035"	427.23316	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+2Na-H"	44.97116
"633875"	618.36416	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+2Na-H"	44.97116
"1133252"	236.10216	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2Na-H"	44.97116
"172928"	214.120218	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+2Na"	45.978436
"613143"	309.685718	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+2Na"	45.978436
"1115682"	118.554718	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2Na"	45.978436
"1402168"	79.3722373333333	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H+2Na"	46.985712
"1435020"	238.143746	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H+HCOOH"	47.012746
"226903"	219.15324	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+3H2O+2H"	56.04448
"1512775"	252.19579	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+IsoProp+H"	61.06479
"414649"	222.107188	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+Na+K"	61.952376
"775644"	317.672688	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+Na+K"	61.952376
"1670883"	126.541688	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Na+K"	61.952376
"257402"	446.277768	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+ACN+Na"	64.015768
"1232299"	255.146768	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+ACN+Na"	64.015768
"1720092"	255.170293	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+NH4+HCOOH"	64.039293
"1184352"	86.6995513333333	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+3Na"	68.967654
"1655337"	260.125688	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Na+HCOOH"	68.994688
"163291"	459.18104	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+2K-H"	76.91904
"598840"	650.31204	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+2K-H"	76.91904
"1087365"	268.05004	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2K-H"	76.91904
"150749"	230.094158	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"2M+2K"	77.926316
"588121"	325.659658	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"3M+2K"	77.926316
"1079195"	134.528658	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2K"	77.926316
"1110215"	270.064592	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2K+H"	78.933592
"1345505"	270.152207	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+DMSO+H"	79.021207
"1012944"	274.191376	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2ACN+H"	83.060376
"1537264"	275.185008	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+IsoProp+Na+H"	84.054008
"994237"	137.599326	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+2ACN+2H"	84.067652
"1599673"	276.099628	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+K+HCOOH"	84.968628
"1415493"	306.131138	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+H+CF3COOH"	115.000138
"1147241"	158.112601	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+3ACN+2H"	125.094202
"1698981"	323.157685	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+NH4+CF3COOH"	132.026685
"1643021"	328.11308	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+Na+CF3COOH"	136.98208
"1579766"	344.08702	"C10938"	"NN-Diethylphenylacetamide;DEPA"	"C12H17NO"	"191.131"	"M+K+CF3COOH"	152.95602
"815599"	367.1395	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M"	0
"982571"	348.12111	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-H2O-H"	-19.01839
"69719"	243.752390666667	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M-3H"	-3.021828
"518028"	366.132224	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M-3H"	-3.021828
"892550"	121.372557333333	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-3H"	-3.021828
"8940"	366.132224	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M-2H"	-2.014552
"448500"	549.701974	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M-2H"	-2.014552
"820833"	182.562474	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-2H"	-2.014552
"83013"	733.271724	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M-H"	-1.007276
"521481"	1100.411224	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M-H"	-1.007276
"902563"	366.132224	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-H"	-1.007276
"57668"	750.298271	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M-2H+NH4"	16.019271
"497595"	1117.437771	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M-2H+NH4"	16.019271
"875032"	383.158771	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-2H+NH4"	16.019271
"41111"	755.253666	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M-2H+Na"	20.974666
"482859"	1122.393166	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M-2H+Na"	20.974666
"858473"	388.114166	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-2H+Na"	20.974666
"1622537"	388.114166	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Na-2H"	20.974666
"105625"	384.120563	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M-H+Cl"	33.962126
"535707"	567.690313	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M-H+Cl"	33.962126
"927886"	200.550813	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-H+Cl"	33.962126
"267143"	769.248402	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+Cl"	34.969402
"660032"	1136.387902	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+Cl"	34.969402
"1272861"	402.108902	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Cl"	34.969402
"16258"	771.227606	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M-2H+K"	36.948606
"458011"	1138.367106	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M-2H+K"	36.948606
"836906"	404.088106	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-2H+K"	36.948606
"1560393"	404.088106	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+K-2H"	36.948606
"946087"	412.137694	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-H+HCOOH"	44.998194
"366488"	779.277201	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+HCOOH-H"	44.998201
"348546"	793.292851	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+Hac-H"	59.013851
"1495561"	426.153351	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Hac-H"	59.013851
"960186"	434.119651	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-H+NaCOOH"	66.980151
"113467"	402.108902	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+2Cl"	69.938804
"551932"	585.678652	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+2Cl"	69.938804
"1024016"	218.539152	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2Cl"	69.938804
"1241892"	446.058385	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Br"	78.918885
"1308965"	448.114372	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Cl+HCOOH"	80.974872
"1328648"	470.096329	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Cl+NaCOOH"	102.956829
"915335"	480.125086	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M-H+CF3COOH"	112.985586
"1297511"	516.101764	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Cl+CF3COOH"	148.962264
"1369839"	332.126824	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H-2H2O"	-35.012676
"1387701"	350.1368	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H-H2O"	-17.0027
"288484"	735.286276	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+H"	1.007276
"676041"	1102.425776	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+H"	1.007276
"1351901"	368.146776	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H"	1.007276
"126243"	368.146776	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+2H"	2.014552
"565931"	551.716526	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+2H"	2.014552
"1037651"	184.577026	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2H"	2.014552
"219052"	245.766942666667	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+3H"	3.021828
"658002"	368.146776	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+3H"	3.021828
"1177587"	123.387109333333	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+3H"	3.021828
"431743"	752.312823	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+NH4"	18.033823
"800157"	1119.452323	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+NH4"	18.033823
"1696495"	385.173323	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+NH4"	18.033823
"345258"	376.6600495	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+H+NH4"	19.041099
"737685"	560.2297995	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+H+NH4"	19.041099
"1492109"	193.0902995	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H+NH4"	19.041099
"407874"	757.268218	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+Na"	22.989218
"769232"	1124.407718	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+Na"	22.989218
"1617856"	390.128718	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Na"	22.989218
"324685"	379.137747	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+H+Na"	23.996494
"714923"	562.707497	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+H+Na"	23.996494
"1474215"	195.567997	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H+Na"	23.996494
"1061992"	130.714423333333	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2H+Na"	25.00377
"1265858"	400.172986	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+CH3OH+H"	33.033486
"387713"	773.242158	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+K"	38.963158
"747614"	1140.381658	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+K"	38.963158
"1545291"	406.102658	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+K"	38.963158
"306841"	387.124717	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+H+K"	39.970434
"703636"	570.694467	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+H+K"	39.970434
"1457460"	203.554967	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H+K"	39.970434
"247881"	776.312826	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+ACN+H"	42.033826
"1220953"	409.173326	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+ACN+H"	42.033826
"1202648"	205.090301	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+ACN+2H"	43.041102
"194425"	779.25016	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+2Na-H"	44.97116
"637266"	1146.38966	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+2Na-H"	44.97116
"1138586"	412.11066	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2Na-H"	44.97116
"174708"	390.128718	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+2Na"	45.978436
"614875"	573.698468	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+2Na"	45.978436
"1116557"	206.558968	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2Na"	45.978436
"1402278"	138.041737333333	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H+2Na"	46.985712
"1435130"	414.152246	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H+HCOOH"	47.012746
"229200"	395.16174	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+3H2O+2H"	56.04448
"1511429"	428.20429	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+IsoProp+H"	61.06479
"411844"	398.115688	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+Na+K"	61.952376
"776847"	581.685438	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+Na+K"	61.952376
"1669898"	214.545938	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Na+K"	61.952376
"257512"	798.294768	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+ACN+Na"	64.015768
"1230222"	431.155268	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+ACN+Na"	64.015768
"1721295"	431.178793	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+NH4+HCOOH"	64.039293
"1181183"	145.369051333333	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+3Na"	68.967654
"1653261"	436.134188	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Na+HCOOH"	68.994688
"162307"	811.19804	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+2K-H"	76.91904
"601868"	1178.33754	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+2K-H"	76.91904
"1086382"	444.05854	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2K-H"	76.91904
"142230"	406.102658	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"2M+2K"	77.926316
"582762"	589.672408	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"3M+2K"	77.926316
"1078208"	222.532908	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2K"	77.926316
"1107044"	446.073092	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2K+H"	78.933592
"1341240"	446.160707	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+DMSO+H"	79.021207
"1014146"	450.199876	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2ACN+H"	83.060376
"1535551"	451.193508	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+IsoProp+Na+H"	84.054008
"993253"	225.603576	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+2ACN+2H"	84.067652
"1596503"	452.108128	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+K+HCOOH"	84.968628
"1416696"	482.139638	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+H+CF3COOH"	115.000138
"1150264"	246.116851	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+3ACN+2H"	125.094202
"1697752"	499.166185	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+NH4+CF3COOH"	132.026685
"1638756"	504.12158	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+Na+CF3COOH"	136.98208
"1579876"	520.09552	"C10939"	"Flumetover;N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(34-dimethoxyphenyl)benzamide;EMTDB"	"C19H20F3NO3"	"367.1395"	"M+K+CF3COOH"	152.95602
"815347"	338.1994	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M"	0
"985963"	319.18101	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-H2O-H"	-19.01839
"74209"	224.458990666667	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M-3H"	-3.021828
"513766"	337.192124	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M-3H"	-3.021828
"890475"	111.725857333333	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-3H"	-3.021828
"9052"	337.192124	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M-2H"	-2.014552
"449706"	506.291824	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M-2H"	-2.014552
"820945"	168.092424	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-2H"	-2.014552
"86406"	675.391524	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M-H"	-1.007276
"523780"	1013.590924	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M-H"	-1.007276
"903769"	337.192124	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-H"	-1.007276
"55958"	692.418071	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M-2H+NH4"	16.019271
"492240"	1030.617471	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M-2H+NH4"	16.019271
"865060"	354.218671	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-2H+NH4"	16.019271
"34662"	697.373466	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M-2H+Na"	20.974666
"482969"	1035.572866	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M-2H+Na"	20.974666
"857489"	359.174066	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-2H+Na"	20.974666
"1629207"	359.174066	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Na-2H"	20.974666
"94794"	355.180463	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M-H+Cl"	33.962126
"535205"	524.280163	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M-H+Cl"	33.962126
"927509"	186.080763	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-H+Cl"	33.962126
"268991"	711.368202	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+Cl"	34.969402
"662874"	1049.567602	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+Cl"	34.969402
"1276005"	373.168802	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Cl"	34.969402
"17831"	713.347406	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M-2H+K"	36.948606
"459214"	1051.546806	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M-2H+K"	36.948606
"836651"	375.148006	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-2H+K"	36.948606
"1559411"	375.148006	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+K-2H"	36.948606
"946563"	383.197594	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-H+HCOOH"	44.998194
"364412"	721.397001	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+HCOOH-H"	44.998201
"350119"	735.412651	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+Hac-H"	59.013851
"1494938"	397.213251	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Hac-H"	59.013851
"965402"	405.179551	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-H+NaCOOH"	66.980151
"111026"	373.168802	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+2Cl"	69.938804
"557881"	542.268502	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+2Cl"	69.938804
"1026682"	204.069102	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2Cl"	69.938804
"1244444"	417.118285	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Br"	78.918885
"1309442"	419.174272	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Cl+HCOOH"	80.974872
"1323297"	441.156229	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Cl+NaCOOH"	102.956829
"917634"	451.184986	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M-H+CF3COOH"	112.985586
"1295436"	487.161664	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Cl+CF3COOH"	148.962264
"1374689"	303.186724	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H-2H2O"	-35.012676
"1387811"	321.1967	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H-H2O"	-17.0027
"286406"	677.406076	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+H"	1.007276
"677730"	1015.605476	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+H"	1.007276
"1351892"	339.206676	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H"	1.007276
"132445"	339.206676	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+2H"	2.014552
"580393"	508.306376	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+2H"	2.014552
"1052481"	170.106976	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2H"	2.014552
"217459"	226.473542666667	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+3H"	3.021828
"658729"	339.206676	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+3H"	3.021828
"1177950"	113.740409333333	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+3H"	3.021828
"439725"	694.432623	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+NH4"	18.033823
"801255"	1032.632023	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+NH4"	18.033823
"1696118"	356.233223	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+NH4"	18.033823
"344027"	347.7199495	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+H+NH4"	19.041099
"738114"	516.8196495	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+H+NH4"	19.041099
"1491732"	178.6202495	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H+NH4"	19.041099
"401294"	699.388018	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+Na"	22.989218
"763379"	1037.587418	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+Na"	22.989218
"1610386"	361.188618	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Na"	22.989218
"326631"	350.197647	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+H+Na"	23.996494
"720146"	519.297347	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+H+Na"	23.996494
"1475059"	181.097947	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H+Na"	23.996494
"1057731"	121.067723333333	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2H+Na"	25.00377
"1263782"	371.232886	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+CH3OH+H"	33.033486
"383448"	715.361958	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+K"	38.963158
"745536"	1053.561358	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+K"	38.963158
"1546496"	377.162558	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+K"	38.963158
"304767"	358.184617	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+H+K"	39.970434
"697189"	527.284317	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+H+K"	39.970434
"1456110"	189.084917	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H+K"	39.970434
"238517"	718.432626	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+ACN+H"	42.033826
"1211226"	380.233226	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+ACN+H"	42.033826
"1195473"	190.620251	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+ACN+2H"	43.041102
"189192"	721.36996	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+2Na-H"	44.97116
"630093"	1059.56936	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+2Na-H"	44.97116
"1132382"	383.17056	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2Na-H"	44.97116
"173601"	361.188618	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+2Na"	45.978436
"614497"	530.288318	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+2Na"	45.978436
"1116916"	192.088918	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2Na"	45.978436
"1412723"	128.395037333333	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H+2Na"	46.985712
"1437428"	385.212146	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H+HCOOH"	47.012746
"222382"	366.22164	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+3H2O+2H"	56.04448
"1510809"	399.26419	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+IsoProp+H"	61.06479
"421434"	369.175588	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+Na+K"	61.952376
"775869"	538.275288	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+Na+K"	61.952376
"1676574"	200.075888	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Na+K"	61.952376
"258356"	740.414568	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+ACN+Na"	64.015768
"1232887"	402.215168	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+ACN+Na"	64.015768
"1716305"	402.238693	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+NH4+HCOOH"	64.039293
"1188948"	135.722351333333	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+3Na"	68.967654
"1652645"	407.194088	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Na+HCOOH"	68.994688
"161328"	753.31784	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+2K-H"	76.91904
"605263"	1091.51724	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+2K-H"	76.91904
"1093056"	415.11844	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2K-H"	76.91904
"144406"	377.162558	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"2M+2K"	77.926316
"588346"	546.262258	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"3M+2K"	77.926316
"1075043"	208.062858	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2K"	77.926316
"1107159"	417.132992	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2K+H"	78.933592
"1336982"	417.220607	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+DMSO+H"	79.021207
"1005664"	421.259776	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2ACN+H"	83.060376
"1525098"	422.253408	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+IsoProp+Na+H"	84.054008
"994462"	211.133526	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+2ACN+2H"	84.067652
"1590059"	423.168028	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+K+HCOOH"	84.968628
"1420093"	453.199538	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+H+CF3COOH"	115.000138
"1159130"	231.646801	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+3ACN+2H"	125.094202
"1698474"	470.226085	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+NH4+CF3COOH"	132.026685
"1638866"	475.18148	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+Na+CF3COOH"	136.98208
"1579986"	491.15542	"C10940"	"Epicainide"	"C21H26N2O2"	"338.1994"	"M+K+CF3COOH"	152.95602
"801723"	301.1314	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M"	0
"980603"	282.11301	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"63739"	199.746990666667	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"513873"	300.124124	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"888396"	99.3698573333333	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"8067"	300.124124	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"446533"	450.689824	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"821053"	149.558424	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"79097"	601.255524	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"519635"	902.386924	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"896462"	300.124124	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"56066"	618.282071	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"492346"	919.413471	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"870148"	317.150671	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"34769"	623.237466	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"478702"	924.368866	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"851037"	322.106066	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1620571"	322.106066	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"95391"	318.112463	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"535073"	468.678163	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"927620"	167.546763	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"268739"	637.232202	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"667723"	938.363602	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1275385"	336.100802	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"18669"	639.211406	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"460053"	940.342806	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"836396"	338.080006	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1560251"	338.080006	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"945579"	346.129594	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"363792"	647.261001	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"350229"	661.276651	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1495411"	360.145251	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"965512"	368.111551	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"111136"	336.100802	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"553252"	486.666502	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1026064"	185.535102	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1242488"	380.050285	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1305906"	382.106272	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1327781"	404.088229	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"915557"	414.116986	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1293359"	450.093664	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1374799"	266.118724	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1391202"	284.1287	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"286515"	603.270076	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"676746"	904.401476	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1352731"	302.138676	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"132556"	302.138676	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"580745"	452.704376	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1050758"	151.572976	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"216477"	201.761542666667	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"658225"	302.138676	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1178339"	101.384409333333	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"439920"	620.296623	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"800618"	921.428023	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1696104"	319.165223	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"344138"	310.6519495	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"737657"	461.2176495	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1491476"	160.0862495	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"401404"	625.252018	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"761303"	926.383418	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1611590"	324.120618	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"327713"	313.129647	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"720379"	463.695347	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1474805"	162.563947	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1060026"	108.711723333333	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1264986"	334.164886	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"383561"	641.225958	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"744553"	942.357358	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1543328"	340.094558	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"303783"	321.116617	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"700579"	471.682317	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1456584"	170.550917	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"245186"	644.296626	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1213522"	343.165226	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1197405"	172.086251	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"190277"	647.23396	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"629716"	948.36536	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1136262"	346.10256	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"175905"	324.120618	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"614001"	474.686318	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1117268"	173.554918	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1412712"	116.039037333333	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1438632"	348.144146	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"223953"	329.15364	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1512012"	362.19619	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"418264"	332.107588	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"777072"	482.673288	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1676684"	181.541888	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"258832"	666.278568	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1235913"	365.147168	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1718966"	365.170693	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1186871"	123.366351333333	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1656764"	370.126088	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"160344"	679.18184	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"605374"	980.31324	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1093166"	378.05044	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"144881"	340.094558	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"588455"	490.660258	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1078433"	189.528858	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1107269"	380.064992	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1339279"	380.152607	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1006105"	384.191776	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1528124"	385.185408	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"994572"	192.599526	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1590169"	386.100028	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1420203"	416.131538	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1159240"	213.112801	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1698584"	433.158085	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1638976"	438.11348	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1580096"	454.08742	"C10941"	"Furalaxyl"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"802926"	338.0822	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M"	0
"980713"	319.06381	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-H2O-H"	-19.01839
"65669"	224.380857333333	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M-3H"	-3.021828
"510703"	337.074924	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M-3H"	-3.021828
"885226"	111.686790666667	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-3H"	-3.021828
"10364"	337.074924	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M-2H"	-2.014552
"446643"	506.116024	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M-2H"	-2.014552
"820072"	168.033824	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-2H"	-2.014552
"79816"	675.157124	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M-H"	-1.007276
"521812"	1013.239324	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M-H"	-1.007276
"901801"	337.074924	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-H"	-1.007276
"55083"	692.183671	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M-2H+NH4"	16.019271
"496831"	1030.265871	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M-2H+NH4"	16.019271
"868073"	354.101471	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-2H+NH4"	16.019271
"34880"	697.139066	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M-2H+Na"	20.974666
"474439"	1035.221266	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M-2H+Na"	20.974666
"853334"	359.056866	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-2H+Na"	20.974666
"1619219"	359.056866	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Na-2H"	20.974666
"94774"	355.063263	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M-H+Cl"	33.962126
"534819"	524.104363	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M-H+Cl"	33.962126
"927441"	186.022163	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-H+Cl"	33.962126
"269941"	711.133802	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+Cl"	34.969402
"664551"	1049.216002	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+Cl"	34.969402
"1275494"	373.051602	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Cl"	34.969402
"17077"	713.113006	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M-2H+K"	36.948606
"456758"	1051.195206	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M-2H+K"	36.948606
"834318"	375.030806	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-2H+K"	36.948606
"1562547"	375.030806	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+K-2H"	36.948606
"945689"	383.080394	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-H+HCOOH"	44.998194
"363900"	721.162601	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+HCOOH-H"	44.998201
"348511"	735.178251	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+Hac-H"	59.013851
"1494427"	397.096051	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Hac-H"	59.013851
"960514"	405.062351	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-H+NaCOOH"	66.980151
"110880"	373.051602	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+2Cl"	69.938804
"552998"	542.092702	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+2Cl"	69.938804
"1025808"	204.010502	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2Cl"	69.938804
"1243569"	417.001085	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Br"	78.918885
"1305893"	419.057072	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Cl+HCOOH"	80.974872
"1333359"	441.039029	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Cl+NaCOOH"	102.956829
"917854"	451.067786	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M-H+CF3COOH"	112.985586
"1295657"	487.044464	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Cl+CF3COOH"	148.962264
"1378190"	303.069524	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H-2H2O"	-35.012676
"1394593"	321.0795	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H-H2O"	-17.0027
"286625"	677.171676	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+H"	1.007276
"680138"	1015.253876	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+H"	1.007276
"1351659"	339.089476	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H"	1.007276
"132666"	339.089476	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+2H"	2.014552
"580491"	508.130576	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+2H"	2.014552
"1050868"	170.048376	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2H"	2.014552
"216587"	226.395409333333	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+3H"	3.021828
"657241"	339.089476	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+3H"	3.021828
"1177193"	113.701342666667	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+3H"	3.021828
"439898"	694.198223	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+NH4"	18.033823
"800730"	1032.280423	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+NH4"	18.033823
"1695729"	356.116023	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+NH4"	18.033823
"343156"	347.6027495	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+H+NH4"	19.041099
"737402"	516.6438495	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+H+NH4"	19.041099
"1490493"	178.5616495	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H+NH4"	19.041099
"400421"	699.153618	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+Na"	22.989218
"764693"	1037.235818	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+Na"	22.989218
"1610606"	361.071418	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Na"	22.989218
"328675"	350.080447	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+H+Na"	23.996494
"720731"	519.121547	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+H+Na"	23.996494
"1475645"	181.039347	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H+Na"	23.996494
"1060137"	121.028656666667	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2H+Na"	25.00377
"1266189"	371.115686	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+CH3OH+H"	33.033486
"386949"	715.127558	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+K"	38.963158
"746851"	1053.209758	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+K"	38.963158
"1546717"	377.045358	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+K"	38.963158
"306080"	358.067417	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+H+K"	39.970434
"699595"	527.108517	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+H+K"	39.970434
"1454507"	189.026317	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H+K"	39.970434
"243110"	718.198226	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+ACN+H"	42.033826
"1215817"	380.116026	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+ACN+H"	42.033826
"1199700"	190.561651	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+ACN+2H"	43.041102
"193664"	721.13556	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+2Na-H"	44.97116
"629825"	1059.21776	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+2Na-H"	44.97116
"1135644"	383.05336	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2Na-H"	44.97116
"176743"	361.071418	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+2Na"	45.978436
"614475"	530.112518	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+2Na"	45.978436
"1117257"	192.030318	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2Na"	45.978436
"1406624"	128.355970666667	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H+2Na"	46.985712
"1438742"	385.094946	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H+HCOOH"	47.012746
"221875"	366.10444	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+3H2O+2H"	56.04448
"1509688"	399.14699	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+IsoProp+H"	61.06479
"421654"	369.058388	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+Na+K"	61.952376
"778276"	538.099488	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+Na+K"	61.952376
"1676794"	200.017288	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Na+K"	61.952376
"257849"	740.180168	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+ACN+Na"	64.015768
"1233107"	402.097968	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+ACN+Na"	64.015768
"1718712"	402.121493	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+NH4+HCOOH"	64.039293
"1186981"	135.683284666667	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+3Na"	68.967654
"1656873"	407.076888	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Na+HCOOH"	68.994688
"158996"	753.08344	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+2K-H"	76.91904
"605484"	1091.16564	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+2K-H"	76.91904
"1089996"	415.00124	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2K-H"	76.91904
"144627"	377.045358	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"2M+2K"	77.926316
"588564"	546.086458	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"3M+2K"	77.926316
"1077450"	208.004258	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2K"	77.926316
"1104098"	417.015792	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2K+H"	78.933592
"1340482"	417.103407	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+DMSO+H"	79.021207
"1006700"	421.142576	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2ACN+H"	83.060376
"1528234"	422.136208	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+IsoProp+Na+H"	84.054008
"990422"	211.074926	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+2ACN+2H"	84.067652
"1589186"	423.050828	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+K+HCOOH"	84.968628
"1420313"	453.082338	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+H+CF3COOH"	115.000138
"1158257"	231.588201	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+3ACN+2H"	125.094202
"1699059"	470.108885	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+NH4+CF3COOH"	132.026685
"1639086"	475.06428	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+Na+CF3COOH"	136.98208
"1580206"	491.03822	"C10942"	"Inabenfide"	"C19H15ClN2O2"	"338.0822"	"M+K+CF3COOH"	152.95602
"802550"	414.0401	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M"	0
"975353"	395.02171	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-H2O-H"	-19.01839
"64687"	275.019457333333	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M-3H"	-3.021828
"510813"	413.032824	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M-3H"	-3.021828
"885336"	137.006090666667	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-3H"	-3.021828
"6102"	413.032824	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M-2H"	-2.014552
"445660"	620.052874	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M-2H"	-2.014552
"817304"	206.012774	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-2H"	-2.014552
"79198"	827.072924	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M-H"	-1.007276
"521193"	1241.113024	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M-H"	-1.007276
"901911"	413.032824	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-H"	-1.007276
"54099"	844.099471	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M-2H+NH4"	16.019271
"491473"	1258.139571	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M-2H+NH4"	16.019271
"870369"	430.059371	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-2H+NH4"	16.019271
"34987"	849.054866	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M-2H+Na"	20.974666
"475642"	1263.094966	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M-2H+Na"	20.974666
"852350"	435.014766	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-2H+Na"	20.974666
"1619088"	435.014766	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Na-2H"	20.974666
"95493"	431.021163	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M-H+Cl"	33.962126
"534480"	638.041213	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M-H+Cl"	33.962126
"927266"	224.001113	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-H+Cl"	33.962126
"269321"	863.049602	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+Cl"	34.969402
"661256"	1277.089702	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+Cl"	34.969402
"1275604"	449.009502	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Cl"	34.969402
"15941"	865.028806	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M-2H+K"	36.948606
"455830"	1279.068906	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M-2H+K"	36.948606
"833699"	450.988706	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-2H+K"	36.948606
"1562657"	450.988706	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+K-2H"	36.948606
"945069"	459.038294	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-H+HCOOH"	44.998194
"361497"	873.078401	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+HCOOH-H"	44.998201
"347164"	887.094051	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+Hac-H"	59.013851
"1493081"	473.053951	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Hac-H"	59.013851
"958843"	481.020251	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-H+NaCOOH"	66.980151
"110627"	449.009502	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+2Cl"	69.938804
"553107"	656.029552	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+2Cl"	69.938804
"1024824"	241.989452	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2Cl"	69.938804
"1242587"	492.958985	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Br"	78.918885
"1304669"	495.014972	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Cl+HCOOH"	80.974872
"1333469"	516.996929	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Cl+NaCOOH"	102.956829
"917964"	527.025686	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M-H+CF3COOH"	112.985586
"1295767"	563.002364	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Cl+CF3COOH"	148.962264
"1378300"	379.027424	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H-2H2O"	-35.012676
"1394703"	397.0374	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H-H2O"	-17.0027
"286735"	829.087476	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+H"	1.007276
"679155"	1243.127576	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+H"	1.007276
"1351402"	415.047376	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H"	1.007276
"125731"	415.047376	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+2H"	2.014552
"573428"	622.067426	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+2H"	2.014552
"1046600"	208.027326	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2H"	2.014552
"214509"	277.034009333333	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+3H"	3.021828
"659295"	415.047376	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+3H"	3.021828
"1177788"	139.020642666667	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+3H"	3.021828
"439727"	846.114023	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+NH4"	18.033823
"800962"	1260.154123	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+NH4"	18.033823
"1694985"	432.073923	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+NH4"	18.033823
"342171"	423.5606495	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+H+NH4"	19.041099
"737511"	630.5806995	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+H+NH4"	19.041099
"1491330"	216.5405995	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H+NH4"	19.041099
"398345"	851.069418	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+Na"	22.989218
"761523"	1265.109518	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+Na"	22.989218
"1611808"	437.029318	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Na"	22.989218
"328786"	426.038347	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+H+Na"	23.996494
"717561"	633.058397	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+H+Na"	23.996494
"1473932"	219.018297	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H+Na"	23.996494
"1061343"	146.347956666667	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2H+Na"	25.00377
"1267394"	447.073586	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+CH3OH+H"	33.033486
"389249"	867.043358	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+K"	38.963158
"745870"	1281.083458	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+K"	38.963158
"1544643"	453.003258	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+K"	38.963158
"305096"	434.025317	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+H+K"	39.970434
"699704"	641.045367	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+H+K"	39.970434
"1453524"	227.005267	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H+K"	39.970434
"241033"	870.114026	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+ACN+H"	42.033826
"1213741"	456.073926	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+ACN+H"	42.033826
"1198717"	228.540601	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+ACN+2H"	43.041102
"190493"	873.05136	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+2Na-H"	44.97116
"630055"	1287.09146	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+2Na-H"	44.97116
"1132591"	459.01126	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2Na-H"	44.97116
"173572"	437.029318	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+2Na"	45.978436
"614223"	644.049368	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+2Na"	45.978436
"1117366"	230.009268	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2Na"	45.978436
"1406369"	153.675270666667	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H+2Na"	46.985712
"1444320"	461.052846	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H+HCOOH"	47.012746
"234018"	442.06234	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+3H2O+2H"	56.04448
"1518797"	475.10489	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+IsoProp+H"	61.06479
"420671"	445.016288	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+Na+K"	61.952376
"781667"	652.036338	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+Na+K"	61.952376
"1679094"	237.996238	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Na+K"	61.952376
"262334"	892.095968	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+ACN+Na"	64.015768
"1235039"	478.055868	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+ACN+Na"	64.015768
"1723929"	478.079393	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+NH4+HCOOH"	64.039293
"1184906"	161.002584666667	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+3Na"	68.967654
"1655161"	483.034788	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Na+HCOOH"	68.994688
"159835"	904.99924	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+2K-H"	76.91904
"605594"	1319.03934	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+2K-H"	76.91904
"1090106"	490.95914	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2K-H"	76.91904
"145830"	453.003258	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"2M+2K"	77.926316
"583203"	660.023308	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"3M+2K"	77.926316
"1077560"	245.983208	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2K"	77.926316
"1104208"	492.973692	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2K+H"	78.933592
"1338403"	493.061307	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+DMSO+H"	79.021207
"1006447"	497.100476	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2ACN+H"	83.060376
"1528344"	498.094108	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+IsoProp+Na+H"	84.054008
"991022"	249.053876	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+2ACN+2H"	84.067652
"1590389"	499.008728	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+K+HCOOH"	84.968628
"1420423"	529.040238	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+H+CF3COOH"	115.000138
"1158367"	269.567151	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+3ACN+2H"	125.094202
"1699169"	546.066785	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+NH4+CF3COOH"	132.026685
"1639196"	551.02218	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+Na+CF3COOH"	136.98208
"1580316"	566.99612	"C10943"	"Chlorimuron-ethyl;Chlorimuron ethyl"	"C15H15ClN4O6S"	"414.0401"	"M+K+CF3COOH"	152.95602
"801932"	243.1623	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M"	0
"974256"	224.14391	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-H2O-H"	-19.01839
"64069"	161.100924	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M-3H"	-3.021828
"503751"	242.155024	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M-3H"	-3.021828
"885445"	80.046824	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-3H"	-3.021828
"5119"	242.155024	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M-2H"	-2.014552
"444677"	363.736174	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M-2H"	-2.014552
"817192"	120.573874	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-2H"	-2.014552
"79063"	485.317324	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M-H"	-1.007276
"520939"	728.479624	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M-H"	-1.007276
"898740"	242.155024	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-H"	-1.007276
"53116"	502.343871	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M-2H+NH4"	16.019271
"492676"	745.506171	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M-2H+NH4"	16.019271
"868291"	259.181571	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-2H+NH4"	16.019271
"32422"	507.299266	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M-2H+Na"	20.974666
"474659"	750.461566	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M-2H+Na"	20.974666
"852460"	264.136966	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-2H+Na"	20.974666
"1618788"	264.136966	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Na-2H"	20.974666
"94507"	260.143363	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M-H+Cl"	33.962126
"534280"	381.724513	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M-H+Cl"	33.962126
"927112"	138.562213	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-H+Cl"	33.962126
"268094"	521.294002	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+Cl"	34.969402
"661000"	764.456302	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+Cl"	34.969402
"1273647"	278.131702	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Cl"	34.969402
"16401"	523.273206	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M-2H+K"	36.948606
"455701"	766.435506	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M-2H+K"	36.948606
"833681"	280.110906	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-2H+K"	36.948606
"1558391"	280.110906	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+K-2H"	36.948606
"943032"	288.160494	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-H+HCOOH"	44.998194
"361454"	531.322801	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+HCOOH-H"	44.998201
"346178"	545.338451	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+Hac-H"	59.013851
"1493227"	302.176151	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Hac-H"	59.013851
"959276"	310.142451	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-H+NaCOOH"	66.980151
"110855"	278.131702	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+2Cl"	69.938804
"550000"	399.712852	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+2Cl"	69.938804
"1022135"	156.550552	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2Cl"	69.938804
"1243425"	322.081185	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Br"	78.918885
"1304454"	324.137172	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Cl+HCOOH"	80.974872
"1333579"	346.119129	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Cl+NaCOOH"	102.956829
"918074"	356.147886	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M-H+CF3COOH"	112.985586
"1295877"	392.124564	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Cl+CF3COOH"	148.962264
"1378410"	208.149624	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H-2H2O"	-35.012676
"1394813"	226.1596	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H-H2O"	-17.0027
"287938"	487.331876	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+H"	1.007276
"679265"	730.494176	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+H"	1.007276
"1351718"	244.169576	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H"	1.007276
"126104"	244.169576	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+2H"	2.014552
"565897"	365.750726	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+2H"	2.014552
"1043430"	122.588426	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2H"	2.014552
"216801"	163.115476	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+3H"	3.021828
"655273"	244.169576	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+3H"	3.021828
"1177533"	82.061376	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+3H"	3.021828
"438984"	504.358423	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+NH4"	18.033823
"800948"	747.520723	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+NH4"	18.033823
"1694731"	261.196123	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+NH4"	18.033823
"342281"	252.6828495	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+H+NH4"	19.041099
"734706"	374.2639995	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+H+NH4"	19.041099
"1485243"	131.1016995	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H+NH4"	19.041099
"397360"	509.313818	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+Na"	22.989218
"761632"	752.476118	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+Na"	22.989218
"1606451"	266.151518	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Na"	22.989218
"326706"	255.160547	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+H+Na"	23.996494
"716578"	376.741697	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+H+Na"	23.996494
"1474043"	133.579397	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H+Na"	23.996494
"1057079"	89.38869	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2H+Na"	25.00377
"1265317"	276.195786	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+CH3OH+H"	33.033486
"384985"	525.287758	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+K"	38.963158
"742700"	768.450058	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+K"	38.963158
"1543658"	282.125458	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+K"	38.963158
"304112"	263.147517	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+H+K"	39.970434
"694346"	384.728667	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+H+K"	39.970434
"1448166"	141.566367	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H+K"	39.970434
"236402"	528.358426	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+ACN+H"	42.033826
"1210035"	285.196126	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+ACN+H"	42.033826
"1195058"	143.101701	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+ACN+2H"	43.041102
"188857"	531.29576	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+2Na-H"	44.97116
"628656"	774.45806	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+2Na-H"	44.97116
"1132576"	288.13346	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2Na-H"	44.97116
"173545"	266.151518	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+2Na"	45.978436
"613238"	387.732668	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+2Na"	45.978436
"1115673"	144.570368	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2Na"	45.978436
"1406844"	96.716004	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H+2Na"	46.985712
"1438962"	290.175046	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H+HCOOH"	47.012746
"230846"	271.18454	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+3H2O+2H"	56.04448
"1510887"	304.22709	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+IsoProp+H"	61.06479
"418595"	274.138488	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+Na+K"	61.952376
"777405"	395.719638	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+Na+K"	61.952376
"1678111"	152.557338	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Na+K"	61.952376
"261350"	550.340368	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+ACN+Na"	64.015768
"1236242"	307.178068	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+ACN+Na"	64.015768
"1722581"	307.201593	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+NH4+HCOOH"	64.039293
"1184287"	104.043318	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+3Na"	68.967654
"1654178"	312.156988	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Na+HCOOH"	68.994688
"159581"	563.24364	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+2K-H"	76.91904
"605704"	806.40594	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+2K-H"	76.91904
"1090216"	320.08134	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2K-H"	76.91904
"144847"	282.125458	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"2M+2K"	77.926316
"582341"	403.706608	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"3M+2K"	77.926316
"1076577"	160.544308	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2K"	77.926316
"1104318"	322.095892	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2K+H"	78.933592
"1336569"	322.183507	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+DMSO+H"	79.021207
"1005949"	326.222676	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2ACN+H"	83.060376
"1527361"	327.216308	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+IsoProp+Na+H"	84.054008
"990158"	163.614976	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+2ACN+2H"	84.067652
"1589406"	328.130928	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+K+HCOOH"	84.968628
"1420533"	358.162438	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+H+CF3COOH"	115.000138
"1159570"	184.128251	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+3ACN+2H"	125.094202
"1698914"	375.188985	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+NH4+CF3COOH"	132.026685
"1639306"	380.14438	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+Na+CF3COOH"	136.98208
"1580426"	396.11832	"C10944"	"Isobutylphendienamide"	"C16H21NO"	"243.1623"	"M+K+CF3COOH"	152.95602
"803499"	164.0473	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M"	0
"975328"	145.02891	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"67096"	108.357590666667	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"504468"	163.040024	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"887741"	53.6751573333333	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"6322"	163.040024	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"444787"	245.063674	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"817243"	81.016374	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"79300"	327.087324	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"519956"	491.134624	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"896905"	163.040024	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"53226"	344.113871	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"492786"	508.161171	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"868401"	180.066571	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"34114"	349.069266	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"474770"	513.116566	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"854757"	185.021966	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1618736"	185.021966	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"94981"	181.028363	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"534418"	263.052013	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"927602"	99.004713	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"269904"	363.064002	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"661595"	527.111302	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1274363"	199.016702	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"16433"	365.043206	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"456152"	529.090506	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"833549"	200.995906	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1555861"	200.995906	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"943464"	209.045494	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"361799"	373.092801	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"346532"	387.108451	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1492930"	223.061151	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"959747"	231.027451	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"110165"	199.016702	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"549971"	281.040352	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1021551"	116.993052	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1244264"	242.966185	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1305250"	245.022172	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1333689"	267.004129	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"918184"	277.032886	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1295987"	313.009564	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1378520"	129.034624	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1394923"	147.0446	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"285861"	329.101876	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"679010"	493.149176	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1351395"	165.054576	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"126413"	165.054576	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"565684"	247.078226	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1037445"	83.030926	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"214724"	110.372142666667	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"649916"	165.054576	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1176790"	55.6897093333333	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"439211"	346.128423	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"800940"	510.175723	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1694468"	182.081123	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"342391"	173.5678495	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"734816"	255.5914995	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1485353"	91.5441995	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"399656"	351.083818	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"757369"	515.131118	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1606559"	187.036518	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"327544"	176.045547	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"718146"	258.069197	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1473783"	94.021897	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1056095"	63.0170233333333	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1261051"	197.080786	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"378894"	367.057758	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"741715"	531.105058	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1541580"	203.010458	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"298790"	184.032517	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"694455"	266.056167	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1447182"	102.008867	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"235912"	370.128426	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1210187"	206.081126	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1194922"	103.544201	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"189249"	373.06576	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"628969"	537.11306	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1131829"	209.01846	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"174506"	187.036518	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"613180"	269.060168	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1115915"	105.012868	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1405860"	70.3443373333333	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1439072"	211.060046	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"231321"	192.06954	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1510633"	225.11209	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"414331"	195.023488	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"775328"	277.047138	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1672753"	112.999838	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"257086"	392.110368	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1231979"	228.063068	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1718682"	228.086593	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1183304"	77.6716513333333	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1651372"	233.041988	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"158716"	405.01364	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"603628"	569.06094	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1085586"	240.96634	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"144957"	203.010458	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"582330"	285.034108	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1072312"	120.986808	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1099942"	242.980892	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1335862"	243.068507	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1005820"	247.107676	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1525405"	248.101308	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"990877"	124.057476	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1589516"	249.015928	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1420643"	279.047438	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1156400"	144.570751	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1698660"	296.073985	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1636136"	301.02938	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1580536"	317.00332	"C10945"	"Caffeic aldehyde;34-Dihydroxycinnamaldehyde;Caffeyl aldehyde"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"804338"	381.0743	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M"	0
"980058"	362.05591	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-H2O-H"	-19.01839
"70488"	253.042257333333	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M-3H"	-3.021828
"510048"	380.067024	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M-3H"	-3.021828
"888946"	126.017490666667	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-3H"	-3.021828
"9712"	380.067024	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M-2H"	-2.014552
"444898"	570.604174	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M-2H"	-2.014552
"818328"	189.529874	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-2H"	-2.014552
"89254"	761.141324	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M-H"	-1.007276
"529910"	1142.215624	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M-H"	-1.007276
"904433"	380.067024	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-H"	-1.007276
"57716"	778.167871	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M-2H+NH4"	16.019271
"497273"	1159.242171	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M-2H+NH4"	16.019271
"875075"	397.093571	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-2H+NH4"	16.019271
"40788"	783.123266	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M-2H+Na"	20.974666
"482536"	1164.197566	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M-2H+Na"	20.974666
"860336"	402.048966	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-2H+Na"	20.974666
"1624401"	402.048966	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Na-2H"	20.974666
"98741"	398.055363	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M-H+Cl"	33.962126
"538303"	588.592513	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M-H+Cl"	33.962126
"928538"	207.518213	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-H+Cl"	33.962126
"269650"	797.118002	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+Cl"	34.969402
"662070"	1178.192302	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+Cl"	34.969402
"1274109"	416.043702	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Cl"	34.969402
"17027"	799.097206	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M-2H+K"	36.948606
"456466"	1180.171506	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M-2H+K"	36.948606
"834028"	418.022906	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-2H+K"	36.948606
"1557882"	418.022906	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+K-2H"	36.948606
"945399"	426.072494	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-H+HCOOH"	44.998194
"363251"	807.146801	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+HCOOH-H"	44.998201
"347863"	821.162451	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+Hac-H"	59.013851
"1495600"	440.088151	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Hac-H"	59.013851
"961322"	448.054451	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-H+NaCOOH"	66.980151
"111686"	416.043702	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+2Cl"	69.938804
"551246"	606.580852	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+2Cl"	69.938804
"1023330"	225.506552	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2Cl"	69.938804
"1246198"	459.993185	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Br"	78.918885
"1307548"	462.049172	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Cl+HCOOH"	80.974872
"1334408"	484.031129	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Cl+NaCOOH"	102.956829
"921575"	494.059886	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M-H+CF3COOH"	112.985586
"1299378"	530.036564	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Cl+CF3COOH"	148.962264
"1375352"	346.061624	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H-2H2O"	-35.012676
"1390662"	364.0716	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H-H2O"	-17.0027
"290348"	763.155876	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+H"	1.007276
"681674"	1144.230176	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+H"	1.007276
"1358022"	382.081576	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H"	1.007276
"126290"	382.081576	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+2H"	2.014552
"565704"	572.618726	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+2H"	2.014552
"1037563"	191.544426	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2H"	2.014552
"204285"	255.056809333333	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+3H"	3.021828
"644260"	382.081576	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+3H"	3.021828
"1175809"	128.032042666667	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+3H"	3.021828
"437622"	780.182423	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+NH4"	18.033823
"801009"	1161.256723	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+NH4"	18.033823
"1695307"	399.108123	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+NH4"	18.033823
"342501"	390.5948495	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+H+NH4"	19.041099
"734926"	581.1319995	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+H+NH4"	19.041099
"1486556"	200.0576995	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H+NH4"	19.041099
"400860"	785.137818	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+Na"	22.989218
"762945"	1166.212118	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+Na"	22.989218
"1612136"	404.063518	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Na"	22.989218
"325454"	393.072547	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+H+Na"	23.996494
"717889"	583.609697	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+H+Na"	23.996494
"1472799"	202.535397	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H+Na"	23.996494
"1055112"	135.359356666667	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2H+Na"	25.00377
"1260068"	414.107786	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+CH3OH+H"	33.033486
"378518"	801.111758	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+K"	38.963158
"741825"	1182.186058	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+K"	38.963158
"1543875"	420.037458	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+K"	38.963158
"303236"	401.059517	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+H+K"	39.970434
"698937"	591.596667	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+H+K"	39.970434
"1449479"	210.522367	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H+K"	39.970434
"236498"	804.182426	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+ACN+H"	42.033826
"1210664"	423.108126	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+ACN+H"	42.033826
"1194792"	212.057701	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+ACN+2H"	43.041102
"189485"	807.11976	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+2Na-H"	44.97116
"628716"	1188.19406	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+2Na-H"	44.97116
"1131505"	426.04546	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2Na-H"	44.97116
"172898"	404.063518	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+2Na"	45.978436
"613456"	594.600668	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+2Na"	45.978436
"1116024"	213.526368	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2Na"	45.978436
"1405970"	142.686670666667	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H+2Na"	46.985712
"1439182"	428.087046	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H+HCOOH"	47.012746
"230339"	409.09654	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+3H2O+2H"	56.04448
"1518764"	442.13909	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+IsoProp+H"	61.06479
"417358"	412.050488	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+Na+K"	61.952376
"777624"	602.587638	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+Na+K"	61.952376
"1670675"	221.513338	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Na+K"	61.952376
"255008"	826.164368	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+ACN+Na"	64.015768
"1233182"	445.090068	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+ACN+Na"	64.015768
"1713807"	445.113593	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+NH4+HCOOH"	64.039293
"1185236"	150.013984666667	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+3Na"	68.967654
"1651601"	450.068988	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Na+HCOOH"	68.994688
"159800"	839.06764	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+2K-H"	76.91904
"602639"	1220.14194	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+2K-H"	76.91904
"1086421"	457.99334	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2K-H"	76.91904
"143965"	420.037458	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"2M+2K"	77.926316
"583892"	610.574608	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"3M+2K"	77.926316
"1070353"	229.500308	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2K"	77.926316
"1101008"	460.007892	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2K+H"	78.933592
"1337637"	460.095507	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+DMSO+H"	79.021207
"1006163"	464.134676	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2ACN+H"	83.060376
"1524289"	465.128308	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+IsoProp+Na+H"	84.054008
"990252"	232.570976	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+2ACN+2H"	84.067652
"1591812"	466.042928	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+K+HCOOH"	84.968628
"1415648"	496.074438	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+H+CF3COOH"	115.000138
"1157603"	253.084251	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+3ACN+2H"	125.094202
"1698039"	513.100985	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+NH4+CF3COOH"	132.026685
"1635516"	518.05638	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+Na+CF3COOH"	136.98208
"1580646"	534.03032	"C10946"	"Metsulfuron-methyl;Metsulfuron methyl"	"C14H15N5O6S"	"381.0743"	"M+K+CF3COOH"	152.95602
"802990"	279.1471	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M"	0
"981262"	260.12871	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-H2O-H"	-19.01839
"70598"	185.090790666667	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M-3H"	-3.021828
"507972"	278.139824	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M-3H"	-3.021828
"893430"	92.0417573333333	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-3H"	-3.021828
"8728"	278.139824	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M-2H"	-2.014552
"448288"	417.713374	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M-2H"	-2.014552
"820622"	138.566274	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-2H"	-2.014552
"84990"	557.286924	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M-H"	-1.007276
"527832"	836.434024	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M-H"	-1.007276
"905636"	278.139824	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-H"	-1.007276
"61106"	574.313471	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M-2H+NH4"	16.019271
"500299"	853.460571	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M-2H+NH4"	16.019271
"876277"	295.166371	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-2H+NH4"	16.019271
"39804"	579.268866	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M-2H+Na"	20.974666
"485805"	858.415966	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M-2H+Na"	20.974666
"860447"	300.121766	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-2H+Na"	20.974666
"1622324"	300.121766	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Na-2H"	20.974666
"99944"	296.128163	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M-H+Cl"	33.962126
"536227"	435.701713	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M-H+Cl"	33.962126
"929378"	156.554613	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-H+Cl"	33.962126
"268422"	593.263602	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+Cl"	34.969402
"661451"	872.410702	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+Cl"	34.969402
"1274218"	314.116502	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Cl"	34.969402
"17139"	595.242806	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M-2H+K"	36.948606
"457062"	874.389906	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M-2H+K"	36.948606
"834502"	316.095706	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-2H+K"	36.948606
"1557264"	316.095706	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+K-2H"	36.948606
"943689"	324.145294	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-H+HCOOH"	44.998194
"362634"	603.292401	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+HCOOH-H"	44.998201
"346152"	617.308051	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+Hac-H"	59.013851
"1494008"	338.160951	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Hac-H"	59.013851
"959244"	346.127251	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-H+NaCOOH"	66.980151
"113257"	314.116502	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+2Cl"	69.938804
"552814"	453.690052	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+2Cl"	69.938804
"1021527"	174.542952	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2Cl"	69.938804
"1241724"	358.065985	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Br"	78.918885
"1304362"	360.121972	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Cl+HCOOH"	80.974872
"1320417"	382.103929	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Cl+NaCOOH"	102.956829
"919497"	392.132686	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M-H+CF3COOH"	112.985586
"1298393"	428.109364	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Cl+CF3COOH"	148.962264
"1371087"	244.134424	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H-2H2O"	-35.012676
"1384574"	262.1444	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H-H2O"	-17.0027
"288269"	559.301476	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+H"	1.007276
"680690"	838.448576	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+H"	1.007276
"1351571"	280.154376	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H"	1.007276
"126030"	280.154376	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+2H"	2.014552
"567033"	419.727926	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+2H"	2.014552
"1037302"	140.580826	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2H"	2.014552
"204548"	187.105342666667	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+3H"	3.021828
"644639"	280.154376	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+3H"	3.021828
"1164967"	94.0563093333333	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+3H"	3.021828
"439963"	576.328023	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+NH4"	18.033823
"801243"	855.475123	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+NH4"	18.033823
"1694689"	297.180923	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+NH4"	18.033823
"337140"	288.6676495	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+H+NH4"	19.041099
"736125"	428.2411995	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+H+NH4"	19.041099
"1485572"	149.0940995	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H+NH4"	19.041099
"403156"	581.283418	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+Na"	22.989218
"761962"	860.430518	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+Na"	22.989218
"1614433"	302.136318	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Na"	22.989218
"325564"	291.145347	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+H+Na"	23.996494
"719820"	430.718897	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+H+Na"	23.996494
"1470723"	151.571797	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H+Na"	23.996494
"1057408"	101.383623333333	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2H+Na"	25.00377
"1259813"	312.180586	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+CH3OH+H"	33.033486
"380940"	597.257358	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+K"	38.963158
"741206"	876.404458	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+K"	38.963158
"1543985"	318.110258	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+K"	38.963158
"302253"	299.132317	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+H+K"	39.970434
"696861"	438.705867	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+H+K"	39.970434
"1448860"	159.558767	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H+K"	39.970434
"236367"	600.328026	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+ACN+H"	42.033826
"1210412"	321.180926	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+ACN+H"	42.033826
"1194784"	161.094101	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+ACN+2H"	43.041102
"190205"	603.26536	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+2Na-H"	44.97116
"628902"	882.41246	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+2Na-H"	44.97116
"1131386"	324.11826	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2Na-H"	44.97116
"172983"	302.136318	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+2Na"	45.978436
"613445"	441.709868	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+2Na"	45.978436
"1115650"	162.562768	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2Na"	45.978436
"1406080"	108.710937333333	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H+2Na"	46.985712
"1437105"	326.159846	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H+HCOOH"	47.012746
"232999"	307.16934	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+3H2O+2H"	56.04448
"1521060"	340.21189	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+IsoProp+H"	61.06479
"416738"	310.123288	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+Na+K"	61.952376
"781013"	449.696838	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+Na+K"	61.952376
"1672243"	170.549738	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Na+K"	61.952376
"256940"	622.309968	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+ACN+Na"	64.015768
"1234385"	343.162868	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+ACN+Na"	64.015768
"1715616"	343.186393	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+NH4+HCOOH"	64.039293
"1182430"	116.038251333333	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+3Na"	68.967654
"1652319"	348.141788	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Na+HCOOH"	68.994688
"160273"	635.21324	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+2K-H"	76.91904
"599832"	914.36034	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+2K-H"	76.91904
"1085558"	356.06614	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2K-H"	76.91904
"142982"	318.110258	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"2M+2K"	77.926316
"584002"	457.683808	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"3M+2K"	77.926316
"1071070"	178.536708	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2K"	77.926316
"1101483"	358.080692	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2K+H"	78.933592
"1341027"	358.168307	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+DMSO+H"	79.021207
"1006029"	362.207476	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2ACN+H"	83.060376
"1525005"	363.201108	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+IsoProp+Na+H"	84.054008
"990523"	181.607376	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+2ACN+2H"	84.067652
"1591922"	364.115728	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+K+HCOOH"	84.968628
"1414785"	394.147238	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+H+CF3COOH"	115.000138
"1157713"	202.120651	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+3ACN+2H"	125.094202
"1697784"	411.173785	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+NH4+CF3COOH"	132.026685
"1636354"	416.12918	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+Na+CF3COOH"	136.98208
"1580756"	432.10312	"C10947"	"Metalaxyl"	"C15H21NO4"	"279.1471"	"M+K+CF3COOH"	152.95602
"805652"	277.0982	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M"	0
"981372"	258.07981	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-H2O-H"	-19.01839
"70708"	183.724857333333	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M-3H"	-3.021828
"508082"	276.090924	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M-3H"	-3.021828
"891354"	91.3587906666667	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-3H"	-3.021828
"9932"	276.090924	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M-2H"	-2.014552
"451679"	414.640024	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M-2H"	-2.014552
"820733"	137.541824	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-2H"	-2.014552
"87287"	553.189124	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M-H"	-1.007276
"530128"	830.287324	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M-H"	-1.007276
"909879"	276.090924	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-H"	-1.007276
"61216"	570.215671	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M-2H+NH4"	16.019271
"499681"	847.313871	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M-2H+NH4"	16.019271
"877480"	293.117471	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-2H+NH4"	16.019271
"43194"	575.171066	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M-2H+Na"	20.974666
"485310"	852.269266	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M-2H+Na"	20.974666
"862743"	298.072866	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-2H+Na"	20.974666
"1623528"	298.072866	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Na-2H"	20.974666
"97868"	294.079263	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M-H+Cl"	33.962126
"536337"	432.628363	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M-H+Cl"	33.962126
"929488"	155.530163	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-H+Cl"	33.962126
"268410"	589.165802	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+Cl"	34.969402
"661317"	866.264002	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+Cl"	34.969402
"1275421"	312.067602	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Cl"	34.969402
"19073"	591.145006	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M-2H+K"	36.948606
"456810"	868.243206	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M-2H+K"	36.948606
"834975"	314.046806	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-2H+K"	36.948606
"1555992"	314.046806	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+K-2H"	36.948606
"943471"	322.096394	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-H+HCOOH"	44.998194
"362256"	599.194601	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+HCOOH-H"	44.998201
"346992"	613.210251	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+Hac-H"	59.013851
"1494000"	336.112051	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Hac-H"	59.013851
"960087"	344.078351	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-H+NaCOOH"	66.980151
"116283"	312.067602	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+2Cl"	69.938804
"551466"	450.616702	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+2Cl"	69.938804
"1022210"	173.518502	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2Cl"	69.938804
"1241710"	356.017085	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Br"	78.918885
"1304270"	358.073072	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Cl+HCOOH"	80.974872
"1320527"	380.055029	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Cl+NaCOOH"	102.956829
"914140"	390.083786	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M-H+CF3COOH"	112.985586
"1292305"	426.060464	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Cl+CF3COOH"	148.962264
"1367342"	242.085524	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H-2H2O"	-35.012676
"1386505"	260.0955	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H-H2O"	-17.0027
"283639"	555.203676	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+H"	1.007276
"678977"	832.301876	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+H"	1.007276
"1353865"	278.105476	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H"	1.007276
"125893"	278.105476	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+2H"	2.014552
"565794"	416.654576	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+2H"	2.014552
"1037414"	139.556376	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2H"	2.014552
"204624"	185.739409333333	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+3H"	3.021828
"644629"	278.105476	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+3H"	3.021828
"1163132"	93.3733426666667	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+3H"	3.021828
"438447"	572.230223	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+NH4"	18.033823
"801028"	849.328423	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+NH4"	18.033823
"1694798"	295.132023	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+NH4"	18.033823
"341255"	286.6187495	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+H+NH4"	19.041099
"735862"	425.1678495	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+H+NH4"	19.041099
"1481300"	148.0696495	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H+NH4"	19.041099
"396701"	577.185618	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+Na"	22.989218
"762069"	854.283818	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+Na"	22.989218
"1605796"	300.087418	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Na"	22.989218
"322394"	289.096447	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+H+Na"	23.996494
"712629"	427.645547	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+H+Na"	23.996494
"1466451"	150.547347	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H+Na"	23.996494
"1058611"	100.700656666667	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2H+Na"	25.00377
"1259559"	310.131686	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+CH3OH+H"	33.033486
"381050"	593.159558	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+K"	38.963158
"741680"	870.257758	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+K"	38.963158
"1543001"	316.061358	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+K"	38.963158
"300541"	297.083417	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+H+K"	39.970434
"694785"	435.632517	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+H+K"	39.970434
"1450793"	158.534317	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H+K"	39.970434
"236274"	596.230226	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+ACN+H"	42.033826
"1213562"	319.132026	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+ACN+H"	42.033826
"1195623"	160.069651	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+ACN+2H"	43.041102
"191409"	599.16756	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+2Na-H"	44.97116
"629019"	876.26576	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+2Na-H"	44.97116
"1131602"	322.06936	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2Na-H"	44.97116
"174358"	300.087418	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+2Na"	45.978436
"613231"	438.636518	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+2Na"	45.978436
"1115839"	161.538318	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2Na"	45.978436
"1408376"	108.027970666667	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H+2Na"	46.985712
"1439401"	324.110946	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H+HCOOH"	47.012746
"232378"	305.12044	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+3H2O+2H"	56.04448
"1520441"	338.16299	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+IsoProp+H"	61.06479
"414661"	308.074388	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+Na+K"	61.952376
"780030"	446.623488	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+Na+K"	61.952376
"1670166"	169.525288	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Na+K"	61.952376
"257415"	618.212168	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+ACN+Na"	64.015768
"1233402"	341.113968	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+ACN+Na"	64.015768
"1713903"	341.137493	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+NH4+HCOOH"	64.039293
"1181447"	115.355284666667	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+3Na"	68.967654
"1652064"	346.092888	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Na+HCOOH"	68.994688
"160747"	631.11544	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+2K-H"	76.91904
"599943"	908.21364	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+2K-H"	76.91904
"1084819"	354.01724	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2K-H"	76.91904
"141550"	316.061358	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"2M+2K"	77.926316
"582654"	454.610458	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"3M+2K"	77.926316
"1070570"	177.512258	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2K"	77.926316
"1102563"	356.031792	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2K+H"	78.933592
"1336154"	356.119407	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+DMSO+H"	79.021207
"1005934"	360.158576	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2ACN+H"	83.060376
"1524263"	361.152208	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+IsoProp+Na+H"	84.054008
"990108"	180.582926	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+2ACN+2H"	84.067652
"1589845"	362.066828	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+K+HCOOH"	84.968628
"1414774"	392.098338	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+H+CF3COOH"	115.000138
"1154543"	201.096201	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+3ACN+2H"	125.094202
"1697530"	409.124885	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+NH4+CF3COOH"	132.026685
"1635007"	414.08028	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+Na+CF3COOH"	136.98208
"1580866"	430.05422	"C10948"	"Metazachlor"	"C14H16ClN3O"	"277.0982"	"M+K+CF3COOH"	152.95602
"804669"	410.1009	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M"	0
"981482"	391.08251	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-H2O-H"	-19.01839
"67538"	272.393324	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M-3H"	-3.021828
"509285"	409.093624	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M-3H"	-3.021828
"887091"	135.693024	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-3H"	-3.021828
"8948"	409.093624	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M-2H"	-2.014552
"450695"	614.144074	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M-2H"	-2.014552
"821937"	204.043174	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-2H"	-2.014552
"85212"	819.194524	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M-H"	-1.007276
"528053"	1229.295424	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M-H"	-1.007276
"909138"	409.093624	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-H"	-1.007276
"61204"	836.221071	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M-2H+NH4"	16.019271
"500399"	1246.321971	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M-2H+NH4"	16.019271
"876133"	426.120171	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-2H+NH4"	16.019271
"44034"	841.176466	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M-2H+Na"	20.974666
"485297"	1251.277366	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M-2H+Na"	20.974666
"856293"	431.075566	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-2H+Na"	20.974666
"1623638"	431.075566	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Na-2H"	20.974666
"96885"	427.081963	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M-H+Cl"	33.962126
"535717"	632.132413	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M-H+Cl"	33.962126
"931057"	222.031513	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-H+Cl"	33.962126
"269249"	855.171202	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+Cl"	34.969402
"661670"	1265.272102	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+Cl"	34.969402
"1274440"	445.070302	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Cl"	34.969402
"18088"	857.150406	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M-2H+K"	36.948606
"457648"	1267.251306	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M-2H+K"	36.948606
"833991"	447.049506	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-2H+K"	36.948606
"1556108"	447.049506	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+K-2H"	36.948606
"943906"	455.099094	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-H+HCOOH"	44.998194
"362242"	865.200001	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+HCOOH-H"	44.998201
"346739"	879.215651	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+Hac-H"	59.013851
"1495572"	469.114751	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Hac-H"	59.013851
"959221"	477.081051	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-H+NaCOOH"	66.980151
"112385"	445.070302	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+2Cl"	69.938804
"550853"	650.120752	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+2Cl"	69.938804
"1022075"	240.019852	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2Cl"	69.938804
"1241786"	489.019785	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Br"	78.918885
"1304391"	491.075772	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Cl+HCOOH"	80.974872
"1323192"	513.057729	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Cl+NaCOOH"	102.956829
"912792"	523.086486	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M-H+CF3COOH"	112.985586
"1292415"	559.063164	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Cl+CF3COOH"	148.962264
"1368753"	375.088224	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H-2H2O"	-35.012676
"1388803"	393.0982	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H-H2O"	-17.0027
"283058"	821.209076	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+H"	1.007276
"677630"	1231.309976	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+H"	1.007276
"1351952"	411.108176	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H"	1.007276
"125722"	411.108176	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+2H"	2.014552
"565927"	616.158626	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+2H"	2.014552
"1037401"	206.057726	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2H"	2.014552
"204819"	274.407876	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+3H"	3.021828
"644659"	411.108176	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+3H"	3.021828
"1163481"	137.707576	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+3H"	3.021828
"436125"	838.235623	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+NH4"	18.033823
"800163"	1248.336523	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+NH4"	18.033823
"1694908"	428.134723	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+NH4"	18.033823
"338447"	419.6214495	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+H+NH4"	19.041099
"733421"	624.6718995	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+H+NH4"	19.041099
"1481776"	214.5709995	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H+NH4"	19.041099
"403006"	843.191018	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+Na"	22.989218
"758901"	1253.291918	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+Na"	22.989218
"1609186"	433.090118	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Na"	22.989218
"319223"	422.099147	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+H+Na"	23.996494
"712739"	627.149597	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+H+Na"	23.996494
"1463279"	217.048697	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H+Na"	23.996494
"1056898"	145.03489	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2H+Na"	25.00377
"1258575"	443.134386	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+CH3OH+H"	33.033486
"377120"	859.164958	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+K"	38.963158
"738522"	1269.265858	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+K"	38.963158
"1541290"	449.064058	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+K"	38.963158
"299922"	430.086117	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+H+K"	39.970434
"697083"	635.136567	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+H+K"	39.970434
"1449809"	225.035667	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H+K"	39.970434
"237682"	862.235626	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+ACN+H"	42.033826
"1216588"	452.134726	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+ACN+H"	42.033826
"1196462"	226.571001	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+ACN+2H"	43.041102
"194071"	865.17296	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+2Na-H"	44.97116
"629131"	1275.27386	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+2Na-H"	44.97116
"1131947"	455.07206	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2Na-H"	44.97116
"174957"	433.090118	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+2Na"	45.978436
"614152"	638.140568	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+2Na"	45.978436
"1117048"	228.039668	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2Na"	45.978436
"1405206"	152.362204	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H+2Na"	46.985712
"1438420"	457.113646	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H+HCOOH"	47.012746
"232490"	438.12314	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+3H2O+2H"	56.04448
"1520187"	471.16569	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+IsoProp+H"	61.06479
"414771"	441.077088	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+Na+K"	61.952376
"776859"	646.127538	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+Na+K"	61.952376
"1673192"	236.026638	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Na+K"	61.952376
"257525"	884.217568	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+ACN+Na"	64.015768
"1231689"	474.116668	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+ACN+Na"	64.015768
"1713649"	474.140193	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+NH4+HCOOH"	64.039293
"1179366"	159.689518	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+3Na"	68.967654
"1649934"	479.095588	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Na+HCOOH"	68.994688
"157215"	897.12084	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+2K-H"	76.91904
"597371"	1307.22174	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+2K-H"	76.91904
"1085172"	487.01994	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2K-H"	76.91904
"142225"	449.064058	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"2M+2K"	77.926316
"581620"	654.114508	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"3M+2K"	77.926316
"1068812"	244.013608	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2K"	77.926316
"1100359"	489.034492	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2K+H"	78.933592
"1335811"	489.122107	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+DMSO+H"	79.021207
"1005956"	493.161276	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2ACN+H"	83.060376
"1524488"	494.154908	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+IsoProp+Na+H"	84.054008
"990051"	247.084276	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+2ACN+2H"	84.067652
"1589955"	495.069528	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+K+HCOOH"	84.968628
"1415249"	525.101038	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+H+CF3COOH"	115.000138
"1157933"	267.597551	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+3ACN+2H"	125.094202
"1698006"	542.127585	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+NH4+CF3COOH"	132.026685
"1635481"	547.08298	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+Na+CF3COOH"	136.98208
"1580976"	563.05692	"C10949"	"Nicosulfuron"	"C15H18N6O6S"	"410.1009"	"M+K+CF3COOH"	152.95602
"804779"	419.0875	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M"	0
"982685"	400.06911	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-H2O-H"	-19.01839
"67648"	278.384390666667	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M-3H"	-3.021828
"508302"	418.080224	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M-3H"	-3.021828
"890480"	138.688557333333	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-3H"	-3.021828
"10150"	418.080224	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M-2H"	-2.014552
"451898"	627.623974	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M-2H"	-2.014552
"827514"	208.536474	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-2H"	-2.014552
"86411"	837.167724	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M-H"	-1.007276
"525973"	1256.255224	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M-H"	-1.007276
"907058"	418.080224	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-H"	-1.007276
"62289"	854.194271	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M-2H+NH4"	16.019271
"498805"	1273.281771	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M-2H+NH4"	16.019271
"875514"	435.106771	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-2H+NH4"	16.019271
"44508"	859.149666	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M-2H+Na"	20.974666
"485528"	1278.237166	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M-2H+Na"	20.974666
"859683"	440.062166	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-2H+Na"	20.974666
"1623748"	440.062166	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Na-2H"	20.974666
"96995"	436.068563	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M-H+Cl"	33.962126
"535826"	645.612313	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M-H+Cl"	33.962126
"933354"	226.524813	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-H+Cl"	33.962126
"272278"	873.144402	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+Cl"	34.969402
"661422"	1292.231902	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+Cl"	34.969402
"1274066"	454.056902	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Cl"	34.969402
"18203"	875.123606	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M-2H+K"	36.948606
"457400"	1294.211106	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M-2H+K"	36.948606
"834471"	456.036106	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-2H+K"	36.948606
"1558326"	456.036106	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+K-2H"	36.948606
"944746"	464.085694	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-H+HCOOH"	44.998194
"362599"	883.173201	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+HCOOH-H"	44.998201
"346603"	897.188851	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+Hac-H"	59.013851
"1495682"	478.101351	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Hac-H"	59.013851
"959697"	486.067651	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-H+NaCOOH"	66.980151
"112494"	454.056902	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+2Cl"	69.938804
"552051"	663.600652	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+2Cl"	69.938804
"1022314"	244.513152	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2Cl"	69.938804
"1244448"	498.006385	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Br"	78.918885
"1305801"	500.062372	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Cl+HCOOH"	80.974872
"1323666"	522.044329	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Cl+NaCOOH"	102.956829
"913631"	532.073086	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M-H+CF3COOH"	112.985586
"1291068"	568.049764	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Cl+CF3COOH"	148.962264
"1370322"	384.074824	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H-2H2O"	-35.012676
"1392193"	402.0848	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H-H2O"	-17.0027
"289693"	839.182276	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+H"	1.007276
"677740"	1258.269776	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+H"	1.007276
"1352992"	420.094776	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H"	1.007276
"126242"	420.094776	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+2H"	2.014552
"565815"	629.638526	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+2H"	2.014552
"1037145"	210.551026	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2H"	2.014552
"204686"	280.398942666667	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+3H"	3.021828
"644610"	420.094776	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+3H"	3.021828
"1162793"	140.703109333333	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+3H"	3.021828
"438665"	856.208823	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+NH4"	18.033823
"800274"	1275.296323	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+NH4"	18.033823
"1694653"	437.121323	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+NH4"	18.033823
"341837"	428.6080495	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+H+NH4"	19.041099
"735352"	638.1517995	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+H+NH4"	19.041099
"1484803"	219.0642995	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H+NH4"	19.041099
"402387"	861.164218	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+Na"	22.989218
"756825"	1280.251718	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+Na"	22.989218
"1608203"	442.076718	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Na"	22.989218
"320427"	431.085747	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+H+Na"	23.996494
"711755"	640.629497	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+H+Na"	23.996494
"1466670"	221.541997	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H+Na"	23.996494
"1056278"	148.030423333333	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2H+Na"	25.00377
"1257589"	452.120986	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+CH3OH+H"	33.033486
"380176"	877.138158	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+K"	38.963158
"738572"	1296.225658	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+K"	38.963158
"1541764"	458.050658	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+K"	38.963158
"302220"	439.072717	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+H+K"	39.970434
"695006"	648.616467	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+H+K"	39.970434
"1448825"	229.528967	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H+K"	39.970434
"236698"	880.208826	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+ACN+H"	42.033826
"1214146"	461.121326	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+ACN+H"	42.033826
"1196571"	231.064301	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+ACN+2H"	43.041102
"194909"	883.14616	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+2Na-H"	44.97116
"629727"	1302.23366	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+2Na-H"	44.97116
"1131489"	464.05866	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2Na-H"	44.97116
"174092"	442.076718	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+2Na"	45.978436
"613285"	651.620468	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+2Na"	45.978436
"1116182"	232.532968	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2Na"	45.978436
"1402399"	155.357737333333	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H+2Na"	46.985712
"1440717"	466.100246	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H+HCOOH"	47.012746
"232599"	447.10974	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+3H2O+2H"	56.04448
"1519567"	480.15229	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+IsoProp+H"	61.06479
"418161"	450.063688	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+Na+K"	61.952376
"780249"	659.607438	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+Na+K"	61.952376
"1670022"	240.519938	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Na+K"	61.952376
"256541"	902.190768	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+ACN+Na"	64.015768
"1234715"	483.103268	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+ACN+Na"	64.015768
"1715581"	483.126793	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+NH4+HCOOH"	64.039293
"1183124"	162.685051333333	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+3Na"	68.967654
"1653014"	488.082188	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Na+HCOOH"	68.994688
"157190"	915.09404	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+2K-H"	76.91904
"598705"	1334.18154	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+2K-H"	76.91904
"1084552"	496.00654	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2K-H"	76.91904
"141854"	458.050658	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"2M+2K"	77.926316
"581448"	667.594408	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"3M+2K"	77.926316
"1068964"	248.506908	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2K"	77.926316
"1100066"	498.021092	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2K+H"	78.933592
"1335676"	498.108707	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+DMSO+H"	79.021207
"1005864"	502.147876	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2ACN+H"	83.060376
"1524189"	503.141508	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+IsoProp+Na+H"	84.054008
"990004"	251.577576	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+2ACN+2H"	84.067652
"1590066"	504.056128	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+K+HCOOH"	84.968628
"1417181"	534.087638	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+H+CF3COOH"	115.000138
"1158043"	272.090851	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+3ACN+2H"	125.094202
"1701032"	551.114185	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+NH4+CF3COOH"	132.026685
"1635591"	556.06958	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+Na+CF3COOH"	136.98208
"1581086"	572.04352	"C10950"	"Prosulfuron"	"C15H16F3N5O4S"	"419.0875"	"M+K+CF3COOH"	152.95602
"802702"	440.0573	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M"	0
"981702"	421.03891	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-H2O-H"	-19.01839
"67758"	292.364257333333	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M-3H"	-3.021828
"507319"	439.050024	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M-3H"	-3.021828
"888404"	145.678490666667	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-3H"	-3.021828
"5888"	439.050024	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M-2H"	-2.014552
"449822"	659.078674	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M-2H"	-2.014552
"826532"	219.021374	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-2H"	-2.014552
"85428"	879.107324	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M-H"	-1.007276
"524990"	1319.164624	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M-H"	-1.007276
"907168"	439.050024	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-H"	-1.007276
"62398"	896.133871	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M-2H+NH4"	16.019271
"496728"	1336.191171	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M-2H+NH4"	16.019271
"876717"	456.076571	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-2H+NH4"	16.019271
"44618"	901.089266	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M-2H+Na"	20.974666
"483085"	1341.146566	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M-2H+Na"	20.974666
"859793"	461.031966	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-2H+Na"	20.974666
"1623858"	461.031966	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Na-2H"	20.974666
"97105"	457.038363	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M-H+Cl"	33.962126
"535449"	677.067013	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M-H+Cl"	33.962126
"930184"	237.009713	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-H+Cl"	33.962126
"270200"	915.084002	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+Cl"	34.969402
"661896"	1355.141302	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+Cl"	34.969402
"1274176"	475.026702	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Cl"	34.969402
"17949"	917.063206	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M-2H+K"	36.948606
"456781"	1357.120506	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M-2H+K"	36.948606
"836401"	477.005906	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-2H+K"	36.948606
"1556248"	477.005906	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+K-2H"	36.948606
"947043"	485.055494	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-H+HCOOH"	44.998194
"364532"	925.112801	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+HCOOH-H"	44.998201
"348050"	939.128451	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+Hac-H"	59.013851
"1495792"	499.071151	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Hac-H"	59.013851
"959806"	507.037451	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-H+NaCOOH"	66.980151
"111874"	475.026702	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+2Cl"	69.938804
"552528"	695.055352	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+2Cl"	69.938804
"1022301"	254.998052	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2Cl"	69.938804
"1247838"	518.976185	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Br"	78.918885
"1304819"	521.032172	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Cl+HCOOH"	80.974872
"1323412"	543.014129	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Cl+NaCOOH"	102.956829
"913741"	553.042886	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M-H+CF3COOH"	112.985586
"1291178"	589.019564	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Cl+CF3COOH"	148.962264
"1368245"	405.044624	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H-2H2O"	-35.012676
"1392303"	423.0546	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H-H2O"	-17.0027
"289803"	881.121876	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+H"	1.007276
"676757"	1321.179176	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+H"	1.007276
"1355289"	441.064576	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H"	1.007276
"126473"	441.064576	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+2H"	2.014552
"566751"	661.093226	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+2H"	2.014552
"1037461"	221.035926	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2H"	2.014552
"204474"	294.378809333333	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+3H"	3.021828
"644319"	441.064576	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+3H"	3.021828
"1163131"	147.693042666667	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+3H"	3.021828
"424539"	898.148423	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+NH4"	18.033823
"786628"	1338.205723	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+NH4"	18.033823
"1683819"	458.091123	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+NH4"	18.033823
"333560"	449.5778495	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+H+NH4"	19.041099
"731087"	669.6064995	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+H+NH4"	19.041099
"1483820"	229.5491995	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H+NH4"	19.041099
"399217"	903.103818	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+Na"	22.989218
"759122"	1343.161118	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+Na"	22.989218
"1610500"	463.046518	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Na"	22.989218
"320537"	452.055547	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+H+Na"	23.996494
"715146"	672.084197	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+H+Na"	23.996494
"1467873"	232.026897	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H+Na"	23.996494
"1053348"	155.020356666667	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2H+Na"	25.00377
"1257700"	473.090786	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+CH3OH+H"	33.033486
"380650"	919.077758	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+K"	38.963158
"738889"	1359.135058	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+K"	38.963158
"1541509"	479.020458	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+K"	38.963158
"300507"	460.042517	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+H+K"	39.970434
"692927"	680.071167	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+H+K"	39.970434
"1452216"	240.013867	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H+K"	39.970434
"237902"	922.148426	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+ACN+H"	42.033826
"1211704"	482.091126	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+ACN+H"	42.033826
"1196318"	241.549201	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+ACN+2H"	43.041102
"193928"	925.08576	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+2Na-H"	44.97116
"629717"	1365.14306	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+2Na-H"	44.97116
"1132374"	485.02846	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2Na-H"	44.97116
"173716"	463.046518	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+2Na"	45.978436
"613521"	683.075168	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+2Na"	45.978436
"1116537"	243.017868	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2Na"	45.978436
"1401781"	162.347670666667	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H+2Na"	46.985712
"1439734"	487.070046	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H+HCOOH"	47.012746
"232709"	468.07954	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+3H2O+2H"	56.04448
"1516397"	501.12209	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+IsoProp+H"	61.06479
"418271"	471.033488	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+Na+K"	61.952376
"779266"	691.062138	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+Na+K"	61.952376
"1671224"	251.004838	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Na+K"	61.952376
"259930"	944.130368	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+ACN+Na"	64.015768
"1232638"	504.073068	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+ACN+Na"	64.015768
"1715326"	504.096593	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+NH4+HCOOH"	64.039293
"1181410"	169.674984666667	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+3Na"	68.967654
"1654217"	509.051988	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Na+HCOOH"	68.994688
"157137"	957.03364	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+2K-H"	76.91904
"597397"	1397.09094	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+2K-H"	76.91904
"1084249"	516.97634	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2K-H"	76.91904
"141531"	479.020458	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"2M+2K"	77.926316
"581645"	699.049108	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"3M+2K"	77.926316
"1069074"	258.991808	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2K"	77.926316
"1099940"	518.990892	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2K+H"	78.933592
"1335870"	519.078507	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+DMSO+H"	79.021207
"1006097"	523.117676	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2ACN+H"	83.060376
"1524384"	524.111308	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+IsoProp+Na+H"	84.054008
"990110"	262.062476	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+2ACN+2H"	84.067652
"1589082"	525.025928	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+K+HCOOH"	84.968628
"1416927"	555.057438	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+H+CF3COOH"	115.000138
"1158153"	282.575751	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+3ACN+2H"	125.094202
"1700413"	572.083985	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+NH4+CF3COOH"	132.026685
"1635701"	577.03938	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+Na+CF3COOH"	136.98208
"1581196"	593.01332	"C10951"	"N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-p-(alphaalphaalpha-trifluoro-p-tolyl)oxyphenylacetamide;ITOPA"	"C20H16ClF3N2O2S"	"440.0573"	"M+K+CF3COOH"	152.95602
"802324"	431.0569	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M"	0
"981812"	412.03851	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-H2O-H"	-19.01839
"67868"	286.363990666667	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M-3H"	-3.021828
"508522"	430.049624	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M-3H"	-3.021828
"889607"	142.678357333333	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-3H"	-3.021828
"8183"	430.049624	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M-2H"	-2.014552
"448838"	645.578074	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M-2H"	-2.014552
"827732"	214.521174	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-2H"	-2.014552
"85538"	861.106524	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M-H"	-1.007276
"528380"	1292.163424	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M-H"	-1.007276
"909463"	430.049624	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-H"	-1.007276
"59464"	878.133071	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M-2H+NH4"	16.019271
"501211"	1309.189971	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M-2H+NH4"	16.019271
"873546"	447.076171	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-2H+NH4"	16.019271
"43635"	883.088466	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M-2H+Na"	20.974666
"482101"	1314.145366	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M-2H+Na"	20.974666
"859903"	452.031566	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-2H+Na"	20.974666
"1623968"	452.031566	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Na-2H"	20.974666
"95754"	448.037963	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M-H+Cl"	33.962126
"534947"	663.566413	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M-H+Cl"	33.962126
"930294"	232.509513	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-H+Cl"	33.962126
"271040"	897.083202	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+Cl"	34.969402
"662735"	1328.140102	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+Cl"	34.969402
"1274648"	466.026302	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Cl"	34.969402
"17693"	899.062406	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M-2H+K"	36.948606
"459074"	1330.119306	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M-2H+K"	36.948606
"833962"	468.005506	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-2H+K"	36.948606
"1556356"	468.005506	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+K-2H"	36.948606
"949340"	476.055094	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-H+HCOOH"	44.998194
"365370"	907.112001	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+HCOOH-H"	44.998201
"347795"	921.127651	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+Hac-H"	59.013851
"1495901"	490.070751	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Hac-H"	59.013851
"959914"	498.037051	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-H+NaCOOH"	66.980151
"111984"	466.026302	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+2Cl"	69.938804
"551664"	681.554752	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+2Cl"	69.938804
"1023020"	250.497852	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2Cl"	69.938804
"1246855"	509.975785	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Br"	78.918885
"1305414"	512.031772	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Cl+HCOOH"	80.974872
"1323522"	534.013729	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Cl+NaCOOH"	102.956829
"912758"	544.042486	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M-H+CF3COOH"	112.985586
"1293475"	580.019164	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Cl+CF3COOH"	148.962264
"1368355"	396.044224	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H-2H2O"	-35.012676
"1392413"	414.0542	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H-H2O"	-17.0027
"286633"	863.121076	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+H"	1.007276
"679053"	1294.177976	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+H"	1.007276
"1355399"	432.064176	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H"	1.007276
"126459"	432.064176	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+2H"	2.014552
"566381"	647.592626	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+2H"	2.014552
"1037166"	216.535726	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2H"	2.014552
"204307"	288.378542666667	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+3H"	3.021828
"644836"	432.064176	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+3H"	3.021828
"1163694"	144.692909333333	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+3H"	3.021828
"424365"	880.147623	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+NH4"	18.033823
"785805"	1311.204523	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+NH4"	18.033823
"1681861"	449.090723	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+NH4"	18.033823
"337678"	440.5774495	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+H+NH4"	19.041099
"731197"	656.1058995	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+H+NH4"	19.041099
"1486112"	225.0489995	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H+NH4"	19.041099
"400417"	885.103018	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+Na"	22.989218
"757038"	1316.159918	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+Na"	22.989218
"1609512"	454.046118	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Na"	22.989218
"320642"	443.055147	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+H+Na"	23.996494
"708694"	658.583597	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+H+Na"	23.996494
"1466890"	227.526697	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H+Na"	23.996494
"1055766"	152.020223333333	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2H+Na"	25.00377
"1260724"	464.090386	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+CH3OH+H"	33.033486
"378935"	901.076958	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+K"	38.963158
"738958"	1332.133858	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+K"	38.963158
"1541619"	470.020058	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+K"	38.963158
"302440"	451.042117	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+H+K"	39.970434
"692673"	666.570567	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+H+K"	39.970434
"1450139"	235.513667	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H+K"	39.970434
"236795"	904.147626	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+ACN+H"	42.033826
"1211328"	473.090726	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+ACN+H"	42.033826
"1196430"	237.049001	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+ACN+2H"	43.041102
"193673"	907.08496	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+2Na-H"	44.97116
"629094"	1338.14186	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+2Na-H"	44.97116
"1132240"	476.02806	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2Na-H"	44.97116
"175406"	454.046118	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+2Na"	45.978436
"613991"	669.574568	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+2Na"	45.978436
"1117014"	238.517668	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2Na"	45.978436
"1405536"	159.347537333333	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H+2Na"	46.985712
"1440938"	478.069646	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H+HCOOH"	47.012746
"232819"	459.07914	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+3H2O+2H"	56.04448
"1519787"	492.12169	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+IsoProp+H"	61.06479
"420568"	462.033088	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+Na+K"	61.952376
"779376"	677.561538	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+Na+K"	61.952376
"1676799"	246.504638	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Na+K"	61.952376
"264414"	926.129568	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+ACN+Na"	64.015768
"1238215"	495.072668	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+ACN+Na"	64.015768
"1717263"	495.096193	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+NH4+HCOOH"	64.039293
"1183709"	166.674851333333	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+3Na"	68.967654
"1654327"	500.051588	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Na+HCOOH"	68.994688
"157653"	939.03284	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+2K-H"	76.91904
"597463"	1370.08974	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+2K-H"	76.91904
"1084524"	507.97594	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2K-H"	76.91904
"142071"	470.020058	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"2M+2K"	77.926316
"581873"	685.548508	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"3M+2K"	77.926316
"1069181"	254.491608	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2K"	77.926316
"1100445"	509.990492	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2K+H"	78.933592
"1336225"	510.078107	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+DMSO+H"	79.021207
"1005840"	514.117276	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2ACN+H"	83.060376
"1524454"	515.110908	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+IsoProp+Na+H"	84.054008
"990295"	257.562276	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+2ACN+2H"	84.067652
"1588098"	516.025528	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+K+HCOOH"	84.968628
"1417037"	546.057038	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+H+CF3COOH"	115.000138
"1158263"	278.075551	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+3ACN+2H"	125.094202
"1700159"	563.083585	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+NH4+CF3COOH"	132.026685
"1636176"	568.03898	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+Na+CF3COOH"	136.98208
"1581306"	584.01292	"C10952"	"Rimsulfuron"	"C14H17N5O7S2"	"431.0569"	"M+K+CF3COOH"	152.95602
"803286"	283.1339	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M"	0
"981922"	264.11551	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-H2O-H"	-19.01839
"70165"	187.748657333333	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M-3H"	-3.021828
"508632"	282.126624	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M-3H"	-3.021828
"890810"	93.3706906666666	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-3H"	-3.021828
"9387"	282.126624	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H"	-2.014552
"450041"	423.693574	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H"	-2.014552
"824563"	140.559674	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-2H"	-2.014552
"85649"	565.260524	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M-H"	-1.007276
"523385"	848.394424	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M-H"	-1.007276
"908480"	282.126624	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-H"	-1.007276
"58481"	582.287071	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H+NH4"	16.019271
"501321"	865.420971	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H+NH4"	16.019271
"870374"	299.153171	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-2H+NH4"	16.019271
"43745"	587.242466	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H+Na"	20.974666
"481119"	870.376366	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H+Na"	20.974666
"856733"	304.108566	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-2H+Na"	20.974666
"1624078"	304.108566	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Na-2H"	20.974666
"95258"	300.114963	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M-H+Cl"	33.962126
"534816"	441.681913	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M-H+Cl"	33.962126
"927967"	158.548013	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-H+Cl"	33.962126
"270789"	601.237202	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+Cl"	34.969402
"662116"	884.371102	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+Cl"	34.969402
"1273545"	318.103302	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl"	34.969402
"18166"	603.216406	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H+K"	36.948606
"457118"	886.350306	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H+K"	36.948606
"833346"	320.082506	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-2H+K"	36.948606
"1558292"	320.082506	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+K-2H"	36.948606
"943984"	328.132094	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-H+HCOOH"	44.998194
"363294"	611.266001	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+HCOOH-H"	44.998201
"350458"	625.281651	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+Hac-H"	59.013851
"1496012"	342.147751	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Hac-H"	59.013851
"959542"	350.114051	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-H+NaCOOH"	66.980151
"114649"	318.103302	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+2Cl"	69.938804
"552023"	459.670252	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+2Cl"	69.938804
"1023009"	176.536352	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2Cl"	69.938804
"1245872"	362.052785	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Br"	78.918885
"1307591"	364.108772	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl+HCOOH"	80.974872
"1325089"	386.090729	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl+NaCOOH"	102.956829
"923440"	396.119486	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M-H+CF3COOH"	112.985586
"1293587"	432.096164	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl+CF3COOH"	148.962264
"1367494"	248.121224	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H-2H2O"	-35.012676
"1389244"	266.1312	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H-H2O"	-17.0027
"285647"	567.275076	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+H"	1.007276
"676611"	850.408976	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+H"	1.007276
"1354416"	284.141176	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H"	1.007276
"126330"	284.141176	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+2H"	2.014552
"567959"	425.708126	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+2H"	2.014552
"1038946"	142.574226	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2H"	2.014552
"206118"	189.763209333333	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+3H"	3.021828
"647502"	284.141176	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+3H"	3.021828
"1162952"	95.3852426666667	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+3H"	3.021828
"426712"	584.301623	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+NH4"	18.033823
"785729"	867.435523	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+NH4"	18.033823
"1681485"	301.167723	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+NH4"	18.033823
"336693"	292.6544495	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+H+NH4"	19.041099
"728027"	434.2213995	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+H+NH4"	19.041099
"1485129"	151.0874995	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H+NH4"	19.041099
"398340"	589.257018	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+Na"	22.989218
"759334"	872.390918	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+Na"	22.989218
"1606342"	306.123118	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Na"	22.989218
"317473"	295.132147	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+H+Na"	23.996494
"709898"	436.699097	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+H+Na"	23.996494
"1465906"	153.565197	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H+Na"	23.996494
"1054779"	102.712556666667	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2H+Na"	25.00377
"1263017"	316.167386	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+CH3OH+H"	33.033486
"377947"	605.230958	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+K"	38.963158
"740038"	888.364858	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+K"	38.963158
"1542089"	322.097058	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+K"	38.963158
"302550"	303.119117	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+H+K"	39.970434
"692779"	444.686067	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+H+K"	39.970434
"1449156"	161.552167	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H+K"	39.970434
"236539"	608.301626	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+ACN+H"	42.033826
"1210829"	325.167726	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+ACN+H"	42.033826
"1196537"	163.087501	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+ACN+2H"	43.041102
"194147"	611.23896	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+2Na-H"	44.97116
"629696"	894.37286	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+2Na-H"	44.97116
"1131511"	328.10506	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2Na-H"	44.97116
"174181"	306.123118	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+2Na"	45.978436
"613740"	447.690068	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+2Na"	45.978436
"1117002"	164.556168	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2Na"	45.978436
"1402366"	110.039870666667	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H+2Na"	46.985712
"1437763"	330.146646	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H+HCOOH"	47.012746
"223082"	311.15614	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+3H2O+2H"	56.04448
"1519897"	344.19869	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+IsoProp+H"	61.06479
"419585"	314.110088	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+Na+K"	61.952376
"780579"	455.677038	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+Na+K"	61.952376
"1676909"	172.543138	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Na+K"	61.952376
"264524"	630.283568	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+ACN+Na"	64.015768
"1235045"	347.149668	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+ACN+Na"	64.015768
"1717373"	347.173193	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+NH4+HCOOH"	64.039293
"1181631"	117.367184666667	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+3Na"	68.967654
"1652250"	352.128588	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Na+HCOOH"	68.994688
"157894"	643.18684	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+2K-H"	76.91904
"599521"	926.32074	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+2K-H"	76.91904
"1084877"	360.05294	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2K-H"	76.91904
"146927"	322.097058	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"2M+2K"	77.926316
"583448"	463.664008	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"3M+2K"	77.926316
"1069291"	180.530108	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2K"	77.926316
"1102020"	362.067492	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2K+H"	78.933592
"1336337"	362.155107	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+DMSO+H"	79.021207
"1006197"	366.194276	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2ACN+H"	83.060376
"1524645"	367.187908	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+IsoProp+Na+H"	84.054008
"990286"	183.600776	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+2ACN+2H"	84.067652
"1588572"	368.102528	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+K+HCOOH"	84.968628
"1415076"	398.134038	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+H+CF3COOH"	115.000138
"1152905"	204.114051	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+3ACN+2H"	125.094202
"1701363"	415.160585	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+NH4+CF3COOH"	132.026685
"1645766"	420.11598	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+Na+CF3COOH"	136.98208
"1581416"	436.08992	"C10953"	"Metolachlor"	"C15H22ClNO2"	"283.1339"	"M+K+CF3COOH"	152.95602
"805219"	291.1259	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M"	0
"982032"	272.10751	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-H2O-H"	-19.01839
"70275"	193.076657333333	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M-3H"	-3.021828
"506556"	290.118624	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M-3H"	-3.021828
"892017"	96.0346906666667	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-3H"	-3.021828
"8405"	290.118624	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M-2H"	-2.014552
"447966"	435.681574	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M-2H"	-2.014552
"825768"	144.555674	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-2H"	-2.014552
"86850"	581.244524	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M-H"	-1.007276
"529694"	872.370424	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M-H"	-1.007276
"909443"	290.118624	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-H"	-1.007276
"60659"	598.271071	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M-2H+NH4"	16.019271
"499245"	889.396971	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M-2H+NH4"	16.019271
"869391"	307.145171	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-2H+NH4"	16.019271
"44949"	603.226466	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M-2H+Na"	20.974666
"485239"	894.352366	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M-2H+Na"	20.974666
"856843"	312.100566	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-2H+Na"	20.974666
"1624188"	312.100566	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Na-2H"	20.974666
"95248"	308.106963	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M-H+Cl"	33.962126
"535904"	453.669913	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M-H+Cl"	33.962126
"928323"	162.544013	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-H+Cl"	33.962126
"267657"	617.221202	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+Cl"	34.969402
"660159"	908.347102	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+Cl"	34.969402
"1272912"	326.095302	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Cl"	34.969402
"17910"	619.200406	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M-2H+K"	36.948606
"456620"	910.326306	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M-2H+K"	36.948606
"832939"	328.074506	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-2H+K"	36.948606
"1557430"	328.074506	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+K-2H"	36.948606
"945189"	336.124094	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-H+HCOOH"	44.998194
"364498"	627.250001	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+HCOOH-H"	44.998201
"351662"	641.265651	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+Hac-H"	59.013851
"1492962"	350.139751	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Hac-H"	59.013851
"958678"	358.106051	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-H+NaCOOH"	66.980151
"113666"	326.095302	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+2Cl"	69.938804
"554320"	471.658252	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+2Cl"	69.938804
"1021778"	180.532352	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2Cl"	69.938804
"1245979"	370.044785	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Br"	78.918885
"1305148"	372.100772	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Cl+HCOOH"	80.974872
"1321915"	394.082729	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Cl+NaCOOH"	102.956829
"911366"	404.111486	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M-H+CF3COOH"	112.985586
"1289439"	440.088164	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Cl+CF3COOH"	148.962264
"1368207"	256.113224	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H-2H2O"	-35.012676
"1383151"	274.1232	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H-H2O"	-17.0027
"283569"	583.259076	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+H"	1.007276
"676316"	874.384976	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+H"	1.007276
"1353432"	292.133176	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H"	1.007276
"125742"	292.133176	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+2H"	2.014552
"565995"	437.696126	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+2H"	2.014552
"1040514"	146.570226	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2H"	2.014552
"209144"	195.091209333333	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+3H"	3.021828
"647612"	292.133176	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+3H"	3.021828
"1165737"	98.0492426666667	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+3H"	3.021828
"426093"	600.285623	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+NH4"	18.033823
"786237"	891.411523	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+NH4"	18.033823
"1681507"	309.159723	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+NH4"	18.033823
"333521"	300.6464495	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+H+NH4"	19.041099
"728137"	446.2093995	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+H+NH4"	19.041099
"1483053"	155.0834995	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H+NH4"	19.041099
"397357"	605.241018	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+Na"	22.989218
"758350"	896.366918	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+Na"	22.989218
"1606449"	314.115118	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Na"	22.989218
"317580"	303.124147	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+H+Na"	23.996494
"708184"	448.687097	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+H+Na"	23.996494
"1467110"	157.561197	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H+Na"	23.996494
"1054039"	105.376556666667	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2H+Na"	25.00377
"1259848"	324.159386	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+CH3OH+H"	33.033486
"377322"	621.214958	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+K"	38.963158
"738971"	912.340858	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+K"	38.963158
"1540376"	330.089058	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+K"	38.963158
"299377"	311.111117	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+H+K"	39.970434
"692528"	456.674067	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+H+K"	39.970434
"1450359"	165.548167	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H+K"	39.970434
"236165"	624.285626	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+ACN+H"	42.033826
"1212036"	333.159726	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+ACN+H"	42.033826
"1195311"	167.083501	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+ACN+2H"	43.041102
"190613"	627.22296	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+2Na-H"	44.97116
"628631"	918.34886	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+2Na-H"	44.97116
"1132586"	336.09706	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2Na-H"	44.97116
"173685"	314.115118	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+2Na"	45.978436
"612999"	459.678068	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+2Na"	45.978436
"1117478"	168.552168	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2Na"	45.978436
"1403569"	112.703870666667	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H+2Na"	46.985712
"1437873"	338.138646	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H+HCOOH"	47.012746
"222099"	319.14814	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+3H2O+2H"	56.04448
"1516725"	352.19069	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+IsoProp+H"	61.06479
"415321"	322.102088	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+Na+K"	61.952376
"780688"	467.665038	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+Na+K"	61.952376
"1673739"	176.539138	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Na+K"	61.952376
"254423"	646.267568	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+ACN+Na"	64.015768
"1235155"	355.141668	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+ACN+Na"	64.015768
"1713468"	355.165193	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+NH4+HCOOH"	64.039293
"1178693"	120.031184666667	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+3Na"	68.967654
"1650126"	360.120588	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Na+HCOOH"	68.994688
"157516"	659.17084	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+2K-H"	76.91904
"597685"	950.29674	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+2K-H"	76.91904
"1085969"	368.04494	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2K-H"	76.91904
"142540"	330.089058	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"2M+2K"	77.926316
"582465"	475.652008	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"3M+2K"	77.926316
"1068617"	184.526108	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2K"	77.926316
"1100669"	370.059492	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2K+H"	78.933592
"1336325"	370.147107	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+DMSO+H"	79.021207
"1005647"	374.186276	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2ACN+H"	83.060376
"1524214"	375.179908	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+IsoProp+Na+H"	84.054008
"989925"	187.596776	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+2ACN+2H"	84.067652
"1587031"	376.094528	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+K+HCOOH"	84.968628
"1414821"	406.126038	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+H+CF3COOH"	115.000138
"1154108"	208.110051	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+3ACN+2H"	125.094202
"1698557"	423.152585	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+NH4+CF3COOH"	132.026685
"1645876"	428.10798	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+Na+CF3COOH"	136.98208
"1581526"	444.08192	"C10954"	"Naproanilide"	"C19H17NO2"	"291.1259"	"M+K+CF3COOH"	152.95602
"814079"	364.0841	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M"	0
"985423"	345.06571	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-H2O-H"	-19.01839
"73666"	241.715457333333	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M-3H"	-3.021828
"511040"	363.076824	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M-3H"	-3.021828
"892127"	120.354090666667	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-3H"	-3.021828
"8515"	363.076824	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M-2H"	-2.014552
"448076"	545.118874	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M-2H"	-2.014552
"829158"	181.034774	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-2H"	-2.014552
"88056"	727.160924	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M-H"	-1.007276
"532602"	1091.245024	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M-H"	-1.007276
"906515"	363.076824	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-H"	-1.007276
"55421"	744.187471	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M-2H+NH4"	16.019271
"500937"	1108.271571	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M-2H+NH4"	16.019271
"870229"	380.103371	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-2H+NH4"	16.019271
"37402"	749.142866	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M-2H+Na"	20.974666
"483525"	1113.226966	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M-2H+Na"	20.974666
"859139"	385.058766	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-2H+Na"	20.974666
"1629765"	385.058766	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Na-2H"	20.974666
"98638"	381.065163	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M-H+Cl"	33.962126
"536010"	563.107213	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M-H+Cl"	33.962126
"931719"	199.023113	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-H+Cl"	33.962126
"271376"	763.137602	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+Cl"	34.969402
"661121"	1127.221702	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+Cl"	34.969402
"1274375"	399.053502	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Cl"	34.969402
"16567"	765.116806	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M-2H+K"	36.948606
"459411"	1129.200906	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M-2H+K"	36.948606
"833931"	401.032706	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-2H+K"	36.948606
"1559606"	401.032706	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+K-2H"	36.948606
"944208"	409.082294	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-H+HCOOH"	44.998194
"367889"	773.166401	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+HCOOH-H"	44.998201
"350678"	787.182051	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+Hac-H"	59.013851
"1494406"	423.097951	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Hac-H"	59.013851
"964865"	431.064251	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-H+NaCOOH"	66.980151
"118151"	399.053502	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+2Cl"	69.938804
"556618"	581.095552	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+2Cl"	69.938804
"1025417"	217.011452	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2Cl"	69.938804
"1243173"	443.002985	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Br"	78.918885
"1309633"	445.058972	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Cl+HCOOH"	80.974872
"1322028"	467.040929	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Cl+NaCOOH"	102.956829
"914180"	477.069686	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M-H+CF3COOH"	112.985586
"1290525"	513.046364	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Cl+CF3COOH"	148.962264
"1369781"	329.071424	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H-2H2O"	-35.012676
"1383992"	347.0814	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H-H2O"	-17.0027
"286964"	729.175476	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+H"	1.007276
"677199"	1093.259576	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+H"	1.007276
"1352816"	365.091376	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H"	1.007276
"128624"	365.091376	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+2H"	2.014552
"570371"	547.133426	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+2H"	2.014552
"1041356"	183.049326	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2H"	2.014552
"210352"	243.730009333333	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+3H"	3.021828
"651006"	365.091376	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+3H"	3.021828
"1165486"	122.368642666667	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+3H"	3.021828
"428032"	746.202023	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+NH4"	18.033823
"793402"	1110.286123	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+NH4"	18.033823
"1687544"	382.117923	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+NH4"	18.033823
"334729"	373.6046495	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+H+NH4"	19.041099
"724968"	555.6466995	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+H+NH4"	19.041099
"1480977"	191.5625995	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H+NH4"	19.041099
"399659"	751.157418	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+Na"	22.989218
"762839"	1115.241518	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+Na"	22.989218
"1603403"	387.073318	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Na"	22.989218
"316965"	376.082347	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+H+Na"	23.996494
"713401"	558.124397	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+H+Na"	23.996494
"1467224"	194.040297	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H+Na"	23.996494
"1057556"	129.695956666667	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2H+Na"	25.00377
"1257409"	397.117586	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+CH3OH+H"	33.033486
"379630"	767.131358	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+K"	38.963158
"738960"	1131.215458	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+K"	38.963158
"1540729"	403.047258	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+K"	38.963158
"303134"	384.069317	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+H+K"	39.970434
"693731"	566.111367	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+H+K"	39.970434
"1446095"	202.027267	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H+K"	39.970434
"236519"	770.202026	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+ACN+H"	42.033826
"1211051"	406.117926	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+ACN+H"	42.033826
"1197488"	203.562601	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+ACN+2H"	43.041102
"191451"	773.13936	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+2Na-H"	44.97116
"629917"	1137.22346	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+2Na-H"	44.97116
"1132696"	409.05526	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2Na-H"	44.97116
"174159"	387.073318	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+2Na"	45.978436
"614082"	569.115368	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+2Na"	45.978436
"1118317"	205.031268	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2Na"	45.978436
"1402586"	137.023270666667	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H+2Na"	46.985712
"1434703"	411.096846	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H+HCOOH"	47.012746
"221115"	392.10634	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+3H2O+2H"	56.04448
"1509543"	425.14889	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+IsoProp+H"	61.06479
"409961"	395.060288	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+Na+K"	61.952376
"770215"	577.102338	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+Na+K"	61.952376
"1665861"	213.018238	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Na+K"	61.952376
"251769"	792.183968	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+ACN+Na"	64.015768
"1226384"	428.099868	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+ACN+Na"	64.015768
"1713363"	428.123393	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+NH4+HCOOH"	64.039293
"1178961"	144.350584666667	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+3Na"	68.967654
"1649945"	433.078788	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Na+HCOOH"	68.994688
"157739"	805.08724	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+2K-H"	76.91904
"597297"	1169.17134	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+2K-H"	76.91904
"1084366"	441.00314	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2K-H"	76.91904
"141667"	403.047258	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"2M+2K"	77.926316
"581517"	585.089308	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"3M+2K"	77.926316
"1069023"	221.005208	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2K"	77.926316
"1100098"	443.017692	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2K+H"	78.933592
"1336060"	443.105307	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+DMSO+H"	79.021207
"1005694"	447.144476	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2ACN+H"	83.060376
"1524676"	448.138108	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+IsoProp+Na+H"	84.054008
"990097"	224.075876	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+2ACN+2H"	84.067652
"1587083"	449.052728	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+K+HCOOH"	84.968628
"1414198"	479.084238	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+H+CF3COOH"	115.000138
"1149114"	244.589151	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+3ACN+2H"	125.094202
"1697006"	496.110785	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+NH4+CF3COOH"	132.026685
"1639422"	501.06618	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+Na+CF3COOH"	136.98208
"1581636"	517.04012	"C10955"	"Sulfometuron methyl"	"C15H16N4O5S"	"364.0841"	"M+K+CF3COOH"	152.95602
"803252"	267.0565	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M"	0
"984440"	248.03811	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-H2O-H"	-19.01839
"77058"	177.030390666667	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M-3H"	-3.021828
"515526"	266.049224	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M-3H"	-3.021828
"894423"	88.0115573333333	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-3H"	-3.021828
"10812"	266.049224	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M-2H"	-2.014552
"448186"	399.577474	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M-2H"	-2.014552
"828176"	132.520974	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-2H"	-2.014552
"83791"	533.105724	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M-H"	-1.007276
"531861"	800.162224	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M-H"	-1.007276
"906626"	266.049224	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-H"	-1.007276
"58812"	550.132271	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M-2H+NH4"	16.019271
"497278"	817.188771	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M-2H+NH4"	16.019271
"871798"	283.075771	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-2H+NH4"	16.019271
"38605"	555.087666	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M-2H+Na"	20.974666
"478165"	822.144166	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M-2H+Na"	20.974666
"860342"	288.031166	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-2H+Na"	20.974666
"1625502"	288.031166	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Na-2H"	20.974666
"98749"	284.037563	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M-H+Cl"	33.962126
"536849"	417.565813	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M-H+Cl"	33.962126
"930368"	150.509313	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-H+Cl"	33.962126
"268198"	569.082402	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+Cl"	34.969402
"660746"	836.138902	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+Cl"	34.969402
"1273473"	302.025902	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Cl"	34.969402
"16680"	571.061606	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M-2H+K"	36.948606
"458427"	838.118106	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M-2H+K"	36.948606
"833022"	304.005106	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-2H+K"	36.948606
"1557530"	304.005106	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+K-2H"	36.948606
"942959"	312.054694	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-H+HCOOH"	44.998194
"363626"	579.111201	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+HCOOH-H"	44.998201
"348601"	593.126851	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+Hac-H"	59.013851
"1496340"	326.070351	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Hac-H"	59.013851
"962789"	334.036651	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-H+NaCOOH"	66.980151
"118261"	302.025902	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+2Cl"	69.938804
"555634"	435.554152	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+2Cl"	69.938804
"1031722"	168.497652	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2Cl"	69.938804
"1247292"	345.975385	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Br"	78.918885
"1308649"	348.031372	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Cl+HCOOH"	80.974872
"1322137"	370.013329	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Cl+NaCOOH"	102.956829
"915019"	380.042086	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M-H+CF3COOH"	112.985586
"1292456"	416.018764	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Cl+CF3COOH"	148.962264
"1369891"	232.043824	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H-2H2O"	-35.012676
"1386290"	250.0538	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H-H2O"	-17.0027
"293634"	535.120276	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+H"	1.007276
"678402"	802.176776	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+H"	1.007276
"1356937"	268.063776	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H"	1.007276
"128734"	268.063776	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+2H"	2.014552
"573761"	401.592026	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+2H"	2.014552
"1043653"	134.535526	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2H"	2.014552
"211555"	179.044942666667	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+3H"	3.021828
"649293"	268.063776	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+3H"	3.021828
"1169241"	90.0261093333334	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+3H"	3.021828
"432517"	552.146823	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+NH4"	18.033823
"794607"	819.203323	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+NH4"	18.033823
"1688747"	285.090323	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+NH4"	18.033823
"335933"	276.5770495	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+H+NH4"	19.041099
"730542"	410.1052995	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+H+NH4"	19.041099
"1482538"	143.0487995	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H+NH4"	19.041099
"398670"	557.102218	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+Na"	22.989218
"761852"	824.158718	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+Na"	22.989218
"1609955"	290.045718	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Na"	22.989218
"317805"	279.054747	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+H+Na"	23.996494
"710227"	412.582997	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+H+Na"	23.996494
"1466233"	145.526497	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H+Na"	23.996494
"1053648"	97.3534233333333	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2H+Na"	25.00377
"1257755"	300.089986	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+CH3OH+H"	33.033486
"377665"	573.076158	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+K"	38.963158
"739392"	840.132658	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+K"	38.963158
"1540146"	306.019658	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+K"	38.963158
"299717"	287.041717	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+H+K"	39.970434
"693842"	420.569967	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+H+K"	39.970434
"1446691"	153.513467	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H+K"	39.970434
"237235"	576.146826	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+ACN+H"	42.033826
"1211404"	309.090326	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+ACN+H"	42.033826
"1197235"	155.048801	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+ACN+2H"	43.041102
"194115"	579.08416	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+2Na-H"	44.97116
"633674"	846.14066	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+2Na-H"	44.97116
"1133172"	312.02766	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2Na-H"	44.97116
"175728"	290.045718	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+2Na"	45.978436
"614557"	423.573968	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+2Na"	45.978436
"1119158"	156.517468	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2Na"	45.978436
"1400012"	104.680737333333	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H+2Na"	46.985712
"1434813"	314.069246	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H+HCOOH"	47.012746
"222437"	295.07874	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+3H2O+2H"	56.04448
"1510017"	328.12129	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+IsoProp+H"	61.06479
"410071"	298.032688	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+Na+K"	61.952376
"772160"	431.560938	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+Na+K"	61.952376
"1670679"	164.504438	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Na+K"	61.952376
"251756"	598.128768	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+ACN+Na"	64.015768
"1226011"	331.072268	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+ACN+Na"	64.015768
"1713554"	331.095793	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+NH4+HCOOH"	64.039293
"1180121"	112.008051333333	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+3Na"	68.967654
"1650138"	336.051188	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Na+HCOOH"	68.994688
"157847"	611.03204	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+2K-H"	76.91904
"597894"	878.08854	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+2K-H"	76.91904
"1084516"	343.97554	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2K-H"	76.91904
"141859"	306.019658	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"2M+2K"	77.926316
"582674"	439.547908	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"3M+2K"	77.926316
"1069498"	172.491408	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2K"	77.926316
"1100075"	345.990092	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2K+H"	78.933592
"1336172"	346.077707	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+DMSO+H"	79.021207
"1005809"	350.116876	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2ACN+H"	83.060376
"1524530"	351.110508	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+IsoProp+Na+H"	84.054008
"990206"	175.562076	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+2ACN+2H"	84.067652
"1587075"	352.025128	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+K+HCOOH"	84.968628
"1415161"	382.056638	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+H+CF3COOH"	115.000138
"1147228"	196.075351	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+3ACN+2H"	125.094202
"1698040"	399.083185	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+NH4+CF3COOH"	132.026685
"1639532"	404.03858	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+Na+CF3COOH"	136.98208
"1581746"	420.01252	"C10956"	"Oxycarboxin"	"C12H13NO4S"	"267.0565"	"M+K+CF3COOH"	152.95602
"812109"	387.0307	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M"	0
"986737"	368.01231	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-H2O-H"	-19.01839
"77168"	257.013190666667	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M-3H"	-3.021828
"517825"	386.023424	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M-3H"	-3.021828
"894534"	128.002957333333	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-3H"	-3.021828
"8735"	386.023424	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M-2H"	-2.014552
"448295"	579.538774	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M-2H"	-2.014552
"829379"	192.508074	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-2H"	-2.014552
"84995"	773.054124	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M-H"	-1.007276
"530024"	1160.084824	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M-H"	-1.007276
"902359"	386.023424	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-H"	-1.007276
"52360"	790.080671	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M-2H+NH4"	16.019271
"491920"	1177.111371	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M-2H+NH4"	16.019271
"869722"	403.049971	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-2H+NH4"	16.019271
"38715"	795.036066	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M-2H+Na"	20.974666
"482647"	1182.066766	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M-2H+Na"	20.974666
"856078"	408.005366	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-2H+Na"	20.974666
"1624519"	408.005366	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Na-2H"	20.974666
"98130"	404.011763	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M-H+Cl"	33.962126
"539148"	597.527113	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M-H+Cl"	33.962126
"930115"	210.496413	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-H+Cl"	33.962126
"269407"	809.030802	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+Cl"	34.969402
"661465"	1196.061502	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+Cl"	34.969402
"1273744"	422.000102	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Cl"	34.969402
"18005"	811.010006	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M-2H+K"	36.948606
"459630"	1198.040706	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M-2H+K"	36.948606
"837431"	423.979306	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-2H+K"	36.948606
"1563107"	423.979306	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+K-2H"	36.948606
"945521"	432.028894	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-H+HCOOH"	44.998194
"364830"	819.059601	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+HCOOH-H"	44.998201
"347619"	833.075251	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+Hac-H"	59.013851
"1496450"	446.044551	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Hac-H"	59.013851
"961806"	454.010851	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-H+NaCOOH"	66.980151
"118371"	422.000102	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+2Cl"	69.938804
"556838"	615.515452	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+2Cl"	69.938804
"1028916"	228.484752	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2Cl"	69.938804
"1244122"	465.949585	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Br"	78.918885
"1318724"	468.005572	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Cl+HCOOH"	80.974872
"1328444"	489.987529	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Cl+NaCOOH"	102.956829
"916223"	500.016286	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M-H+CF3COOH"	112.985586
"1301680"	535.992964	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Cl+CF3COOH"	148.962264
"1373281"	352.018024	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H-2H2O"	-35.012676
"1385307"	370.028	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H-H2O"	-17.0027
"293744"	775.068676	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+H"	1.007276
"683979"	1162.099376	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+H"	1.007276
"1358140"	388.037976	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H"	1.007276
"132124"	388.037976	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+2H"	2.014552
"572778"	581.553326	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+2H"	2.014552
"1045951"	194.522626	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2H"	2.014552
"212759"	259.027742666667	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+3H"	3.021828
"654506"	388.037976	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+3H"	3.021828
"1169353"	130.017509333333	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+3H"	3.021828
"431534"	792.095223	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+NH4"	18.033823
"790343"	1179.125923	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+NH4"	18.033823
"1688858"	405.064523	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+NH4"	18.033823
"338231"	396.5512495	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+H+NH4"	19.041099
"730652"	590.0665995	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+H+NH4"	19.041099
"1480826"	203.0358995	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H+NH4"	19.041099
"398782"	797.050618	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+Na"	22.989218
"760869"	1184.081318	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+Na"	22.989218
"1610065"	410.019918	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Na"	22.989218
"319008"	399.028947	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+H+Na"	23.996494
"712524"	592.544297	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+H+Na"	23.996494
"1467437"	205.513597	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H+Na"	23.996494
"1057415"	137.344823333333	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2H+Na"	25.00377
"1258724"	420.064186	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+CH3OH+H"	33.033486
"381308"	813.024558	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+K"	38.963158
"739873"	1200.055258	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+K"	38.963158
"1542535"	425.993858	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+K"	38.963158
"303718"	407.015917	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+H+K"	39.970434
"702338"	600.531267	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+H+K"	39.970434
"1455065"	213.500567	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H+K"	39.970434
"238565"	816.095226	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+ACN+H"	42.033826
"1213097"	429.064526	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+ACN+H"	42.033826
"1198439"	215.035901	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+ACN+2H"	43.041102
"197506"	819.03256	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+2Na-H"	44.97116
"639253"	1206.06326	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+2Na-H"	44.97116
"1137291"	432.00186	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2Na-H"	44.97116
"179488"	410.019918	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+2Na"	45.978436
"616131"	603.535268	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+2Na"	45.978436
"1118538"	216.504568	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2Na"	45.978436
"1399759"	144.672137333333	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H+2Na"	46.985712
"1434926"	434.043446	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H+HCOOH"	47.012746
"226808"	415.05294	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+3H2O+2H"	56.04448
"1513048"	448.09549	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+IsoProp+H"	61.06479
"409450"	418.006888	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+Na+K"	61.952376
"770446"	611.522238	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+Na+K"	61.952376
"1666777"	224.491538	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Na+K"	61.952376
"254025"	838.077168	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+ACN+Na"	64.015768
"1227827"	451.046468	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+ACN+Na"	64.015768
"1715255"	451.069993	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+NH4+HCOOH"	64.039293
"1178576"	151.999451333333	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+3Na"	68.967654
"1651105"	456.025388	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Na+HCOOH"	68.994688
"158574"	850.98044	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+2K-H"	76.91904
"597407"	1238.01114	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+2K-H"	76.91904
"1088365"	463.94974	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2K-H"	76.91904
"144089"	425.993858	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"2M+2K"	77.926316
"586929"	619.509208	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"3M+2K"	77.926316
"1069493"	232.478508	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2K"	77.926316
"1100636"	465.964292	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2K+H"	78.933592
"1337757"	466.051907	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+DMSO+H"	79.021207
"1005996"	470.091076	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2ACN+H"	83.060376
"1524768"	471.084708	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+IsoProp+Na+H"	84.054008
"990489"	235.549176	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+2ACN+2H"	84.067652
"1587302"	471.999328	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+K+HCOOH"	84.968628
"1416489"	502.030838	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+H+CF3COOH"	115.000138
"1148962"	256.062451	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+3ACN+2H"	125.094202
"1698517"	519.057385	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+NH4+CF3COOH"	132.026685
"1634336"	524.01278	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+Na+CF3COOH"	136.98208
"1581856"	539.98672	"C10957"	"Thifensulfuron-methyl;Thifensulfuron methyl"	"C12H13N5O6S2"	"387.0307"	"M+K+CF3COOH"	152.95602
"808940"	267.1008	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M"	0
"984660"	248.08241	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-H2O-H"	-19.01839
"72903"	177.059924	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M-3H"	-3.021828
"516478"	266.093524	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M-3H"	-3.021828
"892457"	88.026324	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-3H"	-3.021828
"8843"	266.093524	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M-2H"	-2.014552
"446217"	399.643924	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M-2H"	-2.014552
"827301"	132.543124	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-2H"	-2.014552
"84011"	533.194324	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M-H"	-1.007276
"524667"	800.295124	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M-H"	-1.007276
"903561"	266.093524	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-H"	-1.007276
"54655"	550.220871	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M-2H+NH4"	16.019271
"492027"	817.321671	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M-2H+NH4"	16.019271
"870922"	283.120071	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-2H+NH4"	16.019271
"39917"	555.176266	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M-2H+Na"	20.974666
"480570"	822.277066	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M-2H+Na"	20.974666
"858374"	288.075466	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-2H+Na"	20.974666
"1624629"	288.075466	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Na-2H"	20.974666
"98603"	284.081863	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M-H+Cl"	33.962126
"537070"	417.632263	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M-H+Cl"	33.962126
"929861"	150.531463	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-H+Cl"	33.962126
"271702"	569.171002	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+Cl"	34.969402
"666311"	836.271802	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+Cl"	34.969402
"1274343"	302.070202	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Cl"	34.969402
"21274"	571.150206	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M-2H+K"	36.948606
"456580"	838.251006	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M-2H+K"	36.948606
"839729"	304.049406	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-2H+K"	36.948606
"1563217"	304.049406	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+K-2H"	36.948606
"948912"	312.098994	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-H+HCOOH"	44.998194
"372594"	579.199801	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+HCOOH-H"	44.998201
"349915"	593.215451	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+Hac-H"	59.013851
"1497653"	326.114651	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Hac-H"	59.013851
"963009"	334.080951	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-H+NaCOOH"	66.980151
"118481"	302.070202	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+2Cl"	69.938804
"558041"	435.620602	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+2Cl"	69.938804
"1031213"	168.519802	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2Cl"	69.938804
"1244232"	346.019685	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Br"	78.918885
"1317617"	348.075672	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Cl+HCOOH"	80.974872
"1327461"	370.057629	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Cl+NaCOOH"	102.956829
"916333"	380.086386	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M-H+CF3COOH"	112.985586
"1300697"	416.063064	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Cl+CF3COOH"	148.962264
"1371204"	232.088124	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H-2H2O"	-35.012676
"1386510"	250.0981	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H-H2O"	-17.0027
"293854"	535.208876	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+H"	1.007276
"684089"	802.309676	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+H"	1.007276
"1354970"	268.108076	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H"	1.007276
"135514"	268.108076	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+2H"	2.014552
"572888"	401.658476	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+2H"	2.014552
"1047154"	134.557676	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2H"	2.014552
"216149"	179.074476	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+3H"	3.021828
"654616"	268.108076	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+3H"	3.021828
"1171647"	90.040876	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+3H"	3.021828
"430181"	552.235423	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+NH4"	18.033823
"790453"	819.336223	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+NH4"	18.033823
"1688239"	285.134623	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+NH4"	18.033823
"336152"	276.6213495	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+H+NH4"	19.041099
"729666"	410.1717495	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+H+NH4"	19.041099
"1482394"	143.0709495	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H+NH4"	19.041099
"398892"	557.190818	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+Na"	22.989218
"759886"	824.291618	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+Na"	22.989218
"1610176"	290.090018	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Na"	22.989218
"319119"	279.099047	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+H+Na"	23.996494
"713727"	412.649447	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+H+Na"	23.996494
"1469734"	145.548647	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H+Na"	23.996494
"1059713"	97.36819	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2H+Na"	25.00377
"1262482"	300.134286	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+CH3OH+H"	33.033486
"383242"	573.164758	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+K"	38.963158
"743507"	840.265558	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+K"	38.963158
"1545561"	306.063958	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+K"	38.963158
"305652"	287.086017	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+H+K"	39.970434
"700261"	420.636417	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+H+K"	39.970434
"1454082"	153.535617	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H+K"	39.970434
"240497"	576.235426	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+ACN+H"	42.033826
"1218676"	309.134626	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+ACN+H"	42.033826
"1205839"	155.070951	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+ACN+2H"	43.041102
"198710"	579.17276	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+2Na-H"	44.97116
"638269"	846.27356	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+2Na-H"	44.97116
"1142868"	312.07196	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2Na-H"	44.97116
"183971"	290.090018	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+2Na"	45.978436
"619158"	423.640418	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+2Na"	45.978436
"1120475"	156.539618	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2Na"	45.978436
"1399505"	104.695504	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H+2Na"	46.985712
"1439410"	314.113546	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H+HCOOH"	47.012746
"225822"	295.12304	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+3H2O+2H"	56.04448
"1514981"	328.16559	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+IsoProp+H"	61.06479
"414667"	298.076988	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+Na+K"	61.952376
"774568"	431.627388	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+Na+K"	61.952376
"1669075"	164.526588	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Na+K"	61.952376
"253771"	598.217368	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+ACN+Na"	64.015768
"1230125"	331.116568	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+ACN+Na"	64.015768
"1717191"	331.140093	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+NH4+HCOOH"	64.039293
"1181451"	112.022818	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+3Na"	68.967654
"1658636"	336.095488	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Na+HCOOH"	68.994688
"166590"	611.12064	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+2K-H"	76.91904
"605055"	878.22144	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+2K-H"	76.91904
"1093942"	344.01984	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2K-H"	76.91904
"150762"	306.063958	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"2M+2K"	77.926316
"591413"	439.614358	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"3M+2K"	77.926316
"1071550"	172.513558	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2K"	77.926316
"1102936"	346.034392	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2K+H"	78.933592
"1345521"	346.122007	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+DMSO+H"	79.021207
"1017331"	350.161176	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2ACN+H"	83.060376
"1531083"	351.154808	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+IsoProp+Na+H"	84.054008
"990847"	175.584226	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+2ACN+2H"	84.067652
"1587903"	352.069428	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+K+HCOOH"	84.968628
"1416600"	382.100938	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+H+CF3COOH"	115.000138
"1147370"	196.097501	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+3ACN+2H"	125.094202
"1697897"	399.127485	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+NH4+CF3COOH"	132.026685
"1634406"	404.08288	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+Na+CF3COOH"	136.98208
"1581966"	420.05682	"C10958"	"Prinomide"	"C15H13N3O2"	"267.1008"	"M+K+CF3COOH"	152.95602
"805769"	323.0747	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M"	0
"979303"	304.05631	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-H2O-H"	-19.01839
"73013"	214.375857333333	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M-3H"	-3.021828
"514765"	322.067424	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M-3H"	-3.021828
"890381"	106.684290666667	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-3H"	-3.021828
"6765"	322.067424	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M-2H"	-2.014552
"444140"	483.604774	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M-2H"	-2.014552
"827411"	160.530074	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-2H"	-2.014552
"84122"	645.142124	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M-H"	-1.007276
"524777"	968.216824	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M-H"	-1.007276
"903672"	322.067424	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-H"	-1.007276
"54766"	662.168671	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M-2H+NH4"	16.019271
"493231"	985.243371	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M-2H+NH4"	16.019271
"869210"	339.093971	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-2H+NH4"	16.019271
"38932"	667.124066	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M-2H+Na"	20.974666
"478493"	990.198766	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M-2H+Na"	20.974666
"858484"	344.049366	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-2H+Na"	20.974666
"1622550"	344.049366	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Na-2H"	20.974666
"96160"	340.055763	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M-H+Cl"	33.962126
"536449"	501.593113	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M-H+Cl"	33.962126
"929606"	178.518413	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-H+Cl"	33.962126
"271812"	681.118802	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+Cl"	34.969402
"671888"	1004.193502	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+Cl"	34.969402
"1273355"	358.044102	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Cl"	34.969402
"16681"	683.098006	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M-2H+K"	36.948606
"457293"	1006.172706	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M-2H+K"	36.948606
"832863"	360.023306	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-2H+K"	36.948606
"1561140"	360.023306	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+K-2H"	36.948606
"942885"	368.072894	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-H+HCOOH"	44.998194
"363956"	691.147601	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+HCOOH-H"	44.998201
"347838"	705.163251	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+Hac-H"	59.013851
"1492756"	382.088551	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Hac-H"	59.013851
"962026"	390.054851	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-H+NaCOOH"	66.980151
"120778"	358.044102	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+2Cl"	69.938804
"559244"	519.581452	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+2Cl"	69.938804
"1025856"	196.506752	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2Cl"	69.938804
"1243247"	401.993585	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Br"	78.918885
"1308980"	404.049572	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Cl+HCOOH"	80.974872
"1327571"	426.031529	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Cl+NaCOOH"	102.956829
"916443"	436.060286	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M-H+CF3COOH"	112.985586
"1300807"	472.036964	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Cl+CF3COOH"	148.962264
"1371314"	288.062024	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H-2H2O"	-35.012676
"1384434"	306.072	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H-H2O"	-17.0027
"292871"	647.156676	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+H"	1.007276
"684199"	970.231376	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+H"	1.007276
"1355080"	324.081976	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H"	1.007276
"135624"	324.081976	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+2H"	2.014552
"572998"	485.619326	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+2H"	2.014552
"1045078"	162.544626	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2H"	2.014552
"216259"	216.390409333333	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+3H"	3.021828
"656913"	324.081976	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+3H"	3.021828
"1172851"	108.698842666667	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+3H"	3.021828
"432843"	664.183223	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+NH4"	18.033823
"791657"	987.257923	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+NH4"	18.033823
"1686892"	341.108523	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+NH4"	18.033823
"338448"	332.5952495	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+H+NH4"	19.041099
"730868"	494.1325995	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+H+NH4"	19.041099
"1485052"	171.0578995	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H+NH4"	19.041099
"399002"	669.138618	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+Na"	22.989218
"756716"	992.213318	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+Na"	22.989218
"1609193"	346.063918	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Na"	22.989218
"321416"	335.072947	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+H+Na"	23.996494
"713838"	496.610297	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+H+Na"	23.996494
"1468751"	173.535597	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H+Na"	23.996494
"1063103"	116.026156666667	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2H+Na"	25.00377
"1262593"	356.108186	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+CH3OH+H"	33.033486
"381167"	685.112558	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+K"	38.963158
"744347"	1008.187258	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+K"	38.963158
"1547496"	362.037858	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+K"	38.963158
"303941"	343.059917	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+H+K"	39.970434
"700372"	504.597267	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+H+K"	39.970434
"1452006"	181.522567	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H+K"	39.970434
"239514"	688.183226	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+ACN+H"	42.033826
"1217695"	365.108526	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+ACN+H"	42.033826
"1208136"	183.057901	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+ACN+2H"	43.041102
"199914"	691.12056	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+2Na-H"	44.97116
"635099"	1014.19526	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+2Na-H"	44.97116
"1138605"	368.04586	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2Na-H"	44.97116
"182988"	346.063918	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+2Na"	45.978436
"619268"	507.601268	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+2Na"	45.978436
"1119489"	184.526568	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2Na"	45.978436
"1400341"	123.353470666667	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H+2Na"	46.985712
"1432213"	370.087446	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H+HCOOH"	47.012746
"225932"	351.09694	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+3H2O+2H"	56.04448
"1518373"	384.13949	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+IsoProp+H"	61.06479
"413683"	354.050888	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+Na+K"	61.952376
"773584"	515.588238	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+Na+K"	61.952376
"1671010"	192.513538	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Na+K"	61.952376
"253153"	710.165168	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+ACN+Na"	64.015768
"1226343"	387.090468	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+ACN+Na"	64.015768
"1716572"	387.113993	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+NH4+HCOOH"	64.039293
"1182654"	130.680784666667	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+3Na"	68.967654
"1656560"	392.069388	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Na+HCOOH"	68.994688
"167794"	723.06844	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+2K-H"	76.91904
"605165"	1046.14314	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+2K-H"	76.91904
"1092959"	399.99374	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2K-H"	76.91904
"149777"	362.037858	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"2M+2K"	77.926316
"590430"	523.575208	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"3M+2K"	77.926316
"1068563"	200.500508	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2K"	77.926316
"1100860"	402.008292	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2K+H"	78.933592
"1342351"	402.095907	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+DMSO+H"	79.021207
"1013067"	406.135076	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2ACN+H"	83.060376
"1531193"	407.128708	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+IsoProp+Na+H"	84.054008
"990715"	203.571176	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+2ACN+2H"	84.067652
"1588256"	408.043328	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+K+HCOOH"	84.968628
"1415981"	438.074838	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+H+CF3COOH"	115.000138
"1147725"	224.084451	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+3ACN+2H"	125.094202
"1697644"	455.101385	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+NH4+CF3COOH"	132.026685
"1636582"	460.05678	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+Na+CF3COOH"	136.98208
"1582076"	476.03072	"C10959"	"Thenylchlor;NSK-850"	"C16H18ClNO2S"	"323.0747"	"M+K+CF3COOH"	152.95602
"809160"	431.9248	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M"	0
"985974"	412.90641	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-H2O-H"	-19.01839
"77985"	286.942590666667	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M-3H"	-3.021828
"518035"	430.917524	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M-3H"	-3.021828
"891583"	142.967657333333	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-3H"	-3.021828
"14532"	430.917524	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M-2H"	-2.014552
"452999"	646.879924	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M-2H"	-2.014552
"826428"	214.955124	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-2H"	-2.014552
"87512"	862.842324	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M-H"	-1.007276
"524887"	1294.767124	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M-H"	-1.007276
"904874"	430.917524	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-H"	-1.007276
"60342"	879.868871	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M-2H+NH4"	16.019271
"495529"	1311.793671	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M-2H+NH4"	16.019271
"872236"	447.944071	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-2H+NH4"	16.019271
"41229"	884.824266	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M-2H+Na"	20.974666
"482976"	1316.749066	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M-2H+Na"	20.974666
"862973"	452.899466	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-2H+Na"	20.974666
"1623389"	452.899466	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Na-2H"	20.974666
"99554"	448.905863	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M-H+Cl"	33.962126
"537291"	664.868263	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M-H+Cl"	33.962126
"929712"	232.943463	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-H+Cl"	33.962126
"275204"	898.819002	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+Cl"	34.969402
"662157"	1330.743802	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+Cl"	34.969402
"1274563"	466.894202	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Cl"	34.969402
"17119"	900.798206	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M-2H+K"	36.948606
"458864"	1332.723006	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M-2H+K"	36.948606
"833507"	468.873406	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-2H+K"	36.948606
"1561250"	468.873406	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+K-2H"	36.948606
"942970"	476.922994	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-H+HCOOH"	44.998194
"362971"	908.847801	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+HCOOH-H"	44.998201
"347949"	922.863451	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+Hac-H"	59.013851
"1496781"	490.938651	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Hac-H"	59.013851
"966511"	498.904951	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-H+NaCOOH"	66.980151
"124168"	466.894202	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+2Cl"	69.938804
"557167"	682.856602	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+2Cl"	69.938804
"1025966"	250.931802	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2Cl"	69.938804
"1243478"	510.843685	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Br"	78.918885
"1309089"	512.899672	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Cl+HCOOH"	80.974872
"1325494"	534.881629	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Cl+NaCOOH"	102.956829
"914730"	544.910386	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M-H+CF3COOH"	112.985586
"1298729"	580.887064	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Cl+CF3COOH"	148.962264
"1377987"	396.912124	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H-2H2O"	-35.012676
"1395482"	414.9221	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H-H2O"	-17.0027
"292981"	864.856876	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+H"	1.007276
"684310"	1296.781676	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+H"	1.007276
"1356283"	432.932076	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H"	1.007276
"129539"	432.932076	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+2H"	2.014552
"572014"	648.894476	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+2H"	2.014552
"1047373"	216.969676	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2H"	2.014552
"214181"	288.957142666667	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+3H"	3.021828
"654836"	432.932076	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+3H"	3.021828
"1175146"	144.982209333333	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+3H"	3.021828
"431856"	881.883423	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+NH4"	18.033823
"792492"	1313.808223	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+NH4"	18.033823
"1691373"	449.958623	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+NH4"	18.033823
"336370"	441.4453495	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+H+NH4"	19.041099
"728790"	657.4077495	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+H+NH4"	19.041099
"1481517"	225.4829495	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H+NH4"	19.041099
"394006"	886.838818	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+Na"	22.989218
"757916"	1318.763618	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+Na"	22.989218
"1609301"	454.914018	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Na"	22.989218
"319337"	443.923047	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+H+Na"	23.996494
"715040"	659.885447	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+H+Na"	23.996494
"1469953"	227.960647	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H+Na"	23.996494
"1062121"	152.309523333333	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2H+Na"	25.00377
"1263798"	464.958286	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+CH3OH+H"	33.033486
"384561"	902.812758	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+K"	38.963158
"742270"	1334.737558	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+K"	38.963158
"1544327"	470.887958	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+K"	38.963158
"305873"	451.910017	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+H+K"	39.970434
"696113"	667.872417	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+H+K"	39.970434
"1453212"	235.947617	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H+K"	39.970434
"246185"	905.883426	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+ACN+H"	42.033826
"1217804"	473.958626	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+ACN+H"	42.033826
"1203873"	237.482951	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+ACN+2H"	43.041102
"196744"	908.82076	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+2Na-H"	44.97116
"635213"	1340.74556	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+2Na-H"	44.97116
"1141996"	476.89596	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2Na-H"	44.97116
"183100"	454.914018	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+2Na"	45.978436
"619380"	670.876418	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+2Na"	45.978436
"1117417"	238.951618	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2Na"	45.978436
"1400936"	159.636837333333	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H+2Na"	46.985712
"1432327"	478.937546	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H+HCOOH"	47.012746
"222760"	459.94704	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+3H2O+2H"	56.04448
"1517387"	492.98959	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+IsoProp+H"	61.06479
"412698"	462.900988	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+Na+K"	61.952376
"773694"	678.863388	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+Na+K"	61.952376
"1672213"	246.938588	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Na+K"	61.952376
"255451"	927.865368	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+ACN+Na"	64.015768
"1227426"	495.940568	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+ACN+Na"	64.015768
"1714858"	495.964093	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+NH4+HCOOH"	64.039293
"1182764"	166.964151333333	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+3Na"	68.967654
"1659949"	500.919488	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Na+HCOOH"	68.994688
"163529"	940.76864	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+2K-H"	76.91904
"603089"	1372.69344	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+2K-H"	76.91904
"1090881"	508.84384	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2K-H"	76.91904
"148793"	470.887958	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"2M+2K"	77.926316
"590540"	686.850358	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"3M+2K"	77.926316
"1070678"	254.925558	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2K"	77.926316
"1101699"	510.858392	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2K+H"	78.933592
"1343553"	510.946007	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+DMSO+H"	79.021207
"1009896"	514.985176	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2ACN+H"	83.060376
"1533489"	515.978808	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+IsoProp+Na+H"	84.054008
"993379"	257.996226	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+2ACN+2H"	84.067652
"1589339"	516.893428	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+K+HCOOH"	84.968628
"1415363"	546.924938	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+H+CF3COOH"	115.000138
"1152582"	278.509501	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+3ACN+2H"	125.094202
"1697269"	563.951485	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+NH4+CF3COOH"	132.026685
"1638879"	568.90688	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+Na+CF3COOH"	136.98208
"1582186"	584.88082	"C10960"	"Triforine"	"C10H14Cl6N4O2"	"431.9248"	"M+K+CF3COOH"	152.95602
"801431"	401.0561	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M"	0
"980617"	382.03771	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-H2O-H"	-19.01839
"76514"	266.363457333333	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M-3H"	-3.021828
"513888"	400.048824	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M-3H"	-3.021828
"893881"	132.678090666667	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-3H"	-3.021828
"12455"	400.048824	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M-2H"	-2.014552
"450922"	600.576874	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M-2H"	-2.014552
"826538"	199.520774	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-2H"	-2.014552
"89810"	801.104924	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M-H"	-1.007276
"527184"	1202.161024	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M-H"	-1.007276
"903891"	400.048824	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-H"	-1.007276
"59359"	818.131471	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M-2H+NH4"	16.019271
"495639"	1219.187571	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M-2H+NH4"	16.019271
"871617"	417.075371	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-2H+NH4"	16.019271
"43526"	823.086866	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M-2H+Na"	20.974666
"479806"	1224.142966	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M-2H+Na"	20.974666
"861984"	422.030766	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-2H+Na"	20.974666
"1620583"	422.030766	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Na-2H"	20.974666
"100393"	418.037163	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M-H+Cl"	33.962126
"538131"	618.565213	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M-H+Cl"	33.962126
"929458"	217.509113	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-H+Cl"	33.962126
"276407"	837.081602	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+Cl"	34.969402
"666641"	1238.137702	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+Cl"	34.969402
"1273091"	436.025502	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Cl"	34.969402
"16012"	839.060806	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M-2H+K"	36.948606
"455798"	1240.116906	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M-2H+K"	36.948606
"833616"	438.004706	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-2H+K"	36.948606
"1559173"	438.004706	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+K-2H"	36.948606
"942905"	446.054294	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-H+HCOOH"	44.998194
"364175"	847.110401	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+HCOOH-H"	44.998201
"346064"	861.126051	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+Hac-H"	59.013851
"1494095"	460.069951	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Hac-H"	59.013851
"963339"	468.036251	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-H+NaCOOH"	66.980151
"117717"	436.025502	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+2Cl"	69.938804
"553994"	636.553552	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+2Cl"	69.938804
"1026075"	235.497452	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2Cl"	69.938804
"1243467"	479.974985	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Br"	78.918885
"1309199"	482.030972	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Cl+HCOOH"	80.974872
"1321958"	504.012929	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Cl+NaCOOH"	102.956829
"913746"	514.041686	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M-H+CF3COOH"	112.985586
"1299933"	550.018364	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Cl+CF3COOH"	148.962264
"1377002"	366.043424	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H-2H2O"	-35.012676
"1390124"	384.0534	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H-H2O"	-17.0027
"293091"	803.119476	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+H"	1.007276
"681138"	1204.175576	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+H"	1.007276
"1357486"	402.063376	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H"	1.007276
"130376"	402.063376	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+2H"	2.014552
"572124"	602.591426	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+2H"	2.014552
"1041286"	201.535326	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2H"	2.014552
"212469"	268.378009333333	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+3H"	3.021828
"654946"	402.063376	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+3H"	3.021828
"1173070"	134.692642666667	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+3H"	3.021828
"431967"	820.146023	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+NH4"	18.033823
"794059"	1221.202123	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+NH4"	18.033823
"1691484"	419.089923	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+NH4"	18.033823
"335387"	410.5766495	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+H+NH4"	19.041099
"728901"	611.1046995	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+H+NH4"	19.041099
"1480534"	210.0485995	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H+NH4"	19.041099
"394839"	825.101418	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+Na"	22.989218
"757290"	1226.157518	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+Na"	22.989218
"1604173"	424.045318	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Na"	22.989218
"316149"	413.054347	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+H+Na"	23.996494
"711868"	613.582397	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+H+Na"	23.996494
"1464593"	212.526297	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H+Na"	23.996494
"1063324"	142.019956666667	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2H+Na"	25.00377
"1265004"	434.089586	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+CH3OH+H"	33.033486
"385763"	841.075358	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+K"	38.963158
"743473"	1242.131458	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+K"	38.963158
"1546621"	440.019258	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+K"	38.963158
"303796"	421.041317	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+H+K"	39.970434
"698407"	621.569367	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+H+K"	39.970434
"1454414"	220.513267	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H+K"	39.970434
"246295"	844.146026	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+ACN+H"	42.033826
"1219006"	443.089926	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+ACN+H"	42.033826
"1203982"	222.048601	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+ACN+2H"	43.041102
"197947"	847.08336	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+2Na-H"	44.97116
"637509"	1248.13946	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+2Na-H"	44.97116
"1138826"	446.02726	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2Na-H"	44.97116
"183210"	424.045318	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+2Na"	45.978436
"618395"	624.573368	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+2Na"	45.978436
"1117891"	223.517268	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2Na"	45.978436
"1400682"	149.347270666667	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H+2Na"	46.985712
"1431341"	448.068846	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H+HCOOH"	47.012746
"221040"	429.07834	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+3H2O+2H"	56.04448
"1517497"	462.12089	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+IsoProp+H"	61.06479
"412808"	432.032288	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+Na+K"	61.952376
"774898"	632.560338	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+Na+K"	61.952376
"1670136"	231.504238	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Na+K"	61.952376
"255562"	866.127968	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+ACN+Na"	64.015768
"1227900"	465.071868	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+ACN+Na"	64.015768
"1714968"	465.095393	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+NH4+HCOOH"	64.039293
"1181417"	156.674584666667	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+3Na"	68.967654
"1655686"	470.050788	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Na+HCOOH"	68.994688
"160359"	879.03124	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+2K-H"	76.91904
"603199"	1280.08734	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+2K-H"	76.91904
"1090991"	477.97514	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2K-H"	76.91904
"146717"	440.019258	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"2M+2K"	77.926316
"587370"	640.547308	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"3M+2K"	77.926316
"1074069"	239.491208	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2K"	77.926316
"1102902"	479.989692	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2K+H"	78.933592
"1341474"	480.077307	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+DMSO+H"	79.021207
"1013287"	484.116476	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2ACN+H"	83.060376
"1533599"	485.110108	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+IsoProp+Na+H"	84.054008
"993489"	242.561876	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+2ACN+2H"	84.067652
"1588356"	486.024728	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+K+HCOOH"	84.968628
"1415472"	516.056238	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+H+CF3COOH"	115.000138
"1152692"	263.075151	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+3ACN+2H"	125.094202
"1697867"	533.082785	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+NH4+CF3COOH"	132.026685
"1636802"	538.03818	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+Na+CF3COOH"	136.98208
"1582296"	554.01212	"C10961"	"Triasulfuron"	"C14H16ClN5O5S"	"401.0561"	"M+K+CF3COOH"	152.95602
"809380"	395.09	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M"	0
"980727"	376.07161	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-H2O-H"	-19.01839
"74437"	262.386057333333	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M-3H"	-3.021828
"517279"	394.082724	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M-3H"	-3.021828
"894599"	130.689390666667	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-3H"	-3.021828
"11471"	394.082724	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M-2H"	-2.014552
"449939"	591.627724	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M-2H"	-2.014552
"826648"	196.537724	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-2H"	-2.014552
"89921"	789.172724	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M-H"	-1.007276
"530575"	1184.262724	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M-H"	-1.007276
"905096"	394.082724	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-H"	-1.007276
"62144"	806.199271	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M-2H+NH4"	16.019271
"499029"	1201.289271	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M-2H+NH4"	16.019271
"875736"	411.109271	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-2H+NH4"	16.019271
"44729"	811.154666	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M-2H+Na"	20.974666
"482103"	1206.244666	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M-2H+Na"	20.974666
"863554"	416.064666	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-2H+Na"	20.974666
"1632719"	416.064666	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Na-2H"	20.974666
"107066"	412.071063	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M-H+Cl"	33.962126
"541159"	609.616063	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M-H+Cl"	33.962126
"931393"	214.526063	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-H+Cl"	33.962126
"276517"	825.149402	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+Cl"	34.969402
"670031"	1220.239402	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+Cl"	34.969402
"1278066"	430.059402	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Cl"	34.969402
"21715"	827.128606	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M-2H+K"	36.948606
"461273"	1222.218606	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M-2H+K"	36.948606
"836888"	432.038606	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-2H+K"	36.948606
"1560377"	432.038606	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+K-2H"	36.948606
"949354"	440.088194	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-H+HCOOH"	44.998194
"367567"	835.178201	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+HCOOH-H"	44.998201
"347196"	849.193851	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+Hac-H"	59.013851
"1494083"	454.103851	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Hac-H"	59.013851
"968553"	462.070151	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-H+NaCOOH"	66.980151
"124388"	430.059402	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+2Cl"	69.938804
"557387"	627.604402	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+2Cl"	69.938804
"1029465"	232.514402	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2Cl"	69.938804
"1244672"	474.008885	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Br"	78.918885
"1309311"	476.064872	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Cl+HCOOH"	80.974872
"1322434"	498.046829	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Cl+NaCOOH"	102.956829
"916773"	508.075586	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M-H+CF3COOH"	112.985586
"1302229"	544.052264	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Cl+CF3COOH"	148.962264
"1382099"	360.077324	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H-2H2O"	-35.012676
"1395338"	378.0873	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H-H2O"	-17.0027
"297578"	791.187276	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+H"	1.007276
"685622"	1186.277276	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+H"	1.007276
"1364159"	396.097276	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H"	1.007276
"139236"	396.097276	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+2H"	2.014552
"572233"	593.642276	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+2H"	2.014552
"1046500"	198.552276	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2H"	2.014552
"212215"	264.400609333333	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+3H"	3.021828
"653962"	396.097276	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+3H"	3.021828
"1175368"	132.703942666667	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+3H"	3.021828
"434264"	808.213823	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+NH4"	18.033823
"793441"	1203.303823	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+NH4"	18.033823
"1690500"	413.123823	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+NH4"	18.033823
"335497"	404.6105495	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+H+NH4"	19.041099
"727918"	602.1555495	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+H+NH4"	19.041099
"1481738"	207.0655495	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H+NH4"	19.041099
"395314"	813.169218	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+Na"	22.989218
"757764"	1208.259218	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+Na"	22.989218
"1604409"	418.079218	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Na"	22.989218
"315537"	407.088247	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+H+Na"	23.996494
"709791"	604.633247	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+H+Na"	23.996494
"1465798"	209.543247	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H+Na"	23.996494
"1067081"	140.031256666667	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2H+Na"	25.00377
"1266203"	428.123486	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+CH3OH+H"	33.033486
"383684"	829.143158	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+K"	38.963158
"751243"	1224.233158	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+K"	38.963158
"1551109"	434.053158	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+K"	38.963158
"309378"	415.075217	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+H+K"	39.970434
"697423"	612.620217	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+H+K"	39.970434
"1455618"	217.530217	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H+K"	39.970434
"246406"	832.213826	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+ACN+H"	42.033826
"1219117"	437.123826	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+ACN+H"	42.033826
"1200811"	219.065551	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+ACN+2H"	43.041102
"196964"	835.15116	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+2Na-H"	44.97116
"638712"	1230.24116	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+2Na-H"	44.97116
"1140030"	440.06116	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2Na-H"	44.97116
"182227"	418.079218	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+2Na"	45.978436
"619600"	615.624218	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+2Na"	45.978436
"1119093"	220.534218	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2Na"	45.978436
"1401159"	147.358570666667	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H+2Na"	46.985712
"1431459"	442.102746	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H+HCOOH"	47.012746
"221156"	423.11224	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+3H2O+2H"	56.04448
"1518700"	456.15479	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+IsoProp+H"	61.06479
"417294"	426.066188	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+Na+K"	61.952376
"777194"	623.611188	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+Na+K"	61.952376
"1668421"	228.521188	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Na+K"	61.952376
"252389"	854.195768	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+ACN+Na"	64.015768
"1229473"	459.105768	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+ACN+Na"	64.015768
"1716173"	459.129293	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+NH4+HCOOH"	64.039293
"1185902"	154.685884666667	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+3Na"	68.967654
"1664915"	464.084688	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Na+HCOOH"	68.994688
"164844"	867.09904	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+2K-H"	76.91904
"609871"	1262.18904	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+2K-H"	76.91904
"1092197"	472.00904	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2K-H"	76.91904
"153388"	434.053158	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"2M+2K"	77.926316
"592948"	631.598158	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"3M+2K"	77.926316
"1073086"	236.508158	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2K"	77.926316
"1103012"	474.023592	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2K+H"	78.933592
"1336842"	474.111207	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+DMSO+H"	79.021207
"1016678"	478.150376	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2ACN+H"	83.060376
"1529336"	479.144008	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+IsoProp+Na+H"	84.054008
"994692"	239.578826	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+2ACN+2H"	84.067652
"1590289"	480.058628	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+K+HCOOH"	84.968628
"1415218"	510.090138	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+H+CF3COOH"	115.000138
"1154988"	260.092101	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+3ACN+2H"	125.094202
"1699070"	527.116685	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+NH4+CF3COOH"	132.026685
"1639099"	532.07208	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+Na+CF3COOH"	136.98208
"1582406"	548.04602	"C10962"	"Tribenuron methyl;Tribenuron-methyl"	"C15H17N5O6S"	"395.09"	"M+K+CF3COOH"	152.95602
"803293"	216.0666	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M"	0
"979743"	197.04821	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-H2O-H"	-19.01839
"74548"	143.037124	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M-3H"	-3.021828
"514108"	215.059324	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M-3H"	-3.021828
"893007"	71.014924	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-3H"	-3.021828
"8300"	215.059324	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M-2H"	-2.014552
"455153"	323.092624	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M-2H"	-2.014552
"823477"	107.026024	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-2H"	-2.014552
"83468"	431.125924	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M-H"	-1.007276
"524120"	647.192524	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M-H"	-1.007276
"901923"	215.059324	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-H"	-1.007276
"57391"	448.152471	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M-2H+NH4"	16.019271
"498043"	664.219071	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M-2H+NH4"	16.019271
"873658"	232.085871	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-2H+NH4"	16.019271
"41558"	453.107866	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M-2H+Na"	20.974666
"480026"	669.174466	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M-2H+Na"	20.974666
"861107"	237.041266	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-2H+Na"	20.974666
"1629548"	237.041266	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Na-2H"	20.974666
"100611"	233.047663	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M-H+Cl"	33.962126
"540176"	341.080963	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M-H+Cl"	33.962126
"931139"	125.014363	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-H+Cl"	33.962126
"279908"	467.102602	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+Cl"	34.969402
"671235"	683.169202	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+Cl"	34.969402
"1275989"	251.036002	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Cl"	34.969402
"18544"	469.081806	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M-2H+K"	36.948606
"461382"	685.148406	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M-2H+K"	36.948606
"834811"	253.015206	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-2H+K"	36.948606
"1560486"	253.015206	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+K-2H"	36.948606
"948369"	261.064794	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-H+HCOOH"	44.998194
"367677"	477.131401	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+HCOOH-H"	44.998201
"347670"	491.147051	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+Hac-H"	59.013851
"1494315"	275.080451	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Hac-H"	59.013851
"964653"	283.046751	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-H+NaCOOH"	66.980151
"117935"	251.036002	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+2Cl"	69.938804
"556402"	359.069302	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+2Cl"	69.938804
"1027387"	143.002702	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2Cl"	69.938804
"1245145"	294.985485	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Br"	78.918885
"1311607"	297.041472	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Cl+HCOOH"	80.974872
"1328011"	319.023429	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Cl+NaCOOH"	102.956829
"920163"	329.052186	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M-H+CF3COOH"	112.985586
"1299060"	365.028864	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Cl+CF3COOH"	148.962264
"1381844"	181.053924	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H-2H2O"	-35.012676
"1395812"	199.0639	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H-H2O"	-17.0027
"297685"	433.140476	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+H"	1.007276
"685732"	649.207076	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+H"	1.007276
"1366456"	217.073876	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H"	1.007276
"137159"	217.073876	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+2H"	2.014552
"573436"	325.107176	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+2H"	2.014552
"1044788"	109.040576	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2H"	2.014552
"211231"	145.051676	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+3H"	3.021828
"648970"	217.073876	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+3H"	3.021828
"1170011"	73.029476	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+3H"	3.021828
"431094"	450.167023	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+NH4"	18.033823
"790267"	666.233623	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+NH4"	18.033823
"1688424"	234.100423	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+NH4"	18.033823
"335607"	225.5871495	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+H+NH4"	19.041099
"724748"	333.6204495	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+H+NH4"	19.041099
"1479295"	117.5538495	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H+NH4"	19.041099
"395423"	455.122418	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+Na"	22.989218
"758237"	671.189018	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+Na"	22.989218
"1605122"	239.055818	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Na"	22.989218
"315889"	228.064847	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+H+Na"	23.996494
"709901"	336.098147	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+H+Na"	23.996494
"1463722"	120.031547	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H+Na"	23.996494
"1061351"	80.35679	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2H+Na"	25.00377
"1265215"	249.100086	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+CH3OH+H"	33.033486
"385981"	471.096358	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+K"	38.963158
"751353"	687.162958	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+K"	38.963158
"1549031"	255.029758	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+K"	38.963158
"309488"	236.051817	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+H+K"	39.970434
"701907"	344.085117	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+H+K"	39.970434
"1455728"	128.018517	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H+K"	39.970434
"248703"	474.167026	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+ACN+H"	42.033826
"1219227"	258.100426	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+ACN+H"	42.033826
"1202015"	129.553851	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+ACN+2H"	43.041102
"197075"	477.10436	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+2Na-H"	44.97116
"641009"	693.17096	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+2Na-H"	44.97116
"1145608"	261.03776	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2Na-H"	44.97116
"183431"	239.055818	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+2Na"	45.978436
"624084"	347.089118	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+2Na"	45.978436
"1121389"	131.022518	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2Na"	45.978436
"1402362"	87.684104	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H+2Na"	46.985712
"1433020"	263.079346	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H+HCOOH"	47.012746
"224182"	244.08884	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+3H2O+2H"	56.04448
"1523550"	277.13139	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+IsoProp+H"	61.06479
"420684"	247.042788	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+Na+K"	61.952376
"778399"	355.076088	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+Na+K"	61.952376
"1670356"	139.009488	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Na+K"	61.952376
"252134"	496.148968	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+ACN+Na"	64.015768
"1229583"	280.082368	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+ACN+Na"	64.015768
"1719564"	280.105893	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+NH4+HCOOH"	64.039293
"1183825"	95.011418	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+3Na"	68.967654
"1665026"	285.061288	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Na+HCOOH"	68.994688
"172371"	509.05224	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+2K-H"	76.91904
"605608"	725.11884	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+2K-H"	76.91904
"1090120"	292.98564	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2K-H"	76.91904
"150218"	255.029758	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"2M+2K"	77.926316
"586496"	363.063058	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"3M+2K"	77.926316
"1071007"	146.996458	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2K"	77.926316
"1105309"	295.000192	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2K+H"	78.933592
"1339505"	295.087807	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+DMSO+H"	79.021207
"1013507"	299.126976	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2ACN+H"	83.060376
"1531634"	300.120608	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+IsoProp+Na+H"	84.054008
"994802"	150.067126	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+2ACN+2H"	84.067652
"1591493"	301.035228	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+K+HCOOH"	84.968628
"1416056"	331.066738	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+H+CF3COOH"	115.000138
"1149630"	170.580401	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+3ACN+2H"	125.094202
"1698087"	348.093285	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+NH4+CF3COOH"	132.026685
"1637022"	353.04868	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+Na+CF3COOH"	136.98208
"1582516"	369.02262	"C10963"	"Terbacil"	"C9H13ClN2O2"	"216.0666"	"M+K+CF3COOH"	152.95602
"811790"	259.0167	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M"	0
"978761"	239.99831	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-H2O-H"	-19.01839
"75753"	171.670524	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M-3H"	-3.021828
"514952"	258.009424	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M-3H"	-3.021828
"888743"	85.331624	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-3H"	-3.021828
"6221"	258.009424	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M-2H"	-2.014552
"446880"	387.517774	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M-2H"	-2.014552
"822495"	128.501074	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-2H"	-2.014552
"81755"	517.026124	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M-H"	-1.007276
"524230"	776.042824	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M-H"	-1.007276
"902031"	258.009424	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-H"	-1.007276
"49479"	534.052671	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M-2H+NH4"	16.019271
"497059"	793.069371	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M-2H+NH4"	16.019271
"876686"	275.035971	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-2H+NH4"	16.019271
"39481"	539.008066	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M-2H+Na"	20.974666
"480136"	798.024766	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M-2H+Na"	20.974666
"857937"	279.991366	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-2H+Na"	20.974666
"1627471"	279.991366	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Na-2H"	20.974666
"97076"	275.997763	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M-H+Cl"	33.962126
"539191"	405.506113	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M-H+Cl"	33.962126
"930521"	146.489413	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-H+Cl"	33.962126
"280018"	553.002802	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+Cl"	34.969402
"672438"	812.019502	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+Cl"	34.969402
"1286306"	293.986102	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Cl"	34.969402
"20841"	554.982006	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M-2H+K"	36.948606
"457240"	813.998706	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M-2H+K"	36.948606
"834921"	295.965306	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-2H+K"	36.948606
"1560596"	295.965306	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+K-2H"	36.948606
"947386"	304.014894	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-H+HCOOH"	44.998194
"367787"	563.031601	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+HCOOH-H"	44.998201
"352763"	577.047251	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+Hac-H"	59.013851
"1498314"	318.030551	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Hac-H"	59.013851
"970232"	325.996851	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-H+NaCOOH"	66.980151
"118045"	293.986102	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+2Cl"	69.938804
"556512"	423.494452	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+2Cl"	69.938804
"1025310"	164.477752	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2Cl"	69.938804
"1245983"	337.935585	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Br"	78.918885
"1314998"	339.991572	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Cl+HCOOH"	80.974872
"1321560"	361.973529	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Cl+NaCOOH"	102.956829
"920273"	372.002286	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M-H+CF3COOH"	112.985586
"1301357"	407.978964	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Cl+CF3COOH"	148.962264
"1381711"	224.004024	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H-2H2O"	-35.012676
"1395922"	242.014	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H-H2O"	-17.0027
"297431"	519.040676	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+H"	1.007276
"685842"	778.057376	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+H"	1.007276
"1364015"	260.023976	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H"	1.007276
"135079"	260.023976	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+2H"	2.014552
"570631"	389.532326	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+2H"	2.014552
"1042346"	130.515626	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2H"	2.014552
"209155"	173.685076	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+3H"	3.021828
"647257"	260.023976	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+3H"	3.021828
"1169028"	87.346176	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+3H"	3.021828
"431205"	536.067223	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+NH4"	18.033823
"790377"	795.083923	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+NH4"	18.033823
"1687441"	277.050523	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+NH4"	18.033823
"335717"	268.5372495	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+H+NH4"	19.041099
"724491"	398.0455995	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+H+NH4"	19.041099
"1478431"	139.0288995	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H+NH4"	19.041099
"394073"	541.022618	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+Na"	22.989218
"756162"	800.039318	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+Na"	22.989218
"1604261"	282.005918	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Na"	22.989218
"314905"	271.014947	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+H+Na"	23.996494
"710011"	400.523297	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+H+Na"	23.996494
"1463832"	141.506597	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H+Na"	23.996494
"1063648"	94.67349	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2H+Na"	25.00377
"1264232"	292.050186	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+CH3OH+H"	33.033486
"384997"	556.996558	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+K"	38.963158
"745989"	816.013258	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+K"	38.963158
"1551327"	297.979858	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+K"	38.963158
"307411"	279.001917	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+H+K"	39.970434
"698736"	408.510267	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+H+K"	39.970434
"1454744"	149.493567	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H+K"	39.970434
"244439"	560.067226	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+ACN+H"	42.033826
"1218243"	301.050526	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+ACN+H"	42.033826
"1201031"	151.028901	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+ACN+2H"	43.041102
"196090"	563.00456	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+2Na-H"	44.97116
"633465"	822.02126	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+2Na-H"	44.97116
"1139156"	303.98786	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2Na-H"	44.97116
"182447"	282.005918	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+2Na"	45.978436
"624194"	411.514268	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+2Na"	45.978436
"1118951"	152.497568	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2Na"	45.978436
"1401014"	102.000804	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H+2Na"	46.985712
"1430943"	306.029446	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H+HCOOH"	47.012746
"224292"	287.03894	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+3H2O+2H"	56.04448
"1523539"	320.08149	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+IsoProp+H"	61.06479
"420794"	289.992888	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+Na+K"	61.952376
"778509"	419.501238	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+Na+K"	61.952376
"1671559"	160.484538	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Na+K"	61.952376
"254797"	582.049168	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+ACN+Na"	64.015768
"1231880"	323.032468	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+ACN+Na"	64.015768
"1720767"	323.055993	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+NH4+HCOOH"	64.039293
"1184299"	109.328118	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+3Na"	68.967654
"1665423"	328.011388	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Na+HCOOH"	68.994688
"172478"	594.95244	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+2K-H"	76.91904
"606811"	853.96914	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+2K-H"	76.91904
"1090230"	335.93574	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2K-H"	76.91904
"150328"	297.979858	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"2M+2K"	77.926316
"586606"	427.488208	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"3M+2K"	77.926316
"1074396"	168.471508	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2K"	77.926316
"1105420"	337.950292	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2K+H"	78.933592
"1341803"	338.037907	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+DMSO+H"	79.021207
"1012524"	342.077076	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2ACN+H"	83.060376
"1535024"	343.070708	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+IsoProp+Na+H"	84.054008
"997099"	171.542176	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+2ACN+2H"	84.067652
"1591603"	343.985328	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+K+HCOOH"	84.968628
"1416165"	374.016838	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+H+CF3COOH"	115.000138
"1149740"	192.055451	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+3ACN+2H"	125.094202
"1697467"	391.043385	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+NH4+CF3COOH"	132.026685
"1638224"	395.99878	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+Na+CF3COOH"	136.98208
"1582626"	411.97272	"C10964"	"Benoxacor"	"C11H11Cl2NO2"	"259.0167"	"M+K+CF3COOH"	152.95602
"811900"	240.0569	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M"	0
"983244"	221.03851	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-H2O-H"	-19.01839
"74769"	159.030657333333	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M-3H"	-3.021828
"517251"	239.049624	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M-3H"	-3.021828
"886664"	79.0116906666667	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-3H"	-3.021828
"7426"	239.049624	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M-2H"	-2.014552
"446990"	359.078074	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M-2H"	-2.014552
"822604"	119.021174	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-2H"	-2.014552
"84781"	479.106524	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M-H"	-1.007276
"525434"	719.163424	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M-H"	-1.007276
"904329"	239.049624	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-H"	-1.007276
"54329"	496.133071	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M-2H+NH4"	16.019271
"499116"	736.189971	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M-2H+NH4"	16.019271
"876068"	256.076171	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-2H+NH4"	16.019271
"41780"	501.088466	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M-2H+Na"	20.974666
"484621"	741.145366	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M-2H+Na"	20.974666
"858047"	261.031566	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-2H+Na"	20.974666
"1625393"	261.031566	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Na-2H"	20.974666
"96819"	257.037963	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M-H+Cl"	33.962126
"542577"	377.066413	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M-H+Cl"	33.962126
"935006"	137.009513	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-H+Cl"	33.962126
"281344"	515.083202	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+Cl"	34.969402
"674740"	755.140102	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+Cl"	34.969402
"1280582"	275.026302	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Cl"	34.969402
"19858"	517.062406	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M-2H+K"	36.948606
"456378"	757.119306	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M-2H+K"	36.948606
"833938"	277.005506	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-2H+K"	36.948606
"1560705"	277.005506	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+K-2H"	36.948606
"946403"	285.055094	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-H+HCOOH"	44.998194
"367897"	525.112001	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+HCOOH-H"	44.998201
"352873"	539.127651	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+Hac-H"	59.013851
"1497331"	299.070751	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Hac-H"	59.013851
"969249"	307.037051	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-H+NaCOOH"	66.980151
"115969"	275.026302	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+2Cl"	69.938804
"556622"	395.054752	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+2Cl"	69.938804
"1025420"	154.997852	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2Cl"	69.938804
"1246094"	318.975785	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Br"	78.918885
"1309640"	321.031772	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Cl+HCOOH"	80.974872
"1321670"	343.013729	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Cl+NaCOOH"	102.956829
"913822"	353.042486	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M-H+CF3COOH"	112.985586
"1300373"	389.019164	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Cl+CF3COOH"	148.962264
"1378537"	205.044224	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H-2H2O"	-35.012676
"1393844"	223.0542	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H-H2O"	-17.0027
"297177"	481.121076	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+H"	1.007276
"684859"	721.177976	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+H"	1.007276
"1364489"	241.064176	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H"	1.007276
"134096"	241.064176	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+2H"	2.014552
"568555"	361.092626	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+2H"	2.014552
"1039541"	121.035726	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2H"	2.014552
"207079"	161.045209333333	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+3H"	3.021828
"647367"	241.064176	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+3H"	3.021828
"1168045"	81.0262426666667	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+3H"	3.021828
"428036"	498.147623	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+NH4"	18.033823
"790122"	738.204523	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+NH4"	18.033823
"1684271"	258.090723	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+NH4"	18.033823
"332548"	249.5774495	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+H+NH4"	19.041099
"726059"	369.6058995	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+H+NH4"	19.041099
"1481336"	129.5489995	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H+NH4"	19.041099
"394548"	503.103018	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+Na"	22.989218
"757366"	743.159918	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+Na"	22.989218
"1604735"	263.046118	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Na"	22.989218
"316591"	252.055147	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+H+Na"	23.996494
"708293"	372.083597	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+H+Na"	23.996494
"1465032"	132.026697	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H+Na"	23.996494
"1054265"	88.3535566666667	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2H+Na"	25.00377
"1262156"	273.090386	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+CH3OH+H"	33.033486
"386200"	519.076958	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+K"	38.963158
"746099"	759.133858	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+K"	38.963158
"1549250"	279.020058	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+K"	38.963158
"304237"	260.042117	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+H+K"	39.970434
"695566"	380.070567	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+H+K"	39.970434
"1452668"	140.013667	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H+K"	39.970434
"244549"	522.147626	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+ACN+H"	42.033826
"1219447"	282.090726	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+ACN+H"	42.033826
"1201142"	141.549001	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+ACN+2H"	43.041102
"197295"	525.08496	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+2Na-H"	44.97116
"634667"	765.14186	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+2Na-H"	44.97116
"1134528"	285.02806	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2Na-H"	44.97116
"175997"	263.046118	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+2Na"	45.978436
"617744"	383.074568	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+2Na"	45.978436
"1116872"	143.017668	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2Na"	45.978436
"1399301"	95.6808706666667	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H+2Na"	46.985712
"1430683"	287.069646	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H+HCOOH"	47.012746
"220393"	268.07914	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+3H2O+2H"	56.04448
"1514654"	301.12169	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+IsoProp+H"	61.06479
"413249"	271.033088	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+Na+K"	61.952376
"781899"	391.061538	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+Na+K"	61.952376
"1669481"	151.004638	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Na+K"	61.952376
"253814"	544.129568	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+ACN+Na"	64.015768
"1231990"	304.072668	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+ACN+Na"	64.015768
"1720149"	304.096193	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+NH4+HCOOH"	64.039293
"1184046"	103.008184666667	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+3Na"	68.967654
"1665247"	309.051588	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Na+HCOOH"	68.994688
"172550"	557.03284	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+2K-H"	76.91904
"608015"	797.08974	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+2K-H"	76.91904
"1094714"	316.97594	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2K-H"	76.91904
"151531"	279.020058	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"2M+2K"	77.926316
"591090"	399.048508	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"3M+2K"	77.926316
"1073414"	158.991608	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2K"	77.926316
"1107717"	318.990492	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2K+H"	78.933592
"1341914"	319.078107	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+DMSO+H"	79.021207
"1015914"	323.117276	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2ACN+H"	83.060376
"1535134"	324.110908	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+IsoProp+Na+H"	84.054008
"995022"	162.062276	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+2ACN+2H"	84.067652
"1592805"	325.025528	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+K+HCOOH"	84.968628
"1423932"	355.057038	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+H+CF3COOH"	115.000138
"1149850"	182.575551	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+3ACN+2H"	125.094202
"1697454"	372.083585	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+NH4+CF3COOH"	132.026685
"1634320"	377.03898	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+Na+CF3COOH"	136.98208
"1573988"	393.01292	"C10965"	"Bentazone"	"C10H12N2O3S"	"240.0569"	"M+K+CF3COOH"	152.95602
"813103"	334.0907	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M"	0
"980074"	315.07231	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-H2O-H"	-19.01839
"69411"	221.719857333333	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M-3H"	-3.021828
"513348"	333.083424	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M-3H"	-3.021828
"885681"	110.356290666667	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-3H"	-3.021828
"5348"	333.083424	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M-2H"	-2.014552
"441995"	500.128774	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M-2H"	-2.014552
"819067"	166.038074	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-2H"	-2.014552
"84161"	667.174124	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M-H"	-1.007276
"523721"	1001.264824	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M-H"	-1.007276
"900428"	333.083424	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-H"	-1.007276
"51522"	684.200671	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M-2H+NH4"	16.019271
"499226"	1018.291371	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M-2H+NH4"	16.019271
"876175"	350.109971	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-2H+NH4"	16.019271
"40796"	689.156066	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M-2H+Na"	20.974666
"485095"	1023.246766	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M-2H+Na"	20.974666
"855242"	355.065366	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-2H+Na"	20.974666
"1622590"	355.065366	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Na-2H"	20.974666
"98021"	351.071763	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M-H+Cl"	33.962126
"542686"	518.117113	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M-H+Cl"	33.962126
"934023"	184.026413	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-H+Cl"	33.962126
"280847"	703.150802	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+Cl"	34.969402
"673755"	1037.241502	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+Cl"	34.969402
"1280689"	369.060102	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Cl"	34.969402
"18873"	705.130006	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M-2H+K"	36.948606
"457581"	1039.220706	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M-2H+K"	36.948606
"837328"	371.039306	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-2H+K"	36.948606
"1560815"	371.039306	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+K-2H"	36.948606
"946513"	379.088894	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-H+HCOOH"	44.998194
"364727"	713.179601	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+HCOOH-H"	44.998201
"346543"	727.195251	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+Hac-H"	59.013851
"1497441"	393.104551	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Hac-H"	59.013851
"968265"	401.070851	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-H+NaCOOH"	66.980151
"114985"	369.060102	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+2Cl"	69.938804
"553452"	536.105452	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+2Cl"	69.938804
"1027717"	202.014752	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2Cl"	69.938804
"1245110"	413.009585	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Br"	78.918885
"1310843"	415.065572	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Cl+HCOOH"	80.974872
"1321780"	437.047529	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Cl+NaCOOH"	102.956829
"913932"	447.076286	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M-H+CF3COOH"	112.985586
"1299026"	483.052964	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Cl+CF3COOH"	148.962264
"1379011"	299.078024	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H-2H2O"	-35.012676
"1391767"	317.088	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H-H2O"	-17.0027
"295466"	669.188676	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+H"	1.007276
"684969"	1003.279376	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+H"	1.007276
"1361319"	335.097976	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H"	1.007276
"130925"	335.097976	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+2H"	2.014552
"567570"	502.143326	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+2H"	2.014552
"1038558"	168.052626	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2H"	2.014552
"206095"	223.734409333333	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+3H"	3.021828
"646019"	335.097976	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+3H"	3.021828
"1164508"	112.370842666667	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+3H"	3.021828
"429238"	686.215223	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+NH4"	18.033823
"790232"	1020.305923	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+NH4"	18.033823
"1685474"	352.124523	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+NH4"	18.033823
"333751"	343.6112495	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+H+NH4"	19.041099
"726897"	510.6565995	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+H+NH4"	19.041099
"1481081"	176.5658995	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H+NH4"	19.041099
"396116"	691.170618	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+Na"	22.989218
"758569"	1025.261318	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+Na"	22.989218
"1606670"	357.079918	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Na"	22.989218
"316342"	346.088947	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+H+Na"	23.996494
"707912"	513.134297	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+H+Na"	23.996494
"1464049"	179.043597	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H+Na"	23.996494
"1054011"	119.698156666667	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2H+Na"	25.00377
"1262266"	367.124186	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+CH3OH+H"	33.033486
"386311"	707.144558	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+K"	38.963158
"745116"	1041.235258	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+K"	38.963158
"1547170"	373.053858	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+K"	38.963158
"303615"	354.075917	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+H+K"	39.970434
"695310"	521.121267	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+H+K"	39.970434
"1450225"	187.030567	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H+K"	39.970434
"240283"	710.215226	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+ACN+H"	42.033826
"1216277"	376.124526	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+ACN+H"	42.033826
"1200159"	188.565901	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+ACN+2H"	43.041102
"194124"	713.15256	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+2Na-H"	44.97116
"632955"	1047.24326	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+2Na-H"	44.97116
"1135366"	379.06186	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2Na-H"	44.97116
"173915"	357.079918	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+2Na"	45.978436
"617852"	524.125268	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+2Na"	45.978436
"1118804"	190.034568	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2Na"	45.978436
"1399774"	127.025470666667	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H+2Na"	46.985712
"1430429"	381.103446	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H+HCOOH"	47.012746
"220621"	362.11294	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+3H2O+2H"	56.04448
"1511484"	395.15549	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+IsoProp+H"	61.06479
"413359"	365.066888	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+Na+K"	61.952376
"775448"	532.112238	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+Na+K"	61.952376
"1668498"	198.021538	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Na+K"	61.952376
"253924"	732.197168	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+ACN+Na"	64.015768
"1229914"	398.106468	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+ACN+Na"	64.015768
"1720259"	398.129993	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+NH4+HCOOH"	64.039293
"1184520"	134.352784666667	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+3Na"	68.967654
"1664870"	403.085388	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Na+HCOOH"	68.994688
"170752"	745.10044	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+2K-H"	76.91904
"608125"	1079.19114	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+2K-H"	76.91904
"1092637"	411.00974	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2K-H"	76.91904
"150548"	373.053858	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"2M+2K"	77.926316
"591200"	540.099208	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"3M+2K"	77.926316
"1073524"	206.008508	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2K"	77.926316
"1106733"	413.024292	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2K+H"	78.933592
"1342024"	413.111907	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+DMSO+H"	79.021207
"1011650"	417.151076	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2ACN+H"	83.060376
"1528684"	418.144708	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+IsoProp+Na+H"	84.054008
"994039"	209.079176	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+2ACN+2H"	84.067652
"1588907"	419.059328	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+K+HCOOH"	84.968628
"1418574"	449.090838	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+H+CF3COOH"	115.000138
"1149960"	229.592451	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+3ACN+2H"	125.094202
"1697685"	466.117385	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+NH4+CF3COOH"	132.026685
"1634282"	471.07278	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+Na+CF3COOH"	136.98208
"1573005"	487.04672	"C10966"	"Chlorpromazine N-oxide"	"C17H19ClN2OS"	"334.0907"	"M+K+CF3COOH"	152.95602
"813215"	309.1641	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M"	0
"986746"	290.14571	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-H2O-H"	-19.01839
"76082"	205.102124	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M-3H"	-3.021828
"515645"	308.156824	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M-3H"	-3.021828
"889074"	102.047424	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-3H"	-3.021828
"7645"	308.156824	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M-2H"	-2.014552
"443928"	462.738874	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M-2H"	-2.014552
"822822"	153.574774	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-2H"	-2.014552
"83908"	617.320924	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M-H"	-1.007276
"525653"	926.485024	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M-H"	-1.007276
"902726"	308.156824	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-H"	-1.007276
"53819"	634.347471	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M-2H+NH4"	16.019271
"501401"	943.511571	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M-2H+NH4"	16.019271
"876285"	325.183371	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-2H+NH4"	16.019271
"38719"	639.302866	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M-2H+Na"	20.974666
"482653"	948.466966	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M-2H+Na"	20.974666
"857174"	330.138766	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-2H+Na"	20.974666
"1627802"	330.138766	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Na-2H"	20.974666
"96670"	326.145163	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M-H+Cl"	33.962126
"539516"	480.727213	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M-H+Cl"	33.962126
"929021"	171.563113	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-H+Cl"	33.962126
"280960"	653.297602	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+Cl"	34.969402
"673501"	962.461702	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+Cl"	34.969402
"1280799"	344.133502	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Cl"	34.969402
"16188"	655.276806	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M-2H+K"	36.948606
"465107"	964.440906	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M-2H+K"	36.948606
"834159"	346.112706	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-2H+K"	36.948606
"1559835"	346.112706	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+K-2H"	36.948606
"944436"	354.162294	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-H+HCOOH"	44.998194
"364837"	663.326401	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+HCOOH-H"	44.998201
"352002"	677.342051	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+Hac-H"	59.013851
"1499741"	368.177951	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Hac-H"	59.013851
"962910"	376.144251	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-H+NaCOOH"	66.980151
"115098"	344.133502	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+2Cl"	69.938804
"555750"	498.715552	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+2Cl"	69.938804
"1024552"	189.551452	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2Cl"	69.938804
"1241982"	388.082985	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Br"	78.918885
"1309860"	390.138972	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Cl+HCOOH"	80.974872
"1325170"	412.120929	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Cl+NaCOOH"	102.956829
"917321"	422.149686	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M-H+CF3COOH"	112.985586
"1298406"	458.126364	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Cl+CF3COOH"	148.962264
"1381073"	274.151424	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H-2H2O"	-35.012676
"1396617"	292.1614	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H-H2O"	-17.0027
"295946"	619.335476	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+H"	1.007276
"689095"	928.499576	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+H"	1.007276
"1364712"	310.171376	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H"	1.007276
"139057"	310.171376	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+2H"	2.014552
"573881"	464.753426	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+2H"	2.014552
"1042680"	155.589326	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2H"	2.014552
"207299"	207.116676	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+3H"	3.021828
"649047"	310.171376	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+3H"	3.021828
"1166078"	104.061976	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+3H"	3.021828
"430440"	636.362023	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+NH4"	18.033823
"789251"	945.526123	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+NH4"	18.033823
"1686307"	327.197923	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+NH4"	18.033823
"334226"	318.6846495	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+H+NH4"	19.041099
"726648"	473.2666995	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+H+NH4"	19.041099
"1481558"	164.1025995	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H+NH4"	19.041099
"394772"	641.317418	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+Na"	22.989218
"755766"	950.481518	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+Na"	22.989218
"1605687"	332.153318	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Na"	22.989218
"314997"	321.162347	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+H+Na"	23.996494
"707495"	475.744397	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+H+Na"	23.996494
"1465253"	166.580297	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H+Na"	23.996494
"1054125"	111.38929	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2H+Na"	25.00377
"1262375"	342.197586	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+CH3OH+H"	33.033486
"384234"	657.291358	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+K"	38.963158
"746321"	966.455458	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+K"	38.963158
"1548374"	348.127258	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+K"	38.963158
"304455"	329.149317	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+H+K"	39.970434
"696873"	483.731367	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+H+K"	39.970434
"1450701"	174.567267	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H+K"	39.970434
"243676"	660.362026	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+ACN+H"	42.033826
"1217480"	351.197926	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+ACN+H"	42.033826
"1202456"	176.102601	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+ACN+2H"	43.041102
"194235"	663.29936	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+2Na-H"	44.97116
"633794"	972.46346	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+2Na-H"	44.97116
"1137663"	354.13526	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2Na-H"	44.97116
"176943"	332.153318	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+2Na"	45.978436
"621244"	486.735368	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+2Na"	45.978436
"1121466"	177.571268	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2Na"	45.978436
"1400616"	118.716604	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H+2Na"	46.985712
"1430542"	356.176846	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H+HCOOH"	47.012746
"220610"	337.18634	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+3H2O+2H"	56.04448
"1511958"	370.22889	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+IsoProp+H"	61.06479
"413469"	340.140288	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+Na+K"	61.952376
"774465"	494.722338	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+Na+K"	61.952376
"1668608"	185.558238	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Na+K"	61.952376
"256221"	682.343968	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+ACN+Na"	64.015768
"1233304"	373.179868	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+ACN+Na"	64.015768
"1720369"	373.203393	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+NH4+HCOOH"	64.039293
"1182807"	126.043918	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+3Na"	68.967654
"1664254"	378.158788	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Na+HCOOH"	68.994688
"170862"	695.24724	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+2K-H"	76.91904
"609329"	1004.41134	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+2K-H"	76.91904
"1097121"	386.08314	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2K-H"	76.91904
"156371"	348.127258	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"2M+2K"	77.926316
"591310"	502.709308	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"3M+2K"	77.926316
"1075822"	193.545208	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2K"	77.926316
"1107937"	388.097692	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2K+H"	78.933592
"1343228"	388.185307	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+DMSO+H"	79.021207
"1012854"	392.224476	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2ACN+H"	83.060376
"1533168"	393.218108	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+IsoProp+Na+H"	84.054008
"998523"	196.615876	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+2ACN+2H"	84.067652
"1590839"	394.132728	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+K+HCOOH"	84.968628
"1417591"	424.164238	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+H+CF3COOH"	115.000138
"1151163"	217.129151	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+3ACN+2H"	125.094202
"1698526"	441.190785	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+NH4+CF3COOH"	132.026685
"1636732"	446.14618	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+Na+CF3COOH"	136.98208
"1574208"	462.12012	"C10967"	"Fluperlapine"	"C19H20FN3"	"309.1641"	"M+K+CF3COOH"	152.95602
"816523"	204.0899	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M"	0
"986855"	185.07151	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-H2O-H"	-19.01839
"77285"	135.052657333333	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M-3H"	-3.021828
"517939"	203.082624	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M-3H"	-3.021828
"891371"	67.0226906666667	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-3H"	-3.021828
"11036"	203.082624	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M-2H"	-2.014552
"452784"	305.127574	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M-2H"	-2.014552
"825119"	101.037674	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-2H"	-2.014552
"85111"	407.172524	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M-H"	-1.007276
"522483"	611.262424	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M-H"	-1.007276
"903565"	203.082624	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-H"	-1.007276
"52472"	424.199071	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M-2H+NH4"	16.019271
"499687"	628.288971	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M-2H+NH4"	16.019271
"872023"	220.109171	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-2H+NH4"	16.019271
"42109"	429.154466	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M-2H+Na"	20.974666
"478389"	633.244366	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M-2H+Na"	20.974666
"856192"	225.064566	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-2H+Na"	20.974666
"1629004"	225.064566	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Na-2H"	20.974666
"98972"	221.070963	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M-H+Cl"	33.962126
"537438"	323.115913	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M-H+Cl"	33.962126
"929491"	119.026013	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-H+Cl"	33.962126
"270608"	443.149202	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+Cl"	34.969402
"674705"	647.239102	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+Cl"	34.969402
"1280909"	239.059302	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Cl"	34.969402
"16540"	445.128406	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M-2H+K"	36.948606
"459748"	649.218306	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M-2H+K"	36.948606
"834025"	241.038506	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-2H+K"	36.948606
"1556665"	241.038506	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+K-2H"	36.948606
"944547"	249.088094	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-H+HCOOH"	44.998194
"370416"	453.178001	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+HCOOH-H"	44.998201
"352114"	467.193651	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+Hac-H"	59.013851
"1497666"	263.103751	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Hac-H"	59.013851
"968488"	271.070051	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-H+NaCOOH"	66.980151
"114114"	239.059302	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+2Cl"	69.938804
"555860"	341.104252	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+2Cl"	69.938804
"1026848"	137.014352	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2Cl"	69.938804
"1243145"	283.008785	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Br"	78.918885
"1309970"	285.064772	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Cl+HCOOH"	80.974872
"1326373"	307.046729	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Cl+NaCOOH"	102.956829
"917431"	317.075486	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M-H+CF3COOH"	112.985586
"1298515"	353.052164	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Cl+CF3COOH"	148.962264
"1381303"	169.077224	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H-2H2O"	-35.012676
"1395999"	187.0872	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H-H2O"	-17.0027
"297148"	409.187076	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+H"	1.007276
"688111"	613.276976	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+H"	1.007276
"1362634"	205.097176	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H"	1.007276
"133335"	205.097176	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+2H"	2.014552
"574720"	307.142126	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+2H"	2.014552
"1043883"	103.052226	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2H"	2.014552
"207409"	137.067209333333	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+3H"	3.021828
"647335"	205.097176	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+3H"	3.021828
"1167281"	69.0372426666667	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+3H"	3.021828
"428364"	426.213623	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+NH4"	18.033823
"790087"	630.303523	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+NH4"	18.033823
"1685688"	222.123723	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+NH4"	18.033823
"333972"	213.6104495	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+H+NH4"	19.041099
"725665"	315.6553995	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+H+NH4"	19.041099
"1480211"	111.5654995	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H+NH4"	19.041099
"393465"	431.169018	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+Na"	22.989218
"755872"	635.258918	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+Na"	22.989218
"1604707"	227.079118	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Na"	22.989218
"316927"	216.088147	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+H+Na"	23.996494
"707768"	318.133097	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+H+Na"	23.996494
"1465728"	114.043197	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H+Na"	23.996494
"1053626"	76.3645566666667	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2H+Na"	25.00377
"1261389"	237.123386	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+CH3OH+H"	33.033486
"386527"	447.142958	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+K"	38.963158
"746428"	651.232858	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+K"	38.963158
"1547389"	243.053058	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+K"	38.963158
"308936"	224.075117	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+H+K"	39.970434
"698076"	326.120067	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+H+K"	39.970434
"1448257"	122.030167	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H+K"	39.970434
"240870"	450.213626	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+ACN+H"	42.033826
"1217590"	246.123726	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+ACN+H"	42.033826
"1200379"	123.565501	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+ACN+2H"	43.041102
"195438"	453.15096	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+2Na-H"	44.97116
"633540"	657.24086	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+2Na-H"	44.97116
"1135950"	249.06106	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2Na-H"	44.97116
"179241"	227.079118	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+2Na"	45.978436
"618072"	329.124068	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+2Na"	45.978436
"1120848"	125.034168	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2Na"	45.978436
"1400123"	83.6918706666667	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H+2Na"	46.985712
"1432111"	251.102646	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H+HCOOH"	47.012746
"220596"	232.11214	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+3H2O+2H"	56.04448
"1512797"	265.15469	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+IsoProp+H"	61.06479
"415765"	235.066088	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+Na+K"	61.952376
"771290"	337.111038	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+Na+K"	61.952376
"1671997"	133.021138	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Na+K"	61.952376
"252070"	472.195568	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+ACN+Na"	64.015768
"1230132"	268.105668	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+ACN+Na"	64.015768
"1714645"	268.129193	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+NH4+HCOOH"	64.039293
"1183282"	91.0191846666667	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+3Na"	68.967654
"1665416"	273.084588	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Na+HCOOH"	68.994688
"169879"	485.09884	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+2K-H"	76.91904
"610168"	689.18874	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+2K-H"	76.91904
"1096867"	281.00894	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2K-H"	76.91904
"154777"	243.053058	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"2M+2K"	77.926316
"591420"	345.098008	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"3M+2K"	77.926316
"1077025"	141.008108	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2K"	77.926316
"1108048"	283.023492	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2K+H"	78.933592
"1345524"	283.111107	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+DMSO+H"	79.021207
"1010777"	287.150276	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2ACN+H"	83.060376
"1533278"	288.143908	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+IsoProp+Na+H"	84.054008
"999727"	144.078776	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+2ACN+2H"	84.067652
"1594229"	289.058528	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+K+HCOOH"	84.968628
"1416608"	319.090038	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+H+CF3COOH"	115.000138
"1149087"	164.592051	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+3ACN+2H"	125.094202
"1700823"	336.116585	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+NH4+CF3COOH"	132.026685
"1637571"	341.07198	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+Na+CF3COOH"	136.98208
"1574318"	357.04592	"C10968"	"Idazoxan"	"C11H12N2O2"	"204.0899"	"M+K+CF3COOH"	152.95602
"810150"	358.072	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M"	0
"981496"	339.05361	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-H2O-H"	-19.01839
"76302"	237.707390666667	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M-3H"	-3.021828
"515864"	357.064724	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M-3H"	-3.021828
"891481"	118.350057333333	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-3H"	-3.021828
"8963"	357.064724	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M-2H"	-2.014552
"449614"	536.100724	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M-2H"	-2.014552
"818669"	178.028724	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-2H"	-2.014552
"83035"	715.136724	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M-H"	-1.007276
"521864"	1073.208724	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M-H"	-1.007276
"902582"	357.064724	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-H"	-1.007276
"50758"	732.163271	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M-2H+NH4"	16.019271
"495423"	1090.235271	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M-2H+NH4"	16.019271
"868853"	374.091271	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-2H+NH4"	16.019271
"38939"	737.118666	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M-2H+Na"	20.974666
"479593"	1095.190666	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M-2H+Na"	20.974666
"852656"	379.046666	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-2H+Na"	20.974666
"1622554"	379.046666	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Na-2H"	20.974666
"97257"	375.053063	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M-H+Cl"	33.962126
"536819"	554.089063	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M-H+Cl"	33.962126
"929240"	196.017063	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-H+Cl"	33.962126
"271811"	751.113402	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+Cl"	34.969402
"671893"	1109.185402	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+Cl"	34.969402
"1285390"	393.041402	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Cl"	34.969402
"28676"	753.092606	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M-2H+K"	36.948606
"459856"	1111.164606	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M-2H+K"	36.948606
"837657"	395.020606	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-2H+K"	36.948606
"1558959"	395.020606	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+K-2H"	36.948606
"946844"	403.070194	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-H+HCOOH"	44.998194
"368338"	761.142201	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+HCOOH-H"	44.998201
"348940"	775.157851	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+Hac-H"	59.013851
"1499961"	417.085851	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Hac-H"	59.013851
"964223"	425.052151	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-H+NaCOOH"	66.980151
"113130"	393.041402	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+2Cl"	69.938804
"553783"	572.077402	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+2Cl"	69.938804
"1022584"	214.005402	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2Cl"	69.938804
"1241796"	436.990885	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Br"	78.918885
"1310080"	439.046872	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Cl+HCOOH"	80.974872
"1327576"	461.028829	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Cl+NaCOOH"	102.956829
"917541"	471.057586	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M-H+CF3COOH"	112.985586
"1298625"	507.034264	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Cl+CF3COOH"	148.962264
"1380804"	323.059324	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H-2H2O"	-35.012676
"1395745"	341.0693	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H-H2O"	-17.0027
"295799"	717.151276	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+H"	1.007276
"687856"	1075.223276	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+H"	1.007276
"1361287"	359.079276	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H"	1.007276
"133445"	359.079276	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+2H"	2.014552
"576289"	538.115276	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+2H"	2.014552
"1043993"	180.043276	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2H"	2.014552
"210800"	239.721942666667	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+3H"	3.021828
"648174"	359.079276	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+3H"	3.021828
"1166299"	120.364609333333	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+3H"	3.021828
"427383"	734.177823	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+NH4"	18.033823
"789103"	1092.249823	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+NH4"	18.033823
"1683248"	376.105823	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+NH4"	18.033823
"334446"	367.5925495	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+H+NH4"	19.041099
"726505"	546.6285495	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+H+NH4"	19.041099
"1479227"	188.5565495	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H+NH4"	19.041099
"393290"	739.133218	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+Na"	22.989218
"754530"	1097.205218	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+Na"	22.989218
"1603723"	381.061218	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Na"	22.989218
"314485"	370.070247	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+H+Na"	23.996494
"708727"	549.106247	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+H+Na"	23.996494
"1464745"	191.034247	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H+Na"	23.996494
"1053007"	127.691923333333	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2H+Na"	25.00377
"1257208"	391.105486	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+CH3OH+H"	33.033486
"384444"	755.107158	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+K"	38.963158
"746536"	1113.179158	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+K"	38.963158
"1549687"	397.035158	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+K"	38.963158
"305767"	378.057217	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+H+K"	39.970434
"697093"	557.093217	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+H+K"	39.970434
"1452010"	199.021217	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H+K"	39.970434
"240616"	758.177826	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+ACN+H"	42.033826
"1215511"	400.105826	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+ACN+H"	42.033826
"1199395"	200.556551	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+ACN+2H"	43.041102
"194453"	761.11516	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+2Na-H"	44.97116
"632188"	1119.18716	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+2Na-H"	44.97116
"1134602"	403.04316	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2Na-H"	44.97116
"175338"	381.061218	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+2Na"	45.978436
"617090"	560.097218	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+2Na"	45.978436
"1120594"	202.025218	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2Na"	45.978436
"1398693"	135.019237333333	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H+2Na"	46.985712
"1431857"	405.084746	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H+HCOOH"	47.012746
"220054"	386.09424	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+3H2O+2H"	56.04448
"1510719"	419.13679	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+IsoProp+H"	61.06479
"416968"	389.048188	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+Na+K"	61.952376
"770792"	568.084188	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+Na+K"	61.952376
"1668827"	210.012188	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Na+K"	61.952376
"251818"	780.159768	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+ACN+Na"	64.015768
"1232429"	422.087768	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+ACN+Na"	64.015768
"1713537"	422.111293	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+NH4+HCOOH"	64.039293
"1184485"	142.346551333333	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+3Na"	68.967654
"1665487"	427.066688	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Na+HCOOH"	68.994688
"167802"	793.06304	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+2K-H"	76.91904
"609914"	1151.13504	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+2K-H"	76.91904
"1098070"	434.99104	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2K-H"	76.91904
"154887"	397.035158	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"2M+2K"	77.926316
"592623"	576.071158	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"3M+2K"	77.926316
"1078228"	217.999158	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2K"	77.926316
"1112530"	437.005592	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2K+H"	78.933592
"1347820"	437.093207	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+DMSO+H"	79.021207
"1013073"	441.132376	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2ACN+H"	83.060376
"1533388"	442.126008	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+IsoProp+Na+H"	84.054008
"999837"	221.069826	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+2ACN+2H"	84.067652
"1595433"	443.040628	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+K+HCOOH"	84.968628
"1415624"	473.072138	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+H+CF3COOH"	115.000138
"1150289"	241.583101	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+3ACN+2H"	125.094202
"1699841"	490.098685	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+NH4+CF3COOH"	132.026685
"1637681"	495.05408	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+Na+CF3COOH"	136.98208
"1574428"	511.02802	"C10969"	"SC-1271;1-(4-Chlorophenyl)-14-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid"	"C18H15ClN2O4"	"358.072"	"M+K+CF3COOH"	152.95602
"806979"	195.0815	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M"	0
"980513"	176.06311	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-H2O-H"	-19.01839
"77385"	129.047057333333	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M-3H"	-3.021828
"514882"	194.074224	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M-3H"	-3.021828
"891957"	64.0198906666667	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-3H"	-3.021828
"7980"	194.074224	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M-2H"	-2.014552
"447538"	291.614974	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M-2H"	-2.014552
"820965"	96.533474	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-2H"	-2.014552
"89706"	389.155724	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M-H"	-1.007276
"525984"	584.237224	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M-H"	-1.007276
"905972"	194.074224	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-H"	-1.007276
"54879"	406.182271	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M-2H+NH4"	16.019271
"498813"	601.263771	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M-2H+NH4"	16.019271
"872243"	211.100771	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-2H+NH4"	16.019271
"42330"	411.137666	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M-2H+Na"	20.974666
"482987"	606.219166	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M-2H+Na"	20.974666
"858599"	216.056166	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-2H+Na"	20.974666
"1625946"	216.056166	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Na-2H"	20.974666
"100283"	212.062563	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M-H+Cl"	33.962126
"537659"	309.603313	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M-H+Cl"	33.962126
"931537"	114.521813	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-H+Cl"	33.962126
"271921"	425.132402	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+Cl"	34.969402
"672003"	620.213902	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+Cl"	34.969402
"1285501"	230.050902	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Cl"	34.969402
"30610"	427.111606	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M-2H+K"	36.948606
"463246"	622.193106	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M-2H+K"	36.948606
"838861"	232.030106	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-2H+K"	36.948606
"1564536"	232.030106	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+K-2H"	36.948606
"946953"	240.079694	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-H+HCOOH"	44.998194
"367354"	435.161201	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+HCOOH-H"	44.998201
"351236"	449.176851	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+Hac-H"	59.013851
"1503351"	254.095351	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Hac-H"	59.013851
"964333"	262.061651	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-H+NaCOOH"	66.980151
"115427"	230.050902	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+2Cl"	69.938804
"557173"	327.591652	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+2Cl"	69.938804
"1023788"	132.510152	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2Cl"	69.938804
"1245553"	274.000385	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Br"	78.918885
"1305208"	276.056372	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Cl+HCOOH"	80.974872
"1324406"	298.038329	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Cl+NaCOOH"	102.956829
"915464"	308.067086	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M-H+CF3COOH"	112.985586
"1298736"	344.043764	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Cl+CF3COOH"	148.962264
"1381400"	160.068824	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H-2H2O"	-35.012676
"1398125"	178.0788	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H-H2O"	-17.0027
"295547"	391.170276	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+H"	1.007276
"687603"	586.251776	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+H"	1.007276
"1362494"	196.088776	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H"	1.007276
"136839"	196.088776	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+2H"	2.014552
"576035"	293.629526	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+2H"	2.014552
"1041916"	98.548026	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2H"	2.014552
"210910"	131.061609333333	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+3H"	3.021828
"647555"	196.088776	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+3H"	3.021828
"1166773"	66.0344426666667	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+3H"	3.021828
"429680"	408.196823	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+NH4"	18.033823
"792859"	603.278323	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+NH4"	18.033823
"1685545"	213.115323	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+NH4"	18.033823
"336373"	204.6020495	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+H+NH4"	19.041099
"726247"	302.1427995	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+H+NH4"	19.041099
"1479341"	107.0612995	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H+NH4"	19.041099
"394740"	413.152218	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+Na"	22.989218
"756828"	608.233718	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+Na"	22.989218
"1607114"	218.070718	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Na"	22.989218
"314718"	207.079747	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+H+Na"	23.996494
"708475"	304.620497	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+H+Na"	23.996494
"1461938"	109.538997	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H+Na"	23.996494
"1056644"	73.3617566666667	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2H+Na"	25.00377
"1257348"	228.114986	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+CH3OH+H"	33.033486
"384555"	429.126158	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+K"	38.963158
"745552"	624.207658	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+K"	38.963158
"1542143"	234.044658	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+K"	38.963158
"302597"	215.066717	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+H+K"	39.970434
"697202"	312.607467	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+H+K"	39.970434
"1451025"	117.525967	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H+K"	39.970434
"241820"	432.196826	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+ACN+H"	42.033826
"1216715"	237.115326	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+ACN+H"	42.033826
"1200599"	119.061301	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+ACN+2H"	43.041102
"198937"	435.13416	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+2Na-H"	44.97116
"634122"	630.21566	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+2Na-H"	44.97116
"1138722"	240.05266	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2Na-H"	44.97116
"180918"	218.070718	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+2Na"	45.978436
"622666"	315.611468	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+2Na"	45.978436
"1120704"	120.529968	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2Na"	45.978436
"1399250"	80.6890706666667	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H+2Na"	46.985712
"1430634"	242.094246	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H+HCOOH"	47.012746
"221052"	223.10374	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+3H2O+2H"	56.04448
"1511193"	256.14629	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+IsoProp+H"	61.06479
"415985"	226.057688	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+Na+K"	61.952376
"770660"	323.598438	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+Na+K"	61.952376
"1672217"	128.516938	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Na+K"	61.952376
"252172"	454.178768	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+ACN+Na"	64.015768
"1227064"	259.097268	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+ACN+Na"	64.015768
"1717412"	259.120793	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+NH4+HCOOH"	64.039293
"1182772"	88.0163846666667	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+3Na"	68.967654
"1657769"	264.076188	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Na+HCOOH"	68.994688
"166818"	467.08204	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+2K-H"	76.91904
"605284"	662.16354	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+2K-H"	76.91904
"1091981"	272.00054	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2K-H"	76.91904
"154268"	234.044658	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"2M+2K"	77.926316
"591640"	331.585408	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"3M+2K"	77.926316
"1078338"	136.503908	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2K"	77.926316
"1112639"	274.015092	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2K+H"	78.933592
"1345744"	274.102707	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+DMSO+H"	79.021207
"1012091"	278.141876	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2ACN+H"	83.060376
"1532404"	279.135508	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+IsoProp+Na+H"	84.054008
"998853"	139.574576	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+2ACN+2H"	84.067652
"1593356"	280.050128	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+K+HCOOH"	84.968628
"1415736"	310.081638	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+H+CF3COOH"	115.000138
"1148213"	160.087851	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+3ACN+2H"	125.094202
"1699950"	327.108185	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+NH4+CF3COOH"	132.026685
"1637789"	332.06358	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+Na+CF3COOH"	136.98208
"1574538"	348.03752	"C10970"	"Benalfocin;SKF 86466"	"C11H14ClN"	"195.0815"	"M+K+CF3COOH"	152.95602
"803809"	305.0051	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M"	0
"982809"	285.98671	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H2O-H"	-19.01839
"77616"	202.329457333333	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-3H"	-3.021828
"515722"	303.997824	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-3H"	-3.021828
"894254"	100.661090666667	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-3H"	-3.021828
"13564"	303.997824	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H"	-2.014552
"448743"	456.500374	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H"	-2.014552
"828732"	151.495274	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H"	-2.014552
"84351"	609.002924	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-H"	-1.007276
"530470"	914.008024	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-H"	-1.007276
"908879"	303.997824	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H"	-1.007276
"58271"	626.029471	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H+NH4"	16.019271
"500022"	931.034571	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H+NH4"	16.019271
"877095"	321.024371	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H+NH4"	16.019271
"44267"	630.984866	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H+Na"	20.974666
"483097"	935.989966	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H+Na"	20.974666
"860534"	325.979766	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H+Na"	20.974666
"1628245"	325.979766	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na-2H"	20.974666
"99666"	321.986163	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-H+Cl"	33.962126
"543237"	474.488713	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-H+Cl"	33.962126
"935660"	169.483613	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+Cl"	33.962126
"274219"	644.979602	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Cl"	34.969402
"674180"	949.984702	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+Cl"	34.969402
"1282331"	339.974502	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl"	34.969402
"22699"	646.958806	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H+K"	36.948606
"456673"	951.963906	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H+K"	36.948606
"833625"	341.953706	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H+K"	36.948606
"1563553"	341.953706	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K-2H"	36.948606
"952529"	350.003294	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+HCOOH"	44.998194
"368557"	655.008401	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+HCOOH-H"	44.998201
"351346"	669.024051	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Hac-H"	59.013851
"1503461"	364.018951	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Hac-H"	59.013851
"966631"	371.985251	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+NaCOOH"	66.980151
"118817"	339.974502	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2Cl"	69.938804
"556189"	492.477052	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2Cl"	69.938804
"1028272"	187.471952	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2Cl"	69.938804
"1245663"	383.923985	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Br"	78.918885
"1307018"	385.979972	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl+HCOOH"	80.974872
"1321600"	407.961929	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl+NaCOOH"	102.956829
"913387"	417.990686	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+CF3COOH"	112.985586
"1295566"	453.967364	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl+CF3COOH"	148.962264
"1381019"	269.992424	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H-2H2O"	-35.012676
"1396693"	288.0024	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H-H2O"	-17.0027
"296748"	611.017476	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H"	1.007276
"688442"	916.022576	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H"	1.007276
"1364790"	306.012376	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H"	1.007276
"138041"	306.012376	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2H"	2.014552
"578332"	458.514926	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2H"	2.014552
"1043120"	153.509826	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2H"	2.014552
"211020"	204.344009333333	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+3H"	3.021828
"650581"	306.012376	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+3H"	3.021828
"1166882"	102.675642666667	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+3H"	3.021828
"429060"	628.044023	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+NH4"	18.033823
"791510"	933.049123	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+NH4"	18.033823
"1687113"	323.038923	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+NH4"	18.033823
"334297"	314.5256495	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H+NH4"	19.041099
"725994"	467.0281995	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H+NH4"	19.041099
"1479815"	162.0230995	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+NH4"	19.041099
"395215"	632.999418	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Na"	22.989218
"755845"	938.004518	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+Na"	22.989218
"1608318"	327.994318	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na"	22.989218
"315074"	317.003347	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H+Na"	23.996494
"709682"	469.505897	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H+Na"	23.996494
"1462291"	164.500797	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+Na"	23.996494
"1054079"	110.002956666667	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2H+Na"	25.00377
"1257701"	338.038586	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+CH3OH+H"	33.033486
"386851"	648.973358	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+K"	38.963158
"747848"	953.978458	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+K"	38.963158
"1545525"	343.968258	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K"	38.963158
"305981"	324.990317	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H+K"	39.970434
"698401"	477.492867	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H+K"	39.970434
"1448949"	172.487767	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+K"	39.970434
"241930"	652.044026	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+ACN+H"	42.033826
"1216825"	347.038926	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+ACN+H"	42.033826
"1201803"	174.023101	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+ACN+2H"	43.041102
"195766"	654.98136	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2Na-H"	44.97116
"634232"	959.98646	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2Na-H"	44.97116
"1142112"	349.97626	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2Na-H"	44.97116
"176652"	327.994318	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2Na"	45.978436
"619495"	480.496868	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2Na"	45.978436
"1120814"	175.491768	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2Na"	45.978436
"1399238"	117.330270666667	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+2Na"	46.985712
"1430504"	352.017846	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+HCOOH"	47.012746
"221165"	333.02734	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+3H2O+2H"	56.04448
"1509847"	366.06989	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+IsoProp+H"	61.06479
"416095"	335.981288	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Na+K"	61.952376
"772716"	488.483838	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+Na+K"	61.952376
"1670141"	183.478738	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na+K"	61.952376
"253377"	674.025968	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+ACN+Na"	64.015768
"1230459"	369.020868	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+ACN+Na"	64.015768
"1721533"	369.044393	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+NH4+HCOOH"	64.039293
"1186891"	124.657584666667	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+3Na"	68.967654
"1657876"	373.999788	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na+HCOOH"	68.994688
"164740"	686.92924	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2K-H"	76.91904
"603206"	991.93434	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2K-H"	76.91904
"1093187"	381.92414	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2K-H"	76.91904
"155473"	343.968258	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2K"	77.926316
"593938"	496.470808	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2K"	77.926316
"1077354"	191.465708	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2K"	77.926316
"1111659"	383.938692	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2K+H"	78.933592
"1342576"	384.026307	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+DMSO+H"	79.021207
"1013293"	388.065476	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2ACN+H"	83.060376
"1531421"	389.059108	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+IsoProp+Na+H"	84.054008
"997870"	194.536376	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2ACN+2H"	84.067652
"1594560"	389.973728	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K+HCOOH"	84.968628
"1418033"	420.005238	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+CF3COOH"	115.000138
"1150509"	215.049651	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+3ACN+2H"	125.094202
"1698966"	437.031785	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+NH4+CF3COOH"	132.026685
"1635713"	441.98718	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na+CF3COOH"	136.98208
"1574648"	457.96112	"C10971"	"Isoimide;N-(Bromophenyl)-3456-tetrahydroisophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K+CF3COOH"	152.95602
"805012"	305.0051	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M"	0
"984012"	285.98671	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H2O-H"	-19.01839
"75536"	202.329457333333	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-3H"	-3.021828
"515101"	303.997824	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-3H"	-3.021828
"893634"	100.661090666667	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-3H"	-3.021828
"12575"	303.997824	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H"	-2.014552
"453958"	456.500374	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H"	-2.014552
"830785"	151.495274	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H"	-2.014552
"86647"	609.002924	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-H"	-1.007276
"534177"	914.008024	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-H"	-1.007276
"909476"	303.997824	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H"	-1.007276
"59473"	626.029471	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H+NH4"	16.019271
"497943"	931.034571	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H+NH4"	16.019271
"879149"	321.024371	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H+NH4"	16.019271
"46564"	630.984866	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H+Na"	20.974666
"484665"	935.989966	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H+Na"	20.974666
"861736"	325.979766	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H+Na"	20.974666
"1629084"	325.979766	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na-2H"	20.974666
"99776"	321.986163	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-H+Cl"	33.962126
"541160"	474.488713	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-H+Cl"	33.962126
"937957"	169.483613	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+Cl"	33.962126
"277609"	644.979602	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Cl"	34.969402
"671859"	949.984702	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+Cl"	34.969402
"1285721"	339.974502	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl"	34.969402
"24995"	646.958806	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M-2H+K"	36.948606
"456662"	951.963906	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M-2H+K"	36.948606
"834099"	341.953706	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-2H+K"	36.948606
"1563663"	341.953706	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K-2H"	36.948606
"951546"	350.003294	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+HCOOH"	44.998194
"368667"	655.008401	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+HCOOH-H"	44.998201
"350363"	669.024051	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Hac-H"	59.013851
"1505029"	364.018951	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Hac-H"	59.013851
"970021"	371.985251	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+NaCOOH"	66.980151
"118927"	339.974502	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2Cl"	69.938804
"557392"	492.477052	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2Cl"	69.938804
"1029475"	187.471952	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2Cl"	69.938804
"1250147"	383.923985	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Br"	78.918885
"1311502"	385.979972	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl+HCOOH"	80.974872
"1326812"	407.961929	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl+NaCOOH"	102.956829
"918964"	417.990686	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M-H+CF3COOH"	112.985586
"1298955"	453.967364	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Cl+CF3COOH"	148.962264
"1377849"	269.992424	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H-2H2O"	-35.012676
"1394615"	288.0024	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H-H2O"	-17.0027
"296492"	611.017476	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H"	1.007276
"688913"	916.022576	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H"	1.007276
"1364169"	306.012376	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H"	1.007276
"138151"	306.012376	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2H"	2.014552
"577715"	458.514926	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2H"	2.014552
"1048698"	153.509826	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2H"	2.014552
"214410"	204.344009333333	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+3H"	3.021828
"653972"	306.012376	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+3H"	3.021828
"1171002"	102.675642666667	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+3H"	3.021828
"432086"	628.044023	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+NH4"	18.033823
"793079"	933.049123	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+NH4"	18.033823
"1687224"	323.038923	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+NH4"	18.033823
"339876"	314.5256495	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H+NH4"	19.041099
"731207"	467.0281995	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H+NH4"	19.041099
"1481018"	162.0230995	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+NH4"	19.041099
"394959"	632.999418	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Na"	22.989218
"761422"	938.004518	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+Na"	22.989218
"1609520"	327.994318	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na"	22.989218
"317372"	317.003347	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H+Na"	23.996494
"714166"	469.505897	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H+Na"	23.996494
"1465439"	164.500797	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+Na"	23.996494
"1054432"	110.002956666667	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2H+Na"	25.00377
"1259635"	338.038586	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+CH3OH+H"	33.033486
"380762"	648.973358	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+K"	38.963158
"746863"	953.978458	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+K"	38.963158
"1548915"	343.968258	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K"	38.963158
"301714"	324.990317	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+H+K"	39.970434
"696324"	477.492867	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+H+K"	39.970434
"1450152"	172.487767	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+K"	39.970434
"245318"	652.044026	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+ACN+H"	42.033826
"1220214"	347.038926	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+ACN+H"	42.033826
"1204100"	174.023101	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+ACN+2H"	43.041102
"196969"	654.98136	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2Na-H"	44.97116
"636528"	959.98646	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2Na-H"	44.97116
"1142222"	349.97626	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2Na-H"	44.97116
"176763"	327.994318	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2Na"	45.978436
"614622"	480.496868	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2Na"	45.978436
"1117643"	175.491768	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2Na"	45.978436
"1402265"	117.330270666667	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+2Na"	46.985712
"1430492"	352.017846	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+HCOOH"	47.012746
"220548"	333.02734	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+3H2O+2H"	56.04448
"1509957"	366.06989	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+IsoProp+H"	61.06479
"417298"	335.981288	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+Na+K"	61.952376
"776106"	488.483838	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+Na+K"	61.952376
"1669157"	183.478738	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na+K"	61.952376
"253850"	674.025968	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+ACN+Na"	64.015768
"1231662"	369.020868	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+ACN+Na"	64.015768
"1719455"	369.044393	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+NH4+HCOOH"	64.039293
"1184814"	124.657584666667	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+3Na"	68.967654
"1660173"	373.999788	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na+HCOOH"	68.994688
"163753"	686.92924	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2K-H"	76.91904
"605500"	991.93434	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2K-H"	76.91904
"1088919"	381.92414	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2K-H"	76.91904
"150114"	343.968258	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"2M+2K"	77.926316
"591860"	496.470808	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"3M+2K"	77.926316
"1077464"	191.465708	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2K"	77.926316
"1109582"	383.938692	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2K+H"	78.933592
"1340498"	384.026307	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+DMSO+H"	79.021207
"1014496"	388.065476	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2ACN+H"	83.060376
"1531530"	389.059108	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+IsoProp+Na+H"	84.054008
"996886"	194.536376	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+2ACN+2H"	84.067652
"1593576"	389.973728	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K+HCOOH"	84.968628
"1418143"	420.005238	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+H+CF3COOH"	115.000138
"1150620"	215.049651	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+3ACN+2H"	125.094202
"1697983"	437.031785	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+NH4+CF3COOH"	132.026685
"1635823"	441.98718	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+Na+CF3COOH"	136.98208
"1574758"	457.96112	"C10972"	"Imide;N-(4-Bromophenyl)-3456-tetrahydrophthalimide"	"C14H12BrNO2"	"305.0051"	"M+K+CF3COOH"	152.95602
"807309"	324.9884	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M"	0
"987404"	305.97001	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-H2O-H"	-19.01839
"77107"	215.651657333333	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M-3H"	-3.021828
"513026"	323.981124	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M-3H"	-3.021828
"890829"	107.322190666667	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-3H"	-3.021828
"15322"	323.981124	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M-2H"	-2.014552
"452245"	486.475324	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M-2H"	-2.014552
"831747"	161.486924	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-2H"	-2.014552
"86757"	648.969524	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M-H"	-1.007276
"524130"	973.957924	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M-H"	-1.007276
"906304"	323.981124	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-H"	-1.007276
"57398"	665.996071	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M-2H+NH4"	16.019271
"502514"	990.984471	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M-2H+NH4"	16.019271
"879809"	341.007671	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-2H+NH4"	16.019271
"46970"	670.951466	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M-2H+Na"	20.974666
"486983"	995.939866	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M-2H+Na"	20.974666
"862577"	345.963066	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-2H+Na"	20.974666
"1631746"	345.963066	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Na-2H"	20.974666
"103897"	341.969463	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M-H+Cl"	33.962126
"542365"	504.463663	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M-H+Cl"	33.962126
"939161"	179.475263	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-H+Cl"	33.962126
"282811"	684.946202	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+Cl"	34.969402
"674156"	1009.934602	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+Cl"	34.969402
"1287654"	359.957802	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Cl"	34.969402
"28022"	686.925406	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M-2H+K"	36.948606
"457865"	1011.913806	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M-2H+K"	36.948606
"838460"	361.937006	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-2H+K"	36.948606
"1565960"	361.937006	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+K-2H"	36.948606
"951656"	369.986594	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-H+HCOOH"	44.998194
"370964"	694.975001	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+HCOOH-H"	44.998201
"349744"	708.990651	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+Hac-H"	59.013851
"1507205"	384.002251	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Hac-H"	59.013851
"972197"	391.968551	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-H+NaCOOH"	66.980151
"121224"	359.957802	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+2Cl"	69.938804
"557503"	522.452002	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+2Cl"	69.938804
"1032865"	197.463602	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2Cl"	69.938804
"1251350"	403.907285	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Br"	78.918885
"1312706"	405.963272	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Cl+HCOOH"	80.974872
"1331297"	427.945229	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Cl+NaCOOH"	102.956829
"919438"	437.973986	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M-H+CF3COOH"	112.985586
"1301618"	473.950664	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Cl+CF3COOH"	148.962264
"1378323"	289.975724	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H-2H2O"	-35.012676
"1391445"	307.9857	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H-H2O"	-17.0027
"291130"	650.984076	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+H"	1.007276
"690481"	975.972476	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+H"	1.007276
"1363915"	325.995676	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H"	1.007276
"139355"	325.995676	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+2H"	2.014552
"579646"	488.489876	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+2H"	2.014552
"1050996"	163.501476	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2H"	2.014552
"214520"	217.666209333333	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+3H"	3.021828
"657362"	325.995676	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+3H"	3.021828
"1170019"	109.336742666667	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+3H"	3.021828
"434383"	668.010623	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+NH4"	18.033823
"798657"	992.999023	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+NH4"	18.033823
"1691707"	343.022223	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+NH4"	18.033823
"342904"	334.5089495	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+H+NH4"	19.041099
"733504"	497.0031495	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+H+NH4"	19.041099
"1482951"	172.0147495	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H+NH4"	19.041099
"393245"	672.966018	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+Na"	22.989218
"765905"	997.954418	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+Na"	22.989218
"1612910"	347.977618	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Na"	22.989218
"321855"	336.986647	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+H+Na"	23.996494
"718649"	499.480847	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+H+Na"	23.996494
"1463728"	174.492447	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H+Na"	23.996494
"1054421"	116.664056666667	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2H+Na"	25.00377
"1260840"	358.021886	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+CH3OH+H"	33.033486
"380508"	688.939958	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+K"	38.963158
"745880"	1013.928358	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+K"	38.963158
"1546838"	363.951558	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+K"	38.963158
"302191"	344.973617	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+H+K"	39.970434
"695706"	507.467817	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+H+K"	39.970434
"1453542"	182.479417	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H+K"	39.970434
"248709"	692.010626	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+ACN+H"	42.033826
"1223604"	367.022226	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+ACN+H"	42.033826
"1206395"	184.014751	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+ACN+2H"	43.041102
"201452"	694.94796	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+2Na-H"	44.97116
"636638"	1019.93636	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+2Na-H"	44.97116
"1141238"	369.95956	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2Na-H"	44.97116
"177235"	347.977618	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+2Na"	45.978436
"617161"	510.471818	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+2Na"	45.978436
"1118109"	185.483418	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2Na"	45.978436
"1402375"	123.991370666667	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H+2Na"	46.985712
"1435584"	372.001146	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H+HCOOH"	47.012746
"221270"	353.01064	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+3H2O+2H"	56.04448
"1513347"	386.05319	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+IsoProp+H"	61.06479
"417408"	355.964588	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+Na+K"	61.952376
"776216"	518.458788	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+Na+K"	61.952376
"1672547"	193.470388	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Na+K"	61.952376
"256877"	713.992568	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+ACN+Na"	64.015768
"1233960"	389.004168	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+ACN+Na"	64.015768
"1721752"	389.027693	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+NH4+HCOOH"	64.039293
"1188204"	131.318684666667	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+3Na"	68.967654
"1660283"	393.983088	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Na+HCOOH"	68.994688
"164957"	726.89584	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+2K-H"	76.91904
"605610"	1051.88424	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+2K-H"	76.91904
"1089029"	401.90744	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2K-H"	76.91904
"146939"	363.951558	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"2M+2K"	77.926316
"593063"	526.445758	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"3M+2K"	77.926316
"1076480"	201.457358	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2K"	77.926316
"1111879"	403.921992	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2K+H"	78.933592
"1343888"	404.009607	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+DMSO+H"	79.021207
"1014606"	408.048776	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2ACN+H"	83.060376
"1531641"	409.042408	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+IsoProp+Na+H"	84.054008
"996996"	204.528026	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+2ACN+2H"	84.067652
"1596966"	409.957028	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+K+HCOOH"	84.968628
"1418254"	439.988538	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+H+CF3COOH"	115.000138
"1150730"	225.041301	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+3ACN+2H"	125.094202
"1699186"	457.015085	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+NH4+CF3COOH"	132.026685
"1634716"	461.97048	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+Na+CF3COOH"	136.98208
"1574868"	477.94442	"C10973"	"Thiadiazolidinone;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidin-2-one"	"C12H12BrN3OS"	"324.9884"	"M+K+CF3COOH"	152.95602
"816906"	101.0841	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M"	0
"987515"	82.06571	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-H2O-H"	-19.01839
"78397"	66.382124	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M-3H"	-3.021828
"517145"	100.076824	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M-3H"	-3.021828
"892032"	32.687424	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-3H"	-3.021828
"13888"	100.076824	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M-2H"	-2.014552
"450167"	150.618874	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M-2H"	-2.014552
"824689"	49.534774	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-2H"	-2.014552
"90146"	201.160924	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M-H"	-1.007276
"530801"	302.245024	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M-H"	-1.007276
"905323"	100.076824	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-H"	-1.007276
"60789"	218.187471	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M-2H+NH4"	16.019271
"502049"	319.271571	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M-2H+NH4"	16.019271
"875963"	117.103371	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-2H+NH4"	16.019271
"47037"	223.142866	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M-2H+Na"	20.974666
"486589"	324.226966	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M-2H+Na"	20.974666
"861228"	122.058766	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-2H+Na"	20.974666
"1633314"	122.058766	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Na-2H"	20.974666
"100728"	118.065163	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M-H+Cl"	33.962126
"547943"	168.607213	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M-H+Cl"	33.962126
"941459"	67.523113	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-H+Cl"	33.962126
"278922"	237.137602	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+Cl"	34.969402
"672443"	338.221702	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+Cl"	34.969402
"1285940"	136.053502	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Cl"	34.969402
"30685"	239.116806	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M-2H+K"	36.948606
"460406"	340.200906	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M-2H+K"	36.948606
"838570"	138.032706	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-2H+K"	36.948606
"1561694"	138.032706	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+K-2H"	36.948606
"954320"	146.082294	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-H+HCOOH"	44.998194
"369982"	247.166401	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+HCOOH-H"	44.998201
"356052"	261.182051	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+Hac-H"	59.013851
"1507315"	160.097951	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Hac-H"	59.013851
"973035"	168.064251	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-H+NaCOOH"	66.980151
"121334"	136.053502	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+2Cl"	69.938804
"561988"	186.595552	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+2Cl"	69.938804
"1029693"	85.511452	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2Cl"	69.938804
"1252553"	180.002985	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Br"	78.918885
"1315002"	182.058972	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Cl+HCOOH"	80.974872
"1332501"	204.040929	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Cl+NaCOOH"	102.956829
"920278"	214.069686	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M-H+CF3COOH"	112.985586
"1298080"	250.046364	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Cl+CF3COOH"	148.962264
"1380256"	66.071424	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H-2H2O"	-35.012676
"1393740"	84.0814	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H-H2O"	-17.0027
"291240"	203.175476	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+H"	1.007276
"688040"	304.259576	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+H"	1.007276
"1361836"	102.091376	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H"	1.007276
"132901"	102.091376	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+2H"	2.014552
"579757"	152.633426	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+2H"	2.014552
"1046730"	51.549326	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2H"	2.014552
"211350"	68.396676	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+3H"	3.021828
"654192"	102.091376	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+3H"	3.021828
"1167213"	34.701976	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+3H"	3.021828
"433400"	220.202023	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+NH4"	18.033823
"795486"	321.286123	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+NH4"	18.033823
"1691817"	119.117923	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+NH4"	18.033823
"340097"	110.6046495	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+H+NH4"	19.041099
"731425"	161.1466995	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+H+NH4"	19.041099
"1486340"	60.0625995	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H+NH4"	19.041099
"406115"	225.157418	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+Na"	22.989218
"763828"	326.241518	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+Na"	22.989218
"1611927"	124.073318	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Na"	22.989218
"319779"	113.082347	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+H+Na"	23.996494
"714385"	163.624397	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+H+Na"	23.996494
"1464202"	62.540297	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H+Na"	23.996494
"1054167"	42.02929	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2H+Na"	25.00377
"1259857"	134.117586	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+CH3OH+H"	33.033486
"379525"	241.131358	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+K"	38.963158
"741615"	342.215458	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+K"	38.963158
"1542574"	140.047258	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+K"	38.963158
"301571"	121.069317	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+H+K"	39.970434
"693626"	171.611367	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+H+K"	39.970434
"1450000"	70.527267	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H+K"	39.970434
"239699"	244.202026	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+ACN+H"	42.033826
"1216054"	143.117926	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+ACN+H"	42.033826
"1209260"	72.062601	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+ACN+2H"	43.041102
"200469"	247.13936	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+2Na-H"	44.97116
"634560"	348.22346	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+2Na-H"	44.97116
"1138067"	146.05526	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2Na-H"	44.97116
"175887"	124.073318	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+2Na"	45.978436
"615450"	174.615368	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+2Na"	45.978436
"1117370"	73.531268	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2Na"	45.978436
"1409046"	49.356604	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H+2Na"	46.985712
"1436788"	148.096846	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H+HCOOH"	47.012746
"227578"	129.10634	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+3H2O+2H"	56.04448
"1513457"	162.14889	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+IsoProp+H"	61.06479
"419705"	132.060288	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+Na+K"	61.952376
"777419"	182.602338	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+Na+K"	61.952376
"1675937"	81.518238	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Na+K"	61.952376
"262456"	266.183968	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+ACN+Na"	64.015768
"1238444"	165.099868	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+ACN+Na"	64.015768
"1721863"	165.123393	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+NH4+HCOOH"	64.039293
"1191594"	56.683918	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+3Na"	68.967654
"1661486"	170.078788	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Na+HCOOH"	68.994688
"167253"	279.08724	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+2K-H"	76.91904
"607907"	380.17134	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+2K-H"	76.91904
"1092419"	178.00314	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2K-H"	76.91904
"150329"	140.047258	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"2M+2K"	77.926316
"593173"	190.589308	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"3M+2K"	77.926316
"1076590"	89.505208	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2K"	77.926316
"1109800"	180.017692	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2K+H"	78.933592
"1345092"	180.105307	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+DMSO+H"	79.021207
"1013624"	184.144476	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2ACN+H"	83.060376
"1531751"	185.138108	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+IsoProp+Na+H"	84.054008
"999293"	92.575876	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+2ACN+2H"	84.067652
"1597076"	186.052728	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+K+HCOOH"	84.968628
"1421644"	216.084238	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+H+CF3COOH"	115.000138
"1150840"	113.089151	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+3ACN+2H"	125.094202
"1699296"	233.110785	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+NH4+CF3COOH"	132.026685
"1636044"	238.06618	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+Na+CF3COOH"	136.98208
"1574978"	254.04012	"C10974"	"4-Methylaminobutanal"	"C5H11NO"	"101.0841"	"M+K+CF3COOH"	152.95602
"815066"	324.9884	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M"	0
"987625"	305.97001	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-H2O-H"	-19.01839
"73681"	215.651657333333	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M-3H"	-3.021828
"517132"	323.981124	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M-3H"	-3.021828
"891047"	107.322190666667	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-3H"	-3.021828
"5250"	323.981124	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M-2H"	-2.014552
"446996"	486.475324	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M-2H"	-2.014552
"821519"	161.486924	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-2H"	-2.014552
"83696"	648.969524	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M-H"	-1.007276
"527631"	973.957924	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M-H"	-1.007276
"898873"	323.981124	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-H"	-1.007276
"57619"	665.996071	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M-2H+NH4"	16.019271
"501919"	990.984471	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M-2H+NH4"	16.019271
"874980"	341.007671	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-2H+NH4"	16.019271
"46775"	670.951466	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M-2H+Na"	20.974666
"479162"	995.939866	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M-2H+Na"	20.974666
"854777"	345.963066	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-2H+Na"	20.974666
"1627591"	345.963066	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Na-2H"	20.974666
"97556"	341.969463	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M-H+Cl"	33.962126
"543679"	504.463663	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M-H+Cl"	33.962126
"930634"	179.475263	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-H+Cl"	33.962126
"269190"	684.946202	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+Cl"	34.969402
"668177"	1009.934602	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+Cl"	34.969402
"1285686"	359.957802	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Cl"	34.969402
"23139"	686.925406	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M-2H+K"	36.948606
"459423"	1011.913806	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M-2H+K"	36.948606
"836858"	361.937006	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-2H+K"	36.948606
"1559618"	361.937006	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+K-2H"	36.948606
"951877"	369.986594	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-H+HCOOH"	44.998194
"367905"	694.975001	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+HCOOH-H"	44.998201
"356162"	708.990651	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+Hac-H"	59.013851
"1502443"	384.002251	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Hac-H"	59.013851
"970350"	391.968551	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-H+NaCOOH"	66.980151
"121444"	359.957802	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+2Cl"	69.938804
"562827"	522.452002	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+2Cl"	69.938804
"1030896"	197.463602	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2Cl"	69.938804
"1251570"	403.907285	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Br"	78.918885
"1312926"	405.963272	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Cl+HCOOH"	80.974872
"1330423"	427.945229	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Cl+NaCOOH"	102.956829
"919658"	437.973986	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M-H+CF3COOH"	112.985586
"1297097"	473.950664	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Cl+CF3COOH"	148.962264
"1378543"	289.975724	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H-2H2O"	-35.012676
"1391663"	307.9857	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H-H2O"	-17.0027
"291350"	650.984076	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+H"	1.007276
"687054"	975.972476	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+H"	1.007276
"1362308"	325.995676	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H"	1.007276
"133009"	325.995676	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+2H"	2.014552
"576585"	488.489876	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+2H"	2.014552
"1048664"	163.501476	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2H"	2.014552
"211460"	217.666209333333	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+3H"	3.021828
"647012"	325.995676	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+3H"	3.021828
"1163677"	109.336742666667	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+3H"	3.021828
"427313"	668.010623	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+NH4"	18.033823
"794503"	992.999023	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+NH4"	18.033823
"1683179"	343.022223	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+NH4"	18.033823
"332552"	334.5089495	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+H+NH4"	19.041099
"726068"	497.0031495	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+H+NH4"	19.041099
"1477335"	172.0147495	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H+NH4"	19.041099
"395289"	672.966018	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+Na"	22.989218
"757377"	997.954418	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+Na"	22.989218
"1603287"	347.977618	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Na"	22.989218
"315513"	336.986647	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+H+Na"	23.996494
"708298"	499.480847	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+H+Na"	23.996494
"1461420"	174.492447	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H+Na"	23.996494
"1053294"	116.664056666667	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2H+Na"	25.00377
"1257778"	358.021886	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+CH3OH+H"	33.033486
"378176"	688.939958	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+K"	38.963158
"741360"	1013.928358	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+K"	38.963158
"1542684"	363.951558	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+K"	38.963158
"298793"	344.973617	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+H+K"	39.970434
"693004"	507.467817	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+H+K"	39.970434
"1445804"	182.479417	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H+K"	39.970434
"236889"	692.010626	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+ACN+H"	42.033826
"1213974"	367.022226	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+ACN+H"	42.033826
"1206615"	184.014751	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+ACN+2H"	43.041102
"198392"	694.94796	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+2Na-H"	44.97116
"634670"	1019.93636	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+2Na-H"	44.97116
"1138177"	369.95956	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2Na-H"	44.97116
"174173"	347.977618	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+2Na"	45.978436
"615195"	510.471818	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+2Na"	45.978436
"1116507"	185.483418	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2Na"	45.978436
"1401502"	123.991370666667	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H+2Na"	46.985712
"1433618"	372.001146	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H+HCOOH"	47.012746
"226594"	353.01064	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+3H2O+2H"	56.04448
"1510648"	386.05319	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+IsoProp+H"	61.06479
"420908"	355.964588	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+Na+K"	61.952376
"776436"	518.458788	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+Na+K"	61.952376
"1674954"	193.470388	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Na+K"	61.952376
"260378"	713.992568	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+ACN+Na"	64.015768
"1233086"	389.004168	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+ACN+Na"	64.015768
"1724159"	389.027693	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+NH4+HCOOH"	64.039293
"1189518"	131.318684666667	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+3Na"	68.967654
"1659410"	393.983088	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Na+HCOOH"	68.994688
"166269"	726.89584	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+2K-H"	76.91904
"604737"	1051.88424	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+2K-H"	76.91904
"1092529"	401.90744	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2K-H"	76.91904
"150439"	363.951558	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"2M+2K"	77.926316
"592190"	526.445758	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"3M+2K"	77.926316
"1077793"	201.457358	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2K"	77.926316
"1109910"	403.921992	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2K+H"	78.933592
"1344109"	404.009607	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+DMSO+H"	79.021207
"1012640"	408.048776	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2ACN+H"	83.060376
"1531861"	409.042408	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+IsoProp+Na+H"	84.054008
"996123"	204.528026	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+2ACN+2H"	84.067652
"1592812"	409.957028	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+K+HCOOH"	84.968628
"1417379"	439.988538	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+H+CF3COOH"	115.000138
"1147791"	225.041301	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+3ACN+2H"	125.094202
"1697460"	457.015085	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+NH4+CF3COOH"	132.026685
"1634694"	461.97048	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+Na+CF3COOH"	136.98208
"1575088"	477.94442	"C10975"	"Triazolidinonethione;4-Bromophenyl-12-tetramethylene-124-triazolidin-3-one-5-thione"	"C12H12BrN3OS"	"324.9884"	"M+K+CF3COOH"	152.95602
"814934"	128.0837	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M"	0
"987371"	109.06531	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-H2O-H"	-19.01839
"74520"	84.3818573333333	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M-3H"	-3.021828
"515540"	127.076424	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M-3H"	-3.021828
"887877"	41.6872906666667	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-3H"	-3.021828
"4266"	127.076424	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M-2H"	-2.014552
"446013"	191.118274	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M-2H"	-2.014552
"819441"	63.034574	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-2H"	-2.014552
"87085"	255.160124	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M-H"	-1.007276
"527740"	383.243824	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M-H"	-1.007276
"898981"	127.076424	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-H"	-1.007276
"54449"	272.186671	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M-2H+NH4"	16.019271
"500446"	400.270371	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M-2H+NH4"	16.019271
"876183"	144.102971	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-2H+NH4"	16.019271
"36431"	277.142066	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M-2H+Na"	20.974666
"482552"	405.225766	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M-2H+Na"	20.974666
"854888"	149.058366	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-2H+Na"	20.974666
"1627702"	149.058366	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Na-2H"	20.974666
"97666"	145.064763	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M-H+Cl"	33.962126
"541603"	209.106613	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M-H+Cl"	33.962126
"930744"	81.022913	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-H+Cl"	33.962126
"268328"	291.136802	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+Cl"	34.969402
"668287"	419.220502	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+Cl"	34.969402
"1283974"	163.053102	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Cl"	34.969402
"25436"	293.116006	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M-2H+K"	36.948606
"460626"	421.199706	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M-2H+K"	36.948606
"835511"	165.032306	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-2H+K"	36.948606
"1560821"	165.032306	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+K-2H"	36.948606
"949800"	173.081894	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-H+HCOOH"	44.998194
"366921"	301.165601	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+HCOOH-H"	44.998201
"355908"	315.181251	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+Hac-H"	59.013851
"1501823"	187.097551	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Hac-H"	59.013851
"969366"	195.063851	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-H+NaCOOH"	66.980151
"122648"	163.053102	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+2Cl"	69.938804
"560021"	227.094952	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+2Cl"	69.938804
"1031006"	99.011252	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2Cl"	69.938804
"1252773"	207.002585	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Br"	78.918885
"1315223"	209.058572	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Cl+HCOOH"	80.974872
"1332357"	231.040529	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Cl+NaCOOH"	102.956829
"919403"	241.069286	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M-H+CF3COOH"	112.985586
"1295750"	277.045964	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Cl+CF3COOH"	148.962264
"1378653"	93.071024	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H-2H2O"	-35.012676
"1391409"	111.081	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H-H2O"	-17.0027
"290367"	257.174676	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+H"	1.007276
"687529"	385.258376	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+H"	1.007276
"1362418"	129.090976	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H"	1.007276
"132755"	129.090976	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+2H"	2.014552
"577423"	193.132826	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+2H"	2.014552
"1043670"	65.049126	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2H"	2.014552
"208290"	86.3964093333333	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+3H"	3.021828
"646028"	129.090976	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+3H"	3.021828
"1165245"	43.7018426666667	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+3H"	3.021828
"430340"	274.201223	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+NH4"	18.033823
"795707"	402.284923	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+NH4"	18.033823
"1683654"	146.117523	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+NH4"	18.033823
"334849"	137.6042495	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+H+NH4"	19.041099
"726541"	201.6460995	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+H+NH4"	19.041099
"1481092"	73.5623995	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H+NH4"	19.041099
"395033"	279.156618	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+Na"	22.989218
"754362"	407.240318	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+Na"	22.989218
"1602798"	151.072918	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Na"	22.989218
"314890"	140.081947	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+H+Na"	23.996494
"707677"	204.123797	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+H+Na"	23.996494
"1462711"	76.040097	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H+Na"	23.996494
"1053646"	51.0291566666667	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2H+Na"	25.00377
"1257512"	161.117186	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+CH3OH+H"	33.033486
"378650"	295.130558	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+K"	38.963158
"739281"	423.214258	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+K"	38.963158
"1544250"	167.046858	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+K"	38.963158
"298861"	148.068917	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+H+K"	39.970434
"691814"	212.110767	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+H+K"	39.970434
"1445955"	84.027067	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H+K"	39.970434
"236261"	298.201226	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+ACN+H"	42.033826
"1210675"	170.117526	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+ACN+H"	42.033826
"1206725"	85.562401	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+ACN+2H"	43.041102
"197409"	301.13856	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+2Na-H"	44.97116
"633687"	429.22226	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+2Na-H"	44.97116
"1132816"	173.05486	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2Na-H"	44.97116
"173916"	151.072918	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+2Na"	45.978436
"613840"	215.114768	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+2Na"	45.978436
"1116496"	87.031068	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2Na"	45.978436
"1398934"	58.3564706666667	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H+2Na"	46.985712
"1430200"	175.096446	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H+HCOOH"	47.012746
"220869"	156.10594	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+3H2O+2H"	56.04448
"1508936"	189.14849	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+IsoProp+H"	61.06479
"417738"	159.059888	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+Na+K"	61.952376
"774723"	223.101738	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+Na+K"	61.952376
"1675064"	95.018038	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Na+K"	61.952376
"261581"	320.183168	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+ACN+Na"	64.015768
"1230280"	192.099468	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+ACN+Na"	64.015768
"1724269"	192.122993	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+NH4+HCOOH"	64.039293
"1187441"	65.6837846666667	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+3Na"	68.967654
"1659519"	197.078388	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Na+HCOOH"	68.994688
"164192"	333.08644	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+2K-H"	76.91904
"605940"	461.17014	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+2K-H"	76.91904
"1092639"	205.00274	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2K-H"	76.91904
"150549"	167.046858	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"2M+2K"	77.926316
"591203"	231.088708	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"3M+2K"	77.926316
"1076810"	103.005008	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2K"	77.926316
"1114150"	207.017292	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2K+H"	78.933592
"1346406"	207.104907	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+DMSO+H"	79.021207
"1014937"	211.144076	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2ACN+H"	83.060376
"1530876"	212.137708	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+IsoProp+Na+H"	84.054008
"994045"	106.075676	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+2ACN+2H"	84.067652
"1592922"	213.052328	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+K+HCOOH"	84.968628
"1416396"	243.083838	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+H+CF3COOH"	115.000138
"1148873"	126.588951	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+3ACN+2H"	125.094202
"1698055"	260.110385	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+NH4+CF3COOH"	132.026685
"1634440"	265.06578	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+Na+CF3COOH"	136.98208
"1575198"	281.03972	"C10976"	"1-Oxa-2-oxo-3-methylcycloheptane"	"C7H12O2"	"128.0837"	"M+K+CF3COOH"	152.95602
"815044"	340.9656	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M"	0
"987481"	321.94721	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-H2O-H"	-19.01839
"74994"	226.303124	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M-3H"	-3.021828
"516379"	339.958324	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M-3H"	-3.021828
"887987"	112.647924	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-3H"	-3.021828
"2553"	339.958324	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M-2H"	-2.014552
"445030"	510.441124	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M-2H"	-2.014552
"821739"	169.475524	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-2H"	-2.014552
"87194"	680.923924	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M-H"	-1.007276
"527850"	1021.889524	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M-H"	-1.007276
"900186"	339.958324	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-H"	-1.007276
"50186"	697.950471	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M-2H+NH4"	16.019271
"498487"	1038.916071	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M-2H+NH4"	16.019271
"871918"	356.984871	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-2H+NH4"	16.019271
"42006"	702.905866	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M-2H+Na"	20.974666
"477195"	1043.871466	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M-2H+Na"	20.974666
"856091"	361.940266	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-2H+Na"	20.974666
"1624528"	361.940266	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Na-2H"	20.974666
"95952"	357.946663	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M-H+Cl"	33.962126
"540618"	528.429463	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M-H+Cl"	33.962126
"930854"	187.463863	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-H+Cl"	33.962126
"274881"	716.900602	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+Cl"	34.969402
"665115"	1057.866202	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+Cl"	34.969402
"1285176"	375.935002	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Cl"	34.969402
"25546"	718.879806	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M-2H+K"	36.948606
"456482"	1059.845406	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M-2H+K"	36.948606
"836351"	377.914206	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-2H+K"	36.948606
"1559838"	377.914206	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+K-2H"	36.948606
"946627"	385.963794	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-H+HCOOH"	44.998194
"363750"	726.929401	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+HCOOH-H"	44.998201
"356382"	740.945051	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+Hac-H"	59.013851
"1501933"	399.979451	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Hac-H"	59.013851
"969476"	407.945751	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-H+NaCOOH"	66.980151
"118385"	375.935002	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+2Cl"	69.938804
"560131"	546.417802	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+2Cl"	69.938804
"1033304"	205.452202	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2Cl"	69.938804
"1248507"	419.884485	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Br"	78.918885
"1314240"	421.940472	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Cl+HCOOH"	80.974872
"1328454"	443.922429	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Cl+NaCOOH"	102.956829
"921700"	453.951186	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M-H+CF3COOH"	112.985586
"1294035"	489.927864	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Cl+CF3COOH"	148.962264
"1378763"	305.952924	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H-2H2O"	-35.012676
"1391883"	323.9629	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H-H2O"	-17.0027
"293757"	682.938476	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+H"	1.007276
"687640"	1023.904076	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+H"	1.007276
"1358152"	341.972876	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H"	1.007276
"132136"	341.972876	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+2H"	2.014552
"576805"	512.455676	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+2H"	2.014552
"1043780"	171.490076	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2H"	2.014552
"207306"	228.317676	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+3H"	3.021828
"646139"	341.972876	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+3H"	3.021828
"1164627"	114.662476	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+3H"	3.021828
"427170"	699.965023	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+NH4"	18.033823
"793629"	1040.930623	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+NH4"	18.033823
"1685221"	358.999423	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+NH4"	18.033823
"334231"	350.4861495	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+H+NH4"	19.041099
"725558"	520.9689495	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+H+NH4"	19.041099
"1481202"	180.0033495	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H+NH4"	19.041099
"394778"	704.920418	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+Na"	22.989218
"755773"	1045.886018	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+Na"	22.989218
"1605693"	363.954818	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Na"	22.989218
"316824"	352.963847	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+H+Na"	23.996494
"710339"	523.446647	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+H+Na"	23.996494
"1462943"	182.481047	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H+Na"	23.996494
"1053027"	121.98979	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2H+Na"	25.00377
"1257629"	373.999086	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+CH3OH+H"	33.033486
"379852"	720.894358	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+K"	38.963158
"738901"	1061.859958	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+K"	38.963158
"1543995"	379.928758	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+K"	38.963158
"298857"	360.950817	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+H+K"	39.970434
"691886"	531.433617	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+H+K"	39.970434
"1446801"	190.468017	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H+K"	39.970434
"236618"	723.965026	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+ACN+H"	42.033826
"1210785"	382.999426	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+ACN+H"	42.033826
"1207564"	192.003351	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+ACN+2H"	43.041102
"194601"	726.90236	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+2Na-H"	44.97116
"633066"	1067.86796	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+2Na-H"	44.97116
"1132318"	385.93676	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2Na-H"	44.97116
"174753"	363.954818	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+2Na"	45.978436
"614679"	534.437618	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+2Na"	45.978436
"1116404"	193.472018	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2Na"	45.978436
"1399407"	129.317104	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H+2Na"	46.985712
"1431405"	387.978346	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H+HCOOH"	47.012746
"221705"	368.98784	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+3H2O+2H"	56.04448
"1509406"	402.03039	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+IsoProp+H"	61.06479
"417484"	371.941788	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+Na+K"	61.952376
"775562"	542.424588	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+Na+K"	61.952376
"1672987"	201.458988	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Na+K"	61.952376
"258411"	745.946968	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+ACN+Na"	64.015768
"1231119"	404.981368	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+ACN+Na"	64.015768
"1723286"	405.004893	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+NH4+HCOOH"	64.039293
"1191560"	136.644418	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+3Na"	68.967654
"1659629"	409.960288	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Na+HCOOH"	68.994688
"167582"	758.85024	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+2K-H"	76.91904
"603864"	1099.81584	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+2K-H"	76.91904
"1094936"	417.88464	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2K-H"	76.91904
"151752"	379.928758	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"2M+2K"	77.926316
"590220"	550.411558	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"3M+2K"	77.926316
"1076920"	209.445958	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2K"	77.926316
"1113288"	419.899192	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2K+H"	78.933592
"1348702"	419.986807	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+DMSO+H"	79.021207
"1013954"	424.025976	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2ACN+H"	83.060376
"1529893"	425.019608	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+IsoProp+Na+H"	84.054008
"994152"	212.516626	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+2ACN+2H"	84.067652
"1590846"	425.934228	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+K+HCOOH"	84.968628
"1420878"	455.965738	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+H+CF3COOH"	115.000138
"1148983"	233.029901	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+3ACN+2H"	125.094202
"1698167"	472.992285	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+NH4+CF3COOH"	132.026685
"1634429"	477.94768	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+Na+CF3COOH"	136.98208
"1575308"	493.92162	"C10977"	"Thiadiazolidinethione;5-(4-Bromophenylimino)-34-tetramethylene-134-thiadiazolidine-2-thione"	"C12H12BrN3S2"	"340.9656"	"M+K+CF3COOH"	152.95602
"816611"	340.9656	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M"	0
"988686"	321.94721	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-H2O-H"	-19.01839
"75470"	226.303124	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M-3H"	-3.021828
"516126"	339.958324	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M-3H"	-3.021828
"889192"	112.647924	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-3H"	-3.021828
"7767"	339.958324	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M-2H"	-2.014552
"445142"	510.441124	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M-2H"	-2.014552
"821849"	169.475524	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-2H"	-2.014552
"86211"	680.923924	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M-H"	-1.007276
"527960"	1021.889524	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M-H"	-1.007276
"898473"	339.958324	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-H"	-1.007276
"49204"	697.950471	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M-2H+NH4"	16.019271
"495317"	1038.916071	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M-2H+NH4"	16.019271
"873121"	356.984871	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-2H+NH4"	16.019271
"41022"	702.905866	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M-2H+Na"	20.974666
"478400"	1043.871466	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M-2H+Na"	20.974666
"858388"	361.940266	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-2H+Na"	20.974666
"1624638"	361.940266	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Na-2H"	20.974666
"96427"	357.946663	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M-H+Cl"	33.962126
"537447"	528.429463	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M-H+Cl"	33.962126
"929870"	187.463863	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-H+Cl"	33.962126
"276084"	716.900602	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+Cl"	34.969402
"664132"	1057.866202	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+Cl"	34.969402
"1285286"	375.935002	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Cl"	34.969402
"26749"	718.879806	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M-2H+K"	36.948606
"461940"	1059.845406	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M-2H+K"	36.948606
"837555"	377.914206	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-2H+K"	36.948606
"1562135"	377.914206	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+K-2H"	36.948606
"944550"	385.963794	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-H+HCOOH"	44.998194
"364953"	726.929401	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+HCOOH-H"	44.998201
"358679"	740.945051	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+Hac-H"	59.013851
"1505324"	399.979451	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Hac-H"	59.013851
"971771"	407.945751	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-H+NaCOOH"	66.980151
"117398"	375.935002	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+2Cl"	69.938804
"553676"	546.417802	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+2Cl"	69.938804
"1027945"	205.452202	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2Cl"	69.938804
"1250804"	419.884485	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Br"	78.918885
"1312162"	421.940472	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Cl+HCOOH"	80.974872
"1326377"	443.922429	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Cl+NaCOOH"	102.956829
"918529"	453.951186	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M-H+CF3COOH"	112.985586
"1294143"	489.927864	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Cl+CF3COOH"	148.962264
"1380697"	305.952924	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H-2H2O"	-35.012676
"1390900"	323.9629	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H-H2O"	-17.0027
"290586"	682.938476	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+H"	1.007276
"682646"	1023.904076	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+H"	1.007276
"1356072"	341.972876	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H"	1.007276
"131151"	341.972876	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+2H"	2.014552
"576187"	512.455676	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+2H"	2.014552
"1043890"	171.490076	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2H"	2.014552
"206687"	228.317676	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+3H"	3.021828
"649165"	341.972876	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+3H"	3.021828
"1165103"	114.662476	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+3H"	3.021828
"429466"	699.965023	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+NH4"	18.033823
"793738"	1040.930623	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+NH4"	18.033823
"1687153"	358.999423	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+NH4"	18.033823
"333247"	350.4861495	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+H+NH4"	19.041099
"726397"	520.9689495	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+H+NH4"	19.041099
"1481676"	180.0033495	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H+NH4"	19.041099
"395617"	704.920418	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+Na"	22.989218
"755882"	1045.886018	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+Na"	22.989218
"1602739"	363.954818	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Na"	22.989218
"316935"	352.963847	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+H+Na"	23.996494
"710450"	523.446647	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+H+Na"	23.996494
"1462932"	182.481047	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H+Na"	23.996494
"1053135"	121.98979	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2H+Na"	25.00377
"1258104"	373.999086	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+CH3OH+H"	33.033486
"378870"	720.894358	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+K"	38.963158
"740592"	1061.859958	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+K"	38.963158
"1543377"	379.928758	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+K"	38.963158
"301642"	360.950817	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+H+K"	39.970434
"693335"	531.433617	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+H+K"	39.970434
"1448249"	190.468017	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H+K"	39.970434
"236852"	723.965026	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+ACN+H"	42.033826
"1212479"	382.999426	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+ACN+H"	42.033826
"1204758"	192.003351	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+ACN+2H"	43.041102
"194347"	726.90236	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+2Na-H"	44.97116
"632812"	1067.86796	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+2Na-H"	44.97116
"1132428"	385.93676	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2Na-H"	44.97116
"173767"	363.954818	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+2Na"	45.978436
"613330"	534.437618	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+2Na"	45.978436
"1116839"	193.472018	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2Na"	45.978436
"1398786"	129.317104	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H+2Na"	46.985712
"1430377"	387.978346	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H+HCOOH"	47.012746
"220723"	368.98784	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+3H2O+2H"	56.04448
"1509519"	402.03039	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+IsoProp+H"	61.06479
"415770"	371.941788	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+Na+K"	61.952376
"776766"	542.424588	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+Na+K"	61.952376
"1670908"	201.458988	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Na+K"	61.952376
"255604"	745.946968	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+ACN+Na"	64.015768
"1230500"	404.981368	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+ACN+Na"	64.015768
"1719386"	405.004893	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+NH4+HCOOH"	64.039293
"1191306"	136.644418	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+3Na"	68.967654
"1661927"	409.960288	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Na+HCOOH"	68.994688
"165506"	758.85024	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+2K-H"	76.91904
"602151"	1099.81584	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+2K-H"	76.91904
"1095046"	417.88464	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2K-H"	76.91904
"150769"	379.928758	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"2M+2K"	77.926316
"591423"	550.411558	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"3M+2K"	77.926316
"1079216"	209.445958	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2K"	77.926316
"1114979"	419.899192	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2K+H"	78.933592
"1347719"	419.986807	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+DMSO+H"	79.021207
"1012972"	424.025976	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2ACN+H"	83.060376
"1530005"	425.019608	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+IsoProp+Na+H"	84.054008
"996453"	212.516626	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+2ACN+2H"	84.067652
"1590956"	425.934228	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+K+HCOOH"	84.968628
"1422083"	455.965738	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+H+CF3COOH"	115.000138
"1149093"	233.029901	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+3ACN+2H"	125.094202
"1698644"	472.992285	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+NH4+CF3COOH"	132.026685
"1634779"	477.94768	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+Na+CF3COOH"	136.98208
"1576511"	493.92162	"C10978"	"Triazolidinedithione;4-Bromophenyl-12-tetramethylene-124-triazolidine-35-dithione"	"C12H12BrN3S2"	"340.9656"	"M+K+CF3COOH"	152.95602
"815628"	331.0014	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M"	0
"988918"	311.98301	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-H2O-H"	-19.01839
"75214"	219.660324	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M-3H"	-3.021828
"514776"	329.994124	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M-3H"	-3.021828
"887115"	109.326524	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-3H"	-3.021828
"4597"	329.994124	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M-2H"	-2.014552
"444158"	495.494824	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M-2H"	-2.014552
"821959"	164.493424	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-2H"	-2.014552
"84138"	660.995524	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M-H"	-1.007276
"528070"	991.996924	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M-H"	-1.007276
"898219"	329.994124	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-H"	-1.007276
"49310"	678.022071	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M-2H+NH4"	16.019271
"495427"	1009.023471	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M-2H+NH4"	16.019271
"873231"	347.020671	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-2H+NH4"	16.019271
"40039"	682.977466	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M-2H+Na"	20.974666
"478510"	1013.978866	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M-2H+Na"	20.974666
"858498"	351.976066	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-2H+Na"	20.974666
"1622562"	351.976066	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Na-2H"	20.974666
"96901"	347.982463	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M-H+Cl"	33.962126
"537557"	513.483163	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M-H+Cl"	33.962126
"928886"	182.481763	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-H+Cl"	33.962126
"275101"	696.972202	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+Cl"	34.969402
"664242"	1027.973602	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+Cl"	34.969402
"1282117"	365.970802	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Cl"	34.969402
"23579"	698.951406	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M-2H+K"	36.948606
"462046"	1029.952806	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M-2H+K"	36.948606
"837665"	367.950006	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-2H+K"	36.948606
"1565525"	367.950006	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+K-2H"	36.948606
"944660"	375.999594	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-H+HCOOH"	44.998194
"365063"	707.001001	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+HCOOH-H"	44.998201
"359518"	721.016651	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+Hac-H"	59.013851
"1506527"	390.015251	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Hac-H"	59.013851
"971881"	397.981551	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-H+NaCOOH"	66.980151
"117508"	365.970802	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+2Cl"	69.938804
"551600"	531.471502	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+2Cl"	69.938804
"1028055"	200.470102	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2Cl"	69.938804
"1250914"	409.920285	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Br"	78.918885
"1312271"	411.976272	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Cl+HCOOH"	80.974872
"1325393"	433.958229	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Cl+NaCOOH"	102.956829
"917546"	443.986986	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M-H+CF3COOH"	112.985586
"1293524"	479.963664	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Cl+CF3COOH"	148.962264
"1378618"	295.988724	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H-2H2O"	-35.012676
"1387728"	313.9987	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H-H2O"	-17.0027
"290696"	663.010076	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+H"	1.007276
"682024"	994.011476	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+H"	1.007276
"1353994"	332.008676	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H"	1.007276
"127250"	332.008676	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+2H"	2.014552
"576660"	497.509376	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+2H"	2.014552
"1044000"	166.507976	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2H"	2.014552
"206068"	221.674876	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+3H"	3.021828
"645995"	332.008676	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+3H"	3.021828
"1165576"	111.341076	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+3H"	3.021828
"428481"	680.036623	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+NH4"	18.033823
"789475"	1011.038023	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+NH4"	18.033823
"1684712"	349.035223	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+NH4"	18.033823
"334087"	340.5219495	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+H+NH4"	19.041099
"726506"	506.0226495	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+H+NH4"	19.041099
"1482513"	175.0212495	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H+NH4"	19.041099
"396819"	684.992018	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+Na"	22.989218
"757814"	1015.993418	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+Na"	22.989218
"1602748"	353.990618	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Na"	22.989218
"314369"	342.999647	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+H+Na"	23.996494
"709466"	508.500347	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+H+Na"	23.996494
"1461584"	177.498947	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H+Na"	23.996494
"1052775"	118.66839	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2H+Na"	25.00377
"1257239"	364.034886	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+CH3OH+H"	33.033486
"377394"	700.965958	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+K"	38.963158
"739972"	1031.967358	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+K"	38.963158
"1540023"	369.964558	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+K"	38.963158
"299200"	350.986617	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+H+K"	39.970434
"694902"	516.487317	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+H+K"	39.970434
"1447629"	185.485917	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H+K"	39.970434
"235946"	704.036626	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+ACN+H"	42.033826
"1211494"	373.035226	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+ACN+H"	42.033826
"1201587"	187.021251	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+ACN+2H"	43.041102
"194457"	706.97396	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+2Na-H"	44.97116
"629393"	1037.97536	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+2Na-H"	44.97116
"1131642"	375.97256	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2Na-H"	44.97116
"174965"	353.990618	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+2Na"	45.978436
"613315"	519.491318	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+2Na"	45.978436
"1116093"	188.489918	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2Na"	45.978436
"1399498"	125.995704	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H+2Na"	46.985712
"1429886"	378.014146	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H+HCOOH"	47.012746
"221928"	359.02364	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+3H2O+2H"	56.04448
"1510357"	392.06619	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+IsoProp+H"	61.06479
"418067"	361.977588	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+Na+K"	61.952376
"781979"	527.478288	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+Na+K"	61.952376
"1669925"	196.476888	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Na+K"	61.952376
"252798"	726.018568	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+ACN+Na"	64.015768
"1228788"	395.017168	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+ACN+Na"	64.015768
"1718403"	395.040693	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+NH4+HCOOH"	64.039293
"1189230"	133.323018	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+3Na"	68.967654
"1661673"	399.996088	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Na+HCOOH"	68.994688
"165616"	738.92184	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+2K-H"	76.91904
"603354"	1069.92324	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+2K-H"	76.91904
"1095156"	407.92044	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2K-H"	76.91904
"150879"	369.964558	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"2M+2K"	77.926316
"591533"	535.465258	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"3M+2K"	77.926316
"1078233"	204.463858	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2K"	77.926316
"1112536"	409.934992	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2K+H"	78.933592
"1347829"	410.022607	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+DMSO+H"	79.021207
"1013082"	414.061776	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2ACN+H"	83.060376
"1527199"	415.055408	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+IsoProp+Na+H"	84.054008
"994376"	207.534526	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+2ACN+2H"	84.067652
"1592158"	415.970028	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+K+HCOOH"	84.968628
"1422193"	446.001538	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+H+CF3COOH"	115.000138
"1148474"	228.047801	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+3ACN+2H"	125.094202
"1698754"	463.028085	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+NH4+CF3COOH"	132.026685
"1634407"	467.98348	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+Na+CF3COOH"	136.98208
"1577714"	483.95742	"C10979"	"Chlozolinate;Dichlozolinate"	"C13H11Cl2NO5"	"331.0014"	"M+K+CF3COOH"	152.95602
"815009"	422.126	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M"	0
"987811"	403.10761	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-H2O-H"	-19.01839
"74231"	280.410057333333	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M-3H"	-3.021828
"517074"	421.118724	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M-3H"	-3.021828
"882123"	139.701390666667	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-3H"	-3.021828
"5801"	421.118724	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M-2H"	-2.014552
"443539"	632.181724	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M-2H"	-2.014552
"823164"	210.055724	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-2H"	-2.014552
"87525"	843.244724	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M-H"	-1.007276
"524902"	1265.370724	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M-H"	-1.007276
"897236"	421.118724	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-H"	-1.007276
"58169"	860.271271	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M-2H+NH4"	16.019271
"496635"	1282.397271	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M-2H+NH4"	16.019271
"876623"	438.145271	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-2H+NH4"	16.019271
"37964"	865.226666	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M-2H+Na"	20.974666
"477526"	1287.352666	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M-2H+Na"	20.974666
"853140"	443.100666	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-2H+Na"	20.974666
"1625953"	443.100666	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Na-2H"	20.974666
"103576"	439.107063	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M-H+Cl"	33.962126
"539857"	650.170063	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M-H+Cl"	33.962126
"937747"	228.044063	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-H+Cl"	33.962126
"276304"	879.221402	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+Cl"	34.969402
"666538"	1301.347402	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+Cl"	34.969402
"1284415"	457.095402	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Cl"	34.969402
"27701"	881.200606	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M-2H+K"	36.948606
"464342"	1303.326606	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M-2H+K"	36.948606
"839961"	459.074606	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-2H+K"	36.948606
"1559075"	459.074606	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+K-2H"	36.948606
"949146"	467.124194	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-H+HCOOH"	44.998194
"367360"	889.250201	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+HCOOH-H"	44.998201
"350149"	903.265851	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+Hac-H"	59.013851
"1498983"	481.139851	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Hac-H"	59.013851
"967620"	489.106151	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-H+NaCOOH"	66.980151
"120900"	457.095402	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+2Cl"	69.938804
"554992"	668.158402	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+2Cl"	69.938804
"1034728"	246.032402	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2Cl"	69.938804
"1249933"	501.044885	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Br"	78.918885
"1311288"	503.100872	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Cl+HCOOH"	80.974872
"1333158"	525.082829	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Cl+NaCOOH"	102.956829
"920936"	535.111586	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M-H+CF3COOH"	112.985586
"1295456"	571.088264	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Cl+CF3COOH"	148.962264
"1375810"	387.113324	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H-2H2O"	-35.012676
"1388932"	405.1233	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H-H2O"	-17.0027
"287525"	845.259276	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+H"	1.007276
"682134"	1267.385276	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+H"	1.007276
"1352647"	423.133276	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H"	1.007276
"128453"	423.133276	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+2H"	2.014552
"576042"	634.196276	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+2H"	2.014552
"1044110"	212.070276	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2H"	2.014552
"207636"	282.424609333333	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+3H"	3.021828
"649386"	423.133276	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+3H"	3.021828
"1163175"	141.715942666667	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+3H"	3.021828
"425311"	862.285823	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+NH4"	18.033823
"787763"	1284.411823	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+NH4"	18.033823
"1683002"	440.159823	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+NH4"	18.033823
"333469"	431.6465495	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+H+NH4"	19.041099
"725523"	642.7095495	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+H+NH4"	19.041099
"1479343"	220.5835495	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H+NH4"	19.041099
"399118"	867.241218	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+Na"	22.989218
"755859"	1289.367218	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+Na"	22.989218
"1603349"	445.115218	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Na"	22.989218
"314555"	434.124247	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+H+Na"	23.996494
"707303"	645.187247	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+H+Na"	23.996494
"1462051"	223.061247	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H+Na"	23.996494
"1053110"	149.043256666667	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2H+Na"	25.00377
"1257226"	455.159486	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+CH3OH+H"	33.033486
"377992"	883.215158	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+K"	38.963158
"738670"	1305.341158	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+K"	38.963158
"1539927"	461.089158	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+K"	38.963158
"298669"	442.111217	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+H+K"	39.970434
"692461"	653.174217	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+H+K"	39.970434
"1446648"	231.048217	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H+K"	39.970434
"236338"	886.285826	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+ACN+H"	42.033826
"1211241"	464.159826	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+ACN+H"	42.033826
"1201697"	232.583551	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+ACN+2H"	43.041102
"190553"	889.22316	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+2Na-H"	44.97116
"629260"	1311.34916	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+2Na-H"	44.97116
"1131673"	467.09716	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2Na-H"	44.97116
"173986"	445.115218	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+2Na"	45.978436
"613466"	656.178218	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+2Na"	45.978436
"1116164"	234.052218	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2Na"	45.978436
"1399731"	156.370570666667	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H+2Na"	46.985712
"1430752"	469.138746	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H+HCOOH"	47.012746
"221066"	450.14824	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+3H2O+2H"	56.04448
"1508718"	483.19079	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+IsoProp+H"	61.06479
"410157"	453.102188	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+Na+K"	61.952376
"774433"	664.165188	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+Na+K"	61.952376
"1670763"	242.039188	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Na+K"	61.952376
"254731"	908.267768	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+ACN+Na"	64.015768
"1229627"	486.141768	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+ACN+Na"	64.015768
"1717418"	486.165293	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+NH4+HCOOH"	64.039293
"1188612"	163.697884666667	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+3Na"	68.967654
"1657774"	491.120688	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Na+HCOOH"	68.994688
"165727"	921.17104	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+2K-H"	76.91904
"603099"	1343.29704	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+2K-H"	76.91904
"1091986"	499.04504	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2K-H"	76.91904
"150992"	461.089158	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"2M+2K"	77.926316
"588363"	672.152158	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"3M+2K"	77.926316
"1077250"	250.026158	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2K"	77.926316
"1110459"	501.059592	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2K+H"	78.933592
"1345752"	501.147207	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+DMSO+H"	79.021207
"1012097"	505.186376	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2ACN+H"	83.060376
"1529129"	506.180008	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+IsoProp+Na+H"	84.054008
"994487"	253.096826	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+2ACN+2H"	84.067652
"1590084"	507.094628	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+K+HCOOH"	84.968628
"1420117"	537.126138	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+H+CF3COOH"	115.000138
"1148584"	273.610101	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+3ACN+2H"	125.094202
"1697765"	554.152685	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+NH4+CF3COOH"	132.026685
"1639988"	559.10808	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+Na+CF3COOH"	136.98208
"1577824"	575.08202	"C10980"	"Bifenthrin"	"C23H22ClF3O2"	"422.126"	"M+K+CF3COOH"	152.95602
"815484"	284.9959	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M"	0
"989141"	265.97751	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-H2O-H"	-19.01839
"72154"	188.989990666667	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M-3H"	-3.021828
"515727"	283.988624	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M-3H"	-3.021828
"891709"	93.9913573333333	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-3H"	-3.021828
"8098"	283.988624	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M-2H"	-2.014552
"444379"	426.486574	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M-2H"	-2.014552
"823275"	141.490674	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-2H"	-2.014552
"83264"	568.984524	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M-H"	-1.007276
"523921"	853.980424	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M-H"	-1.007276
"899534"	283.988624	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-H"	-1.007276
"51720"	586.011071	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M-2H+NH4"	16.019271
"496744"	871.006971	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M-2H+NH4"	16.019271
"875641"	301.015171	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-2H+NH4"	16.019271
"35888"	590.966466	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M-2H+Na"	20.974666
"472292"	875.962366	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M-2H+Na"	20.974666
"856532"	305.970566	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-2H+Na"	20.974666
"1628251"	305.970566	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Na-2H"	20.974666
"102594"	301.976963	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M-H+Cl"	33.962126
"538874"	444.474913	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M-H+Cl"	33.962126
"935670"	159.479013	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-H+Cl"	33.962126
"275321"	604.961202	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+Cl"	34.969402
"672118"	889.957102	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+Cl"	34.969402
"1282338"	319.965302	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Cl"	34.969402
"27811"	606.940406	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M-2H+K"	36.948606
"462267"	891.936306	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M-2H+K"	36.948606
"838978"	321.944506	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-2H+K"	36.948606
"1558092"	321.944506	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+K-2H"	36.948606
"950351"	329.994094	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-H+HCOOH"	44.998194
"365282"	614.990001	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+HCOOH-H"	44.998201
"348072"	629.005651	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+Hac-H"	59.013851
"1499095"	344.009751	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Hac-H"	59.013851
"971011"	351.976051	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-H+NaCOOH"	66.980151
"116637"	319.965302	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+2Cl"	69.938804
"554009"	462.463252	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+2Cl"	69.938804
"1033745"	177.467352	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2Cl"	69.938804
"1251139"	363.914785	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Br"	78.918885
"1310305"	365.970772	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Cl+HCOOH"	80.974872
"1329988"	387.952729	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Cl+NaCOOH"	102.956829
"919953"	397.981486	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M-H+CF3COOH"	112.985586
"1291194"	433.958164	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Cl+CF3COOH"	148.962264
"1375920"	249.983224	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H-2H2O"	-35.012676
"1390135"	267.9932	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H-H2O"	-17.0027
"292009"	570.999076	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+H"	1.007276
"682244"	855.994976	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+H"	1.007276
"1355312"	286.003176	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H"	1.007276
"129295"	286.003176	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+2H"	2.014552
"575421"	428.501126	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+2H"	2.014552
"1040940"	143.505226	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2H"	2.014552
"205436"	191.004542666667	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+3H"	3.021828
"650589"	286.003176	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+3H"	3.021828
"1164704"	96.0059093333333	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+3H"	3.021828
"426516"	588.025623	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+NH4"	18.033823
"787512"	873.021523	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+NH4"	18.033823
"1683844"	303.029723	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+NH4"	18.033823
"335406"	294.5164495	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+H+NH4"	19.041099
"724537"	437.0143995	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+H+NH4"	19.041099
"1479089"	152.0184995	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H+NH4"	19.041099
"397041"	592.981018	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+Na"	22.989218
"756941"	877.976918	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+Na"	22.989218
"1603580"	307.985118	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Na"	22.989218
"315565"	296.994147	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+H+Na"	23.996494
"707854"	439.492097	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+H+Na"	23.996494
"1462039"	154.496197	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H+Na"	23.996494
"1053350"	103.333223333333	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2H+Na"	25.00377
"1257458"	318.029386	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+CH3OH+H"	33.033486
"377409"	608.954958	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+K"	38.963158
"739210"	893.950858	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+K"	38.963158
"1540208"	323.959058	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+K"	38.963158
"299295"	304.981117	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+H+K"	39.970434
"693664"	447.479067	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+H+K"	39.970434
"1446392"	162.483167	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H+K"	39.970434
"236090"	612.025626	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+ACN+H"	42.033826
"1210617"	327.029726	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+ACN+H"	42.033826
"1202902"	164.018501	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+ACN+2H"	43.041102
"193584"	614.96296	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+2Na-H"	44.97116
"630225"	899.95886	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+2Na-H"	44.97116
"1131908"	329.96706	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2Na-H"	44.97116
"173492"	307.985118	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+2Na"	45.978436
"613537"	450.483068	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+2Na"	45.978436
"1116559"	165.487168	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2Na"	45.978436
"1399231"	110.660537333333	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H+2Na"	46.985712
"1430417"	332.008646	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H+HCOOH"	47.012746
"220131"	313.01814	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+3H2O+2H"	56.04448
"1508466"	346.06069	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+IsoProp+H"	61.06479
"409088"	315.972088	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+Na+K"	61.952376
"774178"	458.470038	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+Na+K"	61.952376
"1670145"	173.474138	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Na+K"	61.952376
"255571"	634.007568	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+ACN+Na"	64.015768
"1229737"	349.011668	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+ACN+Na"	64.015768
"1717164"	349.035193	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+NH4+HCOOH"	64.039293
"1189082"	117.987851333333	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+3Na"	68.967654
"1658978"	353.990588	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Na+HCOOH"	68.994688
"166930"	646.91084	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+2K-H"	76.91904
"605398"	931.90674	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+2K-H"	76.91904
"1089911"	361.91494	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2K-H"	76.91904
"148916"	323.959058	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"2M+2K"	77.926316
"593941"	466.457008	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"3M+2K"	77.926316
"1080641"	181.461108	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2K"	77.926316
"1112755"	363.929492	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2K+H"	78.933592
"1349995"	364.017107	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+DMSO+H"	79.021207
"1014394"	368.056276	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2ACN+H"	83.060376
"1531426"	369.049908	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+IsoProp+Na+H"	84.054008
"994597"	184.531776	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+2ACN+2H"	84.067652
"1591286"	369.964528	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+K+HCOOH"	84.968628
"1419134"	399.996038	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+H+CF3COOH"	115.000138
"1148331"	205.045051	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+3ACN+2H"	125.094202
"1698242"	417.022585	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+NH4+CF3COOH"	132.026685
"1640098"	421.97798	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+Na+CF3COOH"	136.98208
"1576841"	437.95192	"C10981"	"Vinclozolin"	"C12H9Cl2NO3"	"284.9959"	"M+K+CF3COOH"	152.95602
"815959"	433.0648	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M"	0
"989246"	414.04641	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-H2O-H"	-19.01839
"70075"	287.702590666667	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M-3H"	-3.021828
"512919"	432.057524	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M-3H"	-3.021828
"890725"	143.347657333333	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-3H"	-3.021828
"11488"	432.057524	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M-2H"	-2.014552
"447768"	648.589924	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M-2H"	-2.014552
"823384"	215.525124	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-2H"	-2.014552
"84467"	865.122324	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M-H"	-1.007276
"525124"	1298.187124	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M-H"	-1.007276
"899643"	432.057524	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-H"	-1.007276
"55110"	882.148871	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M-2H+NH4"	16.019271
"493575"	1315.213671	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M-2H+NH4"	16.019271
"869190"	449.084071	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-2H+NH4"	16.019271
"35995"	887.104266	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M-2H+Na"	20.974666
"473373"	1320.169066	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M-2H+Na"	20.974666
"856642"	454.039466	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-2H+Na"	20.974666
"1626174"	454.039466	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Na-2H"	20.974666
"99423"	450.045863	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M-H+Cl"	33.962126
"535703"	666.578263	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M-H+Cl"	33.962126
"936873"	233.513463	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-H+Cl"	33.962126
"277617"	901.099002	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+Cl"	34.969402
"673321"	1334.163802	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+Cl"	34.969402
"1282448"	468.034202	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Cl"	34.969402
"27921"	903.078206	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M-2H+K"	36.948606
"462377"	1336.143006	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M-2H+K"	36.948606
"845284"	470.013406	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-2H+K"	36.948606
"1567679"	470.013406	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+K-2H"	36.948606
"947179"	478.062994	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-H+HCOOH"	44.998194
"368671"	911.127801	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+HCOOH-H"	44.998201
"350003"	925.143451	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+Hac-H"	59.013851
"1496286"	492.078651	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Hac-H"	59.013851
"963461"	500.044951	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-H+NaCOOH"	66.980151
"118932"	468.034202	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+2Cl"	69.938804
"559585"	684.566602	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+2Cl"	69.938804
"1032760"	251.501802	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2Cl"	69.938804
"1251249"	511.983685	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Br"	78.918885
"1312601"	514.039672	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Cl+HCOOH"	80.974872
"1333014"	536.021629	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Cl+NaCOOH"	102.956829
"918969"	546.050386	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M-H+CF3COOH"	112.985586
"1293489"	582.027064	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Cl+CF3COOH"	148.962264
"1369829"	398.052124	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H-2H2O"	-35.012676
"1390245"	416.0621	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H-H2O"	-17.0027
"291025"	867.136876	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+H"	1.007276
"681261"	1300.201676	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+H"	1.007276
"1356515"	434.072076	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H"	1.007276
"130497"	434.072076	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+2H"	2.014552
"574803"	650.604476	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+2H"	2.014552
"1041050"	217.539676	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2H"	2.014552
"208219"	289.717142666667	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+3H"	3.021828
"649606"	434.072076	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+3H"	3.021828
"1165543"	145.362209333333	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+3H"	3.021828
"425898"	884.163423	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+NH4"	18.033823
"788717"	1317.228223	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+NH4"	18.033823
"1685049"	451.098623	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+NH4"	18.033823
"335516"	442.5853495	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+H+NH4"	19.041099
"726107"	659.1177495	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+H+NH4"	19.041099
"1480659"	226.0529495	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H+NH4"	19.041099
"402617"	889.118818	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+Na"	22.989218
"761425"	1322.183618	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+Na"	22.989218
"1603936"	456.054018	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Na"	22.989218
"315186"	445.063047	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+H+Na"	23.996494
"707849"	661.595447	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+H+Na"	23.996494
"1461421"	228.530647	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H+Na"	23.996494
"1053459"	152.689523333333	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2H+Na"	25.00377
"1258054"	466.098286	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+CH3OH+H"	33.033486
"378207"	905.092758	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+K"	38.963158
"738682"	1338.157558	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+K"	38.963158
"1541257"	472.027958	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+K"	38.963158
"300621"	453.050017	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+H+K"	39.970434
"693774"	669.582417	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+H+K"	39.970434
"1446987"	236.517617	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H+K"	39.970434
"236317"	908.163426	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+ACN+H"	42.033826
"1210484"	475.098626	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+ACN+H"	42.033826
"1200825"	238.052951	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+ACN+2H"	43.041102
"194787"	911.10076	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+2Na-H"	44.97116
"632158"	1344.16556	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+2Na-H"	44.97116
"1132628"	478.03596	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2Na-H"	44.97116
"174938"	456.054018	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+2Na"	45.978436
"614862"	672.586418	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+2Na"	45.978436
"1116667"	239.521618	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2Na"	45.978436
"1398979"	160.016837333333	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H+2Na"	46.985712
"1430243"	480.077546	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H+HCOOH"	47.012746
"221896"	461.08704	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+3H2O+2H"	56.04448
"1508463"	494.12959	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+IsoProp+H"	61.06479
"408916"	464.040988	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+Na+K"	61.952376
"773924"	680.573388	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+Na+K"	61.952376
"1670255"	247.508588	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Na+K"	61.952376
"254587"	930.145368	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+ACN+Na"	64.015768
"1231669"	497.080568	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+ACN+Na"	64.015768
"1717274"	497.104093	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+NH4+HCOOH"	64.039293
"1188099"	167.344151333333	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+3Na"	68.967654
"1660181"	502.059488	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Na+HCOOH"	68.994688
"167041"	943.04864	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+2K-H"	76.91904
"606601"	1376.11344	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+2K-H"	76.91904
"1091114"	509.98384	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2K-H"	76.91904
"147933"	472.027958	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"2M+2K"	77.926316
"591865"	688.560358	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"3M+2K"	77.926316
"1081844"	255.495558	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2K"	77.926316
"1112865"	511.998392	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2K+H"	78.933592
"1349133"	512.086007	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+DMSO+H"	79.021207
"1019727"	516.125176	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2ACN+H"	83.060376
"1529351"	517.118808	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+IsoProp+Na+H"	84.054008
"994707"	258.566226	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+2ACN+2H"	84.067652
"1592488"	518.033428	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+K+HCOOH"	84.968628
"1418147"	548.064938	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+H+CF3COOH"	115.000138
"1149534"	279.079501	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+3ACN+2H"	125.094202
"1697382"	565.091485	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+NH4+CF3COOH"	132.026685
"1640208"	570.04688	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+Na+CF3COOH"	136.98208
"1576951"	586.02082	"C10982"	"Cyfluthrin"	"C22H18Cl2FNO3"	"433.0648"	"M+K+CF3COOH"	152.95602
"816434"	449.1006	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M"	0
"987412"	430.08221	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-H2O-H"	-19.01839
"72374"	298.393124	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M-3H"	-3.021828
"517282"	448.093324	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M-3H"	-3.021828
"886461"	148.692924	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-3H"	-3.021828
"10505"	448.093324	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M-2H"	-2.014552
"448974"	672.643624	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M-2H"	-2.014552
"828599"	223.543024	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-2H"	-2.014552
"90045"	897.193924	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M-H"	-1.007276
"525234"	1346.294524	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M-H"	-1.007276
"907410"	448.093324	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-H"	-1.007276
"58500"	914.220471	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M-2H+NH4"	16.019271
"493685"	1363.321071	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M-2H+NH4"	16.019271
"870393"	465.119871	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-2H+NH4"	16.019271
"33072"	919.175866	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M-2H+Na"	20.974666
"478951"	1368.276466	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M-2H+Na"	20.974666
"856752"	470.075266	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-2H+Na"	20.974666
"1630293"	470.075266	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Na-2H"	20.974666
"99534"	466.081663	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M-H+Cl"	33.962126
"540188"	690.631963	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M-H+Cl"	33.962126
"936983"	241.531363	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-H+Cl"	33.962126
"275541"	933.170602	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+Cl"	34.969402
"671247"	1382.271202	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+Cl"	34.969402
"1283651"	484.070002	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Cl"	34.969402
"28031"	935.149806	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M-2H+K"	36.948606
"468686"	1384.250406	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M-2H+K"	36.948606
"843572"	486.049206	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-2H+K"	36.948606
"1565966"	486.049206	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+K-2H"	36.948606
"949476"	494.098794	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-H+HCOOH"	44.998194
"366596"	943.199401	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+HCOOH-H"	44.998201
"350477"	957.215051	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+Hac-H"	59.013851
"1497123"	508.114451	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Hac-H"	59.013851
"963572"	516.080751	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-H+NaCOOH"	66.980151
"115759"	484.070002	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+2Cl"	69.938804
"559696"	708.620302	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+2Cl"	69.938804
"1032870"	259.519702	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2Cl"	69.938804
"1251359"	528.019485	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Br"	78.918885
"1311618"	530.075472	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Cl+HCOOH"	80.974872
"1333125"	552.057429	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Cl+NaCOOH"	102.956829
"922360"	562.086186	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M-H+CF3COOH"	112.985586
"1293600"	598.062864	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Cl+CF3COOH"	148.962264
"1371762"	414.087924	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H-2H2O"	-35.012676
"1389257"	432.0979	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H-H2O"	-17.0027
"286755"	899.208476	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+H"	1.007276
"679182"	1348.309076	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+H"	1.007276
"1355166"	450.107876	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H"	1.007276
"130607"	450.107876	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+2H"	2.014552
"575641"	674.658176	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+2H"	2.014552
"1041159"	225.557576	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2H"	2.014552
"207965"	300.407676	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+3H"	3.021828
"651902"	450.107876	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+3H"	3.021828
"1165653"	150.707476	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+3H"	3.021828
"427102"	916.235023	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+NH4"	18.033823
"789921"	1365.335623	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+NH4"	18.033823
"1684067"	467.134423	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+NH4"	18.033823
"333803"	458.6211495	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+H+NH4"	19.041099
"725489"	683.1714495	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+H+NH4"	19.041099
"1480038"	234.0708495	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H+NH4"	19.041099
"397259"	921.190418	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+Na"	22.989218
"757161"	1370.291018	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+Na"	22.989218
"1604165"	472.089818	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Na"	22.989218
"315050"	461.098847	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+H+Na"	23.996494
"707592"	685.649147	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+H+Na"	23.996494
"1461650"	236.548547	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H+Na"	23.996494
"1054058"	158.03479	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2H+Na"	25.00377
"1257436"	482.134086	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+CH3OH+H"	33.033486
"378440"	937.164358	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+K"	38.963158
"739071"	1386.264958	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+K"	38.963158
"1540760"	488.063758	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+K"	38.963158
"301824"	469.085817	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+H+K"	39.970434
"693521"	693.636117	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+H+K"	39.970434
"1446976"	244.535517	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H+K"	39.970434
"237765"	940.235026	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+ACN+H"	42.033826
"1212295"	491.134426	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+ACN+H"	42.033826
"1204216"	246.070851	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+ACN+2H"	43.041102
"195990"	943.17236	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+2Na-H"	44.97116
"632268"	1392.27296	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+2Na-H"	44.97116
"1134312"	494.07176	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2Na-H"	44.97116
"174323"	472.089818	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+2Na"	45.978436
"615700"	696.640118	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+2Na"	45.978436
"1118839"	247.539518	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2Na"	45.978436
"1399451"	165.362104	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H+2Na"	46.985712
"1430598"	496.113346	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H+HCOOH"	47.012746
"220298"	477.12284	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+3H2O+2H"	56.04448
"1510069"	510.16539	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+IsoProp+H"	61.06479
"409026"	480.076788	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+Na+K"	61.952376
"774034"	704.627088	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+Na+K"	61.952376
"1673645"	255.526488	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Na+K"	61.952376
"255790"	962.216968	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+ACN+Na"	64.015768
"1231779"	513.116368	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+ACN+Na"	64.015768
"1719571"	513.139893	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+NH4+HCOOH"	64.039293
"1187115"	172.689418	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+3Na"	68.967654
"1657010"	518.095288	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Na+HCOOH"	68.994688
"166060"	975.12024	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+2K-H"	76.91904
"606714"	1424.22084	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+2K-H"	76.91904
"1092320"	526.01964	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2K-H"	76.91904
"153507"	488.063758	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"2M+2K"	77.926316
"594160"	712.614058	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"3M+2K"	77.926316
"1078671"	263.513458	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2K"	77.926316
"1108599"	528.034192	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2K+H"	78.933592
"1350094"	528.121807	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+DMSO+H"	79.021207
"1019965"	532.160976	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2ACN+H"	83.060376
"1530554"	533.154608	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+IsoProp+Na+H"	84.054008
"998094"	266.584126	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+2ACN+2H"	84.067652
"1590412"	534.069228	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+K+HCOOH"	84.968628
"1417164"	564.100738	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+H+CF3COOH"	115.000138
"1150737"	287.097401	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+3ACN+2H"	125.094202
"1699193"	581.127285	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+NH4+CF3COOH"	132.026685
"1640318"	586.08268	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+Na+CF3COOH"	136.98208
"1574875"	602.05662	"C10983"	"Cyhalothrin"	"C23H19ClF3NO3"	"449.1006"	"M+K+CF3COOH"	152.95602
"816542"	415.0742	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M"	0
"987521"	396.05581	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H2O-H"	-19.01839
"72484"	275.708857333333	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-3H"	-3.021828
"518398"	414.066924	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-3H"	-3.021828
"888757"	137.350790666667	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-3H"	-3.021828
"10614"	414.066924	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H"	-2.014552
"452363"	621.604024	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H"	-2.014552
"827978"	206.529824	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H"	-2.014552
"87968"	829.141124	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-H"	-1.007276
"527530"	1244.215324	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-H"	-1.007276
"905332"	414.066924	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H"	-1.007276
"52053"	846.167671	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H+NH4"	16.019271
"500964"	1261.241871	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H+NH4"	16.019271
"873784"	431.093471	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H+NH4"	16.019271
"36220"	851.123066	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H+Na"	20.974666
"481248"	1266.197266	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H+Na"	20.974666
"859049"	436.048866	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H+Na"	20.974666
"1625302"	436.048866	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na-2H"	20.974666
"97457"	432.055263	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-H+Cl"	33.962126
"540298"	639.592363	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-H+Cl"	33.962126
"937093"	224.518163	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+Cl"	33.962126
"280024"	865.117802	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Cl"	34.969402
"669170"	1280.192002	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+Cl"	34.969402
"1285948"	450.043602	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl"	34.969402
"28505"	867.097006	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H+K"	36.948606
"468066"	1282.171206	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H+K"	36.948606
"843682"	452.022806	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H+K"	36.948606
"1567169"	452.022806	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K-2H"	36.948606
"949586"	460.072394	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+HCOOH"	44.998194
"367799"	875.146601	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+HCOOH-H"	44.998201
"350223"	889.162251	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Hac-H"	59.013851
"1498690"	474.088051	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Hac-H"	59.013851
"964046"	482.054351	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+NaCOOH"	66.980151
"115141"	450.043602	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2Cl"	69.938804
"559806"	657.580702	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2Cl"	69.938804
"1031887"	242.506502	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2Cl"	69.938804
"1248188"	493.993085	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Br"	78.918885
"1311728"	496.049072	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl+HCOOH"	80.974872
"1330319"	518.031029	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl+NaCOOH"	102.956829
"921377"	528.059786	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+CF3COOH"	112.985586
"1293710"	564.036464	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl+CF3COOH"	148.962264
"1370779"	380.061524	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H-2H2O"	-35.012676
"1389368"	398.0715	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H-H2O"	-17.0027
"290146"	831.155676	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H"	1.007276
"680020"	1246.229876	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H"	1.007276
"1352844"	416.081476	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H"	1.007276
"131811"	416.081476	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2H"	2.014552
"573564"	623.618576	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2H"	2.014552
"1041269"	208.544376	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2H"	2.014552
"206981"	277.723409333333	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+3H"	3.021828
"649825"	416.081476	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+3H"	3.021828
"1166127"	139.365342666667	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+3H"	3.021828
"430127"	848.182223	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+NH4"	18.033823
"791124"	1263.256423	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+NH4"	18.033823
"1683448"	433.108023	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+NH4"	18.033823
"335736"	424.5947495	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H+NH4"	19.041099
"724870"	632.1318495	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H+NH4"	19.041099
"1478809"	217.0576495	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+NH4"	19.041099
"394693"	853.137618	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Na"	22.989218
"755448"	1268.211818	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+Na"	22.989218
"1603179"	438.063418	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na"	22.989218
"314466"	427.072447	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H+Na"	23.996494
"707292"	634.609547	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H+Na"	23.996494
"1461521"	219.535347	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+Na"	23.996494
"1054168"	146.692656666667	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2H+Na"	25.00377
"1257547"	448.107686	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+CH3OH+H"	33.033486
"377538"	869.111558	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+K"	38.963158
"738777"	1284.185758	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+K"	38.963158
"1541845"	454.037358	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K"	38.963158
"299748"	435.059417	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H+K"	39.970434
"691415"	642.596517	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H+K"	39.970434
"1446115"	227.522317	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+K"	39.970434
"237511"	872.182226	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+ACN+H"	42.033826
"1212042"	457.108026	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+ACN+H"	42.033826
"1203231"	229.057651	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+ACN+2H"	43.041102
"196100"	875.11956	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2Na-H"	44.97116
"633471"	1290.19376	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2Na-H"	44.97116
"1132964"	460.04536	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2Na-H"	44.97116
"175893"	438.063418	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2Na"	45.978436
"614358"	645.600518	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2Na"	45.978436
"1117127"	230.526318	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2Na"	45.978436
"1399077"	154.019970666667	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+2Na"	46.985712
"1433510"	462.086946	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+HCOOH"	47.012746
"220531"	443.09644	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+3H2O+2H"	56.04448
"1509202"	476.13899	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+IsoProp+H"	61.06479
"409621"	446.050388	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Na+K"	61.952376
"771953"	653.587488	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+Na+K"	61.952376
"1673755"	238.513288	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na+K"	61.952376
"255900"	894.164168	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+ACN+Na"	64.015768
"1230795"	479.089968	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+ACN+Na"	64.015768
"1718587"	479.113493	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+NH4+HCOOH"	64.039293
"1183945"	161.347284666667	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+3Na"	68.967654
"1660400"	484.068888	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na+HCOOH"	68.994688
"169449"	907.06744	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2K-H"	76.91904
"606824"	1322.14164	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2K-H"	76.91904
"1095709"	491.99324	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2K-H"	76.91904
"154710"	454.037358	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2K"	77.926316
"594270"	661.574458	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2K"	77.926316
"1078781"	246.500258	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2K"	77.926316
"1108710"	494.007792	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2K+H"	78.933592
"1349595"	494.095407	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+DMSO+H"	79.021207
"1020198"	498.134576	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2ACN+H"	83.060376
"1532850"	499.128208	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+IsoProp+Na+H"	84.054008
"1000391"	249.570926	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2ACN+2H"	84.067652
"1600363"	500.042828	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K+HCOOH"	84.968628
"1424927"	530.074338	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+CF3COOH"	115.000138
"1149752"	270.084201	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+3ACN+2H"	125.094202
"1698209"	547.100885	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+NH4+CF3COOH"	132.026685
"1640428"	552.05628	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na+CF3COOH"	136.98208
"1574985"	568.03022	"C10984"	"Cypermethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K+CF3COOH"	152.95602
"817074"	502.9732	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M"	0
"987632"	483.95481	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-H2O-H"	-19.01839
"72594"	334.308190666667	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M-3H"	-3.021828
"518423"	501.965924	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M-3H"	-3.021828
"893241"	166.650457333333	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-3H"	-3.021828
"12913"	501.965924	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M-2H"	-2.014552
"449195"	753.452524	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M-2H"	-2.014552
"826995"	250.479324	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-2H"	-2.014552
"88083"	1004.939124	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M-H"	-1.007276
"527642"	1507.912324	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M-H"	-1.007276
"905444"	501.965924	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-H"	-1.007276
"55443"	1021.965671	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M-2H+NH4"	16.019271
"501438"	1524.938871	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M-2H+NH4"	16.019271
"876081"	518.992471	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-2H+NH4"	16.019271
"35236"	1026.921066	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M-2H+Na"	20.974666
"481357"	1529.894266	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M-2H+Na"	20.974666
"859159"	523.947866	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-2H+Na"	20.974666
"1627598"	523.947866	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Na-2H"	20.974666
"99754"	519.954263	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M-H+Cl"	33.962126
"543688"	771.440863	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M-H+Cl"	33.962126
"937203"	268.467663	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-H+Cl"	33.962126
"279041"	1040.915802	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+Cl"	34.969402
"671833"	1543.889002	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+Cl"	34.969402
"1285697"	537.942602	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Cl"	34.969402
"27888"	1042.895006	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M-2H+K"	36.948606
"467083"	1545.868206	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M-2H+K"	36.948606
"844886"	539.921806	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-2H+K"	36.948606
"1567279"	539.921806	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+K-2H"	36.948606
"952979"	547.971394	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-H+HCOOH"	44.998194
"366816"	1050.944601	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+HCOOH-H"	44.998201
"351791"	1064.960251	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+Hac-H"	59.013851
"1499532"	561.987051	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Hac-H"	59.013851
"967073"	569.953351	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-H+NaCOOH"	66.980151
"118170"	537.942602	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+2Cl"	69.938804
"558825"	789.429202	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+2Cl"	69.938804
"1033822"	286.456002	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2Cl"	69.938804
"1252671"	581.892085	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Br"	78.918885
"1318036"	583.948072	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Cl+HCOOH"	80.974872
"1331522"	605.930029	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Cl+NaCOOH"	102.956829
"918207"	615.958786	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M-H+CF3COOH"	112.985586
"1292727"	651.935464	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Cl+CF3COOH"	148.962264
"1372347"	467.960524	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H-2H2O"	-35.012676
"1389478"	485.9705	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H-H2O"	-17.0027
"286976"	1006.953676	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+H"	1.007276
"679766"	1509.926876	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+H"	1.007276
"1354293"	503.980476	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H"	1.007276
"131924"	503.980476	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+2H"	2.014552
"572581"	755.467076	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+2H"	2.014552
"1040650"	252.493876	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2H"	2.014552
"208185"	336.322742666667	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+3H"	3.021828
"648842"	503.980476	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+3H"	3.021828
"1168060"	168.665009333333	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+3H"	3.021828
"431331"	1023.980223	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+NH4"	18.033823
"789046"	1526.953423	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+NH4"	18.033823
"1684286"	521.007023	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+NH4"	18.033823
"332567"	512.4937495	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+H+NH4"	19.041099
"722866"	763.9803495	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+H+NH4"	19.041099
"1477383"	261.0071495	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H+NH4"	19.041099
"392950"	1028.935618	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+Na"	22.989218
"754309"	1531.908818	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+Na"	22.989218
"1603010"	525.962418	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Na"	22.989218
"314537"	514.971447	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+H+Na"	23.996494
"707117"	766.458047	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+H+Na"	23.996494
"1461553"	263.484847	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H+Na"	23.996494
"1053549"	175.992323333333	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2H+Na"	25.00377
"1257780"	536.006686	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+CH3OH+H"	33.033486
"377141"	1044.909558	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+K"	38.963158
"739658"	1547.882758	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+K"	38.963158
"1541224"	541.936358	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+K"	38.963158
"300587"	522.958417	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+H+K"	39.970434
"693376"	774.445017	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+H+K"	39.970434
"1446833"	271.471817	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H+K"	39.970434
"236891"	1047.980226	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+ACN+H"	42.033826
"1210280"	545.007026	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+ACN+H"	42.033826
"1200060"	273.007151	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+ACN+2H"	43.041102
"195116"	1050.91756	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+2Na-H"	44.97116
"629931"	1553.89076	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+2Na-H"	44.97116
"1131693"	547.94436	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2Na-H"	44.97116
"172914"	525.962418	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+2Na"	45.978436
"614095"	777.449018	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+2Na"	45.978436
"1116871"	274.475818	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2Na"	45.978436
"1398933"	183.319637333333	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H+2Na"	46.985712
"1430080"	549.985946	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H+HCOOH"	47.012746
"220764"	530.99544	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+3H2O+2H"	56.04448
"1509437"	564.03799	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+IsoProp+H"	61.06479
"410703"	533.949388	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+Na+K"	61.952376
"774255"	785.435988	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+Na+K"	61.952376
"1670584"	282.462788	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Na+K"	61.952376
"261479"	1069.962168	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+ACN+Na"	64.015768
"1233094"	566.988968	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+ACN+Na"	64.015768
"1721981"	567.012493	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+NH4+HCOOH"	64.039293
"1188431"	190.646951333333	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+3Na"	68.967654
"1660510"	571.967888	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Na+HCOOH"	68.994688
"167372"	1082.86544	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+2K-H"	76.91904
"605841"	1585.83864	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+2K-H"	76.91904
"1094728"	579.89224	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2K-H"	76.91904
"150450"	541.936358	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"2M+2K"	77.926316
"592194"	793.422958	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"3M+2K"	77.926316
"1082661"	290.449758	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2K"	77.926316
"1114898"	581.906792	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2K+H"	78.933592
"1350678"	581.994407	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+DMSO+H"	79.021207
"1020790"	586.033576	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2ACN+H"	83.060376
"1534054"	587.027208	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+IsoProp+Na+H"	84.054008
"1001595"	293.520426	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+2ACN+2H"	84.067652
"1598286"	587.941828	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+K+HCOOH"	84.968628
"1426133"	617.973338	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+H+CF3COOH"	115.000138
"1149497"	314.033701	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+3ACN+2H"	125.094202
"1700505"	634.999885	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+NH4+CF3COOH"	132.026685
"1640538"	639.95528	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+Na+CF3COOH"	136.98208
"1575095"	655.92922	"C10985"	"Deltamethrin;Decamethrin"	"C22H19Br2NO3"	"502.9732"	"M+K+CF3COOH"	152.95602
"816032"	283.0167	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M"	0
"984462"	263.99831	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-H2O-H"	-19.01839
"74891"	187.670524	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M-3H"	-3.021828
"517491"	282.009424	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M-3H"	-3.021828
"895176"	93.331624	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-3H"	-3.021828
"10837"	282.009424	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M-2H"	-2.014552
"452582"	423.517774	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M-2H"	-2.014552
"828564"	140.501074	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-2H"	-2.014552
"88190"	565.026124	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M-H"	-1.007276
"522284"	848.042824	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M-H"	-1.007276
"902272"	282.009424	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-H"	-1.007276
"50086"	582.052671	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M-2H+NH4"	16.019271
"499484"	865.069371	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M-2H+NH4"	16.019271
"875098"	299.035971	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-2H+NH4"	16.019271
"35346"	587.008066	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M-2H+Na"	20.974666
"481467"	870.024766	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M-2H+Na"	20.974666
"857081"	303.991366	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-2H+Na"	20.974666
"1627707"	303.991366	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Na-2H"	20.974666
"99864"	299.997763	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M-H+Cl"	33.962126
"538331"	441.506113	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M-H+Cl"	33.962126
"936220"	158.489413	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-H+Cl"	33.962126
"279151"	601.002802	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+Cl"	34.969402
"671946"	884.019502	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+Cl"	34.969402
"1288336"	317.986102	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Cl"	34.969402
"26539"	602.982006	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M-2H+K"	36.948606
"470477"	885.998706	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M-2H+K"	36.948606
"844995"	319.965306	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-2H+K"	36.948606
"1566297"	319.965306	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+K-2H"	36.948606
"953089"	328.014894	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-H+HCOOH"	44.998194
"370209"	611.031601	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+HCOOH-H"	44.998201
"355185"	625.047251	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+Hac-H"	59.013851
"1505110"	342.030551	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Hac-H"	59.013851
"965002"	349.996851	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-H+NaCOOH"	66.980151
"118281"	317.986102	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+2Cl"	69.938804
"560029"	459.494452	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+2Cl"	69.938804
"1031016"	176.477752	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2Cl"	69.938804
"1252781"	361.935585	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Br"	78.918885
"1314138"	363.991572	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Cl+HCOOH"	80.974872
"1331634"	385.973529	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Cl+NaCOOH"	102.956829
"919412"	396.002286	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M-H+CF3COOH"	112.985586
"1297213"	431.978964	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Cl+CF3COOH"	148.962264
"1372095"	248.004024	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H-2H2O"	-35.012676
"1388495"	266.014	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H-H2O"	-17.0027
"285268"	567.040676	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+H"	1.007276
"684982"	850.057376	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+H"	1.007276
"1355862"	284.023976	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H"	1.007276
"140663"	284.023976	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+2H"	2.014552
"572691"	425.532326	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+2H"	2.014552
"1042583"	142.515626	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2H"	2.014552
"212672"	189.685076	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+3H"	3.021828
"647862"	284.023976	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+3H"	3.021828
"1167078"	95.346176	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+3H"	3.021828
"433631"	584.067223	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+NH4"	18.033823
"786246"	867.083923	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+NH4"	18.033823
"1681642"	301.050523	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+NH4"	18.033823
"332675"	292.5372495	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+H+NH4"	19.041099
"726188"	434.0455995	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+H+NH4"	19.041099
"1477039"	151.0288995	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H+NH4"	19.041099
"393214"	589.022618	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+Na"	22.989218
"754325"	872.039318	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+Na"	22.989218
"1602774"	306.005918	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Na"	22.989218
"314295"	295.014947	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+H+Na"	23.996494
"707197"	436.523297	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+H+Na"	23.996494
"1461429"	153.506597	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H+Na"	23.996494
"1053340"	102.67349	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2H+Na"	25.00377
"1257524"	316.050186	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+CH3OH+H"	33.033486
"377558"	604.996558	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+K"	38.963158
"739769"	888.013258	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+K"	38.963158
"1540235"	321.979858	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+K"	38.963158
"299482"	303.001917	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+H+K"	39.970434
"693119"	444.510267	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+H+K"	39.970434
"1447306"	161.493567	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H+K"	39.970434
"236877"	608.067226	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+ACN+H"	42.033826
"1210068"	325.050526	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+ACN+H"	42.033826
"1201263"	163.028901	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+ACN+2H"	43.041102
"198506"	611.00456	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+2Na-H"	44.97116
"630412"	894.02126	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+2Na-H"	44.97116
"1133186"	327.98786	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2Na-H"	44.97116
"173120"	306.005918	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+2Na"	45.978436
"613475"	447.514268	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+2Na"	45.978436
"1116049"	164.497568	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2Na"	45.978436
"1399285"	110.000804	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H+2Na"	46.985712
"1430679"	330.029446	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H+HCOOH"	47.012746
"220509"	311.03894	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+3H2O+2H"	56.04448
"1511130"	344.08149	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+IsoProp+H"	61.06479
"410085"	313.992888	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+Na+K"	61.952376
"779835"	455.501238	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+Na+K"	61.952376
"1677991"	172.484538	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Na+K"	61.952376
"260499"	630.049168	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+ACN+Na"	64.015768
"1236491"	347.032468	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+ACN+Na"	64.015768
"1726470"	347.055993	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+NH4+HCOOH"	64.039293
"1188543"	117.328118	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+3Na"	68.967654
"1661714"	352.011388	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Na+HCOOH"	68.994688
"172226"	642.95244	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+2K-H"	76.91904
"610326"	925.96914	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+2K-H"	76.91904
"1099830"	359.93574	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2K-H"	76.91904
"152749"	321.979858	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"2M+2K"	77.926316
"595468"	463.488208	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"3M+2K"	77.926316
"1083139"	180.471508	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2K"	77.926316
"1115586"	361.950292	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2K+H"	78.933592
"1348602"	362.037907	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+DMSO+H"	79.021207
"1020782"	366.077076	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2ACN+H"	83.060376
"1534164"	367.070708	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+IsoProp+Na+H"	84.054008
"999518"	183.542176	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+2ACN+2H"	84.067652
"1598396"	367.985328	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+K+HCOOH"	84.968628
"1426243"	398.016838	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+H+CF3COOH"	115.000138
"1149971"	204.055451	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+3ACN+2H"	125.094202
"1700615"	415.043385	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+NH4+CF3COOH"	132.026685
"1636273"	419.99878	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+Na+CF3COOH"	136.98208
"1575205"	435.97272	"C10986"	"Procymidone"	"C13H11Cl2NO2"	"283.0167"	"M+K+CF3COOH"	152.95602
"816466"	242.9854	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M"	0
"983478"	223.96701	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-H2O-H"	-19.01839
"69532"	160.982990666667	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M-3H"	-3.021828
"512375"	241.978124	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M-3H"	-3.021828
"893459"	79.9878573333333	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-3H"	-3.021828
"12769"	241.978124	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M-2H"	-2.014552
"452331"	363.470824	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M-2H"	-2.014552
"827215"	120.485424	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-2H"	-2.014552
"88300"	484.963524	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M-H"	-1.007276
"525674"	727.948924	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M-H"	-1.007276
"902382"	241.978124	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-H"	-1.007276
"57485"	501.990071	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M-2H+NH4"	16.019271
"494127"	744.975471	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M-2H+NH4"	16.019271
"868648"	259.004671	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-2H+NH4"	16.019271
"35457"	506.945466	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M-2H+Na"	20.974666
"478297"	749.930866	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M-2H+Na"	20.974666
"856098"	263.960066	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-2H+Na"	20.974666
"1624537"	263.960066	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Na-2H"	20.974666
"99974"	259.966463	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M-H+Cl"	33.962126
"540628"	381.459163	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M-H+Cl"	33.962126
"939610"	138.473763	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-H+Cl"	33.962126
"278898"	520.940202	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+Cl"	34.969402
"672786"	763.925602	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+Cl"	34.969402
"1285918"	277.954802	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Cl"	34.969402
"28840"	522.919406	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M-2H+K"	36.948606
"470832"	765.904806	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M-2H+K"	36.948606
"845475"	279.934006	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-2H+K"	36.948606
"1568597"	279.934006	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+K-2H"	36.948606
"955387"	287.983594	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-H+HCOOH"	44.998194
"370321"	530.969001	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+HCOOH-H"	44.998201
"356389"	544.984651	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+Hac-H"	59.013851
"1506321"	301.999251	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Hac-H"	59.013851
"970217"	309.965551	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-H+NaCOOH"	66.980151
"120215"	277.954802	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+2Cl"	69.938804
"561233"	399.447502	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+2Cl"	69.938804
"1030033"	156.462102	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2Cl"	69.938804
"1250703"	321.904285	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Br"	78.918885
"1318258"	323.960272	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Cl+HCOOH"	80.974872
"1332837"	345.942229	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Cl+NaCOOH"	102.956829
"917335"	355.970986	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M-H+CF3COOH"	112.985586
"1297322"	391.947664	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Cl+CF3COOH"	148.962264
"1371476"	207.972724	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H-2H2O"	-35.012676
"1387512"	225.9827	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H-H2O"	-17.0027
"286104"	486.978076	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+H"	1.007276
"678163"	729.963476	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+H"	1.007276
"1354149"	243.992676	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H"	1.007276
"134696"	243.992676	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+2H"	2.014552
"572801"	365.485376	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+2H"	2.014552
"1041600"	122.499976	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2H"	2.014552
"212782"	162.997542666667	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+3H"	3.021828
"653439"	243.992676	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+3H"	3.021828
"1171563"	82.0024093333333	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+3H"	3.021828
"429368"	504.004623	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+NH4"	18.033823
"788178"	746.990023	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+NH4"	18.033823
"1683416"	261.019223	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+NH4"	18.033823
"331692"	252.5059495	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+H+NH4"	19.041099
"725205"	373.9986495	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+H+NH4"	19.041099
"1479023"	131.0132495	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H+NH4"	19.041099
"393932"	508.960018	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+Na"	22.989218
"754925"	751.945418	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+Na"	22.989218
"1603183"	265.974618	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Na"	22.989218
"315005"	254.983647	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+H+Na"	23.996494
"707423"	376.476347	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+H+Na"	23.996494
"1461481"	133.490947	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H+Na"	23.996494
"1056327"	89.3297233333333	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2H+Na"	25.00377
"1258364"	276.018886	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+CH3OH+H"	33.033486
"378762"	524.933958	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+K"	38.963158
"740488"	767.919358	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+K"	38.963158
"1541443"	281.948558	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+K"	38.963158
"301171"	262.970617	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+H+K"	39.970434
"692864"	384.463317	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+H+K"	39.970434
"1446318"	141.477917	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H+K"	39.970434
"238933"	528.004626	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+ACN+H"	42.033826
"1211768"	285.019226	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+ACN+H"	42.033826
"1200280"	143.013251	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+ACN+2H"	43.041102
"195336"	530.94196	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+2Na-H"	44.97116
"631978"	773.92736	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+2Na-H"	44.97116
"1134387"	287.95656	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2Na-H"	44.97116
"173786"	265.974618	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+2Na"	45.978436
"613950"	387.467318	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+2Na"	45.978436
"1116242"	144.481918	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2Na"	45.978436
"1399396"	96.6570373333333	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H+2Na"	46.985712
"1430095"	289.998146	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H+HCOOH"	47.012746
"222806"	271.00764	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+3H2O+2H"	56.04448
"1509416"	304.05019	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+IsoProp+H"	61.06479
"409101"	273.961588	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+Na+K"	61.952376
"770298"	395.454288	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+Na+K"	61.952376
"1677366"	152.468888	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Na+K"	61.952376
"262794"	549.986568	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+ACN+Na"	64.015768
"1236597"	307.001168	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+ACN+Na"	64.015768
"1721110"	307.024693	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+NH4+HCOOH"	64.039293
"1188651"	103.984351333333	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+3Na"	68.967654
"1658544"	311.980088	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Na+HCOOH"	68.994688
"168685"	562.88984	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+2K-H"	76.91904
"608246"	805.87524	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+2K-H"	76.91904
"1097014"	319.90444	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2K-H"	76.91904
"152859"	281.948558	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"2M+2K"	77.926316
"595456"	403.441258	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"3M+2K"	77.926316
"1081182"	160.455858	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2K"	77.926316
"1111231"	321.918992	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2K+H"	78.933592
"1347617"	322.006607	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+DMSO+H"	79.021207
"1018211"	326.045776	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2ACN+H"	83.060376
"1533181"	327.039408	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+IsoProp+Na+H"	84.054008
"994162"	163.526526	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+2ACN+2H"	84.067652
"1589029"	327.954028	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+K+HCOOH"	84.968628
"1417606"	357.985538	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+H+CF3COOH"	115.000138
"1148014"	184.039801	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+3ACN+2H"	125.094202
"1699634"	375.012085	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+NH4+CF3COOH"	132.026685
"1636383"	379.96748	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+Na+CF3COOH"	136.98208
"1576408"	395.94142	"C10987"	"N-(35-Dichlorophenyl)succinimide;NDPS"	"C10H7Cl2NO2"	"242.9854"	"M+K+CF3COOH"	152.95602
"816577"	419.1288	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M"	0
"984682"	400.11041	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-H2O-H"	-19.01839
"75111"	278.411924	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M-3H"	-3.021828
"508112"	418.121524	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M-3H"	-3.021828
"895315"	138.702324	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-3H"	-3.021828
"14702"	418.121524	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M-2H"	-2.014552
"451710"	627.685924	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M-2H"	-2.014552
"828054"	208.557124	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-2H"	-2.014552
"90597"	837.250324	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M-H"	-1.007276
"530887"	1256.379124	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M-H"	-1.007276
"907593"	418.121524	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-H"	-1.007276
"59780"	854.276871	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M-2H+NH4"	16.019271
"489984"	1273.405671	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M-2H+NH4"	16.019271
"868758"	435.148071	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-2H+NH4"	16.019271
"35567"	859.232266	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M-2H+Na"	20.974666
"480594"	1278.361066	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M-2H+Na"	20.974666
"856208"	440.103466	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-2H+Na"	20.974666
"1622461"	440.103466	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Na-2H"	20.974666
"102271"	436.109863	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M-H+Cl"	33.962126
"540738"	645.674263	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M-H+Cl"	33.962126
"939724"	226.545463	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-H+Cl"	33.962126
"280836"	873.227002	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+Cl"	34.969402
"675168"	1292.355802	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+Cl"	34.969402
"1288311"	454.098202	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Cl"	34.969402
"31217"	875.206206	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M-2H+K"	36.948606
"471153"	1294.335006	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M-2H+K"	36.948606
"847288"	456.077406	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-2H+K"	36.948606
"1569437"	456.077406	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+K-2H"	36.948606
"955495"	464.126994	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-H+HCOOH"	44.998194
"374805"	883.255801	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+HCOOH-H"	44.998201
"359298"	897.271451	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+Hac-H"	59.013851
"1506311"	478.142651	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Hac-H"	59.013851
"972882"	486.108951	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-H+NaCOOH"	66.980151
"120325"	454.098202	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+2Cl"	69.938804
"562803"	663.662602	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+2Cl"	69.938804
"1035860"	244.533802	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2Cl"	69.938804
"1254097"	498.047685	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Br"	78.918885
"1318369"	500.103672	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Cl+HCOOH"	80.974872
"1329667"	522.085629	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Cl+NaCOOH"	102.956829
"919632"	532.114386	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M-H+CF3COOH"	112.985586
"1296339"	568.091064	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Cl+CF3COOH"	148.962264
"1382161"	384.116124	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H-2H2O"	-35.012676
"1388718"	402.1261	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H-H2O"	-17.0027
"287310"	839.264876	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+H"	1.007276
"676815"	1258.393676	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+H"	1.007276
"1360092"	420.136076	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H"	1.007276
"134806"	420.136076	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+2H"	2.014552
"574004"	629.700476	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+2H"	2.014552
"1042803"	210.571676	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2H"	2.014552
"212892"	280.426476	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+3H"	3.021828
"654642"	420.136076	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+3H"	3.021828
"1174954"	140.716876	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+3H"	3.021828
"434945"	856.291423	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+NH4"	18.033823
"793755"	1275.420223	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+NH4"	18.033823
"1686806"	437.162623	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+NH4"	18.033823
"332898"	428.6493495	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+H+NH4"	19.041099
"723857"	638.2137495	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+H+NH4"	19.041099
"1478164"	219.0849495	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H+NH4"	19.041099
"393439"	861.246818	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+Na"	22.989218
"755285"	1280.375618	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+Na"	22.989218
"1603377"	442.118018	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Na"	22.989218
"314996"	431.127047	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+H+Na"	23.996494
"707778"	640.691447	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+H+Na"	23.996494
"1462083"	221.562647	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H+Na"	23.996494
"1052910"	148.04419	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2H+Na"	25.00377
"1257422"	452.162286	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+CH3OH+H"	33.033486
"378144"	877.220758	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+K"	38.963158
"739863"	1296.349558	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+K"	38.963158
"1541308"	458.091958	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+K"	38.963158
"300552"	439.114017	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+H+K"	39.970434
"692363"	648.678417	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+H+K"	39.970434
"1447528"	229.549617	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H+K"	39.970434
"237225"	880.291426	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+ACN+H"	42.033826
"1212120"	461.162626	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+ACN+H"	42.033826
"1201483"	231.084951	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+ACN+2H"	43.041102
"196540"	883.22876	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+2Na-H"	44.97116
"629903"	1302.35756	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+2Na-H"	44.97116
"1133045"	464.09996	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2Na-H"	44.97116
"174507"	442.118018	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+2Na"	45.978436
"614428"	651.682418	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+2Na"	45.978436
"1116354"	232.553618	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2Na"	45.978436
"1398871"	155.371504	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H+2Na"	46.985712
"1431516"	466.141546	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H+HCOOH"	47.012746
"221823"	447.15104	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+3H2O+2H"	56.04448
"1510620"	480.19359	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+IsoProp+H"	61.06479
"409940"	450.104988	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+Na+K"	61.952376
"772391"	659.669388	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+Na+K"	61.952376
"1666173"	240.540588	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Na+K"	61.952376
"252691"	902.273368	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+ACN+Na"	64.015768
"1229778"	483.144568	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+ACN+Na"	64.015768
"1720124"	483.168093	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+NH4+HCOOH"	64.039293
"1188761"	162.698818	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+3Na"	68.967654
"1659748"	488.123488	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Na+HCOOH"	68.994688
"168795"	915.17664	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+2K-H"	76.91904
"609448"	1334.30544	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+2K-H"	76.91904
"1097124"	496.04784	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2K-H"	76.91904
"149689"	458.091958	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"2M+2K"	77.926316
"593622"	667.656358	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"3M+2K"	77.926316
"1080319"	248.527558	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2K"	77.926316
"1109153"	498.062392	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2K+H"	78.933592
"1347726"	498.150007	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+DMSO+H"	79.021207
"1017348"	502.189176	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2ACN+H"	83.060376
"1535477"	503.182808	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+IsoProp+Na+H"	84.054008
"993178"	251.598226	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+2ACN+2H"	84.067652
"1588775"	504.097428	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+K+HCOOH"	84.968628
"1418810"	534.128938	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+H+CF3COOH"	115.000138
"1147759"	272.111501	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+3ACN+2H"	125.094202
"1700108"	551.155485	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+NH4+CF3COOH"	132.026685
"1635399"	556.11088	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+Na+CF3COOH"	136.98208
"1575425"	572.08482	"C10988"	"Fenvalerate;Pydrin"	"C25H22ClNO3"	"419.1288"	"M+K+CF3COOH"	152.95602
"814539"	502.1271	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M"	0
"983698"	483.10871	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H2O-H"	-19.01839
"70846"	333.744124	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-3H"	-3.021828
"509315"	501.119824	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-3H"	-3.021828
"890398"	166.368424	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-3H"	-3.021828
"15653"	501.119824	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H"	-2.014552
"452549"	752.183374	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H"	-2.014552
"828529"	250.056274	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H"	-2.014552
"90705"	1003.246924	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-H"	-1.007276
"530995"	1505.374024	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-H"	-1.007276
"904788"	501.119824	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H"	-1.007276
"56975"	1020.273471	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H+NH4"	16.019271
"491066"	1522.400571	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H+NH4"	16.019271
"864529"	518.146371	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H+NH4"	16.019271
"32030"	1025.228866	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H+Na"	20.974666
"473413"	1527.355966	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H+Na"	20.974666
"849877"	523.101766	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H+Na"	20.974666
"1619532"	523.101766	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na-2H"	20.974666
"99101"	519.108163	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-H+Cl"	33.962126
"544130"	770.171713	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-H+Cl"	33.962126
"940566"	268.044613	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+Cl"	33.962126
"281310"	1039.223602	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Cl"	34.969402
"675320"	1541.350702	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+Cl"	34.969402
"1287615"	537.096502	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl"	34.969402
"30292"	1041.202806	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H+K"	36.948606
"470577"	1543.329906	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H+K"	36.948606
"847759"	539.075706	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H+K"	36.948606
"1570885"	539.075706	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K-2H"	36.948606
"955241"	547.125294	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+HCOOH"	44.998194
"374188"	1049.252401	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+HCOOH-H"	44.998201
"358069"	1063.268051	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Hac-H"	59.013851
"1507271"	561.140951	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Hac-H"	59.013851
"972869"	569.107251	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+NaCOOH"	66.980151
"120435"	537.096502	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2Cl"	69.938804
"563277"	788.160052	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2Cl"	69.938804
"1036333"	286.032952	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2Cl"	69.938804
"1254571"	581.045985	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Br"	78.918885
"1318843"	583.101972	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl+HCOOH"	80.974872
"1329777"	605.083929	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl+NaCOOH"	102.956829
"917555"	615.112686	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+CF3COOH"	112.985586
"1294262"	651.089364	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl+CF3COOH"	148.962264
"1381177"	467.114424	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H-2H2O"	-35.012676
"1389921"	485.1244	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H-H2O"	-17.0027
"286327"	1005.261476	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H"	1.007276
"676562"	1507.388576	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H"	1.007276
"1358380"	503.134376	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H"	1.007276
"134551"	503.134376	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2H"	2.014552
"574114"	754.197926	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2H"	2.014552
"1041820"	252.070826	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2H"	2.014552
"213002"	335.758676	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+3H"	3.021828
"653659"	503.134376	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+3H"	3.021828
"1172878"	168.382976	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+3H"	3.021828
"432868"	1022.288023	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+NH4"	18.033823
"793865"	1524.415123	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+NH4"	18.033823
"1686916"	520.160923	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+NH4"	18.033823
"333372"	511.6476495	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H+NH4"	19.041099
"724697"	762.7111995	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H+NH4"	19.041099
"1479246"	260.5840995	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+NH4"	19.041099
"393428"	1027.243418	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Na"	22.989218
"755031"	1529.370518	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+Na"	22.989218
"1602769"	525.116318	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na"	22.989218
"314419"	514.125347	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H+Na"	23.996494
"707647"	765.188897	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H+Na"	23.996494
"1461954"	263.061797	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+Na"	23.996494
"1053262"	175.71029	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2H+Na"	25.00377
"1257613"	535.160586	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+CH3OH+H"	33.033486
"377889"	1043.217358	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+K"	38.963158
"741067"	1545.344458	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+K"	38.963158
"1541662"	541.090258	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K"	38.963158
"299932"	522.112317	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H+K"	39.970434
"691864"	773.175867	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H+K"	39.970434
"1446543"	271.048767	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+K"	39.970434
"236361"	1046.288026	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+ACN+H"	42.033826
"1211503"	544.160926	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+ACN+H"	42.033826
"1198313"	272.584101	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+ACN+2H"	43.041102
"195557"	1049.22536	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2Na-H"	44.97116
"629771"	1551.35246	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2Na-H"	44.97116
"1132545"	547.09826	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2Na-H"	44.97116
"173521"	525.116318	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2Na"	45.978436
"613046"	776.179868	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2Na"	45.978436
"1116098"	274.052768	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2Na"	45.978436
"1399144"	183.037604	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+2Na"	46.985712
"1431626"	549.139846	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+HCOOH"	47.012746
"220839"	530.14934	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+3H2O+2H"	56.04448
"1509271"	563.19189	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+IsoProp+H"	61.06479
"410048"	533.103288	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Na+K"	61.952376
"770435"	784.166838	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+Na+K"	61.952376
"1667376"	282.039738	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na+K"	61.952376
"252437"	1068.269968	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+ACN+Na"	64.015768
"1230252"	566.142868	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+ACN+Na"	64.015768
"1715858"	566.166393	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+NH4+HCOOH"	64.039293
"1188870"	190.364918	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+3Na"	68.967654
"1658764"	571.121788	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na+HCOOH"	68.994688
"168905"	1081.17324	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2K-H"	76.91904
"608465"	1583.30034	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2K-H"	76.91904
"1097355"	579.04614	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2K-H"	76.91904
"150892"	541.090258	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2K"	77.926316
"593732"	792.153808	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2K"	77.926316
"1076056"	290.026708	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2K"	77.926316
"1107077"	581.060692	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2K+H"	78.933592
"1348930"	581.148307	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+DMSO+H"	79.021207
"1018551"	585.187476	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2ACN+H"	83.060376
"1536678"	586.181108	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+IsoProp+Na+H"	84.054008
"993288"	293.097376	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2ACN+2H"	84.067652
"1589978"	587.095728	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K+HCOOH"	84.968628
"1416733"	617.127238	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+CF3COOH"	115.000138
"1148114"	313.610651	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+3ACN+2H"	125.094202
"1699124"	634.153785	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+NH4+CF3COOH"	132.026685
"1636603"	639.10918	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na+CF3COOH"	136.98208
"1575535"	655.08312	"C10989"	"Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K+CF3COOH"	152.95602
"811369"	423.1249	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M"	0
"983808"	404.10651	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-H2O-H"	-19.01839
"65488"	281.075990666667	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M-3H"	-3.021828
"509425"	422.117624	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M-3H"	-3.021828
"887228"	140.034357333333	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-3H"	-3.021828
"15527"	422.117624	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M-2H"	-2.014552
"453022"	633.680074	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M-2H"	-2.014552
"830824"	210.555174	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-2H"	-2.014552
"88628"	845.242524	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M-H"	-1.007276
"529282"	1268.367424	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M-H"	-1.007276
"902710"	422.117624	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-H"	-1.007276
"50524"	862.269071	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M-2H+NH4"	16.019271
"487772"	1285.393971	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M-2H+NH4"	16.019271
"864288"	439.144171	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-2H+NH4"	16.019271
"31693"	867.224466	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M-2H+Na"	20.974666
"471394"	1290.349366	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M-2H+Na"	20.974666
"849866"	444.099566	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-2H+Na"	20.974666
"1619400"	444.099566	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Na-2H"	20.974666
"97024"	440.105963	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M-H+Cl"	33.962126
"545333"	651.668413	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M-H+Cl"	33.962126
"941401"	228.543513	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-H+Cl"	33.962126
"281662"	881.219202	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+Cl"	34.969402
"674694"	1304.344102	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+Cl"	34.969402
"1287990"	458.094302	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Cl"	34.969402
"31116"	883.198406	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M-2H+K"	36.948606
"469454"	1306.323306	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M-2H+K"	36.948606
"845437"	460.073506	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-2H+K"	36.948606
"1567833"	460.073506	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+K-2H"	36.948606
"951341"	468.123094	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-H+HCOOH"	44.998194
"372839"	891.248001	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+HCOOH-H"	44.998201
"356720"	905.263651	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+Hac-H"	59.013851
"1502278"	482.138751	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Hac-H"	59.013851
"967630"	490.105051	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-H+NaCOOH"	66.980151
"113619"	458.094302	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+2Cl"	69.938804
"557189"	669.656752	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+2Cl"	69.938804
"1025991"	246.531852	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2Cl"	69.938804
"1248848"	502.043785	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Br"	78.918885
"1311295"	504.099772	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Cl+HCOOH"	80.974872
"1323325"	526.081729	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Cl+NaCOOH"	102.956829
"914385"	536.110486	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M-H+CF3COOH"	112.985586
"1292186"	572.087164	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Cl+CF3COOH"	148.962264
"1377277"	388.112224	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H-2H2O"	-35.012676
"1388938"	406.1222	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H-H2O"	-17.0027
"287529"	847.257076	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+H"	1.007276
"677036"	1270.381976	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+H"	1.007276
"1355210"	424.132176	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H"	1.007276
"131746"	424.132176	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+2H"	2.014552
"569851"	635.694626	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+2H"	2.014552
"1039014"	212.569726	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2H"	2.014552
"204280"	283.090542666667	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+3H"	3.021828
"653769"	424.132176	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+3H"	3.021828
"1172988"	142.048909333333	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+3H"	3.021828
"431885"	864.283623	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+NH4"	18.033823
"796163"	1287.408523	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+NH4"	18.033823
"1691400"	441.158723	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+NH4"	18.033823
"333482"	432.6454495	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+H+NH4"	19.041099
"723715"	644.2078995	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+H+NH4"	19.041099
"1478263"	221.0829995	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H+NH4"	19.041099
"392902"	869.239018	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+Na"	22.989218
"755141"	1292.363918	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+Na"	22.989218
"1602991"	446.114118	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Na"	22.989218
"315095"	435.123147	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+H+Na"	23.996494
"707433"	646.685597	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+H+Na"	23.996494
"1461945"	223.560697	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H+Na"	23.996494
"1052813"	149.376223333333	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2H+Na"	25.00377
"1257313"	456.158386	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+CH3OH+H"	33.033486
"377305"	885.212958	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+K"	38.963158
"738990"	1308.337858	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+K"	38.963158
"1540678"	462.088058	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+K"	38.963158
"298663"	443.110117	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+H+K"	39.970434
"691727"	654.672567	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+H+K"	39.970434
"1445640"	231.547667	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H+K"	39.970434
"236107"	888.283626	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+ACN+H"	42.033826
"1212341"	465.158726	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+ACN+H"	42.033826
"1197694"	233.083001	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+ACN+2H"	43.041102
"195667"	891.22096	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+2Na-H"	44.97116
"630123"	1314.34586	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+2Na-H"	44.97116
"1131927"	468.09606	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2Na-H"	44.97116
"173223"	446.114118	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+2Na"	45.978436
"613556"	657.676568	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+2Na"	45.978436
"1115919"	234.551668	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2Na"	45.978436
"1399254"	156.703537333333	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H+2Na"	46.985712
"1430071"	470.137646	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H+HCOOH"	47.012746
"220827"	451.14714	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+3H2O+2H"	56.04448
"1511932"	484.18969	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+IsoProp+H"	61.06479
"408821"	454.101088	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+Na+K"	61.952376
"770099"	665.663538	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+Na+K"	61.952376
"1667850"	242.538638	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Na+K"	61.952376
"251544"	910.265568	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+ACN+Na"	64.015768
"1230362"	487.140668	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+ACN+Na"	64.015768
"1715968"	487.164193	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+NH4+HCOOH"	64.039293
"1183513"	164.030851333333	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+3Na"	68.967654
"1655593"	492.119588	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Na+HCOOH"	68.994688
"166829"	923.16884	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+2K-H"	76.91904
"606388"	1346.29374	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+2K-H"	76.91904
"1095275"	500.04394	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2K-H"	76.91904
"148815"	462.088058	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"2M+2K"	77.926316
"590562"	673.650508	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"3M+2K"	77.926316
"1075072"	250.525608	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2K"	77.926316
"1107187"	502.058492	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2K+H"	78.933592
"1347946"	502.146107	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+DMSO+H"	79.021207
"1018661"	506.185276	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2ACN+H"	83.060376
"1534601"	507.178908	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+IsoProp+Na+H"	84.054008
"993398"	253.596276	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+2ACN+2H"	84.067652
"1590088"	508.093528	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+K+HCOOH"	84.968628
"1415749"	538.125038	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+H+CF3COOH"	115.000138
"1147858"	274.109551	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+3ACN+2H"	125.094202
"1699235"	555.151585	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+NH4+CF3COOH"	132.026685
"1636713"	560.10698	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+Na+CF3COOH"	136.98208
"1575645"	576.08092	"C10990"	"Flumiclorac pentyl;S-23031"	"C21H23ClFNO5"	"423.1249"	"M+K+CF3COOH"	152.95602
"812572"	338.1882	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M"	0
"983918"	319.16981	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-H2O-H"	-19.01839
"65598"	224.451524	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M-3H"	-3.021828
"507348"	337.180924	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M-3H"	-3.021828
"887338"	111.722124	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-3H"	-3.021828
"11382"	337.180924	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M-2H"	-2.014552
"453131"	506.275024	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M-2H"	-2.014552
"825467"	168.086824	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-2H"	-2.014552
"85458"	675.369124	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M-H"	-1.007276
"526112"	1013.557324	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M-H"	-1.007276
"899540"	337.180924	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-H"	-1.007276
"49540"	692.395671	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M-2H+NH4"	16.019271
"487269"	1030.583871	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M-2H+NH4"	16.019271
"864255"	354.207471	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-2H+NH4"	16.019271
"31488"	697.351066	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M-2H+Na"	20.974666
"472540"	1035.539266	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M-2H+Na"	20.974666
"851070"	359.162866	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-2H+Na"	20.974666
"1618512"	359.162866	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Na-2H"	20.974666
"94539"	355.169263	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M-H+Cl"	33.962126
"544350"	524.263363	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M-H+Cl"	33.962126
"940055"	186.075163	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-H+Cl"	33.962126
"282503"	711.345802	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+Cl"	34.969402
"675167"	1049.534002	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+Cl"	34.969402
"1287812"	373.157602	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Cl"	34.969402
"31348"	713.325006	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M-2H+K"	36.948606
"469565"	1051.513206	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M-2H+K"	36.948606
"845547"	375.136806	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-2H+K"	36.948606
"1566850"	375.136806	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+K-2H"	36.948606
"950358"	383.186394	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-H+HCOOH"	44.998194
"370761"	721.374601	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+HCOOH-H"	44.998201
"355737"	735.390251	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+Hac-H"	59.013851
"1503845"	397.202051	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Hac-H"	59.013851
"969199"	405.168351	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-H+NaCOOH"	66.980151
"115551"	373.157602	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+2Cl"	69.938804
"558393"	542.251702	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+2Cl"	69.938804
"1028287"	204.063502	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2Cl"	69.938804
"1250052"	417.107085	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Br"	78.918885
"1311405"	419.163072	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Cl+HCOOH"	80.974872
"1322341"	441.145029	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Cl+NaCOOH"	102.956829
"914495"	451.173786	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M-H+CF3COOH"	112.985586
"1292295"	487.150464	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Cl+CF3COOH"	148.962264
"1373742"	303.175524	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H-2H2O"	-35.012676
"1387954"	321.1855	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H-H2O"	-17.0027
"287639"	677.383676	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+H"	1.007276
"678968"	1015.571876	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+H"	1.007276
"1354226"	339.195476	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H"	1.007276
"129304"	339.195476	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+2H"	2.014552
"569961"	508.289576	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+2H"	2.014552
"1038760"	170.101376	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2H"	2.014552
"204672"	226.466076	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+3H"	3.021828
"653879"	339.195476	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+3H"	3.021828
"1172005"	113.736676	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+3H"	3.021828
"431995"	694.410223	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+NH4"	18.033823
"797366"	1032.598423	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+NH4"	18.033823
"1690417"	356.222023	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+NH4"	18.033823
"336508"	347.7087495	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+H+NH4"	19.041099
"725647"	516.8028495	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+H+NH4"	19.041099
"1479466"	178.6146495	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H+NH4"	19.041099
"393160"	699.365618	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+Na"	22.989218
"754887"	1037.553818	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+Na"	22.989218
"1605051"	361.177418	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Na"	22.989218
"316179"	350.186447	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+H+Na"	23.996494
"710057"	519.280547	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+H+Na"	23.996494
"1465700"	181.092347	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H+Na"	23.996494
"1053475"	121.06399	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2H+Na"	25.00377
"1258437"	371.221686	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+CH3OH+H"	33.033486
"378103"	715.339558	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+K"	38.963158
"742015"	1053.527758	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+K"	38.963158
"1541152"	377.151358	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+K"	38.963158
"298933"	358.173417	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+H+K"	39.970434
"692327"	527.267517	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+H+K"	39.970434
"1445740"	189.079317	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H+K"	39.970434
"235733"	718.410226	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+ACN+H"	42.033826
"1211355"	380.222026	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+ACN+H"	42.033826
"1194505"	190.614651	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+ACN+2H"	43.041102
"193591"	721.34756	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+2Na-H"	44.97116
"630233"	1059.53576	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+2Na-H"	44.97116
"1131665"	383.15936	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2Na-H"	44.97116
"173045"	361.177418	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+2Na"	45.978436
"612906"	530.271518	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+2Na"	45.978436
"1115732"	192.083318	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2Na"	45.978436
"1398477"	128.391304	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H+2Na"	46.985712
"1429941"	385.200946	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H+HCOOH"	47.012746
"223248"	366.21044	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+3H2O+2H"	56.04448
"1509490"	399.25299	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+IsoProp+H"	61.06479
"408888"	369.164388	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+Na+K"	61.952376
"770210"	538.258488	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+Na+K"	61.952376
"1667596"	200.070288	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Na+K"	61.952376
"252657"	740.392168	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+ACN+Na"	64.015768
"1225729"	402.203968	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+ACN+Na"	64.015768
"1713113"	402.227493	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+NH4+HCOOH"	64.039293
"1184715"	135.718618	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+3Na"	68.967654
"1650636"	407.182888	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Na+HCOOH"	68.994688
"165845"	753.29544	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+2K-H"	76.91904
"602124"	1091.48364	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+2K-H"	76.91904
"1092105"	415.10724	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2K-H"	76.91904
"147832"	377.151358	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"2M+2K"	77.926316
"587390"	546.245458	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"3M+2K"	77.926316
"1074089"	208.057258	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2K"	77.926316
"1107297"	417.121792	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2K+H"	78.933592
"1348056"	417.209407	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+DMSO+H"	79.021207
"1015491"	421.248576	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2ACN+H"	83.060376
"1536898"	422.242208	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+IsoProp+Na+H"	84.054008
"994600"	211.127926	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+2ACN+2H"	84.067652
"1589104"	423.156828	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+K+HCOOH"	84.968628
"1414766"	453.188338	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+H+CF3COOH"	115.000138
"1147116"	231.641201	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+3ACN+2H"	125.094202
"1699345"	470.214885	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+NH4+CF3COOH"	132.026685
"1635730"	475.17028	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+Na+CF3COOH"	136.98208
"1575755"	491.14422	"C10991"	"Resmethrin"	"C22H26O3"	"338.1882"	"M+K+CF3COOH"	152.95602
"812682"	418.0571	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M"	0
"982936"	399.03871	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-H2O-H"	-19.01839
"71176"	277.697457333333	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M-3H"	-3.021828
"509645"	417.049824	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M-3H"	-3.021828
"887448"	138.345090666667	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-3H"	-3.021828
"11492"	417.049824	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M-2H"	-2.014552
"451783"	626.078374	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M-2H"	-2.014552
"825577"	208.021274	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-2H"	-2.014552
"85568"	835.106924	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M-H"	-1.007276
"523306"	1253.164024	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M-H"	-1.007276
"900014"	417.049824	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-H"	-1.007276
"48312"	852.133471	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M-2H+NH4"	16.019271
"490303"	1270.190571	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M-2H+NH4"	16.019271
"864330"	434.076371	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-2H+NH4"	16.019271
"34913"	857.088866	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M-2H+Na"	20.974666
"477754"	1275.145966	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M-2H+Na"	20.974666
"854462"	439.031766	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-2H+Na"	20.974666
"1618481"	439.031766	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Na-2H"	20.974666
"94527"	435.038163	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M-H+Cl"	33.962126
"536805"	644.066713	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M-H+Cl"	33.962126
"939801"	226.009613	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-H+Cl"	33.962126
"281034"	871.083602	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+Cl"	34.969402
"675158"	1289.140702	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+Cl"	34.969402
"1286952"	453.026502	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Cl"	34.969402
"30605"	873.062806	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M-2H+K"	36.948606
"468947"	1291.119906	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M-2H+K"	36.948606
"845654"	455.005706	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-2H+K"	36.948606
"1568051"	455.005706	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+K-2H"	36.948606
"953748"	463.055294	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-H+HCOOH"	44.998194
"371963"	881.112401	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+HCOOH-H"	44.998201
"358403"	895.128051	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+Hac-H"	59.013851
"1503954"	477.070951	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Hac-H"	59.013851
"969309"	485.037251	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-H+NaCOOH"	66.980151
"115663"	453.026502	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+2Cl"	69.938804
"561419"	662.055052	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+2Cl"	69.938804
"1032771"	243.997952	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2Cl"	69.938804
"1253442"	496.975985	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Br"	78.918885
"1313702"	499.031972	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Cl+HCOOH"	80.974872
"1324639"	521.013929	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Cl+NaCOOH"	102.956829
"915699"	531.042686	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M-H+CF3COOH"	112.985586
"1292405"	567.019364	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Cl+CF3COOH"	148.962264
"1371664"	383.044424	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H-2H2O"	-35.012676
"1386604"	401.0544	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H-H2O"	-17.0027
"286654"	837.121476	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+H"	1.007276
"679078"	1255.178576	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+H"	1.007276
"1354336"	419.064376	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H"	1.007276
"128319"	419.064376	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+2H"	2.014552
"567887"	628.092926	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+2H"	2.014552
"1041422"	210.035826	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2H"	2.014552
"206043"	279.712009333333	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+3H"	3.021828
"647427"	419.064376	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+3H"	3.021828
"1169926"	140.359642666667	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+3H"	3.021828
"428825"	854.148023	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+NH4"	18.033823
"796382"	1272.205123	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+NH4"	18.033823
"1692713"	436.090923	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+NH4"	18.033823
"333702"	427.5776495	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+H+NH4"	19.041099
"730131"	636.6061995	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+H+NH4"	19.041099
"1486136"	218.5490995	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H+NH4"	19.041099
"398255"	859.103418	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+Na"	22.989218
"761436"	1277.160518	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+Na"	22.989218
"1611722"	441.046318	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Na"	22.989218
"318478"	430.055347	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+H+Na"	23.996494
"710172"	639.083897	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+H+Na"	23.996494
"1465086"	221.026797	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H+Na"	23.996494
"1053712"	147.686956666667	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2H+Na"	25.00377
"1258549"	451.090586	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+CH3OH+H"	33.033486
"378581"	875.077358	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+K"	38.963158
"739943"	1293.134458	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+K"	38.963158
"1541995"	457.020258	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+K"	38.963158
"300024"	438.042317	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+H+K"	39.970434
"693048"	647.070867	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+H+K"	39.970434
"1446178"	229.013767	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H+K"	39.970434
"235875"	878.148026	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+ACN+H"	42.033826
"1211831"	460.090926	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+ACN+H"	42.033826
"1196443"	230.549101	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+ACN+2H"	43.041102
"189690"	881.08536	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+2Na-H"	44.97116
"628638"	1299.14246	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+2Na-H"	44.97116
"1133485"	463.02826	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2Na-H"	44.97116
"173082"	441.046318	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+2Na"	45.978436
"613005"	650.074868	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+2Na"	45.978436
"1115687"	232.017768	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2Na"	45.978436
"1398519"	155.014270666667	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H+2Na"	46.985712
"1429885"	465.069846	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H+HCOOH"	47.012746
"223358"	446.07934	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+3H2O+2H"	56.04448
"1509356"	479.12189	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+IsoProp+H"	61.06479
"409770"	449.033288	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+Na+K"	61.952376
"770194"	658.061838	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+Na+K"	61.952376
"1665838"	240.004738	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Na+K"	61.952376
"253497"	900.129968	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+ACN+Na"	64.015768
"1225696"	482.072868	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+ACN+Na"	64.015768
"1713019"	482.096393	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+NH4+HCOOH"	64.039293
"1184825"	162.341584666667	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+3Na"	68.967654
"1651435"	487.051788	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Na+HCOOH"	68.994688
"162675"	913.03324	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+2K-H"	76.91904
"601141"	1331.09034	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+2K-H"	76.91904
"1093309"	494.97614	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2K-H"	76.91904
"151222"	457.020258	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"2M+2K"	77.926316
"587501"	666.048808	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"3M+2K"	77.926316
"1074199"	247.991708	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2K"	77.926316
"1107407"	496.990692	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2K+H"	78.933592
"1342699"	497.078307	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+DMSO+H"	79.021207
"1016694"	501.117476	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2ACN+H"	83.060376
"1533728"	502.111108	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+IsoProp+Na+H"	84.054008
"992523"	251.062376	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+2ACN+2H"	84.067652
"1587264"	503.025728	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+K+HCOOH"	84.968628
"1414231"	533.057238	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+H+CF3COOH"	115.000138
"1147074"	271.575651	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+3ACN+2H"	125.094202
"1698360"	550.083785	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+NH4+CF3COOH"	132.026685
"1639120"	555.03918	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+Na+CF3COOH"	136.98208
"1575865"	571.01312	"C10992"	"Tefluthrin"	"C17H14ClF7O2"	"418.0571"	"M+K+CF3COOH"	152.95602
"809514"	347.0724	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M"	0
"985232"	328.05401	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-H2O-H"	-19.01839
"73472"	230.374324	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M-3H"	-3.021828
"510848"	346.065124	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M-3H"	-3.021828
"886465"	114.683524	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-3H"	-3.021828
"5042"	346.065124	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M-2H"	-2.014552
"439998"	519.601324	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M-2H"	-2.014552
"823498"	172.528924	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-2H"	-2.014552
"78616"	693.137524	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M-H"	-1.007276
"520133"	1040.209924	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M-H"	-1.007276
"896472"	346.065124	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-H"	-1.007276
"48541"	710.164071	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M-2H+NH4"	16.019271
"487607"	1057.236471	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M-2H+NH4"	16.019271
"864804"	363.091671	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-2H+NH4"	16.019271
"32833"	715.119466	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M-2H+Na"	20.974666
"474583"	1062.191866	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M-2H+Na"	20.974666
"849588"	368.047066	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-2H+Na"	20.974666
"1619239"	368.047066	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Na-2H"	20.974666
"95001"	364.053463	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M-H+Cl"	33.962126
"538008"	537.589663	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M-H+Cl"	33.962126
"934804"	190.517263	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-H+Cl"	33.962126
"281385"	729.114202	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+Cl"	34.969402
"670889"	1076.186602	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+Cl"	34.969402
"1284751"	382.041802	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Cl"	34.969402
"29495"	731.093406	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M-2H+K"	36.948606
"469056"	1078.165806	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M-2H+K"	36.948606
"843578"	384.021006	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-2H+K"	36.948606
"1568161"	384.021006	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+K-2H"	36.948606
"954586"	392.070594	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-H+HCOOH"	44.998194
"370978"	739.143001	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+HCOOH-H"	44.998201
"357415"	753.158651	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+Hac-H"	59.013851
"1504059"	406.086251	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Hac-H"	59.013851
"966866"	414.052551	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-H+NaCOOH"	66.980151
"115770"	382.041802	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+2Cl"	69.938804
"558611"	555.578002	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+2Cl"	69.938804
"1028506"	208.505602	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2Cl"	69.938804
"1248085"	425.991285	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Br"	78.918885
"1312720"	428.047272	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Cl+HCOOH"	80.974872
"1327299"	450.029229	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Cl+NaCOOH"	102.956829
"917263"	460.057986	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M-H+CF3COOH"	112.985586
"1295065"	496.034664	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Cl+CF3COOH"	148.962264
"1373959"	312.059724	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H-2H2O"	-35.012676
"1388536"	330.0697	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H-H2O"	-17.0027
"286764"	695.152076	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+H"	1.007276
"679552"	1042.224476	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+H"	1.007276
"1356993"	348.079676	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H"	1.007276
"128793"	348.079676	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+2H"	2.014552
"570183"	521.615876	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+2H"	2.014552
"1043354"	174.543476	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2H"	2.014552
"207246"	232.388876	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+3H"	3.021828
"645713"	348.079676	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+3H"	3.021828
"1168943"	116.698076	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+3H"	3.021828
"425775"	712.178623	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+NH4"	18.033823
"796492"	1059.251023	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+NH4"	18.033823
"1693916"	365.106223	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+NH4"	18.033823
"336729"	356.5929495	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+H+NH4"	19.041099
"728055"	530.1291495	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+H+NH4"	19.041099
"1481874"	183.0567495	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H+NH4"	19.041099
"398365"	717.134018	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+Na"	22.989218
"760453"	1064.206418	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+Na"	22.989218
"1615112"	370.061618	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Na"	22.989218
"324055"	359.070647	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+H+Na"	23.996494
"712104"	532.606847	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+H+Na"	23.996494
"1465926"	185.534447	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H+Na"	23.996494
"1054796"	124.02539	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2H+Na"	25.00377
"1259146"	380.105886	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+CH3OH+H"	33.033486
"380878"	733.107958	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+K"	38.963158
"741148"	1080.180358	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+K"	38.963158
"1543199"	386.035558	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+K"	38.963158
"300012"	367.057617	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+H+K"	39.970434
"692309"	540.593817	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+H+K"	39.970434
"1446979"	193.521417	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H+K"	39.970434
"237042"	736.178626	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+ACN+H"	42.033826
"1213035"	389.106226	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+ACN+H"	42.033826
"1197646"	195.056751	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+ACN+2H"	43.041102
"188861"	739.11596	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+2Na-H"	44.97116
"628747"	1086.18836	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+2Na-H"	44.97116
"1133595"	392.04356	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2Na-H"	44.97116
"173094"	370.061618	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+2Na"	45.978436
"613155"	543.597818	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+2Na"	45.978436
"1116054"	196.525418	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2Na"	45.978436
"1399087"	131.352704	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H+2Na"	46.985712
"1430277"	394.085146	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H+HCOOH"	47.012746
"221280"	375.09464	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+3H2O+2H"	56.04448
"1509710"	408.13719	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+IsoProp+H"	61.06479
"409152"	378.048588	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+Na+K"	61.952376
"770227"	551.584788	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+Na+K"	61.952376
"1665631"	204.512388	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Na+K"	61.952376
"251823"	758.160568	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+ACN+Na"	64.015768
"1225700"	411.088168	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+ACN+Na"	64.015768
"1712887"	411.111693	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+NH4+HCOOH"	64.039293
"1179468"	138.680018	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+3Na"	68.967654
"1655921"	416.067088	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Na+HCOOH"	68.994688
"163878"	771.06384	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+2K-H"	76.91904
"602344"	1118.13624	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+2K-H"	76.91904
"1087950"	423.99144	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2K-H"	76.91904
"151332"	386.035558	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"2M+2K"	77.926316
"587610"	559.571758	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"3M+2K"	77.926316
"1073215"	212.499358	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2K"	77.926316
"1104237"	426.005992	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2K+H"	78.933592
"1340621"	426.093607	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+DMSO+H"	79.021207
"1012430"	430.132776	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2ACN+H"	83.060376
"1532745"	431.126408	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+IsoProp+Na+H"	84.054008
"990039"	215.570026	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+2ACN+2H"	84.067652
"1587110"	432.041028	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+K+HCOOH"	84.968628
"1414374"	462.072538	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+H+CF3COOH"	115.000138
"1147092"	236.083301	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+3ACN+2H"	125.094202
"1697375"	479.099085	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+NH4+CF3COOH"	132.026685
"1637043"	484.05448	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+Na+CF3COOH"	136.98208
"1575975"	500.02842	"C10993"	"Flumipropyn;S-23121"	"C18H15ClFNO3"	"347.0724"	"M+K+CF3COOH"	152.95602
"813996"	494.1905	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M"	0
"988622"	475.17211	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-H2O-H"	-19.01839
"73582"	328.453057333333	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M-3H"	-3.021828
"515331"	493.183224	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M-3H"	-3.021828
"887668"	163.722890666667	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-3H"	-3.021828
"5151"	493.183224	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M-2H"	-2.014552
"440573"	740.278474	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M-2H"	-2.014552
"823608"	246.087974	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-2H"	-2.014552
"78854"	987.373724	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M-H"	-1.007276
"519388"	1481.564224	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M-H"	-1.007276
"896584"	493.183224	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-H"	-1.007276
"48166"	1004.400271	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M-2H+NH4"	16.019271
"487601"	1498.590771	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M-2H+NH4"	16.019271
"865160"	510.209771	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-2H+NH4"	16.019271
"31726"	1009.355666	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M-2H+Na"	20.974666
"473842"	1503.546166	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M-2H+Na"	20.974666
"854681"	515.165166	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-2H+Na"	20.974666
"1622025"	515.165166	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Na-2H"	20.974666
"96370"	511.171563	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M-H+Cl"	33.962126
"539211"	758.266813	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M-H+Cl"	33.962126
"934914"	264.076313	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-H+Cl"	33.962126
"281494"	1023.350402	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+Cl"	34.969402
"669904"	1517.540902	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+Cl"	34.969402
"1284861"	529.159902	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Cl"	34.969402
"31233"	1025.329606	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M-2H+K"	36.948606
"470989"	1519.520106	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M-2H+K"	36.948606
"846604"	531.139106	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-2H+K"	36.948606
"1567907"	531.139106	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+K-2H"	36.948606
"955425"	539.188694	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-H+HCOOH"	44.998194
"370724"	1033.379201	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+HCOOH-H"	44.998201
"355702"	1047.394851	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+Hac-H"	59.013851
"1504534"	553.204351	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Hac-H"	59.013851
"971715"	561.170651	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-H+NaCOOH"	66.980151
"113693"	529.159902	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+2Cl"	69.938804
"559814"	776.255152	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+2Cl"	69.938804
"1030804"	282.064652	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2Cl"	69.938804
"1250381"	573.109385	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Br"	78.918885
"1311737"	575.165372	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Cl+HCOOH"	80.974872
"1328140"	597.147329	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Cl+NaCOOH"	102.956829
"916646"	607.176086	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M-H+CF3COOH"	112.985586
"1296997"	643.152764	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Cl+CF3COOH"	148.962264
"1370425"	459.177824	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H-2H2O"	-35.012676
"1386826"	477.1878	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H-H2O"	-17.0027
"290154"	989.388276	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+H"	1.007276
"682577"	1483.578776	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+H"	1.007276
"1355282"	495.197776	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H"	1.007276
"128174"	495.197776	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+2H"	2.014552
"569201"	742.293026	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+2H"	2.014552
"1046747"	248.102526	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2H"	2.014552
"211365"	330.467609333333	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+3H"	3.021828
"647646"	495.197776	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+3H"	3.021828
"1163584"	165.737442666667	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+3H"	3.021828
"431229"	1006.414823	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+NH4"	18.033823
"791133"	1500.605323	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+NH4"	18.033823
"1694024"	512.224323	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+NH4"	18.033823
"331735"	503.7110495	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+H+NH4"	19.041099
"727072"	750.8062995	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+H+NH4"	19.041099
"1485265"	256.6157995	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H+NH4"	19.041099
"398475"	1011.370218	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+Na"	22.989218
"766031"	1505.560718	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+Na"	22.989218
"1616315"	517.179718	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Na"	22.989218
"323071"	506.188747	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+H+Na"	23.996494
"715495"	753.283997	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+H+Na"	23.996494
"1469315"	259.093497	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H+Na"	23.996494
"1055271"	173.064756666667	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2H+Na"	25.00377
"1260593"	527.223986	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+CH3OH+H"	33.033486
"380627"	1027.344158	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+K"	38.963158
"740164"	1521.534658	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+K"	38.963158
"1544041"	533.153658	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+K"	38.963158
"305227"	514.175717	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+H+K"	39.970434
"693639"	761.270967	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+H+K"	39.970434
"1446001"	267.080467	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H+K"	39.970434
"237151"	1030.414826	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+ACN+H"	42.033826
"1212052"	536.224326	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+ACN+H"	42.033826
"1197028"	268.615801	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+ACN+2H"	43.041102
"190275"	1033.35216	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+2Na-H"	44.97116
"630562"	1527.54266	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+2Na-H"	44.97116
"1134798"	539.16166	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2Na-H"	44.97116
"174561"	517.179718	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+2Na"	45.978436
"613507"	764.274968	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+2Na"	45.978436
"1116290"	270.084468	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2Na"	45.978436
"1398760"	180.392070666667	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H+2Na"	46.985712
"1430224"	541.203246	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H+HCOOH"	47.012746
"229774"	522.21274	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+3H2O+2H"	56.04448
"1513099"	555.25529	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+IsoProp+H"	61.06479
"410356"	525.166688	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+Na+K"	61.952376
"771594"	772.261938	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+Na+K"	61.952376
"1666342"	278.071438	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Na+K"	61.952376
"253108"	1052.396768	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+ACN+Na"	64.015768
"1227513"	558.206268	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+ACN+Na"	64.015768
"1714942"	558.229793	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+NH4+HCOOH"	64.039293
"1178886"	187.719384666667	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+3Na"	68.967654
"1657125"	563.185188	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Na+HCOOH"	68.994688
"163988"	1065.30004	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+2K-H"	76.91904
"603547"	1559.49054	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+2K-H"	76.91904
"1089153"	571.10954	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2K-H"	76.91904
"143786"	533.153658	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"2M+2K"	77.926316
"585532"	780.248908	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"3M+2K"	77.926316
"1073322"	286.058408	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2K"	77.926316
"1104344"	573.124092	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2K+H"	78.933592
"1338544"	573.211707	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+DMSO+H"	79.021207
"1011446"	577.250876	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2ACN+H"	83.060376
"1532854"	578.244508	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+IsoProp+Na+H"	84.054008
"998211"	289.129076	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+2ACN+2H"	84.067652
"1588341"	579.159128	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+K+HCOOH"	84.968628
"1419470"	609.190638	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+H+CF3COOH"	115.000138
"1149758"	309.642351	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+3ACN+2H"	125.094202
"1697610"	626.217185	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+NH4+CF3COOH"	132.026685
"1636060"	631.17258	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+Na+CF3COOH"	136.98208
"1576085"	647.14652	"C10994"	"Hydramethylnon;Amdro"	"C25H24F6N4"	"494.1905"	"M+K+CF3COOH"	152.95602
"814107"	293.1892	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M"	0
"987639"	274.17081	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-H2O-H"	-19.01839
"76972"	194.452190666667	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M-3H"	-3.021828
"513256"	292.181924	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M-3H"	-3.021828
"887777"	96.7224573333333	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-3H"	-3.021828
"5261"	292.181924	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M-2H"	-2.014552
"440688"	438.776524	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M-2H"	-2.014552
"829186"	145.587324	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-2H"	-2.014552
"79206"	585.371124	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M-H"	-1.007276
"519744"	878.560324	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M-H"	-1.007276
"896124"	292.181924	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-H"	-1.007276
"48028"	602.397671	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M-2H+NH4"	16.019271
"488075"	895.586871	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M-2H+NH4"	16.019271
"864539"	309.208471	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-2H+NH4"	16.019271
"31836"	607.353066	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M-2H+Na"	20.974666
"474802"	900.542266	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M-2H+Na"	20.974666
"854791"	314.163866	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-2H+Na"	20.974666
"1623228"	314.163866	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Na-2H"	20.974666
"99762"	310.170263	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M-H+Cl"	33.962126
"538227"	456.764863	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M-H+Cl"	33.962126
"930648"	163.575663	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-H+Cl"	33.962126
"279416"	621.347802	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+Cl"	34.969402
"667829"	914.537002	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+Cl"	34.969402
"1287888"	328.158602	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Cl"	34.969402
"27528"	623.327006	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M-2H+K"	36.948606
"470371"	916.516206	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M-2H+K"	36.948606
"843799"	330.137806	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-2H+K"	36.948606
"1569474"	330.137806	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+K-2H"	36.948606
"952983"	338.187394	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-H+HCOOH"	44.998194
"369011"	631.376601	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+HCOOH-H"	44.998201
"360186"	645.392251	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+Hac-H"	59.013851
"1506830"	352.203051	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Hac-H"	59.013851
"972553"	360.169351	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-H+NaCOOH"	66.980151
"115989"	328.158602	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+2Cl"	69.938804
"559925"	474.753202	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+2Cl"	69.938804
"1027634"	181.564002	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2Cl"	69.938804
"1249397"	372.108085	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Br"	78.918885
"1311846"	374.164072	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Cl+HCOOH"	80.974872
"1328250"	396.146029	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Cl+NaCOOH"	102.956829
"917121"	406.174786	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M-H+CF3COOH"	112.985586
"1297111"	442.151464	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Cl+CF3COOH"	148.962264
"1370901"	258.176524	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H-2H2O"	-35.012676
"1388395"	276.1865	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H-H2O"	-17.0027
"287350"	587.385676	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+H"	1.007276
"683781"	880.574876	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+H"	1.007276
"1356850"	294.196476	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H"	1.007276
"128649"	294.196476	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+2H"	2.014552
"568217"	440.791076	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+2H"	2.014552
"1047949"	147.601876	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2H"	2.014552
"209288"	196.466742666667	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+3H"	3.021828
"648120"	294.196476	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+3H"	3.021828
"1163935"	98.7370093333333	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+3H"	3.021828
"432434"	604.412223	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+NH4"	18.033823
"794522"	897.601423	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+NH4"	18.033823
"1688666"	311.223023	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+NH4"	18.033823
"338039"	302.7097495	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+H+NH4"	19.041099
"725359"	449.3043495	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+H+NH4"	19.041099
"1479179"	156.1151495	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H+NH4"	19.041099
"401866"	609.367618	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+Na"	22.989218
"762860"	902.556818	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+Na"	22.989218
"1612052"	316.178418	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Na"	22.989218
"319901"	305.187447	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+H+Na"	23.996494
"712325"	451.782047	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+H+Na"	23.996494
"1466146"	158.592847	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H+Na"	23.996494
"1053679"	106.064323333333	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2H+Na"	25.00377
"1259246"	326.222686	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+CH3OH+H"	33.033486
"378550"	625.341558	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+K"	38.963158
"738896"	918.530758	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+K"	38.963158
"1543787"	332.152358	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+K"	38.963158
"305337"	313.174417	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+H+K"	39.970434
"692288"	459.769017	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+H+K"	39.970434
"1445647"	166.579817	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H+K"	39.970434
"235739"	628.412226	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+ACN+H"	42.033826
"1211798"	335.223026	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+ACN+H"	42.033826
"1196045"	168.115151	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+ACN+2H"	43.041102
"191844"	631.34956	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+2Na-H"	44.97116
"631403"	924.53876	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+2Na-H"	44.97116
"1134908"	338.16036	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2Na-H"	44.97116
"175038"	316.178418	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+2Na"	45.978436
"612973"	462.773018	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+2Na"	45.978436
"1116766"	169.583818	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2Na"	45.978436
"1399562"	113.391637333333	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H+2Na"	46.985712
"1430461"	340.201946	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H+HCOOH"	47.012746
"228791"	321.21144	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+3H2O+2H"	56.04448
"1512481"	354.25399	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+IsoProp+H"	61.06479
"411074"	324.165388	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+Na+K"	61.952376
"771217"	470.759988	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+Na+K"	61.952376
"1666008"	177.570788	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Na+K"	61.952376
"251882"	650.394168	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+ACN+Na"	64.015768
"1226653"	357.204968	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+ACN+Na"	64.015768
"1715419"	357.228493	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+NH4+HCOOH"	64.039293
"1179805"	120.718951333333	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+3Na"	68.967654
"1650671"	362.183888	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Na+HCOOH"	68.994688
"158504"	663.29744	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+2K-H"	76.91904
"601470"	956.48664	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+2K-H"	76.91904
"1088170"	370.10824	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2K-H"	76.91904
"144989"	332.152358	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"2M+2K"	77.926316
"587828"	478.746958	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"3M+2K"	77.926316
"1074524"	185.557758	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2K"	77.926316
"1104818"	372.122792	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2K+H"	78.933592
"1339746"	372.210407	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+DMSO+H"	79.021207
"1012648"	376.249576	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2ACN+H"	83.060376
"1531873"	377.243208	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+IsoProp+Na+H"	84.054008
"998321"	188.628426	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+2ACN+2H"	84.067652
"1588451"	378.157828	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+K+HCOOH"	84.968628
"1419580"	408.189338	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+H+CF3COOH"	115.000138
"1148775"	209.141701	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+3ACN+2H"	125.094202
"1697122"	425.215885	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+NH4+CF3COOH"	132.026685
"1636170"	430.17128	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+Na+CF3COOH"	136.98208
"1576195"	446.14522	"C10995"	"Amitraz;Mitac"	"C19H23N3"	"293.1892"	"M+K+CF3COOH"	152.95602
"806559"	160.0848	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M"	0
"989087"	141.06641	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-H2O-H"	-19.01839
"76962"	105.715924	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M-3H"	-3.021828
"518108"	159.077524	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M-3H"	-3.021828
"893354"	52.354324	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-3H"	-3.021828
"5370"	159.077524	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M-2H"	-2.014552
"440919"	239.119924	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M-2H"	-2.014552
"826016"	79.035124	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-2H"	-2.014552
"79809"	319.162324	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M-H"	-1.007276
"519370"	479.247124	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M-H"	-1.007276
"895833"	159.077524	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-H"	-1.007276
"47775"	336.188871	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M-2H+NH4"	16.019271
"487294"	496.273671	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M-2H+NH4"	16.019271
"864564"	176.104071	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-2H+NH4"	16.019271
"31949"	341.144266	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M-2H+Na"	20.974666
"477099"	501.229066	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M-2H+Na"	20.974666
"854901"	181.059466	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-2H+Na"	20.974666
"1624431"	181.059466	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Na-2H"	20.974666
"102059"	177.065863	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M-H+Cl"	33.962126
"542713"	257.108263	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M-H+Cl"	33.962126
"934041"	97.023463	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-H+Cl"	33.962126
"279526"	355.139002	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+Cl"	34.969402
"670855"	515.223802	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+Cl"	34.969402
"1287636"	195.054202	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Cl"	34.969402
"27273"	357.118206	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M-2H+K"	36.948606
"463917"	517.203006	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M-2H+K"	36.948606
"839533"	197.033406	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-2H+K"	36.948606
"1563022"	197.033406	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+K-2H"	36.948606
"949812"	205.082994	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-H+HCOOH"	44.998194
"371307"	365.167801	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+HCOOH-H"	44.998201
"353003"	379.183451	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+Hac-H"	59.013851
"1498556"	219.098651	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Hac-H"	59.013851
"962451"	227.064951	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-H+NaCOOH"	66.980151
"113913"	195.054202	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+2Cl"	69.938804
"555660"	275.096602	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+2Cl"	69.938804
"1027744"	115.011802	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2Cl"	69.938804
"1249505"	239.003685	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Br"	78.918885
"1308675"	241.059672	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Cl+HCOOH"	80.974872
"1326173"	263.041629	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Cl+NaCOOH"	102.956829
"917231"	273.070386	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M-H+CF3COOH"	112.985586
"1296128"	309.047064	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Cl+CF3COOH"	148.962264
"1371011"	125.072124	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H-2H2O"	-35.012676
"1385590"	143.0821	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H-H2O"	-17.0027
"287096"	321.176876	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+H"	1.007276
"679518"	481.261676	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+H"	1.007276
"1352952"	161.092076	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H"	1.007276
"128759"	161.092076	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+2H"	2.014552
"568690"	241.134476	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+2H"	2.014552
"1043685"	81.049676	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2H"	2.014552
"208305"	107.730476	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+3H"	3.021828
"650053"	161.092076	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+3H"	3.021828
"1164896"	54.368876	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+3H"	3.021828
"429264"	338.203423	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+NH4"	18.033823
"796819"	498.288223	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+NH4"	18.033823
"1692056"	178.118623	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+NH4"	18.033823
"340336"	169.6053495	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+H+NH4"	19.041099
"723645"	249.6477495	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+H+NH4"	19.041099
"1478195"	89.5629495	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H+NH4"	19.041099
"401976"	343.158818	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+Na"	22.989218
"762970"	503.243618	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+Na"	22.989218
"1612162"	183.074018	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Na"	22.989218
"320011"	172.083047	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+H+Na"	23.996494
"717902"	252.125447	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+H+Na"	23.996494
"1467349"	92.040647	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H+Na"	23.996494
"1055125"	61.69619	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2H+Na"	25.00377
"1258627"	193.118286	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+CH3OH+H"	33.033486
"377567"	359.132758	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+K"	38.963158
"738884"	519.217558	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+K"	38.963158
"1543166"	199.047958	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+K"	38.963158
"301072"	180.070017	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+H+K"	39.970434
"693494"	260.112417	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+H+K"	39.970434
"1446222"	100.027617	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H+K"	39.970434
"237374"	362.203426	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+ACN+H"	42.033826
"1211661"	202.118626	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+ACN+H"	42.033826
"1196156"	101.562951	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+ACN+2H"	43.041102
"190483"	365.14076	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+2Na-H"	44.97116
"631876"	525.22556	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+2Na-H"	44.97116
"1132830"	205.05596	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2Na-H"	44.97116
"175391"	183.074018	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+2Na"	45.978436
"612936"	263.116418	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+2Na"	45.978436
"1116998"	103.031618	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2Na"	45.978436
"1399794"	69.023504	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H+2Na"	46.985712
"1430127"	207.097546	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H+HCOOH"	47.012746
"227807"	188.10704	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+3H2O+2H"	56.04448
"1511497"	221.14959	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+IsoProp+H"	61.06479
"412642"	191.060988	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+Na+K"	61.952376
"773636"	271.103388	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+Na+K"	61.952376
"1667538"	111.018588	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Na+K"	61.952376
"253571"	384.185368	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+ACN+Na"	64.015768
"1227369"	224.100568	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+ACN+Na"	64.015768
"1713827"	224.124093	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+NH4+HCOOH"	64.039293
"1180279"	76.350818	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+3Na"	68.967654
"1652240"	229.079488	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Na+HCOOH"	68.994688
"160315"	397.08864	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+2K-H"	76.91904
"601579"	557.17344	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+2K-H"	76.91904
"1088642"	237.00384	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2K-H"	76.91904
"144731"	199.047958	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"2M+2K"	77.926316
"584658"	279.090358	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"3M+2K"	77.926316
"1073540"	119.005558	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2K"	77.926316
"1104564"	239.018392	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2K+H"	78.933592
"1340949"	239.106007	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+DMSO+H"	79.021207
"1013851"	243.145176	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2ACN+H"	83.060376
"1534168"	244.138808	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+IsoProp+Na+H"	84.054008
"1000617"	122.076226	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+2ACN+2H"	84.067652
"1590748"	245.053428	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+K+HCOOH"	84.968628
"1417503"	275.084938	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+H+CF3COOH"	115.000138
"1149977"	142.589501	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+3ACN+2H"	125.094202
"1697465"	292.111485	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+NH4+CF3COOH"	132.026685
"1637373"	297.06688	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+Na+CF3COOH"	136.98208
"1576305"	313.04082	"C10996"	"Daminozide"	"C6H12N2O3"	"160.0848"	"M+K+CF3COOH"	152.95602
"814324"	355.3423	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M"	0
"988228"	336.32391	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-H2O-H"	-19.01839
"76103"	235.887590666667	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M-3H"	-3.021828
"514936"	354.335024	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M-3H"	-3.021828
"892737"	117.440157333333	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-3H"	-3.021828
"5481"	354.335024	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M-2H"	-2.014552
"440182"	532.006174	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M-2H"	-2.014552
"826126"	176.663874	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-2H"	-2.014552
"78670"	709.677324	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M-H"	-1.007276
"520575"	1065.019624	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M-H"	-1.007276
"896186"	354.335024	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-H"	-1.007276
"47205"	726.703871	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M-2H+NH4"	16.019271
"487235"	1082.046171	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M-2H+NH4"	16.019271
"866467"	371.361571	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-2H+NH4"	16.019271
"34369"	731.659266	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M-2H+Na"	20.974666
"476115"	1087.001566	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M-2H+Na"	20.974666
"858291"	376.316966	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-2H+Na"	20.974666
"1623450"	376.316966	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Na-2H"	20.974666
"103628"	372.323363	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M-H+Cl"	33.962126
"544646"	549.994513	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M-H+Cl"	33.962126
"935974"	194.652213	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-H+Cl"	33.962126
"279270"	745.654002	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+Cl"	34.969402
"668413"	1100.996302	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+Cl"	34.969402
"1284097"	390.311702	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Cl"	34.969402
"28478"	747.633206	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M-2H+K"	36.948606
"465118"	1102.975506	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M-2H+K"	36.948606
"841830"	392.290906	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-2H+K"	36.948606
"1559849"	392.290906	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+K-2H"	36.948606
"946641"	400.340494	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-H+HCOOH"	44.998194
"371051"	755.682801	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+HCOOH-H"	44.998201
"355299"	769.698451	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+Hac-H"	59.013851
"1500852"	414.356151	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Hac-H"	59.013851
"970946"	422.322451	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-H+NaCOOH"	66.980151
"114023"	390.311702	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+2Cl"	69.938804
"554677"	567.982852	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+2Cl"	69.938804
"1027854"	212.640552	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2Cl"	69.938804
"1248523"	434.261185	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Br"	78.918885
"1308786"	436.317172	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Cl+HCOOH"	80.974872
"1326282"	458.299129	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Cl+NaCOOH"	102.956829
"918435"	468.327886	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M-H+CF3COOH"	112.985586
"1294048"	504.304564	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Cl+CF3COOH"	148.962264
"1372214"	320.329624	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H-2H2O"	-35.012676
"1385700"	338.3396	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H-H2O"	-17.0027
"288300"	711.691876	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+H"	1.007276
"680721"	1067.034176	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+H"	1.007276
"1355978"	356.349576	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H"	1.007276
"128869"	356.349576	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+2H"	2.014552
"568437"	534.020726	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+2H"	2.014552
"1042701"	178.678426	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2H"	2.014552
"207321"	237.902142666667	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+3H"	3.021828
"648339"	356.349576	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+3H"	3.021828
"1167193"	119.454709333333	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+3H"	3.021828
"429374"	728.718423	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+NH4"	18.033823
"793649"	1084.060723	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+NH4"	18.033823
"1693260"	373.376123	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+NH4"	18.033823
"339353"	364.8628495	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+H+NH4"	19.041099
"723144"	542.5339995	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+H+NH4"	19.041099
"1477941"	187.1916995	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H+NH4"	19.041099
"404273"	733.673818	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+Na"	22.989218
"763080"	1089.016118	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+Na"	22.989218
"1611178"	378.331518	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Na"	22.989218
"320121"	367.340547	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+H+Na"	23.996494
"714732"	545.011697	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+H+Na"	23.996494
"1468552"	189.669397	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H+Na"	23.996494
"1054873"	126.782023333333	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2H+Na"	25.00377
"1259467"	388.375786	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+CH3OH+H"	33.033486
"377797"	749.647758	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+K"	38.963158
"739766"	1104.990058	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+K"	38.963158
"1542911"	394.305458	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+K"	38.963158
"299722"	375.327517	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+H+K"	39.970434
"693604"	552.998667	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+H+K"	39.970434
"1448520"	197.656367	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H+K"	39.970434
"238577"	752.718426	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+ACN+H"	42.033826
"1211652"	397.376126	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+ACN+H"	42.033826
"1196629"	199.191701	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+ACN+2H"	43.041102
"190231"	755.65576	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+2Na-H"	44.97116
"631986"	1110.99806	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+2Na-H"	44.97116
"1134398"	400.31346	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2Na-H"	44.97116
"174407"	378.331518	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+2Na"	45.978436
"613194"	556.002668	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+2Na"	45.978436
"1118931"	200.660368	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2Na"	45.978436
"1399170"	134.109337333333	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H+2Na"	46.985712
"1430435"	402.355046	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H+HCOOH"	47.012746
"227917"	383.36454	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+3H2O+2H"	56.04448
"1512703"	416.40709	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+IsoProp+H"	61.06479
"412387"	386.318488	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+Na+K"	61.952376
"773745"	563.989638	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+Na+K"	61.952376
"1667163"	208.647338	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Na+K"	61.952376
"252952"	774.700368	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+ACN+Na"	64.015768
"1226753"	419.358068	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+ACN+Na"	64.015768
"1714181"	419.381593	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+NH4+HCOOH"	64.039293
"1178577"	141.436651333333	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+3Na"	68.967654
"1650282"	424.336988	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Na+HCOOH"	68.994688
"158237"	787.60364	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+2K-H"	76.91904
"600231"	1142.94594	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+2K-H"	76.91904
"1087659"	432.26134	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2K-H"	76.91904
"143748"	394.305458	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"2M+2K"	77.926316
"582703"	571.976608	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"3M+2K"	77.926316
"1074744"	216.634308	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2K"	77.926316
"1103581"	434.275892	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2K+H"	78.933592
"1341061"	434.363507	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+DMSO+H"	79.021207
"1009591"	438.402676	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2ACN+H"	83.060376
"1534280"	439.396308	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+IsoProp+Na+H"	84.054008
"1000729"	219.704976	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+2ACN+2H"	84.067652
"1593045"	440.310928	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+K+HCOOH"	84.968628
"1423080"	470.342438	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+H+CF3COOH"	115.000138
"1150087"	240.218251	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+3ACN+2H"	125.094202
"1697210"	487.368985	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+NH4+CF3COOH"	132.026685
"1637483"	492.32438	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+Na+CF3COOH"	136.98208
"1576415"	508.29832	"C10997"	"Guazatine;Iminoctadine"	"C18H41N7"	"355.3423"	"M+K+CF3COOH"	152.95602
"815527"	169.0891	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M"	0
"987969"	150.07071	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-H2O-H"	-19.01839
"77672"	111.718790666667	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M-3H"	-3.021828
"516867"	168.081824	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M-3H"	-3.021828
"893574"	55.3557573333333	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-3H"	-3.021828
"8872"	168.081824	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M-2H"	-2.014552
"448434"	252.626374	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M-2H"	-2.014552
"825143"	83.537274	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-2H"	-2.014552
"85134"	337.170924	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M-H"	-1.007276
"522507"	506.260024	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M-H"	-1.007276
"900309"	168.081824	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-H"	-1.007276
"54683"	354.197471	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M-2H+NH4"	16.019271
"487552"	523.286571	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M-2H+NH4"	16.019271
"866577"	185.108371	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-2H+NH4"	16.019271
"35572"	359.152866	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M-2H+Na"	20.974666
"476225"	528.241966	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M-2H+Na"	20.974666
"859494"	190.063766	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-2H+Na"	20.974666
"1623560"	190.063766	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Na-2H"	20.974666
"103372"	186.070163	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M-H+Cl"	33.962126
"541838"	270.614713	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M-H+Cl"	33.962126
"938271"	101.525613	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-H+Cl"	33.962126
"280473"	373.147602	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+Cl"	34.969402
"673628"	542.236702	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+Cl"	34.969402
"1285667"	204.058502	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Cl"	34.969402
"30294"	375.126806	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M-2H+K"	36.948606
"468876"	544.215906	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M-2H+K"	36.948606
"839754"	206.037706	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-2H+K"	36.948606
"1562147"	206.037706	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+K-2H"	36.948606
"951126"	214.087294	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-H+HCOOH"	44.998194
"375173"	383.176401	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+HCOOH-H"	44.998201
"356502"	397.192051	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+Hac-H"	59.013851
"1503149"	228.102951	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Hac-H"	59.013851
"968505"	236.069251	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-H+NaCOOH"	66.980151
"116321"	204.058502	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+2Cl"	69.938804
"556975"	288.603052	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+2Cl"	69.938804
"1027964"	119.513952	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2Cl"	69.938804
"1251914"	248.007985	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Br"	78.918885
"1315457"	250.063972	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Cl+HCOOH"	80.974872
"1330766"	272.045929	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Cl+NaCOOH"	102.956829
"921825"	282.074686	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M-H+CF3COOH"	112.985586
"1299626"	318.051364	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Cl+CF3COOH"	148.962264
"1372323"	134.076424	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H-2H2O"	-35.012676
"1390912"	152.0864	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H-H2O"	-17.0027
"289504"	339.185476	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+H"	1.007276
"682288"	508.274576	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+H"	1.007276
"1363743"	170.096376	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H"	1.007276
"132259"	170.096376	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+2H"	2.014552
"570733"	254.640926	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+2H"	2.014552
"1046091"	85.551826	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2H"	2.014552
"212899"	113.733342666667	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+3H"	3.021828
"652458"	170.096376	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+3H"	3.021828
"1168396"	57.3703093333333	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+3H"	3.021828
"432764"	356.212023	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+NH4"	18.033823
"791572"	525.301123	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+NH4"	18.033823
"1692277"	187.122923	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+NH4"	18.033823
"338369"	178.6096495	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+H+NH4"	19.041099
"725322"	263.1541995	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+H+NH4"	19.041099
"1479873"	94.0650995	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H+NH4"	19.041099
"404383"	361.167418	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+Na"	22.989218
"764283"	530.256518	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+Na"	22.989218
"1614568"	192.078318	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Na"	22.989218
"321324"	181.087347	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+H+Na"	23.996494
"715936"	265.631897	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+H+Na"	23.996494
"1470848"	96.542797	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H+Na"	23.996494
"1056440"	64.6976233333333	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2H+Na"	25.00377
"1259941"	202.122586	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+CH3OH+H"	33.033486
"378879"	377.141358	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+K"	38.963158
"740967"	546.230458	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+K"	38.963158
"1541930"	208.052258	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+K"	38.963158
"300925"	189.074317	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+H+K"	39.970434
"694078"	273.618867	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+H+K"	39.970434
"1448630"	104.529767	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H+K"	39.970434
"237232"	380.212026	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+ACN+H"	42.033826
"1212128"	211.122926	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+ACN+H"	42.033826
"1196010"	106.065101	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+ACN+2H"	43.041102
"189855"	383.14936	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+2Na-H"	44.97116
"632825"	552.23846	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+2Na-H"	44.97116
"1135602"	214.06026	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2Na-H"	44.97116
"179622"	192.078318	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+2Na"	45.978436
"620640"	276.622868	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+2Na"	45.978436
"1121958"	107.533768	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2Na"	45.978436
"1401472"	72.0249373333333	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H+2Na"	46.985712
"1433225"	216.101846	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H+HCOOH"	47.012746
"225841"	197.11134	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+3H2O+2H"	56.04448
"1513173"	230.15389	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+IsoProp+H"	61.06479
"412498"	200.065288	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+Na+K"	61.952376
"772760"	284.609838	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+Na+K"	61.952376
"1668728"	115.520738	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Na+K"	61.952376
"255248"	402.193968	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+ACN+Na"	64.015768
"1227228"	233.104868	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+ACN+Na"	64.015768
"1714295"	233.128393	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+NH4+HCOOH"	64.039293
"1180015"	79.3522513333333	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+3Na"	68.967654
"1651365"	238.083788	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Na+HCOOH"	68.994688
"158590"	415.09724	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+2K-H"	76.91904
"601800"	584.18634	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+2K-H"	76.91904
"1088501"	246.00814	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2K-H"	76.91904
"147506"	208.052258	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"2M+2K"	77.926316
"584879"	292.596808	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"3M+2K"	77.926316
"1070724"	123.507708	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2K"	77.926316
"1108069"	248.022692	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2K+H"	78.933592
"1343361"	248.110307	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+DMSO+H"	79.021207
"1014077"	252.149476	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2ACN+H"	83.060376
"1534390"	253.143108	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+IsoProp+Na+H"	84.054008
"1000839"	126.578376	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+2ACN+2H"	84.067652
"1590968"	254.057728	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+K+HCOOH"	84.968628
"1418816"	284.089238	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+H+CF3COOH"	115.000138
"1153482"	147.091651	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+3ACN+2H"	125.094202
"1706313"	301.115785	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+NH4+CF3COOH"	132.026685
"1637593"	306.07118	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+Na+CF3COOH"	136.98208
"1576525"	322.04512	"C10998"	"4-Aminobiphenyl"	"C12H11N"	"169.0891"	"M+K+CF3COOH"	152.95602
"806889"	266.0378	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M"	0
"985893"	247.01941	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-H2O-H"	-19.01839
"73042"	176.351257333333	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M-3H"	-3.021828
"516976"	265.030524	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M-3H"	-3.021828
"890404"	87.6719906666667	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-3H"	-3.021828
"8982"	265.030524	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M-2H"	-2.014552
"445264"	398.049424	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M-2H"	-2.014552
"825253"	132.011624	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-2H"	-2.014552
"90712"	531.068324	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M-H"	-1.007276
"524805"	797.106124	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M-H"	-1.007276
"905887"	265.030524	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-H"	-1.007276
"52607"	548.094871	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M-2H+NH4"	16.019271
"487122"	814.132671	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M-2H+NH4"	16.019271
"864235"	282.057071	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-2H+NH4"	16.019271
"33370"	553.050266	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M-2H+Na"	20.974666
"473296"	819.088066	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M-2H+Na"	20.974666
"851949"	287.012466	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-2H+Na"	20.974666
"1623667"	287.012466	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Na-2H"	20.974666
"104576"	283.018863	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M-H+Cl"	33.962126
"543041"	416.037763	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M-H+Cl"	33.962126
"939837"	149.999963	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-H+Cl"	33.962126
"280582"	567.045002	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+Cl"	34.969402
"674469"	833.082802	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+Cl"	34.969402
"1282132"	301.007202	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Cl"	34.969402
"29062"	569.024206	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M-2H+K"	36.948606
"470812"	835.062006	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M-2H+K"	36.948606
"839865"	302.986406	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-2H+K"	36.948606
"1564444"	302.986406	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+K-2H"	36.948606
"951236"	311.035994	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-H+HCOOH"	44.998194
"372732"	577.073801	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+HCOOH-H"	44.998201
"357709"	591.089451	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+Hac-H"	59.013851
"1503259"	325.051651	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Hac-H"	59.013851
"973846"	333.017951	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-H+NaCOOH"	66.980151
"115338"	301.007202	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+2Cl"	69.938804
"555992"	434.026102	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+2Cl"	69.938804
"1028074"	167.988302	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2Cl"	69.938804
"1253847"	344.956685	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Br"	78.918885
"1316660"	347.012672	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Cl+HCOOH"	80.974872
"1328691"	368.994629	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Cl+NaCOOH"	102.956829
"921935"	379.023386	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M-H+CF3COOH"	112.985586
"1295363"	415.000064	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Cl+CF3COOH"	148.962264
"1373526"	231.025124	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H-2H2O"	-35.012676
"1397462"	249.0351	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H-H2O"	-17.0027
"288520"	533.082876	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+H"	1.007276
"683129"	799.120676	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+H"	1.007276
"1360573"	267.045076	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H"	1.007276
"130181"	267.045076	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+2H"	2.014552
"569384"	400.063976	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+2H"	2.014552
"1042921"	134.026176	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2H"	2.014552
"211914"	178.365809333333	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+3H"	3.021828
"649287"	267.045076	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+3H"	3.021828
"1166319"	89.6865426666667	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+3H"	3.021828
"432872"	550.109423	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+NH4"	18.033823
"791681"	816.147223	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+NH4"	18.033823
"1691293"	284.071623	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+NH4"	18.033823
"338478"	275.5583495	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+H+NH4"	19.041099
"723000"	408.5772495	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+H+NH4"	19.041099
"1477670"	142.5394495	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H+NH4"	19.041099
"404493"	555.064818	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+Na"	22.989218
"761114"	821.102618	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+Na"	22.989218
"1610304"	289.027018	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Na"	22.989218
"322528"	278.036047	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+H+Na"	23.996494
"716046"	411.054947	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+H+Na"	23.996494
"1468773"	145.017147	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H+Na"	23.996494
"1056185"	97.0138566666667	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2H+Na"	25.00377
"1258956"	299.071286	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+CH3OH+H"	33.033486
"378622"	571.038758	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+K"	38.963158
"739987"	837.076558	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+K"	38.963158
"1542040"	305.000958	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+K"	38.963158
"304684"	286.023017	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+H+K"	39.970434
"696013"	419.041917	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+H+K"	39.970434
"1446187"	153.004117	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H+K"	39.970434
"237345"	574.109426	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+ACN+H"	42.033826
"1211145"	308.071626	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+ACN+H"	42.033826
"1194785"	154.539451	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+ACN+2H"	43.041102
"189720"	577.04676	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+2Na-H"	44.97116
"639496"	843.08456	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+2Na-H"	44.97116
"1140816"	311.00896	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2Na-H"	44.97116
"176814"	289.027018	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+2Na"	45.978436
"616010"	422.045918	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+2Na"	45.978436
"1119151"	156.008118	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2Na"	45.978436
"1400488"	104.341170666667	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H+2Na"	46.985712
"1433699"	313.050546	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H+HCOOH"	47.012746
"225951"	294.06004	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+3H2O+2H"	56.04448
"1511097"	327.10259	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+IsoProp+H"	61.06479
"416981"	297.013988	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+Na+K"	61.952376
"772874"	430.032888	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+Na+K"	61.952376
"1667745"	163.995088	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Na+K"	61.952376
"254629"	596.091368	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+ACN+Na"	64.015768
"1228067"	330.053568	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+ACN+Na"	64.015768
"1716228"	330.077093	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+NH4+HCOOH"	64.039293
"1179759"	111.668484666667	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+3Na"	68.967654
"1651110"	335.032488	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Na+HCOOH"	68.994688
"159431"	608.99464	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+2K-H"	76.91904
"603004"	875.03244	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+2K-H"	76.91904
"1088609"	342.95684	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2K-H"	76.91904
"147616"	305.000958	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"2M+2K"	77.926316
"584259"	438.019858	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"3M+2K"	77.926316
"1070107"	171.982058	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2K"	77.926316
"1108179"	344.971392	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2K+H"	78.933592
"1343471"	345.059007	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+DMSO+H"	79.021207
"1014188"	349.098176	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2ACN+H"	83.060376
"1535961"	350.091808	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+IsoProp+Na+H"	84.054008
"1003506"	175.052726	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+2ACN+2H"	84.067652
"1600558"	351.006428	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+K+HCOOH"	84.968628
"1423300"	381.037938	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+H+CF3COOH"	115.000138
"1154685"	195.566001	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+3ACN+2H"	125.094202
"1703143"	398.064485	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+NH4+CF3COOH"	132.026685
"1637703"	403.01988	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+Na+CF3COOH"	136.98208
"1576635"	418.99382	"C10999"	"44-Methylene-bis-(2-chloroaniline);Methylenebis(chloroaniline);MOCA"	"C13H12Cl2N2"	"266.0378"	"M+K+CF3COOH"	152.95602
"817000"	205.965	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M"	0
"989915"	186.94661	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-H2O-H"	-19.01839
"78500"	136.302724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M-3H"	-3.021828
"518360"	204.957724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M-3H"	-3.021828
"893795"	67.647724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-3H"	-3.021828
"12741"	204.957724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M-2H"	-2.014552
"449749"	307.940224	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M-2H"	-2.014552
"827551"	101.975224	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-2H"	-2.014552
"86450"	410.922724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M-H"	-1.007276
"529291"	616.887724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M-H"	-1.007276
"907093"	204.957724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-H"	-1.007276
"57092"	427.949271	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M-2H+NH4"	16.019271
"493371"	633.914271	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M-2H+NH4"	16.019271
"873359"	221.984271	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-2H+NH4"	16.019271
"39074"	432.904666	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M-2H+Na"	20.974666
"481915"	638.869666	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M-2H+Na"	20.974666
"857530"	226.939666	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-2H+Na"	20.974666
"1623781"	226.939666	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Na-2H"	20.974666
"103594"	222.946063	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M-H+Cl"	33.962126
"546435"	325.928563	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M-H+Cl"	33.962126
"936668"	119.963563	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-H+Cl"	33.962126
"279598"	446.899402	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+Cl"	34.969402
"673121"	652.864402	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+Cl"	34.969402
"1283336"	240.934402	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Cl"	34.969402
"28082"	448.878606	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M-2H+K"	36.948606
"464362"	654.843606	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M-2H+K"	36.948606
"838884"	242.913606	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-2H+K"	36.948606
"1560184"	242.913606	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+K-2H"	36.948606
"949160"	250.963194	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-H+HCOOH"	44.998194
"369561"	456.928201	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+HCOOH-H"	44.998201
"355270"	470.943851	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+Hac-H"	59.013851
"1507384"	264.978851	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Hac-H"	59.013851
"973349"	272.945151	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-H+NaCOOH"	66.980151
"118365"	240.934402	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+2Cl"	69.938804
"563028"	343.916902	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+2Cl"	69.938804
"1033287"	137.951902	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2Cl"	69.938804
"1246670"	284.883885	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Br"	78.918885
"1310211"	286.939872	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Cl+HCOOH"	80.974872
"1330990"	308.921829	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Cl+NaCOOH"	102.956829
"920955"	318.950586	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M-H+CF3COOH"	112.985586
"1299852"	354.927264	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Cl+CF3COOH"	148.962264
"1376919"	170.952324	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H-2H2O"	-35.012676
"1391135"	188.9623	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H-H2O"	-17.0027
"287542"	412.937276	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+H"	1.007276
"681056"	618.902276	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+H"	1.007276
"1357403"	206.972276	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H"	1.007276
"129199"	206.972276	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+2H"	2.014552
"568399"	309.954776	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+2H"	2.014552
"1042302"	103.989776	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2H"	2.014552
"216398"	138.317276	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+3H"	3.021828
"653773"	206.972276	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+3H"	3.021828
"1171897"	69.662276	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+3H"	3.021828
"431889"	429.963823	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+NH4"	18.033823
"789239"	635.928823	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+NH4"	18.033823
"1683749"	223.998823	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+NH4"	18.033823
"334579"	215.4855495	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+H+NH4"	19.041099
"722881"	318.4680495	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+H+NH4"	19.041099
"1481187"	112.5030495	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H+NH4"	19.041099
"394032"	434.919218	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+Na"	22.989218
"759403"	640.884218	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+Na"	22.989218
"1606406"	228.954218	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Na"	22.989218
"318266"	217.963247	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+H+Na"	23.996494
"719436"	320.945747	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+H+Na"	23.996494
"1463779"	114.980747	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H+Na"	23.996494
"1056296"	76.98959	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2H+Na"	25.00377
"1259431"	238.998486	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+CH3OH+H"	33.033486
"380197"	450.893158	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+K"	38.963158
"744473"	656.858158	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+K"	38.963158
"1547619"	244.928158	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+K"	38.963158
"302607"	225.950217	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+H+K"	39.970434
"693935"	328.932717	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+H+K"	39.970434
"1449946"	122.967717	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H+K"	39.970434
"238547"	453.963826	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+ACN+H"	42.033826
"1211379"	247.998826	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+ACN+H"	42.033826
"1194409"	124.503051	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+ACN+2H"	43.041102
"193118"	456.90116	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+2Na-H"	44.97116
"638512"	662.86616	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+2Na-H"	44.97116
"1132904"	250.93616	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2Na-H"	44.97116
"175466"	228.954218	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+2Na"	45.978436
"615026"	331.936718	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+2Na"	45.978436
"1115822"	125.971718	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2Na"	45.978436
"1398569"	84.316904	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H+2Na"	46.985712
"1434905"	252.977746	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H+HCOOH"	47.012746
"231530"	233.98724	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+3H2O+2H"	56.04448
"1511935"	267.02979	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+IsoProp+H"	61.06479
"410166"	236.941188	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+Na+K"	61.952376
"770916"	339.923688	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+Na+K"	61.952376
"1667489"	133.958688	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Na+K"	61.952376
"254007"	475.945768	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+ACN+Na"	64.015768
"1227084"	269.980768	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+ACN+Na"	64.015768
"1716339"	270.004293	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+NH4+HCOOH"	64.039293
"1180600"	91.644218	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+3Na"	68.967654
"1654867"	274.959688	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Na+HCOOH"	68.994688
"167926"	488.84904	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+2K-H"	76.91904
"602382"	694.81404	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+2K-H"	76.91904
"1090540"	282.88404	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2K-H"	76.91904
"151006"	244.928158	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"2M+2K"	77.926316
"586193"	347.910658	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"3M+2K"	77.926316
"1079090"	141.945658	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2K"	77.926316
"1108290"	284.898592	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2K+H"	78.933592
"1344674"	284.986207	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+DMSO+H"	79.021207
"1016485"	289.025376	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2ACN+H"	83.060376
"1538258"	290.019008	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+IsoProp+Na+H"	84.054008
"998874"	145.016326	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+2ACN+2H"	84.067652
"1595565"	290.933628	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+K+HCOOH"	84.968628
"1421226"	320.965138	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+H+CF3COOH"	115.000138
"1154795"	165.529601	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+3ACN+2H"	125.094202
"1706533"	337.991685	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+NH4+CF3COOH"	132.026685
"1638906"	342.94708	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+Na+CF3COOH"	136.98208
"1576745"	358.92102	"C11000"	"Dichloran;Dicloran;26-Dichloro-4-nitroaniline;DCNA"	"C6H4Cl2N2O2"	"205.965"	"M+K+CF3COOH"	152.95602
"807109"	149.1204	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M"	0
"987202"	130.10201	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-H2O-H"	-19.01839
"73260"	98.406324	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M-3H"	-3.021828
"513912"	148.113124	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M-3H"	-3.021828
"892808"	48.699524	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-3H"	-3.021828
"13575"	148.113124	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M-2H"	-2.014552
"453138"	222.673324	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M-2H"	-2.014552
"827661"	73.552924	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-2H"	-2.014552
"93000"	297.233524	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M-H"	-1.007276
"527213"	446.353924	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M-H"	-1.007276
"905017"	148.113124	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-H"	-1.007276
"56109"	314.260071	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M-2H+NH4"	16.019271
"490201"	463.380471	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M-2H+NH4"	16.019271
"865450"	165.139671	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-2H+NH4"	16.019271
"39185"	319.215466	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M-2H+Na"	20.974666
"476558"	468.335866	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M-2H+Na"	20.974666
"856546"	170.095066	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-2H+Na"	20.974666
"1623891"	170.095066	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Na-2H"	20.974666
"109871"	166.101463	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M-H+Cl"	33.962126
"549753"	240.661663	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M-H+Cl"	33.962126
"938966"	91.541263	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-H+Cl"	33.962126
"277522"	333.210202	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+Cl"	34.969402
"671043"	482.330602	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+Cl"	34.969402
"1284539"	184.089802	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Cl"	34.969402
"23818"	335.189406	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M-2H+K"	36.948606
"461191"	484.309806	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M-2H+K"	36.948606
"843368"	186.069006	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-2H+K"	36.948606
"1558471"	186.069006	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+K-2H"	36.948606
"948178"	194.118594	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-H+HCOOH"	44.998194
"371858"	343.239001	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+HCOOH-H"	44.998201
"356110"	357.254651	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+Hac-H"	59.013851
"1504214"	208.134251	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Hac-H"	59.013851
"972849"	216.100551	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-H+NaCOOH"	66.980151
"122850"	184.089802	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+2Cl"	69.938804
"558400"	258.650002	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+2Cl"	69.938804
"1029387"	109.529602	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2Cl"	69.938804
"1254068"	228.039285	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Br"	78.918885
"1308499"	230.095272	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Cl+HCOOH"	80.974872
"1328913"	252.077229	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Cl+NaCOOH"	102.956829
"921065"	262.105986	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M-H+CF3COOH"	112.985586
"1298867"	298.082664	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Cl+CF3COOH"	148.962264
"1373749"	114.107724	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H-2H2O"	-35.012676
"1391245"	132.1177	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H-H2O"	-17.0027
"288745"	299.248076	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+H"	1.007276
"684446"	448.368476	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+H"	1.007276
"1357513"	150.127676	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H"	1.007276
"130404"	150.127676	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+2H"	2.014552
"569238"	224.687876	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+2H"	2.014552
"1043142"	75.567476	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2H"	2.014552
"217602"	100.420876	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+3H"	3.021828
"654976"	150.127676	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+3H"	3.021828
"1172007"	50.714076	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+3H"	3.021828
"433093"	316.274623	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+NH4"	18.033823
"788622"	465.395023	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+NH4"	18.033823
"1684952"	167.154223	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+NH4"	18.033823
"333960"	158.6409495	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+H+NH4"	19.041099
"727842"	233.2011495	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+H+NH4"	19.041099
"1479839"	84.0807495	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H+NH4"	19.041099
"394507"	321.230018	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+Na"	22.989218
"754772"	470.350418	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+Na"	22.989218
"1607245"	172.109618	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Na"	22.989218
"318376"	161.118647	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+H+Na"	23.996494
"719546"	235.678847	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+H+Na"	23.996494
"1464983"	86.558447	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H+Na"	23.996494
"1055677"	58.04139	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2H+Na"	25.00377
"1257434"	182.153886	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+CH3OH+H"	33.033486
"381399"	337.203958	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+K"	38.963158
"742759"	486.324358	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+K"	38.963158
"1541531"	188.083558	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+K"	38.963158
"299799"	169.105617	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+H+K"	39.970434
"691857"	243.665817	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+H+K"	39.970434
"1448963"	94.545417	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H+K"	39.970434
"238659"	340.274626	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+ACN+H"	42.033826
"1211368"	191.154226	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+ACN+H"	42.033826
"1194215"	96.080751	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+ACN+2H"	43.041102
"189947"	343.21196	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+2Na-H"	44.97116
"632789"	492.33236	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+2Na-H"	44.97116
"1133380"	194.09156	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2Na-H"	44.97116
"175576"	172.109618	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+2Na"	45.978436
"615136"	246.669818	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+2Na"	45.978436
"1115880"	97.549418	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2Na"	45.978436
"1398801"	65.368704	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H+2Na"	46.985712
"1434651"	196.133146	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H+HCOOH"	47.012746
"234556"	177.14264	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+3H2O+2H"	56.04448
"1512046"	210.18519	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+IsoProp+H"	61.06479
"409912"	180.096588	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+Na+K"	61.952376
"770783"	254.656788	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+Na+K"	61.952376
"1666139"	105.536388	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Na+K"	61.952376
"253390"	362.256568	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+ACN+Na"	64.015768
"1228286"	213.136168	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+ACN+Na"	64.015768
"1714990"	213.159693	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+NH4+HCOOH"	64.039293
"1181438"	72.696018	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+3Na"	68.967654
"1652422"	218.115088	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Na+HCOOH"	68.994688
"158192"	375.15984	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+2K-H"	76.91904
"609420"	524.28024	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+2K-H"	76.91904
"1094296"	226.03944	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2K-H"	76.91904
"143824"	188.083558	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"2M+2K"	77.926316
"585209"	262.643758	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"3M+2K"	77.926316
"1075190"	113.523358	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2K"	77.926316
"1105119"	228.053992	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2K+H"	78.933592
"1343691"	228.141607	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+DMSO+H"	79.021207
"1014407"	232.180776	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2ACN+H"	83.060376
"1534721"	233.174408	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+IsoProp+Na+H"	84.054008
"1001169"	116.594026	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+2ACN+2H"	84.067652
"1594582"	234.089028	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+K+HCOOH"	84.968628
"1421336"	264.120538	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+H+CF3COOH"	115.000138
"1153812"	137.107301	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+3ACN+2H"	125.094202
"1704457"	281.147085	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+NH4+CF3COOH"	132.026685
"1637923"	286.10248	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+Na+CF3COOH"	136.98208
"1576855"	302.07642	"C11001"	"26-Diethylaniline;DEA"	"C10H15N"	"149.1204"	"M+K+CF3COOH"	152.95602
"807219"	345.1164	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M"	0
"985126"	326.09801	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-H2O-H"	-19.01839
"73370"	229.070324	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M-3H"	-3.021828
"514022"	344.109124	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M-3H"	-3.021828
"893647"	114.031524	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-3H"	-3.021828
"13685"	344.109124	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M-2H"	-2.014552
"453248"	516.667324	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M-2H"	-2.014552
"827771"	171.550924	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-2H"	-2.014552
"92989"	689.225524	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M-H"	-1.007276
"527323"	1034.341924	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M-H"	-1.007276
"905126"	344.109124	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-H"	-1.007276
"49658"	706.252071	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M-2H+NH4"	16.019271
"490310"	1051.368471	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M-2H+NH4"	16.019271
"865681"	361.135671	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-2H+NH4"	16.019271
"32124"	711.207466	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M-2H+Na"	20.974666
"476668"	1056.323866	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M-2H+Na"	20.974666
"853376"	366.091066	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-2H+Na"	20.974666
"1625094"	366.091066	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Na-2H"	20.974666
"100533"	362.097463	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M-H+Cl"	33.962126
"542280"	534.655663	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M-H+Cl"	33.962126
"937983"	189.539263	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-H+Cl"	33.962126
"276539"	725.202202	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+Cl"	34.969402
"672856"	1070.318602	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+Cl"	34.969402
"1283556"	380.085802	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Cl"	34.969402
"23928"	727.181406	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M-2H+K"	36.948606
"461301"	1072.297806	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M-2H+K"	36.948606
"840198"	382.065006	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-2H+K"	36.948606
"1557488"	382.065006	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+K-2H"	36.948606
"948288"	390.114594	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-H+HCOOH"	44.998194
"371604"	735.231001	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+HCOOH-H"	44.998201
"356220"	749.246651	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+Hac-H"	59.013851
"1502501"	404.130251	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Hac-H"	59.013851
"971865"	412.096551	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-H+NaCOOH"	66.980151
"117857"	380.085802	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+2Cl"	69.938804
"560333"	552.644002	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+2Cl"	69.938804
"1028404"	207.527602	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2Cl"	69.938804
"1253449"	424.035285	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Br"	78.918885
"1308245"	426.091272	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Cl+HCOOH"	80.974872
"1329023"	448.073229	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Cl+NaCOOH"	102.956829
"920811"	458.101986	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M-H+CF3COOH"	112.985586
"1298977"	494.078664	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Cl+CF3COOH"	148.962264
"1373859"	310.103724	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H-2H2O"	-35.012676
"1388075"	328.1137	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H-H2O"	-17.0027
"285575"	691.240076	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+H"	1.007276
"683463"	1036.356476	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+H"	1.007276
"1358716"	346.123676	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H"	1.007276
"128327"	346.123676	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+2H"	2.014552
"567526"	518.681876	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+2H"	2.014552
"1041429"	173.565476	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2H"	2.014552
"218321"	231.084876	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+3H"	3.021828
"657272"	346.123676	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+3H"	3.021828
"1174304"	116.046076	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+3H"	3.021828
"433203"	708.266623	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+NH4"	18.033823
"789096"	1053.383023	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+NH4"	18.033823
"1685427"	363.150223	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+NH4"	18.033823
"335891"	354.6369495	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+H+NH4"	19.041099
"725036"	527.1951495	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+H+NH4"	19.041099
"1480313"	182.0787495	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H+NH4"	19.041099
"394253"	713.222018	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+Na"	22.989218
"756339"	1058.338418	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+Na"	22.989218
"1607355"	368.105618	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Na"	22.989218
"319579"	357.114647	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+H+Na"	23.996494
"714189"	529.672847	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+H+Na"	23.996494
"1465822"	184.556447	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H+Na"	23.996494
"1055785"	123.37339	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2H+Na"	25.00377
"1257826"	378.149886	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+CH3OH+H"	33.033486
"382604"	729.195958	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+K"	38.963158
"742505"	1074.312358	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+K"	38.963158
"1541274"	384.079558	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+K"	38.963158
"299544"	365.101617	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+H+K"	39.970434
"692447"	537.659817	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+H+K"	39.970434
"1446882"	192.543417	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H+K"	39.970434
"237671"	732.266626	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+ACN+H"	42.033826
"1212570"	387.150226	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+ACN+H"	42.033826
"1194464"	194.078751	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+ACN+2H"	43.041102
"189326"	735.20396	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+2Na-H"	44.97116
"631440"	1080.32036	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+2Na-H"	44.97116
"1132636"	390.08756	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2Na-H"	44.97116
"173167"	368.105618	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+2Na"	45.978436
"612815"	540.663818	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+2Na"	45.978436
"1115647"	195.547418	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2Na"	45.978436
"1398555"	130.700704	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H+2Na"	46.985712
"1433665"	392.129146	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H+HCOOH"	47.012746
"234424"	373.13864	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+3H2O+2H"	56.04448
"1512520"	406.18119	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+IsoProp+H"	61.06479
"409293"	376.092588	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+Na+K"	61.952376
"771746"	548.650788	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+Na+K"	61.952376
"1666980"	203.534388	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Na+K"	61.952376
"252771"	754.248568	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+ACN+Na"	64.015768
"1228396"	409.132168	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+ACN+Na"	64.015768
"1716193"	409.155693	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+NH4+HCOOH"	64.039293
"1179968"	138.028018	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+3Na"	68.967654
"1651439"	414.111088	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Na+HCOOH"	68.994688
"157573"	767.15184	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+2K-H"	76.91904
"608438"	1112.26824	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+2K-H"	76.91904
"1088208"	422.03544	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2K-H"	76.91904
"145026"	384.079558	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"2M+2K"	77.926316
"585319"	556.637758	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"3M+2K"	77.926316
"1075300"	211.521358	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2K"	77.926316
"1104136"	424.049992	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2K+H"	78.933592
"1342708"	424.137607	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+DMSO+H"	79.021207
"1013424"	428.176776	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2ACN+H"	83.060376
"1533738"	429.170408	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+IsoProp+Na+H"	84.054008
"999093"	214.592026	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+2ACN+2H"	84.067652
"1593599"	430.085028	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+K+HCOOH"	84.968628
"1421446"	460.116538	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+H+CF3COOH"	115.000138
"1153922"	235.105301	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+3ACN+2H"	125.094202
"1705660"	477.143085	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+NH4+CF3COOH"	132.026685
"1638033"	482.09848	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+Na+CF3COOH"	136.98208
"1576965"	498.07242	"C11002"	"Isofenphos"	"C15H24NO4PS"	"345.1164"	"M+K+CF3COOH"	152.95602
"808422"	121.0891	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M"	0
"985236"	102.07071	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-H2O-H"	-19.01839
"73480"	79.7187906666667	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M-3H"	-3.021828
"515227"	120.081824	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M-3H"	-3.021828
"895216"	39.3557573333333	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-3H"	-3.021828
"13795"	120.081824	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M-2H"	-2.014552
"454451"	180.626374	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M-2H"	-2.014552
"827881"	59.537274	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-2H"	-2.014552
"90061"	241.170924	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M-H"	-1.007276
"528527"	362.260024	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M-H"	-1.007276
"906329"	120.081824	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-H"	-1.007276
"56329"	258.197471	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M-2H+NH4"	16.019271
"489327"	379.286571	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M-2H+NH4"	16.019271
"867129"	137.108371	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-2H+NH4"	16.019271
"39405"	263.152866	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M-2H+Na"	20.974666
"478966"	384.241966	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M-2H+Na"	20.974666
"857860"	142.063766	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-2H+Na"	20.974666
"1621926"	142.063766	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Na-2H"	20.974666
"101736"	138.070163	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M-H+Cl"	33.962126
"542390"	198.614713	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M-H+Cl"	33.962126
"931531"	77.525613	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-H+Cl"	33.962126
"280903"	277.147602	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+Cl"	34.969402
"673817"	398.236702	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+Cl"	34.969402
"1287315"	156.058502	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Cl"	34.969402
"21852"	279.126806	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M-2H+K"	36.948606
"462506"	400.215906	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M-2H+K"	36.948606
"843588"	158.037706	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-2H+K"	36.948606
"1557235"	158.037706	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+K-2H"	36.948606
"951679"	166.087294	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-H+HCOOH"	44.998194
"370988"	287.176401	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+HCOOH-H"	44.998201
"351593"	301.192051	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+Hac-H"	59.013851
"1503341"	180.102951	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Hac-H"	59.013851
"970154"	188.069251	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-H+NaCOOH"	66.980151
"122341"	156.058502	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+2Cl"	69.938804
"554248"	216.603052	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+2Cl"	69.938804
"1024140"	95.513952	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2Cl"	69.938804
"1245907"	200.007985	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Br"	78.918885
"1308353"	202.063972	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Cl+HCOOH"	80.974872
"1323667"	224.045929	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Cl+NaCOOH"	102.956829
"918006"	234.074686	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M-H+CF3COOH"	112.985586
"1293621"	270.051364	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Cl+CF3COOH"	148.962264
"1379436"	86.076424	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H-2H2O"	-35.012676
"1388185"	104.0864	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H-H2O"	-17.0027
"292244"	243.185476	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+H"	1.007276
"689039"	364.274576	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+H"	1.007276
"1357735"	122.096376	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H"	1.007276
"129896"	122.096376	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+2H"	2.014552
"568365"	182.640926	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+2H"	2.014552
"1040078"	61.551826	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2H"	2.014552
"208344"	81.7333426666667	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+3H"	3.021828
"645716"	122.096376	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+3H"	3.021828
"1167854"	41.3703093333333	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+3H"	3.021828
"431129"	260.212023	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+NH4"	18.033823
"792490"	381.301123	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+NH4"	18.033823
"1688456"	139.122923	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+NH4"	18.033823
"336736"	130.6096495	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+H+NH4"	19.041099
"725145"	191.1541995	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+H+NH4"	19.041099
"1482974"	70.0650995	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H+NH4"	19.041099
"401653"	265.167418	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+Na"	22.989218
"768116"	386.256518	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+Na"	22.989218
"1611841"	144.078318	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Na"	22.989218
"321879"	133.087347	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+H+Na"	23.996494
"711019"	193.631897	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+H+Na"	23.996494
"1464839"	72.542797	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H+Na"	23.996494
"1055534"	48.6976233333333	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2H+Na"	25.00377
"1259763"	154.122586	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+CH3OH+H"	33.033486
"380525"	281.141358	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+K"	38.963158
"739164"	402.230458	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+K"	38.963158
"1541386"	160.052258	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+K"	38.963158
"300749"	141.074317	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+H+K"	39.970434
"696455"	201.618867	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+H+K"	39.970434
"1450277"	80.529767	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H+K"	39.970434
"238878"	284.212026	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+ACN+H"	42.033826
"1213408"	163.122926	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+ACN+H"	42.033826
"1194986"	82.065101	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+ACN+2H"	43.041102
"192355"	287.14936	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+2Na-H"	44.97116
"633009"	408.23846	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+2Na-H"	44.97116
"1135057"	166.06026	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2Na-H"	44.97116
"174459"	144.078318	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+2Na"	45.978436
"613524"	204.622868	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+2Na"	45.978436
"1115817"	83.533768	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2Na"	45.978436
"1398735"	56.0249373333333	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H+2Na"	46.985712
"1432683"	168.101846	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H+HCOOH"	47.012746
"230767"	149.11134	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+3H2O+2H"	56.04448
"1518465"	182.15389	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+IsoProp+H"	61.06479
"410859"	152.065288	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+Na+K"	61.952376
"771855"	212.609838	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+Na+K"	61.952376
"1666363"	91.520738	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Na+K"	61.952376
"251596"	306.193968	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+ACN+Na"	64.015768
"1230696"	185.104868	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+ACN+Na"	64.015768
"1716302"	185.128393	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+NH4+HCOOH"	64.039293
"1179592"	63.3522513333333	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+3Na"	68.967654
"1651549"	190.083788	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Na+HCOOH"	68.994688
"158049"	319.09724	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+2K-H"	76.91904
"607089"	440.18634	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+2K-H"	76.91904
"1088683"	198.00814	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2K-H"	76.91904
"144407"	160.052258	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"2M+2K"	77.926316
"586523"	220.596808	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"3M+2K"	77.926316
"1080515"	99.507708	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2K"	77.926316
"1110079"	200.022692	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2K+H"	78.933592
"1343548"	200.110307	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+DMSO+H"	79.021207
"1017547"	204.149476	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2ACN+H"	83.060376
"1536765"	205.143108	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+IsoProp+Na+H"	84.054008
"1003214"	102.578376	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+2ACN+2H"	84.067652
"1596989"	206.057728	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+K+HCOOH"	84.968628
"1419368"	236.089238	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+H+CF3COOH"	115.000138
"1155123"	123.091651	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+3ACN+2H"	125.094202
"1704675"	253.115785	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+NH4+CF3COOH"	132.026685
"1645794"	258.07118	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+Na+CF3COOH"	136.98208
"1577075"	274.04512	"C11003"	"24-Xylidine;24-Dimethylaniline;24-DMA"	"C8H11N"	"121.0891"	"M+K+CF3COOH"	152.95602
"807439"	121.0891	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M"	0
"985346"	102.07071	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-H2O-H"	-19.01839
"73590"	79.7187906666667	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M-3H"	-3.021828
"514973"	120.081824	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M-3H"	-3.021828
"893505"	39.3557573333333	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-3H"	-3.021828
"1509"	120.081824	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M-2H"	-2.014552
"454561"	180.626374	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M-2H"	-2.014552
"824709"	59.537274	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-2H"	-2.014552
"90171"	241.170924	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M-H"	-1.007276
"528637"	362.260024	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M-H"	-1.007276
"907532"	120.081824	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-H"	-1.007276
"56439"	258.197471	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M-2H+NH4"	16.019271
"489558"	379.286571	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M-2H+NH4"	16.019271
"867360"	137.108371	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-2H+NH4"	16.019271
"39515"	263.152866	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M-2H+Na"	20.974666
"479076"	384.241966	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M-2H+Na"	20.974666
"853597"	142.063766	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-2H+Na"	20.974666
"1624222"	142.063766	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Na-2H"	20.974666
"99659"	138.070163	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M-H+Cl"	33.962126
"542500"	198.614713	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M-H+Cl"	33.962126
"933828"	77.525613	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-H+Cl"	33.962126
"280892"	277.147602	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+Cl"	34.969402
"674906"	398.236702	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+Cl"	34.969402
"1284871"	156.058502	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Cl"	34.969402
"25242"	279.126806	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M-2H+K"	36.948606
"459336"	400.215906	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M-2H+K"	36.948606
"843698"	158.037706	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-2H+K"	36.948606
"1557345"	158.037706	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+K-2H"	36.948606
"951789"	166.087294	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-H+HCOOH"	44.998194
"370007"	287.176401	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+HCOOH-H"	44.998201
"354984"	301.192051	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+Hac-H"	59.013851
"1499442"	180.102951	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Hac-H"	59.013851
"968807"	188.069251	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-H+NaCOOH"	66.980151
"111638"	156.058502	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+2Cl"	69.938804
"552171"	216.603052	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+2Cl"	69.938804
"1022429"	95.513952	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2Cl"	69.938804
"1244195"	200.007985	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Br"	78.918885
"1305183"	202.063972	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Cl+HCOOH"	80.974872
"1323777"	224.045929	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Cl+NaCOOH"	102.956829
"918116"	234.074686	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M-H+CF3COOH"	112.985586
"1288992"	270.051364	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Cl+CF3COOH"	148.962264
"1371892"	86.076424	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H-2H2O"	-35.012676
"1385379"	104.0864	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H-H2O"	-17.0027
"291260"	243.185476	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+H"	1.007276
"683682"	364.274576	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+H"	1.007276
"1357845"	122.096376	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H"	1.007276
"128549"	122.096376	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+2H"	2.014552
"567018"	182.640926	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+2H"	2.014552
"1039458"	61.551826	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2H"	2.014552
"206629"	81.7333426666667	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+3H"	3.021828
"645463"	122.096376	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+3H"	3.021828
"1165048"	41.3703093333333	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+3H"	3.021828
"431239"	260.212023	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+NH4"	18.033823
"792600"	381.301123	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+NH4"	18.033823
"1687472"	139.122923	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+NH4"	18.033823
"336846"	130.6096495	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+H+NH4"	19.041099
"724891"	191.1541995	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+H+NH4"	19.041099
"1485272"	70.0650995	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H+NH4"	19.041099
"402857"	265.167418	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+Na"	22.989218
"768955"	386.256518	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+Na"	22.989218
"1611950"	144.078318	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Na"	22.989218
"316521"	133.087347	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+H+Na"	23.996494
"708578"	193.631897	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+H+Na"	23.996494
"1464585"	72.542797	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H+Na"	23.996494
"1054550"	48.6976233333333	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2H+Na"	25.00377
"1259144"	154.122586	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+CH3OH+H"	33.033486
"377351"	281.141358	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+K"	38.963158
"739808"	402.230458	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+K"	38.963158
"1541498"	160.052258	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+K"	38.963158
"300861"	141.074317	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+H+K"	39.970434
"694379"	201.618867	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+H+K"	39.970434
"1450387"	80.529767	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H+K"	39.970434
"238988"	284.212026	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+ACN+H"	42.033826
"1212061"	163.122926	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+ACN+H"	42.033826
"1195095"	82.065101	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+ACN+2H"	43.041102
"192830"	287.14936	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+2Na-H"	44.97116
"633848"	408.23846	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+2Na-H"	44.97116
"1132127"	166.06026	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2Na-H"	44.97116
"176635"	144.078318	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+2Na"	45.978436
"613757"	204.622868	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+2Na"	45.978436
"1116536"	83.533768	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2Na"	45.978436
"1399941"	56.0249373333333	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H+2Na"	46.985712
"1434615"	168.101846	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H+HCOOH"	47.012746
"229784"	149.11134	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+3H2O+2H"	56.04448
"1518939"	182.15389	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+IsoProp+H"	61.06479
"409876"	152.065288	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+Na+K"	61.952376
"771965"	212.609838	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+Na+K"	61.952376
"1667202"	91.520738	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Na+K"	61.952376
"253722"	306.193968	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+ACN+Na"	64.015768
"1228617"	185.104868	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+ACN+Na"	64.015768
"1715316"	185.128393	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+NH4+HCOOH"	64.039293
"1182859"	63.3522513333333	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+3Na"	68.967654
"1651658"	190.083788	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Na+HCOOH"	68.994688
"158521"	319.09724	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+2K-H"	76.91904
"599175"	440.18634	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+2K-H"	76.91904
"1086969"	198.00814	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2K-H"	76.91904
"141957"	160.052258	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"2M+2K"	77.926316
"582986"	220.596808	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"3M+2K"	77.926316
"1074426"	99.507708	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2K"	77.926316
"1102531"	200.022692	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2K+H"	78.933592
"1339647"	200.110307	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+DMSO+H"	79.021207
"1011458"	204.149476	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2ACN+H"	83.060376
"1533957"	205.143108	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+IsoProp+Na+H"	84.054008
"1001864"	102.578376	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+2ACN+2H"	84.067652
"1587984"	206.057728	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+K+HCOOH"	84.968628
"1414372"	236.089238	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+H+CF3COOH"	115.000138
"1149766"	123.091651	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+3ACN+2H"	125.094202
"1701505"	253.115785	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+NH4+CF3COOH"	132.026685
"1640436"	258.07118	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+Na+CF3COOH"	136.98208
"1577185"	274.04512	"C11004"	"26-Dimethylaniline;26-DMA;26-Xylidine"	"C8H11N"	"121.0891"	"M+K+CF3COOH"	152.95602
"807549"	206.1419	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M"	0
"985456"	187.12351	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-H2O-H"	-19.01839
"73700"	136.420657333333	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M-3H"	-3.021828
"515447"	205.134624	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M-3H"	-3.021828
"891792"	67.7066906666667	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-3H"	-3.021828
"1254"	205.134624	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M-2H"	-2.014552
"449198"	308.205574	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M-2H"	-2.014552
"831382"	102.063674	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-2H"	-2.014552
"86998"	411.276524	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M-H"	-1.007276
"527653"	617.418424	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M-H"	-1.007276
"908737"	205.134624	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-H"	-1.007276
"60682"	428.303071	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M-2H+NH4"	16.019271
"489548"	634.444971	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M-2H+NH4"	16.019271
"870629"	222.161171	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-2H+NH4"	16.019271
"32212"	433.258466	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M-2H+Na"	20.974666
"479186"	639.400366	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M-2H+Na"	20.974666
"852613"	227.116566	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-2H+Na"	20.974666
"1624332"	227.116566	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Na-2H"	20.974666
"96487"	223.122963	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M-H+Cl"	33.962126
"540423"	326.193913	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M-H+Cl"	33.962126
"932842"	120.052013	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-H+Cl"	33.962126
"280878"	447.253202	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+Cl"	34.969402
"675379"	653.395102	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+Cl"	34.969402
"1286074"	241.111302	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Cl"	34.969402
"27539"	449.232406	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M-2H+K"	36.948606
"459446"	655.374306	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M-2H+K"	36.948606
"840528"	243.090506	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-2H+K"	36.948606
"1557819"	243.090506	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+K-2H"	36.948606
"950806"	251.140094	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-H+HCOOH"	44.998194
"366835"	457.282001	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+HCOOH-H"	44.998201
"351813"	471.297651	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+Hac-H"	59.013851
"1496271"	265.155751	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Hac-H"	59.013851
"964906"	273.122051	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-H+NaCOOH"	66.980151
"112719"	241.111302	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+2Cl"	69.938804
"550578"	344.182252	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+2Cl"	69.938804
"1027641"	138.040352	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2Cl"	69.938804
"1242846"	285.060785	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Br"	78.918885
"1304560"	287.116772	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Cl+HCOOH"	80.974872
"1323887"	309.098729	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Cl+NaCOOH"	102.956829
"918226"	319.127486	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M-H+CF3COOH"	112.985586
"1288654"	355.104164	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Cl+CF3COOH"	148.962264
"1367992"	171.129224	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H-2H2O"	-35.012676
"1385125"	189.1392	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H-H2O"	-17.0027
"292463"	413.291076	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+H"	1.007276
"684885"	619.432976	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+H"	1.007276
"1355768"	207.149176	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H"	1.007276
"129752"	207.149176	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+2H"	2.014552
"567126"	310.220126	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+2H"	2.014552
"1038475"	104.078226	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2H"	2.014552
"206009"	138.435209333333	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+3H"	3.021828
"644961"	207.149176	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+3H"	3.021828
"1164794"	69.7212426666667	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+3H"	3.021828
"430620"	430.317623	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+NH4"	18.033823
"791616"	636.459523	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+NH4"	18.033823
"1688675"	224.175723	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+NH4"	18.033823
"334769"	215.6624495	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+H+NH4"	19.041099
"727188"	318.7333995	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+H+NH4"	19.041099
"1485382"	112.5914995	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H+NH4"	19.041099
"402967"	435.273018	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+Na"	22.989218
"767242"	641.414918	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+Na"	22.989218
"1609873"	229.131118	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Na"	22.989218
"319911"	218.140147	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+H+Na"	23.996494
"711603"	321.211097	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+H+Na"	23.996494
"1464331"	115.069197	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H+Na"	23.996494
"1057212"	77.0485566666667	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2H+Na"	25.00377
"1261077"	239.175386	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+CH3OH+H"	33.033486
"377948"	451.246958	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+K"	38.963158
"738865"	657.388858	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+K"	38.963158
"1542701"	245.105058	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+K"	38.963158
"300971"	226.127117	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+H+K"	39.970434
"693152"	329.198067	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+H+K"	39.970434
"1446609"	123.056167	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H+K"	39.970434
"236183"	454.317626	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+ACN+H"	42.033826
"1210713"	248.175726	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+ACN+H"	42.033826
"1196179"	124.591501	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+ACN+2H"	43.041102
"192940"	457.25496	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+2Na-H"	44.97116
"633594"	663.39686	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+2Na-H"	44.97116
"1133941"	251.11306	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2Na-H"	44.97116
"176745"	229.131118	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+2Na"	45.978436
"617762"	332.202068	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+2Na"	45.978436
"1117012"	126.060168	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2Na"	45.978436
"1400780"	84.3758706666667	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H+2Na"	46.985712
"1430954"	253.154646	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H+HCOOH"	47.012746
"223689"	234.16414	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+3H2O+2H"	56.04448
"1513578"	267.20669	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+IsoProp+H"	61.06479
"412173"	237.118088	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+Na+K"	61.952376
"770735"	340.189038	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+Na+K"	61.952376
"1666823"	134.047138	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Na+K"	61.952376
"252127"	476.299568	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+ACN+Na"	64.015768
"1232009"	270.157668	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+ACN+Na"	64.015768
"1714454"	270.181193	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+NH4+HCOOH"	64.039293
"1180173"	91.7031846666667	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+3Na"	68.967654
"1652861"	275.136588	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Na+HCOOH"	68.994688
"161910"	489.20284	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+2K-H"	76.91904
"599649"	695.34474	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+2K-H"	76.91904
"1085496"	283.06094	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2K-H"	76.91904
"142799"	245.105058	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"2M+2K"	77.926316
"582974"	348.176008	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"3M+2K"	77.926316
"1076723"	142.034108	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2K"	77.926316
"1103370"	285.075492	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2K+H"	78.933592
"1339757"	285.163107	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+DMSO+H"	79.021207
"1008288"	289.202276	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2ACN+H"	83.060376
"1530787"	290.195908	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+IsoProp+Na+H"	84.054008
"997235"	145.104776	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+2ACN+2H"	84.067652
"1587483"	291.110528	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+K+HCOOH"	84.968628
"1414602"	321.142038	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+H+CF3COOH"	115.000138
"1149876"	165.618051	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+3ACN+2H"	125.094202
"1701615"	338.168585	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+NH4+CF3COOH"	132.026685
"1639453"	343.12398	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+Na+CF3COOH"	136.98208
"1577295"	359.09792	"C11005"	"Isoproturon"	"C12H18N2O"	"206.1419"	"M+K+CF3COOH"	152.95602
"807659"	182.0328	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M"	0
"985566"	163.01441	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-H2O-H"	-19.01839
"76727"	120.347924	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M-3H"	-3.021828
"516287"	181.025524	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M-3H"	-3.021828
"893360"	59.670324	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-3H"	-3.021828
"8655"	181.025524	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H"	-2.014552
"451495"	272.041924	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H"	-2.014552
"831123"	90.009124	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-2H"	-2.014552
"93668"	363.058324	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M-H"	-1.007276
"532499"	545.091124	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M-H"	-1.007276
"902283"	181.025524	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-H"	-1.007276
"60791"	380.084871	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H+NH4"	16.019271
"492938"	562.117671	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H+NH4"	16.019271
"872926"	198.052071	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-2H+NH4"	16.019271
"33050"	385.040266	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H+Na"	20.974666
"479296"	567.073066	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H+Na"	20.974666
"852723"	203.007466	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-2H+Na"	20.974666
"1625535"	203.007466	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Na-2H"	20.974666
"98783"	199.013863	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M-H+Cl"	33.962126
"540533"	290.030263	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M-H+Cl"	33.962126
"935138"	107.997463	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-H+Cl"	33.962126
"280989"	399.035002	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+Cl"	34.969402
"675653"	581.067802	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+Cl"	34.969402
"1287279"	217.002202	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl"	34.969402
"30930"	401.014206	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H+K"	36.948606
"466116"	583.047006	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H+K"	36.948606
"842825"	218.981406	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-2H+K"	36.948606
"1558658"	218.981406	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+K-2H"	36.948606
"954196"	227.030994	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-H+HCOOH"	44.998194
"369131"	409.063801	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+HCOOH-H"	44.998201
"353016"	423.079451	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+Hac-H"	59.013851
"1496381"	241.046651	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Hac-H"	59.013851
"966109"	249.012951	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-H+NaCOOH"	66.980151
"120484"	217.002202	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+2Cl"	69.938804
"556764"	308.018602	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+2Cl"	69.938804
"1028843"	125.985802	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2Cl"	69.938804
"1242225"	260.951685	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Br"	78.918885
"1304672"	263.007672	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl+HCOOH"	80.974872
"1326184"	284.989629	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl+NaCOOH"	102.956829
"918336"	295.018386	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M-H+CF3COOH"	112.985586
"1290669"	330.995064	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl+CF3COOH"	148.962264
"1375392"	147.020124	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H-2H2O"	-35.012676
"1385235"	165.0301	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H-H2O"	-17.0027
"289293"	365.072876	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+H"	1.007276
"684995"	547.105676	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+H"	1.007276
"1355878"	183.040076	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H"	1.007276
"129133"	183.040076	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+2H"	2.014552
"568330"	274.056476	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+2H"	2.014552
"1039436"	92.023676	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2H"	2.014552
"208308"	122.362476	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+3H"	3.021828
"646046"	183.040076	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+3H"	3.021828
"1165996"	61.684876	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+3H"	3.021828
"430001"	382.099423	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+NH4"	18.033823
"793549"	564.132223	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+NH4"	18.033823
"1686599"	200.066623	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+NH4"	18.033823
"338159"	191.5533495	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+H+NH4"	19.041099
"726204"	282.5697495	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+H+NH4"	19.041099
"1487679"	100.5369495	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H+NH4"	19.041099
"400890"	387.054818	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+Na"	22.989218
"764072"	569.087618	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+Na"	22.989218
"1607797"	205.022018	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Na"	22.989218
"320022"	194.031047	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+H+Na"	23.996494
"713535"	285.047447	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+H+Na"	23.996494
"1463348"	103.014647	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H+Na"	23.996494
"1054771"	69.01219	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2H+Na"	25.00377
"1259362"	215.066286	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+CH3OH+H"	33.033486
"378422"	403.028758	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+K"	38.963158
"739137"	585.061558	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+K"	38.963158
"1541351"	220.995958	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+K"	38.963158
"300351"	202.018017	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+H+K"	39.970434
"692777"	293.034417	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+H+K"	39.970434
"1448055"	111.001617	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H+K"	39.970434
"235924"	406.099426	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+ACN+H"	42.033826
"1211914"	224.066626	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+ACN+H"	42.033826
"1195440"	112.536951	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+ACN+2H"	43.041102
"195237"	409.03676	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+2Na-H"	44.97116
"633704"	591.06956	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+2Na-H"	44.97116
"1136480"	227.00396	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2Na-H"	44.97116
"176488"	205.022018	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+2Na"	45.978436
"613495"	296.038418	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+2Na"	45.978436
"1122106"	114.005618	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2Na"	45.978436
"1401254"	76.339504	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H+2Na"	46.985712
"1431914"	229.045546	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H+HCOOH"	47.012746
"220637"	210.05504	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+3H2O+2H"	56.04448
"1519521"	243.09759	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+IsoProp+H"	61.06479
"411556"	213.008988	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+Na+K"	61.952376
"771212"	304.025388	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+Na+K"	61.952376
"1667420"	121.992588	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Na+K"	61.952376
"252601"	428.081368	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+ACN+Na"	64.015768
"1234306"	246.048568	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+ACN+Na"	64.015768
"1717723"	246.072093	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+NH4+HCOOH"	64.039293
"1183079"	83.666818	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+3Na"	68.967654
"1653336"	251.027488	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Na+HCOOH"	68.994688
"160200"	440.98464	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+2K-H"	76.91904
"604864"	623.01744	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+2K-H"	76.91904
"1088647"	258.95184	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2K-H"	76.91904
"144007"	220.995958	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"2M+2K"	77.926316
"584665"	312.012358	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"3M+2K"	77.926316
"1076833"	129.979558	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2K"	77.926316
"1103480"	260.966392	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2K+H"	78.933592
"1340960"	261.054007	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+DMSO+H"	79.021207
"1009491"	265.093176	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2ACN+H"	83.060376
"1531990"	266.086808	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+IsoProp+Na+H"	84.054008
"995158"	133.050226	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+2ACN+2H"	84.067652
"1588083"	267.001428	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+K+HCOOH"	84.968628
"1416416"	297.032938	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+H+CF3COOH"	115.000138
"1152173"	153.563501	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+3ACN+2H"	125.094202
"1701725"	314.059485	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+NH4+CF3COOH"	132.026685
"1637376"	319.01488	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+Na+CF3COOH"	136.98208
"1577405"	334.98882	"C11006"	"24-Dinitrotoluene;24-DNT"	"C7H6N2O4"	"182.0328"	"M+K+CF3COOH"	152.95602
"814331"	248.0119	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M"	0
"988472"	228.99351	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-H2O-H"	-19.01839
"70640"	164.333990666667	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M-3H"	-3.021828
"512388"	247.004624	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M-3H"	-3.021828
"890191"	81.6633573333333	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-3H"	-3.021828
"5486"	247.004624	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M-2H"	-2.014552
"443952"	371.010574	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M-2H"	-2.014552
"831233"	122.998674	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-2H"	-2.014552
"90497"	495.016524	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M-H"	-1.007276
"527871"	743.028424	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M-H"	-1.007276
"899476"	247.004624	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-H"	-1.007276
"60779"	512.043071	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M-2H+NH4"	16.019271
"489768"	760.054971	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M-2H+NH4"	16.019271
"866476"	264.031171	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-2H+NH4"	16.019271
"32675"	516.998466	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M-2H+Na"	20.974666
"482686"	765.010366	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M-2H+Na"	20.974666
"852833"	268.986566	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-2H+Na"	20.974666
"1626739"	268.986566	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Na-2H"	20.974666
"97800"	264.992963	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M-H+Cl"	33.962126
"540641"	388.998913	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M-H+Cl"	33.962126
"933062"	140.987013	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-H+Cl"	33.962126
"274901"	530.993202	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+Cl"	34.969402
"671704"	779.005102	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+Cl"	34.969402
"1285202"	282.981302	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Cl"	34.969402
"29946"	532.972406	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M-2H+K"	36.948606
"466226"	780.984306	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M-2H+K"	36.948606
"842935"	284.960506	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-2H+K"	36.948606
"1562048"	284.960506	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+K-2H"	36.948606
"953213"	293.010094	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-H+HCOOH"	44.998194
"368148"	541.022001	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+HCOOH-H"	44.998201
"356406"	555.037651	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+Hac-H"	59.013851
"1499771"	307.025751	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Hac-H"	59.013851
"967313"	314.992051	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-H+NaCOOH"	66.980151
"120594"	282.981302	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+2Cl"	69.938804
"556875"	406.987252	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+2Cl"	69.938804
"1034421"	158.975352	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2Cl"	69.938804
"1242337"	326.930785	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Br"	78.918885
"1304904"	328.986772	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Cl+HCOOH"	80.974872
"1326294"	350.968729	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Cl+NaCOOH"	102.956829
"918446"	360.997486	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M-H+CF3COOH"	112.985586
"1289322"	396.974164	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Cl+CF3COOH"	148.962264
"1375502"	212.999224	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H-2H2O"	-35.012676
"1385345"	231.0092	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H-H2O"	-17.0027
"289403"	497.031076	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+H"	1.007276
"684012"	745.042976	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+H"	1.007276
"1352708"	249.019176	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H"	1.007276
"128879"	249.019176	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+2H"	2.014552
"571719"	373.025126	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+2H"	2.014552
"1039058"	125.013226	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2H"	2.014552
"205989"	166.348542666667	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+3H"	3.021828
"645427"	249.019176	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+3H"	3.021828
"1163917"	83.6779093333333	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+3H"	3.021828
"425006"	514.057623	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+NH4"	18.033823
"789648"	762.069523	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+NH4"	18.033823
"1685616"	266.045723	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+NH4"	18.033823
"336082"	257.5324495	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+H+NH4"	19.041099
"728502"	381.5383995	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+H+NH4"	19.041099
"1486695"	133.5264995	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H+NH4"	19.041099
"401000"	519.013018	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+Na"	22.989218
"764182"	767.024918	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+Na"	22.989218
"1610094"	271.001118	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Na"	22.989218
"317945"	260.010147	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+H+Na"	23.996494
"714741"	384.016097	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+H+Na"	23.996494
"1462482"	136.004197	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H+Na"	23.996494
"1055247"	91.0052233333333	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2H+Na"	25.00377
"1258380"	281.045386	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+CH3OH+H"	33.033486
"377928"	534.986958	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+K"	38.963158
"739324"	782.998858	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+K"	38.963158
"1541827"	286.975058	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+K"	38.963158
"300097"	267.997117	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+H+K"	39.970434
"692519"	392.003067	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+H+K"	39.970434
"1446709"	143.991167	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H+K"	39.970434
"236886"	538.057626	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+ACN+H"	42.033826
"1212029"	290.045726	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+ACN+H"	42.033826
"1204663"	145.526501	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+ACN+2H"	43.041102
"194254"	540.99496	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+2Na-H"	44.97116
"631626"	789.00686	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+2Na-H"	44.97116
"1134038"	292.98306	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2Na-H"	44.97116
"176600"	271.001118	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+2Na"	45.978436
"616160"	395.007068	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+2Na"	45.978436
"1117841"	146.995168	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2Na"	45.978436
"1400272"	98.3325373333333	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H+2Na"	46.985712
"1431661"	295.024646	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H+HCOOH"	47.012746
"222452"	276.03414	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+3H2O+2H"	56.04448
"1512704"	309.07669	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+IsoProp+H"	61.06479
"415673"	278.988088	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+Na+K"	61.952376
"776668"	402.994038	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+Na+K"	61.952376
"1668628"	154.982138	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Na+K"	61.952376
"252961"	560.039568	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+ACN+Na"	64.015768
"1228222"	312.027668	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+ACN+Na"	64.015768
"1715649"	312.051193	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+NH4+HCOOH"	64.039293
"1181369"	105.659851333333	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+3Na"	68.967654
"1652352"	317.006588	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Na+HCOOH"	68.994688
"159946"	572.94284	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+2K-H"	76.91904
"603881"	820.95474	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+2K-H"	76.91904
"1092766"	324.93094	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2K-H"	76.91904
"150676"	286.975058	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"2M+2K"	77.926316
"581969"	410.981008	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"3M+2K"	77.926316
"1072568"	162.969108	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2K"	77.926316
"1102498"	326.945492	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2K+H"	78.933592
"1343259"	327.033107	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+DMSO+H"	79.021207
"1010694"	331.072276	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2ACN+H"	83.060376
"1531008"	332.065908	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+IsoProp+Na+H"	84.054008
"1000737"	166.039776	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+2ACN+2H"	84.067652
"1590869"	332.980528	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+K+HCOOH"	84.968628
"1415434"	363.012038	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+H+CF3COOH"	115.000138
"1153378"	186.553051	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+3ACN+2H"	125.094202
"1699648"	380.038585	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+NH4+CF3COOH"	132.026685
"1636393"	384.99398	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+Na+CF3COOH"	136.98208
"1577515"	400.96792	"C11007"	"Linuron"	"C9H10Cl2N2O2"	"248.0119"	"M+K+CF3COOH"	152.95602
"807879"	182.0328	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M"	0
"985786"	163.01441	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-H2O-H"	-19.01839
"71843"	120.347924	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M-3H"	-3.021828
"516385"	181.025524	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M-3H"	-3.021828
"890299"	59.670324	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-3H"	-3.021828
"6688"	181.025524	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H"	-2.014552
"446248"	272.041924	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H"	-2.014552
"832077"	90.009124	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-2H"	-2.014552
"90607"	363.058324	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M-H"	-1.007276
"530168"	545.091124	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M-H"	-1.007276
"904689"	181.025524	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-H"	-1.007276
"59918"	380.084871	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H+NH4"	16.019271
"494249"	562.117671	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H+NH4"	16.019271
"873509"	198.052071	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-2H+NH4"	16.019271
"37765"	385.040266	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H+Na"	20.974666
"480609"	567.073066	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H+Na"	20.974666
"856222"	203.007466	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-2H+Na"	20.974666
"1629034"	203.007466	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Na-2H"	20.974666
"103375"	199.013863	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M-H+Cl"	33.962126
"542937"	290.030263	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M-H+Cl"	33.962126
"936085"	107.997463	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-H+Cl"	33.962126
"276103"	399.035002	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+Cl"	34.969402
"670720"	581.067802	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+Cl"	34.969402
"1284218"	217.002202	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl"	34.969402
"30056"	401.014206	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M-2H+K"	36.948606
"463056"	583.047006	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M-2H+K"	36.948606
"843045"	218.981406	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-2H+K"	36.948606
"1561065"	218.981406	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+K-2H"	36.948606
"948949"	227.030994	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-H+HCOOH"	44.998194
"364977"	409.063801	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+HCOOH-H"	44.998201
"352142"	423.079451	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+Hac-H"	59.013851
"1500974"	241.046651	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Hac-H"	59.013851
"967422"	249.012951	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-H+NaCOOH"	66.980151
"118517"	217.002202	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+2Cl"	69.938804
"556985"	308.018602	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+2Cl"	69.938804
"1033438"	125.985802	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2Cl"	69.938804
"1242082"	260.951685	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Br"	78.918885
"1305619"	263.007672	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl+HCOOH"	80.974872
"1325311"	284.989629	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl+NaCOOH"	102.956829
"918556"	295.018386	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M-H+CF3COOH"	112.985586
"1290890"	330.995064	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Cl+CF3COOH"	148.962264
"1375612"	147.020124	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H-2H2O"	-35.012676
"1384361"	165.0301	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H-H2O"	-17.0027
"289513"	365.072876	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+H"	1.007276
"683028"	547.105676	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+H"	1.007276
"1353911"	183.040076	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H"	1.007276
"132268"	183.040076	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+2H"	2.014552
"575109"	274.056476	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+2H"	2.014552
"1038074"	92.023676	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2H"	2.014552
"206341"	122.362476	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+3H"	3.021828
"645900"	183.040076	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+3H"	3.021828
"1164391"	61.684876	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+3H"	3.021828
"425481"	382.099423	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+NH4"	18.033823
"790486"	564.132223	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+NH4"	18.033823
"1689005"	200.066623	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+NH4"	18.033823
"337284"	191.5533495	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+H+NH4"	19.041099
"729704"	282.5697495	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+H+NH4"	19.041099
"1485710"	100.5369495	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H+NH4"	19.041099
"401110"	387.054818	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+Na"	22.989218
"763198"	569.087618	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+Na"	22.989218
"1608017"	205.022018	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Na"	22.989218
"319149"	194.031047	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+H+Na"	23.996494
"712664"	285.047447	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+H+Na"	23.996494
"1463202"	103.014647	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H+Na"	23.996494
"1057544"	69.01219	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2H+Na"	25.00377
"1258002"	215.066286	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+CH3OH+H"	33.033486
"378889"	403.028758	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+K"	38.963158
"739274"	585.061558	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+K"	38.963158
"1543030"	220.995958	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+K"	38.963158
"299356"	202.018017	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+H+K"	39.970434
"693722"	293.034417	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+H+K"	39.970434
"1447912"	111.001617	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H+K"	39.970434
"241613"	406.099426	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+ACN+H"	42.033826
"1210681"	224.066626	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+ACN+H"	42.033826
"1196389"	112.536951	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+ACN+2H"	43.041102
"192177"	409.03676	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+2Na-H"	44.97116
"636112"	591.06956	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+2Na-H"	44.97116
"1138526"	227.00396	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2Na-H"	44.97116
"175251"	205.022018	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+2Na"	45.978436
"617001"	296.038418	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+2Na"	45.978436
"1120138"	114.005618	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2Na"	45.978436
"1401476"	76.339504	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H+2Na"	46.985712
"1431769"	229.045546	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H+HCOOH"	47.012746
"222560"	210.05504	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+3H2O+2H"	56.04448
"1512814"	243.09759	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+IsoProp+H"	61.06479
"417969"	213.008988	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+Na+K"	61.952376
"783338"	304.025388	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+Na+K"	61.952376
"1668370"	121.992588	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Na+K"	61.952376
"253796"	428.081368	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+ACN+Na"	64.015768
"1231245"	246.048568	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+ACN+Na"	64.015768
"1716125"	246.072093	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+NH4+HCOOH"	64.039293
"1181479"	83.666818	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+3Na"	68.967654
"1652097"	251.027488	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Na+HCOOH"	68.994688
"162241"	440.98464	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+2K-H"	76.91904
"602897"	623.01744	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+2K-H"	76.91904
"1090689"	258.95184	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2K-H"	76.91904
"148599"	220.995958	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"2M+2K"	77.926316
"582688"	312.012358	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"3M+2K"	77.926316
"1070491"	129.979558	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2K"	77.926316
"1105889"	260.966392	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2K+H"	78.933592
"1343005"	261.054007	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+DMSO+H"	79.021207
"1010804"	265.093176	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2ACN+H"	83.060376
"1531847"	266.086808	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+IsoProp+Na+H"	84.054008
"1000483"	133.050226	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+2ACN+2H"	84.067652
"1593166"	267.001428	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+K+HCOOH"	84.968628
"1416274"	297.032938	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+H+CF3COOH"	115.000138
"1153488"	153.563501	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+3ACN+2H"	125.094202
"1698665"	314.059485	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+NH4+CF3COOH"	132.026685
"1636503"	319.01488	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+Na+CF3COOH"	136.98208
"1577625"	334.98882	"C11008"	"26-Dinitrotoluene;26-DNT"	"C7H6N2O4"	"182.0328"	"M+K+CF3COOH"	152.95602
"807989"	291.9614	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M"	0
"985896"	272.94301	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-H2O-H"	-19.01839
"73047"	193.633657333333	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M-3H"	-3.021828
"514794"	290.954124	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M-3H"	-3.021828
"893690"	96.3131906666667	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-3H"	-3.021828
"4612"	290.954124	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M-2H"	-2.014552
"447451"	436.934824	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M-2H"	-2.014552
"831940"	144.973424	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-2H"	-2.014552
"93392"	582.915524	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M-H"	-1.007276
"531371"	874.876924	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M-H"	-1.007276
"904799"	290.954124	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-H"	-1.007276
"58083"	599.942071	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M-2H+NH4"	16.019271
"493269"	891.903471	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M-2H+NH4"	16.019271
"873253"	307.980671	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-2H+NH4"	16.019271
"40062"	604.897466	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M-2H+Na"	20.974666
"478530"	896.858866	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M-2H+Na"	20.974666
"856331"	312.936066	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-2H+Na"	20.974666
"1629144"	312.936066	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Na-2H"	20.974666
"100205"	308.942463	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M-H+Cl"	33.962126
"543047"	454.923163	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M-H+Cl"	33.962126
"935466"	162.961763	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-H+Cl"	33.962126
"274023"	618.892202	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+Cl"	34.969402
"671921"	910.853602	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+Cl"	34.969402
"1281047"	326.930802	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Cl"	34.969402
"26885"	620.871406	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M-2H+K"	36.948606
"465351"	912.832806	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M-2H+K"	36.948606
"840967"	328.910006	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-2H+K"	36.948606
"1565550"	328.910006	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+K-2H"	36.948606
"951246"	336.959594	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-H+HCOOH"	44.998194
"371648"	628.921001	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+HCOOH-H"	44.998201
"353345"	642.936651	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+Hac-H"	59.013851
"1501083"	350.975251	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Hac-H"	59.013851
"966440"	358.941551	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-H+NaCOOH"	66.980151
"115347"	326.930802	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+2Cl"	69.938804
"557094"	472.911502	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+2Cl"	69.938804
"1032454"	180.950102	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2Cl"	69.938804
"1242556"	370.880285	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Br"	78.918885
"1307924"	372.936272	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Cl+HCOOH"	80.974872
"1326514"	394.918229	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Cl+NaCOOH"	102.956829
"917573"	404.946986	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M-H+CF3COOH"	112.985586
"1290269"	440.923664	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Cl+CF3COOH"	148.962264
"1373535"	256.948724	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H-2H2O"	-35.012676
"1384471"	274.9587	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H-H2O"	-17.0027
"289623"	584.930076	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+H"	1.007276
"679858"	876.891476	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+H"	1.007276
"1354021"	292.968676	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H"	1.007276
"132378"	292.968676	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+2H"	2.014552
"574125"	438.949376	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+2H"	2.014552
"1037819"	146.987976	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2H"	2.014552
"206448"	195.648209333333	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+3H"	3.021828
"645278"	292.968676	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+3H"	3.021828
"1163284"	98.3277426666667	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+3H"	3.021828
"426682"	601.956623	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+NH4"	18.033823
"788772"	893.918023	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+NH4"	18.033823
"1685104"	309.995223	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+NH4"	18.033823
"331924"	301.4819495	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+H+NH4"	19.041099
"725801"	447.4626495	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+H+NH4"	19.041099
"1481810"	155.5012495	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H+NH4"	19.041099
"397939"	606.912018	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+Na"	22.989218
"757108"	898.873418	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+Na"	22.989218
"1605572"	314.950618	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Na"	22.989218
"316340"	303.959647	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+H+Na"	23.996494
"709492"	449.940347	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+H+Na"	23.996494
"1462948"	157.978947	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H+Na"	23.996494
"1053522"	105.655056666667	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2H+Na"	25.00377
"1257503"	324.994886	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+CH3OH+H"	33.033486
"377579"	622.885958	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+K"	38.963158
"738977"	914.847358	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+K"	38.963158
"1540953"	330.924558	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+K"	38.963158
"299098"	311.946617	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+H+K"	39.970434
"692010"	457.927317	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+H+K"	39.970434
"1448751"	165.965917	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H+K"	39.970434
"238808"	625.956626	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+ACN+H"	42.033826
"1213705"	333.995226	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+ACN+H"	42.033826
"1197956"	167.501251	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+ACN+2H"	43.041102
"192651"	628.89396	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+2Na-H"	44.97116
"631844"	920.85536	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+2Na-H"	44.97116
"1133898"	336.93256	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2Na-H"	44.97116
"177913"	314.950618	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+2Na"	45.978436
"620391"	460.931318	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+2Na"	45.978436
"1117697"	168.969918	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2Na"	45.978436
"1400128"	112.982370666667	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H+2Na"	46.985712
"1431515"	338.974146	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H+HCOOH"	47.012746
"225953"	319.98364	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+3H2O+2H"	56.04448
"1515110"	353.02619	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+IsoProp+H"	61.06479
"418079"	322.937588	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+Na+K"	61.952376
"777982"	468.918288	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+Na+K"	61.952376
"1668845"	176.956888	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Na+K"	61.952376
"253905"	647.938568	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+ACN+Na"	64.015768
"1231355"	355.977168	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+ACN+Na"	64.015768
"1715869"	356.000693	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+NH4+HCOOH"	64.039293
"1183411"	120.309684666667	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+3Na"	68.967654
"1655490"	360.956088	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Na+HCOOH"	68.994688
"162352"	660.84184	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+2K-H"	76.91904
"604099"	952.80324	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+2K-H"	76.91904
"1092987"	368.88044	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2K-H"	76.91904
"148709"	330.924558	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"2M+2K"	77.926316
"582193"	476.905258	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"3M+2K"	77.926316
"1073881"	184.943858	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2K"	77.926316
"1105999"	370.894992	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2K+H"	78.933592
"1343844"	370.982607	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+DMSO+H"	79.021207
"1010914"	375.021776	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2ACN+H"	83.060376
"1532321"	376.015408	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+IsoProp+Na+H"	84.054008
"1002416"	188.014526	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+2ACN+2H"	84.067652
"1594369"	376.930028	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+K+HCOOH"	84.968628
"1415532"	406.961538	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+H+CF3COOH"	115.000138
"1151410"	208.527801	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+3ACN+2H"	125.094202
"1697314"	423.988085	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+NH4+CF3COOH"	132.026685
"1636613"	428.94348	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+Na+CF3COOH"	136.98208
"1577735"	444.91742	"C11009"	"Chlorbromuron"	"C9H10BrClN2O2"	"291.9614"	"M+K+CF3COOH"	152.95602
"808099"	111.0484	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M"	0
"987099"	92.03001	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H2O-H"	-19.01839
"77530"	73.0249906666667	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-3H"	-3.021828
"517457"	110.041124	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-3H"	-3.021828
"889427"	36.0088573333333	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-3H"	-3.021828
"9097"	110.041124	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H"	-2.014552
"454855"	165.565324	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H"	-2.014552
"830470"	54.516924	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H"	-2.014552
"92893"	221.089524	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-H"	-1.007276
"531481"	332.137924	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-H"	-1.007276
"901629"	110.041124	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H"	-1.007276
"57099"	238.116071	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+NH4"	16.019271
"493377"	349.164471	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+NH4"	16.019271
"871178"	127.067671	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+NH4"	16.019271
"37985"	243.071466	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+Na"	20.974666
"477547"	354.119866	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+Na"	20.974666
"857535"	132.023066	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+Na"	20.974666
"1627068"	132.023066	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na-2H"	20.974666
"99221"	128.029463	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-H+Cl"	33.962126
"545343"	183.553663	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-H+Cl"	33.962126
"931931"	72.505263	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+Cl"	33.962126
"272312"	257.066202	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Cl"	34.969402
"674828"	368.114602	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Cl"	34.969402
"1285530"	146.017802	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl"	34.969402
"22622"	259.045406	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+K"	36.948606
"463276"	370.093806	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+K"	36.948606
"837797"	147.997006	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+K"	36.948606
"1563473"	147.997006	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K-2H"	36.948606
"954634"	156.046594	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+HCOOH"	44.998194
"366291"	267.095001	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+HCOOH-H"	44.998201
"352362"	281.110651	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Hac-H"	59.013851
"1497914"	170.062251	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Hac-H"	59.013851
"965456"	178.028551	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+NaCOOH"	66.980151
"113269"	146.017802	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Cl"	69.938804
"553924"	201.542002	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Cl"	69.938804
"1023089"	90.493602	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Cl"	69.938804
"1242666"	189.967285	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Br"	78.918885
"1306940"	192.023272	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+HCOOH"	80.974872
"1324437"	214.005229	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+NaCOOH"	102.956829
"915495"	224.033986	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+CF3COOH"	112.985586
"1292567"	260.010664	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+CF3COOH"	148.962264
"1368905"	76.035724	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H-2H2O"	-35.012676
"1384579"	94.0457	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H-H2O"	-17.0027
"289733"	223.104076	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H"	1.007276
"676075"	334.152476	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H"	1.007276
"1354495"	112.055676	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H"	1.007276
"129572"	112.055676	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2H"	2.014552
"570227"	167.579876	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2H"	2.014552
"1038293"	56.531476	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2H"	2.014552
"205828"	75.0395426666667	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+3H"	3.021828
"645390"	112.055676	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+3H"	3.021828
"1163393"	38.0234093333333	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3H"	3.021828
"425333"	240.130623	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+NH4"	18.033823
"787790"	351.179023	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+NH4"	18.033823
"1685216"	129.082223	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4"	18.033823
"332763"	120.5689495	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+NH4"	19.041099
"725183"	176.0931495	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+NH4"	19.041099
"1479000"	65.0447495	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+NH4"	19.041099
"396226"	245.086018	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Na"	22.989218
"754433"	356.134418	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Na"	22.989218
"1604587"	134.037618	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na"	22.989218
"315720"	123.046647	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+Na"	23.996494
"709966"	178.570847	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+Na"	23.996494
"1463175"	67.522447	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+Na"	23.996494
"1053388"	45.3507233333333	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2H+Na"	25.00377
"1257372"	144.081886	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+CH3OH+H"	33.033486
"379108"	261.059958	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+K"	38.963158
"739248"	372.108358	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+K"	38.963158
"1540698"	150.011558	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K"	38.963158
"298804"	131.033617	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+K"	39.970434
"692120"	186.557817	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+K"	39.970434
"1451048"	75.509417	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+K"	39.970434
"238917"	264.130626	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+ACN+H"	42.033826
"1214544"	153.082226	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+H"	42.033826
"1198430"	77.044751	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+2H"	43.041102
"191301"	267.06796	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Na-H"	44.97116
"631589"	378.11636	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Na-H"	44.97116
"1135464"	156.01956	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Na-H"	44.97116
"178389"	134.037618	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Na"	45.978436
"621594"	189.561818	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Na"	45.978436
"1124006"	78.513418	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Na"	45.978436
"1404246"	52.6780373333333	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+2Na"	46.985712
"1432354"	158.061146	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+HCOOH"	47.012746
"223147"	139.07064	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+3H2O+2H"	56.04448
"1510482"	172.11319	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+IsoProp+H"	61.06479
"415273"	142.024588	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Na+K"	61.952376
"776269"	197.548788	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Na+K"	61.952376
"1669318"	86.500388	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+K"	61.952376
"252189"	286.112568	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+ACN+Na"	64.015768
"1230006"	175.064168	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+Na"	64.015768
"1715248"	175.087693	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4+HCOOH"	64.039293
"1180602"	60.0053513333333	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3Na"	68.967654
"1655599"	180.043088	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+HCOOH"	68.994688
"160640"	299.01584	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2K-H"	76.91904
"602750"	410.06424	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2K-H"	76.91904
"1090178"	187.96744	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K-H"	76.91904
"145536"	150.011558	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2K"	77.926316
"583276"	205.535758	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2K"	77.926316
"1069736"	94.487358	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K"	77.926316
"1105013"	189.981992	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K+H"	78.933592
"1340304"	190.069607	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+DMSO+H"	79.021207
"1013210"	194.108776	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2ACN+H"	83.060376
"1532429"	195.102408	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+IsoProp+Na+H"	84.054008
"1003254"	97.558026	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2ACN+2H"	84.067652
"1593382"	196.017028	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K+HCOOH"	84.968628
"1417950"	226.048538	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+CF3COOH"	115.000138
"1149333"	118.071301	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3ACN+2H"	125.094202
"1698885"	243.075085	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4+CF3COOH"	132.026685
"1635628"	248.03048	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+CF3COOH"	136.98208
"1577845"	264.00442	"C11010"	"2-Fluoroaniline;o-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K+CF3COOH"	152.95602
"815503"	228.0666	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M"	0
"981748"	209.04821	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-H2O-H"	-19.01839
"72178"	151.037124	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M-3H"	-3.021828
"511737"	227.059324	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M-3H"	-3.021828
"891728"	75.014924	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-3H"	-3.021828
"14922"	227.059324	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M-2H"	-2.014552
"453146"	341.092624	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M-2H"	-2.014552
"828759"	113.026024	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-2H"	-2.014552
"85473"	455.125924	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M-H"	-1.007276
"526127"	683.192524	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M-H"	-1.007276
"905023"	227.059324	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-H"	-1.007276
"52836"	472.152471	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M-2H+NH4"	16.019271
"495675"	700.219071	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M-2H+NH4"	16.019271
"868008"	244.085871	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-2H+NH4"	16.019271
"39189"	477.107866	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M-2H+Na"	20.974666
"479842"	705.174466	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M-2H+Na"	20.974666
"854364"	249.041266	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-2H+Na"	20.974666
"1626086"	249.041266	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Na-2H"	20.974666
"101521"	245.047663	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M-H+Cl"	33.962126
"543271"	359.080963	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M-H+Cl"	33.962126
"938976"	131.014363	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-H+Cl"	33.962126
"280813"	491.102602	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+Cl"	34.969402
"673236"	719.169202	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+Cl"	34.969402
"1284550"	263.036002	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Cl"	34.969402
"26013"	493.081806	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M-2H+K"	36.948606
"463387"	721.148406	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M-2H+K"	36.948606
"841188"	265.015206	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-2H+K"	36.948606
"1558478"	265.015206	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+K-2H"	36.948606
"951464"	273.064794	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-H+HCOOH"	44.998194
"367494"	501.131401	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+HCOOH-H"	44.998201
"347369"	515.147051	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+Hac-H"	59.013851
"1498023"	287.080451	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Hac-H"	59.013851
"968845"	295.046751	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-H+NaCOOH"	66.980151
"116660"	263.036002	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+2Cl"	69.938804
"556222"	377.069302	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+2Cl"	69.938804
"1027209"	149.002702	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2Cl"	69.938804
"1241924"	306.985485	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Br"	78.918885
"1307050"	309.041472	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Cl+HCOOH"	80.974872
"1330018"	331.023429	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Cl+NaCOOH"	102.956829
"918888"	341.052186	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M-H+CF3COOH"	112.985586
"1291220"	377.028864	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Cl+CF3COOH"	148.962264
"1370475"	193.053924	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H-2H2O"	-35.012676
"1391251"	211.0639	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H-H2O"	-17.0027
"292033"	457.140476	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+H"	1.007276
"680079"	685.207076	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+H"	1.007276
"1358615"	229.073876	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H"	1.007276
"132597"	229.073876	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+2H"	2.014552
"571067"	343.107176	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+2H"	2.014552
"1038405"	115.040576	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2H"	2.014552
"206181"	153.051676	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+3H"	3.021828
"645014"	229.073876	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+3H"	3.021828
"1165084"	77.029476	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+3H"	3.021828
"428727"	474.167023	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+NH4"	18.033823
"793005"	702.233623	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+NH4"	18.033823
"1688242"	246.100423	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+NH4"	18.033823
"334332"	237.5871495	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+H+NH4"	19.041099
"728211"	351.6204495	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+H+NH4"	19.041099
"1478747"	123.5538495	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H+NH4"	19.041099
"394876"	479.122418	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+Na"	22.989218
"760247"	707.189018	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+Na"	22.989218
"1605793"	251.055818	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Na"	22.989218
"318385"	240.064847	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+H+Na"	23.996494
"710805"	354.098147	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+H+Na"	23.996494
"1463167"	126.031547	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H+Na"	23.996494
"1053499"	84.35679	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2H+Na"	25.00377
"1258090"	261.100086	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+CH3OH+H"	33.033486
"377760"	495.096358	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+K"	38.963158
"738564"	723.162958	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+K"	38.963158
"1543362"	267.029758	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+K"	38.963158
"298613"	248.051817	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+H+K"	39.970434
"691620"	362.085117	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+H+K"	39.970434
"1450066"	134.018517	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H+K"	39.970434
"240856"	498.167026	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+ACN+H"	42.033826
"1221220"	270.100426	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+ACN+H"	42.033826
"1200729"	135.553851	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+ACN+2H"	43.041102
"201256"	501.10436	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+2Na-H"	44.97116
"643777"	729.17096	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+2Na-H"	44.97116
"1143228"	273.03776	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2Na-H"	44.97116
"177772"	251.055818	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+2Na"	45.978436
"625715"	365.089118	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+2Na"	45.978436
"1126303"	137.022518	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2Na"	45.978436
"1404359"	91.684104	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H+2Na"	46.985712
"1433197"	275.079346	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H+HCOOH"	47.012746
"223259"	256.08884	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+3H2O+2H"	56.04448
"1513145"	289.13139	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+IsoProp+H"	61.06479
"412831"	259.042788	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+Na+K"	61.952376
"778204"	373.076088	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+Na+K"	61.952376
"1667971"	145.009488	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Na+K"	61.952376
"253032"	520.148968	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+ACN+Na"	64.015768
"1230482"	292.082368	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+ACN+Na"	64.015768
"1717182"	292.105893	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+NH4+HCOOH"	64.039293
"1183629"	99.011418	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+3Na"	68.967654
"1655344"	297.061288	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Na+HCOOH"	68.994688
"160750"	533.05224	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+2K-H"	76.91904
"600311"	761.11884	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+2K-H"	76.91904
"1088104"	304.98564	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2K-H"	76.91904
"148929"	267.029758	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"2M+2K"	77.926316
"585206"	381.063058	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"3M+2K"	77.926316
"1071179"	152.996458	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2K"	77.926316
"1100093"	307.000192	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2K+H"	78.933592
"1339325"	307.087807	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+DMSO+H"	79.021207
"1016604"	311.126976	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2ACN+H"	83.060376
"1532542"	312.120608	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+IsoProp+Na+H"	84.054008
"998991"	156.067126	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+2ACN+2H"	84.067652
"1590216"	313.035228	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+K+HCOOH"	84.968628
"1415995"	343.066738	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+H+CF3COOH"	115.000138
"1149444"	176.580401	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+3ACN+2H"	125.094202
"1697535"	360.093285	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+NH4+CF3COOH"	132.026685
"1637930"	365.04868	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+Na+CF3COOH"	136.98208
"1577955"	381.02262	"C11011"	"Metoxuron;Dosanex"	"C10H13ClN2O2"	"228.0666"	"M+K+CF3COOH"	152.95602
"808319"	328.1342	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M"	0
"988050"	309.11581	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-H2O-H"	-19.01839
"73381"	217.748857333333	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M-3H"	-3.021828
"516951"	327.126924	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M-3H"	-3.021828
"892931"	108.370790666667	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-3H"	-3.021828
"14792"	327.126924	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M-2H"	-2.014552
"454999"	491.194024	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M-2H"	-2.014552
"832156"	163.059824	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-2H"	-2.014552
"87770"	655.261124	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M-H"	-1.007276
"527332"	983.395324	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M-H"	-1.007276
"905133"	327.126924	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-H"	-1.007276
"60601"	672.287671	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M-2H+NH4"	16.019271
"500160"	1000.421871	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M-2H+NH4"	16.019271
"873584"	344.153471	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-2H+NH4"	16.019271
"39298"	677.243066	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M-2H+Na"	20.974666
"482139"	1005.377266	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M-2H+Na"	20.974666
"855568"	349.108866	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-2H+Na"	20.974666
"1630569"	349.108866	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Na-2H"	20.974666
"104911"	345.115263	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M-H+Cl"	33.962126
"537914"	509.182363	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M-H+Cl"	33.962126
"940908"	181.048163	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-H+Cl"	33.962126
"281531"	691.237802	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+Cl"	34.969402
"673348"	1019.372002	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+Cl"	34.969402
"1285753"	363.103602	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Cl"	34.969402
"26123"	693.217006	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M-2H+K"	36.948606
"466777"	1021.351206	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M-2H+K"	36.948606
"841299"	365.082806	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-2H+K"	36.948606
"1561505"	365.082806	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+K-2H"	36.948606
"949388"	373.132394	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-H+HCOOH"	44.998194
"368699"	701.266601	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+HCOOH-H"	44.998201
"351488"	715.282251	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+Hac-H"	59.013851
"1502507"	387.148051	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Hac-H"	59.013851
"967862"	395.114351	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-H+NaCOOH"	66.980151
"116770"	363.103602	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+2Cl"	69.938804
"556332"	527.170702	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+2Cl"	69.938804
"1027319"	199.036502	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2Cl"	69.938804
"1250179"	407.053085	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Br"	78.918885
"1314816"	409.109072	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Cl+HCOOH"	80.974872
"1332680"	431.091029	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Cl+NaCOOH"	102.956829
"921185"	441.119786	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M-H+CF3COOH"	112.985586
"1290605"	477.096464	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Cl+CF3COOH"	148.962264
"1369492"	293.121524	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H-2H2O"	-35.012676
"1383343"	311.1315	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H-H2O"	-17.0027
"288862"	657.275676	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+H"	1.007276
"677273"	985.409876	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+H"	1.007276
"1356538"	329.141476	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H"	1.007276
"130522"	329.141476	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+2H"	2.014552
"570082"	493.208576	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+2H"	2.014552
"1038391"	165.074376	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2H"	2.014552
"205685"	219.763409333333	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+3H"	3.021828
"645611"	329.141476	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+3H"	3.021828
"1164831"	110.385342666667	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+3H"	3.021828
"427746"	674.302223	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+NH4"	18.033823
"790198"	1002.436423	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+NH4"	18.033823
"1688352"	346.168023	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+NH4"	18.033823
"334443"	337.6547495	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+H+NH4"	19.041099
"726864"	501.7218495	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+H+NH4"	19.041099
"1479221"	173.5876495	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H+NH4"	19.041099
"394619"	679.257618	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+Na"	22.989218
"754885"	1007.391818	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+Na"	22.989218
"1604084"	351.123418	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Na"	22.989218
"316309"	340.132447	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+H+Na"	23.996494
"714196"	504.199547	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+H+Na"	23.996494
"1464369"	176.065347	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H+Na"	23.996494
"1053973"	117.712656666667	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2H+Na"	25.00377
"1257838"	361.167686	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+CH3OH+H"	33.033486
"384797"	695.231558	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+K"	38.963158
"739960"	1023.365758	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+K"	38.963158
"1545659"	367.097358	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+K"	38.963158
"301014"	348.119417	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+H+K"	39.970434
"696354"	512.186517	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+H+K"	39.970434
"1451271"	184.052317	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H+K"	39.970434
"242059"	698.302226	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+ACN+H"	42.033826
"1224250"	370.168026	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+ACN+H"	42.033826
"1208496"	185.587651	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+ACN+2H"	43.041102
"203557"	701.23956	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+2Na-H"	44.97116
"640562"	1029.37376	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+2Na-H"	44.97116
"1146743"	373.10536	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2Na-H"	44.97116
"187850"	351.123418	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+2Na"	45.978436
"619629"	515.190518	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+2Na"	45.978436
"1120947"	187.056318	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2Na"	45.978436
"1403744"	125.039970666667	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H+2Na"	46.985712
"1433306"	375.146946	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H+HCOOH"	47.012746
"223369"	356.15644	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+3H2O+2H"	56.04448
"1515442"	389.19899	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+IsoProp+H"	61.06479
"412941"	359.110388	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+Na+K"	61.952376
"778314"	523.177488	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+Na+K"	61.952376
"1672093"	195.043288	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Na+K"	61.952376
"257881"	720.284168	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+ACN+Na"	64.015768
"1231684"	392.149968	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+ACN+Na"	64.015768
"1715468"	392.173493	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+NH4+HCOOH"	64.039293
"1179119"	132.367284666667	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+3Na"	68.967654
"1653633"	397.128888	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Na+HCOOH"	68.994688
"158305"	733.18744	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+2K-H"	76.91904
"602973"	1061.32164	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+2K-H"	76.91904
"1084808"	405.05324	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2K-H"	76.91904
"144299"	367.097358	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"2M+2K"	77.926316
"584223"	531.164458	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"3M+2K"	77.926316
"1068653"	203.030258	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2K"	77.926316
"1099999"	407.067792	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2K+H"	78.933592
"1342716"	407.155407	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+DMSO+H"	79.021207
"1017807"	411.194576	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2ACN+H"	83.060376
"1532653"	412.188208	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+IsoProp+Na+H"	84.054008
"999101"	206.100926	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+2ACN+2H"	84.067652
"1587775"	413.102828	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+K+HCOOH"	84.968628
"1415984"	443.134338	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+H+CF3COOH"	115.000138
"1152835"	226.614201	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+3ACN+2H"	125.094202
"1698254"	460.160885	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+NH4+CF3COOH"	132.026685
"1635850"	465.11628	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+Na+CF3COOH"	136.98208
"1578065"	481.09022	"C11012"	"Pencycuron"	"C19H21ClN2O"	"328.1342"	"M+K+CF3COOH"	152.95602
"808429"	111.0484	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M"	0
"987431"	92.03001	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H2O-H"	-19.01839
"74584"	73.0249906666667	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-3H"	-3.021828
"517429"	110.041124	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-3H"	-3.021828
"894016"	36.0088573333333	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-3H"	-3.021828
"12712"	110.041124	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H"	-2.014552
"445713"	165.565324	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H"	-2.014552
"830075"	54.516924	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H"	-2.014552
"86788"	221.089524	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-H"	-1.007276
"523064"	332.137924	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-H"	-1.007276
"904148"	110.041124	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H"	-1.007276
"54149"	238.116071	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+NH4"	16.019271
"498085"	349.164471	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+NH4"	16.019271
"871509"	127.067671	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+NH4"	16.019271
"40504"	243.071466	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+Na"	20.974666
"478970"	354.119866	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+Na"	20.974666
"856771"	132.023066	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+Na"	20.974666
"1627402"	132.023066	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na-2H"	20.974666
"105025"	128.029463	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-H+Cl"	33.962126
"543491"	183.553663	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-H+Cl"	33.962126
"940050"	72.505263	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+Cl"	33.962126
"275568"	257.066202	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Cl"	34.969402
"672363"	368.114602	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Cl"	34.969402
"1285744"	146.017802	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl"	34.969402
"26235"	259.045406	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+K"	36.948606
"463607"	370.093806	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+K"	36.948606
"842503"	147.997006	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+K"	36.948606
"1561618"	147.997006	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K-2H"	36.948606
"952780"	156.046594	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+HCOOH"	44.998194
"370996"	267.095001	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+HCOOH-H"	44.998201
"353787"	281.110651	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Hac-H"	59.013851
"1498243"	170.062251	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Hac-H"	59.013851
"970889"	178.028551	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+NaCOOH"	66.980151
"116881"	146.017802	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Cl"	69.938804
"555349"	201.542002	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Cl"	69.938804
"1023418"	90.493602	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Cl"	69.938804
"1242509"	189.967285	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Br"	78.918885
"1309458"	192.023272	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+HCOOH"	80.974872
"1330238"	214.005229	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+NaCOOH"	102.956829
"921295"	224.033986	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+CF3COOH"	112.985586
"1288887"	260.010664	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+CF3COOH"	148.962264
"1370696"	76.035724	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H-2H2O"	-35.012676
"1384912"	94.0457	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H-H2O"	-17.0027
"284599"	223.104076	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H"	1.007276
"677749"	334.152476	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H"	1.007276
"1353369"	112.055676	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H"	1.007276
"135008"	112.055676	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2H"	2.014552
"572381"	167.579876	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2H"	2.014552
"1040447"	56.531476	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2H"	2.014552
"206534"	75.0395426666667	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+3H"	3.021828
"647551"	112.055676	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+3H"	3.021828
"1167864"	38.0234093333333	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3H"	3.021828
"432230"	240.130623	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+NH4"	18.033823
"795412"	351.179023	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+NH4"	18.033823
"1690649"	129.082223	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4"	18.033823
"342208"	120.5689495	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+NH4"	19.041099
"728068"	176.0931495	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+NH4"	19.041099
"1480794"	65.0447495	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+NH4"	19.041099
"396195"	245.086018	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Na"	22.989218
"758285"	356.134418	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Na"	22.989218
"1608570"	134.037618	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na"	22.989218
"315811"	123.046647	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+Na"	23.996494
"708842"	178.570847	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+Na"	23.996494
"1462056"	67.522447	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+Na"	23.996494
"1053719"	45.3507233333333	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2H+Na"	25.00377
"1264148"	144.081886	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+CH3OH+H"	33.033486
"379804"	261.059958	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+K"	38.963158
"740074"	372.108358	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+K"	38.963158
"1544678"	150.011558	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K"	38.963158
"304041"	131.033617	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+K"	39.970434
"698655"	186.557817	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+K"	39.970434
"1451381"	75.509417	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+K"	39.970434
"249828"	264.130626	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+ACN+H"	42.033826
"1223269"	153.082226	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+H"	42.033826
"1208368"	77.044751	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+2H"	43.041102
"201116"	267.06796	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Na-H"	44.97116
"640677"	378.11636	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Na-H"	44.97116
"1144790"	156.01956	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Na-H"	44.97116
"187234"	134.037618	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Na"	45.978436
"623020"	189.561818	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Na"	45.978436
"1124338"	78.513418	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Na"	45.978436
"1403125"	52.6780373333333	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+2Na"	46.985712
"1436699"	158.061146	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+HCOOH"	47.012746
"226761"	139.07064	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+3H2O+2H"	56.04448
"1518834"	172.11319	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+IsoProp+H"	61.06479
"414150"	142.024588	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Na+K"	61.952376
"774414"	197.548788	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Na+K"	61.952376
"1672203"	86.500388	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+K"	61.952376
"256174"	286.112568	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+ACN+Na"	64.015768
"1229244"	175.064168	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+Na"	64.015768
"1717038"	175.087693	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4+HCOOH"	64.039293
"1183485"	60.0053513333333	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3Na"	68.967654
"1659214"	180.043088	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+HCOOH"	68.994688
"160971"	299.01584	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2K-H"	76.91904
"600532"	410.06424	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2K-H"	76.91904
"1086139"	187.96744	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K-H"	76.91904
"144046"	150.011558	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2K"	77.926316
"583727"	205.535758	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2K"	77.926316
"1069215"	94.487358	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K"	77.926316
"1101331"	189.981992	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K+H"	78.933592
"1337353"	190.069607	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+DMSO+H"	79.021207
"1013539"	194.108776	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2ACN+H"	83.060376
"1530573"	195.102408	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+IsoProp+Na+H"	84.054008
"991915"	97.558026	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2ACN+2H"	84.067652
"1592619"	196.017028	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K+HCOOH"	84.968628
"1419372"	226.048538	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+CF3COOH"	115.000138
"1150756"	118.071301	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3ACN+2H"	125.094202
"1699215"	243.075085	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4+CF3COOH"	132.026685
"1646895"	248.03048	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+CF3COOH"	136.98208
"1578175"	264.00442	"C11013"	"3-Fluoroaniline;m-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K+CF3COOH"	152.95602
"808539"	111.0484	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M"	0
"987541"	92.03001	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H2O-H"	-19.01839
"68131"	73.0249906666667	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-3H"	-3.021828
"517536"	110.041124	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-3H"	-3.021828
"895338"	36.0088573333333	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-3H"	-3.021828
"10636"	110.041124	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H"	-2.014552
"446916"	165.565324	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H"	-2.014552
"829092"	54.516924	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H"	-2.014552
"86898"	221.089524	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-H"	-1.007276
"524267"	332.137924	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-H"	-1.007276
"904258"	110.041124	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H"	-1.007276
"57540"	238.116071	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+NH4"	16.019271
"497102"	349.164471	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+NH4"	16.019271
"872714"	127.067671	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+NH4"	16.019271
"41707"	243.071466	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+Na"	20.974666
"482362"	354.119866	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+Na"	20.974666
"857975"	132.023066	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+Na"	20.974666
"1630792"	132.023066	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na-2H"	20.974666
"108418"	128.029463	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-H+Cl"	33.962126
"544696"	183.553663	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-H+Cl"	33.962126
"933842"	72.505263	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+Cl"	33.962126
"271305"	257.066202	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Cl"	34.969402
"665913"	368.114602	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Cl"	34.969402
"1276132"	146.017802	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl"	34.969402
"21970"	259.045406	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M-2H+K"	36.948606
"463717"	370.093806	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M-2H+K"	36.948606
"842614"	147.997006	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-2H+K"	36.948606
"1556262"	147.997006	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K-2H"	36.948606
"950704"	156.046594	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+HCOOH"	44.998194
"367826"	267.095001	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+HCOOH-H"	44.998201
"347698"	281.110651	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Hac-H"	59.013851
"1498353"	170.062251	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Hac-H"	59.013851
"969175"	178.028551	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+NaCOOH"	66.980151
"116991"	146.017802	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Cl"	69.938804
"552543"	201.542002	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Cl"	69.938804
"1024260"	90.493602	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Cl"	69.938804
"1242377"	189.967285	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Br"	78.918885
"1317223"	192.023272	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+HCOOH"	80.974872
"1330348"	214.005229	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+NaCOOH"	102.956829
"921405"	224.033986	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M-H+CF3COOH"	112.985586
"1292644"	260.010664	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Cl+CF3COOH"	148.962264
"1371899"	76.035724	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H-2H2O"	-35.012676
"1389397"	94.0457	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H-H2O"	-17.0027
"284710"	223.104076	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H"	1.007276
"677131"	334.152476	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H"	1.007276
"1353480"	112.055676	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H"	1.007276
"132931"	112.055676	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2H"	2.014552
"571398"	167.579876	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2H"	2.014552
"1038130"	56.531476	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2H"	2.014552
"207129"	75.0395426666667	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+3H"	3.021828
"648756"	112.055676	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+3H"	3.021828
"1168338"	38.0234093333333	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3H"	3.021828
"431247"	240.130623	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+NH4"	18.033823
"795522"	351.179023	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+NH4"	18.033823
"1689667"	129.082223	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4"	18.033823
"341224"	120.5689495	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+NH4"	19.041099
"733645"	176.0931495	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+NH4"	19.041099
"1479446"	65.0447495	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+NH4"	19.041099
"394115"	245.086018	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Na"	22.989218
"756568"	356.134418	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Na"	22.989218
"1607586"	134.037618	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na"	22.989218
"316525"	123.046647	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+Na"	23.996494
"708463"	178.570847	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+Na"	23.996494
"1461803"	67.522447	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+Na"	23.996494
"1054923"	45.3507233333333	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2H+Na"	25.00377
"1259884"	144.081886	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+CH3OH+H"	33.033486
"381007"	261.059958	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+K"	38.963158
"743827"	372.108358	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+K"	38.963158
"1544059"	150.011558	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K"	38.963158
"306339"	131.033617	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+H+K"	39.970434
"699859"	186.557817	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+H+K"	39.970434
"1451491"	75.509417	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+K"	39.970434
"249572"	264.130626	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+ACN+H"	42.033826
"1223745"	153.082226	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+H"	42.033826
"1208841"	77.044751	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+2H"	43.041102
"201836"	267.06796	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Na-H"	44.97116
"642246"	378.11636	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Na-H"	44.97116
"1146364"	156.01956	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Na-H"	44.97116
"186246"	134.037618	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2Na"	45.978436
"626781"	189.561818	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2Na"	45.978436
"1124448"	78.513418	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2Na"	45.978436
"1406881"	52.6780373333333	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+2Na"	46.985712
"1437903"	158.061146	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+HCOOH"	47.012746
"227600"	139.07064	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+3H2O+2H"	56.04448
"1518944"	172.11319	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+IsoProp+H"	61.06479
"413165"	142.024588	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+Na+K"	61.952376
"773794"	197.548788	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+Na+K"	61.952376
"1668667"	86.500388	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+K"	61.952376
"255920"	286.112568	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+ACN+Na"	64.015768
"1228260"	175.064168	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+ACN+Na"	64.015768
"1717149"	175.087693	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4+HCOOH"	64.039293
"1183234"	60.0053513333333	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3Na"	68.967654
"1657138"	180.043088	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+HCOOH"	68.994688
"160717"	299.01584	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2K-H"	76.91904
"600642"	410.06424	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2K-H"	76.91904
"1088071"	187.96744	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K-H"	76.91904
"143793"	150.011558	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"2M+2K"	77.926316
"583355"	205.535758	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"3M+2K"	77.926316
"1070055"	94.487358	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K"	77.926316
"1103265"	189.981992	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2K+H"	78.933592
"1335998"	190.069607	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+DMSO+H"	79.021207
"1013649"	194.108776	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2ACN+H"	83.060376
"1526308"	195.102408	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+IsoProp+Na+H"	84.054008
"994943"	97.558026	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+2ACN+2H"	84.067652
"1589446"	196.017028	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K+HCOOH"	84.968628
"1419482"	226.048538	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+H+CF3COOH"	115.000138
"1149772"	118.071301	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+3ACN+2H"	125.094202
"1699685"	243.075085	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+NH4+CF3COOH"	132.026685
"1647005"	248.03048	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+Na+CF3COOH"	136.98208
"1578285"	264.00442	"C11014"	"4-Fluoroaniline;p-Fluoroaniline"	"C6H6FN"	"111.0484"	"M+K+CF3COOH"	152.95602
"813029"	190.0776	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M"	0
"985467"	171.05921	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-H2O-H"	-19.01839
"75900"	125.711124	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M-3H"	-3.021828
"516554"	189.070324	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M-3H"	-3.021828
"894235"	62.351924	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-3H"	-3.021828
"2728"	189.070324	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M-2H"	-2.014552
"445932"	284.109124	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M-2H"	-2.014552
"823730"	94.031524	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-2H"	-2.014552
"88098"	379.147924	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M-H"	-1.007276
"532032"	569.225524	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M-H"	-1.007276
"907649"	189.070324	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-H"	-1.007276
"54369"	396.174471	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M-2H+NH4"	16.019271
"497209"	586.252071	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M-2H+NH4"	16.019271
"872822"	206.096871	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-2H+NH4"	16.019271
"41817"	401.129866	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M-2H+Na"	20.974666
"483563"	591.207466	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M-2H+Na"	20.974666
"861366"	211.052266	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-2H+Na"	20.974666
"1629809"	211.052266	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Na-2H"	20.974666
"107435"	207.058663	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M-H+Cl"	33.962126
"543717"	302.097463	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M-H+Cl"	33.962126
"932862"	112.019863	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-H+Cl"	33.962126
"269590"	415.124602	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+Cl"	34.969402
"662739"	605.202202	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+Cl"	34.969402
"1274172"	225.047002	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Cl"	34.969402
"19889"	417.103806	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M-2H+K"	36.948606
"460544"	607.181406	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M-2H+K"	36.948606
"837253"	227.026206	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-2H+K"	36.948606
"1564021"	227.026206	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+K-2H"	36.948606
"954092"	235.075794	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-H+HCOOH"	44.998194
"369028"	425.153401	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+HCOOH-H"	44.998201
"356192"	439.169051	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+Hac-H"	59.013851
"1506121"	249.091451	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Hac-H"	59.013851
"967097"	257.057751	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-H+NaCOOH"	66.980151
"120379"	225.047002	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+2Cl"	69.938804
"563220"	320.085802	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+2Cl"	69.938804
"1034207"	130.008202	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2Cl"	69.938804
"1251600"	268.996485	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Br"	78.918885
"1310770"	271.052472	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Cl+HCOOH"	80.974872
"1326084"	293.034429	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Cl+NaCOOH"	102.956829
"912038"	303.063186	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M-H+CF3COOH"	112.985586
"1289840"	339.039864	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Cl+CF3COOH"	148.962264
"1373100"	155.064924	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H-2H2O"	-35.012676
"1388410"	173.0749	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H-H2O"	-17.0027
"290286"	381.162476	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+H"	1.007276
"680886"	571.240076	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+H"	1.007276
"1360149"	191.084876	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H"	1.007276
"131946"	191.084876	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+2H"	2.014552
"573701"	286.123676	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+2H"	2.014552
"1044688"	96.046076	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2H"	2.014552
"207482"	127.725676	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+3H"	3.021828
"646676"	191.084876	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+3H"	3.021828
"1162908"	64.366476	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+3H"	3.021828
"424787"	398.189023	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+NH4"	18.033823
"791258"	588.266623	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+NH4"	18.033823
"1683942"	208.111423	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+NH4"	18.033823
"330637"	199.5981495	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+H+NH4"	19.041099
"723908"	294.6369495	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+H+NH4"	19.041099
"1478820"	104.5593495	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H+NH4"	19.041099
"393005"	403.144418	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+Na"	22.989218
"754850"	593.222018	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+Na"	22.989218
"1602831"	213.066818	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Na"	22.989218
"314375"	202.075847	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+H+Na"	23.996494
"707605"	297.114647	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+H+Na"	23.996494
"1462030"	107.037047	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H+Na"	23.996494
"1054669"	71.69379	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2H+Na"	25.00377
"1263279"	223.111086	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+CH3OH+H"	33.033486
"379666"	419.118358	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+K"	38.963158
"739929"	609.195958	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+K"	38.963158
"1544898"	229.040758	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+K"	38.963158
"306451"	210.062817	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+H+K"	39.970434
"698871"	305.101617	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+H+K"	39.970434
"1457069"	115.024017	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H+K"	39.970434
"249318"	422.189026	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+ACN+H"	42.033826
"1224579"	232.111426	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+ACN+H"	42.033826
"1208828"	116.559351	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+ACN+2H"	43.041102
"200605"	425.12636	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+2Na-H"	44.97116
"640892"	615.20396	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+2Na-H"	44.97116
"1144764"	235.04876	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2Na-H"	44.97116
"188024"	213.066818	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+2Na"	45.978436
"628104"	308.105618	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+2Na"	45.978436
"1128934"	118.028018	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2Na"	45.978436
"1409180"	79.021104	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H+2Na"	46.985712
"1435829"	237.090346	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H+HCOOH"	47.012746
"226617"	218.09984	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+3H2O+2H"	56.04448
"1513588"	251.14239	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+IsoProp+H"	61.06479
"411814"	221.053788	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+Na+K"	61.952376
"773173"	316.092588	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+Na+K"	61.952376
"1668412"	126.014988	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Na+K"	61.952376
"254934"	444.170968	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+ACN+Na"	64.015768
"1229100"	254.093368	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+ACN+Na"	64.015768
"1716164"	254.116893	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+NH4+HCOOH"	64.039293
"1181518"	86.348418	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+3Na"	68.967654
"1654328"	259.072288	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Na+HCOOH"	68.994688
"159734"	457.07424	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+2K-H"	76.91904
"599050"	647.15184	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+2K-H"	76.91904
"1085143"	266.99664	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2K-H"	76.91904
"143173"	229.040758	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"2M+2K"	77.926316
"582612"	324.079558	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"3M+2K"	77.926316
"1069190"	134.001958	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2K"	77.926316
"1103374"	269.011192	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2K+H"	78.933592
"1337576"	269.098807	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+DMSO+H"	79.021207
"1006830"	273.137976	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2ACN+H"	83.060376
"1525326"	274.131608	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+IsoProp+Na+H"	84.054008
"991774"	137.072626	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+2ACN+2H"	84.067652
"1589556"	275.046228	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+K+HCOOH"	84.968628
"1414852"	305.077738	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+H+CF3COOH"	115.000138
"1148789"	157.585901	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+3ACN+2H"	125.094202
"1698702"	322.104285	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+NH4+CF3COOH"	132.026685
"1634838"	327.05968	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+Na+CF3COOH"	136.98208
"1578395"	343.03362	"C11015"	"Aldicarb"	"C7H14N2O2S"	"190.0776"	"M+K+CF3COOH"	152.95602
"808759"	169.0891	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M"	0
"982297"	150.07071	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-H2O-H"	-19.01839
"77469"	111.718790666667	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M-3H"	-3.021828
"517922"	168.081824	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M-3H"	-3.021828
"894466"	55.3557573333333	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-3H"	-3.021828
"6484"	168.081824	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M-2H"	-2.014552
"446043"	252.626374	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M-2H"	-2.014552
"822750"	83.537274	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-2H"	-2.014552
"90396"	337.170924	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M-H"	-1.007276
"527769"	506.260024	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M-H"	-1.007276
"904480"	168.081824	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-H"	-1.007276
"54480"	354.197471	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M-2H+NH4"	16.019271
"494040"	523.286571	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M-2H+NH4"	16.019271
"875118"	185.108371	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-2H+NH4"	16.019271
"38647"	359.152866	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M-2H+Na"	20.974666
"480392"	528.241966	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M-2H+Na"	20.974666
"861476"	190.063766	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-2H+Na"	20.974666
"1625545"	190.063766	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Na-2H"	20.974666
"108638"	186.070163	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M-H+Cl"	33.962126
"541640"	270.614713	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M-H+Cl"	33.962126
"932972"	101.525613	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-H+Cl"	33.962126
"270793"	373.147602	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+Cl"	34.969402
"663574"	542.236702	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+Cl"	34.969402
"1275250"	204.058502	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Cl"	34.969402
"18901"	375.126806	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M-2H+K"	36.948606
"466122"	544.215906	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M-2H+K"	36.948606
"840645"	206.037706	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-2H+K"	36.948606
"1561944"	206.037706	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+K-2H"	36.948606
"949831"	214.087294	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-H+HCOOH"	44.998194
"369138"	383.176401	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+HCOOH-H"	44.998201
"352292"	397.192051	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+Hac-H"	59.013851
"1507080"	228.102951	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Hac-H"	59.013851
"970488"	236.069251	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-H+NaCOOH"	66.980151
"121582"	204.058502	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+2Cl"	69.938804
"557863"	288.603052	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+2Cl"	69.938804
"1029945"	119.513952	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2Cl"	69.938804
"1256571"	248.007985	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Br"	78.918885
"1306140"	250.063972	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Cl+HCOOH"	80.974872
"1323643"	272.045929	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Cl+NaCOOH"	102.956829
"912514"	282.074686	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M-H+CF3COOH"	112.985586
"1292139"	318.051364	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Cl+CF3COOH"	148.962264
"1368835"	134.076424	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H-2H2O"	-35.012676
"1386697"	152.0864	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H-H2O"	-17.0027
"290394"	339.185476	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+H"	1.007276
"680632"	508.274576	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+H"	1.007276
"1359166"	170.096376	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H"	1.007276
"132056"	170.096376	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+2H"	2.014552
"573811"	254.640926	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+2H"	2.014552
"1041516"	85.551826	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2H"	2.014552
"206133"	113.733342666667	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+3H"	3.021828
"645083"	170.096376	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+3H"	3.021828
"1163817"	57.3703093333333	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+3H"	3.021828
"425631"	356.212023	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+NH4"	18.033823
"791368"	525.301123	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+NH4"	18.033823
"1684052"	187.122923	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+NH4"	18.033823
"331601"	178.6096495	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+H+NH4"	19.041099
"723370"	263.1541995	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+H+NH4"	19.041099
"1478326"	94.0650995	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H+NH4"	19.041099
"393605"	361.167418	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+Na"	22.989218
"755331"	530.256518	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+Na"	22.989218
"1603916"	192.078318	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Na"	22.989218
"315042"	181.087347	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+H+Na"	23.996494
"707627"	265.631897	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+H+Na"	23.996494
"1462625"	96.542797	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H+Na"	23.996494
"1054415"	64.6976233333333	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2H+Na"	25.00377
"1261200"	202.122586	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+CH3OH+H"	33.033486
"380869"	377.141358	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+K"	38.963158
"742955"	546.230458	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+K"	38.963158
"1543917"	208.052258	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+K"	38.963158
"306561"	189.074317	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+H+K"	39.970434
"701900"	273.618867	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+H+K"	39.970434
"1459733"	104.529767	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H+K"	39.970434
"250158"	380.212026	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+ACN+H"	42.033826
"1224448"	211.122926	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+ACN+H"	42.033826
"1208936"	106.065101	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+ACN+2H"	43.041102
"204159"	383.14936	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+2Na-H"	44.97116
"644074"	552.23846	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+2Na-H"	44.97116
"1146991"	214.06026	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2Na-H"	44.97116
"186705"	192.078318	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+2Na"	45.978436
"627723"	276.622868	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+2Na"	45.978436
"1129407"	107.533768	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2Na"	45.978436
"1408195"	72.0249373333333	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H+2Na"	46.985712
"1439220"	216.101846	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H+HCOOH"	47.012746
"226728"	197.11134	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+3H2O+2H"	56.04448
"1512969"	230.15389	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+IsoProp+H"	61.06479
"413018"	200.065288	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+Na+K"	61.952376
"772554"	284.609838	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+Na+K"	61.952376
"1671073"	115.520738	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Na+K"	61.952376
"256138"	402.193968	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+ACN+Na"	64.015768
"1231034"	233.104868	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+ACN+Na"	64.015768
"1717368"	233.128393	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+NH4+HCOOH"	64.039293
"1181264"	79.3522513333333	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+3Na"	68.967654
"1654072"	238.083788	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Na+HCOOH"	68.994688
"160208"	415.09724	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+2K-H"	76.91904
"600497"	584.18634	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+2K-H"	76.91904
"1088291"	246.00814	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2K-H"	76.91904
"142794"	208.052258	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"2M+2K"	77.926316
"583084"	292.596808	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"3M+2K"	77.926316
"1069174"	123.507708	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2K"	77.926316
"1100561"	248.022692	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2K+H"	78.933592
"1337806"	248.110307	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+DMSO+H"	79.021207
"1006695"	252.149476	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2ACN+H"	83.060376
"1526893"	253.143108	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+IsoProp+Na+H"	84.054008
"992976"	126.578376	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+2ACN+2H"	84.067652
"1590763"	254.057728	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+K+HCOOH"	84.968628
"1415691"	284.089238	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+H+CF3COOH"	115.000138
"1151085"	147.091651	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+3ACN+2H"	125.094202
"1698448"	301.115785	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+NH4+CF3COOH"	132.026685
"1635195"	306.07118	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+Na+CF3COOH"	136.98208
"1578505"	322.04512	"C11016"	"Diphenylamine;NN-Diphenylamine"	"C12H11N"	"169.0891"	"M+K+CF3COOH"	152.95602
"815800"	313.1314	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M"	0
"982407"	294.11301	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-H2O-H"	-19.01839
"71744"	207.746990666667	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M-3H"	-3.021828
"516410"	312.124124	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M-3H"	-3.021828
"894941"	103.369857333333	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-3H"	-3.021828
"7686"	312.124124	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M-2H"	-2.014552
"448338"	468.689824	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M-2H"	-2.014552
"825049"	155.558424	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-2H"	-2.014552
"88319"	625.255524	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M-H"	-1.007276
"526786"	938.386924	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M-H"	-1.007276
"907871"	312.124124	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-H"	-1.007276
"54590"	642.282071	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M-2H+NH4"	16.019271
"499618"	955.413471	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M-2H+NH4"	16.019271
"873042"	329.150671	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-2H+NH4"	16.019271
"39851"	647.237466	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M-2H+Na"	20.974666
"479410"	960.368866	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M-2H+Na"	20.974666
"860494"	334.106066	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-2H+Na"	20.974666
"1625655"	334.106066	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Na-2H"	20.974666
"105469"	330.112463	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M-H+Cl"	33.962126
"539926"	486.678163	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M-H+Cl"	33.962126
"935268"	173.546763	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-H+Cl"	33.962126
"269810"	661.232202	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+Cl"	34.969402
"662956"	974.363602	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+Cl"	34.969402
"1274269"	348.100802	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Cl"	34.969402
"17675"	663.211406	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M-2H+K"	36.948606
"464046"	976.342806	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M-2H+K"	36.948606
"841848"	350.080006	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-2H+K"	36.948606
"1562054"	350.080006	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+K-2H"	36.948606
"954316"	358.129594	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-H+HCOOH"	44.998194
"368155"	671.261001	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+HCOOH-H"	44.998201
"354225"	685.276651	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+Hac-H"	59.013851
"1506340"	372.145251	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Hac-H"	59.013851
"970236"	380.111551	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-H+NaCOOH"	66.980151
"120599"	348.100802	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+2Cl"	69.938804
"554693"	504.666502	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+2Cl"	69.938804
"1030055"	191.535102	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2Cl"	69.938804
"1256194"	392.050285	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Br"	78.918885
"1305157"	394.106272	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Cl+HCOOH"	80.974872
"1328489"	416.088229	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Cl+NaCOOH"	102.956829
"912624"	426.116986	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M-H+CF3COOH"	112.985586
"1295165"	462.093664	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Cl+CF3COOH"	148.962264
"1367975"	278.118724	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H-2H2O"	-35.012676
"1384621"	296.1287	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H-H2O"	-17.0027
"288318"	627.270076	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+H"	1.007276
"678917"	940.401476	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+H"	1.007276
"1359276"	314.138676	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H"	1.007276
"132166"	314.138676	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+2H"	2.014552
"573921"	470.704376	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+2H"	2.014552
"1041626"	157.572976	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2H"	2.014552
"206122"	209.761542666667	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+3H"	3.021828
"645194"	314.138676	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+3H"	3.021828
"1163563"	105.384409333333	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+3H"	3.021828
"425013"	644.296623	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+NH4"	18.033823
"798040"	957.428023	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+NH4"	18.033823
"1685622"	331.165223	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+NH4"	18.033823
"331714"	322.6519495	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+H+NH4"	19.041099
"723038"	479.2176495	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+H+NH4"	19.041099
"1479047"	166.0862495	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H+NH4"	19.041099
"393474"	649.252018	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+Na"	22.989218
"755198"	962.383418	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+Na"	22.989218
"1604756"	336.120618	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Na"	22.989218
"314668"	325.129647	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+H+Na"	23.996494
"707167"	481.695347	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+H+Na"	23.996494
"1463466"	168.563947	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H+Na"	23.996494
"1053916"	112.711723333333	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2H+Na"	25.00377
"1260216"	346.164886	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+CH3OH+H"	33.033486
"379885"	665.225958	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+K"	38.963158
"743065"	978.357358	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+K"	38.963158
"1544027"	352.094558	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+K"	38.963158
"303390"	333.116617	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+H+K"	39.970434
"701282"	489.682317	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+H+K"	39.970434
"1457291"	176.550917	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H+K"	39.970434
"249538"	668.296626	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+ACN+H"	42.033826
"1221519"	355.165226	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+ACN+H"	42.033826
"1209614"	178.086251	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+ACN+2H"	43.041102
"204155"	671.23396	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+2Na-H"	44.97116
"643872"	984.36536	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+2Na-H"	44.97116
"1145836"	358.10256	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2Na-H"	44.97116
"188550"	336.120618	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+2Na"	45.978436
"625281"	492.686318	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+2Na"	45.978436
"1126965"	179.554918	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2Na"	45.978436
"1407212"	120.039037333333	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H+2Na"	46.985712
"1438237"	360.144146	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H+HCOOH"	47.012746
"226838"	341.15364	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+3H2O+2H"	56.04448
"1512350"	374.19619	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+IsoProp+H"	61.06479
"412399"	344.107588	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+Na+K"	61.952376
"774487"	500.673288	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+Na+K"	61.952376
"1670091"	187.541888	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Na+K"	61.952376
"254790"	690.278568	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+ACN+Na"	64.015768
"1229322"	377.147168	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+ACN+Na"	64.015768
"1716752"	377.170693	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+NH4+HCOOH"	64.039293
"1183202"	127.366351333333	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+3Na"	68.967654
"1654187"	382.126088	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Na+HCOOH"	68.994688
"161049"	703.18184	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+2K-H"	76.91904
"600609"	1016.31324	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+2K-H"	76.91904
"1088401"	390.05044	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2K-H"	76.91904
"143391"	352.094558	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"2M+2K"	77.926316
"584776"	508.660258	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"3M+2K"	77.926316
"1069043"	195.528858	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2K"	77.926316
"1101160"	392.064992	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2K+H"	78.933592
"1336942"	392.152607	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+DMSO+H"	79.021207
"1006684"	396.191776	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2ACN+H"	83.060376
"1527367"	397.185408	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+IsoProp+Na+H"	84.054008
"990528"	198.599526	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+2ACN+2H"	84.067652
"1589414"	398.100028	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+K+HCOOH"	84.968628
"1416164"	428.131538	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+H+CF3COOH"	115.000138
"1150104"	219.112801	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+3ACN+2H"	125.094202
"1699656"	445.158085	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+NH4+CF3COOH"	132.026685
"1635305"	450.11348	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+Na+CF3COOH"	136.98208
"1578615"	466.08742	"C11017"	"Kresoxim-methyl;BAS 490 F"	"C18H19NO4"	"313.1314"	"M+K+CF3COOH"	152.95602
"808979"	317.0058	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M"	0
"982517"	297.98741	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-H2O-H"	-19.01839
"70761"	210.329924	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M-3H"	-3.021828
"514698"	315.998524	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M-3H"	-3.021828
"893596"	104.661324	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-3H"	-3.021828
"4516"	315.998524	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M-2H"	-2.014552
"448448"	474.501424	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M-2H"	-2.014552
"826252"	157.495624	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-2H"	-2.014552
"85149"	633.004324	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M-H"	-1.007276
"526896"	950.010124	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M-H"	-1.007276
"902513"	315.998524	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-H"	-1.007276
"52512"	650.030871	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M-2H+NH4"	16.019271
"496448"	967.036671	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M-2H+NH4"	16.019271
"870965"	333.025071	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-2H+NH4"	16.019271
"37775"	654.986266	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M-2H+Na"	20.974666
"480614"	971.992066	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M-2H+Na"	20.974666
"861698"	337.980466	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-2H+Na"	20.974666
"1625765"	337.980466	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Na-2H"	20.974666
"105578"	333.986863	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M-H+Cl"	33.962126
"544046"	492.489763	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M-H+Cl"	33.962126
"932097"	175.483963	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-H+Cl"	33.962126
"268462"	668.981002	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+Cl"	34.969402
"661120"	985.986802	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+Cl"	34.969402
"1273288"	351.975202	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Cl"	34.969402
"15924"	670.960206	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M-2H+K"	36.948606
"464156"	987.966006	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M-2H+K"	36.948606
"841958"	353.954406	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-2H+K"	36.948606
"1562164"	353.954406	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+K-2H"	36.948606
"955519"	362.003994	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-H+HCOOH"	44.998194
"368265"	679.009801	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+HCOOH-H"	44.998201
"354335"	693.025451	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+Hac-H"	59.013851
"1504628"	376.019651	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Hac-H"	59.013851
"970709"	383.985951	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-H+NaCOOH"	66.980151
"120709"	351.975202	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+2Cl"	69.938804
"558083"	510.478102	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+2Cl"	69.938804
"1033445"	193.472302	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2Cl"	69.938804
"1255939"	395.924685	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Br"	78.918885
"1305996"	397.980672	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Cl+HCOOH"	80.974872
"1325319"	419.962629	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Cl+NaCOOH"	102.956829
"914192"	429.991386	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M-H+CF3COOH"	112.985586
"1290901"	465.968064	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Cl+CF3COOH"	148.962264
"1370152"	281.993124	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H-2H2O"	-35.012676
"1384367"	300.0031	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H-H2O"	-17.0027
"291708"	635.018876	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+H"	1.007276
"680121"	952.024676	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+H"	1.007276
"1361573"	318.013076	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H"	1.007276
"134463"	318.013076	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+2H"	2.014552
"567833"	476.515976	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+2H"	2.014552
"1042100"	159.510176	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2H"	2.014552
"206719"	212.344476	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+3H"	3.021828
"646276"	318.013076	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+3H"	3.021828
"1164403"	106.675876	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+3H"	3.021828
"426947"	652.045423	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+NH4"	18.033823
"797057"	969.051223	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+NH4"	18.033823
"1687919"	335.039623	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+NH4"	18.033823
"332918"	326.5263495	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+H+NH4"	19.041099
"726431"	485.0292495	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+H+NH4"	19.041099
"1482438"	168.0234495	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H+NH4"	19.041099
"394557"	657.000818	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+Na"	22.989218
"759926"	974.006618	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+Na"	22.989218
"1606932"	339.995018	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Na"	22.989218
"316969"	329.004047	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+H+Na"	23.996494
"708053"	487.506947	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+H+Na"	23.996494
"1462846"	170.501147	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H+Na"	23.996494
"1053094"	114.00319	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2H+Na"	25.00377
"1259232"	350.039286	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+CH3OH+H"	33.033486
"379995"	672.974758	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+K"	38.963158
"740260"	989.980558	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+K"	38.963158
"1545230"	355.968958	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+K"	38.963158
"307875"	336.991017	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+H+K"	39.970434
"701392"	495.493917	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+H+K"	39.970434
"1455214"	178.488117	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H+K"	39.970434
"247461"	676.045426	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+ACN+H"	42.033826
"1224186"	359.039626	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+ACN+H"	42.033826
"1206606"	180.023451	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+ACN+2H"	43.041102
"202276"	678.98276	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+2Na-H"	44.97116
"643660"	995.98856	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+2Na-H"	44.97116
"1146679"	361.97696	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2Na-H"	44.97116
"187903"	339.995018	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+2Na"	45.978436
"623569"	498.497918	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+2Na"	45.978436
"1123794"	181.492118	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2Na"	45.978436
"1407322"	121.330504	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H+2Na"	46.985712
"1433973"	364.018546	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H+HCOOH"	47.012746
"229135"	345.02804	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+3H2O+2H"	56.04448
"1511732"	378.07059	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+IsoProp+H"	61.06479
"412145"	347.981988	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+Na+K"	61.952376
"775693"	506.484888	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+Na+K"	61.952376
"1668378"	189.479088	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Na+K"	61.952376
"256358"	698.027368	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+ACN+Na"	64.015768
"1229796"	381.021568	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+ACN+Na"	64.015768
"1719048"	381.045093	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+NH4+HCOOH"	64.039293
"1184406"	128.657818	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+3Na"	68.967654
"1652474"	386.000488	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Na+HCOOH"	68.994688
"163344"	710.93064	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+2K-H"	76.91904
"601811"	1027.93644	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+2K-H"	76.91904
"1088510"	393.92484	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2K-H"	76.91904
"141592"	355.968958	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"2M+2K"	77.926316
"583793"	514.471858	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"3M+2K"	77.926316
"1069642"	197.466058	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2K"	77.926316
"1100541"	395.939392	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2K+H"	78.933592
"1337538"	396.027007	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+DMSO+H"	79.021207
"1005939"	400.066176	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2ACN+H"	83.060376
"1525533"	401.059808	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+IsoProp+Na+H"	84.054008
"991370"	200.536726	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+2ACN+2H"	84.067652
"1587454"	401.974428	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+K+HCOOH"	84.968628
"1414569"	432.005938	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+H+CF3COOH"	115.000138
"1151307"	221.050001	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+3ACN+2H"	125.094202
"1699766"	449.032485	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+NH4+CF3COOH"	132.026685
"1634807"	453.98788	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+Na+CF3COOH"	136.98208
"1578725"	469.96182	"C11018"	"Azinphos-methyl;Azinphos methyl"	"C10H12N3O3PS2"	"317.0058"	"M+K+CF3COOH"	152.95602
"816346"	281.1376	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M"	0
"988100"	262.11921	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-H2O-H"	-19.01839
"75251"	186.417790666667	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M-3H"	-3.021828
"516270"	280.130324	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M-3H"	-3.021828
"892977"	92.7052573333333	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-3H"	-3.021828
"5721"	280.130324	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M-2H"	-2.014552
"451840"	420.699124	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M-2H"	-2.014552
"826362"	139.561524	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-2H"	-2.014552
"86354"	561.267924	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M-H"	-1.007276
"527008"	842.405524	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M-H"	-1.007276
"903716"	280.130324	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-H"	-1.007276
"53718"	578.294471	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M-2H+NH4"	16.019271
"494370"	859.432071	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M-2H+NH4"	16.019271
"871076"	297.156871	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-2H+NH4"	16.019271
"38977"	583.249866	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M-2H+Na"	20.974666
"481822"	864.387466	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M-2H+Na"	20.974666
"858532"	302.112266	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-2H+Na"	20.974666
"1630253"	302.112266	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Na-2H"	20.974666
"104594"	298.118663	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M-H+Cl"	33.962126
"544159"	438.687463	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M-H+Cl"	33.962126
"932208"	157.549863	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-H+Cl"	33.962126
"268087"	597.244602	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+Cl"	34.969402
"661483"	878.382202	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+Cl"	34.969402
"1276684"	316.107002	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Cl"	34.969402
"19240"	599.223806	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M-2H+K"	36.948606
"468643"	880.361406	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M-2H+K"	36.948606
"843531"	318.086206	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-2H+K"	36.948606
"1567381"	318.086206	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+K-2H"	36.948606
"946150"	326.135794	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-H+HCOOH"	44.998194
"370561"	607.273401	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+HCOOH-H"	44.998201
"356633"	621.289051	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+Hac-H"	59.013851
"1506560"	340.151451	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Hac-H"	59.013851
"971914"	348.117751	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-H+NaCOOH"	66.980151
"119725"	316.107002	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+2Cl"	69.938804
"558193"	456.675802	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+2Cl"	69.938804
"1033191"	175.538202	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2Cl"	69.938804
"1254958"	360.056485	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Br"	78.918885
"1314492"	362.112472	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Cl+HCOOH"	80.974872
"1327617"	384.094429	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Cl+NaCOOH"	102.956829
"917218"	394.123186	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M-H+CF3COOH"	112.985586
"1293199"	430.099864	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Cl+CF3COOH"	148.962264
"1375731"	246.124924	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H-2H2O"	-35.012676
"1387762"	264.1349	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H-H2O"	-17.0027
"287448"	563.282476	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+H"	1.007276
"686066"	844.420076	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+H"	1.007276
"1358407"	282.144876	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H"	1.007276
"127648"	282.144876	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+2H"	2.014552
"567943"	422.713676	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+2H"	2.014552
"1039294"	141.576076	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2H"	2.014552
"206465"	188.432342666667	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+3H"	3.021828
"646753"	282.144876	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+3H"	3.021828
"1171806"	94.7198093333333	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+3H"	3.021828
"433984"	580.309023	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+NH4"	18.033823
"797169"	861.446623	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+NH4"	18.033823
"1688032"	299.171423	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+NH4"	18.033823
"336309"	290.6581495	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+H+NH4"	19.041099
"729822"	431.2269495	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+H+NH4"	19.041099
"1483643"	150.0893495	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H+NH4"	19.041099
"396856"	585.264418	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+Na"	22.989218
"760036"	866.402018	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+Na"	22.989218
"1608137"	304.126818	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Na"	22.989218
"318175"	293.135847	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+H+Na"	23.996494
"713877"	433.704647	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+H+Na"	23.996494
"1465511"	152.567047	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H+Na"	23.996494
"1055476"	102.047123333333	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2H+Na"	25.00377
"1261529"	314.171086	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+CH3OH+H"	33.033486
"381199"	601.238358	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+K"	38.963158
"744382"	882.375958	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+K"	38.963158
"1549715"	320.100758	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+K"	38.963158
"308718"	301.122817	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+H+K"	39.970434
"699316"	441.691617	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+H+K"	39.970434
"1455324"	160.554017	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H+K"	39.970434
"249396"	604.309026	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+ACN+H"	42.033826
"1224782"	323.171426	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+ACN+H"	42.033826
"1208666"	162.089351	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+ACN+2H"	43.041102
"203482"	607.24636	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+2Na-H"	44.97116
"643286"	888.38396	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+2Na-H"	44.97116
"1146181"	326.10876	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2Na-H"	44.97116
"187041"	304.126818	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+2Na"	45.978436
"626600"	444.695618	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+2Na"	45.978436
"1128645"	163.558018	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2Na"	45.978436
"1409984"	109.374437333333	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H+2Na"	46.985712
"1438093"	328.150346	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H+HCOOH"	47.012746
"229245"	309.15984	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+3H2O+2H"	56.04448
"1514028"	342.20239	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+IsoProp+H"	61.06479
"412254"	312.113788	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+Na+K"	61.952376
"776896"	452.682588	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+Na+K"	61.952376
"1669216"	171.544988	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Na+K"	61.952376
"255740"	626.290968	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+ACN+Na"	64.015768
"1234283"	345.153368	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+ACN+Na"	64.015768
"1720983"	345.176893	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+NH4+HCOOH"	64.039293
"1187434"	116.701751333333	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+3Na"	68.967654
"1656595"	350.132288	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Na+HCOOH"	68.994688
"159083"	639.19424	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+2K-H"	76.91904
"608849"	920.33184	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+2K-H"	76.91904
"1091539"	358.05664	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2K-H"	76.91904
"142397"	320.100758	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"2M+2K"	77.926316
"586090"	460.669558	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"3M+2K"	77.926316
"1069874"	179.531958	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2K"	77.926316
"1101019"	360.071192	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2K+H"	78.933592
"1340201"	360.158807	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+DMSO+H"	79.021207
"1006788"	364.197976	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2ACN+H"	83.060376
"1525641"	365.191608	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+IsoProp+Na+H"	84.054008
"992213"	182.602626	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+2ACN+2H"	84.067652
"1588292"	366.106228	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+K+HCOOH"	84.968628
"1416755"	396.137738	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+H+CF3COOH"	115.000138
"1150325"	203.115901	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+3ACN+2H"	125.094202
"1703157"	413.164285	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+NH4+CF3COOH"	132.026685
"1644277"	418.11968	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+Na+CF3COOH"	136.98208
"1578835"	434.09362	"C11019"	"Pendimethalin"	"C13H19N3O4"	"281.1376"	"M+K+CF3COOH"	152.95602
"815761"	233.9851	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M"	0
"982737"	214.96671	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-H2O-H"	-19.01839
"75355"	154.982790666667	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M-3H"	-3.021828
"509452"	232.977824	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M-3H"	-3.021828
"887255"	76.9877573333333	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-3H"	-3.021828
"6922"	232.977824	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M-2H"	-2.014552
"446484"	349.970374	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M-2H"	-2.014552
"826473"	115.985274	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-2H"	-2.014552
"87553"	466.962924	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M-H"	-1.007276
"522741"	700.948024	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M-H"	-1.007276
"900542"	232.977824	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-H"	-1.007276
"54916"	483.989471	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M-2H+NH4"	16.019271
"496664"	717.974571	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M-2H+NH4"	16.019271
"871547"	250.004371	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-2H+NH4"	16.019271
"39085"	488.944866	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M-2H+Na"	20.974666
"478650"	722.929966	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M-2H+Na"	20.974666
"854266"	254.959766	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-2H+Na"	20.974666
"1629269"	254.959766	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Na-2H"	20.974666
"102516"	250.966163	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M-H+Cl"	33.962126
"539895"	367.958713	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M-H+Cl"	33.962126
"932317"	133.973613	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-H+Cl"	33.962126
"268318"	502.939602	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+Cl"	34.969402
"661109"	736.924702	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+Cl"	34.969402
"1273179"	268.954502	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Cl"	34.969402
"23723"	504.918806	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M-2H+K"	36.948606
"464378"	738.903906	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M-2H+K"	36.948606
"844366"	270.933706	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-2H+K"	36.948606
"1562386"	270.933706	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+K-2H"	36.948606
"948083"	278.983294	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-H+HCOOH"	44.998194
"373954"	512.968401	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+HCOOH-H"	44.998201
"358931"	526.984051	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+Hac-H"	59.013851
"1504482"	292.998951	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Hac-H"	59.013851
"967648"	300.965251	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-H+NaCOOH"	66.980151
"117649"	268.954502	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+2Cl"	69.938804
"562677"	385.947052	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+2Cl"	69.938804
"1032573"	151.961952	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2Cl"	69.938804
"1252152"	312.903985	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Br"	78.918885
"1306944"	314.959972	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Cl+HCOOH"	80.974872
"1323352"	336.941929	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Cl+NaCOOH"	102.956829
"916964"	346.970686	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M-H+CF3COOH"	112.985586
"1293672"	382.947364	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Cl+CF3COOH"	148.962264
"1372561"	198.972424	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H-2H2O"	-35.012676
"1386048"	216.9824	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H-H2O"	-17.0027
"285735"	468.977476	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+H"	1.007276
"678886"	702.962576	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+H"	1.007276
"1357424"	234.992376	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H"	1.007276
"130309"	234.992376	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+2H"	2.014552
"567689"	351.984926	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+2H"	2.014552
"1040863"	117.999826	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2H"	2.014552
"208763"	156.997342666667	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+3H"	3.021828
"651603"	234.992376	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+3H"	3.021828
"1173011"	79.0023093333333	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+3H"	3.021828
"438470"	486.004023	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+NH4"	18.033823
"795093"	719.989123	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+NH4"	18.033823
"1692517"	252.018923	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+NH4"	18.033823
"337512"	243.5056495	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+H+NH4"	19.041099
"734306"	360.4981995	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+H+NH4"	19.041099
"1484846"	126.5130995	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H+NH4"	19.041099
"402433"	490.959418	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+Na"	22.989218
"760149"	724.944518	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+Na"	22.989218
"1609340"	256.974318	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Na"	22.989218
"318284"	245.983347	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+H+Na"	23.996494
"711800"	362.975897	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+H+Na"	23.996494
"1466715"	128.990797	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H+Na"	23.996494
"1057773"	86.3296233333333	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2H+Na"	25.00377
"1263827"	267.018586	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+CH3OH+H"	33.033486
"384590"	506.933358	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+K"	38.963158
"747772"	740.918458	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+K"	38.963158
"1552743"	272.948258	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+K"	38.963158
"311380"	253.970317	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+H+K"	39.970434
"701979"	370.962867	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+H+K"	39.970434
"1456163"	136.977767	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H+K"	39.970434
"249870"	510.004026	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+ACN+H"	42.033826
"1223672"	276.018926	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+ACN+H"	42.033826
"1208655"	138.513101	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+ACN+2H"	43.041102
"203431"	512.94136	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+2Na-H"	44.97116
"643843"	746.92646	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+2Na-H"	44.97116
"1146536"	278.95626	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2Na-H"	44.97116
"187515"	256.974318	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+2Na"	45.978436
"626710"	373.966868	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+2Na"	45.978436
"1130094"	139.981768	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2Na"	45.978436
"1408635"	93.6569373333333	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H+2Na"	46.985712
"1440026"	280.997846	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H+HCOOH"	47.012746
"233005"	262.00734	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+3H2O+2H"	56.04448
"1517055"	295.04989	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+IsoProp+H"	61.06479
"418930"	264.961288	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+Na+K"	61.952376
"781380"	381.953838	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+Na+K"	61.952376
"1674799"	147.968738	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Na+K"	61.952376
"261320"	531.985968	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+ACN+Na"	64.015768
"1236580"	298.000868	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+ACN+Na"	64.015768
"1720366"	298.024393	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+NH4+HCOOH"	64.039293
"1187544"	100.984251333333	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+3Na"	68.967654
"1659986"	302.979788	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Na+HCOOH"	68.994688
"163566"	544.88924	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+2K-H"	76.91904
"606043"	778.87434	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+2K-H"	76.91904
"1097118"	310.90414	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2K-H"	76.91904
"142507"	272.948258	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"2M+2K"	77.926316
"585108"	389.940808	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"3M+2K"	77.926316
"1071079"	155.955708	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2K"	77.926316
"1105018"	312.918692	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2K+H"	78.933592
"1337516"	313.006307	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+DMSO+H"	79.021207
"1006651"	317.045476	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2ACN+H"	83.060376
"1525507"	318.039108	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+IsoProp+Na+H"	84.054008
"989982"	159.026376	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+2ACN+2H"	84.067652
"1587794"	318.953728	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+K+HCOOH"	84.968628
"1416133"	348.985238	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+H+CF3COOH"	115.000138
"1150435"	179.539651	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+3ACN+2H"	125.094202
"1703267"	366.011785	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+NH4+CF3COOH"	132.026685
"1644387"	370.96718	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+Na+CF3COOH"	136.98208
"1578945"	386.94112	"C11020"	"24-DP;Dichlorprop;2-(24-Dichlorophenoxy)propionic acid"	"C9H8Cl2O3"	"233.9851"	"M+K+CF3COOH"	152.95602
"801498"	340.0269	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M"	0
"986127"	321.00851	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-H2O-H"	-19.01839
"75465"	225.677324	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M-3H"	-3.021828
"509562"	339.019624	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M-3H"	-3.021828
"892832"	112.335024	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-3H"	-3.021828
"5939"	339.019624	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M-2H"	-2.014552
"446594"	509.033074	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M-2H"	-2.014552
"823303"	169.006174	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-2H"	-2.014552
"86571"	679.046524	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M-H"	-1.007276
"525038"	1019.073424	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M-H"	-1.007276
"902841"	339.019624	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-H"	-1.007276
"53933"	696.073071	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M-2H+NH4"	16.019271
"494589"	1036.099971	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M-2H+NH4"	16.019271
"873482"	356.046171	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-2H+NH4"	16.019271
"39196"	701.028466	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M-2H+Na"	20.974666
"476937"	1041.055366	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M-2H+Na"	20.974666
"852553"	361.001566	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-2H+Na"	20.974666
"1631567"	361.001566	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Na-2H"	20.974666
"105910"	357.007963	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M-H+Cl"	33.962126
"544378"	527.021413	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M-H+Cl"	33.962126
"933520"	186.994513	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-H+Cl"	33.962126
"273169"	715.023202	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+Cl"	34.969402
"661339"	1055.050102	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+Cl"	34.969402
"1273624"	374.996302	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Cl"	34.969402
"18366"	717.002406	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M-2H+K"	36.948606
"457928"	1057.029306	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M-2H+K"	36.948606
"842290"	376.975506	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-2H+K"	36.948606
"1559217"	376.975506	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+K-2H"	36.948606
"947100"	385.025094	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-H+HCOOH"	44.998194
"371875"	725.052001	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+HCOOH-H"	44.998201
"351388"	739.067651	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+Hac-H"	59.013851
"1505686"	399.040751	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Hac-H"	59.013851
"965574"	407.007051	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-H+NaCOOH"	66.980151
"117761"	374.996302	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+2Cl"	69.938804
"561695"	545.009752	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+2Cl"	69.938804
"1032684"	204.982852	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2Cl"	69.938804
"1248980"	418.945785	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Br"	78.918885
"1307422"	421.001772	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Cl+HCOOH"	80.974872
"1322735"	442.983729	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Cl+NaCOOH"	102.956829
"912700"	453.012486	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M-H+CF3COOH"	112.985586
"1292326"	488.989164	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Cl+CF3COOH"	148.962264
"1373767"	305.014224	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H-2H2O"	-35.012676
"1387983"	323.0242	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H-H2O"	-17.0027
"286577"	681.061076	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+H"	1.007276
"683371"	1021.087976	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+H"	1.007276
"1357537"	341.034176	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H"	1.007276
"129694"	341.034176	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+2H"	2.014552
"568162"	511.047626	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+2H"	2.014552
"1040973"	171.020726	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2H"	2.014552
"207780"	227.691876	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+3H"	3.021828
"653903"	341.034176	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+3H"	3.021828
"1173855"	114.349576	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+3H"	3.021828
"437126"	698.087623	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+NH4"	18.033823
"798486"	1038.114523	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+NH4"	18.033823
"1687160"	358.060723	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+NH4"	18.033823
"336531"	349.5474495	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+H+NH4"	19.041099
"730045"	519.5608995	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+H+NH4"	19.041099
"1489332"	179.5339995	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H+NH4"	19.041099
"398535"	703.043018	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+Na"	22.989218
"759167"	1043.069918	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+Na"	22.989218
"1609452"	363.016118	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Na"	22.989218
"320582"	352.025147	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+H+Na"	23.996494
"711912"	522.038597	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+H+Na"	23.996494
"1467920"	182.011697	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H+Na"	23.996494
"1060072"	121.67689	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2H+Na"	25.00377
"1265029"	373.060386	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+CH3OH+H"	33.033486
"387982"	719.016958	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+K"	38.963158
"751164"	1059.043858	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+K"	38.963158
"1553217"	378.990058	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+K"	38.963158
"311487"	360.012117	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+H+K"	39.970434
"701722"	530.025567	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+H+K"	39.970434
"1457367"	189.998667	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H+K"	39.970434
"251158"	722.087626	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+ACN+H"	42.033826
"1224878"	382.060726	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+ACN+H"	42.033826
"1209251"	191.534001	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+ACN+2H"	43.041102
"203987"	725.02496	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+2Na-H"	44.97116
"643506"	1065.05186	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+2Na-H"	44.97116
"1146771"	384.99806	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2Na-H"	44.97116
"188225"	363.016118	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+2Na"	45.978436
"626821"	533.029568	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+2Na"	45.978436
"1130569"	193.002668	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2Na"	45.978436
"1407654"	129.004204	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H+2Na"	46.985712
"1439771"	387.039646	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H+HCOOH"	47.012746
"226187"	368.04914	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+3H2O+2H"	56.04448
"1512063"	401.09169	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+IsoProp+H"	61.06479
"413936"	371.003088	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+Na+K"	61.952376
"779305"	541.016538	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+Na+K"	61.952376
"1674541"	200.989638	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Na+K"	61.952376
"261066"	744.069568	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+ACN+Na"	64.015768
"1236330"	404.042668	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+ACN+Na"	64.015768
"1724489"	404.066193	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+NH4+HCOOH"	64.039293
"1186925"	136.331518	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+3Na"	68.967654
"1661190"	409.021588	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Na+HCOOH"	68.994688
"164771"	756.97284	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+2K-H"	76.91904
"610530"	1096.99974	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+2K-H"	76.91904
"1097229"	416.94594	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2K-H"	76.91904
"152585"	378.990058	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"2M+2K"	77.926316
"583034"	549.003508	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"3M+2K"	77.926316
"1075200"	208.976608	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2K"	77.926316
"1104036"	418.960492	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2K+H"	78.933592
"1343701"	419.048107	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+DMSO+H"	79.021207
"1007127"	423.087276	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2ACN+H"	83.060376
"1530359"	424.080908	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+IsoProp+Na+H"	84.054008
"992434"	212.047276	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+2ACN+2H"	84.067652
"1587022"	424.995528	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+K+HCOOH"	84.968628
"1417339"	455.027038	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+H+CF3COOH"	115.000138
"1150545"	232.560551	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+3ACN+2H"	125.094202
"1703377"	472.053585	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+NH4+CF3COOH"	132.026685
"1646684"	477.00898	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+Na+CF3COOH"	136.98208
"1579055"	492.98292	"C11021"	"Diclofop methyl"	"C16H14Cl2O4"	"340.0269"	"M+K+CF3COOH"	152.95602
"806138"	332.096	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M"	0
"986237"	313.07761	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-H2O-H"	-19.01839
"75575"	220.390057333333	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M-3H"	-3.021828
"512952"	331.088724	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M-3H"	-3.021828
"890755"	109.691390666667	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-3H"	-3.021828
"9329"	331.088724	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M-2H"	-2.014552
"447795"	497.136724	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M-2H"	-2.014552
"827788"	165.040724	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-2H"	-2.014552
"87780"	663.184724	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M-H"	-1.007276
"524055"	995.280724	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M-H"	-1.007276
"901862"	331.088724	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-H"	-1.007276
"56231"	680.211271	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M-2H+NH4"	16.019271
"493604"	1012.307271	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M-2H+NH4"	16.019271
"870311"	348.115271	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-2H+NH4"	16.019271
"39307"	685.166666	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M-2H+Na"	20.974666
"479966"	1017.262666	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M-2H+Na"	20.974666
"862145"	353.070666	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-2H+Na"	20.974666
"1631680"	353.070666	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Na-2H"	20.974666
"101646"	349.077063	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M-H+Cl"	33.962126
"545580"	515.125063	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M-H+Cl"	33.962126
"933630"	183.029063	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-H+Cl"	33.962126
"276559"	699.161402	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+Cl"	34.969402
"663516"	1031.257402	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+Cl"	34.969402
"1273734"	367.065402	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Cl"	34.969402
"16407"	701.140606	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M-2H+K"	36.948606
"458038"	1033.236606	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M-2H+K"	36.948606
"835840"	369.044606	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-2H+K"	36.948606
"1559327"	369.044606	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+K-2H"	36.948606
"945023"	377.094194	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-H+HCOOH"	44.998194
"369800"	709.190201	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+HCOOH-H"	44.998201
"354776"	723.205851	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+Hac-H"	59.013851
"1504704"	391.109851	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Hac-H"	59.013851
"968967"	399.076151	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-H+NaCOOH"	66.980151
"124433"	367.065402	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+2Cl"	69.938804
"563271"	533.113402	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+2Cl"	69.938804
"1027327"	201.017402	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2Cl"	69.938804
"1246903"	411.014885	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Br"	78.918885
"1308262"	413.070872	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Cl+HCOOH"	80.974872
"1329042"	435.052829	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Cl+NaCOOH"	102.956829
"913175"	445.081586	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M-H+CF3COOH"	112.985586
"1290977"	481.058264	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Cl+CF3COOH"	148.962264
"1371691"	297.083324	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H-2H2O"	-35.012676
"1388093"	315.0933	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H-H2O"	-17.0027
"285592"	665.199276	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+H"	1.007276
"677285"	997.295276	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+H"	1.007276
"1355822"	333.103276	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H"	1.007276
"128346"	333.103276	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+2H"	2.014552
"568637"	499.151276	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+2H"	2.014552
"1044363"	167.055276	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2H"	2.014552
"217004"	222.404609333333	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+3H"	3.021828
"657661"	333.103276	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+3H"	3.021828
"1173235"	111.705942666667	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+3H"	3.021828
"435414"	682.225823	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+NH4"	18.033823
"795316"	1014.321823	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+NH4"	18.033823
"1690552"	350.129823	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+NH4"	18.033823
"334455"	341.6165495	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+H+NH4"	19.041099
"730154"	507.6645495	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+H+NH4"	19.041099
"1485068"	175.5685495	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H+NH4"	19.041099
"397189"	687.181218	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+Na"	22.989218
"761465"	1019.277218	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+Na"	22.989218
"1611750"	355.085218	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Na"	22.989218
"320697"	344.094247	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+H+Na"	23.996494
"716396"	510.142247	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+H+Na"	23.996494
"1462441"	178.046247	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H+Na"	23.996494
"1056901"	119.033256666667	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2H+Na"	25.00377
"1261861"	365.129486	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+CH3OH+H"	33.033486
"384811"	703.155158	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+K"	38.963158
"749087"	1035.251158	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+K"	38.963158
"1552236"	371.059158	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+K"	38.963158
"312329"	352.081217	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+H+K"	39.970434
"701832"	518.129217	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+H+K"	39.970434
"1456382"	186.033217	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H+K"	39.970434
"245348"	706.225826	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+ACN+H"	42.033826
"1224018"	374.129826	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+ACN+H"	42.033826
"1208631"	187.568551	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+ACN+2H"	43.041102
"203448"	709.16316	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+2Na-H"	44.97116
"643010"	1041.25916	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+2Na-H"	44.97116
"1143718"	377.06716	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2Na-H"	44.97116
"185549"	355.085218	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+2Na"	45.978436
"624013"	521.133218	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+2Na"	45.978436
"1125698"	189.037218	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2Na"	45.978436
"1407399"	126.360570666667	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H+2Na"	46.985712
"1438787"	379.108746	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H+HCOOH"	47.012746
"226296"	360.11824	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+3H2O+2H"	56.04448
"1514360"	393.16079	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+IsoProp+H"	61.06479
"411853"	363.072188	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+Na+K"	61.952376
"772853"	529.120188	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+Na+K"	61.952376
"1674657"	197.024188	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Na+K"	61.952376
"261177"	728.207768	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+ACN+Na"	64.015768
"1230605"	396.111768	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+ACN+Na"	64.015768
"1721678"	396.135293	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+NH4+HCOOH"	64.039293
"1190315"	133.687884666667	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+3Na"	68.967654
"1659115"	401.090688	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Na+HCOOH"	68.994688
"171081"	741.11104	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+2K-H"	76.91904
"608817"	1073.20704	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+2K-H"	76.91904
"1098922"	409.01504	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2K-H"	76.91904
"151237"	371.059158	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"2M+2K"	77.926316
"590798"	537.107158	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"3M+2K"	77.926316
"1075313"	205.011158	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2K"	77.926316
"1113622"	411.029592	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2K+H"	78.933592
"1340532"	411.117207	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+DMSO+H"	79.021207
"1009063"	415.156376	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2ACN+H"	83.060376
"1530469"	416.150008	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+IsoProp+Na+H"	84.054008
"994730"	208.081826	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+2ACN+2H"	84.067652
"1589234"	417.064628	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+K+HCOOH"	84.968628
"1417085"	447.096138	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+H+CF3COOH"	115.000138
"1148102"	228.595101	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+3ACN+2H"	125.094202
"1704580"	464.122685	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+NH4+CF3COOH"	132.026685
"1647887"	469.07808	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+Na+CF3COOH"	136.98208
"1579165"	485.05202	"C11022"	"Butamifos;Cremart"	"C13H21N2O4PS"	"332.096"	"M+K+CF3COOH"	152.95602
"802600"	332.096	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M"	0
"986347"	313.07761	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-H2O-H"	-19.01839
"74592"	220.390057333333	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M-3H"	-3.021828
"511969"	331.088724	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M-3H"	-3.021828
"890500"	109.691390666667	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-3H"	-3.021828
"10533"	331.088724	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M-2H"	-2.014552
"453738"	497.136724	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M-2H"	-2.014552
"827898"	165.040724	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-2H"	-2.014552
"83516"	663.184724	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M-H"	-1.007276
"526355"	995.280724	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M-H"	-1.007276
"901972"	331.088724	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-H"	-1.007276
"54156"	680.211271	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M-2H+NH4"	16.019271
"493719"	1012.307271	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M-2H+NH4"	16.019271
"870426"	348.115271	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-2H+NH4"	16.019271
"39422"	685.166666	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M-2H+Na"	20.974666
"478984"	1017.262666	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M-2H+Na"	20.974666
"857880"	353.070666	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-2H+Na"	20.974666
"1630696"	353.070666	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Na-2H"	20.974666
"103942"	349.077063	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M-H+Cl"	33.962126
"548244"	515.125063	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M-H+Cl"	33.962126
"931553"	183.029063	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-H+Cl"	33.962126
"278857"	699.161402	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+Cl"	34.969402
"670187"	1031.257402	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+Cl"	34.969402
"1272916"	367.065402	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Cl"	34.969402
"22959"	701.140606	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M-2H+K"	36.948606
"458148"	1033.236606	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M-2H+K"	36.948606
"839230"	369.044606	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-2H+K"	36.948606
"1564904"	369.044606	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+K-2H"	36.948606
"945132"	377.094194	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-H+HCOOH"	44.998194
"366631"	709.190201	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+HCOOH-H"	44.998201
"360603"	723.205851	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+Hac-H"	59.013851
"1502628"	391.109851	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Hac-H"	59.013851
"969077"	399.076151	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-H+NaCOOH"	66.980151
"121264"	367.065402	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+2Cl"	69.938804
"564105"	533.113402	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+2Cl"	69.938804
"1027439"	201.017402	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2Cl"	69.938804
"1248109"	411.014885	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Br"	78.918885
"1308736"	413.070872	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Cl+HCOOH"	80.974872
"1332069"	435.052829	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Cl+NaCOOH"	102.956829
"916933"	445.081586	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M-H+CF3COOH"	112.985586
"1291455"	481.058264	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Cl+CF3COOH"	148.962264
"1380184"	297.083324	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H-2H2O"	-35.012676
"1391484"	315.0933	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H-H2O"	-17.0027
"290077"	665.199276	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+H"	1.007276
"681405"	997.295276	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+H"	1.007276
"1356660"	333.103276	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H"	1.007276
"129553"	333.103276	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+2H"	2.014552
"569113"	499.151276	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+2H"	2.014552
"1044473"	167.055276	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2H"	2.014552
"213469"	222.404609333333	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+3H"	3.021828
"653761"	333.103276	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+3H"	3.021828
"1174441"	111.705942666667	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+3H"	3.021828
"435160"	682.225823	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+NH4"	18.033823
"797250"	1014.321823	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+NH4"	18.033823
"1691029"	350.129823	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+NH4"	18.033823
"334566"	341.6165495	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+H+NH4"	19.041099
"731357"	507.6645495	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+H+NH4"	19.041099
"1481899"	175.5685495	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H+NH4"	19.041099
"399485"	687.181218	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+Na"	22.989218
"764128"	1019.277218	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+Na"	22.989218
"1609673"	355.085218	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Na"	22.989218
"321897"	344.094247	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+H+Na"	23.996494
"711038"	510.142247	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+H+Na"	23.996494
"1461699"	178.046247	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H+Na"	23.996494
"1059200"	119.033256666667	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2H+Na"	25.00377
"1264158"	365.129486	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+CH3OH+H"	33.033486
"386014"	703.155158	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+K"	38.963158
"749197"	1035.251158	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+K"	38.963158
"1550157"	371.059158	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+K"	38.963158
"309887"	352.081217	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+H+K"	39.970434
"699754"	518.129217	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+H+K"	39.970434
"1451388"	186.033217	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H+K"	39.970434
"244364"	706.225826	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+ACN+H"	42.033826
"1221815"	374.129826	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+ACN+H"	42.033826
"1207894"	187.568551	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+ACN+2H"	43.041102
"203556"	709.16316	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+2Na-H"	44.97116
"642752"	1041.25916	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+2Na-H"	44.97116
"1140181"	377.06716	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2Na-H"	44.97116
"184929"	355.085218	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+2Na"	45.978436
"623397"	521.133218	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+2Na"	45.978436
"1123257"	189.037218	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2Na"	45.978436
"1405687"	126.360570666667	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H+2Na"	46.985712
"1436709"	379.108746	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H+HCOOH"	47.012746
"224219"	360.11824	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+3H2O+2H"	56.04448
"1514470"	393.16079	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+IsoProp+H"	61.06479
"413067"	363.072188	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+Na+K"	61.952376
"778436"	529.120188	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+Na+K"	61.952376
"1679875"	197.024188	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Na+K"	61.952376
"260195"	728.207768	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+ACN+Na"	64.015768
"1233995"	396.111768	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+ACN+Na"	64.015768
"1718508"	396.135293	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+NH4+HCOOH"	64.039293
"1189334"	133.687884666667	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+3Na"	68.967654
"1664330"	401.090688	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Na+HCOOH"	68.994688
"172168"	741.11104	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+2K-H"	76.91904
"610750"	1073.20704	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+2K-H"	76.91904
"1099642"	409.01504	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2K-H"	76.91904
"154627"	371.059158	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"2M+2K"	77.926316
"593824"	537.107158	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"3M+2K"	77.926316
"1079797"	205.011158	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2K"	77.926316
"1114706"	411.029592	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2K+H"	78.933592
"1343923"	411.117207	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+DMSO+H"	79.021207
"1012457"	415.156376	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2ACN+H"	83.060376
"1525114"	416.150008	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+IsoProp+Na+H"	84.054008
"994111"	208.081826	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+2ACN+2H"	84.067652
"1588614"	417.064628	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+K+HCOOH"	84.968628
"1417195"	447.096138	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+H+CF3COOH"	115.000138
"1147484"	228.595101	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+3ACN+2H"	125.094202
"1704690"	464.122685	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+NH4+CF3COOH"	132.026685
"1647997"	469.07808	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+Na+CF3COOH"	136.98208
"1579275"	485.05202	"C11023"	"O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate"	"C13H21N2O4PS"	"332.096"	"M+K+CF3COOH"	152.95602
"803078"	361.0717	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M"	0
"982087"	342.05331	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-H2O-H"	-19.01839
"74702"	239.707190666667	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M-3H"	-3.021828
"515359"	360.064424	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M-3H"	-3.021828
"892066"	119.349957333333	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-3H"	-3.021828
"8457"	360.064424	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M-2H"	-2.014552
"451296"	540.600274	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M-2H"	-2.014552
"823631"	179.528574	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-2H"	-2.014552
"82531"	721.136124	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M-H"	-1.007276
"526466"	1082.207824	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M-H"	-1.007276
"898802"	360.064424	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-H"	-1.007276
"49896"	738.162671	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M-2H+NH4"	16.019271
"494922"	1099.234371	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M-2H+NH4"	16.019271
"868350"	377.090971	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-2H+NH4"	16.019271
"35158"	743.118066	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M-2H+Na"	20.974666
"476906"	1104.189766	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M-2H+Na"	20.974666
"856897"	382.046366	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-2H+Na"	20.974666
"1630080"	382.046366	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Na-2H"	20.974666
"106971"	378.052763	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M-H+Cl"	33.962126
"546533"	558.588613	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M-H+Cl"	33.962126
"937131"	197.516913	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-H+Cl"	33.962126
"276781"	757.112802	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+Cl"	34.969402
"667018"	1118.184502	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+Cl"	34.969402
"1275047"	396.041102	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Cl"	34.969402
"17602"	759.092006	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M-2H+K"	36.948606
"456068"	1120.163706	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M-2H+K"	36.948606
"834238"	398.020306	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-2H+K"	36.948606
"1559550"	398.020306	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+K-2H"	36.948606
"950711"	406.069894	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-H+HCOOH"	44.998194
"367833"	767.141601	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+HCOOH-H"	44.998201
"354996"	781.157251	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+Hac-H"	59.013851
"1504923"	420.085551	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Hac-H"	59.013851
"965907"	428.051851	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-H+NaCOOH"	66.980151
"112264"	396.041102	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+2Cl"	69.938804
"551095"	576.576952	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+2Cl"	69.938804
"1027547"	215.505252	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2Cl"	69.938804
"1246033"	439.990585	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Br"	78.918885
"1316869"	442.046572	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Cl+HCOOH"	80.974872
"1333638"	464.028529	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Cl+NaCOOH"	102.956829
"919231"	474.057286	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M-H+CF3COOH"	112.985586
"1294847"	510.033964	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Cl+CF3COOH"	148.962264
"1373004"	326.059024	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H-2H2O"	-35.012676
"1385033"	344.069	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H-H2O"	-17.0027
"285813"	723.150676	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+H"	1.007276
"679327"	1084.222376	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+H"	1.007276
"1355675"	362.078976	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H"	1.007276
"130756"	362.078976	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+2H"	2.014552
"570320"	542.614826	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+2H"	2.014552
"1039116"	181.543126	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2H"	2.014552
"213579"	241.721742666667	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+3H"	3.021828
"650956"	362.078976	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+3H"	3.021828
"1167988"	121.364509333333	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+3H"	3.021828
"436363"	740.177223	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+NH4"	18.033823
"794444"	1101.248923	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+NH4"	18.033823
"1692597"	379.105523	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+NH4"	18.033823
"337956"	370.5922495	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+H+NH4"	19.041099
"731468"	551.1280995	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+H+NH4"	19.041099
"1483102"	190.0563995	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H+NH4"	19.041099
"397772"	745.132618	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+Na"	22.989218
"762779"	1106.204318	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+Na"	22.989218
"1611968"	384.060918	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Na"	22.989218
"322006"	373.069947	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+H+Na"	23.996494
"710056"	553.605797	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+H+Na"	23.996494
"1463510"	192.534097	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H+Na"	23.996494
"1056392"	128.691823333333	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2H+Na"	25.00377
"1262081"	394.105186	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+CH3OH+H"	33.033486
"383938"	761.106558	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+K"	38.963158
"747123"	1122.178258	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+K"	38.963158
"1551364"	400.034858	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+K"	38.963158
"308538"	381.056917	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+H+K"	39.970434
"700960"	561.592767	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+H+K"	39.970434
"1451500"	200.521067	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H+K"	39.970434
"250311"	764.177226	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+ACN+H"	42.033826
"1223386"	403.105526	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+ACN+H"	42.033826
"1207277"	202.056401	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+ACN+2H"	43.041102
"203423"	767.11456	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+2Na-H"	44.97116
"642254"	1128.18626	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+2Na-H"	44.97116
"1143571"	406.04286	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2Na-H"	44.97116
"184312"	384.060918	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+2Na"	45.978436
"623142"	564.596768	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+2Na"	45.978436
"1124459"	203.525068	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2Na"	45.978436
"1403610"	136.019137333333	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H+2Na"	46.985712
"1430743"	408.084446	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H+HCOOH"	47.012746
"223237"	389.09394	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+3H2O+2H"	56.04448
"1508993"	422.13649	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+IsoProp+H"	61.06479
"420104"	392.047888	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+Na+K"	61.952376
"780735"	572.583738	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+Na+K"	61.952376
"1675972"	211.512038	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Na+K"	61.952376
"262129"	786.159168	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+ACN+Na"	64.015768
"1231921"	425.087468	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+ACN+Na"	64.015768
"1722994"	425.110993	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+NH4+HCOOH"	64.039293
"1192725"	143.346451333333	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+3Na"	68.967654
"1659335"	430.066388	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Na+HCOOH"	68.994688
"169476"	799.06244	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+2K-H"	76.91904
"609035"	1160.13414	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+2K-H"	76.91904
"1097194"	437.99074	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2K-H"	76.91904
"154738"	400.034858	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"2M+2K"	77.926316
"587741"	580.570708	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"3M+2K"	77.926316
"1075534"	219.499008	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2K"	77.926316
"1106556"	440.005292	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2K+H"	78.933592
"1341849"	440.092907	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+DMSO+H"	79.021207
"1012565"	444.132076	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2ACN+H"	83.060376
"1529597"	445.125708	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+IsoProp+Na+H"	84.054008
"991669"	222.569676	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+2ACN+2H"	84.067652
"1589451"	446.040328	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+K+HCOOH"	84.968628
"1414509"	476.071838	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+H+CF3COOH"	115.000138
"1147099"	243.082951	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+3ACN+2H"	125.094202
"1703708"	493.098385	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+NH4+CF3COOH"	132.026685
"1644827"	498.05378	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+Na+CF3COOH"	136.98208
"1579385"	514.02772	"C11024"	"Fenoxaprop-ethyl;Fenoxaprop ethyl"	"C18H16ClNO5"	"361.0717"	"M+K+CF3COOH"	152.95602
"809749"	362.0145	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M"	0
"983281"	342.99611	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-H2O-H"	-19.01839
"71532"	240.335724	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M-3H"	-3.021828
"514372"	361.007224	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M-3H"	-3.021828
"886707"	119.664224	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-3H"	-3.021828
"6377"	361.007224	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M-2H"	-2.014552
"450313"	542.014474	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M-2H"	-2.014552
"827019"	179.999974	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-2H"	-2.014552
"82642"	723.021724	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M-H"	-1.007276
"523296"	1085.036224	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M-H"	-1.007276
"899276"	361.007224	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-H"	-1.007276
"50006"	740.048271	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M-2H+NH4"	16.019271
"493940"	1102.062771	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M-2H+NH4"	16.019271
"868460"	378.033771	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-2H+NH4"	16.019271
"36361"	745.003666	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M-2H+Na"	20.974666
"478111"	1107.018166	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M-2H+Na"	20.974666
"861382"	382.989166	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-2H+Na"	20.974666
"1632013"	382.989166	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Na-2H"	20.974666
"107811"	378.995563	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M-H+Cl"	33.962126
"547374"	560.002813	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M-H+Cl"	33.962126
"939428"	197.988313	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-H+Cl"	33.962126
"280171"	758.998402	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+Cl"	34.969402
"667128"	1121.012902	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+Cl"	34.969402
"1274304"	396.983902	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Cl"	34.969402
"20994"	760.977606	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M-2H+K"	36.948606
"459462"	1122.992106	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M-2H+K"	36.948606
"839451"	398.963106	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-2H+K"	36.948606
"1559659"	398.963106	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+K-2H"	36.948606
"948635"	407.012694	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-H+HCOOH"	44.998194
"366121"	769.027201	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+HCOOH-H"	44.998201
"351827"	783.042851	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+Hac-H"	59.013851
"1502847"	421.028351	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Hac-H"	59.013851
"964193"	428.994651	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-H+NaCOOH"	66.980151
"113101"	396.983902	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+2Cl"	69.938804
"551568"	577.991152	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+2Cl"	69.938804
"1022553"	215.976652	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2Cl"	69.938804
"1244684"	440.933385	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Br"	78.918885
"1315155"	442.989372	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Cl+HCOOH"	80.974872
"1334842"	464.971329	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Cl+NaCOOH"	102.956829
"923710"	475.000086	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M-H+CF3COOH"	112.985586
"1294957"	510.976764	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Cl+CF3COOH"	148.962264
"1374208"	327.001824	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H-2H2O"	-35.012676
"1387331"	345.0118	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H-H2O"	-17.0027
"285559"	725.036276	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+H"	1.007276
"680530"	1087.050776	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+H"	1.007276
"1355785"	363.021776	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H"	1.007276
"133053"	363.021776	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+2H"	2.014552
"570430"	544.029026	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+2H"	2.014552
"1042507"	182.014526	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2H"	2.014552
"212596"	242.350276	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+3H"	3.021828
"655440"	363.021776	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+3H"	3.021828
"1173568"	121.678776	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+3H"	3.021828
"437932"	742.062823	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+NH4"	18.033823
"794554"	1104.077323	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+NH4"	18.033823
"1694895"	380.048323	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+NH4"	18.033823
"340253"	371.5350495	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+H+NH4"	19.041099
"733767"	552.5422995	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+H+NH4"	19.041099
"1486493"	190.5277995	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H+NH4"	19.041099
"397520"	747.018218	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+Na"	22.989218
"763982"	1109.032718	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+Na"	22.989218
"1608798"	385.003718	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Na"	22.989218
"318837"	374.012747	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+H+Na"	23.996494
"710166"	555.019997	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+H+Na"	23.996494
"1463256"	193.005497	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H+Na"	23.996494
"1056139"	129.00609	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2H+Na"	25.00377
"1258303"	395.047986	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+CH3OH+H"	33.033486
"387328"	762.992158	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+K"	38.963158
"747231"	1125.006658	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+K"	38.963158
"1549286"	400.977658	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+K"	38.963158
"304274"	381.999717	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+H+K"	39.970434
"696696"	563.006967	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+H+K"	39.970434
"1449423"	200.992467	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H+K"	39.970434
"250662"	766.062826	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+ACN+H"	42.033826
"1222766"	404.048326	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+ACN+H"	42.033826
"1208598"	202.527801	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+ACN+2H"	43.041102
"203657"	769.00016	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+2Na-H"	44.97116
"641636"	1131.01466	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+2Na-H"	44.97116
"1143681"	406.98566	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2Na-H"	44.97116
"184785"	385.003718	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+2Na"	45.978436
"622157"	566.010968	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+2Na"	45.978436
"1122382"	203.996468	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2Na"	45.978436
"1405907"	136.333404	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H+2Na"	46.985712
"1430734"	409.027246	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H+HCOOH"	47.012746
"222255"	390.03674	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+3H2O+2H"	56.04448
"1510319"	423.07929	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+IsoProp+H"	61.06479
"419849"	392.990688	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+Na+K"	61.952376
"781938"	573.997938	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+Na+K"	61.952376
"1674989"	211.983438	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Na+K"	61.952376
"263697"	788.044768	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+ACN+Na"	64.015768
"1230937"	426.030268	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+ACN+Na"	64.015768
"1723104"	426.053793	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+NH4+HCOOH"	64.039293
"1190646"	143.660718	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+3Na"	68.967654
"1662726"	431.009188	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Na+HCOOH"	68.994688
"169586"	800.94804	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+2K-H"	76.91904
"605865"	1162.96254	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+2K-H"	76.91904
"1095846"	438.93354	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2K-H"	76.91904
"154848"	400.977658	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"2M+2K"	77.926316
"588944"	581.984908	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"3M+2K"	77.926316
"1075644"	219.970408	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2K"	77.926316
"1103384"	440.948092	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2K+H"	78.933592
"1347427"	441.035707	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+DMSO+H"	79.021207
"1012676"	445.074876	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2ACN+H"	83.060376
"1527519"	446.068508	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+IsoProp+Na+H"	84.054008
"998343"	223.041076	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+2ACN+2H"	84.067652
"1589564"	446.983128	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+K+HCOOH"	84.968628
"1415592"	477.014638	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+H+CF3COOH"	115.000138
"1149892"	243.554351	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+3ACN+2H"	125.094202
"1703818"	494.041185	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+NH4+CF3COOH"	132.026685
"1644937"	498.99658	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+Na+CF3COOH"	136.98208
"1579495"	514.97052	"C11025"	"Coumaphos"	"C14H16ClO5PS"	"362.0145"	"M+K+CF3COOH"	152.95602
"803298"	724.0289	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M"	0
"980111"	705.01051	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H2O-H"	-19.01839
"71643"	481.678657333333	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-3H"	-3.021828
"507921"	723.021624	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-3H"	-3.021828
"892287"	240.335690666667	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-3H"	-3.021828
"8677"	723.021624	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H"	-2.014552
"449329"	1085.036074	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H"	-2.014552
"826036"	361.007174	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H"	-2.014552
"83845"	1447.050524	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-H"	-1.007276
"526686"	2171.079424	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-H"	-1.007276
"899022"	723.021624	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H"	-1.007276
"53396"	1464.077071	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H+NH4"	16.019271
"494050"	2188.105971	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H+NH4"	16.019271
"866384"	740.048171	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H+NH4"	16.019271
"36471"	1469.032466	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H+Na"	20.974666
"478221"	2193.061366	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H+Na"	20.974666
"862953"	745.003566	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H+Na"	20.974666
"1632730"	745.003566	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na-2H"	20.974666
"109378"	741.009963	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-H+Cl"	33.962126
"546755"	1103.024413	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-H+Cl"	33.962126
"941725"	378.995513	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+Cl"	33.962126
"279189"	1483.027202	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Cl"	34.969402
"667238"	2207.056102	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+Cl"	34.969402
"1273686"	758.998302	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl"	34.969402
"18186"	1485.006406	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H+K"	36.948606
"458842"	2209.035306	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H+K"	36.948606
"838467"	760.977506	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H+K"	36.948606
"1559769"	760.977506	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K-2H"	36.948606
"948745"	769.027094	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+HCOOH"	44.998194
"366961"	1493.056001	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+HCOOH-H"	44.998201
"355218"	1507.071651	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Hac-H"	59.013851
"1502956"	783.042751	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Hac-H"	59.013851
"968313"	791.009051	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+NaCOOH"	66.980151
"112847"	758.998302	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2Cl"	69.938804
"553138"	1121.012752	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2Cl"	69.938804
"1025581"	396.983852	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2Cl"	69.938804
"1245158"	802.947785	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Br"	78.918885
"1315265"	805.003772	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl+HCOOH"	80.974872
"1333856"	826.985729	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl+NaCOOH"	102.956829
"923820"	837.014486	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+CF3COOH"	112.985586
"1295067"	872.991164	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl+CF3COOH"	148.962264
"1374319"	689.016224	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H-2H2O"	-35.012676
"1390722"	707.0262	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H-H2O"	-17.0027
"288222"	1449.065076	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H"	1.007276
"679912"	2173.093976	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H"	1.007276
"1354803"	725.036176	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H"	1.007276
"133163"	725.036176	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2H"	2.014552
"572727"	1087.050626	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2H"	2.014552
"1043712"	363.021726	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2H"	2.014552
"212708"	483.693209333333	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+3H"	3.021828
"655917"	725.036176	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+3H"	3.021828
"1173677"	242.350242666667	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+3H"	3.021828
"434763"	1466.091623	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+NH4"	18.033823
"799041"	2190.120523	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+NH4"	18.033823
"1695370"	742.062723	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+NH4"	18.033823
"342187"	733.5494495	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H+NH4"	19.041099
"733878"	1095.5638995	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H+NH4"	19.041099
"1483323"	371.5349995	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+NH4"	19.041099
"400911"	1471.047018	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Na"	22.989218
"762999"	2195.075918	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+Na"	22.989218
"1605632"	747.018118	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na"	22.989218
"317126"	736.027147	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H+Na"	23.996494
"709547"	1098.041597	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H+Na"	23.996494
"1465189"	374.012697	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+Na"	23.996494
"1058436"	249.677556666667	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2H+Na"	25.00377
"1264490"	757.062386	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+CH3OH+H"	33.033486
"387438"	1487.020958	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+K"	38.963158
"746248"	2211.049858	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+K"	38.963158
"1547207"	762.992058	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K"	38.963158
"309852"	744.014117	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H+K"	39.970434
"700087"	1106.028567	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H+K"	39.970434
"1453908"	381.999667	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+K"	39.970434
"251266"	1490.091626	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+ACN+H"	42.033826
"1221790"	766.062726	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+ACN+H"	42.033826
"1207984"	383.535001	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+ACN+2H"	43.041102
"201825"	1493.02896	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2Na-H"	44.97116
"642839"	2217.05786	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2Na-H"	44.97116
"1142699"	769.00006	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2Na-H"	44.97116
"180522"	747.018118	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2Na"	45.978436
"622267"	1109.032568	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2Na"	45.978436
"1121400"	385.003668	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2Na"	45.978436
"1410391"	257.004870666667	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+2Na"	46.985712
"1431573"	771.041646	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+HCOOH"	47.012746
"222728"	752.05114	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+3H2O+2H"	56.04448
"1516991"	785.09369	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+IsoProp+H"	61.06479
"418867"	755.005088	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Na+K"	61.952376
"778769"	1117.019538	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+Na+K"	61.952376
"1675100"	392.990638	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na+K"	61.952376
"258340"	1512.073568	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+ACN+Na"	64.015768
"1231047"	788.044668	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+ACN+Na"	64.015768
"1719934"	788.068193	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+NH4+HCOOH"	64.039293
"1188570"	264.332184666667	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+3Na"	68.967654
"1661743"	793.023588	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na+HCOOH"	68.994688
"171888"	1524.97684	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2K-H"	76.91904
"609256"	2249.00574	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2K-H"	76.91904
"1097049"	800.94794	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2K-H"	76.91904
"153866"	762.992058	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2K"	77.926316
"591241"	1125.006508	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2K"	77.926316
"1077942"	400.977608	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2K"	77.926316
"1104587"	802.962492	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2K+H"	78.933592
"1348631"	803.050107	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+DMSO+H"	79.021207
"1014973"	807.089276	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2ACN+H"	83.060376
"1532004"	808.082908	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+IsoProp+Na+H"	84.054008
"997359"	404.048276	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2ACN+2H"	84.067652
"1590767"	808.997528	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K+HCOOH"	84.968628
"1416433"	839.029038	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+CF3COOH"	115.000138
"1156563"	424.561551	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+3ACN+2H"	125.094202
"1703928"	856.055585	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+NH4+CF3COOH"	132.026685
"1641767"	861.01098	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na+CF3COOH"	136.98208
"1579605"	876.98492	"C11026"	"Coumaphos anti-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K+CF3COOH"	152.95602
"802069"	724.0289	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M"	0
"975846"	705.01051	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H2O-H"	-19.01839
"69558"	481.678657333333	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-3H"	-3.021828
"509124"	723.021624	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-3H"	-3.021828
"886926"	240.335690666667	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-3H"	-3.021828
"13161"	723.021624	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H"	-2.014552
"451625"	1085.036074	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H"	-2.014552
"831249"	361.007174	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H"	-2.014552
"89421"	1447.050524	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-H"	-1.007276
"528981"	2171.079424	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-H"	-1.007276
"903505"	723.021624	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H"	-1.007276
"56785"	1464.077071	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H+NH4"	16.019271
"496347"	2188.105971	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H+NH4"	16.019271
"874148"	740.048171	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H+NH4"	16.019271
"39863"	1469.032466	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H+Na"	20.974666
"478331"	2193.061366	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H+Na"	20.974666
"863876"	745.003566	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H+Na"	20.974666
"1632115"	745.003566	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na-2H"	20.974666
"108642"	741.009963	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-H+Cl"	33.962126
"547230"	1103.024413	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-H+Cl"	33.962126
"940381"	378.995513	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+Cl"	33.962126
"280393"	1483.027202	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Cl"	34.969402
"670628"	2207.056102	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+Cl"	34.969402
"1274645"	758.998302	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl"	34.969402
"18174"	1485.006406	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M-2H+K"	36.948606
"460775"	2209.035306	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M-2H+K"	36.948606
"838577"	760.977506	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-2H+K"	36.948606
"1563159"	760.977506	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K-2H"	36.948606
"952135"	769.027094	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+HCOOH"	44.998194
"367070"	1493.056001	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+HCOOH-H"	44.998201
"353141"	1507.071651	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Hac-H"	59.013851
"1498325"	783.042751	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Hac-H"	59.013851
"972795"	791.009051	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+NaCOOH"	66.980151
"113686"	758.998302	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2Cl"	69.938804
"555800"	1121.012752	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2Cl"	69.938804
"1025325"	396.983852	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2Cl"	69.938804
"1248913"	802.947785	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Br"	78.918885
"1309907"	805.003772	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl+HCOOH"	80.974872
"1328497"	826.985729	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl+NaCOOH"	102.956829
"923930"	837.014486	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M-H+CF3COOH"	112.985586
"1295177"	872.991164	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Cl+CF3COOH"	148.962264
"1374429"	689.016224	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H-2H2O"	-35.012676
"1393748"	707.0262	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H-H2O"	-17.0027
"289060"	1449.065076	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H"	1.007276
"680751"	2173.093976	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H"	1.007276
"1357099"	725.036176	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H"	1.007276
"133273"	725.036176	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2H"	2.014552
"575023"	1087.050626	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2H"	2.014552
"1044915"	363.021726	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2H"	2.014552
"215005"	483.693209333333	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+3H"	3.021828
"657487"	725.036176	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+3H"	3.021828
"1173787"	242.350242666667	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+3H"	3.021828
"432686"	1466.091623	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+NH4"	18.033823
"798785"	2190.120523	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+NH4"	18.033823
"1696817"	742.062723	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+NH4"	18.033823
"339381"	733.5494495	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H+NH4"	19.041099
"733988"	1095.5638995	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H+NH4"	19.041099
"1482704"	371.5349995	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+NH4"	19.041099
"401021"	1471.047018	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Na"	22.989218
"762015"	2195.075918	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+Na"	22.989218
"1605741"	747.018118	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na"	22.989218
"315780"	736.027147	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H+Na"	23.996494
"710021"	1098.041597	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H+Na"	23.996494
"1464205"	374.012697	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+Na"	23.996494
"1057454"	249.677556666667	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2H+Na"	25.00377
"1265693"	757.062386	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+CH3OH+H"	33.033486
"386455"	1487.020958	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+K"	38.963158
"748544"	2211.049858	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+K"	38.963158
"1547316"	762.992058	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K"	38.963158
"306682"	744.014117	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+H+K"	39.970434
"699104"	1106.028567	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+H+K"	39.970434
"1454018"	381.999667	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+K"	39.970434
"248087"	1490.091626	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+ACN+H"	42.033826
"1224079"	766.062726	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+ACN+H"	42.033826
"1209672"	383.535001	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+ACN+2H"	43.041102
"203393"	1493.02896	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2Na-H"	44.97116
"643919"	2217.05786	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2Na-H"	44.97116
"1142808"	769.00006	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2Na-H"	44.97116
"182819"	747.018118	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2Na"	45.978436
"620190"	1109.032568	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2Na"	45.978436
"1121510"	385.003668	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2Na"	45.978436
"1407221"	257.004870666667	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+2Na"	46.985712
"1432047"	771.041646	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+HCOOH"	47.012746
"226847"	752.05114	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+3H2O+2H"	56.04448
"1520380"	785.09369	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+IsoProp+H"	61.06479
"420071"	755.005088	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+Na+K"	61.952376
"781065"	1117.019538	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+Na+K"	61.952376
"1675209"	392.990638	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na+K"	61.952376
"258450"	1512.073568	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+ACN+Na"	64.015768
"1232250"	788.044668	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+ACN+Na"	64.015768
"1722230"	788.068193	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+NH4+HCOOH"	64.039293
"1191960"	264.332184666667	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+3Na"	68.967654
"1660760"	793.023588	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na+HCOOH"	68.994688
"172689"	1524.97684	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2K-H"	76.91904
"609366"	2249.00574	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2K-H"	76.91904
"1097159"	800.94794	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2K-H"	76.91904
"156771"	762.992058	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"2M+2K"	77.926316
"591351"	1125.006508	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"3M+2K"	77.926316
"1079145"	400.977608	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2K"	77.926316
"1103604"	802.962492	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2K+H"	78.933592
"1349229"	803.050107	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+DMSO+H"	79.021207
"1015083"	807.089276	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2ACN+H"	83.060376
"1532114"	808.082908	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+IsoProp+Na+H"	84.054008
"998562"	404.048276	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+2ACN+2H"	84.067652
"1590148"	808.997528	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K+HCOOH"	84.968628
"1416543"	839.029038	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+H+CF3COOH"	115.000138
"1156673"	424.561551	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+3ACN+2H"	125.094202
"1700758"	856.055585	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+NH4+CF3COOH"	132.026685
"1641877"	861.01098	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+Na+CF3COOH"	136.98208
"1579715"	876.98492	"C11027"	"Coumaphos syn-dimer"	"C28H32Cl2O10P2S2"	"724.0289"	"M+K+CF3COOH"	152.95602
"802424"	366.9869	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M"	0
"978143"	347.96851	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-H2O-H"	-19.01839
"68575"	243.650657333333	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M-3H"	-3.021828
"505954"	365.979624	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M-3H"	-3.021828
"887036"	121.321690666667	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-3H"	-3.021828
"9985"	365.979624	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M-2H"	-2.014552
"449547"	549.473074	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M-2H"	-2.014552
"827351"	182.486174	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-2H"	-2.014552
"90259"	732.966524	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M-H"	-1.007276
"530184"	1099.953424	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M-H"	-1.007276
"903613"	365.979624	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-H"	-1.007276
"57987"	749.993071	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M-2H+NH4"	16.019271
"497549"	1116.979971	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M-2H+NH4"	16.019271
"872072"	383.006171	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-2H+NH4"	16.019271
"37784"	754.948466	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M-2H+Na"	20.974666
"477347"	1121.935366	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M-2H+Na"	20.974666
"859524"	387.961566	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-2H+Na"	20.974666
"1633431"	387.961566	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Na-2H"	20.974666
"108144"	383.967963	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M-H+Cl"	33.962126
"548428"	567.461413	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M-H+Cl"	33.962126
"938665"	200.474513	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-H+Cl"	33.962126
"280138"	768.943202	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+Cl"	34.969402
"671831"	1135.930102	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+Cl"	34.969402
"1274757"	401.956302	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Cl"	34.969402
"16459"	770.922406	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M-2H+K"	36.948606
"460885"	1137.909306	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M-2H+K"	36.948606
"838687"	403.935506	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-2H+K"	36.948606
"1563269"	403.935506	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+K-2H"	36.948606
"953338"	411.985094	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-H+HCOOH"	44.998194
"369366"	778.972001	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+HCOOH-H"	44.998201
"354344"	792.987651	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+Hac-H"	59.013851
"1498435"	426.000751	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Hac-H"	59.013851
"972784"	433.967051	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-H+NaCOOH"	66.980151
"113066"	401.956302	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+2Cl"	69.938804
"554450"	585.449752	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+2Cl"	69.938804
"1025435"	218.462852	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2Cl"	69.938804
"1243190"	445.905785	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Br"	78.918885
"1311110"	447.961772	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Cl+HCOOH"	80.974872
"1325689"	469.943729	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Cl+NaCOOH"	102.956829
"923311"	479.972486	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M-H+CF3COOH"	112.985586
"1299661"	515.949164	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Cl+CF3COOH"	148.962264
"1374540"	331.974224	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H-2H2O"	-35.012676
"1388755"	349.9842	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H-H2O"	-17.0027
"287712"	734.981076	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+H"	1.007276
"680861"	1101.967976	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+H"	1.007276
"1357209"	367.994176	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H"	1.007276
"133383"	367.994176	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+2H"	2.014552
"575134"	551.487626	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+2H"	2.014552
"1047214"	184.500726	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2H"	2.014552
"215115"	245.665209333333	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+3H"	3.021828
"656866"	367.994176	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+3H"	3.021828
"1172804"	123.336242666667	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+3H"	3.021828
"431704"	752.007623	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+NH4"	18.033823
"800354"	1118.994523	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+NH4"	18.033823
"1693403"	385.020723	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+NH4"	18.033823
"340584"	376.5074495	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+H+NH4"	19.041099
"733005"	560.0008995	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+H+NH4"	19.041099
"1482450"	193.0139995	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H+NH4"	19.041099
"400038"	756.963018	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+Na"	22.989218
"758845"	1123.949918	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+Na"	22.989218
"1609131"	389.976118	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Na"	22.989218
"319169"	378.985147	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+H+Na"	23.996494
"709404"	562.478597	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+H+Na"	23.996494
"1464315"	195.491697	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H+Na"	23.996494
"1055378"	130.663556666667	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2H+Na"	25.00377
"1263617"	400.020386	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+CH3OH+H"	33.033486
"386565"	772.936958	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+K"	38.963158
"748654"	1139.923858	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+K"	38.963158
"1547426"	405.950058	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+K"	38.963158
"305698"	386.972117	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+H+K"	39.970434
"695934"	570.465567	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+H+K"	39.970434
"1454128"	203.478667	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H+K"	39.970434
"244917"	776.007626	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+ACN+H"	42.033826
"1224189"	409.020726	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+ACN+H"	42.033826
"1209051"	205.014001	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+ACN+2H"	43.041102
"203259"	778.94496	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+2Na-H"	44.97116
"643057"	1145.93186	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+2Na-H"	44.97116
"1143647"	411.95806	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2Na-H"	44.97116
"182565"	389.976118	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+2Na"	45.978436
"618114"	573.469568	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+2Na"	45.978436
"1121619"	206.482668	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2Na"	45.978436
"1405873"	137.990870666667	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H+2Na"	46.985712
"1431793"	413.999646	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H+HCOOH"	47.012746
"223675"	395.00914	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+3H2O+2H"	56.04448
"1516116"	428.05169	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+IsoProp+H"	61.06479
"415807"	397.963088	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+Na+K"	61.952376
"778985"	581.456538	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+Na+K"	61.952376
"1672039"	214.469638	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Na+K"	61.952376
"255280"	797.989568	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+ACN+Na"	64.015768
"1231267"	431.002668	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+ACN+Na"	64.015768
"1721247"	431.026193	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+NH4+HCOOH"	64.039293
"1190976"	145.318184666667	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+3Na"	68.967654
"1657589"	435.981588	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Na+HCOOH"	68.994688
"171011"	810.89284	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+2K-H"	76.91904
"609476"	1177.87974	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+2K-H"	76.91904
"1099822"	443.90594	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2K-H"	76.91904
"154085"	405.950058	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"2M+2K"	77.926316
"585265"	589.443508	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"3M+2K"	77.926316
"1075975"	222.456608	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2K"	77.926316
"1101648"	445.920492	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2K+H"	78.933592
"1349703"	446.008107	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+DMSO+H"	79.021207
"1015193"	450.047276	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2ACN+H"	83.060376
"1532224"	451.040908	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+IsoProp+Na+H"	84.054008
"998672"	225.527276	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+2ACN+2H"	84.067652
"1588436"	451.955528	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+K+HCOOH"	84.968628
"1416653"	481.987038	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+H+CF3COOH"	115.000138
"1156783"	246.040551	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+3ACN+2H"	125.094202
"1700868"	499.013585	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+NH4+CF3COOH"	132.026685
"1641987"	503.96898	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+Na+CF3COOH"	136.98208
"1579825"	519.94292	"C11028"	"Phosalone;Agria 1060 A"	"C12H15ClNO4PS2"	"366.9869"	"M+K+CF3COOH"	152.95602
"812377"	383.1344	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M"	0
"989194"	364.11601	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-H2O-H"	-19.01839
"74153"	254.415657333333	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M-3H"	-3.021828
"506064"	382.127124	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M-3H"	-3.021828
"886053"	126.704190666667	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-3H"	-3.021828
"11190"	382.127124	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M-2H"	-2.014552
"449659"	573.694324	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M-2H"	-2.014552
"828555"	190.559924	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-2H"	-2.014552
"89640"	765.261524	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M-H"	-1.007276
"528106"	1148.395924	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M-H"	-1.007276
"901535"	382.127124	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-H"	-1.007276
"57008"	782.288071	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M-2H+NH4"	16.019271
"495474"	1165.422471	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M-2H+NH4"	16.019271
"872183"	399.153671	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-2H+NH4"	16.019271
"40084"	787.243466	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M-2H+Na"	20.974666
"480738"	1170.377866	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M-2H+Na"	20.974666
"861820"	404.109066	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-2H+Na"	20.974666
"1632454"	404.109066	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Na-2H"	20.974666
"105697"	400.115463	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M-H+Cl"	33.962126
"547814"	591.682663	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M-H+Cl"	33.962126
"938776"	208.548263	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-H+Cl"	33.962126
"279520"	801.238202	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+Cl"	34.969402
"668661"	1184.372602	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+Cl"	34.969402
"1273163"	418.103802	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Cl"	34.969402
"17421"	803.217406	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M-2H+K"	36.948606
"460995"	1186.351806	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M-2H+K"	36.948606
"843171"	420.083006	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-2H+K"	36.948606
"1563380"	420.083006	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+K-2H"	36.948606
"952356"	428.132594	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-H+HCOOH"	44.998194
"369476"	811.267001	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+HCOOH-H"	44.998201
"352268"	825.282651	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+Hac-H"	59.013851
"1505477"	442.148251	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Hac-H"	59.013851
"968644"	450.114551	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-H+NaCOOH"	66.980151
"116455"	418.103802	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+2Cl"	69.938804
"559297"	609.671002	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+2Cl"	69.938804
"1023723"	226.536602	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2Cl"	69.938804
"1244393"	462.053285	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Br"	78.918885
"1311220"	464.109272	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Cl+HCOOH"	80.974872
"1333458"	486.091229	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Cl+NaCOOH"	102.956829
"923422"	496.119986	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M-H+CF3COOH"	112.985586
"1297584"	532.096664	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Cl+CF3COOH"	148.962264
"1371733"	348.121724	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H-2H2O"	-35.012676
"1388864"	366.1317	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H-H2O"	-17.0027
"288552"	767.276076	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+H"	1.007276
"679147"	1150.410476	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+H"	1.007276
"1355133"	384.141676	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H"	1.007276
"133493"	384.141676	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+2H"	2.014552
"577430"	575.708876	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+2H"	2.014552
"1048417"	192.574476	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2H"	2.014552
"215226"	256.430209333333	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+3H"	3.021828
"653695"	384.141676	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+3H"	3.021828
"1172915"	128.718742666667	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+3H"	3.021828
"435094"	784.302623	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+NH4"	18.033823
"797183"	1167.437023	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+NH4"	18.033823
"1693148"	401.168223	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+NH4"	18.033823
"341787"	392.6549495	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+H+NH4"	19.041099
"733115"	584.2221495	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+H+NH4"	19.041099
"1482560"	201.0877495	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H+NH4"	19.041099
"399053"	789.258018	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+Na"	22.989218
"758954"	1172.392418	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+Na"	22.989218
"1609241"	406.123618	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Na"	22.989218
"320372"	395.132647	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+H+Na"	23.996494
"711701"	586.699847	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+H+Na"	23.996494
"1463334"	203.565447	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H+Na"	23.996494
"1055488"	136.046056666667	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2H+Na"	25.00377
"1265914"	416.167886	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+CH3OH+H"	33.033486
"391050"	805.231958	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+K"	38.963158
"748764"	1188.366358	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+K"	38.963158
"1547536"	422.097558	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+K"	38.963158
"306902"	403.119617	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+H+K"	39.970434
"697137"	594.686817	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+H+K"	39.970434
"1454238"	211.552417	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H+K"	39.970434
"247943"	808.302626	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+ACN+H"	42.033826
"1222112"	425.168226	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+ACN+H"	42.033826
"1207096"	213.087751	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+ACN+2H"	43.041102
"201427"	811.23996	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+2Na-H"	44.97116
"640984"	1194.37436	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+2Na-H"	44.97116
"1138652"	428.10556	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2Na-H"	44.97116
"181945"	406.123618	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+2Na"	45.978436
"621869"	597.690818	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+2Na"	45.978436
"1123554"	214.556418	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2Na"	45.978436
"1404890"	143.373370666667	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H+2Na"	46.985712
"1436641"	430.147146	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H+HCOOH"	47.012746
"223784"	411.15664	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+3H2O+2H"	56.04448
"1516226"	444.19919	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+IsoProp+H"	61.06479
"420289"	414.110588	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+Na+K"	61.952376
"780188"	605.677788	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+Na+K"	61.952376
"1675428"	222.543388	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Na+K"	61.952376
"257576"	830.284568	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+ACN+Na"	64.015768
"1234655"	447.150168	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+ACN+Na"	64.015768
"1721357"	447.173693	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+NH4+HCOOH"	64.039293
"1184527"	150.700684666667	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+3Na"	68.967654
"1662072"	452.129088	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Na+HCOOH"	68.994688
"172504"	843.18784	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+2K-H"	76.91904
"607399"	1226.32224	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+2K-H"	76.91904
"1098229"	460.05344	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2K-H"	76.91904
"154195"	422.097558	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"2M+2K"	77.926316
"585011"	613.664758	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"3M+2K"	77.926316
"1076085"	230.530358	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2K"	77.926316
"1104920"	462.067992	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2K+H"	78.933592
"1347868"	462.155607	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+DMSO+H"	79.021207
"1016397"	466.194776	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2ACN+H"	83.060376
"1532335"	467.188408	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+IsoProp+Na+H"	84.054008
"1000970"	233.601026	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+2ACN+2H"	84.067652
"1595472"	468.103028	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+K+HCOOH"	84.968628
"1416763"	498.134538	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+H+CF3COOH"	115.000138
"1156893"	254.114301	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+3ACN+2H"	125.094202
"1698790"	515.161085	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+NH4+CF3COOH"	132.026685
"1639910"	520.11648	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+Na+CF3COOH"	136.98208
"1579935"	536.09042	"C11029"	"Fluazifop butyl"	"C19H20F3NO4"	"383.1344"	"M+K+CF3COOH"	152.95602
"815770"	298.0541	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M"	0
"984927"	279.03571	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-H2O-H"	-19.01839
"76448"	197.695457333333	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M-3H"	-3.021828
"505081"	297.046824	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M-3H"	-3.021828
"886163"	98.3440906666667	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-3H"	-3.021828
"11303"	297.046824	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M-2H"	-2.014552
"452686"	446.073874	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M-2H"	-2.014552
"825387"	148.019774	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-2H"	-2.014552
"83194"	595.100924	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M-H"	-1.007276
"527124"	893.155024	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M-H"	-1.007276
"901647"	297.046824	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-H"	-1.007276
"56025"	612.127471	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M-2H+NH4"	16.019271
"492304"	910.181571	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M-2H+NH4"	16.019271
"869013"	314.073371	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-2H+NH4"	16.019271
"42383"	617.082866	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M-2H+Na"	20.974666
"484498"	915.136966	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M-2H+Na"	20.974666
"859745"	319.028766	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-2H+Na"	20.974666
"1631830"	319.028766	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Na-2H"	20.974666
"99247"	315.035163	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M-H+Cl"	33.962126
"545370"	464.062213	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M-H+Cl"	33.962126
"937064"	166.008113	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-H+Cl"	33.962126
"277442"	631.077602	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+Cl"	34.969402
"669867"	929.131702	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+Cl"	34.969402
"1280083"	333.023502	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Cl"	34.969402
"21543"	633.056806	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M-2H+K"	36.948606
"458918"	931.110906	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M-2H+K"	36.948606
"841091"	335.002706	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-2H+K"	36.948606
"1560937"	335.002706	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+K-2H"	36.948606
"951008"	343.052294	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-H+HCOOH"	44.998194
"370683"	641.106401	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+HCOOH-H"	44.998201
"352378"	655.122051	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+Hac-H"	59.013851
"1503399"	357.067951	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Hac-H"	59.013851
"966568"	365.034251	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-H+NaCOOH"	66.980151
"113285"	333.023502	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+2Cl"	69.938804
"558315"	482.050552	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+2Cl"	69.938804
"1023833"	183.996452	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2Cl"	69.938804
"1241465"	376.972985	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Br"	78.918885
"1308778"	379.028972	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Cl+HCOOH"	80.974872
"1331745"	401.010929	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Cl+NaCOOH"	102.956829
"923170"	411.039686	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M-H+CF3COOH"	112.985586
"1302673"	447.016364	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Cl+CF3COOH"	148.962264
"1369292"	263.041424	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H-2H2O"	-35.012676
"1385696"	281.0514	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H-H2O"	-17.0027
"286111"	597.115476	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+H"	1.007276
"682180"	895.169576	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+H"	1.007276
"1358528"	299.061376	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H"	1.007276
"131419"	299.061376	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+2H"	2.014552
"574263"	448.088426	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+2H"	2.014552
"1041968"	150.034326	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2H"	2.014552
"210960"	199.710009333333	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+3H"	3.021828
"651615"	299.061376	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+3H"	3.021828
"1173022"	100.358642666667	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+3H"	3.021828
"433015"	614.142023	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+NH4"	18.033823
"787449"	912.196123	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+NH4"	18.033823
"1682808"	316.087923	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+NH4"	18.033823
"335337"	307.5746495	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+H+NH4"	19.041099
"726665"	456.6016995	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+H+NH4"	19.041099
"1480485"	158.5475995	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H+NH4"	19.041099
"394183"	619.097418	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+Na"	22.989218
"759068"	917.151518	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+Na"	22.989218
"1609353"	321.043318	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Na"	22.989218
"320486"	310.052347	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+H+Na"	23.996494
"711083"	459.079397	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+H+Na"	23.996494
"1464541"	161.025297	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H+Na"	23.996494
"1053530"	107.685956666667	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2H+Na"	25.00377
"1260558"	331.087586	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+CH3OH+H"	33.033486
"379131"	635.071358	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+K"	38.963158
"746689"	933.125458	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+K"	38.963158
"1550932"	337.017258	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+K"	38.963158
"309932"	318.039317	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+H+K"	39.970434
"702719"	467.066367	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+H+K"	39.970434
"1456539"	169.012267	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H+K"	39.970434
"248422"	638.142026	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+ACN+H"	42.033826
"1223321"	340.087926	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+ACN+H"	42.033826
"1206844"	170.547601	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+ACN+2H"	43.041102
"202266"	641.07936	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+2Na-H"	44.97116
"640730"	939.13346	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+2Na-H"	44.97116
"1143869"	343.02526	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2Na-H"	44.97116
"183517"	321.043318	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+2Na"	45.978436
"622345"	470.070368	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+2Na"	45.978436
"1125124"	172.016268	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2Na"	45.978436
"1407187"	115.013270666667	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H+2Na"	46.985712
"1435291"	345.066846	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H+HCOOH"	47.012746
"226080"	326.07634	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+3H2O+2H"	56.04448
"1519255"	359.11889	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+IsoProp+H"	61.06479
"414933"	329.030288	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+Na+K"	61.952376
"778843"	478.057338	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+Na+K"	61.952376
"1671166"	180.003238	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Na+K"	61.952376
"256594"	660.123968	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+ACN+Na"	64.015768
"1233673"	362.069868	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+ACN+Na"	64.015768
"1722560"	362.093393	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+NH4+HCOOH"	64.039293
"1182083"	122.340584666667	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+3Na"	68.967654
"1655983"	367.048788	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Na+HCOOH"	68.994688
"161021"	673.02724	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+2K-H"	76.91904
"600584"	971.08134	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+2K-H"	76.91904
"1086921"	374.97314	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2K-H"	76.91904
"143737"	337.017258	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"2M+2K"	77.926316
"583661"	486.044308	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"3M+2K"	77.926316
"1076195"	187.990208	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2K"	77.926316
"1106123"	376.987692	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2K+H"	78.933592
"1344695"	377.075307	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+DMSO+H"	79.021207
"1015413"	381.114476	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2ACN+H"	83.060376
"1535725"	382.108108	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+IsoProp+Na+H"	84.054008
"1001080"	191.060876	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+2ACN+2H"	84.067652
"1595584"	383.022728	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+K+HCOOH"	84.968628
"1415291"	413.054238	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+H+CF3COOH"	115.000138
"1148255"	211.574151	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+3ACN+2H"	125.094202
"1701087"	430.080785	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+NH4+CF3COOH"	132.026685
"1642207"	435.03618	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+Na+CF3COOH"	136.98208
"1580045"	451.01012	"C11030"	"Quinalphos"	"C12H15N2O3PS"	"298.0541"	"M+K+CF3COOH"	152.95602
"803848"	375.0485	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M"	0
"983944"	356.03011	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-H2O-H"	-19.01839
"69998"	249.025057333333	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M-3H"	-3.021828
"503973"	374.041224	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M-3H"	-3.021828
"883356"	124.008890666667	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-3H"	-3.021828
"11411"	374.041224	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M-2H"	-2.014552
"450973"	561.565474	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M-2H"	-2.014552
"826588"	186.516974	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-2H"	-2.014552
"89862"	749.089724	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M-H"	-1.007276
"528328"	1124.138224	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M-H"	-1.007276
"900664"	374.041224	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-H"	-1.007276
"53944"	766.116271	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M-2H+NH4"	16.019271
"493507"	1141.164771	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M-2H+NH4"	16.019271
"869121"	391.067771	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-2H+NH4"	16.019271
"37023"	771.071666	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M-2H+Na"	20.974666
"483875"	1146.120166	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M-2H+Na"	20.974666
"860947"	396.023166	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-2H+Na"	20.974666
"1633397"	396.023166	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Na-2H"	20.974666
"99357"	392.029563	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M-H+Cl"	33.962126
"540013"	579.553813	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M-H+Cl"	33.962126
"936808"	204.505313	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-H+Cl"	33.962126
"277552"	785.066402	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+Cl"	34.969402
"670705"	1160.114902	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+Cl"	34.969402
"1282379"	410.017902	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Cl"	34.969402
"22747"	787.045606	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M-2H+K"	36.948606
"464496"	1162.094106	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M-2H+K"	36.948606
"836828"	411.997106	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-2H+K"	36.948606
"1561047"	411.997106	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+K-2H"	36.948606
"951483"	420.046694	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-H+HCOOH"	44.998194
"370793"	795.095201	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+HCOOH-H"	44.998201
"353581"	809.110851	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+Hac-H"	59.013851
"1506061"	434.062351	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Hac-H"	59.013851
"967772"	442.028651	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-H+NaCOOH"	66.980151
"115582"	410.017902	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+2Cl"	69.938804
"556239"	597.542152	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+2Cl"	69.938804
"1023578"	222.493652	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2Cl"	69.938804
"1241939"	453.967385	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Br"	78.918885
"1306700"	456.023372	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Cl+HCOOH"	80.974872
"1329303"	478.005329	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Cl+NaCOOH"	102.956829
"924374"	488.034086	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M-H+CF3COOH"	112.985586
"1301809"	524.010764	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Cl+CF3COOH"	148.962264
"1372684"	340.035824	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H-2H2O"	-35.012676
"1385808"	358.0458	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H-H2O"	-17.0027
"289138"	751.104276	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+H"	1.007276
"682290"	1126.152776	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+H"	1.007276
"1361918"	376.055776	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H"	1.007276
"132623"	376.055776	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+2H"	2.014552
"576559"	563.580026	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+2H"	2.014552
"1044264"	188.531526	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2H"	2.014552
"214350"	251.039609333333	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+3H"	3.021828
"655004"	376.055776	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+3H"	3.021828
"1173859"	126.023442666667	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+3H"	3.021828
"434218"	768.130823	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+NH4"	18.033823
"789746"	1143.179323	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+NH4"	18.033823
"1684618"	393.082323	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+NH4"	18.033823
"331071"	384.5690495	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+H+NH4"	19.041099
"726775"	572.0932995	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+H+NH4"	19.041099
"1480596"	197.0447995	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H+NH4"	19.041099
"394536"	773.086218	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+Na"	22.989218
"759178"	1148.134718	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+Na"	22.989218
"1607274"	398.037718	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Na"	22.989218
"319502"	387.046747	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+H+Na"	23.996494
"714109"	574.570997	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+H+Na"	23.996494
"1466839"	199.522497	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H+Na"	23.996494
"1053316"	133.350756666667	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2H+Na"	25.00377
"1259939"	408.081986	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+CH3OH+H"	33.033486
"379606"	789.060158	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+K"	38.963158
"743520"	1164.108658	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+K"	38.963158
"1552135"	414.011658	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+K"	38.963158
"310406"	395.033717	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+H+K"	39.970434
"700640"	582.557967	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+H+K"	39.970434
"1453368"	207.509467	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H+K"	39.970434
"243064"	792.130826	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+ACN+H"	42.033826
"1220149"	417.082326	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+ACN+H"	42.033826
"1206219"	209.044801	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+ACN+2H"	43.041102
"203099"	795.06816	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+2Na-H"	44.97116
"642660"	1170.11666	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+2Na-H"	44.97116
"1143975"	420.01966	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2Na-H"	44.97116
"185445"	398.037718	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+2Na"	45.978436
"623548"	585.561968	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+2Na"	45.978436
"1126323"	210.513468	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2Na"	45.978436
"1407662"	140.678070666667	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H+2Na"	46.985712
"1432121"	422.061246	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H+HCOOH"	47.012746
"222912"	403.07074	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+3H2O+2H"	56.04448
"1518637"	436.11329	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+IsoProp+H"	61.06479
"416866"	406.024688	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+Na+K"	61.952376
"778590"	593.548938	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+Na+K"	61.952376
"1671277"	218.500438	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Na+K"	61.952376
"258891"	814.112768	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+ACN+Na"	64.015768
"1233056"	439.064268	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+ACN+Na"	64.015768
"1720481"	439.087793	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+NH4+HCOOH"	64.039293
"1182558"	148.005384666667	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+3Na"	68.967654
"1655000"	444.043188	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Na+HCOOH"	68.994688
"161497"	827.01604	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+2K-H"	76.91904
"603246"	1202.06454	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+2K-H"	76.91904
"1087759"	451.96754	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2K-H"	76.91904
"143847"	414.011658	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"2M+2K"	77.926316
"584135"	601.535908	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"3M+2K"	77.926316
"1076305"	226.487408	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2K"	77.926316
"1106233"	453.982092	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2K+H"	78.933592
"1344805"	454.069707	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+DMSO+H"	79.021207
"1015523"	458.108876	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2ACN+H"	83.060376
"1534742"	459.102508	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+IsoProp+Na+H"	84.054008
"1001190"	229.558076	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+2ACN+2H"	84.067652
"1595694"	460.017128	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+K+HCOOH"	84.968628
"1416981"	490.048638	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+H+CF3COOH"	115.000138
"1150552"	250.071351	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+3ACN+2H"	125.094202
"1701197"	507.075185	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+NH4+CF3COOH"	132.026685
"1645597"	512.03058	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+Na+CF3COOH"	136.98208
"1580155"	528.00452	"C11031"	"Haloxyfop methyl;Haloxyfop methyl ester"	"C16H13ClF3NO4"	"375.0485"	"M+K+CF3COOH"	152.95602
"805051"	254.9257	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M"	0
"988063"	235.90731	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-H2O-H"	-19.01839
"73388"	168.943190666667	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M-3H"	-3.021828
"504207"	253.918424	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M-3H"	-3.021828
"884193"	83.9679573333333	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-3H"	-3.021828
"11519"	253.918424	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M-2H"	-2.014552
"451083"	381.381274	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M-2H"	-2.014552
"827790"	126.455574	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-2H"	-2.014552
"88879"	508.844124	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M-H"	-1.007276
"529531"	763.769824	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M-H"	-1.007276
"905147"	253.918424	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-H"	-1.007276
"54054"	525.870671	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M-2H+NH4"	16.019271
"494707"	780.796371	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M-2H+NH4"	16.019271
"870324"	270.944971	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-2H+NH4"	16.019271
"38226"	530.826066	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M-2H+Na"	20.974666
"483621"	785.751766	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M-2H+Na"	20.974666
"861057"	275.900366	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-2H+Na"	20.974666
"1632779"	275.900366	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Na-2H"	20.974666
"99467"	271.906763	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M-H+Cl"	33.962126
"541216"	399.369613	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M-H+Cl"	33.962126
"936918"	144.443913	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-H+Cl"	33.962126
"273288"	544.820802	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+Cl"	34.969402
"668992"	799.746502	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+Cl"	34.969402
"1280302"	289.895102	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Cl"	34.969402
"20670"	546.800006	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M-2H+K"	36.948606
"464606"	801.725706	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M-2H+K"	36.948606
"835845"	291.874306	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-2H+K"	36.948606
"1557512"	291.874306	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+K-2H"	36.948606
"948311"	299.923894	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-H+HCOOH"	44.998194
"366527"	554.849601	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+HCOOH-H"	44.998201
"349316"	568.865251	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+Hac-H"	59.013851
"1498148"	313.939551	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Hac-H"	59.013851
"966784"	321.905851	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-H+NaCOOH"	66.980151
"118244"	289.895102	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+2Cl"	69.938804
"559628"	417.357952	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+2Cl"	69.938804
"1028429"	162.432252	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2Cl"	69.938804
"1245090"	333.844585	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Br"	78.918885
"1304983"	335.900572	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Cl+HCOOH"	80.974872
"1321387"	357.882529	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Cl+NaCOOH"	102.956829
"914998"	367.911286	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M-H+CF3COOH"	112.985586
"1289156"	403.887964	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Cl+CF3COOH"	148.962264
"1369516"	219.913024	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H-2H2O"	-35.012676
"1387013"	237.923	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H-H2O"	-17.0027
"288884"	510.858676	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+H"	1.007276
"683493"	765.784376	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+H"	1.007276
"1364215"	255.932976	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H"	1.007276
"133826"	255.932976	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+2H"	2.014552
"575578"	383.395826	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+2H"	2.014552
"1046562"	128.470126	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2H"	2.014552
"217742"	170.957742666667	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+3H"	3.021828
"655115"	255.932976	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+3H"	3.021828
"1175428"	85.9825093333333	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+3H"	3.021828
"433235"	527.885223	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+NH4"	18.033823
"793137"	782.810923	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+NH4"	18.033823
"1684364"	272.959523	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+NH4"	18.033823
"333736"	264.4462495	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+H+NH4"	19.041099
"726886"	391.9090995	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+H+NH4"	19.041099
"1482893"	136.9833995	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H+NH4"	19.041099
"397201"	532.840618	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+Na"	22.989218
"760384"	787.766318	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+Na"	22.989218
"1607385"	277.914918	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Na"	22.989218
"315965"	266.923947	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+H+Na"	23.996494
"710573"	394.386797	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+H+Na"	23.996494
"1468043"	139.461097	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H+Na"	23.996494
"1057277"	93.3098233333333	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2H+Na"	25.00377
"1261142"	287.959186	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+CH3OH+H"	33.033486
"382633"	548.814558	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+K"	38.963158
"742537"	803.740258	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+K"	38.963158
"1548964"	293.888858	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+K"	38.963158
"309423"	274.910917	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+H+K"	39.970434
"702939"	402.373767	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+H+K"	39.970434
"1451292"	147.448067	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H+K"	39.970434
"245363"	551.885226	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+ACN+H"	42.033826
"1221352"	296.959526	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+ACN+H"	42.033826
"1208153"	148.983401	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+ACN+2H"	43.041102
"202482"	554.82256	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+2Na-H"	44.97116
"640947"	809.74826	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+2Na-H"	44.97116
"1142263"	299.89686	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2Na-H"	44.97116
"185191"	277.914918	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+2Na"	45.978436
"623659"	405.377768	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+2Na"	45.978436
"1124612"	150.452068	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2Na"	45.978436
"1410324"	100.637137333333	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H+2Na"	46.985712
"1434418"	301.938446	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H+HCOOH"	47.012746
"226301"	282.94794	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+3H2O+2H"	56.04448
"1522026"	315.99049	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+IsoProp+H"	61.06479
"419527"	285.901888	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+Na+K"	61.952376
"783440"	413.364738	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+Na+K"	61.952376
"1674667"	158.439038	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Na+K"	61.952376
"261917"	573.867168	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+ACN+Na"	64.015768
"1232437"	318.941468	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+ACN+Na"	64.015768
"1721686"	318.964993	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+NH4+HCOOH"	64.039293
"1189593"	107.964451333333	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+3Na"	68.967654
"1655840"	323.920388	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Na+HCOOH"	68.994688
"162703"	586.77044	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+2K-H"	76.91904
"606636"	841.69614	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+2K-H"	76.91904
"1088963"	331.84474	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2K-H"	76.91904
"145779"	293.888858	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"2M+2K"	77.926316
"587526"	421.351708	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"3M+2K"	77.926316
"1077509"	166.426008	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2K"	77.926316
"1108530"	333.859292	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2K+H"	78.933592
"1342728"	333.946907	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+DMSO+H"	79.021207
"1015633"	337.986076	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2ACN+H"	83.060376
"1534852"	338.979708	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+IsoProp+Na+H"	84.054008
"999113"	169.496676	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+2ACN+2H"	84.067652
"1592522"	339.894328	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+K+HCOOH"	84.968628
"1417090"	369.925838	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+H+CF3COOH"	115.000138
"1150662"	190.009951	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+3ACN+2H"	125.094202
"1701307"	386.952385	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+NH4+CF3COOH"	132.026685
"1645707"	391.90778	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+Na+CF3COOH"	136.98208
"1580265"	407.88172	"C11032"	"Trichlopyr;Triclopyr"	"C7H4Cl3NO3"	"254.9257"	"M+K+CF3COOH"	152.95602
"801881"	111.0085	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M"	0
"984164"	91.99011	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-H2O-H"	-19.01839
"72405"	72.9983906666667	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M-3H"	-3.021828
"505409"	110.001224	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M-3H"	-3.021828
"883212"	35.9955573333333	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-3H"	-3.021828
"10536"	110.001224	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M-2H"	-2.014552
"449003"	165.505474	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M-2H"	-2.014552
"827900"	54.496974	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-2H"	-2.014552
"86802"	221.009724	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M-H"	-1.007276
"526361"	332.018224	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M-H"	-1.007276
"904164"	110.001224	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-H"	-1.007276
"54166"	238.036271	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M-2H+NH4"	16.019271
"495912"	349.044771	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M-2H+NH4"	16.019271
"867154"	127.027771	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-2H+NH4"	16.019271
"33961"	242.991666	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M-2H+Na"	20.974666
"482272"	354.000166	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M-2H+Na"	20.974666
"860804"	131.983166	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-2H+Na"	20.974666
"1633254"	131.983166	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Na-2H"	20.974666
"102857"	127.989563	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M-H+Cl"	33.962126
"541326"	183.493813	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M-H+Cl"	33.962126
"937028"	72.485313	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-H+Cl"	33.962126
"277772"	256.986402	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+Cl"	34.969402
"671290"	367.994902	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+Cl"	34.969402
"1280412"	145.977902	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Cl"	34.969402
"20781"	258.965606	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M-2H+K"	36.948606
"465809"	369.974106	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M-2H+K"	36.948606
"834253"	147.957106	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-2H+K"	36.948606
"1559808"	147.957106	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+K-2H"	36.948606
"950609"	156.006694	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-H+HCOOH"	44.998194
"367732"	267.015201	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+HCOOH-H"	44.998201
"349793"	281.030851	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+Hac-H"	59.013851
"1496072"	170.022351	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Hac-H"	59.013851
"967989"	177.988651	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-H+NaCOOH"	66.980151
"119083"	145.977902	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+2Cl"	69.938804
"561924"	201.482152	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+2Cl"	69.938804
"1029632"	90.473652	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2Cl"	69.938804
"1245565"	189.927385	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Br"	78.918885
"1310563"	191.983372	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Cl+HCOOH"	80.974872
"1325143"	213.965329	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Cl+NaCOOH"	102.956829
"916930"	223.994086	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M-H+CF3COOH"	112.985586
"1292546"	259.970764	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Cl+CF3COOH"	148.962264
"1376185"	75.995824	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H-2H2O"	-35.012676
"1388214"	94.0058	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H-H2O"	-17.0027
"286806"	223.024276	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+H"	1.007276
"681416"	334.032776	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+H"	1.007276
"1356671"	112.015776	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H"	1.007276
"139040"	112.015776	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+2H"	2.014552
"575687"	167.520026	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+2H"	2.014552
"1045578"	56.511526	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2H"	2.014552
"218217"	75.0129426666667	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+3H"	3.021828
"655227"	112.015776	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+3H"	3.021828
"1176268"	38.0101093333333	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+3H"	3.021828
"431159"	240.050823	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+NH4"	18.033823
"792155"	351.059323	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+NH4"	18.033823
"1686301"	129.042323	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+NH4"	18.033823
"334943"	120.5290495	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+H+NH4"	19.041099
"725903"	176.0332995	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+H+NH4"	19.041099
"1481910"	65.0247995	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H+NH4"	19.041099
"398404"	245.006218	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+Na"	22.989218
"761587"	356.014718	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+Na"	22.989218
"1607495"	133.997718	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Na"	22.989218
"318628"	123.006747	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+H+Na"	23.996494
"712143"	178.510997	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+H+Na"	23.996494
"1468152"	67.502497	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H+Na"	23.996494
"1057387"	45.3374233333333	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2H+Na"	25.00377
"1260887"	144.041986	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+CH3OH+H"	33.033486
"383836"	260.980158	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+K"	38.963158
"743012"	371.988658	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+K"	38.963158
"1546888"	149.971658	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+K"	38.963158
"308440"	130.993717	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+H+K"	39.970434
"701955"	186.497967	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+H+K"	39.970434
"1453590"	75.489467	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H+K"	39.970434
"246565"	264.050826	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+ACN+H"	42.033826
"1221462"	153.042326	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+ACN+H"	42.033826
"1207168"	77.024801	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+ACN+2H"	43.041102
"202227"	266.98816	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+2Na-H"	44.97116
"640690"	377.99666	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+2Na-H"	44.97116
"1140184"	155.97966	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2Na-H"	44.97116
"182384"	133.997718	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+2Na"	45.978436
"620851"	189.501968	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+2Na"	45.978436
"1125086"	78.493468	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2Na"	45.978436
"1406787"	52.6647373333333	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H+2Na"	46.985712
"1435624"	158.021246	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H+HCOOH"	47.012746
"225319"	139.03074	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+3H2O+2H"	56.04448
"1511559"	172.07329	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+IsoProp+H"	61.06479
"410882"	141.984688	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+Na+K"	61.952376
"785008"	197.488938	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+Na+K"	61.952376
"1679517"	86.480438	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Na+K"	61.952376
"259111"	286.032768	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+ACN+Na"	64.015768
"1235828"	175.024268	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+ACN+Na"	64.015768
"1722890"	175.047793	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+NH4+HCOOH"	64.039293
"1188245"	59.9920513333333	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+3Na"	68.967654
"1657043"	180.003188	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Na+HCOOH"	68.994688
"163906"	298.93604	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+2K-H"	76.91904
"606746"	409.94454	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+2K-H"	76.91904
"1089074"	187.92754	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2K-H"	76.91904
"144797"	149.971658	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"2M+2K"	77.926316
"586543"	205.475908	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"3M+2K"	77.926316
"1076525"	94.467408	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2K"	77.926316
"1106453"	189.942092	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2K+H"	78.933592
"1345025"	190.029707	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+DMSO+H"	79.021207
"1015742"	194.068876	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2ACN+H"	83.060376
"1531681"	195.062508	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+IsoProp+Na+H"	84.054008
"1001410"	97.538076	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+2ACN+2H"	84.067652
"1593726"	195.977128	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+K+HCOOH"	84.968628
"1419387"	226.008638	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+H+CF3COOH"	115.000138
"1150772"	118.051351	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+3ACN+2H"	125.094202
"1701417"	243.035185	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+NH4+CF3COOH"	132.026685
"1640350"	247.99058	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+Na+CF3COOH"	136.98208
"1580375"	263.96452	"C11033"	"1-Aminomethylphosphonic acid;AMPA"	"CH6NO3P"	"111.0085"	"M+K+CF3COOH"	152.95602
"801704"	367.0975	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M"	0
"983180"	348.07911	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-H2O-H"	-19.01839
"69235"	243.724390666667	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M-3H"	-3.021828
"514268"	366.090224	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M-3H"	-3.021828
"884413"	121.358557333333	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-3H"	-3.021828
"6272"	366.090224	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M-2H"	-2.014552
"445832"	549.638974	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M-2H"	-2.014552
"823633"	182.541474	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-2H"	-2.014552
"86909"	733.187724	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M-H"	-1.007276
"524283"	1100.285224	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M-H"	-1.007276
"904271"	366.090224	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-H"	-1.007276
"53179"	750.214271	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M-2H+NH4"	16.019271
"493833"	1117.311771	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M-2H+NH4"	16.019271
"867261"	383.116771	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-2H+NH4"	16.019271
"32977"	755.169666	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M-2H+Na"	20.974666
"471928"	1122.267166	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M-2H+Na"	20.974666
"852527"	388.072166	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-2H+Na"	20.974666
"1626437"	388.072166	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Na-2H"	20.974666
"105154"	384.078563	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M-H+Cl"	33.962126
"542530"	567.627313	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M-H+Cl"	33.962126
"933858"	200.529813	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-H+Cl"	33.962126
"274601"	769.164402	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+Cl"	34.969402
"662284"	1136.261902	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+Cl"	34.969402
"1274688"	402.066902	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Cl"	34.969402
"16878"	771.143606	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M-2H+K"	36.948606
"461545"	1138.241106	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M-2H+K"	36.948606
"833876"	404.046106	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-2H+K"	36.948606
"1557365"	404.046106	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+K-2H"	36.948606
"948530"	412.095694	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-H+HCOOH"	44.998194
"368933"	779.193201	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+HCOOH-H"	44.998201
"351723"	793.208851	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+Hac-H"	59.013851
"1495088"	426.111351	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Hac-H"	59.013851
"958819"	434.077651	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-H+NaCOOH"	66.980151
"118099"	402.066902	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+2Cl"	69.938804
"550733"	585.615652	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+2Cl"	69.938804
"1025729"	218.518152	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2Cl"	69.938804
"1244944"	446.016385	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Br"	78.918885
"1312859"	448.072372	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Cl+HCOOH"	80.974872
"1323066"	470.054329	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Cl+NaCOOH"	102.956829
"912665"	480.083086	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M-H+CF3COOH"	112.985586
"1290833"	516.059764	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Cl+CF3COOH"	148.962264
"1371923"	332.084824	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H-2H2O"	-35.012676
"1388324"	350.0948	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H-H2O"	-17.0027
"289103"	735.202276	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+H"	1.007276
"685900"	1102.299776	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+H"	1.007276
"1360061"	368.104776	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H"	1.007276
"140608"	368.104776	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+2H"	2.014552
"576892"	551.653526	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+2H"	2.014552
"1045691"	184.556026	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2H"	2.014552
"213591"	245.738942666667	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+3H"	3.021828
"652060"	368.104776	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+3H"	3.021828
"1173465"	123.373109333333	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+3H"	3.021828
"435645"	752.228823	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+NH4"	18.033823
"799557"	1119.326323	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+NH4"	18.033823
"1688598"	385.131323	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+NH4"	18.033823
"335783"	376.6180495	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+H+NH4"	19.041099
"729297"	560.1667995	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+H+NH4"	19.041099
"1482386"	193.0692995	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H+NH4"	19.041099
"396328"	757.184218	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+Na"	22.989218
"759875"	1124.281718	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+Na"	22.989218
"1607605"	390.086718	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Na"	22.989218
"318738"	379.095747	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+H+Na"	23.996494
"711159"	562.644497	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+H+Na"	23.996494
"1466075"	195.546997	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H+Na"	23.996494
"1053485"	130.700423333333	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2H+Na"	25.00377
"1261363"	400.130986	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+CH3OH+H"	33.033486
"380302"	773.158158	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+K"	38.963158
"743122"	1140.255658	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+K"	38.963158
"1543718"	406.060658	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+K"	38.963158
"300897"	387.082717	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+H+K"	39.970434
"698787"	570.631467	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+H+K"	39.970434
"1452607"	203.533967	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H+K"	39.970434
"244488"	776.228826	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+ACN+H"	42.033826
"1216106"	409.131326	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+ACN+H"	42.033826
"1203268"	205.069301	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+ACN+2H"	43.041102
"198327"	779.16616	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+2Na-H"	44.97116
"636791"	1146.26366	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+2Na-H"	44.97116
"1139202"	412.06866	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2Na-H"	44.97116
"180307"	390.086718	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+2Na"	45.978436
"620961"	573.635468	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+2Na"	45.978436
"1122279"	206.537968	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2Na"	45.978436
"1403616"	138.027737333333	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H+2Na"	46.985712
"1430750"	414.110246	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H+HCOOH"	47.012746
"220062"	395.11974	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+3H2O+2H"	56.04448
"1509480"	428.16229	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+IsoProp+H"	61.06479
"408650"	398.073688	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+Na+K"	61.952376
"782929"	581.622438	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+Na+K"	61.952376
"1675982"	214.524938	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Na+K"	61.952376
"258128"	798.210768	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+ACN+Na"	64.015768
"1235938"	431.113268	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+ACN+Na"	64.015768
"1725552"	431.136793	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+NH4+HCOOH"	64.039293
"1188355"	145.355051333333	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+3Na"	68.967654
"1654966"	436.092188	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Na+HCOOH"	68.994688
"162923"	811.11404	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+2K-H"	76.91904
"602484"	1178.21154	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+2K-H"	76.91904
"1090278"	444.01654	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2K-H"	76.91904
"143814"	406.060658	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"2M+2K"	77.926316
"585560"	589.609408	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"3M+2K"	77.926316
"1073355"	222.511908	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2K"	77.926316
"1106563"	446.031092	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2K+H"	78.933592
"1338575"	446.118707	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+DMSO+H"	79.021207
"1012572"	450.157876	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2ACN+H"	83.060376
"1525595"	451.151508	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+IsoProp+Na+H"	84.054008
"998240"	225.582576	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+2ACN+2H"	84.067652
"1592743"	452.066128	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+K+HCOOH"	84.968628
"1416580"	482.097638	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+H+CF3COOH"	115.000138
"1150882"	246.095851	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+3ACN+2H"	125.094202
"1698247"	499.124185	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+NH4+CF3COOH"	132.026685
"1640460"	504.07958	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+Na+CF3COOH"	136.98208
"1580485"	520.05352	"C11034"	"MK-129;2-p-(p-Chlorobenzyloxy)phenyl-4567-tetrahydroisoindoline-13-dione"	"C21H18ClNO3"	"367.0975"	"M+K+CF3COOH"	152.95602
"802100"	354.1016	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M"	0
"982197"	335.08321	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-H2O-H"	-19.01839
"72625"	235.060457333333	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M-3H"	-3.021828
"517657"	353.094324	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M-3H"	-3.021828
"886710"	117.026590666667	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-3H"	-3.021828
"8569"	353.094324	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M-2H"	-2.014552
"445942"	530.145124	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M-2H"	-2.014552
"825929"	176.043524	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-2H"	-2.014552
"85924"	707.195924	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M-H"	-1.007276
"525486"	1061.297524	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M-H"	-1.007276
"904380"	353.094324	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-H"	-1.007276
"55474"	724.222471	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M-2H+NH4"	16.019271
"490663"	1078.324071	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M-2H+NH4"	16.019271
"868463"	370.120871	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-2H+NH4"	16.019271
"35272"	729.177866	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M-2H+Na"	20.974666
"473740"	1083.279466	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M-2H+Na"	20.974666
"850082"	375.076266	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-2H+Na"	20.974666
"1628733"	375.076266	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Na-2H"	20.974666
"105993"	371.082663	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M-H+Cl"	33.962126
"542640"	548.133463	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M-H+Cl"	33.962126
"935061"	194.031863	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-H+Cl"	33.962126
"273618"	743.172602	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+Cl"	34.969402
"664947"	1097.274202	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+Cl"	34.969402
"1274069"	389.071002	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Cl"	34.969402
"16864"	745.151806	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M-2H+K"	36.948606
"459469"	1099.253406	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M-2H+K"	36.948606
"833741"	391.050206	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-2H+K"	36.948606
"1559661"	391.050206	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+K-2H"	36.948606
"946088"	399.099794	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-H+HCOOH"	44.998194
"366856"	753.201401	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+HCOOH-H"	44.998201
"352926"	767.217051	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+Hac-H"	59.013851
"1495562"	413.115451	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Hac-H"	59.013851
"959334"	421.081751	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-H+NaCOOH"	66.980151
"118573"	389.071002	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+2Cl"	69.938804
"551571"	566.121802	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+2Cl"	69.938804
"1026567"	212.020202	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2Cl"	69.938804
"1246149"	433.020485	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Br"	78.918885
"1312969"	435.076472	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Cl+HCOOH"	80.974872
"1321353"	457.058429	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Cl+NaCOOH"	102.956829
"914960"	467.087186	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M-H+CF3COOH"	112.985586
"1291672"	503.063864	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Cl+CF3COOH"	148.962264
"1375314"	319.088924	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H-2H2O"	-35.012676
"1394631"	337.0989	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H-H2O"	-17.0027
"292494"	709.210476	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+H"	1.007276
"686010"	1063.312076	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+H"	1.007276
"1361266"	355.108876	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H"	1.007276
"140965"	355.108876	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+2H"	2.014552
"571535"	532.159676	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+2H"	2.014552
"1045801"	178.058076	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2H"	2.014552
"209327"	237.075009333333	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+3H"	3.021828
"651073"	355.108876	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+3H"	3.021828
"1172479"	119.041142666667	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+3H"	3.021828
"434662"	726.237023	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+NH4"	18.033823
"797844"	1080.338623	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+NH4"	18.033823
"1688707"	372.135423	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+NH4"	18.033823
"336986"	363.6221495	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+H+NH4"	19.041099
"726491"	540.6729495	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+H+NH4"	19.041099
"1482496"	186.5713495	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H+NH4"	19.041099
"399717"	731.192418	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+Na"	22.989218
"761807"	1085.294018	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+Na"	22.989218
"1608810"	377.090818	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Na"	22.989218
"317753"	366.099847	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+H+Na"	23.996494
"710903"	543.150647	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+H+Na"	23.996494
"1466185"	189.049047	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H+Na"	23.996494
"1053594"	126.368456666667	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2H+Na"	25.00377
"1259650"	387.135086	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+CH3OH+H"	33.033486
"382966"	747.166358	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+K"	38.963158
"747243"	1101.267958	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+K"	38.963158
"1542736"	393.064758	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+K"	38.963158
"306474"	374.086817	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+H+K"	39.970434
"697803"	551.137617	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+H+K"	39.970434
"1452717"	197.036017	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H+K"	39.970434
"244599"	750.237026	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+ACN+H"	42.033826
"1217310"	396.135426	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+ACN+H"	42.033826
"1203380"	198.571351	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+ACN+2H"	43.041102
"199165"	753.17436	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+2Na-H"	44.97116
"637994"	1107.27596	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+2Na-H"	44.97116
"1141501"	399.07276	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2Na-H"	44.97116
"182605"	377.090818	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+2Na"	45.978436
"621071"	554.141618	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+2Na"	45.978436
"1122390"	200.040018	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2Na"	45.978436
"1403727"	133.695770666667	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H+2Na"	46.985712
"1431468"	401.114346	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H+HCOOH"	47.012746
"220231"	382.12384	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+3H2O+2H"	56.04448
"1508643"	415.16639	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+IsoProp+H"	61.06479
"408664"	385.077788	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+Na+K"	61.952376
"782311"	562.128588	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+Na+K"	61.952376
"1679251"	208.026988	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Na+K"	61.952376
"261518"	772.218968	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+ACN+Na"	64.015768
"1236050"	418.117368	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+ACN+Na"	64.015768
"1720924"	418.140893	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+NH4+HCOOH"	64.039293
"1188465"	141.023084666667	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+3Na"	68.967654
"1659451"	423.096288	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Na+HCOOH"	68.994688
"161940"	785.12224	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+2K-H"	76.91904
"601866"	1139.22384	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+2K-H"	76.91904
"1096949"	431.02064	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2K-H"	76.91904
"151580"	393.064758	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"2M+2K"	77.926316
"588952"	570.115558	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"3M+2K"	77.926316
"1073465"	216.013958	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2K"	77.926316
"1108859"	433.035192	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2K+H"	78.933592
"1341965"	433.122807	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+DMSO+H"	79.021207
"1007579"	437.161976	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2ACN+H"	83.060376
"1525703"	438.155608	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+IsoProp+Na+H"	84.054008
"998349"	219.084626	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+2ACN+2H"	84.067652
"1592853"	439.070228	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+K+HCOOH"	84.968628
"1415596"	469.101738	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+H+CF3COOH"	115.000138
"1150992"	239.597901	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+3ACN+2H"	125.094202
"1698357"	486.128285	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+NH4+CF3COOH"	132.026685
"1640570"	491.08368	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+Na+CF3COOH"	136.98208
"1580595"	507.05762	"C11035"	"Flumioxazin;S-53482"	"C19H15FN2O4"	"354.1016"	"M+K+CF3COOH"	152.95602
"814242"	155.9575	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M"	0
"984492"	136.93911	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-H2O-H"	-19.01839
"72735"	102.964390666667	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M-3H"	-3.021828
"517644"	154.950224	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M-3H"	-3.021828
"886824"	50.9785573333333	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-3H"	-3.021828
"9774"	154.950224	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M-2H"	-2.014552
"447145"	232.928974	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M-2H"	-2.014552
"821666"	76.971474	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-2H"	-2.014552
"80570"	310.907724	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M-H"	-1.007276
"522315"	466.865224	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M-H"	-1.007276
"901209"	154.950224	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-H"	-1.007276
"51212"	327.934271	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M-2H+NH4"	16.019271
"496239"	483.891771	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M-2H+NH4"	16.019271
"866508"	171.976771	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-2H+NH4"	16.019271
"34289"	332.889666	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M-2H+Na"	20.974666
"476037"	488.847166	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M-2H+Na"	20.974666
"850557"	176.932166	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-2H+Na"	20.974666
"1628843"	176.932166	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Na-2H"	20.974666
"105374"	172.938563	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M-H+Cl"	33.962126
"544937"	250.917313	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M-H+Cl"	33.962126
"936266"	94.959813	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-H+Cl"	33.962126
"271906"	346.884402	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+Cl"	34.969402
"662506"	502.841902	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+Cl"	34.969402
"1273570"	190.926902	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Cl"	34.969402
"16856"	348.863606	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M-2H+K"	36.948606
"459578"	504.821106	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M-2H+K"	36.948606
"837380"	192.906106	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-2H+K"	36.948606
"1557222"	192.906106	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+K-2H"	36.948606
"943765"	200.955694	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-H+HCOOH"	44.998194
"365872"	356.913201	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+HCOOH-H"	44.998201
"355224"	370.928851	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+Hac-H"	59.013851
"1497497"	214.971351	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Hac-H"	59.013851
"962850"	222.937651	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-H+NaCOOH"	66.980151
"110660"	190.926902	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+2Cl"	69.938804
"551683"	268.905652	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+2Cl"	69.938804
"1023396"	112.948152	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2Cl"	69.938804
"1241674"	234.876385	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Br"	78.918885
"1305179"	236.932372	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Cl+HCOOH"	80.974872
"1320044"	258.914329	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Cl+NaCOOH"	102.956829
"912889"	268.943086	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M-H+CF3COOH"	112.985586
"1293245"	304.919764	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Cl+CF3COOH"	148.962264
"1374331"	120.944824	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H-2H2O"	-35.012676
"1395106"	138.9548	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H-H2O"	-17.0027
"297343"	312.922276	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+H"	1.007276
"686120"	468.879776	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+H"	1.007276
"1362469"	156.964776	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H"	1.007276
"140709"	156.964776	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+2H"	2.014552
"572737"	234.943526	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+2H"	2.014552
"1047004"	78.986026	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2H"	2.014552
"209800"	104.978942666667	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+3H"	3.021828
"653372"	156.964776	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+3H"	3.021828
"1169310"	52.9931093333333	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+3H"	3.021828
"432582"	329.948823	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+NH4"	18.033823
"792485"	485.906323	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+NH4"	18.033823
"1685535"	173.991323	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+NH4"	18.033823
"336002"	165.4780495	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+H+NH4"	19.041099
"729517"	243.4567995	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+H+NH4"	19.041099
"1482242"	87.4992995	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H+NH4"	19.041099
"399828"	334.904218	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+Na"	22.989218
"758999"	490.861718	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+Na"	22.989218
"1610014"	178.946718	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Na"	22.989218
"318229"	167.955747	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+H+Na"	23.996494
"711382"	245.934497	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+H+Na"	23.996494
"1467390"	89.976997	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H+Na"	23.996494
"1054312"	60.3204233333333	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2H+Na"	25.00377
"1261221"	188.990986	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+CH3OH+H"	33.033486
"384172"	350.878158	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+K"	38.963158
"747355"	506.835658	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+K"	38.963158
"1547221"	194.920658	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+K"	38.963158
"306585"	175.942717	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+H+K"	39.970434
"695726"	253.921467	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+H+K"	39.970434
"1453922"	97.963967	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H+K"	39.970434
"245806"	353.948826	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+ACN+H"	42.033826
"1217421"	197.991326	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+ACN+H"	42.033826
"1203490"	99.499301	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+ACN+2H"	43.041102
"197453"	356.88616	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+2Na-H"	44.97116
"639929"	512.84366	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+2Na-H"	44.97116
"1143073"	200.92866	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2Na-H"	44.97116
"181625"	178.946718	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+2Na"	45.978436
"621182"	256.925468	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+2Na"	45.978436
"1122500"	100.967968	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2Na"	45.978436
"1406025"	67.6477373333333	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H+2Na"	46.985712
"1430724"	202.970246	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H+HCOOH"	47.012746
"220299"	183.97974	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+3H2O+2H"	56.04448
"1510435"	217.02229	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+IsoProp+H"	61.06479
"416685"	186.933688	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+Na+K"	61.952376
"783516"	264.912438	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+Na+K"	61.952376
"1677295"	108.954938	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Na+K"	61.952376
"261628"	375.930768	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+ACN+Na"	64.015768
"1232150"	219.973268	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+ACN+Na"	64.015768
"1719942"	219.996793	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+NH4+HCOOH"	64.039293
"1187482"	74.9750513333333	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+3Na"	68.967654
"1663449"	224.952188	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Na+HCOOH"	68.994688
"163142"	388.83404	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+2K-H"	76.91904
"605985"	544.79154	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+2K-H"	76.91904
"1093779"	232.87654	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2K-H"	76.91904
"149503"	194.920658	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"2M+2K"	77.926316
"589062"	272.899408	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"3M+2K"	77.926316
"1079044"	116.941908	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2K"	77.926316
"1107878"	234.891092	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2K+H"	78.933592
"1338796"	234.978707	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+DMSO+H"	79.021207
"1009513"	239.017876	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2ACN+H"	83.060376
"1528731"	240.011508	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+IsoProp+Na+H"	84.054008
"998459"	120.012576	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+2ACN+2H"	84.067652
"1596244"	240.926128	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+K+HCOOH"	84.968628
"1418623"	270.957638	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+H+CF3COOH"	115.000138
"1147094"	140.525851	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+3ACN+2H"	125.094202
"1698467"	287.984185	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+NH4+CF3COOH"	132.026685
"1640680"	292.93958	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+Na+CF3COOH"	136.98208
"1580705"	308.91352	"C11036"	"Bromobenzene"	"C6H5Br"	"155.9575"	"M+K+CF3COOH"	152.95602
"812164"	263.8816	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M"	0
"984603"	244.86321	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-H2O-H"	-19.01839
"72846"	174.913790666667	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M-3H"	-3.021828
"518120"	262.874324	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M-3H"	-3.021828
"889121"	86.9532573333333	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-3H"	-3.021828
"12070"	262.874324	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M-2H"	-2.014552
"450537"	394.815124	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M-2H"	-2.014552
"825055"	130.933524	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-2H"	-2.014552
"80679"	526.755924	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M-H"	-1.007276
"523520"	790.637524	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M-H"	-1.007276
"905695"	262.874324	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-H"	-1.007276
"51323"	543.782471	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M-2H+NH4"	16.019271
"491977"	807.664071	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M-2H+NH4"	16.019271
"869776"	279.900871	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-2H+NH4"	16.019271
"36586"	548.737866	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M-2H+Na"	20.974666
"479427"	812.619466	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M-2H+Na"	20.974666
"851761"	284.856266	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-2H+Na"	20.974666
"1630412"	284.856266	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Na-2H"	20.974666
"106577"	280.862663	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M-H+Cl"	33.962126
"545047"	412.803463	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M-H+Cl"	33.962126
"937469"	148.921863	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-H+Cl"	33.962126
"271652"	562.732602	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+Cl"	34.969402
"664074"	826.614202	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+Cl"	34.969402
"1275748"	298.851002	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Cl"	34.969402
"16720"	564.711806	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M-2H+K"	36.948606
"458958"	828.593406	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M-2H+K"	36.948606
"838219"	300.830206	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-2H+K"	36.948606
"1557332"	300.830206	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+K-2H"	36.948606
"945941"	308.879794	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-H+HCOOH"	44.998194
"366346"	572.761401	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+HCOOH-H"	44.998201
"350595"	586.777051	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+Hac-H"	59.013851
"1497607"	322.895451	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Hac-H"	59.013851
"962596"	330.861751	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-H+NaCOOH"	66.980151
"111134"	298.851002	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+2Cl"	69.938804
"550816"	430.791802	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+2Cl"	69.938804
"1023506"	166.910202	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2Cl"	69.938804
"1243811"	342.800485	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Br"	78.918885
"1305531"	344.856472	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Cl+HCOOH"	80.974872
"1320721"	366.838429	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Cl+NaCOOH"	102.956829
"912999"	376.867186	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M-H+CF3COOH"	112.985586
"1293355"	412.843864	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Cl+CF3COOH"	148.962264
"1374441"	228.868924	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H-2H2O"	-35.012676
"1394123"	246.8789	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H-H2O"	-17.0027
"296725"	528.770476	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+H"	1.007276
"688782"	792.652076	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+H"	1.007276
"1362579"	264.888876	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H"	1.007276
"139847"	264.888876	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+2H"	2.014552
"568839"	396.829676	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+2H"	2.014552
"1043835"	132.948076	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2H"	2.014552
"207360"	176.928342666667	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+3H"	3.021828
"654578"	264.888876	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+3H"	3.021828
"1169420"	88.9678093333333	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+3H"	3.021828
"429779"	545.797023	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+NH4"	18.033823
"791503"	809.678623	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+NH4"	18.033823
"1683824"	281.915423	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+NH4"	18.033823
"335019"	273.4021495	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+H+NH4"	19.041099
"726348"	405.3429495	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+H+NH4"	19.041099
"1482352"	141.4613495	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H+NH4"	19.041099
"398844"	550.752418	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+Na"	22.989218
"759838"	814.634018	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+Na"	22.989218
"1610123"	286.870818	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Na"	22.989218
"319068"	275.879847	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+H+Na"	23.996494
"711492"	407.820647	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+H+Na"	23.996494
"1467500"	143.939047	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H+Na"	23.996494
"1057460"	96.2951233333333	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2H+Na"	25.00377
"1261331"	296.915086	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+CH3OH+H"	33.033486
"384282"	566.726358	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+K"	38.963158
"746371"	830.607958	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+K"	38.963158
"1546237"	302.844758	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+K"	38.963158
"307788"	283.866817	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+H+K"	39.970434
"695836"	415.807617	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+H+K"	39.970434
"1451848"	151.926017	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H+K"	39.970434
"242636"	569.797026	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+ACN+H"	42.033826
"1216437"	305.915426	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+ACN+H"	42.033826
"1203601"	153.461351	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+ACN+2H"	43.041102
"202305"	572.73436	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+2Na-H"	44.97116
"638217"	836.61596	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+2Na-H"	44.97116
"1144276"	308.85276	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2Na-H"	44.97116
"180641"	286.870818	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+2Na"	45.978436
"622384"	418.811618	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+2Na"	45.978436
"1128078"	154.930018	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2Na"	45.978436
"1409413"	103.622437333333	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H+2Na"	46.985712
"1432780"	310.894346	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H+HCOOH"	47.012746
"222841"	291.90384	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+3H2O+2H"	56.04448
"1511638"	324.94639	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+IsoProp+H"	61.06479
"417888"	294.857788	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+Na+K"	61.952376
"781802"	426.798588	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+Na+K"	61.952376
"1677405"	162.916988	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Na+K"	61.952376
"260644"	591.778968	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+ACN+Na"	64.015768
"1231167"	327.897368	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+ACN+Na"	64.015768
"1717866"	327.920893	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+NH4+HCOOH"	64.039293
"1185406"	110.949751333333	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+3Na"	68.967654
"1665100"	332.876288	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Na+HCOOH"	68.994688
"162160"	604.68224	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+2K-H"	76.91904
"603909"	868.56384	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+2K-H"	76.91904
"1094983"	340.80064	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2K-H"	76.91904
"155811"	302.844758	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"2M+2K"	77.926316
"589172"	434.785558	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"3M+2K"	77.926316
"1080246"	170.903958	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2K"	77.926316
"1102521"	342.815192	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2K+H"	78.933592
"1338905"	342.902807	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+DMSO+H"	79.021207
"1009623"	346.941976	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2ACN+H"	83.060376
"1532122"	347.935608	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+IsoProp+Na+H"	84.054008
"998570"	173.974626	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+2ACN+2H"	84.067652
"1596354"	348.850228	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+K+HCOOH"	84.968628
"1419826"	378.881738	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+H+CF3COOH"	115.000138
"1147201"	194.487901	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+3ACN+2H"	125.094202
"1698577"	395.908285	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+NH4+CF3COOH"	132.026685
"1640790"	400.86368	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+Na+CF3COOH"	136.98208
"1580815"	416.83762	"C11037"	"Chlorothalonil;Tetrachloroisophthalonitrile;Daconil;TPN"	"C8Cl4N2"	"263.8816"	"M+K+CF3COOH"	152.95602
"814462"	417.0338	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M"	0
"989881"	398.01541	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-H2O-H"	-19.01839
"75144"	277.015257333333	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M-3H"	-3.021828
"518467"	416.026524	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M-3H"	-3.021828
"892513"	138.003990666667	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-3H"	-3.021828
"12181"	416.026524	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M-2H"	-2.014552
"449554"	624.543424	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M-2H"	-2.014552
"825169"	207.509624	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-2H"	-2.014552
"87349"	833.060324	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M-H"	-1.007276
"526910"	1250.094124	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M-H"	-1.007276
"908722"	416.026524	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-H"	-1.007276
"57991"	850.086871	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M-2H+NH4"	16.019271
"498645"	1267.120671	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M-2H+NH4"	16.019271
"872075"	433.053071	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-2H+NH4"	16.019271
"35602"	855.042266	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M-2H+Na"	20.974666
"481724"	1272.076066	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M-2H+Na"	20.974666
"851872"	438.008466	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-2H+Na"	20.974666
"1631253"	438.008466	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Na-2H"	20.974666
"109244"	434.014863	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M-H+Cl"	33.962126
"547346"	642.531763	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M-H+Cl"	33.962126
"940132"	225.497963	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-H+Cl"	33.962126
"277230"	869.037002	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+Cl"	34.969402
"668559"	1286.070802	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+Cl"	34.969402
"1278775"	452.003202	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Cl"	34.969402
"21331"	871.016206	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M-2H+K"	36.948606
"463078"	1288.050006	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M-2H+K"	36.948606
"839787"	453.982406	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-2H+K"	36.948606
"1558534"	453.982406	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+K-2H"	36.948606
"944592"	462.031994	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-H+HCOOH"	44.998194
"364266"	879.065801	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+HCOOH-H"	44.998201
"351068"	893.081451	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+Hac-H"	59.013851
"1495529"	476.047651	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Hac-H"	59.013851
"964166"	484.013951	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-H+NaCOOH"	66.980151
"116353"	452.003202	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+2Cl"	69.938804
"555912"	660.520102	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+2Cl"	69.938804
"1028357"	243.486302	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2Cl"	69.938804
"1245748"	495.952685	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Br"	78.918885
"1306738"	498.008672	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Cl+HCOOH"	80.974872
"1321685"	519.990629	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Cl+NaCOOH"	102.956829
"913104"	530.019386	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M-H+CF3COOH"	112.985586
"1292370"	565.996064	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Cl+CF3COOH"	148.962264
"1381839"	382.021124	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H-2H2O"	-35.012676
"1394236"	400.0311	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H-H2O"	-17.0027
"297203"	835.074876	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+H"	1.007276
"684157"	1252.108676	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+H"	1.007276
"1366583"	418.041076	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H"	1.007276
"139594"	418.041076	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+2H"	2.014552
"574054"	626.557976	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+2H"	2.014552
"1041759"	209.524176	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2H"	2.014552
"211845"	279.029809333333	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+3H"	3.021828
"648126"	418.041076	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+3H"	3.021828
"1167711"	140.018542666667	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+3H"	3.021828
"426364"	852.101423	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+NH4"	18.033823
"791613"	1269.135223	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+NH4"	18.033823
"1685029"	435.067623	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+NH4"	18.033823
"335130"	426.5543495	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+H+NH4"	19.041099
"726458"	635.0712495	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+H+NH4"	19.041099
"1481734"	218.0374495	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H+NH4"	19.041099
"398957"	857.056818	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+Na"	22.989218
"763232"	1274.090618	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+Na"	22.989218
"1611331"	440.023018	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Na"	22.989218
"323552"	429.032047	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+H+Na"	23.996494
"713788"	637.548947	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+H+Na"	23.996494
"1467609"	220.515147	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H+Na"	23.996494
"1058662"	147.345856666667	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2H+Na"	25.00377
"1261439"	450.067286	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+CH3OH+H"	33.033486
"378191"	873.030758	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+K"	38.963158
"739310"	1290.064558	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+K"	38.963158
"1547440"	455.996958	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+K"	38.963158
"308991"	437.019017	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+H+K"	39.970434
"701413"	645.535917	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+H+K"	39.970434
"1453051"	228.502117	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H+K"	39.970434
"242746"	876.101426	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+ACN+H"	42.033826
"1217640"	459.067626	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+ACN+H"	42.033826
"1203711"	230.037451	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+ACN+2H"	43.041102
"202049"	879.03876	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+2Na-H"	44.97116
"643433"	1296.07256	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+2Na-H"	44.97116
"1146699"	462.00496	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2Na-H"	44.97116
"188044"	440.023018	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+2Na"	45.978436
"626872"	648.539918	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+2Na"	45.978436
"1129284"	231.506118	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2Na"	45.978436
"1414122"	154.673170666667	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H+2Na"	46.985712
"1439454"	464.046546	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H+HCOOH"	47.012746
"223316"	445.05604	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+3H2O+2H"	56.04448
"1509683"	478.09859	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+IsoProp+H"	61.06479
"417998"	448.009988	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+Na+K"	61.952376
"782277"	656.526888	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+Na+K"	61.952376
"1673143"	239.493088	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Na+K"	61.952376
"256382"	898.083368	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+ACN+Na"	64.015768
"1227998"	481.049568	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+ACN+Na"	64.015768
"1717978"	481.073093	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+NH4+HCOOH"	64.039293
"1183330"	162.000484666667	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+3Na"	68.967654
"1663062"	486.028488	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Na+HCOOH"	68.994688
"165552"	910.98664	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+2K-H"	76.91904
"605113"	1328.02044	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+2K-H"	76.91904
"1099346"	493.95284	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2K-H"	76.91904
"155921"	455.996958	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"2M+2K"	77.926316
"592563"	664.513858	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"3M+2K"	77.926316
"1083394"	247.480058	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2K"	77.926316
"1104817"	495.967392	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2K+H"	78.933592
"1340109"	496.055007	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+DMSO+H"	79.021207
"1011919"	500.094176	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2ACN+H"	83.060376
"1539282"	501.087808	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+IsoProp+Na+H"	84.054008
"1001960"	250.550726	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+2ACN+2H"	84.067652
"1599744"	502.002428	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+K+HCOOH"	84.968628
"1424310"	532.033938	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+H+CF3COOH"	115.000138
"1151322"	271.064001	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+3ACN+2H"	125.094202
"1698687"	549.060485	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+NH4+CF3COOH"	132.026685
"1640900"	554.01588	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+Na+CF3COOH"	136.98208
"1580925"	569.98982	"C11038"	"2-Deoxy-5-hydroxymethylcytidine-5-diphosphate"	"C10H17N3O11P2"	"417.0338"	"M+K+CF3COOH"	152.95602
"816282"	497.0002	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M"	0
"985918"	477.98181	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-H2O-H"	-19.01839
"67597"	330.326190666667	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M-3H"	-3.021828
"517125"	495.992924	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M-3H"	-3.021828
"891530"	164.659457333333	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-3H"	-3.021828
"12292"	495.992924	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M-2H"	-2.014552
"449665"	744.493024	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M-2H"	-2.014552
"826372"	247.492824	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-2H"	-2.014552
"85272"	992.993124	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M-H"	-1.007276
"528113"	1489.993324	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M-H"	-1.007276
"909196"	495.992924	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-H"	-1.007276
"59195"	1010.019671	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M-2H+NH4"	16.019271
"496567"	1507.019871	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M-2H+NH4"	16.019271
"878627"	513.019471	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-2H+NH4"	16.019271
"37899"	1014.975066	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M-2H+Na"	20.974666
"481834"	1511.975266	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M-2H+Na"	20.974666
"856356"	517.974866	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-2H+Na"	20.974666
"1629905"	517.974866	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Na-2H"	20.974666
"109638"	513.981263	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M-H+Cl"	33.962126
"549363"	762.481363	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M-H+Cl"	33.962126
"941336"	265.481163	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-H+Cl"	33.962126
"278070"	1028.969802	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+Cl"	34.969402
"667575"	1525.970002	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+Cl"	34.969402
"1281073"	531.969602	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Cl"	34.969402
"22536"	1030.949006	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M-2H+K"	36.948606
"464282"	1527.949206	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M-2H+K"	36.948606
"839897"	533.948806	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-2H+K"	36.948606
"1559738"	533.948806	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+K-2H"	36.948606
"944339"	541.998394	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-H+HCOOH"	44.998194
"362554"	1038.998601	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+HCOOH-H"	44.998201
"351178"	1053.014251	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+Hac-H"	59.013851
"1503295"	556.014051	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Hac-H"	59.013851
"966463"	563.980351	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-H+NaCOOH"	66.980151
"119743"	531.969602	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+2Cl"	69.938804
"557115"	780.469702	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+2Cl"	69.938804
"1029196"	283.469502	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2Cl"	69.938804
"1246220"	575.919085	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Br"	78.918885
"1306120"	577.975072	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Cl+HCOOH"	80.974872
"1322890"	599.957029	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Cl+NaCOOH"	102.956829
"915406"	609.985786	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M-H+CF3COOH"	112.985586
"1295398"	645.962464	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Cl+CF3COOH"	148.962264
"1382641"	461.987524	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H-2H2O"	-35.012676
"1397629"	479.9975	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H-H2O"	-17.0027
"298408"	995.007676	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+H"	1.007276
"691322"	1492.007876	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+H"	1.007276
"1366878"	498.007476	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H"	1.007276
"141393"	498.007476	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+2H"	2.014552
"571977"	746.507576	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+2H"	2.014552
"1044057"	249.507376	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2H"	2.014552
"210863"	332.340742666667	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+3H"	3.021828
"656984"	498.007476	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+3H"	3.021828
"1172925"	166.674009333333	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+3H"	3.021828
"429635"	1012.034223	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+NH4"	18.033823
"800598"	1509.034423	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+NH4"	18.033823
"1693523"	515.034023	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+NH4"	18.033823
"339615"	506.5207495	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+H+NH4"	19.041099
"730942"	755.0208495	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+H+NH4"	19.041099
"1489133"	258.0206495	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H+NH4"	19.041099
"400159"	1016.989618	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+Na"	22.989218
"768323"	1513.989818	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+Na"	22.989218
"1615449"	519.989418	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Na"	22.989218
"328035"	508.998447	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+H+Na"	23.996494
"718272"	757.498547	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+H+Na"	23.996494
"1471000"	260.498347	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H+Na"	23.996494
"1059870"	174.001323333333	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2H+Na"	25.00377
"1265925"	530.033686	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+CH3OH+H"	33.033486
"385594"	1032.963558	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+K"	38.963158
"751693"	1529.963758	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+K"	38.963158
"1552289"	535.963358	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+K"	38.963158
"310195"	516.985417	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+H+K"	39.970434
"704440"	765.485517	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+H+K"	39.970434
"1458628"	268.485317	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H+K"	39.970434
"249052"	1036.034226	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+ACN+H"	42.033826
"1224311"	539.034026	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+ACN+H"	42.033826
"1208196"	270.020651	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+ACN+2H"	43.041102
"202889"	1038.97156	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+2Na-H"	44.97116
"642940"	1535.97176	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+2Na-H"	44.97116
"1146328"	541.97136	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2Na-H"	44.97116
"187428"	519.989418	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+2Na"	45.978436
"627347"	768.489518	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+2Na"	45.978436
"1130370"	271.489318	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2Na"	45.978436
"1413936"	181.328637333333	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H+2Na"	46.985712
"1444305"	544.012946	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H+HCOOH"	47.012746
"228165"	525.02244	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+3H2O+2H"	56.04448
"1512951"	558.06499	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+IsoProp+H"	61.06479
"418108"	527.976388	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+Na+K"	61.952376
"785632"	776.476488	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+Na+K"	61.952376
"1678351"	279.476288	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Na+K"	61.952376
"266699"	1058.016168	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+ACN+Na"	64.015768
"1240866"	561.015968	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+ACN+Na"	64.015768
"1723555"	561.039493	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+NH4+HCOOH"	64.039293
"1186719"	188.655951333333	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+3Na"	68.967654
"1665372"	565.994888	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Na+HCOOH"	68.994688
"166756"	1070.91944	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+2K-H"	76.91904
"607410"	1567.91964	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+2K-H"	76.91904
"1098484"	573.91924	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2K-H"	76.91904
"155789"	535.963358	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"2M+2K"	77.926316
"594861"	784.463458	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"3M+2K"	77.926316
"1082532"	287.463258	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2K"	77.926316
"1107114"	575.933792	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2K+H"	78.933592
"1343499"	576.021407	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+DMSO+H"	79.021207
"1015310"	580.060576	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2ACN+H"	83.060376
"1539634"	581.054208	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+IsoProp+Na+H"	84.054008
"1005231"	290.533926	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+2ACN+2H"	84.067652
"1601318"	581.968828	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+K+HCOOH"	84.968628
"1427701"	612.000338	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+H+CF3COOH"	115.000138
"1154712"	311.047201	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+3ACN+2H"	125.094202
"1702077"	629.026885	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+NH4+CF3COOH"	132.026685
"1635541"	633.98228	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+Na+CF3COOH"	136.98208
"1581035"	649.95622	"C11039"	"2-Deoxy-5-hydroxymethylcytidine-5-triphosphate"	"C10H18N3O14P3"	"497.0002"	"M+K+CF3COOH"	152.95602
"812495"	170.9643	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M"	0
"986028"	151.94591	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-H2O-H"	-19.01839
"67707"	112.968924	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M-3H"	-3.021828
"517235"	169.957024	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M-3H"	-3.021828
"887267"	55.980824	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-3H"	-3.021828
"9121"	169.957024	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M-2H"	-2.014552
"448682"	255.439174	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M-2H"	-2.014552
"822110"	84.474874	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-2H"	-2.014552
"84289"	340.921324	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M-H"	-1.007276
"523850"	511.885624	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M-H"	-1.007276
"907847"	169.957024	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-H"	-1.007276
"54934"	357.947871	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M-2H+NH4"	16.019271
"495585"	528.912171	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M-2H+NH4"	16.019271
"874482"	186.983571	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-2H+NH4"	16.019271
"32784"	362.903266	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M-2H+Na"	20.974666
"475384"	533.867566	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M-2H+Na"	20.974666
"854278"	191.938966	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-2H+Na"	20.974666
"1631473"	191.938966	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Na-2H"	20.974666
"108003"	187.945363	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M-H+Cl"	33.962126
"545380"	273.427513	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M-H+Cl"	33.962126
"936705"	102.463213	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-H+Cl"	33.962126
"277450"	376.898002	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+Cl"	34.969402
"667682"	547.862302	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+Cl"	34.969402
"1282276"	205.933702	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Cl"	34.969402
"22646"	378.877206	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M-2H+K"	36.948606
"464392"	549.841506	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M-2H+K"	36.948606
"838185"	207.912906	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-2H+K"	36.948606
"1560215"	207.912906	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+K-2H"	36.948606
"943151"	215.962494	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-H+HCOOH"	44.998194
"365947"	386.926801	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+HCOOH-H"	44.998201
"350560"	400.942451	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+Hac-H"	59.013851
"1502312"	229.978151	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Hac-H"	59.013851
"966573"	237.944451	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-H+NaCOOH"	66.980151
"118760"	205.933702	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+2Cl"	69.938804
"559412"	291.415852	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+2Cl"	69.938804
"1028213"	120.451552	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2Cl"	69.938804
"1249978"	249.883185	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Br"	78.918885
"1313518"	251.939172	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Cl+HCOOH"	80.974872
"1320930"	273.921129	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Cl+NaCOOH"	102.956829
"916245"	283.949886	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M-H+CF3COOH"	112.985586
"1294415"	319.926564	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Cl+CF3COOH"	148.962264
"1381697"	135.951624	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H-2H2O"	-35.012676
"1395552"	153.9616	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H-H2O"	-17.0027
"293050"	342.935876	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+H"	1.007276
"680004"	513.900176	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+H"	1.007276
"1364006"	171.971576	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H"	1.007276
"140544"	171.971576	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+2H"	2.014552
"572087"	257.453726	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+2H"	2.014552
"1044169"	86.489426	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2H"	2.014552
"212067"	114.983476	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+3H"	3.021828
"654907"	171.971576	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+3H"	3.021828
"1171941"	57.995376	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+3H"	3.021828
"430839"	359.962423	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+NH4"	18.033823
"790740"	530.926723	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+NH4"	18.033823
"1683790"	188.998123	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+NH4"	18.033823
"337537"	180.4848495	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+H+NH4"	19.041099
"729958"	265.9669995	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+H+NH4"	19.041099
"1487057"	95.0026995	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H+NH4"	19.041099
"399176"	364.917818	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+Na"	22.989218
"764544"	535.882118	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+Na"	22.989218
"1613736"	193.953518	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Na"	22.989218
"321586"	182.962547	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+H+Na"	23.996494
"716195"	268.444697	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+H+Na"	23.996494
"1466736"	97.480397	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H+Na"	23.996494
"1055608"	65.32269	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2H+Na"	25.00377
"1258744"	203.997786	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+CH3OH+H"	33.033486
"382423"	380.891758	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+K"	38.963158
"745608"	551.856058	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+K"	38.963158
"1546569"	209.927458	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+K"	38.963158
"308120"	190.949517	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+H+K"	39.970434
"700541"	276.431667	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+H+K"	39.970434
"1457644"	105.467367	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H+K"	39.970434
"248070"	383.962426	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+ACN+H"	42.033826
"1222601"	212.998126	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+ACN+H"	42.033826
"1208307"	107.002701	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+ACN+2H"	43.041102
"203001"	386.89976	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+2Na-H"	44.97116
"642195"	557.86406	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+2Na-H"	44.97116
"1145461"	215.93546	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2Na-H"	44.97116
"187050"	193.953518	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+2Na"	45.978436
"626001"	279.435668	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+2Na"	45.978436
"1128048"	108.471368	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2Na"	45.978436
"1413517"	72.650004	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H+2Na"	46.985712
"1439673"	217.977046	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H+HCOOH"	47.012746
"228283"	198.98654	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+3H2O+2H"	56.04448
"1514156"	232.02909	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+IsoProp+H"	61.06479
"422961"	201.940488	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+Na+K"	61.952376
"784326"	287.422638	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+Na+K"	61.952376
"1677732"	116.458338	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Na+K"	61.952376
"266083"	405.944368	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+ACN+Na"	64.015768
"1239882"	234.980068	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+ACN+Na"	64.015768
"1726945"	235.003593	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+NH4+HCOOH"	64.039293
"1190109"	79.977318	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+3Na"	68.967654
"1662190"	239.958988	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Na+HCOOH"	68.994688
"166866"	418.84764	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+2K-H"	76.91904
"607522"	589.81194	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+2K-H"	76.91904
"1095314"	247.88334	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2K-H"	76.91904
"155049"	209.927458	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"2M+2K"	77.926316
"591687"	295.409608	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"3M+2K"	77.926316
"1080576"	124.445308	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2K"	77.926316
"1109412"	249.897892	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2K+H"	78.933592
"1349079"	249.985507	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+DMSO+H"	79.021207
"1016515"	254.024676	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2ACN+H"	83.060376
"1532452"	255.018308	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+IsoProp+Na+H"	84.054008
"1004367"	127.515976	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+2ACN+2H"	84.067652
"1599964"	255.932928	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+K+HCOOH"	84.968628
"1428904"	285.964438	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+H+CF3COOH"	115.000138
"1154821"	148.029251	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+3ACN+2H"	125.094202
"1705467"	302.990985	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+NH4+CF3COOH"	132.026685
"1634559"	307.94638	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+Na+CF3COOH"	136.98208
"1581145"	323.92032	"C11040"	"Dichlobenil;26-Dichlorobenzonitrile"	"C7H3Cl2N"	"170.9643"	"M+K+CF3COOH"	152.95602
"813699"	204.952	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M"	0
"989473"	185.93361	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-H2O-H"	-19.01839
"78150"	135.627390666667	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M-3H"	-3.021828
"518374"	203.944724	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M-3H"	-3.021828
"889564"	67.3100573333333	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-3H"	-3.021828
"11421"	203.944724	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M-2H"	-2.014552
"449887"	306.420724	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M-2H"	-2.014552
"825501"	101.468724	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-2H"	-2.014552
"86588"	408.896724	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M-H"	-1.007276
"528335"	613.848724	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M-H"	-1.007276
"907595"	203.944724	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-H"	-1.007276
"57961"	425.923271	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M-2H+NH4"	16.019271
"498979"	630.875271	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M-2H+NH4"	16.019271
"875686"	220.971271	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-2H+NH4"	16.019271
"43952"	430.878666	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M-2H+Na"	20.974666
"482054"	635.830666	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M-2H+Na"	20.974666
"860950"	225.926666	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-2H+Na"	20.974666
"1631947"	225.926666	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Na-2H"	20.974666
"109209"	221.933063	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M-H+Cl"	33.962126
"549259"	324.409063	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M-H+Cl"	33.962126
"941194"	119.457063	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-H+Cl"	33.962126
"278655"	444.873402	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+Cl"	34.969402
"672170"	649.825402	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+Cl"	34.969402
"1283481"	239.921402	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Cl"	34.969402
"24944"	446.852606	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M-2H+K"	36.948606
"467785"	651.804606	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M-2H+K"	36.948606
"843399"	241.900606	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-2H+K"	36.948606
"1566889"	241.900606	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+K-2H"	36.948606
"953678"	249.950194	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-H+HCOOH"	44.998194
"370799"	454.902201	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+HCOOH-H"	44.998201
"359424"	468.917851	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+Hac-H"	59.013851
"1504976"	263.965851	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Hac-H"	59.013851
"967777"	271.932151	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-H+NaCOOH"	66.980151
"121424"	239.921402	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+2Cl"	69.938804
"562079"	342.397402	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+2Cl"	69.938804
"1029418"	137.445402	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2Cl"	69.938804
"1250089"	283.870885	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Br"	78.918885
"1308891"	285.926872	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Cl+HCOOH"	80.974872
"1322015"	307.908829	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Cl+NaCOOH"	102.956829
"915627"	317.937586	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M-H+CF3COOH"	112.985586
"1295619"	353.914264	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Cl+CF3COOH"	148.962264
"1380718"	169.939324	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H-2H2O"	-35.012676
"1396391"	187.9493	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H-H2O"	-17.0027
"292067"	410.911276	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+H"	1.007276
"681207"	615.863276	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+H"	1.007276
"1363025"	205.959276	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H"	1.007276
"134821"	205.959276	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+2H"	2.014552
"569280"	308.435276	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+2H"	2.014552
"1042090"	103.483276	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2H"	2.014552
"215457"	137.641942666667	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+3H"	3.021828
"650645"	205.959276	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+3H"	3.021828
"1165854"	69.3246093333333	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+3H"	3.021828
"428033"	427.937823	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+NH4"	18.033823
"787568"	632.889823	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+NH4"	18.033823
"1685359"	222.985823	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+NH4"	18.033823
"338740"	214.4725495	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+H+NH4"	19.041099
"731161"	316.9485495	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+H+NH4"	19.041099
"1484981"	111.9965495	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H+NH4"	19.041099
"401473"	432.893218	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+Na"	22.989218
"766842"	637.845218	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+Na"	22.989218
"1611659"	227.941218	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Na"	22.989218
"323881"	216.950247	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+H+Na"	23.996494
"715211"	319.426247	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+H+Na"	23.996494
"1471220"	114.474247	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H+Na"	23.996494
"1055717"	76.6519233333333	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2H+Na"	25.00377
"1259582"	237.985486	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+CH3OH+H"	33.033486
"381440"	448.867158	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+K"	38.963158
"742437"	653.819158	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+K"	38.963158
"1544493"	243.915158	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+K"	38.963158
"308961"	224.937217	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+H+K"	39.970434
"704299"	327.413217	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+H+K"	39.970434
"1458848"	122.461217	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H+K"	39.970434
"244168"	451.937826	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+ACN+H"	42.033826
"1223074"	246.985826	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+ACN+H"	42.033826
"1206594"	123.996551	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+ACN+2H"	43.041102
"202019"	454.87516	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+2Na-H"	44.97116
"643039"	659.82716	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+2Na-H"	44.97116
"1145812"	249.92316	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2Na-H"	44.97116
"187771"	227.941218	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+2Na"	45.978436
"627938"	330.417218	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+2Na"	45.978436
"1129252"	125.465218	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2Na"	45.978436
"1412656"	83.9792373333333	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H+2Na"	46.985712
"1436509"	251.964746	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H+HCOOH"	47.012746
"230580"	232.97424	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+3H2O+2H"	56.04448
"1520829"	266.01679	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+IsoProp+H"	61.06479
"423078"	235.928188	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+Na+K"	61.952376
"784438"	338.404188	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+Na+K"	61.952376
"1680040"	133.452188	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Na+K"	61.952376
"265832"	473.919768	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+ACN+Na"	64.015768
"1240361"	268.967768	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+ACN+Na"	64.015768
"1724877"	268.991293	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+NH4+HCOOH"	64.039293
"1186942"	91.3065513333333	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+3Na"	68.967654
"1662302"	273.946688	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Na+HCOOH"	68.994688
"168442"	486.82304	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+2K-H"	76.91904
"608005"	691.77504	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+2K-H"	76.91904
"1095796"	281.87104	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2K-H"	76.91904
"151886"	243.915158	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"2M+2K"	77.926316
"595688"	346.391158	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"3M+2K"	77.926316
"1082146"	141.439158	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2K"	77.926316
"1112447"	283.885592	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2K+H"	78.933592
"1346641"	283.973207	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+DMSO+H"	79.021207
"1016996"	288.012376	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2ACN+H"	83.060376
"1537670"	289.006008	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+IsoProp+Na+H"	84.054008
"1002661"	144.509826	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+2ACN+2H"	84.067652
"1600080"	289.920628	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+K+HCOOH"	84.968628
"1429020"	319.952138	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+H+CF3COOH"	115.000138
"1162468"	165.023101	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+3ACN+2H"	125.094202
"1708857"	336.978685	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+NH4+CF3COOH"	132.026685
"1639040"	341.93408	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+Na+CF3COOH"	136.98208
"1581255"	357.90802	"C11041"	"Chlorthiamid;26-Dichlorothiobenzamide"	"C7H5Cl2NS"	"204.952"	"M+K+CF3COOH"	152.95602
"813809"	281.8131	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M"	0
"986248"	262.79471	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-H2O-H"	-19.01839
"70115"	186.868124	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M-3H"	-3.021828
"515145"	280.805824	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M-3H"	-3.021828
"893676"	92.930424	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-3H"	-3.021828
"12624"	280.805824	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M-2H"	-2.014552
"454009"	421.712374	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M-2H"	-2.014552
"823425"	139.899274	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-2H"	-2.014552
"91438"	562.618924	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M-H"	-1.007276
"530999"	844.432024	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M-H"	-1.007276
"908069"	280.805824	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-H"	-1.007276
"60257"	579.645471	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M-2H+NH4"	16.019271
"500184"	861.458571	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M-2H+NH4"	16.019271
"874703"	297.832371	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-2H+NH4"	16.019271
"44792"	584.600866	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M-2H+Na"	20.974666
"482894"	866.413966	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M-2H+Na"	20.974666
"861060"	302.787766	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-2H+Na"	20.974666
"1631328"	302.787766	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Na-2H"	20.974666
"109316"	298.794163	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M-H+Cl"	33.962126
"548639"	439.700713	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M-H+Cl"	33.962126
"942156"	157.887613	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-H+Cl"	33.962126
"280225"	598.595602	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+Cl"	34.969402
"672280"	880.408702	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+Cl"	34.969402
"1286144"	316.782502	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Cl"	34.969402
"26148"	600.574806	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M-2H+K"	36.948606
"469718"	882.387906	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M-2H+K"	36.948606
"845332"	318.761706	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-2H+K"	36.948606
"1569552"	318.761706	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+K-2H"	36.948606
"955977"	326.811294	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-H+HCOOH"	44.998194
"373097"	608.624401	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+HCOOH-H"	44.998201
"359168"	622.640051	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+Hac-H"	59.013851
"1506179"	340.826951	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Hac-H"	59.013851
"968616"	348.793251	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-H+NaCOOH"	66.980151
"122263"	316.782502	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+2Cl"	69.938804
"563646"	457.689052	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+2Cl"	69.938804
"1031717"	175.875952	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2Cl"	69.938804
"1252386"	360.731985	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Br"	78.918885
"1309368"	362.787972	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Cl+HCOOH"	80.974872
"1322855"	384.769929	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Cl+NaCOOH"	102.956829
"917924"	394.798686	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M-H+CF3COOH"	112.985586
"1297915"	430.775364	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Cl+CF3COOH"	148.962264
"1380951"	246.800424	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H-2H2O"	-35.012676
"1394678"	264.8104	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H-H2O"	-17.0027
"293271"	564.633476	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+H"	1.007276
"686787"	846.446576	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+H"	1.007276
"1359855"	282.820376	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H"	1.007276
"129465"	282.820376	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+2H"	2.014552
"571212"	423.726926	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+2H"	2.014552
"1044387"	141.913826	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2H"	2.014552
"210102"	188.882676	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+3H"	3.021828
"652942"	282.820376	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+3H"	3.021828
"1165962"	94.944976	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+3H"	3.021828
"426684"	581.660023	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+NH4"	18.033823
"789501"	863.473123	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+NH4"	18.033823
"1684008"	299.846923	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+NH4"	18.033823
"334476"	291.3336495	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+H+NH4"	19.041099
"732365"	432.2401995	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+H+NH4"	19.041099
"1482904"	150.4270995	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H+NH4"	19.041099
"400490"	586.615418	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+Na"	22.989218
"765858"	868.428518	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+Na"	22.989218
"1610676"	304.802318	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Na"	22.989218
"323994"	293.811347	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+H+Na"	23.996494
"714227"	434.717897	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+H+Na"	23.996494
"1471330"	152.904797	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H+Na"	23.996494
"1053644"	102.27229	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2H+Na"	25.00377
"1257871"	314.846586	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+CH3OH+H"	33.033486
"378272"	602.589358	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+K"	38.963158
"741820"	884.402458	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+K"	38.963158
"1544606"	320.776258	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+K"	38.963158
"312351"	301.798317	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+H+K"	39.970434
"705137"	442.704867	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+H+K"	39.970434
"1458958"	160.891767	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H+K"	39.970434
"249382"	605.660026	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+ACN+H"	42.033826
"1224278"	323.846926	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+ACN+H"	42.033826
"1208162"	162.427101	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+ACN+2H"	43.041102
"203834"	608.59736	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+2Na-H"	44.97116
"643714"	890.41046	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+2Na-H"	44.97116
"1146776"	326.78426	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2Na-H"	44.97116
"187877"	304.802318	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+2Na"	45.978436
"628393"	445.708868	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+2Na"	45.978436
"1130824"	163.895768	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2Na"	45.978436
"1413742"	109.599604	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H+2Na"	46.985712
"1439899"	328.825846	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H+HCOOH"	47.012746
"230690"	309.83534	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+3H2O+2H"	56.04448
"1521669"	342.87789	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+IsoProp+H"	61.06479
"423716"	312.789288	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+Na+K"	61.952376
"784183"	453.695838	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+Na+K"	61.952376
"1680152"	171.882738	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Na+K"	61.952376
"265214"	627.641968	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+ACN+Na"	64.015768
"1238286"	345.828868	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+ACN+Na"	64.015768
"1725715"	345.852393	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+NH4+HCOOH"	64.039293
"1191063"	116.926918	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+3Na"	68.967654
"1659134"	350.807788	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Na+HCOOH"	68.994688
"168553"	640.54524	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+2K-H"	76.91904
"608842"	922.35834	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+2K-H"	76.91904
"1096998"	358.73214	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2K-H"	76.91904
"150903"	320.776258	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"2M+2K"	77.926316
"594464"	461.682808	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"3M+2K"	77.926316
"1081891"	179.869708	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2K"	77.926316
"1114132"	360.746692	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2K+H"	78.933592
"1348573"	360.834307	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+DMSO+H"	79.021207
"1018198"	364.873476	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2ACN+H"	83.060376
"1538871"	365.867108	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+IsoProp+Na+H"	84.054008
"1003503"	182.940376	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+2ACN+2H"	84.067652
"1601891"	366.781728	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+K+HCOOH"	84.968628
"1429373"	396.813238	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+H+CF3COOH"	115.000138
"1159415"	203.453651	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+3ACN+2H"	125.094202
"1705686"	413.839785	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+NH4+CF3COOH"	132.026685
"1636964"	418.79518	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+Na+CF3COOH"	136.98208
"1581365"	434.76912	"C11042"	"Hexachlorobenzene;HCB"	"C6Cl6"	"281.8131"	"M+K+CF3COOH"	152.95602
"816717"	344.0138	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M"	0
"988912"	324.99541	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-H2O-H"	-19.01839
"71320"	228.335257333333	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M-3H"	-3.021828
"515255"	343.006524	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M-3H"	-3.021828
"893422"	113.663990666667	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-3H"	-3.021828
"13828"	343.006524	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M-2H"	-2.014552
"454118"	515.013424	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M-2H"	-2.014552
"829002"	170.999624	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-2H"	-2.014552
"93007"	687.020324	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M-H"	-1.007276
"531473"	1031.034124	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M-H"	-1.007276
"908178"	343.006524	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-H"	-1.007276
"60732"	704.046871	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M-2H+NH4"	16.019271
"497739"	1048.060671	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M-2H+NH4"	16.019271
"867156"	360.033071	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-2H+NH4"	16.019271
"38338"	709.002266	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M-2H+Na"	20.974666
"482273"	1053.016066	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M-2H+Na"	20.974666
"854608"	364.988466	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-2H+Na"	20.974666
"1633506"	364.988466	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Na-2H"	20.974666
"109184"	360.994863	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M-H+Cl"	33.962126
"549319"	533.001763	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M-H+Cl"	33.962126
"942271"	188.987963	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-H+Cl"	33.962126
"281427"	722.997002	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+Cl"	34.969402
"674578"	1067.010802	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+Cl"	34.969402
"1287347"	378.983202	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Cl"	34.969402
"27352"	724.976206	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M-2H+K"	36.948606
"471304"	1068.990006	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M-2H+K"	36.948606
"841434"	380.962406	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-2H+K"	36.948606
"1568570"	380.962406	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+K-2H"	36.948606
"954628"	389.011994	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-H+HCOOH"	44.998194
"376003"	733.025801	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+HCOOH-H"	44.998201
"359645"	747.041451	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+Hac-H"	59.013851
"1508223"	403.027651	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Hac-H"	59.013851
"969456"	410.993951	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-H+NaCOOH"	66.980151
"120188"	378.983202	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+2Cl"	69.938804
"560478"	550.990102	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+2Cl"	69.938804
"1035475"	206.976302	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2Cl"	69.938804
"1248123"	422.932685	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Br"	78.918885
"1306562"	424.988672	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Cl+HCOOH"	80.974872
"1323699"	446.970629	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Cl+NaCOOH"	102.956829
"925694"	456.999386	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M-H+CF3COOH"	112.985586
"1303498"	492.976064	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Cl+CF3COOH"	148.962264
"1381545"	309.001124	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H-2H2O"	-35.012676
"1394788"	327.0111	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H-H2O"	-17.0027
"290102"	689.034876	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+H"	1.007276
"688355"	1033.048676	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+H"	1.007276
"1356686"	345.021076	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H"	1.007276
"136137"	345.021076	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+2H"	2.014552
"575696"	517.027976	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+2H"	2.014552
"1044497"	173.014176	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2H"	2.014552
"209118"	230.349809333333	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+3H"	3.021828
"650136"	345.021076	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+3H"	3.021828
"1165707"	115.678542666667	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+3H"	3.021828
"427521"	706.061423	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+NH4"	18.033823
"791434"	1050.075223	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+NH4"	18.033823
"1687035"	362.047623	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+NH4"	18.033823
"336043"	353.5343495	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+H+NH4"	19.041099
"731382"	525.5412495	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+H+NH4"	19.041099
"1482286"	181.5274495	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H+NH4"	19.041099
"403518"	711.016818	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+Na"	22.989218
"762689"	1055.030618	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+Na"	22.989218
"1610789"	367.003018	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Na"	22.989218
"321917"	356.012047	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+H+Na"	23.996494
"716526"	528.018947	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+H+Na"	23.996494
"1468160"	184.005147	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H+Na"	23.996494
"1054607"	123.005856666667	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2H+Na"	25.00377
"1259081"	377.047286	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+CH3OH+H"	33.033486
"377894"	726.990758	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+K"	38.963158
"740104"	1071.004558	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+K"	38.963158
"1545806"	382.976958	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+K"	38.963158
"305168"	363.999017	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+H+K"	39.970434
"699777"	536.005917	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+H+K"	39.970434
"1460937"	191.992117	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H+K"	39.970434
"250345"	730.061426	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+ACN+H"	42.033826
"1223658"	386.047626	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+ACN+H"	42.033826
"1209001"	193.527451	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+ACN+2H"	43.041102
"201871"	732.99876	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+2Na-H"	44.97116
"643829"	1077.01256	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+2Na-H"	44.97116
"1147032"	388.98496	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2Na-H"	44.97116
"188545"	367.003018	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+2Na"	45.978436
"628476"	539.009918	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+2Na"	45.978436
"1127652"	194.996118	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2Na"	45.978436
"1413606"	130.333170666667	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H+2Na"	46.985712
"1435636"	391.026546	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H+HCOOH"	47.012746
"234081"	372.03604	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+3H2O+2H"	56.04448
"1524019"	405.07859	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+IsoProp+H"	61.06479
"423625"	374.989988	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+Na+K"	61.952376
"785065"	546.996888	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+Na+K"	61.952376
"1681072"	202.983088	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Na+K"	61.952376
"266536"	752.043368	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+ACN+Na"	64.015768
"1241157"	408.029568	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+ACN+Na"	64.015768
"1727734"	408.053093	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+NH4+HCOOH"	64.039293
"1192631"	137.660484666667	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+3Na"	68.967654
"1664952"	413.008488	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Na+HCOOH"	68.994688
"170475"	764.94664	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+2K-H"	76.91904
"611132"	1108.96044	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+2K-H"	76.91904
"1097835"	420.93284	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2K-H"	76.91904
"155017"	382.976958	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"2M+2K"	77.926316
"592024"	554.983858	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"3M+2K"	77.926316
"1078728"	210.970058	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2K"	77.926316
"1109385"	422.947392	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2K+H"	78.933592
"1347225"	423.035007	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+DMSO+H"	79.021207
"1019399"	427.074176	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2ACN+H"	83.060376
"1537160"	428.067808	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+IsoProp+Na+H"	84.054008
"1004338"	214.040726	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+2ACN+2H"	84.067652
"1601271"	428.982428	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+K+HCOOH"	84.968628
"1428510"	459.013938	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+H+CF3COOH"	115.000138
"1160621"	234.554001	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+3ACN+2H"	125.094202
"1710173"	476.040485	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+NH4+CF3COOH"	132.026685
"1641450"	480.99588	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+Na+CF3COOH"	136.98208
"1581475"	496.96982	"C11043"	"Methoxychlor"	"C16H15Cl3O2"	"344.0138"	"M+K+CF3COOH"	152.95602
"802038"	339.8783	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M"	0
"974839"	320.85991	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"70337"	225.578257333333	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"508802"	338.871024	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"883323"	112.285490666667	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"11751"	338.871024	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"454592"	508.810174	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"825832"	168.931874	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"92385"	678.749324	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"531947"	1018.627624	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"907923"	338.871024	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"59383"	695.775871	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"494933"	1035.654171	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"869453"	355.897571	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"38448"	700.731266	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"475822"	1040.609566	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"854718"	360.852966	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1632401"	360.852966	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"109836"	356.859363	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"549555"	526.798513	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"942385"	186.920213	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"282025"	714.726002	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"674688"	1054.604302	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1287945"	374.847702	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"27462"	716.705206	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"470304"	1056.583506	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"847376"	376.826906	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1568314"	376.826906	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"955468"	384.876494	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"377063"	724.754801	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"361199"	738.770451	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1508147"	398.892151	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"969566"	406.858451	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"124428"	374.847702	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"563866"	544.786852	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1035218"	204.908552	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1246044"	418.797185	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1310680"	420.853172	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1327082"	442.835129	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"919236"	452.863886	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1295949"	488.840564	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1382021"	304.865624	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1395991"	322.8756	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"292399"	680.763876	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"687372"	1020.642176	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1362264"	340.885576	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"126770"	340.885576	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"569246"	510.824726	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1044608"	170.946426	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"209229"	227.592809333333	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"647694"	340.885576	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1164723"	114.300042666667	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"427266"	697.790423	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"789721"	1037.668723	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1686415"	357.912123	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"333964"	349.3988495	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"733680"	519.3379995	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1482030"	179.4596995	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"402896"	702.745818	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"762800"	1042.624118	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1609803"	362.867518	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"322025"	351.876547	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"715543"	521.815697	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1467178"	181.937397	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1054231"	121.627356666667	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1258827"	372.911786	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"377274"	718.719758	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"740582"	1058.598058	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1548104"	378.841458	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"311478"	359.863517	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"703170"	529.802667	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1458087"	189.924367	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"250211"	721.790426	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1223770"	381.912126	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1209566"	191.459701	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"201252"	724.72776	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"644065"	1064.60606	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1146888"	384.84946	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"188064"	362.867518	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"628377"	532.806668	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1127762"	192.928368	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1412866"	128.954670666667	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1443401"	386.891046	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"233098"	367.90054	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1524029"	400.94309	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"423657"	370.854488	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"784277"	540.793638	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1681178"	200.915338	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"266523"	743.772368	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1240903"	403.894068	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1728239"	403.917593	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1189464"	136.281984666667	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1664090"	408.872988	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"171319"	756.67564	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"610518"	1096.55394	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1096490"	416.79734	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"152941"	378.841458	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"592866"	548.780608	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1079567"	208.902308	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1109495"	418.811892	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1347703"	418.899507	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1019145"	422.938676	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1535084"	423.932308	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1003355"	211.972976	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1602232"	424.846928	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1429763"	454.878438	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1160731"	232.486251	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1711376"	471.904985	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1641560"	476.86038	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1581585"	492.83432	"C11044"	"22445-Pentachlorodiphenyl ether;124-Trichloro-5-(24-dichlorophenoxy)benzene"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"810856"	294.1216	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M"	0
"980014"	275.10321	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-H2O-H"	-19.01839
"71539"	195.073790666667	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M-3H"	-3.021828
"512194"	293.114324	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M-3H"	-3.021828
"891088"	97.0332573333333	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-3H"	-3.021828
"13683"	293.114324	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M-2H"	-2.014552
"454219"	440.175124	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M-2H"	-2.014552
"830807"	146.053524	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-2H"	-2.014552
"93472"	587.235924	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M-H"	-1.007276
"533398"	881.357524	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M-H"	-1.007276
"910105"	293.114324	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-H"	-1.007276
"61200"	604.262471	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M-2H+NH4"	16.019271
"501248"	898.384071	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M-2H+NH4"	16.019271
"875395"	310.140871	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-2H+NH4"	16.019271
"40745"	609.217866	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M-2H+Na"	20.974666
"475932"	903.339466	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M-2H+Na"	20.974666
"857015"	315.096266	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-2H+Na"	20.974666
"1632269"	315.096266	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Na-2H"	20.974666
"109292"	311.102663	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M-H+Cl"	33.962126
"548971"	458.163463	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M-H+Cl"	33.962126
"942527"	164.041863	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-H+Cl"	33.962126
"278002"	623.212602	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+Cl"	34.969402
"672489"	917.334202	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+Cl"	34.969402
"1283559"	329.091002	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Cl"	34.969402
"27570"	625.191806	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M-2H+K"	36.948606
"468588"	919.313406	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M-2H+K"	36.948606
"841651"	331.070206	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-2H+K"	36.948606
"1567326"	331.070206	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+K-2H"	36.948606
"951928"	339.119794	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-H+HCOOH"	44.998194
"372330"	633.241401	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+HCOOH-H"	44.998201
"351839"	647.257051	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+Hac-H"	59.013851
"1503956"	353.135451	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Hac-H"	59.013851
"964935"	361.101751	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-H+NaCOOH"	66.980151
"119310"	329.091002	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+2Cl"	69.938804
"560329"	476.151802	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+2Cl"	69.938804
"1033867"	182.030202	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2Cl"	69.938804
"1250529"	373.040485	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Br"	78.918885
"1309696"	375.096472	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Cl+HCOOH"	80.974872
"1330475"	397.078429	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Cl+NaCOOH"	102.956829
"922627"	407.107186	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M-H+CF3COOH"	112.985586
"1294961"	443.083864	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Cl+CF3COOH"	148.962264
"1376406"	259.108924	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H-2H2O"	-35.012676
"1395008"	277.1189	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H-H2O"	-17.0027
"292509"	589.250476	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+H"	1.007276
"688210"	883.372076	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+H"	1.007276
"1356907"	295.128876	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H"	1.007276
"135263"	295.128876	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+2H"	2.014552
"568263"	442.189676	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+2H"	2.014552
"1044718"	148.068076	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2H"	2.014552
"208246"	197.088342666667	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+3H"	3.021828
"646712"	295.128876	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+3H"	3.021828
"1164832"	99.0478093333333	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+3H"	3.021828
"428469"	606.277023	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+NH4"	18.033823
"791287"	900.398623	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+NH4"	18.033823
"1688714"	312.155423	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+NH4"	18.033823
"340276"	303.6421495	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+H+NH4"	19.041099
"735977"	450.7029495	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+H+NH4"	19.041099
"1488702"	156.5813495	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H+NH4"	19.041099
"404102"	611.232418	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+Na"	22.989218
"763638"	905.354018	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+Na"	22.989218
"1613192"	317.110818	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Na"	22.989218
"322135"	306.119847	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+H+Na"	23.996494
"717841"	453.180647	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+H+Na"	23.996494
"1469475"	159.059047	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H+Na"	23.996494
"1054220"	106.375123333333	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2H+Na"	25.00377
"1257102"	327.155086	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+CH3OH+H"	33.033486
"377238"	627.206358	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+K"	38.963158
"741785"	921.327958	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+K"	38.963158
"1544934"	333.084758	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+K"	38.963158
"306485"	314.106817	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+H+K"	39.970434
"704374"	461.167617	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+H+K"	39.970434
"1458924"	167.046017	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H+K"	39.970434
"248619"	630.277026	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+ACN+H"	42.033826
"1222058"	336.155426	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+ACN+H"	42.033826
"1208616"	168.581351	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+ACN+2H"	43.041102
"204207"	633.21436	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+2Na-H"	44.97116
"642749"	927.33596	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+2Na-H"	44.97116
"1146832"	339.09276	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2Na-H"	44.97116
"188210"	317.110818	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+2Na"	45.978436
"627896"	464.171618	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+2Na"	45.978436
"1129452"	170.050018	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2Na"	45.978436
"1413588"	113.702437333333	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H+2Na"	46.985712
"1444364"	341.134346	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H+HCOOH"	47.012746
"234185"	322.14384	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+3H2O+2H"	56.04448
"1523997"	355.18639	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+IsoProp+H"	61.06479
"423403"	325.097788	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+Na+K"	61.952376
"784144"	472.158588	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+Na+K"	61.952376
"1680970"	178.036988	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Na+K"	61.952376
"266401"	652.258968	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+ACN+Na"	64.015768
"1240685"	358.137368	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+ACN+Na"	64.015768
"1727747"	358.160893	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+NH4+HCOOH"	64.039293
"1190669"	121.029751333333	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+3Na"	68.967654
"1662016"	363.116288	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Na+HCOOH"	68.994688
"170340"	665.16224	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+2K-H"	76.91904
"609537"	959.28384	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+2K-H"	76.91904
"1094779"	371.04064	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2K-H"	76.91904
"152687"	333.084758	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"2M+2K"	77.926316
"591518"	480.145558	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"3M+2K"	77.926316
"1079677"	186.023958	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2K"	77.926316
"1112521"	373.055192	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2K+H"	78.933592
"1348543"	373.142807	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+DMSO+H"	79.021207
"1018894"	377.181976	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2ACN+H"	83.060376
"1535925"	378.175608	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+IsoProp+Na+H"	84.054008
"1004195"	189.094626	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+2ACN+2H"	84.067652
"1601250"	379.090228	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+K+HCOOH"	84.968628
"1429463"	409.121738	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+H+CF3COOH"	115.000138
"1160842"	209.607901	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+3ACN+2H"	125.094202
"1711486"	426.148285	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+NH4+CF3COOH"	132.026685
"1641670"	431.10368	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+Na+CF3COOH"	136.98208
"1581695"	447.07762	"C11045"	"Aspartame"	"C14H18N2O5"	"294.1216"	"M+K+CF3COOH"	152.95602
"803311"	720.2629	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M"	0
"979031"	701.24451	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-H2O-H"	-19.01839
"73836"	479.167990666667	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M-3H"	-3.021828
"509022"	719.255624	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M-3H"	-3.021828
"886823"	239.080357333333	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-3H"	-3.021828
"15497"	719.255624	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M-2H"	-2.014552
"455177"	1079.387074	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M-2H"	-2.014552
"832377"	359.124174	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-2H"	-2.014552
"93588"	1439.518524	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M-H"	-1.007276
"533630"	2159.781424	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M-H"	-1.007276
"909727"	719.255624	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-H"	-1.007276
"60699"	1456.545071	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M-2H+NH4"	16.019271
"501233"	2176.807971	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M-2H+NH4"	16.019271
"878425"	736.282171	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-2H+NH4"	16.019271
"40854"	1461.500466	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M-2H+Na"	20.974666
"476042"	2181.763366	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M-2H+Na"	20.974666
"859312"	741.237566	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-2H+Na"	20.974666
"1633117"	741.237566	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Na-2H"	20.974666
"109159"	737.243963	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M-H+Cl"	33.962126
"549082"	1097.375413	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M-H+Cl"	33.962126
"942232"	377.112513	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-H+Cl"	33.962126
"280176"	1475.495202	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+Cl"	34.969402
"671628"	2195.758102	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+Cl"	34.969402
"1282937"	755.232302	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Cl"	34.969402
"26586"	1477.474406	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M-2H+K"	36.948606
"466147"	2197.737306	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M-2H+K"	36.948606
"839574"	757.211506	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-2H+K"	36.948606
"1565250"	757.211506	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+K-2H"	36.948606
"948759"	765.261094	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-H+HCOOH"	44.998194
"373535"	1485.524001	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+HCOOH-H"	44.998201
"353044"	1499.539651	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+Hac-H"	59.013851
"1504796"	779.276751	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Hac-H"	59.013851
"969420"	787.243051	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-H+NaCOOH"	66.980151
"120879"	755.232302	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+2Cl"	69.938804
"561167"	1115.363752	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+2Cl"	69.938804
"1034340"	395.100852	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2Cl"	69.938804
"1253557"	799.181785	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Br"	78.918885
"1311994"	801.237772	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Cl+HCOOH"	80.974872
"1330585"	823.219729	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Cl+NaCOOH"	102.956829
"924559"	833.248486	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M-H+CF3COOH"	112.985586
"1297258"	869.225164	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Cl+CF3COOH"	148.962264
"1378703"	685.250224	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H-2H2O"	-35.012676
"1395850"	703.2602	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H-H2O"	-17.0027
"294808"	1441.533076	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+H"	1.007276
"688320"	2161.795976	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+H"	1.007276
"1353006"	721.270176	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H"	1.007276
"132091"	721.270176	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+2H"	2.014552
"569468"	1081.401626	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+2H"	2.014552
"1043734"	361.138726	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2H"	2.014552
"211636"	481.182542666667	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+3H"	3.021828
"647915"	721.270176	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+3H"	3.021828
"1165306"	241.094909333333	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+3H"	3.021828
"429308"	1458.559623	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+NH4"	18.033823
"793587"	2178.822523	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+NH4"	18.033823
"1689917"	738.296723	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+NH4"	18.033823
"344034"	729.7834495	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+H+NH4"	19.041099
"736088"	1089.9148995	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+H+NH4"	19.041099
"1488812"	369.6519995	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H+NH4"	19.041099
"404212"	1463.515018	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+Na"	22.989218
"765206"	2183.777918	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+Na"	22.989218
"1612209"	743.252118	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Na"	22.989218
"322246"	732.261147	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+H+Na"	23.996494
"716857"	1092.392597	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+H+Na"	23.996494
"1468491"	372.129697	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H+Na"	23.996494
"1053273"	248.422223333333	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2H+Na"	25.00377
"1257950"	753.296386	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+CH3OH+H"	33.033486
"380168"	1479.488958	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+K"	38.963158
"746269"	2199.751858	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+K"	38.963158
"1547230"	759.226058	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+K"	38.963158
"310970"	740.248117	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+H+K"	39.970434
"705579"	1100.379567	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+H+K"	39.970434
"1459400"	380.116667	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H+K"	39.970434
"247636"	1482.559626	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+ACN+H"	42.033826
"1224846"	762.296726	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+ACN+H"	42.033826
"1208372"	381.652001	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+ACN+2H"	43.041102
"203542"	1485.49696	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+2Na-H"	44.97116
"642007"	2205.75986	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+2Na-H"	44.97116
"1146129"	765.23406	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2Na-H"	44.97116
"185277"	743.252118	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+2Na"	45.978436
"627027"	1103.383568	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+2Na"	45.978436
"1130176"	383.120668	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2Na"	45.978436
"1413091"	255.749537333333	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H+2Na"	46.985712
"1443502"	767.275646	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H+HCOOH"	47.012746
"234176"	748.28514	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+3H2O+2H"	56.04448
"1523822"	781.32769	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+IsoProp+H"	61.06479
"422905"	751.239088	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+Na+K"	61.952376
"785351"	1111.370538	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+Na+K"	61.952376
"1680716"	391.107638	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Na+K"	61.952376
"266388"	1504.541568	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+ACN+Na"	64.015768
"1239947"	784.278668	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+ACN+Na"	64.015768
"1728390"	784.302193	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+NH4+HCOOH"	64.039293
"1188227"	263.076851333333	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+3Na"	68.967654
"1662126"	789.257588	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Na+HCOOH"	68.994688
"169721"	1517.44484	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+2K-H"	76.91904
"608914"	2237.70774	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+2K-H"	76.91904
"1094888"	797.18194	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2K-H"	76.91904
"152430"	759.226058	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"2M+2K"	77.926316
"591993"	1119.357508	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"3M+2K"	77.926316
"1081609"	399.094608	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2K"	77.926316
"1112631"	799.196492	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2K+H"	78.933592
"1349988"	799.284107	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+DMSO+H"	79.021207
"1019004"	803.323276	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2ACN+H"	83.060376
"1537128"	804.316908	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+IsoProp+Na+H"	84.054008
"1003576"	402.165276	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+2ACN+2H"	84.067652
"1600996"	805.231528	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+K+HCOOH"	84.968628
"1429087"	835.263038	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+H+CF3COOH"	115.000138
"1160588"	422.678551	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+3ACN+2H"	125.094202
"1711596"	852.289585	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+NH4+CF3COOH"	132.026685
"1641780"	857.24498	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+Na+CF3COOH"	136.98208
"1581805"	873.21892	"C11047"	"Azadirachtinin;3-Acetyl-1-tigloylazadirachtinin"	"C35H44O16"	"720.2629"	"M+K+CF3COOH"	152.95602
"802328"	191.0405	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M"	0
"979141"	172.02211	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-H2O-H"	-19.01839
"70666"	126.353057333333	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M-3H"	-3.021828
"509134"	190.033224	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M-3H"	-3.021828
"890214"	62.6728906666667	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-3H"	-3.021828
"14634"	190.033224	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M-2H"	-2.014552
"454557"	285.553474	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M-2H"	-2.014552
"831877"	94.512974	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-2H"	-2.014552
"93570"	381.073724	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M-H"	-1.007276
"533130"	572.114224	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M-H"	-1.007276
"909716"	190.033224	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-H"	-1.007276
"61174"	398.100271	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M-2H+NH4"	16.019271
"502439"	589.140771	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M-2H+NH4"	16.019271
"877808"	207.059771	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-2H+NH4"	16.019271
"39871"	403.055666	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M-2H+Na"	20.974666
"479431"	594.096166	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M-2H+Na"	20.974666
"856141"	212.015166	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-2H+Na"	20.974666
"1629688"	212.015166	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Na-2H"	20.974666
"109674"	208.021563	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M-H+Cl"	33.962126
"549634"	303.541813	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M-H+Cl"	33.962126
"942505"	112.501313	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-H+Cl"	33.962126
"279314"	417.050402	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+Cl"	34.969402
"672589"	608.090902	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+Cl"	34.969402
"1279766"	226.009902	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Cl"	34.969402
"27789"	419.029606	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M-2H+K"	36.948606
"467350"	610.070106	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M-2H+K"	36.948606
"838592"	227.989106	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-2H+K"	36.948606
"1564267"	227.989106	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+K-2H"	36.948606
"951055"	236.038694	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-H+HCOOH"	44.998194
"374738"	427.079201	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+HCOOH-H"	44.998201
"356434"	441.094851	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+Hac-H"	59.013851
"1504904"	250.054351	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Hac-H"	59.013851
"967343"	258.020651	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-H+NaCOOH"	66.980151
"119530"	226.009902	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+2Cl"	69.938804
"557997"	321.530152	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+2Cl"	69.938804
"1033722"	130.489652	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2Cl"	69.938804
"1254031"	269.959385	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Br"	78.918885
"1312103"	272.015372	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Cl+HCOOH"	80.974872
"1328508"	293.997329	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Cl+NaCOOH"	102.956829
"921753"	304.026086	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M-H+CF3COOH"	112.985586
"1297368"	340.002764	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Cl+CF3COOH"	148.962264
"1374439"	156.027824	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H-2H2O"	-35.012676
"1395231"	174.0378	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H-H2O"	-17.0027
"293824"	383.088276	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+H"	1.007276
"685151"	574.128776	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+H"	1.007276
"1358219"	192.047776	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H"	1.007276
"132201"	192.047776	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+2H"	2.014552
"567753"	287.568026	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+2H"	2.014552
"1048216"	96.527526	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2H"	2.014552
"211745"	128.367609333333	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+3H"	3.021828
"646929"	192.047776	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+3H"	3.021828
"1163958"	64.6874426666667	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+3H"	3.021828
"428689"	400.114823	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+NH4"	18.033823
"791512"	591.155323	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+NH4"	18.033823
"1688935"	209.074323	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+NH4"	18.033823
"343777"	200.5610495	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+H+NH4"	19.041099
"736198"	296.0812995	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+H+NH4"	19.041099
"1487829"	105.0407995	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H+NH4"	19.041099
"404322"	405.070218	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+Na"	22.989218
"765316"	596.110718	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+Na"	22.989218
"1611226"	214.029718	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Na"	22.989218
"321263"	203.038747	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+H+Na"	23.996494
"715874"	298.558997	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+H+Na"	23.996494
"1469694"	107.518497	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H+Na"	23.996494
"1053304"	72.0147566666667	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2H+Na"	25.00377
"1258790"	224.073986	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+CH3OH+H"	33.033486
"381371"	421.044158	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+K"	38.963158
"749659"	612.084658	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+K"	38.963158
"1548433"	230.003658	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+K"	38.963158
"312538"	211.025717	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+H+K"	39.970434
"704959"	306.545967	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+H+K"	39.970434
"1459874"	115.505467	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H+K"	39.970434
"245924"	424.114826	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+ACN+H"	42.033826
"1224955"	233.074326	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+ACN+H"	42.033826
"1209208"	117.040801	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+ACN+2H"	43.041102
"202801"	427.05216	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+2Na-H"	44.97116
"642481"	618.09266	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+2Na-H"	44.97116
"1146359"	236.01166	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2Na-H"	44.97116
"187089"	214.029718	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+2Na"	45.978436
"627745"	309.549968	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+2Na"	45.978436
"1130400"	118.509468	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2Na"	45.978436
"1413323"	79.3420706666667	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H+2Na"	46.985712
"1441546"	238.053246	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H+HCOOH"	47.012746
"233189"	219.06274	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+3H2O+2H"	56.04448
"1523328"	252.10529	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+IsoProp+H"	61.06479
"423015"	222.016688	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+Na+K"	61.952376
"785303"	317.536938	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+Na+K"	61.952376
"1680338"	126.496438	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Na+K"	61.952376
"266741"	446.096768	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+ACN+Na"	64.015768
"1240665"	255.056268	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+ACN+Na"	64.015768
"1727849"	255.079793	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+NH4+HCOOH"	64.039293
"1188337"	86.6693846666667	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+3Na"	68.967654
"1662601"	260.035188	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Na+HCOOH"	68.994688
"170561"	459.00004	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+2K-H"	76.91904
"607931"	650.04054	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+2K-H"	76.91904
"1094998"	267.95954	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2K-H"	76.91904
"151811"	230.003658	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"2M+2K"	77.926316
"591009"	325.523908	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"3M+2K"	77.926316
"1081354"	134.483408	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2K"	77.926316
"1112011"	269.974092	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2K+H"	78.933592
"1347668"	270.061707	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+DMSO+H"	79.021207
"1019114"	274.100876	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2ACN+H"	83.060376
"1536874"	275.094508	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+IsoProp+Na+H"	84.054008
"1002593"	137.554076	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+2ACN+2H"	84.067652
"1601105"	276.009128	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+K+HCOOH"	84.968628
"1428953"	306.040638	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+H+CF3COOH"	115.000138
"1159968"	158.067351	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+3ACN+2H"	125.094202
"1709518"	323.067185	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+NH4+CF3COOH"	132.026685
"1641890"	328.02258	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+Na+CF3COOH"	136.98208
"1581915"	343.99652	"C11048"	"Brassicanal A"	"C10H9NOS"	"191.0405"	"M+K+CF3COOH"	152.95602
"803531"	480.3451	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M"	0
"979251"	461.32671	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-H2O-H"	-19.01839
"71869"	319.222790666667	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M-3H"	-3.021828
"511430"	479.337824	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M-3H"	-3.021828
"890324"	159.107757333333	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-3H"	-3.021828
"14378"	479.337824	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H"	-2.014552
"454667"	719.510374	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H"	-2.014552
"831745"	239.165274	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-2H"	-2.014552
"93803"	959.682924	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M-H"	-1.007276
"533444"	1440.028024	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M-H"	-1.007276
"910189"	479.337824	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-H"	-1.007276
"61284"	976.709471	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H+NH4"	16.019271
"502634"	1457.054571	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H+NH4"	16.019271
"877918"	496.364371	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-2H+NH4"	16.019271
"41074"	981.664866	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H+Na"	20.974666
"479541"	1462.009966	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H+Na"	20.974666
"857344"	501.319766	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-2H+Na"	20.974666
"1631620"	501.319766	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Na-2H"	20.974666
"105235"	497.326163	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M-H+Cl"	33.962126
"548929"	737.498713	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M-H+Cl"	33.962126
"936489"	257.153613	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-H+Cl"	33.962126
"282630"	995.659602	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+Cl"	34.969402
"675334"	1476.004702	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+Cl"	34.969402
"1285344"	515.314502	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl"	34.969402
"25713"	997.638806	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M-2H+K"	36.948606
"467458"	1477.983906	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M-2H+K"	36.948606
"841981"	517.293706	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-2H+K"	36.948606
"1565470"	517.293706	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+K-2H"	36.948606
"953351"	525.343294	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-H+HCOOH"	44.998194
"373755"	1005.688401	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+HCOOH-H"	44.998201
"358730"	1019.704051	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+Hac-H"	59.013851
"1505014"	539.358951	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Hac-H"	59.013851
"968546"	547.325251	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-H+NaCOOH"	66.980151
"120733"	515.314502	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+2Cl"	69.938804
"559201"	755.487052	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+2Cl"	69.938804
"1034196"	275.141952	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2Cl"	69.938804
"1252684"	559.263985	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Br"	78.918885
"1311120"	561.319972	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl+HCOOH"	80.974872
"1328618"	583.301929	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl+NaCOOH"	102.956829
"919677"	593.330686	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M-H+CF3COOH"	112.985586
"1295292"	629.307364	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Cl+CF3COOH"	148.962264
"1369080"	445.332424	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H-2H2O"	-35.012676
"1385482"	463.3424	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H-H2O"	-17.0027
"295024"	961.697476	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+H"	1.007276
"684166"	1442.042576	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+H"	1.007276
"1355776"	481.352376	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H"	1.007276
"128665"	481.352376	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+2H"	2.014552
"568226"	721.524926	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+2H"	2.014552
"1040670"	241.179826	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2H"	2.014552
"205654"	321.237342666667	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+3H"	3.021828
"649591"	481.352376	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+3H"	3.021828
"1163218"	161.122309333333	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+3H"	3.021828
"424543"	978.724023	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+NH4"	18.033823
"789795"	1459.069123	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+NH4"	18.033823
"1685033"	498.378923	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+NH4"	18.033823
"338418"	489.8656495	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+H+NH4"	19.041099
"733028"	730.0381995	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+H+NH4"	19.041099
"1483567"	249.6930995	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H+NH4"	19.041099
"398965"	983.679418	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+Na"	22.989218
"759959"	1464.024518	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+Na"	22.989218
"1608057"	503.334318	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Na"	22.989218
"319187"	492.343347	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+H+Na"	23.996494
"717077"	732.515897	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+H+Na"	23.996494
"1471991"	252.170797	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H+Na"	23.996494
"1055033"	168.449623333333	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2H+Na"	25.00377
"1257232"	513.378586	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+CH3OH+H"	33.033486
"378565"	999.653358	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+K"	38.963158
"740291"	1479.998458	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+K"	38.963158
"1541128"	519.308258	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+K"	38.963158
"303897"	500.330317	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+H+K"	39.970434
"699235"	740.502867	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+H+K"	39.970434
"1455243"	260.157767	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H+K"	39.970434
"247127"	1002.724026	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+ACN+H"	42.033826
"1221657"	522.378926	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+ACN+H"	42.033826
"1208093"	261.693101	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+ACN+2H"	43.041102
"202423"	1005.66136	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+2Na-H"	44.97116
"642347"	1486.00646	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+2Na-H"	44.97116
"1146220"	525.31626	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2Na-H"	44.97116
"187564"	503.334318	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+2Na"	45.978436
"628017"	743.506868	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+2Na"	45.978436
"1127836"	263.161768	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2Na"	45.978436
"1413183"	175.776937333333	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H+2Na"	46.985712
"1440563"	527.357846	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H+HCOOH"	47.012746
"232446"	508.36734	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+3H2O+2H"	56.04448
"1521238"	541.40989	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+IsoProp+H"	61.06479
"423608"	511.321288	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+Na+K"	61.952376
"785370"	751.493838	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+Na+K"	61.952376
"1681138"	271.148738	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Na+K"	61.952376
"266971"	1024.705968	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+ACN+Na"	64.015768
"1240286"	544.360868	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+ACN+Na"	64.015768
"1727105"	544.384393	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+NH4+HCOOH"	64.039293
"1187718"	183.104251333333	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+3Na"	68.967654
"1661617"	549.339788	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Na+HCOOH"	68.994688
"168117"	1037.60924	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+2K-H"	76.91904
"606219"	1517.95434	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+2K-H"	76.91904
"1092921"	557.26414	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2K-H"	76.91904
"149735"	519.308258	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"2M+2K"	77.926316
"591483"	759.480808	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"3M+2K"	77.926316
"1079278"	279.135708	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2K"	77.926316
"1111028"	559.278692	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2K+H"	78.933592
"1348142"	559.366307	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+DMSO+H"	79.021207
"1019587"	563.405476	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2ACN+H"	83.060376
"1536984"	564.399108	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+IsoProp+Na+H"	84.054008
"1002703"	282.206376	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+2ACN+2H"	84.067652
"1601581"	565.313728	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+K+HCOOH"	84.968628
"1428335"	595.345238	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+H+CF3COOH"	115.000138
"1157891"	302.719651	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+3ACN+2H"	125.094202
"1709628"	612.371785	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+NH4+CF3COOH"	132.026685
"1640907"	617.32718	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+Na+CF3COOH"	136.98208
"1582025"	633.30112	"C11049"	"24-epi-Brassinolide"	"C28H48O6"	"480.3451"	"M+K+CF3COOH"	152.95602
"802548"	496.34	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M"	0
"979361"	477.32161	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H2O-H"	-19.01839
"71979"	329.886057333333	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-3H"	-3.021828
"512633"	495.332724	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-3H"	-3.021828
"890434"	164.439390666667	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-3H"	-3.021828
"15590"	495.332724	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H"	-2.014552
"455481"	743.502724	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H"	-2.014552
"832697"	247.162724	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H"	-2.014552
"94165"	991.672724	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-H"	-1.007276
"534046"	1488.012724	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-H"	-1.007276
"910665"	495.332724	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H"	-1.007276
"62246"	1008.699271	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H+NH4"	16.019271
"502582"	1505.039271	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H+NH4"	16.019271
"878756"	512.359271	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H+NH4"	16.019271
"42277"	1013.654666	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H+Na"	20.974666
"478558"	1509.994666	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H+Na"	20.974666
"850892"	517.314666	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H+Na"	20.974666
"1631730"	517.314666	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na-2H"	20.974666
"107168"	513.321063	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-H+Cl"	33.962126
"549159"	761.491063	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-H+Cl"	33.962126
"935502"	265.151063	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+Cl"	33.962126
"282799"	1027.649402	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Cl"	34.969402
"675634"	1523.989402	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+Cl"	34.969402
"1288334"	531.309402	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl"	34.969402
"26917"	1029.628606	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H+K"	36.948606
"468664"	1525.968606	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H+K"	36.948606
"842093"	533.288606	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H+K"	36.948606
"1564489"	533.288606	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K-2H"	36.948606
"954559"	541.338194	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+HCOOH"	44.998194
"376709"	1037.678201	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+HCOOH-H"	44.998201
"359935"	1051.693851	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Hac-H"	59.013851
"1505487"	555.353851	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Hac-H"	59.013851
"971938"	563.320151	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+NaCOOH"	66.980151
"120844"	531.309402	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2Cl"	69.938804
"563320"	779.479402	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2Cl"	69.938804
"1034673"	283.139402	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2Cl"	69.938804
"1252794"	575.258885	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Br"	78.918885
"1314513"	577.314872	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl+HCOOH"	80.974872
"1333101"	599.296829	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl+NaCOOH"	102.956829
"923066"	609.325586	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+CF3COOH"	112.985586
"1296495"	645.302264	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl+CF3COOH"	148.962264
"1375752"	461.327324	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H-2H2O"	-35.012676
"1386686"	479.3373	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H-H2O"	-17.0027
"298335"	993.687276	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H"	1.007276
"684277"	1490.027276	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H"	1.007276
"1355523"	497.347276	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H"	1.007276
"136797"	497.347276	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2H"	2.014552
"571985"	745.517276	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2H"	2.014552
"1041878"	249.177276	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2H"	2.014552
"208322"	331.900609333333	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+3H"	3.021828
"647515"	497.347276	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+3H"	3.021828
"1166370"	166.453942666667	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+3H"	3.021828
"429276"	1010.713823	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+NH4"	18.033823
"788813"	1507.053823	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+NH4"	18.033823
"1688061"	514.373823	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+NH4"	18.033823
"331599"	505.8605495	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H+NH4"	19.041099
"730949"	754.0305495	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H+NH4"	19.041099
"1482581"	257.6905495	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+NH4"	19.041099
"396888"	1015.669218	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Na"	22.989218
"758977"	1512.009218	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+Na"	22.989218
"1611446"	519.329218	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na"	22.989218
"322579"	508.338247	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H+Na"	23.996494
"717186"	756.508247	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H+Na"	23.996494
"1471007"	260.168247	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+Na"	23.996494
"1056972"	173.781256666667	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2H+Na"	25.00377
"1262658"	529.373486	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+CH3OH+H"	33.033486
"381234"	1031.643158	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+K"	38.963158
"743323"	1527.983158	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+K"	38.963158
"1545376"	535.303158	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K"	38.963158
"303644"	516.325217	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H+K"	39.970434
"695701"	764.495217	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H+K"	39.970434
"1453167"	268.155217	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+K"	39.970434
"242863"	1034.713826	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+ACN+H"	42.033826
"1221770"	538.373826	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+ACN+H"	42.033826
"1208569"	269.690551	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+ACN+2H"	43.041102
"204265"	1037.65116	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2Na-H"	44.97116
"640999"	1533.99116	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2Na-H"	44.97116
"1146865"	541.31116	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2Na-H"	44.97116
"188343"	519.329218	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2Na"	45.978436
"628167"	767.499218	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2Na"	45.978436
"1131248"	271.159218	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2Na"	45.978436
"1414144"	181.108570666667	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+2Na"	46.985712
"1442859"	543.352746	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+HCOOH"	47.012746
"235109"	524.36224	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+3H2O+2H"	56.04448
"1523658"	557.40479	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+IsoProp+H"	61.06479
"423766"	527.316188	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Na+K"	61.952376
"785566"	775.486188	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+Na+K"	61.952376
"1680559"	279.146188	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na+K"	61.952376
"266713"	1056.695768	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+ACN+Na"	64.015768
"1240759"	560.355768	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+ACN+Na"	64.015768
"1728231"	560.379293	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+NH4+HCOOH"	64.039293
"1188557"	188.435884666667	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+3Na"	68.967654
"1656627"	565.334688	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na+HCOOH"	68.994688
"164582"	1069.59904	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2K-H"	76.91904
"605237"	1565.93904	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2K-H"	76.91904
"1093031"	573.25904	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2K-H"	76.91904
"144380"	535.303158	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2K"	77.926316
"591596"	783.473158	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2K"	77.926316
"1075014"	287.133158	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2K"	77.926316
"1104944"	575.273592	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2K+H"	78.933592
"1343515"	575.361207	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+DMSO+H"	79.021207
"1017147"	579.400376	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2ACN+H"	83.060376
"1537825"	580.394008	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+IsoProp+Na+H"	84.054008
"1004762"	290.203826	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2ACN+2H"	84.067652
"1602421"	581.308628	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K+HCOOH"	84.968628
"1429296"	611.340138	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+CF3COOH"	115.000138
"1162012"	310.717101	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+3ACN+2H"	125.094202
"1710831"	628.366685	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+NH4+CF3COOH"	132.026685
"1641017"	633.32208	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na+CF3COOH"	136.98208
"1582135"	649.29602	"C11050"	"25-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K+CF3COOH"	152.95602
"802658"	496.34	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M"	0
"979471"	477.32161	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H2O-H"	-19.01839
"68808"	329.886057333333	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-3H"	-3.021828
"509459"	495.332724	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-3H"	-3.021828
"889451"	164.439390666667	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-3H"	-3.021828
"15452"	495.332724	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H"	-2.014552
"453794"	743.502724	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H"	-2.014552
"830137"	247.162724	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H"	-2.014552
"90857"	991.672724	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-H"	-1.007276
"531878"	1488.012724	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-H"	-1.007276
"907124"	495.332724	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H"	-1.007276
"58953"	1008.699271	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H+NH4"	16.019271
"501428"	1505.039271	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H+NH4"	16.019271
"877044"	512.359271	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H+NH4"	16.019271
"42756"	1013.654666	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H+Na"	20.974666
"484505"	1509.994666	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H+Na"	20.974666
"856472"	517.314666	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H+Na"	20.974666
"1627101"	517.314666	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na-2H"	20.974666
"106547"	513.321063	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-H+Cl"	33.962126
"544287"	761.491063	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-H+Cl"	33.962126
"930144"	265.151063	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+Cl"	33.962126
"282670"	1027.649402	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Cl"	34.969402
"675394"	1523.989402	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+Cl"	34.969402
"1286293"	531.309402	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl"	34.969402
"28121"	1029.628606	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M-2H+K"	36.948606
"467680"	1525.968606	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M-2H+K"	36.948606
"843297"	533.288606	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-2H+K"	36.948606
"1567878"	533.288606	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K-2H"	36.948606
"957827"	541.338194	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+HCOOH"	44.998194
"376046"	1037.678201	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+HCOOH-H"	44.998201
"359320"	1051.693851	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Hac-H"	59.013851
"1505963"	555.353851	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Hac-H"	59.013851
"968766"	563.320151	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+NaCOOH"	66.980151
"118767"	531.309402	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2Cl"	69.938804
"562337"	779.479402	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2Cl"	69.938804
"1033325"	283.139402	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2Cl"	69.938804
"1248892"	575.258885	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Br"	78.918885
"1314622"	577.314872	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl+HCOOH"	80.974872
"1329932"	599.296829	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl+NaCOOH"	102.956829
"922084"	609.325586	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M-H+CF3COOH"	112.985586
"1298792"	645.302264	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Cl+CF3COOH"	148.962264
"1368932"	461.327324	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H-2H2O"	-35.012676
"1387891"	479.3373	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H-H2O"	-17.0027
"297792"	993.687276	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H"	1.007276
"687668"	1490.027276	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H"	1.007276
"1365840"	497.347276	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H"	1.007276
"137998"	497.347276	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2H"	2.014552
"571001"	745.517276	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2H"	2.014552
"1041988"	249.177276	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2H"	2.014552
"208794"	331.900609333333	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+3H"	3.021828
"648719"	497.347276	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+3H"	3.021828
"1164656"	166.453942666667	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+3H"	3.021828
"426105"	1010.713823	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+NH4"	18.033823
"787101"	1507.053823	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+NH4"	18.033823
"1687078"	514.373823	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+NH4"	18.033823
"333530"	505.8605495	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H+NH4"	19.041099
"732152"	754.0305495	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H+NH4"	19.041099
"1489254"	257.6905495	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+NH4"	19.041099
"401372"	1015.669218	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Na"	22.989218
"760180"	1512.009218	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+Na"	22.989218
"1608278"	519.329218	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na"	22.989218
"322689"	508.338247	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H+Na"	23.996494
"717296"	756.508247	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H+Na"	23.996494
"1471117"	260.168247	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+Na"	23.996494
"1058906"	173.781256666667	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2H+Na"	25.00377
"1258760"	529.373486	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+CH3OH+H"	33.033486
"378064"	1031.643158	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+K"	38.963158
"739016"	1527.983158	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+K"	38.963158
"1542209"	535.303158	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K"	38.963158
"303758"	516.325217	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+H+K"	39.970434
"697274"	764.495217	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+H+K"	39.970434
"1449269"	268.155217	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+K"	39.970434
"241881"	1034.713826	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+ACN+H"	42.033826
"1223338"	538.373826	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+ACN+H"	42.033826
"1207221"	269.690551	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+ACN+2H"	43.041102
"202280"	1037.65116	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2Na-H"	44.97116
"641109"	1533.99116	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2Na-H"	44.97116
"1142059"	541.31116	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2Na-H"	44.97116
"188303"	519.329218	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2Na"	45.978436
"623817"	767.499218	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2Na"	45.978436
"1127326"	271.159218	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2Na"	45.978436
"1413402"	181.108570666667	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+2Na"	46.985712
"1445580"	543.352746	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+HCOOH"	47.012746
"235667"	524.36224	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+3H2O+2H"	56.04448
"1524030"	557.40479	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+IsoProp+H"	61.06479
"424224"	527.316188	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+Na+K"	61.952376
"784946"	775.486188	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+Na+K"	61.952376
"1679939"	279.146188	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na+K"	61.952376
"266458"	1056.695768	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+ACN+Na"	64.015768
"1240951"	560.355768	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+ACN+Na"	64.015768
"1728371"	560.379293	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+NH4+HCOOH"	64.039293
"1191586"	188.435884666667	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+3Na"	68.967654
"1655646"	565.334688	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na+HCOOH"	68.994688
"163602"	1069.59904	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2K-H"	76.91904
"600974"	1565.93904	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2K-H"	76.91904
"1093143"	573.25904	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2K-H"	76.91904
"143398"	535.303158	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"2M+2K"	77.926316
"582953"	783.473158	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"3M+2K"	77.926316
"1070139"	287.133158	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2K"	77.926316
"1103957"	575.273592	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2K+H"	78.933592
"1344719"	575.361207	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+DMSO+H"	79.021207
"1019083"	579.400376	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2ACN+H"	83.060376
"1536841"	580.394008	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+IsoProp+Na+H"	84.054008
"1005566"	290.203826	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+2ACN+2H"	84.067652
"1601800"	581.308628	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K+HCOOH"	84.968628
"1428190"	611.340138	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+H+CF3COOH"	115.000138
"1162678"	310.717101	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+3ACN+2H"	125.094202
"1711913"	628.366685	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+NH4+CF3COOH"	132.026685
"1641127"	633.32208	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+Na+CF3COOH"	136.98208
"1582245"	649.29602	"C11051"	"26-Hydroxy-24-epi-brassinolide"	"C28H48O7"	"496.34"	"M+K+CF3COOH"	152.95602
"803861"	190.063	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M"	0
"979578"	171.04461	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-H2O-H"	-19.01839
"66729"	125.701390666667	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M-3H"	-3.021828
"507381"	189.055724	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M-3H"	-3.021828
"889558"	62.3470573333333	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-3H"	-3.021828
"14960"	189.055724	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M-2H"	-2.014552
"453174"	284.087224	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M-2H"	-2.014552
"828423"	94.024224	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-2H"	-2.014552
"90967"	379.118724	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M-H"	-1.007276
"532719"	569.181724	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M-H"	-1.007276
"906870"	189.055724	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-H"	-1.007276
"61251"	396.145271	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M-2H+NH4"	16.019271
"500810"	586.208271	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M-2H+NH4"	16.019271
"877642"	206.082271	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-2H+NH4"	16.019271
"43959"	401.100666	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M-2H+Na"	20.974666
"485223"	591.163666	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M-2H+Na"	20.974666
"859498"	211.037666	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-2H+Na"	20.974666
"1623930"	211.037666	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Na-2H"	20.974666
"98635"	207.044063	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M-H+Cl"	33.962126
"544397"	302.075563	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M-H+Cl"	33.962126
"931347"	112.012563	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-H+Cl"	33.962126
"281708"	415.095402	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+Cl"	34.969402
"673270"	605.158402	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+Cl"	34.969402
"1286524"	225.032402	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Cl"	34.969402
"26043"	417.074606	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M-2H+K"	36.948606
"463417"	607.137606	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M-2H+K"	36.948606
"840125"	227.011606	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-2H+K"	36.948606
"1569081"	227.011606	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+K-2H"	36.948606
"956842"	235.061194	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-H+HCOOH"	44.998194
"370805"	425.124201	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+HCOOH-H"	44.998201
"360892"	439.139851	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+Hac-H"	59.013851
"1502425"	249.076851	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Hac-H"	59.013851
"971795"	257.043151	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-H+NaCOOH"	66.980151
"119971"	225.032402	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+2Cl"	69.938804
"560624"	320.063902	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+2Cl"	69.938804
"1034527"	130.000902	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2Cl"	69.938804
"1250825"	268.981885	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Br"	78.918885
"1315824"	271.037872	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Cl+HCOOH"	80.974872
"1331133"	293.019829	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Cl+NaCOOH"	102.956829
"925353"	303.048586	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M-H+CF3COOH"	112.985586
"1299995"	339.025264	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Cl+CF3COOH"	148.962264
"1370499"	155.050324	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H-2H2O"	-35.012676
"1391281"	173.0603	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H-H2O"	-17.0027
"295349"	381.133276	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+H"	1.007276
"688506"	571.196276	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+H"	1.007276
"1363033"	191.070276	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H"	1.007276
"138839"	191.070276	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+2H"	2.014552
"568925"	286.101776	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+2H"	2.014552
"1041004"	96.038776	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2H"	2.014552
"212185"	127.715942666667	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+3H"	3.021828
"649557"	191.070276	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+3H"	3.021828
"1164400"	64.3616093333333	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+3H"	3.021828
"425851"	398.159823	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+NH4"	18.033823
"786360"	588.222823	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+NH4"	18.033823
"1686095"	208.096823	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+NH4"	18.033823
"334373"	199.5835495	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+H+NH4"	19.041099
"731168"	294.6150495	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+H+NH4"	19.041099
"1487176"	104.5520495	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H+NH4"	19.041099
"399294"	403.115218	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+Na"	22.989218
"760289"	593.178218	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+Na"	22.989218
"1611667"	213.052218	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Na"	22.989218
"322798"	202.061247	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+H+Na"	23.996494
"716313"	297.092747	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+H+Na"	23.996494
"1464666"	107.029747	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H+Na"	23.996494
"1059017"	71.6889233333333	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2H+Na"	25.00377
"1258870"	223.096486	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+CH3OH+H"	33.033486
"380361"	419.089158	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+K"	38.963158
"744639"	609.152158	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+K"	38.963158
"1542683"	229.026158	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+K"	38.963158
"304961"	210.048217	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+H+K"	39.970434
"697384"	305.079717	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+H+K"	39.970434
"1453391"	115.016717	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H+K"	39.970434
"247458"	422.159826	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+ACN+H"	42.033826
"1224911"	232.096826	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+ACN+H"	42.033826
"1208303"	116.552051	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+ACN+2H"	43.041102
"203810"	425.09716	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+2Na-H"	44.97116
"642312"	615.16016	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+2Na-H"	44.97116
"1141076"	235.03416	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2Na-H"	44.97116
"188018"	213.052218	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+2Na"	45.978436
"623927"	308.083718	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+2Na"	45.978436
"1130352"	118.020718	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2Na"	45.978436
"1413394"	79.0162373333333	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H+2Na"	46.985712
"1444544"	237.075746	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H+HCOOH"	47.012746
"234970"	218.08524	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+3H2O+2H"	56.04448
"1524048"	251.12779	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+IsoProp+H"	61.06479
"424060"	221.039188	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+Na+K"	61.952376
"785054"	316.070688	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+Na+K"	61.952376
"1678956"	126.007688	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Na+K"	61.952376
"266449"	444.141768	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+ACN+Na"	64.015768
"1240861"	254.078768	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+ACN+Na"	64.015768
"1728044"	254.102293	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+NH4+HCOOH"	64.039293
"1191696"	86.3435513333333	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+3Na"	68.967654
"1653569"	259.057688	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Na+HCOOH"	68.994688
"163712"	457.04504	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+2K-H"	76.91904
"599992"	647.10804	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+2K-H"	76.91904
"1095441"	266.98204	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2K-H"	76.91904
"143020"	229.026158	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"2M+2K"	77.926316
"588169"	324.057658	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"3M+2K"	77.926316
"1074141"	133.994658	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2K"	77.926316
"1107351"	268.996592	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2K+H"	78.933592
"1348109"	269.084207	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+DMSO+H"	79.021207
"1019072"	273.123376	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2ACN+H"	83.060376
"1538291"	274.117008	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+IsoProp+Na+H"	84.054008
"1005227"	137.065326	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+2ACN+2H"	84.067652
"1601912"	275.031628	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+K+HCOOH"	84.968628
"1427208"	305.063138	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+H+CF3COOH"	115.000138
"1160410"	157.578601	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+3ACN+2H"	125.094202
"1709958"	322.089685	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+NH4+CF3COOH"	132.026685
"1641237"	327.04508	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+Na+CF3COOH"	136.98208
"1582355"	343.01902	"C11052"	"7-Ethoxycoumarin"	"C11H10O3"	"190.063"	"M+K+CF3COOH"	152.95602
"809439"	358.178	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M"	0
"982971"	339.15961	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-H2O-H"	-19.01839
"65017"	237.778057333333	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M-3H"	-3.021828
"508586"	357.170724	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M-3H"	-3.021828
"886389"	118.385390666667	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-3H"	-3.021828
"15311"	357.170724	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M-2H"	-2.014552
"455514"	536.259724	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M-2H"	-2.014552
"832594"	178.081724	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-2H"	-2.014552
"92169"	715.348724	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M-H"	-1.007276
"533515"	1073.526724	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M-H"	-1.007276
"907344"	357.170724	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-H"	-1.007276
"61482"	732.375271	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M-2H+NH4"	16.019271
"501408"	1090.553271	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M-2H+NH4"	16.019271
"878603"	374.197271	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-2H+NH4"	16.019271
"41515"	737.330666	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M-2H+Na"	20.974666
"478889"	1095.508666	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M-2H+Na"	20.974666
"859972"	379.152666	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-2H+Na"	20.974666
"1625133"	379.152666	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Na-2H"	20.974666
"98381"	375.159063	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M-H+Cl"	33.962126
"545600"	554.248063	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M-H+Cl"	33.962126
"935833"	196.070063	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-H+Cl"	33.962126
"280840"	751.325402	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+Cl"	34.969402
"672289"	1109.503402	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+Cl"	34.969402
"1281410"	393.147402	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Cl"	34.969402
"29070"	753.304606	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M-2H+K"	36.948606
"464619"	1111.482606	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M-2H+K"	36.948606
"842421"	395.126606	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-2H+K"	36.948606
"1567004"	395.126606	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+K-2H"	36.948606
"950511"	403.176194	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-H+HCOOH"	44.998194
"369819"	761.354201	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+HCOOH-H"	44.998201
"356618"	775.369851	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+Hac-H"	59.013851
"1506547"	417.191851	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Hac-H"	59.013851
"970812"	425.158151	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-H+NaCOOH"	66.980151
"117894"	393.147402	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+2Cl"	69.938804
"562923"	572.236402	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+2Cl"	69.938804
"1035981"	214.058402	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2Cl"	69.938804
"1255309"	437.096885	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Br"	78.918885
"1313748"	439.152872	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Cl+HCOOH"	80.974872
"1329056"	461.134829	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Cl+NaCOOH"	102.956829
"924490"	471.163586	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M-H+CF3COOH"	112.985586
"1303264"	507.140264	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Cl+CF3COOH"	148.962264
"1372069"	323.165324	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H-2H2O"	-35.012676
"1387380"	341.1753	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H-H2O"	-17.0027
"286701"	717.363276	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+H"	1.007276
"687157"	1075.541276	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+H"	1.007276
"1360951"	359.185276	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H"	1.007276
"133483"	359.185276	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+2H"	2.014552
"572315"	538.274276	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+2H"	2.014552
"1039289"	180.096276	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2H"	2.014552
"207192"	239.792609333333	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+3H"	3.021828
"646023"	359.185276	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+3H"	3.021828
"1163900"	120.399942666667	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+3H"	3.021828
"425472"	734.389823	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+NH4"	18.033823
"787075"	1092.567823	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+NH4"	18.033823
"1688390"	376.211823	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+NH4"	18.033823
"336667"	367.6985495	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+H+NH4"	19.041099
"734555"	546.7875495	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+H+NH4"	19.041099
"1485094"	188.6095495	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H+NH4"	19.041099
"401588"	739.345218	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+Na"	22.989218
"758210"	1097.523218	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+Na"	22.989218
"1609588"	381.167218	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Na"	22.989218
"319628"	370.176247	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+H+Na"	23.996494
"716423"	549.265247	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+H+Na"	23.996494
"1463802"	191.087247	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H+Na"	23.996494
"1058032"	127.727256666667	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2H+Na"	25.00377
"1257521"	391.211486	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+CH3OH+H"	33.033486
"382657"	755.319158	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+K"	38.963158
"742563"	1113.497158	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+K"	38.963158
"1543521"	397.141158	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+K"	38.963158
"305436"	378.163217	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+H+K"	39.970434
"695671"	557.252217	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+H+K"	39.970434
"1451312"	199.074217	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H+K"	39.970434
"245018"	758.389826	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+ACN+H"	42.033826
"1221372"	400.211826	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+ACN+H"	42.033826
"1208657"	200.609551	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+ACN+2H"	43.041102
"201402"	761.32716	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+2Na-H"	44.97116
"642055"	1119.50516	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+2Na-H"	44.97116
"1137906"	403.14916	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2Na-H"	44.97116
"187152"	381.167218	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+2Na"	45.978436
"622943"	560.256218	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+2Na"	45.978436
"1130956"	202.078218	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2Na"	45.978436
"1412897"	135.054570666667	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H+2Na"	46.985712
"1444653"	405.190746	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H+HCOOH"	47.012746
"232161"	386.20024	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+3H2O+2H"	56.04448
"1523510"	419.24279	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+IsoProp+H"	61.06479
"423726"	389.154188	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+Na+K"	61.952376
"785485"	568.243188	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+Na+K"	61.952376
"1680162"	210.065188	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Na+K"	61.952376
"266562"	780.371768	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+ACN+Na"	64.015768
"1240485"	422.193768	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+ACN+Na"	64.015768
"1727955"	422.217293	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+NH4+HCOOH"	64.039293
"1192660"	142.381884666667	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+3Na"	68.967654
"1654773"	427.172688	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Na+HCOOH"	68.994688
"160541"	793.27504	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+2K-H"	76.91904
"604475"	1151.45304	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+2K-H"	76.91904
"1095551"	435.09704	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2K-H"	76.91904
"143252"	397.141158	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"2M+2K"	77.926316
"585364"	576.230158	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"3M+2K"	77.926316
"1073158"	218.052158	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2K"	77.926316
"1107462"	437.111592	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2K+H"	78.933592
"1346035"	437.199207	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+DMSO+H"	79.021207
"1019425"	441.238376	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2ACN+H"	83.060376
"1539133"	442.232008	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+IsoProp+Na+H"	84.054008
"1004484"	221.122826	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+2ACN+2H"	84.067652
"1602269"	443.146628	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+K+HCOOH"	84.968628
"1426589"	473.178138	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+H+CF3COOH"	115.000138
"1160521"	241.636101	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+3ACN+2H"	125.094202
"1711161"	490.204685	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+NH4+CF3COOH"	132.026685
"1639158"	495.16008	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+Na+CF3COOH"	136.98208
"1582465"	511.13402	"C11053"	"910-Dihydrokadsurenone"	"C21H26O5"	"358.178"	"M+K+CF3COOH"	152.95602
"809549"	731.4608	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M"	0
"984174"	712.44241	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-H2O-H"	-19.01839
"69136"	486.633257333333	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M-3H"	-3.021828
"509791"	730.453524	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M-3H"	-3.021828
"885405"	242.812990666667	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-3H"	-3.021828
"15591"	730.453524	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M-2H"	-2.014552
"454486"	1096.183924	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M-2H"	-2.014552
"832372"	364.723124	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-2H"	-2.014552
"93780"	1461.914324	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M-H"	-1.007276
"530379"	2193.375124	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M-H"	-1.007276
"910734"	730.453524	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-H"	-1.007276
"58547"	1478.940871	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M-2H+NH4"	16.019271
"501028"	2210.401671	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M-2H+NH4"	16.019271
"879074"	747.480071	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-2H+NH4"	16.019271
"36158"	1483.896266	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M-2H+Na"	20.974666
"476812"	2215.357066	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M-2H+Na"	20.974666
"857894"	752.435466	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-2H+Na"	20.974666
"1625243"	752.435466	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Na-2H"	20.974666
"102864"	748.441863	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M-H+Cl"	33.962126
"545710"	1114.172263	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M-H+Cl"	33.962126
"935943"	382.711463	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-H+Cl"	33.962126
"282045"	1497.891002	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+Cl"	34.969402
"674585"	2229.351802	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+Cl"	34.969402
"1285893"	766.430202	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Cl"	34.969402
"30273"	1499.870206	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M-2H+K"	36.948606
"464730"	2231.331006	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M-2H+K"	36.948606
"845812"	768.409406	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-2H+K"	36.948606
"1569301"	768.409406	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+K-2H"	36.948606
"950621"	776.458994	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-H+HCOOH"	44.998194
"372845"	1507.919801	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+HCOOH-H"	44.998201
"357457"	1521.935451	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+Hac-H"	59.013851
"1507510"	790.474651	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Hac-H"	59.013851
"972015"	798.440951	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-H+NaCOOH"	66.980151
"122377"	766.430202	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+2Cl"	69.938804
"564490"	1132.160602	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+2Cl"	69.938804
"1036332"	400.699802	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2Cl"	69.938804
"1252503"	810.379685	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Br"	78.918885
"1313858"	812.435672	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Cl+HCOOH"	80.974872
"1328073"	834.417629	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Cl+NaCOOH"	102.956829
"924600"	844.446386	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M-H+CF3COOH"	112.985586
"1302282"	880.423064	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Cl+CF3COOH"	148.962264
"1372909"	696.448124	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H-2H2O"	-35.012676
"1390407"	714.4581	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H-H2O"	-17.0027
"286813"	1463.928876	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+H"	1.007276
"686890"	2195.389676	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+H"	1.007276
"1362154"	732.468076	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H"	1.007276
"137965"	732.468076	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+2H"	2.014552
"569144"	1098.198476	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+2H"	2.014552
"1044504"	366.737676	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2H"	2.014552
"209125"	488.647809333333	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+3H"	3.021828
"646495"	732.468076	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+3H"	3.021828
"1165715"	244.827542666667	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+3H"	3.021828
"426434"	1480.955423	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+NH4"	18.033823
"787795"	2212.416223	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+NH4"	18.033823
"1683759"	749.494623	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+NH4"	18.033823
"334591"	740.9813495	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+H+NH4"	19.041099
"730292"	1106.7117495	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+H+NH4"	19.041099
"1484110"	375.2509495	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H+NH4"	19.041099
"401696"	1485.910818	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+Na"	22.989218
"757226"	2217.371618	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+Na"	22.989218
"1607511"	754.450018	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Na"	22.989218
"317551"	743.459047	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+H+Na"	23.996494
"713253"	1109.189447	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+H+Na"	23.996494
"1463791"	377.728647	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H+Na"	23.996494
"1058144"	252.154856666667	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2H+Na"	25.00377
"1262008"	764.494286	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+CH3OH+H"	33.033486
"379854"	1501.884758	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+K"	38.963158
"742673"	2233.345558	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+K"	38.963158
"1545817"	770.423958	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+K"	38.963158
"306275"	751.446017	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+H+K"	39.970434
"699790"	1117.176417	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+H+K"	39.970434
"1452514"	385.715617	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H+K"	39.970434
"250232"	1504.955426	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+ACN+H"	42.033826
"1223668"	773.494626	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+ACN+H"	42.033826
"1208281"	387.250951	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+ACN+2H"	43.041102
"203095"	1507.89276	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+2Na-H"	44.97116
"642165"	2239.35356	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+2Na-H"	44.97116
"1140203"	776.43196	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2Na-H"	44.97116
"180210"	754.450018	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+2Na"	45.978436
"623053"	1120.180418	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+2Na"	45.978436
"1131112"	388.719618	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2Na"	45.978436
"1411179"	259.482170666667	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H+2Na"	46.985712
"1444768"	778.473546	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H+HCOOH"	47.012746
"235313"	759.48304	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+3H2O+2H"	56.04448
"1521431"	792.52559	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+IsoProp+H"	61.06479
"421483"	762.436988	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+Na+K"	61.952376
"784302"	1128.167388	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+Na+K"	61.952376
"1680264"	396.706588	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Na+K"	61.952376
"265933"	1526.937368	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+ACN+Na"	64.015768
"1239490"	795.476568	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+ACN+Na"	64.015768
"1726920"	795.500093	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+NH4+HCOOH"	64.039293
"1192283"	266.809484666667	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+3Na"	68.967654
"1653789"	800.455488	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Na+HCOOH"	68.994688
"161745"	1539.84064	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+2K-H"	76.91904
"604222"	2271.30144	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+2K-H"	76.91904
"1094567"	808.37984	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2K-H"	76.91904
"143728"	770.423958	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"2M+2K"	77.926316
"585474"	1136.154358	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"3M+2K"	77.926316
"1074363"	404.693558	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2K"	77.926316
"1105385"	810.394392	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2K+H"	78.933592
"1348695"	810.482007	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+DMSO+H"	79.021207
"1020510"	814.521176	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2ACN+H"	83.060376
"1539000"	815.514808	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+IsoProp+Na+H"	84.054008
"1003622"	407.764226	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+2ACN+2H"	84.067652
"1601041"	816.429428	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+K+HCOOH"	84.968628
"1426699"	846.460938	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+H+CF3COOH"	115.000138
"1160995"	428.277501	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+3ACN+2H"	125.094202
"1710908"	863.487485	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+NH4+CF3COOH"	132.026685
"1639269"	868.44288	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+Na+CF3COOH"	136.98208
"1582575"	884.41682	"C11054"	"Spinosyn A;Spinosad factor A"	"C41H65NO10"	"731.4608"	"M+K+CF3COOH"	152.95602
"809659"	717.4452	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M"	0
"979911"	698.42681	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-H2O-H"	-19.01839
"65967"	477.289524	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M-3H"	-3.021828
"509901"	716.437924	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M-3H"	-3.021828
"883329"	238.141124	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-3H"	-3.021828
"14998"	716.437924	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M-2H"	-2.014552
"454839"	1075.160524	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M-2H"	-2.014552
"832715"	357.715324	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-2H"	-2.014552
"93606"	1433.883124	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M-H"	-1.007276
"529760"	2151.328324	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M-H"	-1.007276
"910603"	716.437924	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-H"	-1.007276
"59750"	1450.909671	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M-2H+NH4"	16.019271
"502112"	2168.354871	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M-2H+NH4"	16.019271
"879848"	733.464471	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-2H+NH4"	16.019271
"45018"	1455.865066	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M-2H+Na"	20.974666
"485551"	2173.310266	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M-2H+Na"	20.974666
"861285"	738.419866	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-2H+Na"	20.974666
"1631550"	738.419866	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Na-2H"	20.974666
"106985"	734.426263	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M-H+Cl"	33.962126
"549551"	1093.148863	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M-H+Cl"	33.962126
"940793"	375.703663	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-H+Cl"	33.962126
"281301"	1469.859802	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+Cl"	34.969402
"675183"	2187.305002	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+Cl"	34.969402
"1284911"	752.414602	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Cl"	34.969402
"30747"	1471.839006	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M-2H+K"	36.948606
"469215"	2189.284206	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M-2H+K"	36.948606
"847384"	754.393806	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-2H+K"	36.948606
"1569411"	754.393806	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+K-2H"	36.948606
"954012"	762.443394	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-H+HCOOH"	44.998194
"376926"	1479.888601	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+HCOOH-H"	44.998201
"358660"	1493.904251	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+Hac-H"	59.013851
"1507378"	776.459051	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Hac-H"	59.013851
"973546"	784.425351	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-H+NaCOOH"	66.980151
"125043"	752.414602	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+2Cl"	69.938804
"564606"	1111.137202	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+2Cl"	69.938804
"1036321"	393.692002	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2Cl"	69.938804
"1256503"	796.364085	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Br"	78.918885
"1317978"	798.420072	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Cl+HCOOH"	80.974872
"1329276"	820.402029	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Cl+NaCOOH"	102.956829
"926776"	830.430786	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M-H+CF3COOH"	112.985586
"1303974"	866.407464	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Cl+CF3COOH"	148.962264
"1381404"	682.432524	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H-2H2O"	-35.012676
"1393799"	700.4425	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H-H2O"	-17.0027
"296765"	1435.897676	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+H"	1.007276
"687000"	2153.342876	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+H"	1.007276
"1360077"	718.452476	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H"	1.007276
"135888"	718.452476	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+2H"	2.014552
"567794"	1077.175076	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+2H"	2.014552
"1044614"	359.729876	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2H"	2.014552
"206683"	479.304076	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+3H"	3.021828
"646603"	718.452476	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+3H"	3.021828
"1164731"	240.155676	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+3H"	3.021828
"425085"	1452.924223	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+NH4"	18.033823
"787176"	2170.369423	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+NH4"	18.033823
"1681435"	735.479023	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+NH4"	18.033823
"333969"	726.9657495	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+H+NH4"	19.041099
"728215"	1085.6883495	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+H+NH4"	19.041099
"1480942"	368.2431495	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H+NH4"	19.041099
"397434"	1457.879618	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+Na"	22.989218
"755149"	2175.324818	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+Na"	22.989218
"1605435"	740.434418	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Na"	22.989218
"319848"	729.443447	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+H+Na"	23.996494
"708017"	1088.166047	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+H+Na"	23.996494
"1463901"	370.720847	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H+Na"	23.996494
"1057158"	247.48299	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2H+Na"	25.00377
"1260657"	750.478686	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+CH3OH+H"	33.033486
"381055"	1473.853558	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+K"	38.963158
"741687"	2191.298758	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+K"	38.963158
"1544834"	756.408358	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+K"	38.963158
"304925"	737.430417	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+H+K"	39.970434
"703179"	1096.153017	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+H+K"	39.970434
"1458093"	378.707817	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H+K"	39.970434
"248880"	1476.924226	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+ACN+H"	42.033826
"1224141"	759.479026	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+ACN+H"	42.033826
"1209240"	380.243151	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+ACN+2H"	43.041102
"203082"	1479.86156	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+2Na-H"	44.97116
"635713"	2197.30676	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+2Na-H"	44.97116
"1140312"	762.41636	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2Na-H"	44.97116
"180320"	740.434418	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+2Na"	45.978436
"623163"	1099.157018	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+2Na"	45.978436
"1131101"	381.711818	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2Na"	45.978436
"1411289"	254.810304	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H+2Na"	46.985712
"1444148"	764.457946	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H+HCOOH"	47.012746
"234571"	745.46744	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+3H2O+2H"	56.04448
"1520812"	778.50999	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+IsoProp+H"	61.06479
"421229"	748.421388	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+Na+K"	61.952376
"784533"	1107.143988	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+Na+K"	61.952376
"1680860"	389.698788	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Na+K"	61.952376
"266041"	1498.906168	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+ACN+Na"	64.015768
"1240572"	781.460968	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+ACN+Na"	64.015768
"1728365"	781.484493	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+NH4+HCOOH"	64.039293
"1192757"	262.137618	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+3Na"	68.967654
"1656088"	786.439888	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Na+HCOOH"	68.994688
"162949"	1511.80944	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+2K-H"	76.91904
"603603"	2229.25464	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+2K-H"	76.91904
"1094678"	794.36424	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2K-H"	76.91904
"143472"	756.408358	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"2M+2K"	77.926316
"583397"	1115.130958	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"3M+2K"	77.926316
"1075565"	397.685758	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2K"	77.926316
"1109505"	796.378792	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2K+H"	78.933592
"1349535"	796.466407	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+DMSO+H"	79.021207
"1017702"	800.505576	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2ACN+H"	83.060376
"1538743"	801.499208	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+IsoProp+Na+H"	84.054008
"1004462"	400.756426	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+2ACN+2H"	84.067652
"1600665"	802.413828	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+K+HCOOH"	84.968628
"1427902"	832.445338	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+H+CF3COOH"	115.000138
"1161470"	421.269701	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+3ACN+2H"	125.094202
"1711018"	849.471885	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+NH4+CF3COOH"	132.026685
"1642659"	854.42728	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+Na+CF3COOH"	136.98208
"1582685"	870.40122	"C11055"	"Spinosyn B"	"C40H63NO10"	"717.4452"	"M+K+CF3COOH"	152.95602
"809769"	745.4765	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M"	0
"980021"	726.45811	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-H2O-H"	-19.01839
"63359"	495.977057333333	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M-3H"	-3.021828
"503199"	744.469224	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M-3H"	-3.021828
"883439"	247.484890666667	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-3H"	-3.021828
"15109"	744.469224	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M-2H"	-2.014552
"454708"	1117.207474	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M-2H"	-2.014552
"832704"	371.730974	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-2H"	-2.014552
"93923"	1489.945724	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M-H"	-1.007276
"530599"	2235.422224	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M-H"	-1.007276
"909621"	744.469224	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-H"	-1.007276
"59861"	1506.972271	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M-2H+NH4"	16.019271
"500276"	2252.448771	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M-2H+NH4"	16.019271
"877957"	761.495771	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-2H+NH4"	16.019271
"39660"	1511.927666	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M-2H+Na"	20.974666
"480313"	2257.404166	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M-2H+Na"	20.974666
"854835"	766.451166	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-2H+Na"	20.974666
"1631539"	766.451166	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Na-2H"	20.974666
"107704"	762.457563	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M-H+Cl"	33.962126
"548727"	1135.195813	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M-H+Cl"	33.962126
"939810"	389.719313	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-H+Cl"	33.962126
"282141"	1525.922402	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+Cl"	34.969402
"675413"	2271.398902	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+Cl"	34.969402
"1286480"	780.445902	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Cl"	34.969402
"30493"	1527.901606	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M-2H+K"	36.948606
"467137"	2273.378106	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M-2H+K"	36.948606
"847862"	782.425106	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-2H+K"	36.948606
"1569522"	782.425106	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+K-2H"	36.948606
"956310"	790.474694	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-H+HCOOH"	44.998194
"376268"	1535.951201	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+HCOOH-H"	44.998201
"357677"	1549.966851	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+Hac-H"	59.013851
"1507490"	804.490351	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Hac-H"	59.013851
"972602"	812.456651	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-H+NaCOOH"	66.980151
"125155"	780.445902	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+2Cl"	69.938804
"565320"	1153.184152	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+2Cl"	69.938804
"1036431"	407.707652	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2Cl"	69.938804
"1253820"	824.395385	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Br"	78.918885
"1318088"	826.451372	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Cl+HCOOH"	80.974872
"1327200"	848.433329	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Cl+NaCOOH"	102.956829
"925914"	858.462086	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M-H+CF3COOH"	112.985586
"1302990"	894.438764	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Cl+CF3COOH"	148.962264
"1378597"	710.463824	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H-2H2O"	-35.012676
"1390626"	728.4738	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H-H2O"	-17.0027
"295780"	1491.960276	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+H"	1.007276
"688204"	2237.436776	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+H"	1.007276
"1361280"	746.483776	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H"	1.007276
"136356"	746.483776	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+2H"	2.014552
"573737"	1119.222026	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+2H"	2.014552
"1043630"	373.745526	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2H"	2.014552
"207522"	497.991609333333	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+3H"	3.021828
"645622"	746.483776	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+3H"	3.021828
"1164844"	249.499442666667	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+3H"	3.021828
"425441"	1508.986823	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+NH4"	18.033823
"786922"	2254.463323	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+NH4"	18.033823
"1681914"	763.510323	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+NH4"	18.033823
"334808"	754.9970495	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+H+NH4"	19.041099
"727231"	1127.7352995	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+H+NH4"	19.041099
"1482145"	382.2587995	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H+NH4"	19.041099
"397544"	1513.942218	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+Na"	22.989218
"757446"	2259.418718	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+Na"	22.989218
"1606639"	768.465718	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Na"	22.989218
"319958"	757.474747	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+H+Na"	23.996494
"709099"	1130.212997	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+H+Na"	23.996494
"1464011"	384.736497	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H+Na"	23.996494
"1057268"	256.826756666667	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2H+Na"	25.00377
"1259673"	778.509986	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+CH3OH+H"	33.033486
"380071"	1529.916158	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+K"	38.963158
"741798"	2275.392658	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+K"	38.963158
"1544216"	784.439658	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+K"	38.963158
"305399"	765.461717	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+H+K"	39.970434
"700007"	1138.199967	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+H+K"	39.970434
"1457838"	392.723467	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H+K"	39.970434
"246803"	1532.986826	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+ACN+H"	42.033826
"1224495"	787.510326	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+ACN+H"	42.033826
"1208377"	394.258801	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+ACN+2H"	43.041102
"201611"	1535.92416	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+2Na-H"	44.97116
"634001"	2281.40066	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+2Na-H"	44.97116
"1139328"	790.44766	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2Na-H"	44.97116
"178244"	768.465718	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+2Na"	45.978436
"623273"	1141.203968	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+2Na"	45.978436
"1130197"	395.727468	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2Na"	45.978436
"1411277"	264.154070666667	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H+2Na"	46.985712
"1442072"	792.489246	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H+HCOOH"	47.012746
"233955"	773.49874	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+3H2O+2H"	56.04448
"1519100"	806.54129	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+IsoProp+H"	61.06479
"420244"	776.452688	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+Na+K"	61.952376
"783794"	1149.190938	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+Na+K"	61.952376
"1680485"	403.714438	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Na+K"	61.952376
"266641"	1554.968768	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+ACN+Na"	64.015768
"1240805"	809.492268	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+ACN+Na"	64.015768
"1727748"	809.515793	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+NH4+HCOOH"	64.039293
"1192136"	271.481384666667	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+3Na"	68.967654
"1655105"	814.471188	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Na+HCOOH"	68.994688
"161965"	1567.87204	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+2K-H"	76.91904
"603712"	2313.34854	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+2K-H"	76.91904
"1096611"	822.39554	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2K-H"	76.91904
"142974"	784.439658	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"2M+2K"	77.926316
"584600"	1157.177908	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"3M+2K"	77.926316
"1073489"	411.701408	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2K"	77.926316
"1111073"	824.410092	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2K+H"	78.933592
"1348552"	824.497707	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+DMSO+H"	79.021207
"1018176"	828.536876	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2ACN+H"	83.060376
"1538486"	829.530508	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+IsoProp+Na+H"	84.054008
"1004574"	414.772076	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+2ACN+2H"	84.067652
"1601257"	830.445128	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+K+HCOOH"	84.968628
"1429589"	860.476638	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+H+CF3COOH"	115.000138
"1161577"	435.285351	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+3ACN+2H"	125.094202
"1711857"	877.503185	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+NH4+CF3COOH"	132.026685
"1641676"	882.45858	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+Na+CF3COOH"	136.98208
"1582795"	898.43252	"C11056"	"Spinosyn D;Spinosad factor D"	"C42H67NO10"	"745.4765"	"M+K+CF3COOH"	152.95602
"812068"	289.9224	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M"	0
"980131"	270.90401	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"69468"	192.274324	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"510121"	288.915124	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"882456"	95.633524	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"15339"	288.915124	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"455060"	433.876324	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"831896"	143.953924	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"93955"	578.837524	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"533637"	868.759924	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"910830"	288.915124	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"60335"	595.864071	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"502087"	885.786471	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"878916"	305.941671	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"36490"	600.819466	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"477144"	890.741866	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"854945"	310.897066	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1631040"	310.897066	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"108298"	306.903463	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"548836"	451.864663	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"941139"	161.942263	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"279213"	614.814202	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"674064"	904.736602	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1286224"	324.891802	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"30361"	616.793406	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"465060"	906.715806	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"847726"	326.871006	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1569997"	326.871006	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"954232"	334.920594	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"375726"	624.843001	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"356328"	638.858651	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1507963"	348.936251	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"970518"	356.902551	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"125264"	324.891802	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"564945"	469.853002	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1036176"	179.930602	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1253929"	368.841285	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1318562"	370.897272	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1329497"	392.879229	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"926150"	402.907986	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1303707"	438.884664	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1378707"	254.909724	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1390736"	272.9197	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"294798"	580.852076	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"690138"	870.774476	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1361391"	290.929676	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"136466"	290.929676	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"575669"	435.890876	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1042647"	145.968476	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"206540"	194.288876	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"646097"	290.929676	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1167142"	97.648076	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"427128"	597.878623	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"786670"	887.801023	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1682630"	307.956223	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"330909"	299.4429495	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"729529"	444.4041495	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1482256"	154.4817495	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"400934"	602.834018	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"758650"	892.756418	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1610029"	312.911618	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"320068"	301.920647	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"709210"	446.881847	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1466308"	156.959447	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1056285"	104.97539	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1258690"	322.955886	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"378359"	618.807958	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"741177"	908.730358	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1540679"	328.885558	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"301864"	309.907617	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"695743"	454.868817	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1455762"	164.946417	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"244727"	621.878626	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1222904"	331.956226	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1208610"	166.481751	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"202814"	624.81596	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"633747"	914.73836	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1137252"	334.89356	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"181636"	312.911618	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"626543"	457.872818	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1130790"	167.950418	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1410415"	112.302704	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1444487"	336.935146	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"234545"	317.94464	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1519576"	350.98719	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"421814"	320.898588	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"783782"	465.859788	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1680232"	175.937388	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"266144"	643.860568	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1240556"	353.938168	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1726280"	353.961693	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1191760"	119.630018	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1654120"	358.917088	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"160982"	656.76384	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"606011"	946.68624	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1092710"	366.84144	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"142963"	328.885558	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"582645"	473.846758	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1071412"	183.924358	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1104622"	368.855992	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1348662"	368.943607	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1020473"	372.982776	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1539577"	373.976408	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"1003953"	186.995026	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1602344"	374.891028	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1428122"	404.922538	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1160598"	207.508301	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1708326"	421.949085	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1645067"	426.90448	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1582905"	442.87842	"C11057"	"3434-Tetrachlorobiphenyl;PCB 77"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"803428"	319.8965	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M"	0
"980241"	300.87811	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-H2O-H"	-19.01839
"69578"	212.257057333333	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M-3H"	-3.021828
"510231"	318.889224	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M-3H"	-3.021828
"882566"	105.624890666667	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-3H"	-3.021828
"15489"	318.889224	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M-2H"	-2.014552
"455257"	478.837474	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M-2H"	-2.014552
"832410"	158.940974	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-2H"	-2.014552
"93578"	638.785724	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M-H"	-1.007276
"533988"	958.682224	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M-H"	-1.007276
"910938"	318.889224	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-H"	-1.007276
"60445"	655.812271	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M-2H+NH4"	16.019271
"501590"	975.708771	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M-2H+NH4"	16.019271
"878298"	335.915771	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-2H+NH4"	16.019271
"39880"	660.767666	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M-2H+Na"	20.974666
"480534"	980.664166	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M-2H+Na"	20.974666
"851775"	340.871166	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-2H+Na"	20.974666
"1631150"	340.871166	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Na-2H"	20.974666
"105492"	336.877563	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M-H+Cl"	33.962126
"549149"	496.825813	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M-H+Cl"	33.962126
"942221"	176.929313	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-H+Cl"	33.962126
"279690"	674.762402	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+Cl"	34.969402
"673448"	994.658902	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+Cl"	34.969402
"1284878"	354.865902	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Cl"	34.969402
"29258"	676.741606	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M-2H+K"	36.948606
"468452"	996.638106	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M-2H+K"	36.948606
"847352"	356.845106	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-2H+K"	36.948606
"1569743"	356.845106	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+K-2H"	36.948606
"955075"	364.894694	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-H+HCOOH"	44.998194
"375476"	684.791201	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+HCOOH-H"	44.998201
"357899"	698.806851	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+Hac-H"	59.013851
"1507710"	378.910351	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Hac-H"	59.013851
"972821"	386.876651	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-H+NaCOOH"	66.980151
"125008"	354.865902	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+2Cl"	69.938804
"563113"	514.814152	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+2Cl"	69.938804
"1035556"	194.917652	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2Cl"	69.938804
"1255133"	398.815385	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Br"	78.918885
"1318308"	400.871372	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Cl+HCOOH"	80.974872
"1334348"	422.853329	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Cl+NaCOOH"	102.956829
"926994"	432.882086	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M-H+CF3COOH"	112.985586
"1302846"	468.858764	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Cl+CF3COOH"	148.962264
"1379185"	284.883824	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H-2H2O"	-35.012676
"1395588"	302.8938	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H-H2O"	-17.0027
"297097"	640.800276	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+H"	1.007276
"688427"	960.696776	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+H"	1.007276
"1358220"	320.903776	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H"	1.007276
"132203"	320.903776	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+2H"	2.014552
"577601"	480.852026	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+2H"	2.014552
"1046036"	160.955526	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2H"	2.014552
"211751"	214.271609333333	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+3H"	3.021828
"648031"	320.903776	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+3H"	3.021828
"1167251"	107.639442666667	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+3H"	3.021828
"426878"	657.826823	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+NH4"	18.033823
"789330"	977.723323	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+NH4"	18.033823
"1684566"	337.930323	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+NH4"	18.033823
"331748"	329.4170495	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+H+NH4"	19.041099
"730732"	489.3652995	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+H+NH4"	19.041099
"1485646"	169.4687995	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H+NH4"	19.041099
"402137"	662.782218	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+Na"	22.989218
"758760"	982.678718	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+Na"	22.989218
"1611233"	342.885718	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Na"	22.989218
"321269"	331.894747	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+H+Na"	23.996494
"711506"	491.842997	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+H+Na"	23.996494
"1470792"	171.946497	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H+Na"	23.996494
"1054574"	114.966756666667	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2H+Na"	25.00377
"1258435"	352.929986	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+CH3OH+H"	33.033486
"379562"	678.756158	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+K"	38.963158
"738812"	998.652658	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+K"	38.963158
"1540789"	358.859658	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+K"	38.963158
"302704"	339.881717	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+H+K"	39.970434
"698041"	499.829967	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+H+K"	39.970434
"1455142"	179.933467	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H+K"	39.970434
"247753"	681.826826	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+ACN+H"	42.033826
"1223744"	361.930326	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+ACN+H"	42.033826
"1208601"	181.468801	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+ACN+2H"	43.041102
"203294"	684.76416	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+2Na-H"	44.97116
"637137"	1004.66066	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+2Na-H"	44.97116
"1140278"	364.86766	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2Na-H"	44.97116
"177371"	342.885718	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+2Na"	45.978436
"625681"	502.833968	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+2Na"	45.978436
"1130415"	182.937468	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2Na"	45.978436
"1411634"	122.294070666667	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H+2Na"	46.985712
"1444840"	366.909246	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H+HCOOH"	47.012746
"234418"	347.91874	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+3H2O+2H"	56.04448
"1519686"	380.96129	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+IsoProp+H"	61.06479
"419008"	350.872688	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+Na+K"	61.952376
"782920"	510.820938	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+Na+K"	61.952376
"1680218"	190.924438	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Na+K"	61.952376
"266013"	703.808768	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+ACN+Na"	64.015768
"1240543"	383.912268	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+ACN+Na"	64.015768
"1725904"	383.935793	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+NH4+HCOOH"	64.039293
"1190897"	129.621384666667	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+3Na"	68.967654
"1650950"	388.891188	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Na+HCOOH"	68.994688
"161091"	716.71204	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+2K-H"	76.91904
"601746"	1036.60854	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+2K-H"	76.91904
"1085042"	396.81554	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2K-H"	76.91904
"143075"	358.859658	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"2M+2K"	77.926316
"581984"	518.807908	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"3M+2K"	77.926316
"1071519"	198.911408	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2K"	77.926316
"1104729"	398.830092	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2K+H"	78.933592
"1341116"	398.917707	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+DMSO+H"	79.021207
"1019489"	402.956876	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2ACN+H"	83.060376
"1538955"	403.950508	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+IsoProp+Na+H"	84.054008
"1004794"	201.982076	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+2ACN+2H"	84.067652
"1602497"	404.865128	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+K+HCOOH"	84.968628
"1429325"	434.896638	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+H+CF3COOH"	115.000138
"1161436"	222.495351	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+3ACN+2H"	125.094202
"1711714"	451.923185	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+NH4+CF3COOH"	132.026685
"1642990"	456.87858	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+Na+CF3COOH"	136.98208
"1583015"	472.85252	"C11058"	"1234-Tetrachlorodibenzodioxin;1234-TCDD;1234-Tetrachlorodibenzo-p-dioxin"	"C12H4Cl4O2"	"319.8965"	"M+K+CF3COOH"	152.95602
"803538"	319.8965	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M"	0
"977071"	300.87811	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-H2O-H"	-19.01839
"63611"	212.257057333333	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M-3H"	-3.021828
"504870"	318.889224	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M-3H"	-3.021828
"882676"	105.624890666667	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-3H"	-3.021828
"15114"	318.889224	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M-2H"	-2.014552
"455201"	478.837474	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M-2H"	-2.014552
"832316"	158.940974	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-2H"	-2.014552
"93886"	638.785724	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M-H"	-1.007276
"533120"	958.682224	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M-H"	-1.007276
"910683"	318.889224	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-H"	-1.007276
"60191"	655.812271	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M-2H+NH4"	16.019271
"502188"	975.708771	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M-2H+NH4"	16.019271
"879134"	335.915771	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-2H+NH4"	16.019271
"42176"	660.767666	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M-2H+Na"	20.974666
"480643"	980.664166	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M-2H+Na"	20.974666
"855165"	340.871166	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-2H+Na"	20.974666
"1631260"	340.871166	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Na-2H"	20.974666
"107789"	336.877563	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M-H+Cl"	33.962126
"547354"	496.825813	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M-H+Cl"	33.962126
"942452"	176.929313	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-H+Cl"	33.962126
"279435"	674.762402	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+Cl"	34.969402
"674409"	994.658902	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+Cl"	34.969402
"1287541"	354.865902	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Cl"	34.969402
"30099"	676.741606	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M-2H+K"	36.948606
"468929"	996.638106	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M-2H+K"	36.948606
"847826"	356.845106	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-2H+K"	36.948606
"1569488"	356.845106	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+K-2H"	36.948606
"958102"	364.894694	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-H+HCOOH"	44.998194
"375586"	684.791201	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+HCOOH-H"	44.998201
"357645"	698.806851	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+Hac-H"	59.013851
"1506115"	378.910351	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Hac-H"	59.013851
"973419"	386.876651	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-H+NaCOOH"	66.980151
"123662"	354.865902	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+2Cl"	69.938804
"562494"	514.814152	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+2Cl"	69.938804
"1036885"	194.917652	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2Cl"	69.938804
"1255242"	398.815385	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Br"	78.918885
"1318783"	400.871372	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Cl+HCOOH"	80.974872
"1335187"	422.853329	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Cl+NaCOOH"	102.956829
"926372"	432.882086	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M-H+CF3COOH"	112.985586
"1301860"	468.858764	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Cl+CF3COOH"	148.962264
"1381482"	284.883824	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H-2H2O"	-35.012676
"1398252"	302.8938	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H-H2O"	-17.0027
"297572"	640.800276	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+H"	1.007276
"685260"	960.696776	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+H"	1.007276
"1356144"	320.903776	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H"	1.007276
"135595"	320.903776	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+2H"	2.014552
"577343"	480.852026	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+2H"	2.014552
"1046141"	160.955526	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2H"	2.014552
"211861"	214.271609333333	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+3H"	3.021828
"648141"	320.903776	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+3H"	3.021828
"1170640"	107.639442666667	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+3H"	3.021828
"431725"	657.826823	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+NH4"	18.033823
"791627"	977.723323	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+NH4"	18.033823
"1685041"	337.930323	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+NH4"	18.033823
"333683"	329.4170495	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+H+NH4"	19.041099
"727563"	489.3652995	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+H+NH4"	19.041099
"1484663"	169.4687995	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H+NH4"	19.041099
"400061"	662.782218	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+Na"	22.989218
"759965"	982.678718	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+Na"	22.989218
"1613530"	342.885718	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Na"	22.989218
"319194"	331.894747	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+H+Na"	23.996494
"710522"	491.842997	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+H+Na"	23.996494
"1469810"	171.946497	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H+Na"	23.996494
"1058693"	114.966756666667	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2H+Na"	25.00377
"1258180"	352.929986	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+CH3OH+H"	33.033486
"380038"	678.756158	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+K"	38.963158
"741762"	998.652658	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+K"	38.963158
"1544178"	358.859658	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+K"	38.963158
"306822"	339.881717	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+H+K"	39.970434
"699244"	499.829967	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+H+K"	39.970434
"1454156"	179.933467	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H+K"	39.970434
"248225"	681.826826	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+ACN+H"	42.033826
"1220933"	361.930326	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+ACN+H"	42.033826
"1204816"	181.468801	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+ACN+2H"	43.041102
"199874"	684.76416	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+2Na-H"	44.97116
"639434"	1004.66066	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+2Na-H"	44.97116
"1139657"	364.86766	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2Na-H"	44.97116
"177480"	342.885718	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+2Na"	45.978436
"622510"	502.833968	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+2Na"	45.978436
"1130887"	182.937468	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2Na"	45.978436
"1413199"	122.294070666667	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H+2Na"	46.985712
"1443488"	366.909246	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H+HCOOH"	47.012746
"235011"	347.91874	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+3H2O+2H"	56.04448
"1522713"	380.96129	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+IsoProp+H"	61.06479
"420211"	350.872688	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+Na+K"	61.952376
"785297"	510.820938	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+Na+K"	61.952376
"1679843"	190.924438	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Na+K"	61.952376
"266853"	703.808768	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+ACN+Na"	64.015768
"1241019"	383.912268	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+ACN+Na"	64.015768
"1726986"	383.935793	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+NH4+HCOOH"	64.039293
"1194044"	129.621384666667	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+3Na"	68.967654
"1657622"	388.891188	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Na+HCOOH"	68.994688
"163388"	716.71204	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+2K-H"	76.91904
"601857"	1036.60854	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+2K-H"	76.91904
"1084666"	396.81554	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2K-H"	76.91904
"143185"	358.859658	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"2M+2K"	77.926316
"583838"	518.807908	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"3M+2K"	77.926316
"1070536"	198.911408	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2K"	77.926316
"1105932"	398.830092	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2K+H"	78.933592
"1343412"	398.917707	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+DMSO+H"	79.021207
"1020450"	402.956876	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2ACN+H"	83.060376
"1539864"	403.950508	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+IsoProp+Na+H"	84.054008
"1005619"	201.982076	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+2ACN+2H"	84.067652
"1602648"	404.865128	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+K+HCOOH"	84.968628
"1429310"	434.896638	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+H+CF3COOH"	115.000138
"1161546"	222.495351	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+3ACN+2H"	125.094202
"1711824"	451.923185	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+NH4+CF3COOH"	132.026685
"1642007"	456.87858	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+Na+CF3COOH"	136.98208
"1583125"	472.85252	"C11059"	"1368-Tetrachlorodibenzo-p-dioxin;1368-Tetrachlorodibenzodioxin;1368-TCDD"	"C12H4Cl4O2"	"319.8965"	"M+K+CF3COOH"	152.95602
"804740"	264.1362	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M"	0
"979367"	245.11781	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"66516"	175.083524	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"504615"	263.128924	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"886066"	87.038124	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"15579"	263.128924	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"455440"	395.197024	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"832585"	131.060824	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"94126"	527.265124	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"534129"	791.401324	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"910424"	263.128924	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"61030"	544.291671	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"502258"	808.427871	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"879002"	280.155471	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"43379"	549.247066	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"480754"	813.383266	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"855275"	285.110866	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1631370"	285.110866	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"102432"	281.117263	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"544182"	413.185363	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"939885"	149.049163	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"278817"	563.241802	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"674640"	827.378002	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1287409"	299.105602	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"30696"	565.221006	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"469039"	829.357206	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"848335"	301.084806	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1569598"	301.084806	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"957402"	309.134394	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"376591"	573.270601	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"361273"	587.286251	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1506225"	323.150051	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"973489"	331.116351	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"124136"	299.105602	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"565620"	431.173702	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1036954"	167.037502	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1256445"	343.055085	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1319842"	345.111072	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1335552"	367.093029	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"926983"	377.121786	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1303064"	413.098464	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1381957"	229.123524	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1398231"	247.1335	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"297683"	529.279676	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"691202"	793.415876	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1360627"	265.143476	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"134612"	265.143476	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"577454"	397.211576	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1047345"	133.075376	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"214154"	177.098076	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"650438"	265.143476	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1169656"	89.052676	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"435115"	546.306223	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"793923"	810.442423	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1686974"	282.170023	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"335252"	273.6567495	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"733139"	405.7248495	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1486958"	141.5886495	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"403451"	551.261618	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"762261"	815.397818	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1613640"	287.125418	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"321490"	276.134447	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"716098"	408.202547	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1472105"	144.066347	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1058802"	96.37999	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1261208"	297.169686	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"382334"	567.235558	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"741872"	831.371758	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1545382"	303.099358	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"308025"	284.121417	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"699355"	416.189517	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1457547"	152.053317	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"249064"	570.306226	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1219950"	306.170026	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1201646"	153.588651	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"199984"	573.24356	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"637357"	837.37976	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1138675"	309.10736	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"180870"	287.125418	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"618245"	419.193518	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1131035"	155.057318	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1413921"	103.707304	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1444327"	311.148946	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"235450"	292.15844	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1521727"	325.20099	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"422872"	295.112388	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"785081"	427.180488	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1680804"	163.044288	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"266350"	592.288168	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1240515"	328.151968	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1728029"	328.175493	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1193831"	111.034618	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1659920"	333.130888	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"162406"	605.19144	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"600506"	869.32764	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1086841"	341.05524	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"144387"	303.099358	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"586134"	435.167458	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1075022"	171.031258	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1108230"	343.069792	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1346805"	343.157407	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1020565"	347.196576	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1539705"	348.190208	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"1005340"	174.101926	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1602636"	349.104828	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1428812"	379.136338	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1161291"	194.615201	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1711934"	396.162885	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1642117"	401.11828	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1583235"	417.09222	"C11060"	"(-)-Abscisic acid;(-)-ABA"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"803758"	476.241	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M"	0
"976195"	457.22261	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-H2O-H"	-19.01839
"63347"	316.486724	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M-3H"	-3.021828
"503038"	475.233724	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M-3H"	-3.021828
"885083"	157.739724	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-3H"	-3.021828
"14725"	475.233724	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M-2H"	-2.014552
"454407"	713.354224	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M-2H"	-2.014552
"827224"	237.113224	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-2H"	-2.014552
"92320"	951.474724	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M-H"	-1.007276
"533216"	1427.715724	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M-H"	-1.007276
"909441"	475.233724	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-H"	-1.007276
"56767"	968.501271	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M-2H+NH4"	16.019271
"501801"	1444.742271	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M-2H+NH4"	16.019271
"878868"	492.260271	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-2H+NH4"	16.019271
"41303"	973.456666	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M-2H+Na"	20.974666
"480864"	1449.697666	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M-2H+Na"	20.974666
"855385"	497.215666	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-2H+Na"	20.974666
"1632574"	497.215666	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Na-2H"	20.974666
"102542"	493.222063	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M-H+Cl"	33.962126
"546478"	731.342563	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M-H+Cl"	33.962126
"937809"	255.101563	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-H+Cl"	33.962126
"281718"	987.451402	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+Cl"	34.969402
"675520"	1463.692402	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+Cl"	34.969402
"1287153"	511.210402	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Cl"	34.969402
"29225"	989.430606	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M-2H+K"	36.948606
"466597"	1465.671606	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M-2H+K"	36.948606
"845491"	513.189606	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-2H+K"	36.948606
"1570073"	513.189606	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+K-2H"	36.948606
"957227"	521.239194	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-H+HCOOH"	44.998194
"374711"	997.480201	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+HCOOH-H"	44.998201
"359324"	1011.495851	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+Hac-H"	59.013851
"1507063"	535.254851	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Hac-H"	59.013851
"972787"	543.221151	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-H+NaCOOH"	66.980151
"123878"	511.210402	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+2Cl"	69.938804
"562707"	749.330902	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+2Cl"	69.938804
"1035518"	273.089902	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2Cl"	69.938804
"1253272"	555.159885	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Br"	78.918885
"1314626"	557.215872	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Cl+HCOOH"	80.974872
"1333216"	579.197829	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Cl+NaCOOH"	102.956829
"919902"	589.226586	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M-H+CF3COOH"	112.985586
"1293329"	625.203264	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Cl+CF3COOH"	148.962264
"1378056"	441.228324	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H-2H2O"	-35.012676
"1398269"	459.2383	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H-H2O"	-17.0027
"295239"	953.489276	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+H"	1.007276
"690215"	1429.730276	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+H"	1.007276
"1363655"	477.248276	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H"	1.007276
"136912"	477.248276	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+2H"	2.014552
"575017"	715.368776	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+2H"	2.014552
"1047457"	239.127776	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2H"	2.014552
"214270"	318.501276	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+3H"	3.021828
"648359"	477.248276	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+3H"	3.021828
"1168673"	159.754276	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+3H"	3.021828
"431944"	970.515823	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+NH4"	18.033823
"790756"	1446.756823	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+NH4"	18.033823
"1685992"	494.274823	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+NH4"	18.033823
"332083"	485.7615495	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+H+NH4"	19.041099
"728875"	723.8820495	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+H+NH4"	19.041099
"1484881"	247.6410495	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H+NH4"	19.041099
"400282"	975.471218	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+Na"	22.989218
"762371"	1451.712218	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+Na"	22.989218
"1613749"	499.230218	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Na"	22.989218
"321599"	488.239247	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+H+Na"	23.996494
"716207"	726.359747	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+H+Na"	23.996494
"1468934"	250.118747	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H+Na"	23.996494
"1058912"	167.08159	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2H+Na"	25.00377
"1263871"	509.274486	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+CH3OH+H"	33.033486
"380259"	991.445158	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+K"	38.963158
"741254"	1467.686158	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+K"	38.963158
"1548773"	515.204158	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+K"	38.963158
"307041"	496.226217	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+H+K"	39.970434
"698734"	734.346717	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+H+K"	39.970434
"1455470"	258.105717	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H+K"	39.970434
"248445"	994.515826	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+ACN+H"	42.033826
"1220060"	518.274826	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+ACN+H"	42.033826
"1201756"	259.641051	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+ACN+2H"	43.041102
"197907"	997.45316	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+2Na-H"	44.97116
"634186"	1473.69416	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+2Na-H"	44.97116
"1136598"	521.21216	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2Na-H"	44.97116
"177700"	499.230218	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+2Na"	45.978436
"616166"	737.350718	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+2Na"	45.978436
"1129523"	261.109718	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2Na"	45.978436
"1414091"	174.408904	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H+2Na"	46.985712
"1443344"	523.253746	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H+HCOOH"	47.012746
"235187"	504.26324	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+3H2O+2H"	56.04448
"1523537"	537.30579	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+IsoProp+H"	61.06479
"423467"	507.217188	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+Na+K"	61.952376
"785070"	745.337688	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+Na+K"	61.952376
"1679212"	269.096688	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Na+K"	61.952376
"266907"	1016.497768	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+ACN+Na"	64.015768
"1239166"	540.256768	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+ACN+Na"	64.015768
"1726960"	540.280293	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+NH4+HCOOH"	64.039293
"1194094"	181.736218	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+3Na"	68.967654
"1655656"	545.235688	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Na+HCOOH"	68.994688
"164702"	1029.40104	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+2K-H"	76.91904
"602075"	1505.64204	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+2K-H"	76.91904
"1087316"	553.16004	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2K-H"	76.91904
"146684"	515.204158	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"2M+2K"	77.926316
"586247"	753.324658	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"3M+2K"	77.926316
"1075132"	277.083658	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2K"	77.926316
"1106153"	555.174592	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2K+H"	78.933592
"1351052"	555.262207	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+DMSO+H"	79.021207
"1021038"	559.301376	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2ACN+H"	83.060376
"1539806"	560.295008	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+IsoProp+Na+H"	84.054008
"1005247"	280.154326	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+2ACN+2H"	84.067652
"1602589"	561.209628	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+K+HCOOH"	84.968628
"1428922"	591.241138	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+H+CF3COOH"	115.000138
"1162130"	300.667601	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+3ACN+2H"	125.094202
"1712640"	608.267685	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+NH4+CF3COOH"	132.026685
"1642227"	613.22308	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+Na+CF3COOH"	136.98208
"1583345"	629.19702	"C11061"	"all-trans-Retinoyl-beta-glucuronide;Retinoyl glucuronide"	"C26H36O8"	"476.241"	"M+K+CF3COOH"	152.95602
"802408"	853.152	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M"	0
"975576"	834.13361	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H2O-H"	-19.01839
"64914"	567.760724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-3H"	-3.021828
"503499"	852.144724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-3H"	-3.021828
"885193"	283.376724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-3H"	-3.021828
"5955"	852.144724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H"	-2.014552
"454518"	1278.720724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H"	-2.014552
"830613"	425.568724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H"	-2.014552
"92549"	1705.296724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H"	-1.007276
"532477"	2558.448724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H"	-1.007276
"909916"	852.144724	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H"	-1.007276
"57604"	1722.323271	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+NH4"	16.019271
"499962"	2575.475271	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+NH4"	16.019271
"878252"	869.171271	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+NH4"	16.019271
"45059"	1727.278666	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+Na"	20.974666
"485227"	2580.430666	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+Na"	20.974666
"855495"	874.126666	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+Na"	20.974666
"1631590"	874.126666	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na-2H"	20.974666
"105932"	870.133063	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H+Cl"	33.962126
"546588"	1296.709063	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H+Cl"	33.962126
"933542"	443.557063	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+Cl"	33.962126
"280128"	1741.273402	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Cl"	34.969402
"674855"	2594.425402	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Cl"	34.969402
"1286774"	888.121402	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl"	34.969402
"29329"	1743.252606	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+K"	36.948606
"469982"	2596.404606	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+K"	36.948606
"846696"	890.100606	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+K"	36.948606
"1570063"	890.100606	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K-2H"	36.948606
"958063"	898.150194	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+HCOOH"	44.998194
"375915"	1751.302201	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+HCOOH-H"	44.998201
"360161"	1765.317851	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Hac-H"	59.013851
"1506445"	912.165851	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Hac-H"	59.013851
"971803"	920.132151	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+NaCOOH"	66.980151
"124717"	888.121402	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Cl"	69.938804
"564640"	1314.697402	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Cl"	69.938804
"1035263"	461.545402	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Cl"	69.938804
"1253382"	932.070885	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Br"	78.918885
"1318017"	934.126872	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+HCOOH"	80.974872
"1333326"	956.108829	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+NaCOOH"	102.956829
"920012"	966.137586	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+CF3COOH"	112.985586
"1296719"	1002.114264	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+CF3COOH"	148.962264
"1374884"	818.139324	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-2H2O"	-35.012676
"1391288"	836.1493	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-H2O"	-17.0027
"293163"	1707.311276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H"	1.007276
"689596"	2560.463276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H"	1.007276
"1363037"	854.159276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H"	1.007276
"138480"	854.159276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2H"	2.014552
"575487"	1280.735276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2H"	2.014552
"1049393"	427.583276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H"	2.014552
"215472"	569.775276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H"	3.021828
"649564"	854.159276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+3H"	3.021828
"1169876"	285.391276	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3H"	3.021828
"425860"	1724.337823	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+NH4"	18.033823
"789771"	2577.489823	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+NH4"	18.033823
"1688289"	871.185823	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4"	18.033823
"335471"	862.6725495	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+NH4"	19.041099
"724611"	1289.2485495	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+NH4"	19.041099
"1484992"	436.0965495	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+NH4"	19.041099
"401488"	1729.293218	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na"	22.989218
"762483"	2582.445218	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na"	22.989218
"1610580"	876.141218	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na"	22.989218
"321709"	865.150247	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+Na"	23.996494
"715225"	1291.726247	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+Na"	23.996494
"1469043"	438.574247	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+Na"	23.996494
"1061209"	292.71859	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H+Na"	25.00377
"1266168"	886.185486	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+CH3OH+H"	33.033486
"386929"	1745.267158	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+K"	38.963158
"745738"	2598.419158	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+K"	38.963158
"1552163"	892.115158	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K"	38.963158
"310432"	873.137217	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+K"	39.970434
"699574"	1299.713217	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+K"	39.970434
"1456674"	446.561217	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+K"	39.970434
"247827"	1748.337826	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+H"	42.033826
"1223086"	895.185826	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+H"	42.033826
"1204053"	448.096551	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+2H"	43.041102
"198017"	1751.27516	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na-H"	44.97116
"639399"	2604.42716	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na-H"	44.97116
"1141081"	898.12316	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na-H"	44.97116
"181090"	876.141218	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na"	45.978436
"621743"	1302.717218	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na"	45.978436
"1128909"	449.565218	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na"	45.978436
"1412797"	300.045904	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+2Na"	46.985712
"1444549"	900.164746	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+HCOOH"	47.012746
"234975"	881.17424	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H2O+2H"	56.04448
"1523403"	914.21679	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+H"	61.06479
"422729"	884.128188	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na+K"	61.952376
"785264"	1310.704188	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na+K"	61.952376
"1681291"	457.552188	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+K"	61.952376
"266735"	1770.319768	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+Na"	64.015768
"1238912"	917.167768	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+Na"	64.015768
"1724155"	917.191293	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+HCOOH"	64.039293
"1194162"	307.373218	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3Na"	68.967654
"1660139"	922.146688	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+HCOOH"	68.994688
"168095"	1783.22304	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K-H"	76.91904
"600001"	2636.37504	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K-H"	76.91904
"1088885"	930.07104	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K-H"	76.91904
"146795"	892.115158	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K"	77.926316
"587450"	1318.691158	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K"	77.926316
"1077428"	465.539158	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K"	77.926316
"1107356"	932.085592	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K+H"	78.933592
"1349947"	932.173207	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+DMSO+H"	79.021207
"1021233"	936.212376	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+H"	83.060376
"1539810"	937.206008	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+Na+H"	84.054008
"1005475"	468.609826	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+2H"	84.067652
"1602565"	938.120628	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+HCOOH"	84.968628
"1426845"	968.152138	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+CF3COOH"	115.000138
"1162483"	489.123101	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3ACN+2H"	125.094202
"1711061"	985.178685	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+CF3COOH"	132.026685
"1642337"	990.13408	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+CF3COOH"	136.98208
"1583455"	1006.10802	"C11062"	"4-Hydroxybutyryl-CoA;4-Hydroxybutanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+CF3COOH"	152.95602
"805070"	316.9413	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M"	0
"976415"	297.92291	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-H2O-H"	-19.01839
"65024"	210.286924	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M-3H"	-3.021828
"504580"	315.934024	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M-3H"	-3.021828
"886396"	104.639824	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-3H"	-3.021828
"6065"	315.934024	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M-2H"	-2.014552
"454628"	474.404674	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M-2H"	-2.014552
"830723"	157.463374	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-2H"	-2.014552
"92780"	632.875324	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M-H"	-1.007276
"533559"	949.816624	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M-H"	-1.007276
"908439"	315.934024	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-H"	-1.007276
"54066"	649.901871	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M-2H+NH4"	16.019271
"498002"	966.843171	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M-2H+NH4"	16.019271
"877628"	332.960571	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-2H+NH4"	16.019271
"45413"	654.857266	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M-2H+Na"	20.974666
"481084"	971.798566	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M-2H+Na"	20.974666
"858885"	337.915966	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-2H+Na"	20.974666
"1626233"	337.915966	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Na-2H"	20.974666
"98022"	333.922363	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M-H+Cl"	33.962126
"544512"	492.393013	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M-H+Cl"	33.962126
"933652"	175.451713	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-H+Cl"	33.962126
"281575"	668.852002	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+Cl"	34.969402
"674726"	985.793302	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+Cl"	34.969402
"1285790"	351.910702	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Cl"	34.969402
"29318"	670.831206	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M-2H+K"	36.948606
"470098"	987.772506	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M-2H+K"	36.948606
"847410"	353.889906	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-2H+K"	36.948606
"1569806"	353.889906	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+K-2H"	36.948606
"956351"	361.939494	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-H+HCOOH"	44.998194
"375295"	678.880801	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+HCOOH-H"	44.998201
"359178"	692.896451	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+Hac-H"	59.013851
"1503640"	375.955151	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Hac-H"	59.013851
"966812"	383.921451	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-H+NaCOOH"	66.980151
"121185"	351.910702	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+2Cl"	69.938804
"563657"	510.381352	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+2Cl"	69.938804
"1035011"	193.440052	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2Cl"	69.938804
"1254953"	395.860185	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Br"	78.918885
"1317401"	397.916172	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Cl+HCOOH"	80.974872
"1334168"	419.898129	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Cl+NaCOOH"	102.956829
"923403"	429.926886	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M-H+CF3COOH"	112.985586
"1295736"	465.903564	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Cl+CF3COOH"	148.962264
"1372810"	281.928624	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H-2H2O"	-35.012676
"1394683"	299.9386	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H-H2O"	-17.0027
"295098"	634.889876	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+H"	1.007276
"688250"	951.831176	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+H"	1.007276
"1360965"	317.948576	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H"	1.007276
"137134"	317.948576	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+2H"	2.014552
"577422"	476.419226	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+2H"	2.014552
"1046225"	159.477926	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2H"	2.014552
"214491"	212.301476	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+3H"	3.021828
"652955"	317.948576	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+3H"	3.021828
"1174361"	106.654376	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+3H"	3.021828
"427063"	651.916423	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+NH4"	18.033823
"790974"	968.857723	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+NH4"	18.033823
"1689493"	334.975123	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+NH4"	18.033823
"342142"	326.4618495	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+H+NH4"	19.041099
"731283"	484.9324995	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+H+NH4"	19.041099
"1486195"	167.9911995	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H+NH4"	19.041099
"403786"	656.871818	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+Na"	22.989218
"763686"	973.813118	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+Na"	22.989218
"1612876"	339.930518	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Na"	22.989218
"322912"	328.939547	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+H+Na"	23.996494
"718614"	487.410197	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+H+Na"	23.996494
"1469153"	170.468897	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H+Na"	23.996494
"1061319"	113.98169	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2H+Na"	25.00377
"1266278"	349.974786	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+CH3OH+H"	33.033486
"387040"	672.845758	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+K"	38.963158
"744755"	989.787058	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+K"	38.963158
"1553004"	355.904458	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+K"	38.963158
"309085"	336.926517	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+H+K"	39.970434
"701872"	495.397167	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+H+K"	39.970434
"1458609"	178.455867	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H+K"	39.970434
"247937"	675.916426	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+ACN+H"	42.033826
"1223196"	358.975126	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+ACN+H"	42.033826
"1203069"	179.991201	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+ACN+2H"	43.041102
"198127"	678.85376	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+2Na-H"	44.97116
"638779"	995.79506	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+2Na-H"	44.97116
"1141191"	361.91246	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2Na-H"	44.97116
"181200"	339.930518	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+2Na"	45.978436
"621853"	498.401168	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+2Na"	45.978436
"1129018"	181.459868	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2Na"	45.978436
"1412542"	121.309004	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H+2Na"	46.985712
"1442107"	363.954046	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H+HCOOH"	47.012746
"235328"	344.96354	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+3H2O+2H"	56.04448
"1522663"	378.00609	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+IsoProp+H"	61.06479
"421383"	347.917488	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+Na+K"	61.952376
"784560"	506.388138	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+Na+K"	61.952376
"1680773"	189.446838	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Na+K"	61.952376
"266196"	697.898368	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+ACN+Na"	64.015768
"1238293"	380.957068	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+ACN+Na"	64.015768
"1725359"	380.980593	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+NH4+HCOOH"	64.039293
"1194174"	128.636318	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+3Na"	68.967654
"1665113"	385.935988	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Na+HCOOH"	68.994688
"172665"	710.80164	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+2K-H"	76.91904
"604485"	1027.74294	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+2K-H"	76.91904
"1089723"	393.86034	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2K-H"	76.91904
"146905"	355.904458	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"2M+2K"	77.926316
"585374"	514.375108	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"3M+2K"	77.926316
"1074258"	197.433808	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2K"	77.926316
"1106375"	395.874892	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2K+H"	78.933592
"1351287"	395.962507	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+DMSO+H"	79.021207
"1021315"	400.001676	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2ACN+H"	83.060376
"1539872"	400.995308	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+IsoProp+Na+H"	84.054008
"1004860"	200.504476	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+2ACN+2H"	84.067652
"1602156"	401.909928	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+K+HCOOH"	84.968628
"1428049"	431.941438	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+H+CF3COOH"	115.000138
"1162227"	221.017751	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+3ACN+2H"	125.094202
"1711171"	448.967985	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+NH4+CF3COOH"	132.026685
"1642447"	453.92338	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+Na+CF3COOH"	136.98208
"1583565"	469.89732	"C11063"	"Chlornitrofen;MC-338;246-Trichlorophenyl 4-nitrophenyl ether"	"C12H6Cl3NO3"	"316.9413"	"M+K+CF3COOH"	152.95602
"805181"	328.0307	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M"	0
"976160"	309.01231	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-H2O-H"	-19.01839
"67321"	217.679857333333	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M-3H"	-3.021828
"507610"	327.023424	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M-3H"	-3.021828
"881035"	108.336290666667	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-3H"	-3.021828
"6175"	327.023424	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M-2H"	-2.014552
"455648"	491.038774	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M-2H"	-2.014552
"832293"	163.008074	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-2H"	-2.014552
"92890"	655.054124	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M-H"	-1.007276
"534198"	983.084824	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M-H"	-1.007276
"908549"	327.023424	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-H"	-1.007276
"57456"	672.080671	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M-2H+NH4"	16.019271
"499935"	1000.111371	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M-2H+NH4"	16.019271
"879566"	344.049971	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-2H+NH4"	16.019271
"45885"	677.036066	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M-2H+Na"	20.974666
"483381"	1005.066766	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M-2H+Na"	20.974666
"858995"	349.005366	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-2H+Na"	20.974666
"1626343"	349.005366	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Na-2H"	20.974666
"106152"	345.011763	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M-H+Cl"	33.962126
"545715"	509.027113	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M-H+Cl"	33.962126
"937042"	180.996413	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-H+Cl"	33.962126
"280715"	691.030802	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+Cl"	34.969402
"674715"	1019.061502	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+Cl"	34.969402
"1287237"	363.000102	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Cl"	34.969402
"29549"	693.010006	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M-2H+K"	36.948606
"468016"	1021.040706	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M-2H+K"	36.948606
"847517"	364.979306	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-2H+K"	36.948606
"1570038"	364.979306	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+K-2H"	36.948606
"956462"	373.028894	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-H+HCOOH"	44.998194
"374310"	701.059601	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+HCOOH-H"	44.998201
"358925"	715.075251	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+Hac-H"	59.013851
"1505938"	387.044551	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Hac-H"	59.013851
"969108"	395.010851	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-H+NaCOOH"	66.980151
"121295"	363.000102	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+2Cl"	69.938804
"563403"	527.015452	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+2Cl"	69.938804
"1034025"	198.984752	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2Cl"	69.938804
"1253607"	406.949585	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Br"	78.918885
"1318240"	409.005572	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Cl+HCOOH"	80.974872
"1335092"	430.987529	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Cl+NaCOOH"	102.956829
"926431"	441.016286	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M-H+CF3COOH"	112.985586
"1299127"	476.992964	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Cl+CF3COOH"	148.962264
"1376199"	293.018024	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H-2H2O"	-35.012676
"1392604"	311.028	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H-H2O"	-17.0027
"297395"	657.068676	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+H"	1.007276
"687994"	985.099376	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+H"	1.007276
"1358887"	329.037976	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H"	1.007276
"134693"	329.037976	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+2H"	2.014552
"574617"	493.053326	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+2H"	2.014552
"1045603"	165.022626	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2H"	2.014552
"211319"	219.694409333333	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+3H"	3.021828
"654159"	329.037976	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+3H"	3.021828
"1174472"	110.350842666667	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+3H"	3.021828
"430090"	674.095223	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+NH4"	18.033823
"792181"	1002.125923	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+NH4"	18.033823
"1689605"	346.064523	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+NH4"	18.033823
"341159"	337.5512495	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+H+NH4"	19.041099
"732486"	501.5665995	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+H+NH4"	19.041099
"1488494"	173.5358995	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H+NH4"	19.041099
"404990"	679.050618	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+Na"	22.989218
"767077"	1007.081318	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+Na"	22.989218
"1615172"	351.019918	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Na"	22.989218
"324116"	340.028947	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+H+Na"	23.996494
"720547"	504.044297	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+H+Na"	23.996494
"1474366"	176.013597	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H+Na"	23.996494
"1062523"	117.678156666667	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2H+Na"	25.00377
"1260921"	361.064186	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+CH3OH+H"	33.033486
"389337"	695.024558	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+K"	38.963158
"747052"	1023.055258	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+K"	38.963158
"1552021"	366.993858	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+K"	38.963158
"311382"	348.015917	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+H+K"	39.970434
"701982"	512.031267	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+H+K"	39.970434
"1458719"	184.000567	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H+K"	39.970434
"250722"	698.095226	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+ACN+H"	42.033826
"1225604"	370.064526	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+ACN+H"	42.033826
"1209748"	185.535901	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+ACN+2H"	43.041102
"204077"	701.03256	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+2Na-H"	44.97116
"644134"	1029.06326	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+2Na-H"	44.97116
"1146041"	373.00186	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2Na-H"	44.97116
"184590"	351.019918	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+2Na"	45.978436
"625243"	515.035268	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+2Na"	45.978436
"1126941"	187.004568	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2Na"	45.978436
"1411194"	125.005470666667	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H+2Na"	46.985712
"1444043"	375.043446	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H+HCOOH"	47.012746
"233012"	356.05294	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+3H2O+2H"	56.04448
"1521801"	389.09549	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+IsoProp+H"	61.06479
"418577"	359.006888	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+Na+K"	61.952376
"782485"	523.022238	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+Na+K"	61.952376
"1678086"	194.991538	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Na+K"	61.952376
"263510"	720.077168	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+ACN+Na"	64.015768
"1239130"	392.046468	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+ACN+Na"	64.015768
"1727415"	392.069993	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+NH4+HCOOH"	64.039293
"1191559"	132.332784666667	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+3Na"	68.967654
"1664732"	397.025388	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Na+HCOOH"	68.994688
"171840"	732.98044	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+2K-H"	76.91904
"605689"	1061.01114	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+2K-H"	76.91904
"1087645"	404.94974	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2K-H"	76.91904
"146286"	366.993858	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"2M+2K"	77.926316
"586577"	531.009208	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"3M+2K"	77.926316
"1082025"	202.978508	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2K"	77.926316
"1111954"	406.964292	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2K+H"	78.933592
"1351130"	407.051907	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+DMSO+H"	79.021207
"1020649"	411.091076	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2ACN+H"	83.060376
"1539621"	412.084708	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+IsoProp+Na+H"	84.054008
"1005420"	206.049176	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+2ACN+2H"	84.067652
"1601774"	412.999328	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+K+HCOOH"	84.968628
"1423785"	443.030838	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+H+CF3COOH"	115.000138
"1160271"	226.562451	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+3ACN+2H"	125.094202
"1710917"	460.057385	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+NH4+CF3COOH"	132.026685
"1642557"	465.01278	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+Na+CF3COOH"	136.98208
"1583675"	480.98672	"C11064"	"Fluorodifen;Preforan"	"C13H7F3N2O5"	"328.0307"	"M+K+CF3COOH"	152.95602
"802011"	282.9803	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M"	0
"975906"	263.96191	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-H2O-H"	-19.01839
"67067"	187.646257333333	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M-3H"	-3.021828
"504440"	281.973024	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M-3H"	-3.021828
"880081"	93.3194906666667	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-3H"	-3.021828
"6285"	281.973024	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M-2H"	-2.014552
"455455"	423.463174	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M-2H"	-2.014552
"829121"	140.482874	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-2H"	-2.014552
"91299"	564.953324	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M-H"	-1.007276
"532804"	847.933624	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M-H"	-1.007276
"902099"	281.973024	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-H"	-1.007276
"54286"	581.979871	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M-2H+NH4"	16.019271
"500288"	864.960171	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M-2H+NH4"	16.019271
"876024"	298.999571	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-2H+NH4"	16.019271
"43930"	586.935266	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M-2H+Na"	20.974666
"483491"	869.915566	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M-2H+Na"	20.974666
"859105"	303.954966	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-2H+Na"	20.974666
"1626453"	303.954966	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Na-2H"	20.974666
"106262"	299.961363	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M-H+Cl"	33.962126
"541448"	441.451513	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M-H+Cl"	33.962126
"933870"	158.471213	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-H+Cl"	33.962126
"278993"	600.930002	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+Cl"	34.969402
"675473"	883.910302	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+Cl"	34.969402
"1287103"	317.949702	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Cl"	34.969402
"30267"	602.909206	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M-2H+K"	36.948606
"468855"	885.889506	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M-2H+K"	36.948606
"848074"	319.928906	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-2H+K"	36.948606
"1569783"	319.928906	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+K-2H"	36.948606
"956572"	327.978494	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-H+HCOOH"	44.998194
"373327"	610.958801	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+HCOOH-H"	44.998201
"357941"	624.974451	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+Hac-H"	59.013851
"1504955"	341.994151	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Hac-H"	59.013851
"969218"	349.960451	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-H+NaCOOH"	66.980151
"122498"	317.949702	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+2Cl"	69.938804
"564241"	459.439852	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+2Cl"	69.938804
"1035715"	176.459552	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2Cl"	69.938804
"1253717"	361.899185	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Br"	78.918885
"1318229"	363.955172	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Cl+HCOOH"	80.974872
"1335121"	385.937129	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Cl+NaCOOH"	102.956829
"925811"	395.965886	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M-H+CF3COOH"	112.985586
"1298144"	431.942564	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Cl+CF3COOH"	148.962264
"1377402"	247.967624	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H-2H2O"	-35.012676
"1391621"	265.9776	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H-H2O"	-17.0027
"293496"	566.967876	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+H"	1.007276
"687010"	849.948176	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+H"	1.007276
"1364089"	283.987576	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H"	1.007276
"130791"	283.987576	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+2H"	2.014552
"568166"	425.477726	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+2H"	2.014552
"1040246"	142.497426	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2H"	2.014552
"209241"	189.660809333333	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+3H"	3.021828
"652083"	283.987576	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+3H"	3.021828
"1169114"	95.3340426666667	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+3H"	3.021828
"434572"	583.994423	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+NH4"	18.033823
"793381"	866.974723	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+NH4"	18.033823
"1688620"	301.014123	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+NH4"	18.033823
"335805"	292.5008495	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+H+NH4"	19.041099
"731504"	433.9909995	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+H+NH4"	19.041099
"1486420"	151.0106995	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H+NH4"	19.041099
"398538"	588.949818	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+Na"	22.989218
"766093"	871.930118	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+Na"	22.989218
"1612002"	305.969518	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Na"	22.989218
"320946"	294.978547	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+H+Na"	23.996494
"715555"	436.468697	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+H+Na"	23.996494
"1471560"	153.488397	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H+Na"	23.996494
"1061539"	102.661356666667	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2H+Na"	25.00377
"1263217"	316.013786	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+CH3OH+H"	33.033486
"386167"	604.923758	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+K"	38.963158
"743881"	887.904058	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+K"	38.963158
"1550307"	321.943458	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+K"	38.963158
"305296"	302.965517	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+H+K"	39.970434
"696625"	444.455667	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+H+K"	39.970434
"1457006"	161.475367	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H+K"	39.970434
"244513"	607.994426	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+ACN+H"	42.033826
"1225531"	325.014126	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+ACN+H"	42.033826
"1209005"	163.010701	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+ACN+2H"	43.041102
"201994"	610.93176	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+2Na-H"	44.97116
"643256"	893.91206	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+2Na-H"	44.97116
"1146274"	327.95146	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2Na-H"	44.97116
"180326"	305.969518	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+2Na"	45.978436
"619885"	447.459668	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+2Na"	45.978436
"1128506"	164.479368	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2Na"	45.978436
"1412395"	109.988670666667	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H+2Na"	46.985712
"1442693"	329.993046	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H+HCOOH"	47.012746
"233850"	311.00254	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+3H2O+2H"	56.04448
"1521182"	344.04509	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+IsoProp+H"	61.06479
"418687"	313.956488	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+Na+K"	61.952376
"780407"	455.446638	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+Na+K"	61.952376
"1676738"	172.466338	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Na+K"	61.952376
"263254"	629.976368	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+ACN+Na"	64.015768
"1237781"	346.996068	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+ACN+Na"	64.015768
"1725581"	347.019593	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+NH4+HCOOH"	64.039293
"1190211"	117.315984666667	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+3Na"	68.967654
"1661560"	351.974988	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Na+HCOOH"	68.994688
"170611"	642.87964	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+2K-H"	76.91904
"602518"	925.85994	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+2K-H"	76.91904
"1085322"	359.89934	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2K-H"	76.91904
"145300"	321.943458	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"2M+2K"	77.926316
"584497"	463.433608	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"3M+2K"	77.926316
"1076667"	180.453308	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2K"	77.926316
"1108783"	361.913892	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2K+H"	78.933592
"1347355"	362.001507	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+DMSO+H"	79.021207
"1020259"	366.040676	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2ACN+H"	83.060376
"1538994"	367.034308	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+IsoProp+Na+H"	84.054008
"1003736"	183.523976	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+2ACN+2H"	84.067652
"1599329"	367.948928	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+K+HCOOH"	84.968628
"1423895"	397.980438	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+H+CF3COOH"	115.000138
"1157465"	204.037251	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+3ACN+2H"	125.094202
"1709205"	415.006985	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+NH4+CF3COOH"	132.026685
"1642667"	419.96238	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+Na+CF3COOH"	136.98208
"1583785"	435.93632	"C11065"	"Nitrofen"	"C12H7Cl2NO3"	"282.9803"	"M+K+CF3COOH"	152.95602
"805401"	340.9858	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M"	0
"977838"	321.96741	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-H2O-H"	-19.01839
"68270"	226.316590666667	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M-3H"	-3.021828
"505643"	339.978524	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M-3H"	-3.021828
"880565"	112.654657333333	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-3H"	-3.021828
"6395"	339.978524	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M-2H"	-2.014552
"455446"	510.471424	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M-2H"	-2.014552
"830325"	169.485624	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-2H"	-2.014552
"90316"	680.964324	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M-H"	-1.007276
"529876"	1021.950124	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M-H"	-1.007276
"903302"	339.978524	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-H"	-1.007276
"55489"	697.990871	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M-2H+NH4"	16.019271
"490675"	1038.976671	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M-2H+NH4"	16.019271
"867385"	357.005071	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-2H+NH4"	16.019271
"40758"	702.946266	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M-2H+Na"	20.974666
"485425"	1043.932066	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M-2H+Na"	20.974666
"859215"	361.960466	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-2H+Na"	20.974666
"1629843"	361.960466	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Na-2H"	20.974666
"105279"	357.966863	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M-H+Cl"	33.962126
"540466"	528.459763	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M-H+Cl"	33.962126
"932887"	187.473963	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-H+Cl"	33.962126
"280927"	716.941002	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+Cl"	34.969402
"675174"	1057.926802	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+Cl"	34.969402
"1287456"	375.955202	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Cl"	34.969402
"28675"	718.920206	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M-2H+K"	36.948606
"470300"	1059.906006	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M-2H+K"	36.948606
"848104"	377.934406	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-2H+K"	36.948606
"1568435"	377.934406	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+K-2H"	36.948606
"954131"	385.983994	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-H+HCOOH"	44.998194
"371980"	726.969801	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+HCOOH-H"	44.998201
"356594"	740.985451	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+Hac-H"	59.013851
"1503972"	399.999651	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Hac-H"	59.013851
"969327"	407.965951	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-H+NaCOOH"	66.980151
"122609"	375.955202	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+2Cl"	69.938804
"562167"	546.448102	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+2Cl"	69.938804
"1036068"	205.462302	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2Cl"	69.938804
"1251640"	419.904685	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Br"	78.918885
"1317367"	421.960672	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Cl+HCOOH"	80.974872
"1334500"	443.942629	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Cl+NaCOOH"	102.956829
"922642"	453.971386	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M-H+CF3COOH"	112.985586
"1299347"	489.948064	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Cl+CF3COOH"	148.962264
"1378607"	305.973124	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H-2H2O"	-35.012676
"1394649"	323.9831	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H-H2O"	-17.0027
"293610"	682.978876	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+H"	1.007276
"687121"	1023.964676	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+H"	1.007276
"1363835"	341.993076	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H"	1.007276
"131996"	341.993076	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+2H"	2.014552
"569370"	512.485976	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+2H"	2.014552
"1045461"	171.500176	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2H"	2.014552
"209353"	228.331142666667	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+3H"	3.021828
"652193"	341.993076	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+3H"	3.021828
"1167038"	114.669209333333	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+3H"	3.021828
"430310"	700.005423	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+NH4"	18.033823
"792400"	1040.991223	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+NH4"	18.033823
"1687638"	359.019623	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+NH4"	18.033823
"335916"	350.5063495	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+H+NH4"	19.041099
"731615"	520.9992495	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+H+NH4"	19.041099
"1483249"	180.0134495	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H+NH4"	19.041099
"398648"	704.960818	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+Na"	22.989218
"765110"	1045.946618	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+Na"	22.989218
"1611020"	363.975018	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Na"	22.989218
"324339"	352.984047	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+H+Na"	23.996494
"715665"	523.476947	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+H+Na"	23.996494
"1470577"	182.491147	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H+Na"	23.996494
"1062742"	121.996523333333	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2H+Na"	25.00377
"1267701"	374.019286	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+CH3OH+H"	33.033486
"385183"	720.934758	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+K"	38.963158
"748365"	1061.920558	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+K"	38.963158
"1552239"	379.948958	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+K"	38.963158
"306501"	360.971017	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+H+K"	39.970434
"697827"	531.463917	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+H+K"	39.970434
"1457117"	190.478117	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H+K"	39.970434
"246810"	724.005426	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+ACN+H"	42.033826
"1224380"	383.019626	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+ACN+H"	42.033826
"1209115"	192.013451	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+ACN+2H"	43.041102
"202104"	726.94276	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+2Na-H"	44.97116
"642392"	1067.92856	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+2Na-H"	44.97116
"1144800"	385.95696	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2Na-H"	44.97116
"183716"	363.975018	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+2Na"	45.978436
"619995"	534.467918	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+2Na"	45.978436
"1127888"	193.482118	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2Na"	45.978436
"1412020"	129.323837333333	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H+2Na"	46.985712
"1441709"	387.998546	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H+HCOOH"	47.012746
"235053"	369.00804	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+3H2O+2H"	56.04448
"1521293"	402.05059	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+IsoProp+H"	61.06479
"419523"	371.961988	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+Na+K"	61.952376
"780881"	542.454888	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+Na+K"	61.952376
"1675753"	201.469088	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Na+K"	61.952376
"261542"	745.987368	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+ACN+Na"	64.015768
"1237891"	405.001568	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+ACN+Na"	64.015768
"1724231"	405.025093	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+NH4+HCOOH"	64.039293
"1190685"	136.651151333333	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+3Na"	68.967654
"1660577"	409.980488	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Na+HCOOH"	68.994688
"168534"	758.89064	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+2K-H"	76.91904
"600440"	1099.87644	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+2K-H"	76.91904
"1086771"	417.90484	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2K-H"	76.91904
"143590"	379.948958	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"2M+2K"	77.926316
"584973"	550.441858	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"3M+2K"	77.926316
"1078964"	209.456058	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2K"	77.926316
"1106705"	419.919392	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2K+H"	78.933592
"1347465"	420.007007	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+DMSO+H"	79.021207
"1020247"	424.046176	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2ACN+H"	83.060376
"1536307"	425.039808	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+IsoProp+Na+H"	84.054008
"1002752"	212.526726	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+2ACN+2H"	84.067652
"1597252"	425.954428	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+K+HCOOH"	84.968628
"1424004"	455.985938	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+H+CF3COOH"	115.000138
"1158668"	233.040001	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+3ACN+2H"	125.094202
"1708221"	473.012485	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+NH4+CF3COOH"	132.026685
"1642777"	477.96788	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+Na+CF3COOH"	136.98208
"1583895"	493.94182	"C11066"	"Bifenox;MC-4379"	"C14H9Cl2NO5"	"340.9858"	"M+K+CF3COOH"	152.95602
"803323"	374.9468	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M"	0
"976854"	355.92841	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-H2O-H"	-19.01839
"65462"	248.957257333333	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M-3H"	-3.021828
"505753"	373.939524	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M-3H"	-3.021828
"881729"	123.974990666667	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-3H"	-3.021828
"6505"	373.939524	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M-2H"	-2.014552
"455069"	561.412924	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M-2H"	-2.014552
"830435"	186.466124	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-2H"	-2.014552
"90426"	748.886324	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M-H"	-1.007276
"529986"	1123.833124	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M-H"	-1.007276
"902319"	373.939524	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-H"	-1.007276
"54506"	765.912871	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M-2H+NH4"	16.019271
"489692"	1140.859671	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M-2H+NH4"	16.019271
"867495"	390.966071	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-2H+NH4"	16.019271
"40868"	770.868266	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M-2H+Na"	20.974666
"482619"	1145.815066	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M-2H+Na"	20.974666
"859325"	395.921466	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-2H+Na"	20.974666
"1623026"	395.921466	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Na-2H"	20.974666
"99919"	391.927863	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M-H+Cl"	33.962126
"540576"	579.401263	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M-H+Cl"	33.962126
"930078"	204.454463	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-H+Cl"	33.962126
"273744"	784.863002	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+Cl"	34.969402
"662884"	1159.809802	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+Cl"	34.969402
"1286107"	409.916202	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Cl"	34.969402
"27692"	786.842206	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M-2H+K"	36.948606
"468342"	1161.789006	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M-2H+K"	36.948606
"845051"	411.895406	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-2H+K"	36.948606
"1568911"	411.895406	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+K-2H"	36.948606
"956426"	419.944994	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-H+HCOOH"	44.998194
"373547"	794.891801	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+HCOOH-H"	44.998201
"358522"	808.907451	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+Hac-H"	59.013851
"1504082"	433.960651	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Hac-H"	59.013851
"968343"	441.926951	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-H+NaCOOH"	66.980151
"121624"	409.916202	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+2Cl"	69.938804
"562277"	597.389602	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+2Cl"	69.938804
"1035447"	222.442802	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2Cl"	69.938804
"1251750"	453.865685	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Br"	78.918885
"1318207"	455.921672	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Cl+HCOOH"	80.974872
"1333880"	477.903629	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Cl+NaCOOH"	102.956829
"923843"	487.932386	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M-H+CF3COOH"	112.985586
"1298363"	523.909064	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Cl+CF3COOH"	148.962264
"1377623"	339.934124	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H-2H2O"	-35.012676
"1394027"	357.9441	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H-H2O"	-17.0027
"294809"	750.900876	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+H"	1.007276
"687596"	1125.847676	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+H"	1.007276
"1365765"	375.954076	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H"	1.007276
"131744"	375.954076	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+2H"	2.014552
"570576"	563.427476	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+2H"	2.014552
"1044844"	188.480676	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2H"	2.014552
"211650"	250.971809333333	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+3H"	3.021828
"652303"	375.954076	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+3H"	3.021828
"1168242"	125.989542666667	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+3H"	3.021828
"427140"	767.927423	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+NH4"	18.033823
"788135"	1142.874223	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+NH4"	18.033823
"1682278"	392.980623	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+NH4"	18.033823
"333840"	384.4673495	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+H+NH4"	19.041099
"729540"	571.9407495	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+H+NH4"	19.041099
"1485545"	196.9939495	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H+NH4"	19.041099
"400942"	772.882818	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+Na"	22.989218
"761938"	1147.829618	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+Na"	22.989218
"1605664"	397.936018	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Na"	22.989218
"318980"	386.945047	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+H+Na"	23.996494
"710308"	574.418447	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+H+Na"	23.996494
"1465219"	199.471647	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H+Na"	23.996494
"1062854"	133.316856666667	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2H+Na"	25.00377
"1265626"	407.980286	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+CH3OH+H"	33.033486
"386386"	788.856758	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+K"	38.963158
"747017"	1163.803558	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+K"	38.963158
"1549799"	413.909958	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+K"	38.963158
"308068"	394.932017	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+H+K"	39.970434
"696843"	582.405417	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+H+K"	39.970434
"1456132"	207.458617	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H+K"	39.970434
"246555"	791.927426	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+ACN+H"	42.033826
"1217441"	416.980626	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+ACN+H"	42.033826
"1207887"	208.993951	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+ACN+2H"	43.041102
"196382"	794.86476	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+2Na-H"	44.97116
"639586"	1169.81156	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+2Na-H"	44.97116
"1141630"	419.91796	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2Na-H"	44.97116
"180546"	397.936018	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+2Na"	45.978436
"617552"	585.409418	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+2Na"	45.978436
"1128845"	210.462618	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2Na"	45.978436
"1411157"	140.644170666667	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H+2Na"	46.985712
"1441818"	421.959546	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H+HCOOH"	47.012746
"234068"	402.96904	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+3H2O+2H"	56.04448
"1520671"	436.01159	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+IsoProp+H"	61.06479
"421819"	405.922988	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+Na+K"	61.952376
"780991"	593.396388	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+Na+K"	61.952376
"1675133"	218.449588	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Na+K"	61.952376
"262016"	813.909368	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+ACN+Na"	64.015768
"1238001"	438.962568	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+ACN+Na"	64.015768
"1722154"	438.986093	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+NH4+HCOOH"	64.039293
"1192253"	147.971484666667	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+3Na"	68.967654
"1663966"	443.941488	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Na+HCOOH"	68.994688
"168644"	826.81264	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+2K-H"	76.91904
"608205"	1201.75944	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+2K-H"	76.91904
"1098912"	451.86584	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2K-H"	76.91904
"144431"	413.909958	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"2M+2K"	77.926316
"586906"	601.383358	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"3M+2K"	77.926316
"1079074"	226.436558	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2K"	77.926316
"1107909"	453.880392	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2K+H"	78.933592
"1346481"	453.968007	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+DMSO+H"	79.021207
"1019385"	458.007176	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2ACN+H"	83.060376
"1536417"	459.000808	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+IsoProp+Na+H"	84.054008
"1003955"	229.507226	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+2ACN+2H"	84.067652
"1598455"	459.915428	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+K+HCOOH"	84.968628
"1421928"	489.946938	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+H+CF3COOH"	115.000138
"1158778"	250.020501	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+3ACN+2H"	125.094202
"1708331"	506.973485	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+NH4+CF3COOH"	132.026685
"1642887"	511.92888	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+Na+CF3COOH"	136.98208
"1584005"	527.90282	"C11067"	"MC-3761"	"C14H8Cl3NO5"	"374.9468"	"M+K+CF3COOH"	152.95602
"804528"	355.0014	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M"	0
"976966"	335.98301	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-H2O-H"	-19.01839
"65208"	235.660324	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M-3H"	-3.021828
"505863"	353.994124	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M-3H"	-3.021828
"880503"	117.326524	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-3H"	-3.021828
"6615"	353.994124	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M-2H"	-2.014552
"451651"	531.494824	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M-2H"	-2.014552
"825076"	176.493424	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-2H"	-2.014552
"87254"	708.995524	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M-H"	-1.007276
"527908"	1063.996924	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M-H"	-1.007276
"905709"	353.994124	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-H"	-1.007276
"54616"	726.022071	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M-2H+NH4"	16.019271
"489072"	1081.023471	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M-2H+NH4"	16.019271
"870885"	371.020671	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-2H+NH4"	16.019271
"40978"	730.977466	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M-2H+Na"	20.974666
"481632"	1085.978866	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M-2H+Na"	20.974666
"851779"	375.976066	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-2H+Na"	20.974666
"1623500"	375.976066	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Na-2H"	20.974666
"100029"	371.982463	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M-H+Cl"	33.962126
"540686"	549.483163	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M-H+Cl"	33.962126
"931283"	194.481763	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-H+Cl"	33.962126
"271667"	744.972202	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+Cl"	34.969402
"661045"	1099.973602	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+Cl"	34.969402
"1287069"	389.970802	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Cl"	34.969402
"28896"	746.951406	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M-2H+K"	36.948606
"469546"	1101.952806	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M-2H+K"	36.948606
"846620"	391.950006	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-2H+K"	36.948606
"1567563"	391.950006	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+K-2H"	36.948606
"956536"	399.999594	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-H+HCOOH"	44.998194
"372563"	755.001001	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+HCOOH-H"	44.998201
"356446"	769.016651	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+Hac-H"	59.013851
"1506015"	414.015251	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Hac-H"	59.013851
"968453"	421.981551	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-H+NaCOOH"	66.980151
"121735"	389.970802	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+2Cl"	69.938804
"561294"	567.471502	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+2Cl"	69.938804
"1034464"	212.470102	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2Cl"	69.938804
"1254047"	433.920285	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Br"	78.918885
"1318315"	435.976272	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Cl+HCOOH"	80.974872
"1330707"	457.958229	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Cl+NaCOOH"	102.956829
"925777"	467.986986	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M-H+CF3COOH"	112.985586
"1296287"	503.963664	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Cl+CF3COOH"	148.962264
"1376640"	319.988724	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H-2H2O"	-35.012676
"1393045"	337.9987	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H-H2O"	-17.0027
"296012"	711.010076	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+H"	1.007276
"689165"	1066.011476	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+H"	1.007276
"1364782"	356.008676	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H"	1.007276
"134041"	356.008676	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+2H"	2.014552
"573602"	533.509376	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+2H"	2.014552
"1046048"	178.507976	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2H"	2.014552
"213583"	237.674876	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+3H"	3.021828
"651320"	356.008676	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+3H"	3.021828
"1169445"	119.341076	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+3H"	3.021828
"428344"	728.036623	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+NH4"	18.033823
"786422"	1083.038023	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+NH4"	18.033823
"1682022"	373.035223	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+NH4"	18.033823
"335042"	364.5219495	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+H+NH4"	19.041099
"729649"	542.0226495	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+H+NH4"	19.041099
"1483467"	187.0212495	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H+NH4"	19.041099
"402146"	732.992018	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+Na"	22.989218
"763142"	1087.993418	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+Na"	22.989218
"1613426"	377.990618	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Na"	22.989218
"322369"	366.999647	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+H+Na"	23.996494
"716978"	544.500347	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+H+Na"	23.996494
"1466423"	189.498947	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H+Na"	23.996494
"1064056"	126.66839	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2H+Na"	25.00377
"1267921"	388.034886	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+CH3OH+H"	33.033486
"387225"	748.965958	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+K"	38.963158
"747489"	1103.967358	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+K"	38.963158
"1548449"	393.964558	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+K"	38.963158
"306718"	374.986617	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+H+K"	39.970434
"696953"	552.487317	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+H+K"	39.970434
"1452961"	197.485917	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H+K"	39.970434
"245935"	752.036626	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+ACN+H"	42.033826
"1219738"	397.035226	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+ACN+H"	42.033826
"1203621"	199.021251	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+ACN+2H"	43.041102
"200862"	754.97396	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+2Na-H"	44.97116
"641515"	1109.97536	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+2Na-H"	44.97116
"1141740"	399.97256	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2Na-H"	44.97116
"179562"	377.990618	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+2Na"	45.978436
"615475"	555.491318	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+2Na"	45.978436
"1129077"	200.489918	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2Na"	45.978436
"1409441"	133.995704	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H+2Na"	46.985712
"1440468"	402.014146	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H+HCOOH"	47.012746
"231254"	383.02364	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+3H2O+2H"	56.04448
"1519323"	416.06619	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+IsoProp+H"	61.06479
"420107"	385.977588	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+Na+K"	61.952376
"781101"	563.478288	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+Na+K"	61.952376
"1675243"	208.476888	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Na+K"	61.952376
"263219"	774.018568	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+ACN+Na"	64.015768
"1237018"	419.017168	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+ACN+Na"	64.015768
"1721168"	419.040693	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+NH4+HCOOH"	64.039293
"1188707"	141.323018	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+3Na"	68.967654
"1659696"	423.996088	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Na+HCOOH"	68.994688
"169845"	786.92184	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+2K-H"	76.91904
"609408"	1141.92324	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+2K-H"	76.91904
"1097199"	431.92044	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2K-H"	76.91904
"146363"	393.964558	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"2M+2K"	77.926316
"587016"	571.465258	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"3M+2K"	77.926316
"1075902"	216.463858	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2K"	77.926316
"1113245"	433.934992	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2K+H"	78.933592
"1346590"	434.022607	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+DMSO+H"	79.021207
"1018400"	438.061776	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2ACN+H"	83.060376
"1537254"	439.055408	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+IsoProp+Na+H"	84.054008
"1002970"	219.534526	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+2ACN+2H"	84.067652
"1598565"	439.970028	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+K+HCOOH"	84.968628
"1422038"	470.001538	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+H+CF3COOH"	115.000138
"1157794"	240.047801	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+3ACN+2H"	125.094202
"1708439"	487.028085	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+NH4+CF3COOH"	132.026685
"1642997"	491.98348	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+Na+CF3COOH"	136.98208
"1584115"	507.95742	"C11068"	"MC-5127"	"C15H11Cl2NO5"	"355.0014"	"M+K+CF3COOH"	152.95602
"804638"	325.0153	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M"	0
"975983"	305.99691	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-H2O-H"	-19.01839
"64225"	215.669590666667	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M-3H"	-3.021828
"505973"	324.008024	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M-3H"	-3.021828
"880613"	107.331157333333	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-3H"	-3.021828
"6725"	324.008024	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M-2H"	-2.014552
"451762"	486.515674	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M-2H"	-2.014552
"824093"	161.500374	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-2H"	-2.014552
"87364"	649.023324	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M-H"	-1.007276
"528018"	974.038624	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M-H"	-1.007276
"902539"	324.008024	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-H"	-1.007276
"51445"	666.049871	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M-2H+NH4"	16.019271
"492099"	991.065171	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M-2H+NH4"	16.019271
"870995"	341.034571	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-2H+NH4"	16.019271
"41088"	671.005266	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M-2H+Na"	20.974666
"480649"	996.020566	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M-2H+Na"	20.974666
"852253"	345.989966	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-2H+Na"	20.974666
"1623610"	345.989966	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Na-2H"	20.974666
"99411"	341.996363	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M-H+Cl"	33.962126
"544076"	504.504013	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M-H+Cl"	33.962126
"937589"	179.488713	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-H+Cl"	33.962126
"275058"	685.000002	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+Cl"	34.969402
"665290"	1010.015302	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+Cl"	34.969402
"1286692"	359.984702	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Cl"	34.969402
"29370"	686.979206	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M-2H+K"	36.948606
"469292"	1011.994506	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M-2H+K"	36.948606
"844176"	361.963906	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-2H+K"	36.948606
"1570590"	361.963906	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+K-2H"	36.948606
"955551"	370.013494	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-H+HCOOH"	44.998194
"372672"	695.028801	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+HCOOH-H"	44.998201
"352181"	709.044451	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+Hac-H"	59.013851
"1507462"	384.029151	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Hac-H"	59.013851
"970750"	391.995451	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-H+NaCOOH"	66.980151
"125004"	359.984702	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+2Cl"	69.938804
"562497"	522.492352	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+2Cl"	69.938804
"1032388"	197.477052	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2Cl"	69.938804
"1254157"	403.934185	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Br"	78.918885
"1318427"	405.990172	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Cl+HCOOH"	80.974872
"1333733"	427.972129	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Cl+NaCOOH"	102.956829
"924063"	438.000886	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M-H+CF3COOH"	112.985586
"1296397"	473.977564	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Cl+CF3COOH"	148.962264
"1377845"	290.002624	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H-2H2O"	-35.012676
"1395342"	308.0126	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H-H2O"	-17.0027
"295760"	651.037876	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+H"	1.007276
"688544"	976.053176	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+H"	1.007276
"1363435"	326.022576	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H"	1.007276
"136338"	326.022576	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+2H"	2.014552
"578449"	488.530226	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+2H"	2.014552
"1048343"	163.514926	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2H"	2.014552
"216977"	217.684142666667	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+3H"	3.021828
"650339"	326.022576	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+3H"	3.021828
"1169557"	109.345709333333	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+3H"	3.021828
"426388"	668.064423	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+NH4"	18.033823
"789449"	993.079723	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+NH4"	18.033823
"1684688"	343.049123	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+NH4"	18.033823
"334061"	334.5358495	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+H+NH4"	19.041099
"728667"	497.0434995	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+H+NH4"	19.041099
"1484674"	172.0281995	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H+NH4"	19.041099
"403352"	673.019818	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+Na"	22.989218
"766169"	998.035118	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+Na"	22.989218
"1612444"	348.004518	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Na"	22.989218
"322481"	337.013547	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+H+Na"	23.996494
"715996"	499.521197	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+H+Na"	23.996494
"1467628"	174.505897	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H+Na"	23.996494
"1065991"	116.673023333333	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2H+Na"	25.00377
"1268762"	358.048786	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+CH3OH+H"	33.033486
"389158"	688.993758	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+K"	38.963158
"750153"	1014.009058	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+K"	38.963158
"1551839"	363.978458	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+K"	38.963158
"311567"	345.000517	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+H+K"	39.970434
"701436"	507.508167	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+H+K"	39.970434
"1455257"	182.492867	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H+K"	39.970434
"246046"	692.064426	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+ACN+H"	42.033826
"1219848"	367.049126	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+ACN+H"	42.033826
"1205918"	184.028201	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+ACN+2H"	43.041102
"200974"	695.00176	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+2Na-H"	44.97116
"641624"	1020.01706	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+2Na-H"	44.97116
"1140756"	369.98646	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2Na-H"	44.97116
"178579"	348.004518	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+2Na"	45.978436
"614127"	510.512168	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+2Na"	45.978436
"1128942"	185.496868	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2Na"	45.978436
"1409549"	124.000337333333	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H+2Na"	46.985712
"1437296"	372.028046	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H+HCOOH"	47.012746
"228084"	353.03754	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+3H2O+2H"	56.04448
"1519432"	386.08009	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+IsoProp+H"	61.06479
"422404"	355.991488	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+Na+K"	61.952376
"782668"	518.499138	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+Na+K"	61.952376
"1679725"	193.483838	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Na+K"	61.952376
"265150"	714.046368	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+ACN+Na"	64.015768
"1238221"	389.031068	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+ACN+Na"	64.015768
"1722371"	389.054593	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+NH4+HCOOH"	64.039293
"1188817"	131.327651333333	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+3Na"	68.967654
"1663085"	394.009988	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Na+HCOOH"	68.994688
"172592"	726.94964	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+2K-H"	76.91904
"611583"	1051.96494	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+2K-H"	76.91904
"1099499"	401.93434	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2K-H"	76.91904
"149755"	363.978458	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"2M+2K"	77.926316
"593686"	526.486108	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"3M+2K"	77.926316
"1078197"	201.470808	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2K"	77.926316
"1113476"	403.948892	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2K+H"	78.933592
"1345605"	404.036507	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+DMSO+H"	79.021207
"1020212"	408.075676	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2ACN+H"	83.060376
"1539311"	409.069308	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+IsoProp+Na+H"	84.054008
"1003080"	204.541476	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+2ACN+2H"	84.067652
"1597582"	409.983928	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+K+HCOOH"	84.968628
"1422148"	440.015438	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+H+CF3COOH"	115.000138
"1157904"	225.054751	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+3ACN+2H"	125.094202
"1705269"	457.041985	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+NH4+CF3COOH"	132.026685
"1643107"	461.99738	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+Na+CF3COOH"	136.98208
"1584225"	477.97132	"C11069"	"MC-6063"	"C14H9ClFNO5"	"325.0153"	"M+K+CF3COOH"	152.95602
"811309"	358.9764	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M"	0
"981561"	339.95801	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-H2O-H"	-19.01839
"67617"	238.310324	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M-3H"	-3.021828
"508269"	357.969124	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M-3H"	-3.021828
"886070"	118.651524	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-3H"	-3.021828
"10115"	357.969124	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M-2H"	-2.014552
"448581"	537.457324	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M-2H"	-2.014552
"831488"	178.480924	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-2H"	-2.014552
"92945"	716.945524	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M-H"	-1.007276
"530316"	1075.921924	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M-H"	-1.007276
"908118"	357.969124	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-H"	-1.007276
"58117"	733.972071	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M-2H+NH4"	16.019271
"501082"	1092.948471	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M-2H+NH4"	16.019271
"876575"	374.995671	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-2H+NH4"	16.019271
"43386"	738.927466	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M-2H+Na"	20.974666
"481853"	1097.903866	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M-2H+Na"	20.974666
"853457"	379.951066	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-2H+Na"	20.974666
"1619584"	379.951066	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Na-2H"	20.974666
"95508"	375.957463	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M-H+Cl"	33.962126
"540904"	555.445663	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M-H+Cl"	33.962126
"934419"	196.469263	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-H+Cl"	33.962126
"279543"	752.922202	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+Cl"	34.969402
"668682"	1111.898602	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+Cl"	34.969402
"1285100"	393.945802	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Cl"	34.969402
"29111"	754.901406	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M-2H+K"	36.948606
"469767"	1113.877806	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M-2H+K"	36.948606
"844286"	395.925006	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-2H+K"	36.948606
"1566680"	395.925006	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+K-2H"	36.948606
"955292"	403.974594	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-H+HCOOH"	44.998194
"372782"	762.951001	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+HCOOH-H"	44.998201
"351561"	776.966651	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+Hac-H"	59.013851
"1508180"	417.990251	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Hac-H"	59.013851
"970860"	425.956551	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-H+NaCOOH"	66.980151
"125241"	393.945802	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+2Cl"	69.938804
"565485"	573.434002	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+2Cl"	69.938804
"1037016"	214.457602	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2Cl"	69.938804
"1256455"	437.895285	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Br"	78.918885
"1319715"	439.951272	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Cl+HCOOH"	80.974872
"1335181"	461.933229	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Cl+NaCOOH"	102.956829
"925997"	471.961986	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M-H+CF3COOH"	112.985586
"1299787"	507.938664	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Cl+CF3COOH"	148.962264
"1379048"	323.963724	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H-2H2O"	-35.012676
"1395452"	341.9737	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H-H2O"	-17.0027
"296234"	718.960076	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+H"	1.007276
"689019"	1077.936476	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+H"	1.007276
"1363546"	359.983676	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H"	1.007276
"135719"	359.983676	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+2H"	2.014552
"576374"	539.471876	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+2H"	2.014552
"1050640"	180.495476	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2H"	2.014552
"216722"	240.324876	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+3H"	3.021828
"650449"	359.983676	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+3H"	3.021828
"1166387"	120.666076	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+3H"	3.021828
"425527"	735.986623	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+NH4"	18.033823
"786523"	1094.963023	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+NH4"	18.033823
"1684799"	377.010223	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+NH4"	18.033823
"333078"	368.4969495	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+H+NH4"	19.041099
"726590"	547.9851495	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+H+NH4"	19.041099
"1485877"	189.0087495	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H+NH4"	19.041099
"401279"	740.942018	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+Na"	22.989218
"764459"	1099.918418	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+Na"	22.989218
"1616930"	381.965618	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Na"	22.989218
"324777"	370.974647	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+H+Na"	23.996494
"717200"	550.462847	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+H+Na"	23.996494
"1470654"	191.486447	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H+Na"	23.996494
"1064278"	127.99339	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2H+Na"	25.00377
"1267050"	392.009886	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+CH3OH+H"	33.033486
"391820"	756.915958	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+K"	38.963158
"752450"	1115.892358	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+K"	38.963158
"1553409"	397.939558	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+K"	38.963158
"308033"	378.961617	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+H+K"	39.970434
"704465"	558.449817	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+H+K"	39.970434
"1457555"	199.473417	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H+K"	39.970434
"247249"	759.986626	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+ACN+H"	42.033826
"1222145"	401.010226	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+ACN+H"	42.033826
"1206028"	201.008751	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+ACN+2H"	43.041102
"202176"	762.92396	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+2Na-H"	44.97116
"641734"	1121.90036	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+2Na-H"	44.97116
"1139773"	403.94756	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2Na-H"	44.97116
"179053"	381.965618	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+2Na"	45.978436
"617882"	561.453818	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+2Na"	45.978436
"1130145"	202.477418	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2Na"	45.978436
"1413917"	135.320704	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H+2Na"	46.985712
"1437404"	405.989146	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H+HCOOH"	47.012746
"224913"	386.99864	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+3H2O+2H"	56.04448
"1520635"	420.04119	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+IsoProp+H"	61.06479
"418132"	389.952588	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+Na+K"	61.952376
"782413"	569.440788	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+Na+K"	61.952376
"1676554"	210.464388	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Na+K"	61.952376
"265259"	781.968568	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+ACN+Na"	64.015768
"1237966"	422.992168	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+ACN+Na"	64.015768
"1724666"	423.015693	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+NH4+HCOOH"	64.039293
"1188927"	142.648018	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+3Na"	68.967654
"1661735"	427.971088	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Na+HCOOH"	68.994688
"171282"	794.87184	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+2K-H"	76.91904
"610964"	1153.84824	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+2K-H"	76.91904
"1098388"	435.89544	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2K-H"	76.91904
"156432"	397.939558	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"2M+2K"	77.926316
"591609"	577.427758	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"3M+2K"	77.926316
"1083779"	218.451358	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2K"	77.926316
"1111519"	437.909992	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2K+H"	78.933592
"1344625"	437.997607	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+DMSO+H"	79.021207
"1018622"	442.036776	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2ACN+H"	83.060376
"1535653"	443.030408	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+IsoProp+Na+H"	84.054008
"1003193"	221.522026	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+2ACN+2H"	84.067652
"1599879"	443.945028	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+K+HCOOH"	84.968628
"1423351"	473.976538	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+H+CF3COOH"	115.000138
"1159107"	242.035301	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+3ACN+2H"	125.094202
"1709753"	491.003085	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+NH4+CF3COOH"	132.026685
"1643217"	495.95848	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+Na+CF3COOH"	136.98208
"1584335"	511.93242	"C11070"	"MC-7181"	"C14H8Cl2FNO5"	"358.9764"	"M+K+CF3COOH"	152.95602
"804858"	208.1212	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M"	0
"975110"	189.10281	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-H2O-H"	-19.01839
"63119"	137.740190666667	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M-3H"	-3.021828
"504368"	207.113924	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M-3H"	-3.021828
"882898"	68.3664573333333	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-3H"	-3.021828
"10225"	207.113924	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M-2H"	-2.014552
"448691"	311.174524	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M-2H"	-2.014552
"824308"	103.053324	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-2H"	-2.014552
"85394"	415.235124	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M-H"	-1.007276
"531518"	623.356324	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M-H"	-1.007276
"907135"	207.113924	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-H"	-1.007276
"57134"	432.261671	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M-2H+NH4"	16.019271
"500828"	640.382871	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M-2H+NH4"	16.019271
"876684"	224.140471	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-2H+NH4"	16.019271
"41310"	437.217066	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M-2H+Na"	20.974666
"480871"	645.338266	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M-2H+Na"	20.974666
"853567"	229.095866	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-2H+Na"	20.974666
"1618499"	229.095866	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Na-2H"	20.974666
"94434"	225.102263	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M-H+Cl"	33.962126
"539921"	329.162863	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M-H+Cl"	33.962126
"934529"	121.041663	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-H+Cl"	33.962126
"277466"	451.211802	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+Cl"	34.969402
"668792"	659.333002	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+Cl"	34.969402
"1284481"	243.090602	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Cl"	34.969402
"27035"	453.191006	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M-2H+K"	36.948606
"469149"	661.312206	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M-2H+K"	36.948606
"844396"	245.069806	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-2H+K"	36.948606
"1566790"	245.069806	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+K-2H"	36.948606
"955402"	253.119394	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-H+HCOOH"	44.998194
"372892"	461.240601	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+HCOOH-H"	44.998201
"351671"	475.256251	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+Hac-H"	59.013851
"1502334"	267.135051	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Hac-H"	59.013851
"972063"	275.101351	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-H+NaCOOH"	66.980151
"125305"	243.090602	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+2Cl"	69.938804
"562717"	347.151202	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+2Cl"	69.938804
"1035890"	139.030002	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2Cl"	69.938804
"1256973"	287.040085	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Br"	78.918885
"1319010"	289.096072	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Cl+HCOOH"	80.974872
"1334317"	311.078029	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Cl+NaCOOH"	102.956829
"925013"	321.106786	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M-H+CF3COOH"	112.985586
"1299897"	357.083464	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Cl+CF3COOH"	148.962264
"1378064"	173.108524	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H-2H2O"	-35.012676
"1393374"	191.1185	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H-H2O"	-17.0027
"291966"	417.249676	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+H"	1.007276
"683293"	625.370876	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+H"	1.007276
"1359643"	209.128476	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H"	1.007276
"135464"	209.128476	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+2H"	2.014552
"576483"	313.189076	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+2H"	2.014552
"1050386"	105.067876	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2H"	2.014552
"216467"	139.754742666667	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+3H"	3.021828
"656391"	209.128476	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+3H"	3.021828
"1169778"	70.3810093333333	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+3H"	3.021828
"430864"	434.276223	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+NH4"	18.033823
"786267"	642.397423	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+NH4"	18.033823
"1687096"	226.155023	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+NH4"	18.033823
"331122"	217.6417495	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+H+NH4"	19.041099
"727794"	321.7023495	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+H+NH4"	19.041099
"1485989"	113.5811495	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H+NH4"	19.041099
"401390"	439.231618	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+Na"	22.989218
"766754"	647.352818	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+Na"	22.989218
"1614854"	231.110418	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Na"	22.989218
"324887"	220.119447	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+H+Na"	23.996494
"717310"	324.180047	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+H+Na"	23.996494
"1468942"	116.058847	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H+Na"	23.996494
"1064388"	77.7083233333333	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2H+Na"	25.00377
"1267158"	241.154686	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+CH3OH+H"	33.033486
"390836"	455.205558	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+K"	38.963158
"750009"	663.326758	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+K"	38.963158
"1553154"	247.084358	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+K"	38.963158
"304863"	228.106417	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+H+K"	39.970434
"701659"	332.167017	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+H+K"	39.970434
"1452198"	124.045817	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H+K"	39.970434
"244077"	458.276226	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+ACN+H"	42.033826
"1221161"	250.155026	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+ACN+H"	42.033826
"1207231"	125.581151	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+ACN+2H"	43.041102
"200100"	461.21356	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+2Na-H"	44.97116
"641844"	669.33476	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+2Na-H"	44.97116
"1142069"	253.09236	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2Na-H"	44.97116
"178070"	231.110418	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+2Na"	45.978436
"615805"	335.171018	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+2Na"	45.978436
"1129161"	127.049818	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2Na"	45.978436
"1409769"	85.0356373333333	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H+2Na"	46.985712
"1437514"	255.133946	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H+HCOOH"	47.012746
"225023"	236.14344	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+3H2O+2H"	56.04448
"1519648"	269.18599	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+IsoProp+H"	61.06479
"413868"	239.097388	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+Na+K"	61.952376
"777051"	343.157988	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+Na+K"	61.952376
"1677757"	135.036788	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Na+K"	61.952376
"262089"	480.258168	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+ACN+Na"	64.015768
"1238077"	272.136968	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+ACN+Na"	64.015768
"1724776"	272.160493	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+NH4+HCOOH"	64.039293
"1186850"	92.3629513333333	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+3Na"	68.967654
"1657836"	277.115888	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Na+HCOOH"	68.994688
"172121"	493.16144	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+2K-H"	76.91904
"612618"	701.28264	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+2K-H"	76.91904
"1098619"	285.04024	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2K-H"	76.91904
"155435"	247.084358	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"2M+2K"	77.926316
"590626"	351.144958	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"3M+2K"	77.926316
"1083401"	143.023758	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2K"	77.926316
"1113694"	287.054792	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2K+H"	78.933592
"1351245"	287.142407	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+DMSO+H"	79.021207
"1017638"	291.181576	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2ACN+H"	83.060376
"1534671"	292.175208	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+IsoProp+Na+H"	84.054008
"1004641"	146.094426	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+2ACN+2H"	84.067652
"1599988"	293.089828	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+K+HCOOH"	84.968628
"1424554"	323.121338	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+H+CF3COOH"	115.000138
"1158124"	166.607701	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+3ACN+2H"	125.094202
"1712050"	340.147885	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+NH4+CF3COOH"	132.026685
"1643327"	345.10328	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+Na+CF3COOH"	136.98208
"1584445"	361.07722	"C11071"	"Aminocarb;Matacil"	"C11H16N2O2"	"208.1212"	"M+K+CF3COOH"	152.95602
"804968"	146.0402	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M"	0
"981781"	127.02181	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-H2O-H"	-19.01839
"63580"	96.3528573333333	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M-3H"	-3.021828
"504477"	145.032924	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M-3H"	-3.021828
"881914"	47.6727906666667	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-3H"	-3.021828
"10335"	145.032924	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M-2H"	-2.014552
"448801"	218.053024	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M-2H"	-2.014552
"825511"	72.012824	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-2H"	-2.014552
"86597"	291.073124	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M-H"	-1.007276
"530415"	437.113324	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M-H"	-1.007276
"907245"	145.032924	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-H"	-1.007276
"57244"	308.099671	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M-2H+NH4"	16.019271
"499722"	454.139871	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M-2H+NH4"	16.019271
"872420"	162.059471	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-2H+NH4"	16.019271
"43606"	313.055066	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M-2H+Na"	20.974666
"480981"	459.095266	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M-2H+Na"	20.974666
"852947"	167.014866	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-2H+Na"	20.974666
"1618955"	167.014866	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Na-2H"	20.974666
"95359"	163.021263	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M-H+Cl"	33.962126
"536019"	236.041363	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M-H+Cl"	33.962126
"932452"	90.001163	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-H+Cl"	33.962126
"269919"	327.049802	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+Cl"	34.969402
"664526"	473.090002	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+Cl"	34.969402
"1275836"	181.009602	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Cl"	34.969402
"16570"	329.029006	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M-2H+K"	36.948606
"456371"	475.069206	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M-2H+K"	36.948606
"833122"	182.988806	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-2H+K"	36.948606
"1564712"	182.988806	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+K-2H"	36.948606
"952595"	191.038394	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-H+HCOOH"	44.998194
"373002"	337.078601	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+HCOOH-H"	44.998201
"351781"	351.094251	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+Hac-H"	59.013851
"1504630"	205.054051	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Hac-H"	59.013851
"969986"	213.020351	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-H+NaCOOH"	66.980151
"118893"	181.009602	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+2Cl"	69.938804
"561734"	254.029702	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+2Cl"	69.938804
"1035636"	107.989502	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2Cl"	69.938804
"1255580"	224.959085	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Br"	78.918885
"1316933"	227.015072	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Cl+HCOOH"	80.974872
"1331147"	248.997029	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Cl+NaCOOH"	102.956829
"921112"	259.025786	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M-H+CF3COOH"	112.985586
"1293447"	295.002464	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Cl+CF3COOH"	148.962264
"1378903"	111.027524	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H-2H2O"	-35.012676
"1393484"	129.0375	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H-H2O"	-17.0027
"290983"	293.087676	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+H"	1.007276
"682310"	439.127876	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+H"	1.007276
"1358659"	147.047476	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H"	1.007276
"132655"	147.047476	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+2H"	2.014552
"578415"	220.067576	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+2H"	2.014552
"1048673"	74.027376	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2H"	2.014552
"214390"	98.3674093333333	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+3H"	3.021828
"656136"	147.047476	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+3H"	3.021828
"1173168"	49.6873426666667	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+3H"	3.021828
"434255"	310.114223	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+NH4"	18.033823
"797436"	456.154423	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+NH4"	18.033823
"1690485"	164.074023	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+NH4"	18.033823
"333297"	155.5607495	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+H+NH4"	19.041099
"727906"	228.5808495	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+H+NH4"	19.041099
"1482817"	82.5406495	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H+NH4"	19.041099
"401496"	315.069618	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+Na"	22.989218
"764680"	461.109818	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+Na"	22.989218
"1615692"	169.029418	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Na"	22.989218
"325363"	158.038447	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+H+Na"	23.996494
"717420"	231.058547	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+H+Na"	23.996494
"1469052"	85.018347	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H+Na"	23.996494
"1061218"	57.0146566666667	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2H+Na"	25.00377
"1267269"	179.073686	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+CH3OH+H"	33.033486
"386937"	331.043558	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+K"	38.963158
"744651"	477.083758	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+K"	38.963158
"1549983"	185.003358	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+K"	38.963158
"306067"	166.025417	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+H+K"	39.970434
"701768"	239.045517	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+H+K"	39.970434
"1454495"	93.005317	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H+K"	39.970434
"244187"	334.114226	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+ACN+H"	42.033826
"1217991"	188.074026	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+ACN+H"	42.033826
"1204061"	94.540651	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+ACN+2H"	43.041102
"199846"	337.05156	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+2Na-H"	44.97116
"638674"	483.09176	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+2Na-H"	44.97116
"1142179"	191.01136	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2Na-H"	44.97116
"178909"	169.029418	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+2Na"	45.978436
"615915"	242.049518	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+2Na"	45.978436
"1126356"	96.009318	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2Na"	45.978436
"1410609"	64.3419706666667	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H+2Na"	46.985712
"1437260"	193.052946	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H+HCOOH"	47.012746
"227318"	174.06244	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+3H2O+2H"	56.04448
"1516478"	207.10499	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+IsoProp+H"	61.06479
"416164"	177.016388	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+Na+K"	61.952376
"776065"	250.036488	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+Na+K"	61.952376
"1673492"	103.996288	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Na+K"	61.952376
"260012"	356.096168	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+ACN+Na"	64.015768
"1235635"	210.055968	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+ACN+Na"	64.015768
"1723428"	210.079493	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+NH4+HCOOH"	64.039293
"1187689"	71.6692846666667	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+3Na"	68.967654
"1657946"	215.034888	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Na+HCOOH"	68.994688
"171377"	368.99944	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+2K-H"	76.91904
"609843"	515.03964	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+2K-H"	76.91904
"1098608"	222.95924	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2K-H"	76.91904
"155424"	185.003358	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"2M+2K"	77.926316
"594016"	258.023458	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"3M+2K"	77.926316
"1083268"	111.983258	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2K"	77.926316
"1114655"	224.973792	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2K+H"	78.933592
"1351165"	225.061407	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+DMSO+H"	79.021207
"1018841"	229.100576	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2ACN+H"	83.060376
"1537940"	230.094208	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+IsoProp+Na+H"	84.054008
"1004506"	115.053926	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+2ACN+2H"	84.067652
"1600098"	231.008828	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+K+HCOOH"	84.968628
"1425757"	261.040338	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+H+CF3COOH"	115.000138
"1157139"	135.567201	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+3ACN+2H"	125.094202
"1712570"	278.066885	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+NH4+CF3COOH"	132.026685
"1643437"	283.02228	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+Na+CF3COOH"	136.98208
"1584555"	298.99622	"C11072"	"THTA;2-Tetrahydrothiopheneacetic acid"	"C6H10O2S"	"146.0402"	"M+K+CF3COOH"	152.95602
"805078"	410.1875	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M"	0
"977516"	391.16911	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-H2O-H"	-19.01839
"63811"	272.451057333333	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M-3H"	-3.021828
"504588"	409.180224	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M-3H"	-3.021828
"882025"	135.721890666667	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-3H"	-3.021828
"9352"	409.180224	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M-2H"	-2.014552
"447818"	614.273974	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M-2H"	-2.014552
"823434"	204.086474	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-2H"	-2.014552
"83427"	819.367724	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M-H"	-1.007276
"530645"	1229.555224	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M-H"	-1.007276
"904073"	409.180224	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-H"	-1.007276
"58447"	836.394271	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M-2H+NH4"	16.019271
"498009"	1246.581771	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M-2H+NH4"	16.019271
"873622"	426.206771	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-2H+NH4"	16.019271
"37520"	841.349666	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M-2H+Na"	20.974666
"479997"	1251.537166	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M-2H+Na"	20.974666
"850871"	431.162166	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-2H+Na"	20.974666
"1620040"	431.162166	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Na-2H"	20.974666
"94746"	427.168563	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M-H+Cl"	33.962126
"540141"	632.262313	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M-H+Cl"	33.962126
"931469"	222.074813	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-H+Cl"	33.962126
"272216"	855.344402	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+Cl"	34.969402
"665730"	1265.531902	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+Cl"	34.969402
"1280321"	445.156902	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Cl"	34.969402
"19596"	857.323606	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M-2H+K"	36.948606
"460251"	1267.511106	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M-2H+K"	36.948606
"833921"	447.136106	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-2H+K"	36.948606
"1568833"	447.136106	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+K-2H"	36.948606
"951612"	455.185694	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-H+HCOOH"	44.998194
"366554"	865.373201	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+HCOOH-H"	44.998201
"350069"	879.388851	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+Hac-H"	59.013851
"1502554"	469.201351	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Hac-H"	59.013851
"972283"	477.167651	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-H+NaCOOH"	66.980151
"120096"	445.156902	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+2Cl"	69.938804
"561844"	650.250652	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+2Cl"	69.938804
"1033924"	240.063152	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2Cl"	69.938804
"1254597"	489.106385	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Br"	78.918885
"1313763"	491.162372	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Cl+HCOOH"	80.974872
"1327978"	513.144329	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Cl+NaCOOH"	102.956829
"921223"	523.173086	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M-H+CF3COOH"	112.985586
"1290397"	559.149764	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Cl+CF3COOH"	148.962264
"1373911"	375.174824	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H-2H2O"	-35.012676
"1390313"	393.1848	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H-H2O"	-17.0027
"287082"	821.382276	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+H"	1.007276
"676339"	1231.569776	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+H"	1.007276
"1358769"	411.194776	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H"	1.007276
"132765"	411.194776	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+2H"	2.014552
"578889"	616.288526	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+2H"	2.014552
"1050241"	206.101026	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2H"	2.014552
"217780"	274.465609333333	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+3H"	3.021828
"657341"	411.194776	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+3H"	3.021828
"1175831"	137.736442666667	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+3H"	3.021828
"438739"	838.408823	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+NH4"	18.033823
"800343"	1248.596323	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+NH4"	18.033823
"1691691"	428.221323	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+NH4"	18.033823
"334500"	419.7080495	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+H+NH4"	19.041099
"730202"	624.8017995	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+H+NH4"	19.041099
"1485114"	214.6142995	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H+NH4"	19.041099
"407439"	843.364218	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+Na"	22.989218
"765884"	1253.551718	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+Na"	22.989218
"1617872"	433.176718	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Na"	22.989218
"328026"	422.185747	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+H+Na"	23.996494
"718259"	627.279497	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+H+Na"	23.996494
"1472078"	217.091997	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H+Na"	23.996494
"1065336"	145.063756666667	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2H+Na"	25.00377
"1263005"	443.220986	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+CH3OH+H"	33.033486
"384860"	859.338158	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+K"	38.963158
"744762"	1269.525658	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+K"	38.963158
"1551188"	449.150658	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+K"	38.963158
"307270"	430.172717	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+H+K"	39.970434
"699692"	635.266467	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+H+K"	39.970434
"1452418"	225.078967	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H+K"	39.970434
"244297"	862.408826	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+ACN+H"	42.033826
"1219194"	452.221326	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+ACN+H"	42.033826
"1205994"	226.614301	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+ACN+2H"	43.041102
"201051"	865.34616	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+2Na-H"	44.97116
"640972"	1275.53366	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+2Na-H"	44.97116
"1139009"	455.15866	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2Na-H"	44.97116
"179383"	433.176718	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+2Na"	45.978436
"616025"	638.270468	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+2Na"	45.978436
"1125008"	228.082968	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2Na"	45.978436
"1405613"	152.391070666667	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H+2Na"	46.985712
"1439191"	457.200246	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H+HCOOH"	47.012746
"231802"	438.20974	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+3H2O+2H"	56.04448
"1518775"	471.25229	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+IsoProp+H"	61.06479
"415179"	441.163688	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+Na+K"	61.952376
"775082"	646.257438	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+Na+K"	61.952376
"1670322"	236.069938	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Na+K"	61.952376
"259028"	884.390768	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+ACN+Na"	64.015768
"1236111"	474.203268	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+ACN+Na"	64.015768
"1722810"	474.226793	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+NH4+HCOOH"	64.039293
"1187799"	159.718384666667	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+3Na"	68.967654
"1660245"	479.182188	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Na+HCOOH"	68.994688
"172096"	897.29404	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+2K-H"	76.91904
"612307"	1307.48154	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+2K-H"	76.91904
"1098718"	487.10654	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2K-H"	76.91904
"154562"	449.150658	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"2M+2K"	77.926316
"594129"	654.244408	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"3M+2K"	77.926316
"1082650"	244.056908	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2K"	77.926316
"1113672"	489.121092	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2K+H"	78.933592
"1351304"	489.208707	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+DMSO+H"	79.021207
"1019925"	493.247876	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2ACN+H"	83.060376
"1539023"	494.241508	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+IsoProp+Na+H"	84.054008
"1005225"	247.127576	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+2ACN+2H"	84.067652
"1600208"	495.156128	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+K+HCOOH"	84.968628
"1425867"	525.187638	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+H+CF3COOH"	115.000138
"1157249"	267.640851	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+3ACN+2H"	125.094202
"1712477"	542.214185	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+NH4+CF3COOH"	132.026685
"1643547"	547.16958	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+Na+CF3COOH"	136.98208
"1584665"	563.14352	"C11073"	"Benfuracarb"	"C20H30N2O5S"	"410.1875"	"M+K+CF3COOH"	152.95602
"811749"	132.0245	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M"	0
"975803"	113.00611	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-H2O-H"	-19.01839
"64409"	87.0090573333333	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M-3H"	-3.021828
"505062"	131.017224	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M-3H"	-3.021828
"881769"	43.0008906666667	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-3H"	-3.021828
"10555"	131.017224	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M-2H"	-2.014552
"449021"	197.029474	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M-2H"	-2.014552
"823544"	65.004974	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-2H"	-2.014552
"83537"	263.041724	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M-H"	-1.007276
"525284"	395.066224	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M-H"	-1.007276
"903089"	131.017224	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-H"	-1.007276
"53090"	280.068271	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M-2H+NH4"	16.019271
"495930"	412.092771	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M-2H+NH4"	16.019271
"873732"	148.043771	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-2H+NH4"	16.019271
"37630"	285.023666	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M-2H+Na"	20.974666
"480107"	417.048166	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M-2H+Na"	20.974666
"850981"	152.999166	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-2H+Na"	20.974666
"1620515"	152.999166	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Na-2H"	20.974666
"95584"	149.005563	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M-H+Cl"	33.962126
"541344"	215.017813	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M-H+Cl"	33.962126
"931579"	82.993313	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-H+Cl"	33.962126
"272323"	299.018402	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+Cl"	34.969402
"665840"	431.042902	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+Cl"	34.969402
"1278244"	166.993902	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Cl"	34.969402
"21892"	300.997606	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M-2H+K"	36.948606
"457201"	433.022106	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M-2H+K"	36.948606
"834031"	168.973106	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-2H+K"	36.948606
"1561652"	168.973106	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+K-2H"	36.948606
"949533"	177.022694	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-H+HCOOH"	44.998194
"367757"	309.047201	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+HCOOH-H"	44.998201
"349086"	323.062851	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+Hac-H"	59.013851
"1506552"	191.038351	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Hac-H"	59.013851
"969114"	199.004651	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-H+NaCOOH"	66.980151
"123485"	166.993902	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+2Cl"	69.938804
"563776"	233.006152	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+2Cl"	69.938804
"1035373"	100.981652	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2Cl"	69.938804
"1254706"	210.943385	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Br"	78.918885
"1316059"	212.999372	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Cl+HCOOH"	80.974872
"1330274"	234.981329	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Cl+NaCOOH"	102.956829
"920240"	245.010086	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M-H+CF3COOH"	112.985586
"1291479"	280.986764	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Cl+CF3COOH"	148.962264
"1375114"	97.011824	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H-2H2O"	-35.012676
"1390423"	115.0218	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H-H2O"	-17.0027
"287921"	265.056276	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+H"	1.007276
"677424"	397.080776	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+H"	1.007276
"1359972"	133.031776	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H"	1.007276
"130688"	133.031776	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+2H"	2.014552
"579003"	199.044026	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+2H"	2.014552
"1049990"	67.019526	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2H"	2.014552
"217163"	89.0236093333333	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+3H"	3.021828
"657817"	133.031776	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+3H"	3.021828
"1176306"	45.0154426666667	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+3H"	3.021828
"437754"	282.082823	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+NH4"	18.033823
"799845"	414.107323	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+NH4"	18.033823
"1692894"	150.058323	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+NH4"	18.033823
"342266"	141.5450495	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+H+NH4"	19.041099
"730312"	207.5572995	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+H+NH4"	19.041099
"1484130"	75.5327995	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H+NH4"	19.041099
"401720"	287.038218	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+Na"	22.989218
"764900"	419.062718	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+Na"	22.989218
"1617738"	155.013718	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Na"	22.989218
"328015"	144.022747	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+H+Na"	23.996494
"717276"	210.034997	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+H+Na"	23.996494
"1472188"	78.010497	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H+Na"	23.996494
"1063624"	52.3427566666667	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2H+Na"	25.00377
"1262022"	165.057986	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+CH3OH+H"	33.033486
"383878"	303.012158	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+K"	38.963158
"742684"	435.036658	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+K"	38.963158
"1548018"	170.987658	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+K"	38.963158
"305194"	152.009717	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+H+K"	39.970434
"697616"	218.021967	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+H+K"	39.970434
"1451435"	85.997467	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H+K"	39.970434
"244409"	306.082826	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+ACN+H"	42.033826
"1221492"	174.058326	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+ACN+H"	42.033826
"1204281"	87.532801	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+ACN+2H"	43.041102
"200068"	309.02016	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+2Na-H"	44.97116
"641811"	441.04466	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+2Na-H"	44.97116
"1139847"	176.99566	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2Na-H"	44.97116
"179493"	155.013718	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+2Na"	45.978436
"617228"	221.025968	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+2Na"	45.978436
"1124753"	89.001468	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2Na"	45.978436
"1405723"	59.6700706666667	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H+2Na"	46.985712
"1432377"	179.037246	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H+HCOOH"	47.012746
"225351"	160.04674	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+3H2O+2H"	56.04448
"1513418"	193.08929	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+IsoProp+H"	61.06479
"412005"	163.000688	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+Na+K"	61.952376
"773731"	229.012938	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+Na+K"	61.952376
"1670432"	96.988438	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Na+K"	61.952376
"259137"	328.064768	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+ACN+Na"	64.015768
"1235853"	196.040268	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+ACN+Na"	64.015768
"1721825"	196.063793	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+NH4+HCOOH"	64.039293
"1184993"	66.9973846666667	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+3Na"	68.967654
"1658532"	201.019188	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Na+HCOOH"	68.994688
"171842"	340.96804	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+2K-H"	76.91904
"612255"	472.99254	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+2K-H"	76.91904
"1097856"	208.94354	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2K-H"	76.91904
"154672"	170.987658	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"2M+2K"	77.926316
"596669"	236.999908	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"3M+2K"	77.926316
"1082761"	104.975408	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2K"	77.926316
"1112812"	210.958092	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2K+H"	78.933592
"1351062"	211.045707	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+DMSO+H"	79.021207
"1020035"	215.084876	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2ACN+H"	83.060376
"1538282"	216.078508	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+IsoProp+Na+H"	84.054008
"1005092"	108.046076	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+2ACN+2H"	84.067652
"1601290"	216.993128	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+K+HCOOH"	84.968628
"1427800"	247.024638	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+H+CF3COOH"	115.000138
"1157359"	128.559351	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+3ACN+2H"	125.094202
"1712587"	264.051185	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+NH4+CF3COOH"	132.026685
"1643657"	269.00658	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+Na+CF3COOH"	136.98208
"1584775"	284.98052	"C11074"	"THTC;2-n-Tetrahydrothiophenecarboxylic acid"	"C5H8O2S"	"132.0245"	"M+K+CF3COOH"	152.95602
"805298"	236.1161	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M"	0
"974941"	217.09771	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-H2O-H"	-19.01839
"63196"	156.403457333333	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M-3H"	-3.021828
"504444"	235.108824	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M-3H"	-3.021828
"881152"	77.6980906666667	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-3H"	-3.021828
"9572"	235.108824	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M-2H"	-2.014552
"448038"	353.166874	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M-2H"	-2.014552
"822561"	117.050774	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-2H"	-2.014552
"83647"	471.224924	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M-H"	-1.007276
"523208"	707.341024	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M-H"	-1.007276
"901013"	235.108824	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-H"	-1.007276
"53200"	488.251471	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M-2H+NH4"	16.019271
"499320"	724.367571	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M-2H+NH4"	16.019271
"873842"	252.135371	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-2H+NH4"	16.019271
"35553"	493.206866	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M-2H+Na"	20.974666
"478030"	729.322966	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M-2H+Na"	20.974666
"851091"	257.090766	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-2H+Na"	20.974666
"1619164"	257.090766	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Na-2H"	20.974666
"94844"	253.097163	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M-H+Cl"	33.962126
"538174"	371.155213	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M-H+Cl"	33.962126
"931689"	135.039113	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-H+Cl"	33.962126
"271340"	507.201602	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+Cl"	34.969402
"661574"	743.317702	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+Cl"	34.969402
"1278354"	271.085502	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Cl"	34.969402
"22002"	509.180806	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M-2H+K"	36.948606
"456213"	745.296906	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M-2H+K"	36.948606
"833531"	273.064706	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-2H+K"	36.948606
"1558479"	273.064706	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+K-2H"	36.948606
"944175"	281.114294	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-H+HCOOH"	44.998194
"367867"	517.230401	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+HCOOH-H"	44.998201
"349925"	531.246051	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+Hac-H"	59.013851
"1507027"	295.129951	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Hac-H"	59.013851
"969224"	303.096251	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-H+NaCOOH"	66.980151
"123595"	271.085502	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+2Cl"	69.938804
"563522"	389.143552	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+2Cl"	69.938804
"1034754"	153.027452	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2Cl"	69.938804
"1254454"	315.034985	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Br"	78.918885
"1315076"	317.090972	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Cl+HCOOH"	80.974872
"1329291"	339.072929	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Cl+NaCOOH"	102.956829
"920350"	349.101686	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M-H+CF3COOH"	112.985586
"1290860"	385.078364	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Cl+CF3COOH"	148.962264
"1377411"	201.103424	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H-2H2O"	-35.012676
"1389441"	219.1134	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H-H2O"	-17.0027
"286938"	473.239476	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+H"	1.007276
"677170"	709.355576	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+H"	1.007276
"1357896"	237.123376	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H"	1.007276
"131887"	237.123376	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+2H"	2.014552
"571447"	355.181426	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+2H"	2.014552
"1041706"	119.065326	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2H"	2.014552
"219712"	158.418009333333	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+3H"	3.021828
"659590"	237.123376	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+3H"	3.021828
"1178386"	79.7126426666667	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+3H"	3.021828
"439948"	490.266023	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+NH4"	18.033823
"801097"	726.382123	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+NH4"	18.033823
"1695921"	254.149923	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+NH4"	18.033823
"340189"	245.6366495	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+H+NH4"	19.041099
"732610"	363.6946995	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+H+NH4"	19.041099
"1492143"	127.5785995	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H+NH4"	19.041099
"406205"	495.221418	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+Na"	22.989218
"762825"	731.337518	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+Na"	22.989218
"1616390"	259.105318	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Na"	22.989218
"327519"	248.114347	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+H+Na"	23.996494
"722249"	366.172397	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+H+Na"	23.996494
"1472663"	130.056297	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H+Na"	23.996494
"1067946"	87.0399566666667	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2H+Na"	25.00377
"1265414"	269.149586	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+CH3OH+H"	33.033486
"386175"	511.195358	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+K"	38.963158
"743888"	747.311458	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+K"	38.963158
"1547037"	275.079258	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+K"	38.963158
"307492"	256.101317	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+H+K"	39.970434
"696630"	374.159367	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+H+K"	39.970434
"1459932"	138.043267	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H+K"	39.970434
"248895"	514.266026	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+ACN+H"	42.033826
"1223789"	278.149926	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+ACN+H"	42.033826
"1208280"	139.578601	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+ACN+2H"	43.041102
"203581"	517.20336	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+2Na-H"	44.97116
"641192"	753.31946	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+2Na-H"	44.97116
"1139229"	281.08726	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2Na-H"	44.97116
"178510"	259.105318	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+2Na"	45.978436
"616610"	377.163368	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+2Na"	45.978436
"1128871"	141.047268	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2Na"	45.978436
"1409113"	94.3672706666667	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H+2Na"	46.985712
"1433581"	283.128846	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H+HCOOH"	47.012746
"226554"	264.13834	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+3H2O+2H"	56.04448
"1512431"	297.18089	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+IsoProp+H"	61.06479
"411390"	267.092288	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+Na+K"	61.952376
"774206"	385.150338	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+Na+K"	61.952376
"1669445"	149.034238	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Na+K"	61.952376
"258150"	536.247968	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+ACN+Na"	64.015768
"1234140"	300.131868	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+ACN+Na"	64.015768
"1720843"	300.155393	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+NH4+HCOOH"	64.039293
"1185103"	101.694584666667	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+3Na"	68.967654
"1658279"	305.110788	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Na+HCOOH"	68.994688
"170613"	549.15124	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+2K-H"	76.91904
"612568"	785.26734	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+2K-H"	76.91904
"1096873"	313.03514	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2K-H"	76.91904
"154782"	275.079258	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"2M+2K"	77.926316
"596541"	393.137308	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"3M+2K"	77.926316
"1077765"	157.021208	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2K"	77.926316
"1113161"	315.049692	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2K+H"	78.933592
"1349544"	315.137307	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+DMSO+H"	79.021207
"1020270"	319.176476	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2ACN+H"	83.060376
"1539124"	320.170108	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+IsoProp+Na+H"	84.054008
"1004717"	160.091876	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+2ACN+2H"	84.067652
"1600428"	321.084728	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+K+HCOOH"	84.968628
"1426088"	351.116238	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+H+CF3COOH"	115.000138
"1157469"	180.605151	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+3ACN+2H"	125.094202
"1711397"	368.142785	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+NH4+CF3COOH"	132.026685
"1643767"	373.09818	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+Na+CF3COOH"	136.98208
"1584885"	389.07212	"C11075"	"Carbetamide"	"C12H16N2O3"	"236.1161"	"M+K+CF3COOH"	152.95602
"805408"	256.2225	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M"	0
"975659"	237.20411	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-H2O-H"	-19.01839
"63901"	169.807724	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M-3H"	-3.021828
"505648"	255.215224	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M-3H"	-3.021828
"881262"	84.400224	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-3H"	-3.021828
"6402"	255.215224	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M-2H"	-2.014552
"448148"	383.326474	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M-2H"	-2.014552
"822671"	127.103974	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-2H"	-2.014552
"87038"	511.437724	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M-H"	-1.007276
"523318"	767.660224	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M-H"	-1.007276
"902215"	255.215224	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-H"	-1.007276
"50027"	528.464271	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M-2H+NH4"	16.019271
"489222"	784.686771	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M-2H+NH4"	16.019271
"865200"	272.241771	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-2H+NH4"	16.019271
"35663"	533.419666	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M-2H+Na"	20.974666
"474858"	789.642166	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M-2H+Na"	20.974666
"849742"	277.197166	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-2H+Na"	20.974666
"1619024"	277.197166	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Na-2H"	20.974666
"96161"	273.203563	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M-H+Cl"	33.962126
"534799"	401.314813	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M-H+Cl"	33.962126
"928517"	145.092313	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-H+Cl"	33.962126
"271450"	547.414402	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+Cl"	34.969402
"661684"	803.636902	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+Cl"	34.969402
"1278464"	291.191902	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Cl"	34.969402
"19926"	549.393606	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M-2H+K"	36.948606
"456568"	805.616106	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M-2H+K"	36.948606
"834373"	293.171106	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-2H+K"	36.948606
"1558588"	293.171106	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+K-2H"	36.948606
"947566"	301.220694	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-H+HCOOH"	44.998194
"363597"	557.443201	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+HCOOH-H"	44.998201
"348577"	571.458851	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+Hac-H"	59.013851
"1507826"	315.236351	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Hac-H"	59.013851
"970423"	323.202651	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-H+NaCOOH"	66.980151
"124434"	291.191902	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+2Cl"	69.938804
"563996"	419.303152	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+2Cl"	69.938804
"1035228"	163.080652	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2Cl"	69.938804
"1254564"	335.141385	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Br"	78.918885
"1318467"	337.197372	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Cl+HCOOH"	80.974872
"1330495"	359.179329	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Cl+NaCOOH"	102.956829
"923740"	369.208086	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M-H+CF3COOH"	112.985586
"1293157"	405.184764	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Cl+CF3COOH"	148.962264
"1377521"	221.209824	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H-2H2O"	-35.012676
"1389551"	239.2198	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H-H2O"	-17.0027
"287048"	513.452276	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+H"	1.007276
"676307"	769.674776	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+H"	1.007276
"1358006"	257.229776	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H"	1.007276
"129799"	257.229776	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+2H"	2.014552
"571555"	385.341026	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+2H"	2.014552
"1045822"	129.118526	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2H"	2.014552
"217012"	171.822276	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+3H"	3.021828
"659254"	257.229776	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+3H"	3.021828
"1178104"	86.414776	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+3H"	3.021828
"439194"	530.478823	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+NH4"	18.033823
"801203"	786.701323	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+NH4"	18.033823
"1696034"	274.256323	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+NH4"	18.033823
"343583"	265.7430495	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+H+NH4"	19.041099
"733815"	393.8542995	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+H+NH4"	19.041099
"1491647"	137.6317995	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H+NH4"	19.041099
"408518"	535.434218	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+Na"	22.989218
"767674"	791.656718	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+Na"	22.989218
"1617230"	279.211718	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Na"	22.989218
"329090"	268.220747	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+H+Na"	23.996494
"721873"	396.331997	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+H+Na"	23.996494
"1472773"	140.109497	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H+Na"	23.996494
"1067853"	93.74209	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2H+Na"	25.00377
"1262244"	289.255986	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+CH3OH+H"	33.033486
"384098"	551.408158	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+K"	38.963158
"744000"	807.630658	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+K"	38.963158
"1549333"	295.185658	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+K"	38.963158
"313759"	276.207717	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+H+K"	39.970434
"706221"	404.318967	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+H+K"	39.970434
"1459313"	148.096467	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H+K"	39.970434
"250098"	554.478826	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+ACN+H"	42.033826
"1223534"	298.256326	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+ACN+H"	42.033826
"1207783"	149.631801	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+ACN+2H"	43.041102
"204017"	557.41616	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+2Na-H"	44.97116
"639115"	813.63866	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+2Na-H"	44.97116
"1141528"	301.19366	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2Na-H"	44.97116
"181536"	279.211718	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+2Na"	45.978436
"617814"	407.322968	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+2Na"	45.978436
"1126794"	151.100468	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2Na"	45.978436
"1408860"	101.069404	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H+2Na"	46.985712
"1434784"	303.235246	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H+HCOOH"	47.012746
"226664"	284.24474	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+3H2O+2H"	56.04448
"1513998"	317.28729	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+IsoProp+H"	61.06479
"412592"	287.198688	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+Na+K"	61.952376
"773586"	415.309938	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+Na+K"	61.952376
"1670648"	159.087438	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Na+K"	61.952376
"255708"	576.460768	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+ACN+Na"	64.015768
"1230240"	320.238268	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+ACN+Na"	64.015768
"1717671"	320.261793	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+NH4+HCOOH"	64.039293
"1184118"	108.396718	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+3Na"	68.967654
"1657295"	325.217188	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Na+HCOOH"	68.994688
"171452"	589.36404	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+2K-H"	76.91904
"612708"	845.58654	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+2K-H"	76.91904
"1099745"	333.14154	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2K-H"	76.91904
"156596"	295.185658	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"2M+2K"	77.926316
"596768"	423.296908	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"3M+2K"	77.926316
"1084132"	167.074408	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2K"	77.926316
"1114241"	335.156092	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2K+H"	78.933592
"1350752"	335.243707	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+DMSO+H"	79.021207
"1019282"	339.282876	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2ACN+H"	83.060376
"1539825"	340.276508	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+IsoProp+Na+H"	84.054008
"1004585"	170.145076	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+2ACN+2H"	84.067652
"1601512"	341.191128	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+K+HCOOH"	84.968628
"1426198"	371.222638	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+H+CF3COOH"	115.000138
"1161590"	190.658351	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+3ACN+2H"	125.094202
"1710414"	388.249185	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+NH4+CF3COOH"	132.026685
"1643877"	393.20458	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+Na+CF3COOH"	136.98208
"1584995"	409.17852	"C11076"	"2-N-Dodecyltetrahydrothiophene;DTHT"	"C16H32S"	"256.2225"	"M+K+CF3COOH"	152.95602
"805518"	267.1471	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M"	0
"975768"	248.12871	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-H2O-H"	-19.01839
"64009"	177.090790666667	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M-3H"	-3.021828
"504054"	266.139824	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M-3H"	-3.021828
"882097"	88.0417573333333	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-3H"	-3.021828
"1405"	266.139824	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M-2H"	-2.014552
"442787"	399.713374	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M-2H"	-2.014552
"822780"	132.566274	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-2H"	-2.014552
"83868"	533.286924	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M-H"	-1.007276
"521240"	800.434024	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M-H"	-1.007276
"902325"	266.139824	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-H"	-1.007276
"51960"	550.313471	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M-2H+NH4"	16.019271
"490790"	817.460571	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M-2H+NH4"	16.019271
"866040"	283.166371	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-2H+NH4"	16.019271
"33949"	555.268866	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M-2H+Na"	20.974666
"474603"	822.415966	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M-2H+Na"	20.974666
"849851"	288.121766	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-2H+Na"	20.974666
"1618619"	288.121766	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Na-2H"	20.974666
"95540"	284.128163	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M-H+Cl"	33.962126
"535477"	417.701713	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M-H+Cl"	33.962126
"930815"	150.554613	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-H+Cl"	33.962126
"269374"	569.263602	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+Cl"	34.969402
"660172"	836.410702	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+Cl"	34.969402
"1281854"	302.116502	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Cl"	34.969402
"20036"	571.242806	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M-2H+K"	36.948606
"455947"	838.389906	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M-2H+K"	36.948606
"835576"	304.095706	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-2H+K"	36.948606
"1556512"	304.095706	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+K-2H"	36.948606
"948040"	312.145294	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-H+HCOOH"	44.998194
"364068"	579.292401	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+HCOOH-H"	44.998201
"348317"	593.308051	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+Hac-H"	59.013851
"1499708"	326.160951	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Hac-H"	59.013851
"970533"	334.127251	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-H+NaCOOH"	66.980151
"124787"	302.116502	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+2Cl"	69.938804
"564106"	435.690052	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+2Cl"	69.938804
"1036550"	168.542952	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2Cl"	69.938804
"1255767"	346.065985	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Br"	78.918885
"1318577"	348.121972	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Cl+HCOOH"	80.974872
"1331698"	370.103929	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Cl+NaCOOH"	102.956829
"920570"	380.132686	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M-H+CF3COOH"	112.985586
"1293267"	416.109364	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Cl+CF3COOH"	148.962264
"1377631"	232.134424	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H-2H2O"	-35.012676
"1387474"	250.1444	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H-H2O"	-17.0027
"286065"	535.301476	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+H"	1.007276
"676661"	802.448576	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+H"	1.007276
"1355198"	268.154376	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H"	1.007276
"129909"	268.154376	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+2H"	2.014552
"570571"	401.727926	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+2H"	2.014552
"1045932"	134.580826	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2H"	2.014552
"209461"	179.105342666667	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+3H"	3.021828
"659687"	268.154376	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+3H"	3.021828
"1178340"	90.0563093333333	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+3H"	3.021828
"439550"	552.328023	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+NH4"	18.033823
"801030"	819.475123	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+NH4"	18.033823
"1696892"	285.180923	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+NH4"	18.033823
"344788"	276.6676495	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+H+NH4"	19.041099
"736844"	410.2411995	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+H+NH4"	19.041099
"1492614"	143.0940995	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H+NH4"	19.041099
"407520"	557.283418	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+Na"	22.989218
"768150"	824.430518	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+Na"	22.989218
"1617585"	290.136318	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Na"	22.989218
"329202"	279.145347	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+H+Na"	23.996494
"720526"	412.718897	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+H+Na"	23.996494
"1473250"	145.571797	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H+Na"	23.996494
"1066141"	97.3836233333333	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2H+Na"	25.00377
"1262354"	300.180586	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+CH3OH+H"	33.033486
"388582"	573.257358	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+K"	38.963158
"745202"	840.404458	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+K"	38.963158
"1548349"	306.110258	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+K"	38.963158
"313908"	287.132317	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+H+K"	39.970434
"704143"	420.705867	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+H+K"	39.970434
"1459422"	153.558767	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H+K"	39.970434
"249115"	576.328026	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+ACN+H"	42.033826
"1224739"	309.180926	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+ACN+H"	42.033826
"1206801"	155.094101	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+ACN+2H"	43.041102
"203801"	579.26536	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+2Na-H"	44.97116
"638132"	846.41246	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+2Na-H"	44.97116
"1139450"	312.11826	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2Na-H"	44.97116
"184926"	290.136318	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+2Na"	45.978436
"614643"	423.709868	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+2Na"	45.978436
"1129702"	156.562768	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2Na"	45.978436
"1411524"	104.710937333333	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H+2Na"	46.985712
"1437081"	314.159846	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H+HCOOH"	47.012746
"226774"	295.16934	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+3H2O+2H"	56.04448
"1513744"	328.21189	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+IsoProp+H"	61.06479
"412339"	298.123288	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+Na+K"	61.952376
"775519"	431.696838	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+Na+K"	61.952376
"1670758"	164.549738	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Na+K"	61.952376
"258370"	598.309968	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+ACN+Na"	64.015768
"1229987"	331.162868	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+ACN+Na"	64.015768
"1718873"	331.186393	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+NH4+HCOOH"	64.039293
"1183135"	112.038251333333	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+3Na"	68.967654
"1657405"	336.141788	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Na+HCOOH"	68.994688
"171928"	611.21324	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+2K-H"	76.91904
"611490"	878.36034	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+2K-H"	76.91904
"1099528"	344.06614	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2K-H"	76.91904
"156097"	306.110258	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"2M+2K"	77.926316
"596148"	439.683808	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"3M+2K"	77.926316
"1082356"	172.536708	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2K"	77.926316
"1112285"	346.080692	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2K+H"	78.933592
"1345388"	346.168307	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+DMSO+H"	79.021207
"1021055"	350.207476	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2ACN+H"	83.060376
"1539341"	351.201108	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+IsoProp+Na+H"	84.054008
"1004695"	175.607376	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+2ACN+2H"	84.067652
"1601743"	352.115728	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+K+HCOOH"	84.968628
"1426307"	382.147238	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+H+CF3COOH"	115.000138
"1160971"	196.120651	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+3ACN+2H"	125.094202
"1712661"	399.173785	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+NH4+CF3COOH"	132.026685
"1643987"	404.12918	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+Na+CF3COOH"	136.98208
"1585105"	420.10312	"C11077"	"Diethofencarb"	"C14H21NO4"	"267.1471"	"M+K+CF3COOH"	152.95602
"802590"	301.1314	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M"	0
"974784"	282.11301	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"63090"	199.746990666667	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"503070"	300.124124	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"881844"	99.3698573333333	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"905"	300.124124	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"442897"	450.689824	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"818269"	149.558424	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"83978"	601.255524	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"520986"	902.386924	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"902435"	300.124124	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"52070"	618.282071	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"489442"	919.413471	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"865784"	317.150671	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"33695"	623.237466	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"473257"	924.368866	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"849597"	322.106066	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1618841"	322.106066	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"95046"	318.112463	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"535344"	468.678163	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"927318"	167.546763	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"268390"	637.232202	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"661174"	938.363602	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1274429"	336.100802	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"17104"	639.211406	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"457517"	940.342806	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"834347"	338.080006	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1556619"	338.080006	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"944501"	346.129594	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"361774"	647.261001	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"347088"	661.276651	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1499818"	360.145251	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"965175"	368.111551	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"117363"	336.100802	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"560203"	486.666502	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1035565"	185.535102	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1255393"	380.050285	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1317594"	382.106272	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1331808"	404.088229	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"919586"	414.116986	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1290826"	450.093664	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1378834"	266.118724	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1391958"	284.1287	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"285809"	603.270076	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"677866"	904.401476	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1357131"	302.138676	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"127467"	302.138676	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"572867"	452.704376	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1046042"	151.572976	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"207385"	201.761542666667	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"658865"	302.138676	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1172731"	101.384409333333	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"434907"	620.296623	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"800901"	921.428023	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1696702"	319.165223	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"344164"	310.6519495	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"737321"	461.2176495	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1492444"	160.0862495	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"407999"	625.252018	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"769480"	926.383418	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1618257"	324.120618	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"328951"	313.129647	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"719907"	463.695347	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1471901"	162.563947	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1066130"	108.711723333333	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1261370"	334.164886	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"389786"	641.225958	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"744219"	942.357358	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1548460"	340.094558	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"312926"	321.116617	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"704256"	471.682317	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1459168"	170.550917	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"249836"	644.296626	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1224121"	343.165226	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1208003"	172.086251	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"202939"	647.23396	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"638242"	948.36536	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1140654"	346.10256	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"182850"	324.120618	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"615117"	474.686318	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1128475"	173.554918	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1411631"	116.039037333333	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1439377"	348.144146	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"225791"	329.15364	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1517135"	362.19619	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"411356"	332.107588	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"777815"	482.673288	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1671962"	181.541888	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"255201"	666.278568	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1230097"	365.147168	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1716797"	365.170693	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1183245"	123.366351333333	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1657515"	370.126088	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"172490"	679.18184	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"612084"	980.31324	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1095015"	378.05044	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"152925"	340.094558	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"596259"	490.660258	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1082345"	189.528858	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1112395"	380.064992	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1344405"	380.152607	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1015118"	384.191776	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1537994"	385.185408	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"1005047"	192.599526	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1601489"	386.100028	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1426417"	416.131538	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1161810"	213.112801	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1712338"	433.158085	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1644097"	438.11348	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1585215"	454.08742	"C11078"	"Fenoxycarb"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"804644"	238.143	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M"	0
"977082"	219.12461	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-H2O-H"	-19.01839
"66416"	157.754724	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M-3H"	-3.021828
"503788"	237.135724	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M-3H"	-3.021828
"882683"	78.373724	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-3H"	-3.021828
"2354"	237.135724	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M-2H"	-2.014552
"443007"	356.207224	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M-2H"	-2.014552
"818017"	118.064224	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-2H"	-2.014552
"80440"	475.278724	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M-H"	-1.007276
"519755"	713.421724	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M-H"	-1.007276
"902545"	237.135724	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-H"	-1.007276
"51450"	492.305271	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M-2H+NH4"	16.019271
"489916"	730.448271	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M-2H+NH4"	16.019271
"865651"	254.162271	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-2H+NH4"	16.019271
"36723"	497.260666	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M-2H+Na"	20.974666
"476283"	735.403666	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M-2H+Na"	20.974666
"851163"	259.117666	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-2H+Na"	20.974666
"1619720"	259.117666	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Na-2H"	20.974666
"95520"	255.124063	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M-H+Cl"	33.962126
"535454"	374.195563	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M-H+Cl"	33.962126
"928481"	136.052563	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-H+Cl"	33.962126
"268864"	511.255402	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+Cl"	34.969402
"662134"	749.398402	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+Cl"	34.969402
"1274903"	273.112402	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Cl"	34.969402
"17213"	513.234606	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M-2H+K"	36.948606
"458721"	751.377606	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M-2H+K"	36.948606
"833969"	275.091606	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-2H+K"	36.948606
"1556118"	275.091606	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+K-2H"	36.948606
"944123"	283.141194	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-H+HCOOH"	44.998194
"362463"	521.284201	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+HCOOH-H"	44.998201
"346588"	535.299851	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+Hac-H"	59.013851
"1495912"	297.156851	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Hac-H"	59.013851
"961634"	305.123151	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-H+NaCOOH"	66.980151
"117470"	273.112402	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+2Cl"	69.938804
"555936"	392.183902	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+2Cl"	69.938804
"1029111"	154.040902	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2Cl"	69.938804
"1254160"	317.061885	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Br"	78.918885
"1317702"	319.117872	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Cl+HCOOH"	80.974872
"1328636"	341.099829	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Cl+NaCOOH"	102.956829
"916778"	351.128586	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M-H+CF3COOH"	112.985586
"1292757"	387.105264	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Cl+CF3COOH"	148.962264
"1377851"	203.130324	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H-2H2O"	-35.012676
"1387693"	221.1403	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H-H2O"	-17.0027
"285190"	477.293276	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+H"	1.007276
"678340"	715.436276	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+H"	1.007276
"1354324"	239.150276	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H"	1.007276
"128303"	239.150276	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+2H"	2.014552
"572976"	358.221776	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+2H"	2.014552
"1041778"	120.078776	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2H"	2.014552
"208587"	159.769276	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+3H"	3.021828
"656538"	239.150276	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+3H"	3.021828
"1174663"	80.388276	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+3H"	3.021828
"436111"	494.319823	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+NH4"	18.033823
"800647"	732.462823	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+NH4"	18.033823
"1696492"	256.176823	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+NH4"	18.033823
"344274"	247.6635495	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+H+NH4"	19.041099
"737550"	366.7350495	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+H+NH4"	19.041099
"1491625"	128.5920495	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H+NH4"	19.041099
"407867"	499.275218	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+Na"	22.989218
"769473"	737.418218	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+Na"	22.989218
"1617773"	261.132218	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Na"	22.989218
"329510"	250.141247	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+H+Na"	23.996494
"722211"	369.212747	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+H+Na"	23.996494
"1474198"	131.069747	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H+Na"	23.996494
"1066361"	87.71559	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2H+Na"	25.00377
"1262573"	271.176486	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+CH3OH+H"	33.033486
"387709"	515.249158	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+K"	38.963158
"745421"	753.392158	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+K"	38.963158
"1550754"	277.106158	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+K"	38.963158
"312672"	258.128217	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+H+K"	39.970434
"705825"	377.199717	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+H+K"	39.970434
"1460696"	139.056717	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H+K"	39.970434
"250067"	518.319826	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+ACN+H"	42.033826
"1223746"	280.176826	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+ACN+H"	42.033826
"1208722"	140.592051	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+ACN+2H"	43.041102
"203658"	521.25716	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+2Na-H"	44.97116
"637258"	759.40016	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+2Na-H"	44.97116
"1139671"	283.11416	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2Na-H"	44.97116
"180773"	261.132218	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+2Na"	45.978436
"617051"	380.203718	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+2Na"	45.978436
"1129679"	142.060718	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2Na"	45.978436
"1410647"	95.042904	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H+2Na"	46.985712
"1441310"	285.155746	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H+HCOOH"	47.012746
"229182"	266.16524	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+3H2O+2H"	56.04448
"1517245"	299.20779	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+IsoProp+H"	61.06479
"412559"	269.119188	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+Na+K"	61.952376
"776832"	388.190688	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+Na+K"	61.952376
"1673165"	150.047688	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Na+K"	61.952376
"256404"	540.301768	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+ACN+Na"	64.015768
"1231300"	302.158768	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+ACN+Na"	64.015768
"1716907"	302.182293	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+NH4+HCOOH"	64.039293
"1185541"	102.370218	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+3Na"	68.967654
"1657625"	307.137688	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Na+HCOOH"	68.994688
"170699"	553.20504	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+2K-H"	76.91904
"611586"	791.34804	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+2K-H"	76.91904
"1097311"	315.06204	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2K-H"	76.91904
"156315"	277.106158	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"2M+2K"	77.926316
"596126"	396.177658	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"3M+2K"	77.926316
"1083428"	158.034658	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2K"	77.926316
"1112505"	317.076592	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2K+H"	78.933592
"1348887"	317.164207	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+DMSO+H"	79.021207
"1017415"	321.203376	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2ACN+H"	83.060376
"1538590"	322.197008	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+IsoProp+Na+H"	84.054008
"1004795"	161.105326	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+2ACN+2H"	84.067652
"1601599"	323.111628	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+K+HCOOH"	84.968628
"1425433"	353.143138	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+H+CF3COOH"	115.000138
"1160098"	181.618601	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+3ACN+2H"	125.094202
"1711837"	370.169685	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+NH4+CF3COOH"	132.026685
"1644207"	375.12508	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+Na+CF3COOH"	136.98208
"1585325"	391.09902	"C11079"	"Pirimicarb"	"C11H18N4O2"	"238.143"	"M+K+CF3COOH"	152.95602
"805848"	237.0606	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M"	0
"980473"	218.04221	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-H2O-H"	-19.01839
"67621"	157.033124	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M-3H"	-3.021828
"506086"	236.053324	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M-3H"	-3.021828
"884978"	78.012924	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-3H"	-3.021828
"3192"	236.053324	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M-2H"	-2.014552
"445666"	354.583624	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M-2H"	-2.014552
"819464"	117.523024	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-2H"	-2.014552
"83466"	473.113924	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M-H"	-1.007276
"521204"	710.174524	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M-H"	-1.007276
"903748"	236.053324	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-H"	-1.007276
"51560"	490.140471	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M-2H+NH4"	16.019271
"489662"	727.201071	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M-2H+NH4"	16.019271
"865883"	253.079871	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-2H+NH4"	16.019271
"36833"	495.095866	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M-2H+Na"	20.974666
"476394"	732.156466	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M-2H+Na"	20.974666
"854194"	258.035266	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-2H+Na"	20.974666
"1620806"	258.035266	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Na-2H"	20.974666
"96606"	254.041663	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M-H+Cl"	33.962126
"536900"	372.571963	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M-H+Cl"	33.962126
"929321"	135.511363	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-H+Cl"	33.962126
"269702"	509.090602	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+Cl"	34.969402
"661878"	746.151202	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+Cl"	34.969402
"1277079"	272.030002	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Cl"	34.969402
"17931"	511.069806	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M-2H+K"	36.948606
"458103"	748.130406	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M-2H+K"	36.948606
"834686"	274.009206	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-2H+K"	36.948606
"1557200"	274.009206	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+K-2H"	36.948606
"945813"	282.058794	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-H+HCOOH"	44.998194
"363058"	519.119401	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+HCOOH-H"	44.998201
"346455"	533.135051	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+Hac-H"	59.013851
"1498573"	296.074451	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Hac-H"	59.013851
"961744"	304.040751	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-H+NaCOOH"	66.980151
"112106"	272.030002	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+2Cl"	69.938804
"558232"	390.560302	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+2Cl"	69.938804
"1028124"	153.499702	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2Cl"	69.938804
"1250990"	315.979485	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Br"	78.918885
"1313437"	318.035472	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Cl+HCOOH"	80.974872
"1327652"	340.017429	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Cl+NaCOOH"	102.956829
"917252"	350.046186	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M-H+CF3COOH"	112.985586
"1292503"	386.022864	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Cl+CF3COOH"	148.962264
"1376867"	202.047924	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H-2H2O"	-35.012676
"1389989"	220.0579	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H-H2O"	-17.0027
"287488"	475.128476	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+H"	1.007276
"677722"	712.189076	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+H"	1.007276
"1354434"	238.067876	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H"	1.007276
"129143"	238.067876	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+2H"	2.014552
"566159"	356.598176	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+2H"	2.014552
"1040795"	119.537576	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2H"	2.014552
"208696"	159.047676	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+3H"	3.021828
"652638"	238.067876	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+3H"	3.021828
"1171856"	80.027476	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+3H"	3.021828
"432941"	492.155023	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+NH4"	18.033823
"801237"	729.215623	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+NH4"	18.033823
"1695377"	255.094423	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+NH4"	18.033823
"344015"	246.5811495	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+H+NH4"	19.041099
"738424"	365.1114495	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+H+NH4"	19.041099
"1492380"	128.0508495	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H+NH4"	19.041099
"407977"	497.110418	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+Na"	22.989218
"769332"	734.171018	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+Na"	22.989218
"1617913"	260.049818	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Na"	22.989218
"329291"	249.058847	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+H+Na"	23.996494
"722433"	367.589147	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+H+Na"	23.996494
"1472121"	130.528547	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H+Na"	23.996494
"1058818"	87.35479	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2H+Na"	25.00377
"1259400"	270.094086	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+CH3OH+H"	33.033486
"382351"	513.084358	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+K"	38.963158
"744438"	750.144958	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+K"	38.963158
"1546489"	276.023758	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+K"	38.963158
"308039"	257.045817	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+H+K"	39.970434
"703742"	375.576117	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+H+K"	39.970434
"1456469"	138.515517	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H+K"	39.970434
"243977"	516.155026	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+ACN+H"	42.033826
"1223248"	279.094426	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+ACN+H"	42.033826
"1207126"	140.050851	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+ACN+2H"	43.041102
"202183"	519.09236	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+2Na-H"	44.97116
"639555"	756.15296	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+2Na-H"	44.97116
"1139781"	282.03176	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2Na-H"	44.97116
"180883"	260.049818	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+2Na"	45.978436
"623722"	378.580118	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+2Na"	45.978436
"1129056"	141.519518	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2Na"	45.978436
"1411850"	94.682104	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H+2Na"	46.985712
"1430361"	284.073346	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H+HCOOH"	47.012746
"221759"	265.08284	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+3H2O+2H"	56.04448
"1510428"	298.12539	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+IsoProp+H"	61.06479
"410477"	268.036788	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+Na+K"	61.952376
"771227"	386.567088	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+Na+K"	61.952376
"1667443"	149.506488	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Na+K"	61.952376
"255421"	538.136968	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+ACN+Na"	64.015768
"1227400"	301.076368	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+ACN+Na"	64.015768
"1717017"	301.099893	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+NH4+HCOOH"	64.039293
"1184558"	102.009418	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+3Na"	68.967654
"1655548"	306.055288	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Na+HCOOH"	68.994688
"171164"	551.04024	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+2K-H"	76.91904
"609630"	788.10084	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+2K-H"	76.91904
"1093048"	313.97964	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2K-H"	76.91904
"156672"	276.023758	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"2M+2K"	77.926316
"593803"	394.554058	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"3M+2K"	77.926316
"1083295"	157.493458	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2K"	77.926316
"1114684"	315.994192	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2K+H"	78.933592
"1345719"	316.081807	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+DMSO+H"	79.021207
"1014245"	320.120976	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2ACN+H"	83.060376
"1536391"	321.114608	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+IsoProp+Na+H"	84.054008
"1004054"	160.564126	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+2ACN+2H"	84.067652
"1602078"	322.029228	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+K+HCOOH"	84.968628
"1425546"	352.060738	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+H+CF3COOH"	115.000138
"1160207"	181.077401	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+3ACN+2H"	125.094202
"1712194"	369.087285	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+NH4+CF3COOH"	132.026685
"1647598"	374.04268	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+Na+CF3COOH"	136.98208
"1585435"	390.01662	"C11080"	"Cartap"	"C7H15N3O2S2"	"237.0606"	"M+K+CF3COOH"	152.95602
"805958"	189.1187	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M"	0
"976207"	170.10031	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-H2O-H"	-19.01839
"64451"	125.071857333333	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M-3H"	-3.021828
"502847"	188.111424	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M-3H"	-3.021828
"879981"	62.0322906666667	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-3H"	-3.021828
"3668"	188.111424	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M-2H"	-2.014552
"442135"	282.670774	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M-2H"	-2.014552
"822126"	93.552074	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-2H"	-2.014552
"83212"	377.230124	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M-H"	-1.007276
"522043"	566.348824	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M-H"	-1.007276
"900937"	188.111424	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-H"	-1.007276
"49483"	394.256671	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M-2H+NH4"	16.019271
"487583"	583.375371	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M-2H+NH4"	16.019271
"865748"	205.137971	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-2H+NH4"	16.019271
"36943"	399.212066	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M-2H+Na"	20.974666
"476504"	588.330766	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M-2H+Na"	20.974666
"854304"	210.093366	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-2H+Na"	20.974666
"1620551"	210.093366	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Na-2H"	20.974666
"95986"	206.099763	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M-H+Cl"	33.962126
"537010"	300.659113	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M-H+Cl"	33.962126
"929431"	111.540413	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-H+Cl"	33.962126
"268353"	413.206802	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+Cl"	34.969402
"661257"	602.325502	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+Cl"	34.969402
"1275732"	224.088102	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Cl"	34.969402
"16461"	415.186006	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M-2H+K"	36.948606
"457849"	604.304706	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M-2H+K"	36.948606
"833947"	226.067306	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-2H+K"	36.948606
"1556703"	226.067306	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+K-2H"	36.948606
"945923"	234.116894	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-H+HCOOH"	44.998194
"362439"	423.235601	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+HCOOH-H"	44.998201
"346568"	437.251251	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+Hac-H"	59.013851
"1493944"	248.132551	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Hac-H"	59.013851
"959295"	256.098851	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-H+NaCOOH"	66.980151
"110059"	224.088102	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+2Cl"	69.938804
"550434"	318.647452	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+2Cl"	69.938804
"1021909"	129.528752	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2Cl"	69.938804
"1252194"	268.037585	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Br"	78.918885
"1313547"	270.093572	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Cl+HCOOH"	80.974872
"1328126"	292.075529	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Cl+NaCOOH"	102.956829
"917726"	302.104286	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M-H+CF3COOH"	112.985586
"1292247"	338.080964	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Cl+CF3COOH"	148.962264
"1375883"	154.106024	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H-2H2O"	-35.012676
"1389006"	172.116	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H-H2O"	-17.0027
"287962"	379.244676	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+H"	1.007276
"679289"	568.363376	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+H"	1.007276
"1354908"	190.125976	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H"	1.007276
"127430"	190.125976	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+2H"	2.014552
"567725"	284.685326	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+2H"	2.014552
"1040905"	95.566626	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2H"	2.014552
"207713"	127.086409333333	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+3H"	3.021828
"653842"	190.125976	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+3H"	3.021828
"1173060"	64.0468426666667	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+3H"	3.021828
"433050"	396.271223	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+NH4"	18.033823
"798422"	585.389923	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+NH4"	18.033823
"1691471"	207.152523	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+NH4"	18.033823
"345218"	198.6392495	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+H+NH4"	19.041099
"738298"	293.1985995	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+H+NH4"	19.041099
"1492483"	104.0798995	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H+NH4"	19.041099
"408325"	401.226618	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+Na"	22.989218
"769648"	590.345318	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+Na"	22.989218
"1617903"	212.107918	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Na"	22.989218
"328671"	201.116947	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+H+Na"	23.996494
"722186"	295.676297	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+H+Na"	23.996494
"1476989"	106.557597	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H+Na"	23.996494
"1057834"	71.3741566666667	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2H+Na"	25.00377
"1260241"	222.152186	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+CH3OH+H"	33.033486
"380275"	417.200558	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+K"	38.963158
"744549"	606.319258	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+K"	38.963158
"1545507"	228.081858	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+K"	38.963158
"307056"	209.103917	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+H+K"	39.970434
"701666"	303.663267	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+H+K"	39.970434
"1456579"	114.544567	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H+K"	39.970434
"244087"	420.271226	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+ACN+H"	42.033826
"1224328"	231.152526	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+ACN+H"	42.033826
"1207236"	116.079901	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+ACN+2H"	43.041102
"201200"	423.20856	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+2Na-H"	44.97116
"636385"	612.32726	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+2Na-H"	44.97116
"1139891"	234.08986	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2Na-H"	44.97116
"182086"	212.107918	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+2Na"	45.978436
"620552"	306.667268	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+2Na"	45.978436
"1126250"	117.548568	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2Na"	45.978436
"1411960"	78.7014706666667	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H+2Na"	46.985712
"1431443"	236.131446	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H+HCOOH"	47.012746
"221258"	217.14094	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+3H2O+2H"	56.04448
"1509440"	250.18349	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+IsoProp+H"	61.06479
"410221"	220.094888	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+Na+K"	61.952376
"771582"	314.654238	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+Na+K"	61.952376
"1667184"	125.535538	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Na+K"	61.952376
"254800"	442.253168	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+ACN+Na"	64.015768
"1228966"	253.134468	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+ACN+Na"	64.015768
"1717125"	253.157993	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+NH4+HCOOH"	64.039293
"1182844"	86.0287846666667	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+3Na"	68.967654
"1655658"	258.113388	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Na+HCOOH"	68.994688
"171275"	455.15644	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+2K-H"	76.91904
"610833"	644.27514	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+2K-H"	76.91904
"1095344"	266.03774	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2K-H"	76.91904
"156294"	228.081858	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"2M+2K"	77.926316
"595007"	322.641208	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"3M+2K"	77.926316
"1083532"	133.522508	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2K"	77.926316
"1114554"	268.052292	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2K+H"	78.933592
"1346922"	268.139907	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+DMSO+H"	79.021207
"1014355"	272.179076	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2ACN+H"	83.060376
"1536502"	273.172708	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+IsoProp+Na+H"	84.054008
"1003921"	136.593176	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+2ACN+2H"	84.067652
"1602431"	274.087328	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+K+HCOOH"	84.968628
"1424563"	304.118838	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+H+CF3COOH"	115.000138
"1160317"	157.106451	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+3ACN+2H"	125.094202
"1712694"	321.145385	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+NH4+CF3COOH"	132.026685
"1647708"	326.10078	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+Na+CF3COOH"	136.98208
"1585545"	342.07472	"C11081"	"EPTC;S-Ethyl dipropylthiocarbamate"	"C9H19NOS"	"189.1187"	"M+K+CF3COOH"	152.95602
"806068"	242.2068	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M"	0
"977411"	223.18841	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-H2O-H"	-19.01839
"66748"	160.463924	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M-3H"	-3.021828
"503390"	241.199524	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M-3H"	-3.021828
"881918"	79.728324	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-3H"	-3.021828
"1591"	241.199524	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M-2H"	-2.014552
"442245"	362.302924	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M-2H"	-2.014552
"822236"	120.096124	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-2H"	-2.014552
"84415"	483.406324	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M-H"	-1.007276
"522883"	725.613124	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M-H"	-1.007276
"903963"	241.199524	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-H"	-1.007276
"48492"	500.432871	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M-2H+NH4"	16.019271
"489147"	742.639671	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M-2H+NH4"	16.019271
"865855"	258.226071	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-2H+NH4"	16.019271
"37053"	505.388266	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M-2H+Na"	20.974666
"480987"	747.595066	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M-2H+Na"	20.974666
"854414"	263.181466	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-2H+Na"	20.974666
"1619205"	263.181466	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Na-2H"	20.974666
"94760"	259.187863	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M-H+Cl"	33.962126
"534485"	380.291263	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M-H+Cl"	33.962126
"928448"	138.084463	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-H+Cl"	33.962126
"269558"	519.383002	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+Cl"	34.969402
"660277"	761.589802	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+Cl"	34.969402
"1275842"	277.176202	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Cl"	34.969402
"15961"	521.362206	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M-2H+K"	36.948606
"456865"	763.569006	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M-2H+K"	36.948606
"833000"	279.155406	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-2H+K"	36.948606
"1556572"	279.155406	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+K-2H"	36.948606
"944941"	287.204994	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-H+HCOOH"	44.998194
"361468"	529.411801	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+HCOOH-H"	44.998201
"346314"	543.427451	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+Hac-H"	59.013851
"1494055"	301.220651	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Hac-H"	59.013851
"958720"	309.186951	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-H+NaCOOH"	66.980151
"110414"	277.176202	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+2Cl"	69.938804
"551883"	398.279602	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+2Cl"	69.938804
"1022871"	156.072802	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2Cl"	69.938804
"1253397"	321.125685	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Br"	78.918885
"1315844"	323.181672	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Cl+HCOOH"	80.974872
"1326779"	345.163629	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Cl+NaCOOH"	102.956829
"920024"	355.192386	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M-H+CF3COOH"	112.985586
"1291993"	391.169064	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Cl+CF3COOH"	148.962264
"1377086"	207.194124	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H-2H2O"	-35.012676
"1387293"	225.2041	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H-H2O"	-17.0027
"285885"	485.420876	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+H"	1.007276
"677575"	727.627676	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+H"	1.007276
"1352102"	243.214076	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H"	1.007276
"126809"	243.214076	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+2H"	2.014552
"568199"	364.317476	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+2H"	2.014552
"1042108"	122.110676	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2H"	2.014552
"210011"	162.478476	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+3H"	3.021828
"658691"	243.214076	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+3H"	3.021828
"1173170"	81.742876	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+3H"	3.021828
"433161"	502.447423	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+NH4"	18.033823
"798532"	744.654223	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+NH4"	18.033823
"1690488"	260.240623	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+NH4"	18.033823
"340952"	251.7273495	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+H+NH4"	19.041099
"738126"	372.8307495	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+H+NH4"	19.041099
"1491570"	130.6239495	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H+NH4"	19.041099
"408320"	507.402818	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+Na"	22.989218
"768585"	749.609618	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+Na"	22.989218
"1618224"	265.196018	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Na"	22.989218
"329880"	254.205047	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+H+Na"	23.996494
"722752"	375.308447	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+H+Na"	23.996494
"1476473"	133.101647	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H+Na"	23.996494
"1065235"	89.07019	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2H+Na"	25.00377
"1260716"	275.240286	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+CH3OH+H"	33.033486
"382572"	523.376758	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+K"	38.963158
"743565"	765.583558	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+K"	38.963158
"1546713"	281.169958	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+K"	38.963158
"308261"	262.192017	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+H+K"	39.970434
"705423"	383.295417	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+H+K"	39.970434
"1458875"	141.088617	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H+K"	39.970434
"246383"	526.447426	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+ACN+H"	42.033826
"1223831"	284.240626	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+ACN+H"	42.033826
"1209532"	142.623951	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+ACN+2H"	43.041102
"201309"	529.38476	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+2Na-H"	44.97116
"636495"	771.59156	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+2Na-H"	44.97116
"1137814"	287.17796	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2Na-H"	44.97116
"180010"	265.196018	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+2Na"	45.978436
"619569"	386.299418	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+2Na"	45.978436
"1125266"	144.092618	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2Na"	45.978436
"1410977"	96.397504	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H+2Na"	46.985712
"1430459"	289.219546	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H+HCOOH"	47.012746
"220882"	270.22904	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+3H2O+2H"	56.04448
"1508944"	303.27159	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+IsoProp+H"	61.06479
"409600"	273.182988	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+Na+K"	61.952376
"770964"	394.286388	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+Na+K"	61.952376
"1668023"	152.079588	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Na+K"	61.952376
"253817"	548.429368	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+ACN+Na"	64.015768
"1229076"	306.222568	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+ACN+Na"	64.015768
"1716504"	306.246093	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+NH4+HCOOH"	64.039293
"1181859"	103.724818	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+3Na"	68.967654
"1653214"	311.201488	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Na+HCOOH"	68.994688
"171382"	561.33264	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+2K-H"	76.91904
"612036"	803.53944	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+2K-H"	76.91904
"1096547"	319.12584	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2K-H"	76.91904
"153365"	281.169958	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"2M+2K"	77.926316
"596861"	402.273358	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"3M+2K"	77.926316
"1083637"	160.066558	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2K"	77.926316
"1110648"	321.140392	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2K+H"	78.933592
"1343751"	321.228007	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+DMSO+H"	79.021207
"1014465"	325.267176	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2ACN+H"	83.060376
"1537222"	326.260808	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+IsoProp+Na+H"	84.054008
"1004760"	163.137226	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+2ACN+2H"	84.067652
"1599013"	327.175428	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+K+HCOOH"	84.968628
"1424670"	357.206938	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+H+CF3COOH"	115.000138
"1158240"	183.650501	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+3ACN+2H"	125.094202
"1711439"	374.233485	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+NH4+CF3COOH"	132.026685
"1647818"	379.18888	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+Na+CF3COOH"	136.98208
"1585655"	395.16282	"C11082"	"2-N-Undecyltetrahydrothiophene;UTHT"	"C15H30S"	"242.2068"	"M+K+CF3COOH"	152.95602
"806179"	253.1137	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M"	0
"979713"	234.09531	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-H2O-H"	-19.01839
"64673"	167.735190666667	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M-3H"	-3.021828
"505324"	252.106424	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M-3H"	-3.021828
"887504"	83.3639573333333	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-3H"	-3.021828
"1703"	252.106424	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M-2H"	-2.014552
"442724"	378.663274	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M-2H"	-2.014552
"819432"	125.549574	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-2H"	-2.014552
"82338"	505.220124	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M-H"	-1.007276
"523357"	758.333824	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M-H"	-1.007276
"897509"	252.106424	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-H"	-1.007276
"49575"	522.246671	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M-2H+NH4"	16.019271
"490358"	775.360371	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M-2H+NH4"	16.019271
"869264"	269.132971	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-2H+NH4"	16.019271
"32789"	527.202066	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M-2H+Na"	20.974666
"473442"	780.315766	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M-2H+Na"	20.974666
"849416"	274.088366	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-2H+Na"	20.974666
"1619684"	274.088366	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Na-2H"	20.974666
"98402"	270.094763	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M-H+Cl"	33.962126
"539055"	396.651613	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M-H+Cl"	33.962126
"932573"	143.537913	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-H+Cl"	33.962126
"270035"	541.196802	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+Cl"	34.969402
"665737"	794.310502	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+Cl"	34.969402
"1274860"	288.083102	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Cl"	34.969402
"17416"	543.176006	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M-2H+K"	36.948606
"456204"	796.289706	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M-2H+K"	36.948606
"834779"	290.062306	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-2H+K"	36.948606
"1555990"	290.062306	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+K-2H"	36.948606
"945050"	298.111894	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-H+HCOOH"	44.998194
"361591"	551.225601	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+HCOOH-H"	44.998201
"347886"	565.241251	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+Hac-H"	59.013851
"1493439"	312.127551	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Hac-H"	59.013851
"958500"	320.093851	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-H+NaCOOH"	66.980151
"110010"	288.083102	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+2Cl"	69.938804
"553459"	414.639952	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+2Cl"	69.938804
"1030650"	161.526252	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2Cl"	69.938804
"1246581"	332.032585	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Br"	78.918885
"1311581"	334.088572	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Cl+HCOOH"	80.974872
"1320693"	356.070529	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Cl+NaCOOH"	102.956829
"913939"	366.099286	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M-H+CF3COOH"	112.985586
"1294661"	402.075964	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Cl+CF3COOH"	148.962264
"1373917"	218.101024	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H-2H2O"	-35.012676
"1387039"	236.111	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H-H2O"	-17.0027
"283926"	507.234676	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+H"	1.007276
"676342"	760.348376	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+H"	1.007276
"1351968"	254.120976	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H"	1.007276
"126929"	254.120976	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+2H"	2.014552
"566123"	380.677826	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+2H"	2.014552
"1038205"	127.564126	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2H"	2.014552
"219935"	169.749742666667	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+3H"	3.021828
"659777"	254.120976	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+3H"	3.021828
"1178021"	85.3785093333333	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+3H"	3.021828
"437648"	524.261223	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+NH4"	18.033823
"799005"	777.374923	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+NH4"	18.033823
"1689502"	271.147523	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+NH4"	18.033823
"345086"	262.6342495	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+H+NH4"	19.041099
"737866"	389.1910995	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+H+NH4"	19.041099
"1492504"	136.0773995	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H+NH4"	19.041099
"408386"	529.216618	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+Na"	22.989218
"769873"	782.330318	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+Na"	22.989218
"1618288"	276.102918	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Na"	22.989218
"328161"	265.111947	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+H+Na"	23.996494
"721429"	391.668797	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+H+Na"	23.996494
"1472464"	138.555097	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H+Na"	23.996494
"1062429"	92.7058233333333	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2H+Na"	25.00377
"1261920"	286.147186	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+CH3OH+H"	33.033486
"384869"	545.190558	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+K"	38.963158
"744771"	798.304258	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+K"	38.963158
"1549010"	292.076858	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+K"	38.963158
"308370"	273.098917	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+H+K"	39.970434
"700790"	399.655767	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+H+K"	39.970434
"1455707"	146.542067	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H+K"	39.970434
"245400"	548.261226	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+ACN+H"	42.033826
"1220296"	295.147526	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+ACN+H"	42.033826
"1205273"	148.077401	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+ACN+2H"	43.041102
"200328"	551.19856	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+2Na-H"	44.97116
"637700"	804.31226	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+2Na-H"	44.97116
"1134642"	298.08486	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2Na-H"	44.97116
"176110"	276.102918	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+2Na"	45.978436
"622603"	402.659768	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+2Na"	45.978436
"1125378"	149.546068	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2Na"	45.978436
"1403074"	100.033137333333	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H+2Na"	46.985712
"1430815"	300.126446	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H+HCOOH"	47.012746
"223062"	281.13594	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+3H2O+2H"	56.04448
"1512219"	314.17849	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+IsoProp+H"	61.06479
"409109"	284.089888	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+Na+K"	61.952376
"770710"	410.646738	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+Na+K"	61.952376
"1666677"	157.533038	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Na+K"	61.952376
"252468"	570.243168	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+ACN+Na"	64.015768
"1227729"	317.129468	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+ACN+Na"	64.015768
"1718443"	317.152993	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+NH4+HCOOH"	64.039293
"1189267"	107.360451333333	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+3Na"	68.967654
"1661352"	322.108388	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Na+HCOOH"	68.994688
"169307"	583.14644	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+2K-H"	76.91904
"609961"	836.26014	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+2K-H"	76.91904
"1096660"	330.03274	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2K-H"	76.91904
"156153"	292.076858	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"2M+2K"	77.926316
"596199"	418.633708	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"3M+2K"	77.926316
"1082175"	165.520008	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2K"	77.926316
"1115499"	332.047292	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2K+H"	78.933592
"1347143"	332.134907	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+DMSO+H"	79.021207
"1020780"	336.174076	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2ACN+H"	83.060376
"1537939"	337.167708	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+IsoProp+Na+H"	84.054008
"1004623"	168.590676	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+2ACN+2H"	84.067652
"1600216"	338.082328	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+K+HCOOH"	84.968628
"1429867"	368.113838	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+H+CF3COOH"	115.000138
"1161998"	189.103951	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+3ACN+2H"	125.094202
"1712278"	385.140385	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+NH4+CF3COOH"	132.026685
"1644648"	390.09578	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+Na+CF3COOH"	136.98208
"1585766"	406.06972	"C11084"	"Fenothiocarb"	"C13H19NO2S"	"253.1137"	"M+K+CF3COOH"	152.95602
"813945"	269.1086	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M"	0
"983103"	250.09021	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-H2O-H"	-19.01839
"66971"	178.398457333333	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M-3H"	-3.021828
"505435"	268.101324	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M-3H"	-3.021828
"889802"	88.6955906666667	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-3H"	-3.021828
"8376"	268.101324	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M-2H"	-2.014552
"452314"	402.655624	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M-2H"	-2.014552
"823552"	133.547024	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-2H"	-2.014552
"84998"	537.209924	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M-H"	-1.007276
"523466"	806.318524	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M-H"	-1.007276
"899446"	268.101324	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-H"	-1.007276
"49081"	554.236471	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M-2H+NH4"	16.019271
"490832"	823.345071	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M-2H+NH4"	16.019271
"869373"	285.127871	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-2H+NH4"	16.019271
"33263"	559.191866	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M-2H+Na"	20.974666
"474280"	828.300466	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M-2H+Na"	20.974666
"850984"	290.083266	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-2H+Na"	20.974666
"1625263"	290.083266	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Na-2H"	20.974666
"98512"	286.089663	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M-H+Cl"	33.962126
"542446"	420.643963	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M-H+Cl"	33.962126
"928310"	151.535363	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-H+Cl"	33.962126
"271240"	573.186602	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+Cl"	34.969402
"661474"	842.295202	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+Cl"	34.969402
"1273267"	304.078002	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Cl"	34.969402
"18619"	575.165806	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M-2H+K"	36.948606
"461461"	844.274406	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M-2H+K"	36.948606
"838169"	306.057206	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-2H+K"	36.948606
"1558376"	306.057206	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+K-2H"	36.948606
"943258"	314.106794	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-H+HCOOH"	44.998194
"361566"	583.215401	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+HCOOH-H"	44.998201
"351280"	597.231051	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+Hac-H"	59.013851
"1496832"	328.122451	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Hac-H"	59.013851
"959997"	336.088751	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-H+NaCOOH"	66.980151
"110363"	304.078002	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+2Cl"	69.938804
"553569"	438.632302	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+2Cl"	69.938804
"1022734"	169.523702	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2Cl"	69.938804
"1246323"	348.027485	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Br"	78.918885
"1311693"	350.083472	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Cl+HCOOH"	80.974872
"1322991"	372.065429	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Cl+NaCOOH"	102.956829
"914049"	382.094186	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M-H+CF3COOH"	112.985586
"1300241"	418.070864	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Cl+CF3COOH"	148.962264
"1374029"	234.095924	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H-2H2O"	-35.012676
"1390430"	252.1059	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H-H2O"	-17.0027
"287930"	539.224476	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+H"	1.007276
"681444"	808.333076	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+H"	1.007276
"1351955"	270.115876	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H"	1.007276
"130322"	270.115876	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+2H"	2.014552
"570249"	404.670176	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+2H"	2.014552
"1038680"	135.561576	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2H"	2.014552
"218627"	180.413009333333	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+3H"	3.021828
"659563"	270.115876	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+3H"	3.021828
"1177767"	90.7101426666667	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+3H"	3.021828
"438122"	556.251023	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+NH4"	18.033823
"795470"	825.359623	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+NH4"	18.033823
"1687426"	287.142423	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+NH4"	18.033823
"344699"	278.6291495	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+H+NH4"	19.041099
"737488"	413.1834495	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+H+NH4"	19.041099
"1490705"	144.0748495	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H+NH4"	19.041099
"407565"	561.206418	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+Na"	22.989218
"769044"	830.315018	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+Na"	22.989218
"1617506"	292.097818	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Na"	22.989218
"328393"	281.106847	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+H+Na"	23.996494
"720931"	415.661147	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+H+Na"	23.996494
"1473668"	146.552547	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H+Na"	23.996494
"1057072"	98.0374566666667	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2H+Na"	25.00377
"1260937"	302.142086	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+CH3OH+H"	33.033486
"380606"	577.180358	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+K"	38.963158
"744881"	846.288958	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+K"	38.963158
"1549119"	308.071758	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+K"	38.963158
"309572"	289.093817	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+H+K"	39.970434
"700900"	423.648117	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+H+K"	39.970434
"1456906"	154.539517	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H+K"	39.970434
"245510"	580.251026	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+ACN+H"	42.033826
"1221498"	311.142426	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+ACN+H"	42.033826
"1206474"	156.074851	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+ACN+2H"	43.041102
"199346"	583.18836	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+2Na-H"	44.97116
"640728"	852.29696	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+2Na-H"	44.97116
"1141316"	314.07976	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2Na-H"	44.97116
"179138"	292.097818	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+2Na"	45.978436
"621985"	426.652118	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+2Na"	45.978436
"1124395"	157.543518	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2Na"	45.978436
"1400998"	105.364770666667	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H+2Na"	46.985712
"1431288"	316.121346	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H+HCOOH"	47.012746
"223538"	297.13084	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+3H2O+2H"	56.04448
"1512694"	330.17339	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+IsoProp+H"	61.06479
"412745"	300.084788	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+Na+K"	61.952376
"770938"	434.639088	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+Na+K"	61.952376
"1666014"	165.530488	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Na+K"	61.952376
"253674"	602.232968	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+ACN+Na"	64.015768
"1228571"	333.124368	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+ACN+Na"	64.015768
"1718553"	333.147893	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+NH4+HCOOH"	64.039293
"1186096"	112.692084666667	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+3Na"	68.967654
"1661462"	338.103288	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Na+HCOOH"	68.994688
"169418"	615.13624	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+2K-H"	76.91904
"608977"	884.24484	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+2K-H"	76.91904
"1096770"	346.02764	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2K-H"	76.91904
"154319"	308.071758	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"2M+2K"	77.926316
"595340"	442.626058	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"3M+2K"	77.926316
"1080946"	173.517458	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2K"	77.926316
"1113060"	348.042192	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2K+H"	78.933592
"1350538"	348.129807	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+DMSO+H"	79.021207
"1019921"	352.168976	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2ACN+H"	83.060376
"1536833"	353.162608	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+IsoProp+Na+H"	84.054008
"1004007"	176.588126	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+2ACN+2H"	84.067652
"1600330"	354.077228	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+K+HCOOH"	84.968628
"1428176"	384.108738	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+H+CF3COOH"	115.000138
"1162716"	197.101401	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+3ACN+2H"	125.094202
"1706921"	401.135285	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+NH4+CF3COOH"	132.026685
"1646944"	406.09068	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+Na+CF3COOH"	136.98208
"1585876"	422.06462	"C11085"	"Fenothiocarb sulfoxide"	"C13H19NO3S"	"269.1086"	"M+K+CF3COOH"	152.95602
"815147"	187.1031	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M"	0
"987589"	168.08471	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-H2O-H"	-19.01839
"75829"	123.728124	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M-3H"	-3.021828
"505547"	186.095824	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M-3H"	-3.021828
"891005"	61.360424	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-3H"	-3.021828
"8486"	186.095824	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M-2H"	-2.014552
"454610"	279.647374	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M-2H"	-2.014552
"822569"	92.544274	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-2H"	-2.014552
"82559"	373.198924	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M-H"	-1.007276
"524306"	560.302024	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M-H"	-1.007276
"897369"	186.095824	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-H"	-1.007276
"48826"	390.225471	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M-2H+NH4"	16.019271
"490214"	577.328571	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M-2H+NH4"	16.019271
"871671"	203.122371	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-2H+NH4"	16.019271
"39570"	395.180866	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M-2H+Na"	20.974666
"473662"	582.283966	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M-2H+Na"	20.974666
"854746"	208.077766	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-2H+Na"	20.974666
"1630841"	208.077766	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Na-2H"	20.974666
"98622"	204.084163	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M-H+Cl"	33.962126
"539275"	297.635713	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M-H+Cl"	33.962126
"939355"	110.532613	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-H+Cl"	33.962126
"274630"	409.175602	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+Cl"	34.969402
"665960"	596.278702	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+Cl"	34.969402
"1277268"	222.072502	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Cl"	34.969402
"18729"	411.154806	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M-2H+K"	36.948606
"464851"	598.257906	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M-2H+K"	36.948606
"839374"	224.051706	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-2H+K"	36.948606
"1558486"	224.051706	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+K-2H"	36.948606
"943085"	232.101294	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-H+HCOOH"	44.998194
"361457"	419.204401	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+HCOOH-H"	44.998201
"353943"	433.220051	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+Hac-H"	59.013851
"1499129"	246.116951	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Hac-H"	59.013851
"961931"	254.083251	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-H+NaCOOH"	66.980151
"113389"	222.072502	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+2Cl"	69.938804
"553680"	315.624052	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+2Cl"	69.938804
"1022477"	128.520952	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2Cl"	69.938804
"1243880"	266.021985	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Br"	78.918885
"1308520"	268.077972	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Cl+HCOOH"	80.974872
"1320181"	290.059929	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Cl+NaCOOH"	102.956829
"913429"	300.088686	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M-H+CF3COOH"	112.985586
"1294518"	336.065364	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Cl+CF3COOH"	148.962264
"1377420"	152.090424	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H-2H2O"	-35.012676
"1389449"	170.1004	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H-H2O"	-17.0027
"289135"	375.213476	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+H"	1.007276
"681555"	562.316576	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+H"	1.007276
"1352430"	188.110376	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H"	1.007276
"132985"	188.110376	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+2H"	2.014552
"571451"	281.661926	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+2H"	2.014552
"1039519"	94.558826	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2H"	2.014552
"219228"	125.742676	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+3H"	3.021828
"659153"	188.110376	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+3H"	3.021828
"1178006"	63.374976	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+3H"	3.021828
"439659"	392.240023	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+NH4"	18.033823
"801318"	579.343123	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+NH4"	18.033823
"1688629"	205.136923	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+NH4"	18.033823
"341283"	196.6236495	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+H+NH4"	19.041099
"731516"	290.1751995	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+H+NH4"	19.041099
"1492157"	103.0720995	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H+NH4"	19.041099
"407190"	397.195418	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+Na"	22.989218
"769160"	584.298518	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+Na"	22.989218
"1617375"	210.092318	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Na"	22.989218
"328871"	199.101347	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+H+Na"	23.996494
"722180"	292.652897	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+H+Na"	23.996494
"1464662"	105.549797	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H+Na"	23.996494
"1055357"	70.70229	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2H+Na"	25.00377
"1262140"	220.136586	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+CH3OH+H"	33.033486
"382902"	413.169358	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+K"	38.963158
"749361"	600.272458	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+K"	38.963158
"1551416"	226.066258	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+K"	38.963158
"311869"	207.088317	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+H+K"	39.970434
"702104"	300.639867	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+H+K"	39.970434
"1458111"	113.536767	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H+K"	39.970434
"244528"	416.240026	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+ACN+H"	42.033826
"1223432"	229.136926	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+ACN+H"	42.033826
"1207679"	115.072101	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+ACN+2H"	43.041102
"202010"	419.17736	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+2Na-H"	44.97116
"642903"	606.28046	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+2Na-H"	44.97116
"1141426"	232.07426	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2Na-H"	44.97116
"180341"	210.092318	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+2Na"	45.978436
"623190"	303.643868	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+2Na"	45.978436
"1125601"	116.540768	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2Na"	45.978436
"1401108"	78.029604	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H+2Na"	46.985712
"1433223"	234.115846	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H+HCOOH"	47.012746
"223648"	215.12534	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+3H2O+2H"	56.04448
"1512804"	248.16789	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+IsoProp+H"	61.06479
"413220"	218.079288	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+Na+K"	61.952376
"770602"	311.630838	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+Na+K"	61.952376
"1665959"	124.527738	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Na+K"	61.952376
"252118"	438.221968	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+ACN+Na"	64.015768
"1226857"	251.118868	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+ACN+Na"	64.015768
"1716477"	251.142393	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+NH4+HCOOH"	64.039293
"1185113"	85.356918	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+3Na"	68.967654
"1664853"	256.097788	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Na+HCOOH"	68.994688
"170989"	451.12524	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+2K-H"	76.91904
"610551"	638.22834	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+2K-H"	76.91904
"1099190"	264.02214	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2K-H"	76.91904
"153702"	226.066258	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"2M+2K"	77.926316
"591443"	319.617808	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"3M+2K"	77.926316
"1079965"	132.514708	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2K"	77.926316
"1111715"	266.036692	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2K+H"	78.933592
"1350039"	266.124307	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+DMSO+H"	79.021207
"1019423"	270.163476	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2ACN+H"	83.060376
"1536579"	271.157108	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+IsoProp+Na+H"	84.054008
"1003388"	135.585376	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+2ACN+2H"	84.067652
"1600806"	272.071728	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+K+HCOOH"	84.968628
"1427194"	302.103238	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+H+CF3COOH"	115.000138
"1162462"	156.098651	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+3ACN+2H"	125.094202
"1712339"	319.129785	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+NH4+CF3COOH"	132.026685
"1648878"	324.08518	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+Na+CF3COOH"	136.98208
"1585986"	340.05912	"C11086"	"Molinate;Ordram"	"C9H17NOS"	"187.1031"	"M+K+CF3COOH"	152.95602
"806509"	257.0641	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M"	0
"980043"	238.04571	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-H2O-H"	-19.01839
"67190"	170.368790666667	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M-3H"	-3.021828
"505654"	256.056824	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M-3H"	-3.021828
"891115"	84.6807573333333	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-3H"	-3.021828
"2035"	256.056824	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M-2H"	-2.014552
"453627"	384.588874	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M-2H"	-2.014552
"822679"	127.524774	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-2H"	-2.014552
"81576"	513.120924	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M-H"	-1.007276
"521500"	770.185024	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M-H"	-1.007276
"896381"	256.056824	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-H"	-1.007276
"47720"	530.147471	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M-2H+NH4"	16.019271
"488866"	787.211571	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M-2H+NH4"	16.019271
"871781"	273.083371	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-2H+NH4"	16.019271
"36400"	535.102866	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M-2H+Na"	20.974666
"473772"	792.166966	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M-2H+Na"	20.974666
"854856"	278.038766	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-2H+Na"	20.974666
"1632044"	278.038766	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Na-2H"	20.974666
"98732"	274.045163	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M-H+Cl"	33.962126
"536105"	402.577213	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M-H+Cl"	33.962126
"936185"	145.513113	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-H+Cl"	33.962126
"271460"	549.097602	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+Cl"	34.969402
"666070"	806.161702	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+Cl"	34.969402
"1276285"	292.033502	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Cl"	34.969402
"17745"	551.076806	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M-2H+K"	36.948606
"463868"	808.140906	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M-2H+K"	36.948606
"838391"	294.012706	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-2H+K"	36.948606
"1556409"	294.012706	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+K-2H"	36.948606
"943317"	302.062294	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-H+HCOOH"	44.998194
"361510"	559.126401	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+HCOOH-H"	44.998201
"355146"	573.142051	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+Hac-H"	59.013851
"1501061"	316.077951	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Hac-H"	59.013851
"962041"	324.044251	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-H+NaCOOH"	66.980151
"113499"	292.033502	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+2Cl"	69.938804
"554883"	420.565552	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+2Cl"	69.938804
"1024409"	163.501452	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2Cl"	69.938804
"1246905"	335.982985	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Br"	78.918885
"1307535"	338.038972	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Cl+HCOOH"	80.974872
"1321021"	360.020929	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Cl+NaCOOH"	102.956829
"913539"	370.049686	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M-H+CF3COOH"	112.985586
"1297179"	406.026364	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Cl+CF3COOH"	148.962264
"1375344"	222.051424	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H-2H2O"	-35.012676
"1392474"	240.0614	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H-H2O"	-17.0027
"288151"	515.135476	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+H"	1.007276
"682758"	772.199576	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+H"	1.007276
"1351487"	258.071376	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H"	1.007276
"133094"	258.071376	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+2H"	2.014552
"572654"	386.603426	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+2H"	2.014552
"1037561"	129.539326	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2H"	2.014552
"219217"	172.383342666667	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+3H"	3.021828
"659623"	258.071376	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+3H"	3.021828
"1178160"	86.6953093333333	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+3H"	3.021828
"439684"	532.162023	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+NH4"	18.033823
"800431"	789.226123	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+NH4"	18.033823
"1692018"	275.097923	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+NH4"	18.033823
"339202"	266.5846495	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+H+NH4"	19.041099
"732719"	395.1166995	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+H+NH4"	19.041099
"1492346"	138.0525995	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H+NH4"	19.041099
"407784"	537.117418	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+Na"	22.989218
"768416"	794.181518	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+Na"	22.989218
"1617241"	280.053318	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Na"	22.989218
"329346"	269.062347	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+H+Na"	23.996494
"722248"	397.594397	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+H+Na"	23.996494
"1467324"	140.530297	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H+Na"	23.996494
"1055102"	94.0226233333333	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2H+Na"	25.00377
"1266621"	290.097586	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+CH3OH+H"	33.033486
"386291"	553.091358	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+K"	38.963158
"749472"	810.155458	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+K"	38.963158
"1550433"	296.027258	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+K"	38.963158
"308699"	277.049317	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+H+K"	39.970434
"702214"	405.581367	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+H+K"	39.970434
"1458221"	148.517267	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H+K"	39.970434
"246460"	556.162026	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+ACN+H"	42.033826
"1222084"	299.097926	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+ACN+H"	42.033826
"1206331"	150.052601	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+ACN+2H"	43.041102
"200663"	559.09936	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+2Na-H"	44.97116
"642408"	816.16346	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+2Na-H"	44.97116
"1141536"	302.03526	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2Na-H"	44.97116
"180451"	280.053318	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+2Na"	45.978436
"622204"	408.585368	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+2Na"	45.978436
"1127533"	151.521268	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2Na"	45.978436
"1401217"	101.349937333333	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H+2Na"	46.985712
"1434426"	304.076846	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H+HCOOH"	47.012746
"224487"	285.08634	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+3H2O+2H"	56.04448
"1509264"	318.12889	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+IsoProp+H"	61.06479
"409074"	288.040288	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+Na+K"	61.952376
"771037"	416.572338	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+Na+K"	61.952376
"1666029"	159.508238	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Na+K"	61.952376
"251456"	578.143968	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+ACN+Na"	64.015768
"1227697"	321.079868	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+ACN+Na"	64.015768
"1718773"	321.103393	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+NH4+HCOOH"	64.039293
"1187409"	108.677251333333	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+3Na"	68.967654
"1665206"	326.058788	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Na+HCOOH"	68.994688
"171096"	591.04724	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+2K-H"	76.91904
"611389"	848.11134	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+2K-H"	76.91904
"1099771"	333.98314	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2K-H"	76.91904
"155271"	296.027258	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"2M+2K"	77.926316
"594711"	424.559308	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"3M+2K"	77.926316
"1082259"	167.495208	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2K"	77.926316
"1114620"	335.997692	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2K+H"	78.933592
"1350512"	336.085307	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+DMSO+H"	79.021207
"1020016"	340.124476	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2ACN+H"	83.060376
"1537414"	341.118108	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+IsoProp+Na+H"	84.054008
"1004227"	170.565876	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+2ACN+2H"	84.067652
"1601645"	342.032728	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+K+HCOOH"	84.968628
"1428033"	372.064238	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+H+CF3COOH"	115.000138
"1161234"	191.079151	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+3ACN+2H"	125.094202
"1712246"	389.090785	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+NH4+CF3COOH"	132.026685
"1648259"	394.04618	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+Na+CF3COOH"	136.98208
"1586096"	410.02012	"C11087"	"Orbencarb"	"C12H16ClNOS"	"257.0641"	"M+K+CF3COOH"	152.95602
"806619"	185.868	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M"	0
"980153"	166.84961	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-H2O-H"	-19.01839
"67300"	122.904724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M-3H"	-3.021828
"505764"	184.860724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M-3H"	-3.021828
"889039"	60.948724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-3H"	-3.021828
"5424"	184.860724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M-2H"	-2.014552
"450458"	277.794724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M-2H"	-2.014552
"822789"	91.926724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-2H"	-2.014552
"83873"	370.728724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M-H"	-1.007276
"524526"	556.596724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M-H"	-1.007276
"902327"	184.860724	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-H"	-1.007276
"52330"	387.755271	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M-2H+NH4"	16.019271
"489340"	573.623271	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M-2H+NH4"	16.019271
"874077"	201.887271	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-2H+NH4"	16.019271
"36510"	392.710666	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M-2H+Na"	20.974666
"477162"	578.578666	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M-2H+Na"	20.974666
"854966"	206.842666	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-2H+Na"	20.974666
"1631061"	206.842666	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Na-2H"	20.974666
"98842"	202.849063	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M-H+Cl"	33.962126
"537308"	295.783063	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M-H+Cl"	33.962126
"934107"	109.915063	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-H+Cl"	33.962126
"271570"	406.705402	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+Cl"	34.969402
"666180"	592.573402	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+Cl"	34.969402
"1276395"	220.837402	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Cl"	34.969402
"17855"	408.684606	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M-2H+K"	36.948606
"461792"	594.552606	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M-2H+K"	36.948606
"839594"	222.816606	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-2H+K"	36.948606
"1559798"	222.816606	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+K-2H"	36.948606
"944034"	230.866194	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-H+HCOOH"	44.998194
"361540"	416.734201	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+HCOOH-H"	44.998201
"354163"	430.749851	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+Hac-H"	59.013851
"1500807"	244.881851	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Hac-H"	59.013851
"962515"	252.848151	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-H+NaCOOH"	66.980151
"112516"	220.837402	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+2Cl"	69.938804
"554993"	313.771402	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+2Cl"	69.938804
"1023790"	127.903402	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2Cl"	69.938804
"1246287"	264.786885	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Br"	78.918885
"1307645"	266.842872	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Cl+HCOOH"	80.974872
"1320767"	288.824829	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Cl+NaCOOH"	102.956829
"914014"	298.853586	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M-H+CF3COOH"	112.985586
"1297289"	334.830264	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Cl+CF3COOH"	148.962264
"1375454"	150.855324	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H-2H2O"	-35.012676
"1391855"	168.8653	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H-H2O"	-17.0027
"288261"	372.743276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+H"	1.007276
"682868"	558.611276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+H"	1.007276
"1351596"	186.875276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H"	1.007276
"127737"	186.875276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+2H"	2.014552
"571671"	279.809276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+2H"	2.014552
"1037278"	93.941276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2H"	2.014552
"212382"	124.919276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+3H"	3.021828
"658883"	186.875276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+3H"	3.021828
"1178452"	62.963276	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+3H"	3.021828
"439907"	389.769823	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+NH4"	18.033823
"799446"	575.637823	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+NH4"	18.033823
"1691035"	203.901823	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+NH4"	18.033823
"340404"	195.3885495	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+H+NH4"	19.041099
"732829"	288.3225495	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+H+NH4"	19.041099
"1492664"	102.4545495	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H+NH4"	19.041099
"408407"	394.725218	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+Na"	22.989218
"769741"	580.593218	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+Na"	22.989218
"1617349"	208.857218	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Na"	22.989218
"329698"	197.866247	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+H+Na"	23.996494
"722672"	290.800247	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+H+Na"	23.996494
"1473997"	104.932247	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H+Na"	23.996494
"1059586"	70.29059	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2H+Na"	25.00377
"1264546"	218.901486	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+CH3OH+H"	33.033486
"386400"	410.699158	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+K"	38.963158
"750312"	596.567158	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+K"	38.963158
"1552730"	224.831158	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+K"	38.963158
"308810"	205.853217	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+H+K"	39.970434
"701231"	298.787217	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+H+K"	39.970434
"1457237"	112.919217	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H+K"	39.970434
"244748"	413.769826	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+ACN+H"	42.033826
"1222559"	227.901826	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+ACN+H"	42.033826
"1207535"	114.454551	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+ACN+2H"	43.041102
"201136"	416.70716	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+2Na-H"	44.97116
"642517"	602.57516	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+2Na-H"	44.97116
"1141646"	230.83916	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2Na-H"	44.97116
"180561"	208.857218	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+2Na"	45.978436
"622314"	301.791218	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+2Na"	45.978436
"1126185"	115.923218	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2Na"	45.978436
"1399016"	77.617904	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H+2Na"	46.985712
"1429949"	232.880746	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H+HCOOH"	47.012746
"220176"	213.89024	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+3H2O+2H"	56.04448
"1508768"	246.93279	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+IsoProp+H"	61.06479
"409063"	216.844188	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+Na+K"	61.952376
"770050"	309.778188	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+Na+K"	61.952376
"1666098"	123.910188	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Na+K"	61.952376
"251890"	435.751768	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+ACN+Na"	64.015768
"1227807"	249.883768	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+ACN+Na"	64.015768
"1714018"	249.907293	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+NH4+HCOOH"	64.039293
"1184238"	84.945218	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+3Na"	68.967654
"1663977"	254.862688	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Na+HCOOH"	68.994688
"169748"	448.65504	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+2K-H"	76.91904
"612309"	634.52304	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+2K-H"	76.91904
"1096004"	262.78704	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2K-H"	76.91904
"156107"	224.831158	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"2M+2K"	77.926316
"595669"	317.765158	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"3M+2K"	77.926316
"1080909"	131.897158	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2K"	77.926316
"1115253"	264.801592	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2K+H"	78.933592
"1348676"	264.889207	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+DMSO+H"	79.021207
"1017206"	268.928376	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2ACN+H"	83.060376
"1538254"	269.922008	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+IsoProp+Na+H"	84.054008
"1004337"	134.967826	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+2ACN+2H"	84.067652
"1601633"	270.836628	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+K+HCOOH"	84.968628
"1429237"	300.868138	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+H+CF3COOH"	115.000138
"1161708"	155.481101	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+3ACN+2H"	125.094202
"1712600"	317.894685	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+NH4+CF3COOH"	132.026685
"1649098"	322.85008	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+Na+CF3COOH"	136.98208
"1586206"	338.82402	"C11088"	"12-Dibromoethane;Ethylene dibromide"	"C2H4Br2"	"185.868"	"M+K+CF3COOH"	152.95602
"806729"	93.9377	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M"	0
"980263"	74.91931	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-H2O-H"	-19.01839
"67410"	61.6178573333333	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M-3H"	-3.021828
"509154"	92.930424	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M-3H"	-3.021828
"889149"	30.3052906666667	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-3H"	-3.021828
"3348"	92.930424	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M-2H"	-2.014552
"452753"	139.899274	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M-2H"	-2.014552
"822899"	45.961574	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-2H"	-2.014552
"85076"	186.868124	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M-H"	-1.007276
"524637"	280.805824	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M-H"	-1.007276
"901346"	92.930424	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-H"	-1.007276
"56814"	203.894671	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M-2H+NH4"	16.019271
"496373"	297.832371	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M-2H+NH4"	16.019271
"874188"	109.956971	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-2H+NH4"	16.019271
"43914"	208.850066	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M-2H+Na"	20.974666
"483834"	302.787766	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M-2H+Na"	20.974666
"855076"	114.912366	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-2H+Na"	20.974666
"1631536"	114.912366	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Na-2H"	20.974666
"98952"	110.918763	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M-H+Cl"	33.962126
"537418"	157.887613	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M-H+Cl"	33.962126
"936404"	63.949913	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-H+Cl"	33.962126
"271680"	222.844802	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+Cl"	34.969402
"665197"	316.782502	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+Cl"	34.969402
"1276505"	128.907102	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Cl"	34.969402
"16993"	224.824006	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M-2H+K"	36.948606
"462995"	318.761706	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M-2H+K"	36.948606
"836424"	130.886306	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-2H+K"	36.948606
"1557723"	130.886306	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+K-2H"	36.948606
"943539"	138.935894	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-H+HCOOH"	44.998194
"361542"	232.873601	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+HCOOH-H"	44.998201
"350991"	246.889251	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+Hac-H"	59.013851
"1495808"	152.951551	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Hac-H"	59.013851
"961168"	160.917851	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-H+NaCOOH"	66.980151
"112262"	128.907102	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+2Cl"	69.938804
"553646"	175.875952	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+2Cl"	69.938804
"1023292"	81.938252	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2Cl"	69.938804
"1245304"	172.856585	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Br"	78.918885
"1309943"	174.912572	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Cl+HCOOH"	80.974872
"1321608"	196.894529	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Cl+NaCOOH"	102.956829
"914853"	206.923286	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M-H+CF3COOH"	112.985586
"1297399"	242.899964	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Cl+CF3COOH"	148.962264
"1380301"	58.925024	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H-2H2O"	-35.012676
"1394151"	76.935	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H-H2O"	-17.0027
"291651"	188.882676	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+H"	1.007276
"682978"	282.820376	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+H"	1.007276
"1352637"	94.944976	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H"	1.007276
"128941"	94.944976	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+2H"	2.014552
"569594"	141.913826	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+2H"	2.014552
"1037455"	47.976126	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2H"	2.014552
"206293"	63.6324093333333	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+3H"	3.021828
"658256"	94.944976	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+3H"	3.021828
"1170545"	32.3198426666667	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+3H"	3.021828
"439422"	205.909223	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+NH4"	18.033823
"800773"	299.846923	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+NH4"	18.033823
"1691145"	111.971523	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+NH4"	18.033823
"341607"	103.4582495	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+H+NH4"	19.041099
"726373"	150.4270995	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+H+NH4"	19.041099
"1491393"	56.4893995	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H+NH4"	19.041099
"406912"	210.864618	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+Na"	22.989218
"768272"	304.802318	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+Na"	22.989218
"1617095"	116.926918	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Na"	22.989218
"329566"	105.935947	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+H+Na"	23.996494
"722659"	152.904797	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+H+Na"	23.996494
"1475933"	58.967097	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H+Na"	23.996494
"1060791"	39.6471566666667	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2H+Na"	25.00377
"1264656"	126.971186	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+CH3OH+H"	33.033486
"385417"	226.838558	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+K"	38.963158
"750787"	320.776258	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+K"	38.963158
"1550653"	132.900858	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+K"	38.963158
"307827"	113.922917	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+H+K"	39.970434
"703530"	160.891767	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+H+K"	39.970434
"1458442"	66.954067	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H+K"	39.970434
"243764"	229.909226	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+ACN+H"	42.033826
"1221575"	135.971526	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+ACN+H"	42.033826
"1205093"	68.489401	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+ACN+2H"	43.041102
"200517"	232.84656	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+2Na-H"	44.97116
"641171"	326.78426	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+2Na-H"	44.97116
"1143584"	138.90886	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2Na-H"	44.97116
"183953"	116.926918	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+2Na"	45.978436
"623519"	163.895768	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+2Na"	45.978436
"1125930"	69.958068	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2Na"	45.978436
"1399733"	46.9744706666667	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H+2Na"	46.985712
"1432459"	140.950446	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H+HCOOH"	47.012746
"223977"	121.95994	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+3H2O+2H"	56.04448
"1508757"	155.00249	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+IsoProp+H"	61.06479
"408544"	124.913888	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+Na+K"	61.952376
"770205"	171.882738	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+Na+K"	61.952376
"1665617"	77.945038	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Na+K"	61.952376
"251421"	251.891168	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+ACN+Na"	64.015768
"1225770"	157.953468	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+ACN+Na"	64.015768
"1717898"	157.976993	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+NH4+HCOOH"	64.039293
"1184348"	54.3017846666667	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+3Na"	68.967654
"1664452"	162.932388	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Na+HCOOH"	68.994688
"172166"	264.79444	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+2K-H"	76.91904
"610147"	358.73214	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+2K-H"	76.91904
"1096115"	170.85674	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2K-H"	76.91904
"155853"	132.900858	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"2M+2K"	77.926316
"591772"	179.869708	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"3M+2K"	77.926316
"1082843"	85.932008	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2K"	77.926316
"1113865"	172.871292	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2K+H"	78.933592
"1348787"	172.958907	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+DMSO+H"	79.021207
"1017315"	176.998076	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2ACN+H"	83.060376
"1538725"	177.991708	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+IsoProp+Na+H"	84.054008
"1000794"	89.002676	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+2ACN+2H"	84.067652
"1596390"	178.906328	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+K+HCOOH"	84.968628
"1429104"	208.937838	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+H+CF3COOH"	115.000138
"1158174"	109.515951	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+3ACN+2H"	125.094202
"1712465"	225.964385	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+NH4+CF3COOH"	132.026685
"1648479"	230.91978	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+Na+CF3COOH"	136.98208
"1586316"	246.89372	"C11089"	"Dichloroacetylene"	"C2Cl2"	"93.9377"	"M+K+CF3COOH"	152.95602
"806839"	403.8169	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M"	0
"977092"	384.79851	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-H2O-H"	-19.01839
"65695"	268.203990666667	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M-3H"	-3.021828
"507079"	402.809624	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M-3H"	-3.021828
"892539"	133.598357333333	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-3H"	-3.021828
"2365"	402.809624	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M-2H"	-2.014552
"453836"	604.718074	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M-2H"	-2.014552
"829569"	200.901174	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-2H"	-2.014552
"85188"	806.626524	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M-H"	-1.007276
"523655"	1210.443424	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M-H"	-1.007276
"901457"	402.809624	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-H"	-1.007276
"50361"	823.653071	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M-2H+NH4"	16.019271
"491379"	1227.469971	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M-2H+NH4"	16.019271
"872113"	419.836171	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-2H+NH4"	16.019271
"44387"	828.608466	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M-2H+Na"	20.974666
"483944"	1232.425366	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M-2H+Na"	20.974666
"855186"	424.791566	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-2H+Na"	20.974666
"1629094"	424.791566	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Na-2H"	20.974666
"99062"	420.797963	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M-H+Cl"	33.962126
"540808"	622.706413	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M-H+Cl"	33.962126
"940160"	218.889513	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-H+Cl"	33.962126
"277257"	842.603202	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+Cl"	34.969402
"669681"	1246.420102	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+Cl"	34.969402
"1276615"	438.786302	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Cl"	34.969402
"21356"	844.582406	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M-2H+K"	36.948606
"462012"	1248.399306	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M-2H+K"	36.948606
"837626"	440.765506	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-2H+K"	36.948606
"1559291"	440.765506	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+K-2H"	36.948606
"944257"	448.815094	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-H+HCOOH"	44.998194
"363930"	852.632001	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+HCOOH-H"	44.998201
"352558"	866.647651	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+Hac-H"	59.013851
"1497741"	462.830751	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Hac-H"	59.013851
"961642"	470.797051	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-H+NaCOOH"	66.980151
"114922"	438.786302	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+2Cl"	69.938804
"553391"	640.694752	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+2Cl"	69.938804
"1025467"	236.877852	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2Cl"	69.938804
"1244683"	482.735785	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Br"	78.918885
"1309324"	484.791772	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Cl+HCOOH"	80.974872
"1326457"	506.773729	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Cl+NaCOOH"	102.956829
"914964"	516.802486	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M-H+CF3COOH"	112.985586
"1297508"	552.779164	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Cl+CF3COOH"	148.962264
"1380047"	368.804224	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H-2H2O"	-35.012676
"1393168"	386.8142	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H-H2O"	-17.0027
"291761"	808.641076	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+H"	1.007276
"685274"	1212.457976	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+H"	1.007276
"1352870"	404.824176	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H"	1.007276
"129050"	404.824176	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+2H"	2.014552
"569704"	606.732626	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+2H"	2.014552
"1038864"	202.915726	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2H"	2.014552
"206766"	270.218542666667	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+3H"	3.021828
"644580"	404.824176	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+3H"	3.021828
"1163478"	135.612909333333	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+3H"	3.021828
"427364"	825.667623	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+NH4"	18.033823
"790546"	1229.484523	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+NH4"	18.033823
"1691255"	421.850723	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+NH4"	18.033823
"342810"	413.3374495	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+H+NH4"	19.041099
"726483"	615.2458995	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+H+NH4"	19.041099
"1490531"	211.4289995	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H+NH4"	19.041099
"406293"	830.623018	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+Na"	22.989218
"767651"	1234.439918	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+Na"	22.989218
"1616117"	426.806118	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Na"	22.989218
"328338"	415.815147	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+H+Na"	23.996494
"721363"	617.723597	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+H+Na"	23.996494
"1474584"	213.906697	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H+Na"	23.996494
"1060901"	142.940223333333	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2H+Na"	25.00377
"1262580"	436.850386	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+CH3OH+H"	33.033486
"383340"	846.596958	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+K"	38.963158
"749803"	1250.413858	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+K"	38.963158
"1550764"	442.780058	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+K"	38.963158
"310124"	423.802117	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+H+K"	39.970434
"702546"	625.710567	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+H+K"	39.970434
"1457458"	221.893667	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H+K"	39.970434
"243874"	849.667626	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+ACN+H"	42.033826
"1220593"	445.850726	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+ACN+H"	42.033826
"1207757"	223.429001	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+ACN+2H"	43.041102
"202573"	852.60496	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+2Na-H"	44.97116
"641645"	1256.42186	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+2Na-H"	44.97116
"1144787"	448.78806	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2Na-H"	44.97116
"184063"	426.806118	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+2Na"	45.978436
"627157"	628.714568	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+2Na"	45.978436
"1129322"	224.897668	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2Na"	45.978436
"1400088"	150.267537333333	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H+2Na"	46.985712
"1432569"	450.829646	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H+HCOOH"	47.012746
"224816"	431.83914	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+3H2O+2H"	56.04448
"1510327"	464.88169	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+IsoProp+H"	61.06479
"408681"	434.793088	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+Na+K"	61.952376
"770644"	636.701538	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+Na+K"	61.952376
"1665754"	232.884638	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Na+K"	61.952376
"253129"	871.649568	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+ACN+Na"	64.015768
"1227663"	467.832668	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+ACN+Na"	64.015768
"1719101"	467.856193	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+NH4+HCOOH"	64.039293
"1186645"	157.594851333333	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+3Na"	68.967654
"1663104"	472.811588	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Na+HCOOH"	68.994688
"171059"	884.55284	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+2K-H"	76.91904
"607344"	1288.36974	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+2K-H"	76.91904
"1097321"	480.73594	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2K-H"	76.91904
"152318"	442.780058	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"2M+2K"	77.926316
"592610"	644.688508	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"3M+2K"	77.926316
"1078943"	240.871608	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2K"	77.926316
"1112149"	482.750492	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2K+H"	78.933592
"1348897"	482.838107	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+DMSO+H"	79.021207
"1016332"	486.877276	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2ACN+H"	83.060376
"1536642"	487.870908	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+IsoProp+Na+H"	84.054008
"999810"	243.942276	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+2ACN+2H"	84.067652
"1594313"	488.785528	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+K+HCOOH"	84.968628
"1429458"	518.817038	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+H+CF3COOH"	115.000138
"1158284"	264.455551	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+3ACN+2H"	125.094202
"1712575"	535.843585	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+NH4+CF3COOH"	132.026685
"1648589"	540.79898	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+Na+CF3COOH"	136.98208
"1586426"	556.77292	"C11090"	"Endosulfan;Benzoepin"	"C9H6Cl6O3S"	"403.8169"	"M+K+CF3COOH"	152.95602
"806949"	257.8131	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M"	0
"974420"	238.79471	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-H2O-H"	-19.01839
"63254"	170.868124	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M-3H"	-3.021828
"508283"	256.805824	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M-3H"	-3.021828
"887182"	84.930424	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-3H"	-3.021828
"2475"	256.805824	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M-2H"	-2.014552
"455325"	385.712374	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M-2H"	-2.014552
"827493"	127.899274	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-2H"	-2.014552
"85298"	514.618924	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M-H"	-1.007276
"523765"	772.432024	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M-H"	-1.007276
"901567"	256.805824	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-H"	-1.007276
"49014"	531.645471	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M-2H+NH4"	16.019271
"494407"	789.458571	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M-2H+NH4"	16.019271
"873316"	273.832371	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-2H+NH4"	16.019271
"43403"	536.600866	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M-2H+Na"	20.974666
"482961"	794.413966	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M-2H+Na"	20.974666
"853107"	278.787766	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-2H+Na"	20.974666
"1632484"	278.787766	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Na-2H"	20.974666
"102452"	274.794163	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M-H+Cl"	33.962126
"540918"	403.700713	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M-H+Cl"	33.962126
"939905"	145.887613	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-H+Cl"	33.962126
"276274"	550.595602	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+Cl"	34.969402
"670887"	808.408702	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+Cl"	34.969402
"1280006"	292.782502	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Cl"	34.969402
"21466"	552.574806	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M-2H+K"	36.948606
"459934"	810.387906	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M-2H+K"	36.948606
"836642"	294.761706	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-2H+K"	36.948606
"1558304"	294.761706	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+K-2H"	36.948606
"945824"	302.811294	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-H+HCOOH"	44.998194
"363309"	560.624401	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+HCOOH-H"	44.998201
"351575"	574.640051	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+Hac-H"	59.013851
"1496029"	316.826951	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Hac-H"	59.013851
"960294"	324.793251	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-H+NaCOOH"	66.980151
"113210"	292.782502	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+2Cl"	69.938804
"552772"	421.689052	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+2Cl"	69.938804
"1024484"	163.875952	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2Cl"	69.938804
"1244065"	336.731985	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Br"	78.918885
"1309434"	338.787972	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Cl+HCOOH"	80.974872
"1324745"	360.769929	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Cl+NaCOOH"	102.956829
"917625"	370.798686	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M-H+CF3COOH"	112.985586
"1289962"	406.775364	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Cl+CF3COOH"	148.962264
"1377967"	222.800424	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H-2H2O"	-35.012676
"1394371"	240.8104	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H-H2O"	-17.0027
"291871"	516.633476	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+H"	1.007276
"685384"	774.446576	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+H"	1.007276
"1352252"	258.820376	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H"	1.007276
"128067"	258.820376	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+2H"	2.014552
"569814"	387.726926	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+2H"	2.014552
"1038124"	129.913826	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2H"	2.014552
"206513"	172.882676	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+3H"	3.021828
"644975"	258.820376	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+3H"	3.021828
"1163102"	86.944976	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+3H"	3.021828
"426381"	533.660023	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+NH4"	18.033823
"785734"	791.473123	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+NH4"	18.033823
"1691365"	275.846923	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+NH4"	18.033823
"340734"	267.3336495	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+H+NH4"	19.041099
"725500"	396.2401995	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+H+NH4"	19.041099
"1491849"	138.4270995	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H+NH4"	19.041099
"408098"	538.615418	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+Na"	22.989218
"769214"	796.428518	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+Na"	22.989218
"1617678"	280.802318	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Na"	22.989218
"324797"	269.811347	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+H+Na"	23.996494
"721351"	398.717897	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+H+Na"	23.996494
"1473967"	140.904797	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H+Na"	23.996494
"1065025"	94.27229	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2H+Na"	25.00377
"1270346"	290.846586	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+CH3OH+H"	33.033486
"389289"	554.589358	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+K"	38.963158
"750282"	812.402458	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+K"	38.963158
"1552697"	296.776258	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+K"	38.963158
"313637"	277.798317	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+H+K"	39.970434
"703383"	406.704867	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+H+K"	39.970434
"1460119"	148.891767	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H+K"	39.970434
"247993"	557.660026	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+ACN+H"	42.033826
"1222892"	299.846926	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+ACN+H"	42.033826
"1207504"	150.427101	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+ACN+2H"	43.041102
"202077"	560.59736	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+2Na-H"	44.97116
"642484"	818.41046	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+2Na-H"	44.97116
"1145625"	302.78426	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2Na-H"	44.97116
"185266"	280.802318	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+2Na"	45.978436
"626292"	409.708868	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+2Na"	45.978436
"1128704"	151.895768	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2Na"	45.978436
"1399956"	101.599604	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H+2Na"	46.985712
"1430978"	304.825846	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H+HCOOH"	47.012746
"221647"	285.83534	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+3H2O+2H"	56.04448
"1509344"	318.87789	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+IsoProp+H"	61.06479
"408906"	288.789288	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+Na+K"	61.952376
"770028"	417.695838	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+Na+K"	61.952376
"1666229"	159.882738	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Na+K"	61.952376
"252145"	579.641968	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+ACN+Na"	64.015768
"1227042"	321.828868	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+ACN+Na"	64.015768
"1713859"	321.852393	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+NH4+HCOOH"	64.039293
"1179098"	108.926918	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+3Na"	68.967654
"1664306"	326.807788	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Na+HCOOH"	68.994688
"168978"	592.54524	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+2K-H"	76.91904
"610002"	850.35834	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+2K-H"	76.91904
"1096703"	334.73214	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2K-H"	76.91904
"153520"	296.776258	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"2M+2K"	77.926316
"594899"	425.682808	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"3M+2K"	77.926316
"1081241"	167.869708	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2K"	77.926316
"1112990"	336.746692	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2K+H"	78.933592
"1347550"	336.834307	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+DMSO+H"	79.021207
"1017172"	340.873476	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2ACN+H"	83.060376
"1537845"	341.867108	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+IsoProp+Na+H"	84.054008
"1002107"	170.940376	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+2ACN+2H"	84.067652
"1596610"	342.781728	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+K+HCOOH"	84.968628
"1429567"	372.813238	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+H+CF3COOH"	115.000138
"1158394"	191.453651	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+3ACN+2H"	125.094202
"1710863"	389.839785	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+NH4+CF3COOH"	132.026685
"1647605"	394.79518	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+Na+CF3COOH"	136.98208
"1586536"	410.76912	"C11091"	"Hexachloro-13-butadiene;HCBD;Hexachlorobutadiene"	"C4Cl6"	"257.8131"	"M+K+CF3COOH"	152.95602
"807059"	437.1853	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M"	0
"977312"	418.16691	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-H2O-H"	-19.01839
"64456"	290.449590666667	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M-3H"	-3.021828
"506206"	436.178024	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M-3H"	-3.021828
"888386"	144.721157333333	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-3H"	-3.021828
"2219"	436.178024	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M-2H"	-2.014552
"449802"	654.770674	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M-2H"	-2.014552
"826509"	217.585374	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-2H"	-2.014552
"85408"	873.363324	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M-H"	-1.007276
"522052"	1310.548624	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M-H"	-1.007276
"901677"	436.178024	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-H"	-1.007276
"50218"	890.389871	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M-2H+NH4"	16.019271
"489777"	1327.575171	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M-2H+NH4"	16.019271
"869052"	453.204571	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-2H+NH4"	16.019271
"40233"	895.345266	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M-2H+Na"	20.974666
"475417"	1332.530566	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M-2H+Na"	20.974666
"851031"	458.159966	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-2H+Na"	20.974666
"1620197"	458.159966	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Na-2H"	20.974666
"99282"	454.166363	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M-H+Cl"	33.962126
"537748"	672.759013	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M-H+Cl"	33.962126
"933454"	235.573713	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-H+Cl"	33.962126
"270917"	909.340002	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+Cl"	34.969402
"669902"	1346.525302	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+Cl"	34.969402
"1279022"	472.154702	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Cl"	34.969402
"19389"	911.319206	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M-2H+K"	36.948606
"458581"	1348.504506	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M-2H+K"	36.948606
"835659"	474.133906	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-2H+K"	36.948606
"1556591"	474.133906	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+K-2H"	36.948606
"942858"	482.183494	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-H+HCOOH"	44.998194
"361552"	919.368801	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+HCOOH-H"	44.998201
"350224"	933.384451	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+Hac-H"	59.013851
"1496503"	496.199151	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Hac-H"	59.013851
"961860"	504.165451	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-H+NaCOOH"	66.980151
"113681"	472.154702	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+2Cl"	69.938804
"553246"	690.747352	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+2Cl"	69.938804
"1023865"	253.562052	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2Cl"	69.938804
"1244904"	516.104185	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Br"	78.918885
"1308085"	518.160172	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Cl+HCOOH"	80.974872
"1323760"	540.142129	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Cl+NaCOOH"	102.956829
"917735"	550.170886	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M-H+CF3COOH"	112.985586
"1290072"	586.147564	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Cl+CF3COOH"	148.962264
"1374797"	402.172624	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H-2H2O"	-35.012676
"1391201"	420.1826	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H-H2O"	-17.0027
"287241"	875.377876	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+H"	1.007276
"677837"	1312.563176	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+H"	1.007276
"1352603"	438.192576	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H"	1.007276
"128177"	438.192576	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+2H"	2.014552
"569924"	656.785226	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+2H"	2.014552
"1039816"	219.599926	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2H"	2.014552
"205526"	292.464142666667	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+3H"	3.021828
"644841"	438.192576	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+3H"	3.021828
"1163333"	146.735709333333	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+3H"	3.021828
"426491"	892.404423	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+NH4"	18.033823
"786266"	1329.589723	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+NH4"	18.033823
"1693661"	455.219123	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+NH4"	18.033823
"340844"	446.7058495	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+H+NH4"	19.041099
"725974"	665.2984995	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+H+NH4"	19.041099
"1492201"	228.1131995	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H+NH4"	19.041099
"408205"	897.359818	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+Na"	22.989218
"767865"	1334.545118	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+Na"	22.989218
"1613775"	460.174518	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Na"	22.989218
"325995"	449.183547	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+H+Na"	23.996494
"722190"	667.776197	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+H+Na"	23.996494
"1474076"	230.590897	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H+Na"	23.996494
"1064407"	154.063023333333	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2H+Na"	25.00377
"1266085"	470.218786	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+CH3OH+H"	33.033486
"390487"	913.333758	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+K"	38.963158
"752579"	1350.519058	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+K"	38.963158
"1553171"	476.148458	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+K"	38.963158
"311436"	457.170517	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+H+K"	39.970434
"705680"	675.763167	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+H+K"	39.970434
"1459136"	238.577867	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H+K"	39.970434
"249563"	916.404426	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+ACN+H"	42.033826
"1224583"	479.219126	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+ACN+H"	42.033826
"1207980"	240.113201	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+ACN+2H"	43.041102
"203765"	919.34176	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+2Na-H"	44.97116
"643929"	1356.52706	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+2Na-H"	44.97116
"1145369"	482.15646	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2Na-H"	44.97116
"183189"	460.174518	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+2Na"	45.978436
"627129"	678.767168	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+2Na"	45.978436
"1128448"	241.581868	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2Na"	45.978436
"1400674"	161.390337333333	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H+2Na"	46.985712
"1431695"	484.198046	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H+HCOOH"	47.012746
"222485"	465.20754	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+3H2O+2H"	56.04448
"1509939"	498.25009	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+IsoProp+H"	61.06479
"409744"	468.161488	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+Na+K"	61.952376
"771225"	686.754138	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+Na+K"	61.952376
"1667187"	249.568838	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Na+K"	61.952376
"254073"	938.386368	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+ACN+Na"	64.015768
"1227516"	501.201068	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+ACN+Na"	64.015768
"1715667"	501.224593	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+NH4+HCOOH"	64.039293
"1180300"	168.717651333333	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+3Na"	68.967654
"1661134"	506.179988	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Na+HCOOH"	68.994688
"169088"	951.28964	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+2K-H"	76.91904
"610721"	1388.47494	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+2K-H"	76.91904
"1098509"	514.10434	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2K-H"	76.91904
"155087"	476.148458	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"2M+2K"	77.926316
"595010"	694.741108	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"3M+2K"	77.926316
"1081715"	257.555808	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2K"	77.926316
"1113100"	516.118892	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2K+H"	78.933592
"1348024"	516.206507	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+DMSO+H"	79.021207
"1018739"	520.245676	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2ACN+H"	83.060376
"1537955"	521.239308	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+IsoProp+Na+H"	84.054008
"998937"	260.626476	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+2ACN+2H"	84.067652
"1596720"	522.153928	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+K+HCOOH"	84.968628
"1429314"	552.185438	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+H+CF3COOH"	115.000138
"1158139"	281.139751	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+3ACN+2H"	125.094202
"1711702"	569.211985	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+NH4+CF3COOH"	132.026685
"1646622"	574.16738	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+Na+CF3COOH"	136.98208
"1586646"	590.14132	"C11092"	"Azocyclotin"	"C20H35N3Sn"	"437.1853"	"M+K+CF3COOH"	152.95602
"810449"	386.1632	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M"	0
"977422"	367.14481	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-H2O-H"	-19.01839
"62859"	256.434857333333	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M-3H"	-3.021828
"505223"	385.155924	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M-3H"	-3.021828
"889589"	127.713790666667	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-3H"	-3.021828
"2694"	385.155924	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M-2H"	-2.014552
"449912"	578.237524	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M-2H"	-2.014552
"826620"	192.074324	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-2H"	-2.014552
"91353"	771.319124	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M-H"	-1.007276
"526172"	1157.482324	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M-H"	-1.007276
"898508"	385.155924	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-H"	-1.007276
"53974"	788.345671	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M-2H+NH4"	16.019271
"488431"	1174.508871	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M-2H+NH4"	16.019271
"870255"	402.182471	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-2H+NH4"	16.019271
"41436"	793.301066	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M-2H+Na"	20.974666
"479900"	1179.464266	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M-2H+Na"	20.974666
"854421"	407.137866	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-2H+Na"	20.974666
"1619942"	407.137866	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Na-2H"	20.974666
"99392"	403.144263	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M-H+Cl"	33.962126
"537858"	596.225863	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M-H+Cl"	33.962126
"933564"	210.062663	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-H+Cl"	33.962126
"270297"	807.295802	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+Cl"	34.969402
"668918"	1193.459002	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+Cl"	34.969402
"1279132"	421.132602	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Cl"	34.969402
"20592"	809.275006	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M-2H+K"	36.948606
"460152"	1195.438206	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M-2H+K"	36.948606
"834552"	423.111806	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-2H+K"	36.948606
"1559255"	423.111806	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+K-2H"	36.948606
"945071"	431.161394	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-H+HCOOH"	44.998194
"363531"	817.324601	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+HCOOH-H"	44.998201
"346441"	831.340251	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+Hac-H"	59.013851
"1493328"	445.177051	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Hac-H"	59.013851
"958586"	453.143351	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-H+NaCOOH"	66.980151
"110344"	421.132602	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+2Cl"	69.938804
"551168"	614.214202	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+2Cl"	69.938804
"1022881"	228.051002	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2Cl"	69.938804
"1245743"	465.082085	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Br"	78.918885
"1308924"	467.138072	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Cl+HCOOH"	80.974872
"1323505"	489.120029	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Cl+NaCOOH"	102.956829
"917845"	499.148786	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M-H+CF3COOH"	112.985586
"1290911"	535.125464	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Cl+CF3COOH"	148.962264
"1371991"	351.150524	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H-2H2O"	-35.012676
"1386205"	369.1605	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H-H2O"	-17.0027
"287716"	773.333676	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+H"	1.007276
"678312"	1159.496876	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+H"	1.007276
"1352471"	387.170476	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H"	1.007276
"128287"	387.170476	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+2H"	2.014552
"570034"	580.252076	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+2H"	2.014552
"1041019"	194.088876	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2H"	2.014552
"206001"	258.449409333333	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+3H"	3.021828
"644586"	387.170476	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+3H"	3.021828
"1163119"	129.728342666667	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+3H"	3.021828
"426601"	790.360223	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+NH4"	18.033823
"785768"	1176.523423	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+NH4"	18.033823
"1693771"	404.197023	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+NH4"	18.033823
"342047"	395.6837495	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+H+NH4"	19.041099
"725720"	588.7653495	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+H+NH4"	19.041099
"1491222"	202.6021495	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H+NH4"	19.041099
"407708"	795.315618	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+Na"	22.989218
"767975"	1181.478818	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+Na"	22.989218
"1617164"	409.152418	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Na"	22.989218
"326105"	398.161447	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+H+Na"	23.996494
"721446"	591.243047	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+H+Na"	23.996494
"1475646"	205.079847	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H+Na"	23.996494
"1066339"	137.055656666667	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2H+Na"	25.00377
"1269111"	419.196686	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+CH3OH+H"	33.033486
"388045"	811.289558	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+K"	38.963158
"752326"	1197.452758	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+K"	38.963158
"1553282"	425.126358	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+K"	38.963158
"313734"	406.148417	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+H+K"	39.970434
"705793"	599.230017	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+H+K"	39.970434
"1458154"	213.066817	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H+K"	39.970434
"248945"	814.360226	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+ACN+H"	42.033826
"1223840"	428.197026	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+ACN+H"	42.033826
"1208576"	214.602151	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+ACN+2H"	43.041102
"203509"	817.29756	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+2Na-H"	44.97116
"643757"	1203.46076	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+2Na-H"	44.97116
"1145844"	431.13436	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2Na-H"	44.97116
"185486"	409.152418	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+2Na"	45.978436
"627484"	602.234018	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+2Na"	45.978436
"1131218"	216.070818	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2Na"	45.978436
"1401150"	144.382970666667	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H+2Na"	46.985712
"1432291"	433.175946	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H+HCOOH"	47.012746
"222960"	414.18544	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+3H2O+2H"	56.04448
"1512116"	447.22799	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+IsoProp+H"	61.06479
"409248"	417.139388	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+Na+K"	61.952376
"771458"	610.220988	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+Na+K"	61.952376
"1667298"	224.057788	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Na+K"	61.952376
"253459"	836.342168	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+ACN+Na"	64.015768
"1227262"	450.178968	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+ACN+Na"	64.015768
"1716148"	450.202493	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+NH4+HCOOH"	64.039293
"1181505"	151.710284666667	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+3Na"	68.967654
"1659057"	455.157888	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Na+HCOOH"	68.994688
"165918"	849.24544	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+2K-H"	76.91904
"609856"	1235.40864	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+2K-H"	76.91904
"1097647"	463.08224	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2K-H"	76.91904
"153369"	425.126358	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"2M+2K"	77.926316
"594026"	618.207958	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"3M+2K"	77.926316
"1082911"	232.044758	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2K"	77.926316
"1112845"	465.096792	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2K+H"	78.933592
"1345946"	465.184407	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+DMSO+H"	79.021207
"1018487"	469.223576	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2ACN+H"	83.060376
"1538066"	470.217208	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+IsoProp+Na+H"	84.054008
"999048"	235.115426	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+2ACN+2H"	84.067652
"1597924"	471.131828	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+K+HCOOH"	84.968628
"1424676"	501.163338	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+H+CF3COOH"	115.000138
"1159342"	255.628701	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+3ACN+2H"	125.094202
"1712702"	518.189885	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+NH4+CF3COOH"	132.026685
"1646732"	523.14528	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+Na+CF3COOH"	136.98208
"1586756"	539.11922	"C11093"	"Cyhexatin"	"C18H34OSn"	"386.1632"	"M+K+CF3COOH"	152.95602
"807279"	411.0364	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M"	0
"977532"	392.01801	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-H2O-H"	-19.01839
"62979"	273.016990666667	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M-3H"	-3.021828
"502991"	410.029124	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M-3H"	-3.021828
"889699"	136.004857333333	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-3H"	-3.021828
"1346"	410.029124	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M-2H"	-2.014552
"451115"	615.547324	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M-2H"	-2.014552
"827823"	204.510924	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-2H"	-2.014552
"92314"	821.065524	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M-H"	-1.007276
"524095"	1232.101924	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M-H"	-1.007276
"898618"	410.029124	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-H"	-1.007276
"48981"	838.092071	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M-2H+NH4"	16.019271
"488906"	1249.128471	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M-2H+NH4"	16.019271
"865974"	427.055671	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-2H+NH4"	16.019271
"32292"	843.047466	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M-2H+Na"	20.974666
"471695"	1254.083866	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M-2H+Na"	20.974666
"862182"	432.011066	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-2H+Na"	20.974666
"1626249"	432.011066	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Na-2H"	20.974666
"95486"	428.017463	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M-H+Cl"	33.962126
"539057"	633.535663	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M-H+Cl"	33.962126
"929294"	222.499263	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-H+Cl"	33.962126
"271131"	857.042202	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+Cl"	34.969402
"666842"	1268.078602	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+Cl"	34.969402
"1274868"	446.005802	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Cl"	34.969402
"16281"	859.021406	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M-2H+K"	36.948606
"456492"	1270.057806	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M-2H+K"	36.948606
"834056"	447.985006	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-2H+K"	36.948606
"1557177"	447.985006	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+K-2H"	36.948606
"945060"	456.034594	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-H+HCOOH"	44.998194
"365464"	867.071001	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+HCOOH-H"	44.998201
"346915"	881.086651	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+Hac-H"	59.013851
"1493029"	470.050251	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Hac-H"	59.013851
"959523"	478.016551	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-H+NaCOOH"	66.980151
"110294"	446.005802	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+2Cl"	69.938804
"550550"	651.524002	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+2Cl"	69.938804
"1021654"	240.487602	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2Cl"	69.938804
"1245124"	489.955285	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Br"	78.918885
"1307212"	492.011272	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Cl+HCOOH"	80.974872
"1323251"	513.993229	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Cl+NaCOOH"	102.956829
"917955"	524.021986	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M-H+CF3COOH"	112.985586
"1290292"	559.998664	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Cl+CF3COOH"	148.962264
"1371737"	376.023724	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H-2H2O"	-35.012676
"1385587"	394.0337	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H-H2O"	-17.0027
"287826"	823.080076	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+H"	1.007276
"679153"	1234.116476	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+H"	1.007276
"1352217"	412.043676	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H"	1.007276
"128397"	412.043676	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+2H"	2.014552
"570144"	617.561876	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+2H"	2.014552
"1041129"	206.525476	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2H"	2.014552
"206112"	275.031542666667	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+3H"	3.021828
"645062"	412.043676	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+3H"	3.021828
"1165984"	138.019409333333	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+3H"	3.021828
"427804"	840.106623	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+NH4"	18.033823
"786611"	1251.143023	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+NH4"	18.033823
"1694974"	429.070223	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+NH4"	18.033823
"342157"	420.5569495	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+H+NH4"	19.041099
"725830"	626.0751495	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+H+NH4"	19.041099
"1492060"	215.0387495	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H+NH4"	19.041099
"407088"	845.062018	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+Na"	22.989218
"769424"	1256.098418	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+Na"	22.989218
"1617519"	434.025618	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Na"	22.989218
"325122"	423.034647	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+H+Na"	23.996494
"720463"	628.552847	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+H+Na"	23.996494
"1475027"	217.516447	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H+Na"	23.996494
"1064625"	145.346723333333	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2H+Na"	25.00377
"1264119"	444.069886	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+CH3OH+H"	33.033486
"389248"	861.035958	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+K"	38.963158
"749519"	1272.072358	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+K"	38.963158
"1553392"	449.999558	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+K"	38.963158
"313479"	431.021617	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+H+K"	39.970434
"706632"	636.539817	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+H+K"	39.970434
"1460450"	225.503417	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H+K"	39.970434
"246503"	864.106626	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+ACN+H"	42.033826
"1224313"	453.070226	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+ACN+H"	42.033826
"1207467"	227.038751	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+ACN+2H"	43.041102
"202888"	867.04396	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+2Na-H"	44.97116
"643541"	1278.08036	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+2Na-H"	44.97116
"1143402"	456.00756	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2Na-H"	44.97116
"182316"	434.025618	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+2Na"	45.978436
"626621"	639.543818	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+2Na"	45.978436
"1128667"	228.507418	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2Na"	45.978436
"1401256"	152.674037333333	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H+2Na"	46.985712
"1432279"	458.049146	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H+HCOOH"	47.012746
"223070"	439.05864	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+3H2O+2H"	56.04448
"1510767"	472.10119	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+IsoProp+H"	61.06479
"410451"	442.012588	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+Na+K"	61.952376
"771810"	647.530788	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+Na+K"	61.952376
"1665589"	236.494388	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Na+K"	61.952376
"253565"	886.088568	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+ACN+Na"	64.015768
"1227734"	475.052168	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+ACN+Na"	64.015768
"1715165"	475.075693	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+NH4+HCOOH"	64.039293
"1181615"	160.001351333333	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+3Na"	68.967654
"1659167"	480.031088	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Na+HCOOH"	68.994688
"166028"	898.99184	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+2K-H"	76.91904
"608871"	1310.02824	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+2K-H"	76.91904
"1096663"	487.95544	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2K-H"	76.91904
"151291"	449.999558	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"2M+2K"	77.926316
"595958"	655.517758	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"3M+2K"	77.926316
"1083630"	244.481358	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2K"	77.926316
"1111860"	489.969992	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2K+H"	78.933592
"1347149"	490.057607	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+DMSO+H"	79.021207
"1018962"	494.096776	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2ACN+H"	83.060376
"1535989"	495.090408	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+IsoProp+Na+H"	84.054008
"1001345"	247.552026	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+2ACN+2H"	84.067652
"1596941"	496.005028	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+K+HCOOH"	84.968628
"1425879"	526.036538	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+H+CF3COOH"	115.000138
"1159452"	268.065301	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+3ACN+2H"	125.094202
"1712704"	543.063085	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+NH4+CF3COOH"	132.026685
"1645748"	548.01848	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+Na+CF3COOH"	136.98208
"1586866"	563.99242	"C11094"	"Carfentrazone-ethyl"	"C15H14Cl2F3N3O3"	"411.0364"	"M+K+CF3COOH"	152.95602
"807389"	239.0713	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M"	0
"977642"	220.05291	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-H2O-H"	-19.01839
"63606"	158.373590666667	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M-3H"	-3.021828
"504349"	238.064024	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M-3H"	-3.021828
"890902"	78.6831573333333	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-3H"	-3.021828
"4007"	238.064024	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M-2H"	-2.014552
"452319"	357.599674	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M-2H"	-2.014552
"825746"	118.528374	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-2H"	-2.014552
"92787"	477.135324	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M-H"	-1.007276
"527485"	716.206624	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M-H"	-1.007276
"902008"	238.064024	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-H"	-1.007276
"54194"	494.161871	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M-2H+NH4"	16.019271
"492661"	733.233171	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M-2H+NH4"	16.019271
"868272"	255.090571	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-2H+NH4"	16.019271
"34349"	499.117266	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M-2H+Na"	20.974666
"473181"	738.188566	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M-2H+Na"	20.974666
"862171"	260.045966	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-2H+Na"	20.974666
"1626359"	260.045966	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Na-2H"	20.974666
"95232"	256.052363	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M-H+Cl"	33.962126
"541354"	375.588013	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M-H+Cl"	33.962126
"935965"	136.516713	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-H+Cl"	33.962126
"272334"	513.112002	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+Cl"	34.969402
"665850"	752.183302	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+Cl"	34.969402
"1280440"	274.040702	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Cl"	34.969402
"20810"	515.091206	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M-2H+K"	36.948606
"457089"	754.162506	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M-2H+K"	36.948606
"833313"	276.019906	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-2H+K"	36.948606
"1556557"	276.019906	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+K-2H"	36.948606
"943712"	284.069494	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-H+HCOOH"	44.998194
"363751"	523.140801	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+HCOOH-H"	44.998201
"345706"	537.156451	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+Hac-H"	59.013851
"1494273"	298.085151	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Hac-H"	59.013851
"959264"	306.051451	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-H+NaCOOH"	66.980151
"111089"	274.040702	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+2Cl"	69.938804
"551385"	393.576352	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+2Cl"	69.938804
"1022733"	154.505052	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2Cl"	69.938804
"1245963"	317.990185	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Br"	78.918885
"1306591"	320.046172	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Cl+HCOOH"	80.974872
"1323725"	342.028129	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Cl+NaCOOH"	102.956829
"915149"	352.056886	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M-H+CF3COOH"	112.985586
"1290394"	388.033564	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Cl+CF3COOH"	148.962264
"1372209"	204.058624	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H-2H2O"	-35.012676
"1387154"	222.0686	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H-H2O"	-17.0027
"286841"	479.149876	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+H"	1.007276
"677804"	718.221176	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+H"	1.007276
"1352448"	240.078576	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H"	1.007276
"128507"	240.078576	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+2H"	2.014552
"570254"	359.614226	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+2H"	2.014552
"1041239"	120.542926	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2H"	2.014552
"206951"	160.388142666667	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+3H"	3.021828
"644683"	240.078576	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+3H"	3.021828
"1164636"	80.6977093333333	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+3H"	3.021828
"427914"	496.176423	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+NH4"	18.033823
"786228"	735.247723	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+NH4"	18.033823
"1682077"	257.105123	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+NH4"	18.033823
"331328"	248.5918495	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+H+NH4"	19.041099
"725940"	368.1274995	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+H+NH4"	19.041099
"1489617"	129.0561995	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H+NH4"	19.041099
"407078"	501.131818	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+Na"	22.989218
"767830"	740.203118	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+Na"	22.989218
"1616291"	262.060518	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Na"	22.989218
"325232"	251.069547	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+H+Na"	23.996494
"720816"	370.605197	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+H+Na"	23.996494
"1474406"	131.533897	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H+Na"	23.996494
"1066555"	88.0250233333333	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2H+Na"	25.00377
"1268962"	272.104786	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+CH3OH+H"	33.033486
"383891"	517.105758	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+K"	38.963158
"751449"	756.177058	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+K"	38.963158
"1551680"	278.034458	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+K"	38.963158
"312132"	259.056517	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+H+K"	39.970434
"701999"	378.592167	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+H+K"	39.970434
"1458008"	139.520867	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H+K"	39.970434
"243327"	520.176426	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+ACN+H"	42.033826
"1220413"	281.105126	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+ACN+H"	42.033826
"1205389"	141.056201	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+ACN+2H"	43.041102
"201175"	523.11376	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+2Na-H"	44.97116
"640006"	762.18506	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+2Na-H"	44.97116
"1140230"	284.04246	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2Na-H"	44.97116
"179146"	262.060518	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+2Na"	45.978436
"621992"	381.596168	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+2Na"	45.978436
"1125132"	142.524868	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2Na"	45.978436
"1400274"	95.3523373333333	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H+2Na"	46.985712
"1432025"	286.084046	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H+HCOOH"	47.012746
"221357"	267.09354	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+3H2O+2H"	56.04448
"1510877"	300.13609	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+IsoProp+H"	61.06479
"410196"	270.047488	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+Na+K"	61.952376
"773743"	389.583138	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+Na+K"	61.952376
"1666183"	150.511838	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Na+K"	61.952376
"252215"	542.158368	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+ACN+Na"	64.015768
"1226748"	303.087068	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+ACN+Na"	64.015768
"1714177"	303.110593	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+NH4+HCOOH"	64.039293
"1179538"	102.679651333333	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+3Na"	68.967654
"1659277"	308.065988	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Na+HCOOH"	68.994688
"167231"	555.06164	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+2K-H"	76.91904
"607888"	794.13294	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+2K-H"	76.91904
"1095680"	315.99034	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2K-H"	76.91904
"150307"	278.034458	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"2M+2K"	77.926316
"592058"	397.570108	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"3M+2K"	77.926316
"1078757"	158.498808	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2K"	77.926316
"1110876"	318.004892	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2K+H"	78.933592
"1345072"	318.092507	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+DMSO+H"	79.021207
"1016883"	322.131676	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2ACN+H"	83.060376
"1533912"	323.125308	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+IsoProp+Na+H"	84.054008
"1000361"	161.569476	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+2ACN+2H"	84.067652
"1593770"	324.039928	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+K+HCOOH"	84.968628
"1420522"	354.071438	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+H+CF3COOH"	115.000138
"1159562"	182.082751	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+3ACN+2H"	125.094202
"1712155"	371.097985	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+NH4+CF3COOH"	132.026685
"1645858"	376.05338	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+Na+CF3COOH"	136.98208
"1586976"	392.02732	"C11095"	"Clomazone;FMC57020"	"C12H14ClNO2"	"239.0713"	"M+K+CF3COOH"	152.95602
"808592"	310.0873	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M"	0
"982125"	291.06891	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-H2O-H"	-19.01839
"68179"	205.717590666667	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M-3H"	-3.021828
"504460"	309.080024	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M-3H"	-3.021828
"891012"	102.355157333333	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-3H"	-3.021828
"6306"	309.080024	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M-2H"	-2.014552
"454740"	464.123674	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M-2H"	-2.014552
"832625"	154.036374	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-2H"	-2.014552
"93389"	619.167324	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M-H"	-1.007276
"533307"	929.254624	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M-H"	-1.007276
"911151"	309.080024	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-H"	-1.007276
"60865"	636.193871	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M-2H+NH4"	16.019271
"496051"	946.281171	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M-2H+NH4"	16.019271
"868749"	326.106571	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-2H+NH4"	16.019271
"35920"	641.149266	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M-2H+Na"	20.974666
"474751"	951.236566	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M-2H+Na"	20.974666
"862402"	331.061966	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-2H+Na"	20.974666
"1626469"	331.061966	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Na-2H"	20.974666
"96436"	327.068363	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M-H+Cl"	33.962126
"538183"	482.112013	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M-H+Cl"	33.962126
"937166"	172.024713	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-H+Cl"	33.962126
"273537"	655.144002	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+Cl"	34.969402
"669239"	965.231302	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+Cl"	34.969402
"1282739"	345.056702	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Cl"	34.969402
"22013"	657.123206	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M-2H+K"	36.948606
"457199"	967.210506	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M-2H+K"	36.948606
"834397"	347.035906	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-2H+K"	36.948606
"1557398"	347.035906	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+K-2H"	36.948606
"944551"	355.085494	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-H+HCOOH"	44.998194
"363861"	665.172801	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+HCOOH-H"	44.998201
"346040"	679.188451	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+Hac-H"	59.013851
"1494022"	369.101151	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Hac-H"	59.013851
"960105"	377.067451	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-H+NaCOOH"	66.980151
"110595"	345.056702	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+2Cl"	69.938804
"550762"	500.100352	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+2Cl"	69.938804
"1022114"	190.013052	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2Cl"	69.938804
"1243149"	389.006185	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Br"	78.918885
"1304381"	391.062172	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Cl+HCOOH"	80.974872
"1320298"	413.044129	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Cl+NaCOOH"	102.956829
"911360"	423.072886	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M-H+CF3COOH"	112.985586
"1288536"	459.049564	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Cl+CF3COOH"	148.962264
"1367248"	275.074624	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H-2H2O"	-35.012676
"1383246"	293.0846	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H-H2O"	-17.0027
"284397"	621.181876	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+H"	1.007276
"676937"	931.269176	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+H"	1.007276
"1351504"	311.094576	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H"	1.007276
"128973"	311.094576	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+2H"	2.014552
"567804"	466.138226	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+2H"	2.014552
"1042438"	156.050926	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2H"	2.014552
"205599"	207.732142666667	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+3H"	3.021828
"647713"	311.094576	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+3H"	3.021828
"1163772"	104.369709333333	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+3H"	3.021828
"426195"	638.208423	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+NH4"	18.033823
"787919"	948.295723	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+NH4"	18.033823
"1681815"	328.121123	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+NH4"	18.033823
"334716"	319.6078495	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+H+NH4"	19.041099
"723732"	474.6514995	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+H+NH4"	19.041099
"1480961"	164.5641995	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H+NH4"	19.041099
"406206"	643.163818	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+Na"	22.989218
"765015"	953.251118	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+Na"	22.989218
"1612019"	333.076518	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Na"	22.989218
"325338"	322.085547	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+H+Na"	23.996494
"717758"	477.129197	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+H+Na"	23.996494
"1469399"	167.041897	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H+Na"	23.996494
"1060463"	111.697023333333	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2H+Na"	25.00377
"1270892"	343.120786	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+CH3OH+H"	33.033486
"390558"	659.137758	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+K"	38.963158
"749367"	969.225058	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+K"	38.963158
"1549234"	349.050458	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+K"	38.963158
"308594"	330.072517	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+H+K"	39.970434
"699922"	485.116167	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+H+K"	39.970434
"1458114"	175.028867	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H+K"	39.970434
"249995"	662.208426	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+ACN+H"	42.033826
"1222703"	352.121126	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+ACN+H"	42.033826
"1202215"	176.564201	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+ACN+2H"	43.041102
"197272"	665.14576	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+2Na-H"	44.97116
"636833"	975.23306	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+2Na-H"	44.97116
"1138149"	355.05846	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2Na-H"	44.97116
"174879"	333.076518	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+2Na"	45.978436
"615533"	488.120168	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+2Na"	45.978436
"1124513"	178.032868	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2Na"	45.978436
"1403295"	119.024337333333	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H+2Na"	46.985712
"1434318"	357.100046	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H+HCOOH"	47.012746
"226567"	338.10954	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+3H2O+2H"	56.04448
"1509889"	371.15209	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+IsoProp+H"	61.06479
"411763"	341.063488	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+Na+K"	61.952376
"770572"	496.107138	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+Na+K"	61.952376
"1666171"	186.019838	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Na+K"	61.952376
"252081"	684.190368	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+ACN+Na"	64.015768
"1226001"	374.103068	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+ACN+Na"	64.015768
"1712736"	374.126593	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+NH4+HCOOH"	64.039293
"1179231"	126.351651333333	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+3Na"	68.967654
"1652821"	379.081988	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Na+HCOOH"	68.994688
"161868"	697.09364	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+2K-H"	76.91904
"603617"	1007.18094	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+2K-H"	76.91904
"1090319"	387.00634	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2K-H"	76.91904
"151509"	349.050458	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"2M+2K"	77.926316
"587788"	504.094108	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"3M+2K"	77.926316
"1078861"	194.006808	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2K"	77.926316
"1102229"	389.020892	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2K+H"	78.933592
"1346268"	389.108507	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+DMSO+H"	79.021207
"1014799"	393.147676	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2ACN+H"	83.060376
"1532924"	394.141308	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+IsoProp+Na+H"	84.054008
"991717"	197.077476	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+2ACN+2H"	84.067652
"1591688"	395.055928	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+K+HCOOH"	84.968628
"1415160"	425.087438	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+H+CF3COOH"	115.000138
"1155290"	217.590751	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+3ACN+2H"	125.094202
"1700468"	442.113985	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+NH4+CF3COOH"	132.026685
"1649124"	447.06938	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+Na+CF3COOH"	136.98208
"1577242"	463.04332	"C11096"	"Croconazole"	"C18H15ClN2O"	"310.0873"	"M+K+CF3COOH"	152.95602
"807609"	381.0474	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M"	0
"977862"	362.02901	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-H2O-H"	-19.01839
"65010"	253.024324	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M-3H"	-3.021828
"503354"	380.040124	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M-3H"	-3.021828
"894040"	126.008524	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-3H"	-3.021828
"6416"	380.040124	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M-2H"	-2.014552
"455651"	570.563824	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M-2H"	-2.014552
"830708"	189.516424	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-2H"	-2.014552
"92888"	761.087524	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M-H"	-1.007276
"527707"	1142.134924	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M-H"	-1.007276
"905508"	380.040124	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-H"	-1.007276
"54416"	778.114071	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M-2H+NH4"	16.019271
"492882"	1159.161471	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M-2H+NH4"	16.019271
"870682"	397.066671	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-2H+NH4"	16.019271
"34574"	783.069466	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M-2H+Na"	20.974666
"474129"	1164.116866	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M-2H+Na"	20.974666
"862513"	402.022066	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-2H+Na"	20.974666
"1626579"	402.022066	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Na-2H"	20.974666
"97640"	398.028463	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M-H+Cl"	33.962126
"538293"	588.552163	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M-H+Cl"	33.962126
"937276"	207.504763	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-H+Cl"	33.962126
"273647"	797.064202	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+Cl"	34.969402
"668256"	1178.111602	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+Cl"	34.969402
"1282847"	416.016802	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Cl"	34.969402
"22123"	799.043406	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M-2H+K"	36.948606
"456703"	1180.090806	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M-2H+K"	36.948606
"835114"	417.996006	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-2H+K"	36.948606
"1558601"	417.996006	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+K-2H"	36.948606
"945754"	426.045594	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-H+HCOOH"	44.998194
"364699"	807.093001	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+HCOOH-H"	44.998201
"348220"	821.108651	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+Hac-H"	59.013851
"1493887"	440.061251	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Hac-H"	59.013851
"959490"	448.027551	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-H+NaCOOH"	66.980151
"110948"	416.016802	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+2Cl"	69.938804
"553790"	606.540502	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+2Cl"	69.938804
"1025140"	225.493102	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2Cl"	69.938804
"1245812"	459.966285	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Br"	78.918885
"1307531"	462.022272	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Cl+HCOOH"	80.974872
"1323208"	484.004229	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Cl+NaCOOH"	102.956829
"911424"	494.032986	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M-H+CF3COOH"	112.985586
"1288790"	530.009664	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Cl+CF3COOH"	148.962264
"1368414"	346.034724	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H-2H2O"	-35.012676
"1382760"	364.0447	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H-H2O"	-17.0027
"283775"	763.102076	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+H"	1.007276
"676563"	1144.149476	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+H"	1.007276
"1352061"	382.054676	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H"	1.007276
"127626"	382.054676	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+2H"	2.014552
"567915"	572.578376	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+2H"	2.014552
"1048016"	191.530976	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2H"	2.014552
"212636"	255.038876	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+3H"	3.021828
"653292"	382.054676	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+3H"	3.021828
"1167041"	128.023076	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+3H"	3.021828
"429222"	780.128623	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+NH4"	18.033823
"792403"	1161.176023	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+NH4"	18.033823
"1689826"	399.081223	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+NH4"	18.033823
"337013"	390.5679495	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+H+NH4"	19.041099
"728341"	581.0916495	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+H+NH4"	19.041099
"1482165"	200.0442495	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H+NH4"	19.041099
"407410"	785.084018	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+Na"	22.989218
"769744"	1166.131418	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+Na"	22.989218
"1615409"	404.036618	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Na"	22.989218
"326542"	393.045647	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+H+Na"	23.996494
"717869"	583.569347	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+H+Na"	23.996494
"1472790"	202.521947	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H+Na"	23.996494
"1067499"	135.35039	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2H+Na"	25.00377
"1266624"	414.080886	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+CH3OH+H"	33.033486
"389216"	801.057958	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+K"	38.963158
"750573"	1182.105358	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+K"	38.963158
"1550441"	420.010558	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+K"	38.963158
"311986"	401.032617	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+H+K"	39.970434
"706229"	591.556317	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+H+K"	39.970434
"1460698"	210.508917	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H+K"	39.970434
"246826"	804.128626	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+ACN+H"	42.033826
"1222086"	423.081226	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+ACN+H"	42.033826
"1207064"	212.044251	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+ACN+2H"	43.041102
"197382"	807.06596	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+2Na-H"	44.97116
"636943"	1188.11336	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+2Na-H"	44.97116
"1138259"	426.01856	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2Na-H"	44.97116
"174989"	404.036618	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+2Na"	45.978436
"614791"	594.560318	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+2Na"	45.978436
"1126809"	213.512918	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2Na"	45.978436
"1407049"	142.677704	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H+2Na"	46.985712
"1441355"	428.060146	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H+HCOOH"	47.012746
"232143"	409.06964	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+3H2O+2H"	56.04448
"1516925"	442.11219	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+IsoProp+H"	61.06479
"419893"	412.023588	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+Na+K"	61.952376
"777607"	602.547288	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+Na+K"	61.952376
"1671752"	221.499888	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Na+K"	61.952376
"257178"	826.110568	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+ACN+Na"	64.015768
"1228062"	445.063168	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+ACN+Na"	64.015768
"1714396"	445.086693	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+NH4+HCOOH"	64.039293
"1179505"	150.005018	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+3Na"	68.967654
"1655119"	450.042088	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Na+HCOOH"	68.994688
"161979"	839.01384	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+2K-H"	76.91904
"602634"	1220.06124	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+2K-H"	76.91904
"1096989"	457.96644	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2K-H"	76.91904
"151619"	420.010558	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"2M+2K"	77.926316
"586805"	610.534258	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"3M+2K"	77.926316
"1078971"	229.486858	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2K"	77.926316
"1102339"	459.980992	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2K+H"	78.933592
"1344192"	460.068607	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+DMSO+H"	79.021207
"1013816"	464.107776	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2ACN+H"	83.060376
"1533034"	465.101408	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+IsoProp+Na+H"	84.054008
"995107"	232.557526	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+2ACN+2H"	84.067652
"1591798"	466.016028	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+K+HCOOH"	84.968628
"1416358"	496.047538	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+H+CF3COOH"	115.000138
"1149932"	253.070801	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+3ACN+2H"	125.094202
"1700578"	513.074085	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+NH4+CF3COOH"	132.026685
"1649355"	518.02948	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+Na+CF3COOH"	136.98208
"1580632"	534.00342	"C11097"	"F5231"	"C12H14ClF2N5O3S"	"381.0474"	"M+K+CF3COOH"	152.95602
"807719"	421.2002	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M"	0
"977972"	402.18181	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-H2O-H"	-19.01839
"63661"	279.792857333333	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M-3H"	-3.021828
"503587"	420.192924	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M-3H"	-3.021828
"893420"	139.392790666667	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-3H"	-3.021828
"6526"	420.192924	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M-2H"	-2.014552
"454110"	630.793024	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M-2H"	-2.014552
"828265"	209.592824	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-2H"	-2.014552
"91175"	841.393124	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M-H"	-1.007276
"527817"	1262.593324	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M-H"	-1.007276
"905618"	420.192924	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-H"	-1.007276
"51247"	858.419671	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M-2H+NH4"	16.019271
"491900"	1279.619871	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M-2H+NH4"	16.019271
"869699"	437.219471	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-2H+NH4"	16.019271
"35046"	863.375066	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M-2H+Na"	20.974666
"473026"	1284.575266	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M-2H+Na"	20.974666
"861895"	442.174866	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-2H+Na"	20.974666
"1629969"	442.174866	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Na-2H"	20.974666
"99937"	438.181263	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M-H+Cl"	33.962126
"538403"	648.781363	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M-H+Cl"	33.962126
"934106"	227.581163	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-H+Cl"	33.962126
"267271"	877.369802	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+Cl"	34.969402
"668366"	1298.570002	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+Cl"	34.969402
"1280769"	456.169602	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Cl"	34.969402
"22233"	879.349006	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M-2H+K"	36.948606
"459610"	1300.549206	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M-2H+K"	36.948606
"835222"	458.148806	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-2H+K"	36.948606
"1555994"	458.148806	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+K-2H"	36.948606
"946593"	466.198394	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-H+HCOOH"	44.998194
"364444"	887.398601	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+HCOOH-H"	44.998201
"349789"	901.414251	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+Hac-H"	59.013851
"1494120"	480.214051	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Hac-H"	59.013851
"959600"	488.180351	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-H+NaCOOH"	66.980151
"111785"	456.169602	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+2Cl"	69.938804
"553900"	666.769702	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+2Cl"	69.938804
"1024886"	245.569502	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2Cl"	69.938804
"1245558"	500.119085	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Br"	78.918885
"1309100"	502.175072	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Cl+HCOOH"	80.974872
"1325141"	524.157029	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Cl+NaCOOH"	102.956829
"912552"	534.185786	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M-H+CF3COOH"	112.985586
"1288697"	570.162464	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Cl+CF3COOH"	148.962264
"1372171"	386.187524	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H-2H2O"	-35.012676
"1382851"	404.1975	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H-H2O"	-17.0027
"283399"	843.407676	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+H"	1.007276
"675850"	1264.607876	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+H"	1.007276
"1351353"	422.207476	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H"	1.007276
"126033"	422.207476	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+2H"	2.014552
"565950"	632.807576	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+2H"	2.014552
"1044847"	211.607376	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2H"	2.014552
"209466"	281.807409333333	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+3H"	3.021828
"650121"	422.207476	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+3H"	3.021828
"1163871"	141.407342666667	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+3H"	3.021828
"428238"	860.434223	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+NH4"	18.033823
"789233"	1281.634423	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+NH4"	18.033823
"1683376"	439.234023	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+NH4"	18.033823
"333843"	430.7207495	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+H+NH4"	19.041099
"723712"	641.3208495	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+H+NH4"	19.041099
"1482275"	220.1206495	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H+NH4"	19.041099
"406426"	865.389618	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+Na"	22.989218
"763047"	1286.589818	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+Na"	22.989218
"1614426"	444.189418	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Na"	22.989218
"327745"	433.198447	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+H+Na"	23.996494
"716885"	643.798547	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+H+Na"	23.996494
"1475816"	222.598347	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H+Na"	23.996494
"1067245"	148.734656666667	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2H+Na"	25.00377
"1267827"	454.233686	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+CH3OH+H"	33.033486
"390777"	881.363558	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+K"	38.963158
"751776"	1302.563758	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+K"	38.963158
"1553465"	460.163358	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+K"	38.963158
"313190"	441.185417	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+H+K"	39.970434
"705245"	651.785517	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+H+K"	39.970434
"1461130"	230.585317	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H+K"	39.970434
"246936"	884.434226	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+ACN+H"	42.033826
"1221831"	463.234026	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+ACN+H"	42.033826
"1205716"	232.120651	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+ACN+2H"	43.041102
"196763"	887.37156	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+2Na-H"	44.97116
"637053"	1308.57176	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+2Na-H"	44.97116
"1138369"	466.17136	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2Na-H"	44.97116
"175462"	444.189418	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+2Na"	45.978436
"616119"	654.789518	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+2Na"	45.978436
"1128012"	233.589318	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2Na"	45.978436
"1407159"	156.061970666667	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H+2Na"	46.985712
"1441465"	468.212946	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H+HCOOH"	47.012746
"232253"	449.22244	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+3H2O+2H"	56.04448
"1515942"	482.26499	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+IsoProp+H"	61.06479
"420003"	452.176388	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+Na+K"	61.952376
"774437"	662.776488	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+Na+K"	61.952376
"1671862"	241.576288	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Na+K"	61.952376
"258381"	906.416168	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+ACN+Na"	64.015768
"1227444"	485.215968	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+ACN+Na"	64.015768
"1716696"	485.239493	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+NH4+HCOOH"	64.039293
"1178806"	163.389284666667	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+3Na"	68.967654
"1655229"	490.194888	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Na+HCOOH"	68.994688
"160996"	919.31944	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+2K-H"	76.91904
"602744"	1340.51964	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+2K-H"	76.91904
"1096006"	498.11924	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2K-H"	76.91904
"151729"	460.163358	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"2M+2K"	77.926316
"586915"	670.763458	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"3M+2K"	77.926316
"1075801"	249.563258	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2K"	77.926316
"1107917"	500.133792	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2K+H"	78.933592
"1342115"	500.221407	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+DMSO+H"	79.021207
"1012833"	504.260576	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2ACN+H"	83.060376
"1536426"	505.254208	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+IsoProp+Na+H"	84.054008
"999592"	252.633926	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+2ACN+2H"	84.067652
"1591908"	506.168828	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+K+HCOOH"	84.968628
"1415014"	536.200338	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+H+CF3COOH"	115.000138
"1152230"	273.147201	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+3ACN+2H"	125.094202
"1702877"	553.226885	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+NH4+CF3COOH"	132.026685
"1639624"	558.18228	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+Na+CF3COOH"	136.98208
"1580742"	574.15622	"C11098"	"Fenpyroximate"	"C24H27N3O4"	"421.2002"	"M+K+CF3COOH"	152.95602
"811109"	435.9387	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M"	0
"981363"	416.92031	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-H2O-H"	-19.01839
"75074"	289.618524	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M-3H"	-3.021828
"517434"	434.931424	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M-3H"	-3.021828
"893534"	144.305624	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-3H"	-3.021828
"13931"	434.931424	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M-2H"	-2.014552
"454222"	652.900774	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M-2H"	-2.014552
"829471"	216.962074	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-2H"	-2.014552
"89828"	870.870124	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M-H"	-1.007276
"526835"	1306.808824	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M-H"	-1.007276
"899169"	434.931424	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-H"	-1.007276
"54638"	887.896671	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M-2H+NH4"	16.019271
"488731"	1323.835371	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M-2H+NH4"	16.019271
"867623"	451.957971	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-2H+NH4"	16.019271
"33700"	892.852066	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M-2H+Na"	20.974666
"473994"	1328.790766	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M-2H+Na"	20.974666
"860186"	456.913366	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-2H+Na"	20.974666
"1630446"	456.913366	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Na-2H"	20.974666
"103327"	452.919763	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M-H+Cl"	33.962126
"538513"	670.889113	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M-H+Cl"	33.962126
"934216"	234.950413	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-H+Cl"	33.962126
"267341"	906.846802	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+Cl"	34.969402
"668476"	1342.785502	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+Cl"	34.969402
"1279787"	470.908102	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Cl"	34.969402
"22348"	908.826006	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M-2H+K"	36.948606
"459720"	1344.764706	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M-2H+K"	36.948606
"840803"	472.887306	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-2H+K"	36.948606
"1557728"	472.887306	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+K-2H"	36.948606
"945611"	480.936894	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-H+HCOOH"	44.998194
"365286"	916.875601	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+HCOOH-H"	44.998201
"347349"	930.891251	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+Hac-H"	59.013851
"1494351"	494.952551	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Hac-H"	59.013851
"958983"	502.918851	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-H+NaCOOH"	66.980151
"110804"	470.908102	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+2Cl"	69.938804
"552553"	688.877452	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+2Cl"	69.938804
"1024633"	252.938752	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2Cl"	69.938804
"1245305"	514.857585	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Br"	78.918885
"1307025"	516.913572	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Cl+HCOOH"	80.974872
"1325249"	538.895529	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Cl+NaCOOH"	102.956829
"911526"	548.924286	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M-H+CF3COOH"	112.985586
"1288688"	584.900964	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Cl+CF3COOH"	148.962264
"1372281"	400.926024	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H-2H2O"	-35.012676
"1384309"	418.936	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H-H2O"	-17.0027
"282897"	872.884676	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+H"	1.007276
"675887"	1308.823376	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+H"	1.007276
"1352036"	436.945976	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H"	1.007276
"126381"	436.945976	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+2H"	2.014552
"565786"	654.915326	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+2H"	2.014552
"1043864"	218.976626	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2H"	2.014552
"211765"	291.633076	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+3H"	3.021828
"646950"	436.945976	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+3H"	3.021828
"1163981"	146.320176	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+3H"	3.021828
"430534"	889.911223	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+NH4"	18.033823
"790437"	1325.849923	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+NH4"	18.033823
"1683486"	453.972523	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+NH4"	18.033823
"333954"	445.4592495	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+H+NH4"	19.041099
"725281"	663.4285995	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+H+NH4"	19.041099
"1480198"	227.4898995	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H+NH4"	19.041099
"406536"	894.866618	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+Na"	22.989218
"768142"	1330.805318	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+Na"	22.989218
"1613444"	458.927918	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Na"	22.989218
"324575"	447.936947	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+H+Na"	23.996494
"715902"	665.906297	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+H+Na"	23.996494
"1474104"	229.967597	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H+Na"	23.996494
"1065898"	153.64749	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2H+Na"	25.00377
"1270858"	468.972186	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+CH3OH+H"	33.033486
"391255"	910.840558	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+K"	38.963158
"751522"	1346.779258	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+K"	38.963158
"1552846"	474.901858	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+K"	38.963158
"311113"	455.923917	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+H+K"	39.970434
"704626"	673.893267	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+H+K"	39.970434
"1458445"	237.954567	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H+K"	39.970434
"244860"	913.911226	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+ACN+H"	42.033826
"1219755"	477.972526	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+ACN+H"	42.033826
"1205462"	239.489901	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+ACN+2H"	43.041102
"196510"	916.84856	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+2Na-H"	44.97116
"640444"	1352.78726	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+2Na-H"	44.97116
"1138480"	480.90986	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2Na-H"	44.97116
"180678"	458.927918	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+2Na"	45.978436
"619145"	676.897268	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+2Na"	45.978436
"1128487"	240.958568	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2Na"	45.978436
"1408368"	160.974804	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H+2Na"	46.985712
"1436111"	482.951446	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H+HCOOH"	47.012746
"231271"	463.96094	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+3H2O+2H"	56.04448
"1518242"	497.00349	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+IsoProp+H"	61.06479
"415741"	466.914888	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+Na+K"	61.952376
"775643"	684.884238	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+Na+K"	61.952376
"1670880"	248.945538	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Na+K"	61.952376
"256305"	935.893168	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+ACN+Na"	64.015768
"1232295"	499.954468	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+ACN+Na"	64.015768
"1716806"	499.977993	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+NH4+HCOOH"	64.039293
"1178875"	168.302118	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+3Na"	68.967654
"1657526"	504.933388	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Na+HCOOH"	68.994688
"160013"	948.79644	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+2K-H"	76.91904
"609415"	1384.73514	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+2K-H"	76.91904
"1097209"	512.85774	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2K-H"	76.91904
"151839"	474.901858	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"2M+2K"	77.926316
"590306"	692.871208	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"3M+2K"	77.926316
"1080286"	256.932508	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2K"	77.926316
"1111309"	514.872292	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2K+H"	78.933592
"1342226"	514.959907	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+DMSO+H"	79.021207
"1018411"	518.999076	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2ACN+H"	83.060376
"1536537"	519.992708	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+IsoProp+Na+H"	84.054008
"1002984"	260.003176	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+2ACN+2H"	84.067652
"1598580"	520.907328	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+K+HCOOH"	84.968628
"1420959"	550.938838	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+H+CF3COOH"	115.000138
"1156715"	280.516451	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+3ACN+2H"	125.094202
"1708455"	567.965385	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+NH4+CF3COOH"	132.026685
"1643012"	572.92078	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+Na+CF3COOH"	136.98208
"1574291"	588.89472	"C11099"	"Fipronil"	"C12H4Cl2F6N4OS"	"435.9387"	"M+K+CF3COOH"	152.95602
"814501"	311.0092	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M"	0
"984754"	291.99081	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-H2O-H"	-19.01839
"75913"	206.332190666667	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M-3H"	-3.021828
"517426"	310.001924	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M-3H"	-3.021828
"894377"	102.662457333333	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-3H"	-3.021828
"14894"	310.001924	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M-2H"	-2.014552
"454697"	465.506524	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M-2H"	-2.014552
"825208"	154.497324	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-2H"	-2.014552
"90667"	621.011124	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M-H"	-1.007276
"528040"	932.020324	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M-H"	-1.007276
"905839"	310.001924	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-H"	-1.007276
"56571"	638.037671	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M-2H+NH4"	16.019271
"495401"	949.046871	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M-2H+NH4"	16.019271
"866642"	327.028471	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-2H+NH4"	16.019271
"33450"	642.993066	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M-2H+Na"	20.974666
"480667"	954.002266	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M-2H+Na"	20.974666
"862117"	331.983866	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-2H+Na"	20.974666
"1625820"	331.983866	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Na-2H"	20.974666
"105628"	327.990263	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M-H+Cl"	33.962126
"545554"	483.494863	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M-H+Cl"	33.962126
"937607"	172.485663	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-H+Cl"	33.962126
"276169"	656.987802	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+Cl"	34.969402
"668589"	967.997002	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+Cl"	34.969402
"1272801"	345.978602	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Cl"	34.969402
"19904"	658.967006	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M-2H+K"	36.948606
"457278"	969.976206	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M-2H+K"	36.948606
"837632"	347.957806	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-2H+K"	36.948606
"1557835"	347.957806	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+K-2H"	36.948606
"944989"	356.007394	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-H+HCOOH"	44.998194
"365759"	667.016601	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+HCOOH-H"	44.998201
"351103"	681.032251	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+Hac-H"	59.013851
"1494467"	370.023051	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Hac-H"	59.013851
"960551"	377.989351	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-H+NaCOOH"	66.980151
"112738"	345.978602	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+2Cl"	69.938804
"552662"	501.483202	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+2Cl"	69.938804
"1024744"	190.474002	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2Cl"	69.938804
"1243227"	389.928085	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Br"	78.918885
"1308227"	391.984072	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Cl+HCOOH"	80.974872
"1325359"	413.966029	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Cl+NaCOOH"	102.956829
"913503"	423.994786	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M-H+CF3COOH"	112.985586
"1291675"	459.971464	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Cl+CF3COOH"	148.962264
"1372391"	275.996524	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H-2H2O"	-35.012676
"1395355"	294.0065	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H-H2O"	-17.0027
"292856"	623.025676	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+H"	1.007276
"683091"	934.034876	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+H"	1.007276
"1356160"	312.016476	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H"	1.007276
"132329"	312.016476	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+2H"	2.014552
"569702"	467.521076	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+2H"	2.014552
"1045067"	156.511876	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2H"	2.014552
"206406"	208.346742666667	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+3H"	3.021828
"652528"	312.016476	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+3H"	3.021828
"1169560"	104.677009333333	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+3H"	3.021828
"428457"	640.052223	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+NH4"	18.033823
"793827"	951.061423	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+NH4"	18.033823
"1684690"	329.043023	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+NH4"	18.033823
"334064"	320.5297495	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+H+NH4"	19.041099
"725391"	476.0343495	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+H+NH4"	19.041099
"1480308"	165.0251495	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H+NH4"	19.041099
"406282"	645.007618	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+Na"	22.989218
"767524"	956.016818	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+Na"	22.989218
"1613554"	333.998418	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Na"	22.989218
"325778"	323.007447	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+H+Na"	23.996494
"714918"	478.512047	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+H+Na"	23.996494
"1475185"	167.502847	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H+Na"	23.996494
"1065522"	112.004323333333	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2H+Na"	25.00377
"1270117"	344.042686	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+CH3OH+H"	33.033486
"387721"	660.981558	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+K"	38.963158
"751631"	971.990758	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+K"	38.963158
"1550768"	349.972358	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+K"	38.963158
"309034"	330.994417	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+H+K"	39.970434
"700362"	486.499017	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+H+K"	39.970434
"1456368"	175.489817	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H+K"	39.970434
"244970"	664.052226	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+ACN+H"	42.033826
"1219501"	353.043026	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+ACN+H"	42.033826
"1203749"	177.025151	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+ACN+2H"	43.041102
"196619"	666.98956	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+2Na-H"	44.97116
"641650"	977.99876	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+2Na-H"	44.97116
"1138591"	355.98036	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2Na-H"	44.97116
"180788"	333.998418	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+2Na"	45.978436
"619255"	489.503018	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+2Na"	45.978436
"1127139"	178.493818	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2Na"	45.978436
"1407384"	119.331637333333	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H+2Na"	46.985712
"1432573"	358.021946	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H+HCOOH"	47.012746
"228100"	339.03144	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+3H2O+2H"	56.04448
"1515070"	372.07399	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+IsoProp+H"	61.06479
"416945"	341.985388	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+Na+K"	61.952376
"773566"	497.489988	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+Na+K"	61.952376
"1669896"	186.480788	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Na+K"	61.952376
"257507"	686.034168	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+ACN+Na"	64.015768
"1228030"	375.024968	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+ACN+Na"	64.015768
"1712794"	375.048493	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+NH4+HCOOH"	64.039293
"1179025"	126.658951333333	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+3Na"	68.967654
"1657636"	380.003888	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Na+HCOOH"	68.994688
"160123"	698.93744	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+2K-H"	76.91904
"609161"	1009.94664	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+2K-H"	76.91904
"1096591"	387.92824	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2K-H"	76.91904
"151949"	349.972358	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"2M+2K"	77.926316
"589323"	505.476958	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"3M+2K"	77.926316
"1080396"	194.467758	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2K"	77.926316
"1109233"	389.942792	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2K+H"	78.933592
"1341242"	390.030407	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+DMSO+H"	79.021207
"1017428"	394.069576	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2ACN+H"	83.060376
"1535554"	395.063208	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+IsoProp+Na+H"	84.054008
"1002000"	197.538426	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+2ACN+2H"	84.067652
"1591035"	395.977828	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+K+HCOOH"	84.968628
"1422162"	426.009338	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+H+CF3COOH"	115.000138
"1157556"	218.051701	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+3ACN+2H"	125.094202
"1706377"	443.035885	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+NH4+CF3COOH"	132.026685
"1646403"	447.99128	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+Na+CF3COOH"	136.98208
"1575494"	463.96522	"C11100"	"Flurochloridone;Raiser"	"C12H10Cl2F3NO"	"311.0092"	"M+K+CF3COOH"	152.95602
"808049"	126.0317	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M"	0
"984864"	107.01331	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-H2O-H"	-19.01839
"75294"	83.0138573333333	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M-3H"	-3.021828
"515948"	125.024424	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M-3H"	-3.021828
"892662"	41.0032906666667	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-3H"	-3.021828
"13788"	125.024424	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M-2H"	-2.014552
"452253"	188.040274	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M-2H"	-2.014552
"826411"	62.008574	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-2H"	-2.014552
"87497"	251.056124	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M-H"	-1.007276
"525965"	377.087824	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M-H"	-1.007276
"903764"	125.024424	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-H"	-1.007276
"55952"	268.082671	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M-2H+NH4"	16.019271
"492231"	394.114371	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M-2H+NH4"	16.019271
"866873"	142.050971	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-2H+NH4"	16.019271
"33681"	273.038066	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M-2H+Na"	20.974666
"478591"	399.069766	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M-2H+Na"	20.974666
"862958"	147.006366	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-2H+Na"	20.974666
"1627023"	147.006366	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Na-2H"	20.974666
"107196"	143.012763	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M-H+Cl"	33.962126
"543113"	206.028613	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M-H+Cl"	33.962126
"937717"	79.996913	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-H+Cl"	33.962126
"276279"	287.032802	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+Cl"	34.969402
"667606"	413.064502	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+Cl"	34.969402
"1272997"	161.001102	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Cl"	34.969402
"18192"	289.012006	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M-2H+K"	36.948606
"456780"	415.043706	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M-2H+K"	36.948606
"837743"	162.980306	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-2H+K"	36.948606
"1556855"	162.980306	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+K-2H"	36.948606
"945469"	171.029894	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-H+HCOOH"	44.998194
"371705"	297.061601	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+HCOOH-H"	44.998201
"351578"	311.077251	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+Hac-H"	59.013851
"1495671"	185.045551	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Hac-H"	59.013851
"960297"	193.011851	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-H+NaCOOH"	66.980151
"115036"	161.001102	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+2Cl"	69.938804
"553503"	224.016952	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+2Cl"	69.938804
"1022300"	97.985252	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2Cl"	69.938804
"1244067"	204.950585	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Br"	78.918885
"1307973"	207.006572	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Cl+HCOOH"	80.974872
"1322188"	228.988529	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Cl+NaCOOH"	102.956829
"912519"	239.017286	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M-H+CF3COOH"	112.985586
"1291056"	274.993964	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Cl+CF3COOH"	148.962264
"1372501"	91.019024	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H-2H2O"	-35.012676
"1395465"	109.029	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H-H2O"	-17.0027
"295882"	253.070676	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+H"	1.007276
"686481"	379.102376	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+H"	1.007276
"1357364"	127.038976	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H"	1.007276
"131347"	127.038976	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+2H"	2.014552
"570906"	190.054826	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+2H"	2.014552
"1045176"	64.023126	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2H"	2.014552
"214171"	85.0284093333333	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+3H"	3.021828
"649357"	127.038976	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+3H"	3.021828
"1169670"	43.0178426666667	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+3H"	3.021828
"427474"	270.097223	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+NH4"	18.033823
"792844"	396.128923	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+NH4"	18.033823
"1682125"	144.065523	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+NH4"	18.033823
"334172"	135.5522495	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+H+NH4"	19.041099
"726595"	198.5680995	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+H+NH4"	19.041099
"1483697"	72.5363995	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H+NH4"	19.041099
"406756"	275.052618	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+Na"	22.989218
"766658"	401.084318	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+Na"	22.989218
"1611476"	149.020918	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Na"	22.989218
"325888"	138.029947	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+H+Na"	23.996494
"710654"	201.045797	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+H+Na"	23.996494
"1473229"	75.014097	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H+Na"	23.996494
"1066481"	50.3451566666667	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2H+Na"	25.00377
"1269254"	159.065186	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+CH3OH+H"	33.033486
"386738"	291.026558	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+K"	38.963158
"749190"	417.058258	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+K"	38.963158
"1550513"	164.994858	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+K"	38.963158
"309144"	146.016917	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+H+K"	39.970434
"701565"	209.032767	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+H+K"	39.970434
"1458300"	83.001067	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H+K"	39.970434
"247266"	294.097226	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+ACN+H"	42.033826
"1222525"	168.065526	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+ACN+H"	42.033826
"1203858"	84.536401	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+ACN+2H"	43.041102
"196729"	297.03456	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+2Na-H"	44.97116
"639208"	423.06626	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+2Na-H"	44.97116
"1140160"	171.00286	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2Na-H"	44.97116
"182357"	149.020918	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+2Na"	45.978436
"616449"	212.036768	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+2Na"	45.978436
"1123969"	86.005068	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2Na"	45.978436
"1405308"	57.6724706666667	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H+2Na"	46.985712
"1431591"	173.044446	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H+HCOOH"	47.012746
"227117"	154.05394	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+3H2O+2H"	56.04448
"1514087"	187.09649	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+IsoProp+H"	61.06479
"413774"	157.007888	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+Na+K"	61.952376
"771852"	220.023738	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+Na+K"	61.952376
"1667820"	93.992038	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Na+K"	61.952376
"252026"	316.079168	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+ACN+Na"	64.015768
"1226680"	190.047468	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+ACN+Na"	64.015768
"1713130"	190.070993	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+NH4+HCOOH"	64.039293
"1178850"	64.9997846666667	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+3Na"	68.967654
"1656653"	195.026388	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Na+HCOOH"	68.994688
"160233"	328.98244	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+2K-H"	76.91904
"603075"	455.01414	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+2K-H"	76.91904
"1094149"	202.95074	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2K-H"	76.91904
"148779"	164.994858	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"2M+2K"	77.926316
"589433"	228.010708	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"3M+2K"	77.926316
"1078320"	101.979008	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2K"	77.926316
"1109343"	204.965292	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2K+H"	78.933592
"1341354"	205.052907	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+DMSO+H"	79.021207
"1018269"	209.092076	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2ACN+H"	83.060376
"1534573"	210.085708	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+IsoProp+Na+H"	84.054008
"998830"	105.049676	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+2ACN+2H"	84.067652
"1595519"	211.000328	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+K+HCOOH"	84.968628
"1426649"	241.031838	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+H+CF3COOH"	115.000138
"1157666"	125.562951	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+3ACN+2H"	125.094202
"1710864"	258.058385	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+NH4+CF3COOH"	132.026685
"1634603"	263.01378	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+Na+CF3COOH"	136.98208
"1574511"	278.98772	"C11101"	"5-Hydroxymethyl-2-furaldehyde;HMF;5-Hydroxymethylfurfural"	"C6H6O3"	"126.0317"	"M+K+CF3COOH"	152.95602
"808159"	261.0849	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M"	0
"984974"	242.06651	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-H2O-H"	-19.01839
"74311"	173.049324	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M-3H"	-3.021828
"517151"	260.077624	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M-3H"	-3.021828
"894590"	86.021024	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-3H"	-3.021828
"10256"	260.077624	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M-2H"	-2.014552
"452366"	390.620074	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M-2H"	-2.014552
"825430"	129.535174	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-2H"	-2.014552
"88337"	521.162524	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M-H"	-1.007276
"527169"	782.247424	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M-H"	-1.007276
"902782"	260.077624	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-H"	-1.007276
"53876"	538.189071	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M-2H+NH4"	16.019271
"492341"	799.273971	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M-2H+NH4"	16.019271
"869049"	277.104171	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-2H+NH4"	16.019271
"34763"	543.144466	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M-2H+Na"	20.974666
"481981"	804.229366	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M-2H+Na"	20.974666
"859787"	282.059566	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-2H+Na"	20.974666
"1624947"	282.059566	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Na-2H"	20.974666
"103661"	278.065963	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M-H+Cl"	33.962126
"544316"	408.608413	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M-H+Cl"	33.962126
"934547"	147.523513	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-H+Cl"	33.962126
"274203"	557.139202	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+Cl"	34.969402
"667717"	818.224102	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+Cl"	34.969402
"1274044"	296.054302	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Cl"	34.969402
"20489"	559.118406	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M-2H+K"	36.948606
"458227"	820.203306	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M-2H+K"	36.948606
"838946"	298.033506	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-2H+K"	36.948606
"1562435"	298.033506	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+K-2H"	36.948606
"944486"	306.083094	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-H+HCOOH"	44.998194
"363794"	567.168001	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+HCOOH-H"	44.998201
"352419"	581.183651	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+Hac-H"	59.013851
"1495051"	320.098751	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Hac-H"	59.013851
"963689"	328.065051	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-H+NaCOOH"	66.980151
"114417"	296.054302	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+2Cl"	69.938804
"551423"	426.596752	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+2Cl"	69.938804
"1022287"	165.511852	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2Cl"	69.938804
"1241866"	340.003785	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Br"	78.918885
"1309175"	342.059772	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Cl+HCOOH"	80.974872
"1321934"	364.041729	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Cl+NaCOOH"	102.956829
"913721"	374.070486	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M-H+CF3COOH"	112.985586
"1299917"	410.047164	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Cl+CF3COOH"	148.962264
"1382091"	226.072224	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H-2H2O"	-35.012676
"1389017"	244.0822	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H-H2O"	-17.0027
"295992"	523.177076	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+H"	1.007276
"681125"	784.261976	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+H"	1.007276
"1356382"	262.092176	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H"	1.007276
"133644"	262.092176	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+2H"	2.014552
"567004"	392.634626	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+2H"	2.014552
"1046381"	131.549726	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2H"	2.014552
"214281"	175.063876	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+3H"	3.021828
"650562"	262.092176	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+3H"	3.021828
"1172697"	88.035576	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+3H"	3.021828
"431961"	540.203623	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+NH4"	18.033823
"789674"	801.288523	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+NH4"	18.033823
"1690378"	279.118723	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+NH4"	18.033823
"334284"	270.6054495	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+H+NH4"	19.041099
"725612"	401.1478995	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+H+NH4"	19.041099
"1480893"	140.0629995	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H+NH4"	19.041099
"405773"	545.159018	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+Na"	22.989218
"760208"	806.243918	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+Na"	22.989218
"1609399"	284.074118	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Na"	22.989218
"321624"	273.083147	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+H+Na"	23.996494
"708941"	403.625597	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+H+Na"	23.996494
"1472246"	142.540697	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H+Na"	23.996494
"1067319"	95.36289	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2H+Na"	25.00377
"1267178"	294.118386	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+CH3OH+H"	33.033486
"384661"	561.132958	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+K"	38.963158
"750023"	822.217858	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+K"	38.963158
"1552076"	300.048058	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+K"	38.963158
"312897"	281.070117	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+H+K"	39.970434
"702767"	411.612567	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+H+K"	39.970434
"1457679"	150.527667	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H+K"	39.970434
"245188"	564.203626	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+ACN+H"	42.033826
"1222272"	303.118726	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+ACN+H"	42.033826
"1202876"	152.063001	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+ACN+2H"	43.041102
"197935"	567.14096	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+2Na-H"	44.97116
"639681"	828.22586	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+2Na-H"	44.97116
"1136989"	306.05606	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2Na-H"	44.97116
"185022"	284.074118	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+2Na"	45.978436
"617651"	414.616568	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+2Na"	45.978436
"1126266"	153.531668	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2Na"	45.978436
"1406512"	102.690204	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H+2Na"	46.985712
"1432066"	308.097646	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H+HCOOH"	47.012746
"227227"	289.10714	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+3H2O+2H"	56.04448
"1514197"	322.14969	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+IsoProp+H"	61.06479
"413884"	292.061088	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+Na+K"	61.952376
"771719"	422.603538	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+Na+K"	61.952376
"1669023"	161.518638	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Na+K"	61.952376
"252014"	586.185568	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+ACN+Na"	64.015768
"1226788"	325.100668	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+ACN+Na"	64.015768
"1713486"	325.124193	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+NH4+HCOOH"	64.039293
"1179446"	110.017518	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+3Na"	68.967654
"1657856"	330.079588	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Na+HCOOH"	68.994688
"160343"	599.08884	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+2K-H"	76.91904
"599905"	860.17374	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+2K-H"	76.91904
"1094259"	338.00394	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2K-H"	76.91904
"148894"	300.048058	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"2M+2K"	77.926316
"593555"	430.590508	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"3M+2K"	77.926316
"1078431"	169.505608	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2K"	77.926316
"1109453"	340.018492	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2K+H"	78.933592
"1348026"	340.106107	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+DMSO+H"	79.021207
"1014374"	344.145276	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2ACN+H"	83.060376
"1535778"	345.138908	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+IsoProp+Na+H"	84.054008
"1001129"	172.576276	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+2ACN+2H"	84.067652
"1597818"	346.053528	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+K+HCOOH"	84.968628
"1426759"	376.085038	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+H+CF3COOH"	115.000138
"1158140"	193.089551	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+3ACN+2H"	125.094202
"1709881"	393.111585	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+NH4+CF3COOH"	132.026685
"1634590"	398.06698	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+Na+CF3COOH"	136.98208
"1574621"	414.04092	"C11102"	"Hymexazol O-glucoside;HOG"	"C10H15NO7"	"261.0849"	"M+K+CF3COOH"	152.95602
"808272"	99.032	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M"	0
"988004"	80.01361	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-H2O-H"	-19.01839
"77339"	65.0140573333333	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M-3H"	-3.021828
"517267"	98.024724	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M-3H"	-3.021828
"893977"	32.0033906666667	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-3H"	-3.021828
"12188"	98.024724	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M-2H"	-2.014552
"453200"	147.540724	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M-2H"	-2.014552
"828455"	48.508724	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-2H"	-2.014552
"91361"	197.056724	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M-H"	-1.007276
"530556"	296.088724	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M-H"	-1.007276
"900702"	98.024724	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-H"	-1.007276
"52890"	214.083271	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M-2H+NH4"	16.019271
"494637"	313.115271	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M-2H+NH4"	16.019271
"875724"	115.051271	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-2H+NH4"	16.019271
"42534"	219.038666	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M-2H+Na"	20.974666
"483917"	318.070666	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M-2H+Na"	20.974666
"858440"	120.006666	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-2H+Na"	20.974666
"1626148"	120.006666	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Na-2H"	20.974666
"105956"	116.013063	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M-H+Cl"	33.962126
"541142"	165.529063	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M-H+Cl"	33.962126
"934661"	66.497063	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-H+Cl"	33.962126
"275406"	233.033402	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+Cl"	34.969402
"660015"	332.065402	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+Cl"	34.969402
"1273541"	134.001402	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Cl"	34.969402
"17319"	235.012606	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M-2H+K"	36.948606
"456511"	334.044606	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M-2H+K"	36.948606
"835046"	135.980606	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-2H+K"	36.948606
"1557437"	135.980606	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+K-2H"	36.948606
"943739"	144.030194	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-H+HCOOH"	44.998194
"366459"	243.062201	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+HCOOH-H"	44.998201
"347789"	257.077851	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+Hac-H"	59.013851
"1493818"	158.045851	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Hac-H"	59.013851
"960267"	166.012151	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-H+NaCOOH"	66.980151
"112333"	134.001402	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+2Cl"	69.938804
"551044"	183.517402	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+2Cl"	69.938804
"1022882"	84.485402	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2Cl"	69.938804
"1241489"	177.950885	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Br"	78.918885
"1308562"	180.006872	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Cl+HCOOH"	80.974872
"1323137"	201.988829	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Cl+NaCOOH"	102.956829
"918945"	212.017586	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M-H+CF3COOH"	112.985586
"1296747"	247.994264	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Cl+CF3COOH"	148.962264
"1381835"	64.019324	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H-2H2O"	-35.012676
"1397509"	82.0293	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H-H2O"	-17.0027
"293185"	199.071276	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+H"	1.007276
"681238"	298.103276	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+H"	1.007276
"1354305"	100.039276	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H"	1.007276
"127195"	100.039276	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+2H"	2.014552
"573316"	149.555276	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+2H"	2.014552
"1045397"	50.523276	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2H"	2.014552
"213298"	67.0286093333333	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+3H"	3.021828
"653953"	100.039276	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+3H"	3.021828
"1174265"	34.0179426666667	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+3H"	3.021828
"428791"	216.097823	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+NH4"	18.033823
"791972"	315.129823	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+NH4"	18.033823
"1687208"	117.065823	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+NH4"	18.033823
"335486"	108.5525495	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+H+NH4"	19.041099
"725722"	158.0685495	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+H+NH4"	19.041099
"1485011"	59.0365495	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H+NH4"	19.041099
"402603"	221.053218	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+Na"	22.989218
"761416"	320.085218	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+Na"	22.989218
"1609511"	122.021218	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Na"	22.989218
"322828"	111.030247	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+H+Na"	23.996494
"711973"	160.546247	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+H+Na"	23.996494
"1472364"	61.514247	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H+Na"	23.996494
"1067428"	41.3452566666667	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2H+Na"	25.00377
"1271658"	132.065486	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+CH3OH+H"	33.033486
"389138"	237.027158	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+K"	38.963158
"750134"	336.059158	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+K"	38.963158
"1550000"	137.995158	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+K"	38.963158
"306081"	119.017217	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+H+K"	39.970434
"701782"	168.533217	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+H+K"	39.970434
"1457426"	69.501217	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H+K"	39.970434
"246390"	240.097826	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+ACN+H"	42.033826
"1220195"	141.065826	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+ACN+H"	42.033826
"1204078"	71.036551	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+ACN+2H"	43.041102
"200960"	243.03516	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+2Na-H"	44.97116
"641613"	342.06716	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+2Na-H"	44.97116
"1142202"	144.00316	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2Na-H"	44.97116
"184397"	122.021218	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+2Na"	45.978436
"619218"	171.537218	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+2Na"	45.978436
"1122005"	72.505218	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2Na"	45.978436
"1405527"	48.6725706666667	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H+2Na"	46.985712
"1430594"	146.044746	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H+HCOOH"	47.012746
"220649"	127.05424	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+3H2O+2H"	56.04448
"1511028"	160.09679	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+IsoProp+H"	61.06479
"409619"	130.008188	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+Na+K"	61.952376
"771708"	179.524188	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+Na+K"	61.952376
"1668157"	80.492188	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Na+K"	61.952376
"252120"	262.079768	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+ACN+Na"	64.015768
"1226535"	163.047768	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+ACN+Na"	64.015768
"1714323"	163.071293	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+NH4+HCOOH"	64.039293
"1180041"	55.9998846666667	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+3Na"	68.967654
"1655052"	168.026688	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Na+HCOOH"	68.994688
"159361"	274.98304	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+2K-H"	76.91904
"600380"	374.01504	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+2K-H"	76.91904
"1094369"	175.95104	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2K-H"	76.91904
"142439"	137.995158	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"2M+2K"	77.926316
"591844"	187.511158	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"3M+2K"	77.926316
"1080365"	88.479158	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2K"	77.926316
"1112118"	177.965592	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2K+H"	78.933592
"1342674"	178.053207	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+DMSO+H"	79.021207
"1014484"	182.092376	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2ACN+H"	83.060376
"1533697"	183.086008	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+IsoProp+Na+H"	84.054008
"1001238"	91.549826	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+2ACN+2H"	84.067652
"1599025"	184.000628	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+K+HCOOH"	84.968628
"1426871"	214.032138	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+H+CF3COOH"	115.000138
"1152782"	112.063101	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+3ACN+2H"	125.094202
"1697350"	231.058685	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+NH4+CF3COOH"	132.026685
"1640171"	236.01408	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+Na+CF3COOH"	136.98208
"1574731"	251.98802	"C11103"	"Hymexazol"	"C4H5NO2"	"99.032"	"M+K+CF3COOH"	152.95602
"808379"	261.0849	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M"	0
"989330"	242.06651	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-H2O-H"	-19.01839
"77452"	173.049324	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M-3H"	-3.021828
"514098"	260.077624	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M-3H"	-3.021828
"893722"	86.021024	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-3H"	-3.021828
"11569"	260.077624	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M-2H"	-2.014552
"450034"	390.620074	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M-2H"	-2.014552
"825649"	129.535174	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-2H"	-2.014552
"86736"	521.162524	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M-H"	-1.007276
"528480"	782.247424	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M-H"	-1.007276
"903000"	260.077624	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-H"	-1.007276
"53000"	538.189071	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M-2H+NH4"	16.019271
"496936"	799.273971	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M-2H+NH4"	16.019271
"872556"	277.104171	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-2H+NH4"	16.019271
"43741"	543.144466	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M-2H+Na"	20.974666
"481842"	804.229366	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M-2H+Na"	20.974666
"858911"	282.059566	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-2H+Na"	20.974666
"1624071"	282.059566	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Na-2H"	20.974666
"100600"	278.065963	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M-H+Cl"	33.962126
"541253"	408.608413	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M-H+Cl"	33.962126
"930397"	147.523513	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-H+Cl"	33.962126
"271506"	557.139202	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+Cl"	34.969402
"662835"	818.224102	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+Cl"	34.969402
"1275967"	296.054302	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Cl"	34.969402
"22897"	559.118406	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M-2H+K"	36.948606
"456260"	820.203306	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M-2H+K"	36.948606
"836614"	298.033506	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-2H+K"	36.948606
"1556820"	298.033506	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+K-2H"	36.948606
"942890"	306.083094	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-H+HCOOH"	44.998194
"364015"	567.168001	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+HCOOH-H"	44.998201
"357016"	581.183651	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+Hac-H"	59.013851
"1493807"	320.098751	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Hac-H"	59.013851
"958920"	328.065051	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-H+NaCOOH"	66.980151
"110743"	296.054302	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+2Cl"	69.938804
"550669"	426.596752	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+2Cl"	69.938804
"1021377"	165.511852	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2Cl"	69.938804
"1241356"	340.003785	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Br"	78.918885
"1305752"	342.059772	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Cl+HCOOH"	80.974872
"1322518"	364.041729	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Cl+NaCOOH"	102.956829
"924523"	374.070486	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M-H+CF3COOH"	112.985586
"1302692"	410.047164	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Cl+CF3COOH"	148.962264
"1376115"	226.072224	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H-2H2O"	-35.012676
"1392518"	244.0822	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H-H2O"	-17.0027
"287830"	523.177076	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+H"	1.007276
"683535"	784.261976	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+H"	1.007276
"1356605"	262.092176	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H"	1.007276
"132777"	262.092176	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+2H"	2.014552
"571244"	392.634626	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+2H"	2.014552
"1043321"	131.549726	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2H"	2.014552
"212317"	175.063876	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+3H"	3.021828
"654063"	262.092176	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+3H"	3.021828
"1173282"	88.035576	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+3H"	3.021828
"434367"	540.203623	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+NH4"	18.033823
"790989"	801.288523	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+NH4"	18.033823
"1687319"	279.118723	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+NH4"	18.033823
"336691"	270.6054495	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+H+NH4"	19.041099
"725832"	401.1478995	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+H+NH4"	19.041099
"1477829"	140.0629995	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H+NH4"	19.041099
"401621"	545.159018	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+Na"	22.989218
"762615"	806.243918	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+Na"	22.989218
"1607437"	284.074118	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Na"	22.989218
"319658"	273.083147	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+H+Na"	23.996494
"709897"	403.625597	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+H+Na"	23.996494
"1469191"	142.540697	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H+Na"	23.996494
"1060253"	95.36289	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2H+Na"	25.00377
"1268124"	294.118386	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+CH3OH+H"	33.033486
"385974"	561.132958	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+K"	38.963158
"749151"	822.217858	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+K"	38.963158
"1551202"	300.048058	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+K"	38.963158
"305097"	281.070117	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+H+K"	39.970434
"699706"	411.612567	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+H+K"	39.970434
"1455718"	150.527667	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H+K"	39.970434
"243224"	564.203626	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+ACN+H"	42.033826
"1219215"	303.118726	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+ACN+H"	42.033826
"1198722"	152.063001	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+ACN+2H"	43.041102
"195966"	567.14096	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+2Na-H"	44.97116
"635527"	828.22586	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+2Na-H"	44.97116
"1137938"	306.05606	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2Na-H"	44.97116
"181591"	284.074118	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+2Na"	45.978436
"618961"	414.616568	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+2Na"	45.978436
"1122114"	153.531668	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2Na"	45.978436
"1401262"	102.690204	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H+2Na"	46.985712
"1431556"	308.097646	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H+HCOOH"	47.012746
"224168"	289.10714	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+3H2O+2H"	56.04448
"1513326"	322.14969	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+IsoProp+H"	61.06479
"411919"	292.061088	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+Na+K"	61.952376
"774006"	422.603538	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+Na+K"	61.952376
"1667174"	161.518638	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Na+K"	61.952376
"253207"	586.185568	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+ACN+Na"	64.015768
"1227009"	325.100668	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+ACN+Na"	64.015768
"1714795"	325.124193	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+NH4+HCOOH"	64.039293
"1179545"	110.017518	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+3Na"	68.967654
"1662090"	330.079588	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Na+HCOOH"	68.994688
"163117"	599.08884	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+2K-H"	76.91904
"606327"	860.17374	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+2K-H"	76.91904
"1091201"	338.00394	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2K-H"	76.91904
"153123"	300.048058	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"2M+2K"	77.926316
"591955"	430.590508	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"3M+2K"	77.926316
"1076469"	169.505608	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2K"	77.926316
"1109679"	340.018492	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2K+H"	78.933592
"1344971"	340.106107	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+DMSO+H"	79.021207
"1016781"	344.145276	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2ACN+H"	83.060376
"1533813"	345.138908	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+IsoProp+Na+H"	84.054008
"1000259"	172.576276	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+2ACN+2H"	84.067652
"1599135"	346.053528	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+K+HCOOH"	84.968628
"1421511"	376.085038	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+H+CF3COOH"	115.000138
"1158361"	193.089551	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+3ACN+2H"	125.094202
"1700257"	393.111585	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+NH4+CF3COOH"	132.026685
"1640284"	398.06698	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+Na+CF3COOH"	136.98208
"1581402"	414.04092	"C11104"	"Hymexazol N-glucoside;HNG"	"C10H15NO7"	"261.0849"	"M+K+CF3COOH"	152.95602
"808489"	178.9888	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M"	0
"978742"	159.97041	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-H2O-H"	-19.01839
"63336"	118.318590666667	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M-3H"	-3.021828
"513115"	177.981524	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M-3H"	-3.021828
"893103"	58.6556573333333	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-3H"	-3.021828
"12409"	177.981524	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M-2H"	-2.014552
"450143"	267.475924	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M-2H"	-2.014552
"825759"	88.487124	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-2H"	-2.014552
"85753"	356.970324	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M-H"	-1.007276
"527498"	535.959124	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M-H"	-1.007276
"902018"	177.981524	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-H"	-1.007276
"52017"	373.996871	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M-2H+NH4"	16.019271
"495953"	552.985671	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M-2H+NH4"	16.019271
"873761"	195.008071	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-2H+NH4"	16.019271
"43852"	378.952266	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M-2H+Na"	20.974666
"480130"	557.941066	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M-2H+Na"	20.974666
"861207"	199.963466	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-2H+Na"	20.974666
"1627462"	199.963466	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Na-2H"	20.974666
"100711"	195.969863	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M-H+Cl"	33.962126
"540270"	285.464263	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M-H+Cl"	33.962126
"933788"	106.475463	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-H+Cl"	33.962126
"271616"	392.947002	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+Cl"	34.969402
"664768"	571.935802	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+Cl"	34.969402
"1279359"	213.958202	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Cl"	34.969402
"21549"	394.926206	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M-2H+K"	36.948606
"456612"	573.915006	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M-2H+K"	36.948606
"839278"	215.937406	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-2H+K"	36.948606
"1559846"	215.937406	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+K-2H"	36.948606
"942901"	223.986994	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-H+HCOOH"	44.998194
"363398"	402.975801	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+HCOOH-H"	44.998201
"346433"	416.991451	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+Hac-H"	59.013851
"1492736"	238.002651	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Hac-H"	59.013851
"958785"	245.968951	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-H+NaCOOH"	66.980151
"112555"	213.958202	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+2Cl"	69.938804
"550169"	303.452602	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+2Cl"	69.938804
"1024199"	124.463802	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2Cl"	69.938804
"1241912"	257.907685	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Br"	78.918885
"1305739"	259.963672	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Cl+HCOOH"	80.974872
"1321047"	281.945629	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Cl+NaCOOH"	102.956829
"922445"	291.974386	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M-H+CF3COOH"	112.985586
"1293691"	327.951064	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Cl+CF3COOH"	148.962264
"1372946"	143.976124	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H-2H2O"	-35.012676
"1395909"	161.9861	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H-H2O"	-17.0027
"291220"	358.984876	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+H"	1.007276
"682551"	537.973676	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+H"	1.007276
"1354527"	179.996076	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H"	1.007276
"129606"	179.996076	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+2H"	2.014552
"569166"	269.490476	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+2H"	2.014552
"1044527"	90.501676	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2H"	2.014552
"211334"	120.333142666667	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+3H"	3.021828
"654174"	179.996076	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+3H"	3.021828
"1173392"	60.6702093333333	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+3H"	3.021828
"433384"	376.011423	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+NH4"	18.033823
"793287"	555.000223	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+NH4"	18.033823
"1687429"	197.022623	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+NH4"	18.033823
"334614"	188.5093495	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+H+NH4"	19.041099
"728129"	278.0037495	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+H+NH4"	19.041099
"1483043"	99.0149495	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H+NH4"	19.041099
"398452"	380.966818	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+Na"	22.989218
"759446"	559.955618	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+Na"	22.989218
"1607548"	201.978018	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Na"	22.989218
"316854"	190.987047	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+H+Na"	23.996494
"708913"	280.481447	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+H+Na"	23.996494
"1471488"	101.492647	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H+Na"	23.996494
"1062549"	67.9975233333333	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2H+Na"	25.00377
"1266778"	212.022286	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+CH3OH+H"	33.033486
"387539"	396.940758	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+K"	38.963158
"749990"	575.929558	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+K"	38.963158
"1549126"	217.951958	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+K"	38.963158
"310673"	198.974017	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+H+K"	39.970434
"704555"	288.468417	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+H+K"	39.970434
"1455458"	109.479617	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H+K"	39.970434
"243330"	400.011426	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+ACN+H"	42.033826
"1219322"	221.022626	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+ACN+H"	42.033826
"1199926"	111.014951	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+ACN+2H"	43.041102
"194983"	402.94876	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+2Na-H"	44.97116
"634544"	581.93756	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+2Na-H"	44.97116
"1134402"	223.95996	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2Na-H"	44.97116
"180245"	201.978018	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+2Na"	45.978436
"615064"	291.472418	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+2Na"	45.978436
"1128785"	112.483618	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2Na"	45.978436
"1402467"	75.3248373333333	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H+2Na"	46.985712
"1433490"	226.001546	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H+HCOOH"	47.012746
"224278"	207.01104	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+3H2O+2H"	56.04448
"1514529"	240.05359	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+IsoProp+H"	61.06479
"413122"	209.964988	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+Na+K"	61.952376
"777396"	299.459388	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+Na+K"	61.952376
"1666801"	120.470588	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Na+K"	61.952376
"251858"	421.993368	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+ACN+Na"	64.015768
"1226266"	243.004568	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+ACN+Na"	64.015768
"1713572"	243.028093	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+NH4+HCOOH"	64.039293
"1180636"	82.6521513333333	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+3Na"	68.967654
"1660377"	247.983488	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Na+HCOOH"	68.994688
"166143"	434.89664	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+2K-H"	76.91904
"602427"	613.88544	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+2K-H"	76.91904
"1094229"	255.90784	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2K-H"	76.91904
"151411"	217.951958	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"2M+2K"	77.926316
"589877"	307.446358	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"3M+2K"	77.926316
"1074393"	128.457558	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2K"	77.926316
"1108695"	257.922392	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2K+H"	78.933592
"1343988"	258.010007	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+DMSO+H"	79.021207
"1012517"	262.049176	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2ACN+H"	83.060376
"1533922"	263.042808	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+IsoProp+Na+H"	84.054008
"998181"	131.528226	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+2ACN+2H"	84.067652
"1599245"	263.957428	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+K+HCOOH"	84.968628
"1419434"	293.988938	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+H+CF3COOH"	115.000138
"1158471"	152.041501	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+3ACN+2H"	125.094202
"1697451"	311.015485	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+NH4+CF3COOH"	132.026685
"1640394"	315.97088	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+Na+CF3COOH"	136.98208
"1581512"	331.94482	"C11105"	"5-Methyl-3-isoxazolyl sulfate"	"C4H5NO5S"	"178.9888"	"M+K+CF3COOH"	152.95602
"808599"	101.0477	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M"	0
"978852"	82.02931	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"66363"	66.3578573333333	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"515412"	100.040424	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"893212"	32.6752906666667	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"12519"	100.040424	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"450253"	150.564274	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"826963"	49.516574	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"90962"	201.088124	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"527607"	302.135824	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"901034"	100.040424	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"51034"	218.114671	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"494968"	319.162371	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"872415"	117.066971	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"40679"	223.070066	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"481334"	324.117766	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"859860"	122.022366	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1624293"	122.022366	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"100093"	118.028763	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"539288"	168.552613	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"932440"	67.504913	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"279018"	237.064802	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"669253"	338.112502	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1283844"	136.017102	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"24212"	239.044006	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"464865"	340.091706	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"835740"	137.996306	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1562874"	137.996306	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"944195"	146.045894	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"364237"	247.093601	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"346377"	261.109251	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1494761"	160.061551	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"960479"	168.027851	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"110274"	136.017102	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"550891"	186.540952	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1025768"	85.493252	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1245710"	179.966585	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1306336"	182.022572	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1322374"	204.004529	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"925836"	214.033286	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1300361"	250.009964	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1382454"	66.035024	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1396991"	84.045	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"293518"	203.102676	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"688127"	304.150376	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1355730"	102.054976	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"131903"	102.054976	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"572557"	152.578826	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1047917"	51.531126	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"215818"	68.3724093333333	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"653191"	102.054976	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1172409"	34.6898426666667	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"432401"	220.129223	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"791211"	321.176923	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1686446"	119.081523	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"336911"	110.5682495	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"728239"	161.0920995	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1488620"	60.0443995	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"398558"	225.084618	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"759557"	326.132318	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1610937"	124.036918	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"317693"	113.045947	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"713397"	163.569797	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1468321"	62.522097	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1061567"	42.0171566666667	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1265431"	134.081186	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"384007"	241.058558	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"747185"	342.106258	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1549237"	140.010858	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"308233"	121.032917	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"702114"	171.556767	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1453748"	70.509067	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"242347"	244.129226	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1218340"	143.081526	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1203317"	72.044401	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"195093"	247.06656	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"634654"	348.11426	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1134512"	146.01886	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"179262"	124.036918	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"616997"	174.560768	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1127802"	73.513068	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1402578"	49.3444706666667	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1434692"	148.060446	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"229856"	129.06994	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1516826"	162.11249	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"417603"	132.023888	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"777506"	182.547738	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1672741"	81.500038	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"255980"	266.111168	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1231966"	165.063468	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1715387"	165.086993	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1180748"	56.6717846666667	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1657207"	170.042388	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"162976"	279.01444	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"598162"	380.06214	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1088143"	177.96674	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"144960"	140.010858	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"584521"	190.534708	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1069153"	89.487008	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1100783"	179.981292	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1339722"	180.068907	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1010440"	184.108076	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1530752"	185.101708	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"995011"	92.557676	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1596076"	186.016328	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1422824"	216.047838	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1158581"	113.070951	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1697197"	233.074385	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1645971"	238.02978	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1578342"	254.00372	"C11106"	"3-Oxobutanamide;Acetoacetamide;AAA"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"808709"	275.0641	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M"	0
"981148"	256.04571	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-H2O-H"	-19.01839
"63149"	182.368790666667	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M-3H"	-3.021828
"517344"	274.056824	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M-3H"	-3.021828
"895144"	90.6807573333333	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-3H"	-3.021828
"14451"	274.056824	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M-2H"	-2.014552
"452915"	411.588874	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M-2H"	-2.014552
"829624"	136.524774	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-2H"	-2.014552
"89980"	549.120924	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M-H"	-1.007276
"527719"	824.185024	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M-H"	-1.007276
"906614"	274.056824	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-H"	-1.007276
"58438"	566.147471	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M-2H+NH4"	16.019271
"498361"	841.211571	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M-2H+NH4"	16.019271
"877261"	291.083371	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-2H+NH4"	16.019271
"45161"	571.102866	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M-2H+Na"	20.974666
"483629"	846.166966	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M-2H+Na"	20.974666
"861427"	296.038766	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-2H+Na"	20.974666
"1629868"	296.038766	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Na-2H"	20.974666
"104211"	292.045163	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M-H+Cl"	33.962126
"543772"	429.577213	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M-H+Cl"	33.962126
"937287"	154.513113	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-H+Cl"	33.962126
"279127"	585.097602	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+Cl"	34.969402
"669363"	860.161702	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+Cl"	34.969402
"1283954"	310.033502	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Cl"	34.969402
"26511"	587.076806	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M-2H+K"	36.948606
"467161"	862.140906	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M-2H+K"	36.948606
"840591"	312.012706	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-2H+K"	36.948606
"1560796"	312.012706	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+K-2H"	36.948606
"944669"	320.062294	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-H+HCOOH"	44.998194
"366898"	595.126401	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+HCOOH-H"	44.998201
"347500"	609.142051	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+Hac-H"	59.013851
"1495233"	334.077951	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Hac-H"	59.013851
"959617"	342.044251	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-H+NaCOOH"	66.980151
"112411"	310.033502	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+2Cl"	69.938804
"550879"	447.565552	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+2Cl"	69.938804
"1023689"	172.501452	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2Cl"	69.938804
"1244725"	353.982985	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Br"	78.918885
"1305349"	356.038972	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Cl+HCOOH"	80.974872
"1319972"	378.020929	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Cl+NaCOOH"	102.956829
"921572"	388.049686	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M-H+CF3COOH"	112.985586
"1303630"	424.026364	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Cl+CF3COOH"	148.962264
"1382643"	240.051424	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H-2H2O"	-35.012676
"1398141"	258.0614	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H-H2O"	-17.0027
"296907"	551.135476	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+H"	1.007276
"688236"	826.199576	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+H"	1.007276
"1360213"	276.071376	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H"	1.007276
"135293"	276.071376	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+2H"	2.014552
"575947"	413.603426	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+2H"	2.014552
"1048027"	138.539326	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2H"	2.014552
"218116"	184.383342666667	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+3H"	3.021828
"654394"	276.071376	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+3H"	3.021828
"1173612"	92.6953093333333	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+3H"	3.021828
"432511"	568.162023	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+NH4"	18.033823
"793508"	843.226123	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+NH4"	18.033823
"1690935"	293.097923	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+NH4"	18.033823
"338119"	284.5846495	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+H+NH4"	19.041099
"732725"	422.1166995	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+H+NH4"	19.041099
"1487636"	147.0525995	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H+NH4"	19.041099
"404137"	573.117418	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+Na"	22.989218
"762947"	848.181518	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+Na"	22.989218
"1613237"	298.053318	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Na"	22.989218
"323274"	287.062347	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+H+Na"	23.996494
"715696"	424.594397	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+H+Na"	23.996494
"1467337"	149.530297	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H+Na"	23.996494
"1057302"	100.022623333333	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2H+Na"	25.00377
"1265541"	308.097586	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+CH3OH+H"	33.033486
"383022"	589.091358	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+K"	38.963158
"748390"	864.155458	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+K"	38.963158
"1549346"	314.027258	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+K"	38.963158
"308708"	295.049317	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+H+K"	39.970434
"701130"	432.581367	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+H+K"	39.970434
"1453857"	157.517267	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H+K"	39.970434
"247195"	592.162026	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+ACN+H"	42.033826
"1219543"	317.097926	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+ACN+H"	42.033826
"1200146"	159.052601	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+ACN+2H"	43.041102
"195203"	595.09936	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+2Na-H"	44.97116
"641327"	870.16346	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+2Na-H"	44.97116
"1141551"	320.03526	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2Na-H"	44.97116
"178280"	298.053318	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+2Na"	45.978436
"616742"	435.585368	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+2Na"	45.978436
"1129005"	160.521268	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2Na"	45.978436
"1412529"	107.349937333333	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H+2Na"	46.985712
"1435898"	322.076846	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H+HCOOH"	47.012746
"225593"	303.08634	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+3H2O+2H"	56.04448
"1516936"	336.12889	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+IsoProp+H"	61.06479
"413343"	306.040288	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+Na+K"	61.952376
"780896"	443.572338	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+Na+K"	61.952376
"1673945"	168.508238	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Na+K"	61.952376
"254998"	614.143968	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+ACN+Na"	64.015768
"1228435"	339.079868	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+ACN+Na"	64.015768
"1718048"	339.103393	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+NH4+HCOOH"	64.039293
"1180490"	114.677251333333	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+3Na"	68.967654
"1651854"	344.058788	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Na+HCOOH"	68.994688
"160902"	627.04724	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+2K-H"	76.91904
"602649"	902.11134	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+2K-H"	76.91904
"1091534"	351.98314	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2K-H"	76.91904
"148717"	314.027258	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"2M+2K"	77.926316
"588277"	451.559308	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"3M+2K"	77.926316
"1072426"	176.495208	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2K"	77.926316
"1107822"	353.997692	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2K+H"	78.933592
"1343112"	354.085307	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+DMSO+H"	79.021207
"1014924"	358.124476	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2ACN+H"	83.060376
"1531955"	359.118108	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+IsoProp+Na+H"	84.054008
"996214"	179.565876	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+2ACN+2H"	84.067652
"1599464"	360.032728	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+K+HCOOH"	84.968628
"1420748"	390.064238	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+H+CF3COOH"	115.000138
"1152128"	200.079151	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+3ACN+2H"	125.094202
"1700587"	407.090785	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+NH4+CF3COOH"	132.026685
"1637333"	412.04618	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+Na+CF3COOH"	136.98208
"1578452"	428.02012	"C11107"	"3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole"	"C10H13NO8"	"275.0641"	"M+K+CF3COOH"	152.95602
"808819"	119.0582	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M"	0
"979072"	100.03981	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"63422"	78.3648573333333	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"517453"	118.050924	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"893431"	38.6787906666667	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"12007"	118.050924	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"452658"	177.580024	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"830461"	58.521824	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"91183"	237.109124	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"528920"	356.167324	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"905630"	118.050924	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"57815"	254.135671	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"496284"	373.193871	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"878465"	135.077471	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"46000"	259.091066	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"483738"	378.149266	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"861537"	140.032866	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1629978"	140.032866	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"103226"	136.039263	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"542787"	195.568363	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"937398"	76.510163	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"282274"	273.085802	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"671659"	392.144002	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1286249"	154.027602	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"26621"	275.065006	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"461805"	394.123206	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"843982"	156.006806	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1557993"	156.006806	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"944052"	164.056394	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"371383"	283.114601	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"346885"	297.130251	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1494616"	178.072051	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"959968"	186.038351	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"112158"	154.027602	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"550257"	213.556702	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1021604"	94.498502	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1243379"	197.977085	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1306555"	200.033072	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1320155"	222.015029	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"919495"	232.043786	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1302647"	268.020464	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1379835"	84.045524	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1395145"	102.0555	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"293737"	239.123676	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"688347"	358.181876	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1359231"	120.065476	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"134310"	120.065476	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"576057"	179.594576	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1048137"	60.536376	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"213850"	80.3794093333333	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"652316"	120.065476	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1173722"	40.6933426666667	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"432621"	256.150223	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"794712"	375.208423	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1692135"	137.092023	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"340052"	128.5787495	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"730648"	188.1078495	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1486653"	69.0496495	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"403146"	261.105618	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"761960"	380.163818	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1617358"	142.047418	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"325571"	131.056447	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"716900"	190.585547	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1471825"	71.527347	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1065067"	48.0206566666667	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1267839"	152.091686	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"386412"	277.079558	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"749592"	396.137758	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1549458"	158.021358	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"309915"	139.043417	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"702336"	198.572517	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1455062"	79.514317	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"245851"	280.150226	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1218560"	161.092026	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1202444"	81.049651	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"198595"	283.08756	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"639250"	402.14576	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1141661"	164.02936	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"176930"	142.047418	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"617581"	201.576518	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1130331"	82.518318	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1410452"	55.3479706666667	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1441475"	166.070946	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"226798"	147.08044	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1517046"	180.12299	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"415639"	150.034388	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"777726"	209.563488	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1672962"	90.505288	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"254743"	302.132168	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1226723"	183.073968	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1714879"	183.097493	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1180236"	62.6752846666667	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1656337"	188.052888	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"164291"	315.03544	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"604945"	434.09364	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1094923"	195.97724	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"149554"	158.021358	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"586927"	217.550458	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1077638"	98.492258	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1107931"	197.991792	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1343222"	198.079407	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1016125"	202.118576	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1534249"	203.112208	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"996324"	101.562926	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1597387"	204.026828	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1421951"	234.058338	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1152238"	122.076201	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1699604"	251.084885	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1637443"	256.04028	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1578562"	272.01422	"C11108"	"(-)-erythro-(2R3R)-Dihydroxybutylamide;DBA"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"808929"	103.0633	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M"	0
"979182"	84.04491	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"63207"	67.7015906666667	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"517564"	102.056024	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"892447"	33.3471573333333	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"9930"	102.056024	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"451675"	153.587674	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"827290"	50.524374	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"90563"	205.119324	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"529029"	308.182624	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"907561"	102.056024	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"55737"	222.145871	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"489830"	325.209171	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"878941"	119.082571	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"45140"	227.101266	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"484578"	330.164566	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"861647"	124.037966	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1625714"	124.037966	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"101148"	120.044363	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"535242"	171.576013	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"937508"	68.512713	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"280439"	241.096002	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"669581"	344.159302	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1285265"	138.032702	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"27824"	243.075206	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"461915"	346.138506	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"844092"	140.011906	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1561019"	140.011906	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"944162"	148.061494	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"372586"	251.124801	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"348089"	265.140451	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1493632"	162.077151	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"959594"	170.043451	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"111904"	138.032702	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"550735"	189.564352	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1021430"	86.501052	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1246406"	181.982185	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1309947"	184.038172	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1321246"	206.020129	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"918512"	216.048886	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1299600"	252.025564	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1376666"	68.050624	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1391975"	86.0606	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"287287"	207.133876	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"685177"	310.197176	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1360434"	104.070576	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"135512"	104.070576	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"573978"	155.602226	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1049340"	52.538926	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"211771"	69.7161426666667	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"651333"	104.070576	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1173832"	35.3617093333333	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"436010"	224.160423	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"794818"	327.223723	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1693338"	121.097123	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"343812"	112.5838495	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"729668"	164.1154995	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1483487"	61.0521995	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"399977"	229.115818	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"758792"	332.179118	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1613455"	126.052518	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"327140"	115.061547	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"719562"	166.593197	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1475578"	63.529897	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1068216"	42.6890233333333	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1270138"	136.096786	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"390898"	245.089758	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"749705"	348.153058	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1553944"	142.026458	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"310026"	123.048517	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"704634"	174.580167	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1458457"	71.516867	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"247057"	248.160426	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1221956"	145.097126	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1208757"	73.052201	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"202717"	251.09776	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"642519"	354.16106	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1146273"	148.03446	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"185062"	126.052518	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"619154"	177.584168	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1128132"	74.520868	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1406190"	50.0163373333333	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1441585"	150.076046	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"223628"	131.08554	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1516067"	164.12809	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"419032"	134.039488	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"773463"	185.571138	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1670887"	82.507838	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"254489"	270.142368	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1229023"	167.079068	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1715357"	167.102593	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1186547"	57.3436513333333	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1656447"	172.057988	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"169874"	283.04564	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"607243"	386.10894	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1092847"	179.98234	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"151487"	142.026458	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"592873"	193.558108	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1080300"	90.494808	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1112417"	181.996892	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1346613"	182.084507	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1017329"	186.123676	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1533266"	187.117308	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"997528"	93.565476	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1598591"	188.031928	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1423154"	218.063438	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1152348"	114.078751	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1699714"	235.089985	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1637553"	240.04538	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1578672"	256.01932	"C11109"	"HBA"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"809039"	255.0523	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M"	0
"977105"	236.03391	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-H2O-H"	-19.01839
"65343"	169.027590666667	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M-3H"	-3.021828
"504905"	254.045024	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M-3H"	-3.021828
"890369"	84.0101573333333	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-3H"	-3.021828
"5662"	254.045024	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M-2H"	-2.014552
"448503"	381.571174	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M-2H"	-2.014552
"818649"	126.518874	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-2H"	-2.014552
"84111"	509.097324	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M-H"	-1.007276
"524034"	764.149624	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M-H"	-1.007276
"900380"	254.045024	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-H"	-1.007276
"52567"	526.123871	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M-2H+NH4"	16.019271
"487108"	781.176171	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M-2H+NH4"	16.019271
"876861"	271.071571	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-2H+NH4"	16.019271
"45250"	531.079266	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M-2H+Na"	20.974666
"486269"	786.131566	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M-2H+Na"	20.974666
"860664"	276.026966	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-2H+Na"	20.974666
"1624731"	276.026966	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Na-2H"	20.974666
"97979"	272.033363	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M-H+Cl"	33.962126
"541913"	399.559513	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M-H+Cl"	33.962126
"937617"	144.507213	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-H+Cl"	33.962126
"281158"	545.074002	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+Cl"	34.969402
"669691"	800.126302	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+Cl"	34.969402
"1286957"	290.021702	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Cl"	34.969402
"30001"	547.053206	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M-2H+K"	36.948606
"462025"	802.105506	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M-2H+K"	36.948606
"842015"	292.000906	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-2H+K"	36.948606
"1560035"	292.000906	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+K-2H"	36.948606
"946826"	300.050494	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-H+HCOOH"	44.998194
"366136"	555.102801	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+HCOOH-H"	44.998201
"348199"	569.118451	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+Hac-H"	59.013851
"1493741"	314.066151	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Hac-H"	59.013851
"959462"	322.032451	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-H+NaCOOH"	66.980151
"110553"	290.021702	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+2Cl"	69.938804
"551573"	417.547852	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+2Cl"	69.938804
"1021829"	162.495552	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2Cl"	69.938804
"1245420"	333.971185	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Br"	78.918885
"1307868"	336.027172	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Cl+HCOOH"	80.974872
"1320989"	358.009129	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Cl+NaCOOH"	102.956829
"911806"	368.037886	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M-H+CF3COOH"	112.985586
"1294241"	404.014564	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Cl+CF3COOH"	148.962264
"1373496"	220.039624	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H-2H2O"	-35.012676
"1389898"	238.0496	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H-H2O"	-17.0027
"287397"	511.111876	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+H"	1.007276
"685287"	766.164176	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+H"	1.007276
"1362731"	256.059576	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H"	1.007276
"134529"	256.059576	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+2H"	2.014552
"571902"	383.585726	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+2H"	2.014552
"1048357"	128.533426	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2H"	2.014552
"210788"	171.042142666667	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+3H"	3.021828
"651443"	256.059576	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+3H"	3.021828
"1173942"	86.0247093333333	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+3H"	3.021828
"435027"	528.138423	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+NH4"	18.033823
"797115"	783.190723	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+NH4"	18.033823
"1693448"	273.086123	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+NH4"	18.033823
"339537"	264.5728495	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+H+NH4"	19.041099
"729778"	392.0989995	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+H+NH4"	19.041099
"1483597"	137.0466995	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H+NH4"	19.041099
"400451"	533.093818	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+Na"	22.989218
"761085"	788.146118	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+Na"	22.989218
"1611379"	278.041518	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Na"	22.989218
"326521"	267.050547	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+H+Na"	23.996494
"719308"	394.576697	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+H+Na"	23.996494
"1475934"	139.524397	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H+Na"	23.996494
"1067962"	93.3520233333333	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2H+Na"	25.00377
"1271341"	288.085786	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+CH3OH+H"	33.033486
"391008"	549.067758	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+K"	38.963158
"750909"	804.120058	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+K"	38.963158
"1551869"	294.015458	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+K"	38.963158
"312325"	275.037517	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+H+K"	39.970434
"705474"	402.563667	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+H+K"	39.970434
"1458203"	147.511367	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H+K"	39.970434
"247167"	552.138426	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+ACN+H"	42.033826
"1219880"	297.086126	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+ACN+H"	42.033826
"1208502"	149.046701	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+ACN+2H"	43.041102
"202827"	555.07576	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+2Na-H"	44.97116
"641536"	810.12806	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+2Na-H"	44.97116
"1144803"	300.02346	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2Na-H"	44.97116
"184079"	278.041518	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+2Na"	45.978436
"618171"	405.567668	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+2Na"	45.978436
"1126055"	150.515368	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2Na"	45.978436
"1403748"	100.679337333333	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H+2Na"	46.985712
"1434769"	302.065046	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H+HCOOH"	47.012746
"226654"	283.07454	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+3H2O+2H"	56.04448
"1513987"	316.11709	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+IsoProp+H"	61.06479
"415860"	286.028488	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+Na+K"	61.952376
"773573"	413.554638	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+Na+K"	61.952376
"1667716"	158.502338	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Na+K"	61.952376
"254600"	574.120368	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+ACN+Na"	64.015768
"1229133"	319.068068	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+ACN+Na"	64.015768
"1713645"	319.091593	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+NH4+HCOOH"	64.039293
"1185564"	108.006651333333	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+3Na"	68.967654
"1656557"	324.046988	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Na+HCOOH"	68.994688
"169620"	587.02364	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+2K-H"	76.91904
"606260"	842.07594	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+2K-H"	76.91904
"1090771"	331.97134	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2K-H"	76.91904
"150504"	294.015458	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"2M+2K"	77.926316
"591525"	421.541608	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"3M+2K"	77.926316
"1080410"	166.489308	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2K"	77.926316
"1111433"	333.985892	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2K+H"	78.933592
"1344536"	334.073507	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+DMSO+H"	79.021207
"1019991"	338.112676	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2ACN+H"	83.060376
"1534469"	339.106308	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+IsoProp+Na+H"	84.054008
"996542"	169.559976	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+2ACN+2H"	84.067652
"1598701"	340.020928	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+K+HCOOH"	84.968628
"1421078"	370.052438	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+H+CF3COOH"	115.000138
"1153551"	190.073251	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+3ACN+2H"	125.094202
"1697636"	387.078985	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+NH4+CF3COOH"	132.026685
"1637663"	392.03438	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+Na+CF3COOH"	136.98208
"1578782"	408.00832	"C11110"	"Imidacloprid"	"C9H10ClN5O2"	"255.0523"	"M+K+CF3COOH"	152.95602
"801641"	290.0646	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M"	0
"977215"	271.04621	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-H2O-H"	-19.01839
"63099"	192.369124	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M-3H"	-3.021828
"504043"	289.057324	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M-3H"	-3.021828
"887197"	95.680924	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-3H"	-3.021828
"4676"	289.057324	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M-2H"	-2.014552
"445330"	434.089624	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M-2H"	-2.014552
"818267"	144.025024	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-2H"	-2.014552
"79717"	579.121924	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M-H"	-1.007276
"518909"	869.186524	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M-H"	-1.007276
"896345"	289.057324	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-H"	-1.007276
"47562"	596.148471	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M-2H+NH4"	16.019271
"487849"	886.213071	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M-2H+NH4"	16.019271
"868950"	306.083871	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-2H+NH4"	16.019271
"37945"	601.103866	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M-2H+Na"	20.974666
"472154"	891.168466	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M-2H+Na"	20.974666
"849836"	311.039266	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-2H+Na"	20.974666
"1620467"	311.039266	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Na-2H"	20.974666
"94555"	307.045663	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M-H+Cl"	33.962126
"535214"	452.077963	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M-H+Cl"	33.962126
"935538"	162.013363	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-H+Cl"	33.962126
"275191"	615.098602	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+Cl"	34.969402
"673080"	905.163202	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+Cl"	34.969402
"1287433"	325.034002	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Cl"	34.969402
"30965"	617.077806	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M-2H+K"	36.948606
"463228"	907.142406	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M-2H+K"	36.948606
"842124"	327.013206	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-2H+K"	36.948606
"1563425"	327.013206	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+K-2H"	36.948606
"956414"	335.062794	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-H+HCOOH"	44.998194
"368434"	625.127401	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+HCOOH-H"	44.998201
"346599"	639.143051	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+Hac-H"	59.013851
"1496404"	349.078451	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Hac-H"	59.013851
"962852"	357.044751	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-H+NaCOOH"	66.980151
"111149"	325.034002	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+2Cl"	69.938804
"552414"	470.066302	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+2Cl"	69.938804
"1025220"	180.001702	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2Cl"	69.938804
"1246624"	368.983485	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Br"	78.918885
"1308707"	371.039472	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Cl+HCOOH"	80.974872
"1326205"	393.021429	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Cl+NaCOOH"	102.956829
"911796"	403.050186	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M-H+CF3COOH"	112.985586
"1291071"	439.026864	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Cl+CF3COOH"	148.962264
"1373605"	255.051924	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H-2H2O"	-35.012676
"1390007"	273.0619	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H-H2O"	-17.0027
"286412"	581.136476	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+H"	1.007276
"678834"	871.201076	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+H"	1.007276
"1363934"	291.071876	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H"	1.007276
"141081"	291.071876	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+2H"	2.014552
"577477"	436.104176	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+2H"	2.014552
"1049560"	146.039576	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2H"	2.014552
"217458"	194.383676	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+3H"	3.021828
"653738"	291.071876	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+3H"	3.021828
"1177210"	97.695476	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+3H"	3.021828
"438417"	598.163023	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+NH4"	18.033823
"799411"	888.227623	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+NH4"	18.033823
"1692463"	308.098423	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+NH4"	18.033823
"336367"	299.5851495	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+H+NH4"	19.041099
"726601"	444.6174495	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+H+NH4"	19.041099
"1483702"	154.5528495	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H+NH4"	19.041099
"405663"	603.118418	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+Na"	22.989218
"761193"	893.183018	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+Na"	22.989218
"1605282"	313.053818	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Na"	22.989218
"324806"	302.062847	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+H+Na"	23.996494
"718320"	447.095147	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+H+Na"	23.996494
"1474708"	157.030547	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H+Na"	23.996494
"1065037"	105.02279	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2H+Na"	25.00377
"1268538"	323.098086	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+CH3OH+H"	33.033486
"388568"	619.092358	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+K"	38.963158
"751021"	909.156958	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+K"	38.963158
"1550883"	329.027758	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+K"	38.963158
"309521"	310.049817	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+H+K"	39.970434
"703397"	455.082117	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+H+K"	39.970434
"1454302"	165.017517	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H+K"	39.970434
"247277"	622.163026	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+ACN+H"	42.033826
"1219987"	332.098426	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+ACN+H"	42.033826
"1204964"	166.552851	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+ACN+2H"	43.041102
"202331"	625.10036	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+2Na-H"	44.97116
"640675"	915.16496	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+2Na-H"	44.97116
"1139805"	335.03576	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2Na-H"	44.97116
"179815"	313.053818	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+2Na"	45.978436
"621561"	458.086118	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+2Na"	45.978436
"1126163"	168.021518	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2Na"	45.978436
"1406408"	112.350104	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H+2Na"	46.985712
"1438524"	337.077346	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H+HCOOH"	47.012746
"223481"	318.08684	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+3H2O+2H"	56.04448
"1513001"	351.12939	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+IsoProp+H"	61.06479
"412687"	321.040788	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+Na+K"	61.952376
"772953"	466.073088	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+Na+K"	61.952376
"1669649"	176.008488	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Na+K"	61.952376
"253979"	644.144968	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+ACN+Na"	64.015768
"1226690"	354.080368	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+ACN+Na"	64.015768
"1713430"	354.103893	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+NH4+HCOOH"	64.039293
"1184579"	119.677418	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+3Na"	68.967654
"1658853"	359.059288	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Na+HCOOH"	68.994688
"170823"	657.04824	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+2K-H"	76.91904
"607463"	947.11284	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+2K-H"	76.91904
"1097807"	366.98364	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2K-H"	76.91904
"153167"	329.027758	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"2M+2K"	77.926316
"593822"	474.060058	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"3M+2K"	77.926316
"1081250"	183.995458	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2K"	77.926316
"1114584"	368.998192	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2K+H"	78.933592
"1349143"	369.085807	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+DMSO+H"	79.021207
"1020832"	373.124976	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2ACN+H"	83.060376
"1534578"	374.118608	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+IsoProp+Na+H"	84.054008
"996652"	187.066126	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+2ACN+2H"	84.067652
"1598811"	375.033228	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+K+HCOOH"	84.968628
"1422281"	405.064738	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+H+CF3COOH"	115.000138
"1151474"	207.579401	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+3ACN+2H"	125.094202
"1698110"	422.091285	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+NH4+CF3COOH"	132.026685
"1637773"	427.04668	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+Na+CF3COOH"	136.98208
"1578892"	443.02062	"C11111"	"Isoprothiolane"	"C12H18O4S2"	"290.0646"	"M+K+CF3COOH"	152.95602
"802697"	306.0596	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M"	0
"977325"	287.04121	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-H2O-H"	-19.01839
"63376"	203.032457333333	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M-3H"	-3.021828
"503301"	305.052324	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M-3H"	-3.021828
"881840"	101.012590666667	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-3H"	-3.021828
"4788"	305.052324	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M-2H"	-2.014552
"443254"	458.082124	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M-2H"	-2.014552
"818378"	152.022524	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-2H"	-2.014552
"79216"	611.111924	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M-H"	-1.007276
"519748"	917.171524	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M-H"	-1.007276
"897184"	305.052324	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-H"	-1.007276
"48887"	628.138471	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M-2H+NH4"	16.019271
"487963"	934.198071	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M-2H+NH4"	16.019271
"865653"	322.078871	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-2H+NH4"	16.019271
"31972"	633.093866	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M-2H+Na"	20.974666
"472264"	939.153466	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M-2H+Na"	20.974666
"848668"	327.034266	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-2H+Na"	20.974666
"1619602"	327.034266	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Na-2H"	20.974666
"95024"	323.040663	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M-H+Cl"	33.962126
"534837"	476.070463	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M-H+Cl"	33.962126
"928232"	170.010863	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-H+Cl"	33.962126
"278581"	647.088602	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+Cl"	34.969402
"669910"	953.148202	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+Cl"	34.969402
"1287906"	341.029002	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Cl"	34.969402
"31031"	649.067806	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M-2H+K"	36.948606
"463338"	955.127406	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M-2H+K"	36.948606
"842234"	343.008206	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-2H+K"	36.948606
"1562442"	343.008206	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+K-2H"	36.948606
"956888"	351.057794	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-H+HCOOH"	44.998194
"369637"	657.117401	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+HCOOH-H"	44.998201
"347318"	671.133051	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+Hac-H"	59.013851
"1497972"	365.073451	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Hac-H"	59.013851
"961141"	373.039751	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-H+NaCOOH"	66.980151
"112597"	341.029002	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+2Cl"	69.938804
"553985"	494.058802	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+2Cl"	69.938804
"1023509"	187.999202	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2Cl"	69.938804
"1250745"	384.978485	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Br"	78.918885
"1306629"	387.034472	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Cl+HCOOH"	80.974872
"1322304"	409.016429	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Cl+NaCOOH"	102.956829
"914457"	419.045186	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M-H+CF3COOH"	112.985586
"1297738"	455.021864	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Cl+CF3COOH"	148.962264
"1373715"	271.046924	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H-2H2O"	-35.012676
"1390117"	289.0569	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H-H2O"	-17.0027
"284336"	613.126476	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+H"	1.007276
"675756"	919.186076	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+H"	1.007276
"1364044"	307.066876	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H"	1.007276
"135842"	307.066876	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+2H"	2.014552
"577587"	460.096676	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+2H"	2.014552
"1049668"	154.037076	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2H"	2.014552
"214288"	205.047009333333	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+3H"	3.021828
"653848"	307.066876	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+3H"	3.021828
"1177077"	103.027142666667	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+3H"	3.021828
"435246"	630.153023	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+NH4"	18.033823
"796241"	936.212623	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+NH4"	18.033823
"1691480"	324.093423	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+NH4"	18.033823
"334291"	315.5801495	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+H+NH4"	19.041099
"727805"	468.6099495	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+H+NH4"	19.041099
"1485999"	162.5503495	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H+NH4"	19.041099
"403589"	635.108418	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+Na"	22.989218
"759116"	941.168018	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+Na"	22.989218
"1608307"	329.048818	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Na"	22.989218
"321635"	318.057847	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+H+Na"	23.996494
"715150"	471.087647	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+H+Na"	23.996494
"1474817"	165.028047	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H+Na"	23.996494
"1064418"	110.354456666667	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2H+Na"	25.00377
"1267191"	339.093086	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+CH3OH+H"	33.033486
"388317"	651.082358	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+K"	38.963158
"746761"	957.141958	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+K"	38.963158
"1553548"	345.022758	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+K"	38.963158
"308540"	326.044817	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+H+K"	39.970434
"703871"	479.074617	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+H+K"	39.970434
"1457692"	173.015017	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H+K"	39.970434
"247387"	654.153026	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+ACN+H"	42.033826
"1221193"	348.093426	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+ACN+H"	42.033826
"1206167"	174.550351	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+ACN+2H"	43.041102
"202078"	657.09036	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+2Na-H"	44.97116
"641877"	963.14996	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+2Na-H"	44.97116
"1141008"	351.03076	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2Na-H"	44.97116
"175910"	329.048818	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+2Na"	45.978436
"621671"	482.078618	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+2Na"	45.978436
"1126273"	176.019018	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2Na"	45.978436
"1402508"	117.681770666667	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H+2Na"	46.985712
"1436811"	353.072346	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H+HCOOH"	47.012746
"222498"	334.08184	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+3H2O+2H"	56.04448
"1512018"	367.12439	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+IsoProp+H"	61.06479
"412797"	337.035788	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+Na+K"	61.952376
"772699"	490.065588	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+Na+K"	61.952376
"1671945"	184.005988	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Na+K"	61.952376
"256641"	676.134968	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+ACN+Na"	64.015768
"1226437"	370.075368	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+ACN+Na"	64.015768
"1713136"	370.098893	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+NH4+HCOOH"	64.039293
"1184325"	125.009084666667	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+3Na"	68.967654
"1656777"	375.054288	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Na+HCOOH"	68.994688
"170932"	689.03824	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+2K-H"	76.91904
"610855"	995.09784	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+2K-H"	76.91904
"1096460"	382.97864	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2K-H"	76.91904
"153277"	345.022758	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"2M+2K"	77.926316
"593932"	498.052558	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"3M+2K"	77.926316
"1082089"	191.992958	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2K"	77.926316
"1113720"	384.993192	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2K+H"	78.933592
"1349861"	385.080807	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+DMSO+H"	79.021207
"1019848"	389.119976	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2ACN+H"	83.060376
"1533594"	390.113608	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+IsoProp+Na+H"	84.054008
"998948"	195.063626	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+2ACN+2H"	84.067652
"1596733"	391.028228	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+K+HCOOH"	84.968628
"1422391"	421.059738	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+H+CF3COOH"	115.000138
"1150491"	215.576901	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+3ACN+2H"	125.094202
"1697856"	438.086285	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+NH4+CF3COOH"	132.026685
"1637883"	443.04168	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+Na+CF3COOH"	136.98208
"1579002"	459.01562	"C11112"	"Isoprothiolane sulfoxide;Propanedioic acid 13-dithiolan-2-ylidene- bis(1-methylethyl) ester 5-oxide"	"C12H18O5S2"	"306.0596"	"M+K+CF3COOH"	152.95602
"801829"	260.1347	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M"	0
"977435"	241.11631	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-H2O-H"	-19.01839
"64580"	172.415857333333	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M-3H"	-3.021828
"504383"	259.127424	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M-3H"	-3.021828
"886324"	85.7042906666667	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-3H"	-3.021828
"3805"	259.127424	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M-2H"	-2.014552
"440931"	389.194774	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M-2H"	-2.014552
"818611"	129.060074	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-2H"	-2.014552
"79817"	519.262124	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M-H"	-1.007276
"520711"	779.396824	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M-H"	-1.007276
"896688"	259.127424	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-H"	-1.007276
"48148"	536.288671	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M-2H+NH4"	16.019271
"487707"	796.423371	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M-2H+NH4"	16.019271
"865763"	276.153971	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-2H+NH4"	16.019271
"32937"	541.244066	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M-2H+Na"	20.974666
"473472"	801.378766	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M-2H+Na"	20.974666
"849690"	281.109366	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-2H+Na"	20.974666
"1620808"	281.109366	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Na-2H"	20.974666
"94852"	277.115763	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M-H+Cl"	33.962126
"535190"	407.183113	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M-H+Cl"	33.962126
"928463"	147.048413	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-H+Cl"	33.962126
"278691"	555.238802	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+Cl"	34.969402
"675601"	815.373502	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+Cl"	34.969402
"1288015"	295.104102	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Cl"	34.969402
"30088"	557.218006	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M-2H+K"	36.948606
"470008"	817.352706	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M-2H+K"	36.948606
"844536"	297.083306	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-2H+K"	36.948606
"1569113"	297.083306	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+K-2H"	36.948606
"955905"	305.132894	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-H+HCOOH"	44.998194
"373027"	565.267601	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+HCOOH-H"	44.998201
"346824"	579.283251	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+Hac-H"	59.013851
"1494802"	319.148551	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Hac-H"	59.013851
"961618"	327.114851	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-H+NaCOOH"	66.980151
"111737"	295.104102	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+2Cl"	69.938804
"556282"	425.171452	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+2Cl"	69.938804
"1023985"	165.036752	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2Cl"	69.938804
"1254136"	339.053585	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Br"	78.918885
"1307106"	341.109572	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Cl+HCOOH"	80.974872
"1323143"	363.091529	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Cl+NaCOOH"	102.956829
"916755"	373.120286	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M-H+CF3COOH"	112.985586
"1294567"	409.096964	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Cl+CF3COOH"	148.962264
"1373825"	225.122024	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H-2H2O"	-35.012676
"1390227"	243.132	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H-H2O"	-17.0027
"284446"	521.276676	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+H"	1.007276
"677960"	781.411376	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+H"	1.007276
"1364154"	261.141976	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H"	1.007276
"139964"	261.141976	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+2H"	2.014552
"577697"	391.209326	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+2H"	2.014552
"1049778"	131.074626	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2H"	2.014552
"214398"	174.430409333333	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+3H"	3.021828
"651771"	261.141976	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+3H"	3.021828
"1176459"	87.7188426666667	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+3H"	3.021828
"435356"	538.303223	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+NH4"	18.033823
"799634"	798.437923	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+NH4"	18.033823
"1691590"	278.168523	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+NH4"	18.033823
"337681"	269.6552495	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+H+NH4"	19.041099
"731196"	399.7225995	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+H+NH4"	19.041099
"1489390"	139.5878995	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H+NH4"	19.041099
"405882"	543.258618	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+Na"	22.989218
"766880"	803.393318	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+Na"	22.989218
"1613884"	283.123918	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Na"	22.989218
"326107"	272.132947	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+H+Na"	23.996494
"715260"	402.200297	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+H+Na"	23.996494
"1475289"	142.065597	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H+Na"	23.996494
"1067889"	95.0461566666667	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2H+Na"	25.00377
"1270576"	293.168186	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+CH3OH+H"	33.033486
"391338"	559.232558	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+K"	38.963158
"753427"	819.367258	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+K"	38.963158
"1551104"	299.097858	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+K"	38.963158
"311563"	280.119917	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+H+K"	39.970434
"703981"	410.187267	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+H+K"	39.970434
"1457802"	150.052567	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H+K"	39.970434
"247497"	562.303226	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+ACN+H"	42.033826
"1223124"	302.168526	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+ACN+H"	42.033826
"1207370"	151.587901	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+ACN+2H"	43.041102
"203520"	565.24056	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+2Na-H"	44.97116
"638707"	825.37526	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+2Na-H"	44.97116
"1142212"	305.10586	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2Na-H"	44.97116
"174565"	283.123918	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+2Na"	45.978436
"621781"	413.191268	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+2Na"	45.978436
"1123104"	153.056568	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2Na"	45.978436
"1403711"	102.373470666667	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H+2Na"	46.985712
"1436557"	307.147446	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H+HCOOH"	47.012746
"222610"	288.15694	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+3H2O+2H"	56.04448
"1516503"	321.19949	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+IsoProp+H"	61.06479
"415095"	291.110888	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+Na+K"	61.952376
"773903"	421.178238	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+Na+K"	61.952376
"1670962"	161.043538	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Na+K"	61.952376
"254563"	584.285168	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+ACN+Na"	64.015768
"1229463"	324.150468	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+ACN+Na"	64.015768
"1713164"	324.173993	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+NH4+HCOOH"	64.039293
"1183707"	109.700784666667	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+3Na"	68.967654
"1659074"	329.129388	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Na+HCOOH"	68.994688
"172260"	597.18844	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+2K-H"	76.91904
"606589"	857.32314	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+2K-H"	76.91904
"1095476"	337.05374	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2K-H"	76.91904
"153386"	299.097858	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"2M+2K"	77.926316
"594649"	429.165208	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"3M+2K"	77.926316
"1082686"	169.030508	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2K"	77.926316
"1115169"	339.068292	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2K+H"	78.933592
"1350580"	339.155907	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+DMSO+H"	79.021207
"1019836"	343.195076	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2ACN+H"	83.060376
"1533704"	344.188708	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+IsoProp+Na+H"	84.054008
"997965"	172.101176	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+2ACN+2H"	84.067652
"1594656"	345.103328	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+K+HCOOH"	84.968628
"1419220"	375.134838	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+H+CF3COOH"	115.000138
"1150601"	192.614451	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+3ACN+2H"	125.094202
"1698694"	392.161385	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+NH4+CF3COOH"	132.026685
"1637993"	397.11678	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+Na+CF3COOH"	136.98208
"1579112"	413.09072	"C11113"	"Methaphenilene"	"C15H20N2S"	"260.1347"	"M+K+CF3COOH"	152.95602
"802552"	261.13	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M"	0
"975356"	242.11161	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-H2O-H"	-19.01839
"65783"	173.079390666667	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M-3H"	-3.021828
"504618"	260.122724	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M-3H"	-3.021828
"883153"	86.0360573333333	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-3H"	-3.021828
"1726"	260.122724	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M-2H"	-2.014552
"440595"	390.687724	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M-2H"	-2.014552
"817300"	129.557724	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-2H"	-2.014552
"79112"	521.252724	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M-H"	-1.007276
"518792"	782.382724	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M-H"	-1.007276
"895986"	260.122724	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-H"	-1.007276
"47523"	538.279271	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M-2H+NH4"	16.019271
"487453"	799.409271	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M-2H+NH4"	16.019271
"864300"	277.149271	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-2H+NH4"	16.019271
"33898"	543.234666	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M-2H+Na"	20.974666
"473824"	804.364666	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M-2H+Na"	20.974666
"848745"	282.104666	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-2H+Na"	20.974666
"1618577"	282.104666	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Na-2H"	20.974666
"94394"	278.111063	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M-H+Cl"	33.962126
"535059"	408.676063	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M-H+Cl"	33.962126
"929671"	147.546063	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-H+Cl"	33.962126
"278801"	557.229402	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+Cl"	34.969402
"666849"	818.359402	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+Cl"	34.969402
"1282533"	296.099402	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Cl"	34.969402
"30682"	559.208606	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M-2H+K"	36.948606
"462465"	820.338606	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M-2H+K"	36.948606
"842454"	298.078606	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-2H+K"	36.948606
"1564849"	298.078606	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+K-2H"	36.948606
"957108"	306.128194	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-H+HCOOH"	44.998194
"376418"	567.258201	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+HCOOH-H"	44.998201
"347545"	581.273851	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+Hac-H"	59.013851
"1494917"	320.143851	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Hac-H"	59.013851
"965738"	328.110151	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-H+NaCOOH"	66.980151
"114646"	296.099402	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+2Cl"	69.938804
"550803"	426.664402	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+2Cl"	69.938804
"1022271"	165.534402	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2Cl"	69.938804
"1243311"	340.048885	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Br"	78.918885
"1308313"	342.104872	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Cl+HCOOH"	80.974872
"1322889"	364.086829	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Cl+NaCOOH"	102.956829
"913219"	374.115586	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M-H+CF3COOH"	112.985586
"1291761"	410.092264	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Cl+CF3COOH"	148.962264
"1373935"	226.117324	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H-2H2O"	-35.012676
"1387057"	244.1273	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H-H2O"	-17.0027
"287836"	523.267276	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+H"	1.007276
"676853"	784.397276	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+H"	1.007276
"1360984"	262.137276	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H"	1.007276
"140435"	262.137276	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+2H"	2.014552
"575619"	392.702276	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+2H"	2.014552
"1047701"	131.572276	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2H"	2.014552
"215602"	175.093942666667	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+3H"	3.021828
"651881"	262.137276	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+3H"	3.021828
"1177179"	88.0506093333333	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+3H"	3.021828
"437654"	540.293823	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+NH4"	18.033823
"797191"	801.423823	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+NH4"	18.033823
"1689514"	279.163823	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+NH4"	18.033823
"337791"	270.6505495	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+H+NH4"	19.041099
"732400"	401.2155495	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+H+NH4"	19.041099
"1489500"	140.0855495	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H+NH4"	19.041099
"407086"	545.249218	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+Na"	22.989218
"763709"	806.379218	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+Na"	22.989218
"1611807"	284.119218	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Na"	22.989218
"321844"	273.128247	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+H+Na"	23.996494
"715370"	403.693247	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+H+Na"	23.996494
"1469196"	142.563247	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H+Na"	23.996494
"1068481"	95.3779233333333	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2H+Na"	25.00377
"1270687"	294.163486	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+CH3OH+H"	33.033486
"388167"	561.223158	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+K"	38.963158
"749890"	822.353158	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+K"	38.963158
"1553036"	300.093158	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+K"	38.963158
"313128"	281.115217	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+H+K"	39.970434
"704090"	411.680217	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+H+K"	39.970434
"1456818"	150.550217	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H+K"	39.970434
"245420"	564.293826	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+ACN+H"	42.033826
"1223597"	303.163826	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+ACN+H"	42.033826
"1207480"	152.085551	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+ACN+2H"	43.041102
"203836"	567.23116	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+2Na-H"	44.97116
"639911"	828.36116	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+2Na-H"	44.97116
"1138312"	306.10116	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2Na-H"	44.97116
"175768"	284.119218	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+2Na"	45.978436
"619339"	414.684218	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+2Na"	45.978436
"1128681"	153.554218	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2Na"	45.978436
"1404550"	102.705237333333	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H+2Na"	46.985712
"1442135"	308.142746	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H+HCOOH"	47.012746
"224543"	289.15224	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+3H2O+2H"	56.04448
"1515520"	322.19479	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+IsoProp+H"	61.06479
"414476"	292.106188	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+Na+K"	61.952376
"774741"	422.671188	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+Na+K"	61.952376
"1669249"	161.541188	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Na+K"	61.952376
"257226"	586.275768	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+ACN+Na"	64.015768
"1229937"	325.145768	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+ACN+Na"	64.015768
"1716272"	325.169293	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+NH4+HCOOH"	64.039293
"1187098"	110.032551333333	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+3Na"	68.967654
"1659184"	330.124688	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Na+HCOOH"	68.994688
"172379"	599.17904	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+2K-H"	76.91904
"609980"	860.30904	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+2K-H"	76.91904
"1097773"	338.04904	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2K-H"	76.91904
"155682"	300.093158	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"2M+2K"	77.926316
"594759"	430.658158	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"3M+2K"	77.926316
"1083527"	169.528158	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2K"	77.926316
"1115043"	340.063592	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2K+H"	78.933592
"1350937"	340.151207	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+DMSO+H"	79.021207
"1019946"	344.190376	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2ACN+H"	83.060376
"1532721"	345.184008	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+IsoProp+Na+H"	84.054008
"996981"	172.598826	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+2ACN+2H"	84.067652
"1595858"	346.098628	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+K+HCOOH"	84.968628
"1417143"	376.130138	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+H+CF3COOH"	115.000138
"1150711"	193.112101	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+3ACN+2H"	125.094202
"1698074"	393.156685	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+NH4+CF3COOH"	132.026685
"1635916"	398.11208	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+Na+CF3COOH"	136.98208
"1579222"	414.08602	"C11114"	"Methapyrilene"	"C14H19N3S"	"261.13"	"M+K+CF3COOH"	152.95602
"804121"	110.0368	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M"	0
"974257"	91.01841	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-H2O-H"	-19.01839
"63708"	72.3505906666667	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M-3H"	-3.021828
"505457"	109.029524	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M-3H"	-3.021828
"879971"	35.6716573333333	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-3H"	-3.021828
"1836"	109.029524	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M-2H"	-2.014552
"440066"	164.047924	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M-2H"	-2.014552
"817615"	54.011124	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-2H"	-2.014552
"79425"	219.066324	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M-H"	-1.007276
"518695"	329.103124	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M-H"	-1.007276
"895931"	109.029524	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-H"	-1.007276
"47429"	236.092871	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M-2H+NH4"	16.019271
"488166"	346.129671	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M-2H+NH4"	16.019271
"865009"	126.056071	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-2H+NH4"	16.019271
"32186"	241.048266	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M-2H+Na"	20.974666
"472476"	351.085066	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M-2H+Na"	20.974666
"848895"	131.011466	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-2H+Na"	20.974666
"1618712"	131.011466	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Na-2H"	20.974666
"94356"	127.017863	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M-H+Cl"	33.962126
"534843"	182.036263	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M-H+Cl"	33.962126
"927593"	71.999463	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-H+Cl"	33.962126
"278911"	255.043002	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+Cl"	34.969402
"663679"	365.079802	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+Cl"	34.969402
"1277176"	145.006202	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Cl"	34.969402
"28481"	257.022206	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M-2H+K"	36.948606
"462575"	367.059006	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M-2H+K"	36.948606
"842564"	146.985406	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-2H+K"	36.948606
"1564959"	146.985406	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+K-2H"	36.948606
"956124"	155.034994	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-H+HCOOH"	44.998194
"374341"	265.071801	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+HCOOH-H"	44.998201
"347292"	279.087451	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+Hac-H"	59.013851
"1492859"	169.050651	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Hac-H"	59.013851
"965848"	177.016951	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-H+NaCOOH"	66.980151
"118036"	145.006202	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+2Cl"	69.938804
"551035"	200.024602	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+2Cl"	69.938804
"1022381"	89.987802	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2Cl"	69.938804
"1243785"	188.955685	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Br"	78.918885
"1306599"	191.011672	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Cl+HCOOH"	80.974872
"1323363"	212.993629	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Cl+NaCOOH"	102.956829
"912965"	223.022386	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M-H+CF3COOH"	112.985586
"1290043"	258.999064	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Cl+CF3COOH"	148.962264
"1374045"	75.024124	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H-2H2O"	-35.012676
"1383887"	93.0341	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H-H2O"	-17.0027
"284666"	221.080876	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+H"	1.007276
"675703"	331.117676	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+H"	1.007276
"1357814"	111.044076	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H"	1.007276
"140180"	111.044076	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+2H"	2.014552
"572449"	166.062476	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+2H"	2.014552
"1044531"	56.025676	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2H"	2.014552
"214619"	74.3651426666667	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+3H"	3.021828
"651991"	111.044076	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+3H"	3.021828
"1174493"	37.6862093333333	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+3H"	3.021828
"432297"	238.107423	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+NH4"	18.033823
"797666"	348.144223	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+NH4"	18.033823
"1688529"	128.070623	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+NH4"	18.033823
"333527"	119.5573495	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+H+NH4"	19.041099
"731416"	174.5757495	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+H+NH4"	19.041099
"1483050"	64.5389495	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H+NH4"	19.041099
"402824"	243.062818	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+Na"	22.989218
"762727"	353.099618	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+Na"	22.989218
"1609731"	133.026018	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Na"	22.989218
"318675"	122.035047	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+H+Na"	23.996494
"715480"	177.053447	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+H+Na"	23.996494
"1468213"	67.016647	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H+Na"	23.996494
"1067659"	45.0135233333333	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2H+Na"	25.00377
"1270431"	143.070286	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+CH3OH+H"	33.033486
"388278"	259.036758	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+K"	38.963158
"749272"	369.073558	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+K"	38.963158
"1551325"	148.999958	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+K"	38.963158
"311780"	130.022017	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+H+K"	39.970434
"703107"	185.040417	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+H+K"	39.970434
"1456927"	75.003617	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H+K"	39.970434
"245529"	262.107426	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+ACN+H"	42.033826
"1224681"	152.070626	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+ACN+H"	42.033826
"1207590"	76.538951	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+ACN+2H"	43.041102
"201554"	265.04476	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+2Na-H"	44.97116
"638927"	375.08156	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+2Na-H"	44.97116
"1138058"	155.00796	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2Na-H"	44.97116
"175878"	133.026018	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+2Na"	45.978436
"613979"	188.044418	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+2Na"	45.978436
"1127698"	78.007618	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2Na"	45.978436
"1405754"	52.3408373333333	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H+2Na"	46.985712
"1438965"	157.049546	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H+HCOOH"	47.012746
"223196"	138.05904	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+3H2O+2H"	56.04448
"1511620"	171.10159	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+IsoProp+H"	61.06479
"412763"	141.012988	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+Na+K"	61.952376
"773758"	196.031388	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+Na+K"	61.952376
"1668630"	85.994588	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Na+K"	61.952376
"253691"	284.089368	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+ACN+Na"	64.015768
"1226767"	174.052568	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+ACN+Na"	64.015768
"1716382"	174.076093	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+NH4+HCOOH"	64.039293
"1186115"	59.6681513333333	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+3Na"	68.967654
"1660388"	179.031488	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Na+HCOOH"	68.994688
"172778"	296.99264	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+2K-H"	76.91904
"610820"	407.02944	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+2K-H"	76.91904
"1096789"	186.95584	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2K-H"	76.91904
"155792"	148.999958	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"2M+2K"	77.926316
"596655"	204.018358	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"3M+2K"	77.926316
"1083923"	93.981558	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2K"	77.926316
"1115435"	188.970392	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2K+H"	78.933592
"1350922"	189.058007	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+DMSO+H"	79.021207
"1019447"	193.097176	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2ACN+H"	83.060376
"1532831"	194.090808	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+IsoProp+Na+H"	84.054008
"997091"	97.052226	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+2ACN+2H"	84.067652
"1595968"	195.005428	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+K+HCOOH"	84.968628
"1419440"	225.036938	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+H+CF3COOH"	115.000138
"1150821"	117.565501	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+3ACN+2H"	125.094202
"1697819"	242.063485	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+NH4+CF3COOH"	132.026685
"1636026"	247.01888	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+Na+CF3COOH"	136.98208
"1579332"	262.99282	"C11115"	"5-Methyl-2-furaldehyde;5-Methyl-2-furfural"	"C6H6O2"	"110.0368"	"M+K+CF3COOH"	152.95602
"802043"	128.0222	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M"	0
"976670"	109.00381	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-H2O-H"	-19.01839
"63818"	84.3408573333333	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M-3H"	-3.021828
"509940"	127.014924	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M-3H"	-3.021828
"880695"	41.6667906666667	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-3H"	-3.021828
"484"	127.014924	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M-2H"	-2.014552
"440895"	191.026024	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M-2H"	-2.014552
"817605"	63.003824	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-2H"	-2.014552
"80508"	255.037124	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M-H"	-1.007276
"519334"	383.059324	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M-H"	-1.007276
"896892"	127.014924	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-H"	-1.007276
"48715"	272.063671	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M-2H+NH4"	16.019271
"487912"	400.085871	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M-2H+NH4"	16.019271
"864757"	144.041471	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-2H+NH4"	16.019271
"33389"	277.019066	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M-2H+Na"	20.974666
"472220"	405.041266	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M-2H+Na"	20.974666
"848886"	148.996866	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-2H+Na"	20.974666
"1620650"	148.996866	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Na-2H"	20.974666
"94529"	145.003263	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M-H+Cl"	33.962126
"536009"	209.014363	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M-H+Cl"	33.962126
"929524"	80.992163	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-H+Cl"	33.962126
"273553"	291.013802	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+Cl"	34.969402
"664150"	419.036002	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+Cl"	34.969402
"1276921"	162.991602	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Cl"	34.969402
"26404"	292.993006	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M-2H+K"	36.948606
"462685"	421.015206	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M-2H+K"	36.948606
"839394"	164.970806	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-2H+K"	36.948606
"1559602"	164.970806	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+K-2H"	36.948606
"951860"	173.020394	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-H+HCOOH"	44.998194
"376152"	301.042601	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+HCOOH-H"	44.998201
"350682"	315.058251	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+Hac-H"	59.013851
"1494045"	187.036051	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Hac-H"	59.013851
"964866"	195.002351	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-H+NaCOOH"	66.980151
"113774"	162.991602	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+2Cl"	69.938804
"553334"	227.002702	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+2Cl"	69.938804
"1022128"	98.980502	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2Cl"	69.938804
"1243531"	206.941085	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Br"	78.918885
"1307801"	208.997072	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Cl+HCOOH"	80.974872
"1327121"	230.979029	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Cl+NaCOOH"	102.956829
"915262"	241.007786	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M-H+CF3COOH"	112.985586
"1291979"	276.984464	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Cl+CF3COOH"	148.962264
"1377435"	93.009524	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H-2H2O"	-35.012676
"1387278"	111.0195	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H-H2O"	-17.0027
"284777"	257.051676	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+H"	1.007276
"676228"	385.073876	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+H"	1.007276
"1362299"	129.029476	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H"	1.007276
"136280"	129.029476	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+2H"	2.014552
"580462"	193.040576	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+2H"	2.014552
"1049018"	65.018376	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2H"	2.014552
"215461"	86.3554093333333	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+3H"	3.021828
"654292"	129.029476	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+3H"	3.021828
"1177034"	43.6813426666667	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+3H"	3.021828
"432408"	274.078223	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+NH4"	18.033823
"799963"	402.100423	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+NH4"	18.033823
"1689734"	146.056023	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+NH4"	18.033823
"334733"	137.5427495	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+H+NH4"	19.041099
"726062"	201.5538495	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+H+NH4"	19.041099
"1486443"	73.5316495	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H+NH4"	19.041099
"395282"	279.033618	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+Na"	22.989218
"755184"	407.055818	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+Na"	22.989218
"1606563"	151.011418	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Na"	22.989218
"318785"	140.020447	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+H+Na"	23.996494
"713404"	204.031547	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+H+Na"	23.996494
"1473794"	76.009347	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H+Na"	23.996494
"1065947"	51.0086566666667	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2H+Na"	25.00377
"1271636"	161.055686	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+CH3OH+H"	33.033486
"388388"	295.007558	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+K"	38.963158
"750475"	423.029758	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+K"	38.963158
"1552530"	166.985358	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+K"	38.963158
"311893"	148.007417	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+H+K"	39.970434
"703220"	212.018517	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+H+K"	39.970434
"1455944"	83.996317	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H+K"	39.970434
"245640"	298.078226	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+ACN+H"	42.033826
"1220541"	170.056026	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+ACN+H"	42.033826
"1205516"	85.531651	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+ACN+2H"	43.041102
"198385"	301.01556	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+2Na-H"	44.97116
"637945"	429.03776	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+2Na-H"	44.97116
"1138168"	172.99336	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2Na-H"	44.97116
"175988"	151.011418	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+2Na"	45.978436
"614818"	215.022518	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+2Na"	45.978436
"1126715"	87.000318	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2Na"	45.978436
"1404771"	58.3359706666667	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H+2Na"	46.985712
"1439075"	175.034946	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H+HCOOH"	47.012746
"221118"	156.04444	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+3H2O+2H"	56.04448
"1512460"	189.08699	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+IsoProp+H"	61.06479
"409958"	158.998388	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+Na+K"	61.952376
"770707"	223.009488	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+Na+K"	61.952376
"1666308"	94.987288	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Na+K"	61.952376
"251730"	320.060168	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+ACN+Na"	64.015768
"1226148"	192.037968	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+ACN+Na"	64.015768
"1713212"	192.061493	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+NH4+HCOOH"	64.039293
"1186955"	65.6632846666667	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+3Na"	68.967654
"1659405"	197.016888	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Na+HCOOH"	68.994688
"172831"	332.96344	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+2K-H"	76.91904
"611294"	460.98564	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+2K-H"	76.91904
"1096899"	204.94124	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2K-H"	76.91904
"155661"	166.985358	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"2M+2K"	77.926316
"596724"	230.996458	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"3M+2K"	77.926316
"1084079"	102.974258	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2K"	77.926316
"1115427"	206.955792	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2K+H"	78.933592
"1349084"	207.043407	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+DMSO+H"	79.021207
"1018707"	211.082576	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2ACN+H"	83.060376
"1529662"	212.076208	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+IsoProp+Na+H"	84.054008
"995015"	106.044926	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+2ACN+2H"	84.067652
"1592798"	212.990828	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+K+HCOOH"	84.968628
"1419550"	243.022338	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+H+CF3COOH"	115.000138
"1148744"	126.558201	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+3ACN+2H"	125.094202
"1698293"	260.048885	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+NH4+CF3COOH"	132.026685
"1635043"	265.00428	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+Na+CF3COOH"	136.98208
"1579442"	280.97822	"C11116"	"1-Methylparabanic acid;Imidazolidinetrione methyl-"	"C4H4N2O3"	"128.0222"	"M+K+CF3COOH"	152.95602
"802882"	146.0328	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M"	0
"975808"	127.01441	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-H2O-H"	-19.01839
"67207"	96.347924	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M-3H"	-3.021828
"507864"	145.025524	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M-3H"	-3.021828
"887851"	47.670324	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-3H"	-3.021828
"3147"	145.025524	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M-2H"	-2.014552
"442707"	218.041924	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M-2H"	-2.014552
"819169"	72.009124	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-2H"	-2.014552
"79769"	291.058324	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M-H"	-1.007276
"519208"	437.091124	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M-H"	-1.007276
"896644"	145.025524	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-H"	-1.007276
"47861"	308.084871	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M-2H+NH4"	16.019271
"488394"	454.117671	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M-2H+NH4"	16.019271
"866077"	162.052071	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-2H+NH4"	16.019271
"36414"	313.040266	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M-2H+Na"	20.974666
"473788"	459.073066	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M-2H+Na"	20.974666
"850497"	167.007466	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-2H+Na"	20.974666
"1620396"	167.007466	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Na-2H"	20.974666
"94969"	163.013863	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M-H+Cl"	33.962126
"535755"	236.030263	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M-H+Cl"	33.962126
"929998"	89.997463	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-H+Cl"	33.962126
"273663"	327.035002	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+Cl"	34.969402
"663167"	473.067802	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+Cl"	34.969402
"1277395"	181.002202	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Cl"	34.969402
"26514"	329.014206	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M-2H+K"	36.948606
"460609"	475.047006	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M-2H+K"	36.948606
"840598"	182.981406	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-2H+K"	36.948606
"1562992"	182.981406	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+K-2H"	36.948606
"951970"	191.030994	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-H+HCOOH"	44.998194
"376021"	337.063801	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+HCOOH-H"	44.998201
"348605"	351.079451	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+Hac-H"	59.013851
"1493304"	205.046651	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Hac-H"	59.013851
"963882"	213.012951	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-H+NaCOOH"	66.980151
"114977"	181.002202	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+2Cl"	69.938804
"552350"	254.018602	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+2Cl"	69.938804
"1022241"	107.985802	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2Cl"	69.938804
"1243277"	224.951685	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Br"	78.918885
"1311923"	227.007672	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Cl+HCOOH"	80.974872
"1322493"	248.989629	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Cl+NaCOOH"	102.956829
"912456"	259.018386	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M-H+CF3COOH"	112.985586
"1293183"	294.995064	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Cl+CF3COOH"	148.962264
"1376452"	111.020124	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H-2H2O"	-35.012676
"1387388"	129.0301	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H-H2O"	-17.0027
"285008"	293.072876	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+H"	1.007276
"675969"	439.105676	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+H"	1.007276
"1360222"	147.040076	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H"	1.007276
"136390"	147.040076	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+2H"	2.014552
"577776"	220.056476	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+2H"	2.014552
"1045847"	74.023676	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2H"	2.014552
"215207"	98.362476	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+3H"	3.021828
"654401"	147.040076	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+3H"	3.021828
"1175441"	49.684876	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+3H"	3.021828
"436527"	310.099423	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+NH4"	18.033823
"798981"	456.132223	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+NH4"	18.033823
"1692031"	164.066623	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+NH4"	18.033823
"335936"	155.5533495	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+H+NH4"	19.041099
"729451"	228.5697495	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+H+NH4"	19.041099
"1483275"	82.5369495	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H+NH4"	19.041099
"397579"	315.054818	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+Na"	22.989218
"760762"	461.087618	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+Na"	22.989218
"1611047"	169.022018	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Na"	22.989218
"324362"	158.031047	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+H+Na"	23.996494
"711327"	231.047447	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+H+Na"	23.996494
"1473904"	85.014647	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H+Na"	23.996494
"1066057"	57.01219	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2H+Na"	25.00377
"1268829"	179.066286	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+CH3OH+H"	33.033486
"389591"	331.028758	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+K"	38.963158
"749492"	477.061558	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+K"	38.963158
"1548263"	184.995958	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+K"	38.963158
"311274"	166.018017	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+H+K"	39.970434
"701143"	239.034417	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+H+K"	39.970434
"1453868"	93.001617	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H+K"	39.970434
"244657"	334.099426	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+ACN+H"	42.033826
"1220651"	188.066626	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+ACN+H"	42.033826
"1205626"	94.536951	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+ACN+2H"	43.041102
"199223"	337.03676	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+2Na-H"	44.97116
"637690"	483.06956	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+2Na-H"	44.97116
"1137549"	191.00396	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2Na-H"	44.97116
"176098"	169.022018	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+2Na"	45.978436
"617844"	242.038418	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+2Na"	45.978436
"1124636"	96.005618	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2Na"	45.978436
"1404881"	64.339504	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H+2Na"	46.985712
"1436997"	193.045546	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H+HCOOH"	47.012746
"221228"	174.05504	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+3H2O+2H"	56.04448
"1511477"	207.09759	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+IsoProp+H"	61.06479
"410432"	177.008988	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+Na+K"	61.952376
"770695"	250.025388	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+Na+K"	61.952376
"1667754"	103.992588	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Na+K"	61.952376
"253545"	356.081368	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+ACN+Na"	64.015768
"1226377"	210.048568	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+ACN+Na"	64.015768
"1713806"	210.072093	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+NH4+HCOOH"	64.039293
"1184149"	71.666818	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+3Na"	68.967654
"1660608"	215.027488	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Na+HCOOH"	68.994688
"172333"	368.98464	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+2K-H"	76.91904
"611283"	515.01744	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+2K-H"	76.91904
"1097009"	222.95184	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2K-H"	76.91904
"155408"	184.995958	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"2M+2K"	77.926316
"596554"	258.012358	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"3M+2K"	77.926316
"1083619"	111.979558	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2K"	77.926316
"1115477"	224.966392	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2K+H"	78.933592
"1347493"	225.054007	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+DMSO+H"	79.021207
"1018939"	229.093176	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2ACN+H"	83.060376
"1529772"	230.086808	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+IsoProp+Na+H"	84.054008
"996218"	115.050226	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+2ACN+2H"	84.067652
"1595095"	231.001428	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+K+HCOOH"	84.968628
"1420754"	261.032938	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+H+CF3COOH"	115.000138
"1151041"	135.563501	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+3ACN+2H"	125.094202
"1698407"	278.059485	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+NH4+CF3COOH"	132.026685
"1635274"	283.01488	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+Na+CF3COOH"	136.98208
"1579552"	298.98882	"C11117"	"5-N-Methyloxaluric acid"	"C4H6N2O4"	"146.0328"	"M+K+CF3COOH"	152.95602
"802262"	99.0684	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M"	0
"975064"	80.05001	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-H2O-H"	-19.01839
"64402"	65.038324	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M-3H"	-3.021828
"507245"	98.061124	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M-3H"	-3.021828
"885775"	32.015524	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-3H"	-3.021828
"1435"	98.061124	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M-2H"	-2.014552
"441724"	147.595324	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M-2H"	-2.014552
"819159"	48.526924	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-2H"	-2.014552
"79635"	197.129524	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M-H"	-1.007276
"519805"	296.197924	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M-H"	-1.007276
"895668"	98.061124	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-H"	-1.007276
"48217"	214.156071	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M-2H+NH4"	16.019271
"487449"	313.224471	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M-2H+NH4"	16.019271
"864243"	115.087671	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-2H+NH4"	16.019271
"31652"	219.111466	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M-2H+Na"	20.974666
"477178"	318.179866	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M-2H+Na"	20.974666
"852793"	120.043066	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-2H+Na"	20.974666
"1622328"	120.043066	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Na-2H"	20.974666
"97398"	116.049463	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M-H+Cl"	33.962126
"538053"	165.583663	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M-H+Cl"	33.962126
"933028"	66.515263	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-H+Cl"	33.962126
"277054"	233.106202	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+Cl"	34.969402
"662549"	332.174602	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+Cl"	34.969402
"1279694"	134.037802	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Cl"	34.969402
"23344"	235.085406	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M-2H+K"	36.948606
"460719"	334.153806	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M-2H+K"	36.948606
"838522"	136.017006	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-2H+K"	36.948606
"1563102"	136.017006	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+K-2H"	36.948606
"949894"	144.066594	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-H+HCOOH"	44.998194
"376129"	243.135001	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+HCOOH-H"	44.998201
"355275"	257.150651	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+Hac-H"	59.013851
"1495361"	158.082251	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Hac-H"	59.013851
"959984"	166.048551	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-H+NaCOOH"	66.980151
"112900"	134.037802	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+2Cl"	69.938804
"550880"	183.572002	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+2Cl"	69.938804
"1023083"	84.503602	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2Cl"	69.938804
"1243389"	177.987285	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Br"	78.918885
"1315314"	180.043272	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Cl+HCOOH"	80.974872
"1322603"	202.025229	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Cl+NaCOOH"	102.956829
"915484"	212.053986	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M-H+CF3COOH"	112.985586
"1293293"	248.030664	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Cl+CF3COOH"	148.962264
"1376562"	64.055724	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H-2H2O"	-35.012676
"1389686"	82.0657	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H-H2O"	-17.0027
"288280"	199.144076	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+H"	1.007276
"677419"	298.212476	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+H"	1.007276
"1361426"	100.075676	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H"	1.007276
"137594"	100.075676	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+2H"	2.014552
"579344"	149.609876	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+2H"	2.014552
"1042678"	50.541476	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2H"	2.014552
"216410"	67.052876	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+3H"	3.021828
"654511"	100.075676	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+3H"	3.021828
"1175917"	34.030076	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+3H"	3.021828
"439517"	216.170623	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+NH4"	18.033823
"800916"	315.239023	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+NH4"	18.033823
"1693600"	117.102223	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+NH4"	18.033823
"334953"	108.5889495	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+H+NH4"	19.041099
"726646"	158.1231495	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+H+NH4"	19.041099
"1487758"	59.0547495	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H+NH4"	19.041099
"402063"	221.126018	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+Na"	22.989218
"764152"	320.194418	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+Na"	22.989218
"1614438"	122.057618	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Na"	22.989218
"325565"	111.066647	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+H+Na"	23.996494
"720173"	160.600847	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+H+Na"	23.996494
"1475962"	61.532447	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H+Na"	23.996494
"1066896"	41.35739	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2H+Na"	25.00377
"1271126"	132.101886	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+CH3OH+H"	33.033486
"388608"	237.099958	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+K"	38.963158
"748510"	336.168358	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+K"	38.963158
"1549467"	138.031558	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+K"	38.963158
"309926"	119.053617	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+H+K"	39.970434
"705872"	168.587817	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+H+K"	39.970434
"1453980"	69.519417	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H+K"	39.970434
"242944"	240.170626	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+ACN+H"	42.033826
"1219664"	141.102226	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+ACN+H"	42.033826
"1203549"	71.054751	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+ACN+2H"	43.041102
"195326"	243.10796	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+2Na-H"	44.97116
"638891"	342.17636	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+2Na-H"	44.97116
"1140574"	144.03956	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2Na-H"	44.97116
"178029"	122.057618	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+2Na"	45.978436
"616490"	171.591818	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+2Na"	45.978436
"1126934"	72.523418	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2Na"	45.978436
"1409366"	48.684704	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H+2Na"	46.985712
"1440024"	146.081146	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H+HCOOH"	47.012746
"226807"	127.09064	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+3H2O+2H"	56.04448
"1515962"	160.13319	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+IsoProp+H"	61.06479
"415648"	130.044588	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+Na+K"	61.952376
"771899"	179.578788	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+Na+K"	61.952376
"1668230"	80.510388	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Na+K"	61.952376
"256571"	262.152568	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+ACN+Na"	64.015768
"1232203"	163.084168	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+ACN+Na"	64.015768
"1718172"	163.107693	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+NH4+HCOOH"	64.039293
"1186445"	56.012018	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+3Na"	68.967654
"1664979"	168.063088	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Na+HCOOH"	68.994688
"172735"	275.05584	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+2K-H"	76.91904
"612576"	374.12424	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+2K-H"	76.91904
"1097119"	175.98744	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2K-H"	76.91904
"154788"	138.031558	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"2M+2K"	77.926316
"596993"	187.565758	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"3M+2K"	77.926316
"1084097"	88.497358	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2K"	77.926316
"1115525"	178.001992	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2K+H"	78.933592
"1347603"	178.089607	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+DMSO+H"	79.021207
"1018684"	182.128776	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2ACN+H"	83.060376
"1533161"	183.122408	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+IsoProp+Na+H"	84.054008
"998514"	91.568026	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+2ACN+2H"	84.067652
"1596298"	184.037028	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+K+HCOOH"	84.968628
"1420864"	214.068538	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+H+CF3COOH"	115.000138
"1151151"	112.081301	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+3ACN+2H"	125.094202
"1699245"	231.095085	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+NH4+CF3COOH"	132.026685
"1638543"	236.05048	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+Na+CF3COOH"	136.98208
"1579662"	252.02442	"C11118"	"N-Methyl-2-pyrrolidinone;1-Methyl-2-pyrrolidinone;N-Methylpyrrolidone"	"C5H9NO"	"99.0684"	"M+K+CF3COOH"	152.95602
"801575"	118.0201	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M"	0
"975176"	99.00171	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-H2O-H"	-19.01839
"65242"	77.6727906666667	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M-3H"	-3.021828
"510271"	117.012824	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M-3H"	-3.021828
"888072"	38.3327573333333	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-3H"	-3.021828
"2274"	117.012824	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M-2H"	-2.014552
"441103"	176.022874	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M-2H"	-2.014552
"818053"	58.002774	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-2H"	-2.014552
"81813"	235.032924	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M-H"	-1.007276
"518733"	353.053024	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M-H"	-1.007276
"897107"	117.012824	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-H"	-1.007276
"47388"	252.059471	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M-2H+NH4"	16.019271
"487401"	370.079571	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M-2H+NH4"	16.019271
"864299"	134.039371	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-2H+NH4"	16.019271
"31490"	257.014866	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M-2H+Na"	20.974666
"476559"	375.034966	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M-2H+Na"	20.974666
"851810"	138.994766	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-2H+Na"	20.974666
"1621709"	138.994766	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Na-2H"	20.974666
"97508"	135.001163	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M-H+Cl"	33.962126
"538163"	194.011213	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M-H+Cl"	33.962126
"933138"	75.991113	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-H+Cl"	33.962126
"274978"	271.009602	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+Cl"	34.969402
"663021"	389.029702	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+Cl"	34.969402
"1276524"	152.989502	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Cl"	34.969402
"20174"	272.988806	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M-2H+K"	36.948606
"466296"	391.008906	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M-2H+K"	36.948606
"838632"	154.968706	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-2H+K"	36.948606
"1563212"	154.968706	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+K-2H"	36.948606
"950004"	163.018294	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-H+HCOOH"	44.998194
"376239"	281.038401	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+HCOOH-H"	44.998201
"360488"	295.054051	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+Hac-H"	59.013851
"1495471"	177.033951	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Hac-H"	59.013851
"960823"	185.000251	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-H+NaCOOH"	66.980151
"114105"	152.989502	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+2Cl"	69.938804
"552935"	211.999552	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+2Cl"	69.938804
"1025745"	93.979452	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2Cl"	69.938804
"1244230"	196.938985	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Br"	78.918885
"1315424"	198.994972	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Cl+HCOOH"	80.974872
"1324172"	220.976929	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Cl+NaCOOH"	102.956829
"915230"	231.005686	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M-H+CF3COOH"	112.985586
"1292674"	266.982364	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Cl+CF3COOH"	148.962264
"1376672"	83.007424	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H-2H2O"	-35.012676
"1395263"	101.0174	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H-H2O"	-17.0027
"289483"	237.047476	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+H"	1.007276
"678623"	355.067576	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+H"	1.007276
"1364453"	119.027376	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H"	1.007276
"137704"	119.027376	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+2H"	2.014552
"579094"	178.037426	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+2H"	2.014552
"1048984"	60.017326	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2H"	2.014552
"219317"	79.6873426666667	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+3H"	3.021828
"659730"	119.027376	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+3H"	3.021828
"1176753"	40.3473093333333	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+3H"	3.021828
"437839"	254.074023	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+NH4"	18.033823
"800051"	372.094123	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+NH4"	18.033823
"1694072"	136.053923	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+NH4"	18.033823
"335064"	127.5406495	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+H+NH4"	19.041099
"734046"	186.5506995	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+H+NH4"	19.041099
"1491149"	68.5305995	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H+NH4"	19.041099
"403267"	259.029418	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+Na"	22.989218
"765355"	377.049518	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+Na"	22.989218
"1616370"	141.009318	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Na"	22.989218
"326769"	130.018347	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+H+Na"	23.996494
"721139"	189.028397	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+H+Na"	23.996494
"1475219"	71.008297	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H+Na"	23.996494
"1067369"	47.6746233333333	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2H+Na"	25.00377
"1271599"	151.053586	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+CH3OH+H"	33.033486
"389448"	275.003358	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+K"	38.963158
"748620"	393.023458	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+K"	38.963158
"1548484"	156.983258	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+K"	38.963158
"310037"	138.005317	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+H+K"	39.970434
"704645"	197.015367	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+H+K"	39.970434
"1454090"	78.995267	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H+K"	39.970434
"243783"	278.074026	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+ACN+H"	42.033826
"1217588"	160.053926	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+ACN+H"	42.033826
"1203659"	80.530601	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+ACN+2H"	43.041102
"197620"	281.01136	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+2Na-H"	44.97116
"637178"	399.03146	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+2Na-H"	44.97116
"1145423"	162.99126	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2Na-H"	44.97116
"177775"	141.009318	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+2Na"	45.978436
"615993"	200.019368	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+2Na"	45.978436
"1122670"	81.999268	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2Na"	45.978436
"1409474"	55.0019373333333	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H+2Na"	46.985712
"1440497"	165.032846	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H+HCOOH"	47.012746
"228011"	146.04234	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+3H2O+2H"	56.04448
"1516071"	179.08489	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+IsoProp+H"	61.06479
"415759"	148.996288	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+Na+K"	61.952376
"776752"	208.006338	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+Na+K"	61.952376
"1668706"	89.986238	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Na+K"	61.952376
"255587"	300.055968	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+ACN+Na"	64.015768
"1230490"	182.035868	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+ACN+Na"	64.015768
"1717918"	182.059393	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+NH4+HCOOH"	64.039293
"1187648"	62.3292513333333	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+3Na"	68.967654
"1663381"	187.014788	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Na+HCOOH"	68.994688
"168782"	312.95924	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+2K-H"	76.91904
"607249"	430.97934	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+2K-H"	76.91904
"1094674"	194.93914	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2K-H"	76.91904
"154046"	156.983258	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"2M+2K"	77.926316
"597062"	215.993308	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"3M+2K"	77.926316
"1083927"	97.973208	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2K"	77.926316
"1115434"	196.953692	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2K+H"	78.933592
"1348806"	197.041307	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+DMSO+H"	79.021207
"1017335"	201.080476	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2ACN+H"	83.060376
"1536550"	202.074108	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+IsoProp+Na+H"	84.054008
"999717"	101.043876	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+2ACN+2H"	84.067652
"1590941"	202.988728	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+K+HCOOH"	84.968628
"1419881"	233.020238	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+H+CF3COOH"	115.000138
"1147614"	121.557151	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+3ACN+2H"	125.094202
"1699719"	250.046785	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+NH4+CF3COOH"	132.026685
"1635737"	255.00218	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+Na+CF3COOH"	136.98208
"1579772"	270.97612	"C11119"	"3-Nitrosothiazolidine;N-Nitroso-13-thiazolidine"	"C3H6N2OS"	"118.0201"	"M+K+CF3COOH"	152.95602
"801709"	180.1263	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M"	0
"974443"	161.10791	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-H2O-H"	-19.01839
"66446"	119.076924	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M-3H"	-3.021828
"509287"	179.119024	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M-3H"	-3.021828
"889276"	59.034824	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-3H"	-3.021828
"479"	179.119024	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M-2H"	-2.014552
"440360"	269.182174	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M-2H"	-2.014552
"818042"	89.055874	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-2H"	-2.014552
"83018"	359.245324	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M-H"	-1.007276
"518650"	539.371624	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M-H"	-1.007276
"896043"	179.119024	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-H"	-1.007276
"47949"	376.271871	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M-2H+NH4"	16.019271
"487389"	556.398171	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M-2H+NH4"	16.019271
"864579"	196.145571	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-2H+NH4"	16.019271
"31575"	381.227266	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M-2H+Na"	20.974666
"475212"	561.353566	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M-2H+Na"	20.974666
"850826"	201.100966	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-2H+Na"	20.974666
"1621456"	201.100966	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Na-2H"	20.974666
"97620"	197.107363	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M-H+Cl"	33.962126
"537545"	287.170513	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M-H+Cl"	33.962126
"930696"	107.044213	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-H+Cl"	33.962126
"276181"	395.222002	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+Cl"	34.969402
"661310"	575.348302	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+Cl"	34.969402
"1275541"	215.095702	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Cl"	34.969402
"20284"	397.201206	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M-2H+K"	36.948606
"463126"	577.327506	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M-2H+K"	36.948606
"838741"	217.074906	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-2H+K"	36.948606
"1560042"	217.074906	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+K-2H"	36.948606
"950114"	225.124494	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-H+HCOOH"	44.998194
"375256"	405.250801	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+HCOOH-H"	44.998201
"353308"	419.266451	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+Hac-H"	59.013851
"1494487"	239.140151	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Hac-H"	59.013851
"960933"	247.106451	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-H+NaCOOH"	66.980151
"113120"	215.095702	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+2Cl"	69.938804
"550494"	305.158852	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+2Cl"	69.938804
"1026948"	125.032552	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2Cl"	69.938804
"1244340"	259.045185	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Br"	78.918885
"1304350"	261.101172	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Cl+HCOOH"	80.974872
"1325375"	283.083129	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Cl+NaCOOH"	102.956829
"914611"	293.111886	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M-H+CF3COOH"	112.985586
"1289258"	329.088564	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Cl+CF3COOH"	148.962264
"1374595"	145.113624	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H-2H2O"	-35.012676
"1394280"	163.1236	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H-H2O"	-17.0027
"291780"	361.259876	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+H"	1.007276
"682013"	541.386176	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+H"	1.007276
"1364199"	181.133576	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H"	1.007276
"137814"	181.133576	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+2H"	2.014552
"579203"	271.196726	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+2H"	2.014552
"1046178"	91.070426	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2H"	2.014552
"218213"	121.091476	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+3H"	3.021828
"658746"	181.133576	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+3H"	3.021828
"1175771"	61.049376	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+3H"	3.021828
"437949"	378.286423	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+NH4"	18.033823
"799189"	558.412723	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+NH4"	18.033823
"1695520"	198.160123	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+NH4"	18.033823
"335174"	189.6468495	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+H+NH4"	19.041099
"734156"	279.7099995	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+H+NH4"	19.041099
"1489801"	99.5836995	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H+NH4"	19.041099
"404471"	383.241818	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+Na"	22.989218
"767653"	563.368118	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+Na"	22.989218
"1612473"	203.115518	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Na"	22.989218
"324696"	192.124547	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+H+Na"	23.996494
"720032"	282.187697	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+H+Na"	23.996494
"1465478"	102.061397	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H+Na"	23.996494
"1065292"	68.37669	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2H+Na"	25.00377
"1270981"	213.159786	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+CH3OH+H"	33.033486
"388827"	399.215758	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+K"	38.963158
"747637"	579.342058	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+K"	38.963158
"1550417"	219.089458	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+K"	38.963158
"307961"	200.111517	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+H+K"	39.970434
"703297"	290.174667	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+H+K"	39.970434
"1453106"	110.048367	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H+K"	39.970434
"242800"	402.286426	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+ACN+H"	42.033826
"1219885"	222.160126	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+ACN+H"	42.033826
"1202676"	111.583701	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+ACN+2H"	43.041102
"198822"	405.22376	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+2Na-H"	44.97116
"637288"	585.35006	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+2Na-H"	44.97116
"1140793"	225.09746	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2Na-H"	44.97116
"175333"	203.115518	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+2Na"	45.978436
"616348"	293.178668	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+2Na"	45.978436
"1123872"	113.052368	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2Na"	45.978436
"1402656"	75.704004	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H+2Na"	46.985712
"1432953"	227.139046	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H+HCOOH"	47.012746
"228119"	208.14854	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+3H2O+2H"	56.04448
"1515086"	241.19109	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+IsoProp+H"	61.06479
"415864"	211.102488	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+Na+K"	61.952376
"775768"	301.165638	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+Na+K"	61.952376
"1667354"	121.039338	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Na+K"	61.952376
"255333"	424.268368	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+ACN+Na"	64.015768
"1229507"	244.142068	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+ACN+Na"	64.015768
"1716935"	244.165593	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+NH4+HCOOH"	64.039293
"1187758"	83.031318	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+3Na"	68.967654
"1660937"	249.120988	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Na+HCOOH"	68.994688
"168526"	437.17164	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+2K-H"	76.91904
"608452"	617.29794	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+2K-H"	76.91904
"1094055"	257.04534	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2K-H"	76.91904
"154156"	219.089458	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"2M+2K"	77.926316
"592622"	309.152608	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"3M+2K"	77.926316
"1083951"	129.026308	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2K"	77.926316
"1115554"	259.059892	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2K+H"	78.933592
"1350009"	259.147507	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+DMSO+H"	79.021207
"1017445"	263.186676	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2ACN+H"	83.060376
"1536660"	264.180308	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+IsoProp+Na+H"	84.054008
"999827"	132.096976	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+2ACN+2H"	84.067652
"1591051"	265.094928	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+K+HCOOH"	84.968628
"1419991"	295.126438	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+H+CF3COOH"	115.000138
"1148090"	152.610251	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+3ACN+2H"	125.094202
"1698372"	312.152985	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+NH4+CF3COOH"	132.026685
"1638763"	317.10838	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+Na+CF3COOH"	136.98208
"1579882"	333.08232	"C11120"	"Rilmenidine;Oxaminozoline"	"C10H16N2O"	"180.1263"	"M+K+CF3COOH"	152.95602
"813529"	341.0698	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M"	0
"978315"	322.05141	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-H2O-H"	-19.01839
"74210"	226.372590666667	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M-3H"	-3.021828
"509397"	340.062524	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M-3H"	-3.021828
"888292"	112.682657333333	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-3H"	-3.021828
"9054"	340.062524	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M-2H"	-2.014552
"445335"	510.597424	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M-2H"	-2.014552
"820220"	169.527624	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-2H"	-2.014552
"80209"	681.132324	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M-H"	-1.007276
"519771"	1022.202124	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M-H"	-1.007276
"899398"	340.062524	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-H"	-1.007276
"49398"	698.158871	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M-2H+NH4"	16.019271
"487859"	1039.228671	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M-2H+NH4"	16.019271
"864689"	357.089071	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-2H+NH4"	16.019271
"31981"	703.114266	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M-2H+Na"	20.974666
"471793"	1044.184066	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M-2H+Na"	20.974666
"853121"	362.044466	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-2H+Na"	20.974666
"1629222"	362.044466	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Na-2H"	20.974666
"100282"	358.050863	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M-H+Cl"	33.962126
"540936"	528.585763	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M-H+Cl"	33.962126
"933723"	187.515963	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-H+Cl"	33.962126
"279572"	717.109002	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+Cl"	34.969402
"664340"	1058.178802	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+Cl"	34.969402
"1282212"	376.039202	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Cl"	34.969402
"29996"	719.088206	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M-2H+K"	36.948606
"468704"	1060.158006	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M-2H+K"	36.948606
"843226"	378.018406	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-2H+K"	36.948606
"1566714"	378.018406	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+K-2H"	36.948606
"955692"	386.067994	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-H+HCOOH"	44.998194
"373908"	727.137801	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+HCOOH-H"	44.998201
"359620"	741.153451	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+Hac-H"	59.013851
"1504439"	400.083651	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Hac-H"	59.013851
"966512"	408.049951	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-H+NaCOOH"	66.980151
"118698"	376.039202	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+2Cl"	69.938804
"556073"	546.574102	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+2Cl"	69.938804
"1031433"	205.504302	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2Cl"	69.938804
"1252104"	419.988685	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Br"	78.918885
"1312365"	422.044672	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Cl+HCOOH"	80.974872
"1327672"	444.026629	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Cl+NaCOOH"	102.956829
"916544"	454.055386	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M-H+CF3COOH"	112.985586
"1295447"	490.032064	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Cl+CF3COOH"	148.962264
"1374704"	306.057124	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H-2H2O"	-35.012676
"1395483"	324.0671	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H-H2O"	-17.0027
"292982"	683.146876	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+H"	1.007276
"689053"	1024.216676	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+H"	1.007276
"1360661"	342.077076	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H"	1.007276
"137924"	342.077076	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+2H"	2.014552
"577854"	512.611976	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+2H"	2.014552
"1049207"	171.542176	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2H"	2.014552
"218324"	228.387142666667	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+3H"	3.021828
"655938"	342.077076	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+3H"	3.021828
"1177834"	114.697209333333	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+3H"	3.021828
"437582"	700.173423	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+NH4"	18.033823
"800035"	1041.243223	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+NH4"	18.033823
"1695392"	359.103623	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+NH4"	18.033823
"337471"	350.5903495	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+H+NH4"	19.041099
"734267"	521.1252495	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+H+NH4"	19.041099
"1489915"	180.0554495	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H+NH4"	19.041099
"407500"	705.128818	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+Na"	22.989218
"768252"	1046.198618	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+Na"	22.989218
"1614771"	364.059018	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Na"	22.989218
"326994"	353.068047	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+H+Na"	23.996494
"720391"	523.602947	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+H+Na"	23.996494
"1468871"	182.533147	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H+Na"	23.996494
"1062120"	122.024523333333	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2H+Na"	25.00377
"1265990"	374.103286	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+CH3OH+H"	33.033486
"380555"	721.102758	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+K"	38.963158
"746648"	1062.172558	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+K"	38.963158
"1545420"	380.032958	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+K"	38.963158
"304783"	361.055017	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+H+K"	39.970434
"694292"	531.589917	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+H+K"	39.970434
"1449935"	190.520117	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H+K"	39.970434
"241088"	724.173426	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+ACN+H"	42.033826
"1224251"	383.103626	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+ACN+H"	42.033826
"1206066"	192.055451	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+ACN+2H"	43.041102
"196749"	727.11076	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+2Na-H"	44.97116
"634120"	1068.18056	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+2Na-H"	44.97116
"1140903"	386.04096	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2Na-H"	44.97116
"175443"	364.059018	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+2Na"	45.978436
"617556"	534.593918	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+2Na"	45.978436
"1127265"	193.524118	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2Na"	45.978436
"1408601"	129.351837333333	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H+2Na"	46.985712
"1435250"	388.082546	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H+HCOOH"	47.012746
"229322"	369.09204	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+3H2O+2H"	56.04448
"1517383"	402.13459	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+IsoProp+H"	61.06479
"419255"	372.045988	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+Na+K"	61.952376
"776974"	542.580888	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+Na+K"	61.952376
"1672209"	201.511088	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Na+K"	61.952376
"258729"	746.155368	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+ACN+Na"	64.015768
"1233628"	405.085568	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+ACN+Na"	64.015768
"1723608"	405.109093	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+NH4+HCOOH"	64.039293
"1187869"	136.679151333333	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+3Na"	68.967654
"1662142"	410.064488	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Na+HCOOH"	68.994688
"167909"	759.05864	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+2K-H"	76.91904
"608562"	1100.12844	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+2K-H"	76.91904
"1096352"	417.98884	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2K-H"	76.91904
"154266"	380.032958	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"2M+2K"	77.926316
"594919"	550.567858	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"3M+2K"	77.926316
"1081260"	209.498058	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2K"	77.926316
"1114836"	420.003392	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2K+H"	78.933592
"1349999"	420.091007	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+DMSO+H"	79.021207
"1020470"	424.130176	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2ACN+H"	83.060376
"1536406"	425.123808	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+IsoProp+Na+H"	84.054008
"1002124"	212.568726	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+2ACN+2H"	84.067652
"1597721"	426.038428	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+K+HCOOH"	84.968628
"1426661"	456.069938	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+H+CF3COOH"	115.000138
"1151481"	233.082001	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+3ACN+2H"	125.094202
"1699575"	473.096485	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+NH4+CF3COOH"	132.026685
"1638873"	478.05188	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+Na+CF3COOH"	136.98208
"1579992"	494.02582	"C11121"	"Propiconazole"	"C15H17Cl2N3O2"	"341.0698"	"M+K+CF3COOH"	152.95602
"801732"	284.0119	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M"	0
"974653"	264.99351	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-H2O-H"	-19.01839
"63386"	188.333990666667	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M-3H"	-3.021828
"509508"	283.004624	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M-3H"	-3.021828
"887309"	93.6633573333333	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-3H"	-3.021828
"5884"	283.004624	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M-2H"	-2.014552
"442162"	425.010574	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M-2H"	-2.014552
"818262"	140.998674	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-2H"	-2.014552
"81778"	567.016524	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M-H"	-1.007276
"522798"	851.028424	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M-H"	-1.007276
"906066"	283.004624	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-H"	-1.007276
"47920"	584.043071	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M-2H+NH4"	16.019271
"487480"	868.054971	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M-2H+NH4"	16.019271
"864914"	300.031171	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-2H+NH4"	16.019271
"32571"	588.998466	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M-2H+Na"	20.974666
"472267"	873.010366	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M-2H+Na"	20.974666
"852138"	304.986566	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-2H+Na"	20.974666
"1629332"	304.986566	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Na-2H"	20.974666
"100028"	300.992963	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M-H+Cl"	33.962126
"537399"	442.998913	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M-H+Cl"	33.962126
"933469"	158.987013	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-H+Cl"	33.962126
"278589"	602.993202	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+Cl"	34.969402
"664450"	887.005102	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+Cl"	34.969402
"1284509"	318.981302	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Cl"	34.969402
"27067"	604.972406	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M-2H+K"	36.948606
"466627"	888.984306	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M-2H+K"	36.948606
"845526"	320.960506	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-2H+K"	36.948606
"1567920"	320.960506	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+K-2H"	36.948606
"954709"	329.010094	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-H+HCOOH"	44.998194
"371831"	613.022001	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+HCOOH-H"	44.998201
"359728"	627.037651	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+Hac-H"	59.013851
"1495799"	343.025751	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Hac-H"	59.013851
"965527"	350.992051	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-H+NaCOOH"	66.980151
"117715"	318.981302	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+2Cl"	69.938804
"555088"	460.987252	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+2Cl"	69.938804
"1030449"	176.975352	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2Cl"	69.938804
"1255494"	362.930785	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Br"	78.918885
"1317942"	364.986772	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Cl+HCOOH"	80.974872
"1327783"	386.968729	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Cl+NaCOOH"	102.956829
"914468"	396.997486	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M-H+CF3COOH"	112.985586
"1292277"	432.974164	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Cl+CF3COOH"	148.962264
"1371531"	248.999224	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H-2H2O"	-35.012676
"1391213"	267.0092	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H-H2O"	-17.0027
"293089"	569.031076	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+H"	1.007276
"681142"	853.042976	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+H"	1.007276
"1358583"	285.019176	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H"	1.007276
"131472"	285.019176	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+2H"	2.014552
"572123"	427.025126	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+2H"	2.014552
"1050775"	143.013226	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2H"	2.014552
"218799"	190.348542666667	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+3H"	3.021828
"656412"	285.019176	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+3H"	3.021828
"1177822"	95.6779093333333	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+3H"	3.021828
"439393"	586.057623	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+NH4"	18.033823
"800997"	870.069523	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+NH4"	18.033823
"1696473"	302.045723	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+NH4"	18.033823
"338674"	293.5324495	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+H+NH4"	19.041099
"735470"	435.5383995	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+H+NH4"	19.041099
"1491118"	151.5264995	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H+NH4"	19.041099
"406519"	591.013018	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+Na"	22.989218
"768483"	875.024918	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+Na"	22.989218
"1617432"	307.001118	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Na"	22.989218
"328076"	296.010147	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+H+Na"	23.996494
"720743"	438.016097	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+H+Na"	23.996494
"1469710"	154.004197	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H+Na"	23.996494
"1062233"	103.005223333333	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2H+Na"	25.00377
"1268287"	317.045386	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+CH3OH+H"	33.033486
"382488"	606.986958	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+K"	38.963158
"744571"	890.998858	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+K"	38.963158
"1548810"	322.975058	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+K"	38.963158
"305986"	303.997117	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+H+K"	39.970434
"695131"	446.003067	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+H+K"	39.970434
"1451138"	161.991167	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H+K"	39.970434
"240834"	610.057626	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+ACN+H"	42.033826
"1222296"	326.045726	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+ACN+H"	42.033826
"1207269"	163.526501	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+ACN+2H"	43.041102
"196859"	612.99496	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+2Na-H"	44.97116
"637511"	897.00686	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+2Na-H"	44.97116
"1137733"	328.98306	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2Na-H"	44.97116
"176281"	307.001118	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+2Na"	45.978436
"617302"	449.007068	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+2Na"	45.978436
"1128469"	164.995168	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2Na"	45.978436
"1407618"	110.332537333333	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H+2Na"	46.985712
"1438641"	331.024646	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H+HCOOH"	47.012746
"231619"	312.03414	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+3H2O+2H"	56.04448
"1518586"	345.07669	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+IsoProp+H"	61.06479
"420458"	314.988088	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+Na+K"	61.952376
"777085"	456.994038	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+Na+K"	61.952376
"1672319"	172.982138	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Na+K"	61.952376
"258838"	632.039568	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+ACN+Na"	64.015768
"1227904"	348.027668	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+ACN+Na"	64.015768
"1717156"	348.051193	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+NH4+HCOOH"	64.039293
"1186886"	117.659851333333	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+3Na"	68.967654
"1663348"	353.006588	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Na+HCOOH"	68.994688
"170935"	644.94284	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+2K-H"	76.91904
"609765"	928.95474	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+2K-H"	76.91904
"1096462"	360.93094	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2K-H"	76.91904
"154376"	322.975058	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"2M+2K"	77.926316
"595029"	464.981008	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"3M+2K"	77.926316
"1083550"	180.969108	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2K"	77.926316
"1115310"	362.945492	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2K+H"	78.933592
"1350109"	363.033107	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+DMSO+H"	79.021207
"1020823"	367.072276	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2ACN+H"	83.060376
"1536880"	368.065908	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+IsoProp+Na+H"	84.054008
"1004180"	184.039776	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+2ACN+2H"	84.067652
"1597831"	368.980528	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+K+HCOOH"	84.968628
"1429810"	399.012038	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+H+CF3COOH"	115.000138
"1153779"	204.553051	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+3ACN+2H"	125.094202
"1700050"	416.038585	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+NH4+CF3COOH"	132.026685
"1638983"	420.99398	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+Na+CF3COOH"	136.98208
"1580102"	436.96792	"C11122"	"DTP;(24-Dichlorophenyl)(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methanone;4-(24-Dichlorobenzoyl)-13-dimethyl-5-hydroxypyrazole"	"C12H10Cl2N2O2"	"284.0119"	"M+K+CF3COOH"	152.95602
"807188"	438.0208	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M"	0
"977441"	419.00241	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-H2O-H"	-19.01839
"70056"	291.006590666667	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M-3H"	-3.021828
"513992"	437.013524	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M-3H"	-3.021828
"888513"	144.999657333333	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-3H"	-3.021828
"7087"	437.013524	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M-2H"	-2.014552
"443367"	656.023924	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M-2H"	-2.014552
"818372"	218.003124	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-2H"	-2.014552
"81524"	875.034324	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M-H"	-1.007276
"522542"	1313.055124	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M-H"	-1.007276
"902896"	437.013524	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-H"	-1.007276
"47460"	892.060871	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M-2H+NH4"	16.019271
"487506"	1330.081671	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M-2H+NH4"	16.019271
"864504"	454.040071	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-2H+NH4"	16.019271
"31455"	897.016266	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M-2H+Na"	20.974666
"472131"	1335.037066	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M-2H+Na"	20.974666
"851277"	458.995466	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-2H+Na"	20.974666
"1626161"	458.995466	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Na-2H"	20.974666
"101595"	455.001863	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M-H+Cl"	33.962126
"536780"	674.012263	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M-H+Cl"	33.962126
"935763"	235.991463	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-H+Cl"	33.962126
"272134"	911.011002	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+Cl"	34.969402
"675016"	1349.031802	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+Cl"	34.969402
"1286805"	472.990202	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Cl"	34.969402
"28268"	912.990206	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M-2H+K"	36.948606
"470017"	1351.011006	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M-2H+K"	36.948606
"847093"	474.969406	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-2H+K"	36.948606
"1569123"	474.969406	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+K-2H"	36.948606
"954455"	483.018994	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-H+HCOOH"	44.998194
"374128"	921.039801	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+HCOOH-H"	44.998201
"360895"	935.055451	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+Hac-H"	59.013851
"1501376"	497.034651	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Hac-H"	59.013851
"968918"	505.000951	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-H+NaCOOH"	66.980151
"122199"	472.990202	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+2Cl"	69.938804
"561760"	692.000602	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+2Cl"	69.938804
"1036514"	253.979802	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2Cl"	69.938804
"1255604"	516.939685	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Br"	78.918885
"1315865"	518.995672	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Cl+HCOOH"	80.974872
"1327893"	540.977629	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Cl+NaCOOH"	102.956829
"914578"	551.006386	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M-H+CF3COOH"	112.985586
"1292387"	586.983064	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Cl+CF3COOH"	148.962264
"1371641"	403.008124	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H-2H2O"	-35.012676
"1393510"	421.0181	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H-H2O"	-17.0027
"295385"	877.048876	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+H"	1.007276
"688542"	1315.069676	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+H"	1.007276
"1361973"	439.028076	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H"	1.007276
"133769"	439.028076	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+2H"	2.014552
"573327"	658.038476	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+2H"	2.014552
"1051859"	220.017676	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2H"	2.014552
"218423"	293.021142666667	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+3H"	3.021828
"657983"	439.028076	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+3H"	3.021828
"1178175"	147.014209333333	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+3H"	3.021828
"439503"	894.075423	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+NH4"	18.033823
"801067"	1332.096223	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+NH4"	18.033823
"1696945"	456.054623	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+NH4"	18.033823
"342794"	447.5413495	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+H+NH4"	19.041099
"736674"	666.5517495	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+H+NH4"	19.041099
"1492514"	228.5309495	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H+NH4"	19.041099
"408374"	899.030818	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+Na"	22.989218
"769078"	1337.051618	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+Na"	22.989218
"1616081"	461.010018	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Na"	22.989218
"327943"	450.019047	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+H+Na"	23.996494
"721700"	669.029447	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+H+Na"	23.996494
"1462155"	231.008647	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H+Na"	23.996494
"1067811"	154.341523333333	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2H+Na"	25.00377
"1268033"	471.054286	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+CH3OH+H"	33.033486
"389157"	915.004758	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+K"	38.963158
"744681"	1353.025558	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+K"	38.963158
"1547826"	476.983958	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+K"	38.963158
"307189"	458.006017	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+H+K"	39.970434
"702531"	677.016417	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+H+K"	39.970434
"1454527"	238.995617	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H+K"	39.970434
"245316"	918.075426	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+ACN+H"	42.033826
"1224834"	480.054626	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+ACN+H"	42.033826
"1206286"	240.530951	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+ACN+2H"	43.041102
"199155"	921.01276	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+2Na-H"	44.97116
"641994"	1359.03356	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+2Na-H"	44.97116
"1141123"	482.99196	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2Na-H"	44.97116
"176391"	461.010018	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+2Na"	45.978436
"620692"	680.020418	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+2Na"	45.978436
"1128943"	241.999618	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2Na"	45.978436
"1407727"	161.668837333333	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H+2Na"	46.985712
"1434374"	485.033546	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H+HCOOH"	47.012746
"229539"	466.04304	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+3H2O+2H"	56.04448
"1515414"	499.08559	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+IsoProp+H"	61.06479
"421661"	468.996988	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+Na+K"	61.952376
"776098"	688.007388	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+Na+K"	61.952376
"1672428"	249.986588	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Na+K"	61.952376
"263321"	940.057368	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+ACN+Na"	64.015768
"1228014"	502.036568	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+ACN+Na"	64.015768
"1715442"	502.060093	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+NH4+HCOOH"	64.039293
"1188088"	168.996151333333	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+3Na"	68.967654
"1663457"	507.015488	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Na+HCOOH"	68.994688
"171045"	952.96064	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+2K-H"	76.91904
"611577"	1390.98144	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+2K-H"	76.91904
"1097544"	514.93984	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2K-H"	76.91904
"155577"	476.983958	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"2M+2K"	77.926316
"596642"	695.994358	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"3M+2K"	77.926316
"1080741"	257.973558	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2K"	77.926316
"1115176"	516.954392	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2K+H"	78.933592
"1350219"	517.042007	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+DMSO+H"	79.021207
"1020082"	521.081176	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2ACN+H"	83.060376
"1533710"	522.074808	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+IsoProp+Na+H"	84.054008
"1004290"	261.044226	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+2ACN+2H"	84.067652
"1597941"	522.989428	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+K+HCOOH"	84.968628
"1429759"	553.020938	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+H+CF3COOH"	115.000138
"1153889"	281.557501	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+3ACN+2H"	125.094202
"1699067"	570.047485	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+NH4+CF3COOH"	132.026685
"1639093"	575.00288	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+Na+CF3COOH"	136.98208
"1580212"	590.97682	"C11123"	"Pyrazolate;4-(24-Dichlorobenzoyl)-13-dimethyl-5-pyrazolyl p-toluenesulfonate"	"C19H16Cl2N2O4S"	"438.0208"	"M+K+CF3COOH"	152.95602
"802073"	297.2668	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M"	0
"979739"	278.24841	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-H2O-H"	-19.01839
"72358"	197.170590666667	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M-3H"	-3.021828
"507544"	296.259524	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M-3H"	-3.021828
"882426"	98.0816573333333	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-3H"	-3.021828
"2580"	296.259524	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M-2H"	-2.014552
"442383"	444.892924	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M-2H"	-2.014552
"817998"	147.626124	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-2H"	-2.014552
"79447"	593.526324	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M-H"	-1.007276
"520467"	890.793124	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M-H"	-1.007276
"896201"	296.259524	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-H"	-1.007276
"47376"	610.552871	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M-2H+NH4"	16.019271
"488927"	907.819671	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M-2H+NH4"	16.019271
"864258"	313.286071	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-2H+NH4"	16.019271
"32076"	615.508266	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M-2H+Na"	20.974666
"477839"	912.775066	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M-2H+Na"	20.974666
"862205"	318.241466	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-2H+Na"	20.974666
"1631375"	318.241466	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Na-2H"	20.974666
"106080"	314.247863	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M-H+Cl"	33.962126
"545645"	462.881263	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M-H+Cl"	33.962126
"935880"	165.614463	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-H+Cl"	33.962126
"277716"	629.503002	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+Cl"	34.969402
"674881"	926.769802	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+Cl"	34.969402
"1288449"	332.236202	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Cl"	34.969402
"31062"	631.482206	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M-2H+K"	36.948606
"471338"	928.749006	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M-2H+K"	36.948606
"848399"	334.215406	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-2H+K"	36.948606
"1571162"	334.215406	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+K-2H"	36.948606
"958473"	342.264994	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-H+HCOOH"	44.998194
"376879"	639.531801	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+HCOOH-H"	44.998201
"360316"	653.547451	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+Hac-H"	59.013851
"1501489"	356.280651	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Hac-H"	59.013851
"966843"	364.246951	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-H+NaCOOH"	66.980151
"116115"	332.236202	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+2Cl"	69.938804
"555311"	480.869602	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+2Cl"	69.938804
"1028482"	183.602802	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2Cl"	69.938804
"1252435"	376.185685	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Br"	78.918885
"1314884"	378.241672	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Cl+HCOOH"	80.974872
"1326911"	400.223629	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Cl+NaCOOH"	102.956829
"915055"	410.252386	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M-H+CF3COOH"	112.985586
"1295777"	446.229064	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Cl+CF3COOH"	148.962264
"1371751"	262.254124	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H-2H2O"	-35.012676
"1393620"	280.2641	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H-H2O"	-17.0027
"292215"	595.540876	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+H"	1.007276
"689745"	892.807676	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+H"	1.007276
"1362083"	298.274076	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H"	1.007276
"138252"	298.274076	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+2H"	2.014552
"579999"	446.907476	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+2H"	2.014552
"1051240"	149.640676	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2H"	2.014552
"219506"	199.185142666667	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+3H"	3.021828
"659310"	298.274076	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+3H"	3.021828
"1178169"	100.096209333333	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+3H"	3.021828
"439249"	612.567423	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+NH4"	18.033823
"800849"	909.834223	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+NH4"	18.033823
"1696703"	315.300623	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+NH4"	18.033823
"345376"	306.7873495	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+H+NH4"	19.041099
"738213"	455.4207495	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+H+NH4"	19.041099
"1490246"	158.1539495	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H+NH4"	19.041099
"408240"	617.522818	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+Na"	22.989218
"767734"	914.789618	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+Na"	22.989218
"1616925"	320.256018	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Na"	22.989218
"328055"	309.265047	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+H+Na"	23.996494
"720114"	457.898447	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+H+Na"	23.996494
"1462997"	160.631647	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H+Na"	23.996494
"1059165"	107.423523333333	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2H+Na"	25.00377
"1263029"	330.300286	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+CH3OH+H"	33.033486
"385979"	633.496758	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+K"	38.963158
"748071"	930.763558	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+K"	38.963158
"1547935"	336.229958	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+K"	38.963158
"308393"	317.252017	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+H+K"	39.970434
"698626"	465.885417	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+H+K"	39.970434
"1459011"	168.618617	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H+K"	39.970434
"248707"	636.567426	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+ACN+H"	42.033826
"1224576"	339.300626	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+ACN+H"	42.033826
"1209678"	170.153951	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+ACN+2H"	43.041102
"202546"	639.50476	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+2Na-H"	44.97116
"643887"	936.77156	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+2Na-H"	44.97116
"1142327"	342.23796	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2Na-H"	44.97116
"177960"	320.256018	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+2Na"	45.978436
"621166"	468.889418	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+2Na"	45.978436
"1129780"	171.622618	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2Na"	45.978436
"1404557"	114.750837333333	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H+2Na"	46.985712
"1432660"	344.279546	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H+HCOOH"	47.012746
"229649"	325.28904	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+3H2O+2H"	56.04448
"1518804"	358.33159	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+IsoProp+H"	61.06479
"416303"	328.242988	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+Na+K"	61.952376
"781674"	476.876388	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+Na+K"	61.952376
"1672538"	179.609588	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Na+K"	61.952376
"255776"	658.549368	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+ACN+Na"	64.015768
"1230676"	361.282568	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+ACN+Na"	64.015768
"1715552"	361.306093	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+NH4+HCOOH"	64.039293
"1188198"	122.078151333333	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+3Na"	68.967654
"1663567"	366.261488	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Na+HCOOH"	68.994688
"172007"	671.45264	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+2K-H"	76.91904
"612176"	968.71944	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+2K-H"	76.91904
"1099603"	374.18584	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2K-H"	76.91904
"155687"	336.229958	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"2M+2K"	77.926316
"596714"	484.863358	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"3M+2K"	77.926316
"1078665"	187.596558	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2K"	77.926316
"1112967"	376.200392	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2K+H"	78.933592
"1343884"	376.288007	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+DMSO+H"	79.021207
"1018854"	380.327176	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2ACN+H"	83.060376
"1529445"	381.320808	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+IsoProp+Na+H"	84.054008
"1004279"	190.667226	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+2ACN+2H"	84.067652
"1598051"	382.235428	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+K+HCOOH"	84.968628
"1429179"	412.266938	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+H+CF3COOH"	115.000138
"1153999"	211.180501	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+3ACN+2H"	125.094202
"1699176"	429.293485	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+NH4+CF3COOH"	132.026685
"1639203"	434.24888	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+Na+CF3COOH"	136.98208
"1573761"	450.22282	"C11124"	"Spiroxamine;KWG4168"	"C18H35NO2"	"297.2668"	"M+K+CF3COOH"	152.95602
"801364"	385.9819	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M"	0
"975107"	366.96351	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-H2O-H"	-19.01839
"69188"	256.313990666667	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M-3H"	-3.021828
"505466"	384.974624	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M-3H"	-3.021828
"880119"	127.653357333333	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-3H"	-3.021828
"626"	384.974624	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M-2H"	-2.014552
"441157"	577.965574	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M-2H"	-2.014552
"817255"	191.983674	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-2H"	-2.014552
"79557"	770.956524	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M-H"	-1.007276
"519118"	1156.938424	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M-H"	-1.007276
"895678"	384.974624	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-H"	-1.007276
"47522"	787.983071	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M-2H+NH4"	16.019271
"487494"	1173.964971	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M-2H+NH4"	16.019271
"864385"	402.001171	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-2H+NH4"	16.019271
"32309"	792.938466	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M-2H+Na"	20.974666
"473573"	1178.920366	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M-2H+Na"	20.974666
"850648"	406.956566	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-2H+Na"	20.974666
"1623097"	406.956566	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Na-2H"	20.974666
"98533"	402.962963	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M-H+Cl"	33.962126
"538095"	595.953913	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M-H+Cl"	33.962126
"929423"	209.972013	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-H+Cl"	33.962126
"269438"	806.933202	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+Cl"	34.969402
"670248"	1192.915102	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+Cl"	34.969402
"1287027"	420.951302	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Cl"	34.969402
"25208"	808.912406	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M-2H+K"	36.948606
"471381"	1194.894306	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M-2H+K"	36.948606
"848498"	422.930506	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-2H+K"	36.948606
"1569348"	422.930506	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+K-2H"	36.948606
"958382"	430.980094	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-H+HCOOH"	44.998194
"376711"	816.962001	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+HCOOH-H"	44.998201
"360670"	830.977651	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+Hac-H"	59.013851
"1501599"	444.995751	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Hac-H"	59.013851
"966953"	452.962051	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-H+NaCOOH"	66.980151
"116955"	420.951302	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+2Cl"	69.938804
"556514"	613.942252	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+2Cl"	69.938804
"1027498"	227.960352	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2Cl"	69.938804
"1252546"	464.900785	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Br"	78.918885
"1314994"	466.956772	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Cl+HCOOH"	80.974872
"1323741"	488.938729	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Cl+NaCOOH"	102.956829
"914801"	498.967486	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M-H+CF3COOH"	112.985586
"1295886"	534.944164	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Cl+CF3COOH"	148.962264
"1369673"	350.969224	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H-2H2O"	-35.012676
"1388263"	368.9792	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H-H2O"	-17.0027
"292325"	772.971076	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+H"	1.007276
"685844"	1158.952976	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+H"	1.007276
"1362193"	386.989176	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H"	1.007276
"137269"	386.989176	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+2H"	2.014552
"580112"	579.980126	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+2H"	2.014552
"1051471"	193.998226	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2H"	2.014552
"219251"	258.328542666667	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+3H"	3.021828
"659177"	386.989176	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+3H"	3.021828
"1177300"	129.667909333333	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+3H"	3.021828
"436687"	789.997623	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+NH4"	18.033823
"799139"	1175.979523	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+NH4"	18.033823
"1696198"	404.015723	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+NH4"	18.033823
"339005"	395.5024495	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+H+NH4"	19.041099
"736533"	588.4933995	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+H+NH4"	19.041099
"1491813"	202.5114995	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H+NH4"	19.041099
"407212"	794.953018	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+Na"	22.989218
"768205"	1180.934918	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+Na"	22.989218
"1615577"	408.971118	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Na"	22.989218
"327437"	397.980147	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+H+Na"	23.996494
"718400"	590.971097	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+H+Na"	23.996494
"1462254"	204.989197	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H+Na"	23.996494
"1059275"	136.995223333333	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2H+Na"	25.00377
"1262046"	419.015386	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+CH3OH+H"	33.033486
"383902"	810.926958	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+K"	38.963158
"745990"	1196.908858	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+K"	38.963158
"1550231"	424.945058	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+K"	38.963158
"304125"	405.967117	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+H+K"	39.970434
"703111"	598.958067	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+H+K"	39.970434
"1453653"	212.976167	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H+K"	39.970434
"248815"	813.997626	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+ACN+H"	42.033826
"1220432"	428.015726	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+ACN+H"	42.033826
"1204316"	214.511501	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+ACN+2H"	43.041102
"201562"	816.93496	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+2Na-H"	44.97116
"642456"	1202.91686	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+2Na-H"	44.97116
"1143530"	430.95306	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2Na-H"	44.97116
"179165"	408.971118	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+2Na"	45.978436
"622004"	601.962068	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+2Na"	45.978436
"1124421"	215.980168	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2Na"	45.978436
"1405760"	144.322537333333	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H+2Na"	46.985712
"1431675"	432.994646	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H+HCOOH"	47.012746
"227572"	414.00414	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+3H2O+2H"	56.04448
"1515634"	447.04669	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+IsoProp+H"	61.06479
"416413"	416.958088	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+Na+K"	61.952376
"781784"	609.949038	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+Na+K"	61.952376
"1672648"	223.967138	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Na+K"	61.952376
"256979"	835.979568	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+ACN+Na"	64.015768
"1232973"	449.997668	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+ACN+Na"	64.015768
"1718578"	450.021193	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+NH4+HCOOH"	64.039293
"1187215"	151.649851333333	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+3Na"	68.967654
"1664773"	454.976588	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Na+HCOOH"	68.994688
"172842"	848.88284	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+2K-H"	76.91904
"612739"	1234.86474	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+2K-H"	76.91904
"1099884"	462.90094	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2K-H"	76.91904
"155798"	424.945058	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"2M+2K"	77.926316
"597045"	617.936008	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"3M+2K"	77.926316
"1078775"	231.954108	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2K"	77.926316
"1112713"	464.915492	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2K+H"	78.933592
"1343994"	465.003107	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+DMSO+H"	79.021207
"1020544"	469.042276	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2ACN+H"	83.060376
"1530648"	470.035908	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+IsoProp+Na+H"	84.054008
"1004389"	235.024776	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+2ACN+2H"	84.067652
"1598161"	470.950528	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+K+HCOOH"	84.968628
"1428196"	500.982038	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+H+CF3COOH"	115.000138
"1154109"	255.538051	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+3ACN+2H"	125.094202
"1699650"	518.008585	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+NH4+CF3COOH"	132.026685
"1639313"	522.96398	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+Na+CF3COOH"	136.98208
"1573871"	538.93792	"C11125"	"Sulfentrazone;F6285"	"C11H10Cl2F2N4O3S"	"385.9819"	"M+K+CF3COOH"	152.95602
"802051"	333.1608	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M"	0
"974853"	314.14241	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-H2O-H"	-19.01839
"71484"	221.099924	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M-3H"	-3.021828
"503753"	332.153524	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M-3H"	-3.021828
"880824"	110.046324	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-3H"	-3.021828
"161"	332.153524	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M-2H"	-2.014552
"440130"	498.733924	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M-2H"	-2.014552
"817177"	165.573124	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-2H"	-2.014552
"78813"	665.314324	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M-H"	-1.007276
"519098"	998.475124	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M-H"	-1.007276
"896042"	332.153524	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-H"	-1.007276
"47504"	682.340871	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M-2H+NH4"	16.019271
"487238"	1015.501671	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M-2H+NH4"	16.019271
"864622"	349.180071	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-2H+NH4"	16.019271
"34484"	687.296266	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M-2H+Na"	20.974666
"473682"	1020.457066	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M-2H+Na"	20.974666
"850027"	354.135466	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-2H+Na"	20.974666
"1621385"	354.135466	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Na-2H"	20.974666
"96090"	350.141863	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M-H+Cl"	33.962126
"538569"	516.722263	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M-H+Cl"	33.962126
"930259"	183.561463	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-H+Cl"	33.962126
"271002"	701.291002	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+Cl"	34.969402
"670357"	1034.451802	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+Cl"	34.969402
"1281670"	368.130202	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Cl"	34.969402
"19851"	703.270206	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M-2H+K"	36.948606
"471318"	1036.431006	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M-2H+K"	36.948606
"848286"	370.109406	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-2H+K"	36.948606
"1569820"	370.109406	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+K-2H"	36.948606
"958320"	378.158994	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-H+HCOOH"	44.998194
"376167"	711.319801	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+HCOOH-H"	44.998201
"359441"	725.335451	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+Hac-H"	59.013851
"1499521"	392.174651	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Hac-H"	59.013851
"965970"	400.140951	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-H+NaCOOH"	66.980151
"114878"	368.130202	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+2Cl"	69.938804
"555531"	534.710602	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+2Cl"	69.938804
"1026515"	201.549802	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2Cl"	69.938804
"1249375"	412.079685	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Br"	78.918885
"1316196"	414.135672	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Cl+HCOOH"	80.974872
"1320935"	436.117629	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Cl+NaCOOH"	102.956829
"912112"	446.146386	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M-H+CF3COOH"	112.985586
"1290529"	482.123064	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Cl+CF3COOH"	148.962264
"1367630"	298.148124	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H-2H2O"	-35.012676
"1382861"	316.1581	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H-H2O"	-17.0027
"292435"	667.328876	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+H"	1.007276
"685954"	1000.489676	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+H"	1.007276
"1362303"	334.168076	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H"	1.007276
"137379"	334.168076	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+2H"	2.014552
"580098"	500.748476	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+2H"	2.014552
"1051945"	167.587676	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2H"	2.014552
"219118"	223.114476	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+3H"	3.021828
"656855"	334.168076	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+3H"	3.021828
"1176800"	112.060876	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+3H"	3.021828
"437159"	684.355423	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+NH4"	18.033823
"798885"	1017.516223	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+NH4"	18.033823
"1694120"	351.194623	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+NH4"	18.033823
"334739"	342.6813495	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+H+NH4"	19.041099
"732631"	509.2617495	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+H+NH4"	19.041099
"1489368"	176.1009495	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H+NH4"	19.041099
"402944"	689.310818	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+Na"	22.989218
"763939"	1022.471618	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+Na"	22.989218
"1613862"	356.150018	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Na"	22.989218
"325357"	345.159047	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+H+Na"	23.996494
"718869"	511.739447	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+H+Na"	23.996494
"1461548"	178.578647	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H+Na"	23.996494
"1052932"	119.38819	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2H+Na"	25.00377
"1257044"	366.194286	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+CH3OH+H"	33.033486
"381825"	705.284758	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+K"	38.963158
"743913"	1038.445558	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+K"	38.963158
"1548153"	372.123958	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+K"	38.963158
"302048"	353.146017	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+H+K"	39.970434
"699940"	519.726417	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+H+K"	39.970434
"1450482"	186.565617	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H+K"	39.970434
"240177"	708.355426	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+ACN+H"	42.033826
"1216169"	375.194626	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+ACN+H"	42.033826
"1204426"	188.100951	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+ACN+2H"	43.041102
"196204"	711.29276	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+2Na-H"	44.97116
"636855"	1044.45356	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+2Na-H"	44.97116
"1138173"	378.13196	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2Na-H"	44.97116
"177452"	356.150018	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+2Na"	45.978436
"614458"	522.730418	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+2Na"	45.978436
"1123438"	189.569618	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2Na"	45.978436
"1401498"	126.715504	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H+2Na"	46.985712
"1430445"	380.173546	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H+HCOOH"	47.012746
"221122"	361.18304	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+3H2O+2H"	56.04448
"1510641"	394.22559	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+IsoProp+H"	61.06479
"413243"	364.136988	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+Na+K"	61.952376
"773147"	530.717388	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+Na+K"	61.952376
"1669478"	197.556588	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Na+K"	61.952376
"253444"	730.337368	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+ACN+Na"	64.015768
"1228709"	397.176568	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+ACN+Na"	64.015768
"1715037"	397.200093	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+NH4+HCOOH"	64.039293
"1182950"	134.042818	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+3Na"	68.967654
"1664517"	402.155488	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Na+HCOOH"	68.994688
"172639"	743.24064	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+2K-H"	76.91904
"612766"	1076.40144	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+2K-H"	76.91904
"1099779"	410.07984	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2K-H"	76.91904
"156396"	372.123958	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"2M+2K"	77.926316
"596937"	538.704358	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"3M+2K"	77.926316
"1079978"	205.543558	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2K"	77.926316
"1112702"	412.094392	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2K+H"	78.933592
"1344104"	412.182007	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+DMSO+H"	79.021207
"1014821"	416.221176	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2ACN+H"	83.060376
"1529665"	417.214808	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+IsoProp+Na+H"	84.054008
"1005107"	208.614226	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+2ACN+2H"	84.067652
"1598271"	418.129428	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+K+HCOOH"	84.968628
"1428306"	448.160938	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+H+CF3COOH"	115.000138
"1155312"	229.127501	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+3ACN+2H"	125.094202
"1699396"	465.187485	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+NH4+CF3COOH"	132.026685
"1636142"	470.14288	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+Na+CF3COOH"	136.98208
"1573981"	486.11682	"C11126"	"Tebufenpyrad;1H-Pyrazole-5-carboxamide 4-chloro-N-((4-(11-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-"	"C18H24ClN3O"	"333.1608"	"M+K+CF3COOH"	152.95602
"802525"	295.1088	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M"	0
"980069"	276.09041	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-H2O-H"	-19.01839
"71594"	195.731924	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M-3H"	-3.021828
"503864"	294.101524	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M-3H"	-3.021828
"881298"	97.362324	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-3H"	-3.021828
"599"	294.101524	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M-2H"	-2.014552
"440440"	441.655924	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M-2H"	-2.014552
"819057"	146.547124	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-2H"	-2.014552
"79288"	589.210324	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M-H"	-1.007276
"521526"	884.319124	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M-H"	-1.007276
"896405"	294.101524	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-H"	-1.007276
"47993"	606.236871	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M-2H+NH4"	16.019271
"488034"	901.345671	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M-2H+NH4"	16.019271
"865594"	311.128071	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-2H+NH4"	16.019271
"35324"	611.192266	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M-2H+Na"	20.974666
"475251"	906.301066	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M-2H+Na"	20.974666
"855973"	316.083466	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-2H+Na"	20.974666
"1621860"	316.083466	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Na-2H"	20.974666
"96565"	312.089863	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M-H+Cl"	33.962126
"537222"	459.644263	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M-H+Cl"	33.962126
"929644"	164.535463	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-H+Cl"	33.962126
"270019"	625.187002	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+Cl"	34.969402
"669374"	920.295802	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+Cl"	34.969402
"1281780"	330.078202	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Cl"	34.969402
"19961"	627.166206	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M-2H+K"	36.948606
"468640"	922.275006	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M-2H+K"	36.948606
"848031"	332.057406	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-2H+K"	36.948606
"1569201"	332.057406	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+K-2H"	36.948606
"957944"	340.106994	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-H+HCOOH"	44.998194
"375669"	635.215801	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+HCOOH-H"	44.998201
"356268"	649.231451	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+Hac-H"	59.013851
"1497446"	354.122651	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Hac-H"	59.013851
"967173"	362.088951	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-H+NaCOOH"	66.980151
"116082"	330.078202	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+2Cl"	69.938804
"555641"	477.632602	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+2Cl"	69.938804
"1026625"	182.523802	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2Cl"	69.938804
"1252765"	374.027685	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Br"	78.918885
"1309746"	376.083672	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Cl+HCOOH"	80.974872
"1322869"	398.065629	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Cl+NaCOOH"	102.956829
"912830"	408.094386	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M-H+CF3COOH"	112.985586
"1290151"	444.071064	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Cl+CF3COOH"	148.962264
"1368794"	260.096124	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H-2H2O"	-35.012676
"1384230"	278.1061	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H-H2O"	-17.0027
"283187"	591.224876	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+H"	1.007276
"685700"	886.333676	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+H"	1.007276
"1362049"	296.116076	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H"	1.007276
"135668"	296.116076	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+2H"	2.014552
"576685"	443.670476	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+2H"	2.014552
"1050963"	148.561676	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2H"	2.014552
"217770"	197.746476	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+3H"	3.021828
"658786"	296.116076	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+3H"	3.021828
"1174722"	99.376876	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+3H"	3.021828
"437997"	608.251423	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+NH4"	18.033823
"798630"	903.360223	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+NH4"	18.033823
"1694594"	313.142623	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+NH4"	18.033823
"337038"	304.6293495	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+H+NH4"	19.041099
"729460"	452.1837495	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+H+NH4"	19.041099
"1486561"	157.0749495	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H+NH4"	19.041099
"404512"	613.206818	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+Na"	22.989218
"764050"	908.315618	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+Na"	22.989218
"1613972"	318.098018	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Na"	22.989218
"326558"	307.107047	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+H+Na"	23.996494
"719710"	454.661447	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+H+Na"	23.996494
"1461449"	159.552647	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H+Na"	23.996494
"1053042"	106.70419	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2H+Na"	25.00377
"1257635"	328.142286	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+CH3OH+H"	33.033486
"384122"	629.180758	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+K"	38.963158
"742200"	924.289558	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+K"	38.963158
"1544983"	334.071958	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+K"	38.963158
"302157"	315.094017	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+H+K"	39.970434
"696770"	462.648417	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+H+K"	39.970434
"1452779"	167.539617	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H+K"	39.970434
"242475"	632.251426	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+ACN+H"	42.033826
"1216279"	337.142626	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+ACN+H"	42.033826
"1203443"	169.074951	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+ACN+2H"	43.041102
"198501"	635.18876	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+2Na-H"	44.97116
"636965"	930.29756	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+2Na-H"	44.97116
"1138284"	340.07996	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2Na-H"	44.97116
"177561"	318.098018	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+2Na"	45.978436
"618943"	465.652418	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+2Na"	45.978436
"1123548"	170.543618	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2Na"	45.978436
"1401608"	114.031504	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H+2Na"	46.985712
"1431647"	342.121546	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H+HCOOH"	47.012746
"220502"	323.13104	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+3H2O+2H"	56.04448
"1510751"	356.17359	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+IsoProp+H"	61.06479
"410437"	326.084988	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+Na+K"	61.952376
"773618"	473.639388	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+Na+K"	61.952376
"1665973"	178.530588	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Na+K"	61.952376
"254646"	654.233368	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+ACN+Na"	64.015768
"1226339"	359.124568	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+ACN+Na"	64.015768
"1713484"	359.148093	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+NH4+HCOOH"	64.039293
"1186340"	121.358818	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+3Na"	68.967654
"1664262"	364.103488	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Na+HCOOH"	68.994688
"172463"	667.13664	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+2K-H"	76.91904
"610312"	962.24544	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+2K-H"	76.91904
"1099728"	372.02784	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2K-H"	76.91904
"154926"	334.071958	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"2M+2K"	77.926316
"596191"	481.626358	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"3M+2K"	77.926316
"1080088"	186.517558	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2K"	77.926316
"1113055"	374.042392	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2K+H"	78.933592
"1343121"	374.130007	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+DMSO+H"	79.021207
"1013838"	378.169176	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2ACN+H"	83.060376
"1531962"	379.162808	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+IsoProp+Na+H"	84.054008
"1005459"	189.588226	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+2ACN+2H"	84.067652
"1598381"	380.077428	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+K+HCOOH"	84.968628
"1426228"	410.108938	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+H+CF3COOH"	115.000138
"1154329"	210.101501	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+3ACN+2H"	125.094202
"1702786"	427.135485	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+NH4+CF3COOH"	132.026685
"1636251"	432.09088	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+Na+CF3COOH"	136.98208
"1571902"	448.06482	"C11127"	"Triadimenol"	"C14H18ClN3O2"	"295.1088"	"M+K+CF3COOH"	152.95602
"805550"	439.7562	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M"	0
"977990"	420.73781	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-H2O-H"	-19.01839
"69517"	292.163524	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M-3H"	-3.021828
"506889"	438.748924	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M-3H"	-3.021828
"881165"	145.578124	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-3H"	-3.021828
"954"	438.748924	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M-2H"	-2.014552
"440634"	658.627024	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M-2H"	-2.014552
"818803"	218.870824	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-2H"	-2.014552
"80005"	878.505124	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M-H"	-1.007276
"522365"	1318.261324	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M-H"	-1.007276
"896273"	438.748924	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-H"	-1.007276
"47491"	895.531671	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M-2H+NH4"	16.019271
"487905"	1335.287871	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M-2H+NH4"	16.019271
"864978"	455.775471	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-2H+NH4"	16.019271
"33977"	900.487066	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M-2H+Na"	20.974666
"474268"	1340.243266	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M-2H+Na"	20.974666
"856083"	460.730866	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-2H+Na"	20.974666
"1620513"	460.730866	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Na-2H"	20.974666
"97040"	456.737263	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M-H+Cl"	33.962126
"537332"	676.615363	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M-H+Cl"	33.962126
"930118"	236.859163	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-H+Cl"	33.962126
"269037"	914.481802	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+Cl"	34.969402
"671670"	1354.238002	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+Cl"	34.969402
"1279702"	474.725602	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Cl"	34.969402
"16912"	916.461006	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M-2H+K"	36.948606
"469476"	1356.217206	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M-2H+K"	36.948606
"847646"	476.704806	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-2H+K"	36.948606
"1569676"	476.704806	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+K-2H"	36.948606
"957195"	484.754394	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-H+HCOOH"	44.998194
"376141"	924.510601	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+HCOOH-H"	44.998201
"359293"	938.526251	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+Hac-H"	59.013851
"1495369"	498.770051	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Hac-H"	59.013851
"973115"	506.736351	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-H+NaCOOH"	66.980151
"119470"	474.725602	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+2Cl"	69.938804
"554658"	694.603702	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+2Cl"	69.938804
"1030016"	254.847502	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2Cl"	69.938804
"1247407"	518.675085	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Br"	78.918885
"1316051"	520.731072	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Cl+HCOOH"	80.974872
"1322978"	542.713029	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Cl+NaCOOH"	102.956829
"914034"	552.741786	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M-H+CF3COOH"	112.985586
"1289285"	588.718464	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Cl+CF3COOH"	148.962264
"1367447"	404.743524	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H-2H2O"	-35.012676
"1383243"	422.7535	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H-H2O"	-17.0027
"283131"	880.519676	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+H"	1.007276
"683986"	1320.275876	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+H"	1.007276
"1359241"	440.763476	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H"	1.007276
"134318"	440.763476	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+2H"	2.014552
"578252"	660.641576	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+2H"	2.014552
"1051794"	220.885376	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2H"	2.014552
"219336"	294.178076	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+3H"	3.021828
"659381"	440.763476	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+3H"	3.021828
"1176654"	147.592676	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+3H"	3.021828
"439794"	897.546223	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+NH4"	18.033823
"799101"	1337.302423	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+NH4"	18.033823
"1693244"	457.790023	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+NH4"	18.033823
"338241"	449.2767495	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+H+NH4"	19.041099
"730663"	669.1548495	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+H+NH4"	19.041099
"1486671"	229.3986495	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H+NH4"	19.041099
"404257"	902.501618	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+Na"	22.989218
"766346"	1342.257818	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+Na"	22.989218
"1614447"	462.745418	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Na"	22.989218
"324481"	451.754447	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+H+Na"	23.996494
"720548"	671.632547	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+H+Na"	23.996494
"1462093"	231.876347	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H+Na"	23.996494
"1054127"	154.91999	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2H+Na"	25.00377
"1259087"	472.789686	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+CH3OH+H"	33.033486
"378024"	918.475558	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+K"	38.963158
"744132"	1358.231758	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+K"	38.963158
"1543268"	478.719358	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+K"	38.963158
"302996"	459.741417	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+H+K"	39.970434
"695418"	679.619517	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+H+K"	39.970434
"1452889"	239.863317	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H+K"	39.970434
"243678"	921.546226	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+ACN+H"	42.033826
"1219668"	481.790026	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+ACN+H"	42.033826
"1199177"	241.398651	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+ACN+2H"	43.041102
"199702"	924.48356	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+2Na-H"	44.97116
"637076"	1364.23976	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+2Na-H"	44.97116
"1138394"	484.72736	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2Na-H"	44.97116
"177670"	462.745418	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+2Na"	45.978436
"615041"	682.623518	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+2Na"	45.978436
"1123658"	242.867318	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2Na"	45.978436
"1402811"	162.247304	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H+2Na"	46.985712
"1432730"	486.768946	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H+HCOOH"	47.012746
"222797"	467.77844	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+3H2O+2H"	56.04448
"1511225"	500.82099	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+IsoProp+H"	61.06479
"409128"	470.732388	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+Na+K"	61.952376
"774092"	690.610488	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+Na+K"	61.952376
"1666894"	250.854288	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Na+K"	61.952376
"253295"	943.528168	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+ACN+Na"	64.015768
"1227462"	503.771968	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+ACN+Na"	64.015768
"1714157"	503.795493	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+NH4+HCOOH"	64.039293
"1184264"	169.574618	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+3Na"	68.967654
"1663887"	508.750888	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Na+HCOOH"	68.994688
"172088"	956.43144	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+2K-H"	76.91904
"608236"	1396.18764	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+2K-H"	76.91904
"1097122"	516.67524	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2K-H"	76.91904
"156012"	478.719358	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"2M+2K"	77.926316
"596180"	698.597458	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"3M+2K"	77.926316
"1080198"	258.841258	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2K"	77.926316
"1110127"	518.689792	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2K+H"	78.933592
"1343231"	518.777407	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+DMSO+H"	79.021207
"1013948"	522.816576	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2ACN+H"	83.060376
"1532072"	523.810208	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+IsoProp+Na+H"	84.054008
"1003868"	261.911926	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+2ACN+2H"	84.067652
"1597398"	524.724828	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+K+HCOOH"	84.968628
"1425245"	554.756338	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+H+CF3COOH"	115.000138
"1154439"	282.425201	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+3ACN+2H"	125.094202
"1702896"	571.782885	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+NH4+CF3COOH"	132.026685
"1635268"	576.73828	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+Na+CF3COOH"	136.98208
"1571320"	592.71222	"C11128"	"245-Tribromo-1-(4-chlorobenzoyl)imidazole"	"C10H4Br3ClN2O"	"439.7562"	"M+K+CF3COOH"	152.95602
"802745"	147.032	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M"	0
"975914"	128.01361	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-H2O-H"	-19.01839
"70720"	97.0140573333333	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M-3H"	-3.021828
"503961"	146.024724	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M-3H"	-3.021828
"880790"	48.0033906666667	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-3H"	-3.021828
"458"	146.024724	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M-2H"	-2.014552
"440139"	219.540724	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M-2H"	-2.014552
"817818"	72.508724	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-2H"	-2.014552
"79507"	293.056724	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M-H"	-1.007276
"521382"	440.088724	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M-H"	-1.007276
"896142"	146.024724	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-H"	-1.007276
"47846"	310.083271	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M-2H+NH4"	16.019271
"488258"	457.115271	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M-2H+NH4"	16.019271
"866547"	163.051271	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-2H+NH4"	16.019271
"33722"	315.038666	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M-2H+Na"	20.974666
"474742"	462.070666	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M-2H+Na"	20.974666
"857286"	168.006666	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-2H+Na"	20.974666
"1623538"	168.006666	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Na-2H"	20.974666
"95811"	164.013063	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M-H+Cl"	33.962126
"537441"	237.529063	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M-H+Cl"	33.962126
"929864"	90.497063	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-H+Cl"	33.962126
"269512"	329.033402	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+Cl"	34.969402
"671780"	476.065402	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+Cl"	34.969402
"1279812"	182.001402	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Cl"	34.969402
"17022"	331.012606	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M-2H+K"	36.948606
"469221"	478.044606	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M-2H+K"	36.948606
"847755"	183.980606	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-2H+K"	36.948606
"1570149"	183.980606	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+K-2H"	36.948606
"952202"	192.030194	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-H+HCOOH"	44.998194
"376134"	339.062201	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+HCOOH-H"	44.998201
"356486"	353.077851	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+Hac-H"	59.013851
"1507993"	206.045851	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Hac-H"	59.013851
"973589"	214.012151	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-H+NaCOOH"	66.980151
"119579"	182.001402	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+2Cl"	69.938804
"554766"	255.517402	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+2Cl"	69.938804
"1027939"	108.485402	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2Cl"	69.938804
"1250797"	225.950885	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Br"	78.918885
"1313245"	228.006872	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Cl+HCOOH"	80.974872
"1322357"	249.988829	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Cl+NaCOOH"	102.956829
"913051"	260.017586	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M-H+CF3COOH"	112.985586
"1289031"	295.994264	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Cl+CF3COOH"	148.962264
"1367351"	112.019324	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H-2H2O"	-35.012676
"1384324"	130.0293	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H-H2O"	-17.0027
"285108"	295.071276	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+H"	1.007276
"679719"	442.103276	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+H"	1.007276
"1357164"	148.039276	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H"	1.007276
"132238"	148.039276	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+2H"	2.014552
"571802"	221.555276	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+2H"	2.014552
"1048256"	74.523276	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2H"	2.014552
"212879"	99.0286093333333	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+3H"	3.021828
"657179"	148.039276	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+3H"	3.021828
"1177127"	50.0179426666667	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+3H"	3.021828
"438578"	312.097823	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+NH4"	18.033823
"799578"	459.129823	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+NH4"	18.033823
"1694081"	165.065823	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+NH4"	18.033823
"338348"	156.5525495	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+H+NH4"	19.041099
"732960"	230.0685495	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+H+NH4"	19.041099
"1487875"	83.0365495	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H+NH4"	19.041099
"403273"	317.053218	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+Na"	22.989218
"762082"	464.085218	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+Na"	22.989218
"1615647"	170.021218	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Na"	22.989218
"326778"	159.030247	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+H+Na"	23.996494
"718104"	232.546247	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+H+Na"	23.996494
"1462325"	85.514247	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H+Na"	23.996494
"1054967"	57.3452566666667	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2H+Na"	25.00377
"1261749"	180.065486	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+CH3OH+H"	33.033486
"379229"	333.027158	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+K"	38.963158
"738920"	480.059158	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+K"	38.963158
"1545194"	185.995158	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+K"	38.963158
"302376"	167.017217	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+H+K"	39.970434
"695164"	240.533217	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+H+K"	39.970434
"1450081"	93.501217	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H+K"	39.970434
"243788"	336.097826	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+ACN+H"	42.033826
"1219779"	189.065826	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+ACN+H"	42.033826
"1198558"	95.036551	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+ACN+2H"	43.041102
"198719"	339.03516	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+2Na-H"	44.97116
"637186"	486.06716	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+2Na-H"	44.97116
"1138504"	192.00316	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2Na-H"	44.97116
"176687"	170.021218	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+2Na"	45.978436
"615883"	243.537218	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+2Na"	45.978436
"1121581"	96.505218	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2Na"	45.978436
"1400242"	64.6725706666667	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H+2Na"	46.985712
"1432482"	194.044746	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H+HCOOH"	47.012746
"222179"	175.05424	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+3H2O+2H"	56.04448
"1511699"	208.09679	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+IsoProp+H"	61.06479
"413573"	178.008188	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+Na+K"	61.952376
"772015"	251.524188	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+Na+K"	61.952376
"1666887"	104.492188	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Na+K"	61.952376
"253403"	358.079768	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+ACN+Na"	64.015768
"1227574"	211.047768	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+ACN+Na"	64.015768
"1713416"	211.071293	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+NH4+HCOOH"	64.039293
"1182187"	71.9998846666667	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+3Na"	68.967654
"1664605"	216.026688	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Na+HCOOH"	68.994688
"172560"	370.98304	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+2K-H"	76.91904
"609075"	518.01504	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+2K-H"	76.91904
"1099057"	223.95104	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2K-H"	76.91904
"156609"	185.995158	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"2M+2K"	77.926316
"596529"	259.511158	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"3M+2K"	77.926316
"1080308"	112.479158	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2K"	77.926316
"1110237"	225.965592	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2K+H"	78.933592
"1345528"	226.053207	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+DMSO+H"	79.021207
"1014058"	230.092376	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2ACN+H"	83.060376
"1532182"	231.086008	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+IsoProp+Na+H"	84.054008
"1004099"	115.549826	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+2ACN+2H"	84.067652
"1595321"	232.000628	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+K+HCOOH"	84.968628
"1427178"	262.032138	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+H+CF3COOH"	115.000138
"1156735"	136.063101	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+3ACN+2H"	125.094202
"1706286"	279.058685	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+NH4+CF3COOH"	132.026685
"1635377"	284.01408	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+Na+CF3COOH"	136.98208
"1571314"	299.98802	"C11129"	"Isatin;1H-Indole-23-dione"	"C8H5NO2"	"147.032"	"M+K+CF3COOH"	152.95602
"810146"	149.0477	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M"	0
"976024"	130.02931	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-H2O-H"	-19.01839
"67550"	98.3578573333333	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M-3H"	-3.021828
"503100"	148.040424	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M-3H"	-3.021828
"880537"	48.6752906666667	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-3H"	-3.021828
"361"	148.040424	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M-2H"	-2.014552
"440200"	222.564274	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M-2H"	-2.014552
"819022"	73.516574	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-2H"	-2.014552
"78804"	297.088124	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M-H"	-1.007276
"519542"	446.135824	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M-H"	-1.007276
"897469"	148.040424	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-H"	-1.007276
"48080"	314.114671	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M-2H+NH4"	16.019271
"487676"	463.162371	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M-2H+NH4"	16.019271
"864710"	165.066971	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-2H+NH4"	16.019271
"32615"	319.070066	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M-2H+Na"	20.974666
"473030"	468.117766	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M-2H+Na"	20.974666
"856303"	170.022366	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-2H+Na"	20.974666
"1622555"	170.022366	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Na-2H"	20.974666
"94748"	166.028763	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M-H+Cl"	33.962126
"536093"	240.552613	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M-H+Cl"	33.962126
"929974"	91.504913	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-H+Cl"	33.962126
"268895"	333.064802	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+Cl"	34.969402
"672984"	482.112502	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+Cl"	34.969402
"1279922"	184.017102	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Cl"	34.969402
"18104"	335.044006	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M-2H+K"	36.948606
"469331"	484.091706	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M-2H+K"	36.948606
"847865"	185.996306	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-2H+K"	36.948606
"1569894"	185.996306	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+K-2H"	36.948606
"952312"	194.045894	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-H+HCOOH"	44.998194
"375631"	343.093601	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+HCOOH-H"	44.998201
"356596"	357.109251	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+Hac-H"	59.013851
"1506887"	208.061551	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Hac-H"	59.013851
"965314"	216.027851	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-H+NaCOOH"	66.980151
"115316"	184.017102	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+2Cl"	69.938804
"553784"	258.540952	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+2Cl"	69.938804
"1029143"	109.493252	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2Cl"	69.938804
"1252001"	227.966585	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Br"	78.918885
"1315542"	230.022572	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Cl+HCOOH"	80.974872
"1321010"	252.004529	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Cl+NaCOOH"	102.956829
"914257"	262.033286	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M-H+CF3COOH"	112.985586
"1288777"	298.009964	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Cl+CF3COOH"	148.962264
"1367420"	114.035024	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H-2H2O"	-35.012676
"1384439"	132.045	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H-H2O"	-17.0027
"285218"	299.102676	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+H"	1.007276
"679829"	448.150376	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+H"	1.007276
"1358368"	150.054976	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H"	1.007276
"132348"	150.054976	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+2H"	2.014552
"569725"	224.578826	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+2H"	2.014552
"1038887"	75.531126	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2H"	2.014552
"213717"	100.372409333333	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+3H"	3.021828
"653642"	150.054976	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+3H"	3.021828
"1172496"	50.6898426666667	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+3H"	3.021828
"437471"	316.129223	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+NH4"	18.033823
"799682"	465.176923	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+NH4"	18.033823
"1691271"	167.081523	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+NH4"	18.033823
"337364"	158.5682495	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+H+NH4"	19.041099
"731976"	233.0920995	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+H+NH4"	19.041099
"1480694"	84.0443995	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H+NH4"	19.041099
"400102"	321.084618	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+Na"	22.989218
"762191"	470.132318	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+Na"	22.989218
"1612476"	172.036918	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Na"	22.989218
"326522"	161.045947	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+H+Na"	23.996494
"716027"	235.569797	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+H+Na"	23.996494
"1463652"	86.522097	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H+Na"	23.996494
"1053618"	58.0171566666667	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2H+Na"	25.00377
"1260036"	182.081186	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+CH3OH+H"	33.033486
"377517"	337.058558	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+K"	38.963158
"739969"	486.106258	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+K"	38.963158
"1542024"	188.010858	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+K"	38.963158
"301391"	169.032917	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+H+K"	39.970434
"693087"	243.556767	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+H+K"	39.970434
"1446907"	94.509067	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H+K"	39.970434
"243898"	340.129226	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+ACN+H"	42.033826
"1217701"	191.081526	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+ACN+H"	42.033826
"1202679"	96.044401	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+ACN+2H"	43.041102
"198829"	343.06656	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+2Na-H"	44.97116
"637296"	492.11426	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+2Na-H"	44.97116
"1135333"	194.01886	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2Na-H"	44.97116
"176068"	172.036918	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+2Na"	45.978436
"615261"	246.560768	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+2Na"	45.978436
"1120599"	97.513068	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2Na"	45.978436
"1399382"	65.3444706666667	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H+2Na"	46.985712
"1431251"	196.060446	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H+HCOOH"	47.012746
"221072"	177.06994	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+3H2O+2H"	56.04448
"1509134"	210.11249	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+IsoProp+H"	61.06479
"408944"	180.023888	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+Na+K"	61.952376
"770130"	254.547738	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+Na+K"	61.952376
"1667358"	105.500038	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Na+K"	61.952376
"251851"	362.111168	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+ACN+Na"	64.015768
"1227681"	213.063468	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+ACN+Na"	64.015768
"1713040"	213.086993	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+NH4+HCOOH"	64.039293
"1182297"	72.6717846666667	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+3Na"	68.967654
"1665242"	218.042388	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Na+HCOOH"	68.994688
"172506"	375.01444	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+2K-H"	76.91904
"608821"	524.06214	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+2K-H"	76.91904
"1098802"	225.96674	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2K-H"	76.91904
"156229"	188.010858	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"2M+2K"	77.926316
"596517"	262.534708	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"3M+2K"	77.926316
"1080418"	113.487008	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2K"	77.926316
"1109254"	227.981292	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2K+H"	78.933592
"1344544"	228.068907	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+DMSO+H"	79.021207
"1014168"	232.108076	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2ACN+H"	83.060376
"1532292"	233.101708	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+IsoProp+Na+H"	84.054008
"1003116"	116.557676	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+2ACN+2H"	84.067652
"1595431"	234.016328	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+K+HCOOH"	84.968628
"1425465"	264.047838	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+H+CF3COOH"	115.000138
"1157939"	137.070951	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+3ACN+2H"	125.094202
"1706396"	281.074385	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+NH4+CF3COOH"	132.026685
"1643144"	286.02978	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+Na+CF3COOH"	136.98208
"1577701"	302.00372	"C11130"	"3-Hydroxyindolin-2-one;13-Dihydro-3-hydroxy-2H-indol-2-one;Dioxindole"	"C8H7NO2"	"149.0477"	"M+K+CF3COOH"	152.95602
"811349"	478.2203	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M"	0
"979414"	459.20191	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-H2O-H"	-19.01839
"70940"	317.806257333333	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M-3H"	-3.021828
"506127"	477.213024	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M-3H"	-3.021828
"880234"	158.399490666667	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-3H"	-3.021828
"3595"	477.213024	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M-2H"	-2.014552
"445342"	716.323174	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M-2H"	-2.014552
"824236"	238.102874	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-2H"	-2.014552
"81674"	955.433324	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M-H"	-1.007276
"521599"	1433.653624	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M-H"	-1.007276
"898309"	477.213024	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-H"	-1.007276
"49405"	972.459871	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M-2H+NH4"	16.019271
"487382"	1450.680171	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M-2H+NH4"	16.019271
"865306"	494.239571	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-2H+NH4"	16.019271
"33212"	977.415266	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M-2H+Na"	20.974666
"476419"	1455.635566	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M-2H+Na"	20.974666
"856413"	499.194966	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-2H+Na"	20.974666
"1622665"	499.194966	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Na-2H"	20.974666
"96640"	495.201363	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M-H+Cl"	33.962126
"536567"	734.311513	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M-H+Cl"	33.962126
"929355"	256.091213	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-H+Cl"	33.962126
"269734"	991.410002	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+Cl"	34.969402
"663250"	1469.630302	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+Cl"	34.969402
"1278939"	513.189702	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Cl"	34.969402
"18214"	993.389206	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M-2H+K"	36.948606
"458868"	1471.609506	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M-2H+K"	36.948606
"848334"	515.168906	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-2H+K"	36.948606
"1570735"	515.168906	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+K-2H"	36.948606
"952422"	523.218494	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-H+HCOOH"	44.998194
"374647"	1001.438801	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+HCOOH-H"	44.998201
"356706"	1015.454451	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+Hac-H"	59.013851
"1505903"	537.234151	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Hac-H"	59.013851
"972715"	545.200451	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-H+NaCOOH"	66.980151
"113239"	513.189702	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+2Cl"	69.938804
"552800"	752.299852	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+2Cl"	69.938804
"1025973"	274.079552	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2Cl"	69.938804
"1249924"	557.139185	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Br"	78.918885
"1316746"	559.195172	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Cl+HCOOH"	80.974872
"1323308"	581.177129	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Cl+NaCOOH"	102.956829
"914367"	591.205886	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M-H+CF3COOH"	112.985586
"1288562"	627.182564	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Cl+CF3COOH"	148.962264
"1367412"	443.207624	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H-2H2O"	-35.012676
"1385642"	461.2176	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H-H2O"	-17.0027
"285327"	957.447876	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+H"	1.007276
"679939"	1435.668176	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+H"	1.007276
"1355197"	479.227576	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H"	1.007276
"130272"	479.227576	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+2H"	2.014552
"569835"	718.337726	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+2H"	2.014552
"1039727"	240.117426	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2H"	2.014552
"209818"	319.820809333333	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+3H"	3.021828
"653751"	479.227576	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+3H"	3.021828
"1170784"	160.414042666667	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+3H"	3.021828
"434056"	974.474423	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+NH4"	18.033823
"798700"	1452.694723	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+NH4"	18.033823
"1687009"	496.254123	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+NH4"	18.033823
"335288"	487.7408495	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+H+NH4"	19.041099
"730991"	726.8509995	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+H+NH4"	19.041099
"1482627"	248.6306995	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H+NH4"	19.041099
"401305"	979.429818	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+Na"	22.989218
"763394"	1457.650118	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+Na"	22.989218
"1610399"	501.209518	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Na"	22.989218
"321529"	490.218547	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+H+Na"	23.996494
"717230"	729.328697	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+H+Na"	23.996494
"1461608"	251.108397	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H+Na"	23.996494
"1054091"	167.741356666667	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2H+Na"	25.00377
"1262698"	511.253786	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+CH3OH+H"	33.033486
"380179"	995.403758	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+K"	38.963158
"742267"	1473.624058	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+K"	38.963158
"1541404"	517.183458	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+K"	38.963158
"298949"	498.205517	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+H+K"	39.970434
"691387"	737.315667	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+H+K"	39.970434
"1447384"	259.095367	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H+K"	39.970434
"242915"	998.474426	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+ACN+H"	42.033826
"1217811"	520.254126	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+ACN+H"	42.033826
"1202789"	260.630701	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+ACN+2H"	43.041102
"200032"	1001.41176	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+2Na-H"	44.97116
"638499"	1479.63206	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+2Na-H"	44.97116
"1140910"	523.19146	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2Na-H"	44.97116
"176544"	501.209518	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+2Na"	45.978436
"615860"	740.319668	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+2Na"	45.978436
"1120709"	262.099368	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2Na"	45.978436
"1404232"	175.068670666667	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H+2Na"	46.985712
"1431002"	525.233046	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H+HCOOH"	47.012746
"220289"	506.24254	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+3H2O+2H"	56.04448
"1509003"	539.28509	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+IsoProp+H"	61.06479
"409418"	509.196488	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+Na+K"	61.952376
"771498"	748.306638	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+Na+K"	61.952376
"1668561"	270.086338	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Na+K"	61.952376
"253988"	1020.456368	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+ACN+Na"	64.015768
"1227427"	542.236068	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+ACN+Na"	64.015768
"1713311"	542.259593	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+NH4+HCOOH"	64.039293
"1185687"	182.395984666667	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+3Na"	68.967654
"1662150"	547.214988	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Na+HCOOH"	68.994688
"170102"	1033.35964	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+2K-H"	76.91904
"609295"	1511.57994	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+2K-H"	76.91904
"1096360"	555.13934	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2K-H"	76.91904
"156096"	517.183458	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"2M+2K"	77.926316
"593833"	756.293608	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"3M+2K"	77.926316
"1078341"	278.073308	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2K"	77.926316
"1109364"	557.153892	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2K+H"	78.933592
"1345748"	557.241507	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+DMSO+H"	79.021207
"1014278"	561.280676	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2ACN+H"	83.060376
"1534587"	562.274308	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+IsoProp+Na+H"	84.054008
"1003226"	281.143976	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+2ACN+2H"	84.067652
"1596634"	563.188928	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+K+HCOOH"	84.968628
"1425574"	593.220438	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+H+CF3COOH"	115.000138
"1151489"	301.657251	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+3ACN+2H"	125.094202
"1702133"	610.246985	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+NH4+CF3COOH"	132.026685
"1643254"	615.20238	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+Na+CF3COOH"	136.98208
"1577811"	631.17632	"C11131"	"2-Methoxy-estradiol-17beta 3-glucuronide"	"C25H34O9"	"478.2203"	"M+K+CF3COOH"	152.95602
"810366"	476.2046	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M"	0
"984994"	457.18621	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-H2O-H"	-19.01839
"71050"	316.462457333333	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M-3H"	-3.021828
"503483"	475.197324	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M-3H"	-3.021828
"881486"	157.727590666667	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-3H"	-3.021828
"1884"	475.197324	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M-2H"	-2.014552
"443630"	713.299624	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M-2H"	-2.014552
"820337"	237.095024	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-2H"	-2.014552
"81052"	951.401924	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M-H"	-1.007276
"520613"	1427.606524	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M-H"	-1.007276
"898418"	475.197324	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-H"	-1.007276
"49152"	968.428471	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M-2H+NH4"	16.019271
"487977"	1444.633071	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M-2H+NH4"	16.019271
"866147"	492.223871	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-2H+NH4"	16.019271
"34781"	973.383866	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M-2H+Na"	20.974666
"476529"	1449.588466	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M-2H+Na"	20.974666
"856523"	497.179266	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-2H+Na"	20.974666
"1623868"	497.179266	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Na-2H"	20.974666
"99305"	493.185663	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M-H+Cl"	33.962126
"536679"	731.287963	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M-H+Cl"	33.962126
"928732"	255.083363	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-H+Cl"	33.962126
"270937"	987.378602	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+Cl"	34.969402
"662509"	1463.583202	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+Cl"	34.969402
"1275767"	511.174002	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Cl"	34.969402
"17350"	989.357806	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M-2H+K"	36.948606
"458978"	1465.562406	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M-2H+K"	36.948606
"847725"	513.153206	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-2H+K"	36.948606
"1569021"	513.153206	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+K-2H"	36.948606
"957640"	521.202794	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-H+HCOOH"	44.998194
"376587"	997.407401	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+HCOOH-H"	44.998201
"360713"	1011.423051	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+Hac-H"	59.013851
"1507107"	535.218451	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Hac-H"	59.013851
"964441"	543.184751	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-H+NaCOOH"	66.980151
"116629"	511.174002	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+2Cl"	69.938804
"561657"	749.276302	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+2Cl"	69.938804
"1032643"	273.071702	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2Cl"	69.938804
"1246755"	555.123485	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Br"	78.918885
"1313575"	557.179472	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Cl+HCOOH"	80.974872
"1323417"	579.161429	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Cl+NaCOOH"	102.956829
"922129"	589.190186	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M-H+CF3COOH"	112.985586
"1290091"	625.166864	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Cl+CF3COOH"	148.962264
"1367526"	441.191924	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H-2H2O"	-35.012676
"1390127"	459.2019	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H-H2O"	-17.0027
"288721"	953.416476	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+H"	1.007276
"680049"	1429.621076	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+H"	1.007276
"1354211"	477.211876	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H"	1.007276
"129287"	477.211876	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+2H"	2.014552
"569945"	715.314176	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+2H"	2.014552
"1039837"	239.109576	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2H"	2.014552
"212113"	318.477009333333	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+3H"	3.021828
"653861"	477.211876	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+3H"	3.021828
"1171987"	159.742142666667	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+3H"	3.021828
"430885"	970.443023	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+NH4"	18.033823
"798078"	1446.647623	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+NH4"	18.033823
"1684567"	494.238423	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+NH4"	18.033823
"332482"	485.7251495	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+H+NH4"	19.041099
"727823"	723.8274495	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+H+NH4"	19.041099
"1482372"	247.6228495	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H+NH4"	19.041099
"394003"	975.398418	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+Na"	22.989218
"759132"	1451.603018	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+Na"	22.989218
"1611604"	499.193818	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Na"	22.989218
"323827"	488.202847	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+H+Na"	23.996494
"716248"	726.305147	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+H+Na"	23.996494
"1461797"	250.100547	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H+Na"	23.996494
"1053957"	167.069456666667	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2H+Na"	25.00377
"1264995"	509.238086	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+CH3OH+H"	33.033486
"381383"	991.372358	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+K"	38.963158
"740919"	1467.576958	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+K"	38.963158
"1541878"	515.167758	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+K"	38.963158
"299061"	496.189817	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+H+K"	39.970434
"692215"	734.292117	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+H+K"	39.970434
"1448588"	258.087517	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H+K"	39.970434
"246305"	994.443026	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+ACN+H"	42.033826
"1220108"	518.238426	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+ACN+H"	42.033826
"1203993"	259.622851	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+ACN+2H"	43.041102
"200143"	997.38036	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+2Na-H"	44.97116
"637515"	1473.58496	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+2Na-H"	44.97116
"1137739"	521.17576	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2Na-H"	44.97116
"175925"	499.193818	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+2Na"	45.978436
"615241"	737.296118	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+2Na"	45.978436
"1118630"	261.091518	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2Na"	45.978436
"1405435"	174.396770666667	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H+2Na"	46.985712
"1429946"	523.217346	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H+HCOOH"	47.012746
"220033"	504.22684	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+3H2O+2H"	56.04448
"1509149"	537.26939	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+IsoProp+H"	61.06479
"409403"	507.180788	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+Na+K"	61.952376
"770523"	745.283088	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+Na+K"	61.952376
"1667213"	269.078488	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Na+K"	61.952376
"253005"	1016.424968	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+ACN+Na"	64.015768
"1226443"	540.220368	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+ACN+Na"	64.015768
"1713505"	540.243893	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+NH4+HCOOH"	64.039293
"1189078"	181.724084666667	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+3Na"	68.967654
"1664326"	545.199288	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Na+HCOOH"	68.994688
"171307"	1029.32824	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+2K-H"	76.91904
"612205"	1505.53284	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+2K-H"	76.91904
"1099024"	553.12364	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2K-H"	76.91904
"156982"	515.167758	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"2M+2K"	77.926316
"595036"	753.270058	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"3M+2K"	77.926316
"1081733"	277.065458	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2K"	77.926316
"1109474"	555.138192	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2K+H"	78.933592
"1346952"	555.225807	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+DMSO+H"	79.021207
"1016575"	559.264976	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2ACN+H"	83.060376
"1534698"	560.258608	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+IsoProp+Na+H"	84.054008
"1002242"	280.136126	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+2ACN+2H"	84.067652
"1600024"	561.173228	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+K+HCOOH"	84.968628
"1424591"	591.204738	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+H+CF3COOH"	115.000138
"1154879"	300.649401	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+3ACN+2H"	125.094202
"1702243"	608.231285	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+NH4+CF3COOH"	132.026685
"1634734"	613.18668	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+Na+CF3COOH"	136.98208
"1575734"	629.16062	"C11132"	"2-Methoxyestrone 3-glucuronide"	"C25H32O9"	"476.2046"	"M+K+CF3COOH"	152.95602
"810477"	446.1941	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M"	0
"976354"	427.17571	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-H2O-H"	-19.01839
"76627"	296.455457333333	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M-3H"	-3.021828
"512909"	445.186824	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M-3H"	-3.021828
"889615"	147.724090666667	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-3H"	-3.021828
"2723"	445.186824	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M-2H"	-2.014552
"443376"	668.283874	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M-2H"	-2.014552
"826644"	222.089774	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-2H"	-2.014552
"80438"	891.380924	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M-H"	-1.007276
"520001"	1337.575024	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M-H"	-1.007276
"898895"	445.186824	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-H"	-1.007276
"49262"	908.407471	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M-2H+NH4"	16.019271
"488451"	1354.601571	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M-2H+NH4"	16.019271
"869182"	462.213371	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-2H+NH4"	16.019271
"38177"	913.362866	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M-2H+Na"	20.974666
"478832"	1359.556966	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M-2H+Na"	20.974666
"856635"	467.168766	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-2H+Na"	20.974666
"1628355"	467.168766	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Na-2H"	20.974666
"99416"	463.175163	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M-H+Cl"	33.962126
"535696"	686.272213	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M-H+Cl"	33.962126
"928843"	240.078113	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-H+Cl"	33.962126
"280651"	927.357602	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+Cl"	34.969402
"666755"	1373.551702	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+Cl"	34.969402
"1275023"	481.163502	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Cl"	34.969402
"18431"	929.336806	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M-2H+K"	36.948606
"459088"	1375.530906	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M-2H+K"	36.948606
"847472"	483.142706	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-2H+K"	36.948606
"1570468"	483.142706	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+K-2H"	36.948606
"957632"	491.192294	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-H+HCOOH"	44.998194
"376330"	937.386401	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+HCOOH-H"	44.998201
"354740"	951.402051	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+Hac-H"	59.013851
"1506367"	505.207951	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Hac-H"	59.013851
"968924"	513.174251	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-H+NaCOOH"	66.980151
"124393"	481.163502	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+2Cl"	69.938804
"561766"	704.260552	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+2Cl"	69.938804
"1032753"	258.066452	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2Cl"	69.938804
"1251237"	525.112985	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Br"	78.918885
"1307126"	527.168972	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Cl+HCOOH"	80.974872
"1324621"	549.150929	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Cl+NaCOOH"	102.956829
"913492"	559.179686	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M-H+CF3COOH"	112.985586
"1292389"	595.156364	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Cl+CF3COOH"	148.962264
"1370552"	411.181424	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H-2H2O"	-35.012676
"1394246"	429.1914	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H-H2O"	-17.0027
"288830"	893.395476	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+H"	1.007276
"681253"	1339.589576	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+H"	1.007276
"1355048"	447.201376	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H"	1.007276
"130491"	447.201376	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+2H"	2.014552
"571148"	670.298426	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+2H"	2.014552
"1042134"	224.104326	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2H"	2.014552
"212224"	298.470009333333	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+3H"	3.021828
"649596"	447.201376	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+3H"	3.021828
"1168817"	149.738642666667	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+3H"	3.021828
"429903"	910.422023	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+NH4"	18.033823
"790897"	1356.616123	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+NH4"	18.033823
"1687227"	464.227923	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+NH4"	18.033823
"334419"	455.7146495	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+H+NH4"	19.041099
"731215"	678.8116995	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+H+NH4"	19.041099
"1479929"	232.6175995	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H+NH4"	19.041099
"399338"	915.377418	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+Na"	22.989218
"757419"	1361.571518	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+Na"	22.989218
"1611715"	469.183318	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Na"	22.989218
"321752"	458.192347	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+H+Na"	23.996494
"711985"	681.289397	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+H+Na"	23.996494
"1461911"	235.095297	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H+Na"	23.996494
"1056134"	157.065956666667	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2H+Na"	25.00377
"1265106"	479.227586	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+CH3OH+H"	33.033486
"381493"	931.351358	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+K"	38.963158
"742488"	1377.545458	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+K"	38.963158
"1542354"	485.157258	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+K"	38.963158
"300627"	466.179317	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+H+K"	39.970434
"692687"	689.276367	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+H+K"	39.970434
"1451249"	243.082267	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H+K"	39.970434
"246415"	934.422026	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+ACN+H"	42.033826
"1221311"	488.227926	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+ACN+H"	42.033826
"1205196"	244.617601	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+ACN+2H"	43.041102
"200253"	937.35936	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+2Na-H"	44.97116
"637625"	1383.55346	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+2Na-H"	44.97116
"1140036"	491.16526	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2Na-H"	44.97116
"177858"	469.183318	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+2Na"	45.978436
"621792"	692.280368	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+2Na"	45.978436
"1116307"	246.086268	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2Na"	45.978436
"1404452"	164.393270666667	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H+2Na"	46.985712
"1431103"	493.206846	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H+HCOOH"	47.012746
"221893"	474.21634	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+3H2O+2H"	56.04448
"1508980"	507.25889	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+IsoProp+H"	61.06479
"410002"	477.170288	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+Na+K"	61.952376
"773185"	700.267338	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+Na+K"	61.952376
"1666964"	254.073238	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Na+K"	61.952376
"252385"	956.403968	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+ACN+Na"	64.015768
"1227285"	510.209868	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+ACN+Na"	64.015768
"1714346"	510.233393	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+NH4+HCOOH"	64.039293
"1189188"	171.720584666667	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+3Na"	68.967654
"1664557"	515.188788	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Na+HCOOH"	68.994688
"170325"	969.30724	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+2K-H"	76.91904
"608791"	1415.50134	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+2K-H"	76.91904
"1098404"	523.11314	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2K-H"	76.91904
"156892"	485.157258	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"2M+2K"	77.926316
"595025"	708.254308	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"3M+2K"	77.926316
"1082940"	262.060208	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2K"	77.926316
"1113957"	525.127692	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2K+H"	78.933592
"1350833"	525.215307	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+DMSO+H"	79.021207
"1021257"	529.254476	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2ACN+H"	83.060376
"1535903"	530.248108	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+IsoProp+Na+H"	84.054008
"1002352"	265.130876	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+2ACN+2H"	84.067652
"1600135"	531.162728	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+K+HCOOH"	84.968628
"1428714"	561.194238	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+H+CF3COOH"	115.000138
"1161189"	285.644151	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+3ACN+2H"	125.094202
"1705634"	578.220785	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+NH4+CF3COOH"	132.026685
"1641283"	583.17618	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+Na+CF3COOH"	136.98208
"1578031"	599.15012	"C11133"	"Estrone glucuronide;Estrone 3-glucuronide;Estrone beta-D-glucuronide"	"C24H30O8"	"446.1941"	"M+K+CF3COOH"	152.95602
"805118"	464.241	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M"	0
"978651"	445.22261	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-H2O-H"	-19.01839
"73458"	308.486724	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M-3H"	-3.021828
"504635"	463.233724	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M-3H"	-3.021828
"885352"	153.739724	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-3H"	-3.021828
"7207"	463.233724	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M-2H"	-2.014552
"442028"	695.354224	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M-2H"	-2.014552
"819099"	231.113224	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-2H"	-2.014552
"80912"	927.474724	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M-H"	-1.007276
"521566"	1391.715724	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M-H"	-1.007276
"897544"	463.233724	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-H"	-1.007276
"49127"	944.501271	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M-2H+NH4"	16.019271
"488684"	1408.742271	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M-2H+NH4"	16.019271
"865512"	480.260271	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-2H+NH4"	16.019271
"36096"	949.456666	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M-2H+Na"	20.974666
"480035"	1413.697666	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M-2H+Na"	20.974666
"856744"	485.215666	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-2H+Na"	20.974666
"1630652"	485.215666	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Na-2H"	20.974666
"100619"	481.222063	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M-H+Cl"	33.962126
"537263"	713.342563	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M-H+Cl"	33.962126
"928953"	249.101563	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-H+Cl"	33.962126
"281003"	963.451402	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+Cl"	34.969402
"666865"	1427.692402	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+Cl"	34.969402
"1277806"	499.210402	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Cl"	34.969402
"19634"	965.430606	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M-2H+K"	36.948606
"460291"	1429.671606	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M-2H+K"	36.948606
"848189"	501.189606	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-2H+K"	36.948606
"1571147"	501.189606	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+K-2H"	36.948606
"957618"	509.239194	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-H+HCOOH"	44.998194
"376791"	973.480201	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+HCOOH-H"	44.998201
"354850"	987.495851	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+Hac-H"	59.013851
"1507449"	523.254851	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Hac-H"	59.013851
"970127"	531.221151	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-H+NaCOOH"	66.980151
"122315"	499.210402	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+2Cl"	69.938804
"561876"	731.330902	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+2Cl"	69.938804
"1027395"	267.089902	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2Cl"	69.938804
"1249160"	543.159885	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Br"	78.918885
"1307236"	545.215872	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Cl+HCOOH"	80.974872
"1322544"	567.197829	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Cl+NaCOOH"	102.956829
"913602"	577.226586	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M-H+CF3COOH"	112.985586
"1291770"	613.203264	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Cl+CF3COOH"	148.962264
"1371754"	429.228324	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H-2H2O"	-35.012676
"1391440"	447.2383	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H-H2O"	-17.0027
"288939"	929.489276	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+H"	1.007276
"683549"	1393.730276	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+H"	1.007276
"1355158"	465.248276	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H"	1.007276
"129508"	465.248276	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+2H"	2.014552
"569072"	697.368776	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+2H"	2.014552
"1040782"	233.127776	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2H"	2.014552
"212334"	310.501276	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+3H"	3.021828
"649706"	465.248276	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+3H"	3.021828
"1172206"	155.754276	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+3H"	3.021828
"431107"	946.515823	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+NH4"	18.033823
"791007"	1410.756823	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+NH4"	18.033823
"1688430"	482.274823	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+NH4"	18.033823
"333434"	473.7615495	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+H+NH4"	19.041099
"725126"	705.8820495	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+H+NH4"	19.041099
"1480403"	241.6410495	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H+NH4"	19.041099
"397260"	951.471218	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+Na"	22.989218
"756431"	1415.712218	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+Na"	22.989218
"1605260"	487.230218	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Na"	22.989218
"318576"	476.239247	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+H+Na"	23.996494
"709177"	708.359747	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+H+Na"	23.996494
"1461897"	244.118747	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H+Na"	23.996494
"1053561"	163.08159	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2H+Na"	25.00377
"1265216"	497.274486	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+CH3OH+H"	33.033486
"381967"	967.445158	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+K"	38.963158
"743691"	1431.686158	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+K"	38.963158
"1543922"	503.204158	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+K"	38.963158
"302196"	484.226217	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+H+K"	39.970434
"696442"	716.346717	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+H+K"	39.970434
"1449172"	252.105717	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H+K"	39.970434
"246525"	970.515826	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+ACN+H"	42.033826
"1224700"	506.274826	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+ACN+H"	42.033826
"1207492"	253.641051	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+ACN+2H"	43.041102
"199268"	973.45316	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+2Na-H"	44.97116
"639921"	1437.69416	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+2Na-H"	44.97116
"1139052"	509.21216	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2Na-H"	44.97116
"177968"	487.230218	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+2Na"	45.978436
"620809"	719.350718	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+2Na"	45.978436
"1117147"	255.109718	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2Na"	45.978436
"1403468"	170.408904	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H+2Na"	46.985712
"1432306"	511.253746	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H+HCOOH"	47.012746
"222003"	492.26324	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+3H2O+2H"	56.04448
"1510061"	525.30579	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+IsoProp+H"	61.06479
"413028"	495.217188	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+Na+K"	61.952376
"776211"	727.337688	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+Na+K"	61.952376
"1666831"	263.096688	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Na+K"	61.952376
"252250"	992.497768	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+ACN+Na"	64.015768
"1228491"	528.256768	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+ACN+Na"	64.015768
"1714213"	528.280293	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+NH4+HCOOH"	64.039293
"1189298"	177.736218	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+3Na"	68.967654
"1665154"	533.235688	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Na+HCOOH"	68.994688
"171529"	1005.40104	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+2K-H"	76.91904
"611695"	1469.64204	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+2K-H"	76.91904
"1097782"	541.16004	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2K-H"	76.91904
"155697"	503.204158	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"2M+2K"	77.926316
"594159"	735.324658	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"3M+2K"	77.926316
"1083943"	271.083658	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2K"	77.926316
"1113825"	543.174592	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2K+H"	78.933592
"1347170"	543.262207	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+DMSO+H"	79.021207
"1019953"	547.301376	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2ACN+H"	83.060376
"1536011"	548.295008	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+IsoProp+Na+H"	84.054008
"999180"	274.154326	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+2ACN+2H"	84.067652
"1598058"	549.209628	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+K+HCOOH"	84.968628
"1426998"	579.241138	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+H+CF3COOH"	115.000138
"1160566"	294.667601	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+3ACN+2H"	125.094202
"1703557"	596.267685	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+NH4+CF3COOH"	132.026685
"1641393"	601.22308	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+Na+CF3COOH"	136.98208
"1578141"	617.19702	"C11134"	"Testosterone glucuronide;Testosterone 17beta-(beta-D-glucuronide)"	"C25H36O8"	"464.241"	"M+K+CF3COOH"	152.95602
"802312"	466.2567	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M"	0
"976574"	447.23831	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H2O-H"	-19.01839
"73568"	309.830524	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-3H"	-3.021828
"503051"	465.249424	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-3H"	-3.021828
"885462"	154.411624	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-3H"	-3.021828
"7317"	465.249424	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H"	-2.014552
"441045"	698.377774	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H"	-2.014552
"818481"	232.121074	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H"	-2.014552
"80293"	931.506124	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-H"	-1.007276
"520217"	1397.762824	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-H"	-1.007276
"896561"	465.249424	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H"	-1.007276
"48749"	948.532671	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H+NH4"	16.019271
"488309"	1414.789371	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H+NH4"	16.019271
"865019"	482.275971	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H+NH4"	16.019271
"32920"	953.488066	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H+Na"	20.974666
"475402"	1419.744766	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H+Na"	20.974666
"855759"	487.231366	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H+Na"	20.974666
"1623106"	487.231366	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na-2H"	20.974666
"100729"	483.237763	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-H+Cl"	33.962126
"538102"	716.366113	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-H+Cl"	33.962126
"934897"	250.109413	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+Cl"	33.962126
"278926"	967.482802	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Cl"	34.969402
"666970"	1433.739502	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+Cl"	34.969402
"1275365"	501.226102	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl"	34.969402
"16704"	969.462006	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H+K"	36.948606
"461494"	1435.718706	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H+K"	36.948606
"844767"	503.205306	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H+K"	36.948606
"1564973"	503.205306	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K-2H"	36.948606
"957238"	511.254894	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+HCOOH"	44.998194
"376514"	977.511601	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+HCOOH-H"	44.998201
"358242"	991.527251	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Hac-H"	59.013851
"1504886"	525.270551	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Hac-H"	59.013851
"966958"	533.236851	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+NaCOOH"	66.980151
"118053"	501.226102	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2Cl"	69.938804
"561622"	734.354452	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2Cl"	69.938804
"1030786"	268.097752	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2Cl"	69.938804
"1252550"	545.175585	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Br"	78.918885
"1307346"	547.231572	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl+HCOOH"	80.974872
"1322654"	569.213529	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl+NaCOOH"	102.956829
"914805"	579.242286	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+CF3COOH"	112.985586
"1289691"	615.218964	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl+CF3COOH"	148.962264
"1370772"	431.244024	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H-2H2O"	-35.012676
"1388268"	449.254	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H-H2O"	-17.0027
"292329"	933.520676	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H"	1.007276
"681471"	1399.777376	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H"	1.007276
"1355635"	467.263976	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H"	1.007276
"129620"	467.263976	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2H"	2.014552
"569178"	700.392326	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2H"	2.014552
"1039434"	234.135626	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2H"	2.014552
"212443"	311.845076	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+3H"	3.021828
"648722"	467.263976	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+3H"	3.021828
"1169033"	156.426176	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+3H"	3.021828
"427936"	950.547223	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+NH4"	18.033823
"789294"	1416.803923	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+NH4"	18.033823
"1686353"	484.290523	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+NH4"	18.033823
"333543"	475.7772495	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H+NH4"	19.041099
"725601"	708.9055995	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H+NH4"	19.041099
"1479785"	242.6488995	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+NH4"	19.041099
"395910"	955.502618	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Na"	22.989218
"755446"	1421.759318	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+Na"	22.989218
"1603423"	489.245918	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na"	22.989218
"315770"	478.254947	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H+Na"	23.996494
"708435"	711.383297	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H+Na"	23.996494
"1461432"	245.126597	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+Na"	23.996494
"1052947"	163.75349	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2H+Na"	25.00377
"1262049"	499.290186	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+CH3OH+H"	33.033486
"380984"	971.476558	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+K"	38.963158
"744897"	1437.733258	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+K"	38.963158
"1540873"	505.219858	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K"	38.963158
"301578"	486.241917	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H+K"	39.970434
"694730"	719.370267	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H+K"	39.970434
"1449282"	253.113567	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+K"	39.970434
"248457"	974.547226	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+ACN+H"	42.033826
"1224082"	508.290526	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+ACN+H"	42.033826
"1207967"	254.648901	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+ACN+2H"	43.041102
"203028"	977.48456	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2Na-H"	44.97116
"640032"	1443.74126	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2Na-H"	44.97116
"1142443"	511.22786	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2Na-H"	44.97116
"178078"	489.245918	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2Na"	45.978436
"622012"	722.374268	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2Na"	45.978436
"1122240"	256.117568	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2Na"	45.978436
"1402484"	171.080804	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+2Na"	46.985712
"1433509"	513.269446	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+HCOOH"	47.012746
"223206"	494.27894	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+3H2O+2H"	56.04448
"1514547"	527.32149	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+IsoProp+H"	61.06479
"415324"	497.232888	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Na+K"	61.952376
"771946"	730.361238	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+Na+K"	61.952376
"1668643"	264.104538	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na+K"	61.952376
"252002"	996.529168	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+ACN+Na"	64.015768
"1232246"	530.272468	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+ACN+Na"	64.015768
"1717851"	530.295993	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+NH4+HCOOH"	64.039293
"1189408"	178.408118	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+3Na"	68.967654
"1663683"	535.251388	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na+HCOOH"	68.994688
"171880"	1009.43244	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2K-H"	76.91904
"612657"	1475.68914	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2K-H"	76.91904
"1098743"	543.17574	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2K-H"	76.91904
"156908"	505.219858	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2K"	77.926316
"594269"	738.348208	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2K"	77.926316
"1083932"	272.091508	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2K"	77.926316
"1115246"	545.190292	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2K+H"	78.933592
"1350972"	545.277907	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+DMSO+H"	79.021207
"1020063"	549.317076	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2ACN+H"	83.060376
"1536121"	550.310708	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+IsoProp+Na+H"	84.054008
"999290"	275.162176	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2ACN+2H"	84.067652
"1598168"	551.225328	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K+HCOOH"	84.968628
"1427108"	581.256838	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+CF3COOH"	115.000138
"1158489"	295.675451	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+3ACN+2H"	125.094202
"1703667"	598.283385	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+NH4+CF3COOH"	132.026685
"1641503"	603.23878	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na+CF3COOH"	136.98208
"1578251"	619.21272	"C11135"	"Androsterone glucuronide;Androsterone 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K+CF3COOH"	152.95602
"810806"	466.2567	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M"	0
"978872"	447.23831	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H2O-H"	-19.01839
"72584"	309.830524	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-3H"	-3.021828
"508864"	465.249424	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-3H"	-3.021828
"891037"	154.411624	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-3H"	-3.021828
"9614"	465.249424	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H"	-2.014552
"441519"	698.377774	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H"	-2.014552
"817740"	232.121074	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H"	-2.014552
"81496"	931.506124	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-H"	-1.007276
"525432"	1397.762824	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-H"	-1.007276
"898859"	465.249424	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H"	-1.007276
"48856"	948.532671	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H+NH4"	16.019271
"488783"	1414.789371	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H+NH4"	16.019271
"867314"	482.275971	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H+NH4"	16.019271
"35215"	953.488066	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H+Na"	20.974666
"475879"	1419.744766	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H+Na"	20.974666
"855870"	487.231366	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H+Na"	20.974666
"1628684"	487.231366	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na-2H"	20.974666
"96466"	483.237763	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-H+Cl"	33.962126
"536026"	716.366113	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-H+Cl"	33.962126
"930635"	250.109413	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+Cl"	33.962126
"277943"	967.482802	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Cl"	34.969402
"665987"	1433.739502	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+Cl"	34.969402
"1274382"	501.226102	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl"	34.969402
"17180"	969.462006	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M-2H+K"	36.948606
"461604"	1435.718706	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M-2H+K"	36.948606
"844876"	503.205306	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-2H+K"	36.948606
"1563989"	503.205306	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K-2H"	36.948606
"958089"	511.254894	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+HCOOH"	44.998194
"376298"	977.511601	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+HCOOH-H"	44.998201
"358352"	991.527251	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Hac-H"	59.013851
"1504996"	525.270551	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Hac-H"	59.013851
"967068"	533.236851	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+NaCOOH"	66.980151
"118162"	501.226102	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2Cl"	69.938804
"560639"	734.354452	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2Cl"	69.938804
"1031989"	268.097752	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2Cl"	69.938804
"1250474"	545.175585	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Br"	78.918885
"1307455"	547.231572	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl+HCOOH"	80.974872
"1320005"	569.213529	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl+NaCOOH"	102.956829
"912121"	579.242286	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M-H+CF3COOH"	112.985586
"1289560"	615.218964	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Cl+CF3COOH"	148.962264
"1370882"	431.244024	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H-2H2O"	-35.012676
"1388378"	449.254	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H-H2O"	-17.0027
"291346"	933.520676	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H"	1.007276
"681582"	1399.777376	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H"	1.007276
"1355745"	467.263976	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H"	1.007276
"129001"	467.263976	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2H"	2.014552
"568195"	700.392326	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2H"	2.014552
"1040273"	234.135626	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2H"	2.014552
"212553"	311.845076	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+3H"	3.021828
"647010"	467.263976	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+3H"	3.021828
"1164406"	156.426176	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+3H"	3.021828
"430234"	950.547223	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+NH4"	18.033823
"789040"	1416.803923	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+NH4"	18.033823
"1684277"	484.290523	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+NH4"	18.033823
"332560"	475.7772495	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H+NH4"	19.041099
"725711"	708.9055995	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H+NH4"	19.041099
"1478802"	242.6488995	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+NH4"	19.041099
"393145"	955.502618	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Na"	22.989218
"754391"	1421.759318	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+Na"	22.989218
"1602967"	489.245918	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na"	22.989218
"314908"	478.254947	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H+Na"	23.996494
"707492"	711.383297	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H+Na"	23.996494
"1462115"	245.126597	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+Na"	23.996494
"1052772"	163.75349	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2H+Na"	25.00377
"1259970"	499.290186	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+CH3OH+H"	33.033486
"380730"	971.476558	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+K"	38.963158
"745007"	1437.733258	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+K"	38.963158
"1540864"	505.219858	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K"	38.963158
"301689"	486.241917	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+H+K"	39.970434
"693383"	719.370267	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+H+K"	39.970434
"1448299"	253.113567	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+K"	39.970434
"246744"	974.547226	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+ACN+H"	42.033826
"1224922"	508.290526	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+ACN+H"	42.033826
"1204430"	254.648901	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+ACN+2H"	43.041102
"198395"	977.48456	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2Na-H"	44.97116
"631393"	1443.74126	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2Na-H"	44.97116
"1135992"	511.22786	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2Na-H"	44.97116
"173813"	489.245918	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2Na"	45.978436
"614469"	722.374268	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2Na"	45.978436
"1116874"	256.117568	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2Na"	45.978436
"1398733"	171.080804	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+2Na"	46.985712
"1431431"	513.269446	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+HCOOH"	47.012746
"222586"	494.27894	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+3H2O+2H"	56.04448
"1513563"	527.32149	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+IsoProp+H"	61.06479
"411061"	497.232888	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+Na+K"	61.952376
"770714"	730.361238	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+Na+K"	61.952376
"1667781"	264.104538	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na+K"	61.952376
"251580"	996.529168	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+ACN+Na"	64.015768
"1230169"	530.272468	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+ACN+Na"	64.015768
"1713339"	530.295993	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+NH4+HCOOH"	64.039293
"1183681"	178.408118	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+3Na"	68.967654
"1665415"	535.251388	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na+HCOOH"	68.994688
"171990"	1009.43244	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2K-H"	76.91904
"612563"	1475.68914	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2K-H"	76.91904
"1098611"	543.17574	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2K-H"	76.91904
"157057"	505.219858	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"2M+2K"	77.926316
"596324"	738.348208	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"3M+2K"	77.926316
"1084043"	272.091508	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2K"	77.926316
"1115566"	545.190292	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2K+H"	78.933592
"1349578"	545.277907	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+DMSO+H"	79.021207
"1019201"	549.317076	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2ACN+H"	83.060376
"1532953"	550.310708	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+IsoProp+Na+H"	84.054008
"1002682"	275.162176	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+2ACN+2H"	84.067652
"1599372"	551.225328	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K+HCOOH"	84.968628
"1428682"	581.256838	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+H+CF3COOH"	115.000138
"1162369"	295.675451	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+3ACN+2H"	125.094202
"1707056"	598.283385	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+NH4+CF3COOH"	132.026685
"1640520"	603.23878	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+Na+CF3COOH"	136.98208
"1578361"	619.21272	"C11136"	"Etiocholan-3alpha-ol-17-one 3-glucuronide"	"C25H38O8"	"466.2567"	"M+K+CF3COOH"	152.95602
"815657"	594.273	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M"	0
"978982"	575.25461	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-H2O-H"	-19.01839
"70509"	395.174724	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M-3H"	-3.021828
"506788"	593.265724	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M-3H"	-3.021828
"884587"	197.083724	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-3H"	-3.021828
"7538"	593.265724	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M-2H"	-2.014552
"442722"	890.402224	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M-2H"	-2.014552
"818090"	296.129224	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-2H"	-2.014552
"80875"	1187.538724	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M-H"	-1.007276
"523355"	1781.811724	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M-H"	-1.007276
"901521"	593.265724	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-H"	-1.007276
"51156"	1204.565271	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M-2H+NH4"	16.019271
"488284"	1798.838271	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M-2H+NH4"	16.019271
"865601"	610.292271	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-2H+NH4"	16.019271
"34597"	1209.520666	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M-2H+Na"	20.974666
"472704"	1803.793666	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M-2H+Na"	20.974666
"854886"	615.247666	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-2H+Na"	20.974666
"1622232"	615.247666	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Na-2H"	20.974666
"94500"	611.254063	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M-H+Cl"	33.962126
"534667"	908.390563	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M-H+Cl"	33.962126
"927169"	314.117563	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-H+Cl"	33.962126
"267759"	1223.515402	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+Cl"	34.969402
"667190"	1817.788402	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+Cl"	34.969402
"1275221"	629.242402	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Cl"	34.969402
"18018"	1225.494606	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M-2H+K"	36.948606
"458434"	1819.767606	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M-2H+K"	36.948606
"844622"	631.221606	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-2H+K"	36.948606
"1564099"	631.221606	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+K-2H"	36.948606
"958433"	639.271194	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-H+HCOOH"	44.998194
"375922"	1233.544201	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+HCOOH-H"	44.998201
"360292"	1247.559851	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+Hac-H"	59.013851
"1505106"	653.286851	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Hac-H"	59.013851
"968273"	661.253151	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-H+NaCOOH"	66.980151
"116450"	629.242402	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+2Cl"	69.938804
"555648"	926.378902	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+2Cl"	69.938804
"1026632"	332.105902	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2Cl"	69.938804
"1247302"	673.191885	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Br"	78.918885
"1307564"	675.247872	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Cl+HCOOH"	80.974872
"1325061"	697.229829	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Cl+NaCOOH"	102.956829
"912473"	707.258586	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M-H+CF3COOH"	112.985586
"1296112"	743.235264	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Cl+CF3COOH"	148.962264
"1373181"	559.260324	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H-2H2O"	-35.012676
"1390677"	577.2703	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H-H2O"	-17.0027
"290364"	1189.553276	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+H"	1.007276
"684973"	1783.826276	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+H"	1.007276
"1354765"	595.280276	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H"	1.007276
"129108"	595.280276	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+2H"	2.014552
"572316"	892.416776	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+2H"	2.014552
"1044763"	298.143776	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2H"	2.014552
"212663"	397.189276	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+3H"	3.021828
"647122"	595.280276	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+3H"	3.021828
"1165977"	199.098276	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+3H"	3.021828
"430343"	1206.579823	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+NH4"	18.033823
"791337"	1800.852823	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+NH4"	18.033823
"1685480"	612.306823	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+NH4"	18.033823
"333765"	603.7935495	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+H+NH4"	19.041099
"723019"	900.9300495	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+H+NH4"	19.041099
"1479279"	306.6570495	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H+NH4"	19.041099
"393340"	1211.535218	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+Na"	22.989218
"754378"	1805.808218	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+Na"	22.989218
"1602903"	617.262218	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Na"	22.989218
"314736"	606.271247	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+H+Na"	23.996494
"707318"	903.407747	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+H+Na"	23.996494
"1461855"	309.134747	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H+Na"	23.996494
"1052960"	206.42559	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2H+Na"	25.00377
"1263360"	627.306486	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+CH3OH+H"	33.033486
"380840"	1227.509158	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+K"	38.963158
"745117"	1821.782158	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+K"	38.963158
"1541699"	633.236158	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+K"	38.963158
"305444"	614.258217	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+H+K"	39.970434
"693491"	911.394717	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+H+K"	39.970434
"1448408"	317.121717	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H+K"	39.970434
"246854"	1230.579826	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+ACN+H"	42.033826
"1224545"	636.306826	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+ACN+H"	42.033826
"1201258"	318.657051	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+ACN+2H"	43.041102
"198505"	1233.51716	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+2Na-H"	44.97116
"633690"	1827.79016	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+2Na-H"	44.97116
"1136102"	639.24416	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2Na-H"	44.97116
"175015"	617.262218	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+2Na"	45.978436
"614941"	914.398718	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+2Na"	45.978436
"1116171"	320.125718	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2Na"	45.978436
"1399410"	213.752904	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H+2Na"	46.985712
"1431542"	641.285746	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H+HCOOH"	47.012746
"224154"	622.29524	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+3H2O+2H"	56.04448
"1511487"	655.33779	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+IsoProp+H"	61.06479
"410806"	625.249188	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+Na+K"	61.952376
"770701"	922.385688	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+Na+K"	61.952376
"1667770"	328.112688	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Na+K"	61.952376
"251977"	1252.561768	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+ACN+Na"	64.015768
"1230279"	658.288768	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+ACN+Na"	64.015768
"1713449"	658.312293	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+NH4+HCOOH"	64.039293
"1182698"	221.080218	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+3Na"	68.967654
"1663539"	663.267688	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Na+HCOOH"	68.994688
"169666"	1265.46504	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+2K-H"	76.91904
"609226"	1859.73804	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+2K-H"	76.91904
"1098843"	671.19204	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2K-H"	76.91904
"153838"	633.236158	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"2M+2K"	77.926316
"594489"	930.372658	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"3M+2K"	77.926316
"1082892"	336.099658	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2K"	77.926316
"1114402"	673.206592	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2K+H"	78.933592
"1347501"	673.294207	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+DMSO+H"	79.021207
"1018218"	677.333376	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2ACN+H"	83.060376
"1535249"	678.327008	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+IsoProp+Na+H"	84.054008
"1002792"	339.170326	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+2ACN+2H"	84.067652
"1600576"	679.241628	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+K+HCOOH"	84.968628
"1428424"	709.273138	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+H+CF3COOH"	115.000138
"1158711"	359.683601	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+3ACN+2H"	125.094202
"1708262"	726.299685	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+NH4+CF3COOH"	132.026685
"1635527"	731.25508	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+Na+CF3COOH"	136.98208
"1578471"	747.22902	"C11141"	"()-Atherospermoline"	"C36H38N2O6"	"594.273"	"M+K+CF3COOH"	152.95602
"812119"	94.0089	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M"	0
"986747"	74.99051	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-H2O-H"	-19.01839
"72804"	61.665324	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M-3H"	-3.021828
"510178"	93.001624	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M-3H"	-3.021828
"886885"	30.329024	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-3H"	-3.021828
"4367"	93.001624	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M-2H"	-2.014552
"443925"	140.006074	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M-2H"	-2.014552
"823914"	45.997174	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-2H"	-2.014552
"87186"	187.010524	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M-H"	-1.007276
"526746"	281.019424	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M-H"	-1.007276
"902360"	93.001624	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-H"	-1.007276
"50173"	204.037071	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M-2H+NH4"	16.019271
"488765"	298.045971	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M-2H+NH4"	16.019271
"869360"	110.028171	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-2H+NH4"	16.019271
"38720"	208.992466	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M-2H+Na"	20.974666
"473907"	303.001366	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M-2H+Na"	20.974666
"852076"	114.983566	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-2H+Na"	20.974666
"1623435"	114.983566	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Na-2H"	20.974666
"96684"	110.989963	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M-H+Cl"	33.962126
"536244"	157.994413	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M-H+Cl"	33.962126
"931947"	63.985513	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-H+Cl"	33.962126
"275972"	222.987202	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+Cl"	34.969402
"666208"	316.996102	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+Cl"	34.969402
"1274239"	128.978302	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Cl"	34.969402
"17157"	224.966406	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M-2H+K"	36.948606
"457451"	318.975306	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M-2H+K"	36.948606
"845096"	130.957506	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-2H+K"	36.948606
"1567491"	130.957506	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+K-2H"	36.948606
"958296"	139.007094	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-H+HCOOH"	44.998194
"376154"	233.016001	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+HCOOH-H"	44.998201
"360037"	247.031651	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+Hac-H"	59.013851
"1505217"	153.022751	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Hac-H"	59.013851
"968383"	160.989051	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-H+NaCOOH"	66.980151
"117289"	128.978302	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+2Cl"	69.938804
"557944"	175.982752	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+2Cl"	69.938804
"1028930"	81.973852	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2Cl"	69.938804
"1248506"	172.927785	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Br"	78.918885
"1312048"	174.983772	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Cl+HCOOH"	80.974872
"1322984"	196.965729	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Cl+NaCOOH"	102.956829
"915135"	206.994486	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M-H+CF3COOH"	112.985586
"1297316"	242.971164	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Cl+CF3COOH"	148.962264
"1373291"	58.996224	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H-2H2O"	-35.012676
"1395891"	77.0062	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H-H2O"	-17.0027
"293754"	189.025076	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+H"	1.007276
"681803"	283.033976	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+H"	1.007276
"1357062"	95.016176	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H"	1.007276
"128855"	95.016176	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+2H"	2.014552
"572790"	142.020626	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+2H"	2.014552
"1048153"	48.011726	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2H"	2.014552
"212773"	63.679876	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+3H"	3.021828
"646868"	95.016176	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+3H"	3.021828
"1166087"	32.343576	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+3H"	3.021828
"428267"	206.051623	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+NH4"	18.033823
"791447"	300.060523	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+NH4"	18.033823
"1687778"	112.042723	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+NH4"	18.033823
"333874"	103.5294495	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+H+NH4"	19.041099
"723375"	150.5338995	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+H+NH4"	19.041099
"1479146"	56.5249995	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H+NH4"	19.041099
"393693"	211.007018	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+Na"	22.989218
"755415"	305.015918	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+Na"	22.989218
"1603507"	116.998118	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Na"	22.989218
"314887"	106.007147	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+H+Na"	23.996494
"708039"	153.011597	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+H+Na"	23.996494
"1461971"	59.002697	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H+Na"	23.996494
"1053392"	39.67089	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2H+Na"	25.00377
"1263471"	127.042386	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+CH3OH+H"	33.033486
"384231"	226.980958	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+K"	38.963158
"743040"	320.989858	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+K"	38.963158
"1543997"	132.972058	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+K"	38.963158
"303366"	113.994117	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+H+K"	39.970434
"694691"	160.998567	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+H+K"	39.970434
"1448518"	66.989667	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H+K"	39.970434
"248057"	230.051626	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+ACN+H"	42.033826
"1223683"	136.042726	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+ACN+H"	42.033826
"1203555"	68.525001	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+ACN+2H"	43.041102
"198615"	232.98896	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+2Na-H"	44.97116
"633800"	326.99786	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+2Na-H"	44.97116
"1136212"	138.98006	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2Na-H"	44.97116
"175489"	116.998118	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+2Na"	45.978436
"615415"	164.002568	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+2Na"	45.978436
"1116849"	69.993668	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2Na"	45.978436
"1399522"	46.998204	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H+2Na"	46.985712
"1434932"	141.021646	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H+HCOOH"	47.012746
"226816"	122.03114	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+3H2O+2H"	56.04448
"1512690"	155.07369	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+IsoProp+H"	61.06479
"408923"	124.985088	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+Na+K"	61.952376
"770240"	171.989538	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+Na+K"	61.952376
"1667515"	77.980638	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Na+K"	61.952376
"253670"	252.033568	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+ACN+Na"	64.015768
"1230025"	158.024668	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+ACN+Na"	64.015768
"1713682"	158.048193	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+NH4+HCOOH"	64.039293
"1185724"	54.325518	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+3Na"	68.967654
"1663280"	163.003588	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Na+HCOOH"	68.994688
"169776"	264.93684	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+2K-H"	76.91904
"608242"	358.94574	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+2K-H"	76.91904
"1098222"	170.92794	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2K-H"	76.91904
"155287"	132.972058	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"2M+2K"	77.926316
"596060"	179.976508	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"3M+2K"	77.926316
"1083853"	85.967608	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2K"	77.926316
"1114879"	172.942492	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2K+H"	78.933592
"1345424"	173.030107	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+DMSO+H"	79.021207
"1015046"	177.069276	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2ACN+H"	83.060376
"1533170"	178.062908	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+IsoProp+Na+H"	84.054008
"1002902"	89.038276	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+2ACN+2H"	84.067652
"1600686"	178.977528	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+K+HCOOH"	84.968628
"1428533"	209.009038	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+H+CF3COOH"	115.000138
"1161981"	109.551551	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+3ACN+2H"	125.094202
"1711653"	226.035585	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+NH4+CF3COOH"	132.026685
"1640740"	230.99098	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+Na+CF3COOH"	136.98208
"1575301"	246.96492	"C11142"	"Dimethyl sulfone;Sulfonylbismethane"	"C2H6O2S"	"94.0089"	"M+K+CF3COOH"	152.95602
"808948"	78.0139	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M"	0
"987951"	58.99551	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-H2O-H"	-19.01839
"76562"	51.0019906666667	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M-3H"	-3.021828
"516850"	77.006624	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M-3H"	-3.021828
"894649"	24.9973573333333	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-3H"	-3.021828
"11037"	77.006624	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M-2H"	-2.014552
"444036"	116.013574	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M-2H"	-2.014552
"822931"	37.999674	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-2H"	-2.014552
"85109"	155.020524	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M-H"	-1.007276
"525763"	233.034424	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M-H"	-1.007276
"901377"	77.006624	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-H"	-1.007276
"52471"	172.047071	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M-2H+NH4"	16.019271
"493129"	250.060971	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M-2H+NH4"	16.019271
"874211"	94.033171	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-2H+NH4"	16.019271
"43204"	177.002466	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M-2H+Na"	20.974666
"480580"	255.016366	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M-2H+Na"	20.974666
"854011"	98.988566	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-2H+Na"	20.974666
"1625732"	98.988566	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Na-2H"	20.974666
"100076"	94.994963	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M-H+Cl"	33.962126
"540730"	134.001913	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M-H+Cl"	33.962126
"930964"	55.988013	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-H+Cl"	33.962126
"276082"	190.997202	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+Cl"	34.969402
"666319"	269.011102	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+Cl"	34.969402
"1273375"	112.983302	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Cl"	34.969402
"18117"	192.976406	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M-2H+K"	36.948606
"458655"	270.990306	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M-2H+K"	36.948606
"847029"	114.962506	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-2H+K"	36.948606
"1570763"	114.962506	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+K-2H"	36.948606
"957812"	123.012094	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-H+HCOOH"	44.998194
"375900"	201.026001	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+HCOOH-H"	44.998201
"359905"	215.041651	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+Hac-H"	59.013851
"1506058"	137.027751	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Hac-H"	59.013851
"970679"	144.994051	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-H+NaCOOH"	66.980151
"117399"	112.983302	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+2Cl"	69.938804
"556960"	151.990252	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+2Cl"	69.938804
"1031226"	73.976352	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2Cl"	69.938804
"1250803"	156.932785	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Br"	78.918885
"1316532"	158.988772	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Cl+HCOOH"	80.974872
"1325283"	180.970729	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Cl+NaCOOH"	102.956829
"918526"	190.999486	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M-H+CF3COOH"	112.985586
"1299979"	226.976164	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Cl+CF3COOH"	148.962264
"1373401"	43.001224	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H-2H2O"	-35.012676
"1391629"	61.0112	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H-H2O"	-17.0027
"288398"	157.035076	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+H"	1.007276
"681913"	235.048976	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+H"	1.007276
"1358263"	79.021176	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H"	1.007276
"131155"	79.021176	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+2H"	2.014552
"570716"	118.028126	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+2H"	2.014552
"1044984"	40.014226	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2H"	2.014552
"212885"	53.0165426666667	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+3H"	3.021828
"650259"	79.021176	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+3H"	3.021828
"1169478"	27.0119093333333	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+3H"	3.021828
"434937"	174.061623	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+NH4"	18.033823
"791557"	252.075523	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+NH4"	18.033823
"1687888"	96.047723	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+NH4"	18.033823
"336172"	87.5344495	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+H+NH4"	19.041099
"729686"	126.5413995	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+H+NH4"	19.041099
"1481322"	48.5274995	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H+NH4"	19.041099
"393437"	179.017018	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+Na"	22.989218
"756986"	257.030918	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+Na"	22.989218
"1604719"	101.003118	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Na"	22.989218
"318037"	90.012147	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+H+Na"	23.996494
"712646"	129.019097	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+H+Na"	23.996494
"1462938"	51.005197	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H+Na"	23.996494
"1053874"	34.3392233333333	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2H+Na"	25.00377
"1262488"	111.047386	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+CH3OH+H"	33.033486
"381062"	194.990958	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+K"	38.963158
"742056"	273.004858	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+K"	38.963158
"1544473"	116.977058	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+K"	38.963158
"303476"	97.999117	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+H+K"	39.970434
"693707"	137.006067	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+H+K"	39.970434
"1448627"	58.992167	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H+K"	39.970434
"243792"	198.061626	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+ACN+H"	42.033826
"1217595"	120.047726	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+ACN+H"	42.033826
"1203665"	60.527501	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+ACN+2H"	43.041102
"197629"	200.99896	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+2Na-H"	44.97116
"636097"	279.01286	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+2Na-H"	44.97116
"1139602"	122.98506	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2Na-H"	44.97116
"178518"	101.003118	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+2Na"	45.978436
"616255"	140.010068	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+2Na"	45.978436
"1117326"	61.996168	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2Na"	45.978436
"1399510"	41.6665373333333	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H+2Na"	46.985712
"1435043"	125.026646	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H+HCOOH"	47.012746
"229113"	106.03614	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+3H2O+2H"	56.04448
"1512801"	139.07869	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+IsoProp+H"	61.06479
"411392"	108.990088	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+Na+K"	61.952376
"772384"	147.997038	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+Na+K"	61.952376
"1666897"	69.983138	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Na+K"	61.952376
"253780"	220.043568	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+ACN+Na"	64.015768
"1228313"	142.029668	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+ACN+Na"	64.015768
"1713184"	142.053193	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+NH4+HCOOH"	64.039293
"1179637"	48.9938513333333	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+3Na"	68.967654
"1661931"	147.008588	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Na+HCOOH"	68.994688
"168792"	232.94684	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+2K-H"	76.91904
"610539"	310.96074	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+2K-H"	76.91904
"1099677"	154.93294	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2K-H"	76.91904
"156614"	116.977058	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"2M+2K"	77.926316
"596170"	155.984008	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"3M+2K"	77.926316
"1083725"	77.970108	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2K"	77.926316
"1114870"	156.947492	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2K+H"	78.933592
"1347721"	157.035107	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+DMSO+H"	79.021207
"1015157"	161.074276	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2ACN+H"	83.060376
"1529999"	162.067908	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+IsoProp+Na+H"	84.054008
"1000825"	81.040776	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+2ACN+2H"	84.067652
"1598610"	162.982528	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+K+HCOOH"	84.968628
"1425363"	193.014038	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+H+CF3COOH"	115.000138
"1161119"	101.554051	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+3ACN+2H"	125.094202
"1706294"	210.040585	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+NH4+CF3COOH"	132.026685
"1644134"	214.99598	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+Na+CF3COOH"	136.98208
"1581972"	230.96992	"C11143"	"Dimethyl sulfoxide;DMSO"	"C2H6OS"	"78.0139"	"M+K+CF3COOH"	152.95602
"805778"	46.0419	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M"	0
"986967"	27.02351	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-H2O-H"	-19.01839
"74117"	29.687324	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M-3H"	-3.021828
"512585"	45.034624	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M-3H"	-3.021828
"890386"	14.340024	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-3H"	-3.021828
"10054"	45.034624	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M-2H"	-2.014552
"449613"	68.055574	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M-2H"	-2.014552
"820854"	22.013674	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-2H"	-2.014552
"84126"	91.076524	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M-H"	-1.007276
"530247"	137.118424	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M-H"	-1.007276
"898571"	45.034624	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-H"	-1.007276
"50392"	108.103071	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M-2H+NH4"	16.019271
"492507"	154.144971	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M-2H+NH4"	16.019271
"871040"	62.061171	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-2H+NH4"	16.019271
"34201"	113.058466	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M-2H+Na"	20.974666
"479594"	159.100366	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M-2H+Na"	20.974666
"855209"	67.016566	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-2H+Na"	20.974666
"1624016"	67.016566	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Na-2H"	20.974666
"94332"	63.022963	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M-H+Cl"	33.962126
"534471"	86.043913	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M-H+Cl"	33.962126
"928277"	40.002013	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-H+Cl"	33.962126
"267678"	127.053202	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+Cl"	34.969402
"667522"	173.095102	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+Cl"	34.969402
"1273605"	81.011302	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Cl"	34.969402
"16403"	129.032406	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M-2H+K"	36.948606
"458765"	175.074306	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M-2H+K"	36.948606
"835106"	82.990506	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-2H+K"	36.948606
"1570264"	82.990506	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+K-2H"	36.948606
"958047"	91.040094	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-H+HCOOH"	44.998194
"376738"	137.082001	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+HCOOH-H"	44.998201
"360257"	151.097651	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+Hac-H"	59.013851
"1506532"	105.055751	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Hac-H"	59.013851
"968602"	113.022051	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-H+NaCOOH"	66.980151
"119696"	81.011302	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+2Cl"	69.938804
"558163"	104.032252	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+2Cl"	69.938804
"1029149"	57.990352	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2Cl"	69.938804
"1254194"	124.960785	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Br"	78.918885
"1313362"	127.016772	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Cl+HCOOH"	80.974872
"1326486"	148.998729	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Cl+NaCOOH"	102.956829
"919729"	159.027486	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M-H+CF3COOH"	112.985586
"1298631"	195.004164	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Cl+CF3COOH"	148.962264
"1370231"	11.029224	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H-2H2O"	-35.012676
"1389916"	29.0392	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H-H2O"	-17.0027
"290694"	93.091076	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+H"	1.007276
"684211"	139.132976	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+H"	1.007276
"1357279"	47.049176	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H"	1.007276
"131264"	47.049176	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+2H"	2.014552
"570826"	70.070126	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+2H"	2.014552
"1047646"	24.028226	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2H"	2.014552
"212995"	31.701876	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+3H"	3.021828
"650369"	47.049176	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+3H"	3.021828
"1173962"	16.354576	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+3H"	3.021828
"436870"	110.117623	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+NH4"	18.033823
"791667"	156.159523	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+NH4"	18.033823
"1689092"	64.075723	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+NH4"	18.033823
"333002"	55.5624495	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+H+NH4"	19.041099
"729796"	78.5833995	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+H+NH4"	19.041099
"1481432"	32.5414995	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H+NH4"	19.041099
"392924"	115.073018	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+Na"	22.989218
"756732"	161.114918	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+Na"	22.989218
"1608109"	69.031118	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Na"	22.989218
"318147"	58.040147	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+H+Na"	23.996494
"712756"	81.061097	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+H+Na"	23.996494
"1463294"	35.019197	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H+Na"	23.996494
"1055444"	23.68189	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2H+Na"	25.00377
"1260411"	79.075386	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+CH3OH+H"	33.033486
"381171"	131.046958	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+K"	38.963158
"741072"	177.088858	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+K"	38.963158
"1542761"	85.005058	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+K"	38.963158
"302128"	66.027117	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+H+K"	39.970434
"692359"	89.048067	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+H+K"	39.970434
"1446009"	43.006167	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H+K"	39.970434
"246087"	134.117626	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+ACN+H"	42.033826
"1215519"	88.075726	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+ACN+H"	42.033826
"1203775"	44.541501	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+ACN+2H"	43.041102
"197739"	137.05496	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+2Na-H"	44.97116
"633289"	183.09686	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+2Na-H"	44.97116
"1139712"	91.01306	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2Na-H"	44.97116
"178628"	69.031118	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+2Na"	45.978436
"613811"	92.052068	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+2Na"	45.978436
"1118412"	46.010168	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2Na"	45.978436
"1399749"	31.009204	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H+2Na"	46.985712
"1435153"	93.054646	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H+HCOOH"	47.012746
"229223"	74.06414	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+3H2O+2H"	56.04448
"1513275"	107.10669	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+IsoProp+H"	61.06479
"411502"	77.018088	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+Na+K"	61.952376
"770052"	100.039038	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+Na+K"	61.952376
"1666035"	53.997138	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Na+K"	61.952376
"252552"	156.099568	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+ACN+Na"	64.015768
"1228423"	110.057668	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+ACN+Na"	64.015768
"1712776"	110.081193	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+NH4+HCOOH"	64.039293
"1180839"	38.336518	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+3Na"	68.967654
"1662041"	115.036588	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Na+HCOOH"	68.994688
"168902"	169.00284	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+2K-H"	76.91904
"609555"	215.04474	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+2K-H"	76.91904
"1098442"	122.96094	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2K-H"	76.91904
"156112"	85.005058	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"2M+2K"	77.926316
"596280"	108.026008	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"3M+2K"	77.926316
"1084074"	61.984108	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2K"	77.926316
"1115302"	124.975492	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2K+H"	78.933592
"1346738"	125.063107	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+DMSO+H"	79.021207
"1015267"	129.102276	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2ACN+H"	83.060376
"1532296"	130.095908	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+IsoProp+Na+H"	84.054008
"999842"	65.054776	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+2ACN+2H"	84.067652
"1598720"	131.010528	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+K+HCOOH"	84.968628
"1428753"	161.042038	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+H+CF3COOH"	115.000138
"1159042"	85.568051	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+3ACN+2H"	125.094202
"1706404"	178.068585	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+NH4+CF3COOH"	132.026685
"1644244"	183.02398	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+Na+CF3COOH"	136.98208
"1582082"	198.99792	"C11144"	"Dimethyl ether;Methoxymethane;DME"	"C2H6O"	"46.0419"	"M+K+CF3COOH"	152.95602
"802608"	95.9881	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M"	0
"985984"	76.96971	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-H2O-H"	-19.01839
"73134"	62.9847906666667	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M-3H"	-3.021828
"512695"	94.980824	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M-3H"	-3.021828
"886122"	30.9887573333333	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-3H"	-3.021828
"6885"	94.980824	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M-2H"	-2.014552
"448629"	142.974874	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M-2H"	-2.014552
"822058"	46.986774	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-2H"	-2.014552
"86423"	190.968924	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M-H"	-1.007276
"531452"	286.957024	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M-H"	-1.007276
"902691"	94.980824	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-H"	-1.007276
"59253"	207.995471	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M-2H+NH4"	16.019271
"495532"	303.983571	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M-2H+NH4"	16.019271
"868596"	112.007371	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-2H+NH4"	16.019271
"37227"	212.950866	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M-2H+Na"	20.974666
"474234"	308.938966	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M-2H+Na"	20.974666
"852767"	116.962766	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-2H+Na"	20.974666
"1622303"	116.962766	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Na-2H"	20.974666
"94821"	112.969163	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M-H+Cl"	33.962126
"534745"	160.963213	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M-H+Cl"	33.962126
"927533"	64.975113	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-H+Cl"	33.962126
"267317"	226.945602	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+Cl"	34.969402
"666537"	322.933702	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+Cl"	34.969402
"1276754"	130.957502	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Cl"	34.969402
"18217"	228.924806	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M-2H+K"	36.948606
"459968"	324.912906	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M-2H+K"	36.948606
"834852"	132.936706	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-2H+K"	36.948606
"1559068"	132.936706	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+K-2H"	36.948606
"957177"	140.986294	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-H+HCOOH"	44.998194
"375755"	236.974401	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+HCOOH-H"	44.998201
"360729"	250.990051	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+Hac-H"	59.013851
"1503361"	155.001951	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Hac-H"	59.013851
"964704"	162.968251	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-H+NaCOOH"	66.980151
"117620"	130.957502	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+2Cl"	69.938804
"556086"	178.951552	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+2Cl"	69.938804
"1028166"	82.963452	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2Cl"	69.938804
"1247744"	174.906985	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Br"	78.918885
"1310191"	176.962972	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Cl+HCOOH"	80.974872
"1325501"	198.944929	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Cl+NaCOOH"	102.956829
"920933"	208.973686	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M-H+CF3COOH"	112.985586
"1297648"	244.950364	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Cl+CF3COOH"	148.962264
"1376903"	60.975424	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H-2H2O"	-35.012676
"1390025"	78.9854	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H-H2O"	-17.0027
"283879"	192.983476	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+H"	1.007276
"677029"	288.971576	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+H"	1.007276
"1354108"	96.995376	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H"	1.007276
"128457"	96.995376	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+2H"	2.014552
"566920"	144.989426	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+2H"	2.014552
"1038641"	49.001326	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2H"	2.014552
"206665"	64.9993426666667	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+3H"	3.021828
"650479"	96.995376	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+3H"	3.021828
"1171885"	33.0033093333333	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+3H"	3.021828
"431876"	210.010023	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+NH4"	18.033823
"790683"	305.998123	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+NH4"	18.033823
"1685190"	114.021923	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+NH4"	18.033823
"336392"	105.5086495	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+H+NH4"	19.041099
"732094"	153.5026995	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+H+NH4"	19.041099
"1484823"	57.5145995	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H+NH4"	19.041099
"398035"	214.965418	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+Na"	22.989218
"760123"	310.953518	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+Na"	22.989218
"1607127"	118.977318	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Na"	22.989218
"320445"	107.986347	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+H+Na"	23.996494
"712867"	155.980397	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+H+Na"	23.996494
"1464497"	59.992297	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H+Na"	23.996494
"1053370"	40.3306233333333	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2H+Na"	25.00377
"1258450"	129.021586	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+CH3OH+H"	33.033486
"377710"	230.939358	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+K"	38.963158
"739358"	326.927458	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+K"	38.963158
"1539987"	134.951258	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+K"	38.963158
"298652"	115.973317	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+H+K"	39.970434
"691376"	163.967367	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+H+K"	39.970434
"1445666"	67.979267	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H+K"	39.970434
"238902"	234.010026	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+ACN+H"	42.033826
"1214533"	138.021926	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+ACN+H"	42.033826
"1202790"	69.514601	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+ACN+2H"	43.041102
"192382"	236.94736	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+2Na-H"	44.97116
"631939"	332.93546	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+2Na-H"	44.97116
"1132890"	140.95926	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2Na-H"	44.97116
"174604"	118.977318	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+2Na"	45.978436
"614647"	166.971368	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+2Na"	45.978436
"1117059"	70.983268	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2Na"	45.978436
"1400952"	47.6579373333333	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H+2Na"	46.985712
"1436355"	143.000846	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H+HCOOH"	47.012746
"229333"	124.01034	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+3H2O+2H"	56.04448
"1513020"	157.05289	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+IsoProp+H"	61.06479
"409426"	126.964288	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+Na+K"	61.952376
"769961"	174.958338	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+Na+K"	61.952376
"1666750"	78.970238	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Na+K"	61.952376
"251475"	255.991968	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+ACN+Na"	64.015768
"1227193"	160.003868	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+ACN+Na"	64.015768
"1713200"	160.027393	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+NH4+HCOOH"	64.039293
"1180585"	54.9852513333333	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+3Na"	68.967654
"1653402"	164.982788	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Na+HCOOH"	68.994688
"160261"	268.89524	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+2K-H"	76.91904
"607479"	364.88334	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+2K-H"	76.91904
"1091991"	172.90714	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2K-H"	76.91904
"144068"	134.951258	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"2M+2K"	77.926316
"583627"	182.945308	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"3M+2K"	77.926316
"1072511"	86.957208	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2K"	77.926316
"1115210"	174.921692	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2K+H"	78.933592
"1343568"	175.009307	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+DMSO+H"	79.021207
"1015377"	179.048476	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2ACN+H"	83.060376
"1530219"	180.042108	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+IsoProp+Na+H"	84.054008
"996671"	90.027876	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+2ACN+2H"	84.067652
"1593358"	180.956728	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+K+HCOOH"	84.968628
"1420115"	210.988238	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+H+CF3COOH"	115.000138
"1153682"	110.541151	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+3ACN+2H"	125.094202
"1700317"	228.014785	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+NH4+CF3COOH"	132.026685
"1643261"	232.97018	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+Na+CF3COOH"	136.98208
"1582192"	248.94412	"C11145"	"Methanesulfonic acid;Methanesulfonate"	"CH4SO3"	"95.9881"	"M+K+CF3COOH"	152.95602
"803811"	251.963	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M"	0
"985000"	232.94461	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-H2O-H"	-19.01839
"71053"	166.968057333333	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M-3H"	-3.021828
"509525"	250.955724	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M-3H"	-3.021828
"891698"	82.9803906666667	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-3H"	-3.021828
"9182"	250.955724	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M-2H"	-2.014552
"448739"	376.937224	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M-2H"	-2.014552
"823259"	124.974224	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-2H"	-2.014552
"86533"	502.918724	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M-H"	-1.007276
"530467"	754.881724	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M-H"	-1.007276
"902801"	250.955724	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-H"	-1.007276
"54988"	519.945271	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M-2H+NH4"	16.019271
"494549"	771.908271	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M-2H+NH4"	16.019271
"868340"	267.982271	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-2H+NH4"	16.019271
"36973"	524.900666	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M-2H+Na"	20.974666
"474711"	776.863666	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M-2H+Na"	20.974666
"852513"	272.937666	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-2H+Na"	20.974666
"1627152"	272.937666	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Na-2H"	20.974666
"95659"	268.944063	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M-H+Cl"	33.962126
"535708"	394.925563	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M-H+Cl"	33.962126
"928492"	142.962563	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-H+Cl"	33.962126
"267264"	538.895402	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+Cl"	34.969402
"660318"	790.858402	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+Cl"	34.969402
"1273575"	286.932402	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Cl"	34.969402
"15776"	540.874606	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M-2H+K"	36.948606
"457886"	792.837606	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M-2H+K"	36.948606
"834594"	288.911606	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-2H+K"	36.948606
"1557352"	288.911606	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+K-2H"	36.948606
"958214"	296.961194	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-H+HCOOH"	44.998194
"376269"	548.924201	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+HCOOH-H"	44.998201
"357918"	562.939851	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+Hac-H"	59.013851
"1502374"	310.976851	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Hac-H"	59.013851
"963354"	318.943151	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-H+NaCOOH"	66.980151
"118822"	286.932402	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+2Cl"	69.938804
"559476"	412.913902	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+2Cl"	69.938804
"1029368"	160.950902	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2Cl"	69.938804
"1248946"	330.881885	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Br"	78.918885
"1310300"	332.937872	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Cl+HCOOH"	80.974872
"1331077"	354.919829	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Cl+NaCOOH"	102.956829
"921042"	364.948586	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M-H+CF3COOH"	112.985586
"1300675"	400.925264	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Cl+CF3COOH"	148.962264
"1374826"	216.950324	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H-2H2O"	-35.012676
"1391228"	234.9603	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H-H2O"	-17.0027
"288728"	504.933276	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+H"	1.007276
"678234"	756.896276	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+H"	1.007276
"1354219"	252.970276	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H"	1.007276
"130389"	252.970276	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+2H"	2.014552
"569949"	378.951776	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+2H"	2.014552
"1039113"	126.988776	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2H"	2.014552
"208839"	168.982609333333	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+3H"	3.021828
"651682"	252.970276	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+3H"	3.021828
"1168713"	84.9949426666667	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+3H"	3.021828
"430891"	521.959823	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+NH4"	18.033823
"789699"	773.922823	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+NH4"	18.033823
"1683477"	269.996823	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+NH4"	18.033823
"335409"	261.4835495	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+H+NH4"	19.041099
"732204"	387.4650495	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+H+NH4"	19.041099
"1489308"	135.5020495	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H+NH4"	19.041099
"401425"	526.915218	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+Na"	22.989218
"763513"	778.878218	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+Na"	22.989218
"1608330"	274.952218	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Na"	22.989218
"320555"	263.961247	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+H+Na"	23.996494
"716257"	389.942747	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+H+Na"	23.996494
"1463151"	137.979747	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H+Na"	23.996494
"1053846"	92.3222566666667	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2H+Na"	25.00377
"1259533"	284.996486	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+CH3OH+H"	33.033486
"380297"	542.889158	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+K"	38.963158
"739832"	794.852158	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+K"	38.963158
"1543345"	290.926158	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+K"	38.963158
"298650"	271.948217	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+H+K"	39.970434
"691512"	397.929717	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+H+K"	39.970434
"1445822"	145.966717	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H+K"	39.970434
"239742"	545.959826	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+ACN+H"	42.033826
"1213549"	293.996826	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+ACN+H"	42.033826
"1198526"	147.502051	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+ACN+2H"	43.041102
"192492"	548.89716	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+2Na-H"	44.97116
"635331"	800.86016	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+2Na-H"	44.97116
"1136650"	296.93416	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2Na-H"	44.97116
"175566"	274.952218	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+2Na"	45.978436
"621686"	400.933718	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+2Na"	45.978436
"1115995"	148.970718	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2Na"	45.978436
"1404343"	99.6495706666667	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H+2Na"	46.985712
"1435372"	298.975746	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H+HCOOH"	47.012746
"229443"	279.98524	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+3H2O+2H"	56.04448
"1512037"	313.02779	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+IsoProp+H"	61.06479
"409536"	282.939188	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+Na+K"	61.952376
"770037"	408.920688	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+Na+K"	61.952376
"1665841"	156.957688	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Na+K"	61.952376
"252044"	567.941768	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+ACN+Na"	64.015768
"1226819"	315.978768	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+ACN+Na"	64.015768
"1713431"	316.002293	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+NH4+HCOOH"	64.039293
"1178564"	106.976884666667	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+3Na"	68.967654
"1653512"	320.957688	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Na+HCOOH"	68.994688
"161465"	580.84504	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+2K-H"	76.91904
"606496"	832.80804	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+2K-H"	76.91904
"1092101"	328.88204	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2K-H"	76.91904
"146729"	290.926158	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"2M+2K"	77.926316
"587381"	416.907658	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"3M+2K"	77.926316
"1072986"	164.944658	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2K"	77.926316
"1113854"	330.896592	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2K+H"	78.933592
"1343678"	330.984207	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+DMSO+H"	79.021207
"1013300"	335.023376	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2ACN+H"	83.060376
"1530329"	336.017008	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+IsoProp+Na+H"	84.054008
"1000061"	168.015326	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+2ACN+2H"	84.067652
"1593468"	336.931628	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+K+HCOOH"	84.968628
"1422411"	366.963138	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+H+CF3COOH"	115.000138
"1154885"	188.528601	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+3ACN+2H"	125.094202
"1701157"	383.989685	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+NH4+CF3COOH"	132.026685
"1641184"	388.94508	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+Na+CF3COOH"	136.98208
"1582302"	404.91902	"C11146"	"Methylmercury chloride"	"CH3ClHg"	"251.963"	"M+K+CF3COOH"	152.95602
"815588"	34.0219	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M"	0
"979642"	15.00351	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-H2O-H"	-19.01839
"70070"	21.6739906666667	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M-3H"	-3.021828
"516196"	33.014624	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M-3H"	-3.021828
"892903"	10.3333573333333	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-3H"	-3.021828
"14517"	33.014624	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M-2H"	-2.014552
"454076"	50.025574	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M-2H"	-2.014552
"823374"	16.003674	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-2H"	-2.014552
"88832"	67.036524	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M-H"	-1.007276
"531671"	101.058424	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M-H"	-1.007276
"911019"	33.014624	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-H"	-1.007276
"57289"	84.063071	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M-2H+NH4"	16.019271
"490289"	118.084971	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M-2H+NH4"	16.019271
"868819"	50.041171	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-2H+NH4"	16.019271
"35991"	89.018466	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M-2H+Na"	20.974666
"476648"	123.040366	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M-2H+Na"	20.974666
"852262"	54.996566	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-2H+Na"	20.974666
"1618917"	54.996566	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Na-2H"	20.974666
"95412"	51.002963	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M-H+Cl"	33.962126
"540077"	68.013913	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M-H+Cl"	33.962126
"935779"	33.992013	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-H+Cl"	33.962126
"275430"	103.013202	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+Cl"	34.969402
"665664"	137.035102	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+Cl"	34.969402
"1280256"	68.991302	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Cl"	34.969402
"21721"	104.992406	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M-2H+K"	36.948606
"463470"	139.014306	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M-2H+K"	36.948606
"839082"	70.970506	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-2H+K"	36.948606
"1562570"	70.970506	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+K-2H"	36.948606
"956652"	79.020094	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-H+HCOOH"	44.998194
"376219"	113.042001	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+HCOOH-H"	44.998201
"359125"	127.057651	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+Hac-H"	59.013851
"1503578"	93.035751	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Hac-H"	59.013851
"966746"	101.002051	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-H+NaCOOH"	66.980151
"117840"	68.991302	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+2Cl"	69.938804
"558494"	86.002252	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+2Cl"	69.938804
"1030572"	51.980352	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2Cl"	69.938804
"1250151"	112.940785	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Br"	78.918885
"1312963"	114.996772	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Cl+HCOOH"	80.974872
"1326816"	136.978729	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Cl+NaCOOH"	102.956829
"921153"	147.007486	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M-H+CF3COOH"	112.985586
"1303708"	182.984164	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Cl+CF3COOH"	148.962264
"1378218"	-0.990775999999997	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H-2H2O"	-35.012676
"1394621"	17.0192	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H-H2O"	-17.0027
"292121"	69.051076	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+H"	1.007276
"687829"	103.072976	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+H"	1.007276
"1360897"	35.029176	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H"	1.007276
"135972"	35.029176	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+2H"	2.014552
"571157"	52.040126	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+2H"	2.014552
"1046519"	18.018226	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2H"	2.014552
"216242"	23.6885426666667	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+3H"	3.021828
"652887"	35.029176	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+3H"	3.021828
"1168823"	12.3479093333333	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+3H"	3.021828
"432098"	86.077623	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+NH4"	18.033823
"796009"	120.099523	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+NH4"	18.033823
"1689423"	52.055723	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+NH4"	18.033823
"340987"	43.5424495	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+H+NH4"	19.041099
"735963"	60.5533995	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+H+NH4"	19.041099
"1491242"	26.5314995	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H+NH4"	19.041099
"407007"	91.033018	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+Na"	22.989218
"768002"	125.054918	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+Na"	22.989218
"1615010"	57.011118	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Na"	22.989218
"326138"	46.020147	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+H+Na"	23.996494
"718924"	63.031097	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+H+Na"	23.996494
"1465454"	29.009197	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H+Na"	23.996494
"1054446"	19.6752233333333	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2H+Na"	25.00377
"1258191"	67.055386	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+CH3OH+H"	33.033486
"379317"	107.006958	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+K"	38.963158
"740312"	141.028858	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+K"	38.963158
"1543096"	72.985058	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+K"	38.963158
"298686"	54.007117	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+H+K"	39.970434
"695242"	71.018067	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+H+K"	39.970434
"1447968"	36.996167	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H+K"	39.970434
"239852"	110.077626	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+ACN+H"	42.033826
"1214754"	76.055726	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+ACN+H"	42.033826
"1198637"	38.531501	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+ACN+2H"	43.041102
"192602"	113.01496	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+2Na-H"	44.97116
"630339"	147.03686	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+2Na-H"	44.97116
"1133480"	78.99306	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2Na-H"	44.97116
"173603"	57.011118	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+2Na"	45.978436
"618515"	74.022068	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+2Na"	45.978436
"1116107"	40.000168	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2Na"	45.978436
"1405545"	27.0025373333333	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H+2Na"	46.985712
"1434389"	81.034646	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H+HCOOH"	47.012746
"226270"	62.04414	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+3H2O+2H"	56.04448
"1512148"	95.08669	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+IsoProp+H"	61.06479
"409647"	64.998088	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+Na+K"	61.952376
"770119"	82.009038	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+Na+K"	61.952376
"1668065"	47.987138	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Na+K"	61.952376
"252032"	132.059568	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+ACN+Na"	64.015768
"1225721"	98.037668	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+ACN+Na"	64.015768
"1716181"	98.061193	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+NH4+HCOOH"	64.039293
"1179710"	34.3298513333333	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+3Na"	68.967654
"1655808"	103.016588	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Na+HCOOH"	68.994688
"162668"	144.96284	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+2K-H"	76.91904
"602229"	178.98474	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+2K-H"	76.91904
"1087833"	110.94094	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2K-H"	76.91904
"146833"	72.985058	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"2M+2K"	77.926316
"588584"	89.996008	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"3M+2K"	77.926316
"1074191"	55.974108	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2K"	77.926316
"1105211"	112.955492	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2K+H"	78.933592
"1343783"	113.043107	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+DMSO+H"	79.021207
"1010127"	117.082276	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2ACN+H"	83.060376
"1530439"	118.075908	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+IsoProp+Na+H"	84.054008
"1001264"	59.044776	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+2ACN+2H"	84.067652
"1593578"	118.990528	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+K+HCOOH"	84.968628
"1425800"	149.022038	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+H+CF3COOH"	115.000138
"1153901"	79.558051	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+3ACN+2H"	125.094202
"1701267"	166.048585	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+NH4+CF3COOH"	132.026685
"1643481"	171.00398	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+Na+CF3COOH"	136.98208
"1582412"	186.97792	"C11147"	"Fluoromethane;Methyl fluoride"	"CH3F"	"34.0219"	"M+K+CF3COOH"	152.95602
"810593"	145.9093	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M"	0
"979752"	126.89091	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-H2O-H"	-19.01839
"70179"	96.2655906666667	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M-3H"	-3.021828
"506460"	144.902024	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M-3H"	-3.021828
"891916"	47.6291573333333	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-3H"	-3.021828
"10491"	144.902024	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M-2H"	-2.014552
"450053"	217.856674	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M-2H"	-2.014552
"830044"	71.947374	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-2H"	-2.014552
"92830"	290.811324	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M-H"	-1.007276
"529594"	436.720624	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M-H"	-1.007276
"906302"	144.902024	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-H"	-1.007276
"57396"	307.837871	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M-2H+NH4"	16.019271
"499145"	453.747171	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M-2H+NH4"	16.019271
"869296"	161.928571	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-2H+NH4"	16.019271
"38288"	312.793266	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M-2H+Na"	20.974666
"476758"	458.702566	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M-2H+Na"	20.974666
"861120"	166.883966	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-2H+Na"	20.974666
"1621907"	166.883966	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Na-2H"	20.974666
"97344"	162.890363	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M-H+Cl"	33.962126
"538000"	235.845013	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M-H+Cl"	33.962126
"934795"	89.935713	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-H+Cl"	33.962126
"275540"	326.788002	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+Cl"	34.969402
"663587"	472.697302	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+Cl"	34.969402
"1279271"	180.878702	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Cl"	34.969402
"22924"	328.767206	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M-2H+K"	36.948606
"466861"	474.676506	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M-2H+K"	36.948606
"842473"	182.857906	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-2H+K"	36.948606
"1561586"	182.857906	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+K-2H"	36.948606
"956762"	190.907494	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-H+HCOOH"	44.998194
"376204"	336.816801	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+HCOOH-H"	44.998201
"357048"	350.832451	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+Hac-H"	59.013851
"1502595"	204.923151	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Hac-H"	59.013851
"967949"	212.889451	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-H+NaCOOH"	66.980151
"117950"	180.878702	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+2Cl"	69.938804
"558603"	253.833352	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+2Cl"	69.938804
"1027402"	107.924052	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2Cl"	69.938804
"1250259"	224.828185	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Br"	78.918885
"1315626"	226.884172	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Cl+HCOOH"	80.974872
"1326925"	248.866129	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Cl+NaCOOH"	102.956829
"920169"	258.894886	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M-H+CF3COOH"	112.985586
"1302844"	294.871564	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Cl+CF3COOH"	148.962264
"1379057"	110.896624	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H-2H2O"	-35.012676
"1393273"	128.9066	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H-H2O"	-17.0027
"290043"	292.825876	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+H"	1.007276
"686846"	438.735176	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+H"	1.007276
"1361007"	146.916576	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H"	1.007276
"137175"	146.916576	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+2H"	2.014552
"573453"	219.871226	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+2H"	2.014552
"1045536"	73.961926	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2H"	2.014552
"207968"	98.2801426666667	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+3H"	3.021828
"649715"	146.916576	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+3H"	3.021828
"1168933"	49.6437093333333	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+3H"	3.021828
"435487"	309.852423	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+NH4"	18.033823
"793201"	455.761723	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+NH4"	18.033823
"1688440"	163.943123	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+NH4"	18.033823
"341097"	155.4298495	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+H+NH4"	19.041099
"736437"	228.3844995	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+H+NH4"	19.041099
"1491715"	82.4751995	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H+NH4"	19.041099
"404929"	314.807818	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+Na"	22.989218
"767017"	460.717118	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+Na"	22.989218
"1618234"	168.898518	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Na"	22.989218
"329162"	157.907547	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+H+Na"	23.996494
"718668"	230.862197	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+H+Na"	23.996494
"1469210"	84.952897	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H+Na"	23.996494
"1054801"	56.9710233333333	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2H+Na"	25.00377
"1258787"	178.942786	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+CH3OH+H"	33.033486
"380522"	330.781758	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+K"	38.963158
"740788"	476.691058	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+K"	38.963158
"1544664"	184.872458	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+K"	38.963158
"301840"	165.894517	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+H+K"	39.970434
"697539"	238.849167	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+H+K"	39.970434
"1452454"	92.939867	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H+K"	39.970434
"242149"	333.852426	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+ACN+H"	42.033826
"1215956"	187.943126	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+ACN+H"	42.033826
"1200935"	94.475201	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+ACN+2H"	43.041102
"192712"	336.78976	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+2Na-H"	44.97116
"630085"	482.69906	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+2Na-H"	44.97116
"1131614"	190.88046	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2Na-H"	44.97116
"180160"	168.898518	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+2Na"	45.978436
"615346"	241.853168	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+2Na"	45.978436
"1116299"	95.943868	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2Na"	45.978436
"1400311"	64.2983373333333	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H+2Na"	46.985712
"1434499"	192.922046	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H+HCOOH"	47.012746
"226383"	173.93154	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+3H2O+2H"	56.04448
"1520644"	206.97409	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+IsoProp+H"	61.06479
"409758"	176.885488	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+Na+K"	61.952376
"770059"	249.840138	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+Na+K"	61.952376
"1667081"	103.930838	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Na+K"	61.952376
"252263"	355.834368	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+ACN+Na"	64.015768
"1228858"	209.925068	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+ACN+Na"	64.015768
"1716290"	209.948593	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+NH4+HCOOH"	64.039293
"1182006"	71.6256513333333	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+3Na"	68.967654
"1653731"	214.903988	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Na+HCOOH"	68.994688
"159497"	368.73764	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+2K-H"	76.91904
"602338"	514.64694	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+2K-H"	76.91904
"1087943"	222.82834	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2K-H"	76.91904
"146943"	184.872458	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"2M+2K"	77.926316
"587601"	257.827108	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"3M+2K"	77.926316
"1074303"	111.917808	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2K"	77.926316
"1107512"	224.842892	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2K+H"	78.933592
"1341707"	224.930507	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+DMSO+H"	79.021207
"1014613"	228.969676	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2ACN+H"	83.060376
"1534924"	229.963308	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+IsoProp+Na+H"	84.054008
"1003562"	114.988476	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+2ACN+2H"	84.067652
"1602321"	230.877928	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+K+HCOOH"	84.968628
"1425912"	260.909438	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+H+CF3COOH"	115.000138
"1157294"	135.501751	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+3ACN+2H"	125.094202
"1700284"	277.935985	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+NH4+CF3COOH"	132.026685
"1643591"	282.89138	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+Na+CF3COOH"	136.98208
"1582522"	298.86532	"C11148"	"TCE epoxide;Trichloroethylene epoxide;Trichloroepoxyethane"	"C2HCl3O"	"145.9093"	"M+K+CF3COOH"	152.95602
"811796"	127.9432	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M"	0
"985329"	108.92481	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-H2O-H"	-19.01839
"70289"	84.2881906666667	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M-3H"	-3.021828
"508756"	126.935924	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M-3H"	-3.021828
"890933"	41.6404573333333	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-3H"	-3.021828
"9508"	126.935924	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M-2H"	-2.014552
"447976"	190.907524	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M-2H"	-2.014552
"832671"	62.964324	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-2H"	-2.014552
"93060"	254.879124	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M-H"	-1.007276
"528611"	382.822324	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M-H"	-1.007276
"906412"	126.935924	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-H"	-1.007276
"54226"	271.905671	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M-2H+NH4"	16.019271
"495974"	399.848871	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M-2H+NH4"	16.019271
"869771"	143.962471	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-2H+NH4"	16.019271
"38399"	276.861066	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M-2H+Na"	20.974666
"476868"	404.804266	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M-2H+Na"	20.974666
"861230"	148.917866	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-2H+Na"	20.974666
"1622018"	148.917866	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Na-2H"	20.974666
"97454"	144.924263	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M-H+Cl"	33.962126
"538471"	208.895863	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M-H+Cl"	33.962126
"931625"	80.952663	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-H+Cl"	33.962126
"275650"	290.855802	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+Cl"	34.969402
"661631"	418.799002	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+Cl"	34.969402
"1277194"	162.912602	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Cl"	34.969402
"23034"	292.835006	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M-2H+K"	36.948606
"466971"	420.778206	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M-2H+K"	36.948606
"842583"	164.891806	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-2H+K"	36.948606
"1560967"	164.891806	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+K-2H"	36.948606
"956508"	172.941394	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-H+HCOOH"	44.998194
"376912"	300.884601	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+HCOOH-H"	44.998201
"360318"	314.900251	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+Hac-H"	59.013851
"1504530"	186.957051	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Hac-H"	59.013851
"966966"	194.923351	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-H+NaCOOH"	66.980151
"119155"	162.912602	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+2Cl"	69.938804
"556528"	226.884202	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+2Cl"	69.938804
"1030793"	98.941002	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2Cl"	69.938804
"1249641"	206.862085	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Br"	78.918885
"1313912"	208.918072	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Cl+HCOOH"	80.974872
"1327398"	230.900029	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Cl+NaCOOH"	102.956829
"917363"	240.928786	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M-H+CF3COOH"	112.985586
"1303437"	276.905464	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Cl+CF3COOH"	148.962264
"1380626"	92.930524	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H-2H2O"	-35.012676
"1394843"	110.9405	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H-H2O"	-17.0027
"295259"	256.893676	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+H"	1.007276
"684770"	384.836876	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+H"	1.007276
"1360753"	128.950476	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H"	1.007276
"136191"	128.950476	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+2H"	2.014552
"571377"	192.922076	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+2H"	2.014552
"1046372"	64.978876	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2H"	2.014552
"211357"	86.3027426666667	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+3H"	3.021828
"653106"	128.950476	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+3H"	3.021828
"1175241"	43.6550093333333	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+3H"	3.021828
"435233"	273.920223	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+NH4"	18.033823
"794404"	401.863423	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+NH4"	18.033823
"1687456"	145.977023	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+NH4"	18.033823
"345501"	137.4637495	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+H+NH4"	19.041099
"738212"	201.4353495	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+H+NH4"	19.041099
"1491951"	73.4921495	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H+NH4"	19.041099
"403947"	278.875618	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+Na"	22.989218
"769916"	406.818818	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+Na"	22.989218
"1617661"	150.932418	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Na"	22.989218
"329640"	139.941447	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+H+Na"	23.996494
"721695"	203.913047	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+H+Na"	23.996494
"1472600"	75.969847	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H+Na"	23.996494
"1061474"	50.9823233333333	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2H+Na"	25.00377
"1264245"	160.976686	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+CH3OH+H"	33.033486
"386101"	294.849558	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+K"	38.963158
"741629"	422.792758	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+K"	38.963158
"1546962"	166.906358	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+K"	38.963158
"306325"	147.928417	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+H+K"	39.970434
"698745"	211.900017	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+H+K"	39.970434
"1455844"	83.956817	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H+K"	39.970434
"240436"	297.920226	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+ACN+H"	42.033826
"1217162"	169.977026	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+ACN+H"	42.033826
"1201046"	85.492151	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+ACN+2H"	43.041102
"192822"	300.85756	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+2Na-H"	44.97116
"633476"	428.80076	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+2Na-H"	44.97116
"1132117"	172.91436	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2Na-H"	44.97116
"175044"	150.932418	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+2Na"	45.978436
"620923"	214.904018	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+2Na"	45.978436
"1117994"	86.960818	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2Na"	45.978436
"1400541"	58.3096373333333	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H+2Na"	46.985712
"1436795"	174.955946	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H+HCOOH"	47.012746
"229773"	155.96544	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+3H2O+2H"	56.04448
"1522211"	189.00799	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+IsoProp+H"	61.06479
"418617"	158.919388	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+Na+K"	61.952376
"771348"	222.890988	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+Na+K"	61.952376
"1671569"	94.947788	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Na+K"	61.952376
"254803"	319.902168	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+ACN+Na"	64.015768
"1229703"	191.958968	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+ACN+Na"	64.015768
"1716401"	191.982493	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+NH4+HCOOH"	64.039293
"1183211"	65.6369513333333	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+3Na"	68.967654
"1653841"	196.937888	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Na+HCOOH"	68.994688
"160701"	332.80544	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+2K-H"	76.91904
"603542"	460.74864	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+2K-H"	76.91904
"1091333"	204.86224	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2K-H"	76.91904
"148149"	166.906358	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"2M+2K"	77.926316
"587711"	230.877958	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"3M+2K"	77.926316
"1077692"	102.934758	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2K"	77.926316
"1111997"	206.876792	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2K+H"	78.933592
"1347289"	206.964407	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+DMSO+H"	79.021207
"1018006"	211.003576	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2ACN+H"	83.060376
"1533941"	211.997208	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+IsoProp+Na+H"	84.054008
"1001485"	106.005426	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+2ACN+2H"	84.067652
"1599268"	212.911828	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+K+HCOOH"	84.968628
"1426022"	242.943338	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+H+CF3COOH"	115.000138
"1156310"	126.518701	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+3ACN+2H"	125.094202
"1703674"	259.969885	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+NH4+CF3COOH"	132.026685
"1644794"	264.92528	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+Na+CF3COOH"	136.98208
"1582632"	280.89922	"C11149"	"Dichloroacetate"	"C2H2Cl2O2"	"127.9432"	"M+K+CF3COOH"	152.95602
"811906"	161.9042	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M"	0
"978878"	142.88581	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-H2O-H"	-19.01839
"64080"	106.928857333333	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M-3H"	-3.021828
"508866"	160.896924	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M-3H"	-3.021828
"882294"	52.9607906666667	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-3H"	-3.021828
"6338"	160.896924	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M-2H"	-2.014552
"451366"	241.849024	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M-2H"	-2.014552
"821511"	79.944824	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-2H"	-2.014552
"84786"	322.801124	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M-H"	-1.007276
"524347"	484.705324	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M-H"	-1.007276
"901054"	160.896924	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-H"	-1.007276
"54336"	339.827671	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M-2H+NH4"	16.019271
"499364"	501.731871	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M-2H+NH4"	16.019271
"869517"	177.923471	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-2H+NH4"	16.019271
"34500"	344.783066	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M-2H+Na"	20.974666
"480258"	506.687266	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M-2H+Na"	20.974666
"860976"	182.878866	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-2H+Na"	20.974666
"1631967"	182.878866	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Na-2H"	20.974666
"101938"	178.885263	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M-H+Cl"	33.962126
"540403"	259.837363	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M-H+Cl"	33.962126
"929548"	97.933163	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-H+Cl"	33.962126
"274666"	358.777802	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+Cl"	34.969402
"662348"	520.682002	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+Cl"	34.969402
"1277304"	196.873602	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Cl"	34.969402
"23144"	360.757006	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M-2H+K"	36.948606
"465988"	522.661206	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M-2H+K"	36.948606
"842693"	198.852806	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-2H+K"	36.948606
"1559620"	198.852806	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+K-2H"	36.948606
"955525"	206.902394	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-H+HCOOH"	44.998194
"375568"	368.806601	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+HCOOH-H"	44.998201
"355071"	382.822251	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+Hac-H"	59.013851
"1503548"	220.918051	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Hac-H"	59.013851
"969266"	228.884351	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-H+NaCOOH"	66.980151
"123642"	196.873602	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+2Cl"	69.938804
"557733"	277.825702	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+2Cl"	69.938804
"1029809"	115.921502	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2Cl"	69.938804
"1249387"	240.823085	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Br"	78.918885
"1310012"	242.879072	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Cl+HCOOH"	80.974872
"1327145"	264.861029	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Cl+NaCOOH"	102.956829
"919297"	274.889786	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M-H+CF3COOH"	112.985586
"1302575"	310.866464	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Cl+CF3COOH"	148.962264
"1378914"	126.891524	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H-2H2O"	-35.012676
"1393131"	144.9015	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H-H2O"	-17.0027
"294276"	324.815676	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+H"	1.007276
"689255"	486.719876	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+H"	1.007276
"1365238"	162.911476	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H"	1.007276
"139585"	162.911476	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+2H"	2.014552
"578779"	243.863576	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+2H"	2.014552
"1045754"	81.959376	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2H"	2.014552
"213656"	108.943409333333	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+3H"	3.021828
"654310"	162.911476	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+3H"	3.021828
"1174257"	54.9753426666667	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+3H"	3.021828
"432427"	341.842223	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+NH4"	18.033823
"793421"	503.746423	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+NH4"	18.033823
"1687566"	179.938023	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+NH4"	18.033823
"345207"	171.4247495	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+H+NH4"	19.041099
"738198"	252.3768495	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+H+NH4"	19.041099
"1491938"	90.4726495	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H+NH4"	19.041099
"407337"	346.797618	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+Na"	22.989218
"768331"	508.701818	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+Na"	22.989218
"1618136"	184.893418	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Na"	22.989218
"326467"	173.902447	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+H+Na"	23.996494
"717794"	254.854547	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+H+Na"	23.996494
"1468336"	92.950347	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H+Na"	23.996494
"1059397"	62.3026566666667	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2H+Na"	25.00377
"1265448"	194.937686	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+CH3OH+H"	33.033486
"385117"	362.771558	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+K"	38.963158
"741739"	524.675758	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+K"	38.963158
"1545980"	200.867358	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+K"	38.963158
"307528"	181.889417	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+H+K"	39.970434
"698855"	262.841517	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+H+K"	39.970434
"1452675"	100.937317	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H+K"	39.970434
"242369"	365.842226	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+ACN+H"	42.033826
"1213990"	203.938026	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+ACN+H"	42.033826
"1201155"	102.472651	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+ACN+2H"	43.041102
"189651"	368.77956	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+2Na-H"	44.97116
"633586"	530.68376	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+2Na-H"	44.97116
"1131540"	206.87536	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2Na-H"	44.97116
"176008"	184.893418	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+2Na"	45.978436
"617754"	265.845518	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+2Na"	45.978436
"1120534"	103.941318	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2Na"	45.978436
"1399679"	69.6299706666667	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H+2Na"	46.985712
"1436905"	208.916946	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H+HCOOH"	47.012746
"227695"	189.92644	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+3H2O+2H"	56.04448
"1521227"	222.96899	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+IsoProp+H"	61.06479
"413259"	192.880388	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+Na+K"	61.952376
"773159"	273.832488	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+Na+K"	61.952376
"1671677"	111.928288	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Na+K"	61.952376
"254912"	387.824168	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+ACN+Na"	64.015768
"1229813"	225.919968	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+ACN+Na"	64.015768
"1717235"	225.943493	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+NH4+HCOOH"	64.039293
"1182957"	76.9572846666667	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+3Na"	68.967654
"1653951"	230.898888	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Na+HCOOH"	68.994688
"161904"	400.72744	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+2K-H"	76.91904
"601463"	562.63164	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+2K-H"	76.91904
"1088163"	238.82324	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2K-H"	76.91904
"147166"	200.867358	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"2M+2K"	77.926316
"587821"	281.819458	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"3M+2K"	77.926316
"1076709"	119.915258	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2K"	77.926316
"1109920"	240.837792	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2K+H"	78.933592
"1346306"	240.925407	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+DMSO+H"	79.021207
"1015927"	244.964576	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2ACN+H"	83.060376
"1534052"	245.958208	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+IsoProp+Na+H"	84.054008
"999407"	122.985926	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+2ACN+2H"	84.067652
"1595002"	246.872828	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+K+HCOOH"	84.968628
"1421758"	276.904338	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+H+CF3COOH"	115.000138
"1155327"	143.499201	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+3ACN+2H"	125.094202
"1701597"	293.930885	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+NH4+CF3COOH"	132.026685
"1644904"	298.88628	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+Na+CF3COOH"	136.98208
"1582742"	314.86022	"C11150"	"Trichloroacetate;Trichloroacetic acid;TCA"	"C2HCl3O2"	"161.9042"	"M+K+CF3COOH"	152.95602
"810923"	338.0231	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M"	0
"982269"	319.00471	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-H2O-H"	-19.01839
"68324"	224.341457333333	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M-3H"	-3.021828
"504236"	337.015824	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M-3H"	-3.021828
"882404"	111.667090666667	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-3H"	-3.021828
"4261"	337.015824	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M-2H"	-2.014552
"444915"	506.027374	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M-2H"	-2.014552
"819433"	168.004274	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-2H"	-2.014552
"83803"	675.038924	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M-H"	-1.007276
"524457"	1013.062024	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M-H"	-1.007276
"900071"	337.015824	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-H"	-1.007276
"54446"	692.065471	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M-2H+NH4"	16.019271
"499474"	1030.088571	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M-2H+NH4"	16.019271
"866711"	354.042371	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-2H+NH4"	16.019271
"36434"	697.020866	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M-2H+Na"	20.974666
"480368"	1035.043966	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M-2H+Na"	20.974666
"860357"	358.997766	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-2H+Na"	20.974666
"1632806"	358.997766	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Na-2H"	20.974666
"99861"	355.004163	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M-H+Cl"	33.962126
"543794"	524.015713	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M-H+Cl"	33.962126
"928565"	185.992613	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-H+Cl"	33.962126
"270402"	711.015602	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+Cl"	34.969402
"662094"	1049.038702	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+Cl"	34.969402
"1277414"	372.992502	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Cl"	34.969402
"23254"	712.994806	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M-2H+K"	36.948606
"470352"	1051.017906	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M-2H+K"	36.948606
"841710"	374.971706	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-2H+K"	36.948606
"1559730"	374.971706	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+K-2H"	36.948606
"956000"	383.021294	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-H+HCOOH"	44.998194
"376042"	721.044401	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+HCOOH-H"	44.998201
"356274"	735.060051	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+Hac-H"	59.013851
"1504388"	397.036951	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Hac-H"	59.013851
"969377"	405.003251	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-H+NaCOOH"	66.980151
"122659"	372.992502	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+2Cl"	69.938804
"558936"	542.004052	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+2Cl"	69.938804
"1031011"	203.980952	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2Cl"	69.938804
"1251682"	416.941985	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Br"	78.918885
"1314132"	418.997972	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Cl+HCOOH"	80.974872
"1326162"	440.979929	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Cl+NaCOOH"	102.956829
"918314"	451.008686	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M-H+CF3COOH"	112.985586
"1299402"	486.985364	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Cl+CF3COOH"	148.962264
"1377565"	303.010424	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H-2H2O"	-35.012676
"1393605"	321.0204	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H-H2O"	-17.0027
"289281"	677.053476	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+H"	1.007276
"686086"	1015.076576	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+H"	1.007276
"1364619"	339.030376	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H"	1.007276
"139696"	339.030376	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+2H"	2.014552
"579253"	508.041926	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+2H"	2.014552
"1049144"	170.018826	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2H"	2.014552
"215953"	226.356009333333	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+3H"	3.021828
"655514"	339.030376	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+3H"	3.021828
"1173274"	113.681642666667	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+3H"	3.021828
"434724"	694.080023	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+NH4"	18.033823
"791345"	1032.103123	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+NH4"	18.033823
"1690956"	356.056923	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+NH4"	18.033823
"345318"	347.5436495	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+H+NH4"	19.041099
"733855"	516.5551995	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+H+NH4"	19.041099
"1488768"	178.5320995	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H+NH4"	19.041099
"405262"	699.035418	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+Na"	22.989218
"767347"	1037.058518	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+Na"	22.989218
"1616539"	361.012318	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Na"	22.989218
"328400"	350.021347	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+H+Na"	23.996494
"720092"	519.032897	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+H+Na"	23.996494
"1465893"	181.009797	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H+Na"	23.996494
"1057319"	121.008956666667	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2H+Na"	25.00377
"1260089"	371.056586	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+CH3OH+H"	33.033486
"381947"	715.009358	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+K"	38.963158
"741849"	1053.032458	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+K"	38.963158
"1546090"	376.986258	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+K"	38.963158
"307639"	358.008317	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+H+K"	39.970434
"698965"	527.019867	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+H+K"	39.970434
"1452784"	188.996767	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H+K"	39.970434
"239198"	718.080026	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+ACN+H"	42.033826
"1215193"	380.056926	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+ACN+H"	42.033826
"1197620"	190.532101	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+ACN+2H"	43.041102
"192313"	721.01736	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+2Na-H"	44.97116
"634060"	1059.04046	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+2Na-H"	44.97116
"1131460"	382.99426	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2Na-H"	44.97116
"176482"	361.012318	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+2Na"	45.978436
"617864"	530.023868	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+2Na"	45.978436
"1121737"	192.000768	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2Na"	45.978436
"1400156"	128.336270666667	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H+2Na"	46.985712
"1437015"	385.035846	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H+HCOOH"	47.012746
"225618"	366.04534	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+3H2O+2H"	56.04448
"1519150"	399.08789	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+IsoProp+H"	61.06479
"411181"	368.999288	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+Na+K"	61.952376
"773268"	538.010838	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+Na+K"	61.952376
"1672880"	199.987738	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Na+K"	61.952376
"254292"	740.061968	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+ACN+Na"	64.015768
"1229923"	402.038868	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+ACN+Na"	64.015768
"1716251"	402.062393	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+NH4+HCOOH"	64.039293
"1182702"	135.663584666667	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+3Na"	68.967654
"1657340"	407.017788	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Na+HCOOH"	68.994688
"160921"	752.96524	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+2K-H"	76.91904
"599387"	1090.98834	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+2K-H"	76.91904
"1087180"	414.94214	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2K-H"	76.91904
"147276"	376.986258	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"2M+2K"	77.926316
"587931"	545.997808	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"3M+2K"	77.926316
"1076819"	207.974708	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2K"	77.926316
"1113188"	416.956692	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2K+H"	78.933592
"1346416"	417.044307	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+DMSO+H"	79.021207
"1017130"	421.083476	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2ACN+H"	83.060376
"1534162"	422.077108	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+IsoProp+Na+H"	84.054008
"999517"	211.045376	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+2ACN+2H"	84.067652
"1592925"	422.991728	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+K+HCOOH"	84.968628
"1421868"	453.023238	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+H+CF3COOH"	115.000138
"1157624"	231.558651	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+3ACN+2H"	125.094202
"1701707"	470.049785	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+NH4+CF3COOH"	132.026685
"1641734"	475.00518	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+Na+CF3COOH"	136.98208
"1582852"	490.97912	"C11151"	"Phenylmercury acetate"	"C8H8HgO2"	"338.0231"	"M+K+CF3COOH"	152.95602
"806658"	339.1303	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M"	0
"982379"	320.11191	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-H2O-H"	-19.01839
"68434"	225.079590666667	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M-3H"	-3.021828
"504711"	338.123024	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M-3H"	-3.021828
"883607"	112.036157333333	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-3H"	-3.021828
"5464"	338.123024	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M-2H"	-2.014552
"445025"	507.688174	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M-2H"	-2.014552
"820272"	168.557874	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-2H"	-2.014552
"83913"	677.253324	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M-H"	-1.007276
"522380"	1016.383624	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M-H"	-1.007276
"900181"	338.123024	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-H"	-1.007276
"54556"	694.279871	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M-2H+NH4"	16.019271
"499584"	1033.410171	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M-2H+NH4"	16.019271
"868644"	355.149571	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-2H+NH4"	16.019271
"36544"	699.235266	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M-2H+Na"	20.974666
"483758"	1038.365566	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M-2H+Na"	20.974666
"860467"	360.104966	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-2H+Na"	20.974666
"1632187"	360.104966	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Na-2H"	20.974666
"102157"	356.111363	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M-H+Cl"	33.962126
"538437"	525.676513	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M-H+Cl"	33.962126
"931955"	186.546213	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-H+Cl"	33.962126
"271606"	713.230002	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+Cl"	34.969402
"664027"	1052.360302	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+Cl"	34.969402
"1276431"	374.099702	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Cl"	34.969402
"20084"	715.209206	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M-2H+K"	36.948606
"469492"	1054.339506	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M-2H+K"	36.948606
"841820"	376.078906	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-2H+K"	36.948606
"1559840"	376.078906	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+K-2H"	36.948606
"955746"	384.128494	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-H+HCOOH"	44.998194
"375425"	723.258801	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+HCOOH-H"	44.998201
"357843"	737.274451	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+Hac-H"	59.013851
"1503040"	398.144151	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Hac-H"	59.013851
"968030"	406.110451	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-H+NaCOOH"	66.980151
"124228"	374.099702	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+2Cl"	69.938804
"557953"	543.664852	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+2Cl"	69.938804
"1028938"	204.534552	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2Cl"	69.938804
"1248879"	418.049185	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Br"	78.918885
"1314242"	420.105172	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Cl+HCOOH"	80.974872
"1326274"	442.087129	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Cl+NaCOOH"	102.956829
"917332"	452.115886	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M-H+CF3COOH"	112.985586
"1299512"	488.092564	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Cl+CF3COOH"	148.962264
"1379134"	304.117624	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H-2H2O"	-35.012676
"1393715"	322.1276	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H-H2O"	-17.0027
"291213"	679.267876	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+H"	1.007276
"686196"	1018.398176	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+H"	1.007276
"1363636"	340.137576	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H"	1.007276
"139804"	340.137576	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+2H"	2.014552
"579363"	509.702726	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+2H"	2.014552
"1045974"	170.572426	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2H"	2.014552
"208407"	227.094142666667	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+3H"	3.021828
"647966"	340.137576	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+3H"	3.021828
"1173384"	114.050709333333	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+3H"	3.021828
"433740"	696.294423	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+NH4"	18.033823
"791455"	1035.424723	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+NH4"	18.033823
"1693254"	357.164123	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+NH4"	18.033823
"344334"	348.6508495	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+H+NH4"	19.041099
"735059"	518.2159995	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+H+NH4"	19.041099
"1490699"	179.0856995	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H+NH4"	19.041099
"407192"	701.249818	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+Na"	22.989218
"767457"	1040.380118	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+Na"	22.989218
"1614462"	362.119518	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Na"	22.989218
"326688"	351.128547	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+H+Na"	23.996494
"720203"	520.693697	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+H+Na"	23.996494
"1469649"	181.563397	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H+Na"	23.996494
"1058523"	121.378023333333	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2H+Na"	25.00377
"1258500"	372.163786	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+CH3OH+H"	33.033486
"379504"	717.223758	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+K"	38.963158
"744146"	1056.354058	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+K"	38.963158
"1550573"	378.093458	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+K"	38.963158
"307749"	359.115517	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+H+K"	39.970434
"697982"	528.680667	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+H+K"	39.970434
"1451801"	189.550367	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H+K"	39.970434
"239308"	720.294426	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+ACN+H"	42.033826
"1212388"	381.164126	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+ACN+H"	42.033826
"1198824"	191.085701	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+ACN+2H"	43.041102
"195340"	723.23176	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+2Na-H"	44.97116
"635994"	1062.36206	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+2Na-H"	44.97116
"1138406"	384.10146	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2Na-H"	44.97116
"179508"	362.119518	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+2Na"	45.978436
"621255"	531.684668	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+2Na"	45.978436
"1122578"	192.554368	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2Na"	45.978436
"1402090"	128.705337333333	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H+2Na"	46.985712
"1438219"	386.143046	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H+HCOOH"	47.012746
"227916"	367.15254	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+3H2O+2H"	56.04448
"1521449"	400.19509	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+IsoProp+H"	61.06479
"416759"	370.106488	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+Na+K"	61.952376
"775566"	539.671638	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+Na+K"	61.952376
"1674813"	200.541338	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Na+K"	61.952376
"257323"	742.276368	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+ACN+Na"	64.015768
"1232221"	403.146068	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+ACN+Na"	64.015768
"1716732"	403.169593	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+NH4+HCOOH"	64.039293
"1180993"	136.032651333333	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+3Na"	68.967654
"1653077"	408.124988	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Na+HCOOH"	68.994688
"163221"	755.17964	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+2K-H"	76.91904
"603873"	1094.30994	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+2K-H"	76.91904
"1092758"	416.04934	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2K-H"	76.91904
"150671"	378.093458	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"2M+2K"	77.926316
"591324"	547.658608	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"3M+2K"	77.926316
"1082278"	208.528308	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2K"	77.926316
"1109046"	418.063892	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2K+H"	78.933592
"1347618"	418.151507	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+DMSO+H"	79.021207
"1012865"	422.190676	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2ACN+H"	83.060376
"1532083"	423.184308	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+IsoProp+Na+H"	84.054008
"996345"	211.598976	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+2ACN+2H"	84.067652
"1593035"	424.098928	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+K+HCOOH"	84.968628
"1421977"	454.130438	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+H+CF3COOH"	115.000138
"1151173"	232.112251	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+3ACN+2H"	125.094202
"1700723"	471.156985	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+NH4+CF3COOH"	132.026685
"1641844"	476.11238	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+Na+CF3COOH"	136.98208
"1582962"	492.08632	"C11152"	"Tetraphenylphosphonium"	"C24H20P"	"339.1303"	"M+K+CF3COOH"	152.95602
"803488"	656.1564	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M"	0
"980302"	637.13801	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-H2O-H"	-19.01839
"68544"	436.430324	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M-3H"	-3.021828
"505914"	655.149124	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M-3H"	-3.021828
"882985"	217.711524	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-3H"	-3.021828
"6667"	655.149124	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M-2H"	-2.014552
"449507"	983.227324	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M-2H"	-2.014552
"821840"	327.070924	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-2H"	-2.014552
"85116"	1311.305524	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M-H"	-1.007276
"525771"	1967.461924	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M-H"	-1.007276
"902477"	655.149124	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-H"	-1.007276
"56852"	1328.332071	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M-2H+NH4"	16.019271
"500787"	1984.488471	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M-2H+NH4"	16.019271
"866567"	672.175671	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-2H+NH4"	16.019271
"38844"	1333.287466	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M-2H+Na"	20.974666
"477310"	1989.443866	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M-2H+Na"	20.974666
"861672"	677.131066	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-2H+Na"	20.974666
"1629018"	677.131066	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Na-2H"	20.974666
"105547"	673.137463	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M-H+Cl"	33.962126
"538548"	1001.215663	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M-H+Cl"	33.962126
"928783"	345.059263	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-H+Cl"	33.962126
"270622"	1347.282202	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+Cl"	34.969402
"661221"	2003.438602	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+Cl"	34.969402
"1276541"	691.125802	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Cl"	34.969402
"21287"	1349.261406	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M-2H+K"	36.948606
"470331"	2005.417806	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M-2H+K"	36.948606
"843023"	693.105006	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-2H+K"	36.948606
"1568698"	693.105006	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+K-2H"	36.948606
"956584"	701.154594	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-H+HCOOH"	44.998194
"375535"	1357.311001	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+HCOOH-H"	44.998201
"360520"	1371.326651	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+Hac-H"	59.013851
"1507285"	715.170251	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Hac-H"	59.013851
"969597"	723.136551	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-H+NaCOOH"	66.980151
"118503"	691.125802	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+2Cl"	69.938804
"560250"	1019.204002	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+2Cl"	69.938804
"1030140"	363.047602	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2Cl"	69.938804
"1250809"	735.075285	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Br"	78.918885
"1312164"	737.131272	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Cl+HCOOH"	80.974872
"1326384"	759.113229	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Cl+NaCOOH"	102.956829
"916349"	769.141986	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M-H+CF3COOH"	112.985586
"1298528"	805.118664	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Cl+CF3COOH"	148.962264
"1380701"	621.143724	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H-2H2O"	-35.012676
"1393095"	639.1537	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H-H2O"	-17.0027
"292052"	1313.320076	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+H"	1.007276
"690313"	1969.476476	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+H"	1.007276
"1364839"	657.163676	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H"	1.007276
"140643"	657.163676	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+2H"	2.014552
"578380"	985.241876	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+2H"	2.014552
"1047177"	329.085476	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2H"	2.014552
"212889"	438.444876	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+3H"	3.021828
"648076"	657.163676	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+3H"	3.021828
"1166201"	219.726076	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+3H"	3.021828
"430568"	1330.346623	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+NH4"	18.033823
"788282"	1986.503023	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+NH4"	18.033823
"1693365"	674.190223	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+NH4"	18.033823
"344565"	665.6769495	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+H+NH4"	19.041099
"735895"	993.7551495	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+H+NH4"	19.041099
"1488988"	337.5987495	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H+NH4"	19.041099
"404387"	1335.302018	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+Na"	22.989218
"768662"	1991.458418	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+Na"	22.989218
"1617898"	679.145618	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Na"	22.989218
"329108"	668.154647	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+H+Na"	23.996494
"721406"	996.232847	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+H+Na"	23.996494
"1473039"	340.076447	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H+Na"	23.996494
"1057539"	227.05339	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2H+Na"	25.00377
"1261406"	689.189886	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+CH3OH+H"	33.033486
"380343"	1351.275958	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+K"	38.963158
"745349"	2007.432358	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+K"	38.963158
"1545216"	695.119558	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+K"	38.963158
"305671"	676.141617	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+H+K"	39.970434
"701372"	1004.219817	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+H+K"	39.970434
"1454098"	348.063417	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H+K"	39.970434
"242699"	1354.346626	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+ACN+H"	42.033826
"1213227"	698.190226	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+ACN+H"	42.033826
"1201849"	349.598751	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+ACN+2H"	43.041102
"195449"	1357.28396	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+2Na-H"	44.97116
"634280"	2013.44036	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+2Na-H"	44.97116
"1137422"	701.12756	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2Na-H"	44.97116
"179982"	679.145618	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+2Na"	45.978436
"616991"	1007.223818	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+2Na"	45.978436
"1125968"	351.067418	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2Na"	45.978436
"1402565"	234.380704	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H+2Na"	46.985712
"1438329"	703.169146	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H+HCOOH"	47.012746
"230943"	684.17864	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+3H2O+2H"	56.04448
"1521559"	717.22119	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+IsoProp+H"	61.06479
"416870"	687.132588	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+Na+K"	61.952376
"776770"	1015.210788	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+Na+K"	61.952376
"1674923"	359.054388	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Na+K"	61.952376
"257433"	1376.328568	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+ACN+Na"	64.015768
"1234518"	720.172168	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+ACN+Na"	64.015768
"1717935"	720.195693	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+NH4+HCOOH"	64.039293
"1182198"	241.708018	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+3Na"	68.967654
"1653187"	725.151088	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Na+HCOOH"	68.994688
"164424"	1389.23184	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+2K-H"	76.91904
"603983"	2045.38824	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+2K-H"	76.91904
"1090681"	733.07544	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2K-H"	76.91904
"145310"	695.119558	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"2M+2K"	77.926316
"590339"	1023.197758	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"3M+2K"	77.926316
"1075944"	367.041358	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2K"	77.926316
"1108062"	735.089992	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2K+H"	78.933592
"1345542"	735.177607	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+DMSO+H"	79.021207
"1011882"	739.216776	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2ACN+H"	83.060376
"1527820"	740.210408	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+IsoProp+Na+H"	84.054008
"991714"	370.112026	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+2ACN+2H"	84.067652
"1588771"	741.125028	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+K+HCOOH"	84.968628
"1417712"	771.156538	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+H+CF3COOH"	115.000138
"1152375"	390.625301	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+3ACN+2H"	125.094202
"1701927"	788.183085	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+NH4+CF3COOH"	132.026685
"1641954"	793.13848	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+Na+CF3COOH"	136.98208
"1583072"	809.11242	"C11153"	"Teniposide;VM-26"	"C32H32O13S"	"656.1564"	"M+K+CF3COOH"	152.95602
"803598"	369.1801	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M"	0
"979319"	350.16171	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-H2O-H"	-19.01839
"68654"	245.112790666667	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M-3H"	-3.021828
"504931"	368.172824	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M-3H"	-3.021828
"880543"	122.052757333333	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-3H"	-3.021828
"5684"	368.172824	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M-2H"	-2.014552
"445245"	552.762874	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M-2H"	-2.014552
"823044"	183.582774	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-2H"	-2.014552
"83402"	737.352924	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M-H"	-1.007276
"529161"	1106.533024	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M-H"	-1.007276
"901858"	368.172824	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-H"	-1.007276
"54776"	754.379471	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M-2H+NH4"	16.019271
"496523"	1123.559571	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M-2H+NH4"	16.019271
"865459"	385.199371	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-2H+NH4"	16.019271
"34580"	759.334866	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M-2H+Na"	20.974666
"473046"	1128.514966	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M-2H+Na"	20.974666
"856314"	390.154766	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-2H+Na"	20.974666
"1626940"	390.154766	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Na-2H"	20.974666
"101282"	386.161163	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M-H+Cl"	33.962126
"540843"	570.751213	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M-H+Cl"	33.962126
"928402"	201.571113	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-H+Cl"	33.962126
"267444"	773.329602	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+Cl"	34.969402
"660107"	1142.509702	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+Cl"	34.969402
"1273733"	404.149502	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Cl"	34.969402
"21397"	775.308806	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M-2H+K"	36.948606
"471047"	1144.488906	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M-2H+K"	36.948606
"843133"	406.128706	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-2H+K"	36.948606
"1568808"	406.128706	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+K-2H"	36.948606
"957786"	414.178294	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-H+HCOOH"	44.998194
"376009"	783.358401	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+HCOOH-H"	44.998201
"360998"	797.374051	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+Hac-H"	59.013851
"1507879"	428.193951	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Hac-H"	59.013851
"971531"	436.160251	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-H+NaCOOH"	66.980151
"118249"	404.149502	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+2Cl"	69.938804
"560360"	588.739552	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+2Cl"	69.938804
"1028064"	219.559452	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2Cl"	69.938804
"1248004"	448.098985	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Br"	78.918885
"1310087"	450.154972	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Cl+HCOOH"	80.974872
"1326494"	472.136929	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Cl+NaCOOH"	102.956829
"917553"	482.165686	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M-H+CF3COOH"	112.985586
"1295359"	518.142364	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Cl+CF3COOH"	148.962264
"1380083"	334.167424	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H-2H2O"	-35.012676
"1390655"	352.1774	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H-H2O"	-17.0027
"287424"	739.367476	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+H"	1.007276
"688598"	1108.547576	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+H"	1.007276
"1366772"	370.187376	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H"	1.007276
"138930"	370.187376	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+2H"	2.014552
"576304"	554.777426	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+2H"	2.014552
"1046194"	185.597326	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2H"	2.014552
"210813"	247.127342666667	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+3H"	3.021828
"647093"	370.187376	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+3H"	3.021828
"1166311"	124.067309333333	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+3H"	3.021828
"430678"	756.394023	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+NH4"	18.033823
"787299"	1125.574123	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+NH4"	18.033823
"1696595"	387.213923	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+NH4"	18.033823
"342125"	378.7006495	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+H+NH4"	19.041099
"733091"	563.2906995	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+H+NH4"	19.041099
"1488004"	194.1105995	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H+NH4"	19.041099
"403405"	761.349418	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+Na"	22.989218
"767679"	1130.529518	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+Na"	22.989218
"1614682"	392.169318	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Na"	22.989218
"328000"	381.178347	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+H+Na"	23.996494
"718236"	565.768397	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+H+Na"	23.996494
"1470963"	196.588297	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H+Na"	23.996494
"1056556"	131.394623333333	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2H+Na"	25.00377
"1260057"	402.213586	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+CH3OH+H"	33.033486
"384464"	777.323358	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+K"	38.963158
"744367"	1146.503458	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+K"	38.963158
"1547513"	408.143258	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+K"	38.963158
"305782"	389.165317	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+H+K"	39.970434
"700389"	573.755367	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+H+K"	39.970434
"1449835"	204.575267	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H+K"	39.970434
"238435"	780.394026	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+ACN+H"	42.033826
"1215524"	411.213926	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+ACN+H"	42.033826
"1201594"	206.110601	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+ACN+2H"	43.041102
"192643"	783.33136	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+2Na-H"	44.97116
"630745"	1152.51146	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+2Na-H"	44.97116
"1138990"	414.15126	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2Na-H"	44.97116
"180822"	392.169318	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+2Na"	45.978436
"614548"	576.759368	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+2Na"	45.978436
"1127171"	207.579268	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2Na"	45.978436
"1404862"	138.721937333333	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H+2Na"	46.985712
"1439532"	416.192846	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H+HCOOH"	47.012746
"230324"	397.20234	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+3H2O+2H"	56.04448
"1518389"	430.24489	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+IsoProp+H"	61.06479
"415887"	400.156288	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+Na+K"	61.952376
"777974"	584.746338	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+Na+K"	61.952376
"1675399"	215.566238	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Na+K"	61.952376
"260823"	802.375968	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+ACN+Na"	64.015768
"1231712"	433.195868	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+ACN+Na"	64.015768
"1716952"	433.219393	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+NH4+HCOOH"	64.039293
"1180122"	146.049251333333	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+3Na"	68.967654
"1656578"	438.174788	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Na+HCOOH"	68.994688
"165628"	815.27924	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+2K-H"	76.91904
"605187"	1184.45934	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+2K-H"	76.91904
"1090791"	446.09914	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2K-H"	76.91904
"146513"	408.143258	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"2M+2K"	77.926316
"587170"	592.733308	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"3M+2K"	77.926316
"1077147"	223.553208	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2K"	77.926316
"1108172"	448.113692	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2K+H"	78.933592
"1342370"	448.201307	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+DMSO+H"	79.021207
"1011992"	452.240476	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2ACN+H"	83.060376
"1526837"	453.234108	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+IsoProp+Na+H"	84.054008
"992189"	226.623876	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+2ACN+2H"	84.067652
"1588881"	454.148728	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+K+HCOOH"	84.968628
"1417822"	484.180238	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+H+CF3COOH"	115.000138
"1152485"	247.137151	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+3ACN+2H"	125.094202
"1702037"	501.206785	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+NH4+CF3COOH"	132.026685
"1642064"	506.16218	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+Na+CF3COOH"	136.98208
"1583182"	522.13612	"C11154"	"Trimetrexate"	"C19H23N5O3"	"369.1801"	"M+K+CF3COOH"	152.95602
"803708"	212.0685	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M"	0
"982709"	193.05011	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-H2O-H"	-19.01839
"69857"	140.371724	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M-3H"	-3.021828
"503948"	211.061224	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M-3H"	-3.021828
"881020"	69.682224	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-3H"	-3.021828
"5794"	211.061224	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M-2H"	-2.014552
"446448"	317.095474	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M-2H"	-2.014552
"820968"	105.026974	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-2H"	-2.014552
"81325"	423.129724	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M-H"	-1.007276
"529271"	635.198224	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M-H"	-1.007276
"902697"	211.061224	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-H"	-1.007276
"57072"	440.156271	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M-2H+NH4"	16.019271
"495540"	652.224771	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M-2H+NH4"	16.019271
"864842"	228.087771	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-2H+NH4"	16.019271
"34690"	445.111666	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M-2H+Na"	20.974666
"472063"	657.180166	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M-2H+Na"	20.974666
"856424"	233.043166	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-2H+Na"	20.974666
"1627050"	233.043166	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Na-2H"	20.974666
"101392"	229.049563	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M-H+Cl"	33.962126
"543140"	335.083813	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M-H+Cl"	33.962126
"936656"	123.015313	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-H+Cl"	33.962126
"267350"	459.106402	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+Cl"	34.969402
"660257"	671.174902	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+Cl"	34.969402
"1273027"	247.037902	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Cl"	34.969402
"19320"	461.085606	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M-2H+K"	36.948606
"470913"	673.154106	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M-2H+K"	36.948606
"843243"	249.017106	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-2H+K"	36.948606
"1568918"	249.017106	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+K-2H"	36.948606
"956803"	257.066694	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-H+HCOOH"	44.998194
"376817"	469.135201	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+HCOOH-H"	44.998201
"360249"	483.150851	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+Hac-H"	59.013851
"1507706"	271.082351	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Hac-H"	59.013851
"970548"	279.048651	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-H+NaCOOH"	66.980151
"118359"	247.037902	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+2Cl"	69.938804
"559377"	353.072152	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+2Cl"	69.938804
"1028174"	141.003652	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2Cl"	69.938804
"1247021"	290.987385	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Br"	78.918885
"1311291"	293.043372	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Cl+HCOOH"	80.974872
"1326604"	315.025329	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Cl+NaCOOH"	102.956829
"918757"	325.054086	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M-H+CF3COOH"	112.985586
"1296562"	361.030764	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Cl+CF3COOH"	148.962264
"1380557"	177.055824	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H-2H2O"	-35.012676
"1390765"	195.0658	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H-H2O"	-17.0027
"287534"	425.144276	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+H"	1.007276
"688708"	637.212776	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+H"	1.007276
"1365060"	213.075776	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H"	1.007276
"136854"	213.075776	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+2H"	2.014552
"573133"	319.110026	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+2H"	2.014552
"1041931"	107.041526	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2H"	2.014552
"207643"	142.386276	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+3H"	3.021828
"648296"	213.075776	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+3H"	3.021828
"1163383"	71.696776	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+3H"	3.021828
"427508"	442.170823	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+NH4"	18.033823
"786316"	654.239323	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+NH4"	18.033823
"1692492"	230.102323	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+NH4"	18.033823
"340776"	221.5890495	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+H+NH4"	19.041099
"735022"	327.6232995	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+H+NH4"	19.041099
"1489210"	115.5547995	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H+NH4"	19.041099
"404244"	447.126218	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+Na"	22.989218
"767426"	659.194718	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+Na"	22.989218
"1614792"	235.057718	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Na"	22.989218
"328111"	224.066747	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+H+Na"	23.996494
"721627"	330.100997	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+H+Na"	23.996494
"1475813"	118.032497	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H+Na"	23.996494
"1062134"	79.02409	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2H+Na"	25.00377
"1260531"	245.101986	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+CH3OH+H"	33.033486
"388948"	463.100158	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+K"	38.963158
"749944"	675.168658	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+K"	38.963158
"1551997"	251.031658	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+K"	38.963158
"305892"	232.053717	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+H+K"	39.970434
"700499"	338.087967	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+H+K"	39.970434
"1454317"	126.019467	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H+K"	39.970434
"236193"	466.170826	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+ACN+H"	42.033826
"1210885"	254.102326	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+ACN+H"	42.033826
"1195502"	127.554801	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+ACN+2H"	43.041102
"189459"	469.10816	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+2Na-H"	44.97116
"634135"	681.17666	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+2Na-H"	44.97116
"1139100"	257.03966	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2Na-H"	44.97116
"179838"	235.057718	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+2Na"	45.978436
"613153"	341.091968	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+2Na"	45.978436
"1119260"	129.023468	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2Na"	45.978436
"1400110"	86.351404	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H+2Na"	46.985712
"1439642"	259.081246	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H+HCOOH"	47.012746
"229339"	240.09074	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+3H2O+2H"	56.04448
"1521780"	273.13329	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+IsoProp+H"	61.06479
"421463"	243.044688	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+Na+K"	61.952376
"779177"	349.078938	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+Na+K"	61.952376
"1673320"	137.010438	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Na+K"	61.952376
"254736"	488.152768	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+ACN+Na"	64.015768
"1234738"	276.084268	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+ACN+Na"	64.015768
"1715969"	276.107793	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+NH4+HCOOH"	64.039293
"1181325"	93.678718	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+3Na"	68.967654
"1656688"	281.063188	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Na+HCOOH"	68.994688
"166831"	501.05604	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+2K-H"	76.91904
"605297"	713.12454	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+2K-H"	76.91904
"1089808"	288.98754	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2K-H"	76.91904
"146623"	251.031658	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"2M+2K"	77.926316
"588373"	357.065908	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"3M+2K"	77.926316
"1076164"	144.997408	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2K"	77.926316
"1106095"	291.002092	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2K+H"	78.933592
"1342480"	291.089707	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+DMSO+H"	79.021207
"1012102"	295.128876	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2ACN+H"	83.060376
"1526947"	296.122508	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+IsoProp+Na+H"	84.054008
"991206"	148.068076	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+2ACN+2H"	84.067652
"1587898"	297.037128	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+K+HCOOH"	84.968628
"1417932"	327.068638	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+H+CF3COOH"	115.000138
"1151502"	168.581351	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+3ACN+2H"	125.094202
"1702147"	344.095185	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+NH4+CF3COOH"	132.026685
"1642174"	349.05058	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+Na+CF3COOH"	136.98208
"1583292"	365.02452	"C11155"	"n-Propyl gallate;Propyl gallate"	"C10H12O5"	"212.0685"	"M+K+CF3COOH"	152.95602
"807098"	293.0931	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M"	0
"979539"	274.07471	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-H2O-H"	-19.01839
"69967"	194.388124	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M-3H"	-3.021828
"505151"	292.085824	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M-3H"	-3.021828
"885140"	96.690424	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-3H"	-3.021828
"9185"	292.085824	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M-2H"	-2.014552
"448745"	438.632374	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M-2H"	-2.014552
"824358"	145.539274	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-2H"	-2.014552
"84350"	585.178924	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M-H"	-1.007276
"529381"	878.272024	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M-H"	-1.007276
"900620"	292.085824	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-H"	-1.007276
"54995"	602.205471	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M-2H+NH4"	16.019271
"497836"	895.298571	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M-2H+NH4"	16.019271
"871262"	309.112371	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-2H+NH4"	16.019271
"39169"	607.160866	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M-2H+Na"	20.974666
"478729"	900.253966	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M-2H+Na"	20.974666
"857625"	314.067766	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-2H+Na"	20.974666
"1627157"	314.067766	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Na-2H"	20.974666
"99311"	310.074163	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M-H+Cl"	33.962126
"539965"	456.620713	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M-H+Cl"	33.962126
"930204"	163.527613	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-H+Cl"	33.962126
"267463"	621.155602	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+Cl"	34.969402
"660125"	914.248702	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+Cl"	34.969402
"1272974"	328.062502	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Cl"	34.969402
"19430"	623.134806	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M-2H+K"	36.948606
"470701"	916.227906	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M-2H+K"	36.948606
"843354"	330.041706	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-2H+K"	36.948606
"1566842"	330.041706	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+K-2H"	36.948606
"956185"	338.091294	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-H+HCOOH"	44.998194
"376471"	631.184401	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+HCOOH-H"	44.998201
"361208"	645.200051	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+Hac-H"	59.013851
"1506759"	352.106951	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Hac-H"	59.013851
"973817"	360.073251	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-H+NaCOOH"	66.980151
"122480"	328.062502	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+2Cl"	69.938804
"554747"	474.609052	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+2Cl"	69.938804
"1028283"	181.515952	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2Cl"	69.938804
"1247861"	372.011985	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Br"	78.918885
"1312496"	374.067972	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Cl+HCOOH"	80.974872
"1325622"	396.049929	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Cl+NaCOOH"	102.956829
"918867"	406.078686	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M-H+CF3COOH"	112.985586
"1295579"	442.055364	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Cl+CF3COOH"	148.962264
"1380667"	258.080424	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H-2H2O"	-35.012676
"1387959"	276.0904	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H-H2O"	-17.0027
"285458"	587.193476	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+H"	1.007276
"688818"	880.286576	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+H"	1.007276
"1365170"	294.100376	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H"	1.007276
"138057"	294.100376	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+2H"	2.014552
"574336"	440.646926	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+2H"	2.014552
"1043134"	147.553826	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2H"	2.014552
"207753"	196.402676	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+3H"	3.021828
"647313"	294.100376	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+3H"	3.021828
"1163735"	98.704976	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+3H"	3.021828
"426525"	604.220023	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+NH4"	18.033823
"786547"	897.313123	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+NH4"	18.033823
"1693696"	311.126923	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+NH4"	18.033823
"340886"	302.6136495	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+H+NH4"	19.041099
"733310"	449.1601995	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+H+NH4"	19.041099
"1490413"	156.0670995	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H+NH4"	19.041099
"402531"	609.175418	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+Na"	22.989218
"766806"	902.268518	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+Na"	22.989218
"1614902"	316.082318	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Na"	22.989218
"327493"	305.091347	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+H+Na"	23.996494
"720520"	451.637897	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+H+Na"	23.996494
"1475194"	158.544797	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H+Na"	23.996494
"1060057"	106.03229	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2H+Na"	25.00377
"1258816"	326.126586	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+CH3OH+H"	33.033486
"385777"	625.149358	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+K"	38.963158
"745679"	918.242458	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+K"	38.963158
"1549919"	332.056258	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+K"	38.963158
"309283"	313.078317	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+H+K"	39.970434
"699514"	459.624867	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+H+K"	39.970434
"1451146"	166.531767	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H+K"	39.970434
"237191"	628.220026	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+ACN+H"	42.033826
"1210268"	335.126926	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+ACN+H"	42.033826
"1196341"	168.067101	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+ACN+2H"	43.041102
"188760"	631.15736	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+2Na-H"	44.97116
"628607"	924.25046	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+2Na-H"	44.97116
"1131358"	338.06426	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2Na-H"	44.97116
"174235"	316.082318	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+2Na"	45.978436
"617321"	462.628868	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+2Na"	45.978436
"1123012"	169.535768	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2Na"	45.978436
"1401434"	113.359604	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H+2Na"	46.985712
"1439752"	340.105846	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H+HCOOH"	47.012746
"230542"	321.11534	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+3H2O+2H"	56.04448
"1523591"	354.15789	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+IsoProp+H"	61.06479
"421573"	324.069288	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+Na+K"	61.952376
"780380"	470.615838	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+Na+K"	61.952376
"1675616"	177.522738	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Na+K"	61.952376
"257763"	650.201968	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+ACN+Na"	64.015768
"1230472"	357.108868	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+ACN+Na"	64.015768
"1716077"	357.132393	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+NH4+HCOOH"	64.039293
"1179287"	120.686918	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+3Na"	68.967654
"1656798"	362.087788	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Na+HCOOH"	68.994688
"161837"	663.10524	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+2K-H"	76.91904
"605407"	956.19834	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+2K-H"	76.91904
"1088825"	370.01214	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2K-H"	76.91904
"145640"	332.056258	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"2M+2K"	77.926316
"585200"	478.602808	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"3M+2K"	77.926316
"1074087"	185.509708	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2K"	77.926316
"1106205"	372.026692	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2K+H"	78.933592
"1343683"	372.114307	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+DMSO+H"	79.021207
"1008932"	376.153476	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2ACN+H"	83.060376
"1525234"	377.147108	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+IsoProp+Na+H"	84.054008
"990466"	188.580376	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+2ACN+2H"	84.067652
"1589100"	378.061728	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+K+HCOOH"	84.968628
"1418042"	408.093238	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+H+CF3COOH"	115.000138
"1153798"	209.093651	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+3ACN+2H"	125.094202
"1697883"	425.119785	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+NH4+CF3COOH"	132.026685
"1642284"	430.07518	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+Na+CF3COOH"	136.98208
"1583402"	446.04912	"C11156"	"Triadimefon"	"C14H16ClN3O2"	"293.0931"	"M+K+CF3COOH"	152.95602
"803928"	421.1638	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M"	0
"977462"	402.14541	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-H2O-H"	-19.01839
"66797"	279.768590666667	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M-3H"	-3.021828
"505260"	420.156524	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M-3H"	-3.021828
"884154"	139.380657333333	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-3H"	-3.021828
"8200"	420.156524	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M-2H"	-2.014552
"444481"	630.738424	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M-2H"	-2.014552
"821187"	209.574624	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-2H"	-2.014552
"80452"	841.320324	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M-H"	-1.007276
"529491"	1262.484124	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M-H"	-1.007276
"900729"	420.156524	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-H"	-1.007276
"52918"	858.346871	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M-2H+NH4"	16.019271
"493572"	1279.510671	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M-2H+NH4"	16.019271
"872466"	437.183071	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-2H+NH4"	16.019271
"39279"	863.302266	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M-2H+Na"	20.974666
"479932"	1284.466066	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M-2H+Na"	20.974666
"857735"	442.138466	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-2H+Na"	20.974666
"1627267"	442.138466	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Na-2H"	20.974666
"99421"	438.144863	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M-H+Cl"	33.962126
"540075"	648.726763	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M-H+Cl"	33.962126
"931408"	227.562963	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-H+Cl"	33.962126
"268018"	877.297002	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+Cl"	34.969402
"666765"	1298.460802	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+Cl"	34.969402
"1273332"	456.133202	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Cl"	34.969402
"23913"	879.276206	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M-2H+K"	36.948606
"470649"	1300.440006	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M-2H+K"	36.948606
"846748"	458.112406	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-2H+K"	36.948606
"1569141"	458.112406	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+K-2H"	36.948606
"958127"	466.161994	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-H+HCOOH"	44.998194
"376459"	887.325801	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+HCOOH-H"	44.998201
"359863"	901.341451	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+Hac-H"	59.013851
"1507240"	480.177651	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Hac-H"	59.013851
"972226"	488.143951	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-H+NaCOOH"	66.980151
"124049"	456.133202	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+2Cl"	69.938804
"557408"	666.715102	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+2Cl"	69.938804
"1029486"	245.551302	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2Cl"	69.938804
"1246877"	500.082685	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Br"	78.918885
"1312606"	502.138672	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Cl+HCOOH"	80.974872
"1330105"	524.120629	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Cl+NaCOOH"	102.956829
"916789"	534.149386	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M-H+CF3COOH"	112.985586
"1295689"	570.126064	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Cl+CF3COOH"	148.962264
"1378224"	386.151124	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H-2H2O"	-35.012676
"1386243"	404.1611	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H-H2O"	-17.0027
"286661"	843.334876	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+H"	1.007276
"687835"	1264.498676	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+H"	1.007276
"1365280"	422.171076	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H"	1.007276
"138167"	422.171076	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+2H"	2.014552
"577728"	632.752976	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+2H"	2.014552
"1044339"	211.589176	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2H"	2.014552
"208956"	281.783142666667	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+3H"	3.021828
"648516"	422.171076	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+3H"	3.021828
"1171016"	141.395209333333	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+3H"	3.021828
"424805"	860.361423	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+NH4"	18.033823
"786409"	1281.525223	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+NH4"	18.033823
"1689430"	439.197623	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+NH4"	18.033823
"342455"	430.6843495	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+H+NH4"	19.041099
"735603"	641.2662495	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+H+NH4"	19.041099
"1488335"	220.1024495	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H+NH4"	19.041099
"401547"	865.316818	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+Na"	22.989218
"767888"	1286.480618	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+Na"	22.989218
"1617081"	444.153018	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Na"	22.989218
"325054"	433.162047	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+H+Na"	23.996494
"720389"	643.743947	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+H+Na"	23.996494
"1475915"	222.580147	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H+Na"	23.996494
"1054333"	148.722523333333	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2H+Na"	25.00377
"1258319"	454.197286	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+CH3OH+H"	33.033486
"380421"	881.290758	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+K"	38.963158
"744696"	1302.454558	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+K"	38.963158
"1547843"	460.126958	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+K"	38.963158
"305018"	441.149017	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+H+K"	39.970434
"700719"	651.730917	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+H+K"	39.970434
"1449069"	230.567117	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H+K"	39.970434
"237302"	884.361426	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+ACN+H"	42.033826
"1211102"	463.197626	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+ACN+H"	42.033826
"1195357"	232.102451	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+ACN+2H"	43.041102
"188834"	887.29876	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+2Na-H"	44.97116
"630210"	1308.46256	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+2Na-H"	44.97116
"1132391"	466.13496	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2Na-H"	44.97116
"174588"	444.153018	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+2Na"	45.978436
"614636"	654.734918	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+2Na"	45.978436
"1117655"	233.571118	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2Na"	45.978436
"1401545"	156.049837333333	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H+2Na"	46.985712
"1436582"	468.176546	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H+HCOOH"	47.012746
"230652"	449.18604	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+3H2O+2H"	56.04448
"1518718"	482.22859	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+IsoProp+H"	61.06479
"415120"	452.139988	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+Na+K"	61.952376
"775022"	662.721888	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+Na+K"	61.952376
"1675726"	241.558088	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Na+K"	61.952376
"256779"	906.343368	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+ACN+Na"	64.015768
"1230582"	485.179568	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+ACN+Na"	64.015768
"1715458"	485.203093	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+NH4+HCOOH"	64.039293
"1182636"	163.377151333333	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+3Na"	68.967654
"1656908"	490.158488	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Na+HCOOH"	68.994688
"163040"	919.24664	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+2K-H"	76.91904
"603330"	1340.41044	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+2K-H"	76.91904
"1088935"	498.08284	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2K-H"	76.91904
"144656"	460.126958	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"2M+2K"	77.926316
"585310"	670.708858	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"3M+2K"	77.926316
"1073104"	249.545058	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2K"	77.926316
"1105217"	500.097392	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2K+H"	78.933592
"1340512"	500.185007	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+DMSO+H"	79.021207
"1009042"	504.224176	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2ACN+H"	83.060376
"1525341"	505.217808	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+IsoProp+Na+H"	84.054008
"991427"	252.615726	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+2ACN+2H"	84.067652
"1588116"	506.132428	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+K+HCOOH"	84.968628
"1414505"	536.163938	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+H+CF3COOH"	115.000138
"1148562"	273.129001	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+3ACN+2H"	125.094202
"1698114"	553.190485	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+NH4+CF3COOH"	132.026685
"1642394"	558.14588	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+Na+CF3COOH"	136.98208
"1583512"	574.11982	"C11158"	"Topotecan"	"C23H23N3O5"	"421.1638"	"M+K+CF3COOH"	152.95602
"812787"	313.9143	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M"	0
"979759"	294.89591	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-H2O-H"	-19.01839
"65814"	208.268924	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M-3H"	-3.021828
"516309"	312.907024	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M-3H"	-3.021828
"885361"	103.630824	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-3H"	-3.021828
"8312"	312.907024	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M-2H"	-2.014552
"445685"	469.864174	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M-2H"	-2.014552
"820204"	155.949874	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-2H"	-2.014552
"80926"	626.821324	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M-H"	-1.007276
"529601"	940.735624	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M-H"	-1.007276
"900839"	312.907024	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-H"	-1.007276
"51935"	643.847871	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M-2H+NH4"	16.019271
"493682"	957.762171	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M-2H+NH4"	16.019271
"872576"	329.933571	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-2H+NH4"	16.019271
"39389"	648.803266	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M-2H+Na"	20.974666
"480042"	962.717566	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M-2H+Na"	20.974666
"857845"	334.888966	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-2H+Na"	20.974666
"1631386"	334.888966	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Na-2H"	20.974666
"99531"	330.895363	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M-H+Cl"	33.962126
"542371"	487.852513	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M-H+Cl"	33.962126
"933705"	173.938213	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-H+Cl"	33.962126
"270076"	662.798002	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+Cl"	34.969402
"666875"	976.712302	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+Cl"	34.969402
"1286574"	348.883702	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Cl"	34.969402
"30350"	664.777206	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M-2H+K"	36.948606
"471125"	978.691506	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M-2H+K"	36.948606
"848197"	350.862906	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-2H+K"	36.948606
"1567794"	350.862906	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+K-2H"	36.948606
"958193"	358.912494	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-H+HCOOH"	44.998194
"376896"	672.826801	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+HCOOH-H"	44.998201
"360332"	686.842451	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+Hac-H"	59.013851
"1507956"	372.928151	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Hac-H"	59.013851
"972700"	380.894451	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-H+NaCOOH"	66.980151
"123794"	348.883702	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+2Cl"	69.938804
"561534"	505.840852	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+2Cl"	69.938804
"1029601"	191.926552	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2Cl"	69.938804
"1254648"	392.833185	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Br"	78.918885
"1318190"	394.889172	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Cl+HCOOH"	80.974872
"1326937"	416.871129	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Cl+NaCOOH"	102.956829
"917993"	426.899886	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M-H+CF3COOH"	112.985586
"1299083"	462.876564	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Cl+CF3COOH"	148.962264
"1379431"	278.901624	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H-2H2O"	-35.012676
"1388178"	296.9116	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H-H2O"	-17.0027
"288958"	628.835876	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+H"	1.007276
"691232"	942.750176	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+H"	1.007276
"1366996"	314.921576	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H"	1.007276
"141076"	314.921576	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+2H"	2.014552
"580027"	471.878726	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+2H"	2.014552
"1048824"	157.964426	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2H"	2.014552
"210162"	210.283476	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+3H"	3.021828
"651910"	314.921576	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+3H"	3.021828
"1165659"	105.645376	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+3H"	3.021828
"425282"	645.862423	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+NH4"	18.033823
"786518"	959.776723	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+NH4"	18.033823
"1689540"	331.948123	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+NH4"	18.033823
"343293"	323.4348495	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+H+NH4"	19.041099
"735713"	480.3919995	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+H+NH4"	19.041099
"1489540"	166.4776995	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H+NH4"	19.041099
"403847"	650.817818	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+Na"	22.989218
"767757"	964.732118	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+Na"	22.989218
"1617676"	336.903518	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Na"	22.989218
"329299"	325.912547	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+H+Na"	23.996494
"722569"	482.869697	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+H+Na"	23.996494
"1464843"	168.955397	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H+Na"	23.996494
"1061369"	112.97269	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2H+Na"	25.00377
"1260861"	346.947786	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+CH3OH+H"	33.033486
"381624"	666.791758	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+K"	38.963158
"743712"	980.706058	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+K"	38.963158
"1543576"	352.877458	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+K"	38.963158
"302941"	333.899517	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+H+K"	39.970434
"696454"	490.856667	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+H+K"	39.970434
"1449180"	176.942367	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H+K"	39.970434
"237778"	669.862426	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+ACN+H"	42.033826
"1215959"	355.948126	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+ACN+H"	42.033826
"1196198"	178.477701	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+ACN+2H"	43.041102
"193810"	672.79976	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+2Na-H"	44.97116
"634831"	986.71406	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+2Na-H"	44.97116
"1132137"	358.88546	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2Na-H"	44.97116
"176887"	336.903518	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+2Na"	45.978436
"617906"	493.860668	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+2Na"	45.978436
"1122140"	179.946368	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2Na"	45.978436
"1404571"	120.300004	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H+2Na"	46.985712
"1436692"	360.927046	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H+HCOOH"	47.012746
"229670"	341.93654	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+3H2O+2H"	56.04448
"1518463"	374.97909	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+IsoProp+H"	61.06479
"416323"	344.890488	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+Na+K"	61.952376
"775132"	501.847638	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+Na+K"	61.952376
"1667088"	187.933338	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Na+K"	61.952376
"260171"	691.844368	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+ACN+Na"	64.015768
"1231787"	377.930068	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+ACN+Na"	64.015768
"1718486"	377.953593	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+NH4+HCOOH"	64.039293
"1184935"	127.627318	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+3Na"	68.967654
"1657018"	382.908988	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Na+HCOOH"	68.994688
"162057"	704.74764	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+2K-H"	76.91904
"603440"	1018.66194	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+2K-H"	76.91904
"1087951"	390.83334	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2K-H"	76.91904
"148048"	352.877458	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"2M+2K"	77.926316
"591982"	509.834608	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"3M+2K"	77.926316
"1076495"	195.920308	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2K"	77.926316
"1108610"	392.847892	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2K+H"	78.933592
"1341716"	392.935507	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+DMSO+H"	79.021207
"1012432"	396.974676	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2ACN+H"	83.060376
"1529463"	397.968308	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+IsoProp+Na+H"	84.054008
"992631"	198.990976	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+2ACN+2H"	84.067652
"1590410"	398.882928	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+K+HCOOH"	84.968628
"1425919"	428.914438	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+H+CF3COOH"	115.000138
"1155112"	219.504251	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+3ACN+2H"	125.094202
"1699196"	445.940985	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+NH4+CF3COOH"	132.026685
"1642504"	450.89638	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+Na+CF3COOH"	136.98208
"1583622"	466.87032	"C11159"	"Tiron;12-Dihydroxybenzene-35-disulfonic acid disodium salt"	"C6H4O8S22Na"	"313.9143"	"M+K+CF3COOH"	152.95602
"807428"	239.9883	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M"	0
"980962"	220.96991	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-H2O-H"	-19.01839
"74671"	158.984924	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M-3H"	-3.021828
"507668"	238.981024	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M-3H"	-3.021828
"883282"	78.988824	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-3H"	-3.021828
"9514"	238.981024	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M-2H"	-2.014552
"447981"	358.975174	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M-2H"	-2.014552
"820314"	118.986874	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-2H"	-2.014552
"80672"	478.969324	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M-H"	-1.007276
"530804"	718.957624	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M-H"	-1.007276
"898761"	238.981024	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-H"	-1.007276
"50585"	495.995871	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M-2H+NH4"	16.019271
"491605"	735.984171	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M-2H+NH4"	16.019271
"872686"	256.007571	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-2H+NH4"	16.019271
"41686"	500.951266	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M-2H+Na"	20.974666
"480152"	740.939566	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M-2H+Na"	20.974666
"863423"	260.962966	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-2H+Na"	20.974666
"1629673"	260.962966	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Na-2H"	20.974666
"99641"	256.969363	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M-H+Cl"	33.962126
"540295"	376.963513	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M-H+Cl"	33.962126
"940377"	136.975213	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-H+Cl"	33.962126
"273467"	514.946002	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+Cl"	34.969402
"670265"	754.934302	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+Cl"	34.969402
"1287778"	274.957702	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Cl"	34.969402
"31318"	516.925206	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M-2H+K"	36.948606
"471191"	756.913506	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M-2H+K"	36.948606
"848315"	276.936906	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-2H+K"	36.948606
"1570701"	276.936906	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+K-2H"	36.948606
"956880"	284.986494	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-H+HCOOH"	44.998194
"376800"	524.974801	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+HCOOH-H"	44.998201
"360684"	538.990451	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+Hac-H"	59.013851
"1506000"	299.002151	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Hac-H"	59.013851
"971355"	306.968451	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-H+NaCOOH"	66.980151
"124270"	274.957702	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+2Cl"	69.938804
"563466"	394.951852	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+2Cl"	69.938804
"1028619"	154.963552	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2Cl"	69.938804
"1252574"	318.907185	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Br"	78.918885
"1316114"	320.963172	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Cl+HCOOH"	80.974872
"1325954"	342.945129	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Cl+NaCOOH"	102.956829
"917738"	352.973886	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M-H+CF3COOH"	112.985586
"1299193"	388.950564	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Cl+CF3COOH"	148.962264
"1377355"	204.975624	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H-2H2O"	-35.012676
"1385008"	222.9856	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H-H2O"	-17.0027
"289068"	480.983876	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+H"	1.007276
"691098"	720.972176	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+H"	1.007276
"1366227"	240.995576	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H"	1.007276
"135106"	240.995576	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+2H"	2.014552
"573571"	360.989726	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+2H"	2.014552
"1041276"	121.001426	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2H"	2.014552
"206256"	160.999476	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+3H"	3.021828
"644963"	240.995576	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+3H"	3.021828
"1165765"	81.003376	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+3H"	3.021828
"427213"	498.010423	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+NH4"	18.033823
"788209"	737.998723	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+NH4"	18.033823
"1689650"	258.022123	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+NH4"	18.033823
"341217"	249.5088495	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+H+NH4"	19.041099
"734730"	369.5029995	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+H+NH4"	19.041099
"1491107"	129.5146995	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H+NH4"	19.041099
"403957"	502.965818	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+Na"	22.989218
"767867"	742.954118	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+Na"	22.989218
"1618109"	262.977518	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Na"	22.989218
"329886"	251.986547	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+H+Na"	23.996494
"722681"	371.980697	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+H+Na"	23.996494
"1464953"	131.992397	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H+Na"	23.996494
"1061481"	88.33069	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2H+Na"	25.00377
"1259514"	273.021786	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+CH3OH+H"	33.033486
"379545"	518.939758	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+K"	38.963158
"743823"	758.928058	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+K"	38.963158
"1542960"	278.951458	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+K"	38.963158
"300865"	259.973517	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+H+K"	39.970434
"696567"	379.967667	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+H+K"	39.970434
"1454759"	139.979367	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H+K"	39.970434
"241172"	522.010426	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+ACN+H"	42.033826
"1219356"	282.022126	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+ACN+H"	42.033826
"1199957"	141.514701	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+ACN+2H"	43.041102
"196109"	524.94776	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+2Na-H"	44.97116
"637857"	764.93606	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+2Na-H"	44.97116
"1134801"	284.95946	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2Na-H"	44.97116
"180277"	262.977518	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+2Na"	45.978436
"620932"	382.971668	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+2Na"	45.978436
"1121887"	142.983368	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2Na"	45.978436
"1400671"	95.658004	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H+2Na"	46.985712
"1440450"	287.001046	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H+HCOOH"	47.012746
"233794"	268.01054	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+3H2O+2H"	56.04448
"1518937"	301.05309	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+IsoProp+H"	61.06479
"420448"	270.964488	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+Na+K"	61.952376
"782536"	390.958638	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+Na+K"	61.952376
"1677043"	150.970338	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Na+K"	61.952376
"259188"	543.992368	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+ACN+Na"	64.015768
"1235178"	304.004068	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+ACN+Na"	64.015768
"1722972"	304.027593	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+NH4+HCOOH"	64.039293
"1185048"	102.985318	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+3Na"	68.967654
"1657493"	308.982988	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Na+HCOOH"	68.994688
"165083"	556.89564	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+2K-H"	76.91904
"607928"	796.88394	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+2K-H"	76.91904
"1092437"	316.90734	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2K-H"	76.91904
"148160"	278.951458	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"2M+2K"	77.926316
"583346"	398.945608	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"3M+2K"	77.926316
"1074421"	158.957308	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2K"	77.926316
"1101070"	318.921892	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2K+H"	78.933592
"1338546"	319.009507	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+DMSO+H"	79.021207
"1010357"	323.048676	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2ACN+H"	83.060376
"1528482"	324.042308	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+IsoProp+Na+H"	84.054008
"991649"	162.027976	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+2ACN+2H"	84.067652
"1593807"	324.956928	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+K+HCOOH"	84.968628
"1422748"	354.988438	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+H+CF3COOH"	115.000138
"1154129"	182.541251	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+3ACN+2H"	125.094202
"1698213"	372.014985	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+NH4+CF3COOH"	132.026685
"1642614"	376.97038	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+Na+CF3COOH"	136.98208
"1583732"	392.94432	"C11160"	"Thiram;Tetramethylthioperoxydicarbonic diamide"	"C6H12N2S4"	"239.9883"	"M+K+CF3COOH"	152.95602
"805351"	393.0841	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M"	0
"979979"	374.06571	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-H2O-H"	-19.01839
"70407"	261.048790666667	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M-3H"	-3.021828
"507778"	392.076824	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M-3H"	-3.021828
"880067"	130.020757333333	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-3H"	-3.021828
"6344"	392.076824	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M-2H"	-2.014552
"444810"	588.618874	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M-2H"	-2.014552
"818599"	195.534774	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-2H"	-2.014552
"78959"	785.160924	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M-H"	-1.007276
"518715"	1178.245024	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M-H"	-1.007276
"897411"	392.076824	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-H"	-1.007276
"51059"	802.187471	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M-2H+NH4"	16.019271
"488794"	1195.271571	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M-2H+NH4"	16.019271
"865868"	409.103371	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-2H+NH4"	16.019271
"33042"	807.142866	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M-2H+Na"	20.974666
"481354"	1200.226966	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M-2H+Na"	20.974666
"852595"	414.058766	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-2H+Na"	20.974666
"1626503"	414.058766	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Na-2H"	20.974666
"100844"	410.065163	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M-H+Cl"	33.962126
"540405"	606.607213	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M-H+Cl"	33.962126
"937206"	213.523113	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-H+Cl"	33.962126
"271388"	821.137602	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+Cl"	34.969402
"667095"	1214.221702	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+Cl"	34.969402
"1286430"	428.053502	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Cl"	34.969402
"31414"	823.116806	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M-2H+K"	36.948606
"471371"	1216.200906	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M-2H+K"	36.948606
"848456"	430.032706	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-2H+K"	36.948606
"1570566"	430.032706	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+K-2H"	36.948606
"956990"	438.082294	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-H+HCOOH"	44.998194
"376752"	831.166401	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+HCOOH-H"	44.998201
"360793"	845.182051	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+Hac-H"	59.013851
"1505748"	452.097951	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Hac-H"	59.013851
"971102"	460.064251	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-H+NaCOOH"	66.980151
"124011"	428.053502	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+2Cl"	69.938804
"562849"	624.595552	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+2Cl"	69.938804
"1036019"	231.511452	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2Cl"	69.938804
"1253413"	472.002985	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Br"	78.918885
"1316223"	474.058972	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Cl+HCOOH"	80.974872
"1326064"	496.040929	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Cl+NaCOOH"	102.956829
"916027"	506.069686	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M-H+CF3COOH"	112.985586
"1301489"	542.046364	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Cl+CF3COOH"	148.962264
"1374184"	358.071424	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H-2H2O"	-35.012676
"1385115"	376.0814	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H-H2O"	-17.0027
"283588"	787.175476	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+H"	1.007276
"690841"	1180.259576	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+H"	1.007276
"1364514"	394.091376	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H"	1.007276
"136308"	394.091376	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+2H"	2.014552
"574774"	590.633426	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+2H"	2.014552
"1041386"	197.549326	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2H"	2.014552
"208192"	263.063342666667	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+3H"	3.021828
"645928"	394.091376	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+3H"	3.021828
"1164783"	132.035309333333	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+3H"	3.021828
"428050"	804.202023	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+NH4"	18.033823
"786866"	1197.286123	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+NH4"	18.033823
"1686479"	411.117923	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+NH4"	18.033823
"341327"	402.6046495	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+H+NH4"	19.041099
"734840"	599.1466995	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+H+NH4"	19.041099
"1491945"	206.0625995	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H+NH4"	19.041099
"406617"	809.157418	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+Na"	22.989218
"767859"	1202.241518	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+Na"	22.989218
"1618060"	416.073318	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Na"	22.989218
"327936"	405.082347	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+H+Na"	23.996494
"721453"	601.624397	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+H+Na"	23.996494
"1466160"	208.540297	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H+Na"	23.996494
"1060497"	139.362623333333	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2H+Na"	25.00377
"1262176"	426.117586	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+CH3OH+H"	33.033486
"378929"	825.131358	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+K"	38.963158
"740287"	1218.215458	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+K"	38.963158
"1542341"	432.047258	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+K"	38.963158
"300246"	413.069317	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+H+K"	39.970434
"695584"	609.611367	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+H+K"	39.970434
"1453777"	216.527267	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H+K"	39.970434
"237274"	828.202026	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+ACN+H"	42.033826
"1220559"	435.117926	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+ACN+H"	42.033826
"1200067"	218.062601	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+ACN+2H"	43.041102
"196219"	831.13936	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+2Na-H"	44.97116
"639061"	1224.22346	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+2Na-H"	44.97116
"1142567"	438.05526	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2Na-H"	44.97116
"183672"	416.073318	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+2Na"	45.978436
"623230"	612.615368	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+2Na"	45.978436
"1124549"	219.531268	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2Na"	45.978436
"1401145"	146.689937333333	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H+2Na"	46.985712
"1440195"	440.096846	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H+HCOOH"	47.012746
"231716"	421.10634	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+3H2O+2H"	56.04448
"1519412"	454.14889	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+IsoProp+H"	61.06479
"420558"	424.060288	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+Na+K"	61.952376
"782281"	620.602338	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+Na+K"	61.952376
"1676059"	227.518238	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Na+K"	61.952376
"256018"	850.183968	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+ACN+Na"	64.015768
"1233101"	457.099868	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+ACN+Na"	64.015768
"1721988"	457.123393	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+NH4+HCOOH"	64.039293
"1185157"	154.017251333333	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+3Na"	68.967654
"1654323"	462.078788	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Na+HCOOH"	68.994688
"162277"	863.08724	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+2K-H"	76.91904
"608037"	1256.17134	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+2K-H"	76.91904
"1092547"	470.00314	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2K-H"	76.91904
"148270"	432.047258	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"2M+2K"	77.926316
"588924"	628.589308	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"3M+2K"	77.926316
"1075624"	235.505208	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2K"	77.926316
"1100688"	472.017692	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2K+H"	78.933592
"1336223"	472.105307	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+DMSO+H"	79.021207
"1006456"	476.144476	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2ACN+H"	83.060376
"1530779"	477.138108	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+IsoProp+Na+H"	84.054008
"993946"	238.575876	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+2ACN+2H"	84.067652
"1593917"	478.052728	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+K+HCOOH"	84.968628
"1423952"	508.084238	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+H+CF3COOH"	115.000138
"1154239"	259.089151	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+3ACN+2H"	125.094202
"1697470"	525.110785	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+NH4+CF3COOH"	132.026685
"1642724"	530.06618	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+Na+CF3COOH"	136.98208
"1583842"	546.04012	"C11161"	"Ethidium bromide;Homidium bromide"	"C21H20N3Br"	"393.0841"	"M+K+CF3COOH"	152.95602
"804368"	494.1213	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M"	0
"977901"	475.10291	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-H2O-H"	-19.01839
"66506"	328.406924	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M-3H"	-3.021828
"506795"	493.114024	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M-3H"	-3.021828
"880152"	163.699824	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-3H"	-3.021828
"6454"	493.114024	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M-2H"	-2.014552
"441640"	740.174674	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M-2H"	-2.014552
"818950"	246.053374	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-2H"	-2.014552
"78825"	987.235324	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M-H"	-1.007276
"519595"	1481.356624	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M-H"	-1.007276
"897278"	493.114024	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-H"	-1.007276
"51168"	1004.261871	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M-2H+NH4"	16.019271
"489631"	1498.383171	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M-2H+NH4"	16.019271
"867070"	510.140571	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-2H+NH4"	16.019271
"33152"	1009.217266	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M-2H+Na"	20.974666
"481464"	1503.338566	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M-2H+Na"	20.974666
"852705"	515.095966	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-2H+Na"	20.974666
"1626613"	515.095966	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Na-2H"	20.974666
"100954"	511.102363	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M-H+Cl"	33.962126
"541608"	758.163013	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M-H+Cl"	33.962126
"937316"	264.041713	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-H+Cl"	33.962126
"270404"	1023.212002	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+Cl"	34.969402
"667205"	1517.333302	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+Cl"	34.969402
"1274139"	529.090702	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Cl"	34.969402
"31047"	1025.191206	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M-2H+K"	36.948606
"471219"	1519.312506	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M-2H+K"	36.948606
"847920"	531.069906	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-2H+K"	36.948606
"1569583"	531.069906	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+K-2H"	36.948606
"956736"	539.119494	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-H+HCOOH"	44.998194
"376292"	1033.240801	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+HCOOH-H"	44.998201
"360296"	1047.256451	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+Hac-H"	59.013851
"1505491"	553.135151	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Hac-H"	59.013851
"973030"	561.101451	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-H+NaCOOH"	66.980151
"123756"	529.090702	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+2Cl"	69.938804
"564659"	776.151352	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+2Cl"	69.938804
"1036372"	282.030052	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2Cl"	69.938804
"1253523"	573.040185	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Br"	78.918885
"1314147"	575.096172	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Cl+HCOOH"	80.974872
"1323987"	597.078129	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Cl+NaCOOH"	102.956829
"915408"	607.106886	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M-H+CF3COOH"	112.985586
"1301600"	643.083564	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Cl+CF3COOH"	148.962264
"1374294"	459.108624	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H-2H2O"	-35.012676
"1383401"	477.1186	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H-H2O"	-17.0027
"283451"	989.249876	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+H"	1.007276
"689370"	1483.371176	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+H"	1.007276
"1361342"	495.128576	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H"	1.007276
"135325"	495.128576	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+2H"	2.014552
"573791"	742.189226	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+2H"	2.014552
"1040037"	248.067926	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2H"	2.014552
"205018"	330.421476	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+3H"	3.021828
"644817"	495.128576	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+3H"	3.021828
"1164164"	165.714376	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+3H"	3.021828
"425002"	1006.276423	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+NH4"	18.033823
"786976"	1500.397723	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+NH4"	18.033823
"1686589"	512.155123	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+NH4"	18.033823
"338153"	503.6418495	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+H+NH4"	19.041099
"724011"	750.7024995	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+H+NH4"	19.041099
"1490962"	256.5811995	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H+NH4"	19.041099
"405269"	1011.231818	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+Na"	22.989218
"769058"	1505.353118	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+Na"	22.989218
"1618423"	517.110518	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Na"	22.989218
"328410"	506.119547	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+H+Na"	23.996494
"721196"	753.180197	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+H+Na"	23.996494
"1465178"	259.058897	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H+Na"	23.996494
"1057329"	173.04169	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2H+Na"	25.00377
"1258149"	527.154786	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+CH3OH+H"	33.033486
"377817"	1027.205758	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+K"	38.963158
"738939"	1521.327058	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+K"	38.963158
"1543545"	533.084458	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+K"	38.963158
"302542"	514.106517	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+H+K"	39.970434
"696059"	761.167167	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+H+K"	39.970434
"1451699"	267.045867	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H+K"	39.970434
"238476"	1030.276426	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+ACN+H"	42.033826
"1210449"	536.155126	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+ACN+H"	42.033826
"1194296"	268.581201	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+ACN+2H"	43.041102
"188564"	1033.21376	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+2Na-H"	44.97116
"628599"	1527.33506	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+2Na-H"	44.97116
"1131498"	539.09246	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2Na-H"	44.97116
"186334"	517.110518	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+2Na"	45.978436
"623341"	764.171168	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+2Na"	45.978436
"1121012"	270.049868	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2Na"	45.978436
"1400526"	180.369004	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H+2Na"	46.985712
"1441400"	541.134046	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H+HCOOH"	47.012746
"234015"	522.14354	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+3H2O+2H"	56.04448
"1518793"	555.18609	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+IsoProp+H"	61.06479
"419941"	525.097488	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+Na+K"	61.952376
"780205"	772.158138	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+Na+K"	61.952376
"1677629"	278.036838	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Na+K"	61.952376
"256128"	1052.258368	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+ACN+Na"	64.015768
"1239773"	558.137068	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+ACN+Na"	64.015768
"1724285"	558.160593	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+NH4+HCOOH"	64.039293
"1190736"	187.696318	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+3Na"	68.967654
"1657348"	563.115988	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Na+HCOOH"	68.994688
"168585"	1065.16164	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+2K-H"	76.91904
"609972"	1559.28294	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+2K-H"	76.91904
"1097036"	571.04034	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2K-H"	76.91904
"153485"	533.084458	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"2M+2K"	77.926316
"592317"	780.145108	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"3M+2K"	77.926316
"1079015"	286.023808	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2K"	77.926316
"1102383"	573.054892	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2K+H"	78.933592
"1338767"	573.142507	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+DMSO+H"	79.021207
"1007538"	577.181676	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2ACN+H"	83.060376
"1531982"	578.175308	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+IsoProp+Na+H"	84.054008
"994056"	289.094476	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+2ACN+2H"	84.067652
"1595120"	579.089928	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+K+HCOOH"	84.968628
"1424062"	609.121438	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+H+CF3COOH"	115.000138
"1155442"	309.607751	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+3ACN+2H"	125.094202
"1697458"	626.147985	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+NH4+CF3COOH"	132.026685
"1642834"	631.10338	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+Na+CF3COOH"	136.98208
"1583952"	647.07732	"C11162"	"5-Methoxyhydnocarpin-D"	"C26H22O10"	"494.1213"	"M+K+CF3COOH"	152.95602
"807758"	292.1212	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M"	0
"980198"	273.10281	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-H2O-H"	-19.01839
"64794"	193.740190666667	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M-3H"	-3.021828
"506905"	291.113924	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M-3H"	-3.021828
"880370"	96.3664573333333	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-3H"	-3.021828
"355"	291.113924	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M-2H"	-2.014552
"441021"	437.174524	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M-2H"	-2.014552
"818208"	145.053324	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-2H"	-2.014552
"78612"	583.235124	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M-H"	-1.007276
"519588"	875.356324	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M-H"	-1.007276
"899449"	291.113924	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-H"	-1.007276
"50185"	600.261671	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M-2H+NH4"	16.019271
"490834"	892.382871	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M-2H+NH4"	16.019271
"868275"	308.140471	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-2H+NH4"	16.019271
"34354"	605.217066	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M-2H+Na"	20.974666
"474277"	897.338266	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M-2H+Na"	20.974666
"849535"	313.095866	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-2H+Na"	20.974666
"1620885"	313.095866	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Na-2H"	20.974666
"95469"	309.102263	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M-H+Cl"	33.962126
"535517"	455.162863	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M-H+Cl"	33.962126
"939978"	163.041663	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-H+Cl"	33.962126
"270515"	619.211802	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+Cl"	34.969402
"664031"	911.333002	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+Cl"	34.969402
"1274370"	327.090602	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Cl"	34.969402
"28480"	621.191006	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M-2H+K"	36.948606
"470713"	913.312206	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M-2H+K"	36.948606
"846935"	329.069806	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-2H+K"	36.948606
"1568964"	329.069806	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+K-2H"	36.948606
"956846"	337.119394	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-H+HCOOH"	44.998194
"375431"	629.240601	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+HCOOH-H"	44.998201
"358217"	643.256251	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+Hac-H"	59.013851
"1505966"	351.135051	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Hac-H"	59.013851
"972044"	359.101351	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-H+NaCOOH"	66.980151
"123867"	327.090602	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+2Cl"	69.938804
"564161"	473.151202	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+2Cl"	69.938804
"1035144"	181.030002	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2Cl"	69.938804
"1255821"	371.040085	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Br"	78.918885
"1316444"	373.096072	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Cl+HCOOH"	80.974872
"1323004"	395.078029	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Cl+NaCOOH"	102.956829
"921716"	405.106786	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M-H+CF3COOH"	112.985586
"1303169"	441.083464	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Cl+CF3COOH"	148.962264
"1374404"	257.108524	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H-2H2O"	-35.012676
"1384607"	275.1185	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H-H2O"	-17.0027
"286118"	585.249676	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+H"	1.007276
"689480"	877.370876	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+H"	1.007276
"1360359"	293.128476	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H"	1.007276
"133249"	293.128476	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+2H"	2.014552
"572808"	439.189076	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+2H"	2.014552
"1041606"	147.067876	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2H"	2.014552
"204885"	195.754742666667	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+3H"	3.021828
"644809"	293.128476	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+3H"	3.021828
"1166096"	98.3810093333333	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+3H"	3.021828
"426086"	602.276223	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+NH4"	18.033823
"788179"	894.397423	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+NH4"	18.033823
"1689979"	310.155023	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+NH4"	18.033823
"332430"	301.6417495	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+H+NH4"	19.041099
"723755"	447.7023495	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+H+NH4"	19.041099
"1490708"	155.5811495	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H+NH4"	19.041099
"404286"	607.231618	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+Na"	22.989218
"767833"	899.352818	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+Na"	22.989218
"1616538"	315.110418	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Na"	22.989218
"328156"	304.119447	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+H+Na"	23.996494
"721061"	450.180047	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+H+Na"	23.996494
"1468568"	158.058847	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H+Na"	23.996494
"1060722"	105.708323333333	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2H+Na"	25.00377
"1262400"	325.154686	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+CH3OH+H"	33.033486
"378055"	623.205558	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+K"	38.963158
"738725"	915.326758	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+K"	38.963158
"1544022"	331.084358	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+K"	38.963158
"303383"	312.106417	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+H+K"	39.970434
"699085"	458.167017	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+H+K"	39.970434
"1451809"	166.045817	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H+K"	39.970434
"237493"	626.276226	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+ACN+H"	42.033826
"1210397"	334.155026	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+ACN+H"	42.033826
"1194441"	167.581151	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+ACN+2H"	43.041102
"188730"	629.21356	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+2Na-H"	44.97116
"628815"	921.33476	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+2Na-H"	44.97116
"1132323"	337.09236	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2Na-H"	44.97116
"172941"	315.110418	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+2Na"	45.978436
"621264"	461.171018	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+2Na"	45.978436
"1121490"	169.049818	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2Na"	45.978436
"1401365"	113.035637333333	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H+2Na"	46.985712
"1441510"	339.133946	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H+HCOOH"	47.012746
"234125"	320.14344	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+3H2O+2H"	56.04448
"1515987"	353.18599	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+IsoProp+H"	61.06479
"421144"	323.097388	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+Na+K"	61.952376
"780315"	469.157988	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+Na+K"	61.952376
"1676281"	177.036788	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Na+K"	61.952376
"256238"	648.258168	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+ACN+Na"	64.015768
"1237697"	356.136968	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+ACN+Na"	64.015768
"1723302"	356.160493	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+NH4+HCOOH"	64.039293
"1190846"	120.362951333333	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+3Na"	68.967654
"1656364"	361.115888	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Na+HCOOH"	68.994688
"166508"	661.16144	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+2K-H"	76.91904
"607529"	953.28264	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+2K-H"	76.91904
"1094959"	369.04024	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2K-H"	76.91904
"155785"	331.084358	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"2M+2K"	77.926316
"593522"	477.144958	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"3M+2K"	77.926316
"1078032"	185.023758	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2K"	77.926316
"1102493"	371.054792	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2K+H"	78.933592
"1338877"	371.142407	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+DMSO+H"	79.021207
"1006676"	375.181576	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2ACN+H"	83.060376
"1530998"	376.175208	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+IsoProp+Na+H"	84.054008
"994166"	188.094426	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+2ACN+2H"	84.067652
"1591950"	377.089828	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+K+HCOOH"	84.968628
"1426359"	407.121338	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+H+CF3COOH"	115.000138
"1155552"	208.607701	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+3ACN+2H"	125.094202
"1697326"	424.147885	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+NH4+CF3COOH"	132.026685
"1640757"	429.10328	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+Na+CF3COOH"	136.98208
"1584062"	445.07722	"C11163"	"N-(2-Methoxyphenyl)-N-(2-naphtyl)urea;INF271"	"C18H16N2O2"	"292.1212"	"M+K+CF3COOH"	152.95602
"804588"	204.0203	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M"	0
"978121"	185.00191	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-H2O-H"	-19.01839
"65632"	135.006257333333	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M-3H"	-3.021828
"504828"	203.013024	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M-3H"	-3.021828
"882625"	66.9994906666667	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-3H"	-3.021828
"711"	203.013024	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M-2H"	-2.014552
"440888"	305.023174	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M-2H"	-2.014552
"818440"	101.002874	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-2H"	-2.014552
"81106"	407.033324	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M-H"	-1.007276
"521396"	611.053624	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M-H"	-1.007276
"899197"	203.013024	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-H"	-1.007276
"50295"	424.059871	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M-2H+NH4"	16.019271
"492042"	628.080171	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M-2H+NH4"	16.019271
"868385"	220.039571	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-2H+NH4"	16.019271
"34465"	429.015266	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M-2H+Na"	20.974666
"475119"	633.035566	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M-2H+Na"	20.974666
"852925"	224.994966	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-2H+Na"	20.974666
"1621361"	224.994966	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Na-2H"	20.974666
"96188"	221.001363	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M-H+Cl"	33.962126
"536357"	323.011513	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M-H+Cl"	33.962126
"940451"	118.991213	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-H+Cl"	33.962126
"270625"	443.010002	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+Cl"	34.969402
"665234"	647.030302	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+Cl"	34.969402
"1277638"	238.989702	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Cl"	34.969402
"28583"	444.989206	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M-2H+K"	36.948606
"469727"	649.009506	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M-2H+K"	36.948606
"844120"	240.968906	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-2H+K"	36.948606
"1568701"	240.968906	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+K-2H"	36.948606
"950021"	249.018494	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-H+HCOOH"	44.998194
"373350"	453.038801	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+HCOOH-H"	44.998201
"356500"	467.054451	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+Hac-H"	59.013851
"1500962"	263.034151	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Hac-H"	59.013851
"973251"	271.000451	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-H+NaCOOH"	66.980151
"124343"	238.989702	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+2Cl"	69.938804
"565365"	340.999852	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+2Cl"	69.938804
"1034768"	136.979552	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2Cl"	69.938804
"1254472"	282.939185	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Br"	78.918885
"1316552"	284.995172	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Cl+HCOOH"	80.974872
"1324571"	306.977129	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Cl+NaCOOH"	102.956829
"919639"	317.005886	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M-H+CF3COOH"	112.985586
"1301821"	352.982564	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Cl+CF3COOH"	148.962264
"1374514"	169.007624	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H-2H2O"	-35.012676
"1385811"	187.0176	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H-H2O"	-17.0027
"287321"	409.047876	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+H"	1.007276
"691007"	613.068176	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+H"	1.007276
"1361562"	205.027576	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H"	1.007276
"136638"	205.027576	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+2H"	2.014552
"574011"	307.037726	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+2H"	2.014552
"1041715"	103.017426	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2H"	2.014552
"204996"	137.020809333333	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+3H"	3.021828
"644838"	205.027576	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+3H"	3.021828
"1166206"	69.0140426666667	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+3H"	3.021828
"427289"	426.074423	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+NH4"	18.033823
"788653"	630.094723	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+NH4"	18.033823
"1690089"	222.054123	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+NH4"	18.033823
"332540"	213.5408495	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+H+NH4"	19.041099
"724230"	315.5509995	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+H+NH4"	19.041099
"1491913"	111.5306995	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H+NH4"	19.041099
"404395"	431.029818	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+Na"	22.989218
"767213"	635.050118	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+Na"	22.989218
"1616889"	227.009518	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Na"	22.989218
"326442"	216.018547	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+H+Na"	23.996494
"720563"	318.028697	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+H+Na"	23.996494
"1467585"	114.008397	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H+Na"	23.996494
"1061925"	76.3413566666667	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2H+Na"	25.00377
"1263603"	237.053786	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+CH3OH+H"	33.033486
"379988"	447.003758	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+K"	38.963158
"744261"	651.024058	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+K"	38.963158
"1550691"	242.983458	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+K"	38.963158
"304586"	224.005517	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+H+K"	39.970434
"700288"	326.015667	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+H+K"	39.970434
"1453012"	121.995367	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H+K"	39.970434
"238696"	450.074426	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+ACN+H"	42.033826
"1210544"	246.054126	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+ACN+H"	42.033826
"1196018"	123.530701	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+ACN+2H"	43.041102
"189618"	453.01176	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+2Na-H"	44.97116
"629173"	657.03206	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+2Na-H"	44.97116
"1132431"	248.99146	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2Na-H"	44.97116
"174880"	227.009518	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+2Na"	45.978436
"617728"	329.019668	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+2Na"	45.978436
"1124878"	124.999368	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2Na"	45.978436
"1410225"	83.6686706666667	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H+2Na"	46.985712
"1442349"	251.033046	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H+HCOOH"	47.012746
"234238"	232.04254	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+3H2O+2H"	56.04448
"1519376"	265.08509	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+IsoProp+H"	61.06479
"417973"	234.996488	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+Na+K"	61.952376
"782975"	337.006638	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+Na+K"	61.952376
"1676390"	132.986338	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Na+K"	61.952376
"256348"	472.056368	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+ACN+Na"	64.015768
"1238172"	268.036068	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+ACN+Na"	64.015768
"1724505"	268.059593	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+NH4+HCOOH"	64.039293
"1188042"	90.9959846666667	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+3Na"	68.967654
"1657567"	273.014988	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Na+HCOOH"	68.994688
"165526"	484.95964	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+2K-H"	76.91904
"603996"	688.97994	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+2K-H"	76.91904
"1090330"	280.93934	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2K-H"	76.91904
"152251"	242.983458	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"2M+2K"	77.926316
"589622"	344.993608	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"3M+2K"	77.926316
"1078871"	140.973308	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2K"	77.926316
"1102603"	282.953892	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2K+H"	78.933592
"1338987"	283.041507	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+DMSO+H"	79.021207
"1006664"	287.080676	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2ACN+H"	83.060376
"1527828"	288.074308	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+IsoProp+Na+H"	84.054008
"994276"	144.043976	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+2ACN+2H"	84.067652
"1592060"	288.988928	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+K+HCOOH"	84.968628
"1424282"	319.020438	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+H+CF3COOH"	115.000138
"1155662"	164.557251	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+3ACN+2H"	125.094202
"1698653"	336.046985	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+NH4+CF3COOH"	132.026685
"1640867"	341.00238	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+Na+CF3COOH"	136.98208
"1584172"	356.97632	"C11164"	"CCCP;Carbonyl cyanide m-chlorophenyl hydrazone"	"C9H5ClN4"	"204.0203"	"M+K+CF3COOH"	152.95602
"804698"	210.0715	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M"	0
"977138"	191.05311	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-H2O-H"	-19.01839
"63798"	139.040390666667	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M-3H"	-3.021828
"504938"	209.064224	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M-3H"	-3.021828
"880670"	69.0165573333333	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-3H"	-3.021828
"340"	209.064224	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M-2H"	-2.014552
"440512"	314.099974	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M-2H"	-2.014552
"818308"	104.028474	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-2H"	-2.014552
"80486"	419.135724	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M-H"	-1.007276
"520778"	629.207224	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M-H"	-1.007276
"898578"	209.064224	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-H"	-1.007276
"51497"	436.162271	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M-2H+NH4"	16.019271
"490692"	646.233771	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M-2H+NH4"	16.019271
"867766"	226.090771	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-2H+NH4"	16.019271
"33480"	441.117666	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M-2H+Na"	20.974666
"473769"	651.189166	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M-2H+Na"	20.974666
"850848"	231.046166	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-2H+Na"	20.974666
"1620378"	231.046166	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Na-2H"	20.974666
"95932"	227.052563	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M-H+Cl"	33.962126
"536831"	332.088313	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M-H+Cl"	33.962126
"937644"	122.016813	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-H+Cl"	33.962126
"270735"	455.112402	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+Cl"	34.969402
"665344"	665.183902	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+Cl"	34.969402
"1276654"	245.040902	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Cl"	34.969402
"29785"	457.091606	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M-2H+K"	36.948606
"469715"	667.163106	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M-2H+K"	36.948606
"844230"	247.020106	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-2H+K"	36.948606
"1567718"	247.020106	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+K-2H"	36.948606
"950132"	255.069694	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-H+HCOOH"	44.998194
"371636"	465.141201	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+HCOOH-H"	44.998201
"353330"	479.156851	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+Hac-H"	59.013851
"1499973"	269.085351	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Hac-H"	59.013851
"965332"	277.051651	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-H+NaCOOH"	66.980151
"115331"	245.040902	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+2Cl"	69.938804
"559268"	350.076652	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+2Cl"	69.938804
"1029160"	140.005152	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2Cl"	69.938804
"1254209"	288.990385	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Br"	78.918885
"1316662"	291.046372	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Cl+HCOOH"	80.974872
"1328690"	313.028329	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Cl+NaCOOH"	102.956829
"920842"	323.057086	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M-H+CF3COOH"	112.985586
"1301929"	359.033764	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Cl+CF3COOH"	148.962264
"1375717"	175.058824	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H-2H2O"	-35.012676
"1385191"	193.0688	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H-H2O"	-17.0027
"286337"	421.150276	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+H"	1.007276
"690549"	631.221776	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+H"	1.007276
"1359485"	211.078776	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H"	1.007276
"131280"	211.078776	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+2H"	2.014552
"574121"	316.114526	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+2H"	2.014552
"1041825"	106.043026	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2H"	2.014552
"206443"	141.054942666667	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+3H"	3.021828
"644471"	211.078776	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+3H"	3.021828
"1164492"	71.0311093333333	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+3H"	3.021828
"426306"	438.176823	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+NH4"	18.033823
"788763"	648.248323	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+NH4"	18.033823
"1686919"	228.105323	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+NH4"	18.033823
"333014"	219.5920495	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+H+NH4"	19.041099
"724581"	324.6277995	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+H+NH4"	19.041099
"1489105"	114.5562995	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H+NH4"	19.041099
"404505"	443.132218	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+Na"	22.989218
"766588"	653.203718	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+Na"	22.989218
"1611406"	233.060718	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Na"	22.989218
"323632"	222.069747	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+H+Na"	23.996494
"719336"	327.105497	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+H+Na"	23.996494
"1464414"	117.033997	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H+Na"	23.996494
"1056566"	78.3584233333333	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2H+Na"	25.00377
"1260429"	243.104986	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+CH3OH+H"	33.033486
"382282"	459.106158	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+K"	38.963158
"744371"	669.177658	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+K"	38.963158
"1543146"	249.034658	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+K"	38.963158
"304693"	230.056717	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+H+K"	39.970434
"697116"	335.092467	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+H+K"	39.970434
"1452028"	125.020967	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H+K"	39.970434
"236252"	462.176826	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+ACN+H"	42.033826
"1210254"	252.105326	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+ACN+H"	42.033826
"1194281"	126.556301	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+ACN+2H"	43.041102
"189114"	465.11416	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+2Na-H"	44.97116
"628995"	675.18566	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+2Na-H"	44.97116
"1131730"	255.04266	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2Na-H"	44.97116
"173284"	233.060718	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+2Na"	45.978436
"613205"	338.096468	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+2Na"	45.978436
"1124989"	128.024968	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2Na"	45.978436
"1409606"	85.6857373333333	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H+2Na"	46.985712
"1443188"	257.084246	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H+HCOOH"	47.012746
"235441"	238.09374	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+3H2O+2H"	56.04448
"1521673"	271.13629	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+IsoProp+H"	61.06479
"419906"	241.047688	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+Na+K"	61.952376
"782356"	346.083438	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+Na+K"	61.952376
"1677593"	136.011938	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Na+K"	61.952376
"259738"	484.158768	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+ACN+Na"	64.015768
"1237552"	274.087268	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+ACN+Na"	64.015768
"1724980"	274.110793	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+NH4+HCOOH"	64.039293
"1187788"	93.0130513333333	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+3Na"	68.967654
"1658770"	279.066188	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Na+HCOOH"	68.994688
"166729"	497.06204	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+2K-H"	76.91904
"606292"	707.13354	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+2K-H"	76.91904
"1092992"	286.99054	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2K-H"	76.91904
"153090"	249.034658	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"2M+2K"	77.926316
"589366"	354.070408	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"3M+2K"	77.926316
"1078980"	143.998908	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2K"	77.926316
"1102713"	289.005092	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2K+H"	78.933592
"1339097"	289.092707	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+DMSO+H"	79.021207
"1006774"	293.131876	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2ACN+H"	83.060376
"1525993"	294.125508	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+IsoProp+Na+H"	84.054008
"992199"	147.069576	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+2ACN+2H"	84.067652
"1589983"	295.040128	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+K+HCOOH"	84.968628
"1424392"	325.071638	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+H+CF3COOH"	115.000138
"1152492"	167.582851	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+3ACN+2H"	125.094202
"1699127"	342.098185	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+NH4+CF3COOH"	132.026685
"1639884"	347.05358	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+Na+CF3COOH"	136.98208
"1584282"	363.02752	"C11165"	"Thiolactomycin"	"C11H14O2S"	"210.0715"	"M+K+CF3COOH"	152.95602
"810275"	288.1371	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M"	0
"977248"	269.11871	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-H2O-H"	-19.01839
"64760"	191.084124	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M-3H"	-3.021828
"504319"	287.129824	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M-3H"	-3.021828
"881752"	95.038424	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-3H"	-3.021828
"694"	287.129824	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M-2H"	-2.014552
"440090"	431.198374	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M-2H"	-2.014552
"817810"	143.061274	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-2H"	-2.014552
"79625"	575.266924	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M-H"	-1.007276
"519431"	863.404024	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M-H"	-1.007276
"899782"	287.129824	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-H"	-1.007276
"52702"	592.293471	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M-2H+NH4"	16.019271
"492261"	880.430571	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M-2H+NH4"	16.019271
"872251"	304.156371	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-2H+NH4"	16.019271
"32135"	597.248866	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M-2H+Na"	20.974666
"472424"	885.385966	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M-2H+Na"	20.974666
"850958"	309.111766	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-2H+Na"	20.974666
"1622675"	309.111766	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Na-2H"	20.974666
"100297"	305.118163	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M-H+Cl"	33.962126
"537671"	449.186713	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M-H+Cl"	33.962126
"936661"	161.049613	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-H+Cl"	33.962126
"275218"	611.243602	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+Cl"	34.969402
"664361"	899.380702	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+Cl"	34.969402
"1280045"	323.106502	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Cl"	34.969402
"24793"	613.222806	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M-2H+K"	36.948606
"468727"	901.359906	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M-2H+K"	36.948606
"841061"	325.085706	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-2H+K"	36.948606
"1561270"	325.085706	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+K-2H"	36.948606
"949148"	333.135294	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-H+HCOOH"	44.998194
"370653"	621.272401	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+HCOOH-H"	44.998201
"352347"	635.288051	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+Hac-H"	59.013851
"1498990"	347.150951	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Hac-H"	59.013851
"963252"	355.117251	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-H+NaCOOH"	66.980151
"113984"	323.106502	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+2Cl"	69.938804
"559379"	467.175052	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+2Cl"	69.938804
"1027084"	179.037952	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2Cl"	69.938804
"1249944"	367.055985	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Br"	78.918885
"1306194"	369.111972	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Cl+HCOOH"	80.974872
"1325517"	391.093929	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Cl+NaCOOH"	102.956829
"914387"	401.122686	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M-H+CF3COOH"	112.985586
"1293287"	437.099364	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Cl+CF3COOH"	148.962264
"1374732"	253.124424	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H-2H2O"	-35.012676
"1388947"	271.1344	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H-H2O"	-17.0027
"286443"	577.281476	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+H"	1.007276
"677040"	865.418576	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+H"	1.007276
"1353029"	289.144376	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H"	1.007276
"126036"	289.144376	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+2H"	2.014552
"566205"	433.212926	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+2H"	2.014552
"1037795"	145.075826	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2H"	2.014552
"204723"	193.098676	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+3H"	3.021828
"644474"	289.144376	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+3H"	3.021828
"1162791"	97.052976	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+3H"	3.021828
"424589"	594.308023	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+NH4"	18.033823
"788144"	882.445123	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+NH4"	18.033823
"1682651"	306.170923	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+NH4"	18.033823
"336404"	297.6576495	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+H+NH4"	19.041099
"724814"	441.7261995	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+H+NH4"	19.041099
"1481550"	153.5890995	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H+NH4"	19.041099
"397315"	599.263418	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+Na"	22.989218
"757582"	887.400518	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+Na"	22.989218
"1603856"	311.126318	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Na"	22.989218
"327022"	300.135347	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+H+Na"	23.996494
"720540"	444.203897	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+H+Na"	23.996494
"1464524"	156.066797	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H+Na"	23.996494
"1057769"	104.38029	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2H+Na"	25.00377
"1259810"	321.170586	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+CH3OH+H"	33.033486
"381299"	615.237358	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+K"	38.963158
"742297"	903.374458	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+K"	38.963158
"1543257"	327.100258	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+K"	38.963158
"304803"	308.122317	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+H+K"	39.970434
"699411"	452.190867	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+H+K"	39.970434
"1452138"	164.053767	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H+K"	39.970434
"236484"	618.308026	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+ACN+H"	42.033826
"1210650"	330.170926	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+ACN+H"	42.033826
"1194892"	165.589101	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+ACN+2H"	43.041102
"188695"	621.24536	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+2Na-H"	44.97116
"628944"	909.38246	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+2Na-H"	44.97116
"1132002"	333.10826	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2Na-H"	44.97116
"173101"	311.126318	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+2Na"	45.978436
"613064"	455.194868	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+2Na"	45.978436
"1126191"	167.057768	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2Na"	45.978436
"1408256"	111.707604	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H+2Na"	46.985712
"1440744"	335.149846	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H+HCOOH"	47.012746
"231532"	316.15934	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+3H2O+2H"	56.04448
"1517409"	349.20189	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+IsoProp+H"	61.06479
"421470"	319.113288	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+Na+K"	61.952376
"781371"	463.181838	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+Na+K"	61.952376
"1671504"	175.044738	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Na+K"	61.952376
"254744"	640.289968	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+ACN+Na"	64.015768
"1231099"	352.152868	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+ACN+Na"	64.015768
"1717069"	352.176393	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+NH4+HCOOH"	64.039293
"1179262"	119.034918	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+3Na"	68.967654
"1658880"	357.131788	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Na+HCOOH"	68.994688
"165744"	653.19324	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+2K-H"	76.91904
"606399"	941.33034	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+2K-H"	76.91904
"1095287"	365.05614	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2K-H"	76.91904
"153928"	327.100258	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"2M+2K"	77.926316
"589476"	471.168808	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"3M+2K"	77.926316
"1081278"	183.031708	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2K"	77.926316
"1102823"	367.070692	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2K+H"	78.933592
"1342487"	367.158307	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+DMSO+H"	79.021207
"1012109"	371.197476	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2ACN+H"	83.060376
"1531328"	372.191108	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+IsoProp+Na+H"	84.054008
"996683"	186.102376	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+2ACN+2H"	84.067652
"1592280"	373.105728	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+K+HCOOH"	84.968628
"1417940"	403.137238	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+H+CF3COOH"	115.000138
"1151508"	206.615651	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+3ACN+2H"	125.094202
"1698508"	420.163785	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+NH4+CF3COOH"	132.026685
"1639994"	425.11918	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+Na+CF3COOH"	136.98208
"1584392"	441.09312	"C11166"	"SDS;Sodium lauryl sulfate;Sodium dodecyl sulfate"	"C12H25O4SNa"	"288.1371"	"M+K+CF3COOH"	152.95602
"808198"	317.1991	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M"	0
"978451"	298.18071	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-H2O-H"	-19.01839
"64506"	210.458790666667	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M-3H"	-3.021828
"503172"	316.191824	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M-3H"	-3.021828
"882955"	104.725757333333	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-3H"	-3.021828
"398"	316.191824	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M-2H"	-2.014552
"440111"	474.791374	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M-2H"	-2.014552
"817920"	157.592274	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-2H"	-2.014552
"78648"	633.390924	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M-H"	-1.007276
"519177"	950.590024	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M-H"	-1.007276
"897342"	316.191824	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-H"	-1.007276
"49531"	650.417471	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M-2H+NH4"	16.019271
"489454"	967.616571	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M-2H+NH4"	16.019271
"866895"	333.218371	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-2H+NH4"	16.019271
"31436"	655.372866	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M-2H+Na"	20.974666
"473262"	972.571966	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M-2H+Na"	20.974666
"853256"	338.173766	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-2H+Na"	20.974666
"1618615"	338.173766	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Na-2H"	20.974666
"100410"	334.180163	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M-H+Cl"	33.962126
"537784"	492.779713	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M-H+Cl"	33.962126
"936771"	175.580613	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-H+Cl"	33.962126
"275328"	669.367602	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+Cl"	34.969402
"664472"	986.566702	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+Cl"	34.969402
"1281614"	352.168502	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Cl"	34.969402
"22717"	671.346806	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M-2H+K"	36.948606
"463371"	988.545906	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M-2H+K"	36.948606
"838985"	354.147706	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-2H+K"	36.948606
"1560285"	354.147706	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+K-2H"	36.948606
"946342"	362.197294	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-H+HCOOH"	44.998194
"370763"	679.396401	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+HCOOH-H"	44.998201
"354644"	693.412051	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+Hac-H"	59.013851
"1500194"	376.212951	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Hac-H"	59.013851
"964456"	384.179251	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-H+NaCOOH"	66.980151
"115552"	352.168502	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+2Cl"	69.938804
"559489"	510.768052	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+2Cl"	69.938804
"1029381"	193.568952	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2Cl"	69.938804
"1246774"	396.117985	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Br"	78.918885
"1304888"	398.173972	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Cl+HCOOH"	80.974872
"1326721"	420.155929	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Cl+NaCOOH"	102.956829
"914497"	430.184686	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M-H+CF3COOH"	112.985586
"1293397"	466.161364	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Cl+CF3COOH"	148.962264
"1374842"	282.186424	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H-2H2O"	-35.012676
"1389057"	300.1964	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H-H2O"	-17.0027
"285460"	635.405476	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+H"	1.007276
"676786"	952.604576	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+H"	1.007276
"1355326"	318.206376	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H"	1.007276
"128214"	318.206376	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+2H"	2.014552
"567045"	476.805926	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+2H"	2.014552
"1038147"	159.606826	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2H"	2.014552
"204954"	212.473342666667	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+3H"	3.021828
"644307"	318.206376	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+3H"	3.021828
"1163168"	106.740309333333	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+3H"	3.021828
"424372"	652.432023	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+NH4"	18.033823
"788983"	969.631123	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+NH4"	18.033823
"1682761"	335.232923	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+NH4"	18.033823
"336878"	326.7196495	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+H+NH4"	19.041099
"727477"	485.3191995	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+H+NH4"	19.041099
"1483848"	168.1200995	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H+NH4"	19.041099
"397789"	657.387418	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+Na"	22.989218
"757691"	974.586518	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+Na"	22.989218
"1604692"	340.188318	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Na"	22.989218
"327132"	329.197347	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+H+Na"	23.996494
"720896"	487.796897	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+H+Na"	23.996494
"1461714"	170.597797	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H+Na"	23.996494
"1056783"	114.067623333333	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2H+Na"	25.00377
"1261743"	350.232586	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+CH3OH+H"	33.033486
"382502"	673.361358	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+K"	38.963158
"742406"	990.560458	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+K"	38.963158
"1546644"	356.162258	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+K"	38.963158
"306006"	337.184317	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+H+K"	39.970434
"698427"	495.783867	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+H+K"	39.970434
"1448967"	178.584767	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H+K"	39.970434
"236027"	676.432026	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+ACN+H"	42.033826
"1209936"	359.232926	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+ACN+H"	42.033826
"1194237"	180.120101	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+ACN+2H"	43.041102
"188719"	679.36936	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+2Na-H"	44.97116
"628655"	996.56846	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+2Na-H"	44.97116
"1131351"	362.17026	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2Na-H"	44.97116
"172989"	340.188318	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+2Na"	45.978436
"612938"	498.787868	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+2Na"	45.978436
"1127030"	181.588768	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2Na"	45.978436
"1408730"	121.394937333333	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H+2Na"	46.985712
"1440853"	364.211846	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H+HCOOH"	47.012746
"231642"	345.22134	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+3H2O+2H"	56.04448
"1517520"	378.26389	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+IsoProp+H"	61.06479
"419393"	348.175288	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+Na+K"	61.952376
"781481"	506.774838	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+Na+K"	61.952376
"1670157"	189.575738	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Na+K"	61.952376
"254126"	698.413968	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+ACN+Na"	64.015768
"1231209"	381.214868	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+ACN+Na"	64.015768
"1716815"	381.238393	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+NH4+HCOOH"	64.039293
"1178722"	128.722251333333	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+3Na"	68.967654
"1658990"	386.193788	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Na+HCOOH"	68.994688
"165853"	711.31724	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+2K-H"	76.91904
"606509"	1028.51634	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+2K-H"	76.91904
"1092117"	394.11814	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2K-H"	76.91904
"148931"	356.162258	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"2M+2K"	77.926316
"589586"	514.761808	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"3M+2K"	77.926316
"1080659"	197.562708	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2K"	77.926316
"1104025"	396.132692	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2K+H"	78.933592
"1339317"	396.220307	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+DMSO+H"	79.021207
"1006872"	400.259476	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2ACN+H"	83.060376
"1528157"	401.253108	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+IsoProp+Na+H"	84.054008
"997886"	200.633376	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+2ACN+2H"	84.067652
"1594577"	402.167728	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+K+HCOOH"	84.968628
"1422423"	432.199238	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+H+CF3COOH"	115.000138
"1153804"	221.146651	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+3ACN+2H"	125.094202
"1703356"	449.225785	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+NH4+CF3COOH"	132.026685
"1640104"	454.18118	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+Na+CF3COOH"	136.98208
"1574661"	470.15512	"C11168"	"Tetrabenazine"	"C19H27NO3"	"317.1991"	"M+K+CF3COOH"	152.95602
"805028"	255.0136	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M"	0
"978561"	235.99521	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-H2O-H"	-19.01839
"64007"	169.001790666667	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M-3H"	-3.021828
"504175"	254.006324	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M-3H"	-3.021828
"881974"	83.9972573333333	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-3H"	-3.021828
"1034"	254.006324	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M-2H"	-2.014552
"440268"	381.513124	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M-2H"	-2.014552
"818397"	126.499524	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-2H"	-2.014552
"80212"	509.019924	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M-H"	-1.007276
"519524"	764.033524	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M-H"	-1.007276
"897819"	254.006324	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-H"	-1.007276
"49638"	526.046471	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M-2H+NH4"	16.019271
"490293"	781.060071	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M-2H+NH4"	16.019271
"866392"	271.032871	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-2H+NH4"	16.019271
"32722"	531.001866	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M-2H+Na"	20.974666
"471750"	786.015466	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M-2H+Na"	20.974666
"853366"	275.988266	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-2H+Na"	20.974666
"1619617"	275.988266	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Na-2H"	20.974666
"101613"	271.994663	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M-H+Cl"	33.962126
"541174"	399.501463	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M-H+Cl"	33.962126
"936881"	144.487863	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-H+Cl"	33.962126
"277991"	544.996602	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+Cl"	34.969402
"667861"	800.010202	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+Cl"	34.969402
"1282087"	289.983002	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Cl"	34.969402
"22825"	546.975806	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M-2H+K"	36.948606
"464574"	801.989406	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M-2H+K"	36.948606
"840188"	291.962206	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-2H+K"	36.948606
"1564767"	291.962206	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+K-2H"	36.948606
"948274"	300.011794	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-H+HCOOH"	44.998194
"370873"	555.025401	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+HCOOH-H"	44.998201
"352568"	569.041051	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+Hac-H"	59.013851
"1499210"	314.027451	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Hac-H"	59.013851
"966749"	321.993751	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-H+NaCOOH"	66.980151
"121853"	289.983002	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+2Cl"	69.938804
"557040"	417.489802	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+2Cl"	69.938804
"1029491"	162.476202	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2Cl"	69.938804
"1244697"	333.932485	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Br"	78.918885
"1305076"	335.988472	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Cl+HCOOH"	80.974872
"1323551"	357.970429	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Cl+NaCOOH"	102.956829
"913147"	367.999186	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M-H+CF3COOH"	112.985586
"1294600"	403.975864	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Cl+CF3COOH"	148.962264
"1374952"	220.000924	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H-2H2O"	-35.012676
"1391353"	238.0109	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H-H2O"	-17.0027
"287757"	511.034476	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+H"	1.007276
"676166"	766.048076	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+H"	1.007276
"1354342"	256.020876	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H"	1.007276
"129417"	256.020876	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+2H"	2.014552
"568977"	383.527676	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+2H"	2.014552
"1038136"	128.514076	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2H"	2.014552
"204941"	171.016342666667	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+3H"	3.021828
"644295"	256.020876	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+3H"	3.021828
"1163154"	86.0118093333333	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+3H"	3.021828
"424931"	528.061023	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+NH4"	18.033823
"785964"	783.074623	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+NH4"	18.033823
"1682871"	273.047423	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+NH4"	18.033823
"336988"	264.5341495	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+H+NH4"	19.041099
"729774"	392.0409495	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+H+NH4"	19.041099
"1485053"	137.0273495	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H+NH4"	19.041099
"397899"	533.016418	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+Na"	22.989218
"759622"	788.030018	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+Na"	22.989218
"1605897"	278.002818	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Na"	22.989218
"327121"	267.011847	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+H+Na"	23.996494
"716384"	394.518647	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+H+Na"	23.996494
"1464742"	139.505047	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H+Na"	23.996494
"1054708"	93.3391233333333	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2H+Na"	25.00377
"1261853"	288.047086	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+CH3OH+H"	33.033486
"382615"	548.990358	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+K"	38.963158
"749807"	804.003958	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+K"	38.963158
"1544568"	293.976758	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+K"	38.963158
"306116"	274.998817	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+H+K"	39.970434
"697444"	402.505617	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+H+K"	39.970434
"1449077"	147.492017	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H+K"	39.970434
"235702"	552.061026	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+ACN+H"	42.033826
"1209966"	297.047426	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+ACN+H"	42.033826
"1194349"	149.027351	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+ACN+2H"	43.041102
"189075"	554.99836	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+2Na-H"	44.97116
"628835"	810.01196	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+2Na-H"	44.97116
"1131367"	299.98476	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2Na-H"	44.97116
"172847"	278.002818	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+2Na"	45.978436
"612932"	405.509618	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+2Na"	45.978436
"1128233"	150.496018	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2Na"	45.978436
"1407747"	100.666437333333	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H+2Na"	46.985712
"1440963"	302.026346	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H+HCOOH"	47.012746
"230659"	283.03584	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+3H2O+2H"	56.04448
"1520910"	316.07839	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+IsoProp+H"	61.06479
"419503"	285.989788	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+Na+K"	61.952376
"780499"	413.496588	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+Na+K"	61.952376
"1669901"	158.482988	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Na+K"	61.952376
"256422"	574.042968	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+ACN+Na"	64.015768
"1227309"	319.029368	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+ACN+Na"	64.015768
"1715102"	319.052893	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+NH4+HCOOH"	64.039293
"1184466"	107.993751333333	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+3Na"	68.967654
"1658008"	324.008288	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Na+HCOOH"	68.994688
"165600"	586.94624	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+2K-H"	76.91904
"609169"	841.95984	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+2K-H"	76.91904
"1091131"	331.93264	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2K-H"	76.91904
"149043"	293.976758	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"2M+2K"	77.926316
"588603"	421.483558	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"3M+2K"	77.926316
"1071291"	166.469958	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2K"	77.926316
"1101583"	333.947192	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2K+H"	78.933592
"1337603"	334.034807	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+DMSO+H"	79.021207
"1006861"	338.073976	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2ACN+H"	83.060376
"1528267"	339.067608	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+IsoProp+Na+H"	84.054008
"997996"	169.540626	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+2ACN+2H"	84.067652
"1595780"	339.982228	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+K+HCOOH"	84.968628
"1422533"	370.013738	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+H+CF3COOH"	115.000138
"1153914"	190.053901	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+3ACN+2H"	125.094202
"1702373"	387.040285	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+NH4+CF3COOH"	132.026685
"1640214"	391.99568	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+Na+CF3COOH"	136.98208
"1574771"	407.96962	"C11169"	"Sulfathiazole"	"C9H9N3O2S2"	"255.0136"	"M+K+CF3COOH"	152.95602
"805138"	414.0555	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M"	0
"978671"	395.03711	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-H2O-H"	-19.01839
"63632"	275.029724	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M-3H"	-3.021828
"505378"	413.048224	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M-3H"	-3.021828
"882082"	137.011224	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-3H"	-3.021828
"3938"	413.048224	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M-2H"	-2.014552
"440026"	620.075974	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M-2H"	-2.014552
"819479"	206.020474	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-2H"	-2.014552
"79594"	827.103724	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M-H"	-1.007276
"520126"	1241.159224	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M-H"	-1.007276
"897807"	413.048224	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-H"	-1.007276
"49384"	844.130271	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M-2H+NH4"	16.019271
"489674"	1258.185771	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M-2H+NH4"	16.019271
"867472"	430.074771	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-2H+NH4"	16.019271
"32344"	849.085666	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M-2H+Na"	20.974666
"474212"	1263.141166	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M-2H+Na"	20.974666
"853476"	435.030166	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-2H+Na"	20.974666
"1621913"	435.030166	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Na-2H"	20.974666
"103909"	431.036563	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M-H+Cl"	33.962126
"544564"	638.064313	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M-H+Cl"	33.962126
"939177"	224.008813	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-H+Cl"	33.962126
"276642"	863.080402	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+Cl"	34.969402
"670886"	1277.135902	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+Cl"	34.969402
"1285113"	449.024902	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Cl"	34.969402
"21107"	865.059606	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M-2H+K"	36.948606
"460304"	1279.115106	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M-2H+K"	36.948606
"838107"	451.004106	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-2H+K"	36.948606
"1559776"	451.004106	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+K-2H"	36.948606
"948384"	459.053694	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-H+HCOOH"	44.998194
"367699"	873.109201	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+HCOOH-H"	44.998201
"355957"	887.124851	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+Hac-H"	59.013851
"1498227"	473.069351	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Hac-H"	59.013851
"965767"	481.035651	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-H+NaCOOH"	66.980151
"119047"	449.024902	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+2Cl"	69.938804
"556786"	656.052652	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+2Cl"	69.938804
"1030694"	241.997152	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2Cl"	69.938804
"1246992"	492.974385	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Br"	78.918885
"1304822"	495.030372	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Cl+HCOOH"	80.974872
"1321109"	517.012329	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Cl+NaCOOH"	102.956829
"914716"	527.041086	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M-H+CF3COOH"	112.985586
"1293617"	563.017764	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Cl+CF3COOH"	148.962264
"1371781"	379.042824	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H-2H2O"	-35.012676
"1388183"	397.0528	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H-H2O"	-17.0027
"285680"	829.118276	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+H"	1.007276
"676516"	1243.173776	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+H"	1.007276
"1355546"	415.062776	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H"	1.007276
"129527"	415.062776	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+2H"	2.014552
"566536"	622.090526	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+2H"	2.014552
"1039340"	208.035026	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2H"	2.014552
"205783"	277.044276	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+3H"	3.021828
"644494"	415.062776	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+3H"	3.021828
"1163468"	139.025776	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+3H"	3.021828
"425167"	846.144823	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+NH4"	18.033823
"785720"	1260.200323	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+NH4"	18.033823
"1682981"	432.089323	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+NH4"	18.033823
"340015"	423.5760495	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+H+NH4"	19.041099
"732438"	630.6037995	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+H+NH4"	19.041099
"1489536"	216.5482995	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H+NH4"	19.041099
"399467"	851.100218	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+Na"	22.989218
"757545"	1265.155718	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+Na"	22.989218
"1610747"	437.044718	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Na"	22.989218
"318601"	426.053747	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+H+Na"	23.996494
"716494"	633.081497	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+H+Na"	23.996494
"1470313"	219.025997	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H+Na"	23.996494
"1064660"	146.35309	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2H+Na"	25.00377
"1266336"	447.088986	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+CH3OH+H"	33.033486
"387098"	867.074158	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+K"	38.963158
"750646"	1281.129658	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+K"	38.963158
"1545771"	453.018658	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+K"	38.963158
"304039"	434.040717	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+H+K"	39.970434
"693539"	641.068467	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+H+K"	39.970434
"1449184"	227.012967	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H+K"	39.970434
"236327"	870.144826	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+ACN+H"	42.033826
"1210038"	456.089326	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+ACN+H"	42.033826
"1194610"	228.548301	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+ACN+2H"	43.041102
"189426"	873.08216	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+2Na-H"	44.97116
"628610"	1287.13766	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+2Na-H"	44.97116
"1131603"	459.02666	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2Na-H"	44.97116
"173471"	437.044718	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+2Na"	45.978436
"613434"	644.072468	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+2Na"	45.978436
"1120684"	230.016968	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2Na"	45.978436
"1407493"	153.680404	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H+2Na"	46.985712
"1443625"	461.068246	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H+HCOOH"	47.012746
"232592"	442.07774	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+3H2O+2H"	56.04448
"1523820"	475.12029	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+IsoProp+H"	61.06479
"422166"	445.031688	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+Na+K"	61.952376
"784133"	652.059438	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+Na+K"	61.952376
"1670740"	238.003938	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Na+K"	61.952376
"257990"	892.126768	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+ACN+Na"	64.015768
"1232522"	478.071268	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+ACN+Na"	64.015768
"1717399"	478.094793	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+NH4+HCOOH"	64.039293
"1186399"	161.007718	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+3Na"	68.967654
"1657024"	483.050188	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Na+HCOOH"	68.994688
"168626"	905.03004	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+2K-H"	76.91904
"608550"	1319.08554	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+2K-H"	76.91904
"1097439"	490.97454	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2K-H"	76.91904
"155350"	453.018658	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"2M+2K"	77.926316
"593817"	660.046408	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"3M+2K"	77.926316
"1074317"	245.990908	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2K"	77.926316
"1103516"	492.989092	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2K+H"	78.933592
"1338807"	493.076707	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+DMSO+H"	79.021207
"1009158"	497.115876	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2ACN+H"	83.060376
"1529471"	498.109508	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+IsoProp+Na+H"	84.054008
"999200"	249.061576	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+2ACN+2H"	84.067652
"1595891"	499.024128	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+K+HCOOH"	84.968628
"1422644"	529.055638	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+H+CF3COOH"	115.000138
"1155118"	269.574851	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+3ACN+2H"	125.094202
"1705763"	546.082185	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+NH4+CF3COOH"	132.026685
"1638136"	551.03758	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+Na+CF3COOH"	136.98208
"1574881"	567.01152	"C11170"	"Sulbenicillin"	"C16H18N2O7S2"	"414.0555"	"M+K+CF3COOH"	152.95602
"805248"	414.2746	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M"	0
"975865"	395.25621	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-H2O-H"	-19.01839
"63742"	275.175790666667	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M-3H"	-3.021828
"506580"	413.267324	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M-3H"	-3.021828
"881098"	137.084257333333	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-3H"	-3.021828
"4048"	413.267324	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M-2H"	-2.014552
"441061"	620.404624	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M-2H"	-2.014552
"818738"	206.130024	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-2H"	-2.014552
"81405"	827.541924	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M-H"	-1.007276
"523152"	1241.816524	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M-H"	-1.007276
"899861"	413.267324	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-H"	-1.007276
"50589"	844.568471	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M-2H+NH4"	16.019271
"493795"	1258.843071	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M-2H+NH4"	16.019271
"867950"	430.293871	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-2H+NH4"	16.019271
"33184"	849.523866	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M-2H+Na"	20.974666
"477967"	1263.798466	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M-2H+Na"	20.974666
"852491"	435.249266	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-2H+Na"	20.974666
"1620200"	435.249266	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Na-2H"	20.974666
"100739"	431.255663	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M-H+Cl"	33.962126
"544673"	638.392963	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M-H+Cl"	33.962126
"938558"	224.118363	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-H+Cl"	33.962126
"274566"	863.518602	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+Cl"	34.969402
"671359"	1277.793202	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+Cl"	34.969402
"1282669"	449.244002	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Cl"	34.969402
"20854"	865.497806	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M-2H+K"	36.948606
"459686"	1279.772406	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M-2H+K"	36.948606
"839310"	451.223206	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-2H+K"	36.948606
"1560615"	451.223206	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+K-2H"	36.948606
"949587"	459.272794	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-H+HCOOH"	44.998194
"365622"	873.547401	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+HCOOH-H"	44.998201
"353880"	887.563051	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+Hac-H"	59.013851
"1496514"	473.288451	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Hac-H"	59.013851
"962961"	481.254751	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-H+NaCOOH"	66.980151
"115877"	449.244002	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+2Cl"	69.938804
"555437"	656.381302	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+2Cl"	69.938804
"1027522"	242.106702	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2Cl"	69.938804
"1246007"	493.193485	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Br"	78.918885
"1304608"	495.249472	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Cl+HCOOH"	80.974872
"1321583"	517.231429	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Cl+NaCOOH"	102.956829
"912639"	527.260186	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M-H+CF3COOH"	112.985586
"1294822"	563.236864	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Cl+CF3COOH"	148.962264
"1372986"	379.261924	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H-2H2O"	-35.012676
"1386106"	397.2719	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H-H2O"	-17.0027
"286885"	829.556476	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+H"	1.007276
"676263"	1243.831076	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+H"	1.007276
"1354563"	415.281876	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H"	1.007276
"126722"	415.281876	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+2H"	2.014552
"566646"	622.419176	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+2H"	2.014552
"1037868"	208.144576	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2H"	2.014552
"205043"	277.190342666667	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+3H"	3.021828
"644521"	415.281876	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+3H"	3.021828
"1163699"	139.098809333333	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+3H"	3.021828
"425633"	846.583023	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+NH4"	18.033823
"786223"	1260.857623	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+NH4"	18.033823
"1681991"	432.308423	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+NH4"	18.033823
"340125"	423.7951495	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+H+NH4"	19.041099
"732548"	630.9324495	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+H+NH4"	19.041099
"1490739"	216.6578495	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H+NH4"	19.041099
"397391"	851.538418	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+Na"	22.989218
"758384"	1265.813018	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+Na"	22.989218
"1609764"	437.263818	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Na"	22.989218
"317252"	426.272847	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+H+Na"	23.996494
"716604"	633.410147	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+H+Na"	23.996494
"1468236"	219.135547	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H+Na"	23.996494
"1060396"	146.426123333333	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2H+Na"	25.00377
"1268634"	447.308086	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+CH3OH+H"	33.033486
"385021"	867.512358	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+K"	38.963158
"747110"	1281.786958	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+K"	38.963158
"1544788"	453.237758	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+K"	38.963158
"300503"	434.259817	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+H+K"	39.970434
"691948"	641.397117	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+H+K"	39.970434
"1447468"	227.122517	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H+K"	39.970434
"237164"	870.583026	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+ACN+H"	42.033826
"1212788"	456.308426	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+ACN+H"	42.033826
"1194968"	228.657851	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+ACN+2H"	43.041102
"189295"	873.52036	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+2Na-H"	44.97116
"630075"	1287.79496	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+2Na-H"	44.97116
"1131996"	459.24576	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2Na-H"	44.97116
"173177"	437.263818	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+2Na"	45.978436
"613508"	644.401118	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+2Na"	45.978436
"1119700"	230.126518	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2Na"	45.978436
"1406871"	153.753437333333	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H+2Na"	46.985712
"1443858"	461.287346	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H+HCOOH"	47.012746
"231973"	442.29684	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+3H2O+2H"	56.04448
"1522834"	475.33939	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+IsoProp+H"	61.06479
"421547"	445.250788	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+Na+K"	61.952376
"784852"	652.388088	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+Na+K"	61.952376
"1671944"	238.113488	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Na+K"	61.952376
"259558"	892.564968	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+ACN+Na"	64.015768
"1231539"	478.290368	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+ACN+Na"	64.015768
"1720425"	478.313893	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+NH4+HCOOH"	64.039293
"1180676"	161.080751333333	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+3Na"	68.967654
"1654215"	483.269288	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Na+HCOOH"	68.994688
"163996"	905.46824	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+2K-H"	76.91904
"605380"	1319.74284	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+2K-H"	76.91904
"1096455"	491.19364	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2K-H"	76.91904
"152909"	453.237758	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"2M+2K"	77.926316
"594292"	660.375058	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"3M+2K"	77.926316
"1074427"	246.100458	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2K"	77.926316
"1103262"	493.208192	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2K+H"	78.933592
"1337095"	493.295807	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+DMSO+H"	79.021207
"1008175"	497.334976	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2ACN+H"	83.060376
"1529581"	498.328608	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+IsoProp+Na+H"	84.054008
"999310"	249.171126	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+2ACN+2H"	84.067652
"1598188"	499.243228	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+K+HCOOH"	84.968628
"1422754"	529.274738	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+H+CF3COOH"	115.000138
"1155228"	269.684401	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+3ACN+2H"	125.094202
"1705873"	546.301285	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+NH4+CF3COOH"	132.026685
"1637153"	551.25668	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+Na+CF3COOH"	136.98208
"1574991"	567.23062	"C11171"	"Sodium deoxycholate"	"C24H39O4Na"	"414.2746"	"M+K+CF3COOH"	152.95602
"808638"	201.0781	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M"	0
"978891"	182.05971	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-H2O-H"	-19.01839
"66039"	133.044790666667	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M-3H"	-3.021828
"505598"	200.070824	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M-3H"	-3.021828
"886677"	66.0187573333333	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-3H"	-3.021828
"6346"	200.070824	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M-2H"	-2.014552
"442992"	300.609874	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M-2H"	-2.014552
"821524"	99.531774	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-2H"	-2.014552
"86983"	401.148924	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M-H"	-1.007276
"532011"	602.227024	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M-H"	-1.007276
"909812"	200.070824	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-H"	-1.007276
"58719"	418.175471	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M-2H+NH4"	16.019271
"496092"	619.253571	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M-2H+NH4"	16.019271
"867698"	217.097371	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-2H+NH4"	16.019271
"38519"	423.130866	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M-2H+Na"	20.974666
"478077"	624.208966	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M-2H+Na"	20.974666
"856976"	222.052766	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-2H+Na"	20.974666
"1624320"	222.052766	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Na-2H"	20.974666
"104129"	218.059163	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M-H+Cl"	33.962126
"544784"	318.598213	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M-H+Cl"	33.962126
"937210"	117.520113	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-H+Cl"	33.962126
"274677"	437.125602	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+Cl"	34.969402
"670378"	638.203702	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+Cl"	34.969402
"1283874"	236.047502	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Cl"	34.969402
"23150"	439.104806	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M-2H+K"	36.948606
"460160"	640.182906	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M-2H+K"	36.948606
"840513"	238.026706	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-2H+K"	36.948606
"1561819"	238.026706	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+K-2H"	36.948606
"948605"	246.076294	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-H+HCOOH"	44.998194
"367919"	447.154401	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+HCOOH-H"	44.998201
"353990"	461.170051	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+Hac-H"	59.013851
"1496624"	260.091951	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Hac-H"	59.013851
"962707"	268.058251	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-H+NaCOOH"	66.980151
"115987"	236.047502	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+2Cl"	69.938804
"555547"	336.586552	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+2Cl"	69.938804
"1026541"	135.508452	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2Cl"	69.938804
"1248305"	279.996985	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Br"	78.918885
"1308571"	282.052972	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Cl+HCOOH"	80.974872
"1326067"	304.034929	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Cl+NaCOOH"	102.956829
"914937"	314.063686	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M-H+CF3COOH"	112.985586
"1297119"	350.040364	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Cl+CF3COOH"	148.962264
"1373096"	166.065424	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H-2H2O"	-35.012676
"1386217"	184.0754	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H-H2O"	-17.0027
"286995"	403.163476	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+H"	1.007276
"676252"	604.241576	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+H"	1.007276
"1354672"	202.085376	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H"	1.007276
"128655"	202.085376	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+2H"	2.014552
"567120"	302.624426	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+2H"	2.014552
"1037859"	101.546326	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2H"	2.014552
"204787"	135.059342666667	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+3H"	3.021828
"644587"	202.085376	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+3H"	3.021828
"1163202"	68.0333093333333	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+3H"	3.021828
"425258"	420.190023	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+NH4"	18.033823
"785850"	621.268123	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+NH4"	18.033823
"1681383"	219.111923	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+NH4"	18.033823
"343515"	210.5986495	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+H+NH4"	19.041099
"735938"	311.1376995	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+H+NH4"	19.041099
"1491943"	110.0595995	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H+NH4"	19.041099
"400781"	425.145418	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+Na"	22.989218
"760680"	626.223518	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+Na"	22.989218
"1612059"	224.067318	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Na"	22.989218
"321008"	213.076347	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+H+Na"	23.996494
"712337"	313.615397	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+H+Na"	23.996494
"1466155"	112.537297	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H+Na"	23.996494
"1055391"	75.3606233333333	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2H+Na"	25.00377
"1262170"	234.111586	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+CH3OH+H"	33.033486
"380023"	441.119358	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+K"	38.963158
"740654"	642.197458	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+K"	38.963158
"1542707"	240.041258	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+K"	38.963158
"301338"	221.063317	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+H+K"	39.970434
"695581"	321.602367	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+H+K"	39.970434
"1455961"	120.524267	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H+K"	39.970434
"242375"	444.190026	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+ACN+H"	42.033826
"1211801"	243.111926	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+ACN+H"	42.033826
"1194712"	122.059601	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+ACN+2H"	43.041102
"189406"	447.12736	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+2Na-H"	44.97116
"629207"	648.20546	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+2Na-H"	44.97116
"1131906"	246.04926	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2Na-H"	44.97116
"173006"	224.067318	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+2Na"	45.978436
"614353"	324.606368	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+2Na"	45.978436
"1119082"	123.528268	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2Na"	45.978436
"1406981"	82.6879373333333	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H+2Na"	46.985712
"1441292"	248.090846	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H+HCOOH"	47.012746
"231719"	229.10034	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+3H2O+2H"	56.04448
"1523555"	262.14289	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+IsoProp+H"	61.06479
"422019"	232.054288	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+Na+K"	61.952376
"778641"	332.593338	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+Na+K"	61.952376
"1672783"	131.515238	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Na+K"	61.952376
"259304"	466.171968	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+ACN+Na"	64.015768
"1232377"	265.093868	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+ACN+Na"	64.015768
"1716161"	265.117393	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+NH4+HCOOH"	64.039293
"1183702"	90.0152513333333	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+3Na"	68.967654
"1657244"	270.072788	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Na+HCOOH"	68.994688
"161919"	479.07524	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+2K-H"	76.91904
"605490"	680.15334	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+2K-H"	76.91904
"1095835"	277.99714	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2K-H"	76.91904
"154113"	240.041258	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"2M+2K"	77.926316
"594766"	340.580308	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"3M+2K"	77.926316
"1074537"	139.502208	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2K"	77.926316
"1103372"	280.011692	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2K+H"	78.933592
"1336962"	280.099307	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+DMSO+H"	79.021207
"1010472"	284.138476	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2ACN+H"	83.060376
"1530784"	285.132108	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+IsoProp+Na+H"	84.054008
"1000514"	142.572876	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+2ACN+2H"	84.067652
"1593923"	286.046728	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+K+HCOOH"	84.968628
"1419582"	316.078238	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+H+CF3COOH"	115.000138
"1155338"	163.086151	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+3ACN+2H"	125.094202
"1705983"	333.104785	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+NH4+CF3COOH"	132.026685
"1636169"	338.06018	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+Na+CF3COOH"	136.98208
"1571820"	354.03412	"C11172"	"Simazine"	"C7H12ClN5"	"201.0781"	"M+K+CF3COOH"	152.95602
"815188"	392.1372	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M"	0
"977178"	373.11881	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-H2O-H"	-19.01839
"66148"	260.417524	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M-3H"	-3.021828
"505708"	391.129924	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M-3H"	-3.021828
"884601"	129.705124	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-3H"	-3.021828
"6456"	391.129924	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M-2H"	-2.014552
"445288"	587.198524	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M-2H"	-2.014552
"821267"	195.061324	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-2H"	-2.014552
"83084"	783.267124	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M-H"	-1.007276
"523373"	1175.404324	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M-H"	-1.007276
"900081"	391.129924	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-H"	-1.007276
"61747"	800.293671	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M-2H+NH4"	16.019271
"496203"	1192.430871	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M-2H+NH4"	16.019271
"865620"	408.156471	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-2H+NH4"	16.019271
"38629"	805.249066	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M-2H+Na"	20.974666
"479281"	1197.386266	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M-2H+Na"	20.974666
"858179"	413.111866	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-2H+Na"	20.974666
"1629899"	413.111866	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Na-2H"	20.974666
"108250"	409.118263	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M-H+Cl"	33.962126
"545628"	605.186863	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M-H+Cl"	33.962126
"936591"	213.049663	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-H+Cl"	33.962126
"274787"	819.243802	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+Cl"	34.969402
"669395"	1211.381002	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+Cl"	34.969402
"1281796"	427.106602	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Cl"	34.969402
"26541"	821.223006	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M-2H+K"	36.948606
"462822"	1213.360206	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M-2H+K"	36.948606
"841716"	429.085806	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-2H+K"	36.948606
"1564107"	429.085806	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+K-2H"	36.948606
"951990"	437.135394	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-H+HCOOH"	44.998194
"368029"	829.272601	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+HCOOH-H"	44.998201
"351907"	843.288251	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+Hac-H"	59.013851
"1495641"	451.151051	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Hac-H"	59.013851
"962817"	459.117351	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-H+NaCOOH"	66.980151
"117190"	427.106602	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+2Cl"	69.938804
"556750"	623.175202	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+2Cl"	69.938804
"1026651"	231.038002	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2Cl"	69.938804
"1248412"	471.056085	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Br"	78.918885
"1305033"	473.112072	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Cl+HCOOH"	80.974872
"1326169"	495.094029	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Cl+NaCOOH"	102.956829
"913949"	505.122786	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M-H+CF3COOH"	112.985586
"1300509"	541.099464	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Cl+CF3COOH"	148.962264
"1373206"	357.124524	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H-2H2O"	-35.012676
"1386327"	375.1345	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H-H2O"	-17.0027
"285283"	785.281676	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+H"	1.007276
"676000"	1177.418876	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+H"	1.007276
"1353689"	393.144476	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H"	1.007276
"128764"	393.144476	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+2H"	2.014552
"566256"	589.213076	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+2H"	2.014552
"1037358"	197.075876	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2H"	2.014552
"204693"	262.432076	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+3H"	3.021828
"644695"	393.144476	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+3H"	3.021828
"1163190"	131.719676	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+3H"	3.021828
"424559"	802.308223	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+NH4"	18.033823
"785997"	1194.445423	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+NH4"	18.033823
"1681425"	410.171023	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+NH4"	18.033823
"341438"	401.6577495	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+H+NH4"	19.041099
"731671"	597.7263495	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+H+NH4"	19.041099
"1485490"	205.5891495	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H+NH4"	19.041099
"397242"	807.263618	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+Na"	22.989218
"762976"	1199.400818	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+Na"	22.989218
"1608889"	415.126418	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Na"	22.989218
"318931"	404.135447	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+H+Na"	23.996494
"714634"	600.204047	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+H+Na"	23.996494
"1469546"	208.066847	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H+Na"	23.996494
"1056959"	139.04699	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2H+Na"	25.00377
"1259366"	425.170686	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+CH3OH+H"	33.033486
"379769"	823.237558	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+K"	38.963158
"741857"	1215.374758	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+K"	38.963158
"1542816"	431.100358	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+K"	38.963158
"301084"	412.122417	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+H+K"	39.970434
"695691"	608.191017	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+H+K"	39.970434
"1457164"	216.053817	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H+K"	39.970434
"242487"	826.308226	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+ACN+H"	42.033826
"1214464"	434.171026	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+ACN+H"	42.033826
"1196891"	217.589151	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+ACN+2H"	43.041102
"188620"	829.24556	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+2Na-H"	44.97116
"628712"	1221.38276	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+2Na-H"	44.97116
"1132099"	437.10836	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2Na-H"	44.97116
"173002"	415.126418	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+2Na"	45.978436
"612810"	611.195018	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+2Na"	45.978436
"1117730"	219.057818	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2Na"	45.978436
"1404175"	146.374304	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H+2Na"	46.985712
"1441402"	439.149946	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H+HCOOH"	47.012746
"232193"	420.15944	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+3H2O+2H"	56.04448
"1522446"	453.20199	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+IsoProp+H"	61.06479
"422129"	423.113388	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+Na+K"	61.952376
"778751"	619.181988	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+Na+K"	61.952376
"1673257"	227.044788	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Na+K"	61.952376
"258684"	848.290168	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+ACN+Na"	64.015768
"1233216"	456.152968	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+ACN+Na"	64.015768
"1715541"	456.176493	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+NH4+HCOOH"	64.039293
"1180896"	153.701618	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+3Na"	68.967654
"1653707"	461.131888	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Na+HCOOH"	68.994688
"158745"	861.19344	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+2K-H"	76.91904
"602681"	1253.33064	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+2K-H"	76.91904
"1093393"	469.05624	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2K-H"	76.91904
"152761"	431.100358	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"2M+2K"	77.926316
"593053"	627.168958	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"3M+2K"	77.926316
"1074647"	235.031758	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2K"	77.926316
"1103482"	471.070792	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2K+H"	78.933592
"1337193"	471.158407	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+DMSO+H"	79.021207
"1010581"	475.197576	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2ACN+H"	83.060376
"1533081"	476.191208	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+IsoProp+Na+H"	84.054008
"1000622"	238.102426	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+2ACN+2H"	84.067652
"1596219"	477.105828	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+K+HCOOH"	84.968628
"1422972"	507.137338	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+H+CF3COOH"	115.000138
"1152168"	258.615701	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+3ACN+2H"	125.094202
"1706093"	524.163885	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+NH4+CF3COOH"	132.026685
"1636643"	529.11928	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+Na+CF3COOH"	136.98208
"1575211"	545.09322	"C11173"	"SN-38"	"C22H20N2O5"	"392.1372"	"M+K+CF3COOH"	152.95602
"814326"	739.8277	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M"	0
"985674"	720.80931	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H2O-H"	-19.01839
"72822"	492.211190666667	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-3H"	-3.021828
"505819"	738.820424	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-3H"	-3.021828
"883619"	245.601957333333	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-3H"	-3.021828
"1466"	738.820424	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H"	-2.014552
"445039"	1108.734274	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H"	-2.014552
"819559"	368.906574	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H"	-2.014552
"81739"	1478.648124	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-H"	-1.007276
"520688"	2218.475824	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-H"	-1.007276
"896303"	738.820424	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H"	-1.007276
"51285"	1495.674671	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H+NH4"	16.019271
"491939"	2235.502371	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H+NH4"	16.019271
"864881"	755.846971	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H+NH4"	16.019271
"33393"	1500.630066	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H+Na"	20.974666
"476111"	2240.457766	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H+Na"	20.974666
"860477"	760.802366	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H+Na"	20.974666
"1630739"	760.802366	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na-2H"	20.974666
"107267"	756.808763	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-H+Cl"	33.962126
"545009"	1126.722613	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-H+Cl"	33.962126
"939255"	386.894913	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+Cl"	33.962126
"274897"	1514.624802	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Cl"	34.969402
"670232"	2254.452502	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+Cl"	34.969402
"1281906"	774.797102	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl"	34.969402
"26651"	1516.604006	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H+K"	36.948606
"465117"	2256.431706	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H+K"	36.948606
"840367"	776.776306	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H+K"	36.948606
"1564217"	776.776306	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K-2H"	36.948606
"952102"	784.825894	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+HCOOH"	44.998194
"363766"	1524.653601	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+HCOOH-H"	44.998201
"353109"	1538.669251	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Hac-H"	59.013851
"1496477"	798.841551	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Hac-H"	59.013851
"963288"	806.807851	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+NaCOOH"	66.980151
"120581"	774.797102	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2Cl"	69.938804
"556866"	1144.710952	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2Cl"	69.938804
"1025666"	404.883252	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2Cl"	69.938804
"1248522"	818.746585	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Br"	78.918885
"1304777"	820.802572	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl+HCOOH"	80.974872
"1324458"	842.784529	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl+NaCOOH"	102.956829
"913698"	852.813286	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+CF3COOH"	112.985586
"1299526"	888.789964	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl+CF3COOH"	148.962264
"1373316"	704.815024	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H-2H2O"	-35.012676
"1386438"	722.825	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H-H2O"	-17.0027
"287217"	1480.662676	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H"	1.007276
"675686"	2220.490376	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H"	1.007276
"1353434"	740.834976	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H"	1.007276
"127781"	740.834976	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2H"	2.014552
"566977"	1110.748826	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2H"	2.014552
"1037833"	370.921126	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2H"	2.014552
"205489"	494.225742666667	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+3H"	3.021828
"644562"	740.834976	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+3H"	3.021828
"1164273"	247.616509333333	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+3H"	3.021828
"424625"	1497.689223	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+NH4"	18.033823
"785944"	2237.516923	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+NH4"	18.033823
"1682072"	757.861523	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+NH4"	18.033823
"341549"	749.3482495	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H+NH4"	19.041099
"731781"	1119.2620995	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H+NH4"	19.041099
"1481227"	379.4343995	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+NH4"	19.041099
"398812"	1502.644618	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Na"	22.989218
"757619"	2242.472318	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+Na"	22.989218
"1607906"	762.816918	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na"	22.989218
"322323"	751.825947	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H+Na"	23.996494
"718026"	1121.739797	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H+Na"	23.996494
"1467472"	381.912097	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+Na"	23.996494
"1055976"	254.943823333333	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2H+Na"	25.00377
"1260208"	772.861186	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+CH3OH+H"	33.033486
"380972"	1518.618558	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+K"	38.963158
"743060"	2258.446258	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+K"	38.963158
"1541834"	778.790858	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K"	38.963158
"302289"	759.812917	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H+K"	39.970434
"692522"	1129.726767	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H+K"	39.970434
"1449621"	389.899067	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+K"	39.970434
"237858"	1521.689226	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+ACN+H"	42.033826
"1212754"	781.861526	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+ACN+H"	42.033826
"1195908"	391.434401	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+ACN+2H"	43.041102
"188811"	1524.62656	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2Na-H"	44.97116
"632711"	2264.45426	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2Na-H"	44.97116
"1131556"	784.79886	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2Na-H"	44.97116
"175863"	762.816918	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2Na"	45.978436
"613720"	1132.730768	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2Na"	45.978436
"1117835"	392.903068	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2Na"	45.978436
"1402455"	262.271137333333	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+2Na"	46.985712
"1430438"	786.840446	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+HCOOH"	47.012746
"233393"	767.84994	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+3H2O+2H"	56.04448
"1523283"	800.89249	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+IsoProp+H"	61.06479
"413492"	770.803888	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Na+K"	61.952376
"777768"	1140.717738	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+Na+K"	61.952376
"1670088"	400.890038	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na+K"	61.952376
"257337"	1543.671168	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+ACN+Na"	64.015768
"1231140"	803.843468	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+ACN+Na"	64.015768
"1715287"	803.866993	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+NH4+HCOOH"	64.039293
"1180642"	269.598451333333	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+3Na"	68.967654
"1653817"	808.822388	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na+HCOOH"	68.994688
"158855"	1556.57444	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2K-H"	76.91904
"601698"	2296.40214	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2K-H"	76.91904
"1095691"	816.74674	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2K-H"	76.91904
"151778"	778.790858	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2K"	77.926316
"593164"	1148.704708	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2K"	77.926316
"1074757"	408.877008	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2K"	77.926316
"1106873"	818.761292	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2K+H"	78.933592
"1337790"	818.848907	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+DMSO+H"	79.021207
"1011786"	822.888076	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2ACN+H"	83.060376
"1535379"	823.881708	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+IsoProp+Na+H"	84.054008
"1002193"	411.947676	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2ACN+2H"	84.067652
"1597424"	824.796328	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K+HCOOH"	84.968628
"1424177"	854.827838	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+CF3COOH"	115.000138
"1155558"	432.460951	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+3ACN+2H"	125.094202
"1706203"	871.854385	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+NH4+CF3COOH"	132.026685
"1638576"	876.80978	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na+CF3COOH"	136.98208
"1575321"	892.78372	"C11174"	"1-Diphosinositol pentakisphosphate;D-myo-Inositol 23456-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);Diphospho-myo-inositol pentakisphosphate;1D-myo-Inositol 1-diphosphate 23456-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K+CF3COOH"	152.95602
"812250"	473.0853	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M"	0
"979220"	454.06691	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-H2O-H"	-19.01839
"65274"	314.382924	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M-3H"	-3.021828
"514679"	472.078024	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M-3H"	-3.021828
"883731"	156.687824	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-3H"	-3.021828
"6680"	472.078024	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M-2H"	-2.014552
"445149"	708.620674	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M-2H"	-2.014552
"820762"	235.535374	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-2H"	-2.014552
"81849"	945.163324	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M-H"	-1.007276
"527973"	1418.248624	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M-H"	-1.007276
"896089"	472.078024	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-H"	-1.007276
"47867"	962.189871	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M-2H+NH4"	16.019271
"488894"	1435.275171	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M-2H+NH4"	16.019271
"865599"	489.104571	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-2H+NH4"	16.019271
"41767"	967.145266	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M-2H+Na"	20.974666
"485587"	1440.230566	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M-2H+Na"	20.974666
"863514"	494.059966	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-2H+Na"	20.974666
"1633735"	494.059966	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Na-2H"	20.974666
"104833"	490.066363	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M-H+Cl"	33.962126
"548648"	726.609013	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M-H+Cl"	33.962126
"937542"	253.523713	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-H+Cl"	33.962126
"277193"	981.140002	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+Cl"	34.969402
"674114"	1454.225302	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+Cl"	34.969402
"1285662"	508.054702	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Cl"	34.969402
"26761"	983.119206	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M-2H+K"	36.948606
"464135"	1456.204506	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M-2H+K"	36.948606
"837928"	510.033906	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-2H+K"	36.948606
"1558503"	510.033906	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+K-2H"	36.948606
"951484"	518.083494	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-H+HCOOH"	44.998194
"364969"	991.168801	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+HCOOH-H"	44.998201
"352134"	1005.184451	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+Hac-H"	59.013851
"1497685"	532.099151	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Hac-H"	59.013851
"964132"	540.065451	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-H+NaCOOH"	66.980151
"115226"	508.054702	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+2Cl"	69.938804
"554789"	744.597352	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+2Cl"	69.938804
"1030153"	271.512052	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2Cl"	69.938804
"1246448"	552.004185	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Br"	78.918885
"1311089"	554.060172	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Cl+HCOOH"	80.974872
"1327492"	576.042129	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Cl+NaCOOH"	102.956829
"914176"	586.070886	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M-H+CF3COOH"	112.985586
"1302802"	622.047564	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Cl+CF3COOH"	148.962264
"1378895"	438.072624	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H-2H2O"	-35.012676
"1393110"	456.0826	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H-H2O"	-17.0027
"294620"	947.177876	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+H"	1.007276
"680847"	1420.263176	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+H"	1.007276
"1356101"	474.092576	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H"	1.007276
"131177"	474.092576	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+2H"	2.014552
"568549"	710.635226	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+2H"	2.014552
"1040629"	237.549926	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2H"	2.014552
"206701"	316.397476	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+3H"	3.021828
"645531"	474.092576	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+3H"	3.021828
"1164386"	158.702376	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+3H"	3.021828
"425470"	964.204423	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+NH4"	18.033823
"787927"	1437.289723	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+NH4"	18.033823
"1683896"	491.119123	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+NH4"	18.033823
"343849"	482.6058495	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+H+NH4"	19.041099
"732989"	719.1484995	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+H+NH4"	19.041099
"1491182"	246.0631995	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H+NH4"	19.041099
"404391"	969.159818	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+Na"	22.989218
"763197"	1442.245118	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+Na"	22.989218
"1609109"	496.074518	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Na"	22.989218
"326809"	485.083547	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+H+Na"	23.996494
"720690"	721.626197	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+H+Na"	23.996494
"1471958"	248.540897	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H+Na"	23.996494
"1060832"	166.02969	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2H+Na"	25.00377
"1262510"	506.118786	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+CH3OH+H"	33.033486
"381086"	985.133758	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+K"	38.963158
"746455"	1458.219058	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+K"	38.963158
"1543036"	512.048458	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+K"	38.963158
"301307"	493.070517	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+H+K"	39.970434
"692633"	729.613167	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+H+K"	39.970434
"1449005"	256.527867	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H+K"	39.970434
"240520"	988.204426	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+ACN+H"	42.033826
"1217603"	515.119126	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+ACN+H"	42.033826
"1194679"	258.063201	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+ACN+2H"	43.041102
"188883"	991.14176	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+2Na-H"	44.97116
"629052"	1464.22706	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+2Na-H"	44.97116
"1133414"	518.05646	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2Na-H"	44.97116
"173216"	496.074518	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+2Na"	45.978436
"613260"	732.617168	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+2Na"	45.978436
"1119775"	259.531868	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2Na"	45.978436
"1402569"	173.357004	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H+2Na"	46.985712
"1431403"	520.098046	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H+HCOOH"	47.012746
"234232"	501.10754	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+3H2O+2H"	56.04448
"1515005"	534.15009	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+IsoProp+H"	61.06479
"419066"	504.061488	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+Na+K"	61.952376
"772405"	740.604138	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+Na+K"	61.952376
"1669830"	267.518838	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Na+K"	61.952376
"252096"	1010.186368	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+ACN+Na"	64.015768
"1229061"	537.101068	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+ACN+Na"	64.015768
"1715028"	537.124593	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+NH4+HCOOH"	64.039293
"1180386"	180.684318	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+3Na"	68.967654
"1650883"	542.079988	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Na+HCOOH"	68.994688
"157623"	1023.08964	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+2K-H"	76.91904
"601808"	1496.17494	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+2K-H"	76.91904
"1084738"	550.00434	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2K-H"	76.91904
"146418"	512.048458	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"2M+2K"	77.926316
"581846"	748.591108	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"3M+2K"	77.926316
"1071584"	275.505808	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2K"	77.926316
"1101145"	552.018892	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2K+H"	78.933592
"1337899"	552.106507	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+DMSO+H"	79.021207
"1011896"	556.145676	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2ACN+H"	83.060376
"1535490"	557.139308	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+IsoProp+Na+H"	84.054008
"1000478"	278.576476	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+2ACN+2H"	84.067652
"1597169"	558.053928	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+K+HCOOH"	84.968628
"1425380"	588.085438	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+H+CF3COOH"	115.000138
"1155668"	299.089751	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+3ACN+2H"	125.094202
"1709593"	605.111985	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+NH4+CF3COOH"	132.026685
"1638686"	610.06738	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+Na+CF3COOH"	136.98208
"1575431"	626.04132	"C11175"	"S-(24-Dinitrophenyl)glutathione"	"C16H19N5O10S"	"473.0853"	"M+K+CF3COOH"	152.95602
"805798"	478.2023	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M"	0
"976051"	459.18391	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-H2O-H"	-19.01839
"64289"	317.794257333333	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M-3H"	-3.021828
"505307"	477.195024	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M-3H"	-3.021828
"882015"	158.393490666667	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-3H"	-3.021828
"1682"	477.195024	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M-2H"	-2.014552
"441125"	716.296174	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M-2H"	-2.014552
"820143"	238.093874	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-2H"	-2.014552
"80500"	955.397324	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M-H"	-1.007276
"518998"	1433.599624	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M-H"	-1.007276
"896520"	477.195024	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-H"	-1.007276
"47408"	972.423871	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M-2H+NH4"	16.019271
"487299"	1450.626171	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M-2H+NH4"	16.019271
"864648"	494.221571	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-2H+NH4"	16.019271
"38961"	977.379266	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M-2H+Na"	20.974666
"482899"	1455.581566	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M-2H+Na"	20.974666
"862527"	499.176966	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-2H+Na"	20.974666
"1631695"	499.176966	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Na-2H"	20.974666
"106400"	495.183363	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M-H+Cl"	33.962126
"547783"	734.284513	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M-H+Cl"	33.962126
"938744"	256.082213	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-H+Cl"	33.962126
"276210"	991.374002	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+Cl"	34.969402
"674224"	1469.576302	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+Cl"	34.969402
"1286500"	513.171702	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Cl"	34.969402
"27964"	993.353206	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M-2H+K"	36.948606
"463152"	1471.555506	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M-2H+K"	36.948606
"838402"	515.150906	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-2H+K"	36.948606
"1559342"	515.150906	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+K-2H"	36.948606
"951230"	523.200494	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-H+HCOOH"	44.998194
"363986"	1001.402801	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+HCOOH-H"	44.998201
"352244"	1015.418451	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+Hac-H"	59.013851
"1496702"	537.216151	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Hac-H"	59.013851
"963149"	545.182451	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-H+NaCOOH"	66.980151
"114243"	513.171702	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+2Cl"	69.938804
"558180"	752.272852	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+2Cl"	69.938804
"1030263"	274.070552	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2Cl"	69.938804
"1248746"	557.121185	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Br"	78.918885
"1311199"	559.177172	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Cl+HCOOH"	80.974872
"1327602"	581.159129	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Cl+NaCOOH"	102.956829
"915379"	591.187886	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M-H+CF3COOH"	112.985586
"1301213"	627.164564	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Cl+CF3COOH"	148.962264
"1379005"	443.189624	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H-2H2O"	-35.012676
"1395409"	461.1996	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H-H2O"	-17.0027
"294001"	957.411876	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+H"	1.007276
"679864"	1435.614176	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+H"	1.007276
"1356211"	479.209576	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H"	1.007276
"129100"	479.209576	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+2H"	2.014552
"568659"	718.310726	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+2H"	2.014552
"1041103"	240.108426	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2H"	2.014552
"206446"	319.808809333333	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+3H"	3.021828
"644668"	479.209576	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+3H"	3.021828
"1163036"	160.408042666667	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+3H"	3.021828
"426311"	974.438423	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+NH4"	18.033823
"789863"	1452.640723	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+NH4"	18.033823
"1682669"	496.236123	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+NH4"	18.033823
"342865"	487.7228495	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+H+NH4"	19.041099
"732006"	726.8239995	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+H+NH4"	19.041099
"1490199"	248.6216995	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H+NH4"	19.041099
"404502"	979.393818	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+Na"	22.989218
"761121"	1457.596118	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+Na"	22.989218
"1610313"	501.191518	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Na"	22.989218
"328014"	490.200547	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+H+Na"	23.996494
"720071"	729.301697	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+H+Na"	23.996494
"1466600"	251.099397	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H+Na"	23.996494
"1062767"	167.735356666667	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2H+Na"	25.00377
"1268820"	511.235786	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+CH3OH+H"	33.033486
"388488"	995.367758	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+K"	38.963158
"746566"	1473.570058	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+K"	38.963158
"1540473"	517.165458	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+K"	38.963158
"299104"	498.187517	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+H+K"	39.970434
"692500"	737.288667	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+H+K"	39.970434
"1448384"	259.086367	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H+K"	39.970434
"238078"	998.438426	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+ACN+H"	42.033826
"1216621"	520.236126	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+ACN+H"	42.033826
"1194376"	260.621701	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+ACN+2H"	43.041102
"189360"	1001.37576	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+2Na-H"	44.97116
"628757"	1479.57806	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+2Na-H"	44.97116
"1132673"	523.17346	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2Na-H"	44.97116
"173287"	501.191518	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+2Na"	45.978436
"615278"	740.292668	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+2Na"	45.978436
"1119885"	262.090368	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2Na"	45.978436
"1399763"	175.062670666667	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H+2Na"	46.985712
"1430661"	525.215046	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H+HCOOH"	47.012746
"233247"	506.22454	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+3H2O+2H"	56.04448
"1518397"	539.26709	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+IsoProp+H"	61.06479
"419176"	509.178488	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+Na+K"	61.952376
"776891"	748.279638	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+Na+K"	61.952376
"1671035"	270.077338	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Na+K"	61.952376
"255368"	1020.420368	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+ACN+Na"	64.015768
"1228076"	542.218068	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+ACN+Na"	64.015768
"1714169"	542.241593	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+NH4+HCOOH"	64.039293
"1180249"	182.389984666667	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+3Na"	68.967654
"1651844"	547.196988	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Na+HCOOH"	68.994688
"157857"	1033.32364	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+2K-H"	76.91904
"600825"	1511.52594	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+2K-H"	76.91904
"1095183"	555.12134	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2K-H"	76.91904
"147990"	517.165458	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"2M+2K"	77.926316
"589737"	756.266608	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"3M+2K"	77.926316
"1074613"	278.064308	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2K"	77.926316
"1103813"	557.135892	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2K+H"	78.933592
"1337279"	557.223507	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+DMSO+H"	79.021207
"1013099"	561.262676	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2ACN+H"	83.060376
"1535600"	562.256308	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+IsoProp+Na+H"	84.054008
"1002049"	281.134976	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+2ACN+2H"	84.067652
"1595456"	563.170928	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+K+HCOOH"	84.968628
"1425490"	593.202438	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+H+CF3COOH"	115.000138
"1155778"	301.648251	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+3ACN+2H"	125.094202
"1706423"	610.228985	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+NH4+CF3COOH"	132.026685
"1638796"	615.18438	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+Na+CF3COOH"	136.98208
"1575541"	631.15832	"C11177"	"Rhodamine 6G"	"C28H31N2O3Cl"	"478.2023"	"M+K+CF3COOH"	152.95602
"815749"	229.0375	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M"	0
"982722"	210.01911	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-H2O-H"	-19.01839
"70963"	151.684390666667	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M-3H"	-3.021828
"506147"	228.030224	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M-3H"	-3.021828
"880666"	75.3385573333333	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-3H"	-3.021828
"1064"	228.030224	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M-2H"	-2.014552
"442448"	342.548974	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M-2H"	-2.014552
"819523"	113.511474	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-2H"	-2.014552
"78607"	457.067724	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M-H"	-1.007276
"518625"	686.105224	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M-H"	-1.007276
"895708"	228.030224	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-H"	-1.007276
"48446"	474.094271	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M-2H+NH4"	16.019271
"488493"	703.131771	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M-2H+NH4"	16.019271
"866050"	245.056771	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-2H+NH4"	16.019271
"31654"	479.049666	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M-2H+Na"	20.974666
"471822"	708.087166	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M-2H+Na"	20.974666
"860810"	250.012166	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-2H+Na"	20.974666
"1631439"	250.012166	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Na-2H"	20.974666
"103593"	246.018563	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M-H+Cl"	33.962126
"545340"	360.537313	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M-H+Cl"	33.962126
"936670"	131.499813	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-H+Cl"	33.962126
"274133"	493.044402	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+Cl"	34.969402
"673115"	722.081902	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+Cl"	34.969402
"1281144"	264.006902	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Cl"	34.969402
"21514"	495.023606	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M-2H+K"	36.948606
"460345"	724.061106	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M-2H+K"	36.948606
"835597"	265.986106	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-2H+K"	36.948606
"1559084"	265.986106	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+K-2H"	36.948606
"945508"	274.035694	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-H+HCOOH"	44.998194
"365189"	503.073201	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+HCOOH-H"	44.998201
"347981"	517.088851	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+Hac-H"	59.013851
"1496811"	288.051351	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Hac-H"	59.013851
"960340"	296.017651	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-H+NaCOOH"	66.980151
"112529"	264.006902	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+2Cl"	69.938804
"557197"	378.525652	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+2Cl"	69.938804
"1030373"	149.488152	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2Cl"	69.938804
"1248854"	307.956385	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Br"	78.918885
"1311309"	310.012372	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Cl+HCOOH"	80.974872
"1327712"	331.994329	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Cl+NaCOOH"	102.956829
"913303"	342.023086	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M-H+CF3COOH"	112.985586
"1302414"	377.999764	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Cl+CF3COOH"	148.962264
"1376929"	194.024824	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H-2H2O"	-35.012676
"1392240"	212.0348	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H-H2O"	-17.0027
"293019"	459.082276	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+H"	1.007276
"678880"	688.119776	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+H"	1.007276
"1353038"	230.044776	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H"	1.007276
"128113"	230.044776	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+2H"	2.014552
"567673"	344.563526	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+2H"	2.014552
"1040847"	115.526026	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2H"	2.014552
"207285"	153.698942666667	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+3H"	3.021828
"644657"	230.044776	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+3H"	3.021828
"1163264"	77.3531093333333	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+3H"	3.021828
"426422"	476.108823	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+NH4"	18.033823
"788513"	705.146323	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+NH4"	18.033823
"1683021"	247.071323	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+NH4"	18.033823
"339692"	238.5580495	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+H+NH4"	19.041099
"729927"	353.0767995	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+H+NH4"	19.041099
"1490309"	124.0392995	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H+NH4"	19.041099
"403519"	481.064218	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+Na"	22.989218
"764512"	710.101718	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+Na"	22.989218
"1612609"	252.026718	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Na"	22.989218
"324843"	241.035747	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+H+Na"	23.996494
"721763"	355.554497	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+H+Na"	23.996494
"1467803"	126.516997	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H+Na"	23.996494
"1063606"	84.6804233333333	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2H+Na"	25.00377
"1270387"	262.070986	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+CH3OH+H"	33.033486
"387867"	497.038158	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+K"	38.963158
"745583"	726.075658	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+K"	38.963158
"1541073"	268.000658	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+K"	38.963158
"300798"	249.022717	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+H+K"	39.970434
"694311"	363.541467	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+H+K"	39.970434
"1449954"	134.503967	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H+K"	39.970434
"240012"	500.108826	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+ACN+H"	42.033826
"1220012"	271.071326	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+ACN+H"	42.033826
"1196238"	136.039301	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+ACN+2H"	43.041102
"189350"	503.04616	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+2Na-H"	44.97116
"629031"	732.08366	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+2Na-H"	44.97116
"1133027"	274.00866	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2Na-H"	44.97116
"173058"	252.026718	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+2Na"	45.978436
"613323"	366.545468	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+2Na"	45.978436
"1122914"	137.507968	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2Na"	45.978436
"1403155"	92.0077373333333	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H+2Na"	46.985712
"1431988"	276.050246	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H+HCOOH"	47.012746
"232627"	257.05974	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+3H2O+2H"	56.04448
"1518507"	290.10229	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+IsoProp+H"	61.06479
"421471"	260.013688	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+Na+K"	61.952376
"778093"	374.532438	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+Na+K"	61.952376
"1672602"	145.494938	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Na+K"	61.952376
"257665"	522.090768	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+ACN+Na"	64.015768
"1229280"	293.053268	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+ACN+Na"	64.015768
"1716343"	293.076793	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+NH4+HCOOH"	64.039293
"1182791"	99.3350513333333	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+3Na"	68.967654
"1653776"	298.032188	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Na+HCOOH"	68.994688
"163559"	534.99404	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+2K-H"	76.91904
"604215"	764.03154	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+2K-H"	76.91904
"1095293"	305.95654	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2K-H"	76.91904
"151380"	268.000658	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"2M+2K"	77.926316
"594950"	382.519408	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"3M+2K"	77.926316
"1078003"	153.481908	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2K"	77.926316
"1112307"	307.971092	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2K+H"	78.933592
"1346866"	308.058707	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+DMSO+H"	79.021207
"1014303"	312.097876	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2ACN+H"	83.060376
"1537534"	313.091508	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+IsoProp+Na+H"	84.054008
"1004595"	156.552576	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+2ACN+2H"	84.067652
"1602013"	314.006128	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+K+HCOOH"	84.968628
"1428154"	344.037638	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+H+CF3COOH"	115.000138
"1155888"	177.065851	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+3ACN+2H"	125.094202
"1712245"	361.064185	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+NH4+CF3COOH"	132.026685
"1641094"	366.01958	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+Na+CF3COOH"	136.98208
"1575651"	381.99352	"C11178"	"Resazurin"	"C12H7NO4"	"229.0375"	"M+K+CF3COOH"	152.95602
"806018"	302.1186	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M"	0
"982832"	283.10021	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-H2O-H"	-19.01839
"68887"	200.405124	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M-3H"	-3.021828
"503137"	301.111324	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M-3H"	-3.021828
"880031"	99.698924	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-3H"	-3.021828
"487"	301.111324	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M-2H"	-2.014552
"440210"	452.170624	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M-2H"	-2.014552
"818905"	150.052024	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-2H"	-2.014552
"78737"	603.229924	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M-H"	-1.007276
"518818"	905.348524	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M-H"	-1.007276
"895714"	301.111324	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-H"	-1.007276
"47826"	620.256471	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M-2H+NH4"	16.019271
"487222"	922.375071	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M-2H+NH4"	16.019271
"864824"	318.137871	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-2H+NH4"	16.019271
"31568"	625.211866	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M-2H+Na"	20.974666
"471690"	927.330466	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M-2H+Na"	20.974666
"858734"	323.093266	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-2H+Na"	20.974666
"1631794"	323.093266	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Na-2H"	20.974666
"105889"	319.099663	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M-H+Cl"	33.962126
"543263"	470.158963	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M-H+Cl"	33.962126
"936781"	168.040363	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-H+Cl"	33.962126
"274243"	639.206602	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+Cl"	34.969402
"669945"	941.325202	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+Cl"	34.969402
"1279068"	337.088002	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Cl"	34.969402
"19437"	641.185806	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M-2H+K"	36.948606
"460095"	943.304406	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M-2H+K"	36.948606
"835712"	339.067206	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-2H+K"	36.948606
"1560655"	339.067206	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+K-2H"	36.948606
"945983"	347.116794	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-H+HCOOH"	44.998194
"366392"	649.235401	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+HCOOH-H"	44.998201
"350274"	663.251051	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+Hac-H"	59.013851
"1494735"	361.132451	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Hac-H"	59.013851
"960450"	369.098751	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-H+NaCOOH"	66.980151
"113729"	337.088002	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+2Cl"	69.938804
"564720"	488.147302	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+2Cl"	69.938804
"1030483"	186.028702	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2Cl"	69.938804
"1250058"	381.037485	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Br"	78.918885
"1311419"	383.093472	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Cl+HCOOH"	80.974872
"1327822"	405.075429	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Cl+NaCOOH"	102.956829
"913413"	415.104186	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M-H+CF3COOH"	112.985586
"1302527"	451.080864	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Cl+CF3COOH"	148.962264
"1380322"	267.105924	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H-2H2O"	-35.012676
"1392349"	285.1159	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H-H2O"	-17.0027
"293858"	605.244476	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+H"	1.007276
"676803"	907.363076	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+H"	1.007276
"1351689"	303.125876	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H"	1.007276
"127861"	303.125876	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+2H"	2.014552
"567785"	454.185176	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+2H"	2.014552
"1040229"	152.066576	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2H"	2.014552
"207398"	202.419676	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+3H"	3.021828
"645495"	303.125876	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+3H"	3.021828
"1162932"	101.713476	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+3H"	3.021828
"426166"	622.271023	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+NH4"	18.033823
"790082"	924.389623	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+NH4"	18.033823
"1684589"	320.152423	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+NH4"	18.033823
"337615"	311.6391495	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+H+NH4"	19.041099
"735503"	462.6984495	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+H+NH4"	19.041099
"1488232"	160.5798495	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H+NH4"	19.041099
"405815"	627.226418	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+Na"	22.989218
"763528"	929.345018	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+Na"	22.989218
"1607252"	325.107818	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Na"	22.989218
"324949"	314.116847	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+H+Na"	23.996494
"718461"	465.176147	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+H+Na"	23.996494
"1470099"	163.057547	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H+Na"	23.996494
"1062987"	109.04079	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2H+Na"	25.00377
"1270862"	335.152086	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+CH3OH+H"	33.033486
"390530"	643.200358	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+K"	38.963158
"750067"	945.318958	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+K"	38.963158
"1543370"	341.081758	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+K"	38.963158
"303825"	322.103817	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+H+K"	39.970434
"695150"	473.163117	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+H+K"	39.970434
"1449334"	171.044517	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H+K"	39.970434
"239393"	646.271026	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+ACN+H"	42.033826
"1219028"	344.152426	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+ACN+H"	42.033826
"1195009"	172.579851	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+ACN+2H"	43.041102
"189585"	649.20836	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+2Na-H"	44.97116
"628898"	951.32696	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+2Na-H"	44.97116
"1132773"	347.08976	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2Na-H"	44.97116
"174601"	325.107818	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+2Na"	45.978436
"613473"	476.167118	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+2Na"	45.978436
"1124117"	174.048518	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2Na"	45.978436
"1403268"	116.368104	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H+2Na"	46.985712
"1431370"	349.131346	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H+HCOOH"	47.012746
"232737"	330.14084	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+3H2O+2H"	56.04448
"1520798"	363.18339	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+IsoProp+H"	61.06479
"419395"	333.094788	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+Na+K"	61.952376
"777111"	484.154088	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+Na+K"	61.952376
"1671620"	182.035488	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Na+K"	61.952376
"259963"	668.252968	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+ACN+Na"	64.015768
"1229756"	366.134368	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+ACN+Na"	64.015768
"1716819"	366.157893	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+NH4+HCOOH"	64.039293
"1188007"	123.695418	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+3Na"	68.967654
"1655711"	371.113288	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Na+HCOOH"	68.994688
"159658"	681.15624	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+2K-H"	76.91904
"602138"	983.27484	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+2K-H"	76.91904
"1096131"	379.03764	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2K-H"	76.91904
"152218"	341.081758	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"2M+2K"	77.926316
"595060"	492.141058	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"3M+2K"	77.926316
"1080665"	190.022458	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2K"	77.926316
"1110593"	381.052192	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2K+H"	78.933592
"1343696"	381.139807	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+DMSO+H"	79.021207
"1014413"	385.178976	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2ACN+H"	83.060376
"1538981"	386.172608	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+IsoProp+Na+H"	84.054008
"1004825"	193.093126	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+2ACN+2H"	84.067652
"1602243"	387.087228	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+K+HCOOH"	84.968628
"1427898"	417.118738	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+H+CF3COOH"	115.000138
"1152718"	213.606401	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+3ACN+2H"	125.094202
"1709924"	434.145285	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+NH4+CF3COOH"	132.026685
"1641204"	439.10068	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+Na+CF3COOH"	136.98208
"1575761"	455.07462	"C11179"	"Pyronine Y;Pyronine"	"C17H19N2OCl"	"302.1186"	"M+K+CF3COOH"	152.95602
"814876"	199.1109	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M"	0
"982942"	180.09251	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-H2O-H"	-19.01839
"73372"	131.733324	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M-3H"	-3.021828
"506370"	198.103624	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M-3H"	-3.021828
"880279"	65.363024	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-3H"	-3.021828
"680"	198.103624	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M-2H"	-2.014552
"440355"	297.659074	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M-2H"	-2.014552
"817473"	98.548174	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-2H"	-2.014552
"78961"	397.214524	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M-H"	-1.007276
"518718"	596.325424	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M-H"	-1.007276
"895793"	198.103624	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-H"	-1.007276
"48058"	414.241071	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M-2H+NH4"	16.019271
"487738"	613.351971	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M-2H+NH4"	16.019271
"864691"	215.130171	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-2H+NH4"	16.019271
"31744"	419.196466	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M-2H+Na"	20.974666
"472652"	618.307366	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M-2H+Na"	20.974666
"855564"	220.085566	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-2H+Na"	20.974666
"1630566"	220.085566	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Na-2H"	20.974666
"105999"	216.091963	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M-H+Cl"	33.962126
"545195"	315.647413	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M-H+Cl"	33.962126
"940659"	116.536513	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-H+Cl"	33.962126
"281405"	433.191202	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+Cl"	34.969402
"668962"	632.302102	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+Cl"	34.969402
"1278448"	234.080302	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Cl"	34.969402
"20640"	435.170406	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M-2H+K"	36.948606
"463487"	634.281306	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M-2H+K"	36.948606
"834729"	236.059506	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-2H+K"	36.948606
"1559311"	236.059506	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+K-2H"	36.948606
"943910"	244.109094	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-H+HCOOH"	44.998194
"363223"	443.220001	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+HCOOH-H"	44.998201
"347105"	457.235651	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+Hac-H"	59.013851
"1494845"	258.124751	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Hac-H"	59.013851
"959830"	266.091051	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-H+NaCOOH"	66.980151
"114204"	234.080302	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+2Cl"	69.938804
"554136"	333.635752	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+2Cl"	69.938804
"1033872"	134.524852	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2Cl"	69.938804
"1251263"	278.029785	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Br"	78.918885
"1311528"	280.085772	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Cl+HCOOH"	80.974872
"1324650"	302.067729	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Cl+NaCOOH"	102.956829
"916802"	312.096486	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M-H+CF3COOH"	112.985586
"1301904"	348.073164	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Cl+CF3COOH"	148.962264
"1378243"	164.098224	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H-2H2O"	-35.012676
"1395738"	182.1082	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H-H2O"	-17.0027
"297246"	399.229076	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+H"	1.007276
"685664"	598.339976	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+H"	1.007276
"1362012"	200.118176	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H"	1.007276
"134900"	200.118176	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+2H"	2.014552
"576284"	299.673626	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+2H"	2.014552
"1048725"	100.562726	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2H"	2.014552
"207509"	133.747876	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+3H"	3.021828
"649257"	200.118176	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+3H"	3.021828
"1165557"	67.377576	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+3H"	3.021828
"426276"	416.255623	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+NH4"	18.033823
"789828"	615.366523	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+NH4"	18.033823
"1683241"	217.144723	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+NH4"	18.033823
"338820"	208.6314495	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+H+NH4"	19.041099
"733425"	308.1868995	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+H+NH4"	19.041099
"1485062"	109.0759995	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H+NH4"	19.041099
"404832"	421.211018	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+Na"	22.989218
"763640"	620.321918	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+Na"	22.989218
"1608457"	222.100118	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Na"	22.989218
"323967"	211.109147	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+H+Na"	23.996494
"718209"	310.664597	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+H+Na"	23.996494
"1470209"	111.553697	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H+Na"	23.996494
"1062733"	74.70489	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2H+Na"	25.00377
"1270972"	232.144386	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+CH3OH+H"	33.033486
"388453"	437.184958	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+K"	38.963158
"747991"	636.295858	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+K"	38.963158
"1545669"	238.074058	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+K"	38.963158
"303937"	219.096117	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+H+K"	39.970434
"695262"	318.651567	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+H+K"	39.970434
"1451268"	119.540667	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H+K"	39.970434
"242056"	440.255626	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+ACN+H"	42.033826
"1211118"	241.144726	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+ACN+H"	42.033826
"1194433"	121.076001	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+ACN+2H"	43.041102
"189451"	443.19296	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+2Na-H"	44.97116
"629130"	642.30386	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+2Na-H"	44.97116
"1131785"	244.08206	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2Na-H"	44.97116
"173416"	222.100118	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+2Na"	45.978436
"612925"	321.655568	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+2Na"	45.978436
"1126415"	122.544668	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2Na"	45.978436
"1413471"	82.032204	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H+2Na"	46.985712
"1436587"	246.123646	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H+HCOOH"	47.012746
"234551"	227.13314	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+3H2O+2H"	56.04448
"1520908"	260.17569	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+IsoProp+H"	61.06479
"420970"	230.087088	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+Na+K"	61.952376
"778317"	329.642538	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+Na+K"	61.952376
"1672461"	130.531638	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Na+K"	61.952376
"260076"	462.237568	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+ACN+Na"	64.015768
"1229867"	263.126668	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+ACN+Na"	64.015768
"1718391"	263.150193	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+NH4+HCOOH"	64.039293
"1184475"	89.359518	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+3Na"	68.967654
"1652544"	268.105588	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Na+HCOOH"	68.994688
"163416"	475.14084	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+2K-H"	76.91904
"602248"	674.25174	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+2K-H"	76.91904
"1094418"	276.02994	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2K-H"	76.91904
"151600"	238.074058	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"2M+2K"	77.926316
"588607"	337.629508	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"3M+2K"	77.926316
"1078587"	138.518608	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2K"	77.926316
"1110703"	278.044492	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2K+H"	78.933592
"1343806"	278.132107	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+DMSO+H"	79.021207
"1014523"	282.171276	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2ACN+H"	83.060376
"1539335"	283.164908	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+IsoProp+Na+H"	84.054008
"1005300"	141.589276	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+2ACN+2H"	84.067652
"1602354"	284.079528	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+K+HCOOH"	84.968628
"1429848"	314.111038	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+H+CF3COOH"	115.000138
"1162431"	162.102551	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+3ACN+2H"	125.094202
"1710034"	331.137585	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+NH4+CF3COOH"	132.026685
"1641314"	336.09298	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+Na+CF3COOH"	136.98208
"1585712"	352.06692	"C11180"	"Pyrimethanil"	"C12H13N3"	"199.1109"	"M+K+CF3COOH"	152.95602
"806238"	209.0953	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M"	0
"983052"	190.07691	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-H2O-H"	-19.01839
"69107"	138.389590666667	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M-3H"	-3.021828
"503924"	208.088024	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M-3H"	-3.021828
"880268"	68.6911573333333	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-3H"	-3.021828
"1761"	208.088024	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M-2H"	-2.014552
"441322"	312.635674	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M-2H"	-2.014552
"817110"	103.540374	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-2H"	-2.014552
"79718"	417.183324	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M-H"	-1.007276
"518551"	626.278624	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M-H"	-1.007276
"896595"	208.088024	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-H"	-1.007276
"47321"	434.209871	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M-2H+NH4"	16.019271
"487726"	643.305171	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M-2H+NH4"	16.019271
"864559"	225.114571	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-2H+NH4"	16.019271
"31730"	439.165266	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M-2H+Na"	20.974666
"473004"	648.260566	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M-2H+Na"	20.974666
"854578"	230.069966	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-2H+Na"	20.974666
"1621925"	230.069966	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Na-2H"	20.974666
"101733"	226.076363	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M-H+Cl"	33.962126
"544573"	330.624013	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M-H+Cl"	33.962126
"937000"	121.528713	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-H+Cl"	33.962126
"281515"	453.160002	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+Cl"	34.969402
"669072"	662.255302	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+Cl"	34.969402
"1279287"	244.064702	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Cl"	34.969402
"17834"	455.139206	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M-2H+K"	36.948606
"460309"	664.234506	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M-2H+K"	36.948606
"835932"	246.043906	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-2H+K"	36.948606
"1559421"	246.043906	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+K-2H"	36.948606
"945112"	254.093494	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-H+HCOOH"	44.998194
"362232"	463.188801	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+HCOOH-H"	44.998201
"351585"	477.204451	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+Hac-H"	59.013851
"1496048"	268.109151	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Hac-H"	59.013851
"961400"	276.075451	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-H+NaCOOH"	66.980151
"115772"	244.064702	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+2Cl"	69.938804
"554246"	348.612352	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+2Cl"	69.938804
"1033982"	139.517052	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2Cl"	69.938804
"1252466"	288.014185	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Br"	78.918885
"1310544"	290.070172	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Cl+HCOOH"	80.974872
"1322937"	312.052129	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Cl+NaCOOH"	102.956829
"913629"	322.080886	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M-H+CF3COOH"	112.985586
"1302378"	358.057564	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Cl+CF3COOH"	148.962264
"1379082"	174.082624	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H-2H2O"	-35.012676
"1396943"	192.0926	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H-H2O"	-17.0027
"298087"	419.197876	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+H"	1.007276
"685774"	628.293176	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+H"	1.007276
"1363215"	210.102576	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H"	1.007276
"137926"	210.102576	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+2H"	2.014552
"577851"	314.650226	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+2H"	2.014552
"1047742"	105.554926	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2H"	2.014552
"207618"	140.404142666667	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+3H"	3.021828
"650460"	210.102576	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+3H"	3.021828
"1167490"	70.7057093333333	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+3H"	3.021828
"426387"	436.224423	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+NH4"	18.033823
"789209"	645.319723	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+NH4"	18.033823
"1685902"	227.129123	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+NH4"	18.033823
"343303"	218.6158495	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+H+NH4"	19.041099
"735722"	323.1634995	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+H+NH4"	19.041099
"1491366"	114.0681995	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H+NH4"	19.041099
"407494"	441.179818	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+Na"	22.989218
"767030"	650.275118	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+Na"	22.989218
"1609661"	232.084518	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Na"	22.989218
"322979"	221.093547	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+H+Na"	23.996494
"719776"	325.641197	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+H+Na"	23.996494
"1469221"	116.545897	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H+Na"	23.996494
"1066856"	78.0330233333333	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2H+Na"	25.00377
"1264157"	242.128786	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+CH3OH+H"	33.033486
"388199"	457.153758	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+K"	38.963158
"749196"	666.249058	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+K"	38.963158
"1545780"	248.058458	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+K"	38.963158
"301862"	229.080517	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+H+K"	39.970434
"695373"	333.628167	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+H+K"	39.970434
"1450284"	124.532867	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H+K"	39.970434
"243259"	460.224426	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+ACN+H"	42.033826
"1213050"	251.129126	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+ACN+H"	42.033826
"1197663"	126.068201	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+ACN+2H"	43.041102
"190169"	463.16176	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+2Na-H"	44.97116
"629364"	672.25706	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+2Na-H"	44.97116
"1131611"	254.06646	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2Na-H"	44.97116
"173973"	232.084518	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+2Na"	45.978436
"615357"	336.632168	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+2Na"	45.978436
"1126525"	127.536868	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2Na"	45.978436
"1413215"	85.3603373333333	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H+2Na"	46.985712
"1437790"	256.108046	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H+HCOOH"	47.012746
"233323"	237.11754	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+3H2O+2H"	56.04448
"1519925"	270.16009	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+IsoProp+H"	61.06479
"423142"	240.071488	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+Na+K"	61.952376
"779520"	344.619138	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+Na+K"	61.952376
"1673664"	135.523838	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Na+K"	61.952376
"262373"	482.206368	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+ACN+Na"	64.015768
"1231801"	273.111068	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+ACN+Na"	64.015768
"1719594"	273.134593	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+NH4+HCOOH"	64.039293
"1186041"	92.6876513333333	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+3Na"	68.967654
"1657029"	278.089988	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Na+HCOOH"	68.994688
"161704"	495.10964	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+2K-H"	76.91904
"602358"	704.20494	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+2K-H"	76.91904
"1094528"	286.01434	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2K-H"	76.91904
"152438"	248.058458	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"2M+2K"	77.926316
"587624"	352.606108	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"3M+2K"	77.926316
"1078697"	143.510808	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2K"	77.926316
"1113487"	288.028892	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2K+H"	78.933592
"1347196"	288.116507	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+DMSO+H"	79.021207
"1017913"	292.155676	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2ACN+H"	83.060376
"1538594"	293.149308	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+IsoProp+Na+H"	84.054008
"1005043"	146.581476	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+2ACN+2H"	84.067652
"1602625"	294.063928	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+K+HCOOH"	84.968628
"1428850"	324.095438	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+H+CF3COOH"	115.000138
"1162299"	167.094751	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+3ACN+2H"	125.094202
"1712210"	341.121985	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+NH4+CF3COOH"	132.026685
"1641424"	346.07738	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+Na+CF3COOH"	136.98208
"1579261"	362.05132	"C11181"	"Proflavine"	"C13H11N3"	"209.0953"	"M+K+CF3COOH"	152.95602
"806348"	375.0308	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M"	0
"983162"	356.01241	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-H2O-H"	-19.01839
"69217"	249.013257333333	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M-3H"	-3.021828
"503307"	374.023524	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M-3H"	-3.021828
"880500"	124.002990666667	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-3H"	-3.021828
"1143"	374.023524	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M-2H"	-2.014552
"442529"	561.538924	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M-2H"	-2.014552
"820693"	186.508124	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-2H"	-2.014552
"78984"	749.054324	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M-H"	-1.007276
"519272"	1124.085124	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M-H"	-1.007276
"895850"	374.023524	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-H"	-1.007276
"48164"	766.080871	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M-2H+NH4"	16.019271
"487479"	1141.111671	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M-2H+NH4"	16.019271
"865644"	391.050071	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-2H+NH4"	16.019271
"32093"	771.036266	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M-2H+Na"	20.974666
"475790"	1146.067066	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M-2H+Na"	20.974666
"855783"	396.005466	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-2H+Na"	20.974666
"1624223"	396.005466	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Na-2H"	20.974666
"105124"	392.011863	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M-H+Cl"	33.962126
"546872"	579.527263	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M-H+Cl"	33.962126
"938203"	204.496463	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-H+Cl"	33.962126
"280774"	785.031002	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+Cl"	34.969402
"670275"	1160.061802	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+Cl"	34.969402
"1279398"	410.000202	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Cl"	34.969402
"19766"	787.010206	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M-2H+K"	36.948606
"459325"	1162.041006	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M-2H+K"	36.948606
"833491"	411.979406	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-2H+K"	36.948606
"1559531"	411.979406	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+K-2H"	36.948606
"944493"	420.028994	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-H+HCOOH"	44.998194
"362947"	795.059801	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+HCOOH-H"	44.998201
"347322"	809.075451	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+Hac-H"	59.013851
"1494336"	434.044651	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Hac-H"	59.013851
"960417"	442.010951	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-H+NaCOOH"	66.980151
"113697"	410.000202	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+2Cl"	69.938804
"553263"	597.515602	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+2Cl"	69.938804
"1034092"	222.484802	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2Cl"	69.938804
"1248203"	453.949685	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Br"	78.918885
"1311744"	456.005672	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Cl+HCOOH"	80.974872
"1323774"	477.987629	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Cl+NaCOOH"	102.956829
"917018"	488.016386	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M-H+CF3COOH"	112.985586
"1301031"	523.993064	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Cl+CF3COOH"	148.962264
"1380649"	340.018124	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H-2H2O"	-35.012676
"1397418"	358.0281	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H-H2O"	-17.0027
"297467"	751.068876	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+H"	1.007276
"684789"	1126.099676	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+H"	1.007276
"1361136"	376.038076	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H"	1.007276
"140221"	376.038076	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+2H"	2.014552
"572490"	563.553476	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+2H"	2.014552
"1041652"	188.522676	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2H"	2.014552
"206269"	251.027809333333	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+3H"	3.021828
"644493"	376.038076	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+3H"	3.021828
"1165049"	126.017542666667	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+3H"	3.021828
"424674"	768.095423	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+NH4"	18.033823
"788955"	1143.126223	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+NH4"	18.033823
"1685284"	393.064623	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+NH4"	18.033823
"343413"	384.5513495	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+H+NH4"	19.041099
"735832"	572.0667495	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+H+NH4"	19.041099
"1490748"	197.0359495	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H+NH4"	19.041099
"407604"	773.050818	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+Na"	22.989218
"767140"	1148.081618	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+Na"	22.989218
"1610864"	398.020018	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Na"	22.989218
"323089"	387.029047	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+H+Na"	23.996494
"719886"	574.544447	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+H+Na"	23.996494
"1468237"	199.513647	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H+Na"	23.996494
"1067453"	133.344856666667	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2H+Na"	25.00377
"1267183"	408.064286	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+CH3OH+H"	33.033486
"392079"	789.024758	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+K"	38.963158
"749306"	1164.055558	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+K"	38.963158
"1549171"	413.993958	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+K"	38.963158
"305253"	395.016017	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+H+K"	39.970434
"696580"	582.531417	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+H+K"	39.970434
"1449301"	207.500617	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H+K"	39.970434
"237171"	792.095426	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+ACN+H"	42.033826
"1213160"	417.064626	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+ACN+H"	42.033826
"1195221"	209.035951	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+ACN+2H"	43.041102
"191372"	795.03276	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+2Na-H"	44.97116
"631298"	1170.06356	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+2Na-H"	44.97116
"1134804"	420.00196	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2Na-H"	44.97116
"177001"	398.020018	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+2Na"	45.978436
"619842"	585.535418	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+2Na"	45.978436
"1126635"	210.504618	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2Na"	45.978436
"1413324"	140.672170666667	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H+2Na"	46.985712
"1436807"	422.043546	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H+HCOOH"	47.012746
"230881"	403.05304	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+3H2O+2H"	56.04448
"1518942"	436.09559	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+IsoProp+H"	61.06479
"423007"	406.006988	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+Na+K"	61.952376
"777441"	593.522388	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+Na+K"	61.952376
"1673772"	218.491588	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Na+K"	61.952376
"257374"	814.077368	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+ACN+Na"	64.015768
"1233002"	439.046568	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+ACN+Na"	64.015768
"1719701"	439.070093	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+NH4+HCOOH"	64.039293
"1186151"	147.999484666667	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+3Na"	68.967654
"1657140"	444.025488	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Na+HCOOH"	68.994688
"167283"	826.98064	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+2K-H"	76.91904
"607938"	1202.01144	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+2K-H"	76.91904
"1094638"	451.94984	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2K-H"	76.91904
"152549"	413.993958	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"2M+2K"	77.926316
"593202"	601.509358	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"3M+2K"	77.926316
"1081725"	226.478558	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2K"	77.926316
"1110925"	453.964392	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2K+H"	78.933592
"1348402"	454.052007	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+DMSO+H"	79.021207
"1018754"	458.091176	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2ACN+H"	83.060376
"1535060"	459.084808	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+IsoProp+Na+H"	84.054008
"1004302"	229.549226	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+2ACN+2H"	84.067652
"1602495"	459.999428	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+K+HCOOH"	84.968628
"1429690"	490.030938	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+H+CF3COOH"	115.000138
"1162651"	250.062501	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+3ACN+2H"	125.094202
"1712321"	507.057485	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+NH4+CF3COOH"	132.026685
"1638254"	512.01288	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+Na+CF3COOH"	136.98208
"1585932"	527.98682	"C11182"	"Prochloraz"	"C15H16Cl3N3O2"	"375.0308"	"M+K+CF3COOH"	152.95602
"806458"	289.0576	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M"	0
"983272"	270.03921	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-H2O-H"	-19.01839
"69327"	191.697790666667	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M-3H"	-3.021828
"504510"	288.050324	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M-3H"	-3.021828
"880972"	95.3452573333333	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-3H"	-3.021828
"1374"	288.050324	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M-2H"	-2.014552
"442263"	432.579124	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M-2H"	-2.014552
"818127"	143.521524	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-2H"	-2.014552
"79450"	577.107924	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M-H"	-1.007276
"519253"	866.165524	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M-H"	-1.007276
"895882"	288.050324	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-H"	-1.007276
"48643"	594.134471	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M-2H+NH4"	16.019271
"487426"	883.192071	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M-2H+NH4"	16.019271
"865026"	305.076871	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-2H+NH4"	16.019271
"33300"	599.089866	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M-2H+Na"	20.974666
"473105"	888.147466	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M-2H+Na"	20.974666
"854799"	310.032266	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-2H+Na"	20.974666
"1623239"	310.032266	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Na-2H"	20.974666
"104870"	306.038663	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M-H+Cl"	33.962126
"546982"	450.567463	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M-H+Cl"	33.962126
"939406"	161.509863	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-H+Cl"	33.962126
"276872"	613.084602	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+Cl"	34.969402
"670385"	902.142202	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+Cl"	34.969402
"1280601"	324.027002	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Cl"	34.969402
"19146"	615.063806	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M-2H+K"	36.948606
"459799"	904.121406	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M-2H+K"	36.948606
"833479"	326.006206	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-2H+K"	36.948606
"1559641"	326.006206	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+K-2H"	36.948606
"946429"	334.055794	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-H+HCOOH"	44.998194
"365735"	623.113401	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+HCOOH-H"	44.998201
"348526"	637.129051	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+Hac-H"	59.013851
"1495531"	348.071451	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Hac-H"	59.013851
"960161"	356.037751	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-H+NaCOOH"	66.980151
"112348"	324.027002	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+2Cl"	69.938804
"552280"	468.555802	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+2Cl"	69.938804
"1029831"	179.498202	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2Cl"	69.938804
"1248314"	367.976485	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Br"	78.918885
"1309667"	370.032472	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Cl+HCOOH"	80.974872
"1323884"	392.014429	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Cl+NaCOOH"	102.956829
"914941"	402.043186	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M-H+CF3COOH"	112.985586
"1302964"	438.019864	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Cl+CF3COOH"	148.962264
"1380395"	254.044924	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H-2H2O"	-35.012676
"1397528"	272.0549	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H-H2O"	-17.0027
"296121"	579.122476	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+H"	1.007276
"683804"	868.180076	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+H"	1.007276
"1362339"	290.064876	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H"	1.007276
"131947"	290.064876	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+2H"	2.014552
"575880"	434.593676	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+2H"	2.014552
"1040668"	145.536076	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2H"	2.014552
"206014"	193.712342666667	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+3H"	3.021828
"645326"	290.064876	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+3H"	3.021828
"1163206"	97.3598093333333	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+3H"	3.021828
"426972"	596.149023	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+NH4"	18.033823
"790158"	885.206623	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+NH4"	18.033823
"1685394"	307.091423	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+NH4"	18.033823
"340245"	298.5781495	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+H+NH4"	19.041099
"732664"	443.1069495	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+H+NH4"	19.041099
"1488673"	154.0493495	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H+NH4"	19.041099
"402977"	601.104418	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+Na"	22.989218
"766157"	890.162018	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+Na"	22.989218
"1610974"	312.046818	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Na"	22.989218
"322106"	301.055847	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+H+Na"	23.996494
"716716"	445.584647	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+H+Na"	23.996494
"1467254"	156.527047	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H+Na"	23.996494
"1067318"	104.687123333333	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2H+Na"	25.00377
"1264377"	322.091086	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+CH3OH+H"	33.033486
"390242"	617.078358	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+K"	38.963158
"745042"	906.135958	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+K"	38.963158
"1547093"	328.020758	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+K"	38.963158
"306456"	309.042817	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+H+K"	39.970434
"697783"	453.571617	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+H+K"	39.970434
"1451599"	164.514017	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H+K"	39.970434
"239106"	620.149026	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+ACN+H"	42.033826
"1212907"	331.091426	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+ACN+H"	42.033826
"1194598"	166.049351	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+ACN+2H"	43.041102
"189211"	623.08636	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+2Na-H"	44.97116
"629949"	912.14396	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+2Na-H"	44.97116
"1133699"	334.02876	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2Na-H"	44.97116
"176017"	312.046818	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+2Na"	45.978436
"618859"	456.575618	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+2Na"	45.978436
"1126744"	167.518018	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2Na"	45.978436
"1413558"	112.014437333333	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H+2Na"	46.985712
"1439103"	336.070346	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H+HCOOH"	47.012746
"233907"	317.07984	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+3H2O+2H"	56.04448
"1519053"	350.12239	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+IsoProp+H"	61.06479
"423117"	320.033788	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+Na+K"	61.952376
"777552"	464.562588	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+Na+K"	61.952376
"1672789"	175.504988	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Na+K"	61.952376
"256029"	642.130968	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+ACN+Na"	64.015768
"1233112"	353.073368	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+ACN+Na"	64.015768
"1720904"	353.096893	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+NH4+HCOOH"	64.039293
"1187354"	119.341751333333	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+3Na"	68.967654
"1659438"	358.052288	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Na+HCOOH"	68.994688
"168487"	655.03424	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+2K-H"	76.91904
"608777"	944.09184	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+2K-H"	76.91904
"1093655"	365.97664	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2K-H"	76.91904
"153754"	328.020758	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"2M+2K"	77.926316
"593314"	472.549558	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"3M+2K"	77.926316
"1081106"	183.491958	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2K"	77.926316
"1109941"	367.991192	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2K+H"	78.933592
"1345232"	368.078807	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+DMSO+H"	79.021207
"1017042"	372.117976	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2ACN+H"	83.060376
"1536262"	373.111608	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+IsoProp+Na+H"	84.054008
"1003683"	186.562626	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+2ACN+2H"	84.067652
"1601466"	374.026228	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+K+HCOOH"	84.968628
"1429434"	404.057738	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+H+CF3COOH"	115.000138
"1162153"	207.075901	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+3ACN+2H"	125.094202
"1712431"	421.084285	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+NH4+CF3COOH"	132.026685
"1638364"	426.03968	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+Na+CF3COOH"	136.98208
"1586042"	442.01362	"C11184"	"PMEG;9-((2-Phosphonylmethoxy)ethyl)guanine"	"C8H12N5O5P"	"289.0576"	"M+K+CF3COOH"	152.95602
"807661"	314.0622	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M"	0
"977914"	295.04381	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-H2O-H"	-19.01839
"69437"	208.367524	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M-3H"	-3.021828
"504984"	313.054924	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M-3H"	-3.021828
"882784"	103.680124	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-3H"	-3.021828
"1363"	313.054924	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M-2H"	-2.014552
"441647"	470.086024	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M-2H"	-2.014552
"817631"	156.023824	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-2H"	-2.014552
"78909"	627.117124	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M-H"	-1.007276
"518833"	941.179324	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M-H"	-1.007276
"895917"	313.054924	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-H"	-1.007276
"47903"	644.143671	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M-2H+NH4"	16.019271
"487176"	958.205871	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M-2H+NH4"	16.019271
"864651"	330.081471	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-2H+NH4"	16.019271
"35354"	649.099066	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M-2H+Na"	20.974666
"474916"	963.161266	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M-2H+Na"	20.974666
"856001"	335.036866	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-2H+Na"	20.974666
"1626629"	335.036866	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Na-2H"	20.974666
"107532"	331.043263	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M-H+Cl"	33.962126
"545633"	488.074363	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M-H+Cl"	33.962126
"938423"	174.012163	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-H+Cl"	33.962126
"280263"	663.093802	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+Cl"	34.969402
"667214"	977.156002	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+Cl"	34.969402
"1282898"	349.031602	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Cl"	34.969402
"17800"	665.073006	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M-2H+K"	36.948606
"458089"	979.135206	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M-2H+K"	36.948606
"836262"	351.010806	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-2H+K"	36.948606
"1560844"	351.010806	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+K-2H"	36.948606
"947632"	359.060394	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-H+HCOOH"	44.998194
"364752"	673.122601	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+HCOOH-H"	44.998201
"347907"	687.138251	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+Hac-H"	59.013851
"1494549"	373.076051	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Hac-H"	59.013851
"959055"	381.042351	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-H+NaCOOH"	66.980151
"112822"	349.031602	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+2Cl"	69.938804
"552511"	506.062702	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+2Cl"	69.938804
"1032127"	192.000502	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2Cl"	69.938804
"1248424"	392.981085	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Br"	78.918885
"1309048"	395.037072	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Cl+HCOOH"	80.974872
"1323264"	417.019029	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Cl+NaCOOH"	102.956829
"916144"	427.047786	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M-H+CF3COOH"	112.985586
"1302710"	463.024464	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Cl+CF3COOH"	148.962264
"1380871"	279.049524	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H-2H2O"	-35.012676
"1396789"	297.0595	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H-H2O"	-17.0027
"296232"	629.131676	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+H"	1.007276
"681728"	943.193876	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+H"	1.007276
"1362449"	315.069476	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H"	1.007276
"133150"	315.069476	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+2H"	2.014552
"577083"	472.100576	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+2H"	2.014552
"1039683"	158.038376	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2H"	2.014552
"206850"	210.382076	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+3H"	3.021828
"645316"	315.069476	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+3H"	3.021828
"1162824"	105.694676	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+3H"	3.021828
"426718"	646.158223	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+NH4"	18.033823
"787714"	960.220423	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+NH4"	18.033823
"1683682"	332.096023	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+NH4"	18.033823
"345419"	323.5827495	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+H+NH4"	19.041099
"732774"	480.6138495	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+H+NH4"	19.041099
"1490606"	166.5516495	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H+NH4"	19.041099
"406366"	651.113618	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+Na"	22.989218
"767360"	965.175818	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+Na"	22.989218
"1611084"	337.051418	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Na"	22.989218
"322216"	326.060447	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+H+Na"	23.996494
"716826"	483.091547	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+H+Na"	23.996494
"1467364"	169.029347	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H+Na"	23.996494
"1068035"	113.02199	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2H+Na"	25.00377
"1269590"	347.095686	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+CH3OH+H"	33.033486
"392423"	667.087558	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+K"	38.963158
"752441"	981.149758	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+K"	38.963158
"1553400"	353.025358	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+K"	38.963158
"310938"	334.047417	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+H+K"	39.970434
"698986"	491.078517	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+H+K"	39.970434
"1453898"	177.016317	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H+K"	39.970434
"242499"	670.158226	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+ACN+H"	42.033826
"1214111"	356.096026	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+ACN+H"	42.033826
"1194833"	178.551651	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+ACN+2H"	43.041102
"189768"	673.09556	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+2Na-H"	44.97116
"630059"	987.15776	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+2Na-H"	44.97116
"1133566"	359.03336	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2Na-H"	44.97116
"174545"	337.051418	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+2Na"	45.978436
"620063"	494.082518	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+2Na"	45.978436
"1124668"	180.020318	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2Na"	45.978436
"1414032"	120.349304	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H+2Na"	46.985712
"1438120"	361.074946	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H+HCOOH"	47.012746
"234381"	342.08444	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+3H2O+2H"	56.04448
"1519163"	375.12699	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+IsoProp+H"	61.06479
"423714"	345.038388	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+Na+K"	61.952376
"779848"	502.069488	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+Na+K"	61.952376
"1675085"	188.007288	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Na+K"	61.952376
"261606"	692.140168	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+ACN+Na"	64.015768
"1235408"	378.077968	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+ACN+Na"	64.015768
"1722108"	378.101493	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+NH4+HCOOH"	64.039293
"1190017"	127.676618	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+3Na"	68.967654
"1657361"	383.056888	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Na+HCOOH"	68.994688
"170784"	705.04344	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+2K-H"	76.91904
"608158"	1019.10564	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+2K-H"	76.91904
"1095951"	390.98124	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2K-H"	76.91904
"153864"	353.025358	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"2M+2K"	77.926316
"596340"	510.056458	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"3M+2K"	77.926316
"1081216"	195.994258	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2K"	77.926316
"1110051"	392.995792	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2K+H"	78.933592
"1347529"	393.083407	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+DMSO+H"	79.021207
"1019097"	397.122576	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2ACN+H"	83.060376
"1538317"	398.116208	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+IsoProp+Na+H"	84.054008
"1005495"	199.064926	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+2ACN+2H"	84.067652
"1602387"	399.030828	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+K+HCOOH"	84.968628
"1429804"	429.062338	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+H+CF3COOH"	115.000138
"1162264"	219.578201	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+3ACN+2H"	125.094202
"1712461"	446.088885	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+NH4+CF3COOH"	132.026685
"1641754"	451.04428	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+Na+CF3COOH"	136.98208
"1586152"	467.01822	"C11185"	"Nuarimol"	"C17H12ClFN2O"	"314.0622"	"M+K+CF3COOH"	152.95602
"806678"	736.4398	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M"	0
"976931"	717.42141	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-H2O-H"	-19.01839
"69547"	489.952590666667	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M-3H"	-3.021828
"504730"	735.432524	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M-3H"	-3.021828
"881437"	244.472657333333	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-3H"	-3.021828
"19"	735.432524	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M-2H"	-2.014552
"440660"	1103.652424	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M-2H"	-2.014552
"817082"	367.212624	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-2H"	-2.014552
"78685"	1471.872324	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M-H"	-1.007276
"518612"	2208.312124	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M-H"	-1.007276
"898014"	735.432524	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-H"	-1.007276
"48014"	1488.898871	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M-2H+NH4"	16.019271
"487177"	2225.338671	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M-2H+NH4"	16.019271
"864430"	752.459071	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-2H+NH4"	16.019271
"32184"	1493.854266	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M-2H+Na"	20.974666
"471947"	2230.294066	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M-2H+Na"	20.974666
"858298"	757.414466	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-2H+Na"	20.974666
"1627833"	757.414466	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Na-2H"	20.974666
"105454"	753.420863	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M-H+Cl"	33.962126
"543920"	1121.640763	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M-H+Cl"	33.962126
"930878"	385.200963	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-H+Cl"	33.962126
"280009"	1507.849002	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+Cl"	34.969402
"672792"	2244.288802	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+Cl"	34.969402
"1283008"	771.409202	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Cl"	34.969402
"17183"	1509.828206	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M-2H+K"	36.948606
"457835"	2246.268006	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M-2H+K"	36.948606
"839654"	773.388406	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-2H+K"	36.948606
"1560954"	773.388406	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+K-2H"	36.948606
"946648"	781.437994	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-H+HCOOH"	44.998194
"361946"	1517.877801	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+HCOOH-H"	44.998201
"348747"	1531.893451	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+Hac-H"	59.013851
"1493567"	795.453651	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Hac-H"	59.013851
"959651"	803.419951	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-H+NaCOOH"	66.980151
"112933"	771.409202	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+2Cl"	69.938804
"552500"	1139.629102	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+2Cl"	69.938804
"1032238"	403.189302	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2Cl"	69.938804
"1248534"	815.358685	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Br"	78.918885
"1306607"	817.414672	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Cl+HCOOH"	80.974872
"1323374"	839.396629	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Cl+NaCOOH"	102.956829
"914067"	849.425386	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M-H+CF3COOH"	112.985586
"1303184"	885.402064	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Cl+CF3COOH"	148.962264
"1381347"	701.427124	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H-2H2O"	-35.012676
"1396653"	719.4371	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H-H2O"	-17.0027
"295977"	1473.886876	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+H"	1.007276
"684024"	2210.326676	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+H"	1.007276
"1362559"	737.447076	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H"	1.007276
"133261"	737.447076	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+2H"	2.014552
"578287"	1105.666976	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+2H"	2.014552
"1043805"	369.227176	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2H"	2.014552
"205264"	491.967142666667	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+3H"	3.021828
"645425"	737.447076	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+3H"	3.021828
"1162825"	246.487209333333	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+3H"	3.021828
"424356"	1490.913423	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+NH4"	18.033823
"787095"	2227.353223	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+NH4"	18.033823
"1684521"	754.473623	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+NH4"	18.033823
"341924"	745.9603495	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+H+NH4"	19.041099
"735438"	1114.1802495	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+H+NH4"	19.041099
"1489623"	377.7404495	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H+NH4"	19.041099
"405751"	1495.868818	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+Na"	22.989218
"767106"	2232.308618	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+Na"	22.989218
"1611194"	759.429018	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Na"	22.989218
"323419"	748.438047	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+H+Na"	23.996494
"716936"	1116.657947	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+H+Na"	23.996494
"1467474"	380.218147	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H+Na"	23.996494
"1068110"	253.814523333333	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2H+Na"	25.00377
"1270064"	769.473286	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+CH3OH+H"	33.033486
"391192"	1511.842758	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+K"	38.963158
"751823"	2248.282558	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+K"	38.963158
"1553510"	775.402958	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+K"	38.963158
"309955"	756.425017	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+H+K"	39.970434
"699096"	1124.644917	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+H+K"	39.970434
"1454008"	388.205117	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H+K"	39.970434
"241516"	1514.913426	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+ACN+H"	42.033826
"1213127"	778.473626	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+ACN+H"	42.033826
"1194816"	389.740451	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+ACN+2H"	43.041102
"189150"	1517.85076	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+2Na-H"	44.97116
"638189"	2254.29056	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+2Na-H"	44.97116
"1133675"	781.41096	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2Na-H"	44.97116
"174049"	759.429018	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+2Na"	45.978436
"621266"	1127.648918	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+2Na"	45.978436
"1124778"	391.209118	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2Na"	45.978436
"1407209"	261.141837333333	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H+2Na"	46.985712
"1438230"	783.452546	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H+HCOOH"	47.012746
"229023"	764.46204	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+3H2O+2H"	56.04448
"1518179"	797.50459	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+IsoProp+H"	61.06479
"423906"	767.415988	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+Na+K"	61.952376
"783239"	1135.635888	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+Na+K"	61.952376
"1675196"	399.196088	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Na+K"	61.952376
"261716"	1536.895368	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+ACN+Na"	64.015768
"1234425"	800.455568	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+ACN+Na"	64.015768
"1721854"	800.479093	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+NH4+HCOOH"	64.039293
"1190491"	268.469151333333	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+3Na"	68.967654
"1661846"	805.434488	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Na+HCOOH"	68.994688
"169800"	1549.79864	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+2K-H"	76.91904
"609361"	2286.23844	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+2K-H"	76.91904
"1090592"	813.35884	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2K-H"	76.91904
"156770"	775.402958	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"2M+2K"	77.926316
"596988"	1143.622858	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"3M+2K"	77.926316
"1082299"	407.183058	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2K"	77.926316
"1110160"	815.373392	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2K+H"	78.933592
"1347639"	815.461007	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+DMSO+H"	79.021207
"1018356"	819.500176	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2ACN+H"	83.060376
"1538914"	820.493808	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+IsoProp+Na+H"	84.054008
"1004754"	410.253726	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+2ACN+2H"	84.067652
"1600714"	821.408428	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+K+HCOOH"	84.968628
"1429574"	851.439938	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+H+CF3COOH"	115.000138
"1161764"	430.767001	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+3ACN+2H"	125.094202
"1709492"	868.466485	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+NH4+CF3COOH"	132.026685
"1641864"	873.42188	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+Na+CF3COOH"	136.98208
"1586262"	889.39582	"C11186"	"Nonactin"	"C40H64O12"	"736.4398"	"M+K+CF3COOH"	152.95602
"810068"	274.064	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M"	0
"980321"	255.04561	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-H2O-H"	-19.01839
"69654"	181.702057333333	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M-3H"	-3.021828
"508120"	273.056724	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M-3H"	-3.021828
"884828"	90.3473906666667	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-3H"	-3.021828
"3405"	273.056724	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M-2H"	-2.014552
"440530"	410.088724	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M-2H"	-2.014552
"817480"	136.024724	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-2H"	-2.014552
"79051"	547.120724	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M-H"	-1.007276
"519092"	821.184724	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M-H"	-1.007276
"902497"	273.056724	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-H"	-1.007276
"49217"	564.147271	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M-2H+NH4"	16.019271
"487670"	838.211271	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M-2H+NH4"	16.019271
"865105"	290.083271	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-2H+NH4"	16.019271
"35574"	569.102666	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M-2H+Na"	20.974666
"474040"	843.166666	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M-2H+Na"	20.974666
"859501"	295.038666	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-2H+Na"	20.974666
"1631223"	295.038666	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Na-2H"	20.974666
"107386"	291.045063	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M-H+Cl"	33.962126
"546946"	428.077063	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M-H+Cl"	33.962126
"935361"	154.013063	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-H+Cl"	33.962126
"276109"	583.097402	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+Cl"	34.969402
"668529"	857.161402	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+Cl"	34.969402
"1282025"	309.033402	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Cl"	34.969402
"18021"	585.076606	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M-2H+K"	36.948606
"459768"	859.140606	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M-2H+K"	36.948606
"841951"	311.012606	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-2H+K"	36.948606
"1561064"	311.012606	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+K-2H"	36.948606
"946759"	319.062194	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-H+HCOOH"	44.998194
"364973"	593.126201	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+HCOOH-H"	44.998201
"348858"	607.141851	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+Hac-H"	59.013851
"1495500"	333.077851	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Hac-H"	59.013851
"959399"	341.044151	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-H+NaCOOH"	66.980151
"112314"	309.033402	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+2Cl"	69.938804
"552610"	446.065402	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+2Cl"	69.938804
"1032348"	172.001402	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2Cl"	69.938804
"1248644"	352.982885	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Br"	78.918885
"1308904"	355.038872	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Cl+HCOOH"	80.974872
"1324212"	377.020829	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Cl+NaCOOH"	102.956829
"914177"	387.049586	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M-H+CF3COOH"	112.985586
"1302929"	423.026264	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Cl+CF3COOH"	148.962264
"1379270"	239.051324	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H-2H2O"	-35.012676
"1396763"	257.0613	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H-H2O"	-17.0027
"296817"	549.135276	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+H"	1.007276
"684134"	823.199276	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+H"	1.007276
"1362669"	275.071276	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H"	1.007276
"133371"	275.071276	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+2H"	2.014552
"579490"	412.103276	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+2H"	2.014552
"1042822"	138.039276	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2H"	2.014552
"205253"	183.716609333333	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+3H"	3.021828
"645899"	275.071276	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+3H"	3.021828
"1164025"	92.3619426666667	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+3H"	3.021828
"425847"	566.161823	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+NH4"	18.033823
"789029"	840.225823	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+NH4"	18.033823
"1683902"	292.097823	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+NH4"	18.033823
"340569"	283.5845495	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+H+NH4"	19.041099
"736278"	420.6165495	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+H+NH4"	19.041099
"1491186"	146.5525495	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H+NH4"	19.041099
"407315"	571.117218	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+Na"	22.989218
"765029"	845.181218	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+Na"	22.989218
"1611304"	297.053218	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Na"	22.989218
"321342"	286.062247	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+H+Na"	23.996494
"718138"	423.094247	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+H+Na"	23.996494
"1467584"	149.030247	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H+Na"	23.996494
"1068134"	99.6892566666667	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2H+Na"	25.00377
"1270175"	307.097486	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+CH3OH+H"	33.033486
"392033"	587.091158	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+K"	38.963158
"753027"	861.155158	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+K"	38.963158
"1553621"	313.027158	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+K"	38.963158
"310795"	294.049217	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+H+K"	39.970434
"699206"	431.081217	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+H+K"	39.970434
"1455212"	157.017217	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H+K"	39.970434
"242719"	590.161826	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+ACN+H"	42.033826
"1216518"	316.097826	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+ACN+H"	42.033826
"1196391"	158.552551	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+ACN+2H"	43.041102
"195459"	593.09916	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+2Na-H"	44.97116
"637206"	867.16316	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+2Na-H"	44.97116
"1137432"	319.03516	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2Na-H"	44.97116
"179629"	297.053218	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+2Na"	45.978436
"622469"	434.085218	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+2Na"	45.978436
"1122696"	160.021218	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2Na"	45.978436
"1410599"	107.016570666667	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H+2Na"	46.985712
"1438340"	321.076746	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H+HCOOH"	47.012746
"229133"	302.08624	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+3H2O+2H"	56.04448
"1516103"	335.12879	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+IsoProp+H"	61.06479
"421262"	305.040188	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+Na+K"	61.952376
"782620"	442.072188	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+Na+K"	61.952376
"1674942"	168.008188	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Na+K"	61.952376
"262556"	612.143768	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+ACN+Na"	64.015768
"1235264"	338.079768	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+ACN+Na"	64.015768
"1723788"	338.103293	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+NH4+HCOOH"	64.039293
"1191695"	114.343884666667	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+3Na"	68.967654
"1654658"	343.058688	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Na+HCOOH"	68.994688
"168817"	625.04704	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+2K-H"	76.91904
"608377"	899.11104	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+2K-H"	76.91904
"1089609"	350.98304	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2K-H"	76.91904
"157062"	313.027158	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"2M+2K"	77.926316
"597053"	450.059158	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"3M+2K"	77.926316
"1083261"	175.995158	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2K"	77.926316
"1110270"	352.997592	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2K+H"	78.933592
"1347749"	353.085207	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+DMSO+H"	79.021207
"1017371"	357.124376	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2ACN+H"	83.060376
"1537563"	358.118008	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+IsoProp+Na+H"	84.054008
"999757"	179.065826	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+2ACN+2H"	84.067652
"1599364"	359.032628	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+K+HCOOH"	84.968628
"1425389"	389.064138	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+H+CF3COOH"	115.000138
"1157863"	199.579101	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+3ACN+2H"	125.094202
"1709602"	406.090685	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+NH4+CF3COOH"	132.026685
"1641974"	411.04608	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+Na+CF3COOH"	136.98208
"1586372"	427.02002	"C11188"	"Neburon;Kloben"	"C12H16Cl2N2O"	"274.064"	"M+K+CF3COOH"	152.95602
"806898"	452.2325	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M"	0
"980431"	433.21411	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-H2O-H"	-19.01839
"68671"	300.481057333333	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M-3H"	-3.021828
"507137"	451.225224	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M-3H"	-3.021828
"881291"	149.736890666667	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-3H"	-3.021828
"1204"	451.225224	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M-2H"	-2.014552
"440759"	677.341474	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M-2H"	-2.014552
"817955"	225.108974	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-2H"	-2.014552
"78835"	903.457724	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M-H"	-1.007276
"518957"	1355.690224	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M-H"	-1.007276
"896192"	451.225224	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-H"	-1.007276
"47649"	920.484271	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M-2H+NH4"	16.019271
"487542"	1372.716771	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M-2H+NH4"	16.019271
"864378"	468.251771	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-2H+NH4"	16.019271
"33497"	925.439666	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M-2H+Na"	20.974666
"474150"	1377.672166	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M-2H+Na"	20.974666
"858518"	473.207166	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-2H+Na"	20.974666
"1632914"	473.207166	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Na-2H"	20.974666
"108589"	469.213563	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M-H+Cl"	33.962126
"546327"	695.329813	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M-H+Cl"	33.962126
"936564"	243.097313	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-H+Cl"	33.962126
"276219"	939.434402	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+Cl"	34.969402
"667546"	1391.666902	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+Cl"	34.969402
"1281042"	487.201902	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Cl"	34.969402
"18858"	941.413606	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M-2H+K"	36.948606
"459877"	1393.646106	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M-2H+K"	36.948606
"837681"	489.181106	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-2H+K"	36.948606
"1557157"	489.181106	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+K-2H"	36.948606
"943953"	497.230694	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-H+HCOOH"	44.998194
"366176"	949.463201	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+HCOOH-H"	44.998201
"346782"	963.478851	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+Hac-H"	59.013851
"1495610"	511.246351	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Hac-H"	59.013851
"959023"	519.212651	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-H+NaCOOH"	66.980151
"112425"	487.201902	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+2Cl"	69.938804
"552720"	713.318152	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+2Cl"	69.938804
"1032458"	261.085652	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2Cl"	69.938804
"1248754"	531.151385	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Br"	78.918885
"1309014"	533.207372	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Cl+HCOOH"	80.974872
"1321770"	555.189329	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Cl+NaCOOH"	102.956829
"914650"	565.218086	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M-H+CF3COOH"	112.985586
"1300851"	601.194764	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Cl+CF3COOH"	148.962264
"1382132"	417.219824	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H-2H2O"	-35.012676
"1394319"	435.2298	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H-H2O"	-17.0027
"295100"	905.472276	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+H"	1.007276
"685338"	1357.704776	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+H"	1.007276
"1364967"	453.239776	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H"	1.007276
"136033"	453.239776	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+2H"	2.014552
"575957"	679.356026	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+2H"	2.014552
"1041839"	227.123526	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2H"	2.014552
"205119"	302.495609333333	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+3H"	3.021828
"645156"	453.239776	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+3H"	3.021828
"1163767"	151.751442666667	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+3H"	3.021828
"424978"	922.498823	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+NH4"	18.033823
"788775"	1374.731323	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+NH4"	18.033823
"1684011"	470.266323	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+NH4"	18.033823
"340679"	461.7530495	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+H+NH4"	19.041099
"737721"	687.8692995	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+H+NH4"	19.041099
"1489108"	235.6367995	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H+NH4"	19.041099
"403414"	927.454218	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+Na"	22.989218
"762223"	1379.686718	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+Na"	22.989218
"1608134"	475.221718	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Na"	22.989218
"318172"	464.230747	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+H+Na"	23.996494
"717155"	690.346997	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+H+Na"	23.996494
"1465508"	238.114497	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H+Na"	23.996494
"1068003"	159.078756666667	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2H+Na"	25.00377
"1272399"	485.265986	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+CH3OH+H"	33.033486
"392393"	943.428158	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+K"	38.963158
"753020"	1395.660658	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+K"	38.963158
"1555074"	491.195658	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+K"	38.963158
"312364"	472.217717	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+H+K"	39.970434
"700045"	698.333967	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+H+K"	39.970434
"1455687"	246.101467	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H+K"	39.970434
"242829"	946.498826	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+ACN+H"	42.033826
"1215535"	494.266326	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+ACN+H"	42.033826
"1197230"	247.636801	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+ACN+2H"	43.041102
"194475"	949.43616	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+2Na-H"	44.97116
"640596"	1401.66866	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+2Na-H"	44.97116
"1137542"	497.20366	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2Na-H"	44.97116
"183019"	475.221718	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+2Na"	45.978436
"623672"	701.337968	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+2Na"	45.978436
"1126087"	249.105468	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2Na"	45.978436
"1409610"	166.406070666667	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H+2Na"	46.985712
"1438450"	499.245246	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H+HCOOH"	47.012746
"230336"	480.25474	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+3H2O+2H"	56.04448
"1518399"	513.29729	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+IsoProp+H"	61.06479
"422101"	483.208688	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+Na+K"	61.952376
"783461"	709.324938	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+Na+K"	61.952376
"1674688"	257.092438	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Na+K"	61.952376
"262668"	968.480768	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+ACN+Na"	64.015768
"1235740"	516.248268	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+ACN+Na"	64.015768
"1723534"	516.271793	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+NH4+HCOOH"	64.039293
"1191805"	173.733384666667	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+3Na"	68.967654
"1654404"	521.227188	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Na+HCOOH"	68.994688
"169656"	981.38404	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+2K-H"	76.91904
"609581"	1433.61654	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+2K-H"	76.91904
"1086438"	529.15154	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2K-H"	76.91904
"156595"	491.195658	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"2M+2K"	77.926316
"597006"	717.311908	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"3M+2K"	77.926316
"1083371"	265.079408	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2K"	77.926316
"1110380"	531.166092	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2K+H"	78.933592
"1341297"	531.253707	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+DMSO+H"	79.021207
"1018332"	535.292876	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2ACN+H"	83.060376
"1536701"	536.286508	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+IsoProp+Na+H"	84.054008
"1003026"	268.150076	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+2ACN+2H"	84.067652
"1598745"	537.201128	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+K+HCOOH"	84.968628
"1422217"	567.232638	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+H+CF3COOH"	115.000138
"1159066"	288.663351	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+3ACN+2H"	125.094202
"1711899"	584.259185	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+NH4+CF3COOH"	132.026685
"1642084"	589.21458	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+Na+CF3COOH"	136.98208
"1586482"	605.18852	"C11189"	"Hoechst 33342;Hoe 33342"	"C27H28N6O"	"452.2325"	"M+K+CF3COOH"	152.95602
"807008"	380.0928	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M"	0
"980541"	361.07441	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-H2O-H"	-19.01839
"65866"	252.387924	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M-3H"	-3.021828
"505791"	379.085524	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M-3H"	-3.021828
"883956"	125.690324	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-3H"	-3.021828
"3627"	379.085524	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M-2H"	-2.014552
"441728"	569.131924	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M-2H"	-2.014552
"818072"	189.039124	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-2H"	-2.014552
"80979"	759.178324	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M-H"	-1.007276
"519568"	1139.271124	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M-H"	-1.007276
"896392"	379.085524	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-H"	-1.007276
"48215"	776.204871	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M-2H+NH4"	16.019271
"488264"	1156.297671	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M-2H+NH4"	16.019271
"866068"	396.112071	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-2H+NH4"	16.019271
"32878"	781.160266	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M-2H+Na"	20.974666
"480823"	1161.253066	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M-2H+Na"	20.974666
"859721"	401.067466	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-2H+Na"	20.974666
"1630350"	401.067466	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Na-2H"	20.974666
"109064"	397.073863	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M-H+Cl"	33.962126
"548503"	587.120263	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M-H+Cl"	33.962126
"941787"	207.027463	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-H+Cl"	33.962126
"275236"	795.155002	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+Cl"	34.969402
"670936"	1175.247802	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+Cl"	34.969402
"1281152"	415.062202	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Cl"	34.969402
"18246"	797.134206	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M-2H+K"	36.948606
"458899"	1177.227006	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M-2H+K"	36.948606
"835605"	417.041406	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-2H+K"	36.948606
"1558000"	417.041406	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+K-2H"	36.948606
"946975"	425.090994	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-H+HCOOH"	44.998194
"362280"	805.183801	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+HCOOH-H"	44.998201
"349077"	819.199451	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+Hac-H"	59.013851
"1493660"	439.106651	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Hac-H"	59.013851
"960352"	447.072951	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-H+NaCOOH"	66.980151
"115456"	415.062202	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+2Cl"	69.938804
"559393"	605.108602	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+2Cl"	69.938804
"1029286"	225.015802	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2Cl"	69.938804
"1246677"	459.011685	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Br"	78.918885
"1306572"	461.067672	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Cl+HCOOH"	80.974872
"1320300"	483.049629	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Cl+NaCOOH"	102.956829
"912936"	493.078386	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M-H+CF3COOH"	112.985586
"1302420"	529.055064	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Cl+CF3COOH"	148.962264
"1381917"	345.080124	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H-2H2O"	-35.012676
"1396622"	363.0901	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H-H2O"	-17.0027
"296308"	761.192876	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+H"	1.007276
"687637"	1141.285676	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+H"	1.007276
"1365080"	381.100076	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H"	1.007276
"138697"	381.100076	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+2H"	2.014552
"578622"	571.146476	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+2H"	2.014552
"1048512"	191.053676	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2H"	2.014552
"219884"	254.402476	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+3H"	3.021828
"652692"	381.100076	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+3H"	3.021828
"1167536"	127.704876	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+3H"	3.021828
"426430"	778.219423	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+NH4"	18.033823
"788885"	1158.312223	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+NH4"	18.033823
"1693604"	398.126623	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+NH4"	18.033823
"344442"	389.6133495	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+H+NH4"	19.041099
"737594"	579.6597495	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+H+NH4"	19.041099
"1492024"	199.5669495	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H+NH4"	19.041099
"408030"	783.174818	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+Na"	22.989218
"763426"	1163.267618	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+Na"	22.989218
"1617723"	403.082018	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Na"	22.989218
"323749"	392.091047	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+H+Na"	23.996494
"720913"	582.137447	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+H+Na"	23.996494
"1474369"	202.044647	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H+Na"	23.996494
"1067909"	135.03219	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2H+Na"	25.00377
"1267115"	413.126286	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+CH3OH+H"	33.033486
"388971"	799.148758	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+K"	38.963158
"752517"	1179.241558	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+K"	38.963158
"1555346"	419.055958	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+K"	38.963158
"313812"	400.078017	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+H+K"	39.970434
"698331"	590.124417	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+H+K"	39.970434
"1452151"	210.031617	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H+K"	39.970434
"237470"	802.219426	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+ACN+H"	42.033826
"1212730"	422.126626	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+ACN+H"	42.033826
"1196003"	211.566951	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+ACN+2H"	43.041102
"192761"	805.15676	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+2Na-H"	44.97116
"631593"	1185.24956	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+2Na-H"	44.97116
"1134008"	425.06396	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2Na-H"	44.97116
"174378"	403.082018	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+2Na"	45.978436
"616129"	593.128418	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+2Na"	45.978436
"1118542"	213.035618	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2Na"	45.978436
"1403525"	142.359504	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H+2Na"	46.985712
"1437831"	427.105546	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H+HCOOH"	47.012746
"227165"	408.11504	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+3H2O+2H"	56.04448
"1517416"	441.15759	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+IsoProp+H"	61.06479
"421119"	411.068988	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+Na+K"	61.952376
"783572"	601.115388	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+Na+K"	61.952376
"1679903"	221.022588	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Na+K"	61.952376
"263870"	824.201368	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+ACN+Na"	64.015768
"1239501"	444.108568	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+ACN+Na"	64.015768
"1725105"	444.132093	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+NH4+HCOOH"	64.039293
"1191553"	149.686818	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+3Na"	68.967654
"1664238"	449.087488	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Na+HCOOH"	68.994688
"169766"	837.10464	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+2K-H"	76.91904
"604951"	1217.19744	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+2K-H"	76.91904
"1088733"	457.01184	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2K-H"	76.91904
"151021"	419.055958	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"2M+2K"	77.926316
"589488"	609.102358	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"3M+2K"	77.926316
"1075092"	229.009558	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2K"	77.926316
"1101253"	459.026392	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2K+H"	78.933592
"1338488"	459.114007	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+DMSO+H"	79.021207
"1009933"	463.153176	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2ACN+H"	83.060376
"1524654"	464.146808	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+IsoProp+Na+H"	84.054008
"990130"	232.080226	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+2ACN+2H"	84.067652
"1588400"	465.061428	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+K+HCOOH"	84.968628
"1417952"	495.092938	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+H+CF3COOH"	115.000138
"1148241"	252.593501	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+3ACN+2H"	125.094202
"1707635"	512.119485	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+NH4+CF3COOH"	132.026685
"1642194"	517.07488	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+Na+CF3COOH"	136.98208
"1586592"	533.04882	"C11190"	"Rhodamine 123"	"C21H17N2O3Cl"	"380.0928"	"M+K+CF3COOH"	152.95602
"807118"	434.164	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M"	0
"980651"	415.14561	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-H2O-H"	-19.01839
"65612"	288.435390666667	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M-3H"	-3.021828
"505173"	433.156724	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M-3H"	-3.021828
"881880"	143.714057333333	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-3H"	-3.021828
"4830"	433.156724	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M-2H"	-2.014552
"441473"	650.238724	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M-2H"	-2.014552
"819276"	216.074724	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-2H"	-2.014552
"81089"	867.320724	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M-H"	-1.007276
"521745"	1301.484724	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M-H"	-1.007276
"898815"	433.156724	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-H"	-1.007276
"47840"	884.347271	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M-2H+NH4"	16.019271
"487643"	1318.511271	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M-2H+NH4"	16.019271
"865081"	450.183271	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-2H+NH4"	16.019271
"32014"	889.302666	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M-2H+Na"	20.974666
"477653"	1323.466666	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M-2H+Na"	20.974666
"860925"	455.138666	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-2H+Na"	20.974666
"1632646"	455.138666	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Na-2H"	20.974666
"108081"	451.145063	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M-H+Cl"	33.962126
"545453"	668.227063	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M-H+Cl"	33.962126
"941044"	234.063063	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-H+Cl"	33.962126
"274253"	903.297402	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+Cl"	34.969402
"667766"	1337.461402	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+Cl"	34.969402
"1277982"	469.133402	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Cl"	34.969402
"18356"	905.276606	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M-2H+K"	36.948606
"457306"	1339.440606	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M-2H+K"	36.948606
"834014"	471.112606	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-2H+K"	36.948606
"1556651"	471.112606	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+K-2H"	36.948606
"944533"	479.162194	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-H+HCOOH"	44.998194
"362390"	913.326201	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+HCOOH-H"	44.998201
"348094"	927.341851	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+Hac-H"	59.013851
"1493649"	493.177851	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Hac-H"	59.013851
"960098"	501.144151	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-H+NaCOOH"	66.980151
"115566"	469.133402	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+2Cl"	69.938804
"560596"	686.215402	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+2Cl"	69.938804
"1026116"	252.051402	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2Cl"	69.938804
"1244600"	513.082885	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Br"	78.918885
"1306318"	515.138872	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Cl+HCOOH"	80.974872
"1320533"	537.120829	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Cl+NaCOOH"	102.956829
"913410"	547.149586	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M-H+CF3COOH"	112.985586
"1300703"	583.126264	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Cl+CF3COOH"	148.962264
"1378134"	399.151324	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H-2H2O"	-35.012676
"1395996"	417.1613	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H-H2O"	-17.0027
"292036"	869.335276	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+H"	1.007276
"686289"	1303.499276	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+H"	1.007276
"1364824"	435.171276	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H"	1.007276
"138808"	435.171276	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+2H"	2.014552
"577640"	652.253276	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+2H"	2.014552
"1048258"	218.089276	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2H"	2.014552
"217253"	290.449942666667	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+3H"	3.021828
"652802"	435.171276	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+3H"	3.021828
"1169832"	145.728609333333	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+3H"	3.021828
"426540"	886.361823	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+NH4"	18.033823
"789359"	1320.525823	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+NH4"	18.033823
"1692986"	452.197823	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+NH4"	18.033823
"344918"	443.6845495	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+H+NH4"	19.041099
"738381"	660.7665495	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+H+NH4"	19.041099
"1491891"	226.6025495	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H+NH4"	19.041099
"407285"	891.317218	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+Na"	22.989218
"761350"	1325.481218	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+Na"	22.989218
"1617833"	457.153218	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Na"	22.989218
"321672"	446.162247	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+H+Na"	23.996494
"721387"	663.244247	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+H+Na"	23.996494
"1474843"	229.080247	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H+Na"	23.996494
"1068218"	153.055923333333	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2H+Na"	25.00377
"1266132"	467.197486	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+CH3OH+H"	33.033486
"385800"	907.291158	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+K"	38.963158
"751169"	1341.455158	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+K"	38.963158
"1555046"	473.127158	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+K"	38.963158
"313882"	454.149217	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+H+K"	39.970434
"698441"	671.231217	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+H+K"	39.970434
"1452261"	237.067217	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H+K"	39.970434
"237581"	910.361826	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+ACN+H"	42.033826
"1212476"	476.197826	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+ACN+H"	42.033826
"1196722"	238.602551	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+ACN+2H"	43.041102
"192872"	913.29916	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+2Na-H"	44.97116
"632068"	1347.46316	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+2Na-H"	44.97116
"1133754"	479.13516	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2Na-H"	44.97116
"177040"	457.153218	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+2Na"	45.978436
"616240"	674.235218	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+2Na"	45.978436
"1119378"	240.071218	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2Na"	45.978436
"1403635"	160.383237333333	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H+2Na"	46.985712
"1432471"	481.176746	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H+HCOOH"	47.012746
"226179"	462.18624	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+3H2O+2H"	56.04448
"1516433"	495.22879	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+IsoProp+H"	61.06479
"418306"	465.140188	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+Na+K"	61.952376
"783682"	682.222188	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+Na+K"	61.952376
"1679284"	248.058188	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Na+K"	61.952376
"264708"	932.343768	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+ACN+Na"	64.015768
"1238880"	498.179768	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+ACN+Na"	64.015768
"1725942"	498.203293	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+NH4+HCOOH"	64.039293
"1190568"	167.710551333333	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+3Na"	68.967654
"1662280"	503.158688	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Na+HCOOH"	68.994688
"169876"	945.24704	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+2K-H"	76.91904
"606519"	1379.41104	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+2K-H"	76.91904
"1086656"	511.08304	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2K-H"	76.91904
"150038"	473.127158	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"2M+2K"	77.926316
"591784"	690.209158	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"3M+2K"	77.926316
"1076296"	256.045158	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2K"	77.926316
"1102944"	513.097592	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2K+H"	78.933592
"1338598"	513.185207	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+DMSO+H"	79.021207
"1013323"	517.224376	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2ACN+H"	83.060376
"1524237"	518.218008	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+IsoProp+Na+H"	84.054008
"991701"	259.115826	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+2ACN+2H"	84.067652
"1587781"	519.132628	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+K+HCOOH"	84.968628
"1418062"	549.164138	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+H+CF3COOH"	115.000138
"1150538"	279.629101	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+3ACN+2H"	125.094202
"1707745"	566.190685	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+NH4+CF3COOH"	132.026685
"1642304"	571.14608	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+Na+CF3COOH"	136.98208
"1586702"	587.12002	"C11191"	"cis-(Z)-Flupenthixol"	"C23H25F3N2OS"	"434.164"	"M+K+CF3COOH"	152.95602
"807228"	259.1572	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M"	0
"980761"	240.13881	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-H2O-H"	-19.01839
"64629"	171.764190666667	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M-3H"	-3.021828
"504190"	258.149924	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M-3H"	-3.021828
"883084"	85.3784573333333	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-3H"	-3.021828
"607"	258.149924	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M-2H"	-2.014552
"440366"	387.728524	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M-2H"	-2.014552
"819020"	128.571324	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-2H"	-2.014552
"81199"	517.307124	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M-H"	-1.007276
"522948"	776.464324	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M-H"	-1.007276
"898561"	258.149924	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-H"	-1.007276
"48922"	534.333671	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M-2H+NH4"	16.019271
"487632"	793.490871	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M-2H+NH4"	16.019271
"864825"	275.176471	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-2H+NH4"	16.019271
"31794"	539.289066	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M-2H+Na"	20.974666
"477763"	798.446266	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M-2H+Na"	20.974666
"861035"	280.131866	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-2H+Na"	20.974666
"1632879"	280.131866	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Na-2H"	20.974666
"107949"	276.138263	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M-H+Cl"	33.962126
"544469"	405.716863	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M-H+Cl"	33.962126
"941762"	146.559663	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-H+Cl"	33.962126
"279831"	553.283802	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+Cl"	34.969402
"664597"	812.441002	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+Cl"	34.969402
"1278092"	294.126602	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Cl"	34.969402
"16885"	555.263006	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M-2H+K"	36.948606
"456929"	814.420206	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M-2H+K"	36.948606
"833310"	296.105806	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-2H+K"	36.948606
"1556639"	296.105806	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+K-2H"	36.948606
"943143"	304.155394	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-H+HCOOH"	44.998194
"362048"	563.312601	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+HCOOH-H"	44.998201
"347111"	577.328251	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+Hac-H"	59.013851
"1494852"	318.171051	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Hac-H"	59.013851
"961301"	326.137351	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-H+NaCOOH"	66.980151
"116769"	294.126602	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+2Cl"	69.938804
"560706"	423.705202	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+2Cl"	69.938804
"1028413"	164.548002	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2Cl"	69.938804
"1247990"	338.076085	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Br"	78.918885
"1306063"	340.132072	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Cl+HCOOH"	80.974872
"1320644"	362.114029	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Cl+NaCOOH"	102.956829
"912185"	372.142786	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M-H+CF3COOH"	112.985586
"1302639"	408.119464	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Cl+CF3COOH"	148.962264
"1381163"	224.144524	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H-2H2O"	-35.012676
"1396471"	242.1545	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H-H2O"	-17.0027
"296158"	519.321676	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+H"	1.007276
"687129"	778.478876	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+H"	1.007276
"1363841"	260.164476	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H"	1.007276
"139647"	260.164476	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+2H"	2.014552
"577021"	389.743076	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+2H"	2.014552
"1043265"	130.585876	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2H"	2.014552
"215176"	173.778742666667	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+3H"	3.021828
"650725"	260.164476	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+3H"	3.021828
"1166662"	87.3930093333333	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+3H"	3.021828
"432121"	536.348223	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+NH4"	18.033823
"792022"	795.505423	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+NH4"	18.033823
"1692732"	277.191023	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+NH4"	18.033823
"344301"	268.6777495	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+H+NH4"	19.041099
"738058"	398.2563495	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+H+NH4"	19.041099
"1491876"	139.0991495	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H+NH4"	19.041099
"403745"	541.303618	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+Na"	22.989218
"759273"	800.460818	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+Na"	22.989218
"1614662"	282.146418	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Na"	22.989218
"317407"	271.155447	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+H+Na"	23.996494
"720403"	400.734047	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+H+Na"	23.996494
"1470212"	141.576847	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H+Na"	23.996494
"1067964"	94.7203233333333	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2H+Na"	25.00377
"1268430"	292.190686	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+CH3OH+H"	33.033486
"388097"	557.277558	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+K"	38.963158
"752010"	816.434758	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+K"	38.963158
"1554428"	298.120358	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+K"	38.963158
"314031"	279.142417	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+H+K"	39.970434
"697458"	408.721017	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+H+K"	39.970434
"1450184"	149.563817	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H+K"	39.970434
"237082"	560.348226	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+ACN+H"	42.033826
"1211491"	301.191026	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+ACN+H"	42.033826
"1196832"	151.099151	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+ACN+2H"	43.041102
"191888"	563.28556	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+2Na-H"	44.97116
"631081"	822.44276	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+2Na-H"	44.97116
"1134591"	304.12836	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2Na-H"	44.97116
"176421"	282.146418	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+2Na"	45.978436
"616714"	411.725018	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+2Na"	45.978436
"1118397"	152.567818	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2Na"	45.978436
"1403016"	102.047637333333	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H+2Na"	46.985712
"1432214"	306.169946	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H+HCOOH"	47.012746
"225195"	287.17944	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+3H2O+2H"	56.04448
"1516543"	320.22199	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+IsoProp+H"	61.06479
"414041"	290.133388	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+Na+K"	61.952376
"780871"	419.711988	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+Na+K"	61.952376
"1678299"	160.554788	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Na+K"	61.952376
"261173"	582.330168	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+ACN+Na"	64.015768
"1238265"	323.172968	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+ACN+Na"	64.015768
"1727388"	323.196493	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+NH4+HCOOH"	64.039293
"1191774"	109.374951333333	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+3Na"	68.967654
"1664456"	328.151888	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Na+HCOOH"	68.994688
"169622"	595.23344	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+2K-H"	76.91904
"606629"	854.39064	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+2K-H"	76.91904
"1088224"	336.07624	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2K-H"	76.91904
"150148"	298.120358	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"2M+2K"	77.926316
"591894"	427.698958	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"3M+2K"	77.926316
"1076406"	168.541758	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2K"	77.926316
"1105240"	338.090792	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2K+H"	78.933592
"1339437"	338.178407	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+DMSO+H"	79.021207
"1013433"	342.217576	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2ACN+H"	83.060376
"1526092"	343.211208	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+IsoProp+Na+H"	84.054008
"993633"	171.612426	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+2ACN+2H"	84.067652
"1588864"	344.125828	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+K+HCOOH"	84.968628
"1421452"	374.157338	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+H+CF3COOH"	115.000138
"1151741"	192.125701	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+3ACN+2H"	125.094202
"1711135"	391.183885	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+NH4+CF3COOH"	132.026685
"1642414"	396.13928	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+Na+CF3COOH"	136.98208
"1586812"	412.11322	"C11193"	"R ()-Propanolol;R-()-Propranolol;Dexpropranolol"	"C16H21NO2"	"259.1572"	"M+K+CF3COOH"	152.95602
"807338"	538.2114	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M"	0
"980871"	519.19301	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-H2O-H"	-19.01839
"65103"	357.800324	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M-3H"	-3.021828
"505393"	537.204124	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M-3H"	-3.021828
"882462"	178.396524	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-3H"	-3.021828
"3957"	537.204124	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M-2H"	-2.014552
"442056"	806.309824	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M-2H"	-2.014552
"818158"	268.098424	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-2H"	-2.014552
"82038"	1075.415524	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M-H"	-1.007276
"520871"	1613.626924	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M-H"	-1.007276
"899035"	537.204124	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-H"	-1.007276
"48791"	1092.442071	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M-2H+NH4"	16.019271
"488594"	1630.653471	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M-2H+NH4"	16.019271
"865300"	554.230671	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-2H+NH4"	16.019271
"32593"	1097.397466	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M-2H+Na"	20.974666
"474592"	1635.608866	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M-2H+Na"	20.974666
"861145"	559.186066	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-2H+Na"	20.974666
"1633119"	559.186066	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Na-2H"	20.974666
"105021"	555.192463	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M-H+Cl"	33.962126
"543487"	824.298163	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M-H+Cl"	33.962126
"941024"	286.086763	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-H+Cl"	33.962126
"278848"	1111.392202	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+Cl"	34.969402
"664707"	1649.603602	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+Cl"	34.969402
"1278202"	573.180802	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Cl"	34.969402
"15792"	1113.371406	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M-2H+K"	36.948606
"457038"	1651.582806	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M-2H+K"	36.948606
"833059"	575.160006	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-2H+K"	36.948606
"1556385"	575.160006	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+K-2H"	36.948606
"943781"	583.209594	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-H+HCOOH"	44.998194
"362482"	1121.421001	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+HCOOH-H"	44.998201
"346124"	1135.436651	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+Hac-H"	59.013851
"1494597"	597.225251	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Hac-H"	59.013851
"964691"	605.191551	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-H+NaCOOH"	66.980151
"119066"	573.180802	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+2Cl"	69.938804
"561909"	842.286502	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+2Cl"	69.938804
"1031803"	304.075102	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2Cl"	69.938804
"1244820"	617.130285	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Br"	78.918885
"1305443"	619.186272	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Cl+HCOOH"	80.974872
"1320753"	641.168229	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Cl+NaCOOH"	102.956829
"912903"	651.196986	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M-H+CF3COOH"	112.985586
"1303477"	687.173664	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Cl+CF3COOH"	148.962264
"1382366"	503.198724	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H-2H2O"	-35.012676
"1396947"	521.2087	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H-H2O"	-17.0027
"296267"	1077.430076	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+H"	1.007276
"689061"	1615.641476	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+H"	1.007276
"1364680"	539.218676	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H"	1.007276
"137936"	539.218676	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+2H"	2.014552
"576037"	808.324376	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+2H"	2.014552
"1043375"	270.112976	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2H"	2.014552
"215650"	359.814876	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+3H"	3.021828
"651928"	539.218676	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+3H"	3.021828
"1166772"	180.411076	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+3H"	3.021828
"430044"	1094.456623	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+NH4"	18.033823
"789944"	1632.668023	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+NH4"	18.033823
"1693206"	556.245223	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+NH4"	18.033823
"344411"	547.7319495	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+H+NH4"	19.041099
"735734"	816.8376495	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+H+NH4"	19.041099
"1489552"	278.6262495	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H+NH4"	19.041099
"400575"	1099.412018	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+Na"	22.989218
"759383"	1637.623418	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+Na"	22.989218
"1611856"	561.200618	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Na"	22.989218
"316422"	550.209647	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+H+Na"	23.996494
"719055"	819.315347	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+H+Na"	23.996494
"1470322"	281.103947	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H+Na"	23.996494
"1066010"	187.73839	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2H+Na"	25.00377
"1272659"	571.244886	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+CH3OH+H"	33.033486
"387479"	1115.385958	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+K"	38.963158
"752120"	1653.597358	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+K"	38.963158
"1554173"	577.174558	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+K"	38.963158
"312441"	558.196617	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+H+K"	39.970434
"696475"	827.302317	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+H+K"	39.970434
"1447012"	289.090917	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H+K"	39.970434
"237433"	1118.456626	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+ACN+H"	42.033826
"1210509"	580.245226	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+ACN+H"	42.033826
"1198765"	290.626251	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+ACN+2H"	43.041102
"193820"	1121.39396	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+2Na-H"	44.97116
"633014"	1659.60536	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+2Na-H"	44.97116
"1135794"	583.18256	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2Na-H"	44.97116
"177991"	561.200618	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+2Na"	45.978436
"618645"	830.306318	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+2Na"	45.978436
"1119603"	292.094918	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2Na"	45.978436
"1402397"	195.065704	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H+2Na"	46.985712
"1435603"	585.224146	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H+HCOOH"	47.012746
"226399"	566.23364	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+3H2O+2H"	56.04448
"1519933"	599.27619	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+IsoProp+H"	61.06479
"416338"	569.187588	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+Na+K"	61.952376
"782803"	838.293288	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+Na+K"	61.952376
"1676585"	300.081888	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Na+K"	61.952376
"262012"	1140.438568	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+ACN+Na"	64.015768
"1238977"	602.227168	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+ACN+Na"	64.015768
"1725067"	602.250693	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+NH4+HCOOH"	64.039293
"1191394"	202.393018	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+3Na"	68.967654
"1657033"	607.206088	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Na+HCOOH"	68.994688
"166087"	1153.34184	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+2K-H"	76.91904
"604552"	1691.55324	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+2K-H"	76.91904
"1087969"	615.13044	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2K-H"	76.91904
"150256"	577.174558	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"2M+2K"	77.926316
"588723"	846.280258	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"3M+2K"	77.926316
"1075423"	308.068858	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2K"	77.926316
"1102069"	617.144992	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2K+H"	78.933592
"1337360"	617.232607	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+DMSO+H"	79.021207
"1010263"	621.271776	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2ACN+H"	83.060376
"1526202"	622.265408	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+IsoProp+Na+H"	84.054008
"993743"	311.139526	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+2ACN+2H"	84.067652
"1589703"	623.180028	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+K+HCOOH"	84.968628
"1421562"	653.211538	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+H+CF3COOH"	115.000138
"1150755"	331.652801	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+3ACN+2H"	125.094202
"1701404"	670.238085	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+NH4+CF3COOH"	132.026685
"1645804"	675.19348	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+Na+CF3COOH"	136.98208
"1586922"	691.16742	"C11194"	"Morfamquat;Morfamquat dichloride"	"C26H36N4O42Cl"	"538.2114"	"M+K+CF3COOH"	152.95602
"807448"	444.2009	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M"	0
"980981"	425.18251	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-H2O-H"	-19.01839
"65213"	295.126657333333	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M-3H"	-3.021828
"504531"	443.193624	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M-3H"	-3.021828
"880749"	147.059690666667	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-3H"	-3.021828
"908"	443.193624	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M-2H"	-2.014552
"440828"	665.294074	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M-2H"	-2.014552
"819240"	221.093174	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-2H"	-2.014552
"81421"	887.394524	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M-H"	-1.007276
"522075"	1331.595424	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M-H"	-1.007276
"899145"	443.193624	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-H"	-1.007276
"48900"	904.421071	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M-2H+NH4"	16.019271
"489555"	1348.621971	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M-2H+NH4"	16.019271
"864679"	460.220171	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-2H+NH4"	16.019271
"31729"	909.376466	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M-2H+Na"	20.974666
"479077"	1353.577366	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M-2H+Na"	20.974666
"862348"	465.175566	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-2H+Na"	20.974666
"1632622"	465.175566	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Na-2H"	20.974666
"105131"	461.181963	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M-H+Cl"	33.962126
"542503"	683.282413	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M-H+Cl"	33.962126
"938216"	239.081513	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-H+Cl"	33.962126
"273491"	923.371202	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+Cl"	34.969402
"662751"	1367.572102	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+Cl"	34.969402
"1277216"	479.170302	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Cl"	34.969402
"18686"	925.350406	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M-2H+K"	36.948606
"455810"	1369.551306	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M-2H+K"	36.948606
"836046"	481.149506	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-2H+K"	36.948606
"1555710"	481.149506	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+K-2H"	36.948606
"943038"	489.199094	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-H+HCOOH"	44.998194
"362107"	933.400001	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+HCOOH-H"	44.998201
"346234"	947.415651	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+Hac-H"	59.013851
"1493855"	503.214751	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Hac-H"	59.013851
"963708"	511.181051	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-H+NaCOOH"	66.980151
"116989"	479.170302	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+2Cl"	69.938804
"562019"	701.270752	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+2Cl"	69.938804
"1030820"	257.069852	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2Cl"	69.938804
"1246023"	523.119785	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Br"	78.918885
"1306283"	525.175772	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Cl+HCOOH"	80.974872
"1320740"	547.157729	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Cl+NaCOOH"	102.956829
"911372"	557.186486	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M-H+CF3COOH"	112.985586
"1303466"	593.163164	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Cl+CF3COOH"	148.962264
"1379924"	409.188224	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H-2H2O"	-35.012676
"1397057"	427.1982	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H-H2O"	-17.0027
"295648"	889.409076	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+H"	1.007276
"689531"	1333.609976	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+H"	1.007276
"1365154"	445.208176	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H"	1.007276
"137680"	445.208176	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+2H"	2.014552
"573594"	667.308626	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+2H"	2.014552
"1042392"	223.107726	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2H"	2.014552
"215758"	297.141209333333	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+3H"	3.021828
"654224"	445.208176	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+3H"	3.021828
"1168339"	149.074242666667	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+3H"	3.021828
"430154"	906.435623	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+NH4"	18.033823
"790054"	1350.636523	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+NH4"	18.033823
"1694044"	462.234723	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+NH4"	18.033823
"344523"	453.7214495	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+H+NH4"	19.041099
"735844"	675.8218995	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+H+NH4"	19.041099
"1490026"	231.6209995	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H+NH4"	19.041099
"399592"	911.391018	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+Na"	22.989218
"759493"	1355.591918	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+Na"	22.989218
"1611966"	467.190118	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Na"	22.989218
"316532"	456.199147	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+H+Na"	23.996494
"718801"	678.299597	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+H+Na"	23.996494
"1470432"	234.098697	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H+Na"	23.996494
"1066365"	156.401556666667	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2H+Na"	25.00377
"1270840"	477.234386	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+CH3OH+H"	33.033486
"386861"	927.364958	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+K"	38.963158
"752230"	1371.565858	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+K"	38.963158
"1554282"	483.164058	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+K"	38.963158
"312551"	464.186117	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+H+K"	39.970434
"696584"	686.286567	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+H+K"	39.970434
"1448216"	242.085667	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H+K"	39.970434
"237180"	930.435626	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+ACN+H"	42.033826
"1213169"	486.234726	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+ACN+H"	42.033826
"1198145"	243.621001	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+ACN+2H"	43.041102
"193202"	933.37296	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+2Na-H"	44.97116
"633491"	1377.57386	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+2Na-H"	44.97116
"1136998"	489.17206	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2Na-H"	44.97116
"178101"	467.190118	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+2Na"	45.978436
"618028"	689.290568	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+2Na"	45.978436
"1119713"	245.089668	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2Na"	45.978436
"1403600"	163.728870666667	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H+2Na"	46.985712
"1434256"	491.213646	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H+HCOOH"	47.012746
"224323"	472.22314	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+3H2O+2H"	56.04448
"1514573"	505.26569	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+IsoProp+H"	61.06479
"416444"	475.177088	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+Na+K"	61.952376
"780724"	697.277538	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+Na+K"	61.952376
"1672678"	253.076638	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Na+K"	61.952376
"263580"	952.417568	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+ACN+Na"	64.015768
"1239205"	508.216668	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+ACN+Na"	64.015768
"1723718"	508.240193	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+NH4+HCOOH"	64.039293
"1188343"	171.056184666667	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+3Na"	68.967654
"1654955"	513.195588	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Na+HCOOH"	68.994688
"160727"	965.32084	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+2K-H"	76.91904
"601378"	1409.52174	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+2K-H"	76.91904
"1088077"	521.11994	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2K-H"	76.91904
"148177"	483.164058	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"2M+2K"	77.926316
"585550"	705.264508	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"3M+2K"	77.926316
"1072250"	261.063608	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2K"	77.926316
"1101084"	523.134492	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2K+H"	78.933592
"1335928"	523.222107	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+DMSO+H"	79.021207
"1009279"	527.261276	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2ACN+H"	83.060376
"1525339"	528.254908	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+IsoProp+Na+H"	84.054008
"992030"	264.134276	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+2ACN+2H"	84.067652
"1587625"	529.169528	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+K+HCOOH"	84.968628
"1416204"	559.201038	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+H+CF3COOH"	115.000138
"1150865"	284.647551	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+3ACN+2H"	125.094202
"1697499"	576.227585	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+NH4+CF3COOH"	132.026685
"1642633"	581.18298	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+Na+CF3COOH"	136.98208
"1580471"	597.15692	"C11195"	"Mitoxantrone"	"C22H28N4O6"	"444.2009"	"M+K+CF3COOH"	152.95602
"807558"	162.0463	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M"	0
"981091"	143.02791	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-H2O-H"	-19.01839
"66052"	107.023590666667	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M-3H"	-3.021828
"504520"	161.039024	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M-3H"	-3.021828
"880737"	53.0081573333333	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-3H"	-3.021828
"895"	161.039024	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M-2H"	-2.014552
"441183"	242.062174	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M-2H"	-2.014552
"818984"	80.015874	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-2H"	-2.014552
"81165"	323.085324	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M-H"	-1.007276
"521817"	485.131624	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M-H"	-1.007276
"898162"	161.039024	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-H"	-1.007276
"49131"	340.111871	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M-2H+NH4"	16.019271
"488081"	502.158171	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M-2H+NH4"	16.019271
"864664"	178.065571	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-2H+NH4"	16.019271
"31839"	345.067266	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M-2H+Na"	20.974666
"480280"	507.113566	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M-2H+Na"	20.974666
"862458"	183.020966	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-2H+Na"	20.974666
"1633867"	183.020966	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Na-2H"	20.974666
"105241"	179.027363	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M-H+Cl"	33.962126
"541520"	260.050513	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M-H+Cl"	33.962126
"937233"	98.004213	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-H+Cl"	33.962126
"275789"	359.062002	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+Cl"	34.969402
"668208"	521.108302	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+Cl"	34.969402
"1276236"	197.015702	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Cl"	34.969402
"22076"	361.041206	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M-2H+K"	36.948606
"458354"	523.087506	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M-2H+K"	36.948606
"835426"	198.994906	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-2H+K"	36.948606
"1556238"	198.994906	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+K-2H"	36.948606
"943757"	207.044494	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-H+HCOOH"	44.998194
"361974"	369.090801	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+HCOOH-H"	44.998201
"346344"	383.106451	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+Hac-H"	59.013851
"1495545"	221.060151	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Hac-H"	59.013851
"964912"	229.026451	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-H+NaCOOH"	66.980151
"122567"	197.015702	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+2Cl"	69.938804
"562129"	278.038852	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+2Cl"	69.938804
"1032024"	115.992552	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2Cl"	69.938804
"1248321"	240.965185	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Br"	78.918885
"1307852"	243.021172	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Cl+HCOOH"	80.974872
"1322066"	265.003129	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Cl+NaCOOH"	102.956829
"911461"	275.031886	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M-H+CF3COOH"	112.985586
"1303575"	311.008564	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Cl+CF3COOH"	148.962264
"1382664"	127.033624	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H-2H2O"	-35.012676
"1395708"	145.0436	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H-H2O"	-17.0027
"298358"	325.099876	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+H"	1.007276
"691284"	487.146176	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+H"	1.007276
"1366359"	163.053576	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H"	1.007276
"139248"	163.053576	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+2H"	2.014552
"575527"	244.076726	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+2H"	2.014552
"1043595"	82.030426	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2H"	2.014552
"213682"	109.038142666667	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+3H"	3.021828
"653241"	163.053576	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+3H"	3.021828
"1167720"	55.0227093333333	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+3H"	3.021828
"430264"	342.126423	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+NH4"	18.033823
"790529"	504.172723	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+NH4"	18.033823
"1693061"	180.080123	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+NH4"	18.033823
"345442"	171.5668495	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+H+NH4"	19.041099
"737046"	252.5899995	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+H+NH4"	19.041099
"1490500"	90.5436995	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H+NH4"	19.041099
"399702"	347.081818	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+Na"	22.989218
"759603"	509.128118	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+Na"	22.989218
"1612076"	185.035518	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Na"	22.989218
"317006"	174.044547	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+H+Na"	23.996494
"718910"	255.067697	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+H+Na"	23.996494
"1467262"	93.021397	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H+Na"	23.996494
"1068420"	62.3500233333333	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2H+Na"	25.00377
"1271678"	195.079786	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+CH3OH+H"	33.033486
"388794"	363.055758	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+K"	38.963158
"753070"	525.102058	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+K"	38.963158
"1554757"	201.009458	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+K"	38.963158
"312659"	182.031517	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+H+K"	39.970434
"697788"	263.054667	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+H+K"	39.970434
"1449419"	101.008367	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H+K"	39.970434
"239113"	366.126426	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+ACN+H"	42.033826
"1211820"	204.080126	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+ACN+H"	42.033826
"1195698"	102.543701	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+ACN+2H"	43.041102
"192948"	369.06376	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+2Na-H"	44.97116
"633601"	531.11006	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+2Na-H"	44.97116
"1138203"	207.01746	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2Na-H"	44.97116
"178211"	185.035518	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+2Na"	45.978436
"622146"	266.058668	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+2Na"	45.978436
"1123467"	104.012368	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2Na"	45.978436
"1404803"	69.6773373333333	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H+2Na"	46.985712
"1434732"	209.059046	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H+HCOOH"	47.012746
"225524"	190.06854	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+3H2O+2H"	56.04448
"1515776"	223.11109	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+IsoProp+H"	61.06479
"415461"	193.022488	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+Na+K"	61.952376
"777554"	274.045638	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+Na+K"	61.952376
"1670966"	111.999338	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Na+K"	61.952376
"260403"	388.108368	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+ACN+Na"	64.015768
"1238950"	226.062068	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+ACN+Na"	64.015768
"1724192"	226.085593	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+NH4+HCOOH"	64.039293
"1189546"	77.0046513333333	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+3Na"	68.967654
"1656158"	231.040988	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Na+HCOOH"	68.994688
"159744"	401.01164	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+2K-H"	76.91904
"602582"	563.05794	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+2K-H"	76.91904
"1086365"	238.96534	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2K-H"	76.91904
"146101"	201.009458	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"2M+2K"	77.926316
"585660"	282.032608	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"3M+2K"	77.926316
"1070174"	119.986308	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2K"	77.926316
"1099971"	240.979892	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2K+H"	78.933592
"1336363"	241.067507	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+DMSO+H"	79.021207
"1009389"	245.106676	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2ACN+H"	83.060376
"1525692"	246.100308	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+IsoProp+Na+H"	84.054008
"991776"	123.056976	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+2ACN+2H"	84.067652
"1587127"	247.014928	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+K+HCOOH"	84.968628
"1420689"	277.046438	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+H+CF3COOH"	115.000138
"1149882"	143.570251	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+3ACN+2H"	125.094202
"1697368"	294.072985	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+NH4+CF3COOH"	132.026685
"1636181"	299.02838	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+Na+CF3COOH"	136.98208
"1577300"	315.00232	"C11196"	"Methomyl"	"C5H10N2O2S"	"162.0463"	"M+K+CF3COOH"	152.95602
"807668"	2844.7542	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M"	0
"979014"	2825.73581	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-H2O-H"	-19.01839
"65433"	1895.495524	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M-3H"	-3.021828
"504630"	2843.746924	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M-3H"	-3.021828
"882062"	947.244124	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-3H"	-3.021828
"6474"	2843.746924	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M-2H"	-2.014552
"443482"	4266.124024	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M-2H"	-2.014552
"820188"	1421.369824	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-2H"	-2.014552
"84191"	5688.501124	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M-H"	-1.007276
"523021"	8533.255324	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M-H"	-1.007276
"898999"	2843.746924	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-H"	-1.007276
"49363"	5705.527671	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M-2H+NH4"	16.019271
"488558"	8550.281871	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M-2H+NH4"	16.019271
"864286"	2860.773471	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-2H+NH4"	16.019271
"33899"	5710.483066	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M-2H+Na"	20.974666
"480390"	8555.237266	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M-2H+Na"	20.974666
"863915"	2865.728866	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-2H+Na"	20.974666
"1634059"	2865.728866	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Na-2H"	20.974666
"109984"	2861.735263	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M-H+Cl"	33.962126
"547098"	4284.112363	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M-H+Cl"	33.962126
"940622"	1439.358163	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-H+Cl"	33.962126
"280271"	5724.477802	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+Cl"	34.969402
"668318"	8569.232002	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+Cl"	34.969402
"1278533"	2879.723602	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Cl"	34.969402
"18906"	5726.457006	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M-2H+K"	36.948606
"458829"	8571.211206	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M-2H+K"	36.948606
"835900"	2881.702806	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-2H+K"	36.948606
"1558660"	2881.702806	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+K-2H"	36.948606
"948729"	2889.752394	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-H+HCOOH"	44.998194
"362691"	5734.506601	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+HCOOH-H"	44.998201
"347061"	5748.522251	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+Hac-H"	59.013851
"1497113"	2903.768051	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Hac-H"	59.013851
"968302"	2911.734351	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-H+NaCOOH"	66.980151
"122677"	2879.723602	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+2Cl"	69.938804
"562239"	4302.100702	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+2Cl"	69.938804
"1032134"	1457.346502	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2Cl"	69.938804
"1247338"	2923.673085	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Br"	78.918885
"1310878"	2925.729072	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Cl+HCOOH"	80.974872
"1322178"	2947.711029	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Cl+NaCOOH"	102.956829
"913962"	2957.739786	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M-H+CF3COOH"	112.985586
"1303767"	2993.716464	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Cl+CF3COOH"	148.962264
"1381242"	2809.741524	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H-2H2O"	-35.012676
"1395454"	2827.7515	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H-H2O"	-17.0027
"297694"	5690.515676	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+H"	1.007276
"686836"	8535.269876	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+H"	1.007276
"1365737"	2845.761476	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H"	1.007276
"136805"	2845.761476	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+2H"	2.014552
"570534"	4268.138576	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+2H"	2.014552
"1042612"	1423.384376	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2H"	2.014552
"211605"	1897.510076	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+3H"	3.021828
"654444"	2845.761476	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+3H"	3.021828
"1168195"	949.258676	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+3H"	3.021828
"433654"	5707.542223	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+NH4"	18.033823
"790275"	8552.296423	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+NH4"	18.033823
"1692803"	2862.788023	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+NH4"	18.033823
"343641"	2854.2747495	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+H+NH4"	19.041099
"737884"	4276.6518495	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+H+NH4"	19.041099
"1490610"	1431.8976495	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H+NH4"	19.041099
"403092"	5712.497618	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+Na"	22.989218
"759713"	8557.251818	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+Na"	22.989218
"1608906"	2867.743418	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Na"	22.989218
"318940"	2856.752447	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+H+Na"	23.996494
"718292"	4279.129547	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+H+Na"	23.996494
"1468464"	1434.375347	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H+Na"	23.996494
"1068211"	956.58599	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2H+Na"	25.00377
"1272313"	2877.787686	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+CH3OH+H"	33.033486
"390726"	5728.471558	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+K"	38.963158
"754153"	8573.225758	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+K"	38.963158
"1553768"	2883.717358	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+K"	38.963158
"309850"	2864.739417	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+H+K"	39.970434
"700084"	4287.116517	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+H+K"	39.970434
"1451717"	1442.362317	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H+K"	39.970434
"242504"	5731.542226	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+ACN+H"	42.033826
"1218490"	2886.788026	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+ACN+H"	42.033826
"1200186"	1443.897651	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+ACN+2H"	43.041102
"196339"	5734.47956	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+2Na-H"	44.97116
"635900"	8579.23376	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+2Na-H"	44.97116
"1141228"	2889.72536	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2Na-H"	44.97116
"179780"	2867.743418	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+2Na"	45.978436
"622622"	4290.120518	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+2Na"	45.978436
"1122849"	1445.366318	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2Na"	45.978436
"1404914"	963.913304	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H+2Na"	46.985712
"1435571"	2891.766946	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H+HCOOH"	47.012746
"227091"	2872.77644	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+3H2O+2H"	56.04448
"1515886"	2905.81899	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+IsoProp+H"	61.06479
"416665"	2875.730388	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+Na+K"	61.952376
"778757"	4298.107488	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+Na+K"	61.952376
"1672899"	1453.353288	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Na+K"	61.952376
"261607"	5753.524168	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+ACN+Na"	64.015768
"1240885"	2908.769968	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+ACN+Na"	64.015768
"1725397"	2908.793493	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+NH4+HCOOH"	64.039293
"1190749"	971.240618	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+3Na"	68.967654
"1661736"	2913.748888	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Na+HCOOH"	68.994688
"163131"	5766.42744	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+2K-H"	76.91904
"600503"	8611.18164	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+2K-H"	76.91904
"1084646"	2921.67324	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2K-H"	76.91904
"146211"	2883.717358	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"2M+2K"	77.926316
"585041"	4306.094458	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"3M+2K"	77.926316
"1072471"	1461.340258	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2K"	77.926316
"1101910"	2923.687792	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2K+H"	78.933592
"1337322"	2923.775407	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+DMSO+H"	79.021207
"1009499"	2927.814576	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2ACN+H"	83.060376
"1529812"	2928.808208	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+IsoProp+Na+H"	84.054008
"993343"	1464.410926	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+2ACN+2H"	84.067652
"1589668"	2929.722828	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+K+HCOOH"	84.968628
"1420799"	2959.754338	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+H+CF3COOH"	115.000138
"1153272"	1484.924201	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+3ACN+2H"	125.094202
"1699544"	2976.780885	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+NH4+CF3COOH"	132.026685
"1634748"	2981.73628	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+Na+CF3COOH"	136.98208
"1577410"	2997.71022	"C11198"	"Melitten;Melittin"	"C131H229N39O31"	"2844.7542"	"M+K+CF3COOH"	152.95602
"807778"	514.1093	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M"	0
"980218"	495.09091	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-H2O-H"	-19.01839
"65179"	341.732257333333	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M-3H"	-3.021828
"504740"	513.102024	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M-3H"	-3.021828
"880958"	170.362490666667	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-3H"	-3.021828
"3304"	513.102024	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M-2H"	-2.014552
"440675"	770.156674	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M-2H"	-2.014552
"819571"	256.047374	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-2H"	-2.014552
"82844"	1027.211324	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M-H"	-1.007276
"521309"	1541.320624	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M-H"	-1.007276
"898016"	513.102024	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-H"	-1.007276
"48259"	1044.237871	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M-2H+NH4"	16.019271
"489762"	1558.347171	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M-2H+NH4"	16.019271
"865379"	530.128571	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-2H+NH4"	16.019271
"33279"	1049.193266	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M-2H+Na"	20.974666
"472841"	1563.302566	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M-2H+Na"	20.974666
"862680"	535.083966	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-2H+Na"	20.974666
"1627837"	535.083966	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Na-2H"	20.974666
"108378"	531.090363	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M-H+Cl"	33.962126
"546844"	788.145013	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M-H+Cl"	33.962126
"941583"	274.035713	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-H+Cl"	33.962126
"281475"	1063.188002	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+Cl"	34.969402
"668428"	1577.297302	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+Cl"	34.969402
"1277550"	549.078702	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Cl"	34.969402
"22296"	1065.167206	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M-2H+K"	36.948606
"457846"	1579.276506	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M-2H+K"	36.948606
"835646"	551.057906	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-2H+K"	36.948606
"1558770"	551.057906	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+K-2H"	36.948606
"948839"	559.107494	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-H+HCOOH"	44.998194
"362437"	1073.216801	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+HCOOH-H"	44.998201
"346686"	1087.232451	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+Hac-H"	59.013851
"1497223"	573.123151	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Hac-H"	59.013851
"968412"	581.089451	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-H+NaCOOH"	66.980151
"121695"	549.078702	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+2Cl"	69.938804
"562714"	806.133352	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+2Cl"	69.938804
"1031151"	292.024052	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2Cl"	69.938804
"1246355"	593.028185	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Br"	78.918885
"1305885"	595.084172	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Cl+HCOOH"	80.974872
"1321924"	617.066129	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Cl+NaCOOH"	102.956829
"911841"	627.094886	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M-H+CF3COOH"	112.985586
"1300269"	663.071564	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Cl+CF3COOH"	148.962264
"1380254"	479.096624	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H-2H2O"	-35.012676
"1394835"	497.1066	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H-H2O"	-17.0027
"298508"	1029.225876	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+H"	1.007276
"690228"	1543.335176	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+H"	1.007276
"1366581"	515.116576	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H"	1.007276
"139833"	515.116576	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+2H"	2.014552
"576476"	772.171226	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+2H"	2.014552
"1044908"	258.061926	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2H"	2.014552
"211715"	343.746809333333	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+3H"	3.021828
"653461"	515.116576	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+3H"	3.021828
"1169399"	172.377042666667	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+3H"	3.021828
"430484"	1046.252423	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+NH4"	18.033823
"792572"	1560.361723	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+NH4"	18.033823
"1693277"	532.143123	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+NH4"	18.033823
"345623"	523.6298495	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+H+NH4"	19.041099
"736537"	780.6844995	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+H+NH4"	19.041099
"1489262"	266.5751995	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H+NH4"	19.041099
"403202"	1051.207818	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+Na"	22.989218
"764197"	1565.317118	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+Na"	22.989218
"1611203"	537.098518	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Na"	22.989218
"323424"	526.107547	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+H+Na"	23.996494
"719860"	783.162197	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+H+Na"	23.996494
"1469668"	269.052897	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H+Na"	23.996494
"1068036"	179.704356666667	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2H+Na"	25.00377
"1271899"	547.142786	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+CH3OH+H"	33.033486
"392652"	1067.181758	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+K"	38.963158
"754064"	1581.291058	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+K"	38.963158
"1555300"	553.072458	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+K"	38.963158
"309960"	534.094517	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+H+K"	39.970434
"700194"	791.149167	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+H+K"	39.970434
"1454014"	277.039867	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H+K"	39.970434
"241522"	1070.252426	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+ACN+H"	42.033826
"1215686"	556.143126	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+ACN+H"	42.033826
"1199203"	278.575201	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+ACN+2H"	43.041102
"195356"	1073.18976	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+2Na-H"	44.97116
"636010"	1587.29906	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+2Na-H"	44.97116
"1139516"	559.08046	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2Na-H"	44.97116
"180619"	537.098518	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+2Na"	45.978436
"620545"	794.153168	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+2Na"	45.978436
"1124779"	280.043868	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2Na"	45.978436
"1405024"	187.031670666667	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H+2Na"	46.985712
"1433494"	561.122046	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H+HCOOH"	47.012746
"224651"	542.13154	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+3H2O+2H"	56.04448
"1517089"	575.17409	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+IsoProp+H"	61.06479
"416775"	545.085488	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+Na+K"	61.952376
"776680"	802.140138	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+Na+K"	61.952376
"1674102"	288.030838	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Na+K"	61.952376
"257343"	1092.234368	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+ACN+Na"	64.015768
"1230414"	578.125068	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+ACN+Na"	64.015768
"1725504"	578.148593	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+NH4+HCOOH"	64.039293
"1193047"	194.358984666667	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+3Na"	68.967654
"1662940"	583.103988	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Na+HCOOH"	68.994688
"161058"	1105.13764	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+2K-H"	76.91904
"604988"	1619.24694	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+2K-H"	76.91904
"1090594"	591.02834	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2K-H"	76.91904
"145228"	553.072458	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"2M+2K"	77.926316
"585881"	810.127108	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"3M+2K"	77.926316
"1071850"	296.017808	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2K"	77.926316
"1103602"	593.042892	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2K+H"	78.933592
"1338527"	593.130507	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+DMSO+H"	79.021207
"1011795"	597.169676	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2ACN+H"	83.060376
"1531014"	598.163308	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+IsoProp+Na+H"	84.054008
"995275"	299.088476	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+2ACN+2H"	84.067652
"1590143"	599.077928	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+K+HCOOH"	84.968628
"1420909"	629.109438	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+H+CF3COOH"	115.000138
"1154476"	319.601751	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+3ACN+2H"	125.094202
"1698561"	646.135985	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+NH4+CF3COOH"	132.026685
"1634942"	651.09138	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+Na+CF3COOH"	136.98208
"1578613"	667.06532	"C11199"	"Cefpirome;HR 810"	"C22H22N6O5S2"	"514.1093"	"M+K+CF3COOH"	152.95602
"807888"	234.1368	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M"	0
"980328"	215.11841	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-H2O-H"	-19.01839
"75133"	155.083924	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M-3H"	-3.021828
"511411"	233.129524	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M-3H"	-3.021828
"885933"	77.038324	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-3H"	-3.021828
"6694"	233.129524	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M-2H"	-2.014552
"442606"	350.197924	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M-2H"	-2.014552
"819682"	116.061124	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-2H"	-2.014552
"82954"	467.266324	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M-H"	-1.007276
"521783"	701.403124	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M-H"	-1.007276
"900311"	233.129524	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-H"	-1.007276
"54686"	484.292871	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M-2H+NH4"	16.019271
"490965"	718.429671	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M-2H+NH4"	16.019271
"867674"	250.156071	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-2H+NH4"	16.019271
"36669"	489.248266	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M-2H+Na"	20.974666
"477326"	723.385066	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M-2H+Na"	20.974666
"854037"	255.111466	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-2H+Na"	20.974666
"1627945"	255.111466	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Na-2H"	20.974666
"102289"	251.117863	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M-H+Cl"	33.962126
"541850"	368.186263	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M-H+Cl"	33.962126
"941207"	134.049463	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-H+Cl"	33.962126
"279035"	503.243002	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+Cl"	34.969402
"671818"	737.379802	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+Cl"	34.969402
"1277660"	269.106202	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Cl"	34.969402
"22406"	505.222206	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M-2H+K"	36.948606
"456741"	739.359006	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M-2H+K"	36.948606
"834299"	271.085406	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-2H+K"	36.948606
"1557787"	271.085406	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+K-2H"	36.948606
"942961"	279.134994	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-H+HCOOH"	44.998194
"362058"	513.271801	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+HCOOH-H"	44.998201
"345982"	527.287451	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+Hac-H"	59.013851
"1496240"	293.150651	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Hac-H"	59.013851
"967429"	301.116951	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-H+NaCOOH"	66.980151
"122169"	269.106202	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+2Cl"	69.938804
"562824"	386.174602	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+2Cl"	69.938804
"1033448"	152.037802	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2Cl"	69.938804
"1246465"	313.055685	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Br"	78.918885
"1306724"	315.111672	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Cl+HCOOH"	80.974872
"1322034"	337.093629	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Cl+NaCOOH"	102.956829
"912723"	347.122386	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M-H+CF3COOH"	112.985586
"1298191"	383.099064	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Cl+CF3COOH"	148.962264
"1377810"	199.124124	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H-2H2O"	-35.012676
"1393122"	217.1341	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H-H2O"	-17.0027
"296456"	469.280876	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+H"	1.007276
"691066"	703.417676	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+H"	1.007276
"1365228"	235.144076	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H"	1.007276
"141144"	235.144076	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+2H"	2.014552
"576586"	352.212476	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+2H"	2.014552
"1047935"	118.075676	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2H"	2.014552
"211825"	157.098476	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+3H"	3.021828
"652478"	235.144076	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+3H"	3.021828
"1170602"	79.052876	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+3H"	3.021828
"430594"	486.307423	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+NH4"	18.033823
"792682"	720.444223	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+NH4"	18.033823
"1692294"	252.170623	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+NH4"	18.033823
"345447"	243.6573495	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+H+NH4"	19.041099
"737011"	360.7257495	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+H+NH4"	19.041099
"1489007"	126.5889495	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H+NH4"	19.041099
"403312"	491.262818	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+Na"	22.989218
"764307"	725.399618	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+Na"	22.989218
"1610220"	257.126018	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Na"	22.989218
"322441"	246.135047	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+H+Na"	23.996494
"719242"	363.203447	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+H+Na"	23.996494
"1469778"	129.066647	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H+Na"	23.996494
"1068346"	86.38019	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2H+Na"	25.00377
"1272461"	267.170286	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+CH3OH+H"	33.033486
"392291"	507.236758	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+K"	38.963158
"753969"	741.373558	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+K"	38.963158
"1554963"	273.099958	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+K"	38.963158
"311163"	254.122017	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+H+K"	39.970434
"699209"	371.190417	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+H+K"	39.970434
"1455218"	137.053617	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H+K"	39.970434
"240539"	510.307426	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+ACN+H"	42.033826
"1216889"	276.170626	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+ACN+H"	42.033826
"1201500"	138.588951	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+ACN+2H"	43.041102
"196560"	513.24476	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+2Na-H"	44.97116
"638308"	747.38156	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+2Na-H"	44.97116
"1143635"	279.10796	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2Na-H"	44.97116
"181822"	257.126018	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+2Na"	45.978436
"622477"	374.194418	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+2Na"	45.978436
"1121245"	140.057618	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2Na"	45.978436
"1405134"	93.707504	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H+2Na"	46.985712
"1432877"	281.149546	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H+HCOOH"	47.012746
"225855"	262.15904	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+3H2O+2H"	56.04448
"1516836"	295.20159	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+IsoProp+H"	61.06479
"416889"	265.112988	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+Na+K"	61.952376
"775696"	382.181388	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+Na+K"	61.952376
"1673118"	148.044588	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Na+K"	61.952376
"259641"	532.289368	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+ACN+Na"	64.015768
"1230888"	298.152568	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+ACN+Na"	64.015768
"1723064"	298.176093	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+NH4+HCOOH"	64.039293
"1192672"	101.034818	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+3Na"	68.967654
"1661957"	303.131488	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Na+HCOOH"	68.994688
"163355"	545.19264	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+2K-H"	76.91904
"606191"	779.32944	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+2K-H"	76.91904
"1092894"	311.05584	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2K-H"	76.91904
"151900"	273.099958	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"2M+2K"	77.926316
"584169"	390.168358	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"3M+2K"	77.926316
"1070867"	156.031558	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2K"	77.926316
"1103712"	313.070392	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2K+H"	78.933592
"1338272"	313.158007	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+DMSO+H"	79.021207
"1009720"	317.197176	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2ACN+H"	83.060376
"1532219"	318.190808	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+IsoProp+Na+H"	84.054008
"993563"	159.102226	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+2ACN+2H"	84.067652
"1588431"	319.105428	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+K+HCOOH"	84.968628
"1421019"	349.136938	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+H+CF3COOH"	115.000138
"1149120"	179.615501	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+3ACN+2H"	125.094202
"1698672"	366.163485	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+NH4+CF3COOH"	132.026685
"1634686"	371.11888	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+Na+CF3COOH"	136.98208
"1573255"	387.09282	"C11200"	"Lenacil"	"C13H18N2O2"	"234.1368"	"M+K+CF3COOH"	152.95602
"807998"	495.1938	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M"	0
"981531"	476.17541	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-H2O-H"	-19.01839
"75972"	329.121924	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M-3H"	-3.021828
"511521"	494.186524	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M-3H"	-3.021828
"886043"	164.057324	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-3H"	-3.021828
"6804"	494.186524	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M-2H"	-2.014552
"443082"	741.783424	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M-2H"	-2.014552
"820885"	246.589624	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-2H"	-2.014552
"81241"	989.380324	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M-H"	-1.007276
"521529"	1484.574124	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M-H"	-1.007276
"899329"	494.186524	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-H"	-1.007276
"51516"	1006.406871	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M-2H+NH4"	16.019271
"493264"	1501.600671	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M-2H+NH4"	16.019271
"868879"	511.213071	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-2H+NH4"	16.019271
"37873"	1011.362266	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M-2H+Na"	20.974666
"477436"	1506.556066	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M-2H+Na"	20.974666
"855240"	516.168466	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-2H+Na"	20.974666
"1625869"	516.168466	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Na-2H"	20.974666
"102395"	512.174863	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M-H+Cl"	33.962126
"541958"	759.771763	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M-H+Cl"	33.962126
"941803"	264.577963	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-H+Cl"	33.962126
"281211"	1025.357002	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+Cl"	34.969402
"671928"	1520.550802	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+Cl"	34.969402
"1278863"	530.163202	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Cl"	34.969402
"20329"	1027.336206	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M-2H+K"	36.948606
"457944"	1522.530006	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M-2H+K"	36.948606
"835502"	532.142406	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-2H+K"	36.948606
"1556313"	532.142406	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+K-2H"	36.948606
"942788"	540.191994	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-H+HCOOH"	44.998194
"361587"	1035.385801	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+HCOOH-H"	44.998201
"345856"	1049.401451	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+Hac-H"	59.013851
"1493666"	554.207651	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Hac-H"	59.013851
"958591"	562.173951	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-H+NaCOOH"	66.980151
"110061"	530.163202	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+2Cl"	69.938804
"550086"	777.760102	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+2Cl"	69.938804
"1033558"	282.566302	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2Cl"	69.938804
"1247668"	574.112685	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Br"	78.918885
"1306834"	576.168672	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Cl+HCOOH"	80.974872
"1323237"	598.150629	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Cl+NaCOOH"	102.956829
"912587"	608.179386	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M-H+CF3COOH"	112.985586
"1291008"	644.156064	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Cl+CF3COOH"	148.962264
"1374638"	460.181124	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H-2H2O"	-35.012676
"1395783"	478.1911	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H-H2O"	-17.0027
"294742"	991.394876	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+H"	1.007276
"690691"	1486.588676	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+H"	1.007276
"1364973"	496.201076	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H"	1.007276
"132391"	496.201076	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+2H"	2.014552
"575232"	743.797976	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+2H"	2.014552
"1050229"	248.604176	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2H"	2.014552
"213027"	331.136476	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+3H"	3.021828
"654774"	496.201076	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+3H"	3.021828
"1165242"	166.071876	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+3H"	3.021828
"429611"	1008.421423	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+NH4"	18.033823
"792792"	1503.615223	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+NH4"	18.033823
"1691311"	513.227623	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+NH4"	18.033823
"344462"	504.7143495	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+H+NH4"	19.041099
"736029"	752.3112495	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+H+NH4"	19.041099
"1489117"	257.1174495	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H+NH4"	19.041099
"400140"	1013.376818	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+Na"	22.989218
"765146"	1508.570618	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+Na"	22.989218
"1610330"	518.183018	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Na"	22.989218
"323644"	507.192047	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+H+Na"	23.996494
"717529"	754.788947	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+H+Na"	23.996494
"1468794"	259.595147	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H+Na"	23.996494
"1067969"	173.39919	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2H+Na"	25.00377
"1272004"	528.227286	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+CH3OH+H"	33.033486
"392521"	1029.350758	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+K"	38.963158
"753997"	1524.544558	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+K"	38.963158
"1554224"	534.156958	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+K"	38.963158
"310180"	515.179017	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+H+K"	39.970434
"699319"	762.775917	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+H+K"	39.970434
"1454964"	267.582117	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H+K"	39.970434
"243928"	1032.421426	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+ACN+H"	42.033826
"1218459"	537.227626	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+ACN+H"	42.033826
"1203798"	269.117451	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+ACN+2H"	43.041102
"196669"	1035.35876	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+2Na-H"	44.97116
"639148"	1530.55256	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+2Na-H"	44.97116
"1143746"	540.16496	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2Na-H"	44.97116
"181932"	518.183018	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+2Na"	45.978436
"622588"	765.779918	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+2Na"	45.978436
"1122813"	270.586118	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2Na"	45.978436
"1408524"	180.726504	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H+2Na"	46.985712
"1436264"	542.206546	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H+HCOOH"	47.012746
"221954"	523.21604	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+3H2O+2H"	56.04448
"1516218"	556.25859	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+IsoProp+H"	61.06479
"417728"	526.169988	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+Na+K"	61.952376
"775806"	773.766888	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+Na+K"	61.952376
"1674321"	278.573088	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Na+K"	61.952376
"259751"	1054.403368	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+ACN+Na"	64.015768
"1232821"	559.209568	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+ACN+Na"	64.015768
"1724996"	559.233093	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+NH4+HCOOH"	64.039293
"1194182"	188.053818	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+3Na"	68.967654
"1662067"	564.188488	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Na+HCOOH"	68.994688
"163465"	1067.30664	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+2K-H"	76.91904
"607395"	1562.50044	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+2K-H"	76.91904
"1093004"	572.11284	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2K-H"	76.91904
"152010"	534.156958	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"2M+2K"	77.926316
"586102"	781.753858	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"3M+2K"	77.926316
"1071706"	286.560058	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2K"	77.926316
"1101635"	574.127392	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2K+H"	78.933592
"1339113"	574.215007	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+DMSO+H"	79.021207
"1012017"	578.254176	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2ACN+H"	83.060376
"1529048"	579.247808	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+IsoProp+Na+H"	84.054008
"992215"	289.630726	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+2ACN+2H"	84.067652
"1589269"	580.162428	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+K+HCOOH"	84.968628
"1424409"	610.193938	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+H+CF3COOH"	115.000138
"1156883"	310.144001	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+3ACN+2H"	125.094202
"1698782"	627.220485	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+NH4+CF3COOH"	132.026685
"1634432"	632.17588	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+Na+CF3COOH"	136.98208
"1573365"	648.14982	"C11201"	"Isometamidium chloride"	"C28H26N7Cl"	"495.1938"	"M+K+CF3COOH"	152.95602
"808108"	550.1417	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M"	0
"981641"	531.12331	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-H2O-H"	-19.01839
"77539"	365.753857333333	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M-3H"	-3.021828
"512724"	549.134424	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M-3H"	-3.021828
"886152"	182.373290666667	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-3H"	-3.021828
"2538"	549.134424	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M-2H"	-2.014552
"442825"	824.205274	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M-2H"	-2.014552
"819170"	274.063574	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-2H"	-2.014552
"79528"	1099.276124	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M-H"	-1.007276
"522733"	1649.417824	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M-H"	-1.007276
"896887"	549.134424	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-H"	-1.007276
"50534"	1116.302671	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M-2H+NH4"	16.019271
"492282"	1666.444371	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M-2H+NH4"	16.019271
"867166"	566.160971	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-2H+NH4"	16.019271
"35432"	1121.258066	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M-2H+Na"	20.974666
"472560"	1671.399766	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M-2H+Na"	20.974666
"854253"	571.116366	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-2H+Na"	20.974666
"1627072"	571.116366	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Na-2H"	20.974666
"100319"	567.122763	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M-H+Cl"	33.962126
"539150"	842.193613	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M-H+Cl"	33.962126
"941915"	292.051913	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-H+Cl"	33.962126
"281562"	1135.252802	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+Cl"	34.969402
"668758"	1685.394502	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+Cl"	34.969402
"1276786"	585.111102	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Cl"	34.969402
"18251"	1137.232006	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M-2H+K"	36.948606
"456959"	1687.373706	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M-2H+K"	36.948606
"833909"	587.090306	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-2H+K"	36.948606
"1555934"	587.090306	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+K-2H"	36.948606
"945884"	595.139894	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-H+HCOOH"	44.998194
"362034"	1145.281601	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+HCOOH-H"	44.998201
"346646"	1159.297251	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+Hac-H"	59.013851
"1493897"	609.155551	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Hac-H"	59.013851
"959744"	617.121851	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-H+NaCOOH"	66.980151
"110245"	585.111102	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+2Cl"	69.938804
"552467"	860.181952	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+2Cl"	69.938804
"1029291"	310.040252	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2Cl"	69.938804
"1249963"	629.060585	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Br"	78.918885
"1310222"	631.116572	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Cl+HCOOH"	80.974872
"1321520"	653.098529	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Cl+NaCOOH"	102.956829
"912331"	663.127286	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M-H+CF3COOH"	112.985586
"1296584"	699.103964	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Cl+CF3COOH"	148.962264
"1371468"	515.129024	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H-2H2O"	-35.012676
"1394802"	533.139	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H-H2O"	-17.0027
"294854"	1101.290676	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+H"	1.007276
"688734"	1651.432376	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+H"	1.007276
"1362896"	551.148976	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H"	1.007276
"134688"	551.148976	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+2H"	2.014552
"575342"	826.219826	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+2H"	2.014552
"1040861"	276.078126	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2H"	2.014552
"212041"	367.768409333333	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+3H"	3.021828
"649414"	551.148976	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+3H"	3.021828
"1167541"	184.387842666667	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+3H"	3.021828
"433001"	1118.317223	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+NH4"	18.033823
"793995"	1668.458923	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+NH4"	18.033823
"1694702"	568.175523	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+NH4"	18.033823
"344084"	559.6622495	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+H+NH4"	19.041099
"736503"	834.7330995	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+H+NH4"	19.041099
"1489227"	284.5913995	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H+NH4"	19.041099
"403530"	1123.272618	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+Na"	22.989218
"767442"	1673.414318	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+Na"	22.989218
"1614084"	573.130918	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Na"	22.989218
"324847"	562.139947	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+H+Na"	23.996494
"720920"	837.210797	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+H+Na"	23.996494
"1475102"	287.069097	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H+Na"	23.996494
"1067959"	191.715156666667	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2H+Na"	25.00377
"1272550"	583.175186	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+CH3OH+H"	33.033486
"391531"	1139.246558	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+K"	38.963158
"753700"	1689.388258	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+K"	38.963158
"1553844"	589.104858	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+K"	38.963158
"310290"	570.126917	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+H+K"	39.970434
"700523"	845.197767	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+H+K"	39.970434
"1454341"	295.056067	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H+K"	39.970434
"242216"	1142.317226	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+ACN+H"	42.033826
"1221118"	592.175526	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+ACN+H"	42.033826
"1205003"	296.591401	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+ACN+2H"	43.041102
"199332"	1145.25456	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+2Na-H"	44.97116
"638163"	1695.39626	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+2Na-H"	44.97116
"1143125"	595.11286	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2Na-H"	44.97116
"183136"	573.130918	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+2Na"	45.978436
"621603"	848.201768	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+2Na"	45.978436
"1124017"	298.060068	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2Na"	45.978436
"1407540"	199.042470666667	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H+2Na"	46.985712
"1436008"	597.154446	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H+HCOOH"	47.012746
"223156"	578.16394	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+3H2O+2H"	56.04448
"1511951"	611.20649	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+IsoProp+H"	61.06479
"418564"	581.117888	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+Na+K"	61.952376
"781018"	856.188738	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+Na+K"	61.952376
"1673336"	306.047038	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Na+K"	61.952376
"260590"	1164.299168	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+ACN+Na"	64.015768
"1233660"	614.157468	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+ACN+Na"	64.015768
"1726198"	614.180993	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+NH4+HCOOH"	64.039293
"1191919"	206.369784666667	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+3Na"	68.967654
"1663879"	619.136388	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Na+HCOOH"	68.994688
"165762"	1177.20244	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+2K-H"	76.91904
"606412"	1727.34414	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+2K-H"	76.91904
"1093114"	627.06074	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2K-H"	76.91904
"152120"	589.104858	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"2M+2K"	77.926316
"589492"	864.175708	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"3M+2K"	77.926316
"1072910"	314.034008	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2K"	77.926316
"1102838"	629.075292	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2K+H"	78.933592
"1338494"	629.162907	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+DMSO+H"	79.021207
"1011034"	633.202076	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2ACN+H"	83.060376
"1528065"	634.195708	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+IsoProp+Na+H"	84.054008
"994512"	317.104676	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+2ACN+2H"	84.067652
"1589016"	635.110328	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+K+HCOOH"	84.968628
"1423426"	665.141838	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+H+CF3COOH"	115.000138
"1154806"	337.617951	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+3ACN+2H"	125.094202
"1698892"	682.168385	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+NH4+CF3COOH"	132.026685
"1634704"	687.12378	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+Na+CF3COOH"	136.98208
"1573475"	703.09772	"C11202"	"Cefclidin"	"C21H26N8O6S2"	"550.1417"	"M+K+CF3COOH"	152.95602
"808218"	515.0794	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M"	0
"981751"	496.06101	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-H2O-H"	-19.01839
"71089"	342.378990666667	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M-3H"	-3.021828
"511741"	514.072124	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M-3H"	-3.021828
"884076"	170.685857333333	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-3H"	-3.021828
"216"	514.072124	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M-2H"	-2.014552
"441115"	771.611824	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M-2H"	-2.014552
"818189"	256.532424	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-2H"	-2.014552
"79638"	1029.151524	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M-H"	-1.007276
"519318"	1544.230924	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M-H"	-1.007276
"896754"	514.072124	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-H"	-1.007276
"50645"	1046.178071	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M-2H+NH4"	16.019271
"491298"	1561.257471	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M-2H+NH4"	16.019271
"869100"	531.098671	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-2H+NH4"	16.019271
"37002"	1051.133466	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M-2H+Na"	20.974666
"475830"	1566.212866	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M-2H+Na"	20.974666
"855457"	536.054066	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-2H+Na"	20.974666
"1627182"	536.054066	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Na-2H"	20.974666
"99335"	532.060463	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M-H+Cl"	33.962126
"541088"	789.600163	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M-H+Cl"	33.962126
"938982"	274.520763	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-H+Cl"	33.962126
"278634"	1065.128202	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+Cl"	34.969402
"665588"	1580.207602	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+Cl"	34.969402
"1275803"	550.048802	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Cl"	34.969402
"19454"	1067.107406	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M-2H+K"	36.948606
"457312"	1582.186806	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M-2H+K"	36.948606
"833406"	552.028006	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-2H+K"	36.948606
"1555961"	552.028006	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+K-2H"	36.948606
"944901"	560.077594	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-H+HCOOH"	44.998194
"361519"	1075.157001	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+HCOOH-H"	44.998201
"345988"	1089.172651	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+Hac-H"	59.013851
"1494740"	574.093251	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Hac-H"	59.013851
"958795"	582.059551	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-H+NaCOOH"	66.980151
"110829"	550.048802	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+2Cl"	69.938804
"554039"	807.588502	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+2Cl"	69.938804
"1029401"	292.509102	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2Cl"	69.938804
"1250073"	593.998285	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Br"	78.918885
"1308146"	596.054272	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Cl+HCOOH"	80.974872
"1321994"	618.036229	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Cl+NaCOOH"	102.956829
"911957"	628.064986	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M-H+CF3COOH"	112.985586
"1295601"	664.041664	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Cl+CF3COOH"	148.962264
"1375952"	480.066724	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H-2H2O"	-35.012676
"1394547"	498.0767	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H-H2O"	-17.0027
"294599"	1031.166076	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+H"	1.007276
"688480"	1546.245476	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+H"	1.007276
"1362642"	516.086676	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H"	1.007276
"133706"	516.086676	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+2H"	2.014552
"574724"	773.626376	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+2H"	2.014552
"1041699"	258.546976	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2H"	2.014552
"212151"	344.393542666667	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+3H"	3.021828
"648066"	516.086676	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+3H"	3.021828
"1164734"	172.700409333333	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+3H"	3.021828
"427277"	1048.192623	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+NH4"	18.033823
"789000"	1563.272023	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+NH4"	18.033823
"1688251"	533.113223	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+NH4"	18.033823
"343100"	524.5999495	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+H+NH4"	19.041099
"736977"	782.1396495	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+H+NH4"	19.041099
"1490795"	267.0602495	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H+NH4"	19.041099
"403640"	1053.148018	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+Na"	22.989218
"762448"	1568.227418	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+Na"	22.989218
"1613828"	538.068618	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Na"	22.989218
"323864"	527.077647	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+H+Na"	23.996494
"718478"	784.617347	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+H+Na"	23.996494
"1473388"	269.537947	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H+Na"	23.996494
"1066646"	180.027723333333	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2H+Na"	25.00377
"1269414"	548.112886	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+CH3OH+H"	33.033486
"392372"	1069.121958	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+K"	38.963158
"754057"	1584.201358	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+K"	38.963158
"1555256"	554.042558	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+K"	38.963158
"310400"	535.064617	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+H+K"	39.970434
"696259"	792.604317	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+H+K"	39.970434
"1453357"	277.524917	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H+K"	39.970434
"244147"	1072.192626	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+ACN+H"	42.033826
"1217948"	557.113226	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+ACN+H"	42.033826
"1202925"	279.060251	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+ACN+2H"	43.041102
"194702"	1075.12996	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+2Na-H"	44.97116
"637544"	1590.20936	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+2Na-H"	44.97116
"1139955"	560.05056	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2Na-H"	44.97116
"181059"	538.068618	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+2Na"	45.978436
"621712"	795.608318	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+2Na"	45.978436
"1124126"	280.528918	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2Na"	45.978436
"1405463"	187.355037333333	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H+2Na"	46.985712
"1435390"	562.092146	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H+HCOOH"	47.012746
"222903"	543.10164	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+3H2O+2H"	56.04448
"1513154"	576.14419	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+IsoProp+H"	61.06479
"418309"	546.055588	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+Na+K"	61.952376
"774929"	803.595288	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+Na+K"	61.952376
"1669068"	288.515888	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Na+K"	61.952376
"256688"	1094.174568	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+ACN+Na"	64.015768
"1231583"	579.095168	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+ACN+Na"	64.015768
"1723387"	579.118693	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+NH4+HCOOH"	64.039293
"1191665"	194.682351333333	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+3Na"	68.967654
"1663746"	584.074088	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Na+HCOOH"	68.994688
"165872"	1107.07784	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+2K-H"	76.91904
"606522"	1622.15724	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+2K-H"	76.91904
"1092131"	591.99844	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2K-H"	76.91904
"155510"	554.042558	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"2M+2K"	77.926316
"589602"	811.582258	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"3M+2K"	77.926316
"1073020"	296.502858	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2K"	77.926316
"1104042"	594.012992	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2K+H"	78.933592
"1339333"	594.100607	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+DMSO+H"	79.021207
"1010050"	598.139776	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2ACN+H"	83.060376
"1531455"	599.133408	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+IsoProp+Na+H"	84.054008
"996809"	299.573526	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+2ACN+2H"	84.067652
"1588032"	600.048028	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+K+HCOOH"	84.968628
"1415880"	630.079538	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+H+CF3COOH"	115.000138
"1148719"	320.086801	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+3ACN+2H"	125.094202
"1699002"	647.106085	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+NH4+CF3COOH"	132.026685
"1636841"	652.06148	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+Na+CF3COOH"	136.98208
"1572856"	668.03542	"C11203"	"Cefozopran;SCE 2787"	"C19H17N9O5S2"	"515.0794"	"M+K+CF3COOH"	152.95602
"808329"	344.1042	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M"	0
"981861"	325.08581	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-H2O-H"	-19.01839
"74479"	228.395524	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M-3H"	-3.021828
"510758"	343.096924	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M-3H"	-3.021828
"886371"	113.694124	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-3H"	-3.021828
"3855"	343.096924	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M-2H"	-2.014552
"444504"	515.149024	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M-2H"	-2.014552
"821213"	171.044824	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-2H"	-2.014552
"82299"	687.201124	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M-H"	-1.007276
"522952"	1031.305324	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M-H"	-1.007276
"901848"	343.096924	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-H"	-1.007276
"54034"	704.227671	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M-2H+NH4"	16.019271
"493594"	1048.331871	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M-2H+NH4"	16.019271
"872493"	360.123471	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-2H+NH4"	16.019271
"37111"	709.183066	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M-2H+Na"	20.974666
"478862"	1053.287266	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M-2H+Na"	20.974666
"858854"	365.078866	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-2H+Na"	20.974666
"1626199"	365.078866	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Na-2H"	20.974666
"103823"	361.085263	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M-H+Cl"	33.962126
"549225"	533.137363	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M-H+Cl"	33.962126
"941281"	189.033163	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-H+Cl"	33.962126
"272183"	723.177802	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+Cl"	34.969402
"663510"	1067.282002	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+Cl"	34.969402
"1282478"	379.073602	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Cl"	34.969402
"22847"	725.157006	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M-2H+K"	36.948606
"458030"	1069.261206	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M-2H+K"	36.948606
"835833"	381.052806	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-2H+K"	36.948606
"1556039"	381.052806	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+K-2H"	36.948606
"946110"	389.102394	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-H+HCOOH"	44.998194
"362502"	733.206601	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+HCOOH-H"	44.998201
"346135"	747.222251	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+Hac-H"	59.013851
"1493269"	403.118051	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Hac-H"	59.013851
"964588"	411.084351	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-H+NaCOOH"	66.980151
"120057"	379.073602	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+2Cl"	69.938804
"562900"	551.125702	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+2Cl"	69.938804
"1032793"	207.021502	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2Cl"	69.938804
"1247996"	423.023085	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Br"	78.918885
"1307163"	425.079072	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Cl+HCOOH"	80.974872
"1322839"	447.061029	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Cl+NaCOOH"	102.956829
"912438"	457.089786	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M-H+CF3COOH"	112.985586
"1296804"	493.066464	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Cl+CF3COOH"	148.962264
"1376063"	309.091524	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H-2H2O"	-35.012676
"1392102"	327.1015	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H-H2O"	-17.0027
"293249"	689.215676	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+H"	1.007276
"684943"	1033.319876	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+H"	1.007276
"1365667"	345.111476	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H"	1.007276
"135273"	345.111476	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+2H"	2.014552
"575199"	517.163576	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+2H"	2.014552
"1044362"	173.059376	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2H"	2.014552
"212263"	230.410076	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+3H"	3.021828
"647813"	345.111476	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+3H"	3.021828
"1163752"	115.708676	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+3H"	3.021828
"431035"	706.242223	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+NH4"	18.033823
"792032"	1050.346423	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+NH4"	18.033823
"1694932"	362.138023	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+NH4"	18.033823
"345035"	353.6247495	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+H+NH4"	19.041099
"736724"	525.6768495	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+H+NH4"	19.041099
"1487262"	181.5726495	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H+NH4"	19.041099
"405939"	711.197618	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+Na"	22.989218
"768276"	1055.301818	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+Na"	22.989218
"1610661"	367.093418	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Na"	22.989218
"328357"	356.102447	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+H+Na"	23.996494
"718587"	528.154547	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+H+Na"	23.996494
"1476800"	184.050347	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H+Na"	23.996494
"1066757"	123.03599	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2H+Na"	25.00377
"1272202"	377.137686	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+CH3OH+H"	33.033486
"392357"	727.171558	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+K"	38.963158
"754042"	1071.275758	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+K"	38.963158
"1555545"	383.067358	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+K"	38.963158
"312698"	364.089417	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+H+K"	39.970434
"698557"	536.141517	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+H+K"	39.970434
"1450192"	192.037317	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H+K"	39.970434
"240978"	730.242226	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+ACN+H"	42.033826
"1215872"	386.138026	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+ACN+H"	42.033826
"1198660"	193.572651	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+ACN+2H"	43.041102
"193721"	733.17956	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+2Na-H"	44.97116
"631823"	1077.28376	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+2Na-H"	44.97116
"1137880"	389.07536	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2Na-H"	44.97116
"178982"	367.093418	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+2Na"	45.978436
"620730"	539.145518	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+2Na"	45.978436
"1121681"	195.041318	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2Na"	45.978436
"1404841"	130.363304	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H+2Na"	46.985712
"1434407"	391.116946	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H+HCOOH"	47.012746
"223739"	372.12644	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+3H2O+2H"	56.04448
"1511074"	405.16899	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+IsoProp+H"	61.06479
"411856"	375.080388	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+Na+K"	61.952376
"773945"	547.132488	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+Na+K"	61.952376
"1669178"	203.028288	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Na+K"	61.952376
"255704"	752.224168	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+ACN+Na"	64.015768
"1232787"	408.119968	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+ACN+Na"	64.015768
"1726051"	408.143493	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+NH4+HCOOH"	64.039293
"1188861"	137.690618	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+3Na"	68.967654
"1660943"	413.098888	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Na+HCOOH"	68.994688
"165982"	765.12744	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+2K-H"	76.91904
"605542"	1109.23164	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+2K-H"	76.91904
"1094430"	421.02324	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2K-H"	76.91904
"155621"	383.067358	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"2M+2K"	77.926316
"589714"	555.119458	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"3M+2K"	77.926316
"1075319"	211.015258	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2K"	77.926316
"1103058"	423.037792	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2K+H"	78.933592
"1340538"	423.125407	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+DMSO+H"	79.021207
"1012348"	427.164576	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2ACN+H"	83.060376
"1532658"	428.158208	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+IsoProp+Na+H"	84.054008
"993639"	214.085926	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+2ACN+2H"	84.067652
"1589603"	429.072828	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+K+HCOOH"	84.968628
"1415262"	459.104338	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+H+CF3COOH"	115.000138
"1147368"	234.599201	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+3ACN+2H"	125.094202
"1703489"	476.130885	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+NH4+CF3COOH"	132.026685
"1640233"	481.08628	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+Na+CF3COOH"	136.98208
"1574062"	497.06022	"C11206"	"p-Methylaminophenol sulfate"	"(C7H9NO)2H2SO4"	"344.1042"	"M+K+CF3COOH"	152.95602
"808439"	253.1579	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M"	0
"981971"	234.13951	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-H2O-H"	-19.01839
"74589"	167.764657333333	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M-3H"	-3.021828
"510868"	252.150624	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M-3H"	-3.021828
"882473"	83.3786906666667	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-3H"	-3.021828
"1779"	252.150624	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M-2H"	-2.014552
"442428"	378.729574	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M-2H"	-2.014552
"820231"	125.571674	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-2H"	-2.014552
"82773"	505.308524	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M-H"	-1.007276
"525248"	758.466424	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M-H"	-1.007276
"899407"	252.150624	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-H"	-1.007276
"53780"	522.335071	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M-2H+NH4"	16.019271
"496985"	775.492971	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M-2H+NH4"	16.019271
"873694"	269.177171	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-2H+NH4"	16.019271
"37585"	527.290466	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M-2H+Na"	20.974666
"482252"	780.448366	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M-2H+Na"	20.974666
"855684"	274.132566	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-2H+Na"	20.974666
"1625216"	274.132566	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Na-2H"	20.974666
"100653"	270.138963	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M-H+Cl"	33.962126
"548848"	396.717913	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M-H+Cl"	33.962126
"937019"	143.560013	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-H+Cl"	33.962126
"275574"	541.285202	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+Cl"	34.969402
"663620"	794.443102	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+Cl"	34.969402
"1276028"	288.127302	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Cl"	34.969402
"20770"	543.264406	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M-2H+K"	36.948606
"456074"	796.422306	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M-2H+K"	36.948606
"833064"	290.106506	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-2H+K"	36.948606
"1555901"	290.106506	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+K-2H"	36.948606
"943058"	298.156094	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-H+HCOOH"	44.998194
"362004"	551.314001	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+HCOOH-H"	44.998201
"346005"	565.329651	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+Hac-H"	59.013851
"1495330"	312.171751	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Hac-H"	59.013851
"965791"	320.138051	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-H+NaCOOH"	66.980151
"125521"	288.127302	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+2Cl"	69.938804
"558635"	414.706252	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+2Cl"	69.938804
"1029623"	161.548352	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2Cl"	69.938804
"1248106"	332.076785	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Br"	78.918885
"1310554"	334.132772	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Cl+HCOOH"	80.974872
"1321488"	356.114729	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Cl+NaCOOH"	102.956829
"911426"	366.143486	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M-H+CF3COOH"	112.985586
"1293634"	402.120164	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Cl+CF3COOH"	148.962264
"1381157"	218.145224	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H-2H2O"	-35.012676
"1395860"	236.1552	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H-H2O"	-17.0027
"294088"	507.323076	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+H"	1.007276
"684689"	760.480976	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+H"	1.007276
"1365413"	254.165176	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H"	1.007276
"135386"	254.165176	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+2H"	2.014552
"574581"	380.744126	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+2H"	2.014552
"1044472"	127.586226	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2H"	2.014552
"208000"	169.779209333333	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+3H"	3.021828
"649747"	254.165176	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+3H"	3.021828
"1164590"	85.3932426666667	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+3H"	3.021828
"428958"	524.349623	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+NH4"	18.033823
"797247"	777.507523	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+NH4"	18.033823
"1695042"	271.191723	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+NH4"	18.033823
"341866"	262.6784495	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+H+NH4"	19.041099
"735377"	389.2573995	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+H+NH4"	19.041099
"1488465"	136.0994995	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H+NH4"	19.041099
"405321"	529.305018	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+Na"	22.989218
"763768"	782.462918	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+Na"	22.989218
"1610769"	276.147118	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Na"	22.989218
"325188"	265.156147	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+H+Na"	23.996494
"715418"	391.735097	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+H+Na"	23.996494
"1476786"	138.577197	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H+Na"	23.996494
"1066501"	92.7205566666667	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2H+Na"	25.00377
"1272188"	286.191386	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+CH3OH+H"	33.033486
"387481"	545.278958	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+K"	38.963158
"754205"	798.436858	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+K"	38.963158
"1555460"	292.121058	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+K"	38.963158
"312808"	273.143117	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+H+K"	39.970434
"698667"	399.722067	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+H+K"	39.970434
"1452488"	146.564167	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H+K"	39.970434
"243274"	548.349626	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+ACN+H"	42.033826
"1213795"	295.191726	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+ACN+H"	42.033826
"1196949"	148.099501	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+ACN+2H"	43.041102
"194195"	551.28696	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+2Na-H"	44.97116
"634485"	804.44486	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+2Na-H"	44.97116
"1140177"	298.12906	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2Na-H"	44.97116
"180185"	276.147118	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+2Na"	45.978436
"624850"	402.726068	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+2Na"	45.978436
"1123251"	149.568168	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2Na"	45.978436
"1405680"	100.047870666667	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H+2Na"	46.985712
"1434881"	300.170646	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H+HCOOH"	47.012746
"222756"	281.18014	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+3H2O+2H"	56.04448
"1511183"	314.22269	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+IsoProp+H"	61.06479
"410873"	284.134088	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+Na+K"	61.952376
"774055"	410.713038	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+Na+K"	61.952376
"1668558"	157.555138	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Na+K"	61.952376
"255814"	570.331568	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+ACN+Na"	64.015768
"1232898"	317.173668	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+ACN+Na"	64.015768
"1725676"	317.197193	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+NH4+HCOOH"	64.039293
"1191885"	107.375184666667	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+3Na"	68.967654
"1658131"	322.152588	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Na+HCOOH"	68.994688
"167185"	583.23484	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+2K-H"	76.91904
"607839"	836.39274	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+2K-H"	76.91904
"1094541"	330.07694	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2K-H"	76.91904
"155731"	292.121058	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"2M+2K"	77.926316
"589824"	418.700008	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"3M+2K"	77.926316
"1073242"	165.542108	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2K"	77.926316
"1103168"	332.091492	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2K+H"	78.933592
"1341741"	332.179107	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+DMSO+H"	79.021207
"1014644"	336.218276	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2ACN+H"	83.060376
"1532768"	337.211908	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+IsoProp+Na+H"	84.054008
"994843"	168.612776	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+2ACN+2H"	84.067652
"1588255"	338.126528	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+K+HCOOH"	84.968628
"1418287"	368.158038	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+H+CF3COOH"	115.000138
"1147079"	189.126051	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+3ACN+2H"	125.094202
"1704692"	385.184585	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+NH4+CF3COOH"	132.026685
"1639250"	390.13998	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+Na+CF3COOH"	136.98208
"1575265"	406.11392	"C11207"	"Fenapanil;Phenapronil;Sisthane"	"C16H19N3"	"253.1579"	"M+K+CF3COOH"	152.95602
"808549"	329.0334	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M"	0
"980988"	310.01501	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-H2O-H"	-19.01839
"74699"	218.348324	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M-3H"	-3.021828
"510978"	328.026124	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M-3H"	-3.021828
"881125"	108.670524	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-3H"	-3.021828
"1889"	328.026124	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M-2H"	-2.014552
"441082"	492.542824	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M-2H"	-2.014552
"819248"	163.509424	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-2H"	-2.014552
"82520"	657.059524	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M-H"	-1.007276
"526452"	986.092924	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M-H"	-1.007276
"900975"	328.026124	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-H"	-1.007276
"55349"	674.086071	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M-2H+NH4"	16.019271
"497095"	1003.119471	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M-2H+NH4"	16.019271
"873805"	345.052671	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-2H+NH4"	16.019271
"38424"	679.041466	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M-2H+Na"	20.974666
"480176"	1008.074866	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M-2H+Na"	20.974666
"857981"	350.008066	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-2H+Na"	20.974666
"1625326"	350.008066	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Na-2H"	20.974666
"105138"	346.014463	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M-H+Cl"	33.962126
"536313"	510.531163	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M-H+Cl"	33.962126
"927396"	181.497763	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-H+Cl"	33.962126
"275683"	693.036202	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+Cl"	34.969402
"661661"	1022.069602	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+Cl"	34.969402
"1276136"	364.002802	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Cl"	34.969402
"16136"	695.015406	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M-2H+K"	36.948606
"456059"	1024.048806	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M-2H+K"	36.948606
"832970"	365.982006	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-2H+K"	36.948606
"1555972"	365.982006	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+K-2H"	36.948606
"943290"	374.031594	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-H+HCOOH"	44.998194
"361709"	703.065001	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+HCOOH-H"	44.998201
"346113"	717.080651	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+Hac-H"	59.013851
"1496169"	388.047251	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Hac-H"	59.013851
"965901"	396.013551	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-H+NaCOOH"	66.980151
"124653"	364.002802	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+2Cl"	69.938804
"557652"	528.519502	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+2Cl"	69.938804
"1029733"	199.486102	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2Cl"	69.938804
"1248216"	407.952285	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Br"	78.918885
"1308478"	410.008272	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Cl+HCOOH"	80.974872
"1322691"	431.990229	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Cl+NaCOOH"	102.956829
"912043"	442.018986	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M-H+CF3COOH"	112.985586
"1292651"	477.995664	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Cl+CF3COOH"	148.962264
"1381631"	294.020724	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H-2H2O"	-35.012676
"1397063"	312.0307	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H-H2O"	-17.0027
"293468"	659.074076	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+H"	1.007276
"686982"	988.107476	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+H"	1.007276
"1365523"	330.040676	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H"	1.007276
"136587"	330.040676	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+2H"	2.014552
"579430"	494.557376	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+2H"	2.014552
"1044582"	165.523976	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2H"	2.014552
"210294"	220.362876	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+3H"	3.021828
"647670"	330.040676	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+3H"	3.021828
"1165066"	110.685076	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+3H"	3.021828
"426881"	676.100623	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+NH4"	18.033823
"798815"	1005.134023	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+NH4"	18.033823
"1695760"	347.067223	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+NH4"	18.033823
"343794"	338.5539495	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+H+NH4"	19.041099
"734758"	503.0706495	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+H+NH4"	19.041099
"1488575"	174.0372495	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H+NH4"	19.041099
"405431"	681.056018	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+Na"	22.989218
"763878"	1010.089418	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+Na"	22.989218
"1610879"	352.022618	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Na"	22.989218
"325298"	341.031647	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+H+Na"	23.996494
"716621"	505.548347	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+H+Na"	23.996494
"1475193"	176.514947	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H+Na"	23.996494
"1064789"	118.01239	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2H+Na"	25.00377
"1269747"	362.066886	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+CH3OH+H"	33.033486
"386862"	697.029958	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+K"	38.963158
"748227"	1026.063358	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+K"	38.963158
"1553802"	367.996558	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+K"	38.963158
"312797"	349.018617	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+H+K"	39.970434
"697684"	513.535317	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+H+K"	39.970434
"1450411"	184.501917	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H+K"	39.970434
"242290"	700.100626	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+ACN+H"	42.033826
"1212446"	371.067226	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+ACN+H"	42.033826
"1199245"	186.037251	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+ACN+2H"	43.041102
"193940"	703.03796	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+2Na-H"	44.97116
"634595"	1032.07136	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+2Na-H"	44.97116
"1139194"	374.00456	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2Na-H"	44.97116
"179203"	352.022618	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+2Na"	45.978436
"619857"	516.539318	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+2Na"	45.978436
"1121174"	187.505918	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2Na"	45.978436
"1402145"	125.339704	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H+2Na"	46.985712
"1434262"	376.046146	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H+HCOOH"	47.012746
"222502"	357.05564	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+3H2O+2H"	56.04448
"1510930"	390.09819	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+IsoProp+H"	61.06479
"411347"	360.009588	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+Na+K"	61.952376
"775259"	524.526288	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+Na+K"	61.952376
"1668669"	195.492888	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Na+K"	61.952376
"253737"	722.082568	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+ACN+Na"	64.015768
"1231915"	393.049168	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+ACN+Na"	64.015768
"1717523"	393.072693	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+NH4+HCOOH"	64.039293
"1191995"	132.667018	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+3Na"	68.967654
"1656055"	398.028088	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Na+HCOOH"	68.994688
"169482"	734.98584	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+2K-H"	76.91904
"605764"	1064.01924	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+2K-H"	76.91904
"1096840"	405.95244	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2K-H"	76.91904
"154748"	367.996558	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"2M+2K"	77.926316
"589934"	532.513258	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"3M+2K"	77.926316
"1072259"	203.479858	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2K"	77.926316
"1102186"	407.966992	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2K+H"	78.933592
"1344038"	408.054607	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+DMSO+H"	79.021207
"1014754"	412.093776	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2ACN+H"	83.060376
"1531786"	413.087408	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+IsoProp+Na+H"	84.054008
"997140"	206.550526	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+2ACN+2H"	84.067652
"1590552"	414.002028	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+K+HCOOH"	84.968628
"1418397"	444.033538	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+H+CF3COOH"	115.000138
"1148686"	227.063801	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+3ACN+2H"	125.094202
"1702615"	461.060085	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+NH4+CF3COOH"	132.026685
"1638266"	466.01548	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+Na+CF3COOH"	136.98208
"1573918"	481.98942	"C11208"	"Iprodione;Rovrol;Rovral"	"C13H13Cl2N3O3"	"329.0334"	"M+K+CF3COOH"	152.95602
"808659"	522.1104	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M"	0
"982191"	503.09201	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-H2O-H"	-19.01839
"74809"	347.066324	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M-3H"	-3.021828
"512181"	521.103124	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M-3H"	-3.021828
"881599"	173.029524	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-3H"	-3.021828
"3092"	521.103124	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M-2H"	-2.014552
"444106"	782.158324	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M-2H"	-2.014552
"820453"	260.047924	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-2H"	-2.014552
"82265"	1043.213524	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M-H"	-1.007276
"526562"	1565.323924	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M-H"	-1.007276
"901085"	521.103124	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-H"	-1.007276
"55460"	1060.240071	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M-2H+NH4"	16.019271
"495019"	1582.350471	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M-2H+NH4"	16.019271
"873916"	538.129671	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-2H+NH4"	16.019271
"39629"	1065.195466	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M-2H+Na"	20.974666
"481379"	1587.305866	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M-2H+Na"	20.974666
"856998"	543.085066	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-2H+Na"	20.974666
"1627623"	543.085066	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Na-2H"	20.974666
"106341"	539.091463	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M-H+Cl"	33.962126
"537152"	800.146663	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M-H+Cl"	33.962126
"928238"	278.036263	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-H+Cl"	33.962126
"275793"	1079.190202	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+Cl"	34.969402
"661408"	1601.300602	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+Cl"	34.969402
"1275152"	557.079802	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Cl"	34.969402
"16732"	1081.169406	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M-2H+K"	36.948606
"456534"	1603.279806	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M-2H+K"	36.948606
"833079"	559.059006	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-2H+K"	36.948606
"1556120"	559.059006	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+K-2H"	36.948606
"943153"	567.108594	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-H+HCOOH"	44.998194
"363560"	1089.219001	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+HCOOH-H"	44.998201
"348171"	1103.234651	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+Hac-H"	59.013851
"1495182"	581.124251	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Hac-H"	59.013851
"966011"	589.090551	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-H+NaCOOH"	66.980151
"114188"	557.079802	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+2Cl"	69.938804
"558855"	818.135002	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+2Cl"	69.938804
"1028750"	296.024602	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2Cl"	69.938804
"1247233"	601.029285	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Br"	78.918885
"1308223"	603.085272	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Cl+HCOOH"	80.974872
"1321708"	625.067229	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Cl+NaCOOH"	102.956829
"912275"	635.095986	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M-H+CF3COOH"	112.985586
"1292761"	671.072664	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Cl+CF3COOH"	148.962264
"1381862"	487.097724	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H-2H2O"	-35.012676
"1397173"	505.1077	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H-H2O"	-17.0027
"293578"	1045.228076	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+H"	1.007276
"686728"	1567.338476	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+H"	1.007276
"1363809"	523.117676	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H"	1.007276
"134145"	523.117676	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+2H"	2.014552
"576988"	784.172876	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+2H"	2.014552
"1045421"	262.062476	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2H"	2.014552
"206031"	349.080876	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+3H"	3.021828
"647050"	523.117676	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+3H"	3.021828
"1165175"	175.044076	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+3H"	3.021828
"425895"	1062.254623	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+NH4"	18.033823
"793457"	1584.365023	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+NH4"	18.033823
"1695261"	540.144223	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+NH4"	18.033823
"344997"	531.6309495	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+H+NH4"	19.041099
"737054"	792.6861495	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+H+NH4"	19.041099
"1487590"	270.5757495	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H+NH4"	19.041099
"404082"	1067.210018	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+Na"	22.989218
"762895"	1589.320418	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+Na"	22.989218
"1610989"	545.099618	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Na"	22.989218
"328444"	534.108647	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+H+Na"	23.996494
"718917"	795.163847	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+H+Na"	23.996494
"1475787"	273.053447	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H+Na"	23.996494
"1065993"	182.37139	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2H+Na"	25.00377
"1268764"	555.143886	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+CH3OH+H"	33.033486
"387336"	1083.183958	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+K"	38.963158
"751616"	1605.294358	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+K"	38.963158
"1554030"	561.073558	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+K"	38.963158
"313392"	542.095617	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+H+K"	39.970434
"697794"	803.150817	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+H+K"	39.970434
"1448698"	281.040417	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H+K"	39.970434
"241306"	1086.254626	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+ACN+H"	42.033826
"1213285"	564.144226	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+ACN+H"	42.033826
"1196805"	282.575751	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+ACN+2H"	43.041102
"191863"	1089.19196	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+2Na-H"	44.97116
"634705"	1611.30236	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+2Na-H"	44.97116
"1139304"	567.08156	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2Na-H"	44.97116
"177127"	545.099618	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+2Na"	45.978436
"621059"	806.154818	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+2Na"	45.978436
"1120190"	284.044418	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2Na"	45.978436
"1401889"	189.698704	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H+2Na"	46.985712
"1432915"	569.123146	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H+HCOOH"	47.012746
"222249"	550.13264	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+3H2O+2H"	56.04448
"1510676"	583.17519	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+IsoProp+H"	61.06479
"410363"	553.086588	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+Na+K"	61.952376
"775369"	814.141788	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+Na+K"	61.952376
"1668053"	292.031388	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Na+K"	61.952376
"254211"	1108.236568	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+ACN+Na"	64.015768
"1230931"	586.126168	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+ACN+Na"	64.015768
"1715444"	586.149693	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+NH4+HCOOH"	64.039293
"1183356"	197.026018	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+3Na"	68.967654
"1656164"	591.105088	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Na+HCOOH"	68.994688
"167404"	1121.13984	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+2K-H"	76.91904
"605874"	1643.25024	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+2K-H"	76.91904
"1099264"	599.02944	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2K-H"	76.91904
"155951"	561.073558	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"2M+2K"	77.926316
"591137"	822.128758	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"3M+2K"	77.926316
"1072369"	300.018358	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2K"	77.926316
"1104483"	601.043992	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2K+H"	78.933592
"1344148"	601.131607	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+DMSO+H"	79.021207
"1011583"	605.170776	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2ACN+H"	83.060376
"1534082"	606.164408	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+IsoProp+Na+H"	84.054008
"997250"	303.089026	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+2ACN+2H"	84.067652
"1591755"	607.079028	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+K+HCOOH"	84.968628
"1421787"	637.110538	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+H+CF3COOH"	115.000138
"1148066"	323.602301	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+3ACN+2H"	125.094202
"1699445"	654.137085	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+NH4+CF3COOH"	132.026685
"1636189"	659.09248	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+Na+CF3COOH"	136.98208
"1575121"	675.06642	"C11210"	"Cefoselis"	"C19H22N8O6S2"	"522.1104"	"M+K+CF3COOH"	152.95602
"816064"	509.1443	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M"	0
"979026"	490.12591	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-H2O-H"	-19.01839
"74920"	338.422257333333	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M-3H"	-3.021828
"510106"	508.137024	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M-3H"	-3.021828
"883533"	168.707490666667	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-3H"	-3.021828
"5390"	508.137024	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M-2H"	-2.014552
"443855"	762.709174	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M-2H"	-2.014552
"824937"	253.564874	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-2H"	-2.014552
"83835"	1017.281324	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M-H"	-1.007276
"524487"	1526.425624	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M-H"	-1.007276
"903382"	508.137024	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-H"	-1.007276
"55570"	1034.307871	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M-2H+NH4"	16.019271
"497315"	1543.452171	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M-2H+NH4"	16.019271
"874024"	525.163571	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-2H+NH4"	16.019271
"40832"	1039.263266	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M-2H+Na"	20.974666
"479302"	1548.407566	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M-2H+Na"	20.974666
"860388"	530.118966	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-2H+Na"	20.974666
"1626639"	530.118966	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Na-2H"	20.974666
"103172"	526.125363	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M-H+Cl"	33.962126
"539448"	780.697513	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M-H+Cl"	33.962126
"930051"	271.553213	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-H+Cl"	33.962126
"273716"	1053.258002	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+Cl"	34.969402
"664314"	1562.402302	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+Cl"	34.969402
"1275624"	544.113702	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Cl"	34.969402
"17451"	1055.237206	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M-2H+K"	36.948606
"457376"	1564.381506	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M-2H+K"	36.948606
"833955"	546.092906	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-2H+K"	36.948606
"1557206"	546.092906	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+K-2H"	36.948606
"943504"	554.142494	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-H+HCOOH"	44.998194
"364035"	1063.286801	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+HCOOH-H"	44.998201
"347553"	1077.302451	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+Hac-H"	59.013851
"1496387"	568.158151	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Hac-H"	59.013851
"963205"	576.124451	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-H+NaCOOH"	66.980151
"115029"	544.113702	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+2Cl"	69.938804
"564433"	798.685852	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+2Cl"	69.938804
"1033233"	289.541552	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2Cl"	69.938804
"1247707"	588.063185	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Br"	78.918885
"1308333"	590.119172	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Cl+HCOOH"	80.974872
"1322182"	612.101129	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Cl+NaCOOH"	102.956829
"915066"	622.129886	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M-H+CF3COOH"	112.985586
"1297247"	658.106564	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Cl+CF3COOH"	148.962264
"1379786"	474.131624	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H-2H2O"	-35.012676
"1397283"	492.1416	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H-H2O"	-17.0027
"293691"	1019.295876	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+H"	1.007276
"689028"	1528.440176	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+H"	1.007276
"1359908"	510.151576	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H"	1.007276
"135349"	510.151576	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+2H"	2.014552
"578556"	764.723726	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+2H"	2.014552
"1044802"	255.579426	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2H"	2.014552
"207234"	340.436809333333	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+3H"	3.021828
"646796"	510.151576	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+3H"	3.021828
"1163827"	170.722042666667	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+3H"	3.021828
"427099"	1036.322423	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+NH4"	18.033823
"789188"	1545.466723	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+NH4"	18.033823
"1694642"	527.178123	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+NH4"	18.033823
"341462"	518.6648495	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+H+NH4"	19.041099
"736797"	773.2369995	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+H+NH4"	19.041099
"1484420"	264.0926995	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H+NH4"	19.041099
"400912"	1041.277818	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+Na"	22.989218
"764097"	1550.422118	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+Na"	22.989218
"1611099"	532.133518	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Na"	22.989218
"328796"	521.142547	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+H+Na"	23.996494
"717934"	775.714697	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+H+Na"	23.996494
"1476398"	266.570397	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H+Na"	23.996494
"1068254"	178.049356666667	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2H+Na"	25.00377
"1269970"	542.177786	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+CH3OH+H"	33.033486
"391457"	1057.251758	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+K"	38.963158
"753549"	1566.396058	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+K"	38.963158
"1554504"	548.107458	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+K"	38.963158
"310951"	529.129517	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+H+K"	39.970434
"702279"	783.701667	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+H+K"	39.970434
"1449537"	274.557367	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H+K"	39.970434
"240324"	1060.322426	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+ACN+H"	42.033826
"1214124"	551.178126	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+ACN+H"	42.033826
"1198008"	276.092701	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+ACN+2H"	43.041102
"193066"	1063.25976	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+2Na-H"	44.97116
"635908"	1572.40406	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+2Na-H"	44.97116
"1138321"	554.11546	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2Na-H"	44.97116
"178331"	532.133518	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+2Na"	45.978436
"618983"	786.705668	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+2Na"	45.978436
"1119573"	277.561368	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2Na"	45.978436
"1403823"	185.376670666667	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H+2Na"	46.985712
"1432665"	556.157046	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H+HCOOH"	47.012746
"223820"	537.16654	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+3H2O+2H"	56.04448
"1520267"	570.20909	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+IsoProp+H"	61.06479
"413393"	540.120488	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+Na+K"	61.952376
"773293"	794.692638	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+Na+K"	61.952376
"1667068"	285.548338	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Na+K"	61.952376
"252256"	1082.304368	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+ACN+Na"	64.015768
"1237604"	573.160068	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+ACN+Na"	64.015768
"1723214"	573.183593	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+NH4+HCOOH"	64.039293
"1190752"	192.703984666667	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+3Na"	68.967654
"1655179"	578.138988	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Na+HCOOH"	68.994688
"167514"	1095.20764	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+2K-H"	76.91904
"605984"	1604.35194	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+2K-H"	76.91904
"1099370"	586.06334	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2K-H"	76.91904
"152781"	548.107458	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"2M+2K"	77.926316
"590154"	802.679608	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"3M+2K"	77.926316
"1072479"	293.535308	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2K"	77.926316
"1104593"	588.077892	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2K+H"	78.933592
"1346444"	588.165507	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+DMSO+H"	79.021207
"1013880"	592.204676	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2ACN+H"	83.060376
"1537473"	593.198308	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+IsoProp+Na+H"	84.054008
"996266"	296.605976	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+2ACN+2H"	84.067652
"1590772"	594.112928	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+K+HCOOH"	84.968628
"1421897"	624.144438	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+H+CF3COOH"	115.000138
"1149999"	317.119251	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+3ACN+2H"	125.094202
"1700647"	641.170985	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+NH4+CF3COOH"	132.026685
"1636299"	646.12638	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+Na+CF3COOH"	136.98208
"1573043"	662.10032	"C11212"	"NIK250"	"C26H27N3O4S2"	"509.1443"	"M+K+CF3COOH"	152.95602
"816170"	1213.8414	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M"	0
"985693"	1194.82301	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-H2O-H"	-19.01839
"71750"	808.220324	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M-3H"	-3.021828
"510216"	1212.834124	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M-3H"	-3.021828
"883642"	403.606524	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-3H"	-3.021828
"5500"	1212.834124	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M-2H"	-2.014552
"441170"	1819.754824	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M-2H"	-2.014552
"821767"	605.913424	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-2H"	-2.014552
"82850"	2426.675524	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M-H"	-1.007276
"525689"	3640.516924	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M-H"	-1.007276
"901307"	1212.834124	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-H"	-1.007276
"55680"	2443.702071	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M-2H+NH4"	16.019271
"496332"	3657.543471	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M-2H+NH4"	16.019271
"873041"	1229.860671	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-2H+NH4"	16.019271
"42035"	2448.657466	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M-2H+Na"	20.974666
"477225"	3662.498866	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M-2H+Na"	20.974666
"860498"	1234.816066	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-2H+Na"	20.974666
"1626749"	1234.816066	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Na-2H"	20.974666
"104375"	1230.822463	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M-H+Cl"	33.962126
"538825"	1837.743163	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M-H+Cl"	33.962126
"929798"	623.901763	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-H+Cl"	33.962126
"268721"	2462.652202	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+Cl"	34.969402
"662966"	3676.493602	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+Cl"	34.969402
"1275370"	1248.810802	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Cl"	34.969402
"17926"	2464.631406	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M-2H+K"	36.948606
"457851"	3678.472806	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M-2H+K"	36.948606
"833460"	1250.790006	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-2H+K"	36.948606
"1556095"	1250.790006	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+K-2H"	36.948606
"943129"	1258.839594	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-H+HCOOH"	44.998194
"363780"	2472.681001	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+HCOOH-H"	44.998201
"346323"	2486.696651	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+Hac-H"	59.013851
"1495768"	1272.855251	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Hac-H"	59.013851
"964408"	1280.821551	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-H+NaCOOH"	66.980151
"111854"	1248.810802	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+2Cl"	69.938804
"557982"	1855.731502	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+2Cl"	69.938804
"1024228"	641.890102	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2Cl"	69.938804
"1247817"	1292.760285	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Br"	78.918885
"1308443"	1294.816272	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Cl+HCOOH"	80.974872
"1320591"	1316.798229	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Cl+NaCOOH"	102.956829
"913354"	1326.826986	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M-H+CF3COOH"	112.985586
"1298450"	1362.803664	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Cl+CF3COOH"	148.962264
"1377705"	1178.828724	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H-2H2O"	-35.012676
"1397637"	1196.8387	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H-H2O"	-17.0027
"296717"	2428.690076	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+H"	1.007276
"689504"	3642.531476	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+H"	1.007276
"1360018"	1214.848676	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H"	1.007276
"135095"	1214.848676	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+2H"	2.014552
"579759"	1821.769376	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+2H"	2.014552
"1047464"	607.927976	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2H"	2.014552
"207345"	810.234876	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+3H"	3.021828
"647999"	1214.848676	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+3H"	3.021828
"1166124"	405.621076	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+3H"	3.021828
"429395"	2445.716623	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+NH4"	18.033823
"791484"	3659.558023	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+NH4"	18.033823
"1692200"	1231.875223	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+NH4"	18.033823
"340478"	1223.3619495	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+H+NH4"	19.041099
"735812"	1830.2826495	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+H+NH4"	19.041099
"1486716"	616.4412495	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H+NH4"	19.041099
"399925"	2450.672018	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+Na"	22.989218
"756551"	3664.513418	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+Na"	22.989218
"1606835"	1236.830618	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Na"	22.989218
"326719"	1225.839647	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+H+Na"	23.996494
"720230"	1832.760347	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+H+Na"	23.996494
"1476909"	618.918947	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H+Na"	23.996494
"1066943"	412.94839	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2H+Na"	25.00377
"1270809"	1246.874886	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+CH3OH+H"	33.033486
"392620"	2466.645958	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+K"	38.963158
"751832"	3680.487358	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+K"	38.963158
"1553885"	1252.804558	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+K"	38.963158
"311060"	1233.826617	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+H+K"	39.970434
"695827"	1840.747317	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+H+K"	39.970434
"1446729"	626.905917	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H+K"	39.970434
"238246"	2469.716626	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+ACN+H"	42.033826
"1214233"	1255.875226	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+ACN+H"	42.033826
"1195323"	628.441251	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+ACN+2H"	43.041102
"192083"	2472.65396	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+2Na-H"	44.97116
"634925"	3686.49536	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+2Na-H"	44.97116
"1141712"	1258.81256	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2Na-H"	44.97116
"181722"	1236.830618	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+2Na"	45.978436
"615814"	1843.751318	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+2Na"	45.978436
"1117861"	629.909918	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2Na"	45.978436
"1401744"	420.275704	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H+2Na"	46.985712
"1433139"	1260.854146	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H+HCOOH"	47.012746
"224659"	1241.86364	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+3H2O+2H"	56.04448
"1520377"	1274.90619	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+IsoProp+H"	61.06479
"413503"	1244.817588	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+Na+K"	61.952376
"773404"	1851.738288	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+Na+K"	61.952376
"1667055"	637.896888	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Na+K"	61.952376
"252974"	2491.698568	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+ACN+Na"	64.015768
"1237714"	1277.857168	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+ACN+Na"	64.015768
"1724417"	1277.880693	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+NH4+HCOOH"	64.039293
"1187582"	427.603018	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+3Na"	68.967654
"1657476"	1282.836088	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Na+HCOOH"	68.994688
"161426"	2504.60184	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+2K-H"	76.91904
"609374"	3718.44324	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+2K-H"	76.91904
"1092794"	1290.76044	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2K-H"	76.91904
"150703"	1252.804558	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"2M+2K"	77.926316
"586982"	1859.725258	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"3M+2K"	77.926316
"1072589"	645.883858	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2K"	77.926316
"1107983"	1292.774992	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2K+H"	78.933592
"1346554"	1292.862607	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+DMSO+H"	79.021207
"1013990"	1296.901776	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2ACN+H"	83.060376
"1538313"	1297.895408	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+IsoProp+Na+H"	84.054008
"997469"	648.954526	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+2ACN+2H"	84.067652
"1590882"	1298.810028	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+K+HCOOH"	84.968628
"1418727"	1328.841538	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+H+CF3COOH"	115.000138
"1148650"	669.467801	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+3ACN+2H"	125.094202
"1700757"	1345.868085	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+NH4+CF3COOH"	132.026685
"1636409"	1350.82348	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+Na+CF3COOH"	136.98208
"1573153"	1366.79742	"C11213"	"SDZ PSC 833;Valspodar;3-Keto-bmt(1)-val(2)-cyclosporin A"	"C63H111N11O12"	"1213.8414"	"M+K+CF3COOH"	152.95602
"815309"	106.0313	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M"	0
"986899"	87.01291	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-H2O-H"	-19.01839
"69674"	69.6802573333333	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M-3H"	-3.021828
"505953"	105.024024	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M-3H"	-3.021828
"881566"	34.3364906666667	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-3H"	-3.021828
"2330"	105.024024	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M-2H"	-2.014552
"441159"	158.039674	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M-2H"	-2.014552
"819689"	52.008374	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-2H"	-2.014552
"81868"	211.055324	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M-H"	-1.007276
"523613"	317.086624	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M-H"	-1.007276
"901778"	105.024024	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-H"	-1.007276
"55790"	228.081871	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M-2H+NH4"	16.019271
"496442"	334.113171	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M-2H+NH4"	16.019271
"872058"	122.050571	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-2H+NH4"	16.019271
"36678"	233.037266	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M-2H+Na"	20.974666
"477335"	339.068566	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M-2H+Na"	20.974666
"856233"	127.005966	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-2H+Na"	20.974666
"1625766"	127.005966	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Na-2H"	20.974666
"103388"	123.012363	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M-H+Cl"	33.962126
"534805"	176.028013	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M-H+Cl"	33.962126
"928450"	69.996713	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-H+Cl"	33.962126
"270655"	247.032002	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+Cl"	34.969402
"661254"	353.063302	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+Cl"	34.969402
"1279855"	141.000702	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Cl"	34.969402
"18037"	249.011206	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M-2H+K"	36.948606
"457961"	355.042506	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M-2H+K"	36.948606
"833575"	142.979906	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-2H+K"	36.948606
"1557062"	142.979906	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+K-2H"	36.948606
"943118"	151.029494	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-H+HCOOH"	44.998194
"363891"	257.060801	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+HCOOH-H"	44.998201
"348869"	271.076451	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+Hac-H"	59.013851
"1495517"	165.045151	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Hac-H"	59.013851
"968528"	173.011451	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-H+NaCOOH"	66.980151
"116342"	141.000702	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+2Cl"	69.938804
"563561"	194.016352	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+2Cl"	69.938804
"1030171"	87.985052	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2Cl"	69.938804
"1248658"	184.950185	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Br"	78.918885
"1308918"	187.006172	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Cl+HCOOH"	80.974872
"1323497"	208.988129	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Cl+NaCOOH"	102.956829
"911720"	219.016886	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M-H+CF3COOH"	112.985586
"1298560"	254.993564	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Cl+CF3COOH"	148.962264
"1375629"	71.018624	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H-2H2O"	-35.012676
"1397989"	89.0286	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H-H2O"	-17.0027
"298043"	213.069876	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+H"	1.007276
"687060"	319.101176	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+H"	1.007276
"1360492"	107.038576	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H"	1.007276
"135205"	107.038576	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+2H"	2.014552
"579869"	160.054226	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+2H"	2.014552
"1047574"	54.022926	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2H"	2.014552
"208548"	71.6948093333333	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+3H"	3.021828
"649202"	107.038576	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+3H"	3.021828
"1165141"	36.3510426666667	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+3H"	3.021828
"427319"	230.096423	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+NH4"	18.033823
"789408"	336.127723	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+NH4"	18.033823
"1690116"	124.065123	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+NH4"	18.033823
"340585"	115.5518495	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+H+NH4"	19.041099
"730818"	168.5674995	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+H+NH4"	19.041099
"1483545"	62.5361995	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H+NH4"	19.041099
"400035"	235.051818	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+Na"	22.989218
"754835"	341.083118	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+Na"	22.989218
"1606943"	129.020518	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Na"	22.989218
"325735"	118.029547	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+H+Na"	23.996494
"715967"	171.045197	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+H+Na"	23.996494
"1476728"	65.013897	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H+Na"	23.996494
"1067417"	43.6783566666667	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2H+Na"	25.00377
"1269095"	139.064786	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+CH3OH+H"	33.033486
"391676"	251.025758	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+K"	38.963158
"751578"	357.057058	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+K"	38.963158
"1550714"	144.994458	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+K"	38.963158
"308983"	126.016517	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+H+K"	39.970434
"699217"	179.032167	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+H+K"	39.970434
"1447569"	73.000867	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H+K"	39.970434
"238355"	254.096426	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+ACN+H"	42.033826
"1213250"	148.065126	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+ACN+H"	42.033826
"1196039"	74.536201	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+ACN+2H"	43.041102
"192193"	257.03376	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+2Na-H"	44.97116
"635035"	363.06506	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+2Na-H"	44.97116
"1135262"	151.00246	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2Na-H"	44.97116
"177458"	129.020518	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+2Na"	45.978436
"617017"	182.036168	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+2Na"	45.978436
"1117243"	76.004868	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2Na"	45.978436
"1401489"	51.0056706666667	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H+2Na"	46.985712
"1431059"	153.044046	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H+HCOOH"	47.012746
"220755"	134.05354	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+3H2O+2H"	56.04448
"1517207"	167.09609	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+IsoProp+H"	61.06479
"412519"	137.007488	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+Na+K"	61.952376
"772421"	190.023138	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+Na+K"	61.952376
"1666563"	83.991838	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Na+K"	61.952376
"251663"	276.078368	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+ACN+Na"	64.015768
"1236731"	170.047068	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+ACN+Na"	64.015768
"1723433"	170.070593	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+NH4+HCOOH"	64.039293
"1184776"	58.3329846666667	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+3Na"	68.967654
"1656493"	175.025988	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Na+HCOOH"	68.994688
"167729"	288.98164	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+2K-H"	76.91904
"605102"	395.01294	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+2K-H"	76.91904
"1095091"	182.95034	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2K-H"	76.91904
"151906"	144.994458	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"2M+2K"	77.926316
"589279"	198.010108	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"3M+2K"	77.926316
"1073792"	91.978808	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2K"	77.926316
"1103719"	184.964892	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2K+H"	78.933592
"1340104"	185.052507	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+DMSO+H"	79.021207
"1014100"	189.091676	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2ACN+H"	83.060376
"1534411"	190.085308	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+IsoProp+Na+H"	84.054008
"997579"	95.049476	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+2ACN+2H"	84.067652
"1594271"	190.999928	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+K+HCOOH"	84.968628
"1418837"	221.031438	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+H+CF3COOH"	115.000138
"1148760"	115.562751	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+3ACN+2H"	125.094202
"1700867"	238.057985	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+NH4+CF3COOH"	132.026685
"1637612"	243.01338	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+Na+CF3COOH"	136.98208
"1575450"	258.98732	"C11214"	"Thiocarbohydrazide;13-Diamino-2-thiourea"	"CH6N4S"	"106.0313"	"M+K+CF3COOH"	152.95602
"815298"	138.9013	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M"	0
"987009"	119.88291	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-H2O-H"	-19.01839
"73066"	91.5935906666667	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M-3H"	-3.021828
"510438"	137.894024	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M-3H"	-3.021828
"888236"	45.2931573333333	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-3H"	-3.021828
"2440"	137.894024	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M-2H"	-2.014552
"444184"	207.344674	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M-2H"	-2.014552
"821986"	68.443374	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-2H"	-2.014552
"84163"	276.795324	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M-H"	-1.007276
"525911"	415.696624	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M-H"	-1.007276
"902618"	137.894024	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-H"	-1.007276
"59180"	293.821871	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M-2H+NH4"	16.019271
"496552"	432.723171	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M-2H+NH4"	16.019271
"873262"	154.920571	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-2H+NH4"	16.019271
"40072"	298.777266	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M-2H+Na"	20.974666
"476353"	437.678566	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M-2H+Na"	20.974666
"855251"	159.875966	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-2H+Na"	20.974666
"1623691"	159.875966	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Na-2H"	20.974666
"104592"	155.882363	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M-H+Cl"	33.962126
"535406"	225.333013	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M-H+Cl"	33.962126
"928560"	86.431713	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-H+Cl"	33.962126
"270766"	312.772002	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+Cl"	34.969402
"660550"	451.673302	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+Cl"	34.969402
"1279965"	173.870702	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Cl"	34.969402
"23616"	314.751206	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M-2H+K"	36.948606
"464269"	453.652506	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M-2H+K"	36.948606
"834780"	175.849906	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-2H+K"	36.948606
"1559360"	175.849906	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+K-2H"	36.948606
"945422"	183.899494	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-H+HCOOH"	44.998194
"366553"	322.800801	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+HCOOH-H"	44.998201
"354449"	336.816451	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+Hac-H"	59.013851
"1498179"	197.915151	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Hac-H"	59.013851
"966452"	205.881451	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-H+NaCOOH"	66.980151
"116452"	173.870702	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+2Cl"	69.938804
"564036"	243.321352	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+2Cl"	69.938804
"1033562"	104.420052	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2Cl"	69.938804
"1250226"	217.820185	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Br"	78.918885
"1312311"	219.876172	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Cl+HCOOH"	80.974872
"1325067"	241.858129	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Cl+NaCOOH"	102.956829
"911790"	251.886886	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M-H+CF3COOH"	112.985586
"1297577"	287.863564	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Cl+CF3COOH"	148.962264
"1373553"	103.888624	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H-2H2O"	-35.012676
"1393236"	121.8986	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H-H2O"	-17.0027
"298154"	278.809876	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+H"	1.007276
"687170"	417.711176	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+H"	1.007276
"1360602"	139.908576	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H"	1.007276
"135315"	139.908576	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+2H"	2.014552
"580830"	209.359226	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+2H"	2.014552
"1047684"	70.457926	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2H"	2.014552
"207929"	93.6081426666667	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+3H"	3.021828
"647126"	139.908576	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+3H"	3.021828
"1167437"	47.3077093333333	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+3H"	3.021828
"426336"	295.836423	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+NH4"	18.033823
"786723"	434.737723	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+NH4"	18.033823
"1690226"	156.935123	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+NH4"	18.033823
"339599"	148.4218495	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+H+NH4"	19.041099
"728739"	217.8724995	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+H+NH4"	19.041099
"1482562"	78.9711995	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H+NH4"	19.041099
"400145"	300.791818	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+Na"	22.989218
"756040"	439.693118	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+Na"	22.989218
"1604866"	161.890518	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Na"	22.989218
"325845"	150.899547	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+H+Na"	23.996494
"716076"	220.350197	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+H+Na"	23.996494
"1476592"	81.448897	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H+Na"	23.996494
"1067410"	54.6350233333333	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2H+Na"	25.00377
"1271395"	171.934786	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+CH3OH+H"	33.033486
"392274"	316.765758	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+K"	38.963158
"753516"	455.667058	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+K"	38.963158
"1553012"	177.864458	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+K"	38.963158
"310188"	158.886517	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+H+K"	39.970434
"700420"	228.337167	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+H+K"	39.970434
"1453146"	89.435867	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H+K"	39.970434
"241744"	319.836426	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+ACN+H"	42.033826
"1213724"	180.935126	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+ACN+H"	42.033826
"1197607"	90.971201	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+ACN+2H"	43.041102
"194489"	322.77376	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+2Na-H"	44.97116
"635144"	461.67506	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+2Na-H"	44.97116
"1136465"	183.87246	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2Na-H"	44.97116
"179754"	161.890518	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+2Na"	45.978436
"616034"	231.341168	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+2Na"	45.978436
"1119539"	92.439868	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2Na"	45.978436
"1401239"	61.9623373333333	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H+2Na"	46.985712
"1434090"	185.914046	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H+HCOOH"	47.012746
"226701"	166.92354	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+3H2O+2H"	56.04448
"1516223"	199.96609	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+IsoProp+H"	61.06479
"412629"	169.877488	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+Na+K"	61.952376
"777270"	239.328138	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+Na+K"	61.952376
"1667766"	100.426838	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Na+K"	61.952376
"252461"	341.818368	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+ACN+Na"	64.015768
"1235749"	202.917068	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+ACN+Na"	64.015768
"1725729"	202.940593	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+NH4+HCOOH"	64.039293
"1183425"	69.2896513333333	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+3Na"	68.967654
"1659882"	207.895988	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Na+HCOOH"	68.994688
"167839"	354.72164	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+2K-H"	76.91904
"606305"	493.62294	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+2K-H"	76.91904
"1095201"	215.82034	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2K-H"	76.91904
"152016"	177.864458	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"2M+2K"	77.926316
"587202"	247.315108	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"3M+2K"	77.926316
"1076089"	108.413808	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2K"	77.926316
"1102004"	217.834892	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2K+H"	78.933592
"1340213"	217.922507	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+DMSO+H"	79.021207
"1014210"	221.961676	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2ACN+H"	83.060376
"1534521"	222.955308	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+IsoProp+Na+H"	84.054008
"999876"	111.484476	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+2ACN+2H"	84.067652
"1594379"	223.869928	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+K+HCOOH"	84.968628
"1418946"	253.901438	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+H+CF3COOH"	115.000138
"1149236"	131.997751	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+3ACN+2H"	125.094202
"1697697"	270.927985	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+NH4+CF3COOH"	132.026685
"1636629"	275.88338	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+Na+CF3COOH"	136.98208
"1573375"	291.85732	"C11215"	"Arsenate ion;Arsenate"	"AsO4"	"138.9013"	"M+K+CF3COOH"	152.95602
"814677"	363.2807	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M"	0
"978368"	344.26231	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-H2O-H"	-19.01839
"73173"	241.179857333333	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M-3H"	-3.021828
"511638"	362.273424	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M-3H"	-3.021828
"881905"	120.086290666667	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-3H"	-3.021828
"8011"	362.273424	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M-2H"	-2.014552
"447571"	543.913774	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M-2H"	-2.014552
"828652"	180.633074	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-2H"	-2.014552
"90829"	725.554124	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M-H"	-1.007276
"530390"	1088.834824	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M-H"	-1.007276
"908193"	362.273424	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-H"	-1.007276
"59289"	742.580671	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M-2H+NH4"	16.019271
"498851"	1105.861371	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M-2H+NH4"	16.019271
"874465"	379.299971	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-2H+NH4"	16.019271
"41272"	747.536066	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M-2H+Na"	20.974666
"480834"	1110.816766	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M-2H+Na"	20.974666
"858635"	384.255366	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-2H+Na"	20.974666
"1625982"	384.255366	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Na-2H"	20.974666
"97043"	380.261763	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M-H+Cl"	33.962126
"537703"	561.902113	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M-H+Cl"	33.962126
"930129"	198.621413	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-H+Cl"	33.962126
"267713"	761.530802	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+Cl"	34.969402
"660616"	1124.811502	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+Cl"	34.969402
"1273383"	398.250102	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Cl"	34.969402
"16302"	763.510006	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M-2H+K"	36.948606
"455825"	1126.790706	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M-2H+K"	36.948606
"838898"	400.229306	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-2H+K"	36.948606
"1559105"	400.229306	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+K-2H"	36.948606
"945168"	408.278894	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-H+HCOOH"	44.998194
"366299"	771.559601	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+HCOOH-H"	44.998201
"354559"	785.575251	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+Hac-H"	59.013851
"1502297"	422.294551	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Hac-H"	59.013851
"960727"	430.260851	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-H+NaCOOH"	66.980151
"111818"	398.250102	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+2Cl"	69.938804
"552478"	579.890452	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+2Cl"	69.938804
"1023463"	216.609752	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2Cl"	69.938804
"1247055"	442.199585	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Br"	78.918885
"1309501"	444.255572	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Cl+HCOOH"	80.974872
"1321529"	466.237529	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Cl+NaCOOH"	102.956829
"912217"	476.266286	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M-H+CF3COOH"	112.985586
"1295500"	512.242964	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Cl+CF3COOH"	148.962264
"1373663"	328.268024	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H-2H2O"	-35.012676
"1390066"	346.278	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H-H2O"	-17.0027
"296682"	727.568676	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+H"	1.007276
"687280"	1090.849376	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+H"	1.007276
"1360712"	364.287976	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H"	1.007276
"135425"	364.287976	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+2H"	2.014552
"581148"	545.928326	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+2H"	2.014552
"1044878"	182.647626	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2H"	2.014552
"210954"	243.194409333333	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+3H"	3.021828
"646507"	364.287976	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+3H"	3.021828
"1165360"	122.100842666667	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+3H"	3.021828
"427538"	744.595223	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+NH4"	18.033823
"787805"	1107.875923	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+NH4"	18.033823
"1688150"	381.314523	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+NH4"	18.033823
"336430"	372.8012495	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+H+NH4"	19.041099
"729942"	554.4415995	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+H+NH4"	19.041099
"1479392"	191.1608995	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H+NH4"	19.041099
"398067"	749.550618	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+Na"	22.989218
"756879"	1112.831318	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+Na"	22.989218
"1606069"	386.269918	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Na"	22.989218
"319393"	375.278947	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+H+Na"	23.996494
"711082"	556.919297	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+H+Na"	23.996494
"1473664"	193.638597	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H+Na"	23.996494
"1066425"	129.428156666667	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2H+Na"	25.00377
"1270898"	396.314186	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+CH3OH+H"	33.033486
"391533"	765.524558	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+K"	38.963158
"752895"	1128.805258	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+K"	38.963158
"1548747"	402.243858	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+K"	38.963158
"310298"	383.265917	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+H+K"	39.970434
"696156"	564.906267	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+H+K"	39.970434
"1449975"	201.625567	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H+K"	39.970434
"242949"	768.595226	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+ACN+H"	42.033826
"1214562"	405.314526	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+ACN+H"	42.033826
"1198811"	203.160901	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+ACN+2H"	43.041102
"195691"	771.53256	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+2Na-H"	44.97116
"636347"	1134.81326	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+2Na-H"	44.97116
"1139854"	408.25186	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2Na-H"	44.97116
"180957"	386.269918	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+2Na"	45.978436
"616144"	567.910268	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+2Na"	45.978436
"1121836"	204.629568	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2Na"	45.978436
"1404265"	136.755470666667	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H+2Na"	46.985712
"1437844"	410.293446	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H+HCOOH"	47.012746
"227175"	391.30294	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+3H2O+2H"	56.04448
"1516333"	424.34549	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+IsoProp+H"	61.06479
"413832"	394.256888	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+Na+K"	61.952376
"776651"	575.897238	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+Na+K"	61.952376
"1672248"	212.616538	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Na+K"	61.952376
"254396"	790.577168	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+ACN+Na"	64.015768
"1231482"	427.296468	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+ACN+Na"	64.015768
"1721464"	427.319993	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+NH4+HCOOH"	64.039293
"1183534"	144.082784666667	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+3Na"	68.967654
"1655982"	432.275388	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Na+HCOOH"	68.994688
"165761"	803.48044	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+2K-H"	76.91904
"606414"	1166.76114	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+2K-H"	76.91904
"1094217"	440.19974	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2K-H"	76.91904
"151033"	402.243858	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"2M+2K"	77.926316
"587312"	583.884208	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"3M+2K"	77.926316
"1075105"	220.603508	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2K"	77.926316
"1102479"	442.214292	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2K+H"	78.933592
"1340323"	442.301907	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+DMSO+H"	79.021207
"1014320"	446.341076	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2ACN+H"	83.060376
"1534631"	447.334708	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+IsoProp+Na+H"	84.054008
"999986"	223.674176	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+2ACN+2H"	84.067652
"1594490"	448.249328	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+K+HCOOH"	84.968628
"1422337"	478.280838	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+H+CF3COOH"	115.000138
"1152626"	244.187451	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+3ACN+2H"	125.094202
"1697443"	495.307385	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+NH4+CF3COOH"	132.026685
"1634669"	500.26278	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+Na+CF3COOH"	136.98208
"1578953"	516.23672	"C11216"	"Zwittergent 3-14"	"C19H41NO3S"	"363.2807"	"M+K+CF3COOH"	152.95602
"813694"	183.0696	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M"	0
"978478"	164.05121	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-H2O-H"	-19.01839
"74742"	121.039124	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M-3H"	-3.021828
"511748"	182.062324	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M-3H"	-3.021828
"881894"	60.015924	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-3H"	-3.021828
"8121"	182.062324	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M-2H"	-2.014552
"449868"	273.597124	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M-2H"	-2.014552
"821108"	90.527524	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-2H"	-2.014552
"84378"	365.131924	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M-H"	-1.007276
"527220"	548.201524	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M-H"	-1.007276
"903930"	182.062324	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-H"	-1.007276
"58306"	382.158471	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M-2H+NH4"	16.019271
"495680"	565.228071	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M-2H+NH4"	16.019271
"875668"	199.088871	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-2H+NH4"	16.019271
"34820"	387.113866	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M-2H+Na"	20.974666
"477663"	570.183466	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M-2H+Na"	20.974666
"857653"	204.044266	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-2H+Na"	20.974666
"1623908"	204.044266	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Na-2H"	20.974666
"99343"	200.050663	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M-H+Cl"	33.962126
"538907"	291.585463	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M-H+Cl"	33.962126
"928172"	108.515863	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-H+Cl"	33.962126
"268913"	401.108602	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+Cl"	34.969402
"661457"	584.178202	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+Cl"	34.969402
"1273248"	218.039002	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Cl"	34.969402
"16783"	403.087806	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M-2H+K"	36.948606
"456464"	586.157406	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M-2H+K"	36.948606
"839008"	220.018206	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-2H+K"	36.948606
"1559216"	220.018206	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+K-2H"	36.948606
"944185"	228.067794	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-H+HCOOH"	44.998194
"365315"	411.137401	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+HCOOH-H"	44.998201
"351389"	425.153051	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+Hac-H"	59.013851
"1496940"	242.083451	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Hac-H"	59.013851
"960837"	250.049751	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-H+NaCOOH"	66.980151
"111078"	218.039002	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+2Cl"	69.938804
"553681"	309.573802	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+2Cl"	69.938804
"1023937"	126.504202	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2Cl"	69.938804
"1249352"	261.988485	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Br"	78.918885
"1309247"	264.044472	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Cl+HCOOH"	80.974872
"1322369"	286.026429	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Cl+NaCOOH"	102.956829
"914154"	296.055186	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M-H+CF3COOH"	112.985586
"1291955"	332.031864	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Cl+CF3COOH"	148.962264
"1373773"	148.056924	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H-2H2O"	-35.012676
"1390176"	166.0669	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H-H2O"	-17.0027
"294240"	367.146476	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+H"	1.007276
"684474"	550.216076	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+H"	1.007276
"1360458"	184.076876	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H"	1.007276
"135535"	184.076876	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+2H"	2.014552
"578376"	275.611676	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+2H"	2.014552
"1042436"	92.542076	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2H"	2.014552
"207785"	123.053676	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+3H"	3.021828
"647346"	184.076876	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+3H"	3.021828
"1163078"	62.030476	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+3H"	3.021828
"424487"	384.173023	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+NH4"	18.033823
"786092"	567.242623	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+NH4"	18.033823
"1688260"	201.103423	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+NH4"	18.033823
"338726"	192.5901495	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+H+NH4"	19.041099
"727864"	284.1249495	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+H+NH4"	19.041099
"1479502"	101.0553495	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H+NH4"	19.041099
"395018"	389.128418	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+Na"	22.989218
"755896"	572.198018	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+Na"	22.989218
"1606179"	206.058818	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Na"	22.989218
"319497"	195.067847	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+H+Na"	23.996494
"707905"	286.602647	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+H+Na"	23.996494
"1476041"	103.533047	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H+Na"	23.996494
"1066899"	69.35779	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2H+Na"	25.00377
"1272141"	216.103086	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+CH3OH+H"	33.033486
"392170"	405.102358	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+K"	38.963158
"752274"	588.171958	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+K"	38.963158
"1551043"	222.032758	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+K"	38.963158
"309315"	203.054817	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+H+K"	39.970434
"695173"	294.589617	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+H+K"	39.970434
"1450084"	111.520017	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H+K"	39.970434
"241964"	408.173026	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+ACN+H"	42.033826
"1213944"	225.103426	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+ACN+H"	42.033826
"1201835"	113.055351	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+ACN+2H"	43.041102
"195802"	411.11036	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+2Na-H"	44.97116
"635362"	594.17996	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+2Na-H"	44.97116
"1137777"	228.04076	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2Na-H"	44.97116
"179974"	206.058818	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+2Na"	45.978436
"620628"	297.593618	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+2Na"	45.978436
"1123040"	114.524018	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2Na"	45.978436
"1402917"	76.685104	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H+2Na"	46.985712
"1435403"	230.082346	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H+HCOOH"	47.012746
"225099"	211.09184	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+3H2O+2H"	56.04448
"1516443"	244.13439	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+IsoProp+H"	61.06479
"411756"	214.045788	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+Na+K"	61.952376
"772752"	305.580588	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+Na+K"	61.952376
"1668716"	122.510988	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Na+K"	61.952376
"252804"	430.154968	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+ACN+Na"	64.015768
"1234513"	247.085368	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+ACN+Na"	64.015768
"1722304"	247.108893	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+NH4+HCOOH"	64.039293
"1184741"	84.012418	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+3Na"	68.967654
"1659006"	252.064288	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Na+HCOOH"	68.994688
"162592"	443.05824	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+2K-H"	76.91904
"604340"	626.12784	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+2K-H"	76.91904
"1092139"	259.98864	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2K-H"	76.91904
"152236"	222.032758	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"2M+2K"	77.926316
"586329"	313.567558	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"3M+2K"	77.926316
"1075215"	130.497958	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2K"	77.926316
"1102953"	262.003192	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2K+H"	78.933592
"1339340"	262.090807	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+DMSO+H"	79.021207
"1020385"	266.129976	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2ACN+H"	83.060376
"1536929"	267.123608	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+IsoProp+Na+H"	84.054008
"1003377"	133.568626	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+2ACN+2H"	84.067652
"1587917"	268.038228	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+K+HCOOH"	84.968628
"1419168"	298.069738	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+H+CF3COOH"	115.000138
"1152737"	154.081901	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+3ACN+2H"	125.094202
"1697159"	315.096285	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+NH4+CF3COOH"	132.026685
"1636849"	320.05168	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+Na+CF3COOH"	136.98208
"1579063"	336.02562	"C11217"	"p-Fluorophenylalanine"	"C9H10FNO2"	"183.0696"	"M+K+CF3COOH"	152.95602
"814533"	1140.7059	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M"	0
"988429"	1121.68751	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-H2O-H"	-19.01839
"73393"	759.463324	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M-3H"	-3.021828
"509672"	1139.698624	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M-3H"	-3.021828
"880911"	379.228024	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-3H"	-3.021828
"10418"	1139.698624	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M-2H"	-2.014552
"445604"	1710.051574	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M-2H"	-2.014552
"820123"	569.345674	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-2H"	-2.014552
"85580"	2280.404524	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M-H"	-1.007276
"526238"	3421.110424	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M-H"	-1.007276
"902950"	1139.698624	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-H"	-1.007276
"58419"	2297.431071	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M-2H+NH4"	16.019271
"498708"	3438.136971	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M-2H+NH4"	16.019271
"874323"	1156.725171	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-2H+NH4"	16.019271
"41496"	2302.386466	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M-2H+Na"	20.974666
"479960"	3443.092366	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M-2H+Na"	20.974666
"856672"	1161.680566	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-2H+Na"	20.974666
"1628393"	1161.680566	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Na-2H"	20.974666
"109708"	1157.686963	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M-H+Cl"	33.962126
"542297"	1728.039913	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M-H+Cl"	33.962126
"927795"	587.334013	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-H+Cl"	33.962126
"269268"	2316.381202	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+Cl"	34.969402
"660837"	3457.087102	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+Cl"	34.969402
"1274821"	1175.675302	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Cl"	34.969402
"16772"	2318.360406	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M-2H+K"	36.948606
"456332"	3459.066306	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M-2H+K"	36.948606
"839118"	1177.654506	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-2H+K"	36.948606
"1558231"	1177.654506	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+K-2H"	36.948606
"943077"	1185.704094	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-H+HCOOH"	44.998194
"364330"	2326.410001	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+HCOOH-H"	44.998201
"351499"	2340.425651	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+Hac-H"	59.013851
"1494498"	1199.719751	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Hac-H"	59.013851
"960582"	1207.686051	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-H+NaCOOH"	66.980151
"117872"	1175.675302	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+2Cl"	69.938804
"553791"	1746.028252	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+2Cl"	69.938804
"1027694"	605.322352	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2Cl"	69.938804
"1250191"	1219.624785	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Br"	78.918885
"1312639"	1221.680772	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Cl+HCOOH"	80.974872
"1324665"	1243.662729	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Cl+NaCOOH"	102.956829
"913535"	1253.691486	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M-H+CF3COOH"	112.985586
"1290610"	1289.668164	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Cl+CF3COOH"	148.962264
"1367127"	1105.693224	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H-2H2O"	-35.012676
"1387006"	1123.7032	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H-H2O"	-17.0027
"291070"	2282.419076	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+H"	1.007276
"681304"	3423.124976	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+H"	1.007276
"1357652"	1141.713176	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H"	1.007276
"132729"	1141.713176	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+2H"	2.014552
"576299"	1712.066126	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+2H"	2.014552
"1043275"	571.360226	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2H"	2.014552
"205221"	761.477876	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+3H"	3.021828
"646363"	1141.713176	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+3H"	3.021828
"1162769"	381.242576	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+3H"	3.021828
"424265"	2299.445623	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+NH4"	18.033823
"785797"	3440.151523	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+NH4"	18.033823
"1687276"	1158.739723	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+NH4"	18.033823
"335553"	1150.2264495	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+H+NH4"	19.041099
"727973"	1720.5793995	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+H+NH4"	19.041099
"1477662"	579.8734995	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H+NH4"	19.041099
"396100"	2304.401018	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+Na"	22.989218
"756001"	3445.106918	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+Na"	22.989218
"1603731"	1163.695118	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Na"	22.989218
"318513"	1152.704147	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+H+Na"	23.996494
"707770"	1723.057097	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+H+Na"	23.996494
"1476313"	582.351197	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H+Na"	23.996494
"1068186"	388.56989	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2H+Na"	25.00377
"1270994"	1173.739386	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+CH3OH+H"	33.033486
"385920"	2320.374958	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+K"	38.963158
"751291"	3461.080858	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+K"	38.963158
"1551153"	1179.669058	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+K"	38.963158
"308330"	1160.691117	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+H+K"	39.970434
"692731"	1731.044067	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+H+K"	39.970434
"1450194"	590.338167	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H+K"	39.970434
"242075"	2323.445626	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+ACN+H"	42.033826
"1214784"	1182.739726	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+ACN+H"	42.033826
"1201945"	591.873501	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+ACN+2H"	43.041102
"197004"	2326.38296	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+2Na-H"	44.97116
"634378"	3467.08886	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+2Na-H"	44.97116
"1133875"	1185.67706	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2Na-H"	44.97116
"177895"	1163.695118	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+2Na"	45.978436
"613566"	1734.048068	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+2Na"	45.978436
"1119870"	593.342168	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2Na"	45.978436
"1398895"	395.897204	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H+2Na"	46.985712
"1436605"	1187.718646	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H+HCOOH"	47.012746
"226302"	1168.72814	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+3H2O+2H"	56.04448
"1512542"	1201.77069	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+IsoProp+H"	61.06479
"412959"	1171.682088	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+Na+K"	61.952376
"772862"	1742.035038	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+Na+K"	61.952376
"1668099"	601.329138	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Na+K"	61.952376
"255712"	2345.427568	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+ACN+Na"	64.015768
"1235352"	1204.721668	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+ACN+Na"	64.015768
"1722777"	1204.745193	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+NH4+HCOOH"	64.039293
"1185944"	403.224518	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+3Na"	68.967654
"1658024"	1209.700588	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Na+HCOOH"	68.994688
"164158"	2358.33084	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+2K-H"	76.91904
"602258"	3499.03674	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+2K-H"	76.91904
"1086780"	1217.62494	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2K-H"	76.91904
"143956"	1179.669058	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"2M+2K"	77.926316
"585345"	1750.022008	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"3M+2K"	77.926316
"1069248"	609.316108	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2K"	77.926316
"1101972"	1219.639492	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2K+H"	78.933592
"1338721"	1219.727107	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+DMSO+H"	79.021207
"1014540"	1223.766276	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2ACN+H"	83.060376
"1533759"	1224.759908	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+IsoProp+Na+H"	84.054008
"998020"	612.386776	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+2ACN+2H"	84.067652
"1588152"	1225.674528	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+K+HCOOH"	84.968628
"1418184"	1255.706038	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+H+CF3COOH"	115.000138
"1147745"	632.900051	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+3ACN+2H"	125.094202
"1697299"	1272.732585	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+NH4+CF3COOH"	132.026685
"1639147"	1277.68798	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+Na+CF3COOH"	136.98208
"1579173"	1293.66192	"C11218"	"Gramicidin S"	"C60H92N12O10"	"1140.7059"	"M+K+CF3COOH"	152.95602
"815372"	359.044	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M"	0
"985259"	340.02561	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-H2O-H"	-19.01839
"73503"	238.355390666667	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M-3H"	-3.021828
"507595"	358.036724	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M-3H"	-3.021828
"885395"	118.674057333333	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-3H"	-3.021828
"12716"	358.036724	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M-2H"	-2.014552
"443529"	537.558724	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M-2H"	-2.014552
"823516"	178.514724	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-2H"	-2.014552
"82414"	717.080724	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M-H"	-1.007276
"526349"	1076.124724	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M-H"	-1.007276
"905247"	358.036724	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-H"	-1.007276
"57438"	734.107271	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M-2H+NH4"	16.019271
"501859"	1093.151271	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M-2H+NH4"	16.019271
"872613"	375.063271	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-2H+NH4"	16.019271
"42701"	739.062666	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M-2H+Na"	20.974666
"477887"	1098.106666	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M-2H+Na"	20.974666
"858972"	380.018666	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-2H+Na"	20.974666
"1626318"	380.018666	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Na-2H"	20.974666
"108315"	376.025063	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M-H+Cl"	33.962126
"537305"	555.547063	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M-H+Cl"	33.962126
"927340"	196.503063	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-H+Cl"	33.962126
"270106"	753.057402	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+Cl"	34.969402
"660380"	1112.101402	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+Cl"	34.969402
"1273034"	394.013402	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Cl"	34.969402
"17490"	755.036606	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M-2H+K"	36.948606
"456363"	1114.080606	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M-2H+K"	36.948606
"834125"	395.992606	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-2H+K"	36.948606
"1560530"	395.992606	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+K-2H"	36.948606
"944040"	404.042194	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-H+HCOOH"	44.998194
"366626"	763.086201	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+HCOOH-H"	44.998201
"354889"	777.101851	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+Hac-H"	59.013851
"1499347"	418.057851	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Hac-H"	59.013851
"962514"	426.024151	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-H+NaCOOH"	66.980151
"124421"	394.013402	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+2Cl"	69.938804
"553901"	573.535402	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+2Cl"	69.938804
"1028533"	214.491402	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2Cl"	69.938804
"1252490"	437.962885	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Br"	78.918885
"1314935"	440.018872	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Cl+HCOOH"	80.974872
"1329150"	462.000829	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Cl+NaCOOH"	102.956829
"915105"	472.029586	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M-H+CF3COOH"	112.985586
"1295825"	508.006264	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Cl+CF3COOH"	148.962264
"1368157"	324.031324	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H-2H2O"	-35.012676
"1387480"	342.0413	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H-H2O"	-17.0027
"291180"	719.095276	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+H"	1.007276
"681050"	1078.139276	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+H"	1.007276
"1357398"	360.051276	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H"	1.007276
"132475"	360.051276	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+2H"	2.014552
"576409"	539.573276	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+2H"	2.014552
"1042292"	180.529276	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2H"	2.014552
"206060"	240.369942666667	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+3H"	3.021828
"646473"	360.051276	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+3H"	3.021828
"1162848"	120.688609333333	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+3H"	3.021828
"424952"	736.121823	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+NH4"	18.033823
"786678"	1095.165823	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+NH4"	18.033823
"1686292"	377.077823	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+NH4"	18.033823
"333476"	368.5645495	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+H+NH4"	19.041099
"728083"	548.0865495	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+H+NH4"	19.041099
"1478623"	189.0425495	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H+NH4"	19.041099
"395477"	741.077218	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+Na"	22.989218
"757202"	1100.121218	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+Na"	22.989218
"1607484"	382.033218	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Na"	22.989218
"316066"	371.042247	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+H+Na"	23.996494
"707760"	550.564247	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+H+Na"	23.996494
"1476831"	191.520247	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H+Na"	23.996494
"1068294"	128.015923333333	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2H+Na"	25.00377
"1272075"	392.077486	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+CH3OH+H"	33.033486
"387123"	757.051158	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+K"	38.963158
"749214"	1116.095158	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+K"	38.963158
"1551264"	398.007158	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+K"	38.963158
"308441"	379.029217	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+H+K"	39.970434
"692477"	558.551217	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+H+K"	39.970434
"1447024"	199.507217	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H+K"	39.970434
"242184"	760.121826	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+ACN+H"	42.033826
"1215988"	401.077826	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+ACN+H"	42.033826
"1199141"	201.042551	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+ACN+2H"	43.041102
"196020"	763.05916	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+2Na-H"	44.97116
"635581"	1122.10316	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+2Na-H"	44.97116
"1135808"	404.01516	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2Na-H"	44.97116
"176910"	382.033218	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+2Na"	45.978436
"615255"	561.555218	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+2Na"	45.978436
"1122169"	202.511218	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2Na"	45.978436
"1399127"	135.343237333333	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H+2Na"	46.985712
"1433436"	406.056746	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H+HCOOH"	47.012746
"223494"	387.06624	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+3H2O+2H"	56.04448
"1511196"	420.10879	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+IsoProp+H"	61.06479
"414161"	390.020188	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+Na+K"	61.952376
"777345"	569.542188	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+Na+K"	61.952376
"1671487"	210.498188	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Na+K"	61.952376
"256914"	782.103768	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+ACN+Na"	64.015768
"1230357"	423.059768	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+ACN+Na"	64.015768
"1719607"	423.083293	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+NH4+HCOOH"	64.039293
"1182045"	142.670551333333	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+3Na"	68.967654
"1654855"	428.038688	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Na+HCOOH"	68.994688
"162811"	795.00704	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+2K-H"	76.91904
"603463"	1154.05104	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+2K-H"	76.91904
"1085309"	435.96304	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2K-H"	76.91904
"145889"	398.007158	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"2M+2K"	77.926316
"585455"	577.529158	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"3M+2K"	77.926316
"1070694"	218.485158	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2K"	77.926316
"1102082"	437.977592	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2K+H"	78.933592
"1338467"	438.065207	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+DMSO+H"	79.021207
"1017930"	442.104376	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2ACN+H"	83.060376
"1533869"	443.098008	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+IsoProp+Na+H"	84.054008
"1000317"	221.555826	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+2ACN+2H"	84.067652
"1588262"	444.012628	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+K+HCOOH"	84.968628
"1422668"	474.044138	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+H+CF3COOH"	115.000138
"1148948"	242.069101	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+3ACN+2H"	125.094202
"1697769"	491.070685	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+NH4+CF3COOH"	132.026685
"1634274"	496.02608	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+Na+CF3COOH"	136.98208
"1571749"	512.00002	"C11219"	"Imazalil nitrate"	"C14H14Cl2N2OHNO3"	"359.044"	"M+K+CF3COOH"	152.95602
"815848"	451.2141	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M"	0
"986830"	432.19571	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-H2O-H"	-19.01839
"72520"	299.802124	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M-3H"	-3.021828
"512080"	450.206824	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M-3H"	-3.021828
"885507"	149.397424	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-3H"	-3.021828
"5173"	450.206824	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M-2H"	-2.014552
"442546"	675.813874	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M-2H"	-2.014552
"819254"	224.599774	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-2H"	-2.014552
"85806"	901.420924	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M-H"	-1.007276
"526461"	1352.635024	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M-H"	-1.007276
"905357"	450.206824	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-H"	-1.007276
"53173"	918.447471	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M-2H+NH4"	16.019271
"497109"	1369.661571	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M-2H+NH4"	16.019271
"874910"	467.233371	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-2H+NH4"	16.019271
"40623"	923.402866	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M-2H+Na"	20.974666
"476905"	1374.616966	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M-2H+Na"	20.974666
"856896"	472.188766	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-2H+Na"	20.974666
"1632870"	472.188766	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Na-2H"	20.974666
"106975"	468.195163	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M-H+Cl"	33.962126
"538146"	693.802213	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M-H+Cl"	33.962126
"927774"	242.588113	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-H+Cl"	33.962126
"268758"	937.397602	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+Cl"	34.969402
"661668"	1388.611702	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+Cl"	34.969402
"1273220"	486.183502	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Cl"	34.969402
"16261"	939.376806	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M-2H+K"	36.948606
"456674"	1390.590906	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M-2H+K"	36.948606
"836059"	488.162706	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-2H+K"	36.948606
"1557726"	488.162706	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+K-2H"	36.948606
"944879"	496.212294	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-H+HCOOH"	44.998194
"363823"	947.426401	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+HCOOH-H"	44.998201
"352812"	961.442051	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+Hac-H"	59.013851
"1497271"	510.227951	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Hac-H"	59.013851
"960802"	518.194251	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-H+NaCOOH"	66.980151
"121372"	486.183502	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+2Cl"	69.938804
"550367"	711.790552	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+2Cl"	69.938804
"1024634"	260.576452	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2Cl"	69.938804
"1250415"	530.132985	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Br"	78.918885
"1311765"	532.188972	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Cl+HCOOH"	80.974872
"1332543"	554.170929	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Cl+NaCOOH"	102.956829
"922509"	564.199686	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M-H+CF3COOH"	112.985586
"1295936"	600.176364	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Cl+CF3COOH"	148.962264
"1367903"	416.201424	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H-2H2O"	-35.012676
"1384306"	434.2114	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H-H2O"	-17.0027
"297245"	903.435476	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+H"	1.007276
"687721"	1354.649576	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+H"	1.007276
"1357873"	452.221376	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H"	1.007276
"132949"	452.221376	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+2H"	2.014552
"576519"	677.828426	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+2H"	2.014552
"1042402"	226.614326	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2H"	2.014552
"213219"	301.816676	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+3H"	3.021828
"646584"	452.221376	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+3H"	3.021828
"1163248"	151.411976	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+3H"	3.021828
"426887"	920.462023	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+NH4"	18.033823
"787880"	1371.676123	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+NH4"	18.033823
"1686402"	469.247923	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+NH4"	18.033823
"332493"	460.7346495	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+H+NH4"	19.041099
"727100"	686.3416995	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+H+NH4"	19.041099
"1479097"	235.1275995	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H+NH4"	19.041099
"396320"	925.417418	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+Na"	22.989218
"757314"	1376.631518	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+Na"	22.989218
"1609781"	474.203318	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Na"	22.989218
"318727"	463.212347	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+H+Na"	23.996494
"708720"	688.819397	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+H+Na"	23.996494
"1476535"	237.605297	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H+Na"	23.996494
"1064794"	158.73929	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2H+Na"	25.00377
"1269754"	484.247586	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+CH3OH+H"	33.033486
"383953"	941.391358	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+K"	38.963158
"747137"	1392.605458	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+K"	38.963158
"1544813"	490.177258	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+K"	38.963158
"307458"	471.199317	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+H+K"	39.970434
"692586"	696.806367	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+H+K"	39.970434
"1446766"	245.592267	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H+K"	39.970434
"240107"	944.462026	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+ACN+H"	42.033826
"1212816"	493.247926	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+ACN+H"	42.033826
"1198884"	247.127601	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+ACN+2H"	43.041102
"192850"	947.39936	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+2Na-H"	44.97116
"631680"	1398.61346	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+2Na-H"	44.97116
"1133728"	496.18526	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2Na-H"	44.97116
"177019"	474.203318	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+2Na"	45.978436
"614028"	699.810368	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+2Na"	45.978436
"1115913"	248.596268	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2Na"	45.978436
"1400334"	166.066604	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H+2Na"	46.985712
"1435735"	498.226846	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H+HCOOH"	47.012746
"220567"	479.23634	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+3H2O+2H"	56.04448
"1508791"	512.27889	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+IsoProp+H"	61.06479
"409897"	482.190288	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+Na+K"	61.952376
"770894"	707.797338	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+Na+K"	61.952376
"1669410"	256.583238	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Na+K"	61.952376
"254837"	966.443968	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+ACN+Na"	64.015768
"1230832"	515.229868	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+ACN+Na"	64.015768
"1720810"	515.253393	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+NH4+HCOOH"	64.039293
"1182155"	173.393918	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+3Na"	68.967654
"1653871"	520.208788	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Na+HCOOH"	68.994688
"161828"	979.34724	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+2K-H"	76.91904
"600656"	1430.56134	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+2K-H"	76.91904
"1085176"	528.13314	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2K-H"	76.91904
"144176"	490.177258	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"2M+2K"	77.926316
"584464"	715.784308	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"3M+2K"	77.926316
"1069711"	264.570208	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2K"	77.926316
"1101460"	530.147692	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2K+H"	78.933592
"1337847"	530.235307	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+DMSO+H"	79.021207
"1011480"	534.274476	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2ACN+H"	83.060376
"1528513"	535.268108	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+IsoProp+Na+H"	84.054008
"997147"	267.640876	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+2ACN+2H"	84.067652
"1588372"	536.182728	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+K+HCOOH"	84.968628
"1422778"	566.214238	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+H+CF3COOH"	115.000138
"1147964"	288.154151	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+3ACN+2H"	125.094202
"1697119"	583.240785	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+NH4+CF3COOH"	132.026685
"1635357"	588.19618	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+Na+CF3COOH"	136.98208
"1571533"	604.17012	"C11221"	"Formylmethionyl-leucyl-phenylalanine methyl ester;FMLP OMe"	"C22H33N3O5S"	"451.2141"	"M+K+CF3COOH"	152.95602
"816320"	560.2734	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M"	0
"988759"	541.25501	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-H2O-H"	-19.01839
"75909"	372.508324	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M-3H"	-3.021828
"516563"	559.266124	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M-3H"	-3.021828
"888897"	185.750524	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-3H"	-3.021828
"6376"	559.266124	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M-2H"	-2.014552
"443749"	839.402824	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M-2H"	-2.014552
"827017"	279.129424	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-2H"	-2.014552
"84822"	1119.539524	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M-H"	-1.007276
"527664"	1679.812924	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M-H"	-1.007276
"904374"	559.266124	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-H"	-1.007276
"54376"	1136.566071	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M-2H+NH4"	16.019271
"493938"	1696.839471	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M-2H+NH4"	16.019271
"875020"	576.292671	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-2H+NH4"	16.019271
"41826"	1141.521466	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M-2H+Na"	20.974666
"478108"	1701.794866	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M-2H+Na"	20.974666
"855912"	581.248066	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-2H+Na"	20.974666
"1633101"	581.248066	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Na-2H"	20.974666
"106349"	577.254463	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M-H+Cl"	33.962126
"538256"	857.391163	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M-H+Cl"	33.962126
"929220"	297.117763	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-H+Cl"	33.962126
"269234"	1155.516202	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+Cl"	34.969402
"664937"	1715.789602	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+Cl"	34.969402
"1274181"	595.242802	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Cl"	34.969402
"17832"	1157.495406	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M-2H+K"	36.948606
"456298"	1717.768806	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M-2H+K"	36.948606
"837262"	597.222006	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-2H+K"	36.948606
"1558928"	597.222006	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+K-2H"	36.948606
"946083"	605.271594	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-H+HCOOH"	44.998194
"366849"	1165.545001	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+HCOOH-H"	44.998201
"354016"	1179.560651	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+Hac-H"	59.013851
"1498839"	619.287251	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Hac-H"	59.013851
"961276"	627.253551	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-H+NaCOOH"	66.980151
"121482"	595.242802	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+2Cl"	69.938804
"550840"	875.379502	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+2Cl"	69.938804
"1027660"	315.106102	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2Cl"	69.938804
"1250525"	639.192285	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Br"	78.918885
"1311875"	641.248272	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Cl+HCOOH"	80.974872
"1333382"	663.230229	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Cl+NaCOOH"	102.956829
"923712"	673.258986	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M-H+CF3COOH"	112.985586
"1301513"	709.235664	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Cl+CF3COOH"	148.962264
"1368127"	525.260724	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H-2H2O"	-35.012676
"1383323"	543.2707	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H-H2O"	-17.0027
"297233"	1121.554076	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+H"	1.007276
"687102"	1681.827476	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+H"	1.007276
"1357983"	561.280676	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H"	1.007276
"133059"	561.280676	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+2H"	2.014552
"576993"	841.417376	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+2H"	2.014552
"1042512"	281.143976	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2H"	2.014552
"213693"	374.522876	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+3H"	3.021828
"648881"	561.280676	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+3H"	3.021828
"1163357"	187.765076	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+3H"	3.021828
"428091"	1138.580623	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+NH4"	18.033823
"789081"	1698.854023	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+NH4"	18.033823
"1681770"	578.307223	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+NH4"	18.033823
"332603"	569.7939495	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+H+NH4"	19.041099
"725024"	849.9306495	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+H+NH4"	19.041099
"1478842"	289.6572495	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H+NH4"	19.041099
"395337"	1143.536018	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+Na"	22.989218
"756331"	1703.809418	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+Na"	22.989218
"1607705"	583.262618	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Na"	22.989218
"316287"	572.271647	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+H+Na"	23.996494
"707982"	852.408347	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+H+Na"	23.996494
"1476038"	292.134947	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H+Na"	23.996494
"1061623"	195.09239	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2H+Na"	25.00377
"1267677"	593.306886	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+CH3OH+H"	33.033486
"385157"	1159.509958	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+K"	38.963158
"747247"	1719.783358	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+K"	38.963158
"1542007"	599.236558	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+K"	38.963158
"307568"	580.258617	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+H+K"	39.970434
"692696"	860.395317	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+H+K"	39.970434
"1446513"	300.121917	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H+K"	39.970434
"240217"	1162.580626	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+ACN+H"	42.033826
"1214019"	602.307226	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+ACN+H"	42.033826
"1200090"	301.657251	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+ACN+2H"	43.041102
"192960"	1165.51796	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+2Na-H"	44.97116
"632521"	1725.79136	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+2Na-H"	44.97116
"1133110"	605.24456	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2Na-H"	44.97116
"174455"	583.262618	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+2Na"	45.978436
"614380"	863.399318	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+2Na"	45.978436
"1116063"	303.125918	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2Na"	45.978436
"1399593"	202.419704	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H+2Na"	46.985712
"1435844"	607.286146	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H+HCOOH"	47.012746
"221164"	588.29564	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+3H2O+2H"	56.04448
"1508862"	621.33819	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+IsoProp+H"	61.06479
"409034"	591.249588	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+Na+K"	61.952376
"772098"	871.386288	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+Na+K"	61.952376
"1666968"	311.112888	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Na+K"	61.952376
"252761"	1184.562568	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+ACN+Na"	64.015768
"1229848"	624.289168	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+ACN+Na"	64.015768
"1718734"	624.312693	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+NH4+HCOOH"	64.039293
"1180079"	209.747018	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+3Na"	68.967654
"1652887"	629.268088	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Na+HCOOH"	68.994688
"163031"	1197.46584	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+2K-H"	76.91904
"602591"	1757.73924	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+2K-H"	76.91904
"1087110"	637.19244	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2K-H"	76.91904
"144653"	599.236558	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"2M+2K"	77.926316
"584576"	879.373258	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"3M+2K"	77.926316
"1070547"	319.099858	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2K"	77.926316
"1101569"	639.206992	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2K+H"	78.933592
"1338680"	639.294607	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+DMSO+H"	79.021207
"1011590"	643.333776	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2ACN+H"	83.060376
"1530809"	644.327408	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+IsoProp+Na+H"	84.054008
"991787"	322.170526	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+2ACN+2H"	84.067652
"1595042"	645.242028	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+K+HCOOH"	84.968628
"1418513"	675.273538	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+H+CF3COOH"	115.000138
"1147142"	342.683801	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+3ACN+2H"	125.094202
"1697743"	692.300085	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+NH4+CF3COOH"	132.026685
"1635467"	697.25548	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+Na+CF3COOH"	136.98208
"1574035"	713.22942	"C11222"	"Geldanamycin"	"C29H40N2O9"	"560.2734"	"M+K+CF3COOH"	152.95602
"813150"	415.9174	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M"	0
"985589"	396.89901	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-H2O-H"	-19.01839
"73833"	276.270990666667	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M-3H"	-3.021828
"513393"	414.910124	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M-3H"	-3.021828
"885726"	137.631857333333	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-3H"	-3.021828
"5393"	414.910124	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M-2H"	-2.014552
"442036"	622.868824	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M-2H"	-2.014552
"821660"	206.951424	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-2H"	-2.014552
"84933"	830.827524	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M-H"	-1.007276
"528868"	1246.744924	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M-H"	-1.007276
"904485"	414.910124	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-H"	-1.007276
"56674"	847.854071	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M-2H+NH4"	16.019271
"497328"	1263.771471	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M-2H+NH4"	16.019271
"874039"	431.936671	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-2H+NH4"	16.019271
"42665"	852.809466	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M-2H+Na"	20.974666
"479311"	1268.726866	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M-2H+Na"	20.974666
"853836"	436.892066	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-2H+Na"	20.974666
"1633211"	436.892066	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Na-2H"	20.974666
"106459"	432.898463	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M-H+Cl"	33.962126
"541646"	640.857163	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M-H+Cl"	33.962126
"928966"	224.939763	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-H+Cl"	33.962126
"270803"	866.804202	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+Cl"	34.969402
"665047"	1282.721602	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+Cl"	34.969402
"1281824"	450.886802	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Cl"	34.969402
"23286"	868.783406	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M-2H+K"	36.948606
"460661"	1284.700806	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M-2H+K"	36.948606
"836279"	452.866006	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-2H+K"	36.948606
"1559038"	452.866006	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+K-2H"	36.948606
"948746"	460.915594	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-H+HCOOH"	44.998194
"365137"	876.833001	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+HCOOH-H"	44.998201
"355219"	890.848651	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+Hac-H"	59.013851
"1502958"	474.931251	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Hac-H"	59.013851
"963939"	482.897551	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-H+NaCOOH"	66.980151
"121592"	450.886802	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+2Cl"	69.938804
"550950"	658.845502	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+2Cl"	69.938804
"1027770"	242.928102	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2Cl"	69.938804
"1249542"	494.836285	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Br"	78.918885
"1311985"	496.892272	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Cl+HCOOH"	80.974872
"1331668"	518.874229	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Cl+NaCOOH"	102.956829
"922728"	528.902986	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M-H+CF3COOH"	112.985586
"1298345"	564.879664	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Cl+CF3COOH"	148.962264
"1368853"	380.904724	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H-2H2O"	-35.012676
"1385256"	398.9147	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H-H2O"	-17.0027
"296977"	832.842076	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+H"	1.007276
"685025"	1248.759476	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+H"	1.007276
"1363197"	416.924676	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H"	1.007276
"138637"	416.924676	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+2H"	2.014552
"579293"	624.883376	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+2H"	2.014552
"1042622"	208.965976	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2H"	2.014552
"215990"	278.285542666667	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+3H"	3.021828
"652271"	416.924676	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+3H"	3.021828
"1168211"	139.646409333333	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+3H"	3.021828
"428201"	849.868623	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+NH4"	18.033823
"789194"	1265.786023	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+NH4"	18.033823
"1681760"	433.951223	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+NH4"	18.033823
"334900"	425.4379495	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+H+NH4"	19.041099
"724041"	633.3966495	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+H+NH4"	19.041099
"1482236"	217.4792495	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H+NH4"	19.041099
"398729"	854.824018	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+Na"	22.989218
"760817"	1270.741418	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+Na"	22.989218
"1607816"	438.906618	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Na"	22.989218
"317488"	427.915647	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+H+Na"	23.996494
"708820"	635.874347	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+H+Na"	23.996494
"1475049"	219.956947	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H+Na"	23.996494
"1063919"	146.973723333333	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2H+Na"	25.00377
"1267787"	448.950886	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+CH3OH+H"	33.033486
"385267"	870.797958	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+K"	38.963158
"748450"	1286.715358	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+K"	38.963158
"1546127"	454.880558	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+K"	38.963158
"307677"	435.902617	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+H+K"	39.970434
"692078"	643.861317	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+H+K"	39.970434
"1447716"	227.943917	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H+K"	39.970434
"240327"	873.868626	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+ACN+H"	42.033826
"1213399"	457.951226	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+ACN+H"	42.033826
"1200200"	229.479251	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+ACN+2H"	43.041102
"192341"	876.80596	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+2Na-H"	44.97116
"633724"	1292.72336	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+2Na-H"	44.97116
"1133585"	460.88856	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2Na-H"	44.97116
"175415"	438.906618	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+2Na"	45.978436
"614976"	646.865318	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+2Na"	45.978436
"1116415"	230.947918	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2Na"	45.978436
"1402741"	154.301037333333	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H+2Na"	46.985712
"1434861"	462.930146	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H+HCOOH"	47.012746
"222370"	443.93964	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+3H2O+2H"	56.04448
"1510433"	476.98219	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+IsoProp+H"	61.06479
"409021"	446.893588	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+Na+K"	61.952376
"772208"	654.852288	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+Na+K"	61.952376
"1669628"	238.934888	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Na+K"	61.952376
"253965"	895.850568	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+ACN+Na"	64.015768
"1229958"	479.933168	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+ACN+Na"	64.015768
"1718844"	479.956693	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+NH4+HCOOH"	64.039293
"1179825"	161.628351333333	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+3Na"	68.967654
"1651904"	484.912088	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Na+HCOOH"	68.994688
"162046"	908.75384	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+2K-H"	76.91904
"605981"	1324.67124	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+2K-H"	76.91904
"1090493"	492.83644	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2K-H"	76.91904
"144035"	454.880558	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"2M+2K"	77.926316
"583594"	662.839258	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"3M+2K"	77.926316
"1069564"	246.921858	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2K"	77.926316
"1100951"	494.850992	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2K+H"	78.933592
"1338792"	494.938607	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+DMSO+H"	79.021207
"1007323"	498.977776	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2ACN+H"	83.060376
"1525207"	499.971408	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+IsoProp+Na+H"	84.054008
"990921"	249.992526	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+2ACN+2H"	84.067652
"1595152"	500.886028	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+K+HCOOH"	84.968628
"1417530"	530.917538	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+H+CF3COOH"	115.000138
"1147213"	270.505801	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+3ACN+2H"	125.094202
"1697160"	547.944085	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+NH4+CF3COOH"	132.026685
"1638493"	552.89948	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+Na+CF3COOH"	136.98208
"1574145"	568.87342	"C11223"	"Ferbam;Ferric dimethyldithiocarbamate"	"(C3H6NS2)3Fe"	"415.9174"	"M+K+CF3COOH"	152.95602
"816540"	164.095	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M"	0
"985699"	145.07661	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-H2O-H"	-19.01839
"75037"	108.389390666667	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M-3H"	-3.021828
"514597"	163.087724	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M-3H"	-3.021828
"886931"	53.6910573333333	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-3H"	-3.021828
"7692"	163.087724	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M-2H"	-2.014552
"449438"	245.135224	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M-2H"	-2.014552
"828333"	81.040224	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-2H"	-2.014552
"89419"	327.182724	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M-H"	-1.007276
"533926"	491.277724	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M-H"	-1.007276
"909333"	163.087724	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-H"	-1.007276
"60064"	344.209271	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M-2H+NH4"	16.019271
"500716"	508.304271	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M-2H+NH4"	16.019271
"877429"	180.114271	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-2H+NH4"	16.019271
"44961"	349.164666	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M-2H+Na"	20.974666
"480517"	513.259666	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M-2H+Na"	20.974666
"856132"	185.069666	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-2H+Na"	20.974666
"1632957"	185.069666	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Na-2H"	20.974666
"106569"	181.076063	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M-H+Cl"	33.962126
"546130"	263.123563	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M-H+Cl"	33.962126
"929806"	99.028563	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-H+Cl"	33.962126
"270550"	363.159402	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+Cl"	34.969402
"665522"	527.254402	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+Cl"	34.969402
"1278654"	199.064402	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Cl"	34.969402
"27771"	365.138606	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M-2H+K"	36.948606
"459678"	529.233606	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M-2H+K"	36.948606
"836750"	201.043606	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-2H+K"	36.948606
"1560240"	201.043606	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+K-2H"	36.948606
"949947"	209.093194	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-H+HCOOH"	44.998194
"367432"	373.188201	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+HCOOH-H"	44.998201
"352043"	387.203851	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+Hac-H"	59.013851
"1500147"	223.108851	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Hac-H"	59.013851
"962226"	231.075151	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-H+NaCOOH"	66.980151
"118422"	199.064402	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+2Cl"	69.938804
"554340"	281.111902	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+2Cl"	69.938804
"1027880"	117.016902	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2Cl"	69.938804
"1247455"	243.013885	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Br"	78.918885
"1310269"	245.069872	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Cl+HCOOH"	80.974872
"1331778"	267.051829	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Cl+NaCOOH"	102.956829
"923931"	277.080586	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M-H+CF3COOH"	112.985586
"1303194"	313.057264	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Cl+CF3COOH"	148.962264
"1370056"	129.082324	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H-2H2O"	-35.012676
"1385730"	147.0923	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H-H2O"	-17.0027
"297087"	329.197276	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+H"	1.007276
"685135"	493.292276	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+H"	1.007276
"1364400"	165.102276	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H"	1.007276
"139114"	165.102276	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+2H"	2.014552
"579403"	247.149776	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+2H"	2.014552
"1039452"	83.054776	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2H"	2.014552
"213913"	110.403942666667	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+3H"	3.021828
"651288"	165.102276	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+3H"	3.021828
"1165041"	55.7056093333333	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+3H"	3.021828
"426125"	346.223823	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+NH4"	18.033823
"789304"	510.318823	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+NH4"	18.033823
"1684542"	182.128823	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+NH4"	18.033823
"331851"	173.6155495	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+H+NH4"	19.041099
"724515"	255.6630495	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+H+NH4"	19.041099
"1482346"	91.5680495	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H+NH4"	19.041099
"402119"	351.179218	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+Na"	22.989218
"762020"	515.274218	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+Na"	22.989218
"1603675"	187.084218	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Na"	22.989218
"317963"	176.093247	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+H+Na"	23.996494
"708568"	258.140747	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+H+Na"	23.996494
"1466402"	94.045747	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H+Na"	23.996494
"1057462"	63.0329233333333	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2H+Na"	25.00377
"1271177"	197.128486	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+CH3OH+H"	33.033486
"387564"	367.153158	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+K"	38.963158
"751841"	531.248158	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+K"	38.963158
"1545144"	203.058158	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+K"	38.963158
"307787"	184.080217	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+H+K"	39.970434
"698021"	266.127717	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+H+K"	39.970434
"1450748"	102.032717	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H+K"	39.970434
"240076"	370.223826	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+ACN+H"	42.033826
"1215335"	206.128826	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+ACN+H"	42.033826
"1198124"	103.568051	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+ACN+2H"	43.041102
"194274"	373.16116	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+2Na-H"	44.97116
"633105"	537.25616	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+2Na-H"	44.97116
"1132966"	209.06616	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2Na-H"	44.97116
"175285"	187.084218	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+2Na"	45.978436
"614846"	269.131718	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+2Na"	45.978436
"1120420"	105.036718	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2Na"	45.978436
"1403944"	70.3602373333333	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H+2Na"	46.985712
"1437161"	211.107746	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H+HCOOH"	47.012746
"224670"	192.11724	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+3H2O+2H"	56.04448
"1512731"	225.15979	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+IsoProp+H"	61.06479
"414602"	195.071188	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+Na+K"	61.952376
"773412"	277.118688	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+Na+K"	61.952376
"1671927"	113.023688	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Na+K"	61.952376
"256260"	392.205768	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+ACN+Na"	64.015768
"1228975"	228.110768	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+ACN+Na"	64.015768
"1715674"	228.134293	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+NH4+HCOOH"	64.039293
"1181027"	77.6875513333333	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+3Na"	68.967654
"1652378"	233.089688	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Na+HCOOH"	68.994688
"165437"	405.10904	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+2K-H"	76.91904
"607185"	569.20404	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+2K-H"	76.91904
"1093883"	241.01404	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2K-H"	76.91904
"146335"	203.058158	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"2M+2K"	77.926316
"583341"	285.105658	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"3M+2K"	77.926316
"1071135"	121.010658	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2K"	77.926316
"1102522"	243.028592	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2K+H"	78.933592
"1337812"	243.116207	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+DMSO+H"	79.021207
"1008530"	247.155376	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2ACN+H"	83.060376
"1526657"	248.149008	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+IsoProp+Na+H"	84.054008
"995292"	124.081326	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+2ACN+2H"	84.067652
"1593075"	249.063628	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+K+HCOOH"	84.968628
"1416549"	279.095138	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+H+CF3COOH"	115.000138
"1147931"	144.594601	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+3ACN+2H"	125.094202
"1701859"	296.121685	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+NH4+CF3COOH"	132.026685
"1636416"	301.07708	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+Na+CF3COOH"	136.98208
"1573162"	317.05102	"C11224"	"Fenuron"	"C9H12N2O"	"164.095"	"M+K+CF3COOH"	152.95602
"803526"	574.289	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M"	0
"983622"	555.27061	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-H2O-H"	-19.01839
"72957"	381.852057333333	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M-3H"	-3.021828
"514705"	573.281724	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M-3H"	-3.021828
"891048"	190.422390666667	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-3H"	-3.021828
"9988"	573.281724	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M-2H"	-2.014552
"448455"	860.426224	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M-2H"	-2.014552
"826256"	286.137224	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-2H"	-2.014552
"87342"	1147.570724	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M-H"	-1.007276
"532369"	1721.859724	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M-H"	-1.007276
"907984"	573.281724	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-H"	-1.007276
"60173"	1164.597271	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M-2H+NH4"	16.019271
"499733"	1738.886271	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M-2H+NH4"	16.019271
"876443"	590.308271	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-2H+NH4"	16.019271
"42155"	1169.552666	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M-2H+Na"	20.974666
"481721"	1743.841666	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M-2H+Na"	20.974666
"857330"	595.263666	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-2H+Na"	20.974666
"1624681"	595.263666	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Na-2H"	20.974666
"104490"	591.270063	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M-H+Cl"	33.962126
"542960"	878.414563	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M-H+Cl"	33.962126
"928822"	304.125563	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-H+Cl"	33.962126
"270660"	1183.547402	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+Cl"	34.969402
"664175"	1757.836402	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+Cl"	34.969402
"1275848"	609.258402	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Cl"	34.969402
"21320"	1185.526606	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M-2H+K"	36.948606
"457600"	1759.815606	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M-2H+K"	36.948606
"836130"	611.237606	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-2H+K"	36.948606
"1558893"	611.237606	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+K-2H"	36.948606
"950057"	619.287194	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-H+HCOOH"	44.998194
"368271"	1193.576201	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+HCOOH-H"	44.998201
"351424"	1207.591851	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+Hac-H"	59.013851
"1499893"	633.302851	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Hac-H"	59.013851
"971810"	641.269151	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-H+NaCOOH"	66.980151
"118532"	609.258402	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+2Cl"	69.938804
"551897"	896.402902	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+2Cl"	69.938804
"1023977"	322.113902	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2Cl"	69.938804
"1246472"	653.207885	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Br"	78.918885
"1306004"	655.263872	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Cl+HCOOH"	80.974872
"1331888"	677.245829	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Cl+NaCOOH"	102.956829
"923677"	687.274586	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M-H+CF3COOH"	112.985586
"1298563"	723.251264	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Cl+CF3COOH"	148.962264
"1369435"	539.276324	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H-2H2O"	-35.012676
"1385109"	557.2863	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H-H2O"	-17.0027
"293917"	1149.585276	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+H"	1.007276
"685245"	1723.874276	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+H"	1.007276
"1363781"	575.296276	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H"	1.007276
"139953"	575.296276	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+2H"	2.014552
"576231"	862.440776	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+2H"	2.014552
"1043935"	288.151776	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2H"	2.014552
"216210"	383.866609333333	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+3H"	3.021828
"651397"	575.296276	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+3H"	3.021828
"1166243"	192.436942666667	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+3H"	3.021828
"427326"	1166.611823	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+NH4"	18.033823
"790507"	1740.900823	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+NH4"	18.033823
"1684652"	592.322823	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+NH4"	18.033823
"332933"	583.8095495	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+H+NH4"	19.041099
"725354"	870.9540495	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+H+NH4"	19.041099
"1483549"	296.6650495	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H+NH4"	19.041099
"400042"	1171.567218	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+Na"	22.989218
"761037"	1745.856218	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+Na"	22.989218
"1605001"	597.278218	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Na"	22.989218
"315400"	586.287247	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+H+Na"	23.996494
"708678"	873.431747	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+H+Na"	23.996494
"1470885"	299.142747	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H+Na"	23.996494
"1059758"	199.764256666667	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2H+Na"	25.00377
"1270195"	607.322486	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+CH3OH+H"	33.033486
"387674"	1187.541158	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+K"	38.963158
"751223"	1761.830158	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+K"	38.963158
"1544161"	613.252158	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+K"	38.963158
"306804"	594.274217	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+H+K"	39.970434
"698131"	881.418717	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+H+K"	39.970434
"1448672"	307.129717	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H+K"	39.970434
"241644"	1190.611826	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+ACN+H"	42.033826
"1215445"	616.322826	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+ACN+H"	42.033826
"1196048"	308.665051	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+ACN+2H"	43.041102
"193291"	1193.54916	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+2Na-H"	44.97116
"632851"	1767.83816	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+2Na-H"	44.97116
"1132469"	619.26016	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2Na-H"	44.97116
"173573"	597.278218	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+2Na"	45.978436
"613738"	884.422718	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+2Na"	45.978436
"1115731"	310.133718	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2Na"	45.978436
"1399190"	207.091570666667	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H+2Na"	46.985712
"1440546"	621.301746	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H+HCOOH"	47.012746
"224778"	602.31124	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+3H2O+2H"	56.04448
"1513932"	635.35379	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+IsoProp+H"	61.06479
"414710"	605.265188	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+Na+K"	61.952376
"772793"	892.409688	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+Na+K"	61.952376
"1670942"	318.120688	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Na+K"	61.952376
"256733"	1212.593768	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+ACN+Na"	64.015768
"1229085"	638.304768	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+ACN+Na"	64.015768
"1713960"	638.328293	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+NH4+HCOOH"	64.039293
"1179921"	214.418884666667	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+3Na"	68.967654
"1651150"	643.283688	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Na+HCOOH"	68.994688
"160080"	1225.49704	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+2K-H"	76.91904
"604015"	1799.78604	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+2K-H"	76.91904
"1090713"	651.20804	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2K-H"	76.91904
"146445"	613.252158	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"2M+2K"	77.926316
"586004"	900.396658	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"3M+2K"	77.926316
"1070879"	326.107658	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2K"	77.926316
"1102631"	653.222592	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2K+H"	78.933592
"1339017"	653.310207	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+DMSO+H"	79.021207
"1010826"	657.349376	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2ACN+H"	83.060376
"1528954"	658.343008	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+IsoProp+Na+H"	84.054008
"994309"	329.178326	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+2ACN+2H"	84.067652
"1594278"	659.257628	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+K+HCOOH"	84.968628
"1417023"	689.289138	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+H+CF3COOH"	115.000138
"1150227"	349.691601	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+3ACN+2H"	125.094202
"1701969"	706.315685	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+NH4+CF3COOH"	132.026685
"1636526"	711.27108	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+Na+CF3COOH"	136.98208
"1575458"	727.24502	"C11225"	"Herbimycin;Herbimycin A"	"C30H42N2O9"	"574.289"	"M+K+CF3COOH"	152.95602
"802543"	330.0327	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M"	0
"982639"	311.01431	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H2O-H"	-19.01839
"70880"	219.014524	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-3H"	-3.021828
"513722"	329.025424	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-3H"	-3.021828
"888242"	109.003624	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-3H"	-3.021828
"9004"	329.025424	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H"	-2.014552
"445285"	494.041774	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H"	-2.014552
"821993"	164.009074	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H"	-2.014552
"88546"	659.058124	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-H"	-1.007276
"530293"	989.090824	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-H"	-1.007276
"908095"	329.025424	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H"	-1.007276
"51536"	676.084671	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H+NH4"	16.019271
"496564"	1006.117371	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H+NH4"	16.019271
"874368"	346.051971	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H+NH4"	16.019271
"41172"	681.040066	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H+Na"	20.974666
"484017"	1011.072766	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H+Na"	20.974666
"855255"	351.007366	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H+Na"	20.974666
"1632446"	351.007366	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na-2H"	20.974666
"106787"	347.013763	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-H+Cl"	33.962126
"539790"	512.030113	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-H+Cl"	33.962126
"930026"	181.997413	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+Cl"	33.962126
"269676"	695.034802	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Cl"	34.969402
"667565"	1025.067502	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+Cl"	34.969402
"1275594"	365.002102	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl"	34.969402
"24710"	697.014006	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H+K"	36.948606
"460990"	1027.046706	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H+K"	36.948606
"836607"	366.981306	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H+K"	36.948606
"1557910"	366.981306	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K-2H"	36.948606
"952355"	375.030894	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+HCOOH"	44.998194
"367654"	705.063601	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+HCOOH-H"	44.998201
"357368"	719.079251	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Hac-H"	59.013851
"1498545"	389.046551	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Hac-H"	59.013851
"969734"	397.012851	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+NaCOOH"	66.980151
"114631"	365.002102	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2Cl"	69.938804
"550184"	530.018452	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2Cl"	69.938804
"1022262"	199.985752	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2Cl"	69.938804
"1243666"	408.951585	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Br"	78.918885
"1306114"	411.007572	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl+HCOOH"	80.974872
"1331998"	432.989529	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl+NaCOOH"	102.956829
"923423"	443.018286	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+CF3COOH"	112.985586
"1292113"	478.994964	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl+CF3COOH"	148.962264
"1370639"	295.020024	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H-2H2O"	-35.012676
"1385950"	313.03	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H-H2O"	-17.0027
"294027"	661.072676	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H"	1.007276
"685355"	991.105376	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H"	1.007276
"1360611"	331.039976	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H"	1.007276
"136780"	331.039976	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2H"	2.014552
"577434"	496.056326	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2H"	2.014552
"1044045"	166.023626	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2H"	2.014552
"213040"	221.029076	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+3H"	3.021828
"649320"	331.039976	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+3H"	3.021828
"1166353"	111.018176	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+3H"	3.021828
"425250"	678.099223	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+NH4"	18.033823
"789524"	1008.131923	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+NH4"	18.033823
"1682940"	348.066523	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+NH4"	18.033823
"333043"	339.5532495	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H+NH4"	19.041099
"726557"	504.5695995	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H+NH4"	19.041099
"1481472"	174.5368995	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+NH4"	19.041099
"401245"	683.054618	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Na"	22.989218
"760053"	1013.087318	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+Na"	22.989218
"1605962"	353.021918	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na"	22.989218
"317090"	342.030947	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H+Na"	23.996494
"709517"	507.047297	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H+Na"	23.996494
"1473181"	177.014597	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+Na"	23.996494
"1062053"	118.34549	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2H+Na"	25.00377
"1265928"	363.066186	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+CH3OH+H"	33.033486
"383407"	699.028558	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+K"	38.963158
"750238"	1029.061258	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+K"	38.963158
"1545364"	368.995858	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K"	38.963158
"301446"	350.017917	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H+K"	39.970434
"698241"	515.034267	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H+K"	39.970434
"1448779"	185.001567	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+K"	39.970434
"241752"	702.099226	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+ACN+H"	42.033826
"1212273"	372.066526	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+ACN+H"	42.033826
"1198342"	186.536901	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+ACN+2H"	43.041102
"191215"	705.03656	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2Na-H"	44.97116
"631502"	1035.06926	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2Na-H"	44.97116
"1133551"	375.00386	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2Na-H"	44.97116
"172993"	353.021918	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2Na"	45.978436
"614942"	518.038268	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2Na"	45.978436
"1115628"	188.005568	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2Na"	45.978436
"1399788"	125.672804	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+2Na"	46.985712
"1439562"	377.045446	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+HCOOH"	47.012746
"231446"	358.05494	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+3H2O+2H"	56.04448
"1516228"	391.09749	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+IsoProp+H"	61.06479
"415913"	361.008888	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Na+K"	61.952376
"778004"	526.025238	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+Na+K"	61.952376
"1672145"	195.992538	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na+K"	61.952376
"257571"	724.081168	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+ACN+Na"	64.015768
"1229195"	394.048468	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+ACN+Na"	64.015768
"1714435"	394.071993	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+NH4+HCOOH"	64.039293
"1180153"	133.000118	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+3Na"	68.967654
"1652593"	399.027388	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na+HCOOH"	68.994688
"160190"	736.98444	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2K-H"	76.91904
"601938"	1067.01714	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2K-H"	76.91904
"1091916"	406.95174	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2K-H"	76.91904
"145455"	368.995858	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2K"	77.926316
"585748"	534.012208	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2K"	77.926316
"1073905"	203.979508	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2K"	77.926316
"1104562"	408.966292	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2K+H"	78.933592
"1340220"	409.053907	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+DMSO+H"	79.021207
"1009842"	413.093076	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2ACN+H"	83.060376
"1529063"	414.086708	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+IsoProp+Na+H"	84.054008
"995512"	207.050176	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2ACN+2H"	84.067652
"1594387"	415.001328	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K+HCOOH"	84.968628
"1416768"	445.032838	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+CF3COOH"	115.000138
"1150337"	227.563451	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+3ACN+2H"	125.094202
"1702079"	462.059385	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+NH4+CF3COOH"	132.026685
"1636636"	467.01478	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na+CF3COOH"	136.98208
"1575568"	482.98872	"C11226"	"Fenarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K+CF3COOH"	152.95602
"809215"	163.0667	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M"	0
"986029"	144.04831	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-H2O-H"	-19.01839
"77554"	107.703857333333	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M-3H"	-3.021828
"517925"	162.059424	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M-3H"	-3.021828
"892362"	53.3482906666667	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-3H"	-3.021828
"10207"	162.059424	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M-2H"	-2.014552
"449770"	243.592774	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M-2H"	-2.014552
"828665"	80.526074	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-2H"	-2.014552
"89750"	325.126124	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M-H"	-1.007276
"529311"	488.192824	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M-H"	-1.007276
"904927"	162.059424	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-H"	-1.007276
"53834"	342.152671	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M-2H+NH4"	16.019271
"495581"	505.219371	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M-2H+NH4"	16.019271
"874478"	179.085971	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-2H+NH4"	16.019271
"40189"	347.108066	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M-2H+Na"	20.974666
"481941"	510.174766	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M-2H+Na"	20.974666
"854272"	184.041366	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-2H+Na"	20.974666
"1630370"	184.041366	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Na-2H"	20.974666
"103617"	180.047763	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M-H+Cl"	33.962126
"544271"	261.581113	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M-H+Cl"	33.962126
"929043"	98.514413	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-H+Cl"	33.962126
"267231"	361.102802	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+Cl"	34.969402
"667675"	524.169502	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+Cl"	34.969402
"1272930"	198.036102	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Cl"	34.969402
"15984"	363.082006	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M-2H+K"	36.948606
"458913"	526.148706	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M-2H+K"	36.948606
"834284"	200.015306	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-2H+K"	36.948606
"1559113"	200.015306	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+K-2H"	36.948606
"943267"	208.064894	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-H+HCOOH"	44.998194
"365942"	371.131601	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+HCOOH-H"	44.998201
"352012"	385.147251	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+Hac-H"	59.013851
"1502304"	222.080551	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Hac-H"	59.013851
"966566"	230.046851	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-H+NaCOOH"	66.980151
"111946"	198.036102	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+2Cl"	69.938804
"553212"	279.569452	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+2Cl"	69.938804
"1023105"	116.502752	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2Cl"	69.938804
"1243047"	241.985585	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Br"	78.918885
"1304473"	244.041572	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Cl+HCOOH"	80.974872
"1320560"	266.023529	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Cl+NaCOOH"	102.956829
"923898"	276.052286	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M-H+CF3COOH"	112.985586
"1302066"	312.028964	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Cl+CF3COOH"	148.962264
"1371840"	128.054024	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H-2H2O"	-35.012676
"1388974"	146.064	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H-H2O"	-17.0027
"295230"	327.140676	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+H"	1.007276
"684370"	490.207376	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+H"	1.007276
"1354157"	164.073976	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H"	1.007276
"132514"	164.073976	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+2H"	2.014552
"570980"	245.607326	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+2H"	2.014552
"1041966"	82.540626	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2H"	2.014552
"212052"	109.718409333333	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+3H"	3.021828
"644352"	164.073976	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+3H"	3.021828
"1167554"	55.3628426666667	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+3H"	3.021828
"430826"	344.167223	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+NH4"	18.033823
"789634"	507.233923	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+NH4"	18.033823
"1682073"	181.100523	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+NH4"	18.033823
"330235"	172.5872495	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+H+NH4"	19.041099
"723178"	254.1205995	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+H+NH4"	19.041099
"1477690"	91.0538995	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H+NH4"	19.041099
"401355"	349.122618	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+Na"	22.989218
"758340"	512.189318	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+Na"	22.989218
"1604977"	186.055918	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Na"	22.989218
"315863"	175.064947	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+H+Na"	23.996494
"710714"	256.598297	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+H+Na"	23.996494
"1470011"	93.531597	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H+Na"	23.996494
"1059977"	62.6901566666667	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2H+Na"	25.00377
"1266038"	196.100186	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+CH3OH+H"	33.033486
"383516"	365.096558	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+K"	38.963158
"749619"	528.163258	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+K"	38.963158
"1545474"	202.029858	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+K"	38.963158
"301556"	183.051917	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+H+K"	39.970434
"695071"	264.585267	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+H+K"	39.970434
"1448890"	101.518567	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H+K"	39.970434
"238581"	368.167226	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+ACN+H"	42.033826
"1212383"	205.100526	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+ACN+H"	42.033826
"1197724"	103.053901	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+ACN+2H"	43.041102
"192781"	371.10456	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+2Na-H"	44.97116
"633068"	534.17126	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+2Na-H"	44.97116
"1135482"	208.03786	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2Na-H"	44.97116
"177677"	186.055918	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+2Na"	45.978436
"615779"	267.589268	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+2Na"	45.978436
"1119654"	104.522568	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2Na"	45.978436
"1400990"	70.0174706666667	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H+2Na"	46.985712
"1439672"	210.079446	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H+HCOOH"	47.012746
"229369"	191.08894	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+3H2O+2H"	56.04448
"1514150"	224.13149	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+IsoProp+H"	61.06479
"414930"	194.042888	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+Na+K"	61.952376
"774832"	275.576238	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+Na+K"	61.952376
"1668974"	112.509538	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Na+K"	61.952376
"257681"	390.149168	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+ACN+Na"	64.015768
"1228208"	227.082468	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+ACN+Na"	64.015768
"1715269"	227.105993	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+NH4+HCOOH"	64.039293
"1180259"	77.3447846666667	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+3Na"	68.967654
"1651976"	232.061388	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Na+HCOOH"	68.994688
"158477"	403.05244	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+2K-H"	76.91904
"600954"	566.11914	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+2K-H"	76.91904
"1086553"	239.98574	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2K-H"	76.91904
"145565"	202.029858	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"2M+2K"	77.926316
"585126"	283.563208	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"3M+2K"	77.926316
"1070370"	120.496508	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2K"	77.926316
"1102485"	242.000292	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2K+H"	78.933592
"1338870"	242.087907	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+DMSO+H"	79.021207
"1008859"	246.127076	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2ACN+H"	83.060376
"1526014"	247.120708	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+IsoProp+Na+H"	84.054008
"994528"	123.567176	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+2ACN+2H"	84.067652
"1590122"	248.035328	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+K+HCOOH"	84.968628
"1417971"	278.066838	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+H+CF3COOH"	115.000138
"1149353"	144.080451	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+3ACN+2H"	125.094202
"1702189"	295.093385	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+NH4+CF3COOH"	132.026685
"1636746"	300.04878	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+Na+CF3COOH"	136.98208
"1575678"	316.02272	"C11227"	"Ethionine"	"C6H13NO2S"	"163.0667"	"M+K+CF3COOH"	152.95602
"803127"	439.1681	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M"	0
"986139"	420.14971	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-H2O-H"	-19.01839
"71100"	291.771457333333	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M-3H"	-3.021828
"517224"	438.160824	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M-3H"	-3.021828
"890649"	145.382090666667	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-3H"	-3.021828
"9223"	438.160824	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M-2H"	-2.014552
"447693"	657.744874	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M-2H"	-2.014552
"825493"	218.576774	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-2H"	-2.014552
"90953"	877.328924	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M-H"	-1.007276
"529419"	1316.497024	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M-H"	-1.007276
"907222"	438.160824	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-H"	-1.007276
"57223"	894.355471	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M-2H+NH4"	16.019271
"495690"	1333.523571	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M-2H+NH4"	16.019271
"873496"	455.187371	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-2H+NH4"	16.019271
"35925"	899.310866	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M-2H+Na"	20.974666
"478768"	1338.478966	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M-2H+Na"	20.974666
"852196"	460.142766	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-2H+Na"	20.974666
"1630480"	460.142766	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Na-2H"	20.974666
"103727"	456.149163	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M-H+Cl"	33.962126
"542193"	675.733213	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M-H+Cl"	33.962126
"928060"	236.565113	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-H+Cl"	33.962126
"268195"	913.305602	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+Cl"	34.969402
"661589"	1352.473702	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+Cl"	34.969402
"1278001"	474.137502	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Cl"	34.969402
"16545"	915.284806	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M-2H+K"	36.948606
"459024"	1354.452906	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M-2H+K"	36.948606
"834030"	476.116706	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-2H+K"	36.948606
"1560316"	476.116706	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+K-2H"	36.948606
"948565"	484.166294	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-H+HCOOH"	44.998194
"367511"	923.334401	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+HCOOH-H"	44.998201
"351758"	937.350051	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+Hac-H"	59.013851
"1499134"	498.181951	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Hac-H"	59.013851
"966676"	506.148251	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-H+NaCOOH"	66.980151
"113394"	474.137502	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+2Cl"	69.938804
"554416"	693.721552	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+2Cl"	69.938804
"1025402"	254.553452	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2Cl"	69.938804
"1242427"	518.086985	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Br"	78.918885
"1304507"	520.142972	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Cl+HCOOH"	80.974872
"1320669"	542.124929	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Cl+NaCOOH"	102.956829
"924372"	552.153686	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M-H+CF3COOH"	112.985586
"1301081"	588.130364	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Cl+CF3COOH"	148.962264
"1371951"	404.155424	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H-2H2O"	-35.012676
"1387991"	422.1654	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H-H2O"	-17.0027
"295340"	879.343476	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+H"	1.007276
"683387"	1318.511576	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+H"	1.007276
"1355360"	440.175376	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H"	1.007276
"132624"	440.175376	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+2H"	2.014552
"573277"	659.759426	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+2H"	2.014552
"1045356"	220.591326	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2H"	2.014552
"213255"	293.786009333333	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+3H"	3.021828
"648446"	440.175376	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+3H"	3.021828
"1168757"	147.396642666667	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+3H"	3.021828
"429843"	896.370023	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+NH4"	18.033823
"791929"	1335.538123	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+NH4"	18.033823
"1681367"	457.201923	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+NH4"	18.033823
"330132"	448.6886495	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+H+NH4"	19.041099
"723614"	668.2726995	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+H+NH4"	19.041099
"1478286"	229.1045995	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H+NH4"	19.041099
"399279"	901.325418	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+Na"	22.989218
"756263"	1340.493518	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+Na"	22.989218
"1604359"	462.157318	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Na"	22.989218
"315002"	451.166347	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+H+Na"	23.996494
"709731"	670.750397	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+H+Na"	23.996494
"1469027"	231.582297	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H+Na"	23.996494
"1057899"	154.723956666667	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2H+Na"	25.00377
"1261767"	472.201586	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+CH3OH+H"	33.033486
"383626"	917.299358	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+K"	38.963158
"750822"	1356.467458	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+K"	38.963158
"1544491"	478.131258	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+K"	38.963158
"301665"	459.153317	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+H+K"	39.970434
"694088"	678.737367	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+H+K"	39.970434
"1447905"	239.569267	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H+K"	39.970434
"237598"	920.370026	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+ACN+H"	42.033826
"1211521"	481.201926	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+ACN+H"	42.033826
"1195403"	241.104601	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+ACN+2H"	43.041102
"193618"	923.30736	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+2Na-H"	44.97116
"633179"	1362.47546	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+2Na-H"	44.97116
"1135592"	484.13926	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2Na-H"	44.97116
"175235"	462.157318	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+2Na"	45.978436
"614434"	681.741368	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+2Na"	45.978436
"1116727"	242.573268	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2Na"	45.978436
"1400006"	162.051270666667	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H+2Na"	46.985712
"1439782"	486.180846	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H+HCOOH"	47.012746
"224379"	467.19034	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+3H2O+2H"	56.04448
"1515354"	500.23289	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+IsoProp+H"	61.06479
"415041"	470.144288	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+Na+K"	61.952376
"777129"	689.728338	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+Na+K"	61.952376
"1671273"	250.560238	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Na+K"	61.952376
"258886"	942.351968	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+ACN+Na"	64.015768
"1228321"	503.183868	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+ACN+Na"	64.015768
"1718295"	503.207393	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+NH4+HCOOH"	64.039293
"1180128"	169.378584666667	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+3Na"	68.967654
"1652087"	508.162788	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Na+HCOOH"	68.994688
"160410"	955.25524	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+2K-H"	76.91904
"601064"	1394.42334	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+2K-H"	76.91904
"1086663"	516.08714	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2K-H"	76.91904
"145675"	478.131258	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"2M+2K"	77.926316
"590703"	697.715308	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"3M+2K"	77.926316
"1076313"	258.547208	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2K"	77.926316
"1105147"	518.101692	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2K+H"	78.933592
"1342626"	518.189307	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+DMSO+H"	79.021207
"1010063"	522.228476	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2ACN+H"	83.060376
"1526002"	523.222108	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+IsoProp+Na+H"	84.054008
"995731"	261.617876	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+2ACN+2H"	84.067652
"1589139"	524.136728	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+K+HCOOH"	84.968628
"1418081"	554.168238	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+H+CF3COOH"	115.000138
"1149463"	282.131151	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+3ACN+2H"	125.094202
"1700110"	571.194785	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+NH4+CF3COOH"	132.026685
"1643417"	576.15018	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+Na+CF3COOH"	136.98208
"1574695"	592.12412	"C11228"	"Estramustine"	"C23H31Cl2NO3"	"439.1681"	"M+K+CF3COOH"	152.95602
"809435"	329.0731	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M"	0
"986249"	310.05471	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-H2O-H"	-19.01839
"69024"	218.374790666667	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M-3H"	-3.021828
"515875"	328.065824	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M-3H"	-3.021828
"890759"	108.683757333333	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-3H"	-3.021828
"6053"	328.065824	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M-2H"	-2.014552
"447802"	492.602374	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M-2H"	-2.014552
"822322"	163.529274	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-2H"	-2.014552
"84501"	657.138924	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M-H"	-1.007276
"525155"	986.212024	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M-H"	-1.007276
"898581"	328.065824	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-H"	-1.007276
"56238"	674.165471	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M-2H+NH4"	16.019271
"496893"	1003.238571	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M-2H+NH4"	16.019271
"867041"	345.092371	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-2H+NH4"	16.019271
"32756"	679.120866	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M-2H+Na"	20.974666
"479971"	1008.193966	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M-2H+Na"	20.974666
"852305"	350.047766	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-2H+Na"	20.974666
"1630590"	350.047766	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Na-2H"	20.974666
"103837"	346.054163	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M-H+Cl"	33.962126
"539023"	510.590713	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M-H+Cl"	33.962126
"930358"	181.517613	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-H+Cl"	33.962126
"270007"	693.115602	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+Cl"	34.969402
"660602"	1022.188702	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+Cl"	34.969402
"1273247"	364.042502	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Cl"	34.969402
"15957"	695.094806	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M-2H+K"	36.948606
"457069"	1024.167906	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M-2H+K"	36.948606
"833898"	366.021706	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-2H+K"	36.948606
"1557631"	366.021706	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+K-2H"	36.948606
"946485"	374.071294	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-H+HCOOH"	44.998194
"364338"	703.144401	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+HCOOH-H"	44.998201
"351867"	717.160051	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+Hac-H"	59.013851
"1501791"	388.086951	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Hac-H"	59.013851
"966786"	396.053251	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-H+NaCOOH"	66.980151
"112775"	364.042502	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+2Cl"	69.938804
"552338"	528.579052	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+2Cl"	69.938804
"1022595"	199.505952	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2Cl"	69.938804
"1241685"	407.991985	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Br"	78.918885
"1304413"	410.047972	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Cl+HCOOH"	80.974872
"1320084"	432.029929	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Cl+NaCOOH"	102.956829
"922294"	442.058686	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M-H+CF3COOH"	112.985586
"1300098"	478.035364	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Cl+CF3COOH"	148.962264
"1370969"	294.060424	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H-2H2O"	-35.012676
"1385183"	312.0704	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H-H2O"	-17.0027
"293263"	659.153476	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+H"	1.007276
"683498"	988.226576	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+H"	1.007276
"1357658"	330.080376	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H"	1.007276
"137108"	330.080376	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+2H"	2.014552
"577762"	494.616926	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+2H"	2.014552
"1046559"	165.543826	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2H"	2.014552
"212272"	220.389342666667	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+3H"	3.021828
"650745"	330.080376	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+3H"	3.021828
"1171055"	110.698309333333	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+3H"	3.021828
"427402"	676.180023	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+NH4"	18.033823
"789125"	1005.253123	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+NH4"	18.033823
"1681565"	347.106923	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+NH4"	18.033823
"330450"	338.5936495	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+H+NH4"	19.041099
"723600"	503.1301995	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+H+NH4"	19.041099
"1478396"	174.0570995	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H+NH4"	19.041099
"395742"	681.135418	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+Na"	22.989218
"755644"	1010.208518	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+Na"	22.989218
"1603740"	352.062318	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Na"	22.989218
"315840"	341.071347	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+H+Na"	23.996494
"709478"	505.607897	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+H+Na"	23.996494
"1469137"	176.534797	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H+Na"	23.996494
"1059102"	118.025623333333	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2H+Na"	25.00377
"1265158"	362.106586	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+CH3OH+H"	33.033486
"382645"	697.109358	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+K"	38.963158
"750932"	1026.182458	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+K"	38.963158
"1551162"	368.036258	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+K"	38.963158
"302869"	349.058317	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+H+K"	39.970434
"696384"	513.594867	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+H+K"	39.970434
"1449108"	184.521767	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H+K"	39.970434
"238804"	700.180026	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+ACN+H"	42.033826
"1211510"	371.106926	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+ACN+H"	42.033826
"1198676"	186.057101	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+ACN+2H"	43.041102
"190816"	703.11736	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+2Na-H"	44.97116
"633290"	1032.19046	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+2Na-H"	44.97116
"1134246"	374.04426	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2Na-H"	44.97116
"177898"	352.062318	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+2Na"	45.978436
"616366"	516.598868	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+2Na"	45.978436
"1116837"	187.525768	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2Na"	45.978436
"1400605"	125.352937333333	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H+2Na"	46.985712
"1438799"	376.085846	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H+HCOOH"	47.012746
"229592"	357.09534	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+3H2O+2H"	56.04448
"1516559"	390.13789	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+IsoProp+H"	61.06479
"414058"	360.049288	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+Na+K"	61.952376
"776147"	524.585838	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+Na+K"	61.952376
"1672476"	195.512738	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Na+K"	61.952376
"260091"	722.161968	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+ACN+Na"	64.015768
"1232796"	393.088868	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+ACN+Na"	64.015768
"1716947"	393.112393	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+NH4+HCOOH"	64.039293
"1181211"	132.680251333333	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+3Na"	68.967654
"1652927"	398.067788	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Na+HCOOH"	68.994688
"160520"	735.06524	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+2K-H"	76.91904
"599351"	1064.13834	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+2K-H"	76.91904
"1087142"	405.99214	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2K-H"	76.91904
"143592"	368.036258	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"2M+2K"	77.926316
"586437"	532.572808	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"3M+2K"	77.926316
"1076424"	203.499708	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2K"	77.926316
"1107445"	408.006692	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2K+H"	78.933592
"1341642"	408.094307	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+DMSO+H"	79.021207
"1011265"	412.133476	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2ACN+H"	83.060376
"1527206"	413.127108	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+IsoProp+Na+H"	84.054008
"994748"	206.570376	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+2ACN+2H"	84.067652
"1588155"	414.041728	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+K+HCOOH"	84.968628
"1416004"	444.073238	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+H+CF3COOH"	115.000138
"1149573"	227.083651	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+3ACN+2H"	125.094202
"1702409"	461.099785	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+NH4+CF3COOH"	132.026685
"1643527"	466.05518	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+Na+CF3COOH"	136.98208
"1574805"	482.02912	"C11229"	"Epoxiconazole"	"C17H13ClFN3O"	"329.0731"	"M+K+CF3COOH"	152.95602
"809545"	543.1741	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M"	0
"985266"	524.15571	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-H2O-H"	-19.01839
"77518"	361.108790666667	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M-3H"	-3.021828
"515985"	542.166824	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M-3H"	-3.021828
"891964"	180.050757333333	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-3H"	-3.021828
"6163"	542.166824	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M-2H"	-2.014552
"449006"	813.753874	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M-2H"	-2.014552
"821338"	270.579774	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-2H"	-2.014552
"84611"	1085.340924	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M-H"	-1.007276
"524172"	1628.515024	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M-H"	-1.007276
"899785"	542.166824	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-H"	-1.007276
"54161"	1102.367471	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M-2H+NH4"	16.019271
"498096"	1645.541571	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M-2H+NH4"	16.019271
"866058"	559.193371	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-2H+NH4"	16.019271
"35051"	1107.322866	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M-2H+Na"	20.974666
"474613"	1650.496966	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M-2H+Na"	20.974666
"849496"	564.148766	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-2H+Na"	20.974666
"1630336"	564.148766	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Na-2H"	20.974666
"103947"	560.155163	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M-H+Cl"	33.962126
"542413"	831.742213	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M-H+Cl"	33.962126
"941400"	288.568113	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-H+Cl"	33.962126
"270482"	1121.317602	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+Cl"	34.969402
"661443"	1664.491702	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+Cl"	34.969402
"1273356"	578.143502	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Cl"	34.969402
"16029"	1123.296806	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M-2H+K"	36.948606
"456126"	1666.470906	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M-2H+K"	36.948606
"837046"	580.122706	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-2H+K"	36.948606
"1560535"	580.122706	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+K-2H"	36.948606
"944774"	588.172294	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-H+HCOOH"	44.998194
"364448"	1131.346401	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+HCOOH-H"	44.998201
"352706"	1145.362051	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+Hac-H"	59.013851
"1501538"	602.187951	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Hac-H"	59.013851
"966892"	610.154251	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-H+NaCOOH"	66.980151
"112519"	578.143502	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+2Cl"	69.938804
"552813"	849.730552	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+2Cl"	69.938804
"1022705"	306.556452	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2Cl"	69.938804
"1243741"	622.092985	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Br"	78.918885
"1304401"	624.148972	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Cl+HCOOH"	80.974872
"1321131"	646.130929	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Cl+NaCOOH"	102.956829
"923134"	656.159686	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M-H+CF3COOH"	112.985586
"1301667"	692.136364	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Cl+CF3COOH"	148.962264
"1375088"	508.161424	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H-2H2O"	-35.012676
"1386752"	526.1714	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H-H2O"	-17.0027
"296653"	1087.355476	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+H"	1.007276
"686888"	1630.529576	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+H"	1.007276
"1364329"	544.181376	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H"	1.007276
"136124"	544.181376	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+2H"	2.014552
"576778"	815.768426	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+2H"	2.014552
"1048493"	272.594326	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2H"	2.014552
"216758"	363.123342666667	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+3H"	3.021828
"650853"	544.181376	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+3H"	3.021828
"1171165"	182.065309333333	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+3H"	3.021828
"433344"	1104.382023	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+NH4"	18.033823
"790329"	1647.556123	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+NH4"	18.033823
"1684838"	561.207923	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+NH4"	18.033823
"331292"	552.6946495	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+H+NH4"	19.041099
"722837"	824.2816995	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+H+NH4"	19.041099
"1477534"	281.1075995	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H+NH4"	19.041099
"393665"	1109.337418	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+Na"	22.989218
"756484"	1652.511518	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+Na"	22.989218
"1603162"	566.163318	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Na"	22.989218
"315346"	555.172347	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+H+Na"	23.996494
"709344"	826.759397	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+H+Na"	23.996494
"1471435"	283.585297	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H+Na"	23.996494
"1061401"	189.392623333333	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2H+Na"	25.00377
"1261991"	576.207586	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+CH3OH+H"	33.033486
"382753"	1125.311358	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+K"	38.963158
"748125"	1668.485458	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+K"	38.963158
"1544711"	582.137258	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+K"	38.963158
"304073"	563.159317	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+H+K"	39.970434
"699775"	834.746367	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+H+K"	39.970434
"1452499"	291.572267	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H+K"	39.970434
"238912"	1128.382026	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+ACN+H"	42.033826
"1210769"	585.207926	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+ACN+H"	42.033826
"1195260"	293.107601	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+ACN+2H"	43.041102
"191656"	1131.31936	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+2Na-H"	44.97116
"629878"	1674.49346	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+2Na-H"	44.97116
"1134722"	588.14526	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2Na-H"	44.97116
"174974"	566.163318	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+2Na"	45.978436
"614654"	837.750368	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+2Na"	45.978436
"1117919"	294.576268	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2Na"	45.978436
"1400348"	196.719937333333	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H+2Na"	46.985712
"1442192"	590.186846	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H+HCOOH"	47.012746
"230797"	571.19634	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+3H2O+2H"	56.04448
"1516669"	604.23889	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+IsoProp+H"	61.06479
"415263"	574.150288	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+Na+K"	61.952376
"776257"	845.737338	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+Na+K"	61.952376
"1671495"	302.563238	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Na+K"	61.952376
"258014"	1150.363968	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+ACN+Na"	64.015768
"1228172"	607.189868	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+ACN+Na"	64.015768
"1718520"	607.213393	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+NH4+HCOOH"	64.039293
"1182782"	204.047251333333	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+3Na"	68.967654
"1651945"	612.168788	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Na+HCOOH"	68.994688
"163911"	1163.26724	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+2K-H"	76.91904
"603470"	1706.44134	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+2K-H"	76.91904
"1092356"	620.09314	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2K-H"	76.91904
"143705"	582.137258	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"2M+2K"	77.926316
"587641"	853.724308	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"3M+2K"	77.926316
"1078361"	310.550208	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2K"	77.926316
"1109745"	622.107692	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2K+H"	78.933592
"1342846"	622.195307	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+DMSO+H"	79.021207
"1008095"	626.234476	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2ACN+H"	83.060376
"1526222"	627.228108	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+IsoProp+Na+H"	84.054008
"994858"	313.620876	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+2ACN+2H"	84.067652
"1592640"	628.142728	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+K+HCOOH"	84.968628
"1416114"	658.174238	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+H+CF3COOH"	115.000138
"1151870"	334.134151	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+3ACN+2H"	125.094202
"1712120"	675.200785	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+NH4+CF3COOH"	132.026685
"1647648"	680.15618	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+Na+CF3COOH"	136.98208
"1580383"	696.13012	"C11230"	"Epirubicin"	"C27H29NO11"	"543.1741"	"M+K+CF3COOH"	152.95602
"802000"	807.3466	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M"	0
"978815"	788.32821	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-H2O-H"	-19.01839
"68151"	537.223790666667	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M-3H"	-3.021828
"509899"	806.339324	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M-3H"	-3.021828
"885513"	268.108257333333	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-3H"	-3.021828
"5180"	806.339324	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M-2H"	-2.014552
"444741"	1210.012624	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M-2H"	-2.014552
"821449"	402.666024	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-2H"	-2.014552
"80347"	1613.685924	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M-H"	-1.007276
"519420"	2421.032524	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M-H"	-1.007276
"896979"	806.339324	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-H"	-1.007276
"49895"	1630.712471	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M-2H+NH4"	16.019271
"490550"	2438.059071	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M-2H+NH4"	16.019271
"864544"	823.365871	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-2H+NH4"	16.019271
"31999"	1635.667866	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M-2H+Na"	20.974666
"471679"	2443.014466	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M-2H+Na"	20.974666
"849033"	828.321266	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-2H+Na"	20.974666
"1618571"	828.321266	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Na-2H"	20.974666
"94699"	824.327663	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M-H+Cl"	33.962126
"540336"	1228.000963	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M-H+Cl"	33.962126
"932759"	420.654363	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-H+Cl"	33.962126
"267261"	1649.662602	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+Cl"	34.969402
"660026"	2457.009202	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+Cl"	34.969402
"1273138"	842.316002	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Cl"	34.969402
"16268"	1651.641806	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M-2H+K"	36.948606
"455849"	2458.988406	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M-2H+K"	36.948606
"833186"	844.295206	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-2H+K"	36.948606
"1555944"	844.295206	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+K-2H"	36.948606
"943786"	852.344794	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-H+HCOOH"	44.998194
"363467"	1659.691401	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+HCOOH-H"	44.998201
"347348"	1673.707051	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+Hac-H"	59.013851
"1494723"	866.360451	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Hac-H"	59.013851
"960075"	874.326751	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-H+NaCOOH"	66.980151
"112996"	842.316002	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+2Cl"	69.938804
"552559"	1245.989302	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+2Cl"	69.938804
"1022451"	438.642702	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2Cl"	69.938804
"1243123"	886.265485	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Br"	78.918885
"1304180"	888.321472	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Cl+HCOOH"	80.974872
"1319992"	910.303429	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Cl+NaCOOH"	102.956829
"922515"	920.332186	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M-H+CF3COOH"	112.985586
"1302506"	956.308864	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Cl+CF3COOH"	148.962264
"1379575"	772.333924	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H-2H2O"	-35.012676
"1385405"	790.3439	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H-H2O"	-17.0027
"294579"	1615.700476	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+H"	1.007276
"682626"	2423.047076	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+H"	1.007276
"1358973"	808.353876	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H"	1.007276
"138424"	808.353876	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+2H"	2.014552
"575796"	1212.027176	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+2H"	2.014552
"1050792"	404.680576	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2H"	2.014552
"218695"	539.238342666667	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+3H"	3.021828
"652058"	808.353876	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+3H"	3.021828
"1172369"	270.122809333333	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+3H"	3.021828
"431270"	1632.727023	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+NH4"	18.033823
"794450"	2440.073623	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+NH4"	18.033823
"1684948"	825.380423	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+NH4"	18.033823
"332495"	816.8671495	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+H+NH4"	19.041099
"723177"	1220.5404495	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+H+NH4"	19.041099
"1480199"	413.1938495	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H+NH4"	19.041099
"394502"	1637.682418	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+Na"	22.989218
"758781"	2445.029018	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+Na"	22.989218
"1603718"	830.335818	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Na"	22.989218
"316187"	819.344847	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+H+Na"	23.996494
"708969"	1223.018147	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+H+Na"	23.996494
"1470451"	415.671547	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H+Na"	23.996494
"1058230"	277.450123333333	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2H+Na"	25.00377
"1261008"	840.380086	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+CH3OH+H"	33.033486
"379585"	1653.656358	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+K"	38.963158
"744955"	2461.002958	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+K"	38.963158
"1550289"	846.309758	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+K"	38.963158
"303091"	827.331817	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+H+K"	39.970434
"697698"	1231.005117	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+H+K"	39.970434
"1451517"	423.658517	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H+K"	39.970434
"237930"	1656.727026	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+ACN+H"	42.033826
"1211733"	849.380426	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+ACN+H"	42.033826
"1194280"	425.193851	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+ACN+2H"	43.041102
"188655"	1659.66436	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+2Na-H"	44.97116
"628804"	2467.01096	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+2Na-H"	44.97116
"1133734"	852.31776	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2Na-H"	44.97116
"174107"	830.335818	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+2Na"	45.978436
"612917"	1234.009118	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+2Na"	45.978436
"1116284"	426.662518	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2Na"	45.978436
"1398836"	284.777437333333	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H+2Na"	46.985712
"1440115"	854.359346	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H+HCOOH"	47.012746
"227628"	835.36884	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+3H2O+2H"	56.04448
"1517874"	868.41139	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+IsoProp+H"	61.06479
"418654"	838.322788	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+Na+K"	61.952376
"776368"	1241.996088	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+Na+K"	61.952376
"1671605"	434.649488	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Na+K"	61.952376
"258124"	1678.708968	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+ACN+Na"	64.015768
"1227189"	871.362368	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+ACN+Na"	64.015768
"1717537"	871.385893	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+NH4+HCOOH"	64.039293
"1179976"	292.104751333333	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+3Na"	68.967654
"1650964"	876.341288	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Na+HCOOH"	68.994688
"161834"	1691.61224	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+2K-H"	76.91904
"601394"	2498.95884	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+2K-H"	76.91904
"1088093"	884.26564	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2K-H"	76.91904
"144911"	846.309758	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"2M+2K"	77.926316
"587751"	1249.983058	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"3M+2K"	77.926316
"1074461"	442.636458	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2K"	77.926316
"1107667"	886.280192	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2K+H"	78.933592
"1340770"	886.367807	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+DMSO+H"	79.021207
"1006016"	890.406976	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2ACN+H"	83.060376
"1526332"	891.400608	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+IsoProp+Na+H"	84.054008
"991687"	445.707126	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+2ACN+2H"	84.067652
"1590564"	892.315228	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+K+HCOOH"	84.968628
"1418412"	922.346738	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+H+CF3COOH"	115.000138
"1155264"	466.220401	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+3ACN+2H"	125.094202
"1711746"	939.373285	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+NH4+CF3COOH"	132.026685
"1644842"	944.32868	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+Na+CF3COOH"	136.98208
"1580493"	960.30262	"C11231"	"Docetaxel anhydrous;Docetaxel"	"C43H53NO14"	"807.3466"	"M+K+CF3COOH"	152.95602
"802110"	242.1168	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M"	0
"976735"	223.09841	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-H2O-H"	-19.01839
"69354"	160.403924	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M-3H"	-3.021828
"506725"	241.109524	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M-3H"	-3.021828
"885623"	79.698324	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-3H"	-3.021828
"6383"	241.109524	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M-2H"	-2.014552
"444851"	362.167924	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M-2H"	-2.014552
"821559"	120.051124	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-2H"	-2.014552
"80457"	483.226324	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M-H"	-1.007276
"520017"	725.343124	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M-H"	-1.007276
"898542"	241.109524	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-H"	-1.007276
"50004"	500.252871	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M-2H+NH4"	16.019271
"495032"	742.369671	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M-2H+NH4"	16.019271
"866272"	258.136071	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-2H+NH4"	16.019271
"33080"	505.208266	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M-2H+Na"	20.974666
"472883"	747.325066	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M-2H+Na"	20.974666
"849105"	263.091466	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-2H+Na"	20.974666
"1619982"	263.091466	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Na-2H"	20.974666
"96510"	259.097863	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M-H+Cl"	33.962126
"540446"	380.156263	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M-H+Cl"	33.962126
"930682"	138.039463	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-H+Cl"	33.962126
"267786"	519.203002	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+Cl"	34.969402
"662029"	761.319802	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+Cl"	34.969402
"1273047"	277.086202	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Cl"	34.969402
"16740"	521.182206	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M-2H+K"	36.948606
"455727"	763.299006	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M-2H+K"	36.948606
"833413"	279.065406	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-2H+K"	36.948606
"1556743"	279.065406	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+K-2H"	36.948606
"947548"	287.114994	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-H+HCOOH"	44.998194
"369045"	529.231801	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+HCOOH-H"	44.998201
"347458"	543.247451	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+Hac-H"	59.013851
"1495197"	301.130651	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Hac-H"	59.013851
"960185"	309.096951	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-H+NaCOOH"	66.980151
"112376"	277.086202	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+2Cl"	69.938804
"554855"	398.144602	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+2Cl"	69.938804
"1024382"	156.027802	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2Cl"	69.938804
"1242502"	321.035685	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Br"	78.918885
"1305679"	323.091672	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Cl+HCOOH"	80.974872
"1320987"	345.073629	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Cl+NaCOOH"	102.956829
"920438"	355.102386	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M-H+CF3COOH"	112.985586
"1302616"	391.079064	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Cl+CF3COOH"	148.962264
"1380416"	207.104124	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H-2H2O"	-35.012676
"1391714"	225.1141	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H-H2O"	-17.0027
"295782"	485.240876	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+H"	1.007276
"686016"	727.357676	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+H"	1.007276
"1360178"	243.124076	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H"	1.007276
"138532"	243.124076	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+2H"	2.014552
"571532"	364.182476	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+2H"	2.014552
"1047986"	122.065676	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2H"	2.014552
"218803"	162.418476	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+3H"	3.021828
"653259"	243.124076	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+3H"	3.021828
"1170292"	81.712876	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+3H"	3.021828
"433566"	502.267423	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+NH4"	18.033823
"795652"	744.384223	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+NH4"	18.033823
"1683600"	260.150623	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+NH4"	18.033823
"332605"	251.6373495	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+H+NH4"	19.041099
"725395"	372.6957495	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+H+NH4"	19.041099
"1479216"	130.5789495	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H+NH4"	19.041099
"397167"	507.222818	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+Na"	22.989218
"758891"	749.339618	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+Na"	22.989218
"1605530"	265.106018	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Na"	22.989218
"318851"	254.115047	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+H+Na"	23.996494
"708714"	375.173447	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+H+Na"	23.996494
"1469468"	133.056647	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H+Na"	23.996494
"1060526"	89.04019	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2H+Na"	25.00377
"1262211"	275.150286	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+CH3OH+H"	33.033486
"380788"	523.196758	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+K"	38.963158
"748345"	765.313558	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+K"	38.963158
"1548212"	281.079958	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+K"	38.963158
"306481"	262.102017	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+H+K"	39.970434
"696713"	383.160417	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+H+K"	39.970434
"1450532"	141.043617	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H+K"	39.970434
"235707"	526.267426	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+ACN+H"	42.033826
"1211843"	284.150626	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+ACN+H"	42.033826
"1194259"	142.578951	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+ACN+2H"	43.041102
"188792"	529.20476	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+2Na-H"	44.97116
"628800"	771.32156	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+2Na-H"	44.97116
"1132751"	287.08796	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2Na-H"	44.97116
"173977"	265.106018	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+2Na"	45.978436
"612852"	386.164418	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+2Na"	45.978436
"1116192"	144.047618	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2Na"	45.978436
"1398987"	96.367504	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H+2Na"	46.985712
"1442779"	289.129546	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H+HCOOH"	47.012746
"231747"	270.13904	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+3H2O+2H"	56.04448
"1517984"	303.18159	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+IsoProp+H"	61.06479
"419858"	273.092988	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+Na+K"	61.952376
"778665"	394.151388	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+Na+K"	61.952376
"1673902"	152.034588	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Na+K"	61.952376
"259328"	548.249368	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+ACN+Na"	64.015768
"1228758"	306.132568	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+ACN+Na"	64.015768
"1718740"	306.156093	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+NH4+HCOOH"	64.039293
"1180815"	103.694818	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+3Na"	68.967654
"1651801"	311.111488	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Na+HCOOH"	68.994688
"160851"	561.15264	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+2K-H"	76.91904
"601504"	803.26944	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+2K-H"	76.91904
"1090391"	319.03584	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2K-H"	76.91904
"147207"	281.079958	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"2M+2K"	77.926316
"584580"	402.138358	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"3M+2K"	77.926316
"1072374"	160.021558	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2K"	77.926316
"1107779"	321.050392	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2K+H"	78.933592
"1346349"	321.138007	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+DMSO+H"	79.021207
"1012692"	325.177176	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2ACN+H"	83.060376
"1527536"	326.170808	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+IsoProp+Na+H"	84.054008
"999455"	163.092226	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+2ACN+2H"	84.067652
"1597237"	327.085428	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+K+HCOOH"	84.968628
"1419615"	357.116938	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+H+CF3COOH"	115.000138
"1156467"	183.605501	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+3ACN+2H"	125.094202
"1708209"	374.143485	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+NH4+CF3COOH"	132.026685
"1644952"	379.09888	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+Na+CF3COOH"	136.98208
"1580603"	395.07282	"C11232"	"Diphenylcarbazide"	"C13H14N4O"	"242.1168"	"M+K+CF3COOH"	152.95602
"802220"	194.0579	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M"	0
"974656"	175.03951	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"65083"	128.364657333333	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"505009"	193.050624	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"880987"	63.6786906666667	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"2120"	193.050624	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"442773"	290.079574	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"820572"	96.021674	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"82753"	387.108524	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"522311"	581.166424	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"897562"	193.050624	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"52302"	404.135071	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"491864"	598.192971	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"866385"	210.077171	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"33315"	409.090466	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"474942"	603.148366	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"850191"	215.032566	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1621185"	215.032566	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"96620"	211.038963	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"540556"	308.067913	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"937355"	114.010013	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"268259"	423.085202	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"663597"	617.143102	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1273478"	229.027302	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"17463"	425.064406	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"456655"	619.122306	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"835189"	231.006506	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1557220"	231.006506	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"945104"	239.056094	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"368062"	433.114001	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"347200"	447.129651	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1495307"	253.071751	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"959930"	261.038051	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"111390"	229.027302	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"554234"	326.056252	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1021692"	131.998352	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1241757"	272.976785	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1309798"	275.032772	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1321094"	297.014729	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"920548"	307.043486	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1292879"	343.020164	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1380889"	159.045224	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1395105"	177.0552	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"291519"	389.123076	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"683938"	583.180976	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1361382"	195.065176	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"138642"	195.065176	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"569455"	292.094126	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1048095"	98.036226	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"217454"	130.379209333333	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"652277"	195.065176	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1171495"	65.6932426666667	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"433674"	406.149623	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"797949"	600.207523	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1684440"	212.091723	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"332716"	203.5784495	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"726234"	300.6073995	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1481876"	106.5494995	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"397642"	411.105018	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"759730"	605.162918	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1607463"	217.047118	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"317868"	206.056147	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"709312"	303.085097	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1468485"	109.027197	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1058450"	73.0205566666667	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1262321"	227.091386	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"383084"	427.078958	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"748455"	621.136858	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1546137"	233.021058	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"299303"	214.043117	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"696825"	311.072067	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1448456"	117.014167	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"236118"	430.149626	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1210491"	236.091726	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1194492"	118.549501	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"189795"	433.08696	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"629231"	627.14486	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1132130"	239.02906	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"173109"	217.047118	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"613516"	314.076068	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1116059"	120.018168	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1399706"	80.3478706666667	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1442525"	241.070646	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"230761"	222.08014	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1515906"	255.12269	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"413404"	225.034088	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"775493"	322.063038	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1668544"	128.005138	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"260531"	452.131568	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1234333"	258.073668	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1717751"	258.097193	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1180926"	87.6751846666667	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1651911"	263.052588	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"159865"	465.03484	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"604894"	659.09274	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1088313"	270.97694	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"147317"	233.021058	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"586877"	330.050008	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1069931"	135.992108	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1107889"	272.991492	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1345366"	273.079107	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1013895"	277.118276	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1524848"	278.111908	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"1000658"	139.062776	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1597347"	279.026528	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1416445"	309.058038	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1157670"	159.576051	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1708319"	326.084585	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1645062"	331.03998	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1580713"	347.01392	"C11233"	"Dimethyl phthalate"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"801627"	399.1394	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M"	0
"975858"	380.12101	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-H2O-H"	-19.01839
"67379"	265.085657333333	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M-3H"	-3.021828
"506941"	398.132124	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M-3H"	-3.021828
"881462"	132.039190666667	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-3H"	-3.021828
"2594"	398.132124	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M-2H"	-2.014552
"445069"	597.701824	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M-2H"	-2.014552
"820682"	198.562424	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-2H"	-2.014552
"82863"	797.271524	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M-H"	-1.007276
"526794"	1196.410924	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M-H"	-1.007276
"904598"	398.132124	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-H"	-1.007276
"57879"	814.298071	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M-2H+NH4"	16.019271
"497438"	1213.437471	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M-2H+NH4"	16.019271
"871959"	415.158671	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-2H+NH4"	16.019271
"33668"	819.253466	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M-2H+Na"	20.974666
"475052"	1218.392866	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M-2H+Na"	20.974666
"850666"	420.114066	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-2H+Na"	20.974666
"1623482"	420.114066	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Na-2H"	20.974666
"98917"	416.120463	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M-H+Cl"	33.962126
"540666"	615.690163	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M-H+Cl"	33.962126
"937465"	216.550763	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-H+Cl"	33.962126
"271648"	833.248202	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+Cl"	34.969402
"661641"	1232.387602	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+Cl"	34.969402
"1274039"	434.108802	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Cl"	34.969402
"17573"	835.227406	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M-2H+K"	36.948606
"456763"	1234.366806	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M-2H+K"	36.948606
"837487"	436.088006	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-2H+K"	36.948606
"1557330"	436.088006	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+K-2H"	36.948606
"944485"	444.137594	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-H+HCOOH"	44.998194
"364891"	843.277001	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+HCOOH-H"	44.998201
"348042"	857.292651	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+Hac-H"	59.013851
"1494685"	458.153251	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Hac-H"	59.013851
"964415"	466.119551	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-H+NaCOOH"	66.980151
"116240"	434.108802	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+2Cl"	69.938804
"554344"	633.678502	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+2Cl"	69.938804
"1024234"	234.539102	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2Cl"	69.938804
"1245634"	478.058285	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Br"	78.918885
"1308449"	480.114272	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Cl+HCOOH"	80.974872
"1324484"	502.096229	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Cl+NaCOOH"	102.956829
"920658"	512.124986	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M-H+CF3COOH"	112.985586
"1292260"	548.101664	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Cl+CF3COOH"	148.962264
"1380636"	364.126724	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H-2H2O"	-35.012676
"1397038"	382.1367	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H-H2O"	-17.0027
"294909"	799.286076	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+H"	1.007276
"681861"	1198.425476	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+H"	1.007276
"1360399"	400.146676	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H"	1.007276
"135472"	400.146676	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+2H"	2.014552
"572846"	599.716376	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+2H"	2.014552
"1048205"	200.576976	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2H"	2.014552
"219671"	267.100209333333	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+3H"	3.021828
"650203"	400.146676	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+3H"	3.021828
"1172699"	134.053742666667	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+3H"	3.021828
"431598"	816.312623	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+NH4"	18.033823
"794780"	1215.452023	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+NH4"	18.033823
"1685645"	417.173223	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+NH4"	18.033823
"331369"	408.6599495	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+H+NH4"	19.041099
"725250"	608.2296495	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+H+NH4"	19.041099
"1479434"	209.0902495	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H+NH4"	19.041099
"397752"	821.268018	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+Na"	22.989218
"759840"	1220.407418	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+Na"	22.989218
"1605023"	422.128618	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Na"	22.989218
"319071"	411.137647	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+H+Na"	23.996494
"710029"	610.707347	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+H+Na"	23.996494
"1468595"	211.567947	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H+Na"	23.996494
"1058561"	141.381056666667	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2H+Na"	25.00377
"1262431"	432.172886	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+CH3OH+H"	33.033486
"385380"	837.241958	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+K"	38.963158
"748565"	1236.381358	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+K"	38.963158
"1547340"	438.102558	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+K"	38.963158
"301599"	419.124617	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+H+K"	39.970434
"695842"	618.694317	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+H+K"	39.970434
"1449658"	219.554917	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H+K"	39.970434
"237039"	840.312626	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+ACN+H"	42.033826
"1210965"	441.173226	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+ACN+H"	42.033826
"1196062"	221.090251	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+ACN+2H"	43.041102
"193186"	843.24996	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+2Na-H"	44.97116
"631654"	1242.38936	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+2Na-H"	44.97116
"1133213"	444.11056	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2Na-H"	44.97116
"173466"	422.128618	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+2Na"	45.978436
"613306"	621.698318	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+2Na"	45.978436
"1118237"	222.558918	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2Na"	45.978436
"1401760"	148.708370666667	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H+2Na"	46.985712
"1438260"	446.152146	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H+HCOOH"	47.012746
"226862"	427.16164	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+3H2O+2H"	56.04448
"1516016"	460.20419	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+IsoProp+H"	61.06479
"411327"	430.115588	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+Na+K"	61.952376
"773416"	629.685288	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+Na+K"	61.952376
"1667681"	230.545888	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Na+K"	61.952376
"257361"	862.294568	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+ACN+Na"	64.015768
"1234443"	463.155168	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+ACN+Na"	64.015768
"1720048"	463.178693	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+NH4+HCOOH"	64.039293
"1179209"	156.035684666667	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+3Na"	68.967654
"1652384"	468.134088	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Na+HCOOH"	68.994688
"158272"	875.19784	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+2K-H"	76.91904
"601724"	1274.33724	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+2K-H"	76.91904
"1089516"	476.05844	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2K-H"	76.91904
"147426"	438.102558	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"2M+2K"	77.926316
"586987"	637.672258	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"3M+2K"	77.926316
"1071863"	238.532858	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2K"	77.926316
"1109090"	478.072992	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2K+H"	78.933592
"1346569"	478.160607	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+DMSO+H"	79.021207
"1011818"	482.199776	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2ACN+H"	83.060376
"1524362"	483.193408	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+IsoProp+Na+H"	84.054008
"992017"	241.603526	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+2ACN+2H"	84.067652
"1587488"	484.108028	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+K+HCOOH"	84.968628
"1414368"	514.139538	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+H+CF3COOH"	115.000138
"1156687"	262.116801	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+3ACN+2H"	125.094202
"1710981"	531.166085	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+NH4+CF3COOH"	132.026685
"1645172"	536.12148	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+Na+CF3COOH"	136.98208
"1580823"	552.09542	"C11234"	"Difloxacin"	"C21H19F2N3O3"	"399.1394"	"M+K+CF3COOH"	152.95602
"802196"	327.0905	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M"	0
"978158"	308.07211	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-H2O-H"	-19.01839
"70772"	217.053057333333	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M-3H"	-3.021828
"517987"	326.083224	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M-3H"	-3.021828
"888134"	108.022890666667	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-3H"	-3.021828
"11084"	326.083224	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M-2H"	-2.014552
"447366"	489.628474	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M-2H"	-2.014552
"826259"	162.537974	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-2H"	-2.014552
"91354"	653.173724	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M-H"	-1.007276
"530914"	980.264224	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M-H"	-1.007276
"906895"	326.083224	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-H"	-1.007276
"62123"	670.200271	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M-2H+NH4"	16.019271
"497548"	997.290771	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M-2H+NH4"	16.019271
"874257"	343.109771	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-2H+NH4"	16.019271
"34508"	675.155666	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M-2H+Na"	20.974666
"479536"	1002.246166	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M-2H+Na"	20.974666
"852963"	348.065166	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-2H+Na"	20.974666
"1626874"	348.065166	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Na-2H"	20.974666
"101214"	344.071563	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M-H+Cl"	33.962126
"545151"	507.616813	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M-H+Cl"	33.962126
"941588"	180.526313	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-H+Cl"	33.962126
"277226"	689.150402	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+Cl"	34.969402
"664911"	1016.240902	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+Cl"	34.969402
"1274761"	362.059902	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Cl"	34.969402
"24610"	691.129606	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M-2H+K"	36.948606
"459430"	1018.220106	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M-2H+K"	36.948606
"837962"	364.039106	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-2H+K"	36.948606
"1559263"	364.039106	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+K-2H"	36.948606
"948235"	372.088694	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-H+HCOOH"	44.998194
"365722"	699.179201	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+HCOOH-H"	44.998201
"348153"	713.194851	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+Hac-H"	59.013851
"1498443"	386.104351	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Hac-H"	59.013851
"967441"	394.070651	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-H+NaCOOH"	66.980151
"120724"	362.059902	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+2Cl"	69.938804
"554090"	525.605152	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+2Cl"	69.938804
"1026533"	198.514652	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2Cl"	69.938804
"1245747"	406.009385	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Br"	78.918885
"1311112"	408.065372	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Cl+HCOOH"	80.974872
"1328606"	430.047329	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Cl+NaCOOH"	102.956829
"918581"	440.076086	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M-H+CF3COOH"	112.985586
"1289819"	476.052764	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Cl+CF3COOH"	148.962264
"1380748"	292.077824	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H-2H2O"	-35.012676
"1393142"	310.0878	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H-H2O"	-17.0027
"291740"	655.188276	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+H"	1.007276
"679784"	982.278776	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+H"	1.007276
"1359415"	328.097776	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H"	1.007276
"133396"	328.097776	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+2H"	2.014552
"572956"	491.643026	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+2H"	2.014552
"1051598"	164.552526	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2H"	2.014552
"218769"	219.067609333333	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+3H"	3.021828
"652499"	328.097776	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+3H"	3.021828
"1171718"	110.037442666667	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+3H"	3.021828
"431710"	672.214823	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+NH4"	18.033823
"793799"	999.305323	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+NH4"	18.033823
"1686849"	345.124323	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+NH4"	18.033823
"331480"	336.6110495	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+H+NH4"	19.041099
"725361"	500.1562995	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+H+NH4"	19.041099
"1482823"	173.0657995	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H+NH4"	19.041099
"397133"	677.170218	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+Na"	22.989218
"759950"	1004.260718	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+Na"	22.989218
"1608048"	350.079718	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Na"	22.989218
"319180"	339.088747	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+H+Na"	23.996494
"711233"	502.633997	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+H+Na"	23.996494
"1464697"	175.543497	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H+Na"	23.996494
"1055392"	117.364756666667	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2H+Na"	25.00377
"1262541"	360.123986	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+CH3OH+H"	33.033486
"383304"	693.144158	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+K"	38.963158
"748677"	1020.234658	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+K"	38.963158
"1547450"	366.053658	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+K"	38.963158
"301710"	347.075717	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+H+K"	39.970434
"692063"	510.620967	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+H+K"	39.970434
"1446734"	183.530467	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H+K"	39.970434
"236428"	696.214826	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+ACN+H"	42.033826
"1210347"	369.124326	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+ACN+H"	42.033826
"1194837"	185.065801	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+ACN+2H"	43.041102
"191236"	699.15216	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+2Na-H"	44.97116
"631767"	1026.24266	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+2Na-H"	44.97116
"1133447"	372.06166	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2Na-H"	44.97116
"173697"	350.079718	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+2Na"	45.978436
"615083"	513.624968	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+2Na"	45.978436
"1120533"	186.534468	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2Na"	45.978436
"1404056"	124.692070666667	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H+2Na"	46.985712
"1443111"	374.103246	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H+HCOOH"	47.012746
"231714"	355.11274	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+3H2O+2H"	56.04448
"1520867"	388.15529	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+IsoProp+H"	61.06479
"419093"	358.066688	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+Na+K"	61.952376
"777901"	521.611938	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+Na+K"	61.952376
"1670951"	194.521438	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Na+K"	61.952376
"261846"	718.196768	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+ACN+Na"	64.015768
"1238928"	391.106268	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+ACN+Na"	64.015768
"1723440"	391.129793	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+NH4+HCOOH"	64.039293
"1181142"	132.019384666667	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+3Na"	68.967654
"1651158"	396.085188	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Na+HCOOH"	68.994688
"160083"	731.10004	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+2K-H"	76.91904
"602926"	1058.19054	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+2K-H"	76.91904
"1088533"	404.00954	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2K-H"	76.91904
"147537"	366.053658	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"2M+2K"	77.926316
"588191"	529.598908	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"3M+2K"	77.926316
"1073796"	202.508408	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2K"	77.926316
"1101782"	406.024092	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2K+H"	78.933592
"1340118"	406.111707	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+DMSO+H"	79.021207
"1007065"	410.150876	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2ACN+H"	83.060376
"1524698"	411.144508	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+IsoProp+Na+H"	84.054008
"990904"	205.579076	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+2ACN+2H"	84.067652
"1587837"	412.059128	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+K+HCOOH"	84.968628
"1414513"	442.090638	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+H+CF3COOH"	115.000138
"1156797"	226.092351	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+3ACN+2H"	125.094202
"1710726"	459.117185	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+NH4+CF3COOH"	132.026685
"1639814"	464.07258	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+Na+CF3COOH"	136.98208
"1580933"	480.04652	"C11235"	"Diclobutrazol"	"C15H19Cl2N3O"	"327.0905"	"M+K+CF3COOH"	152.95602
"808017"	609.2839	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M"	0
"974988"	590.26551	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-H2O-H"	-19.01839
"66508"	405.181990666667	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M-3H"	-3.021828
"515909"	608.276624	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M-3H"	-3.021828
"888245"	202.087357333333	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-3H"	-3.021828
"10101"	608.276624	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M-2H"	-2.014552
"445652"	912.918574	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M-2H"	-2.014552
"828556"	303.634674	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-2H"	-2.014552
"91464"	1217.560524	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M-H"	-1.007276
"530296"	1826.844424	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M-H"	-1.007276
"903724"	608.276624	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-H"	-1.007276
"58100"	1234.587071	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M-2H+NH4"	16.019271
"496566"	1843.870971	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M-2H+NH4"	16.019271
"871088"	625.303171	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-2H+NH4"	16.019271
"36804"	1239.542466	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M-2H+Na"	20.974666
"476366"	1848.826366	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M-2H+Na"	20.974666
"853073"	630.258566	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-2H+Na"	20.974666
"1626984"	630.258566	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Na-2H"	20.974666
"103511"	626.264963	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M-H+Cl"	33.962126
"543074"	930.906913	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M-H+Cl"	33.962126
"939875"	321.623013	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-H+Cl"	33.962126
"276242"	1253.537202	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+Cl"	34.969402
"662833"	1862.821102	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+Cl"	34.969402
"1275235"	644.253302	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Cl"	34.969402
"23627"	1255.516406	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M-2H+K"	36.948606
"463185"	1864.800306	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M-2H+K"	36.948606
"838436"	646.232506	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-2H+K"	36.948606
"1559736"	646.232506	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+K-2H"	36.948606
"946524"	654.282094	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-H+HCOOH"	44.998194
"364010"	1263.566001	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+HCOOH-H"	44.998201
"353367"	1277.581651	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+Hac-H"	59.013851
"1496001"	668.297751	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Hac-H"	59.013851
"964635"	676.264051	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-H+NaCOOH"	66.980151
"118648"	644.253302	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+2Cl"	69.938804
"554562"	948.895252	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+2Cl"	69.938804
"1027006"	339.611352	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2Cl"	69.938804
"1246585"	688.202785	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Br"	78.918885
"1310493"	690.258772	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Cl+HCOOH"	80.974872
"1327623"	712.240729	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Cl+NaCOOH"	102.956829
"920878"	722.269486	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M-H+CF3COOH"	112.985586
"1293211"	758.246164	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Cl+CF3COOH"	148.962264
"1382481"	574.271224	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H-2H2O"	-35.012676
"1397505"	592.2812	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H-H2O"	-17.0027
"291846"	1219.575076	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+H"	1.007276
"686455"	1828.858976	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+H"	1.007276
"1362805"	610.291176	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H"	1.007276
"141042"	610.291176	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+2H"	2.014552
"579629"	914.933126	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+2H"	2.014552
"1052599"	305.649226	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2H"	2.014552
"219955"	407.196542666667	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+3H"	3.021828
"653703"	610.291176	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+3H"	3.021828
"1175839"	204.101909333333	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+3H"	3.021828
"439112"	1236.601623	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+NH4"	18.033823
"800595"	1845.885523	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+NH4"	18.033823
"1690241"	627.317723	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+NH4"	18.033823
"336330"	618.8044495	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+H+NH4"	19.041099
"729846"	923.4463995	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+H+NH4"	19.041099
"1483664"	314.1624995	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H+NH4"	19.041099
"402343"	1241.557018	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+Na"	22.989218
"765527"	1850.840918	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+Na"	22.989218
"1612532"	632.273118	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Na"	22.989218
"321477"	621.282147	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+H+Na"	23.996494
"713899"	925.924097	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+H+Na"	23.996494
"1466629"	316.640197	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H+Na"	23.996494
"1057689"	211.429223333333	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2H+Na"	25.00377
"1262651"	642.317386	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+CH3OH+H"	33.033486
"385601"	1257.530958	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+K"	38.963158
"752068"	1866.814858	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+K"	38.963158
"1552302"	648.247058	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+K"	38.963158
"309476"	629.269117	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+H+K"	39.970434
"697157"	933.911067	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+H+K"	39.970434
"1453164"	324.627167	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H+K"	39.970434
"242858"	1260.601626	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+ACN+H"	42.033826
"1216660"	651.317726	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+ACN+H"	42.033826
"1200541"	326.162501	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+ACN+2H"	43.041102
"194507"	1263.53896	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+2Na-H"	44.97116
"636252"	1872.82286	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+2Na-H"	44.97116
"1140847"	654.25506	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2Na-H"	44.97116
"181951"	632.273118	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+2Na"	45.978436
"620417"	936.915068	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+2Na"	45.978436
"1121736"	327.631168	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2Na"	45.978436
"1406353"	218.756537333333	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H+2Na"	46.985712
"1438480"	656.296646	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H+HCOOH"	47.012746
"228174"	637.30614	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+3H2O+2H"	56.04448
"1519884"	670.34869	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+IsoProp+H"	61.06479
"419934"	640.260088	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+Na+K"	61.952376
"776919"	944.902038	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+Na+K"	61.952376
"1669968"	335.618138	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Na+K"	61.952376
"263050"	1282.583568	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+ACN+Na"	64.015768
"1237945"	673.299668	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+ACN+Na"	64.015768
"1726833"	673.323193	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+NH4+HCOOH"	64.039293
"1180159"	226.083851333333	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+3Na"	68.967654
"1654427"	678.278588	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Na+HCOOH"	68.994688
"163474"	1295.48684	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+2K-H"	76.91904
"603037"	1904.77074	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+2K-H"	76.91904
"1093017"	686.20294	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2K-H"	76.91904
"153114"	648.247058	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"2M+2K"	77.926316
"590488"	952.889008	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"3M+2K"	77.926316
"1075000"	343.605108	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2K"	77.926316
"1101773"	688.217492	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2K+H"	78.933592
"1337305"	688.305107	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+DMSO+H"	79.021207
"1007663"	692.344276	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2ACN+H"	83.060376
"1526031"	693.337908	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+IsoProp+Na+H"	84.054008
"990774"	346.675776	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+2ACN+2H"	84.067652
"1587705"	694.252528	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+K+HCOOH"	84.968628
"1414829"	724.284038	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+H+CF3COOH"	115.000138
"1158000"	367.189051	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+3ACN+2H"	125.094202
"1709742"	741.310585	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+NH4+CF3COOH"	132.026685
"1639924"	746.26598	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+Na+CF3COOH"	136.98208
"1581043"	762.23992	"C11236"	"Niguldipine;Dexniguldipine"	"C36H39N3O6"	"609.2839"	"M+K+CF3COOH"	152.95602
"808127"	448.2097	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M"	0
"975097"	429.19131	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-H2O-H"	-19.01839
"66618"	297.799190666667	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M-3H"	-3.021828
"513832"	447.202424	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M-3H"	-3.021828
"885074"	148.395957333333	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-3H"	-3.021828
"6929"	447.202424	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M-2H"	-2.014552
"446492"	671.307274	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M-2H"	-2.014552
"826481"	223.097574	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-2H"	-2.014552
"90843"	895.412124	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M-H"	-1.007276
"530405"	1343.621824	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M-H"	-1.007276
"903836"	447.202424	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-H"	-1.007276
"57116"	912.438671	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M-2H+NH4"	16.019271
"498863"	1360.648371	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M-2H+NH4"	16.019271
"873384"	464.228971	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-2H+NH4"	16.019271
"34728"	917.394066	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M-2H+Na"	20.974666
"471605"	1365.603766	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M-2H+Na"	20.974666
"848802"	469.184366	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-2H+Na"	20.974666
"1624906"	469.184366	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Na-2H"	20.974666
"99249"	465.190763	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M-H+Cl"	33.962126
"544644"	689.295613	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M-H+Cl"	33.962126
"936337"	241.085913	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-H+Cl"	33.962126
"275623"	931.388802	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+Cl"	34.969402
"661485"	1379.598502	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+Cl"	34.969402
"1272990"	483.179102	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Cl"	34.969402
"23737"	933.368006	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M-2H+K"	36.948606
"463295"	1381.577706	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M-2H+K"	36.948606
"843285"	485.158306	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-2H+K"	36.948606
"1557659"	485.158306	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+K-2H"	36.948606
"945906"	493.207894	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-H+HCOOH"	44.998194
"361852"	941.417601	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+HCOOH-H"	44.998201
"352384"	955.433251	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+Hac-H"	59.013851
"1496111"	507.223551	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Hac-H"	59.013851
"964380"	515.189851	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-H+NaCOOH"	66.980151
"116933"	483.179102	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+2Cl"	69.938804
"555401"	707.283952	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+2Cl"	69.938804
"1027118"	259.074252	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2Cl"	69.938804
"1248883"	527.128585	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Br"	78.918885
"1315341"	529.184572	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Cl+HCOOH"	80.974872
"1329556"	551.166529	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Cl+NaCOOH"	102.956829
"918801"	561.195286	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M-H+CF3COOH"	112.985586
"1292228"	597.171964	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Cl+CF3COOH"	148.962264
"1380607"	413.197024	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H-2H2O"	-35.012676
"1396645"	431.207	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H-H2O"	-17.0027
"290864"	897.426676	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+H"	1.007276
"684379"	1345.636376	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+H"	1.007276
"1360729"	449.216976	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H"	1.007276
"132527"	449.216976	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+2H"	2.014552
"575366"	673.321826	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+2H"	2.014552
"1052430"	225.112126	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2H"	2.014552
"218260"	299.813742666667	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+3H"	3.021828
"652720"	449.216976	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+3H"	3.021828
"1174127"	150.410509333333	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+3H"	3.021828
"436306"	914.453223	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+NH4"	18.033823
"798031"	1362.662923	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+NH4"	18.033823
"1685978"	466.243523	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+NH4"	18.033823
"334256"	457.7302495	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+H+NH4"	19.041099
"726311"	681.8350995	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+H+NH4"	19.041099
"1481951"	233.6253995	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H+NH4"	19.041099
"396258"	919.408618	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+Na"	22.989218
"762356"	1367.618318	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+Na"	22.989218
"1612643"	471.198918	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Na"	22.989218
"316485"	460.207947	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+H+Na"	23.996494
"710728"	684.312797	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+H+Na"	23.996494
"1466738"	236.103097	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H+Na"	23.996494
"1059984"	157.737823333333	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2H+Na"	25.00377
"1262761"	481.243186	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+CH3OH+H"	33.033486
"384618"	935.382558	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+K"	38.963158
"752178"	1383.592258	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+K"	38.963158
"1548762"	487.172858	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+K"	38.963158
"310312"	468.194917	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+H+K"	39.970434
"700547"	692.299767	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+H+K"	39.970434
"1453273"	244.090067	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H+K"	39.970434
"239686"	938.453226	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+ACN+H"	42.033826
"1216770"	490.243526	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+ACN+H"	42.033826
"1198465"	245.625401	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+ACN+2H"	43.041102
"193524"	941.39056	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+2Na-H"	44.97116
"633083"	1389.60026	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+2Na-H"	44.97116
"1139867"	493.18086	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2Na-H"	44.97116
"182791"	471.198918	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+2Na"	45.978436
"620530"	695.303768	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+2Na"	45.978436
"1121848"	247.094068	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2Na"	45.978436
"1405370"	165.065137333333	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H+2Na"	46.985712
"1437497"	495.222446	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H+HCOOH"	47.012746
"233388"	476.23194	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+3H2O+2H"	56.04448
"1519629"	509.27449	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+IsoProp+H"	61.06479
"419315"	479.185888	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+Na+K"	61.952376
"778122"	703.290738	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+Na+K"	61.952376
"1674452"	255.081038	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Na+K"	61.952376
"257693"	960.435168	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+ACN+Na"	64.015768
"1238057"	512.225468	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+ACN+Na"	64.015768
"1728241"	512.248993	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+NH4+HCOOH"	64.039293
"1181362"	172.392451333333	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+3Na"	68.967654
"1654537"	517.204388	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Na+HCOOH"	68.994688
"162490"	973.33844	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+2K-H"	76.91904
"604237"	1421.54814	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+2K-H"	76.91904
"1089843"	525.12874	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2K-H"	76.91904
"149940"	487.172858	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"2M+2K"	77.926316
"588408"	711.277708	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"3M+2K"	77.926316
"1072922"	263.068008	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2K"	77.926316
"1101762"	527.143292	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2K+H"	78.933592
"1339240"	527.230907	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+DMSO+H"	79.021207
"1007773"	531.270076	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2ACN+H"	83.060376
"1525899"	532.263708	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+IsoProp+Na+H"	84.054008
"990520"	266.138676	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+2ACN+2H"	84.067652
"1588061"	533.178328	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+K+HCOOH"	84.968628
"1415787"	563.209838	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+H+CF3COOH"	115.000138
"1157016"	286.651951	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+3ACN+2H"	125.094202
"1710945"	580.236385	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+NH4+CF3COOH"	132.026685
"1640034"	585.19178	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+Na+CF3COOH"	136.98208
"1581153"	601.16572	"C11237"	"17beta-Estradiol 17-(beta-D-glucuronide);Estradiol-17beta-glucuronide;Glucuronosylestradiol"	"C24H32O8"	"448.2097"	"M+K+CF3COOH"	152.95602
"803134"	412.1899	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M"	0
"981768"	393.17151	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-H2O-H"	-19.01839
"71104"	273.785990666667	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M-3H"	-3.021828
"513944"	411.182624	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M-3H"	-3.021828
"890652"	136.389357333333	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-3H"	-3.021828
"13602"	411.182624	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M-2H"	-2.014552
"448788"	617.277574	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M-2H"	-2.014552
"830965"	205.087674	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-2H"	-2.014552
"90957"	823.372524	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M-H"	-1.007276
"530517"	1235.562424	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M-H"	-1.007276
"907224"	411.182624	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-H"	-1.007276
"56133"	840.399071	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M-2H+NH4"	16.019271
"497881"	1252.588971	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M-2H+NH4"	16.019271
"870215"	428.209171	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-2H+NH4"	16.019271
"43586"	845.354466	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M-2H+Na"	20.974666
"473426"	1257.544366	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M-2H+Na"	20.974666
"858763"	433.164566	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-2H+Na"	20.974666
"1627204"	433.164566	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Na-2H"	20.974666
"104828"	429.170963	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M-H+Cl"	33.962126
"546578"	635.265913	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M-H+Cl"	33.962126
"941436"	223.076013	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-H+Cl"	33.962126
"279746"	859.349202	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+Cl"	34.969402
"671074"	1271.539102	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+Cl"	34.969402
"1279830"	447.159302	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Cl"	34.969402
"27858"	861.328406	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M-2H+K"	36.948606
"466689"	1273.518306	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M-2H+K"	36.948606
"844490"	449.138506	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-2H+K"	36.948606
"1564697"	449.138506	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+K-2H"	36.948606
"951485"	457.188094	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-H+HCOOH"	44.998194
"368971"	869.378001	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+HCOOH-H"	44.998201
"352494"	883.393651	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+Hac-H"	59.013851
"1500234"	471.203751	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Hac-H"	59.013851
"965587"	479.170051	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-H+NaCOOH"	66.980151
"118869"	447.159302	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+2Cl"	69.938804
"561349"	653.254252	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+2Cl"	69.938804
"1032335"	241.064352	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2Cl"	69.938804
"1254463"	491.108785	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Br"	78.918885
"1318370"	493.164772	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Cl+HCOOH"	80.974872
"1332220"	515.146729	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Cl+NaCOOH"	102.956829
"917818"	525.175486	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M-H+CF3COOH"	112.985586
"1292702"	561.152164	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Cl+CF3COOH"	148.962264
"1381444"	377.177224	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H-2H2O"	-35.012676
"1396756"	395.1872	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H-H2O"	-17.0027
"290974"	825.387076	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+H"	1.007276
"680116"	1237.576976	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+H"	1.007276
"1359744"	413.197176	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H"	1.007276
"140169"	413.197176	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+2H"	2.014552
"580460"	619.292126	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+2H"	2.014552
"1051202"	207.102226	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2H"	2.014552
"219104"	275.800542666667	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+3H"	3.021828
"658297"	413.197176	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+3H"	3.021828
"1174237"	138.403909333333	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+3H"	3.021828
"436416"	842.413623	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+NH4"	18.033823
"794131"	1254.603523	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+NH4"	18.033823
"1684992"	430.223723	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+NH4"	18.033823
"331447"	421.7104495	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+H+NH4"	19.041099
"724962"	627.8053995	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+H+NH4"	19.041099
"1481332"	215.6154995	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H+NH4"	19.041099
"398193"	847.369018	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+Na"	22.989218
"760281"	1259.558918	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+Na"	22.989218
"1609473"	435.179118	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Na"	22.989218
"320605"	424.188147	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+H+Na"	23.996494
"710840"	630.283097	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+H+Na"	23.996494
"1465755"	218.093197	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H+Na"	23.996494
"1056815"	145.731223333333	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2H+Na"	25.00377
"1260684"	445.223386	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+CH3OH+H"	33.033486
"382541"	863.342958	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+K"	38.963158
"752653"	1275.532858	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+K"	38.963158
"1548872"	451.153058	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+K"	38.963158
"307142"	432.175117	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+H+K"	39.970434
"700657"	638.270067	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+H+K"	39.970434
"1449009"	226.080167	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H+K"	39.970434
"238702"	866.413626	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+ACN+H"	42.033826
"1217974"	454.223726	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+ACN+H"	42.033826
"1197482"	227.615501	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+ACN+2H"	43.041102
"194727"	869.35096	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+2Na-H"	44.97116
"633193"	1281.54086	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+2Na-H"	44.97116
"1139976"	457.16106	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2Na-H"	44.97116
"183265"	435.179118	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+2Na"	45.978436
"621733"	641.274068	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+2Na"	45.978436
"1125238"	229.084168	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2Na"	45.978436
"1409490"	153.058537333333	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H+2Na"	46.985712
"1440887"	459.202646	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H+HCOOH"	47.012746
"233862"	440.21214	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+3H2O+2H"	56.04448
"1522657"	473.25469	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+IsoProp+H"	61.06479
"422712"	443.166088	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+Na+K"	61.952376
"785042"	649.261038	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+Na+K"	61.952376
"1678576"	237.071138	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Na+K"	61.952376
"265096"	888.395568	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+ACN+Na"	64.015768
"1235983"	476.205668	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+ACN+Na"	64.015768
"1726331"	476.229193	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+NH4+HCOOH"	64.039293
"1188034"	160.385851333333	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+3Na"	68.967654
"1660114"	481.184588	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Na+HCOOH"	68.994688
"168068"	901.29884	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+2K-H"	76.91904
"605441"	1313.48874	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+2K-H"	76.91904
"1095421"	489.10894	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2K-H"	76.91904
"156251"	451.153058	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"2M+2K"	77.926316
"592891"	657.248008	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"3M+2K"	77.926316
"1083117"	245.058108	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2K"	77.926316
"1104056"	491.123492	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2K+H"	78.933592
"1344815"	491.211107	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+DMSO+H"	79.021207
"1007029"	495.250276	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2ACN+H"	83.060376
"1525153"	496.243908	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+IsoProp+Na+H"	84.054008
"991357"	248.128776	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+2ACN+2H"	84.067652
"1589141"	497.158528	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+K+HCOOH"	84.968628
"1414798"	527.190038	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+H+CF3COOH"	115.000138
"1150199"	268.642051	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+3ACN+2H"	125.094202
"1700115"	544.216585	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+NH4+CF3COOH"	132.026685
"1634549"	549.17198	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+Na+CF3COOH"	136.98208
"1581263"	565.14592	"C11238"	"GF 109203X;Bisindolylmaleimide I"	"C25H24N4O2"	"412.1899"	"M+K+CF3COOH"	152.95602
"811628"	514.1152	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M"	0
"981879"	495.09681	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-H2O-H"	-19.01839
"71215"	341.736190666667	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M-3H"	-3.021828
"511869"	513.107924	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M-3H"	-3.021828
"888575"	170.364457333333	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-3H"	-3.021828
"13711"	513.107924	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M-2H"	-2.014552
"447806"	770.165524	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M-2H"	-2.014552
"829982"	256.050324	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-2H"	-2.014552
"91067"	1027.223124	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M-H"	-1.007276
"529535"	1541.338324	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M-H"	-1.007276
"906241"	513.107924	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-H"	-1.007276
"55149"	1044.249671	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M-2H+NH4"	16.019271
"495804"	1558.364871	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M-2H+NH4"	16.019271
"869232"	530.134471	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-2H+NH4"	16.019271
"44061"	1049.205066	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M-2H+Na"	20.974666
"475602"	1563.320266	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M-2H+Na"	20.974666
"859966"	535.089866	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-2H+Na"	20.974666
"1624034"	535.089866	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Na-2H"	20.974666
"107126"	531.096263	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M-H+Cl"	33.962126
"547417"	788.153863	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M-H+Cl"	33.962126
"941911"	274.038663	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-H+Cl"	33.962126
"279856"	1063.199802	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+Cl"	34.969402
"668268"	1577.315002	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+Cl"	34.969402
"1279940"	549.084602	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Cl"	34.969402
"28332"	1065.179006	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M-2H+K"	36.948606
"466799"	1579.294206	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M-2H+K"	36.948606
"844600"	551.063806	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-2H+K"	36.948606
"1563715"	551.063806	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+K-2H"	36.948606
"955604"	559.113394	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-H+HCOOH"	44.998194
"369080"	1073.228601	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+HCOOH-H"	44.998201
"351511"	1087.244251	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+Hac-H"	59.013851
"1502531"	573.129051	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Hac-H"	59.013851
"967883"	581.095351	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-H+NaCOOH"	66.980151
"118979"	549.084602	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+2Cl"	69.938804
"561459"	806.142202	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+2Cl"	69.938804
"1035238"	292.027002	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2Cl"	69.938804
"1254572"	593.034085	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Br"	78.918885
"1318116"	595.090072	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Cl+HCOOH"	80.974872
"1333424"	617.072029	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Cl+NaCOOH"	102.956829
"916835"	627.100786	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M-H+CF3COOH"	112.985586
"1292449"	663.077464	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Cl+CF3COOH"	148.962264
"1380463"	479.102524	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H-2H2O"	-35.012676
"1396625"	497.1125	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H-H2O"	-17.0027
"291084"	1029.237676	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+H"	1.007276
"680226"	1543.352876	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+H"	1.007276
"1359854"	515.122476	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H"	1.007276
"137119"	515.122476	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+2H"	2.014552
"579598"	772.180076	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+2H"	2.014552
"1049489"	258.064876	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2H"	2.014552
"216663"	343.750742666667	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+3H"	3.021828
"655858"	515.122476	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+3H"	3.021828
"1174347"	172.379009333333	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+3H"	3.021828
"433246"	1046.264223	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+NH4"	18.033823
"794241"	1560.379423	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+NH4"	18.033823
"1683643"	532.149023	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+NH4"	18.033823
"331070"	523.6357495	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+H+NH4"	19.041099
"726165"	780.6933495	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+H+NH4"	19.041099
"1481441"	266.5781495	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H+NH4"	19.041099
"398302"	1051.219618	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+Na"	22.989218
"762576"	1565.334818	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+Na"	22.989218
"1609583"	537.104418	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Na"	22.989218
"320714"	526.113447	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+H+Na"	23.996494
"710950"	783.171047	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+H+Na"	23.996494
"1463679"	269.055847	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H+Na"	23.996494
"1053888"	179.706323333333	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2H+Na"	25.00377
"1260794"	547.148686	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+CH3OH+H"	33.033486
"383744"	1067.193558	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+K"	38.963158
"749115"	1581.308758	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+K"	38.963158
"1551169"	553.078358	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+K"	38.963158
"307252"	534.100417	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+H+K"	39.970434
"699672"	791.158017	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+H+K"	39.970434
"1452399"	277.042817	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H+K"	39.970434
"243188"	1070.264226	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+ACN+H"	42.033826
"1218084"	556.149026	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+ACN+H"	42.033826
"1203060"	278.578151	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+ACN+2H"	43.041102
"193744"	1073.20156	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+2Na-H"	44.97116
"635492"	1587.31676	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+2Na-H"	44.97116
"1140092"	559.08636	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2Na-H"	44.97116
"182285"	537.104418	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+2Na"	45.978436
"619296"	794.162018	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+2Na"	45.978436
"1121707"	280.046818	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2Na"	45.978436
"1407781"	187.033637333333	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H+2Na"	46.985712
"1445340"	561.127946	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H+HCOOH"	47.012746
"233609"	542.13744	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+3H2O+2H"	56.04448
"1522767"	575.17999	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+IsoProp+H"	61.06479
"423189"	545.091388	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+Na+K"	61.952376
"784182"	802.148988	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+Na+K"	61.952376
"1679053"	288.033788	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Na+K"	61.952376
"261197"	1092.246168	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+ACN+Na"	64.015768
"1237555"	578.130968	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+ACN+Na"	64.015768
"1724619"	578.154493	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+NH4+HCOOH"	64.039293
"1192517"	194.360951333333	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+3Na"	68.967654
"1661318"	583.109888	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Na+HCOOH"	68.994688
"165991"	1105.14944	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+2K-H"	76.91904
"608833"	1619.26464	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+2K-H"	76.91904
"1096626"	591.03424	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2K-H"	76.91904
"155387"	553.078358	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"2M+2K"	77.926316
"596770"	810.135958	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"3M+2K"	77.926316
"1081528"	296.020758	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2K"	77.926316
"1103076"	593.048792	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2K+H"	78.933592
"1340555"	593.136407	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+DMSO+H"	79.021207
"1006533"	597.175576	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2ACN+H"	83.060376
"1527209"	598.169208	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+IsoProp+Na+H"	84.054008
"992561"	299.091426	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+2ACN+2H"	84.067652
"1590347"	599.083828	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+K+HCOOH"	84.968628
"1416126"	629.115338	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+H+CF3COOH"	115.000138
"1157236"	319.604701	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+3ACN+2H"	125.094202
"1700225"	646.141885	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+NH4+CF3COOH"	132.026685
"1636969"	651.09728	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+Na+CF3COOH"	136.98208
"1581373"	667.07122	"C11239"	"MK 571;Verlukast"	"C26H27ClN2O3S2"	"514.1152"	"M+K+CF3COOH"	152.95602
"805177"	363.1053	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M"	0
"978706"	344.08691	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-H2O-H"	-19.01839
"74606"	241.062924	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M-3H"	-3.021828
"511978"	362.098024	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M-3H"	-3.021828
"886500"	120.027824	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-3H"	-3.021828
"13822"	362.098024	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M-2H"	-2.014552
"449011"	543.650674	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M-2H"	-2.014552
"827906"	180.545374	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-2H"	-2.014552
"92637"	725.203324	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M-H"	-1.007276
"529645"	1088.308624	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M-H"	-1.007276
"904165"	362.098024	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-H"	-1.007276
"53073"	742.229871	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M-2H+NH4"	16.019271
"496643"	1105.335171	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M-2H+NH4"	16.019271
"871529"	379.124571	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-2H+NH4"	16.019271
"38335"	747.185266	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M-2H+Na"	20.974666
"472915"	1110.290566	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M-2H+Na"	20.974666
"851328"	384.079966	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-2H+Na"	20.974666
"1629611"	384.079966	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Na-2H"	20.974666
"109547"	380.086363	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M-H+Cl"	33.962126
"548622"	561.639013	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M-H+Cl"	33.962126
"942749"	198.533713	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-H+Cl"	33.962126
"280939"	761.180002	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+Cl"	34.969402
"673485"	1124.285302	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+Cl"	34.969402
"1288392"	398.074702	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Cl"	34.969402
"28808"	763.159206	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M-2H+K"	36.948606
"468732"	1126.264506	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M-2H+K"	36.948606
"846534"	400.053906	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-2H+K"	36.948606
"1570022"	400.053906	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+K-2H"	36.948606
"956079"	408.103494	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-H+HCOOH"	44.998194
"374295"	771.208801	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+HCOOH-H"	44.998201
"355632"	785.224451	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+Hac-H"	59.013851
"1505924"	422.119151	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Hac-H"	59.013851
"971278"	430.085451	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-H+NaCOOH"	66.980151
"124683"	398.074702	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+2Cl"	69.938804
"562662"	579.627352	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+2Cl"	69.938804
"1035593"	216.522052	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2Cl"	69.938804
"1256022"	442.024185	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Br"	78.918885
"1317497"	444.080172	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Cl+HCOOH"	80.974872
"1332807"	466.062129	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Cl+NaCOOH"	102.956829
"916945"	476.090886	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M-H+CF3COOH"	112.985586
"1292559"	512.067564	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Cl+CF3COOH"	148.962264
"1380939"	328.092624	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H-2H2O"	-35.012676
"1395520"	346.1026	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H-H2O"	-17.0027
"297391"	727.217876	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+H"	1.007276
"690543"	1090.323176	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+H"	1.007276
"1365799"	364.112576	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H"	1.007276
"137957"	364.112576	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+2H"	2.014552
"579707"	545.665226	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+2H"	2.014552
"1046683"	182.559926	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2H"	2.014552
"215678"	243.077476	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+3H"	3.021828
"654873"	364.112576	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+3H"	3.021828
"1170085"	122.042376	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+3H"	3.021828
"428250"	744.244423	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+NH4"	18.033823
"793257"	1107.349723	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+NH4"	18.033823
"1687764"	381.139123	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+NH4"	18.033823
"334583"	372.6258495	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+H+NH4"	19.041099
"729558"	554.1784995	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+H+NH4"	19.041099
"1483013"	191.0731995	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H+NH4"	19.041099
"400601"	749.199818	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+Na"	22.989218
"765969"	1112.305118	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+Na"	22.989218
"1610788"	386.094518	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Na"	22.989218
"319730"	375.103547	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+H+Na"	23.996494
"711060"	556.656197	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+H+Na"	23.996494
"1462330"	193.550897	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H+Na"	23.996494
"1054120"	129.36969	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2H+Na"	25.00377
"1259811"	396.138786	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+CH3OH+H"	33.033486
"383854"	765.173758	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+K"	38.963158
"752505"	1128.279058	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+K"	38.963158
"1547999"	402.068458	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+K"	38.963158
"308456"	383.090517	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+H+K"	39.970434
"700876"	564.643167	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+H+K"	39.970434
"1452509"	201.537867	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H+K"	39.970434
"245484"	768.244426	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+ACN+H"	42.033826
"1220381"	405.139126	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+ACN+H"	42.033826
"1200983"	203.073201	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+ACN+2H"	43.041102
"196040"	771.18176	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+2Na-H"	44.97116
"637788"	1134.28706	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+2Na-H"	44.97116
"1139106"	408.07646	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2Na-H"	44.97116
"183489"	386.094518	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+2Na"	45.978436
"622682"	567.647168	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+2Na"	45.978436
"1124732"	204.541868	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2Na"	45.978436
"1410078"	136.697004	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H+2Na"	46.985712
"1434544"	410.118046	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H+HCOOH"	47.012746
"228613"	391.12754	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+3H2O+2H"	56.04448
"1521051"	424.17009	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+IsoProp+H"	61.06479
"422926"	394.081488	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+Na+K"	61.952376
"780637"	575.634138	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+Na+K"	61.952376
"1680829"	212.528838	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Na+K"	61.952376
"265805"	790.226368	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+ACN+Na"	64.015768
"1239854"	427.121068	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+ACN+Na"	64.015768
"1726186"	427.144593	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+NH4+HCOOH"	64.039293
"1192627"	144.024318	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+3Na"	68.967654
"1663614"	432.099988	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Na+HCOOH"	68.994688
"172179"	803.12964	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+2K-H"	76.91904
"611130"	1166.23494	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+2K-H"	76.91904
"1098681"	440.02434	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2K-H"	76.91904
"157067"	402.068458	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"2M+2K"	77.926316
"594206"	583.621108	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"3M+2K"	77.926316
"1082369"	220.515808	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2K"	77.926316
"1103187"	442.038892	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2K+H"	78.933592
"1343944"	442.126507	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+DMSO+H"	79.021207
"1015754"	446.165676	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2ACN+H"	83.060376
"1525496"	447.159308	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+IsoProp+Na+H"	84.054008
"990848"	223.586476	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+2ACN+2H"	84.067652
"1591551"	448.073928	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+K+HCOOH"	84.968628
"1417208"	478.105438	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+H+CF3COOH"	115.000138
"1151878"	244.099751	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+3ACN+2H"	125.094202
"1697782"	495.131985	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+NH4+CF3COOH"	132.026685
"1635256"	500.08738	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+Na+CF3COOH"	136.98208
"1581483"	516.06132	"C11240"	"Rufloxacin"	"C17H18FN3O3S"	"363.1053"	"M+K+CF3COOH"	152.95602
"803101"	910.5459	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M"	0
"982101"	891.52751	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-H2O-H"	-19.01839
"71435"	606.023324	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M-3H"	-3.021828
"508810"	909.538624	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M-3H"	-3.021828
"886612"	302.508024	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-3H"	-3.021828
"10654"	909.538624	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M-2H"	-2.014552
"443653"	1364.811574	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M-2H"	-2.014552
"824735"	454.265674	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-2H"	-2.014552
"85821"	1820.084524	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M-H"	-1.007276
"527567"	2730.630424	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M-H"	-1.007276
"904641"	909.538624	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-H"	-1.007276
"56829"	1837.111071	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M-2H+NH4"	16.019271
"496754"	2747.656971	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M-2H+NH4"	16.019271
"868359"	926.565171	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-2H+NH4"	16.019271
"37352"	1842.066466	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M-2H+Na"	20.974666
"472783"	2752.612366	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M-2H+Na"	20.974666
"851438"	931.520566	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-2H+Na"	20.974666
"1627535"	931.520566	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Na-2H"	20.974666
"108805"	927.526963	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M-H+Cl"	33.962126
"549705"	1382.799913	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M-H+Cl"	33.962126
"942654"	472.254013	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-H+Cl"	33.962126
"282145"	1856.061202	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+Cl"	34.969402
"673959"	2766.607102	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+Cl"	34.969402
"1288344"	945.515302	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Cl"	34.969402
"31235"	1858.040406	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M-2H+K"	36.948606
"471245"	2768.586306	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M-2H+K"	36.948606
"847010"	947.494506	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-2H+K"	36.948606
"1569039"	947.494506	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+K-2H"	36.948606
"956920"	955.544094	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-H+HCOOH"	44.998194
"374773"	1866.090001	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+HCOOH-H"	44.998201
"357196"	1880.105651	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+Hac-H"	59.013851
"1503116"	969.559751	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Hac-H"	59.013851
"971022"	977.526051	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-H+NaCOOH"	66.980151
"122118"	945.515302	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+2Cl"	69.938804
"559852"	1400.788252	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+2Cl"	69.938804
"1035944"	490.242352	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2Cl"	69.938804
"1252604"	989.464785	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Br"	78.918885
"1318336"	991.520772	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Cl+HCOOH"	80.974872
"1331456"	1013.502729	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Cl+NaCOOH"	102.956829
"913043"	1023.531486	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M-H+CF3COOH"	112.985586
"1293762"	1059.508164	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Cl+CF3COOH"	148.962264
"1381772"	875.533224	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H-2H2O"	-35.012676
"1396968"	893.5432	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H-H2O"	-17.0027
"296772"	1822.099076	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+H"	1.007276
"689195"	2732.644976	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+H"	1.007276
"1365180"	911.553176	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H"	1.007276
"136975"	911.553176	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+2H"	2.014552
"577994"	1366.826126	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+2H"	2.014552
"1042055"	456.280226	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2H"	2.014552
"214694"	608.037876	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+3H"	3.021828
"648422"	911.553176	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+3H"	3.021828
"1166546"	304.522576	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+3H"	3.021828
"427994"	1839.125623	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+NH4"	18.033823
"791908"	2749.671523	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+NH4"	18.033823
"1684228"	928.579723	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+NH4"	18.033823
"336883"	920.0664495	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+H+NH4"	19.041099
"729304"	1375.3393995	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+H+NH4"	19.041099
"1486405"	464.7934995	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H+NH4"	19.041099
"403627"	1844.081018	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+Na"	22.989218
"764987"	2754.626918	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+Na"	22.989218
"1614179"	933.535118	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Na"	22.989218
"319840"	922.544147	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+H+Na"	23.996494
"708986"	1377.817097	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+H+Na"	23.996494
"1462437"	467.271197	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H+Na"	23.996494
"1052887"	311.84989	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2H+Na"	25.00377
"1259921"	943.579386	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+CH3OH+H"	33.033486
"382871"	1860.054958	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+K"	38.963158
"751158"	2770.600858	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+K"	38.963158
"1548109"	949.509058	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+K"	38.963158
"307473"	930.531117	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+H+K"	39.970434
"700986"	1385.804067	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+H+K"	39.970434
"1452619"	475.258167	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H+K"	39.970434
"244502"	1863.125626	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+ACN+H"	42.033826
"1219398"	952.579726	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+ACN+H"	42.033826
"1201093"	476.793501	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+ACN+2H"	43.041102
"194328"	1866.06296	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+2Na-H"	44.97116
"636806"	2776.60886	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+2Na-H"	44.97116
"1140310"	955.51706	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2Na-H"	44.97116
"185058"	933.535118	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+2Na"	45.978436
"620242"	1388.808068	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+2Na"	45.978436
"1124477"	478.262168	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2Na"	45.978436
"1406908"	319.177204	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H+2Na"	46.985712
"1435747"	957.558646	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H+HCOOH"	47.012746
"228723"	938.56814	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+3H2O+2H"	56.04448
"1520068"	971.61069	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+IsoProp+H"	61.06479
"424178"	941.522088	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+Na+K"	61.952376
"785543"	1396.795038	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+Na+K"	61.952376
"1680620"	486.249138	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Na+K"	61.952376
"265793"	1885.107568	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+ACN+Na"	64.015768
"1239960"	974.561668	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+ACN+Na"	64.015768
"1725200"	974.585193	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+NH4+HCOOH"	64.039293
"1190551"	326.504518	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+3Na"	68.967654
"1663726"	979.540588	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Na+HCOOH"	68.994688
"169133"	1898.01084	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+2K-H"	76.91904
"609421"	2808.55674	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+2K-H"	76.91904
"1097943"	987.46494	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2K-H"	76.91904
"154757"	949.509058	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"2M+2K"	77.926316
"591771"	1404.782008	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"3M+2K"	77.926316
"1079930"	494.236108	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2K"	77.926316
"1105483"	989.479492	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2K+H"	78.933592
"1345147"	989.567107	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+DMSO+H"	79.021207
"1019144"	993.606276	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2ACN+H"	83.060376
"1526336"	994.599908	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+IsoProp+Na+H"	84.054008
"990716"	497.306776	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+2ACN+2H"	84.067652
"1591661"	995.514528	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+K+HCOOH"	84.968628
"1416224"	1025.546038	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+H+CF3COOH"	115.000138
"1150895"	517.820051	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+3ACN+2H"	125.094202
"1697649"	1042.572585	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+NH4+CF3COOH"	132.026685
"1639377"	1047.52798	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+Na+CF3COOH"	136.98208
"1572475"	1063.50192	"C11242"	"Bacteriochlorophyll a"	"C55H74MgN4O6"	"910.5459"	"M+K+CF3COOH"	152.95602
"805398"	908.5302	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M"	0
"987678"	889.51181	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-H2O-H"	-19.01839
"71545"	604.679524	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M-3H"	-3.021828
"513294"	907.522924	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M-3H"	-3.021828
"888909"	301.836124	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-3H"	-3.021828
"9671"	907.522924	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M-2H"	-2.014552
"449230"	1361.788024	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M-2H"	-2.014552
"827032"	453.257824	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-2H"	-2.014552
"89211"	1816.053124	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M-H"	-1.007276
"528772"	2724.583324	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M-H"	-1.007276
"905480"	907.522924	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-H"	-1.007276
"59126"	1833.079671	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M-2H+NH4"	16.019271
"496864"	2741.609871	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M-2H+NH4"	16.019271
"873936"	924.549471	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-2H+NH4"	16.019271
"41472"	1838.035066	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M-2H+Na"	20.974666
"480305"	2746.565266	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M-2H+Na"	20.974666
"851548"	929.504866	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-2H+Na"	20.974666
"1628738"	929.504866	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Na-2H"	20.974666
"106363"	925.511263	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M-H+Cl"	33.962126
"549533"	1379.776363	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M-H+Cl"	33.962126
"939443"	471.246163	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-H+Cl"	33.962126
"276907"	1852.029802	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+Cl"	34.969402
"669328"	2760.560002	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+Cl"	34.969402
"1286352"	943.499602	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Cl"	34.969402
"29030"	1854.009006	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M-2H+K"	36.948606
"469922"	2762.539206	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M-2H+K"	36.948606
"847117"	945.478806	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-2H+K"	36.948606
"1567323"	945.478806	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+K-2H"	36.948606
"946457"	953.528394	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-H+HCOOH"	44.998194
"364669"	1862.058601	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+HCOOH-H"	44.998201
"352930"	1876.074251	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+Hac-H"	59.013851
"1500672"	967.544051	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Hac-H"	59.013851
"966026"	975.510351	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-H+NaCOOH"	66.980151
"118215"	943.499602	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+2Cl"	69.938804
"555588"	1397.764702	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+2Cl"	69.938804
"1026576"	489.234502	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2Cl"	69.938804
"1245787"	987.449085	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Br"	78.918885
"1316256"	989.505072	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Cl+HCOOH"	80.974872
"1325002"	1011.487029	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Cl+NaCOOH"	102.956829
"913882"	1021.515786	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M-H+CF3COOH"	112.985586
"1292776"	1057.492464	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Cl+CF3COOH"	148.962264
"1382125"	873.517524	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H-2H2O"	-35.012676
"1397320"	891.5275	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H-H2O"	-17.0027
"295789"	1818.067676	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+H"	1.007276
"687850"	2726.597876	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+H"	1.007276
"1365288"	909.537476	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H"	1.007276
"138181"	909.537476	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+2H"	2.014552
"578470"	1363.802576	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+2H"	2.014552
"1043624"	455.272376	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2H"	2.014552
"214804"	606.694076	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+3H"	3.021828
"647440"	909.537476	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+3H"	3.021828
"1165563"	303.850676	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+3H"	3.021828
"428835"	1835.094223	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+NH4"	18.033823
"793478"	2743.624423	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+NH4"	18.033823
"1687621"	926.564023	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+NH4"	18.033823
"335170"	918.0507495	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+H+NH4"	19.041099
"736342"	1372.3158495	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+H+NH4"	19.041099
"1490524"	463.7856495	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H+NH4"	19.041099
"404830"	1840.049618	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+Na"	22.989218
"766554"	2748.579818	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+Na"	22.989218
"1615989"	931.519418	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Na"	22.989218
"323232"	920.528447	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+H+Na"	23.996494
"709096"	1374.793547	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+H+Na"	23.996494
"1461941"	466.263347	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H+Na"	23.996494
"1053969"	311.17799	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2H+Na"	25.00377
"1257956"	941.563686	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+CH3OH+H"	33.033486
"377224"	1856.023558	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+K"	38.963158
"738908"	2764.553758	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+K"	38.963158
"1540559"	947.493358	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+K"	38.963158
"302109"	928.515417	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+H+K"	39.970434
"696720"	1382.780517	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+H+K"	39.970434
"1453818"	474.250317	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H+K"	39.970434
"245700"	1859.094226	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+ACN+H"	42.033826
"1218408"	950.564026	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+ACN+H"	42.033826
"1204114"	475.785651	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+ACN+2H"	43.041102
"195164"	1862.03156	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+2Na-H"	44.97116
"636913"	2770.56176	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+2Na-H"	44.97116
"1141511"	953.50136	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2Na-H"	44.97116
"184438"	931.519418	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+2Na"	45.978436
"624362"	1385.784518	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+2Na"	45.978436
"1124588"	477.254318	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2Na"	45.978436
"1411758"	318.505304	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H+2Na"	46.985712
"1436950"	955.542946	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H+HCOOH"	47.012746
"228833"	936.55244	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+3H2O+2H"	56.04448
"1520178"	969.59499	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+IsoProp+H"	61.06479
"423637"	939.506388	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+Na+K"	61.952376
"785409"	1393.771488	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+Na+K"	61.952376
"1680847"	485.241288	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Na+K"	61.952376
"264447"	1881.076168	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+ACN+Na"	64.015768
"1238249"	972.545968	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+ACN+Na"	64.015768
"1726772"	972.569493	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+NH4+HCOOH"	64.039293
"1190661"	325.832618	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+3Na"	68.967654
"1663112"	977.524888	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Na+HCOOH"	68.994688
"169974"	1893.97944	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+2K-H"	76.91904
"608803"	2802.50964	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+2K-H"	76.91904
"1097689"	985.44924	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2K-H"	76.91904
"154871"	947.493358	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"2M+2K"	77.926316
"593338"	1401.758458	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"3M+2K"	77.926316
"1078946"	493.228258	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2K"	77.926316
"1110332"	987.463792	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2K+H"	78.933592
"1343073"	987.551407	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+DMSO+H"	79.021207
"1017433"	991.590576	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2ACN+H"	83.060376
"1529726"	992.584208	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+IsoProp+Na+H"	84.054008
"995080"	496.298926	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+2ACN+2H"	84.067652
"1587517"	993.498828	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+K+HCOOH"	84.968628
"1417428"	1023.530338	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+H+CF3COOH"	115.000138
"1151005"	516.812201	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+3ACN+2H"	125.094202
"1698368"	1040.556885	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+NH4+CF3COOH"	132.026685
"1638394"	1045.51228	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+Na+CF3COOH"	136.98208
"1572223"	1061.48622	"C11243"	"Bacteriochlorophyll b"	"C55H72MgN4O6"	"908.5302"	"M+K+CF3COOH"	152.95602
"803321"	763.2086	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M"	0
"984508"	744.19021	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-H2O-H"	-19.01839
"68375"	507.798457333333	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M-3H"	-3.021828
"509030"	762.201324	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M-3H"	-3.021828
"890111"	253.395590666667	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-3H"	-3.021828
"8686"	762.201324	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M-2H"	-2.014552
"449342"	1143.805624	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M-2H"	-2.014552
"828237"	380.597024	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-2H"	-2.014552
"90051"	1525.409924	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M-H"	-1.007276
"531798"	2288.618524	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M-H"	-1.007276
"907778"	762.201324	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-H"	-1.007276
"59601"	1542.436471	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M-2H+NH4"	16.019271
"496243"	2305.645071	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M-2H+NH4"	16.019271
"872953"	779.227871	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-2H+NH4"	16.019271
"38668"	1547.391866	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M-2H+Na"	20.974666
"486498"	2310.600466	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M-2H+Na"	20.974666
"862598"	784.183266	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-2H+Na"	20.974666
"1633639"	784.183266	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Na-2H"	20.974666
"109559"	780.189663	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M-H+Cl"	33.962126
"548470"	1161.793963	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M-H+Cl"	33.962126
"941745"	398.585363	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-H+Cl"	33.962126
"281637"	1561.386602	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+Cl"	34.969402
"672719"	2324.595202	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+Cl"	34.969402
"1286217"	798.178002	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Cl"	34.969402
"23305"	1563.365806	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M-2H+K"	36.948606
"465052"	2326.574406	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M-2H+K"	36.948606
"845039"	800.157206	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-2H+K"	36.948606
"1565248"	800.157206	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+K-2H"	36.948606
"947660"	808.206794	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-H+HCOOH"	44.998194
"373534"	1571.415401	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+HCOOH-H"	44.998201
"354137"	1585.431051	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+Hac-H"	59.013851
"1501878"	822.222451	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Hac-H"	59.013851
"967230"	830.188751	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-H+NaCOOH"	66.980151
"116140"	798.178002	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+2Cl"	69.938804
"553515"	1179.782302	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+2Cl"	69.938804
"1025957"	416.573702	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2Cl"	69.938804
"1252826"	842.127485	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Br"	78.918885
"1310899"	844.183472	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Cl+HCOOH"	80.974872
"1321835"	866.165429	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Cl+NaCOOH"	102.956829
"912046"	876.194186	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M-H+CF3COOH"	112.985586
"1302741"	912.170864	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Cl+CF3COOH"	148.962264
"1381632"	728.195924	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H-2H2O"	-35.012676
"1395849"	746.2059	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H-H2O"	-17.0027
"297600"	1527.424476	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+H"	1.007276
"689415"	2290.633076	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+H"	1.007276
"1366130"	764.215876	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H"	1.007276
"138652"	764.215876	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+2H"	2.014552
"569831"	1145.820176	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+2H"	2.014552
"1044826"	382.611576	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2H"	2.014552
"213820"	509.813009333333	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+3H"	3.021828
"656661"	764.215876	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+3H"	3.021828
"1175520"	255.410142666667	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+3H"	3.021828
"435874"	1544.451023	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+NH4"	18.033823
"799056"	2307.659623	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+NH4"	18.033823
"1695387"	781.242423	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+NH4"	18.033823
"344881"	772.7291495	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+H+NH4"	19.041099
"733899"	1154.3334495	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+H+NH4"	19.041099
"1489904"	391.1248495	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H+NH4"	19.041099
"404940"	1549.406418	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+Na"	22.989218
"767028"	2312.615018	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+Na"	22.989218
"1606745"	786.197818	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Na"	22.989218
"317879"	775.206847	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+H+Na"	23.996494
"707502"	1156.811147	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+H+Na"	23.996494
"1462660"	393.602547	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H+Na"	23.996494
"1055182"	262.737456666667	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2H+Na"	25.00377
"1258675"	796.242086	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+CH3OH+H"	33.033486
"378347"	1565.380358	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+K"	38.963158
"740435"	2328.588958	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+K"	38.963158
"1542127"	802.171758	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+K"	38.963158
"298610"	783.193817	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+H+K"	39.970434
"694639"	1164.798117	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+H+K"	39.970434
"1449553"	401.589517	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H+K"	39.970434
"239614"	1568.451026	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+ACN+H"	42.033826
"1215240"	805.242426	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+ACN+H"	42.033826
"1202402"	403.124851	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+ACN+2H"	43.041102
"194183"	1571.38836	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+2Na-H"	44.97116
"640303"	2334.59696	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+2Na-H"	44.97116
"1143444"	808.17976	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2Na-H"	44.97116
"182724"	786.197818	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+2Na"	45.978436
"621922"	1167.802118	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+2Na"	45.978436
"1123605"	404.593518	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2Na"	45.978436
"1411874"	270.064770666667	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H+2Na"	46.985712
"1441437"	810.221346	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H+HCOOH"	47.012746
"226758"	791.23084	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+3H2O+2H"	56.04448
"1522108"	824.27339	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+IsoProp+H"	61.06479
"421065"	794.184788	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+Na+K"	61.952376
"784871"	1175.789088	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+Na+K"	61.952376
"1680227"	412.580488	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Na+K"	61.952376
"266016"	1590.432968	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+ACN+Na"	64.015768
"1239451"	827.224368	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+ACN+Na"	64.015768
"1725784"	827.247893	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+NH4+HCOOH"	64.039293
"1191865"	277.392084666667	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+3Na"	68.967654
"1662487"	832.203288	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Na+HCOOH"	68.994688
"170448"	1603.33624	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+2K-H"	76.91904
"609277"	2366.54484	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+2K-H"	76.91904
"1099257"	840.12764	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2K-H"	76.91904
"156803"	802.171758	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"2M+2K"	77.926316
"594176"	1183.776058	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"3M+2K"	77.926316
"1075776"	420.567458	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2K"	77.926316
"1103517"	842.142192	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2K+H"	78.933592
"1342088"	842.229807	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+DMSO+H"	79.021207
"1009522"	846.268976	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2ACN+H"	83.060376
"1528742"	847.262608	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+IsoProp+Na+H"	84.054008
"990815"	423.638126	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+2ACN+2H"	84.067652
"1587175"	848.177228	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+K+HCOOH"	84.968628
"1417546"	878.208738	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+H+CF3COOH"	115.000138
"1154396"	444.151401	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+3ACN+2H"	125.094202
"1699573"	895.235285	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+NH4+CF3COOH"	132.026685
"1636316"	900.19068	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+Na+CF3COOH"	136.98208
"1575253"	916.16462	"C11245"	"Glucuronosyletoposide;Etoposide glucuronide"	"C35H39O19"	"763.2086"	"M+K+CF3COOH"	152.95602
"802338"	567.3169	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M"	0
"982431"	548.29851	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-H2O-H"	-19.01839
"68485"	377.203990666667	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M-3H"	-3.021828
"509140"	566.309624	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M-3H"	-3.021828
"884754"	188.098357333333	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-3H"	-3.021828
"10982"	566.309624	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M-2H"	-2.014552
"450181"	849.968074	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M-2H"	-2.014552
"825066"	282.651174	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-2H"	-2.014552
"87974"	1133.626524	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M-H"	-1.007276
"529721"	1700.943424	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M-H"	-1.007276
"907158"	566.309624	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-H"	-1.007276
"58617"	1150.653071	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M-2H+NH4"	16.019271
"491978"	1717.969971	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M-2H+NH4"	16.019271
"871968"	583.336171	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-2H+NH4"	16.019271
"37684"	1155.608466	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M-2H+Na"	20.974666
"482714"	1722.925366	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M-2H+Na"	20.974666
"853956"	588.291566	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-2H+Na"	20.974666
"1632242"	588.291566	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Na-2H"	20.974666
"104396"	584.297963	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M-H+Cl"	33.962126
"545778"	867.956413	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M-H+Cl"	33.962126
"941860"	300.639513	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-H+Cl"	33.962126
"281138"	1169.603202	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+Cl"	34.969402
"672829"	1736.920102	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+Cl"	34.969402
"1287178"	602.286302	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Cl"	34.969402
"22321"	1171.582406	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M-2H+K"	36.948606
"466255"	1738.899306	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M-2H+K"	36.948606
"844056"	604.265506	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-2H+K"	36.948606
"1564264"	604.265506	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+K-2H"	36.948606
"947770"	612.315094	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-H+HCOOH"	44.998194
"372551"	1179.632001	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+HCOOH-H"	44.998201
"355340"	1193.647651	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+Hac-H"	59.013851
"1500894"	626.330751	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Hac-H"	59.013851
"965153"	634.297051	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-H+NaCOOH"	66.980151
"112970"	602.286302	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+2Cl"	69.938804
"550587"	885.944752	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+2Cl"	69.938804
"1024610"	318.627852	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2Cl"	69.938804
"1250750"	646.235785	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Br"	78.918885
"1311009"	648.291772	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Cl+HCOOH"	80.974872
"1320606"	670.273729	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Cl+NaCOOH"	102.956829
"912031"	680.302486	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M-H+CF3COOH"	112.985586
"1303945"	716.279164	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Cl+CF3COOH"	148.962264
"1382473"	532.304224	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H-2H2O"	-35.012676
"1394136"	550.3142	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H-H2O"	-17.0027
"296009"	1135.641076	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+H"	1.007276
"688430"	1702.957976	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+H"	1.007276
"1362594"	568.324176	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H"	1.007276
"137670"	568.324176	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+2H"	2.014552
"578325"	851.982626	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+2H"	2.014552
"1046032"	284.665726	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2H"	2.014552
"215025"	379.218542666667	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+3H"	3.021828
"654585"	568.324176	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+3H"	3.021828
"1176359"	190.112909333333	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+3H"	3.021828
"435984"	1152.667623	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+NH4"	18.033823
"796979"	1719.984523	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+NH4"	18.033823
"1694403"	585.350723	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+NH4"	18.033823
"344503"	576.8374495	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+H+NH4"	19.041099
"734010"	860.4958995	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+H+NH4"	19.041099
"1490379"	293.1789995	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H+NH4"	19.041099
"405413"	1157.623018	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+Na"	22.989218
"767502"	1724.939918	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+Na"	22.989218
"1605761"	590.306118	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Na"	22.989218
"317989"	579.315147	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+H+Na"	23.996494
"708225"	862.973597	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+H+Na"	23.996494
"1462285"	295.656697	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H+Na"	23.996494
"1055292"	197.440223333333	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2H+Na"	25.00377
"1258788"	600.350386	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+CH3OH+H"	33.033486
"378580"	1173.596958	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+K"	38.963158
"740911"	1740.913858	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+K"	38.963158
"1545153"	606.280058	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+K"	38.963158
"302694"	587.302117	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+H+K"	39.970434
"694749"	870.960567	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+H+K"	39.970434
"1449663"	303.643667	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H+K"	39.970434
"243733"	1176.667626	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+ACN+H"	42.033826
"1216443"	609.350726	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+ACN+H"	42.033826
"1200324"	305.179001	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+ACN+2H"	43.041102
"197570"	1179.60496	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+2Na-H"	44.97116
"639319"	1746.92186	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+2Na-H"	44.97116
"1143554"	612.28806	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2Na-H"	44.97116
"182834"	590.306118	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+2Na"	45.978436
"622396"	873.964568	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+2Na"	45.978436
"1126631"	306.647668	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2Na"	45.978436
"1411863"	204.767537333333	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H+2Na"	46.985712
"1439360"	614.329646	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H+HCOOH"	47.012746
"227961"	595.33914	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+3H2O+2H"	56.04448
"1520031"	628.38169	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+IsoProp+H"	61.06479
"420081"	598.293088	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+Na+K"	61.952376
"785100"	881.951538	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+Na+K"	61.952376
"1680216"	314.634638	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Na+K"	61.952376
"265761"	1198.649568	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+ACN+Na"	64.015768
"1238834"	631.332668	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+ACN+Na"	64.015768
"1725529"	631.356193	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+NH4+HCOOH"	64.039293
"1191611"	212.094851333333	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+3Na"	68.967654
"1661868"	636.311588	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Na+HCOOH"	68.994688
"169464"	1211.55284	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+2K-H"	76.91904
"609751"	1778.86974	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+2K-H"	76.91904
"1098639"	644.23594	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2K-H"	76.91904
"155457"	606.280058	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"2M+2K"	77.926316
"593557"	889.938508	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"3M+2K"	77.926316
"1081351"	322.621608	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2K"	77.926316
"1103626"	646.250492	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2K+H"	78.933592
"1340013"	646.338107	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+DMSO+H"	79.021207
"1008539"	650.377276	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2ACN+H"	83.060376
"1528851"	651.370908	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+IsoProp+Na+H"	84.054008
"990925"	325.692276	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+2ACN+2H"	84.067652
"1587372"	652.285528	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+K+HCOOH"	84.968628
"1418749"	682.317038	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+H+CF3COOH"	115.000138
"1154506"	346.205551	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+3ACN+2H"	125.094202
"1698224"	699.343585	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+NH4+CF3COOH"	132.026685
"1635333"	704.29898	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+Na+CF3COOH"	136.98208
"1575363"	720.27292	"C11246"	"6alpha-Glucuronosylhyodeoxycholate"	"C30H47O10"	"567.3169"	"M+K+CF3COOH"	152.95602
"802448"	409.1005	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M"	0
"984728"	390.08211	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-H2O-H"	-19.01839
"68595"	271.726390666667	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M-3H"	-3.021828
"505970"	408.093224	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M-3H"	-3.021828
"881584"	135.359557333333	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-3H"	-3.021828
"7812"	408.093224	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M-2H"	-2.014552
"449562"	612.643474	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M-2H"	-2.014552
"825176"	203.542974	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-2H"	-2.014552
"88448"	817.193724	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M-H"	-1.007276
"529101"	1226.294224	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M-H"	-1.007276
"907268"	408.093224	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-H"	-1.007276
"60184"	834.220271	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M-2H+NH4"	16.019271
"493181"	1243.320771	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M-2H+NH4"	16.019271
"873171"	425.119771	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-2H+NH4"	16.019271
"37794"	839.175666	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M-2H+Na"	20.974666
"482460"	1248.276166	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M-2H+Na"	20.974666
"854066"	430.075166	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-2H+Na"	20.974666
"1627973"	430.075166	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Na-2H"	20.974666
"97941"	426.081563	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M-H+Cl"	33.962126
"544064"	630.631813	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M-H+Cl"	33.962126
"942743"	221.531313	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-H+Cl"	33.962126
"280396"	853.170402	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+Cl"	34.969402
"673912"	1262.270902	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+Cl"	34.969402
"1284250"	444.069902	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Cl"	34.969402
"20243"	855.149606	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M-2H+K"	36.948606
"463084"	1264.250106	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M-2H+K"	36.948606
"844165"	446.049106	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-2H+K"	36.948606
"1564373"	446.049106	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+K-2H"	36.948606
"947880"	454.098694	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-H+HCOOH"	44.998194
"373754"	863.199201	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+HCOOH-H"	44.998201
"355450"	877.214851	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+Hac-H"	59.013851
"1502097"	468.114351	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Hac-H"	59.013851
"966356"	476.080651	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-H+NaCOOH"	66.980151
"119640"	444.069902	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+2Cl"	69.938804
"551177"	648.620152	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+2Cl"	69.938804
"1024720"	239.519652	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2Cl"	69.938804
"1250860"	488.019385	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Br"	78.918885
"1312212"	490.075372	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Cl+HCOOH"	80.974872
"1321080"	512.057329	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Cl+NaCOOH"	102.956829
"911894"	522.086086	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M-H+CF3COOH"	112.985586
"1303689"	558.062764	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Cl+CF3COOH"	148.962264
"1382338"	374.087824	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H-2H2O"	-35.012676
"1394245"	392.0978	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H-H2O"	-17.0027
"296118"	819.208276	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+H"	1.007276
"686354"	1228.308776	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+H"	1.007276
"1361610"	410.107776	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H"	1.007276
"136685"	410.107776	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+2H"	2.014552
"575153"	614.658026	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+2H"	2.014552
"1041035"	205.557526	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2H"	2.014552
"205290"	273.740942666667	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+3H"	3.021828
"651415"	410.107776	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+3H"	3.021828
"1169176"	137.374109333333	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+3H"	3.021828
"429530"	836.234823	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+NH4"	18.033823
"794901"	1245.335323	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+NH4"	18.033823
"1693420"	427.134323	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+NH4"	18.033823
"340603"	418.6210495	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+H+NH4"	19.041099
"730838"	623.1712995	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+H+NH4"	19.041099
"1484658"	214.0707995	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H+NH4"	19.041099
"398963"	841.190218	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+Na"	22.989218
"761052"	1250.290718	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+Na"	22.989218
"1604168"	432.089718	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Na"	22.989218
"318098"	421.098747	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+H+Na"	23.996494
"708332"	625.648997	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+H+Na"	23.996494
"1462272"	216.548497	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H+Na"	23.996494
"1052963"	144.701423333333	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2H+Na"	25.00377
"1258898"	442.133986	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+CH3OH+H"	33.033486
"378567"	857.164158	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+K"	38.963158
"739316"	1266.264658	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+K"	38.963158
"1540886"	448.063658	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+K"	38.963158
"299395"	429.085717	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+H+K"	39.970434
"692059"	633.635967	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+H+K"	39.970434
"1446002"	224.535467	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H+K"	39.970434
"237647"	860.234826	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+ACN+H"	42.033826
"1215460"	451.134326	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+ACN+H"	42.033826
"1198248"	226.070801	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+ACN+2H"	43.041102
"194401"	863.17216	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+2Na-H"	44.97116
"636148"	1272.27266	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+2Na-H"	44.97116
"1142935"	454.07166	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2Na-H"	44.97116
"185131"	432.089718	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+2Na"	45.978436
"619226"	636.639968	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+2Na"	45.978436
"1126012"	227.539468	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2Na"	45.978436
"1411728"	152.028737333333	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H+2Na"	46.985712
"1438376"	456.113246	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H+HCOOH"	47.012746
"226976"	437.12274	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+3H2O+2H"	56.04448
"1516131"	470.16529	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+IsoProp+H"	61.06479
"418005"	440.076688	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+Na+K"	61.952376
"784967"	644.626938	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+Na+K"	61.952376
"1680690"	235.526438	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Na+K"	61.952376
"265504"	882.216768	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+ACN+Na"	64.015768
"1240644"	473.116268	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+ACN+Na"	64.015768
"1726004"	473.139793	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+NH4+HCOOH"	64.039293
"1189898"	159.356051333333	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+3Na"	68.967654
"1661978"	478.095188	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Na+HCOOH"	68.994688
"169209"	895.12004	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+2K-H"	76.91904
"609131"	1304.22054	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+2K-H"	76.91904
"1095833"	486.01954	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2K-H"	76.91904
"155201"	448.063658	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"2M+2K"	77.926316
"592573"	652.613908	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"3M+2K"	77.926316
"1081097"	243.513408	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2K"	77.926316
"1103738"	488.034092	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2K+H"	78.933592
"1340123"	488.121707	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+DMSO+H"	79.021207
"1007556"	492.160876	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2ACN+H"	83.060376
"1530054"	493.154508	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+IsoProp+Na+H"	84.054008
"990910"	246.584076	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+2ACN+2H"	84.067652
"1587478"	494.069128	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+K+HCOOH"	84.968628
"1417766"	524.100638	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+H+CF3COOH"	115.000138
"1153523"	267.097351	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+3ACN+2H"	125.094202
"1698334"	541.127185	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+NH4+CF3COOH"	132.026685
"1634471"	546.08258	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+Na+CF3COOH"	136.98208
"1575473"	562.05652	"C11248"	"DU-6859;Sitafloxacin"	"C19H18ClF2N3O3"	"409.1005"	"M+K+CF3COOH"	152.95602
"802922"	84.0939	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M"	0
"984838"	65.07551	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-H2O-H"	-19.01839
"73079"	55.055324	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M-3H"	-3.021828
"511547"	83.086624	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M-3H"	-3.021828
"892628"	27.024024	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-3H"	-3.021828
"11202"	83.086624	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M-2H"	-2.014552
"454411"	125.133574	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M-2H"	-2.014552
"827474"	41.039674	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-2H"	-2.014552
"91475"	167.180524	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M-H"	-1.007276
"532495"	251.274424	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M-H"	-1.007276
"907013"	83.086624	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-H"	-1.007276
"57015"	184.207071	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M-2H+NH4"	16.019271
"493291"	268.300971	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M-2H+NH4"	16.019271
"874374"	100.113171	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-2H+NH4"	16.019271
"38997"	189.162466	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M-2H+Na"	20.974666
"476370"	273.256366	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M-2H+Na"	20.974666
"854174"	105.068566	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-2H+Na"	20.974666
"1626990"	105.068566	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Na-2H"	20.974666
"99144"	101.074963	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M-H+Cl"	33.962126
"545268"	143.121913	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M-H+Cl"	33.962126
"942563"	59.028013	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-H+Cl"	33.962126
"276254"	203.157202	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+Cl"	34.969402
"673052"	287.251102	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+Cl"	34.969402
"1285454"	119.063302	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Cl"	34.969402
"30198"	205.136406	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M-2H+K"	36.948606
"468661"	289.230306	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M-2H+K"	36.948606
"846463"	121.042506	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-2H+K"	36.948606
"1569952"	121.042506	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+K-2H"	36.948606
"953459"	129.092094	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-H+HCOOH"	44.998194
"375808"	213.186001	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+HCOOH-H"	44.998201
"358840"	227.201651	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+Hac-H"	59.013851
"1498927"	143.107751	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Hac-H"	59.013851
"968654"	151.074051	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-H+NaCOOH"	66.980151
"121574"	119.063302	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+2Cl"	69.938804
"560406"	161.110252	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+2Cl"	69.938804
"1030298"	77.016352	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2Cl"	69.938804
"1252793"	163.012785	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Br"	78.918885
"1310136"	165.068772	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Cl+HCOOH"	80.974872
"1320708"	187.050729	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Cl+NaCOOH"	102.956829
"916509"	197.079486	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M-H+CF3COOH"	112.985586
"1303926"	233.056164	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Cl+CF3COOH"	148.962264
"1382743"	49.081224	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H-2H2O"	-35.012676
"1396540"	67.0912	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H-H2O"	-17.0027
"294041"	169.195076	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+H"	1.007276
"690472"	253.288976	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+H"	1.007276
"1365000"	85.101176	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H"	1.007276
"140803"	85.101176	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+2H"	2.014552
"579274"	127.148126	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+2H"	2.014552
"1046250"	43.054226	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2H"	2.014552
"211963"	57.069876	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+3H"	3.021828
"651526"	85.101176	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+3H"	3.021828
"1167463"	29.038576	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+3H"	3.021828
"427818"	186.221623	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+NH4"	18.033823
"792825"	270.315523	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+NH4"	18.033823
"1688063"	102.127723	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+NH4"	18.033823
"342537"	93.6144495	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+H+NH4"	19.041099
"732042"	135.6613995	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+H+NH4"	19.041099
"1485863"	51.5674995	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H+NH4"	19.041099
"402355"	191.177018	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+Na"	22.989218
"761163"	275.270918	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+Na"	22.989218
"1607077"	107.083118	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Na"	22.989218
"318209"	96.092147	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+H+Na"	23.996494
"708445"	138.139097	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+H+Na"	23.996494
"1462382"	54.045197	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H+Na"	23.996494
"1056601"	36.36589	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2H+Na"	25.00377
"1259375"	117.127386	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+CH3OH+H"	33.033486
"380138"	207.150958	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+K"	38.963158
"742228"	291.244858	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+K"	38.963158
"1543549"	123.057058	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+K"	38.963158
"299997"	104.079117	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+H+K"	39.970434
"695336"	146.126067	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+H+K"	39.970434
"1447088"	62.032167	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H+K"	39.970434
"242862"	210.221626	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+ACN+H"	42.033826
"1214476"	126.127726	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+ACN+H"	42.033826
"1200546"	63.567501	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+ACN+2H"	43.041102
"196697"	213.15896	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+2Na-H"	44.97116
"637353"	297.25286	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+2Na-H"	44.97116
"1138672"	129.06506	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2Na-H"	44.97116
"184148"	107.083118	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+2Na"	45.978436
"617150"	149.130068	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+2Na"	45.978436
"1120657"	65.036168	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2Na"	45.978436
"1410745"	43.693204	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H+2Na"	46.985712
"1440673"	131.106646	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H+HCOOH"	47.012746
"228181"	112.11614	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+3H2O+2H"	56.04448
"1521712"	145.15869	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+IsoProp+H"	61.06479
"417022"	115.070088	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+Na+K"	61.952376
"785649"	157.117038	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+Na+K"	61.952376
"1679824"	73.023138	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Na+K"	61.952376
"266344"	232.203568	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+ACN+Na"	64.015768
"1239053"	148.109668	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+ACN+Na"	64.015768
"1724658"	148.133193	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+NH4+HCOOH"	64.039293
"1191834"	51.020518	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+3Na"	68.967654
"1663183"	153.088588	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Na+HCOOH"	68.994688
"167861"	245.10684	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+2K-H"	76.91904
"608878"	329.20074	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+2K-H"	76.91904
"1094848"	161.01294	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2K-H"	76.91904
"154947"	123.057058	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"2M+2K"	77.926316
"593414"	165.104008	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"3M+2K"	77.926316
"1081207"	81.010108	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2K"	77.926316
"1104938"	163.027492	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2K+H"	78.933592
"1341322"	163.115107	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+DMSO+H"	79.021207
"1007664"	167.154276	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2ACN+H"	83.060376
"1525911"	168.147908	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+IsoProp+Na+H"	84.054008
"998800"	84.080776	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+2ACN+2H"	84.067652
"1587588"	169.062528	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+K+HCOOH"	84.968628
"1417876"	199.094038	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+H+CF3COOH"	115.000138
"1150350"	104.594051	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+3ACN+2H"	125.094202
"1698443"	216.120585	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+NH4+CF3COOH"	132.026685
"1634460"	221.07598	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+Na+CF3COOH"	136.98208
"1575583"	237.04992	"C11249"	"Cyclohexane"	"C6H12"	"84.0939"	"M+K+CF3COOH"	152.95602
"802668"	371.1733	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M"	0
"982761"	352.15491	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-H2O-H"	-19.01839
"68816"	246.441590666667	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M-3H"	-3.021828
"511657"	370.166024	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M-3H"	-3.021828
"887271"	122.717157333333	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-3H"	-3.021828
"4752"	370.166024	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M-2H"	-2.014552
"451972"	555.752674	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M-2H"	-2.014552
"829410"	184.579374	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-2H"	-2.014552
"92317"	741.339324	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M-H"	-1.007276
"530054"	1112.512624	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M-H"	-1.007276
"903844"	370.166024	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-H"	-1.007276
"57125"	758.365871	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M-2H+NH4"	16.019271
"496684"	1129.539171	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M-2H+NH4"	16.019271
"873394"	387.192571	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-2H+NH4"	16.019271
"38013"	763.321266	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M-2H+Na"	20.974666
"477574"	1134.494566	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M-2H+Na"	20.974666
"854284"	392.147966	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-2H+Na"	20.974666
"1623820"	392.147966	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Na-2H"	20.974666
"95245"	388.154363	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M-H+Cl"	33.962126
"541004"	573.741013	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M-H+Cl"	33.962126
"939626"	202.567713	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-H+Cl"	33.962126
"278553"	777.316002	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+Cl"	34.969402
"672067"	1148.489302	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+Cl"	34.969402
"1285563"	406.142702	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Cl"	34.969402
"27026"	779.295206	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M-2H+K"	36.948606
"465491"	1150.468506	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M-2H+K"	36.948606
"841106"	408.121906	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-2H+K"	36.948606
"1561312"	408.121906	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+K-2H"	36.948606
"945914"	416.171494	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-H+HCOOH"	44.998194
"373973"	787.344801	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+HCOOH-H"	44.998201
"356763"	801.360451	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+Hac-H"	59.013851
"1503410"	430.187151	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Hac-H"	59.013851
"971316"	438.153451	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-H+NaCOOH"	66.980151
"116580"	406.142702	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+2Cl"	69.938804
"560516"	591.729352	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+2Cl"	69.938804
"1027126"	220.556052	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2Cl"	69.938804
"1251445"	450.092185	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Br"	78.918885
"1311339"	452.148172	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Cl+HCOOH"	80.974872
"1320818"	474.130129	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Cl+NaCOOH"	102.956829
"916619"	484.158886	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M-H+CF3COOH"	112.985586
"1302448"	520.135564	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Cl+CF3COOH"	148.962264
"1380974"	336.160624	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H-2H2O"	-35.012676
"1398299"	354.1706	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H-H2O"	-17.0027
"297065"	743.353876	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+H"	1.007276
"689853"	1114.527176	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+H"	1.007276
"1362921"	372.180576	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H"	1.007276
"138000"	372.180576	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+2H"	2.014552
"578654"	557.767226	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+2H"	2.014552
"1043079"	186.593926	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2H"	2.014552
"214260"	248.456142666667	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+3H"	3.021828
"647989"	372.180576	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+3H"	3.021828
"1169032"	124.731709333333	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+3H"	3.021828
"430845"	760.380423	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+NH4"	18.033823
"792934"	1131.553723	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+NH4"	18.033823
"1689266"	389.207123	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+NH4"	18.033823
"341917"	380.6938495	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+H+NH4"	19.041099
"733245"	566.2804995	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+H+NH4"	19.041099
"1488159"	195.1071995	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H+NH4"	19.041099
"402465"	765.335818	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+Na"	22.989218
"767470"	1136.509118	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+Na"	22.989218
"1606094"	394.162518	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Na"	22.989218
"316132"	383.171547	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+H+Na"	23.996494
"707824"	568.758197	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+H+Na"	23.996494
"1461640"	197.584897	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H+Na"	23.996494
"1053673"	132.059023333333	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2H+Na"	25.00377
"1257376"	404.206786	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+CH3OH+H"	33.033486
"377815"	781.309758	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+K"	38.963158
"739296"	1152.483058	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+K"	38.963158
"1542931"	410.136458	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+K"	38.963158
"299135"	391.158517	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+H+K"	39.970434
"691796"	576.745167	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+H+K"	39.970434
"1447076"	205.571867	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H+K"	39.970434
"238597"	784.380426	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+ACN+H"	42.033826
"1214586"	413.207126	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+ACN+H"	42.033826
"1200656"	207.107201	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+ACN+2H"	43.041102
"193527"	787.31776	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+2Na-H"	44.97116
"638556"	1158.49106	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+2Na-H"	44.97116
"1142791"	416.14446	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2Na-H"	44.97116
"178792"	394.162518	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+2Na"	45.978436
"620540"	579.749168	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+2Na"	45.978436
"1126234"	208.575868	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2Na"	45.978436
"1407573"	139.386337333333	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H+2Na"	46.985712
"1438595"	418.186046	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H+HCOOH"	47.012746
"230478"	399.19554	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+3H2O+2H"	56.04448
"1518541"	432.23809	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+IsoProp+H"	61.06479
"417133"	402.149488	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+Na+K"	61.952376
"785023"	587.736138	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+Na+K"	61.952376
"1678841"	216.562838	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Na+K"	61.952376
"261715"	806.362368	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+ACN+Na"	64.015768
"1240257"	435.189068	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+ACN+Na"	64.015768
"1724039"	435.212593	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+NH4+HCOOH"	64.039293
"1190847"	146.713651333333	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+3Na"	68.967654
"1661107"	440.167988	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Na+HCOOH"	68.994688
"167971"	819.26564	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+2K-H"	76.91904
"606440"	1190.43894	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+2K-H"	76.91904
"1098242"	448.09234	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2K-H"	76.91904
"154692"	410.136458	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"2M+2K"	77.926316
"591703"	595.723108	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"3M+2K"	77.926316
"1081320"	224.549808	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2K"	77.926316
"1110883"	450.106892	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2K+H"	78.933592
"1348362"	450.194507	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+DMSO+H"	79.021207
"1013243"	454.233676	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2ACN+H"	83.060376
"1530275"	455.227308	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+IsoProp+Na+H"	84.054008
"1000733"	227.620476	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+2ACN+2H"	84.067652
"1600704"	456.141928	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+K+HCOOH"	84.968628
"1419079"	486.173438	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+H+CF3COOH"	115.000138
"1152649"	248.133751	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+3ACN+2H"	125.094202
"1697826"	503.199985	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+NH4+CF3COOH"	132.026685
"1636760"	508.15538	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+Na+CF3COOH"	136.98208
"1585534"	524.12932	"C11250"	"Demecolcine;Colcemid"	"C21H25NO5"	"371.1733"	"M+K+CF3COOH"	152.95602
"806058"	624.5845	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M"	0
"977767"	605.56611	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-H2O-H"	-19.01839
"66009"	415.382390666667	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M-3H"	-3.021828
"509580"	623.577224	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M-3H"	-3.021828
"887381"	207.187557333333	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-3H"	-3.021828
"4862"	623.577224	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M-2H"	-2.014552
"455126"	935.869474	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M-2H"	-2.014552
"828425"	311.284974	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-2H"	-2.014552
"92673"	1248.161724	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M-H"	-1.007276
"529070"	1872.746224	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M-H"	-1.007276
"902861"	623.577224	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-H"	-1.007276
"57235"	1265.188271	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M-2H+NH4"	16.019271
"496794"	1889.772771	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M-2H+NH4"	16.019271
"875690"	640.603771	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-2H+NH4"	16.019271
"35936"	1270.143666	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M-2H+Na"	20.974666
"478777"	1894.728166	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M-2H+Na"	20.974666
"854394"	645.559166	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-2H+Na"	20.974666
"1622835"	645.559166	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Na-2H"	20.974666
"97176"	641.565563	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M-H+Cl"	33.962126
"541114"	953.857813	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M-H+Cl"	33.962126
"939004"	329.273313	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-H+Cl"	33.962126
"282070"	1284.138402	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+Cl"	34.969402
"673271"	1908.722902	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+Cl"	34.969402
"1285673"	659.553902	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Cl"	34.969402
"24949"	1286.117606	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M-2H+K"	36.948606
"464507"	1910.702106	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M-2H+K"	36.948606
"839029"	661.533106	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-2H+K"	36.948606
"1560329"	661.533106	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+K-2H"	36.948606
"946388"	669.582694	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-H+HCOOH"	44.998194
"365333"	1294.167201	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+HCOOH-H"	44.998201
"351406"	1308.182851	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+Hac-H"	59.013851
"1503520"	683.598351	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Hac-H"	59.013851
"968874"	691.564651	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-H+NaCOOH"	66.980151
"117783"	659.553902	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+2Cl"	69.938804
"563908"	971.846152	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+2Cl"	69.938804
"1030517"	347.261652	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2Cl"	69.938804
"1251919"	703.503385	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Br"	78.918885
"1312543"	705.559372	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Cl+HCOOH"	80.974872
"1322388"	727.541329	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Cl+NaCOOH"	102.956829
"921103"	737.570086	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M-H+CF3COOH"	112.985586
"1302193"	773.546764	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Cl+CF3COOH"	148.962264
"1381449"	589.571824	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H-2H2O"	-35.012676
"1397488"	607.5818	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H-H2O"	-17.0027
"297785"	1250.176276	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+H"	1.007276
"689962"	1874.760776	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+H"	1.007276
"1363032"	625.591776	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H"	1.007276
"137018"	625.591776	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+2H"	2.014552
"577670"	937.884026	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+2H"	2.014552
"1047563"	313.299526	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2H"	2.014552
"213279"	417.396942666667	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+3H"	3.021828
"648465"	625.591776	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+3H"	3.021828
"1165862"	209.202109333333	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+3H"	3.021828
"432051"	1267.202823	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+NH4"	18.033823
"795233"	1891.787323	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+NH4"	18.033823
"1692656"	642.618323	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+NH4"	18.033823
"340935"	634.1050495	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+H+NH4"	19.041099
"732261"	946.3972995	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+H+NH4"	19.041099
"1488268"	321.8127995	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H+NH4"	19.041099
"403667"	1272.158218	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+Na"	22.989218
"764665"	1896.742718	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+Na"	22.989218
"1605109"	647.573718	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Na"	22.989218
"319523"	636.582747	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+H+Na"	23.996494
"707406"	948.874997	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+H+Na"	23.996494
"1461874"	324.290497	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H+Na"	23.996494
"1053542"	216.529423333333	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2H+Na"	25.00377
"1258014"	657.617986	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+CH3OH+H"	33.033486
"378536"	1288.132158	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+K"	38.963158
"739895"	1912.716658	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+K"	38.963158
"1544500"	663.547658	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+K"	38.963158
"305686"	644.569717	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+H+K"	39.970434
"697378"	956.861967	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+H+K"	39.970434
"1452290"	332.277467	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H+K"	39.970434
"241989"	1291.202826	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+ACN+H"	42.033826
"1216882"	666.618326	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+ACN+H"	42.033826
"1200768"	333.812801	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+ACN+2H"	43.041102
"194732"	1294.14016	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+2Na-H"	44.97116
"641582"	1918.72466	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+2Na-H"	44.97116
"1145941"	669.55566	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2Na-H"	44.97116
"185461"	647.573718	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+2Na"	45.978436
"625023"	959.865968	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+2Na"	45.978436
"1130721"	335.281468	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2Na"	45.978436
"1407683"	223.856737333333	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H+2Na"	46.985712
"1438705"	671.597246	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H+HCOOH"	47.012746
"229495"	652.60674	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+3H2O+2H"	56.04448
"1518651"	685.64929	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+IsoProp+H"	61.06479
"418336"	655.560688	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+Na+K"	61.952376
"784446"	967.852938	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+Na+K"	61.952376
"1678589"	343.268438	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Na+K"	61.952376
"264382"	1313.184768	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+ACN+Na"	64.015768
"1239640"	688.600268	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+ACN+Na"	64.015768
"1724149"	688.623793	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+NH4+HCOOH"	64.039293
"1189866"	231.184051333333	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+3Na"	68.967654
"1661584"	693.579188	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Na+HCOOH"	68.994688
"166626"	1326.08804	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+2K-H"	76.91904
"606915"	1950.67254	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+2K-H"	76.91904
"1099083"	701.50354	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2K-H"	76.91904
"152982"	663.547658	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"2M+2K"	77.926316
"590719"	975.839908	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"3M+2K"	77.926316
"1082646"	351.255408	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2K"	77.926316
"1111723"	703.518092	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2K+H"	78.933592
"1349565"	703.605707	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+DMSO+H"	79.021207
"1014813"	707.644876	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2ACN+H"	83.060376
"1534761"	708.638508	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+IsoProp+Na+H"	84.054008
"1000479"	354.326076	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+2ACN+2H"	84.067652
"1601909"	709.553128	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+K+HCOOH"	84.968628
"1418096"	739.584638	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+H+CF3COOH"	115.000138
"1152759"	374.839351	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+3ACN+2H"	125.094202
"1698300"	756.611185	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+NH4+CF3COOH"	132.026685
"1636870"	761.56658	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+Na+CF3COOH"	136.98208
"1585644"	777.54052	"C11251"	"Cholesteryl palmitate"	"C43H76O2"	"624.5845"	"M+K+CF3COOH"	152.95602
"802888"	205.9901	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M"	0
"982981"	186.97171	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-H2O-H"	-19.01839
"69036"	136.319457333333	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M-3H"	-3.021828
"512970"	204.982824	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M-3H"	-3.021828
"893688"	67.6560906666667	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-3H"	-3.021828
"12629"	204.982824	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M-2H"	-2.014552
"451094"	307.977874	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M-2H"	-2.014552
"829991"	101.987774	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-2H"	-2.014552
"89981"	410.972924	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M-H"	-1.007276
"526261"	616.963024	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M-H"	-1.007276
"902967"	204.982824	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-H"	-1.007276
"57343"	427.999471	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M-2H+NH4"	16.019271
"492529"	633.989571	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M-2H+NH4"	16.019271
"867052"	222.009371	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-2H+NH4"	16.019271
"36046"	432.954866	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M-2H+Na"	20.974666
"474513"	638.944966	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M-2H+Na"	20.974666
"853411"	226.964766	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-2H+Na"	20.974666
"1622945"	226.964766	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Na-2H"	20.974666
"98379"	222.971163	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M-H+Cl"	33.962126
"541224"	325.966213	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M-H+Cl"	33.962126
"939114"	119.976113	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-H+Cl"	33.962126
"278772"	446.949602	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+Cl"	34.969402
"672287"	652.939702	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+Cl"	34.969402
"1285781"	240.959502	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Cl"	34.969402
"28337"	448.928806	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M-2H+K"	36.948606
"462430"	654.918906	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M-2H+K"	36.948606
"840229"	242.938706	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-2H+K"	36.948606
"1568090"	242.938706	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+K-2H"	36.948606
"946129"	250.988294	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-H+HCOOH"	44.998194
"363983"	456.978401	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+HCOOH-H"	44.998201
"349329"	470.994051	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+Hac-H"	59.013851
"1499256"	265.003951	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Hac-H"	59.013851
"968985"	272.970251	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-H+NaCOOH"	66.980151
"117892"	240.959502	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+2Cl"	69.938804
"564019"	343.954552	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+2Cl"	69.938804
"1034637"	137.964452	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2Cl"	69.938804
"1251299"	284.908985	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Br"	78.918885
"1312653"	286.964972	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Cl+HCOOH"	80.974872
"1327966"	308.946929	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Cl+NaCOOH"	102.956829
"920118"	318.975686	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M-H+CF3COOH"	112.985586
"1300844"	354.952364	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Cl+CF3COOH"	148.962264
"1377183"	170.977424	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H-2H2O"	-35.012676
"1392495"	188.9874	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H-H2O"	-17.0027
"294369"	412.987476	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+H"	1.007276
"688248"	618.977576	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+H"	1.007276
"1360952"	206.997376	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H"	1.007276
"137851"	206.997376	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+2H"	2.014552
"577413"	309.992426	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+2H"	2.014552
"1044395"	104.002326	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2H"	2.014552
"213390"	138.334009333333	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+3H"	3.021828
"649303"	206.997376	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+3H"	3.021828
"1165241"	69.6706426666667	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+3H"	3.021828
"431067"	430.014023	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+NH4"	18.033823
"793156"	636.004123	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+NH4"	18.033823
"1687299"	224.023923	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+NH4"	18.033823
"337763"	215.5106495	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+H+NH4"	19.041099
"731277"	318.5056995	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+H+NH4"	19.041099
"1486189"	112.5155995	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H+NH4"	19.041099
"401590"	434.969418	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+Na"	22.989218
"762582"	640.959518	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+Na"	22.989218
"1605583"	228.979318	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Na"	22.989218
"315619"	217.988347	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+H+Na"	23.996494
"708773"	320.983397	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+H+Na"	23.996494
"1465875"	114.993297	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H+Na"	23.996494
"1054747"	76.9979566666667	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2H+Na"	25.00377
"1259706"	239.023586	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+CH3OH+H"	33.033486
"380468"	450.943358	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+K"	38.963158
"744015"	656.933458	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+K"	38.963158
"1543516"	244.953258	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+K"	38.963158
"302515"	225.975317	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+H+K"	39.970434
"697488"	328.970367	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+H+K"	39.970434
"1454587"	122.980267	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H+K"	39.970434
"242096"	454.014026	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+ACN+H"	42.033826
"1213712"	248.023926	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+ACN+H"	42.033826
"1200877"	124.515601	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+ACN+2H"	43.041102
"194842"	456.95136	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+2Na-H"	44.97116
"642791"	662.94146	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+2Na-H"	44.97116
"1143013"	250.96126	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2Na-H"	44.97116
"182291"	228.979318	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+2Na"	45.978436
"625133"	331.974368	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+2Na"	45.978436
"1129983"	125.984268	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2Na"	45.978436
"1407793"	84.3252706666667	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H+2Na"	46.985712
"1442094"	253.002846	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H+HCOOH"	47.012746
"229603"	234.01234	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+3H2O+2H"	56.04448
"1517664"	267.05489	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+IsoProp+H"	61.06479
"419539"	236.966288	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+Na+K"	61.952376
"784556"	339.961338	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+Na+K"	61.952376
"1677972"	133.971238	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Na+K"	61.952376
"266556"	475.995968	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+ACN+Na"	64.015768
"1240966"	270.005868	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+ACN+Na"	64.015768
"1723532"	270.029393	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+NH4+HCOOH"	64.039293
"1188155"	91.6525846666667	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+3Na"	68.967654
"1662424"	274.984788	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Na+HCOOH"	68.994688
"169289"	488.89924	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+2K-H"	76.91904
"607754"	694.88934	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+2K-H"	76.91904
"1095547"	282.90914	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2K-H"	76.91904
"154186"	244.953258	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"2M+2K"	77.926316
"595208"	347.948308	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"3M+2K"	77.926316
"1083937"	141.958208	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2K"	77.926316
"1115001"	284.923692	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2K+H"	78.933592
"1349070"	285.011307	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+DMSO+H"	79.021207
"1015652"	289.050476	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2ACN+H"	83.060376
"1535601"	290.044108	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+IsoProp+Na+H"	84.054008
"999130"	145.028876	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+2ACN+2H"	84.067652
"1598010"	290.958728	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+K+HCOOH"	84.968628
"1419298"	320.990238	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+H+CF3COOH"	115.000138
"1147638"	165.542151	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+3ACN+2H"	125.094202
"1698046"	338.016785	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+NH4+CF3COOH"	132.026685
"1641355"	342.97218	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+Na+CF3COOH"	136.98208
"1575913"	358.94612	"C11252"	"Chloroneb"	"C8H8Cl2O2"	"205.9901"	"M+K+CF3COOH"	152.95602
"816121"	532.0723	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M"	0
"983092"	513.05391	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-H2O-H"	-19.01839
"66960"	353.707590666667	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M-3H"	-3.021828
"513080"	531.065024	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M-3H"	-3.021828
"884321"	176.350157333333	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-3H"	-3.021828
"2530"	531.065024	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M-2H"	-2.014552
"453757"	797.101174	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M-2H"	-2.014552
"827912"	265.028874	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-2H"	-2.014552
"88998"	1063.137324	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M-H"	-1.007276
"527464"	1595.209624	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M-H"	-1.007276
"906360"	531.065024	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-H"	-1.007276
"56360"	1080.163871	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M-2H+NH4"	16.019271
"492639"	1612.236171	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M-2H+NH4"	16.019271
"870442"	548.091571	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-2H+NH4"	16.019271
"36156"	1085.119266	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M-2H+Na"	20.974666
"472800"	1617.191566	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M-2H+Na"	20.974666
"854614"	553.046966	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-2H+Na"	20.974666
"1626335"	553.046966	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Na-2H"	20.974666
"98489"	549.053363	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M-H+Cl"	33.962126
"544614"	815.089513	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M-H+Cl"	33.962126
"932662"	283.017213	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-H+Cl"	33.962126
"277787"	1099.114002	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+Cl"	34.969402
"672398"	1631.186302	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+Cl"	34.969402
"1288283"	567.041702	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Cl"	34.969402
"31310"	1101.093206	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M-2H+K"	36.948606
"463633"	1633.165506	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M-2H+K"	36.948606
"845443"	569.020906	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-2H+K"	36.948606
"1568200"	569.020906	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+K-2H"	36.948606
"947335"	577.070494	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-H+HCOOH"	44.998194
"365188"	1109.142801	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+HCOOH-H"	44.998201
"349439"	1123.158451	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+Hac-H"	59.013851
"1506294"	591.086151	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Hac-H"	59.013851
"969095"	599.052451	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-H+NaCOOH"	66.980151
"118002"	567.041702	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+2Cl"	69.938804
"564495"	833.077852	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+2Cl"	69.938804
"1028550"	301.005552	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2Cl"	69.938804
"1250315"	610.991185	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Br"	78.918885
"1313857"	613.047172	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Cl+HCOOH"	80.974872
"1328076"	635.029129	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Cl+NaCOOH"	102.956829
"921322"	645.057886	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M-H+CF3COOH"	112.985586
"1298038"	681.034564	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Cl+CF3COOH"	148.962264
"1377291"	497.059624	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H-2H2O"	-35.012676
"1389325"	515.0696	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H-H2O"	-17.0027
"294479"	1065.151876	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+H"	1.007276
"685806"	1597.224176	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+H"	1.007276
"1359968"	533.079576	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H"	1.007276
"137230"	533.079576	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+2H"	2.014552
"578616"	799.115726	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+2H"	2.014552
"1045598"	267.043426	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2H"	2.014552
"214592"	355.722142666667	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+3H"	3.021828
"650872"	533.079576	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+3H"	3.021828
"1164620"	178.364709333333	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+3H"	3.021828
"431177"	1082.178423	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+NH4"	18.033823
"792171"	1614.250723	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+NH4"	18.033823
"1689594"	550.106123	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+NH4"	18.033823
"335685"	541.5928495	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+H+NH4"	19.041099
"729200"	807.6289995	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+H+NH4"	19.041099
"1489582"	275.5566995	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H+NH4"	19.041099
"401698"	1087.133818	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+Na"	22.989218
"763785"	1619.206118	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+Na"	22.989218
"1607516"	555.061518	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Na"	22.989218
"320833"	544.070547	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+H+Na"	23.996494
"709976"	810.106697	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+H+Na"	23.996494
"1467077"	278.034397	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H+Na"	23.996494
"1056314"	185.692023333333	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2H+Na"	25.00377
"1262002"	565.105786	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+CH3OH+H"	33.033486
"379482"	1103.107758	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+K"	38.963158
"745947"	1635.180058	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+K"	38.963158
"1542533"	571.035458	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+K"	38.963158
"302625"	552.057517	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+H+K"	39.970434
"697598"	818.093667	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+H+K"	39.970434
"1449230"	286.021367	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H+K"	39.970434
"243301"	1106.178426	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+ACN+H"	42.033826
"1216009"	574.106126	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+ACN+H"	42.033826
"1203174"	287.556701	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+ACN+2H"	43.041102
"199326"	1109.11576	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+2Na-H"	44.97116
"642535"	1641.18806	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+2Na-H"	44.97116
"1146732"	577.04346	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2Na-H"	44.97116
"185682"	555.061518	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+2Na"	45.978436
"628006"	821.097668	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+2Na"	45.978436
"1130619"	289.025368	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2Na"	45.978436
"1407903"	193.019337333333	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H+2Na"	46.985712
"1444514"	579.085046	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H+HCOOH"	47.012746
"231899"	560.09454	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+3H2O+2H"	56.04448
"1522148"	593.13709	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+IsoProp+H"	61.06479
"419648"	563.048488	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+Na+K"	61.952376
"782112"	829.084638	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+Na+K"	61.952376
"1677354"	297.012338	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Na+K"	61.952376
"263873"	1128.160368	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+ACN+Na"	64.015768
"1237674"	596.088068	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+ACN+Na"	64.015768
"1721820"	596.111593	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+NH4+HCOOH"	64.039293
"1188997"	200.346651333333	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+3Na"	68.967654
"1662535"	601.066988	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Na+HCOOH"	68.994688
"167576"	1141.06364	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+2K-H"	76.91904
"607134"	1673.13594	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+2K-H"	76.91904
"1095291"	608.99134	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2K-H"	76.91904
"152109"	571.035458	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"2M+2K"	77.926316
"590211"	837.071608	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"3M+2K"	77.926316
"1082380"	304.999308	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2K"	77.926316
"1112674"	611.005892	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2K+H"	78.933592
"1349058"	611.093507	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+DMSO+H"	79.021207
"1016855"	615.132676	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2ACN+H"	83.060376
"1534984"	616.126308	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+IsoProp+Na+H"	84.054008
"1001428"	308.069976	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+2ACN+2H"	84.067652
"1600307"	617.040928	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+K+HCOOH"	84.968628
"1418315"	647.072438	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+H+CF3COOH"	115.000138
"1148599"	328.583251	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+3ACN+2H"	125.094202
"1698520"	664.098985	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+NH4+CF3COOH"	132.026685
"1641465"	669.05438	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+Na+CF3COOH"	136.98208
"1573835"	685.02832	"C11253"	"Cefsulodin"	"C22H20N4O8S2"	"532.0723"	"M+K+CF3COOH"	152.95602
"813682"	492.0904	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M"	0
"984299"	473.07201	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-H2O-H"	-19.01839
"67070"	327.052990666667	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M-3H"	-3.021828
"513190"	491.083124	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M-3H"	-3.021828
"890992"	163.022857333333	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-3H"	-3.021828
"8473"	491.083124	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M-2H"	-2.014552
"455563"	737.128324	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M-2H"	-2.014552
"831548"	245.037924	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-2H"	-2.014552
"91660"	983.173524	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M-H"	-1.007276
"531949"	1475.263924	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M-H"	-1.007276
"904284"	491.083124	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-H"	-1.007276
"53191"	1000.200071	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M-2H+NH4"	16.019271
"497123"	1492.290471	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M-2H+NH4"	16.019271
"873833"	508.109671	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-2H+NH4"	16.019271
"36266"	1005.155466	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M-2H+Na"	20.974666
"474733"	1497.245866	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M-2H+Na"	20.974666
"854724"	513.065066	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-2H+Na"	20.974666
"1628632"	513.065066	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Na-2H"	20.974666
"102974"	509.071463	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M-H+Cl"	33.962126
"549586"	755.116663	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M-H+Cl"	33.962126
"932773"	263.026263	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-H+Cl"	33.962126
"276805"	1019.150202	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+Cl"	34.969402
"671414"	1511.240602	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+Cl"	34.969402
"1286004"	527.059802	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Cl"	34.969402
"30745"	1021.129406	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M-2H+K"	36.948606
"468118"	1513.219806	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M-2H+K"	36.948606
"845553"	529.039006	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-2H+K"	36.948606
"1567217"	529.039006	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+K-2H"	36.948606
"949632"	537.088594	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-H+HCOOH"	44.998194
"365663"	1029.179001	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+HCOOH-H"	44.998201
"349549"	1043.194651	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+Hac-H"	59.013851
"1506043"	551.104251	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Hac-H"	59.013851
"970301"	559.070551	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-H+NaCOOH"	66.980151
"117018"	527.059802	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+2Cl"	69.938804
"564846"	773.105002	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+2Cl"	69.938804
"1034128"	281.014602	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2Cl"	69.938804
"1252612"	571.009285	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Br"	78.918885
"1315060"	573.065272	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Cl+HCOOH"	80.974872
"1330373"	595.047229	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Cl+NaCOOH"	102.956829
"922525"	605.075986	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M-H+CF3COOH"	112.985586
"1294868"	641.052664	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Cl+CF3COOH"	148.962264
"1377401"	457.077724	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H-2H2O"	-35.012676
"1388706"	475.0877	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H-H2O"	-17.0027
"285839"	985.188076	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+H"	1.007276
"684820"	1477.278476	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+H"	1.007276
"1355703"	493.097676	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H"	1.007276
"132965"	493.097676	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+2H"	2.014552
"574714"	739.142876	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+2H"	2.014552
"1046801"	247.052476	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2H"	2.014552
"211421"	329.067542666667	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+3H"	3.021828
"648795"	493.097676	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+3H"	3.021828
"1169108"	165.037409333333	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+3H"	3.021828
"430193"	1002.214623	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+NH4"	18.033823
"789365"	1494.305023	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+NH4"	18.033823
"1686423"	510.124223	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+NH4"	18.033823
"332513"	501.6109495	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+H+NH4"	19.041099
"727487"	747.6561495	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+H+NH4"	19.041099
"1482036"	255.5657495	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H+NH4"	19.041099
"397435"	1007.170018	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+Na"	22.989218
"761710"	1499.260418	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+Na"	22.989218
"1603250"	515.079618	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Na"	22.989218
"316933"	504.088647	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+H+Na"	23.996494
"709360"	750.133847	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+H+Na"	23.996494
"1462691"	258.043447	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H+Na"	23.996494
"1056059"	172.364723333333	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2H+Na"	25.00377
"1261019"	525.123886	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+CH3OH+H"	33.033486
"378863"	1023.143958	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+K"	38.963158
"742777"	1515.234358	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+K"	38.963158
"1544829"	531.053558	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+K"	38.963158
"304194"	512.075617	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+H+K"	39.970434
"694792"	758.120817	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+H+K"	39.970434
"1451529"	266.030417	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H+K"	39.970434
"240131"	1026.214626	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+ACN+H"	42.033826
"1216120"	534.124226	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+ACN+H"	42.033826
"1202192"	267.565751	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+ACN+2H"	43.041102
"200531"	1029.15196	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+2Na-H"	44.97116
"636811"	1521.24236	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+2Na-H"	44.97116
"1140318"	537.06156	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2Na-H"	44.97116
"187742"	515.079618	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+2Na"	45.978436
"627302"	761.124818	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+2Na"	45.978436
"1130566"	269.034418	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2Na"	45.978436
"1410200"	179.692037333333	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H+2Na"	46.985712
"1442314"	539.103146	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H+HCOOH"	47.012746
"229824"	520.11264	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+3H2O+2H"	56.04448
"1522259"	553.15519	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+IsoProp+H"	61.06479
"423650"	523.066588	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+Na+K"	61.952376
"783678"	769.111788	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+Na+K"	61.952376
"1678192"	277.021388	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Na+K"	61.952376
"264348"	1048.196568	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+ACN+Na"	64.015768
"1238150"	556.106168	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+ACN+Na"	64.015768
"1724117"	556.129693	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+NH4+HCOOH"	64.039293
"1189470"	187.019351333333	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+3Na"	68.967654
"1659364"	561.085088	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Na+HCOOH"	68.994688
"168413"	1061.09984	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+2K-H"	76.91904
"606880"	1553.19024	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+2K-H"	76.91904
"1094309"	569.00944	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2K-H"	76.91904
"152949"	531.053558	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"2M+2K"	77.926316
"595429"	777.098758	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"3M+2K"	77.926316
"1081037"	285.008358	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2K"	77.926316
"1112784"	571.023992	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2K+H"	78.933592
"1349532"	571.111607	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+DMSO+H"	79.021207
"1019765"	575.150776	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2ACN+H"	83.060376
"1538377"	576.144408	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+IsoProp+Na+H"	84.054008
"1001540"	288.079026	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+2ACN+2H"	84.067652
"1599322"	577.059028	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+K+HCOOH"	84.968628
"1417332"	607.090538	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+H+CF3COOH"	115.000138
"1147618"	308.592301	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+3ACN+2H"	125.094202
"1697413"	624.117085	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+NH4+CF3COOH"	132.026685
"1641575"	629.07248	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+Na+CF3COOH"	136.98208
"1573945"	645.04642	"C11254"	"Carmine;Carminic acid"	"C22H20O13"	"492.0904"	"M+K+CF3COOH"	152.95602
"815860"	235.0667	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M"	0
"987688"	216.04831	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-H2O-H"	-19.01839
"74835"	155.703857333333	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M-3H"	-3.021828
"513301"	234.059424	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M-3H"	-3.021828
"895115"	77.3482906666667	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-3H"	-3.021828
"14053"	234.059424	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M-2H"	-2.014552
"455073"	351.592774	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M-2H"	-2.014552
"831780"	116.526074	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-2H"	-2.014552
"91649"	469.126124	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M-H"	-1.007276
"531695"	704.192824	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M-H"	-1.007276
"909010"	234.059424	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-H"	-1.007276
"53301"	486.152671	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M-2H+NH4"	16.019271
"497233"	721.219371	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M-2H+NH4"	16.019271
"870662"	251.085971	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-2H+NH4"	16.019271
"36376"	491.108066	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M-2H+Na"	20.974666
"474843"	726.174766	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M-2H+Na"	20.974666
"851553"	256.041366	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-2H+Na"	20.974666
"1625462"	256.041366	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Na-2H"	20.974666
"103084"	252.047763	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M-H+Cl"	33.962126
"546901"	369.581113	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M-H+Cl"	33.962126
"936163"	134.514413	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-H+Cl"	33.962126
"280195"	505.102802	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+Cl"	34.969402
"672617"	740.169502	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+Cl"	34.969402
"1287452"	270.036102	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Cl"	34.969402
"31346"	507.082006	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M-2H+K"	36.948606
"468227"	742.148706	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M-2H+K"	36.948606
"844937"	272.015306	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-2H+K"	36.948606
"1566234"	272.015306	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+K-2H"	36.948606
"950838"	280.064894	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-H+HCOOH"	44.998194
"370150"	515.131601	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+HCOOH-H"	44.998201
"349659"	529.147251	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+Hac-H"	59.013851
"1503966"	294.080551	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Hac-H"	59.013851
"972476"	302.046851	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-H+NaCOOH"	66.980151
"117131"	270.036102	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+2Cl"	69.938804
"558880"	387.569452	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+2Cl"	69.938804
"1030958"	152.502752	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2Cl"	69.938804
"1250535"	313.985585	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Br"	78.918885
"1309704"	316.041572	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Cl+HCOOH"	80.974872
"1322827"	338.023529	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Cl+NaCOOH"	102.956829
"920449"	348.052286	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M-H+CF3COOH"	112.985586
"1293885"	384.028964	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Cl+CF3COOH"	148.962264
"1376418"	200.054024	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H-2H2O"	-35.012676
"1390637"	218.064	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H-H2O"	-17.0027
"285949"	471.140676	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+H"	1.007276
"678370"	706.207376	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+H"	1.007276
"1355813"	236.073976	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H"	1.007276
"130159"	236.073976	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+2H"	2.014552
"573730"	353.607326	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+2H"	2.014552
"1046183"	118.540626	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2H"	2.014552
"213719"	157.718409333333	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+3H"	3.021828
"648176"	236.073976	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+3H"	3.021828
"1167031"	79.3628426666667	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+3H"	3.021828
"430302"	488.167223	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+NH4"	18.033823
"788381"	723.233923	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+NH4"	18.033823
"1686533"	253.100523	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+NH4"	18.033823
"332988"	244.5872495	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+H+NH4"	19.041099
"727233"	362.1205995	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+H+NH4"	19.041099
"1481053"	127.0538995	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H+NH4"	19.041099
"399731"	493.122618	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+Na"	22.989218
"760728"	728.189318	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+Na"	22.989218
"1606637"	258.055918	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Na"	22.989218
"315584"	247.064947	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+H+Na"	23.996494
"711292"	364.598297	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+H+Na"	23.996494
"1461381"	129.531597	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H+Na"	23.996494
"1057263"	86.6901566666667	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2H+Na"	25.00377
"1260400"	268.100186	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+CH3OH+H"	33.033486
"378609"	509.096558	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+K"	38.963158
"742887"	744.163258	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+K"	38.963158
"1542753"	274.029858	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+K"	38.963158
"305398"	255.051917	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+H+K"	39.970434
"695632"	372.585267	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+H+K"	39.970434
"1451640"	137.518567	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H+K"	39.970434
"240241"	512.167226	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+ACN+H"	42.033826
"1212951"	277.100526	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+ACN+H"	42.033826
"1200115"	139.053901	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+ACN+2H"	43.041102
"194079"	515.10456	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+2Na-H"	44.97116
"634733"	750.17126	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+2Na-H"	44.97116
"1136055"	280.03786	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2Na-H"	44.97116
"185904"	258.055918	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+2Na"	45.978436
"619999"	375.589268	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+2Na"	45.978436
"1128611"	140.522568	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2Na"	45.978436
"1407031"	94.0174706666667	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H+2Na"	46.985712
"1438054"	282.079446	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H+HCOOH"	47.012746
"229933"	263.08894	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+3H2O+2H"	56.04448
"1522005"	296.13149	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+IsoProp+H"	61.06479
"422787"	266.042888	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+Na+K"	61.952376
"783547"	383.576238	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+Na+K"	61.952376
"1677206"	148.509538	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Na+K"	61.952376
"263726"	534.149168	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+ACN+Na"	64.015768
"1237528"	299.082468	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+ACN+Na"	64.015768
"1719849"	299.105993	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+NH4+HCOOH"	64.039293
"1188485"	101.344784666667	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+3Na"	68.967654
"1659475"	304.061388	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Na+HCOOH"	68.994688
"167429"	547.05244	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+2K-H"	76.91904
"606990"	782.11914	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+2K-H"	76.91904
"1096243"	311.98574	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2K-H"	76.91904
"155612"	274.029858	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"2M+2K"	77.926316
"593348"	391.563208	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"3M+2K"	77.926316
"1082235"	156.496508	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2K"	77.926316
"1112166"	314.000292	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2K+H"	78.933592
"1348549"	314.087907	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+DMSO+H"	79.021207
"1018172"	318.127076	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2ACN+H"	83.060376
"1537388"	319.120708	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+IsoProp+Na+H"	84.054008
"1001650"	159.567176	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+2ACN+2H"	84.067652
"1596153"	320.035328	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+K+HCOOH"	84.968628
"1415256"	350.066838	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+H+CF3COOH"	115.000138
"1153202"	180.080451	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+3ACN+2H"	125.094202
"1697767"	367.093385	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+NH4+CF3COOH"	132.026685
"1648247"	372.04878	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+Na+CF3COOH"	136.98208
"1582804"	388.02272	"C11255"	"Carboxin"	"C12H13NO2S"	"235.0667"	"M+K+CF3COOH"	152.95602
"803692"	362.2206	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M"	0
"983421"	343.20221	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-H2O-H"	-19.01839
"74945"	240.473124	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M-3H"	-3.021828
"513411"	361.213324	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M-3H"	-3.021828
"891212"	119.732924	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-3H"	-3.021828
"15420"	361.213324	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M-2H"	-2.014552
"455063"	542.323624	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M-2H"	-2.014552
"831160"	180.103024	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-2H"	-2.014552
"91880"	723.433924	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M-H"	-1.007276
"532168"	1085.654524	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M-H"	-1.007276
"909240"	361.213324	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-H"	-1.007276
"53411"	740.460471	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M-2H+NH4"	16.019271
"495156"	1102.681071	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M-2H+NH4"	16.019271
"870772"	378.239871	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-2H+NH4"	16.019271
"33570"	745.415866	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M-2H+Na"	20.974666
"474224"	1107.636466	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M-2H+Na"	20.974666
"850568"	383.195266	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-2H+Na"	20.974666
"1624478"	383.195266	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Na-2H"	20.974666
"105381"	379.201663	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M-H+Cl"	33.962126
"542757"	560.311963	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M-H+Cl"	33.962126
"935180"	198.091363	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-H+Cl"	33.962126
"279208"	759.410602	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+Cl"	34.969402
"669448"	1121.631202	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+Cl"	34.969402
"1284036"	397.190002	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Cl"	34.969402
"26591"	761.389806	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M-2H+K"	36.948606
"470160"	1123.610406	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M-2H+K"	36.948606
"839580"	399.169206	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-2H+K"	36.948606
"1567438"	399.169206	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+K-2H"	36.948606
"949855"	407.218794	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-H+HCOOH"	44.998194
"370260"	769.439401	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+HCOOH-H"	44.998201
"349769"	783.455051	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+Hac-H"	59.013851
"1505534"	421.234451	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Hac-H"	59.013851
"971614"	429.200751	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-H+NaCOOH"	66.980151
"117241"	397.190002	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+2Cl"	69.938804
"558990"	578.300302	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+2Cl"	69.938804
"1027788"	216.079702	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2Cl"	69.938804
"1250645"	441.139485	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Br"	78.918885
"1310907"	443.195472	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Cl+HCOOH"	80.974872
"1323301"	465.177429	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Cl+NaCOOH"	102.956829
"919466"	475.206186	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M-H+CF3COOH"	112.985586
"1297275"	511.182864	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Cl+CF3COOH"	148.962264
"1377621"	327.207924	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H-2H2O"	-35.012676
"1387832"	345.2179	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H-H2O"	-17.0027
"290434"	725.448476	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+H"	1.007276
"683948"	1087.669076	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+H"	1.007276
"1354831"	363.227876	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H"	1.007276
"130269"	363.227876	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+2H"	2.014552
"573840"	544.338176	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+2H"	2.014552
"1044836"	182.117576	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2H"	2.014552
"214194"	242.487676	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+3H"	3.021828
"649016"	363.227876	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+3H"	3.021828
"1169328"	121.747476	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+3H"	3.021828
"430413"	742.475023	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+NH4"	18.033823
"789220"	1104.695623	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+NH4"	18.033823
"1683726"	380.254423	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+NH4"	18.033823
"334922"	371.7411495	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+H+NH4"	19.041099
"729531"	552.8514495	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+H+NH4"	19.041099
"1482258"	190.6308495	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H+NH4"	19.041099
"397659"	747.430418	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+Na"	22.989218
"763026"	1109.651018	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+Na"	22.989218
"1608934"	385.209818	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Na"	22.989218
"318971"	374.218847	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+H+Na"	23.996494
"707632"	555.329147	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+H+Na"	23.996494
"1461485"	193.108547	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H+Na"	23.996494
"1053728"	129.07479	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2H+Na"	25.00377
"1258688"	395.254086	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+CH3OH+H"	33.033486
"377200"	763.404358	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+K"	38.963158
"741904"	1125.624958	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+K"	38.963158
"1541040"	401.183758	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+K"	38.963158
"302227"	382.205817	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+H+K"	39.970434
"693555"	563.316117	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+H+K"	39.970434
"1450656"	201.095517	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H+K"	39.970434
"238165"	766.475026	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+ACN+H"	42.033826
"1214154"	404.254426	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+ACN+H"	42.033826
"1199132"	202.630851	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+ACN+2H"	43.041102
"195283"	769.41236	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+2Na-H"	44.97116
"637030"	1131.63296	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+2Na-H"	44.97116
"1138352"	407.19176	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2Na-H"	44.97116
"176174"	385.209818	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+2Na"	45.978436
"620110"	566.320118	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+2Na"	45.978436
"1129574"	204.099518	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2Na"	45.978436
"1407142"	136.402104	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H+2Na"	46.985712
"1441445"	409.233346	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H+HCOOH"	47.012746
"233326"	390.24284	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+3H2O+2H"	56.04448
"1521387"	423.28539	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+IsoProp+H"	61.06479
"422654"	393.196788	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+Na+K"	61.952376
"783536"	574.307088	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+Na+K"	61.952376
"1677682"	212.086488	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Na+K"	61.952376
"264931"	788.456968	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+ACN+Na"	64.015768
"1238731"	426.236368	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+ACN+Na"	64.015768
"1721055"	426.259893	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+NH4+HCOOH"	64.039293
"1186408"	143.729418	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+3Na"	68.967654
"1661771"	431.215288	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Na+HCOOH"	68.994688
"166447"	801.36024	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+2K-H"	76.91904
"606007"	1163.58084	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+2K-H"	76.91904
"1097081"	439.13964	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2K-H"	76.91904
"156085"	401.183758	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"2M+2K"	77.926316
"593458"	582.294058	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"3M+2K"	77.926316
"1081252"	220.073458	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2K"	77.926316
"1113369"	441.154192	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2K+H"	78.933592
"1351269"	441.241807	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+DMSO+H"	79.021207
"1019376"	445.280976	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2ACN+H"	83.060376
"1538717"	446.274608	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+IsoProp+Na+H"	84.054008
"1003827"	223.144126	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+2ACN+2H"	84.067652
"1596263"	447.189228	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+K+HCOOH"	84.968628
"1416459"	477.220738	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+H+CF3COOH"	115.000138
"1153312"	243.657401	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+3ACN+2H"	125.094202
"1697227"	494.247285	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+NH4+CF3COOH"	132.026685
"1648357"	499.20268	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+Na+CF3COOH"	136.98208
"1582914"	515.17662	"C11256"	"Calpeptin;N-Cbz-leu-nleu-al"	"C20H30N2O4"	"362.2206"	"M+K+CF3COOH"	152.95602
"803438"	994.2491	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M"	0
"986811"	975.23071	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-H2O-H"	-19.01839
"72866"	661.825457333333	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M-3H"	-3.021828
"516801"	993.241824	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M-3H"	-3.021828
"891322"	330.409090666667	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-3H"	-3.021828
"15125"	993.241824	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M-2H"	-2.014552
"453835"	1490.366374	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M-2H"	-2.014552
"830300"	496.117274	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-2H"	-2.014552
"92478"	1987.490924	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M-H"	-1.007276
"533011"	2981.740024	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M-H"	-1.007276
"909355"	993.241824	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-H"	-1.007276
"58989"	2004.517471	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M-2H+NH4"	16.019271
"497456"	2998.766571	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M-2H+NH4"	16.019271
"878417"	1010.268371	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-2H+NH4"	16.019271
"36596"	2009.472866	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M-2H+Na"	20.974666
"474091"	3003.721966	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M-2H+Na"	20.974666
"861617"	1015.223766	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-2H+Na"	20.974666
"1627870"	1015.223766	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Na-2H"	20.974666
"106588"	1011.230163	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M-H+Cl"	33.962126
"548217"	1508.354713	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M-H+Cl"	33.962126
"939671"	514.105613	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-H+Cl"	33.962126
"278960"	2023.467602	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+Cl"	34.969402
"670651"	3017.716702	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+Cl"	34.969402
"1286582"	1029.218502	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Cl"	34.969402
"29986"	2025.446806	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M-2H+K"	36.948606
"468449"	3019.695906	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M-2H+K"	36.948606
"845158"	1031.197706	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-2H+K"	36.948606
"1563177"	1031.197706	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+K-2H"	36.948606
"953246"	1039.247294	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-H+HCOOH"	44.998194
"370370"	2033.496401	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+HCOOH-H"	44.998201
"352066"	2047.512051	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+Hac-H"	59.013851
"1506008"	1053.262951	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Hac-H"	59.013851
"972453"	1061.229251	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-H+NaCOOH"	66.980151
"118445"	1029.218502	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+2Cl"	69.938804
"556914"	1526.343052	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+2Cl"	69.938804
"1025713"	532.093952	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2Cl"	69.938804
"1251851"	1073.167985	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Br"	78.918885
"1317215"	1075.223972	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Cl+HCOOH"	80.974872
"1324140"	1097.205929	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Cl+NaCOOH"	102.956829
"917389"	1107.234686	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M-H+CF3COOH"	112.985586
"1301755"	1143.211364	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Cl+CF3COOH"	148.962264
"1376638"	959.236424	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H-2H2O"	-35.012676
"1388671"	977.2464	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H-H2O"	-17.0027
"286169"	1989.505476	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+H"	1.007276
"676403"	2983.754576	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+H"	1.007276
"1355305"	995.256376	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H"	1.007276
"130015"	995.256376	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+2H"	2.014552
"571764"	1492.380926	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+2H"	2.014552
"1046039"	498.131826	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2H"	2.014552
"215397"	663.840009333333	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+3H"	3.021828
"651311"	995.256376	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+3H"	3.021828
"1169437"	332.423642666667	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+3H"	3.021828
"433803"	2006.532023	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+NH4"	18.033823
"795891"	3000.781123	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+NH4"	18.033823
"1690034"	1012.282923	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+NH4"	18.033823
"337219"	1003.7696495	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+H+NH4"	19.041099
"730733"	1500.8941995	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+H+NH4"	19.041099
"1488929"	506.6450995	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H+NH4"	19.041099
"401048"	2011.487418	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+Na"	22.989218
"765323"	3005.736518	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+Na"	22.989218
"1613418"	1017.238318	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Na"	22.989218
"325641"	1006.247347	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+H+Na"	23.996494
"708596"	1503.371897	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+H+Na"	23.996494
"1466428"	509.122797	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H+Na"	23.996494
"1054931"	339.750956666667	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2H+Na"	25.00377
"1258069"	1027.282586	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+CH3OH+H"	33.033486
"378830"	2027.461358	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+K"	38.963158
"742014"	3021.710458	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+K"	38.963158
"1542973"	1033.212258	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+K"	38.963158
"299786"	1014.234317	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+H+K"	39.970434
"693665"	1511.358867	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+H+K"	39.970434
"1450768"	517.109767	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H+K"	39.970434
"240462"	2030.532026	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+ACN+H"	42.033826
"1213172"	1036.282926	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+ACN+H"	42.033826
"1200336"	518.645101	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+ACN+2H"	43.041102
"195395"	2033.46936	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+2Na-H"	44.97116
"630948"	3027.71846	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+2Na-H"	44.97116
"1135547"	1039.22026	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2Na-H"	44.97116
"174462"	1017.238318	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+2Na"	45.978436
"617305"	1514.362868	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+2Na"	45.978436
"1127008"	520.113768	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2Na"	45.978436
"1407252"	347.078270666667	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H+2Na"	46.985712
"1440462"	1041.261846	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H+HCOOH"	47.012746
"234166"	1022.27134	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+3H2O+2H"	56.04448
"1520406"	1055.31389	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+IsoProp+H"	61.06479
"422891"	1025.225288	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+Na+K"	61.952376
"783278"	1522.349838	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+Na+K"	61.952376
"1676695"	528.100738	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Na+K"	61.952376
"263947"	2052.513968	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+ACN+Na"	64.015768
"1238476"	1058.264868	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+ACN+Na"	64.015768
"1717889"	1058.288393	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+NH4+HCOOH"	64.039293
"1179028"	354.405584666667	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+3Na"	68.967654
"1654228"	1063.243788	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Na+HCOOH"	68.994688
"163279"	2065.41724	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+2K-H"	76.91904
"602835"	3059.66634	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+2K-H"	76.91904
"1087350"	1071.16814	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2K-H"	76.91904
"150728"	1033.212258	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"2M+2K"	77.926316
"591383"	1530.336808	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"3M+2K"	77.926316
"1075896"	536.087708	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2K"	77.926316
"1106915"	1073.182692	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2K+H"	78.933592
"1345489"	1073.270307	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+DMSO+H"	79.021207
"1017297"	1077.309476	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2ACN+H"	83.060376
"1539191"	1078.303108	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+IsoProp+Na+H"	84.054008
"1005519"	539.158376	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+2ACN+2H"	84.067652
"1600746"	1079.217728	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+K+HCOOH"	84.968628
"1415471"	1109.249238	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+H+CF3COOH"	115.000138
"1153422"	559.671651	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+3ACN+2H"	125.094202
"1697503"	1126.275785	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+NH4+CF3COOH"	132.026685
"1635344"	1131.23118	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+Na+CF3COOH"	136.98208
"1573182"	1147.20512	"C11257"	"Calcein AM"	"C46H46N2O23"	"994.2491"	"M+K+CF3COOH"	152.95602
"803548"	337.179	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M"	0
"983641"	318.16061	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-H2O-H"	-19.01839
"77352"	223.778724	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M-3H"	-3.021828
"513630"	336.171724	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M-3H"	-3.021828
"894961"	111.385724	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-3H"	-3.021828
"14382"	336.171724	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M-2H"	-2.014552
"453824"	504.761224	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M-2H"	-2.014552
"830650"	167.582224	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-2H"	-2.014552
"89549"	673.350724	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M-H"	-1.007276
"530202"	1010.529724	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M-H"	-1.007276
"904725"	336.171724	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-H"	-1.007276
"55815"	690.377271	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M-2H+NH4"	16.019271
"494284"	1027.556271	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M-2H+NH4"	16.019271
"872086"	353.198271	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-2H+NH4"	16.019271
"33551"	695.332666	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M-2H+Na"	20.974666
"473230"	1032.511666	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M-2H+Na"	20.974666
"861732"	358.153666	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-2H+Na"	20.974666
"1629075"	358.153666	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Na-2H"	20.974666
"106700"	354.160063	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M-H+Cl"	33.962126
"548449"	522.749563	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M-H+Cl"	33.962126
"939784"	185.570563	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-H+Cl"	33.962126
"281377"	709.327402	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+Cl"	34.969402
"671853"	1046.506402	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+Cl"	34.969402
"1287419"	372.148402	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Cl"	34.969402
"28998"	711.306606	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M-2H+K"	36.948606
"466372"	1048.485606	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M-2H+K"	36.948606
"843079"	374.127606	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-2H+K"	36.948606
"1568391"	374.127606	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+K-2H"	36.948606
"953356"	382.177194	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-H+HCOOH"	44.998194
"374853"	719.356201	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+HCOOH-H"	44.998201
"357279"	733.371851	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+Hac-H"	59.013851
"1503197"	396.192851	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Hac-H"	59.013851
"972563"	404.159151	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-H+NaCOOH"	66.980151
"122929"	372.148402	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+2Cl"	69.938804
"560304"	540.737902	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+2Cl"	69.938804
"1029104"	203.558902	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2Cl"	69.938804
"1251963"	416.097885	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Br"	78.918885
"1317692"	418.153872	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Cl+HCOOH"	80.974872
"1325345"	440.135829	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Cl+NaCOOH"	102.956829
"916406"	450.164586	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M-H+CF3COOH"	112.985586
"1299320"	486.141264	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Cl+CF3COOH"	148.962264
"1377841"	302.166324	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H-2H2O"	-35.012676
"1386958"	320.1763	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H-H2O"	-17.0027
"287371"	675.365276	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+H"	1.007276
"680156"	1012.544276	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+H"	1.007276
"1355049"	338.186276	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H"	1.007276
"130126"	338.186276	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+2H"	2.014552
"574059"	506.775776	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+2H"	2.014552
"1047608"	169.596776	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2H"	2.014552
"216961"	225.793276	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+3H"	3.021828
"652515"	338.186276	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+3H"	3.021828
"1172826"	113.400276	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+3H"	3.021828
"432820"	692.391823	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+NH4"	18.033823
"793814"	1029.570823	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+NH4"	18.033823
"1687960"	355.212823	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+NH4"	18.033823
"337328"	346.6995495	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+H+NH4"	19.041099
"731937"	515.2890495	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+H+NH4"	19.041099
"1485759"	178.1100495	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H+NH4"	19.041099
"402254"	697.347218	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+Na"	22.989218
"762154"	1034.526218	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+Na"	22.989218
"1610249"	360.168218	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Na"	22.989218
"321379"	349.177247	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+H+Na"	23.996494
"710529"	517.766747	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+H+Na"	23.996494
"1465444"	180.587747	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H+Na"	23.996494
"1053457"	120.72759	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2H+Na"	25.00377
"1257688"	370.212486	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+CH3OH+H"	33.033486
"377312"	713.321158	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+K"	38.963158
"738594"	1050.500158	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+K"	38.963158
"1540649"	376.142158	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+K"	38.963158
"299528"	357.164217	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+H+K"	39.970434
"692314"	525.753717	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+H+K"	39.970434
"1450878"	188.574717	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H+K"	39.970434
"242759"	716.391826	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+ACN+H"	42.033826
"1214739"	379.212826	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+ACN+H"	42.033826
"1200446"	190.110051	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+ACN+2H"	43.041102
"194413"	719.32916	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+2Na-H"	44.97116
"632883"	1056.50816	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+2Na-H"	44.97116
"1145867"	382.15016	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2Na-H"	44.97116
"185147"	360.168218	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+2Na"	45.978436
"627020"	528.757718	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+2Na"	45.978436
"1127850"	191.578718	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2Na"	45.978436
"1408456"	128.054904	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H+2Na"	46.985712
"1443733"	384.191746	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H+HCOOH"	47.012746
"233308"	365.20124	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+3H2O+2H"	56.04448
"1522831"	398.24379	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+IsoProp+H"	61.06479
"423369"	368.155188	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+Na+K"	61.952376
"783271"	536.744688	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+Na+K"	61.952376
"1677900"	199.565688	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Na+K"	61.952376
"265515"	738.373768	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+ACN+Na"	64.015768
"1240288"	401.194768	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+ACN+Na"	64.015768
"1720184"	401.218293	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+NH4+HCOOH"	64.039293
"1178854"	135.382218	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+3Na"	68.967654
"1654337"	406.173688	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Na+HCOOH"	68.994688
"167760"	751.27704	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+2K-H"	76.91904
"602946"	1088.45604	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+2K-H"	76.91904
"1096209"	414.09804	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2K-H"	76.91904
"154120"	376.142158	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"2M+2K"	77.926316
"592586"	544.731658	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"3M+2K"	77.926316
"1071629"	207.552658	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2K"	77.926316
"1100338"	416.112592	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2K+H"	78.933592
"1343411"	416.200207	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+DMSO+H"	79.021207
"1017408"	420.239376	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2ACN+H"	83.060376
"1537964"	421.233008	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+IsoProp+Na+H"	84.054008
"1003925"	210.623326	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+2ACN+2H"	84.067652
"1598670"	422.147628	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+K+HCOOH"	84.968628
"1414853"	452.179138	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+H+CF3COOH"	115.000138
"1148421"	231.136601	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+3ACN+2H"	125.094202
"1700893"	469.205685	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+NH4+CF3COOH"	132.026685
"1635451"	474.16108	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+Na+CF3COOH"	136.98208
"1571832"	490.13502	"C11258"	"Bitertanol"	"C20H23N3O2"	"337.179"	"M+K+CF3COOH"	152.95602
"806938"	302.1114	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M"	0
"983751"	283.09301	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-H2O-H"	-19.01839
"78434"	200.400324	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M-3H"	-3.021828
"517999"	301.104124	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M-3H"	-3.021828
"888261"	99.696524	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-3H"	-3.021828
"14857"	301.104124	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M-2H"	-2.014552
"455027"	452.159824	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M-2H"	-2.014552
"830760"	150.048424	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-2H"	-2.014552
"91845"	603.215524	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M-H"	-1.007276
"533230"	905.326924	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M-H"	-1.007276
"904834"	301.104124	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-H"	-1.007276
"59571"	620.242071	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M-2H+NH4"	16.019271
"500590"	922.353471	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M-2H+NH4"	16.019271
"872196"	318.130671	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-2H+NH4"	16.019271
"36817"	625.197466	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M-2H+Na"	20.974666
"475285"	927.308866	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M-2H+Na"	20.974666
"851992"	323.086066	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-2H+Na"	20.974666
"1625903"	323.086066	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Na-2H"	20.974666
"99153"	319.092463	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M-H+Cl"	33.962126
"538713"	470.148163	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M-H+Cl"	33.962126
"941232"	168.036763	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-H+Cl"	33.962126
"281361"	639.192202	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+Cl"	34.969402
"675367"	941.303602	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+Cl"	34.969402
"1287891"	337.080802	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Cl"	34.969402
"30202"	641.171406	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M-2H+K"	36.948606
"467576"	943.282806	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M-2H+K"	36.948606
"846469"	339.060006	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-2H+K"	36.948606
"1569958"	339.060006	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+K-2H"	36.948606
"953466"	347.109594	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-H+HCOOH"	44.998194
"375691"	649.221001	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+HCOOH-H"	44.998201
"352286"	663.236651	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+Hac-H"	59.013851
"1500027"	361.125251	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Hac-H"	59.013851
"973524"	369.091551	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-H+NaCOOH"	66.980151
"124132"	337.080802	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+2Cl"	69.938804
"564667"	488.136502	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+2Cl"	69.938804
"1036792"	186.025102	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2Cl"	69.938804
"1256775"	381.030285	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Br"	78.918885
"1319883"	383.086272	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Cl+HCOOH"	80.974872
"1326548"	405.068229	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Cl+NaCOOH"	102.956829
"915423"	415.096986	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M-H+CF3COOH"	112.985586
"1298702"	451.073664	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Cl+CF3COOH"	148.962264
"1377951"	267.098724	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H-2H2O"	-35.012676
"1387797"	285.1087	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H-H2O"	-17.0027
"292949"	605.230076	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+H"	1.007276
"678079"	907.341476	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+H"	1.007276
"1356252"	303.118676	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H"	1.007276
"135702"	303.118676	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+2H"	2.014552
"574168"	454.174376	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+2H"	2.014552
"1048442"	152.062976	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2H"	2.014552
"214155"	202.414876	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+3H"	3.021828
"653720"	303.118676	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+3H"	3.021828
"1175123"	101.711076	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+3H"	3.021828
"435117"	622.256623	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+NH4"	18.033823
"796110"	924.368023	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+NH4"	18.033823
"1690256"	320.145223	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+NH4"	18.033823
"337437"	311.6319495	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+H+NH4"	19.041099
"734235"	462.6876495	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+H+NH4"	19.041099
"1488059"	160.5762495	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H+NH4"	19.041099
"405645"	627.212018	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+Na"	22.989218
"765545"	929.323418	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+Na"	22.989218
"1614733"	325.100618	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Na"	22.989218
"324769"	314.109647	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+H+Na"	23.996494
"710638"	465.165347	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+H+Na"	23.996494
"1465553"	163.053947	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H+Na"	23.996494
"1053203"	109.03839	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2H+Na"	25.00377
"1257555"	335.144886	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+CH3OH+H"	33.033486
"377303"	643.185958	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+K"	38.963158
"738785"	945.297358	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+K"	38.963158
"1541370"	341.074558	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+K"	38.963158
"300736"	322.096617	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+H+K"	39.970434
"693518"	473.152317	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+H+K"	39.970434
"1450988"	171.040917	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H+K"	39.970434
"238129"	646.256626	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+ACN+H"	42.033826
"1213027"	344.145226	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+ACN+H"	42.033826
"1200556"	172.576251	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+ACN+2H"	43.041102
"194524"	649.19396	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+2Na-H"	44.97116
"637367"	951.30536	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+2Na-H"	44.97116
"1145977"	347.08256	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2Na-H"	44.97116
"186350"	325.100618	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+2Na"	45.978436
"627372"	476.156318	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+2Na"	45.978436
"1128690"	174.044918	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2Na"	45.978436
"1408566"	116.365704	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H+2Na"	46.985712
"1442870"	349.124146	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H+HCOOH"	47.012746
"235484"	330.13364	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+3H2O+2H"	56.04448
"1521726"	363.17619	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+IsoProp+H"	61.06479
"422505"	333.087588	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+Na+K"	61.952376
"783502"	484.143288	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+Na+K"	61.952376
"1678742"	182.031888	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Na+K"	61.952376
"263804"	668.238568	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+ACN+Na"	64.015768
"1236879"	366.127168	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+ACN+Na"	64.015768
"1720295"	366.150693	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+NH4+HCOOH"	64.039293
"1182370"	123.693018	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+3Na"	68.967654
"1657729"	371.106088	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Na+HCOOH"	68.994688
"171152"	681.14184	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+2K-H"	76.91904
"605246"	983.25324	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+2K-H"	76.91904
"1098506"	379.03044	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2K-H"	76.91904
"156791"	341.074558	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"2M+2K"	77.926316
"596346"	492.130258	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"3M+2K"	77.926316
"1073925"	190.018858	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2K"	77.926316
"1109324"	381.044992	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2K+H"	78.933592
"1343519"	381.132607	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+DMSO+H"	79.021207
"1019707"	385.171776	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2ACN+H"	83.060376
"1539170"	386.165408	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+IsoProp+Na+H"	84.054008
"1005546"	193.089526	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+2ACN+2H"	84.067652
"1600965"	387.080028	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+K+HCOOH"	84.968628
"1417879"	417.111538	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+H+CF3COOH"	115.000138
"1149259"	213.602801	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+3ACN+2H"	125.094202
"1701003"	434.138085	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+NH4+CF3COOH"	132.026685
"1636654"	439.09348	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+Na+CF3COOH"	136.98208
"1571942"	455.06742	"C11259"	"Bicozamycin;Bicyclomycin"	"C12H18N2O7"	"302.1114"	"M+K+CF3COOH"	152.95602
"815435"	105.079	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M"	0
"987876"	86.06061	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-H2O-H"	-19.01839
"76479"	69.0453906666667	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M-3H"	-3.021828
"512758"	104.071724	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M-3H"	-3.021828
"892747"	34.0190573333333	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-3H"	-3.021828
"12417"	104.071724	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M-2H"	-2.014552
"450885"	156.611224	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M-2H"	-2.014552
"828685"	51.532224	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-2H"	-2.014552
"88676"	209.150724	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M-H"	-1.007276
"528236"	314.229724	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M-H"	-1.007276
"903851"	104.071724	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-H"	-1.007276
"53851"	226.177271	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M-2H+NH4"	16.019271
"490132"	331.256271	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M-2H+NH4"	16.019271
"870121"	121.098271	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-2H+NH4"	16.019271
"36927"	231.132666	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M-2H+Na"	20.974666
"474302"	336.211666	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M-2H+Na"	20.974666
"848652"	126.053666	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-2H+Na"	20.974666
"1626013"	126.053666	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Na-2H"	20.974666
"99263"	122.060063	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M-H+Cl"	33.962126
"537001"	174.599563	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M-H+Cl"	33.962126
"942636"	69.520563	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-H+Cl"	33.962126
"282084"	245.127402	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+Cl"	34.969402
"675239"	350.206402	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+Cl"	34.969402
"1287514"	140.048402	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Cl"	34.969402
"29220"	247.106606	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M-2H+K"	36.948606
"470847"	352.185606	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M-2H+K"	36.948606
"845486"	142.027606	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-2H+K"	36.948606
"1569704"	142.027606	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+K-2H"	36.948606
"957590"	150.077194	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-H+HCOOH"	44.998194
"366326"	255.156201	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+HCOOH-H"	44.998201
"357871"	269.171851	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+Hac-H"	59.013851
"1506335"	164.092851	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Hac-H"	59.013851
"970959"	172.059151	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-H+NaCOOH"	66.980151
"118778"	140.048402	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+2Cl"	69.938804
"560524"	192.587902	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+2Cl"	69.938804
"1029324"	87.508902	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2Cl"	69.938804
"1251091"	183.997885	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Br"	78.918885
"1316819"	186.053872	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Cl+HCOOH"	80.974872
"1324474"	208.035829	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Cl+NaCOOH"	102.956829
"919907"	218.064586	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M-H+CF3COOH"	112.985586
"1299539"	254.041264	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Cl+CF3COOH"	148.962264
"1378061"	70.066324	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H-2H2O"	-35.012676
"1389001"	88.0763	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H-H2O"	-17.0027
"290873"	211.165276	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+H"	1.007276
"679284"	316.244276	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+H"	1.007276
"1357456"	106.086276	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H"	1.007276
"136906"	106.086276	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+2H"	2.014552
"578653"	158.625776	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+2H"	2.014552
"1047459"	53.546776	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2H"	2.014552
"214265"	71.0599426666667	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+3H"	3.021828
"651644"	106.086276	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+3H"	3.021828
"1169765"	36.0336093333333	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+3H"	3.021828
"434132"	228.191823	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+NH4"	18.033823
"791848"	333.270823	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+NH4"	18.033823
"1687086"	123.112823	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+NH4"	18.033823
"338641"	114.5995495	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+H+NH4"	19.041099
"733250"	167.1390495	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+H+NH4"	19.041099
"1487074"	62.0600495	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H+NH4"	19.041099
"404661"	233.147218	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+Na"	22.989218
"760189"	338.226218	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+Na"	22.989218
"1614480"	128.068218	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Na"	22.989218
"323789"	117.077247	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+H+Na"	23.996494
"709653"	169.616747	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+H+Na"	23.996494
"1466757"	64.537747	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H+Na"	23.996494
"1053802"	43.3609233333333	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2H+Na"	25.00377
"1257297"	138.112486	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+CH3OH+H"	33.033486
"377614"	249.121158	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+K"	38.963158
"739792"	354.200158	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+K"	38.963158
"1539919"	144.042158	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+K"	38.963158
"300846"	125.064217	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+H+K"	39.970434
"698373"	177.603717	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+H+K"	39.970434
"1450008"	72.524717	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H+K"	39.970434
"240797"	252.191826	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+ACN+H"	42.033826
"1213505"	147.112826	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+ACN+H"	42.033826
"1199573"	74.060051	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+ACN+2H"	43.041102
"196823"	255.12916	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+2Na-H"	44.97116
"637478"	360.20816	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+2Na-H"	44.97116
"1145724"	150.05016	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2Na-H"	44.97116
"187191"	128.068218	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+2Na"	45.978436
"626752"	180.607718	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+2Na"	45.978436
"1130259"	75.528718	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2Na"	45.978436
"1411592"	50.6882373333333	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H+2Na"	46.985712
"1441888"	152.091746	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H+HCOOH"	47.012746
"234500"	133.10124	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+3H2O+2H"	56.04448
"1521836"	166.14379	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+IsoProp+H"	61.06479
"423343"	136.055188	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+Na+K"	61.952376
"783614"	188.594688	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+Na+K"	61.952376
"1681027"	83.515688	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Na+K"	61.952376
"265736"	274.173768	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+ACN+Na"	64.015768
"1240269"	169.094768	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+ACN+Na"	64.015768
"1723688"	169.118293	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+NH4+HCOOH"	64.039293
"1183572"	58.0155513333333	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+3Na"	68.967654
"1658934"	174.073688	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Na+HCOOH"	68.994688
"170170"	287.07704	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+2K-H"	76.91904
"608638"	392.15604	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+2K-H"	76.91904
"1098617"	181.99804	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2K-H"	76.91904
"157022"	144.042158	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"2M+2K"	77.926316
"596943"	196.581658	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"3M+2K"	77.926316
"1074037"	91.502658	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2K"	77.926316
"1109434"	184.012592	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2K+H"	78.933592
"1346911"	184.100207	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+DMSO+H"	79.021207
"1020427"	188.139376	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2ACN+H"	83.060376
"1534657"	189.133008	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+IsoProp+Na+H"	84.054008
"1005603"	94.573326	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+2ACN+2H"	84.067652
"1601075"	190.047628	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+K+HCOOH"	84.968628
"1424548"	220.079138	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+H+CF3COOH"	115.000138
"1153752"	115.086601	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+3ACN+2H"	125.094202
"1701116"	237.105685	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+NH4+CF3COOH"	132.026685
"1634375"	242.06108	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+Na+CF3COOH"	136.98208
"1574605"	258.03502	"C11260"	"2-Amino-2-methyl-13-propandiol;Aminomethyl propanediol"	"C4H11NO2"	"105.079"	"M+K+CF3COOH"	152.95602
"816516"	84.0436	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M"	0
"988347"	65.02521	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-H2O-H"	-19.01839
"75495"	55.0217906666667	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M-3H"	-3.021828
"516520"	83.036324	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M-3H"	-3.021828
"893953"	27.0072573333333	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-3H"	-3.021828
"7058"	83.036324	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M-2H"	-2.014552
"453180"	125.058124	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M-2H"	-2.014552
"828796"	41.014524	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-2H"	-2.014552
"87692"	167.079924	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M-H"	-1.007276
"527252"	251.123524	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M-H"	-1.007276
"906147"	83.036324	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-H"	-1.007276
"55055"	184.106471	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M-2H+NH4"	16.019271
"492429"	268.150071	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M-2H+NH4"	16.019271
"871324"	100.062871	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-2H+NH4"	16.019271
"40318"	189.061866	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M-2H+Na"	20.974666
"475139"	273.105466	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M-2H+Na"	20.974666
"851119"	105.018266	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-2H+Na"	20.974666
"1626122"	105.018266	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Na-2H"	20.974666
"99373"	101.024663	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M-H+Cl"	33.962126
"537475"	143.046463	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M-H+Cl"	33.962126
"942176"	59.002863	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-H+Cl"	33.962126
"277571"	203.056602	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+Cl"	34.969402
"673277"	287.100202	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+Cl"	34.969402
"1285677"	119.013002	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Cl"	34.969402
"27141"	205.035806	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M-2H+K"	36.948606
"466701"	289.079406	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M-2H+K"	36.948606
"839036"	120.992206	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-2H+K"	36.948606
"1566898"	120.992206	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+K-2H"	36.948606
"954781"	129.041794	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-H+HCOOH"	44.998194
"376161"	213.085401	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+HCOOH-H"	44.998201
"355797"	227.101051	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+Hac-H"	59.013851
"1504991"	143.057451	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Hac-H"	59.013851
"972165"	151.023751	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-H+NaCOOH"	66.980151
"116702"	119.013002	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+2Cl"	69.938804
"558448"	161.034802	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+2Cl"	69.938804
"1029436"	76.991202	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2Cl"	69.938804
"1250108"	162.962485	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Br"	78.918885
"1313650"	165.018472	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Cl+HCOOH"	80.974872
"1324584"	187.000429	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Cl+NaCOOH"	102.956829
"917831"	197.029186	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M-H+CF3COOH"	112.985586
"1301469"	233.005864	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Cl+CF3COOH"	148.962264
"1374891"	49.030924	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H-2H2O"	-35.012676
"1386559"	67.0409	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H-H2O"	-17.0027
"287337"	169.094476	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+H"	1.007276
"677935"	253.138076	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+H"	1.007276
"1355379"	85.050876	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H"	1.007276
"134832"	85.050876	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+2H"	2.014552
"573297"	127.072676	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+2H"	2.014552
"1045379"	43.029076	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2H"	2.014552
"212188"	57.0363426666667	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+3H"	3.021828
"656125"	85.050876	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+3H"	3.021828
"1175343"	29.0218093333333	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+3H"	3.021828
"435335"	186.121023	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+NH4"	18.033823
"794144"	270.164623	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+NH4"	18.033823
"1691568"	102.077423	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+NH4"	18.033823
"339845"	93.5641495	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+H+NH4"	19.041099
"732267"	135.5859495	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+H+NH4"	19.041099
"1482811"	51.5423495	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H+NH4"	19.041099
"403677"	191.076418	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+Na"	22.989218
"763580"	275.120018	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+Na"	22.989218
"1614590"	107.032818	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Na"	22.989218
"324993"	96.041847	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+H+Na"	23.996494
"710856"	138.063647	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+H+Na"	23.996494
"1465774"	54.020047	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H+Na"	23.996494
"1056466"	36.3491233333333	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2H+Na"	25.00377
"1258875"	117.077086	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+CH3OH+H"	33.033486
"380366"	207.050358	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+K"	38.963158
"742456"	291.093958	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+K"	38.963158
"1545603"	123.006758	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+K"	38.963158
"299617"	104.028817	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+H+K"	39.970434
"698484"	146.050617	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+H+K"	39.970434
"1451215"	62.007017	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H+K"	39.970434
"244189"	210.121026	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+ACN+H"	42.033826
"1219086"	126.077426	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+ACN+H"	42.033826
"1207343"	63.542351	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+ACN+2H"	43.041102
"196933"	213.05836	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+2Na-H"	44.97116
"639775"	297.10196	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+2Na-H"	44.97116
"1145835"	129.01476	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2Na-H"	44.97116
"187306"	107.032818	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+2Na"	45.978436
"626866"	149.054618	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+2Na"	45.978436
"1130369"	65.011018	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2Na"	45.978436
"1413165"	43.6764373333333	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H+2Na"	46.985712
"1443821"	131.056346	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H+HCOOH"	47.012746
"234610"	112.06584	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+3H2O+2H"	56.04448
"1521946"	145.10839	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+IsoProp+H"	61.06479
"421266"	115.019788	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+Na+K"	61.952376
"782631"	157.041588	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+Na+K"	61.952376
"1678963"	72.997988	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Na+K"	61.952376
"266778"	232.102968	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+ACN+Na"	64.015768
"1241026"	148.059368	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+ACN+Na"	64.015768
"1720520"	148.082893	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+NH4+HCOOH"	64.039293
"1185872"	51.0037513333333	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+3Na"	68.967654
"1652482"	153.038288	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Na+HCOOH"	68.994688
"161529"	245.00624	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+2K-H"	76.91904
"600725"	329.04984	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+2K-H"	76.91904
"1092167"	160.96264	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2K-H"	76.91904
"156032"	123.006758	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"2M+2K"	77.926316
"597038"	165.028558	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"3M+2K"	77.926316
"1073053"	80.984958	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2K"	77.926316
"1111732"	162.977192	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2K+H"	78.933592
"1348114"	163.064807	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+DMSO+H"	79.021207
"1019806"	167.103976	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2ACN+H"	83.060376
"1535860"	168.097608	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+IsoProp+Na+H"	84.054008
"1001215"	84.055626	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+2ACN+2H"	84.067652
"1601066"	169.012228	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+K+HCOOH"	84.968628
"1423565"	199.043738	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+H+CF3COOH"	115.000138
"1157144"	104.568901	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+3ACN+2H"	125.094202
"1701227"	216.070285	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+NH4+CF3COOH"	132.026685
"1645627"	221.02568	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+Na+CF3COOH"	136.98208
"1583464"	236.99962	"C11261"	"Amitrole;3-Amino-124-triazole;Aminotriazole;2-Amino-134-triazole"	"C2H4N4"	"84.0436"	"M+K+CF3COOH"	152.95602
"812737"	244.0808	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M"	0
"988458"	225.06241	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-H2O-H"	-19.01839
"70137"	161.713257333333	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M-3H"	-3.021828
"516626"	243.073524	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M-3H"	-3.021828
"893699"	80.3529906666667	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-3H"	-3.021828
"7168"	243.073524	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M-2H"	-2.014552
"448917"	365.113924	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M-2H"	-2.014552
"826718"	121.033124	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-2H"	-2.014552
"83428"	487.154324	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M-H"	-1.007276
"526269"	731.235124	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M-H"	-1.007276
"905164"	243.073524	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-H"	-1.007276
"54073"	504.180871	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M-2H+NH4"	16.019271
"491810"	748.261671	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M-2H+NH4"	16.019271
"871434"	260.100071	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-2H+NH4"	16.019271
"38241"	509.136266	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M-2H+Na"	20.974666
"474885"	753.217066	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M-2H+Na"	20.974666
"850863"	265.055466	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-2H+Na"	20.974666
"1621127"	265.055466	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Na-2H"	20.974666
"99483"	261.061863	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M-H+Cl"	33.962126
"537585"	383.102263	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M-H+Cl"	33.962126
"940949"	139.021463	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-H+Cl"	33.962126
"282181"	523.131002	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+Cl"	34.969402
"671204"	767.211802	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+Cl"	34.969402
"1287125"	279.050202	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Cl"	34.969402
"28345"	525.110206	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M-2H+K"	36.948606
"466811"	769.191006	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M-2H+K"	36.948606
"842426"	281.029406	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-2H+K"	36.948606
"1568102"	281.029406	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+K-2H"	36.948606
"954893"	289.078994	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-H+HCOOH"	44.998194
"370926"	533.159801	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+HCOOH-H"	44.998201
"355906"	547.175451	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+Hac-H"	59.013851
"1501455"	303.094651	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Hac-H"	59.013851
"967903"	311.060951	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-H+NaCOOH"	66.980151
"112435"	279.050202	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+2Cl"	69.938804
"551997"	401.090602	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+2Cl"	69.938804
"1025170"	157.009802	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2Cl"	69.938804
"1246935"	322.999685	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Br"	78.918885
"1312664"	325.055672	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Cl+HCOOH"	80.974872
"1322020"	347.037629	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Cl+NaCOOH"	102.956829
"919034"	357.066386	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M-H+CF3COOH"	112.985586
"1293564"	393.043064	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Cl+CF3COOH"	148.962264
"1371721"	209.068124	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H-2H2O"	-35.012676
"1385940"	227.0781	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H-H2O"	-17.0027
"286354"	489.168876	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+H"	1.007276
"678045"	733.249676	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+H"	1.007276
"1355489"	245.088076	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H"	1.007276
"133849"	245.088076	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+2H"	2.014552
"573044"	367.128476	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+2H"	2.014552
"1044397"	123.047676	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2H"	2.014552
"214485"	163.727809333333	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+3H"	3.021828
"657329"	245.088076	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+3H"	3.021828
"1176546"	82.3675426666667	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+3H"	3.021828
"435448"	506.195423	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+NH4"	18.033823
"796442"	750.276223	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+NH4"	18.033823
"1693865"	262.114623	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+NH4"	18.033823
"341051"	253.6013495	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+H+NH4"	19.041099
"733471"	375.6417495	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+H+NH4"	19.041099
"1487293"	131.5609495	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H+NH4"	19.041099
"406341"	511.150818	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+Na"	22.989218
"764783"	755.231618	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+Na"	22.989218
"1613607"	267.070018	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Na"	22.989218
"325104"	256.079047	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+H+Na"	23.996494
"710966"	378.119447	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+H+Na"	23.996494
"1469164"	134.038647	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H+Na"	23.996494
"1055483"	89.6948566666667	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2H+Na"	25.00377
"1259714"	277.114286	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+CH3OH+H"	33.033486
"382663"	527.124758	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+K"	38.963158
"743659"	771.205558	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+K"	38.963158
"1546806"	283.043958	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+K"	38.963158
"301428"	264.066017	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+H+K"	39.970434
"697501"	386.106417	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+H+K"	39.970434
"1451325"	142.025617	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H+K"	39.970434
"242113"	530.195426	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+ACN+H"	42.033826
"1219196"	286.114626	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+ACN+H"	42.033826
"1206360"	143.560951	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+ACN+2H"	43.041102
"195950"	533.13276	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+2Na-H"	44.97116
"638792"	777.21356	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+2Na-H"	44.97116
"1144489"	289.05196	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2Na-H"	44.97116
"185953"	267.070018	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+2Na"	45.978436
"624422"	389.110418	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+2Na"	45.978436
"1129388"	145.029618	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2Na"	45.978436
"1411454"	97.0221706666667	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H+2Na"	46.985712
"1444298"	291.093546	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H+HCOOH"	47.012746
"234235"	272.10304	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+3H2O+2H"	56.04448
"1520963"	305.14559	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+IsoProp+H"	61.06479
"422470"	275.056988	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+Na+K"	61.952376
"781647"	397.097388	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+Na+K"	61.952376
"1677978"	153.016588	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Na+K"	61.952376
"264864"	552.177368	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+ACN+Na"	64.015768
"1240610"	308.096568	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+ACN+Na"	64.015768
"1716984"	308.120093	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+NH4+HCOOH"	64.039293
"1184889"	104.349484666667	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+3Na"	68.967654
"1651862"	313.075488	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Na+HCOOH"	68.994688
"159452"	565.08064	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+2K-H"	76.91904
"600836"	809.16144	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+2K-H"	76.91904
"1094465"	320.99984	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2K-H"	76.91904
"151281"	283.043958	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"2M+2K"	77.926316
"597073"	405.084358	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"3M+2K"	77.926316
"1083865"	161.003558	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2K"	77.926316
"1109655"	323.014392	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2K+H"	78.933592
"1350050"	323.102007	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+DMSO+H"	79.021207
"1020975"	327.141176	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2ACN+H"	83.060376
"1537065"	328.134808	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+IsoProp+Na+H"	84.054008
"1005093"	164.074226	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+2ACN+2H"	84.067652
"1600568"	329.049428	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+K+HCOOH"	84.968628
"1424769"	359.080938	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+H+CF3COOH"	115.000138
"1153973"	184.587501	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+3ACN+2H"	125.094202
"1701337"	376.107485	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+NH4+CF3COOH"	132.026685
"1645737"	381.06288	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+Na+CF3COOH"	136.98208
"1583574"	397.03682	"C11262"	"5-Azacytidine;Azacitidine"	"C8H12N4O5"	"244.0808"	"M+K+CF3COOH"	152.95602
"813940"	225.1014	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M"	0
"989647"	206.08301	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-H2O-H"	-19.01839
"72434"	149.060324	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M-3H"	-3.021828
"517464"	224.094124	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M-3H"	-3.021828
"894901"	74.026524	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-3H"	-3.021828
"10558"	224.094124	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M-2H"	-2.014552
"450120"	336.644824	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M-2H"	-2.014552
"830108"	111.543424	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-2H"	-2.014552
"94255"	449.195524	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M-H"	-1.007276
"533670"	674.296924	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M-H"	-1.007276
"911079"	224.094124	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-H"	-1.007276
"62571"	466.222071	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M-2H+NH4"	16.019271
"498116"	691.323471	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M-2H+NH4"	16.019271
"875918"	241.120671	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-2H+NH4"	16.019271
"41631"	471.177466	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M-2H+Na"	20.974666
"475358"	696.278866	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M-2H+Na"	20.974666
"852431"	246.076066	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-2H+Na"	20.974666
"1622329"	246.076066	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Na-2H"	20.974666
"102873"	242.082463	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M-H+Cl"	33.962126
"537331"	354.633163	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M-H+Cl"	33.962126
"941667"	129.531763	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-H+Cl"	33.962126
"282050"	485.172202	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+Cl"	34.969402
"673136"	710.273602	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+Cl"	34.969402
"1284804"	260.070802	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Cl"	34.969402
"26268"	487.151406	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M-2H+K"	36.948606
"465827"	712.252806	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M-2H+K"	36.948606
"842536"	262.050006	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-2H+K"	36.948606
"1569305"	262.050006	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+K-2H"	36.948606
"952815"	270.099594	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-H+HCOOH"	44.998194
"372129"	495.201001	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+HCOOH-H"	44.998201
"358201"	509.216651	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+Hac-H"	59.013851
"1501565"	284.115251	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Hac-H"	59.013851
"969106"	292.081551	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-H+NaCOOH"	66.980151
"120203"	260.070802	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+2Cl"	69.938804
"553566"	372.621502	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+2Cl"	69.938804
"1027467"	147.520102	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2Cl"	69.938804
"1248140"	304.020285	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Br"	78.918885
"1311681"	306.076272	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Cl+HCOOH"	80.974872
"1323711"	328.058229	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Cl+NaCOOH"	102.956829
"920238"	338.086986	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M-H+CF3COOH"	112.985586
"1300235"	374.063664	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Cl+CF3COOH"	148.962264
"1377303"	190.088724	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H-2H2O"	-35.012676
"1395164"	208.0987	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H-H2O"	-17.0027
"291202"	451.210076	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+H"	1.007276
"684717"	676.311476	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+H"	1.007276
"1361067"	226.108676	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H"	1.007276
"133957"	226.108676	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+2H"	2.014552
"570239"	338.659376	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+2H"	2.014552
"1045601"	113.557976	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2H"	2.014552
"215691"	151.074876	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+3H"	3.021828
"654158"	226.108676	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+3H"	3.021828
"1175564"	76.041076	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+3H"	3.021828
"433372"	468.236623	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+NH4"	18.033823
"792179"	693.338023	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+NH4"	18.033823
"1691792"	243.135223	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+NH4"	18.033823
"343347"	234.6219495	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+H+NH4"	19.041099
"734674"	347.1726495	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+H+NH4"	19.041099
"1486306"	122.0712495	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H+NH4"	19.041099
"401706"	473.192018	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+Na"	22.989218
"768172"	698.293418	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+Na"	22.989218
"1616266"	248.090618	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Na"	22.989218
"328128"	237.099647	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+H+Na"	23.996494
"712174"	349.650347	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+H+Na"	23.996494
"1467087"	124.548947	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H+Na"	23.996494
"1054866"	83.36839	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2H+Na"	25.00377
"1262013"	258.134886	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+CH3OH+H"	33.033486
"384963"	489.165958	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+K"	38.963158
"744864"	714.267358	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+K"	38.963158
"1546916"	264.064558	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+K"	38.963158
"302632"	245.086617	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+H+K"	39.970434
"697611"	357.637317	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+H+K"	39.970434
"1450339"	132.535917	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H+K"	39.970434
"241129"	492.236626	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+ACN+H"	42.033826
"1217120"	267.135226	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+ACN+H"	42.033826
"1199910"	134.071251	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+ACN+2H"	43.041102
"196059"	495.17396	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+2Na-H"	44.97116
"635620"	720.27536	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+2Na-H"	44.97116
"1138034"	270.07256	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2Na-H"	44.97116
"182416"	248.090618	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+2Na"	45.978436
"625259"	360.641318	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+2Na"	45.978436
"1121111"	135.539918	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2Na"	45.978436
"1409375"	90.695704	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H+2Na"	46.985712
"1443678"	272.114146	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H+HCOOH"	47.012746
"233737"	253.12364	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+3H2O+2H"	56.04448
"1519979"	286.16619	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+IsoProp+H"	61.06479
"421852"	256.077588	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+Na+K"	61.952376
"779936"	368.628288	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+Na+K"	61.952376
"1673716"	143.526888	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Na+K"	61.952376
"260966"	514.218568	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+ACN+Na"	64.015768
"1234039"	289.117168	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+ACN+Na"	64.015768
"1716364"	289.140693	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+NH4+HCOOH"	64.039293
"1180988"	98.023018	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+3Na"	68.967654
"1651608"	294.096088	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Na+HCOOH"	68.994688
"160655"	527.12184	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+2K-H"	76.91904
"602408"	752.22324	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+2K-H"	76.91904
"1097733"	302.02044	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2K-H"	76.91904
"153577"	264.064558	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"2M+2K"	77.926316
"596916"	376.615258	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"3M+2K"	77.926316
"1083002"	151.513858	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2K"	77.926316
"1110491"	304.034992	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2K+H"	78.933592
"1346150"	304.122607	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+DMSO+H"	79.021207
"1019905"	308.161776	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2ACN+H"	83.060376
"1534989"	309.155408	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+IsoProp+Na+H"	84.054008
"1003504"	154.584526	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+2ACN+2H"	84.067652
"1598855"	310.070028	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+K+HCOOH"	84.968628
"1421599"	340.101538	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+H+CF3COOH"	115.000138
"1157363"	175.097801	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+3ACN+2H"	125.094202
"1701447"	357.128085	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+NH4+CF3COOH"	132.026685
"1645847"	362.08348	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+Na+CF3COOH"	136.98208
"1583684"	378.05742	"C11263"	"6-Benzylaminopurine;N-Benzyladenine;N6-Benzyladenine"	"C12H11N5"	"225.1014"	"M+K+CF3COOH"	152.95602
"812957"	238.063	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M"	0
"983209"	219.04461	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H2O-H"	-19.01839
"69263"	157.701390666667	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-3H"	-3.021828
"506637"	237.055724	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-3H"	-3.021828
"882251"	78.3470573333333	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-3H"	-3.021828
"9575"	237.055724	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H"	-2.014552
"446949"	356.087224	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H"	-2.014552
"823658"	118.024224	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H"	-2.014552
"84742"	475.118724	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-H"	-1.007276
"524302"	713.181724	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-H"	-1.007276
"904290"	237.055724	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H"	-1.007276
"55386"	492.145271	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H+NH4"	16.019271
"492759"	730.208271	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H+NH4"	16.019271
"876028"	254.082271	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H+NH4"	16.019271
"37368"	497.100666	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H+Na"	20.974666
"474739"	735.163666	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H+Na"	20.974666
"852541"	259.037666	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H+Na"	20.974666
"1623168"	259.037666	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na-2H"	20.974666
"97515"	255.044063	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-H+Cl"	33.962126
"538166"	374.075563	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-H+Cl"	33.962126
"941168"	136.012563	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+Cl"	33.962126
"282445"	511.095402	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Cl"	34.969402
"674704"	749.158402	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+Cl"	34.969402
"1283821"	273.032402	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl"	34.969402
"25285"	513.074606	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H+K"	36.948606
"464844"	751.137606	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H+K"	36.948606
"842646"	275.011606	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H+K"	36.948606
"1567959"	275.011606	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K-2H"	36.948606
"952926"	283.061194	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+HCOOH"	44.998194
"371146"	521.124201	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+HCOOH-H"	44.998201
"358311"	535.139851	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Hac-H"	59.013851
"1501675"	297.076851	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Hac-H"	59.013851
"969216"	305.043151	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+NaCOOH"	66.980151
"120313"	273.032402	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2Cl"	69.938804
"560967"	392.063902	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2Cl"	69.938804
"1031953"	154.000902	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2Cl"	69.938804
"1249342"	316.981885	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Br"	78.918885
"1311791"	319.037872	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl+HCOOH"	80.974872
"1323821"	341.019829	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl+NaCOOH"	102.956829
"917067"	351.048586	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+CF3COOH"	112.985586
"1298159"	387.025264	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl+CF3COOH"	148.962264
"1373039"	203.050324	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H-2H2O"	-35.012676
"1383971"	221.0603	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H-H2O"	-17.0027
"285241"	477.133276	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H"	1.007276
"678269"	715.196276	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H"	1.007276
"1354983"	239.070276	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H"	1.007276
"130058"	239.070276	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2H"	2.014552
"568527"	358.101776	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2H"	2.014552
"1042430"	120.038776	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2H"	2.014552
"212520"	159.715942666667	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+3H"	3.021828
"648801"	239.070276	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+3H"	3.021828
"1173487"	80.3616093333333	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+3H"	3.021828
"434573"	494.159823	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+NH4"	18.033823
"793382"	732.222823	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+NH4"	18.033823
"1689713"	256.096823	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+NH4"	18.033823
"335803"	247.5835495	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H+NH4"	19.041099
"732599"	366.6150495	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H+NH4"	19.041099
"1482044"	128.5520495	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+NH4"	19.041099
"402911"	499.115218	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Na"	22.989218
"767185"	737.178218	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+Na"	22.989218
"1613094"	261.052218	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na"	22.989218
"326413"	250.061247	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H+Na"	23.996494
"714470"	369.092747	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H+Na"	23.996494
"1466103"	131.029747	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+Na"	23.996494
"1057165"	87.6889233333333	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2H+Na"	25.00377
"1258843"	271.096486	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+CH3OH+H"	33.033486
"382885"	515.089158	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+K"	38.963158
"743879"	753.152158	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+K"	38.963158
"1543016"	277.026158	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K"	38.963158
"301284"	258.048217	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H+K"	39.970434
"695533"	377.079717	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H+K"	39.970434
"1453728"	139.016717	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+K"	39.970434
"243424"	518.159826	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+ACN+H"	42.033826
"1217228"	280.096826	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+ACN+H"	42.033826
"1202206"	140.552051	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+ACN+2H"	43.041102
"197262"	521.09716	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2Na-H"	44.97116
"636823"	759.16016	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2Na-H"	44.97116
"1138143"	283.03416	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2Na-H"	44.97116
"182526"	261.052218	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2Na"	45.978436
"623181"	380.083718	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2Na"	45.978436
"1121220"	142.020718	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2Na"	45.978436
"1408025"	95.0162373333333	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+2Na"	46.985712
"1440140"	285.075746	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+HCOOH"	47.012746
"233847"	266.08524	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+3H2O+2H"	56.04448
"1519723"	299.12779	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+IsoProp+H"	61.06479
"420139"	269.039188	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Na+K"	61.952376
"775305"	388.070688	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+Na+K"	61.952376
"1673823"	150.007688	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na+K"	61.952376
"255974"	540.141768	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+ACN+Na"	64.015768
"1233419"	302.078768	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+ACN+Na"	64.015768
"1713434"	302.102293	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+NH4+HCOOH"	64.039293
"1179232"	102.343551333333	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+3Na"	68.967654
"1650990"	307.057688	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na+HCOOH"	68.994688
"158090"	553.04504	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2K-H"	76.91904
"600327"	791.10804	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2K-H"	76.91904
"1095777"	314.98204	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2K-H"	76.91904
"152594"	277.026158	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2K"	77.926316
"592153"	396.057658	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2K"	77.926316
"1082135"	157.994658	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2K"	77.926316
"1104768"	316.996592	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2K+H"	78.933592
"1341884"	317.084207	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+DMSO+H"	79.021207
"1018070"	321.123376	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2ACN+H"	83.060376
"1530725"	322.117008	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+IsoProp+Na+H"	84.054008
"1001545"	161.065326	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2ACN+2H"	84.067652
"1591676"	323.031628	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K+HCOOH"	84.968628
"1418429"	353.063138	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+CF3COOH"	115.000138
"1154193"	181.578601	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+3ACN+2H"	125.094202
"1699370"	370.089685	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+NH4+CF3COOH"	132.026685
"1642677"	375.04508	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na+CF3COOH"	136.98208
"1583794"	391.01902	"C11264"	"7-Hydroxyflavone;7-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K+CF3COOH"	152.95602
"810880"	268.092	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M"	0
"978944"	249.07361	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-H2O-H"	-19.01839
"66093"	177.720724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M-3H"	-3.021828
"503829"	267.084724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M-3H"	-3.021828
"891110"	88.356724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-3H"	-3.021828
"14058"	267.084724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M-2H"	-2.014552
"454918"	401.130724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M-2H"	-2.014552
"829234"	133.038724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-2H"	-2.014552
"87040"	535.176724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M-H"	-1.007276
"523683"	803.268724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M-H"	-1.007276
"904400"	267.084724	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-H"	-1.007276
"52216"	552.203271	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M-2H+NH4"	16.019271
"492504"	820.295271	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M-2H+NH4"	16.019271
"875046"	284.111271	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-2H+NH4"	16.019271
"37843"	557.158666	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M-2H+Na"	20.974666
"474850"	825.250666	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M-2H+Na"	20.974666
"851559"	289.066666	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-2H+Na"	20.974666
"1619998"	289.066666	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Na-2H"	20.974666
"99812"	285.073063	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M-H+Cl"	33.962126
"536820"	419.119063	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M-H+Cl"	33.962126
"941278"	151.027063	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-H+Cl"	33.962126
"281293"	571.153402	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+Cl"	34.969402
"672624"	839.245402	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+Cl"	34.969402
"1283934"	303.061402	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Cl"	34.969402
"29408"	573.132606	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M-2H+K"	36.948606
"469332"	841.224606	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M-2H+K"	36.948606
"844944"	305.040606	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-2H+K"	36.948606
"1567343"	305.040606	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+K-2H"	36.948606
"951943"	313.090194	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-H+HCOOH"	44.998194
"369070"	581.182201	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+HCOOH-H"	44.998201
"355141"	595.197851	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+Hac-H"	59.013851
"1500691"	327.105851	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Hac-H"	59.013851
"967139"	335.072151	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-H+NaCOOH"	66.980151
"120423"	303.061402	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+2Cl"	69.938804
"561077"	437.107402	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+2Cl"	69.938804
"1032063"	169.015402	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2Cl"	69.938804
"1246173"	347.010885	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Br"	78.918885
"1308987"	349.066872	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Cl+HCOOH"	80.974872
"1323931"	371.048829	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Cl+NaCOOH"	102.956829
"916084"	381.077586	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M-H+CF3COOH"	112.985586
"1297175"	417.054264	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Cl+CF3COOH"	148.962264
"1372057"	233.079324	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H-2H2O"	-35.012676
"1384812"	251.0893	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H-H2O"	-17.0027
"285230"	537.191276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+H"	1.007276
"676920"	805.283276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+H"	1.007276
"1355093"	269.099276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H"	1.007276
"130899"	269.099276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+2H"	2.014552
"569731"	403.145276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+2H"	2.014552
"1042541"	135.053276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2H"	2.014552
"212630"	179.735276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+3H"	3.021828
"646725"	269.099276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+3H"	3.021828
"1173598"	90.371276	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+3H"	3.021828
"429216"	554.217823	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+NH4"	18.033823
"791307"	822.309823	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+NH4"	18.033823
"1687639"	286.125823	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+NH4"	18.033823
"340286"	277.6125495	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+H+NH4"	19.041099
"732708"	411.6585495	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+H+NH4"	19.041099
"1483248"	143.5665495	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H+NH4"	19.041099
"401926"	559.173218	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+Na"	22.989218
"762922"	827.265218	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+Na"	22.989218
"1609926"	291.081218	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Na"	22.989218
"324336"	280.090247	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+H+Na"	23.996494
"715673"	414.136247	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+H+Na"	23.996494
"1470586"	146.044247	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H+Na"	23.996494
"1058368"	97.69859	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2H+Na"	25.00377
"1262233"	301.125486	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+CH3OH+H"	33.033486
"385180"	575.147158	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+K"	38.963158
"745082"	843.239158	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+K"	38.963158
"1546042"	307.055158	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+K"	38.963158
"301395"	288.077217	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+H+K"	39.970434
"694548"	422.123217	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+H+K"	39.970434
"1452744"	154.031217	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H+K"	39.970434
"243534"	578.217826	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+ACN+H"	42.033826
"1215151"	310.125826	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+ACN+H"	42.033826
"1203409"	155.566551	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+ACN+2H"	43.041102
"199561"	581.15516	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+2Na-H"	44.97116
"636933"	849.24716	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+2Na-H"	44.97116
"1134973"	313.06316	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2Na-H"	44.97116
"181543"	291.081218	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+2Na"	45.978436
"617825"	425.127218	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+2Na"	45.978436
"1127529"	157.035218	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2Na"	45.978436
"1408135"	105.025904	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H+2Na"	46.985712
"1440250"	315.104746	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H+HCOOH"	47.012746
"233959"	296.11424	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+3H2O+2H"	56.04448
"1519833"	329.15679	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+IsoProp+H"	61.06479
"419886"	299.068188	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+Na+K"	61.952376
"777603"	433.114188	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+Na+K"	61.952376
"1672840"	165.022188	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Na+K"	61.952376
"260454"	600.199768	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+ACN+Na"	64.015768
"1234622"	332.107768	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+ACN+Na"	64.015768
"1713667"	332.131293	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+NH4+HCOOH"	64.039293
"1179868"	112.353218	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+3Na"	68.967654
"1652193"	337.086688	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Na+HCOOH"	68.994688
"157348"	613.10304	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+2K-H"	76.91904
"601168"	881.19504	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+2K-H"	76.91904
"1095887"	345.01104	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2K-H"	76.91904
"150518"	307.055158	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"2M+2K"	77.926316
"594452"	441.101158	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"3M+2K"	77.926316
"1074589"	173.009158	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2K"	77.926316
"1102326"	347.025592	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2K+H"	78.933592
"1339808"	347.113207	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+DMSO+H"	79.021207
"1013805"	351.152376	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2ACN+H"	83.060376
"1529743"	352.146008	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+IsoProp+Na+H"	84.054008
"997285"	176.079826	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+2ACN+2H"	84.067652
"1599441"	353.060628	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+K+HCOOH"	84.968628
"1419633"	383.092138	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+H+CF3COOH"	115.000138
"1149193"	196.593101	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+3ACN+2H"	125.094202
"1700937"	400.118685	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+NH4+CF3COOH"	132.026685
"1642787"	405.07408	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+Na+CF3COOH"	136.98208
"1583904"	421.04802	"C11265"	"8-Azaadenosine"	"C9H12N6O4"	"268.092"	"M+K+CF3COOH"	152.95602
"805523"	345.0073	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M"	0
"985616"	325.98891	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-H2O-H"	-19.01839
"69484"	228.997590666667	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M-3H"	-3.021828
"515606"	344.000024	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M-3H"	-3.021828
"895111"	113.995157333333	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-3H"	-3.021828
"14659"	344.000024	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M-2H"	-2.014552
"451547"	516.503674	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M-2H"	-2.014552
"828255"	171.496374	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-2H"	-2.014552
"84965"	689.007324	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M-H"	-1.007276
"525618"	1034.014624	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M-H"	-1.007276
"899045"	344.000024	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-H"	-1.007276
"50137"	706.033871	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M-2H+NH4"	16.019271
"490793"	1051.041171	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M-2H+NH4"	16.019271
"865189"	361.026571	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-2H+NH4"	16.019271
"34672"	710.989266	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M-2H+Na"	20.974666
"473503"	1055.996566	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M-2H+Na"	20.974666
"851308"	365.981966	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-2H+Na"	20.974666
"1622305"	365.981966	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Na-2H"	20.974666
"97739"	361.988363	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M-H+Cl"	33.962126
"548968"	534.492013	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M-H+Cl"	33.962126
"941877"	189.484713	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-H+Cl"	33.962126
"282013"	724.984002	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+Cl"	34.969402
"673832"	1069.991302	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+Cl"	34.969402
"1286233"	379.976702	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Cl"	34.969402
"30249"	726.963206	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M-2H+K"	36.948606
"469444"	1071.970506	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M-2H+K"	36.948606
"847247"	381.955906	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-2H+K"	36.948606
"1566362"	381.955906	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+K-2H"	36.948606
"950964"	390.005494	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-H+HCOOH"	44.998194
"373555"	735.012801	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+HCOOH-H"	44.998201
"356345"	749.028451	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+Hac-H"	59.013851
"1505182"	404.021151	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Hac-H"	59.013851
"973939"	411.987451	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-H+NaCOOH"	66.980151
"123814"	379.976702	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+2Cl"	69.938804
"560093"	552.480352	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+2Cl"	69.938804
"1028894"	207.473052	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2Cl"	69.938804
"1244097"	423.926185	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Br"	78.918885
"1308731"	425.982172	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Cl+HCOOH"	80.974872
"1324042"	447.964129	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Cl+NaCOOH"	102.956829
"920571"	457.992886	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M-H+CF3COOH"	112.985586
"1291453"	493.969564	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Cl+CF3COOH"	148.962264
"1372166"	309.994624	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H-2H2O"	-35.012676
"1387475"	328.0046	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H-H2O"	-17.0027
"288256"	691.021876	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+H"	1.007276
"676423"	1036.029176	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+H"	1.007276
"1359214"	346.014576	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H"	1.007276
"129187"	346.014576	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+2H"	2.014552
"568386"	518.518226	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+2H"	2.014552
"1039375"	173.510926	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2H"	2.014552
"205205"	231.012142666667	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+3H"	3.021828
"651207"	346.014576	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+3H"	3.021828
"1168239"	116.009709333333	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+3H"	3.021828
"430418"	708.048423	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+NH4"	18.033823
"792509"	1053.055723	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+NH4"	18.033823
"1689931"	363.041123	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+NH4"	18.033823
"339302"	354.5278495	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+H+NH4"	19.041099
"726619"	527.0314995	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+H+NH4"	19.041099
"1483357"	182.0241995	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H+NH4"	19.041099
"399849"	713.003818	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+Na"	22.989218
"763029"	1058.011118	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+Na"	22.989218
"1603068"	367.996518	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Na"	22.989218
"315825"	357.005547	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+H+Na"	23.996494
"717245"	529.509197	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+H+Na"	23.996494
"1467421"	184.501897	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H+Na"	23.996494
"1063217"	123.337023333333	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2H+Na"	25.00377
"1261248"	378.040786	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+CH3OH+H"	33.033486
"383104"	728.977758	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+K"	38.963158
"745193"	1073.985058	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+K"	38.963158
"1545060"	383.970458	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+K"	38.963158
"305520"	364.992517	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+H+K"	39.970434
"697941"	537.496167	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+H+K"	39.970434
"1451763"	192.488867	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H+K"	39.970434
"241462"	732.048426	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+ACN+H"	42.033826
"1219638"	387.041126	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+ACN+H"	42.033826
"1208264"	194.024201	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+ACN+2H"	43.041102
"199671"	734.98576	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+2Na-H"	44.97116
"641057"	1079.99306	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+2Na-H"	44.97116
"1144563"	389.97846	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2Na-H"	44.97116
"179468"	367.996518	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+2Na"	45.978436
"616841"	540.500168	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+2Na"	45.978436
"1121440"	195.492868	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2Na"	45.978436
"1407517"	130.664337333333	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H+2Na"	46.985712
"1438905"	392.020046	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H+HCOOH"	47.012746
"229695"	373.02954	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+3H2O+2H"	56.04448
"1515937"	406.07209	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+IsoProp+H"	61.06479
"416717"	375.983488	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+Na+K"	61.952376
"778807"	548.487138	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+Na+K"	61.952376
"1667118"	203.479838	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Na+K"	61.952376
"257283"	754.030368	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+ACN+Na"	64.015768
"1233275"	409.023068	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+ACN+Na"	64.015768
"1713290"	409.046593	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+NH4+HCOOH"	64.039293
"1183141"	137.991651333333	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+3Na"	68.967654
"1653397"	414.001988	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Na+HCOOH"	68.994688
"164268"	766.93364	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+2K-H"	76.91904
"603829"	1111.94094	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+2K-H"	76.91904
"1088706"	421.92634	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2K-H"	76.91904
"143698"	383.970458	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"2M+2K"	77.926316
"587999"	556.474108	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"3M+2K"	77.926316
"1071415"	211.466808	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2K"	77.926316
"1100979"	423.940892	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2K+H"	78.933592
"1338822"	424.028507	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+DMSO+H"	79.021207
"1009540"	428.067676	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2ACN+H"	83.060376
"1528759"	429.061308	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+IsoProp+Na+H"	84.054008
"995207"	214.537476	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+2ACN+2H"	84.067652
"1591895"	429.975928	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+K+HCOOH"	84.968628
"1415004"	460.007438	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+H+CF3COOH"	115.000138
"1147848"	235.050751	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+3ACN+2H"	125.094202
"1699586"	477.033985	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+NH4+CF3COOH"	132.026685
"1635238"	481.98938	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+Na+CF3COOH"	136.98208
"1584014"	497.96332	"C11266"	"8-Bromoadenosine"	"C10H12BrN5O4"	"345.0073"	"M+K+CF3COOH"	152.95602
"816955"	350.1049	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M"	0
"986821"	331.08651	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-H2O-H"	-19.01839
"77982"	232.395990666667	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M-3H"	-3.021828
"517906"	349.097624	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M-3H"	-3.021828
"893888"	115.694357333333	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-3H"	-3.021828
"14283"	349.097624	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M-2H"	-2.014552
"452750"	524.150074	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M-2H"	-2.014552
"823992"	174.045174	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-2H"	-2.014552
"88355"	699.202524	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M-H"	-1.007276
"525730"	1049.307424	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M-H"	-1.007276
"901342"	349.097624	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-H"	-1.007276
"50248"	716.229071	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M-2H+NH4"	16.019271
"490903"	1066.333971	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M-2H+NH4"	16.019271
"867245"	366.124171	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-2H+NH4"	16.019271
"34052"	721.184466	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M-2H+Na"	20.974666
"473249"	1071.289366	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M-2H+Na"	20.974666
"851418"	371.079566	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-2H+Na"	20.974666
"1624601"	371.079566	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Na-2H"	20.974666
"97849"	367.085963	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M-H+Cl"	33.962126
"547742"	542.138413	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M-H+Cl"	33.962126
"941746"	192.033513	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-H+Cl"	33.962126
"281275"	735.179202	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+Cl"	34.969402
"673574"	1085.284102	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+Cl"	34.969402
"1285247"	385.074302	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Cl"	34.969402
"30117"	737.158406	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M-2H+K"	36.948606
"468096"	1087.263306	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M-2H+K"	36.948606
"845171"	387.053506	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-2H+K"	36.948606
"1566472"	387.053506	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+K-2H"	36.948606
"948888"	395.103094	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-H+HCOOH"	44.998194
"372572"	745.208001	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+HCOOH-H"	44.998201
"360710"	759.223651	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+Hac-H"	59.013851
"1504565"	409.118751	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Hac-H"	59.013851
"972470"	417.085051	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-H+NaCOOH"	66.980151
"123924"	385.074302	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+2Cl"	69.938804
"555830"	560.126752	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+2Cl"	69.938804
"1031192"	210.021852	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2Cl"	69.938804
"1248582"	429.023785	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Br"	78.918885
"1311028"	431.079772	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Cl+HCOOH"	80.974872
"1325245"	453.061729	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Cl+NaCOOH"	102.956829
"922868"	463.090486	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M-H+CF3COOH"	112.985586
"1291928"	499.067164	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Cl+CF3COOH"	148.962264
"1370088"	315.092224	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H-2H2O"	-35.012676
"1387585"	333.1022	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H-H2O"	-17.0027
"287637"	701.217076	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+H"	1.007276
"679693"	1051.321976	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+H"	1.007276
"1359324"	351.112176	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H"	1.007276
"129297"	351.112176	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+2H"	2.014552
"568496"	526.164626	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+2H"	2.014552
"1040578"	176.059726	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2H"	2.014552
"206411"	234.410542666667	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+3H"	3.021828
"654597"	351.112176	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+3H"	3.021828
"1170537"	117.708909333333	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+3H"	3.021828
"432716"	718.243623	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+NH4"	18.033823
"793710"	1068.348523	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+NH4"	18.033823
"1688948"	368.138723	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+NH4"	18.033823
"340142"	359.6254495	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+H+NH4"	19.041099
"726729"	534.6778995	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+H+NH4"	19.041099
"1482737"	184.5729995	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H+NH4"	19.041099
"404331"	723.199018	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+Na"	22.989218
"764233"	1073.303918	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+Na"	22.989218
"1605044"	373.094118	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Na"	22.989218
"316905"	362.103147	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+H+Na"	23.996494
"713707"	537.155597	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+H+Na"	23.996494
"1467529"	187.050697	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H+Na"	23.996494
"1060775"	125.036223333333	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2H+Na"	25.00377
"1260265"	383.138386	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+CH3OH+H"	33.033486
"377987"	739.172958	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+K"	38.963158
"742023"	1089.277858	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+K"	38.963158
"1547357"	389.068058	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+K"	38.963158
"307451"	370.090117	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+H+K"	39.970434
"700237"	545.142567	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+H+K"	39.970434
"1451872"	195.037667	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H+K"	39.970434
"241572"	742.243626	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+ACN+H"	42.033826
"1214280"	392.138726	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+ACN+H"	42.033826
"1206553"	196.573001	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+ACN+2H"	43.041102
"195408"	745.18096	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+2Na-H"	44.97116
"640440"	1095.28586	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+2Na-H"	44.97116
"1143216"	395.07606	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2Na-H"	44.97116
"180671"	373.094118	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+2Na"	45.978436
"622418"	548.146568	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+2Na"	45.978436
"1122644"	198.041668	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2Na"	45.978436
"1405075"	132.363537333333	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H+2Na"	46.985712
"1439742"	397.117646	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H+HCOOH"	47.012746
"229804"	378.12714	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+3H2O+2H"	56.04448
"1517140"	411.16969	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+IsoProp+H"	61.06479
"417921"	381.081088	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+Na+K"	61.952376
"775636"	556.133538	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+Na+K"	61.952376
"1669051"	206.028638	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Na+K"	61.952376
"257393"	764.225568	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+ACN+Na"	64.015768
"1233384"	414.120668	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+ACN+Na"	64.015768
"1718991"	414.144193	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+NH4+HCOOH"	64.039293
"1182157"	139.690851333333	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+3Na"	68.967654
"1652048"	419.099588	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Na+HCOOH"	68.994688
"162555"	777.12884	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+2K-H"	76.91904
"600659"	1127.23374	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+2K-H"	76.91904
"1086628"	427.02394	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2K-H"	76.91904
"143442"	389.068058	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"2M+2K"	77.926316
"587015"	564.120508	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"3M+2K"	77.926316
"1070433"	214.015608	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2K"	77.926316
"1104736"	429.038492	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2K+H"	78.933592
"1339298"	429.126107	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+DMSO+H"	79.021207
"1009651"	433.165276	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2ACN+H"	83.060376
"1528870"	434.158908	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+IsoProp+Na+H"	84.054008
"994224"	217.086276	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+2ACN+2H"	84.067652
"1588360"	435.073528	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+K+HCOOH"	84.968628
"1415111"	465.105038	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+H+CF3COOH"	115.000138
"1148079"	237.599551	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+3ACN+2H"	125.094202
"1698603"	482.131585	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+NH4+CF3COOH"	132.026685
"1635348"	487.08698	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+Na+CF3COOH"	136.98208
"1584124"	503.06092	"C11268"	"Biapenem"	"C15H18N4O4S"	"350.1049"	"M+K+CF3COOH"	152.95602
"813396"	823.3541	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M"	0
"988025"	804.33571	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-H2O-H"	-19.01839
"76998"	547.895457333333	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M-3H"	-3.021828
"518333"	822.346824	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M-3H"	-3.021828
"895255"	273.444090666667	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-3H"	-3.021828
"12205"	822.346824	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M-2H"	-2.014552
"452859"	1234.023874	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M-2H"	-2.014552
"827382"	410.669774	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-2H"	-2.014552
"88465"	1645.700924	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M-H"	-1.007276
"526932"	2469.055024	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M-H"	-1.007276
"904734"	822.346824	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-H"	-1.007276
"52547"	1662.727471	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M-2H+NH4"	16.019271
"491378"	2486.081571	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M-2H+NH4"	16.019271
"867720"	839.373371	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-2H+NH4"	16.019271
"34283"	1667.682866	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M-2H+Na"	20.974666
"478466"	2491.036966	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M-2H+Na"	20.974666
"852985"	844.328766	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-2H+Na"	20.974666
"1625804"	844.328766	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Na-2H"	20.974666
"99052"	840.335163	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M-H+Cl"	33.962126
"549270"	1252.012213	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M-H+Cl"	33.962126
"941375"	428.658113	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-H+Cl"	33.962126
"281875"	1681.677602	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+Cl"	34.969402
"674654"	2505.031702	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+Cl"	34.969402
"1286815"	858.323502	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Cl"	34.969402
"30106"	1683.656806	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M-2H+K"	36.948606
"470635"	2507.010906	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M-2H+K"	36.948606
"846741"	860.302706	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-2H+K"	36.948606
"1567676"	860.302706	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+K-2H"	36.948606
"957746"	868.352294	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-H+HCOOH"	44.998194
"375604"	1691.706401	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+HCOOH-H"	44.998201
"360821"	1705.722051	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+Hac-H"	59.013851
"1506861"	882.367951	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Hac-H"	59.013851
"973310"	890.334251	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-H+NaCOOH"	66.980151
"124035"	858.323502	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+2Cl"	69.938804
"559222"	1270.000552	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+2Cl"	69.938804
"1032395"	446.646452	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2Cl"	69.938804
"1253067"	902.272985	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Br"	78.918885
"1310046"	904.328972	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Cl+HCOOH"	80.974872
"1333015"	926.310929	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Cl+NaCOOH"	102.956829
"924804"	936.339686	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M-H+CF3COOH"	112.985586
"1291308"	972.316364	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Cl+CF3COOH"	148.962264
"1370199"	788.341424	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H-2H2O"	-35.012676
"1384050"	806.3514	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H-H2O"	-17.0027
"287383"	1647.715476	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+H"	1.007276
"678708"	2471.069576	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+H"	1.007276
"1358341"	824.361376	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H"	1.007276
"132327"	824.361376	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+2H"	2.014552
"571886"	1236.038426	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+2H"	2.014552
"1046155"	412.684326	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2H"	2.014552
"215151"	549.910009333333	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+3H"	3.021828
"652523"	824.361376	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+3H"	3.021828
"1169556"	275.458642666667	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+3H"	3.021828
"429548"	1664.742023	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+NH4"	18.033823
"793825"	2488.096123	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+NH4"	18.033823
"1691246"	841.387923	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+NH4"	18.033823
"340617"	832.8746495	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+H+NH4"	19.041099
"730850"	1244.5516995	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+H+NH4"	19.041099
"1483580"	421.1975995	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H+NH4"	19.041099
"398978"	1669.697418	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+Na"	22.989218
"763255"	2493.051518	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+Na"	22.989218
"1606250"	846.343318	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Na"	22.989218
"317018"	835.352347	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+H+Na"	23.996494
"719289"	1247.029397	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+H+Na"	23.996494
"1473108"	423.675297	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H+Na"	23.996494
"1063802"	282.785956666667	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2H+Na"	25.00377
"1268031"	856.387586	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+CH3OH+H"	33.033486
"389524"	1685.671358	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+K"	38.963158
"750518"	2509.025458	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+K"	38.963158
"1550752"	862.317258	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+K"	38.963158
"310112"	843.339317	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+H+K"	39.970434
"699258"	1255.016367	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+H+K"	39.970434
"1453078"	431.662267	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H+K"	39.970434
"247879"	1688.742026	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+ACN+H"	42.033826
"1216576"	865.387926	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+ACN+H"	42.033826
"1205928"	433.197601	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+ACN+2H"	43.041102
"196611"	1691.67936	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+2Na-H"	44.97116
"641277"	2515.03346	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+2Na-H"	44.97116
"1145517"	868.32526	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2Na-H"	44.97116
"178596"	846.343318	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+2Na"	45.978436
"618155"	1258.020368	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+2Na"	45.978436
"1120567"	434.666268	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2Na"	45.978436
"1411747"	290.113270666667	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H+2Na"	46.985712
"1440217"	870.366846	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H+HCOOH"	47.012746
"230278"	851.37634	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+3H2O+2H"	56.04448
"1518341"	884.41889	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+IsoProp+H"	61.06479
"418029"	854.330288	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+Na+K"	61.952376
"782307"	1266.007338	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+Na+K"	61.952376
"1677182"	442.653238	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Na+K"	61.952376
"264065"	1710.723968	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+ACN+Na"	64.015768
"1236414"	887.369868	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+ACN+Na"	64.015768
"1721291"	887.393393	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+NH4+HCOOH"	64.039293
"1183365"	297.440584666667	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+3Na"	68.967654
"1651434"	892.348788	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Na+HCOOH"	68.994688
"161210"	1723.62724	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+2K-H"	76.91904
"601863"	2546.98134	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+2K-H"	76.91904
"1090750"	900.27314	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2K-H"	76.91904
"147566"	862.317258	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"2M+2K"	77.926316
"588219"	1273.994308	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"3M+2K"	77.926316
"1076015"	450.640208	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2K"	77.926316
"1108130"	902.287692	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2K+H"	78.933592
"1342328"	902.375307	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+DMSO+H"	79.021207
"1009763"	906.414476	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2ACN+H"	83.060376
"1530074"	907.408108	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+IsoProp+Na+H"	84.054008
"999802"	453.710876	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+2ACN+2H"	84.067652
"1598680"	908.322728	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+K+HCOOH"	84.968628
"1415225"	938.354238	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+H+CF3COOH"	115.000138
"1147377"	474.224151	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+3ACN+2H"	125.094202
"1700899"	955.380785	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+NH4+CF3COOH"	132.026685
"1637647"	960.33618	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+Na+CF3COOH"	136.98208
"1584234"	976.31012	"C11269"	"Virginiamycin S1;Virginiamycin factor S"	"C43H49N7O10"	"823.3541"	"M+K+CF3COOH"	152.95602
"804758"	86.1096	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M"	0
"985949"	67.09121	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-H2O-H"	-19.01839
"76744"	56.399124	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M-3H"	-3.021828
"517397"	85.102324	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M-3H"	-3.021828
"892649"	27.695924	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-3H"	-3.021828
"13408"	85.102324	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M-2H"	-2.014552
"453943"	128.157124	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M-2H"	-2.014552
"828584"	42.047524	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-2H"	-2.014552
"84566"	171.211924	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M-H"	-1.007276
"524856"	257.321524	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M-H"	-1.007276
"902655"	85.102324	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-H"	-1.007276
"52656"	188.238471	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M-2H+NH4"	16.019271
"490028"	274.348071	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M-2H+NH4"	16.019271
"867100"	102.128871	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-2H+NH4"	16.019271
"33544"	193.193866	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M-2H+Na"	20.974666
"476751"	279.303466	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M-2H+Na"	20.974666
"852730"	107.084266	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-2H+Na"	20.974666
"1627007"	107.084266	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Na-2H"	20.974666
"101349"	103.090663	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M-H+Cl"	33.962126
"549947"	146.145463	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M-H+Cl"	33.962126
"941357"	60.035863	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-H+Cl"	33.962126
"282789"	207.188602	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+Cl"	34.969402
"674526"	293.298202	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+Cl"	34.969402
"1288143"	121.079002	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Cl"	34.969402
"27666"	209.167806	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M-2H+K"	36.948606
"470502"	295.277406	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M-2H+K"	36.948606
"846488"	123.058206	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-2H+K"	36.948606
"1566693"	123.058206	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+K-2H"	36.948606
"957129"	131.107794	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-H+HCOOH"	44.998194
"373165"	217.217401	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+HCOOH-H"	44.998201
"359838"	231.233051	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+Hac-H"	59.013851
"1505878"	145.123451	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Hac-H"	59.013851
"973053"	153.089751	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-H+NaCOOH"	66.980151
"124145"	121.079002	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+2Cl"	69.938804
"559332"	164.133802	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+2Cl"	69.938804
"1032505"	78.024202	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2Cl"	69.938804
"1252084"	165.028485	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Br"	78.918885
"1312343"	167.084472	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Cl+HCOOH"	80.974872
"1332031"	189.066429	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Cl+NaCOOH"	102.956829
"925278"	199.095186	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M-H+CF3COOH"	112.985586
"1298712"	235.071864	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Cl+CF3COOH"	148.962264
"1371769"	51.096924	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H-2H2O"	-35.012676
"1384161"	69.1069	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H-H2O"	-17.0027
"286765"	173.226476	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+H"	1.007276
"679186"	259.336076	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+H"	1.007276
"1359545"	87.116876	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H"	1.007276
"134622"	87.116876	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+2H"	2.014552
"573089"	130.171676	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+2H"	2.014552
"1046266"	44.062076	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2H"	2.014552
"208701"	58.413676	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+3H"	3.021828
"651541"	87.116876	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+3H"	3.021828
"1170759"	29.710476	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+3H"	3.021828
"429658"	190.253023	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+NH4"	18.033823
"793935"	276.362623	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+NH4"	18.033823
"1690262"	104.143423	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+NH4"	18.033823
"339636"	95.6301495	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+H+NH4"	19.041099
"732053"	138.6849495	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+H+NH4"	19.041099
"1486970"	52.5753495	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H+NH4"	19.041099
"401275"	195.208418	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+Na"	22.989218
"763366"	281.318018	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+Na"	22.989218
"1610370"	109.098818	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Na"	22.989218
"318221"	98.107847	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+H+Na"	23.996494
"712839"	141.162647	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+H+Na"	23.996494
"1468847"	55.053047	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H+Na"	23.996494
"1059902"	37.03779	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2H+Na"	25.00377
"1264861"	119.143086	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+CH3OH+H"	33.033486
"385623"	211.182358	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+K"	38.963158
"746618"	297.291958	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+K"	38.963158
"1549768"	125.072758	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+K"	38.963158
"308036"	106.094817	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+H+K"	39.970434
"700461"	149.149617	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+H+K"	39.970434
"1451002"	63.040017	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H+K"	39.970434
"245073"	214.253026	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+ACN+H"	42.033826
"1216686"	128.143426	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+ACN+H"	42.033826
"1206038"	64.575351	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+ACN+2H"	43.041102
"198908"	217.19036	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+2Na-H"	44.97116
"642115"	303.29996	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+2Na-H"	44.97116
"1140881"	131.08076	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2Na-H"	44.97116
"183080"	109.098818	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+2Na"	45.978436
"620453"	152.153618	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+2Na"	45.978436
"1126145"	66.044018	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2Na"	45.978436
"1407482"	44.365104	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H+2Na"	46.985712
"1441784"	133.122346	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H+HCOOH"	47.012746
"226013"	114.13184	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+3H2O+2H"	56.04448
"1519544"	147.17439	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+IsoProp+H"	61.06479
"420325"	117.085788	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+Na+K"	61.952376
"783511"	160.140588	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+Na+K"	61.952376
"1676567"	74.030988	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Na+K"	61.952376
"261992"	236.234968	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+ACN+Na"	64.015768
"1232513"	150.125368	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+ACN+Na"	64.015768
"1720306"	150.148893	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+NH4+HCOOH"	64.039293
"1178692"	51.692418	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+3Na"	68.967654
"1650205"	155.104288	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Na+HCOOH"	68.994688
"157211"	249.13824	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+2K-H"	76.91904
"597396"	335.24784	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+2K-H"	76.91904
"1085027"	163.02864	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2K-H"	76.91904
"144396"	125.072758	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"2M+2K"	77.926316
"585050"	168.127558	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"3M+2K"	77.926316
"1070293"	82.017958	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2K"	77.926316
"1102772"	165.043192	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2K+H"	78.933592
"1339157"	165.130807	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+DMSO+H"	79.021207
"1010966"	169.169976	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2ACN+H"	83.060376
"1526172"	170.163608	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+IsoProp+Na+H"	84.054008
"996632"	85.088626	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+2ACN+2H"	84.067652
"1595511"	171.078228	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+K+HCOOH"	84.968628
"1416067"	201.109738	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+H+CF3COOH"	115.000138
"1147053"	105.601901	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+3ACN+2H"	125.094202
"1698094"	218.136285	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+NH4+CF3COOH"	132.026685
"1637756"	223.09168	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+Na+CF3COOH"	136.98208
"1575596"	239.06562	"C11271"	"n-Hexane;Hexane"	"C6H14"	"86.1096"	"M+K+CF3COOH"	152.95602
"804868"	96.0375	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M"	0
"988246"	77.01911	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-H2O-H"	-19.01839
"76491"	63.017724	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M-3H"	-3.021828
"516051"	95.030224	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M-3H"	-3.021828
"893488"	31.005224	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-3H"	-3.021828
"13520"	95.030224	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M-2H"	-2.014552
"451988"	143.048974	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M-2H"	-2.014552
"827602"	47.011474	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-2H"	-2.014552
"87592"	191.067724	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M-H"	-1.007276
"524966"	287.105224	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M-H"	-1.007276
"901674"	95.030224	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-H"	-1.007276
"50579"	208.094271	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M-2H+NH4"	16.019271
"489773"	304.131771	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M-2H+NH4"	16.019271
"866483"	112.056771	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-2H+NH4"	16.019271
"31703"	213.049666	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M-2H+Na"	20.974666
"475404"	309.087166	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M-2H+Na"	20.974666
"852476"	117.012166	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-2H+Na"	20.974666
"1629306"	117.012166	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Na-2H"	20.974666
"101459"	113.018563	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M-H+Cl"	33.962126
"549776"	161.037313	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M-H+Cl"	33.962126
"941101"	64.999813	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-H+Cl"	33.962126
"281845"	227.044402	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+Cl"	34.969402
"674270"	323.081902	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+Cl"	34.969402
"1284485"	131.006902	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Cl"	34.969402
"24854"	229.023606	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M-2H+K"	36.948606
"467697"	325.061106	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M-2H+K"	36.948606
"845503"	132.986106	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-2H+K"	36.948606
"1565708"	132.986106	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+K-2H"	36.948606
"955781"	141.035694	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-H+HCOOH"	44.998194
"374733"	237.073201	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+HCOOH-H"	44.998201
"358247"	251.088851	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+Hac-H"	59.013851
"1506716"	155.051351	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Hac-H"	59.013851
"970973"	163.017651	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-H+NaCOOH"	66.980151
"124945"	131.006902	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+2Cl"	69.938804
"562722"	179.025652	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+2Cl"	69.938804
"1032615"	82.988152	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2Cl"	69.938804
"1252195"	174.956385	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Br"	78.918885
"1313546"	177.012372	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Cl+HCOOH"	80.974872
"1329950"	198.994329	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Cl+NaCOOH"	102.956829
"922106"	209.023086	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M-H+CF3COOH"	112.985586
"1297728"	244.999764	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Cl+CF3COOH"	148.962264
"1374796"	61.024824	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H-2H2O"	-35.012676
"1386822"	79.0348	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H-H2O"	-17.0027
"287603"	193.082276	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+H"	1.007276
"682213"	289.119776	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+H"	1.007276
"1357832"	97.044776	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H"	1.007276
"130723"	97.044776	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+2H"	2.014552
"571013"	145.063526	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+2H"	2.014552
"1044189"	49.026026	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2H"	2.014552
"209905"	65.032276	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+3H"	3.021828
"651651"	97.044776	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+3H"	3.021828
"1173056"	33.019776	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+3H"	3.021828
"434144"	210.108823	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+NH4"	18.033823
"791857"	306.146323	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+NH4"	18.033823
"1687094"	114.071323	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+NH4"	18.033823
"336467"	105.5580495	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+H+NH4"	19.041099
"731076"	153.5767995	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+H+NH4"	19.041099
"1484894"	57.5392995	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H+NH4"	19.041099
"401386"	215.064218	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+Na"	22.989218
"764569"	311.101718	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+Na"	22.989218
"1610480"	119.026718	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Na"	22.989218
"318331"	108.035747	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+H+Na"	23.996494
"709669"	156.054497	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+H+Na"	23.996494
"1464582"	60.016997	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H+Na"	23.996494
"1055639"	40.34709	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2H+Na"	25.00377
"1267156"	129.070986	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+CH3OH+H"	33.033486
"382451"	231.038158	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+K"	38.963158
"742354"	327.075658	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+K"	38.963158
"1545500"	135.000658	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+K"	38.963158
"305962"	116.022717	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+H+K"	39.970434
"699478"	164.041467	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+H+K"	39.970434
"1453299"	68.003967	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H+K"	39.970434
"246276"	234.108826	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+ACN+H"	42.033826
"1217891"	138.071326	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+ACN+H"	42.033826
"1205055"	69.539301	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+ACN+2H"	43.041102
"199019"	237.04616	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+2Na-H"	44.97116
"641132"	333.08366	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+2Na-H"	44.97116
"1139898"	141.00866	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2Na-H"	44.97116
"183190"	119.026718	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+2Na"	45.978436
"623844"	167.045468	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+2Na"	45.978436
"1125163"	71.007968	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2Na"	45.978436
"1404312"	47.674404	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H+2Na"	46.985712
"1438614"	143.050246	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H+HCOOH"	47.012746
"228311"	124.05974	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+3H2O+2H"	56.04448
"1519654"	157.10229	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+IsoProp+H"	61.06479
"419342"	127.013688	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+Na+K"	61.952376
"779246"	175.032438	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+Na+K"	61.952376
"1676676"	78.994938	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Na+K"	61.952376
"263560"	256.090768	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+ACN+Na"	64.015768
"1236995"	160.053268	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+ACN+Na"	64.015768
"1721509"	160.076793	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+NH4+HCOOH"	64.039293
"1180305"	55.001718	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+3Na"	68.967654
"1650800"	165.032188	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Na+HCOOH"	68.994688
"159246"	268.99404	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+2K-H"	76.91904
"599899"	365.03154	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+2K-H"	76.91904
"1087692"	172.95654	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2K-H"	76.91904
"145964"	135.000658	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"2M+2K"	77.926316
"586617"	183.019408	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"3M+2K"	77.926316
"1072592"	86.981908	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2K"	77.926316
"1103978"	174.971092	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2K+H"	78.933592
"1340363"	175.058707	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+DMSO+H"	79.021207
"1009251"	179.097876	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2ACN+H"	83.060376
"1529201"	180.091508	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+IsoProp+Na+H"	84.054008
"996742"	90.052576	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+2ACN+2H"	84.067652
"1596714"	181.006128	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+K+HCOOH"	84.968628
"1416907"	211.037638	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+H+CF3COOH"	115.000138
"1157039"	110.565851	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+3ACN+2H"	125.094202
"1698934"	228.064185	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+NH4+CF3COOH"	132.026685
"1640056"	233.01958	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+Na+CF3COOH"	136.98208
"1575706"	248.99352	"C11272"	"Fluorobenzene"	"C6H5F"	"96.0375"	"M+K+CF3COOH"	152.95602
"812633"	468.1829	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M"	0
"978510"	449.16451	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-H2O-H"	-19.01839
"62874"	311.114657333333	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M-3H"	-3.021828
"508500"	467.175624	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M-3H"	-3.021828
"893235"	155.053690666667	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-3H"	-3.021828
"12538"	467.175624	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M-2H"	-2.014552
"452828"	701.267074	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M-2H"	-2.014552
"827713"	233.084174	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-2H"	-2.014552
"86609"	935.358524	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M-H"	-1.007276
"527263"	1403.541424	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M-H"	-1.007276
"900690"	467.175624	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-H"	-1.007276
"51053"	952.385071	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M-2H+NH4"	16.019271
"489156"	1420.567971	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M-2H+NH4"	16.019271
"866593"	484.202171	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-2H+NH4"	16.019271
"32545"	957.340466	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M-2H+Na"	20.974666
"476608"	1425.523366	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M-2H+Na"	20.974666
"853317"	489.157566	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-2H+Na"	20.974666
"1621759"	489.157566	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Na-2H"	20.974666
"97194"	485.163963	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M-H+Cl"	33.962126
"542225"	719.255413	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M-H+Cl"	33.962126
"941575"	251.072513	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-H+Cl"	33.962126
"282770"	971.335202	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+Cl"	34.969402
"673289"	1439.518102	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+Cl"	34.969402
"1285689"	503.152302	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Cl"	34.969402
"29701"	973.314406	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M-2H+K"	36.948606
"468900"	1441.497306	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M-2H+K"	36.948606
"844511"	505.131506	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-2H+K"	36.948606
"1564725"	505.131506	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+K-2H"	36.948606
"951513"	513.181094	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-H+HCOOH"	44.998194
"368639"	981.364001	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+HCOOH-H"	44.998201
"359087"	995.379651	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+Hac-H"	59.013851
"1503541"	527.196751	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Hac-H"	59.013851
"969990"	535.163051	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-H+NaCOOH"	66.980151
"122178"	503.152302	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+2Cl"	69.938804
"559552"	737.243752	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+2Cl"	69.938804
"1031632"	269.060852	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2Cl"	69.938804
"1252305"	547.101785	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Br"	78.918885
"1313656"	549.157772	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Cl+HCOOH"	80.974872
"1328967"	571.139729	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Cl+NaCOOH"	102.956829
"923309"	581.168486	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M-H+CF3COOH"	112.985586
"1296745"	617.145164	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Cl+CF3COOH"	148.962264
"1375999"	433.170224	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H-2H2O"	-35.012676
"1385840"	451.1802	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H-H2O"	-17.0027
"290996"	937.373076	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+H"	1.007276
"682323"	1405.555976	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+H"	1.007276
"1359767"	469.190176	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H"	1.007276
"131563"	469.190176	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+2H"	2.014552
"574405"	703.281626	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+2H"	2.014552
"1047581"	235.098726	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2H"	2.014552
"211108"	313.129209333333	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+3H"	3.021828
"651762"	469.190176	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+3H"	3.021828
"1173166"	157.068242666667	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+3H"	3.021828
"434252"	954.399623	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+NH4"	18.033823
"787594"	1422.582523	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+NH4"	18.033823
"1686111"	486.216723	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+NH4"	18.033823
"335483"	477.7034495	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+H+NH4"	19.041099
"731186"	711.7948995	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+H+NH4"	19.041099
"1483910"	243.6119995	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H+NH4"	19.041099
"400402"	959.355018	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+Na"	22.989218
"764677"	1427.537918	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+Na"	22.989218
"1610590"	491.172118	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Na"	22.989218
"321722"	480.181147	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+H+Na"	23.996494
"711963"	714.272597	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+H+Na"	23.996494
"1466878"	246.089697	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H+Na"	23.996494
"1056842"	164.395556666667	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2H+Na"	25.00377
"1261800"	501.216386	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+CH3OH+H"	33.033486
"381466"	975.328958	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+K"	38.963158
"741005"	1443.511858	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+K"	38.963158
"1544517"	507.146058	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+K"	38.963158
"304978"	488.168117	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+H+K"	39.970434
"697398"	722.259567	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+H+K"	39.970434
"1453406"	254.076667	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H+K"	39.970434
"243106"	978.399626	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+ACN+H"	42.033826
"1218001"	510.216726	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+ACN+H"	42.033826
"1205894"	255.612001	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+ACN+2H"	43.041102
"195848"	981.33696	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+2Na-H"	44.97116
"639055"	1449.51986	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+2Na-H"	44.97116
"1141101"	513.15406	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2Na-H"	44.97116
"183300"	491.172118	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+2Na"	45.978436
"619579"	725.263568	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+2Na"	45.978436
"1125273"	257.080668	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2Na"	45.978436
"1407701"	171.722870666667	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H+2Na"	46.985712
"1436537"	515.195646	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H+HCOOH"	47.012746
"231702"	496.20514	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+3H2O+2H"	56.04448
"1520861"	529.24769	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+IsoProp+H"	61.06479
"421638"	499.159088	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+Na+K"	61.952376
"782636"	733.250538	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+Na+K"	61.952376
"1677873"	265.067638	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Na+K"	61.952376
"264763"	1000.381568	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+ACN+Na"	64.015768
"1237105"	532.198668	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+ACN+Na"	64.015768
"1724899"	532.222193	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+NH4+HCOOH"	64.039293
"1182602"	179.050184666667	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+3Na"	68.967654
"1650222"	537.177588	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Na+HCOOH"	68.994688
"159598"	1013.28484	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+2K-H"	76.91904
"600009"	1481.46774	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+2K-H"	76.91904
"1087802"	545.10194	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2K-H"	76.91904
"147897"	507.146058	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"2M+2K"	77.926316
"585634"	741.237508	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"3M+2K"	77.926316
"1072701"	273.054608	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2K"	77.926316
"1104452"	547.116492	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2K+H"	78.933592
"1341566"	547.204107	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+DMSO+H"	79.021207
"1008269"	551.243276	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2ACN+H"	83.060376
"1529311"	552.236908	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+IsoProp+Na+H"	84.054008
"996853"	276.125276	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+2ACN+2H"	84.067652
"1597917"	553.151528	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+K+HCOOH"	84.968628
"1417018"	583.183038	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+H+CF3COOH"	115.000138
"1156056"	296.638551	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+3ACN+2H"	125.094202
"1697951"	600.209585	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+NH4+CF3COOH"	132.026685
"1643446"	605.16498	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+Na+CF3COOH"	136.98208
"1575816"	621.13892	"C11273"	"Acriflavine"	"C14H14N3C13H11N3Cl"	"468.1829"	"M+K+CF3COOH"	152.95602
"805088"	348.9231	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M"	0
"978620"	329.90471	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-H2O-H"	-19.01839
"63702"	231.608124	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M-3H"	-3.021828
"503504"	347.915824	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M-3H"	-3.021828
"893710"	115.300424	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-3H"	-3.021828
"13500"	347.915824	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M-2H"	-2.014552
"452939"	522.377374	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M-2H"	-2.014552
"829283"	173.454274	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-2H"	-2.014552
"90000"	696.838924	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M-H"	-1.007276
"529560"	1045.762024	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M-H"	-1.007276
"900800"	347.915824	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-H"	-1.007276
"52986"	713.865471	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M-2H+NH4"	16.019271
"491454"	1062.788571	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M-2H+NH4"	16.019271
"868891"	364.942371	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-2H+NH4"	16.019271
"32415"	718.820866	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M-2H+Na"	20.974666
"475625"	1067.743966	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M-2H+Na"	20.974666
"853427"	369.897766	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-2H+Na"	20.974666
"1626243"	369.897766	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Na-2H"	20.974666
"99491"	365.904163	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M-H+Cl"	33.962126
"542335"	540.365713	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M-H+Cl"	33.962126
"939863"	191.442613	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-H+Cl"	33.962126
"279876"	732.815602	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+Cl"	34.969402
"672305"	1081.738702	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+Cl"	34.969402
"1285799"	383.892502	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Cl"	34.969402
"26167"	734.794806	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M-2H+K"	36.948606
"466823"	1083.717906	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M-2H+K"	36.948606
"841342"	385.871706	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-2H+K"	36.948606
"1564835"	385.871706	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+K-2H"	36.948606
"951623"	393.921294	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-H+HCOOH"	44.998194
"368020"	742.844401	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+HCOOH-H"	44.998201
"358102"	756.860051	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+Hac-H"	59.013851
"1505838"	407.936951	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Hac-H"	59.013851
"970100"	415.903251	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-H+NaCOOH"	66.980151
"122287"	383.892502	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+2Cl"	69.938804
"561849"	558.354052	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+2Cl"	69.938804
"1030648"	209.430952	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2Cl"	69.938804
"1251321"	427.841985	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Br"	78.918885
"1312673"	429.897972	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Cl+HCOOH"	80.974872
"1325798"	451.879929	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Cl+NaCOOH"	102.956829
"925243"	461.908686	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M-H+CF3COOH"	112.985586
"1299042"	497.885364	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Cl+CF3COOH"	148.962264
"1376838"	313.910424	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H-2H2O"	-35.012676
"1391420"	331.9204	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H-H2O"	-17.0027
"291106"	698.853476	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+H"	1.007276
"682434"	1047.776576	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+H"	1.007276
"1358784"	349.930376	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H"	1.007276
"133860"	349.930376	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+2H"	2.014552
"574515"	524.391926	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+2H"	2.014552
"1049878"	175.468826	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2H"	2.014552
"216686"	233.622676	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+3H"	3.021828
"652966"	349.930376	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+3H"	3.021828
"1174371"	117.314976	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+3H"	3.021828
"428895"	715.880023	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+NH4"	18.033823
"790985"	1064.803123	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+NH4"	18.033823
"1685129"	366.956923	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+NH4"	18.033823
"336688"	358.4436495	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+H+NH4"	19.041099
"730203"	532.9051995	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+H+NH4"	19.041099
"1485115"	183.9820995	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H+NH4"	19.041099
"404884"	720.835418	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+Na"	22.989218
"766610"	1069.758518	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+Na"	22.989218
"1612886"	371.912318	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Na"	22.989218
"324020"	360.921347	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+H+Na"	23.996494
"712076"	535.382897	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+H+Na"	23.996494
"1466989"	186.459797	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H+Na"	23.996494
"1057680"	124.64229	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2H+Na"	25.00377
"1258993"	381.956586	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+CH3OH+H"	33.033486
"381941"	736.809358	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+K"	38.963158
"741115"	1085.732458	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+K"	38.963158
"1540491"	387.886258	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+K"	38.963158
"305085"	368.908317	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+H+K"	39.970434
"696412"	543.369867	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+H+K"	39.970434
"1452423"	194.446767	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H+K"	39.970434
"244308"	739.880026	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+ACN+H"	42.033826
"1217018"	390.956926	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+ACN+H"	42.033826
"1203088"	195.982101	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+ACN+2H"	43.041102
"193771"	742.81736	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+2Na-H"	44.97116
"639529"	1091.74046	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+2Na-H"	44.97116
"1140118"	393.89426	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2Na-H"	44.97116
"182317"	371.912318	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+2Na"	45.978436
"618596"	546.373868	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+2Na"	45.978436
"1120279"	197.450768	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2Na"	45.978436
"1406718"	131.969604	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H+2Na"	46.985712
"1436647"	395.935846	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H+HCOOH"	47.012746
"231815"	376.94534	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+3H2O+2H"	56.04448
"1522428"	409.98789	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+IsoProp+H"	61.06479
"419562"	379.899288	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+Na+K"	61.952376
"779465"	554.360838	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+Na+K"	61.952376
"1674703"	205.437738	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Na+K"	61.952376
"261222"	761.861968	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+ACN+Na"	64.015768
"1235025"	412.938868	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+ACN+Na"	64.015768
"1721729"	412.962393	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+NH4+HCOOH"	64.039293
"1183806"	139.296918	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+3Na"	68.967654
"1651876"	417.917788	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Na+HCOOH"	68.994688
"162748"	774.76524	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+2K-H"	76.91904
"599632"	1123.68834	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+2K-H"	76.91904
"1090100"	425.84214	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2K-H"	76.91904
"146914"	387.886258	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"2M+2K"	77.926316
"588661"	562.347808	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"3M+2K"	77.926316
"1072812"	213.424708	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2K"	77.926316
"1103833"	427.856692	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2K+H"	78.933592
"1341676"	427.944307	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+DMSO+H"	79.021207
"1008016"	431.983476	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2ACN+H"	83.060376
"1527234"	432.977108	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+IsoProp+Na+H"	84.054008
"998056"	216.495376	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+2ACN+2H"	84.067652
"1598027"	433.891728	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+K+HCOOH"	84.968628
"1418221"	463.923238	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+H+CF3COOH"	115.000138
"1157261"	237.008651	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+3ACN+2H"	125.094202
"1701342"	480.949785	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+NH4+CF3COOH"	132.026685
"1646837"	485.90518	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+Na+CF3COOH"	136.98208
"1584674"	501.87912	"C11274"	"Tetrachlorosalicylanilide;2-Hydroxy-3456-tetrachlorobenzanilide"	"C13H7Cl4NO2"	"348.9231"	"M+K+CF3COOH"	152.95602
"805198"	363.2501	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M"	0
"978730"	344.23171	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-H2O-H"	-19.01839
"64784"	241.159457333333	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M-3H"	-3.021828
"504706"	362.242824	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M-3H"	-3.021828
"893089"	120.076090666667	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-3H"	-3.021828
"12761"	362.242824	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M-2H"	-2.014552
"454387"	543.867874	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M-2H"	-2.014552
"830123"	180.617774	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-2H"	-2.014552
"90110"	725.492924	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M-H"	-1.007276
"529670"	1088.743024	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M-H"	-1.007276
"899817"	362.242824	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-H"	-1.007276
"53096"	742.519471	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M-2H+NH4"	16.019271
"491199"	1105.769571	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M-2H+NH4"	16.019271
"871553"	379.269371	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-2H+NH4"	16.019271
"33008"	747.474866	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M-2H+Na"	20.974666
"477192"	1110.724966	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M-2H+Na"	20.974666
"854630"	384.224766	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-2H+Na"	20.974666
"1623797"	384.224766	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Na-2H"	20.974666
"100691"	380.231163	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M-H+Cl"	33.962126
"544629"	561.856213	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M-H+Cl"	33.962126
"940337"	198.606113	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-H+Cl"	33.962126
"276707"	761.469602	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+Cl"	34.969402
"670958"	1124.719702	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+Cl"	34.969402
"1286517"	398.219502	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Cl"	34.969402
"27370"	763.448806	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M-2H+K"	36.948606
"468755"	1126.698906	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M-2H+K"	36.948606
"840359"	400.198706	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-2H+K"	36.948606
"1566038"	400.198706	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+K-2H"	36.948606
"955012"	408.248294	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-H+HCOOH"	44.998194
"366671"	771.498401	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+HCOOH-H"	44.998201
"357120"	785.514051	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+Hac-H"	59.013851
"1501575"	422.263951	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Hac-H"	59.013851
"969847"	430.230251	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-H+NaCOOH"	66.980151
"122398"	398.219502	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+2Cl"	69.938804
"560866"	579.844552	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+2Cl"	69.938804
"1029665"	216.594452	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2Cl"	69.938804
"1252525"	442.168985	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Br"	78.918885
"1313876"	444.224972	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Cl+HCOOH"	80.974872
"1329187"	466.206929	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Cl+NaCOOH"	102.956829
"919150"	476.235686	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M-H+CF3COOH"	112.985586
"1299152"	512.212364	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Cl+CF3COOH"	148.962264
"1374032"	328.237424	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H-2H2O"	-35.012676
"1390436"	346.2474	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H-H2O"	-17.0027
"293403"	727.507476	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+H"	1.007276
"682544"	1090.757576	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+H"	1.007276
"1359988"	364.257376	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H"	1.007276
"136157"	364.257376	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+2H"	2.014552
"578999"	545.882426	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+2H"	2.014552
"1046707"	182.632326	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2H"	2.014552
"214610"	243.174009333333	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+3H"	3.021828
"656355"	364.257376	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+3H"	3.021828
"1167920"	122.090642666667	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+3H"	3.021828
"432285"	744.534023	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+NH4"	18.033823
"790001"	1107.784123	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+NH4"	18.033823
"1686330"	381.283923	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+NH4"	18.033823
"335704"	372.7706495	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+H+NH4"	19.041099
"730311"	554.3956995	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+H+NH4"	19.041099
"1485223"	191.1455995	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H+NH4"	19.041099
"404994"	749.489418	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+Na"	22.989218
"766718"	1112.739518	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+Na"	22.989218
"1612996"	386.239318	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Na"	22.989218
"319755"	375.248347	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+H+Na"	23.996494
"711093"	556.873397	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+H+Na"	23.996494
"1464547"	193.623297	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H+Na"	23.996494
"1055968"	129.417956666667	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2H+Na"	25.00377
"1260197"	396.283586	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+CH3OH+H"	33.033486
"379136"	765.463358	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+K"	38.963158
"740132"	1128.713458	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+K"	38.963158
"1540722"	402.213258	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+K"	38.963158
"300821"	383.235317	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+H+K"	39.970434
"693242"	564.860367	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+H+K"	39.970434
"1448160"	201.610267	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H+K"	39.970434
"240045"	768.534026	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+ACN+H"	42.033826
"1217128"	405.283926	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+ACN+H"	42.033826
"1203198"	203.145601	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+ACN+2H"	43.041102
"193152"	771.47136	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+2Na-H"	44.97116
"639639"	1134.72146	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+2Na-H"	44.97116
"1139134"	408.22126	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2Na-H"	44.97116
"179147"	386.239318	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+2Na"	45.978436
"615060"	567.864368	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+2Na"	45.978436
"1126586"	204.614268	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2Na"	45.978436
"1405735"	136.745270666667	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H+2Na"	46.985712
"1434569"	410.262846	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H+HCOOH"	47.012746
"228644"	391.27234	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+3H2O+2H"	56.04448
"1517799"	424.31489	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+IsoProp+H"	61.06479
"414205"	394.226288	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+Na+K"	61.952376
"776295"	575.851338	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+Na+K"	61.952376
"1672627"	212.601238	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Na+K"	61.952376
"259146"	790.515968	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+ACN+Na"	64.015768
"1228574"	427.265868	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+ACN+Na"	64.015768
"1722933"	427.289393	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+NH4+HCOOH"	64.039293
"1181729"	144.072584666667	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+3Na"	68.967654
"1651986"	432.244788	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Na+HCOOH"	68.994688
"162858"	803.41924	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+2K-H"	76.91904
"601324"	1166.66934	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+2K-H"	76.91904
"1092397"	440.16914	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2K-H"	76.91904
"150305"	402.213258	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"2M+2K"	77.926316
"589865"	583.838308	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"3M+2K"	77.926316
"1072558"	220.588208	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2K"	77.926316
"1109775"	442.183692	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2K+H"	78.933592
"1345066"	442.271307	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+DMSO+H"	79.021207
"1010313"	446.310476	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2ACN+H"	83.060376
"1528437"	447.304108	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+IsoProp+Na+H"	84.054008
"997072"	223.658876	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+2ACN+2H"	84.067652
"1598137"	448.218728	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+K+HCOOH"	84.968628
"1417238"	478.250238	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+H+CF3COOH"	115.000138
"1158464"	244.172151	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+3ACN+2H"	125.094202
"1700359"	495.276785	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+NH4+CF3COOH"	132.026685
"1646947"	500.23218	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+Na+CF3COOH"	136.98208
"1584784"	516.20612	"C11275"	"Cetyltrimethylammonium bromide;Cetrimonium bromide;Trimethylcetylammonium bromide;Hexadecanyltrimethylammonium bromide;CTAB"	"C19H42NBr"	"363.2501"	"M+K+CF3COOH"	152.95602
"814056"	308.0555	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M"	0
"982120"	289.03711	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-H2O-H"	-19.01839
"65258"	204.363057333333	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M-3H"	-3.021828
"504819"	307.048224	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M-3H"	-3.021828
"891007"	101.677890666667	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-3H"	-3.021828
"15302"	307.048224	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M-2H"	-2.014552
"455389"	461.075974	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M-2H"	-2.014552
"832259"	153.020474	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-2H"	-2.014552
"93138"	615.103724	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M-H"	-1.007276
"528686"	923.159224	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M-H"	-1.007276
"908675"	307.048224	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-H"	-1.007276
"51020"	632.130271	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M-2H+NH4"	16.019271
"491310"	940.185771	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M-2H+NH4"	16.019271
"867288"	324.074771	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-2H+NH4"	16.019271
"32635"	637.085666	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M-2H+Na"	20.974666
"479126"	945.141166	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M-2H+Na"	20.974666
"852188"	329.030166	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-2H+Na"	20.974666
"1623180"	329.030166	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Na-2H"	20.974666
"101896"	325.036563	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M-H+Cl"	33.962126
"542549"	479.064313	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M-H+Cl"	33.962126
"938257"	171.008813	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-H+Cl"	33.962126
"275720"	651.080402	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+Cl"	34.969402
"671797"	959.135902	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+Cl"	34.969402
"1286387"	343.024902	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Cl"	34.969402
"29667"	653.059606	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M-2H+K"	36.948606
"467043"	961.115106	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M-2H+K"	36.948606
"845573"	345.004106	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-2H+K"	36.948606
"1568336"	345.004106	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+K-2H"	36.948606
"954029"	353.053694	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-H+HCOOH"	44.998194
"374441"	661.109201	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+HCOOH-H"	44.998201
"359056"	675.124851	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+Hac-H"	59.013851
"1504605"	367.069351	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Hac-H"	59.013851
"969229"	375.035651	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-H+NaCOOH"	66.980151
"121780"	343.024902	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+2Cl"	69.938804
"560978"	497.052652	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+2Cl"	69.938804
"1027224"	188.997152	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2Cl"	69.938804
"1251542"	386.974385	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Br"	78.918885
"1313989"	389.030372	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Cl+HCOOH"	80.974872
"1327114"	411.012329	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Cl+NaCOOH"	102.956829
"918171"	421.041086	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M-H+CF3COOH"	112.985586
"1298168"	457.017764	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Cl+CF3COOH"	148.962264
"1379609"	273.042824	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H-2H2O"	-35.012676
"1398289"	291.0528	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H-H2O"	-17.0027
"296793"	617.118276	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+H"	1.007276
"689216"	925.173776	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+H"	1.007276
"1365566"	309.062776	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H"	1.007276
"137361"	309.062776	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+2H"	2.014552
"581142"	463.090526	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+2H"	2.014552
"1051191"	155.035026	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2H"	2.014552
"219832"	206.377609333333	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+3H"	3.021828
"658653"	309.062776	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+3H"	3.021828
"1175687"	103.692442666667	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+3H"	3.021828
"436772"	634.144823	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+NH4"	18.033823
"792299"	942.200323	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+NH4"	18.033823
"1691910"	326.089323	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+NH4"	18.033823
"344564"	317.5760495	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+H+NH4"	19.041099
"729330"	471.6037995	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+H+NH4"	19.041099
"1489346"	163.5482995	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H+NH4"	19.041099
"404015"	639.100218	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+Na"	22.989218
"763916"	947.155718	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+Na"	22.989218
"1615295"	331.044718	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Na"	22.989218
"327157"	320.053747	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+H+Na"	23.996494
"711204"	474.081497	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+H+Na"	23.996494
"1463931"	166.025997	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H+Na"	23.996494
"1056081"	111.019756666667	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2H+Na"	25.00377
"1262132"	341.088986	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+CH3OH+H"	33.033486
"382892"	655.074158	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+K"	38.963158
"741700"	963.129658	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+K"	38.963158
"1542292"	347.018658	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+K"	38.963158
"303117"	328.040717	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+H+K"	39.970434
"693355"	482.068467	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+H+K"	39.970434
"1450456"	174.012967	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H+K"	39.970434
"246716"	658.144826	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+ACN+H"	42.033826
"1219424"	350.089326	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+ACN+H"	42.033826
"1206590"	175.548301	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+ACN+2H"	43.041102
"196179"	661.08216	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+2Na-H"	44.97116
"639022"	969.13766	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+2Na-H"	44.97116
"1141433"	353.02666	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2Na-H"	44.97116
"181445"	331.044718	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+2Na"	45.978436
"621368"	485.072468	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+2Na"	45.978436
"1123778"	177.016968	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2Na"	45.978436
"1408031"	118.347070666667	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H+2Na"	46.985712
"1440148"	355.068246	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H+HCOOH"	47.012746
"232037"	336.07774	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+3H2O+2H"	56.04448
"1519005"	369.12029	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+IsoProp+H"	61.06479
"414317"	339.031688	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+Na+K"	61.952376
"781874"	493.059438	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+Na+K"	61.952376
"1672737"	185.003938	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Na+K"	61.952376
"258163"	680.126768	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+ACN+Na"	64.015768
"1228319"	372.071268	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+ACN+Na"	64.015768
"1727786"	372.094793	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+NH4+HCOOH"	64.039293
"1192046"	125.674384666667	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+3Na"	68.967654
"1664126"	377.050188	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Na+HCOOH"	68.994688
"169529"	693.03004	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+2K-H"	76.91904
"603621"	1001.08554	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+2K-H"	76.91904
"1096880"	384.97454	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2K-H"	76.91904
"152602"	347.018658	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"2M+2K"	77.926316
"592162"	501.046408	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"3M+2K"	77.926316
"1080325"	192.990908	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2K"	77.926316
"1112073"	386.989092	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2K+H"	78.933592
"1347362"	387.076707	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+DMSO+H"	79.021207
"1013703"	391.115876	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2ACN+H"	83.060376
"1531829"	392.109508	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+IsoProp+Na+H"	84.054008
"997182"	196.061576	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+2ACN+2H"	84.067652
"1597154"	393.024128	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+K+HCOOH"	84.968628
"1421724"	423.055638	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+H+CF3COOH"	115.000138
"1158574"	216.574851	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+3ACN+2H"	125.094202
"1700469"	440.082185	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+NH4+CF3COOH"	132.026685
"1645964"	445.03758	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+Na+CF3COOH"	136.98208
"1584894"	461.01152	"C11276"	"Nimustine hydrochloride;ACNU"	"C9H13ClN6O2HCl"	"308.0555"	"M+K+CF3COOH"	152.95602
"808698"	273.0627	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M"	0
"978950"	254.04431	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-H2O-H"	-19.01839
"65002"	181.034524	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M-3H"	-3.021828
"504926"	272.055424	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M-3H"	-3.021828
"882367"	90.013624	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-3H"	-3.021828
"14439"	272.055424	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M-2H"	-2.014552
"453999"	408.586774	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M-2H"	-2.014552
"829979"	135.524074	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-2H"	-2.014552
"91424"	545.118124	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M-H"	-1.007276
"525516"	818.180824	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M-H"	-1.007276
"901494"	272.055424	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-H"	-1.007276
"50400"	562.144671	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M-2H+NH4"	16.019271
"488865"	835.207371	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M-2H+NH4"	16.019271
"864716"	289.081971	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-2H+NH4"	16.019271
"32372"	567.100066	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M-2H+Na"	20.974666
"475589"	840.162766	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M-2H+Na"	20.974666
"852662"	294.037366	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-2H+Na"	20.974666
"1623289"	294.037366	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Na-2H"	20.974666
"104194"	290.043763	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M-H+Cl"	33.962126
"542661"	426.575113	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M-H+Cl"	33.962126
"940919"	153.512413	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-H+Cl"	33.962126
"275830"	581.094802	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+Cl"	34.969402
"672635"	854.157502	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+Cl"	34.969402
"1285403"	308.032102	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Cl"	34.969402
"27955"	583.074006	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M-2H+K"	36.948606
"469339"	856.136706	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M-2H+K"	36.948606
"841672"	310.011306	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-2H+K"	36.948606
"1568446"	310.011306	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+K-2H"	36.948606
"956325"	318.060894	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-H+HCOOH"	44.998194
"374913"	591.123601	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+HCOOH-H"	44.998201
"357342"	605.139251	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+Hac-H"	59.013851
"1505081"	332.076551	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Hac-H"	59.013851
"970797"	340.042851	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-H+NaCOOH"	66.980151
"118974"	308.032102	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+2Cl"	69.938804
"560359"	444.563452	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+2Cl"	69.938804
"1028063"	171.500752	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2Cl"	69.938804
"1251652"	351.981585	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Br"	78.918885
"1314101"	354.037572	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Cl+HCOOH"	80.974872
"1329410"	376.019529	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Cl+NaCOOH"	102.956829
"919375"	386.048286	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M-H+CF3COOH"	112.985586
"1296091"	422.024964	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Cl+CF3COOH"	148.962264
"1370972"	238.050024	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H-2H2O"	-35.012676
"1398429"	256.06	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H-H2O"	-17.0027
"296903"	547.132676	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+H"	1.007276
"684951"	820.195376	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+H"	1.007276
"1362395"	274.069976	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H"	1.007276
"141322"	274.069976	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+2H"	2.014552
"581367"	410.601326	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+2H"	2.014552
"1052731"	137.538626	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2H"	2.014552
"219083"	183.049076	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+3H"	3.021828
"659255"	274.069976	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+3H"	3.021828
"1177378"	92.028176	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+3H"	3.021828
"436882"	564.159223	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+NH4"	18.033823
"796783"	837.221923	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+NH4"	18.033823
"1693843"	291.096523	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+NH4"	18.033823
"344312"	282.5832495	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+H+NH4"	19.041099
"734908"	419.1145995	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+H+NH4"	19.041099
"1489456"	146.0518995	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H+NH4"	19.041099
"405948"	569.114618	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+Na"	22.989218
"767307"	842.177318	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+Na"	22.989218
"1615405"	296.051918	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Na"	22.989218
"327631"	285.060947	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+H+Na"	23.996494
"722122"	421.592297	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+H+Na"	23.996494
"1466227"	148.529597	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H+Na"	23.996494
"1058378"	99.35549	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2H+Na"	25.00377
"1259691"	306.096186	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+CH3OH+H"	33.033486
"386283"	585.088558	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+K"	38.963158
"741810"	858.151258	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+K"	38.963158
"1542402"	312.025858	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+K"	38.963158
"302134"	293.047917	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+H+K"	39.970434
"692372"	429.579267	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+H+K"	39.970434
"1449473"	156.516567	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H+K"	39.970434
"244639"	588.159226	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+ACN+H"	42.033826
"1218441"	315.096526	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+ACN+H"	42.033826
"1203418"	158.051901	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+ACN+2H"	43.041102
"196289"	591.09656	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+2Na-H"	44.97116
"639131"	864.15926	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+2Na-H"	44.97116
"1141544"	318.03386	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2Na-H"	44.97116
"179002"	296.051918	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+2Na"	45.978436
"625123"	432.583268	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+2Na"	45.978436
"1123888"	159.520568	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2Na"	45.978436
"1407777"	106.682804	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H+2Na"	46.985712
"1440263"	320.075446	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H+HCOOH"	47.012746
"229960"	301.08494	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+3H2O+2H"	56.04448
"1518018"	334.12749	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+IsoProp+H"	61.06479
"417705"	304.038888	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+Na+K"	61.952376
"780890"	440.570238	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+Na+K"	61.952376
"1676127"	167.507538	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Na+K"	61.952376
"259366"	610.141168	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+ACN+Na"	64.015768
"1234262"	337.078468	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+ACN+Na"	64.015768
"1727167"	337.101993	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+NH4+HCOOH"	64.039293
"1191426"	114.010118	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+3Na"	68.967654
"1659497"	342.057388	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Na+HCOOH"	68.994688
"166359"	623.04444	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+2K-H"	76.91904
"603731"	896.10714	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+2K-H"	76.91904
"1095897"	349.98174	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2K-H"	76.91904
"149432"	312.025858	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"2M+2K"	77.926316
"591178"	448.557208	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"3M+2K"	77.926316
"1078976"	175.494508	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2K"	77.926316
"1108903"	351.996292	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2K+H"	78.933592
"1345287"	352.083907	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+DMSO+H"	79.021207
"1017094"	356.123076	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2ACN+H"	83.060376
"1536314"	357.116708	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+IsoProp+Na+H"	84.054008
"999481"	178.565176	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+2ACN+2H"	84.067652
"1597265"	358.031328	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+K+HCOOH"	84.968628
"1424018"	388.062838	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+H+CF3COOH"	115.000138
"1158680"	199.078451	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+3ACN+2H"	125.094202
"1698393"	405.089385	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+NH4+CF3COOH"	132.026685
"1646074"	410.04478	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+Na+CF3COOH"	136.98208
"1585004"	426.01872	"C11277"	"Adefovir;PMEA;9-(2-Phosphonylmethoxyethyl)adenine"	"C8H12N5O4P"	"273.0627"	"M+K+CF3COOH"	152.95602
"805528"	635.1421	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M"	0
"979060"	616.12371	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-H2O-H"	-19.01839
"66206"	422.420790666667	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M-3H"	-3.021828
"507951"	634.134824	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M-3H"	-3.021828
"882477"	210.706757333333	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-3H"	-3.021828
"13455"	634.134824	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M-2H"	-2.014552
"454109"	951.705874	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M-2H"	-2.014552
"828631"	316.563774	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-2H"	-2.014552
"91534"	1269.276924	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M-H"	-1.007276
"525626"	1904.419024	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M-H"	-1.007276
"901240"	634.134824	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-H"	-1.007276
"53426"	1286.303471	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M-2H+NH4"	16.019271
"488972"	1921.445571	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M-2H+NH4"	16.019271
"864626"	651.161371	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-2H+NH4"	16.019271
"32117"	1291.258866	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M-2H+Na"	20.974666
"476065"	1926.400966	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M-2H+Na"	20.974666
"851679"	656.116766	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-2H+Na"	20.974666
"1621213"	656.116766	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Na-2H"	20.974666
"106491"	652.123163	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M-H+Cl"	33.962126
"541678"	969.694213	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M-H+Cl"	33.962126
"935197"	334.552113	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-H+Cl"	33.962126
"275940"	1305.253602	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+Cl"	34.969402
"672745"	1940.395702	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+Cl"	34.969402
"1285513"	670.111502	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Cl"	34.969402
"28429"	1307.232806	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M-2H+K"	36.948606
"470058"	1942.374906	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M-2H+K"	36.948606
"843969"	672.090706	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-2H+K"	36.948606
"1566364"	672.090706	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+K-2H"	36.948606
"954249"	680.140294	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-H+HCOOH"	44.998194
"376117"	1315.282401	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+HCOOH-H"	44.998201
"358912"	1329.298051	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+Hac-H"	59.013851
"1505191"	694.155951	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Hac-H"	59.013851
"970543"	702.122251	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-H+NaCOOH"	66.980151
"120907"	670.111502	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+2Cl"	69.938804
"561198"	987.682552	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+2Cl"	69.938804
"1029996"	352.540452	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2Cl"	69.938804
"1251762"	714.060985	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Br"	78.918885
"1316398"	716.116972	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Cl+HCOOH"	80.974872
"1329520"	738.098929	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Cl+NaCOOH"	102.956829
"920578"	748.127686	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M-H+CF3COOH"	112.985586
"1295108"	784.104364	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Cl+CF3COOH"	148.962264
"1371082"	600.129424	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H-2H2O"	-35.012676
"1396234"	618.1394	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H-H2O"	-17.0027
"289359"	1271.291476	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+H"	1.007276
"683967"	1906.433576	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+H"	1.007276
"1359224"	636.149376	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H"	1.007276
"139893"	636.149376	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+2H"	2.014552
"581322"	953.720426	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+2H"	2.014552
"1052665"	318.578326	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2H"	2.014552
"219981"	424.435342666667	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+3H"	3.021828
"659363"	636.149376	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+3H"	3.021828
"1178178"	212.721309333333	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+3H"	3.021828
"439179"	1288.318023	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+NH4"	18.033823
"798716"	1923.460123	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+NH4"	18.033823
"1695048"	653.175923	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+NH4"	18.033823
"345397"	644.6626495	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+H+NH4"	19.041099
"734654"	962.2336995	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+H+NH4"	19.041099
"1490296"	327.0915995	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H+NH4"	19.041099
"406424"	1293.273418	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+Na"	22.989218
"766325"	1928.415518	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+Na"	22.989218
"1614423"	658.131318	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Na"	22.989218
"328106"	647.140347	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+H+Na"	23.996494
"721018"	964.711397	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+H+Na"	23.996494
"1465607"	329.569297	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H+Na"	23.996494
"1058488"	220.048623333333	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2H+Na"	25.00377
"1268913"	668.175586	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+CH3OH+H"	33.033486
"383114"	1309.247358	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+K"	38.963158
"742284"	1944.389458	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+K"	38.963158
"1542512"	674.105258	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+K"	38.963158
"303337"	655.127317	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+H+K"	39.970434
"691874"	972.698367	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+H+K"	39.970434
"1449583"	337.556267	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H+K"	39.970434
"243655"	1312.318026	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+ACN+H"	42.033826
"1217455"	677.175926	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+ACN+H"	42.033826
"1202799"	339.091601	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+ACN+2H"	43.041102
"195670"	1315.25536	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+2Na-H"	44.97116
"640335"	1950.39746	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+2Na-H"	44.97116
"1137643"	680.11326	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2Na-H"	44.97116
"180205"	658.131318	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+2Na"	45.978436
"622680"	975.702368	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+2Na"	45.978436
"1122905"	340.560268	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2Na"	45.978436
"1406794"	227.375937333333	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H+2Na"	46.985712
"1440369"	682.154846	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H+HCOOH"	47.012746
"231160"	663.16434	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+3H2O+2H"	56.04448
"1513754"	696.20689	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+IsoProp+H"	61.06479
"420001"	666.118288	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+Na+K"	61.952376
"779907"	983.689338	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+Na+K"	61.952376
"1676237"	348.547238	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Na+K"	61.952376
"258383"	1334.299968	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+ACN+Na"	64.015768
"1234372"	699.157868	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+ACN+Na"	64.015768
"1723259"	699.181393	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+NH4+HCOOH"	64.039293
"1191900"	234.703251333333	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+3Na"	68.967654
"1657420"	704.136788	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Na+HCOOH"	68.994688
"164282"	1347.20324	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+2K-H"	76.91904
"604205"	1982.34534	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+2K-H"	76.91904
"1093820"	712.06114	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2K-H"	76.91904
"147355"	674.105258	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"2M+2K"	77.926316
"590195"	991.676308	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"3M+2K"	77.926316
"1079086"	356.534208	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2K"	77.926316
"1109013"	714.075692	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2K+H"	78.933592
"1344303"	714.163307	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+DMSO+H"	79.021207
"1011737"	718.202476	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2ACN+H"	83.060376
"1534237"	719.196108	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+IsoProp+Na+H"	84.054008
"998497"	359.604876	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+2ACN+2H"	84.067652
"1597375"	720.110728	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+K+HCOOH"	84.968628
"1420848"	750.142238	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+H+CF3COOH"	115.000138
"1157697"	380.118151	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+3ACN+2H"	125.094202
"1699596"	767.168785	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+NH4+CF3COOH"	132.026685
"1646184"	772.12418	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+Na+CF3COOH"	136.98208
"1585114"	788.09812	"C11278"	"Aflatoxin B1exo-89-epoxide-GSH;89-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1"	"C27H29N3O13S"	"635.1421"	"M+K+CF3COOH"	152.95602
"814386"	335.2188	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M"	0
"986463"	316.20041	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-H2O-H"	-19.01839
"73973"	222.471924	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M-3H"	-3.021828
"505879"	334.211524	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M-3H"	-3.021828
"880765"	110.732324	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-3H"	-3.021828
"13566"	334.211524	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M-2H"	-2.014552
"453855"	501.820924	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M-2H"	-2.014552
"831659"	166.602124	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-2H"	-2.014552
"91651"	669.430324	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M-H"	-1.007276
"531574"	1004.649124	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M-H"	-1.007276
"902444"	334.211524	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-H"	-1.007276
"50256"	686.456871	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M-2H+NH4"	16.019271
"489203"	1021.675671	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M-2H+NH4"	16.019271
"865059"	351.238071	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-2H+NH4"	16.019271
"33079"	691.412266	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M-2H+Na"	20.974666
"476175"	1026.631066	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M-2H+Na"	20.974666
"850697"	356.193466	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-2H+Na"	20.974666
"1621323"	356.193466	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Na-2H"	20.974666
"101133"	352.199863	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M-H+Cl"	33.962126
"541788"	519.809263	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M-H+Cl"	33.962126
"932026"	184.590463	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-H+Cl"	33.962126
"279330"	705.407002	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+Cl"	34.969402
"669938"	1040.625802	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+Cl"	34.969402
"1285984"	370.188202	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Cl"	34.969402
"28538"	707.386206	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M-2H+K"	36.948606
"468466"	1042.605006	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M-2H+K"	36.948606
"844080"	372.167406	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-2H+K"	36.948606
"1564287"	372.167406	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+K-2H"	36.948606
"956181"	380.216994	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-H+HCOOH"	44.998194
"375496"	715.435801	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+HCOOH-H"	44.998201
"358288"	729.451451	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+Hac-H"	59.013851
"1505662"	394.232651	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Hac-H"	59.013851
"970287"	402.198951	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-H+NaCOOH"	66.980151
"121743"	370.188202	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+2Cl"	69.938804
"559849"	537.797602	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+2Cl"	69.938804
"1033754"	202.578802	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2Cl"	69.938804
"1251508"	414.137685	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Br"	78.918885
"1316143"	416.193672	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Cl+HCOOH"	80.974872
"1332911"	438.175629	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Cl+NaCOOH"	102.956829
"921782"	448.204386	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M-H+CF3COOH"	112.985586
"1295217"	484.181064	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Cl+CF3COOH"	148.962264
"1379940"	300.206124	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H-2H2O"	-35.012676
"1391969"	318.2161	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H-H2O"	-17.0027
"292749"	671.444876	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+H"	1.007276
"682984"	1006.663676	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+H"	1.007276
"1364437"	336.226076	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H"	1.007276
"140488"	336.226076	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+2H"	2.014552
"580905"	503.835476	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+2H"	2.014552
"1052012"	168.616676	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2H"	2.014552
"219426"	224.486476	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+3H"	3.021828
"659723"	336.226076	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+3H"	3.021828
"1178253"	112.746876	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+3H"	3.021828
"439537"	688.471423	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+NH4"	18.033823
"798097"	1023.690223	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+NH4"	18.033823
"1692970"	353.252623	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+NH4"	18.033823
"345656"	344.7393495	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+H+NH4"	19.041099
"735128"	512.3487495	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+H+NH4"	19.041099
"1491746"	177.1299495	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H+NH4"	19.041099
"407387"	693.426818	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+Na"	22.989218
"768623"	1028.645618	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+Na"	22.989218
"1614899"	358.208018	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Na"	22.989218
"326759"	347.217047	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+H+Na"	23.996494
"722103"	514.826447	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+H+Na"	23.996494
"1474098"	179.607647	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H+Na"	23.996494
"1057505"	120.07419	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2H+Na"	25.00377
"1258207"	368.252286	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+CH3OH+H"	33.033486
"381036"	709.400758	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+K"	38.963158
"744216"	1044.619558	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+K"	38.963158
"1544081"	374.181958	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+K"	38.963158
"303450"	355.204017	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+H+K"	39.970434
"694779"	522.813417	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+H+K"	39.970434
"1447504"	187.594617	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H+K"	39.970434
"240483"	712.471426	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+ACN+H"	42.033826
"1217567"	377.252626	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+ACN+H"	42.033826
"1201816"	189.129951	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+ACN+2H"	43.041102
"196509"	715.40876	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+2Na-H"	44.97116
"640446"	1050.62756	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+2Na-H"	44.97116
"1141033"	380.18996	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2Na-H"	44.97116
"181774"	358.208018	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+2Na"	45.978436
"626438"	525.817418	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+2Na"	45.978436
"1127026"	190.598618	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2Na"	45.978436
"1408363"	127.401504	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H+2Na"	46.985712
"1440479"	382.231546	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H+HCOOH"	47.012746
"231270"	363.24104	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+3H2O+2H"	56.04448
"1513864"	396.28359	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+IsoProp+H"	61.06479
"421204"	366.194988	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+Na+K"	61.952376
"781110"	533.804388	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+Na+K"	61.952376
"1676347"	198.585588	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Na+K"	61.952376
"259586"	734.453368	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+ACN+Na"	64.015768
"1236669"	399.234568	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+ACN+Na"	64.015768
"1726649"	399.258093	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+NH4+HCOOH"	64.039293
"1185451"	134.728818	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+3Na"	68.967654
"1656072"	404.213488	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Na+HCOOH"	68.994688
"164392"	747.35664	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+2K-H"	76.91904
"610514"	1082.57544	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+2K-H"	76.91904
"1092108"	412.13784	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2K-H"	76.91904
"152933"	374.181958	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"2M+2K"	77.926316
"588118"	541.791358	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"3M+2K"	77.926316
"1074822"	206.572558	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2K"	77.926316
"1106936"	414.152392	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2K+H"	78.933592
"1340040"	414.240007	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+DMSO+H"	79.021207
"1009661"	418.279176	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2ACN+H"	83.060376
"1532160"	419.272808	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+IsoProp+Na+H"	84.054008
"1001889"	209.643226	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+2ACN+2H"	84.067652
"1596391"	420.187428	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+K+HCOOH"	84.968628
"1424238"	450.218938	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+H+CF3COOH"	115.000138
"1158900"	230.156501	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+3ACN+2H"	125.094202
"1704081"	467.245485	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+NH4+CF3COOH"	132.026685
"1647387"	472.20088	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+Na+CF3COOH"	136.98208
"1585224"	488.17482	"C11279"	"Myristyltrimethylaminium bromide;Tetradecyltrimethylammonium bromide;MTAB"	"C17H38NBr"	"335.2188"	"M+K+CF3COOH"	152.95602
"805748"	784.4921	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M"	0
"985841"	765.47371	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-H2O-H"	-19.01839
"71896"	521.987457333333	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M-3H"	-3.021828
"507082"	783.484824	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M-3H"	-3.021828
"883790"	260.490090666667	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-3H"	-3.021828
"15014"	783.484824	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M-2H"	-2.014552
"454330"	1175.730874	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M-2H"	-2.014552
"830678"	391.238774	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-2H"	-2.014552
"91397"	1567.976924	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M-H"	-1.007276
"532412"	2352.469024	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M-H"	-1.007276
"903647"	783.484824	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-H"	-1.007276
"52553"	1585.003471	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M-2H+NH4"	16.019271
"489921"	2369.495571	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M-2H+NH4"	16.019271
"866264"	800.511371	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-2H+NH4"	16.019271
"33310"	1589.958866	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M-2H+Na"	20.974666
"476285"	2374.450966	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M-2H+Na"	20.974666
"851900"	805.466766	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-2H+Na"	20.974666
"1621433"	805.466766	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Na-2H"	20.974666
"101243"	801.473163	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M-H+Cl"	33.962126
"541898"	1193.719213	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M-H+Cl"	33.962126
"931042"	409.227113	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-H+Cl"	33.962126
"272880"	1603.953602	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+Cl"	34.969402
"671143"	2388.445702	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+Cl"	34.969402
"1284999"	819.461502	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Cl"	34.969402
"26824"	1605.932806	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M-2H+K"	36.948606
"466387"	2390.424906	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M-2H+K"	36.948606
"842000"	821.440706	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-2H+K"	36.948606
"1561113"	821.440706	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+K-2H"	36.948606
"946809"	829.490294	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-H+HCOOH"	44.998194
"374873"	1613.982401	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+HCOOH-H"	44.998201
"357667"	1627.998051	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+Hac-H"	59.013851
"1504677"	843.505951	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Hac-H"	59.013851
"971853"	851.472251	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-H+NaCOOH"	66.980151
"124036"	819.461502	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+2Cl"	69.938804
"561051"	1211.707552	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+2Cl"	69.938804
"1032041"	427.215452	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2Cl"	69.938804
"1253440"	863.410985	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Br"	78.918885
"1314428"	865.466972	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Cl+HCOOH"	80.974872
"1329740"	887.448929	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Cl+NaCOOH"	102.956829
"919701"	897.477686	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M-H+CF3COOH"	112.985586
"1290954"	933.454364	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Cl+CF3COOH"	148.962264
"1373488"	749.479424	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H-2H2O"	-35.012676
"1395356"	767.4894	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H-H2O"	-17.0027
"292859"	1569.991476	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+H"	1.007276
"687471"	2354.483576	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+H"	1.007276
"1362725"	785.499376	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H"	1.007276
"137803"	785.499376	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+2H"	2.014552
"580895"	1177.745426	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+2H"	2.014552
"1052609"	393.253326	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2H"	2.014552
"219059"	524.002009333333	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+3H"	3.021828
"659465"	785.499376	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+3H"	3.021828
"1177796"	262.504642666667	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+3H"	3.021828
"439037"	1587.018023	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+NH4"	18.033823
"800396"	2371.510123	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+NH4"	18.033823
"1695999"	802.525923	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+NH4"	18.033823
"344770"	794.0126495	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+H+NH4"	19.041099
"737431"	1186.2586995	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+H+NH4"	19.041099
"1491250"	401.7665995	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H+NH4"	19.041099
"407619"	1591.973418	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+Na"	22.989218
"768859"	2376.465518	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+Na"	22.989218
"1617441"	807.481318	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Na"	22.989218
"328327"	796.490347	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+H+Na"	23.996494
"721359"	1188.736397	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+H+Na"	23.996494
"1474206"	404.244297	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H+Na"	23.996494
"1057615"	269.831956666667	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2H+Na"	25.00377
"1258562"	817.525586	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+CH3OH+H"	33.033486
"381144"	1607.947358	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+K"	38.963158
"742504"	2392.439458	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+K"	38.963158
"1544190"	823.455258	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+K"	38.963158
"303560"	804.477317	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+H+K"	39.970434
"695981"	1196.723367	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+H+K"	39.970434
"1449799"	412.231267	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H+K"	39.970434
"240593"	1611.018026	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+ACN+H"	42.033826
"1216584"	826.525926	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+ACN+H"	42.033826
"1203748"	413.766601	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+ACN+2H"	43.041102
"195890"	1613.95536	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+2Na-H"	44.97116
"642139"	2398.44746	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+2Na-H"	44.97116
"1144788"	829.46326	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2Na-H"	44.97116
"185164"	807.481318	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+2Na"	45.978436
"626308"	1199.727368	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+2Na"	45.978436
"1128229"	415.235268	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2Na"	45.978436
"1409566"	277.159270666667	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H+2Na"	46.985712
"1441682"	831.504846	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H+HCOOH"	47.012746
"230287"	812.51434	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+3H2O+2H"	56.04448
"1514338"	845.55689	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+IsoProp+H"	61.06479
"420221"	815.468288	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+Na+K"	61.952376
"780125"	1207.714338	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+Na+K"	61.952376
"1677550"	423.222238	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Na+K"	61.952376
"259696"	1632.999968	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+ACN+Na"	64.015768
"1234593"	848.507868	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+ACN+Na"	64.015768
"1725666"	848.531393	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+NH4+HCOOH"	64.039293
"1187748"	284.486584666667	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+3Na"	68.967654
"1656182"	853.486788	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Na+HCOOH"	68.994688
"164137"	1645.90324	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+2K-H"	76.91904
"604794"	2430.39534	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+2K-H"	76.91904
"1092218"	861.41114	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2K-H"	76.91904
"149763"	823.455258	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"2M+2K"	77.926316
"586042"	1215.701308	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"3M+2K"	77.926316
"1073839"	431.209208	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2K"	77.926316
"1104859"	863.425692	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2K+H"	78.933592
"1340149"	863.513307	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+DMSO+H"	79.021207
"1009771"	867.552476	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2ACN+H"	83.060376
"1532270"	868.546108	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+IsoProp+Na+H"	84.054008
"998719"	434.279876	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+2ACN+2H"	84.067652
"1595408"	869.460728	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+K+HCOOH"	84.968628
"1421068"	899.492238	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+H+CF3COOH"	115.000138
"1157916"	454.793151	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+3ACN+2H"	125.094202
"1704191"	916.518785	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+NH4+CF3COOH"	132.026685
"1644217"	921.47418	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+Na+CF3COOH"	136.98208
"1585334"	937.44812	"C11280"	"Dolastatin 10"	"C42H68N6O6S"	"784.4921"	"M+K+CF3COOH"	152.95602
"815699"	265.1314	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M"	0
"988139"	246.11301	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-H2O-H"	-19.01839
"74193"	175.746990666667	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M-3H"	-3.021828
"506099"	264.124124	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M-3H"	-3.021828
"882805"	87.3698573333333	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-3H"	-3.021828
"11231"	264.124124	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M-2H"	-2.014552
"452979"	396.689824	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M-2H"	-2.014552
"830055"	131.558424	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-2H"	-2.014552
"90779"	529.255524	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M-H"	-1.007276
"531915"	794.386924	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M-H"	-1.007276
"905944"	264.124124	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-H"	-1.007276
"51570"	546.282071	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M-2H+NH4"	16.019271
"489182"	811.413471	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M-2H+NH4"	16.019271
"866373"	281.150671	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-2H+NH4"	16.019271
"32815"	551.237466	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M-2H+Na"	20.974666
"476395"	816.368866	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M-2H+Na"	20.974666
"850917"	286.106066	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-2H+Na"	20.974666
"1621543"	286.106066	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Na-2H"	20.974666
"101353"	282.112463	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M-H+Cl"	33.962126
"542008"	414.678163	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M-H+Cl"	33.962126
"933339"	149.546763	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-H+Cl"	33.962126
"276270"	565.232202	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+Cl"	34.969402
"663595"	830.363602	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+Cl"	34.969402
"1276725"	300.100802	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Cl"	34.969402
"25840"	567.211406	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M-2H+K"	36.948606
"464309"	832.342806	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M-2H+K"	36.948606
"839923"	302.080006	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-2H+K"	36.948606
"1563409"	302.080006	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+K-2H"	36.948606
"948012"	310.129594	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-H+HCOOH"	44.998194
"369512"	575.261001	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+HCOOH-H"	44.998201
"354489"	589.276651	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+Hac-H"	59.013851
"1506245"	324.145251	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Hac-H"	59.013851
"964670"	332.111551	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-H+NaCOOH"	66.980151
"116492"	300.100802	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+2Cl"	69.938804
"560433"	432.666502	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+2Cl"	69.938804
"1035067"	167.535102	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2Cl"	69.938804
"1250997"	344.050285	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Br"	78.918885
"1310164"	346.106272	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Cl+HCOOH"	80.974872
"1329848"	368.088229	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Cl+NaCOOH"	102.956829
"920905"	378.116986	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M-H+CF3COOH"	112.985586
"1295437"	414.093664	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Cl+CF3COOH"	148.962264
"1381252"	230.118724	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H-2H2O"	-35.012676
"1398101"	248.1287	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H-H2O"	-17.0027
"295156"	531.270076	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+H"	1.007276
"688675"	796.401476	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+H"	1.007276
"1359555"	266.138676	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H"	1.007276
"140707"	266.138676	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+2H"	2.014552
"581121"	398.704376	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+2H"	2.014552
"1052105"	133.572976	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2H"	2.014552
"219939"	177.761542666667	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+3H"	3.021828
"659860"	266.138676	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+3H"	3.021828
"1178062"	89.3844093333333	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+3H"	3.021828
"439753"	548.296623	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+NH4"	18.033823
"800748"	813.428023	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+NH4"	18.033823
"1696951"	283.165223	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+NH4"	18.033823
"345123"	274.6519495	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+H+NH4"	19.041099
"738108"	407.2176495	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+H+NH4"	19.041099
"1492672"	142.0862495	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H+NH4"	19.041099
"408258"	553.252018	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+Na"	22.989218
"769840"	818.383418	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+Na"	22.989218
"1615844"	288.120618	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Na"	22.989218
"329413"	277.129647	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+H+Na"	23.996494
"717216"	409.695347	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+H+Na"	23.996494
"1467758"	144.563947	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H+Na"	23.996494
"1064285"	96.7117233333333	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2H+Na"	25.00377
"1258669"	298.164886	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+CH3OH+H"	33.033486
"378459"	569.225958	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+K"	38.963158
"739091"	834.357358	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+K"	38.963158
"1542115"	304.094558	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+K"	38.963158
"305856"	285.116617	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+H+K"	39.970434
"698277"	417.682317	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+H+K"	39.970434
"1447722"	152.550917	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H+K"	39.970434
"240702"	572.296626	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+ACN+H"	42.033826
"1218880"	307.165226	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+ACN+H"	42.033826
"1200577"	154.086251	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+ACN+2H"	43.041102
"192720"	575.23396	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+2Na-H"	44.97116
"640301"	840.36536	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+2Na-H"	44.97116
"1139795"	310.10256	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2Na-H"	44.97116
"182358"	288.120618	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+2Na"	45.978436
"617907"	420.686318	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+2Na"	45.978436
"1126152"	155.554918	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2Na"	45.978436
"1406396"	104.039037333333	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H+2Na"	46.985712
"1441792"	312.144146	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H+HCOOH"	47.012746
"228210"	293.15364	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+3H2O+2H"	56.04448
"1511168"	326.19619	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+IsoProp+H"	61.06479
"418144"	296.107588	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+Na+K"	61.952376
"780236"	428.673288	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+Na+K"	61.952376
"1675474"	163.541888	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Na+K"	61.952376
"261994"	594.278568	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+ACN+Na"	64.015768
"1237983"	329.147168	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+ACN+Na"	64.015768
"1726870"	329.170693	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+NH4+HCOOH"	64.039293
"1187858"	111.366351333333	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+3Na"	68.967654
"1658115"	334.126088	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Na+HCOOH"	68.994688
"160967"	607.18184	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+2K-H"	76.91904
"605633"	872.31324	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+2K-H"	76.91904
"1091235"	342.05044	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2K-H"	76.91904
"146593"	304.094558	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"2M+2K"	77.926316
"585058"	436.660258	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"3M+2K"	77.926316
"1068595"	171.528858	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2K"	77.926316
"1101809"	344.064992	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2K+H"	78.933592
"1338072"	344.152607	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+DMSO+H"	79.021207
"1007936"	348.191776	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2ACN+H"	83.060376
"1530193"	349.185408	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+IsoProp+Na+H"	84.054008
"994454"	174.599526	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+2ACN+2H"	84.067652
"1588957"	350.100028	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+K+HCOOH"	84.968628
"1421178"	380.131538	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+H+CF3COOH"	115.000138
"1160580"	195.112801	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+3ACN+2H"	125.094202
"1706488"	397.158085	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+NH4+CF3COOH"	132.026685
"1641047"	402.11348	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+Na+CF3COOH"	136.98208
"1585444"	418.08742	"C11281"	"Anisomycin"	"C14H19NO4"	"265.1314"	"M+K+CF3COOH"	152.95602
"805968"	557.1886	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M"	0
"986061"	538.17021	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-H2O-H"	-19.01839
"75032"	370.451790666667	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M-3H"	-3.021828
"507302"	556.181324	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M-3H"	-3.021828
"881454"	184.722257333333	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-3H"	-3.021828
"13529"	556.181324	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M-2H"	-2.014552
"454428"	834.775624	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M-2H"	-2.014552
"831620"	277.587024	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-2H"	-2.014552
"91251"	1113.369924	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M-H"	-1.007276
"532876"	1670.558524	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M-H"	-1.007276
"904961"	556.181324	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-H"	-1.007276
"50221"	1130.396471	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M-2H+NH4"	16.019271
"488807"	1687.585071	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M-2H+NH4"	16.019271
"865878"	573.207871	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-2H+NH4"	16.019271
"31954"	1135.351866	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M-2H+Na"	20.974666
"474682"	1692.540466	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M-2H+Na"	20.974666
"851754"	578.163266	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-2H+Na"	20.974666
"1622017"	578.163266	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Na-2H"	20.974666
"101463"	574.169663	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M-H+Cl"	33.962126
"542118"	852.763963	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M-H+Cl"	33.962126
"933449"	295.575363	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-H+Cl"	33.962126
"275287"	1149.346602	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+Cl"	34.969402
"667715"	1706.535202	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+Cl"	34.969402
"1280116"	592.158002	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Cl"	34.969402
"25951"	1151.325806	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M-2H+K"	36.948606
"464419"	1708.514406	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M-2H+K"	36.948606
"840033"	594.137206	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-2H+K"	36.948606
"1560603"	594.137206	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+K-2H"	36.948606
"947393"	602.186794	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-H+HCOOH"	44.998194
"369622"	1159.375401	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+HCOOH-H"	44.998201
"352412"	1173.391051	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+Hac-H"	59.013851
"1504165"	616.202451	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Hac-H"	59.013851
"970976"	624.168751	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-H+NaCOOH"	66.980151
"116602"	592.158002	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+2Cl"	69.938804
"559448"	870.752302	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+2Cl"	69.938804
"1035905"	313.563702	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2Cl"	69.938804
"1253660"	636.107485	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Br"	78.918885
"1315741"	638.163472	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Cl+HCOOH"	80.974872
"1329960"	660.145429	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Cl+NaCOOH"	102.956829
"922108"	670.174186	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M-H+CF3COOH"	112.985586
"1297734"	706.150864	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Cl+CF3COOH"	148.962264
"1379905"	522.175924	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H-2H2O"	-35.012676
"1393390"	540.1859	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H-H2O"	-17.0027
"295272"	1115.384476	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+H"	1.007276
"688784"	1672.573076	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+H"	1.007276
"1366228"	558.195876	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H"	1.007276
"140212"	558.195876	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+2H"	2.014552
"581263"	836.790176	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+2H"	2.014552
"1052708"	279.601576	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2H"	2.014552
"219910"	372.466342666667	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+3H"	3.021828
"659852"	558.195876	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+3H"	3.021828
"1177567"	186.736809333333	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+3H"	3.021828
"439137"	1132.411023	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+NH4"	18.033823
"797698"	1689.599623	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+NH4"	18.033823
"1696930"	575.222423	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+NH4"	18.033823
"344132"	566.7091495	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+H+NH4"	19.041099
"737646"	845.3034495	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+H+NH4"	19.041099
"1490371"	288.1148495	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H+NH4"	19.041099
"407108"	1137.366418	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+Na"	22.989218
"769766"	1694.555018	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+Na"	22.989218
"1617778"	580.177818	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Na"	22.989218
"328183"	569.186847	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+H+Na"	23.996494
"716235"	847.781147	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+H+Na"	23.996494
"1470054"	290.592547	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H+Na"	23.996494
"1061114"	194.064123333333	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2H+Na"	25.00377
"1258172"	590.222086	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+CH3OH+H"	33.033486
"378327"	1153.340358	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+K"	38.963158
"738714"	1710.528958	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+K"	38.963158
"1541009"	596.151758	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+K"	38.963158
"305966"	577.173817	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+H+K"	39.970434
"695107"	855.768117	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+H+K"	39.970434
"1448927"	298.579517	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H+K"	39.970434
"241905"	1156.411026	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+ACN+H"	42.033826
"1212430"	599.222426	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+ACN+H"	42.033826
"1203967"	300.114851	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+ACN+2H"	43.041102
"193559"	1159.34836	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+2Na-H"	44.97116
"641141"	1716.53696	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+2Na-H"	44.97116
"1136624"	602.15976	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2Na-H"	44.97116
"183197"	580.177818	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+2Na"	45.978436
"616558"	858.772118	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+2Na"	45.978436
"1119701"	301.583518	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2Na"	45.978436
"1406506"	201.391437333333	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H+2Na"	46.985712
"1435341"	604.201346	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H+HCOOH"	47.012746
"228320"	585.21084	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+3H2O+2H"	56.04448
"1514195"	618.25339	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+IsoProp+H"	61.06479
"414974"	588.164788	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+Na+K"	61.952376
"779252"	866.759088	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+Na+K"	61.952376
"1676677"	309.570488	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Na+K"	61.952376
"262833"	1178.392968	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+ACN+Na"	64.015768
"1234812"	621.204368	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+ACN+Na"	64.015768
"1726980"	621.227893	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+NH4+HCOOH"	64.039293
"1189061"	208.718751333333	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+3Na"	68.967654
"1656768"	626.183288	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Na+HCOOH"	68.994688
"160713"	1191.29624	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+2K-H"	76.91904
"606108"	1748.48484	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+2K-H"	76.91904
"1093169"	634.10764	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2K-H"	76.91904
"149983"	596.151758	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"2M+2K"	77.926316
"589542"	874.746058	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"3M+2K"	77.926316
"1069077"	317.557458	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2K"	77.926316
"1103984"	636.122192	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2K+H"	78.933592
"1342557"	636.209807	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+DMSO+H"	79.021207
"1007804"	640.248976	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2ACN+H"	83.060376
"1529209"	641.242608	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+IsoProp+Na+H"	84.054008
"994564"	320.628126	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+2ACN+2H"	84.067652
"1588456"	642.157228	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+K+HCOOH"	84.968628
"1422382"	672.188738	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+H+CF3COOH"	115.000138
"1160325"	341.141401	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+3ACN+2H"	125.094202
"1710973"	689.215285	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+NH4+CF3COOH"	132.026685
"1649299"	694.17068	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+Na+CF3COOH"	136.98208
"1585554"	710.14462	"C11282"	"Azidopine"	"C27H26F3N5O5"	"557.1886"	"M+K+CF3COOH"	152.95602
"806078"	198.0389	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M"	0
"976330"	179.02051	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-H2O-H"	-19.01839
"72226"	131.018657333333	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M-3H"	-3.021828
"503440"	197.031624	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M-3H"	-3.021828
"879980"	65.0056906666667	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-3H"	-3.021828
"10356"	197.031624	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M-2H"	-2.014552
"455512"	296.051074	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M-2H"	-2.014552
"829548"	98.012174	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-2H"	-2.014552
"93870"	395.070524	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M-H"	-1.007276
"533832"	593.109424	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M-H"	-1.007276
"905071"	197.031624	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-H"	-1.007276
"49603"	412.097071	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M-2H+NH4"	16.019271
"487459"	610.135971	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M-2H+NH4"	16.019271
"865501"	214.058171	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-2H+NH4"	16.019271
"33767"	417.052466	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M-2H+Na"	20.974666
"474063"	615.091366	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M-2H+Na"	20.974666
"849677"	219.013566	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-2H+Na"	20.974666
"1621763"	219.013566	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Na-2H"	20.974666
"101573"	215.019963	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M-H+Cl"	33.962126
"542228"	314.039413	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M-H+Cl"	33.962126
"933559"	116.000513	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-H+Cl"	33.962126
"276490"	431.047202	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+Cl"	34.969402
"667825"	629.086102	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+Cl"	34.969402
"1281320"	233.008302	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Cl"	34.969402
"23873"	433.026406	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M-2H+K"	36.948606
"465622"	631.065306	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M-2H+K"	36.948606
"841236"	234.987506	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-2H+K"	36.948606
"1559256"	234.987506	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+K-2H"	36.948606
"948232"	243.037094	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-H+HCOOH"	44.998194
"368637"	441.076001	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+HCOOH-H"	44.998201
"354709"	455.091651	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+Hac-H"	59.013851
"1503546"	257.052751	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Hac-H"	59.013851
"971086"	265.019051	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-H+NaCOOH"	66.980151
"117076"	233.008302	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+2Cl"	69.938804
"557372"	332.027752	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+2Cl"	69.938804
"1033463"	133.988852	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2Cl"	69.938804
"1253770"	276.957785	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Br"	78.918885
"1316944"	279.013772	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Cl+HCOOH"	80.974872
"1328976"	300.995729	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Cl+NaCOOH"	102.956829
"916751"	311.024486	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M-H+CF3COOH"	112.985586
"1300760"	347.001164	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Cl+CF3COOH"	148.962264
"1380379"	163.026224	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H-2H2O"	-35.012676
"1397510"	181.0362	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H-H2O"	-17.0027
"297813"	397.085076	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+H"	1.007276
"691083"	595.123976	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+H"	1.007276
"1366341"	199.046176	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H"	1.007276
"137040"	199.046176	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+2H"	2.014552
"581107"	298.065626	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+2H"	2.014552
"1052252"	100.026726	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2H"	2.014552
"219833"	133.033209333333	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+3H"	3.021828
"658336"	199.046176	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+3H"	3.021828
"1176828"	67.0202426666667	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+3H"	3.021828
"439452"	414.111623	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+NH4"	18.033823
"799633"	612.150523	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+NH4"	18.033823
"1696618"	216.072723	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+NH4"	18.033823
"345383"	207.5594495	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+H+NH4"	19.041099
"738007"	306.5788995	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+H+NH4"	19.041099
"1492539"	108.5399995	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H+NH4"	19.041099
"408278"	419.067018	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+Na"	22.989218
"769679"	617.105918	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+Na"	22.989218
"1618130"	221.028118	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Na"	22.989218
"329551"	210.037147	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+H+Na"	23.996494
"721086"	309.056597	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+H+Na"	23.996494
"1475271"	111.017697	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H+Na"	23.996494
"1065598"	74.3475566666667	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2H+Na"	25.00377
"1266184"	231.072386	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+CH3OH+H"	33.033486
"379411"	435.040958	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+K"	38.963158
"740285"	633.079858	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+K"	38.963158
"1540513"	237.002058	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+K"	38.963158
"300607"	218.024117	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+H+K"	39.970434
"696310"	317.043567	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+H+K"	39.970434
"1447944"	119.004667	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H+K"	39.970434
"244202"	438.111626	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+ACN+H"	42.033826
"1215820"	240.072726	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+ACN+H"	42.033826
"1198609"	120.540001	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+ACN+2H"	43.041102
"193669"	441.04896	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+2Na-H"	44.97116
"641250"	639.08786	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+2Na-H"	44.97116
"1141108"	243.01006	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2Na-H"	44.97116
"183307"	221.028118	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+2Na"	45.978436
"619586"	320.047568	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+2Na"	45.978436
"1124186"	122.008668	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2Na"	45.978436
"1408803"	81.6748706666667	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H+2Na"	46.985712
"1436544"	245.051646	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H+HCOOH"	47.012746
"230983"	226.06114	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+3H2O+2H"	56.04448
"1516490"	259.10369	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+IsoProp+H"	61.06479
"421644"	229.015088	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+Na+K"	61.952376
"779362"	328.034538	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+Na+K"	61.952376
"1676787"	129.995638	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Na+K"	61.952376
"263307"	460.093568	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+ACN+Na"	64.015768
"1237108"	262.054668	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+ACN+Na"	64.015768
"1722715"	262.078193	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+NH4+HCOOH"	64.039293
"1182245"	89.0021846666667	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+3Na"	68.967654
"1656148"	267.033588	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Na+HCOOH"	68.994688
"165926"	472.99684	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+2K-H"	76.91904
"605487"	671.03574	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+2K-H"	76.91904
"1095102"	274.95794	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2K-H"	76.91904
"154465"	237.002058	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"2M+2K"	77.926316
"585276"	336.021508	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"3M+2K"	77.926316
"1074168"	137.982608	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2K"	77.926316
"1102150"	276.972492	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2K+H"	78.933592
"1342667"	277.060107	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+DMSO+H"	79.021207
"1010101"	281.099276	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2ACN+H"	83.060376
"1529319"	282.092908	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+IsoProp+Na+H"	84.054008
"994674"	141.053276	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+2ACN+2H"	84.067652
"1589541"	283.007528	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+K+HCOOH"	84.968628
"1424679"	313.039038	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+H+CF3COOH"	115.000138
"1160435"	161.566551	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+3ACN+2H"	125.094202
"1712177"	330.065585	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+NH4+CF3COOH"	132.026685
"1649837"	335.02098	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+Na+CF3COOH"	136.98208
"1585664"	350.99492	"C11283"	"24-Dinitrophenylhydrazine"	"C6H6N4O4"	"198.0389"	"M+K+CF3COOH"	152.95602
"806188"	203.0946	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M"	0
"976440"	184.07621	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-H2O-H"	-19.01839
"69056"	134.389124	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M-3H"	-3.021828
"504240"	202.087324	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M-3H"	-3.021828
"880445"	66.690924	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-3H"	-3.021828
"9372"	202.087324	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M-2H"	-2.014552
"455132"	303.634624	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M-2H"	-2.014552
"831112"	100.540024	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-2H"	-2.014552
"92199"	405.181924	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M-H"	-1.007276
"532850"	608.276524	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M-H"	-1.007276
"904087"	202.087324	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-H"	-1.007276
"48007"	422.208471	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M-2H+NH4"	16.019271
"487933"	625.303071	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M-2H+NH4"	16.019271
"864760"	219.113871	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-2H+NH4"	16.019271
"32052"	427.163866	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M-2H+Na"	20.974666
"473809"	630.258466	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M-2H+Na"	20.974666
"851247"	224.069266	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-2H+Na"	20.974666
"1621873"	224.069266	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Na-2H"	20.974666
"98403"	220.075663	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M-H+Cl"	33.962126
"544525"	321.622963	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M-H+Cl"	33.962126
"931482"	118.528363	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-H+Cl"	33.962126
"269310"	441.158602	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+Cl"	34.969402
"665019"	644.253202	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+Cl"	34.969402
"1276327"	238.064002	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Cl"	34.969402
"20704"	443.137806	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M-2H+K"	36.948606
"463546"	646.232406	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M-2H+K"	36.948606
"838067"	240.043206	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-2H+K"	36.948606
"1560459"	240.043206	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+K-2H"	36.948606
"948342"	248.092794	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-H+HCOOH"	44.998194
"365831"	451.187401	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+HCOOH-H"	44.998201
"350080"	465.203051	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+Hac-H"	59.013851
"1501467"	262.108451	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Hac-H"	59.013851
"967914"	270.074751	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-H+NaCOOH"	66.980151
"113540"	238.064002	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+2Cl"	69.938804
"558575"	339.611302	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+2Cl"	69.938804
"1033573"	136.516702	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2Cl"	69.938804
"1251328"	282.013485	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Br"	78.918885
"1314867"	284.069472	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Cl+HCOOH"	80.974872
"1329086"	306.051429	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Cl+NaCOOH"	102.956829
"915038"	316.080186	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M-H+CF3COOH"	112.985586
"1301234"	352.056864	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Cl+CF3COOH"	148.962264
"1380125"	168.081924	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H-2H2O"	-35.012676
"1397986"	186.0919	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H-H2O"	-17.0027
"296585"	407.196476	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+H"	1.007276
"689733"	610.291076	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+H"	1.007276
"1367017"	204.101876	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H"	1.007276
"139337"	204.101876	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+2H"	2.014552
"581380"	305.649176	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+2H"	2.014552
"1052679"	102.554576	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2H"	2.014552
"219949"	136.403676	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+3H"	3.021828
"659853"	204.101876	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+3H"	3.021828
"1178411"	68.705476	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+3H"	3.021828
"439482"	424.223023	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+NH4"	18.033823
"801044"	627.317623	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+NH4"	18.033823
"1696767"	221.128423	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+NH4"	18.033823
"345292"	212.6151495	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+H+NH4"	19.041099
"738434"	314.1624495	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+H+NH4"	19.041099
"1492296"	111.0678495	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H+NH4"	19.041099
"408479"	429.178418	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+Na"	22.989218
"769296"	632.273018	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+Na"	22.989218
"1617758"	226.083818	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Na"	22.989218
"328768"	215.092847	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+H+Na"	23.996494
"721681"	316.640147	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+H+Na"	23.996494
"1476230"	113.545547	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H+Na"	23.996494
"1064614"	76.03279	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2H+Na"	25.00377
"1268480"	236.128086	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+CH3OH+H"	33.033486
"378672"	445.152358	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+K"	38.963158
"743676"	648.246958	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+K"	38.963158
"1544635"	242.057758	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+K"	38.963158
"301812"	223.079817	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+H+K"	39.970434
"692043"	324.627117	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+H+K"	39.970434
"1446591"	121.532517	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H+K"	39.970434
"247594"	448.223026	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+ACN+H"	42.033826
"1220305"	245.128426	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+ACN+H"	42.033826
"1198719"	123.067851	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+ACN+2H"	43.041102
"193779"	451.16036	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+2Na-H"	44.97116
"638807"	654.25496	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+2Na-H"	44.97116
"1144500"	248.06576	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2Na-H"	44.97116
"183417"	226.083818	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+2Na"	45.978436
"617872"	327.631118	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+2Na"	45.978436
"1124296"	124.536518	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2Na"	45.978436
"1405995"	83.360104	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H+2Na"	46.985712
"1433374"	250.107346	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H+HCOOH"	47.012746
"230365"	231.11684	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+3H2O+2H"	56.04448
"1516601"	264.15939	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+IsoProp+H"	61.06479
"420660"	234.070788	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+Na+K"	61.952376
"779471"	335.618088	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+Na+K"	61.952376
"1674710"	132.523488	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Na+K"	61.952376
"263781"	470.204968	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+ACN+Na"	64.015768
"1238310"	267.110368	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+ACN+Na"	64.015768
"1721731"	267.133893	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+NH4+HCOOH"	64.039293
"1190375"	90.687418	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+3Na"	68.967654
"1659174"	272.089288	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Na+HCOOH"	68.994688
"168222"	483.10824	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+2K-H"	76.91904
"610699"	686.20284	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+2K-H"	76.91904
"1097033"	280.01364	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2K-H"	76.91904
"152388"	242.057758	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"2M+2K"	77.926316
"584290"	343.605058	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"3M+2K"	77.926316
"1077558"	140.510458	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2K"	77.926316
"1105299"	282.028192	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2K+H"	78.933592
"1342777"	282.115807	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+DMSO+H"	79.021207
"1011305"	286.154976	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2ACN+H"	83.060376
"1528336"	287.148608	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+IsoProp+Na+H"	84.054008
"995877"	143.581126	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+2ACN+2H"	84.067652
"1589651"	288.063228	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+K+HCOOH"	84.968628
"1424787"	318.094738	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+H+CF3COOH"	115.000138
"1160542"	164.094401	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+3ACN+2H"	125.094202
"1712409"	335.121285	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+NH4+CF3COOH"	132.026685
"1649803"	340.07668	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+Na+CF3COOH"	136.98208
"1585774"	356.05062	"C11284"	"Indolebutyric acid;Indole-3-butyric acid;IBA"	"C12H13NO2"	"203.0946"	"M+K+CF3COOH"	152.95602
"806298"	297.3032	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M"	0
"976550"	278.28481	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-H2O-H"	-19.01839
"65885"	197.194857333333	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M-3H"	-3.021828
"503615"	296.295924	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M-3H"	-3.021828
"881052"	98.0937906666667	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-3H"	-3.021828
"8389"	296.295924	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M-2H"	-2.014552
"452326"	444.947524	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M-2H"	-2.014552
"829036"	147.644324	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-2H"	-2.014552
"91576"	593.599124	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M-H"	-1.007276
"530770"	890.902324	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M-H"	-1.007276
"897636"	296.295924	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-H"	-1.007276
"50545"	610.625671	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M-2H+NH4"	16.019271
"488529"	907.928871	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M-2H+NH4"	16.019271
"865719"	313.322471	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-2H+NH4"	16.019271
"33256"	615.581066	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M-2H+Na"	20.974666
"473555"	912.884266	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M-2H+Na"	20.974666
"851357"	318.277866	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-2H+Na"	20.974666
"1621983"	318.277866	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Na-2H"	20.974666
"98513"	314.284263	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M-H+Cl"	33.962126
"544635"	462.935863	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M-H+Cl"	33.962126
"928312"	165.632663	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-H+Cl"	33.962126
"267197"	629.575802	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+Cl"	34.969402
"664400"	926.879002	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+Cl"	34.969402
"1276437"	332.272602	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Cl"	34.969402
"19721"	631.555006	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M-2H+K"	36.948606
"461468"	928.858206	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M-2H+K"	36.948606
"839270"	334.251806	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-2H+K"	36.948606
"1559476"	334.251806	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+K-2H"	36.948606
"947359"	342.301394	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-H+HCOOH"	44.998194
"363023"	639.604601	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+HCOOH-H"	44.998201
"350554"	653.620251	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+Hac-H"	59.013851
"1499753"	356.317051	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Hac-H"	59.013851
"965106"	364.283351	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-H+NaCOOH"	66.980151
"115108"	332.272602	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+2Cl"	69.938804
"559414"	480.924202	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+2Cl"	69.938804
"1031861"	183.621002	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2Cl"	69.938804
"1251438"	376.222085	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Br"	78.918885
"1312791"	378.278072	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Cl+HCOOH"	80.974872
"1331382"	400.260029	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Cl+NaCOOH"	102.956829
"916971"	410.288786	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M-H+CF3COOH"	112.985586
"1301344"	446.265464	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Cl+CF3COOH"	148.962264
"1377319"	262.290524	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H-2H2O"	-35.012676
"1397731"	280.3005	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H-H2O"	-17.0027
"295602"	595.613676	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+H"	1.007276
"688750"	892.916876	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+H"	1.007276
"1366560"	298.310476	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H"	1.007276
"140421"	298.310476	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+2H"	2.014552
"581079"	446.962076	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+2H"	2.014552
"1052512"	149.658876	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2H"	2.014552
"219847"	199.209409333333	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+3H"	3.021828
"658918"	298.310476	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+3H"	3.021828
"1177041"	100.108342666667	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+3H"	3.021828
"439713"	612.640223	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+NH4"	18.033823
"801072"	909.943423	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+NH4"	18.033823
"1696795"	315.337023	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+NH4"	18.033823
"345519"	306.8237495	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+H+NH4"	19.041099
"738306"	455.4753495	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+H+NH4"	19.041099
"1492044"	158.1721495	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H+NH4"	19.041099
"407803"	617.595618	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+Na"	22.989218
"769287"	914.898818	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+Na"	22.989218
"1618113"	320.292418	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Na"	22.989218
"323044"	309.301447	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+H+Na"	23.996494
"719483"	457.953047	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+H+Na"	23.996494
"1472573"	160.649847	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H+Na"	23.996494
"1062539"	107.435656666667	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2H+Na"	25.00377
"1265310"	330.336686	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+CH3OH+H"	33.033486
"378783"	633.569558	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+K"	38.963158
"741964"	930.872758	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+K"	38.963158
"1540373"	336.266358	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+K"	38.963158
"299736"	317.288417	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+H+K"	39.970434
"691663"	465.940017	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+H+K"	39.970434
"1446049"	168.636817	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H+K"	39.970434
"244424"	636.640226	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+ACN+H"	42.033826
"1213851"	339.337026	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+ACN+H"	42.033826
"1198829"	170.172151	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+ACN+2H"	43.041102
"192796"	639.57756	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+2Na-H"	44.97116
"635637"	936.88076	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+2Na-H"	44.97116
"1143517"	342.27436	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2Na-H"	44.97116
"182434"	320.292418	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+2Na"	45.978436
"617618"	468.944018	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+2Na"	45.978436
"1124406"	171.640818	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2Na"	45.978436
"1403555"	114.762970666667	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H+2Na"	46.985712
"1433484"	344.315946	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H+HCOOH"	47.012746
"225368"	325.32544	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+3H2O+2H"	56.04448
"1516710"	358.36799	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+IsoProp+H"	61.06479
"420770"	328.279388	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+Na+K"	61.952376
"777393"	476.930988	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+Na+K"	61.952376
"1672630"	179.627788	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Na+K"	61.952376
"263524"	658.622168	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+ACN+Na"	64.015768
"1238420"	361.318968	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+ACN+Na"	64.015768
"1721841"	361.342493	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+NH4+HCOOH"	64.039293
"1183194"	122.090284666667	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+3Na"	68.967654
"1656004"	366.297888	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Na+HCOOH"	68.994688
"162865"	671.52544	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+2K-H"	76.91904
"606798"	968.82864	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+2K-H"	76.91904
"1093497"	374.22224	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2K-H"	76.91904
"150311"	336.266358	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"2M+2K"	77.926316
"583429"	484.917958	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"3M+2K"	77.926316
"1075478"	187.614758	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2K"	77.926316
"1107592"	376.236792	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2K+H"	78.933592
"1339605"	376.324407	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+DMSO+H"	79.021207
"1009226"	380.363576	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2ACN+H"	83.060376
"1530630"	381.357208	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+IsoProp+Na+H"	84.054008
"992703"	190.685426	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+2ACN+2H"	84.067652
"1594860"	382.271828	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+K+HCOOH"	84.968628
"1421615"	412.303338	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+H+CF3COOH"	115.000138
"1155182"	211.198701	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+3ACN+2H"	125.094202
"1710209"	429.329885	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+NH4+CF3COOH"	132.026685
"1649794"	434.28528	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+Na+CF3COOH"	136.98208
"1585884"	450.25922	"C11285"	"Tridemorph;26-Dimethyl-4-tridecylmorpholine"	"C19H39NO"	"297.3032"	"M+K+CF3COOH"	152.95602
"806408"	464.2046	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M"	0
"977753"	445.18621	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H2O-H"	-19.01839
"68180"	308.462457333333	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-3H"	-3.021828
"505553"	463.197324	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-3H"	-3.021828
"881042"	153.727590666667	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-3H"	-3.021828
"12872"	463.197324	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H"	-2.014552
"453529"	695.299624	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H"	-2.014552
"830237"	231.095024	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H"	-2.014552
"92415"	927.401924	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-H"	-1.007276
"532702"	1391.606524	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-H"	-1.007276
"901026"	463.197324	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H"	-1.007276
"49932"	944.428471	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+NH4"	16.019271
"490587"	1408.633071	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+NH4"	16.019271
"867048"	480.223871	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+NH4"	16.019271
"34827"	949.383866	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+Na"	20.974666
"480226"	1413.588466	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+Na"	20.974666
"851466"	485.179266	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+Na"	20.974666
"1620999"	485.179266	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na-2H"	20.974666
"98623"	481.185663	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-H+Cl"	33.962126
"548270"	713.287963	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-H+Cl"	33.962126
"929515"	249.083363	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+Cl"	33.962126
"267703"	963.378602	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Cl"	34.969402
"664510"	1427.583202	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Cl"	34.969402
"1279463"	499.174002	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl"	34.969402
"22749"	965.357806	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+K"	36.948606
"462309"	1429.562406	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+K"	36.948606
"838651"	501.153206	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+K"	36.948606
"1562140"	501.153206	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K-2H"	36.948606
"951846"	509.202794	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+HCOOH"	44.998194
"366779"	973.407401	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+HCOOH-H"	44.998201
"347138"	987.423051	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Hac-H"	59.013851
"1499861"	523.218451	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Hac-H"	59.013851
"962297"	531.184751	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+NaCOOH"	66.980151
"116311"	499.174002	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Cl"	69.938804
"558795"	731.276302	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Cl"	69.938804
"1031976"	267.071702	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Cl"	69.938804
"1253375"	543.123485	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Br"	78.918885
"1318496"	545.179472	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+HCOOH"	80.974872
"1331493"	567.161429	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+NaCOOH"	102.956829
"922550"	577.190186	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+CF3COOH"	112.985586
"1301454"	613.166864	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+CF3COOH"	148.962264
"1380588"	429.191924	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H-2H2O"	-35.012676
"1396017"	447.2019	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H-H2O"	-17.0027
"297170"	929.416476	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H"	1.007276
"691009"	1393.621076	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H"	1.007276
"1364482"	465.211876	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H"	1.007276
"137371"	465.211876	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2H"	2.014552
"580581"	697.314176	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2H"	2.014552
"1052055"	233.109576	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2H"	2.014552
"218254"	310.477009333333	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+3H"	3.021828
"659152"	465.211876	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+3H"	3.021828
"1177641"	155.742142666667	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3H"	3.021828
"439213"	946.443023	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+NH4"	18.033823
"800825"	1410.647623	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+NH4"	18.033823
"1696172"	482.238423	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4"	18.033823
"345432"	473.7251495	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+NH4"	19.041099
"738096"	705.8274495	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+NH4"	19.041099
"1492278"	241.6228495	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+NH4"	19.041099
"407430"	951.398418	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Na"	22.989218
"769034"	1415.603018	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Na"	22.989218
"1618105"	487.193818	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na"	22.989218
"327528"	476.202847	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+Na"	23.996494
"718863"	708.305147	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+Na"	23.996494
"1472683"	244.100547	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+Na"	23.996494
"1064836"	163.069456666667	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2H+Na"	25.00377
"1265420"	497.238086	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+CH3OH+H"	33.033486
"380716"	967.372358	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+K"	38.963158
"742074"	1431.576958	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+K"	38.963158
"1540239"	503.167758	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K"	38.963158
"299238"	484.189817	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+K"	39.970434
"692140"	716.292117	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+K"	39.970434
"1446326"	252.087517	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+K"	39.970434
"242348"	970.443026	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+ACN+H"	42.033826
"1213961"	506.238426	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+H"	42.033826
"1197480"	253.622851	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+2H"	43.041102
"192906"	973.38036	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Na-H"	44.97116
"636841"	1437.58496	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Na-H"	44.97116
"1141440"	509.17576	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Na-H"	44.97116
"186556"	487.193818	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Na"	45.978436
"625385"	719.296118	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Na"	45.978436
"1128892"	255.091518	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Na"	45.978436
"1412294"	170.396770666667	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+2Na"	46.985712
"1435781"	511.217346	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+HCOOH"	47.012746
"226572"	492.22684	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+3H2O+2H"	56.04448
"1521194"	525.26939	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+IsoProp+H"	61.06479
"423067"	495.180788	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Na+K"	61.952376
"779690"	727.283088	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Na+K"	61.952376
"1677114"	263.078488	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+K"	61.952376
"265700"	992.424968	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+ACN+Na"	64.015768
"1240720"	528.220368	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+Na"	64.015768
"1726695"	528.243893	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4+HCOOH"	64.039293
"1178645"	177.724084666667	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3Na"	68.967654
"1653562"	533.199288	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+HCOOH"	68.994688
"160787"	1005.32824	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2K-H"	76.91904
"601441"	1469.53284	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2K-H"	76.91904
"1091421"	541.12364	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K-H"	76.91904
"147141"	503.167758	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2K"	77.926316
"587794"	735.270058	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2K"	77.926316
"1075588"	271.065458	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K"	77.926316
"1108797"	543.138192	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K+H"	78.933592
"1346273"	543.225807	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+DMSO+H"	79.021207
"1018083"	547.264976	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2ACN+H"	83.060376
"1537301"	548.258608	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+IsoProp+Na+H"	84.054008
"1002655"	274.136126	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2ACN+2H"	84.067652
"1598253"	549.173228	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K+HCOOH"	84.968628
"1426096"	579.204738	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+CF3COOH"	115.000138
"1155292"	294.649401	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3ACN+2H"	125.094202
"1711778"	596.231285	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4+CF3COOH"	132.026685
"1649782"	601.18668	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+CF3COOH"	136.98208
"1585994"	617.16062	"C11288"	"16alpha17beta-Estriol 3-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K+CF3COOH"	152.95602
"807611"	528.1665	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M"	0
"977863"	509.14811	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-H2O-H"	-19.01839
"66105"	351.103724	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M-3H"	-3.021828
"504933"	527.159224	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M-3H"	-3.021828
"880220"	175.048224	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-3H"	-3.021828
"14804"	527.159224	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H"	-2.014552
"454732"	791.242474	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H"	-2.014552
"831076"	263.075974	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-2H"	-2.014552
"92524"	1055.325724	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M-H"	-1.007276
"530990"	1583.492224	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M-H"	-1.007276
"897856"	527.159224	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-H"	-1.007276
"48948"	1072.352271	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H+NH4"	16.019271
"487903"	1600.518771	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H+NH4"	16.019271
"865945"	544.185771	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-2H+NH4"	16.019271
"33843"	1077.307666	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H+Na"	20.974666
"480336"	1605.474166	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H+Na"	20.974666
"851576"	549.141166	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-2H+Na"	20.974666
"1619649"	549.141166	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Na-2H"	20.974666
"98733"	545.147563	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M-H+Cl"	33.962126
"545949"	809.230813	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M-H+Cl"	33.962126
"927679"	281.064313	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-H+Cl"	33.962126
"267567"	1091.302402	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+Cl"	34.969402
"665348"	1619.468902	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+Cl"	34.969402
"1277386"	563.135902	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl"	34.969402
"22129"	1093.281606	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H+K"	36.948606
"463876"	1621.448106	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H+K"	36.948606
"837303"	565.115106	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-2H+K"	36.948606
"1563343"	565.115106	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+K-2H"	36.948606
"951227"	573.164694	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-H+HCOOH"	44.998194
"364336"	1101.331201	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+HCOOH-H"	44.998201
"349312"	1115.346851	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+Hac-H"	59.013851
"1498511"	587.180351	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Hac-H"	59.013851
"962407"	595.146651	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-H+NaCOOH"	66.980151
"113502"	563.135902	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+2Cl"	69.938804
"558905"	827.219152	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+2Cl"	69.938804
"1035000"	299.052652	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2Cl"	69.938804
"1251661"	607.085385	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Br"	78.918885
"1317754"	609.141372	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl+HCOOH"	80.974872
"1331603"	631.123329	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl+NaCOOH"	102.956829
"921567"	641.152086	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M-H+CF3COOH"	112.985586
"1303516"	677.128764	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl+CF3COOH"	148.962264
"1382604"	493.153824	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H-2H2O"	-35.012676
"1398387"	511.1638	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H-H2O"	-17.0027
"296552"	1057.340276	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+H"	1.007276
"690915"	1585.506776	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+H"	1.007276
"1365322"	529.173776	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H"	1.007276
"139671"	529.173776	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+2H"	2.014552
"579963"	793.257026	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+2H"	2.014552
"1050953"	265.090526	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2H"	2.014552
"218486"	353.118276	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+3H"	3.021828
"659140"	529.173776	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+3H"	3.021828
"1177956"	177.062776	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+3H"	3.021828
"439733"	1074.366823	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+NH4"	18.033823
"800804"	1602.533323	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+NH4"	18.033823
"1696570"	546.200323	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+NH4"	18.033823
"345538"	537.6870495	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+H+NH4"	19.041099
"738037"	801.7702995	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+H+NH4"	19.041099
"1492304"	273.6037995	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H+NH4"	19.041099
"407660"	1079.322218	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+Na"	22.989218
"769385"	1607.488718	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+Na"	22.989218
"1618171"	551.155718	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Na"	22.989218
"325450"	540.164747	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+H+Na"	23.996494
"721156"	804.247997	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+H+Na"	23.996494
"1476397"	276.081497	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H+Na"	23.996494
"1066039"	184.39009	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2H+Na"	25.00377
"1265530"	561.199986	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+CH3OH+H"	33.033486
"381918"	1095.296158	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+K"	38.963158
"742184"	1623.462658	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+K"	38.963158
"1542778"	567.129658	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+K"	38.963158
"298858"	548.151717	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+H+K"	39.970434
"697842"	812.234967	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+H+K"	39.970434
"1454942"	284.068467	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H+K"	39.970434
"238809"	1098.366826	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+ACN+H"	42.033826
"1214798"	570.200326	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+ACN+H"	42.033826
"1199776"	285.603801	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+ACN+2H"	43.041102
"193016"	1101.30416	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+2Na-H"	44.97116
"634033"	1629.47066	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+2Na-H"	44.97116
"1134620"	573.13766	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2Na-H"	44.97116
"181561"	551.155718	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+2Na"	45.978436
"621121"	815.238968	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+2Na"	45.978436
"1122439"	287.072468	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2Na"	45.978436
"1403775"	191.717404	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H+2Na"	46.985712
"1434066"	575.179246	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H+HCOOH"	47.012746
"233243"	556.18874	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+3H2O+2H"	56.04448
"1519118"	589.23129	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+IsoProp+H"	61.06479
"423177"	559.142688	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+Na+K"	61.952376
"779800"	823.225938	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+Na+K"	61.952376
"1673944"	295.059438	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Na+K"	61.952376
"265446"	1120.348768	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+ACN+Na"	64.015768
"1240102"	592.182268	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+ACN+Na"	64.015768
"1726074"	592.205793	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+NH4+HCOOH"	64.039293
"1182687"	199.044718	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+3Na"	68.967654
"1652947"	597.161188	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Na+HCOOH"	68.994688
"161992"	1133.25204	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+2K-H"	76.91904
"601552"	1661.41854	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+2K-H"	76.91904
"1092626"	605.08554	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2K-H"	76.91904
"153448"	567.129658	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"2M+2K"	77.926316
"591184"	831.212908	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"3M+2K"	77.926316
"1078978"	303.046408	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2K"	77.926316
"1112552"	607.100092	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2K+H"	78.933592
"1346383"	607.187707	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+DMSO+H"	79.021207
"1014912"	611.226876	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2ACN+H"	83.060376
"1538504"	612.220508	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+IsoProp+Na+H"	84.054008
"1004588"	306.117076	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+2ACN+2H"	84.067652
"1597270"	613.135128	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+K+HCOOH"	84.968628
"1424020"	643.166638	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+H+CF3COOH"	115.000138
"1155402"	326.630351	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+3ACN+2H"	125.094202
"1709336"	660.193185	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+NH4+CF3COOH"	132.026685
"1649770"	665.14858	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+Na+CF3COOH"	136.98208
"1586104"	681.12252	"C11289"	"17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);Estradiol 17beta-glucuronide 3-sulfate"	"C24H32O11S"	"528.1665"	"M+K+CF3COOH"	152.95602
"806628"	247.04	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M"	0
"980160"	228.02161	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-H2O-H"	-19.01839
"63295"	163.686057333333	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M-3H"	-3.021828
"503209"	246.032724	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M-3H"	-3.021828
"880179"	81.3393906666667	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-3H"	-3.021828
"237"	246.032724	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M-2H"	-2.014552
"440089"	369.552724	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M-2H"	-2.014552
"824988"	122.512724	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-2H"	-2.014552
"88261"	493.072724	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M-H"	-1.007276
"526727"	740.112724	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M-H"	-1.007276
"896021"	246.032724	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-H"	-1.007276
"49419"	510.099271	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M-2H+NH4"	16.019271
"488373"	757.139271	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M-2H+NH4"	16.019271
"866415"	263.059271	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-2H+NH4"	16.019271
"34317"	515.054666	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M-2H+Na"	20.974666
"480446"	762.094666	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M-2H+Na"	20.974666
"849174"	268.014666	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-2H+Na"	20.974666
"1619396"	268.014666	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Na-2H"	20.974666
"94463"	264.021063	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M-H+Cl"	33.962126
"546059"	387.541063	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M-H+Cl"	33.962126
"927139"	140.501063	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-H+Cl"	33.962126
"267198"	529.049402	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+Cl"	34.969402
"663271"	776.089402	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+Cl"	34.969402
"1280776"	282.009402	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Cl"	34.969402
"20417"	531.028606	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M-2H+K"	36.948606
"463987"	778.068606	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M-2H+K"	36.948606
"839600"	283.988606	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-2H+K"	36.948606
"1564182"	283.988606	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+K-2H"	36.948606
"953158"	292.038194	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-H+HCOOH"	44.998194
"364446"	539.078201	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+HCOOH-H"	44.998201
"347965"	553.093851	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+Hac-H"	59.013851
"1499350"	306.053851	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Hac-H"	59.013851
"962881"	314.020151	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-H+NaCOOH"	66.980151
"114343"	282.009402	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+2Cl"	69.938804
"557922"	405.529402	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+2Cl"	69.938804
"1031098"	158.489402	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2Cl"	69.938804
"1249585"	325.958885	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Br"	78.918885
"1314218"	328.014872	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Cl+HCOOH"	80.974872
"1330619"	349.996829	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Cl+NaCOOH"	102.956829
"921677"	360.025586	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M-H+CF3COOH"	112.985586
"1303377"	396.002264	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Cl+CF3COOH"	148.962264
"1380930"	212.027324	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H-2H2O"	-35.012676
"1394050"	230.0373	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H-H2O"	-17.0027
"297028"	495.087276	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+H"	1.007276
"690540"	742.127276	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+H"	1.007276
"1366163"	248.047276	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H"	1.007276
"141104"	248.047276	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+2H"	2.014552
"581153"	371.567276	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+2H"	2.014552
"1052759"	124.527276	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2H"	2.014552
"219203"	165.700609333333	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+3H"	3.021828
"659251"	248.047276	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+3H"	3.021828
"1178400"	83.3539426666667	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+3H"	3.021828
"439892"	512.113823	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+NH4"	18.033823
"800914"	759.153823	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+NH4"	18.033823
"1696516"	265.073823	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+NH4"	18.033823
"345682"	256.5605495	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+H+NH4"	19.041099
"737904"	380.0805495	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+H+NH4"	19.041099
"1492455"	133.0405495	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H+NH4"	19.041099
"407890"	517.069218	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+Na"	22.989218
"769572"	764.109218	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+Na"	22.989218
"1618037"	270.029218	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Na"	22.989218
"324467"	259.038247	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+H+Na"	23.996494
"721995"	382.558247	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+H+Na"	23.996494
"1475088"	135.518247	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H+Na"	23.996494
"1066149"	90.6812566666667	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2H+Na"	25.00377
"1268919"	280.073486	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+CH3OH+H"	33.033486
"383122"	533.043158	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+K"	38.963158
"740837"	780.083158	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+K"	38.963158
"1540335"	286.003158	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+K"	38.963158
"298968"	267.025217	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+H+K"	39.970434
"697952"	390.545217	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+H+K"	39.970434
"1453958"	143.505217	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H+K"	39.970434
"235910"	536.113826	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+ACN+H"	42.033826
"1211016"	289.073826	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+ACN+H"	42.033826
"1199156"	145.040551	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+ACN+2H"	43.041102
"193126"	539.05116	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+2Na-H"	44.97116
"634504"	786.09116	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+2Na-H"	44.97116
"1134000"	292.01116	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2Na-H"	44.97116
"181671"	270.029218	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+2Na"	45.978436
"621231"	393.549218	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+2Na"	45.978436
"1121819"	146.509218	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2Na"	45.978436
"1403885"	98.0085706666667	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H+2Na"	46.985712
"1434539"	294.052746	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H+HCOOH"	47.012746
"227886"	275.06224	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+3H2O+2H"	56.04448
"1513761"	308.10479	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+IsoProp+H"	61.06479
"420007"	278.016188	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+Na+K"	61.952376
"779910"	401.536188	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+Na+K"	61.952376
"1674054"	154.496188	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Na+K"	61.952376
"265920"	558.095768	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+ACN+Na"	64.015768
"1239482"	311.055768	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+ACN+Na"	64.015768
"1726912"	311.079293	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+NH4+HCOOH"	64.039293
"1184254"	105.335884666667	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+3Na"	68.967654
"1655241"	316.034688	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Na+HCOOH"	68.994688
"164289"	570.99904	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+2K-H"	76.91904
"602756"	818.03904	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+2K-H"	76.91904
"1093829"	323.95904	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2K-H"	76.91904
"153558"	286.003158	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"2M+2K"	77.926316
"591294"	409.523158	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"3M+2K"	77.926316
"1079088"	162.483158	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2K"	77.926316
"1112298"	325.973592	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2K+H"	78.933592
"1346493"	326.061207	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+DMSO+H"	79.021207
"1016115"	330.100376	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2ACN+H"	83.060376
"1535336"	331.094008	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+IsoProp+Na+H"	84.054008
"1002875"	165.553826	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+2ACN+2H"	84.067652
"1598473"	332.008628	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+K+HCOOH"	84.968628
"1424130"	362.040138	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+H+CF3COOH"	115.000138
"1155512"	186.067101	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+3ACN+2H"	125.094202
"1710539"	379.066685	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+NH4+CF3COOH"	132.026685
"1649840"	384.02208	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+Na+CF3COOH"	136.98208
"1586214"	399.99602	"C11290"	"3-Chlorosalicylanilide"	"C13H10ClNO2"	"247.04"	"M+K+CF3COOH"	152.95602
"806738"	401.2348	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M"	0
"976990"	382.21641	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-H2O-H"	-19.01839
"63486"	266.482590666667	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M-3H"	-3.021828
"503327"	400.227524	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M-3H"	-3.021828
"880767"	132.737657333333	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-3H"	-3.021828
"268"	400.227524	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M-2H"	-2.014552
"440312"	600.844924	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M-2H"	-2.014552
"825098"	199.610124	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-2H"	-2.014552
"90558"	801.462324	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M-H"	-1.007276
"522462"	1202.697124	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M-H"	-1.007276
"896131"	400.227524	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-H"	-1.007276
"50260"	818.488871	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M-2H+NH4"	16.019271
"487388"	1219.723671	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M-2H+NH4"	16.019271
"864506"	417.254071	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-2H+NH4"	16.019271
"32245"	823.444266	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M-2H+Na"	20.974666
"480556"	1224.679066	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M-2H+Na"	20.974666
"849609"	422.209466	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-2H+Na"	20.974666
"1620235"	422.209466	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Na-2H"	20.974666
"94450"	418.215863	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M-H+Cl"	33.962126
"543983"	618.833263	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M-H+Cl"	33.962126
"929842"	217.598463	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-H+Cl"	33.962126
"268400"	837.439002	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+Cl"	34.969402
"662648"	1238.673802	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+Cl"	34.969402
"1275780"	436.204202	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Cl"	34.969402
"17973"	839.418206	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M-2H+K"	36.948606
"460815"	1240.653006	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M-2H+K"	36.948606
"836429"	438.183406	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-2H+K"	36.948606
"1557729"	438.183406	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+K-2H"	36.948606
"946708"	446.232994	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-H+HCOOH"	44.998194
"364193"	847.467801	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+HCOOH-H"	44.998201
"348075"	861.483451	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+Hac-H"	59.013851
"1496540"	460.248651	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Hac-H"	59.013851
"961534"	468.214951	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-H+NaCOOH"	66.980151
"116274"	436.204202	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+2Cl"	69.938804
"558032"	636.821602	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+2Cl"	69.938804
"1031208"	235.586802	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2Cl"	69.938804
"1249695"	480.153685	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Br"	78.918885
"1313234"	482.209672	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Cl+HCOOH"	80.974872
"1330729"	504.191629	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Cl+NaCOOH"	102.956829
"923973"	514.220386	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M-H+CF3COOH"	112.985586
"1301785"	550.197064	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Cl+CF3COOH"	148.962264
"1380918"	366.222124	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H-2H2O"	-35.012676
"1394160"	384.2321	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H-H2O"	-17.0027
"297262"	803.476876	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+H"	1.007276
"689921"	1204.711676	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+H"	1.007276
"1365183"	402.242076	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H"	1.007276
"140622"	402.242076	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+2H"	2.014552
"579457"	602.859476	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+2H"	2.014552
"1052269"	201.624676	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2H"	2.014552
"218342"	268.497142666667	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+3H"	3.021828
"658632"	402.242076	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+3H"	3.021828
"1178429"	134.752209333333	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+3H"	3.021828
"439424"	820.503423	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+NH4"	18.033823
"800658"	1221.738223	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+NH4"	18.033823
"1695169"	419.268623	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+NH4"	18.033823
"345615"	410.7553495	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+H+NH4"	19.041099
"737691"	611.3727495	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+H+NH4"	19.041099
"1491756"	210.1379495	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H+NH4"	19.041099
"407275"	825.458818	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+Na"	22.989218
"769363"	1226.693618	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+Na"	22.989218
"1617702"	424.224018	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Na"	22.989218
"323484"	413.233047	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+H+Na"	23.996494
"722348"	613.850447	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+H+Na"	23.996494
"1475927"	212.615647	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H+Na"	23.996494
"1065530"	142.079523333333	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2H+Na"	25.00377
"1269031"	434.268286	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+CH3OH+H"	33.033486
"382142"	841.432758	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+K"	38.963158
"742043"	1242.667558	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+K"	38.963158
"1544095"	440.197958	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+K"	38.963158
"302363"	421.220017	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+H+K"	39.970434
"694782"	621.837417	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+H+K"	39.970434
"1449695"	220.602617	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H+K"	39.970434
"236475"	844.503426	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+ACN+H"	42.033826
"1212100"	443.268626	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+ACN+H"	42.033826
"1199995"	222.137951	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+ACN+2H"	43.041102
"194329"	847.44076	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+2Na-H"	44.97116
"635708"	1248.67556	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+2Na-H"	44.97116
"1135203"	446.20596	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2Na-H"	44.97116
"181781"	424.224018	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+2Na"	45.978436
"621341"	624.841418	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+2Na"	45.978436
"1120472"	223.606618	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2Na"	45.978436
"1400346"	149.406837333333	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H+2Na"	46.985712
"1433920"	448.247546	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H+HCOOH"	47.012746
"227997"	429.25704	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+3H2O+2H"	56.04448
"1516058"	462.29959	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+IsoProp+H"	61.06479
"422304"	432.210988	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+Na+K"	61.952376
"780020"	632.828388	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+Na+K"	61.952376
"1676351"	231.593588	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Na+K"	61.952376
"265058"	866.485368	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+ACN+Na"	64.015768
"1239229"	465.250568	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+ACN+Na"	64.015768
"1726292"	465.274093	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+NH4+HCOOH"	64.039293
"1184365"	156.734151333333	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+3Na"	68.967654
"1654258"	470.229488	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Na+HCOOH"	68.994688
"161119"	879.38864	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+2K-H"	76.91904
"602866"	1280.62344	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+2K-H"	76.91904
"1094666"	478.15384	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2K-H"	76.91904
"152937"	440.197958	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"2M+2K"	77.926316
"588124"	640.815358	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"3M+2K"	77.926316
"1078105"	239.580558	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2K"	77.926316
"1108033"	480.168392	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2K+H"	78.933592
"1345510"	480.256007	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+DMSO+H"	79.021207
"1015132"	484.295176	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2ACN+H"	83.060376
"1537631"	485.288808	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+IsoProp+Na+H"	84.054008
"1002983"	242.651226	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+2ACN+2H"	84.067652
"1597487"	486.203428	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+K+HCOOH"	84.968628
"1424240"	516.234938	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+H+CF3COOH"	115.000138
"1152341"	263.164501	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+3ACN+2H"	125.094202
"1710649"	533.261485	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+NH4+CF3COOH"	132.026685
"1649665"	538.21688	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+Na+CF3COOH"	136.98208
"1586324"	554.19082	"C11292"	"N-Acetylleucyl-leucyl-methioninal"	"C19H35N3O4S"	"401.2348"	"M+K+CF3COOH"	152.95602
"806848"	327.0541	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M"	0
"978193"	308.03571	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-H2O-H"	-19.01839
"64610"	217.028790666667	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M-3H"	-3.021828
"505258"	326.046824	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M-3H"	-3.021828
"881604"	108.010757333333	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-3H"	-3.021828
"1275"	326.046824	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M-2H"	-2.014552
"441562"	489.573874	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M-2H"	-2.014552
"826301"	162.519774	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-2H"	-2.014552
"89575"	653.100924	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M-H"	-1.007276
"526945"	980.155024	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M-H"	-1.007276
"899279"	326.046824	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-H"	-1.007276
"52557"	670.127471	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M-2H+NH4"	16.019271
"488961"	997.181571	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M-2H+NH4"	16.019271
"868827"	343.073371	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-2H+NH4"	16.019271
"36728"	675.082866	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M-2H+Na"	20.974666
"479573"	1002.136966	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M-2H+Na"	20.974666
"851906"	348.028766	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-2H+Na"	20.974666
"1622532"	348.028766	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Na-2H"	20.974666
"96875"	344.035163	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M-H+Cl"	33.962126
"542997"	507.562213	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M-H+Cl"	33.962126
"931046"	180.508113	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-H+Cl"	33.962126
"269603"	689.077602	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+Cl"	34.969402
"664581"	1016.131702	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+Cl"	34.969402
"1272971"	362.023502	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Cl"	34.969402
"19541"	691.056806	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M-2H+K"	36.948606
"458739"	1018.110906	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M-2H+K"	36.948606
"836539"	364.002706	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-2H+K"	36.948606
"1557474"	364.002706	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+K-2H"	36.948606
"947182"	372.052294	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-H+HCOOH"	44.998194
"366125"	699.106401	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+HCOOH-H"	44.998201
"350372"	713.122051	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+Hac-H"	59.013851
"1495557"	386.067951	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Hac-H"	59.013851
"962008"	394.034251	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-H+NaCOOH"	66.980151
"114562"	362.023502	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+2Cl"	69.938804
"557049"	525.550552	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+2Cl"	69.938804
"1028037"	198.496452	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2Cl"	69.938804
"1248712"	405.972985	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Br"	78.918885
"1310064"	408.028972	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Cl+HCOOH"	80.974872
"1327559"	430.010929	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Cl+NaCOOH"	102.956829
"921896"	440.039686	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M-H+CF3COOH"	112.985586
"1298614"	476.016364	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Cl+CF3COOH"	148.962264
"1380056"	292.041424	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H-2H2O"	-35.012676
"1387710"	310.0514	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H-H2O"	-17.0027
"297243"	655.115476	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+H"	1.007276
"690517"	982.169576	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+H"	1.007276
"1365293"	328.061376	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H"	1.007276
"140733"	328.061376	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+2H"	2.014552
"580657"	491.588426	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+2H"	2.014552
"1051523"	164.534326	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2H"	2.014552
"219713"	219.043342666667	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+3H"	3.021828
"659600"	328.061376	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+3H"	3.021828
"1178252"	110.025309333333	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+3H"	3.021828
"439172"	672.142023	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+NH4"	18.033823
"800165"	999.196123	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+NH4"	18.033823
"1696372"	345.087923	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+NH4"	18.033823
"344774"	336.5746495	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+H+NH4"	19.041099
"737193"	500.1016995	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+H+NH4"	19.041099
"1491258"	173.0475995	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H+NH4"	19.041099
"407263"	677.097418	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+Na"	22.989218
"769110"	1004.151518	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+Na"	22.989218
"1616842"	350.043318	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Na"	22.989218
"325781"	339.052347	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+H+Na"	23.996494
"721367"	502.579397	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+H+Na"	23.996494
"1474945"	175.525297	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H+Na"	23.996494
"1065276"	117.352623333333	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2H+Na"	25.00377
"1269141"	360.087586	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+CH3OH+H"	33.033486
"383345"	693.071358	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+K"	38.963158
"738994"	1020.125458	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+K"	38.963158
"1544203"	366.017258	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+K"	38.963158
"301379"	347.039317	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+H+K"	39.970434
"693070"	510.566367	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+H+K"	39.970434
"1447619"	183.512267	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H+K"	39.970434
"236222"	696.142026	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+ACN+H"	42.033826
"1210057"	369.087926	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+ACN+H"	42.033826
"1200835"	185.047601	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+ACN+2H"	43.041102
"192251"	699.07936	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+2Na-H"	44.97116
"635454"	1026.13346	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+2Na-H"	44.97116
"1134220"	372.02526	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2Na-H"	44.97116
"181891"	350.043318	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+2Na"	45.978436
"621451"	513.570368	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+2Na"	45.978436
"1120582"	186.516268	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2Na"	45.978436
"1403372"	124.679937333333	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H+2Na"	46.985712
"1434395"	374.066846	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H+HCOOH"	47.012746
"227014"	355.07634	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+3H2O+2H"	56.04448
"1515075"	388.11889	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+IsoProp+H"	61.06479
"420228"	358.030288	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+Na+K"	61.952376
"776121"	521.557338	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+Na+K"	61.952376
"1671358"	194.503238	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Na+K"	61.952376
"264075"	718.123968	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+ACN+Na"	64.015768
"1237515"	391.069868	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+ACN+Na"	64.015768
"1721662"	391.093393	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+NH4+HCOOH"	64.039293
"1185202"	132.007251333333	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+3Na"	68.967654
"1657649"	396.048788	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Na+HCOOH"	68.994688
"162323"	731.02724	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+2K-H"	76.91904
"606256"	1058.08134	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+2K-H"	76.91904
"1093683"	403.97314	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2K-H"	76.91904
"147581"	366.017258	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"2M+2K"	77.926316
"588233"	529.544308	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"3M+2K"	77.926316
"1074935"	202.490208	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2K"	77.926316
"1104862"	405.987692	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2K+H"	78.933592
"1340152"	406.075307	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+DMSO+H"	79.021207
"1014149"	410.114476	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2ACN+H"	83.060376
"1534461"	411.108108	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+IsoProp+Na+H"	84.054008
"1003094"	205.560876	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+2ACN+2H"	84.067652
"1597597"	412.022728	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+K+HCOOH"	84.968628
"1424350"	442.054238	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+H+CF3COOH"	115.000138
"1151358"	226.074151	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+3ACN+2H"	125.094202
"1710759"	459.080785	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+NH4+CF3COOH"	132.026685
"1649817"	464.03618	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+Na+CF3COOH"	136.98208
"1586434"	480.01012	"C11293"	"Etaconazole;CGA 64251"	"C14H15Cl2N3O2"	"327.0541"	"M+K+CF3COOH"	152.95602
"806958"	674.4367	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M"	0
"977210"	655.41831	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-H2O-H"	-19.01839
"64720"	448.617190666667	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M-3H"	-3.021828
"503914"	673.429424	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M-3H"	-3.021828
"880621"	223.804957333333	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-3H"	-3.021828
"775"	673.429424	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M-2H"	-2.014552
"440575"	1010.647774	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M-2H"	-2.014552
"827504"	336.211074	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-2H"	-2.014552
"86404"	1347.866124	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M-H"	-1.007276
"528149"	2022.302824	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M-H"	-1.007276
"899387"	673.429424	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-H"	-1.007276
"51574"	1364.892671	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M-2H+NH4"	16.019271
"489193"	2039.329371	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M-2H+NH4"	16.019271
"866995"	690.455971	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-2H+NH4"	16.019271
"35744"	1369.848066	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M-2H+Na"	20.974666
"474336"	2044.284766	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M-2H+Na"	20.974666
"850922"	695.411366	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-2H+Na"	20.974666
"1620456"	695.411366	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Na-2H"	20.974666
"100265"	691.417763	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M-H+Cl"	33.962126
"542014"	1028.636113	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M-H+Cl"	33.962126
"937718"	354.199413	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-H+Cl"	33.962126
"269714"	1383.842802	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+Cl"	34.969402
"662139"	2058.279502	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+Cl"	34.969402
"1273921"	709.406102	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Cl"	34.969402
"19286"	1385.822006	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M-2H+K"	36.948606
"464317"	2060.258706	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M-2H+K"	36.948606
"836650"	711.385306	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-2H+K"	36.948606
"1561231"	711.385306	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+K-2H"	36.948606
"953489"	719.434894	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-H+HCOOH"	44.998194
"365507"	1393.871601	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+HCOOH-H"	44.998201
"350847"	1407.887251	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+Hac-H"	59.013851
"1496398"	733.450551	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Hac-H"	59.013851
"961754"	741.416851	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-H+NaCOOH"	66.980151
"120869"	709.406102	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+2Cl"	69.938804
"559344"	1046.624452	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+2Cl"	69.938804
"1030331"	372.187752	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2Cl"	69.938804
"1251005"	753.355585	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Br"	78.918885
"1312361"	755.411572	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Cl+HCOOH"	80.974872
"1333867"	777.393529	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Cl+NaCOOH"	102.956829
"926707"	787.422286	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M-H+CF3COOH"	112.985586
"1300911"	823.398964	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Cl+CF3COOH"	148.962264
"1381259"	639.424024	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H-2H2O"	-35.012676
"1397660"	657.434	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H-H2O"	-17.0027
"297725"	1349.880676	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+H"	1.007276
"691116"	2024.317376	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+H"	1.007276
"1365404"	675.443976	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H"	1.007276
"140966"	675.443976	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+2H"	2.014552
"579919"	1012.662326	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+2H"	2.014552
"1051759"	338.225626	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2H"	2.014552
"219742"	450.631742666667	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+3H"	3.021828
"659225"	675.443976	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+3H"	3.021828
"1177597"	225.819509333333	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+3H"	3.021828
"439163"	1366.907223	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+NH4"	18.033823
"800643"	2041.343923	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+NH4"	18.033823
"1696361"	692.470523	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+NH4"	18.033823
"344524"	683.9572495	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+H+NH4"	19.041099
"736822"	1021.1755995	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+H+NH4"	19.041099
"1491370"	346.7388995	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H+NH4"	19.041099
"407496"	1371.862618	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+Na"	22.989218
"769097"	2046.299318	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+Na"	22.989218
"1617807"	697.425918	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Na"	22.989218
"322612"	686.434947	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+H+Na"	23.996494
"717221"	1023.653297	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+H+Na"	23.996494
"1473228"	349.216597	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H+Na"	23.996494
"1066605"	233.146823333333	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2H+Na"	25.00377
"1268892"	707.470186	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+CH3OH+H"	33.033486
"387828"	1387.836558	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+K"	38.963158
"744452"	2062.273258	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+K"	38.963158
"1544315"	713.399858	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+K"	38.963158
"302949"	694.421917	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+H+K"	39.970434
"691843"	1031.640267	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+H+K"	39.970434
"1452104"	357.203567	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H+K"	39.970434
"238884"	1390.907226	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+ACN+H"	42.033826
"1210252"	716.470526	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+ACN+H"	42.033826
"1198028"	358.738901	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+ACN+2H"	43.041102
"194550"	1393.84456	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+2Na-H"	44.97116
"633380"	2068.28126	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+2Na-H"	44.97116
"1137976"	719.40786	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2Na-H"	44.97116
"178353"	697.425918	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+2Na"	45.978436
"622654"	1034.644268	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+2Na"	45.978436
"1125067"	360.207568	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2Na"	45.978436
"1403122"	240.474137333333	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H+2Na"	46.985712
"1434141"	721.449446	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H+HCOOH"	47.012746
"229310"	702.45894	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+3H2O+2H"	56.04448
"1514456"	735.50149	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+IsoProp+H"	61.06479
"419245"	705.412888	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+Na+K"	61.952376
"779147"	1042.631238	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+Na+K"	61.952376
"1677666"	368.194538	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Na+K"	61.952376
"263095"	1412.889168	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+ACN+Na"	64.015768
"1236900"	738.452468	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+ACN+Na"	64.015768
"1726147"	738.475993	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+NH4+HCOOH"	64.039293
"1187864"	247.801451333333	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+3Na"	68.967654
"1659947"	743.431388	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Na+HCOOH"	68.994688
"168265"	1425.79244	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+2K-H"	76.91904
"608190"	2100.22914	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+2K-H"	76.91904
"1095982"	751.35574	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2K-H"	76.91904
"147693"	713.399858	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"2M+2K"	77.926316
"589438"	1050.618208	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"3M+2K"	77.926316
"1076138"	376.181508	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2K"	77.926316
"1104973"	753.370292	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2K+H"	78.933592
"1340263"	753.457907	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+DMSO+H"	79.021207
"1009887"	757.497076	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2ACN+H"	83.060376
"1532385"	758.490708	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+IsoProp+Na+H"	84.054008
"1002112"	379.252176	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+2ACN+2H"	84.067652
"1597709"	759.405328	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+K+HCOOH"	84.968628
"1427012"	789.436838	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+H+CF3COOH"	115.000138
"1158759"	399.765451	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+3ACN+2H"	125.094202
"1706487"	806.463385	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+NH4+CF3COOH"	132.026685
"1649806"	811.41878	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+Na+CF3COOH"	136.98208
"1586544"	827.39272	"C11295"	"N-Acetyl-leu-leu-leu-leu-tyr-amide;NAc-L4Y-amide"	"C35H58N6O7"	"674.4367"	"M+K+CF3COOH"	152.95602
"807068"	561.3526	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M"	0
"977320"	542.33421	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-H2O-H"	-19.01839
"64828"	373.227790666667	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M-3H"	-3.021828
"504388"	560.345324	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M-3H"	-3.021828
"880724"	186.110257333333	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-3H"	-3.021828
"433"	560.345324	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M-2H"	-2.014552
"440561"	841.021624	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M-2H"	-2.014552
"826520"	279.669024	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-2H"	-2.014552
"87607"	1121.697924	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M-H"	-1.007276
"521698"	1683.050524	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M-H"	-1.007276
"898404"	560.345324	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-H"	-1.007276
"52777"	1138.724471	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M-2H+NH4"	16.019271
"489053"	1700.077071	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M-2H+NH4"	16.019271
"866132"	577.371871	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-2H+NH4"	16.019271
"34030"	1143.679866	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M-2H+Na"	20.974666
"475418"	1705.032466	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M-2H+Na"	20.974666
"852125"	582.327266	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-2H+Na"	20.974666
"1620687"	582.327266	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Na-2H"	20.974666
"96365"	578.333663	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M-H+Cl"	33.962126
"543217"	859.009963	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M-H+Cl"	33.962126
"930174"	297.657363	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-H+Cl"	33.962126
"269090"	1157.674602	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+Cl"	34.969402
"661885"	1719.027202	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+Cl"	34.969402
"1273064"	596.322002	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Cl"	34.969402
"19396"	1159.653806	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M-2H+K"	36.948606
"464427"	1721.006406	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M-2H+K"	36.948606
"836030"	598.301206	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-2H+K"	36.948606
"1560612"	598.301206	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+K-2H"	36.948606
"953235"	606.350794	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-H+HCOOH"	44.998194
"365252"	1167.703401	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+HCOOH-H"	44.998201
"350957"	1181.719051	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+Hac-H"	59.013851
"1496507"	620.366451	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Hac-H"	59.013851
"960406"	628.332751	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-H+NaCOOH"	66.980151
"120979"	596.322002	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+2Cl"	69.938804
"554345"	876.998302	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+2Cl"	69.938804
"1031528"	315.645702	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2Cl"	69.938804
"1246732"	640.271485	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Br"	78.918885
"1314653"	642.327472	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Cl+HCOOH"	80.974872
"1331788"	664.309429	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Cl+NaCOOH"	102.956829
"923209"	674.338186	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M-H+CF3COOH"	112.985586
"1298832"	710.314864	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Cl+CF3COOH"	148.962264
"1378086"	526.339924	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H-2H2O"	-35.012676
"1391207"	544.3499	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H-H2O"	-17.0027
"298194"	1123.712476	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+H"	1.007276
"691182"	1685.065076	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+H"	1.007276
"1366605"	562.359876	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H"	1.007276
"140226"	562.359876	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+2H"	2.014552
"579427"	843.036176	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+2H"	2.014552
"1051866"	281.683576	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2H"	2.014552
"219648"	375.242342666667	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+3H"	3.021828
"659577"	562.359876	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+3H"	3.021828
"1178184"	188.124809333333	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+3H"	3.021828
"439957"	1140.739023	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+NH4"	18.033823
"801200"	1702.091623	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+NH4"	18.033823
"1696983"	579.386423	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+NH4"	18.033823
"344878"	570.8731495	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+H+NH4"	19.041099
"737985"	851.5494495	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+H+NH4"	19.041099
"1492250"	290.1968495	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H+NH4"	19.041099
"407242"	1145.694418	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+Na"	22.989218
"767503"	1707.047018	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+Na"	22.989218
"1618281"	584.341818	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Na"	22.989218
"327096"	573.350847	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+H+Na"	23.996494
"722441"	854.027147	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+H+Na"	23.996494
"1474431"	292.674547	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H+Na"	23.996494
"1066958"	195.452123333333	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2H+Na"	25.00377
"1268272"	594.386086	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+CH3OH+H"	33.033486
"385751"	1161.668358	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+K"	38.963158
"745655"	1723.020958	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+K"	38.963158
"1543696"	600.315758	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+K"	38.963158
"302695"	581.337817	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+H+K"	39.970434
"691833"	862.014117	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+H+K"	39.970434
"1452214"	300.661517	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H+K"	39.970434
"243003"	1164.739026	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+ACN+H"	42.033826
"1210605"	603.386426	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+ACN+H"	42.033826
"1197774"	302.196851	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+ACN+2H"	43.041102
"195019"	1167.67636	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+2Na-H"	44.97116
"633852"	1729.02896	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+2Na-H"	44.97116
"1136994"	606.32376	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2Na-H"	44.97116
"177735"	584.341818	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+2Na"	45.978436
"614981"	865.018118	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+2Na"	45.978436
"1121166"	303.665518	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2Na"	45.978436
"1402138"	202.779437333333	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H+2Na"	46.985712
"1435345"	608.365346	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H+HCOOH"	47.012746
"231607"	589.37484	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+3H2O+2H"	56.04448
"1514202"	622.41739	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+IsoProp+H"	61.06479
"417169"	592.328788	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+Na+K"	61.952376
"777070"	873.005088	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+Na+K"	61.952376
"1676682"	311.652488	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Na+K"	61.952376
"265388"	1186.720968	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+ACN+Na"	64.015768
"1239073"	625.368368	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+ACN+Na"	64.015768
"1726983"	625.391893	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+NH4+HCOOH"	64.039293
"1186881"	210.106751333333	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+3Na"	68.967654
"1658964"	630.347288	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Na+HCOOH"	68.994688
"168375"	1199.62424	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+2K-H"	76.91904
"607572"	1760.97684	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+2K-H"	76.91904
"1095363"	638.27164	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2K-H"	76.91904
"151083"	600.315758	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"2M+2K"	77.926316
"589549"	880.992058	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"3M+2K"	77.926316
"1072968"	319.639458	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2K"	77.926316
"1105083"	640.286192	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2K+H"	78.933592
"1342560"	640.373807	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+DMSO+H"	79.021207
"1011090"	644.412976	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2ACN+H"	83.060376
"1528121"	645.406608	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+IsoProp+Na+H"	84.054008
"1001858"	322.710126	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+2ACN+2H"	84.067652
"1598912"	646.321228	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+K+HCOOH"	84.968628
"1425664"	676.352738	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+H+CF3COOH"	115.000138
"1159233"	343.223401	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+3ACN+2H"	125.094202
"1703317"	693.379285	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+NH4+CF3COOH"	132.026685
"1649811"	698.33468	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+Na+CF3COOH"	136.98208
"1586654"	714.30862	"C11296"	"N-Acetyl-leu-leu-leu-tyr-amide;NAc-L3Y-amide"	"C29H47N5O6"	"561.3526"	"M+K+CF3COOH"	152.95602
"807178"	448.2686	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M"	0
"978523"	429.25021	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-H2O-H"	-19.01839
"66032"	297.838457333333	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M-3H"	-3.021828
"503401"	447.261324	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M-3H"	-3.021828
"880352"	148.415590666667	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-3H"	-3.021828
"140"	447.261324	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M-2H"	-2.014552
"440147"	671.395624	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M-2H"	-2.014552
"826630"	223.127024	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-2H"	-2.014552
"90632"	895.529924	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M-H"	-1.007276
"521808"	1343.798524	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M-H"	-1.007276
"898513"	447.261324	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-H"	-1.007276
"51794"	912.556471	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M-2H+NH4"	16.019271
"492448"	1360.825071	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M-2H+NH4"	16.019271
"866968"	464.287871	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-2H+NH4"	16.019271
"33413"	917.511866	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M-2H+Na"	20.974666
"476621"	1365.780466	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M-2H+Na"	20.974666
"853328"	469.243266	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-2H+Na"	20.974666
"1621769"	469.243266	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Na-2H"	20.974666
"97204"	465.249663	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M-H+Cl"	33.962126
"542233"	689.383963	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M-H+Cl"	33.962126
"930284"	241.115363	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-H+Cl"	33.962126
"267620"	931.506602	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+Cl"	34.969402
"660201"	1379.775202	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+Cl"	34.969402
"1272967"	483.238002	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Cl"	34.969402
"19506"	933.485806	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M-2H+K"	36.948606
"464537"	1381.754406	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M-2H+K"	36.948606
"833951"	485.217206	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-2H+K"	36.948606
"1559628"	485.217206	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+K-2H"	36.948606
"946051"	493.266794	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-H+HCOOH"	44.998194
"364998"	941.535401	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+HCOOH-H"	44.998201
"348151"	955.551051	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+Hac-H"	59.013851
"1496253"	507.282451	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Hac-H"	59.013851
"960510"	515.248751	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-H+NaCOOH"	66.980151
"111971"	483.238002	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+2Cl"	69.938804
"551171"	707.372302	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+2Cl"	69.938804
"1024710"	259.103702	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2Cl"	69.938804
"1245381"	527.187485	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Br"	78.918885
"1310021"	529.243472	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Cl+HCOOH"	80.974872
"1331168"	551.225429	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Cl+NaCOOH"	102.956829
"917851"	561.254186	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M-H+CF3COOH"	112.985586
"1300035"	597.230864	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Cl+CF3COOH"	148.962264
"1380018"	413.255924	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H-2H2O"	-35.012676
"1391317"	431.2659	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H-H2O"	-17.0027
"297943"	897.544476	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+H"	1.007276
"691137"	1345.813076	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+H"	1.007276
"1366989"	449.275876	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H"	1.007276
"140700"	449.275876	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+2H"	2.014552
"579537"	673.410176	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+2H"	2.014552
"1051610"	225.141576	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2H"	2.014552
"219637"	299.853009333333	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+3H"	3.021828
"659528"	449.275876	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+3H"	3.021828
"1178461"	150.430142666667	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+3H"	3.021828
"439900"	914.571023	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+NH4"	18.033823
"801189"	1362.839623	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+NH4"	18.033823
"1696746"	466.302423	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+NH4"	18.033823
"345306"	457.7891495	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+H+NH4"	19.041099
"737404"	681.9234495	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+H+NH4"	19.041099
"1491224"	233.6548495	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H+NH4"	19.041099
"407230"	919.526418	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+Na"	22.989218
"767615"	1367.795018	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+Na"	22.989218
"1617173"	471.257818	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Na"	22.989218
"327206"	460.266847	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+H+Na"	23.996494
"720724"	684.401147	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+H+Na"	23.996494
"1473448"	236.132547	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H+Na"	23.996494
"1066340"	157.757456666667	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2H+Na"	25.00377
"1271298"	481.302086	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+CH3OH+H"	33.033486
"385861"	935.500358	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+K"	38.963158
"749044"	1383.768958	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+K"	38.963158
"1543806"	487.231758	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+K"	38.963158
"301346"	468.253817	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+H+K"	39.970434
"699599"	692.388117	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+H+K"	39.970434
"1452324"	244.119517	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H+K"	39.970434
"243114"	938.571026	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+ACN+H"	42.033826
"1210839"	490.302426	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+ACN+H"	42.033826
"1197520"	245.654851	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+ACN+2H"	43.041102
"195859"	941.50836	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+2Na-H"	44.97116
"634327"	1389.77696	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+2Na-H"	44.97116
"1137833"	493.23976	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2Na-H"	44.97116
"177845"	471.257818	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+2Na"	45.978436
"614483"	695.392118	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+2Na"	45.978436
"1120183"	247.123518	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2Na"	45.978436
"1403341"	165.084770666667	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H+2Na"	46.985712
"1434362"	495.281346	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H+HCOOH"	47.012746
"229530"	476.29084	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+3H2O+2H"	56.04448
"1514312"	509.33339	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+IsoProp+H"	61.06479
"415090"	479.244788	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+Na+K"	61.952376
"774993"	703.379088	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+Na+K"	61.952376
"1675699"	255.110488	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Na+K"	61.952376
"260031"	960.552968	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+ACN+Na"	64.015768
"1237115"	512.284368	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+ACN+Na"	64.015768
"1724906"	512.307893	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+NH4+HCOOH"	64.039293
"1189178"	172.412084666667	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+3Na"	68.967654
"1660164"	517.263288	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Na+HCOOH"	68.994688
"168486"	973.45624	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+2K-H"	76.91904
"609505"	1421.72484	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+2K-H"	76.91904
"1096202"	525.18764	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2K-H"	76.91904
"150100"	487.231758	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"2M+2K"	77.926316
"587471"	711.366058	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"3M+2K"	77.926316
"1069918"	263.097458	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2K"	77.926316
"1101913"	527.202192	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2K+H"	78.933592
"1340483"	527.289807	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+DMSO+H"	79.021207
"1011200"	531.328976	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2ACN+H"	83.060376
"1530418"	532.322608	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+IsoProp+Na+H"	84.054008
"1000144"	266.168126	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+2ACN+2H"	84.067652
"1600116"	533.237228	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+K+HCOOH"	84.968628
"1422493"	563.268738	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+H+CF3COOH"	115.000138
"1159343"	286.681401	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+3ACN+2H"	125.094202
"1703427"	580.295285	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+NH4+CF3COOH"	132.026685
"1649659"	585.25068	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+Na+CF3COOH"	136.98208
"1586764"	601.22462	"C11297"	"N-Acetyl-leu-leu-tyr-amide;NAc-LLY-amide"	"C23H36N4O5"	"448.2686"	"M+K+CF3COOH"	152.95602
"807288"	433.2577	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M"	0
"977540"	414.23931	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-H2O-H"	-19.01839
"63591"	287.831190666667	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M-3H"	-3.021828
"503150"	432.250424	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M-3H"	-3.021828
"879970"	143.411957333333	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-3H"	-3.021828
"250"	432.250424	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M-2H"	-2.014552
"440024"	648.879274	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M-2H"	-2.014552
"825647"	215.621574	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-2H"	-2.014552
"83451"	865.508124	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M-H"	-1.007276
"524104"	1298.765824	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M-H"	-1.007276
"896799"	432.250424	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-H"	-1.007276
"50445"	882.534671	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M-2H+NH4"	16.019271
"487451"	1315.792371	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M-2H+NH4"	16.019271
"864890"	449.276971	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-2H+NH4"	16.019271
"33522"	887.490066	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M-2H+Na"	20.974666
"472719"	1320.747766	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M-2H+Na"	20.974666
"848736"	454.232366	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-2H+Na"	20.974666
"1619000"	454.232366	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Na-2H"	20.974666
"96219"	450.238763	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M-H+Cl"	33.962126
"536875"	666.867613	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M-H+Cl"	33.962126
"931487"	233.609913	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-H+Cl"	33.962126
"267320"	901.484802	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+Cl"	34.969402
"660068"	1334.742502	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+Cl"	34.969402
"1273008"	468.227102	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Cl"	34.969402
"19980"	903.464006	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M-2H+K"	36.948606
"463554"	1336.721706	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M-2H+K"	36.948606
"834061"	470.206306	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-2H+K"	36.948606
"1556821"	470.206306	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+K-2H"	36.948606
"944703"	478.255894	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-H+HCOOH"	44.998194
"363284"	911.513601	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+HCOOH-H"	44.998201
"349354"	925.529251	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+Hac-H"	59.013851
"1496362"	492.271551	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Hac-H"	59.013851
"959283"	500.237851	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-H+NaCOOH"	66.980151
"110989"	468.227102	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+2Cl"	69.938804
"550552"	684.855952	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+2Cl"	69.938804
"1025184"	251.598252	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2Cl"	69.938804
"1245491"	512.176585	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Br"	78.918885
"1308674"	514.232572	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Cl+HCOOH"	80.974872
"1331278"	536.214529	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Cl+NaCOOH"	102.956829
"917961"	546.243286	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M-H+CF3COOH"	112.985586
"1302332"	582.219964	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Cl+CF3COOH"	148.962264
"1379399"	398.245024	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H-2H2O"	-35.012676
"1391427"	416.255	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H-H2O"	-17.0027
"297691"	867.522676	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+H"	1.007276
"691218"	1300.780376	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+H"	1.007276
"1366953"	434.264976	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H"	1.007276
"140447"	434.264976	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+2H"	2.014552
"579643"	650.893826	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+2H"	2.014552
"1052532"	217.636126	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2H"	2.014552
"219221"	289.845742666667	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+3H"	3.021828
"659677"	434.264976	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+3H"	3.021828
"1178469"	145.426509333333	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+3H"	3.021828
"439935"	884.549223	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+NH4"	18.033823
"801096"	1317.806923	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+NH4"	18.033823
"1696813"	451.291523	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+NH4"	18.033823
"345590"	442.7782495	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+H+NH4"	19.041099
"737836"	659.4070995	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+H+NH4"	19.041099
"1492062"	226.1493995	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H+NH4"	19.041099
"407459"	889.504618	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+Na"	22.989218
"768816"	1322.762318	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+Na"	22.989218
"1617281"	456.246918	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Na"	22.989218
"322942"	445.255947	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+H+Na"	23.996494
"722291"	661.884797	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+H+Na"	23.996494
"1473558"	228.627097	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H+Na"	23.996494
"1067782"	152.753823333333	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2H+Na"	25.00377
"1272377"	466.291186	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+CH3OH+H"	33.033486
"384879"	905.478558	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+K"	38.963158
"746968"	1338.736258	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+K"	38.963158
"1546832"	472.220858	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+K"	38.963158
"307288"	453.242917	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+H+K"	39.970434
"699709"	669.871767	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+H+K"	39.970434
"1452434"	236.614067	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H+K"	39.970434
"242131"	908.549226	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+ACN+H"	42.033826
"1210949"	475.291526	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+ACN+H"	42.033826
"1197265"	238.149401	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+ACN+2H"	43.041102
"192688"	911.48656	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+2Na-H"	44.97116
"634437"	1344.74426	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+2Na-H"	44.97116
"1135391"	478.22886	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2Na-H"	44.97116
"177955"	456.246918	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+2Na"	45.978436
"614715"	672.875768	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+2Na"	45.978436
"1121022"	239.618068	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2Na"	45.978436
"1403451"	160.081137333333	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H+2Na"	46.985712
"1436658"	480.270446	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H+HCOOH"	47.012746
"229640"	461.27994	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+3H2O+2H"	56.04448
"1514422"	494.32249	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+IsoProp+H"	61.06479
"413014"	464.233888	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+Na+K"	61.952376
"775103"	680.862738	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+Na+K"	61.952376
"1674716"	247.605038	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Na+K"	61.952376
"260141"	930.531168	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+ACN+Na"	64.015768
"1240141"	497.273468	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+ACN+Na"	64.015768
"1726109"	497.296993	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+NH4+HCOOH"	64.039293
"1189288"	167.408451333333	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+3Na"	68.967654
"1660274"	502.252388	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Na+HCOOH"	68.994688
"170053"	943.43444	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+2K-H"	76.91904
"609979"	1376.69214	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+2K-H"	76.91904
"1097041"	510.17674	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2K-H"	76.91904
"151303"	472.220858	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"2M+2K"	77.926316
"588674"	688.849708	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"3M+2K"	77.926316
"1070513"	255.592008	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2K"	77.926316
"1102144"	512.191292	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2K+H"	78.933592
"1341686"	512.278907	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+DMSO+H"	79.021207
"1010216"	516.318076	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2ACN+H"	83.060376
"1530528"	517.311708	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+IsoProp+Na+H"	84.054008
"998067"	258.662676	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+2ACN+2H"	84.067652
"1599131"	518.226328	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+K+HCOOH"	84.968628
"1422603"	548.257838	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+H+CF3COOH"	115.000138
"1159453"	279.175951	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+3ACN+2H"	125.094202
"1703537"	565.284385	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+NH4+CF3COOH"	132.026685
"1649768"	570.23978	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+Na+CF3COOH"	136.98208
"1586874"	586.21372	"C11298"	"N-Formyl-norleucyl-leucyl-phenylalanyl-methylester;f-NLP-ME"	"C23H35N3O5"	"433.2577"	"M+K+CF3COOH"	152.95602
"807398"	525.2475	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M"	0
"977650"	506.22911	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-H2O-H"	-19.01839
"63458"	349.157724	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M-3H"	-3.021828
"503027"	524.240224	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M-3H"	-3.021828
"880206"	174.075224	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-3H"	-3.021828
"357"	524.240224	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M-2H"	-2.014552
"440124"	786.863974	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M-2H"	-2.014552
"825757"	261.616474	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-2H"	-2.014552
"82468"	1049.487724	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M-H"	-1.007276
"524214"	1574.735224	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M-H"	-1.007276
"895690"	524.240224	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-H"	-1.007276
"47881"	1066.514271	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M-2H+NH4"	16.019271
"488410"	1591.761771	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M-2H+NH4"	16.019271
"868283"	541.266771	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-2H+NH4"	16.019271
"31725"	1071.469666	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M-2H+Na"	20.974666
"473559"	1596.717166	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M-2H+Na"	20.974666
"848533"	546.222166	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-2H+Na"	20.974666
"1620165"	546.222166	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Na-2H"	20.974666
"94911"	542.228563	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M-H+Cl"	33.962126
"536255"	804.852313	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M-H+Cl"	33.962126
"931596"	279.604813	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-H+Cl"	33.962126
"267842"	1085.464402	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+Cl"	34.969402
"660095"	1610.711902	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+Cl"	34.969402
"1272833"	560.216902	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Cl"	34.969402
"17174"	1087.443606	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M-2H+K"	36.948606
"457829"	1612.691106	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M-2H+K"	36.948606
"833926"	562.196106	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-2H+K"	36.948606
"1555877"	562.196106	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+K-2H"	36.948606
"944813"	570.245694	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-H+HCOOH"	44.998194
"362176"	1095.493201	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+HCOOH-H"	44.998201
"346787"	1109.508851	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+Hac-H"	59.013851
"1493555"	584.261351	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Hac-H"	59.013851
"958663"	592.227651	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-H+NaCOOH"	66.980151
"111220"	560.216902	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+2Cl"	69.938804
"550132"	822.840652	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+2Cl"	69.938804
"1025294"	297.593152	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2Cl"	69.938804
"1243049"	604.166385	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Br"	78.918885
"1305496"	606.222372	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Cl+HCOOH"	80.974872
"1331388"	628.204329	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Cl+NaCOOH"	102.956829
"914791"	638.233086	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M-H+CF3COOH"	112.985586
"1299163"	674.209764	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Cl+CF3COOH"	148.962264
"1377323"	490.234824	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H-2H2O"	-35.012676
"1390444"	508.2448	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H-H2O"	-17.0027
"294510"	1051.502276	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+H"	1.007276
"691287"	1576.749776	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+H"	1.007276
"1366572"	526.254776	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H"	1.007276
"140673"	526.254776	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+2H"	2.014552
"579751"	788.878526	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+2H"	2.014552
"1052556"	263.631026	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2H"	2.014552
"219726"	351.172276	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+3H"	3.021828
"659654"	526.254776	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+3H"	3.021828
"1178147"	176.089776	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+3H"	3.021828
"439798"	1068.528823	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+NH4"	18.033823
"801161"	1593.776323	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+NH4"	18.033823
"1695829"	543.281323	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+NH4"	18.033823
"343742"	534.7680495	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+H+NH4"	19.041099
"735798"	797.3917995	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+H+NH4"	19.041099
"1489616"	272.1442995	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H+NH4"	19.041099
"403922"	1073.484218	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+Na"	22.989218
"766738"	1598.731718	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+Na"	22.989218
"1613016"	548.236718	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Na"	22.989218
"327060"	537.245747	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+H+Na"	23.996494
"718756"	799.869497	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+H+Na"	23.996494
"1469294"	274.621997	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H+Na"	23.996494
"1065829"	183.41709	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2H+Na"	25.00377
"1270785"	558.280986	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+CH3OH+H"	33.033486
"384989"	1089.458158	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+K"	38.963158
"744890"	1614.705658	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+K"	38.963158
"1546942"	564.210658	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+K"	38.963158
"306304"	545.232717	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+H+K"	39.970434
"699818"	807.856467	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+H+K"	39.970434
"1451450"	282.608967	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H+K"	39.970434
"242240"	1092.528826	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+ACN+H"	42.033826
"1210569"	567.281326	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+ACN+H"	42.033826
"1195918"	284.144301	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+ACN+2H"	43.041102
"191705"	1095.46616	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+2Na-H"	44.97116
"634547"	1620.71366	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+2Na-H"	44.97116
"1134773"	570.21866	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2Na-H"	44.97116
"179158"	548.236718	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+2Na"	45.978436
"615069"	810.860468	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+2Na"	45.978436
"1121132"	285.612968	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2Na"	45.978436
"1402468"	190.744404	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H+2Na"	46.985712
"1434581"	572.260246	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H+HCOOH"	47.012746
"229750"	553.26974	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+3H2O+2H"	56.04448
"1514532"	586.31229	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+IsoProp+H"	61.06479
"414217"	556.223688	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+Na+K"	61.952376
"774119"	818.847438	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+Na+K"	61.952376
"1675919"	293.599938	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Na+K"	61.952376
"260251"	1114.510768	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+ACN+Na"	64.015768
"1237336"	589.263268	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+ACN+Na"	64.015768
"1727312"	589.286793	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+NH4+HCOOH"	64.039293
"1189397"	198.071718	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+3Na"	68.967654
"1661477"	594.242188	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Na+HCOOH"	68.994688
"169434"	1127.41404	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+2K-H"	76.91904
"611548"	1652.66154	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+2K-H"	76.91904
"1096786"	602.16654	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2K-H"	76.91904
"150320"	564.210658	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"2M+2K"	77.926316
"588784"	826.834408	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"3M+2K"	77.926316
"1070381"	301.586908	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2K"	77.926316
"1102133"	604.181092	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2K+H"	78.933592
"1341796"	604.268707	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+DMSO+H"	79.021207
"1009233"	608.307876	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2ACN+H"	83.060376
"1530638"	609.301508	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+IsoProp+Na+H"	84.054008
"999270"	304.657576	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+2ACN+2H"	84.067652
"1599241"	610.216128	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+K+HCOOH"	84.968628
"1420526"	640.247638	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+H+CF3COOH"	115.000138
"1159563"	325.170851	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+3ACN+2H"	125.094202
"1704740"	657.274185	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+NH4+CF3COOH"	132.026685
"1649801"	662.22958	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+Na+CF3COOH"	136.98208
"1586984"	678.20352	"C11299"	"Virginiamycin M1;Mikamycin A;Pristinamycin IIA;Streptogramin A"	"C28H35N3O7"	"525.2475"	"M+K+CF3COOH"	152.95602
"807508"	520.3036	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M"	0
"977760"	501.28521	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-H2O-H"	-19.01839
"64905"	345.861790666667	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M-3H"	-3.021828
"504464"	519.296324	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M-3H"	-3.021828
"881900"	172.427257333333	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-3H"	-3.021828
"2052"	519.296324	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M-2H"	-2.014552
"441495"	779.448124	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M-2H"	-2.014552
"825867"	259.144524	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-2H"	-2.014552
"82578"	1039.599924	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M-H"	-1.007276
"524324"	1559.903524	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M-H"	-1.007276
"897015"	519.296324	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-H"	-1.007276
"48233"	1056.626471	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M-2H+NH4"	16.019271
"489494"	1576.930071	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M-2H+NH4"	16.019271
"865957"	536.322871	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-2H+NH4"	16.019271
"32643"	1061.581866	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M-2H+Na"	20.974666
"472696"	1581.885466	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M-2H+Na"	20.974666
"849034"	541.278266	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-2H+Na"	20.974666
"1620032"	541.278266	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Na-2H"	20.974666
"97532"	537.284663	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M-H+Cl"	33.962126
"537094"	797.436463	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M-H+Cl"	33.962126
"931706"	277.132863	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-H+Cl"	33.962126
"267708"	1075.576602	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+Cl"	34.969402
"660492"	1595.880202	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+Cl"	34.969402
"1273378"	555.273002	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Cl"	34.969402
"17040"	1077.555806	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M-2H+K"	36.948606
"459032"	1597.859406	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M-2H+K"	36.948606
"833915"	557.252206	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-2H+K"	36.948606
"1559955"	557.252206	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+K-2H"	36.948606
"946016"	565.301794	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-H+HCOOH"	44.998194
"361673"	1085.605401	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+HCOOH-H"	44.998201
"345879"	1099.621051	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+Hac-H"	59.013851
"1493419"	579.317451	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Hac-H"	59.013851
"958727"	587.283751	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-H+NaCOOH"	66.980151
"113760"	555.273002	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+2Cl"	69.938804
"552591"	815.424802	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+2Cl"	69.938804
"1023214"	295.121202	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2Cl"	69.938804
"1242103"	599.222485	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Br"	78.918885
"1304754"	601.278472	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Cl+HCOOH"	80.974872
"1326030"	623.260429	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Cl+NaCOOH"	102.956829
"913074"	633.289186	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M-H+CF3COOH"	112.985586
"1300364"	669.265864	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Cl+CF3COOH"	148.962264
"1377432"	485.290924	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H-2H2O"	-35.012676
"1386179"	503.3009	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H-H2O"	-17.0027
"291338"	1041.614476	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+H"	1.007276
"688132"	1561.918076	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+H"	1.007276
"1366882"	521.310876	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H"	1.007276
"140985"	521.310876	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+2H"	2.014552
"580345"	781.462676	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+2H"	2.014552
"1052181"	261.159076	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2H"	2.014552
"219973"	347.876342666667	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+3H"	3.021828
"659886"	521.310876	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+3H"	3.021828
"1178135"	174.441809333333	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+3H"	3.021828
"439866"	1058.641023	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+NH4"	18.033823
"800947"	1578.944623	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+NH4"	18.033823
"1696664"	538.337423	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+NH4"	18.033823
"344942"	529.8241495	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+H+NH4"	19.041099
"737850"	789.9759495	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+H+NH4"	19.041099
"1491426"	269.6723495	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H+NH4"	19.041099
"406944"	1063.596418	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+Na"	22.989218
"766849"	1583.900018	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+Na"	22.989218
"1612032"	543.292818	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Na"	22.989218
"324255"	532.301847	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+H+Na"	23.996494
"716677"	792.453647	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+H+Na"	23.996494
"1468310"	272.150047	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H+Na"	23.996494
"1063744"	181.769123333333	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2H+Na"	25.00377
"1268703"	553.337086	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+CH3OH+H"	33.033486
"385097"	1079.570358	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+K"	38.963158
"740990"	1599.873958	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+K"	38.963158
"1543406"	559.266758	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+K"	38.963158
"302039"	540.288817	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+H+K"	39.970434
"696646"	800.440617	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+H+K"	39.970434
"1447549"	280.137017	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H+K"	39.970434
"241257"	1082.641026	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+ACN+H"	42.033826
"1210925"	562.337426	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+ACN+H"	42.033826
"1194844"	281.672351	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+ACN+2H"	43.041102
"189988"	1085.57836	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+2Na-H"	44.97116
"628890"	1605.88196	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+2Na-H"	44.97116
"1131712"	565.27476	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2Na-H"	44.97116
"174890"	543.292818	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+2Na"	45.978436
"613715"	803.444618	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+2Na"	45.978436
"1117229"	283.141018	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2Na"	45.978436
"1400753"	189.096437333333	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H+2Na"	46.985712
"1431773"	567.316346	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H+HCOOH"	47.012746
"226580"	548.32584	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+3H2O+2H"	56.04448
"1512087"	581.36839	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+IsoProp+H"	61.06479
"416513"	551.279788	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+Na+K"	61.952376
"774229"	811.431588	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+Na+K"	61.952376
"1671654"	291.127988	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Na+K"	61.952376
"259265"	1104.622968	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+ACN+Na"	64.015768
"1235256"	584.319368	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+ACN+Na"	64.015768
"1724507"	584.342893	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+NH4+HCOOH"	64.039293
"1184038"	196.423751333333	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+3Na"	68.967654
"1655025"	589.298288	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Na+HCOOH"	68.994688
"165169"	1117.52624	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+2K-H"	76.91904
"603636"	1637.82984	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+2K-H"	76.91904
"1091427"	597.22264	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2K-H"	76.91904
"147149"	559.266758	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"2M+2K"	77.926316
"585614"	819.418558	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"3M+2K"	77.926316
"1070126"	299.114958	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2K"	77.926316
"1100325"	599.237192	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2K+H"	78.933592
"1336073"	599.324807	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+DMSO+H"	79.021207
"1010437"	603.363976	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2ACN+H"	83.060376
"1529653"	604.357608	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+IsoProp+Na+H"	84.054008
"999381"	302.185626	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+2ACN+2H"	84.067652
"1594977"	605.272228	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+K+HCOOH"	84.968628
"1418449"	635.303738	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+H+CF3COOH"	115.000138
"1152018"	322.698901	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+3ACN+2H"	125.094202
"1699382"	652.330285	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+NH4+CF3COOH"	132.026685
"1644884"	657.28568	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+Na+CF3COOH"	136.98208
"1577253"	673.25962	"C11300"	"Soraphen A"	"C29H44O8"	"520.3036"	"M+K+CF3COOH"	152.95602
"807618"	512.2682	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M"	0
"978963"	493.24981	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-H2O-H"	-19.01839
"68299"	340.504857333333	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M-3H"	-3.021828
"506765"	511.260924	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M-3H"	-3.021828
"883471"	169.748790666667	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-3H"	-3.021828
"2775"	511.260924	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M-2H"	-2.014552
"442700"	767.395024	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M-2H"	-2.014552
"827071"	255.126824	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-2H"	-2.014552
"87063"	1023.529124	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M-H"	-1.007276
"522247"	1535.797324	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M-H"	-1.007276
"896888"	511.260924	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-H"	-1.007276
"48466"	1040.555671	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M-2H+NH4"	16.019271
"488514"	1552.823871	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M-2H+NH4"	16.019271
"864735"	528.287471	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-2H+NH4"	16.019271
"32760"	1045.511066	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M-2H+Na"	20.974666
"471909"	1557.779266	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M-2H+Na"	20.974666
"849028"	533.242866	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-2H+Na"	20.974666
"1620140"	533.242866	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Na-2H"	20.974666
"94847"	529.249263	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M-H+Cl"	33.962126
"537205"	785.383363	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M-H+Cl"	33.962126
"929627"	273.115163	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-H+Cl"	33.962126
"267574"	1059.505802	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+Cl"	34.969402
"667535"	1571.774002	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+Cl"	34.969402
"1279210"	547.237602	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Cl"	34.969402
"22136"	1061.485006	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M-2H+K"	36.948606
"459142"	1573.753206	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M-2H+K"	36.948606
"836945"	549.216806	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-2H+K"	36.948606
"1557878"	549.216806	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+K-2H"	36.948606
"945030"	557.266394	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-H+HCOOH"	44.998194
"363973"	1069.534601	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+HCOOH-H"	44.998201
"347493"	1083.550251	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+Hac-H"	59.013851
"1496328"	571.282051	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Hac-H"	59.013851
"961318"	579.248351	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-H+NaCOOH"	66.980151
"112777"	547.237602	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+2Cl"	69.938804
"551002"	803.371702	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+2Cl"	69.938804
"1028798"	291.103502	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2Cl"	69.938804
"1243634"	591.187085	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Br"	78.918885
"1306085"	593.243072	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Cl+HCOOH"	80.974872
"1332700"	615.225029	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Cl+NaCOOH"	102.956829
"913187"	625.253786	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M-H+CF3COOH"	112.985586
"1302297"	661.230464	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Cl+CF3COOH"	148.962264
"1380822"	477.255524	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H-2H2O"	-35.012676
"1391758"	495.2655	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H-H2O"	-17.0027
"292541"	1025.543676	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+H"	1.007276
"688610"	1537.811876	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+H"	1.007276
"1363499"	513.275476	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H"	1.007276
"141013"	513.275476	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+2H"	2.014552
"579237"	769.409576	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+2H"	2.014552
"1052292"	257.141376	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2H"	2.014552
"219750"	342.519409333333	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+3H"	3.021828
"658414"	513.275476	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+3H"	3.021828
"1177920"	171.763342666667	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+3H"	3.021828
"439328"	1042.570223	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+NH4"	18.033823
"801332"	1554.838423	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+NH4"	18.033823
"1696044"	530.302023	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+NH4"	18.033823
"344323"	521.7887495	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+H+NH4"	19.041099
"737474"	777.9228495	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+H+NH4"	19.041099
"1489833"	265.6546495	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H+NH4"	19.041099
"406691"	1047.525618	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+Na"	22.989218
"764046"	1559.793818	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+Na"	22.989218
"1615422"	535.257418	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Na"	22.989218
"327645"	524.266447	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+H+Na"	23.996494
"717880"	780.400547	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+H+Na"	23.996494
"1474986"	268.132347	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H+Na"	23.996494
"1066770"	179.090656666667	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2H+Na"	25.00377
"1267725"	545.301686	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+CH3OH+H"	33.033486
"383020"	1063.499558	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+K"	38.963158
"743286"	1575.767758	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+K"	38.963158
"1544246"	551.231358	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+K"	38.963158
"301421"	532.253417	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+H+K"	39.970434
"696029"	788.387517	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+H+K"	39.970434
"1448390"	276.119317	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H+K"	39.970434
"238451"	1066.570226	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+ACN+H"	42.033826
"1211885"	554.302026	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+ACN+H"	42.033826
"1195281"	277.654651	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+ACN+2H"	43.041102
"190829"	1069.50756	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+2Na-H"	44.97116
"631481"	1581.77576	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+2Na-H"	44.97116
"1133164"	557.23936	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2Na-H"	44.97116
"176093"	535.257418	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+2Na"	45.978436
"621127"	791.391518	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+2Na"	45.978436
"1124633"	279.123318	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2Na"	45.978436
"1402688"	186.417970666667	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H+2Na"	46.985712
"1432980"	559.280946	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H+HCOOH"	47.012746
"229970"	540.29044	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+3H2O+2H"	56.04448
"1515846"	573.33299	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+IsoProp+H"	61.06479
"414438"	543.244388	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+Na+K"	61.952376
"777623"	799.378488	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+Na+K"	61.952376
"1673950"	287.110288	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Na+K"	61.952376
"259377"	1088.552168	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+ACN+Na"	64.015768
"1235365"	576.283968	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+ACN+Na"	64.015768
"1723890"	576.307493	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+NH4+HCOOH"	64.039293
"1179159"	193.745284666667	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+3Na"	68.967654
"1650755"	581.262888	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Na+HCOOH"	68.994688
"161999"	1101.45544	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+2K-H"	76.91904
"602652"	1613.72364	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+2K-H"	76.91904
"1090444"	589.18724	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2K-H"	76.91904
"145073"	551.231358	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"2M+2K"	77.926316
"584632"	807.365458	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"3M+2K"	77.926316
"1071333"	295.097258	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2K"	77.926316
"1102354"	591.201792	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2K+H"	78.933592
"1336419"	591.289407	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+DMSO+H"	79.021207
"1005841"	595.328576	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2ACN+H"	83.060376
"1526847"	596.322208	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+IsoProp+Na+H"	84.054008
"995117"	298.167926	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+2ACN+2H"	84.067652
"1589985"	597.236828	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+K+HCOOH"	84.968628
"1415522"	627.268338	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+H+CF3COOH"	115.000138
"1154315"	318.681201	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+3ACN+2H"	125.094202
"1698767"	644.294885	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+NH4+CF3COOH"	132.026685
"1646083"	649.25028	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+Na+CF3COOH"	136.98208
"1577363"	665.22422	"C11301"	"Sulfoglycolithocholate;Glycolithocholate 3-sulfate;Sulfolithocholylglycine"	"C26H42NO7S"	"512.2682"	"M+K+CF3COOH"	152.95602
"807730"	419.209	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M"	0
"977982"	400.19061	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-H2O-H"	-19.01839
"67317"	278.465390666667	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M-3H"	-3.021828
"505783"	418.201724	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M-3H"	-3.021828
"881762"	138.729057333333	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-3H"	-3.021828
"12004"	418.201724	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M-2H"	-2.014552
"450480"	627.806224	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M-2H"	-2.014552
"826090"	208.597224	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-2H"	-2.014552
"87173"	837.410724	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M-H"	-1.007276
"522358"	1256.619724	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M-H"	-1.007276
"902348"	418.201724	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-H"	-1.007276
"48336"	854.437271	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M-2H+NH4"	16.019271
"494097"	1273.646271	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M-2H+NH4"	16.019271
"867524"	435.228271	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-2H+NH4"	16.019271
"40894"	859.392666	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M-2H+Na"	20.974666
"472796"	1278.601666	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M-2H+Na"	20.974666
"853883"	440.183666	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-2H+Na"	20.974666
"1621228"	440.183666	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Na-2H"	20.974666
"101038"	436.190063	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M-H+Cl"	33.962126
"543882"	645.794563	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M-H+Cl"	33.962126
"935212"	226.585563	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-H+Cl"	33.962126
"271217"	873.387402	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+Cl"	34.969402
"668380"	1292.596402	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+Cl"	34.969402
"1278596"	454.178402	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Cl"	34.969402
"22246"	875.366606	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M-2H+K"	36.948606
"461076"	1294.575606	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M-2H+K"	36.948606
"836322"	456.157606	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-2H+K"	36.948606
"1558719"	456.157606	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+K-2H"	36.948606
"945140"	464.207194	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-H+HCOOH"	44.998194
"365915"	883.416201	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+HCOOH-H"	44.998201
"349798"	897.431851	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+Hac-H"	59.013851
"1493890"	478.222851	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Hac-H"	59.013851
"962896"	486.189151	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-H+NaCOOH"	66.980151
"111800"	454.178402	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+2Cl"	69.938804
"554643"	663.782902	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+2Cl"	69.938804
"1023077"	244.573902	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2Cl"	69.938804
"1243387"	498.127885	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Br"	78.918885
"1305105"	500.183872	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Cl+HCOOH"	80.974872
"1333547"	522.165829	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Cl+NaCOOH"	102.956829
"922420"	532.194586	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M-H+CF3COOH"	112.985586
"1292565"	568.171264	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Cl+CF3COOH"	148.962264
"1375470"	384.196324	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H-2H2O"	-35.012676
"1387498"	402.2063	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H-H2O"	-17.0027
"295206"	839.425276	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+H"	1.007276
"687991"	1258.634276	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+H"	1.007276
"1366169"	420.216276	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H"	1.007276
"140150"	420.216276	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+2H"	2.014552
"580443"	629.820776	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+2H"	2.014552
"1052158"	210.611776	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2H"	2.014552
"219848"	280.479942666667	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+3H"	3.021828
"659940"	420.216276	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+3H"	3.021828
"1178397"	140.743609333333	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+3H"	3.021828
"439681"	856.451823	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+NH4"	18.033823
"800674"	1275.660823	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+NH4"	18.033823
"1696884"	437.242823	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+NH4"	18.033823
"345685"	428.7295495	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+H+NH4"	19.041099
"737825"	638.3340495	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+H+NH4"	19.041099
"1492646"	219.1250495	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H+NH4"	19.041099
"407162"	861.407218	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+Na"	22.989218
"767797"	1280.616218	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+Na"	22.989218
"1612251"	442.198218	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Na"	22.989218
"328488"	431.207247	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+H+Na"	23.996494
"713619"	640.811747	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+H+Na"	23.996494
"1470724"	221.602747	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H+Na"	23.996494
"1058503"	148.070923333333	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2H+Na"	25.00377
"1262732"	452.242486	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+CH3OH+H"	33.033486
"380941"	877.381158	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+K"	38.963158
"740843"	1296.590158	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+K"	38.963158
"1541798"	458.172158	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+K"	38.963158
"304446"	439.194217	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+H+K"	39.970434
"697233"	648.798717	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+H+K"	39.970434
"1449595"	229.589717	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H+K"	39.970434
"239289"	880.451826	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+ACN+H"	42.033826
"1214555"	461.242826	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+ACN+H"	42.033826
"1196613"	231.125051	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+ACN+2H"	43.041102
"190938"	883.38916	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+2Na-H"	44.97116
"634879"	1302.59816	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+2Na-H"	44.97116
"1140939"	464.18016	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2Na-H"	44.97116
"182773"	442.198218	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+2Na"	45.978436
"626342"	651.802718	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+2Na"	45.978436
"1128024"	232.593718	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2Na"	45.978436
"1409363"	155.398237333333	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H+2Na"	46.985712
"1442577"	466.221746	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H+HCOOH"	47.012746
"233001"	447.23124	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+3H2O+2H"	56.04448
"1517784"	480.27379	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+IsoProp+H"	61.06479
"418200"	450.185188	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+Na+K"	61.952376
"783199"	659.789688	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+Na+K"	61.952376
"1672967"	240.580688	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Na+K"	61.952376
"261679"	902.433768	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+ACN+Na"	64.015768
"1232201"	483.224768	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+ACN+Na"	64.015768
"1716715"	483.248293	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+NH4+HCOOH"	64.039293
"1185354"	162.725551333333	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+3Na"	68.967654
"1658526"	488.203688	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Na+HCOOH"	68.994688
"162106"	915.33704	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+2K-H"	76.91904
"604948"	1334.54604	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+2K-H"	76.91904
"1090553"	496.12804	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2K-H"	76.91904
"146276"	458.172158	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"2M+2K"	77.926316
"588024"	667.776658	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"3M+2K"	77.926316
"1073630"	248.567658	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2K"	77.926316
"1105744"	498.142592	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2K+H"	78.933592
"1335922"	498.230207	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+DMSO+H"	79.021207
"1005826"	502.269376	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2ACN+H"	83.060376
"1524482"	503.263008	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+IsoProp+Na+H"	84.054008
"990404"	251.638326	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+2ACN+2H"	84.067652
"1587541"	504.177628	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+K+HCOOH"	84.968628
"1415392"	534.209138	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+H+CF3COOH"	115.000138
"1154432"	272.151601	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+3ACN+2H"	125.094202
"1702889"	551.235685	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+NH4+CF3COOH"	132.026685
"1645104"	556.19108	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+Na+CF3COOH"	136.98208
"1577473"	572.16502	"C11302"	"S-Octyl GSH;S-Octyl glutathione"	"C18H33N3O6S"	"419.209"	"M+K+CF3COOH"	152.95602
"807838"	447.2403	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M"	0
"979185"	428.22191	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-H2O-H"	-19.01839
"68520"	297.152924	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M-3H"	-3.021828
"505164"	446.233024	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M-3H"	-3.021828
"881508"	148.072824	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-3H"	-3.021828
"11021"	446.233024	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M-2H"	-2.014552
"451683"	669.853174	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M-2H"	-2.014552
"828387"	222.612874	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-2H"	-2.014552
"86190"	893.473324	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M-H"	-1.007276
"522468"	1340.713624	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M-H"	-1.007276
"902458"	446.233024	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-H"	-1.007276
"47716"	910.499871	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M-2H+NH4"	16.019271
"494207"	1357.740171	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M-2H+NH4"	16.019271
"866541"	463.259571	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-2H+NH4"	16.019271
"41004"	915.455266	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M-2H+Na"	20.974666
"474002"	1362.695566	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M-2H+Na"	20.974666
"848519"	468.214966	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-2H+Na"	20.974666
"1618568"	468.214966	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Na-2H"	20.974666
"100055"	464.221363	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M-H+Cl"	33.962126
"543992"	687.841513	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M-H+Cl"	33.962126
"935322"	240.601213	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-H+Cl"	33.962126
"272422"	929.450002	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+Cl"	34.969402
"668490"	1376.690302	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+Cl"	34.969402
"1278706"	482.209702	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Cl"	34.969402
"22356"	931.429206	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M-2H+K"	36.948606
"460822"	1378.669506	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M-2H+K"	36.948606
"835341"	484.188906	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-2H+K"	36.948606
"1557735"	484.188906	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+K-2H"	36.948606
"944887"	492.238494	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-H+HCOOH"	44.998194
"362497"	939.478801	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+HCOOH-H"	44.998201
"346984"	953.494451	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+Hac-H"	59.013851
"1492842"	506.254151	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Hac-H"	59.013851
"963006"	514.220451	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-H+NaCOOH"	66.980151
"111182"	482.209702	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+2Cl"	69.938804
"558034"	705.829852	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+2Cl"	69.938804
"1024647"	258.589552	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2Cl"	69.938804
"1241510"	526.159185	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Br"	78.918885
"1304764"	528.215172	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Cl+HCOOH"	80.974872
"1333657"	550.197129	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Cl+NaCOOH"	102.956829
"921801"	560.225886	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M-H+CF3COOH"	112.985586
"1289393"	596.202564	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Cl+CF3COOH"	148.962264
"1376673"	412.227624	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H-2H2O"	-35.012676
"1387609"	430.2376	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H-H2O"	-17.0027
"292762"	895.487876	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+H"	1.007276
"687737"	1342.728176	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+H"	1.007276
"1365187"	448.247576	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H"	1.007276
"139170"	448.247576	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+2H"	2.014552
"579460"	671.867726	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+2H"	2.014552
"1051175"	224.627426	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2H"	2.014552
"219318"	299.167476	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+3H"	3.021828
"656081"	448.247576	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+3H"	3.021828
"1175299"	150.087376	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+3H"	3.021828
"438209"	912.514423	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+NH4"	18.033823
"800541"	1359.754723	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+NH4"	18.033823
"1696022"	465.274123	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+NH4"	18.033823
"345271"	456.7608495	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+H+NH4"	19.041099
"736839"	680.3809995	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+H+NH4"	19.041099
"1486770"	233.1406995	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H+NH4"	19.041099
"405813"	917.469818	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+Na"	22.989218
"766450"	1364.710118	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+Na"	22.989218
"1609080"	470.229518	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Na"	22.989218
"325682"	459.238547	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+H+Na"	23.996494
"713729"	682.858697	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+H+Na"	23.996494
"1471927"	235.618397	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H+Na"	23.996494
"1061892"	157.41469	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2H+Na"	25.00377
"1263571"	480.273786	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+CH3OH+H"	33.033486
"381051"	933.443758	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+K"	38.963158
"741317"	1380.684058	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+K"	38.963158
"1540449"	486.203458	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+K"	38.963158
"304556"	467.225517	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+H+K"	39.970434
"698073"	690.845667	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+H+K"	39.970434
"1450798"	243.605367	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H+K"	39.970434
"239399"	936.514426	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+ACN+H"	42.033826
"1217580"	489.274126	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+ACN+H"	42.033826
"1197088"	245.140701	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+ACN+2H"	43.041102
"190685"	939.45176	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+2Na-H"	44.97116
"634989"	1386.69206	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+2Na-H"	44.97116
"1143965"	492.21146	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2Na-H"	44.97116
"183976"	470.229518	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+2Na"	45.978436
"622443"	693.849668	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+2Na"	45.978436
"1125947"	246.609368	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2Na"	45.978436
"1410566"	164.742004	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H+2Na"	46.985712
"1441957"	494.253046	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H+HCOOH"	47.012746
"234202"	475.26254	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+3H2O+2H"	56.04448
"1517165"	508.30509	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+IsoProp+H"	61.06479
"420859"	478.216488	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+Na+K"	61.952376
"782216"	701.836638	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+Na+K"	61.952376
"1673077"	254.596338	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Na+K"	61.952376
"260695"	958.496368	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+ACN+Na"	64.015768
"1232311"	511.256068	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+ACN+Na"	64.015768
"1717190"	511.279593	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+NH4+HCOOH"	64.039293
"1184370"	172.069318	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+3Na"	68.967654
"1653167"	516.234988	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Na+HCOOH"	68.994688
"163309"	971.39964	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+2K-H"	76.91904
"602869"	1418.63994	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+2K-H"	76.91904
"1090662"	524.15934	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2K-H"	76.91904
"142375"	486.203458	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"2M+2K"	77.926316
"583152"	709.823608	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"3M+2K"	77.926316
"1070823"	262.583308	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2K"	77.926316
"1101236"	526.173892	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2K+H"	78.933592
"1335667"	526.261507	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+DMSO+H"	79.021207
"1005813"	530.300676	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2ACN+H"	83.060376
"1524194"	531.294308	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+IsoProp+Na+H"	84.054008
"990031"	265.653976	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+2ACN+2H"	84.067652
"1587064"	532.208928	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+K+HCOOH"	84.968628
"1415867"	562.240438	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+H+CF3COOH"	115.000138
"1154542"	286.167251	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+3ACN+2H"	125.094202
"1702999"	579.266985	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+NH4+CF3COOH"	132.026685
"1645214"	584.22238	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+Na+CF3COOH"	136.98208
"1577583"	600.19632	"C11303"	"S-Decyl GSH;S-Decyl glutathione"	"C20H37N3O6S"	"447.2403"	"M+K+CF3COOH"	152.95602
"811228"	643.3139	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M"	0
"988044"	624.29551	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-H2O-H"	-19.01839
"74099"	427.868657333333	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M-3H"	-3.021828
"516940"	642.306624	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M-3H"	-3.021828
"889274"	213.430690666667	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-3H"	-3.021828
"10038"	642.306624	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M-2H"	-2.014552
"450698"	963.963574	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M-2H"	-2.014552
"828498"	320.649674	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-2H"	-2.014552
"85209"	1285.620524	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M-H"	-1.007276
"530237"	1928.934424	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M-H"	-1.007276
"905850"	642.306624	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-H"	-1.007276
"58038"	1302.647071	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M-2H+NH4"	16.019271
"499787"	1945.960971	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M-2H+NH4"	16.019271
"875400"	659.333171	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-2H+NH4"	16.019271
"42208"	1307.602466	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M-2H+Na"	20.974666
"477394"	1950.916366	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M-2H+Na"	20.974666
"848560"	664.288566	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-2H+Na"	20.974666
"1620355"	664.288566	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Na-2H"	20.974666
"95787"	660.294963	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M-H+Cl"	33.962126
"544831"	981.951913	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M-H+Cl"	33.962126
"929960"	338.638013	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-H+Cl"	33.962126
"271805"	1321.597202	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+Cl"	34.969402
"668600"	1964.911102	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+Cl"	34.969402
"1278818"	678.283302	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Cl"	34.969402
"22467"	1323.576406	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M-2H+K"	36.948606
"460932"	1966.890306	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M-2H+K"	36.948606
"837642"	680.262506	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-2H+K"	36.948606
"1568782"	680.262506	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+K-2H"	36.948606
"949009"	688.312094	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-H+HCOOH"	44.998194
"362125"	1331.626001	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+HCOOH-H"	44.998201
"346737"	1345.641651	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+Hac-H"	59.013851
"1494477"	702.327751	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Hac-H"	59.013851
"965302"	710.294051	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-H+NaCOOH"	66.980151
"110212"	678.283302	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+2Cl"	69.938804
"554864"	999.940252	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+2Cl"	69.938804
"1022564"	356.626352	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2Cl"	69.938804
"1241821"	722.232785	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Br"	78.918885
"1307877"	724.288772	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Cl+HCOOH"	80.974872
"1333038"	746.270729	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Cl+NaCOOH"	102.956829
"923004"	756.299486	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M-H+CF3COOH"	112.985586
"1290968"	792.276164	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Cl+CF3COOH"	148.962264
"1375689"	608.301224	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H-2H2O"	-35.012676
"1390999"	626.3112	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H-H2O"	-17.0027
"293968"	1287.635076	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+H"	1.007276
"689309"	1930.948976	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+H"	1.007276
"1364932"	644.321176	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H"	1.007276
"137458"	644.321176	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+2H"	2.014552
"579692"	965.978126	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+2H"	2.014552
"1049825"	322.664226	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2H"	2.014552
"215902"	429.883209333333	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+3H"	3.021828
"655099"	644.321176	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+3H"	3.021828
"1173223"	215.445242666667	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+3H"	3.021828
"430662"	1304.661623	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+NH4"	18.033823
"799919"	1947.975523	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+NH4"	18.033823
"1692360"	661.347723	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+NH4"	18.033823
"338452"	652.8344495	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+H+NH4"	19.041099
"735246"	974.4913995	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+H+NH4"	19.041099
"1487971"	331.1774995	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H+NH4"	19.041099
"404467"	1309.617018	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+Na"	22.989218
"766556"	1952.930918	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+Na"	22.989218
"1608096"	666.303118	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Na"	22.989218
"321415"	655.312147	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+H+Na"	23.996494
"713835"	976.969097	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+H+Na"	23.996494
"1468750"	333.655197	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H+Na"	23.996494
"1062727"	222.772556666667	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2H+Na"	25.00377
"1263679"	676.347386	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+CH3OH+H"	33.033486
"383349"	1325.590958	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+K"	38.963158
"749812"	1968.904858	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+K"	38.963158
"1547490"	682.277058	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+K"	38.963158
"309041"	663.299117	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+H+K"	39.970434
"698184"	984.956067	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+H+K"	39.970434
"1450910"	341.642167	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H+K"	39.970434
"238420"	1328.661626	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+ACN+H"	42.033826
"1212224"	685.347726	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+ACN+H"	42.033826
"1198294"	343.177501	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+ACN+2H"	43.041102
"191164"	1331.59896	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+2Na-H"	44.97116
"632910"	1974.91286	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+2Na-H"	44.97116
"1141889"	688.28506	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2Na-H"	44.97116
"183722"	666.303118	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+2Na"	45.978436
"621459"	987.960068	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+2Na"	45.978436
"1126058"	344.646168	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2Na"	45.978436
"1409581"	230.099870666667	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H+2Na"	46.985712
"1438423"	690.326646	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H+HCOOH"	47.012746
"228118"	671.33614	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+3H2O+2H"	56.04448
"1513993"	704.37869	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+IsoProp+H"	61.06479
"415866"	674.290088	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+Na+K"	61.952376
"779777"	995.947038	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+Na+K"	61.952376
"1673194"	352.633138	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Na+K"	61.952376
"258621"	1350.643568	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+ACN+Na"	64.015768
"1232422"	707.329668	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+ACN+Na"	64.015768
"1715475"	707.353193	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+NH4+HCOOH"	64.039293
"1181926"	237.427184666667	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+3Na"	68.967654
"1655831"	712.308588	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Na+HCOOH"	68.994688
"162327"	1363.54684	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+2K-H"	76.91904
"602250"	2006.86074	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+2K-H"	76.91904
"1091137"	720.23294	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2K-H"	76.91904
"142851"	682.277058	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"2M+2K"	77.926316
"581463"	1003.934008	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"3M+2K"	77.926316
"1068622"	360.620108	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2K"	77.926316
"1103778"	722.247492	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2K+H"	78.933592
"1335822"	722.335107	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+DMSO+H"	79.021207
"1005661"	726.374276	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2ACN+H"	83.060376
"1524627"	727.367908	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+IsoProp+Na+H"	84.054008
"990709"	363.690776	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+2ACN+2H"	84.067652
"1587885"	728.282528	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+K+HCOOH"	84.968628
"1421085"	758.314038	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+H+CF3COOH"	115.000138
"1154654"	384.204051	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+3ACN+2H"	125.094202
"1705298"	775.340585	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+NH4+CF3COOH"	132.026685
"1645324"	780.29598	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+Na+CF3COOH"	136.98208
"1577693"	796.26992	"C11304"	"S-(PGA1)-glutathione"	"C30H49N3O10S"	"643.3139"	"M+K+CF3COOH"	152.95602
"808058"	334.0985	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M"	0
"981590"	315.08011	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-H2O-H"	-19.01839
"70929"	221.725057333333	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M-3H"	-3.021828
"515957"	333.091224	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M-3H"	-3.021828
"888291"	110.358890666667	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-3H"	-3.021828
"11241"	333.091224	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M-2H"	-2.014552
"450806"	500.140474	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M-2H"	-2.014552
"830794"	166.041974	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-2H"	-2.014552
"86412"	667.189724	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M-H"	-1.007276
"530347"	1001.288224	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M-H"	-1.007276
"905960"	333.091224	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-H"	-1.007276
"57055"	684.216271	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M-2H+NH4"	16.019271
"498804"	1018.314771	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M-2H+NH4"	16.019271
"873324"	350.117771	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-2H+NH4"	16.019271
"39038"	689.171666	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M-2H+Na"	20.974666
"477504"	1023.270166	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M-2H+Na"	20.974666
"849061"	355.073166	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-2H+Na"	20.974666
"1620465"	355.073166	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Na-2H"	20.974666
"94678"	351.079563	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M-H+Cl"	33.962126
"545305"	518.128813	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M-H+Cl"	33.962126
"929342"	184.030313	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-H+Cl"	33.962126
"274102"	703.166402	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+Cl"	34.969402
"671989"	1037.264902	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+Cl"	34.969402
"1282206"	369.067902	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Cl"	34.969402
"22577"	705.145606	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M-2H+K"	36.948606
"462135"	1039.244106	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M-2H+K"	36.948606
"841032"	371.047106	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-2H+K"	36.948606
"1568528"	371.047106	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+K-2H"	36.948606
"949119"	379.096694	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-H+HCOOH"	44.998194
"363328"	713.195201	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+HCOOH-H"	44.998201
"351219"	727.210851	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+Hac-H"	59.013851
"1494587"	393.112351	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Hac-H"	59.013851
"961038"	401.078651	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-H+NaCOOH"	66.980151
"112134"	369.067902	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+2Cl"	69.938804
"557161"	536.117152	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+2Cl"	69.938804
"1023045"	202.018652	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2Cl"	69.938804
"1242624"	413.017385	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Br"	78.918885
"1309081"	415.073372	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Cl+HCOOH"	80.974872
"1333147"	437.055329	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Cl+NaCOOH"	102.956829
"924207"	447.084086	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M-H+CF3COOH"	112.985586
"1292172"	483.060764	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Cl+CF3COOH"	148.962264
"1379079"	299.085824	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H-2H2O"	-35.012676
"1396213"	317.0958	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H-H2O"	-17.0027
"294078"	669.204276	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+H"	1.007276
"688688"	1003.302776	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+H"	1.007276
"1365040"	335.105776	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H"	1.007276
"135378"	335.105776	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+2H"	2.014552
"577488"	502.155026	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+2H"	2.014552
"1045194"	168.056526	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2H"	2.014552
"209814"	223.739609333333	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+3H"	3.021828
"651561"	335.105776	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+3H"	3.021828
"1171873"	112.373442666667	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+3H"	3.021828
"439155"	686.230823	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+NH4"	18.033823
"800761"	1020.329323	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+NH4"	18.033823
"1693564"	352.132323	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+NH4"	18.033823
"344028"	343.6190495	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+H+NH4"	19.041099
"732077"	510.6682995	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+H+NH4"	19.041099
"1483709"	176.5697995	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H+NH4"	19.041099
"403484"	691.186218	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+Na"	22.989218
"765574"	1025.284718	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+Na"	22.989218
"1607113"	357.087718	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Na"	22.989218
"323712"	346.096747	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+H+Na"	23.996494
"711757"	513.145997	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+H+Na"	23.996494
"1472139"	179.047497	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H+Na"	23.996494
"1063931"	119.700756666667	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2H+Na"	25.00377
"1264882"	367.131986	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+CH3OH+H"	33.033486
"382366"	707.160158	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+K"	38.963158
"746642"	1041.258658	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+K"	38.963158
"1546507"	373.061658	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+K"	38.963158
"301495"	354.083717	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+H+K"	39.970434
"697199"	521.132967	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+H+K"	39.970434
"1449925"	187.034467	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H+K"	39.970434
"237436"	710.230826	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+ACN+H"	42.033826
"1212334"	376.132326	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+ACN+H"	42.033826
"1198404"	188.569801	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+ACN+2H"	43.041102
"191274"	713.16816	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+2Na-H"	44.97116
"631196"	1047.26666	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+2Na-H"	44.97116
"1138719"	379.06966	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2Na-H"	44.97116
"180916"	357.087718	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+2Na"	45.978436
"619383"	524.136968	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+2Na"	45.978436
"1122888"	190.038468	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2Na"	45.978436
"1409691"	127.028070666667	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H+2Na"	46.985712
"1440720"	381.111246	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H+HCOOH"	47.012746
"230415"	362.12074	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+3H2O+2H"	56.04448
"1514104"	395.16329	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+IsoProp+H"	61.06479
"419257"	365.074688	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+Na+K"	61.952376
"780251"	532.123938	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+Na+K"	61.952376
"1678041"	198.025438	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Na+K"	61.952376
"258731"	732.212768	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+ACN+Na"	64.015768
"1233624"	398.114268	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+ACN+Na"	64.015768
"1714493"	398.137793	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+NH4+HCOOH"	64.039293
"1183497"	134.355384666667	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+3Na"	68.967654
"1656670"	403.093188	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Na+HCOOH"	68.994688
"165717"	745.11604	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+2K-H"	76.91904
"607465"	1079.21454	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+2K-H"	76.91904
"1090884"	411.01754	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2K-H"	76.91904
"142961"	373.061658	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"2M+2K"	77.926316
"582520"	540.110908	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"3M+2K"	77.926316
"1069949"	206.012408	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2K"	77.926316
"1100729"	413.032092	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2K+H"	78.933592
"1336498"	413.119707	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+DMSO+H"	79.021207
"1006362"	417.158876	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2ACN+H"	83.060376
"1524524"	418.152508	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+IsoProp+Na+H"	84.054008
"990821"	209.083076	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+2ACN+2H"	84.067652
"1589334"	419.067128	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+K+HCOOH"	84.968628
"1424475"	449.098638	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+H+CF3COOH"	115.000138
"1158044"	229.596351	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+3ACN+2H"	125.094202
"1705408"	466.125185	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+NH4+CF3COOH"	132.026685
"1645434"	471.08058	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+Na+CF3COOH"	136.98208
"1577803"	487.05452	"C11305"	"Triphenyltetrazolium chloride;235-Triphenyltetrazolium chloride"	"C19H15N4Cl"	"334.0985"	"M+K+CF3COOH"	152.95602
"808168"	383.2784	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M"	0
"981700"	364.26001	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-H2O-H"	-19.01839
"74321"	254.511657333333	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M-3H"	-3.021828
"512789"	382.271124	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M-3H"	-3.021828
"884028"	126.752190666667	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-3H"	-3.021828
"9165"	382.271124	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M-2H"	-2.014552
"453105"	573.910324	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M-2H"	-2.014552
"829813"	190.631924	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-2H"	-2.014552
"89804"	765.549524	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M-H"	-1.007276
"530457"	1148.827924	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M-H"	-1.007276
"904979"	382.271124	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-H"	-1.007276
"52792"	782.576071	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M-2H+NH4"	16.019271
"500009"	1165.854471	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M-2H+NH4"	16.019271
"870155"	399.297671	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-2H+NH4"	16.019271
"43523"	787.531466	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M-2H+Na"	20.974666
"477616"	1170.809866	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M-2H+Na"	20.974666
"852136"	404.253066	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-2H+Na"	20.974666
"1620696"	404.253066	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Na-2H"	20.974666
"96373"	400.259463	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M-H+Cl"	33.962126
"541041"	591.898663	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M-H+Cl"	33.962126
"929088"	208.620263	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-H+Cl"	33.962126
"278586"	801.526202	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+Cl"	34.969402
"672100"	1184.804602	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+Cl"	34.969402
"1282316"	418.247802	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Cl"	34.969402
"25965"	803.505406	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M-2H+K"	36.948606
"465524"	1186.783806	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M-2H+K"	36.948606
"841141"	420.227006	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-2H+K"	36.948606
"1567543"	420.227006	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+K-2H"	36.948606
"948134"	428.276594	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-H+HCOOH"	44.998194
"366350"	811.555001	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+HCOOH-H"	44.998201
"353518"	825.570651	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+Hac-H"	59.013851
"1494697"	442.292251	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Hac-H"	59.013851
"964428"	450.258551	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-H+NaCOOH"	66.980151
"115525"	418.247802	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+2Cl"	69.938804
"553991"	609.887002	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+2Cl"	69.938804
"1029351"	226.608602	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2Cl"	69.938804
"1246741"	462.197285	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Br"	78.918885
"1314658"	464.253272	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Cl+HCOOH"	80.974872
"1334716"	486.235229	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Cl+NaCOOH"	102.956829
"925413"	496.263986	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M-H+CF3COOH"	112.985586
"1296656"	532.240664	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Cl+CF3COOH"	148.962264
"1379189"	348.265724	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H-2H2O"	-35.012676
"1397055"	366.2757	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H-H2O"	-17.0027
"296741"	767.564076	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+H"	1.007276
"690256"	1150.842476	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+H"	1.007276
"1365517"	384.285676	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H"	1.007276
"131478"	384.285676	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+2H"	2.014552
"572132"	575.924876	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+2H"	2.014552
"1045305"	192.646476	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2H"	2.014552
"212111"	256.526209333333	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+3H"	3.021828
"656046"	384.285676	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+3H"	3.021828
"1171984"	128.766742666667	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+3H"	3.021828
"431975"	784.590623	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+NH4"	18.033823
"799166"	1167.869023	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+NH4"	18.033823
"1694768"	401.312223	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+NH4"	18.033823
"344990"	392.7989495	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+H+NH4"	19.041099
"733281"	584.4381495	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+H+NH4"	19.041099
"1489287"	201.1597495	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H+NH4"	19.041099
"403594"	789.546018	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+Na"	22.989218
"769089"	1172.824418	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+Na"	22.989218
"1609410"	406.267618	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Na"	22.989218
"323823"	395.276647	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+H+Na"	23.996494
"717336"	586.915847	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+H+Na"	23.996494
"1474436"	203.637447	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H+Na"	23.996494
"1063310"	136.094056666667	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2H+Na"	25.00377
"1262806"	416.311886	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+CH3OH+H"	33.033486
"379559"	805.519958	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+K"	38.963158
"743469"	1188.798358	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+K"	38.963158
"1549898"	422.241558	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+K"	38.963158
"301605"	403.263617	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+H+K"	39.970434
"696218"	594.902817	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+H+K"	39.970434
"1451131"	211.624417	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H+K"	39.970434
"237910"	808.590626	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+ACN+H"	42.033826
"1213903"	425.312226	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+ACN+H"	42.033826
"1196691"	213.159751	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+ACN+2H"	43.041102
"191748"	811.52796	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+2Na-H"	44.97116
"631304"	1194.80636	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+2Na-H"	44.97116
"1137735"	428.24956	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2Na-H"	44.97116
"181027"	406.267618	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+2Na"	45.978436
"625933"	597.906818	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+2Na"	45.978436
"1122998"	214.628418	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2Na"	45.978436
"1409801"	143.421370666667	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H+2Na"	46.985712
"1434268"	430.291146	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H+HCOOH"	47.012746
"227244"	411.30064	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+3H2O+2H"	56.04448
"1516402"	444.34319	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+IsoProp+H"	61.06479
"418275"	414.254588	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+Na+K"	61.952376
"779271"	605.893788	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+Na+K"	61.952376
"1676693"	222.615388	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Na+K"	61.952376
"259933"	830.572568	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+ACN+Na"	64.015768
"1233735"	447.294168	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+ACN+Na"	64.015768
"1713017"	447.317693	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+NH4+HCOOH"	64.039293
"1181419"	150.748684666667	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+3Na"	68.967654
"1653501"	452.273088	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Na+HCOOH"	68.994688
"160360"	843.47584	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+2K-H"	76.91904
"598219"	1226.75424	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+2K-H"	76.91904
"1087714"	460.19744	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2K-H"	76.91904
"142139"	422.241558	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"2M+2K"	77.926316
"581433"	613.880758	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"3M+2K"	77.926316
"1070789"	230.602358	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2K"	77.926316
"1102905"	462.211992	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2K+H"	78.933592
"1339287"	462.299607	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+DMSO+H"	79.021207
"1006234"	466.338776	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2ACN+H"	83.060376
"1524269"	467.332408	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+IsoProp+Na+H"	84.054008
"990566"	233.673026	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+2ACN+2H"	84.067652
"1588470"	468.247028	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+K+HCOOH"	84.968628
"1425678"	498.278538	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+H+CF3COOH"	115.000138
"1161071"	254.186301	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+3ACN+2H"	125.094202
"1705518"	515.305085	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+NH4+CF3COOH"	132.026685
"1645544"	520.26048	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+Na+CF3COOH"	136.98208
"1577913"	536.23442	"C11306"	"Acetylleucyl-leucyl-norleucinal"	"C20H37N3O4"	"383.2784"	"M+K+CF3COOH"	152.95602
"808278"	357.2798	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M"	0
"981810"	338.26141	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-H2O-H"	-19.01839
"64584"	237.179257333333	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M-3H"	-3.021828
"515085"	356.272524	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M-3H"	-3.021828
"885231"	118.085990666667	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-3H"	-3.021828
"11461"	356.272524	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M-2H"	-2.014552
"452120"	534.912424	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M-2H"	-2.014552
"829922"	177.632624	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-2H"	-2.014552
"91007"	713.552324	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M-H"	-1.007276
"531660"	1070.832124	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M-H"	-1.007276
"906181"	356.272524	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-H"	-1.007276
"53995"	730.578871	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M-2H+NH4"	16.019271
"501457"	1087.858671	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M-2H+NH4"	16.019271
"872451"	373.299071	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-2H+NH4"	16.019271
"41446"	735.534266	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M-2H+Na"	20.974666
"478819"	1092.814066	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M-2H+Na"	20.974666
"853339"	378.254466	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-2H+Na"	20.974666
"1619102"	378.254466	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Na-2H"	20.974666
"97576"	374.260863	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M-H+Cl"	33.962126
"541151"	552.900763	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M-H+Cl"	33.962126
"929562"	195.620963	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-H+Cl"	33.962126
"278696"	749.529002	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+Cl"	34.969402
"672210"	1106.808802	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+Cl"	34.969402
"1283519"	392.249202	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Cl"	34.969402
"27168"	751.508206	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M-2H+K"	36.948606
"468914"	1108.788006	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M-2H+K"	36.948606
"839061"	394.228406	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-2H+K"	36.948606
"1562548"	394.228406	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+K-2H"	36.948606
"947149"	402.277994	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-H+HCOOH"	44.998194
"366460"	759.557801	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+HCOOH-H"	44.998201
"349612"	773.573451	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+Hac-H"	59.013851
"1498086"	416.293651	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Hac-H"	59.013851
"961617"	424.259951	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-H+NaCOOH"	66.980151
"114540"	392.249202	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+2Cl"	69.938804
"553007"	570.889102	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+2Cl"	69.938804
"1029461"	213.609302	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2Cl"	69.938804
"1246850"	436.198685	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Br"	78.918885
"1314768"	438.254672	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Cl+HCOOH"	80.974872
"1334465"	460.236629	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Cl+NaCOOH"	102.956829
"924424"	470.265386	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M-H+CF3COOH"	112.985586
"1298952"	506.242064	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Cl+CF3COOH"	148.962264
"1380392"	322.267124	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H-2H2O"	-35.012676
"1397163"	340.2771	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H-H2O"	-17.0027
"298314"	715.566876	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+H"	1.007276
"690367"	1072.846676	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+H"	1.007276
"1364529"	358.287076	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H"	1.007276
"134869"	358.287076	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+2H"	2.014552
"577711"	536.926976	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+2H"	2.014552
"1045415"	179.647176	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2H"	2.014552
"217689"	239.193809333333	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+3H"	3.021828
"656157"	358.287076	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+3H"	3.021828
"1173188"	120.100542666667	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+3H"	3.021828
"435365"	732.593423	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+NH4"	18.033823
"798182"	1089.873223	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+NH4"	18.033823
"1693784"	375.313623	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+NH4"	18.033823
"342427"	366.8003495	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+H+NH4"	19.041099
"732297"	545.4402495	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+H+NH4"	19.041099
"1485023"	188.1604495	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H+NH4"	19.041099
"398237"	737.548818	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+Na"	22.989218
"768347"	1094.828618	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+Na"	22.989218
"1613893"	380.269018	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Na"	22.989218
"323933"	369.278047	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+H+Na"	23.996494
"717446"	547.917947	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+H+Na"	23.996494
"1474546"	190.638147	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H+Na"	23.996494
"1065606"	127.427856666667	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2H+Na"	25.00377
"1262916"	390.313286	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+CH3OH+H"	33.033486
"382585"	753.522758	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+K"	38.963158
"743579"	1110.802558	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+K"	38.963158
"1547823"	396.242958	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+K"	38.963158
"301715"	377.265017	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+H+K"	39.970434
"697422"	555.904917	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+H+K"	39.970434
"1451241"	198.625117	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H+K"	39.970434
"240937"	756.593426	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+ACN+H"	42.033826
"1212187"	399.313626	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+ACN+H"	42.033826
"1197532"	200.160451	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+ACN+2H"	43.041102
"190765"	759.53076	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+2Na-H"	44.97116
"631416"	1116.81056	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+2Na-H"	44.97116
"1138938"	402.25096	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2Na-H"	44.97116
"186482"	380.269018	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+2Na"	45.978436
"625071"	558.908918	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+2Na"	45.978436
"1125295"	201.629118	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2Na"	45.978436
"1408818"	134.755170666667	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H+2Na"	46.985712
"1443126"	404.292546	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H+HCOOH"	47.012746
"232821"	385.30204	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+3H2O+2H"	56.04448
"1518699"	418.34459	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+IsoProp+H"	61.06479
"418384"	388.255988	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+Na+K"	61.952376
"780474"	566.895888	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+Na+K"	61.952376
"1678987"	209.616088	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Na+K"	61.952376
"262231"	778.575368	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+ACN+Na"	64.015768
"1233845"	421.295568	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+ACN+Na"	64.015768
"1717265"	421.319093	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+NH4+HCOOH"	64.039293
"1182622"	142.082484666667	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+3Na"	68.967654
"1656891"	426.274488	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Na+HCOOH"	68.994688
"162656"	791.47864	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+2K-H"	76.91904
"603312"	1148.75844	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+2K-H"	76.91904
"1087824"	434.19884	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2K-H"	76.91904
"142817"	396.242958	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"2M+2K"	77.926316
"581682"	574.882858	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"3M+2K"	77.926316
"1069195"	217.603058	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2K"	77.926316
"1105202"	436.213392	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2K+H"	78.933592
"1339397"	436.301007	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+DMSO+H"	79.021207
"1007195"	440.340176	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2ACN+H"	83.060376
"1524950"	441.333808	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+IsoProp+Na+H"	84.054008
"992499"	220.673726	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+2ACN+2H"	84.067652
"1588216"	442.248428	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+K+HCOOH"	84.968628
"1425788"	472.279938	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+H+CF3COOH"	115.000138
"1161545"	241.187001	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+3ACN+2H"	125.094202
"1705628"	489.306485	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+NH4+CF3COOH"	132.026685
"1646747"	494.26188	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+Na+CF3COOH"	136.98208
"1578023"	510.23582	"C11307"	"Cetylpyridinium chloride"	"C21H38NClH2O"	"357.2798"	"M+K+CF3COOH"	152.95602
"808388"	607.3118	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M"	0
"981920"	588.29341	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-H2O-H"	-19.01839
"65787"	403.867257333333	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M-3H"	-3.021828
"516288"	606.304524	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M-3H"	-3.021828
"884612"	201.429990666667	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-3H"	-3.021828
"507"	606.304524	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M-2H"	-2.014552
"452230"	909.960424	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M-2H"	-2.014552
"826751"	302.648624	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-2H"	-2.014552
"85646"	1213.616324	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M-H"	-1.007276
"524115"	1820.928124	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M-H"	-1.007276
"905199"	606.304524	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-H"	-1.007276
"53012"	1230.642871	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M-2H+NH4"	16.019271
"501201"	1837.954671	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M-2H+NH4"	16.019271
"872561"	623.331071	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-2H+NH4"	16.019271
"42649"	1235.598266	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M-2H+Na"	20.974666
"476742"	1842.910066	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M-2H+Na"	20.974666
"851263"	628.286466	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-2H+Na"	20.974666
"1618928"	628.286466	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Na-2H"	20.974666
"95255"	624.292863	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M-H+Cl"	33.962126
"541261"	927.948763	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M-H+Cl"	33.962126
"928333"	320.636963	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-H+Cl"	33.962126
"278806"	1249.593002	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+Cl"	34.969402
"672320"	1856.904802	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+Cl"	34.969402
"1282536"	642.281202	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Cl"	34.969402
"22905"	1251.572206	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M-2H+K"	36.948606
"464651"	1858.884006	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M-2H+K"	36.948606
"838077"	644.260406	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-2H+K"	36.948606
"1560472"	644.260406	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+K-2H"	36.948606
"946166"	652.309994	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-H+HCOOH"	44.998194
"363291"	1259.621801	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+HCOOH-H"	44.998201
"347536"	1273.637451	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+Hac-H"	59.013851
"1499290"	666.325651	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Hac-H"	59.013851
"960634"	674.291951	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-H+NaCOOH"	66.980151
"119024"	642.281202	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+2Cl"	69.938804
"555304"	945.937102	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+2Cl"	69.938804
"1031758"	338.625302	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2Cl"	69.938804
"1246960"	686.230685	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Br"	78.918885
"1317065"	688.286672	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Cl+HCOOH"	80.974872
"1335424"	710.268629	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Cl+NaCOOH"	102.956829
"926357"	720.297386	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M-H+CF3COOH"	112.985586
"1302338"	756.274064	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Cl+CF3COOH"	148.962264
"1380502"	572.299124	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H-2H2O"	-35.012676
"1397152"	590.3091	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H-H2O"	-17.0027
"297326"	1215.630876	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+H"	1.007276
"687922"	1822.942676	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+H"	1.007276
"1364275"	608.319076	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H"	1.007276
"136072"	608.319076	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+2H"	2.014552
"570166"	911.974976	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+2H"	2.014552
"1045524"	304.663176	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2H"	2.014552
"217799"	405.881809333333	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+3H"	3.021828
"656264"	608.319076	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+3H"	3.021828
"1172205"	203.444542666667	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+3H"	3.021828
"435475"	1232.657423	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+NH4"	18.033823
"796469"	1839.969223	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+NH4"	18.033823
"1691706"	625.345623	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+NH4"	18.033823
"341078"	616.8323495	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+H+NH4"	19.041099
"731313"	920.4882495	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+H+NH4"	19.041099
"1481853"	313.1764495	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H+NH4"	19.041099
"401627"	1237.612818	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+Na"	22.989218
"768820"	1844.924618	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+Na"	22.989218
"1611816"	630.301018	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Na"	22.989218
"324043"	619.310047	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+H+Na"	23.996494
"715368"	922.965947	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+H+Na"	23.996494
"1475751"	315.654147	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H+Na"	23.996494
"1064623"	210.771856666667	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2H+Na"	25.00377
"1260473"	640.345286	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+CH3OH+H"	33.033486
"381602"	1253.586758	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+K"	38.963158
"740044"	1860.898558	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+K"	38.963158
"1545743"	646.274958	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+K"	38.963158
"302552"	627.297017	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+H+K"	39.970434
"698625"	930.952917	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+H+K"	39.970434
"1452444"	323.641117	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H+K"	39.970434
"241047"	1256.657426	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+ACN+H"	42.033826
"1212661"	649.345626	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+ACN+H"	42.033826
"1198735"	325.176451	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+ACN+2H"	43.041102
"192332"	1259.59476	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+2Na-H"	44.97116
"630311"	1866.90656	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+2Na-H"	44.97116
"1137225"	652.28296	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2Na-H"	44.97116
"181244"	630.301018	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+2Na"	45.978436
"617885"	933.956918	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+2Na"	45.978436
"1119208"	326.645118	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2Na"	45.978436
"1405646"	218.099170666667	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H+2Na"	46.985712
"1442142"	654.324546	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H+HCOOH"	47.012746
"230744"	635.33404	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+3H2O+2H"	56.04448
"1517716"	668.37659	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+IsoProp+H"	61.06479
"418494"	638.287988	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+Na+K"	61.952376
"781677"	941.943888	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+Na+K"	61.952376
"1679826"	334.632088	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Na+K"	61.952376
"263433"	1278.639368	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+ACN+Na"	64.015768
"1236141"	671.327568	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+ACN+Na"	64.015768
"1716282"	671.351093	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+NH4+HCOOH"	64.039293
"1181639"	225.426484666667	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+3Na"	68.967654
"1657000"	676.306488	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Na+HCOOH"	68.994688
"162766"	1291.54264	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+2K-H"	76.91904
"602329"	1898.85444	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+2K-H"	76.91904
"1087205"	684.23084	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2K-H"	76.91904
"143654"	646.274958	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"2M+2K"	77.926316
"582605"	949.930858	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"3M+2K"	77.926316
"1071006"	342.619058	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2K"	77.926316
"1102152"	686.245392	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2K+H"	78.933592
"1338413"	686.333007	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+DMSO+H"	79.021207
"1005829"	690.372176	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2ACN+H"	83.060376
"1524484"	691.365808	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+IsoProp+Na+H"	84.054008
"992609"	345.689726	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+2ACN+2H"	84.067652
"1587714"	692.280428	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+K+HCOOH"	84.968628
"1425898"	722.311938	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+H+CF3COOH"	115.000138
"1158375"	366.203001	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+3ACN+2H"	125.094202
"1709018"	739.338485	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+NH4+CF3COOH"	132.026685
"1646857"	744.29388	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+Na+CF3COOH"	136.98208
"1578133"	760.26782	"C11308"	"Chymostatin"	"C31H41N7O6"	"607.3118"	"M+K+CF3COOH"	152.95602
"808498"	523.2682	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M"	0
"982030"	504.24981	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-H2O-H"	-19.01839
"65897"	347.838190666667	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M-3H"	-3.021828
"514213"	522.260924	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M-3H"	-3.021828
"887638"	173.415457333333	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-3H"	-3.021828
"743"	522.260924	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M-2H"	-2.014552
"452340"	783.895024	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M-2H"	-2.014552
"830141"	260.626824	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-2H"	-2.014552
"89036"	1045.529124	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M-H"	-1.007276
"522038"	1568.797324	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M-H"	-1.007276
"903121"	522.260924	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-H"	-1.007276
"53122"	1062.555671	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M-2H+NH4"	16.019271
"501190"	1585.823871	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M-2H+NH4"	16.019271
"869392"	539.287471	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-2H+NH4"	16.019271
"41666"	1067.511066	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M-2H+Na"	20.974666
"476852"	1590.779266	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M-2H+Na"	20.974666
"853560"	544.242866	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-2H+Na"	20.974666
"1619812"	544.242866	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Na-2H"	20.974666
"94961"	540.249263	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M-H+Cl"	33.962126
"540278"	801.883363	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M-H+Cl"	33.962126
"927958"	278.615163	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-H+Cl"	33.962126
"278917"	1081.505802	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+Cl"	34.969402
"672431"	1604.774002	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+Cl"	34.969402
"1284833"	558.237602	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Cl"	34.969402
"19735"	1083.485006	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M-2H+K"	36.948606
"462574"	1606.753206	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M-2H+K"	36.948606
"836365"	560.216806	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-2H+K"	36.948606
"1560582"	560.216806	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+K-2H"	36.948606
"946276"	568.266394	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-H+HCOOH"	44.998194
"363033"	1091.534601	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+HCOOH-H"	44.998201
"345738"	1105.550251	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+Hac-H"	59.013851
"1492738"	582.282051	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Hac-H"	59.013851
"958540"	590.248351	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-H+NaCOOH"	66.980151
"116943"	558.237602	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+2Cl"	69.938804
"561610"	819.871702	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+2Cl"	69.938804
"1026397"	296.603502	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2Cl"	69.938804
"1244513"	602.187085	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Br"	78.918885
"1316082"	604.243072	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Cl+HCOOH"	80.974872
"1335090"	626.225029	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Cl+NaCOOH"	102.956829
"926103"	636.253786	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M-H+CF3COOH"	112.985586
"1299165"	672.230464	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Cl+CF3COOH"	148.962264
"1377332"	488.255524	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H-2H2O"	-35.012676
"1397023"	506.2655	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H-H2O"	-17.0027
"295976"	1047.543676	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+H"	1.007276
"689129"	1570.811876	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+H"	1.007276
"1365477"	524.275476	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H"	1.007276
"135818"	524.275476	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+2H"	2.014552
"574649"	785.909576	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+2H"	2.014552
"1044540"	262.641376	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2H"	2.014552
"215721"	349.852742666667	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+3H"	3.021828
"654188"	524.275476	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+3H"	3.021828
"1172314"	175.430009333333	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+3H"	3.021828
"436678"	1064.570223	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+NH4"	18.033823
"798766"	1587.838423	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+NH4"	18.033823
"1691816"	541.302023	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+NH4"	18.033823
"341188"	532.7887495	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+H+NH4"	19.041099
"730331"	794.4228495	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+H+NH4"	19.041099
"1481963"	271.1546495	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H+NH4"	19.041099
"392930"	1069.525618	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+Na"	22.989218
"757265"	1592.793818	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+Na"	22.989218
"1608646"	546.257418	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Na"	22.989218
"324152"	535.266447	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+H+Na"	23.996494
"715479"	796.900547	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+H+Na"	23.996494
"1473674"	273.632347	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H+Na"	23.996494
"1064369"	182.757323333333	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2H+Na"	25.00377
"1262041"	556.301686	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+CH3OH+H"	33.033486
"378796"	1085.499558	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+K"	38.963158
"740884"	1608.767758	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+K"	38.963158
"1544761"	562.231358	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+K"	38.963158
"301937"	543.253417	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+H+K"	39.970434
"693261"	804.887517	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+H+K"	39.970434
"1450732"	281.619317	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H+K"	39.970434
"242250"	1088.570226	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+ACN+H"	42.033826
"1216053"	565.302026	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+ACN+H"	42.033826
"1201032"	283.154651	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+ACN+2H"	43.041102
"192442"	1091.50756	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+2Na-H"	44.97116
"630179"	1614.77576	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+2Na-H"	44.97116
"1139158"	568.23936	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2Na-H"	44.97116
"181354"	546.257418	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+2Na"	45.978436
"617631"	807.891518	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+2Na"	45.978436
"1118954"	284.623318	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2Na"	45.978436
"1405756"	190.084637333333	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H+2Na"	46.985712
"1442253"	570.280946	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H+HCOOH"	47.012746
"229761"	551.29044	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+3H2O+2H"	56.04448
"1516732"	584.33299	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+IsoProp+H"	61.06479
"420426"	554.244388	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+Na+K"	61.952376
"781786"	815.878488	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+Na+K"	61.952376
"1677020"	292.610288	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Na+K"	61.952376
"262450"	1110.552168	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+ACN+Na"	64.015768
"1231877"	587.283968	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+ACN+Na"	64.015768
"1721860"	587.307493	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+NH4+HCOOH"	64.039293
"1182477"	197.411951333333	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+3Na"	68.967654
"1652734"	592.262888	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Na+HCOOH"	68.994688
"161782"	1123.45544	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+2K-H"	76.91904
"603532"	1646.72364	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+2K-H"	76.91904
"1090229"	600.18724	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2K-H"	76.91904
"142670"	562.231358	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"2M+2K"	77.926316
"582472"	823.865458	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"3M+2K"	77.926316
"1072210"	300.597258	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2K"	77.926316
"1104328"	602.201792	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2K+H"	78.933592
"1337550"	602.289407	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+DMSO+H"	79.021207
"1005695"	606.328576	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2ACN+H"	83.060376
"1524306"	607.322208	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+IsoProp+Na+H"	84.054008
"992719"	303.667926	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+2ACN+2H"	84.067652
"1587825"	608.236828	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+K+HCOOH"	84.968628
"1422728"	638.268338	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+H+CF3COOH"	115.000138
"1155204"	324.181201	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+3ACN+2H"	125.094202
"1709128"	655.294885	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+NH4+CF3COOH"	132.026685
"1646967"	660.25028	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+Na+CF3COOH"	136.98208
"1578243"	676.22422	"C11309"	"Calcimycin;Ionophore A23187"	"C29H37N3O6"	"523.2682"	"M+K+CF3COOH"	152.95602
"808608"	170.097	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M"	0
"984327"	151.07861	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-H2O-H"	-19.01839
"67100"	112.390724	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M-3H"	-3.021828
"516509"	169.089724	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M-3H"	-3.021828
"888841"	55.691724	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-3H"	-3.021828
"4134"	169.089724	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M-2H"	-2.014552
"452450"	254.138224	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M-2H"	-2.014552
"830251"	84.041224	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-2H"	-2.014552
"86961"	339.186724	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M-H"	-1.007276
"526523"	509.283724	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M-H"	-1.007276
"903231"	169.089724	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-H"	-1.007276
"52139"	356.213271	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M-2H+NH4"	16.019271
"499966"	526.310271	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M-2H+NH4"	16.019271
"869866"	186.116271	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-2H+NH4"	16.019271
"43963"	361.168666	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M-2H+Na"	20.974666
"479149"	531.265666	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M-2H+Na"	20.974666
"854398"	191.071666	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-2H+Na"	20.974666
"1622474"	191.071666	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Na-2H"	20.974666
"98637"	187.078063	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M-H+Cl"	33.962126
"538929"	272.126563	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M-H+Cl"	33.962126
"931713"	102.029563	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-H+Cl"	33.962126
"280849"	375.163402	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+Cl"	34.969402
"670354"	545.260402	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+Cl"	34.969402
"1284943"	205.066402	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Cl"	34.969402
"24219"	377.142606	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M-2H+K"	36.948606
"464872"	547.239606	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M-2H+K"	36.948606
"839393"	207.045606	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-2H+K"	36.948606
"1558506"	207.045606	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+K-2H"	36.948606
"946750"	215.095194	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-H+HCOOH"	44.998194
"361529"	385.192201	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+HCOOH-H"	44.998201
"347023"	399.207851	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+Hac-H"	59.013851
"1494760"	229.110851	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Hac-H"	59.013851
"961207"	237.077151	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-H+NaCOOH"	66.980151
"117054"	205.066402	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+2Cl"	69.938804
"563543"	290.114902	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+2Cl"	69.938804
"1027600"	120.017902	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2Cl"	69.938804
"1247177"	249.015885	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Br"	78.918885
"1307441"	251.071872	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Cl+HCOOH"	80.974872
"1334791"	273.053829	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Cl+NaCOOH"	102.956829
"921473"	283.082586	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M-H+CF3COOH"	112.985586
"1298182"	319.059264	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Cl+CF3COOH"	148.962264
"1376349"	135.084324	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H-2H2O"	-35.012676
"1396768"	153.0943	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H-H2O"	-17.0027
"295357"	341.201276	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+H"	1.007276
"689239"	511.298276	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+H"	1.007276
"1365222"	171.104276	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H"	1.007276
"134105"	171.104276	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+2H"	2.014552
"573665"	256.152776	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+2H"	2.014552
"1050118"	86.055776	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2H"	2.014552
"219357"	114.405276	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+3H"	3.021828
"659036"	171.104276	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+3H"	3.021828
"1172424"	57.706276	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+3H"	3.021828
"434601"	358.227823	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+NH4"	18.033823
"798878"	528.324823	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+NH4"	18.033823
"1691926"	188.130823	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+NH4"	18.033823
"341298"	179.6175495	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+H+NH4"	19.041099
"730441"	264.6660495	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+H+NH4"	19.041099
"1484260"	94.5690495	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H+NH4"	19.041099
"394192"	363.183218	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+Na"	22.989218
"756281"	533.280218	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+Na"	22.989218
"1607663"	193.086218	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Na"	22.989218
"322076"	182.095247	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+H+Na"	23.996494
"715590"	267.143747	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+H+Na"	23.996494
"1470504"	97.046747	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H+Na"	23.996494
"1060473"	65.03359	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2H+Na"	25.00377
"1263245"	203.130486	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+CH3OH+H"	33.033486
"379270"	379.157158	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+K"	38.963158
"738846"	549.254158	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+K"	38.963158
"1545964"	209.060158	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+K"	38.963158
"304233"	190.082217	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+H+K"	39.970434
"694829"	275.130717	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+H+K"	39.970434
"1450478"	105.033717	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H+K"	39.970434
"242360"	382.227826	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+ACN+H"	42.033826
"1217256"	212.130826	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+ACN+H"	42.033826
"1195670"	106.569051	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+ACN+2H"	43.041102
"192916"	385.16516	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+2Na-H"	44.97116
"629560"	555.26216	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+2Na-H"	44.97116
"1137081"	215.06816	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2Na-H"	44.97116
"176723"	193.086218	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+2Na"	45.978436
"618836"	278.134718	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+2Na"	45.978436
"1123437"	108.037718	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2Na"	45.978436
"1405866"	72.360904	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H+2Na"	46.985712
"1434709"	217.109746	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H+HCOOH"	47.012746
"224404"	198.11924	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+3H2O+2H"	56.04448
"1513561"	231.16179	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+IsoProp+H"	61.06479
"415433"	201.073188	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+Na+K"	61.952376
"777524"	286.121688	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+Na+K"	61.952376
"1667654"	116.024688	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Na+K"	61.952376
"261466"	404.209768	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+ACN+Na"	64.015768
"1230894"	234.112768	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+ACN+Na"	64.015768
"1719783"	234.136293	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+NH4+HCOOH"	64.039293
"1183316"	79.688218	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+3Na"	68.967654
"1652843"	239.091688	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Na+HCOOH"	68.994688
"160798"	417.11304	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+2K-H"	76.91904
"605828"	587.21004	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+2K-H"	76.91904
"1090339"	247.01604	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2K-H"	76.91904
"143873"	209.060158	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"2M+2K"	77.926316
"582704"	294.108658	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"3M+2K"	77.926316
"1070134"	124.011658	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2K"	77.926316
"1106624"	249.030592	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2K+H"	78.933592
"1337174"	249.118207	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+DMSO+H"	79.021207
"1005662"	253.157376	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2ACN+H"	83.060376
"1524211"	254.151008	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+IsoProp+Na+H"	84.054008
"992100"	127.082326	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+2ACN+2H"	84.067652
"1587446"	255.065628	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+K+HCOOH"	84.968628
"1422838"	285.097138	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+H+CF3COOH"	115.000138
"1156407"	147.595601	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+3ACN+2H"	125.094202
"1705958"	302.123685	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+NH4+CF3COOH"	132.026685
"1645984"	307.07908	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+Na+CF3COOH"	136.98208
"1578353"	323.05302	"C11310"	"1-Methyl-4-phenylpyridinium;N-Methyl-4-phenylpyridine;Cyperquat"	"C12H12N"	"170.097"	"M+K+CF3COOH"	152.95602
"811998"	790.5231	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M"	0
"984437"	771.50471	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-H2O-H"	-19.01839
"68305"	526.008124	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M-3H"	-3.021828
"516620"	789.515824	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M-3H"	-3.021828
"892232"	262.500424	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-3H"	-3.021828
"6432"	789.515824	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M-2H"	-2.014552
"452560"	1184.777374	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M-2H"	-2.014552
"824894"	394.254274	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-2H"	-2.014552
"87072"	1580.038924	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M-H"	-1.007276
"529911"	2370.562024	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M-H"	-1.007276
"903341"	789.515824	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-H"	-1.007276
"55528"	1597.065471	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M-2H+NH4"	16.019271
"498372"	2387.588571	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M-2H+NH4"	16.019271
"875080"	806.542371	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-2H+NH4"	16.019271
"44075"	1602.020866	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M-2H+Na"	20.974666
"481447"	2392.543966	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M-2H+Na"	20.974666
"854874"	811.497766	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-2H+Na"	20.974666
"1625500"	811.497766	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Na-2H"	20.974666
"100934"	807.504163	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M-H+Cl"	33.962126
"540498"	1202.765713	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M-H+Cl"	33.962126
"934012"	412.242613	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-H+Cl"	33.962126
"276950"	1616.015602	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+Cl"	34.969402
"670464"	2406.538702	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+Cl"	34.969402
"1278493"	825.492502	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Cl"	34.969402
"26516"	1617.994806	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M-2H+K"	36.948606
"463889"	2408.517906	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M-2H+K"	36.948606
"841690"	827.471706	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-2H+K"	36.948606
"1561896"	827.471706	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+K-2H"	36.948606
"947590"	835.521294	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-H+HCOOH"	44.998194
"362275"	1626.044401	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+HCOOH-H"	44.998201
"347253"	1640.060051	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+Hac-H"	59.013851
"1494506"	849.536951	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Hac-H"	59.013851
"960952"	857.503251	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-H+NaCOOH"	66.980151
"116069"	825.492502	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+2Cl"	69.938804
"562925"	1220.754052	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+2Cl"	69.938804
"1027710"	430.230952	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2Cl"	69.938804
"1244735"	869.441985	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Br"	78.918885
"1306088"	871.497972	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Cl+HCOOH"	80.974872
"1323961"	893.479929	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Cl+NaCOOH"	102.956829
"921583"	903.508686	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M-H+CF3COOH"	112.985586
"1299386"	939.485364	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Cl+CF3COOH"	148.962264
"1375365"	755.510424	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H-2H2O"	-35.012676
"1396512"	773.5204	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H-H2O"	-17.0027
"295103"	1582.053476	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+H"	1.007276
"687525"	2372.576576	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+H"	1.007276
"1364968"	791.530376	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H"	1.007276
"136402"	791.530376	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+2H"	2.014552
"574869"	1186.791926	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+2H"	2.014552
"1050592"	396.268826	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2H"	2.014552
"218492"	528.022676	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+3H"	3.021828
"659066"	791.530376	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+3H"	3.021828
"1172534"	264.514976	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+3H"	3.021828
"434711"	1599.080023	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+NH4"	18.033823
"797894"	2389.603123	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+NH4"	18.033823
"1694223"	808.556923	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+NH4"	18.033823
"341408"	800.0436495	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+H+NH4"	19.041099
"729458"	1195.3051995	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+H+NH4"	19.041099
"1484370"	404.7820995	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H+NH4"	19.041099
"395396"	1604.035418	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+Na"	22.989218
"756755"	2394.558518	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+Na"	22.989218
"1604493"	813.512318	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Na"	22.989218
"321093"	802.521347	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+H+Na"	23.996494
"713513"	1197.782897	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+H+Na"	23.996494
"1468426"	407.259797	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H+Na"	23.996494
"1062766"	271.84229	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2H+Na"	25.00377
"1263354"	823.556586	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+CH3OH+H"	33.033486
"378284"	1620.009358	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+K"	38.963158
"741102"	2410.532458	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+K"	38.963158
"1543885"	829.486258	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+K"	38.963158
"304341"	810.508317	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+H+K"	39.970434
"694939"	1205.769867	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+H+K"	39.970434
"1452045"	415.246767	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H+K"	39.970434
"241741"	1623.080026	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+ACN+H"	42.033826
"1210024"	832.556926	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+ACN+H"	42.033826
"1195779"	416.782101	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+ACN+2H"	43.041102
"192297"	1626.01736	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+2Na-H"	44.97116
"629299"	2416.54046	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+2Na-H"	44.97116
"1135365"	835.49426	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2Na-H"	44.97116
"176833"	813.512318	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+2Na"	45.978436
"613513"	1208.773868	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+2Na"	45.978436
"1124640"	418.250768	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2Na"	45.978436
"1403060"	279.169604	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H+2Na"	46.985712
"1434819"	837.535846	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H+HCOOH"	47.012746
"223785"	818.54534	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+3H2O+2H"	56.04448
"1511485"	851.58789	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+IsoProp+H"	61.06479
"414450"	821.499288	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+Na+K"	61.952376
"776541"	1216.760838	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+Na+K"	61.952376
"1668492"	426.237738	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Na+K"	61.952376
"259390"	1645.061968	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+ACN+Na"	64.015768
"1231004"	854.538868	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+ACN+Na"	64.015768
"1714057"	854.562393	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+NH4+HCOOH"	64.039293
"1182333"	286.496918	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+3Na"	68.967654
"1650766"	859.517788	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Na+HCOOH"	68.994688
"159086"	1657.96524	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+2K-H"	76.91904
"602294"	2448.48834	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+2K-H"	76.91904
"1087169"	867.44214	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2K-H"	76.91904
"142889"	829.486258	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"2M+2K"	77.926316
"582813"	1224.747808	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"3M+2K"	77.926316
"1069878"	434.224708	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2K"	77.926316
"1104547"	869.456692	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2K+H"	78.933592
"1336553"	869.544307	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+DMSO+H"	79.021207
"1005836"	873.583476	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2ACN+H"	83.060376
"1524529"	874.577108	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+IsoProp+Na+H"	84.054008
"990507"	437.295376	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+2ACN+2H"	84.067652
"1587435"	875.491728	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+K+HCOOH"	84.968628
"1421854"	905.523238	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+H+CF3COOH"	115.000138
"1156517"	457.808651	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+3ACN+2H"	125.094202
"1699506"	922.549785	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+NH4+CF3COOH"	132.026685
"1643907"	927.50518	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+Na+CF3COOH"	136.98208
"1578463"	943.47912	"C11311"	"Oligomycin A"	"C45H74O11"	"790.5231"	"M+K+CF3COOH"	152.95602
"815390"	804.5024	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M"	0
"984547"	785.48401	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-H2O-H"	-19.01839
"68415"	535.327657333333	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M-3H"	-3.021828
"518449"	803.495124	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M-3H"	-3.021828
"893438"	267.160190666667	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-3H"	-3.021828
"13103"	803.495124	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M-2H"	-2.014552
"454857"	1205.746324	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M-2H"	-2.014552
"826098"	401.243924	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-2H"	-2.014552
"86089"	1607.997524	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M-H"	-1.007276
"527834"	2412.499924	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M-H"	-1.007276
"904546"	803.495124	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-H"	-1.007276
"55640"	1625.024071	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M-2H+NH4"	16.019271
"497386"	2429.526471	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M-2H+NH4"	16.019271
"874096"	820.521671	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-2H+NH4"	16.019271
"44185"	1629.979466	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M-2H+Na"	20.974666
"482650"	2434.481866	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M-2H+Na"	20.974666
"855347"	825.477066	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-2H+Na"	20.974666
"1626703"	825.477066	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Na-2H"	20.974666
"101043"	821.483463	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M-H+Cl"	33.962126
"543889"	1223.734663	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M-H+Cl"	33.962126
"931935"	419.232263	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-H+Cl"	33.962126
"281679"	1643.974202	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+Cl"	34.969402
"670574"	2448.476602	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+Cl"	34.969402
"1285164"	839.471802	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Cl"	34.969402
"29906"	1645.953406	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M-2H+K"	36.948606
"465093"	2450.455806	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M-2H+K"	36.948606
"839614"	841.451006	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-2H+K"	36.948606
"1560914"	841.451006	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+K-2H"	36.948606
"949888"	849.500594	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-H+HCOOH"	44.998194
"361902"	1654.003001	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+HCOOH-H"	44.998201
"346515"	1668.018651	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+Hac-H"	59.013851
"1495345"	863.516251	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Hac-H"	59.013851
"960333"	871.482551	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-H+NaCOOH"	66.980151
"115086"	839.471802	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+2Cl"	69.938804
"561211"	1241.723002	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+2Cl"	69.938804
"1031102"	437.220602	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2Cl"	69.938804
"1242295"	883.421285	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Br"	78.918885
"1305107"	885.477272	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Cl+HCOOH"	80.974872
"1329538"	907.459229	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Cl+NaCOOH"	102.956829
"925705"	917.487986	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M-H+CF3COOH"	112.985586
"1299497"	953.464664	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Cl+CF3COOH"	148.962264
"1379485"	769.489724	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H-2H2O"	-35.012676
"1395893"	787.4997	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H-H2O"	-17.0027
"296671"	1610.012076	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+H"	1.007276
"683988"	2414.514476	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+H"	1.007276
"1362525"	805.509676	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H"	1.007276
"139795"	805.509676	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+2H"	2.014552
"579355"	1207.760876	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+2H"	2.014552
"1045963"	403.258476	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2H"	2.014552
"219211"	537.342209333333	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+3H"	3.021828
"656340"	805.509676	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+3H"	3.021828
"1172644"	269.174742666667	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+3H"	3.021828
"438102"	1627.038623	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+NH4"	18.033823
"798733"	2431.541023	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+NH4"	18.033823
"1693240"	822.536223	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+NH4"	18.033823
"341518"	814.0229495	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+H+NH4"	19.041099
"730661"	1216.2741495	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+H+NH4"	19.041099
"1486667"	411.7717495	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H+NH4"	19.041099
"400973"	1631.994018	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+Na"	22.989218
"764156"	2436.496418	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+Na"	22.989218
"1616630"	827.491618	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Na"	22.989218
"326671"	816.500647	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+H+Na"	23.996494
"716905"	1218.751847	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+H+Na"	23.996494
"1470725"	414.249447	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H+Na"	23.996494
"1063967"	276.502056666667	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2H+Na"	25.00377
"1263466"	837.535886	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+CH3OH+H"	33.033486
"379853"	1647.967958	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+K"	38.963158
"741211"	2452.470358	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+K"	38.963158
"1544359"	843.465558	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+K"	38.963158
"305546"	824.487617	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+H+K"	39.970434
"700155"	1226.738817	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+H+K"	39.970434
"1449968"	422.236417	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H+K"	39.970434
"241121"	1651.038626	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+ACN+H"	42.033826
"1214557"	846.536226	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+ACN+H"	42.033826
"1196981"	423.771751	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+ACN+2H"	43.041102
"193136"	1653.97596	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+2Na-H"	44.97116
"629772"	2458.47836	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+2Na-H"	44.97116
"1132425"	849.47356	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2Na-H"	44.97116
"175845"	827.491618	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+2Na"	45.978436
"615769"	1229.742818	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+2Na"	45.978436
"1125843"	425.240418	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2Na"	45.978436
"1401709"	283.829370666667	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H+2Na"	46.985712
"1432012"	851.515146	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H+HCOOH"	47.012746
"224623"	832.52464	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+3H2O+2H"	56.04448
"1511595"	865.56719	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+IsoProp+H"	61.06479
"412008"	835.478588	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+Na+K"	61.952376
"775556"	1237.729788	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+Na+K"	61.952376
"1672977"	433.227388	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Na+K"	61.952376
"257313"	1673.020568	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+ACN+Na"	64.015768
"1230021"	868.518168	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+ACN+Na"	64.015768
"1717815"	868.541693	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+NH4+HCOOH"	64.039293
"1181714"	291.156684666667	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+3Na"	68.967654
"1651605"	873.497088	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Na+HCOOH"	68.994688
"161018"	1685.92384	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+2K-H"	76.91904
"604590"	2490.42624	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+2K-H"	76.91904
"1088371"	881.42144	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2K-H"	76.91904
"142023"	843.465558	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"2M+2K"	77.926316
"582679"	1245.716758	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"3M+2K"	77.926316
"1070354"	441.214358	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2K"	77.926316
"1103563"	883.435992	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2K+H"	78.933592
"1342134"	883.523607	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+DMSO+H"	79.021207
"1006286"	887.562776	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2ACN+H"	83.060376
"1524648"	888.556408	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+IsoProp+Na+H"	84.054008
"991958"	444.285026	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+2ACN+2H"	84.067652
"1587303"	889.471028	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+K+HCOOH"	84.968628
"1421964"	919.502538	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+H+CF3COOH"	115.000138
"1156628"	464.798301	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+3ACN+2H"	125.094202
"1703991"	936.529085	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+NH4+CF3COOH"	132.026685
"1641830"	941.48448	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+Na+CF3COOH"	136.98208
"1578573"	957.45842	"C11312"	"Oligomycin B"	"C45H72O12"	"804.5024"	"M+K+CF3COOH"	152.95602
"808938"	774.5282	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M"	0
"982470"	755.50981	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-H2O-H"	-19.01839
"68524"	515.344857333333	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M-3H"	-3.021828
"516840"	773.520924	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M-3H"	-3.021828
"893548"	257.168790666667	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-3H"	-3.021828
"12121"	773.520924	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M-2H"	-2.014552
"455673"	1160.785024	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M-2H"	-2.014552
"829489"	386.256824	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-2H"	-2.014552
"88386"	1548.049124	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M-H"	-1.007276
"526853"	2322.577324	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M-H"	-1.007276
"902469"	773.520924	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-H"	-1.007276
"53563"	1565.075671	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M-2H+NH4"	16.019271
"497496"	2339.603871	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M-2H+NH4"	16.019271
"876393"	790.547471	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-2H+NH4"	16.019271
"46117"	1570.031066	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M-2H+Na"	20.974666
"483854"	2344.559266	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M-2H+Na"	20.974666
"858375"	795.502866	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-2H+Na"	20.974666
"1626814"	795.502866	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Na-2H"	20.974666
"101517"	791.509263	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M-H+Cl"	33.962126
"545093"	1178.773363	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M-H+Cl"	33.962126
"937513"	404.245163	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-H+Cl"	33.962126
"281303"	1584.025802	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+Cl"	34.969402
"675429"	2358.554002	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+Cl"	34.969402
"1288032"	809.497602	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Cl"	34.969402
"25644"	1586.005006	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M-2H+K"	36.948606
"468483"	2360.533206	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M-2H+K"	36.948606
"843005"	811.476806	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-2H+K"	36.948606
"1564305"	811.476806	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+K-2H"	36.948606
"951093"	819.526394	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-H+HCOOH"	44.998194
"361847"	1594.054601	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+HCOOH-H"	44.998201
"347357"	1608.070251	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+Hac-H"	59.013851
"1496550"	833.542051	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Hac-H"	59.013851
"960810"	841.508351	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-H+NaCOOH"	66.980151
"114102"	809.497602	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+2Cl"	69.938804
"564479"	1196.761702	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+2Cl"	69.938804
"1031212"	422.233502	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2Cl"	69.938804
"1245323"	853.447085	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Br"	78.918885
"1306675"	855.503072	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Cl+HCOOH"	80.974872
"1330741"	877.485029	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Cl+NaCOOH"	102.956829
"924722"	887.513786	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M-H+CF3COOH"	112.985586
"1301794"	923.490464	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Cl+CF3COOH"	148.962264
"1375578"	739.515524	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H-2H2O"	-35.012676
"1397707"	757.5255	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H-H2O"	-17.0027
"296055"	1550.063676	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+H"	1.007276
"685559"	2324.591876	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+H"	1.007276
"1361545"	775.535476	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H"	1.007276
"139906"	775.535476	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+2H"	2.014552
"580196"	1162.799576	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+2H"	2.014552
"1051181"	388.271376	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2H"	2.014552
"218354"	517.359409333333	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+3H"	3.021828
"657546"	775.535476	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+3H"	3.021828
"1177375"	259.183342666667	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+3H"	3.021828
"439919"	1567.090223	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+NH4"	18.033823
"801194"	2341.618423	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+NH4"	18.033823
"1696980"	792.562023	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+NH4"	18.033823
"345154"	784.0487495	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+H+NH4"	19.041099
"735145"	1171.3128495	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+H+NH4"	19.041099
"1487870"	396.7846495	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H+NH4"	19.041099
"404364"	1572.045618	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+Na"	22.989218
"768277"	2346.573818	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+Na"	22.989218
"1617834"	797.517418	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Na"	22.989218
"326781"	786.526447	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+H+Na"	23.996494
"717015"	1173.790547	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+H+Na"	23.996494
"1471930"	399.262347	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H+Na"	23.996494
"1061895"	266.510656666667	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2H+Na"	25.00377
"1269043"	807.561686	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+CH3OH+H"	33.033486
"385433"	1588.019558	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+K"	38.963158
"743510"	2362.547758	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+K"	38.963158
"1546295"	813.491358	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+K"	38.963158
"306752"	794.513417	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+H+K"	39.970434
"703910"	1181.777517	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+H+K"	39.970434
"1449714"	407.249317	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H+K"	39.970434
"239408"	1591.090226	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+ACN+H"	42.033826
"1216492"	816.562026	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+ACN+H"	42.033826
"1197458"	408.784651	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+ACN+2H"	43.041102
"191422"	1594.02756	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+2Na-H"	44.97116
"629883"	2368.55576	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+2Na-H"	44.97116
"1132662"	819.49936	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2Na-H"	44.97116
"174500"	797.517418	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+2Na"	45.978436
"614421"	1184.781518	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+2Na"	45.978436
"1124860"	410.253318	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2Na"	45.978436
"1400724"	273.837970666667	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H+2Na"	46.985712
"1439412"	821.540946	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H+HCOOH"	47.012746
"229109"	802.55044	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+3H2O+2H"	56.04448
"1517172"	835.59299	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+IsoProp+H"	61.06479
"415763"	805.504388	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+Na+K"	61.952376
"780039"	1192.768488	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+Na+K"	61.952376
"1674181"	418.240288	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Na+K"	61.952376
"262891"	1613.072168	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+ACN+Na"	64.015768
"1235598"	838.543968	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+ACN+Na"	64.015768
"1717925"	838.567493	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+NH4+HCOOH"	64.039293
"1181460"	281.165284666667	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+3Na"	68.967654
"1651108"	843.522888	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Na+HCOOH"	68.994688
"159306"	1625.97544	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+2K-H"	76.91904
"603242"	2400.50364	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+2K-H"	76.91904
"1085564"	851.44724	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2K-H"	76.91904
"141767"	813.491358	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"2M+2K"	77.926316
"582302"	1200.755458	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"3M+2K"	77.926316
"1070463"	426.227258	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2K"	77.926316
"1105860"	853.461792	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2K+H"	78.933592
"1337141"	853.549407	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+DMSO+H"	79.021207
"1006154"	857.588576	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2ACN+H"	83.060376
"1525981"	858.582208	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+IsoProp+Na+H"	84.054008
"991337"	429.297926	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+2ACN+2H"	84.067652
"1588027"	859.496828	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+K+HCOOH"	84.968628
"1423168"	889.528338	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+H+CF3COOH"	115.000138
"1156739"	449.811201	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+3ACN+2H"	125.094202
"1707381"	906.554885	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+NH4+CF3COOH"	132.026685
"1644127"	911.51028	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+Na+CF3COOH"	136.98208
"1578683"	927.48422	"C11313"	"Oligomycin C"	"C45H74O10"	"774.5282"	"M+K+CF3COOH"	152.95602
"815610"	776.5075	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M"	0
"984768"	757.48911	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-H2O-H"	-19.01839
"65355"	516.664390666667	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M-3H"	-3.021828
"514763"	775.500224	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M-3H"	-3.021828
"894265"	257.828557333333	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-3H"	-3.021828
"10045"	775.500224	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M-2H"	-2.014552
"454354"	1163.753974	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M-2H"	-2.014552
"829599"	387.246474	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-2H"	-2.014552
"87403"	1552.007724	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M-H"	-1.007276
"530243"	2328.515224	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M-H"	-1.007276
"900392"	775.500224	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-H"	-1.007276
"56953"	1569.034271	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M-2H+NH4"	16.019271
"497606"	2345.541771	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M-2H+NH4"	16.019271
"869576"	792.526771	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-2H+NH4"	16.019271
"43311"	1573.989666	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M-2H+Na"	20.974666
"483964"	2350.497166	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M-2H+Na"	20.974666
"858485"	797.482166	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-2H+Na"	20.974666
"1625830"	797.482166	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Na-2H"	20.974666
"101263"	793.488563	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M-H+Cl"	33.962126
"541923"	1181.742313	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M-H+Cl"	33.962126
"935436"	405.234813	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-H+Cl"	33.962126
"278373"	1587.984402	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+Cl"	34.969402
"674442"	2364.491902	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+Cl"	34.969402
"1284291"	811.476902	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Cl"	34.969402
"23567"	1589.963606	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M-2H+K"	36.948606
"465313"	2366.471106	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M-2H+K"	36.948606
"843115"	813.456106	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-2H+K"	36.948606
"1561135"	813.456106	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+K-2H"	36.948606
"947922"	821.505694	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-H+HCOOH"	44.998194
"362167"	1598.013201	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+HCOOH-H"	44.998201
"346854"	1612.028851	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+Hac-H"	59.013851
"1496292"	835.521351	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Hac-H"	59.013851
"959095"	843.487651	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-H+NaCOOH"	66.980151
"113119"	811.476902	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+2Cl"	69.938804
"551585"	1199.730652	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+2Cl"	69.938804
"1028042"	423.223152	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2Cl"	69.938804
"1245433"	855.426385	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Br"	78.918885
"1304433"	857.482372	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Cl+HCOOH"	80.974872
"1329758"	879.464329	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Cl+NaCOOH"	102.956829
"925561"	889.493086	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M-H+CF3COOH"	112.985586
"1301903"	925.469764	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Cl+CF3COOH"	148.962264
"1376781"	741.494824	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H-2H2O"	-35.012676
"1395750"	759.5048	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H-H2O"	-17.0027
"296530"	1554.022276	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+H"	1.007276
"686763"	2330.529776	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+H"	1.007276
"1358371"	777.514776	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H"	1.007276
"140017"	777.514776	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+2H"	2.014552
"579821"	1165.768526	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+2H"	2.014552
"1050564"	389.261026	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2H"	2.014552
"218827"	518.678942666667	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+3H"	3.021828
"658752"	777.514776	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+3H"	3.021828
"1176513"	259.843109333333	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+3H"	3.021828
"437960"	1571.048823	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+NH4"	18.033823
"799686"	2347.556323	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+NH4"	18.033823
"1694555"	794.541323	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+NH4"	18.033823
"343809"	786.0280495	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+H+NH4"	19.041099
"735255"	1174.2817995	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+H+NH4"	19.041099
"1487981"	397.7742995	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H+NH4"	19.041099
"406299"	1576.004218	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+Na"	22.989218
"766567"	2352.511718	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+Na"	22.989218
"1614665"	799.496718	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Na"	22.989218
"327985"	788.505747	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+H+Na"	23.996494
"720407"	1176.759497	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+H+Na"	23.996494
"1475688"	400.251997	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H+Na"	23.996494
"1067109"	267.170423333333	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2H+Na"	25.00377
"1269153"	809.540986	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+CH3OH+H"	33.033486
"383356"	1591.978158	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+K"	38.963158
"745446"	2368.485658	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+K"	38.963158
"1547501"	815.470658	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+K"	38.963158
"307956"	796.492717	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+H+K"	39.970434
"699283"	1184.746467	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+H+K"	39.970434
"1450920"	408.238967	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H+K"	39.970434
"239154"	1595.048826	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+ACN+H"	42.033826
"1214417"	818.541326	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+ACN+H"	42.033826
"1204857"	409.774301	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+ACN+2H"	43.041102
"199552"	1597.98616	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+2Na-H"	44.97116
"632190"	2374.49366	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+2Na-H"	44.97116
"1132894"	821.47866	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2Na-H"	44.97116
"175096"	799.496718	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+2Na"	45.978436
"613678"	1187.750468	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+2Na"	45.978436
"1121691"	411.242968	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2Na"	45.978436
"1400105"	274.497737333333	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H+2Na"	46.985712
"1438430"	823.520246	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H+HCOOH"	47.012746
"229217"	804.52974	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+3H2O+2H"	56.04448
"1517282"	837.57229	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+IsoProp+H"	61.06479
"416967"	807.483688	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+Na+K"	61.952376
"777965"	1195.737438	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+Na+K"	61.952376
"1674291"	419.229938	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Na+K"	61.952376
"263731"	1617.030768	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+ACN+Na"	64.015768
"1236802"	840.523268	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+ACN+Na"	64.015768
"1719130"	840.546793	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+NH4+HCOOH"	64.039293
"1182664"	281.825051333333	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+3Na"	68.967654
"1651461"	845.502188	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Na+HCOOH"	68.994688
"162697"	1629.93404	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+2K-H"	76.91904
"601532"	2406.44154	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+2K-H"	76.91904
"1087863"	853.42654	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2K-H"	76.91904
"146501"	815.470658	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"2M+2K"	77.926316
"582414"	1203.724408	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"3M+2K"	77.926316
"1073854"	427.216908	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2K"	77.926316
"1105970"	855.441092	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2K+H"	78.933592
"1341261"	855.528707	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+DMSO+H"	79.021207
"1014164"	859.567876	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2ACN+H"	83.060376
"1526091"	860.561508	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+IsoProp+Na+H"	84.054008
"991447"	430.287576	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+2ACN+2H"	84.067652
"1592148"	861.476128	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+K+HCOOH"	84.968628
"1424371"	891.507638	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+H+CF3COOH"	115.000138
"1156849"	450.800851	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+3ACN+2H"	125.094202
"1707491"	908.534185	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+NH4+CF3COOH"	132.026685
"1646424"	913.48958	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+Na+CF3COOH"	136.98208
"1578793"	929.46352	"C11314"	"Oligomycin D;Rutamycin"	"C44H72O11"	"776.5075"	"M+K+CF3COOH"	152.95602
"804782"	466.1271	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M"	0
"982690"	447.10871	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-H2O-H"	-19.01839
"64733"	309.744124	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M-3H"	-3.021828
"517057"	465.119824	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M-3H"	-3.021828
"892672"	154.368424	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-3H"	-3.021828
"10153"	465.119824	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M-2H"	-2.014552
"453000"	698.183374	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M-2H"	-2.014552
"830801"	232.056274	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-2H"	-2.014552
"91884"	931.246924	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M-H"	-1.007276
"531443"	1397.374024	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M-H"	-1.007276
"905968"	465.119824	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-H"	-1.007276
"62170"	948.273471	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M-2H+NH4"	16.019271
"499901"	1414.400571	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M-2H+NH4"	16.019271
"873330"	482.146371	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-2H+NH4"	16.019271
"45247"	953.228866	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M-2H+Na"	20.974666
"485538"	1419.355966	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M-2H+Na"	20.974666
"862970"	487.101766	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-2H+Na"	20.974666
"1630312"	487.101766	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Na-2H"	20.974666
"106839"	483.108163	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M-H+Cl"	33.962126
"545312"	716.171713	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M-H+Cl"	33.962126
"932993"	250.044613	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-H+Cl"	33.962126
"280185"	967.223602	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+Cl"	34.969402
"672728"	1433.350702	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+Cl"	34.969402
"1283308"	501.096502	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Cl"	34.969402
"19302"	969.202806	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M-2H+K"	36.948606
"459954"	1435.329906	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M-2H+K"	36.948606
"842131"	503.075706	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-2H+K"	36.948606
"1560150"	503.075706	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+K-2H"	36.948606
"943413"	511.125294	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-H+HCOOH"	44.998194
"365146"	977.252401	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+HCOOH-H"	44.998201
"347573"	991.268051	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+Hac-H"	59.013851
"1494943"	525.140951	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Hac-H"	59.013851
"960419"	533.107251	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-H+NaCOOH"	66.980151
"110787"	501.096502	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+2Cl"	69.938804
"550031"	734.160052	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+2Cl"	69.938804
"1021820"	268.032952	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2Cl"	69.938804
"1241895"	545.045985	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Br"	78.918885
"1304462"	547.101972	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Cl+HCOOH"	80.974872
"1324400"	569.083929	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Cl+NaCOOH"	102.956829
"916553"	579.112686	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M-H+CF3COOH"	112.985586
"1299825"	615.089364	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Cl+CF3COOH"	148.962264
"1376891"	431.114424	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H-2H2O"	-35.012676
"1397309"	449.1244	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H-H2O"	-17.0027
"296999"	933.261476	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+H"	1.007276
"689423"	1399.388576	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+H"	1.007276
"1360666"	467.134376	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H"	1.007276
"135750"	467.134376	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+2H"	2.014552
"572028"	700.197926	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+2H"	2.014552
"1047389"	234.070826	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2H"	2.014552
"217115"	311.758676	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+3H"	3.021828
"658007"	467.134376	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+3H"	3.021828
"1169692"	156.382976	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+3H"	3.021828
"431870"	950.288023	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+NH4"	18.033823
"796511"	1416.415123	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+NH4"	18.033823
"1688102"	484.160923	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+NH4"	18.033823
"339661"	475.6476495	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+H+NH4"	19.041099
"733176"	708.7111995	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+H+NH4"	19.041099
"1488089"	242.5840995	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H+NH4"	19.041099
"401302"	955.243418	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+Na"	22.989218
"766672"	1421.370518	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+Na"	22.989218
"1612590"	489.116318	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Na"	22.989218
"325544"	478.125347	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+H+Na"	23.996494
"719426"	711.188897	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+H+Na"	23.996494
"1474586"	245.061797	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H+Na"	23.996494
"1061021"	163.71029	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2H+Na"	25.00377
"1268170"	499.160586	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+CH3OH+H"	33.033486
"382372"	971.217358	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+K"	38.963158
"741185"	1437.344458	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+K"	38.963158
"1540062"	505.090258	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+K"	38.963158
"301871"	486.112317	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+H+K"	39.970434
"697209"	719.175867	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+H+K"	39.970434
"1446045"	253.048767	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H+K"	39.970434
"239264"	974.288026	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+ACN+H"	42.033826
"1215618"	508.160926	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+ACN+H"	42.033826
"1202781"	254.584101	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+ACN+2H"	43.041102
"198933"	977.22536	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+2Na-H"	44.97116
"638491"	1443.35246	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+2Na-H"	44.97116
"1132277"	511.09826	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2Na-H"	44.97116
"175073"	489.116318	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+2Na"	45.978436
"614641"	722.179868	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+2Na"	45.978436
"1125080"	256.052768	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2Na"	45.978436
"1400462"	171.037604	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H+2Na"	46.985712
"1439268"	513.139846	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H+HCOOH"	47.012746
"227140"	494.14934	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+3H2O+2H"	56.04448
"1518486"	527.19189	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+IsoProp+H"	61.06479
"417078"	497.103288	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+Na+K"	61.952376
"778075"	730.166838	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+Na+K"	61.952376
"1676590"	264.039738	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Na+K"	61.952376
"263477"	996.269968	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+ACN+Na"	64.015768
"1237641"	530.142868	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+ACN+Na"	64.015768
"1718147"	530.166393	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+NH4+HCOOH"	64.039293
"1181681"	178.364918	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+3Na"	68.967654
"1654123"	535.121788	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Na+HCOOH"	68.994688
"162442"	1009.17324	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+2K-H"	76.91904
"603101"	1475.30034	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+2K-H"	76.91904
"1086880"	543.04614	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2K-H"	76.91904
"146613"	505.090258	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"2M+2K"	77.926316
"587267"	738.153808	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"3M+2K"	77.926316
"1073966"	272.026708	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2K"	77.926316
"1103895"	545.060692	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2K+H"	78.933592
"1340281"	545.148307	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+DMSO+H"	79.021207
"1010994"	549.187476	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2ACN+H"	83.060376
"1524744"	550.181108	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+IsoProp+Na+H"	84.054008
"992287"	275.097376	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+2ACN+2H"	84.067652
"1590436"	551.095728	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+K+HCOOH"	84.968628
"1426668"	581.127238	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+H+CF3COOH"	115.000138
"1159145"	295.610651	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+3ACN+2H"	125.094202
"1707601"	598.153785	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+NH4+CF3COOH"	132.026685
"1647263"	603.10918	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+Na+CF3COOH"	136.98208
"1578903"	619.08312	"C11315"	"S-(4-Azidophenacyl)glutathione;S-(p-Azidophenacyl)glutathione"	"C18H22N6O7S"	"466.1271"	"M+K+CF3COOH"	152.95602
"802707"	383.0781	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M"	0
"982800"	364.05971	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-H2O-H"	-19.01839
"66668"	254.378124	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M-3H"	-3.021828
"514980"	382.070824	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M-3H"	-3.021828
"887314"	126.685424	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-3H"	-3.021828
"2608"	382.070824	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M-2H"	-2.014552
"453110"	573.609874	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M-2H"	-2.014552
"832005"	190.531774	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-2H"	-2.014552
"87621"	765.148924	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M-H"	-1.007276
"530460"	1148.227024	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M-H"	-1.007276
"907173"	382.070824	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-H"	-1.007276
"61182"	782.175471	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M-2H+NH4"	16.019271
"502078"	1165.253571	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M-2H+NH4"	16.019271
"873440"	399.097371	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-2H+NH4"	16.019271
"42437"	787.130866	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M-2H+Na"	20.974666
"486008"	1170.208966	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M-2H+Na"	20.974666
"859796"	404.052766	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-2H+Na"	20.974666
"1627142"	404.052766	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Na-2H"	20.974666
"104762"	400.059163	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M-H+Cl"	33.962126
"545422"	591.598213	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M-H+Cl"	33.962126
"932738"	208.520113	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-H+Cl"	33.962126
"280416"	801.125602	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+Cl"	34.969402
"672838"	1184.203702	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+Cl"	34.969402
"1283417"	418.047502	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Cl"	34.969402
"21599"	803.104806	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M-2H+K"	36.948606
"460064"	1186.182906	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M-2H+K"	36.948606
"841148"	420.026706	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-2H+K"	36.948606
"1559167"	420.026706	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+K-2H"	36.948606
"944131"	428.076294	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-H+HCOOH"	44.998194
"365257"	811.154401	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+HCOOH-H"	44.998201
"349141"	825.170051	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+Hac-H"	59.013851
"1496880"	442.091951	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Hac-H"	59.013851
"962231"	450.058251	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-H+NaCOOH"	66.980151
"110653"	418.047502	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+2Cl"	69.938804
"550335"	609.586552	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+2Cl"	69.938804
"1022416"	226.508452	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2Cl"	69.938804
"1242004"	461.996985	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Br"	78.918885
"1304443"	464.052972	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Cl+HCOOH"	80.974872
"1324510"	486.034929	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Cl+NaCOOH"	102.956829
"914476"	496.063686	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M-H+CF3COOH"	112.985586
"1302120"	532.040364	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Cl+CF3COOH"	148.962264
"1377001"	348.065424	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H-2H2O"	-35.012676
"1396687"	366.0754	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H-H2O"	-17.0027
"297108"	767.163476	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+H"	1.007276
"690868"	1150.241576	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+H"	1.007276
"1357496"	384.085376	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H"	1.007276
"136954"	384.085376	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+2H"	2.014552
"575419"	575.624426	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+2H"	2.014552
"1050415"	192.546326	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2H"	2.014552
"217954"	256.392676	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+3H"	3.021828
"656415"	384.085376	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+3H"	3.021828
"1174175"	128.699976	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+3H"	3.021828
"431980"	784.190023	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+NH4"	18.033823
"791882"	1167.268123	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+NH4"	18.033823
"1687119"	401.111923	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+NH4"	18.033823
"339770"	392.5986495	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+H+NH4"	19.041099
"725266"	584.1376995	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+H+NH4"	19.041099
"1481639"	201.0595995	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H+NH4"	19.041099
"399225"	789.145418	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+Na"	22.989218
"767875"	1172.223518	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+Na"	22.989218
"1614887"	406.067318	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Na"	22.989218
"324560"	395.076347	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+H+Na"	23.996494
"720264"	586.615397	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+H+Na"	23.996494
"1475425"	203.537297	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H+Na"	23.996494
"1061132"	136.02729	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2H+Na"	25.00377
"1269373"	416.111586	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+CH3OH+H"	33.033486
"385764"	805.119358	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+K"	38.963158
"745666"	1188.197458	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+K"	38.963158
"1543347"	422.041258	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+K"	38.963158
"301983"	403.063317	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+H+K"	39.970434
"698411"	594.602367	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+H+K"	39.970434
"1454420"	211.524267	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H+K"	39.970434
"239011"	808.190026	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+ACN+H"	42.033826
"1215729"	425.111926	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+ACN+H"	42.033826
"1205078"	213.059601	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+ACN+2H"	43.041102
"199772"	811.12736	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+2Na-H"	44.97116
"639694"	1194.20546	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+2Na-H"	44.97116
"1132144"	428.04926	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2Na-H"	44.97116
"175187"	406.067318	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+2Na"	45.978436
"615116"	597.606368	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+2Na"	45.978436
"1123003"	214.528268	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2Na"	45.978436
"1402153"	143.354604	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H+2Na"	46.985712
"1437557"	430.090846	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H+HCOOH"	47.012746
"231624"	411.10034	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+3H2O+2H"	56.04448
"1514220"	444.14289	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+IsoProp+H"	61.06479
"417188"	414.054288	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+Na+K"	61.952376
"781098"	605.593338	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+Na+K"	61.952376
"1677065"	222.515238	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Na+K"	61.952376
"263586"	830.171968	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+ACN+Na"	64.015768
"1239574"	447.093868	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+ACN+Na"	64.015768
"1718257"	447.117393	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+NH4+HCOOH"	64.039293
"1183614"	150.681918	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+3Na"	68.967654
"1656786"	452.072788	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Na+HCOOH"	68.994688
"162552"	843.07524	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+2K-H"	76.91904
"604304"	1226.15334	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+2K-H"	76.91904
"1089906"	459.99714	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2K-H"	76.91904
"148909"	422.041258	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"2M+2K"	77.926316
"589564"	613.580308	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"3M+2K"	77.926316
"1076263"	230.502208	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2K"	77.926316
"1106192"	462.011692	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2K+H"	78.933592
"1342577"	462.099307	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+DMSO+H"	79.021207
"1014384"	466.138476	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2ACN+H"	83.060376
"1530323"	467.132108	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+IsoProp+Na+H"	84.054008
"993490"	233.572876	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+2ACN+2H"	84.067652
"1592369"	468.046728	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+K+HCOOH"	84.968628
"1422404"	498.078238	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+H+CF3COOH"	115.000138
"1160956"	254.086151	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+3ACN+2H"	125.094202
"1707711"	515.104785	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+NH4+CF3COOH"	132.026685
"1644456"	520.06018	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+Na+CF3COOH"	136.98208
"1579013"	536.03412	"C11316"	"Tetraphenylarsonium"	"C24H20As"	"383.0781"	"M+K+CF3COOH"	152.95602
"806099"	513.2587	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M"	0
"986190"	494.24031	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-H2O-H"	-19.01839
"68965"	341.165190666667	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M-3H"	-3.021828
"510717"	512.251424	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M-3H"	-3.021828
"890706"	170.078957333333	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-3H"	-3.021828
"14509"	512.251424	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M-2H"	-2.014552
"453097"	768.880774	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M-2H"	-2.014552
"831384"	255.622074	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-2H"	-2.014552
"91743"	1025.510124	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M-H"	-1.007276
"527293"	1538.768824	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M-H"	-1.007276
"904002"	512.251424	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-H"	-1.007276
"57282"	1042.536671	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M-2H+NH4"	16.019271
"496842"	1555.795371	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M-2H+NH4"	16.019271
"878172"	529.277971	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-2H+NH4"	16.019271
"46196"	1047.492066	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M-2H+Na"	20.974666
"486119"	1560.750766	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M-2H+Na"	20.974666
"863067"	534.233366	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-2H+Na"	20.974666
"1628346"	534.233366	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Na-2H"	20.974666
"101601"	530.239763	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M-H+Cl"	33.962126
"545533"	786.869113	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M-H+Cl"	33.962126
"938691"	273.610413	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-H+Cl"	33.962126
"279071"	1061.486802	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+Cl"	34.969402
"672585"	1574.745502	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+Cl"	34.969402
"1281342"	548.228102	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Cl"	34.969402
"24990"	1063.466006	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M-2H+K"	36.948606
"467831"	1576.724706	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M-2H+K"	36.948606
"842351"	550.207306	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-2H+K"	36.948606
"1560370"	550.207306	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+K-2H"	36.948606
"943669"	558.256894	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-H+HCOOH"	44.998194
"362574"	1071.515601	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+HCOOH-H"	44.998201
"348887"	1085.531251	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+Hac-H"	59.013851
"1495532"	572.272551	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Hac-H"	59.013851
"963448"	580.238851	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-H+NaCOOH"	66.980151
"111383"	548.228102	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+2Cl"	69.938804
"553009"	804.857452	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+2Cl"	69.938804
"1022040"	291.598752	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2Cl"	69.938804
"1247950"	592.177585	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Br"	78.918885
"1318060"	594.233572	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Cl+HCOOH"	80.974872
"1333371"	616.215529	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Cl+NaCOOH"	102.956829
"925161"	626.244286	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M-H+CF3COOH"	112.985586
"1302230"	662.220964	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Cl+CF3COOH"	148.962264
"1382227"	478.246024	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H-2H2O"	-35.012676
"1398432"	496.256	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H-H2O"	-17.0027
"296855"	1027.524676	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+H"	1.007276
"681257"	1540.783376	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+H"	1.007276
"1364173"	514.265976	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H"	1.007276
"139250"	514.265976	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+2H"	2.014552
"580875"	770.895326	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+2H"	2.014552
"1047972"	257.636626	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2H"	2.014552
"215505"	343.179742666667	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+3H"	3.021828
"652879"	514.265976	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+3H"	3.021828
"1174652"	172.093509333333	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+3H"	3.021828
"435371"	1044.551223	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+NH4"	18.033823
"791991"	1557.809923	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+NH4"	18.033823
"1687229"	531.292523	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+NH4"	18.033823
"336601"	522.7792495	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+H+NH4"	19.041099
"725740"	779.4085995	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+H+NH4"	19.041099
"1485028"	266.1498995	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H+NH4"	19.041099
"401520"	1049.506618	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+Na"	22.989218
"765441"	1562.765318	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+Na"	22.989218
"1616091"	536.247918	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Na"	22.989218
"329292"	525.256947	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+H+Na"	23.996494
"721103"	781.886297	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+H+Na"	23.996494
"1473100"	268.627597	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H+Na"	23.996494
"1067203"	179.420823333333	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2H+Na"	25.00377
"1271311"	546.292186	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+CH3OH+H"	33.033486
"390248"	1065.480558	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+K"	38.963158
"751244"	1578.739258	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+K"	38.963158
"1547828"	552.221858	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+K"	38.963158
"311201"	533.243917	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+H+K"	39.970434
"697427"	789.873267	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+H+K"	39.970434
"1450155"	276.614567	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H+K"	39.970434
"240213"	1068.551226	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+ACN+H"	42.033826
"1213651"	555.292526	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+ACN+H"	42.033826
"1199721"	278.149901	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+ACN+2H"	43.041102
"195872"	1071.48856	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+2Na-H"	44.97116
"629601"	1584.74726	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+2Na-H"	44.97116
"1133837"	558.22986	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2Na-H"	44.97116
"178953"	536.247918	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+2Na"	45.978436
"626172"	792.877268	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+2Na"	45.978436
"1125302"	279.618568	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2Na"	45.978436
"1406645"	186.748137333333	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H+2Na"	46.985712
"1438759"	560.271446	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H+HCOOH"	47.012746
"229549"	541.28094	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+3H2O+2H"	56.04448
"1518705"	574.32349	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+IsoProp+H"	61.06479
"420577"	544.234888	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+Na+K"	61.952376
"784124"	800.864238	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+Na+K"	61.952376
"1676811"	287.605538	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Na+K"	61.952376
"265883"	1090.533168	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+ACN+Na"	64.015768
"1234949"	577.274468	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+ACN+Na"	64.015768
"1722743"	577.297993	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+NH4+HCOOH"	64.039293
"1183723"	194.075451333333	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+3Na"	68.967654
"1655803"	582.253388	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Na+HCOOH"	68.994688
"161571"	1103.43644	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+2K-H"	76.91904
"603318"	1616.69514	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+2K-H"	76.91904
"1090018"	590.17774	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2K-H"	76.91904
"146832"	552.221858	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"2M+2K"	77.926316
"585299"	808.851208	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"3M+2K"	77.926316
"1075281"	295.592508	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2K"	77.926316
"1107397"	592.192292	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2K+H"	78.933592
"1343780"	592.279907	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+DMSO+H"	79.021207
"1012308"	596.319076	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2ACN+H"	83.060376
"1530436"	597.312708	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+IsoProp+Na+H"	84.054008
"997977"	298.663176	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+2ACN+2H"	84.067652
"1594670"	598.227328	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+K+HCOOH"	84.968628
"1420330"	628.258838	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+H+CF3COOH"	115.000138
"1157178"	319.176451	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+3ACN+2H"	125.094202
"1706731"	645.285385	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+NH4+CF3COOH"	132.026685
"1644568"	650.24078	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+Na+CF3COOH"	136.98208
"1579124"	666.21472	"C11318"	"DAMGO;(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin;Tyr-D-Ala-Gly-MePhe-Gly-ol"	"C26H35N5O6"	"513.2587"	"M+K+CF3COOH"	152.95602
"816050"	228.0019	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M"	0
"983021"	208.98351	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-H2O-H"	-19.01839
"65795"	150.993990666667	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M-3H"	-3.021828
"510828"	226.994624	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M-3H"	-3.021828
"886442"	74.9933573333333	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-3H"	-3.021828
"10488"	226.994624	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M-2H"	-2.014552
"451142"	340.995574	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M-2H"	-2.014552
"827848"	112.993674	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-2H"	-2.014552
"90026"	454.996524	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M-H"	-1.007276
"524124"	682.998424	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M-H"	-1.007276
"904112"	226.994624	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-H"	-1.007276
"54112"	472.023071	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M-2H+NH4"	16.019271
"490391"	700.024971	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M-2H+NH4"	16.019271
"871477"	244.021171	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-2H+NH4"	16.019271
"42658"	476.978466	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M-2H+Na"	20.974666
"480030"	704.980366	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M-2H+Na"	20.974666
"854915"	248.976566	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-2H+Na"	20.974666
"1628456"	248.976566	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Na-2H"	20.974666
"100617"	244.982963	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M-H+Cl"	33.962126
"537987"	358.983913	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M-H+Cl"	33.962126
"941963"	130.982013	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-H+Cl"	33.962126
"281978"	490.973202	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+Cl"	34.969402
"675522"	718.975102	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+Cl"	34.969402
"1286555"	262.971302	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Cl"	34.969402
"30567"	492.952406	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M-2H+K"	36.948606
"470129"	720.954306	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M-2H+K"	36.948606
"844648"	264.950506	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-2H+K"	36.948606
"1564853"	264.950506	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+K-2H"	36.948606
"945448"	273.000094	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-H+HCOOH"	44.998194
"363662"	501.002001	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+HCOOH-H"	44.998201
"346084"	515.017651	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+Hac-H"	59.013851
"1493698"	287.015751	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Hac-H"	59.013851
"959667"	294.982051	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-H+NaCOOH"	66.980151
"110997"	262.971302	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+2Cl"	69.938804
"553119"	376.972252	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+2Cl"	69.938804
"1021548"	148.970352	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2Cl"	69.938804
"1248059"	306.920785	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Br"	78.918885
"1315986"	308.976772	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Cl+HCOOH"	80.974872
"1335601"	330.958729	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Cl+NaCOOH"	102.956829
"924906"	340.987486	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M-H+CF3COOH"	112.985586
"1302340"	376.964164	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Cl+CF3COOH"	148.962264
"1382339"	192.989224	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H-2H2O"	-35.012676
"1394730"	210.9992	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H-H2O"	-17.0027
"298059"	457.011076	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+H"	1.007276
"683554"	685.012976	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+H"	1.007276
"1365011"	229.009176	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H"	1.007276
"139358"	229.009176	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+2H"	2.014552
"580622"	343.010126	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+2H"	2.014552
"1048811"	115.008226	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2H"	2.014552
"212335"	153.008542666667	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+3H"	3.021828
"651895"	229.009176	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+3H"	3.021828
"1175488"	77.0079093333333	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+3H"	3.021828
"435480"	474.037623	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+NH4"	18.033823
"794288"	702.039523	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+NH4"	18.033823
"1690619"	246.035723	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+NH4"	18.033823
"336711"	237.5224495	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+H+NH4"	19.041099
"728037"	351.5233995	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+H+NH4"	19.041099
"1485138"	123.5214995	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H+NH4"	19.041099
"399443"	478.993018	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+Na"	22.989218
"764822"	706.994918	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+Na"	22.989218
"1612920"	250.991118	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Na"	22.989218
"329604"	240.000147	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+H+Na"	23.996494
"722552"	354.001097	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+H+Na"	23.996494
"1474667"	125.999197	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H+Na"	23.996494
"1063540"	84.3352233333333	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2H+Na"	25.00377
"1272678"	261.035386	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+CH3OH+H"	33.033486
"391451"	494.966958	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+K"	38.963158
"746981"	722.968858	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+K"	38.963158
"1553406"	266.965058	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+K"	38.963158
"312769"	247.987117	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+H+K"	39.970434
"698630"	361.988067	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+H+K"	39.970434
"1453545"	133.986167	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H+K"	39.970434
"243240"	498.037626	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+ACN+H"	42.033826
"1220322"	270.035726	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+ACN+H"	42.033826
"1205298"	135.521501	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+ACN+2H"	43.041102
"200356"	500.97496	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+2Na-H"	44.97116
"632994"	728.97686	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+2Na-H"	44.97116
"1135040"	272.97306	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2Na-H"	44.97116
"176876"	250.991118	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+2Na"	45.978436
"627011"	364.992068	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+2Na"	45.978436
"1123225"	136.990168	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2Na"	45.978436
"1403475"	91.6625373333333	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H+2Na"	46.985712
"1441056"	275.014646	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H+HCOOH"	47.012746
"230754"	256.02414	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+3H2O+2H"	56.04448
"1515535"	289.06669	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+IsoProp+H"	61.06479
"420688"	258.978088	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+Na+K"	61.952376
"783506"	372.979038	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+Na+K"	61.952376
"1678382"	144.977138	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Na+K"	61.952376
"264903"	520.019568	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+ACN+Na"	64.015768
"1235059"	292.017668	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+ACN+Na"	64.015768
"1721760"	292.041193	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+NH4+HCOOH"	64.039293
"1183834"	98.9898513333333	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+3Na"	68.967654
"1659192"	296.996588	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Na+HCOOH"	68.994688
"160588"	532.92284	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+2K-H"	76.91904
"603429"	760.92474	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+2K-H"	76.91904
"1090127"	304.92094	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2K-H"	76.91904
"149129"	266.965058	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"2M+2K"	77.926316
"587597"	380.966008	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"3M+2K"	77.926316
"1074299"	152.964108	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2K"	77.926316
"1108602"	306.935492	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2K+H"	78.933592
"1342798"	307.023107	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+DMSO+H"	79.021207
"1013513"	311.062276	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2ACN+H"	83.060376
"1531640"	312.055908	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+IsoProp+Na+H"	84.054008
"996994"	156.034776	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+2ACN+2H"	84.067652
"1595873"	312.970528	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+K+HCOOH"	84.968628
"1425908"	343.002038	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+H+CF3COOH"	115.000138
"1157288"	176.548051	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+3ACN+2H"	125.094202
"1704654"	360.028585	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+NH4+CF3COOH"	132.026685
"1647958"	364.98398	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+Na+CF3COOH"	136.98208
"1579234"	380.95792	"C11319"	"35-Dinitrosalicylic acid"	"C7H4N2O7"	"228.0019"	"M+K+CF3COOH"	152.95602
"806319"	168.0666	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M"	0
"976570"	149.04821	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-H2O-H"	-19.01839
"64811"	111.037124	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M-3H"	-3.021828
"503761"	167.059324	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M-3H"	-3.021828
"885459"	55.014924	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-3H"	-3.021828
"10598"	167.059324	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M-2H"	-2.014552
"451251"	251.092624	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M-2H"	-2.014552
"826865"	83.026024	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-2H"	-2.014552
"90136"	335.125924	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M-H"	-1.007276
"523133"	503.192524	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M-H"	-1.007276
"898755"	167.059324	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-H"	-1.007276
"52034"	352.152471	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M-2H+NH4"	16.019271
"491230"	520.219071	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M-2H+NH4"	16.019271
"871587"	184.085871	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-2H+NH4"	16.019271
"42768"	357.107866	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M-2H+Na"	20.974666
"479047"	525.174466	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M-2H+Na"	20.974666
"857941"	189.041266	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-2H+Na"	20.974666
"1625650"	189.041266	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Na-2H"	20.974666
"99634"	185.047663	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M-H+Cl"	33.962126
"539192"	269.080963	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M-H+Cl"	33.962126
"942441"	101.014363	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-H+Cl"	33.962126
"282412"	371.102602	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+Cl"	34.969402
"673171"	539.169202	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+Cl"	34.969402
"1284843"	203.036002	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Cl"	34.969402
"29584"	373.081806	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M-2H+K"	36.948606
"470604"	541.148406	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M-2H+K"	36.948606
"844758"	205.015206	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-2H+K"	36.948606
"1562777"	205.015206	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+K-2H"	36.948606
"946288"	213.064794	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-H+HCOOH"	44.998194
"362436"	381.131401	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+HCOOH-H"	44.998201
"346195"	395.147051	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+Hac-H"	59.013851
"1493565"	227.080451	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Hac-H"	59.013851
"959534"	235.046751	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-H+NaCOOH"	66.980151
"110501"	203.036002	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+2Cl"	69.938804
"550351"	287.069302	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+2Cl"	69.938804
"1022027"	119.002702	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2Cl"	69.938804
"1242701"	246.985485	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Br"	78.918885
"1318648"	249.041472	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Cl+HCOOH"	80.974872
"1335013"	271.023429	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Cl+NaCOOH"	102.956829
"924288"	281.052186	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M-H+CF3COOH"	112.985586
"1302817"	317.028864	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Cl+CF3COOH"	148.962264
"1382682"	133.053924	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H-2H2O"	-35.012676
"1396299"	151.0639	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H-H2O"	-17.0027
"297441"	337.140476	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+H"	1.007276
"683664"	505.207076	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+H"	1.007276
"1359651"	169.073876	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H"	1.007276
"139102"	169.073876	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+2H"	2.014552
"578300"	253.107176	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+2H"	2.014552
"1047826"	85.040576	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2H"	2.014552
"211352"	113.051676	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+3H"	3.021828
"652005"	169.073876	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+3H"	3.021828
"1175964"	57.029476	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+3H"	3.021828
"435590"	354.167023	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+NH4"	18.033823
"794398"	522.233623	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+NH4"	18.033823
"1690729"	186.100423	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+NH4"	18.033823
"336821"	177.5871495	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+H+NH4"	19.041099
"727054"	261.6204495	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+H+NH4"	19.041099
"1484155"	93.5538495	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H+NH4"	19.041099
"401740"	359.122418	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+Na"	22.989218
"763838"	527.189018	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+Na"	22.989218
"1611937"	191.055818	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Na"	22.989218
"329351"	180.064847	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+H+Na"	23.996494
"722503"	264.098147	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+H+Na"	23.996494
"1473683"	96.031547	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H+Na"	23.996494
"1063650"	64.35679	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2H+Na"	25.00377
"1270799"	201.100086	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+CH3OH+H"	33.033486
"387187"	375.096358	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+K"	38.963158
"753450"	543.162958	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+K"	38.963158
"1553152"	207.029758	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+K"	38.963158
"310691"	188.051817	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+H+K"	39.970434
"703114"	272.085117	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+H+K"	39.970434
"1455842"	104.018517	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H+K"	39.970434
"245537"	378.167026	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+ACN+H"	42.033826
"1218246"	210.100426	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+ACN+H"	42.033826
"1197025"	105.553851	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+ACN+2H"	43.041102
"197186"	381.10436	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+2Na-H"	44.97116
"632740"	549.17096	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+2Na-H"	44.97116
"1135152"	213.03776	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2Na-H"	44.97116
"176986"	191.055818	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+2Na"	45.978436
"628135"	275.089118	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+2Na"	45.978436
"1124428"	107.022518	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2Na"	45.978436
"1404678"	71.684104	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H+2Na"	46.985712
"1441167"	215.079346	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H+HCOOH"	47.012746
"231957"	196.08884	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+3H2O+2H"	56.04448
"1517832"	229.13139	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+IsoProp+H"	61.06479
"423351"	199.042788	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+Na+K"	61.952376
"785565"	283.076088	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+Na+K"	61.952376
"1679587"	115.009488	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Na+K"	61.952376
"265746"	400.148968	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+ACN+Na"	64.015768
"1237356"	232.082368	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+ACN+Na"	64.015768
"1722963"	232.105893	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+NH4+HCOOH"	64.039293
"1187223"	79.011418	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+3Na"	68.967654
"1657115"	237.061288	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Na+HCOOH"	68.994688
"165070"	413.05224	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+2K-H"	76.91904
"606817"	581.11884	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+2K-H"	76.91904
"1088049"	244.98564	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2K-H"	76.91904
"148146"	207.029758	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"2M+2K"	77.926316
"587707"	291.063058	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"3M+2K"	77.926316
"1076596"	122.996458	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2K"	77.926316
"1109805"	247.000192	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2K+H"	78.933592
"1345094"	247.087807	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+DMSO+H"	79.021207
"1013622"	251.126976	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2ACN+H"	83.060376
"1529563"	252.120608	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+IsoProp+Na+H"	84.054008
"998195"	126.067126	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+2ACN+2H"	84.067652
"1595983"	253.035228	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+K+HCOOH"	84.968628
"1426018"	283.066738	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+H+CF3COOH"	115.000138
"1157398"	146.580401	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+3ACN+2H"	125.094202
"1704764"	300.093285	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+NH4+CF3COOH"	132.026685
"1648068"	305.04868	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+Na+CF3COOH"	136.98208
"1579344"	321.02262	"C11320"	"D-Ornithine hydrochloride"	"C5H12N2O2HCl"	"168.0666"	"M+K+CF3COOH"	152.95602
"806429"	614.3965	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M"	0
"976680"	595.37811	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-H2O-H"	-19.01839
"65285"	408.590390666667	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M-3H"	-3.021828
"504842"	613.389224	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M-3H"	-3.021828
"887756"	203.791557333333	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-3H"	-3.021828
"13746"	613.389224	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M-2H"	-2.014552
"451362"	920.587474	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M-2H"	-2.014552
"829161"	306.190974	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-2H"	-2.014552
"91218"	1227.785724	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M-H"	-1.007276
"520691"	1842.182224	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M-H"	-1.007276
"904330"	613.389224	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-H"	-1.007276
"54332"	1244.812271	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M-2H+NH4"	16.019271
"492433"	1859.208771	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M-2H+NH4"	16.019271
"869510"	630.415771	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-2H+NH4"	16.019271
"41784"	1249.767666	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M-2H+Na"	20.974666
"480250"	1864.164166	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M-2H+Na"	20.974666
"852219"	635.371166	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-2H+Na"	20.974666
"1622481"	635.371166	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Na-2H"	20.974666
"103024"	631.377563	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M-H+Cl"	33.962126
"539302"	938.575813	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M-H+Cl"	33.962126
"941211"	324.179313	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-H+Cl"	33.962126
"281225"	1263.762402	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+Cl"	34.969402
"674374"	1878.158902	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+Cl"	34.969402
"1286049"	649.365902	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Cl"	34.969402
"29694"	1265.741606	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M-2H+K"	36.948606
"469986"	1880.138106	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M-2H+K"	36.948606
"847785"	651.345106	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-2H+K"	36.948606
"1566168"	651.345106	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+K-2H"	36.948606
"947491"	659.394694	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-H+HCOOH"	44.998194
"364611"	1273.791201	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+HCOOH-H"	44.998201
"348492"	1287.806851	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+Hac-H"	59.013851
"1494407"	673.410351	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Hac-H"	59.013851
"962682"	681.376651	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-H+NaCOOH"	66.980151
"110977"	649.365902	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+2Cl"	69.938804
"552244"	956.564152	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+2Cl"	69.938804
"1023230"	342.167652	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2Cl"	69.938804
"1243174"	693.315385	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Br"	78.918885
"1318757"	695.371372	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Cl+HCOOH"	80.974872
"1329325"	717.353329	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Cl+NaCOOH"	102.956829
"924396"	727.382086	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M-H+CF3COOH"	112.985586
"1302196"	763.358764	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Cl+CF3COOH"	148.962264
"1380361"	579.383824	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H-2H2O"	-35.012676
"1396409"	597.3938	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H-H2O"	-17.0027
"296822"	1229.800276	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+H"	1.007276
"685962"	1844.196776	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+H"	1.007276
"1364501"	615.403776	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H"	1.007276
"141320"	615.403776	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+2H"	2.014552
"580476"	922.602026	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+2H"	2.014552
"1045386"	308.205526	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2H"	2.014552
"210369"	410.604942666667	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+3H"	3.021828
"651022"	615.403776	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+3H"	3.021828
"1174980"	205.806109333333	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+3H"	3.021828
"434607"	1246.826823	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+NH4"	18.033823
"791228"	1861.223323	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+NH4"	18.033823
"1689746"	632.430323	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+NH4"	18.033823
"336931"	623.9170495	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+H+NH4"	19.041099
"724249"	931.1152995	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+H+NH4"	19.041099
"1482079"	316.7187995	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H+NH4"	19.041099
"398571"	1251.782218	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+Na"	22.989218
"766135"	1866.178718	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+Na"	22.989218
"1612047"	637.385718	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Na"	22.989218
"328285"	626.394747	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+H+Na"	23.996494
"721315"	933.592997	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+H+Na"	23.996494
"1471606"	319.196497	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H+Na"	23.996494
"1062667"	213.133423333333	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2H+Na"	25.00377
"1271760"	647.429986	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+CH3OH+H"	33.033486
"388390"	1267.756158	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+K"	38.963158
"751573"	1882.152658	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+K"	38.963158
"1548157"	653.359658	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+K"	38.963158
"307521"	634.381717	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+H+K"	39.970434
"698850"	941.579967	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+H+K"	39.970434
"1455952"	327.183467	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H+K"	39.970434
"243460"	1270.826826	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+ACN+H"	42.033826
"1213982"	656.430326	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+ACN+H"	42.033826
"1197865"	328.718801	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+ACN+2H"	43.041102
"197297"	1273.76416	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+2Na-H"	44.97116
"632486"	1888.16066	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+2Na-H"	44.97116
"1134898"	659.36766	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2Na-H"	44.97116
"176003"	637.385718	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+2Na"	45.978436
"617751"	944.583968	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+2Na"	45.978436
"1128913"	330.187468	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2Na"	45.978436
"1409162"	220.460737333333	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H+2Na"	46.985712
"1442370"	661.409246	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H+HCOOH"	47.012746
"232067"	642.41874	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+3H2O+2H"	56.04448
"1523046"	675.46129	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+IsoProp+H"	61.06479
"422732"	645.372688	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+Na+K"	61.952376
"785105"	952.570938	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+Na+K"	61.952376
"1679334"	338.174438	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Na+K"	61.952376
"266219"	1292.808768	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+ACN+Na"	64.015768
"1236373"	678.412268	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+ACN+Na"	64.015768
"1721980"	678.435793	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+NH4+HCOOH"	64.039293
"1185147"	227.788051333333	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+3Na"	68.967654
"1653945"	683.391188	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Na+HCOOH"	68.994688
"160806"	1305.71204	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+2K-H"	76.91904
"604739"	1920.10854	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+2K-H"	76.91904
"1088160"	691.31554	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2K-H"	76.91904
"149350"	653.359658	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"2M+2K"	77.926316
"585630"	960.557908	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"3M+2K"	77.926316
"1075611"	346.161408	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2K"	77.926316
"1105540"	693.330092	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2K+H"	78.933592
"1341924"	693.417707	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+DMSO+H"	79.021207
"1012638"	697.456876	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2ACN+H"	83.060376
"1530766"	698.450508	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+IsoProp+Na+H"	84.054008
"998306"	349.232076	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+2ACN+2H"	84.067652
"1594999"	699.365128	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+K+HCOOH"	84.968628
"1428314"	729.396638	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+H+CF3COOH"	115.000138
"1156415"	369.745351	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+3ACN+2H"	125.094202
"1707061"	746.423185	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+NH4+CF3COOH"	132.026685
"1648178"	751.37858	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+Na+CF3COOH"	136.98208
"1579454"	767.35252	"C11321"	"3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;CHAPS"	"C32H58N2O7S"	"614.3965"	"M+K+CF3COOH"	152.95602
"806539"	321.8846	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M"	0
"976790"	302.86621	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-H2O-H"	-19.01839
"65031"	213.582457333333	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M-3H"	-3.021828
"504589"	320.877324	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M-3H"	-3.021828
"880931"	106.287590666667	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-3H"	-3.021828
"9725"	320.877324	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M-2H"	-2.014552
"451472"	481.819624	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M-2H"	-2.014552
"824896"	159.935024	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-2H"	-2.014552
"84887"	642.761924	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M-H"	-1.007276
"522259"	964.646524	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M-H"	-1.007276
"904440"	320.877324	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-H"	-1.007276
"54439"	659.788471	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M-2H+NH4"	16.019271
"491450"	981.673071	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M-2H+NH4"	16.019271
"869620"	337.903871	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-2H+NH4"	16.019271
"39708"	664.743866	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M-2H+Na"	20.974666
"479267"	986.628466	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M-2H+Na"	20.974666
"849777"	342.859266	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-2H+Na"	20.974666
"1618982"	342.859266	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Na-2H"	20.974666
"102041"	338.865663	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M-H+Cl"	33.962126
"541599"	499.807963	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M-H+Cl"	33.962126
"941321"	177.923363	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-H+Cl"	33.962126
"280241"	678.738602	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+Cl"	34.969402
"673636"	1000.623202	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+Cl"	34.969402
"1286034"	356.854002	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Cl"	34.969402
"29683"	680.717806	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M-2H+K"	36.948606
"469731"	1002.602406	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M-2H+K"	36.948606
"841698"	358.833206	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-2H+K"	36.948606
"1562998"	358.833206	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+K-2H"	36.948606
"949788"	366.882794	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-H+HCOOH"	44.998194
"363628"	688.767401	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+HCOOH-H"	44.998201
"348602"	702.783051	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+Hac-H"	59.013851
"1493302"	380.898451	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Hac-H"	59.013851
"961699"	388.864751	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-H+NaCOOH"	66.980151
"110966"	356.854002	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+2Cl"	69.938804
"551251"	517.796302	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+2Cl"	69.938804
"1022974"	195.911702	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2Cl"	69.938804
"1244014"	400.803485	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Br"	78.918885
"1317410"	402.859472	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Cl+HCOOH"	80.974872
"1328342"	424.841429	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Cl+NaCOOH"	102.956829
"923414"	434.870186	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M-H+CF3COOH"	112.985586
"1300850"	470.846864	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Cl+CF3COOH"	148.962264
"1380471"	286.871924	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H-2H2O"	-35.012676
"1397247"	304.8819	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H-H2O"	-17.0027
"296203"	644.776476	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+H"	1.007276
"683885"	966.661076	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+H"	1.007276
"1363881"	322.891876	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H"	1.007276
"138228"	322.891876	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+2H"	2.014552
"577425"	483.834176	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+2H"	2.014552
"1043673"	161.949576	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2H"	2.014552
"210479"	215.597009333333	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+3H"	3.021828
"648216"	322.891876	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+3H"	3.021828
"1171445"	108.302142666667	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+3H"	3.021828
"435812"	661.803023	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+NH4"	18.033823
"789151"	983.687623	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+NH4"	18.033823
"1684389"	339.918423	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+NH4"	18.033823
"339229"	331.4051495	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+H+NH4"	19.041099
"724359"	492.3474495	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+H+NH4"	19.041099
"1482189"	170.4628495	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H+NH4"	19.041099
"398681"	666.758418	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+Na"	22.989218
"764059"	988.643018	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+Na"	22.989218
"1612157"	344.873818	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Na"	22.989218
"329489"	333.882847	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+H+Na"	23.996494
"722397"	494.825147	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+H+Na"	23.996494
"1471716"	172.940547	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H+Na"	23.996494
"1062777"	115.629456666667	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2H+Na"	25.00377
"1272237"	354.918086	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+CH3OH+H"	33.033486
"386313"	682.732358	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+K"	38.963158
"750590"	1004.616958	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+K"	38.963158
"1547174"	360.847758	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+K"	38.963158
"307631"	341.869817	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+H+K"	39.970434
"701146"	502.812117	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+H+K"	39.970434
"1456062"	180.927517	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H+K"	39.970434
"243570"	685.803026	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+ACN+H"	42.033826
"1213362"	363.918426	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+ACN+H"	42.033826
"1196515"	182.462851	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+ACN+2H"	43.041102
"197405"	688.74036	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+2Na-H"	44.97116
"632596"	1010.62496	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+2Na-H"	44.97116
"1133913"	366.85576	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2Na-H"	44.97116
"176113"	344.873818	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+2Na"	45.978436
"613122"	505.816118	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+2Na"	45.978436
"1124650"	183.931518	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2Na"	45.978436
"1410365"	122.956770666667	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H+2Na"	46.985712
"1441387"	368.897346	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H+HCOOH"	47.012746
"233270"	349.90684	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+3H2O+2H"	56.04448
"1521333"	382.94939	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+IsoProp+H"	61.06479
"421386"	352.860788	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+Na+K"	61.952376
"781652"	513.803088	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+Na+K"	61.952376
"1679077"	191.918488	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Na+K"	61.952376
"266328"	707.784968	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+ACN+Na"	64.015768
"1234296"	385.900368	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+ACN+Na"	64.015768
"1722090"	385.923893	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+NH4+HCOOH"	64.039293
"1185257"	130.284084666667	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+3Na"	68.967654
"1656242"	390.879288	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Na+HCOOH"	68.994688
"162009"	720.68824	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+2K-H"	76.91904
"601570"	1042.57284	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+2K-H"	76.91904
"1088270"	398.80364	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2K-H"	76.91904
"146179"	360.847758	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"2M+2K"	77.926316
"585740"	521.790058	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"3M+2K"	77.926316
"1075721"	199.905458	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2K"	77.926316
"1103464"	400.818192	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2K+H"	78.933592
"1342034"	400.905807	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+DMSO+H"	79.021207
"1012748"	404.944976	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2ACN+H"	83.060376
"1531970"	405.938608	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+IsoProp+Na+H"	84.054008
"999509"	202.976126	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+2ACN+2H"	84.067652
"1596203"	406.853228	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+K+HCOOH"	84.968628
"1426237"	436.884738	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+H+CF3COOH"	115.000138
"1156525"	223.489401	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+3ACN+2H"	125.094202
"1707171"	453.911285	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+NH4+CF3COOH"	132.026685
"1648288"	458.86668	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+Na+CF3COOH"	136.98208
"1579564"	474.84062	"C11322"	"4567-Tetrachloro-2-trifluoromethylbenzimidazole"	"C8HCl4F3N2"	"321.8846"	"M+K+CF3COOH"	152.95602
"809929"	319.9661	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M"	0
"983461"	300.94771	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-H2O-H"	-19.01839
"71703"	212.303457333333	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M-3H"	-3.021828
"505792"	318.958824	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M-3H"	-3.021828
"881772"	105.648090666667	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-3H"	-3.021828
"1197"	318.958824	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M-2H"	-2.014552
"455310"	478.941874	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M-2H"	-2.014552
"831567"	158.975774	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-2H"	-2.014552
"87185"	638.924924	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M-H"	-1.007276
"524558"	958.891024	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M-H"	-1.007276
"906736"	318.958824	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-H"	-1.007276
"61109"	655.951471	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M-2H+NH4"	16.019271
"489737"	975.917571	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M-2H+NH4"	16.019271
"871916"	335.985371	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-2H+NH4"	16.019271
"43097"	660.906866	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M-2H+Na"	20.974666
"480470"	980.872966	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M-2H+Na"	20.974666
"850252"	340.940766	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-2H+Na"	20.974666
"1620875"	340.940766	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Na-2H"	20.974666
"105430"	336.947163	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M-H+Cl"	33.962126
"542802"	496.930213	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M-H+Cl"	33.962126
"940338"	176.964113	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-H+Cl"	33.962126
"277072"	674.901602	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+Cl"	34.969402
"673502"	994.867702	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+Cl"	34.969402
"1287119"	354.935502	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Cl"	34.969402
"29794"	676.880806	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M-2H+K"	36.948606
"468380"	996.846906	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M-2H+K"	36.948606
"847641"	356.914706	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-2H+K"	36.948606
"1565295"	356.914706	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+K-2H"	36.948606
"948805"	364.964294	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-H+HCOOH"	44.998194
"365924"	684.930401	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+HCOOH-H"	44.998201
"350901"	698.946051	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+Hac-H"	59.013851
"1493535"	378.979951	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Hac-H"	59.013851
"961809"	386.946251	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-H+NaCOOH"	66.980151
"111074"	354.935502	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+2Cl"	69.938804
"550998"	514.918552	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+2Cl"	69.938804
"1022355"	194.952452	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2Cl"	69.938804
"1243394"	398.884985	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Br"	78.918885
"1318248"	400.940972	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Cl+HCOOH"	80.974872
"1328452"	422.922929	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Cl+NaCOOH"	102.956829
"917323"	432.951686	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M-H+CF3COOH"	112.985586
"1301322"	468.928364	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Cl+CF3COOH"	148.962264
"1381435"	284.953424	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H-2H2O"	-35.012676
"1397725"	302.9634	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H-H2O"	-17.0027
"297893"	640.939476	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+H"	1.007276
"680715"	960.905576	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+H"	1.007276
"1363626"	320.973376	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H"	1.007276
"136151"	320.973376	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+2H"	2.014552
"577170"	480.956426	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+2H"	2.014552
"1042689"	160.990326	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2H"	2.014552
"211682"	214.318009333333	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+3H"	3.021828
"647961"	320.973376	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+3H"	3.021828
"1170461"	107.662642666667	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+3H"	3.021828
"432641"	657.966023	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+NH4"	18.033823
"791448"	977.932123	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+NH4"	18.033823
"1689966"	337.999923	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+NH4"	18.033823
"339339"	329.4866495	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+H+NH4"	19.041099
"724833"	489.4696995	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+H+NH4"	19.041099
"1479383"	169.5035995	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H+NH4"	19.041099
"395875"	662.921418	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+Na"	22.989218
"766356"	982.887518	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+Na"	22.989218
"1612267"	342.955318	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Na"	22.989218
"328141"	331.964347	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+H+Na"	23.996494
"721779"	491.947397	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+H+Na"	23.996494
"1469639"	171.981297	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H+Na"	23.996494
"1066167"	114.989956666667	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2H+Na"	25.00377
"1268942"	352.999586	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+CH3OH+H"	33.033486
"383140"	678.895358	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+K"	38.963158
"744138"	998.861458	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+K"	38.963158
"1547285"	358.929258	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+K"	38.963158
"305553"	339.951317	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+H+K"	39.970434
"696881"	499.934367	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+H+K"	39.970434
"1458360"	179.968267	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H+K"	39.970434
"246960"	681.966026	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+ACN+H"	42.033826
"1217482"	361.999926	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+ACN+H"	42.033826
"1204646"	181.503601	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+ACN+2H"	43.041102
"200795"	684.90336	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+2Na-H"	44.97116
"634893"	1004.86946	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+2Na-H"	44.97116
"1135115"	364.93726	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2Na-H"	44.97116
"177317"	342.955318	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+2Na"	45.978436
"615784"	502.938368	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+2Na"	45.978436
"1120385"	182.972268	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2Na"	45.978436
"1409019"	122.317270666667	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H+2Na"	46.985712
"1440770"	366.978846	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H+HCOOH"	47.012746
"233018"	347.98834	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+3H2O+2H"	56.04448
"1521444"	381.03089	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+IsoProp+H"	61.06479
"421861"	350.942288	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+Na+K"	61.952376
"785424"	510.925338	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+Na+K"	61.952376
"1678094"	190.959238	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Na+K"	61.952376
"266561"	703.947968	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+ACN+Na"	64.015768
"1234406"	383.981868	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+ACN+Na"	64.015768
"1722929"	384.005393	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+NH4+HCOOH"	64.039293
"1187554"	129.644584666667	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+3Na"	68.967654
"1656352"	388.960788	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Na+HCOOH"	68.994688
"161026"	716.85124	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+2K-H"	76.91904
"603866"	1036.81734	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+2K-H"	76.91904
"1088380"	396.88514	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2K-H"	76.91904
"147384"	358.929258	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"2M+2K"	77.926316
"586943"	518.912308	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"3M+2K"	77.926316
"1073645"	198.946208	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2K"	77.926316
"1110135"	398.899692	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2K+H"	78.933592
"1342146"	398.987307	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+DMSO+H"	79.021207
"1012860"	403.026476	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2ACN+H"	83.060376
"1530986"	404.020108	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+IsoProp+Na+H"	84.054008
"997434"	202.016876	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+2ACN+2H"	84.067652
"1591939"	404.934728	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+K+HCOOH"	84.968628
"1417600"	434.966238	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+H+CF3COOH"	115.000138
"1154448"	222.530151	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+3ACN+2H"	125.094202
"1704001"	451.992785	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+NH4+CF3COOH"	132.026685
"1648398"	456.94818	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+Na+CF3COOH"	136.98208
"1579674"	472.92212	"C11323"	"Chromotropic acid;45-Dihydroxynaphthalene-27-disulfonic acid"	"C10H8O8S2"	"319.9661"	"M+K+CF3COOH"	152.95602
"810039"	322.1205	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M"	0
"978103"	303.10211	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H2O-H"	-19.01839
"69626"	213.739724	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-3H"	-3.021828
"504809"	321.113224	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-3H"	-3.021828
"881518"	106.366224	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-3H"	-3.021828
"2279"	321.113224	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H"	-2.014552
"455597"	482.173474	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H"	-2.014552
"830584"	160.052974	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H"	-2.014552
"87295"	643.233724	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-H"	-1.007276
"524668"	965.354224	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-H"	-1.007276
"910126"	321.113224	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H"	-1.007276
"61219"	660.260271	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H+NH4"	16.019271
"491306"	982.380771	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H+NH4"	16.019271
"872026"	338.139771	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H+NH4"	16.019271
"43207"	665.215666	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H+Na"	20.974666
"477300"	987.336166	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H+Na"	20.974666
"851820"	343.095166	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H+Na"	20.974666
"1619768"	343.095166	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na-2H"	20.974666
"105540"	339.101563	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-H+Cl"	33.962126
"542912"	500.161813	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-H+Cl"	33.962126
"939719"	178.041313	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+Cl"	33.962126
"278275"	679.210402	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Cl"	34.969402
"670697"	1001.330902	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+Cl"	34.969402
"1286745"	357.089902	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl"	34.969402
"31256"	681.189606	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H+K"	36.948606
"468490"	1003.310106	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H+K"	36.948606
"847751"	359.069106	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H+K"	36.948606
"1568685"	359.069106	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K-2H"	36.948606
"948915"	367.118694	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+HCOOH"	44.998194
"366034"	689.239201	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+HCOOH-H"	44.998201
"351011"	703.254851	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Hac-H"	59.013851
"1496562"	381.134351	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Hac-H"	59.013851
"963013"	389.100651	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+NaCOOH"	66.980151
"113009"	357.089902	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2Cl"	69.938804
"550868"	518.150152	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2Cl"	69.938804
"1022829"	196.029652	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2Cl"	69.938804
"1242773"	401.039385	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Br"	78.918885
"1317632"	403.095372	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl+HCOOH"	80.974872
"1328562"	425.077329	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl+NaCOOH"	102.956829
"919619"	435.106086	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+CF3COOH"	112.985586
"1299609"	471.082764	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl+CF3COOH"	148.962264
"1381059"	287.107824	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H-2H2O"	-35.012676
"1397099"	305.1178	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H-H2O"	-17.0027
"296785"	645.248276	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H"	1.007276
"680825"	967.368776	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H"	1.007276
"1358632"	323.127776	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H"	1.007276
"136261"	323.127776	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2H"	2.014552
"575458"	484.188026	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2H"	2.014552
"1042799"	162.067526	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2H"	2.014552
"211792"	215.754276	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+3H"	3.021828
"648071"	323.127776	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+3H"	3.021828
"1167290"	108.380776	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+3H"	3.021828
"432751"	662.274823	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+NH4"	18.033823
"789371"	984.395323	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+NH4"	18.033823
"1690076"	340.154323	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+NH4"	18.033823
"336169"	331.6410495	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H+NH4"	19.041099
"725307"	492.7012995	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H+NH4"	19.041099
"1479493"	170.5807995	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+NH4"	19.041099
"396349"	667.230218	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Na"	22.989218
"765372"	989.350718	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+Na"	22.989218
"1615656"	345.109718	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na"	22.989218
"328978"	334.118747	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H+Na"	23.996494
"722293"	495.178997	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H+Na"	23.996494
"1470842"	173.058497	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+Na"	23.996494
"1066276"	115.70809	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2H+Na"	25.00377
"1266865"	355.153986	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+CH3OH+H"	33.033486
"382157"	683.204158	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+K"	38.963158
"742061"	1005.324658	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+K"	38.963158
"1545208"	361.083658	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K"	38.963158
"304570"	342.105717	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H+K"	39.970434
"695168"	503.165967	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H+K"	39.970434
"1458469"	181.045467	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+K"	39.970434
"244883"	686.274826	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+ACN+H"	42.033826
"1217592"	364.154326	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+ACN+H"	42.033826
"1205849"	182.580801	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+ACN+2H"	43.041102
"199812"	689.21216	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2Na-H"	44.97116
"632816"	1011.33266	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2Na-H"	44.97116
"1134496"	367.09166	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2Na-H"	44.97116
"182893"	345.109718	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2Na"	45.978436
"620267"	506.169968	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2Na"	45.978436
"1124868"	184.049468	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2Na"	45.978436
"1409857"	123.035404	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+2Na"	46.985712
"1440879"	369.133246	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+HCOOH"	47.012746
"232398"	350.14274	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+3H2O+2H"	56.04448
"1516085"	383.18529	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+IsoProp+H"	61.06479
"423063"	353.096688	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Na+K"	61.952376
"784057"	514.156938	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+Na+K"	61.952376
"1678568"	192.036438	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na+K"	61.952376
"266181"	708.256768	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+ACN+Na"	64.015768
"1231965"	386.136268	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+ACN+Na"	64.015768
"1723039"	386.159793	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+NH4+HCOOH"	64.039293
"1186570"	130.362718	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+3Na"	68.967654
"1656462"	391.115188	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na+HCOOH"	68.994688
"161136"	721.16004	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2K-H"	76.91904
"603976"	1043.28054	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2K-H"	76.91904
"1088490"	399.03954	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2K-H"	76.91904
"145307"	361.083658	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2K"	77.926316
"583773"	522.143908	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2K"	77.926316
"1077035"	200.023408	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2K"	77.926316
"1108058"	401.054092	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2K+H"	78.933592
"1342256"	401.141707	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+DMSO+H"	79.021207
"1010783"	405.180876	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2ACN+H"	83.060376
"1530003"	406.174508	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+IsoProp+Na+H"	84.054008
"997542"	203.094076	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2ACN+2H"	84.067652
"1595329"	407.089128	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K+HCOOH"	84.968628
"1417709"	437.120638	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+CF3COOH"	115.000138
"1154558"	223.607351	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+3ACN+2H"	125.094202
"1704111"	454.147185	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+NH4+CF3COOH"	132.026685
"1645228"	459.10258	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na+CF3COOH"	136.98208
"1579784"	475.07652	"C11324"	"6-(33-Dimethylallyl)chrysin;6-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K+CF3COOH"	152.95602
"810149"	322.1205	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M"	0
"977120"	303.10211	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H2O-H"	-19.01839
"66456"	213.739724	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-3H"	-3.021828
"503826"	321.113224	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-3H"	-3.021828
"880899"	106.366224	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-3H"	-3.021828
"1296"	321.113224	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H"	-2.014552
"453986"	482.173474	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H"	-2.014552
"828507"	160.052974	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H"	-2.014552
"87405"	643.233724	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-H"	-1.007276
"521862"	965.354224	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-H"	-1.007276
"905863"	321.113224	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H"	-1.007276
"58049"	660.260271	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H+NH4"	16.019271
"491052"	982.380771	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H+NH4"	16.019271
"872136"	338.139771	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H+NH4"	16.019271
"40037"	665.215666	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H+Na"	20.974666
"477774"	987.336166	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H+Na"	20.974666
"851200"	343.095166	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H+Na"	20.974666
"1619273"	343.095166	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na-2H"	20.974666
"101277"	339.101563	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-H+Cl"	33.962126
"543022"	500.161813	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-H+Cl"	33.962126
"938736"	178.041313	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+Cl"	33.962126
"278387"	679.210402	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Cl"	34.969402
"671535"	1001.330902	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+Cl"	34.969402
"1286121"	357.089902	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl"	34.969402
"30378"	681.189606	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M-2H+K"	36.948606
"467506"	1003.310106	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M-2H+K"	36.948606
"842027"	359.069106	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-2H+K"	36.948606
"1565514"	359.069106	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K-2H"	36.948606
"945745"	367.118694	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+HCOOH"	44.998194
"362378"	689.239201	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+HCOOH-H"	44.998201
"346867"	703.254851	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Hac-H"	59.013851
"1493388"	381.134351	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Hac-H"	59.013851
"962029"	389.100651	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+NaCOOH"	66.980151
"111298"	357.089902	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2Cl"	69.938804
"550162"	518.150152	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2Cl"	69.938804
"1022941"	196.029652	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2Cl"	69.938804
"1243250"	401.039385	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Br"	78.918885
"1317743"	403.095372	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl+HCOOH"	80.974872
"1329765"	425.077329	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl+NaCOOH"	102.956829
"920822"	435.106086	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M-H+CF3COOH"	112.985586
"1299719"	471.082764	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Cl+CF3COOH"	148.962264
"1381774"	287.107824	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H-2H2O"	-35.012676
"1396116"	305.1178	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H-H2O"	-17.0027
"296895"	645.248276	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H"	1.007276
"680935"	967.368776	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H"	1.007276
"1359470"	323.127776	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H"	1.007276
"138193"	323.127776	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2H"	2.014552
"577754"	484.188026	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2H"	2.014552
"1045096"	162.067526	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2H"	2.014552
"211902"	215.754276	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+3H"	3.021828
"648181"	323.127776	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+3H"	3.021828
"1167400"	108.380776	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+3H"	3.021828
"432861"	662.274823	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+NH4"	18.033823
"789481"	984.395323	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+NH4"	18.033823
"1690186"	340.154323	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+NH4"	18.033823
"336279"	331.6410495	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H+NH4"	19.041099
"725417"	492.7012995	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H+NH4"	19.041099
"1479239"	170.5807995	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+NH4"	19.041099
"395730"	667.230218	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Na"	22.989218
"765482"	989.350718	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+Na"	22.989218
"1616862"	345.109718	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na"	22.989218
"329452"	334.118747	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H+Na"	23.996494
"719323"	495.178997	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H+Na"	23.996494
"1473140"	173.058497	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+Na"	23.996494
"1064200"	115.70809	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2H+Na"	25.00377
"1264788"	355.153986	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+CH3OH+H"	33.033486
"379715"	683.204158	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+K"	38.963158
"740711"	1005.324658	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+K"	38.963158
"1545318"	361.083658	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K"	38.963158
"303950"	342.105717	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+H+K"	39.970434
"693090"	503.165967	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+H+K"	39.970434
"1446910"	181.045467	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+K"	39.970434
"243899"	686.274826	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+ACN+H"	42.033826
"1216609"	364.154326	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+ACN+H"	42.033826
"1199397"	182.580801	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+ACN+2H"	43.041102
"197734"	689.21216	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2Na-H"	44.97116
"629151"	1011.33266	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2Na-H"	44.97116
"1132786"	367.09166	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2Na-H"	44.97116
"180817"	345.109718	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2Na"	45.978436
"620377"	506.169968	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2Na"	45.978436
"1124978"	184.049468	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2Na"	45.978436
"1409601"	123.035404	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+2Na"	46.985712
"1441717"	369.133246	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+HCOOH"	47.012746
"232507"	350.14274	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+3H2O+2H"	56.04448
"1520935"	383.18529	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+IsoProp+H"	61.06479
"420986"	353.096688	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+Na+K"	61.952376
"783438"	514.156938	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+Na+K"	61.952376
"1679407"	192.036438	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na+K"	61.952376
"266171"	708.256768	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+ACN+Na"	64.015768
"1233532"	386.136268	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+ACN+Na"	64.015768
"1721326"	386.159793	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+NH4+HCOOH"	64.039293
"1183400"	130.362718	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+3Na"	68.967654
"1655477"	391.115188	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na+HCOOH"	68.994688
"161972"	721.16004	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2K-H"	76.91904
"601170"	1043.28054	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2K-H"	76.91904
"1088600"	399.03954	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2K-H"	76.91904
"145417"	361.083658	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"2M+2K"	77.926316
"584976"	522.143908	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"3M+2K"	77.926316
"1077145"	200.023408	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2K"	77.926316
"1109261"	401.054092	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2K+H"	78.933592
"1341271"	401.141707	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+DMSO+H"	79.021207
"1011986"	405.180876	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2ACN+H"	83.060376
"1529020"	406.174508	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+IsoProp+Na+H"	84.054008
"997652"	203.094076	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+2ACN+2H"	84.067652
"1593252"	407.089128	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K+HCOOH"	84.968628
"1417453"	437.120638	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+H+CF3COOH"	115.000138
"1153575"	223.607351	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+3ACN+2H"	125.094202
"1704221"	454.147185	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+NH4+CF3COOH"	132.026685
"1645338"	459.10258	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+Na+CF3COOH"	136.98208
"1579894"	475.07652	"C11325"	"8-(33-Dimethylallyl)chrysin;8-(33-DMA)chrysin"	"C20H18O4"	"322.1205"	"M+K+CF3COOH"	152.95602
"816788"	299.0616	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M"	0
"982700"	280.04321	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-H2O-H"	-19.01839
"73128"	198.367124	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M-3H"	-3.021828
"507218"	298.054324	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M-3H"	-3.021828
"881738"	98.679924	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-3H"	-3.021828
"3594"	298.054324	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M-2H"	-2.014552
"449721"	447.585124	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M-2H"	-2.014552
"827522"	148.523524	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-2H"	-2.014552
"85327"	597.115924	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M-H"	-1.007276
"524888"	896.177524	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M-H"	-1.007276
"908893"	298.054324	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-H"	-1.007276
"60350"	614.142471	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M-2H+NH4"	16.019271
"496629"	913.204071	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M-2H+NH4"	16.019271
"875528"	315.080871	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-2H+NH4"	16.019271
"39419"	619.097866	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M-2H+Na"	20.974666
"480072"	918.159466	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M-2H+Na"	20.974666
"850946"	320.036266	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-2H+Na"	20.974666
"1621208"	320.036266	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Na-2H"	20.974666
"107950"	316.042663	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M-H+Cl"	33.962126
"542042"	465.573463	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M-H+Cl"	33.962126
"940670"	166.511863	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-H+Cl"	33.962126
"276309"	633.092602	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+Cl"	34.969402
"674197"	932.154202	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+Cl"	34.969402
"1286597"	334.031002	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Cl"	34.969402
"29152"	635.071806	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M-2H+K"	36.948606
"471146"	934.133406	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M-2H+K"	36.948606
"848301"	336.010206	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-2H+K"	36.948606
"1569999"	336.010206	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+K-2H"	36.948606
"955698"	344.059794	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-H+HCOOH"	44.998194
"374641"	643.121401	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+HCOOH-H"	44.998201
"356701"	657.137051	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+Hac-H"	59.013851
"1498241"	358.075451	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Hac-H"	59.013851
"963232"	366.041751	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-H+NaCOOH"	66.980151
"116512"	334.031002	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+2Cl"	69.938804
"554978"	483.561802	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+2Cl"	69.938804
"1024875"	184.500202	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2Cl"	69.938804
"1246643"	377.980485	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Br"	78.918885
"1316388"	380.036472	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Cl+HCOOH"	80.974872
"1332063"	402.018429	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Cl+NaCOOH"	102.956829
"924214"	412.047186	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M-H+CF3COOH"	112.985586
"1303114"	448.023864	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Cl+CF3COOH"	148.962264
"1380549"	264.048924	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H-2H2O"	-35.012676
"1395499"	282.0589	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H-H2O"	-17.0027
"294091"	599.130476	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+H"	1.007276
"683232"	898.192076	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+H"	1.007276
"1361405"	300.068876	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H"	1.007276
"137210"	300.068876	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+2H"	2.014552
"578231"	449.599676	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+2H"	2.014552
"1048125"	150.538076	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2H"	2.014552
"215296"	200.381676	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+3H"	3.021828
"655948"	300.068876	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+3H"	3.021828
"1172979"	100.694476	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+3H"	3.021828
"434430"	616.157023	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+NH4"	18.033823
"793965"	915.218623	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+NH4"	18.033823
"1690296"	317.095423	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+NH4"	18.033823
"338575"	308.5821495	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+H+NH4"	19.041099
"726623"	458.1129495	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+H+NH4"	19.041099
"1486277"	159.0513495	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H+NH4"	19.041099
"401310"	621.112418	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+Na"	22.989218
"766686"	920.174018	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+Na"	22.989218
"1614057"	322.050818	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Na"	22.989218
"322272"	311.059847	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+H+Na"	23.996494
"713964"	460.590647	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+H+Na"	23.996494
"1468876"	161.529047	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H+Na"	23.996494
"1056657"	108.02179	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2H+Na"	25.00377
"1267085"	332.095086	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+CH3OH+H"	33.033486
"378003"	637.086358	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+K"	38.963158
"740092"	936.147958	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+K"	38.963158
"1547616"	338.024758	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+K"	38.963158
"302605"	319.046817	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+H+K"	39.970434
"697213"	468.577617	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+H+K"	39.970434
"1448846"	169.516017	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H+K"	39.970434
"246195"	640.157026	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+ACN+H"	42.033826
"1218906"	341.095426	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+ACN+H"	42.033826
"1203882"	171.051351	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+ACN+2H"	43.041102
"195658"	643.09436	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+2Na-H"	44.97116
"630482"	942.15596	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+2Na-H"	44.97116
"1132896"	344.03276	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2Na-H"	44.97116
"176552"	322.050818	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+2Na"	45.978436
"620487"	471.581618	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+2Na"	45.978436
"1121808"	172.520018	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2Na"	45.978436
"1404972"	115.349104	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H+2Na"	46.985712
"1439640"	346.074346	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H+HCOOH"	47.012746
"230430"	327.08384	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+3H2O+2H"	56.04448
"1518492"	360.12639	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+IsoProp+H"	61.06479
"417084"	330.037788	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+Na+K"	61.952376
"780995"	479.568588	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+Na+K"	61.952376
"1678057"	180.506988	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Na+K"	61.952376
"262756"	662.138968	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+ACN+Na"	64.015768
"1234371"	363.077368	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+ACN+Na"	64.015768
"1719247"	363.100893	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+NH4+HCOOH"	64.039293
"1180227"	122.676418	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+3Na"	68.967654
"1654493"	368.056288	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Na+HCOOH"	68.994688
"158437"	675.04224	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+2K-H"	76.91904
"599818"	974.10384	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+2K-H"	76.91904
"1084533"	375.98064	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2K-H"	76.91904
"142604"	338.024758	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"2M+2K"	77.926316
"582165"	487.555558	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"3M+2K"	77.926316
"1069594"	188.493958	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2K"	77.926316
"1102441"	377.995192	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2K+H"	78.933592
"1335909"	378.082807	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+DMSO+H"	79.021207
"1006501"	382.121976	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2ACN+H"	83.060376
"1528036"	383.115608	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+IsoProp+Na+H"	84.054008
"992295"	191.564626	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+2ACN+2H"	84.067652
"1590079"	384.030228	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+K+HCOOH"	84.968628
"1417926"	414.061738	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+H+CF3COOH"	115.000138
"1149673"	212.077901	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+3ACN+2H"	125.094202
"1700319"	431.088285	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+NH4+CF3COOH"	132.026685
"1642167"	436.04368	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+Na+CF3COOH"	136.98208
"1580004"	452.01762	"C11326"	"8-Anilino-1-naphthalene sulfonic acid;1-Anilino-8-naphthalenesulfonate;ANS"	"C16H13NO3S"	"299.0616"	"M+K+CF3COOH"	152.95602
"810369"	189.0096	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M"	0
"978434"	169.99121	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-H2O-H"	-19.01839
"73238"	124.999124	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M-3H"	-3.021828
"506235"	188.002324	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M-3H"	-3.021828
"880997"	61.995924	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-3H"	-3.021828
"2611"	188.002324	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M-2H"	-2.014552
"449831"	282.507124	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M-2H"	-2.014552
"827632"	93.497524	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-2H"	-2.014552
"85437"	377.011924	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M-H"	-1.007276
"524998"	566.021524	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M-H"	-1.007276
"909617"	188.002324	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-H"	-1.007276
"60824"	394.038471	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M-2H+NH4"	16.019271
"499655"	583.048071	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M-2H+NH4"	16.019271
"877094"	205.028871	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-2H+NH4"	16.019271
"38800"	398.993866	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M-2H+Na"	20.974666
"480546"	588.003466	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M-2H+Na"	20.974666
"855431"	209.984266	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-2H+Na"	20.974666
"1622777"	209.984266	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Na-2H"	20.974666
"105873"	205.990663	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M-H+Cl"	33.962126
"542151"	300.495463	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M-H+Cl"	33.962126
"937863"	111.485863	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-H+Cl"	33.962126
"277510"	412.988602	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+Cl"	34.969402
"671025"	601.998202	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+Cl"	34.969402
"1282334"	223.979002	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Cl"	34.969402
"23795"	414.967806	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M-2H+K"	36.948606
"468458"	603.977406	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M-2H+K"	36.948606
"840062"	225.958206	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-2H+K"	36.948606
"1567922"	225.958206	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+K-2H"	36.948606
"950341"	234.007794	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-H+HCOOH"	44.998194
"363088"	423.017401	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+HCOOH-H"	44.998201
"349155"	437.033051	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+Hac-H"	59.013851
"1497986"	248.023451	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Hac-H"	59.013851
"962247"	255.989751	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-H+NaCOOH"	66.980151
"114434"	223.979002	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+2Cl"	69.938804
"551808"	318.483802	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+2Cl"	69.938804
"1024985"	129.474202	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2Cl"	69.938804
"1248939"	267.928485	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Br"	78.918885
"1314676"	269.984472	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Cl+HCOOH"	80.974872
"1327798"	291.966429	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Cl+NaCOOH"	102.956829
"921044"	301.995186	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M-H+CF3COOH"	112.985586
"1298846"	337.971864	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Cl+CF3COOH"	148.962264
"1382114"	153.996924	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H-2H2O"	-35.012676
"1397432"	172.0069	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H-H2O"	-17.0027
"294929"	379.026476	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+H"	1.007276
"685167"	568.036076	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+H"	1.007276
"1362608"	190.016876	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H"	1.007276
"138779"	190.016876	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+2H"	2.014552
"580407"	284.521676	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+2H"	2.014552
"1050421"	95.512076	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2H"	2.014552
"215770"	127.013676	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+3H"	3.021828
"655330"	190.016876	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+3H"	3.021828
"1174182"	64.010476	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+3H"	3.021828
"433079"	396.053023	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+NH4"	18.033823
"796628"	585.062623	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+NH4"	18.033823
"1691502"	207.043423	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+NH4"	18.033823
"334313"	198.5301495	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+H+NH4"	19.041099
"727826"	293.0349495	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+H+NH4"	19.041099
"1488938"	104.0253495	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H+NH4"	19.041099
"402149"	401.008418	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+Na"	22.989218
"765704"	590.018018	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+Na"	22.989218
"1615504"	211.998818	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Na"	22.989218
"323476"	201.007847	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+H+Na"	23.996494
"712982"	295.512647	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+H+Na"	23.996494
"1467895"	106.503047	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H+Na"	23.996494
"1060047"	71.33779	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2H+Na"	25.00377
"1267195"	222.043086	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+CH3OH+H"	33.033486
"378844"	416.982358	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+K"	38.963158
"748954"	605.991958	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+K"	38.963158
"1548820"	227.972758	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+K"	38.963158
"304902"	208.994817	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+H+K"	39.970434
"701697"	303.499617	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+H+K"	39.970434
"1454423"	114.490017	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H+K"	39.970434
"248492"	420.053026	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+ACN+H"	42.033826
"1220111"	231.043426	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+ACN+H"	42.033826
"1206178"	116.025351	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+ACN+2H"	43.041102
"199049"	422.99036	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+2Na-H"	44.97116
"629500"	611.99996	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+2Na-H"	44.97116
"1131703"	233.98076	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2Na-H"	44.97116
"173624"	211.998818	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+2Na"	45.978436
"620597"	306.503618	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+2Na"	45.978436
"1121918"	117.494018	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2Na"	45.978436
"1410550"	78.665104	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H+2Na"	46.985712
"1443762"	236.022346	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H+HCOOH"	47.012746
"233456"	217.03184	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+3H2O+2H"	56.04448
"1518602"	250.07439	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+IsoProp+H"	61.06479
"420474"	219.985788	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+Na+K"	61.952376
"781834"	314.490588	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+Na+K"	61.952376
"1676344"	125.480988	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Na+K"	61.952376
"262501"	442.034968	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+ACN+Na"	64.015768
"1234480"	253.025368	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+ACN+Na"	64.015768
"1720451"	253.048893	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+NH4+HCOOH"	64.039293
"1180338"	85.992418	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+3Na"	68.967654
"1654605"	258.004288	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Na+HCOOH"	68.994688
"158913"	454.93824	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+2K-H"	76.91904
"599202"	643.94784	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+2K-H"	76.91904
"1089909"	265.92864	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2K-H"	76.91904
"143813"	227.972758	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"2M+2K"	77.926316
"583370"	322.477558	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"3M+2K"	77.926316
"1070435"	133.467958	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2K"	77.926316
"1106197"	267.943192	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2K+H"	78.933592
"1340396"	268.030807	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+DMSO+H"	79.021207
"1007102"	272.069976	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2ACN+H"	83.060376
"1529240"	273.063608	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+IsoProp+Na+H"	84.054008
"994593"	136.538626	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+2ACN+2H"	84.067652
"1593470"	273.978228	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+K+HCOOH"	84.968628
"1419131"	304.009738	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+H+CF3COOH"	115.000138
"1151608"	157.051901	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+3ACN+2H"	125.094202
"1703345"	321.036285	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+NH4+CF3COOH"	132.026685
"1642277"	325.99168	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+Na+CF3COOH"	136.98208
"1580114"	341.96562	"C11327"	"2-Pyridyl hydroxymethane sulfonic acid"	"C6H7NO4S"	"189.0096"	"M+K+CF3COOH"	152.95602
"810479"	357.2628	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M"	0
"978544"	338.24441	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-H2O-H"	-19.01839
"67879"	237.167924	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M-3H"	-3.021828
"504523"	356.255524	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M-3H"	-3.021828
"881958"	118.080324	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-3H"	-3.021828
"3814"	356.255524	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M-2H"	-2.014552
"447754"	534.886924	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M-2H"	-2.014552
"823367"	177.624124	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-2H"	-2.014552
"84452"	713.518324	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M-H"	-1.007276
"527296"	1070.781124	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M-H"	-1.007276
"910698"	356.255524	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-H"	-1.007276
"62680"	730.544871	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M-2H+NH4"	16.019271
"499033"	1087.807671	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M-2H+NH4"	16.019271
"874646"	373.282071	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-2H+NH4"	16.019271
"42919"	735.500266	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M-2H+Na"	20.974666
"482843"	1092.763066	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M-2H+Na"	20.974666
"855539"	378.237466	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-2H+Na"	20.974666
"1629447"	378.237466	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Na-2H"	20.974666
"106712"	374.243863	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M-H+Cl"	33.962126
"543354"	552.875263	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M-H+Cl"	33.962126
"937973"	195.612463	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-H+Cl"	33.962126
"275433"	749.495002	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+Cl"	34.969402
"672228"	1106.757802	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+Cl"	34.969402
"1284631"	392.232202	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Cl"	34.969402
"26091"	751.474206	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M-2H+K"	36.948606
"468568"	1108.737006	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M-2H+K"	36.948606
"843452"	394.211406	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-2H+K"	36.948606
"1569125"	394.211406	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+K-2H"	36.948606
"950451"	402.260994	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-H+HCOOH"	44.998194
"366478"	759.523801	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+HCOOH-H"	44.998201
"351453"	773.539451	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+Hac-H"	59.013851
"1500282"	416.276651	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Hac-H"	59.013851
"964543"	424.242951	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-H+NaCOOH"	66.980151
"115638"	392.232202	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+2Cl"	69.938804
"555198"	570.863602	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+2Cl"	69.938804
"1025095"	213.600802	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2Cl"	69.938804
"1250142"	436.181685	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Br"	78.918885
"1317701"	438.237672	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Cl+HCOOH"	80.974872
"1330094"	460.219629	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Cl+NaCOOH"	102.956829
"923705"	470.248386	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M-H+CF3COOH"	112.985586
"1300414"	506.225064	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Cl+CF3COOH"	148.962264
"1380036"	322.250124	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H-2H2O"	-35.012676
"1398150"	340.2601	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H-H2O"	-17.0027
"297954"	715.532876	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+H"	1.007276
"687462"	1072.795676	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+H"	1.007276
"1361987"	358.270076	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H"	1.007276
"138887"	358.270076	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+2H"	2.014552
"578086"	536.901476	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+2H"	2.014552
"1049075"	179.638676	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2H"	2.014552
"215515"	239.182476	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+3H"	3.021828
"656897"	358.270076	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+3H"	3.021828
"1176845"	120.094876	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+3H"	3.021828
"435742"	732.559423	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+NH4"	18.033823
"795279"	1089.822223	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+NH4"	18.033823
"1693434"	375.296623	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+NH4"	18.033823
"331507"	366.7833495	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+H+NH4"	19.041099
"735227"	545.4147495	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+H+NH4"	19.041099
"1491965"	188.1519495	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H+NH4"	19.041099
"403717"	737.514818	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+Na"	22.989218
"766540"	1094.777618	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+Na"	22.989218
"1617921"	380.252018	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Na"	22.989218
"328809"	369.261047	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+H+Na"	23.996494
"720500"	547.892447	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+H+Na"	23.996494
"1474563"	190.629647	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H+Na"	23.996494
"1066474"	127.42219	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2H+Na"	25.00377
"1266211"	390.296286	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+CH3OH+H"	33.033486
"389164"	753.488758	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+K"	38.963158
"749064"	1110.751558	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+K"	38.963158
"1548930"	396.225958	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+K"	38.963158
"310481"	377.248017	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+H+K"	39.970434
"701808"	555.879417	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+H+K"	39.970434
"1454534"	198.616617	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H+K"	39.970434
"247510"	756.559426	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+ACN+H"	42.033826
"1219128"	399.296626	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+ACN+H"	42.033826
"1205195"	200.151951	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+ACN+2H"	43.041102
"199160"	759.49676	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+2Na-H"	44.97116
"632523"	1116.75956	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+2Na-H"	44.97116
"1132262"	402.23396	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2Na-H"	44.97116
"173604"	380.252018	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+2Na"	45.978436
"620707"	558.883418	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+2Na"	45.978436
"1117651"	201.620618	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2Na"	45.978436
"1408838"	134.749504	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H+2Na"	46.985712
"1439860"	404.275546	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H+HCOOH"	47.012746
"227370"	385.28504	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+3H2O+2H"	56.04448
"1512515"	418.32759	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+IsoProp+H"	61.06479
"414023"	388.238988	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+Na+K"	61.952376
"781578"	566.870388	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+Na+K"	61.952376
"1672444"	209.607588	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Na+K"	61.952376
"260057"	778.541368	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+ACN+Na"	64.015768
"1232767"	421.278568	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+ACN+Na"	64.015768
"1719469"	421.302093	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+NH4+HCOOH"	64.039293
"1184822"	142.076818	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+3Na"	68.967654
"1654713"	426.257488	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Na+HCOOH"	68.994688
"159387"	791.44464	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+2K-H"	76.91904
"599312"	1148.70744	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+2K-H"	76.91904
"1087468"	434.18184	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2K-H"	76.91904
"144287"	396.225958	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"2M+2K"	77.926316
"583116"	574.857358	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"3M+2K"	77.926316
"1069936"	217.594558	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2K"	77.926316
"1104120"	436.196392	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2K+H"	78.933592
"1341599"	436.284007	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+DMSO+H"	79.021207
"1009035"	440.323176	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2ACN+H"	83.060376
"1529348"	441.316808	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+IsoProp+Na+H"	84.054008
"994705"	220.665226	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+2ACN+2H"	84.067652
"1594675"	442.231428	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+K+HCOOH"	84.968628
"1420335"	472.262938	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+H+CF3COOH"	115.000138
"1150625"	241.178501	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+3ACN+2H"	125.094202
"1700175"	489.289485	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+NH4+CF3COOH"	132.026685
"1644574"	494.24488	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+Na+CF3COOH"	136.98208
"1580224"	510.21882	"C11328"	"Leucyl-leucyl-norleucine"	"C18H35N3O4"	"357.2628"	"M+K+CF3COOH"	152.95602
"810589"	287.1481	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M"	0
"980841"	268.12971	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-H2O-H"	-19.01839
"66896"	190.424790666667	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M-3H"	-3.021828
"506455"	286.140824	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M-3H"	-3.021828
"882432"	94.7087573333333	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-3H"	-3.021828
"1732"	286.140824	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M-2H"	-2.014552
"452238"	429.714874	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M-2H"	-2.014552
"830040"	142.566774	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-2H"	-2.014552
"86751"	573.288924	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M-H"	-1.007276
"527406"	860.437024	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M-H"	-1.007276
"911256"	286.140824	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-H"	-1.007276
"62728"	590.315471	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M-2H+NH4"	16.019271
"499143"	877.463571	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M-2H+NH4"	16.019271
"876944"	303.167371	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-2H+NH4"	16.019271
"43393"	595.270866	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M-2H+Na"	20.974666
"484046"	882.418966	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M-2H+Na"	20.974666
"855649"	308.122766	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-2H+Na"	20.974666
"1629557"	308.122766	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Na-2H"	20.974666
"108523"	304.129163	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M-H+Cl"	33.962126
"546745"	447.703213	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M-H+Cl"	33.962126
"940272"	160.555113	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-H+Cl"	33.962126
"279196"	609.265602	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+Cl"	34.969402
"674164"	896.413702	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+Cl"	34.969402
"1286928"	322.117502	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Cl"	34.969402
"28388"	611.244806	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M-2H+K"	36.948606
"470825"	898.392906	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M-2H+K"	36.948606
"848453"	324.096706	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-2H+K"	36.948606
"1568142"	324.096706	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+K-2H"	36.948606
"956028"	332.146294	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-H+HCOOH"	44.998194
"372055"	619.294401	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+HCOOH-H"	44.998201
"359217"	633.310051	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+Hac-H"	59.013851
"1501488"	346.161951	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Hac-H"	59.013851
"965748"	354.128251	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-H+NaCOOH"	66.980151
"117936"	322.117502	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+2Cl"	69.938804
"555309"	465.691552	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+2Cl"	69.938804
"1025205"	178.543452	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2Cl"	69.938804
"1249159"	366.066985	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Br"	78.918885
"1318177"	368.122972	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Cl+HCOOH"	80.974872
"1330204"	390.104929	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Cl+NaCOOH"	102.956829
"926004"	400.133686	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M-H+CF3COOH"	112.985586
"1302714"	436.110364	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Cl+CF3COOH"	148.962264
"1379417"	252.135424	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H-2H2O"	-35.012676
"1398368"	270.1454	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H-H2O"	-17.0027
"298486"	575.303476	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+H"	1.007276
"690775"	862.451576	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+H"	1.007276
"1365745"	288.155376	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H"	1.007276
"139727"	288.155376	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+2H"	2.014552
"577829"	431.729426	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+2H"	2.014552
"1050643"	144.581326	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2H"	2.014552
"217452"	192.439342666667	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+3H"	3.021828
"658347"	288.155376	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+3H"	3.021828
"1176230"	96.7233093333333	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+3H"	3.021828
"436216"	592.330023	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+NH4"	18.033823
"794296"	879.478123	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+NH4"	18.033823
"1692815"	305.181923	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+NH4"	18.033823
"334533"	296.6686495	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+H+NH4"	19.041099
"733515"	440.2426995	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+H+NH4"	19.041099
"1491590"	153.0945995	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H+NH4"	19.041099
"403827"	597.285418	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+Na"	22.989218
"768836"	884.433518	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+Na"	22.989218
"1618392"	310.137318	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Na"	22.989218
"329773"	299.146347	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+H+Na"	23.996494
"719758"	442.720397	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+H+Na"	23.996494
"1475766"	155.572297	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H+Na"	23.996494
"1068285"	104.050623333333	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2H+Na"	25.00377
"1267414"	320.181586	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+CH3OH+H"	33.033486
"390368"	613.259358	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+K"	38.963158
"746987"	900.407458	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+K"	38.963158
"1547946"	326.111258	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+K"	38.963158
"310589"	307.133317	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+H+K"	39.970434
"701917"	450.707367	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+H+K"	39.970434
"1454643"	163.559267	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H+K"	39.970434
"249806"	616.330026	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+ACN+H"	42.033826
"1218144"	329.181926	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+ACN+H"	42.033826
"1206398"	165.094601	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+ACN+2H"	43.041102
"200363"	619.26736	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+2Na-H"	44.97116
"631177"	906.41546	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+2Na-H"	44.97116
"1139056"	332.11926	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2Na-H"	44.97116
"179067"	310.137318	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+2Na"	45.978436
"615348"	453.711368	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+2Na"	45.978436
"1117761"	166.563268	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2Na"	45.978436
"1410406"	111.377937333333	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H+2Na"	46.985712
"1437783"	334.160846	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H+HCOOH"	47.012746
"230396"	315.17034	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+3H2O+2H"	56.04448
"1516635"	348.21289	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+IsoProp+H"	61.06479
"418507"	318.124288	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+Na+K"	61.952376
"780595"	461.698338	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+Na+K"	61.952376
"1674741"	174.550238	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Na+K"	61.952376
"261260"	638.311968	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+ACN+Na"	64.015768
"1229595"	351.163868	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+ACN+Na"	64.015768
"1722495"	351.187393	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+NH4+HCOOH"	64.039293
"1183839"	118.705251333333	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+3Na"	68.967654
"1654825"	356.142788	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Na+HCOOH"	68.994688
"161686"	651.21524	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+2K-H"	76.91904
"601245"	938.36334	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+2K-H"	76.91904
"1086850"	364.06714	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2K-H"	76.91904
"143304"	326.111258	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"2M+2K"	77.926316
"585415"	469.685308	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"3M+2K"	77.926316
"1070289"	182.537208	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2K"	77.926316
"1102407"	366.081692	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2K+H"	78.933592
"1342804"	366.169307	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+DMSO+H"	79.021207
"1010239"	370.208476	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2ACN+H"	83.060376
"1527270"	371.202108	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+IsoProp+Na+H"	84.054008
"995905"	185.607876	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+2ACN+2H"	84.067652
"1592598"	372.116728	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+K+HCOOH"	84.968628
"1419350"	402.148238	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+H+CF3COOH"	115.000138
"1150735"	206.121151	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+3ACN+2H"	125.094202
"1700285"	419.174785	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+NH4+CF3COOH"	132.026685
"1644684"	424.13018	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+Na+CF3COOH"	136.98208
"1580334"	440.10412	"C11329"	"N-Acetyl-ala-ala-ala-methylester;NAc-AAA-ME"	"C12H21N3O5"	"287.1481"	"M+K+CF3COOH"	152.95602
"816168"	449.2526	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M"	0
"980951"	430.23421	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-H2O-H"	-19.01839
"70286"	298.494457333333	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M-3H"	-3.021828
"505593"	448.245324	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M-3H"	-3.021828
"882178"	148.743590666667	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-3H"	-3.021828
"1237"	448.245324	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M-2H"	-2.014552
"449068"	672.871624	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M-2H"	-2.014552
"829056"	223.619024	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-2H"	-2.014552
"85768"	897.497924	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M-H"	-1.007276
"527515"	1346.750524	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M-H"	-1.007276
"910545"	448.245324	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-H"	-1.007276
"62003"	914.524471	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M-2H+NH4"	16.019271
"497066"	1363.777071	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M-2H+NH4"	16.019271
"873774"	465.271871	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-2H+NH4"	16.019271
"45688"	919.479866	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M-2H+Na"	20.974666
"486222"	1368.732466	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M-2H+Na"	20.974666
"860134"	470.227266	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-2H+Na"	20.974666
"1632948"	470.227266	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Na-2H"	20.974666
"109200"	466.233663	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M-H+Cl"	33.962126
"546854"	690.859963	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M-H+Cl"	33.962126
"940019"	241.607363	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-H+Cl"	33.962126
"280761"	933.474602	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+Cl"	34.969402
"673549"	1382.727202	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+Cl"	34.969402
"1287849"	484.222002	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Cl"	34.969402
"31421"	935.453806	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M-2H+K"	36.948606
"471387"	1384.706406	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M-2H+K"	36.948606
"848053"	486.201206	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-2H+K"	36.948606
"1568983"	486.201206	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+K-2H"	36.948606
"954317"	494.250794	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-H+HCOOH"	44.998194
"373258"	943.503401	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+HCOOH-H"	44.998201
"358235"	957.519051	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+Hac-H"	59.013851
"1503784"	508.266451	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Hac-H"	59.013851
"964765"	516.232751	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-H+NaCOOH"	66.980151
"118046"	484.222002	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+2Cl"	69.938804
"556513"	708.848302	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+2Cl"	69.938804
"1024221"	259.595702	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2Cl"	69.938804
"1247082"	528.171485	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Br"	78.918885
"1318287"	530.227472	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Cl+HCOOH"	80.974872
"1331772"	552.209429	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Cl+NaCOOH"	102.956829
"925385"	562.238186	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M-H+CF3COOH"	112.985586
"1299174"	598.214864	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Cl+CF3COOH"	148.962264
"1379894"	414.239924	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H-2H2O"	-35.012676
"1398322"	432.2499	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H-H2O"	-17.0027
"298381"	899.512476	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+H"	1.007276
"690235"	1348.765076	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+H"	1.007276
"1366584"	450.259876	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H"	1.007276
"140204"	450.259876	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+2H"	2.014552
"579765"	674.886176	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+2H"	2.014552
"1050387"	225.633576	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2H"	2.014552
"218653"	300.509009333333	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+3H"	3.021828
"657847"	450.259876	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+3H"	3.021828
"1175974"	150.758142666667	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+3H"	3.021828
"438759"	916.539023	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+NH4"	18.033823
"797688"	1365.791623	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+NH4"	18.033823
"1695478"	467.286423	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+NH4"	18.033823
"333548"	458.7731495	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+H+NH4"	19.041099
"725967"	683.3994495	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+H+NH4"	19.041099
"1478692"	234.1468495	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H+NH4"	19.041099
"395552"	921.494418	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+Na"	22.989218
"769827"	1370.747018	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+Na"	22.989218
"1618269"	472.241818	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Na"	22.989218
"329642"	461.250847	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+H+Na"	23.996494
"719866"	685.877147	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+H+Na"	23.996494
"1467125"	236.624547	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H+Na"	23.996494
"1057089"	158.085456666667	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2H+Na"	25.00377
"1271773"	482.286086	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+CH3OH+H"	33.033486
"390111"	937.468358	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+K"	38.963158
"753538"	1386.720958	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+K"	38.963158
"1550245"	488.215758	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+K"	38.963158
"311794"	469.237817	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+H+K"	39.970434
"706988"	693.864117	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+H+K"	39.970434
"1461200"	244.611517	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H+K"	39.970434
"250287"	940.539026	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+ACN+H"	42.033826
"1220439"	491.286426	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+ACN+H"	42.033826
"1207239"	246.146851	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+ACN+2H"	43.041102
"202906"	943.47636	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+2Na-H"	44.97116
"634569"	1392.72896	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+2Na-H"	44.97116
"1141354"	494.22376	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2Na-H"	44.97116
"182458"	472.241818	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+2Na"	45.978436
"620926"	696.868118	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+2Na"	45.978436
"1121151"	247.615518	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2Na"	45.978436
"1411975"	165.412770666667	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H+2Na"	46.985712
"1437893"	496.265346	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H+HCOOH"	47.012746
"230870"	477.27484	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+3H2O+2H"	56.04448
"1520025"	510.31739	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+IsoProp+H"	61.06479
"419710"	480.228788	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+Na+K"	61.952376
"780705"	704.855088	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+Na+K"	61.952376
"1676675"	255.602488	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Na+K"	61.952376
"259185"	962.520968	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+ACN+Na"	64.015768
"1232987"	513.268368	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+ACN+Na"	64.015768
"1719689"	513.291893	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+NH4+HCOOH"	64.039293
"1183949"	172.740084666667	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+3Na"	68.967654
"1654935"	518.247288	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Na+HCOOH"	68.994688
"161796"	975.42424	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+2K-H"	76.91904
"605729"	1424.67684	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+2K-H"	76.91904
"1090241"	526.17164	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2K-H"	76.91904
"147060"	488.215758	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"2M+2K"	77.926316
"584067"	712.842058	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"3M+2K"	77.926316
"1077693"	263.589458	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2K"	77.926316
"1107623"	528.186192	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2K+H"	78.933592
"1342915"	528.273807	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+DMSO+H"	79.021207
"1013629"	532.312976	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2ACN+H"	83.060376
"1531755"	533.306608	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+IsoProp+Na+H"	84.054008
"996016"	266.660126	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+2ACN+2H"	84.067652
"1593801"	534.221228	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+K+HCOOH"	84.968628
"1419460"	564.252738	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+H+CF3COOH"	115.000138
"1149748"	287.173401	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+3ACN+2H"	125.094202
"1704770"	581.279285	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+NH4+CF3COOH"	132.026685
"1645888"	586.23468	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+Na+CF3COOH"	136.98208
"1580444"	602.20862	"C11330"	"N-Acetyl-leu-leu-tyr;NAc-LLY"	"C23H35N3O6"	"449.2526"	"M+K+CF3COOH"	152.95602
"810809"	407.242	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M"	0
"977781"	388.22361	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-H2O-H"	-19.01839
"64927"	270.487390666667	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M-3H"	-3.021828
"506675"	406.234724	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M-3H"	-3.021828
"882288"	134.740057333333	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-3H"	-3.021828
"861"	406.234724	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M-2H"	-2.014552
"450271"	609.855724	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M-2H"	-2.014552
"829896"	202.613724	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-2H"	-2.014552
"90251"	813.476724	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M-H"	-1.007276
"527625"	1220.718724	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M-H"	-1.007276
"908710"	406.234724	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-H"	-1.007276
"59803"	830.503271	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M-2H+NH4"	16.019271
"497176"	1237.745271	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M-2H+NH4"	16.019271
"870604"	423.261271	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-2H+NH4"	16.019271
"36321"	835.458666	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M-2H+Na"	20.974666
"486087"	1242.700666	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M-2H+Na"	20.974666
"858055"	428.216666	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-2H+Na"	20.974666
"1629777"	428.216666	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Na-2H"	20.974666
"106312"	424.223063	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M-H+Cl"	33.962126
"546964"	627.844063	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M-H+Cl"	33.962126
"940493"	220.602063	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-H+Cl"	33.962126
"280142"	849.453402	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+Cl"	34.969402
"673656"	1256.695402	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+Cl"	34.969402
"1287878"	442.211402	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Cl"	34.969402
"28608"	851.432606	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M-2H+K"	36.948606
"470357"	1258.674606	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M-2H+K"	36.948606
"843782"	444.190606	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-2H+K"	36.948606
"1569459"	444.190606	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+K-2H"	36.948606
"954427"	452.240194	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-H+HCOOH"	44.998194
"368995"	859.482201	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+HCOOH-H"	44.998201
"356157"	873.497851	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+Hac-H"	59.013851
"1502801"	466.255851	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Hac-H"	59.013851
"963781"	474.222151	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-H+NaCOOH"	66.980151
"114877"	442.211402	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+2Cl"	69.938804
"553342"	645.832402	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+2Cl"	69.938804
"1022508"	238.590402	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2Cl"	69.938804
"1247192"	486.160885	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Br"	78.918885
"1316938"	488.216872	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Cl+HCOOH"	80.974872
"1329330"	510.198829	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Cl+NaCOOH"	102.956829
"925132"	520.227586	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M-H+CF3COOH"	112.985586
"1298920"	556.204264	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Cl+CF3COOH"	148.962264
"1379640"	372.229324	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H-2H2O"	-35.012676
"1398246"	390.2393	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H-H2O"	-17.0027
"298403"	815.491276	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+H"	1.007276
"687790"	1222.733276	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+H"	1.007276
"1366693"	408.249276	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H"	1.007276
"140677"	408.249276	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+2H"	2.014552
"580967"	611.870276	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+2H"	2.014552
"1050131"	204.628276	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2H"	2.014552
"215846"	272.501942666667	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+3H"	3.021828
"658687"	408.249276	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+3H"	3.021828
"1175354"	136.754609333333	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+3H"	3.021828
"436437"	832.517823	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+NH4"	18.033823
"794518"	1239.759823	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+NH4"	18.033823
"1691579"	425.275823	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+NH4"	18.033823
"333658"	416.7625495	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+H+NH4"	19.041099
"725713"	620.3835495	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+H+NH4"	19.041099
"1477709"	213.1415495	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H+NH4"	19.041099
"395053"	837.473218	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+Na"	22.989218
"769718"	1244.715218	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+Na"	22.989218
"1618293"	430.231218	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Na"	22.989218
"329714"	419.240247	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+H+Na"	23.996494
"716696"	622.861247	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+H+Na"	23.996494
"1469422"	215.619247	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H+Na"	23.996494
"1058292"	144.081923333333	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2H+Na"	25.00377
"1271883"	440.275486	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+CH3OH+H"	33.033486
"391315"	853.447158	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+K"	38.963158
"751581"	1260.689158	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+K"	38.963158
"1550355"	446.205158	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+K"	38.963158
"309717"	427.227217	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+H+K"	39.970434
"706474"	630.848217	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+H+K"	39.970434
"1460985"	223.606217	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H+K"	39.970434
"250276"	856.517826	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+ACN+H"	42.033826
"1219457"	449.275826	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+ACN+H"	42.033826
"1206986"	225.141551	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+ACN+2H"	43.041102
"200587"	859.45516	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+2Na-H"	44.97116
"629333"	1266.69716	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+2Na-H"	44.97116
"1140371"	452.21316	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2Na-H"	44.97116
"172880"	430.231218	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+2Na"	45.978436
"617756"	633.852218	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+2Na"	45.978436
"1118102"	226.610218	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2Na"	45.978436
"1411721"	151.409237333333	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H+2Na"	46.985712
"1440190"	454.254746	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H+HCOOH"	47.012746
"233168"	435.26424	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+3H2O+2H"	56.04448
"1521230"	468.30679	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+IsoProp+H"	61.06479
"422373"	438.218188	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+Na+K"	61.952376
"784097"	641.839188	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+Na+K"	61.952376
"1678972"	234.597188	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Na+K"	61.952376
"261482"	878.499768	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+ACN+Na"	64.015768
"1234191"	471.257768	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+ACN+Na"	64.015768
"1718706"	471.281293	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+NH4+HCOOH"	64.039293
"1184059"	158.736551333333	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+3Na"	68.967654
"1652858"	476.236688	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Na+HCOOH"	68.994688
"160812"	891.40304	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+2K-H"	76.91904
"604746"	1298.64504	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+2K-H"	76.91904
"1090351"	484.16104	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2K-H"	76.91904
"147170"	446.205158	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"2M+2K"	77.926316
"584298"	649.826158	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"3M+2K"	77.926316
"1075617"	242.584158	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2K"	77.926316
"1107733"	486.175592	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2K+H"	78.933592
"1343025"	486.263207	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+DMSO+H"	79.021207
"1012645"	490.302376	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2ACN+H"	83.060376
"1528585"	491.296008	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+IsoProp+Na+H"	84.054008
"993940"	245.654826	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+2ACN+2H"	84.067652
"1590630"	492.210628	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+K+HCOOH"	84.968628
"1416290"	522.242138	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+H+CF3COOH"	115.000138
"1147305"	266.168101	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+3ACN+2H"	125.094202
"1703786"	539.268685	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+NH4+CF3COOH"	132.026685
"1645998"	544.22408	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+Na+CF3COOH"	136.98208
"1580554"	560.19802	"C11331"	"Leu-leu-tyr;LLY"	"C21H33N3O5"	"407.242"	"M+K+CF3COOH"	152.95602
"809826"	244.1787	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M"	0
"977891"	225.16031	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-H2O-H"	-19.01839
"63215"	161.778524	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M-3H"	-3.021828
"505692"	243.171424	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M-3H"	-3.021828
"882398"	80.385624	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-3H"	-3.021828
"728"	243.171424	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M-2H"	-2.014552
"447101"	365.260774	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M-2H"	-2.014552
"827090"	121.082074	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-2H"	-2.014552
"87082"	487.350124	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M-H"	-1.007276
"528829"	731.528824	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M-H"	-1.007276
"910281"	243.171424	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-H"	-1.007276
"59913"	504.376671	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M-2H+NH4"	16.019271
"497286"	748.555371	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M-2H+NH4"	16.019271
"870714"	260.197971	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-2H+NH4"	16.019271
"35337"	509.332066	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M-2H+Na"	20.974666
"484374"	753.510766	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M-2H+Na"	20.974666
"852697"	265.153366	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-2H+Na"	20.974666
"1629888"	265.153366	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Na-2H"	20.974666
"106422"	261.159763	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M-H+Cl"	33.962126
"547074"	383.249113	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M-H+Cl"	33.962126
"940966"	139.070413	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-H+Cl"	33.962126
"279888"	523.326802	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+Cl"	34.969402
"672309"	767.505502	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+Cl"	34.969402
"1286531"	279.148102	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Cl"	34.969402
"28354"	525.306006	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M-2H+K"	36.948606
"470351"	769.484706	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M-2H+K"	36.948606
"844985"	281.127306	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-2H+K"	36.948606
"1568111"	281.127306	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+K-2H"	36.948606
"955630"	289.176894	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-H+HCOOH"	44.998194
"370198"	533.355601	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+HCOOH-H"	44.998201
"358455"	547.371251	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+Hac-H"	59.013851
"1502911"	303.192551	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Hac-H"	59.013851
"961705"	311.158851	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-H+NaCOOH"	66.980151
"114987"	279.148102	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+2Cl"	69.938804
"552723"	401.237452	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+2Cl"	69.938804
"1025532"	157.058752	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2Cl"	69.938804
"1249489"	323.097585	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Br"	78.918885
"1311944"	325.153572	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Cl+HCOOH"	80.974872
"1329076"	347.135529	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Cl+NaCOOH"	102.956829
"920136"	357.164286	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M-H+CF3COOH"	112.985586
"1298666"	393.140964	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Cl+CF3COOH"	148.962264
"1380115"	209.166024	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H-2H2O"	-35.012676
"1398287"	227.176	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H-H2O"	-17.0027
"297667"	489.364676	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+H"	1.007276
"687900"	733.543376	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+H"	1.007276
"1365343"	245.185976	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H"	1.007276
"140785"	245.185976	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+2H"	2.014552
"579250"	367.275326	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+2H"	2.014552
"1049873"	123.096626	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2H"	2.014552
"215592"	163.793076	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+3H"	3.021828
"656610"	245.185976	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+3H"	3.021828
"1174734"	82.400176	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+3H"	3.021828
"437640"	506.391223	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+NH4"	18.033823
"797177"	750.569923	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+NH4"	18.033823
"1693145"	262.212523	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+NH4"	18.033823
"334861"	253.6992495	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+H+NH4"	19.041099
"725095"	375.7885995	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+H+NH4"	19.041099
"1477695"	131.6098995	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H+NH4"	19.041099
"394678"	511.346618	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+Na"	22.989218
"769864"	755.525318	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+Na"	22.989218
"1618000"	267.167918	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Na"	22.989218
"329373"	256.176947	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+H+Na"	23.996494
"718992"	378.266297	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+H+Na"	23.996494
"1469532"	134.087597	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H+Na"	23.996494
"1058402"	89.72749	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2H+Na"	25.00377
"1271266"	277.212186	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+CH3OH+H"	33.033486
"390695"	527.320558	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+K"	38.963158
"751691"	771.499258	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+K"	38.963158
"1550465"	283.141858	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+K"	38.963158
"306547"	264.163917	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+H+K"	39.970434
"705166"	386.253267	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+H+K"	39.970434
"1459349"	142.074567	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H+K"	39.970434
"247588"	530.391226	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+ACN+H"	42.033826
"1221755"	286.212526	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+ACN+H"	42.033826
"1206002"	143.609901	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+ACN+2H"	43.041102
"197417"	533.32856	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+2Na-H"	44.97116
"639160"	777.50726	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+2Na-H"	44.97116
"1138291"	289.14986	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2Na-H"	44.97116
"181583"	267.167918	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+2Na"	45.978436
"615677"	389.257268	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+2Na"	45.978436
"1115812"	145.078568	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2Na"	45.978436
"1412922"	97.054804	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H+2Na"	46.985712
"1440300"	291.191446	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H+HCOOH"	47.012746
"232183"	272.20094	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+3H2O+2H"	56.04448
"1520245"	305.24349	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+IsoProp+H"	61.06479
"422849"	275.154888	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+Na+K"	61.952376
"784207"	397.244238	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+Na+K"	61.952376
"1679811"	153.065538	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Na+K"	61.952376
"261592"	552.373168	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+ACN+Na"	64.015768
"1234300"	308.194468	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+ACN+Na"	64.015768
"1719907"	308.217993	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+NH4+HCOOH"	64.039293
"1180887"	104.382118	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+3Na"	68.967654
"1656247"	313.173388	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Na+HCOOH"	68.994688
"160922"	565.27644	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+2K-H"	76.91904
"600482"	809.45514	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+2K-H"	76.91904
"1086087"	321.09774	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2K-H"	76.91904
"147279"	283.141858	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"2M+2K"	77.926316
"583923"	405.231208	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"3M+2K"	77.926316
"1077913"	161.052508	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2K"	77.926316
"1107843"	323.112292	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2K+H"	78.933592
"1345321"	323.199907	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+DMSO+H"	79.021207
"1012755"	327.239076	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2ACN+H"	83.060376
"1529788"	328.232708	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+IsoProp+Na+H"	84.054008
"994050"	164.123176	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+2ACN+2H"	84.067652
"1590740"	329.147328	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+K+HCOOH"	84.968628
"1416400"	359.178838	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+H+CF3COOH"	115.000138
"1147902"	184.636451	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+3ACN+2H"	125.094202
"1703896"	376.205385	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+NH4+CF3COOH"	132.026685
"1646108"	381.16078	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+Na+CF3COOH"	136.98208
"1580664"	397.13472	"C11332"	"Leucyl-leucine"	"C12H24N2O3"	"244.1787"	"M+K+CF3COOH"	152.95602
"809936"	286.1893	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M"	0
"978001"	267.17091	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-H2O-H"	-19.01839
"66240"	189.785590666667	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M-3H"	-3.021828
"507988"	285.182024	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M-3H"	-3.021828
"883601"	94.3891573333333	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-3H"	-3.021828
"2537"	285.182024	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M-2H"	-2.014552
"449398"	428.276674	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M-2H"	-2.014552
"827200"	142.087374	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-2H"	-2.014552
"87192"	571.371324	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M-H"	-1.007276
"528939"	857.560624	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M-H"	-1.007276
"910512"	285.182024	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-H"	-1.007276
"60023"	588.397871	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M-2H+NH4"	16.019271
"497396"	874.587171	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M-2H+NH4"	16.019271
"873010"	302.208571	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-2H+NH4"	16.019271
"35810"	593.353266	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M-2H+Na"	20.974666
"482661"	879.542566	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M-2H+Na"	20.974666
"853900"	307.163966	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-2H+Na"	20.974666
"1626717"	307.163966	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Na-2H"	20.974666
"99971"	303.170363	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M-H+Cl"	33.962126
"540622"	446.265013	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M-H+Cl"	33.962126
"937430"	160.075713	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-H+Cl"	33.962126
"279997"	607.348002	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+Cl"	34.969402
"672413"	893.537302	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+Cl"	34.969402
"1284086"	321.158702	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Cl"	34.969402
"28463"	609.327206	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M-2H+K"	36.948606
"462920"	895.516506	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M-2H+K"	36.948606
"841815"	323.137906	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-2H+K"	36.948606
"1567487"	323.137906	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+K-2H"	36.948606
"956468"	331.187494	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-H+HCOOH"	44.998194
"369215"	617.376801	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+HCOOH-H"	44.998201
"356377"	631.392451	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+Hac-H"	59.013851
"1497553"	345.203151	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Hac-H"	59.013851
"961085"	353.169451	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-H+NaCOOH"	66.980151
"113275"	321.158702	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+2Cl"	69.938804
"553197"	464.253352	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+2Cl"	69.938804
"1022727"	178.064052	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2Cl"	69.938804
"1244125"	365.108185	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Br"	78.918885
"1314241"	367.164172	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Cl+HCOOH"	80.974872
"1331373"	389.146129	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Cl+NaCOOH"	102.956829
"919514"	399.174886	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M-H+CF3COOH"	112.985586
"1296224"	435.151564	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Cl+CF3COOH"	148.962264
"1376575"	251.176624	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H-2H2O"	-35.012676
"1397737"	269.1866	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H-H2O"	-17.0027
"297044"	573.385876	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+H"	1.007276
"689833"	859.575176	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+H"	1.007276
"1366634"	287.196576	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H"	1.007276
"141139"	287.196576	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+2H"	2.014552
"581226"	430.291226	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+2H"	2.014552
"1051324"	144.101926	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2H"	2.014552
"217888"	191.800142666667	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+3H"	3.021828
"658181"	287.196576	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+3H"	3.021828
"1176668"	96.4037093333333	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+3H"	3.021828
"437386"	590.412423	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+NH4"	18.033823
"798380"	876.601723	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+NH4"	18.033823
"1693984"	304.223123	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+NH4"	18.033823
"336064"	295.7098495	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+H+NH4"	19.041099
"726298"	438.8044995	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+H+NH4"	19.041099
"1478294"	152.6151995	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H+NH4"	19.041099
"394545"	595.367818	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+Na"	22.989218
"768188"	881.557118	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+Na"	22.989218
"1618195"	309.178518	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Na"	22.989218
"329727"	298.187547	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+H+Na"	23.996494
"719102"	441.282197	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+H+Na"	23.996494
"1470735"	155.092897	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H+Na"	23.996494
"1057419"	103.731023333333	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2H+Na"	25.00377
"1271131"	319.222786	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+CH3OH+H"	33.033486
"389716"	611.341758	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+K"	38.963158
"751803"	897.531058	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+K"	38.963158
"1550575"	325.152458	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+K"	38.963158
"308844"	306.174517	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+H+K"	39.970434
"704912"	449.269167	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+H+K"	39.970434
"1459824"	163.079867	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H+K"	39.970434
"248791"	614.412426	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+ACN+H"	42.033826
"1222229"	328.223126	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+ACN+H"	42.033826
"1205384"	164.615201	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+ACN+2H"	43.041102
"199349"	617.34976	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+2Na-H"	44.97116
"641458"	903.53906	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+2Na-H"	44.97116
"1138401"	331.16046	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2Na-H"	44.97116
"184245"	309.178518	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+2Na"	45.978436
"614328"	452.273168	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+2Na"	45.978436
"1115924"	166.083868	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2Na"	45.978436
"1413032"	111.058337333333	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H+2Na"	46.985712
"1442597"	333.202046	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H+HCOOH"	47.012746
"232293"	314.21154	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+3H2O+2H"	56.04448
"1521814"	347.25409	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+IsoProp+H"	61.06479
"423325"	317.165488	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+Na+K"	61.952376
"784927"	460.260138	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+Na+K"	61.952376
"1678465"	174.070838	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Na+K"	61.952376
"262797"	636.394368	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+ACN+Na"	64.015768
"1237692"	350.205068	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+ACN+Na"	64.015768
"1722205"	350.228593	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+NH4+HCOOH"	64.039293
"1182091"	118.385651333333	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+3Na"	68.967654
"1655265"	355.183988	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Na+HCOOH"	68.994688
"162126"	649.29764	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+2K-H"	76.91904
"604966"	935.48694	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+2K-H"	76.91904
"1093851"	363.10834	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2K-H"	76.91904
"147389"	325.152458	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"2M+2K"	77.926316
"583669"	468.247108	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"3M+2K"	77.926316
"1074743"	182.057808	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2K"	77.926316
"1106860"	365.122892	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2K+H"	78.933592
"1343245"	365.210507	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+DMSO+H"	79.021207
"1011773"	369.249676	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2ACN+H"	83.060376
"1529899"	370.243308	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+IsoProp+Na+H"	84.054008
"993067"	185.128476	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+2ACN+2H"	84.067652
"1591943"	371.157928	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+K+HCOOH"	84.968628
"1415538"	401.189438	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+H+CF3COOH"	115.000138
"1148984"	205.641751	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+3ACN+2H"	125.094202
"1702913"	418.215985	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+NH4+CF3COOH"	132.026685
"1646218"	423.17138	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+Na+CF3COOH"	136.98208
"1580774"	439.14532	"C11333"	"N-Acetyl-leucyl-leucine"	"C14H26N2O4"	"286.1893"	"M+K+CF3COOH"	152.95602
"805672"	109.0658	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M"	0
"982486"	90.04741	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-H2O-H"	-19.01839
"74009"	71.7032573333333	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M-3H"	-3.021828
"513568"	108.058524	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M-3H"	-3.021828
"889182"	35.3479906666667	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-3H"	-3.021828
"14324"	108.058524	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M-2H"	-2.014552
"451696"	162.591424	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M-2H"	-2.014552
"832536"	53.525624	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-2H"	-2.014552
"94234"	217.124324	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M-H"	-1.007276
"529057"	326.190124	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M-H"	-1.007276
"909041"	108.058524	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-H"	-1.007276
"62690"	234.150871	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M-2H+NH4"	16.019271
"500788"	343.216671	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M-2H+NH4"	16.019271
"869846"	125.085071	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-2H+NH4"	16.019271
"38837"	239.106266	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M-2H+Na"	20.974666
"476211"	348.172066	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M-2H+Na"	20.974666
"854016"	130.040466	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-2H+Na"	20.974666
"1629021"	130.040466	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Na-2H"	20.974666
"100082"	126.046863	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M-H+Cl"	33.962126
"545120"	180.579763	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M-H+Cl"	33.962126
"938998"	71.513963	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-H+Cl"	33.962126
"280106"	253.101002	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+Cl"	34.969402
"672527"	362.166802	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+Cl"	34.969402
"1286021"	144.035202	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Cl"	34.969402
"26752"	255.080206	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M-2H+K"	36.948606
"465218"	364.146006	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M-2H+K"	36.948606
"837551"	146.014406	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-2H+K"	36.948606
"1570156"	146.014406	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+K-2H"	36.948606
"957674"	154.063994	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-H+HCOOH"	44.998194
"370419"	263.129801	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+HCOOH-H"	44.998201
"348835"	277.145451	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+Hac-H"	59.013851
"1497668"	168.079651	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Hac-H"	59.013851
"967396"	176.045951	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-H+NaCOOH"	66.980151
"113020"	144.035202	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+2Cl"	69.938804
"554771"	198.568102	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+2Cl"	69.938804
"1024660"	89.502302	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2Cl"	69.938804
"1254095"	187.984685	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Br"	78.918885
"1317637"	190.040672	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Cl+HCOOH"	80.974872
"1329297"	212.022629	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Cl+NaCOOH"	102.956829
"925098"	222.051386	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M-H+CF3COOH"	112.985586
"1303271"	258.028064	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Cl+CF3COOH"	148.962264
"1382498"	74.053124	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H-2H2O"	-35.012676
"1397718"	92.0631	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H-H2O"	-17.0027
"297524"	219.138876	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+H"	1.007276
"690798"	328.204676	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+H"	1.007276
"1366540"	110.073076	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H"	1.007276
"141183"	110.073076	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+2H"	2.014552
"581203"	164.605976	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+2H"	2.014552
"1047181"	55.540176	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2H"	2.014552
"218360"	73.7178093333333	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+3H"	3.021828
"656829"	110.073076	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+3H"	3.021828
"1177749"	37.3625426666667	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+3H"	3.021828
"436403"	236.165423	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+NH4"	18.033823
"792662"	345.231223	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+NH4"	18.033823
"1688992"	127.099623	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+NH4"	18.033823
"338363"	118.5863495	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+H+NH4"	19.041099
"736251"	173.1192495	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+H+NH4"	19.041099
"1483510"	64.0534495	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H+NH4"	19.041099
"408115"	241.120818	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+Na"	22.989218
"769727"	350.186618	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+Na"	22.989218
"1618103"	132.055018	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Na"	22.989218
"329311"	121.064047	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+H+Na"	23.996494
"720307"	175.596947	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+H+Na"	23.996494
"1471940"	66.531147	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H+Na"	23.996494
"1067382"	44.6898566666667	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2H+Na"	25.00377
"1271248"	142.099286	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+CH3OH+H"	33.033486
"389823"	257.094758	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+K"	38.963158
"746444"	366.160558	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+K"	38.963158
"1549590"	148.028958	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+K"	38.963158
"313327"	129.051017	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+H+K"	39.970434
"706117"	183.583917	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+H+K"	39.970434
"1459567"	74.518117	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H+K"	39.970434
"250353"	260.165426	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+ACN+H"	42.033826
"1224158"	151.099626	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+ACN+H"	42.033826
"1205855"	76.053451	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+ACN+2H"	43.041102
"199821"	263.10276	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+2Na-H"	44.97116
"641203"	372.16856	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+2Na-H"	44.97116
"1132439"	154.03696	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2Na-H"	44.97116
"182896"	132.055018	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+2Na"	45.978436
"617357"	186.587918	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+2Na"	45.978436
"1129256"	77.522118	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2Na"	45.978436
"1406220"	52.0171706666667	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H+2Na"	46.985712
"1442710"	156.078546	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H+HCOOH"	47.012746
"234228"	137.08804	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+3H2O+2H"	56.04448
"1520466"	170.13059	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+IsoProp+H"	61.06479
"417965"	140.041988	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+Na+K"	61.952376
"783335"	194.574888	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+Na+K"	61.952376
"1678573"	85.509088	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Na+K"	61.952376
"259627"	282.147368	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+ACN+Na"	64.015768
"1236710"	173.081568	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+ACN+Na"	64.015768
"1724502"	173.105093	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+NH4+HCOOH"	64.039293
"1184389"	59.3444846666667	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+3Na"	68.967654
"1657564"	178.060488	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Na+HCOOH"	68.994688
"166612"	295.05064	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+2K-H"	76.91904
"599608"	404.11644	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+2K-H"	76.91904
"1089592"	185.98484	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2K-H"	76.91904
"147500"	148.028958	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"2M+2K"	77.926316
"584870"	202.561858	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"3M+2K"	77.926316
"1071571"	93.496058	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2K"	77.926316
"1105873"	187.999392	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2K+H"	78.933592
"1344445"	188.087007	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+DMSO+H"	79.021207
"1009696"	192.126176	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2ACN+H"	83.060376
"1531102"	193.119808	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+IsoProp+Na+H"	84.054008
"992081"	96.566726	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+2ACN+2H"	84.067652
"1589860"	194.034428	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+K+HCOOH"	84.968628
"1415037"	224.065938	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+H+CF3COOH"	115.000138
"1147758"	117.080001	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+3ACN+2H"	125.094202
"1698648"	241.092485	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+NH4+CF3COOH"	132.026685
"1646328"	246.04788	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+Na+CF3COOH"	136.98208
"1580885"	262.02182	"C11335"	"NNN-Trimethylmethanaminium chloride;Tetramethylammonium chloride"	"C4H12NCl"	"109.0658"	"M+K+CF3COOH"	152.95602
"801569"	485.0762	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M"	0
"980410"	466.05781	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-H2O-H"	-19.01839
"69746"	322.376857333333	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M-3H"	-3.021828
"511492"	484.068924	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M-3H"	-3.021828
"888199"	160.684790666667	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-3H"	-3.021828
"3490"	484.068924	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M-2H"	-2.014552
"441959"	726.607024	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M-2H"	-2.014552
"830337"	241.530824	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-2H"	-2.014552
"94216"	969.145124	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M-H"	-1.007276
"529167"	1454.221324	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M-H"	-1.007276
"906964"	484.068924	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-H"	-1.007276
"62787"	986.171671	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M-2H+NH4"	16.019271
"499805"	1471.247871	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M-2H+NH4"	16.019271
"874326"	501.095471	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-2H+NH4"	16.019271
"36761"	991.127066	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M-2H+Na"	20.974666
"475228"	1476.203266	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M-2H+Na"	20.974666
"855220"	506.050866	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-2H+Na"	20.974666
"1628038"	506.050866	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Na-2H"	20.974666
"100192"	502.057263	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M-H+Cl"	33.962126
"547781"	744.595363	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M-H+Cl"	33.962126
"940565"	259.519163	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-H+Cl"	33.962126
"281673"	1005.121802	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+Cl"	34.969402
"674093"	1490.198002	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+Cl"	34.969402
"1286495"	520.045602	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Cl"	34.969402
"26498"	1007.101006	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M-2H+K"	36.948606
"465328"	1492.177206	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M-2H+K"	36.948606
"837661"	522.024806	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-2H+K"	36.948606
"1568807"	522.024806	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+K-2H"	36.948606
"957298"	530.074394	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-H+HCOOH"	44.998194
"370529"	1015.150601	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+HCOOH-H"	44.998201
"348945"	1029.166251	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+Hac-H"	59.013851
"1497778"	544.090051	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Hac-H"	59.013851
"964226"	552.056351	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-H+NaCOOH"	66.980151
"110942"	520.045602	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+2Cl"	69.938804
"554881"	762.583702	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+2Cl"	69.938804
"1021854"	277.507502	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2Cl"	69.938804
"1253110"	563.995085	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Br"	78.918885
"1317381"	566.051072	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Cl+HCOOH"	80.974872
"1330500"	588.033029	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Cl+NaCOOH"	102.956829
"919738"	598.061786	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M-H+CF3COOH"	112.985586
"1303866"	634.038464	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Cl+CF3COOH"	148.962264
"1382027"	450.063524	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H-2H2O"	-35.012676
"1397823"	468.0735	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H-H2O"	-17.0027
"289248"	971.159676	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+H"	1.007276
"686042"	1456.235876	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+H"	1.007276
"1364212"	486.083476	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H"	1.007276
"138925"	486.083476	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+2H"	2.014552
"577395"	728.621576	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+2H"	2.014552
"1045102"	243.545376	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2H"	2.014552
"215190"	324.391409333333	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+3H"	3.021828
"647462"	486.083476	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+3H"	3.021828
"1174699"	162.699342666667	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+3H"	3.021828
"432867"	988.186223	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+NH4"	18.033823
"788396"	1473.262423	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+NH4"	18.033823
"1686915"	503.110023	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+NH4"	18.033823
"338473"	494.5967495	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+H+NH4"	19.041099
"730894"	737.1348495	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+H+NH4"	19.041099
"1483620"	252.0586495	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H+NH4"	19.041099
"406683"	993.141618	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+Na"	22.989218
"768408"	1478.217818	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+Na"	22.989218
"1615778"	508.065418	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Na"	22.989218
"327633"	497.074447	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+H+Na"	23.996494
"716043"	739.612547	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+H+Na"	23.996494
"1472050"	254.536347	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H+Na"	23.996494
"1065305"	170.026656666667	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2H+Na"	25.00377
"1266984"	518.109686	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+CH3OH+H"	33.033486
"387745"	1009.115558	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+K"	38.963158
"746554"	1494.191758	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+K"	38.963158
"1548606"	524.039358	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+K"	38.963158
"310157"	505.061417	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+H+K"	39.970434
"703310"	747.599517	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+H+K"	39.970434
"1458583"	262.523317	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H+K"	39.970434
"248277"	1012.186226	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+ACN+H"	42.033826
"1222810"	527.110026	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+ACN+H"	42.033826
"1205965"	264.058651	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+ACN+2H"	43.041102
"194464"	1015.12356	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+2Na-H"	44.97116
"638397"	1500.19976	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+2Na-H"	44.97116
"1135708"	530.04736	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2Na-H"	44.97116
"177539"	508.065418	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+2Na"	45.978436
"613819"	750.603518	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+2Na"	45.978436
"1128272"	265.527318	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2Na"	45.978436
"1407423"	177.353970666667	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H+2Na"	46.985712
"1443913"	532.088946	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H+HCOOH"	47.012746
"233974"	513.09844	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+3H2O+2H"	56.04448
"1519483"	546.14099	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+IsoProp+H"	61.06479
"418075"	516.052388	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+Na+K"	61.952376
"783445"	758.590488	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+Na+K"	61.952376
"1678683"	273.514288	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Na+K"	61.952376
"263015"	1034.168168	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+ACN+Na"	64.015768
"1235726"	549.091968	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+ACN+Na"	64.015768
"1723519"	549.115493	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+NH4+HCOOH"	64.039293
"1184499"	184.681284666667	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+3Na"	68.967654
"1659861"	554.070888	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Na+HCOOH"	68.994688
"166722"	1047.07144	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+2K-H"	76.91904
"598502"	1532.14764	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+2K-H"	76.91904
"1090066"	561.99524	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2K-H"	76.91904
"146152"	524.039358	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"2M+2K"	77.926316
"583523"	766.577458	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"3M+2K"	77.926316
"1071680"	281.501258	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2K"	77.926316
"1103797"	564.009792	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2K+H"	78.933592
"1344555"	564.097407	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+DMSO+H"	79.021207
"1009806"	568.136576	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2ACN+H"	83.060376
"1531212"	569.130208	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+IsoProp+Na+H"	84.054008
"992191"	284.571926	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+2ACN+2H"	84.067652
"1590334"	570.044828	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+K+HCOOH"	84.968628
"1415390"	600.076338	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+H+CF3COOH"	115.000138
"1147300"	305.085201	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+3ACN+2H"	125.094202
"1698758"	617.102885	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+NH4+CF3COOH"	132.026685
"1643158"	622.05828	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+Na+CF3COOH"	136.98208
"1580995"	638.03222	"C11336"	"Mersalyl acid"	"C13H17HgNO6"	"485.0762"	"M+K+CF3COOH"	152.95602
"801883"	240.0488	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M"	0
"980520"	221.03041	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H2O-H"	-19.01839
"69856"	159.025257333333	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-3H"	-3.021828
"511602"	239.041524	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-3H"	-3.021828
"888309"	79.0089906666667	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-3H"	-3.021828
"2507"	239.041524	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H"	-2.014552
"444255"	359.065924	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H"	-2.014552
"830083"	119.017124	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H"	-2.014552
"93356"	479.090324	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-H"	-1.007276
"530372"	719.139124	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-H"	-1.007276
"909992"	239.041524	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H"	-1.007276
"61575"	496.116871	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H+NH4"	16.019271
"501986"	736.165671	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H+NH4"	16.019271
"877716"	256.068071	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H+NH4"	16.019271
"40151"	501.072266	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H+Na"	20.974666
"482992"	741.121066	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H+Na"	20.974666
"856420"	261.023466	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H+Na"	20.974666
"1621584"	261.023466	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na-2H"	20.974666
"103581"	257.029863	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-H+Cl"	33.962126
"548252"	377.054263	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-H+Cl"	33.962126
"940310"	137.005463	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+Cl"	33.962126
"281418"	515.067002	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Cl"	34.969402
"671651"	755.115802	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+Cl"	34.969402
"1285876"	275.018202	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl"	34.969402
"25879"	517.046206	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M-2H+K"	36.948606
"467625"	757.095006	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M-2H+K"	36.948606
"837771"	276.997406	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-2H+K"	36.948606
"1567823"	276.997406	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K-2H"	36.948606
"956799"	285.046994	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+HCOOH"	44.998194
"370639"	525.095801	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+HCOOH-H"	44.998201
"352335"	539.111451	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Hac-H"	59.013851
"1497888"	299.062651	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Hac-H"	59.013851
"965429"	307.028951	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+NaCOOH"	66.980151
"111782"	275.018202	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2Cl"	69.938804
"553898"	395.042602	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2Cl"	69.938804
"1021965"	154.993802	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2Cl"	69.938804
"1253220"	318.967685	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Br"	78.918885
"1317126"	321.023672	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl+HCOOH"	80.974872
"1329881"	343.005629	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl+NaCOOH"	102.956829
"918755"	353.034386	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M-H+CF3COOH"	112.985586
"1301299"	389.011064	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Cl+CF3COOH"	148.962264
"1381285"	205.036124	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H-2H2O"	-35.012676
"1397688"	223.0461	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H-H2O"	-17.0027
"292638"	481.104876	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H"	1.007276
"682872"	721.153676	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H"	1.007276
"1361771"	241.056076	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H"	1.007276
"138670"	241.056076	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2H"	2.014552
"572039"	361.080476	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2H"	2.014552
"1040840"	121.031676	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2H"	2.014552
"209833"	161.039809333333	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+3H"	3.021828
"654859"	241.056076	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+3H"	3.021828
"1171892"	81.0235426666667	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+3H"	3.021828
"428604"	498.131423	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+NH4"	18.033823
"785748"	738.180223	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+NH4"	18.033823
"1689211"	258.082623	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+NH4"	18.033823
"338583"	249.5693495	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H+NH4"	19.041099
"728817"	369.5937495	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H+NH4"	19.041099
"1483730"	129.5449495	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+NH4"	19.041099
"405696"	503.086818	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Na"	22.989218
"764503"	743.135618	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+Na"	22.989218
"1618346"	263.038018	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na"	22.989218
"327743"	252.047047	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H+Na"	23.996494
"712874"	372.071447	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H+Na"	23.996494
"1464507"	132.022647	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+Na"	23.996494
"1064321"	88.3508566666667	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2H+Na"	25.00377
"1271104"	273.082286	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+CH3OH+H"	33.033486
"388950"	519.060758	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+K"	38.963158
"748851"	759.109558	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+K"	38.963158
"1553090"	279.011958	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K"	38.963158
"311727"	260.034017	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+H+K"	39.970434
"703783"	380.058417	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+H+K"	39.970434
"1457599"	140.009617	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+K"	39.970434
"247294"	522.131426	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+ACN+H"	42.033826
"1223284"	282.082626	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+ACN+H"	42.033826
"1204982"	141.544951	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+ACN+2H"	43.041102
"192384"	525.06876	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2Na-H"	44.97116
"635227"	765.11756	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2Na-H"	44.97116
"1135818"	285.01996	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2Na-H"	44.97116
"177649"	263.038018	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2Na"	45.978436
"616482"	383.062418	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2Na"	45.978436
"1129476"	143.013618	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2Na"	45.978436
"1408627"	95.6781706666667	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+2Na"	46.985712
"1440743"	287.061546	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+HCOOH"	47.012746
"233719"	268.07104	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+3H2O+2H"	56.04448
"1520687"	301.11359	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+IsoProp+H"	61.06479
"418185"	271.024988	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+Na+K"	61.952376
"782463"	391.049388	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+Na+K"	61.952376
"1676608"	151.000588	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na+K"	61.952376
"262032"	544.113368	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+ACN+Na"	64.015768
"1232920"	304.064568	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+ACN+Na"	64.015768
"1723629"	304.088093	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+NH4+HCOOH"	64.039293
"1181693"	103.005484666667	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+3Na"	68.967654
"1659971"	309.043488	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na+HCOOH"	68.994688
"164645"	557.01664	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2K-H"	76.91904
"599100"	797.06544	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2K-H"	76.91904
"1089447"	316.96784	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2K-H"	76.91904
"145534"	279.011958	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"2M+2K"	77.926316
"582907"	399.036358	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"3M+2K"	77.926316
"1072886"	158.987558	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2K"	77.926316
"1105000"	318.982392	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2K+H"	78.933592
"1344665"	319.070007	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+DMSO+H"	79.021207
"1009916"	323.109176	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2ACN+H"	83.060376
"1530229"	324.102808	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+IsoProp+Na+H"	84.054008
"991208"	162.058226	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+2ACN+2H"	84.067652
"1590081"	325.017428	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K+HCOOH"	84.968628
"1415378"	355.048938	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+H+CF3COOH"	115.000138
"1147493"	182.571501	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+3ACN+2H"	125.094202
"1698868"	372.075485	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+NH4+CF3COOH"	132.026685
"1643268"	377.03088	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+Na+CF3COOH"	136.98208
"1581105"	393.00482	"C11337"	"Tetramisole hydrochloride;(-)-Tetramisole hydrochloride"	"C11H12N2SHCl"	"240.0488"	"M+K+CF3COOH"	152.95602
"804909"	196.1463	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M"	0
"982816"	177.12791	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"71059"	129.756924	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"511712"	195.139024	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"888419"	64.374824	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"3710"	195.139024	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"445458"	293.212174	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"828734"	97.065874	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"90913"	391.285324	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"528294"	587.431624	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"907554"	195.139024	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"57918"	408.311871	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"499909"	604.458171	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"877826"	212.165571	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"38075"	413.267266	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"482009"	609.413566	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"856530"	217.120966	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1620601"	217.120966	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"103691"	213.127363	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"544352"	311.200513	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"939327"	115.054213	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"280800"	427.262002	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"671033"	623.408302	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1285622"	231.115702	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"24895"	429.241206	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"468831"	625.387506	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"845534"	233.094906	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1567933"	233.094906	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"954723"	241.144494	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"370749"	437.290801	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"352445"	451.306451	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1497998"	255.160151	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"962259"	263.126451	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"113350"	231.115702	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"554008"	329.188852	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1024990"	133.042552	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1251140"	275.065185	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1311401"	277.121172	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1326709"	299.103129	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"922145"	309.131886	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1302866"	345.108564	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1382124"	161.133624	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1397434"	179.1436	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"292748"	393.299876	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"682982"	589.446176	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1361152"	197.153576	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"139144"	197.153576	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"572147"	295.226726	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1039491"	99.080426	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"209942"	131.771476	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"649502"	197.153576	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1172002"	66.389376	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"426527"	410.326423	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"788617"	606.472723	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1691508"	214.180123	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"338693"	205.6668495	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"728927"	303.7399995	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1483840"	107.5936995	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"405442"	415.281818	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"764613"	611.428118	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1617822"	219.135518	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"323843"	208.144547	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"712984"	306.217697	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1464981"	110.071397	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1066617"	73.71669	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1265017"	229.179786	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"390153"	431.255758	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"746774"	627.402058	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1554294"	235.109458	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"312201"	216.131517	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"703894"	314.204667	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1457345"	118.058367	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"246312"	434.326426	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1217926"	238.180126	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1201811"	119.593701	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"191401"	437.26376	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"634244"	633.41006	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1131378"	241.11746	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"177759"	219.135518	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"615375"	317.208668	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1130929"	121.062368	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1412017"	81.044004	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1443769"	243.159046	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"233829"	224.16854	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1523349"	257.21109	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"422669"	227.122488	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"782575"	325.195638	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1679999"	129.049338	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"264330"	456.308368	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1233030"	260.162068	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1722646"	260.185593	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1185083"	88.371318	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1660081"	265.140988	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"161109"	469.21164	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"603221"	665.35794	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1089192"	273.06534	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"145645"	235.109458	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"581923"	333.182608	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1071904"	137.036308	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1102923"	275.079892	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1342588"	275.167507	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1008933"	279.206676	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1528152"	280.200308	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"990587"	140.106976	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1588368"	281.114928	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1414761"	311.146438	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1148332"	160.620251	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1698978"	328.172985	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1643378"	333.12838	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1581215"	349.10232	"C11338"	"Bornyl acetate;(1R2S4R)-()-Bornyl acetate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"810487"	548.2734	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M"	0
"984019"	529.25501	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-H2O-H"	-19.01839
"74448"	364.508324	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M-3H"	-3.021828
"514010"	547.266124	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M-3H"	-3.021828
"889622"	181.750524	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-3H"	-3.021828
"3820"	547.266124	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M-2H"	-2.014552
"446661"	821.402824	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M-2H"	-2.014552
"820452"	273.129424	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-2H"	-2.014552
"92483"	1095.539524	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M-H"	-1.007276
"529133"	1643.812924	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M-H"	-1.007276
"908390"	547.266124	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-H"	-1.007276
"59850"	1112.566071	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M-2H+NH4"	16.019271
"501717"	1660.839471	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M-2H+NH4"	16.019271
"875750"	564.292671	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-2H+NH4"	16.019271
"44744"	1117.521466	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M-2H+Na"	20.974666
"477745"	1665.794866	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M-2H+Na"	20.974666
"852266"	569.248066	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-2H+Na"	20.974666
"1620711"	569.248066	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Na-2H"	20.974666
"102709"	565.254463	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M-H+Cl"	33.962126
"547746"	839.391163	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M-H+Cl"	33.962126
"942238"	291.117763	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-H+Cl"	33.962126
"281643"	1131.516202	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+Cl"	34.969402
"675321"	1679.789602	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+Cl"	34.969402
"1287561"	583.242802	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Cl"	34.969402
"27559"	1133.495406	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M-2H+K"	36.948606
"468940"	1681.768806	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M-2H+K"	36.948606
"845644"	585.222006	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-2H+K"	36.948606
"1566950"	585.222006	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+K-2H"	36.948606
"953738"	593.271594	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-H+HCOOH"	44.998194
"370859"	1141.545001	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+HCOOH-H"	44.998201
"354741"	1155.560651	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+Hac-H"	59.013851
"1498108"	607.287251	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Hac-H"	59.013851
"965649"	615.253551	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-H+NaCOOH"	66.980151
"114553"	583.242802	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+2Cl"	69.938804
"555211"	857.379502	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+2Cl"	69.938804
"1025100"	309.106102	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2Cl"	69.938804
"1251250"	627.192285	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Br"	78.918885
"1310418"	629.248272	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Cl+HCOOH"	80.974872
"1324632"	651.230229	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Cl+NaCOOH"	102.956829
"920068"	661.258986	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M-H+CF3COOH"	112.985586
"1293494"	697.235664	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Cl+CF3COOH"	148.962264
"1380045"	513.260724	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H-2H2O"	-35.012676
"1397179"	531.2707	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H-H2O"	-17.0027
"292130"	1097.554076	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+H"	1.007276
"684551"	1645.827476	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+H"	1.007276
"1364179"	549.280676	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H"	1.007276
"139621"	549.280676	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+2H"	2.014552
"572257"	823.417376	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+2H"	2.014552
"1043247"	275.143976	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2H"	2.014552
"213333"	366.522876	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+3H"	3.021828
"649612"	549.280676	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+3H"	3.021828
"1172112"	183.765076	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+3H"	3.021828
"424688"	1114.580623	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+NH4"	18.033823
"794193"	1662.854023	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+NH4"	18.033823
"1690524"	566.307223	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+NH4"	18.033823
"338803"	557.7939495	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+H+NH4"	19.041099
"732317"	831.9306495	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+H+NH4"	19.041099
"1485043"	283.6572495	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H+NH4"	19.041099
"405552"	1119.536018	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+Na"	22.989218
"769224"	1667.809418	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+Na"	22.989218
"1617446"	571.262618	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Na"	22.989218
"325046"	560.271647	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+H+Na"	23.996494
"710907"	834.408347	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+H+Na"	23.996494
"1466914"	286.134947	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H+Na"	23.996494
"1066725"	191.09239	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2H+Na"	25.00377
"1269504"	581.306886	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+CH3OH+H"	33.033486
"390264"	1135.509958	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+K"	38.963158
"749071"	1683.783358	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+K"	38.963158
"1554404"	587.236558	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+K"	38.963158
"313162"	568.258617	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+H+K"	39.970434
"702912"	842.395317	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+H+K"	39.970434
"1459643"	294.121917	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H+K"	39.970434
"248245"	1138.580626	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+ACN+H"	42.033826
"1220955"	590.307226	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+ACN+H"	42.033826
"1200826"	295.657251	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+ACN+2H"	43.041102
"191511"	1141.51796	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+2Na-H"	44.97116
"634354"	1689.79136	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+2Na-H"	44.97116
"1133001"	593.24456	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2Na-H"	44.97116
"177870"	571.262618	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+2Na"	45.978436
"615243"	845.399318	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+2Na"	45.978436
"1130797"	297.125918	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2Na"	45.978436
"1413225"	198.419704	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H+2Na"	46.985712
"1443880"	595.286146	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H+HCOOH"	47.012746
"235038"	576.29564	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+3H2O+2H"	56.04448
"1519814"	609.33819	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+IsoProp+H"	61.06479
"422053"	579.249588	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+Na+K"	61.952376
"780497"	853.386288	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+Na+K"	61.952376
"1680600"	305.112888	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Na+K"	61.952376
"264440"	1160.562568	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+ACN+Na"	64.015768
"1234233"	612.289168	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+ACN+Na"	64.015768
"1723850"	612.312693	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+NH4+HCOOH"	64.039293
"1181184"	205.747018	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+3Na"	68.967654
"1659097"	617.268088	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Na+HCOOH"	68.994688
"161219"	1173.46584	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+2K-H"	76.91904
"601509"	1721.73924	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+2K-H"	76.91904
"1093680"	625.19244	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2K-H"	76.91904
"150130"	587.236558	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"2M+2K"	77.926316
"587503"	861.373258	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"3M+2K"	77.926316
"1070921"	313.099858	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2K"	77.926316
"1102307"	627.206992	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2K+H"	78.933592
"1339420"	627.294607	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+DMSO+H"	79.021207
"1009044"	631.333776	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2ACN+H"	83.060376
"1524493"	632.327408	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+IsoProp+Na+H"	84.054008
"990819"	316.170526	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+2ACN+2H"	84.067652
"1588844"	633.242028	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+K+HCOOH"	84.968628
"1415114"	663.273538	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+H+CF3COOH"	115.000138
"1147341"	336.683801	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+3ACN+2H"	125.094202
"1703462"	680.300085	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+NH4+CF3COOH"	132.026685
"1643488"	685.25548	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+Na+CF3COOH"	136.98208
"1581325"	701.22942	"C11339"	"Antimycin A1"	"C28H40N2O9"	"548.2734"	"M+K+CF3COOH"	152.95602
"802942"	665.737	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M"	0
"984129"	646.71861	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-H2O-H"	-19.01839
"71279"	442.817390666667	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M-3H"	-3.021828
"514120"	664.729724	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M-3H"	-3.021828
"889732"	220.905057333333	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-3H"	-3.021828
"3930"	664.729724	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M-2H"	-2.014552
"446771"	997.598224	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M-2H"	-2.014552
"820198"	331.861224	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-2H"	-2.014552
"93079"	1330.466724	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M-H"	-1.007276
"527422"	1996.203724	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M-H"	-1.007276
"909231"	664.729724	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-H"	-1.007276
"61660"	1347.493271	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M-2H+NH4"	16.019271
"501949"	2013.230271	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M-2H+NH4"	16.019271
"874767"	681.756271	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-2H+NH4"	16.019271
"45826"	1352.448666	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M-2H+Na"	20.974666
"477855"	2018.185666	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M-2H+Na"	20.974666
"854562"	686.711666	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-2H+Na"	20.974666
"1624100"	686.711666	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Na-2H"	20.974666
"103912"	682.718063	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M-H+Cl"	33.962126
"547490"	1015.586563	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M-H+Cl"	33.962126
"941984"	349.849563	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-H+Cl"	33.962126
"281021"	1366.443402	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+Cl"	34.969402
"674535"	2032.180402	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+Cl"	34.969402
"1287302"	700.706402	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Cl"	34.969402
"27669"	1368.422606	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M-2H+K"	36.948606
"469049"	2034.159606	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M-2H+K"	36.948606
"844661"	702.685606	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-2H+K"	36.948606
"1565967"	702.685606	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+K-2H"	36.948606
"957738"	710.735194	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-H+HCOOH"	44.998194
"376072"	1376.472201	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+HCOOH-H"	44.998201
"354852"	1390.487851	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+Hac-H"	59.013851
"1501498"	724.750851	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Hac-H"	59.013851
"965759"	732.717151	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-H+NaCOOH"	66.980151
"115027"	700.706402	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+2Cl"	69.938804
"558601"	1033.574902	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+2Cl"	69.938804
"1026303"	367.837902	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2Cl"	69.938804
"1250267"	744.655885	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Br"	78.918885
"1315994"	746.711872	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Cl+HCOOH"	80.974872
"1326930"	768.693829	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Cl+NaCOOH"	102.956829
"920177"	778.722586	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M-H+CF3COOH"	112.985586
"1295791"	814.699264	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Cl+CF3COOH"	148.962264
"1379426"	630.724324	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H-2H2O"	-35.012676
"1398436"	648.7343	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H-H2O"	-17.0027
"291146"	1332.481276	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+H"	1.007276
"680287"	1998.218276	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+H"	1.007276
"1364654"	666.744276	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H"	1.007276
"139733"	666.744276	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+2H"	2.014552
"573460"	999.612776	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+2H"	2.014552
"1044446"	333.875776	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2H"	2.014552
"210163"	444.831942666667	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+3H"	3.021828
"649721"	666.744276	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+3H"	3.021828
"1163835"	222.919609333333	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+3H"	3.021828
"426747"	1349.507823	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+NH4"	18.033823
"788836"	2015.244823	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+NH4"	18.033823
"1685167"	683.770823	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+NH4"	18.033823
"336726"	675.2575495	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+H+NH4"	19.041099
"732427"	1008.1260495	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+H+NH4"	19.041099
"1484061"	342.3890495	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H+NH4"	19.041099
"406390"	1354.463218	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+Na"	22.989218
"769780"	2020.200218	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+Na"	22.989218
"1617674"	688.726218	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Na"	22.989218
"328682"	677.735247	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+H+Na"	23.996494
"712110"	1010.603747	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+H+Na"	23.996494
"1467024"	344.866747	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H+Na"	23.996494
"1068462"	230.246923333333	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2H+Na"	25.00377
"1270706"	698.770486	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+CH3OH+H"	33.033486
"392076"	1370.437158	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+K"	38.963158
"749181"	2036.174158	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+K"	38.963158
"1554514"	704.700158	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+K"	38.963158
"313034"	685.722217	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+H+K"	39.970434
"705573"	1018.590717	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+H+K"	39.970434
"1459754"	352.853717	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H+K"	39.970434
"248720"	1373.507826	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+ACN+H"	42.033826
"1222522"	707.770826	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+ACN+H"	42.033826
"1199842"	354.389051	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+ACN+2H"	43.041102
"194901"	1376.44516	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+2Na-H"	44.97116
"637744"	2042.18216	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+2Na-H"	44.97116
"1133111"	710.70816	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2Na-H"	44.97116
"177980"	688.726218	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+2Na"	45.978436
"615353"	1021.594718	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+2Na"	45.978436
"1130420"	355.857718	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2Na"	45.978436
"1413702"	237.574237333333	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H+2Na"	46.985712
"1445332"	712.749746	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H+HCOOH"	47.012746
"234050"	693.75924	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+3H2O+2H"	56.04448
"1522354"	726.80179	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+IsoProp+H"	61.06479
"423498"	696.713188	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+Na+K"	61.952376
"785473"	1029.581688	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+Na+K"	61.952376
"1679977"	363.844688	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Na+K"	61.952376
"265644"	1395.489768	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+ACN+Na"	64.015768
"1236166"	729.752768	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+ACN+Na"	64.015768
"1722868"	729.776293	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+NH4+HCOOH"	64.039293
"1184210"	244.901551333333	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+3Na"	68.967654
"1660301"	734.731688	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Na+HCOOH"	68.994688
"164245"	1408.39304	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+2K-H"	76.91904
"601619"	2074.13004	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+2K-H"	76.91904
"1093426"	742.65604	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2K-H"	76.91904
"149147"	704.700158	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"2M+2K"	77.926316
"588707"	1037.568658	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"3M+2K"	77.926316
"1073218"	371.831658	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2K"	77.926316
"1105334"	744.670592	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2K+H"	78.933592
"1339530"	744.758207	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+DMSO+H"	79.021207
"1007210"	748.797376	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2ACN+H"	83.060376
"1525215"	749.791008	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+IsoProp+Na+H"	84.054008
"990321"	374.902326	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+2ACN+2H"	84.067652
"1588952"	750.705628	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+K+HCOOH"	84.968628
"1417171"	780.737138	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+H+CF3COOH"	115.000138
"1147076"	395.415601	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+3ACN+2H"	125.094202
"1705761"	797.763685	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+NH4+CF3COOH"	132.026685
"1649066"	802.71908	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+Na+CF3COOH"	136.98208
"1581435"	818.69302	"C11340"	"Antimony potassium tartrate"	"C8H4O12Sb22K3H2O"	"665.737"	"M+K+CF3COOH"	152.95602
"803052"	333.1365	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M"	0
"984239"	314.11811	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-H2O-H"	-19.01839
"74667"	221.083724	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M-3H"	-3.021828
"515321"	332.129224	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M-3H"	-3.021828
"885467"	110.038224	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-3H"	-3.021828
"7323"	332.129224	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M-2H"	-2.014552
"446881"	498.697474	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M-2H"	-2.014552
"823591"	165.560974	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-2H"	-2.014552
"93068"	665.265724	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M-H"	-1.007276
"529719"	998.402224	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M-H"	-1.007276
"910069"	332.129224	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-H"	-1.007276
"62015"	682.292271	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M-2H+NH4"	16.019271
"501213"	1015.428771	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M-2H+NH4"	16.019271
"872692"	349.155771	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-2H+NH4"	16.019271
"42778"	687.247666	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M-2H+Na"	20.974666
"476871"	1020.384166	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M-2H+Na"	20.974666
"852485"	354.111166	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-2H+Na"	20.974666
"1620930"	354.111166	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Na-2H"	20.974666
"106207"	350.117563	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M-H+Cl"	33.962126
"545412"	516.685813	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M-H+Cl"	33.962126
"938928"	183.549313	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-H+Cl"	33.962126
"280401"	701.242402	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+Cl"	34.969402
"670999"	1034.378902	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+Cl"	34.969402
"1284856"	368.105902	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Cl"	34.969402
"28143"	703.221606	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M-2H+K"	36.948606
"469888"	1036.358106	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M-2H+K"	36.948606
"843313"	370.085106	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-2H+K"	36.948606
"1568263"	370.085106	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+K-2H"	36.948606
"958258"	378.134694	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-H+HCOOH"	44.998194
"375818"	711.271201	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+HCOOH-H"	44.998201
"354962"	725.286851	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+Hac-H"	59.013851
"1504889"	392.150351	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Hac-H"	59.013851
"965869"	400.116651	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-H+NaCOOH"	66.980151
"116963"	368.105902	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+2Cl"	69.938804
"559804"	534.674152	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+2Cl"	69.938804
"1029696"	201.537652	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2Cl"	69.938804
"1248189"	412.055385	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Br"	78.918885
"1317197"	414.111372	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Cl+HCOOH"	80.974872
"1328133"	436.093329	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Cl+NaCOOH"	102.956829
"919192"	446.122086	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M-H+CF3COOH"	112.985586
"1293714"	482.098764	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Cl+CF3COOH"	148.962264
"1379535"	298.123824	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H-2H2O"	-35.012676
"1398089"	316.1338	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H-H2O"	-17.0027
"287976"	667.280276	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+H"	1.007276
"683677"	1000.416776	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+H"	1.007276
"1360024"	334.143776	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H"	1.007276
"134736"	334.143776	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+2H"	2.014552
"574664"	500.712026	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+2H"	2.014552
"1042369"	167.575526	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2H"	2.014552
"211366"	223.098276	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+3H"	3.021828
"650924"	334.143776	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+3H"	3.021828
"1164675"	112.052776	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+3H"	3.021828
"424911"	684.306823	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+NH4"	18.033823
"790040"	1017.443323	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+NH4"	18.033823
"1686370"	351.170323	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+NH4"	18.033823
"336836"	342.6570495	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+H+NH4"	19.041099
"732537"	509.2252995	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+H+NH4"	19.041099
"1484171"	176.0887995	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H+NH4"	19.041099
"407352"	689.262218	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+Na"	22.989218
"769811"	1022.398718	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+Na"	22.989218
"1618150"	356.125718	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Na"	22.989218
"327456"	345.134747	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+H+Na"	23.996494
"713313"	511.702997	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+H+Na"	23.996494
"1468227"	178.566497	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H+Na"	23.996494
"1068164"	119.38009	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2H+Na"	25.00377
"1268628"	366.169986	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+CH3OH+H"	33.033486
"389391"	705.236158	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+K"	38.963158
"748196"	1038.372658	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+K"	38.963158
"1553530"	372.099658	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+K"	38.963158
"313986"	353.121717	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+H+K"	39.970434
"704950"	519.689967	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+H+K"	39.970434
"1459498"	186.553467	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H+K"	39.970434
"248828"	708.306826	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+ACN+H"	42.033826
"1221535"	375.170326	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+ACN+H"	42.033826
"1202139"	188.088801	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+ACN+2H"	43.041102
"191730"	711.24416	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+2Na-H"	44.97116
"632385"	1044.38066	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+2Na-H"	44.97116
"1135890"	378.10766	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2Na-H"	44.97116
"173953"	356.125718	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+2Na"	45.978436
"615097"	522.693968	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+2Na"	45.978436
"1130287"	189.557468	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2Na"	45.978436
"1413562"	126.707404	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H+2Na"	46.985712
"1444834"	380.149246	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H+HCOOH"	47.012746
"232946"	361.15874	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+3H2O+2H"	56.04448
"1521128"	394.20129	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+IsoProp+H"	61.06479
"423978"	364.112688	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+Na+K"	61.952376
"785342"	530.680938	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+Na+K"	61.952376
"1680088"	197.544438	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Na+K"	61.952376
"266120"	730.288768	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+ACN+Na"	64.015768
"1235183"	397.152268	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+ACN+Na"	64.015768
"1722247"	397.175793	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+NH4+HCOOH"	64.039293
"1187236"	134.034718	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+3Na"	68.967654
"1660411"	402.131188	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Na+HCOOH"	68.994688
"163991"	743.19204	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+2K-H"	76.91904
"601729"	1076.32854	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+2K-H"	76.91904
"1091346"	410.05554	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2K-H"	76.91904
"147069"	372.099658	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"2M+2K"	77.926316
"584441"	538.667908	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"3M+2K"	77.926316
"1068827"	205.531408	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2K"	77.926316
"1101432"	412.070092	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2K+H"	78.933592
"1336722"	412.157707	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+DMSO+H"	79.021207
"1007078"	416.196876	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2ACN+H"	83.060376
"1526295"	417.190508	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+IsoProp+Na+H"	84.054008
"991521"	208.602076	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+2ACN+2H"	84.067652
"1589427"	418.105128	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+K+HCOOH"	84.968628
"1415573"	448.136638	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+H+CF3COOH"	115.000138
"1147563"	229.115351	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+3ACN+2H"	125.094202
"1700403"	465.163185	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+NH4+CF3COOH"	132.026685
"1648083"	470.11858	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+Na+CF3COOH"	136.98208
"1581545"	486.09252	"C11341"	"N-Acetylphenylalanine beta-naphthyl ester;N-Acetyl-DL-phenylalanine beta-naphthyl ester"	"C21H19NO3"	"333.1365"	"M+K+CF3COOH"	152.95602
"810817"	261.0637	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M"	0
"983256"	242.04531	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-H2O-H"	-19.01839
"74780"	173.035190666667	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M-3H"	-3.021828
"513245"	260.056424	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M-3H"	-3.021828
"884484"	86.0139573333333	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-3H"	-3.021828
"4153"	260.056424	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M-2H"	-2.014552
"444804"	390.588274	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M-2H"	-2.014552
"822607"	129.524574	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-2H"	-2.014552
"90262"	521.120124	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M-H"	-1.007276
"530194"	782.183824	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M-H"	-1.007276
"908360"	260.056424	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-H"	-1.007276
"60672"	538.146671	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M-2H+NH4"	16.019271
"501807"	799.210371	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M-2H+NH4"	16.019271
"872802"	277.082971	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-2H+NH4"	16.019271
"40701"	543.102066	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M-2H+Na"	20.974666
"473699"	804.165766	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M-2H+Na"	20.974666
"861344"	282.038366	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-2H+Na"	20.974666
"1629788"	282.038366	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Na-2H"	20.974666
"106319"	278.044763	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M-H+Cl"	33.962126
"546980"	408.576613	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M-H+Cl"	33.962126
"940861"	147.512913	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-H+Cl"	33.962126
"282172"	557.096802	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+Cl"	34.969402
"672932"	818.160502	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+Cl"	34.969402
"1286063"	296.033102	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Cl"	34.969402
"30442"	559.076006	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M-2H+K"	36.948606
"469999"	820.139706	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M-2H+K"	36.948606
"845976"	298.012306	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-2H+K"	36.948606
"1568011"	298.012306	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+K-2H"	36.948606
"954800"	306.061894	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-H+HCOOH"	44.998194
"372283"	567.125601	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+HCOOH-H"	44.998201
"352156"	581.141251	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+Hac-H"	59.013851
"1506461"	320.077551	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Hac-H"	59.013851
"970354"	328.043851	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-H+NaCOOH"	66.980151
"117073"	296.033102	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+2Cl"	69.938804
"563196"	426.564952	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+2Cl"	69.938804
"1030901"	165.501252	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2Cl"	69.938804
"1250486"	339.982585	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Br"	78.918885
"1317307"	342.038572	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Cl+HCOOH"	80.974872
"1328244"	364.020529	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Cl+NaCOOH"	102.956829
"919303"	374.049286	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M-H+CF3COOH"	112.985586
"1297106"	410.025964	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Cl+CF3COOH"	148.962264
"1381473"	226.051024	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H-2H2O"	-35.012676
"1397512"	244.061	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H-H2O"	-17.0027
"293549"	523.134676	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+H"	1.007276
"688161"	784.198376	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+H"	1.007276
"1364875"	262.070976	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H"	1.007276
"139950"	262.070976	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+2H"	2.014552
"575867"	392.602826	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+2H"	2.014552
"1045759"	131.539126	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2H"	2.014552
"211475"	175.049742666667	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+3H"	3.021828
"654315"	262.070976	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+3H"	3.021828
"1164786"	88.0285093333333	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+3H"	3.021828
"428061"	540.161223	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+NH4"	18.033823
"790150"	801.224923	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+NH4"	18.033823
"1687574"	279.097523	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+NH4"	18.033823
"338037"	270.5842495	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+H+NH4"	19.041099
"733740"	401.1160995	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+H+NH4"	19.041099
"1484281"	140.0523995	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H+NH4"	19.041099
"407346"	545.116618	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+Na"	22.989218
"769192"	806.180318	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+Na"	22.989218
"1617858"	284.052918	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Na"	22.989218
"328667"	273.061947	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+H+Na"	23.996494
"717798"	403.593797	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+H+Na"	23.996494
"1469430"	142.530097	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H+Na"	23.996494
"1066330"	95.3558233333333	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2H+Na"	25.00377
"1263273"	294.097186	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+CH3OH+H"	33.033486
"386221"	561.090558	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+K"	38.963158
"743936"	822.154258	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+K"	38.963158
"1543802"	300.026858	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+K"	38.963158
"304258"	281.048917	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+H+K"	39.970434
"699959"	411.580767	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+H+K"	39.970434
"1458880"	150.517067	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H+K"	39.970434
"241283"	564.161226	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+ACN+H"	42.033826
"1215085"	303.097526	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+ACN+H"	42.033826
"1194592"	152.052401	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+ACN+2H"	43.041102
"191837"	567.09856	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+2Na-H"	44.97116
"631405"	828.16226	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+2Na-H"	44.97116
"1134178"	306.03486	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2Na-H"	44.97116
"176012"	284.052918	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+2Na"	45.978436
"612857"	414.584768	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+2Na"	45.978436
"1119078"	153.521068	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2Na"	45.978436
"1410629"	102.683137333333	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H+2Na"	46.985712
"1439096"	308.076446	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H+HCOOH"	47.012746
"234998"	289.08594	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+3H2O+2H"	56.04448
"1523060"	322.12849	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+IsoProp+H"	61.06479
"423839"	292.039888	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+Na+K"	61.952376
"785205"	422.571738	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+Na+K"	61.952376
"1680691"	161.508038	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Na+K"	61.952376
"266837"	586.143168	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+ACN+Na"	64.015768
"1237482"	325.079468	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+ACN+Na"	64.015768
"1723086"	325.102993	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+NH4+HCOOH"	64.039293
"1189532"	110.010451333333	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+3Na"	68.967654
"1659427"	330.058388	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Na+HCOOH"	68.994688
"166287"	599.04644	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+2K-H"	76.91904
"604755"	860.11014	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+2K-H"	76.91904
"1091456"	337.98274	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2K-H"	76.91904
"147179"	300.026858	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"2M+2K"	77.926316
"590018"	430.558708	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"3M+2K"	77.926316
"1073438"	169.495008	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2K"	77.926316
"1103367"	339.997292	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2K+H"	78.933592
"1339750"	340.084907	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+DMSO+H"	79.021207
"1008282"	344.124076	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2ACN+H"	83.060376
"1526527"	345.117708	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+IsoProp+Na+H"	84.054008
"991759"	172.565676	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+2ACN+2H"	84.067652
"1588321"	346.032328	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+K+HCOOH"	84.968628
"1415561"	376.063838	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+H+CF3COOH"	115.000138
"1148159"	193.078951	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+3ACN+2H"	125.094202
"1697955"	393.090385	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+NH4+CF3COOH"	132.026685
"1643818"	398.04578	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+Na+CF3COOH"	136.98208
"1581655"	414.01972	"C11342"	"Oxolinic acid"	"C13H11NO5"	"261.0637"	"M+K+CF3COOH"	152.95602
"802179"	153.0426	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M"	0
"984460"	134.02421	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"70515"	101.021124	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"512260"	152.035324	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"884594"	50.006924	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"2802"	152.035324	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"440335"	228.556624	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"819555"	75.514024	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"92195"	305.077924	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"530305"	458.120524	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"908469"	152.035324	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"59566"	322.104471	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"501189"	475.147071	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"878381"	169.061871	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"38624"	327.059866	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"480373"	480.102466	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"858174"	174.017266	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1632450"	174.017266	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"107526"	170.023663	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"547819"	246.544963	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"940607"	93.502363	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"282079"	341.054602	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"673406"	494.097202	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1286173"	188.012002	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"28364"	343.033806	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"471347"	496.076406	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"847062"	189.991206	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1567757"	189.991206	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"955641"	198.040794	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"373852"	351.083401	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"360285"	365.099051	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1505843"	212.056451	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"970464"	220.022751	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"121557"	188.012002	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"562213"	264.533302	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1032104"	111.490702	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1249503"	231.961485	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1318879"	234.017472	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1327261"	255.999429	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"925735"	266.028186	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1298308"	302.004864	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1382612"	118.029924	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1396163"	136.0399	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"293660"	307.092476	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"686085"	460.135076	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1360247"	154.049876	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"138602"	154.049876	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"572695"	230.571176	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1044776"	77.528576	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"212679"	103.035676	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"652239"	154.049876	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1167083"	52.021476	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"425983"	324.119023	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"792448"	477.161623	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1689871"	171.076423	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"338147"	162.5631495	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"730570"	239.0844495	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1487671"	86.0418495	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"407455"	329.074418	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"769175"	482.117018	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1617764"	176.031818	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"326581"	165.040847	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"720095"	241.562147	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1468448"	88.519547	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1066804"	59.34879	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1264476"	186.076086	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"388518"	345.048358	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"742953"	498.090958	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1553390"	192.005758	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"304369"	173.027817	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"700070"	249.549117	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1456075"	96.506517	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"244675"	348.119026	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1219571"	195.076426	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1201266"	98.041851	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"191948"	351.05636	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"631878"	504.09896	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1136840"	198.01376	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"179038"	176.031818	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"620420"	252.553118	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1119188"	99.510518	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1408185"	66.676104	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1441394"	200.055346	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"234012"	181.06484	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1524051"	214.10739	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"423585"	184.018788	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"785357"	260.540088	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1681266"	107.497488	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"264882"	370.100968	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1235402"	217.058368	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1721008"	217.081893	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1189642"	74.003418	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1659537"	222.037288	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"166397"	383.00424	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"605958"	536.04684	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1089379"	229.96164	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"145102"	192.005758	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"590128"	268.527058	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1074640"	115.484458	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1103477"	231.976192	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1336943"	232.063807	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1013859"	236.102976	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1531984"	237.096608	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"995151"	118.555126	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1588194"	238.011228	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1414824"	268.042738	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1147460"	139.068401	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1699528"	285.069285	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1643928"	290.02468	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1581765"	305.99862	"C11343"	"Salicylhydroxamic acid"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"802410"	88.0888	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M"	0
"983476"	69.07041	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-H2O-H"	-19.01839
"71718"	57.7185906666667	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M-3H"	-3.021828
"509090"	87.081524	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M-3H"	-3.021828
"881424"	28.3556573333333	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-3H"	-3.021828
"2184"	87.081524	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M-2H"	-2.014552
"441010"	131.125924	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M-2H"	-2.014552
"817839"	43.037124	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-2H"	-2.014552
"82447"	175.170324	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M-H"	-1.007276
"520546"	263.259124	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M-H"	-1.007276
"897499"	87.081524	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-H"	-1.007276
"58580"	192.196871	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M-2H+NH4"	16.019271
"499600"	280.285671	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M-2H+NH4"	16.019271
"876305"	104.108071	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-2H+NH4"	16.019271
"40921"	197.152266	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M-2H+Na"	20.974666
"478296"	285.241066	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M-2H+Na"	20.974666
"856097"	109.063466	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-2H+Na"	20.974666
"1630738"	109.063466	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Na-2H"	20.974666
"106542"	105.069863	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M-H+Cl"	33.962126
"547566"	149.114263	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M-H+Cl"	33.962126
"940353"	61.025463	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-H+Cl"	33.962126
"281097"	211.147002	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+Cl"	34.969402
"674491"	299.235802	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+Cl"	34.969402
"1287378"	123.058202	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Cl"	34.969402
"31241"	213.126206	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M-2H+K"	36.948606
"470960"	301.215006	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M-2H+K"	36.948606
"847296"	125.037406	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-2H+K"	36.948606
"1570424"	125.037406	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+K-2H"	36.948606
"958065"	133.086994	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-H+HCOOH"	44.998194
"377021"	221.175801	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+HCOOH-H"	44.998201
"359910"	235.191451	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+Hac-H"	59.013851
"1507413"	147.102651	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Hac-H"	59.013851
"969481"	155.068951	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-H+NaCOOH"	66.980151
"121667"	123.058202	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+2Cl"	69.938804
"561230"	167.102602	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+2Cl"	69.938804
"1031121"	79.013802	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2Cl"	69.938804
"1253259"	167.007685	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Br"	78.918885
"1319683"	169.063672	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Cl+HCOOH"	80.974872
"1330652"	191.045629	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Cl+NaCOOH"	102.956829
"924992"	201.074386	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M-H+CF3COOH"	112.985586
"1298054"	237.051064	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Cl+CF3COOH"	148.962264
"1382384"	53.076124	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H-2H2O"	-35.012676
"1396274"	71.0861	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H-H2O"	-17.0027
"297050"	177.184876	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+H"	1.007276
"682915"	265.273676	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+H"	1.007276
"1361453"	89.096076	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H"	1.007276
"136528"	89.096076	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+2H"	2.014552
"574992"	133.140476	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+2H"	2.014552
"1044888"	45.051676	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2H"	2.014552
"214975"	59.7331426666667	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+3H"	3.021828
"650162"	89.096076	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+3H"	3.021828
"1169381"	30.3702093333333	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+3H"	3.021828
"428280"	194.211423	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+NH4"	18.033823
"789277"	282.300223	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+NH4"	18.033823
"1685607"	106.122623	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+NH4"	18.033823
"338257"	97.6093495	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+H+NH4"	19.041099
"730680"	141.6537495	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+H+NH4"	19.041099
"1486688"	53.5649495	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H+NH4"	19.041099
"406473"	199.166818	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+Na"	22.989218
"767461"	287.255618	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+Na"	22.989218
"1617267"	111.078018	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Na"	22.989218
"322316"	100.087047	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+H+Na"	23.996494
"716925"	144.131447	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+H+Na"	23.996494
"1464546"	56.042647	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H+Na"	23.996494
"1067279"	37.6975233333333	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2H+Na"	25.00377
"1263493"	121.122286	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+CH3OH+H"	33.033486
"384254"	215.140758	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+K"	38.963158
"744157"	303.229558	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+K"	38.963158
"1553136"	127.051958	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+K"	38.963158
"303385"	108.074017	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+H+K"	39.970434
"701273"	152.118417	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+H+K"	39.970434
"1457643"	64.029617	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H+K"	39.970434
"244785"	218.211426	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+ACN+H"	42.033826
"1220410"	130.122626	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+ACN+H"	42.033826
"1201376"	65.564951	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+ACN+2H"	43.041102
"192422"	221.14876	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+2Na-H"	44.97116
"633812"	309.23756	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+2Na-H"	44.97116
"1136950"	133.05996	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2Na-H"	44.97116
"176232"	111.078018	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+2Na"	45.978436
"613482"	155.122418	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+2Na"	45.978436
"1115890"	67.033618	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2Na"	45.978436
"1408296"	45.0248373333333	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H+2Na"	46.985712
"1439317"	135.101546	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H+HCOOH"	47.012746
"234486"	116.11104	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+3H2O+2H"	56.04448
"1523930"	149.15359	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+IsoProp+H"	61.06479
"422965"	119.064988	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+Na+K"	61.952376
"785018"	163.109388	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+Na+K"	61.952376
"1681278"	75.020588	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Na+K"	61.952376
"266084"	240.193368	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+ACN+Na"	64.015768
"1235514"	152.104568	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+ACN+Na"	64.015768
"1723305"	152.128093	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+NH4+HCOOH"	64.039293
"1189752"	52.3521513333333	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+3Na"	68.967654
"1658554"	157.083488	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Na+HCOOH"	68.994688
"164684"	253.09664	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+2K-H"	76.91904
"607162"	341.18544	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+2K-H"	76.91904
"1087302"	165.00784	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2K-H"	76.91904
"145212"	127.051958	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"2M+2K"	77.926316
"589146"	171.096358	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"3M+2K"	77.926316
"1074751"	83.007558	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2K"	77.926316
"1109054"	167.022392	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2K+H"	78.933592
"1336811"	167.110007	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+DMSO+H"	79.021207
"1015062"	171.149176	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2ACN+H"	83.060376
"1529907"	172.142808	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+IsoProp+Na+H"	84.054008
"996354"	86.078226	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+2ACN+2H"	84.067652
"1587128"	173.057428	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+K+HCOOH"	84.968628
"1414812"	203.088938	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+H+CF3COOH"	115.000138
"1147652"	106.591501	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+3ACN+2H"	125.094202
"1699638"	220.115485	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+NH4+CF3COOH"	132.026685
"1642945"	225.07088	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+Na+CF3COOH"	136.98208
"1581875"	241.04482	"C11344"	"Methyl tert-butyl ether;tert-Butyl methyl ether"	"C5H12O"	"88.0888"	"M+K+CF3COOH"	152.95602
"805679"	156.0647	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M"	0
"984680"	137.04631	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-H2O-H"	-19.01839
"72922"	103.035857333333	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M-3H"	-3.021828
"512480"	155.057424	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M-3H"	-3.021828
"883720"	51.0142906666667	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-3H"	-3.021828
"4480"	155.057424	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M-2H"	-2.014552
"441485"	233.089774	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M-2H"	-2.014552
"819287"	77.025074	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-2H"	-2.014552
"81101"	311.122124	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M-H"	-1.007276
"521025"	467.186824	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M-H"	-1.007276
"898098"	155.057424	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-H"	-1.007276
"60391"	328.148671	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M-2H+NH4"	16.019271
"500071"	484.213371	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M-2H+NH4"	16.019271
"877143"	172.083971	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-2H+NH4"	16.019271
"42125"	333.104066	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M-2H+Na"	20.974666
"476216"	489.168766	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M-2H+Na"	20.974666
"850740"	177.039366	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-2H+Na"	20.974666
"1630119"	177.039366	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Na-2H"	20.974666
"105924"	173.045763	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M-H+Cl"	33.962126
"549746"	251.078113	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M-H+Cl"	33.962126
"941559"	95.013413	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-H+Cl"	33.962126
"281694"	347.098802	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+Cl"	34.969402
"675338"	503.163502	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+Cl"	34.969402
"1288230"	191.034102	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Cl"	34.969402
"31231"	349.078006	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M-2H+K"	36.948606
"471222"	505.142706	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M-2H+K"	36.948606
"847735"	193.013306	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-2H+K"	36.948606
"1570661"	193.013306	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+K-2H"	36.948606
"958299"	201.062894	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-H+HCOOH"	44.998194
"375171"	357.127601	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+HCOOH-H"	44.998201
"358684"	371.143251	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+Hac-H"	59.013851
"1505701"	215.078551	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Hac-H"	59.013851
"969591"	223.044851	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-H+NaCOOH"	66.980151
"122143"	191.034102	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+2Cl"	69.938804
"561340"	269.066452	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+2Cl"	69.938804
"1029045"	113.001752	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2Cl"	69.938804
"1256046"	234.983585	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Br"	78.918885
"1319222"	237.039572	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Cl+HCOOH"	80.974872
"1333314"	259.021529	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Cl+NaCOOH"	102.956829
"923642"	269.050286	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M-H+CF3COOH"	112.985586
"1299257"	305.026964	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Cl+CF3COOH"	148.962264
"1382673"	121.052024	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H-2H2O"	-35.012676
"1397806"	139.062	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H-H2O"	-17.0027
"296069"	313.136676	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+H"	1.007276
"688494"	469.201376	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+H"	1.007276
"1364842"	157.071976	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H"	1.007276
"140970"	157.071976	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+2H"	2.014552
"577290"	235.104326	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+2H"	2.014552
"1050466"	79.039626	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2H"	2.014552
"219337"	105.050409333333	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+3H"	3.021828
"656834"	157.071976	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+3H"	3.021828
"1176051"	53.0288426666667	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+3H"	3.021828
"428390"	330.163223	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+NH4"	18.033823
"790477"	486.227923	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+NH4"	18.033823
"1684257"	174.098523	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+NH4"	18.033823
"336180"	165.5852495	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+H+NH4"	19.041099
"725685"	243.6175995	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+H+NH4"	19.041099
"1484610"	87.5528995	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H+NH4"	19.041099
"407548"	335.118618	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+Na"	22.989218
"767570"	491.183318	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+Na"	22.989218
"1617373"	179.053918	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Na"	22.989218
"323519"	168.062947	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+H+Na"	23.996494
"714846"	246.095297	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+H+Na"	23.996494
"1465020"	90.030597	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H+Na"	23.996494
"1067758"	60.3561566666667	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2H+Na"	25.00377
"1270531"	189.098186	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+CH3OH+H"	33.033486
"391294"	351.092558	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+K"	38.963158
"751193"	507.157258	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+K"	38.963158
"1551423"	195.027858	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+K"	38.963158
"308597"	176.049917	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+H+K"	39.970434
"703935"	254.082267	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+H+K"	39.970434
"1459213"	98.017567	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H+K"	39.970434
"248907"	354.163226	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+ACN+H"	42.033826
"1220885"	198.098526	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+ACN+H"	42.033826
"1203673"	99.552901	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+ACN+2H"	43.041102
"199822"	357.10056	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+2Na-H"	44.97116
"636109"	513.16526	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+2Na-H"	44.97116
"1141801"	201.03586	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2Na-H"	44.97116
"177435"	179.053918	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+2Na"	45.978436
"615173"	257.086268	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+2Na"	45.978436
"1116856"	101.021568	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2Na"	45.978436
"1404029"	67.6834706666667	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H+2Na"	46.985712
"1439427"	203.077446	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H+HCOOH"	47.012746
"226935"	184.08694	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+3H2O+2H"	56.04448
"1522661"	217.12949	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+IsoProp+H"	61.06479
"421256"	187.040888	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+Na+K"	61.952376
"785051"	265.073238	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+Na+K"	61.952376
"1679681"	109.008538	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Na+K"	61.952376
"262917"	376.145168	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+ACN+Na"	64.015768
"1232342"	220.080468	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+ACN+Na"	64.015768
"1722322"	220.103993	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+NH4+HCOOH"	64.039293
"1189863"	75.0107846666667	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+3Na"	68.967654
"1658300"	225.059388	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Na+HCOOH"	68.994688
"164430"	389.04844	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+2K-H"	76.91904
"603991"	545.11314	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+2K-H"	76.91904
"1089599"	232.98374	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2K-H"	76.91904
"145322"	195.027858	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"2M+2K"	77.926316
"589985"	273.060208	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"3M+2K"	77.926316
"1077413"	116.995508	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2K"	77.926316
"1109529"	234.998292	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2K+H"	78.933592
"1336800"	235.085907	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+DMSO+H"	79.021207
"1015172"	239.125076	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2ACN+H"	83.060376
"1530015"	240.118708	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+IsoProp+Na+H"	84.054008
"998651"	120.066176	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+2ACN+2H"	84.067652
"1592061"	241.033328	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+K+HCOOH"	84.968628
"1415898"	271.064838	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+H+CF3COOH"	115.000138
"1149103"	140.579451	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+3ACN+2H"	125.094202
"1699748"	288.091385	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+NH4+CF3COOH"	132.026685
"1648523"	293.04678	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+Na+CF3COOH"	136.98208
"1581985"	309.02072	"C11345"	"124-Triazole-3-alanine;Triazolealanine"	"C5H8N4O2"	"156.0647"	"M+K+CF3COOH"	152.95602
"802630"	464.2046	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M"	0
"982603"	445.18621	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H2O-H"	-19.01839
"70843"	308.462457333333	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-3H"	-3.021828
"512590"	463.197324	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-3H"	-3.021828
"884923"	153.727590666667	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-3H"	-3.021828
"4590"	463.197324	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H"	-2.014552
"440037"	695.299624	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H"	-2.014552
"817178"	231.095024	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H"	-2.014552
"80478"	927.401924	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-H"	-1.007276
"520402"	1391.606524	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-H"	-1.007276
"896745"	463.197324	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H"	-1.007276
"50406"	944.428471	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+NH4"	16.019271
"489599"	1408.633071	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+NH4"	16.019271
"874337"	480.223871	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+NH4"	16.019271
"42234"	949.383866	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+Na"	20.974666
"476326"	1413.588466	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+Na"	20.974666
"850850"	485.179266	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+Na"	20.974666
"1630229"	485.179266	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na-2H"	20.974666
"106760"	481.185663	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-H+Cl"	33.962126
"548885"	713.287963	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-H+Cl"	33.962126
"942157"	249.083363	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+Cl"	33.962126
"281682"	963.378602	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Cl"	34.969402
"674719"	1427.583202	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Cl"	34.969402
"1288095"	499.174002	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl"	34.969402
"30170"	965.357806	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M-2H+K"	36.948606
"470859"	1429.562406	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M-2H+K"	36.948606
"848086"	501.153206	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-2H+K"	36.948606
"1570648"	501.153206	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K-2H"	36.948606
"958083"	509.202794	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+HCOOH"	44.998194
"375280"	973.407401	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+HCOOH-H"	44.998201
"359522"	987.423051	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Hac-H"	59.013851
"1506173"	523.218451	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Hac-H"	59.013851
"969701"	531.184751	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+NaCOOH"	66.980151
"122982"	499.174002	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Cl"	69.938804
"561451"	731.276302	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Cl"	69.938804
"1032434"	267.071702	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Cl"	69.938804
"1255910"	543.123485	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Br"	78.918885
"1319331"	545.179472	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+HCOOH"	80.974872
"1333788"	567.161429	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+NaCOOH"	102.956829
"922658"	577.190186	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M-H+CF3COOH"	112.985586
"1297545"	613.166864	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Cl+CF3COOH"	148.962264
"1382611"	429.191924	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H-2H2O"	-35.012676
"1398119"	447.2019	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H-H2O"	-17.0027
"296179"	929.416476	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H"	1.007276
"691036"	1393.621076	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H"	1.007276
"1366834"	465.211876	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H"	1.007276
"138934"	465.211876	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2H"	2.014552
"580682"	697.314176	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2H"	2.014552
"1051671"	233.109576	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2H"	2.014552
"218476"	310.477009333333	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+3H"	3.021828
"654758"	465.211876	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+3H"	3.021828
"1175068"	155.742142666667	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3H"	3.021828
"428500"	946.443023	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+NH4"	18.033823
"789493"	1410.647623	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+NH4"	18.033823
"1683638"	482.238423	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4"	18.033823
"333010"	473.7251495	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+NH4"	19.041099
"725795"	705.8274495	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+NH4"	19.041099
"1485084"	241.6228495	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+NH4"	19.041099
"405593"	951.398418	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Na"	22.989218
"764401"	1415.603018	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Na"	22.989218
"1616510"	487.193818	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na"	22.989218
"321443"	476.202847	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+Na"	23.996494
"713863"	708.305147	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+Na"	23.996494
"1464037"	244.100547	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+Na"	23.996494
"1067132"	163.069456666667	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2H+Na"	25.00377
"1271004"	497.238086	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+CH3OH+H"	33.033486
"389943"	967.372358	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+K"	38.963158
"751666"	1431.576958	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+K"	38.963158
"1551534"	503.167758	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K"	38.963158
"309072"	484.189817	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+H+K"	39.970434
"705864"	716.292117	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+H+K"	39.970434
"1459321"	252.087517	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+K"	39.970434
"247559"	970.443026	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+ACN+H"	42.033826
"1219901"	506.238426	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+H"	42.033826
"1202690"	253.622851	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+2H"	43.041102
"197745"	973.38036	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Na-H"	44.97116
"637312"	1437.58496	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Na-H"	44.97116
"1140818"	509.17576	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Na-H"	44.97116
"179003"	487.193818	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2Na"	45.978436
"615647"	719.296118	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2Na"	45.978436
"1117208"	255.091518	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2Na"	45.978436
"1402315"	170.396770666667	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+2Na"	46.985712
"1433700"	511.217346	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+HCOOH"	47.012746
"223765"	492.22684	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+3H2O+2H"	56.04448
"1523135"	525.26939	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+IsoProp+H"	61.06479
"422095"	495.180788	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+Na+K"	61.952376
"784554"	727.283088	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+Na+K"	61.952376
"1679792"	263.078488	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+K"	61.952376
"261932"	992.424968	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+ACN+Na"	64.015768
"1234275"	528.220368	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+ACN+Na"	64.015768
"1723162"	528.243893	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4+HCOOH"	64.039293
"1187789"	177.724084666667	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3Na"	68.967654
"1657682"	533.199288	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+HCOOH"	68.994688
"166000"	1005.32824	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2K-H"	76.91904
"606654"	1469.53284	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2K-H"	76.91904
"1087522"	541.12364	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K-H"	76.91904
"150901"	503.167758	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"2M+2K"	77.926316
"591555"	735.270058	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"3M+2K"	77.926316
"1074971"	271.065458	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K"	77.926316
"1110003"	543.138192	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2K+H"	78.933592
"1338003"	543.225807	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+DMSO+H"	79.021207
"1015283"	547.264976	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2ACN+H"	83.060376
"1526845"	548.258608	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+IsoProp+Na+H"	84.054008
"1000949"	274.136126	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+2ACN+2H"	84.067652
"1592173"	549.173228	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K+HCOOH"	84.968628
"1417831"	579.204738	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+H+CF3COOH"	115.000138
"1149213"	294.649401	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+3ACN+2H"	125.094202
"1700953"	596.231285	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+NH4+CF3COOH"	132.026685
"1648633"	601.18668	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+Na+CF3COOH"	136.98208
"1582095"	617.16062	"C11346"	"16alpha17beta-Estriol 17-(beta-D-glucuronide)"	"C24H32O9"	"464.2046"	"M+K+CF3COOH"	152.95602
"802619"	321.0995	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M"	0
"979431"	302.08111	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-H2O-H"	-19.01839
"64392"	213.059057333333	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M-3H"	-3.021828
"506137"	320.092224	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M-3H"	-3.021828
"883939"	106.025890666667	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-3H"	-3.021828
"4700"	320.092224	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M-2H"	-2.014552
"440201"	480.641974	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M-2H"	-2.014552
"818047"	159.542474	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-2H"	-2.014552
"80951"	641.191724	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M-H"	-1.007276
"521606"	962.291224	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M-H"	-1.007276
"897222"	320.092224	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-H"	-1.007276
"50880"	658.218271	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M-2H+NH4"	16.019271
"491168"	979.317771	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M-2H+NH4"	16.019271
"872261"	337.118771	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-2H+NH4"	16.019271
"39064"	663.173666	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M-2H+Na"	20.974666
"476436"	984.273166	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M-2H+Na"	20.974666
"853142"	342.074166	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-2H+Na"	20.974666
"1619397"	342.074166	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Na-2H"	20.974666
"107963"	338.080563	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M-H+Cl"	33.962126
"549927"	498.630313	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M-H+Cl"	33.962126
"937764"	177.530813	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-H+Cl"	33.962126
"281546"	677.168402	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+Cl"	34.969402
"674818"	998.267902	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+Cl"	34.969402
"1288197"	356.068902	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Cl"	34.969402
"30387"	679.147606	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M-2H+K"	36.948606
"470797"	1000.247106	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M-2H+K"	36.948606
"848154"	358.048106	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-2H+K"	36.948606
"1569654"	358.048106	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+K-2H"	36.948606
"953527"	366.097694	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-H+HCOOH"	44.998194
"369554"	687.197201	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+HCOOH-H"	44.998201
"356715"	701.212851	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+Hac-H"	59.013851
"1505187"	380.113351	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Hac-H"	59.013851
"968717"	388.079651	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-H+NaCOOH"	66.980151
"120903"	356.068902	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+2Cl"	69.938804
"562289"	516.618652	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+2Cl"	69.938804
"1032544"	195.519152	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2Cl"	69.938804
"1247757"	400.018385	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Br"	78.918885
"1311297"	402.074372	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Cl+HCOOH"	80.974872
"1327698"	424.056329	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Cl+NaCOOH"	102.956829
"915478"	434.085086	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M-H+CF3COOH"	112.985586
"1293277"	470.061764	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Cl+CF3COOH"	148.962264
"1382590"	286.086824	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H-2H2O"	-35.012676
"1398062"	304.0968	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H-H2O"	-17.0027
"288635"	643.206276	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+H"	1.007276
"679962"	964.305776	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+H"	1.007276
"1363966"	322.106776	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H"	1.007276
"136856"	322.106776	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+2H"	2.014552
"576422"	482.656526	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+2H"	2.014552
"1051416"	161.557026	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2H"	2.014552
"216400"	215.073609333333	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+3H"	3.021828
"649399"	322.106776	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+3H"	3.021828
"1169711"	108.040442666667	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+3H"	3.021828
"426786"	660.232823	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+NH4"	18.033823
"787779"	981.332323	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+NH4"	18.033823
"1681363"	339.133323	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+NH4"	18.033823
"330188"	330.6200495	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+H+NH4"	19.041099
"723100"	491.1697995	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+H+NH4"	19.041099
"1477198"	170.0702995	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H+NH4"	19.041099
"396586"	665.188218	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+Na"	22.989218
"755758"	986.287718	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+Na"	22.989218
"1612608"	344.088718	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Na"	22.989218
"322646"	333.097747	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+H+Na"	23.996494
"712150"	493.647497	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+H+Na"	23.996494
"1465966"	172.547997	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H+Na"	23.996494
"1066878"	115.367756666667	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2H+Na"	25.00377
"1269284"	354.132986	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+CH3OH+H"	33.033486
"387857"	681.162158	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+K"	38.963158
"749945"	1002.261658	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+K"	38.963158
"1555369"	360.062658	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+K"	38.963158
"312828"	341.084717	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+H+K"	39.970434
"703786"	501.634467	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+H+K"	39.970434
"1455419"	180.534967	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H+K"	39.970434
"242928"	684.232826	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+ACN+H"	42.033826
"1220010"	363.133326	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+ACN+H"	42.033826
"1202798"	182.070301	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+ACN+2H"	43.041102
"194575"	687.17016	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+2Na-H"	44.97116
"634866"	1008.26966	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+2Na-H"	44.97116
"1135090"	366.07066	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2Na-H"	44.97116
"185311"	344.088718	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+2Na"	45.978436
"621225"	504.638468	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+2Na"	45.978436
"1116709"	183.538968	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2Na"	45.978436
"1404249"	122.695070666667	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H+2Na"	46.985712
"1433081"	368.112246	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H+HCOOH"	47.012746
"224239"	349.12174	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+3H2O+2H"	56.04448
"1511206"	382.16429	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+IsoProp+H"	61.06479
"415998"	352.075688	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+Na+K"	61.952376
"782829"	512.625438	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+Na+K"	61.952376
"1679891"	191.525938	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Na+K"	61.952376
"265692"	706.214768	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+ACN+Na"	64.015768
"1233658"	385.115268	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+ACN+Na"	64.015768
"1722911"	385.138793	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+NH4+HCOOH"	64.039293
"1189357"	130.022384666667	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+3Na"	68.967654
"1658884"	390.094188	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Na+HCOOH"	68.994688
"168663"	719.11804	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+2K-H"	76.91904
"607491"	1040.21754	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+2K-H"	76.91904
"1096015"	398.01854	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2K-H"	76.91904
"153565"	360.062658	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"2M+2K"	77.926316
"593124"	520.612408	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"3M+2K"	77.926316
"1079820"	199.512908	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2K"	77.926316
"1107196"	400.033092	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2K+H"	78.933592
"1341392"	400.120707	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+DMSO+H"	79.021207
"1016122"	404.159876	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2ACN+H"	83.060376
"1526955"	405.153508	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+IsoProp+Na+H"	84.054008
"999966"	202.583576	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+2ACN+2H"	84.067652
"1593376"	406.068128	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+K+HCOOH"	84.968628
"1418305"	436.099638	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+H+CF3COOH"	115.000138
"1154791"	223.096851	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+3ACN+2H"	125.094202
"1704344"	453.126185	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+NH4+CF3COOH"	132.026685
"1648743"	458.08158	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+Na+CF3COOH"	136.98208
"1582205"	474.05552	"C11347"	"S-Methyl GSH;S-Methylglutathione"	"C11H19N3O6S"	"321.0995"	"M+K+CF3COOH"	152.95602
"803822"	122.0732	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M"	0
"979541"	103.05481	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"72157"	80.3748573333333	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"507343"	121.065924	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"882956"	39.6837906666667	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"4810"	121.065924	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"442182"	182.102524	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"818033"	60.029324	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"80335"	243.139124	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"520988"	365.212324	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"896726"	121.065924	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"50626"	260.165671	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"491278"	382.238871	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"867987"	138.092471	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"32735"	265.121066	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"473266"	387.194266	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"851065"	143.047866	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1618549"	143.047866	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"107709"	139.054263	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"549631"	200.090863	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"941399"	78.017663	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"277524"	279.115802	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"673954"	401.189002	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1288293"	157.042602	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"30983"	281.095006	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"470618"	403.168206	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"847936"	159.021806	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1569034"	159.021806	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"953637"	167.071394	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"372943"	289.144601	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"355732"	303.160251	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1506026"	181.087051	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"967734"	189.053351	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"118827"	157.042602	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"561306"	218.079202	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1032290"	96.006002	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1247867"	200.992085	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1312500"	203.048072	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1324163"	225.030029	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"919963"	235.058786	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1291201"	271.035464	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1377024"	87.060524	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1393426"	105.0705	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"290931"	245.153676	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"681165"	367.226876	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1364076"	123.080476	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"136966"	123.080476	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"576526"	184.117076	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1050676"	62.043876	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"218336"	82.3894093333333	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"648052"	123.080476	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1170915"	41.6983426666667	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"427625"	262.180223	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"785778"	384.253423	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1681378"	140.107023	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"330054"	131.5937495	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"723541"	192.6303495	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1478013"	70.5571495	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"395968"	267.135618	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"755868"	389.208818	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1612718"	145.062418	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"322756"	134.071447	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"710800"	195.108047	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1465712"	73.034847	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1066619"	49.0256566666667	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1270486"	155.106686	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"389060"	283.109558	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"750055"	405.182758	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1555562"	161.036358	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"313790"	142.058417	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"706088"	203.095017	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1460717"	81.021817	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"245225"	286.180226	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1220121"	164.107026	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1205097"	82.557151	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"199061"	289.11756	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"634976"	411.19076	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1135930"	167.04436	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"185421"	145.062418	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"617324"	206.099018	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1116698"	84.025818	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1403265"	56.3529706666667	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1432463"	169.085946	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"223984"	150.09544	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1511317"	183.13799	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"419388"	153.049388	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"783667"	214.085988	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1680610"	92.012788	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"266164"	308.162168	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1236321"	186.088968	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1725573"	186.112493	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1190927"	63.6802846666667	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1663008"	191.067888	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"168044"	321.06544	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"607237"	443.13864	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1094303"	198.99224	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"152577"	161.036358	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"594691"	222.072958	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1078471"	99.999758	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1102931"	201.006792	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1338223"	201.094407	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1011128"	205.133576	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1528158"	206.127208	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"997888"	103.070426	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1600048"	207.041828	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1424612"	237.073338	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1155996"	123.583701	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1706641"	254.099885	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1647394"	259.05528	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1582315"	275.02922	"C11348"	"(S)-1-Phenylethanol;(S)-1-Phenethyl alcohol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"809401"	206.1671	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M"	0
"979653"	187.14871	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-H2O-H"	-19.01839
"73364"	136.437457333333	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M-3H"	-3.021828
"511831"	205.159824	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M-3H"	-3.021828
"888538"	67.7150906666667	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-3H"	-3.021828
"6015"	205.159824	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H"	-2.014552
"442294"	308.243374	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H"	-2.014552
"820092"	102.076274	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H"	-2.014552
"83363"	411.326924	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M-H"	-1.007276
"521833"	617.494024	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M-H"	-1.007276
"905113"	205.159824	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-H"	-1.007276
"52925"	428.353471	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H+NH4"	16.019271
"490299"	634.520571	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H+NH4"	16.019271
"870293"	222.186371	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H+NH4"	16.019271
"39285"	433.308866	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H+Na"	20.974666
"473378"	639.475966	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H+Na"	20.974666
"853368"	227.141766	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H+Na"	20.974666
"1633727"	227.141766	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na-2H"	20.974666
"107703"	223.148163	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M-H+Cl"	33.962126
"547384"	326.231713	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M-H+Cl"	33.962126
"939077"	120.064613	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+Cl"	33.962126
"279820"	447.303602	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Cl"	34.969402
"675284"	653.470702	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+Cl"	34.969402
"1287080"	241.136502	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl"	34.969402
"30120"	449.282806	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M-2H+K"	36.948606
"470288"	655.449906	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M-2H+K"	36.948606
"845658"	243.115706	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-2H+K"	36.948606
"1566958"	243.115706	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+K-2H"	36.948606
"952654"	251.165294	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+HCOOH"	44.998194
"371962"	457.332401	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+HCOOH-H"	44.998201
"358404"	471.348051	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Hac-H"	59.013851
"1507237"	265.180951	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Hac-H"	59.013851
"972590"	273.147251	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+NaCOOH"	66.980151
"124048"	241.136502	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2Cl"	69.938804
"563975"	344.220052	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2Cl"	69.938804
"1028400"	138.052952	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2Cl"	69.938804
"1245790"	285.085985	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Br"	78.918885
"1308238"	287.141972	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl+HCOOH"	80.974872
"1325736"	309.123929	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl+NaCOOH"	102.956829
"917886"	319.152686	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M-H+CF3COOH"	112.985586
"1304042"	355.129364	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Cl+CF3COOH"	148.962264
"1382120"	171.154424	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H-2H2O"	-35.012676
"1390263"	189.1644	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H-H2O"	-17.0027
"294324"	413.341476	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H"	1.007276
"687838"	619.508576	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H"	1.007276
"1357628"	207.174376	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H"	1.007276
"137076"	207.174376	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2H"	2.014552
"575546"	310.257926	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2H"	2.014552
"1052002"	104.090826	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2H"	2.014552
"213339"	138.452009333333	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+3H"	3.021828
"652898"	207.174376	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+3H"	3.021828
"1165921"	69.7296426666667	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+3H"	3.021828
"428829"	430.368023	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+NH4"	18.033823
"788365"	636.535123	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+NH4"	18.033823
"1682144"	224.200923	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+NH4"	18.033823
"330785"	215.6876495	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H+NH4"	19.041099
"723078"	318.7711995	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H+NH4"	19.041099
"1487244"	112.6040995	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+NH4"	19.041099
"401549"	435.323418	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Na"	22.989218
"758531"	641.490518	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+Na"	22.989218
"1616841"	229.156318	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na"	22.989218
"320679"	218.165347	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H+Na"	23.996494
"713101"	321.248897	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H+Na"	23.996494
"1472032"	115.081797	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+Na"	23.996494
"1064552"	77.0569566666667	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2H+Na"	25.00377
"1270724"	239.200586	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+CH3OH+H"	33.033486
"390997"	451.297358	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+K"	38.963158
"750901"	657.464458	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+K"	38.963158
"1554779"	245.130258	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+K"	38.963158
"311585"	226.152317	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+H+K"	39.970434
"701819"	329.235867	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+H+K"	39.970434
"1452354"	123.068767	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+K"	39.970434
"239864"	454.368026	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+ACN+H"	42.033826
"1212572"	248.200926	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+ACN+H"	42.033826
"1204115"	124.604101	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+ACN+2H"	43.041102
"199172"	457.30536	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2Na-H"	44.97116
"631806"	663.47246	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2Na-H"	44.97116
"1141145"	251.13826	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2Na-H"	44.97116
"179335"	229.156318	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2Na"	45.978436
"614884"	332.239868	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2Na"	45.978436
"1124227"	126.072768	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2Na"	45.978436
"1409938"	84.3842706666667	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+2Na"	46.985712
"1442055"	253.179846	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+HCOOH"	47.012746
"229564"	234.18934	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+3H2O+2H"	56.04448
"1513251"	267.23189	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+IsoProp+H"	61.06479
"416218"	237.143288	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+Na+K"	61.952376
"785123"	340.226838	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+Na+K"	61.952376
"1679755"	134.059738	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na+K"	61.952376
"262262"	476.349968	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+ACN+Na"	64.015768
"1232055"	270.182868	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+ACN+Na"	64.015768
"1720577"	270.206393	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+NH4+HCOOH"	64.039293
"1189578"	91.7115846666667	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+3Na"	68.967654
"1660565"	275.161788	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na+HCOOH"	68.994688
"166332"	489.25324	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2K-H"	76.91904
"605528"	695.42034	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2K-H"	76.91904
"1095144"	283.08614	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2K-H"	76.91904
"152325"	245.130258	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"2M+2K"	77.926316
"589695"	348.213808	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"3M+2K"	77.926316
"1075301"	142.046708	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2K"	77.926316
"1109240"	285.100692	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2K+H"	78.933592
"1346720"	285.188307	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+DMSO+H"	79.021207
"1017072"	289.227476	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2ACN+H"	83.060376
"1533740"	290.221108	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+IsoProp+Na+H"	84.054008
"1002376"	145.117376	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+2ACN+2H"	84.067652
"1600888"	291.135728	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+K+HCOOH"	84.968628
"1425818"	321.167238	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+H+CF3COOH"	115.000138
"1156107"	165.630651	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+3ACN+2H"	125.094202
"1706752"	338.193785	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+NH4+CF3COOH"	132.026685
"1646776"	343.14918	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+Na+CF3COOH"	136.98208
"1582426"	359.12312	"C11350"	"()-trans-alpha-Irone"	"C14H22O"	"206.1671"	"M+K+CF3COOH"	152.95602
"809511"	300.0835	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M"	0
"979763"	281.06511	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H2O-H"	-19.01839
"74567"	199.048390666667	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-3H"	-3.021828
"515220"	299.076224	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-3H"	-3.021828
"893020"	99.0205573333333	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-3H"	-3.021828
"7218"	299.076224	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H"	-2.014552
"442768"	449.117974	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H"	-2.014552
"820566"	149.034474	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H"	-2.014552
"82378"	599.159724	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-H"	-1.007276
"520484"	899.243224	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-H"	-1.007276
"906316"	299.076224	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H"	-1.007276
"53035"	616.186271	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H+NH4"	16.019271
"490409"	916.269771	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H+NH4"	16.019271
"866393"	316.102771	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H+NH4"	16.019271
"38302"	621.141666	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H+Na"	20.974666
"472269"	921.225166	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H+Na"	20.974666
"848853"	321.058166	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H+Na"	20.974666
"1631767"	321.058166	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na-2H"	20.974666
"108543"	317.064563	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-H+Cl"	33.962126
"548592"	467.106313	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-H+Cl"	33.962126
"941007"	167.022813	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+Cl"	33.962126
"276650"	635.136402	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Cl"	34.969402
"671258"	935.219902	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+Cl"	34.969402
"1287922"	335.052902	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl"	34.969402
"31082"	637.115606	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M-2H+K"	36.948606
"471009"	937.199106	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M-2H+K"	36.948606
"845768"	337.032106	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-2H+K"	36.948606
"1565974"	337.032106	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K-2H"	36.948606
"955316"	345.081694	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+HCOOH"	44.998194
"373166"	645.165201	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+HCOOH-H"	44.998201
"358145"	659.180851	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Hac-H"	59.013851
"1505887"	359.097351	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Hac-H"	59.013851
"972333"	367.063651	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+NaCOOH"	66.980151
"125012"	335.052902	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2Cl"	69.938804
"564816"	485.094652	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2Cl"	69.938804
"1028510"	185.011152	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2Cl"	69.938804
"1248088"	379.002385	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Br"	78.918885
"1308713"	381.058372	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl+HCOOH"	80.974872
"1325846"	403.040329	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl+NaCOOH"	102.956829
"920184"	413.069086	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M-H+CF3COOH"	112.985586
"1303462"	449.045764	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Cl+CF3COOH"	148.962264
"1380527"	265.070824	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H-2H2O"	-35.012676
"1391463"	283.0808	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H-H2O"	-17.0027
"287869"	601.174276	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H"	1.007276
"687948"	901.257776	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H"	1.007276
"1356645"	301.090776	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H"	1.007276
"137186"	301.090776	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2H"	2.014552
"575656"	451.132526	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2H"	2.014552
"1048831"	151.049026	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2H"	2.014552
"214542"	201.062942666667	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+3H"	3.021828
"654102"	301.090776	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+3H"	3.021828
"1167125"	101.035109333333	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+3H"	3.021828
"427846"	618.200823	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+NH4"	18.033823
"789206"	918.284323	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+NH4"	18.033823
"1681890"	318.117323	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+NH4"	18.033823
"330205"	309.6040495	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H+NH4"	19.041099
"722893"	459.6457995	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H+NH4"	19.041099
"1487354"	159.5622995	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+NH4"	19.041099
"402752"	623.156218	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Na"	22.989218
"767026"	923.239718	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+Na"	22.989218
"1616222"	323.072718	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na"	22.989218
"325164"	312.081747	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H+Na"	23.996494
"717586"	462.123497	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H+Na"	23.996494
"1473600"	162.039997	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+Na"	23.996494
"1066844"	108.362423333333	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2H+Na"	25.00377
"1269621"	333.116986	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+CH3OH+H"	33.033486
"391107"	639.130158	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+K"	38.963158
"753081"	939.213658	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+K"	38.963158
"1554164"	339.046658	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K"	38.963158
"313764"	320.068717	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+H+K"	39.970434
"700835"	470.110467	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+H+K"	39.970434
"1453557"	170.026967	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+K"	39.970434
"241067"	642.200826	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+ACN+H"	42.033826
"1211587"	342.117326	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+ACN+H"	42.033826
"1205683"	171.562301	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+ACN+2H"	43.041102
"199650"	645.13816	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2Na-H"	44.97116
"640667"	945.22166	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2Na-H"	44.97116
"1137975"	345.05466	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2Na-H"	44.97116
"178350"	323.072718	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2Na"	45.978436
"617911"	473.114468	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2Na"	45.978436
"1118865"	173.030968	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2Na"	45.978436
"1410048"	115.689737333333	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+2Na"	46.985712
"1435601"	347.096246	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+HCOOH"	47.012746
"229674"	328.10574	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+3H2O+2H"	56.04448
"1513361"	361.14829	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+IsoProp+H"	61.06479
"419611"	331.059688	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+Na+K"	61.952376
"784868"	481.101438	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+Na+K"	61.952376
"1677313"	181.017938	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na+K"	61.952376
"260185"	664.182768	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+ACN+Na"	64.015768
"1233989"	364.099268	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+ACN+Na"	64.015768
"1722874"	364.122793	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+NH4+HCOOH"	64.039293
"1187863"	123.017051333333	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+3Na"	68.967654
"1661400"	369.078188	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na+HCOOH"	68.994688
"167170"	677.08604	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2K-H"	76.91904
"606731"	977.16954	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2K-H"	76.91904
"1094526"	377.00254	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2K-H"	76.91904
"153892"	339.046658	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"2M+2K"	77.926316
"590898"	489.088408	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"3M+2K"	77.926316
"1075411"	189.004908	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2K"	77.926316
"1109350"	379.017092	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2K+H"	78.933592
"1347194"	379.104707	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+DMSO+H"	79.021207
"1014629"	383.143876	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2ACN+H"	83.060376
"1533850"	384.137508	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+IsoProp+Na+H"	84.054008
"1000298"	192.075576	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+2ACN+2H"	84.067652
"1600998"	385.052128	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K+HCOOH"	84.968628
"1425928"	415.083638	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+H+CF3COOH"	115.000138
"1156217"	212.588851	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+3ACN+2H"	125.094202
"1703581"	432.110185	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+NH4+CF3COOH"	132.026685
"1641418"	437.06558	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+Na+CF3COOH"	136.98208
"1582536"	453.03952	"C11351"	"N1-Amidinostreptamine 6-phosphate;1D-1-Guanidino-3-amino-13-dideoxy-scyllo-inositol 6-phosphate"	"C7H17N4O7P"	"300.0835"	"M+K+CF3COOH"	152.95602
"809621"	147.9847	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M"	0
"986434"	128.96631	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-H2O-H"	-19.01839
"75771"	97.6491906666667	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M-3H"	-3.021828
"517519"	146.977424	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M-3H"	-3.021828
"893130"	48.3209573333333	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-3H"	-3.021828
"8424"	146.977424	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M-2H"	-2.014552
"449078"	220.969774	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M-2H"	-2.014552
"820317"	72.985074	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-2H"	-2.014552
"82854"	294.962124	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M-H"	-1.007276
"521327"	442.946824	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M-H"	-1.007276
"905333"	146.977424	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-H"	-1.007276
"53145"	311.988671	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M-2H+NH4"	16.019271
"490519"	459.973371	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M-2H+NH4"	16.019271
"868319"	164.003971	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-2H+NH4"	16.019271
"36226"	316.944066	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M-2H+Na"	20.974666
"476879"	464.928766	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M-2H+Na"	20.974666
"855776"	168.959366	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-2H+Na"	20.974666
"1632487"	168.959366	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Na-2H"	20.974666
"109384"	164.965763	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M-H+Cl"	33.962126
"549307"	238.958113	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M-H+Cl"	33.962126
"941117"	90.973413	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-H+Cl"	33.962126
"281743"	330.938802	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+Cl"	34.969402
"675105"	478.923502	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+Cl"	34.969402
"1288237"	182.954102	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Cl"	34.969402
"31225"	332.918006	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M-2H+K"	36.948606
"469894"	480.902706	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M-2H+K"	36.948606
"841506"	184.933306	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-2H+K"	36.948606
"1566084"	184.933306	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+K-2H"	36.948606
"953968"	192.982894	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-H+HCOOH"	44.998194
"372547"	340.967601	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+HCOOH-H"	44.998201
"356796"	354.983251	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+Hac-H"	59.013851
"1506361"	206.998551	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Hac-H"	59.013851
"970982"	214.964851	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-H+NaCOOH"	66.980151
"123905"	182.954102	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+2Cl"	69.938804
"563463"	256.946452	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+2Cl"	69.938804
"1027528"	108.961752	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2Cl"	69.938804
"1247105"	226.903585	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Br"	78.918885
"1311739"	228.959572	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Cl+HCOOH"	80.974872
"1329236"	250.941529	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Cl+NaCOOH"	102.956829
"923574"	260.970286	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M-H+CF3COOH"	112.985586
"1299195"	296.946964	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Cl+CF3COOH"	148.962264
"1380273"	112.972024	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H-2H2O"	-35.012676
"1389387"	130.982	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H-H2O"	-17.0027
"287979"	296.976676	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+H"	1.007276
"688058"	444.961376	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+H"	1.007276
"1356755"	148.991976	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H"	1.007276
"137296"	148.991976	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+2H"	2.014552
"577952"	222.984326	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+2H"	2.014552
"1047847"	74.999626	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2H"	2.014552
"211372"	99.6637426666667	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+3H"	3.021828
"652026"	148.991976	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+3H"	3.021828
"1169060"	50.3355093333333	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+3H"	3.021828
"429050"	314.003223	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+NH4"	18.033823
"788953"	461.987923	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+NH4"	18.033823
"1683460"	166.018523	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+NH4"	18.033823
"330032"	157.5052495	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+H+NH4"	19.041099
"722941"	231.4975995	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+H+NH4"	19.041099
"1486371"	83.5128995	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H+NH4"	19.041099
"403955"	318.958618	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+Na"	22.989218
"766043"	466.943318	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+Na"	22.989218
"1616332"	170.973918	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Na"	22.989218
"325274"	159.982947	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+H+Na"	23.996494
"717696"	233.975297	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+H+Na"	23.996494
"1474440"	85.990597	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H+Na"	23.996494
"1067561"	57.6628233333333	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2H+Na"	25.00377
"1270817"	181.018186	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+CH3OH+H"	33.033486
"391945"	334.932558	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+K"	38.963158
"753520"	482.917258	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+K"	38.963158
"1555002"	186.947858	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+K"	38.963158
"313719"	167.969917	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+H+K"	39.970434
"699852"	241.962267	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+H+K"	39.970434
"1452577"	93.977567	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H+K"	39.970434
"243364"	338.003226	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+ACN+H"	42.033826
"1214979"	190.018526	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+ACN+H"	42.033826
"1206157"	95.512901	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+ACN+2H"	43.041102
"199396"	340.94056	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+2Na-H"	44.97116
"641874"	488.92526	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+2Na-H"	44.97116
"1138089"	192.95586	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2Na-H"	44.97116
"178096"	170.973918	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+2Na"	45.978436
"618022"	244.966268	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+2Na"	45.978436
"1118611"	96.981568	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2Na"	45.978436
"1410158"	64.9901373333333	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H+2Na"	46.985712
"1435711"	194.997446	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H+HCOOH"	47.012746
"230878"	176.00694	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+3H2O+2H"	56.04448
"1513471"	209.04949	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+IsoProp+H"	61.06479
"421908"	178.960888	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+Na+K"	61.952376
"782915"	252.953238	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+Na+K"	61.952376
"1678882"	104.968538	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Na+K"	61.952376
"257016"	359.985168	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+ACN+Na"	64.015768
"1234099"	212.000468	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+ACN+Na"	64.015768
"1721891"	212.023993	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+NH4+HCOOH"	64.039293
"1188703"	72.3174513333333	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+3Na"	68.967654
"1656043"	216.979388	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Na+HCOOH"	68.994688
"167646"	372.88844	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+2K-H"	76.91904
"605748"	520.87314	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+2K-H"	76.91904
"1093542"	224.90374	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2K-H"	76.91904
"153274"	186.947858	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"2M+2K"	77.926316
"584448"	260.940208	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"3M+2K"	77.926316
"1070417"	112.955508	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2K"	77.926316
"1104356"	226.918292	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2K+H"	78.933592
"1340742"	227.005907	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+DMSO+H"	79.021207
"1014739"	231.045076	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2ACN+H"	83.060376
"1533958"	232.038708	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+IsoProp+Na+H"	84.054008
"1000409"	116.026176	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+2ACN+2H"	84.067652
"1597098"	232.953328	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+K+HCOOH"	84.968628
"1428227"	262.984838	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+H+CF3COOH"	115.000138
"1154140"	136.539451	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+3ACN+2H"	125.094202
"1703691"	280.011385	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+NH4+CF3COOH"	132.026685
"1641528"	284.96678	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+Na+CF3COOH"	136.98208
"1582646"	300.94072	"C11352"	"56-Dichloro-13-cyclohexadiene"	"C6H6Cl2"	"147.9847"	"M+K+CF3COOH"	152.95602
"809731"	147.9927	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M"	0
"988730"	128.97431	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-H2O-H"	-19.01839
"74788"	97.654524	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M-3H"	-3.021828
"517265"	146.985424	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M-3H"	-3.021828
"895268"	48.323624	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-3H"	-3.021828
"9627"	146.985424	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M-2H"	-2.014552
"449188"	220.981774	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M-2H"	-2.014552
"819698"	72.989074	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-2H"	-2.014552
"78837"	294.978124	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M-H"	-1.007276
"518533"	442.970824	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M-H"	-1.007276
"901069"	146.985424	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-H"	-1.007276
"49975"	312.004671	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M-2H+NH4"	16.019271
"492814"	459.997371	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M-2H+NH4"	16.019271
"869523"	164.011971	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-2H+NH4"	16.019271
"33298"	316.960066	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M-2H+Na"	20.974666
"479177"	464.952766	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M-2H+Na"	20.974666
"855887"	168.967366	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-2H+Na"	20.974666
"1633082"	168.967366	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Na-2H"	20.974666
"108519"	164.973763	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M-H+Cl"	33.962126
"548443"	238.970113	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M-H+Cl"	33.962126
"942745"	90.977413	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-H+Cl"	33.962126
"280148"	330.954802	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+Cl"	34.969402
"675589"	478.947502	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+Cl"	34.969402
"1288434"	182.962102	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Cl"	34.969402
"31319"	332.934006	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M-2H+K"	36.948606
"469273"	480.926706	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M-2H+K"	36.948606
"843802"	184.941306	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-2H+K"	36.948606
"1568381"	184.941306	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+K-2H"	36.948606
"955535"	192.990894	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-H+HCOOH"	44.998194
"373750"	340.983601	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+HCOOH-H"	44.998201
"357270"	354.999251	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+Hac-H"	59.013851
"1506472"	207.006551	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Hac-H"	59.013851
"971457"	214.972851	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-H+NaCOOH"	66.980151
"123650"	182.962102	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+2Cl"	69.938804
"563575"	256.958452	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+2Cl"	69.938804
"1028731"	108.965752	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2Cl"	69.938804
"1248308"	226.911585	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Br"	78.918885
"1311849"	228.967572	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Cl+HCOOH"	80.974872
"1329346"	250.949529	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Cl+NaCOOH"	102.956829
"923320"	260.978286	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M-H+CF3COOH"	112.985586
"1300398"	296.954964	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Cl+CF3COOH"	148.962264
"1380383"	112.980024	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H-2H2O"	-35.012676
"1387310"	130.99	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H-H2O"	-17.0027
"288089"	296.992676	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+H"	1.007276
"684888"	444.985376	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+H"	1.007276
"1359050"	148.999976	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H"	1.007276
"134126"	148.999976	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+2H"	2.014552
"569678"	222.996326	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+2H"	2.014552
"1044676"	75.003626	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2H"	2.014552
"210389"	99.669076	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+3H"	3.021828
"649948"	148.999976	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+3H"	3.021828
"1166254"	50.338176	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+3H"	3.021828
"428431"	314.019223	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+NH4"	18.033823
"789791"	462.011923	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+NH4"	18.033823
"1685393"	166.026523	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+NH4"	18.033823
"329996"	157.5132495	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+H+NH4"	19.041099
"723131"	231.5095995	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+H+NH4"	19.041099
"1488668"	83.5168995	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H+NH4"	19.041099
"402972"	318.974618	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+Na"	22.989218
"763966"	466.967318	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+Na"	22.989218
"1614256"	170.981918	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Na"	22.989218
"326480"	159.990947	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+H+Na"	23.996494
"717806"	233.987297	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+H+Na"	23.996494
"1474549"	85.994597	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H+Na"	23.996494
"1065970"	57.66549	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2H+Na"	25.00377
"1269834"	181.026186	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+CH3OH+H"	33.033486
"390962"	334.948558	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+K"	38.963158
"754071"	482.941258	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+K"	38.963158
"1555560"	186.955858	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+K"	38.963158
"314205"	167.977917	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+H+K"	39.970434
"698868"	241.974267	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+H+K"	39.970434
"1454871"	93.981567	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H+K"	39.970434
"242380"	338.019226	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+ACN+H"	42.033826
"1215089"	190.026526	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+ACN+H"	42.033826
"1205538"	95.516901	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+ACN+2H"	43.041102
"199142"	340.95656	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+2Na-H"	44.97116
"640525"	488.94926	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+2Na-H"	44.97116
"1138198"	192.96386	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2Na-H"	44.97116
"183674"	170.981918	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+2Na"	45.978436
"615699"	244.978268	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+2Na"	45.978436
"1120180"	96.985568	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2Na"	45.978436
"1400421"	64.992804	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H+2Na"	46.985712
"1434726"	195.005446	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H+HCOOH"	47.012746
"231717"	176.01494	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+3H2O+2H"	56.04448
"1513581"	209.05749	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+IsoProp+H"	61.06479
"422018"	178.968888	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+Na+K"	61.952376
"785325"	252.965238	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+Na+K"	61.952376
"1677167"	104.972538	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Na+K"	61.952376
"263686"	360.001168	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+ACN+Na"	64.015768
"1237487"	212.008468	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+ACN+Na"	64.015768
"1722003"	212.031993	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+NH4+HCOOH"	64.039293
"1188448"	72.320118	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+3Na"	68.967654
"1656153"	216.987388	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Na+HCOOH"	68.994688
"168850"	372.90444	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+2K-H"	76.91904
"609139"	520.89714	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+2K-H"	76.91904
"1094746"	224.91174	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2K-H"	76.91904
"152652"	186.955858	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"2M+2K"	77.926316
"585650"	260.952208	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"3M+2K"	77.926316
"1070163"	112.959508	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2K"	77.926316
"1104466"	226.926292	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2K+H"	78.933592
"1340852"	227.013907	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+DMSO+H"	79.021207
"1014849"	231.053076	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2ACN+H"	83.060376
"1530789"	232.046708	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+IsoProp+Na+H"	84.054008
"1001612"	116.030176	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+2ACN+2H"	84.067652
"1597208"	232.961328	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+K+HCOOH"	84.968628
"1428338"	262.992838	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+H+CF3COOH"	115.000138
"1153157"	136.543451	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+3ACN+2H"	125.094202
"1703801"	280.019385	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+NH4+CF3COOH"	132.026685
"1638358"	284.97478	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+Na+CF3COOH"	136.98208
"1582756"	300.94872	"C11353"	"2-Hydroxy-3-chloropenta-24-dienoate"	"C5H5ClO3"	"147.9927"	"M+K+CF3COOH"	152.95602
"813121"	128.0473	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M"	0
"988720"	109.02891	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-H2O-H"	-19.01839
"77450"	84.3575906666667	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M-3H"	-3.021828
"517620"	127.040024	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M-3H"	-3.021828
"895476"	41.6751573333333	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-3H"	-3.021828
"8644"	127.040024	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M-2H"	-2.014552
"449298"	191.063674	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M-2H"	-2.014552
"820537"	63.016374	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-2H"	-2.014552
"78988"	255.087324	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M-H"	-1.007276
"519109"	383.134624	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M-H"	-1.007276
"901178"	127.040024	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-H"	-1.007276
"54457"	272.113871	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M-2H+NH4"	16.019271
"492922"	400.161171	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M-2H+NH4"	16.019271
"869632"	144.066571	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-2H+NH4"	16.019271
"36446"	277.069266	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M-2H+Na"	20.974666
"479287"	405.116566	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M-2H+Na"	20.974666
"855997"	149.021966	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-2H+Na"	20.974666
"1633599"	149.021966	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Na-2H"	20.974666
"109115"	145.028363	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M-H+Cl"	33.962126
"549161"	209.052013	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M-H+Cl"	33.962126
"939149"	81.004713	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-H+Cl"	33.962126
"279165"	291.064002	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+Cl"	34.969402
"674625"	419.111302	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+Cl"	34.969402
"1287273"	163.016702	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Cl"	34.969402
"30803"	293.043206	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M-2H+K"	36.948606
"471091"	421.090506	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M-2H+K"	36.948606
"843908"	164.995906	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-2H+K"	36.948606
"1565211"	164.995906	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+K-2H"	36.948606
"950906"	173.045494	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-H+HCOOH"	44.998194
"366934"	301.092801	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+HCOOH-H"	44.998201
"358473"	315.108451	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+Hac-H"	59.013851
"1507914"	187.061151	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Hac-H"	59.013851
"968285"	195.027451	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-H+NaCOOH"	66.980151
"123395"	163.016702	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+2Cl"	69.938804
"562225"	227.040352	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+2Cl"	69.938804
"1035765"	98.993052	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2Cl"	69.938804
"1246231"	206.966185	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Br"	78.918885
"1308678"	209.022172	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Cl+HCOOH"	80.974872
"1328363"	231.004129	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Cl+NaCOOH"	102.956829
"923794"	241.032886	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M-H+CF3COOH"	112.985586
"1303427"	277.009564	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Cl+CF3COOH"	148.962264
"1381950"	93.034624	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H-2H2O"	-35.012676
"1387420"	111.0446	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H-H2O"	-17.0027
"286013"	257.101876	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+H"	1.007276
"686092"	385.149176	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+H"	1.007276
"1359160"	129.054576	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H"	1.007276
"134236"	129.054576	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+2H"	2.014552
"570517"	193.078226	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+2H"	2.014552
"1048066"	65.030926	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2H"	2.014552
"211591"	86.3721426666667	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+3H"	3.021828
"651152"	129.054576	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+3H"	3.021828
"1166364"	43.6897093333333	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+3H"	3.021828
"425622"	274.128423	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+NH4"	18.033823
"790629"	402.175723	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+NH4"	18.033823
"1685503"	146.081123	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+NH4"	18.033823
"330860"	137.5678495	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+H+NH4"	19.041099
"725471"	201.5914995	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+H+NH4"	19.041099
"1487685"	73.5441995	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H+NH4"	19.041099
"401988"	279.083818	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+Na"	22.989218
"764076"	407.131118	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+Na"	22.989218
"1615459"	151.036518	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Na"	22.989218
"325494"	140.045547	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+H+Na"	23.996494
"717916"	204.069197	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+H+Na"	23.996494
"1475024"	76.021897	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H+Na"	23.996494
"1067173"	51.0170233333333	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2H+Na"	25.00377
"1271039"	161.080786	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+CH3OH+H"	33.033486
"388520"	295.057758	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+K"	38.963158
"753370"	423.105058	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+K"	38.963158
"1555431"	167.010458	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+K"	38.963158
"313569"	148.032517	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+H+K"	39.970434
"698978"	212.056167	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+H+K"	39.970434
"1451703"	84.008867	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H+K"	39.970434
"243583"	298.128426	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+ACN+H"	42.033826
"1217386"	170.081126	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+ACN+H"	42.033826
"1204551"	85.544201	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+ACN+2H"	43.041102
"198523"	301.06576	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+2Na-H"	44.97116
"639177"	429.11306	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+2Na-H"	44.97116
"1135392"	173.01846	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2Na-H"	44.97116
"182692"	151.036518	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+2Na"	45.978436
"617145"	215.060168	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+2Na"	45.978436
"1120290"	87.012868	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2Na"	45.978436
"1401625"	58.3443373333333	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H+2Na"	46.985712
"1435930"	175.060046	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H+HCOOH"	47.012746
"232191"	156.06954	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+3H2O+2H"	56.04448
"1518795"	189.11209	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+IsoProp+H"	61.06479
"422128"	159.023488	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+Na+K"	61.952376
"784949"	223.047138	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+Na+K"	61.952376
"1679099"	94.999838	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Na+K"	61.952376
"264526"	320.110368	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+ACN+Na"	64.015768
"1239057"	192.063068	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+ACN+Na"	64.015768
"1725029"	192.086593	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+NH4+HCOOH"	64.039293
"1191840"	65.6716513333333	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+3Na"	68.967654
"1658450"	197.041988	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Na+HCOOH"	68.994688
"165311"	333.01364	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+2K-H"	76.91904
"609249"	461.06094	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+2K-H"	76.91904
"1096679"	204.96634	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2K-H"	76.91904
"153492"	167.010458	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"2M+2K"	77.926316
"585760"	231.034108	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"3M+2K"	77.926316
"1072460"	102.986808	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2K"	77.926316
"1104576"	206.980892	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2K+H"	78.933592
"1340962"	207.068507	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+DMSO+H"	79.021207
"1006938"	211.107676	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2ACN+H"	83.060376
"1533086"	212.101308	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+IsoProp+Na+H"	84.054008
"1003545"	106.057476	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+2ACN+2H"	84.067652
"1597318"	213.015928	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+K+HCOOH"	84.968628
"1429707"	243.047438	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+H+CF3COOH"	115.000138
"1154360"	126.570751	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+3ACN+2H"	125.094202
"1703911"	260.073985	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+NH4+CF3COOH"	132.026685
"1638468"	265.02938	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+Na+CF3COOH"	136.98208
"1582866"	281.00332	"C11354"	"2-Hydroxy-cis-hex-24-dienoate"	"C6H8O3"	"128.0473"	"M+K+CF3COOH"	152.95602
"812138"	225.0637	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M"	0
"987858"	206.04531	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-H2O-H"	-19.01839
"77194"	149.035190666667	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M-3H"	-3.021828
"516757"	224.056424	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M-3H"	-3.021828
"894432"	74.0139573333333	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-3H"	-3.021828
"8754"	224.056424	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M-2H"	-2.014552
"449408"	336.588274	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M-2H"	-2.014552
"819554"	111.524574	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-2H"	-2.014552
"78970"	449.120124	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M-H"	-1.007276
"519585"	674.183824	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M-H"	-1.007276
"901288"	224.056424	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-H"	-1.007276
"50193"	466.146671	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M-2H+NH4"	16.019271
"488661"	691.210371	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M-2H+NH4"	16.019271
"868649"	241.082971	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-2H+NH4"	16.019271
"37650"	471.102066	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M-2H+Na"	20.974666
"480490"	696.165766	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M-2H+Na"	20.974666
"857200"	246.038366	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-2H+Na"	20.974666
"1631843"	246.038366	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Na-2H"	20.974666
"107280"	242.044763	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M-H+Cl"	33.962126
"547812"	354.576613	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M-H+Cl"	33.962126
"939623"	129.512913	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-H+Cl"	33.962126
"280368"	485.096802	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+Cl"	34.969402
"671697"	710.160502	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+Cl"	34.969402
"1286896"	260.033102	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Cl"	34.969402
"28844"	487.076006	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M-2H+K"	36.948606
"469861"	712.139706	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M-2H+K"	36.948606
"844745"	262.012306	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-2H+K"	36.948606
"1564228"	262.012306	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+K-2H"	36.948606
"951016"	270.061894	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-H+HCOOH"	44.998194
"364857"	495.125601	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+HCOOH-H"	44.998201
"355304"	509.141251	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+Hac-H"	59.013851
"1501948"	284.077551	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Hac-H"	59.013851
"965844"	292.043851	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-H+NaCOOH"	66.980151
"122045"	260.033102	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+2Cl"	69.938804
"562333"	372.564952	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+2Cl"	69.938804
"1035875"	147.501252	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2Cl"	69.938804
"1246340"	303.982585	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Br"	78.918885
"1306965"	306.038572	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Cl+HCOOH"	80.974872
"1326286"	328.020529	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Cl+NaCOOH"	102.956829
"916249"	338.049286	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M-H+CF3COOH"	112.985586
"1301350"	374.025964	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Cl+CF3COOH"	148.962264
"1373312"	190.051024	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H-2H2O"	-35.012676
"1387531"	208.061	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H-H2O"	-17.0027
"285030"	451.134676	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+H"	1.007276
"682922"	676.198376	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+H"	1.007276
"1359270"	226.070976	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H"	1.007276
"128150"	226.070976	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+2H"	2.014552
"575002"	338.602826	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+2H"	2.014552
"1047082"	113.539126	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2H"	2.014552
"212797"	151.049742666667	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+3H"	3.021828
"649077"	226.070976	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+3H"	3.021828
"1164287"	76.0285093333333	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+3H"	3.021828
"424478"	468.161223	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+NH4"	18.033823
"789282"	693.224923	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+NH4"	18.033823
"1683793"	243.097523	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+NH4"	18.033823
"333891"	234.5842495	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+H+NH4"	19.041099
"725217"	347.1160995	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+H+NH4"	19.041099
"1488888"	122.0523995	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H+NH4"	19.041099
"402098"	473.116618	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+Na"	22.989218
"760906"	698.180318	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+Na"	22.989218
"1615571"	248.052918	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Na"	22.989218
"325240"	237.061947	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+H+Na"	23.996494
"718755"	349.593797	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+H+Na"	23.996494
"1472220"	124.530097	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H+Na"	23.996494
"1065463"	83.3558233333333	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2H+Na"	25.00377
"1269329"	258.097186	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+CH3OH+H"	33.033486
"388266"	489.090558	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+K"	38.963158
"753602"	714.154258	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+K"	38.963158
"1555296"	264.026858	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+K"	38.963158
"313597"	245.048917	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+H+K"	39.970434
"696902"	357.580767	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+H+K"	39.970434
"1453999"	132.517067	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H+K"	39.970434
"243693"	492.161226	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+ACN+H"	42.033826
"1216403"	267.097526	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+ACN+H"	42.033826
"1202475"	134.052401	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+ACN+2H"	43.041102
"198999"	495.09856	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+2Na-H"	44.97116
"639285"	720.16226	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+2Na-H"	44.97116
"1140606"	270.03486	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2Na-H"	44.97116
"184261"	248.052918	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+2Na"	45.978436
"615435"	360.584768	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+2Na"	45.978436
"1120400"	135.521068	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2Na"	45.978436
"1402101"	90.6831373333333	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H+2Na"	46.985712
"1434947"	272.076446	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H+HCOOH"	47.012746
"230844"	253.08594	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+3H2O+2H"	56.04448
"1517082"	286.12849	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+IsoProp+H"	61.06479
"420781"	256.039888	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+Na+K"	61.952376
"781049"	368.571738	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+Na+K"	61.952376
"1678482"	143.508038	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Na+K"	61.952376
"262814"	514.143168	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+ACN+Na"	64.015768
"1239531"	289.079468	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+ACN+Na"	64.015768
"1722222"	289.102993	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+NH4+HCOOH"	64.039293
"1189763"	98.0104513333333	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+3Na"	68.967654
"1658560"	294.058388	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Na+HCOOH"	68.994688
"165421"	527.04644	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+2K-H"	76.91904
"610451"	752.11014	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+2K-H"	76.91904
"1094966"	301.98274	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2K-H"	76.91904
"153602"	264.026858	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"2M+2K"	77.926316
"585870"	376.558708	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"3M+2K"	77.926316
"1073663"	151.495008	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2K"	77.926316
"1104686"	303.997292	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2K+H"	78.933592
"1337792"	304.084907	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+DMSO+H"	79.021207
"1009600"	308.124076	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2ACN+H"	83.060376
"1531009"	309.117708	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+IsoProp+Na+H"	84.054008
"1001833"	154.565676	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+2ACN+2H"	84.067652
"1591960"	310.032328	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+K+HCOOH"	84.968628
"1426370"	340.063838	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+H+CF3COOH"	115.000138
"1153377"	175.078951	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+3ACN+2H"	125.094202
"1704021"	357.090385	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+NH4+CF3COOH"	132.026685
"1641858"	362.04578	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+Na+CF3COOH"	136.98208
"1582976"	378.01972	"C11355"	"4-Amino-4-deoxychorismate;ADC"	"C10H11NO5"	"225.0637"	"M+K+CF3COOH"	152.95602
"813341"	450.1936	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M"	0
"987968"	431.17521	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H2O-H"	-19.01839
"77062"	299.121790666667	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-3H"	-3.021828
"517112"	449.186324	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-3H"	-3.021828
"894663"	149.057257333333	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-3H"	-3.021828
"8863"	449.186324	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H"	-2.014552
"446237"	674.283124	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H"	-2.014552
"820757"	224.089524	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H"	-2.014552
"79164"	899.379924	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H"	-1.007276
"520181"	1349.573524	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H"	-1.007276
"901398"	449.186324	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H"	-1.007276
"50303"	916.406471	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+NH4"	16.019271
"489864"	1366.600071	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+NH4"	16.019271
"868759"	466.212871	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+NH4"	16.019271
"37759"	921.361866	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+Na"	20.974666
"481694"	1371.555466	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+Na"	20.974666
"859499"	471.168266	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+Na"	20.974666
"1633173"	471.168266	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na-2H"	20.974666
"108121"	467.174663	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H+Cl"	33.962126
"549018"	692.271463	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H+Cl"	33.962126
"942411"	242.077863	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+Cl"	33.962126
"281818"	935.356602	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Cl"	34.969402
"673387"	1385.550202	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Cl"	34.969402
"1286766"	485.163002	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl"	34.969402
"29321"	937.335806	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+K"	36.948606
"470219"	1387.529406	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+K"	36.948606
"847408"	487.142206	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+K"	36.948606
"1564338"	487.142206	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K-2H"	36.948606
"951127"	495.191794	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+HCOOH"	44.998194
"368249"	945.385401	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+HCOOH-H"	44.998201
"352863"	959.401051	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Hac-H"	59.013851
"1500965"	509.207451	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Hac-H"	59.013851
"969965"	517.173751	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+NaCOOH"	66.980151
"123858"	485.163002	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Cl"	69.938804
"563903"	710.259802	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Cl"	69.938804
"1035620"	260.066202	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Cl"	69.938804
"1248637"	529.112485	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Br"	78.918885
"1311083"	531.168472	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+HCOOH"	80.974872
"1325303"	553.150429	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+NaCOOH"	102.956829
"918546"	563.179186	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+CF3COOH"	112.985586
"1301822"	599.155864	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+CF3COOH"	148.962264
"1374515"	415.180924	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-2H2O"	-35.012676
"1390917"	433.1909	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-H2O"	-17.0027
"294980"	901.394476	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H"	1.007276
"684125"	1351.588076	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H"	1.007276
"1360473"	451.200876	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H"	1.007276
"133361"	451.200876	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2H"	2.014552
"569642"	676.297676	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2H"	2.014552
"1048285"	226.104076	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H"	2.014552
"215094"	301.136342666667	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H"	3.021828
"651373"	451.200876	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+3H"	3.021828
"1168407"	151.071809333333	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3H"	3.021828
"425116"	918.421023	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+NH4"	18.033823
"789392"	1368.614623	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+NH4"	18.033823
"1690099"	468.227423	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4"	18.033823
"335093"	459.7141495	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+NH4"	19.041099
"725327"	684.8109495	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+NH4"	19.041099
"1491553"	234.6173495	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+NH4"	19.041099
"398929"	923.376418	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na"	22.989218
"761016"	1373.570018	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na"	22.989218
"1615685"	473.182818	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na"	22.989218
"325350"	462.191847	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+Na"	23.996494
"719229"	687.288647	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+Na"	23.996494
"1472329"	237.095047	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+Na"	23.996494
"1065208"	158.399123333333	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H+Na"	25.00377
"1269436"	483.227086	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+CH3OH+H"	33.033486
"389105"	939.350358	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+K"	38.963158
"753996"	1389.543958	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+K"	38.963158
"1554832"	489.156758	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K"	38.963158
"311881"	470.178817	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+K"	39.970434
"701385"	695.275617	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+K"	39.970434
"1453019"	245.082017	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+K"	39.970434
"242712"	942.421026	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+H"	42.033826
"1217608"	492.227426	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+H"	42.033826
"1201492"	246.617351	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+2H"	43.041102
"202633"	945.35836	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na-H"	44.97116
"641947"	1395.55196	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na-H"	44.97116
"1145821"	495.16476	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na-H"	44.97116
"180727"	473.182818	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na"	45.978436
"620287"	698.279618	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na"	45.978436
"1128895"	248.086018	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na"	45.978436
"1413391"	165.726437333333	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+2Na"	46.985712
"1439433"	497.206346	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+HCOOH"	47.012746
"232048"	478.21584	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H2O+2H"	56.04448
"1519385"	511.25839	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+H"	61.06479
"420162"	481.169788	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na+K"	61.952376
"781159"	706.266588	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na+K"	61.952376
"1678229"	256.072988	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+K"	61.952376
"264019"	964.402968	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+Na"	64.015768
"1239279"	514.209368	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+Na"	64.015768
"1722332"	514.232893	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+HCOOH"	64.039293
"1192788"	173.053751333333	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3Na"	68.967654
"1660128"	519.188288	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+HCOOH"	68.994688
"166990"	977.30624	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K-H"	76.91904
"609104"	1427.49984	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K-H"	76.91904
"1095076"	527.11264	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K-H"	76.91904
"152984"	489.156758	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K"	77.926316
"589990"	714.253558	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K"	77.926316
"1075596"	264.059958	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K"	77.926316
"1106619"	529.127192	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K+H"	78.933592
"1336683"	529.214807	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+DMSO+H"	79.021207
"1017003"	533.253976	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+H"	83.060376
"1525164"	534.247608	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+Na+H"	84.054008
"997567"	267.130626	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+2H"	84.067652
"1592070"	535.162228	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+HCOOH"	84.968628
"1424293"	565.193738	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+CF3COOH"	115.000138
"1153487"	287.643901	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3ACN+2H"	125.094202
"1698663"	582.220285	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+CF3COOH"	132.026685
"1638688"	587.17568	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+CF3COOH"	136.98208
"1583086"	603.14962	"C11356"	"transtranscis-Geranylgeranyl diphosphate;transtranscis-Geranylgeranyl pyrophosphate;Geranylneryl diphosphate;2-cis6-trans10-trans-Geranylgeranyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+CF3COOH"	152.95602
"813451"	162.1157	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M"	0
"983703"	143.09731	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-H2O-H"	-19.01839
"75225"	107.069857333333	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M-3H"	-3.021828
"515879"	161.108424	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M-3H"	-3.021828
"894773"	53.0312906666667	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-3H"	-3.021828
"3506"	161.108424	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M-2H"	-2.014552
"446347"	242.166274	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M-2H"	-2.014552
"819774"	80.050574	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-2H"	-2.014552
"79028"	323.224124	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M-H"	-1.007276
"519159"	485.339824	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M-H"	-1.007276
"898227"	161.108424	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-H"	-1.007276
"49320"	340.250671	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M-2H+NH4"	16.019271
"488391"	502.366371	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M-2H+NH4"	16.019271
"864613"	178.134971	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-2H+NH4"	16.019271
"34589"	345.206066	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M-2H+Na"	20.974666
"478522"	507.321766	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M-2H+Na"	20.974666
"855233"	183.090366	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-2H+Na"	20.974666
"1633283"	183.090366	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Na-2H"	20.974666
"107868"	179.096763	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M-H+Cl"	33.962126
"548521"	260.154613	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M-H+Cl"	33.962126
"941066"	98.038913	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-H+Cl"	33.962126
"281684"	359.200802	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+Cl"	34.969402
"674593"	521.316502	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+Cl"	34.969402
"1287727"	197.085102	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Cl"	34.969402
"30282"	361.180006	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M-2H+K"	36.948606
"470934"	523.295706	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M-2H+K"	36.948606
"847518"	199.064306	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-2H+K"	36.948606
"1568821"	199.064306	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+K-2H"	36.948606
"949050"	207.113894	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-H+HCOOH"	44.998194
"367266"	369.229601	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+HCOOH-H"	44.998201
"350057"	383.245251	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+Hac-H"	59.013851
"1501075"	221.129551	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Hac-H"	59.013851
"968982"	229.095851	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-H+NaCOOH"	66.980151
"124332"	197.085102	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+2Cl"	69.938804
"564377"	278.142952	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+2Cl"	69.938804
"1036544"	116.027252	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2Cl"	69.938804
"1248747"	241.034585	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Br"	78.918885
"1312287"	243.090572	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Cl+HCOOH"	80.974872
"1325411"	265.072529	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Cl+NaCOOH"	102.956829
"919749"	275.101286	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M-H+CF3COOH"	112.985586
"1300839"	311.077964	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Cl+CF3COOH"	148.962264
"1374625"	127.103024	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H-2H2O"	-35.012676
"1387747"	145.113	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H-H2O"	-17.0027
"295090"	325.238676	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+H"	1.007276
"684235"	487.354376	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+H"	1.007276
"1360583"	163.122976	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H"	1.007276
"133471"	163.122976	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+2H"	2.014552
"570116"	244.180826	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+2H"	2.014552
"1045115"	82.065126	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2H"	2.014552
"211924"	109.084409333333	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+3H"	3.021828
"648203"	163.122976	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+3H"	3.021828
"1167424"	55.0458426666667	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+3H"	3.021828
"427047"	342.265223	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+NH4"	18.033823
"786826"	504.380923	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+NH4"	18.033823
"1685105"	180.149523	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+NH4"	18.033823
"331311"	171.6362495	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+H+NH4"	19.041099
"722891"	252.6940995	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+H+NH4"	19.041099
"1490201"	90.5783995	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H+NH4"	19.041099
"399039"	347.220618	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+Na"	22.989218
"761126"	509.336318	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+Na"	22.989218
"1615792"	185.104918	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Na"	22.989218
"324731"	174.113947	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+H+Na"	23.996494
"714965"	255.171797	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+H+Na"	23.996494
"1474627"	93.056097	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H+Na"	23.996494
"1066048"	62.3731566666667	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2H+Na"	25.00377
"1270276"	195.149186	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+CH3OH+H"	33.033486
"388851"	363.194558	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+K"	38.963158
"753987"	525.310258	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+K"	38.963158
"1554942"	201.078858	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+K"	38.963158
"311991"	182.100917	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+H+K"	39.970434
"699307"	263.158767	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+H+K"	39.970434
"1455315"	101.043067	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H+K"	39.970434
"242822"	366.265226	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+ACN+H"	42.033826
"1218811"	204.149526	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+ACN+H"	42.033826
"1200507"	102.578401	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+ACN+2H"	43.041102
"202135"	369.20256	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+2Na-H"	44.97116
"641937"	531.31826	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+2Na-H"	44.97116
"1145809"	207.08686	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2Na-H"	44.97116
"180837"	185.104918	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+2Na"	45.978436
"620397"	266.162768	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+2Na"	45.978436
"1127182"	104.047068	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2Na"	45.978436
"1413258"	69.7004706666667	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H+2Na"	46.985712
"1439543"	209.128446	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H+HCOOH"	47.012746
"231795"	190.13794	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+3H2O+2H"	56.04448
"1519859"	223.18049	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+IsoProp+H"	61.06479
"420637"	193.091888	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+Na+K"	61.952376
"781999"	274.149738	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+Na+K"	61.952376
"1678704"	112.034038	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Na+K"	61.952376
"264858"	388.247168	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+ACN+Na"	64.015768
"1239878"	226.131468	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+ACN+Na"	64.015768
"1723900"	226.154993	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+NH4+HCOOH"	64.039293
"1190347"	77.0277846666667	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+3Na"	68.967654
"1659510"	231.110388	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Na+HCOOH"	68.994688
"167100"	401.15044	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+2K-H"	76.91904
"610671"	563.26614	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+2K-H"	76.91904
"1095915"	239.03474	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2K-H"	76.91904
"153094"	201.078858	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"2M+2K"	77.926316
"589007"	282.136708	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"3M+2K"	77.926316
"1075342"	120.021008	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2K"	77.926316
"1104906"	241.049292	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2K+H"	78.933592
"1336429"	241.136907	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+DMSO+H"	79.021207
"1014926"	245.176076	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2ACN+H"	83.060376
"1526854"	246.169708	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+IsoProp+Na+H"	84.054008
"997677"	123.091676	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+2ACN+2H"	84.067652
"1592180"	247.084328	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+K+HCOOH"	84.968628
"1424039"	277.115838	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+H+CF3COOH"	115.000138
"1153597"	143.604951	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+3ACN+2H"	125.094202
"1699866"	294.142385	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+NH4+CF3COOH"	132.026685
"1638798"	299.09778	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+Na+CF3COOH"	136.98208
"1583196"	315.07172	"C11357"	"(-)-Anabasine"	"C10H14N2"	"162.1157"	"M+K+CF3COOH"	152.95602
"814655"	224.1889	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M"	0
"988187"	205.17051	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-H2O-H"	-19.01839
"75335"	148.451990666667	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M-3H"	-3.021828
"515989"	223.181624	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M-3H"	-3.021828
"893790"	73.7223573333333	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-3H"	-3.021828
"3616"	223.181624	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M-2H"	-2.014552
"446457"	335.276074	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M-2H"	-2.014552
"819155"	111.087174	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-2H"	-2.014552
"79380"	447.370524	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M-H"	-1.007276
"518941"	671.559424	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M-H"	-1.007276
"897244"	223.181624	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-H"	-1.007276
"48337"	464.397071	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M-2H+NH4"	16.019271
"487650"	688.585971	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M-2H+NH4"	16.019271
"866791"	240.208171	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-2H+NH4"	16.019271
"40166"	469.352466	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M-2H+Na"	20.974666
"483735"	693.541366	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M-2H+Na"	20.974666
"858624"	245.163566	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-2H+Na"	20.974666
"1633759"	245.163566	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Na-2H"	20.974666
"109437"	241.169963	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M-H+Cl"	33.962126
"549692"	353.264413	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M-H+Cl"	33.962126
"942560"	129.075513	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-H+Cl"	33.962126
"282573"	483.347202	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+Cl"	34.969402
"675396"	707.536102	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+Cl"	34.969402
"1288365"	259.158302	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Cl"	34.969402
"31370"	485.326406	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M-2H+K"	36.948606
"469099"	709.515306	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M-2H+K"	36.948606
"846168"	261.137506	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-2H+K"	36.948606
"1570756"	261.137506	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+K-2H"	36.948606
"953534"	269.187094	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-H+HCOOH"	44.998194
"371022"	493.376001	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+HCOOH-H"	44.998201
"352354"	507.391651	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+Hac-H"	59.013851
"1503738"	283.202751	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Hac-H"	59.013851
"974162"	291.169051	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-H+NaCOOH"	66.980151
"123837"	259.158302	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+2Cl"	69.938804
"565221"	371.252752	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+2Cl"	69.938804
"1034749"	147.063852	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2Cl"	69.938804
"1252137"	303.107785	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Br"	78.918885
"1318230"	305.163772	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Cl+HCOOH"	80.974872
"1327708"	327.145729	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Cl+NaCOOH"	102.956829
"920953"	337.174486	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M-H+CF3COOH"	112.985586
"1299856"	373.151164	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Cl+CF3COOH"	148.962264
"1374735"	189.176224	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H-2H2O"	-35.012676
"1387857"	207.1862	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H-H2O"	-17.0027
"288640"	449.385076	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+H"	1.007276
"684345"	673.573976	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+H"	1.007276
"1358507"	225.196176	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H"	1.007276
"131395"	225.196176	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+2H"	2.014552
"575331"	337.290626	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+2H"	2.014552
"1045225"	113.101726	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2H"	2.014552
"210942"	150.466542666667	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+3H"	3.021828
"648677"	225.196176	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+3H"	3.021828
"1167534"	75.7369093333333	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+3H"	3.021828
"426064"	466.411623	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+NH4"	18.033823
"787059"	690.600523	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+NH4"	18.033823
"1685579"	242.222723	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+NH4"	18.033823
"329974"	233.7094495	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+H+NH4"	19.041099
"722841"	345.8038995	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+H+NH4"	19.041099
"1488124"	121.6149995	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H+NH4"	19.041099
"399149"	471.367018	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+Na"	22.989218
"761236"	695.555918	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+Na"	22.989218
"1610431"	247.178118	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Na"	22.989218
"323748"	236.187147	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+H+Na"	23.996494
"712885"	348.281597	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+H+Na"	23.996494
"1476726"	124.092697	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H+Na"	23.996494
"1067249"	83.0642233333333	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2H+Na"	25.00377
"1268195"	257.222386	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+CH3OH+H"	33.033486
"390051"	487.340958	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+K"	38.963158
"753848"	711.529858	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+K"	38.963158
"1554806"	263.152058	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+K"	38.963158
"312101"	244.174117	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+H+K"	39.970434
"699416"	356.268567	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+H+K"	39.970434
"1454332"	132.079667	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H+K"	39.970434
"242932"	490.411626	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+ACN+H"	42.033826
"1218921"	266.222726	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+ACN+H"	42.033826
"1201711"	133.615001	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+ACN+2H"	43.041102
"202848"	493.34896	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+2Na-H"	44.97116
"634144"	717.53786	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+2Na-H"	44.97116
"1136188"	269.16006	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2Na-H"	44.97116
"187385"	247.178118	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+2Na"	45.978436
"625972"	359.272568	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+2Na"	45.978436
"1130696"	135.083668	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2Na"	45.978436
"1412637"	90.3915373333333	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H+2Na"	46.985712
"1437830"	271.201646	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H+HCOOH"	47.012746
"233725"	252.21114	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+3H2O+2H"	56.04448
"1520697"	285.25369	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+IsoProp+H"	61.06479
"421840"	255.165088	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+Na+K"	61.952376
"782111"	367.259538	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+Na+K"	61.952376
"1681196"	143.070638	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Na+K"	61.952376
"265823"	512.393568	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+ACN+Na"	64.015768
"1240719"	288.204668	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+ACN+Na"	64.015768
"1726199"	288.228193	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+NH4+HCOOH"	64.039293
"1192770"	97.7188513333333	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+3Na"	68.967654
"1663633"	293.183588	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Na+HCOOH"	68.994688
"170856"	525.29684	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+2K-H"	76.91904
"610782"	749.48574	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+2K-H"	76.91904
"1098456"	301.10794	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2K-H"	76.91904
"153203"	263.152058	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"2M+2K"	77.926316
"590209"	375.246508	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"3M+2K"	77.926316
"1076180"	151.057608	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2K"	77.926316
"1105016"	303.122492	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2K+H"	78.933592
"1338121"	303.210107	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+DMSO+H"	79.021207
"1016859"	307.249276	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2ACN+H"	83.060376
"1529150"	308.242908	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+IsoProp+Na+H"	84.054008
"997787"	154.128276	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+2ACN+2H"	84.067652
"1592290"	309.157528	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+K+HCOOH"	84.968628
"1426700"	339.189038	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+H+CF3COOH"	115.000138
"1156987"	174.641551	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+3ACN+2H"	125.094202
"1702163"	356.215585	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+NH4+CF3COOH"	132.026685
"1642188"	361.17098	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+Na+CF3COOH"	136.98208
"1583306"	377.14492	"C11358"	"D-(-)-Anaferine;(-)-Anaferine"	"C13H24N2O"	"224.1889"	"M+K+CF3COOH"	152.95602
"812578"	141.1154	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M"	0
"980642"	122.09701	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-H2O-H"	-19.01839
"71071"	93.0696573333333	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M-3H"	-3.021828
"513911"	140.108124	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M-3H"	-3.021828
"886245"	46.0311906666667	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-3H"	-3.021828
"3726"	140.108124	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H"	-2.014552
"440280"	210.665824	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H"	-2.014552
"817226"	69.550424	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-2H"	-2.014552
"79005"	281.223524	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M-H"	-1.007276
"518725"	422.338924	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M-H"	-1.007276
"897354"	140.108124	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-H"	-1.007276
"47593"	298.250071	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H+NH4"	16.019271
"487116"	439.365471	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H+NH4"	16.019271
"864384"	157.134671	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-2H+NH4"	16.019271
"31517"	303.205466	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H+Na"	20.974666
"480929"	444.320866	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H+Na"	20.974666
"856547"	162.090066	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-2H+Na"	20.974666
"1633503"	162.090066	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Na-2H"	20.974666
"109543"	158.096463	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M-H+Cl"	33.962126
"549108"	228.654163	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M-H+Cl"	33.962126
"942381"	87.538763	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-H+Cl"	33.962126
"282395"	317.200202	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+Cl"	34.969402
"675345"	458.315602	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+Cl"	34.969402
"1288235"	176.084802	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl"	34.969402
"29648"	319.179406	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M-2H+K"	36.948606
"470181"	460.294806	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M-2H+K"	36.948606
"845548"	178.064006	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-2H+K"	36.948606
"1570500"	178.064006	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+K-2H"	36.948606
"953644"	186.113594	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-H+HCOOH"	44.998194
"371496"	327.229001	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+HCOOH-H"	44.998201
"354651"	341.244651	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+Hac-H"	59.013851
"1502389"	200.129251	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Hac-H"	59.013851
"972483"	208.095551	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-H+NaCOOH"	66.980151
"125160"	176.084802	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+2Cl"	69.938804
"565576"	246.642502	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+2Cl"	69.938804
"1037024"	105.527102	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2Cl"	69.938804
"1252247"	220.034285	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Br"	78.918885
"1314693"	222.090272	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl+HCOOH"	80.974872
"1327818"	244.072229	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl+NaCOOH"	102.956829
"922156"	254.100986	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M-H+CF3COOH"	112.985586
"1299966"	290.077664	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Cl+CF3COOH"	148.962264
"1374845"	106.102724	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H-2H2O"	-35.012676
"1391247"	124.1127	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H-H2O"	-17.0027
"292030"	283.238076	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+H"	1.007276
"682268"	424.353476	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+H"	1.007276
"1354243"	142.122676	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H"	1.007276
"131504"	142.122676	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+2H"	2.014552
"570336"	212.680376	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+2H"	2.014552
"1041322"	71.564976	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2H"	2.014552
"211050"	95.0842093333333	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+3H"	3.021828
"648056"	142.122676	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+3H"	3.021828
"1165089"	48.0457426666667	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+3H"	3.021828
"427267"	300.264623	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+NH4"	18.033823
"788626"	441.380023	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+NH4"	18.033823
"1682402"	159.149223	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+NH4"	18.033823
"331044"	150.6359495	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+H+NH4"	19.041099
"722856"	221.1936495	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+H+NH4"	19.041099
"1486047"	80.0782495	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H+NH4"	19.041099
"400351"	305.220018	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+Na"	22.989218
"756971"	446.335418	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+Na"	22.989218
"1605428"	164.104618	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Na"	22.989218
"323857"	153.113647	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+H+Na"	23.996494
"712995"	223.671347	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+H+Na"	23.996494
"1476914"	82.555947	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H+Na"	23.996494
"1068088"	55.3730566666667	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2H+Na"	25.00377
"1268305"	174.148886	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+CH3OH+H"	33.033486
"390161"	321.193958	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+K"	38.963158
"752983"	462.309358	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+K"	38.963158
"1555444"	180.078558	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+K"	38.963158
"313183"	161.100617	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+H+K"	39.970434
"702806"	231.658317	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+H+K"	39.970434
"1455533"	90.542917	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H+K"	39.970434
"243041"	324.264626	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+ACN+H"	42.033826
"1217938"	183.149226	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+ACN+H"	42.033826
"1204007"	92.078251	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+ACN+2H"	43.041102
"203891"	327.20196	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+2Na-H"	44.97116
"634618"	468.31736	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+2Na-H"	44.97116
"1136298"	186.08656	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2Na-H"	44.97116
"187132"	164.104618	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+2Na"	45.978436
"627542"	234.662318	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+2Na"	45.978436
"1129469"	93.546918	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2Na"	45.978436
"1413236"	62.7003706666667	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H+2Na"	46.985712
"1444015"	188.128146	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H+HCOOH"	47.012746
"232734"	169.13764	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+3H2O+2H"	56.04448
"1515333"	202.18019	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+IsoProp+H"	61.06479
"413560"	172.091588	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+Na+K"	61.952376
"784404"	242.649288	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+Na+K"	61.952376
"1679644"	101.533888	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Na+K"	61.952376
"263623"	346.246568	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+ACN+Na"	64.015768
"1239248"	205.131168	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+ACN+Na"	64.015768
"1725579"	205.154693	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+NH4+HCOOH"	64.039293
"1191298"	70.0276846666667	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+3Na"	68.967654
"1663376"	210.110088	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Na+HCOOH"	68.994688
"170964"	359.14984	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+2K-H"	76.91904
"611257"	500.26524	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+2K-H"	76.91904
"1099050"	218.03444	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2K-H"	76.91904
"151125"	180.078558	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"2M+2K"	77.926316
"586309"	250.636258	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"3M+2K"	77.926316
"1076290"	109.520858	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2K"	77.926316
"1105126"	220.048992	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2K+H"	78.933592
"1338231"	220.136607	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+DMSO+H"	79.021207
"1018062"	224.175776	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2ACN+H"	83.060376
"1528167"	225.169408	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+IsoProp+Na+H"	84.054008
"997897"	112.591526	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+2ACN+2H"	84.067652
"1592400"	226.084028	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+K+HCOOH"	84.968628
"1425716"	256.115538	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+H+CF3COOH"	115.000138
"1157097"	133.104801	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+3ACN+2H"	125.094202
"1701180"	273.142085	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+NH4+CF3COOH"	132.026685
"1642298"	278.09748	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+Na+CF3COOH"	136.98208
"1583416"	294.07142	"C11359"	"(-)-Hygrine"	"C8H15NO"	"141.1154"	"M+K+CF3COOH"	152.95602
"811595"	148.1	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M"	0
"980752"	129.08161	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-H2O-H"	-19.01839
"71181"	97.7260573333333	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M-3H"	-3.021828
"512928"	147.092724	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M-3H"	-3.021828
"886355"	48.3593906666667	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-3H"	-3.021828
"3836"	147.092724	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M-2H"	-2.014552
"440433"	221.142724	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M-2H"	-2.014552
"817784"	73.042724	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-2H"	-2.014552
"81174"	295.192724	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M-H"	-1.007276
"519035"	443.292724	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M-H"	-1.007276
"898556"	147.092724	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-H"	-1.007276
"47582"	312.219271	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M-2H+NH4"	16.019271
"487495"	460.319271	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M-2H+NH4"	16.019271
"865309"	164.119271	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-2H+NH4"	16.019271
"31862"	317.174666	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M-2H+Na"	20.974666
"477759"	465.274666	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M-2H+Na"	20.974666
"855563"	169.074666	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-2H+Na"	20.974666
"1632397"	169.074666	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Na-2H"	20.974666
"107829"	165.081063	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M-H+Cl"	33.962126
"549096"	239.131063	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M-H+Cl"	33.962126
"942006"	91.031063	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-H+Cl"	33.962126
"281773"	331.169402	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+Cl"	34.969402
"675210"	479.269402	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+Cl"	34.969402
"1287205"	183.069402	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Cl"	34.969402
"28665"	333.148606	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M-2H+K"	36.948606
"468590"	481.248606	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M-2H+K"	36.948606
"846751"	185.048606	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-2H+K"	36.948606
"1568424"	185.048606	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+K-2H"	36.948606
"954119"	193.098194	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-H+HCOOH"	44.998194
"371606"	341.198201	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+HCOOH-H"	44.998201
"354761"	355.213851	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+Hac-H"	59.013851
"1500312"	207.113851	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Hac-H"	59.013851
"970042"	215.080151	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-H+NaCOOH"	66.980151
"124177"	183.069402	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+2Cl"	69.938804
"563615"	257.119402	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+2Cl"	69.938804
"1036426"	109.019402	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2Cl"	69.938804
"1252357"	227.018885	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Br"	78.918885
"1313710"	229.074872	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Cl+HCOOH"	80.974872
"1326835"	251.056829	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Cl+NaCOOH"	102.956829
"921173"	261.085586	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M-H+CF3COOH"	112.985586
"1296796"	297.062264	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Cl+CF3COOH"	148.962264
"1372768"	113.087324	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H-2H2O"	-35.012676
"1391357"	131.0973	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H-H2O"	-17.0027
"288855"	297.207276	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+H"	1.007276
"682374"	445.307276	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+H"	1.007276
"1363097"	149.107276	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H"	1.007276
"135985"	149.107276	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+2H"	2.014552
"569353"	223.157276	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+2H"	2.014552
"1041432"	75.057276	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2H"	2.014552
"207143"	99.7406093333333	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+3H"	3.021828
"648167"	149.107276	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+3H"	3.021828
"1164470"	50.3739426666667	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+3H"	3.021828
"426648"	314.233823	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+NH4"	18.033823
"786913"	462.333823	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+NH4"	18.033823
"1682513"	166.133823	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+NH4"	18.033823
"330790"	157.6205495	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+H+NH4"	19.041099
"723289"	231.6705495	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+H+NH4"	19.041099
"1486157"	83.5705495	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H+NH4"	19.041099
"400461"	319.189218	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+Na"	22.989218
"757081"	467.289218	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+Na"	22.989218
"1604811"	171.089218	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Na"	22.989218
"318496"	160.098247	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+H+Na"	23.996494
"709825"	234.148247	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+H+Na"	23.996494
"1476742"	86.048247	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H+Na"	23.996494
"1067469"	57.7012566666667	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2H+Na"	25.00377
"1265134"	181.133486	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+CH3OH+H"	33.033486
"386991"	335.163158	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+K"	38.963158
"753338"	483.263158	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+K"	38.963158
"1554052"	187.063158	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+K"	38.963158
"312321"	168.085217	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+H+K"	39.970434
"701822"	242.135217	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+H+K"	39.970434
"1456736"	94.035217	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H+K"	39.970434
"240963"	338.233826	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+ACN+H"	42.033826
"1215859"	190.133826	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+ACN+H"	42.033826
"1200836"	95.570551	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+ACN+2H"	43.041102
"203069"	341.17116	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+2Na-H"	44.97116
"634364"	489.27116	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+2Na-H"	44.97116
"1135314"	193.07116	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2Na-H"	44.97116
"186635"	171.089218	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+2Na"	45.978436
"627654"	245.139218	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+2Na"	45.978436
"1130186"	97.039218	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2Na"	45.978436
"1413347"	65.0285706666667	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H+2Na"	46.985712
"1444972"	195.112746	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H+HCOOH"	47.012746
"232844"	176.12224	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+3H2O+2H"	56.04448
"1515807"	209.16479	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+IsoProp+H"	61.06479
"414034"	179.076188	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+Na+K"	61.952376
"781963"	253.126188	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+Na+K"	61.952376
"1676838"	105.026188	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Na+K"	61.952376
"265557"	360.215768	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+ACN+Na"	64.015768
"1239724"	212.115768	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+ACN+Na"	64.015768
"1725328"	212.139293	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+NH4+HCOOH"	64.039293
"1192140"	72.3558846666667	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+3Na"	68.967654
"1664582"	217.094688	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Na+HCOOH"	68.994688
"171440"	373.11904	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+2K-H"	76.91904
"612096"	521.21904	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+2K-H"	76.91904
"1098676"	225.01904	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2K-H"	76.91904
"150871"	187.063158	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"2M+2K"	77.926316
"586419"	261.113158	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"3M+2K"	77.926316
"1079680"	113.013158	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2K"	77.926316
"1108516"	227.033592	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2K+H"	78.933592
"1341621"	227.121207	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+DMSO+H"	79.021207
"1018900"	231.160376	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2ACN+H"	83.060376
"1530464"	232.154008	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+IsoProp+Na+H"	84.054008
"998007"	116.083826	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+2ACN+2H"	84.067652
"1592510"	233.068628	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+K+HCOOH"	84.968628
"1425826"	263.100138	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+H+CF3COOH"	115.000138
"1157207"	136.597101	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+3ACN+2H"	125.094202
"1701290"	280.126685	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+NH4+CF3COOH"	132.026685
"1642408"	285.08208	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+Na+CF3COOH"	136.98208
"1583526"	301.05602	"C11360"	"()-Nornicotine"	"C9H12N2"	"148.1"	"M+K+CF3COOH"	152.95602
"812798"	481.2498	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M"	0
"980862"	462.23141	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-H2O-H"	-19.01839
"71292"	319.825924	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M-3H"	-3.021828
"511945"	480.242524	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M-3H"	-3.021828
"885372"	159.409324	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-3H"	-3.021828
"3946"	480.242524	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M-2H"	-2.014552
"440038"	720.867424	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M-2H"	-2.014552
"817171"	239.617624	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-2H"	-2.014552
"80563"	961.492324	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M-H"	-1.007276
"518556"	1442.742124	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M-H"	-1.007276
"899031"	480.242524	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-H"	-1.007276
"48421"	978.518871	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M-2H+NH4"	16.019271
"489319"	1459.768671	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M-2H+NH4"	16.019271
"864810"	497.269071	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-2H+NH4"	16.019271
"31731"	983.474266	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M-2H+Na"	20.974666
"471780"	1464.724066	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M-2H+Na"	20.974666
"857861"	502.224466	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-2H+Na"	20.974666
"1632873"	502.224466	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Na-2H"	20.974666
"108554"	498.230863	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M-H+Cl"	33.962126
"549211"	738.855763	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M-H+Cl"	33.962126
"941388"	257.605963	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-H+Cl"	33.962126
"282010"	997.469002	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+Cl"	34.969402
"674304"	1478.718802	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+Cl"	34.969402
"1287684"	516.219202	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Cl"	34.969402
"29382"	999.448206	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M-2H+K"	36.948606
"469793"	1480.698006	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M-2H+K"	36.948606
"845767"	518.198406	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-2H+K"	36.948606
"1570356"	518.198406	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+K-2H"	36.948606
"957024"	526.247994	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-H+HCOOH"	44.998194
"373904"	1007.497801	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+HCOOH-H"	44.998201
"355965"	1021.513451	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+Hac-H"	59.013851
"1502609"	540.263651	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Hac-H"	59.013851
"968330"	548.229951	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-H+NaCOOH"	66.980151
"125138"	516.219202	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+2Cl"	69.938804
"564089"	756.844102	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+2Cl"	69.938804
"1036302"	275.594302	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2Cl"	69.938804
"1255383"	560.168685	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Br"	78.918885
"1316007"	562.224672	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Cl+HCOOH"	80.974872
"1331318"	584.206629	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Cl+NaCOOH"	102.956829
"925655"	594.235386	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M-H+CF3COOH"	112.985586
"1294719"	630.212064	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Cl+CF3COOH"	148.962264
"1367069"	446.237124	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H-2H2O"	-35.012676
"1391467"	464.2471	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H-H2O"	-17.0027
"294433"	963.506876	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+H"	1.007276
"679932"	1444.756676	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+H"	1.007276
"1362113"	482.257076	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H"	1.007276
"136095"	482.257076	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+2H"	2.014552
"570556"	722.881976	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+2H"	2.014552
"1040810"	241.632176	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2H"	2.014552
"207251"	321.840476	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+3H"	3.021828
"649735"	482.257076	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+3H"	3.021828
"1164456"	161.423876	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+3H"	3.021828
"426028"	980.533423	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+NH4"	18.033823
"787021"	1461.783223	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+NH4"	18.033823
"1682988"	499.283623	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+NH4"	18.033823
"331628"	490.7703495	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+H+NH4"	19.041099
"723566"	731.3952495	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+H+NH4"	19.041099
"1487360"	250.1454495	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H+NH4"	19.041099
"400571"	985.488818	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+Na"	22.989218
"758284"	1466.738618	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+Na"	22.989218
"1604557"	504.239018	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Na"	22.989218
"319699"	493.248047	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+H+Na"	23.996494
"712121"	733.872947	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+H+Na"	23.996494
"1475071"	252.623147	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H+Na"	23.996494
"1064661"	168.75119	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2H+Na"	25.00377
"1264151"	514.283286	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+CH3OH+H"	33.033486
"387830"	1001.462758	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+K"	38.963158
"753085"	1482.712558	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+K"	38.963158
"1553798"	520.212958	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+K"	38.963158
"313039"	501.235017	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+H+K"	39.970434
"701932"	741.859917	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+H+K"	39.970434
"1456846"	260.610117	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H+K"	39.970434
"241073"	1004.533426	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+ACN+H"	42.033826
"1213783"	523.283626	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+ACN+H"	42.033826
"1202039"	262.145451	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+ACN+2H"	43.041102
"201475"	1007.47076	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+2Na-H"	44.97116
"634473"	1488.72056	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+2Na-H"	44.97116
"1132386"	526.22096	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2Na-H"	44.97116
"187114"	504.239018	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+2Na"	45.978436
"627887"	744.863918	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+2Na"	45.978436
"1130543"	263.614118	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2Na"	45.978436
"1413580"	176.078504	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H+2Na"	46.985712
"1443866"	528.262546	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H+HCOOH"	47.012746
"232227"	509.27204	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+3H2O+2H"	56.04448
"1515553"	542.31459	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+IsoProp+H"	61.06479
"414509"	512.225988	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+Na+K"	61.952376
"781708"	752.850888	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+Na+K"	61.952376
"1676946"	271.601088	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Na+K"	61.952376
"266030"	1026.515368	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+ACN+Na"	64.015768
"1239470"	545.265568	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+ACN+Na"	64.015768
"1727134"	545.289093	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+NH4+HCOOH"	64.039293
"1191883"	183.405818	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+3Na"	68.967654
"1663839"	550.244488	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Na+HCOOH"	68.994688
"171792"	1039.41864	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+2K-H"	76.91904
"605642"	1520.66844	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+2K-H"	76.91904
"1098788"	558.16884	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2K-H"	76.91904
"151345"	520.212958	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"2M+2K"	77.926316
"584343"	760.837858	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"3M+2K"	77.926316
"1076510"	279.588058	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2K"	77.926316
"1105346"	560.183392	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2K+H"	78.933592
"1341731"	560.271007	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+DMSO+H"	79.021207
"1015730"	564.310176	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2ACN+H"	83.060376
"1532761"	565.303808	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+IsoProp+Na+H"	84.054008
"998117"	282.658726	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+2ACN+2H"	84.067652
"1592620"	566.218428	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+K+HCOOH"	84.968628
"1428123"	596.249938	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+H+CF3COOH"	115.000138
"1157317"	303.172001	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+3ACN+2H"	125.094202
"1702493"	613.276485	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+NH4+CF3COOH"	132.026685
"1642518"	618.23188	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+Na+CF3COOH"	136.98208
"1583636"	634.20582	"C11361"	"N-Acetylleukotriene E4"	"C25H39NO6S"	"481.2498"	"M+K+CF3COOH"	152.95602
"812908"	628.3373	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M"	0
"980972"	609.31891	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-H2O-H"	-19.01839
"72495"	417.884257333333	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M-3H"	-3.021828
"513148"	627.330024	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M-3H"	-3.021828
"885482"	208.438490666667	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-3H"	-3.021828
"4056"	627.330024	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M-2H"	-2.014552
"440939"	941.498674	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M-2H"	-2.014552
"818375"	313.161374	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-2H"	-2.014552
"80314"	1255.667324	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M-H"	-1.007276
"519143"	1884.004624	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M-H"	-1.007276
"899505"	627.330024	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-H"	-1.007276
"49505"	1272.693871	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M-2H+NH4"	16.019271
"488457"	1901.031171	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M-2H+NH4"	16.019271
"865038"	644.356571	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-2H+NH4"	16.019271
"31969"	1277.649266	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M-2H+Na"	20.974666
"472133"	1905.986566	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M-2H+Na"	20.974666
"856877"	649.311966	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-2H+Na"	20.974666
"1633352"	649.311966	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Na-2H"	20.974666
"109268"	645.318363	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M-H+Cl"	33.962126
"548226"	959.487013	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M-H+Cl"	33.962126
"940770"	331.149713	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-H+Cl"	33.962126
"281634"	1291.644002	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+Cl"	34.969402
"672466"	1919.981302	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+Cl"	34.969402
"1287424"	663.306702	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Cl"	34.969402
"29492"	1293.623206	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M-2H+K"	36.948606
"468809"	1921.960506	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M-2H+K"	36.948606
"844786"	665.285906	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-2H+K"	36.948606
"1568644"	665.285906	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+K-2H"	36.948606
"953973"	673.335494	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-H+HCOOH"	44.998194
"372190"	1301.672801	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+HCOOH-H"	44.998201
"356072"	1315.688451	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+Hac-H"	59.013851
"1501628"	687.351151	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Hac-H"	59.013851
"965886"	695.317451	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-H+NaCOOH"	66.980151
"121359"	663.306702	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+2Cl"	69.938804
"560917"	977.475352	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+2Cl"	69.938804
"1031908"	349.138052	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2Cl"	69.938804
"1246015"	707.256185	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Br"	78.918885
"1310650"	709.312172	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Cl+HCOOH"	80.974872
"1327053"	731.294129	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Cl+NaCOOH"	102.956829
"918111"	741.322886	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M-H+CF3COOH"	112.985586
"1293736"	777.299564	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Cl+CF3COOH"	148.962264
"1367276"	593.324624	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H-2H2O"	-35.012676
"1386110"	611.3346	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H-H2O"	-17.0027
"293449"	1257.681876	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+H"	1.007276
"679314"	1886.019176	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+H"	1.007276
"1357850"	629.344576	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H"	1.007276
"130739"	629.344576	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+2H"	2.014552
"566654"	943.513226	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+2H"	2.014552
"1039100"	315.175926	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2H"	2.014552
"205417"	419.898809333333	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+3H"	3.021828
"651302"	629.344576	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+3H"	3.021828
"1165418"	210.453042666667	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+3H"	3.021828
"426138"	1274.708423	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+NH4"	18.033823
"786403"	1903.045723	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+NH4"	18.033823
"1683828"	646.371123	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+NH4"	18.033823
"331740"	637.8578495	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+H+NH4"	19.041099
"725986"	952.0264995	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+H+NH4"	19.041099
"1485284"	323.6891995	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H+NH4"	19.041099
"399588"	1279.663818	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+Na"	22.989218
"758394"	1908.001118	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+Na"	22.989218
"1604303"	651.326518	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Na"	22.989218
"318716"	640.335547	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+H+Na"	23.996494
"715513"	954.504197	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+H+Na"	23.996494
"1475547"	326.166897	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H+Na"	23.996494
"1067692"	217.780356666667	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2H+Na"	25.00377
"1265355"	661.370786	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+CH3OH+H"	33.033486
"386483"	1295.637758	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+K"	38.963158
"752225"	1923.975058	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+K"	38.963158
"1553186"	667.300458	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+K"	38.963158
"313634"	648.322517	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+H+K"	39.970434
"702771"	962.491167	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+H+K"	39.970434
"1456956"	334.153867	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H+K"	39.970434
"242276"	1298.708426	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+ACN+H"	42.033826
"1214986"	670.371126	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+ACN+H"	42.033826
"1202149"	335.689201	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+ACN+2H"	43.041102
"200492"	1301.64576	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+2Na-H"	44.97116
"634583"	1929.98306	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+2Na-H"	44.97116
"1132983"	673.30846	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2Na-H"	44.97116
"187465"	651.326518	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+2Na"	45.978436
"628120"	965.495168	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+2Na"	45.978436
"1130044"	337.157868	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2Na"	45.978436
"1413689"	225.107670666667	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H+2Na"	46.985712
"1443855"	675.350046	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H+HCOOH"	47.012746
"233065"	656.35954	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+3H2O+2H"	56.04448
"1511650"	689.40209	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+IsoProp+H"	61.06479
"413889"	659.313488	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+Na+K"	61.952376
"780725"	973.482138	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+Na+K"	61.952376
"1674870"	345.144838	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Na+K"	61.952376
"263585"	1320.690368	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+ACN+Na"	64.015768
"1238115"	692.353068	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+ACN+Na"	64.015768
"1725908"	692.376593	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+NH4+HCOOH"	64.039293
"1193086"	232.434984666667	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+3Na"	68.967654
"1663343"	697.331988	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Na+HCOOH"	68.994688
"170201"	1333.59364	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+2K-H"	76.91904
"607939"	1961.93094	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+2K-H"	76.91904
"1096464"	705.25634	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2K-H"	76.91904
"148175"	667.300458	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"2M+2K"	77.926316
"586640"	981.469108	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"3M+2K"	77.926316
"1070060"	353.131808	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2K"	77.926316
"1100593"	707.270892	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2K+H"	78.933592
"1341841"	707.358507	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+DMSO+H"	79.021207
"1013652"	711.397676	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2ACN+H"	83.060376
"1527403"	712.391308	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+IsoProp+Na+H"	84.054008
"998227"	356.202476	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+2ACN+2H"	84.067652
"1593823"	713.305928	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+K+HCOOH"	84.968628
"1426046"	743.337438	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+H+CF3COOH"	115.000138
"1157427"	376.715751	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+3ACN+2H"	125.094202
"1709165"	760.363985	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+NH4+CF3COOH"	132.026685
"1642628"	765.31938	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+Na+CF3COOH"	136.98208
"1583746"	781.29332	"C11362"	"BQ 485;Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp"	"C35H44N6O5"	"628.3373"	"M+K+CF3COOH"	152.95602
"813018"	789.6449	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M"	0
"981082"	770.62651	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-H2O-H"	-19.01839
"71512"	525.422657333333	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M-3H"	-3.021828
"512165"	788.637624	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M-3H"	-3.021828
"886685"	262.207690666667	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-3H"	-3.021828
"3073"	788.637624	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M-2H"	-2.014552
"442627"	1183.460074	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M-2H"	-2.014552
"819699"	393.815174	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-2H"	-2.014552
"81149"	1578.282524	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M-H"	-1.007276
"520592"	2367.927424	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M-H"	-1.007276
"899980"	788.637624	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-H"	-1.007276
"49372"	1595.309071	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M-2H+NH4"	16.019271
"490633"	2384.953971	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M-2H+NH4"	16.019271
"864906"	805.664171	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-2H+NH4"	16.019271
"31753"	1600.264466	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M-2H+Na"	20.974666
"472733"	2389.909366	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M-2H+Na"	20.974666
"855893"	810.619566	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-2H+Na"	20.974666
"1633948"	810.619566	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Na-2H"	20.974666
"109917"	806.625963	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M-H+Cl"	33.962126
"548822"	1201.448413	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M-H+Cl"	33.962126
"942093"	411.803513	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-H+Cl"	33.962126
"282227"	1614.259202	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+Cl"	34.969402
"675209"	2403.904102	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+Cl"	34.969402
"1288101"	824.614302	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Cl"	34.969402
"30331"	1616.238406	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M-2H+K"	36.948606
"470661"	2405.883306	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M-2H+K"	36.948606
"845625"	826.593506	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-2H+K"	36.948606
"1566200"	826.593506	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+K-2H"	36.948606
"955176"	834.643094	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-H+HCOOH"	44.998194
"369020"	1624.288001	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+HCOOH-H"	44.998201
"356182"	1638.303651	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+Hac-H"	59.013851
"1503919"	848.658751	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Hac-H"	59.013851
"967089"	856.625051	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-H+NaCOOH"	66.980151
"119281"	824.614302	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+2Cl"	69.938804
"557747"	1219.436752	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+2Cl"	69.938804
"1032017"	429.791852	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2Cl"	69.938804
"1246125"	868.563785	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Br"	78.918885
"1309666"	870.619772	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Cl+HCOOH"	80.974872
"1328256"	892.601729	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Cl+NaCOOH"	102.956829
"916034"	902.630486	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M-H+CF3COOH"	112.985586
"1297125"	938.607164	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Cl+CF3COOH"	148.962264
"1367872"	754.632224	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H-2H2O"	-35.012676
"1386220"	772.6422	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H-H2O"	-17.0027
"293559"	1580.297076	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+H"	1.007276
"680517"	2369.941976	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+H"	1.007276
"1354314"	790.652176	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H"	1.007276
"130849"	790.652176	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+2H"	2.014552
"570046"	1185.474626	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+2H"	2.014552
"1041396"	395.829726	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2H"	2.014552
"205650"	527.437209333333	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+3H"	3.021828
"649588"	790.652176	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+3H"	3.021828
"1166258"	264.222242666667	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+3H"	3.021828
"428436"	1597.323623	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+NH4"	18.033823
"789065"	2386.968523	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+NH4"	18.033823
"1685760"	807.678723	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+NH4"	18.033823
"333309"	799.1654495	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+H+NH4"	19.041099
"726460"	1193.9878995	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+H+NH4"	19.041099
"1485394"	404.3429995	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H+NH4"	19.041099
"400792"	1602.279018	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+Na"	22.989218
"758504"	2391.923918	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+Na"	22.989218
"1602950"	812.634118	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Na"	22.989218
"314567"	801.643147	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+H+Na"	23.996494
"714530"	1196.465597	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+H+Na"	23.996494
"1476262"	406.820697	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H+Na"	23.996494
"1067560"	271.549556666667	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2H+Na"	25.00377
"1268384"	822.678386	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+CH3OH+H"	33.033486
"388779"	1618.252958	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+K"	38.963158
"754146"	2407.897858	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+K"	38.963158
"1555451"	828.608058	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+K"	38.963158
"311555"	809.630117	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+H+K"	39.970434
"702517"	1204.452567	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+H+K"	39.970434
"1457066"	414.807667	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H+K"	39.970434
"241293"	1621.323626	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+ACN+H"	42.033826
"1216190"	831.678726	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+ACN+H"	42.033826
"1201166"	416.343001	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+ACN+2H"	43.041102
"200602"	1624.26096	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+2Na-H"	44.97116
"634693"	2413.90586	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+2Na-H"	44.97116
"1133092"	834.61606	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2Na-H"	44.97116
"187944"	812.634118	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+2Na"	45.978436
"627860"	1207.456568	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+2Na"	45.978436
"1130964"	417.811668	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2Na"	45.978436
"1414004"	278.876870666667	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H+2Na"	46.985712
"1443843"	836.657646	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H+HCOOH"	47.012746
"232810"	817.66714	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+3H2O+2H"	56.04448
"1513582"	850.70969	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+IsoProp+H"	61.06479
"414364"	820.621088	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+Na+K"	61.952376
"780834"	1215.443538	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+Na+K"	61.952376
"1672793"	425.798638	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Na+K"	61.952376
"265881"	1643.305568	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+ACN+Na"	64.015768
"1238589"	853.660668	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+ACN+Na"	64.015768
"1726019"	853.684193	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+NH4+HCOOH"	64.039293
"1193560"	286.204184666667	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+3Na"	68.967654
"1662724"	858.639588	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Na+HCOOH"	68.994688
"171162"	1656.20884	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+2K-H"	76.91904
"608049"	2445.85374	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+2K-H"	76.91904
"1096935"	866.56394	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2K-H"	76.91904
"151563"	828.608058	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"2M+2K"	77.926316
"586750"	1223.430508	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"3M+2K"	77.926316
"1071263"	433.785608	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2K"	77.926316
"1100582"	868.578492	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2K+H"	78.933592
"1338671"	868.666107	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+DMSO+H"	79.021207
"1012669"	872.705276	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2ACN+H"	83.060376
"1527513"	873.698908	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+IsoProp+Na+H"	84.054008
"998337"	436.856276	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+2ACN+2H"	84.067652
"1592840"	874.613528	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+K+HCOOH"	84.968628
"1425063"	904.645038	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+H+CF3COOH"	115.000138
"1157537"	457.369551	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+3ACN+2H"	125.094202
"1709275"	921.671585	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+NH4+CF3COOH"	132.026685
"1642738"	926.62698	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+Na+CF3COOH"	136.98208
"1583856"	942.60092	"C11363"	"Sulfobromophthalein"	"C20H10Br4O10S2"	"789.6449"	"M+K+CF3COOH"	152.95602
"816763"	603.2819	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M"	0
"983380"	584.26351	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-H2O-H"	-19.01839
"74902"	401.180657333333	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M-3H"	-3.021828
"514099"	602.274624	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M-3H"	-3.021828
"890077"	200.086690666667	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-3H"	-3.021828
"5369"	602.274624	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M-2H"	-2.014552
"443837"	903.915574	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M-2H"	-2.014552
"819083"	300.633674	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-2H"	-2.014552
"82718"	1205.556524	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M-H"	-1.007276
"520094"	1808.838424	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M-H"	-1.007276
"899725"	602.274624	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-H"	-1.007276
"51549"	1222.583071	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M-2H+NH4"	16.019271
"491837"	1825.864971	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M-2H+NH4"	16.019271
"864329"	619.301171	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-2H+NH4"	16.019271
"31700"	1227.538466	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M-2H+Na"	20.974666
"472358"	1830.820366	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M-2H+Na"	20.974666
"859284"	624.256566	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-2H+Na"	20.974666
"1634075"	624.256566	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Na-2H"	20.974666
"109991"	620.262963	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M-H+Cl"	33.962126
"549620"	921.903913	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M-H+Cl"	33.962126
"942080"	318.622013	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-H+Cl"	33.962126
"282542"	1241.533202	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+Cl"	34.969402
"675118"	1844.815102	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+Cl"	34.969402
"1288385"	638.251302	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Cl"	34.969402
"31178"	1243.512406	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M-2H+K"	36.948606
"469030"	1846.794306	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M-2H+K"	36.948606
"845738"	640.230506	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-2H+K"	36.948606
"1569594"	640.230506	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+K-2H"	36.948606
"954193"	648.280094	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-H+HCOOH"	44.998194
"371320"	1251.562001	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+HCOOH-H"	44.998201
"355202"	1265.577651	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+Hac-H"	59.013851
"1504031"	662.295751	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Hac-H"	59.013851
"969388"	670.262051	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-H+NaCOOH"	66.980151
"121579"	638.251302	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+2Cl"	69.938804
"560045"	939.892252	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+2Cl"	69.938804
"1033221"	336.610352	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2Cl"	69.938804
"1249516"	682.200785	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Br"	78.918885
"1311963"	684.256772	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Cl+HCOOH"	80.974872
"1327273"	706.238729	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Cl+NaCOOH"	102.956829
"923798"	716.267486	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M-H+CF3COOH"	112.985586
"1299420"	752.244164	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Cl+CF3COOH"	148.962264
"1370292"	568.269224	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H-2H2O"	-35.012676
"1391798"	586.2792	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H-H2O"	-17.0027
"290391"	1207.571076	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+H"	1.007276
"683908"	1810.852976	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+H"	1.007276
"1354059"	604.289176	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H"	1.007276
"136426"	604.289176	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+2H"	2.014552
"572707"	905.930126	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+2H"	2.014552
"1043693"	302.648226	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2H"	2.014552
"206127"	403.195209333333	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+3H"	3.021828
"649336"	604.289176	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+3H"	3.021828
"1164545"	202.101242666667	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+3H"	3.021828
"428547"	1224.597623	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+NH4"	18.033823
"787352"	1827.879523	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+NH4"	18.033823
"1684049"	621.315723	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+NH4"	18.033823
"331233"	612.8024495	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+H+NH4"	19.041099
"724019"	914.4433995	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+H+NH4"	19.041099
"1490972"	311.1614995	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H+NH4"	19.041099
"404184"	1229.553018	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+Na"	22.989218
"762990"	1832.834918	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+Na"	22.989218
"1606712"	626.271118	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Na"	22.989218
"316748"	615.280147	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+H+Na"	23.996494
"713547"	916.921097	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+H+Na"	23.996494
"1476997"	313.639197	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H+Na"	23.996494
"1066816"	209.428556666667	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2H+Na"	25.00377
"1269952"	636.315386	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+CH3OH+H"	33.033486
"386336"	1245.526958	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+K"	38.963158
"754218"	1848.808858	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+K"	38.963158
"1555585"	642.245058	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+K"	38.963158
"314104"	623.267117	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+H+K"	39.970434
"704814"	924.908067	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+H+K"	39.970434
"1459730"	321.626167	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H+K"	39.970434
"246144"	1248.597626	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+ACN+H"	42.033826
"1217394"	645.315726	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+ACN+H"	42.033826
"1203463"	323.161501	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+ACN+2H"	43.041102
"200348"	1251.53496	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+2Na-H"	44.97116
"636991"	1854.81686	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+2Na-H"	44.97116
"1133931"	648.25306	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2Na-H"	44.97116
"187692"	626.271118	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+2Na"	45.978436
"628441"	927.912068	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+2Na"	45.978436
"1131082"	324.630168	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2Na"	45.978436
"1413997"	216.755870666667	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H+2Na"	46.985712
"1445527"	650.294646	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H+HCOOH"	47.012746
"232922"	631.30414	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+3H2O+2H"	56.04448
"1512600"	664.34669	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+IsoProp+H"	61.06479
"413745"	634.258088	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+Na+K"	61.952376
"782039"	935.899038	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+Na+K"	61.952376
"1676182"	332.617138	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Na+K"	61.952376
"266724"	1270.579568	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+ACN+Na"	64.015768
"1239429"	667.297668	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+ACN+Na"	64.015768
"1727588"	667.321193	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+NH4+HCOOH"	64.039293
"1193069"	224.083184666667	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+3Na"	68.967654
"1664776"	672.276588	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Na+HCOOH"	68.994688
"171758"	1283.48284	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+2K-H"	76.91904
"612414"	1886.76474	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+2K-H"	76.91904
"1098990"	680.20094	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2K-H"	76.91904
"153861"	642.245058	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"2M+2K"	77.926316
"592326"	943.886008	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"3M+2K"	77.926316
"1079027"	340.604108	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2K"	77.926316
"1105676"	682.215492	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2K+H"	78.933592
"1342060"	682.303107	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+DMSO+H"	79.021207
"1018247"	686.342276	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2ACN+H"	83.060376
"1531998"	687.335908	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+IsoProp+Na+H"	84.054008
"1003794"	343.674776	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+2ACN+2H"	84.067652
"1596230"	688.250528	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+K+HCOOH"	84.968628
"1426265"	718.282038	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+H+CF3COOH"	115.000138
"1160928"	364.188051	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+3ACN+2H"	125.094202
"1708292"	735.308585	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+NH4+CF3COOH"	132.026685
"1642848"	740.26398	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+Na+CF3COOH"	136.98208
"1583966"	756.23792	"C11365"	"Irinotecan carboxylate;CPT-11 carboxylate form"	"C33H39N4O7"	"603.2819"	"M+K+CF3COOH"	152.95602
"809958"	409.14	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M"	0
"982396"	390.12161	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-H2O-H"	-19.01839
"75012"	271.752724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M-3H"	-3.021828
"512385"	408.132724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M-3H"	-3.021828
"885812"	135.372724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-3H"	-3.021828
"2199"	408.132724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M-2H"	-2.014552
"440299"	612.702724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M-2H"	-2.014552
"821377"	203.562724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-2H"	-2.014552
"81005"	817.272724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M-H"	-1.007276
"518988"	1226.412724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M-H"	-1.007276
"899107"	408.132724	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-H"	-1.007276
"51295"	834.299271	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M-2H+NH4"	16.019271
"488667"	1243.439271	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M-2H+NH4"	16.019271
"865494"	425.159271	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-2H+NH4"	16.019271
"32056"	839.254666	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M-2H+Na"	20.974666
"471520"	1248.394666	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M-2H+Na"	20.974666
"848933"	430.114666	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-2H+Na"	20.974666
"1633925"	430.114666	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Na-2H"	20.974666
"108746"	426.121063	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M-H+Cl"	33.962126
"549036"	630.691063	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M-H+Cl"	33.962126
"942554"	221.551063	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-H+Cl"	33.962126
"282669"	853.249402	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+Cl"	34.969402
"673526"	1262.389402	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+Cl"	34.969402
"1285930"	444.109402	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Cl"	34.969402
"29820"	855.228606	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M-2H+K"	36.948606
"469140"	1264.368606	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M-2H+K"	36.948606
"845115"	446.088606	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-2H+K"	36.948606
"1569340"	446.088606	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+K-2H"	36.948606
"953210"	454.138194	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-H+HCOOH"	44.998194
"373253"	863.278201	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+HCOOH-H"	44.998201
"355312"	877.293851	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+Hac-H"	59.013851
"1504506"	468.153851	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Hac-H"	59.013851
"967312"	476.120151	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-H+NaCOOH"	66.980151
"121689"	444.109402	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+2Cl"	69.938804
"560155"	648.679402	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+2Cl"	69.938804
"1034423"	239.539402	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2Cl"	69.938804
"1246346"	488.058885	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Br"	78.918885
"1314260"	490.114872	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Cl+HCOOH"	80.974872
"1328477"	512.096829	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Cl+NaCOOH"	102.956829
"923908"	522.125586	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M-H+CF3COOH"	112.985586
"1298437"	558.102264	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Cl+CF3COOH"	148.962264
"1370038"	374.127324	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H-2H2O"	-35.012676
"1388627"	392.1373	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H-H2O"	-17.0027
"289406"	819.287276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+H"	1.007276
"680738"	1228.427276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+H"	1.007276
"1353441"	410.147276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H"	1.007276
"134349"	410.147276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+2H"	2.014552
"567348"	614.717276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+2H"	2.014552
"1039064"	205.577276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2H"	2.014552
"206237"	273.767276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+3H"	3.021828
"649082"	410.147276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+3H"	3.021828
"1170490"	137.387276	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+3H"	3.021828
"430481"	836.313823	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+NH4"	18.033823
"787099"	1245.453823	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+NH4"	18.033823
"1683065"	427.173823	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+NH4"	18.033823
"330614"	418.6605495	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+H+NH4"	19.041099
"724127"	623.2305495	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+H+NH4"	19.041099
"1487801"	214.0905495	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H+NH4"	19.041099
"403930"	841.269218	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+Na"	22.989218
"764193"	1250.409218	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+Na"	22.989218
"1606822"	432.129218	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Na"	22.989218
"316858"	421.138247	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+H+Na"	23.996494
"714750"	625.708247	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+H+Na"	23.996494
"1476985"	216.568247	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H+Na"	23.996494
"1066926"	144.71459	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2H+Na"	25.00377
"1270426"	442.173486	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+CH3OH+H"	33.033486
"386082"	857.243158	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+K"	38.963158
"753728"	1266.383158	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+K"	38.963158
"1554236"	448.103158	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+K"	38.963158
"312139"	429.125217	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+H+K"	39.970434
"701279"	633.695217	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+H+K"	39.970434
"1456922"	224.555217	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H+K"	39.970434
"245889"	860.313826	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+ACN+H"	42.033826
"1219691"	451.173826	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+ACN+H"	42.033826
"1202480"	226.090551	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+ACN+2H"	43.041102
"200458"	863.25116	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+2Na-H"	44.97116
"637101"	1272.39116	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+2Na-H"	44.97116
"1132219"	454.11116	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2Na-H"	44.97116
"188535"	432.129218	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+2Na"	45.978436
"628472"	636.699218	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+2Na"	45.978436
"1131146"	227.559218	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2Na"	45.978436
"1413981"	152.041904	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H+2Na"	46.985712
"1445476"	456.152746	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H+HCOOH"	47.012746
"233032"	437.16224	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+3H2O+2H"	56.04448
"1513803"	470.20479	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+IsoProp+H"	61.06479
"412034"	440.116188	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+Na+K"	61.952376
"782149"	644.686188	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+Na+K"	61.952376
"1679571"	235.546188	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Na+K"	61.952376
"266920"	882.295768	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+ACN+Na"	64.015768
"1241251"	473.155768	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+ACN+Na"	64.015768
"1728197"	473.179293	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+NH4+HCOOH"	64.039293
"1194075"	159.369218	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+3Na"	68.967654
"1664885"	478.134688	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Na+HCOOH"	68.994688
"172559"	895.19904	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+2K-H"	76.91904
"612737"	1304.33904	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+2K-H"	76.91904
"1099709"	486.05904	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2K-H"	76.91904
"153971"	448.103158	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"2M+2K"	77.926316
"592436"	652.673158	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"3M+2K"	77.926316
"1079137"	243.533158	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2K"	77.926316
"1105786"	488.073592	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2K+H"	78.933592
"1339254"	488.161207	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+DMSO+H"	79.021207
"1010700"	492.200376	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2ACN+H"	83.060376
"1531015"	493.194008	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+IsoProp+Na+H"	84.054008
"1001838"	246.603826	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+2ACN+2H"	84.067652
"1593060"	494.108628	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+K+HCOOH"	84.968628
"1428199"	524.140138	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+H+CF3COOH"	115.000138
"1160674"	267.117101	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+3ACN+2H"	125.094202
"1708401"	541.166685	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+NH4+CF3COOH"	132.026685
"1642958"	546.12208	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+Na+CF3COOH"	136.98208
"1584076"	562.09602	"C11366"	"SN-38 carboxylate form"	"C22H21N2O6"	"409.14"	"M+K+CF3COOH"	152.95602
"811161"	643.3139	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M"	0
"982505"	624.29551	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-H2O-H"	-19.01839
"72935"	427.868657333333	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M-3H"	-3.021828
"512494"	642.306624	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M-3H"	-3.021828
"888108"	213.430690666667	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-3H"	-3.021828
"1215"	642.306624	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M-2H"	-2.014552
"441258"	963.963574	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M-2H"	-2.014552
"819665"	320.649674	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-2H"	-2.014552
"79168"	1285.620524	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M-H"	-1.007276
"519581"	1928.934424	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M-H"	-1.007276
"899216"	642.306624	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-H"	-1.007276
"47757"	1302.647071	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M-2H+NH4"	16.019271
"487551"	1945.960971	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M-2H+NH4"	16.019271
"865604"	659.333171	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-2H+NH4"	16.019271
"32038"	1307.602466	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M-2H+Na"	20.974666
"472213"	1950.916366	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M-2H+Na"	20.974666
"848797"	664.288566	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-2H+Na"	20.974666
"1618819"	664.288566	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Na-2H"	20.974666
"109463"	660.294963	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M-H+Cl"	33.962126
"548415"	981.951913	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M-H+Cl"	33.962126
"941444"	338.638013	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-H+Cl"	33.962126
"281823"	1321.597202	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+Cl"	34.969402
"673879"	1964.911102	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+Cl"	34.969402
"1287012"	678.283302	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Cl"	34.969402
"28956"	1323.576406	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M-2H+K"	36.948606
"470466"	1966.890306	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M-2H+K"	36.948606
"846684"	680.262506	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-2H+K"	36.948606
"1569813"	680.262506	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+K-2H"	36.948606
"957572"	688.312094	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-H+HCOOH"	44.998194
"371541"	1331.626001	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+HCOOH-H"	44.998201
"356515"	1345.641651	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+Hac-H"	59.013851
"1505344"	702.327751	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Hac-H"	59.013851
"969603"	710.294051	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-H+NaCOOH"	66.980151
"120704"	678.283302	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+2Cl"	69.938804
"560265"	999.940252	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+2Cl"	69.938804
"1034169"	356.626352	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2Cl"	69.938804
"1246456"	722.232785	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Br"	78.918885
"1316556"	724.288772	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Cl+HCOOH"	80.974872
"1329680"	746.270729	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Cl+NaCOOH"	102.956829
"921831"	756.299486	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M-H+CF3COOH"	112.985586
"1298547"	792.276164	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Cl+CF3COOH"	148.962264
"1370148"	608.301224	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H-2H2O"	-35.012676
"1392017"	626.3112	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H-H2O"	-17.0027
"292796"	1287.635076	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+H"	1.007276
"680848"	1930.948976	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+H"	1.007276
"1356103"	644.321176	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H"	1.007276
"134459"	644.321176	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+2H"	2.014552
"568187"	965.978126	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+2H"	2.014552
"1043912"	322.664226	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2H"	2.014552
"204890"	429.883209333333	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+3H"	3.021828
"649192"	644.321176	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+3H"	3.021828
"1172787"	215.445242666667	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+3H"	3.021828
"428768"	1304.661623	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+NH4"	18.033823
"788302"	1947.975523	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+NH4"	18.033823
"1685726"	661.347723	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+NH4"	18.033823
"332909"	652.8344495	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+H+NH4"	19.041099
"726422"	974.4913995	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+H+NH4"	19.041099
"1487547"	331.1774995	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H+NH4"	19.041099
"404404"	1309.617018	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+Na"	22.989218
"762116"	1952.930918	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+Na"	22.989218
"1605839"	666.303118	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Na"	22.989218
"318061"	655.312147	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+H+Na"	23.996494
"715953"	976.969097	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+H+Na"	23.996494
"1476349"	333.655197	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H+Na"	23.996494
"1067036"	222.772556666667	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2H+Na"	25.00377
"1269807"	676.347386	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+CH3OH+H"	33.033486
"388014"	1325.590958	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+K"	38.963158
"753391"	1968.904858	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+K"	38.963158
"1554225"	682.277058	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+K"	38.963158
"306051"	663.299117	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+H+K"	39.970434
"701387"	984.956067	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+H+K"	39.970434
"1457761"	341.642167	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H+K"	39.970434
"247821"	1328.661626	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+ACN+H"	42.033826
"1222717"	685.347726	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+ACN+H"	42.033826
"1202588"	343.177501	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+ACN+2H"	43.041102
"195458"	1331.59896	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+2Na-H"	44.97116
"638304"	1974.91286	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+2Na-H"	44.97116
"1133058"	688.28506	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2Na-H"	44.97116
"188028"	666.303118	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+2Na"	45.978436
"628316"	987.960068	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+2Na"	45.978436
"1130001"	344.646168	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2Na"	45.978436
"1412792"	230.099870666667	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H+2Na"	46.985712
"1444178"	690.326646	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H+HCOOH"	47.012746
"231687"	671.33614	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+3H2O+2H"	56.04448
"1512091"	704.37869	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+IsoProp+H"	61.06479
"411050"	674.290088	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+Na+K"	61.952376
"782260"	995.947038	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+Na+K"	61.952376
"1677496"	352.633138	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Na+K"	61.952376
"267019"	1350.643568	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+ACN+Na"	64.015768
"1241109"	707.329668	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+ACN+Na"	64.015768
"1728401"	707.353193	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+NH4+HCOOH"	64.039293
"1193614"	237.427184666667	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+3Na"	68.967654
"1665465"	712.308588	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Na+HCOOH"	68.994688
"171856"	1363.54684	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+2K-H"	76.91904
"612797"	2006.86074	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+2K-H"	76.91904
"1099877"	720.23294	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2K-H"	76.91904
"152987"	682.277058	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"2M+2K"	77.926316
"591454"	1003.934008	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"3M+2K"	77.926316
"1075967"	360.620108	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2K"	77.926316
"1104803"	722.247492	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2K+H"	78.933592
"1337541"	722.335107	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+DMSO+H"	79.021207
"1012997"	726.374276	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2ACN+H"	83.060376
"1533312"	727.367908	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+IsoProp+Na+H"	84.054008
"1001948"	363.690776	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+2ACN+2H"	84.067652
"1592077"	728.282528	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+K+HCOOH"	84.968628
"1429693"	758.314038	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+H+CF3COOH"	115.000138
"1160055"	384.204051	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+3ACN+2H"	125.094202
"1707418"	775.340585	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+NH4+CF3COOH"	132.026685
"1643068"	780.29598	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+Na+CF3COOH"	136.98208
"1584186"	796.26992	"C11367"	"GSH-prostaglandin A1;Glutathione-prostaglandin A1 conjugate;PGA1-GS"	"C30H49N3O10S"	"643.3139"	"M+K+CF3COOH"	152.95602
"810178"	359.1645	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M"	0
"979336"	340.14611	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-H2O-H"	-19.01839
"71952"	238.435724	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M-3H"	-3.021828
"510418"	358.157224	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M-3H"	-3.021828
"883845"	118.714224	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-3H"	-3.021828
"1931"	358.157224	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M-2H"	-2.014552
"440639"	537.739474	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M-2H"	-2.014552
"819411"	178.574974	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-2H"	-2.014552
"79033"	717.321724	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M-H"	-1.007276
"518962"	1076.486224	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M-H"	-1.007276
"901513"	358.157224	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-H"	-1.007276
"50420"	734.348271	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M-2H+NH4"	16.019271
"488760"	1093.512771	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M-2H+NH4"	16.019271
"865345"	375.183771	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-2H+NH4"	16.019271
"33496"	739.303666	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M-2H+Na"	20.974666
"473050"	1098.468166	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M-2H+Na"	20.974666
"853043"	380.139166	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-2H+Na"	20.974666
"1619414"	380.139166	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Na-2H"	20.974666
"104587"	376.145563	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M-H+Cl"	33.962126
"547431"	555.727813	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M-H+Cl"	33.962126
"938757"	196.563313	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-H+Cl"	33.962126
"280228"	753.298402	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+Cl"	34.969402
"673017"	1112.462902	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+Cl"	34.969402
"1287240"	394.133902	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Cl"	34.969402
"25785"	755.277606	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M-2H+K"	36.948606
"468627"	1114.442106	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M-2H+K"	36.948606
"840961"	396.113106	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-2H+K"	36.948606
"1568830"	396.113106	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+K-2H"	36.948606
"957440"	404.162694	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-H+HCOOH"	44.998194
"369463"	763.327201	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+HCOOH-H"	44.998201
"355532"	777.342851	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+Hac-H"	59.013851
"1507157"	418.178351	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Hac-H"	59.013851
"969713"	426.144651	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-H+NaCOOH"	66.980151
"118627"	394.133902	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+2Cl"	69.938804
"559282"	573.716152	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+2Cl"	69.938804
"1031363"	214.551652	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2Cl"	69.938804
"1246566"	438.083385	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Br"	78.918885
"1313386"	440.139372	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Cl+HCOOH"	80.974872
"1329789"	462.121329	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Cl+NaCOOH"	102.956829
"916474"	472.150086	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M-H+CF3COOH"	112.985586
"1295374"	508.126764	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Cl+CF3COOH"	148.962264
"1376816"	324.151824	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H-2H2O"	-35.012676
"1392127"	342.1618	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H-H2O"	-17.0027
"292906"	719.336276	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+H"	1.007276
"682052"	1078.500776	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+H"	1.007276
"1356213"	360.171776	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H"	1.007276
"131289"	360.171776	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+2H"	2.014552
"567203"	539.754026	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+2H"	2.014552
"1040742"	180.589526	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2H"	2.014552
"205721"	240.450276	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+3H"	3.021828
"644795"	360.171776	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+3H"	3.021828
"1164145"	120.728776	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+3H"	3.021828
"429606"	736.362823	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+NH4"	18.033823
"788777"	1095.527323	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+NH4"	18.033823
"1682553"	377.198323	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+NH4"	18.033823
"331680"	368.6850495	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+H+NH4"	19.041099
"723615"	548.2672995	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+H+NH4"	19.041099
"1490572"	189.1027995	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H+NH4"	19.041099
"401231"	741.318218	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+Na"	22.989218
"758944"	1100.482718	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+Na"	22.989218
"1607039"	382.153718	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Na"	22.989218
"318168"	371.162747	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+H+Na"	23.996494
"708155"	550.744997	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+H+Na"	23.996494
"1476459"	191.580497	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H+Na"	23.996494
"1067510"	128.05609	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2H+Na"	25.00377
"1271986"	392.197986	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+CH3OH+H"	33.033486
"387760"	757.292158	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+K"	38.963158
"753994"	1116.456658	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+K"	38.963158
"1554824"	398.127658	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+K"	38.963158
"309077"	379.149717	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+H+K"	39.970434
"700404"	558.731967	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+H+K"	39.970434
"1456411"	199.567467	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H+K"	39.970434
"247567"	760.362826	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+ACN+H"	42.033826
"1222099"	401.198326	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+ACN+H"	42.033826
"1203791"	201.102801	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+ACN+2H"	43.041102
"197755"	763.30016	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+2Na-H"	44.97116
"638414"	1122.46466	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+2Na-H"	44.97116
"1133533"	404.13566	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2Na-H"	44.97116
"187777"	382.153718	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+2Na"	45.978436
"627454"	561.735968	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+2Na"	45.978436
"1130472"	202.571468	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2Na"	45.978436
"1413632"	135.383404	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H+2Na"	46.985712
"1444652"	406.177246	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H+HCOOH"	47.012746
"232890"	387.18674	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+3H2O+2H"	56.04448
"1512200"	420.22929	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+IsoProp+H"	61.06479
"411889"	390.140688	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+Na+K"	61.952376
"782371"	569.722938	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+Na+K"	61.952376
"1677607"	210.558438	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Na+K"	61.952376
"266860"	782.344768	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+ACN+Na"	64.015768
"1240934"	423.180268	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+ACN+Na"	64.015768
"1728127"	423.203793	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+NH4+HCOOH"	64.039293
"1193280"	142.710718	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+3Na"	68.967654
"1665355"	428.159188	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Na+HCOOH"	68.994688
"172576"	795.24804	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+2K-H"	76.91904
"612713"	1154.41254	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+2K-H"	76.91904
"1099322"	436.08354	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2K-H"	76.91904
"153097"	398.127658	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"2M+2K"	77.926316
"592657"	577.709908	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"3M+2K"	77.926316
"1077170"	218.545408	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2K"	77.926316
"1106006"	438.098092	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2K+H"	78.933592
"1337287"	438.185707	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+DMSO+H"	79.021207
"1014200"	442.224876	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2ACN+H"	83.060376
"1532329"	443.218508	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+IsoProp+Na+H"	84.054008
"999871"	221.616076	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+2ACN+2H"	84.067652
"1593280"	444.133128	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+K+HCOOH"	84.968628
"1429641"	474.164638	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+H+CF3COOH"	115.000138
"1160165"	242.129351	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+3ACN+2H"	125.094202
"1707529"	491.191185	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+NH4+CF3COOH"	132.026685
"1643178"	496.14658	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+Na+CF3COOH"	136.98208
"1584296"	512.12052	"C11368"	"Grepafloxacin"	"C19H22FN3O3"	"359.1645"	"M+K+CF3COOH"	152.95602
"811381"	768.1125	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M"	0
"981632"	749.09411	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-H2O-H"	-19.01839
"74248"	511.067724	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M-3H"	-3.021828
"511621"	767.105224	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M-3H"	-3.021828
"886141"	255.030224	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-3H"	-3.021828
"3621"	767.105224	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M-2H"	-2.014552
"440265"	1151.161474	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M-2H"	-2.014552
"817821"	383.048974	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-2H"	-2.014552
"78778"	1535.217724	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M-H"	-1.007276
"518832"	2303.330224	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M-H"	-1.007276
"900530"	767.105224	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-H"	-1.007276
"49437"	1552.244271	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M-2H+NH4"	16.019271
"493369"	2320.356771	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M-2H+NH4"	16.019271
"866795"	784.131771	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-2H+NH4"	16.019271
"32876"	1557.199666	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M-2H+Na"	20.974666
"473165"	2325.312166	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M-2H+Na"	20.974666
"854245"	789.087166	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-2H+Na"	20.974666
"1619406"	789.087166	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Na-2H"	20.974666
"104690"	785.093563	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M-H+Cl"	33.962126
"548269"	1169.149813	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M-H+Cl"	33.962126
"939596"	401.037313	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-H+Cl"	33.962126
"281431"	1571.194402	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+Cl"	34.969402
"668750"	2339.306902	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+Cl"	34.969402
"1286620"	803.081902	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Cl"	34.969402
"22613"	1573.173606	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M-2H+K"	36.948606
"465453"	2341.286106	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M-2H+K"	36.948606
"837790"	805.061106	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-2H+K"	36.948606
"1569667"	805.061106	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+K-2H"	36.948606
"957549"	813.110694	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-H+HCOOH"	44.998194
"372852"	1581.223201	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+HCOOH-H"	44.998201
"355639"	1595.238851	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+Hac-H"	59.013851
"1504469"	827.126351	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Hac-H"	59.013851
"964356"	835.092651	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-H+NaCOOH"	66.980151
"119830"	803.081902	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+2Cl"	69.938804
"560482"	1187.138152	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+2Cl"	69.938804
"1029285"	419.025652	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2Cl"	69.938804
"1246675"	847.031385	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Br"	78.918885
"1310216"	849.087372	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Cl+HCOOH"	80.974872
"1326618"	871.069329	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Cl+NaCOOH"	102.956829
"914032"	881.098086	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M-H+CF3COOH"	112.985586
"1300951"	917.074764	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Cl+CF3COOH"	148.962264
"1371458"	733.099824	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H-2H2O"	-35.012676
"1387862"	751.1098	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H-H2O"	-17.0027
"287547"	1537.232276	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+H"	1.007276
"678151"	2305.344776	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+H"	1.007276
"1354136"	769.119776	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H"	1.007276
"128482"	769.119776	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+2H"	2.014552
"568038"	1153.176026	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+2H"	2.014552
"1040482"	385.063526	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2H"	2.014552
"205225"	513.082276	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+3H"	3.021828
"645027"	769.119776	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+3H"	3.021828
"1165711"	257.044776	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+3H"	3.021828
"425332"	1554.258823	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+NH4"	18.033823
"790709"	2322.371323	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+NH4"	18.033823
"1681809"	786.146323	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+NH4"	18.033823
"331301"	777.6330495	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+H+NH4"	19.041099
"726278"	1161.6892995	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+H+NH4"	19.041099
"1491411"	393.5767995	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H+NH4"	19.041099
"403527"	1559.214218	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+Na"	22.989218
"761240"	2327.326718	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+Na"	22.989218
"1603991"	791.101718	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Na"	22.989218
"316092"	780.110747	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+H+Na"	23.996494
"709236"	1164.166997	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+H+Na"	23.996494
"1476322"	396.054497	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H+Na"	23.996494
"1068030"	264.37209	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2H+Na"	25.00377
"1268566"	801.145986	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+CH3OH+H"	33.033486
"387505"	1575.188158	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+K"	38.963158
"754052"	2343.300658	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+K"	38.963158
"1555179"	807.075658	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+K"	38.963158
"309187"	788.097717	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+H+K"	39.970434
"696139"	1172.153967	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+H+K"	39.970434
"1455428"	404.041467	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H+K"	39.970434
"241843"	1578.258826	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+ACN+H"	42.033826
"1218925"	810.146326	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+ACN+H"	42.033826
"1199528"	405.576801	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+ACN+2H"	43.041102
"195678"	1581.19616	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+2Na-H"	44.97116
"634149"	2349.30866	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+2Na-H"	44.97116
"1135462"	813.08366	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2Na-H"	44.97116
"187281"	791.101718	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+2Na"	45.978436
"627073"	1175.157968	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+2Na"	45.978436
"1128391"	407.045468	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2Na"	45.978436
"1413007"	271.699404	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H+2Na"	46.985712
"1444271"	815.125246	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H+HCOOH"	47.012746
"234453"	796.13474	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+3H2O+2H"	56.04448
"1514133"	829.17729	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+IsoProp+H"	61.06479
"413821"	799.088688	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+Na+K"	61.952376
"783211"	1183.144938	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+Na+K"	61.952376
"1677717"	415.032438	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Na+K"	61.952376
"266317"	1600.240768	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+ACN+Na"	64.015768
"1239509"	832.128268	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+ACN+Na"	64.015768
"1727671"	832.151793	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+NH4+HCOOH"	64.039293
"1193632"	279.026718	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+3Na"	68.967654
"1664983"	837.107188	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Na+HCOOH"	68.994688
"172817"	1613.14404	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+2K-H"	76.91904
"612499"	2381.25654	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+2K-H"	76.91904
"1099514"	845.03154	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2K-H"	76.91904
"156126"	807.075658	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"2M+2K"	77.926316
"589489"	1191.131908	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"3M+2K"	77.926316
"1081656"	423.019408	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2K"	77.926316
"1108305"	847.046092	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2K+H"	78.933592
"1341408"	847.133707	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+DMSO+H"	79.021207
"1012124"	851.172876	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2ACN+H"	83.060376
"1532439"	852.166508	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+IsoProp+Na+H"	84.054008
"1003262"	426.090076	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+2ACN+2H"	84.067652
"1592297"	853.081128	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+K+HCOOH"	84.968628
"1429504"	883.112638	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+H+CF3COOH"	115.000138
"1161368"	446.603351	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+3ACN+2H"	125.094202
"1706546"	900.139185	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+NH4+CF3COOH"	132.026685
"1643288"	905.09458	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+Na+CF3COOH"	136.98208
"1584406"	921.06852	"C11369"	"Fluo-3"	"C36H30Cl2N2O13"	"768.1125"	"M+K+CF3COOH"	152.95602
"811491"	430.1158	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M"	0
"982836"	411.09741	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-H2O-H"	-19.01839
"73265"	285.736590666667	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M-3H"	-3.021828
"511731"	429.108524	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M-3H"	-3.021828
"884065"	142.364657333333	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-3H"	-3.021828
"329"	429.108524	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M-2H"	-2.014552
"439995"	644.166424	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M-2H"	-2.014552
"817322"	214.050624	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-2H"	-2.014552
"78603"	859.224324	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M-H"	-1.007276
"518737"	1289.340124	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M-H"	-1.007276
"906107"	429.108524	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-H"	-1.007276
"49911"	876.250871	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M-2H+NH4"	16.019271
"494572"	1306.366671	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M-2H+NH4"	16.019271
"869092"	446.135071	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-2H+NH4"	16.019271
"33715"	881.206266	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M-2H+Na"	20.974666
"476555"	1311.322066	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M-2H+Na"	20.974666
"858729"	451.090466	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-2H+Na"	20.974666
"1619517"	451.090466	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Na-2H"	20.974666
"102613"	447.096863	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M-H+Cl"	33.962126
"543266"	662.154763	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M-H+Cl"	33.962126
"937884"	232.038963	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-H+Cl"	33.962126
"281420"	895.201002	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+Cl"	34.969402
"668860"	1325.316802	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+Cl"	34.969402
"1286730"	465.085202	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Cl"	34.969402
"21630"	897.180206	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M-2H+K"	36.948606
"465563"	1327.296006	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M-2H+K"	36.948606
"837900"	467.064406	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-2H+K"	36.948606
"1570141"	467.064406	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+K-2H"	36.948606
"958106"	475.113994	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-H+HCOOH"	44.998194
"368582"	905.229801	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+HCOOH-H"	44.998201
"357936"	919.245451	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+Hac-H"	59.013851
"1505673"	489.129651	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Hac-H"	59.013851
"964466"	497.095951	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-H+NaCOOH"	66.980151
"113372"	465.085202	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+2Cl"	69.938804
"557312"	680.143102	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+2Cl"	69.938804
"1032675"	250.027302	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2Cl"	69.938804
"1246785"	509.034685	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Br"	78.918885
"1313606"	511.090672	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Cl+HCOOH"	80.974872
"1330008"	533.072629	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Cl+NaCOOH"	102.956829
"914871"	543.101386	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M-H+CF3COOH"	112.985586
"1299968"	579.078064	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Cl+CF3COOH"	148.962264
"1375942"	395.103124	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H-2H2O"	-35.012676
"1391252"	413.1131	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H-H2O"	-17.0027
"287657"	861.238876	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+H"	1.007276
"676112"	1291.354676	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+H"	1.007276
"1352418"	431.123076	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H"	1.007276
"133694"	431.123076	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+2H"	2.014552
"568512"	646.180976	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+2H"	2.014552
"1040228"	216.065176	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2H"	2.014552
"204729"	287.751142666667	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+3H"	3.021828
"645136"	431.123076	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+3H"	3.021828
"1165823"	144.379209333333	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+3H"	3.021828
"425078"	878.265423	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+NH4"	18.033823
"789726"	1308.381223	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+NH4"	18.033823
"1684961"	448.149623	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+NH4"	18.033823
"331048"	439.6363495	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+H+NH4"	19.041099
"725659"	654.6942495	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+H+NH4"	19.041099
"1487143"	224.5784495	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H+NH4"	19.041099
"394521"	883.220818	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+Na"	22.989218
"758067"	1313.336618	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+Na"	22.989218
"1603485"	453.105018	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Na"	22.989218
"316202"	442.114047	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+H+Na"	23.996494
"708623"	657.171947	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+H+Na"	23.996494
"1475210"	227.056147	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H+Na"	23.996494
"1068402"	151.706523333333	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2H+Na"	25.00377
"1269404"	463.149286	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+CH3OH+H"	33.033486
"386886"	899.194758	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+K"	38.963158
"754121"	1329.310558	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+K"	38.963158
"1555327"	469.078958	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+K"	38.963158
"309297"	450.101017	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+H+K"	39.970434
"696249"	665.158917	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+H+K"	39.970434
"1450069"	235.043117	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H+K"	39.970434
"241953"	902.265426	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+ACN+H"	42.033826
"1214660"	472.149626	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+ACN+H"	42.033826
"1202918"	236.578451	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+ACN+2H"	43.041102
"196881"	905.20276	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+2Na-H"	44.97116
"636446"	1335.31856	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+2Na-H"	44.97116
"1134483"	475.08696	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2Na-H"	44.97116
"188196"	453.105018	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+2Na"	45.978436
"628116"	668.162918	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+2Na"	45.978436
"1129230"	238.047118	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2Na"	45.978436
"1412996"	159.033837333333	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H+2Na"	46.985712
"1444017"	477.128546	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H+HCOOH"	47.012746
"232377"	458.13804	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+3H2O+2H"	56.04448
"1516431"	491.18059	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+IsoProp+H"	61.06479
"413931"	461.091988	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+Na+K"	61.952376
"782225"	676.149888	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+Na+K"	61.952376
"1676367"	246.034088	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Na+K"	61.952376
"267040"	924.247368	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+ACN+Na"	64.015768
"1241211"	494.131568	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+ACN+Na"	64.015768
"1728229"	494.155093	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+NH4+HCOOH"	64.039293
"1193746"	166.361151333333	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+3Na"	68.967654
"1665567"	499.110488	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Na+HCOOH"	68.994688
"172447"	937.15064	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+2K-H"	76.91904
"612649"	1367.26644	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+2K-H"	76.91904
"1099423"	507.03484	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2K-H"	76.91904
"154048"	469.078958	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"2M+2K"	77.926316
"589599"	684.136858	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"3M+2K"	77.926316
"1078486"	254.021058	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2K"	77.926316
"1108415"	509.049392	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2K+H"	78.933592
"1341518"	509.137007	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+DMSO+H"	79.021207
"1012234"	513.176176	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2ACN+H"	83.060376
"1532549"	514.169808	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+IsoProp+Na+H"	84.054008
"1000092"	257.091726	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+2ACN+2H"	84.067652
"1592407"	515.084428	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+K+HCOOH"	84.968628
"1425724"	545.115938	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+H+CF3COOH"	115.000138
"1157105"	277.605001	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+3ACN+2H"	125.094202
"1706656"	562.142485	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+NH4+CF3COOH"	132.026685
"1643398"	567.09788	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+Na+CF3COOH"	136.98208
"1584516"	583.07182	"C11370"	"N-Ethylmaleimide-S-glutathione"	"C16H22N4O8S"	"430.1158"	"M+K+CF3COOH"	152.95602
"811601"	310.1569	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M"	0
"984039"	291.13851	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-H2O-H"	-19.01839
"73375"	205.763990666667	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M-3H"	-3.021828
"511841"	309.149624	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M-3H"	-3.021828
"884175"	102.378357333333	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-3H"	-3.021828
"926"	309.149624	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M-2H"	-2.014552
"440156"	464.228074	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M-2H"	-2.014552
"817388"	154.071174	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-2H"	-2.014552
"78957"	619.306524	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M-H"	-1.007276
"518641"	929.463424	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M-H"	-1.007276
"907310"	309.149624	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-H"	-1.007276
"50021"	636.333071	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M-2H+NH4"	16.019271
"490673"	946.489971	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M-2H+NH4"	16.019271
"868109"	326.176171	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-2H+NH4"	16.019271
"33217"	641.288466	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M-2H+Na"	20.974666
"475571"	951.445366	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M-2H+Na"	20.974666
"858839"	331.131566	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-2H+Na"	20.974666
"1618938"	331.131566	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Na-2H"	20.974666
"97246"	327.137963	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M-H+Cl"	33.962126
"540093"	482.216413	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M-H+Cl"	33.962126
"932521"	172.059513	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-H+Cl"	33.962126
"276548"	655.283202	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+Cl"	34.969402
"671886"	965.440102	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+Cl"	34.969402
"1276997"	345.126302	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Cl"	34.969402
"21740"	657.262406	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M-2H+K"	36.948606
"463485"	967.419306	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M-2H+K"	36.948606
"835823"	347.105506	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-2H+K"	36.948606
"1565877"	347.105506	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+K-2H"	36.948606
"954853"	355.155094	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-H+HCOOH"	44.998194
"368692"	665.312001	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+HCOOH-H"	44.998201
"353672"	679.327651	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+Hac-H"	59.013851
"1500316"	369.170751	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Hac-H"	59.013851
"961660"	377.137051	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-H+NaCOOH"	66.980151
"110564"	345.126302	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+2Cl"	69.938804
"557422"	500.204752	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+2Cl"	69.938804
"1032785"	190.047852	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2Cl"	69.938804
"1247988"	389.075785	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Br"	78.918885
"1313716"	391.131772	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Cl+HCOOH"	80.974872
"1329754"	413.113729	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Cl+NaCOOH"	102.956829
"914617"	423.142486	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M-H+CF3COOH"	112.985586
"1297891"	459.119164	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Cl+CF3COOH"	148.962264
"1374959"	275.144224	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H-2H2O"	-35.012676
"1391362"	293.1542	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H-H2O"	-17.0027
"286674"	621.321076	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+H"	1.007276
"676184"	931.477976	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+H"	1.007276
"1351801"	311.164176	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H"	1.007276
"135991"	311.164176	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+2H"	2.014552
"567893"	466.242626	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+2H"	2.014552
"1040704"	156.085726	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2H"	2.014552
"204835"	207.778542666667	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+3H"	3.021828
"646340"	311.164176	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+3H"	3.021828
"1165933"	104.392909333333	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+3H"	3.021828
"425066"	638.347623	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+NH4"	18.033823
"789836"	948.504523	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+NH4"	18.033823
"1684707"	328.190723	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+NH4"	18.033823
"330794"	319.6774495	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+H+NH4"	19.041099
"725769"	474.7558995	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+H+NH4"	19.041099
"1486160"	164.5989995	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H+NH4"	19.041099
"393903"	643.303018	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+Na"	22.989218
"755991"	953.459918	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+Na"	22.989218
"1604808"	333.146118	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Na"	22.989218
"316312"	322.155147	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+H+Na"	23.996494
"708733"	477.233597	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+H+Na"	23.996494
"1474591"	167.076697	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H+Na"	23.996494
"1068407"	111.720223333333	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2H+Na"	25.00377
"1269150"	343.190386	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+CH3OH+H"	33.033486
"386996"	659.276958	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+K"	38.963158
"754173"	969.433858	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+K"	38.963158
"1555491"	349.120058	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+K"	38.963158
"309407"	330.142117	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+H+K"	39.970434
"694173"	485.220567	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+H+K"	39.970434
"1450179"	175.063667	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H+K"	39.970434
"244250"	662.347626	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+ACN+H"	42.033826
"1215863"	352.190726	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+ACN+H"	42.033826
"1201935"	176.599001	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+ACN+2H"	43.041102
"196992"	665.28496	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+2Na-H"	44.97116
"636556"	975.44186	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+2Na-H"	44.97116
"1134956"	355.12806	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2Na-H"	44.97116
"186277"	333.146118	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+2Na"	45.978436
"626565"	488.224568	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+2Na"	45.978436
"1125331"	178.067668	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2Na"	45.978436
"1410677"	119.047537333333	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H+2Na"	46.985712
"1443156"	357.169646	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H+HCOOH"	47.012746
"230663"	338.17914	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+3H2O+2H"	56.04448
"1513625"	371.22169	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+IsoProp+H"	61.06479
"413674"	341.133088	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+Na+K"	61.952376
"779052"	496.211538	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+Na+K"	61.952376
"1675382"	186.054638	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Na+K"	61.952376
"267027"	684.329568	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+ACN+Na"	64.015768
"1241283"	374.172668	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+ACN+Na"	64.015768
"1727937"	374.196193	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+NH4+HCOOH"	64.039293
"1193736"	126.374851333333	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+3Na"	68.967654
"1665088"	379.151588	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Na+HCOOH"	68.994688
"172676"	697.23284	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+2K-H"	76.91904
"612749"	1007.38974	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+2K-H"	76.91904
"1099534"	387.07594	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2K-H"	76.91904
"155983"	349.120058	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"2M+2K"	77.926316
"594935"	504.198508	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"3M+2K"	77.926316
"1080782"	194.041608	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2K"	77.926316
"1107431"	389.090492	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2K+H"	78.933592
"1340534"	389.178107	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+DMSO+H"	79.021207
"1012344"	393.217276	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2ACN+H"	83.060376
"1534845"	394.210908	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+IsoProp+Na+H"	84.054008
"999106"	197.112276	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+2ACN+2H"	84.067652
"1594704"	395.125528	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+K+HCOOH"	84.968628
"1428021"	425.157038	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+H+CF3COOH"	115.000138
"1159402"	217.625551	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+3ACN+2H"	125.094202
"1706766"	442.183585	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+NH4+CF3COOH"	132.026685
"1643508"	447.13898	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+Na+CF3COOH"	136.98208
"1584626"	463.11292	"C11371"	"Nafenopin"	"C20H22O3"	"310.1569"	"M+K+CF3COOH"	152.95602
"812805"	458.126	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M"	0
"981962"	439.10761	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-H2O-H"	-19.01839
"71298"	304.410057333333	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M-3H"	-3.021828
"511951"	457.118724	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M-3H"	-3.021828
"883192"	151.701390666667	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-3H"	-3.021828
"1400"	457.118724	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M-2H"	-2.014552
"442418"	686.181724	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M-2H"	-2.014552
"822406"	228.055724	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-2H"	-2.014552
"79845"	915.244724	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M-H"	-1.007276
"519893"	1373.370724	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M-H"	-1.007276
"904140"	457.118724	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-H"	-1.007276
"53047"	932.271271	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M-2H+NH4"	16.019271
"492606"	1390.397271	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M-2H+NH4"	16.019271
"870406"	474.145271	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-2H+NH4"	16.019271
"33935"	937.226666	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M-2H+Na"	20.974666
"474587"	1395.352666	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M-2H+Na"	20.974666
"856762"	479.100666	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-2H+Na"	20.974666
"1621921"	479.100666	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Na-2H"	20.974666
"96263"	475.107063	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M-H+Cl"	33.962126
"536192"	704.170063	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M-H+Cl"	33.962126
"935912"	246.044063	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-H+Cl"	33.962126
"278845"	951.221402	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+Cl"	34.969402
"672360"	1409.347402	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+Cl"	34.969402
"1280386"	493.095402	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Cl"	34.969402
"20757"	953.200606	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M-2H+K"	36.948606
"464689"	1411.326606	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M-2H+K"	36.948606
"841396"	495.074606	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-2H+K"	36.948606
"1559425"	495.074606	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+K-2H"	36.948606
"949494"	503.124194	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-H+HCOOH"	44.998194
"365522"	961.250201	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+HCOOH-H"	44.998201
"349407"	975.265851	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+Hac-H"	59.013851
"1494958"	517.139851	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Hac-H"	59.013851
"961406"	525.106151	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-H+NaCOOH"	66.980151
"111764"	493.095402	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+2Cl"	69.938804
"561906"	722.158402	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+2Cl"	69.938804
"1029615"	264.032402	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2Cl"	69.938804
"1250285"	537.044885	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Br"	78.918885
"1310546"	539.100872	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Cl+HCOOH"	80.974872
"1329135"	561.082829	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Cl+NaCOOH"	102.956829
"915091"	571.111586	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M-H+CF3COOH"	112.985586
"1301281"	607.088264	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Cl+CF3COOH"	148.962264
"1373975"	423.113324	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H-2H2O"	-35.012676
"1396939"	441.1233	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H-H2O"	-17.0027
"293343"	917.259276	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+H"	1.007276
"677021"	1375.385276	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+H"	1.007276
"1354465"	459.133276	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H"	1.007276
"139381"	459.133276	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+2H"	2.014552
"575662"	688.196276	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+2H"	2.014552
"1045554"	230.070276	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2H"	2.014552
"206527"	306.424609333333	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+3H"	3.021828
"645846"	459.133276	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+3H"	3.021828
"1166771"	153.715942666667	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+3H"	3.021828
"431136"	934.285823	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+NH4"	18.033823
"793226"	1392.411823	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+NH4"	18.033823
"1684086"	476.159823	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+NH4"	18.033823
"335647"	467.6465495	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+H+NH4"	19.041099
"731349"	696.7095495	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+H+NH4"	19.041099
"1480802"	238.5835495	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H+NH4"	19.041099
"395106"	939.241218	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+Na"	22.989218
"757193"	1397.367218	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+Na"	22.989218
"1605289"	481.115218	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Na"	22.989218
"315081"	470.124247	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+H+Na"	23.996494
"708844"	699.187247	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+H+Na"	23.996494
"1472515"	241.061247	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H+Na"	23.996494
"1059198"	161.043256666667	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2H+Na"	25.00377
"1264156"	491.159486	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+CH3OH+H"	33.033486
"390022"	955.215158	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+K"	38.963158
"753455"	1413.341158	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+K"	38.963158
"1554168"	497.089158	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+K"	38.963158
"308424"	478.111217	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+H+K"	39.970434
"694283"	707.174217	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+H+K"	39.970434
"1453570"	249.048217	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H+K"	39.970434
"243267"	958.285826	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+ACN+H"	42.033826
"1221440"	500.159826	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+ACN+H"	42.033826
"1208729"	250.583551	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+ACN+2H"	43.041102
"202569"	961.22316	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+2Na-H"	44.97116
"634479"	1419.34916	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+2Na-H"	44.97116
"1137984"	503.09716	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2Na-H"	44.97116
"187484"	481.115218	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+2Na"	45.978436
"626920"	710.178218	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+2Na"	45.978436
"1127994"	252.052218	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2Na"	45.978436
"1411517"	168.370570666667	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H+2Na"	46.985712
"1444118"	505.138746	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H+HCOOH"	47.012746
"230774"	486.14824	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+3H2O+2H"	56.04448
"1514465"	519.19079	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+IsoProp+H"	61.06479
"411965"	489.102188	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+Na+K"	61.952376
"777340"	718.165188	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+Na+K"	61.952376
"1676222"	260.039188	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Na+K"	61.952376
"266848"	980.267768	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+ACN+Na"	64.015768
"1241137"	522.141768	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+ACN+Na"	64.015768
"1727390"	522.165293	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+NH4+HCOOH"	64.039293
"1193798"	175.697884666667	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+3Na"	68.967654
"1665398"	527.120688	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Na+HCOOH"	68.994688
"172048"	993.17104	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+2K-H"	76.91904
"612670"	1451.29704	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+2K-H"	76.91904
"1099035"	535.04504	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2K-H"	76.91904
"152445"	497.089158	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"2M+2K"	77.926316
"592006"	726.152158	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"3M+2K"	77.926316
"1078705"	268.026158	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2K"	77.926316
"1110821"	537.059592	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2K+H"	78.933592
"1343924"	537.147207	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+DMSO+H"	79.021207
"1012454"	541.186376	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2ACN+H"	83.060376
"1536048"	542.180008	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+IsoProp+Na+H"	84.054008
"999216"	271.096826	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+2ACN+2H"	84.067652
"1595907"	543.094628	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+K+HCOOH"	84.968628
"1423757"	573.126138	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+H+CF3COOH"	115.000138
"1160605"	291.610101	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+3ACN+2H"	125.094202
"1709062"	590.152685	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+NH4+CF3COOH"	132.026685
"1643618"	595.10808	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+Na+CF3COOH"	136.98208
"1584736"	611.08202	"C11372"	"ICI D1694;ZD1694;Tomudex;Raltitrexed"	"C21H22N4O6S"	"458.126"	"M+K+CF3COOH"	152.95602
"814008"	448.1127	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M"	0
"979885"	429.09431	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-H2O-H"	-19.01839
"74688"	297.734524	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M-3H"	-3.021828
"512061"	447.105424	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M-3H"	-3.021828
"889862"	148.363624	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-3H"	-3.021828
"4063"	447.105424	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M-2H"	-2.014552
"440583"	671.161774	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M-2H"	-2.014552
"819600"	223.049074	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-2H"	-2.014552
"82142"	895.218124	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M-H"	-1.007276
"522434"	1343.330824	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M-H"	-1.007276
"908624"	447.105424	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-H"	-1.007276
"58260"	912.244671	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M-2H+NH4"	16.019271
"492716"	1360.357371	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M-2H+NH4"	16.019271
"870516"	464.131971	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-2H+NH4"	16.019271
"34045"	917.200066	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M-2H+Na"	20.974666
"476885"	1365.312766	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M-2H+Na"	20.974666
"854684"	469.087366	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-2H+Na"	20.974666
"1619966"	469.087366	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Na-2H"	20.974666
"97467"	465.093763	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M-H+Cl"	33.962126
"537395"	689.150113	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M-H+Cl"	33.962126
"934929"	241.037413	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-H+Cl"	33.962126
"278955"	931.194802	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+Cl"	34.969402
"673564"	1379.307502	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+Cl"	34.969402
"1278311"	483.082102	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Cl"	34.969402
"20865"	933.174006	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M-2H+K"	36.948606
"460426"	1381.286706	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M-2H+K"	36.948606
"837133"	485.061306	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-2H+K"	36.948606
"1562816"	485.061306	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+K-2H"	36.948606
"949604"	493.110894	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-H+HCOOH"	44.998194
"365632"	941.223601	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+HCOOH-H"	44.998201
"347451"	955.239251	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+Hac-H"	59.013851
"1493364"	507.126551	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Hac-H"	59.013851
"961516"	515.092851	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-H+NaCOOH"	66.980151
"111265"	483.082102	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+2Cl"	69.938804
"562016"	707.138452	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+2Cl"	69.938804
"1035192"	259.025752	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2Cl"	69.938804
"1250395"	527.031585	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Br"	78.918885
"1311749"	529.087572	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Cl+HCOOH"	80.974872
"1330338"	551.069529	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Cl+NaCOOH"	102.956829
"915931"	561.098286	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M-H+CF3COOH"	112.985586
"1301391"	597.074964	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Cl+CF3COOH"	148.962264
"1377366"	413.100024	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H-2H2O"	-35.012676
"1397049"	431.11	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H-H2O"	-17.0027
"290174"	897.232676	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+H"	1.007276
"677497"	1345.345376	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+H"	1.007276
"1356762"	449.119976	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H"	1.007276
"140584"	449.119976	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+2H"	2.014552
"580145"	673.176326	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+2H"	2.014552
"1045664"	225.063626	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2H"	2.014552
"204816"	299.749076	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+3H"	3.021828
"646928"	449.119976	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+3H"	3.021828
"1166879"	150.378176	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+3H"	3.021828
"430517"	914.259223	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+NH4"	18.033823
"790056"	1362.371923	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+NH4"	18.033823
"1685654"	466.146523	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+NH4"	18.033823
"335391"	457.6332495	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+H+NH4"	19.041099
"729272"	681.6895995	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+H+NH4"	19.041099
"1480911"	233.5768995	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H+NH4"	19.041099
"395214"	919.214618	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+Na"	22.989218
"754627"	1367.327318	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+Na"	22.989218
"1604669"	471.101918	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Na"	22.989218
"316164"	460.110947	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+H+Na"	23.996494
"707977"	684.167297	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+H+Na"	23.996494
"1469343"	236.054597	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H+Na"	23.996494
"1062224"	157.70549	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2H+Na"	25.00377
"1262079"	481.146186	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+CH3OH+H"	33.033486
"390132"	935.188558	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+K"	38.963158
"753444"	1383.301258	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+K"	38.963158
"1552822"	487.075858	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+K"	38.963158
"308534"	468.097917	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+H+K"	39.970434
"698766"	692.154267	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+H+K"	39.970434
"1454773"	244.041567	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H+K"	39.970434
"246293"	938.259226	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+ACN+H"	42.033826
"1222280"	490.146526	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+ACN+H"	42.033826
"1208351"	245.576901	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+ACN+2H"	43.041102
"199399"	941.19656	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+2Na-H"	44.97116
"640056"	1389.30926	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+2Na-H"	44.97116
"1142468"	493.08386	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2Na-H"	44.97116
"187230"	471.101918	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+2Na"	45.978436
"627272"	695.158268	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+2Na"	45.978436
"1126645"	247.045568	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2Na"	45.978436
"1410897"	165.032804	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H+2Na"	46.985712
"1443740"	495.125446	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H+HCOOH"	47.012746
"229791"	476.13494	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+3H2O+2H"	56.04448
"1513482"	509.17749	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+IsoProp+H"	61.06479
"415352"	479.088888	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+Na+K"	61.952376
"781458"	703.145238	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+Na+K"	61.952376
"1670496"	255.032538	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Na+K"	61.952376
"266390"	960.241168	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+ACN+Na"	64.015768
"1240558"	512.128468	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+ACN+Na"	64.015768
"1727499"	512.151993	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+NH4+HCOOH"	64.039293
"1193096"	172.360118	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+3Na"	68.967654
"1665380"	517.107388	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Na+HCOOH"	68.994688
"172768"	973.14444	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+2K-H"	76.91904
"612448"	1421.25714	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+2K-H"	76.91904
"1098534"	525.03174	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2K-H"	76.91904
"149275"	487.075858	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"2M+2K"	77.926316
"589929"	711.132208	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"3M+2K"	77.926316
"1077721"	263.019508	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2K"	77.926316
"1110931"	527.046292	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2K+H"	78.933592
"1345127"	527.133907	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+DMSO+H"	79.021207
"1009648"	531.173076	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2ACN+H"	83.060376
"1535065"	532.166708	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+IsoProp+Na+H"	84.054008
"999326"	266.090176	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+2ACN+2H"	84.067652
"1597110"	533.081328	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+K+HCOOH"	84.968628
"1424961"	563.112838	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+H+CF3COOH"	115.000138
"1159621"	286.603451	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+3ACN+2H"	125.094202
"1711237"	580.139385	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+NH4+CF3COOH"	132.026685
"1643728"	585.09478	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+Na+CF3COOH"	136.98208
"1584846"	601.06872	"C11373"	"Temocaprilat;RS 5139"	"C21H24N2O5S2"	"448.1127"	"M+K+CF3COOH"	152.95602
"811932"	500.1696	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M"	0
"982182"	481.15121	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-H2O-H"	-19.01839
"74798"	332.439124	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M-3H"	-3.021828
"512171"	499.162324	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M-3H"	-3.021828
"893253"	165.715924	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-3H"	-3.021828
"7454"	499.162324	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M-2H"	-2.014552
"448107"	749.247124	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M-2H"	-2.014552
"818129"	249.077524	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-2H"	-2.014552
"81525"	999.331924	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M-H"	-1.007276
"520113"	1499.501524	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M-H"	-1.007276
"908734"	499.162324	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-H"	-1.007276
"59828"	1016.358471	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M-2H+NH4"	16.019271
"495742"	1516.528071	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M-2H+NH4"	16.019271
"871719"	516.188871	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-2H+NH4"	16.019271
"37435"	1021.313866	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M-2H+Na"	20.974666
"476995"	1521.483466	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M-2H+Na"	20.974666
"856983"	521.144266	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-2H+Na"	20.974666
"1624331"	521.144266	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Na-2H"	20.974666
"97581"	517.150663	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M-H+Cl"	33.962126
"538237"	767.235463	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M-H+Cl"	33.962126
"933939"	267.065863	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-H+Cl"	33.962126
"269215"	1035.308602	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+Cl"	34.969402
"674891"	1535.478202	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+Cl"	34.969402
"1278421"	535.139002	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Cl"	34.969402
"20975"	1037.287806	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M-2H+K"	36.948606
"459443"	1537.457406	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M-2H+K"	36.948606
"837243"	537.118206	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-2H+K"	36.948606
"1566207"	537.118206	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+K-2H"	36.948606
"949714"	545.167794	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-H+HCOOH"	44.998194
"365742"	1045.337401	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+HCOOH-H"	44.998201
"347440"	1059.353051	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+Hac-H"	59.013851
"1493351"	559.183451	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Hac-H"	59.013851
"959072"	567.149751	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-H+NaCOOH"	66.980151
"111373"	535.139002	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+2Cl"	69.938804
"564801"	785.223802	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+2Cl"	69.938804
"1033115"	285.054202	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2Cl"	69.938804
"1250505"	579.088485	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Br"	78.918885
"1310766"	581.144472	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Cl+HCOOH"	80.974872
"1327168"	603.126429	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Cl+NaCOOH"	102.956829
"919321"	613.155186	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M-H+CF3COOH"	112.985586
"1298221"	649.131864	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Cl+CF3COOH"	148.962264
"1375289"	465.156924	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H-2H2O"	-35.012676
"1393879"	483.1669	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H-H2O"	-17.0027
"291378"	1001.346476	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+H"	1.007276
"680523"	1501.516076	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+H"	1.007276
"1356873"	501.176876	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H"	1.007276
"139238"	501.176876	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+2H"	2.014552
"576973"	751.261676	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+2H"	2.014552
"1047960"	251.092076	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2H"	2.014552
"204385"	334.453676	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+3H"	3.021828
"647038"	501.176876	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+3H"	3.021828
"1164072"	167.730476	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+3H"	3.021828
"425885"	1018.373023	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+NH4"	18.033823
"791259"	1518.542623	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+NH4"	18.033823
"1687589"	518.203423	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+NH4"	18.033823
"335867"	509.6901495	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+H+NH4"	19.041099
"730475"	759.7749495	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+H+NH4"	19.041099
"1481019"	259.6053495	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H+NH4"	19.041099
"394230"	1023.328418	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+Na"	22.989218
"754373"	1523.498018	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+Na"	22.989218
"1604416"	523.158818	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Na"	22.989218
"315300"	512.167847	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+H+Na"	23.996494
"707603"	762.252647	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+H+Na"	23.996494
"1473827"	262.083047	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H+Na"	23.996494
"1059418"	175.05779	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2H+Na"	25.00377
"1262189"	533.203086	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+CH3OH+H"	33.033486
"386233"	1039.302358	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+K"	38.963158
"751603"	1539.471958	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+K"	38.963158
"1555117"	539.132758	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+K"	38.963158
"305363"	520.154817	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+H+K"	39.970434
"698876"	770.239617	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+H+K"	39.970434
"1458164"	270.070017	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H+K"	39.970434
"249683"	1042.373026	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+ACN+H"	42.033826
"1224214"	542.203426	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+ACN+H"	42.033826
"1209443"	271.605351	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+ACN+2H"	43.041102
"202425"	1045.31036	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+2Na-H"	44.97116
"640167"	1545.47996	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+2Na-H"	44.97116
"1141485"	545.14076	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2Na-H"	44.97116
"187333"	523.158818	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+2Na"	45.978436
"625435"	773.243618	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+2Na"	45.978436
"1124568"	273.074018	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2Na"	45.978436
"1412102"	182.385104	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H+2Na"	46.985712
"1444215"	547.182346	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H+HCOOH"	47.012746
"230992"	528.19184	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+3H2O+2H"	56.04448
"1513591"	561.23439	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+IsoProp+H"	61.06479
"416556"	531.145788	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+Na+K"	61.952376
"781568"	781.230588	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+Na+K"	61.952376
"1670607"	281.060988	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Na+K"	61.952376
"264060"	1064.354968	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+ACN+Na"	64.015768
"1239328"	564.185368	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+ACN+Na"	64.015768
"1726756"	564.208893	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+NH4+HCOOH"	64.039293
"1192840"	189.712418	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+3Na"	68.967654
"1663822"	569.164288	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Na+HCOOH"	68.994688
"172387"	1077.25824	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+2K-H"	76.91904
"609150"	1577.42784	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+2K-H"	76.91904
"1098036"	577.08864	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2K-H"	76.91904
"149386"	539.132758	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"2M+2K"	77.926316
"586759"	789.217558	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"3M+2K"	77.926316
"1076738"	289.047958	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2K"	77.926316
"1109946"	579.103192	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2K+H"	78.933592
"1343052"	579.190807	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+DMSO+H"	79.021207
"1010488"	583.229976	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2ACN+H"	83.060376
"1539676"	584.223608	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+IsoProp+Na+H"	84.054008
"1004300"	292.118626	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+2ACN+2H"	84.067652
"1597220"	585.138228	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+K+HCOOH"	84.968628
"1427258"	615.169738	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+H+CF3COOH"	115.000138
"1160460"	312.631901	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+3ACN+2H"	125.094202
"1711347"	632.196285	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+NH4+CF3COOH"	132.026685
"1647119"	637.15168	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+Na+CF3COOH"	136.98208
"1584956"	653.12562	"C11374"	"GW1843;1843U89"	"C27H24N4O6"	"500.1696"	"M+K+CF3COOH"	152.95602
"805480"	585.172	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M"	0
"979012"	566.15361	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-H2O-H"	-19.01839
"74908"	389.107390666667	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M-3H"	-3.021828
"512281"	584.164724	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M-3H"	-3.021828
"886802"	194.050057333333	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-3H"	-3.021828
"5741"	584.164724	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M-2H"	-2.014552
"442748"	876.750724	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M-2H"	-2.014552
"817996"	291.578724	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-2H"	-2.014552
"80176"	1169.336724	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M-H"	-1.007276
"520102"	1754.508724	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M-H"	-1.007276
"909209"	584.164724	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-H"	-1.007276
"59574"	1186.363271	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M-2H+NH4"	16.019271
"496216"	1771.535271	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M-2H+NH4"	16.019271
"871829"	601.191271	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-2H+NH4"	16.019271
"38639"	1191.318666	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M-2H+Na"	20.974666
"478198"	1776.490666	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M-2H+Na"	20.974666
"857093"	606.146666	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-2H+Na"	20.974666
"1626628"	606.146666	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Na-2H"	20.974666
"100971"	602.153063	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M-H+Cl"	33.962126
"537252"	894.739063	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M-H+Cl"	33.962126
"932956"	309.567063	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-H+Cl"	33.962126
"270418"	1205.313402	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+Cl"	34.969402
"674513"	1790.485402	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+Cl"	34.969402
"1279624"	620.141402	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Cl"	34.969402
"22178"	1207.292606	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M-2H+K"	36.948606
"461739"	1792.464606	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M-2H+K"	36.948606
"835166"	622.120606	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-2H+K"	36.948606
"1564130"	622.120606	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+K-2H"	36.948606
"949824"	630.170194	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-H+HCOOH"	44.998194
"365852"	1215.342201	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+HCOOH-H"	44.998201
"349736"	1229.357851	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+Hac-H"	59.013851
"1493463"	644.185851	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Hac-H"	59.013851
"959547"	652.152151	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-H+NaCOOH"	66.980151
"110999"	620.141402	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+2Cl"	69.938804
"564423"	912.727402	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+2Cl"	69.938804
"1036384"	327.555402	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2Cl"	69.938804
"1253896"	664.090885	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Br"	78.918885
"1314157"	666.146872	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Cl+HCOOH"	80.974872
"1327279"	688.128829	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Cl+NaCOOH"	102.956829
"917244"	698.157586	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M-H+CF3COOH"	112.985586
"1300517"	734.134264	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Cl+CF3COOH"	148.962264
"1375398"	550.159324	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H-2H2O"	-35.012676
"1391799"	568.1693	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H-H2O"	-17.0027
"283707"	1171.351276	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+H"	1.007276
"681726"	1756.523276	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+H"	1.007276
"1356983"	586.179276	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H"	1.007276
"139348"	586.179276	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+2H"	2.014552
"578178"	878.765276	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+2H"	2.014552
"1048071"	293.593276	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2H"	2.014552
"205038"	391.121942666667	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+3H"	3.021828
"646785"	586.179276	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+3H"	3.021828
"1165641"	196.064609333333	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+3H"	3.021828
"427453"	1188.377823	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+NH4"	18.033823
"795743"	1773.549823	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+NH4"	18.033823
"1687699"	603.205823	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+NH4"	18.033823
"340351"	594.6925495	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+H+NH4"	19.041099
"730585"	887.2785495	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+H+NH4"	19.041099
"1481493"	302.1065495	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H+NH4"	19.041099
"397621"	1193.333218	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+Na"	22.989218
"759709"	1778.505218	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+Na"	22.989218
"1604647"	608.161218	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Na"	22.989218
"314802"	597.170247	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+H+Na"	23.996494
"710266"	889.756247	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+H+Na"	23.996494
"1466280"	304.584247	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H+Na"	23.996494
"1059522"	203.391923333333	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2H+Na"	25.00377
"1263387"	618.205486	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+CH3OH+H"	33.033486
"388894"	1209.307158	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+K"	38.963158
"750255"	1794.479158	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+K"	38.963158
"1549391"	624.135158	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+K"	38.963158
"304379"	605.157217	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+H+K"	39.970434
"701173"	897.743217	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+H+K"	39.970434
"1458273"	312.571217	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H+K"	39.970434
"246876"	1212.377826	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+ACN+H"	42.033826
"1222500"	627.205826	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+ACN+H"	42.033826
"1209546"	314.106551	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+ACN+2H"	43.041102
"202535"	1215.31516	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+2Na-H"	44.97116
"644005"	1800.48716	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+2Na-H"	44.97116
"1147006"	630.14316	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2Na-H"	44.97116
"188417"	608.161218	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+2Na"	45.978436
"627732"	900.747218	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+2Na"	45.978436
"1125772"	315.575218	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2Na"	45.978436
"1412577"	210.719237333333	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H+2Na"	46.985712
"1444326"	632.184746	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H+HCOOH"	47.012746
"232195"	613.19424	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+3H2O+2H"	56.04448
"1519165"	646.23679	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+IsoProp+H"	61.06479
"418851"	616.148188	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+Na+K"	61.952376
"782041"	908.734188	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+Na+K"	61.952376
"1670717"	323.562188	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Na+K"	61.952376
"260525"	1234.359768	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+ACN+Na"	64.015768
"1238345"	649.187768	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+ACN+Na"	64.015768
"1726862"	649.211293	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+NH4+HCOOH"	64.039293
"1190757"	218.046551333333	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+3Na"	68.967654
"1664901"	654.166688	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Na+HCOOH"	68.994688
"170793"	1247.26304	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+2K-H"	76.91904
"611450"	1832.43504	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+2K-H"	76.91904
"1099121"	662.09104	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2K-H"	76.91904
"156182"	624.135158	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"2M+2K"	77.926316
"590149"	916.721158	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"3M+2K"	77.926316
"1080128"	331.549158	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2K"	77.926316
"1107869"	664.105592	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2K+H"	78.933592
"1346442"	664.193207	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+DMSO+H"	79.021207
"1010598"	668.232376	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2ACN+H"	83.060376
"1539504"	669.226008	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+IsoProp+Na+H"	84.054008
"1002832"	334.619826	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+2ACN+2H"	84.067652
"1599519"	670.140628	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+K+HCOOH"	84.968628
"1426275"	700.172138	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+H+CF3COOH"	115.000138
"1158748"	355.133101	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+3ACN+2H"	125.094202
"1710485"	717.198685	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+NH4+CF3COOH"	132.026685
"1647229"	722.15408	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+Na+CF3COOH"	136.98208
"1585066"	738.12802	"C11375"	"SN38 glucuronide carboxylate form"	"C28H29N2O12"	"585.172"	"M+K+CF3COOH"	152.95602
"805590"	568.1693	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M"	0
"982402"	549.15091	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-H2O-H"	-19.01839
"75018"	377.772257333333	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M-3H"	-3.021828
"512391"	567.162024	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M-3H"	-3.021828
"886912"	188.382490666667	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-3H"	-3.021828
"5487"	567.162024	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M-2H"	-2.014552
"441766"	851.246674	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M-2H"	-2.014552
"817152"	283.077374	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-2H"	-2.014552
"79558"	1135.331324	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M-H"	-1.007276
"518628"	1703.500624	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M-H"	-1.007276
"910414"	567.162024	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-H"	-1.007276
"61265"	1152.357871	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M-2H+NH4"	16.019271
"495962"	1720.527171	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M-2H+NH4"	16.019271
"873033"	584.188571	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-2H+NH4"	16.019271
"38749"	1157.313266	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M-2H+Na"	20.974666
"478308"	1725.482566	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M-2H+Na"	20.974666
"855016"	589.143966	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-2H+Na"	20.974666
"1624551"	589.143966	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Na-2H"	20.974666
"97801"	585.150363	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M-H+Cl"	33.962126
"536267"	869.235013	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M-H+Cl"	33.962126
"934159"	301.065713	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-H+Cl"	33.962126
"269799"	1171.308002	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+Cl"	34.969402
"668425"	1739.477302	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+Cl"	34.969402
"1277546"	603.138702	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Cl"	34.969402
"22288"	1173.287206	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M-2H+K"	36.948606
"460755"	1741.456506	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M-2H+K"	36.948606
"835276"	605.117906	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-2H+K"	36.948606
"1557676"	605.117906	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+K-2H"	36.948606
"953214"	613.167494	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-H+HCOOH"	44.998194
"365962"	1181.336801	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+HCOOH-H"	44.998201
"349846"	1195.352451	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+Hac-H"	59.013851
"1492884"	627.183151	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Hac-H"	59.013851
"958553"	635.149451	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-H+NaCOOH"	66.980151
"110381"	603.138702	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+2Cl"	69.938804
"563805"	887.223352	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+2Cl"	69.938804
"1035887"	319.054052	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2Cl"	69.938804
"1250727"	647.088185	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Br"	78.918885
"1314268"	649.144172	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Cl+HCOOH"	80.974872
"1330670"	671.126129	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Cl+NaCOOH"	102.956829
"919542"	681.154886	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M-H+CF3COOH"	112.985586
"1296254"	717.131564	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Cl+CF3COOH"	148.962264
"1375508"	533.156624	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H-2H2O"	-35.012676
"1388629"	551.1666	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H-H2O"	-17.0027
"283247"	1137.345876	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+H"	1.007276
"681836"	1705.515176	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+H"	1.007276
"1358186"	569.176576	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H"	1.007276
"139457"	569.176576	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+2H"	2.014552
"579747"	853.261226	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+2H"	2.014552
"1048181"	285.091926	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2H"	2.014552
"205877"	379.786809333333	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+3H"	3.021828
"648355"	569.176576	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+3H"	3.021828
"1165387"	190.397042666667	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+3H"	3.021828
"426470"	1154.372423	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+NH4"	18.033823
"795853"	1722.541723	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+NH4"	18.033823
"1687809"	586.203123	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+NH4"	18.033823
"340461"	577.6898495	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+H+NH4"	19.041099
"730695"	861.7744995	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+H+NH4"	19.041099
"1481239"	293.6051995	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H+NH4"	19.041099
"397731"	1159.327818	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+Na"	22.989218
"759819"	1727.497118	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+Na"	22.989218
"1607918"	591.158518	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Na"	22.989218
"316008"	580.167547	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+H+Na"	23.996494
"711470"	864.252197	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+H+Na"	23.996494
"1467483"	296.082897	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H+Na"	23.996494
"1056352"	197.724356666667	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2H+Na"	25.00377
"1264590"	601.202786	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+CH3OH+H"	33.033486
"382075"	1175.301758	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+K"	38.963158
"752552"	1743.471058	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+K"	38.963158
"1546220"	607.132458	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+K"	38.963158
"302301"	588.154517	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+H+K"	39.970434
"696909"	872.239167	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+H+K"	39.970434
"1458019"	304.069867	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H+K"	39.970434
"248444"	1178.372426	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+ACN+H"	42.033826
"1221516"	610.203126	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+ACN+H"	42.033826
"1206859"	305.605201	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+ACN+2H"	43.041102
"200457"	1181.30976	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+2Na-H"	44.97116
"644232"	1749.47906	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+2Na-H"	44.97116
"1147031"	613.14046	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2Na-H"	44.97116
"186092"	591.158518	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+2Na"	45.978436
"626747"	875.243168	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+2Na"	45.978436
"1128069"	307.073868	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2Na"	45.978436
"1408312"	205.051670666667	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H+2Na"	46.985712
"1443708"	615.182046	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H+HCOOH"	47.012746
"231212"	596.19154	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+3H2O+2H"	56.04448
"1519275"	629.23409	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+IsoProp+H"	61.06479
"417867"	599.145488	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+Na+K"	61.952376
"782151"	883.230138	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+Na+K"	61.952376
"1670827"	315.060838	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Na+K"	61.952376
"263914"	1200.354368	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+ACN+Na"	64.015768
"1240960"	632.185068	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+ACN+Na"	64.015768
"1727823"	632.208593	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+NH4+HCOOH"	64.039293
"1193054"	212.378984666667	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+3Na"	68.967654
"1664039"	637.163988	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Na+HCOOH"	68.994688
"171757"	1213.25764	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+2K-H"	76.91904
"611560"	1781.42694	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+2K-H"	76.91904
"1096066"	645.08834	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2K-H"	76.91904
"149605"	607.132458	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"2M+2K"	77.926316
"590258"	891.217108	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"3M+2K"	77.926316
"1081331"	323.047808	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2K"	77.926316
"1109071"	647.102892	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2K+H"	78.933592
"1339258"	647.190507	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+DMSO+H"	79.021207
"1011436"	651.229676	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2ACN+H"	83.060376
"1539537"	652.223308	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+IsoProp+Na+H"	84.054008
"1003550"	326.118476	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+2ACN+2H"	84.067652
"1600722"	653.137928	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+K+HCOOH"	84.968628
"1426385"	683.169438	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+H+CF3COOH"	115.000138
"1157765"	346.631751	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+3ACN+2H"	125.094202
"1702940"	700.195985	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+NH4+CF3COOH"	132.026685
"1649162"	705.15138	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+Na+CF3COOH"	136.98208
"1585176"	721.12532	"C11376"	"SN38 glucuronide;SN-38G"	"C28H28N2O11"	"568.1693"	"M+K+CF3COOH"	152.95602
"812262"	862.6839	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M"	0
"981421"	843.66551	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-H2O-H"	-19.01839
"71849"	574.115324	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M-3H"	-3.021828
"509221"	861.676624	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M-3H"	-3.021828
"887023"	286.554024	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-3H"	-3.021828
"7784"	861.676624	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M-2H"	-2.014552
"446249"	1293.018574	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M-2H"	-2.014552
"826237"	430.334674	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-2H"	-2.014552
"88419"	1724.360524	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M-H"	-1.007276
"532483"	2587.044424	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M-H"	-1.007276
"906878"	861.676624	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-H"	-1.007276
"59065"	1741.387071	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M-2H+NH4"	16.019271
"496073"	2604.070971	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M-2H+NH4"	16.019271
"878010"	878.703171	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-2H+NH4"	16.019271
"41048"	1746.342466	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M-2H+Na"	20.974666
"480605"	2609.026366	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M-2H+Na"	20.974666
"855130"	883.658566	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-2H+Na"	20.974666
"1625756"	883.658566	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Na-2H"	20.974666
"98640"	879.664963	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M-H+Cl"	33.962126
"539293"	1311.006913	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M-H+Cl"	33.962126
"935358"	448.323013	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-H+Cl"	33.962126
"271740"	1760.337202	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+Cl"	34.969402
"667442"	2623.021102	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+Cl"	34.969402
"1275471"	897.653302	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Cl"	34.969402
"20211"	1762.316406	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M-2H+K"	36.948606
"457588"	2625.000306	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M-2H+K"	36.948606
"844142"	899.632506	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-2H+K"	36.948606
"1564349"	899.632506	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+K-2H"	36.948606
"947857"	907.682094	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-H+HCOOH"	44.998194
"371543"	1770.366001	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+HCOOH-H"	44.998201
"352145"	1784.381651	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+Hac-H"	59.013851
"1499883"	921.697751	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Hac-H"	59.013851
"959770"	929.664051	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-H+NaCOOH"	66.980151
"117431"	897.653302	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+2Cl"	69.938804
"563191"	1328.995252	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+2Cl"	69.938804
"1026887"	466.311352	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2Cl"	69.938804
"1243184"	941.602785	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Br"	78.918885
"1311098"	943.658772	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Cl+HCOOH"	80.974872
"1330780"	965.640729	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Cl+NaCOOH"	102.956829
"916376"	975.669486	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M-H+CF3COOH"	112.985586
"1298551"	1011.646164	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Cl+CF3COOH"	148.962264
"1372337"	827.671224	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H-2H2O"	-35.012676
"1383271"	845.6812	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H-H2O"	-17.0027
"284786"	1726.375076	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+H"	1.007276
"676843"	2589.058976	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+H"	1.007276
"1358296"	863.691176	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H"	1.007276
"137743"	863.691176	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+2H"	2.014552
"568557"	1295.033126	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+2H"	2.014552
"1043923"	432.349226	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2H"	2.014552
"206720"	576.129876	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+3H"	3.021828
"649198"	863.691176	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+3H"	3.021828
"1163675"	288.568576	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+3H"	3.021828
"431689"	1743.401623	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+NH4"	18.033823
"791591"	2606.085523	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+NH4"	18.033823
"1686828"	880.717723	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+NH4"	18.033823
"335105"	872.2044495	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+H+NH4"	19.041099
"727530"	1303.5463995	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+H+NH4"	19.041099
"1480256"	440.8624995	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H+NH4"	19.041099
"397841"	1748.357018	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+Na"	22.989218
"755555"	2611.040918	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+Na"	22.989218
"1606931"	885.673118	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Na"	22.989218
"318066"	874.682147	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+H+Na"	23.996494
"716325"	1306.024097	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+H+Na"	23.996494
"1468686"	443.340197	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H+Na"	23.996494
"1058650"	295.89589	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2H+Na"	25.00377
"1262518"	895.717386	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+CH3OH+H"	33.033486
"384377"	1764.330958	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+K"	38.963158
"743182"	2627.014858	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+K"	38.963158
"1545234"	901.647058	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+K"	38.963158
"301683"	882.669117	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+H+K"	39.970434
"696289"	1314.011067	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+H+K"	39.970434
"1451935"	451.327167	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H+K"	39.970434
"243818"	1767.401626	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+ACN+H"	42.033826
"1221263"	904.717726	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+ACN+H"	42.033826
"1206605"	452.862501	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+ACN+2H"	43.041102
"196563"	1770.33896	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+2Na-H"	44.97116
"641955"	2633.02286	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+2Na-H"	44.97116
"1142914"	907.65506	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2Na-H"	44.97116
"183654"	885.673118	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+2Na"	45.978436
"624308"	1317.015068	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+2Na"	45.978436
"1125627"	454.331168	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2Na"	45.978436
"1409879"	303.223204	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H+2Na"	46.985712
"1439443"	909.696646	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H+HCOOH"	47.012746
"228772"	890.70614	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+3H2O+2H"	56.04448
"1517565"	923.74869	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+IsoProp+H"	61.06479
"417622"	893.660088	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+Na+K"	61.952376
"777525"	1325.002038	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+Na+K"	61.952376
"1679331"	462.318138	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Na+K"	61.952376
"264759"	1789.383568	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+ACN+Na"	64.015768
"1235646"	926.699668	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+ACN+Na"	64.015768
"1726717"	926.723193	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+NH4+HCOOH"	64.039293
"1193774"	310.550518	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+3Na"	68.967654
"1663060"	931.678588	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Na+HCOOH"	68.994688
"169920"	1802.28684	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+2K-H"	76.91904
"607293"	2664.97074	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+2K-H"	76.91904
"1090711"	939.60294	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2K-H"	76.91904
"152993"	901.647058	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"2M+2K"	77.926316
"587087"	1332.989008	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"3M+2K"	77.926316
"1074878"	470.305108	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2K"	77.926316
"1104079"	941.617492	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2K+H"	78.933592
"1338641"	941.705107	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+DMSO+H"	79.021207
"1010818"	945.744276	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2ACN+H"	83.060376
"1539827"	946.737908	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+IsoProp+Na+H"	84.054008
"1003903"	473.375776	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+2ACN+2H"	84.067652
"1601929"	947.652528	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+K+HCOOH"	84.968628
"1426495"	977.684038	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+H+CF3COOH"	115.000138
"1160062"	493.889051	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+3ACN+2H"	125.094202
"1709614"	994.710585	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+NH4+CF3COOH"	132.026685
"1644169"	999.66598	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+Na+CF3COOH"	136.98208
"1585287"	1015.63992	"C11378"	"Ubiquinone-10;Ubidecarenone;Coenzyme Q10"	"C59H90O4"	"862.6839"	"M+K+CF3COOH"	152.95602
"814559"	294.1732	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M"	0
"982624"	275.15481	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H2O-H"	-19.01839
"75239"	195.108190666667	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-3H"	-3.021828
"509331"	293.165924	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-3H"	-3.021828
"887133"	97.0504573333333	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-3H"	-3.021828
"7894"	293.165924	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H"	-2.014552
"445266"	440.252524	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H"	-2.014552
"823066"	146.079324	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H"	-2.014552
"88529"	587.339124	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-H"	-1.007276
"531254"	881.512324	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-H"	-1.007276
"910150"	293.165924	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H"	-1.007276
"59174"	604.365671	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H+NH4"	16.019271
"499463"	898.538871	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H+NH4"	16.019271
"875445"	310.192471	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H+NH4"	16.019271
"43345"	609.321066	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H+Na"	20.974666
"482903"	903.494266	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H+Na"	20.974666
"856333"	315.147866	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H+Na"	20.974666
"1630239"	315.147866	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na-2H"	20.974666
"101302"	311.154263	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-H+Cl"	33.962126
"539039"	458.240863	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-H+Cl"	33.962126
"931099"	164.067663	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+Cl"	33.962126
"270757"	623.315802	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Cl"	34.969402
"666459"	917.489002	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+Cl"	34.969402
"1276675"	329.142602	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl"	34.969402
"17044"	625.295006	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M-2H+K"	36.948606
"457698"	919.468206	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M-2H+K"	36.948606
"838784"	331.121806	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-2H+K"	36.948606
"1569562"	331.121806	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K-2H"	36.948606
"947967"	339.171394	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+HCOOH"	44.998194
"369466"	633.344601	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+HCOOH-H"	44.998201
"354442"	647.360251	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Hac-H"	59.013851
"1499993"	353.187051	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Hac-H"	59.013851
"959880"	361.153351	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+NaCOOH"	66.980151
"123373"	329.142602	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2Cl"	69.938804
"564759"	476.229202	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2Cl"	69.938804
"1026997"	182.056002	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2Cl"	69.938804
"1248761"	373.092085	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Br"	78.918885
"1313395"	375.148072	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl+HCOOH"	80.974872
"1329797"	397.130029	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl+NaCOOH"	102.956829
"919767"	407.158786	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M-H+CF3COOH"	112.985586
"1294288"	443.135464	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Cl+CF3COOH"	148.962264
"1368558"	259.160524	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H-2H2O"	-35.012676
"1383255"	277.1705	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H-H2O"	-17.0027
"288542"	589.353676	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H"	1.007276
"682058"	883.526876	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H"	1.007276
"1362416"	295.180476	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H"	1.007276
"136761"	295.180476	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2H"	2.014552
"575227"	442.267076	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2H"	2.014552
"1041117"	148.093876	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2H"	2.014552
"208653"	197.122742666667	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+3H"	3.021828
"649308"	295.180476	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+3H"	3.021828
"1169619"	99.0650093333334	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+3H"	3.021828
"432893"	606.380223	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+NH4"	18.033823
"794981"	900.553423	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+NH4"	18.033823
"1690219"	312.207023	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+NH4"	18.033823
"342871"	303.6937495	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H+NH4"	19.041099
"727640"	450.7803495	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H+NH4"	19.041099
"1479273"	156.6071495	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+NH4"	19.041099
"395766"	611.335618	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Na"	22.989218
"755667"	905.508818	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+Na"	22.989218
"1608138"	317.162418	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na"	22.989218
"319270"	306.171447	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H+Na"	23.996494
"715706"	453.258047	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H+Na"	23.996494
"1466609"	159.084847	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+Na"	23.996494
"1056571"	106.392323333333	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2H+Na"	25.00377
"1264450"	327.206686	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+CH3OH+H"	33.033486
"384486"	627.309558	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+K"	38.963158
"746574"	921.482758	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+K"	38.963158
"1548626"	333.136358	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K"	38.963158
"306164"	314.158417	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+H+K"	39.970434
"699315"	461.245017	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+H+K"	39.970434
"1453138"	167.071817	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+K"	39.970434
"246479"	630.380226	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+ACN+H"	42.033826
"1220280"	336.207026	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+ACN+H"	42.033826
"1202704"	168.607151	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+ACN+2H"	43.041102
"200318"	633.31756	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2Na-H"	44.97116
"642430"	927.49076	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2Na-H"	44.97116
"1143389"	339.14436	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2Na-H"	44.97116
"184859"	317.162418	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2Na"	45.978436
"623688"	464.249018	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2Na"	45.978436
"1125737"	170.075818	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2Na"	45.978436
"1411083"	113.719637333333	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+2Na"	46.985712
"1440283"	341.185946	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+HCOOH"	47.012746
"229979"	322.19544	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+3H2O+2H"	56.04448
"1516946"	355.23799	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+IsoProp+H"	61.06479
"417001"	325.149388	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+Na+K"	61.952376
"777635"	472.235988	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+Na+K"	61.952376
"1679441"	178.062788	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na+K"	61.952376
"265962"	652.362168	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+ACN+Na"	64.015768
"1238308"	358.188968	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+ACN+Na"	64.015768
"1726464"	358.212493	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+NH4+HCOOH"	64.039293
"1193155"	121.046951333333	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+3Na"	68.967654
"1660983"	363.167888	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na+HCOOH"	68.994688
"170030"	665.26544	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2K-H"	76.91904
"610684"	959.43864	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2K-H"	76.91904
"1091914"	371.09224	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2K-H"	76.91904
"153103"	333.136358	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"2M+2K"	77.926316
"590478"	480.222958	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"3M+2K"	77.926316
"1078269"	186.049758	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2K"	77.926316
"1108198"	373.106792	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2K+H"	78.933592
"1340211"	373.194407	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+DMSO+H"	79.021207
"1014208"	377.233576	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2ACN+H"	83.060376
"1539631"	378.227208	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+IsoProp+Na+H"	84.054008
"1000974"	189.120426	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+2ACN+2H"	84.067652
"1601553"	379.141828	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K+HCOOH"	84.968628
"1426605"	409.173338	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+H+CF3COOH"	115.000138
"1161265"	209.633701	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+3ACN+2H"	125.094202
"1711545"	426.199885	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+NH4+CF3COOH"	132.026685
"1646467"	431.15528	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+Na+CF3COOH"	136.98208
"1585397"	447.12922	"C11379"	"Cinchonidine;(8alpha9R)-Cinchonan-9-ol"	"C19H22N2O"	"294.1732"	"M+K+CF3COOH"	152.95602
"812482"	166.063	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M"	0
"986014"	147.04461	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"68788"	109.701390666667	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"504095"	165.055724	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"887243"	54.3470573333333	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"4724"	165.055724	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"446469"	248.087224	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"818073"	82.024224	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"83171"	331.118724	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"533430"	497.181724	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"910257"	165.055724	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"59284"	348.145271	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"498844"	514.208271	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"879409"	182.082271	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"45642"	353.100666	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"480826"	519.163666	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"856444"	187.037666	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1630351"	187.037666	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"101414"	183.044063	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"540974"	266.075563	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"934490"	100.012563	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"274147"	367.095402	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"666569"	533.158402	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1274232"	201.032402	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"16909"	369.074606	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"457808"	535.137606	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"837800"	203.011606	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1566756"	203.011606	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"948077"	211.061194	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"371763"	377.124201	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"356739"	391.139851	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1500103"	225.076851	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"964363"	233.043151	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"123847"	201.032402	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"560495"	284.063902	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1027107"	118.000902	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1245591"	244.981885	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1315693"	247.037872	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1327720"	269.019829	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"912705"	279.048586	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1297677"	315.025264	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1370370"	131.050324	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1383612"	149.0603	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"291932"	333.133276	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"682168"	499.196276	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1362890"	167.070276	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H"	1.007276
"137963"	167.070276	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"576431"	250.101776	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1044143"	84.038776	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"210950"	111.715942666667	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"650512"	167.070276	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1169729"	56.3616093333333	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"431910"	350.159823	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"796185"	516.222823	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1695433"	184.096823	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"343711"	175.5835495	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"726657"	258.6150495	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1482663"	92.5520495	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"396969"	355.115218	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"760151"	521.178218	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1610435"	189.052218	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"321568"	178.061247	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"715086"	261.092747	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1466719"	95.029747	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1058868"	63.6889233333333	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1261644"	199.096486	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"382410"	371.089158	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"745589"	537.152158	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1547642"	205.026158	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+K"	38.963158
"311013"	186.048217	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"700517"	269.079717	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1454342"	103.016717	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"244767"	374.159826	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1223307"	208.096826	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1205001"	104.552051	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"202615"	377.09716	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"642783"	543.16016	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1144229"	211.03416	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"185333"	189.052218	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"624527"	272.083718	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1129128"	106.020718	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1413263"	71.0162373333333	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1443674"	213.075746	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"234098"	194.08524	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1522525"	227.12779	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"418570"	197.039188	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"777745"	280.070688	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1678458"	114.007688	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"263885"	396.141768	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1232586"	230.078768	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1722564"	230.102293	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1189740"	78.3435513333333	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1658906"	235.057688	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"166859"	409.04504	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"608607"	575.10804	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1095305"	242.98204	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"153213"	205.026158	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"590588"	288.057658	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1075099"	121.994658	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1107215"	244.996592	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1341414"	245.084207	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1014318"	249.123376	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1538890"	250.117008	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"1002177"	125.065326	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1601055"	251.031628	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1425622"	281.063138	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1160282"	145.578601	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1710926"	298.089685	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1647670"	303.04508	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1585507"	319.01902	"C11380"	"Apocynin;Acetovanillone"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"814779"	245.1416	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M"	0
"982844"	226.12321	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-H2O-H"	-19.01839
"65618"	162.420457333333	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M-3H"	-3.021828
"504084"	244.134324	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M-3H"	-3.021828
"884073"	80.7065906666667	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-3H"	-3.021828
"4834"	244.134324	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M-2H"	-2.014552
"446579"	366.705124	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M-2H"	-2.014552
"818183"	121.563524	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-2H"	-2.014552
"84374"	489.275924	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M-H"	-1.007276
"526128"	734.417524	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M-H"	-1.007276
"906115"	244.134324	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-H"	-1.007276
"57207"	506.302471	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M-2H+NH4"	16.019271
"500047"	751.444071	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M-2H+NH4"	16.019271
"878824"	261.160871	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-2H+NH4"	16.019271
"41377"	511.257866	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M-2H+Na"	20.974666
"480936"	756.399466	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M-2H+Na"	20.974666
"855459"	266.116266	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-2H+Na"	20.974666
"1624993"	266.116266	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Na-2H"	20.974666
"96785"	262.122663	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M-H+Cl"	33.962126
"538897"	384.693463	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M-H+Cl"	33.962126
"933506"	139.551863	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-H+Cl"	33.962126
"272064"	525.252602	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+Cl"	34.969402
"662668"	770.394202	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+Cl"	34.969402
"1273978"	280.111002	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Cl"	34.969402
"17378"	527.231806	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M-2H+K"	36.948606
"456945"	772.373406	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M-2H+K"	36.948606
"837910"	282.090206	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-2H+K"	36.948606
"1565772"	282.090206	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+K-2H"	36.948606
"944907"	290.139794	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-H+HCOOH"	44.998194
"369686"	535.281401	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+HCOOH-H"	44.998201
"356849"	549.297051	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+Hac-H"	59.013851
"1500213"	304.155451	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Hac-H"	59.013851
"963744"	312.121751	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-H+NaCOOH"	66.980151
"123957"	280.111002	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+2Cl"	69.938804
"560974"	402.681802	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+2Cl"	69.938804
"1027218"	157.540202	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2Cl"	69.938804
"1246066"	324.060485	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Br"	78.918885
"1312523"	326.116472	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Cl+HCOOH"	80.974872
"1331112"	348.098429	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Cl+NaCOOH"	102.956829
"912086"	358.127186	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M-H+CF3COOH"	112.985586
"1296694"	394.103864	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Cl+CF3COOH"	148.962264
"1368657"	210.128924	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H-2H2O"	-35.012676
"1382830"	228.1389	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H-H2O"	-17.0027
"292043"	491.290476	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+H"	1.007276
"685194"	736.432076	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+H"	1.007276
"1364461"	246.148876	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H"	1.007276
"138442"	246.148876	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+2H"	2.014552
"574354"	368.719676	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+2H"	2.014552
"1044253"	123.578076	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2H"	2.014552
"216162"	164.435009333333	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+3H"	3.021828
"651715"	246.148876	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+3H"	3.021828
"1173120"	82.7211426666667	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+3H"	3.021828
"435301"	508.317023	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+NH4"	18.033823
"797390"	753.458623	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+NH4"	18.033823
"1694455"	263.175423	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+NH4"	18.033823
"343824"	254.6621495	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+H+NH4"	19.041099
"730049"	377.2329495	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+H+NH4"	19.041099
"1481681"	132.0913495	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H+NH4"	19.041099
"396351"	513.272418	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+Na"	22.989218
"763542"	758.414018	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+Na"	22.989218
"1611640"	268.130818	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Na"	22.989218
"324959"	257.139847	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+H+Na"	23.996494
"715196"	379.710647	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+H+Na"	23.996494
"1467922"	134.569047	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H+Na"	23.996494
"1056792"	90.0484566666667	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2H+Na"	25.00377
"1262848"	278.175086	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+CH3OH+H"	33.033486
"381426"	529.246358	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+K"	38.963158
"743513"	774.387958	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+K"	38.963158
"1548847"	284.104758	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+K"	38.963158
"311488"	265.126817	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+H+K"	39.970434
"697347"	387.697617	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+H+K"	39.970434
"1453359"	142.556017	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H+K"	39.970434
"247792"	532.317026	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+ACN+H"	42.033826
"1223417"	287.175426	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+ACN+H"	42.033826
"1205112"	144.091351	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+ACN+2H"	43.041102
"200903"	535.25436	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+2Na-H"	44.97116
"642898"	780.39596	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+2Na-H"	44.97116
"1144339"	290.11276	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2Na-H"	44.97116
"185441"	268.130818	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+2Na"	45.978436
"622813"	390.701618	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+2Na"	45.978436
"1127048"	145.560018	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2Na"	45.978436
"1411303"	97.3757706666667	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H+2Na"	46.985712
"1443055"	292.154346	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H+HCOOH"	47.012746
"233115"	273.16384	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+3H2O+2H"	56.04448
"1521542"	306.20639	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+IsoProp+H"	61.06479
"415034"	276.117788	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+Na+K"	61.952376
"780771"	398.688588	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+Na+K"	61.952376
"1680026"	153.546988	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Na+K"	61.952376
"265817"	554.298968	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+ACN+Na"	64.015768
"1234882"	309.157368	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+ACN+Na"	64.015768
"1722674"	309.180893	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+NH4+HCOOH"	64.039293
"1193130"	104.703084666667	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+3Na"	68.967654
"1660110"	314.136288	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Na+HCOOH"	68.994688
"166970"	567.20224	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+2K-H"	76.91904
"610904"	812.34384	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+2K-H"	76.91904
"1097602"	322.06064	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2K-H"	76.91904
"153323"	284.104758	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"2M+2K"	77.926316
"590696"	406.675558	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"3M+2K"	77.926316
"1081770"	161.533958	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2K"	77.926316
"1110605"	324.075192	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2K+H"	78.933592
"1341524"	324.162807	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+DMSO+H"	79.021207
"1014428"	328.201976	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2ACN+H"	83.060376
"1536928"	329.195608	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+IsoProp+Na+H"	84.054008
"1004355"	164.604626	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+2ACN+2H"	84.067652
"1601773"	330.110228	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+K+HCOOH"	84.968628
"1427919"	360.141738	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+H+CF3COOH"	115.000138
"1160392"	185.117901	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+3ACN+2H"	125.094202
"1711036"	377.168285	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+NH4+CF3COOH"	132.026685
"1647780"	382.12368	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+Na+CF3COOH"	136.98208
"1585617"	398.09762	"C11381"	"Benzoyltropein;Benzoyltropine"	"C15H19NO2"	"245.1416"	"M+K+CF3COOH"	152.95602
"815865"	136.1252	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M"	0
"980768"	117.10681	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"75570"	89.7428573333333	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"515131"	135.117924	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"891838"	44.3677906666667	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"14996"	135.117924	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"454346"	203.180524	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"832637"	67.055324	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"88862"	271.243124	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"530611"	407.368324	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"907320"	135.117924	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"59507"	288.269671	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"497972"	424.394871	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"876502"	152.144471	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"44769"	293.225066	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"485302"	429.350266	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"855572"	157.099866	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1627292"	157.099866	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"104916"	153.106263	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"545571"	221.168863	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"935806"	85.043663	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"273270"	307.219802	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"664603"	443.345002	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1280287"	171.094602	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"27217"	309.199006	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"470062"	445.324206	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"841300"	173.073806	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1566976"	173.073806	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"951578"	181.123394	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"370524"	317.248601	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"356595"	331.264251	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1495948"	195.139051	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"963489"	203.105351	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"123338"	171.094602	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"564361"	239.157202	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1030608"	103.032002	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1248363"	215.044085	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1317736"	217.100072	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1331222"	239.082029	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"916085"	249.110786	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1297898"	285.087464	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1370954"	101.112524	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1386990"	119.1225	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"293248"	273.257676	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"683482"	409.382876	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1357644"	137.132476	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H"	1.007276
"131624"	137.132476	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"570092"	205.195076	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1045457"	69.069876	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"212992"	91.7574093333333	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"657292"	137.132476	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1173230"	46.3823426666667	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"437599"	290.284223	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"799689"	426.409423	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1693470"	154.159023	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"343934"	145.6457495	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"727972"	213.7083495	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1482886"	77.5831495	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"398285"	295.239618	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"765840"	431.364818	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1612843"	159.114418	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"328350"	148.123447	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"715306"	216.186047	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462807"	80.060847	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1057996"	53.7096566666667	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1259677"	169.158686	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"380441"	311.213558	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"743623"	447.338758	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1544582"	175.088358	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+K"	38.963158
"306131"	156.110417	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"696363"	224.173017	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1453469"	88.047817	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"244257"	314.284226	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1219881"	178.159026	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1203034"	89.583151	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"202108"	317.22156	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"643252"	453.34676	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1139709"	181.09636	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"186281"	159.114418	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"618547"	227.177018	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1120961"	91.051818	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1408131"	61.0369706666667	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1440247"	183.137946	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"228484"	164.14744	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1519827"	197.18999	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"419154"	167.101388	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"781246"	235.163988	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1680380"	99.038788	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"266049"	336.266168	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1234991"	200.140968	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1722783"	200.164493	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1190324"	68.3642846666667	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1663497"	205.119888	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"172184"	349.16944	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"610645"	485.29464	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1098561"	213.04424	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"152338"	175.088358	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"586429"	243.150958	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1083624"	107.025758	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1107435"	215.058792	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1344914"	215.146407	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1014538"	219.185576	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1537038"	220.179208	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1001305"	110.096426	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1599087"	221.093828	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1427665"	251.125338	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1160502"	130.609701	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1708959"	268.151885	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1647890"	273.10728	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1585727"	289.08122	"C11382"	"()-3-Carene;Isodiprene;()-Car-3-ene;(1S6R)-377-Trimethylbicyclo410hept-3-ene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"815732"	150.1045	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M"	0
"989020"	131.08611	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"72401"	99.0623906666667	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"515242"	149.097224	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"894136"	49.0275573333333	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"14654"	149.097224	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"452269"	224.149474	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"828977"	74.044974	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"90066"	299.201724	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"528534"	449.306224	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"908159"	149.097224	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"60346"	316.228271	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"499175"	466.332771	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"878558"	166.123771	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"43784"	321.183666	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"485415"	471.288166	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"857869"	171.079166	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1627403"	171.079166	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"103933"	167.085563	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"546774"	242.137813	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"934822"	92.033313	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"276658"	335.178402	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"660333"	485.282902	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1280397"	185.073902	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"17485"	337.157606	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"467983"	487.262106	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"837037"	187.053106	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1560524"	187.053106	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"947313"	195.102694	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"370998"	345.207201	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"353788"	359.222851	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1496058"	209.118351	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"961776"	217.084651	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"123448"	185.073902	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"565619"	260.126152	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1032905"	110.021652	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1253577"	229.023385	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1317846"	231.079372	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1331332"	253.061329	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"915831"	263.090086	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1298008"	299.066764	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1371794"	115.091824	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1389288"	133.1018	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"294819"	301.216276	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"686875"	451.320776	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1363953"	151.111776	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"136475"	151.111776	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"574575"	226.164026	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1050306"	76.059526	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"212371"	101.076942666667	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"655581"	151.111776	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1167872"	51.0421093333333	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"437592"	318.242823	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"799438"	468.347323	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1695039"	168.138323	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"344045"	159.6250495	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"724072"	234.6772995	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1484819"	84.5727995	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"402405"	323.198218	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"768505"	473.302718	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1616600"	173.093718	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"327003"	162.102747	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"713229"	237.154997	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1462796"	87.050497	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1057013"	58.3694233333333	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1260881"	183.137986	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"379458"	339.172158	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"741546"	489.276658	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1543600"	189.067658	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"302961"	170.089717	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"696474"	245.141967	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1448107"	95.037467	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"237803"	342.242826	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1219991"	192.138326	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1202051"	96.572801	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"202708"	345.18016	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"642755"	495.28466	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1142006"	195.07566	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"183472"	173.093718	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"617565"	248.145968	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1125445"	98.041468	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1401315"	65.6967373333333	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1441449"	197.117246	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"230780"	178.12674	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1516655"	211.16929	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"421088"	181.080688	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"781356"	256.132938	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1679516"	106.028438	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"264944"	364.224768	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1234008"	214.120268	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1723987"	214.143793	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1187154"	73.0240513333333	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1661420"	219.099188	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"172171"	377.12804	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"611729"	527.23254	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1093444"	227.02354	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"152447"	189.067658	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"585446"	264.119908	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1083450"	114.015408	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1107545"	229.038092	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1343931"	229.125707	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1014648"	233.164876	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1536055"	234.158508	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1002508"	117.086076	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1601748"	235.073128	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1427046"	265.104638	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1159519"	137.599351	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1710163"	282.131185	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1648000"	287.08658	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1585837"	303.06052	"C11383"	"()-(S)-Carvone;Carvol;()-Carvone;Carvone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"812922"	154.1358	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M"	0
"986456"	135.11741	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"72511"	101.749924	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"514259"	153.128524	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"892059"	50.371324	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"15373"	153.128524	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"452379"	230.196424	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"826900"	76.060624	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"89082"	307.264324	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"529737"	461.400124	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"907539"	153.128524	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"58633"	324.290871	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"501473"	478.426671	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"878180"	170.155071	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"39520"	329.246266	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"483455"	483.382066	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"857980"	175.110466	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1629700"	175.110466	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"101856"	171.116863	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"545791"	248.184763	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"938214"	94.048963	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"273490"	343.241002	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"669197"	497.376802	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1280507"	189.105202	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"24157"	345.220206	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468093"	499.356006	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"840429"	191.084406	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1561728"	191.084406	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"949611"	199.133994	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"370015"	353.269801	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"351712"	367.285451	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1498355"	213.149651	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"966989"	221.115951	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"123558"	189.105202	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"565306"	266.173102	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1031920"	112.037302	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1254779"	233.054685	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1313946"	235.110672	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1329253"	257.092629	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"915941"	267.121386	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1298118"	303.098064	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1372997"	119.123124	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1385024"	137.1331	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"296386"	309.278876	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"688443"	463.414676	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1363698"	155.143076	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H"	1.007276
"137677"	155.143076	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"574685"	232.210976	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1051389"	78.075176	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"212481"	103.764476	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"656055"	155.143076	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1167982"	52.385876	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"437095"	326.305423	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"798819"	480.441223	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1695150"	172.169623	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"344520"	163.6563495	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"726369"	240.7242495	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1484200"	86.5884495	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"403973"	331.260818	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"768739"	485.396618	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1617074"	177.125018	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"325292"	166.134047	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"713339"	243.201947	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1463391"	89.066147	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1058216"	59.71319	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1264271"	187.169286	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"380662"	347.234758	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"744937"	501.370558	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1546990"	193.098958	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+K"	38.963158
"307444"	174.121017	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"696586"	251.188917	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1451498"	97.053117	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"241194"	350.305426	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1217184"	196.169626	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1204348"	98.588451	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"202089"	353.24276	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"640798"	507.37856	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1139199"	199.10696	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"180302"	177.125018	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"619862"	254.192918	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1124462"	100.057118	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1409809"	67.040504	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1436820"	201.148546	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"228704"	182.15804	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1520045"	215.20059	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"419737"	185.111988	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"780737"	262.179888	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1677438"	108.044088	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"263231"	372.287368	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1233024"	218.151568	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1720817"	218.175093	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1185077"	74.367818	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1659344"	223.130488	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"169487"	385.19064	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"611959"	539.32644	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1095741"	231.05484	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"148183"	193.098958	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"585556"	270.166858	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1082100"	116.031058	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1107655"	233.069392	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1344041"	233.157007	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1009289"	237.196176	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1528505"	238.189808	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1003712"	119.101726	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1600400"	239.104428	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1424969"	269.135938	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1159629"	139.615001	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1710273"	286.162485	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1648840"	291.11788	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1585947"	307.09182	"C11384"	"(S)-(-)-Citronellal;(S)-37-Dimethyloct-6-enal"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"809755"	156.1514	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M"	0
"986567"	137.13301	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-H2O-H"	-19.01839
"69343"	103.093657333333	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M-3H"	-3.021828
"509995"	155.144124	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M-3H"	-3.021828
"886703"	51.0431906666667	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-3H"	-3.021828
"9649"	155.144124	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M-2H"	-2.014552
"445931"	233.219824	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M-2H"	-2.014552
"829203"	77.068424	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-2H"	-2.014552
"91384"	311.295524	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M-H"	-1.007276
"531796"	467.446924	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M-H"	-1.007276
"910817"	155.144124	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-H"	-1.007276
"62515"	328.322071	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M-2H+NH4"	16.019271
"497210"	484.473471	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M-2H+NH4"	16.019271
"875742"	172.170671	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-2H+NH4"	16.019271
"40727"	333.277466	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M-2H+Na"	20.974666
"482476"	489.428866	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M-2H+Na"	20.974666
"853717"	177.126066	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-2H+Na"	20.974666
"1624343"	177.126066	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Na-2H"	20.974666
"104155"	173.132463	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M-H+Cl"	33.962126
"539342"	251.208163	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M-H+Cl"	33.962126
"929576"	95.056763	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-H+Cl"	33.962126
"269595"	347.272202	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+Cl"	34.969402
"671496"	503.423602	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+Cl"	34.969402
"1279525"	191.120802	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Cl"	34.969402
"23175"	349.251406	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M-2H+K"	36.948606
"464924"	505.402806	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M-2H+K"	36.948606
"840539"	193.100006	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-2H+K"	36.948606
"1559651"	193.100006	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+K-2H"	36.948606
"957016"	201.149594	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-H+HCOOH"	44.998194
"369033"	357.301001	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+HCOOH-H"	44.998201
"354010"	371.316651	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+Hac-H"	59.013851
"1497738"	215.165251	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Hac-H"	59.013851
"973308"	223.131551	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-H+NaCOOH"	66.980151
"123309"	191.120802	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+2Cl"	69.938804
"556669"	269.196502	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+2Cl"	69.938804
"1027655"	113.045102	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2Cl"	69.938804
"1245410"	235.070285	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Br"	78.918885
"1308586"	237.126272	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Cl+HCOOH"	80.974872
"1324265"	259.108229	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Cl+NaCOOH"	102.956829
"920427"	269.136986	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M-H+CF3COOH"	112.985586
"1292394"	305.113664	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Cl+CF3COOH"	148.962264
"1373108"	121.138724	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H-2H2O"	-35.012676
"1396441"	139.1487	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H-H2O"	-17.0027
"296129"	313.310076	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+H"	1.007276
"691106"	469.461476	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+H"	1.007276
"1360159"	157.158676	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H"	1.007276
"135238"	157.158676	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+2H"	2.014552
"572615"	235.234376	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+2H"	2.014552
"1042508"	79.082976	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2H"	2.014552
"214784"	105.108209333333	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+3H"	3.021828
"657992"	157.158676	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+3H"	3.021828
"1172473"	53.0577426666667	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+3H"	3.021828
"435745"	330.336623	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+NH4"	18.033823
"798928"	486.488023	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+NH4"	18.033823
"1696355"	174.185223	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+NH4"	18.033823
"331142"	165.6719495	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+H+NH4"	19.041099
"727210"	243.7476495	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+H+NH4"	19.041099
"1482123"	87.5962495	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H+NH4"	19.041099
"402989"	335.292018	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+Na"	22.989218
"766899"	491.443418	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+Na"	22.989218
"1607709"	179.140618	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Na"	22.989218
"318480"	168.149647	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+H+Na"	23.996494
"713450"	246.225347	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+H+Na"	23.996494
"1462528"	90.073947	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H+Na"	23.996494
"1058697"	60.3850566666667	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2H+Na"	25.00377
"1269126"	189.184886	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+CH3OH+H"	33.033486
"384054"	351.265958	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+K"	38.963158
"740675"	507.417358	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+K"	38.963158
"1543820"	195.114558	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+K"	38.963158
"300629"	176.136617	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+H+K"	39.970434
"693415"	254.212317	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+H+K"	39.970434
"1449424"	98.060917	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H+K"	39.970434
"245681"	354.336626	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+ACN+H"	42.033826
"1220577"	198.185226	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+ACN+H"	42.033826
"1202278"	99.596251	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+ACN+2H"	43.041102
"202437"	357.27396	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+2Na-H"	44.97116
"636897"	513.42536	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+2Na-H"	44.97116
"1139308"	201.12256	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2Na-H"	44.97116
"177132"	179.140618	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+2Na"	45.978436
"619974"	257.216318	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+2Na"	45.978436
"1123478"	101.064918	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2Na"	45.978436
"1404815"	67.7123706666667	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H+2Na"	46.985712
"1434746"	203.164146	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H+HCOOH"	47.012746
"224440"	184.17364	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+3H2O+2H"	56.04448
"1517978"	217.21619	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+IsoProp+H"	61.06479
"414385"	187.127588	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+Na+K"	61.952376
"784014"	265.203288	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+Na+K"	61.952376
"1677186"	109.051888	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Na+K"	61.952376
"260427"	376.318568	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+ACN+Na"	64.015768
"1238603"	220.167168	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+ACN+Na"	64.015768
"1725302"	220.190693	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+NH4+HCOOH"	64.039293
"1186282"	75.0396846666667	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+3Na"	68.967654
"1655080"	225.146088	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Na+HCOOH"	68.994688
"166315"	389.22184	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+2K-H"	76.91904
"611342"	545.37324	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+2K-H"	76.91904
"1096945"	233.07044	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2K-H"	76.91904
"149387"	195.114558	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"2M+2K"	77.926316
"590041"	273.190258	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"3M+2K"	77.926316
"1073461"	117.038858	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2K"	77.926316
"1105578"	235.084992	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2K+H"	78.933592
"1339777"	235.172607	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+DMSO+H"	79.021207
"1011585"	239.211776	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2ACN+H"	83.060376
"1536280"	240.205408	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+IsoProp+Na+H"	84.054008
"1003822"	120.109526	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+2ACN+2H"	84.067652
"1596138"	241.120028	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+K+HCOOH"	84.968628
"1425077"	271.151538	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+H+CF3COOH"	115.000138
"1156458"	140.622801	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+3ACN+2H"	125.094202
"1707103"	288.178085	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+NH4+CF3COOH"	132.026685
"1641659"	293.13348	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+Na+CF3COOH"	136.98208
"1586058"	309.10742	"C11386"	"(-)-Citronellol"	"C10H20O"	"156.1514"	"M+K+CF3COOH"	152.95602
"812052"	152.1201	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M"	0
"981210"	133.10171	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"68359"	100.406124	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"510105"	151.112824	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"884626"	49.699424	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"5386"	151.112824	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"446041"	227.172874	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"828220"	75.052774	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"88212"	303.232924	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"527773"	455.353024	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"906667"	151.112824	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"61041"	320.259471	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"499506"	472.379571	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"878039"	168.139371	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"40836"	325.214866	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"483679"	477.334966	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"854919"	173.094766	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1623358"	173.094766	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"100985"	169.101163	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"538723"	245.161213	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"930779"	93.041113	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"274079"	339.209602	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"671606"	491.329702	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1281823"	187.089502	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"25472"	341.188806	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"466128"	493.308906	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"843930"	189.068706	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1564136"	189.068706	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"954939"	197.118294	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"371331"	349.238401	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"353025"	363.254051	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1497484"	211.133951	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"972326"	219.100251	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"122326"	187.089502	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"558966"	263.149552	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1031045"	111.029452	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1248800"	231.038985	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1309061"	233.094972	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1325467"	255.076929	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"918349"	265.105686	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1292140"	301.082364	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1368478"	117.107424	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1396187"	135.1174	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"297697"	305.247476	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"691134"	457.367576	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1359175"	153.127376	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"136077"	153.127376	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"574913"	229.187426	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1045898"	77.067326	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"214894"	102.420676	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"658099"	153.127376	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1175501"	51.713976	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"437677"	322.274023	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"799404"	474.394123	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1696426"	170.153923	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"331618"	161.6406495	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"724768"	237.7006995	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1480047"	85.5805995	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"403099"	327.229418	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"767374"	479.349518	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1610006"	175.109318	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"318956"	164.118347	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"714653"	240.178397	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1463732"	88.058297	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1058443"	59.04129	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1269964"	185.153586	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"384164"	343.203358	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"740785"	495.323458	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1545023"	191.083258	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"303290"	172.105317	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"694253"	248.165367	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1449534"	96.045267	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"245791"	346.274026	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1217407"	194.153926	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1203481"	97.580601	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"203277"	349.21136	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"637007"	501.33146	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1139417"	197.09126	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"179428"	175.109318	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"617896"	251.169368	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1122495"	99.049268	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1406018"	66.368604	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1437042"	199.132846	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"230016"	180.14234	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1518088"	213.18489	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"413402"	183.096288	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"782423"	259.156338	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1677297"	107.036238	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"260537"	368.255968	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1236525"	216.135868	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1724319"	216.159393	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1187485"	73.695918	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1655190"	221.114788	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"163145"	381.15924	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"607078"	533.27934	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1094870"	229.03914	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"152777"	191.083258	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"590152"	267.143308	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1073572"	115.023208	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1103500"	231.053692	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1340979"	231.141307	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1011695"	235.180476	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1536756"	236.174108	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1002839"	118.093876	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1596248"	237.088728	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1421907"	267.120238	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1156568"	138.607151	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1706120"	284.146785	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1641769"	289.10218	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1586168"	305.07612	"C11387"	"(1S4R)-()-Fenchone;()-Fenchone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"812162"	154.1358	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M"	0
"980227"	135.11741	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"68469"	101.749924	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"510215"	153.128524	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"884735"	50.371324	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"6590"	153.128524	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"442871"	230.196424	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828330"	76.060624	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"88322"	307.264324	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"525695"	461.400124	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"907869"	153.128524	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"53496"	324.290871	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"493055"	478.426671	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"878149"	170.155071	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"43133"	329.246266	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"477227"	483.382066	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"856123"	175.110466	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1622376"	175.110466	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"97813"	171.116863	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"541019"	248.184763	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"931984"	94.048963	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"273825"	343.241002	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"669527"	497.376802	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1283026"	189.105202	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"24488"	345.220206	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"466238"	499.356006	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"843676"	191.084406	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1563153"	191.084406	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"956142"	199.133994	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"372534"	353.269801	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"350948"	367.285451	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1497957"	213.149651	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"967324"	221.115951	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"123895"	189.105202	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"560169"	266.173102	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1031155"	112.037302	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1248546"	233.054685	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1308806"	235.110672	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1324119"	257.092629	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"917365"	267.121386	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1290062"	303.098064	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1367614"	119.123124	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1395204"	137.1331	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"298255"	309.278876	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"691330"	463.414676	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1360014"	155.143076	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H"	1.007276
"135823"	155.143076	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"575752"	232.210976	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1047101"	78.075176	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"213911"	103.764476	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"658573"	155.143076	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1176342"	52.385876	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"438517"	326.305423	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"800608"	480.441223	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696778"	172.169623	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"332821"	163.6563495	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"726337"	240.7242495	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1482343"	86.5884495	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"399929"	331.260818	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"765297"	485.396618	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1609023"	177.125018	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"318332"	166.134047	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"712577"	243.201947	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1463236"	89.066147	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1057456"	59.71319	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1262413"	187.169286	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"383179"	347.234758	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"745268"	501.370558	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1546226"	193.098958	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+K"	38.963158
"306678"	174.121017	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"696549"	251.188917	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449644"	97.053117	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"239341"	350.305426	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1216423"	196.169626	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1206870"	98.588451	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"201927"	353.24276	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"637117"	507.37856	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1138434"	199.10696	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"178446"	177.125018	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"618006"	254.192918	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1121511"	100.057118	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1405035"	67.040504	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1437152"	201.148546	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"230126"	182.15804	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1521477"	215.20059	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422257"	185.111988	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"782897"	262.179888	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1678133"	108.044088	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"263927"	372.287368	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1234448"	218.151568	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1723336"	218.175093	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1186502"	74.367818	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1657487"	223.130488	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"166535"	385.19064	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"611562"	539.32644	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1097775"	231.05484	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"152887"	193.098958	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"592449"	270.166858	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1079148"	116.031058	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1106890"	233.069392	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1341090"	233.157007	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1011805"	237.196176	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1536499"	238.189808	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1003315"	119.101726	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1598545"	239.104428	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1425297"	269.135938	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1156678"	139.615001	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1707323"	286.162485	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641879"	291.11788	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1586278"	307.09182	"C11388"	"(-)-Linalool;(R)-(-)-Linalool;(3R)-Linalool"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"808992"	154.1358	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M"	0
"980337"	135.11741	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"65299"	101.749924	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"510325"	153.128524	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"882659"	50.371324	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"6700"	153.128524	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"442981"	230.196424	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828440"	76.060624	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"90618"	307.264324	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"522525"	461.400124	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"905792"	153.128524	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"52513"	324.290871	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"497539"	478.426671	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"875343"	170.155071	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"39963"	329.246266	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"476244"	483.382066	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"854044"	175.110466	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1624674"	175.110466	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"97922"	171.116863	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"540765"	248.184763	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"933190"	94.048963	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"273935"	343.241002	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"668544"	497.376802	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1282043"	189.105202	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"21318"	345.220206	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"461971"	499.356006	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"840870"	191.084406	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1563262"	191.084406	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"946406"	199.133994	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"364987"	353.269801	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"347778"	367.285451	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1496610"	213.149651	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"968527"	221.115951	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"124733"	189.105202	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"556999"	266.173102	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1031265"	112.037302	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1251936"	233.054685	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1310374"	235.110672	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1322406"	257.092629	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"914193"	267.121386	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1290172"	303.098064	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1367195"	119.123124	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1395678"	137.1331	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"296823"	309.278876	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"689610"	463.414676	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1357207"	155.143076	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H"	1.007276
"132286"	155.143076	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"569658"	232.210976	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1039551"	78.075176	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"209640"	103.764476	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"658683"	155.143076	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1176084"	52.385876	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"437168"	326.305423	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"799986"	480.441223	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696319"	172.169623	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"334024"	163.6563495	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"730820"	240.7242495	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1483546"	86.5884495	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"400039"	331.260818	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"764314"	485.396618	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1611320"	177.125018	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"317349"	166.134047	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"712687"	243.201947	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1462736"	89.066147	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1055379"	59.71319	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1260336"	187.169286	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"383287"	347.234758	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"745378"	501.370558	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1547428"	193.098958	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+K"	38.963158
"303509"	174.121017	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"694473"	251.188917	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449754"	97.053117	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"238357"	350.305426	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1214346"	196.169626	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1204794"	98.588451	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"200944"	353.24276	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"637227"	507.37856	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1135265"	199.10696	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"177462"	177.125018	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"618116"	254.192918	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1120528"	100.057118	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1404051"	67.040504	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1436169"	201.148546	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"229143"	182.15804	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1517214"	215.20059	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"419086"	185.111988	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"775714"	262.179888	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1667791"	108.044088	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265495"	372.287368	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1237838"	218.151568	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1721255"	218.175093	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1183332"	74.367818	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1659783"	223.130488	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"167737"	385.19064	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"612605"	539.32644	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1098370"	231.05484	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"152997"	193.098958	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"592559"	270.166858	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1079258"	116.031058	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1107000"	233.069392	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1343386"	233.157007	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1011915"	237.196176	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1538312"	238.189808	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1003788"	119.101726	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1598655"	239.104428	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1426500"	269.135938	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1156788"	139.615001	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1707433"	286.162485	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641989"	291.11788	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1586388"	307.09182	"C11389"	"()-Linalool;(S)-()-Linalool;(3S)-Linalool"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"809102"	154.1358	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M"	0
"980447"	135.11741	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"66503"	101.749924	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"510436"	153.128524	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"888235"	50.371324	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"10090"	153.128524	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"448558"	230.196424	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828550"	76.060624	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"88542"	307.264324	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"529196"	461.400124	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"902623"	153.128524	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"60278"	324.290871	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"497650"	478.426671	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"873267"	170.155071	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"40074"	329.246266	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"476355"	483.382066	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"851969"	175.110466	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1622598"	175.110466	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"100219"	171.116863	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"538686"	248.184763	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"938768"	94.048963	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"274045"	343.241002	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"673028"	497.376802	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1284339"	189.105202	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"21428"	345.220206	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"465361"	499.356006	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"843896"	191.084406	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1563372"	191.084406	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"952349"	199.133994	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"369471"	353.269801	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"348252"	367.285451	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1501095"	213.149651	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"967544"	221.115951	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"120825"	189.105202	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"553464"	266.173102	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1033927"	112.037302	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1252046"	233.054685	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1309391"	235.110672	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1324704"	257.092629	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"914303"	267.121386	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1290282"	303.098064	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1367588"	119.123124	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1395788"	137.1331	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"296933"	309.278876	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"687533"	463.414676	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1356225"	155.143076	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H"	1.007276
"129116"	155.143076	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"570863"	232.210976	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1044036"	78.075176	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"213031"	103.764476	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"658793"	155.143076	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1177408"	52.385876	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"439099"	326.305423	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"800339"	480.441223	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696064"	172.169623	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"339602"	163.6563495	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"729835"	240.7242495	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1484750"	86.5884495	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"403430"	331.260818	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"762237"	485.396618	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1609244"	177.125018	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"316001"	166.134047	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"712797"	243.201947	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1463697"	89.066147	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1055489"	59.71319	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1258016"	187.169286	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"383397"	347.234758	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"743298"	501.370558	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1546445"	193.098958	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+K"	38.963158
"304712"	174.121017	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"694947"	251.188917	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449864"	97.053117	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"238831"	350.305426	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1216642"	196.169626	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1204904"	98.588451	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"199961"	353.24276	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"638430"	507.37856	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1137562"	199.10696	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"176479"	177.125018	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"618223"	254.192918	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1121367"	100.057118	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1403066"	67.040504	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1434092"	201.148546	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"229253"	182.15804	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1520602"	215.20059	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422474"	185.111988	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"776917"	262.179888	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1669966"	108.044088	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"266698"	372.287368	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1236855"	218.151568	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1722458"	218.175093	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1184536"	74.367818	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1659893"	223.130488	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"168941"	385.19064	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"610689"	539.32644	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1098479"	231.05484	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"153108"	193.098958	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"590482"	270.166858	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1074994"	116.031058	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1111486"	233.069392	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1342404"	233.157007	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1015306"	237.196176	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1531248"	238.189808	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1003164"	119.101726	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1598761"	239.104428	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1426610"	269.135938	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1156898"	139.615001	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1705355"	286.162485	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1643192"	291.11788	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1586498"	307.09182	"C11390"	"()-Menthone"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"812492"	136.1252	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M"	0
"980557"	117.10681	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"68800"	89.7428573333333	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"509453"	135.117924	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"890534"	44.3677906666667	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"13119"	135.117924	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"450855"	203.180524	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"827567"	67.055324	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"88652"	271.243124	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"531493"	407.368324	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"906013"	135.117924	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"59295"	288.269671	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"499948"	424.394871	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"875564"	152.144471	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"43464"	293.225066	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"475736"	429.350266	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"852080"	157.099866	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1622708"	157.099866	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"99236"	153.106263	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"540986"	221.168863	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"937784"	85.043663	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"276342"	307.219802	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"672046"	443.345002	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1285179"	171.094602	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"24817"	309.199006	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"467660"	445.324206	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"839991"	173.073806	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1566759"	173.073806	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"954644"	181.123394	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"368488"	317.248601	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"349091"	331.264251	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1500476"	195.139051	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"966562"	203.105351	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"119843"	171.094602	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"553938"	239.157202	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1031486"	103.032002	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1250334"	215.044085	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1310230"	217.100072	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1321896"	239.082029	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"912142"	249.110786	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1291485"	285.087464	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1369404"	101.112524	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1395777"	119.1225	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"296922"	273.257676	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"689830"	409.382876	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1355241"	137.132476	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H"	1.007276
"132506"	137.132476	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"570973"	205.195076	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1041959"	69.069876	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"215328"	91.7574093333333	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"655987"	137.132476	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1175210"	46.3823426666667	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"435200"	290.284223	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"796923"	426.409423	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1692525"	154.159023	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"337526"	145.6457495	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"731037"	213.7083495	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1481578"	77.5831495	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"400258"	295.239618	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"763440"	431.364818	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1612631"	159.114418	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"318299"	148.123447	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"711814"	216.186047	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462718"	80.060847	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1054506"	53.7096566666667	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1261650"	169.158686	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"384601"	311.213558	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"747782"	447.338758	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1548743"	175.088358	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K"	38.963158
"305918"	156.110417	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"696154"	224.173017	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1454348"	88.047817	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"246231"	314.284226	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1218938"	178.159026	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1206108"	89.583151	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"201164"	317.22156	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"634167"	453.34676	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1137671"	181.09636	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"177680"	159.114418	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"618333"	227.177018	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1123663"	91.051818	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1407915"	61.0369706666667	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1435295"	183.137946	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"229728"	164.14744	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1521079"	197.18999	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"419307"	167.101388	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"777027"	235.163988	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1668251"	99.038788	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"264984"	336.266168	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1233682"	200.140968	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1721474"	200.164493	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1185738"	68.3642846666667	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1657817"	205.119888	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"171236"	349.16944	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"611407"	485.29464	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1096402"	213.04424	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"153218"	175.088358	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"588405"	243.150958	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1075104"	107.025758	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1109409"	215.058792	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1342514"	215.146407	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1013229"	219.185576	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1529171"	220.179208	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1004856"	110.096426	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1598871"	221.093828	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1422343"	251.125338	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1154818"	130.609701	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1704372"	268.151885	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1641115"	273.10728	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1586608"	289.08122	"C11391"	"(S)-()-alpha-Phellandrene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"804949"	136.1252	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M"	0
"980667"	117.10681	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"71097"	89.7428573333333	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"510658"	135.117924	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"892833"	44.3677906666667	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"8125"	135.117924	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"450966"	203.180524	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"828770"	67.055324	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"94033"	271.243124	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"531972"	407.368324	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"908313"	135.117924	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"58313"	288.269671	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"498966"	424.394871	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"875675"	152.144471	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"38108"	293.225066	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"476576"	429.350266	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"852190"	157.099866	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1623911"	157.099866	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"101535"	153.106263	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"541096"	221.168863	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"937894"	85.043663	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"274265"	307.219802	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"674342"	443.345002	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1285288"	171.094602	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"24929"	309.199006	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"465582"	445.324206	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"843382"	173.073806	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1565777"	173.073806	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"954754"	181.123394	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"365318"	317.248601	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"348107"	331.264251	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1505691"	195.139051	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"968858"	203.105351	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"121047"	171.094602	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"558424"	239.157202	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1029410"	103.032002	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1247530"	215.044085	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1309614"	217.100072	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1323100"	239.082029	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"912698"	249.110786	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1288606"	285.087464	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1367563"	101.112524	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1393457"	119.1225	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"297396"	273.257676	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"685201"	409.382876	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1352314"	137.132476	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H"	1.007276
"130430"	137.132476	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"575823"	205.195076	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1043163"	69.069876	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"214344"	91.7574093333333	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"659013"	137.132476	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1174227"	46.3823426666667	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"438592"	290.284223	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"797400"	426.409423	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1694824"	154.159023	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"338729"	145.6457495	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"731147"	213.7083495	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1482784"	77.5831495	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"402556"	295.239618	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"759177"	431.364818	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1610555"	159.114418	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"319503"	148.123447	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"713019"	216.186047	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1466837"	80.060847	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1060083"	53.7096566666667	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1262855"	169.158686	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"384708"	311.213558	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"747892"	447.338758	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1548853"	175.088358	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K"	38.963158
"304935"	156.110417	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"697357"	224.173017	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1454458"	88.047817	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"245248"	314.284226	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1219049"	178.159026	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1201843"	89.583151	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"199084"	317.22156	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"636464"	453.34676	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1137779"	181.09636	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"176697"	159.114418	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"616258"	227.177018	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1120856"	91.051818	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1407661"	61.0369706666667	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1434310"	183.137946	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"226192"	164.14744	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1521918"	197.18999	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"421603"	167.101388	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"777137"	235.163988	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1669091"	99.038788	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"265458"	336.266168	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1237074"	200.140968	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1726930"	200.164493	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1186941"	68.3642846666667	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1661206"	205.119888	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"172646"	349.16944	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"611519"	485.29464	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1099188"	213.04424	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"156247"	175.088358	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"590702"	243.150958	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1075214"	107.025758	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1110613"	215.058792	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1339342"	215.146407	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1014431"	219.185576	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1530374"	220.179208	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1003386"	110.096426	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1597887"	221.093828	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1427921"	251.125338	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1156022"	130.609701	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1712135"	268.151885	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1641225"	273.10728	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1586718"	289.08122	"C11392"	"(-)-beta-Phellandrene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"809434"	154.1358	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M"	0
"975432"	135.11741	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"63675"	101.749924	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"510766"	153.128524	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"886382"	50.371324	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"9330"	153.128524	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"449984"	230.196424	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"830343"	76.060624	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"91064"	307.264324	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"531716"	461.400124	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"906239"	153.128524	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"56237"	324.290871	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"496890"	478.426671	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"875788"	170.155071	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"38219"	329.246266	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"475593"	483.382066	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"853396"	175.110466	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1621835"	175.110466	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"99458"	171.116863	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"545582"	248.184763	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939829"	94.048963	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"277655"	343.241002	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"661330"	497.376802	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1283573"	189.105202	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"21758"	345.220206	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"466787"	499.356006	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"844586"	191.084406	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1562609"	191.084406	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"954864"	199.133994	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"367612"	353.269801	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"349311"	367.285451	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1502522"	213.149651	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"971159"	221.115951	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"121526"	189.105202	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"557075"	266.173102	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1022957"	112.037302	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1244357"	233.054685	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1309359"	235.110672	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321020"	257.092629	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"914996"	267.121386	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1289153"	303.098064	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1368408"	119.123124	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1390286"	137.1331	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"291432"	309.278876	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"685311"	463.414676	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1363118"	155.143076	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"130538"	155.143076	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"567913"	232.210976	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1043273"	78.075176	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"211175"	103.764476	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"646360"	155.143076	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1169958"	52.385876	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"436513"	326.305423	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"794227"	480.441223	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1691653"	172.169623	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"339933"	163.6563495	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"730167"	240.7242495	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1485079"	86.5884495	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"399386"	331.260818	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"760381"	485.396618	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1609573"	177.125018	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"319613"	166.134047	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"715316"	243.201947	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1470229"	89.066147	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1061288"	59.71319	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1268434"	187.169286	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"387007"	347.234758	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"746909"	501.370558	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1547870"	193.098958	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"309420"	174.121017	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"696374"	251.188917	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1453477"	97.053117	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"245358"	350.305426	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1218068"	196.169626	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1199767"	98.588451	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"197009"	353.24276	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"637667"	507.37856	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1136797"	199.10696	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"176808"	177.125018	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"619650"	254.192918	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1122062"	100.057118	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1408501"	67.040504	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1436606"	201.148546	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"227397"	182.15804	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1523123"	215.20059	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422444"	185.111988	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"780527"	262.179888	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1669201"	108.044088	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265448"	372.287368	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1237915"	218.151568	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1724975"	218.175093	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1190330"	74.367818	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1663142"	223.130488	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"171457"	385.19064	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"611869"	539.32644	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1099586"	231.05484	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"153439"	193.098958	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"595917"	270.166858	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1081885"	116.031058	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1111817"	233.069392	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1342733"	233.157007	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1010168"	237.196176	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1531577"	238.189808	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1004352"	119.101726	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1600186"	239.104428	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1425844"	269.135938	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1160507"	139.615001	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1710059"	286.162485	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1646801"	291.11788	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1586828"	307.09182	"C11393"	"(-)-alpha-Terpineol;(L)-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"804075"	150.1045	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M"	0
"975420"	131.08611	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"68033"	99.0623906666667	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"508688"	149.097224	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"886493"	49.0275573333333	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"6159"	149.097224	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"451190"	224.149474	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"827901"	74.044974	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"92264"	299.201724	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"531826"	449.306224	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"906348"	149.097224	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"58174"	316.228271	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"499556"	466.332771	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"876629"	166.123771	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"42706"	321.183666	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"476799"	471.288166	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"850224"	171.079166	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1621946"	171.079166	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"99571"	167.085563	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"547883"	242.137813	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"939211"	92.033313	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"276672"	335.178402	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"668001"	485.282902	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1281497"	185.073902	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"27335"	337.157606	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"470177"	487.262106	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"840324"	187.053106	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1560532"	187.053106	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"951694"	195.102694	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"371002"	345.207201	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"357083"	359.222851	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1500447"	209.118351	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"970178"	217.084651	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"121273"	185.073902	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"552083"	260.126152	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1023432"	110.021652	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1243008"	229.023385	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1305096"	231.079372	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1321130"	253.061329	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"914377"	263.090086	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1290356"	299.066764	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1367791"	115.091824	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1389304"	133.1018	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"288990"	301.216276	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"680318"	451.320776	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1355574"	151.111776	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"130286"	151.111776	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"570209"	226.164026	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1040104"	76.059526	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"211285"	101.076942666667	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"657049"	151.111776	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1168975"	51.0421093333333	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"434438"	318.242823	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"794339"	468.347323	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1690668"	168.138323	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"337854"	159.6250495	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"726995"	234.6772995	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1481911"	84.5727995	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"394393"	323.198218	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"761588"	473.302718	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1608593"	173.093718	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"316807"	162.102747	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"709957"	237.154997	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1462316"	87.050497	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1055561"	58.3694233333333	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1264167"	183.137986	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"381648"	339.172158	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"743738"	489.276658	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1543605"	189.067658	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"302967"	170.089717	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"696482"	245.141967	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1450308"	95.037467	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"242190"	342.242826	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1214900"	192.138326	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1198783"	96.572801	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"200404"	345.18016	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"635591"	495.28466	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1136910"	195.07566	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"180200"	173.093718	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"620489"	248.145968	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1121076"	98.041468	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1401442"	65.6967373333333	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1430642"	197.117246	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"233709"	178.12674	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1521771"	211.16929	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"421826"	181.080688	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"778450"	256.132938	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1676971"	106.028438	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"262396"	364.224768	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1239357"	214.120268	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1726178"	214.143793	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1193965"	73.0240513333333	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1664951"	219.099188	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"169381"	377.12804	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"612103"	527.23254	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1097826"	227.02354	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"157069"	189.067658	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"594204"	264.119908	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1079811"	114.015408	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1113021"	229.038092	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1342844"	229.125707	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1020125"	233.164876	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1537159"	234.158508	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1004943"	117.086076	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1598108"	235.073128	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1419392"	265.104638	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1148222"	137.599351	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1705794"	282.131185	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1643631"	287.08658	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1586938"	303.06052	"C11394"	"()-Chrysanthenone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"810743"	152.1201	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M"	0
"974959"	133.10171	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"64134"	100.406124	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"503204"	151.112824	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"885510"	49.699424	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"8458"	151.112824	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"450208"	227.172874	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"822544"	75.052774	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"84721"	303.232924	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"524282"	455.353024	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"903177"	151.112824	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"53180"	320.259471	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"494927"	472.379571	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"870542"	168.139371	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"32002"	325.214866	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"473629"	477.334966	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"849606"	173.094766	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1620963"	173.094766	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"99681"	169.101163	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"545807"	245.161213	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"938957"	93.041113	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"276782"	339.209602	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"668111"	491.329702	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1281607"	187.089502	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"27445"	341.188806	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"468102"	493.308906	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"838247"	189.068706	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1558455"	189.068706	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"951804"	197.118294	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"371112"	349.238401	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"353912"	363.254051	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1497277"	211.133951	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"963726"	219.100251	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"119193"	187.089502	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"552193"	263.149552	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1022085"	111.029452	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1241357"	231.038985	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1304842"	233.094972	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1320023"	255.076929	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"913028"	265.105686	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1289373"	301.082364	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1367051"	117.107424	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1389414"	135.1174	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"289100"	305.247476	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"682615"	457.367576	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1355684"	153.127376	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"133676"	153.127376	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"570319"	229.187426	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1040214"	77.067326	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"211395"	102.420676	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"653146"	153.127376	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1169085"	51.713976	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"435641"	322.274023	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"797365"	474.394123	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1689685"	170.153923	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"339058"	161.6406495	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"728199"	237.7006995	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1482385"	85.5805995	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"394503"	327.229418	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"760969"	479.349518	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1609796"	175.109318	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"317647"	164.118347	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"707879"	240.178397	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1462182"	88.058297	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1058225"	59.04129	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1259174"	185.153586	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"379571"	343.203358	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"746033"	495.323458	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1546993"	191.083258	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"301252"	172.105317	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"693310"	248.165367	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1446769"	96.045267	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"239016"	346.274026	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1211727"	194.153926	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1194882"	97.580601	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"191764"	349.21136	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"631325"	501.33146	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1132887"	197.09126	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"173868"	175.109318	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"615616"	251.169368	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1117905"	99.049268	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1399242"	66.368604	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1435733"	199.132846	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"220691"	180.14234	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1513495"	213.18489	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"421936"	183.096288	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"774185"	259.156338	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1672704"	107.036238	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"262505"	368.255968	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1236308"	216.135868	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1721914"	216.159393	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1190548"	73.695918	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1663722"	221.114788	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"171803"	381.15924	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"610144"	533.27934	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1097816"	229.03914	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"155483"	191.083258	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"589937"	267.143308	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1078828"	115.023208	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1107663"	231.053692	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1335905"	231.141307	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1008204"	235.180476	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1531797"	236.174108	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"997153"	118.093876	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1589469"	237.088728	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1414314"	267.120238	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1147596"	138.607151	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1697308"	284.146785	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1634221"	289.10218	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1572830"	305.07612	"C11395"	"(4R6R)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"810853"	154.1358	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"976001"	135.11741	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"67160"	101.749924	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"503564"	153.128524	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"884526"	50.371324	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"11849"	153.128524	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"448132"	230.196424	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"823747"	76.060624	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"83738"	307.264324	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"519287"	461.400124	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"901101"	153.128524	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"52196"	324.290871	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"488718"	478.426671	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"870652"	170.155071	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"32719"	329.246266	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"479207"	483.382066	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"850447"	175.110466	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1622166"	175.110466	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"98695"	171.116863	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"547011"	248.184763	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"940524"	94.048963	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"277985"	343.241002	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"668221"	497.376802	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1281717"	189.105202	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"27555"	345.220206	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"467120"	499.356006	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"840545"	191.084406	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1564032"	191.084406	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"951914"	199.133994	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"371222"	353.269801	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"352925"	367.285451	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1502852"	213.149651	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"963836"	221.115951	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"118210"	189.105202	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"552303"	266.173102	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1025110"	112.037302	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1243958"	233.054685	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1305073"	235.110672	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321715"	257.092629	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"914595"	267.121386	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1291305"	303.098064	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1369468"	119.123124	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1393899"	137.1331	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"289210"	309.278876	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"681632"	463.414676	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1359075"	155.143076	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"134150"	155.143076	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"571524"	232.210976	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1040324"	78.075176	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"211505"	103.764476	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"653256"	155.143076	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1174664"	52.385876	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"436844"	326.305423	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"794563"	480.441223	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1691981"	172.169623	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"338075"	163.6563495	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"731588"	240.7242495	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1482131"	86.5884495	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"396435"	331.260818	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"759251"	485.396618	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1610997"	177.125018	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"315563"	166.134047	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"708229"	243.201947	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1462047"	89.066147	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1054201"	59.71319	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1258310"	187.169286	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"378951"	347.234758	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"739947"	501.370558	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1541272"	193.098958	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"301729"	174.121017	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"693785"	251.188917	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1448336"	97.053117	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"242411"	350.305426	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1215117"	196.169626	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1201191"	98.588451	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"194060"	353.24276	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"634717"	507.37856	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1134944"	199.10696	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"174953"	177.125018	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"614511"	254.192918	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1116193"	100.057118	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1401538"	67.040504	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1430498"	201.148546	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"220599"	182.15804	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1512512"	215.20059	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422899"	185.111988	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"778670"	262.179888	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1670627"	108.044088	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"261521"	372.287368	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1236417"	218.151568	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1722023"	218.175093	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1186284"	74.367818	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1662737"	223.130488	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"170333"	385.19064	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"610258"	539.32644	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1098411"	231.05484	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"152674"	193.098958	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"596246"	270.166858	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1081122"	116.031058	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1109958"	233.069392	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1345251"	233.157007	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1017794"	237.196176	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1537013"	238.189808	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1001637"	119.101726	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1592859"	239.104428	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1414217"	269.135938	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1147266"	139.615001	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1703826"	286.162485	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1640571"	291.11788	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1572940"	307.09182	"C11396"	"(1R2R4R)-Dihydrocarveol;(-)-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"816716"	154.1358	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"986686"	135.11741	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"73832"	101.749924	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"507928"	153.128524	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"885730"	50.371324	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"8679"	153.128524	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"450429"	230.196424	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"822762"	76.060624	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"83848"	307.264324	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"521223"	461.400124	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"904492"	153.128524	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"56680"	324.290871	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"489680"	478.426671	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"868575"	170.155071	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"34285"	329.246266	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"476038"	483.382066	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"856026"	175.110466	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1623371"	175.110466	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"97714"	171.116863	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"546025"	248.184763	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939542"	94.048963	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"278097"	343.241002	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"670518"	497.376802	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1285112"	189.105202	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"25849"	345.220206	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"466868"	499.356006	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"840655"	191.084406	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1569609"	191.084406	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"955304"	199.133994	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"371332"	353.269801	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"353399"	367.285451	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1500776"	213.149651	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"968320"	221.115951	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"116134"	189.105202	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"553507"	266.173102	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1022667"	112.037302	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1242367"	233.054685	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1304281"	235.110672	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1320731"	257.092629	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"915068"	267.121386	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1290685"	303.098064	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1370307"	119.123124	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1394009"	137.1331	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"289321"	309.278876	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"685022"	463.414676	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1359185"	155.143076	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"134260"	155.143076	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"571634"	232.210976	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1040434"	78.075176	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"205418"	103.764476	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"653366"	155.143076	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1168210"	52.385876	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"437319"	326.305423	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"794673"	480.441223	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1692091"	172.169623	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"335995"	163.6563495	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"729509"	240.7242495	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1487704"	86.5884495	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"400918"	331.260818	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"761915"	485.396618	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1611107"	177.125018	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"317135"	166.134047	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"708706"	243.201947	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1464106"	89.066147	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1054797"	59.71319	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1259031"	187.169286	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"380886"	347.234758	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"746254"	501.370558	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1543935"	193.098958	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"300382"	174.121017	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"693533"	251.188917	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1451726"	97.053117	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"245801"	350.305426	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1215227"	196.169626	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1200209"	98.588451	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"194171"	353.24276	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"629844"	507.37856	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1132133"	199.10696	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"174452"	177.125018	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"614744"	254.192918	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1115938"	100.057118	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1399826"	67.040504	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1430849"	201.148546	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"220297"	182.15804	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1513715"	215.20059	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"423129"	185.111988	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"780966"	262.179888	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1678392"	108.044088	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"266005"	372.287368	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1237622"	218.151568	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1718853"	218.175093	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1188583"	74.367818	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1660661"	223.130488	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"171169"	385.19064	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"603803"	539.32644	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1098156"	231.05484	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"155339"	193.098958	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"594533"	270.166858	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1075765"	116.031058	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1110068"	233.069392	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1342081"	233.157007	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1017904"	237.196176	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1533113"	238.189808	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1000654"	119.101726	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1590783"	239.104428	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1414229"	269.135938	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1147059"	139.615001	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1697618"	286.162485	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1638494"	291.11788	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1573414"	307.09182	"C11397"	"(1R2S4R)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"814353"	152.1201	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M"	0
"987889"	133.10171	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"72852"	100.406124	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"511318"	151.112824	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"886933"	49.699424	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"12069"	151.112824	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"452726"	227.172874	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"823966"	75.052774	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"85051"	303.232924	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"525707"	455.353024	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"905697"	151.112824	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"54604"	320.259471	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"494164"	472.379571	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"873058"	168.139371	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"34398"	325.214866	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"478335"	477.334966	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"859417"	173.094766	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1624574"	173.094766	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"101104"	169.101163	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"545044"	245.161213	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"938557"	93.041113	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"279305"	339.209602	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"671726"	491.329702	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1284495"	187.089502	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"27052"	341.188806	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"465156"	493.308906	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"846232"	189.068706	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1570450"	189.068706	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"957237"	197.118294	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"373629"	349.238401	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"353145"	363.254051	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1503802"	211.133951	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"966244"	219.100251	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"115151"	187.089502	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"551914"	263.149552	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1022898"	111.029452	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1242353"	231.038985	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1304558"	233.094972	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1323393"	255.076929	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"915543"	265.105686	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1294076"	301.082364	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1373332"	117.107424	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1394119"	135.1174	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"289431"	305.247476	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"685132"	457.367576	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1359295"	153.127376	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"134370"	153.127376	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"570650"	229.187426	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1040543"	77.067326	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"207351"	102.420676	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"652383"	153.127376	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1167227"	51.713976	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"438523"	322.274023	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"798061"	474.394123	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1691109"	170.153923	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"338292"	161.6406495	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"730713"	237.7006995	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1488908"	85.5805995	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"402123"	327.229418	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"760932"	479.349518	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1610124"	175.109318	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"316517"	164.118347	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"708574"	240.178397	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1464215"	88.058297	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1057458"	59.04129	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1259140"	185.153586	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"378809"	343.203358	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"741991"	495.323458	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1542219"	191.083258	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"300128"	172.105317	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"698016"	248.165367	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1458396"	96.045267	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"245906"	346.274026	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1218617"	194.153926	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1201413"	97.580601	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"195374"	349.21136	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"632749"	501.33146	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1133703"	197.09126	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"176263"	175.109318	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"618012"	251.169368	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1120424"	99.049268	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1400057"	66.368604	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1432050"	199.132846	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"221751"	180.14234	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1514918"	213.18489	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"421172"	183.096288	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"783989"	259.156338	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1678497"	107.036238	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"262835"	368.255968	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1237732"	216.135868	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1721150"	216.159393	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1190879"	73.695918	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1657491"	221.114788	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"169820"	381.15924	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"603913"	533.27934	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1097173"	229.03914	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"155326"	191.083258	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"592456"	267.143308	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1075875"	115.023208	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1110178"	231.053692	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1340004"	231.141307	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1015096"	235.180476	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1536139"	236.174108	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"999671"	118.093876	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1590893"	237.088728	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1415207"	267.120238	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1147055"	138.607151	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1697971"	284.146785	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1635324"	289.10218	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1571415"	305.07612	"C11398"	"(1R4R)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"816408"	154.1358	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"988732"	135.11741	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"77705"	101.749924	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"515803"	153.128524	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"894698"	50.371324	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"13276"	153.128524	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"452473"	230.196424	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"825170"	76.060624	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"90629"	307.264324	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"532013"	461.400124	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"908723"	153.128524	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"56900"	324.290871	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"495367"	478.426671	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"878271"	170.155071	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"41068"	329.246266	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"478445"	483.382066	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"859527"	175.110466	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1624685"	175.110466	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"103401"	171.116863	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"546979"	248.184763	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939398"	94.048963	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"279779"	343.241002	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"672564"	497.376802	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1285333"	189.105202	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"30808"	345.220206	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468183"	499.356006	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"844156"	191.084406	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1566549"	191.084406	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"956619"	199.133994	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"375563"	353.269801	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"356174"	367.285451	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1505007"	213.149651	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"971455"	221.115951	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"119634"	189.105202	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"551417"	266.173102	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1025443"	112.037302	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1243923"	233.054685	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1306010"	235.110672	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1323507"	257.092629	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"915293"	267.121386	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1292003"	303.098064	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1372717"	119.123124	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1394229"	137.1331	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"289541"	309.278876	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"683055"	463.414676	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1361593"	155.143076	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"138127"	155.143076	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"576228"	232.210976	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1043934"	78.075176	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"208555"	103.764476	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"653586"	155.143076	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1168431"	52.385876	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"438634"	326.305423	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"797077"	480.441223	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1691219"	172.169623	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"337309"	163.6563495	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"733010"	240.7242495	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1487926"	86.5884495	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"403325"	331.260818	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"764322"	485.396618	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1613514"	177.125018	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"317353"	166.134047	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"713786"	243.201947	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1466510"	89.066147	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1059755"	59.71319	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1261436"	187.169286	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"381106"	347.234758	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"746473"	501.370558	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1547435"	193.098958	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"302425"	174.121017	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"704687"	251.188917	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1458507"	97.053117	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"251080"	350.305426	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1220916"	196.169626	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1201521"	98.588451	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"199856"	353.24276	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"632861"	507.37856	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1138552"	199.10696	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"179653"	177.125018	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"619215"	254.192918	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1120532"	100.057118	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1401869"	67.040504	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1437264"	201.148546	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"221743"	182.15804	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1510656"	215.20059	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422375"	185.111988	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"784102"	262.179888	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1680066"	108.044088	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"260758"	372.287368	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1237840"	218.151568	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1720167"	218.175093	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1188801"	74.367818	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1663068"	223.130488	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"167744"	385.19064	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"610584"	539.32644	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1096922"	231.05484	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"151913"	193.098958	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"592567"	270.166858	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1079269"	116.031058	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1110289"	233.069392	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1339021"	233.157007	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1015206"	237.196176	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1530051"	238.189808	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"997592"	119.101726	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1591003"	239.104428	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1414836"	269.135938	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1150230"	139.615001	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1697717"	286.162485	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1636527"	291.11788	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1571568"	307.09182	"C11399"	"(1S2S4R)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"814573"	154.1358	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"989329"	135.11741	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"76355"	101.749924	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"516883"	153.128524	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"894686"	50.371324	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"15547"	153.128524	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"454405"	230.196424	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"831115"	76.060624	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"88553"	307.264324	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"525927"	461.400124	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"907374"	153.128524	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"58103"	324.290871	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"497667"	478.426671	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"877656"	170.155071	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"41178"	329.246266	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"481835"	483.382066	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"859637"	175.110466	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1624795"	175.110466	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"106792"	171.116863	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"545629"	248.184763	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"937684"	94.048963	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"279158"	343.241002	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"670853"	497.376802	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1285080"	189.105202	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"28367"	345.220206	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"469022"	499.356006	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"845726"	191.084406	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1568120"	191.084406	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"954908"	199.133994	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"376164"	353.269801	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"352271"	367.285451	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1503658"	213.149651	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"969742"	221.115951	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"123392"	189.105202	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"552743"	266.173102	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1029199"	112.037302	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1243673"	233.054685	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1307216"	235.110672	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321793"	257.092629	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"915769"	267.121386	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1296488"	303.098064	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1378295"	119.123124	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1391059"	137.1331	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"292931"	309.278876	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"683166"	463.414676	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1362797"	155.143076	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"138966"	155.143076	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"578525"	232.210976	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1047324"	78.075176	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"211944"	103.764476	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"654790"	155.143076	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1169634"	52.385876	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"439473"	326.305423	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"798280"	480.441223	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696068"	172.169623	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"339606"	163.6563495	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"735309"	240.7242495	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1491318"	86.5884495	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"407567"	331.260818	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"768685"	485.396618	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616782"	177.125018	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"322569"	166.134047	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"716085"	243.201947	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1473185"	89.066147	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1060962"	59.71319	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1263732"	187.169286	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"385588"	347.234758	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"745492"	501.370558	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1549733"	193.098958	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"311282"	174.121017	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"702610"	251.188917	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1457523"	97.053117	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"249407"	350.305426	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1223580"	196.169626	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1204183"	98.588451	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"201063"	353.24276	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"639897"	507.37856	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1142310"	199.10696	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"186325"	177.125018	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"624792"	254.192918	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1127204"	100.057118	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1410363"	67.040504	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1441752"	201.148546	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"224890"	182.15804	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1516231"	215.20059	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422120"	185.111988	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"784576"	262.179888	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1679081"	108.044088	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"260868"	372.287368	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1236857"	218.151568	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1722464"	218.175093	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1193286"	74.367818	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1664638"	223.130488	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"171503"	385.19064	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"611791"	539.32644	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1096669"	231.05484	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"154210"	193.098958	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"593772"	270.166858	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1079380"	116.031058	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1110403"	233.069392	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1345691"	233.157007	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1009848"	237.196176	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1530161"	238.189808	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"997701"	119.101726	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1591113"	239.104428	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1414584"	269.135938	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1147544"	139.615001	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1698434"	286.162485	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1635908"	291.11788	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1571678"	307.09182	"C11400"	"(1S2R4R)-Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"810310"	152.1201	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M"	0
"988221"	133.10171	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"74278"	100.406124	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"518210"	151.112824	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"891637"	49.699424	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"14587"	151.112824	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"450868"	227.172874	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"828670"	75.052774	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"90852"	303.232924	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"526037"	455.353024	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"903838"	151.112824	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"53840"	320.259471	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"493403"	472.379571	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"872296"	168.139371	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"38008"	325.214866	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"480852"	477.334966	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"860841"	173.094766	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1621625"	173.094766	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"102529"	169.101163	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"546103"	245.161213	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"937794"	93.041113	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"277445"	339.209602	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"671326"	491.329702	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1284824"	187.089502	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"26654"	341.188806	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"466577"	493.308906	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"842190"	189.068706	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1563124"	189.068706	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"951736"	197.118294	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"369587"	349.238401	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"352381"	363.254051	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1502311"	211.133951	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"969488"	219.100251	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"123136"	187.089502	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"552856"	263.149552	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1026029"	111.029452	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1243781"	231.038985	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1310242"	233.094972	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1321174"	255.076929	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"914057"	265.105686	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1296599"	301.082364	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1377676"	117.107424	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1391169"	135.1174	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"291949"	305.247476	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"687651"	457.367576	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1364001"	153.127376	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"137983"	153.127376	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"577543"	229.187426	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1047434"	77.067326	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"212055"	102.420676	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"653807"	153.127376	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1168652"	51.713976	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"434113"	322.274023	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"797297"	474.394123	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1693626"	170.153923	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"340808"	161.6406495	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"732139"	237.7006995	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1490333"	85.5805995	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"404638"	327.229418	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"768918"	479.349518	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1614828"	175.109318	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"316120"	164.118347	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"714009"	240.178397	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1471109"	88.058297	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1057794"	59.04129	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1266032"	185.153586	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"385698"	343.203358	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"746696"	495.323458	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1546562"	191.083258	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"305924"	172.105317	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"703813"	248.165367	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1455446"	96.045267	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"246238"	346.274026	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1221132"	194.153926	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1203929"	97.580601	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"199716"	349.21136	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"640372"	501.33146	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1141327"	197.09126	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"185344"	175.109318	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"624539"	251.169368	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1124034"	99.049268	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1406465"	66.368604	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1438582"	199.132846	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"223907"	180.14234	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1515248"	213.18489	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"422593"	183.096288	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"784322"	259.156338	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1678826"	107.036238	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"265355"	368.255968	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1236967"	216.135868	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1725494"	216.159393	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1192302"	73.695918	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1663656"	221.114788	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"170521"	381.15924	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"610079"	533.27934	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1095686"	229.03914	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"153957"	191.083258	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"591696"	267.143308	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1079490"	115.023208	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1111606"	231.053692	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1344709"	231.141307	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1015425"	235.180476	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1534647"	236.174108	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"998907"	118.093876	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1593410"	237.088728	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1416882"	267.120238	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1147410"	138.607151	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1698180"	284.146785	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1636018"	289.10218	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1572031"	305.07612	"C11401"	"(1S4R)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"816861"	168.115	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M"	0
"988939"	149.09661	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"77426"	111.069390666667	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"517110"	167.107724	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"894672"	55.0310573333333	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"14696"	167.107724	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"454748"	251.165224	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"830605"	83.050224	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"90844"	335.222724	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"529794"	503.337724	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"905042"	167.107724	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"57962"	352.249271	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"494607"	520.364271	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"876053"	184.134271	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"41398"	357.204666	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"483151"	525.319666	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"860954"	189.089666	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1627202"	189.089666	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"107014"	185.096063	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"547671"	269.153563	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"939363"	101.038563	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"278648"	371.199402	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"672530"	539.314402	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1286391"	203.084402	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"29316"	373.178606	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"468510"	541.293606	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"844487"	205.063606	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1563963"	205.063606	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"951482"	213.113194	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"370791"	381.228201	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"354678"	395.243851	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1502417"	227.128851	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"969964"	235.095151	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"122155"	203.084402	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"554788"	287.141902	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1028327"	119.026902	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1244623"	247.033885	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1314727"	249.089872	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1323471"	271.071829	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"918905"	281.100586	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1295616"	317.077264	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1375963"	133.102324	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1389090"	151.1123	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"297041"	337.237276	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"688855"	505.352276	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1361924"	169.122276	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H"	1.007276
"139187"	169.122276	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"579842"	253.179776	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1050826"	85.064776	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"217633"	113.083942666667	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"651730"	169.122276	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1168762"	57.0456093333333	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"432036"	354.263823	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"798501"	522.378823	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1691549"	186.148823	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"338732"	177.6355495	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"732249"	261.6930495	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1491539"	93.5780495	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"406935"	359.219218	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"767932"	527.334218	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1617860"	191.104218	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"319509"	180.113247	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"716306"	264.170747	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1470126"	96.055747	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1061184"	64.3729233333333	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1265048"	201.148486	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"385809"	375.193158	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"744620"	543.308158	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1546672"	207.078158	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K"	38.963158
"304940"	188.100217	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"701736"	272.157717	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1458837"	104.042717	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"247438"	378.263826	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1221240"	210.148826	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1206956"	105.578051	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"201285"	381.20116	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"640481"	549.31616	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1143622"	213.08616	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"186183"	191.104218	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"623921"	275.161718	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1127790"	107.046718	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1410221"	71.7002373333333	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1441245"	215.127746	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"226205"	196.13724	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1517546"	229.17979	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"422703"	199.091188	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"784796"	283.148688	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1678935"	115.033688	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"263644"	400.245768	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1235984"	232.130768	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1724143"	232.154293	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1189498"	79.0275513333333	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1661578"	237.109688	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"169170"	413.14904	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"608369"	581.26404	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1094339"	245.03404	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"151519"	207.078158	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"589987"	291.135658	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1076323"	123.020658	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1110625"	247.048592	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1343728"	247.136207	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1013350"	251.175376	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1529290"	252.169008	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"997924"	126.091326	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1591334"	253.083628	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1416017"	283.115138	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1149465"	146.604601	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1700112"	300.141685	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1639044"	305.09708	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1574693"	321.07102	"C11402"	"(4R7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"813810"	168.115	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M"	0
"989532"	149.09661	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"77901"	111.069390666667	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"517340"	167.107724	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"895635"	55.0310573333333	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"13712"	167.107724	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"455097"	251.165224	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"831442"	83.050224	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"92168"	335.222724	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"531363"	503.337724	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"905883"	167.107724	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"60259"	352.249271	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"496904"	520.364271	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"877985"	184.134271	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"41508"	357.204666	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"484353"	525.319666	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"862156"	189.089666	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1627312"	189.089666	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"106030"	185.096063	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"549324"	269.153563	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"939107"	101.038563	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"278758"	371.199402	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"672275"	539.314402	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1286865"	203.084402	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"29791"	373.178606	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"467890"	541.293606	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"843503"	205.063606	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1562251"	205.063606	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"950863"	213.113194	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"367984"	381.228201	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"355881"	395.243851	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1500341"	227.128851	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"971167"	235.095151	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"122266"	203.084402	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"558543"	287.141902	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1031716"	119.026902	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1244734"	247.033885	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1315933"	249.089872	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1323946"	271.071829	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"919014"	281.100586	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1296819"	317.077264	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1376073"	133.102324	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1392480"	151.1123	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"298456"	337.237276	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"687872"	505.352276	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1362034"	169.122276	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H"	1.007276
"138204"	169.122276	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"581046"	253.179776	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1049844"	85.064776	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"216651"	113.083942666667	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"652932"	169.122276	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1173242"	57.0456093333333	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"432146"	354.263823	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"798978"	522.378823	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1690567"	186.148823	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"337751"	177.6355495	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"730171"	261.6930495	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1490555"	93.5780495	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"403765"	359.219218	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"768042"	527.334218	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1616873"	191.104218	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"325085"	180.113247	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"713136"	264.170747	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1465863"	96.055747	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1059108"	64.3729233333333	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1266254"	201.148486	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"384828"	375.193158	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"750198"	543.308158	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1548969"	207.078158	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K"	38.963158
"307238"	188.100217	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"702940"	272.157717	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1460040"	104.042717	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"245362"	378.263826	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1216977"	210.148826	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1204877"	105.578051	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"201759"	381.20116	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"641319"	549.31616	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1144097"	213.08616	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"186658"	191.104218	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624763"	275.161718	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1127537"	107.046718	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1411427"	71.7002373333333	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1443909"	215.127746	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"231782"	196.13724	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1522395"	229.17979	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"423705"	199.091188	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"781619"	283.148688	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1677952"	115.033688	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"263752"	400.245768	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1237918"	232.130768	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1723526"	232.154293	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1190338"	79.0275513333333	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1661324"	237.109688	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"168183"	413.14904	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"607383"	581.26404	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1093719"	245.03404	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"151993"	207.078158	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"590826"	291.135658	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1077523"	123.020658	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1110369"	247.048592	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1344930"	247.136207	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1014553"	251.175376	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1535964"	252.169008	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"998033"	126.091326	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1594724"	253.083628	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1418193"	283.115138	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1151761"	146.604601	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1698036"	300.141685	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1639154"	305.09708	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1574803"	321.07102	"C11403"	"(3S6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"815380"	186.1256	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M"	0
"989889"	167.10721	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"77281"	123.076457333333	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"518019"	185.118324	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"895375"	61.0345906666667	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"15409"	185.118324	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"455085"	278.181124	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"828999"	92.055524	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"93370"	371.243924	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"531108"	557.369524	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"908544"	185.118324	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"60002"	388.270471	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"501023"	574.396071	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"877365"	202.144871	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"42713"	393.225866	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"486285"	579.351466	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"863974"	207.100266	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1627422"	207.100266	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"106139"	203.106663	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"547888"	296.169463	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"939217"	110.043863	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"278866"	407.220602	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"674329"	593.346202	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1286974"	221.095002	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"29901"	409.199806	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"470188"	595.325406	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"845800"	223.074206	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1562726"	223.074206	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"949514"	231.123794	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"364814"	417.249401	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"353801"	431.265051	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1503735"	245.139451	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"972006"	253.105751	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"125535"	221.095002	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"563029"	314.157802	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1030734"	128.032202	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1249220"	265.044485	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1314950"	267.100472	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1324787"	289.082429	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"916940"	299.111186	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1300577"	335.087864	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1375819"	151.112924	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1392590"	169.1229	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"298236"	373.258476	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"689076"	559.384076	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1366157"	187.132876	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"139043"	187.132876	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"580917"	280.195676	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1048862"	94.070076	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"216761"	125.091009333333	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"655232"	187.132876	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1172263"	63.0491426666667	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"432256"	390.285023	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"799819"	576.410623	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1695420"	204.159423	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"341872"	195.6461495	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"735751"	288.7089495	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1491396"	102.5833495	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"406430"	395.240418	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"769937"	581.366018	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1616619"	209.114818	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"323009"	198.123847	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"712155"	291.186647	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1464884"	105.061047	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1055939"	70.3764566666667	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1264178"	219.159086	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"389679"	411.214358	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"749215"	597.339958	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1554547"	225.088758	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"311723"	206.110817	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"701958"	299.173617	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1459057"	113.048017	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"246566"	414.285026	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1219274"	228.159426	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1209784"	114.583351	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"204245"	417.22236	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"643866"	603.34796	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1146644"	231.09676	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"186771"	209.114818	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"626939"	302.177618	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1131097"	116.052018	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1413239"	77.7037706666667	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1443897"	233.138346	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"228611"	214.14784	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1523112"	247.19039	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"423862"	217.101788	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"783918"	310.164588	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1679888"	124.038988	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"265564"	436.266968	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1238761"	250.141368	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1725820"	250.164893	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1191541"	85.0310846666667	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1662165"	255.120288	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"169756"	449.17024	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"608222"	635.29584	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1095651"	263.04464	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"153201"	225.088758	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"593489"	318.151558	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1080188"	132.025958	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1112666"	265.059192	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1348323"	265.146807	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1012478"	269.185976	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1533884"	270.179608	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"1001424"	135.096626	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1593740"	271.094228	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1420490"	301.125738	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1151872"	155.609901	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1700332"	318.152285	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1638170"	323.10768	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1571633"	339.08162	"C11404"	"(3R)-6-Hydroxy-3-isopropenyl-heptanoate"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"813666"	184.1099	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M"	0
"986472"	165.09151	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"76901"	121.732657333333	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"516461"	183.102624	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"892075"	60.3626906666667	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"8463"	183.102624	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"449115"	275.157574	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"825827"	91.047674	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"92386"	367.212524	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"532309"	551.322424	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"909018"	183.102624	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"61207"	384.239071	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"499309"	568.348971	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"874558"	200.129171	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"42458"	389.194466	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"482387"	573.304366	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"863469"	205.084566	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1627532"	205.084566	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"104063"	201.090963	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"545812"	293.145913	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"938234"	109.036013	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"274604"	403.189202	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"674681"	587.299102	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1285991"	219.079302	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"30376"	405.168406	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"470622"	589.278306	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"845910"	221.058506	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1562836"	221.058506	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"948531"	229.108094	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"364560"	413.218001	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"352818"	427.233651	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1505667"	243.123751	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"972116"	251.090051	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"124915"	219.079302	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"560586"	311.134252	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1034124"	127.024352	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1246049"	263.028785	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1318338"	265.084772	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1325989"	287.066729	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"914862"	297.095486	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1299228"	333.072164	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1376293"	149.097224	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1392700"	167.1072	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"296759"	369.227076	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"689185"	553.336976	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1366144"	185.117176	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"140368"	185.117176	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"580539"	277.172126	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1051158"	93.062226	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"216871"	123.747209333333	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"656435"	185.117176	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1172374"	62.3772426666667	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"432366"	386.253623	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"799808"	570.363523	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1695896"	202.143723	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"343441"	193.6304495	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"734768"	285.6853995	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1491140"	101.5754995	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"407268"	391.209018	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"768509"	575.318918	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1614178"	207.099118	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"318745"	196.108147	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"710078"	288.163097	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1464994"	104.053197	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1057142"	69.7045566666667	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1262101"	217.143386	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"387237"	407.182958	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"749325"	591.292858	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1553564"	223.073058	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"309647"	204.095117	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"699882"	296.150067	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1455888"	112.040167	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"244490"	410.253626	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1218291"	226.143726	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1206920"	113.575501	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"204060"	413.19096	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"644110"	597.30086	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1146953"	229.08106	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"186880"	207.099118	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"625713"	299.154068	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1130191"	115.044168	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1413353"	77.0318706666667	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1443643"	231.122646	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"228721"	212.13214	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1523958"	245.17469	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"421941"	215.086088	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"779653"	307.141038	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1679268"	123.031138	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"265430"	432.235568	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1239356"	248.125668	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1725567"	248.149193	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1189831"	84.3591846666667	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1663004"	253.104588	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"168408"	445.13884	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"608697"	629.24874	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1095398"	261.02894	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"154402"	223.073058	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"593962"	315.128008	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1080663"	131.018108	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1114235"	263.043492	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1349528"	263.131107	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1009308"	267.170276	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1535088"	268.163908	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"1000441"	134.088776	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1593849"	269.078528	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1420600"	299.110038	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1153076"	154.602051	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1700442"	316.136585	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1637187"	321.09198	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1571743"	337.06592	"C11405"	"(3R)-3-Isopropenyl-6-oxoheptanoate;(3R)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"814870"	186.1256	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M"	0
"986583"	167.10721	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"76647"	123.076457333333	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"516571"	185.118324	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"894980"	61.0345906666667	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"10759"	185.118324	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"450319"	278.181124	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"829217"	92.055524	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"92863"	371.243924	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"532056"	557.369524	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"910347"	185.118324	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"61808"	388.270471	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"500883"	574.396071	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"878436"	202.144871	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"45850"	393.225866	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"485171"	579.351466	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"862853"	207.100266	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1627642"	207.100266	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"105266"	203.106663	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"545922"	296.169463	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"937251"	110.043863	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"273619"	407.220602	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"663854"	593.346202	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1286101"	221.095002	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"30485"	409.199806	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"470530"	595.325406	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"846020"	223.074206	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1560760"	223.074206	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"948641"	231.123794	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"365763"	417.249401	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"348917"	431.265051	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1506142"	245.139451	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"971498"	253.105751	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"118217"	221.095002	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"555593"	314.157802	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1027672"	128.032202	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1247252"	265.044485	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1311886"	267.100472	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1321727"	289.082429	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"912785"	299.111186	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1299337"	335.087864	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1376403"	151.112924	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1392809"	169.1229	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"293589"	373.258476	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"690514"	559.384076	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1365769"	187.132876	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"140845"	187.132876	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"580525"	280.195676	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1051147"	94.070076	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"218074"	125.091009333333	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"655452"	187.132876	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1172483"	63.0491426666667	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"431747"	390.285023	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"798946"	576.410623	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1694910"	204.159423	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"343551"	195.6461495	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"737065"	288.7089495	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1490886"	102.5833495	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"405921"	395.240418	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"769107"	581.366018	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1617084"	209.114818	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"323231"	198.123847	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"716747"	291.186647	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1465104"	105.061047	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1055429"	70.3764566666667	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1264399"	219.159086	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"390627"	411.214358	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"749435"	597.339958	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1552580"	225.088758	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"308664"	206.110817	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"699991"	299.173617	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1455998"	113.048017	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"245693"	414.285026	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1218401"	228.159426	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1203381"	114.583351	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"202457"	417.22236	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"643813"	603.34796	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1146665"	231.09676	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"188338"	209.114818	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"628142"	302.177618	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1129694"	116.052018	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1411635"	77.7037706666667	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1442778"	233.138346	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"235280"	214.14784	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1523700"	247.19039	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"422050"	217.101788	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"783775"	310.164588	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1679745"	124.038988	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"265544"	436.266968	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1239710"	250.141368	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1726773"	250.164893	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1191765"	85.0310846666667	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1663115"	255.120288	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"168884"	449.17024	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"608809"	635.29584	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1095508"	263.04464	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"151231"	225.088758	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"594074"	318.151558	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1080773"	132.025958	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1113618"	265.059192	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1348908"	265.146807	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1009418"	269.185976	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1535197"	270.179608	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"1000553"	135.096626	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1597239"	271.094228	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1421804"	301.125738	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1155373"	155.609901	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1701645"	318.152285	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1638390"	323.10768	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1571853"	339.08162	"C11406"	"(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"813157"	933.2146	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M"	0
"986693"	914.19621	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H2O-H"	-19.01839
"74934"	621.135790666667	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-3H"	-3.021828
"516683"	932.207324	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-3H"	-3.021828
"893024"	310.064257333333	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-3H"	-3.021828
"11962"	932.207324	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H"	-2.014552
"448242"	1398.814624	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H"	-2.014552
"828233"	465.600024	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H"	-2.014552
"93214"	1865.421924	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H"	-1.007276
"532893"	2798.636524	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H"	-1.007276
"910700"	932.207324	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H"	-1.007276
"61669"	1882.448471	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+NH4"	16.019271
"500985"	2815.663071	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+NH4"	16.019271
"878424"	949.233871	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+NH4"	16.019271
"44136"	1887.403866	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+Na"	20.974666
"486825"	2820.618466	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+Na"	20.974666
"860406"	954.189266	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+Na"	20.974666
"1627752"	954.189266	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na-2H"	20.974666
"105012"	950.195663	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H+Cl"	33.962126
"546761"	1416.802963	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H+Cl"	33.962126
"936267"	483.588363	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+Cl"	33.962126
"274821"	1901.398602	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Cl"	34.969402
"666513"	2834.613202	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Cl"	34.969402
"1282930"	968.184002	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl"	34.969402
"30717"	1903.377806	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+K"	36.948606
"470516"	2836.592406	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+K"	36.948606
"842850"	970.163206	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+K"	36.948606
"1563056"	970.163206	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K-2H"	36.948606
"948751"	978.212794	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+HCOOH"	44.998194
"365873"	1911.427401	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+HCOOH-H"	44.998201
"348663"	1925.443051	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Hac-H"	59.013851
"1504793"	992.228451	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Hac-H"	59.013851
"971972"	1000.194751	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+NaCOOH"	66.980151
"123432"	968.184002	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Cl"	69.938804
"561896"	1434.791302	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Cl"	69.938804
"1027783"	501.576702	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Cl"	69.938804
"1247362"	1012.133485	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Br"	78.918885
"1317463"	1014.189472	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+HCOOH"	80.974872
"1323295"	1036.171429	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+NaCOOH"	102.956829
"915083"	1046.200186	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+CF3COOH"	112.985586
"1300541"	1082.176864	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+CF3COOH"	148.962264
"1379794"	898.201924	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-2H2O"	-35.012676
"1389639"	916.2119	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-H2O"	-17.0027
"296615"	1867.436476	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H"	1.007276
"688309"	2800.651076	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H"	1.007276
"1366579"	934.221876	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H"	1.007276
"141170"	934.221876	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2H"	2.014552
"581304"	1400.829176	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2H"	2.014552
"1051380"	467.614576	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H"	2.014552
"217092"	623.150342666667	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H"	3.021828
"656655"	934.221876	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+3H"	3.021828
"1172594"	312.078809333333	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3H"	3.021828
"438542"	1884.463023	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+NH4"	18.033823
"800273"	2817.677623	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+NH4"	18.033823
"1695385"	951.248423	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4"	18.033823
"343661"	942.7351495	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+NH4"	19.041099
"736080"	1409.3424495	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+NH4"	19.041099
"1492609"	476.1278495	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+NH4"	19.041099
"407611"	1889.418418	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na"	22.989218
"769582"	2822.633018	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na"	22.989218
"1617436"	956.203818	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na"	22.989218
"322248"	945.212847	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+Na"	23.996494
"714670"	1411.820147	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+Na"	23.996494
"1465215"	478.605547	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+Na"	23.996494
"1056272"	319.406123333333	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H+Na"	25.00377
"1265603"	966.248086	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+CH3OH+H"	33.033486
"390737"	1905.392358	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+K"	38.963158
"751732"	2838.606958	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+K"	38.963158
"1552689"	972.177758	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K"	38.963158
"309866"	953.199817	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+K"	39.970434
"702287"	1419.807117	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+K"	39.970434
"1457200"	486.592517	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+K"	39.970434
"243616"	1908.463026	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+H"	42.033826
"1215232"	975.248426	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+H"	42.033826
"1200210"	488.127851	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+2H"	43.041102
"202324"	1911.40036	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na-H"	44.97116
"643594"	2844.61496	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na-H"	44.97116
"1143081"	978.18576	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na-H"	44.97116
"187224"	956.203818	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na"	45.978436
"627886"	1422.811118	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na"	45.978436
"1127978"	489.596518	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na"	45.978436
"1411502"	326.733437333333	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+2Na"	46.985712
"1435961"	980.227346	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+HCOOH"	47.012746
"234657"	961.23684	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H2O+2H"	56.04448
"1523202"	994.27939	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+H"	61.06479
"422769"	964.190788	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na+K"	61.952376
"783155"	1430.798088	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na+K"	61.952376
"1680220"	497.583488	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+K"	61.952376
"266015"	1930.444968	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+Na"	64.015768
"1240309"	997.230368	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+Na"	64.015768
"1726644"	997.253893	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+HCOOH"	64.039293
"1192241"	334.060751333333	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3Na"	68.967654
"1663833"	1002.209288	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+HCOOH"	68.994688
"170452"	1943.34824	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K-H"	76.91904
"610742"	2876.56284	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K-H"	76.91904
"1098050"	1010.13364	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K-H"	76.91904
"153890"	972.177758	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K"	77.926316
"594183"	1438.785058	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K"	77.926316
"1081975"	505.570458	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K"	77.926316
"1113000"	1012.148192	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K+H"	78.933592
"1348652"	1012.235807	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+DMSO+H"	79.021207
"1011715"	1016.274976	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+H"	83.060376
"1533120"	1017.268608	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+Na+H"	84.054008
"999569"	508.641126	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+2H"	84.067652
"1592975"	1018.183228	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+HCOOH"	84.968628
"1423008"	1048.214738	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+CF3COOH"	115.000138
"1154389"	529.154401	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3ACN+2H"	125.094202
"1702848"	1065.241285	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+CF3COOH"	132.026685
"1638500"	1070.19668	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+CF3COOH"	136.98208
"1573056"	1086.17062	"C11407"	"(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+CF3COOH"	152.95602
"814360"	152.1201	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M"	0
"987896"	133.10171	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"77231"	100.406124	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"516793"	151.112824	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"893498"	49.699424	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"10981"	151.112824	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"447259"	227.172874	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"827250"	75.052774	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"87240"	303.232924	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"531911"	455.353024	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"910324"	151.112824	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"60444"	320.259471	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"498908"	472.379571	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"876348"	168.139371	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"44245"	325.214866	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"486362"	477.334966	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"859423"	173.094766	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1627862"	173.094766	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"104393"	169.101163	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"546507"	245.161213	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"936377"	93.041113	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"274931"	339.209602	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"666259"	491.329702	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1278665"	187.089502	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"28878"	341.188806	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"465158"	493.308906	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"845148"	189.068706	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1562073"	189.068706	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"949954"	197.118294	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"369263"	349.238401	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"351324"	363.254051	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1494318"	211.133951	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"960042"	219.100251	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"122448"	187.089502	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"561277"	263.149552	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1022547"	111.029452	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1247472"	231.038985	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1308826"	233.094972	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1321943"	255.076929	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"915193"	265.105686	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1296277"	301.082364	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1374437"	117.107424	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1384282"	135.1174	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"290529"	305.247476	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"688055"	457.367576	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1366554"	153.127376	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"141297"	153.127376	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"580986"	229.187426	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1051978"	77.067326	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"216109"	102.420676	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"655672"	153.127376	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1172706"	51.713976	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"437802"	322.274023	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"799530"	474.394123	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1693312"	170.153923	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"342678"	161.6406495	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"731816"	237.7006995	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1490011"	85.5805995	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"406504"	327.229418	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"768593"	479.349518	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1615598"	175.109318	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"323451"	164.118347	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"715873"	240.178397	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1466418"	88.058297	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1059662"	59.04129	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1265713"	185.153586	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"390847"	343.203358	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"753301"	495.323458	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1552800"	191.083258	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"311069"	172.105317	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"701305"	248.165367	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1455125"	96.045267	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"244819"	346.274026	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1217528"	194.153926	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1200320"	97.580601	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"202311"	349.21136	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"643824"	501.33146	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1142824"	197.09126	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"187455"	175.109318	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627509"	251.169368	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1126993"	99.049268	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1411612"	66.368604	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1436071"	199.132846	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"235130"	180.14234	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1523313"	213.18489	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"421177"	183.096288	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"783266"	259.156338	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1678503"	107.036238	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"265764"	368.255968	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1239566"	216.135868	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1726266"	216.159393	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1191621"	73.695918	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1662972"	221.114788	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"168010"	381.15924	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"609759"	533.27934	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1096822"	229.03914	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"152906"	191.083258	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"595385"	267.143308	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1081722"	115.023208	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1113474"	231.053692	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1349858"	231.141307	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1011825"	235.180476	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1537607"	236.174108	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1002959"	118.093876	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1596366"	237.088728	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1419837"	267.120238	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1154499"	138.607151	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1702958"	284.146785	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1637515"	289.10218	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1572073"	305.07612	"C11408"	"(4S6S)-cis-Carveol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"814470"	152.1201	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M"	0
"986548"	133.10171	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"76248"	100.406124	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"516538"	151.112824	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"892515"	49.699424	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"11091"	151.112824	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"448462"	227.172874	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"826267"	75.052774	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"88443"	303.232924	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"531655"	455.353024	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"910553"	151.112824	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"60918"	320.259471	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"499018"	472.379571	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"878280"	168.139371	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"44355"	325.214866	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"486841"	477.334966	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"859898"	173.094766	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1626879"	173.094766	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"105232"	169.101163	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"546617"	245.161213	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"937945"	93.041113	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"276134"	339.209602	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"665639"	491.329702	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1278774"	187.089502	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"27894"	341.188806	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"465268"	493.308906	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"846351"	189.068706	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1562183"	189.068706	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"950064"	197.118294	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"369373"	349.238401	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"349246"	363.254051	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1494065"	211.133951	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"960152"	219.100251	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"122559"	187.089502	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"559200"	263.149552	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1025816"	111.029452	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1245395"	231.038985	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1308936"	233.094972	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1321691"	255.076929	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"915303"	265.105686	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1294199"	301.082364	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1371266"	117.107424	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1390950"	135.1174	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"288450"	305.247476	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"684152"	457.367576	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1366218"	153.127376	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"135580"	153.127376	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"580244"	229.187426	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1052206"	77.067326	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"216219"	102.420676	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"655782"	153.127376	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1172813"	51.713976	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"433900"	322.274023	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"798911"	474.394123	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1694879"	170.153923	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"340601"	161.6406495	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"733019"	237.7006995	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1486841"	85.5805995	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"403335"	327.229418	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"765423"	479.349518	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1613522"	175.109318	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"320282"	164.118347	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"715983"	240.178397	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1463247"	88.058297	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1058677"	59.04129	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1262542"	185.153586	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"388770"	343.203358	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"750858"	495.323458	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1550723"	191.083258	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"307899"	172.105317	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"702507"	248.165367	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1456326"	96.045267	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"243835"	346.274026	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1217634"	194.153926	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1199334"	97.580601	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"202057"	349.21136	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"641252"	501.33146	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1141841"	197.09126	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"187321"	175.109318	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627855"	251.169368	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1126010"	99.049268	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1411722"	66.368604	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1436181"	199.132846	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"234265"	180.14234	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1523056"	213.18489	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"419099"	183.096288	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"781917"	259.156338	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1676426"	107.036238	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"266603"	368.255968	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1240283"	216.135868	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1726009"	216.159393	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1191729"	73.695918	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1663445"	221.114788	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"169942"	381.15924	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"609502"	533.27934	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1096932"	229.03914	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"154109"	191.083258	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"595130"	267.143308	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1082319"	115.023208	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1113462"	231.053692	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1347779"	231.141307	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1011936"	235.180476	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1536624"	236.174108	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1001976"	118.093876	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1594291"	237.088728	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1419947"	267.120238	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1153515"	138.607151	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1701975"	284.146785	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1637625"	289.10218	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1572183"	305.07612	"C11409"	"()-trans-Carveol;(4S6R)-trans-Carveol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"816954"	154.1358	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"989672"	135.11741	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"78266"	101.749924	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"518419"	153.128524	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"894816"	50.371324	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"13391"	153.128524	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"452586"	230.196424	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"827835"	76.060624	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"89648"	307.264324	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"531401"	461.400124	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"910663"	153.128524	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"62819"	324.290871	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"499494"	478.426671	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"877296"	170.155071	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"41915"	329.246266	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"486217"	483.382066	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"859278"	175.110466	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1624802"	175.110466	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"105342"	171.116863	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"549364"	248.184763	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939147"	94.048963	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"272965"	343.241002	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"668303"	497.376802	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1282166"	189.105202	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"30193"	345.220206	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"470970"	499.356006	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846462"	191.084406	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1564481"	191.084406	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"949083"	199.133994	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"368390"	353.269801	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"347534"	367.285451	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1493811"	213.149651	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"961355"	221.115951	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"111719"	189.105202	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"564660"	266.173102	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1031393"	112.037302	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1248785"	233.054685	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1313419"	235.110672	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1320707"	257.092629	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"918693"	267.121386	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1294308"	303.098064	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1374656"	119.123124	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1391060"	137.1331	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"288560"	309.278876	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"684262"	463.414676	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1366570"	155.143076	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"135690"	155.143076	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"580234"	232.210976	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1052076"	78.075176	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"217421"	103.764476	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"659741"	155.143076	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1172920"	52.385876	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"438997"	326.305423	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"800116"	480.441223	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696083"	172.169623	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"342898"	163.6563495	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"735319"	240.7242495	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1489140"	86.5884495	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"406723"	331.260818	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"766627"	485.396618	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1612540"	177.125018	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"320392"	166.134047	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"715001"	243.201947	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1468825"	89.066147	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1059880"	59.71319	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1263745"	187.169286	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"389973"	347.234758	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"748782"	501.370558	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1549740"	193.098958	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"309103"	174.121017	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"702616"	251.188917	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1456437"	97.053117	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"249414"	350.305426	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1218842"	196.169626	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1203455"	98.588451	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"202046"	353.24276	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"641358"	507.37856	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1145842"	199.10696	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"187066"	177.125018	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"626627"	254.192918	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1128306"	100.057118	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1409643"	67.040504	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1436291"	201.148546	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"231821"	182.15804	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1520612"	215.20059	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"418844"	185.111988	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"783849"	262.179888	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1676535"	108.044088	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265979"	372.287368	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1240876"	218.151568	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1727944"	218.175093	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1193659"	74.367818	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1665010"	223.130488	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"170780"	385.19064	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"609612"	539.32644	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1098134"	231.05484	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"154950"	193.098958	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"596582"	270.166858	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1082670"	116.031058	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1114911"	233.069392	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1347890"	233.157007	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1010223"	237.196176	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1529076"	238.189808	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"998806"	119.101726	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1600961"	239.104428	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1427711"	269.135938	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1153625"	139.615001	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1702085"	286.162485	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641018"	291.11788	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1576668"	307.09182	"C11410"	"(1R2S4S)- Neoiso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"815663"	154.1358	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"986038"	135.11741	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"76467"	101.749924	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"516030"	153.128524	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"892736"	50.371324	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"8030"	153.128524	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"449775"	230.196424	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"826852"	76.060624	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"87572"	307.264324	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"528958"	461.400124	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"906030"	153.128524	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"52747"	324.290871	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"497782"	478.426671	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"875583"	170.155071	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"43119"	329.246266	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"483776"	483.382066	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"861941"	175.110466	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1627828"	175.110466	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"100348"	171.116863	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"543190"	248.184763	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"930871"	94.048963	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"273438"	343.241002	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"664401"	497.376802	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1277535"	189.105202	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"24834"	345.220206	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"467310"	499.356006	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846571"	191.084406	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1569695"	191.084406	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"953567"	199.133994	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"367408"	353.269801	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"350198"	367.285451	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1496110"	213.149651	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"960006"	221.115951	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"110489"	189.105202	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"564406"	266.173102	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1030410"	112.037302	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1248895"	233.054685	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1313529"	235.110672	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321910"	257.092629	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"915523"	267.121386	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1294418"	303.098064	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1371486"	119.123124	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1390077"	137.1331	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"287577"	309.278876	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"682185"	463.414676	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1362913"	155.143076	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"133614"	155.143076	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"580344"	232.210976	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1051452"	78.075176	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"219353"	103.764476	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"654904"	155.143076	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1175215"	52.385876	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"439228"	326.305423	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"799495"	480.441223	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1695102"	172.169623	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"343373"	163.6563495	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"736522"	240.7242495	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1489248"	86.5884495	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"406833"	331.260818	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"764550"	485.396618	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1613743"	177.125018	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"321595"	166.134047	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"716204"	243.201947	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1468935"	89.066147	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1057804"	59.71319	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1261668"	187.169286	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"388990"	347.234758	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"751079"	501.370558	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1552037"	193.098958	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"309214"	174.121017	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"701633"	251.188917	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1458370"	97.053117	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"248434"	350.305426	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1218952"	196.169626	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1203926"	98.588451	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"201911"	353.24276	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"640375"	507.37856	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1144246"	199.10696	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"185353"	177.125018	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"624185"	254.192918	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1126230"	100.057118	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1406473"	67.040504	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1435308"	201.148546	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"229379"	182.15804	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1513066"	215.20059	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"419317"	185.111988	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"783594"	262.179888	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1674458"	108.044088	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"262809"	372.287368	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1241151"	218.151568	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1728256"	218.175093	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1194059"	74.367818	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1664757"	223.130488	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"169797"	385.19064	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"609722"	539.32644	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1097876"	231.05484	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"155427"	193.098958	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"595716"	270.166858	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1083634"	116.031058	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1114535"	233.069392	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1349338"	233.157007	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1011061"	237.196176	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1528092"	238.189808	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"995634"	119.101726	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1597791"	239.104428	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1429164"	269.135938	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1151548"	139.615001	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1703289"	286.162485	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641128"	291.11788	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1576778"	307.09182	"C11411"	"(1R2R4S)-Iso-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"811520"	152.1201	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M"	0
"987241"	133.10171	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"76577"	100.406124	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"515046"	151.112824	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"892847"	49.699424	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"9233"	151.112824	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"449885"	227.172874	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"828419"	75.052774	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"88775"	303.232924	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"529432"	455.353024	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"905047"	151.112824	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"55044"	320.259471	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"496790"	472.379571	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"874964"	168.139371	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"41403"	325.214866	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"485588"	477.334966	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"863879"	173.094766	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1630854"	173.094766	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"100458"	169.101163	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"543300"	245.161213	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"934628"	93.041113	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"277559"	339.209602	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"667792"	491.329702	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1283480"	187.089502	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"29323"	341.188806	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"469485"	493.308906	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"846200"	189.068706	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1569076"	189.068706	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"953677"	197.118294	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"370800"	349.238401	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"350304"	363.254051	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1497313"	211.133951	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"959140"	219.100251	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"110721"	187.089502	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"564637"	263.149552	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1033800"	111.029452	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1255566"	231.038985	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1316919"	233.094972	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1322751"	255.076929	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"917820"	265.105686	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1295622"	301.082364	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1371596"	117.107424	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1393467"	135.1174	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"289873"	305.247476	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"682295"	457.367576	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1359735"	153.127376	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"133724"	153.127376	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"576565"	229.187426	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1046458"	77.067326	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"212172"	102.420676	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"649545"	153.127376	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1167670"	51.713976	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"439582"	322.274023	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"800577"	474.394123	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1696308"	170.153923	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"344211"	161.6406495	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"736631"	237.7006995	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1489358"	85.5805995	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"405850"	327.229418	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"764659"	479.349518	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1615919"	175.109318	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"323893"	164.118347	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"717407"	240.178397	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1470139"	88.058297	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1059007"	59.04129	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1266152"	185.153586	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"386913"	343.203358	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"753013"	495.323458	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1551420"	191.083258	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"310416"	172.105317	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"701743"	248.165367	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1458480"	96.045267	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"248905"	346.274026	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1221614"	194.153926	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1202944"	97.580601	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"202871"	349.21136	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"641578"	501.33146	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1142169"	197.09126	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"187162"	175.109318	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627944"	251.169368	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1126340"	99.049268	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1406583"	66.368604	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1435418"	199.132846	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"227301"	180.14234	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1513176"	213.18489	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"420521"	183.096288	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"781516"	259.156338	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1675661"	107.036238	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"266204"	368.255968	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1241225"	216.135868	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1728043"	216.159393	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1193760"	73.695918	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1663773"	221.114788	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"170634"	381.15924	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"608370"	533.27934	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1096894"	229.03914	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"155538"	191.083258	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"595094"	267.143308	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1083504"	115.023208	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1115213"	231.053692	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1348841"	231.141307	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1012266"	235.180476	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1529297"	236.174108	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"997933"	118.093876	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1596809"	237.088728	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1425750"	267.120238	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1159316"	138.607151	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1703399"	284.146785	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1641238"	289.10218	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1576888"	305.07612	"C11412"	"(1R4S)-Iso-dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"812723"	154.1358	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"988810"	135.11741	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"78378"	101.749924	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"517341"	153.128524	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"895538"	50.371324	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"11530"	153.128524	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"449995"	230.196424	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"829986"	76.060624	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"90709"	307.264324	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"532459"	461.400124	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"906250"	153.128524	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"57341"	324.290871	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"493620"	478.426671	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"874708"	170.155071	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"43701"	329.246266	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"485698"	483.382066	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"861431"	175.110466	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1629506"	175.110466	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"102755"	171.116863	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"544503"	248.184763	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"934738"	94.048963	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"278762"	343.241002	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"668631"	497.376802	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1287364"	189.105202	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"30283"	345.220206	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468625"	499.356006	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846431"	191.084406	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1568823"	191.084406	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"953425"	199.133994	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"373462"	353.269801	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"352603"	367.285451	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1499611"	213.149651	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"961319"	221.115951	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"110952"	189.105202	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"557453"	266.173102	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1033910"	112.037302	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1254585"	233.054685	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1318490"	235.110672	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1329059"	257.092629	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"924491"	267.121386	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1301201"	303.098064	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1378267"	119.123124	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1395764"	137.1331	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"289984"	309.278876	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"682405"	463.414676	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1359845"	155.143076	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"137115"	155.143076	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"570480"	232.210976	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1044382"	78.075176	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"211187"	103.764476	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"651113"	155.143076	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1172155"	52.385876	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"436533"	326.305423	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"796436"	480.441223	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1691674"	172.169623	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"341043"	163.6563495	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"735285"	240.7242495	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1487283"	86.5884495	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"405960"	331.260818	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"767322"	485.396618	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1615421"	177.125018	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"317441"	166.134047	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"713143"	243.201947	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1470249"	89.066147	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1059118"	59.71319	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1264075"	187.169286	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"389210"	347.234758	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"752393"	501.370558	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1553350"	193.098958	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"313444"	174.121017	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"705134"	251.188917	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1460048"	97.053117	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"250113"	350.305426	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1222819"	196.169626	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1205243"	98.588451	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"202856"	353.24276	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"643025"	507.37856	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1140091"	199.10696	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"184477"	177.125018	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"627930"	254.192918	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1126450"	100.057118	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1406693"	67.040504	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1438809"	201.148546	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"229599"	182.15804	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1519847"	215.20059	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"421724"	185.111988	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"784544"	262.179888	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1675771"	108.044088	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265950"	372.287368	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1240116"	218.151568	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1728032"	218.175093	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1191802"	74.367818	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1663882"	223.130488	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"168191"	385.19064	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"608476"	539.32644	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1095546"	231.05484	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"153092"	193.098958	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"594841"	270.166858	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1083616"	116.031058	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1114392"	233.069392	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1350775"	233.157007	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1013470"	237.196176	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1528315"	238.189808	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"994761"	119.101726	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1594733"	239.104428	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1424403"	269.135938	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1159427"	139.615001	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1705697"	286.162485	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641348"	291.11788	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1575905"	307.09182	"C11413"	"(1S2S4S)-Dihydrocarveol;()-Dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"812833"	168.115	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M"	0
"985276"	149.09661	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"72423"	111.069390666667	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"509797"	167.107724	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"893065"	55.0310573333333	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"15167"	167.107724	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"453024"	251.165224	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"832290"	83.050224	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"92278"	335.222724	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"534156"	503.337724	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"910369"	167.107724	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"61828"	352.249271	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"495919"	520.364271	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"878828"	184.134271	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"42720"	357.204666	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"487017"	525.319666	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"864177"	189.089666	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1628524"	189.089666	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"108947"	185.096063	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"547897"	269.153563	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"942309"	101.038563	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"282407"	371.199402	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"675550"	539.314402	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1287846"	203.084402	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"31126"	373.178606	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"469828"	541.293606	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"848439"	205.063606	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1570757"	205.063606	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"955357"	213.113194	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"372114"	381.228201	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"356724"	395.243851	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1500454"	227.128851	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"963621"	235.095151	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"113983"	203.084402	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"558652"	287.141902	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1034020"	119.026902	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1255787"	247.033885	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1318964"	249.089872	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1332085"	271.071829	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"923508"	281.100586	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1302404"	317.077264	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1375096"	133.102324	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1391499"	151.1123	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"288999"	337.237276	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"689072"	505.352276	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1357767"	169.122276	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H"	1.007276
"135035"	169.122276	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"575692"	253.179776	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1046677"	85.064776	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"210203"	113.083942666667	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"650858"	169.122276	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1171170"	57.0456093333333	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"435550"	354.263823	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"797639"	522.378823	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1690690"	186.148823	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"338966"	177.6355495	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"735761"	261.6930495	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1487394"	93.5780495	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"406070"	359.219218	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"763790"	527.334218	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1614802"	191.104218	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"316457"	180.113247	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"712159"	264.170747	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1472545"	96.055747	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1060321"	64.3729233333333	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1264185"	201.148486	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"389320"	375.193158	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"753881"	543.308158	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1552366"	207.078158	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+K"	38.963158
"313552"	188.100217	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"701964"	272.157717	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1460158"	104.042717	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"250831"	378.263826	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1224875"	210.148826	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1205352"	105.578051	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"202601"	381.20116	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"643135"	549.31616	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1140200"	213.08616	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"184587"	191.104218	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"628290"	275.161718	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1130945"	107.046718	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1413536"	71.7002373333333	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1442200"	215.127746	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"234450"	196.13724	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1523777"	229.17979	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"423864"	199.091188	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"785390"	283.148688	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1680141"	115.033688	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"266424"	400.245768	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1239861"	232.130768	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1727170"	232.154293	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1192277"	79.0275513333333	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1664357"	237.109688	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"169395"	413.14904	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"609317"	581.26404	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1096750"	245.03404	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"155754"	207.078158	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"593492"	291.135658	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1082750"	123.020658	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1113773"	247.048592	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1350400"	247.136207	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1014674"	251.175376	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1532796"	252.169008	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"997059"	126.091326	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1595938"	253.083628	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1425968"	283.115138	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1161361"	146.604601	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1707993"	300.141685	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1642548"	305.09708	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1577108"	321.07102	"C11414"	"(4S7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;4-Isopropenyl-7-methyloxepan-2-one"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"809665"	152.1201	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M"	0
"976638"	133.10171	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"67065"	100.406124	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"509906"	151.112824	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"887707"	49.699424	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"10657"	151.112824	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"445844"	227.172874	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"831302"	75.052774	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"92753"	303.232924	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"534143"	455.353024	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"907563"	151.112824	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"59751"	320.259471	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"501014"	472.379571	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"878331"	168.139371	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"47018"	325.214866	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"487076"	477.334966	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"863355"	173.094766	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1633616"	173.094766	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"109179"	169.101163	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"549104"	245.161213	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"941772"	93.041113	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"281909"	339.209602	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"675538"	491.329702	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1288031"	187.089502	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"31185"	341.188806	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"469817"	493.308906	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"847014"	189.068706	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1565033"	189.068706	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"956196"	197.118294	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"368943"	349.238401	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"355011"	363.254051	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1499471"	211.133951	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"961544"	219.100251	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"125404"	187.089502	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"560954"	263.149552	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1030850"	111.029452	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1255896"	231.038985	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1319197"	233.094972	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1332559"	255.076929	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"926294"	265.105686	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1303494"	301.082364	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1380674"	117.107424	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1397443"	135.1174	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"295670"	305.247476	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"685903"	457.367576	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1360065"	153.127376	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"136239"	153.127376	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"575802"	229.187426	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1050068"	77.067326	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"212500"	102.420676	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"652062"	153.127376	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1172373"	51.713976	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"434202"	322.274023	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"793375"	474.394123	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1689705"	170.153923	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"342357"	161.6406495	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"734779"	237.7006995	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1485315"	85.5805995	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"402898"	327.229418	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"760619"	479.349518	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1606529"	175.109318	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"317661"	164.118347	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"708987"	240.178397	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1470467"	88.058297	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1060431"	59.04129	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1263203"	185.153586	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"382870"	343.203358	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"748239"	495.323458	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1549197"	191.083258	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"310747"	172.105317	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"705355"	248.165367	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1460881"	96.045267	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"247777"	346.274026	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1225313"	194.153926	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1205098"	97.580601	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"201253"	349.21136	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"636805"	501.33146	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1138121"	197.09126	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"185792"	175.109318	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"625353"	251.169368	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1128859"	99.049268	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1413887"	66.368604	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1445324"	199.132846	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"235569"	180.14234	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1523719"	213.18489	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"423048"	183.096288	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"784774"	259.156338	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1680615"	107.036238	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"264706"	368.255968	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1238509"	216.135868	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1727522"	216.159393	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1193118"	73.695918	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1663372"	221.114788	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"168774"	381.15924	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"609064"	533.27934	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1099049"	229.03914	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"152216"	191.083258	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"593244"	267.143308	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1082858"	115.023208	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1114245"	231.053692	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1341877"	231.141307	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1010408"	235.180476	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1527439"	236.174108	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"996077"	118.093876	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1597140"	237.088728	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1427173"	267.120238	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1160375"	138.607151	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1710287"	284.146785	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1640471"	289.10218	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1577218"	305.07612	"C11415"	"(1S4S)-Dihydrocarvone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"815240"	154.1358	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M"	0
"976748"	135.11741	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"68268"	101.749924	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"510016"	153.128524	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"887817"	50.371324	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"11861"	153.128524	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"449234"	230.196424	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"831293"	76.060624	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"94248"	307.264324	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"533156"	461.400124	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"909499"	153.128524	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"60593"	324.290871	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"500154"	478.426671	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"878321"	170.155071	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"41844"	329.246266	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"483595"	483.382066	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"862980"	175.110466	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1633689"	175.110466	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"108194"	171.116863	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"546902"	248.184763	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"940909"	94.048963	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"282629"	343.241002	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"675044"	497.376802	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1288062"	189.105202	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"31022"	345.220206	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468226"	499.356006	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846760"	191.084406	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1566237"	191.084406	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"954484"	199.133994	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"370876"	353.269801	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"355122"	367.285451	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1499581"	213.149651	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"962750"	221.115951	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"124543"	189.105202	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"562157"	266.173102	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1032056"	112.037302	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1248353"	233.054685	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1318089"	235.110672	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1333398"	257.092629	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"925551"	267.121386	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1302623"	303.098064	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1375317"	119.123124	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1395000"	137.1331	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"289219"	309.278876	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"683827"	463.414676	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1365283"	155.143076	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"136348"	155.143076	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"578098"	232.210976	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1046897"	78.075176	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"213701"	103.764476	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"652170"	155.143076	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1170661"	52.385876	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"436487"	326.305423	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"794578"	480.441223	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1687627"	172.169623	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"340279"	163.6563495	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"733794"	240.7242495	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1484333"	86.5884495	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"400827"	331.260818	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"758540"	485.396618	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1607733"	177.125018	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"316679"	166.134047	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"713475"	243.201947	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1461583"	89.066147	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1055072"	59.71319	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1263311"	187.169286	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"388444"	347.234758	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"747252"	501.370558	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1551493"	193.098958	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"302108"	174.121017	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"698903"	251.188917	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1459285"	97.053117	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"249833"	350.305426	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1220230"	196.169626	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1207030"	98.588451	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"201363"	353.24276	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"638009"	507.37856	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1136775"	199.10696	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"185903"	177.125018	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"627169"	254.192918	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1128970"	100.057118	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1412741"	67.040504	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1443895"	201.148546	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"234438"	182.15804	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1523101"	215.20059	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"422067"	185.111988	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"782699"	262.179888	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1680243"	108.044088	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"262630"	372.287368	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1239349"	218.151568	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1725322"	218.175093	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1192497"	74.367818	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1663118"	223.130488	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"170349"	385.19064	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"608088"	539.32644	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1096968"	231.05484	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"155249"	193.098958	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"595297"	270.166858	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1080051"	116.031058	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1102323"	233.069392	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1335790"	233.157007	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1009424"	237.196176	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1536297"	238.189808	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1003839"	119.101726	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1599435"	239.104428	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1428375"	269.135938	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1158660"	139.615001	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1704933"	286.162485	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641678"	291.11788	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1576235"	307.09182	"C11416"	"(1S2R4S)-Neo-dihydrocarveol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"815350"	186.1256	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M"	0
"987791"	167.10721	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"67285"	123.076457333333	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"506846"	185.118324	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"886834"	61.0345906666667	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"11971"	185.118324	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"449344"	278.181124	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"832134"	92.055524	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"94158"	371.243924	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"532536"	557.369524	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"909123"	185.118324	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"58876"	388.270471	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"498074"	574.396071	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"878063"	202.144871	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"41954"	393.225866	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"480424"	579.351466	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"863212"	207.100266	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1633476"	207.100266	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"106482"	203.106663	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"546040"	296.169463	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"939561"	110.043863	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"280915"	407.220602	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"674429"	593.346202	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1287440"	221.095002	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"28777"	409.199806	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"467243"	595.325406	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"846868"	223.074206	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1564160"	223.074206	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"952042"	231.123794	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"373173"	417.249401	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"354139"	431.265051	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1496411"	245.139451	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"962860"	253.105751	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"125380"	221.095002	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"564454"	314.157802	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1032164"	128.032202	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1246276"	265.044485	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1318199"	267.100472	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1333508"	289.082429	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"924932"	299.111186	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1298360"	335.087864	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1375427"	151.112924	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1394017"	169.1229	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"289329"	373.258476	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"683937"	559.384076	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1365758"	187.132876	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"135362"	187.132876	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"577114"	280.195676	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1045914"	94.070076	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"212718"	125.091009333333	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"651552"	187.132876	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1170406"	63.0491426666667	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"436962"	390.285023	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"795781"	576.410623	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1688831"	204.159423	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"340389"	195.6461495	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"732810"	288.7089495	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1486630"	102.5833495	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"400937"	395.240418	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"758651"	581.366018	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1606751"	209.114818	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"316789"	198.123847	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"711398"	291.186647	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1464126"	105.061047	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1056275"	70.3764566666667	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1264515"	219.159086	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"388554"	411.214358	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"747362"	597.339958	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1548323"	225.088758	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"301125"	206.110817	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"696827"	299.173617	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1459395"	113.048017	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"250185"	414.285026	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1222529"	228.159426	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1206776"	114.583351	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"201717"	417.22236	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"639212"	603.34796	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1136885"	231.09676	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"186868"	209.114818	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"626303"	302.177618	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1129079"	116.052018	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1409323"	77.7037706666667	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1445333"	233.138346	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"234663"	214.14784	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1522964"	247.19039	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"422542"	217.101788	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"784387"	310.164588	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1679986"	124.038988	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"264198"	436.266968	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1240070"	250.141368	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1727012"	250.164893	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1191637"	85.0310846666667	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1662499"	255.120288	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"170698"	449.17024	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"610747"	635.29584	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1097078"	263.04464	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"154994"	225.088758	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"595166"	318.151558	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1080161"	132.025958	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1102433"	265.059192	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1336630"	265.146807	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1006375"	269.185976	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1537380"	270.179608	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"1000669"	135.096626	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1598451"	271.094228	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1428485"	301.125738	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1160957"	155.609901	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1700669"	318.152285	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1639601"	323.10768	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1576345"	339.08162	"C11417"	"(3S)-6-Hydroxy-3-isopropenyl-heptanoate;6-Hydroxy-3-isopropenylheptanoate"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"816071"	168.115	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M"	0
"987538"	149.09661	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"72862"	111.069390666667	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"510236"	167.107724	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"888038"	55.0310573333333	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"15366"	167.107724	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"455170"	251.165224	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"832572"	83.050224	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"93660"	335.222724	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"534136"	503.337724	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"909233"	167.107724	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"58258"	352.249271	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"501222"	520.364271	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"873799"	184.134271	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"42064"	357.204666	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"483813"	525.319666	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"862592"	189.089666	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1632244"	189.089666	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"106597"	185.096063	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"548339"	269.153563	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"940647"	101.038563	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"281025"	371.199402	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"674663"	539.314402	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1287791"	203.084402	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"28887"	373.178606	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"467353"	541.293606	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"846982"	205.063606	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1566457"	205.063606	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"952152"	213.113194	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"374012"	381.228201	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"355342"	395.243851	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1496521"	227.128851	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"962970"	235.095151	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"124883"	203.084402	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"563471"	287.141902	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1036648"	119.026902	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1252947"	247.033885	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1317945"	249.089872	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1335079"	271.071829	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"925042"	281.100586	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1300657"	317.077264	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1379547"	133.102324	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1397046"	151.1123	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"294907"	337.237276	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"688422"	505.352276	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1363681"	169.122276	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H"	1.007276
"133287"	169.122276	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"577224"	253.179776	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1044931"	85.064776	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"210642"	113.083942666667	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"647286"	169.122276	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1169423"	57.0456093333333	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"429052"	354.263823	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"798807"	522.378823	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1687848"	186.148823	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"340501"	177.6355495	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"732920"	261.6930495	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1486739"	93.5780495	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"402140"	359.219218	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"762040"	527.334218	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1611234"	191.104218	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"320179"	180.113247	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"711508"	264.170747	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1465329"	96.055747	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1057479"	64.3729233333333	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1267905"	201.148486	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"388664"	375.193158	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"747472"	543.308158	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1549527"	207.078158	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K"	38.963158
"306703"	188.100217	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"700217"	272.157717	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1459505"	104.042717	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"249566"	378.263826	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1221908"	210.148826	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1207251"	105.578051	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"201583"	381.20116	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"639322"	549.31616	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1138455"	213.08616	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"186123"	191.104218	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624956"	275.161718	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1130978"	107.046718	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1412839"	71.7002373333333	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1445001"	215.127746	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"234894"	196.13724	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1523610"	229.17979	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"423014"	199.091188	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"783647"	283.148688	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1679489"	115.033688	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"262850"	400.245768	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1239571"	232.130768	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1724811"	232.154293	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1189803"	79.0275513333333	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1662609"	237.109688	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"168744"	413.14904	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"610124"	581.26404	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1097190"	245.03404	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"156196"	207.078158	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"596371"	291.135658	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1083556"	123.020658	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1102543"	247.048592	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1336252"	247.136207	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1006726"	251.175376	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1535425"	252.169008	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"996405"	126.091326	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1596374"	253.083628	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1427502"	283.115138	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1161070"	146.604601	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1704059"	300.141685	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1641898"	305.09708	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1576455"	321.07102	"C11418"	"(3S6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"815570"	184.1099	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M"	0
"988011"	165.09151	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"72972"	121.732657333333	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"510346"	183.102624	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"890335"	60.3626906666667	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"14744"	183.102624	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"452481"	275.157574	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"832153"	91.047674	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"93565"	367.212524	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"533610"	551.322424	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"909462"	183.102624	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"58368"	384.239071	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"501574"	568.348971	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"875370"	200.129171	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"43998"	389.194466	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"482830"	573.304366	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"861730"	205.084566	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1632354"	205.084566	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"108526"	201.090963	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"549787"	293.145913	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"940878"	109.036013	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"281865"	403.189202	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"675257"	587.299102	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1287171"	219.079302	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"31144"	405.168406	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"470630"	589.278306	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"847092"	221.058506	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1570945"	221.058506	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"954449"	229.108094	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"374486"	413.218001	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"352172"	427.233651	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1496631"	243.123751	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"963080"	251.090051	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"124020"	219.079302	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"564675"	311.134252	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1035910"	127.024352	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1256704"	263.028785	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1318055"	265.084772	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1335513"	287.066729	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"924058"	297.095486	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1302226"	333.072164	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1376741"	149.097224	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1396791"	167.1072	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"292831"	369.227076	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"687439"	553.336976	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1361605"	185.117176	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"132304"	185.117176	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"576240"	277.172126	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1043219"	93.062226	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"210752"	123.747209333333	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"646667"	185.117176	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1170626"	62.3772426666667	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"429162"	386.253623	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"798188"	570.363523	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1687958"	202.143723	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"341704"	193.6304495	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"734124"	285.6853995	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1485756"	101.5754995	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"403343"	391.209018	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"761059"	575.318918	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1610252"	207.099118	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"317009"	196.108147	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"709431"	288.163097	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1464710"	104.053197	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1057590"	69.7045566666667	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1261453"	217.143386	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"383308"	407.182958	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"744302"	591.292858	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1549636"	223.073058	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"306813"	204.095117	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"699234"	296.150067	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1457428"	112.040167	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"248947"	410.253626	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1222748"	226.143726	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1204808"	113.575501	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"197681"	413.19096	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"636153"	597.30086	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1137472"	229.08106	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"182954"	207.099118	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"624700"	299.154068	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1130517"	115.044168	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1411730"	77.0318706666667	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1445519"	231.122646	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"235001"	212.13214	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1523800"	245.17469	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"422759"	215.086088	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"785340"	307.141038	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1679357"	123.031138	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"263688"	432.235568	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1239801"	248.125668	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1726378"	248.149193	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1192950"	84.3591846666667	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1662719"	253.104588	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"171770"	445.13884	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"610234"	629.24874	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1097300"	261.02894	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"156064"	223.073058	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"597060"	315.128008	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1083297"	131.018108	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1103745"	263.043492	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1342319"	263.131107	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1006837"	267.170276	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1534442"	268.163908	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"998702"	134.088776	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1601468"	269.078528	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1427611"	299.110038	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1160084"	154.602051	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1709636"	316.136585	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1642008"	321.09198	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1576565"	337.06592	"C11419"	"(3S)-3-Isopropenyl-6-oxoheptanoate;(3S)-3-Isopropenyl-6-oxoheptanoic acid"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"816973"	186.1256	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M"	0
"989214"	167.10721	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"69804"	123.076457333333	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"510458"	185.118324	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"888260"	61.0345906666667	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"15466"	185.118324	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"454780"	278.181124	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"832473"	92.055524	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"93914"	371.243924	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"533475"	557.369524	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"909936"	185.118324	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"62249"	388.270471	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"502172"	574.396071	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"877665"	202.144871	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"43377"	393.225866	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"484032"	579.351466	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"858556"	207.100266	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1634006"	207.100266	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"105711"	203.106663	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"541992"	296.169463	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"928945"	110.043863	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"282829"	407.220602	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"675648"	593.346202	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1287856"	221.095002	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"31397"	409.199806	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"470864"	595.325406	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"847205"	223.074206	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1570897"	223.074206	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"957841"	231.123794	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"376058"	417.249401	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"360794"	431.265051	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1501117"	245.139451	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"970482"	253.105751	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"121575"	221.095002	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"565611"	314.157802	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1035774"	128.032202	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1257033"	265.044485	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1319885"	267.100472	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1332016"	289.082429	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"926964"	299.111186	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1302336"	335.087864	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1377944"	151.112924	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1397995"	169.1229	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"295127"	373.258476	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"690708"	559.384076	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1362808"	187.132876	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"134604"	187.132876	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"574165"	280.195676	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1045516"	94.070076	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"217426"	125.091009333333	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"655891"	187.132876	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1171830"	63.0491426666667	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"432188"	390.285023	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"799391"	576.410623	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1690254"	204.159423	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"337440"	195.6461495	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"735329"	288.7089495	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1489147"	102.5833495	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"404547"	395.240418	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"763355"	581.366018	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1612547"	209.114818	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"319305"	198.123847	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"713916"	291.186647	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1464456"	105.061047	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1058793"	70.3764566666667	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1265938"	219.159086	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"385606"	411.214358	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"748786"	597.339958	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1552662"	225.088758	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"310206"	206.110817	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"704813"	299.173617	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1458272"	113.048017	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"250275"	414.285026	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1222861"	228.159426	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1205652"	114.583351	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"199616"	417.22236	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"634076"	603.34796	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1136853"	231.09676	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"186343"	209.114818	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"624810"	302.177618	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1127222"	116.052018	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1411840"	77.7037706666667	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1445455"	233.138346	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"233652"	214.14784	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1523948"	247.19039	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"424087"	217.101788	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"783499"	310.164588	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1679463"	124.038988	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"261976"	436.266968	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1240397"	250.141368	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1727704"	250.164893	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1193917"	85.0310846666667	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1663193"	255.120288	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"172570"	449.17024	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"610708"	635.29584	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1096317"	263.04464	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"156824"	225.088758	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"597002"	318.151558	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1082558"	132.025958	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1107136"	265.059192	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1346802"	265.146807	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1014237"	269.185976	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1535645"	270.179608	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"996625"	135.096626	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1599875"	271.094228	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1429766"	301.125738	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1159102"	155.609901	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1707558"	318.152285	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1642118"	323.10768	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1576675"	339.08162	"C11420"	"(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"815790"	933.2146	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M"	0
"980577"	914.19621	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H2O-H"	-19.01839
"66633"	621.135790666667	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-3H"	-3.021828
"510567"	932.207324	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-3H"	-3.021828
"882901"	310.064257333333	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-3H"	-3.021828
"9132"	932.207324	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H"	-2.014552
"453068"	1398.814624	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H"	-2.014552
"831845"	465.600024	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H"	-2.014552
"93416"	1865.421924	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H"	-1.007276
"533709"	2798.636524	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H"	-1.007276
"908590"	932.207324	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H"	-1.007276
"60049"	1882.448471	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+NH4"	16.019271
"497786"	2815.663071	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+NH4"	16.019271
"877776"	949.233871	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+NH4"	16.019271
"40208"	1887.403866	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+Na"	20.974666
"483778"	2820.618466	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+Na"	20.974666
"858666"	954.189266	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+Na"	20.974666
"1632575"	954.189266	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na-2H"	20.974666
"105821"	950.195663	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H+Cl"	33.962126
"539916"	1416.802963	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H+Cl"	33.962126
"929055"	483.588363	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+Cl"	33.962126
"282571"	1901.398602	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Cl"	34.969402
"675620"	2834.613202	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Cl"	34.969402
"1287761"	968.184002	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl"	34.969402
"30679"	1903.377806	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+K"	36.948606
"470966"	2836.592406	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+K"	36.948606
"847921"	970.163206	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+K"	36.948606
"1570677"	970.163206	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K-2H"	36.948606
"953576"	978.212794	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+HCOOH"	44.998194
"375800"	1911.427401	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+HCOOH-H"	44.998201
"354581"	1925.443051	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Hac-H"	59.013851
"1500132"	992.228451	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Hac-H"	59.013851
"966581"	1000.194751	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+NaCOOH"	66.980151
"115489"	968.184002	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Cl"	69.938804
"564170"	1434.791302	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Cl"	69.938804
"1035884"	501.576702	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Cl"	69.938804
"1254367"	1012.133485	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Br"	78.918885
"1315723"	1014.189472	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+HCOOH"	80.974872
"1328845"	1036.171429	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+NaCOOH"	102.956829
"916621"	1046.200186	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+CF3COOH"	112.985586
"1292238"	1082.176864	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+CF3COOH"	148.962264
"1374772"	898.201924	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-2H2O"	-35.012676
"1390084"	916.2119	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-H2O"	-17.0027
"285393"	1867.436476	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H"	1.007276
"675991"	2800.651076	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H"	1.007276
"1364376"	934.221876	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H"	1.007276
"136901"	934.221876	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2H"	2.014552
"572088"	1400.829176	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2H"	2.014552
"1047446"	467.614576	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H"	2.014552
"215349"	623.150342666667	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H"	3.021828
"653814"	934.221876	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+3H"	3.021828
"1169753"	312.078809333333	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3H"	3.021828
"433027"	1884.463023	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+NH4"	18.033823
"797317"	2817.677623	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+NH4"	18.033823
"1690366"	951.248423	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4"	18.033823
"337551"	942.7351495	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+NH4"	19.041099
"733251"	1409.3424495	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+NH4"	19.041099
"1487068"	476.1278495	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+NH4"	19.041099
"402471"	1889.418418	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na"	22.989218
"761278"	2822.633018	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na"	22.989218
"1610470"	956.203818	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na"	22.989218
"315525"	945.212847	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+Na"	23.996494
"710745"	1411.820147	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+Na"	23.996494
"1461524"	478.605547	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+Na"	23.996494
"1052807"	319.406123333333	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H+Na"	25.00377
"1263861"	966.248086	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+CH3OH+H"	33.033486
"385715"	1905.392358	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+K"	38.963158
"744523"	2838.606958	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+K"	38.963158
"1547669"	972.177758	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K"	38.963158
"309220"	953.199817	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+K"	39.970434
"701277"	1419.807117	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+K"	39.970434
"1458745"	486.592517	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+K"	39.970434
"248440"	1908.463026	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+H"	42.033826
"1219689"	975.248426	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+H"	42.033826
"1204668"	488.127851	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+2H"	43.041102
"199360"	1911.40036	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na-H"	44.97116
"634184"	2844.61496	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na-H"	44.97116
"1138056"	978.18576	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na-H"	44.97116
"186452"	956.203818	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na"	45.978436
"628163"	1422.811118	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na"	45.978436
"1130371"	489.596518	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na"	45.978436
"1409763"	326.733437333333	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+2Na"	46.985712
"1445044"	980.227346	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+HCOOH"	47.012746
"235221"	961.23684	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H2O+2H"	56.04448
"1523896"	994.27939	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+H"	61.06479
"424030"	964.190788	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na+K"	61.952376
"783244"	1430.798088	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na+K"	61.952376
"1679937"	497.583488	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+K"	61.952376
"262085"	1930.444968	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+Na"	64.015768
"1239899"	997.230368	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+Na"	64.015768
"1726962"	997.253893	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+HCOOH"	64.039293
"1194135"	334.060751333333	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3Na"	68.967654
"1658929"	1002.209288	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+HCOOH"	68.994688
"169071"	1943.34824	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K-H"	76.91904
"609725"	2876.56284	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K-H"	76.91904
"1096427"	1010.13364	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K-H"	76.91904
"157075"	972.177758	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K"	77.926316
"596991"	1438.785058	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K"	77.926316
"1084096"	505.570458	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K"	77.926316
"1111623"	1012.148192	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K+H"	78.933592
"1348007"	1012.235807	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+DMSO+H"	79.021207
"1015441"	1016.274976	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+H"	83.060376
"1536848"	1017.268608	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+Na+H"	84.054008
"1000014"	508.641126	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+2H"	84.067652
"1601685"	1018.183228	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+HCOOH"	84.968628
"1429872"	1048.214738	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+CF3COOH"	115.000138
"1159212"	529.154401	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3ACN+2H"	125.094202
"1708762"	1065.241285	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+CF3COOH"	132.026685
"1642228"	1070.19668	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+CF3COOH"	136.98208
"1576785"	1086.17062	"C11421"	"(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+CF3COOH"	152.95602
"815900"	178.0783	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M"	0
"980687"	159.05991	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-H2O-H"	-19.01839
"66742"	117.711590666667	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M-3H"	-3.021828
"510677"	177.071024	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M-3H"	-3.021828
"884104"	58.3521573333333	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-3H"	-3.021828
"9242"	177.071024	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M-2H"	-2.014552
"452084"	266.110174	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M-2H"	-2.014552
"831957"	88.031874	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-2H"	-2.014552
"93042"	355.149324	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M-H"	-1.007276
"533575"	533.227624	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M-H"	-1.007276
"908944"	177.071024	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-H"	-1.007276
"60767"	372.175871	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M-2H+NH4"	16.019271
"499717"	550.254171	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M-2H+NH4"	16.019271
"877523"	194.097571	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-2H+NH4"	16.019271
"42504"	377.131266	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M-2H+Na"	20.974666
"483159"	555.209566	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M-2H+Na"	20.974666
"862056"	199.052966	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-2H+Na"	20.974666
"1633172"	199.052966	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Na-2H"	20.974666
"105931"	195.059363	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M-H+Cl"	33.962126
"540026"	284.098513	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M-H+Cl"	33.962126
"930621"	106.020213	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-H+Cl"	33.962126
"281706"	391.126002	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+Cl"	34.969402
"675100"	569.204302	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+Cl"	34.969402
"1287502"	213.047702	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Cl"	34.969402
"30907"	393.105206	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M-2H+K"	36.948606
"469983"	571.183506	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M-2H+K"	36.948606
"846691"	215.026906	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-2H+K"	36.948606
"1569084"	215.026906	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+K-2H"	36.948606
"952592"	223.076494	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-H+HCOOH"	44.998194
"369714"	401.154801	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+HCOOH-H"	44.998201
"354689"	415.170451	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+Hac-H"	59.013851
"1498055"	237.092151	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Hac-H"	59.013851
"966691"	245.058451	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-H+NaCOOH"	66.980151
"115599"	213.047702	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+2Cl"	69.938804
"564888"	302.086852	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+2Cl"	69.938804
"1035630"	124.008552	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2Cl"	69.938804
"1253384"	256.997185	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Br"	78.918885
"1315833"	259.053172	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Cl+HCOOH"	80.974872
"1328955"	281.035129	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Cl+NaCOOH"	102.956829
"917824"	291.063886	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M-H+CF3COOH"	112.985586
"1290888"	327.040564	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Cl+CF3COOH"	148.962264
"1371602"	143.065624	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H-2H2O"	-35.012676
"1388007"	161.0756	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H-H2O"	-17.0027
"285503"	357.163876	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+H"	1.007276
"677924"	535.242176	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+H"	1.007276
"1361932"	179.085576	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H"	1.007276
"137011"	179.085576	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+2H"	2.014552
"574384"	268.124726	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+2H"	2.014552
"1045369"	90.046426	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2H"	2.014552
"214364"	119.726142666667	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+3H"	3.021828
"650644"	179.085576	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+3H"	3.021828
"1169862"	60.3667093333333	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+3H"	3.021828
"429855"	374.190423	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+NH4"	18.033823
"789756"	552.268723	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+NH4"	18.033823
"1692658"	196.112123	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+NH4"	18.033823
"337659"	187.5988495	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+H+NH4"	19.041099
"731173"	276.6379995	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+H+NH4"	19.041099
"1487180"	98.5596995	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H+NH4"	19.041099
"403674"	379.145818	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+Na"	22.989218
"761391"	557.224118	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+Na"	22.989218
"1609490"	201.067518	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Na"	22.989218
"314582"	190.076547	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+H+Na"	23.996494
"710855"	279.115697	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+H+Na"	23.996494
"1462853"	101.037397	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H+Na"	23.996494
"1055733"	67.6940233333333	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2H+Na"	25.00377
"1267251"	211.111786	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+CH3OH+H"	33.033486
"386918"	395.119758	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+K"	38.963158
"744633"	573.198058	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+K"	38.963158
"1547779"	217.041458	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+K"	38.963158
"309330"	198.063517	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+H+K"	39.970434
"701751"	287.102667	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+H+K"	39.970434
"1460193"	109.024367	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H+K"	39.970434
"248914"	398.190426	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+ACN+H"	42.033826
"1221256"	220.112126	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+ACN+H"	42.033826
"1206600"	110.559701	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+ACN+2H"	43.041102
"200198"	401.12776	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+2Na-H"	44.97116
"637574"	579.20606	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+2Na-H"	44.97116
"1138895"	223.04946	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2Na-H"	44.97116
"183282"	201.067518	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+2Na"	45.978436
"626369"	290.106668	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+2Na"	45.978436
"1128536"	112.028368	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2Na"	45.978436
"1410240"	75.0213373333333	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H+2Na"	46.985712
"1444911"	225.091046	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H+HCOOH"	47.012746
"232782"	206.10054	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+3H2O+2H"	56.04448
"1523885"	239.14309	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+IsoProp+H"	61.06479
"422722"	209.054488	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+Na+K"	61.952376
"782991"	298.093638	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+Na+K"	61.952376
"1678590"	120.015338	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Na+K"	61.952376
"261831"	420.172368	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+ACN+Na"	64.015768
"1236729"	242.094068	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+ACN+Na"	64.015768
"1723426"	242.117593	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+NH4+HCOOH"	64.039293
"1194053"	82.3486513333333	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+3Na"	68.967654
"1657581"	247.072988	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Na+HCOOH"	68.994688
"168088"	433.07564	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+2K-H"	76.91904
"606189"	611.15394	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+2K-H"	76.91904
"1096534"	254.99734	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2K-H"	76.91904
"155175"	217.041458	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"2M+2K"	77.926316
"596930"	306.080608	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"3M+2K"	77.926316
"1084154"	128.002308	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2K"	77.926316
"1115465"	257.011892	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2K+H"	78.933592
"1348118"	257.099507	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+DMSO+H"	79.021207
"1014459"	261.138676	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2ACN+H"	83.060376
"1538902"	262.132308	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+IsoProp+Na+H"	84.054008
"1000124"	131.072976	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+2ACN+2H"	84.067652
"1601431"	263.046928	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+K+HCOOH"	84.968628
"1429803"	293.078438	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+H+CF3COOH"	115.000138
"1159322"	151.586251	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+3ACN+2H"	125.094202
"1706685"	310.104985	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+NH4+CF3COOH"	132.026685
"1642338"	315.06038	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+Na+CF3COOH"	136.98208
"1576895"	331.03432	"C11422"	"Phenanthrene;Phenanthracene"	"C14H10"	"178.0783"	"M+K+CF3COOH"	152.95602
"816010"	242.0579	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M"	0
"984077"	223.03951	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-H2O-H"	-19.01839
"70134"	160.364657333333	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M-3H"	-3.021828
"510788"	241.050624	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M-3H"	-3.021828
"888590"	79.6786906666667	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-3H"	-3.021828
"13727"	241.050624	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M-2H"	-2.014552
"454381"	362.079574	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M-2H"	-2.014552
"831821"	120.021674	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-2H"	-2.014552
"93395"	483.108524	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M-H"	-1.007276
"533318"	725.166424	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M-H"	-1.007276
"909537"	241.050624	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-H"	-1.007276
"60998"	500.135071	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M-2H+NH4"	16.019271
"497640"	742.192971	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M-2H+NH4"	16.019271
"877512"	258.077171	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-2H+NH4"	16.019271
"43707"	505.090466	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M-2H+Na"	20.974666
"484362"	747.148366	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M-2H+Na"	20.974666
"861073"	263.032566	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-2H+Na"	20.974666
"1626232"	263.032566	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Na-2H"	20.974666
"99480"	259.038963	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M-H+Cl"	33.962126
"541228"	380.067913	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M-H+Cl"	33.962126
"928908"	138.010013	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-H+Cl"	33.962126
"282182"	519.085202	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+Cl"	34.969402
"672288"	761.143102	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+Cl"	34.969402
"1286765"	277.027302	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Cl"	34.969402
"29926"	521.064406	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M-2H+K"	36.948606
"470096"	763.122306	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M-2H+K"	36.948606
"846440"	279.006506	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-2H+K"	36.948606
"1569923"	279.006506	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+K-2H"	36.948606
"955982"	287.056094	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-H+HCOOH"	44.998194
"373104"	529.114001	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+HCOOH-H"	44.998201
"355892"	543.129651	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+Hac-H"	59.013851
"1500353"	301.071751	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Hac-H"	59.013851
"963521"	309.038051	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-H+NaCOOH"	66.980151
"115709"	277.027302	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+2Cl"	69.938804
"561840"	398.056252	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+2Cl"	69.938804
"1028452"	155.998352	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2Cl"	69.938804
"1248031"	320.976785	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Br"	78.918885
"1312666"	323.032772	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Cl+HCOOH"	80.974872
"1325784"	345.014729	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Cl+NaCOOH"	102.956829
"915750"	355.043486	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M-H+CF3COOH"	112.985586
"1295739"	391.020164	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Cl+CF3COOH"	148.962264
"1370253"	207.045224	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H-2H2O"	-35.012676
"1385929"	225.0552	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H-H2O"	-17.0027
"286710"	485.123076	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+H"	1.007276
"682412"	727.180976	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+H"	1.007276
"1362044"	243.065176	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H"	1.007276
"130562"	243.065176	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+2H"	2.014552
"575588"	364.094126	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+2H"	2.014552
"1040012"	122.036226	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2H"	2.014552
"207914"	162.379209333333	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+3H"	3.021828
"646013"	243.065176	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+3H"	3.021828
"1167056"	81.6932426666667	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+3H"	3.021828
"427779"	502.149623	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+NH4"	18.033823
"792058"	744.207523	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+NH4"	18.033823
"1690581"	260.091723	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+NH4"	18.033823
"337769"	251.5784495	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+H+NH4"	19.041099
"734566"	372.6073995	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+H+NH4"	19.041099
"1487291"	130.5494995	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H+NH4"	19.041099
"404878"	507.105018	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+Na"	22.989218
"763687"	749.162918	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+Na"	22.989218
"1610693"	265.047118	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Na"	22.989218
"315260"	254.056147	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+H+Na"	23.996494
"712059"	375.085097	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+H+Na"	23.996494
"1461741"	133.027197	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H+Na"	23.996494
"1053770"	89.0205566666667	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2H+Na"	25.00377
"1262989"	275.091386	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+CH3OH+H"	33.033486
"384844"	523.078958	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+K"	38.963158
"749848"	765.136858	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+K"	38.963158
"1552996"	281.021058	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+K"	38.963158
"310533"	262.043117	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+H+K"	39.970434
"699674"	383.072067	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+H+K"	39.970434
"1457507"	141.014167	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H+K"	39.970434
"246839"	526.149626	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+ACN+H"	42.033826
"1221735"	284.091726	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+ACN+H"	42.033826
"1206711"	142.549501	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+ACN+2H"	43.041102
"200308"	529.08696	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+2Na-H"	44.97116
"637684"	771.14486	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+2Na-H"	44.97116
"1139005"	287.02906	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2Na-H"	44.97116
"186308"	265.047118	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+2Na"	45.978436
"626846"	386.076068	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+2Na"	45.978436
"1127189"	144.018168	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2Na"	45.978436
"1409986"	96.3478706666667	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H+2Na"	46.985712
"1443927"	289.070646	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H+HCOOH"	47.012746
"232892"	270.08014	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+3H2O+2H"	56.04448
"1523386"	303.12269	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+IsoProp+H"	61.06479
"421739"	273.034088	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+Na+K"	61.952376
"782004"	394.063038	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+Na+K"	61.952376
"1680038"	152.005138	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Na+K"	61.952376
"263037"	548.131568	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+ACN+Na"	64.015768
"1239392"	306.073668	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+ACN+Na"	64.015768
"1726698"	306.097193	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+NH4+HCOOH"	64.039293
"1194187"	103.675184666667	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+3Na"	68.967654
"1661337"	311.052588	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Na+HCOOH"	68.994688
"172661"	561.03484	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+2K-H"	76.91904
"605570"	803.09274	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+2K-H"	76.91904
"1097619"	318.97694	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2K-H"	76.91904
"152368"	281.021058	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"2M+2K"	77.926316
"597094"	402.050008	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"3M+2K"	77.926316
"1083255"	159.992108	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2K"	77.926316
"1115615"	320.991492	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2K+H"	78.933592
"1348228"	321.079107	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+DMSO+H"	79.021207
"1016757"	325.118276	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2ACN+H"	83.060376
"1533787"	326.111908	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+IsoProp+Na+H"	84.054008
"1003152"	163.062776	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+2ACN+2H"	84.067652
"1599840"	327.026528	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+K+HCOOH"	84.968628
"1428050"	357.058038	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+H+CF3COOH"	115.000138
"1158339"	183.576051	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+3ACN+2H"	125.094202
"1703517"	374.084585	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+NH4+CF3COOH"	132.026685
"1642448"	379.03998	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+Na+CF3COOH"	136.98208
"1577005"	395.01392	"C11425"	"2-Hydroxy-2H-benzohchromene-2-carboxylate"	"C14H10O4"	"242.0579"	"M+K+CF3COOH"	152.95602
"816120"	242.0579	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M"	0
"984187"	223.03951	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-H2O-H"	-19.01839
"77533"	160.364657333333	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M-3H"	-3.021828
"518482"	241.050624	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M-3H"	-3.021828
"895019"	79.6786906666667	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-3H"	-3.021828
"15505"	241.050624	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M-2H"	-2.014552
"455516"	362.079574	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M-2H"	-2.014552
"832181"	120.021674	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-2H"	-2.014552
"92902"	483.108524	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M-H"	-1.007276
"533558"	725.166424	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M-H"	-1.007276
"910506"	241.050624	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-H"	-1.007276
"62671"	500.135071	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M-2H+NH4"	16.019271
"501030"	742.192971	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M-2H+NH4"	16.019271
"879446"	258.077171	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-2H+NH4"	16.019271
"46614"	505.090466	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M-2H+Na"	20.974666
"477911"	747.148366	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M-2H+Na"	20.974666
"856808"	263.032566	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-2H+Na"	20.974666
"1622695"	263.032566	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Na-2H"	20.974666
"100683"	259.038963	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M-H+Cl"	33.962126
"540246"	380.067913	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M-H+Cl"	33.962126
"930842"	138.010013	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-H+Cl"	33.962126
"282290"	519.085202	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+Cl"	34.969402
"671305"	761.143102	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+Cl"	34.969402
"1286995"	277.027302	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Cl"	34.969402
"30156"	521.064406	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M-2H+K"	36.948606
"469108"	763.122306	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M-2H+K"	36.948606
"847279"	279.006506	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-2H+K"	36.948606
"1570397"	279.006506	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+K-2H"	36.948606
"956092"	287.056094	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-H+HCOOH"	44.998194
"372121"	529.114001	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+HCOOH-H"	44.998201
"361105"	543.129651	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+Hac-H"	59.013851
"1500460"	301.071751	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Hac-H"	59.013851
"961440"	309.038051	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-H+NaCOOH"	66.980151
"113261"	277.027302	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+2Cl"	69.938804
"553185"	398.056252	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+2Cl"	69.938804
"1032935"	155.998352	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2Cl"	69.938804
"1252513"	320.976785	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Br"	78.918885
"1311682"	323.032772	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Cl+HCOOH"	80.974872
"1328084"	345.014729	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Cl+NaCOOH"	102.956829
"921328"	355.043486	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M-H+CF3COOH"	112.985586
"1293662"	391.020164	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Cl+CF3COOH"	148.962264
"1372914"	207.045224	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H-2H2O"	-35.012676
"1386040"	225.0552	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H-H2O"	-17.0027
"284633"	485.123076	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+H"	1.007276
"686533"	727.180976	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+H"	1.007276
"1361061"	243.065176	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H"	1.007276
"137233"	243.065176	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+2H"	2.014552
"576794"	364.094126	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+2H"	2.014552
"1047783"	122.036226	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2H"	2.014552
"211312"	162.379209333333	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+3H"	3.021828
"654151"	243.065176	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+3H"	3.021828
"1168997"	81.6932426666667	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+3H"	3.021828
"433362"	502.149623	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+NH4"	18.033823
"794358"	744.207523	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+NH4"	18.033823
"1687409"	260.091723	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+NH4"	18.033823
"335688"	251.5784495	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+H+NH4"	19.041099
"730296"	372.6073995	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+H+NH4"	19.041099
"1489592"	130.5494995	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H+NH4"	19.041099
"407176"	507.105018	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+Na"	22.989218
"767078"	749.162918	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+Na"	22.989218
"1614083"	265.047118	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Na"	22.989218
"320841"	254.056147	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+H+Na"	23.996494
"716180"	375.085097	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+H+Na"	23.996494
"1469270"	133.027197	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H+Na"	23.996494
"1061422"	89.0205566666667	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2H+Na"	25.00377
"1264195"	275.091386	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+CH3OH+H"	33.033486
"388237"	523.078958	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+K"	38.963158
"752148"	765.136858	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+K"	38.963158
"1554567"	281.021058	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+K"	38.963158
"313566"	262.043117	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+H+K"	39.970434
"706682"	383.072067	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+H+K"	39.970434
"1460991"	141.014167	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H+K"	39.970434
"250808"	526.149626	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+ACN+H"	42.033826
"1225594"	284.091726	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+ACN+H"	42.033826
"1209888"	142.549501	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+ACN+2H"	43.041102
"204132"	529.08696	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+2Na-H"	44.97116
"641807"	771.14486	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+2Na-H"	44.97116
"1139115"	287.02906	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2Na-H"	44.97116
"185695"	265.047118	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+2Na"	45.978436
"625619"	386.076068	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+2Na"	45.978436
"1127663"	144.018168	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2Na"	45.978436
"1406813"	96.3478706666667	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H+2Na"	46.985712
"1443673"	289.070646	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H+HCOOH"	47.012746
"231543"	270.08014	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+3H2O+2H"	56.04448
"1519974"	303.12269	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+IsoProp+H"	61.06479
"418934"	273.034088	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+Na+K"	61.952376
"778834"	394.063038	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+Na+K"	61.952376
"1677352"	152.005138	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Na+K"	61.952376
"262420"	548.131568	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+ACN+Na"	64.015768
"1237681"	306.073668	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+ACN+Na"	64.015768
"1726201"	306.097193	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+NH4+HCOOH"	64.039293
"1190465"	103.675184666667	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+3Na"	68.967654
"1663634"	311.052588	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Na+HCOOH"	68.994688
"171590"	561.03484	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+2K-H"	76.91904
"607868"	803.09274	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+2K-H"	76.91904
"1096757"	318.97694	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2K-H"	76.91904
"153570"	281.021058	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"2M+2K"	77.926316
"596674"	402.050008	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"3M+2K"	77.926316
"1082878"	159.992108	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2K"	77.926316
"1115199"	320.991492	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2K+H"	78.933592
"1348339"	321.079107	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+DMSO+H"	79.021207
"1014681"	325.118276	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2ACN+H"	83.060376
"1532805"	326.111908	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+IsoProp+Na+H"	84.054008
"1001440"	163.062776	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+2ACN+2H"	84.067652
"1597035"	327.026528	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+K+HCOOH"	84.968628
"1425973"	357.058038	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+H+CF3COOH"	115.000138
"1155169"	183.576051	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+3ACN+2H"	125.094202
"1704721"	374.084585	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+NH4+CF3COOH"	132.026685
"1642558"	379.03998	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+Na+CF3COOH"	136.98208
"1577115"	395.01392	"C11426"	"cis-4-(1-Hydroxynaphth-2-yl)-2-oxobut-3-enoate"	"C14H10O4"	"242.0579"	"M+K+CF3COOH"	152.95602
"815866"	172.0524	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M"	0
"984297"	153.03401	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-H2O-H"	-19.01839
"75820"	113.694324	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M-3H"	-3.021828
"507728"	171.045124	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M-3H"	-3.021828
"882248"	56.343524	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-3H"	-3.021828
"6290"	171.045124	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M-2H"	-2.014552
"450226"	257.071324	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M-2H"	-2.014552
"832678"	85.018924	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-2H"	-2.014552
"94142"	343.097524	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M-H"	-1.007276
"529769"	515.149924	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M-H"	-1.007276
"907570"	171.045124	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-H"	-1.007276
"60851"	360.124071	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M-2H+NH4"	16.019271
"494944"	532.176471	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M-2H+NH4"	16.019271
"879824"	188.071671	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-2H+NH4"	16.019271
"40647"	365.079466	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M-2H+Na"	20.974666
"478021"	537.131866	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M-2H+Na"	20.974666
"855825"	193.027066	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-2H+Na"	20.974666
"1622440"	193.027066	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Na-2H"	20.974666
"99696"	189.033463	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M-H+Cl"	33.962126
"541449"	275.059663	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M-H+Cl"	33.962126
"931316"	103.007263	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-H+Cl"	33.962126
"282686"	379.074202	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+Cl"	34.969402
"671415"	551.126602	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+Cl"	34.969402
"1287104"	207.021802	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Cl"	34.969402
"29658"	381.053406	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M-2H+K"	36.948606
"469218"	553.105806	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M-2H+K"	36.948606
"847387"	209.001006	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-2H+K"	36.948606
"1570143"	209.001006	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+K-2H"	36.948606
"956202"	217.050594	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-H+HCOOH"	44.998194
"372231"	389.103001	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+HCOOH-H"	44.998201
"360122"	403.118651	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+Hac-H"	59.013851
"1500570"	231.066251	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Hac-H"	59.013851
"964830"	239.032551	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-H+NaCOOH"	66.980151
"113737"	207.021802	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+2Cl"	69.938804
"552203"	293.048002	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+2Cl"	69.938804
"1033045"	120.995602	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2Cl"	69.938804
"1251530"	250.971285	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Br"	78.918885
"1311792"	253.027272	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Cl+HCOOH"	80.974872
"1326006"	275.009229	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Cl+NaCOOH"	102.956829
"920345"	285.037986	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M-H+CF3COOH"	112.985586
"1297049"	321.014664	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Cl+CF3COOH"	148.962264
"1371931"	137.039724	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H-2H2O"	-35.012676
"1388335"	155.0497	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H-H2O"	-17.0027
"288020"	345.112076	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+H"	1.007276
"687007"	517.164476	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+H"	1.007276
"1361171"	173.059676	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H"	1.007276
"131874"	173.059676	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+2H"	2.014552
"576902"	259.085876	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+2H"	2.014552
"1046800"	87.033476	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2H"	2.014552
"207776"	115.708876	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+3H"	3.021828
"652074"	173.059676	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+3H"	3.021828
"1172385"	58.358076	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+3H"	3.021828
"429462"	362.138623	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+NH4"	18.033823
"794467"	534.191023	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+NH4"	18.033823
"1684967"	190.086223	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+NH4"	18.033823
"333610"	181.5729495	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+H+NH4"	19.041099
"730406"	267.5991495	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+H+NH4"	19.041099
"1488609"	95.5467495	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H+NH4"	19.041099
"406191"	367.094018	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+Na"	22.989218
"765001"	539.146418	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+Na"	22.989218
"1610913"	195.041618	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Na"	22.989218
"318765"	184.050647	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+H+Na"	23.996494
"716654"	270.076847	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+H+Na"	23.996494
"1465006"	98.024447	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H+Na"	23.996494
"1060439"	65.68539	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2H+Na"	25.00377
"1265398"	205.085886	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+CH3OH+H"	33.033486
"382880"	383.067958	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+K"	38.963158
"747155"	555.120358	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+K"	38.963158
"1551395"	211.015558	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+K"	38.963158
"312217"	192.037617	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+H+K"	39.970434
"704276"	278.063817	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+H+K"	39.970434
"1461017"	106.011417	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H+K"	39.970434
"251201"	386.138626	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+ACN+H"	42.033826
"1225000"	214.086226	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+ACN+H"	42.033826
"1209368"	107.546751	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+ACN+2H"	43.041102
"203450"	389.07596	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+2Na-H"	44.97116
"641185"	561.12836	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+2Na-H"	44.97116
"1138131"	217.02356	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2Na-H"	44.97116
"185437"	195.041618	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+2Na"	45.978436
"626818"	281.067818	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+2Na"	45.978436
"1128866"	109.015418	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2Na"	45.978436
"1403643"	73.012704	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H+2Na"	46.985712
"1441592"	219.065146	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H+HCOOH"	47.012746
"232381"	200.07464	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+3H2O+2H"	56.04448
"1522996"	233.11719	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+IsoProp+H"	61.06479
"419771"	203.028588	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+Na+K"	61.952376
"782222"	289.054788	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+Na+K"	61.952376
"1677824"	117.002388	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Na+K"	61.952376
"259980"	408.120568	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+ACN+Na"	64.015768
"1234148"	236.068168	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+ACN+Na"	64.015768
"1723760"	236.091693	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+NH4+HCOOH"	64.039293
"1190938"	80.340018	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+3Na"	68.967654
"1662651"	241.047088	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Na+HCOOH"	68.994688
"168419"	421.02384	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+2K-H"	76.91904
"607977"	593.07624	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+2K-H"	76.91904
"1095774"	248.97144	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2K-H"	76.91904
"151493"	211.015558	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"2M+2K"	77.926316
"596163"	297.041758	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"3M+2K"	77.926316
"1079944"	124.989358	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2K"	77.926316
"1113156"	250.985992	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2K+H"	78.933592
"1347354"	251.073607	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+DMSO+H"	79.021207
"1019166"	255.112776	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2ACN+H"	83.060376
"1531820"	256.106408	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+IsoProp+Na+H"	84.054008
"999362"	128.060026	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+2ACN+2H"	84.067652
"1597145"	257.021028	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+K+HCOOH"	84.968628
"1420615"	287.052538	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+H+CF3COOH"	115.000138
"1155279"	148.573301	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+3ACN+2H"	125.094202
"1702644"	304.079085	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+NH4+CF3COOH"	132.026685
"1642668"	309.03448	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+Na+CF3COOH"	136.98208
"1575038"	325.00842	"C11427"	"1-Hydroxy-2-naphthaldehyde"	"C11H8O2"	"172.0524"	"M+K+CF3COOH"	152.95602
"816219"	212.0837	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M"	0
"984407"	193.06531	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"74837"	140.381857333333	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"507838"	211.076424	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"886732"	69.6872906666667	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"5306"	211.076424	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"449243"	317.118274	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"832276"	105.034574	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"92507"	423.160124	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"529879"	635.243824	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"906587"	211.076424	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"59868"	440.186671	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"495054"	652.270371	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"878205"	228.102971	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"40757"	445.142066	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"478131"	657.225766	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"855935"	233.058366	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1621092"	233.058366	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"97256"	229.064763	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"543746"	335.106613	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"935072"	123.022913	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"281902"	459.136802	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"673711"	671.220502	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1285027"	247.053102	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"28312"	461.116006	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"469328"	673.199706	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"847861"	249.032306	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1570253"	249.032306	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"956311"	257.081894	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"371246"	469.165601	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"359138"	483.181251	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1500680"	271.097551	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"964940"	279.063851	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"116034"	247.053102	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"553407"	353.094952	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1033155"	141.011252	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1251639"	291.002585	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1310809"	293.058572	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1326116"	315.040529	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"918268"	325.069286	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1297160"	361.045964	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1373134"	177.071024	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1390631"	195.081	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"288130"	425.174676	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"687117"	637.258376	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1362374"	213.090976	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"134170"	213.090976	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"573732"	319.132826	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1046909"	107.049126	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"208615"	142.396409333333	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"649997"	213.090976	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1170308"	71.7018426666667	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"431395"	442.201223	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"796399"	654.284923	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1686535"	230.117523	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"334814"	221.6042495	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"729423"	327.6460995	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1489446"	115.5623995	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"403019"	447.156618	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"765106"	659.240318	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1613210"	235.072918	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"318875"	224.081947	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"712390"	330.123797	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1466209"	118.040097	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1058362"	79.0291566666667	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1264415"	245.117186	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"385176"	463.130558	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"747265"	675.214258	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1552598"	251.046858	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"312690"	232.068917	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"706843"	338.110767	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1461005"	126.027067	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"251189"	466.201226	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1224990"	254.117526	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1209114"	127.562401	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"201739"	469.13856	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"643119"	681.22226	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1139334"	257.05486	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"185547"	235.072918	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"624375"	341.114768	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1128613"	129.031068	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1404846"	86.3564706666667	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1441702"	259.096446	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"232856"	240.10594	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1522013"	273.14849	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"417689"	243.059888	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"779413"	349.101738	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1674652"	137.018038	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"260452"	488.183168	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1236444"	276.099468	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1723139"	276.122993	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1189587"	93.6837846666667	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1661667"	281.078388	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"167435"	501.08644	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"605901"	713.17014	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1094785"	289.00274	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"151603"	251.046858	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"595301"	357.088708	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1078960"	145.005008	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1113266"	291.017292	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1346367"	291.104907	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1020367"	295.144076	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1531932"	296.137708	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"999473"	148.075676	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1597256"	297.052328	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1420725"	327.083838	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1156482"	168.588951	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1701661"	344.110385	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1642778"	349.06578	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1574055"	365.03972	"C11428"	"trans-9(S)10(S)-Dihydrodiolphenanthrene"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"815357"	194.0732	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M"	0
"983424"	175.05481	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-H2O-H"	-19.01839
"76040"	128.374857333333	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M-3H"	-3.021828
"507948"	193.065924	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M-3H"	-3.021828
"881375"	63.6837906666667	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-3H"	-3.021828
"5416"	193.065924	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M-2H"	-2.014552
"449353"	290.102524	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M-2H"	-2.014552
"832507"	96.029324	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-2H"	-2.014552
"92375"	387.139124	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M-H"	-1.007276
"532054"	581.212324	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M-H"	-1.007276
"908883"	193.065924	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-H"	-1.007276
"59978"	404.165671	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M-2H+NH4"	16.019271
"495164"	598.238871	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M-2H+NH4"	16.019271
"876247"	210.092471	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-2H+NH4"	16.019271
"37951"	409.121066	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M-2H+Na"	20.974666
"478241"	603.194266	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M-2H+Na"	20.974666
"856045"	215.047866	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-2H+Na"	20.974666
"1621566"	215.047866	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Na-2H"	20.974666
"96999"	211.054263	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M-H+Cl"	33.962126
"543856"	308.090863	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M-H+Cl"	33.962126
"935182"	114.017663	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-H+Cl"	33.962126
"272648"	423.115802	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+Cl"	34.969402
"665071"	617.189002	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+Cl"	34.969402
"1278568"	229.042602	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Cl"	34.969402
"18938"	425.095006	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M-2H+K"	36.948606
"468341"	619.168206	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M-2H+K"	36.948606
"847603"	231.021806	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-2H+K"	36.948606
"1567444"	231.021806	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+K-2H"	36.948606
"955328"	239.071394	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-H+HCOOH"	44.998194
"373542"	433.144601	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+HCOOH-H"	44.998201
"349770"	447.160251	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+Hac-H"	59.013851
"1498603"	253.087051	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Hac-H"	59.013851
"962863"	261.053351	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-H+NaCOOH"	66.980151
"115050"	229.042602	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+2Cl"	69.938804
"552424"	326.079202	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+2Cl"	69.938804
"1036057"	132.006002	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2Cl"	69.938804
"1251749"	272.992085	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Br"	78.918885
"1310917"	275.048072	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Cl+HCOOH"	80.974872
"1326226"	297.030029	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Cl+NaCOOH"	102.956829
"914003"	307.058786	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M-H+CF3COOH"	112.985586
"1293989"	343.035464	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Cl+CF3COOH"	148.962264
"1372151"	159.060524	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H-2H2O"	-35.012676
"1385273"	177.0705	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H-H2O"	-17.0027
"287147"	389.153676	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+H"	1.007276
"687227"	583.226876	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+H"	1.007276
"1362484"	195.080476	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H"	1.007276
"134280"	195.080476	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+2H"	2.014552
"573842"	292.117076	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+2H"	2.014552
"1045926"	98.043876	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2H"	2.014552
"210547"	130.389409333333	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+3H"	3.021828
"651200"	195.080476	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+3H"	3.021828
"1170418"	65.6983426666667	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+3H"	3.021828
"431505"	406.180223	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+NH4"	18.033823
"796873"	600.253423	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+NH4"	18.033823
"1685552"	212.107023	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+NH4"	18.033823
"334924"	203.5937495	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+H+NH4"	19.041099
"729533"	300.6303495	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+H+NH4"	19.041099
"1484456"	106.5571495	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H+NH4"	19.041099
"403129"	411.135618	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+Na"	22.989218
"764123"	605.208818	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+Na"	22.989218
"1606761"	217.062418	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Na"	22.989218
"314439"	206.071447	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+H+Na"	23.996494
"708489"	303.108047	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+H+Na"	23.996494
"1465224"	109.034847	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H+Na"	23.996494
"1055190"	73.0256566666667	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2H+Na"	25.00377
"1262336"	227.106686	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+CH3OH+H"	33.033486
"382005"	427.109558	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+K"	38.963158
"744095"	621.182758	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+K"	38.963158
"1550521"	233.036358	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+K"	38.963158
"308789"	214.058417	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+H+K"	39.970434
"702304"	311.095017	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+H+K"	39.970434
"1458316"	117.021817	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H+K"	39.970434
"249105"	430.180226	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+ACN+H"	42.033826
"1223270"	236.107026	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+ACN+H"	42.033826
"1205696"	118.557151	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+ACN+2H"	43.041102
"201842"	433.11756	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+2Na-H"	44.97116
"639217"	627.19076	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+2Na-H"	44.97116
"1135070"	239.04436	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2Na-H"	44.97116
"178366"	217.062418	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+2Na"	45.978436
"624485"	314.099018	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+2Na"	45.978436
"1122523"	120.025818	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2Na"	45.978436
"1403129"	80.3529706666667	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H+2Na"	46.985712
"1442541"	241.085946	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H+HCOOH"	47.012746
"232845"	222.09544	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+3H2O+2H"	56.04448
"1521028"	255.13799	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+IsoProp+H"	61.06479
"417799"	225.049388	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+Na+K"	61.952376
"779887"	322.085988	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+Na+K"	61.952376
"1675126"	128.012788	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Na+K"	61.952376
"261655"	452.162168	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+ACN+Na"	64.015768
"1237648"	258.088968	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+ACN+Na"	64.015768
"1724342"	258.112493	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+NH4+HCOOH"	64.039293
"1189697"	87.6802846666667	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+3Na"	68.967654
"1661777"	263.067888	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Na+HCOOH"	68.994688
"167545"	465.06544	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+2K-H"	76.91904
"607104"	659.13864	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+2K-H"	76.91904
"1094895"	270.99224	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2K-H"	76.91904
"151713"	233.036358	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"2M+2K"	77.926316
"595289"	330.072958	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"3M+2K"	77.926316
"1081256"	135.999758	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2K"	77.926316
"1113012"	273.006792	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2K+H"	78.933592
"1347570"	273.094407	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+DMSO+H"	79.021207
"1020113"	277.133576	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2ACN+H"	83.060376
"1536415"	278.127208	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+IsoProp+Na+H"	84.054008
"1000676"	139.070426	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+2ACN+2H"	84.067652
"1598460"	279.041828	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+K+HCOOH"	84.968628
"1419741"	309.073338	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+H+CF3COOH"	115.000138
"1156592"	159.583701	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+3ACN+2H"	125.094202
"1702864"	326.099885	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+NH4+CF3COOH"	132.026685
"1642888"	331.05528	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+Na+CF3COOH"	136.98208
"1574165"	347.02922	"C11429"	"Phenanthrene-910-oxide"	"C14H10O"	"194.0732"	"M+K+CF3COOH"	152.95602
"816196"	194.0732	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M"	0
"983534"	175.05481	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-H2O-H"	-19.01839
"76150"	128.374857333333	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M-3H"	-3.021828
"506966"	193.065924	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M-3H"	-3.021828
"882578"	63.6837906666667	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-3H"	-3.021828
"5526"	193.065924	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M-2H"	-2.014552
"448370"	290.102524	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M-2H"	-2.014552
"828360"	96.029324	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-2H"	-2.014552
"90539"	387.139124	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M-H"	-1.007276
"526818"	581.212324	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M-H"	-1.007276
"905712"	193.065924	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-H"	-1.007276
"57901"	404.165671	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M-2H+NH4"	16.019271
"495274"	598.238871	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M-2H+NH4"	16.019271
"876357"	210.092471	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-2H+NH4"	16.019271
"38790"	409.121066	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M-2H+Na"	20.974666
"481631"	603.194266	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M-2H+Na"	20.974666
"856155"	215.047866	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-2H+Na"	20.974666
"1624228"	215.047866	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Na-2H"	20.974666
"96747"	211.054263	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M-H+Cl"	33.962126
"543966"	308.090863	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M-H+Cl"	33.962126
"936385"	114.017663	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-H+Cl"	33.962126
"274944"	423.115802	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+Cl"	34.969402
"666274"	617.189002	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+Cl"	34.969402
"1278678"	229.042602	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Cl"	34.969402
"19047"	425.095006	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M-2H+K"	36.948606
"468816"	619.168206	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M-2H+K"	36.948606
"847351"	231.021806	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-2H+K"	36.948606
"1569378"	231.021806	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+K-2H"	36.948606
"954345"	239.071394	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-H+HCOOH"	44.998194
"370373"	433.144601	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+HCOOH-H"	44.998201
"358994"	447.160251	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+Hac-H"	59.013851
"1500900"	253.087051	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Hac-H"	59.013851
"966253"	261.053351	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-H+NaCOOH"	66.980151
"115160"	229.042602	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+2Cl"	69.938804
"556908"	326.079202	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+2Cl"	69.938804
"1035194"	132.006002	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2Cl"	69.938804
"1252954"	272.992085	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Br"	78.918885
"1313215"	275.048072	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Cl+HCOOH"	80.974872
"1326336"	297.030029	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Cl+NaCOOH"	102.956829
"912292"	307.058786	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M-H+CF3COOH"	112.985586
"1290823"	343.035464	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Cl+CF3COOH"	148.962264
"1374452"	159.060524	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H-2H2O"	-35.012676
"1394138"	177.0705	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H-H2O"	-17.0027
"292729"	389.153676	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+H"	1.007276
"684058"	583.226876	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+H"	1.007276
"1365149"	195.080476	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H"	1.007276
"131111"	195.080476	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+2H"	2.014552
"573952"	292.117076	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+2H"	2.014552
"1044945"	98.043876	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2H"	2.014552
"210658"	130.389409333333	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+3H"	3.021828
"651310"	195.080476	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+3H"	3.021828
"1171621"	65.6983426666667	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+3H"	3.021828
"432707"	406.180223	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+NH4"	18.033823
"792609"	600.253423	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+NH4"	18.033823
"1688942"	212.107023	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+NH4"	18.033823
"341233"	203.5937495	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+H+NH4"	19.041099
"730744"	300.6303495	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+H+NH4"	19.041099
"1486750"	106.5571495	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H+NH4"	19.041099
"398871"	411.135618	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+Na"	22.989218
"763509"	605.208818	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+Na"	22.989218
"1607963"	217.062418	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Na"	22.989218
"315814"	206.071447	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+H+Na"	23.996494
"708351"	303.108047	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+H+Na"	23.996494
"1463875"	109.034847	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H+Na"	23.996494
"1056393"	73.0256566666667	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2H+Na"	25.00377
"1265728"	227.106686	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+CH3OH+H"	33.033486
"380657"	427.109558	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+K"	38.963158
"742017"	621.182758	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+K"	38.963158
"1547351"	233.036358	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+K"	38.963158
"309993"	214.058417	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+H+K"	39.970434
"702781"	311.095017	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+H+K"	39.970434
"1458426"	117.021817	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H+K"	39.970434
"248485"	430.180226	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+ACN+H"	42.033826
"1220829"	236.107026	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+ACN+H"	42.033826
"1206897"	118.557151	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+ACN+2H"	43.041102
"201952"	433.11756	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+2Na-H"	44.97116
"637140"	627.19076	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+2Na-H"	44.97116
"1136272"	239.04436	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2Na-H"	44.97116
"174465"	217.062418	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+2Na"	45.978436
"621315"	314.099018	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+2Na"	45.978436
"1120446"	120.025818	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2Na"	45.978436
"1403968"	80.3529706666667	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H+2Na"	46.985712
"1440099"	241.085946	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H+HCOOH"	47.012746
"227971"	222.09544	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+3H2O+2H"	56.04448
"1517127"	255.13799	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+IsoProp+H"	61.06479
"418999"	225.049388	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+Na+K"	61.952376
"775621"	322.085988	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+Na+K"	61.952376
"1674138"	128.012788	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Na+K"	61.952376
"260671"	452.162168	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+ACN+Na"	64.015768
"1238122"	258.088968	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+ACN+Na"	64.015768
"1724088"	258.112493	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+NH4+HCOOH"	64.039293
"1188713"	87.6802846666667	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+3Na"	68.967654
"1658607"	263.067888	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Na+HCOOH"	68.994688
"164374"	465.06544	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+2K-H"	76.91904
"605028"	659.13864	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+2K-H"	76.91904
"1092816"	270.99224	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2K-H"	76.91904
"149636"	233.036358	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"2M+2K"	77.926316
"596129"	330.072958	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"3M+2K"	77.926316
"1082459"	135.999758	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2K"	77.926316
"1112393"	273.006792	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2K+H"	78.933592
"1347685"	273.094407	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+DMSO+H"	79.021207
"1017306"	277.133576	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2ACN+H"	83.060376
"1536524"	278.127208	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+IsoProp+Na+H"	84.054008
"1001879"	139.070426	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+2ACN+2H"	84.067652
"1597474"	279.041828	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+K+HCOOH"	84.968628
"1425320"	309.073338	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+H+CF3COOH"	115.000138
"1151236"	159.583701	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+3ACN+2H"	125.094202
"1702974"	326.099885	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+NH4+CF3COOH"	132.026685
"1642998"	331.05528	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+Na+CF3COOH"	136.98208
"1574275"	347.02922	"C11430"	"9-Hydroxyphenanthrene;9-Phenanthrol"	"C14H10O"	"194.0732"	"M+K+CF3COOH"	152.95602
"816679"	194.0732	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M"	0
"988018"	175.05481	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-H2O-H"	-19.01839
"76260"	128.374857333333	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M-3H"	-3.021828
"508169"	193.065924	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M-3H"	-3.021828
"889249"	63.6837906666667	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-3H"	-3.021828
"8917"	193.065924	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M-2H"	-2.014552
"449574"	290.102524	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M-2H"	-2.014552
"828471"	96.029324	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-2H"	-2.014552
"89554"	387.139124	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M-H"	-1.007276
"526928"	581.212324	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M-H"	-1.007276
"902542"	193.065924	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-H"	-1.007276
"58011"	404.165671	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M-2H+NH4"	16.019271
"495384"	598.238871	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M-2H+NH4"	16.019271
"873187"	210.092471	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-2H+NH4"	16.019271
"38900"	409.121066	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M-2H+Na"	20.974666
"475544"	603.194266	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M-2H+Na"	20.974666
"852252"	215.047866	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-2H+Na"	20.974666
"1620692"	215.047866	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Na-2H"	20.974666
"96491"	211.054263	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M-H+Cl"	33.962126
"546266"	308.090863	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M-H+Cl"	33.962126
"939776"	114.017663	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-H+Cl"	33.962126
"275054"	423.115802	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+Cl"	34.969402
"665291"	617.189002	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+Cl"	34.969402
"1276965"	229.042602	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Cl"	34.969402
"19157"	425.095006	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M-2H+K"	36.948606
"469654"	619.168206	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M-2H+K"	36.948606
"844177"	231.021806	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-2H+K"	36.948606
"1568759"	231.021806	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+K-2H"	36.948606
"956642"	239.071394	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-H+HCOOH"	44.998194
"369389"	433.144601	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+HCOOH-H"	44.998201
"355824"	447.160251	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+Hac-H"	59.013851
"1501010"	253.087051	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Hac-H"	59.013851
"961989"	261.053351	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-H+NaCOOH"	66.980151
"111990"	229.042602	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+2Cl"	69.938804
"555925"	326.079202	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+2Cl"	69.938804
"1033482"	132.006002	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2Cl"	69.938804
"1251972"	272.992085	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Br"	78.918885
"1313328"	275.048072	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Cl+HCOOH"	80.974872
"1326446"	297.030029	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Cl+NaCOOH"	102.956829
"916411"	307.058786	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M-H+CF3COOH"	112.985586
"1293484"	343.035464	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Cl+CF3COOH"	148.962264
"1372375"	159.060524	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H-2H2O"	-35.012676
"1394248"	177.0705	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H-H2O"	-17.0027
"291746"	389.153676	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+H"	1.007276
"683075"	583.226876	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+H"	1.007276
"1364532"	195.080476	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H"	1.007276
"136690"	195.080476	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+2H"	2.014552
"578436"	292.117076	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+2H"	2.014552
"1046148"	98.043876	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2H"	2.014552
"212953"	130.389409333333	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+3H"	3.021828
"654702"	195.080476	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+3H"	3.021828
"1170642"	65.6983426666667	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+3H"	3.021828
"436826"	406.180223	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+NH4"	18.033823
"791626"	600.253423	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+NH4"	18.033823
"1686867"	212.107023	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+NH4"	18.033823
"343532"	203.5937495	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+H+NH4"	19.041099
"735592"	300.6303495	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+H+NH4"	19.041099
"1487955"	106.5571495	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H+NH4"	19.041099
"402262"	411.135618	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+Na"	22.989218
"764350"	605.208818	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+Na"	22.989218
"1611352"	217.062418	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Na"	22.989218
"318112"	206.071447	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+H+Na"	23.996494
"710532"	303.108047	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+H+Na"	23.996494
"1467631"	109.034847	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H+Na"	23.996494
"1057597"	73.0256566666667	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2H+Na"	25.00377
"1271305"	227.106686	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+CH3OH+H"	33.033486
"383320"	427.109558	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+K"	38.963158
"747595"	621.182758	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+K"	38.963158
"1552929"	233.036358	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+K"	38.963158
"309010"	214.058417	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+H+K"	39.970434
"705442"	311.095017	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+H+K"	39.970434
"1459628"	117.021817	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H+K"	39.970434
"249323"	430.180226	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+ACN+H"	42.033826
"1222032"	236.107026	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+ACN+H"	42.033826
"1205915"	118.557151	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+ACN+2H"	43.041102
"202062"	433.11756	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+2Na-H"	44.97116
"635063"	627.19076	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+2Na-H"	44.97116
"1135290"	239.04436	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2Na-H"	44.97116
"175302"	217.062418	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+2Na"	45.978436
"621425"	314.099018	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+2Na"	45.978436
"1123836"	120.025818	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2Na"	45.978436
"1402986"	80.3529706666667	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H+2Na"	46.985712
"1435105"	241.085946	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H+HCOOH"	47.012746
"229173"	222.09544	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+3H2O+2H"	56.04448
"1516143"	255.13799	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+IsoProp+H"	61.06479
"414733"	225.049388	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+Na+K"	61.952376
"774632"	322.085988	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+Na+K"	61.952376
"1668415"	128.012788	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Na+K"	61.952376
"260776"	452.162168	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+ACN+Na"	64.015768
"1238957"	258.088968	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+ACN+Na"	64.015768
"1725656"	258.112493	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+NH4+HCOOH"	64.039293
"1188823"	87.6802846666667	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+3Na"	68.967654
"1661997"	263.067888	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Na+HCOOH"	68.994688
"166671"	465.06544	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+2K-H"	76.91904
"606231"	659.13864	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+2K-H"	76.91904
"1091832"	270.99224	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2K-H"	76.91904
"153026"	233.036358	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"2M+2K"	77.926316
"597067"	330.072958	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"3M+2K"	77.926316
"1083502"	135.999758	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2K"	77.926316
"1115300"	273.006792	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2K+H"	78.933592
"1348888"	273.094407	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+DMSO+H"	79.021207
"1020211"	277.133576	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2ACN+H"	83.060376
"1539187"	278.127208	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+IsoProp+Na+H"	84.054008
"1001986"	139.070426	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+2ACN+2H"	84.067652
"1598678"	279.041828	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+K+HCOOH"	84.968628
"1423243"	309.073338	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+H+CF3COOH"	115.000138
"1154626"	159.583701	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+3ACN+2H"	125.094202
"1705271"	326.099885	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+NH4+CF3COOH"	132.026685
"1643108"	331.05528	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+Na+CF3COOH"	136.98208
"1575478"	347.02922	"C11431"	"Phenanthrene-12-oxide"	"C14H10O"	"194.0732"	"M+K+CF3COOH"	152.95602
"816174"	194.0732	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M"	0
"989769"	175.05481	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-H2O-H"	-19.01839
"78304"	128.374857333333	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M-3H"	-3.021828
"511557"	193.065924	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M-3H"	-3.021828
"892642"	63.6837906666667	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-3H"	-3.021828
"11217"	193.065924	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M-2H"	-2.014552
"449684"	290.102524	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M-2H"	-2.014552
"830767"	96.029324	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-2H"	-2.014552
"90757"	387.139124	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M-H"	-1.007276
"525945"	581.212324	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M-H"	-1.007276
"902652"	193.065924	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-H"	-1.007276
"55935"	404.165671	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M-2H+NH4"	16.019271
"493671"	598.238871	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M-2H+NH4"	16.019271
"873297"	210.092471	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-2H+NH4"	16.019271
"36094"	409.121066	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M-2H+Na"	20.974666
"478570"	603.194266	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M-2H+Na"	20.974666
"849810"	215.047866	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-2H+Na"	20.974666
"1619707"	215.047866	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Na-2H"	20.974666
"97696"	211.054263	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M-H+Cl"	33.962126
"548196"	308.090863	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M-H+Cl"	33.962126
"936606"	114.017663	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-H+Cl"	33.962126
"276257"	423.115802	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+Cl"	34.969402
"668681"	617.189002	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+Cl"	34.969402
"1281084"	229.042602	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Cl"	34.969402
"21817"	425.095006	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M-2H+K"	36.948606
"469764"	619.168206	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M-2H+K"	36.948606
"845380"	231.021806	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-2H+K"	36.948606
"1567775"	231.021806	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+K-2H"	36.948606
"956388"	239.071394	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-H+HCOOH"	44.998194
"370592"	433.144601	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+HCOOH-H"	44.998201
"354475"	447.160251	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+Hac-H"	59.013851
"1497838"	253.087051	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Hac-H"	59.013851
"961005"	261.053351	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-H+NaCOOH"	66.980151
"111248"	229.042602	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+2Cl"	69.938804
"554941"	326.079202	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+2Cl"	69.938804
"1034685"	132.006002	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2Cl"	69.938804
"1253176"	272.992085	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Br"	78.918885
"1316354"	275.048072	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Cl+HCOOH"	80.974872
"1329836"	297.030029	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Cl+NaCOOH"	102.956829
"915428"	307.058786	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M-H+CF3COOH"	112.985586
"1296510"	343.035464	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Cl+CF3COOH"	148.962264
"1375764"	159.060524	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H-2H2O"	-35.012676
"1395448"	177.0705	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H-H2O"	-17.0027
"296958"	389.153676	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+H"	1.007276
"686464"	583.226876	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+H"	1.007276
"1360999"	195.080476	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H"	1.007276
"136801"	195.080476	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+2H"	2.014552
"578183"	292.117076	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+2H"	2.014552
"1046260"	98.043876	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2H"	2.014552
"214159"	130.389409333333	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+3H"	3.021828
"652627"	195.080476	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+3H"	3.021828
"1172939"	65.6983426666667	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+3H"	3.021828
"438395"	406.180223	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+NH4"	18.033823
"795018"	600.253423	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+NH4"	18.033823
"1691351"	212.107023	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+NH4"	18.033823
"339632"	203.5937495	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+H+NH4"	19.041099
"736065"	300.6303495	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+H+NH4"	19.041099
"1489158"	106.5571495	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H+NH4"	19.041099
"404922"	411.135618	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+Na"	22.989218
"764460"	605.208818	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+Na"	22.989218
"1613651"	217.062418	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Na"	22.989218
"319313"	206.071447	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+H+Na"	23.996494
"712829"	303.108047	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+H+Na"	23.996494
"1466648"	109.034847	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H+Na"	23.996494
"1056612"	73.0256566666667	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2H+Na"	25.00377
"1270321"	227.106686	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+CH3OH+H"	33.033486
"387803"	427.109558	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+K"	38.963158
"750985"	621.182758	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+K"	38.963158
"1547571"	233.036358	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+K"	38.963158
"309119"	214.058417	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+H+K"	39.970434
"701540"	311.095017	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+H+K"	39.970434
"1457548"	117.021817	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H+K"	39.970434
"249432"	430.180226	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+ACN+H"	42.033826
"1223235"	236.107026	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+ACN+H"	42.033826
"1207116"	118.557151	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+ACN+2H"	43.041102
"201078"	433.11756	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+2Na-H"	44.97116
"636269"	627.19076	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+2Na-H"	44.97116
"1139775"	239.04436	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2Na-H"	44.97116
"176505"	217.062418	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+2Na"	45.978436
"624815"	314.099018	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+2Na"	45.978436
"1126133"	120.025818	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2Na"	45.978436
"1411843"	80.3529706666667	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H+2Na"	46.985712
"1437402"	241.085946	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H+HCOOH"	47.012746
"228190"	222.09544	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+3H2O+2H"	56.04448
"1516252"	255.13799	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+IsoProp+H"	61.06479
"415937"	225.049388	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+Na+K"	61.952376
"776932"	322.085988	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+Na+K"	61.952376
"1668888"	128.012788	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Na+K"	61.952376
"258699"	452.162168	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+ACN+Na"	64.015768
"1237610"	258.088968	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+ACN+Na"	64.015768
"1723581"	258.112493	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+NH4+HCOOH"	64.039293
"1191851"	87.6802846666667	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+3Na"	68.967654
"1663203"	263.067888	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Na+HCOOH"	68.994688
"171156"	465.06544	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+2K-H"	76.91904
"610715"	659.13864	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+2K-H"	76.91904
"1097413"	270.99224	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2K-H"	76.91904
"153136"	233.036358	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"2M+2K"	77.926316
"596675"	330.072958	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"3M+2K"	77.926316
"1083050"	135.999758	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2K"	77.926316
"1113707"	273.006792	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2K+H"	78.933592
"1345715"	273.094407	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+DMSO+H"	79.021207
"1016435"	277.133576	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2ACN+H"	83.060376
"1534558"	278.127208	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+IsoProp+Na+H"	84.054008
"1002100"	139.070426	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+2ACN+2H"	84.067652
"1596602"	279.041828	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+K+HCOOH"	84.968628
"1423353"	309.073338	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+H+CF3COOH"	115.000138
"1159110"	159.583701	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+3ACN+2H"	125.094202
"1707568"	326.099885	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+NH4+CF3COOH"	132.026685
"1643218"	331.05528	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+Na+CF3COOH"	136.98208
"1575588"	347.02922	"C11432"	"1-Phenanthrol;1-Hydroxyphenanthrene"	"C14H10O"	"194.0732"	"M+K+CF3COOH"	152.95602
"813610"	208.0888	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M"	0
"986779"	189.07041	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-H2O-H"	-19.01839
"76480"	137.718590666667	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M-3H"	-3.021828
"510573"	207.081524	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M-3H"	-3.021828
"890565"	68.3556573333333	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-3H"	-3.021828
"11326"	207.081524	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M-2H"	-2.014552
"451980"	311.125924	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M-2H"	-2.014552
"829784"	103.037124	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-2H"	-2.014552
"90867"	415.170324	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M-H"	-1.007276
"527148"	623.259124	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M-H"	-1.007276
"904949"	207.081524	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-H"	-1.007276
"54952"	432.196871	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M-2H+NH4"	16.019271
"494511"	640.285671	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M-2H+NH4"	16.019271
"872314"	224.108071	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-2H+NH4"	16.019271
"41308"	437.152266	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M-2H+Na"	20.974666
"475765"	645.241066	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M-2H+Na"	20.974666
"851015"	229.063466	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-2H+Na"	20.974666
"1619333"	229.063466	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Na-2H"	20.974666
"97442"	225.069863	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M-H+Cl"	33.962126
"545389"	329.114263	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M-H+Cl"	33.962126
"936716"	121.025463	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-H+Cl"	33.962126
"275274"	451.147002	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+Cl"	34.969402
"667697"	659.235802	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+Cl"	34.969402
"1281194"	243.058202	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Cl"	34.969402
"20470"	453.126206	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M-2H+K"	36.948606
"468781"	661.215006	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M-2H+K"	36.948606
"844397"	245.037406	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-2H+K"	36.948606
"1567885"	245.037406	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+K-2H"	36.948606
"956134"	253.086994	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-H+HCOOH"	44.998194
"372889"	461.175801	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+HCOOH-H"	44.998201
"353492"	475.191451	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+Hac-H"	59.013851
"1495762"	267.102651	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Hac-H"	59.013851
"960022"	275.068951	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-H+NaCOOH"	66.980151
"110015"	243.058202	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+2Cl"	69.938804
"555051"	347.102602	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+2Cl"	69.938804
"1032609"	139.013802	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2Cl"	69.938804
"1254378"	287.007685	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Br"	78.918885
"1315735"	289.063672	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Cl+HCOOH"	80.974872
"1329946"	311.045629	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Cl+NaCOOH"	102.956829
"912743"	321.074386	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M-H+CF3COOH"	112.985586
"1293340"	357.051064	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Cl+CF3COOH"	148.962264
"1375874"	173.076124	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H-2H2O"	-35.012676
"1394465"	191.0861	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H-H2O"	-17.0027
"295246"	417.184876	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+H"	1.007276
"685480"	625.273676	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+H"	1.007276
"1361838"	209.096076	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H"	1.007276
"136547"	209.096076	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+2H"	2.014552
"575377"	313.140476	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+2H"	2.014552
"1046370"	105.051676	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2H"	2.014552
"212083"	139.733142666667	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+3H"	3.021828
"649457"	209.096076	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+3H"	3.021828
"1169769"	70.3702093333333	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+3H"	3.021828
"436319"	434.211423	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+NH4"	18.033823
"794035"	642.300223	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+NH4"	18.033823
"1688179"	226.122623	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+NH4"	18.033823
"335367"	217.6093495	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+H+NH4"	19.041099
"735446"	321.6537495	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+H+NH4"	19.041099
"1491090"	113.5649495	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H+NH4"	19.041099
"406851"	439.166818	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+Na"	22.989218
"765664"	647.255618	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+Na"	22.989218
"1611575"	231.078018	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Na"	22.989218
"321609"	220.087047	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+H+Na"	23.996494
"711846"	324.131447	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+H+Na"	23.996494
"1465666"	116.042647	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H+Na"	23.996494
"1056724"	77.6975233333333	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2H+Na"	25.00377
"1271525"	241.122286	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+CH3OH+H"	33.033486
"386818"	455.140758	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+K"	38.963158
"748909"	663.229558	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+K"	38.963158
"1552055"	247.051958	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+K"	38.963158
"310323"	228.074017	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+H+K"	39.970434
"704569"	332.118417	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+H+K"	39.970434
"1457658"	124.029617	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H+K"	39.970434
"248446"	458.211426	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+ACN+H"	42.033826
"1224438"	250.122626	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+ACN+H"	42.033826
"1206133"	125.564951	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+ACN+2H"	43.041102
"200095"	461.14876	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+2Na-H"	44.97116
"636379"	669.23756	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+2Na-H"	44.97116
"1138792"	253.05996	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2Na-H"	44.97116
"175886"	231.078018	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+2Na"	45.978436
"617271"	335.122418	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+2Na"	45.978436
"1121869"	127.033618	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2Na"	45.978436
"1405392"	85.0248373333333	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H+2Na"	46.985712
"1434228"	255.101546	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H+HCOOH"	47.012746
"223924"	236.11104	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+3H2O+2H"	56.04448
"1515267"	269.15359	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+IsoProp+H"	61.06479
"414952"	239.064988	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+Na+K"	61.952376
"774854"	343.109388	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+Na+K"	61.952376
"1670093"	135.020588	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Na+K"	61.952376
"262091"	480.193368	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+ACN+Na"	64.015768
"1234801"	272.104568	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+ACN+Na"	64.015768
"1723691"	272.128093	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+NH4+HCOOH"	64.039293
"1192325"	92.3521513333333	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+3Na"	68.967654
"1664405"	277.083488	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Na+HCOOH"	68.994688
"171266"	493.09664	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+2K-H"	76.91904
"607545"	701.18544	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+2K-H"	76.91904
"1097523"	285.00784	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2K-H"	76.91904
"154339"	247.051958	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"2M+2K"	77.926316
"596868"	351.096358	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"3M+2K"	77.926316
"1083523"	143.007558	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2K"	77.926316
"1112723"	287.022392	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2K+H"	78.933592
"1348984"	287.110007	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+DMSO+H"	79.021207
"1018730"	291.149176	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2ACN+H"	83.060376
"1535762"	292.142808	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+IsoProp+Na+H"	84.054008
"1004395"	146.078226	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+2ACN+2H"	84.067652
"1594524"	293.057428	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+K+HCOOH"	84.968628
"1424557"	323.088938	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+H+CF3COOH"	115.000138
"1160313"	166.591501	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+3ACN+2H"	125.094202
"1707678"	340.115485	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+NH4+CF3COOH"	132.026685
"1643328"	345.07088	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+Na+CF3COOH"	136.98208
"1575698"	361.04482	"C11433"	"1-Methoxyphenanthrene"	"C15H12O"	"208.0888"	"M+K+CF3COOH"	152.95602
"814813"	216.0399	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M"	0
"988346"	197.02151	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-H2O-H"	-19.01839
"77767"	143.019324	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M-3H"	-3.021828
"508497"	215.032624	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M-3H"	-3.021828
"891768"	71.006024	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-3H"	-3.021828
"10343"	215.032624	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M-2H"	-2.014552
"450997"	323.052574	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M-2H"	-2.014552
"829894"	107.012674	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-2H"	-2.014552
"91828"	431.072524	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M-H"	-1.007276
"523978"	647.112424	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M-H"	-1.007276
"905059"	215.032624	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-H"	-1.007276
"58339"	448.099071	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M-2H+NH4"	16.019271
"492798"	664.138971	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M-2H+NH4"	16.019271
"871331"	232.059171	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-2H+NH4"	16.019271
"40325"	453.054466	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M-2H+Na"	20.974666
"476239"	669.094366	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M-2H+Na"	20.974666
"850761"	237.014566	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-2H+Na"	20.974666
"1619441"	237.014566	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Na-2H"	20.974666
"97188"	233.020963	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M-H+Cl"	33.962126
"544406"	341.040913	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M-H+Cl"	33.962126
"934639"	125.001013	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-H+Cl"	33.962126
"273198"	467.049202	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+Cl"	34.969402
"662341"	683.089102	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+Cl"	34.969402
"1280211"	251.009302	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Cl"	34.969402
"19487"	469.028406	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M-2H+K"	36.948606
"463424"	685.068306	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M-2H+K"	36.948606
"843413"	252.988506	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-2H+K"	36.948606
"1567631"	252.988506	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+K-2H"	36.948606
"955514"	261.038094	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-H+HCOOH"	44.998194
"372635"	477.078001	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+HCOOH-H"	44.998201
"353602"	491.093651	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+Hac-H"	59.013851
"1495872"	275.053751	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Hac-H"	59.013851
"959645"	283.020051	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-H+NaCOOH"	66.980151
"110497"	251.009302	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+2Cl"	69.938804
"555161"	359.029252	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+2Cl"	69.938804
"1032719"	142.989352	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2Cl"	69.938804
"1255581"	294.958785	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Br"	78.918885
"1314751"	297.014772	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Cl+HCOOH"	80.974872
"1326776"	318.996729	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Cl+NaCOOH"	102.956829
"912732"	329.025486	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M-H+CF3COOH"	112.985586
"1293814"	365.002164	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Cl+CF3COOH"	148.962264
"1372704"	181.027224	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H-2H2O"	-35.012676
"1394575"	199.0372	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H-H2O"	-17.0027
"295356"	433.087076	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+H"	1.007276
"684497"	649.126976	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+H"	1.007276
"1363405"	217.047176	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H"	1.007276
"138479"	217.047176	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+2H"	2.014552
"576580"	325.067126	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+2H"	2.014552
"1043196"	109.027226	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2H"	2.014552
"210004"	145.033876	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+3H"	3.021828
"652846"	217.047176	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+3H"	3.021828
"1174250"	73.020576	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+3H"	3.021828
"434242"	450.113623	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+NH4"	18.033823
"794143"	666.153523	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+NH4"	18.033823
"1689381"	234.073723	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+NH4"	18.033823
"338757"	225.5604495	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+H+NH4"	19.041099
"736648"	333.5803995	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+H+NH4"	19.041099
"1491321"	117.5404995	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H+NH4"	19.041099
"406960"	455.069018	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+Na"	22.989218
"766866"	671.108918	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+Na"	22.989218
"1611684"	239.029118	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Na"	22.989218
"320626"	228.038147	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+H+Na"	23.996494
"710863"	336.058097	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+H+Na"	23.996494
"1471244"	120.018197	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H+Na"	23.996494
"1063395"	80.34789	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2H+Na"	25.00377
"1270544"	249.073386	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+CH3OH+H"	33.033486
"389116"	471.042958	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+K"	38.963158
"749019"	687.082858	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+K"	38.963158
"1551072"	255.003058	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+K"	38.963158
"311162"	236.025117	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+H+K"	39.970434
"703950"	344.045067	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+H+K"	39.970434
"1459594"	128.005167	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H+K"	39.970434
"248921"	474.113626	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+ACN+H"	42.033826
"1222727"	258.073726	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+ACN+H"	42.033826
"1205150"	129.540501	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+ACN+2H"	43.041102
"200205"	477.05096	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+2Na-H"	44.97116
"636489"	693.09086	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+2Na-H"	44.97116
"1138902"	261.01106	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2Na-H"	44.97116
"175631"	239.029118	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+2Na"	45.978436
"614828"	347.049068	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+2Na"	45.978436
"1121978"	131.009168	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2Na"	45.978436
"1402221"	87.675204	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H+2Na"	46.985712
"1433244"	263.052646	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H+HCOOH"	47.012746
"225126"	244.06214	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+3H2O+2H"	56.04448
"1517560"	277.10469	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+IsoProp+H"	61.06479
"416152"	247.016088	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+Na+K"	61.952376
"776057"	355.036038	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+Na+K"	61.952376
"1670202"	138.996138	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Na+K"	61.952376
"261107"	496.095568	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+ACN+Na"	64.015768
"1234910"	280.055668	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+ACN+Na"	64.015768
"1721610"	280.079193	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+NH4+HCOOH"	64.039293
"1189151"	95.002518	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+3Na"	68.967654
"1661231"	285.034588	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Na+HCOOH"	68.994688
"165906"	508.99884	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+2K-H"	76.91904
"606559"	725.03874	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+2K-H"	76.91904
"1097632"	292.95894	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2K-H"	76.91904
"151168"	255.003058	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"2M+2K"	77.926316
"596078"	363.023008	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"3M+2K"	77.926316
"1080711"	146.983108	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2K"	77.926316
"1111740"	294.973492	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2K+H"	78.933592
"1347029"	295.061107	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+DMSO+H"	79.021207
"1018840"	299.100276	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2ACN+H"	83.060376
"1534780"	300.093908	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+IsoProp+Na+H"	84.054008
"1004505"	150.053776	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+2ACN+2H"	84.067652
"1597914"	301.008528	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+K+HCOOH"	84.968628
"1423573"	331.040038	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+H+CF3COOH"	115.000138
"1161516"	170.567051	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+3ACN+2H"	125.094202
"1708881"	348.066585	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+NH4+CF3COOH"	132.026685
"1643438"	353.02198	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+Na+CF3COOH"	136.98208
"1575808"	368.99592	"C11434"	"2-C-Methyl-D-erythritol 4-phosphate"	"C5H13O7P"	"216.0399"	"M+K+CF3COOH"	152.95602
"816625"	521.0812	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M"	0
"987001"	502.06281	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-H2O-H"	-19.01839
"76946"	346.380190666667	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M-3H"	-3.021828
"515167"	520.073924	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M-3H"	-3.021828
"889693"	172.686457333333	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-3H"	-3.021828
"12641"	520.073924	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M-2H"	-2.014552
"452203"	780.614524	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M-2H"	-2.014552
"828912"	259.533324	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-2H"	-2.014552
"90726"	1041.155124	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M-H"	-1.007276
"529557"	1562.236324	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M-H"	-1.007276
"910522"	520.073924	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-H"	-1.007276
"56264"	1058.181671	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M-2H+NH4"	16.019271
"498013"	1579.262871	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M-2H+NH4"	16.019271
"870348"	537.100471	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-2H+NH4"	16.019271
"39342"	1063.137066	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M-2H+Na"	20.974666
"474891"	1584.218266	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M-2H+Na"	20.974666
"850142"	542.055866	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-2H+Na"	20.974666
"1619309"	542.055866	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Na-2H"	20.974666
"97298"	538.062263	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M-H+Cl"	33.962126
"545609"	798.602863	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M-H+Cl"	33.962126
"934749"	277.521663	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-H+Cl"	33.962126
"274401"	1077.131802	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+Cl"	34.969402
"670107"	1598.213002	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+Cl"	34.969402
"1282511"	556.050602	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Cl"	34.969402
"25066"	1079.111006	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M-2H+K"	36.948606
"466816"	1600.192206	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M-2H+K"	36.948606
"843526"	558.029806	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-2H+K"	36.948606
"1562640"	558.029806	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+K-2H"	36.948606
"953802"	566.079394	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-H+HCOOH"	44.998194
"372745"	1087.160601	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+HCOOH-H"	44.998201
"352619"	1101.176251	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+Hac-H"	59.013851
"1494888"	580.095051	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Hac-H"	59.013851
"961336"	588.061351	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-H+NaCOOH"	66.980151
"114617"	556.050602	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+2Cl"	69.938804
"553085"	816.591202	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+2Cl"	69.938804
"1032829"	295.510002	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2Cl"	69.938804
"1252408"	600.000085	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Br"	78.918885
"1313768"	602.056072	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Cl+HCOOH"	80.974872
"1327981"	624.038029	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Cl+NaCOOH"	102.956829
"912477"	634.066786	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M-H+CF3COOH"	112.985586
"1293924"	670.043464	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Cl+CF3COOH"	148.962264
"1372814"	486.068524	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H-2H2O"	-35.012676
"1392499"	504.0785	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H-H2O"	-17.0027
"292915"	1043.169676	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+H"	1.007276
"681327"	1564.250876	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+H"	1.007276
"1360960"	522.088476	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H"	1.007276
"138591"	522.088476	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+2H"	2.014552
"571222"	782.629076	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+2H"	2.014552
"1042210"	261.547876	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2H"	2.014552
"210115"	348.394742666667	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+3H"	3.021828
"652958"	522.088476	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+3H"	3.021828
"1175454"	174.701009333333	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+3H"	3.021828
"434352"	1060.196223	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+NH4"	18.033823
"795346"	1581.277423	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+NH4"	18.033823
"1689491"	539.115023	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+NH4"	18.033823
"337774"	530.6017495	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+H+NH4"	19.041099
"735301"	791.1423495	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+H+NH4"	19.041099
"1490580"	270.0611495	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H+NH4"	19.041099
"406706"	1065.151618	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+Na"	22.989218
"768681"	1586.232818	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+Na"	22.989218
"1615074"	544.070418	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Na"	22.989218
"321829"	533.079447	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+H+Na"	23.996494
"714253"	793.620047	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+H+Na"	23.996494
"1472447"	272.538847	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H+Na"	23.996494
"1063505"	182.028323333333	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2H+Na"	25.00377
"1271505"	554.114686	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+CH3OH+H"	33.033486
"390319"	1081.125558	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+K"	38.963158
"751316"	1602.206758	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+K"	38.963158
"1552275"	560.044358	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+K"	38.963158
"311272"	541.066417	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+H+K"	39.970434
"702967"	801.607017	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+H+K"	39.970434
"1458974"	280.525817	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H+K"	39.970434
"249031"	1084.196226	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+ACN+H"	42.033826
"1223202"	563.115026	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+ACN+H"	42.033826
"1205264"	282.061151	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+ACN+2H"	43.041102
"201776"	1087.13356	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+2Na-H"	44.97116
"639879"	1608.21476	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+2Na-H"	44.97116
"1139012"	566.05236	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2Na-H"	44.97116
"175741"	544.070418	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+2Na"	45.978436
"615301"	804.611018	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+2Na"	45.978436
"1122088"	283.529818	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2Na"	45.978436
"1401238"	189.355637333333	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H+2Na"	46.985712
"1437729"	568.093946	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H+HCOOH"	47.012746
"224144"	549.10344	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+3H2O+2H"	56.04448
"1514392"	582.14599	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+IsoProp+H"	61.06479
"414077"	552.057388	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+Na+K"	61.952376
"778358"	812.597988	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+Na+K"	61.952376
"1671408"	291.516788	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Na+K"	61.952376
"256842"	1106.178168	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+ACN+Na"	64.015768
"1230644"	585.096968	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+ACN+Na"	64.015768
"1721716"	585.120493	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+NH4+HCOOH"	64.039293
"1187073"	196.682951333333	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+3Na"	68.967654
"1660247"	590.075888	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Na+HCOOH"	68.994688
"166016"	1119.08144	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+2K-H"	76.91904
"607761"	1640.16264	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+2K-H"	76.91904
"1096649"	598.00024	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2K-H"	76.91904
"151278"	560.044358	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"2M+2K"	77.926316
"595825"	820.584958	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"3M+2K"	77.926316
"1083377"	299.503758	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2K"	77.926316
"1114643"	600.014792	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2K+H"	78.933592
"1343861"	600.102407	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+DMSO+H"	79.021207
"1017859"	604.141576	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2ACN+H"	83.060376
"1537077"	605.135208	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+IsoProp+Na+H"	84.054008
"1004982"	302.574426	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+2ACN+2H"	84.067652
"1596931"	606.049828	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+K+HCOOH"	84.968628
"1421496"	636.081338	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+H+CF3COOH"	115.000138
"1158346"	323.087701	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+3ACN+2H"	125.094202
"1700243"	653.107885	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+NH4+CF3COOH"	132.026685
"1643548"	658.06328	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+Na+CF3COOH"	136.98208
"1574825"	674.03722	"C11435"	"4-(Cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H25N3O14P2"	"521.0812"	"M+K+CF3COOH"	152.95602
"815033"	601.0475	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M"	0
"989627"	582.02911	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-H2O-H"	-19.01839
"78357"	399.691057333333	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M-3H"	-3.021828
"515276"	600.040224	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M-3H"	-3.021828
"888709"	199.341890666667	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-3H"	-3.021828
"13480"	600.040224	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M-2H"	-2.014552
"447939"	900.563974	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M-2H"	-2.014552
"829022"	299.516474	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-2H"	-2.014552
"90106"	1201.087724	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M-H"	-1.007276
"530760"	1802.135224	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M-H"	-1.007276
"906374"	600.040224	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-H"	-1.007276
"57466"	1218.114271	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M-2H+NH4"	16.019271
"494112"	1819.161771	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M-2H+NH4"	16.019271
"871551"	617.066771	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-2H+NH4"	16.019271
"36536"	1223.069666	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M-2H+Na"	20.974666
"476094"	1824.117166	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M-2H+Na"	20.974666
"849888"	622.022166	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-2H+Na"	20.974666
"1619784"	622.022166	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Na-2H"	20.974666
"97407"	618.028563	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M-H+Cl"	33.962126
"544625"	918.552313	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M-H+Cl"	33.962126
"934859"	317.504813	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-H+Cl"	33.962126
"274511"	1237.064402	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+Cl"	34.969402
"669123"	1838.111902	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+Cl"	34.969402
"1283714"	636.016902	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Cl"	34.969402
"22989"	1239.043606	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M-2H+K"	36.948606
"464738"	1840.091106	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M-2H+K"	36.948606
"843634"	637.996106	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-2H+K"	36.948606
"1562748"	637.996106	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+K-2H"	36.948606
"947350"	646.045694	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-H+HCOOH"	44.998194
"372124"	1247.093201	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+HCOOH-H"	44.998201
"353821"	1261.108851	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+Hac-H"	59.013851
"1494998"	660.061351	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Hac-H"	59.013851
"961446"	668.027651	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-H+NaCOOH"	66.980151
"118008"	636.016902	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+2Cl"	69.938804
"556476"	936.540652	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+2Cl"	69.938804
"1034032"	335.493152	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2Cl"	69.938804
"1251422"	679.966385	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Br"	78.918885
"1316063"	682.022372	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Cl+HCOOH"	80.974872
"1328091"	704.004329	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Cl+NaCOOH"	102.956829
"912708"	714.033086	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M-H+CF3COOH"	112.985586
"1293670"	750.009764	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Cl+CF3COOH"	148.962264
"1372924"	566.034824	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H-2H2O"	-35.012676
"1393702"	584.0448	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H-H2O"	-17.0027
"293389"	1203.102276	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+H"	1.007276
"682530"	1804.149776	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+H"	1.007276
"1361070"	602.054776	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H"	1.007276
"131774"	602.054776	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+2H"	2.014552
"571332"	902.578526	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+2H"	2.014552
"1041226"	301.531026	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2H"	2.014552
"206206"	401.705609333333	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+3H"	3.021828
"646494"	602.054776	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+3H"	3.021828
"1175563"	201.356442666667	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+3H"	3.021828
"434462"	1220.128823	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+NH4"	18.033823
"796549"	1821.176323	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+NH4"	18.033823
"1690694"	619.081323	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+NH4"	18.033823
"341163"	610.5680495	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+H+NH4"	19.041099
"735775"	911.0917995	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+H+NH4"	19.041099
"1490690"	310.0442995	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H+NH4"	19.041099
"407546"	1225.084218	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+Na"	22.989218
"767818"	1826.131718	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+Na"	22.989218
"1616277"	624.036718	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Na"	22.989218
"325949"	613.045747	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+H+Na"	23.996494
"716182"	913.569497	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+H+Na"	23.996494
"1473653"	312.521997	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H+Na"	23.996494
"1064710"	208.683756666667	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2H+Na"	25.00377
"1271736"	634.080986	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+CH3OH+H"	33.033486
"390429"	1241.058158	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+K"	38.963158
"751425"	1842.105658	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+K"	38.963158
"1551292"	640.010658	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+K"	38.963158
"310288"	621.032717	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+H+K"	39.970434
"701616"	921.556467	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+H+K"	39.970434
"1459447"	320.508967	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H+K"	39.970434
"248048"	1244.128826	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+ACN+H"	42.033826
"1220396"	643.081326	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+ACN+H"	42.033826
"1206100"	322.044301	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+ACN+2H"	43.041102
"201885"	1247.06616	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+2Na-H"	44.97116
"636709"	1848.11366	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+2Na-H"	44.97116
"1138030"	646.01866	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2Na-H"	44.97116
"173702"	624.036718	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+2Na"	45.978436
"615411"	924.560468	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+2Na"	45.978436
"1122198"	323.512968	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2Na"	45.978436
"1401713"	216.011070666667	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H+2Na"	46.985712
"1439663"	648.060246	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H+HCOOH"	47.012746
"225347"	629.06974	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+3H2O+2H"	56.04448
"1514502"	662.11229	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+IsoProp+H"	61.06479
"414187"	632.023688	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+Na+K"	61.952376
"774091"	932.547438	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+Na+K"	61.952376
"1669692"	331.499938	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Na+K"	61.952376
"256952"	1266.110768	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+ACN+Na"	64.015768
"1230754"	665.063268	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+ACN+Na"	64.015768
"1719640"	665.086793	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+NH4+HCOOH"	64.039293
"1186090"	223.338384666667	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+3Na"	68.967654
"1656348"	670.042188	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Na+HCOOH"	68.994688
"163939"	1279.01404	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+2K-H"	76.91904
"603134"	1880.06154	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+2K-H"	76.91904
"1093479"	677.96654	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2K-H"	76.91904
"149202"	640.010658	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"2M+2K"	77.926316
"595326"	940.534408	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"3M+2K"	77.926316
"1083245"	339.486908	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2K"	77.926316
"1112932"	679.981092	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2K+H"	78.933592
"1345064"	680.068707	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+DMSO+H"	79.021207
"1019063"	684.107876	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2ACN+H"	83.060376
"1538159"	685.101508	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+IsoProp+Na+H"	84.054008
"1005214"	342.557576	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+2ACN+2H"	84.067652
"1598134"	686.016128	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+K+HCOOH"	84.968628
"1421605"	716.047638	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+H+CF3COOH"	115.000138
"1155176"	363.070851	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+3ACN+2H"	125.094202
"1702539"	733.074185	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+NH4+CF3COOH"	132.026685
"1643658"	738.02958	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+Na+CF3COOH"	136.98208
"1574935"	754.00352	"C11436"	"2-Phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol"	"C14H26N3O17P3"	"601.0475"	"M+K+CF3COOH"	152.95602
"814050"	214.0242	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M"	0
"989611"	195.00581	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H2O-H"	-19.01839
"78499"	141.675524	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-3H"	-3.021828
"516116"	213.016924	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-3H"	-3.021828
"889912"	70.334124	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-3H"	-3.021828
"13954"	213.016924	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H"	-2.014552
"449142"	320.029024	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H"	-2.014552
"832249"	106.004824	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H"	-2.014552
"91309"	427.041124	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-H"	-1.007276
"531963"	641.065324	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-H"	-1.007276
"906484"	213.016924	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H"	-1.007276
"57576"	444.067671	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+NH4"	16.019271
"494951"	658.091871	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+NH4"	16.019271
"872754"	230.043471	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+NH4"	16.019271
"37375"	449.023066	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+Na"	20.974666
"475840"	663.047266	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+Na"	20.974666
"849633"	234.998866	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+Na"	20.974666
"1619528"	234.998866	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na-2H"	20.974666
"98610"	231.005263	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-H+Cl"	33.962126
"541454"	338.017363	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-H+Cl"	33.962126
"928772"	123.993163	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+Cl"	33.962126
"270246"	463.017802	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Cl"	34.969402
"669233"	677.042002	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+Cl"	34.969402
"1280542"	248.993602	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl"	34.969402
"23099"	464.997006	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+K"	36.948606
"465941"	679.021206	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+K"	36.948606
"843744"	250.972806	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+K"	36.948606
"1563951"	250.972806	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K-2H"	36.948606
"946366"	259.022394	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+HCOOH"	44.998194
"368954"	473.046601	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+HCOOH-H"	44.998201
"349557"	487.062251	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Hac-H"	59.013851
"1495108"	273.038051	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Hac-H"	59.013851
"960462"	281.004351	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+NaCOOH"	66.980151
"115931"	248.993602	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Cl"	69.938804
"557680"	356.005702	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Cl"	69.938804
"1034142"	141.981502	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2Cl"	69.938804
"1251532"	292.943085	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Br"	78.918885
"1315809"	294.999072	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+HCOOH"	80.974872
"1329294"	316.981029	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+NaCOOH"	102.956829
"916341"	327.009786	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M-H+CF3COOH"	112.985586
"1294874"	362.986464	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+CF3COOH"	148.962264
"1374128"	179.011524	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H-2H2O"	-35.012676
"1391626"	197.0215	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H-H2O"	-17.0027
"291313"	429.055676	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H"	1.007276
"682640"	643.079876	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H"	1.007276
"1358992"	215.031476	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H"	1.007276
"131881"	215.031476	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2H"	2.014552
"569252"	322.043576	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2H"	2.014552
"1043522"	108.019376	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2H"	2.014552
"205587"	143.690076	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H"	3.021828
"644778"	215.031476	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+3H"	3.021828
"1172393"	72.348676	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+3H"	3.021828
"433479"	446.082223	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+NH4"	18.033823
"794473"	660.106423	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+NH4"	18.033823
"1689711"	232.058023	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4"	18.033823
"336901"	223.5447495	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+NH4"	19.041099
"735885"	330.5568495	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+NH4"	19.041099
"1492258"	116.5326495	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+NH4"	19.041099
"406926"	451.037618	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na"	22.989218
"769595"	665.061818	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na"	22.989218
"1617120"	237.013418	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na"	22.989218
"327517"	226.022447	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+Na"	23.996494
"719573"	333.034547	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+Na"	23.996494
"1472669"	119.010347	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+Na"	23.996494
"1063725"	79.67599	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2H+Na"	25.00377
"1270508"	247.057686	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+CH3OH+H"	33.033486
"389446"	467.011558	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+K"	38.963158
"748253"	681.035758	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+K"	38.963158
"1549213"	252.987358	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K"	38.963158
"309305"	234.009417	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+K"	39.970434
"697718"	341.021517	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+K"	39.970434
"1455911"	126.997317	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+K"	39.970434
"247429"	470.082226	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+H"	42.033826
"1220503"	256.058026	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+H"	42.033826
"1201105"	128.532651	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+2H"	43.041102
"196893"	473.01956	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na-H"	44.97116
"639006"	687.04376	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na-H"	44.97116
"1139233"	258.99536	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na-H"	44.97116
"178151"	237.013418	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na"	45.978436
"617709"	344.025518	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na"	45.978436
"1125588"	130.001318	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na"	45.978436
"1403646"	87.003304	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+2Na"	46.985712
"1439772"	261.036946	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+HCOOH"	47.012746
"226551"	242.04644	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H2O+2H"	56.04448
"1514613"	275.08899	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+H"	61.06479
"413204"	245.000388	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na+K"	61.952376
"772378"	352.012488	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na+K"	61.952376
"1669074"	137.988288	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+K"	61.952376
"257062"	492.064168	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+Na"	64.015768
"1231957"	278.039968	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+Na"	64.015768
"1718657"	278.063493	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+HCOOH"	64.039293
"1186201"	94.330618	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+3Na"	68.967654
"1655365"	283.018888	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+HCOOH"	68.994688
"164049"	504.96744	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K-H"	76.91904
"605792"	718.99164	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K-H"	76.91904
"1091400"	290.94324	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2K-H"	76.91904
"147126"	252.987358	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K"	77.926316
"595436"	359.999458	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K"	77.926316
"1083355"	145.975258	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2K"	77.926316
"1114622"	292.957792	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2K+H"	78.933592
"1347360"	293.045407	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+DMSO+H"	79.021207
"1020876"	297.084576	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+H"	83.060376
"1538391"	298.078208	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+Na+H"	84.054008
"1004713"	149.045926	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+2H"	84.067652
"1601524"	298.992828	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K+HCOOH"	84.968628
"1422808"	329.024338	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+H+CF3COOH"	115.000138
"1157473"	169.559201	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+3ACN+2H"	125.094202
"1702650"	346.050885	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+CF3COOH"	132.026685
"1643768"	351.00628	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+CF3COOH"	136.98208
"1575045"	366.98022	"C11437"	"1-Deoxy-D-xylulose 5-phosphate"	"C5H11O7P"	"214.0242"	"M+K+CF3COOH"	152.95602
"816471"	843.2406	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M"	0
"989599"	824.22221	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-H2O-H"	-19.01839
"78050"	561.153124	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M-3H"	-3.021828
"518054"	842.233324	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M-3H"	-3.021828
"890022"	280.072924	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-3H"	-3.021828
"10783"	842.233324	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M-2H"	-2.014552
"448158"	1263.853624	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M-2H"	-2.014552
"824865"	420.613024	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-2H"	-2.014552
"88137"	1685.473924	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M-H"	-1.007276
"529886"	2528.714524	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M-H"	-1.007276
"903312"	842.233324	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-H"	-1.007276
"49300"	1702.500471	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M-2H+NH4"	16.019271
"489226"	2545.741071	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M-2H+NH4"	16.019271
"872864"	859.259871	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-2H+NH4"	16.019271
"33837"	1707.455866	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M-2H+Na"	20.974666
"474125"	2550.696466	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M-2H+Na"	20.974666
"848688"	864.215266	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-2H+Na"	20.974666
"1618632"	864.215266	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Na-2H"	20.974666
"94706"	860.221663	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M-H+Cl"	33.962126
"538284"	1281.841963	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M-H+Cl"	33.962126
"928639"	438.601363	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-H+Cl"	33.962126
"270356"	1721.450602	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+Cl"	34.969402
"668250"	2564.691202	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+Cl"	34.969402
"1280652"	878.210002	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Cl"	34.969402
"24302"	1723.429806	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M-2H+K"	36.948606
"464958"	2566.670406	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M-2H+K"	36.948606
"839478"	880.189206	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-2H+K"	36.948606
"1556768"	880.189206	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+K-2H"	36.948606
"949754"	888.238794	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-H+HCOOH"	44.998194
"370157"	1731.479401	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+HCOOH-H"	44.998201
"349666"	1745.495051	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+Hac-H"	59.013851
"1494488"	902.254451	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Hac-H"	59.013851
"959112"	910.220751	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-H+NaCOOH"	66.980151
"114217"	878.210002	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+2Cl"	69.938804
"561068"	1299.830302	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+2Cl"	69.938804
"1034252"	456.589702	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2Cl"	69.938804
"1250549"	922.159485	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Br"	78.918885
"1316284"	924.215472	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Cl+HCOOH"	80.974872
"1329404"	946.197429	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Cl+NaCOOH"	102.956829
"916086"	956.226186	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M-H+CF3COOH"	112.985586
"1296077"	992.202864	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Cl+CF3COOH"	148.962264
"1374238"	808.227924	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H-2H2O"	-35.012676
"1389548"	826.2379	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H-H2O"	-17.0027
"289235"	1687.488476	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+H"	1.007276
"683843"	2530.729076	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+H"	1.007276
"1359102"	844.247876	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H"	1.007276
"133084"	844.247876	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+2H"	2.014552
"569362"	1265.868176	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+2H"	2.014552
"1041809"	422.627576	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2H"	2.014552
"205332"	563.167676	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+3H"	3.021828
"645009"	844.247876	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+3H"	3.021828
"1164482"	282.087476	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+3H"	3.021828
"427024"	1704.515023	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+NH4"	18.033823
"789114"	2547.755623	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+NH4"	18.033823
"1684715"	861.274423	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+NH4"	18.033823
"339193"	852.7611495	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+H+NH4"	19.041099
"730522"	1274.3814495	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+H+NH4"	19.041099
"1490909"	431.1408495	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H+NH4"	19.041099
"400838"	1709.470418	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+Na"	22.989218
"769455"	2552.711018	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+Na"	22.989218
"1618163"	866.229818	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Na"	22.989218
"328721"	855.238847	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+H+Na"	23.996494
"721511"	1276.859147	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+H+Na"	23.996494
"1474238"	433.618547	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H+Na"	23.996494
"1066023"	289.41479	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2H+Na"	25.00377
"1272688"	876.274086	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+CH3OH+H"	33.033486
"389921"	1725.444358	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+K"	38.963158
"750551"	2568.684958	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+K"	38.963158
"1550416"	882.203758	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+K"	38.963158
"308322"	863.225817	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+H+K"	39.970434
"702199"	1284.846117	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+H+K"	39.970434
"1457845"	441.605517	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H+K"	39.970434
"245717"	1728.515026	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+ACN+H"	42.033826
"1222801"	885.274426	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+ACN+H"	42.033826
"1208388"	443.140851	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+ACN+2H"	43.041102
"202232"	1731.45236	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+2Na-H"	44.97116
"638024"	2574.69296	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+2Na-H"	44.97116
"1138980"	888.21176	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2Na-H"	44.97116
"176074"	866.229818	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+2Na"	45.978436
"618912"	1287.850118	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+2Na"	45.978436
"1119138"	444.609518	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2Na"	45.978436
"1399988"	296.742104	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H+2Na"	46.985712
"1432591"	890.253346	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H+HCOOH"	47.012746
"223376"	871.26284	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+3H2O+2H"	56.04448
"1514723"	904.30539	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+IsoProp+H"	61.06479
"415502"	874.216788	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+Na+K"	61.952376
"773217"	1295.837088	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+Na+K"	61.952376
"1668452"	452.596488	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Na+K"	61.952376
"254984"	1750.496968	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+ACN+Na"	64.015768
"1230974"	907.256368	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+ACN+Na"	64.015768
"1715851"	907.279893	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+NH4+HCOOH"	64.039293
"1186310"	304.069418	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+3Na"	68.967654
"1658390"	912.235288	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Na+HCOOH"	68.994688
"167438"	1763.40024	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+2K-H"	76.91904
"603716"	2606.64084	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+2K-H"	76.91904
"1090781"	920.15964	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2K-H"	76.91904
"149422"	882.203758	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"2M+2K"	77.926316
"592266"	1303.824058	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"3M+2K"	77.926316
"1083339"	460.583458	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2K"	77.926316
"1115094"	922.174192	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2K+H"	78.933592
"1347470"	922.261807	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+DMSO+H"	79.021207
"1020861"	926.300976	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2ACN+H"	83.060376
"1539351"	927.294608	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+IsoProp+Na+H"	84.054008
"1005312"	463.654126	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+2ACN+2H"	84.067652
"1601513"	928.209228	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+K+HCOOH"	84.968628
"1422919"	958.240738	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+H+CF3COOH"	115.000138
"1158674"	484.167401	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+3ACN+2H"	125.094202
"1702760"	975.267285	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+NH4+CF3COOH"	132.026685
"1643878"	980.22268	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+Na+CF3COOH"	136.98208
"1575519"	996.19662	"C11438"	"C-1027 Chromophore;C-1027"	"C43H42ClN3O13"	"843.2406"	"M+K+CF3COOH"	152.95602
"816224"	827.2457	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M"	0
"987805"	808.22731	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-H2O-H"	-19.01839
"66207"	550.489857333333	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M-3H"	-3.021828
"505769"	826.238424	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M-3H"	-3.021828
"886852"	274.741290666667	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-3H"	-3.021828
"6520"	826.238424	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M-2H"	-2.014552
"448268"	1239.861274	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M-2H"	-2.014552
"821696"	412.615574	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-2H"	-2.014552
"80595"	1653.484124	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M-H"	-1.007276
"523436"	2480.729824	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M-H"	-1.007276
"905613"	826.238424	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-H"	-1.007276
"61083"	1670.510671	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M-2H+NH4"	16.019271
"495175"	2497.756371	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M-2H+NH4"	16.019271
"871883"	843.264971	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-2H+NH4"	16.019271
"34679"	1675.466066	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M-2H+Na"	20.974666
"482627"	2502.711766	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M-2H+Na"	20.974666
"856054"	848.220366	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-2H+Na"	20.974666
"1633124"	848.220366	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Na-2H"	20.974666
"108558"	844.226763	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M-H+Cl"	33.962126
"547878"	1257.849613	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M-H+Cl"	33.962126
"938478"	430.603913	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-H+Cl"	33.962126
"279220"	1689.460802	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+Cl"	34.969402
"669453"	2516.706502	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+Cl"	34.969402
"1278576"	862.215102	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Cl"	34.969402
"22226"	1691.440006	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M-2H+K"	36.948606
"457411"	2518.685706	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M-2H+K"	36.948606
"840684"	864.194306	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-2H+K"	36.948606
"1559066"	864.194306	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+K-2H"	36.948606
"946585"	872.243894	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-H+HCOOH"	44.998194
"365897"	1699.489601	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+HCOOH-H"	44.998201
"349414"	1713.505251	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+Hac-H"	59.013851
"1496424"	886.259551	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Hac-H"	59.013851
"961414"	894.225851	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-H+NaCOOH"	66.980151
"121634"	862.215102	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+2Cl"	69.938804
"564472"	1275.837952	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+2Cl"	69.938804
"1035456"	448.592252	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2Cl"	69.938804
"1252853"	906.164585	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Br"	78.918885
"1316395"	908.220572	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Cl+HCOOH"	80.974872
"1329514"	930.202529	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Cl+NaCOOH"	102.956829
"918384"	940.231286	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M-H+CF3COOH"	112.985586
"1293997"	976.207964	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Cl+CF3COOH"	148.962264
"1374348"	792.233024	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H-2H2O"	-35.012676
"1387472"	810.243	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H-H2O"	-17.0027
"287157"	1655.498676	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+H"	1.007276
"678484"	2482.744376	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+H"	1.007276
"1357022"	828.252976	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H"	1.007276
"128819"	828.252976	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+2H"	2.014552
"567283"	1241.875826	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+2H"	2.014552
"1038637"	414.630126	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2H"	2.014552
"206300"	552.504409333333	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+3H"	3.021828
"649018"	828.252976	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+3H"	3.021828
"1164956"	276.755842666667	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+3H"	3.021828
"429325"	1672.525223	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+NH4"	18.033823
"787758"	2499.770923	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+NH4"	18.033823
"1683728"	845.279523	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+NH4"	18.033823
"334931"	836.7662495	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+H+NH4"	19.041099
"728447"	1250.3890995	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+H+NH4"	19.041099
"1492366"	423.1433995	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H+NH4"	19.041099
"407643"	1677.480618	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+Na"	22.989218
"767049"	2504.726318	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+Na"	22.989218
"1615150"	850.234918	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Na"	22.989218
"325550"	839.243947	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+H+Na"	23.996494
"721256"	1252.866797	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+H+Na"	23.996494
"1472155"	425.621097	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H+Na"	23.996494
"1065405"	284.083156666667	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2H+Na"	25.00377
"1272687"	860.279186	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+CH3OH+H"	33.033486
"392825"	1693.454558	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+K"	38.963158
"751757"	2520.700258	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+K"	38.963158
"1552713"	866.208858	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+K"	38.963158
"310621"	847.230917	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+H+K"	39.970434
"702676"	1260.853767	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+H+K"	39.970434
"1455039"	433.608067	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H+K"	39.970434
"248015"	1696.525226	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+ACN+H"	42.033826
"1221819"	869.279526	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+ACN+H"	42.033826
"1201328"	435.143401	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+ACN+2H"	43.041102
"195296"	1699.46256	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+2Na-H"	44.97116
"631573"	2526.70826	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+2Na-H"	44.97116
"1136173"	872.21686	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2Na-H"	44.97116
"178370"	850.234918	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+2Na"	45.978436
"619022"	1263.857768	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+2Na"	45.978436
"1119247"	436.612068	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2Na"	45.978436
"1403865"	291.410470666667	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H+2Na"	46.985712
"1441085"	874.258446	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H+HCOOH"	47.012746
"225676"	855.26794	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+3H2O+2H"	56.04448
"1509367"	888.31049	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+IsoProp+H"	61.06479
"410142"	858.221888	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+Na+K"	61.952376
"770902"	1271.844738	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+Na+K"	61.952376
"1670764"	444.599038	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Na+K"	61.952376
"252544"	1718.507168	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+ACN+Na"	64.015768
"1229262"	891.261468	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+ACN+Na"	64.015768
"1715595"	891.284993	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+NH4+HCOOH"	64.039293
"1186420"	298.737784666667	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+3Na"	68.967654
"1658502"	896.240388	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Na+HCOOH"	68.994688
"164271"	1731.41044	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+2K-H"	76.91904
"606018"	2558.65614	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+2K-H"	76.91904
"1091625"	904.16474	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2K-H"	76.91904
"150629"	866.208858	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"2M+2K"	77.926316
"594565"	1279.831708	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"3M+2K"	77.926316
"1081264"	452.586008	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2K"	77.926316
"1113380"	906.179292	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2K+H"	78.933592
"1350739"	906.266907	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+DMSO+H"	79.021207
"1019388"	910.306076	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2ACN+H"	83.060376
"1536420"	911.299708	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+IsoProp+Na+H"	84.054008
"1000680"	455.656676	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+2ACN+2H"	84.067652
"1597368"	912.214328	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+K+HCOOH"	84.968628
"1423031"	942.245838	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+H+CF3COOH"	115.000138
"1154413"	476.169951	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+3ACN+2H"	125.094202
"1705058"	959.272385	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+NH4+CF3COOH"	132.026685
"1645083"	964.22778	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+Na+CF3COOH"	136.98208
"1578546"	980.20172	"C11441"	"Deshydroxy-C-1027 chromophore"	"C43H42ClN3O12"	"827.2457"	"M+K+CF3COOH"	152.95602
"816910"	845.2563	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M"	0
"982447"	826.23791	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-H2O-H"	-19.01839
"71785"	562.496924	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M-3H"	-3.021828
"512439"	844.249024	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M-3H"	-3.021828
"888056"	280.744824	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-3H"	-3.021828
"7723"	844.249024	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M-2H"	-2.014552
"448378"	1266.877174	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M-2H"	-2.014552
"821806"	421.620874	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-2H"	-2.014552
"80705"	1689.505324	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M-H"	-1.007276
"523546"	2534.761624	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M-H"	-1.007276
"905723"	844.249024	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-H"	-1.007276
"60829"	1706.531871	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M-2H+NH4"	16.019271
"496378"	2551.788171	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M-2H+NH4"	16.019271
"873086"	861.275571	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-2H+NH4"	16.019271
"33332"	1711.487266	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M-2H+Na"	20.974666
"482737"	2556.743566	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M-2H+Na"	20.974666
"857257"	866.230966	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-2H+Na"	20.974666
"1632146"	866.230966	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Na-2H"	20.974666
"108304"	862.237363	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M-H+Cl"	33.962126
"548230"	1284.865513	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M-H+Cl"	33.962126
"940048"	439.609213	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-H+Cl"	33.962126
"280424"	1725.482002	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+Cl"	34.969402
"670656"	2570.738302	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+Cl"	34.969402
"1277593"	880.225702	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Cl"	34.969402
"20149"	1727.461206	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M-2H+K"	36.948606
"457521"	2572.717506	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M-2H+K"	36.948606
"833620"	882.204906	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-2H+K"	36.948606
"1558812"	882.204906	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+K-2H"	36.948606
"943167"	890.254494	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-H+HCOOH"	44.998194
"364548"	1735.510801	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+HCOOH-H"	44.998201
"346000"	1749.526451	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+Hac-H"	59.013851
"1494347"	904.270151	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Hac-H"	59.013851
"961889"	912.236451	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-H+NaCOOH"	66.980151
"123201"	880.225702	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+2Cl"	69.938804
"563125"	1302.853852	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+2Cl"	69.938804
"1035202"	457.597552	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2Cl"	69.938804
"1254784"	924.175185	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Br"	78.918885
"1311035"	926.231172	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Cl+HCOOH"	80.974872
"1328530"	948.213129	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Cl+NaCOOH"	102.956829
"916307"	958.241886	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M-H+CF3COOH"	112.985586
"1289366"	994.218564	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Cl+CF3COOH"	148.962264
"1373364"	810.243624	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H-2H2O"	-35.012676
"1388674"	828.2536	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H-H2O"	-17.0027
"290549"	1691.519876	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+H"	1.007276
"680784"	2536.776176	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+H"	1.007276
"1354945"	846.263576	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H"	1.007276
"128929"	846.263576	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+2H"	2.014552
"567515"	1268.891726	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+2H"	2.014552
"1039840"	423.635426	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2H"	2.014552
"206410"	564.511476	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+3H"	3.021828
"649128"	846.263576	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+3H"	3.021828
"1166159"	282.759376	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+3H"	3.021828
"430528"	1708.546423	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+NH4"	18.033823
"793709"	2553.802723	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+NH4"	18.033823
"1683476"	863.290123	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+NH4"	18.033823
"333951"	854.7768495	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+H+NH4"	19.041099
"728555"	1277.4049995	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+H+NH4"	19.041099
"1492479"	432.1486995	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H+NH4"	19.041099
"408246"	1713.501818	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+Na"	22.989218
"767770"	2558.758118	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+Na"	22.989218
"1614898"	868.245518	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Na"	22.989218
"327606"	857.254547	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+H+Na"	23.996494
"719544"	1279.882697	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+H+Na"	23.996494
"1474457"	434.626397	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H+Na"	23.996494
"1068283"	290.08669	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2H+Na"	25.00377
"1270112"	878.289786	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+CH3OH+H"	33.033486
"392217"	1729.475758	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+K"	38.963158
"753574"	2574.732058	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+K"	38.963158
"1553555"	884.219458	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+K"	38.963158
"311826"	865.241517	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+H+K"	39.970434
"705340"	1287.869667	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+H+K"	39.970434
"1456244"	442.613367	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H+K"	39.970434
"249219"	1732.546426	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+ACN+H"	42.033826
"1223024"	887.290126	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+ACN+H"	42.033826
"1201441"	444.148701	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+ACN+2H"	43.041102
"196501"	1735.48376	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+2Na-H"	44.97116
"629863"	2580.74006	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+2Na-H"	44.97116
"1132273"	890.22746	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2Na-H"	44.97116
"175202"	868.245518	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+2Na"	45.978436
"622415"	1290.873668	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+2Na"	45.978436
"1120453"	445.617368	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2Na"	45.978436
"1401790"	297.414004	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H+2Na"	46.985712
"1435000"	892.269046	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H+HCOOH"	47.012746
"225787"	873.27854	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+3H2O+2H"	56.04448
"1510929"	906.32109	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+IsoProp+H"	61.06479
"409529"	876.232488	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+Na+K"	61.952376
"770769"	1298.860638	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+Na+K"	61.952376
"1671968"	453.604338	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Na+K"	61.952376
"255570"	1754.528368	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+ACN+Na"	64.015768
"1234477"	909.272068	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+ACN+Na"	64.015768
"1714976"	909.295593	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+NH4+HCOOH"	64.039293
"1186530"	304.741318	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+3Na"	68.967654
"1657519"	914.250988	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Na+HCOOH"	68.994688
"164381"	1767.43164	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+2K-H"	76.91904
"606129"	2612.68794	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+2K-H"	76.91904
"1099354"	922.17534	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2K-H"	76.91904
"155113"	884.219458	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"2M+2K"	77.926316
"591396"	1306.847608	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"3M+2K"	77.926316
"1079189"	461.591308	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2K"	77.926316
"1112398"	924.189892	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2K+H"	78.933592
"1347691"	924.277507	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+DMSO+H"	79.021207
"1012939"	928.316676	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2ACN+H"	83.060376
"1534344"	929.310308	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+IsoProp+Na+H"	84.054008
"997512"	464.661976	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+2ACN+2H"	84.067652
"1596388"	930.224928	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+K+HCOOH"	84.968628
"1424235"	960.256438	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+H+CF3COOH"	115.000138
"1157804"	485.175251	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+3ACN+2H"	125.094202
"1705168"	977.282985	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+NH4+CF3COOH"	132.026685
"1646286"	982.23838	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+Na+CF3COOH"	136.98208
"1578656"	998.21232	"C11442"	"Aromatized C-1027 chromophore"	"C43H44ClN3O13"	"845.2563"	"M+K+CF3COOH"	152.95602
"812306"	829.2614	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M"	0
"982560"	810.24301	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-H2O-H"	-19.01839
"71895"	551.833657333333	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M-3H"	-3.021828
"506349"	828.254124	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M-3H"	-3.021828
"892540"	275.413190666667	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-3H"	-3.021828
"13301"	828.254124	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M-2H"	-2.014552
"449582"	1242.884824	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M-2H"	-2.014552
"819728"	413.623424	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-2H"	-2.014552
"81539"	1657.515524	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M-H"	-1.007276
"525842"	2486.776924	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M-H"	-1.007276
"905833"	828.254124	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-H"	-1.007276
"60939"	1674.542071	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M-2H+NH4"	16.019271
"495395"	2503.803471	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M-2H+NH4"	16.019271
"875383"	845.280671	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-2H+NH4"	16.019271
"46085"	1679.497466	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M-2H+Na"	20.974666
"482847"	2508.758866	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M-2H+Na"	20.974666
"857367"	850.236066	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-2H+Na"	20.974666
"1633228"	850.236066	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Na-2H"	20.974666
"109143"	846.242463	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M-H+Cl"	33.962126
"545181"	1260.873163	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M-H+Cl"	33.962126
"941613"	431.611763	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-H+Cl"	33.962126
"279440"	1693.492202	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+Cl"	34.969402
"672832"	2522.753602	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+Cl"	34.969402
"1277702"	864.230802	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Cl"	34.969402
"19164"	1695.471406	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M-2H+K"	36.948606
"459818"	2524.732806	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M-2H+K"	36.948606
"835432"	866.210006	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-2H+K"	36.948606
"1557462"	866.210006	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+K-2H"	36.948606
"945344"	874.259594	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-H+HCOOH"	44.998194
"368304"	1703.521001	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+HCOOH-H"	44.998201
"348177"	1717.536651	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+Hac-H"	59.013851
"1497374"	888.275251	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Hac-H"	59.013851
"964187"	896.241551	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-H+NaCOOH"	66.980151
"123310"	864.230802	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+2Cl"	69.938804
"561413"	1278.861502	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+2Cl"	69.938804
"1035677"	449.600102	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2Cl"	69.938804
"1254165"	908.180285	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Br"	78.918885
"1313332"	910.236272	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Cl+HCOOH"	80.974872
"1326452"	932.218229	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Cl+NaCOOH"	102.956829
"913863"	942.246986	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M-H+CF3COOH"	112.985586
"1293125"	978.223664	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Cl+CF3COOH"	148.962264
"1373478"	794.248724	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H-2H2O"	-35.012676
"1386598"	812.2587	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H-H2O"	-17.0027
"293942"	1659.530076	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+H"	1.007276
"683081"	2488.791476	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+H"	1.007276
"1353231"	830.268676	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H"	1.007276
"134507"	830.268676	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+2H"	2.014552
"567140"	1244.899376	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+2H"	2.014552
"1041408"	415.637976	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2H"	2.014552
"208948"	553.848209333333	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+3H"	3.021828
"648143"	830.268676	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+3H"	3.021828
"1165899"	277.427742666667	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+3H"	3.021828
"427712"	1676.556623	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+NH4"	18.033823
"789800"	2505.818023	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+NH4"	18.033823
"1683584"	847.295223	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+NH4"	18.033823
"338433"	838.7819495	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+H+NH4"	19.041099
"727572"	1253.4126495	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+H+NH4"	19.041099
"1492214"	424.1512495	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H+NH4"	19.041099
"408114"	1681.512018	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+Na"	22.989218
"767636"	2510.773418	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+Na"	22.989218
"1616464"	852.250618	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Na"	22.989218
"328689"	841.259647	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+H+Na"	23.996494
"721842"	1255.890347	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+H+Na"	23.996494
"1474932"	426.628947	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H+Na"	23.996494
"1067702"	284.755056666667	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2H+Na"	25.00377
"1270584"	862.294886	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+CH3OH+H"	33.033486
"392204"	1697.485958	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+K"	38.963158
"753199"	2526.747358	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+K"	38.963158
"1554766"	868.224558	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+K"	38.963158
"312305"	849.246617	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+H+K"	39.970434
"705819"	1263.877317	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+H+K"	39.970434
"1460005"	434.615917	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H+K"	39.970434
"247147"	1700.556626	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+ACN+H"	42.033826
"1222044"	871.295226	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+ACN+H"	42.033826
"1204830"	436.151251	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+ACN+2H"	43.041102
"193329"	1703.49396	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+2Na-H"	44.97116
"631797"	2532.75536	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+2Na-H"	44.97116
"1134209"	874.23256	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2Na-H"	44.97116
"174340"	852.250618	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+2Na"	45.978436
"614872"	1266.881318	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+2Na"	45.978436
"1118378"	437.619918	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2Na"	45.978436
"1400809"	292.082370666667	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H+2Na"	46.985712
"1441670"	876.274146	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H+HCOOH"	47.012746
"224806"	857.28364	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+3H2O+2H"	56.04448
"1509949"	890.32619	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+IsoProp+H"	61.06479
"409640"	860.237588	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+Na+K"	61.952376
"770514"	1274.868288	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+Na+K"	61.952376
"1672078"	445.606888	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Na+K"	61.952376
"258595"	1722.538568	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+ACN+Na"	64.015768
"1233493"	893.277168	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+ACN+Na"	64.015768
"1716909"	893.300693	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+NH4+HCOOH"	64.039293
"1187733"	299.409684666667	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+3Na"	68.967654
"1664799"	898.256088	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Na+HCOOH"	68.994688
"169956"	1735.44184	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+2K-H"	76.91904
"609518"	2564.70324	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+2K-H"	76.91904
"1099378"	906.18044	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2K-H"	76.91904
"155223"	868.224558	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"2M+2K"	77.926316
"590413"	1282.855258	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"3M+2K"	77.926316
"1077113"	453.593858	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2K"	77.926316
"1110321"	908.194992	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2K+H"	78.933592
"1344520"	908.282607	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+DMSO+H"	79.021207
"1011957"	912.321776	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2ACN+H"	83.060376
"1531173"	913.315408	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+IsoProp+Na+H"	84.054008
"1000901"	456.664526	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+2ACN+2H"	84.067652
"1597593"	914.230028	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+K+HCOOH"	84.968628
"1425439"	944.261538	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+H+CF3COOH"	115.000138
"1157915"	477.177801	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+3ACN+2H"	125.094202
"1708560"	961.288085	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+NH4+CF3COOH"	132.026685
"1648951"	966.24348	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+Na+CF3COOH"	136.98208
"1582048"	982.21742	"C11443"	"Aromatized deshydroxy-C-1027 chromophore"	"C43H44ClN3O12"	"829.2614"	"M+K+CF3COOH"	152.95602
"812416"	208.0524	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M"	0
"988137"	189.03401	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-H2O-H"	-19.01839
"72005"	137.694324	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M-3H"	-3.021828
"507190"	207.045124	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M-3H"	-3.021828
"893744"	68.343524	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-3H"	-3.021828
"12320"	207.045124	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M-2H"	-2.014552
"454878"	311.071324	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M-2H"	-2.014552
"827495"	103.018924	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-2H"	-2.014552
"87486"	415.097524	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M-H"	-1.007276
"529234"	623.149924	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M-H"	-1.007276
"903756"	207.045124	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-H"	-1.007276
"50108"	432.124071	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M-2H+NH4"	16.019271
"495505"	640.176471	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M-2H+NH4"	16.019271
"873306"	224.071671	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-2H+NH4"	16.019271
"46316"	437.079466	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M-2H+Na"	20.974666
"482957"	645.131866	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M-2H+Na"	20.974666
"857477"	229.027066	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-2H+Na"	20.974666
"1633943"	229.027066	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Na-2H"	20.974666
"109253"	225.033463	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M-H+Cl"	33.962126
"548207"	329.059663	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M-H+Cl"	33.962126
"942087"	121.007263	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-H+Cl"	33.962126
"279550"	451.074202	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+Cl"	34.969402
"673063"	659.126602	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+Cl"	34.969402
"1281091"	243.021802	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Cl"	34.969402
"21460"	453.053406	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M-2H+K"	36.948606
"460292"	661.105806	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M-2H+K"	36.948606
"841011"	245.001006	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-2H+K"	36.948606
"1562312"	245.001006	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+K-2H"	36.948606
"948370"	253.050594	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-H+HCOOH"	44.998194
"369507"	461.103001	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+HCOOH-H"	44.998201
"349380"	475.118651	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+Hac-H"	59.013851
"1498213"	267.066251	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Hac-H"	59.013851
"964297"	275.032551	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-H+NaCOOH"	66.980151
"121960"	243.021802	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+2Cl"	69.938804
"562614"	347.048002	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+2Cl"	69.938804
"1031413"	138.995602	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2Cl"	69.938804
"1253179"	286.971285	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Br"	78.918885
"1310161"	289.027272	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Cl+HCOOH"	80.974872
"1328753"	311.009229	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Cl+NaCOOH"	102.956829
"921999"	321.037986	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M-H+CF3COOH"	112.985586
"1297614"	357.014664	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Cl+CF3COOH"	148.962264
"1374683"	173.039724	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H-2H2O"	-35.012676
"1391086"	191.0497	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H-H2O"	-17.0027
"286033"	417.112076	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+H"	1.007276
"681004"	625.164476	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+H"	1.007276
"1352613"	209.059676	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H"	1.007276
"126106"	209.059676	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+2H"	2.014552
"566156"	313.085876	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+2H"	2.014552
"1039701"	105.033476	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2H"	2.014552
"207966"	139.708876	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+3H"	3.021828
"648256"	209.059676	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+3H"	3.021828
"1166380"	70.358076	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+3H"	3.021828
"428557"	434.138623	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+NH4"	18.033823
"788092"	642.191023	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+NH4"	18.033823
"1685885"	226.086223	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+NH4"	18.033823
"338542"	217.5729495	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+H+NH4"	19.041099
"728774"	321.5991495	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+H+NH4"	19.041099
"1491350"	113.5467495	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H+NH4"	19.041099
"408378"	439.094018	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+Na"	22.989218
"769496"	647.146418	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+Na"	22.989218
"1615485"	231.041618	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Na"	22.989218
"328074"	220.050647	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+H+Na"	23.996494
"720494"	324.076847	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+H+Na"	23.996494
"1471038"	116.024447	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H+Na"	23.996494
"1066471"	77.68539	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2H+Na"	25.00377
"1272161"	241.085886	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+CH3OH+H"	33.033486
"387819"	455.067958	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+K"	38.963158
"752823"	663.120358	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+K"	38.963158
"1555407"	247.015558	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+K"	38.963158
"311321"	228.037617	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+H+K"	39.970434
"703740"	332.063817	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+H+K"	39.970434
"1452090"	124.011417	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H+K"	39.970434
"240696"	458.138626	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+ACN+H"	42.033826
"1214499"	250.086226	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+ACN+H"	42.033826
"1195099"	125.546751	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+ACN+2H"	43.041102
"194536"	461.07596	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+2Na-H"	44.97116
"629715"	669.12836	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+2Na-H"	44.97116
"1131886"	253.02356	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2Na-H"	44.97116
"173028"	231.041618	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+2Na"	45.978436
"614253"	335.067818	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+2Na"	45.978436
"1118488"	127.015418	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2Na"	45.978436
"1398972"	85.012704	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H+2Na"	46.985712
"1432061"	255.065146	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H+HCOOH"	47.012746
"221998"	236.07464	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+3H2O+2H"	56.04448
"1511889"	269.11719	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+IsoProp+H"	61.06479
"415951"	239.028588	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+Na+K"	61.952376
"779137"	343.054788	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+Na+K"	61.952376
"1676563"	135.002388	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Na+K"	61.952376
"259805"	480.120568	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+ACN+Na"	64.015768
"1234703"	272.068168	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+ACN+Na"	64.015768
"1720308"	272.091693	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+NH4+HCOOH"	64.039293
"1193319"	92.340018	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+3Na"	68.967654
"1661021"	277.047088	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Na+HCOOH"	68.994688
"172017"	493.02384	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+2K-H"	76.91904
"604163"	701.07624	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+2K-H"	76.91904
"1095237"	284.97144	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2K-H"	76.91904
"155333"	247.015558	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"2M+2K"	77.926316
"590521"	351.041758	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"3M+2K"	77.926316
"1081232"	142.989358	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2K"	77.926316
"1113712"	286.985992	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2K+H"	78.933592
"1345725"	287.073607	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+DMSO+H"	79.021207
"1018265"	291.112776	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2ACN+H"	83.060376
"1532380"	292.106408	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+IsoProp+Na+H"	84.054008
"1001016"	146.060026	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+2ACN+2H"	84.067652
"1596612"	293.021028	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+K+HCOOH"	84.968628
"1422270"	323.052538	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+H+CF3COOH"	115.000138
"1159120"	166.573301	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+3ACN+2H"	125.094202
"1708672"	340.079085	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+NH4+CF3COOH"	132.026685
"1649669"	345.03448	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+Na+CF3COOH"	136.98208
"1582158"	361.00842	"C11445"	"4-(12-Epoxyethyl)-89-epoxy-enediyne"	"C14H8O2"	"208.0524"	"M+K+CF3COOH"	152.95602
"809246"	226.063	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M"	0
"976582"	207.04461	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-H2O-H"	-19.01839
"63482"	149.701390666667	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M-3H"	-3.021828
"502980"	225.055724	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M-3H"	-3.021828
"882185"	74.3470573333333	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-3H"	-3.021828
"1243"	225.055724	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M-2H"	-2.014552
"441290"	338.087224	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M-2H"	-2.014552
"824321"	112.024224	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-2H"	-2.014552
"84315"	451.118724	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M-H"	-1.007276
"529344"	677.181724	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M-H"	-1.007276
"906052"	225.055724	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-H"	-1.007276
"49489"	468.145271	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M-2H+NH4"	16.019271
"490873"	694.208271	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M-2H+NH4"	16.019271
"871229"	242.082271	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-2H+NH4"	16.019271
"39132"	473.100666	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M-2H+Na"	20.974666
"483066"	699.163666	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M-2H+Na"	20.974666
"856494"	247.037666	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-2H+Na"	20.974666
"1631498"	247.037666	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Na-2H"	20.974666
"108026"	243.044063	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M-H+Cl"	33.962126
"547587"	356.075563	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M-H+Cl"	33.962126
"937824"	130.012563	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-H+Cl"	33.962126
"276379"	487.095402	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+Cl"	34.969402
"669893"	713.158402	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+Cl"	34.969402
"1279015"	261.032402	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Cl"	34.969402
"24851"	489.074606	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M-2H+K"	36.948606
"458580"	715.137606	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M-2H+K"	36.948606
"842216"	263.011606	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-2H+K"	36.948606
"1562422"	263.011606	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+K-2H"	36.948606
"945565"	271.061194	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-H+HCOOH"	44.998194
"362320"	497.124201	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+HCOOH-H"	44.998201
"346201"	511.139851	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+Hac-H"	59.013851
"1494307"	285.076851	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Hac-H"	59.013851
"959664"	293.043151	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-H+NaCOOH"	66.980151
"123163"	261.032402	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+2Cl"	69.938804
"561630"	374.063902	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+2Cl"	69.938804
"1033709"	148.000902	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2Cl"	69.938804
"1250007"	304.981885	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Br"	78.918885
"1309903"	307.037872	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Cl+HCOOH"	80.974872
"1321932"	329.019829	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Cl+NaCOOH"	102.956829
"923202"	339.048586	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M-H+CF3COOH"	112.985586
"1298818"	375.025264	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Cl+CF3COOH"	148.962264
"1375886"	191.050324	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H-2H2O"	-35.012676
"1391196"	209.0603	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H-H2O"	-17.0027
"289059"	453.133276	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+H"	1.007276
"682207"	679.196276	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+H"	1.007276
"1354180"	227.070276	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H"	1.007276
"126704"	227.070276	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+2H"	2.014552
"566750"	340.101776	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+2H"	2.014552
"1039082"	114.038776	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2H"	2.014552
"206254"	151.715942666667	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+3H"	3.021828
"647273"	227.070276	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+3H"	3.021828
"1164304"	76.3616093333333	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+3H"	3.021828
"425022"	470.159823	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+NH4"	18.033823
"787838"	696.222823	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+NH4"	18.033823
"1682104"	244.096823	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+NH4"	18.033823
"330257"	235.5835495	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+H+NH4"	19.041099
"723776"	348.6150495	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+H+NH4"	19.041099
"1477097"	122.5520495	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H+NH4"	19.041099
"401387"	475.115218	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+Na"	22.989218
"769689"	701.178218	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+Na"	22.989218
"1618189"	249.052218	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Na"	22.989218
"329155"	238.061247	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+H+Na"	23.996494
"718419"	351.092747	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+H+Na"	23.996494
"1475764"	125.029747	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H+Na"	23.996494
"1065486"	83.6889233333333	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2H+Na"	25.00377
"1268257"	259.096486	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+CH3OH+H"	33.033486
"390841"	491.089158	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+K"	38.963158
"752929"	717.152158	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+K"	38.963158
"1552063"	265.026158	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+K"	38.963158
"313612"	246.048217	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+H+K"	39.970434
"703847"	359.079717	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+H+K"	39.970434
"1458759"	133.016717	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H+K"	39.970434
"245174"	494.159826	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+ACN+H"	42.033826
"1220071"	268.096826	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+ACN+H"	42.033826
"1202860"	134.552051	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+ACN+2H"	43.041102
"199014"	497.09716	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+2Na-H"	44.97116
"629215"	723.16016	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+2Na-H"	44.97116
"1131997"	271.03416	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2Na-H"	44.97116
"174803"	249.052218	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+2Na"	45.978436
"616187"	362.083718	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+2Na"	45.978436
"1118598"	136.020718	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2Na"	45.978436
"1400054"	91.0162373333333	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H+2Na"	46.985712
"1431440"	273.075746	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H+HCOOH"	47.012746
"221865"	254.08524	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+3H2O+2H"	56.04448
"1510539"	287.12779	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+IsoProp+H"	61.06479
"411686"	257.039188	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+Na+K"	61.952376
"777058"	370.070688	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+Na+K"	61.952376
"1676673"	144.007688	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Na+K"	61.952376
"259915"	516.141768	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+ACN+Na"	64.015768
"1232625"	290.078768	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+ACN+Na"	64.015768
"1722604"	290.102293	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+NH4+HCOOH"	64.039293
"1190146"	98.3435513333333	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+3Na"	68.967654
"1662224"	295.057688	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Na+HCOOH"	68.994688
"172494"	529.04504	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+2K-H"	76.91904
"608647"	755.10804	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+2K-H"	76.91904
"1097534"	302.98204	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2K-H"	76.91904
"156541"	265.026158	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"2M+2K"	77.926316
"592818"	378.057658	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"3M+2K"	77.926316
"1081705"	151.994658	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2K"	77.926316
"1114066"	304.996592	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2K+H"	78.933592
"1345834"	305.084207	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+DMSO+H"	79.021207
"1015458"	309.123376	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2ACN+H"	83.060376
"1533583"	310.117008	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+IsoProp+Na+H"	84.054008
"1000033"	155.065326	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+2ACN+2H"	84.067652
"1595629"	311.031628	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+K+HCOOH"	84.968628
"1423475"	341.063138	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+H+CF3COOH"	115.000138
"1159230"	175.578601	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+3ACN+2H"	125.094202
"1708782"	358.089685	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+NH4+CF3COOH"	132.026685
"1649780"	363.04508	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+Na+CF3COOH"	136.98208
"1582268"	379.01902	"C11446"	"4-Dihydroxyethyl-89-epoxy-enediyne"	"C14H10O3"	"226.063"	"M+K+CF3COOH"	152.95602
"812637"	589.1438	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M"	0
"979609"	570.12541	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-H2O-H"	-19.01839
"65662"	391.755257333333	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M-3H"	-3.021828
"503640"	588.136524	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M-3H"	-3.021828
"880471"	195.373990666667	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-3H"	-3.021828
"1353"	588.136524	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M-2H"	-2.014552
"440302"	882.708424	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M-2H"	-2.014552
"821151"	293.564624	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-2H"	-2.014552
"84423"	1177.280324	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M-H"	-1.007276
"528360"	1766.424124	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M-H"	-1.007276
"906162"	588.136524	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-H"	-1.007276
"49601"	1194.306871	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M-2H+NH4"	16.019271
"493535"	1783.450671	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M-2H+NH4"	16.019271
"870246"	605.163071	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-2H+NH4"	16.019271
"39242"	1199.262266	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M-2H+Na"	20.974666
"475886"	1788.406066	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M-2H+Na"	20.974666
"857697"	610.118466	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-2H+Na"	20.974666
"1633838"	610.118466	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Na-2H"	20.974666
"109885"	606.124863	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M-H+Cl"	33.962126
"548790"	900.696763	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M-H+Cl"	33.962126
"937934"	311.552963	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-H+Cl"	33.962126
"279769"	1213.257002	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+Cl"	34.969402
"671096"	1802.400802	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+Cl"	34.969402
"1279125"	624.113202	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Cl"	34.969402
"22775"	1215.236206	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M-2H+K"	36.948606
"465617"	1804.380006	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M-2H+K"	36.948606
"842326"	626.092406	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-2H+K"	36.948606
"1562533"	626.092406	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+K-2H"	36.948606
"943853"	634.141994	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-H+HCOOH"	44.998194
"363162"	1223.285801	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+HCOOH-H"	44.998201
"348138"	1237.301451	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+Hac-H"	59.013851
"1496607"	648.157651	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Hac-H"	59.013851
"958713"	656.123951	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-H+NaCOOH"	66.980151
"124002"	624.113202	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+2Cl"	69.938804
"561740"	918.685102	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+2Cl"	69.938804
"1035279"	329.541302	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2Cl"	69.938804
"1250118"	668.062685	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Br"	78.918885
"1308921"	670.118672	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Cl+HCOOH"	80.974872
"1324593"	692.100629	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Cl+NaCOOH"	102.956829
"911374"	702.129386	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M-H+CF3COOH"	112.985586
"1297832"	738.106064	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Cl+CF3COOH"	148.962264
"1370890"	554.131124	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H-2H2O"	-35.012676
"1384374"	572.1411	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H-H2O"	-17.0027
"284424"	1179.294876	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+H"	1.007276
"679765"	1768.438676	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+H"	1.007276
"1352101"	590.151076	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H"	1.007276
"129735"	590.151076	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+2H"	2.014552
"566377"	884.722976	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+2H"	2.014552
"1040286"	295.579176	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2H"	2.014552
"211103"	393.769809333333	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+3H"	3.021828
"650664"	590.151076	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+3H"	3.021828
"1167695"	197.388542666667	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+3H"	3.021828
"427685"	1196.321423	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+NH4"	18.033823
"785654"	1785.465223	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+NH4"	18.033823
"1687199"	607.177623	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+NH4"	18.033823
"337664"	598.6643495	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+H+NH4"	19.041099
"727898"	893.2362495	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+H+NH4"	19.041099
"1477463"	304.0924495	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H+NH4"	19.041099
"401498"	1201.276818	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+Na"	22.989218
"769477"	1790.420618	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+Na"	22.989218
"1618100"	612.133018	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Na"	22.989218
"329798"	601.142047	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+H+Na"	23.996494
"722177"	895.713947	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+H+Na"	23.996494
"1476808"	306.570147	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H+Na"	23.996494
"1066327"	204.715856666667	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2H+Na"	25.00377
"1269461"	622.177286	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+CH3OH+H"	33.033486
"390951"	1217.250758	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+K"	38.963158
"753283"	1806.394558	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+K"	38.963158
"1551080"	628.106958	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+K"	38.963158
"312265"	609.129017	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+H+K"	39.970434
"704686"	903.700917	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+H+K"	39.970434
"1455590"	314.557117	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H+K"	39.970434
"244191"	1220.321426	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+ACN+H"	42.033826
"1221274"	631.177626	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+ACN+H"	42.033826
"1202970"	316.092451	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+ACN+2H"	43.041102
"200217"	1223.25876	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+2Na-H"	44.97116
"631034"	1812.40256	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+2Na-H"	44.97116
"1131357"	634.11496	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2Na-H"	44.97116
"175644"	612.133018	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+2Na"	45.978436
"615325"	906.704918	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+2Na"	45.978436
"1120895"	317.561118	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2Na"	45.978436
"1398582"	212.043170666667	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H+2Na"	46.985712
"1431064"	636.156546	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H+HCOOH"	47.012746
"221488"	617.16604	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+3H2O+2H"	56.04448
"1509556"	650.20859	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+IsoProp+H"	61.06479
"412160"	620.119988	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+Na+K"	61.952376
"778261"	914.691888	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+Na+K"	61.952376
"1674596"	325.548088	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Na+K"	61.952376
"262211"	1242.303368	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+ACN+Na"	64.015768
"1239296"	653.159568	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+ACN+Na"	64.015768
"1723807"	653.183093	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+NH4+HCOOH"	64.039293
"1190256"	219.370484666667	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+3Na"	68.967654
"1662334"	658.138488	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Na+HCOOH"	68.994688
"171874"	1255.20664	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+2K-H"	76.91904
"608757"	1844.35044	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+2K-H"	76.91904
"1097644"	666.06284	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2K-H"	76.91904
"155553"	628.106958	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"2M+2K"	77.926316
"595967"	922.678858	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"3M+2K"	77.926316
"1081815"	333.535058	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2K"	77.926316
"1110651"	668.077392	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2K+H"	78.933592
"1350440"	668.165007	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+DMSO+H"	79.021207
"1017754"	672.204176	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2ACN+H"	83.060376
"1531506"	673.197808	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+IsoProp+Na+H"	84.054008
"1002330"	336.605726	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+2ACN+2H"	84.067652
"1595739"	674.112428	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+K+HCOOH"	84.968628
"1426864"	704.143938	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+H+CF3COOH"	115.000138
"1160433"	357.119001	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+3ACN+2H"	125.094202
"1709985"	721.170485	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+NH4+CF3COOH"	132.026685
"1649282"	726.12588	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+Na+CF3COOH"	136.98208
"1582378"	742.09982	"C11447"	"dTDP-4-dimethylamino-46-dideoxy-5-C-methyl-L-mannose"	"C19H33N3O14P2"	"589.1438"	"M+K+CF3COOH"	152.95602
"809466"	984.1527	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M"	0
"979719"	965.13431	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-H2O-H"	-19.01839
"64679"	655.094524	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M-3H"	-3.021828
"503507"	983.145424	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M-3H"	-3.021828
"880581"	327.043624	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-3H"	-3.021828
"93"	983.145424	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M-2H"	-2.014552
"440003"	1475.221774	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M-2H"	-2.014552
"817170"	491.069074	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-2H"	-2.014552
"80884"	1967.298124	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M-H"	-1.007276
"525189"	2951.450824	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M-H"	-1.007276
"904085"	983.145424	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-H"	-1.007276
"52991"	1984.324671	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M-2H+NH4"	16.019271
"493645"	2968.477371	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M-2H+NH4"	16.019271
"867074"	1000.171971	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-2H+NH4"	16.019271
"39352"	1989.280066	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M-2H+Na"	20.974666
"476725"	2973.432766	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M-2H+Na"	20.974666
"857807"	1005.127366	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-2H+Na"	20.974666
"1631719"	1005.127366	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Na-2H"	20.974666
"104969"	1001.133763	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M-H+Cl"	33.962126
"542340"	1493.210113	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M-H+Cl"	33.962126
"939136"	509.057413	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-H+Cl"	33.962126
"273320"	2003.274802	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+Cl"	34.969402
"664648"	2987.427502	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+Cl"	34.969402
"1280331"	1019.122102	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Cl"	34.969402
"21793"	2005.254006	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M-2H+K"	36.948606
"461352"	2989.406706	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M-2H+K"	36.948606
"836602"	1021.101306	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-2H+K"	36.948606
"1556808"	1021.101306	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+K-2H"	36.948606
"943147"	1029.150894	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-H+HCOOH"	44.998194
"362542"	2013.303601	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+HCOOH-H"	44.998201
"345699"	2027.319251	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+Hac-H"	59.013851
"1492862"	1043.166551	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Hac-H"	59.013851
"958681"	1051.132851	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-H+NaCOOH"	66.980151
"121195"	1019.122102	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+2Cl"	69.938804
"560755"	1511.198452	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+2Cl"	69.938804
"1032833"	527.045752	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2Cl"	69.938804
"1250224"	1063.071585	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Br"	78.918885
"1311582"	1065.127572	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Cl+HCOOH"	80.974872
"1325068"	1087.109529	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Cl+NaCOOH"	102.956829
"912480"	1097.138286	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M-H+CF3COOH"	112.985586
"1297942"	1133.114964	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Cl+CF3COOH"	148.962264
"1371729"	949.140024	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H-2H2O"	-35.012676
"1384848"	967.15	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H-H2O"	-17.0027
"283477"	1969.312676	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+H"	1.007276
"676711"	2953.465376	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+H"	1.007276
"1351842"	985.159976	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H"	1.007276
"125952"	985.159976	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+2H"	2.014552
"566122"	1477.236326	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+2H"	2.014552
"1037596"	493.083626	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2H"	2.014552
"210120"	657.109076	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+3H"	3.021828
"649681"	985.159976	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+3H"	3.021828
"1169991"	329.058176	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+3H"	3.021828
"427795"	1986.339223	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+NH4"	18.033823
"786358"	2970.491923	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+NH4"	18.033823
"1687309"	1002.186523	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+NH4"	18.033823
"335587"	993.6732495	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+H+NH4"	19.041099
"724728"	1485.7495995	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+H+NH4"	19.041099
"1477450"	501.5968995	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H+NH4"	19.041099
"403794"	1991.294618	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+Na"	22.989218
"769749"	2975.447318	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+Na"	22.989218
"1618125"	1007.141918	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Na"	22.989218
"329254"	996.150947	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+H+Na"	23.996494
"720462"	1488.227297	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+H+Na"	23.996494
"1476591"	504.074597	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H+Na"	23.996494
"1066680"	336.38549	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2H+Na"	25.00377
"1269571"	1017.186186	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+CH3OH+H"	33.033486
"390332"	2007.268558	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+K"	38.963158
"753029"	2991.421258	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+K"	38.963158
"1551190"	1023.115858	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+K"	38.963158
"312375"	1004.137917	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+H+K"	39.970434
"704067"	1496.214267	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+H+K"	39.970434
"1453513"	512.061567	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H+K"	39.970434
"246488"	2010.339226	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+ACN+H"	42.033826
"1218104"	1026.186526	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+ACN+H"	42.033826
"1199800"	513.596901	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+ACN+2H"	43.041102
"200327"	2013.27656	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+2Na-H"	44.97116
"631144"	2997.42926	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+2Na-H"	44.97116
"1131350"	1029.12386	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2Na-H"	44.97116
"176118"	1007.141918	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+2Na"	45.978436
"612993"	1499.218268	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+2Na"	45.978436
"1116023"	515.065568	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2Na"	45.978436
"1398648"	343.712804	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H+2Na"	46.985712
"1431173"	1031.165446	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H+HCOOH"	47.012746
"221597"	1012.17494	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+3H2O+2H"	56.04448
"1509301"	1045.21749	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+IsoProp+H"	61.06479
"411177"	1015.128888	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+Na+K"	61.952376
"775819"	1507.205238	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+Na+K"	61.952376
"1675799"	523.052538	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Na+K"	61.952376
"263414"	2032.321168	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+ACN+Na"	64.015768
"1235030"	1048.168468	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+ACN+Na"	64.015768
"1722822"	1048.191993	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+NH4+HCOOH"	64.039293
"1188177"	351.040118	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+3Na"	68.967654
"1661349"	1053.147388	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Na+HCOOH"	68.994688
"169308"	2045.22444	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+2K-H"	76.91904
"608867"	3029.37714	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+2K-H"	76.91904
"1097754"	1061.07174	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2K-H"	76.91904
"154570"	1023.115858	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"2M+2K"	77.926316
"595226"	1515.192208	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"3M+2K"	77.926316
"1081925"	531.039508	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2K"	77.926316
"1110761"	1063.086292	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2K+H"	78.933592
"1350792"	1063.173907	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+DMSO+H"	79.021207
"1016771"	1067.213076	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2ACN+H"	83.060376
"1530523"	1068.206708	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+IsoProp+Na+H"	84.054008
"1002440"	534.110176	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+2ACN+2H"	84.067652
"1595849"	1069.121328	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+K+HCOOH"	84.968628
"1424788"	1099.152838	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+H+CF3COOH"	115.000138
"1161636"	554.623451	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+3ACN+2H"	125.094202
"1704624"	1116.179385	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+NH4+CF3COOH"	132.026685
"1649392"	1121.13478	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+Na+CF3COOH"	136.98208
"1582488"	1137.10872	"C11448"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carbonyl-CoA;Benzoxazolinyl-CoA"	"C32H43N8O20P3S"	"984.1527"	"M+K+CF3COOH"	152.95602
"809576"	277.9957	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M"	0
"977640"	258.97731	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-H2O-H"	-19.01839
"63936"	184.323190666667	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M-3H"	-3.021828
"510913"	276.988424	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M-3H"	-3.021828
"882152"	91.6579573333333	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-3H"	-3.021828
"718"	276.988424	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M-2H"	-2.014552
"446850"	415.986274	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M-2H"	-2.014552
"822466"	137.990574	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-2H"	-2.014552
"90116"	554.984124	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M-H"	-1.007276
"523113"	832.979824	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M-H"	-1.007276
"900914"	276.988424	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-H"	-1.007276
"50912"	572.010671	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M-2H+NH4"	16.019271
"490838"	850.006371	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M-2H+NH4"	16.019271
"865364"	294.014971	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-2H+NH4"	16.019271
"42743"	576.966066	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M-2H+Na"	20.974666
"480116"	854.961766	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M-2H+Na"	20.974666
"860112"	298.970366	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-2H+Na"	20.974666
"1630736"	298.970366	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Na-2H"	20.974666
"98519"	294.976763	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M-H+Cl"	33.962126
"538079"	433.974613	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M-H+Cl"	33.962126
"931594"	155.978913	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-H+Cl"	33.962126
"274524"	590.960802	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+Cl"	34.969402
"662569"	868.956502	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+Cl"	34.969402
"1276064"	312.965102	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Cl"	34.969402
"22996"	592.940006	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M-2H+K"	36.948606
"463650"	870.935706	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M-2H+K"	36.948606
"837075"	314.944306	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-2H+K"	36.948606
"1557283"	314.944306	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+K-2H"	36.948606
"943707"	322.993894	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-H+HCOOH"	44.998194
"361838"	600.989601	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+HCOOH-H"	44.998201
"347994"	615.005251	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+Hac-H"	59.013851
"1492927"	337.009551	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Hac-H"	59.013851
"964011"	344.975851	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-H+NaCOOH"	66.980151
"115836"	312.965102	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+2Cl"	69.938804
"560863"	451.962952	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+2Cl"	69.938804
"1031850"	173.967252	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2Cl"	69.938804
"1246691"	356.914585	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Br"	78.918885
"1312785"	358.970572	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Cl+HCOOH"	80.974872
"1320925"	380.952529	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Cl+NaCOOH"	102.956829
"911983"	390.981286	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M-H+CF3COOH"	112.985586
"1292583"	426.957964	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Cl+CF3COOH"	148.962264
"1371473"	242.983024	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H-2H2O"	-35.012676
"1384961"	260.993	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H-H2O"	-17.0027
"285375"	556.998676	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+H"	1.007276
"676092"	834.994376	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+H"	1.007276
"1352692"	279.002976	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H"	1.007276
"127404"	279.002976	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+2H"	2.014552
"569519"	418.000826	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+2H"	2.014552
"1039045"	140.005126	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2H"	2.014552
"210229"	186.337742666667	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+3H"	3.021828
"653070"	279.002976	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+3H"	3.021828
"1170100"	93.6725093333333	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+3H"	3.021828
"427904"	574.025223	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+NH4"	18.033823
"793279"	852.020923	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+NH4"	18.033823
"1684139"	296.029523	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+NH4"	18.033823
"333510"	287.5162495	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+H+NH4"	19.041099
"725931"	426.5140995	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+H+NH4"	19.041099
"1484127"	148.5183995	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H+NH4"	19.041099
"407196"	578.980618	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+Na"	22.989218
"766731"	856.976318	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+Na"	22.989218
"1615195"	300.984918	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Na"	22.989218
"327783"	289.993947	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+H+Na"	23.996494
"718746"	428.991797	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+H+Na"	23.996494
"1472571"	150.996097	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H+Na"	23.996494
"1064722"	100.999823333333	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2H+Na"	25.00377
"1269679"	311.029186	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+CH3OH+H"	33.033486
"390077"	594.954558	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+K"	38.963158
"751435"	872.950258	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+K"	38.963158
"1546927"	316.958858	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+K"	38.963158
"306289"	297.980917	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+H+K"	39.970434
"703084"	436.978767	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+H+K"	39.970434
"1457997"	158.983067	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H+K"	39.970434
"246601"	598.025226	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+ACN+H"	42.033826
"1220403"	320.029526	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+ACN+H"	42.033826
"1202100"	160.518401	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+ACN+2H"	43.041102
"188773"	600.96256	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+2Na-H"	44.97116
"630517"	878.95826	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+2Na-H"	44.97116
"1131798"	322.96686	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2Na-H"	44.97116
"176228"	300.984918	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+2Na"	45.978436
"614694"	439.982768	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+2Na"	45.978436
"1118199"	161.987068	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2Na"	45.978436
"1398966"	108.327137333333	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H+2Na"	46.985712
"1430677"	325.008446	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H+HCOOH"	47.012746
"220859"	306.01794	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+3H2O+2H"	56.04448
"1509287"	339.06049	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+IsoProp+H"	61.06479
"416396"	308.971888	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+Na+K"	61.952376
"779581"	447.969738	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+Na+K"	61.952376
"1673724"	169.974038	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Na+K"	61.952376
"259151"	620.007168	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+ACN+Na"	64.015768
"1236233"	342.011468	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+ACN+Na"	64.015768
"1724025"	342.034993	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+NH4+HCOOH"	64.039293
"1189383"	115.654451333333	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+3Na"	68.967654
"1662557"	346.990388	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Na+HCOOH"	68.994688
"165043"	632.91044	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+2K-H"	76.91904
"606790"	910.90614	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+2K-H"	76.91904
"1097622"	354.91474	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2K-H"	76.91904
"156261"	316.958858	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"2M+2K"	77.926316
"594244"	455.956708	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"3M+2K"	77.926316
"1082036"	177.961008	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2K"	77.926316
"1114277"	356.929292	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2K+H"	78.933592
"1341789"	357.016907	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+DMSO+H"	79.021207
"1016880"	361.056076	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2ACN+H"	83.060376
"1527350"	362.049708	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+IsoProp+Na+H"	84.054008
"993800"	181.031676	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+2ACN+2H"	84.067652
"1588179"	362.964328	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+K+HCOOH"	84.968628
"1427084"	392.995838	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+H+CF3COOH"	115.000138
"1160652"	201.544951	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+3ACN+2H"	125.094202
"1703642"	410.022385	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+NH4+CF3COOH"	132.026685
"1649706"	414.97778	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+Na+CF3COOH"	136.98208
"1582598"	430.95172	"C11453"	"2-C-Methyl-D-erythritol 24-cyclodiphosphate;3-Methyl-1234-tetrahydroxybutane-13-cyclic bisphosphate"	"C5H12O9P2"	"277.9957"	"M+K+CF3COOH"	152.95602
"804218"	410.3549	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M"	0
"981030"	391.33651	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-H2O-H"	-19.01839
"68178"	272.562657333333	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M-3H"	-3.021828
"511023"	409.347624	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M-3H"	-3.021828
"885542"	135.777690666667	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-3H"	-3.021828
"955"	409.347624	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M-2H"	-2.014552
"443678"	614.525074	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M-2H"	-2.014552
"823669"	204.170174	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-2H"	-2.014552
"92778"	819.702524	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M-H"	-1.007276
"531608"	1230.057424	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M-H"	-1.007276
"910260"	409.347624	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-H"	-1.007276
"56493"	836.729071	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M-2H+NH4"	16.019271
"491679"	1247.083971	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M-2H+NH4"	16.019271
"878233"	426.374171	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-2H+NH4"	16.019271
"42853"	841.684466	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M-2H+Na"	20.974666
"485694"	1252.039366	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M-2H+Na"	20.974666
"860222"	431.329566	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-2H+Na"	20.974666
"1630848"	431.329566	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Na-2H"	20.974666
"100816"	427.335963	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M-H+Cl"	33.962126
"541469"	632.513413	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M-H+Cl"	33.962126
"931704"	222.158513	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-H+Cl"	33.962126
"279373"	855.679202	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+Cl"	34.969402
"668147"	1266.034102	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+Cl"	34.969402
"1279455"	445.324302	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Cl"	34.969402
"25292"	857.658406	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M-2H+K"	36.948606
"467040"	1268.013306	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M-2H+K"	36.948606
"838280"	447.303506	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-2H+K"	36.948606
"1558487"	447.303506	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+K-2H"	36.948606
"945276"	455.353094	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-H+HCOOH"	44.998194
"361665"	865.708001	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+HCOOH-H"	44.998201
"348833"	879.723651	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+Hac-H"	59.013851
"1492915"	469.368751	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Hac-H"	59.013851
"966310"	477.335051	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-H+NaCOOH"	66.980151
"117040"	445.324302	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+2Cl"	69.938804
"556237"	650.501752	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+2Cl"	69.938804
"1028681"	240.146852	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2Cl"	69.938804
"1247894"	489.273785	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Br"	78.918885
"1308521"	491.329772	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Cl+HCOOH"	80.974872
"1321643"	513.311729	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Cl+NaCOOH"	102.956829
"912335"	523.340486	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M-H+CF3COOH"	112.985586
"1294153"	559.317164	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Cl+CF3COOH"	148.962264
"1375232"	375.342224	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H-2H2O"	-35.012676
"1386895"	393.3522	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H-H2O"	-17.0027
"288039"	821.717076	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+H"	1.007276
"676202"	1232.071976	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+H"	1.007276
"1352678"	411.362176	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H"	1.007276
"131891"	411.362176	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+2H"	2.014552
"566587"	616.539626	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+2H"	2.014552
"1039520"	206.184726	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2H"	2.014552
"209608"	274.577209333333	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+3H"	3.021828
"650993"	411.362176	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+3H"	3.021828
"1168023"	137.792242666667	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+3H"	3.021828
"424608"	838.743623	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+NH4"	18.033823
"794479"	1249.098523	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+NH4"	18.033823
"1685342"	428.388723	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+NH4"	18.033823
"330824"	419.8754495	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+H+NH4"	19.041099
"726041"	625.0528995	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+H+NH4"	19.041099
"1485330"	214.6979995	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H+NH4"	19.041099
"407918"	843.699018	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+Na"	22.989218
"767205"	1254.053918	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+Na"	22.989218
"1617009"	433.344118	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Na"	22.989218
"328501"	422.353147	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+H+Na"	23.996494
"719950"	627.530597	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+H+Na"	23.996494
"1474866"	217.175697	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H+Na"	23.996494
"1064835"	145.119556666667	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2H+Na"	25.00377
"1271613"	443.388386	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+CH3OH+H"	33.033486
"390917"	859.672958	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+K"	38.963158
"752638"	1270.027858	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+K"	38.963158
"1555265"	449.318058	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+K"	38.963158
"310773"	430.340117	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+H+K"	39.970434
"701007"	635.517567	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+H+K"	39.970434
"1453733"	225.162667	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H+K"	39.970434
"247804"	862.743626	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+ACN+H"	42.033826
"1221606"	452.388726	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+ACN+H"	42.033826
"1204397"	226.698001	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+ACN+2H"	43.041102
"189496"	865.68096	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+2Na-H"	44.97116
"629784"	1276.03586	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+2Na-H"	44.97116
"1134506"	455.32606	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2Na-H"	44.97116
"177432"	433.344118	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+2Na"	45.978436
"616992"	638.521568	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+2Na"	45.978436
"1118309"	228.166668	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2Na"	45.978436
"1404747"	152.446870666667	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H+2Na"	46.985712
"1430787"	457.367646	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H+HCOOH"	47.012746
"220319"	438.37714	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+3H2O+2H"	56.04448
"1508909"	471.41969	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+IsoProp+H"	61.06479
"424197"	441.331088	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+Na+K"	61.952376
"776410"	646.508538	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+Na+K"	61.952376
"1679301"	236.153638	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Na+K"	61.952376
"262541"	884.725568	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+ACN+Na"	64.015768
"1239502"	474.370668	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+ACN+Na"	64.015768
"1724135"	474.394193	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+NH4+HCOOH"	64.039293
"1192656"	159.774184666667	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+3Na"	68.967654
"1664250"	479.349588	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Na+HCOOH"	68.994688
"170622"	897.62884	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+2K-H"	76.91904
"610909"	1307.98374	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+2K-H"	76.91904
"1099068"	487.27394	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2K-H"	76.91904
"156249"	449.318058	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"2M+2K"	77.926316
"593626"	654.495508	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"3M+2K"	77.926316
"1082510"	244.140608	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2K"	77.926316
"1113533"	489.288492	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2K+H"	78.933592
"1349189"	489.376107	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+DMSO+H"	79.021207
"1015898"	493.415276	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2ACN+H"	83.060376
"1527464"	494.408908	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+IsoProp+Na+H"	84.054008
"996099"	247.211276	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+2ACN+2H"	84.067652
"1587684"	495.323528	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+K+HCOOH"	84.968628
"1419541"	525.355038	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+H+CF3COOH"	115.000138
"1158575"	267.724551	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+3ACN+2H"	125.094202
"1705943"	542.381585	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+NH4+CF3COOH"	132.026685
"1648152"	547.33698	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+Na+CF3COOH"	136.98208
"1577241"	563.31092	"C11455"	"44-Dimethyl-5alpha-cholesta-81424-trien-3beta-ol"	"C29H46O"	"410.3549"	"M+K+CF3COOH"	152.95602
"803235"	184.0736	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M"	0
"977860"	165.05521	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-H2O-H"	-19.01839
"63088"	121.708457333333	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M-3H"	-3.021828
"503595"	183.066324	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M-3H"	-3.021828
"882373"	60.3505906666667	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-3H"	-3.021828
"124"	183.066324	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M-2H"	-2.014552
"443788"	275.103124	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M-2H"	-2.014552
"823779"	91.029524	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-2H"	-2.014552
"91427"	367.139924	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M-H"	-1.007276
"529896"	551.213524	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M-H"	-1.007276
"904415"	183.066324	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-H"	-1.007276
"56603"	384.166471	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M-2H+NH4"	16.019271
"491789"	568.240071	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M-2H+NH4"	16.019271
"877251"	200.092871	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-2H+NH4"	16.019271
"42963"	389.121866	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M-2H+Na"	20.974666
"485076"	573.195466	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M-2H+Na"	20.974666
"860331"	205.048266	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-2H+Na"	20.974666
"1629864"	205.048266	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Na-2H"	20.974666
"104205"	201.054663	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M-H+Cl"	33.962126
"542672"	293.091463	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M-H+Cl"	33.962126
"931811"	109.017863	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-H+Cl"	33.962126
"270368"	403.116602	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+Cl"	34.969402
"664975"	587.190202	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+Cl"	34.969402
"1278471"	219.043002	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Cl"	34.969402
"25402"	405.095806	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M-2H+K"	36.948606
"467150"	589.169406	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M-2H+K"	36.948606
"839482"	221.022206	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-2H+K"	36.948606
"1557503"	221.022206	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+K-2H"	36.948606
"944293"	229.071794	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-H+HCOOH"	44.998194
"362015"	413.145401	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+HCOOH-H"	44.998201
"348579"	427.161051	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+Hac-H"	59.013851
"1492902"	243.087451	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Hac-H"	59.013851
"965691"	251.053751	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-H+NaCOOH"	66.980151
"116056"	219.043002	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+2Cl"	69.938804
"555981"	311.079802	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+2Cl"	69.938804
"1029155"	127.006202	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2Cl"	69.938804
"1247640"	262.992485	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Br"	78.918885
"1309724"	265.048472	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Cl+HCOOH"	80.974872
"1322846"	287.030429	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Cl+NaCOOH"	102.956829
"912809"	297.059186	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M-H+CF3COOH"	112.985586
"1294992"	333.035864	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Cl+CF3COOH"	148.962264
"1375341"	149.060924	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H-2H2O"	-35.012676
"1387370"	167.0709	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H-H2O"	-17.0027
"285597"	369.154476	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+H"	1.007276
"675948"	553.228076	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+H"	1.007276
"1352177"	185.080876	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H"	1.007276
"125735"	185.080876	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+2H"	2.014552
"566210"	277.117676	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+2H"	2.014552
"1038901"	93.044076	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2H"	2.014552
"209354"	123.723009333333	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+3H"	3.021828
"650007"	185.080876	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+3H"	3.021828
"1163759"	62.3651426666667	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+3H"	3.021828
"425931"	386.181023	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+NH4"	18.033823
"792402"	570.254623	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+NH4"	18.033823
"1683265"	202.107423	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+NH4"	18.033823
"330017"	193.5941495	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+H+NH4"	19.041099
"726151"	285.6309495	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+H+NH4"	19.041099
"1485440"	101.5573495	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H+NH4"	19.041099
"408107"	391.136418	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+Na"	22.989218
"769747"	575.210018	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+Na"	22.989218
"1617968"	207.062818	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Na"	22.989218
"329674"	196.071847	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+H+Na"	23.996494
"721153"	288.108647	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+H+Na"	23.996494
"1473518"	104.035047	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H+Na"	23.996494
"1067496"	69.6924566666667	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2H+Na"	25.00377
"1271359"	217.107086	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+CH3OH+H"	33.033486
"391027"	407.110358	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+K"	38.963158
"752748"	591.183958	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+K"	38.963158
"1554803"	223.036758	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+K"	38.963158
"309789"	204.058817	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+H+K"	39.970434
"702210"	296.095617	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+H+K"	39.970434
"1453842"	112.022017	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H+K"	39.970434
"249373"	410.181026	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+ACN+H"	42.033826
"1223175"	226.107426	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+ACN+H"	42.033826
"1207421"	113.557351	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+ACN+2H"	43.041102
"190092"	413.11836	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+2Na-H"	44.97116
"631839"	597.19196	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+2Na-H"	44.97116
"1132306"	229.04476	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2Na-H"	44.97116
"173895"	207.062818	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+2Na"	45.978436
"615280"	299.099618	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+2Na"	45.978436
"1118053"	115.026018	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2Na"	45.978436
"1401941"	77.0197706666667	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H+2Na"	46.985712
"1430017"	231.086346	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H+HCOOH"	47.012746
"223028"	212.09584	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+3H2O+2H"	56.04448
"1509140"	245.13839	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+IsoProp+H"	61.06479
"424034"	215.049788	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+Na+K"	61.952376
"776520"	307.086588	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+Na+K"	61.952376
"1675038"	123.012988	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Na+K"	61.952376
"262651"	432.162968	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+ACN+Na"	64.015768
"1240463"	248.089368	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+ACN+Na"	64.015768
"1724245"	248.112893	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+NH4+HCOOH"	64.039293
"1192522"	84.3470846666667	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+3Na"	68.967654
"1664480"	253.068288	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Na+HCOOH"	68.994688
"171581"	445.06624	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+2K-H"	76.91904
"611383"	629.13984	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+2K-H"	76.91904
"1098812"	260.99264	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2K-H"	76.91904
"154900"	223.036758	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"2M+2K"	77.926316
"594831"	315.073558	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"3M+2K"	77.926316
"1082984"	130.999958	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2K"	77.926316
"1108904"	263.007192	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2K+H"	78.933592
"1348570"	263.094807	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+DMSO+H"	79.021207
"1011634"	267.133976	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2ACN+H"	83.060376
"1529760"	268.127608	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+IsoProp+Na+H"	84.054008
"994022"	134.070626	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+2ACN+2H"	84.067652
"1588888"	269.042228	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+K+HCOOH"	84.968628
"1420744"	299.073738	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+H+CF3COOH"	115.000138
"1158685"	154.583901	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+3ACN+2H"	125.094202
"1709333"	316.100285	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+NH4+CF3COOH"	132.026685
"1648262"	321.05568	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+Na+CF3COOH"	136.98208
"1577351"	337.02962	"C11456"	"cis-3-(1-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol"	"C9H12O4"	"184.0736"	"M+K+CF3COOH"	152.95602
"803345"	166.063	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M"	0
"974360"	147.04461	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"63031"	109.701390666667	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"503584"	165.055724	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"880296"	54.3470573333333	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"123"	165.055724	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"441712"	248.087224	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"821703"	82.024224	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"83882"	331.118724	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"527820"	497.181724	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"899058"	165.055724	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"53433"	348.145271	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"487890"	514.208271	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"876633"	182.082271	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"39793"	353.100666	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"483363"	519.163666	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"858255"	187.037666	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1632161"	187.037666	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"105408"	183.044063	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"540594"	266.075563	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"930828"	100.012563	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"268412"	367.095402	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"665085"	533.158402	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1277488"	201.032402	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"25512"	369.074606	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"465074"	535.137606	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"838499"	203.011606	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1556884"	203.011606	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"944036"	211.061194	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"361580"	377.124201	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"348324"	391.139851	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1493014"	225.076851	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"966166"	233.043151	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"116532"	201.032402	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"555727"	284.063902	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1031087"	118.000902	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1248480"	244.981885	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1309833"	247.037872	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1321863"	269.019829	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"912555"	279.048586	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1295102"	315.025264	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1376544"	131.050324	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1387844"	149.0603	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"285343"	333.133276	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"675808"	499.196276	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1351442"	167.070276	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H"	1.007276
"126267"	167.070276	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"565906"	250.101776	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1038283"	84.038776	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"209464"	111.715942666667	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"646837"	167.070276	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1162926"	56.3616093333333	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"425186"	350.159823	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"792512"	516.222823	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1683375"	184.096823	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"330050"	175.5835495	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"725168"	258.6150495	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1483364"	92.5520495	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"408419"	355.115218	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"769249"	521.178218	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1618366"	189.052218	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"326656"	178.061247	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"720170"	261.092747	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1472898"	95.029747	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1066147"	63.6889233333333	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1268915"	199.096486	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"391501"	371.089158	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"752858"	537.152158	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1553818"	205.026158	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+K"	38.963158
"307711"	186.048217	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"702320"	269.079717	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1452858"	103.016717	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"250091"	374.159826	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1221826"	208.096826	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1207531"	104.552051	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"188901"	377.09716	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"629273"	543.16016	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1131536"	211.03416	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"174855"	189.052218	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"613687"	272.083718	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1117435"	106.020718	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1402781"	71.0162373333333	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1431007"	213.075746	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"224231"	194.08524	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1508888"	227.12779	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"423895"	197.039188	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"776630"	280.070688	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1680129"	114.007688	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"262761"	396.141768	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1240694"	230.078768	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1724355"	230.102293	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1192994"	78.3435513333333	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1661793"	235.057688	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"170840"	409.04504	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"610399"	575.10804	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1098071"	242.98204	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"154888"	205.026158	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"595666"	288.057658	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1081269"	121.994658	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1107921"	244.996592	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1348680"	245.084207	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1010651"	249.123376	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1527684"	250.117008	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"994132"	125.065326	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1588876"	251.031628	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1419761"	281.063138	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1158795"	145.578601	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1707256"	298.089685	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1648372"	303.04508	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1576368"	319.01902	"C11457"	"3-(3-Hydroxyphenyl)propanoic acid;Dihydro-3-coumaric acid;3-Hydroxyphenylpropanoate;3-(3-Hydroxyphenyl)propanoate"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"804548"	560.0808	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M"	0
"975892"	541.06241	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-H2O-H"	-19.01839
"63240"	372.379924	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M-3H"	-3.021828
"503694"	559.073524	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M-3H"	-3.021828
"881499"	185.686324	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-3H"	-3.021828
"311"	559.073524	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M-2H"	-2.014552
"441822"	839.113924	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M-2H"	-2.014552
"821813"	279.033124	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-2H"	-2.014552
"86178"	1119.154324	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M-H"	-1.007276
"528659"	1679.235124	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M-H"	-1.007276
"899168"	559.073524	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-H"	-1.007276
"53543"	1136.180871	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M-2H+NH4"	16.019271
"490915"	1696.261671	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M-2H+NH4"	16.019271
"875285"	576.100071	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-2H+NH4"	16.019271
"39903"	1141.136266	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M-2H+Na"	20.974666
"482381"	1701.217066	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M-2H+Na"	20.974666
"858365"	581.055466	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-2H+Na"	20.974666
"1628990"	581.055466	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Na-2H"	20.974666
"101144"	577.061863	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M-H+Cl"	33.962126
"536331"	857.102263	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M-H+Cl"	33.962126
"932032"	297.021463	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-H+Cl"	33.962126
"270589"	1155.131002	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+Cl"	34.969402
"664102"	1715.211802	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+Cl"	34.969402
"1278691"	595.050202	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Cl"	34.969402
"24529"	1157.110206	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M-2H+K"	36.948606
"464091"	1717.191006	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M-2H+K"	36.948606
"838609"	597.029406	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-2H+K"	36.948606
"1556142"	597.029406	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+K-2H"	36.948606
"943089"	605.078994	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-H+HCOOH"	44.998194
"361404"	1165.159801	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+HCOOH-H"	44.998201
"348434"	1179.175451	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+Hac-H"	59.013851
"1493366"	619.094651	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Hac-H"	59.013851
"966276"	627.060951	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-H+NaCOOH"	66.980151
"116642"	595.050202	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+2Cl"	69.938804
"555473"	875.090602	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+2Cl"	69.938804
"1031197"	315.009802	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2Cl"	69.938804
"1248589"	638.999685	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Br"	78.918885
"1311037"	641.055672	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Cl+HCOOH"	80.974872
"1321973"	663.037629	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Cl+NaCOOH"	102.956829
"912301"	673.066386	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M-H+CF3COOH"	112.985586
"1288683"	709.043064	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Cl+CF3COOH"	148.962264
"1374466"	525.068124	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H-2H2O"	-35.012676
"1387589"	543.0781	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H-H2O"	-17.0027
"285817"	1121.168876	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+H"	1.007276
"676164"	1681.249676	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+H"	1.007276
"1351662"	561.088076	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H"	1.007276
"126987"	561.088076	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+2H"	2.014552
"565977"	841.128476	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+2H"	2.014552
"1040580"	281.047676	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2H"	2.014552
"209574"	374.394476	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+3H"	3.021828
"644630"	561.088076	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+3H"	3.021828
"1163122"	187.700876	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+3H"	3.021828
"425418"	1138.195423	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+NH4"	18.033823
"789342"	1698.276223	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+NH4"	18.033823
"1681455"	578.114623	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+NH4"	18.033823
"330180"	569.6013495	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+H+NH4"	19.041099
"725278"	849.6417495	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+H+NH4"	19.041099
"1481287"	289.5609495	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H+NH4"	19.041099
"407276"	1143.150818	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+Na"	22.989218
"769483"	1703.231618	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+Na"	22.989218
"1618069"	583.070018	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Na"	22.989218
"329836"	572.079047	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+H+Na"	23.996494
"720889"	852.119447	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+H+Na"	23.996494
"1474831"	292.038647	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H+Na"	23.996494
"1067348"	195.02819	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2H+Na"	25.00377
"1270849"	593.114286	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+CH3OH+H"	33.033486
"390758"	1159.124758	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+K"	38.963158
"749689"	1719.205558	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+K"	38.963158
"1552835"	599.043958	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+K"	38.963158
"307821"	580.066017	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+H+K"	39.970434
"702066"	860.106417	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+H+K"	39.970434
"1455155"	300.025617	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H+K"	39.970434
"247040"	1162.195426	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+ACN+H"	42.033826
"1221937"	602.114626	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+ACN+H"	42.033826
"1206919"	301.560951	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+ACN+2H"	43.041102
"193227"	1165.13276	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+2Na-H"	44.97116
"629018"	1725.21356	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+2Na-H"	44.97116
"1132281"	605.05196	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2Na-H"	44.97116
"174844"	583.070018	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+2Na"	45.978436
"613675"	863.110418	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+2Na"	45.978436
"1117544"	303.029618	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2Na"	45.978436
"1400946"	202.355504	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H+2Na"	46.985712
"1430465"	607.093546	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H+HCOOH"	47.012746
"220067"	588.10304	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+3H2O+2H"	56.04448
"1508788"	621.14559	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+IsoProp+H"	61.06479
"422303"	591.056988	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+Na+K"	61.952376
"776740"	871.097388	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+Na+K"	61.952376
"1680848"	311.016588	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Na+K"	61.952376
"260684"	1184.177368	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+ACN+Na"	64.015768
"1240319"	624.096568	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+ACN+Na"	64.015768
"1725558"	624.120093	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+NH4+HCOOH"	64.039293
"1193102"	209.682818	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+3Na"	68.967654
"1663360"	629.075488	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Na+HCOOH"	68.994688
"172286"	1197.08064	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+2K-H"	76.91904
"605041"	1757.16144	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+2K-H"	76.91904
"1092833"	636.99984	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2K-H"	76.91904
"155849"	599.043958	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"2M+2K"	77.926316
"595779"	879.084358	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"3M+2K"	77.926316
"1082108"	319.003558	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2K"	77.926316
"1113500"	639.014392	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2K+H"	78.933592
"1348790"	639.102007	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+DMSO+H"	79.021207
"1012948"	643.141176	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2ACN+H"	83.060376
"1525607"	644.134808	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+IsoProp+Na+H"	84.054008
"994241"	322.074226	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+2ACN+2H"	84.067652
"1590931"	645.049428	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+K+HCOOH"	84.968628
"1420964"	675.080938	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+H+CF3COOH"	115.000138
"1159634"	342.587501	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+3ACN+2H"	125.094202
"1709553"	692.107485	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+NH4+CF3COOH"	132.026685
"1648482"	697.06288	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+Na+CF3COOH"	136.98208
"1576478"	713.03682	"C11460"	"dTDP-4-oxo-5-C-methyl-L-rhamnose;dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose"	"C17H26N2O15P2"	"560.0808"	"M+K+CF3COOH"	152.95602
"803565"	561.1125	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M"	0
"977097"	542.09411	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-H2O-H"	-19.01839
"66432"	373.067724	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M-3H"	-3.021828
"509271"	560.105224	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M-3H"	-3.021828
"881607"	186.030224	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-3H"	-3.021828
"3462"	560.105224	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M-2H"	-2.014552
"444119"	840.661474	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M-2H"	-2.014552
"824109"	279.548974	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-2H"	-2.014552
"88477"	1121.217724	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M-H"	-1.007276
"530227"	1682.330224	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M-H"	-1.007276
"906205"	560.105224	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-H"	-1.007276
"54746"	1138.244271	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M-2H+NH4"	16.019271
"494307"	1699.356771	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M-2H+NH4"	16.019271
"875759"	577.131771	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-2H+NH4"	16.019271
"41836"	1143.199666	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M-2H+Na"	20.974666
"482127"	1704.312166	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M-2H+Na"	20.974666
"858474"	582.087166	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-2H+Na"	20.974666
"1630195"	582.087166	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Na-2H"	20.974666
"104535"	578.093563	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M-H+Cl"	33.962126
"545188"	858.649813	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M-H+Cl"	33.962126
"936517"	297.537313	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-H+Cl"	33.962126
"275072"	1157.194402	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+Cl"	34.969402
"666398"	1718.306902	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+Cl"	34.969402
"1277709"	596.081902	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Cl"	34.969402
"23547"	1159.173606	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M-2H+K"	36.948606
"463107"	1720.286106	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M-2H+K"	36.948606
"837625"	598.061106	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-2H+K"	36.948606
"1558561"	598.061106	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+K-2H"	36.948606
"943284"	606.110694	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-H+HCOOH"	44.998194
"361858"	1167.223201	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+HCOOH-H"	44.998201
"346346"	1181.238851	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+Hac-H"	59.013851
"1493599"	620.126351	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Hac-H"	59.013851
"969301"	628.092651	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-H+NaCOOH"	66.980151
"116022"	596.081902	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+2Cl"	69.938804
"556675"	876.638152	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+2Cl"	69.938804
"1026930"	315.525652	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2Cl"	69.938804
"1250886"	640.031385	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Br"	78.918885
"1307500"	642.087372	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Cl+HCOOH"	80.974872
"1324999"	664.069329	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Cl+NaCOOH"	102.956829
"913869"	674.098086	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M-H+CF3COOH"	112.985586
"1290939"	710.074764	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Cl+CF3COOH"	148.962264
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"1353240"	562.119776	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+H"	1.007276
"126981"	562.119776	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+2H"	2.014552
"566540"	842.676026	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+2H"	2.014552
"1038254"	281.563526	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2H"	2.014552
"204493"	375.082276	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+3H"	3.021828
"645108"	562.119776	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+3H"	3.021828
"1164201"	188.044776	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+3H"	3.021828
"425409"	1140.258823	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+NH4"	18.033823
"786776"	1701.371323	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+NH4"	18.033823
"1682249"	579.146323	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+NH4"	18.033823
"330410"	570.6330495	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+H+NH4"	19.041099
"723113"	851.1892995	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+H+NH4"	19.041099
"1481397"	290.0767995	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+H+NH4"	19.041099
"406656"	1145.214218	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+Na"	22.989218
"768986"	1706.326718	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+Na"	22.989218
"1617205"	584.101718	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Na"	22.989218
"328824"	573.110747	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+H+Na"	23.996494
"721366"	853.666997	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+H+Na"	23.996494
"1474212"	292.554497	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+H+Na"	23.996494
"1067097"	195.37209	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2H+Na"	25.00377
"1271204"	594.145986	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+CH3OH+H"	33.033486
"388803"	1161.188158	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+K"	38.963158
"749799"	1722.300658	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+K"	38.963158
"1554038"	600.075658	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+K"	38.963158
"309754"	581.097717	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+H+K"	39.970434
"700354"	861.653967	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+H+K"	39.970434
"1455266"	300.541467	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+H+K"	39.970434
"249339"	1164.258826	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+ACN+H"	42.033826
"1222413"	603.146326	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+ACN+H"	42.033826
"1204834"	302.076801	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+ACN+2H"	43.041102
"194431"	1167.19616	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+2Na-H"	44.97116
"632894"	1728.30866	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+2Na-H"	44.97116
"1135308"	606.08366	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2Na-H"	44.97116
"177504"	584.101718	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+2Na"	45.978436
"617066"	864.657968	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+2Na"	45.978436
"1122758"	303.545468	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2Na"	45.978436
"1406281"	202.699404	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+H+2Na"	46.985712
"1434023"	608.125246	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+H+HCOOH"	47.012746
"220037"	589.13474	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+3H2O+2H"	56.04448
"1509346"	622.17729	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+IsoProp+H"	61.06479
"418040"	592.088688	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+Na+K"	61.952376
"775756"	872.644938	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+Na+K"	61.952376
"1677555"	311.532438	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Na+K"	61.952376
"259701"	1186.240768	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+ACN+Na"	64.015768
"1236782"	625.128268	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+ACN+Na"	64.015768
"1726885"	625.151793	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+NH4+HCOOH"	64.039293
"1192117"	210.026718	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+3Na"	68.967654
"1662011"	630.107188	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Na+HCOOH"	68.994688
"169965"	1199.14404	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+2K-H"	76.91904
"605151"	1760.25654	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+2K-H"	76.91904
"1092944"	638.03154	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2K-H"	76.91904
"154136"	600.075658	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"2M+2K"	77.926316
"590421"	880.631908	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"3M+2K"	77.926316
"1080397"	319.519408	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2K"	77.926316
"1109234"	640.046092	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2K+H"	78.933592
"1343432"	640.133707	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+DMSO+H"	79.021207
"1005804"	644.172876	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2ACN+H"	83.060376
"1524743"	645.166508	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+IsoProp+Na+H"	84.054008
"991071"	322.590076	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+2ACN+2H"	84.067652
"1591042"	646.081128	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+K+HCOOH"	84.968628
"1416701"	676.112638	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+H+CF3COOH"	115.000138
"1160108"	343.103351	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+3ACN+2H"	125.094202
"1711849"	693.139185	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+NH4+CF3COOH"	132.026685
"1642031"	698.09458	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+Na+CF3COOH"	136.98208
"1573307"	714.06852	"C11461"	"dTDP-4-amino-46-dideoxy-5-C-methyl-L-mannose"	"C17H29N3O14P2"	"561.1125"	"M+K+CF3COOH"	152.95602
"803676"	526.1213	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M"	0
"974655"	507.10291	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-H2O-H"	-19.01839
"66543"	349.740257333333	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M-3H"	-3.021828
"506101"	525.114024	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M-3H"	-3.021828
"884998"	174.366490666667	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-3H"	-3.021828
"1385"	525.114024	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M-2H"	-2.014552
"441675"	788.174674	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M-2H"	-2.014552
"829690"	262.053374	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-2H"	-2.014552
"89686"	1051.235324	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M-H"	-1.007276
"527059"	1577.356624	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M-H"	-1.007276
"901579"	525.114024	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-H"	-1.007276
"55955"	1068.261871	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M-2H+NH4"	16.019271
"492233"	1594.383171	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M-2H+NH4"	16.019271
"877330"	542.140571	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-2H+NH4"	16.019271
"45596"	1073.217266	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M-2H+Na"	20.974666
"482603"	1599.338566	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M-2H+Na"	20.974666
"859315"	547.095966	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-2H+Na"	20.974666
"1629213"	547.095966	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Na-2H"	20.974666
"101367"	543.102363	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M-H+Cl"	33.962126
"538742"	806.163013	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M-H+Cl"	33.962126
"927634"	280.041713	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-H+Cl"	33.962126
"274091"	1087.212002	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+Cl"	34.969402
"669792"	1613.333302	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+Cl"	34.969402
"1282194"	561.090702	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Cl"	34.969402
"21469"	1089.191206	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M-2H+K"	36.948606
"462122"	1615.312506	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M-2H+K"	36.948606
"835185"	563.069906	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-2H+K"	36.948606
"1557579"	563.069906	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+K-2H"	36.948606
"944729"	571.119494	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-H+HCOOH"	44.998194
"362213"	1097.240801	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+HCOOH-H"	44.998201
"347188"	1111.256451	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+Hac-H"	59.013851
"1496759"	585.135151	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Hac-H"	59.013851
"970140"	593.101451	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-H+NaCOOH"	66.980151
"120507"	561.090702	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+2Cl"	69.938804
"555326"	824.151352	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+2Cl"	69.938804
"1028136"	298.030052	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2Cl"	69.938804
"1249902"	605.040185	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Br"	78.918885
"1307245"	607.096172	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Cl+HCOOH"	80.974872
"1321828"	629.078129	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Cl+NaCOOH"	102.956829
"913250"	639.106886	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M-H+CF3COOH"	112.985586
"1290321"	675.083564	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Cl+CF3COOH"	148.962264
"1374687"	491.108624	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H-2H2O"	-35.012676
"1388537"	509.1186	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H-H2O"	-17.0027
"283484"	1053.249876	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+H"	1.007276
"675944"	1579.371176	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+H"	1.007276
"1352985"	527.128576	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H"	1.007276
"130250"	527.128576	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+2H"	2.014552
"566040"	790.189226	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+2H"	2.014552
"1037999"	264.067926	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2H"	2.014552
"204683"	351.754809333333	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+3H"	3.021828
"644730"	527.128576	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+3H"	3.021828
"1163100"	176.381042666667	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+3H"	3.021828
"424912"	1070.276423	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+NH4"	18.033823
"786156"	1596.397723	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+NH4"	18.033823
"1681995"	544.155123	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+NH4"	18.033823
"329982"	535.6418495	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+H+NH4"	19.041099
"722872"	798.7024995	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+H+NH4"	19.041099
"1480414"	272.5811995	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H+NH4"	19.041099
"406038"	1075.231818	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+Na"	22.989218
"769461"	1601.353118	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+Na"	22.989218
"1617805"	549.110518	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Na"	22.989218
"329422"	538.119547	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+H+Na"	23.996494
"722203"	801.180197	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+H+Na"	23.996494
"1474322"	275.058897	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H+Na"	23.996494
"1067819"	183.708356666667	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2H+Na"	25.00377
"1272171"	559.154786	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+CH3OH+H"	33.033486
"390007"	1091.205758	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+K"	38.963158
"753189"	1617.327058	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+K"	38.963158
"1553055"	565.084458	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+K"	38.963158
"310229"	546.106517	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+H+K"	39.970434
"704839"	809.167167	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+H+K"	39.970434
"1456470"	283.045867	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H+K"	39.970434
"249449"	1094.276426	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+ACN+H"	42.033826
"1222155"	568.155126	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+ACN+H"	42.033826
"1207868"	284.581201	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+ACN+2H"	43.041102
"189437"	1097.21376	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+2Na-H"	44.97116
"630090"	1623.33506	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+2Na-H"	44.97116
"1135417"	571.09246	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2Na-H"	44.97116
"176523"	549.110518	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+2Na"	45.978436
"614261"	812.171168	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+2Na"	45.978436
"1126149"	286.049868	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2Na"	45.978436
"1406391"	191.035670666667	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H+2Na"	46.985712
"1437413"	573.134046	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H+HCOOH"	47.012746
"220177"	554.14354	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+3H2O+2H"	56.04448
"1509576"	587.18609	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+IsoProp+H"	61.06479
"415963"	557.097488	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+Na+K"	61.952376
"776960"	820.158138	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+Na+K"	61.952376
"1677664"	294.036838	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Na+K"	61.952376
"264185"	1116.258368	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+ACN+Na"	64.015768
"1236892"	590.137068	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+ACN+Na"	64.015768
"1726508"	590.160593	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+NH4+HCOOH"	64.039293
"1192594"	198.362984666667	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+3Na"	68.967654
"1661396"	595.115988	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Na+HCOOH"	68.994688
"169713"	1129.16164	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+2K-H"	76.91904
"605261"	1655.28294	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+2K-H"	76.91904
"1093054"	603.04034	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2K-H"	76.91904
"153519"	565.084458	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"2M+2K"	77.926316
"592716"	828.145108	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"3M+2K"	77.926316
"1078321"	302.023808	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2K"	77.926316
"1111531"	605.054892	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2K+H"	78.933592
"1347552"	605.142507	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+DMSO+H"	79.021207
"1007701"	609.181676	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2ACN+H"	83.060376
"1524442"	610.175308	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+IsoProp+Na+H"	84.054008
"992273"	305.094476	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+2ACN+2H"	84.067652
"1594432"	611.089928	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+K+HCOOH"	84.968628
"1420089"	641.121438	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+H+CF3COOH"	115.000138
"1150378"	325.607751	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+3ACN+2H"	125.094202
"1707583"	658.147985	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+NH4+CF3COOH"	132.026685
"1637766"	663.10338	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+Na+CF3COOH"	136.98208
"1573417"	679.07732	"C11462"	"3-Hydroxy-L-tyrosyl-AMP;34-Dihydroxy-L-phenylalanyl-AMP"	"C19H23N6O10P"	"526.1213"	"M+K+CF3COOH"	152.95602
"803786"	169.0375	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M"	0
"976222"	150.01911	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-H2O-H"	-19.01839
"65558"	111.684390666667	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M-3H"	-3.021828
"505118"	168.030224	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M-3H"	-3.021828
"883285"	55.3385573333333	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-3H"	-3.021828
"766"	168.030224	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M-2H"	-2.014552
"441056"	252.548974	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M-2H"	-2.014552
"826523"	83.511474	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-2H"	-2.014552
"87244"	337.067724	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M-H"	-1.007276
"523885"	506.105224	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M-H"	-1.007276
"898409"	168.030224	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-H"	-1.007276
"50597"	354.094271	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M-2H+NH4"	16.019271
"491248"	523.131771	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M-2H+NH4"	16.019271
"875619"	185.056771	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-2H+NH4"	16.019271
"42423"	359.049666	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M-2H+Na"	20.974666
"483077"	528.087166	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M-2H+Na"	20.974666
"858693"	190.012166	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-2H+Na"	20.974666
"1626040"	190.012166	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Na-2H"	20.974666
"99290"	186.018563	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M-H+Cl"	33.962126
"535446"	270.537313	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M-H+Cl"	33.962126
"929447"	101.499813	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-H+Cl"	33.962126
"274200"	373.044402	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+Cl"	34.969402
"668808"	542.081902	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+Cl"	34.969402
"1278296"	204.006902	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Cl"	34.969402
"20487"	375.023606	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M-2H+K"	36.948606
"462232"	544.061106	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M-2H+K"	36.948606
"834319"	205.986106	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-2H+K"	36.948606
"1558417"	205.986106	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+K-2H"	36.948606
"945569"	214.035694	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-H+HCOOH"	44.998194
"361750"	383.073201	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+HCOOH-H"	44.998201
"345880"	397.088851	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+Hac-H"	59.013851
"1497597"	228.051351	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Hac-H"	59.013851
"970250"	236.017651	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-H+NaCOOH"	66.980151
"119524"	204.006902	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+2Cl"	69.938804
"555436"	288.525652	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+2Cl"	69.938804
"1026423"	119.488152	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2Cl"	69.938804
"1248919"	247.956385	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Br"	78.918885
"1306260"	250.012372	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Cl+HCOOH"	80.974872
"1323033"	271.994329	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Cl+NaCOOH"	102.956829
"915184"	282.023086	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M-H+CF3COOH"	112.985586
"1290430"	317.999764	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Cl+CF3COOH"	148.962264
"1371878"	134.024824	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H-2H2O"	-35.012676
"1385729"	152.0348	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H-H2O"	-17.0027
"284686"	339.082276	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+H"	1.007276
"676493"	508.119776	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+H"	1.007276
"1351502"	170.044776	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H"	1.007276
"126584"	170.044776	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+2H"	2.014552
"566393"	254.563526	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+2H"	2.014552
"1038105"	85.526026	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2H"	2.014552
"204917"	113.698942666667	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+3H"	3.021828
"645323"	170.044776	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+3H"	3.021828
"1163210"	57.3531093333333	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+3H"	3.021828
"424654"	356.108823	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+NH4"	18.033823
"786508"	525.146323	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+NH4"	18.033823
"1681497"	187.071323	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+NH4"	18.033823
"330345"	178.5580495	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+H+NH4"	19.041099
"722833"	263.0767995	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+H+NH4"	19.041099
"1477319"	94.0392995	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H+NH4"	19.041099
"407608"	361.064218	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+Na"	22.989218
"769206"	530.101718	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+Na"	22.989218
"1617672"	192.026718	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Na"	22.989218
"327095"	181.035747	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+H+Na"	23.996494
"716236"	265.554497	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+H+Na"	23.996494
"1476497"	96.516997	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H+Na"	23.996494
"1067322"	64.6804233333333	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2H+Na"	25.00377
"1272562"	202.070986	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+CH3OH+H"	33.033486
"389023"	377.038158	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+K"	38.963158
"748926"	546.075658	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+K"	38.963158
"1552072"	208.000658	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+K"	38.963158
"309245"	189.022717	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+H+K"	39.970434
"706042"	273.541467	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+H+K"	39.970434
"1458767"	104.503967	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H+K"	39.970434
"249922"	380.108826	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+ACN+H"	42.033826
"1221172"	211.071326	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+ACN+H"	42.033826
"1208950"	106.039301	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+ACN+2H"	43.041102
"191370"	383.04616	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+2Na-H"	44.97116
"630930"	552.08366	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+2Na-H"	44.97116
"1135528"	214.00866	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2Na-H"	44.97116
"175540"	192.026718	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+2Na"	45.978436
"615828"	276.545468	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+2Na"	45.978436
"1127352"	107.507968	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2Na"	45.978436
"1405408"	72.0077373333333	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H+2Na"	46.985712
"1434243"	216.050246	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H+HCOOH"	47.012746
"221020"	197.05974	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+3H2O+2H"	56.04448
"1509804"	230.10229	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+IsoProp+H"	61.06479
"417166"	200.013688	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+Na+K"	61.952376
"774883"	284.532438	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+Na+K"	61.952376
"1677774"	115.494938	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Na+K"	61.952376
"259921"	402.090768	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+ACN+Na"	64.015768
"1237002"	233.053268	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+ACN+Na"	64.015768
"1724795"	233.076793	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+NH4+HCOOH"	64.039293
"1192338"	79.3350513333333	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+3Na"	68.967654
"1661871"	238.032188	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Na+HCOOH"	68.994688
"170552"	414.99404	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+2K-H"	76.91904
"610837"	584.03154	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+2K-H"	76.91904
"1092070"	245.95654	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2K-H"	76.91904
"151074"	208.000658	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"2M+2K"	77.926316
"593920"	292.519408	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"3M+2K"	77.926316
"1078429"	123.481908	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2K"	77.926316
"1111640"	247.971092	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2K+H"	78.933592
"1348634"	248.058707	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+DMSO+H"	79.021207
"1008904"	252.097876	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2ACN+H"	83.060376
"1528122"	253.091508	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+IsoProp+Na+H"	84.054008
"990438"	126.552576	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+2ACN+2H"	84.067652
"1592354"	254.006128	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+K+HCOOH"	84.968628
"1420197"	284.037638	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+H+CF3COOH"	115.000138
"1148301"	147.065851	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+3ACN+2H"	125.094202
"1705506"	301.064185	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+NH4+CF3COOH"	132.026685
"1637876"	306.01958	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+Na+CF3COOH"	136.98208
"1573527"	321.99352	"C11465"	"35-Dihydroxyanthranilate;35-Dihydroxyanthranilic acid"	"C7H7NO4"	"169.0375"	"M+K+CF3COOH"	152.95602
"807177"	183.0532	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M"	0
"975968"	164.03481	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-H2O-H"	-19.01839
"66764"	121.028190666667	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M-3H"	-3.021828
"506322"	182.045924	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M-3H"	-3.021828
"884489"	60.0104573333333	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-3H"	-3.021828
"1605"	182.045924	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M-2H"	-2.014552
"440007"	273.572524	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M-2H"	-2.014552
"821155"	90.519324	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-2H"	-2.014552
"80419"	365.099124	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M-H"	-1.007276
"526177"	548.152324	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M-H"	-1.007276
"901793"	182.045924	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-H"	-1.007276
"51800"	382.125671	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M-2H+NH4"	16.019271
"493544"	565.178871	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M-2H+NH4"	16.019271
"873544"	199.072471	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-2H+NH4"	16.019271
"41442"	387.081066	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M-2H+Na"	20.974666
"482094"	570.134266	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M-2H+Na"	20.974666
"856616"	204.027866	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-2H+Na"	20.974666
"1627241"	204.027866	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Na-2H"	20.974666
"98307"	200.034263	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M-H+Cl"	33.962126
"537136"	291.560863	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M-H+Cl"	33.962126
"931380"	108.507663	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-H+Cl"	33.962126
"273218"	401.075802	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+Cl"	34.969402
"666731"	584.129002	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+Cl"	34.969402
"1276219"	218.022602	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Cl"	34.969402
"19138"	403.055006	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M-2H+K"	36.948606
"460155"	586.108206	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M-2H+K"	36.948606
"836135"	220.001806	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-2H+K"	36.948606
"1557435"	220.001806	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+K-2H"	36.948606
"942909"	228.051394	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-H+HCOOH"	44.998194
"362557"	411.104601	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+HCOOH-H"	44.998201
"345850"	425.120251	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+Hac-H"	59.013851
"1494182"	242.067051	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Hac-H"	59.013851
"967809"	250.033351	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-H+NaCOOH"	66.980151
"121092"	218.022602	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+2Cl"	69.938804
"554089"	309.549202	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+2Cl"	69.938804
"1026532"	126.496002	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2Cl"	69.938804
"1249031"	261.972085	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Br"	78.918885
"1309655"	264.028072	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Cl+HCOOH"	80.974872
"1324236"	286.010029	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Cl+NaCOOH"	102.956829
"914565"	296.038786	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M-H+CF3COOH"	112.985586
"1291271"	332.015464	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Cl+CF3COOH"	148.962264
"1372353"	148.040524	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H-2H2O"	-35.012676
"1384379"	166.0505	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H-H2O"	-17.0027
"284792"	367.113676	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+H"	1.007276
"675957"	550.166876	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+H"	1.007276
"1351326"	184.060476	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H"	1.007276
"126089"	184.060476	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+2H"	2.014552
"567355"	275.587076	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+2H"	2.014552
"1037853"	92.533876	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2H"	2.014552
"206120"	123.042742666667	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+3H"	3.021828
"644707"	184.060476	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+3H"	3.021828
"1163198"	62.0250093333333	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+3H"	3.021828
"424252"	384.140223	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+NH4"	18.033823
"785740"	567.193423	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+NH4"	18.033823
"1681401"	201.087023	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+NH4"	18.033823
"330129"	192.5737495	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+H+NH4"	19.041099
"723406"	284.1003495	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+H+NH4"	19.041099
"1477713"	101.0471495	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H+NH4"	19.041099
"406622"	389.095618	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+Na"	22.989218
"767253"	572.148818	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+Na"	22.989218
"1616076"	206.042418	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Na"	22.989218
"328664"	195.051447	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+H+Na"	23.996494
"718533"	286.578047	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+H+Na"	23.996494
"1473450"	103.524847	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H+Na"	23.996494
"1068038"	69.3523233333333	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2H+Na"	25.00377
"1270924"	216.086686	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+CH3OH+H"	33.033486
"386947"	405.069558	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+K"	38.963158
"746848"	588.122758	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+K"	38.963158
"1550725"	222.016358	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+K"	38.963158
"308262"	203.038417	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+H+K"	39.970434
"703964"	294.565017	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+H+K"	39.970434
"1456690"	111.511817	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H+K"	39.970434
"248575"	408.140226	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+ACN+H"	42.033826
"1221647"	225.087026	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+ACN+H"	42.033826
"1208450"	113.047151	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+ACN+2H"	43.041102
"200228"	411.07756	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+2Na-H"	44.97116
"630553"	594.13076	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+2Na-H"	44.97116
"1134181"	228.02436	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2Na-H"	44.97116
"174919"	206.042418	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+2Na"	45.978436
"618491"	297.569018	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+2Na"	45.978436
"1123090"	114.515818	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2Na"	45.978436
"1405519"	76.6796373333333	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H+2Na"	46.985712
"1442008"	230.065946	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H+HCOOH"	47.012746
"221131"	211.07544	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+3H2O+2H"	56.04448
"1509190"	244.11799	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+IsoProp+H"	61.06479
"413995"	214.029388	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+Na+K"	61.952376
"773899"	305.555988	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+Na+K"	61.952376
"1674603"	122.502788	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Na+K"	61.952376
"258936"	430.122168	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+ACN+Na"	64.015768
"1228363"	247.068968	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+ACN+Na"	64.015768
"1722717"	247.092493	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+NH4+HCOOH"	64.039293
"1191354"	84.0069513333333	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+3Na"	68.967654
"1662343"	252.047888	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Na+HCOOH"	68.994688
"170294"	443.02544	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+2K-H"	76.91904
"610947"	626.07864	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+2K-H"	76.91904
"1095459"	259.97224	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2K-H"	76.91904
"151184"	222.016358	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"2M+2K"	77.926316
"591839"	313.542958	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"3M+2K"	77.926316
"1079634"	130.489758	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2K"	77.926316
"1112846"	261.986792	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2K+H"	78.933592
"1347772"	262.074407	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+DMSO+H"	79.021207
"1015572"	266.113576	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2ACN+H"	83.060376
"1525678"	267.107208	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+IsoProp+Na+H"	84.054008
"991401"	133.560426	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+2ACN+2H"	84.067652
"1591370"	268.021828	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+K+HCOOH"	84.968628
"1419215"	298.053338	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+H+CF3COOH"	115.000138
"1149504"	154.073701	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+3ACN+2H"	125.094202
"1704524"	315.079885	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+NH4+CF3COOH"	132.026685
"1636894"	320.03528	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+Na+CF3COOH"	136.98208
"1573637"	336.00922	"C11466"	"5-Methoxy-3-hydroxyanthranilate;5-Methoxy-3-hydroxyanthranilic acid"	"C8H9NO4"	"183.0532"	"M+K+CF3COOH"	152.95602
"810566"	253.0586	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M"	0
"974743"	234.04021	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-H2O-H"	-19.01839
"66874"	167.698457333333	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M-3H"	-3.021828
"504245"	252.051324	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M-3H"	-3.021828
"883506"	83.3455906666667	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-3H"	-3.021828
"1715"	252.051324	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M-2H"	-2.014552
"441275"	378.580624	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M-2H"	-2.014552
"821265"	125.522024	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-2H"	-2.014552
"80529"	505.109924	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M-H"	-1.007276
"524101"	758.168524	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M-H"	-1.007276
"905185"	252.051324	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-H"	-1.007276
"56285"	522.136471	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M-2H+NH4"	16.019271
"490375"	775.195071	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M-2H+NH4"	16.019271
"873654"	269.077871	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-2H+NH4"	16.019271
"38272"	527.091866	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M-2H+Na"	20.974666
"482935"	780.150466	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M-2H+Na"	20.974666
"855632"	274.033266	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-2H+Na"	20.974666
"1629538"	274.033266	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Na-2H"	20.974666
"97323"	270.039663	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M-H+Cl"	33.962126
"535422"	396.568963	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M-H+Cl"	33.962126
"929667"	143.510363	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-H+Cl"	33.962126
"270776"	541.086602	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+Cl"	34.969402
"665748"	794.145202	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+Cl"	34.969402
"1274871"	288.028002	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Cl"	34.969402
"16452"	543.065806	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M-2H+K"	36.948606
"457350"	796.124406	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M-2H+K"	36.948606
"836610"	290.007206	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-2H+K"	36.948606
"1557911"	290.007206	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+K-2H"	36.948606
"946157"	298.056794	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-H+HCOOH"	44.998194
"363277"	551.115401	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+HCOOH-H"	44.998201
"348620"	565.131051	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+Hac-H"	59.013851
"1497088"	312.072451	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Hac-H"	59.013851
"967919"	320.038751	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-H+NaCOOH"	66.980151
"120109"	288.028002	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+2Cl"	69.938804
"556387"	414.557302	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+2Cl"	69.938804
"1026642"	161.498702	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2Cl"	69.938804
"1250234"	331.977485	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Br"	78.918885
"1309765"	334.033472	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Cl+HCOOH"	80.974872
"1323617"	356.015429	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Cl+NaCOOH"	102.956829
"915403"	366.044186	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M-H+CF3COOH"	112.985586
"1292473"	402.020864	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Cl+CF3COOH"	148.962264
"1372099"	218.045924	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H-2H2O"	-35.012676
"1384125"	236.0559	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H-H2O"	-17.0027
"283810"	507.124476	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+H"	1.007276
"675867"	760.183076	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+H"	1.007276
"1351524"	254.065876	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H"	1.007276
"125956"	254.065876	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+2H"	2.014552
"567587"	380.595176	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+2H"	2.014552
"1038206"	127.536576	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2H"	2.014552
"206107"	169.713009333333	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+3H"	3.021828
"645181"	254.065876	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+3H"	3.021828
"1163308"	85.3601426666667	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+3H"	3.021828
"424994"	524.151023	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+NH4"	18.033823
"785881"	777.209623	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+NH4"	18.033823
"1681831"	271.092423	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+NH4"	18.033823
"330606"	262.5791495	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+H+NH4"	19.041099
"724733"	389.1084495	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+H+NH4"	19.041099
"1477946"	136.0498495	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H+NH4"	19.041099
"407094"	529.106418	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+Na"	22.989218
"765902"	782.165018	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+Na"	22.989218
"1616186"	276.047818	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Na"	22.989218
"328288"	265.056847	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+H+Na"	23.996494
"720707"	391.586147	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+H+Na"	23.996494
"1471368"	138.527547	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H+Na"	23.996494
"1062426"	92.6874566666667	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2H+Na"	25.00377
"1269941"	286.092086	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+CH3OH+H"	33.033486
"385964"	545.080358	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+K"	38.963158
"745865"	798.138958	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+K"	38.963158
"1546824"	292.021758	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+K"	38.963158
"307278"	273.043817	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+H+K"	39.970434
"700792"	399.573117	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+H+K"	39.970434
"1456800"	146.514517	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H+K"	39.970434
"246496"	548.151026	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+ACN+H"	42.033826
"1222485"	295.092426	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+ACN+H"	42.033826
"1208925"	148.049851	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+ACN+2H"	43.041102
"200338"	551.08836	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+2Na-H"	44.97116
"631877"	804.14696	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+2Na-H"	44.97116
"1133926"	298.02976	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2Na-H"	44.97116
"176123"	276.047818	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+2Na"	45.978436
"620422"	402.577118	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+2Na"	45.978436
"1119189"	149.518518	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2Na"	45.978436
"1405263"	100.014770666667	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H+2Na"	46.985712
"1441024"	300.071346	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H+HCOOH"	47.012746
"221241"	281.08084	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+3H2O+2H"	56.04448
"1508462"	314.12339	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+IsoProp+H"	61.06479
"416291"	284.034788	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+Na+K"	61.952376
"775102"	410.564088	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+Na+K"	61.952376
"1674713"	157.505488	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Na+K"	61.952376
"259046"	570.132968	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+ACN+Na"	64.015768
"1229566"	317.074368	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+ACN+Na"	64.015768
"1722827"	317.097893	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+NH4+HCOOH"	64.039293
"1191463"	107.342084666667	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+3Na"	68.967654
"1664637"	322.053288	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Na+HCOOH"	68.994688
"170404"	583.03624	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+2K-H"	76.91904
"604497"	836.09484	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+2K-H"	76.91904
"1091196"	329.97764	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2K-H"	76.91904
"148014"	292.021758	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"2M+2K"	77.926316
"588669"	418.551058	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"3M+2K"	77.926316
"1076462"	165.492458	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2K"	77.926316
"1110768"	331.992192	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2K+H"	78.933592
"1347882"	332.079807	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+DMSO+H"	79.021207
"1014588"	336.118976	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2ACN+H"	83.060376
"1535994"	337.112608	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+IsoProp+Na+H"	84.054008
"990406"	168.563126	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+2ACN+2H"	84.067652
"1589293"	338.027228	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+K+HCOOH"	84.968628
"1419326"	368.058738	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+H+CF3COOH"	115.000138
"1149614"	189.076401	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+3ACN+2H"	125.094202
"1705727"	385.085285	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+NH4+CF3COOH"	132.026685
"1637004"	390.04068	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+Na+CF3COOH"	136.98208
"1573747"	406.01462	"C11467"	"N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate;N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid"	"C11H11NO6"	"253.0586"	"M+K+CF3COOH"	152.95602
"810676"	235.0481	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M"	0
"974732"	216.02971	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-H2O-H"	-19.01839
"66984"	155.691457333333	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M-3H"	-3.021828
"504355"	234.040824	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M-3H"	-3.021828
"882158"	77.3420906666667	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-3H"	-3.021828
"1096"	234.040824	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M-2H"	-2.014552
"440292"	351.564874	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M-2H"	-2.014552
"822468"	116.516774	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-2H"	-2.014552
"78852"	469.088924	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M-H"	-1.007276
"521295"	704.137024	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M-H"	-1.007276
"899828"	234.040824	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-H"	-1.007276
"53115"	486.115471	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M-2H+NH4"	16.019271
"489392"	721.163571	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M-2H+NH4"	16.019271
"873398"	251.067371	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-2H+NH4"	16.019271
"38382"	491.070866	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M-2H+Na"	20.974666
"480129"	726.118966	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M-2H+Na"	20.974666
"855742"	256.022766	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-2H+Na"	20.974666
"1627461"	256.022766	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Na-2H"	20.974666
"96703"	252.029163	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M-H+Cl"	33.962126
"534352"	369.553213	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M-H+Cl"	33.962126
"929776"	134.505113	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-H+Cl"	33.962126
"270519"	505.065602	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+Cl"	34.969402
"664399"	740.113702	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+Cl"	34.969402
"1275709"	270.017502	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Cl"	34.969402
"15946"	507.044806	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M-2H+K"	36.948606
"458189"	742.092906	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M-2H+K"	36.948606
"836355"	271.996706	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-2H+K"	36.948606
"1558021"	271.996706	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+K-2H"	36.948606
"945538"	280.046294	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-H+HCOOH"	44.998194
"361644"	515.094401	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+HCOOH-H"	44.998201
"345701"	529.110051	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+Hac-H"	59.013851
"1497198"	294.061951	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Hac-H"	59.013851
"959026"	302.028251	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-H+NaCOOH"	66.980151
"111582"	270.017502	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+2Cl"	69.938804
"552115"	387.541552	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+2Cl"	69.938804
"1026388"	152.493452	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2Cl"	69.938804
"1242318"	313.966985	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Br"	78.918885
"1309874"	316.022972	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Cl+HCOOH"	80.974872
"1321539"	338.004929	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Cl+NaCOOH"	102.956829
"913690"	348.033686	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M-H+CF3COOH"	112.985586
"1289907"	384.010364	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Cl+CF3COOH"	148.962264
"1369657"	200.035424	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H-2H2O"	-35.012676
"1383866"	218.0454	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H-H2O"	-17.0027
"284767"	471.103476	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+H"	1.007276
"676825"	706.151576	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+H"	1.007276
"1352079"	236.055376	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H"	1.007276
"126551"	236.055376	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+2H"	2.014552
"568061"	353.579426	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+2H"	2.014552
"1038317"	118.531326	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2H"	2.014552
"207313"	157.706009333333	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+3H"	3.021828
"645291"	236.055376	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+3H"	3.021828
"1163296"	79.3566426666667	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+3H"	3.021828
"424866"	488.130023	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+NH4"	18.033823
"786352"	723.178123	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+NH4"	18.033823
"1682308"	253.081923	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+NH4"	18.033823
"330834"	244.5686495	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+H+NH4"	19.041099
"723581"	362.0926995	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+H+NH4"	19.041099
"1477691"	127.0445995	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H+NH4"	19.041099
"407197"	493.085418	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+Na"	22.989218
"767467"	728.133518	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+Na"	22.989218
"1611923"	258.037318	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Na"	22.989218
"325967"	247.046347	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+H+Na"	23.996494
"719842"	364.570397	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+H+Na"	23.996494
"1468194"	129.522297	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H+Na"	23.996494
"1060349"	86.6839566666667	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2H+Na"	25.00377
"1265306"	268.081586	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+CH3OH+H"	33.033486
"384980"	509.059358	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+K"	38.963158
"747066"	744.107458	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+K"	38.963158
"1546933"	274.011258	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+K"	38.963158
"307388"	255.033317	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+H+K"	39.970434
"700902"	372.557367	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+H+K"	39.970434
"1455817"	137.509267	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H+K"	39.970434
"244419"	512.130026	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+ACN+H"	42.033826
"1218222"	277.081926	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+ACN+H"	42.033826
"1206484"	139.044601	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+ACN+2H"	43.041102
"193887"	515.06736	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+2Na-H"	44.97116
"636728"	750.11546	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+2Na-H"	44.97116
"1131850"	280.01926	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2Na-H"	44.97116
"173019"	258.037318	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+2Na"	45.978436
"615426"	375.561368	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+2Na"	45.978436
"1115824"	140.513268	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2Na"	45.978436
"1401363"	94.0112706666667	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H+2Na"	46.985712
"1432021"	282.060846	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H+HCOOH"	47.012746
"220656"	263.07034	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+3H2O+2H"	56.04448
"1509164"	296.11289	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+IsoProp+H"	61.06479
"417494"	266.024288	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+Na+K"	61.952376
"771932"	383.548338	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+Na+K"	61.952376
"1671542"	148.500238	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Na+K"	61.952376
"259155"	534.111968	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+ACN+Na"	64.015768
"1227124"	299.063868	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+ACN+Na"	64.015768
"1719657"	299.087393	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+NH4+HCOOH"	64.039293
"1188293"	101.338584666667	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+3Na"	68.967654
"1662560"	304.042788	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Na+HCOOH"	68.994688
"170514"	547.01524	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+2K-H"	76.91904
"605700"	782.06334	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+2K-H"	76.91904
"1092399"	311.96714	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2K-H"	76.91904
"148124"	274.011258	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"2M+2K"	77.926316
"585499"	391.535308	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"3M+2K"	77.926316
"1076572"	156.487208	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2K"	77.926316
"1106502"	313.981692	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2K+H"	78.933592
"1342886"	314.069307	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+DMSO+H"	79.021207
"1012511"	318.108476	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2ACN+H"	83.060376
"1533916"	319.102108	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+IsoProp+Na+H"	84.054008
"989929"	159.557876	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+2ACN+2H"	84.067652
"1588310"	320.016728	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+K+HCOOH"	84.968628
"1418343"	350.048238	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+H+CF3COOH"	115.000138
"1148631"	180.071151	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+3ACN+2H"	125.094202
"1704744"	367.074785	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+NH4+CF3COOH"	132.026685
"1637114"	372.03018	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+Na+CF3COOH"	136.98208
"1573857"	388.00412	"C11468"	"34-Dihydro-7-methoxy-2-methylene-3-oxo-2H-14-benzoxazine-5-carboxylic acid;Benzoxazolinate"	"C11H9NO5"	"235.0481"	"M+K+CF3COOH"	152.95602
"810786"	1367.2742	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M"	0
"981039"	1348.25581	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-H2O-H"	-19.01839
"67094"	910.508857333333	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M-3H"	-3.021828
"505923"	1366.266924	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M-3H"	-3.021828
"883361"	454.750790666667	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-3H"	-3.021828
"1084"	1366.266924	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M-2H"	-2.014552
"442588"	2049.904024	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M-2H"	-2.014552
"822578"	682.629824	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-2H"	-2.014552
"79896"	2733.541124	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M-H"	-1.007276
"521162"	4100.815324	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M-H"	-1.007276
"898845"	1366.266924	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-H"	-1.007276
"54318"	2750.567671	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M-2H+NH4"	16.019271
"489502"	4117.841871	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M-2H+NH4"	16.019271
"870958"	1383.293471	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-2H+NH4"	16.019271
"38492"	2755.523066	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M-2H+Na"	20.974666
"480239"	4122.797266	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M-2H+Na"	20.974666
"853665"	1388.248866	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-2H+Na"	20.974666
"1627571"	1388.248866	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Na-2H"	20.974666
"96812"	1384.255263	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M-H+Cl"	33.962126
"536006"	2067.892363	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M-H+Cl"	33.962126
"930979"	700.618163	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-H+Cl"	33.962126
"267832"	2769.517802	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+Cl"	34.969402
"664509"	4136.792002	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+Cl"	34.969402
"1275089"	1402.243602	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Cl"	34.969402
"17279"	2771.497006	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M-2H+K"	36.948606
"460850"	4138.771206	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M-2H+K"	36.948606
"833032"	1404.222806	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-2H+K"	36.948606
"1557400"	1404.222806	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+K-2H"	36.948606
"944189"	1412.272394	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-H+HCOOH"	44.998194
"365322"	2779.546601	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+HCOOH-H"	44.998201
"348476"	2793.562251	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+Hac-H"	59.013851
"1494392"	1426.288051	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Hac-H"	59.013851
"960354"	1434.254351	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-H+NaCOOH"	66.980151
"110840"	1402.243602	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+2Cl"	69.938804
"552589"	2085.880702	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+2Cl"	69.938804
"1025403"	718.606502	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2Cl"	69.938804
"1244982"	1446.193085	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Br"	78.918885
"1306337"	1448.249072	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Cl+HCOOH"	80.974872
"1320427"	1470.231029	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Cl+NaCOOH"	102.956829
"913191"	1480.259786	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M-H+CF3COOH"	112.985586
"1291238"	1516.236464	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Cl+CF3COOH"	148.962264
"1367692"	1332.261524	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H-2H2O"	-35.012676
"1385074"	1350.2715	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H-H2O"	-17.0027
"284515"	2735.555676	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+H"	1.007276
"676692"	4102.829876	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+H"	1.007276
"1352924"	1368.281476	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H"	1.007276
"128610"	1368.281476	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+2H"	2.014552
"568901"	2051.918576	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+2H"	2.014552
"1038548"	684.644376	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2H"	2.014552
"205354"	912.523409333333	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+3H"	3.021828
"644549"	1368.281476	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+3H"	3.021828
"1163041"	456.765342666667	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+3H"	3.021828
"424338"	2752.582223	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+NH4"	18.033823
"786087"	4119.856423	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+NH4"	18.033823
"1686441"	1385.308023	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+NH4"	18.033823
"335816"	1376.7947495	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+H+NH4"	19.041099
"729331"	2060.4318495	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+H+NH4"	19.041099
"1485338"	693.1576495	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H+NH4"	19.041099
"407673"	2757.537618	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+Na"	22.989218
"768306"	4124.811818	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+Na"	22.989218
"1614946"	1390.263418	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Na"	22.989218
"324981"	1379.272447	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+H+Na"	23.996494
"720439"	2062.909547	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+H+Na"	23.996494
"1468304"	695.635347	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H+Na"	23.996494
"1059366"	464.092656666667	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2H+Na"	25.00377
"1265418"	1400.307686	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+CH3OH+H"	33.033486
"385090"	2773.511558	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+K"	38.963158
"746085"	4140.785758	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+K"	38.963158
"1549231"	1406.237358	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+K"	38.963158
"309685"	1387.259417	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+H+K"	39.970434
"695547"	2070.896517	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+H+K"	39.970434
"1452647"	703.622317	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H+K"	39.970434
"239061"	2776.582226	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+ACN+H"	42.033826
"1217237"	1409.308026	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+ACN+H"	42.033826
"1205497"	705.157651	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+ACN+2H"	43.041102
"192904"	2779.51956	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+2Na-H"	44.97116
"636838"	4146.79376	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+2Na-H"	44.97116
"1132444"	1412.24536	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2Na-H"	44.97116
"173296"	1390.263418	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+2Na"	45.978436
"613425"	2073.900518	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+2Na"	45.978436
"1116492"	706.626318	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2Na"	45.978436
"1399284"	471.419970666667	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H+2Na"	46.985712
"1430673"	1414.286946	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H+HCOOH"	47.012746
"220153"	1395.29644	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+3H2O+2H"	56.04448
"1508623"	1428.33899	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+IsoProp+H"	61.06479
"414321"	1398.250388	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+Na+K"	61.952376
"773135"	2081.887488	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+Na+K"	61.952376
"1673838"	714.613288	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Na+K"	61.952376
"257078"	2798.564168	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+ACN+Na"	64.015768
"1229785"	1431.289968	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+ACN+Na"	64.015768
"1717578"	1431.313493	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+NH4+HCOOH"	64.039293
"1187308"	478.747284666667	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+3Na"	68.967654
"1657203"	1436.268888	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Na+HCOOH"	68.994688
"168437"	2811.46744	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+2K-H"	76.91904
"602531"	4178.74164	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+2K-H"	76.91904
"1091420"	1444.19324	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2K-H"	76.91904
"148237"	1406.237358	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"2M+2K"	77.926316
"588890"	2089.874458	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"3M+2K"	77.926316
"1072310"	722.600258	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2K"	77.926316
"1103333"	1446.207792	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2K+H"	78.933592
"1339718"	1446.295407	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+DMSO+H"	79.021207
"1005806"	1450.334576	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2ACN+H"	83.060376
"1525520"	1451.328208	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+IsoProp+Na+H"	84.054008
"992093"	725.670926	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+2ACN+2H"	84.067652
"1588905"	1452.242828	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+K+HCOOH"	84.968628
"1417360"	1482.274338	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+H+CF3COOH"	115.000138
"1158584"	746.184201	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+3ACN+2H"	125.094202
"1704854"	1499.300885	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+NH4+CF3COOH"	132.026685
"1640504"	1504.25628	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+Na+CF3COOH"	136.98208
"1572873"	1520.23022	"C11469"	"Calicheamicin gamma(1)I;Calichemicin gamma1"	"C55H74IN3O21S4"	"1367.2742"	"M+K+CF3COOH"	152.95602
"816368"	537.106	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M"	0
"986617"	518.08761	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-H2O-H"	-19.01839
"72673"	357.063390666667	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M-3H"	-3.021828
"511139"	536.098724	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M-3H"	-3.021828
"886754"	178.028057333333	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-3H"	-3.021828
"6423"	536.098724	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M-2H"	-2.014552
"449262"	804.651724	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M-2H"	-2.014552
"824879"	267.545724	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-2H"	-2.014552
"81589"	1073.204724	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M-H"	-1.007276
"531360"	1610.310724	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M-H"	-1.007276
"908067"	536.098724	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-H"	-1.007276
"58809"	1090.231271	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M-2H+NH4"	16.019271
"499459"	1627.337271	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M-2H+NH4"	16.019271
"871797"	553.125271	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-2H+NH4"	16.019271
"37875"	1095.186666	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M-2H+Na"	20.974666
"480350"	1632.292666	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M-2H+Na"	20.974666
"859247"	558.080666	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-2H+Na"	20.974666
"1625499"	558.080666	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Na-2H"	20.974666
"99841"	554.087063	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M-H+Cl"	33.962126
"541590"	822.640063	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M-H+Cl"	33.962126
"932189"	285.534063	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-H+Cl"	33.962126
"278035"	1109.181402	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+Cl"	34.969402
"668269"	1646.287402	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+Cl"	34.969402
"1282859"	572.075402	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Cl"	34.969402
"28694"	1111.160606	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M-2H+K"	36.948606
"467160"	1648.266606	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M-2H+K"	36.948606
"841316"	574.054606	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-2H+K"	36.948606
"1562980"	574.054606	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+K-2H"	36.948606
"949405"	582.104194	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-H+HCOOH"	44.998194
"364704"	1119.210201	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+HCOOH-H"	44.998201
"349680"	1133.225851	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+Hac-H"	59.013851
"1493408"	596.119851	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Hac-H"	59.013851
"962046"	604.086151	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-H+NaCOOH"	66.980151
"114238"	572.075402	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+2Cl"	69.938804
"553432"	840.628402	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+2Cl"	69.938804
"1030987"	303.522402	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2Cl"	69.938804
"1252751"	616.024885	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Br"	78.918885
"1313012"	618.080872	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Cl+HCOOH"	80.974872
"1320540"	640.062829	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Cl+NaCOOH"	102.956829
"915006"	650.091586	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M-H+CF3COOH"	112.985586
"1294995"	686.068264	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Cl+CF3COOH"	148.962264
"1367108"	502.093324	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H-2H2O"	-35.012676
"1384454"	520.1033	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H-H2O"	-17.0027
"282849"	1075.219276	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+H"	1.007276
"676114"	1612.325276	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+H"	1.007276
"1352548"	538.113276	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H"	1.007276
"130908"	538.113276	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+2H"	2.014552
"573751"	806.666276	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+2H"	2.014552
"1044738"	269.560276	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2H"	2.014552
"210452"	359.077942666667	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+3H"	3.021828
"646729"	538.113276	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+3H"	3.021828
"1165948"	180.042609333333	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+3H"	3.021828
"424560"	1092.245823	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+NH4"	18.033823
"789124"	1629.351823	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+NH4"	18.033823
"1682294"	555.139823	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+NH4"	18.033823
"335926"	546.6265495	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+H+NH4"	19.041099
"732721"	815.1795495	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+H+NH4"	19.041099
"1492660"	278.0735495	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H+NH4"	19.041099
"407418"	1097.201218	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+Na"	22.989218
"768052"	1634.307218	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+Na"	22.989218
"1616150"	560.095218	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Na"	22.989218
"327643"	549.104247	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+H+Na"	23.996494
"720063"	817.657247	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+H+Na"	23.996494
"1473886"	280.551247	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H+Na"	23.996494
"1064947"	187.369923333333	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2H+Na"	25.00377
"1269906"	570.139486	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+CH3OH+H"	33.033486
"389578"	1113.175158	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+K"	38.963158
"747288"	1650.281158	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+K"	38.963158
"1550435"	576.069158	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+K"	38.963158
"310895"	557.091217	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+H+K"	39.970434
"702222"	825.644217	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+H+K"	39.970434
"1454946"	288.538217	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H+K"	39.970434
"244646"	1116.245826	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+ACN+H"	42.033826
"1220633"	579.139826	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+ACN+H"	42.033826
"1204518"	290.073551	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+ACN+2H"	43.041102
"194109"	1119.18316	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+2Na-H"	44.97116
"634762"	1656.28916	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+2Na-H"	44.97116
"1136445"	582.07716	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2Na-H"	44.97116
"174385"	560.095218	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+2Na"	45.978436
"613702"	828.648218	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+2Na"	45.978436
"1118789"	291.542218	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2Na"	45.978436
"1401220"	194.697237333333	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H+2Na"	46.985712
"1439170"	584.118746	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H+HCOOH"	47.012746
"220353"	565.12824	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+3H2O+2H"	56.04448
"1509270"	598.17079	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+IsoProp+H"	61.06479
"411877"	568.082188	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+Na+K"	61.952376
"779804"	836.635188	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+Na+K"	61.952376
"1673948"	299.529188	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Na+K"	61.952376
"256457"	1138.227768	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+ACN+Na"	64.015768
"1228436"	601.121768	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+ACN+Na"	64.015768
"1718782"	601.145293	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+NH4+HCOOH"	64.039293
"1183043"	202.024551333333	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+3Na"	68.967654
"1660593"	606.100688	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Na+HCOOH"	68.994688
"168917"	1151.13104	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+2K-H"	76.91904
"605923"	1688.23704	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+2K-H"	76.91904
"1086061"	614.02504	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2K-H"	76.91904
"142633"	576.069158	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"2M+2K"	77.926316
"583525"	844.622158	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"3M+2K"	77.926316
"1070233"	307.516158	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2K"	77.926316
"1100885"	616.039592	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2K+H"	78.933592
"1336299"	616.127207	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+DMSO+H"	79.021207
"1006046"	620.166376	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2ACN+H"	83.060376
"1525508"	621.160008	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+IsoProp+Na+H"	84.054008
"990863"	310.586826	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+2ACN+2H"	84.067652
"1587389"	622.074628	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+K+HCOOH"	84.968628
"1415646"	652.106138	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+H+CF3COOH"	115.000138
"1148851"	331.100101	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+3ACN+2H"	125.094202
"1701684"	669.132685	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+NH4+CF3COOH"	132.026685
"1640614"	674.08808	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+Na+CF3COOH"	136.98208
"1572983"	690.06202	"C11471"	"Dynemicin A"	"C30H19NO9"	"537.106"	"M+K+CF3COOH"	152.95602
"807725"	370.0066	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M"	0
"977976"	350.98821	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H2O-H"	-19.01839
"73876"	245.663790666667	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-3H"	-3.021828
"507968"	368.999324	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-3H"	-3.021828
"885771"	122.328257333333	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-3H"	-3.021828
"9813"	368.999324	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H"	-2.014552
"442082"	554.002624	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H"	-2.014552
"820616"	183.996024	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H"	-2.014552
"79512"	739.005924	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-H"	-1.007276
"524543"	1109.012524	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-H"	-1.007276
"905625"	368.999324	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H"	-1.007276
"58919"	756.032471	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+NH4"	16.019271
"501391"	1126.039071	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+NH4"	16.019271
"870813"	386.025871	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+NH4"	16.019271
"37622"	760.987866	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+Na"	20.974666
"481554"	1130.994466	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+Na"	20.974666
"859357"	390.981266	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+Na"	20.974666
"1629980"	390.981266	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na-2H"	20.974666
"101044"	386.987663	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-H+Cl"	33.962126
"544978"	571.990963	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-H+Cl"	33.962126
"937401"	201.984363	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+Cl"	33.962126
"280332"	774.982602	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Cl"	34.969402
"667285"	1144.989202	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+Cl"	34.969402
"1282967"	404.976002	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl"	34.969402
"28805"	776.961806	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+K"	36.948606
"467272"	1146.968406	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+K"	36.948606
"840698"	406.955206	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+K"	36.948606
"1563092"	406.955206	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K-2H"	36.948606
"949881"	415.004794	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+HCOOH"	44.998194
"365910"	785.011401	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+HCOOH-H"	44.998201
"350520"	799.027051	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Hac-H"	59.013851
"1499717"	429.020451	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Hac-H"	59.013851
"962157"	436.986751	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+NaCOOH"	66.980151
"113620"	404.976002	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Cl"	69.938804
"553542"	589.979302	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Cl"	69.938804
"1032193"	219.972702	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2Cl"	69.938804
"1251405"	448.925485	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Br"	78.918885
"1312029"	450.981472	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+HCOOH"	80.974872
"1328432"	472.963429	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+NaCOOH"	102.956829
"912927"	482.992186	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+CF3COOH"	112.985586
"1292918"	518.968864	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+CF3COOH"	148.962264
"1367510"	334.993924	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H-2H2O"	-35.012676
"1382856"	353.0039	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H-H2O"	-17.0027
"282946"	741.020476	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H"	1.007276
"675938"	1111.027076	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H"	1.007276
"1351925"	371.013876	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H"	1.007276
"125902"	371.013876	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2H"	2.014552
"566146"	556.017176	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2H"	2.014552
"1037554"	186.010576	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2H"	2.014552
"210562"	247.678342666667	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+3H"	3.021828
"650122"	371.013876	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+3H"	3.021828
"1170433"	124.342809333333	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+3H"	3.021828
"432612"	758.047023	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+NH4"	18.033823
"791422"	1128.053623	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+NH4"	18.033823
"1696147"	388.040423	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4"	18.033823
"344790"	379.5271495	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+NH4"	19.041099
"737453"	564.5304495	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+NH4"	19.041099
"1491638"	194.5238495	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+NH4"	19.041099
"408451"	763.002418	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Na"	22.989218
"768524"	1133.009018	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+Na"	22.989218
"1616989"	392.995818	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na"	22.989218
"328484"	382.004847	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+Na"	23.996494
"721269"	567.008147	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+Na"	23.996494
"1472904"	197.001547	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+Na"	23.996494
"1065786"	131.670123333333	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2H+Na"	25.00377
"1268927"	403.040086	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+CH3OH+H"	33.033486
"391874"	778.976358	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+K"	38.963158
"750683"	1148.982958	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+K"	38.963158
"1552736"	408.969758	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K"	38.963158
"311002"	389.991817	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+K"	39.970434
"701240"	574.995117	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+K"	39.970434
"1458339"	204.988517	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+K"	39.970434
"244756"	782.047026	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+ACN+H"	42.033826
"1221836"	412.040426	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+H"	42.033826
"1206816"	206.523851	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+2H"	43.041102
"197500"	784.98436	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Na-H"	44.97116
"630496"	1154.99096	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Na-H"	44.97116
"1136189"	414.97776	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2Na-H"	44.97116
"174006"	392.995818	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Na"	45.978436
"614539"	577.999118	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Na"	45.978436
"1115737"	207.992518	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2Na"	45.978436
"1399381"	138.997437333333	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+2Na"	46.985712
"1430530"	417.019346	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+HCOOH"	47.012746
"220342"	398.02884	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+3H2O+2H"	56.04448
"1510838"	431.07139	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+IsoProp+H"	61.06479
"410530"	400.982788	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Na+K"	61.952376
"777727"	585.986088	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+Na+K"	61.952376
"1668954"	215.979488	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+K"	61.952376
"255108"	804.028968	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+ACN+Na"	64.015768
"1229640"	434.022368	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+Na"	64.015768
"1722173"	434.045893	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4+HCOOH"	64.039293
"1184613"	146.324751333333	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+3Na"	68.967654
"1654140"	439.001288	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+HCOOH"	68.994688
"166472"	816.93224	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2K-H"	76.91904
"601656"	1186.93884	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2K-H"	76.91904
"1087626"	446.92564	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2K-H"	76.91904
"143108"	408.969758	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2K"	77.926316
"582906"	593.973058	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2K"	77.926316
"1071436"	223.966458	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2K"	77.926316
"1100876"	448.940192	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2K+H"	78.933592
"1336527"	449.027807	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+DMSO+H"	79.021207
"1005743"	453.066976	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2ACN+H"	83.060376
"1524440"	454.060608	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+IsoProp+Na+H"	84.054008
"989965"	227.037126	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2ACN+2H"	84.067652
"1587663"	454.975228	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K+HCOOH"	84.968628
"1416485"	485.006738	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+CF3COOH"	115.000138
"1148961"	247.550401	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+3ACN+2H"	125.094202
"1705074"	502.033285	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4+CF3COOH"	132.026685
"1640724"	506.98868	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+CF3COOH"	136.98208
"1573093"	522.96262	"C11472"	"D-glycero-beta-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K+CF3COOH"	152.95602
"807835"	181.0054	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M"	0
"978086"	161.98701	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-H2O-H"	-19.01839
"69609"	119.662990666667	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M-3H"	-3.021828
"508077"	179.998124	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M-3H"	-3.021828
"882601"	59.3278573333333	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-3H"	-3.021828
"9923"	179.998124	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M-2H"	-2.014552
"447295"	270.500824	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M-2H"	-2.014552
"820726"	89.495424	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-2H"	-2.014552
"78891"	361.003524	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M-H"	-1.007276
"524653"	542.008924	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M-H"	-1.007276
"905735"	179.998124	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-H"	-1.007276
"61094"	378.030071	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M-2H+NH4"	16.019271
"501260"	559.035471	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M-2H+NH4"	16.019271
"870925"	197.024671	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-2H+NH4"	16.019271
"43199"	382.985466	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M-2H+Na"	20.974666
"482758"	563.990866	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M-2H+Na"	20.974666
"861653"	201.980066	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-2H+Na"	20.974666
"1630090"	201.980066	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Na-2H"	20.974666
"100424"	197.986463	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M-H+Cl"	33.962126
"545088"	288.489163	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M-H+Cl"	33.962126
"938604"	107.483763	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-H+Cl"	33.962126
"281779"	396.980202	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+Cl"	34.969402
"669582"	577.985602	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+Cl"	34.969402
"1285264"	215.974802	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Cl"	34.969402
"30008"	398.959406	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M-2H+K"	36.948606
"468475"	579.964806	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M-2H+K"	36.948606
"839715"	217.954006	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-2H+K"	36.948606
"1562109"	217.954006	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+K-2H"	36.948606
"951084"	226.003594	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-H+HCOOH"	44.998194
"366020"	407.009001	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+HCOOH-H"	44.998201
"350996"	421.024651	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+Hac-H"	59.013851
"1498734"	240.019251	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Hac-H"	59.013851
"961537"	247.985551	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-H+NaCOOH"	66.980151
"113366"	215.974802	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+2Cl"	69.938804
"552923"	306.477502	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+2Cl"	69.938804
"1034490"	125.472102	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2Cl"	69.938804
"1250786"	259.924285	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Br"	78.918885
"1313233"	261.980272	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Cl+HCOOH"	80.974872
"1328544"	283.962229	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Cl+NaCOOH"	102.956829
"922882"	293.990986	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M-H+CF3COOH"	112.985586
"1293029"	329.967664	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Cl+CF3COOH"	148.962264
"1367541"	145.992724	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H-2H2O"	-35.012676
"1384673"	164.0027	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H-H2O"	-17.0027
"283020"	363.018076	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+H"	1.007276
"676089"	544.023476	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+H"	1.007276
"1352767"	182.012676	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H"	1.007276
"126867"	182.012676	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+2H"	2.014552
"565895"	272.515376	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+2H"	2.014552
"1040581"	91.509976	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2H"	2.014552
"210672"	121.677542666667	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+3H"	3.021828
"645005"	182.012676	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+3H"	3.021828
"1168358"	61.3424093333333	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+3H"	3.021828
"429441"	380.044623	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+NH4"	18.033823
"785977"	561.050023	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+NH4"	18.033823
"1684582"	199.039223	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+NH4"	18.033823
"332861"	190.5259495	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+H+NH4"	19.041099
"726377"	281.0286495	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+H+NH4"	19.041099
"1492240"	100.0232495	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H+NH4"	19.041099
"405819"	385.000018	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+Na"	22.989218
"764261"	566.005418	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+Na"	22.989218
"1616735"	203.994618	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Na"	22.989218
"321305"	193.003647	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+H+Na"	23.996494
"713728"	283.506347	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+H+Na"	23.996494
"1474839"	102.500947	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H+Na"	23.996494
"1065169"	68.6697233333333	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2H+Na"	25.00377
"1270856"	214.038886	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+CH3OH+H"	33.033486
"390527"	400.973958	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+K"	38.963158
"749699"	581.979358	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+K"	38.963158
"1551752"	219.968558	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+K"	38.963158
"307835"	200.990617	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+H+K"	39.970434
"701350"	291.493317	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+H+K"	39.970434
"1457355"	110.487917	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H+K"	39.970434
"248874"	404.044626	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+ACN+H"	42.033826
"1223039"	223.039226	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+ACN+H"	42.033826
"1206927"	112.023251	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+ACN+2H"	43.041102
"197610"	406.98196	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+2Na-H"	44.97116
"632793"	587.98736	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+2Na-H"	44.97116
"1136301"	225.97656	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2Na-H"	44.97116
"173756"	203.994618	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+2Na"	45.978436
"613062"	294.497318	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+2Na"	45.978436
"1116092"	113.491918	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2Na"	45.978436
"1400347"	75.9970373333333	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H+2Na"	46.985712
"1433559"	228.018146	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H+HCOOH"	47.012746
"220047"	209.02764	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+3H2O+2H"	56.04448
"1510953"	242.07019	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+IsoProp+H"	61.06479
"411733"	211.981588	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+Na+K"	61.952376
"778930"	302.484288	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+Na+K"	61.952376
"1668336"	121.478888	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Na+K"	61.952376
"258501"	426.026568	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+ACN+Na"	64.015768
"1234491"	245.021168	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+ACN+Na"	64.015768
"1720099"	245.044693	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+NH4+HCOOH"	64.039293
"1182535"	83.3243513333333	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+3Na"	68.967654
"1656441"	250.000088	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Na+HCOOH"	68.994688
"160021"	438.92984	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+2K-H"	76.91904
"600673"	619.93524	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+2K-H"	76.91904
"1084370"	257.92444	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2K-H"	76.91904
"142123"	219.968558	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"2M+2K"	77.926316
"581599"	310.471258	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"3M+2K"	77.926316
"1069357"	129.465858	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2K"	77.926316
"1100048"	259.938992	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2K+H"	78.933592
"1336030"	260.026607	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+DMSO+H"	79.021207
"1005679"	264.065776	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2ACN+H"	83.060376
"1524213"	265.059408	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+IsoProp+Na+H"	84.054008
"990599"	132.536526	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+2ACN+2H"	84.067652
"1588750"	265.974028	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+K+HCOOH"	84.968628
"1415866"	296.005538	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+H+CF3COOH"	115.000138
"1154540"	153.049801	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+3ACN+2H"	125.094202
"1708464"	313.032085	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+NH4+CF3COOH"	132.026685
"1640834"	317.98748	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+Na+CF3COOH"	136.98208
"1573203"	333.96142	"C11473"	"Thiocyclam;Evisect"	"C5H11NS3"	"181.0054"	"M+K+CF3COOH"	152.95602
"807945"	149.0333	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M"	0
"978196"	130.01491	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-H2O-H"	-19.01839
"76279"	98.3482573333333	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M-3H"	-3.021828
"511467"	148.026024	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M-3H"	-3.021828
"889268"	48.6704906666667	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-3H"	-3.021828
"10033"	148.026024	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M-2H"	-2.014552
"447405"	222.542674	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M-2H"	-2.014552
"818646"	73.509374	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-2H"	-2.014552
"79732"	297.059324	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M-H"	-1.007276
"520388"	446.092624	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M-H"	-1.007276
"904751"	148.026024	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-H"	-1.007276
"61812"	314.085871	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M-2H+NH4"	16.019271
"499547"	463.119171	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M-2H+NH4"	16.019271
"865320"	165.052571	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-2H+NH4"	16.019271
"33831"	319.041266	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M-2H+Na"	20.974666
"478495"	468.074566	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M-2H+Na"	20.974666
"855202"	170.007966	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-2H+Na"	20.974666
"1629109"	170.007966	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Na-2H"	20.974666
"100171"	166.014363	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M-H+Cl"	33.962126
"540823"	240.531013	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M-H+Cl"	33.962126
"938714"	91.497713	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-H+Cl"	33.962126
"279458"	333.036002	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+Cl"	34.969402
"672490"	482.069302	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+Cl"	34.969402
"1283923"	184.002702	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Cl"	34.969402
"29514"	335.015206	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M-2H+K"	36.948606
"467498"	484.048506	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M-2H+K"	36.948606
"843113"	185.981906	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-2H+K"	36.948606
"1566598"	185.981906	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+K-2H"	36.948606
"954479"	194.031494	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-H+HCOOH"	44.998194
"373424"	343.064801	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+HCOOH-H"	44.998201
"356577"	357.080451	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+Hac-H"	59.013851
"1497755"	208.047151	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Hac-H"	59.013851
"961285"	216.013451	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-H+NaCOOH"	66.980151
"116394"	184.002702	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+2Cl"	69.938804
"554491"	258.519352	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+2Cl"	69.938804
"1033507"	109.486052	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2Cl"	69.938804
"1253085"	227.952185	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Br"	78.918885
"1313343"	230.008172	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Cl+HCOOH"	80.974872
"1323552"	251.990129	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Cl+NaCOOH"	102.956829
"915338"	262.018886	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M-H+CF3COOH"	112.985586
"1294231"	297.995564	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Cl+CF3COOH"	148.962264
"1375674"	114.020624	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H-2H2O"	-35.012676
"1395357"	132.0306	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H-H2O"	-17.0027
"293950"	299.073876	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+H"	1.007276
"681996"	448.107176	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+H"	1.007276
"1352999"	150.040576	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H"	1.007276
"129047"	150.040576	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+2H"	2.014552
"570795"	224.557226	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+2H"	2.014552
"1041788"	75.523926	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2H"	2.014552
"210781"	100.362809333333	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+3H"	3.021828
"653622"	150.040576	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+3H"	3.021828
"1167376"	50.6850426666667	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+3H"	3.021828
"429555"	316.100423	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+NH4"	18.033823
"786536"	465.133723	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+NH4"	18.033823
"1686879"	167.067123	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+NH4"	18.033823
"332971"	158.5538495	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+H+NH4"	19.041099
"726487"	233.0704995	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+H+NH4"	19.041099
"1491988"	84.0371995	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H+NH4"	19.041099
"403376"	321.055818	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+Na"	22.989218
"766558"	470.089118	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+Na"	22.989218
"1612471"	172.022518	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Na"	22.989218
"326517"	161.031547	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+H+Na"	23.996494
"717846"	235.548197	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+H+Na"	23.996494
"1473854"	86.514897	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H+Na"	23.996494
"1064184"	58.0123566666667	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2H+Na"	25.00377
"1269137"	182.066786	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+CH3OH+H"	33.033486
"386628"	337.029758	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+K"	38.963158
"747618"	486.063058	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+K"	38.963158
"1551862"	187.996458	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+K"	38.963158
"309038"	169.018517	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+H+K"	39.970434
"702553"	243.535167	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+H+K"	39.970434
"1458559"	94.501867	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H+K"	39.970434
"248254"	340.100426	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+ACN+H"	42.033826
"1220964"	191.067126	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+ACN+H"	42.033826
"1207524"	96.037201	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+ACN+2H"	43.041102
"198814"	343.03776	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+2Na-H"	44.97116
"633633"	492.07106	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+2Na-H"	44.97116
"1135316"	194.00446	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2Na-H"	44.97116
"177148"	172.022518	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+2Na"	45.978436
"613177"	246.539168	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+2Na"	45.978436
"1119485"	97.505868	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2Na"	45.978436
"1399728"	65.3396706666667	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H+2Na"	46.985712
"1432209"	196.046046	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H+HCOOH"	47.012746
"220436"	177.05554	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+3H2O+2H"	56.04448
"1508639"	210.09809	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+IsoProp+H"	61.06479
"409170"	180.009488	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+Na+K"	61.952376
"771015"	254.526138	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+Na+K"	61.952376
"1665974"	105.492838	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Na+K"	61.952376
"252413"	362.082368	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+ACN+Na"	64.015768
"1225728"	213.049068	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+ACN+Na"	64.015768
"1720206"	213.072593	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+NH4+HCOOH"	64.039293
"1183375"	72.6669846666667	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+3Na"	68.967654
"1651080"	218.027988	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Na+HCOOH"	68.994688
"157196"	374.98564	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+2K-H"	76.91904
"597261"	524.01894	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+2K-H"	76.91904
"1084270"	225.95234	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2K-H"	76.91904
"142110"	187.996458	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"2M+2K"	77.926316
"581633"	262.513108	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"3M+2K"	77.926316
"1068571"	113.479808	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2K"	77.926316
"1100037"	227.966892	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2K+H"	78.933592
"1336376"	228.054507	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+DMSO+H"	79.021207
"1006378"	232.093676	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2ACN+H"	83.060376
"1524745"	233.087308	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+IsoProp+Na+H"	84.054008
"990123"	116.550476	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+2ACN+2H"	84.067652
"1589950"	234.001928	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+K+HCOOH"	84.968628
"1416340"	264.033438	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+H+CF3COOH"	115.000138
"1149544"	137.063751	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+3ACN+2H"	125.094202
"1705294"	281.059985	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+NH4+CF3COOH"	132.026685
"1635476"	286.01538	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+Na+CF3COOH"	136.98208
"1573313"	301.98932	"C11474"	"Nereistoxin;NTX"	"C5H11NS2"	"149.0333"	"M+K+CF3COOH"	152.95602
"804775"	150.0528	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M"	0
"975147"	131.03441	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"64360"	99.027924	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507202"	149.045524	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"882818"	49.010324	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"6863"	149.045524	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"442048"	224.071924	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"822041"	74.019124	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"87501"	299.098324	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"529249"	449.151124	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"909981"	149.045524	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"62171"	316.124871	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"489332"	466.177671	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"867497"	166.072071	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"37222"	321.080266	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"485044"	471.133066	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"859686"	171.027466	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1630313"	171.027466	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"106842"	167.033863	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"546409"	242.060263	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"940650"	92.007463	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"281763"	335.075002	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"674426"	485.127802	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1286949"	185.022202	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"30233"	337.054206	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"470521"	487.107006	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"846138"	187.001406	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1567437"	187.001406	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"953496"	195.050994	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"373533"	345.103801	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"354501"	359.119451	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1496774"	209.066651	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"964318"	217.032951	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"116505"	185.022202	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"560079"	260.048602	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1029243"	109.995802	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1253196"	228.971685	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1317828"	231.027672	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1330950"	253.009629	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"915449"	263.038386	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1299809"	299.015064	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1381250"	115.040124	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1395466"	133.0501	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"292965"	301.112876	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"679191"	451.165676	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1355176"	151.060076	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"128066"	151.060076	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"572005"	226.086476	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1042992"	76.033676	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"209799"	101.042476	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"652642"	151.060076	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1171857"	51.024876	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"426383"	318.139423	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"790662"	468.192223	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1685896"	168.086623	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"331987"	159.5733495	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"737915"	234.5997495	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1491001"	84.5469495	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"405669"	323.094818	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"767761"	473.147618	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1611488"	173.042018	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"328813"	162.051047	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"718317"	237.077447	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1475422"	87.024647	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1066843"	58.35219	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1271562"	183.086286	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"390012"	339.068758	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"749915"	489.121558	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1548686"	189.015958	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"308051"	170.038017	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"701566"	245.064417	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1454293"	95.011617	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"242894"	342.139426	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1216696"	192.086626	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1203867"	96.546951	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"201111"	345.07676	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"634109"	495.12956	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1134333"	195.02396	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"176166"	173.042018	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"613172"	248.068418	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1116190"	98.015618	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1398985"	65.679504	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1430236"	197.065546	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"220182"	178.07504	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1509102"	211.11759	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"408913"	181.028988	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"772222"	256.055388	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1669648"	106.002588	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"252157"	364.121368	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1226323"	214.068568	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1719225"	214.092093	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1181663"	73.006818	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1655568"	219.047488	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"159510"	377.02464	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"597174"	527.07744	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1085768"	226.97184	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"142950"	189.015958	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"581731"	264.042358	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1068518"	113.989558	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1099954"	228.986392	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1336741"	229.074007	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1006364"	233.113176	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1525832"	234.106808	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"991913"	117.060226	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1590063"	235.021428	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1416815"	265.052938	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1152573"	137.573501	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1704310"	282.079485	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1643242"	287.03488	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1575612"	303.00882	"C11476"	"L-Arabinose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"804887"	138.0681	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M"	0
"987169"	119.04971	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-H2O-H"	-19.01839
"71037"	91.038124	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M-3H"	-3.021828
"514974"	137.060824	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M-3H"	-3.021828
"884027"	45.015424	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-3H"	-3.021828
"13543"	137.060824	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M-2H"	-2.014552
"448728"	206.094874	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M-2H"	-2.014552
"829693"	68.026774	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-2H"	-2.014552
"93333"	275.128924	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M-H"	-1.007276
"532285"	413.197024	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M-H"	-1.007276
"902798"	137.060824	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-H"	-1.007276
"49882"	292.155471	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M-2H+NH4"	16.019271
"489078"	430.223571	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M-2H+NH4"	16.019271
"876721"	154.087371	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-2H+NH4"	16.019271
"42434"	297.110866	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M-2H+Na"	20.974666
"483091"	435.178966	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M-2H+Na"	20.974666
"855428"	159.042766	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-2H+Na"	20.974666
"1624231"	159.042766	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Na-2H"	20.974666
"103676"	155.049163	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M-H+Cl"	33.962126
"547612"	224.083213	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M-H+Cl"	33.962126
"940032"	86.015113	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-H+Cl"	33.962126
"280654"	311.105602	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+Cl"	34.969402
"674168"	449.173702	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+Cl"	34.969402
"1279038"	173.037502	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Cl"	34.969402
"22688"	313.084806	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M-2H+K"	36.948606
"466621"	451.152906	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M-2H+K"	36.948606
"844423"	175.016706	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-2H+K"	36.948606
"1569733"	175.016706	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+K-2H"	36.948606
"949233"	183.066294	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-H+HCOOH"	44.998194
"366358"	321.134401	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+HCOOH-H"	44.998201
"354619"	335.150051	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+Hac-H"	59.013851
"1502357"	197.081951	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Hac-H"	59.013851
"965525"	205.048251	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-H+NaCOOH"	66.980151
"118806"	173.037502	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+2Cl"	69.938804
"558366"	242.071552	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+2Cl"	69.938804
"1031540"	104.003452	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2Cl"	69.938804
"1250024"	216.986985	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Br"	78.918885
"1316845"	219.042972	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Cl+HCOOH"	80.974872
"1329971"	241.024929	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Cl+NaCOOH"	102.956829
"918842"	251.053686	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M-H+CF3COOH"	112.985586
"1296643"	287.030364	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Cl+CF3COOH"	148.962264
"1368243"	103.055424	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H-2H2O"	-35.012676
"1383553"	121.0654	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H-H2O"	-17.0027
"284333"	277.143476	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+H"	1.007276
"685504"	415.211576	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+H"	1.007276
"1362950"	139.075376	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H"	1.007276
"133652"	139.075376	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+2H"	2.014552
"572118"	208.109426	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+2H"	2.014552
"1040917"	70.041326	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2H"	2.014552
"211002"	93.052676	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+3H"	3.021828
"647647"	139.075376	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+3H"	3.021828
"1167594"	47.029976	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+3H"	3.021828
"426492"	294.170023	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+NH4"	18.033823
"789679"	432.238123	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+NH4"	18.033823
"1693670"	156.101923	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+NH4"	18.033823
"344141"	147.5886495	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+H+NH4"	19.041099
"737944"	216.6226995	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+H+NH4"	19.041099
"1490384"	78.5545995	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H+NH4"	19.041099
"405420"	299.125418	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+Na"	22.989218
"764591"	437.193518	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+Na"	22.989218
"1615970"	161.057318	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Na"	22.989218
"327099"	150.066347	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+H+Na"	23.996494
"718427"	219.100397	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+H+Na"	23.996494
"1475168"	81.032297	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H+Na"	23.996494
"1063311"	54.35729	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2H+Na"	25.00377
"1267173"	171.101586	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+CH3OH+H"	33.033486
"388666"	315.099358	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+K"	38.963158
"746748"	453.167458	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+K"	38.963158
"1548801"	177.031258	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+K"	38.963158
"301967"	158.053317	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+H+K"	39.970434
"699493"	227.087367	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+H+K"	39.970434
"1452219"	89.019267	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H+K"	39.970434
"238269"	318.170026	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+ACN+H"	42.033826
"1215718"	180.101926	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+ACN+H"	42.033826
"1197413"	90.554601	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+ACN+2H"	43.041102
"189917"	321.10736	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+2Na-H"	44.97116
"629113"	459.17546	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+2Na-H"	44.97116
"1132981"	183.03926	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2Na-H"	44.97116
"173474"	161.057318	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+2Na"	45.978436
"613641"	230.091368	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+2Na"	45.978436
"1117029"	92.023268	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2Na"	45.978436
"1399333"	61.684604	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H+2Na"	46.985712
"1431083"	185.080846	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H+HCOOH"	47.012746
"221026"	166.09034	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+3H2O+2H"	56.04448
"1509335"	199.13289	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+IsoProp+H"	61.06479
"409388"	169.044288	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+Na+K"	61.952376
"771602"	238.078338	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+Na+K"	61.952376
"1665864"	100.010238	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Na+K"	61.952376
"254822"	340.151968	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+ACN+Na"	64.015768
"1231906"	202.083868	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+ACN+Na"	64.015768
"1718240"	202.107393	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+NH4+HCOOH"	64.039293
"1179584"	69.011918	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+3Na"	68.967654
"1650245"	207.062788	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Na+HCOOH"	68.994688
"163631"	353.05524	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+2K-H"	76.91904
"597119"	491.12334	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+2K-H"	76.91904
"1087340"	214.98714	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2K-H"	76.91904
"141598"	177.031258	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"2M+2K"	77.926316
"581690"	246.065308	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"3M+2K"	77.926316
"1070416"	107.997208	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2K"	77.926316
"1100090"	217.001692	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2K+H"	78.933592
"1337460"	217.089307	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+DMSO+H"	79.021207
"1007205"	221.128476	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2ACN+H"	83.060376
"1524167"	222.122108	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+IsoProp+Na+H"	84.054008
"990806"	111.067876	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+2ACN+2H"	84.067652
"1589079"	223.036728	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+K+HCOOH"	84.968628
"1416197"	253.068238	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+H+CF3COOH"	115.000138
"1147214"	131.581151	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+3ACN+2H"	125.094202
"1708797"	270.094785	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+NH4+CF3COOH"	132.026685
"1640074"	275.05018	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+Na+CF3COOH"	136.98208
"1584472"	291.02412	"C11480"	"2-Methyl-6-oxohepta-24-dienal"	"C8H10O2"	"138.0681"	"M+K+CF3COOH"	152.95602
"804997"	80.9646	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M"	0
"988008"	61.94621	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-H2O-H"	-19.01839
"71147"	52.969124	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M-3H"	-3.021828
"516177"	79.957324	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M-3H"	-3.021828
"886323"	25.980924	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-3H"	-3.021828
"12559"	79.957324	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M-2H"	-2.014552
"451024"	120.439624	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M-2H"	-2.014552
"831504"	39.475024	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-2H"	-2.014552
"92226"	160.921924	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M-H"	-1.007276
"532517"	241.886524	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M-H"	-1.007276
"906189"	79.957324	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-H"	-1.007276
"61537"	177.948471	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M-2H+NH4"	16.019271
"495751"	258.913071	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M-2H+NH4"	16.019271
"876831"	96.983871	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-2H+NH4"	16.019271
"39263"	182.903866	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M-2H+Na"	20.974666
"485996"	263.868466	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M-2H+Na"	20.974666
"856631"	101.939266	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-2H+Na"	20.974666
"1630537"	101.939266	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Na-2H"	20.974666
"108768"	97.945663	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M-H+Cl"	33.962126
"546630"	138.427963	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M-H+Cl"	33.962126
"937956"	57.463363	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-H+Cl"	33.962126
"281857"	196.898602	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+Cl"	34.969402
"674278"	277.863202	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+Cl"	34.969402
"1279148"	115.934002	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Cl"	34.969402
"23890"	198.877806	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M-2H+K"	36.948606
"462357"	279.842406	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M-2H+K"	36.948606
"839065"	117.913206	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-2H+K"	36.948606
"1565832"	117.913206	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+K-2H"	36.948606
"950433"	125.962794	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-H+HCOOH"	44.998194
"365374"	206.927401	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+HCOOH-H"	44.998201
"355821"	220.943051	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+Hac-H"	59.013851
"1502466"	139.978451	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Hac-H"	59.013851
"964540"	147.944751	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-H+NaCOOH"	66.980151
"121103"	115.934002	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+2Cl"	69.938804
"560663"	156.416302	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+2Cl"	69.938804
"1032744"	75.451702	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2Cl"	69.938804
"1249041"	159.883485	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Br"	78.918885
"1316591"	161.939472	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Cl+HCOOH"	80.974872
"1332268"	183.921429	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Cl+NaCOOH"	102.956829
"918952"	193.950186	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M-H+CF3COOH"	112.985586
"1296753"	229.926864	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Cl+CF3COOH"	148.962264
"1367742"	45.951924	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H-2H2O"	-35.012676
"1383417"	63.9619	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H-H2O"	-17.0027
"284564"	162.936476	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+H"	1.007276
"685614"	243.901076	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+H"	1.007276
"1363060"	81.971876	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H"	1.007276
"135950"	81.971876	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+2H"	2.014552
"575509"	122.454176	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+2H"	2.014552
"1044308"	41.489576	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2H"	2.014552
"211114"	54.983676	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+3H"	3.021828
"648121"	81.971876	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+3H"	3.021828
"1167704"	27.995476	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+3H"	3.021828
"427695"	179.963023	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+NH4"	18.033823
"790881"	260.927623	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+NH4"	18.033823
"1694145"	98.998423	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+NH4"	18.033823
"344252"	90.4851495	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+H+NH4"	19.041099
"734120"	130.9674495	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+H+NH4"	19.041099
"1488305"	50.0028495	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H+NH4"	19.041099
"403704"	184.918418	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+Na"	22.989218
"767983"	265.883018	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+Na"	22.989218
"1613892"	103.953818	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Na"	22.989218
"322835"	92.962847	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+H+Na"	23.996494
"714162"	133.445147	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+H+Na"	23.996494
"1472358"	52.480547	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H+Na"	23.996494
"1066700"	35.32279	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2H+Na"	25.00377
"1265096"	113.998086	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+CH3OH+H"	33.033486
"389505"	200.892358	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+K"	38.963158
"746857"	281.856958	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+K"	38.963158
"1551827"	119.927758	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+K"	38.963158
"303534"	100.949817	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+H+K"	39.970434
"700697"	141.432117	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+H+K"	39.970434
"1455610"	60.467517	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H+K"	39.970434
"236919"	203.963026	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+ACN+H"	42.033826
"1212549"	122.998426	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+ACN+H"	42.033826
"1195578"	62.002851	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+ACN+2H"	43.041102
"189294"	206.90036	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+2Na-H"	44.97116
"629016"	287.86496	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+2Na-H"	44.97116
"1131756"	125.93576	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2Na-H"	44.97116
"173947"	103.953818	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+2Na"	45.978436
"613387"	144.436118	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+2Na"	45.978436
"1116411"	63.471518	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2Na"	45.978436
"1399687"	42.650104	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H+2Na"	46.985712
"1431076"	127.977346	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H+HCOOH"	47.012746
"221986"	108.98684	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+3H2O+2H"	56.04448
"1509074"	142.02939	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+IsoProp+H"	61.06479
"409003"	111.940788	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+Na+K"	61.952376
"770368"	152.423088	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+Na+K"	61.952376
"1665847"	71.458488	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Na+K"	61.952376
"253472"	225.944968	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+ACN+Na"	64.015768
"1228734"	144.980368	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+ACN+Na"	64.015768
"1717986"	145.003893	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+NH4+HCOOH"	64.039293
"1179330"	49.977418	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+3Na"	68.967654
"1650308"	149.959288	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Na+HCOOH"	68.994688
"160460"	238.84824	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+2K-H"	76.91904
"600386"	319.81284	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+2K-H"	76.91904
"1087815"	157.88364	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2K-H"	76.91904
"142440"	119.927758	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"2M+2K"	77.926316
"582003"	160.410058	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"3M+2K"	77.926316
"1073079"	79.445458	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2K"	77.926316
"1100451"	159.898192	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2K+H"	78.933592
"1337691"	159.985807	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+DMSO+H"	79.021207
"1006459"	164.024976	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2ACN+H"	83.060376
"1524582"	165.018608	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+IsoProp+Na+H"	84.054008
"990794"	82.516126	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+2ACN+2H"	84.067652
"1591375"	165.933228	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+K+HCOOH"	84.968628
"1415943"	195.964738	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+H+CF3COOH"	115.000138
"1147325"	103.029401	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+3ACN+2H"	125.094202
"1702346"	212.991285	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+NH4+CF3COOH"	132.026685
"1641277"	217.94668	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+Na+CF3COOH"	136.98208
"1584582"	233.92062	"C11481"	"HSO3-;Hydrogen sulfite;Bisulfite"	"HSO3"	"80.9646"	"M+K+CF3COOH"	152.95602
"814952"	325.179	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M"	0
"988485"	306.16061	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-H2O-H"	-19.01839
"77825"	215.778724	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M-3H"	-3.021828
"517382"	324.171724	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M-3H"	-3.021828
"893002"	107.385724	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-3H"	-3.021828
"12669"	324.171724	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M-2H"	-2.014552
"453690"	486.761224	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M-2H"	-2.014552
"826757"	161.582224	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-2H"	-2.014552
"92946"	649.350724	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M-H"	-1.007276
"522664"	974.529724	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M-H"	-1.007276
"900832"	324.171724	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-H"	-1.007276
"51923"	666.377271	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M-2H+NH4"	16.019271
"494765"	991.556271	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M-2H+NH4"	16.019271
"870746"	341.198271	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-2H+NH4"	16.019271
"36458"	671.332666	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M-2H+Na"	20.974666
"478937"	996.511666	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M-2H+Na"	20.974666
"856740"	346.153666	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-2H+Na"	20.974666
"1625180"	346.153666	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Na-2H"	20.974666
"107176"	342.160063	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M-H+Cl"	33.962126
"546738"	504.749563	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M-H+Cl"	33.962126
"938066"	179.570563	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-H+Cl"	33.962126
"279903"	685.327402	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+Cl"	34.969402
"669041"	1010.506402	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+Cl"	34.969402
"1276341"	360.148402	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Cl"	34.969402
"19992"	687.306606	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M-2H+K"	36.948606
"461373"	1012.485606	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M-2H+K"	36.948606
"834802"	362.127606	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-2H+K"	36.948606
"1561571"	362.127606	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+K-2H"	36.948606
"951642"	370.177194	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-H+HCOOH"	44.998194
"370954"	695.356201	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+HCOOH-H"	44.998201
"357025"	709.371851	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+Hac-H"	59.013851
"1498202"	384.192851	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Hac-H"	59.013851
"969024"	392.159151	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-H+NaCOOH"	66.980151
"122305"	360.148402	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+2Cl"	69.938804
"555308"	522.737902	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+2Cl"	69.938804
"1035040"	197.558902	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2Cl"	69.938804
"1253525"	404.097885	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Br"	78.918885
"1313787"	406.153872	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Cl+HCOOH"	80.974872
"1323629"	428.135829	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Cl+NaCOOH"	102.956829
"916875"	438.164586	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M-H+CF3COOH"	112.985586
"1293584"	474.141264	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Cl+CF3COOH"	148.962264
"1376120"	290.166324	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H-2H2O"	-35.012676
"1397748"	308.1763	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H-H2O"	-17.0027
"293304"	651.365276	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+H"	1.007276
"686823"	976.544276	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+H"	1.007276
"1366087"	326.186276	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H"	1.007276
"132778"	326.186276	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+2H"	2.014552
"569419"	488.775776	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+2H"	2.014552
"1041134"	163.596776	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2H"	2.014552
"207217"	217.793276	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+3H"	3.021828
"647868"	326.186276	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+3H"	3.021828
"1167816"	109.400276	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+3H"	3.021828
"427807"	668.391823	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+NH4"	18.033823
"789898"	993.570823	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+NH4"	18.033823
"1695716"	343.212823	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+NH4"	18.033823
"345133"	334.6995495	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+H+NH4"	19.041099
"734597"	497.2890495	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+H+NH4"	19.041099
"1490239"	172.1100495	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H+NH4"	19.041099
"406004"	673.347218	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+Na"	22.989218
"764812"	998.526218	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+Na"	22.989218
"1615097"	348.168218	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Na"	22.989218
"322946"	337.177247	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+H+Na"	23.996494
"719376"	499.766747	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+H+Na"	23.996494
"1472471"	174.587747	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H+Na"	23.996494
"1064622"	116.72759	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2H+Na"	25.00377
"1270676"	358.212486	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+CH3OH+H"	33.033486
"387060"	689.321158	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+K"	38.963158
"740161"	1014.500158	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+K"	38.963158
"1542823"	364.142158	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+K"	38.963158
"300728"	345.164217	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+H+K"	39.970434
"694974"	507.753717	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+H+K"	39.970434
"1446970"	182.574717	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H+K"	39.970434
"241041"	692.391826	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+ACN+H"	42.033826
"1215209"	367.212826	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+ACN+H"	42.033826
"1195565"	184.110051	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+ACN+2H"	43.041102
"189166"	695.32916	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+2Na-H"	44.97116
"628639"	1020.50816	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+2Na-H"	44.97116
"1132108"	370.15016	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2Na-H"	44.97116
"175769"	348.168218	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+2Na"	45.978436
"613743"	510.757718	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+2Na"	45.978436
"1117003"	185.578718	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2Na"	45.978436
"1401258"	124.054904	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H+2Na"	46.985712
"1431551"	372.191746	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H+HCOOH"	47.012746
"220514"	353.20124	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+3H2O+2H"	56.04448
"1508822"	386.24379	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+IsoProp+H"	61.06479
"409359"	356.155188	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+Na+K"	61.952376
"770356"	518.744688	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+Na+K"	61.952376
"1665953"	193.565688	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Na+K"	61.952376
"255040"	714.373768	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+ACN+Na"	64.015768
"1226656"	389.194768	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+ACN+Na"	64.015768
"1720650"	389.218293	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+NH4+HCOOH"	64.039293
"1179926"	131.382218	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+3Na"	68.967654
"1654074"	394.173688	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Na+HCOOH"	68.994688
"159719"	727.27704	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+2K-H"	76.91904
"600253"	1052.45604	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+2K-H"	76.91904
"1084883"	402.09804	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2K-H"	76.91904
"141860"	364.142158	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"2M+2K"	77.926316
"582470"	526.731658	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"3M+2K"	77.926316
"1069654"	201.552658	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2K"	77.926316
"1100554"	404.112592	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2K+H"	78.933592
"1336095"	404.200207	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+DMSO+H"	79.021207
"1006205"	408.239376	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2ACN+H"	83.060376
"1524938"	409.233008	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+IsoProp+Na+H"	84.054008
"990170"	204.623326	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+2ACN+2H"	84.067652
"1587347"	410.147628	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+K+HCOOH"	84.968628
"1414466"	440.179138	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+H+CF3COOH"	115.000138
"1148523"	225.136601	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+3ACN+2H"	125.094202
"1698077"	457.205685	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+NH4+CF3COOH"	132.026685
"1639198"	462.16108	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+Na+CF3COOH"	136.98208
"1578132"	478.13502	"C11483"	"MEGA"	"C19H23N3O2"	"325.179"	"M+K+CF3COOH"	152.95602
"815062"	297.1477	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M"	0
"988232"	278.12931	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M-H2O-H"	-19.01839
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"48026"	610.314671	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M-2H+NH4"	16.019271
"490501"	907.462371	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M-2H+NH4"	16.019271
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"35840"	615.270066	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M-2H+Na"	20.974666
"482328"	912.417766	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M-2H+Na"	20.974666
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"545754"	462.702613	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M-H+Cl"	33.962126
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"949566"	342.145894	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M-H+HCOOH"	44.998194
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"1504510"	356.161551	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+Hac-H"	59.013851
"966947"	364.127851	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M-H+NaCOOH"	66.980151
"120229"	332.117102	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M+2Cl"	69.938804
"557605"	480.690952	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M+2Cl"	69.938804
"1028590"	183.543252	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+2Cl"	69.938804
"1248168"	376.066585	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+Br"	78.918885
"1309523"	378.122572	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+Cl+HCOOH"	80.974872
"1320458"	400.104529	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+Cl+NaCOOH"	102.956829
"914069"	410.133286	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M-H+CF3COOH"	112.985586
"1293694"	446.109964	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+Cl+CF3COOH"	148.962264
"1369670"	262.135024	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+H-2H2O"	-35.012676
"1394820"	280.145	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+H-H2O"	-17.0027
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"689850"	892.450376	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M+H"	1.007276
"1366686"	298.154976	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+H"	1.007276
"132889"	298.154976	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M+2H"	2.014552
"568074"	446.728826	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M+2H"	2.014552
"1043432"	149.581126	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+2H"	2.014552
"208056"	199.105742666667	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M+3H"	3.021828
"647614"	298.154976	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M+3H"	3.021828
"1169018"	100.056509333333	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+3H"	3.021828
"429011"	612.329223	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M+NH4"	18.033823
"787091"	909.476923	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M+NH4"	18.033823
"1695826"	315.181523	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+NH4"	18.033823
"344107"	306.6682495	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M+H+NH4"	19.041099
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"405022"	617.284618	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M+Na"	22.989218
"762736"	914.432318	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"3M+Na"	22.989218
"1610834"	320.136918	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"M+Na"	22.989218
"320869"	309.145947	"C11484"	"GA"	"C17H19N3O2"	"297.1477"	"2M+H+Na"	23.996494
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"811890"	240.1263	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M"	0
"987614"	221.10791	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M-H2O-H"	-19.01839
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"545865"	377.170513	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M-H+Cl"	33.962126
"938285"	137.044213	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M-H+Cl"	33.962126
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"458315"	757.327506	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M-2H+K"	36.948606
"844501"	277.074906	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M-2H+K"	36.948606
"1569447"	277.074906	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+K-2H"	36.948606
"951863"	285.124494	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M-H+HCOOH"	44.998194
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"358338"	539.266451	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+Hac-H"	59.013851
"1504620"	299.140151	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Hac-H"	59.013851
"969610"	307.106451	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M-H+NaCOOH"	66.980151
"121433"	275.095702	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+2Cl"	69.938804
"562088"	395.158852	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+2Cl"	69.938804
"1035990"	155.032552	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2Cl"	69.938804
"1255813"	319.045185	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Br"	78.918885
"1316194"	321.101172	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Cl+HCOOH"	80.974872
"1324943"	343.083129	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Cl+NaCOOH"	102.956829
"917095"	353.111886	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M-H+CF3COOH"	112.985586
"1293804"	389.088564	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Cl+CF3COOH"	148.962264
"1373060"	205.113624	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H-2H2O"	-35.012676
"1392743"	223.1236	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H-H2O"	-17.0027
"292432"	481.259876	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+H"	1.007276
"691061"	721.386176	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+H"	1.007276
"1365581"	241.133576	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H"	1.007276
"138467"	241.133576	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+2H"	2.014552
"576932"	361.196726	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+2H"	2.014552
"1042451"	121.070426	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2H"	2.014552
"208167"	161.091476	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+3H"	3.021828
"648820"	241.133576	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+3H"	3.021828
"1168038"	81.049376	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+3H"	3.021828
"429122"	498.286423	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+NH4"	18.033823
"789025"	738.412723	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+NH4"	18.033823
"1694114"	258.160123	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+NH4"	18.033823
"343492"	249.6468495	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+H+NH4"	19.041099
"729350"	369.7099995	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+H+NH4"	19.041099
"1483170"	129.5836995	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H+NH4"	19.041099
"404038"	503.241818	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+Na"	22.989218
"766126"	743.368118	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+Na"	22.989218
"1614224"	263.115518	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Na"	22.989218
"322073"	252.124547	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+H+Na"	23.996494
"719961"	372.187697	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+H+Na"	23.996494
"1469414"	132.061397	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H+Na"	23.996494
"1062658"	88.37669	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2H+Na"	25.00377
"1264337"	273.159786	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+CH3OH+H"	33.033486
"387284"	519.215758	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+K"	38.963158
"743909"	759.342058	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+K"	38.963158
"1545961"	279.089458	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+K"	38.963158
"304958"	260.111517	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+H+K"	39.970434
"696654"	380.174667	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+H+K"	39.970434
"1448286"	140.048367	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H+K"	39.970434
"243448"	522.286426	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+ACN+H"	42.033826
"1213607"	282.160126	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+ACN+H"	42.033826
"1195056"	141.583701	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+ACN+2H"	43.041102
"190480"	525.22376	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+2Na-H"	44.97116
"631013"	765.35006	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+2Na-H"	44.97116
"1132695"	285.09746	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2Na-H"	44.97116
"174161"	263.115518	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+2Na"	45.978436
"619198"	383.178668	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+2Na"	45.978436
"1117964"	143.052368	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2Na"	45.978436
"1402574"	95.704004	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H+2Na"	46.985712
"1433597"	287.139046	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H+HCOOH"	47.012746
"221952"	268.14854	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+3H2O+2H"	56.04448
"1510988"	301.19109	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+IsoProp+H"	61.06479
"411402"	271.102488	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+Na+K"	61.952376
"770580"	391.165638	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+Na+K"	61.952376
"1667281"	151.039338	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Na+K"	61.952376
"252218"	544.268368	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+ACN+Na"	64.015768
"1225977"	304.142068	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+ACN+Na"	64.015768
"1713082"	304.165593	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+NH4+HCOOH"	64.039293
"1178801"	103.031318	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+3Na"	68.967654
"1649880"	309.120988	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Na+HCOOH"	68.994688
"157201"	557.17164	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+2K-H"	76.91904
"597552"	797.29794	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+2K-H"	76.91904
"1084619"	317.04534	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2K-H"	76.91904
"141679"	279.089458	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"2M+2K"	77.926316
"581471"	399.152608	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"3M+2K"	77.926316
"1068898"	159.026308	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2K"	77.926316
"1099931"	319.059892	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2K+H"	78.933592
"1339725"	319.147507	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+DMSO+H"	79.021207
"1008618"	323.186676	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2ACN+H"	83.060376
"1525407"	324.180308	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+IsoProp+Na+H"	84.054008
"990273"	162.096976	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+2ACN+2H"	84.067652
"1588422"	325.094928	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+K+HCOOH"	84.968628
"1415540"	355.126438	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+H+CF3COOH"	115.000138
"1147324"	182.610251	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+3ACN+2H"	125.094202
"1697444"	372.152985	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+NH4+CF3COOH"	132.026685
"1635045"	377.10838	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+Na+CF3COOH"	136.98208
"1578352"	393.08232	"C11485"	"LY201116;Ameltolide"	"C15H16N2O"	"240.1263"	"M+K+CF3COOH"	152.95602
"812000"	282.1368	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M"	0
"989182"	263.11841	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-H2O-H"	-19.01839
"72682"	187.083924	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M-3H"	-3.021828
"515529"	281.129524	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M-3H"	-3.021828
"891148"	93.038324	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-3H"	-3.021828
"13366"	281.129524	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M-2H"	-2.014552
"452199"	422.197924	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M-2H"	-2.014552
"829273"	140.061124	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-2H"	-2.014552
"83798"	563.266324	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M-H"	-1.007276
"521538"	845.403124	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M-H"	-1.007276
"896906"	281.129524	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-H"	-1.007276
"52620"	580.292871	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M-2H+NH4"	16.019271
"496189"	862.429671	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M-2H+NH4"	16.019271
"870346"	298.156071	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-2H+NH4"	16.019271
"33508"	585.248266	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M-2H+Na"	20.974666
"478174"	867.385066	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M-2H+Na"	20.974666
"857070"	303.111466	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-2H+Na"	20.974666
"1627696"	303.111466	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Na-2H"	20.974666
"102040"	299.117863	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M-H+Cl"	33.962126
"545974"	440.186263	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M-H+Cl"	33.962126
"934021"	158.049463	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-H+Cl"	33.962126
"275859"	599.243002	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+Cl"	34.969402
"668278"	881.379802	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+Cl"	34.969402
"1281775"	317.106202	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Cl"	34.969402
"23239"	601.222206	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M-2H+K"	36.948606
"458425"	883.359006	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M-2H+K"	36.948606
"841695"	319.085406	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-2H+K"	36.948606
"1566277"	319.085406	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+K-2H"	36.948606
"949786"	327.134994	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-H+HCOOH"	44.998194
"375418"	609.271801	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+HCOOH-H"	44.998201
"358086"	623.287451	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+Hac-H"	59.013851
"1503637"	341.150651	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Hac-H"	59.013851
"970814"	349.116951	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-H+NaCOOH"	66.980151
"121543"	317.106202	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+2Cl"	69.938804
"560741"	458.174602	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+2Cl"	69.938804
"1035618"	176.037802	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2Cl"	69.938804
"1254950"	361.055685	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Br"	78.918885
"1314117"	363.111672	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Cl+HCOOH"	80.974872
"1327240"	385.093629	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Cl+NaCOOH"	102.956829
"919393"	395.122386	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M-H+CF3COOH"	112.985586
"1298289"	431.099064	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Cl+CF3COOH"	148.962264
"1376450"	247.124124	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H-2H2O"	-35.012676
"1392853"	265.1341	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H-H2O"	-17.0027
"295823"	565.280876	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+H"	1.007276
"690074"	847.417676	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+H"	1.007276
"1360225"	283.144076	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H"	1.007276
"135299"	283.144076	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+2H"	2.014552
"579234"	424.212476	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+2H"	2.014552
"1050218"	142.075676	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2H"	2.014552
"211557"	189.098476	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+3H"	3.021828
"648930"	283.144076	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+3H"	3.021828
"1171427"	95.052876	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+3H"	3.021828
"432510"	582.307423	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+NH4"	18.033823
"789498"	864.444223	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+NH4"	18.033823
"1695316"	300.170623	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+NH4"	18.033823
"344691"	291.6573495	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+H+NH4"	19.041099
"725449"	432.7257495	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+H+NH4"	19.041099
"1485465"	150.5889495	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H+NH4"	19.041099
"403783"	587.262818	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+Na"	22.989218
"761861"	869.399618	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+Na"	22.989218
"1614334"	305.126018	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Na"	22.989218
"319996"	294.135047	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+H+Na"	23.996494
"716791"	435.203447	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+H+Na"	23.996494
"1466242"	153.066647	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H+Na"	23.996494
"1059487"	102.38019	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2H+Na"	25.00377
"1264446"	315.170286	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+CH3OH+H"	33.033486
"385206"	603.236758	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+K"	38.963158
"745110"	885.373558	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+K"	38.963158
"1546436"	321.099958	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+K"	38.963158
"306891"	302.122017	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+H+K"	39.970434
"695670"	443.190417	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+H+K"	39.970434
"1446205"	161.053617	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H+K"	39.970434
"240278"	606.307426	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+ACN+H"	42.033826
"1211894"	324.170626	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+ACN+H"	42.033826
"1194675"	162.588951	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+ACN+2H"	43.041102
"190225"	609.24476	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+2Na-H"	44.97116
"634770"	891.38156	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+2Na-H"	44.97116
"1133166"	327.10796	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2Na-H"	44.97116
"174999"	305.126018	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+2Na"	45.978436
"616756"	446.194418	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+2Na"	45.978436
"1118802"	164.057618	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2Na"	45.978436
"1402684"	109.707504	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H+2Na"	46.985712
"1436988"	329.149546	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H+HCOOH"	47.012746
"226683"	310.15904	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+3H2O+2H"	56.04448
"1510004"	343.20159	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+IsoProp+H"	61.06479
"410783"	313.112988	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+Na+K"	61.952376
"772144"	454.181388	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+Na+K"	61.952376
"1667383"	172.044588	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Na+K"	61.952376
"252810"	628.289368	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+ACN+Na"	64.015768
"1226978"	346.152568	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+ACN+Na"	64.015768
"1713472"	346.176093	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+NH4+HCOOH"	64.039293
"1179154"	117.034818	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+3Na"	68.967654
"1650507"	351.131488	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Na+HCOOH"	68.994688
"157489"	641.19264	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+2K-H"	76.91904
"597167"	923.32944	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+2K-H"	76.91904
"1084851"	359.05584	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2K-H"	76.91904
"143979"	321.099958	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"2M+2K"	77.926316
"582201"	462.168358	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"3M+2K"	77.926316
"1068610"	180.031558	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2K"	77.926316
"1100527"	361.070392	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2K+H"	78.933592
"1339835"	361.158007	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+DMSO+H"	79.021207
"1012738"	365.197176	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2ACN+H"	83.060376
"1530865"	366.190808	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+IsoProp+Na+H"	84.054008
"994030"	183.102226	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+2ACN+2H"	84.067652
"1590719"	367.105428	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+K+HCOOH"	84.968628
"1415043"	397.136938	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+H+CF3COOH"	115.000138
"1147271"	203.615501	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+3ACN+2H"	125.094202
"1697435"	414.163485	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+NH4+CF3COOH"	132.026685
"1641716"	419.11888	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+Na+CF3COOH"	136.98208
"1578462"	435.09282	"C11486"	"NAC"	"C17H18N2O2"	"282.1368"	"M+K+CF3COOH"	152.95602
"816123"	163.0997	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M"	0
"988931"	144.08131	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-H2O-H"	-19.01839
"78240"	107.725857333333	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M-3H"	-3.021828
"512360"	162.092424	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M-3H"	-3.021828
"893442"	53.3592906666667	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-3H"	-3.021828
"14573"	162.092424	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M-2H"	-2.014552
"450490"	243.642274	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M-2H"	-2.014552
"828291"	80.542574	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-2H"	-2.014552
"82088"	325.192124	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M-H"	-1.007276
"520917"	488.291824	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M-H"	-1.007276
"897625"	162.092424	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-H"	-1.007276
"52001"	342.218671	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M-2H+NH4"	16.019271
"489374"	505.318371	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M-2H+NH4"	16.019271
"868270"	179.118971	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-2H+NH4"	16.019271
"35078"	347.174066	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M-2H+Na"	20.974666
"481567"	510.273766	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M-2H+Na"	20.974666
"860462"	184.074366	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-2H+Na"	20.974666
"1625623"	184.074366	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Na-2H"	20.974666
"98872"	180.080763	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M-H+Cl"	33.962126
"542806"	261.630613	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M-H+Cl"	33.962126
"939601"	98.530913	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-H+Cl"	33.962126
"277064"	361.168802	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+Cl"	34.969402
"669485"	524.268502	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+Cl"	34.969402
"1277514"	198.069102	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Cl"	34.969402
"26632"	363.148006	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M-2H+K"	36.948606
"467286"	526.247706	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M-2H+K"	36.948606
"845088"	200.048306	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-2H+K"	36.948606
"1569668"	200.048306	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+K-2H"	36.948606
"956096"	208.097894	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-H+HCOOH"	44.998194
"375771"	371.197601	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+HCOOH-H"	44.998201
"360996"	385.213251	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+Hac-H"	59.013851
"1506665"	222.113551	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Hac-H"	59.013851
"973602"	230.079851	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-H+NaCOOH"	66.980151
"125428"	198.069102	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+2Cl"	69.938804
"564135"	279.618952	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+2Cl"	69.938804
"1034390"	116.519252	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2Cl"	69.938804
"1257009"	242.018585	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Br"	78.918885
"1316417"	244.074572	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Cl+HCOOH"	80.974872
"1330634"	266.056529	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Cl+NaCOOH"	102.956829
"919503"	276.085286	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M-H+CF3COOH"	112.985586
"1303146"	312.061964	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Cl+CF3COOH"	148.962264
"1382160"	128.087024	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H-2H2O"	-35.012676
"1398074"	146.097	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H-H2O"	-17.0027
"297401"	327.206676	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+H"	1.007276
"689454"	490.306376	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+H"	1.007276
"1366538"	164.106976	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H"	1.007276
"139422"	164.106976	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+2H"	2.014552
"578614"	245.656826	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+2H"	2.014552
"1049966"	82.557126	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2H"	2.014552
"212764"	109.740409333333	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+3H"	3.021828
"655971"	164.106976	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+3H"	3.021828
"1169357"	55.3738426666667	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+3H"	3.021828
"434816"	344.233223	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+NH4"	18.033823
"801238"	507.332923	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+NH4"	18.033823
"1694337"	181.133523	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+NH4"	18.033823
"339336"	172.6202495	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+H+NH4"	19.041099
"733946"	254.1700995	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+H+NH4"	19.041099
"1481204"	91.0703995	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H+NH4"	19.041099
"402073"	349.188618	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+Na"	22.989218
"763068"	512.288318	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+Na"	22.989218
"1612260"	186.088918	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Na"	22.989218
"326670"	175.097947	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+H+Na"	23.996494
"716544"	256.647797	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+H+Na"	23.996494
"1470731"	93.548097	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H+Na"	23.996494
"1061787"	62.7011566666667	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2H+Na"	25.00377
"1265652"	196.133186	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+CH3OH+H"	33.033486
"385319"	365.162558	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+K"	38.963158
"749597"	528.262258	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+K"	38.963158
"1552379"	202.062858	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+K"	38.963158
"306642"	183.084917	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+H+K"	39.970434
"699064"	264.634767	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+H+K"	39.970434
"1451059"	101.535067	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H+K"	39.970434
"239295"	368.233226	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+ACN+H"	42.033826
"1216015"	205.133526	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+ACN+H"	42.033826
"1196251"	103.070401	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+ACN+2H"	43.041102
"196415"	371.17056	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+2Na-H"	44.97116
"633787"	534.27026	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+2Na-H"	44.97116
"1133277"	208.07086	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2Na-H"	44.97116
"176210"	186.088918	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+2Na"	45.978436
"614069"	267.638768	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+2Na"	45.978436
"1119269"	104.539068	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2Na"	45.978436
"1400609"	70.0284706666667	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H+2Na"	46.985712
"1431997"	210.112446	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H+HCOOH"	47.012746
"222420"	191.12194	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+3H2O+2H"	56.04448
"1510115"	224.16449	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+IsoProp+H"	61.06479
"411634"	194.075888	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+Na+K"	61.952376
"772260"	275.625738	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+Na+K"	61.952376
"1668957"	112.526038	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Na+K"	61.952376
"253658"	390.215168	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+ACN+Na"	64.015768
"1231474"	227.115468	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+ACN+Na"	64.015768
"1714161"	227.138993	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+NH4+HCOOH"	64.039293
"1182438"	77.3557846666667	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+3Na"	68.967654
"1651478"	232.094388	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Na+HCOOH"	68.994688
"158087"	403.11844	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+2K-H"	76.91904
"597206"	566.21814	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+2K-H"	76.91904
"1085041"	240.01874	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2K-H"	76.91904
"147369"	202.062858	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"2M+2K"	77.926316
"581506"	283.612708	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"3M+2K"	77.926316
"1069047"	120.513008	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2K"	77.926316
"1101003"	242.033292	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2K+H"	78.933592
"1335965"	242.120907	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+DMSO+H"	79.021207
"1006408"	246.160076	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2ACN+H"	83.060376
"1524897"	247.153708	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+IsoProp+Na+H"	84.054008
"991101"	123.583676	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+2ACN+2H"	84.067652
"1587671"	248.068328	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+K+HCOOH"	84.968628
"1417584"	278.099838	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+H+CF3COOH"	115.000138
"1147874"	144.096951	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+3ACN+2H"	125.094202
"1700707"	295.126385	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+NH4+CF3COOH"	132.026685
"1644013"	300.08178	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+Na+CF3COOH"	136.98208
"1578572"	316.05572	"C11487"	"EPA;N-Ethylphenylacetamide;N-Ethyl-2-phenylacetamide"	"C10H13NO"	"163.0997"	"M+K+CF3COOH"	152.95602
"815871"	89.0477	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M"	0
"987583"	70.02931	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-H2O-H"	-19.01839
"76184"	58.3578573333333	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M-3H"	-3.021828
"516480"	88.040424	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M-3H"	-3.021828
"894281"	28.6752906666667	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-3H"	-3.021828
"11032"	88.040424	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M-2H"	-2.014552
"453875"	132.564274	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M-2H"	-2.014552
"831679"	43.516574	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-2H"	-2.014552
"85117"	177.088124	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M-H"	-1.007276
"526863"	266.135824	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M-H"	-1.007276
"901383"	88.040424	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-H"	-1.007276
"59040"	194.114671	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M-2H+NH4"	16.019271
"498602"	283.162371	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M-2H+NH4"	16.019271
"879078"	105.066971	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-2H+NH4"	16.019271
"43209"	199.070066	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M-2H+Na"	20.974666
"482771"	288.117766	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M-2H+Na"	20.974666
"861666"	110.022366	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-2H+Na"	20.974666
"1629015"	110.022366	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Na-2H"	20.974666
"107729"	106.028763	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M-H+Cl"	33.962126
"545104"	150.552613	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M-H+Cl"	33.962126
"939711"	61.504913	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-H+Cl"	33.962126
"278268"	213.064802	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+Cl"	34.969402
"670690"	302.112502	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+Cl"	34.969402
"1283092"	124.017102	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Cl"	34.969402
"24555"	215.044006	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M-2H+K"	36.948606
"467396"	304.091706	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M-2H+K"	36.948606
"845198"	125.996306	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-2H+K"	36.948606
"1566498"	125.996306	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+K-2H"	36.948606
"955477"	134.045894	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-H+HCOOH"	44.998194
"374785"	223.093601	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+HCOOH-H"	44.998201
"360130"	237.109251	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+Hac-H"	59.013851
"1507505"	148.061551	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Hac-H"	59.013851
"974040"	156.027851	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-H+NaCOOH"	66.980151
"125643"	124.017102	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+2Cl"	69.938804
"564858"	168.540952	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+2Cl"	69.938804
"1036569"	79.493252	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2Cl"	69.938804
"1254807"	167.966585	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Br"	78.918885
"1314342"	170.022572	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Cl+HCOOH"	80.974872
"1330744"	192.004529	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Cl+NaCOOH"	102.956829
"919613"	202.033286	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M-H+CF3COOH"	112.985586
"1302771"	238.009964	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Cl+CF3COOH"	148.962264
"1381784"	54.035024	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H-2H2O"	-35.012676
"1397702"	72.045	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H-H2O"	-17.0027
"297878"	179.102676	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+H"	1.007276
"689205"	268.150376	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+H"	1.007276
"1363730"	90.054976	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H"	1.007276
"137345"	90.054976	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+2H"	2.014552
"576173"	134.578826	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+2H"	2.014552
"1049712"	45.531126	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2H"	2.014552
"209594"	60.3724093333333	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+3H"	3.021828
"655353"	90.054976	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+3H"	3.021828
"1169467"	30.6898426666667	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+3H"	3.021828
"433833"	196.129223	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+NH4"	18.033823
"800796"	285.176923	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+NH4"	18.033823
"1695179"	107.081523	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+NH4"	18.033823
"341635"	98.5682495	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+H+NH4"	19.041099
"731870"	143.0920995	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+H+NH4"	19.041099
"1486780"	54.0443995	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H+NH4"	19.041099
"405829"	201.084618	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+Na"	22.989218
"767918"	290.132318	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+Na"	22.989218
"1616380"	112.036918	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Na"	22.989218
"327874"	101.045947	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+H+Na"	23.996494
"719207"	145.569797	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+H+Na"	23.996494
"1474121"	56.522097	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H+Na"	23.996494
"1065907"	38.0171566666667	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2H+Na"	25.00377
"1271229"	122.081186	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+CH3OH+H"	33.033486
"389438"	217.058558	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+K"	38.963158
"750797"	306.106258	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+K"	38.963158
"1555039"	128.010858	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+K"	38.963158
"308940"	109.032917	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+H+K"	39.970434
"699175"	153.556767	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+H+K"	39.970434
"1455180"	64.509067	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H+K"	39.970434
"241594"	220.129226	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+ACN+H"	42.033826
"1217585"	131.081526	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+ACN+H"	42.033826
"1200738"	66.044401	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+ACN+2H"	43.041102
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"1137040"	134.01886	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2Na-H"	44.97116
"176686"	112.036918	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+2Na"	45.978436
"619530"	156.560768	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+2Na"	45.978436
"1119380"	67.513068	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2Na"	45.978436
"1399624"	45.3444706666667	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H+2Na"	46.985712
"1433930"	136.060446	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H+HCOOH"	47.012746
"221799"	117.06994	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+3H2O+2H"	56.04448
"1509500"	150.11249	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+IsoProp+H"	61.06479
"412476"	120.023888	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+Na+K"	61.952376
"773100"	164.547738	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+Na+K"	61.952376
"1668338"	75.500038	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Na+K"	61.952376
"255229"	242.111168	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+ACN+Na"	64.015768
"1231220"	153.063468	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+ACN+Na"	64.015768
"1717924"	153.086993	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+NH4+HCOOH"	64.039293
"1185465"	52.6717846666667	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+3Na"	68.967654
"1654267"	158.042388	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Na+HCOOH"	68.994688
"160032"	255.01444	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+2K-H"	76.91904
"599713"	344.06214	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+2K-H"	76.91904
"1087384"	165.96674	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2K-H"	76.91904
"149668"	128.010858	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"2M+2K"	77.926316
"588134"	172.534708	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"3M+2K"	77.926316
"1075927"	83.487008	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2K"	77.926316
"1106949"	167.981292	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2K+H"	78.933592
"1338961"	168.068907	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+DMSO+H"	79.021207
"1007735"	172.108076	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2ACN+H"	83.060376
"1526711"	173.101708	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+IsoProp+Na+H"	84.054008
"993158"	86.557676	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+2ACN+2H"	84.067652
"1588997"	174.016328	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+K+HCOOH"	84.968628
"1416601"	204.047838	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+H+CF3COOH"	115.000138
"1147131"	107.070951	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+3ACN+2H"	125.094202
"1697537"	221.074385	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+NH4+CF3COOH"	132.026685
"1644123"	226.02978	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+Na+CF3COOH"	136.98208
"1578682"	242.00372	"C11488"	"HMMF;N-Hydroxymethyl-N-methylformamide"	"C3H7NO2"	"89.0477"	"M+K+CF3COOH"	152.95602
"814517"	59.0371	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M"	0
"988055"	40.01871	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-H2O-H"	-19.01839
"77023"	38.3507906666667	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M-3H"	-3.021828
"516953"	58.029824	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M-3H"	-3.021828
"891474"	18.6717573333333	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-3H"	-3.021828
"12235"	58.029824	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M-2H"	-2.014552
"455366"	87.548374	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M-2H"	-2.014552
"828505"	28.511274	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-2H"	-2.014552
"90690"	117.066924	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M-H"	-1.007276
"522597"	176.104024	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M-H"	-1.007276
"903679"	58.029824	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-H"	-1.007276
"52952"	134.093471	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M-2H+NH4"	16.019271
"493241"	193.130571	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M-2H+NH4"	16.019271
"868128"	75.056371	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-2H+NH4"	16.019271
"36392"	139.048866	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M-2H+Na"	20.974666
"477046"	198.085966	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M-2H+Na"	20.974666
"855216"	80.011766	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-2H+Na"	20.974666
"1631311"	80.011766	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Na-2H"	20.974666
"106745"	76.018163	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M-H+Cl"	33.962126
"548493"	105.536713	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M-H+Cl"	33.962126
"936541"	46.499613	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-H+Cl"	33.962126
"277284"	153.043602	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+Cl"	34.969402
"668612"	212.080702	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+Cl"	34.969402
"1281015"	94.006502	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Cl"	34.969402
"21384"	155.022806	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M-2H+K"	36.948606
"462037"	214.059906	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M-2H+K"	36.948606
"839838"	95.985706	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-2H+K"	36.948606
"1562232"	95.985706	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+K-2H"	36.948606
"950116"	104.035294	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-H+HCOOH"	44.998194
"371615"	163.072401	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+HCOOH-H"	44.998201
"356959"	177.088051	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+Hac-H"	59.013851
"1505060"	118.050951	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Hac-H"	59.013851
"973212"	126.017251	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-H+NaCOOH"	66.980151
"125159"	94.006502	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+2Cl"	69.938804
"565207"	123.525052	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+2Cl"	69.938804
"1035337"	64.487952	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2Cl"	69.938804
"1254185"	137.955985	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Br"	78.918885
"1315545"	140.011972	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Cl+HCOOH"	80.974872
"1333040"	161.993929	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Cl+NaCOOH"	102.956829
"919723"	172.022686	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M-H+CF3COOH"	112.985586
"1303609"	207.999364	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Cl+CF3COOH"	148.962264
"1382423"	24.024424	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H-2H2O"	-35.012676
"1397935"	42.0344	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H-H2O"	-17.0027
"297502"	119.081476	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+H"	1.007276
"688221"	178.118576	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+H"	1.007276
"1364934"	60.044376	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H"	1.007276
"135631"	60.044376	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+2H"	2.014552
"577743"	89.562926	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+2H"	2.014552
"1049822"	30.525826	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2H"	2.014552
"215173"	40.3653426666667	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+3H"	3.021828
"656922"	60.044376	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+3H"	3.021828
"1172857"	20.6863093333333	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+3H"	3.021828
"435036"	136.108023	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+NH4"	18.033823
"801022"	195.145123	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+NH4"	18.033823
"1695167"	77.070923	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+NH4"	18.033823
"340653"	68.5576495	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+H+NH4"	19.041099
"734167"	98.0761995	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+H+NH4"	19.041099
"1489079"	39.0390995	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H+NH4"	19.041099
"405575"	141.063418	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+Na"	22.989218
"767665"	200.100518	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+Na"	22.989218
"1615761"	82.026318	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Na"	22.989218
"326891"	71.035347	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+H+Na"	23.996494
"721019"	100.553897	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+H+Na"	23.996494
"1476053"	41.516797	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H+Na"	23.996494
"1067110"	28.0136233333333	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2H+Na"	25.00377
"1271339"	92.070586	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+CH3OH+H"	33.033486
"389913"	157.037358	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+K"	38.963158
"749815"	216.074458	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+K"	38.963158
"1552963"	98.000258	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+K"	38.963158
"309415"	79.022317	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+H+K"	39.970434
"702564"	108.540867	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+H+K"	39.970434
"1455292"	49.503767	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H+K"	39.970434
"243891"	160.108026	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+ACN+H"	42.033826
"1214779"	101.070926	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+ACN+H"	42.033826
"1202671"	51.039101	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+ACN+2H"	43.041102
"199551"	163.04536	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+2Na-H"	44.97116
"631458"	222.08246	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+2Na-H"	44.97116
"1137516"	104.00826	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2Na-H"	44.97116
"178621"	82.026318	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+2Na"	45.978436
"619276"	111.544868	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+2Na"	45.978436
"1119488"	52.507768	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2Na"	45.978436
"1400222"	35.3409373333333	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H+2Na"	46.985712
"1433676"	106.049846	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H+HCOOH"	47.012746
"223364"	87.05934	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+3H2O+2H"	56.04448
"1509122"	120.10189	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+IsoProp+H"	61.06479
"412586"	90.013288	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+Na+K"	61.952376
"772117"	119.531838	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+Na+K"	61.952376
"1667353"	60.494738	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Na+K"	61.952376
"256434"	182.089968	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+ACN+Na"	64.015768
"1228778"	123.052868	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+ACN+Na"	64.015768
"1718034"	123.076393	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+NH4+HCOOH"	64.039293
"1187762"	42.6682513333333	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+3Na"	68.967654
"1656564"	128.031788	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Na+HCOOH"	68.994688
"162331"	194.99324	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+2K-H"	76.91904
"597117"	254.03034	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+2K-H"	76.91904
"1090774"	135.95614	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2K-H"	76.91904
"149778"	98.000258	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"2M+2K"	77.926316
"586058"	127.518808	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"3M+2K"	77.926316
"1076037"	68.481708	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2K"	77.926316
"1105966"	137.970692	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2K+H"	78.933592
"1341258"	138.058307	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+DMSO+H"	79.021207
"1010883"	142.097476	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2ACN+H"	83.060376
"1530101"	143.091108	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+IsoProp+Na+H"	84.054008
"996549"	71.552376	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+2ACN+2H"	84.067652
"1589229"	144.005728	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+K+HCOOH"	84.968628
"1415982"	174.037238	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+H+CF3COOH"	115.000138
"1147081"	92.065651	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+3ACN+2H"	125.094202
"1697400"	191.063785	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+NH4+CF3COOH"	132.026685
"1640953"	196.01918	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+Na+CF3COOH"	136.98208
"1578792"	211.99312	"C11489"	"NMF;N-Methylformamide"	"C2H5NO"	"59.0371"	"M+K+CF3COOH"	152.95602
"812440"	220.0518	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M"	0
"989382"	201.03341	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-H2O-H"	-19.01839
"78230"	145.693924	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M-3H"	-3.021828
"515968"	219.044524	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M-3H"	-3.021828
"895110"	72.343324	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-3H"	-3.021828
"15024"	219.044524	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M-2H"	-2.014552
"448627"	329.070424	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M-2H"	-2.014552
"830560"	109.018624	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-2H"	-2.014552
"90800"	439.096324	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M-H"	-1.007276
"523800"	659.148124	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M-H"	-1.007276
"901601"	219.044524	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-H"	-1.007276
"52697"	456.122871	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M-2H+NH4"	16.019271
"493351"	676.174671	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M-2H+NH4"	16.019271
"866778"	236.071071	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-2H+NH4"	16.019271
"36501"	461.078266	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M-2H+Na"	20.974666
"481531"	681.130066	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M-2H+Na"	20.974666
"854232"	241.026466	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-2H+Na"	20.974666
"1632270"	241.026466	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Na-2H"	20.974666
"107827"	237.032863	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M-H+Cl"	33.962126
"546415"	347.058763	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M-H+Cl"	33.962126
"937744"	127.006963	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-H+Cl"	33.962126
"275206"	475.073002	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+Cl"	34.969402
"663255"	695.124802	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+Cl"	34.969402
"1277845"	255.021202	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Cl"	34.969402
"20400"	477.052206	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M-2H+K"	36.948606
"458867"	697.104006	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M-2H+K"	36.948606
"836668"	257.000406	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-2H+K"	36.948606
"1563435"	257.000406	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+K-2H"	36.948606
"952413"	265.049994	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-H+HCOOH"	44.998194
"375006"	485.101801	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+HCOOH-H"	44.998201
"357069"	499.117451	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+Hac-H"	59.013851
"1506265"	279.065651	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Hac-H"	59.013851
"974111"	287.031951	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-H+NaCOOH"	66.980151
"124417"	255.021202	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+2Cl"	69.938804
"564340"	365.047102	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+2Cl"	69.938804
"1035811"	144.995302	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2Cl"	69.938804
"1255997"	298.970685	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Br"	78.918885
"1314559"	301.026672	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Cl+HCOOH"	80.974872
"1333150"	323.008629	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Cl+NaCOOH"	102.956829
"919833"	333.037386	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M-H+CF3COOH"	112.985586
"1303882"	369.014064	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Cl+CF3COOH"	148.962264
"1382331"	185.039124	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H-2H2O"	-35.012676
"1397804"	203.0491	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H-H2O"	-17.0027
"296276"	441.110876	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+H"	1.007276
"686142"	661.162676	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+H"	1.007276
"1362855"	221.059076	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H"	1.007276
"137566"	221.059076	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+2H"	2.014552
"578945"	331.084976	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+2H"	2.014552
"1045192"	111.033176	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2H"	2.014552
"213095"	147.708476	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+3H"	3.021828
"653749"	221.059076	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+3H"	3.021828
"1172967"	74.357876	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+3H"	3.021828
"431866"	458.137423	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+NH4"	18.033823
"799428"	678.189223	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+NH4"	18.033823
"1694670"	238.085623	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+NH4"	18.033823
"342222"	229.5723495	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+H+NH4"	19.041099
"734279"	339.5982495	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+H+NH4"	19.041099
"1489919"	119.5464495	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H+NH4"	19.041099
"404957"	463.092818	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+Na"	22.989218
"768749"	683.144618	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+Na"	22.989218
"1615143"	243.041018	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Na"	22.989218
"328095"	232.050047	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+H+Na"	23.996494
"719794"	342.075947	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+H+Na"	23.996494
"1471064"	122.024147	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H+Na"	23.996494
"1065523"	81.68519	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2H+Na"	25.00377
"1269265"	253.085286	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+CH3OH+H"	33.033486
"388565"	479.066758	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+K"	38.963158
"749925"	699.118558	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+K"	38.963158
"1550524"	259.014958	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+K"	38.963158
"304789"	240.037017	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+H+K"	39.970434
"700490"	350.062917	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+H+K"	39.970434
"1451028"	130.011117	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H+K"	39.970434
"242908"	482.137426	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+ACN+H"	42.033826
"1213431"	262.085626	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+ACN+H"	42.033826
"1195856"	131.546451	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+ACN+2H"	43.041102
"194558"	485.07476	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+2Na-H"	44.97116
"630102"	705.12656	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+2Na-H"	44.97116
"1132522"	265.02296	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2Na-H"	44.97116
"174112"	243.041018	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+2Na"	45.978436
"617563"	353.066918	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+2Na"	45.978436
"1120332"	133.015118	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2Na"	45.978436
"1400208"	89.012504	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H+2Na"	46.985712
"1432691"	267.064546	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H+HCOOH"	47.012746
"221287"	248.07404	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+3H2O+2H"	56.04448
"1509591"	281.11659	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+IsoProp+H"	61.06479
"412696"	251.027988	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+Na+K"	61.952376
"772957"	361.053888	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+Na+K"	61.952376
"1668922"	141.002088	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Na+K"	61.952376
"257639"	504.119368	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+ACN+Na"	64.015768
"1228524"	284.067568	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+ACN+Na"	64.015768
"1726163"	284.091093	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+NH4+HCOOH"	64.039293
"1187872"	96.339818	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+3Na"	68.967654
"1656673"	289.046488	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Na+HCOOH"	68.994688
"162441"	517.02264	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+2K-H"	76.91904
"598718"	737.07444	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+2K-H"	76.91904
"1093072"	296.97084	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2K-H"	76.91904
"149888"	259.014958	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"2M+2K"	77.926316
"588355"	369.040858	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"3M+2K"	77.926316
"1080521"	148.989058	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2K"	77.926316
"1109356"	298.985392	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2K+H"	78.933592
"1341368"	299.073007	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+DMSO+H"	79.021207
"1010993"	303.112176	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2ACN+H"	83.060376
"1529118"	304.105808	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+IsoProp+Na+H"	84.054008
"995565"	152.059726	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+2ACN+2H"	84.067652
"1591161"	305.020428	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+K+HCOOH"	84.968628
"1416821"	335.051938	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+H+CF3COOH"	115.000138
"1147594"	172.573001	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+3ACN+2H"	125.094202
"1697873"	352.078485	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+NH4+CF3COOH"	132.026685
"1641063"	357.03388	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+Na+CF3COOH"	136.98208
"1578902"	373.00782	"C11490"	"AMCC;N-Acetyl-S-(N-methylcarbamoyl)cysteine"	"C7H12N2O4S"	"220.0518"	"M+K+CF3COOH"	152.95602
"812550"	216.0786	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M"	0
"989125"	197.06021	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-H2O-H"	-19.01839
"77243"	143.045124	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M-3H"	-3.021828
"514984"	215.071324	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M-3H"	-3.021828
"894974"	71.018924	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-3H"	-3.021828
"14278"	215.071324	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M-2H"	-2.014552
"450924"	323.110624	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M-2H"	-2.014552
"829818"	107.032024	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-2H"	-2.014552
"92611"	431.149924	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M-H"	-1.007276
"526097"	647.228524	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M-H"	-1.007276
"902806"	215.071324	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-H"	-1.007276
"53901"	448.176471	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M-2H+NH4"	16.019271
"492368"	664.255071	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M-2H+NH4"	16.019271
"869076"	232.097871	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-2H+NH4"	16.019271
"35883"	453.131866	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M-2H+Na"	20.974666
"480912"	669.210466	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M-2H+Na"	20.974666
"849967"	237.053266	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-2H+Na"	20.974666
"1630436"	237.053266	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Na-2H"	20.974666
"105507"	233.059663	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M-H+Cl"	33.962126
"545068"	341.098963	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M-H+Cl"	33.962126
"937855"	125.020363	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-H+Cl"	33.962126
"273131"	467.126602	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+Cl"	34.969402
"663365"	683.205202	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+Cl"	34.969402
"1277956"	251.048002	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Cl"	34.969402
"18324"	469.105806	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M-2H+K"	36.948606
"462257"	685.184406	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M-2H+K"	36.948606
"837871"	253.027206	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-2H+K"	36.948606
"1562451"	253.027206	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+K-2H"	36.948606
"948148"	261.076794	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-H+HCOOH"	44.998194
"372928"	477.155401	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+HCOOH-H"	44.998201
"357543"	491.171051	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+Hac-H"	59.013851
"1504550"	275.092451	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Hac-H"	59.013851
"967719"	283.058751	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-H+NaCOOH"	66.980151
"122093"	251.048002	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+2Cl"	69.938804
"561655"	359.087302	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+2Cl"	69.938804
"1031546"	143.008702	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2Cl"	69.938804
"1248938"	294.997485	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Br"	78.918885
"1311389"	297.053472	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Cl+HCOOH"	80.974872
"1331073"	319.035429	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Cl+NaCOOH"	102.956829
"916663"	329.064186	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M-H+CF3COOH"	112.985586
"1303584"	365.040864	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Cl+CF3COOH"	148.962264
"1382476"	181.065924	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H-2H2O"	-35.012676
"1397421"	199.0759	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H-H2O"	-17.0027
"296751"	433.164476	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+H"	1.007276
"687707"	649.243076	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+H"	1.007276
"1364422"	217.085876	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H"	1.007276
"136946"	217.085876	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+2H"	2.014552
"578691"	325.125176	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+2H"	2.014552
"1048582"	109.046576	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2H"	2.014552
"215393"	145.059676	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+3H"	3.021828
"657871"	217.085876	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+3H"	3.021828
"1175265"	73.033476	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+3H"	3.021828
"433069"	450.191023	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+NH4"	18.033823
"799905"	666.269623	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+NH4"	18.033823
"1694777"	234.112423	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+NH4"	18.033823
"342695"	225.5991495	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+H+NH4"	19.041099
"736213"	333.6384495	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+H+NH4"	19.041099
"1487111"	117.5598495	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H+NH4"	19.041099
"402509"	455.146418	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+Na"	22.989218
"765696"	671.225018	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+Na"	22.989218
"1613066"	239.067818	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Na"	22.989218
"327845"	228.076847	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+H+Na"	23.996494
"721122"	336.116147	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+H+Na"	23.996494
"1475182"	120.037547	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H+Na"	23.996494
"1066604"	80.36079	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2H+Na"	25.00377
"1270104"	249.112086	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+CH3OH+H"	33.033486
"389768"	471.120358	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+K"	38.963158
"751128"	687.198958	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+K"	38.963158
"1551727"	255.041758	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+K"	38.963158
"304899"	236.063817	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+H+K"	39.970434
"698413"	344.103117	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+H+K"	39.970434
"1451140"	128.024517	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H+K"	39.970434
"240833"	474.191026	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+ACN+H"	42.033826
"1214999"	258.112426	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+ACN+H"	42.033826
"1197059"	129.559851	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+ACN+2H"	43.041102
"194668"	477.12836	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+2Na-H"	44.97116
"630220"	693.20696	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+2Na-H"	44.97116
"1132632"	261.04976	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2Na-H"	44.97116
"175197"	239.067818	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+2Na"	45.978436
"619497"	347.107118	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+2Na"	45.978436
"1118254"	131.028518	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2Na"	45.978436
"1401047"	87.688104	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H+2Na"	46.985712
"1431701"	263.091346	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H+HCOOH"	47.012746
"222127"	244.10084	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+3H2O+2H"	56.04448
"1509217"	277.14339	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+IsoProp+H"	61.06479
"414993"	247.054788	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+Na+K"	61.952376
"773067"	355.094088	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+Na+K"	61.952376
"1667210"	139.015488	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Na+K"	61.952376
"257749"	496.172968	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+ACN+Na"	64.015768
"1227175"	280.094368	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+ACN+Na"	64.015768
"1725911"	280.117893	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+NH4+HCOOH"	64.039293
"1191262"	95.015418	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+3Na"	68.967654
"1658970"	285.073288	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Na+HCOOH"	68.994688
"163645"	509.07624	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+2K-H"	76.91904
"599923"	725.15484	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+2K-H"	76.91904
"1093183"	292.99764	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2K-H"	76.91904
"153279"	255.041758	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"2M+2K"	77.926316
"591746"	363.081058	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"3M+2K"	77.926316
"1079539"	147.002458	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2K"	77.926316
"1107280"	295.012192	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2K+H"	78.933592
"1344758"	295.099807	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+DMSO+H"	79.021207
"1013290"	299.138976	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2ACN+H"	83.060376
"1532508"	300.132608	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+IsoProp+Na+H"	84.054008
"995675"	150.073126	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+2ACN+2H"	84.067652
"1590178"	301.047228	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+K+HCOOH"	84.968628
"1416931"	331.078738	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+H+CF3COOH"	115.000138
"1148675"	170.586401	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+3ACN+2H"	125.094202
"1697861"	348.105285	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+NH4+CF3COOH"	132.026685
"1638986"	353.06068	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+Na+CF3COOH"	136.98208
"1576825"	369.03462	"C11491"	"NOP;2-(2-Naphthalenyloxy)propanoic acid;2-(2-Naphthoxy)propionic acid"	"C13H12O3"	"216.0786"	"M+K+CF3COOH"	152.95602
"816756"	230.0943	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M"	0
"989321"	211.07591	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"77717"	152.388924	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"518135"	229.087024	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"895168"	75.690824	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"12564"	229.087024	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"454314"	344.134174	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"831022"	114.039874	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"93903"	459.181324	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"532405"	689.275624	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"909356"	229.087024	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"61910"	476.207871	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"497945"	706.302171	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"873561"	246.113571	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"44378"	481.163266	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"485032"	711.257566	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"858826"	251.068966	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1632127"	251.068966	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"108291"	247.075363	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"548702"	362.122513	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"939787"	132.028213	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"276520"	495.158002	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"667848"	725.252302	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1285355"	265.063702	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"26088"	497.137206	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"465647"	727.231506	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"840169"	267.042906	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1562561"	267.042906	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"950445"	275.092494	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"376079"	505.186801	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"359234"	519.202451	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1505753"	289.108151	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"971838"	297.074451	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"122203"	265.063702	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"560671"	380.110852	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1028376"	150.016552	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1249048"	309.013185	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1314779"	311.069172	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1333370"	333.051129	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"920053"	343.079886	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1303824"	379.056564	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1382707"	195.081624	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1398376"	213.0916	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"297952"	461.195876	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"688914"	691.290176	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1366358"	231.101576	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"135962"	231.101576	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"579534"	346.148726	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1050516"	116.054426	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"216596"	154.403476	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"651782"	231.101576	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1176104"	77.705376	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"434272"	478.222423	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"799650"	708.316723	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1695617"	248.128123	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"340980"	239.6148495	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"734495"	354.6619995	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1488315"	124.5676995	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"405535"	483.177818	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"766894"	713.272118	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1609526"	253.083518	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"320656"	242.092547	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"717456"	357.139697	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1473463"	127.045397	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1067442"	85.03269	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1270211"	263.127786	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"390972"	499.151758	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"751236"	729.246058	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1554021"	269.057458	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"310470"	250.079517	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"700702"	365.126667	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1455620"	135.032367	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"247503"	502.222426	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1216931"	272.128126	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1208834"	136.567701	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"195873"	505.15976	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"629965"	735.25406	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1136753"	275.06546	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"182233"	253.083518	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"623981"	368.130668	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1118363"	138.036368	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1399939"	92.360004	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1431814"	277.107046	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"221264"	258.11654	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1510667"	291.15909	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"412916"	261.070488	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"772813"	376.117638	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1667687"	146.023338	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"258952"	524.204368	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1231660"	294.110068	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1727478"	294.133593	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1193808"	99.687318	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1661267"	299.088988	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"164849"	537.10764	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"604408"	767.20194	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1097668"	307.01334	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"151202"	269.057458	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"591856"	384.104608	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1073089"	154.010308	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1108484"	309.027892	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1344868"	309.115507	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1011214"	313.154676	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1531525"	314.148308	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"995785"	157.080976	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1591381"	315.062928	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1423601"	345.094438	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1147816"	177.594251	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1698336"	362.120985	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1639096"	367.07638	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1575842"	383.05032	"C11492"	"NOPM;2-(2-Naphthoxy)propionic acid methyl ester"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"814961"	383.0051	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M"	0
"989619"	363.98671	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-H2O-H"	-19.01839
"76375"	254.329457333333	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M-3H"	-3.021828
"515204"	381.997824	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M-3H"	-3.021828
"891912"	126.661090666667	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-3H"	-3.021828
"12673"	381.997824	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M-2H"	-2.014552
"450050"	573.500374	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M-2H"	-2.014552
"826758"	190.495274	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-2H"	-2.014552
"92597"	765.002924	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M-H"	-1.007276
"533124"	1148.008024	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M-H"	-1.007276
"911173"	381.997824	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-H"	-1.007276
"62265"	782.029471	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M-2H+NH4"	16.019271
"499878"	1165.034571	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M-2H+NH4"	16.019271
"879465"	399.024371	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-2H+NH4"	16.019271
"46882"	786.984866	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M-2H+Na"	20.974666
"487026"	1169.989966	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M-2H+Na"	20.974666
"862217"	403.979766	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-2H+Na"	20.974666
"1634090"	403.979766	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Na-2H"	20.974666
"109585"	399.986163	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M-H+Cl"	33.962126
"547842"	591.488713	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M-H+Cl"	33.962126
"940990"	208.483613	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-H+Cl"	33.962126
"280640"	800.979602	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+Cl"	34.969402
"670146"	1183.984702	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+Cl"	34.969402
"1285465"	417.974502	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Cl"	34.969402
"26198"	802.958806	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M-2H+K"	36.948606
"466851"	1185.963906	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M-2H+K"	36.948606
"840278"	419.953706	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-2H+K"	36.948606
"1567046"	419.953706	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+K-2H"	36.948606
"952744"	428.003294	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-H+HCOOH"	44.998194
"376309"	811.008401	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+HCOOH-H"	44.998201
"360517"	825.024051	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+Hac-H"	59.013851
"1502582"	442.018951	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Hac-H"	59.013851
"973896"	449.985251	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-H+NaCOOH"	66.980151
"125654"	417.974502	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+2Cl"	69.938804
"562969"	609.477052	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+2Cl"	69.938804
"1031767"	226.471952	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2Cl"	69.938804
"1248064"	461.923985	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Br"	78.918885
"1318902"	463.979972	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Cl+HCOOH"	80.974872
"1331294"	485.961929	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Cl+NaCOOH"	102.956829
"922350"	495.990686	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M-H+CF3COOH"	112.985586
"1303450"	531.967364	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Cl+CF3COOH"	148.962264
"1382217"	347.992424	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H-2H2O"	-35.012676
"1397648"	366.0024	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H-H2O"	-17.0027
"297331"	767.017476	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+H"	1.007276
"690846"	1150.022576	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+H"	1.007276
"1366102"	384.012376	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H"	1.007276
"140449"	384.012376	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+2H"	2.014552
"579280"	575.514926	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+2H"	2.014552
"1050990"	192.509826	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2H"	2.014552
"219141"	256.344009333333	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+3H"	3.021828
"657361"	384.012376	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+3H"	3.021828
"1176214"	128.675642666667	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+3H"	3.021828
"434382"	784.044023	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+NH4"	18.033823
"798663"	1167.049123	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+NH4"	18.033823
"1693906"	401.038923	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+NH4"	18.033823
"344374"	392.5256495	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+H+NH4"	19.041099
"734606"	584.0281995	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+H+NH4"	19.041099
"1491585"	201.0230995	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H+NH4"	19.041099
"403826"	788.999418	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+Na"	22.989218
"760444"	1172.004518	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+Na"	22.989218
"1611825"	405.994318	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Na"	22.989218
"324050"	395.003347	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+H+Na"	23.996494
"722743"	586.505897	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+H+Na"	23.996494
"1474666"	203.500797	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H+Na"	23.996494
"1068119"	136.002956666667	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2H+Na"	25.00377
"1269591"	416.038586	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+CH3OH+H"	33.033486
"389260"	804.973358	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+K"	38.963158
"750984"	1187.978458	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+K"	38.963158
"1552308"	421.968258	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+K"	38.963158
"309487"	402.990317	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+H+K"	39.970434
"704092"	594.492867	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+H+K"	39.970434
"1457919"	211.487767	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H+K"	39.970434
"249801"	808.044026	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+ACN+H"	42.033826
"1219229"	425.038926	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+ACN+H"	42.033826
"1206391"	213.023101	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+ACN+2H"	43.041102
"198170"	810.98136	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+2Na-H"	44.97116
"631168"	1193.98646	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+2Na-H"	44.97116
"1136497"	427.97626	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2Na-H"	44.97116
"180156"	405.994318	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+2Na"	45.978436
"626277"	597.496868	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+2Na"	45.978436
"1120661"	214.491768	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2Na"	45.978436
"1402363"	143.330270666667	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H+2Na"	46.985712
"1432656"	430.017846	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H+HCOOH"	47.012746
"221620"	411.02734	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+3H2O+2H"	56.04448
"1510780"	444.06989	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+IsoProp+H"	61.06479
"410467"	413.981288	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+Na+K"	61.952376
"772196"	605.483838	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+Na+K"	61.952376
"1668887"	222.478738	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Na+K"	61.952376
"254682"	830.025968	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+ACN+Na"	64.015768
"1229581"	447.020868	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+ACN+Na"	64.015768
"1722846"	447.044393	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+NH4+HCOOH"	64.039293
"1193311"	150.657584666667	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+3Na"	68.967654
"1661376"	451.999788	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Na+HCOOH"	68.994688
"169330"	842.92924	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+2K-H"	76.91904
"611078"	1225.93434	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+2K-H"	76.91904
"1096682"	459.92414	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2K-H"	76.91904
"153498"	421.968258	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"2M+2K"	77.926316
"585404"	613.470808	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"3M+2K"	77.926316
"1077573"	230.465708	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2K"	77.926316
"1107500"	461.938692	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2K+H"	78.933592
"1346072"	462.026307	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+DMSO+H"	79.021207
"1013511"	466.065476	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2ACN+H"	83.060376
"1532728"	467.059108	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+IsoProp+Na+H"	84.054008
"999175"	233.536376	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+2ACN+2H"	84.067652
"1595865"	467.973728	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+K+HCOOH"	84.968628
"1423711"	498.005238	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+H+CF3COOH"	115.000138
"1148896"	254.049651	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+3ACN+2H"	125.094202
"1698449"	515.031785	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+NH4+CF3COOH"	132.026685
"1639206"	519.98718	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+Na+CF3COOH"	136.98208
"1577045"	535.96112	"C11493"	"Carfentrazone"	"C13H10Cl2F3N3O3"	"383.0051"	"M+K+CF3COOH"	152.95602
"814344"	288.1474	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M"	0
"986419"	269.12901	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-H2O-H"	-19.01839
"75755"	191.090990666667	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M-3H"	-3.021828
"515313"	287.140124	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M-3H"	-3.021828
"893114"	95.0418573333333	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-3H"	-3.021828
"9503"	287.140124	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H"	-2.014552
"450161"	431.213824	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H"	-2.014552
"826868"	143.066424	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-2H"	-2.014552
"87955"	575.287524	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M-H"	-1.007276
"534008"	863.434924	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M-H"	-1.007276
"911165"	287.140124	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-H"	-1.007276
"62379"	592.314071	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H+NH4"	16.019271
"500352"	880.461471	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H+NH4"	16.019271
"879579"	304.166671	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-2H+NH4"	16.019271
"46955"	597.269466	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H+Na"	20.974666
"486680"	885.416866	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H+Na"	20.974666
"863381"	309.122066	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-2H+Na"	20.974666
"1633896"	309.122066	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Na-2H"	20.974666
"109816"	305.128463	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M-H+Cl"	33.962126
"549614"	449.202163	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M-H+Cl"	33.962126
"941466"	161.054763	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-H+Cl"	33.962126
"280751"	611.264202	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+Cl"	34.969402
"668069"	899.411602	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+Cl"	34.969402
"1284846"	323.116802	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl"	34.969402
"27401"	613.243406	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H+K"	36.948606
"468054"	901.390806	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H+K"	36.948606
"842575"	325.096006	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-2H+K"	36.948606
"1567156"	325.096006	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+K-2H"	36.948606
"952854"	333.145594	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-H+HCOOH"	44.998194
"377042"	621.293001	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+HCOOH-H"	44.998201
"360059"	635.308651	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+Hac-H"	59.013851
"1504879"	347.161251	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Hac-H"	59.013851
"972789"	355.127551	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-H+NaCOOH"	66.980151
"125609"	323.116802	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+2Cl"	69.938804
"564417"	467.190502	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+2Cl"	69.938804
"1034064"	179.043102	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2Cl"	69.938804
"1248174"	367.066285	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Br"	78.918885
"1308435"	369.122272	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl+HCOOH"	80.974872
"1335565"	391.104229	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl+NaCOOH"	102.956829
"926476"	401.132986	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M-H+CF3COOH"	112.985586
"1304129"	437.109664	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl+CF3COOH"	148.962264
"1382709"	253.134724	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H-2H2O"	-35.012676
"1397636"	271.1447	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H-H2O"	-17.0027
"297443"	577.302076	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+H"	1.007276
"689863"	865.449476	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+H"	1.007276
"1366090"	289.154676	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H"	1.007276
"139469"	289.154676	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+2H"	2.014552
"580849"	433.228376	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+2H"	2.014552
"1050736"	145.080976	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2H"	2.014552
"219008"	193.105542666667	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+3H"	3.021828
"657472"	289.154676	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+3H"	3.021828
"1173408"	97.0564093333333	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+3H"	3.021828
"434492"	594.328623	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+NH4"	18.033823
"798412"	882.476023	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+NH4"	18.033823
"1694745"	306.181223	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+NH4"	18.033823
"343752"	297.6679495	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+H+NH4"	19.041099
"734718"	441.7416495	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+H+NH4"	19.041099
"1491454"	153.5942495	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H+NH4"	19.041099
"405029"	599.284018	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+Na"	22.989218
"760554"	887.431418	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+Na"	22.989218
"1608654"	311.136618	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Na"	22.989218
"324157"	300.145647	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+H+Na"	23.996494
"715488"	444.219347	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+H+Na"	23.996494
"1470401"	156.071947	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H+Na"	23.996494
"1062553"	104.383723333333	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2H+Na"	25.00377
"1268606"	321.180886	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+CH3OH+H"	33.033486
"389367"	615.257958	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+K"	38.963158
"750361"	903.405358	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+K"	38.963158
"1550228"	327.110558	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+K"	38.963158
"306311"	308.132617	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+H+K"	39.970434
"703108"	452.206317	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+H+K"	39.970434
"1455839"	164.058917	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H+K"	39.970434
"244440"	618.328626	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+ACN+H"	42.033826
"1216059"	330.181226	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+ACN+H"	42.033826
"1207594"	165.594251	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+ACN+2H"	43.041102
"196092"	621.26596	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+2Na-H"	44.97116
"635653"	909.41336	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+2Na-H"	44.97116
"1140252"	333.11856	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2Na-H"	44.97116
"179170"	311.136618	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+2Na"	45.978436
"614597"	455.210318	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+2Na"	45.978436
"1116887"	167.062918	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2Na"	45.978436
"1400650"	111.711037333333	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H+2Na"	46.985712
"1431309"	335.160146	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H+HCOOH"	47.012746
"221001"	316.16964	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+3H2O+2H"	56.04448
"1510161"	349.21219	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+IsoProp+H"	61.06479
"410212"	319.123588	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+Na+K"	61.952376
"771088"	463.197288	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+Na+K"	61.952376
"1668270"	175.049888	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Na+K"	61.952376
"254792"	640.310568	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+ACN+Na"	64.015768
"1229691"	352.163168	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+ACN+Na"	64.015768
"1722956"	352.186693	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+NH4+HCOOH"	64.039293
"1193996"	119.038351333333	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+3Na"	68.967654
"1664766"	357.142088	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Na+HCOOH"	68.994688
"170534"	653.21384	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+2K-H"	76.91904
"611190"	941.36124	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+2K-H"	76.91904
"1096792"	365.06644	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2K-H"	76.91904
"153608"	327.110558	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"2M+2K"	77.926316
"586607"	471.184258	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"3M+2K"	77.926316
"1077683"	183.036858	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2K"	77.926316
"1107610"	367.080992	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2K+H"	78.933592
"1346182"	367.168607	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+DMSO+H"	79.021207
"1015805"	371.207776	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2ACN+H"	83.060376
"1532838"	372.201408	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+IsoProp+Na+H"	84.054008
"999285"	186.107526	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+2ACN+2H"	84.067652
"1597068"	373.116028	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+K+HCOOH"	84.968628
"1423821"	403.147538	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+H+CF3COOH"	115.000138
"1149006"	206.620801	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+3ACN+2H"	125.094202
"1698922"	420.174085	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+NH4+CF3COOH"	132.026685
"1639316"	425.12948	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+Na+CF3COOH"	136.98208
"1577155"	441.10342	"C11494"	"Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate"	"C16H20N2O3"	"288.1474"	"M+K+CF3COOH"	152.95602
"815185"	288.1474	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M"	0
"985436"	269.12901	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-H2O-H"	-19.01839
"75865"	191.090990666667	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M-3H"	-3.021828
"516153"	287.140124	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M-3H"	-3.021828
"893954"	95.0418573333333	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-3H"	-3.021828
"11801"	287.140124	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H"	-2.014552
"448083"	431.213824	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H"	-2.014552
"830258"	143.066424	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-2H"	-2.014552
"85878"	575.287524	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M-H"	-1.007276
"532731"	863.434924	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M-H"	-1.007276
"910658"	287.140124	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-H"	-1.007276
"62240"	592.314071	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H+NH4"	16.019271
"502654"	880.461471	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H+NH4"	16.019271
"878267"	304.166671	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-2H+NH4"	16.019271
"46168"	597.269466	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H+Na"	20.974666
"486335"	885.416866	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H+Na"	20.974666
"861338"	309.122066	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-2H+Na"	20.974666
"1631601"	309.122066	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Na-2H"	20.974666
"104119"	305.128463	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M-H+Cl"	33.962126
"549075"	449.202163	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M-H+Cl"	33.962126
"940118"	161.054763	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-H+Cl"	33.962126
"280133"	611.264202	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+Cl"	34.969402
"668179"	899.411602	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+Cl"	34.969402
"1284956"	323.116802	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl"	34.969402
"25324"	613.243406	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M-2H+K"	36.948606
"463791"	901.390806	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M-2H+K"	36.948606
"841592"	325.096006	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-2H+K"	36.948606
"1566174"	325.096006	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+K-2H"	36.948606
"952964"	333.145594	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-H+HCOOH"	44.998194
"375924"	621.293001	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+HCOOH-H"	44.998201
"359927"	635.308651	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+Hac-H"	59.013851
"1504989"	347.161251	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Hac-H"	59.013851
"972414"	355.127551	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-H+NaCOOH"	66.980151
"118159"	323.116802	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+2Cl"	69.938804
"560999"	467.190502	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+2Cl"	69.938804
"1030892"	179.043102	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2Cl"	69.938804
"1247191"	367.066285	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Br"	78.918885
"1311825"	369.122272	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl+HCOOH"	80.974872
"1334071"	391.104229	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl+NaCOOH"	102.956829
"925491"	401.132986	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M-H+CF3COOH"	112.985586
"1304097"	437.109664	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Cl+CF3COOH"	148.962264
"1382602"	253.134724	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H-2H2O"	-35.012676
"1397867"	271.1447	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H-H2O"	-17.0027
"297189"	577.302076	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+H"	1.007276
"690339"	865.449476	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+H"	1.007276
"1364498"	289.154676	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H"	1.007276
"140794"	289.154676	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+2H"	2.014552
"581162"	433.228376	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+2H"	2.014552
"1050846"	145.080976	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2H"	2.014552
"219482"	193.105542666667	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+3H"	3.021828
"658311"	289.154676	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+3H"	3.021828
"1173518"	97.0564093333333	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+3H"	3.021828
"432416"	594.328623	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+NH4"	18.033823
"800588"	882.476023	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+NH4"	18.033823
"1694854"	306.181223	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+NH4"	18.033823
"342038"	297.6679495	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+H+NH4"	19.041099
"735920"	441.7416495	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+H+NH4"	19.041099
"1488647"	153.5942495	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H+NH4"	19.041099
"406232"	599.284018	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+Na"	22.989218
"765040"	887.431418	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+Na"	22.989218
"1609857"	311.136618	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Na"	22.989218
"324267"	300.145647	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+H+Na"	23.996494
"713412"	444.219347	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+H+Na"	23.996494
"1469418"	156.071947	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H+Na"	23.996494
"1061570"	104.383723333333	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2H+Na"	25.00377
"1269809"	321.180886	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+CH3OH+H"	33.033486
"388384"	615.257958	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+K"	38.963158
"747191"	903.405358	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+K"	38.963158
"1548152"	327.110558	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+K"	38.963158
"307516"	308.132617	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+H+K"	39.970434
"699939"	452.206317	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+H+K"	39.970434
"1455949"	164.058917	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H+K"	39.970434
"242364"	618.328626	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+ACN+H"	42.033826
"1221637"	330.181226	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+ACN+H"	42.033826
"1203331"	165.594251	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+ACN+2H"	43.041102
"195110"	621.26596	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+2Na-H"	44.97116
"635763"	909.41336	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+2Na-H"	44.97116
"1142549"	333.11856	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2Na-H"	44.97116
"184383"	311.136618	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+2Na"	45.978436
"618841"	455.210318	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+2Na"	45.978436
"1118695"	167.062918	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2Na"	45.978436
"1399299"	111.711037333333	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H+2Na"	46.985712
"1434702"	335.160146	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H+HCOOH"	47.012746
"221480"	316.16964	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+3H2O+2H"	56.04448
"1508683"	349.21219	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+IsoProp+H"	61.06479
"409584"	319.123588	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+Na+K"	61.952376
"770955"	463.197288	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+Na+K"	61.952376
"1666557"	175.049888	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Na+K"	61.952376
"253076"	640.310568	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+ACN+Na"	64.015768
"1228708"	352.163168	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+ACN+Na"	64.015768
"1726346"	352.186693	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+NH4+HCOOH"	64.039293
"1193981"	119.038351333333	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+3Na"	68.967654
"1664878"	357.142088	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Na+HCOOH"	68.994688
"172758"	653.21384	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+2K-H"	76.91904
"612789"	941.36124	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+2K-H"	76.91904
"1096902"	365.06644	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2K-H"	76.91904
"153718"	327.110558	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"2M+2K"	77.926316
"588903"	471.184258	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"3M+2K"	77.926316
"1078886"	183.036858	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2K"	77.926316
"1107720"	367.080992	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2K+H"	78.933592
"1346292"	367.168607	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+DMSO+H"	79.021207
"1015915"	371.207776	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2ACN+H"	83.060376
"1532949"	372.201408	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+IsoProp+Na+H"	84.054008
"996115"	186.107526	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+2ACN+2H"	84.067652
"1600094"	373.116028	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+K+HCOOH"	84.968628
"1423931"	403.147538	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+H+CF3COOH"	115.000138
"1149119"	206.620801	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+3ACN+2H"	125.094202
"1701586"	420.174085	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+NH4+CF3COOH"	132.026685
"1639426"	425.12948	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+Na+CF3COOH"	136.98208
"1576172"	441.10342	"C11495"	"Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate"	"C16H20N2O3"	"288.1474"	"M+K+CF3COOH"	152.95602
"814198"	200.0177	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M"	0
"987732"	180.99931	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H2O-H"	-19.01839
"75247"	132.337857333333	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-3H"	-3.021828
"515534"	199.010424	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-3H"	-3.021828
"890055"	65.6652906666667	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-3H"	-3.021828
"8630"	199.010424	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H"	-2.014552
"444913"	299.019274	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H"	-2.014552
"827088"	99.001574	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H"	-2.014552
"85988"	399.028124	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-H"	-1.007276
"533451"	599.045824	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-H"	-1.007276
"910284"	199.010424	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H"	-1.007276
"60771"	416.054671	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H+NH4"	16.019271
"502032"	616.072371	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H+NH4"	16.019271
"877770"	216.036971	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H+NH4"	16.019271
"45180"	421.010066	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H+Na"	20.974666
"486445"	621.027766	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H+Na"	20.974666
"860355"	220.992366	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H+Na"	20.974666
"1632075"	220.992366	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na-2H"	20.974666
"102043"	216.998763	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-H+Cl"	33.962126
"548537"	317.007613	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-H+Cl"	33.962126
"940228"	116.989913	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+Cl"	33.962126
"279149"	435.004802	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Cl"	34.969402
"669383"	635.022502	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+Cl"	34.969402
"1280692"	234.987102	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl"	34.969402
"22154"	436.984006	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H+K"	36.948606
"464995"	637.001706	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H+K"	36.948606
"843889"	236.966306	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H+K"	36.948606
"1566284"	236.966306	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K-2H"	36.948606
"954167"	245.015894	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+HCOOH"	44.998194
"375302"	445.033601	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+HCOOH-H"	44.998201
"359915"	459.049251	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Hac-H"	59.013851
"1504005"	259.031551	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Hac-H"	59.013851
"972645"	266.997851	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+NaCOOH"	66.980151
"118269"	234.987102	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2Cl"	69.938804
"560016"	334.995952	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2Cl"	69.938804
"1029909"	134.978252	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2Cl"	69.938804
"1248394"	278.936585	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Br"	78.918885
"1311935"	280.992572	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl+HCOOH"	80.974872
"1334181"	302.974529	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl+NaCOOH"	102.956829
"924509"	313.003286	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+CF3COOH"	112.985586
"1303410"	348.979964	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl+CF3COOH"	148.962264
"1382184"	165.005024	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H-2H2O"	-35.012676
"1396519"	183.015	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H-H2O"	-17.0027
"295475"	401.042676	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H"	1.007276
"690448"	601.060376	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H"	1.007276
"1365701"	201.024976	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H"	1.007276
"139323"	201.024976	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2H"	2.014552
"579977"	301.033826	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2H"	2.014552
"1048404"	101.016126	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2H"	2.014552
"218618"	134.352409333333	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+3H"	3.021828
"656598"	201.024976	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+3H"	3.021828
"1173628"	67.6798426666667	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+3H"	3.021828
"432526"	418.069223	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+NH4"	18.033823
"797900"	618.086923	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+NH4"	18.033823
"1692777"	218.051523	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+NH4"	18.033823
"340323"	209.5382495	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H+NH4"	19.041099
"733841"	309.5470995	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H+NH4"	19.041099
"1486569"	109.5293995	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+NH4"	19.041099
"403061"	423.024618	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Na"	22.989218
"766243"	623.042318	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+Na"	22.989218
"1608873"	223.006918	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na"	22.989218
"322191"	212.015947	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H+Na"	23.996494
"712427"	312.024797	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H+Na"	23.996494
"1470621"	112.007097	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+Na"	23.996494
"1060587"	75.0071566666667	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2H+Na"	25.00377
"1268826"	233.051186	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+CH3OH+H"	33.033486
"388494"	438.998558	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+K"	38.963158
"746208"	639.016258	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+K"	38.963158
"1547168"	238.980858	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K"	38.963158
"306532"	220.002917	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H+K"	39.970434
"698956"	320.011767	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H+K"	39.970434
"1451685"	119.994067	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+K"	39.970434
"242474"	442.069226	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+ACN+H"	42.033826
"1219559"	242.051526	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+ACN+H"	42.033826
"1202347"	121.529401	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+ACN+2H"	43.041102
"195219"	445.00656	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2Na-H"	44.97116
"634780"	645.02426	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2Na-H"	44.97116
"1137192"	244.98886	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2Na-H"	44.97116
"183400"	223.006918	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2Na"	45.978436
"620044"	323.015768	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2Na"	45.978436
"1118805"	122.998068	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2Na"	45.978436
"1400502"	82.3344706666667	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+2Na"	46.985712
"1434812"	247.030446	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+HCOOH"	47.012746
"221347"	228.03994	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+3H2O+2H"	56.04448
"1509401"	261.08249	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+IsoProp+H"	61.06479
"409693"	230.993888	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Na+K"	61.952376
"771427"	331.002738	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+Na+K"	61.952376
"1666667"	130.985038	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na+K"	61.952376
"251804"	464.051168	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+ACN+Na"	64.015768
"1228818"	264.033468	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+ACN+Na"	64.015768
"1726335"	264.056993	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+NH4+HCOOH"	64.039293
"1194137"	89.6617846666667	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+3Na"	68.967654
"1664625"	269.012388	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na+HCOOH"	68.994688
"171726"	476.95444	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2K-H"	76.91904
"608127"	676.97214	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2K-H"	76.91904
"1093732"	276.93674	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2K-H"	76.91904
"151641"	238.980858	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2K"	77.926316
"589014"	338.989708	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2K"	77.926316
"1076809"	138.972008	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2K"	77.926316
"1105644"	278.951292	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2K+H"	78.933592
"1344215"	279.038907	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+DMSO+H"	79.021207
"1014932"	283.078076	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2ACN+H"	83.060376
"1533059"	284.071708	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+IsoProp+Na+H"	84.054008
"998412"	142.042676	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2ACN+2H"	84.067652
"1597288"	284.986328	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K+HCOOH"	84.968628
"1421855"	315.017838	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+CF3COOH"	115.000138
"1149229"	162.555951	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+3ACN+2H"	125.094202
"1701696"	332.044385	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+NH4+CF3COOH"	132.026685
"1638443"	336.99978	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na+CF3COOH"	136.98208
"1576282"	352.97372	"C11496"	"(R)-2-Hydroxypropyl-CoM;2-(R)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K+CF3COOH"	152.95602
"816498"	198.0021	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M"	0
"986751"	178.98371	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-H2O-H"	-19.01839
"76454"	130.994124	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M-3H"	-3.021828
"516739"	196.994824	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M-3H"	-3.021828
"895390"	64.993424	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-3H"	-3.021828
"15020"	196.994824	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M-2H"	-2.014552
"451583"	295.995874	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M-2H"	-2.014552
"829384"	97.993774	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-2H"	-2.014552
"85005"	394.996924	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M-H"	-1.007276
"533682"	592.999024	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M-H"	-1.007276
"910033"	196.994824	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-H"	-1.007276
"61004"	412.023471	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M-2H+NH4"	16.019271
"502020"	610.025571	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M-2H+NH4"	16.019271
"878974"	214.021371	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-2H+NH4"	16.019271
"46384"	416.978866	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M-2H+Na"	20.974666
"485220"	614.980966	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M-2H+Na"	20.974666
"863141"	218.976766	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-2H+Na"	20.974666
"1633766"	218.976766	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Na-2H"	20.974666
"108471"	214.983163	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M-H+Cl"	33.962126
"546829"	313.984213	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M-H+Cl"	33.962126
"939975"	115.982113	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-H+Cl"	33.962126
"279259"	430.973602	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+Cl"	34.969402
"670586"	628.975702	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+Cl"	34.969402
"1275335"	232.971502	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Cl"	34.969402
"18984"	432.952806	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M-2H+K"	36.948606
"462918"	630.954906	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M-2H+K"	36.948606
"841813"	234.950706	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-2H+K"	36.948606
"1568945"	234.950706	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+K-2H"	36.948606
"949904"	243.000294	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-H+HCOOH"	44.998194
"373588"	441.002401	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+HCOOH-H"	44.998201
"358565"	455.018051	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+Hac-H"	59.013851
"1503022"	257.015951	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Hac-H"	59.013851
"972391"	264.982251	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-H+NaCOOH"	66.980151
"121659"	232.971502	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+2Cl"	69.938804
"557939"	331.972552	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+2Cl"	69.938804
"1034029"	133.970452	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2Cl"	69.938804
"1250691"	276.920985	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Br"	78.918885
"1312045"	278.976972	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Cl+HCOOH"	80.974872
"1330642"	300.958929	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Cl+NaCOOH"	102.956829
"924986"	310.987686	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M-H+CF3COOH"	112.985586
"1303398"	346.964364	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Cl+CF3COOH"	148.962264
"1382618"	162.989424	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H-2H2O"	-35.012676
"1398090"	180.9994	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H-H2O"	-17.0027
"298137"	397.011476	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+H"	1.007276
"690964"	595.013576	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+H"	1.007276
"1365934"	199.009376	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H"	1.007276
"140899"	199.009376	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+2H"	2.014552
"580329"	298.010426	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+2H"	2.014552
"1048878"	100.008326	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2H"	2.014552
"217879"	133.008676	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+3H"	3.021828
"657801"	199.009376	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+3H"	3.021828
"1173738"	67.007976	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+3H"	3.021828
"432636"	414.038023	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+NH4"	18.033823
"798743"	612.040123	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+NH4"	18.033823
"1693980"	216.035923	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+NH4"	18.033823
"339340"	207.5226495	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+H+NH4"	19.041099
"736138"	306.5236995	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+H+NH4"	19.041099
"1488866"	108.5215995	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H+NH4"	19.041099
"404993"	418.993418	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+Na"	22.989218
"760884"	616.995518	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+Na"	22.989218
"1613358"	220.991318	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Na"	22.989218
"321208"	210.000347	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+H+Na"	23.996494
"711444"	309.001397	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+H+Na"	23.996494
"1469638"	110.999297	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H+Na"	23.996494
"1059603"	74.33529	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2H+Na"	25.00377
"1270029"	231.035586	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+CH3OH+H"	33.033486
"387511"	434.967358	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+K"	38.963158
"748506"	632.969458	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+K"	38.963158
"1547279"	236.965258	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+K"	38.963158
"305550"	217.987317	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+H+K"	39.970434
"697973"	316.988367	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+H+K"	39.970434
"1453982"	118.986267	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H+K"	39.970434
"244772"	438.038026	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+ACN+H"	42.033826
"1221856"	240.035926	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+ACN+H"	42.033826
"1206833"	120.521601	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+ACN+2H"	43.041102
"196423"	440.97536	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+2Na-H"	44.97116
"638171"	638.97746	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+2Na-H"	44.97116
"1140584"	242.97326	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2Na-H"	44.97116
"180596"	220.991318	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+2Na"	45.978436
"616875"	319.992368	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+2Na"	45.978436
"1120375"	121.990268	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2Na"	45.978436
"1404264"	81.662604	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H+2Na"	46.985712
"1438202"	245.014846	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H+HCOOH"	47.012746
"222064"	226.02434	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+3H2O+2H"	56.04448
"1509756"	259.06689	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+IsoProp+H"	61.06479
"408713"	228.978288	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+Na+K"	61.952376
"770813"	327.979338	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+Na+K"	61.952376
"1667144"	129.977238	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Na+K"	61.952376
"256215"	460.019968	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+ACN+Na"	64.015768
"1229292"	262.017868	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+ACN+Na"	64.015768
"1724379"	262.041393	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+NH4+HCOOH"	64.039293
"1193383"	88.989918	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+3Na"	68.967654
"1664374"	266.996788	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Na+HCOOH"	68.994688
"172327"	472.92324	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+2K-H"	76.91904
"611396"	670.92534	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+2K-H"	76.91904
"1097853"	274.92114	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2K-H"	76.91904
"157032"	236.965258	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"2M+2K"	77.926316
"589124"	335.966308	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"3M+2K"	77.926316
"1073637"	137.964208	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2K"	77.926316
"1107941"	276.935692	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2K+H"	78.933592
"1343232"	277.023307	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+DMSO+H"	79.021207
"1016135"	281.062476	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2ACN+H"	83.060376
"1538515"	282.056108	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+IsoProp+Na+H"	84.054008
"1005602"	141.034876	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+2ACN+2H"	84.067652
"1602427"	282.970728	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+K+HCOOH"	84.968628
"1420872"	313.002238	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+H+CF3COOH"	115.000138
"1150068"	161.548151	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+3ACN+2H"	125.094202
"1702899"	330.028785	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+NH4+CF3COOH"	132.026685
"1638553"	334.98418	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+Na+CF3COOH"	136.98208
"1576392"	350.95812	"C11497"	"2-Oxopropyl-CoM;2-(2-Oxopropylthio)ethanesulfonate"	"C5H10O4S2"	"198.0021"	"M+K+CF3COOH"	152.95602
"817061"	200.0177	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M"	0
"988683"	180.99931	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H2O-H"	-19.01839
"77900"	132.337857333333	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-3H"	-3.021828
"516854"	199.010424	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-3H"	-3.021828
"895615"	65.6652906666667	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-3H"	-3.021828
"15688"	199.010424	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H"	-2.014552
"455297"	299.019274	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H"	-2.014552
"832602"	99.001574	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H"	-2.014552
"88394"	399.028124	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-H"	-1.007276
"534002"	599.045824	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-H"	-1.007276
"910873"	199.010424	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H"	-1.007276
"61965"	416.054671	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H+NH4"	16.019271
"502538"	616.072371	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H+NH4"	16.019271
"879774"	216.036971	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H+NH4"	16.019271
"46859"	421.010066	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H+Na"	20.974666
"485332"	621.027766	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H+Na"	20.974666
"863702"	220.992366	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H+Na"	20.974666
"1633963"	220.992366	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na-2H"	20.974666
"108822"	216.998763	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-H+Cl"	33.962126
"547544"	317.007613	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-H+Cl"	33.962126
"938627"	116.989913	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+Cl"	33.962126
"277182"	435.004802	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Cl"	34.969402
"668510"	635.022502	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+Cl"	34.969402
"1278726"	234.987102	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl"	34.969402
"21282"	436.984006	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M-2H+K"	36.948606
"464121"	637.001706	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M-2H+K"	36.948606
"845203"	236.966306	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-2H+K"	36.948606
"1568690"	236.966306	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K-2H"	36.948606
"951107"	245.015894	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+HCOOH"	44.998194
"376614"	445.033601	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+HCOOH-H"	44.998201
"358676"	459.049251	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Hac-H"	59.013851
"1503133"	259.031551	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Hac-H"	59.013851
"972498"	266.997851	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+NaCOOH"	66.980151
"124933"	234.987102	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2Cl"	69.938804
"563519"	334.995952	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2Cl"	69.938804
"1035482"	134.978252	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2Cl"	69.938804
"1249708"	278.936585	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Br"	78.918885
"1316529"	280.992572	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl+HCOOH"	80.974872
"1334027"	302.974529	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl+NaCOOH"	102.956829
"926189"	313.003286	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M-H+CF3COOH"	112.985586
"1302534"	348.979964	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Cl+CF3COOH"	148.962264
"1382662"	165.005024	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H-2H2O"	-35.012676
"1397838"	183.015	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H-H2O"	-17.0027
"298247"	401.042676	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H"	1.007276
"691032"	601.060376	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H"	1.007276
"1366651"	201.024976	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H"	1.007276
"141278"	201.024976	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2H"	2.014552
"580927"	301.033826	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2H"	2.014552
"1047896"	101.016126	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2H"	2.014552
"217624"	134.352409333333	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+3H"	3.021828
"658276"	201.024976	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+3H"	3.021828
"1173484"	67.6798426666667	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+3H"	3.021828
"433475"	418.069223	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+NH4"	18.033823
"797760"	618.086923	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+NH4"	18.033823
"1691903"	218.051523	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+NH4"	18.033823
"337263"	209.5382495	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H+NH4"	19.041099
"733694"	309.5470995	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H+NH4"	19.041099
"1490796"	109.5293995	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+NH4"	19.041099
"404373"	423.024618	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Na"	22.989218
"755282"	623.042318	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+Na"	22.989218
"1609093"	223.006918	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na"	22.989218
"323504"	212.015947	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H+Na"	23.996494
"717019"	312.024797	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H+Na"	23.996494
"1470841"	112.007097	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+Na"	23.996494
"1064088"	75.0071566666667	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2H+Na"	25.00377
"1264672"	233.051186	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+CH3OH+H"	33.033486
"388716"	438.998558	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+K"	38.963158
"746429"	639.016258	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+K"	38.963158
"1547391"	238.980858	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K"	38.963158
"308944"	220.002917	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+H+K"	39.970434
"704646"	320.011767	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+H+K"	39.970434
"1449352"	119.994067	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+K"	39.970434
"243786"	442.069226	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+ACN+H"	42.033826
"1218684"	242.051526	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+ACN+H"	42.033826
"1203662"	121.529401	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+ACN+2H"	43.041102
"193254"	445.00656	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2Na-H"	44.97116
"635002"	645.02426	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2Na-H"	44.97116
"1135228"	244.98886	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2Na-H"	44.97116
"179610"	223.006918	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2Na"	45.978436
"617346"	323.015768	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2Na"	45.978436
"1118661"	122.998068	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2Na"	45.978436
"1400241"	82.3344706666667	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+2Na"	46.985712
"1438313"	247.030446	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+HCOOH"	47.012746
"221808"	228.03994	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+3H2O+2H"	56.04448
"1509629"	261.08249	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+IsoProp+H"	61.06479
"409311"	230.993888	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+Na+K"	61.952376
"770192"	331.002738	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+Na+K"	61.952376
"1666522"	130.985038	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na+K"	61.952376
"254138"	464.051168	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+ACN+Na"	64.015768
"1230131"	264.033468	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+ACN+Na"	64.015768
"1715739"	264.056993	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+NH4+HCOOH"	64.039293
"1193574"	89.6617846666667	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+3Na"	68.967654
"1664727"	269.012388	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na+HCOOH"	68.994688
"172314"	476.95444	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2K-H"	76.91904
"610899"	676.97214	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2K-H"	76.91904
"1098813"	276.93674	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2K-H"	76.91904
"156601"	238.980858	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"2M+2K"	77.926316
"589234"	338.989708	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"3M+2K"	77.926316
"1075933"	138.972008	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2K"	77.926316
"1108051"	278.951292	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2K+H"	78.933592
"1343342"	279.038907	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+DMSO+H"	79.021207
"1018433"	283.078076	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2ACN+H"	83.060376
"1538747"	284.071708	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+IsoProp+Na+H"	84.054008
"1005080"	142.042676	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+2ACN+2H"	84.067652
"1601886"	284.986328	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K+HCOOH"	84.968628
"1423170"	315.017838	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+H+CF3COOH"	115.000138
"1155644"	162.555951	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+3ACN+2H"	125.094202
"1704103"	332.044385	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+NH4+CF3COOH"	132.026685
"1638662"	336.99978	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+Na+CF3COOH"	136.98208
"1576502"	352.97372	"C11498"	"(S)-2-Hydroxypropyl-CoM;2-(S)-Hydroxypropyl-CoM"	"C5H12O4S2"	"200.0177"	"M+K+CF3COOH"	152.95602
"814526"	169.9885	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M"	0
"989157"	150.97011	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H2O-H"	-19.01839
"77037"	112.318390666667	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-3H"	-3.021828
"516959"	168.981224	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-3H"	-3.021828
"894394"	55.6555573333333	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-3H"	-3.021828
"12971"	168.981224	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H"	-2.014552
"450709"	253.975474	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H"	-2.014552
"830333"	83.986974	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H"	-2.014552
"85225"	338.969724	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H"	-1.007276
"533944"	508.958224	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H"	-1.007276
"910250"	168.981224	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H"	-1.007276
"61708"	355.996271	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+NH4"	16.019271
"501871"	525.984771	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+NH4"	16.019271
"879827"	186.007771	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+NH4"	16.019271
"47009"	360.951666	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+Na"	20.974666
"485441"	530.940166	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+Na"	20.974666
"863967"	190.963166	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+Na"	20.974666
"1632405"	190.963166	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na-2H"	20.974666
"105653"	186.969563	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H+Cl"	33.962126
"546316"	271.963813	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H+Cl"	33.962126
"936550"	101.975313	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+Cl"	33.962126
"276200"	374.946402	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Cl"	34.969402
"665340"	544.934902	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Cl"	34.969402
"1282116"	204.957902	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl"	34.969402
"21392"	376.925606	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+K"	36.948606
"462044"	546.914106	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+K"	36.948606
"843126"	206.937106	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+K"	36.948606
"1560051"	206.937106	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K-2H"	36.948606
"954498"	214.986694	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+HCOOH"	44.998194
"373808"	384.975201	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+HCOOH-H"	44.998201
"355506"	398.990851	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Hac-H"	59.013851
"1504338"	229.002351	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Hac-H"	59.013851
"970786"	236.968651	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+NaCOOH"	66.980151
"119694"	204.957902	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Cl"	69.938804
"563629"	289.952152	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Cl"	69.938804
"1032427"	119.963652	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Cl"	69.938804
"1254557"	248.907385	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Br"	78.918885
"1316640"	250.963372	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+HCOOH"	80.974872
"1331948"	272.945329	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+NaCOOH"	102.956829
"925570"	282.974086	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+CF3COOH"	112.985586
"1302280"	318.950764	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+CF3COOH"	148.962264
"1382268"	134.975824	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-2H2O"	-35.012676
"1397825"	152.9858	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-H2O"	-17.0027
"297629"	340.984276	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H"	1.007276
"691144"	510.972776	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H"	1.007276
"1366519"	170.995776	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H"	1.007276
"140018"	170.995776	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2H"	2.014552
"581038"	255.990026	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2H"	2.014552
"1048370"	86.001526	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H"	2.014552
"217002"	114.332942666667	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H"	3.021828
"651458"	170.995776	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+3H"	3.021828
"1165206"	57.6701093333333	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3H"	3.021828
"432856"	358.010823	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+NH4"	18.033823
"798233"	527.999323	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+NH4"	18.033823
"1691284"	188.022323	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4"	18.033823
"337373"	179.5090495	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+NH4"	19.041099
"733075"	264.5032995	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+NH4"	19.041099
"1490542"	94.5147995	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+NH4"	19.041099
"402296"	362.966218	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na"	22.989218
"755636"	532.954718	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na"	22.989218
"1609203"	192.977718	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na"	22.989218
"323614"	181.986747	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+Na"	23.996494
"717129"	266.980997	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+Na"	23.996494
"1470950"	96.992497	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+Na"	23.996494
"1064198"	64.9974233333333	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H+Na"	25.00377
"1265875"	203.021986	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+CH3OH+H"	33.033486
"389558"	378.940158	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+K"	38.963158
"746542"	548.928658	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+K"	38.963158
"1546410"	208.951658	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K"	38.963158
"309055"	189.973717	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+K"	39.970434
"700384"	274.967967	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+K"	39.970434
"1447638"	104.979467	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+K"	39.970434
"239523"	382.010826	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+H"	42.033826
"1213326"	212.022326	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+H"	42.033826
"1200491"	106.514801	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+2H"	43.041102
"191176"	384.94816	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na-H"	44.97116
"631831"	554.93666	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na-H"	44.97116
"1134609"	214.95966	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na-H"	44.97116
"176441"	192.977718	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na"	45.978436
"619281"	277.971968	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na"	45.978436
"1118042"	107.983468	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na"	45.978436
"1399865"	72.3247373333333	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+2Na"	46.985712
"1436236"	217.001246	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+HCOOH"	47.012746
"220252"	198.01074	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H2O+2H"	56.04448
"1509737"	231.05329	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+H"	61.06479
"408854"	200.964688	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na+K"	61.952376
"771029"	285.958938	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na+K"	61.952376
"1666633"	115.970438	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+K"	61.952376
"253884"	403.992768	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+Na"	64.015768
"1229512"	234.004268	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+Na"	64.015768
"1714389"	234.027793	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+HCOOH"	64.039293
"1193602"	79.6520513333333	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3Na"	68.967654
"1664591"	238.983188	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+HCOOH"	68.994688
"172382"	416.89604	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K-H"	76.91904
"611009"	586.88454	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K-H"	76.91904
"1097950"	246.90754	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K-H"	76.91904
"155618"	208.951658	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K"	77.926316
"591531"	293.945908	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K"	77.926316
"1076044"	123.957408	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K"	77.926316
"1107068"	248.922092	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K+H"	78.933592
"1343452"	249.009707	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+DMSO+H"	79.021207
"1018543"	253.048876	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+H"	83.060376
"1535579"	254.042508	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+Na+H"	84.054008
"1005435"	127.028076	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+2H"	84.067652
"1602567"	254.957128	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+HCOOH"	84.968628
"1423280"	284.988638	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+CF3COOH"	115.000138
"1156848"	147.541351	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3ACN+2H"	125.094202
"1706401"	302.015185	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+CF3COOH"	132.026685
"1638772"	306.97058	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+CF3COOH"	136.98208
"1576612"	322.94452	"C11499"	"(S)-3-Sulfolactate;(2S)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+CF3COOH"	152.95602
"812447"	265.0811	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M"	0
"988536"	246.06271	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-H2O-H"	-19.01839
"70942"	175.713457333333	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M-3H"	-3.021828
"515978"	264.073824	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M-3H"	-3.021828
"892683"	87.3530906666667	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-3H"	-3.021828
"12352"	264.073824	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M-2H"	-2.014552
"452644"	396.614374	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M-2H"	-2.014552
"830443"	131.533274	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-2H"	-2.014552
"87522"	529.154924	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M-H"	-1.007276
"533043"	794.236024	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M-H"	-1.007276
"909267"	264.073824	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-H"	-1.007276
"61939"	546.181471	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M-2H+NH4"	16.019271
"501984"	811.262571	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M-2H+NH4"	16.019271
"877603"	281.100371	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-2H+NH4"	16.019271
"43430"	551.136866	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M-2H+Na"	20.974666
"480814"	816.217966	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M-2H+Na"	20.974666
"862139"	286.055766	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-2H+Na"	20.974666
"1632156"	286.055766	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Na-2H"	20.974666
"109291"	282.062163	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M-H+Cl"	33.962126
"548482"	414.602713	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M-H+Cl"	33.962126
"942128"	149.521613	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-H+Cl"	33.962126
"280685"	565.131602	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+Cl"	34.969402
"670919"	830.212702	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+Cl"	34.969402
"1285508"	300.050502	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Cl"	34.969402
"24783"	567.110806	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M-2H+K"	36.948606
"467621"	832.191906	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M-2H+K"	36.948606
"847246"	302.029706	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-2H+K"	36.948606
"1567815"	302.029706	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+K-2H"	36.948606
"956067"	310.079294	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-H+HCOOH"	44.998194
"371732"	575.160401	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+HCOOH-H"	44.998201
"360843"	589.176051	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+Hac-H"	59.013851
"1507609"	324.094951	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Hac-H"	59.013851
"970896"	332.061251	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-H+NaCOOH"	66.980151
"125151"	300.050502	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+2Cl"	69.938804
"560458"	432.591052	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+2Cl"	69.938804
"1029257"	167.509952	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2Cl"	69.938804
"1252115"	343.999985	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Br"	78.918885
"1313469"	346.055972	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Cl+HCOOH"	80.974872
"1332059"	368.037929	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Cl+NaCOOH"	102.956829
"922026"	378.066686	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M-H+CF3COOH"	112.985586
"1298734"	414.043364	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Cl+CF3COOH"	148.962264
"1375801"	230.068424	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H-2H2O"	-35.012676
"1397815"	248.0784	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H-H2O"	-17.0027
"297739"	531.169476	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+H"	1.007276
"690524"	796.250576	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+H"	1.007276
"1362133"	266.088376	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H"	1.007276
"140736"	266.088376	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+2H"	2.014552
"576767"	398.628926	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+2H"	2.014552
"1048480"	133.547826	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2H"	2.014552
"216749"	177.728009333333	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+3H"	3.021828
"651568"	266.088376	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+3H"	3.021828
"1166410"	89.3676426666667	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+3H"	3.021828
"432963"	548.196023	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+NH4"	18.033823
"796158"	813.277123	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+NH4"	18.033823
"1692123"	283.114923	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+NH4"	18.033823
"337483"	274.6016495	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+H+NH4"	19.041099
"731728"	407.1421995	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+H+NH4"	19.041099
"1488829"	142.0610995	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H+NH4"	19.041099
"401312"	553.151418	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+Na"	22.989218
"756839"	818.232518	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+Na"	22.989218
"1608220"	288.070318	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Na"	22.989218
"323360"	277.079347	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+H+Na"	23.996494
"710678"	409.619897	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+H+Na"	23.996494
"1471061"	144.538797	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H+Na"	23.996494
"1058842"	96.6949566666667	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2H+Na"	25.00377
"1262709"	298.114586	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+CH3OH+H"	33.033486
"382375"	569.125358	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+K"	38.963158
"743374"	834.206458	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+K"	38.963158
"1543968"	304.044258	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+K"	38.963158
"305884"	285.066317	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+H+K"	39.970434
"702679"	417.606867	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+H+K"	39.970434
"1448479"	152.525767	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H+K"	39.970434
"242916"	572.196026	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+ACN+H"	42.033826
"1212707"	307.114926	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+ACN+H"	42.033826
"1196591"	154.061101	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+ACN+2H"	43.041102
"190919"	575.13336	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+2Na-H"	44.97116
"631207"	840.21446	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+2Na-H"	44.97116
"1135443"	310.05226	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2Na-H"	44.97116
"175086"	288.070318	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+2Na"	45.978436
"617201"	420.610868	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+2Na"	45.978436
"1122892"	155.529768	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2Na"	45.978436
"1404230"	104.022270666667	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H+2Na"	46.985712
"1430146"	312.093846	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H+HCOOH"	47.012746
"221420"	293.10334	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+3H2O+2H"	56.04448
"1508880"	326.14589	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+IsoProp+H"	61.06479
"409775"	296.057288	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+Na+K"	61.952376
"770778"	428.597838	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+Na+K"	61.952376
"1667474"	163.516738	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Na+K"	61.952376
"255453"	594.177968	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+ACN+Na"	64.015768
"1228529"	329.096868	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+ACN+Na"	64.015768
"1718146"	329.120393	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+NH4+HCOOH"	64.039293
"1191161"	111.349584666667	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+3Na"	68.967654
"1662512"	334.075788	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Na+HCOOH"	68.994688
"166821"	607.08124	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+2K-H"	76.91904
"610391"	872.16234	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+2K-H"	76.91904
"1095266"	342.00014	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2K-H"	76.91904
"155244"	304.044258	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"2M+2K"	77.926316
"590550"	436.584808	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"3M+2K"	77.926316
"1080528"	171.503708	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2K"	77.926316
"1106083"	344.014692	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2K+H"	78.933592
"1347935"	344.102307	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+DMSO+H"	79.021207
"1013186"	348.141476	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2ACN+H"	83.060376
"1534592"	349.135108	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+IsoProp+Na+H"	84.054008
"1002865"	174.574376	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+2ACN+2H"	84.067652
"1599919"	350.049728	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+K+HCOOH"	84.968628
"1426671"	380.081238	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+H+CF3COOH"	115.000138
"1158053"	195.087651	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+3ACN+2H"	125.094202
"1706512"	397.107785	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+NH4+CF3COOH"	132.026685
"1644349"	402.06318	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+Na+CF3COOH"	136.98208
"1580002"	418.03712	"C11500"	"5-Dehydroadenosine"	"C10H11N5O4"	"265.0811"	"M+K+CF3COOH"	152.95602
"813651"	281.076	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M"	0
"989013"	262.05761	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-H2O-H"	-19.01839
"71052"	186.376724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M-3H"	-3.021828
"516456"	280.068724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M-3H"	-3.021828
"893523"	92.684724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-3H"	-3.021828
"14286"	280.068724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M-2H"	-2.014552
"454939"	420.606724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M-2H"	-2.014552
"830917"	139.530724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-2H"	-2.014552
"88725"	561.144724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M-H"	-1.007276
"531937"	842.220724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M-H"	-1.007276
"906089"	280.068724	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-H"	-1.007276
"58277"	578.171271	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M-2H+NH4"	16.019271
"500274"	859.247271	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M-2H+NH4"	16.019271
"877346"	297.095271	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-2H+NH4"	16.019271
"42447"	583.126666	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M-2H+Na"	20.974666
"484566"	864.202666	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M-2H+Na"	20.974666
"861634"	302.050666	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-2H+Na"	20.974666
"1629343"	302.050666	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Na-2H"	20.974666
"107939"	298.057063	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M-H+Cl"	33.962126
"545433"	438.595063	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M-H+Cl"	33.962126
"935668"	157.519063	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-H+Cl"	33.962126
"280670"	597.121402	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+Cl"	34.969402
"671024"	878.197402	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+Cl"	34.969402
"1285978"	316.045402	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Cl"	34.969402
"27804"	599.100606	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M-2H+K"	36.948606
"467727"	880.176606	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M-2H+K"	36.948606
"844435"	318.024606	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-2H+K"	36.948606
"1564641"	318.024606	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+K-2H"	36.948606
"953621"	326.074194	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-H+HCOOH"	44.998194
"376545"	607.150201	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+HCOOH-H"	44.998201
"360591"	621.165851	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+Hac-H"	59.013851
"1506747"	340.089851	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Hac-H"	59.013851
"969915"	348.056151	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-H+NaCOOH"	66.980151
"125345"	316.045402	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+2Cl"	69.938804
"557288"	456.583402	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+2Cl"	69.938804
"1028275"	175.507402	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2Cl"	69.938804
"1247853"	359.994885	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Br"	78.918885
"1308114"	362.050872	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Cl+HCOOH"	80.974872
"1323422"	384.032829	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Cl+NaCOOH"	102.956829
"921043"	394.061586	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M-H+CF3COOH"	112.985586
"1297751"	430.038264	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Cl+CF3COOH"	148.962264
"1374817"	246.063324	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H-2H2O"	-35.012676
"1397924"	264.0733	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H-H2O"	-17.0027
"298216"	563.159276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+H"	1.007276
"690150"	844.235276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+H"	1.007276
"1364065"	282.083276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H"	1.007276
"140484"	282.083276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+2H"	2.014552
"579068"	422.621276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+2H"	2.014552
"1050907"	141.545276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2H"	2.014552
"216859"	188.391276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+3H"	3.021828
"648398"	282.083276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+3H"	3.021828
"1168708"	94.699276	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+3H"	3.021828
"433074"	580.185823	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+NH4"	18.033823
"797726"	861.261823	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+NH4"	18.033823
"1691868"	299.109823	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+NH4"	18.033823
"340145"	290.5965495	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+H+NH4"	19.041099
"732567"	431.1345495	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+H+NH4"	19.041099
"1489303"	150.0585495	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H+NH4"	19.041099
"402516"	585.141218	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+Na"	22.989218
"758044"	866.217218	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+Na"	22.989218
"1614527"	304.065218	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Na"	22.989218
"324928"	293.074247	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+H+Na"	23.996494
"718445"	433.612247	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+H+Na"	23.996494
"1468989"	152.536247	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H+Na"	23.996494
"1061137"	102.02659	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2H+Na"	25.00377
"1262817"	314.109486	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+CH3OH+H"	33.033486
"382489"	601.115158	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+K"	38.963158
"748952"	882.191158	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+K"	38.963158
"1547725"	320.039158	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+K"	38.963158
"312435"	301.061217	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+H+K"	39.970434
"702789"	441.599217	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+H+K"	39.970434
"1457705"	160.523217	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H+K"	39.970434
"245214"	604.185826	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+ACN+H"	42.033826
"1217924"	323.109826	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+ACN+H"	42.033826
"1197431"	162.058551	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+ACN+2H"	43.041102
"192489"	607.12316	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+2Na-H"	44.97116
"633141"	888.19916	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+2Na-H"	44.97116
"1138833"	326.04716	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2Na-H"	44.97116
"178843"	304.065218	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+2Na"	45.978436
"617310"	444.603218	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+2Na"	45.978436
"1124096"	163.527218	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2Na"	45.978436
"1403247"	109.353904	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H+2Na"	46.985712
"1433177"	328.088746	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H+HCOOH"	47.012746
"221409"	309.09824	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+3H2O+2H"	56.04448
"1510572"	342.14079	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+IsoProp+H"	61.06479
"409889"	312.052188	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+Na+K"	61.952376
"771620"	452.590188	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+Na+K"	61.952376
"1670138"	171.514188	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Na+K"	61.952376
"255564"	626.167768	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+ACN+Na"	64.015768
"1230461"	345.091768	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+ACN+Na"	64.015768
"1718255"	345.115293	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+NH4+HCOOH"	64.039293
"1190542"	116.681218	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+3Na"	68.967654
"1660069"	350.070688	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Na+HCOOH"	68.994688
"168025"	639.07104	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+2K-H"	76.91904
"606492"	920.14704	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+2K-H"	76.91904
"1098172"	357.99504	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2K-H"	76.91904
"153287"	320.039158	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"2M+2K"	77.926316
"591753"	460.577158	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"3M+2K"	77.926316
"1076264"	179.501158	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2K"	77.926316
"1107288"	360.009592	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2K+H"	78.933592
"1348048"	360.097207	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+DMSO+H"	79.021207
"1017672"	364.136376	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2ACN+H"	83.060376
"1536889"	365.130008	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+IsoProp+Na+H"	84.054008
"1001153"	182.571826	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+2ACN+2H"	84.067652
"1600030"	366.044628	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+K+HCOOH"	84.968628
"1427511"	396.076138	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+H+CF3COOH"	115.000138
"1153790"	203.085101	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+3ACN+2H"	125.094202
"1706621"	413.102685	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+NH4+CF3COOH"	132.026685
"1645552"	418.05808	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+Na+CF3COOH"	136.98208
"1580112"	434.03202	"C11501"	"9-Riburonosyladenine"	"C10H11N5O5"	"281.076"	"M+K+CF3COOH"	152.95602
"815947"	970.2882	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M"	0
"989872"	951.26981	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-H2O-H"	-19.01839
"73348"	645.851524	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M-3H"	-3.021828
"518224"	969.280924	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M-3H"	-3.021828
"895516"	322.422124	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-3H"	-3.021828
"14880"	969.280924	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M-2H"	-2.014552
"455609"	1454.425024	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M-2H"	-2.014552
"825557"	484.136824	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-2H"	-2.014552
"91021"	1939.569124	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M-H"	-1.007276
"531677"	2909.857324	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M-H"	-1.007276
"906199"	969.280924	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-H"	-1.007276
"58387"	1956.595671	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M-2H+NH4"	16.019271
"499410"	2926.883871	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M-2H+NH4"	16.019271
"878548"	986.307471	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-2H+NH4"	16.019271
"43650"	1961.551066	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M-2H+Na"	20.974666
"485399"	2931.839266	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M-2H+Na"	20.974666
"861014"	991.262866	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-2H+Na"	20.974666
"1630546"	991.262866	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Na-2H"	20.974666
"109306"	987.269263	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M-H+Cl"	33.962126
"547365"	1472.413363	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M-H+Cl"	33.962126
"937600"	502.125163	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-H+Cl"	33.962126
"281871"	1975.545802	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+Cl"	34.969402
"674050"	2945.834002	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+Cl"	34.969402
"1287546"	1005.257602	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Cl"	34.969402
"29736"	1977.525006	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M-2H+K"	36.948606
"467837"	2947.813206	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M-2H+K"	36.948606
"846733"	1007.236806	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-2H+K"	36.948606
"1568031"	1007.236806	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+K-2H"	36.948606
"953731"	1015.286394	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-H+HCOOH"	44.998194
"376574"	1985.574601	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+HCOOH-H"	44.998201
"361187"	1999.590251	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+Hac-H"	59.013851
"1507831"	1029.302051	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Hac-H"	59.013851
"973672"	1037.268351	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-H+NaCOOH"	66.980151
"125371"	1005.257602	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+2Cl"	69.938804
"559584"	1490.401702	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+2Cl"	69.938804
"1031664"	520.113502	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2Cl"	69.938804
"1252336"	1049.207085	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Br"	78.918885
"1315877"	1051.263072	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Cl+HCOOH"	80.974872
"1332646"	1073.245029	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Cl+NaCOOH"	102.956829
"925893"	1083.273786	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M-H+CF3COOH"	112.985586
"1303210"	1119.250464	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Cl+CF3COOH"	148.962264
"1381735"	935.275524	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H-2H2O"	-35.012676
"1397907"	953.2855	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H-H2O"	-17.0027
"297960"	1941.583676	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+H"	1.007276
"689651"	2911.871876	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+H"	1.007276
"1365269"	971.295476	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H"	1.007276
"140347"	971.295476	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+2H"	2.014552
"579786"	1456.439576	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+2H"	2.014552
"1052109"	486.151376	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2H"	2.014552
"215875"	647.866076	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+3H"	3.021828
"649601"	971.295476	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+3H"	3.021828
"1173559"	324.436676	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+3H"	3.021828
"429906"	1958.610223	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+NH4"	18.033823
"796377"	2928.898423	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+NH4"	18.033823
"1688332"	988.322023	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+NH4"	18.033823
"337703"	979.8087495	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+H+NH4"	19.041099
"733405"	1464.9528495	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+H+NH4"	19.041099
"1490872"	494.6646495	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H+NH4"	19.041099
"402626"	1963.565618	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+Na"	22.989218
"763621"	2933.853818	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+Na"	22.989218
"1612814"	993.277418	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Na"	22.989218
"325038"	982.286447	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+H+Na"	23.996494
"719647"	1467.430547	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+H+Na"	23.996494
"1472377"	497.142347	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H+Na"	23.996494
"1062339"	331.76399	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2H+Na"	25.00377
"1267299"	1003.321686	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+CH3OH+H"	33.033486
"386971"	1979.539558	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+K"	38.963158
"749062"	2949.827758	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+K"	38.963158
"1547834"	1009.251358	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+K"	38.963158
"312302"	990.273417	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+H+K"	39.970434
"702899"	1475.417517	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+H+K"	39.970434
"1457089"	505.129317	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H+K"	39.970434
"246417"	1982.610226	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+ACN+H"	42.033826
"1219127"	1012.322026	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+ACN+H"	42.033826
"1198634"	506.664651	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+ACN+2H"	43.041102
"190776"	1985.54756	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+2Na-H"	44.97116
"634344"	2955.83576	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+2Na-H"	44.97116
"1141130"	1015.25936	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2Na-H"	44.97116
"180046"	993.277418	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+2Na"	45.978436
"619607"	1478.421518	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+2Na"	45.978436
"1120927"	508.133318	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2Na"	45.978436
"1407732"	339.091304	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H+2Na"	46.985712
"1434380"	1017.300946	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H+HCOOH"	47.012746
"220349"	998.31044	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+3H2O+2H"	56.04448
"1508981"	1031.35299	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+IsoProp+H"	61.06479
"410732"	1001.264388	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+Na+K"	61.952376
"772094"	1486.408488	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+Na+K"	61.952376
"1671341"	516.120288	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Na+K"	61.952376
"258954"	2004.592168	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+ACN+Na"	64.015768
"1233850"	1034.303968	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+ACN+Na"	64.015768
"1718366"	1034.327493	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+NH4+HCOOH"	64.039293
"1185913"	346.418618	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+3Na"	68.967654
"1657991"	1039.282888	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Na+HCOOH"	68.994688
"167039"	2017.49544	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+2K-H"	76.91904
"605508"	2987.78364	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+2K-H"	76.91904
"1094394"	1047.20724	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2K-H"	76.91904
"153396"	1009.251358	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"2M+2K"	77.926316
"589679"	1494.395458	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"3M+2K"	77.926316
"1078563"	524.107258	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2K"	77.926316
"1108490"	1049.221792	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2K+H"	78.933592
"1347064"	1049.309407	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+DMSO+H"	79.021207
"1016689"	1053.348576	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2ACN+H"	83.060376
"1535906"	1054.342208	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+IsoProp+Na+H"	84.054008
"1001260"	527.177926	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+2ACN+2H"	84.067652
"1599045"	1055.256828	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+K+HCOOH"	84.968628
"1423610"	1085.288338	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+H+CF3COOH"	115.000138
"1152807"	547.691201	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+3ACN+2H"	125.094202
"1704544"	1102.314885	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+NH4+CF3COOH"	132.026685
"1645662"	1107.27028	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+Na+CF3COOH"	136.98208
"1576942"	1123.24422	"C11502"	"Mycothione"	"C34H58N4O24S2"	"970.2882"	"M+K+CF3COOH"	152.95602
"816059"	161.0477	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M"	0
"989600"	142.02931	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-H2O-H"	-19.01839
"77470"	106.357857333333	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M-3H"	-3.021828
"518329"	160.040424	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M-3H"	-3.021828
"894840"	52.6752906666667	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-3H"	-3.021828
"14628"	160.040424	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M-2H"	-2.014552
"455326"	240.564274	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M-2H"	-2.014552
"832237"	79.516574	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-2H"	-2.014552
"93444"	321.088124	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M-H"	-1.007276
"531787"	482.135824	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M-H"	-1.007276
"906309"	160.040424	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-H"	-1.007276
"58497"	338.114671	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M-2H+NH4"	16.019271
"501464"	499.162371	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M-2H+NH4"	16.019271
"879266"	177.066971	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-2H+NH4"	16.019271
"43760"	343.070066	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M-2H+Na"	20.974666
"485880"	504.117766	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M-2H+Na"	20.974666
"862218"	182.022366	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-2H+Na"	20.974666
"1631021"	182.022366	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Na-2H"	20.974666
"109620"	178.028763	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M-H+Cl"	33.962126
"547475"	258.552613	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M-H+Cl"	33.962126
"939896"	97.504913	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-H+Cl"	33.962126
"282349"	357.064802	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+Cl"	34.969402
"673433"	518.112502	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+Cl"	34.969402
"1286202"	196.017102	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Cl"	34.969402
"31323"	359.044006	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M-2H+K"	36.948606
"471301"	520.091706	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M-2H+K"	36.948606
"848349"	197.996306	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-2H+K"	36.948606
"1571161"	197.996306	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+K-2H"	36.948606
"953842"	206.045894	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-H+HCOOH"	44.998194
"376561"	367.093601	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+HCOOH-H"	44.998201
"360931"	381.109251	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+Hac-H"	59.013851
"1506239"	220.061551	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Hac-H"	59.013851
"972570"	228.027851	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-H+NaCOOH"	66.980151
"123785"	196.017102	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+2Cl"	69.938804
"563346"	276.540952	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+2Cl"	69.938804
"1035063"	115.493252	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2Cl"	69.938804
"1254639"	239.966585	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Br"	78.918885
"1317811"	242.022572	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Cl+HCOOH"	80.974872
"1333851"	264.004529	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Cl+NaCOOH"	102.956829
"926008"	274.033286	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M-H+CF3COOH"	112.985586
"1304095"	310.009964	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Cl+CF3COOH"	148.962264
"1379779"	126.035024	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H-2H2O"	-35.012676
"1398187"	144.045	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H-H2O"	-17.0027
"297834"	323.102676	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+H"	1.007276
"690492"	484.150376	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+H"	1.007276
"1366477"	162.054976	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H"	1.007276
"140702"	162.054976	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+2H"	2.014552
"578559"	242.578826	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+2H"	2.014552
"1051974"	81.531126	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2H"	2.014552
"217080"	108.372409333333	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+3H"	3.021828
"657002"	162.054976	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+3H"	3.021828
"1174397"	54.6898426666667	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+3H"	3.021828
"432203"	340.129223	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+NH4"	18.033823
"795385"	501.176923	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+NH4"	18.033823
"1691722"	179.081523	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+NH4"	18.033823
"337813"	170.5682495	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+H+NH4"	19.041099
"737528"	251.0920995	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+H+NH4"	19.041099
"1488431"	90.0443995	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H+NH4"	19.041099
"408206"	345.084618	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+Na"	22.989218
"767378"	506.132318	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+Na"	22.989218
"1616205"	184.036918	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Na"	22.989218
"325148"	173.045947	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+H+Na"	23.996494
"719757"	253.569797	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+H+Na"	23.996494
"1475767"	92.522097	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H+Na"	23.996494
"1064642"	62.0171566666667	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2H+Na"	25.00377
"1271421"	194.081186	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+CH3OH+H"	33.033486
"388176"	361.058558	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+K"	38.963158
"750265"	522.106258	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+K"	38.963158
"1553414"	200.010858	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+K"	38.963158
"313143"	181.032917	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+H+K"	39.970434
"701915"	261.556767	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+H+K"	39.970434
"1459020"	100.509067	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H+K"	39.970434
"248352"	364.129226	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+ACN+H"	42.033826
"1223608"	203.081526	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+ACN+H"	42.033826
"1199840"	102.044401	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+ACN+2H"	43.041102
"189430"	367.06656	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+2Na-H"	44.97116
"631174"	528.11426	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+2Na-H"	44.97116
"1134682"	206.01886	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2Na-H"	44.97116
"173596"	184.036918	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+2Na"	45.978436
"614372"	264.560768	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+2Na"	45.978436
"1128330"	103.513068	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2Na"	45.978436
"1405656"	69.3444706666667	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H+2Na"	46.985712
"1430481"	208.060446	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H+HCOOH"	47.012746
"221151"	189.06994	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+3H2O+2H"	56.04448
"1516626"	222.11249	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+IsoProp+H"	61.06479
"414122"	192.023888	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+Na+K"	61.952376
"777308"	272.547738	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+Na+K"	61.952376
"1673639"	111.500038	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Na+K"	61.952376
"262345"	386.111168	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+ACN+Na"	64.015768
"1236148"	225.063468	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+ACN+Na"	64.015768
"1723943"	225.086993	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+NH4+HCOOH"	64.039293
"1186023"	76.6717846666667	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+3Na"	68.967654
"1658101"	230.042388	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Na+HCOOH"	68.994688
"167149"	399.01444	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+2K-H"	76.91904
"605618"	560.06214	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+2K-H"	76.91904
"1095596"	237.96674	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2K-H"	76.91904
"153505"	200.010858	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"2M+2K"	77.926316
"591974"	280.534708	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"3M+2K"	77.926316
"1078673"	119.487008	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2K"	77.926316
"1108601"	239.981292	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2K+H"	78.933592
"1348267"	240.068907	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+DMSO+H"	79.021207
"1017891"	244.108076	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2ACN+H"	83.060376
"1537718"	245.101708	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+IsoProp+Na+H"	84.054008
"1003557"	122.557676	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+2ACN+2H"	84.067652
"1594781"	246.016328	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+K+HCOOH"	84.968628
"1428461"	276.047838	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+H+CF3COOH"	115.000138
"1160572"	143.070951	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+3ACN+2H"	125.094202
"1703560"	293.074385	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+NH4+CF3COOH"	132.026685
"1642492"	298.02978	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+Na+CF3COOH"	136.98208
"1577052"	314.00372	"C11503"	"3-Hydroxy-1H-quinolin-4-one"	"C9H7NO2"	"161.0477"	"M+K+CF3COOH"	152.95602
"815803"	175.0633	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M"	0
"989760"	156.04491	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-H2O-H"	-19.01839
"71382"	115.701590666667	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M-3H"	-3.021828
"517998"	174.056024	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M-3H"	-3.021828
"895452"	57.3471573333333	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-3H"	-3.021828
"14615"	174.056024	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M-2H"	-2.014552
"455475"	261.587674	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M-2H"	-2.014552
"832225"	86.524374	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-2H"	-2.014552
"94000"	349.119324	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M-H"	-1.007276
"529710"	524.182624	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M-H"	-1.007276
"906419"	174.056024	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-H"	-1.007276
"57512"	366.145871	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M-2H+NH4"	16.019271
"499990"	541.209171	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M-2H+NH4"	16.019271
"875968"	191.082571	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-2H+NH4"	16.019271
"43869"	371.101266	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M-2H+Na"	20.974666
"484523"	546.164566	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M-2H+Na"	20.974666
"861234"	196.037966	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-2H+Na"	20.974666
"1632710"	196.037966	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Na-2H"	20.974666
"109121"	192.044363	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M-H+Cl"	33.962126
"549042"	279.576013	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M-H+Cl"	33.962126
"941465"	104.512713	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-H+Cl"	33.962126
"281002"	385.096002	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+Cl"	34.969402
"672091"	560.159302	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+Cl"	34.969402
"1285952"	210.032702	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Cl"	34.969402
"31139"	387.075206	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M-2H+K"	36.948606
"470936"	562.138506	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M-2H+K"	36.948606
"848461"	212.011906	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-2H+K"	36.948606
"1571298"	212.011906	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+K-2H"	36.948606
"955048"	220.061494	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-H+HCOOH"	44.998194
"376635"	395.124801	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+HCOOH-H"	44.998201
"360638"	409.140451	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+Hac-H"	59.013851
"1507569"	234.077151	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Hac-H"	59.013851
"972679"	242.043451	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-H+NaCOOH"	66.980151
"124867"	210.032702	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+2Cl"	69.938804
"563822"	297.564352	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+2Cl"	69.938804
"1035538"	122.501052	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2Cl"	69.938804
"1255843"	253.982185	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Br"	78.918885
"1319820"	256.038172	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Cl+HCOOH"	80.974872
"1334690"	278.020129	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Cl+NaCOOH"	102.956829
"927012"	288.048886	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M-H+CF3COOH"	112.985586
"1301732"	324.025564	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Cl+CF3COOH"	148.962264
"1382079"	140.050624	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H-2H2O"	-35.012676
"1398100"	158.0606	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H-H2O"	-17.0027
"297452"	351.133876	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+H"	1.007276
"690237"	526.197176	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+H"	1.007276
"1366547"	176.070576	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H"	1.007276
"140571"	176.070576	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+2H"	2.014552
"580128"	263.602226	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+2H"	2.014552
"1051841"	88.538926	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2H"	2.014552
"218287"	117.716142666667	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+3H"	3.021828
"657115"	176.070576	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+3H"	3.021828
"1174510"	59.3617093333333	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+3H"	3.021828
"434501"	368.160423	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+NH4"	18.033823
"792215"	543.223723	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+NH4"	18.033823
"1690739"	193.097123	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+NH4"	18.033823
"341205"	184.5838495	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+H+NH4"	19.041099
"737639"	272.1154995	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+H+NH4"	19.041099
"1492397"	97.0521995	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H+NH4"	19.041099
"408202"	373.115818	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+Na"	22.989218
"769438"	548.179118	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+Na"	22.989218
"1618107"	198.052518	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Na"	22.989218
"329806"	187.061547	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+H+Na"	23.996494
"722631"	274.593197	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+H+Na"	23.996494
"1476977"	99.529897	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H+Na"	23.996494
"1066577"	66.6890233333333	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2H+Na"	25.00377
"1271534"	208.096786	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+CH3OH+H"	33.033486
"392296"	389.089758	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+K"	38.963158
"751467"	564.153058	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+K"	38.963158
"1555576"	214.026458	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+K"	38.963158
"313493"	195.048517	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+H+K"	39.970434
"703846"	282.580167	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+H+K"	39.970434
"1460225"	107.516867	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H+K"	39.970434
"249919"	392.160426	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+ACN+H"	42.033826
"1223722"	217.097126	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+ACN+H"	42.033826
"1199951"	109.052201	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+ACN+2H"	43.041102
"190636"	395.09776	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+2Na-H"	44.97116
"629708"	570.16106	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+2Na-H"	44.97116
"1140260"	220.03446	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2Na-H"	44.97116
"182457"	198.052518	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+2Na"	45.978436
"620925"	285.584168	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+2Na"	45.978436
"1128442"	110.520868	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2Na"	45.978436
"1413422"	74.0163373333333	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H+2Na"	46.985712
"1436791"	222.076046	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H+HCOOH"	47.012746
"227580"	203.08554	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+3H2O+2H"	56.04448
"1518925"	236.12809	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+IsoProp+H"	61.06479
"418610"	206.039488	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+Na+K"	61.952376
"784710"	293.571138	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+Na+K"	61.952376
"1679582"	118.507838	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Na+K"	61.952376
"265373"	414.142368	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+ACN+Na"	64.015768
"1237352"	239.079068	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+ACN+Na"	64.015768
"1725148"	239.102593	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+NH4+HCOOH"	64.039293
"1186134"	81.3436513333333	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+3Na"	68.967654
"1657120"	244.057988	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Na+HCOOH"	68.994688
"167262"	427.04564	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+2K-H"	76.91904
"611197"	602.10894	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+2K-H"	76.91904
"1098260"	251.98234	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2K-H"	76.91904
"154708"	214.026458	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"2M+2K"	77.926316
"590989"	301.558108	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"3M+2K"	77.926316
"1077688"	126.494808	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2K"	77.926316
"1109804"	253.996892	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2K+H"	78.933592
"1348377"	254.084507	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+DMSO+H"	79.021207
"1018974"	258.123676	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2ACN+H"	83.060376
"1536126"	259.117308	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+IsoProp+Na+H"	84.054008
"1004885"	129.565476	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+2ACN+2H"	84.067652
"1601333"	260.031928	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+K+HCOOH"	84.968628
"1428936"	290.063438	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+H+CF3COOH"	115.000138
"1160682"	150.078751	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+3ACN+2H"	125.094202
"1705857"	307.089985	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+NH4+CF3COOH"	132.026685
"1642602"	312.04538	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+Na+CF3COOH"	136.98208
"1577162"	328.01932	"C11504"	"3-Hydroxy-2-methyl-1H-quinolin-4-one"	"C10H9NO2"	"175.0633"	"M+K+CF3COOH"	152.95602
"812997"	42.047	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M"	0
"988722"	23.02861	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-H2O-H"	-19.01839
"70399"	27.0240573333333	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M-3H"	-3.021828
"514341"	41.039724	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M-3H"	-3.021828
"891777"	13.0083906666667	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-3H"	-3.021828
"14359"	41.039724	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M-2H"	-2.014552
"454284"	62.063224	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M-2H"	-2.014552
"831600"	20.016224	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-2H"	-2.014552
"92448"	83.086724	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M-H"	-1.007276
"533463"	125.133724	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M-H"	-1.007276
"905434"	41.039724	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-H"	-1.007276
"48874"	100.113271	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M-2H+NH4"	16.019271
"501069"	142.160271	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M-2H+NH4"	16.019271
"872796"	58.066271	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-2H+NH4"	16.019271
"35231"	105.068666	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M-2H+Na"	20.974666
"475154"	147.115666	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M-2H+Na"	20.974666
"859155"	63.021666	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-2H+Na"	20.974666
"1629782"	63.021666	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Na-2H"	20.974666
"109433"	59.028063	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M-H+Cl"	33.962126
"543685"	80.051563	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M-H+Cl"	33.962126
"939387"	38.004563	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-H+Cl"	33.962126
"280869"	119.063402	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+Cl"	34.969402
"674022"	161.110402	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+Cl"	34.969402
"1287875"	77.016402	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Cl"	34.969402
"30756"	121.042606	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M-2H+K"	36.948606
"469261"	163.089606	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M-2H+K"	36.948606
"846336"	78.995606	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-2H+K"	36.948606
"1569095"	78.995606	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+K-2H"	36.948606
"955158"	87.045194	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-H+HCOOH"	44.998194
"376415"	129.092201	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+HCOOH-H"	44.998201
"359080"	143.107851	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+Hac-H"	59.013851
"1507189"	101.060851	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Hac-H"	59.013851
"973635"	109.027151	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-H+NaCOOH"	66.980151
"125216"	77.016402	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+2Cl"	69.938804
"564900"	98.039902	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+2Cl"	69.938804
"1036375"	55.992902	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2Cl"	69.938804
"1255585"	120.965885	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Br"	78.918885
"1317667"	123.021872	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Cl+HCOOH"	80.974872
"1334072"	145.003829	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Cl+NaCOOH"	102.956829
"922213"	155.032586	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M-H+CF3COOH"	112.985586
"1301110"	191.009264	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Cl+CF3COOH"	148.962264
"1379999"	7.034324	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H-2H2O"	-35.012676
"1395314"	25.0443	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H-H2O"	-17.0027
"298499"	85.101276	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+H"	1.007276
"691242"	127.148276	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+H"	1.007276
"1366330"	43.054276	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H"	1.007276
"140921"	43.054276	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+2H"	2.014552
"579875"	64.077776	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+2H"	2.014552
"1047938"	22.030776	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2H"	2.014552
"217304"	29.0386093333333	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+3H"	3.021828
"659047"	43.054276	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+3H"	3.021828
"1174620"	15.0229426666667	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+3H"	3.021828
"434611"	102.127823	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+NH4"	18.033823
"794512"	144.174823	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+NH4"	18.033823
"1685382"	60.080823	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+NH4"	18.033823
"334753"	51.5675495	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+H+NH4"	19.041099
"736288"	72.5910495	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+H+NH4"	19.041099
"1489743"	30.5440495	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H+NH4"	19.041099
"406967"	107.083218	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+Na"	22.989218
"768935"	149.130218	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+Na"	22.989218
"1618261"	65.036218	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Na"	22.989218
"328408"	54.045247	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+H+Na"	23.996494
"719736"	75.068747	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+H+Na"	23.996494
"1475866"	33.021747	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H+Na"	23.996494
"1067655"	22.3502566666667	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2H+Na"	25.00377
"1271884"	75.080486	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+CH3OH+H"	33.033486
"389487"	123.057158	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+K"	38.963158
"753034"	165.104158	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+K"	38.963158
"1552535"	81.010158	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+K"	38.963158
"311899"	62.032217	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+H+K"	39.970434
"699945"	83.055717	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+H+K"	39.970434
"1460579"	41.008717	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H+K"	39.970434
"248935"	126.127826	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+ACN+H"	42.033826
"1222374"	84.080826	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+ACN+H"	42.033826
"1205527"	42.544051	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+ACN+2H"	43.041102
"190746"	129.06516	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+2Na-H"	44.97116
"628803"	171.11216	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+2Na-H"	44.97116
"1137090"	87.01816	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2Na-H"	44.97116
"181473"	65.036218	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+2Na"	45.978436
"616661"	86.059718	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+2Na"	45.978436
"1126728"	44.012718	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2Na"	45.978436
"1408062"	29.6775706666667	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H+2Na"	46.985712
"1436899"	89.059746	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H+HCOOH"	47.012746
"230968"	70.06924	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+3H2O+2H"	56.04448
"1521220"	103.11179	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+IsoProp+H"	61.06479
"414346"	73.023188	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+Na+K"	61.952376
"778621"	94.046688	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+Na+K"	61.952376
"1673857"	51.999688	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Na+K"	61.952376
"265119"	148.109768	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+ACN+Na"	64.015768
"1238555"	106.062768	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+ACN+Na"	64.015768
"1724163"	106.086293	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+NH4+HCOOH"	64.039293
"1189524"	37.0048846666667	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+3Na"	68.967654
"1657230"	111.041688	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Na+HCOOH"	68.994688
"168465"	161.01304	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+2K-H"	76.91904
"610213"	203.06004	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+2K-H"	76.91904
"1096909"	118.96604	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2K-H"	76.91904
"151538"	81.010158	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"2M+2K"	77.926316
"590006"	102.033658	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"3M+2K"	77.926316
"1075612"	59.986658	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2K"	77.926316
"1108821"	120.980592	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2K+H"	78.933592
"1345206"	121.068207	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+DMSO+H"	79.021207
"1014830"	125.107376	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2ACN+H"	83.060376
"1532955"	126.101008	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+IsoProp+Na+H"	84.054008
"1002683"	63.057326	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+2ACN+2H"	84.067652
"1593907"	127.015628	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+K+HCOOH"	84.968628
"1426126"	157.047138	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+H+CF3COOH"	115.000138
"1157508"	83.570601	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+3ACN+2H"	125.094202
"1701594"	174.073685	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+NH4+CF3COOH"	132.026685
"1637244"	179.02908	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+Na+CF3COOH"	136.98208
"1572046"	195.00302	"C11505"	"Propylene;Propene"	"C3H6"	"42.047"	"M+K+CF3COOH"	152.95602
"813107"	58.0419	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M"	0
"988103"	39.02351	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H2O-H"	-19.01839
"69416"	37.687324	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-3H"	-3.021828
"514451"	57.034624	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-3H"	-3.021828
"892979"	18.340024	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-3H"	-3.021828
"13010"	57.034624	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H"	-2.014552
"452205"	86.055574	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H"	-2.014552
"830981"	28.013674	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H"	-2.014552
"93162"	115.076524	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-H"	-1.007276
"529924"	173.118424	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-H"	-1.007276
"905542"	57.034624	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H"	-1.007276
"48984"	132.103071	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H+NH4"	16.019271
"499601"	190.144971	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H+NH4"	16.019271
"872906"	74.061171	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H+NH4"	16.019271
"40809"	137.058466	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H+Na"	20.974666
"478182"	195.100366	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H+Na"	20.974666
"859265"	79.016566	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H+Na"	20.974666
"1629892"	79.016566	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na-2H"	20.974666
"109098"	75.022963	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-H+Cl"	33.962126
"543795"	104.043913	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-H+Cl"	33.962126
"938404"	46.002013	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+Cl"	33.962126
"280251"	151.053202	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Cl"	34.969402
"674132"	209.095102	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+Cl"	34.969402
"1286775"	93.011302	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl"	34.969402
"30788"	153.032406	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H+K"	36.948606
"469737"	211.074306	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H+K"	36.948606
"844988"	94.990506	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H+K"	36.948606
"1568112"	94.990506	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K-2H"	36.948606
"955997"	103.040094	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+HCOOH"	44.998194
"376404"	161.082001	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+HCOOH-H"	44.998201
"358462"	175.097651	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Hac-H"	59.013851
"1507661"	117.055751	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Hac-H"	59.013851
"971198"	125.022051	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+NaCOOH"	66.980151
"124115"	93.011302	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2Cl"	69.938804
"564528"	122.032252	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2Cl"	69.938804
"1036893"	63.990352	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2Cl"	69.938804
"1255941"	136.960785	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Br"	78.918885
"1317413"	139.016772	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl+HCOOH"	80.974872
"1335241"	160.998729	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl+NaCOOH"	102.956829
"921959"	171.027486	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+CF3COOH"	112.985586
"1302313"	207.004164	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl+CF3COOH"	148.962264
"1380473"	23.029224	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H-2H2O"	-35.012676
"1395426"	41.0392	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H-H2O"	-17.0027
"298498"	117.091076	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H"	1.007276
"690456"	175.132976	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H"	1.007276
"1362063"	59.049176	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H"	1.007276
"140908"	59.049176	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2H"	2.014552
"581077"	88.070126	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2H"	2.014552
"1049506"	30.028226	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2H"	2.014552
"215955"	39.701876	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+3H"	3.021828
"657335"	59.049176	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+3H"	3.021828
"1174730"	20.354576	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+3H"	3.021828
"435450"	134.117623	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+NH4"	18.033823
"794622"	192.159523	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+NH4"	18.033823
"1682576"	76.075723	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+NH4"	18.033823
"340329"	67.5624495	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H+NH4"	19.041099
"730565"	96.5833995	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H+NH4"	19.041099
"1489853"	38.5414995	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+NH4"	19.041099
"403065"	139.073018	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Na"	22.989218
"769170"	197.114918	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+Na"	22.989218
"1616540"	81.031118	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na"	22.989218
"328397"	70.040147	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H+Na"	23.996494
"720818"	99.061097	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H+Na"	23.996494
"1475369"	41.019197	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+Na"	23.996494
"1066792"	27.68189	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2H+Na"	25.00377
"1268836"	91.075386	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+CH3OH+H"	33.033486
"389597"	155.046958	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+K"	38.963158
"752294"	213.088858	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+K"	38.963158
"1551552"	97.005058	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K"	38.963158
"312738"	78.027117	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H+K"	39.970434
"700055"	107.048067	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H+K"	39.970434
"1459958"	49.006167	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+K"	39.970434
"244672"	158.117626	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+ACN+H"	42.033826
"1218475"	100.075726	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+ACN+H"	42.033826
"1200170"	50.541501	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+ACN+2H"	43.041102
"188665"	161.05496	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2Na-H"	44.97116
"629681"	219.09686	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2Na-H"	44.97116
"1133920"	103.01306	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2Na-H"	44.97116
"178303"	81.031118	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2Na"	45.978436
"616771"	110.052068	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2Na"	45.978436
"1119548"	52.010168	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2Na"	45.978436
"1398492"	35.009204	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+2Na"	46.985712
"1432635"	105.054646	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+HCOOH"	47.012746
"226704"	86.06414	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+3H2O+2H"	56.04448
"1516956"	119.10669	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+IsoProp+H"	61.06479
"412269"	89.018088	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Na+K"	61.952376
"776543"	118.039038	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+Na+K"	61.952376
"1671780"	59.997138	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na+K"	61.952376
"261583"	180.099568	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+ACN+Na"	64.015768
"1238665"	122.057668	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+ACN+Na"	64.015768
"1724273"	122.081193	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+NH4+HCOOH"	64.039293
"1188540"	42.336518	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+3Na"	68.967654
"1655152"	127.036588	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na+HCOOH"	68.994688
"170761"	193.00284	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2K-H"	76.91904
"607043"	251.04474	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2K-H"	76.91904
"1094832"	134.96094	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2K-H"	76.91904
"151648"	97.005058	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2K"	77.926316
"589023"	126.026008	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2K"	77.926316
"1076815"	67.984108	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2K"	77.926316
"1106743"	136.975492	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2K+H"	78.933592
"1343129"	137.063107	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+DMSO+H"	79.021207
"1013844"	141.102276	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2ACN+H"	83.060376
"1530877"	142.095908	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+IsoProp+Na+H"	84.054008
"1000606"	71.054776	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2ACN+2H"	84.067652
"1594017"	143.010528	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K+HCOOH"	84.968628
"1421862"	173.042038	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+CF3COOH"	115.000138
"1159805"	91.568051	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+3ACN+2H"	125.094202
"1704983"	190.068585	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+NH4+CF3COOH"	132.026685
"1638447"	195.02398	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na+CF3COOH"	136.98208
"1573007"	210.99792	"C11506"	"(2R)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K+CF3COOH"	152.95602
"813217"	58.0419	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M"	0
"988214"	39.02351	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H2O-H"	-19.01839
"69526"	37.687324	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-3H"	-3.021828
"514561"	57.034624	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-3H"	-3.021828
"891632"	18.340024	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-3H"	-3.021828
"14579"	57.034624	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H"	-2.014552
"453774"	86.055574	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H"	-2.014552
"832064"	28.013674	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H"	-2.014552
"91568"	115.076524	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-H"	-1.007276
"530034"	173.118424	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-H"	-1.007276
"905652"	57.034624	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H"	-1.007276
"49094"	132.103071	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H+NH4"	16.019271
"495214"	190.144971	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H+NH4"	16.019271
"869736"	74.061171	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H+NH4"	16.019271
"40919"	137.058466	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H+Na"	20.974666
"478292"	195.100366	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H+Na"	20.974666
"856095"	79.016566	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H+Na"	20.974666
"1624535"	79.016566	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na-2H"	20.974666
"106534"	75.022963	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-H+Cl"	33.962126
"540624"	104.043913	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-H+Cl"	33.962126
"934140"	46.002013	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+Cl"	33.962126
"279996"	151.053202	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Cl"	34.969402
"672419"	209.095102	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+Cl"	34.969402
"1285549"	93.011302	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl"	34.969402
"26641"	153.032406	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M-2H+K"	36.948606
"469482"	211.074306	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M-2H+K"	36.948606
"845825"	94.990506	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-2H+K"	36.948606
"1569678"	94.990506	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K-2H"	36.948606
"956471"	103.040094	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+HCOOH"	44.998194
"374693"	161.082001	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+HCOOH-H"	44.998201
"357477"	175.097651	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Hac-H"	59.013851
"1505218"	117.055751	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Hac-H"	59.013851
"971308"	125.022051	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+NaCOOH"	66.980151
"123861"	93.011302	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2Cl"	69.938804
"563422"	122.032252	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2Cl"	69.938804
"1036595"	63.990352	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2Cl"	69.938804
"1255080"	136.960785	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Br"	78.918885
"1317161"	139.016772	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl+HCOOH"	80.974872
"1332834"	160.998729	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl+NaCOOH"	102.956829
"923890"	171.027486	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M-H+CF3COOH"	112.985586
"1300967"	207.004164	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Cl+CF3COOH"	148.962264
"1378761"	23.029224	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H-2H2O"	-35.012676
"1395163"	41.0392	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H-H2O"	-17.0027
"297783"	117.091076	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H"	1.007276
"690445"	175.132976	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H"	1.007276
"1366550"	59.049176	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H"	1.007276
"138716"	59.049176	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2H"	2.014552
"580702"	88.070126	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2H"	2.014552
"1048523"	30.028226	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2H"	2.014552
"218133"	39.701876	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+3H"	3.021828
"658174"	59.049176	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+3H"	3.021828
"1177394"	20.354576	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+3H"	3.021828
"435924"	134.117623	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+NH4"	18.033823
"799108"	192.159523	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+NH4"	18.033823
"1682322"	76.075723	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+NH4"	18.033823
"340439"	67.5624495	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H+NH4"	19.041099
"730675"	96.5833995	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H+NH4"	19.041099
"1489962"	38.5414995	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+NH4"	19.041099
"403175"	139.073018	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Na"	22.989218
"769282"	197.114918	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+Na"	22.989218
"1617380"	81.031118	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na"	22.989218
"328508"	70.040147	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H+Na"	23.996494
"722023"	99.061097	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H+Na"	23.996494
"1475117"	41.019197	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+Na"	23.996494
"1066175"	27.68189	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2H+Na"	25.00377
"1270041"	91.075386	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+CH3OH+H"	33.033486
"391529"	155.046958	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+K"	38.963158
"752525"	213.088858	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+K"	38.963158
"1554823"	97.005058	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K"	38.963158
"312121"	78.027117	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+H+K"	39.970434
"705269"	107.048067	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+H+K"	39.970434
"1459825"	49.006167	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+K"	39.970434
"242595"	158.117626	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+ACN+H"	42.033826
"1215305"	100.075726	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+ACN+H"	42.033826
"1202467"	50.541501	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+ACN+2H"	43.041102
"188895"	161.05496	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2Na-H"	44.97116
"629793"	219.09686	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2Na-H"	44.97116
"1132208"	103.01306	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2Na-H"	44.97116
"181693"	81.031118	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2Na"	45.978436
"616880"	110.052068	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2Na"	45.978436
"1122574"	52.010168	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2Na"	45.978436
"1400263"	35.009204	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+2Na"	46.985712
"1432745"	105.054646	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+HCOOH"	47.012746
"225721"	86.06414	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+3H2O+2H"	56.04448
"1517066"	119.10669	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+IsoProp+H"	61.06479
"417847"	89.018088	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+Na+K"	61.952376
"778841"	118.039038	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+Na+K"	61.952376
"1668610"	59.997138	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na+K"	61.952376
"260600"	180.099568	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+ACN+Na"	64.015768
"1237319"	122.057668	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+ACN+Na"	64.015768
"1725478"	122.081193	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+NH4+HCOOH"	64.039293
"1190838"	42.336518	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+3Na"	68.967654
"1659637"	127.036588	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na+HCOOH"	68.994688
"167593"	193.00284	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2K-H"	76.91904
"610433"	251.04474	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2K-H"	76.91904
"1096035"	134.96094	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2K-H"	76.91904
"153945"	97.005058	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"2M+2K"	77.926316
"590226"	126.026008	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"3M+2K"	77.926316
"1075832"	67.984108	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2K"	77.926316
"1107946"	136.975492	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2K+H"	78.933592
"1341053"	137.063107	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+DMSO+H"	79.021207
"1011767"	141.102276	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2ACN+H"	83.060376
"1529894"	142.095908	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+IsoProp+Na+H"	84.054008
"1001810"	71.054776	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+2ACN+2H"	84.067652
"1594127"	143.010528	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K+HCOOH"	84.968628
"1423067"	173.042038	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+H+CF3COOH"	115.000138
"1152262"	91.568051	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+3ACN+2H"	125.094202
"1701812"	190.068585	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+NH4+CF3COOH"	132.026685
"1637464"	195.02398	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+Na+CF3COOH"	136.98208
"1572024"	210.99792	"C11507"	"(S)-12-Epoxypropane"	"C3H6O"	"58.0419"	"M+K+CF3COOH"	152.95602
"816610"	410.3549	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M"	0
"988688"	391.33651	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-H2O-H"	-19.01839
"76563"	272.562657333333	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M-3H"	-3.021828
"514671"	409.347624	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M-3H"	-3.021828
"890284"	135.777690666667	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-3H"	-3.021828
"11047"	409.347624	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M-2H"	-2.014552
"452791"	614.525074	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M-2H"	-2.014552
"830593"	204.170174	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-2H"	-2.014552
"90585"	819.702524	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M-H"	-1.007276
"533062"	1230.057424	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M-H"	-1.007276
"905764"	409.347624	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-H"	-1.007276
"57951"	836.729071	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M-2H+NH4"	16.019271
"501521"	1247.083971	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M-2H+NH4"	16.019271
"878591"	426.374171	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-2H+NH4"	16.019271
"43216"	841.684466	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M-2H+Na"	20.974666
"481687"	1252.039366	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M-2H+Na"	20.974666
"856206"	431.329566	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-2H+Na"	20.974666
"1623552"	431.329566	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Na-2H"	20.974666
"105551"	427.335963	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M-H+Cl"	33.962126
"539641"	632.513413	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M-H+Cl"	33.962126
"934250"	222.158513	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-H+Cl"	33.962126
"278277"	855.679202	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+Cl"	34.969402
"673258"	1266.034102	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+Cl"	34.969402
"1286025"	445.324302	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Cl"	34.969402
"27848"	857.658406	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M-2H+K"	36.948606
"468499"	1268.013306	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M-2H+K"	36.948606
"844113"	447.303506	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-2H+K"	36.948606
"1569789"	447.303506	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+K-2H"	36.948606
"957676"	455.353094	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-H+HCOOH"	44.998194
"375165"	865.708001	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+HCOOH-H"	44.998201
"358683"	879.723651	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+Hac-H"	59.013851
"1506060"	469.368751	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Hac-H"	59.013851
"972149"	477.335051	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-H+NaCOOH"	66.980151
"123972"	445.324302	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+2Cl"	69.938804
"563532"	650.501752	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+2Cl"	69.938804
"1036346"	240.146852	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2Cl"	69.938804
"1256286"	489.273785	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Br"	78.918885
"1319462"	491.329772	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Cl+HCOOH"	80.974872
"1330391"	513.311729	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Cl+NaCOOH"	102.956829
"921814"	523.340486	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M-H+CF3COOH"	112.985586
"1298155"	559.317164	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Cl+CF3COOH"	148.962264
"1378867"	375.342224	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H-2H2O"	-35.012676
"1393451"	393.3522	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H-H2O"	-17.0027
"298367"	821.717076	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+H"	1.007276
"691002"	1232.071976	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+H"	1.007276
"1366928"	411.362176	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H"	1.007276
"140766"	411.362176	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+2H"	2.014552
"580936"	616.539626	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+2H"	2.014552
"1052525"	206.184726	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2H"	2.014552
"219828"	274.577209333333	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+3H"	3.021828
"659377"	411.362176	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+3H"	3.021828
"1174220"	137.792242666667	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+3H"	3.021828
"435306"	838.743623	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+NH4"	18.033823
"795937"	1249.098523	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+NH4"	18.033823
"1691179"	428.388723	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+NH4"	18.033823
"343468"	419.8754495	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+H+NH4"	19.041099
"736618"	625.0528995	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+H+NH4"	19.041099
"1490073"	214.6979995	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H+NH4"	19.041099
"406202"	843.699018	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+Na"	22.989218
"769514"	1254.053918	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+Na"	22.989218
"1617250"	433.344118	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Na"	22.989218
"329273"	422.353147	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+H+Na"	23.996494
"722266"	627.530597	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+H+Na"	23.996494
"1476199"	217.175697	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H+Na"	23.996494
"1067378"	145.119556666667	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2H+Na"	25.00377
"1271244"	443.388386	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+CH3OH+H"	33.033486
"392370"	859.672958	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+K"	38.963158
"751906"	1270.027858	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+K"	38.963158
"1553960"	449.318058	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+K"	38.963158
"312231"	430.340117	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+H+K"	39.970434
"703557"	635.517567	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+H+K"	39.970434
"1459937"	225.162667	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H+K"	39.970434
"243799"	862.743626	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+ACN+H"	42.033826
"1219789"	452.388726	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+ACN+H"	42.033826
"1201487"	226.698001	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+ACN+2H"	43.041102
"195451"	865.68096	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+2Na-H"	44.97116
"631365"	1276.03586	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+2Na-H"	44.97116
"1136695"	455.32606	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2Na-H"	44.97116
"177067"	433.344118	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+2Na"	45.978436
"620273"	638.521568	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+2Na"	45.978436
"1121956"	228.166668	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2Na"	45.978436
"1410217"	152.446870666667	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H+2Na"	46.985712
"1434314"	457.367646	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H+HCOOH"	47.012746
"230936"	438.37714	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+3H2O+2H"	56.04448
"1517176"	471.41969	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+IsoProp+H"	61.06479
"419417"	441.331088	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+Na+K"	61.952376
"779319"	646.508538	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+Na+K"	61.952376
"1673826"	236.153638	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Na+K"	61.952376
"262900"	884.725568	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+ACN+Na"	64.015768
"1235974"	474.370668	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+ACN+Na"	64.015768
"1724495"	474.394193	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+NH4+HCOOH"	64.039293
"1192041"	159.774184666667	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+3Na"	68.967654
"1659747"	479.349588	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Na+HCOOH"	68.994688
"167702"	897.62884	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+2K-H"	76.91904
"608355"	1307.98374	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+2K-H"	76.91904
"1099512"	487.27394	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2K-H"	76.91904
"155149"	449.318058	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"2M+2K"	77.926316
"595321"	654.495508	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"3M+2K"	77.926316
"1080316"	244.140608	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2K"	77.926316
"1113526"	489.288492	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2K+H"	78.933592
"1347725"	489.376107	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+DMSO+H"	79.021207
"1015161"	493.415276	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2ACN+H"	83.060376
"1533286"	494.408908	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+IsoProp+Na+H"	84.054008
"1000828"	247.211276	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+2ACN+2H"	84.067652
"1597516"	495.323528	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+K+HCOOH"	84.968628
"1423178"	525.355038	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+H+CF3COOH"	115.000138
"1154559"	267.724551	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+3ACN+2H"	125.094202
"1705203"	542.381585	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+NH4+CF3COOH"	132.026685
"1637573"	547.33698	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+Na+CF3COOH"	136.98208
"1571526"	563.31092	"C11508"	"4alpha-Methyl-5alpha-ergosta-81424(28)-trien-3beta-ol;delta814 -Sterol"	"C29H46O"	"410.3549"	"M+K+CF3COOH"	152.95602
"814531"	428.3654	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M"	0
"988434"	409.34701	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-H2O-H"	-19.01839
"71933"	284.569657333333	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M-3H"	-3.021828
"514781"	427.358124	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M-3H"	-3.021828
"891487"	141.781190666667	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-3H"	-3.021828
"13340"	427.358124	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M-2H"	-2.014552
"452539"	641.540824	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M-2H"	-2.014552
"830703"	213.175424	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-2H"	-2.014552
"87416"	855.723524	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M-H"	-1.007276
"532443"	1284.088924	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M-H"	-1.007276
"902594"	427.358124	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-H"	-1.007276
"51501"	872.750071	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M-2H+NH4"	16.019271
"501994"	1301.115471	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M-2H+NH4"	16.019271
"878701"	444.384671	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-2H+NH4"	16.019271
"42962"	877.705466	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M-2H+Na"	20.974666
"482886"	1306.070866	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M-2H+Na"	20.974666
"855223"	449.340066	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-2H+Na"	20.974666
"1623662"	449.340066	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Na-2H"	20.974666
"104568"	445.346463	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M-H+Cl"	33.962126
"537565"	659.529163	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M-H+Cl"	33.962126
"933267"	231.163763	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-H+Cl"	33.962126
"277294"	891.700202	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+Cl"	34.969402
"675271"	1320.065602	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+Cl"	34.969402
"1286498"	463.334802	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Cl"	34.969402
"27958"	893.679406	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M-2H+K"	36.948606
"468609"	1322.044806	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M-2H+K"	36.948606
"843130"	465.314006	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-2H+K"	36.948606
"1566618"	465.314006	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+K-2H"	36.948606
"958149"	473.363594	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-H+HCOOH"	44.998194
"373810"	901.729001	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+HCOOH-H"	44.998201
"359521"	915.744651	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+Hac-H"	59.013851
"1506900"	487.379251	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Hac-H"	59.013851
"968609"	495.345551	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-H+NaCOOH"	66.980151
"124447"	463.334802	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+2Cl"	69.938804
"564006"	677.517502	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+2Cl"	69.938804
"1035355"	249.152102	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2Cl"	69.938804
"1254568"	507.284285	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Br"	78.918885
"1318475"	509.340272	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Cl+HCOOH"	80.974872
"1331958"	531.322229	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Cl+NaCOOH"	102.956829
"921558"	541.350986	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M-H+CF3COOH"	112.985586
"1300088"	577.327664	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Cl+CF3COOH"	148.962264
"1378613"	393.352724	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H-2H2O"	-35.012676
"1391738"	411.3627	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H-H2O"	-17.0027
"297146"	857.738076	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+H"	1.007276
"690418"	1286.103476	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+H"	1.007276
"1364944"	429.372676	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H"	1.007276
"140994"	429.372676	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+2H"	2.014552
"581287"	643.555376	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+2H"	2.014552
"1050206"	215.189976	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2H"	2.014552
"218105"	286.584209333333	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+3H"	3.021828
"656571"	429.372676	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+3H"	3.021828
"1174330"	143.795742666667	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+3H"	3.021828
"436144"	874.764623	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+NH4"	18.033823
"794952"	1303.130023	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+NH4"	18.033823
"1692382"	446.399223	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+NH4"	18.033823
"341754"	437.8859495	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+H+NH4"	19.041099
"734175"	652.0686495	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+H+NH4"	19.041099
"1489819"	223.7032495	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H+NH4"	19.041099
"403395"	879.720018	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+Na"	22.989218
"757100"	1308.085418	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+Na"	22.989218
"1618438"	451.354618	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Na"	22.989218
"329580"	440.363647	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+H+Na"	23.996494
"720425"	654.546347	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+H+Na"	23.996494
"1473150"	226.180947	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H+Na"	23.996494
"1065303"	151.123056666667	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2H+Na"	25.00377
"1270260"	461.398886	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+CH3OH+H"	33.033486
"389928"	895.693958	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+K"	38.963158
"750922"	1324.059358	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+K"	38.963158
"1552975"	467.328558	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+K"	38.963158
"313070"	448.350617	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+H+K"	39.970434
"703667"	662.533317	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+H+K"	39.970434
"1458588"	234.167917	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H+K"	39.970434
"249377"	898.764626	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+ACN+H"	42.033826
"1216617"	470.399226	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+ACN+H"	42.033826
"1203779"	235.703251	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+ACN+2H"	43.041102
"199568"	901.70196	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+2Na-H"	44.97116
"631475"	1330.06736	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+2Na-H"	44.97116
"1136440"	473.33656	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2Na-H"	44.97116
"174381"	451.354618	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+2Na"	45.978436
"617466"	665.537318	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+2Na"	45.978436
"1124980"	237.171918	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2Na"	45.978436
"1410327"	158.450370666667	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H+2Na"	46.985712
"1437340"	475.378146	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H+HCOOH"	47.012746
"230682"	456.38764	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+3H2O+2H"	56.04448
"1517286"	489.43019	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+IsoProp+H"	61.06479
"420257"	459.341588	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+Na+K"	61.952376
"780157"	673.524288	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+Na+K"	61.952376
"1672114"	245.158888	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Na+K"	61.952376
"264834"	920.746568	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+ACN+Na"	64.015768
"1238636"	492.381168	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+ACN+Na"	64.015768
"1724970"	492.404693	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+NH4+HCOOH"	64.039293
"1192151"	165.777684666667	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+3Na"	68.967654
"1657670"	497.360088	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Na+HCOOH"	68.994688
"162345"	933.64984	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+2K-H"	76.91904
"605185"	1362.01524	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+2K-H"	76.91904
"1096258"	505.28444	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2K-H"	76.91904
"150889"	467.328558	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"2M+2K"	77.926316
"590448"	681.511258	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"3M+2K"	77.926316
"1079334"	253.145858	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2K"	77.926316
"1111450"	507.298992	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2K+H"	78.933592
"1345647"	507.386607	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+DMSO+H"	79.021207
"1017458"	511.425776	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2ACN+H"	83.060376
"1531208"	512.419408	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+IsoProp+Na+H"	84.054008
"996562"	256.216526	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+2ACN+2H"	84.067652
"1596535"	513.334028	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+K+HCOOH"	84.968628
"1423288"	543.365538	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+H+CF3COOH"	115.000138
"1155763"	276.729801	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+3ACN+2H"	125.094202
"1699847"	560.392085	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+NH4+CF3COOH"	132.026685
"1637684"	565.34748	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+Na+CF3COOH"	136.98208
"1572000"	581.32142	"C11509"	"3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde"	"C29H48O2"	"428.3654"	"M+K+CF3COOH"	152.95602
"813548"	209.9406	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M"	0
"987815"	190.92221	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-H2O-H"	-19.01839
"73136"	138.953124	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M-3H"	-3.021828
"513790"	208.933324	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M-3H"	-3.021828
"891599"	68.972924	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-3H"	-3.021828
"13086"	208.933324	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M-2H"	-2.014552
"451920"	313.903624	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M-2H"	-2.014552
"829724"	103.963024	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-2H"	-2.014552
"91538"	418.873924	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M-H"	-1.007276
"532554"	628.814524	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M-H"	-1.007276
"905985"	208.933324	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-H"	-1.007276
"58171"	435.900471	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M-2H+NH4"	16.019271
"500284"	645.841071	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M-2H+NH4"	16.019271
"878936"	225.959871	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-2H+NH4"	16.019271
"41249"	440.855866	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M-2H+Na"	20.974666
"484819"	650.796466	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M-2H+Na"	20.974666
"858613"	230.915266	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-2H+Na"	20.974666
"1627052"	230.915266	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Na-2H"	20.974666
"104678"	226.921663	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M-H+Cl"	33.962126
"542049"	331.891963	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M-H+Cl"	33.962126
"935565"	121.951363	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-H+Cl"	33.962126
"277404"	454.850602	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+Cl"	34.969402
"675384"	664.791202	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+Cl"	34.969402
"1286973"	244.910002	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Cl"	34.969402
"28434"	456.829806	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M-2H+K"	36.948606
"470059"	666.770406	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M-2H+K"	36.948606
"847616"	246.889206	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-2H+K"	36.948606
"1568916"	246.889206	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+K-2H"	36.948606
"956800"	254.938794	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-H+HCOOH"	44.998194
"372827"	464.879401	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+HCOOH-H"	44.998201
"359267"	478.895051	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+Hac-H"	59.013851
"1505921"	268.954451	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Hac-H"	59.013851
"967626"	276.920751	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-H+NaCOOH"	66.980151
"124557"	244.910002	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+2Cl"	69.938804
"565618"	349.880302	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+2Cl"	69.938804
"1034009"	139.939702	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2Cl"	69.938804
"1253948"	288.859485	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Br"	78.918885
"1317853"	290.915472	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Cl+HCOOH"	80.974872
"1333161"	312.897429	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Cl+NaCOOH"	102.956829
"922031"	322.926186	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M-H+CF3COOH"	112.985586
"1298740"	358.902864	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Cl+CF3COOH"	148.962264
"1376536"	174.927924	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H-2H2O"	-35.012676
"1393303"	192.9379	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H-H2O"	-17.0027
"297867"	420.888476	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+H"	1.007276
"690409"	630.829076	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+H"	1.007276
"1364690"	210.947876	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H"	1.007276
"139038"	210.947876	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+2H"	2.014552
"577143"	315.918176	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+2H"	2.014552
"1048858"	105.977576	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2H"	2.014552
"214207"	140.967676	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+3H"	3.021828
"656317"	210.947876	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+3H"	3.021828
"1174440"	70.987476	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+3H"	3.021828
"430786"	437.915023	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+NH4"	18.033823
"786315"	647.855623	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+NH4"	18.033823
"1685933"	227.974423	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+NH4"	18.033823
"338584"	219.4611495	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+H+NH4"	19.041099
"734285"	324.4314495	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+H+NH4"	19.041099
"1490292"	114.4908495	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H+NH4"	19.041099
"403504"	442.870418	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+Na"	22.989218
"756117"	652.811018	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+Na"	22.989218
"1608225"	232.929818	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Na"	22.989218
"320451"	221.938847	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+H+Na"	23.996494
"722109"	326.909147	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+H+Na"	23.996494
"1476825"	116.968547	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H+Na"	23.996494
"1068085"	78.31479	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2H+Na"	25.00377
"1272273"	242.974086	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+CH3OH+H"	33.033486
"391132"	458.844358	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+K"	38.963158
"752127"	668.784958	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+K"	38.963158
"1549805"	248.903758	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+K"	38.963158
"313544"	229.925817	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+H+K"	39.970434
"705601"	334.896117	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+H+K"	39.970434
"1458698"	124.955517	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H+K"	39.970434
"247302"	461.915026	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+ACN+H"	42.033826
"1215999"	251.974426	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+ACN+H"	42.033826
"1203889"	126.490851	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+ACN+2H"	43.041102
"198947"	464.85236	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+2Na-H"	44.97116
"629395"	674.79296	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+2Na-H"	44.97116
"1137640"	254.91176	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2Na-H"	44.97116
"176194"	232.929818	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+2Na"	45.978436
"618670"	337.900118	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+2Na"	45.978436
"1121809"	127.959518	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2Na"	45.978436
"1407521"	85.642104	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H+2Na"	46.985712
"1437450"	256.953346	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H+HCOOH"	47.012746
"230063"	237.96284	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+3H2O+2H"	56.04448
"1517396"	271.00539	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+IsoProp+H"	61.06479
"419273"	240.916788	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+Na+K"	61.952376
"779174"	345.887088	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+Na+K"	61.952376
"1672224"	135.946488	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Na+K"	61.952376
"263851"	483.896968	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+ACN+Na"	64.015768
"1238746"	273.956368	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+ACN+Na"	64.015768
"1721071"	273.979893	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+NH4+HCOOH"	64.039293
"1185696"	92.969418	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+3Na"	68.967654
"1657781"	278.935288	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Na+HCOOH"	68.994688
"165736"	496.80024	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+2K-H"	76.91904
"606389"	706.74084	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+2K-H"	76.91904
"1098554"	286.85964	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2K-H"	76.91904
"152092"	248.903758	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"2M+2K"	77.926316
"592745"	353.874058	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"3M+2K"	77.926316
"1078351"	143.933458	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2K"	77.926316
"1111560"	288.874192	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2K+H"	78.933592
"1343570"	288.961807	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+DMSO+H"	79.021207
"1015380"	293.000976	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2ACN+H"	83.060376
"1530226"	293.994608	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+IsoProp+Na+H"	84.054008
"998859"	147.004126	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+2ACN+2H"	84.067652
"1594458"	294.909228	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+K+HCOOH"	84.968628
"1422304"	324.940738	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+H+CF3COOH"	115.000138
"1155872"	167.517401	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+3ACN+2H"	125.094202
"1704330"	341.967285	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+NH4+CF3COOH"	132.026685
"1637793"	346.92268	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+Na+CF3COOH"	136.98208
"1571625"	362.89662	"C11510"	"246-Trichloroanisole"	"C7H5Cl3O"	"209.9406"	"M+K+CF3COOH"	152.95602
"814751"	149.0324	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M"	0
"988292"	130.01401	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H2O-H"	-19.01839
"74339"	98.3476573333333	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-3H"	-3.021828
"514993"	148.025124	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-3H"	-3.021828
"892804"	48.6701906666667	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-3H"	-3.021828
"10278"	148.025124	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H"	-2.014552
"451302"	222.541324	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H"	-2.014552
"828012"	73.508924	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H"	-2.014552
"90189"	297.057524	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-H"	-1.007276
"530116"	446.089924	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-H"	-1.007276
"906459"	148.025124	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H"	-1.007276
"56096"	314.084071	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H+NH4"	16.019271
"498573"	463.116471	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H+NH4"	16.019271
"877466"	165.051671	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H+NH4"	16.019271
"42453"	319.039466	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H+Na"	20.974666
"483836"	468.071866	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H+Na"	20.974666
"856538"	170.007066	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H+Na"	20.974666
"1627162"	170.007066	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na-2H"	20.974666
"103693"	166.013463	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-H+Cl"	33.962126
"542160"	240.529663	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-H+Cl"	33.962126
"934583"	91.497263	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+Cl"	33.962126
"276421"	333.034202	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Cl"	34.969402
"675650"	482.066602	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+Cl"	34.969402
"1288139"	184.001802	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl"	34.969402
"28545"	335.013406	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H+K"	36.948606
"469561"	484.045806	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H+K"	36.948606
"846998"	185.981006	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H+K"	36.948606
"1568662"	185.981006	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K-2H"	36.948606
"956182"	194.030594	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+HCOOH"	44.998194
"371844"	343.063001	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+HCOOH-H"	44.998201
"356825"	357.078651	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Hac-H"	59.013851
"1507487"	208.046251	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Hac-H"	59.013851
"967737"	216.012551	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+NaCOOH"	66.980151
"124303"	184.001802	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2Cl"	69.938804
"564228"	258.518002	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2Cl"	69.938804
"1034847"	109.485602	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2Cl"	69.938804
"1252601"	227.951285	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Br"	78.918885
"1315775"	230.007272	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl+HCOOH"	80.974872
"1332908"	251.989229	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl+NaCOOH"	102.956829
"922142"	262.017986	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+CF3COOH"	112.985586
"1297756"	297.994664	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl+CF3COOH"	148.962264
"1374823"	114.019724	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H-2H2O"	-35.012676
"1393413"	132.0297	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H-H2O"	-17.0027
"297368"	299.072076	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H"	1.007276
"689667"	448.104476	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H"	1.007276
"1366382"	150.039676	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H"	1.007276
"138056"	150.039676	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2H"	2.014552
"578711"	224.555876	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2H"	2.014552
"1047510"	75.523476	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2H"	2.014552
"213224"	100.362209333333	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+3H"	3.021828
"656790"	150.039676	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+3H"	3.021828
"1173457"	50.6847426666667	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+3H"	3.021828
"434176"	316.098623	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+NH4"	18.033823
"789705"	465.131023	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+NH4"	18.033823
"1686407"	167.066223	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+NH4"	18.033823
"341610"	158.5529495	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H+NH4"	19.041099
"734395"	233.0691495	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H+NH4"	19.041099
"1489309"	84.0367495	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+NH4"	19.041099
"403614"	321.054018	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Na"	22.989218
"756227"	470.086418	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+Na"	22.989218
"1608335"	172.021618	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na"	22.989218
"321654"	161.030647	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H+Na"	23.996494
"719545"	235.546847	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H+Na"	23.996494
"1476773"	86.514447	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+Na"	23.996494
"1068317"	58.0120566666667	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2H+Na"	25.00377
"1270479"	182.065886	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+CH3OH+H"	33.033486
"391730"	337.027958	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+K"	38.963158
"752237"	486.060358	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+K"	38.963158
"1549915"	187.995558	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K"	38.963158
"310010"	169.017617	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H+K"	39.970434
"705348"	243.533817	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H+K"	39.970434
"1457715"	94.501417	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+K"	39.970434
"248139"	340.098626	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+ACN+H"	42.033826
"1221940"	191.066226	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+ACN+H"	42.033826
"1200720"	96.036751	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+ACN+2H"	43.041102
"196872"	343.03596	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2Na-H"	44.97116
"632059"	492.06836	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2Na-H"	44.97116
"1137750"	194.00356	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2Na-H"	44.97116
"173507"	172.021618	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2Na"	45.978436
"614890"	246.537818	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2Na"	45.978436
"1124106"	97.505418	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2Na"	45.978436
"1405443"	65.3393706666667	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+2Na"	46.985712
"1434279"	196.045146	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+HCOOH"	47.012746
"228350"	177.05464	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+3H2O+2H"	56.04448
"1514590"	210.09719	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+IsoProp+H"	61.06479
"420476"	180.008588	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Na+K"	61.952376
"780013"	254.524788	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+Na+K"	61.952376
"1675614"	105.492388	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na+K"	61.952376
"263232"	362.080568	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+ACN+Na"	64.015768
"1237034"	213.048168	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+ACN+Na"	64.015768
"1720452"	213.071693	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+NH4+HCOOH"	64.039293
"1183620"	72.6666846666667	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+3Na"	68.967654
"1660077"	218.027088	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na+HCOOH"	68.994688
"169126"	374.98384	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2K-H"	76.91904
"605406"	524.01624	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2K-H"	76.91904
"1093197"	225.95144	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2K-H"	76.91904
"151108"	187.995558	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2K"	77.926316
"589575"	262.511758	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2K"	77.926316
"1077366"	113.479358	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2K"	77.926316
"1107296"	227.965992	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2K+H"	78.933592
"1344773"	228.053607	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+DMSO+H"	79.021207
"1016584"	232.092776	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2ACN+H"	83.060376
"1530336"	233.086408	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+IsoProp+Na+H"	84.054008
"998969"	116.550026	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2ACN+2H"	84.067652
"1593475"	234.001028	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K+HCOOH"	84.968628
"1422414"	264.032538	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+CF3COOH"	115.000138
"1154888"	137.063301	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+3ACN+2H"	125.094202
"1704440"	281.059085	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+NH4+CF3COOH"	132.026685
"1638996"	286.01448	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na+CF3COOH"	136.98208
"1572464"	301.98842	"C11511"	"threo-3-Hydroxy-L-aspartate;L-threo-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K+CF3COOH"	152.95602
"813767"	224.1412	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M"	0
"988401"	205.12281	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-H2O-H"	-19.01839
"76638"	148.420190666667	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M-3H"	-3.021828
"515104"	223.133924	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M-3H"	-3.021828
"891819"	73.7064573333333	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-3H"	-3.021828
"12574"	223.133924	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M-2H"	-2.014552
"451042"	335.204524	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M-2H"	-2.014552
"829574"	111.063324	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-2H"	-2.014552
"89933"	447.275124	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M-H"	-1.007276
"532771"	671.416324	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M-H"	-1.007276
"906934"	223.133924	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-H"	-1.007276
"58028"	464.301671	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M-2H+NH4"	16.019271
"499047"	688.442871	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M-2H+NH4"	16.019271
"876847"	240.160471	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-2H+NH4"	16.019271
"41466"	469.257066	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M-2H+Na"	20.974666
"484674"	693.398266	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M-2H+Na"	20.974666
"861748"	245.115866	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-2H+Na"	20.974666
"1630554"	245.115866	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Na-2H"	20.974666
"103805"	241.122263	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M-H+Cl"	33.962126
"543364"	353.192863	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M-H+Cl"	33.962126
"937972"	129.051663	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-H+Cl"	33.962126
"275437"	483.251802	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+Cl"	34.969402
"675411"	707.393002	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+Cl"	34.969402
"1287970"	259.110602	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Cl"	34.969402
"29992"	485.231006	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M-2H+K"	36.948606
"469307"	709.372206	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M-2H+K"	36.948606
"846744"	261.089806	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-2H+K"	36.948606
"1568408"	261.089806	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+K-2H"	36.948606
"955925"	269.139394	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-H+HCOOH"	44.998194
"374140"	493.280601	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+HCOOH-H"	44.998201
"359124"	507.296251	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+Hac-H"	59.013851
"1506871"	283.155051	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Hac-H"	59.013851
"972589"	291.121351	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-H+NaCOOH"	66.980151
"124657"	259.110602	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+2Cl"	69.938804
"564218"	371.181202	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+2Cl"	69.938804
"1033863"	147.040002	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2Cl"	69.938804
"1253439"	303.060085	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Br"	78.918885
"1316616"	305.116072	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Cl+HCOOH"	80.974872
"1330100"	327.098029	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Cl+NaCOOH"	102.956829
"921158"	337.126786	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M-H+CF3COOH"	112.985586
"1300054"	373.103464	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Cl+CF3COOH"	148.962264
"1377120"	189.128524	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H-2H2O"	-35.012676
"1390243"	207.1385	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H-H2O"	-17.0027
"297235"	449.289676	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+H"	1.007276
"690021"	673.430876	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+H"	1.007276
"1365641"	225.148476	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H"	1.007276
"140840"	225.148476	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+2H"	2.014552
"579551"	337.219076	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+2H"	2.014552
"1049808"	113.077876	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2H"	2.014552
"216249"	150.434742666667	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+3H"	3.021828
"657629"	225.148476	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+3H"	3.021828
"1175390"	75.7210093333333	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+3H"	3.021828
"434286"	466.316223	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+NH4"	18.033823
"789815"	690.457423	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+NH4"	18.033823
"1687244"	242.175023	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+NH4"	18.033823
"342083"	233.6617495	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+H+NH4"	19.041099
"735235"	345.7323495	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+H+NH4"	19.041099
"1490512"	121.5911495	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H+NH4"	19.041099
"407005"	471.271618	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+Na"	22.989218
"762533"	695.412818	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+Na"	22.989218
"1608445"	247.130418	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Na"	22.989218
"323950"	236.139447	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+H+Na"	23.996494
"719655"	348.210047	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+H+Na"	23.996494
"1471289"	124.068847	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H+Na"	23.996494
"1067582"	83.0483233333333	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2H+Na"	25.00377
"1269496"	257.174686	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+CH3OH+H"	33.033486
"392206"	487.245558	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+K"	38.963158
"752349"	711.386758	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+K"	38.963158
"1553679"	263.104358	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+K"	38.963158
"313528"	244.126417	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+H+K"	39.970434
"706188"	356.197017	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+H+K"	39.970434
"1458918"	132.055817	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H+K"	39.970434
"245333"	490.316226	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+ACN+H"	42.033826
"1218042"	266.175026	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+ACN+H"	42.033826
"1200830"	133.591151	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+ACN+2H"	43.041102
"195889"	493.25356	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+2Na-H"	44.97116
"634355"	717.39476	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+2Na-H"	44.97116
"1135673"	269.11236	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2Na-H"	44.97116
"174469"	247.130418	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+2Na"	45.978436
"615244"	359.201018	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+2Na"	45.978436
"1118749"	135.059818	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2Na"	45.978436
"1405553"	90.3756373333333	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H+2Na"	46.985712
"1433296"	271.153946	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H+HCOOH"	47.012746
"228460"	252.16344	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+3H2O+2H"	56.04448
"1514336"	285.20599	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+IsoProp+H"	61.06479
"419493"	255.117388	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+Na+K"	61.952376
"778301"	367.187988	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+Na+K"	61.952376
"1673538"	143.046788	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Na+K"	61.952376
"263342"	512.298168	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+ACN+Na"	64.015768
"1238238"	288.156968	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+ACN+Na"	64.015768
"1720562"	288.180493	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+NH4+HCOOH"	64.039293
"1183730"	97.7029513333333	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+3Na"	68.967654
"1663467"	293.135888	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Na+HCOOH"	68.994688
"169234"	525.20144	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+2K-H"	76.91904
"607701"	749.34264	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+2K-H"	76.91904
"1087839"	301.06024	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2K-H"	76.91904
"150123"	263.104358	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"2M+2K"	77.926316
"589682"	375.174958	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"3M+2K"	77.926316
"1075290"	151.033758	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2K"	77.926316
"1110685"	303.074792	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2K+H"	78.933592
"1345978"	303.162407	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+DMSO+H"	79.021207
"1014507"	307.201576	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2ACN+H"	83.060376
"1531540"	308.195208	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+IsoProp+Na+H"	84.054008
"999081"	154.104426	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+2ACN+2H"	84.067652
"1595772"	309.109828	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+K+HCOOH"	84.968628
"1420338"	339.141338	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+H+CF3COOH"	115.000138
"1158279"	174.617701	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+3ACN+2H"	125.094202
"1702365"	356.167885	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+NH4+CF3COOH"	132.026685
"1636921"	361.12328	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+Na+CF3COOH"	136.98208
"1571844"	377.09722	"C11512"	"Methyl jasmonate;(-)-Methyl jasmonate"	"C13H20O3"	"224.1412"	"M+K+CF3COOH"	152.95602
"812784"	440.4018	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M"	0
"988510"	421.38341	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-H2O-H"	-19.01839
"77841"	292.593924	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M-3H"	-3.021828
"517400"	439.394524	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M-3H"	-3.021828
"894115"	145.793324	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-3H"	-3.021828
"13777"	439.394524	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M-2H"	-2.014552
"451152"	659.595424	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M-2H"	-2.014552
"828954"	219.193624	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-2H"	-2.014552
"91135"	879.796324	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M-H"	-1.007276
"532639"	1320.198124	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M-H"	-1.007276
"907407"	439.394524	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-H"	-1.007276
"58503"	896.822871	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M-2H+NH4"	16.019271
"500251"	1337.224671	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M-2H+NH4"	16.019271
"878416"	456.421071	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-2H+NH4"	16.019271
"40483"	901.778266	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M-2H+Na"	20.974666
"485148"	1342.180066	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M-2H+Na"	20.974666
"858942"	461.376466	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-2H+Na"	20.974666
"1628478"	461.376466	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Na-2H"	20.974666
"105009"	457.382863	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M-H+Cl"	33.962126
"545660"	677.583763	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M-H+Cl"	33.962126
"941360"	237.181963	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-H+Cl"	33.962126
"279193"	915.773002	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+Cl"	34.969402
"675028"	1356.174802	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+Cl"	34.969402
"1288041"	475.371202	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Cl"	34.969402
"30675"	917.752206	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M-2H+K"	36.948606
"469417"	1358.154006	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M-2H+K"	36.948606
"846489"	477.350406	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-2H+K"	36.948606
"1570339"	477.350406	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+K-2H"	36.948606
"952755"	485.399994	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-H+HCOOH"	44.998194
"374250"	925.801801	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+HCOOH-H"	44.998201
"358385"	939.817451	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+Hac-H"	59.013851
"1506615"	499.415651	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Hac-H"	59.013851
"967953"	507.381951	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-H+NaCOOH"	66.980151
"124523"	475.371202	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+2Cl"	69.938804
"565058"	695.572102	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+2Cl"	69.938804
"1032878"	255.170302	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2Cl"	69.938804
"1253185"	519.320685	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Br"	78.918885
"1316725"	521.376672	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Cl+HCOOH"	80.974872
"1332400"	543.358629	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Cl+NaCOOH"	102.956829
"923456"	553.387386	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M-H+CF3COOH"	112.985586
"1300164"	589.364064	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Cl+CF3COOH"	148.962264
"1379416"	405.389124	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H-2H2O"	-35.012676
"1390353"	423.3991	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H-H2O"	-17.0027
"296251"	881.810876	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+H"	1.007276
"687943"	1322.212676	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+H"	1.007276
"1364293"	441.409076	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H"	1.007276
"139003"	441.409076	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+2H"	2.014552
"577471"	661.609976	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+2H"	2.014552
"1051011"	221.208176	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2H"	2.014552
"214537"	294.608476	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+3H"	3.021828
"656282"	441.409076	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+3H"	3.021828
"1174770"	147.807876	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+3H"	3.021828
"427836"	898.837423	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+NH4"	18.033823
"786766"	1339.239223	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+NH4"	18.033823
"1692821"	458.435623	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+NH4"	18.033823
"338913"	449.9223495	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+H+NH4"	19.041099
"735709"	670.1232495	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+H+NH4"	19.041099
"1490622"	229.7214495	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H+NH4"	19.041099
"407115"	903.792818	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+Na"	22.989218
"762643"	1344.194618	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+Na"	22.989218
"1608919"	463.391018	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Na"	22.989218
"324060"	452.400047	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+H+Na"	23.996494
"713202"	672.600947	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+H+Na"	23.996494
"1468118"	232.199147	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H+Na"	23.996494
"1060270"	155.13519	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2H+Na"	25.00377
"1263041"	473.435286	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+CH3OH+H"	33.033486
"389272"	919.766758	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+K"	38.963158
"744800"	1360.168558	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+K"	38.963158
"1554145"	479.364958	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+K"	38.963158
"313511"	460.387017	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+H+K"	39.970434
"705201"	680.587917	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+H+K"	39.970434
"1459393"	240.186117	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H+K"	39.970434
"247264"	922.837426	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+ACN+H"	42.033826
"1220336"	482.435626	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+ACN+H"	42.033826
"1198026"	241.721451	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+ACN+2H"	43.041102
"198187"	925.77476	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+2Na-H"	44.97116
"639931"	1366.17656	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+2Na-H"	44.97116
"1132866"	485.37296	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2Na-H"	44.97116
"174458"	463.391018	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+2Na"	45.978436
"616084"	683.591918	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+2Na"	45.978436
"1116914"	243.190118	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2Na"	45.978436
"1403476"	162.462504	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H+2Na"	46.985712
"1433406"	487.414546	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H+HCOOH"	47.012746
"225290"	468.42404	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+3H2O+2H"	56.04448
"1514446"	501.46659	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+IsoProp+H"	61.06479
"419604"	471.377988	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+Na+K"	61.952376
"782056"	691.578888	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+Na+K"	61.952376
"1673648"	251.177088	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Na+K"	61.952376
"263451"	944.819368	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+ACN+Na"	64.015768
"1239077"	504.417568	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+ACN+Na"	64.015768
"1723588"	504.441093	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+NH4+HCOOH"	64.039293
"1184933"	169.789818	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+3Na"	68.967654
"1663577"	509.396488	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Na+HCOOH"	68.994688
"162782"	957.72264	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+2K-H"	76.91904
"604530"	1398.12444	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+2K-H"	76.91904
"1089042"	517.32084	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2K-H"	76.91904
"146952"	479.364958	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"2M+2K"	77.926316
"587605"	699.565858	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"3M+2K"	77.926316
"1076492"	259.164058	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2K"	77.926316
"1111889"	519.335392	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2K+H"	78.933592
"1344993"	519.423007	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+DMSO+H"	79.021207
"1016803"	523.462176	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2ACN+H"	83.060376
"1531650"	524.455808	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+IsoProp+Na+H"	84.054008
"1001377"	262.234726	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+2ACN+2H"	84.067652
"1593695"	525.370428	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+K+HCOOH"	84.968628
"1419355"	555.401938	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+H+CF3COOH"	115.000138
"1157296"	282.748001	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+3ACN+2H"	125.094202
"1702475"	572.428485	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+NH4+CF3COOH"	132.026685
"1637031"	577.38388	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+Na+CF3COOH"	136.98208
"1571711"	593.35782	"C11513"	"(24R)-24-Methylcycloarta-25-en-3-beta-ol"	"C31H52O"	"440.4018"	"M+K+CF3COOH"	152.95602
"815081"	188.0321	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M"	0
"989430"	169.01371	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-H2O-H"	-19.01839
"78200"	124.347457333333	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M-3H"	-3.021828
"515323"	187.024824	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M-3H"	-3.021828
"895201"	61.6700906666667	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-3H"	-3.021828
"13523"	187.024824	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M-2H"	-2.014552
"454178"	281.040874	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M-2H"	-2.014552
"825782"	93.008774	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-2H"	-2.014552
"92338"	375.056924	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M-H"	-1.007276
"530803"	563.089024	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M-H"	-1.007276
"910673"	187.024824	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-H"	-1.007276
"62219"	392.083471	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M-2H+NH4"	16.019271
"502300"	580.115571	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M-2H+NH4"	16.019271
"879009"	204.051371	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-2H+NH4"	16.019271
"40591"	397.038866	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M-2H+Na"	20.974666
"479059"	585.070966	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M-2H+Na"	20.974666
"859050"	209.006766	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-2H+Na"	20.974666
"1626396"	209.006766	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Na-2H"	20.974666
"104017"	205.013163	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M-H+Cl"	33.962126
"545770"	299.029213	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M-H+Cl"	33.962126
"940746"	110.997113	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-H+Cl"	33.962126
"279670"	411.033602	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+Cl"	34.969402
"675543"	599.065702	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+Cl"	34.969402
"1288372"	223.001502	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Cl"	34.969402
"29239"	413.012806	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M-2H+K"	36.948606
"469527"	601.044906	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M-2H+K"	36.948606
"847854"	224.980706	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-2H+K"	36.948606
"1570900"	224.980706	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+K-2H"	36.948606
"956145"	233.030294	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-H+HCOOH"	44.998194
"374360"	421.062401	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+HCOOH-H"	44.998201
"358131"	435.078051	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+Hac-H"	59.013851
"1507086"	247.045951	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Hac-H"	59.013851
"968063"	255.012251	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-H+NaCOOH"	66.980151
"123903"	223.001502	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+2Cl"	69.938804
"564193"	317.017552	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+2Cl"	69.938804
"1029706"	128.985452	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2Cl"	69.938804
"1252564"	266.950985	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Br"	78.918885
"1316105"	269.006972	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Cl+HCOOH"	80.974872
"1333603"	290.988929	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Cl+NaCOOH"	102.956829
"923566"	301.017686	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M-H+CF3COOH"	112.985586
"1298817"	336.994364	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Cl+CF3COOH"	148.962264
"1379162"	153.019424	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H-2H2O"	-35.012676
"1393379"	171.0294	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H-H2O"	-17.0027
"293797"	377.071476	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+H"	1.007276
"683667"	565.103576	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+H"	1.007276
"1362571"	189.039376	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H"	1.007276
"138376"	189.039376	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+2H"	2.014552
"576115"	283.055426	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+2H"	2.014552
"1047100"	95.023326	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2H"	2.014552
"211355"	126.362009333333	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+3H"	3.021828
"655298"	189.039376	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+3H"	3.021828
"1173058"	63.6846426666667	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+3H"	3.021828
"425636"	394.098023	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+NH4"	18.033823
"793314"	582.130123	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+NH4"	18.033823
"1692931"	206.065923	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+NH4"	18.033823
"339023"	197.5526495	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+H+NH4"	19.041099
"735819"	291.5686995	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+H+NH4"	19.041099
"1490732"	103.5365995	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H+NH4"	19.041099
"406132"	399.053418	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+Na"	22.989218
"762753"	587.085518	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+Na"	22.989218
"1608665"	211.021318	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Na"	22.989218
"324170"	200.030347	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+H+Na"	23.996494
"714405"	294.046397	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+H+Na"	23.996494
"1469321"	106.014297	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H+Na"	23.996494
"1060380"	71.0119566666667	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2H+Na"	25.00377
"1265337"	221.065586	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+CH3OH+H"	33.033486
"389382"	415.027358	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+K"	38.963158
"744910"	603.059458	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+K"	38.963158
"1554863"	226.995258	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+K"	38.963158
"314177"	208.017317	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+H+K"	39.970434
"705918"	302.033367	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+H+K"	39.970434
"1458044"	114.001267	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H+K"	39.970434
"247375"	418.098026	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+ACN+H"	42.033826
"1219352"	230.065926	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+ACN+H"	42.033826
"1203237"	115.536601	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+ACN+2H"	43.041102
"193921"	421.03536	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+2Na-H"	44.97116
"636761"	609.06746	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+2Na-H"	44.97116
"1132977"	233.00326	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2Na-H"	44.97116
"178090"	211.021318	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+2Na"	45.978436
"618746"	305.037368	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+2Na"	45.978436
"1116291"	117.005268	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2Na"	45.978436
"1403586"	78.3392706666667	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H+2Na"	46.985712
"1435702"	235.044846	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H+HCOOH"	47.012746
"223213"	216.05434	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+3H2O+2H"	56.04448
"1510181"	249.09689	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+IsoProp+H"	61.06479
"420442"	219.008288	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+Na+K"	61.952376
"782166"	313.024338	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+Na+K"	61.952376
"1675944"	124.992238	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Na+K"	61.952376
"263926"	440.079968	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+ACN+Na"	64.015768
"1239916"	252.047868	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+ACN+Na"	64.015768
"1720782"	252.071393	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+NH4+HCOOH"	64.039293
"1186136"	85.6665846666667	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+3Na"	68.967654
"1663687"	257.026788	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Na+HCOOH"	68.994688
"161799"	452.98324	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+2K-H"	76.91904
"605734"	641.01534	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+2K-H"	76.91904
"1091338"	264.95114	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2K-H"	76.91904
"147062"	226.995258	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"2M+2K"	77.926316
"589901"	321.011308	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"3M+2K"	77.926316
"1077695"	132.979208	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2K"	77.926316
"1111999"	266.965692	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2K+H"	78.933592
"1344010"	267.053307	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+DMSO+H"	79.021207
"1016913"	271.092476	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2ACN+H"	83.060376
"1530666"	272.086108	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+IsoProp+Na+H"	84.054008
"1000394"	136.049876	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+2ACN+2H"	84.067652
"1593805"	273.000728	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+K+HCOOH"	84.968628
"1419465"	303.032238	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+H+CF3COOH"	115.000138
"1157406"	156.563151	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+3ACN+2H"	125.094202
"1702585"	320.058785	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+NH4+CF3COOH"	132.026685
"1640421"	325.01418	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+Na+CF3COOH"	136.98208
"1572793"	340.98812	"C11514"	"(E)-3-(Methoxycarbonyl)pent-2-enedioate"	"C7H8O6"	"188.0321"	"M+K+CF3COOH"	152.95602
"817055"	188.0321	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M"	0
"989641"	169.01371	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-H2O-H"	-19.01839
"78414"	124.347457333333	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M-3H"	-3.021828
"514340"	187.024824	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M-3H"	-3.021828
"893974"	61.6700906666667	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-3H"	-3.021828
"14364"	187.024824	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M-2H"	-2.014552
"452466"	281.040874	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M-2H"	-2.014552
"825892"	93.008774	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-2H"	-2.014552
"91355"	375.056924	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M-H"	-1.007276
"528727"	563.089024	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M-H"	-1.007276
"910783"	187.024824	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-H"	-1.007276
"62407"	392.083471	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M-2H+NH4"	16.019271
"501073"	580.115571	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M-2H+NH4"	16.019271
"877902"	204.051371	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-2H+NH4"	16.019271
"44710"	397.038866	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M-2H+Na"	20.974666
"482449"	585.070966	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M-2H+Na"	20.974666
"861348"	209.006766	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-2H+Na"	20.974666
"1628693"	209.006766	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Na-2H"	20.974666
"104127"	205.013163	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M-H+Cl"	33.962126
"549157"	299.029213	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M-H+Cl"	33.962126
"940492"	110.997113	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-H+Cl"	33.962126
"280144"	411.033602	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+Cl"	34.969402
"675628"	599.065702	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+Cl"	34.969402
"1288368"	223.001502	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Cl"	34.969402
"31391"	413.012806	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M-2H+K"	36.948606
"470730"	601.044906	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M-2H+K"	36.948606
"848298"	224.980706	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-2H+K"	36.948606
"1571098"	224.980706	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+K-2H"	36.948606
"954798"	233.030294	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-H+HCOOH"	44.998194
"373377"	421.062401	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+HCOOH-H"	44.998201
"360958"	435.078051	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+Hac-H"	59.013851
"1507928"	247.045951	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Hac-H"	59.013851
"973526"	255.012251	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-H+NaCOOH"	66.980151
"123647"	223.001502	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+2Cl"	69.938804
"563213"	317.017552	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+2Cl"	69.938804
"1034556"	128.985452	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2Cl"	69.938804
"1253404"	266.950985	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Br"	78.918885
"1316581"	269.006972	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Cl+HCOOH"	80.974872
"1330431"	290.988929	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Cl+NaCOOH"	102.956829
"925135"	301.017686	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M-H+CF3COOH"	112.985586
"1301478"	336.994364	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Cl+CF3COOH"	148.962264
"1377449"	153.019424	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H-2H2O"	-35.012676
"1392760"	171.0294	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H-H2O"	-17.0027
"293907"	377.071476	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+H"	1.007276
"685237"	565.103576	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+H"	1.007276
"1360130"	189.039376	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H"	1.007276
"137757"	189.039376	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+2H"	2.014552
"575496"	283.055426	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+2H"	2.014552
"1044659"	95.023326	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2H"	2.014552
"212559"	126.362009333333	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+3H"	3.021828
"656502"	189.039376	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+3H"	3.021828
"1172439"	63.6846426666667	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+3H"	3.021828
"425869"	394.098023	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+NH4"	18.033823
"795611"	582.130123	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+NH4"	18.033823
"1689761"	206.065923	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+NH4"	18.033823
"336946"	197.5526495	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+H+NH4"	19.041099
"726818"	291.5686995	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+H+NH4"	19.041099
"1489749"	103.5365995	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H+NH4"	19.041099
"404055"	399.053418	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+Na"	22.989218
"759582"	587.085518	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+Na"	22.989218
"1612055"	211.021318	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Na"	22.989218
"316257"	200.030347	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+H+Na"	23.996494
"712327"	294.046397	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+H+Na"	23.996494
"1470524"	106.014297	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H+Na"	23.996494
"1061583"	71.0119566666667	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2H+Na"	25.00377
"1263260"	221.065586	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+CH3OH+H"	33.033486
"389492"	415.027358	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+K"	38.963158
"745020"	603.059458	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+K"	38.963158
"1554001"	226.995258	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+K"	38.963158
"311545"	208.017317	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+H+K"	39.970434
"705420"	302.033367	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+H+K"	39.970434
"1454870"	114.001267	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H+K"	39.970434
"243474"	418.098026	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+ACN+H"	42.033826
"1216182"	230.065926	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+ACN+H"	42.033826
"1201160"	115.536601	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+ACN+2H"	43.041102
"190872"	421.03536	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+2Na-H"	44.97116
"631159"	609.06746	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+2Na-H"	44.97116
"1133814"	233.00326	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2Na-H"	44.97116
"178200"	211.021318	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+2Na"	45.978436
"618490"	305.037368	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+2Na"	45.978436
"1116523"	117.005268	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2Na"	45.978436
"1404060"	78.3392706666667	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H+2Na"	46.985712
"1435812"	235.044846	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H+HCOOH"	47.012746
"226603"	216.05434	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+3H2O+2H"	56.04448
"1511385"	249.09689	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+IsoProp+H"	61.06479
"420916"	219.008288	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+Na+K"	61.952376
"779724"	313.024338	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+Na+K"	61.952376
"1674961"	124.992238	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Na+K"	61.952376
"263672"	440.079968	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+ACN+Na"	64.015768
"1238568"	252.047868	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+ACN+Na"	64.015768
"1720892"	252.071393	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+NH4+HCOOH"	64.039293
"1186246"	85.6665846666667	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+3Na"	68.967654
"1663799"	257.026788	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Na+HCOOH"	68.994688
"165190"	452.98324	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+2K-H"	76.91904
"604751"	641.01534	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+2K-H"	76.91904
"1091448"	264.95114	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2K-H"	76.91904
"149358"	226.995258	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"2M+2K"	77.926316
"587826"	321.011308	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"3M+2K"	77.926316
"1077805"	132.979208	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2K"	77.926316
"1112108"	266.965692	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2K+H"	78.933592
"1343027"	267.053307	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+DMSO+H"	79.021207
"1017023"	271.092476	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2ACN+H"	83.060376
"1535150"	272.086108	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+IsoProp+Na+H"	84.054008
"1003784"	136.049876	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+2ACN+2H"	84.067652
"1597195"	273.000728	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+K+HCOOH"	84.968628
"1418481"	303.032238	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+H+CF3COOH"	115.000138
"1158609"	156.563151	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+3ACN+2H"	125.094202
"1702695"	320.058785	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+NH4+CF3COOH"	132.026685
"1640531"	325.01418	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+Na+CF3COOH"	136.98208
"1573997"	340.98812	"C11515"	"(E)-2-(Methoxycarbonylmethyl)butenedioate"	"C7H8O6"	"188.0321"	"M+K+CF3COOH"	152.95602
"816281"	348.0458	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M"	0
"988963"	329.02741	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-H2O-H"	-19.01839
"77565"	231.023257333333	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M-3H"	-3.021828
"513357"	347.038524	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M-3H"	-3.021828
"894693"	115.007990666667	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-3H"	-3.021828
"13624"	347.038524	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M-2H"	-2.014552
"450389"	521.061424	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M-2H"	-2.014552
"826002"	173.015624	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-2H"	-2.014552
"91465"	695.084324	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M-H"	-1.007276
"526650"	1043.130124	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M-H"	-1.007276
"910048"	347.038524	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-H"	-1.007276
"61866"	712.110871	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M-2H+NH4"	16.019271
"502155"	1060.156671	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M-2H+NH4"	16.019271
"877162"	364.065071	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-2H+NH4"	16.019271
"41904"	717.066266	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M-2H+Na"	20.974666
"479278"	1065.112066	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M-2H+Na"	20.974666
"862552"	369.020466	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-2H+Na"	20.974666
"1629896"	369.020466	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Na-2H"	20.974666
"105331"	365.026863	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M-H+Cl"	33.962126
"543798"	539.049763	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M-H+Cl"	33.962126
"942224"	191.003963	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-H+Cl"	33.962126
"281347"	731.061002	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+Cl"	34.969402
"675524"	1079.106802	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+Cl"	34.969402
"1288404"	383.015202	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Cl"	34.969402
"31169"	733.040206	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M-2H+K"	36.948606
"471102"	1081.086006	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M-2H+K"	36.948606
"848306"	384.994406	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-2H+K"	36.948606
"1571254"	384.994406	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+K-2H"	36.948606
"957952"	393.043994	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-H+HCOOH"	44.998194
"375310"	741.089801	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+HCOOH-H"	44.998201
"360661"	755.105451	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+Hac-H"	59.013851
"1507548"	407.059651	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Hac-H"	59.013851
"973878"	415.025951	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-H+NaCOOH"	66.980151
"123394"	383.015202	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+2Cl"	69.938804
"562588"	557.038102	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+2Cl"	69.938804
"1036495"	208.992302	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2Cl"	69.938804
"1255338"	426.964685	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Br"	78.918885
"1316691"	429.020672	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Cl+HCOOH"	80.974872
"1333095"	451.002629	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Cl+NaCOOH"	102.956829
"926097"	461.031386	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M-H+CF3COOH"	112.985586
"1300859"	497.008064	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Cl+CF3COOH"	148.962264
"1378652"	313.033124	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H-2H2O"	-35.012676
"1392870"	331.0431	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H-H2O"	-17.0027
"292558"	697.098876	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+H"	1.007276
"686076"	1045.144676	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+H"	1.007276
"1363156"	349.053076	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H"	1.007276
"141031"	349.053076	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+2H"	2.014552
"578522"	523.075976	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+2H"	2.014552
"1044769"	175.030176	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2H"	2.014552
"212669"	233.037809333333	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+3H"	3.021828
"656609"	349.053076	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+3H"	3.021828
"1175465"	117.022542666667	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+3H"	3.021828
"434728"	714.125423	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+NH4"	18.033823
"795721"	1062.171223	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+NH4"	18.033823
"1690963"	366.079623	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+NH4"	18.033823
"339244"	357.5663495	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+H+NH4"	19.041099
"726928"	531.5892495	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+H+NH4"	19.041099
"1487674"	183.5434495	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H+NH4"	19.041099
"405259"	719.080818	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+Na"	22.989218
"765160"	1067.126618	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+Na"	22.989218
"1608884"	371.035018	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Na"	22.989218
"318191"	360.044047	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+H+Na"	23.996494
"710247"	534.066947	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+H+Na"	23.996494
"1466622"	186.021147	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H+Na"	23.996494
"1061692"	124.349856666667	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2H+Na"	25.00377
"1261546"	381.079286	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+CH3OH+H"	33.033486
"379756"	735.054758	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+K"	38.963158
"745130"	1083.100558	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+K"	38.963158
"1553743"	387.008958	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+K"	38.963158
"309833"	368.031017	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+H+K"	39.970434
"704803"	542.053917	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+H+K"	39.970434
"1453889"	194.008117	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H+K"	39.970434
"244677"	738.125426	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+ACN+H"	42.033826
"1216292"	390.079626	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+ACN+H"	42.033826
"1196898"	195.543451	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+ACN+2H"	43.041102
"192318"	741.06276	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+2Na-H"	44.97116
"630783"	1089.10856	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+2Na-H"	44.97116
"1133195"	393.01696	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2Na-H"	44.97116
"179768"	371.035018	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+2Na"	45.978436
"617870"	545.057918	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+2Na"	45.978436
"1122469"	197.012118	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2Na"	45.978436
"1404534"	131.677170666667	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H+2Na"	46.985712
"1435922"	395.058546	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H+HCOOH"	47.012746
"231087"	376.06804	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+3H2O+2H"	56.04448
"1511859"	409.11059	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+IsoProp+H"	61.06479
"421757"	379.021988	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+Na+K"	61.952376
"783481"	553.044888	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+Na+K"	61.952376
"1677624"	204.999088	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Na+K"	61.952376
"264147"	760.107368	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+ACN+Na"	64.015768
"1241296"	412.061568	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+ACN+Na"	64.015768
"1727564"	412.085093	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+NH4+HCOOH"	64.039293
"1189637"	139.004484666667	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+3Na"	68.967654
"1664518"	417.040488	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Na+HCOOH"	68.994688
"170767"	773.01064	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+2K-H"	76.91904
"604861"	1121.05644	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+2K-H"	76.91904
"1092652"	424.96484	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2K-H"	76.91904
"151655"	387.008958	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"2M+2K"	77.926316
"590122"	561.031858	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"3M+2K"	77.926316
"1079009"	212.986058	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2K"	77.926316
"1113312"	426.979392	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2K+H"	78.933592
"1346417"	427.067007	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+DMSO+H"	79.021207
"1018226"	431.106176	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2ACN+H"	83.060376
"1535260"	432.099808	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+IsoProp+Na+H"	84.054008
"1003893"	216.056726	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+2ACN+2H"	84.067652
"1597305"	433.014428	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+K+HCOOH"	84.968628
"1420778"	463.045938	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+H+CF3COOH"	115.000138
"1160906"	236.570001	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+3ACN+2H"	125.094202
"1702805"	480.072485	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+NH4+CF3COOH"	132.026685
"1640641"	485.02788	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+Na+CF3COOH"	136.98208
"1574107"	501.00182	"C11516"	"2-(alpha-D-Mannosyl)-3-phosphoglycerate"	"C9H17O12P"	"348.0458"	"M+K+CF3COOH"	152.95602
"816145"	127.0997	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M"	0
"988826"	108.08131	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-H2O-H"	-19.01839
"76094"	83.7258573333333	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M-3H"	-3.021828
"513466"	126.092424	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M-3H"	-3.021828
"895043"	41.3592906666667	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-3H"	-3.021828
"13125"	126.092424	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M-2H"	-2.014552
"450498"	189.642274	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M-2H"	-2.014552
"826112"	62.542574	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-2H"	-2.014552
"89388"	253.192124	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M-H"	-1.007276
"526760"	380.291824	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M-H"	-1.007276
"907486"	126.092424	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-H"	-1.007276
"60398"	270.218671	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M-2H+NH4"	16.019271
"500323"	397.318371	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M-2H+NH4"	16.019271
"877031"	143.118971	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-2H+NH4"	16.019271
"39827"	275.174066	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M-2H+Na"	20.974666
"481576"	402.273766	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M-2H+Na"	20.974666
"859379"	148.074366	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-2H+Na"	20.974666
"1631101"	148.074366	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Na-2H"	20.974666
"108358"	144.080763	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M-H+Cl"	33.962126
"547561"	207.630613	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M-H+Cl"	33.962126
"941566"	80.530913	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-H+Cl"	33.962126
"282481"	289.168802	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+Cl"	34.969402
"673767"	416.268502	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+Cl"	34.969402
"1287016"	162.069102	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Cl"	34.969402
"29940"	291.148006	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M-2H+K"	36.948606
"470591"	418.247706	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M-2H+K"	36.948606
"847300"	164.048306	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-2H+K"	36.948606
"1569328"	164.048306	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+K-2H"	36.948606
"957216"	172.097894	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-H+HCOOH"	44.998194
"376687"	299.197601	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+HCOOH-H"	44.998201
"357484"	313.213251	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+Hac-H"	59.013851
"1506687"	186.113551	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Hac-H"	59.013851
"972768"	194.079851	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-H+NaCOOH"	66.980151
"124233"	162.069102	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+2Cl"	69.938804
"563793"	225.618952	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+2Cl"	69.938804
"1036605"	98.519252	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2Cl"	69.938804
"1255816"	206.018585	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Br"	78.918885
"1317533"	208.074572	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Cl+HCOOH"	80.974872
"1334177"	230.056529	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Cl+NaCOOH"	102.956829
"926450"	240.085286	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M-H+CF3COOH"	112.985586
"1303279"	276.061964	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Cl+CF3COOH"	148.962264
"1377669"	92.087024	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H-2H2O"	-35.012676
"1390793"	110.097	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H-H2O"	-17.0027
"292304"	255.206676	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+H"	1.007276
"687279"	382.306376	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+H"	1.007276
"1365818"	128.106976	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H"	1.007276
"140164"	128.106976	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+2H"	2.014552
"578632"	191.656826	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+2H"	2.014552
"1044879"	64.557126	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2H"	2.014552
"213872"	85.7404093333333	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+3H"	3.021828
"657814"	128.106976	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+3H"	3.021828
"1175940"	43.3738426666667	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+3H"	3.021828
"434838"	272.233223	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+NH4"	18.033823
"796924"	399.332923	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+NH4"	18.033823
"1685606"	145.133523	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+NH4"	18.033823
"336074"	136.6202495	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+H+NH4"	19.041099
"728497"	200.1700995	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+H+NH4"	19.041099
"1486691"	73.0703995	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H+NH4"	19.041099
"406099"	277.188618	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+Na"	22.989218
"766363"	404.288318	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+Na"	22.989218
"1608994"	150.088918	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Na"	22.989218
"320123"	139.097947	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+H+Na"	23.996494
"712543"	202.647797	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+H+Na"	23.996494
"1466363"	75.548097	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H+Na"	23.996494
"1055234"	50.7011566666667	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2H+Na"	25.00377
"1263475"	160.133186	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+CH3OH+H"	33.033486
"380231"	293.162558	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+K"	38.963158
"747426"	420.262258	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+K"	38.963158
"1553853"	166.062858	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+K"	38.963158
"309943"	147.084917	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+H+K"	39.970434
"703091"	210.634767	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+H+K"	39.970434
"1454000"	83.535067	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H+K"	39.970434
"244787"	296.233226	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+ACN+H"	42.033826
"1217495"	169.133526	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+ACN+H"	42.033826
"1198100"	85.070401	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+ACN+2H"	43.041102
"190971"	299.17056	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+2Na-H"	44.97116
"630893"	426.27026	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+2Na-H"	44.97116
"1132941"	172.07086	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2Na-H"	44.97116
"179515"	150.088918	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+2Na"	45.978436
"613241"	213.638768	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+2Na"	45.978436
"1116137"	86.539068	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2Na"	45.978436
"1402821"	58.0284706666667	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H+2Na"	46.985712
"1434939"	174.112446	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H+HCOOH"	47.012746
"229739"	155.12194	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+3H2O+2H"	56.04448
"1511969"	188.16449	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+IsoProp+H"	61.06479
"421866"	158.075888	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+Na+K"	61.952376
"777756"	221.625738	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+Na+K"	61.952376
"1678461"	94.526038	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Na+K"	61.952376
"260611"	318.215168	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+ACN+Na"	64.015768
"1237693"	191.115468	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+ACN+Na"	64.015768
"1725487"	191.138993	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+NH4+HCOOH"	64.039293
"1187560"	65.3557846666667	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+3Na"	68.967654
"1662199"	196.094388	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Na+HCOOH"	68.994688
"170878"	331.11844	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+2K-H"	76.91904
"608251"	458.21814	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+2K-H"	76.91904
"1091669"	204.01874	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2K-H"	76.91904
"151765"	166.062858	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"2M+2K"	77.926316
"588046"	229.612708	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"3M+2K"	77.926316
"1076932"	102.513008	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2K"	77.926316
"1111235"	206.033292	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2K+H"	78.933592
"1344340"	206.120907	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+DMSO+H"	79.021207
"1016149"	210.160076	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2ACN+H"	83.060376
"1530995"	211.153708	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+IsoProp+Na+H"	84.054008
"1001819"	105.583676	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+2ACN+2H"	84.067652
"1596321"	212.068328	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+K+HCOOH"	84.968628
"1426354"	242.099838	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+H+CF3COOH"	115.000138
"1161017"	126.096951	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+3ACN+2H"	125.094202
"1705100"	259.126385	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+NH4+CF3COOH"	132.026685
"1640751"	264.08178	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+Na+CF3COOH"	136.98208
"1575310"	280.05572	"C11519"	"N-Cyclohexylformamide"	"C7H13NO"	"127.0997"	"M+K+CF3COOH"	152.95602
"816621"	109.0891	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M"	0
"989505"	90.07071	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-H2O-H"	-19.01839
"76204"	71.7187906666667	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M-3H"	-3.021828
"509204"	108.081824	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M-3H"	-3.021828
"894792"	35.3557573333333	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-3H"	-3.021828
"14328"	108.081824	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M-2H"	-2.014552
"452795"	162.626374	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M-2H"	-2.014552
"822942"	53.537274	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-2H"	-2.014552
"90591"	217.170924	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M-H"	-1.007276
"532704"	326.260024	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M-H"	-1.007276
"909415"	108.081824	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-H"	-1.007276
"60146"	234.197471	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M-2H+NH4"	16.019271
"500434"	343.286571	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M-2H+NH4"	16.019271
"875318"	125.108371	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-2H+NH4"	16.019271
"41032"	239.152866	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M-2H+Na"	20.974666
"476218"	348.241966	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M-2H+Na"	20.974666
"860582"	130.063766	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-2H+Na"	20.974666
"1629025"	130.063766	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Na-2H"	20.974666
"108470"	126.070163	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M-H+Cl"	33.962126
"548644"	180.614713	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M-H+Cl"	33.962126
"942041"	71.525613	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-H+Cl"	33.962126
"282549"	253.147602	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+Cl"	34.969402
"675216"	362.236702	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+Cl"	34.969402
"1288069"	144.058502	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Cl"	34.969402
"31024"	255.126806	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M-2H+K"	36.948606
"470585"	364.215906	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M-2H+K"	36.948606
"847293"	146.037706	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-2H+K"	36.948606
"1570418"	146.037706	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+K-2H"	36.948606
"957691"	154.087294	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-H+HCOOH"	44.998194
"376759"	263.176401	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+HCOOH-H"	44.998201
"359054"	277.192051	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+Hac-H"	59.013851
"1508138"	168.102951	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Hac-H"	59.013851
"973736"	176.069251	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-H+NaCOOH"	66.980151
"125438"	144.058502	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+2Cl"	69.938804
"565450"	198.603052	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+2Cl"	69.938804
"1037005"	89.513952	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2Cl"	69.938804
"1255558"	188.007985	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Br"	78.918885
"1318251"	190.063972	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Cl+HCOOH"	80.974872
"1334899"	212.045929	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Cl+NaCOOH"	102.956829
"926443"	222.074686	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M-H+CF3COOH"	112.985586
"1303145"	258.051364	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Cl+CF3COOH"	148.962264
"1379239"	74.076424	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H-2H2O"	-35.012676
"1390903"	92.0864	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H-H2O"	-17.0027
"291683"	219.185476	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+H"	1.007276
"688847"	328.274576	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+H"	1.007276
"1366292"	110.096376	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H"	1.007276
"140638"	110.096376	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+2H"	2.014552
"581244"	164.640926	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+2H"	2.014552
"1048998"	55.551826	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2H"	2.014552
"215442"	73.7333426666667	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+3H"	3.021828
"659751"	110.096376	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+3H"	3.021828
"1178243"	37.3703093333333	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+3H"	3.021828
"439650"	236.212023	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+NH4"	18.033823
"801252"	345.301123	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+NH4"	18.033823
"1685716"	127.122923	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+NH4"	18.033823
"334361"	118.6096495	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+H+NH4"	19.041099
"728971"	173.1541995	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+H+NH4"	19.041099
"1486801"	64.0650995	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H+NH4"	19.041099
"405479"	241.167418	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+Na"	22.989218
"763193"	350.256518	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+Na"	22.989218
"1610197"	132.078318	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Na"	22.989218
"318045"	121.087347	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+H+Na"	23.996494
"709372"	175.631897	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+H+Na"	23.996494
"1462463"	66.542797	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H+Na"	23.996494
"1057531"	44.6976233333333	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2H+Na"	25.00377
"1259575"	142.122586	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+CH3OH+H"	33.033486
"381070"	257.141358	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+K"	38.963158
"748629"	366.230458	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+K"	38.963158
"1552870"	148.052258	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+K"	38.963158
"311877"	129.074317	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+H+K"	39.970434
"705387"	183.618867	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+H+K"	39.970434
"1456299"	74.529767	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H+K"	39.970434
"248181"	260.212026	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+ACN+H"	42.033826
"1223076"	151.122926	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+ACN+H"	42.033826
"1198211"	76.065101	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+ACN+2H"	43.041102
"191809"	263.14936	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+2Na-H"	44.97116
"640482"	372.23846	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+2Na-H"	44.97116
"1139614"	154.06026	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2Na-H"	44.97116
"178165"	132.078318	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+2Na"	45.978436
"614445"	186.622868	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+2Na"	45.978436
"1121232"	77.533768	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2Na"	45.978436
"1406213"	52.0249373333333	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H+2Na"	46.985712
"1436506"	156.101846	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H+HCOOH"	47.012746
"225109"	137.11134	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+3H2O+2H"	56.04448
"1512443"	170.15389	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+IsoProp+H"	61.06479
"422339"	140.065288	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+Na+K"	61.952376
"777866"	194.609838	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+Na+K"	61.952376
"1677477"	85.520738	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Na+K"	61.952376
"262907"	282.193968	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+ACN+Na"	64.015768
"1239989"	173.104868	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+ACN+Na"	64.015768
"1726689"	173.128393	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+NH4+HCOOH"	64.039293
"1188763"	59.3522513333333	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+3Na"	68.967654
"1660488"	178.083788	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Na+HCOOH"	68.994688
"168440"	295.09724	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+2K-H"	76.91904
"609457"	404.18634	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+2K-H"	76.91904
"1095059"	186.00814	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2K-H"	76.91904
"150782"	148.052258	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"2M+2K"	77.926316
"590343"	202.596808	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"3M+2K"	77.926316
"1077042"	93.507708	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2K"	77.926316
"1110251"	188.022692	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2K+H"	78.933592
"1343356"	188.110307	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+DMSO+H"	79.021207
"1015166"	192.149476	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2ACN+H"	83.060376
"1534385"	193.143108	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+IsoProp+Na+H"	84.054008
"1001927"	96.578376	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+2ACN+2H"	84.067652
"1596431"	194.057728	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+K+HCOOH"	84.968628
"1425371"	224.089238	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+H+CF3COOH"	115.000138
"1161127"	117.091651	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+3ACN+2H"	125.094202
"1708491"	241.115785	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+NH4+CF3COOH"	132.026685
"1644142"	246.07118	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+Na+CF3COOH"	136.98208
"1573234"	262.04512	"C11520"	"Cyclohexyl isocyanide;N-Cyclohexylisocyanide;Cyclohexaneisonitrile"	"C7H11N"	"109.0891"	"M+K+CF3COOH"	152.95602
"814541"	630.0169	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M"	0
"988073"	610.99851	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-H2O-H"	-19.01839
"75221"	419.003990666667	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M-3H"	-3.021828
"510407"	629.009624	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M-3H"	-3.021828
"895261"	208.998357333333	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-3H"	-3.021828
"8971"	629.009624	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M-2H"	-2.014552
"448530"	944.018074	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M-2H"	-2.014552
"824147"	314.001174	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-2H"	-2.014552
"88514"	1259.026524	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M-H"	-1.007276
"532814"	1889.043424	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M-H"	-1.007276
"908065"	629.009624	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-H"	-1.007276
"60254"	1276.053071	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M-2H+NH4"	16.019271
"499815"	1906.069971	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M-2H+NH4"	16.019271
"876521"	646.036171	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-2H+NH4"	16.019271
"38955"	1281.008466	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M-2H+Na"	20.974666
"473290"	1911.025366	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M-2H+Na"	20.974666
"853037"	650.991566	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-2H+Na"	20.974666
"1626948"	650.991566	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Na-2H"	20.974666
"108943"	646.997963	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M-H+Cl"	33.962126
"541942"	962.006413	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M-H+Cl"	33.962126
"933269"	331.989513	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-H+Cl"	33.962126
"282175"	1295.003202	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+Cl"	34.969402
"674600"	1925.020102	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+Cl"	34.969402
"1287245"	664.986302	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Cl"	34.969402
"30649"	1296.982406	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M-2H+K"	36.948606
"470453"	1926.999306	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M-2H+K"	36.948606
"847522"	666.965506	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-2H+K"	36.948606
"1569918"	666.965506	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+K-2H"	36.948606
"957798"	675.015094	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-H+HCOOH"	44.998194
"376706"	1305.032001	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+HCOOH-H"	44.998201
"358797"	1319.047651	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+Hac-H"	59.013851
"1507967"	689.030751	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Hac-H"	59.013851
"973238"	696.997051	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-H+NaCOOH"	66.980151
"125187"	664.986302	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+2Cl"	69.938804
"564984"	979.994752	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+2Cl"	69.938804
"1036701"	349.977852	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2Cl"	69.938804
"1255547"	708.935785	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Br"	78.918885
"1318725"	710.991772	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Cl+HCOOH"	80.974872
"1335374"	732.973729	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Cl+NaCOOH"	102.956829
"926187"	743.002486	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M-H+CF3COOH"	112.985586
"1300096"	778.979164	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Cl+CF3COOH"	148.962264
"1379349"	595.004224	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H-2H2O"	-35.012676
"1391013"	613.0142	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H-H2O"	-17.0027
"292524"	1261.041076	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+H"	1.007276
"689565"	1891.057976	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+H"	1.007276
"1365309"	631.024176	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H"	1.007276
"141114"	631.024176	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+2H"	2.014552
"580797"	946.032626	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+2H"	2.014552
"1048379"	316.015726	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2H"	2.014552
"215916"	421.018542666667	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+3H"	3.021828
"659250"	631.024176	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+3H"	3.021828
"1178108"	211.012909333333	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+3H"	3.021828
"439435"	1278.067623	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+NH4"	18.033823
"800425"	1908.084523	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+NH4"	18.033823
"1682543"	648.050723	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+NH4"	18.033823
"334471"	639.5374495	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+H+NH4"	19.041099
"727257"	954.5458995	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+H+NH4"	19.041099
"1482170"	324.5289995	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H+NH4"	19.041099
"401214"	1283.023018	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+Na"	22.989218
"759292"	1913.039918	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+Na"	22.989218
"1608118"	653.006118	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Na"	22.989218
"317424"	642.015147	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+H+Na"	23.996494
"710939"	957.023597	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+H+Na"	23.996494
"1463665"	327.006697	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H+Na"	23.996494
"1055819"	218.340223333333	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2H+Na"	25.00377
"1259685"	663.050386	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+CH3OH+H"	33.033486
"380087"	1298.996958	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+K"	38.963158
"746553"	1929.013858	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+K"	38.963158
"1552980"	668.980058	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+K"	38.963158
"312349"	650.002117	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+H+K"	39.970434
"703675"	965.010567	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+H+K"	39.970434
"1457138"	334.993667	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H+K"	39.970434
"249384"	1302.067626	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+ACN+H"	42.033826
"1223915"	672.050726	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+ACN+H"	42.033826
"1199414"	336.529001	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+ACN+2H"	43.041102
"193376"	1305.00496	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+2Na-H"	44.97116
"639498"	1935.02186	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+2Na-H"	44.97116
"1140087"	674.98806	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2Na-H"	44.97116
"181191"	653.006118	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+2Na"	45.978436
"613945"	968.014568	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+2Na"	45.978436
"1119154"	337.997668	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2Na"	45.978436
"1404499"	225.667537333333	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H+2Na"	46.985712
"1436252"	677.029646	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H+HCOOH"	47.012746
"222667"	658.03914	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+3H2O+2H"	56.04448
"1511825"	691.08169	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+IsoProp+H"	61.06479
"422449"	660.993088	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+Na+K"	61.952376
"773237"	976.001538	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+Na+K"	61.952376
"1671026"	345.984638	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Na+K"	61.952376
"261924"	1324.049568	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+ACN+Na"	64.015768
"1234630"	694.032668	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+ACN+Na"	64.015768
"1726798"	694.056193	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+NH4+HCOOH"	64.039293
"1188873"	232.994851333333	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+3Na"	68.967654
"1662057"	699.011588	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Na+HCOOH"	68.994688
"169643"	1336.95284	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+2K-H"	76.91904
"610295"	1966.96974	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+2K-H"	76.91904
"1095169"	706.93594	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2K-H"	76.91904
"151985"	668.980058	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"2M+2K"	77.926316
"590453"	983.988508	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"3M+2K"	77.926316
"1076059"	353.971608	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2K"	77.926316
"1109268"	708.950492	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2K+H"	78.933592
"1342372"	709.038107	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+DMSO+H"	79.021207
"1014183"	713.077276	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2ACN+H"	83.060376
"1534495"	714.070908	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+IsoProp+Na+H"	84.054008
"1002037"	357.042276	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+2ACN+2H"	84.067652
"1596541"	714.985528	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+K+HCOOH"	84.968628
"1425481"	745.017038	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+H+CF3COOH"	115.000138
"1160873"	377.555551	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+3ACN+2H"	125.094202
"1708601"	762.043585	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+NH4+CF3COOH"	132.026685
"1645346"	766.99898	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+Na+CF3COOH"	136.98208
"1573344"	782.97292	"C11521"	"UDP-6-sulfoquinovose"	"C15H24N2O19P2S"	"630.0169"	"M+K+CF3COOH"	152.95602
"801530"	412.3705	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M"	0
"982710"	393.35211	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"66576"	273.906390666667	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"506136"	411.363224	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"881019"	136.449557333333	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"10174"	411.363224	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"444269"	617.548474	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"817451"	205.177974	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"79750"	823.733724	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"525995"	1236.104224	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"901610"	411.363224	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"52705"	840.760271	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"488984"	1253.130771	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"866786"	428.389771	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"34685"	845.715666	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"479716"	1258.086166	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"855331"	433.345166	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1622677"	433.345166	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"97019"	429.351563	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"534305"	635.536813	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"927298"	223.166313	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"268042"	859.710402	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"675428"	1272.080902	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1288381"	447.339902	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"31246"	861.689606	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"471294"	1274.060106	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"848434"	449.319106	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1571077"	449.319106	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"956082"	457.368694	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"375027"	869.739201	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"359270"	883.754851	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1497895"	471.384351	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"972735"	479.350651	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"124922"	447.339902	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"563026"	653.525152	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1035836"	241.154652	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1255656"	491.289385	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1317128"	493.345372	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1327699"	515.327329	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"916569"	525.356086	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1295463"	561.332764	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1372529"	377.357824	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1387838"	395.3678	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"286431"	825.748276	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"678852"	1238.118776	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1359575"	413.377776	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"132473"	413.377776	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"573490"	619.563026	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1043749"	207.192526	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"209829"	275.920942666667	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"652671"	413.377776	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1166423"	138.464109333333	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"430789"	842.774823	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"795066"	1255.145323	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1684476"	430.404323	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"332391"	421.8910495	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"723474"	628.0762995	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1480090"	215.7057995	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"394395"	847.730218	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"755390"	1260.100718	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1602734"	435.359718	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"314330"	424.368747	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"707186"	630.553997	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1461447"	218.183497	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1052955"	145.791423333333	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1257309"	445.403986	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"377119"	863.704158	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"738574"	1276.074658	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1550903"	451.333658	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"311366"	432.355717	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"703785"	638.540967	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1458340"	226.170467	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"250102"	866.774826	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1224389"	454.404326	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1200618"	227.705801	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"193850"	869.71216	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"640337"	1282.08266	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1142021"	457.34166	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"182030"	435.359718	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"615029"	641.544968	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1122180"	229.174468	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1404609"	153.118737333333	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1435633"	459.383246	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"223505"	440.39274	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1512663"	473.43529	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"418186"	443.346688	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"774806"	649.531938	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1673322"	237.161438	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"259847"	888.756768	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1234740"	476.386268	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1723628"	476.409793	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1188983"	160.446051333333	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1662529"	481.365188	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"170482"	901.66004	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"610405"	1314.03054	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1095279"	489.28954	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"149908"	451.333658	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"587283"	657.518908	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1075075"	245.148408	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1110470"	491.304092	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1340295"	491.391707	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1016480"	495.430876	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1534605"	496.424508	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"1004333"	248.219076	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1601025"	497.339128	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1423404"	527.370638	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1159160"	268.732351	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1705430"	544.397185	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1646549"	549.35258	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1573454"	565.32652	"C11522"	"24-Methylenelophenol;4-alpha-Methyl-5-alpha-ergosta-724-dien-3-beta-ol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"803818"	426.3862	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M"	0
"982820"	407.36781	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"66686"	283.250190666667	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"506246"	425.378924	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"884044"	141.121457333333	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"8097"	425.378924	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"443286"	638.572024	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"818897"	212.185824	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"78609"	851.765124	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"519665"	1278.151324	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"897346"	425.378924	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"47669"	868.791671	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"487511"	1295.177871	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"865434"	442.405471	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"32001"	873.747066	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"476546"	1300.133266	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"851068"	447.360866	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1621694"	447.360866	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"97129"	443.367263	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"534350"	656.560363	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"927147"	230.174163	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"268395"	887.741802	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"675499"	1314.128002	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287699"	461.355602	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30620"	889.721006	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"470787"	1316.107206	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"848346"	463.334806	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1570818"	463.334806	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"957608"	471.384394	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"375866"	897.770601	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"355733"	911.786251	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1498005"	485.400051	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"972481"	493.366351	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"124304"	461.355602	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"561678"	674.548702	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1035580"	248.162502	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1255886"	505.305085	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1317966"	507.361072	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1327809"	529.343029	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"919959"	539.371786	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1294479"	575.348464	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1377013"	391.373524	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1387948"	409.3835	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"285445"	853.779676	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"678960"	1280.165876	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1358591"	427.393476	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"134770"	427.393476	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"575423"	640.586576	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1044223"	214.200376	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"209939"	285.264742666667	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"652417"	427.393476	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1167626"	143.136009333333	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"431992"	870.806223	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"787521"	1297.192423	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1688231"	444.420023	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"333593"	435.9067495	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"724921"	649.0998495	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1478742"	222.7136495	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"397422"	875.761618	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"757323"	1302.147818	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1603062"	449.375418	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"314474"	438.384447	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"707867"	651.577547	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1461561"	225.191347	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1053396"	150.463323333333	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1257343"	459.419686	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"377740"	891.735558	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"738571"	1318.121758	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1548826"	465.349358	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"310377"	446.371417	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"698422"	659.564517	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1455528"	233.178317	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"246319"	894.806226	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1223404"	468.420026	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1200728"	234.713651	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"193960"	897.74356	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"639718"	1324.12976	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1142131"	471.35736	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"180316"	449.375418	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"614775"	662.568518	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1119010"	236.182318	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1403627"	157.790637333333	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1438659"	473.398946	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"221064"	454.40844	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1509124"	487.45099	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"410268"	457.362388	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"773818"	670.555488	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1671245"	244.169288	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"262143"	916.788168	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1234850"	490.401968	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1717177"	490.425493	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1188000"	165.117951333333	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1662638"	495.380888	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"170228"	929.69144	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"610515"	1356.07764	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1092473"	503.30524	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"145644"	465.349358	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"588486"	678.542458	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1077372"	252.156258	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1109488"	505.319792	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1339311"	505.407407	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1015496"	509.446576	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1531435"	510.440208	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1001163"	255.226926	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1598949"	511.354828	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1423514"	541.386338	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1159270"	275.740201	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1705540"	558.412885	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1646659"	563.36828	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1573564"	579.34222	"C11523"	"24-Ethylidenelophenol;alpha1-Sitosterol;4-alpha-Methyl-5-alpha-stigmasta-7Z-24-dien-3-beta-ol;(Z)-24-Ethylidenelophenol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"809398"	739.8277	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M"	0
"984029"	720.80931	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H2O-H"	-19.01839
"77010"	492.211190666667	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-3H"	-3.021828
"517301"	738.820424	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-3H"	-3.021828
"891820"	245.601957333333	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-3H"	-3.021828
"3835"	738.820424	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H"	-2.014552
"441572"	1108.734274	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H"	-2.014552
"828852"	368.906574	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H"	-2.014552
"86658"	1478.648124	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-H"	-1.007276
"530594"	2218.475824	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-H"	-1.007276
"904021"	738.820424	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H"	-1.007276
"55114"	1495.674671	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H+NH4"	16.019271
"493580"	2235.502371	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H+NH4"	16.019271
"869197"	755.846971	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H+NH4"	16.019271
"36004"	1500.630066	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H+Na"	20.974666
"473377"	2240.457766	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H+Na"	20.974666
"855556"	760.802366	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H+Na"	20.974666
"1625090"	760.802366	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na-2H"	20.974666
"99431"	756.808763	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-H+Cl"	33.962126
"537898"	1126.722613	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-H+Cl"	33.962126
"942363"	386.894913	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+Cl"	33.962126
"282501"	1514.624802	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Cl"	34.969402
"673706"	2254.452502	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+Cl"	34.969402
"1285740"	774.797102	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl"	34.969402
"29880"	1516.604006	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M-2H+K"	36.948606
"469927"	2256.431706	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M-2H+K"	36.948606
"847602"	776.776306	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-2H+K"	36.948606
"1569512"	776.776306	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K-2H"	36.948606
"957393"	784.825894	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+HCOOH"	44.998194
"374877"	1524.653601	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+HCOOH-H"	44.998201
"357676"	1538.669251	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Hac-H"	59.013851
"1507238"	798.841551	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Hac-H"	59.013851
"968217"	806.807851	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+NaCOOH"	66.980151
"121135"	774.797102	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2Cl"	69.938804
"561788"	1144.710952	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2Cl"	69.938804
"1032775"	404.883252	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2Cl"	69.938804
"1252718"	818.746585	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Br"	78.918885
"1317719"	820.802572	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl+HCOOH"	80.974872
"1331200"	842.784529	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl+NaCOOH"	102.956829
"925904"	852.813286	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M-H+CF3COOH"	112.985586
"1301151"	888.789964	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Cl+CF3COOH"	148.962264
"1377124"	704.815024	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H-2H2O"	-35.012676
"1393161"	722.825	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H-H2O"	-17.0027
"288838"	1480.662676	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H"	1.007276
"687832"	2220.490376	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H"	1.007276
"1363086"	740.834976	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H"	1.007276
"139260"	740.834976	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2H"	2.014552
"580648"	1110.748826	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2H"	2.014552
"1046528"	370.921126	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2H"	2.014552
"213334"	494.225742666667	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+3H"	3.021828
"652895"	740.834976	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+3H"	3.021828
"1174301"	247.616509333333	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+3H"	3.021828
"428830"	1497.689223	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+NH4"	18.033823
"790189"	2237.516923	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+NH4"	18.033823
"1684330"	757.861523	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+NH4"	18.033823
"330786"	749.3482495	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H+NH4"	19.041099
"722915"	1119.2620995	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H+NH4"	19.041099
"1479580"	379.4343995	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+NH4"	19.041099
"395344"	1502.644618	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Na"	22.989218
"755365"	2242.472318	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+Na"	22.989218
"1605165"	762.816918	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na"	22.989218
"315323"	751.825947	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H+Na"	23.996494
"709198"	1121.739797	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H+Na"	23.996494
"1462654"	381.912097	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+Na"	23.996494
"1052980"	254.943823333333	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2H+Na"	25.00377
"1258184"	772.861186	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+CH3OH+H"	33.033486
"388075"	1518.618558	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+K"	38.963158
"751259"	2258.446258	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+K"	38.963158
"1554041"	778.790858	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K"	38.963158
"310491"	759.812917	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+H+K"	39.970434
"700723"	1129.726767	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+H+K"	39.970434
"1455639"	389.899067	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+K"	39.970434
"249958"	1521.689226	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+ACN+H"	42.033826
"1216954"	781.861526	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+ACN+H"	42.033826
"1206304"	391.434401	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+ACN+2H"	43.041102
"198811"	1524.62656	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2Na-H"	44.97116
"638735"	2264.45426	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2Na-H"	44.97116
"1142241"	784.79886	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2Na-H"	44.97116
"180426"	762.816918	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2Na"	45.978436
"613463"	1132.730768	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2Na"	45.978436
"1116445"	392.903068	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2Na"	45.978436
"1399727"	262.271137333333	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+2Na"	46.985712
"1432571"	786.840446	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+HCOOH"	47.012746
"222631"	767.84994	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+3H2O+2H"	56.04448
"1511786"	800.89249	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+IsoProp+H"	61.06479
"410016"	770.803888	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+Na+K"	61.952376
"781594"	1140.717738	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+Na+K"	61.952376
"1675735"	400.890038	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na+K"	61.952376
"265543"	1543.671168	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+ACN+Na"	64.015768
"1235702"	803.843468	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+ACN+Na"	64.015768
"1722400"	803.866993	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+NH4+HCOOH"	64.039293
"1188116"	269.598451333333	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+3Na"	68.967654
"1660197"	808.822388	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na+HCOOH"	68.994688
"167785"	1556.57444	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2K-H"	76.91904
"610625"	2296.40214	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2K-H"	76.91904
"1095137"	816.74674	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2K-H"	76.91904
"147942"	778.790858	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"2M+2K"	77.926316
"588597"	1148.704708	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"3M+2K"	77.926316
"1070922"	408.877008	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2K"	77.926316
"1106318"	818.761292	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2K+H"	78.933592
"1338329"	818.848907	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+DMSO+H"	79.021207
"1010139"	822.888076	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2ACN+H"	83.060376
"1530450"	823.881708	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+IsoProp+Na+H"	84.054008
"993617"	411.947676	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+2ACN+2H"	84.067652
"1588121"	824.796328	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K+HCOOH"	84.968628
"1418156"	854.827838	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+H+CF3COOH"	115.000138
"1152818"	432.460951	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+3ACN+2H"	125.094202
"1702369"	871.854385	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+NH4+CF3COOH"	132.026685
"1638020"	876.80978	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+Na+CF3COOH"	136.98208
"1573672"	892.78372	"C11526"	"5-PP-InsP5;5-Diphosphoinositol pentakisphosphate;1D-myo-Inositol 5-diphosphate pentakisphosphate;1D-myo-Inositol 5-diphosphate 12346-pentakisphosphate"	"C6H19O27P7"	"739.8277"	"M+K+CF3COOH"	152.95602
"802946"	168.0423	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M"	0
"987418"	149.02391	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"76027"	111.020924	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"514131"	167.035024	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"893023"	55.006824	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"5038"	167.035024	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"442411"	251.056174	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"823495"	83.013874	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"82394"	335.077324	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"528514"	503.119624	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"897081"	167.035024	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"49757"	352.103871	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"490410"	520.146171	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"868214"	184.061571	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"33440"	357.059266	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"473729"	525.101566	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"852384"	189.016966	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1621919"	189.016966	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"97354"	185.023363	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"540194"	269.044513	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"941252"	101.002213	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"282124"	371.054002	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"675277"	539.096302	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1288045"	203.011702	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"30475"	373.033206	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"470888"	541.075506	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"848079"	204.990906	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1570350"	204.990906	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"957751"	213.040494	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"374988"	381.082801	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"357783"	395.098451	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1508076"	227.056151	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"967961"	235.022451	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"123429"	203.011702	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"560804"	287.032852	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1034706"	118.990552	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1252464"	246.961185	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1319531"	249.017172	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1335573"	270.999129	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"923097"	281.027886	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1301262"	317.004564	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1379059"	133.029624	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1393271"	151.0396	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"290041"	337.091876	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"687941"	505.134176	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1357729"	169.049576	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"138277"	169.049576	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"576747"	253.070726	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1047731"	85.028426	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"210164"	113.035476	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"650818"	169.049576	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1173317"	57.021376	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"430033"	354.118423	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"792120"	522.160723	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1683711"	186.076123	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"330647"	177.5628495	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"724776"	261.5839995	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1479325"	93.5416995	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"396183"	359.073818	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"755718"	527.116118	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1605275"	191.031518	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"316404"	180.040547	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"710645"	264.061697	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1464830"	96.019397	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1053216"	64.34869	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1260116"	201.075786	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"388185"	375.047758	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"750275"	543.090058	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1554515"	207.005458	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"310601"	188.027517	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"700833"	272.048667	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1452467"	104.006367	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"248731"	378.118426	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1218157"	210.076126	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1206415"	105.541701	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"199285"	381.05576	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"638846"	549.09806	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1142351"	213.01346	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"184912"	191.031518	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"615724"	275.052668	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1116676"	107.010368	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1399958"	71.676004	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1431953"	215.055046	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"226386"	196.06454	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1512626"	229.10709	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"411218"	199.018488	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"783160"	283.039638	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1673656"	114.997338	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"265649"	400.100368	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1236175"	232.058068	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1724331"	232.081593	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1190777"	79.003318	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1660670"	237.036988	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"171175"	413.00364	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"609641"	581.04594	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1095247"	244.96134	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"150238"	207.005458	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"586521"	291.026608	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1070061"	122.984308	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1104242"	246.975892	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1341719"	247.063507	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1010249"	251.102676	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1528374"	252.096308	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"992634"	126.054976	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1587255"	253.010928	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1416079"	283.042438	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1154022"	146.568251	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1700293"	300.068985	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1639223"	305.02438	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1571960"	320.99832	"C11527"	"4-Hydroxymandelate;4-Hydroxymandelic acid"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"803059"	312.1056	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M"	0
"985340"	293.08721	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-H2O-H"	-19.01839
"74677"	207.063124	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M-3H"	-3.021828
"514236"	311.098324	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M-3H"	-3.021828
"887665"	103.027924	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-3H"	-3.021828
"651"	311.098324	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M-2H"	-2.014552
"449081"	467.151124	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M-2H"	-2.014552
"822506"	155.045524	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-2H"	-2.014552
"82504"	623.203924	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M-H"	-1.007276
"519998"	935.309524	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M-H"	-1.007276
"896828"	311.098324	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-H"	-1.007276
"48036"	640.230471	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M-2H+NH4"	16.019271
"488697"	952.336071	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M-2H+NH4"	16.019271
"868325"	328.124871	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-2H+NH4"	16.019271
"43155"	645.185866	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M-2H+Na"	20.974666
"483811"	957.291466	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M-2H+Na"	20.974666
"857966"	333.080266	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-2H+Na"	20.974666
"1631875"	333.080266	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Na-2H"	20.974666
"104034"	329.086663	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M-H+Cl"	33.962126
"547968"	485.139463	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M-H+Cl"	33.962126
"942182"	173.033863	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-H+Cl"	33.962126
"281744"	659.180602	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+Cl"	34.969402
"673555"	971.286202	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+Cl"	34.969402
"1287664"	347.075002	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Cl"	34.969402
"31030"	661.159806	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M-2H+K"	36.948606
"466985"	973.265406	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M-2H+K"	36.948606
"845878"	349.054206	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-2H+K"	36.948606
"1564988"	349.054206	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+K-2H"	36.948606
"945225"	357.103794	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-H+HCOOH"	44.998194
"368906"	669.209401	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+HCOOH-H"	44.998201
"351696"	683.225051	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+Hac-H"	59.013851
"1500527"	371.119451	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Hac-H"	59.013851
"970987"	379.085751	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-H+NaCOOH"	66.980151
"118070"	347.075002	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+2Cl"	69.938804
"562369"	503.127802	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+2Cl"	69.938804
"1034451"	191.022202	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2Cl"	69.938804
"1254760"	391.024485	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Br"	78.918885
"1317932"	393.080472	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Cl+HCOOH"	80.974872
"1334338"	415.062429	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Cl+NaCOOH"	102.956829
"924301"	425.091186	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M-H+CF3COOH"	112.985586
"1298094"	461.067864	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Cl+CF3COOH"	148.962264
"1375159"	277.092924	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H-2H2O"	-35.012676
"1396679"	295.1029	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H-H2O"	-17.0027
"297093"	625.218476	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+H"	1.007276
"689879"	937.324076	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+H"	1.007276
"1358934"	313.112876	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H"	1.007276
"139481"	313.112876	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+2H"	2.014552
"579042"	469.165676	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+2H"	2.014552
"1050028"	157.060076	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2H"	2.014552
"215741"	209.077676	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+3H"	3.021828
"649839"	313.112876	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+3H"	3.021828
"1171243"	105.042476	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+3H"	3.021828
"424552"	642.245023	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+NH4"	18.033823
"788950"	954.350623	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+NH4"	18.033823
"1682242"	330.139423	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+NH4"	18.033823
"330156"	321.6261495	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+H+NH4"	19.041099
"725251"	477.6789495	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+H+NH4"	19.041099
"1479070"	165.5733495	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H+NH4"	19.041099
"395198"	647.200418	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+Na"	22.989218
"759477"	959.306018	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+Na"	22.989218
"1606481"	335.094818	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Na"	22.989218
"318708"	324.103847	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+H+Na"	23.996494
"712589"	480.156647	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+H+Na"	23.996494
"1466409"	168.051047	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H+Na"	23.996494
"1067807"	112.36979	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2H+Na"	25.00377
"1268629"	345.139086	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+CH3OH+H"	33.033486
"390122"	663.174358	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+K"	38.963158
"750388"	975.279958	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+K"	38.963158
"1549160"	351.068758	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+K"	38.963158
"311441"	332.090817	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+H+K"	39.970434
"706383"	488.143617	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+H+K"	39.970434
"1460968"	176.038017	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H+K"	39.970434
"249570"	666.245026	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+ACN+H"	42.033826
"1223006"	354.139426	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+ACN+H"	42.033826
"1207862"	177.573351	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+ACN+2H"	43.041102
"199395"	669.18236	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+2Na-H"	44.97116
"637863"	981.28796	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+2Na-H"	44.97116
"1133348"	357.07676	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2Na-H"	44.97116
"177367"	335.094818	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+2Na"	45.978436
"616562"	491.147618	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+2Na"	45.978436
"1121160"	179.042018	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2Na"	45.978436
"1410151"	119.697104	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H+2Na"	46.985712
"1437894"	359.118346	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H+HCOOH"	47.012746
"233056"	340.12784	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+3H2O+2H"	56.04448
"1522962"	373.17039	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+IsoProp+H"	61.06479
"422283"	343.081788	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+Na+K"	61.952376
"779630"	499.134588	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+Na+K"	61.952376
"1668672"	187.028988	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Na+K"	61.952376
"259203"	688.226968	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+ACN+Na"	64.015768
"1235192"	376.121368	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+ACN+Na"	64.015768
"1724441"	376.144893	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+NH4+HCOOH"	64.039293
"1189432"	127.024418	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+3Na"	68.967654
"1661876"	381.100288	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Na+HCOOH"	68.994688
"169465"	701.13024	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+2K-H"	76.91904
"603557"	1013.23584	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+2K-H"	76.91904
"1096821"	389.02464	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2K-H"	76.91904
"151447"	351.068758	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"2M+2K"	77.926316
"586631"	507.121558	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"3M+2K"	77.926316
"1073330"	195.015958	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2K"	77.926316
"1107633"	391.039192	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2K+H"	78.933592
"1336848"	391.126807	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+DMSO+H"	79.021207
"1010359"	395.165976	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2ACN+H"	83.060376
"1524588"	396.159608	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+IsoProp+Na+H"	84.054008
"990307"	198.086626	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+2ACN+2H"	84.067652
"1587200"	397.074228	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+K+HCOOH"	84.968628
"1417283"	427.105738	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+H+CF3COOH"	115.000138
"1151945"	218.599901	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+3ACN+2H"	125.094202
"1697608"	444.132285	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+NH4+CF3COOH"	132.026685
"1634717"	449.08768	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+Na+CF3COOH"	136.98208
"1571386"	465.06162	"C11535"	"6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose;beta-Primeverose"	"C11H20O10"	"312.1056"	"M+K+CF3COOH"	152.95602
"803169"	249.9548	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M"	0
"986543"	230.93641	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-H2O-H"	-19.01839
"77341"	165.629257333333	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M-3H"	-3.021828
"517626"	248.947524	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M-3H"	-3.021828
"891055"	82.3109906666667	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-3H"	-3.021828
"4165"	248.947524	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M-2H"	-2.014552
"449191"	373.924924	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M-2H"	-2.014552
"819701"	123.970124	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-2H"	-2.014552
"79697"	498.902324	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M-H"	-1.007276
"523267"	748.857124	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M-H"	-1.007276
"896448"	248.947524	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-H"	-1.007276
"48276"	515.928871	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M-2H+NH4"	16.019271
"488319"	765.883671	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M-2H+NH4"	16.019271
"865761"	265.974071	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-2H+NH4"	16.019271
"44360"	520.884266	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M-2H+Na"	20.974666
"483921"	770.839066	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M-2H+Na"	20.974666
"857712"	270.929466	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-2H+Na"	20.974666
"1625422"	270.929466	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Na-2H"	20.974666
"105966"	266.935863	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M-H+Cl"	33.962126
"546985"	391.913263	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M-H+Cl"	33.962126
"942324"	141.958463	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-H+Cl"	33.962126
"282783"	534.879002	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+Cl"	34.969402
"674516"	784.833802	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+Cl"	34.969402
"1287895"	284.924202	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Cl"	34.969402
"30531"	536.858206	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M-2H+K"	36.948606
"470376"	786.813006	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M-2H+K"	36.948606
"848260"	286.903406	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-2H+K"	36.948606
"1570895"	286.903406	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+K-2H"	36.948606
"949708"	294.952994	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-H+HCOOH"	44.998194
"371202"	544.907801	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+HCOOH-H"	44.998201
"357271"	558.923451	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+Hac-H"	59.013851
"1498450"	308.968651	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Hac-H"	59.013851
"971095"	316.934951	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-H+NaCOOH"	66.980151
"119273"	284.924202	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+2Cl"	69.938804
"561749"	409.901602	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+2Cl"	69.938804
"1034928"	159.946802	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2Cl"	69.938804
"1255235"	328.873685	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Br"	78.918885
"1318773"	330.929672	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Cl+HCOOH"	80.974872
"1334814"	352.911629	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Cl+NaCOOH"	102.956829
"926235"	362.940386	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M-H+CF3COOH"	112.985586
"1299297"	398.917064	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Cl+CF3COOH"	148.962264
"1373447"	214.942124	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H-2H2O"	-35.012676
"1396059"	232.9521	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H-H2O"	-17.0027
"295744"	500.916876	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+H"	1.007276
"689261"	750.871676	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+H"	1.007276
"1352484"	250.962076	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H"	1.007276
"139591"	250.962076	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+2H"	2.014552
"578058"	375.939476	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+2H"	2.014552
"1047952"	125.984676	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2H"	2.014552
"213664"	167.643809333333	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+3H"	3.021828
"651043"	250.962076	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+3H"	3.021828
"1173540"	84.3255426666667	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+3H"	3.021828
"424345"	517.943423	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+NH4"	18.033823
"789424"	767.898223	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+NH4"	18.033823
"1682231"	267.988623	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+NH4"	18.033823
"334398"	259.4753495	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+H+NH4"	19.041099
"724996"	384.4527495	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+H+NH4"	19.041099
"1477635"	134.4979495	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H+NH4"	19.041099
"394214"	522.898818	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+Na"	22.989218
"759586"	772.853618	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+Na"	22.989218
"1607684"	272.944018	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Na"	22.989218
"317724"	261.953047	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+H+Na"	23.996494
"713428"	386.930447	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+H+Na"	23.996494
"1467248"	136.975647	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H+Na"	23.996494
"1066699"	91.6528566666667	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2H+Na"	25.00377
"1265460"	282.988286	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+CH3OH+H"	33.033486
"389503"	538.872758	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+K"	38.963158
"750498"	788.827558	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+K"	38.963158
"1547084"	288.917958	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+K"	38.963158
"311551"	269.940017	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+H+K"	39.970434
"706653"	394.917417	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+H+K"	39.970434
"1460350"	144.962617	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H+K"	39.970434
"251097"	541.943426	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+ACN+H"	42.033826
"1223845"	291.988626	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+ACN+H"	42.033826
"1208458"	146.497951	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+ACN+2H"	43.041102
"199504"	544.88076	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+2Na-H"	44.97116
"637609"	794.83556	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+2Na-H"	44.97116
"1132968"	294.92596	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2Na-H"	44.97116
"174800"	272.944018	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+2Na"	45.978436
"616306"	397.921418	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+2Na"	45.978436
"1127469"	147.966618	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2Na"	45.978436
"1410260"	98.9801706666667	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H+2Na"	46.985712
"1435818"	296.967546	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H+HCOOH"	47.012746
"233533"	277.97704	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+3H2O+2H"	56.04448
"1522463"	311.01959	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+IsoProp+H"	61.06479
"423246"	280.930988	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+Na+K"	61.952376
"783020"	405.908388	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+Na+K"	61.952376
"1673886"	155.953588	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Na+K"	61.952376
"259313"	563.925368	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+ACN+Na"	64.015768
"1235302"	313.970568	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+ACN+Na"	64.015768
"1723091"	313.994093	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+NH4+HCOOH"	64.039293
"1190272"	106.307484666667	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+3Na"	68.967654
"1660528"	318.949488	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Na+HCOOH"	68.994688
"167753"	576.82864	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+2K-H"	76.91904
"603667"	826.78344	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+2K-H"	76.91904
"1095470"	326.87384	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2K-H"	76.91904
"150099"	288.917958	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"2M+2K"	77.926316
"586741"	413.895358	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"3M+2K"	77.926316
"1070160"	163.940558	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2K"	77.926316
"1107743"	328.888392	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2K+H"	78.933592
"1338660"	328.976007	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+DMSO+H"	79.021207
"1011564"	333.015176	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2ACN+H"	83.060376
"1524942"	334.008808	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+IsoProp+Na+H"	84.054008
"990418"	167.011226	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+2ACN+2H"	84.067652
"1587476"	334.923428	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+K+HCOOH"	84.968628
"1414596"	364.954938	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+H+CF3COOH"	115.000138
"1150960"	187.524501	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+3ACN+2H"	125.094202
"1697473"	381.981485	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+NH4+CF3COOH"	132.026685
"1636165"	386.93688	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+Na+CF3COOH"	136.98208
"1571374"	402.91082	"C11536"	"(2R)-O-Phospho-3-sulfolactate;(2R)-Phosphosulfolactate"	"C3H7O9PS"	"249.9548"	"M+K+CF3COOH"	152.95602
"809840"	169.9885	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M"	0
"986654"	150.97011	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H2O-H"	-19.01839
"73806"	112.318390666667	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-3H"	-3.021828
"516642"	168.981224	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-3H"	-3.021828
"891165"	55.6555573333333	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-3H"	-3.021828
"1116"	168.981224	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H"	-2.014552
"452581"	253.975474	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H"	-2.014552
"821997"	83.986974	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H"	-2.014552
"79808"	338.969724	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H"	-1.007276
"523377"	508.958224	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H"	-1.007276
"896070"	168.981224	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H"	-1.007276
"48266"	355.996271	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+NH4"	16.019271
"487582"	525.984771	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+NH4"	16.019271
"865629"	186.007771	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+NH4"	16.019271
"44835"	360.951666	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+Na"	20.974666
"483302"	530.940166	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+Na"	20.974666
"857822"	190.963166	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+Na"	20.974666
"1626625"	190.963166	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na-2H"	20.974666
"105347"	186.969563	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H+Cl"	33.962126
"544907"	271.963813	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H+Cl"	33.962126
"940609"	101.975313	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+Cl"	33.962126
"280261"	374.946402	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Cl"	34.969402
"674747"	544.934902	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Cl"	34.969402
"1287639"	204.957902	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl"	34.969402
"29462"	376.925606	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+K"	36.948606
"470482"	546.914106	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+K"	36.948606
"845002"	206.937106	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+K"	36.948606
"1569584"	206.937106	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K-2H"	36.948606
"954191"	214.986694	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+HCOOH"	44.998194
"372405"	384.975201	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+HCOOH-H"	44.998201
"354101"	398.990851	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Hac-H"	59.013851
"1501840"	229.002351	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Hac-H"	59.013851
"967196"	236.968651	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+NaCOOH"	66.980151
"116103"	204.957902	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Cl"	69.938804
"558943"	289.952152	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Cl"	69.938804
"1034670"	119.963652	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Cl"	69.938804
"1254250"	248.907385	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Br"	78.918885
"1319126"	250.963372	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+HCOOH"	80.974872
"1334799"	272.945329	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+NaCOOH"	102.956829
"925249"	282.974086	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+CF3COOH"	112.985586
"1299407"	318.950764	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+CF3COOH"	148.962264
"1369913"	134.975824	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-2H2O"	-35.012676
"1397262"	152.9858	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-H2O"	-17.0027
"296946"	340.984276	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H"	1.007276
"690343"	510.972776	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H"	1.007276
"1353322"	170.995776	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H"	1.007276
"134234"	170.995776	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2H"	2.014552
"579871"	255.990026	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2H"	2.014552
"1049156"	86.001526	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H"	2.014552
"212682"	114.332942666667	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H"	3.021828
"650060"	170.995776	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+3H"	3.021828
"1169276"	57.6701093333333	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3H"	3.021828
"424527"	358.010823	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+NH4"	18.033823
"786616"	527.999323	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+NH4"	18.033823
"1685502"	188.022323	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4"	18.033823
"331956"	179.5090495	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+NH4"	19.041099
"723034"	264.5032995	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+NH4"	19.041099
"1477301"	94.5147995	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+NH4"	19.041099
"393959"	362.966218	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na"	22.989218
"756779"	532.954718	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na"	22.989218
"1606698"	192.977718	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na"	22.989218
"316741"	181.986747	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+Na"	23.996494
"714631"	266.980997	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+Na"	23.996494
"1466265"	96.992497	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+Na"	23.996494
"1067538"	64.9974233333333	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H+Na"	25.00377
"1265570"	203.021986	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+CH3OH+H"	33.033486
"391801"	378.940158	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+K"	38.963158
"750608"	548.928658	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+K"	38.963158
"1545007"	208.951658	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K"	38.963158
"308745"	189.973717	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+K"	39.970434
"707056"	274.967967	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+K"	39.970434
"1460582"	104.979467	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+K"	39.970434
"249790"	382.010826	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+H"	42.033826
"1223591"	212.022326	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+H"	42.033826
"1207475"	106.514801	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+2H"	43.041102
"199250"	384.94816	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na-H"	44.97116
"639176"	554.93666	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na-H"	44.97116
"1133201"	214.95966	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na-H"	44.97116
"175397"	192.977718	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na"	45.978436
"613985"	277.971968	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na"	45.978436
"1127943"	107.983468	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na"	45.978436
"1410370"	72.3247373333333	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+2Na"	46.985712
"1433375"	217.001246	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+HCOOH"	47.012746
"232549"	198.01074	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H2O+2H"	56.04448
"1523544"	231.05329	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+H"	61.06479
"424089"	200.964688	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na+K"	61.952376
"784223"	285.958938	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na+K"	61.952376
"1678007"	115.970438	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+K"	61.952376
"261610"	403.992768	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+Na"	64.015768
"1237599"	234.004268	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+Na"	64.015768
"1725025"	234.027793	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+HCOOH"	64.039293
"1190383"	79.6520513333333	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3Na"	68.967654
"1662096"	238.983188	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+HCOOH"	68.994688
"168227"	416.89604	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K-H"	76.91904
"606693"	586.88454	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K-H"	76.91904
"1096674"	246.90754	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K-H"	76.91904
"150209"	208.951658	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K"	77.926316
"589038"	293.945908	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K"	77.926316
"1073551"	123.957408	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K"	77.926316
"1107853"	248.922092	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K+H"	78.933592
"1338772"	249.009707	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+DMSO+H"	79.021207
"1006811"	253.048876	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+H"	83.060376
"1525059"	254.042508	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+Na+H"	84.054008
"991142"	127.028076	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+2H"	84.067652
"1587466"	254.957128	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+HCOOH"	84.968628
"1414461"	284.988638	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+CF3COOH"	115.000138
"1151070"	147.541351	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3ACN+2H"	125.094202
"1699532"	302.015185	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+CF3COOH"	132.026685
"1636642"	306.97058	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+CF3COOH"	136.98208
"1571362"	322.94452	"C11537"	"(2R)-3-Sulfolactate;(R)-3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+CF3COOH"	152.95602
"803389"	919.2084	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M"	0
"986764"	900.19001	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-H2O-H"	-19.01839
"77197"	611.798324	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M-3H"	-3.021828
"517727"	918.201124	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M-3H"	-3.021828
"894555"	305.395524	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-3H"	-3.021828
"6572"	918.201124	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M-2H"	-2.014552
"451598"	1377.805324	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M-2H"	-2.014552
"822836"	458.596924	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-2H"	-2.014552
"78571"	1837.409524	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M-H"	-1.007276
"523487"	2756.617924	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M-H"	-1.007276
"896183"	918.201124	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-H"	-1.007276
"51289"	1854.436071	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M-2H+NH4"	16.019271
"491943"	2773.644471	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M-2H+NH4"	16.019271
"868651"	935.227671	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-2H+NH4"	16.019271
"36555"	1859.391466	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M-2H+Na"	20.974666
"477209"	2778.599866	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M-2H+Na"	20.974666
"856106"	940.183066	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-2H+Na"	20.974666
"1624545"	940.183066	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Na-2H"	20.974666
"105457"	936.189463	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M-H+Cl"	33.962126
"545745"	1395.793663	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M-H+Cl"	33.962126
"936344"	476.585263	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-H+Cl"	33.962126
"277088"	1873.386202	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+Cl"	34.969402
"674009"	2792.594602	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+Cl"	34.969402
"1283007"	954.177802	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Cl"	34.969402
"30426"	1875.365406	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M-2H+K"	36.948606
"467311"	2794.573806	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M-2H+K"	36.948606
"840739"	956.157006	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-2H+K"	36.948606
"1563133"	956.157006	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+K-2H"	36.948606
"953208"	964.206594	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-H+HCOOH"	44.998194
"372515"	1883.415001	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+HCOOH-H"	44.998201
"352025"	1897.430651	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+Hac-H"	59.013851
"1499764"	978.222251	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Hac-H"	59.013851
"965119"	986.188551	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-H+NaCOOH"	66.980151
"116212"	954.177802	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+2Cl"	69.938804
"561239"	1413.782002	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+2Cl"	69.938804
"1034417"	494.573602	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2Cl"	69.938804
"1254725"	998.127285	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Br"	78.918885
"1318993"	1000.183272	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Cl+HCOOH"	80.974872
"1335033"	1022.165229	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Cl+NaCOOH"	102.956829
"924874"	1032.193986	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M-H+CF3COOH"	112.985586
"1297330"	1068.170664	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Cl+CF3COOH"	148.962264
"1375491"	884.195724	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H-2H2O"	-35.012676
"1396279"	902.2057	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H-H2O"	-17.0027
"294869"	1839.424076	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+H"	1.007276
"687294"	2758.632476	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+H"	1.007276
"1355984"	920.215676	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H"	1.007276
"134344"	920.215676	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+2H"	2.014552
"574999"	1379.819876	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+2H"	2.014552
"1048172"	460.611476	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2H"	2.014552
"209512"	613.812876	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+3H"	3.021828
"650167"	920.215676	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+3H"	3.021828
"1166105"	307.410076	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+3H"	3.021828
"424636"	1856.450623	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+NH4"	18.033823
"785666"	2775.659023	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+NH4"	18.033823
"1683424"	937.242223	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+NH4"	18.033823
"332796"	928.7289495	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+H+NH4"	19.041099
"723514"	1388.3331495	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+H+NH4"	19.041099
"1477084"	469.1247495	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H+NH4"	19.041099
"394798"	1861.406018	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+Na"	22.989218
"755059"	2780.614418	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+Na"	22.989218
"1603891"	942.197618	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Na"	22.989218
"314857"	931.206647	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+H+Na"	23.996494
"708899"	1390.810847	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+H+Na"	23.996494
"1462726"	471.602447	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H+Na"	23.996494
"1065100"	314.73739	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2H+Na"	25.00377
"1265680"	952.241886	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+CH3OH+H"	33.033486
"390091"	1877.379958	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+K"	38.963158
"750354"	2796.588358	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+K"	38.963158
"1545117"	958.171558	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+K"	38.963158
"310314"	939.193617	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+H+K"	39.970434
"706754"	1398.797817	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+H+K"	39.970434
"1460813"	479.589417	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H+K"	39.970434
"250265"	1880.450626	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+ACN+H"	42.033826
"1222972"	961.242226	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+ACN+H"	42.033826
"1206856"	481.124751	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+ACN+2H"	43.041102
"197537"	1883.38796	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+2Na-H"	44.97116
"637098"	2802.59636	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+2Na-H"	44.97116
"1132217"	964.17956	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2Na-H"	44.97116
"175509"	942.197618	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+2Na"	45.978436
"616162"	1401.801818	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+2Na"	45.978436
"1128053"	482.593418	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2Na"	45.978436
"1408294"	322.064704	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H+2Na"	46.985712
"1433851"	966.221146	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H+HCOOH"	47.012746
"233387"	947.23064	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+3H2O+2H"	56.04448
"1514893"	980.27319	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+IsoProp+H"	61.06479
"412393"	950.184588	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+Na+K"	61.952376
"777765"	1409.788788	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+Na+K"	61.952376
"1671906"	490.580388	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Na+K"	61.952376
"263897"	1902.432568	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+ACN+Na"	64.015768
"1236245"	983.224168	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+ACN+Na"	64.015768
"1724406"	983.247693	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+NH4+HCOOH"	64.039293
"1191222"	329.392018	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+3Na"	68.967654
"1662935"	988.203088	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Na+HCOOH"	68.994688
"166514"	1915.33584	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+2K-H"	76.91904
"606803"	2834.54424	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+2K-H"	76.91904
"1096784"	996.12744	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2K-H"	76.91904
"150683"	958.171558	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"2M+2K"	77.926316
"590241"	1417.775758	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"3M+2K"	77.926316
"1074754"	498.567358	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2K"	77.926316
"1107963"	998.141992	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2K+H"	78.933592
"1338882"	998.229607	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+DMSO+H"	79.021207
"1011783"	1002.268776	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2ACN+H"	83.060376
"1524803"	1003.262408	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+IsoProp+Na+H"	84.054008
"991372"	501.638026	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+2ACN+2H"	84.067652
"1588672"	1004.177028	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+K+HCOOH"	84.968628
"1416519"	1034.208538	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+H+CF3COOH"	115.000138
"1147900"	522.151301	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+3ACN+2H"	125.094202
"1700006"	1051.235085	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+NH4+CF3COOH"	132.026685
"1636752"	1056.19048	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+Na+CF3COOH"	136.98208
"1571554"	1072.16442	"C11538"	"Cobalt-sirohydrochlorin;Cobalt-factor II"	"C42H44CoN4O16"	"919.2084"	"M+K+CF3COOH"	152.95602
"816706"	935.2397	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M"	0
"989308"	916.22131	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-H2O-H"	-19.01839
"78276"	622.485857333333	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M-3H"	-3.021828
"516865"	934.232424	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M-3H"	-3.021828
"891385"	310.739290666667	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-3H"	-3.021828
"6682"	934.232424	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M-2H"	-2.014552
"449521"	1401.852274	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M-2H"	-2.014552
"822947"	466.612574	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-2H"	-2.014552
"86224"	1869.472124	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M-H"	-1.007276
"529064"	2804.711824	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M-H"	-1.007276
"901400"	934.232424	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-H"	-1.007276
"49213"	1886.498671	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M-2H+NH4"	16.019271
"490960"	2821.738371	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M-2H+NH4"	16.019271
"869854"	951.258971	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-2H+NH4"	16.019271
"37758"	1891.454066	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M-2H+Na"	20.974666
"478412"	2826.693766	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M-2H+Na"	20.974666
"857310"	956.214366	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-2H+Na"	20.974666
"1625748"	956.214366	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Na-2H"	20.974666
"108731"	952.220763	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M-H+Cl"	33.962126
"548045"	1419.840613	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M-H+Cl"	33.962126
"941317"	484.600913	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-H+Cl"	33.962126
"280478"	1905.448802	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+Cl"	34.969402
"674363"	2840.688502	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+Cl"	34.969402
"1286155"	970.209102	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Cl"	34.969402
"31106"	1907.428006	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M-2H+K"	36.948606
"467417"	2842.667706	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M-2H+K"	36.948606
"847046"	972.188306	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-2H+K"	36.948606
"1563243"	972.188306	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+K-2H"	36.948606
"948940"	980.237894	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-H+HCOOH"	44.998194
"366061"	1915.477601	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+HCOOH-H"	44.998201
"356873"	1929.493251	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+Hac-H"	59.013851
"1504612"	994.253551	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Hac-H"	59.013851
"966325"	1002.219851	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-H+NaCOOH"	66.980151
"118512"	970.209102	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+2Cl"	69.938804
"565121"	1437.828952	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+2Cl"	69.938804
"1033797"	502.589252	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2Cl"	69.938804
"1256988"	1014.158585	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Br"	78.918885
"1319719"	1016.214572	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Cl+HCOOH"	80.974872
"1335570"	1038.196529	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Cl+NaCOOH"	102.956829
"925592"	1048.225286	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M-H+CF3COOH"	112.985586
"1301812"	1084.201964	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Cl+CF3COOH"	148.962264
"1374506"	900.227024	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H-2H2O"	-35.012676
"1397359"	918.237	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H-H2O"	-17.0027
"291698"	1871.486676	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+H"	1.007276
"689590"	2806.726376	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+H"	1.007276
"1358285"	936.246976	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H"	1.007276
"137733"	936.246976	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+2H"	2.014552
"575107"	1403.866826	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+2H"	2.014552
"1046095"	468.627126	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2H"	2.014552
"217276"	624.500409333333	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+3H"	3.021828
"649183"	936.246976	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+3H"	3.021828
"1166579"	312.753842666667	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+3H"	3.021828
"428394"	1888.513223	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+NH4"	18.033823
"787564"	2823.752923	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+NH4"	18.033823
"1682557"	953.273523	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+NH4"	18.033823
"333635"	944.7602495	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+H+NH4"	19.041099
"723542"	1412.3800995	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+H+NH4"	19.041099
"1477684"	477.1403995	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H+NH4"	19.041099
"394543"	1893.468618	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+Na"	22.989218
"757726"	2828.708318	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+Na"	22.989218
"1605825"	958.228918	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Na"	22.989218
"316592"	947.237947	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+H+Na"	23.996494
"709376"	1414.857797	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+H+Na"	23.996494
"1465388"	479.618097	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H+Na"	23.996494
"1064845"	320.081156666667	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2H+Na"	25.00377
"1269068"	968.273186	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+CH3OH+H"	33.033486
"387646"	1909.442558	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+K"	38.963158
"748277"	2844.682258	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+K"	38.963158
"1548507"	974.202858	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+K"	38.963158
"311152"	955.224917	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+H+K"	39.970434
"706746"	1422.844767	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+H+K"	39.970434
"1460804"	487.605067	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H+K"	39.970434
"250256"	1912.513226	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+ACN+H"	42.033826
"1224785"	977.273526	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+ACN+H"	42.033826
"1208061"	489.140401	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+ACN+2H"	43.041102
"202022"	1915.45056	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+2Na-H"	44.97116
"641218"	2850.69026	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+2Na-H"	44.97116
"1137434"	980.21086	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2Na-H"	44.97116
"182911"	958.228918	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+2Na"	45.978436
"625751"	1425.848768	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+2Na"	45.978436
"1127071"	490.609068	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2Na"	45.978436
"1407314"	327.408470666667	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H+2Na"	46.985712
"1441617"	982.252446	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H+HCOOH"	47.012746
"223658"	963.26194	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+3H2O+2H"	56.04448
"1518283"	996.30449	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+IsoProp+H"	61.06479
"417970"	966.215888	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+Na+K"	61.952376
"778969"	1433.835738	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+Na+K"	61.952376
"1678212"	498.596038	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Na+K"	61.952376
"262552"	1934.495168	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+ACN+Na"	64.015768
"1234168"	999.255468	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+ACN+Na"	64.015768
"1724519"	999.278993	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+NH4+HCOOH"	64.039293
"1188418"	334.735784666667	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+3Na"	68.967654
"1663412"	1004.234388	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Na+HCOOH"	68.994688
"169543"	1947.39844	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+2K-H"	76.91904
"606550"	2882.63814	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+2K-H"	76.91904
"1096167"	1012.15874	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2K-H"	76.91904
"150796"	974.202858	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"2M+2K"	77.926316
"588533"	1441.822708	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"3M+2K"	77.926316
"1072317"	506.583008	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2K"	77.926316
"1104796"	1014.173292	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2K+H"	78.933592
"1338265"	1014.260907	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+DMSO+H"	79.021207
"1006429"	1018.300076	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2ACN+H"	83.060376
"1527835"	1019.293708	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+IsoProp+Na+H"	84.054008
"993191"	509.653676	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+2ACN+2H"	84.067652
"1588177"	1020.208328	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+K+HCOOH"	84.968628
"1417724"	1050.239838	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+H+CF3COOH"	115.000138
"1150206"	530.166951	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+3ACN+2H"	125.094202
"1700848"	1067.266385	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+NH4+CF3COOH"	132.026685
"1641969"	1072.22178	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+Na+CF3COOH"	136.98208
"1571543"	1088.19572	"C11539"	"Cobalt-precorrin 3"	"C43H48CoN4O16"	"935.2397"	"M+K+CF3COOH"	152.95602
"802149"	949.2554	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M"	0
"986984"	930.23701	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-H2O-H"	-19.01839
"74136"	631.829657333333	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M-3H"	-3.021828
"511505"	948.248124	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M-3H"	-3.021828
"889307"	315.411190666667	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-3H"	-3.021828
"4604"	948.248124	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M-2H"	-2.014552
"449631"	1422.875824	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M-2H"	-2.014552
"821235"	473.620424	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-2H"	-2.014552
"83054"	1897.503524	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M-H"	-1.007276
"528081"	2846.758924	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M-H"	-1.007276
"898230"	948.248124	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-H"	-1.007276
"52603"	1914.530071	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M-2H+NH4"	16.019271
"491070"	2863.785471	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M-2H+NH4"	16.019271
"867777"	965.274671	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-2H+NH4"	16.019271
"32518"	1919.485466	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M-2H+Na"	20.974666
"474148"	2868.740866	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M-2H+Na"	20.974666
"854139"	970.230066	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-2H+Na"	20.974666
"1622578"	970.230066	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Na-2H"	20.974666
"107505"	966.236463	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M-H+Cl"	33.962126
"547427"	1440.864163	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M-H+Cl"	33.962126
"941428"	491.608763	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-H+Cl"	33.962126
"280832"	1933.480202	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+Cl"	34.969402
"674351"	2882.735602	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+Cl"	34.969402
"1286873"	984.224802	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Cl"	34.969402
"30934"	1935.459406	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M-2H+K"	36.948606
"468620"	2884.714806	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M-2H+K"	36.948606
"846790"	986.204006	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-2H+K"	36.948606
"1563353"	986.204006	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+K-2H"	36.948606
"945770"	994.253594	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-H+HCOOH"	44.998194
"363985"	1943.509001	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+HCOOH-H"	44.998201
"355525"	1957.524651	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+Hac-H"	59.013851
"1502900"	1008.269251	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Hac-H"	59.013851
"966435"	1016.235551	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-H+NaCOOH"	66.980151
"118622"	984.224802	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+2Cl"	69.938804
"564745"	1458.852502	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+2Cl"	69.938804
"1035730"	509.597102	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2Cl"	69.938804
"1256408"	1028.174285	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Br"	78.918885
"1319345"	1030.230272	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Cl+HCOOH"	80.974872
"1335595"	1052.212229	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Cl+NaCOOH"	102.956829
"924487"	1062.240986	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M-H+CF3COOH"	112.985586
"1301558"	1098.217664	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Cl+CF3COOH"	148.962264
"1374616"	914.242724	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H-2H2O"	-35.012676
"1396495"	932.2527	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H-H2O"	-17.0027
"291808"	1899.518076	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+H"	1.007276
"688606"	2848.773476	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+H"	1.007276
"1358395"	950.262676	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H"	1.007276
"137843"	950.262676	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+2H"	2.014552
"575217"	1424.890376	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+2H"	2.014552
"1045112"	475.634976	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2H"	2.014552
"213013"	633.844209333333	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+3H"	3.021828
"646736"	950.262676	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+3H"	3.021828
"1165228"	317.425742666667	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+3H"	3.021828
"426314"	1916.544623	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+NH4"	18.033823
"786456"	2865.800023	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+NH4"	18.033823
"1682666"	967.289223	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+NH4"	18.033823
"331551"	958.7759495	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+H+NH4"	19.041099
"723122"	1433.4036495	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+H+NH4"	19.041099
"1477305"	484.1482495	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H+NH4"	19.041099
"393680"	1921.500018	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+Na"	22.989218
"757472"	2870.755418	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+Na"	22.989218
"1604232"	972.244618	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Na"	22.989218
"315972"	961.253647	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+H+Na"	23.996494
"710581"	1435.881347	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+H+Na"	23.996494
"1465498"	486.625947	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H+Na"	23.996494
"1059844"	324.753056666667	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2H+Na"	25.00377
"1270273"	982.288886	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+CH3OH+H"	33.033486
"387756"	1937.473958	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+K"	38.963158
"749844"	2886.729358	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+K"	38.963158
"1550803"	988.218558	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+K"	38.963158
"309075"	969.240617	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+H+K"	39.970434
"706251"	1443.868317	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+H+K"	39.970434
"1458604"	494.612917	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H+K"	39.970434
"250730"	1940.544626	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+ACN+H"	42.033826
"1224530"	991.289226	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+ACN+H"	42.033826
"1208414"	496.148251	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+ACN+2H"	43.041102
"202862"	1943.48196	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+2Na-H"	44.97116
"639505"	2892.73736	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+2Na-H"	44.97116
"1140824"	994.22656	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2Na-H"	44.97116
"183021"	972.244618	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+2Na"	45.978436
"625862"	1446.872318	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+2Na"	45.978436
"1130950"	497.616918	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2Na"	45.978436
"1409611"	332.080370666667	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H+2Na"	46.985712
"1444522"	996.268146	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H+HCOOH"	47.012746
"227048"	977.27764	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+3H2O+2H"	56.04448
"1518393"	1010.32019	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+IsoProp+H"	61.06479
"419173"	980.231588	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+Na+K"	61.952376
"781265"	1454.859288	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+Na+K"	61.952376
"1678322"	505.603888	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Na+K"	61.952376
"262298"	1962.526568	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+ACN+Na"	64.015768
"1233550"	1013.271168	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+ACN+Na"	64.015768
"1726330"	1013.294693	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+NH4+HCOOH"	64.039293
"1192170"	339.407684666667	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+3Na"	68.967654
"1664253"	1018.250088	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Na+HCOOH"	68.994688
"170746"	1975.42984	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+2K-H"	76.91904
"607025"	2924.68524	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+2K-H"	76.91904
"1095912"	1026.17444	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2K-H"	76.91904
"151999"	988.218558	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"2M+2K"	77.926316
"587912"	1462.846258	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"3M+2K"	77.926316
"1070725"	513.590858	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2K"	77.926316
"1101747"	1028.188992	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2K+H"	78.933592
"1338011"	1028.276607	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+DMSO+H"	79.021207
"1006781"	1032.315776	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2ACN+H"	83.060376
"1527945"	1033.309408	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+IsoProp+Na+H"	84.054008
"994394"	516.661526	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+2ACN+2H"	84.067652
"1588895"	1034.224028	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+K+HCOOH"	84.968628
"1417834"	1064.255538	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+H+CF3COOH"	115.000138
"1150316"	537.174801	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+3ACN+2H"	125.094202
"1703145"	1081.282085	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+NH4+CF3COOH"	132.026685
"1642079"	1086.23748	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+Na+CF3COOH"	136.98208
"1571693"	1102.21142	"C11540"	"Cobalt-precorrin 4"	"C44H50CoN4O16"	"949.2554"	"M+K+CF3COOH"	152.95602
"806999"	964.2789	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M"	0
"988188"	945.26051	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-H2O-H"	-19.01839
"77852"	641.845324	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M-3H"	-3.021828
"511615"	963.271624	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M-3H"	-3.021828
"889417"	320.419024	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-3H"	-3.021828
"12368"	963.271624	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M-2H"	-2.014552
"449741"	1445.411074	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M-2H"	-2.014552
"820981"	481.132174	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-2H"	-2.014552
"89725"	1927.550524	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M-H"	-1.007276
"527098"	2891.829424	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M-H"	-1.007276
"909639"	963.271624	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-H"	-1.007276
"52713"	1944.577071	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M-2H+NH4"	16.019271
"491180"	2908.855971	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M-2H+NH4"	16.019271
"867887"	980.298171	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-2H+NH4"	16.019271
"42352"	1949.532466	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M-2H+Na"	20.974666
"480819"	2913.811366	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M-2H+Na"	20.974666
"857529"	985.253566	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-2H+Na"	20.974666
"1623782"	985.253566	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Na-2H"	20.974666
"108706"	981.259963	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M-H+Cl"	33.962126
"549241"	1463.399413	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M-H+Cl"	33.962126
"942665"	499.120513	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-H+Cl"	33.962126
"282692"	1963.527202	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+Cl"	34.969402
"674950"	2927.806102	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+Cl"	34.969402
"1288326"	999.248302	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Cl"	34.969402
"31315"	1965.506406	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M-2H+K"	36.948606
"469826"	2929.785306	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M-2H+K"	36.948606
"845807"	1001.227506	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-2H+K"	36.948606
"1568567"	1001.227506	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+K-2H"	36.948606
"952440"	1009.277094	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-H+HCOOH"	44.998194
"371385"	1973.556001	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+HCOOH-H"	44.998201
"354542"	1987.571651	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+Hac-H"	59.013851
"1505197"	1023.292751	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Hac-H"	59.013851
"972013"	1031.259051	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-H+NaCOOH"	66.980151
"122744"	999.248302	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+2Cl"	69.938804
"565220"	1481.387752	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+2Cl"	69.938804
"1036980"	517.108852	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2Cl"	69.938804
"1256276"	1043.197785	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Br"	78.918885
"1319572"	1045.253772	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Cl+HCOOH"	80.974872
"1335123"	1067.235729	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Cl+NaCOOH"	102.956829
"923868"	1077.264486	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M-H+CF3COOH"	112.985586
"1300940"	1113.241164	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Cl+CF3COOH"	148.962264
"1375455"	929.266224	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H-2H2O"	-35.012676
"1396606"	947.2762	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H-H2O"	-17.0027
"290824"	1929.565076	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+H"	1.007276
"688715"	2893.843976	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+H"	1.007276
"1365064"	965.286176	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H"	1.007276
"131394"	965.286176	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+2H"	2.014552
"570953"	1447.425626	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+2H"	2.014552
"1044126"	483.146726	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2H"	2.014552
"213121"	643.859876	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+3H"	3.021828
"645388"	965.286176	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+3H"	3.021828
"1167528"	322.433576	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+3H"	3.021828
"425086"	1946.591623	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+NH4"	18.033823
"787418"	2910.870523	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+NH4"	18.033823
"1683019"	982.312723	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+NH4"	18.033823
"330406"	973.7994495	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+H+NH4"	19.041099
"722870"	1455.9388995	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+H+NH4"	19.041099
"1477660"	491.6599995	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H+NH4"	19.041099
"393423"	1951.547018	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+Na"	22.989218
"755028"	2915.825918	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+Na"	22.989218
"1603046"	987.268118	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Na"	22.989218
"316444"	976.277147	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+H+Na"	23.996494
"711788"	1458.416597	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+H+Na"	23.996494
"1464879"	494.137697	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H+Na"	23.996494
"1057763"	329.76089	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2H+Na"	25.00377
"1266003"	997.312386	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+CH3OH+H"	33.033486
"381301"	1967.520958	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+K"	38.963158
"745576"	2931.799858	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+K"	38.963158
"1545443"	1003.242058	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+K"	38.963158
"305898"	984.264117	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+H+K"	39.970434
"702700"	1466.403567	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+H+K"	39.970434
"1457614"	502.124667	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H+K"	39.970434
"249132"	1970.591626	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+ACN+H"	42.033826
"1221111"	1006.312726	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+ACN+H"	42.033826
"1207917"	503.660001	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+ACN+2H"	43.041102
"197867"	1973.52896	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+2Na-H"	44.97116
"637426"	2937.80786	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+2Na-H"	44.97116
"1137653"	1009.25006	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2Na-H"	44.97116
"187627"	987.268118	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+2Na"	45.978436
"618317"	1469.407568	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+2Na"	45.978436
"1127288"	505.128668	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2Na"	45.978436
"1411907"	337.088204	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H+2Na"	46.985712
"1431631"	1011.291646	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H+HCOOH"	47.012746
"224970"	992.30114	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+3H2O+2H"	56.04448
"1509751"	1025.34369	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+IsoProp+H"	61.06479
"420382"	995.255088	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+Na+K"	61.952376
"779189"	1477.394538	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+Na+K"	61.952376
"1673333"	513.115638	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Na+K"	61.952376
"264228"	1992.573568	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+ACN+Na"	64.015768
"1236575"	1028.294668	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+ACN+Na"	64.015768
"1726932"	1028.318193	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+NH4+HCOOH"	64.039293
"1193740"	344.415518	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+3Na"	68.967654
"1663877"	1033.273588	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Na+HCOOH"	68.994688
"172602"	2005.47684	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+2K-H"	76.91904
"611510"	2969.75574	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+2K-H"	76.91904
"1095294"	1041.19794	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2K-H"	76.91904
"154297"	1003.242058	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"2M+2K"	77.926316
"588386"	1485.381508	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"3M+2K"	77.926316
"1070835"	521.102608	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2K"	77.926316
"1105017"	1043.212492	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2K+H"	78.933592
"1341401"	1043.300107	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+DMSO+H"	79.021207
"1009929"	1047.339276	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2ACN+H"	83.060376
"1529149"	1048.332908	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+IsoProp+Na+H"	84.054008
"992319"	524.173276	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+2ACN+2H"	84.067652
"1593379"	1049.247528	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+K+HCOOH"	84.968628
"1420132"	1079.279038	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+H+CF3COOH"	115.000138
"1156986"	544.686551	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+3ACN+2H"	125.094202
"1704347"	1096.305585	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+NH4+CF3COOH"	132.026685
"1642189"	1101.26098	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+Na+CF3COOH"	136.98208
"1572371"	1117.23492	"C11541"	"Cobalt-precorrin 5"	"C45H53CoN4O16"	"964.2789"	"M+K+CF3COOH"	152.95602
"802735"	952.2789	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M"	0
"986111"	933.26051	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-H2O-H"	-19.01839
"73262"	633.845324	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M-3H"	-3.021828
"508445"	951.271624	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M-3H"	-3.021828
"887340"	316.419024	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-3H"	-3.021828
"5916"	951.271624	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M-2H"	-2.014552
"442195"	1427.411074	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M-2H"	-2.014552
"822184"	475.132174	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-2H"	-2.014552
"88741"	1903.550524	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M-H"	-1.007276
"523926"	2855.829424	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M-H"	-1.007276
"902823"	951.271624	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-H"	-1.007276
"52823"	1920.577071	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M-2H+NH4"	16.019271
"488251"	2872.855971	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M-2H+NH4"	16.019271
"864221"	968.298171	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-2H+NH4"	16.019271
"40275"	1925.532466	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M-2H+Na"	20.974666
"476554"	2877.811366	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M-2H+Na"	20.974666
"852535"	973.253566	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-2H+Na"	20.974666
"1622797"	973.253566	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Na-2H"	20.974666
"109711"	969.259963	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M-H+Cl"	33.962126
"549391"	1445.399413	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M-H+Cl"	33.962126
"942545"	493.120513	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-H+Cl"	33.962126
"282677"	1939.527202	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+Cl"	34.969402
"673962"	2891.806102	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+Cl"	34.969402
"1288111"	987.248302	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Cl"	34.969402
"30256"	1941.506406	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M-2H+K"	36.948606
"469572"	2893.785306	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M-2H+K"	36.948606
"845917"	989.227506	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-2H+K"	36.948606
"1569041"	989.227506	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+K-2H"	36.948606
"958018"	997.277094	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-H+HCOOH"	44.998194
"375140"	1949.556001	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+HCOOH-H"	44.998201
"352465"	1963.571651	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+Hac-H"	59.013851
"1501297"	1011.292751	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Hac-H"	59.013851
"966654"	1019.259051	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-H+NaCOOH"	66.980151
"118842"	987.248302	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+2Cl"	69.938804
"565412"	1463.387752	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+2Cl"	69.938804
"1036437"	511.108852	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2Cl"	69.938804
"1256020"	1031.197785	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Br"	78.918885
"1319765"	1033.253772	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Cl+HCOOH"	80.974872
"1335109"	1055.235729	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Cl+NaCOOH"	102.956829
"924339"	1065.264486	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M-H+CF3COOH"	112.985586
"1298861"	1101.241164	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Cl+CF3COOH"	148.962264
"1374835"	917.266224	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H-2H2O"	-35.012676
"1395623"	935.2762	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H-H2O"	-17.0027
"290934"	1905.565076	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+H"	1.007276
"690285"	2857.843976	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+H"	1.007276
"1364081"	953.286176	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H"	1.007276
"128952"	953.286176	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+2H"	2.014552
"574343"	1429.425626	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+2H"	2.014552
"1044236"	477.146726	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2H"	2.014552
"212138"	635.859876	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+3H"	3.021828
"649879"	953.286176	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+3H"	3.021828
"1168003"	318.433576	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+3H"	3.021828
"425560"	1922.591623	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+NH4"	18.033823
"786191"	2874.870523	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+NH4"	18.033823
"1683494"	970.312723	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+NH4"	18.033823
"332138"	961.7994495	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+H+NH4"	19.041099
"723463"	1437.9388995	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+H+NH4"	19.041099
"1477233"	485.6599995	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H+NH4"	19.041099
"393015"	1927.547018	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+Na"	22.989218
"754774"	2879.825918	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+Na"	22.989218
"1605427"	975.268118	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Na"	22.989218
"315100"	964.277147	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+H+Na"	23.996494
"708245"	1440.416597	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+H+Na"	23.996494
"1465719"	488.137697	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H+Na"	23.996494
"1058968"	325.76089	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2H+Na"	25.00377
"1259552"	985.312386	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+CH3OH+H"	33.033486
"384692"	1943.520958	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+K"	38.963158
"744593"	2895.799858	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+K"	38.963158
"1546648"	991.242058	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+K"	38.963158
"308198"	972.264117	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+H+K"	39.970434
"700623"	1448.403567	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+H+K"	39.970434
"1457723"	496.124667	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H+K"	39.970434
"247053"	1946.591626	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+ACN+H"	42.033826
"1224625"	994.312726	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+ACN+H"	42.033826
"1208021"	497.660001	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+ACN+2H"	43.041102
"200164"	1949.52896	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+2Na-H"	44.97116
"643492"	2901.80786	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+2Na-H"	44.97116
"1137765"	997.25006	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2Na-H"	44.97116
"179961"	975.268118	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+2Na"	45.978436
"618427"	1451.407568	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+2Na"	45.978436
"1128492"	499.128668	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2Na"	45.978436
"1413356"	333.088204	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H+2Na"	46.985712
"1438664"	999.291646	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H+HCOOH"	47.012746
"223986"	980.30114	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+3H2O+2H"	56.04448
"1510227"	1013.34369	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+IsoProp+H"	61.06479
"420492"	983.255088	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+Na+K"	61.952376
"779299"	1459.394538	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+Na+K"	61.952376
"1674536"	507.115638	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Na+K"	61.952376
"262151"	1968.573568	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+ACN+Na"	64.015768
"1236320"	1016.294668	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+ACN+Na"	64.015768
"1727043"	1016.318193	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+NH4+HCOOH"	64.039293
"1193119"	340.415518	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+3Na"	68.967654
"1664471"	1021.273588	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Na+HCOOH"	68.994688
"171694"	1981.47684	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+2K-H"	76.91904
"609796"	2933.75574	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+2K-H"	76.91904
"1095037"	1029.19794	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2K-H"	76.91904
"152584"	991.242058	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"2M+2K"	77.926316
"584122"	1467.381508	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"3M+2K"	77.926316
"1073010"	515.102608	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2K"	77.926316
"1101846"	1031.212492	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2K+H"	78.933592
"1341510"	1031.300107	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+DMSO+H"	79.021207
"1007853"	1035.339276	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2ACN+H"	83.060376
"1527073"	1036.332908	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+IsoProp+Na+H"	84.054008
"1001177"	518.173276	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+2ACN+2H"	84.067652
"1589240"	1037.247528	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+K+HCOOH"	84.968628
"1418056"	1067.279038	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+H+CF3COOH"	115.000138
"1157096"	538.686551	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+3ACN+2H"	125.094202
"1702271"	1084.305585	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+NH4+CF3COOH"	132.026685
"1642299"	1089.26098	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+Na+CF3COOH"	136.98208
"1572116"	1105.23492	"C11542"	"Cobalt-precorrin 6;Cobalt-precorrin 6A"	"C44H53CoN4O16"	"952.2789"	"M+K+CF3COOH"	152.95602
"801624"	954.2945	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M"	0
"986221"	935.27611	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-H2O-H"	-19.01839
"72278"	635.189057333333	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M-3H"	-3.021828
"508555"	953.287224	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M-3H"	-3.021828
"885264"	317.090890666667	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-3H"	-3.021828
"6026"	953.287224	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M-2H"	-2.014552
"440604"	1430.434474	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M-2H"	-2.014552
"818285"	476.139974	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-2H"	-2.014552
"80829"	1907.581724	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M-H"	-1.007276
"521484"	2861.876224	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M-H"	-1.007276
"900745"	953.287224	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-H"	-1.007276
"52933"	1924.608271	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M-2H+NH4"	16.019271
"489940"	2878.902771	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M-2H+NH4"	16.019271
"864487"	970.313771	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-2H+NH4"	16.019271
"40385"	1929.563666	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M-2H+Na"	20.974666
"476664"	2883.858166	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M-2H+Na"	20.974666
"852281"	975.269166	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-2H+Na"	20.974666
"1624000"	975.269166	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Na-2H"	20.974666
"109289"	971.275563	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M-H+Cl"	33.962126
"549216"	1448.422813	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M-H+Cl"	33.962126
"941759"	494.128313	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-H+Cl"	33.962126
"280192"	1943.558402	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+Cl"	34.969402
"675248"	2897.852902	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+Cl"	34.969402
"1286476"	989.263902	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Cl"	34.969402
"29394"	1945.537606	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M-2H+K"	36.948606
"468224"	2899.832106	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M-2H+K"	36.948606
"846027"	991.243106	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-2H+K"	36.948606
"1568787"	991.243106	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+K-2H"	36.948606
"953389"	999.292694	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-H+HCOOH"	44.998194
"374157"	1953.587201	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+HCOOH-H"	44.998201
"352574"	1967.602851	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+Hac-H"	59.013851
"1497032"	1013.308351	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Hac-H"	59.013851
"960567"	1021.274651	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-H+NaCOOH"	66.980151
"118952"	989.263902	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+2Cl"	69.938804
"565277"	1466.411152	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+2Cl"	69.938804
"1036304"	512.116652	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2Cl"	69.938804
"1256859"	1033.213385	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Br"	78.918885
"1319783"	1035.269372	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Cl+HCOOH"	80.974872
"1331935"	1057.251329	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Cl+NaCOOH"	102.956829
"923356"	1067.280086	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M-H+CF3COOH"	112.985586
"1298970"	1103.256764	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Cl+CF3COOH"	148.962264
"1369476"	919.281824	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H-2H2O"	-35.012676
"1392453"	937.2918	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H-H2O"	-17.0027
"291044"	1909.596276	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+H"	1.007276
"688935"	2863.890776	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+H"	1.007276
"1355442"	955.301776	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H"	1.007276
"130521"	955.301776	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+2H"	2.014552
"571173"	1432.449026	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+2H"	2.014552
"1046532"	478.154526	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2H"	2.014552
"214433"	637.203609333333	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+3H"	3.021828
"650718"	955.301776	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+3H"	3.021828
"1167386"	319.105442666667	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+3H"	3.021828
"425548"	1926.622823	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+NH4"	18.033823
"786421"	2880.917323	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+NH4"	18.033823
"1681901"	972.328323	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+NH4"	18.033823
"330295"	963.8150495	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+H+NH4"	19.041099
"722839"	1440.9622995	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+H+NH4"	19.041099
"1477061"	486.6677995	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H+NH4"	19.041099
"393033"	1931.578218	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+Na"	22.989218
"754886"	2885.872718	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+Na"	22.989218
"1604075"	977.283718	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Na"	22.989218
"315208"	966.292747	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+H+Na"	23.996494
"708729"	1443.439997	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+H+Na"	23.996494
"1463632"	489.145497	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H+Na"	23.996494
"1055797"	326.432756666667	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2H+Na"	25.00377
"1258564"	987.327986	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+CH3OH+H"	33.033486
"381520"	1947.552158	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+K"	38.963158
"746892"	2901.846658	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+K"	38.963158
"1552591"	993.257658	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+K"	38.963158
"311227"	974.279717	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+H+K"	39.970434
"701826"	1451.426967	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+H+K"	39.970434
"1458563"	497.132467	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H+K"	39.970434
"243154"	1950.622826	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+ACN+H"	42.033826
"1224130"	996.328326	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+ACN+H"	42.033826
"1208497"	498.667801	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+ACN+2H"	43.041102
"199181"	1953.56016	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+2Na-H"	44.97116
"643359"	2907.85466	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+2Na-H"	44.97116
"1134594"	999.26566	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2Na-H"	44.97116
"177519"	977.283718	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+2Na"	45.978436
"618901"	1454.430968	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+2Na"	45.978436
"1129210"	500.136468	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2Na"	45.978436
"1407753"	333.760070666667	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H+2Na"	46.985712
"1438774"	1001.307246	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H+HCOOH"	47.012746
"223367"	982.31674	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+3H2O+2H"	56.04448
"1511430"	1015.35929	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+IsoProp+H"	61.06479
"411846"	985.270688	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+Na+K"	61.952376
"780502"	1462.417938	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+Na+K"	61.952376
"1674646"	508.123438	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Na+K"	61.952376
"262261"	1972.604768	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+ACN+Na"	64.015768
"1232783"	1018.310268	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+ACN+Na"	64.015768
"1727881"	1018.333793	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+NH4+HCOOH"	64.039293
"1192868"	341.087384666667	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+3Na"	68.967654
"1664826"	1023.289188	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Na+HCOOH"	68.994688
"171076"	1985.50804	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+2K-H"	76.91904
"612095"	2939.80254	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+2K-H"	76.91904
"1095511"	1031.21354	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2K-H"	76.91904
"153058"	993.257658	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"2M+2K"	77.926316
"588608"	1470.404908	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"3M+2K"	77.926316
"1076400"	516.110408	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2K"	77.926316
"1105236"	1033.228092	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2K+H"	78.933592
"1341620"	1033.315707	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+DMSO+H"	79.021207
"1007963"	1037.354876	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2ACN+H"	83.060376
"1528277"	1038.348508	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+IsoProp+Na+H"	84.054008
"1001287"	519.181076	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+2ACN+2H"	84.067652
"1591415"	1039.263128	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+K+HCOOH"	84.968628
"1418166"	1069.294638	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+H+CF3COOH"	115.000138
"1157206"	539.694351	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+3ACN+2H"	125.094202
"1703474"	1086.321185	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+NH4+CF3COOH"	132.026685
"1642409"	1091.27658	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+Na+CF3COOH"	136.98208
"1571860"	1107.25052	"C11543"	"Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B"	"C44H55CoN4O16"	"954.2945"	"M+K+CF3COOH"	152.95602
"802955"	268.0794	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M"	0
"986331"	249.06101	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-H2O-H"	-19.01839
"75668"	177.712324	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M-3H"	-3.021828
"510852"	267.072124	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M-3H"	-3.021828
"887561"	88.352524	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-3H"	-3.021828
"7229"	267.072124	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M-2H"	-2.014552
"441686"	401.111824	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M-2H"	-2.014552
"819488"	133.032424	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-2H"	-2.014552
"80939"	535.151524	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M-H"	-1.007276
"519527"	803.230924	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M-H"	-1.007276
"896108"	267.072124	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-H"	-1.007276
"48299"	552.178071	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M-2H+NH4"	16.019271
"489686"	820.257471	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M-2H+NH4"	16.019271
"864806"	284.098671	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-2H+NH4"	16.019271
"33931"	557.133466	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M-2H+Na"	20.974666
"477865"	825.212866	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M-2H+Na"	20.974666
"852387"	289.054066	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-2H+Na"	20.974666
"1623014"	289.054066	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Na-2H"	20.974666
"108673"	285.060463	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M-H+Cl"	33.962126
"549451"	419.100163	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M-H+Cl"	33.962126
"941383"	151.020763	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-H+Cl"	33.962126
"281765"	571.128202	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+Cl"	34.969402
"675037"	839.207602	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+Cl"	34.969402
"1287320"	303.048802	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Cl"	34.969402
"29990"	573.107406	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M-2H+K"	36.948606
"470155"	841.186806	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M-2H+K"	36.948606
"847230"	305.028006	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-2H+K"	36.948606
"1570357"	305.028006	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+K-2H"	36.948606
"956416"	313.077594	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-H+HCOOH"	44.998194
"373172"	581.157001	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+HCOOH-H"	44.998201
"352685"	595.172651	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+Hac-H"	59.013851
"1501515"	327.093251	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Hac-H"	59.013851
"960677"	335.059551	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-H+NaCOOH"	66.980151
"122342"	303.048802	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+2Cl"	69.938804
"565553"	437.088502	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+2Cl"	69.938804
"1036705"	169.009102	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2Cl"	69.938804
"1256485"	346.998285	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Br"	78.918885
"1318925"	349.054272	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Cl+HCOOH"	80.974872
"1332409"	371.036229	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Cl+NaCOOH"	102.956829
"920186"	381.064986	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M-H+CF3COOH"	112.985586
"1299080"	417.041664	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Cl+CF3COOH"	148.962264
"1373960"	233.066724	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H-2H2O"	-35.012676
"1394750"	251.0767	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H-H2O"	-17.0027
"292247"	537.166076	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+H"	1.007276
"685764"	805.245476	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+H"	1.007276
"1355552"	269.086676	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H"	1.007276
"133908"	269.086676	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+2H"	2.014552
"574563"	403.126376	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+2H"	2.014552
"1051016"	135.046976	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2H"	2.014552
"215638"	179.726876	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+3H"	3.021828
"646447"	269.086676	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+3H"	3.021828
"1167858"	90.367076	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+3H"	3.021828
"428943"	554.192623	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+NH4"	18.033823
"789210"	822.272023	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+NH4"	18.033823
"1682619"	286.113223	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+NH4"	18.033823
"330775"	277.5999495	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+H+NH4"	19.041099
"723319"	411.6396495	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+H+NH4"	19.041099
"1478234"	143.5602495	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H+NH4"	19.041099
"393999"	559.148018	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+Na"	22.989218
"755359"	827.227418	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+Na"	22.989218
"1604549"	291.068618	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Na"	22.989218
"316048"	280.077647	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+H+Na"	23.996494
"709930"	414.117347	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+H+Na"	23.996494
"1465205"	146.037947	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H+Na"	23.996494
"1055907"	97.69439	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2H+Na"	25.00377
"1259039"	301.112886	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+CH3OH+H"	33.033486
"380537"	575.121958	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+K"	38.963158
"747002"	843.201358	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+K"	38.963158
"1546867"	307.042558	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+K"	38.963158
"311337"	288.064617	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+H+K"	39.970434
"701936"	422.104317	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+H+K"	39.970434
"1459405"	154.024917	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H+K"	39.970434
"248368"	578.192626	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+ACN+H"	42.033826
"1224604"	310.113226	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+ACN+H"	42.033826
"1208609"	155.560251	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+ACN+2H"	43.041102
"200384"	581.12996	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+2Na-H"	44.97116
"642741"	849.20936	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+2Na-H"	44.97116
"1134703"	313.05056	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2Na-H"	44.97116
"183461"	291.068618	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+2Na"	45.978436
"619740"	425.108318	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+2Na"	45.978436
"1129320"	157.028918	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2Na"	45.978436
"1404583"	105.021704	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H+2Na"	46.985712
"1438884"	315.092146	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H+HCOOH"	47.012746
"227487"	296.10164	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+3H2O+2H"	56.04448
"1511539"	329.14419	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+IsoProp+H"	61.06479
"409404"	299.055588	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+Na+K"	61.952376
"781705"	433.095288	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+Na+K"	61.952376
"1675849"	165.015888	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Na+K"	61.952376
"262371"	600.174568	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+ACN+Na"	64.015768
"1233986"	332.095168	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+ACN+Na"	64.015768
"1726532"	332.118693	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+NH4+HCOOH"	64.039293
"1192853"	112.349018	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+3Na"	68.967654
"1664933"	337.074088	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Na+HCOOH"	68.994688
"171793"	613.07784	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+2K-H"	76.91904
"608922"	881.15724	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+2K-H"	76.91904
"1094527"	344.99844	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2K-H"	76.91904
"153168"	307.042558	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"2M+2K"	77.926316
"588718"	441.082258	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"3M+2K"	77.926316
"1073230"	173.002858	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2K"	77.926316
"1103157"	347.012992	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2K+H"	78.933592
"1341730"	347.100607	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+DMSO+H"	79.021207
"1014632"	351.139776	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2ACN+H"	83.060376
"1530574"	352.133408	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+IsoProp+Na+H"	84.054008
"1000304"	176.073526	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+2ACN+2H"	84.067652
"1591525"	353.048028	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+K+HCOOH"	84.968628
"1418276"	383.079538	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+H+CF3COOH"	115.000138
"1160596"	196.586801	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+3ACN+2H"	125.094202
"1702491"	400.106085	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+NH4+CF3COOH"	132.026685
"1642519"	405.06148	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+Na+CF3COOH"	136.98208
"1571485"	421.03542	"C11544"	"2-O-(alpha-D-Mannosyl)-D-glycerate;alpha-Mannosylglycerate;2-O-(alpha-D-Mannopyranosyl)-D-glycerate"	"C9H16O9"	"268.0794"	"M+K+CF3COOH"	152.95602
"802336"	938.336	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M"	0
"986441"	919.31761	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-H2O-H"	-19.01839
"74685"	624.550057333333	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M-3H"	-3.021828
"510962"	937.328724	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M-3H"	-3.021828
"887671"	311.771390666667	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-3H"	-3.021828
"5153"	937.328724	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M-2H"	-2.014552
"440703"	1406.496724	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M-2H"	-2.014552
"819598"	468.160724	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-2H"	-2.014552
"81049"	1875.664724	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M-H"	-1.007276
"519150"	2814.000724	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M-H"	-1.007276
"897318"	937.328724	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-H"	-1.007276
"48045"	1892.691271	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M-2H+NH4"	16.019271
"487968"	2831.027271	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M-2H+NH4"	16.019271
"865037"	954.355271	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-2H+NH4"	16.019271
"32944"	1897.646666	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M-2H+Na"	20.974666
"473602"	2835.982666	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M-2H+Na"	20.974666
"852497"	959.310666	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-2H+Na"	20.974666
"1620938"	959.310666	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Na-2H"	20.974666
"108665"	955.317063	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M-H+Cl"	33.962126
"548952"	1424.485063	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M-H+Cl"	33.962126
"941003"	486.149063	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-H+Cl"	33.962126
"281870"	1911.641402	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+Cl"	34.969402
"674905"	2849.977402	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+Cl"	34.969402
"1287911"	973.305402	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Cl"	34.969402
"27425"	1913.620606	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M-2H+K"	36.948606
"466986"	2851.956606	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M-2H+K"	36.948606
"843694"	975.284606	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-2H+K"	36.948606
"1561715"	975.284606	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+K-2H"	36.948606
"951785"	983.334194	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-H+HCOOH"	44.998194
"369999"	1921.670201	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+HCOOH-H"	44.998201
"352794"	1935.685851	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+Hac-H"	59.013851
"1498344"	997.349851	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Hac-H"	59.013851
"960423"	1005.316151	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-H+NaCOOH"	66.980151
"114797"	973.305402	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+2Cl"	69.938804
"561647"	1442.473402	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+2Cl"	69.938804
"1033001"	504.137402	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2Cl"	69.938804
"1254766"	1017.254885	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Br"	78.918885
"1317211"	1019.310872	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Cl+HCOOH"	80.974872
"1328144"	1041.292829	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Cl+NaCOOH"	102.956829
"918109"	1051.321586	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M-H+CF3COOH"	112.985586
"1293723"	1087.298264	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Cl+CF3COOH"	148.962264
"1370790"	903.323324	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H-2H2O"	-35.012676
"1395949"	921.3333	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H-H2O"	-17.0027
"293450"	1877.679276	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+H"	1.007276
"682593"	2816.015276	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+H"	1.007276
"1352380"	939.343276	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H"	1.007276
"128914"	939.343276	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+2H"	2.014552
"568476"	1408.511276	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+2H"	2.014552
"1047846"	470.175276	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2H"	2.014552
"214652"	626.564609333333	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+3H"	3.021828
"646925"	939.343276	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+3H"	3.021828
"1166875"	313.785942666667	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+3H"	3.021828
"429783"	1894.705823	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+NH4"	18.033823
"786769"	2833.041823	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+NH4"	18.033823
"1681666"	956.369823	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+NH4"	18.033823
"330512"	947.8565495	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+H+NH4"	19.041099
"723067"	1417.0245495	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+H+NH4"	19.041099
"1478348"	478.6885495	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H+NH4"	19.041099
"393743"	1899.661218	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+Na"	22.989218
"754742"	2837.997218	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+Na"	22.989218
"1603444"	961.325218	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Na"	22.989218
"315795"	950.334247	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+H+Na"	23.996494
"711136"	1419.502247	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+H+Na"	23.996494
"1465315"	481.166247	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H+Na"	23.996494
"1057110"	321.113256666667	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2H+Na"	25.00377
"1258296"	971.369486	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+CH3OH+H"	33.033486
"383927"	1915.635158	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+K"	38.963158
"748205"	2853.971158	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+K"	38.963158
"1546977"	977.299158	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+K"	38.963158
"313877"	958.321217	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+H+K"	39.970434
"703139"	1427.489217	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+H+K"	39.970434
"1458789"	489.153217	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H+K"	39.970434
"248114"	1918.705826	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+ACN+H"	42.033826
"1224838"	980.369826	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+ACN+H"	42.033826
"1208843"	490.688551	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+ACN+2H"	43.041102
"201588"	1921.64316	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+2Na-H"	44.97116
"643218"	2859.97916	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+2Na-H"	44.97116
"1134814"	983.30716	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2Na-H"	44.97116
"181384"	961.325218	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+2Na"	45.978436
"619850"	1430.493218	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+2Na"	45.978436
"1129551"	492.157218	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2Na"	45.978436
"1407973"	328.440570666667	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H+2Na"	46.985712
"1438994"	985.348746	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H+HCOOH"	47.012746
"227596"	966.35824	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+3H2O+2H"	56.04448
"1516751"	999.40079	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+IsoProp+H"	61.06479
"410607"	969.312188	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+Na+K"	61.952376
"779629"	1438.480188	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+Na+K"	61.952376
"1674865"	500.144188	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Na+K"	61.952376
"259201"	1940.687768	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+ACN+Na"	64.015768
"1231910"	1002.351768	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+ACN+Na"	64.015768
"1725907"	1002.375293	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+NH4+HCOOH"	64.039293
"1188344"	335.767884666667	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+3Na"	68.967654
"1664433"	1007.330688	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Na+HCOOH"	68.994688
"171538"	1953.59104	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+2K-H"	76.91904
"610126"	2891.92704	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+2K-H"	76.91904
"1097918"	1015.25504	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2K-H"	76.91904
"151455"	977.299158	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"2M+2K"	77.926316
"585548"	1446.467158	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"3M+2K"	77.926316
"1069329"	508.131158	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2K"	77.926316
"1100471"	1017.269592	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2K+H"	78.933592
"1341840"	1017.357207	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+DMSO+H"	79.021207
"1012555"	1021.396376	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2ACN+H"	83.060376
"1530684"	1022.390008	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+IsoProp+Na+H"	84.054008
"1001507"	511.201826	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+2ACN+2H"	84.067652
"1591635"	1023.304628	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+K+HCOOH"	84.968628
"1416199"	1053.336138	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+H+CF3COOH"	115.000138
"1157426"	531.715101	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+3ACN+2H"	125.094202
"1703694"	1070.362685	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+NH4+CF3COOH"	132.026685
"1642629"	1075.31808	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+Na+CF3COOH"	136.98208
"1571718"	1091.29202	"C11545"	"Cobalt-precorrin 8;Cobalt-precorrin-8"	"C45H59CoN4O14"	"938.336"	"M+K+CF3COOH"	152.95602
"802445"	254.1002	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M"	0
"986551"	235.08181	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-H2O-H"	-19.01839
"71515"	168.392857333333	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M-3H"	-3.021828
"509978"	253.092924	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M-3H"	-3.021828
"887781"	83.6927906666667	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-3H"	-3.021828
"6356"	253.092924	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H"	-2.014552
"441055"	380.143024	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H"	-2.014552
"818615"	126.042824	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-2H"	-2.014552
"81159"	507.193124	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M-H"	-1.007276
"519623"	761.293324	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M-H"	-1.007276
"897428"	253.092924	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-H"	-1.007276
"49979"	524.219671	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H+NH4"	16.019271
"488199"	778.319871	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H+NH4"	16.019271
"864541"	270.119471	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-2H+NH4"	16.019271
"31957"	529.175066	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H+Na"	20.974666
"474076"	783.275266	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H+Na"	20.974666
"852607"	275.074866	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-2H+Na"	20.974666
"1621048"	275.074866	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Na-2H"	20.974666
"109672"	271.081263	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M-H+Cl"	33.962126
"549550"	398.131363	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M-H+Cl"	33.962126
"940505"	144.031163	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-H+Cl"	33.962126
"282343"	543.169802	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+Cl"	34.969402
"675459"	797.270002	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+Cl"	34.969402
"1287859"	289.069602	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl"	34.969402
"28628"	545.149006	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M-2H+K"	36.948606
"469282"	799.249206	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M-2H+K"	36.948606
"843804"	291.048806	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-2H+K"	36.948606
"1562918"	291.048806	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+K-2H"	36.948606
"950801"	299.098394	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-H+HCOOH"	44.998194
"371201"	553.198601	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+HCOOH-H"	44.998201
"356178"	567.214251	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+Hac-H"	59.013851
"1497361"	313.114051	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Hac-H"	59.013851
"958869"	321.080351	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-H+NaCOOH"	66.980151
"110409"	289.069602	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+2Cl"	69.938804
"555560"	416.119702	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+2Cl"	69.938804
"1032014"	162.019502	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2Cl"	69.938804
"1254876"	333.019085	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Br"	78.918885
"1316957"	335.075072	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl+HCOOH"	80.974872
"1329347"	357.057029	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl+NaCOOH"	102.956829
"918219"	367.085786	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M-H+CF3COOH"	112.985586
"1296019"	403.062464	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Cl+CF3COOH"	148.962264
"1370171"	219.087524	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H-2H2O"	-35.012676
"1392780"	237.0975	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H-H2O"	-17.0027
"291373"	509.207676	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+H"	1.007276
"680516"	763.307876	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+H"	1.007276
"1351638"	255.107476	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H"	1.007276
"126836"	255.107476	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+2H"	2.014552
"568584"	382.157576	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+2H"	2.014552
"1045769"	128.057376	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2H"	2.014552
"211482"	170.407409333333	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+3H"	3.021828
"647035"	255.107476	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+3H"	3.021828
"1168079"	85.7073426666667	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+3H"	3.021828
"428070"	526.234223	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+NH4"	18.033823
"790159"	780.334423	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+NH4"	18.033823
"1682962"	272.134023	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+NH4"	18.033823
"331848"	263.6207495	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+H+NH4"	19.041099
"724755"	390.6708495	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+H+NH4"	19.041099
"1478337"	136.5706495	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H+NH4"	19.041099
"393861"	531.189618	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+Na"	22.989218
"755456"	785.289818	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+Na"	22.989218
"1603800"	277.089418	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Na"	22.989218
"314808"	266.098447	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+H+Na"	23.996494
"709060"	393.148547	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+H+Na"	23.996494
"1466154"	139.048347	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H+Na"	23.996494
"1053085"	93.0346566666667	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2H+Na"	25.00377
"1262179"	287.133686	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+CH3OH+H"	33.033486
"385131"	547.163558	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+K"	38.963158
"748315"	801.263758	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+K"	38.963158
"1548180"	293.063358	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+K"	38.963158
"313744"	274.085417	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+H+K"	39.970434
"703249"	401.135517	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+H+K"	39.970434
"1459991"	147.035317	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H+K"	39.970434
"247859"	550.234226	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+ACN+H"	42.033826
"1225192"	296.134026	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+ACN+H"	42.033826
"1208830"	148.570651	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+ACN+2H"	43.041102
"203643"	553.17156	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+2Na-H"	44.97116
"643449"	807.27176	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+2Na-H"	44.97116
"1136018"	299.07136	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2Na-H"	44.97116
"183681"	277.089418	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+2Na"	45.978436
"623239"	404.139518	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+2Na"	45.978436
"1130390"	150.039318	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2Na"	45.978436
"1410269"	100.361970666667	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H+2Na"	46.985712
"1440197"	301.112946	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H+HCOOH"	47.012746
"227705"	282.12244	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+3H2O+2H"	56.04448
"1514674"	315.16499	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+IsoProp+H"	61.06479
"409989"	285.076388	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+Na+K"	61.952376
"779739"	412.126488	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+Na+K"	61.952376
"1673882"	158.026288	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Na+K"	61.952376
"261497"	572.216168	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+ACN+Na"	64.015768
"1233113"	318.115968	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+ACN+Na"	64.015768
"1726381"	318.139493	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+NH4+HCOOH"	64.039293
"1189547"	107.689284666667	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+3Na"	68.967654
"1664665"	323.094888	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Na+HCOOH"	68.994688
"170555"	585.11944	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+2K-H"	76.91904
"610115"	839.21964	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+2K-H"	76.91904
"1097786"	331.01924	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2K-H"	76.91904
"151564"	293.063358	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"2M+2K"	77.926316
"588938"	420.113458	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"3M+2K"	77.926316
"1069318"	166.013258	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2K"	77.926316
"1100581"	333.033792	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2K+H"	78.933592
"1341950"	333.121407	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+DMSO+H"	79.021207
"1007562"	337.160576	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2ACN+H"	83.060376
"1530794"	338.154208	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+IsoProp+Na+H"	84.054008
"1001617"	169.083926	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+2ACN+2H"	84.067652
"1591745"	339.068828	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+K+HCOOH"	84.968628
"1415580"	369.100338	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+H+CF3COOH"	115.000138
"1157536"	189.597201	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+3ACN+2H"	125.094202
"1702711"	386.126885	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+NH4+CF3COOH"	132.026685
"1642739"	391.08228	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+Na+CF3COOH"	136.98208
"1572921"	407.05622	"C11546"	"2-O-(alpha-D-Glucopyranosyl)glycerol;2-O-alpha-D-Glucosylglycerol"	"C9H18O8"	"254.1002"	"M+K+CF3COOH"	152.95602
"802928"	499.9287	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M"	0
"988492"	480.91031	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H2O-H"	-19.01839
"72724"	332.278524	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-3H"	-3.021828
"511192"	498.921424	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-3H"	-3.021828
"890088"	165.635624	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-3H"	-3.021828
"1736"	498.921424	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H"	-2.014552
"443848"	748.885774	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H"	-2.014552
"820920"	248.957074	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H"	-2.014552
"82007"	998.850124	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H"	-1.007276
"526670"	1498.778824	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H"	-1.007276
"910436"	498.921424	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H"	-1.007276
"62026"	1015.876671	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+NH4"	16.019271
"501951"	1515.805371	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+NH4"	16.019271
"879918"	515.947971	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+NH4"	16.019271
"47038"	1020.832066	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+Na"	20.974666
"487014"	1520.760766	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+Na"	20.974666
"861487"	520.903366	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+Na"	20.974666
"1628835"	520.903366	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na-2H"	20.974666
"107185"	516.909763	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-H+Cl"	33.962126
"547105"	766.874113	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-H+Cl"	33.962126
"939528"	266.945413	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+Cl"	33.962126
"276990"	1034.826802	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Cl"	34.969402
"666494"	1534.755502	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Cl"	34.969402
"1278537"	534.898102	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl"	34.969402
"22186"	1036.806006	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M-2H+K"	36.948606
"457491"	1536.734706	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M-2H+K"	36.948606
"834083"	536.877306	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-2H+K"	36.948606
"1556713"	536.877306	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K-2H"	36.948606
"943625"	544.926894	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+HCOOH"	44.998194
"362444"	1044.855601	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+HCOOH-H"	44.998201
"346208"	1058.871251	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Hac-H"	59.013851
"1494680"	558.942551	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Hac-H"	59.013851
"960642"	566.908851	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+NaCOOH"	66.980151
"110228"	534.898102	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Cl"	69.938804
"565556"	784.862452	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Cl"	69.938804
"1032133"	284.933752	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Cl"	69.938804
"1244060"	578.847585	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Br"	78.918885
"1306507"	580.903572	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+HCOOH"	80.974872
"1322909"	602.885529	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+NaCOOH"	102.956829
"916156"	612.914286	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M-H+CF3COOH"	112.985586
"1298334"	648.890964	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Cl+CF3COOH"	148.962264
"1372121"	464.916024	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-2H2O"	-35.012676
"1394362"	482.926	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H-H2O"	-17.0027
"294775"	1000.864676	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H"	1.007276
"685008"	1500.793376	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H"	1.007276
"1358077"	500.935976	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H"	1.007276
"130966"	500.935976	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2H"	2.014552
"569432"	750.900326	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2H"	2.014552
"1041146"	250.971626	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H"	2.014552
"205766"	334.293076	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H"	3.021828
"646417"	500.935976	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+3H"	3.021828
"1164543"	167.650176	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3H"	3.021828
"425992"	1017.891223	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+NH4"	18.033823
"789538"	1517.819923	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+NH4"	18.033823
"1682710"	517.962523	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4"	18.033823
"330868"	509.4492495	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+NH4"	19.041099
"730588"	759.4135995	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+NH4"	19.041099
"1488785"	259.4848995	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+NH4"	19.041099
"404186"	1022.846618	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na"	22.989218
"758621"	1522.775318	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na"	22.989218
"1605625"	522.917918	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na"	22.989218
"327342"	511.926947	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+Na"	23.996494
"719035"	761.891297	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+Na"	23.996494
"1476943"	261.962597	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+Na"	23.996494
"1068377"	174.97749	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2H+Na"	25.00377
"1272646"	532.962186	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+CH3OH+H"	33.033486
"392755"	1038.820558	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+K"	38.963158
"753659"	1538.749258	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+K"	38.963158
"1553767"	538.891858	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K"	38.963158
"312401"	519.913917	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+H+K"	39.970434
"696074"	769.878267	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+H+K"	39.970434
"1450255"	269.949567	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+K"	39.970434
"242500"	1041.891226	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+H"	42.033826
"1215574"	541.962526	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+H"	42.033826
"1199093"	271.484901	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+2H"	43.041102
"195246"	1044.82856	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na-H"	44.97116
"635898"	1544.75726	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na-H"	44.97116
"1138313"	544.89986	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na-H"	44.97116
"182712"	522.917918	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2Na"	45.978436
"625920"	772.882268	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2Na"	45.978436
"1126875"	272.953568	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2Na"	45.978436
"1408210"	182.304804	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+2Na"	46.985712
"1441418"	546.941446	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+HCOOH"	47.012746
"231117"	527.95094	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+3H2O+2H"	56.04448
"1520271"	560.99349	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+H"	61.06479
"421050"	530.904888	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+Na+K"	61.952376
"784840"	780.869238	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+Na+K"	61.952376
"1676187"	280.940538	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+K"	61.952376
"264529"	1063.873168	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+ACN+Na"	64.015768
"1235416"	563.944468	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+ACN+Na"	64.015768
"1718835"	563.967993	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+HCOOH"	64.039293
"1185282"	189.632118	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3Na"	68.967654
"1657363"	568.923388	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+HCOOH"	68.994688
"168597"	1076.77644	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K-H"	76.91904
"607066"	1576.70514	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K-H"	76.91904
"1093764"	576.84774	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K-H"	76.91904
"146206"	538.891858	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"2M+2K"	77.926316
"590144"	788.856208	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"3M+2K"	77.926316
"1079032"	288.927508	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K"	77.926316
"1110055"	578.862292	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2K+H"	78.933592
"1344252"	578.949907	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+DMSO+H"	79.021207
"1020974"	582.989076	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+H"	83.060376
"1537840"	583.982708	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+IsoProp+Na+H"	84.054008
"1003800"	291.998176	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+2ACN+2H"	84.067652
"1599516"	584.897328	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+HCOOH"	84.968628
"1420805"	614.928838	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+H+CF3COOH"	115.000138
"1152185"	312.511451	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+3ACN+2H"	125.094202
"1698457"	631.955385	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+NH4+CF3COOH"	132.026685
"1639576"	636.91078	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+Na+CF3COOH"	136.98208
"1580694"	652.88472	"C11555"	"1D-myo-Inositol 1456-tetrakisphosphate;D-myo-Inositol 1456-tetrakisphosphate;Inositol 1456-tetrakisphosphate"	"C6H16O18P4"	"499.9287"	"M+K+CF3COOH"	152.95602
"804499"	319.1685	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M"	0
"987874"	300.15011	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-H2O-H"	-19.01839
"73929"	211.771724	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M-3H"	-3.021828
"505835"	318.161224	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M-3H"	-3.021828
"882543"	105.382224	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-3H"	-3.021828
"628"	318.161224	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M-2H"	-2.014552
"448335"	477.745474	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M-2H"	-2.014552
"825045"	158.576974	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-2H"	-2.014552
"93794"	637.329724	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M-H"	-1.007276
"533564"	956.498224	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M-H"	-1.007276
"910880"	318.161224	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-H"	-1.007276
"62459"	654.356271	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M-2H+NH4"	16.019271
"502672"	973.524771	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M-2H+NH4"	16.019271
"878153"	335.187771	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-2H+NH4"	16.019271
"46954"	659.311666	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M-2H+Na"	20.974666
"486063"	978.480166	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M-2H+Na"	20.974666
"864036"	340.143166	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-2H+Na"	20.974666
"1633197"	340.143166	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Na-2H"	20.974666
"106565"	336.149563	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M-H+Cl"	33.962126
"543936"	495.733813	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M-H+Cl"	33.962126
"938545"	176.565313	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-H+Cl"	33.962126
"274917"	673.306402	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+Cl"	34.969402
"667338"	992.474902	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+Cl"	34.969402
"1275369"	354.137902	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Cl"	34.969402
"22299"	675.285606	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M-2H+K"	36.948606
"456994"	994.454106	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M-2H+K"	36.948606
"834554"	356.117106	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-2H+K"	36.948606
"1556581"	356.117106	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+K-2H"	36.948606
"942898"	364.166694	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-H+HCOOH"	44.998194
"361451"	683.335201	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+HCOOH-H"	44.998201
"345790"	697.350851	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+Hac-H"	59.013851
"1492759"	378.182351	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Hac-H"	59.013851
"970604"	386.148651	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-H+NaCOOH"	66.980151
"125474"	354.137902	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+2Cl"	69.938804
"560167"	513.722152	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+2Cl"	69.938804
"1031153"	194.553652	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2Cl"	69.938804
"1251824"	398.087385	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Br"	78.918885
"1313180"	400.143372	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Cl+HCOOH"	80.974872
"1323020"	422.125329	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Cl+NaCOOH"	102.956829
"915172"	432.154086	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M-H+CF3COOH"	112.985586
"1299542"	468.130764	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Cl+CF3COOH"	148.962264
"1379525"	284.155824	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H-2H2O"	-35.012676
"1393011"	302.1658	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H-H2O"	-17.0027
"294886"	639.344276	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+H"	1.007276
"682933"	958.512776	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+H"	1.007276
"1361837"	320.175776	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H"	1.007276
"134360"	320.175776	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+2H"	2.014552
"576472"	479.760026	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+2H"	2.014552
"1043812"	160.591526	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2H"	2.014552
"207702"	213.786276	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+3H"	3.021828
"645804"	320.175776	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+3H"	3.021828
"1167940"	107.396776	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+3H"	3.021828
"434861"	656.370823	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+NH4"	18.033823
"800971"	975.539323	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+NH4"	18.033823
"1696205"	337.202323	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+NH4"	18.033823
"342293"	328.6890495	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+H+NH4"	19.041099
"731798"	488.2732995	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+H+NH4"	19.041099
"1488900"	169.1047995	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H+NH4"	19.041099
"399924"	661.326218	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+Na"	22.989218
"768226"	980.494718	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+Na"	22.989218
"1617298"	342.157718	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Na"	22.989218
"326725"	331.166747	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+H+Na"	23.996494
"721820"	490.750997	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+H+Na"	23.996494
"1476127"	171.582497	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H+Na"	23.996494
"1068156"	114.72409	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2H+Na"	25.00377
"1272344"	352.201986	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+CH3OH+H"	33.033486
"391928"	677.300158	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+K"	38.963158
"754138"	996.468658	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+K"	38.963158
"1551697"	358.131658	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+K"	38.963158
"311058"	339.153717	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+H+K"	39.970434
"703481"	498.737967	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+H+K"	39.970434
"1458394"	179.569467	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H+K"	39.970434
"250278"	680.370826	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+ACN+H"	42.033826
"1217516"	361.202326	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+ACN+H"	42.033826
"1201400"	181.104801	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+ACN+2H"	43.041102
"203833"	683.30816	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+2Na-H"	44.97116
"642956"	1002.47666	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+2Na-H"	44.97116
"1142455"	364.13966	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2Na-H"	44.97116
"187205"	342.157718	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+2Na"	45.978436
"627130"	501.741968	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+2Na"	45.978436
"1130271"	182.573468	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2Na"	45.978436
"1403948"	122.051404	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H+2Na"	46.985712
"1436067"	366.181246	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H+HCOOH"	47.012746
"226855"	347.19074	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+3H2O+2H"	56.04448
"1519292"	380.23329	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+IsoProp+H"	61.06479
"417884"	350.144688	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+Na+K"	61.952376
"784346"	509.728938	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+Na+K"	61.952376
"1676304"	190.560438	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Na+K"	61.952376
"257356"	702.352768	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+ACN+Na"	64.015768
"1233343"	383.184268	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+ACN+Na"	64.015768
"1718947"	383.207793	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+NH4+HCOOH"	64.039293
"1185396"	129.378718	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+3Na"	68.967654
"1655289"	388.163188	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Na+HCOOH"	68.994688
"165427"	715.25604	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+2K-H"	76.91904
"601707"	1034.42454	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+2K-H"	76.91904
"1088406"	396.08754	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2K-H"	76.91904
"145226"	358.131658	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"2M+2K"	77.926316
"585884"	517.715908	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"3M+2K"	77.926316
"1081332"	198.547408	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2K"	77.926316
"1115484"	398.102092	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2K+H"	78.933592
"1350079"	398.189707	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+DMSO+H"	79.021207
"1020884"	402.228876	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2ACN+H"	83.060376
"1539737"	403.222508	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+IsoProp+Na+H"	84.054008
"1001845"	201.618076	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+2ACN+2H"	84.067652
"1596347"	404.137128	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+K+HCOOH"	84.968628
"1416904"	434.168638	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+H+CF3COOH"	115.000138
"1151203"	222.131351	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+3ACN+2H"	125.094202
"1701848"	451.195185	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+NH4+CF3COOH"	132.026685
"1636406"	456.15058	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+Na+CF3COOH"	136.98208
"1571570"	472.12452	"C11560"	"1-Carbazol-9-yl-3-(35-dimethylpyrazol-1-yl)-propan-2-ol"	"C20H21N3O"	"319.1685"	"M+K+CF3COOH"	152.95602
"801502"	406.1197	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M"	0
"987984"	387.10131	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-H2O-H"	-19.01839
"74039"	269.739190666667	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M-3H"	-3.021828
"508132"	405.112424	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M-3H"	-3.021828
"882654"	134.365957333333	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-3H"	-3.021828
"1952"	405.112424	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M-2H"	-2.014552
"441514"	608.172274	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M-2H"	-2.014552
"820778"	202.052574	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-2H"	-2.014552
"89523"	811.232124	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M-H"	-1.007276
"531274"	1217.351824	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M-H"	-1.007276
"909080"	405.112424	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-H"	-1.007276
"62649"	828.258671	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M-2H+NH4"	16.019271
"502737"	1234.378371	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M-2H+NH4"	16.019271
"878989"	422.138971	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-2H+NH4"	16.019271
"45801"	833.214066	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M-2H+Na"	20.974666
"486090"	1239.333766	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M-2H+Na"	20.974666
"864106"	427.094366	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-2H+Na"	20.974666
"1629054"	427.094366	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Na-2H"	20.974666
"106675"	423.100763	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M-H+Cl"	33.962126
"545139"	626.160613	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M-H+Cl"	33.962126
"939749"	220.040913	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-H+Cl"	33.962126
"275023"	847.208802	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+Cl"	34.969402
"665259"	1253.328502	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+Cl"	34.969402
"1282039"	441.089102	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Cl"	34.969402
"19129"	849.188006	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M-2H+K"	36.948606
"456128"	1255.307706	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M-2H+K"	36.948606
"833690"	443.068306	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-2H+K"	36.948606
"1555879"	443.068306	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+K-2H"	36.948606
"943027"	451.117894	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-H+HCOOH"	44.998194
"361651"	857.237601	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+HCOOH-H"	44.998201
"345896"	871.253251	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+Hac-H"	59.013851
"1493000"	465.133551	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Hac-H"	59.013851
"971807"	473.099851	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-H+NaCOOH"	66.980151
"125379"	441.089102	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+2Cl"	69.938804
"560277"	644.148952	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+2Cl"	69.938804
"1031263"	238.029252	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2Cl"	69.938804
"1251934"	485.038585	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Br"	78.918885
"1311103"	487.094572	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Cl+HCOOH"	80.974872
"1324224"	509.076529	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Cl+NaCOOH"	102.956829
"913095"	519.105286	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M-H+CF3COOH"	112.985586
"1299652"	555.081964	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Cl+CF3COOH"	148.962264
"1378542"	371.107024	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H-2H2O"	-35.012676
"1395676"	389.117	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H-H2O"	-17.0027
"292810"	813.246676	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+H"	1.007276
"681950"	1219.366376	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+H"	1.007276
"1361582"	407.126976	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H"	1.007276
"136657"	407.126976	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+2H"	2.014552
"576217"	610.186826	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+2H"	2.014552
"1047203"	204.067126	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2H"	2.014552
"212916"	271.753742666667	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+3H"	3.021828
"647007"	407.126976	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+3H"	3.021828
"1167322"	136.380509333333	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+3H"	3.021828
"434971"	830.273223	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+NH4"	18.033823
"800591"	1236.392923	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+NH4"	18.033823
"1695584"	424.153523	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+NH4"	18.033823
"341674"	415.6402495	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+H+NH4"	19.041099
"730815"	618.7000995	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+H+NH4"	19.041099
"1489010"	212.5803995	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H+NH4"	19.041099
"402221"	835.228618	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+Na"	22.989218
"768702"	1241.348318	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+Na"	22.989218
"1617654"	429.108918	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Na"	22.989218
"329718"	418.117947	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+H+Na"	23.996494
"722629"	621.177797	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+H+Na"	23.996494
"1476987"	215.058097	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H+Na"	23.996494
"1068191"	143.707823333333	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2H+Na"	25.00377
"1272664"	439.153186	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+CH3OH+H"	33.033486
"392283"	851.202558	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+K"	38.963158
"753154"	1257.322258	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+K"	38.963158
"1553994"	445.082858	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+K"	38.963158
"308981"	426.104917	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+H+K"	39.970434
"704685"	629.164767	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+H+K"	39.970434
"1458869"	223.045067	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H+K"	39.970434
"250387"	854.273226	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+ACN+H"	42.033826
"1217626"	448.153526	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+ACN+H"	42.033826
"1202603"	224.580401	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+ACN+2H"	43.041102
"203859"	857.21056	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+2Na-H"	44.97116
"643314"	1263.33026	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+2Na-H"	44.97116
"1145849"	451.09086	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2Na-H"	44.97116
"187804"	429.108918	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+2Na"	45.978436
"628174"	632.168768	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+2Na"	45.978436
"1130993"	226.049068	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2Na"	45.978436
"1402969"	151.035137333333	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H+2Na"	46.985712
"1436179"	453.132446	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H+HCOOH"	47.012746
"231341"	434.14194	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+3H2O+2H"	56.04448
"1522318"	467.18449	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+IsoProp+H"	61.06479
"423787"	437.095888	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+Na+K"	61.952376
"784458"	640.155738	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+Na+K"	61.952376
"1677507"	234.036038	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Na+K"	61.952376
"263663"	876.255168	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+ACN+Na"	64.015768
"1237828"	470.135468	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+ACN+Na"	64.015768
"1719059"	470.158993	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+NH4+HCOOH"	64.039293
"1190974"	158.362451333333	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+3Na"	68.967654
"1653942"	475.114388	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Na+HCOOH"	68.994688
"163353"	889.15844	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+2K-H"	76.91904
"602911"	1295.27814	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+2K-H"	76.91904
"1089610"	483.03874	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2K-H"	76.91904
"147523"	445.082858	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"2M+2K"	77.926316
"589274"	648.142708	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"3M+2K"	77.926316
"1082535"	242.023008	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2K"	77.926316
"1115567"	485.053292	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2K+H"	78.933592
"1350553"	485.140907	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+DMSO+H"	79.021207
"1021292"	489.180076	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2ACN+H"	83.060376
"1538545"	490.173708	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+IsoProp+Na+H"	84.054008
"1003048"	245.093676	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+2ACN+2H"	84.067652
"1596457"	491.088328	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+K+HCOOH"	84.968628
"1417743"	521.119838	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+H+CF3COOH"	115.000138
"1151313"	265.606951	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+3ACN+2H"	125.094202
"1701958"	538.146385	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+NH4+CF3COOH"	132.026685
"1636516"	543.10178	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+Na+CF3COOH"	136.98208
"1571477"	559.07572	"C11561"	"2-(4-Chloro-35-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide"	"C22H19ClN4O2"	"406.1197"	"M+K+CF3COOH"	152.95602
"805812"	367.12	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M"	0
"987975"	348.10161	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-H2O-H"	-19.01839
"73056"	243.739390666667	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M-3H"	-3.021828
"508242"	366.112724	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M-3H"	-3.021828
"882764"	121.366057333333	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-3H"	-3.021828
"2429"	366.112724	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M-2H"	-2.014552
"443083"	549.672724	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M-2H"	-2.014552
"821981"	182.552724	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-2H"	-2.014552
"83066"	733.232724	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M-H"	-1.007276
"527005"	1100.352724	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M-H"	-1.007276
"905902"	366.112724	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-H"	-1.007276
"60766"	750.259271	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M-2H+NH4"	16.019271
"502638"	1117.379271	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M-2H+NH4"	16.019271
"878738"	383.139271	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-2H+NH4"	16.019271
"43354"	755.214666	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M-2H+Na"	20.974666
"485470"	1122.334666	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M-2H+Na"	20.974666
"863886"	388.094666	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-2H+Na"	20.974666
"1630257"	388.094666	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Na-2H"	20.974666
"106785"	384.101063	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M-H+Cl"	33.962126
"545248"	567.661063	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M-H+Cl"	33.962126
"939858"	200.541063	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-H+Cl"	33.962126
"279144"	769.209402	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+Cl"	34.969402
"665369"	1136.329402	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+Cl"	34.969402
"1279962"	402.089402	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Cl"	34.969402
"20330"	771.188606	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M-2H+K"	36.948606
"456319"	1138.308606	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M-2H+K"	36.948606
"833678"	404.068606	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-2H+K"	36.948606
"1555595"	404.068606	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+K-2H"	36.948606
"942876"	412.118194	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-H+HCOOH"	44.998194
"361500"	779.238201	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+HCOOH-H"	44.998201
"345863"	793.253851	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+Hac-H"	59.013851
"1492854"	426.133851	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Hac-H"	59.013851
"969730"	434.100151	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-H+NaCOOH"	66.980151
"125200"	402.089402	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+2Cl"	69.938804
"560387"	585.649402	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+2Cl"	69.938804
"1031373"	218.529402	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2Cl"	69.938804
"1248764"	446.038885	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Br"	78.918885
"1310484"	448.094872	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Cl+HCOOH"	80.974872
"1324334"	470.076829	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Cl+NaCOOH"	102.956829
"913205"	480.105586	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M-H+CF3COOH"	112.985586
"1298669"	516.082264	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Cl+CF3COOH"	148.962264
"1379018"	332.107324	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H-2H2O"	-35.012676
"1395057"	350.1173	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H-H2O"	-17.0027
"289640"	735.247276	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+H"	1.007276
"682061"	1102.367276	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+H"	1.007276
"1357318"	368.127276	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H"	1.007276
"129113"	368.127276	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+2H"	2.014552
"569766"	551.687276	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+2H"	2.014552
"1041846"	184.567276	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2H"	2.014552
"206464"	245.753942666667	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+3H"	3.021828
"647481"	368.127276	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+3H"	3.021828
"1167432"	123.380609333333	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+3H"	3.021828
"436174"	752.273823	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+NH4"	18.033823
"800943"	1119.393823	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+NH4"	18.033823
"1695695"	385.153823	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+NH4"	18.033823
"342513"	376.6405495	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+H+NH4"	19.041099
"729832"	560.2005495	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+H+NH4"	19.041099
"1487663"	193.0805495	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H+NH4"	19.041099
"402332"	757.229218	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+Na"	22.989218
"769799"	1124.349218	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+Na"	22.989218
"1618292"	390.109218	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Na"	22.989218
"329794"	379.118247	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+H+Na"	23.996494
"722457"	562.678247	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+H+Na"	23.996494
"1476928"	195.558247	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H+Na"	23.996494
"1068424"	130.707923333333	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2H+Na"	25.00377
"1272488"	400.153486	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+CH3OH+H"	33.033486
"392150"	773.203158	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+K"	38.963158
"752900"	1140.323158	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+K"	38.963158
"1554833"	406.083158	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+K"	38.963158
"309091"	387.105217	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+H+K"	39.970434
"705160"	570.665217	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+H+K"	39.970434
"1459830"	203.545217	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H+K"	39.970434
"251227"	776.273826	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+ACN+H"	42.033826
"1217736"	409.153826	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+ACN+H"	42.033826
"1203806"	205.080551	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+ACN+2H"	43.041102
"203727"	779.21116	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+2Na-H"	44.97116
"643428"	1146.33116	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+2Na-H"	44.97116
"1145841"	412.09116	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2Na-H"	44.97116
"188427"	390.109218	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+2Na"	45.978436
"628471"	573.669218	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+2Na"	45.978436
"1131227"	206.549218	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2Na"	45.978436
"1408547"	138.035237333333	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H+2Na"	46.985712
"1442851"	414.132746	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H+HCOOH"	47.012746
"235625"	395.14224	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+3H2O+2H"	56.04448
"1522434"	428.18479	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+IsoProp+H"	61.06479
"423576"	398.096188	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+Na+K"	61.952376
"785056"	581.656188	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+Na+K"	61.952376
"1678347"	214.536188	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Na+K"	61.952376
"265597"	798.255768	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+ACN+Na"	64.015768
"1241104"	431.135768	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+ACN+Na"	64.015768
"1722450"	431.159293	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+NH4+HCOOH"	64.039293
"1194177"	145.362551333333	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+3Na"	68.967654
"1655145"	436.114688	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Na+HCOOH"	68.994688
"165651"	811.15904	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+2K-H"	76.91904
"606301"	1178.27904	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+2K-H"	76.91904
"1090813"	444.03904	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2K-H"	76.91904
"147996"	406.083158	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"2M+2K"	77.926316
"584280"	589.643158	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"3M+2K"	77.926316
"1073897"	222.523158	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2K"	77.926316
"1114157"	446.053592	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2K+H"	78.933592
"1351030"	446.141207	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+DMSO+H"	79.021207
"1016395"	450.180376	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2ACN+H"	83.060376
"1539739"	451.174008	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+IsoProp+Na+H"	84.054008
"1003888"	225.593826	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+2ACN+2H"	84.067652
"1593287"	452.088628	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+K+HCOOH"	84.968628
"1416394"	482.120138	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+H+CF3COOH"	115.000138
"1151423"	246.107101	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+3ACN+2H"	125.094202
"1702068"	499.146685	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+NH4+CF3COOH"	132.026685
"1636626"	504.10208	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+Na+CF3COOH"	136.98208
"1571426"	520.07602	"C11562"	"N-2-(4-Chloro-phenyl)-acetyl-N-(47-dimethyl-quinazolin-2-yl)-guanidine"	"C19H18ClN5O"	"367.12"	"M+K+CF3COOH"	152.95602
"804829"	395.1634	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M"	0
"988204"	376.14501	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-H2O-H"	-19.01839
"74259"	262.434990666667	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M-3H"	-3.021828
"510538"	394.156124	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M-3H"	-3.021828
"886153"	130.713857333333	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-3H"	-3.021828
"2904"	394.156124	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M-2H"	-2.014552
"442464"	591.737824	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M-2H"	-2.014552
"826465"	196.574424	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-2H"	-2.014552
"85364"	789.319524	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M-H"	-1.007276
"526019"	1184.482924	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M-H"	-1.007276
"908928"	394.156124	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-H"	-1.007276
"61119"	806.346071	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M-2H+NH4"	16.019271
"501539"	1201.509471	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M-2H+NH4"	16.019271
"879216"	411.182671	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-2H+NH4"	16.019271
"45288"	811.301466	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M-2H+Na"	20.974666
"485094"	1206.464866	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M-2H+Na"	20.974666
"862900"	416.138066	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-2H+Na"	20.974666
"1629275"	416.138066	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Na-2H"	20.974666
"107989"	412.144463	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M-H+Cl"	33.962126
"544265"	609.726163	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M-H+Cl"	33.962126
"940941"	214.562763	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-H+Cl"	33.962126
"278524"	825.296202	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+Cl"	34.969402
"665479"	1220.459602	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+Cl"	34.969402
"1275697"	430.132802	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Cl"	34.969402
"19347"	827.275406	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M-2H+K"	36.948606
"460002"	1222.438806	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M-2H+K"	36.948606
"835614"	432.112006	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-2H+K"	36.948606
"1556791"	432.112006	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+K-2H"	36.948606
"944067"	440.161594	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-H+HCOOH"	44.998194
"361916"	835.325001	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+HCOOH-H"	44.998201
"346079"	849.340651	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+Hac-H"	59.013851
"1493294"	454.177251	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Hac-H"	59.013851
"968749"	462.143551	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-H+NaCOOH"	66.980151
"122031"	430.132802	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+2Cl"	69.938804
"560501"	627.714502	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+2Cl"	69.938804
"1031484"	232.551102	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2Cl"	69.938804
"1245594"	474.082285	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Br"	78.918885
"1312418"	476.138272	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Cl+HCOOH"	80.974872
"1325539"	498.120229	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Cl+NaCOOH"	102.956829
"917692"	508.148986	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M-H+CF3COOH"	112.985586
"1297686"	544.125664	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Cl+CF3COOH"	148.962264
"1378400"	360.150724	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H-2H2O"	-35.012676
"1392980"	378.1607	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H-H2O"	-17.0027
"291937"	791.334076	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+H"	1.007276
"681078"	1186.497476	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+H"	1.007276
"1356335"	396.170676	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H"	1.007276
"129223"	396.170676	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+2H"	2.014552
"568782"	593.752376	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+2H"	2.014552
"1041956"	198.588976	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2H"	2.014552
"207669"	264.449542666667	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+3H"	3.021828
"648685"	396.170676	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+3H"	3.021828
"1170822"	132.728409333333	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+3H"	3.021828
"437378"	808.360623	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+NH4"	18.033823
"799474"	1203.524023	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+NH4"	18.033823
"1695806"	413.197223	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+NH4"	18.033823
"341895"	404.6839495	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+H+NH4"	19.041099
"732128"	602.2656495	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+H+NH4"	19.041099
"1484857"	207.1022495	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H+NH4"	19.041099
"402444"	813.316018	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+Na"	22.989218
"769411"	1208.479418	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+Na"	22.989218
"1615927"	418.152618	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Na"	22.989218
"329251"	407.161647	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+H+Na"	23.996494
"722276"	604.743347	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+H+Na"	23.996494
"1475244"	209.579947	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H+Na"	23.996494
"1067032"	140.055723333333	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2H+Na"	25.00377
"1271863"	428.196886	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+CH3OH+H"	33.033486
"390069"	829.289958	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+K"	38.963158
"753905"	1224.453358	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+K"	38.963158
"1555311"	434.126558	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+K"	38.963158
"313822"	415.148617	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+H+K"	39.970434
"706487"	612.730317	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+H+K"	39.970434
"1460311"	217.566917	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H+K"	39.970434
"250373"	832.360626	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+ACN+H"	42.033826
"1222595"	437.197226	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+ACN+H"	42.033826
"1207933"	219.102251	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+ACN+2H"	43.041102
"202987"	835.29796	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+2Na-H"	44.97116
"642810"	1230.46136	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+2Na-H"	44.97116
"1145342"	440.13456	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2Na-H"	44.97116
"186933"	418.152618	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+2Na"	45.978436
"627704"	615.734318	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+2Na"	45.978436
"1129875"	220.570918	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2Na"	45.978436
"1407199"	147.383037333333	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H+2Na"	46.985712
"1434214"	442.176146	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H+HCOOH"	47.012746
"227189"	423.18564	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+3H2O+2H"	56.04448
"1522543"	456.22819	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+IsoProp+H"	61.06479
"423526"	426.139588	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+Na+K"	61.952376
"784682"	623.721288	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+Na+K"	61.952376
"1677364"	228.557888	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Na+K"	61.952376
"264251"	854.342568	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+ACN+Na"	64.015768
"1238053"	459.179168	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+ACN+Na"	64.015768
"1724751"	459.202693	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+NH4+HCOOH"	64.039293
"1189009"	154.710351333333	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+3Na"	68.967654
"1657810"	464.158088	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Na+HCOOH"	68.994688
"160661"	867.24584	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+2K-H"	76.91904
"601677"	1262.40924	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+2K-H"	76.91904
"1090929"	472.08244	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2K-H"	76.91904
"152121"	434.126558	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"2M+2K"	77.926316
"585119"	631.708258	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"3M+2K"	77.926316
"1074007"	236.544858	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2K"	77.926316
"1115078"	474.096992	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2K+H"	78.933592
"1342509"	474.184607	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+DMSO+H"	79.021207
"1016505"	478.223776	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2ACN+H"	83.060376
"1538765"	479.217408	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+IsoProp+Na+H"	84.054008
"1004119"	239.615526	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+2ACN+2H"	84.067652
"1593397"	480.132028	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+K+HCOOH"	84.968628
"1417962"	510.163538	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+H+CF3COOH"	115.000138
"1151533"	260.128801	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+3ACN+2H"	125.094202
"1699991"	527.190085	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+NH4+CF3COOH"	132.026685
"1636736"	532.14548	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+Na+CF3COOH"	136.98208
"1571658"	548.11942	"C11563"	"1-Benzyl-78-dimethoxy-3-phenyl-3H-pyrazolo34-cisoquinoline"	"C25H21N3O2"	"395.1634"	"M+K+CF3COOH"	152.95602
"801901"	374.1267	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M"	0
"981754"	355.10831	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-H2O-H"	-19.01839
"68173"	248.410524	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M-3H"	-3.021828
"511742"	373.119424	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M-3H"	-3.021828
"882253"	123.701624	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-3H"	-3.021828
"1917"	373.119424	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M-2H"	-2.014552
"447675"	560.182774	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M-2H"	-2.014552
"824389"	186.056074	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-2H"	-2.014552
"83288"	747.246124	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M-H"	-1.007276
"525036"	1121.372824	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M-H"	-1.007276
"909402"	373.119424	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-H"	-1.007276
"59405"	764.272671	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M-2H+NH4"	16.019271
"500059"	1138.399371	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M-2H+NH4"	16.019271
"879570"	390.145971	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-2H+NH4"	16.019271
"43573"	769.228066	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M-2H+Na"	20.974666
"485325"	1143.354766	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M-2H+Na"	20.974666
"862031"	395.101366	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-2H+Na"	20.974666
"1628291"	395.101366	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Na-2H"	20.974666
"107735"	391.107763	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M-H+Cl"	33.962126
"544375"	578.171113	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M-H+Cl"	33.962126
"941171"	204.044413	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-H+Cl"	33.962126
"275354"	783.222802	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+Cl"	34.969402
"665589"	1157.349502	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+Cl"	34.969402
"1275807"	409.096102	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Cl"	34.969402
"19457"	785.202006	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M-2H+K"	36.948606
"456583"	1159.328706	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M-2H+K"	36.948606
"835724"	411.075306	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-2H+K"	36.948606
"1556659"	411.075306	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+K-2H"	36.948606
"943813"	419.124894	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-H+HCOOH"	44.998194
"361589"	793.251601	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+HCOOH-H"	44.998201
"346108"	807.267251	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+Hac-H"	59.013851
"1492811"	433.140551	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Hac-H"	59.013851
"970681"	441.106851	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-H+NaCOOH"	66.980151
"121048"	409.096102	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+2Cl"	69.938804
"558425"	596.159452	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+2Cl"	69.938804
"1028314"	222.032752	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2Cl"	69.938804
"1244610"	453.045585	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Br"	78.918885
"1311435"	455.101572	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Cl+HCOOH"	80.974872
"1322368"	477.083529	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Cl+NaCOOH"	102.956829
"915979"	487.112286	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M-H+CF3COOH"	112.985586
"1295610"	523.088964	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Cl+CF3COOH"	148.962264
"1378510"	339.114024	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H-2H2O"	-35.012676
"1393820"	357.124	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H-H2O"	-17.0027
"292047"	749.260676	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+H"	1.007276
"683376"	1123.387376	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+H"	1.007276
"1356445"	375.133976	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H"	1.007276
"129333"	375.133976	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+2H"	2.014552
"568163"	562.197326	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+2H"	2.014552
"1042066"	188.070626	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2H"	2.014552
"207051"	250.425076	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+3H"	3.021828
"648433"	375.133976	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+3H"	3.021828
"1167652"	125.716176	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+3H"	3.021828
"430925"	766.287223	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+NH4"	18.033823
"799582"	1140.413923	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+NH4"	18.033823
"1695549"	392.160523	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+NH4"	18.033823
"342005"	383.6472495	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+H+NH4"	19.041099
"734428"	570.7105995	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+H+NH4"	19.041099
"1489344"	196.5838995	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H+NH4"	19.041099
"403651"	771.242618	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+Na"	22.989218
"769523"	1145.369318	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+Na"	22.989218
"1618226"	397.115918	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Na"	22.989218
"328983"	386.124947	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+H+Na"	23.996494
"722143"	573.188297	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+H+Na"	23.996494
"1476960"	199.061597	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H+Na"	23.996494
"1067506"	133.04349	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2H+Na"	25.00377
"1272627"	407.160186	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+CH3OH+H"	33.033486
"389087"	787.216558	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+K"	38.963158
"753934"	1161.343258	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+K"	38.963158
"1555142"	413.089858	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+K"	38.963158
"312597"	394.111917	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+H+K"	39.970434
"705020"	581.175267	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+H+K"	39.970434
"1459934"	207.048567	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H+K"	39.970434
"249630"	790.287226	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+ACN+H"	42.033826
"1223920"	416.160526	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+ACN+H"	42.033826
"1209136"	208.583901	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+ACN+2H"	43.041102
"203585"	793.22456	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+2Na-H"	44.97116
"643283"	1167.35126	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+2Na-H"	44.97116
"1145453"	419.09786	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2Na-H"	44.97116
"187894"	397.115918	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+2Na"	45.978436
"627940"	584.179268	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+2Na"	45.978436
"1130835"	210.052568	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2Na"	45.978436
"1412412"	140.370804	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H+2Na"	46.985712
"1440885"	421.139446	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H+HCOOH"	47.012746
"234833"	402.14894	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+3H2O+2H"	56.04448
"1523992"	435.19149	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+IsoProp+H"	61.06479
"424244"	405.102888	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+Na+K"	61.952376
"784669"	592.166238	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+Na+K"	61.952376
"1681133"	218.039538	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Na+K"	61.952376
"266877"	812.269168	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+ACN+Na"	64.015768
"1240229"	438.142468	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+ACN+Na"	64.015768
"1728022"	438.165993	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+NH4+HCOOH"	64.039293
"1191671"	147.698118	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+3Na"	68.967654
"1657920"	443.121388	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Na+HCOOH"	68.994688
"165874"	825.17244	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+2K-H"	76.91904
"601424"	1199.29914	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+2K-H"	76.91904
"1091039"	451.04574	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2K-H"	76.91904
"152231"	413.089858	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"2M+2K"	77.926316
"586322"	600.153208	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"3M+2K"	77.926316
"1071930"	226.026508	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2K"	77.926316
"1115107"	453.060292	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2K+H"	78.933592
"1342619"	453.147907	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+DMSO+H"	79.021207
"1013335"	457.187076	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2ACN+H"	83.060376
"1532553"	458.180708	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+IsoProp+Na+H"	84.054008
"1002284"	229.097176	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+2ACN+2H"	84.067652
"1593507"	459.095328	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+K+HCOOH"	84.968628
"1418072"	489.126838	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+H+CF3COOH"	115.000138
"1151642"	249.610451	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+3ACN+2H"	125.094202
"1701194"	506.153385	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+NH4+CF3COOH"	132.026685
"1636846"	511.10878	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+Na+CF3COOH"	136.98208
"1572132"	527.08272	"C11564"	"N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide"	"C22H18N2O4"	"374.1267"	"M+K+CF3COOH"	152.95602
"802862"	273.1266	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M"	0
"981864"	254.10821	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-H2O-H"	-19.01839
"71199"	181.077124	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M-3H"	-3.021828
"511852"	272.119324	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M-3H"	-3.021828
"884186"	90.034924	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-3H"	-3.021828
"3851"	272.119324	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M-2H"	-2.014552
"449971"	408.682624	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M-2H"	-2.014552
"824499"	135.556024	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-2H"	-2.014552
"84491"	545.245924	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M-H"	-1.007276
"522959"	818.372524	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M-H"	-1.007276
"901853"	272.119324	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-H"	-1.007276
"58421"	562.272471	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M-2H+NH4"	16.019271
"501261"	835.399071	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M-2H+NH4"	16.019271
"875052"	289.145871	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-2H+NH4"	16.019271
"40402"	567.227866	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M-2H+Na"	20.974666
"484341"	840.354466	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M-2H+Na"	20.974666
"858860"	294.101266	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-2H+Na"	20.974666
"1631677"	294.101266	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Na-2H"	20.974666
"109750"	290.107663	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M-H+Cl"	33.962126
"543392"	426.670963	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M-H+Cl"	33.962126
"942013"	153.544363	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-H+Cl"	33.962126
"275463"	581.222602	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+Cl"	34.969402
"665699"	854.349202	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+Cl"	34.969402
"1277010"	308.096002	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Cl"	34.969402
"26127"	583.201806	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M-2H+K"	36.948606
"459124"	856.328406	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M-2H+K"	36.948606
"834740"	310.075206	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-2H+K"	36.948606
"1558228"	310.075206	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+K-2H"	36.948606
"945017"	318.124794	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-H+HCOOH"	44.998194
"361893"	591.251401	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+HCOOH-H"	44.998201
"346096"	605.267051	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+Hac-H"	59.013851
"1493107"	332.140451	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Hac-H"	59.013851
"971155"	340.106751	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-H+NaCOOH"	66.980151
"120794"	308.096002	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+2Cl"	69.938804
"559627"	444.659302	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+2Cl"	69.938804
"1028424"	171.532702	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2Cl"	69.938804
"1244720"	352.045485	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Br"	78.918885
"1313731"	354.101472	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Cl+HCOOH"	80.974872
"1323572"	376.083429	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Cl+NaCOOH"	102.956829
"922285"	386.112186	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M-H+CF3COOH"	112.985586
"1297907"	422.088864	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Cl+CF3COOH"	148.962264
"1378255"	238.113924	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H-2H2O"	-35.012676
"1394294"	256.1239	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H-H2O"	-17.0027
"289968"	547.260476	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+H"	1.007276
"683486"	820.387076	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+H"	1.007276
"1359471"	274.133876	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H"	1.007276
"130536"	274.133876	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+2H"	2.014552
"569366"	410.697176	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+2H"	2.014552
"1045456"	137.570576	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2H"	2.014552
"207161"	183.091676	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+3H"	3.021828
"649637"	274.133876	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+3H"	3.021828
"1169949"	92.049476	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+3H"	3.021828
"432129"	564.287023	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+NH4"	18.033823
"798599"	837.413623	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+NH4"	18.033823
"1696024"	291.160423	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+NH4"	18.033823
"343209"	282.6471495	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+H+NH4"	19.041099
"732352"	419.2104495	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+H+NH4"	19.041099
"1488361"	146.0838495	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H+NH4"	19.041099
"405947"	569.242418	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+Na"	22.989218
"769793"	842.369018	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+Na"	22.989218
"1618313"	296.115818	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Na"	22.989218
"325082"	285.124847	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+H+Na"	23.996494
"722582"	421.688147	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+H+Na"	23.996494
"1476554"	148.561547	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H+Na"	23.996494
"1067855"	99.37679	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2H+Na"	25.00377
"1272324"	306.160086	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+CH3OH+H"	33.033486
"391384"	585.216358	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+K"	38.963158
"753839"	858.342958	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+K"	38.963158
"1555464"	312.089758	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+K"	38.963158
"313072"	293.111817	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+H+K"	39.970434
"705859"	429.675117	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+H+K"	39.970434
"1460649"	156.548517	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H+K"	39.970434
"249740"	588.287026	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+ACN+H"	42.033826
"1222813"	315.160426	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+ACN+H"	42.033826
"1208150"	158.083851	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+ACN+2H"	43.041102
"203207"	591.22436	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+2Na-H"	44.97116
"643879"	864.35096	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+2Na-H"	44.97116
"1146770"	318.09776	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2Na-H"	44.97116
"188247"	296.115818	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+2Na"	45.978436
"628435"	432.679118	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+2Na"	45.978436
"1130582"	159.552518	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2Na"	45.978436
"1411065"	106.704104	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H+2Na"	46.985712
"1445128"	320.139346	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H+HCOOH"	47.012746
"234905"	301.14884	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+3H2O+2H"	56.04448
"1523374"	334.19139	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+IsoProp+H"	61.06479
"423183"	304.102788	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+Na+K"	61.952376
"785423"	440.666088	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+Na+K"	61.952376
"1679774"	167.539488	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Na+K"	61.952376
"266544"	610.268968	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+ACN+Na"	64.015768
"1241223"	337.142368	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+ACN+Na"	64.015768
"1727768"	337.165893	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+NH4+HCOOH"	64.039293
"1191052"	114.031418	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+3Na"	68.967654
"1660217"	342.121288	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Na+HCOOH"	68.994688
"164891"	623.17224	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+2K-H"	76.91904
"606637"	896.29884	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+2K-H"	76.91904
"1094429"	350.04564	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2K-H"	76.91904
"156477"	312.089758	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"2M+2K"	77.926316
"590805"	448.653058	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"3M+2K"	77.926316
"1073133"	175.526458	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2K"	77.926316
"1115217"	352.060192	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2K+H"	78.933592
"1346009"	352.147807	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+DMSO+H"	79.021207
"1013445"	356.186976	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2ACN+H"	83.060376
"1532663"	357.180608	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+IsoProp+Na+H"	84.054008
"1001302"	178.597126	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+2ACN+2H"	84.067652
"1594710"	358.095228	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+K+HCOOH"	84.968628
"1421465"	388.126738	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+H+CF3COOH"	115.000138
"1151754"	199.110401	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+3ACN+2H"	125.094202
"1702398"	405.153285	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+NH4+CF3COOH"	132.026685
"1640237"	410.10868	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+Na+CF3COOH"	136.98208
"1571878"	426.08262	"C11565"	"8-Allyl-2-phenyl-8H-13a8-triaza-cyclopentaaindene"	"C18H15N3"	"273.1266"	"M+K+CF3COOH"	152.95602
"802972"	300.0666	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M"	0
"981974"	281.04821	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-H2O-H"	-19.01839
"71309"	199.037124	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M-3H"	-3.021828
"511962"	299.059324	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M-3H"	-3.021828
"884296"	99.014924	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-3H"	-3.021828
"5055"	299.059324	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M-2H"	-2.014552
"450081"	449.092624	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M-2H"	-2.014552
"821329"	149.026024	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-2H"	-2.014552
"81321"	599.125924	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M-H"	-1.007276
"521976"	899.192524	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M-H"	-1.007276
"900870"	299.059324	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-H"	-1.007276
"56344"	616.152471	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M-2H+NH4"	16.019271
"499913"	916.219071	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M-2H+NH4"	16.019271
"877227"	316.085871	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-2H+NH4"	16.019271
"39418"	621.107866	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M-2H+Na"	20.974666
"482262"	921.174466	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M-2H+Na"	20.974666
"856780"	321.041266	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-2H+Na"	20.974666
"1631787"	321.041266	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Na-2H"	20.974666
"106131"	317.047663	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M-H+Cl"	33.962126
"543502"	467.080963	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M-H+Cl"	33.962126
"941879"	167.014363	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-H+Cl"	33.962126
"278853"	635.102602	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+Cl"	34.969402
"669089"	935.169202	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+Cl"	34.969402
"1274932"	335.036002	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Cl"	34.969402
"18582"	637.081806	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M-2H+K"	36.948606
"459234"	937.148406	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M-2H+K"	36.948606
"833106"	337.015206	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-2H+K"	36.948606
"1555685"	337.015206	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+K-2H"	36.948606
"944030"	345.064794	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-H+HCOOH"	44.998194
"365526"	645.131401	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+HCOOH-H"	44.998201
"346127"	659.147051	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+Hac-H"	59.013851
"1493136"	359.080451	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Hac-H"	59.013851
"972358"	367.046751	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-H+NaCOOH"	66.980151
"123454"	335.036002	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+2Cl"	69.938804
"560830"	485.069302	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+2Cl"	69.938804
"1029627"	185.002702	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2Cl"	69.938804
"1246288"	378.985485	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Br"	78.918885
"1309466"	381.041472	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Cl+HCOOH"	80.974872
"1324774"	403.023429	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Cl+NaCOOH"	102.956829
"919115"	413.052186	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M-H+CF3COOH"	112.985586
"1299110"	449.028864	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Cl+CF3COOH"	148.962264
"1379458"	265.053924	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H-2H2O"	-35.012676
"1394405"	283.0639	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H-H2O"	-17.0027
"286798"	601.140476	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+H"	1.007276
"684327"	901.207076	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+H"	1.007276
"1362135"	301.073876	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H"	1.007276
"131741"	301.073876	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+2H"	2.014552
"571300"	451.107176	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+2H"	2.014552
"1045566"	151.040576	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2H"	2.014552
"207999"	201.051676	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+3H"	3.021828
"647560"	301.073876	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+3H"	3.021828
"1163499"	101.029476	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+3H"	3.021828
"430052"	618.167023	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+NH4"	18.033823
"796157"	918.233623	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+NH4"	18.033823
"1695040"	318.100423	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+NH4"	18.033823
"343319"	309.5871495	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+H+NH4"	19.041099
"732462"	459.6204495	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+H+NH4"	19.041099
"1485184"	159.5538495	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H+NH4"	19.041099
"404600"	623.122418	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+Na"	22.989218
"769740"	923.189018	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+Na"	22.989218
"1618325"	323.055818	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Na"	22.989218
"329093"	312.064847	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+H+Na"	23.996494
"722753"	462.098147	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+H+Na"	23.996494
"1476789"	162.031547	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H+Na"	23.996494
"1067841"	108.35679	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2H+Na"	25.00377
"1272318"	333.100086	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+CH3OH+H"	33.033486
"390402"	639.096358	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+K"	38.963158
"753220"	939.162958	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+K"	38.963158
"1552355"	339.029758	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+K"	38.963158
"312818"	320.051817	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+H+K"	39.970434
"703050"	470.085117	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+H+K"	39.970434
"1460153"	170.018517	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H+K"	39.970434
"248028"	642.167026	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+ACN+H"	42.033826
"1223287"	342.100426	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+ACN+H"	42.033826
"1203155"	171.553851	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+ACN+2H"	43.041102
"201859"	645.10436	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+2Na-H"	44.97116
"643873"	945.17096	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+2Na-H"	44.97116
"1146773"	345.03776	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2Na-H"	44.97116
"188283"	323.055818	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+2Na"	45.978436
"627426"	473.089118	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+2Na"	45.978436
"1131104"	173.022518	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2Na"	45.978436
"1413657"	115.684104	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H+2Na"	46.985712
"1445116"	347.079346	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H+HCOOH"	47.012746
"235135"	328.08884	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+3H2O+2H"	56.04448
"1523685"	361.13139	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+IsoProp+H"	61.06479
"423536"	331.042788	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+Na+K"	61.952376
"785253"	481.076088	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+Na+K"	61.952376
"1681063"	181.009488	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Na+K"	61.952376
"266695"	664.148968	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+ACN+Na"	64.015768
"1241105"	364.082368	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+ACN+Na"	64.015768
"1727634"	364.105893	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+NH4+HCOOH"	64.039293
"1191162"	123.011418	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+3Na"	68.967654
"1660327"	369.061288	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Na+HCOOH"	68.994688
"166094"	677.05224	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+2K-H"	76.91904
"606747"	977.11884	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+2K-H"	76.91904
"1094539"	376.98564	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2K-H"	76.91904
"156342"	339.029758	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"2M+2K"	77.926316
"589822"	489.063058	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"3M+2K"	77.926316
"1074336"	188.996458	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2K"	77.926316
"1109733"	379.000192	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2K+H"	78.933592
"1346118"	379.087807	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+DMSO+H"	79.021207
"1010273"	383.126976	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2ACN+H"	83.060376
"1532773"	384.120608	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+IsoProp+Na+H"	84.054008
"999225"	192.067126	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+2ACN+2H"	84.067652
"1594820"	385.035228	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+K+HCOOH"	84.968628
"1421575"	415.066738	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+H+CF3COOH"	115.000138
"1151864"	212.580401	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+3ACN+2H"	125.094202
"1702508"	432.093285	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+NH4+CF3COOH"	132.026685
"1640347"	437.04868	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+Na+CF3COOH"	136.98208
"1572352"	453.02262	"C11566"	"3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-124oxadiazole"	"C16H13ClN2O2"	"300.0666"	"M+K+CF3COOH"	152.95602
"801989"	341.102	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M"	0
"982084"	322.08361	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-H2O-H"	-19.01839
"71419"	226.394057333333	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M-3H"	-3.021828
"512072"	340.094724	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M-3H"	-3.021828
"882219"	112.693390666667	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-3H"	-3.021828
"2979"	340.094724	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M-2H"	-2.014552
"449098"	510.645724	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M-2H"	-2.014552
"820345"	169.543724	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-2H"	-2.014552
"82524"	681.196724	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M-H"	-1.007276
"523177"	1022.298724	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M-H"	-1.007276
"899885"	340.094724	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-H"	-1.007276
"51706"	698.223271	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M-2H+NH4"	16.019271
"496011"	1039.325271	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M-2H+NH4"	16.019271
"874906"	357.121271	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-2H+NH4"	16.019271
"36246"	703.178666	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M-2H+Na"	20.974666
"475812"	1044.280666	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M-2H+Na"	20.974666
"854703"	362.076666	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-2H+Na"	20.974666
"1625337"	362.076666	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Na-2H"	20.974666
"106240"	358.083063	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M-H+Cl"	33.962126
"539239"	528.634063	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M-H+Cl"	33.962126
"940287"	187.532063	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-H+Cl"	33.962126
"273496"	717.173402	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+Cl"	34.969402
"668106"	1058.275402	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+Cl"	34.969402
"1275042"	376.071402	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Cl"	34.969402
"20879"	719.152606	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M-2H+K"	36.948606
"456186"	1060.254606	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M-2H+K"	36.948606
"833868"	378.050606	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-2H+K"	36.948606
"1555672"	378.050606	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+K-2H"	36.948606
"942812"	386.100194	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-H+HCOOH"	44.998194
"361865"	727.202201	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+HCOOH-H"	44.998201
"346605"	741.217851	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+Hac-H"	59.013851
"1493610"	400.115851	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Hac-H"	59.013851
"971375"	408.082151	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-H+NaCOOH"	66.980151
"122837"	376.071402	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+2Cl"	69.938804
"557659"	546.622402	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+2Cl"	69.938804
"1029737"	205.520402	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2Cl"	69.938804
"1244941"	420.020885	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Br"	78.918885
"1307390"	422.076872	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Cl+HCOOH"	80.974872
"1322697"	444.058829	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Cl+NaCOOH"	102.956829
"915942"	454.087586	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M-H+CF3COOH"	112.985586
"1300314"	490.064264	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Cl+CF3COOH"	148.962264
"1382487"	306.089324	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H-2H2O"	-35.012676
"1392689"	324.0993	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H-H2O"	-17.0027
"292377"	683.211276	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+H"	1.007276
"678237"	1024.313276	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+H"	1.007276
"1359692"	342.109276	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H"	1.007276
"129663"	342.109276	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+2H"	2.014552
"567157"	512.660276	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+2H"	2.014552
"1041302"	171.558276	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2H"	2.014552
"208110"	228.408609333333	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+3H"	3.021828
"646940"	342.109276	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+3H"	3.021828
"1166889"	114.707942666667	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+3H"	3.021828
"427975"	700.237823	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+NH4"	18.033823
"798091"	1041.339823	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+NH4"	18.033823
"1693325"	359.135823	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+NH4"	18.033823
"343065"	350.6225495	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+H+NH4"	19.041099
"730382"	521.1735495	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+H+NH4"	19.041099
"1483108"	180.0715495	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H+NH4"	19.041099
"405074"	705.193218	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+Na"	22.989218
"768636"	1046.295218	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+Na"	22.989218
"1617825"	364.091218	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Na"	22.989218
"329688"	353.100247	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+H+Na"	23.996494
"721867"	523.651247	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+H+Na"	23.996494
"1476775"	182.549247	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H+Na"	23.996494
"1066737"	122.035256666667	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2H+Na"	25.00377
"1271699"	374.135486	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+CH3OH+H"	33.033486
"390513"	721.167158	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+K"	38.963158
"751508"	1062.269158	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+K"	38.963158
"1549187"	380.065158	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+K"	38.963158
"307454"	361.087217	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+H+K"	39.970434
"700968"	531.638217	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+H+K"	39.970434
"1456614"	190.536217	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H+K"	39.970434
"243393"	724.237826	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+ACN+H"	42.033826
"1215006"	383.135826	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+ACN+H"	42.033826
"1201079"	192.071551	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+ACN+2H"	43.041102
"201241"	727.17516	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+2Na-H"	44.97116
"644043"	1068.27716	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+2Na-H"	44.97116
"1146803"	386.07316	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2Na-H"	44.97116
"188381"	364.091218	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+2Na"	45.978436
"627415"	534.642218	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+2Na"	45.978436
"1131205"	193.540218	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2Na"	45.978436
"1414050"	129.362570666667	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H+2Na"	46.985712
"1444133"	388.114746	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H+HCOOH"	47.012746
"234924"	369.12424	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+3H2O+2H"	56.04448
"1523713"	402.16679	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+IsoProp+H"	61.06479
"423642"	372.078188	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+Na+K"	61.952376
"784998"	542.629188	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+Na+K"	61.952376
"1680845"	201.527188	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Na+K"	61.952376
"266966"	746.219768	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+ACN+Na"	64.015768
"1241047"	405.117768	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+ACN+Na"	64.015768
"1724826"	405.141293	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+NH4+HCOOH"	64.039293
"1191272"	136.689884666667	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+3Na"	68.967654
"1658251"	410.096688	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Na+HCOOH"	68.994688
"165111"	759.12304	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+2K-H"	76.91904
"609044"	1100.22504	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+2K-H"	76.91904
"1094649"	418.02104	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2K-H"	76.91904
"154749"	380.065158	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"2M+2K"	77.926316
"588839"	550.616158	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"3M+2K"	77.926316
"1074446"	209.514158	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2K"	77.926316
"1109843"	420.035592	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2K+H"	78.933592
"1345135"	420.123207	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+DMSO+H"	79.021207
"1008197"	424.162376	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2ACN+H"	83.060376
"1528508"	425.156008	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+IsoProp+Na+H"	84.054008
"999335"	212.584826	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+2ACN+2H"	84.067652
"1593837"	426.070628	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+K+HCOOH"	84.968628
"1421685"	456.102138	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+H+CF3COOH"	115.000138
"1151974"	233.098101	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+3ACN+2H"	125.094202
"1700431"	473.128685	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+NH4+CF3COOH"	132.026685
"1640457"	478.08408	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+Na+CF3COOH"	136.98208
"1571734"	494.05802	"C11567"	"2-Phenethylsulfanyl-5678-tetrahydro-benzo45thieno23-dpyrimidin-4-ylamine"	"C18H19N3S2"	"341.102"	"M+K+CF3COOH"	152.95602
"802827"	355.1321	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M"	0
"982194"	336.11371	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-H2O-H"	-19.01839
"71529"	235.747457333333	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M-3H"	-3.021828
"508902"	354.124824	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M-3H"	-3.021828
"882329"	117.370090666667	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-3H"	-3.021828
"4181"	354.124824	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M-2H"	-2.014552
"447022"	531.690874	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M-2H"	-2.014552
"821548"	176.558774	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-2H"	-2.014552
"84821"	709.256924	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M-H"	-1.007276
"524380"	1064.389024	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M-H"	-1.007276
"899995"	354.124824	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-H"	-1.007276
"50722"	726.283471	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M-2H+NH4"	16.019271
"496120"	1081.415571	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M-2H+NH4"	16.019271
"873923"	371.151371	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-2H+NH4"	16.019271
"35263"	731.238866	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M-2H+Na"	20.974666
"477015"	1086.370966	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M-2H+Na"	20.974666
"854813"	376.106766	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-2H+Na"	20.974666
"1623259"	376.106766	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Na-2H"	20.974666
"99788"	372.113163	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M-H+Cl"	33.962126
"539349"	549.679213	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M-H+Cl"	33.962126
"940518"	194.547113	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-H+Cl"	33.962126
"273606"	745.233602	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+Cl"	34.969402
"661653"	1100.365702	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+Cl"	34.969402
"1274421"	390.101502	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Cl"	34.969402
"20989"	747.212806	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M-2H+K"	36.948606
"456659"	1102.344906	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M-2H+K"	36.948606
"834342"	392.080706	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-2H+K"	36.948606
"1555998"	392.080706	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+K-2H"	36.948606
"943152"	400.130294	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-H+HCOOH"	44.998194
"362465"	755.262401	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+HCOOH-H"	44.998201
"349266"	769.278051	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+Hac-H"	59.013851
"1495910"	414.145951	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Hac-H"	59.013851
"971121"	422.112251	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-H+NaCOOH"	66.980151
"122217"	390.101502	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+2Cl"	69.938804
"557769"	567.667552	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+2Cl"	69.938804
"1029847"	212.535452	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2Cl"	69.938804
"1245414"	434.050985	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Br"	78.918885
"1307864"	436.106972	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Cl+HCOOH"	80.974872
"1323170"	458.088929	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Cl+NaCOOH"	102.956829
"915687"	468.117686	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M-H+CF3COOH"	112.985586
"1300420"	504.094364	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Cl+CF3COOH"	148.962264
"1380405"	320.119424	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H-2H2O"	-35.012676
"1392796"	338.1294	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H-H2O"	-17.0027
"285558"	711.271476	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+H"	1.007276
"676522"	1066.403576	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+H"	1.007276
"1363084"	356.139376	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H"	1.007276
"131963"	356.139376	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+2H"	2.014552
"567513"	533.705426	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+2H"	2.014552
"1039590"	178.573326	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2H"	2.014552
"209317"	237.762009333333	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+3H"	3.021828
"648876"	356.139376	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+3H"	3.021828
"1164446"	119.384642666667	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+3H"	3.021828
"433554"	728.298023	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+NH4"	18.033823
"789080"	1083.430123	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+NH4"	18.033823
"1687597"	373.165923	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+NH4"	18.033823
"342078"	364.6526495	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+H+NH4"	19.041099
"730492"	542.2186995	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+H+NH4"	19.041099
"1488691"	187.0865995	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H+NH4"	19.041099
"407380"	733.253418	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+Na"	22.989218
"766195"	1088.385518	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+Na"	22.989218
"1615388"	378.121318	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Na"	22.989218
"325790"	367.130347	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+H+Na"	23.996494
"721124"	544.696397	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+H+Na"	23.996494
"1474583"	189.564297	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H+Na"	23.996494
"1066847"	126.711956666667	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2H+Na"	25.00377
"1271933"	388.165586	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+CH3OH+H"	33.033486
"391476"	749.227358	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+K"	38.963158
"749431"	1104.359458	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+K"	38.963158
"1552575"	394.095258	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+K"	38.963158
"307561"	375.117317	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+H+K"	39.970434
"694515"	552.683367	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+H+K"	39.970434
"1457088"	197.551267	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H+K"	39.970434
"245688"	752.298026	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+ACN+H"	42.033826
"1215116"	397.165926	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+ACN+H"	42.033826
"1202282"	199.086601	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+ACN+2H"	43.041102
"201351"	755.23536	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+2Na-H"	44.97116
"644182"	1110.36746	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+2Na-H"	44.97116
"1146793"	400.10326	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2Na-H"	44.97116
"188261"	378.121318	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+2Na"	45.978436
"627525"	555.687368	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+2Na"	45.978436
"1130922"	200.555268	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2Na"	45.978436
"1413345"	134.039270666667	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H+2Na"	46.985712
"1443632"	402.144846	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H+HCOOH"	47.012746
"232106"	383.15434	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+3H2O+2H"	56.04448
"1522118"	416.19689	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+IsoProp+H"	61.06479
"423143"	386.108288	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+Na+K"	61.952376
"785316"	563.674338	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+Na+K"	61.952376
"1680105"	208.542238	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Na+K"	61.952376
"266266"	774.279968	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+ACN+Na"	64.015768
"1240552"	419.147868	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+ACN+Na"	64.015768
"1727123"	419.171393	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+NH4+HCOOH"	64.039293
"1192111"	141.366584666667	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+3Na"	68.967654
"1660547"	424.126788	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Na+HCOOH"	68.994688
"168501"	787.18324	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+2K-H"	76.91904
"609154"	1142.31534	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+2K-H"	76.91904
"1092572"	432.05114	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2K-H"	76.91904
"156564"	394.095258	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"2M+2K"	77.926316
"588949"	571.661308	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"3M+2K"	77.926316
"1074556"	216.529208	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2K"	77.926316
"1106673"	434.065692	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2K+H"	78.933592
"1346338"	434.153307	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+DMSO+H"	79.021207
"1009400"	438.192476	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2ACN+H"	83.060376
"1528618"	439.186108	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+IsoProp+Na+H"	84.054008
"999445"	219.599876	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+2ACN+2H"	84.067652
"1593947"	440.100728	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+K+HCOOH"	84.968628
"1421795"	470.132238	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+H+CF3COOH"	115.000138
"1152084"	240.113151	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+3ACN+2H"	125.094202
"1700541"	487.158785	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+NH4+CF3COOH"	132.026685
"1640567"	492.11418	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+Na+CF3COOH"	136.98208
"1572208"	508.08812	"C11568"	"(51213-Triaza-indeno12-banthracen-13-yl)-acetic acid ethyl ester"	"C22H17N3O2"	"355.1321"	"M+K+CF3COOH"	152.95602
"808769"	329.1164	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M"	0
"982304"	310.09801	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-H2O-H"	-19.01839
"74919"	218.403657333333	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M-3H"	-3.021828
"512292"	328.109124	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M-3H"	-3.021828
"886813"	108.698190666667	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-3H"	-3.021828
"4293"	328.109124	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M-2H"	-2.014552
"449319"	492.667324	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M-2H"	-2.014552
"822749"	163.550924	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-2H"	-2.014552
"80921"	657.225524	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M-H"	-1.007276
"522667"	986.341924	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M-H"	-1.007276
"901196"	328.109124	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-H"	-1.007276
"52290"	674.252071	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M-2H+NH4"	16.019271
"492220"	1003.368471	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M-2H+NH4"	16.019271
"869289"	345.135671	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-2H+NH4"	16.019271
"37559"	679.207466	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M-2H+Na"	20.974666
"478219"	1008.323866	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M-2H+Na"	20.974666
"856016"	350.091066	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-2H+Na"	20.974666
"1620452"	350.091066	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Na-2H"	20.974666
"98804"	346.097463	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M-H+Cl"	33.962126
"539459"	510.655663	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M-H+Cl"	33.962126
"939534"	181.539263	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-H+Cl"	33.962126
"271164"	693.202202	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+Cl"	34.969402
"663586"	1022.318602	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+Cl"	34.969402
"1274531"	364.085802	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Cl"	34.969402
"20005"	695.181406	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M-2H+K"	36.948606
"456523"	1024.297806	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M-2H+K"	36.948606
"835909"	366.065006	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-2H+K"	36.948606
"1556592"	366.065006	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+K-2H"	36.948606
"943383"	374.114594	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-H+HCOOH"	44.998194
"364398"	703.231001	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+HCOOH-H"	44.998201
"349375"	717.246651	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+Hac-H"	59.013851
"1494075"	388.130251	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Hac-H"	59.013851
"969409"	396.096551	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-H+NaCOOH"	66.980151
"120504"	364.085802	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+2Cl"	69.938804
"554961"	528.644002	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+2Cl"	69.938804
"1027041"	199.527602	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2Cl"	69.938804
"1245524"	408.035285	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Br"	78.918885
"1309431"	410.091272	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Cl+HCOOH"	80.974872
"1321822"	432.073229	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Cl+NaCOOH"	102.956829
"915431"	442.101986	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M-H+CF3COOH"	112.985586
"1299437"	478.078664	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Cl+CF3COOH"	148.962264
"1380151"	294.103724	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H-2H2O"	-35.012676
"1392906"	312.1137	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H-H2O"	-17.0027
"284575"	659.240076	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+H"	1.007276
"676998"	988.356476	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+H"	1.007276
"1363194"	330.123676	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H"	1.007276
"133166"	330.123676	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+2H"	2.014552
"568716"	494.681876	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+2H"	2.014552
"1040429"	165.565476	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2H"	2.014552
"211614"	220.418209333333	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+3H"	3.021828
"650079"	330.123676	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+3H"	3.021828
"1163219"	110.712742666667	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+3H"	3.021828
"431477"	676.266623	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+NH4"	18.033823
"788097"	1005.383023	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+NH4"	18.033823
"1684789"	347.150223	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+NH4"	18.033823
"343646"	338.6369495	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+H+NH4"	19.041099
"731695"	503.1951495	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+H+NH4"	19.041099
"1484422"	174.0787495	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H+NH4"	19.041099
"408178"	681.222018	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+Na"	22.989218
"767397"	1010.338418	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+Na"	22.989218
"1617564"	352.105618	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Na"	22.989218
"329667"	341.114647	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+H+Na"	23.996494
"722088"	505.672847	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+H+Na"	23.996494
"1476396"	176.556447	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H+Na"	23.996494
"1066957"	118.040056666667	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2H+Na"	25.00377
"1272411"	362.149886	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+CH3OH+H"	33.033486
"391828"	697.195958	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+K"	38.963158
"753185"	1026.312358	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+K"	38.963158
"1553777"	368.079558	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+K"	38.963158
"307671"	349.101617	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+H+K"	39.970434
"695717"	513.659817	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+H+K"	39.970434
"1458291"	184.543417	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H+K"	39.970434
"245798"	700.266626	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+ACN+H"	42.033826
"1216319"	371.150226	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+ACN+H"	42.033826
"1202392"	186.078751	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+ACN+2H"	43.041102
"197448"	703.20396	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+2Na-H"	44.97116
"643841"	1032.32036	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+2Na-H"	44.97116
"1146617"	374.08756	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2Na-H"	44.97116
"188083"	352.105618	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+2Na"	45.978436
"625932"	516.663818	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+2Na"	45.978436
"1125787"	187.547418	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2Na"	45.978436
"1410041"	125.367370666667	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H+2Na"	46.985712
"1439240"	376.129146	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H+HCOOH"	47.012746
"225655"	357.13864	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+3H2O+2H"	56.04448
"1519185"	390.18119	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+IsoProp+H"	61.06479
"423254"	360.092588	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+Na+K"	61.952376
"784492"	524.650788	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+Na+K"	61.952376
"1680214"	195.534388	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Na+K"	61.952376
"266374"	722.248568	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+ACN+Na"	64.015768
"1240417"	393.132168	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+ACN+Na"	64.015768
"1726504"	393.155693	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+NH4+HCOOH"	64.039293
"1192100"	132.694684666667	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+3Na"	68.967654
"1662844"	398.111088	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Na+HCOOH"	68.994688
"168611"	735.15184	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+2K-H"	76.91904
"609264"	1064.26824	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+2K-H"	76.91904
"1093775"	406.03544	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2K-H"	76.91904
"154968"	368.079558	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"2M+2K"	77.926316
"589059"	532.637758	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"3M+2K"	77.926316
"1074666"	203.521358	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2K"	77.926316
"1106783"	408.049992	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2K+H"	78.933592
"1346448"	408.137607	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+DMSO+H"	79.021207
"1008417"	412.176776	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2ACN+H"	83.060376
"1528728"	413.170408	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+IsoProp+Na+H"	84.054008
"999555"	206.592026	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+2ACN+2H"	84.067652
"1594057"	414.085028	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+K+HCOOH"	84.968628
"1418625"	444.116538	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+H+CF3COOH"	115.000138
"1152194"	227.105301	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+3ACN+2H"	125.094202
"1700651"	461.143085	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+NH4+CF3COOH"	132.026685
"1640677"	466.09848	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+Na+CF3COOH"	136.98208
"1571954"	482.07242	"C11569"	"22-(1-Phenyl-1H-124-triazole-35-diyl)bis-phenol"	"C20H15N3O2"	"329.1164"	"M+K+CF3COOH"	152.95602
"805599"	276.0124	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M"	0
"984601"	256.99401	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-H2O-H"	-19.01839
"75029"	183.000990666667	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M-3H"	-3.021828
"514589"	275.005124	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M-3H"	-3.021828
"884007"	90.9968573333333	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-3H"	-3.021828
"5494"	275.005124	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M-2H"	-2.014552
"446149"	413.011324	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M-2H"	-2.014552
"820673"	136.998924	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-2H"	-2.014552
"82125"	551.017524	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M-H"	-1.007276
"523507"	827.029924	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M-H"	-1.007276
"898027"	275.005124	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-H"	-1.007276
"49849"	568.044071	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M-2H+NH4"	16.019271
"493059"	844.056471	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M-2H+NH4"	16.019271
"868306"	292.031671	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-2H+NH4"	16.019271
"36940"	572.999466	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M-2H+Na"	20.974666
"480513"	849.011866	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M-2H+Na"	20.974666
"857219"	296.987066	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-2H+Na"	20.974666
"1623837"	296.987066	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Na-2H"	20.974666
"100007"	292.993463	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M-H+Cl"	33.962126
"541755"	430.999663	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M-H+Cl"	33.962126
"931990"	154.987263	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-H+Cl"	33.962126
"270546"	586.994202	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+Cl"	34.969402
"664061"	863.006602	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+Cl"	34.969402
"1273913"	310.981802	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Cl"	34.969402
"16832"	588.973406	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M-2H+K"	36.948606
"457122"	864.985806	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M-2H+K"	36.948606
"837112"	312.961006	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-2H+K"	36.948606
"1556101"	312.961006	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+K-2H"	36.948606
"942884"	321.010594	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-H+HCOOH"	44.998194
"364508"	597.023001	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+HCOOH-H"	44.998201
"349120"	611.038651	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+Hac-H"	59.013851
"1499411"	335.026251	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Hac-H"	59.013851
"961486"	342.992551	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-H+NaCOOH"	66.980151
"122795"	310.981802	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+2Cl"	69.938804
"560905"	448.988002	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+2Cl"	69.938804
"1030068"	172.975602	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2Cl"	69.938804
"1252927"	354.931285	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Br"	78.918885
"1309904"	356.987272	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Cl+HCOOH"	80.974872
"1325213"	378.969229	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Cl+NaCOOH"	102.956829
"920648"	388.997986	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M-H+CF3COOH"	112.985586
"1299547"	424.974664	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Cl+CF3COOH"	148.962264
"1380990"	240.999724	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H-2H2O"	-35.012676
"1393016"	259.0097	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H-H2O"	-17.0027
"288332"	553.032076	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+H"	1.007276
"678931"	829.044476	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+H"	1.007276
"1357109"	277.019676	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H"	1.007276
"132184"	277.019676	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+2H"	2.014552
"568463"	415.025876	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+2H"	2.014552
"1041634"	139.013476	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2H"	2.014552
"210628"	185.015542666667	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+3H"	3.021828
"646909"	277.019676	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+3H"	3.021828
"1165031"	93.0114093333333	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+3H"	3.021828
"430493"	570.058623	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+NH4"	18.033823
"791486"	846.071023	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+NH4"	18.033823
"1684899"	294.046223	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+NH4"	18.033823
"341568"	285.5329495	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+H+NH4"	19.041099
"730711"	423.5391495	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+H+NH4"	19.041099
"1480520"	147.5267495	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H+NH4"	19.041099
"408327"	575.014018	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+Na"	22.989218
"767508"	851.026418	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+Na"	22.989218
"1617794"	299.001618	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Na"	22.989218
"329917"	288.010647	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+H+Na"	23.996494
"722444"	426.016847	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+H+Na"	23.996494
"1474062"	150.004447	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H+Na"	23.996494
"1065119"	100.338723333333	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2H+Na"	25.00377
"1272598"	309.045886	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+CH3OH+H"	33.033486
"392794"	590.987958	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+K"	38.963158
"749651"	867.000358	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+K"	38.963158
"1554616"	314.975558	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+K"	38.963158
"307781"	295.997617	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+H+K"	39.970434
"694733"	434.003817	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+H+K"	39.970434
"1460223"	157.991417	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H+K"	39.970434
"247001"	594.058626	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+ACN+H"	42.033826
"1218615"	318.046226	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+ACN+H"	42.033826
"1205781"	159.526751	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+ACN+2H"	43.041102
"200837"	596.99596	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+2Na-H"	44.97116
"643705"	873.00836	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+2Na-H"	44.97116
"1146687"	320.98356	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2Na-H"	44.97116
"188193"	299.001618	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+2Na"	45.978436
"627012"	437.007818	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+2Na"	45.978436
"1124804"	160.995418	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2Na"	45.978436
"1410515"	107.666037333333	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H+2Na"	46.985712
"1439350"	323.025146	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H+HCOOH"	47.012746
"226858"	304.03464	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+3H2O+2H"	56.04448
"1519295"	337.07719	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+IsoProp+H"	61.06479
"421167"	306.988588	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+Na+K"	61.952376
"783262"	444.994788	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+Na+K"	61.952376
"1678864"	168.982388	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Na+K"	61.952376
"266970"	616.040568	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+ACN+Na"	64.015768
"1238822"	340.028168	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+ACN+Na"	64.015768
"1726978"	340.051693	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+NH4+HCOOH"	64.039293
"1189415"	114.993351333333	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+3Na"	68.967654
"1662954"	345.007088	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Na+HCOOH"	68.994688
"168721"	628.94384	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+2K-H"	76.91904
"611440"	904.95624	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+2K-H"	76.91904
"1093885"	352.93144	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2K-H"	76.91904
"155078"	314.975558	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"2M+2K"	77.926316
"590262"	452.981758	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"3M+2K"	77.926316
"1075869"	176.969358	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2K"	77.926316
"1106893"	354.945992	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2K+H"	78.933592
"1346558"	355.033607	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+DMSO+H"	79.021207
"1009620"	359.072776	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2ACN+H"	83.060376
"1527745"	360.066408	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+IsoProp+Na+H"	84.054008
"999665"	180.040026	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+2ACN+2H"	84.067652
"1594167"	360.981028	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+K+HCOOH"	84.968628
"1418735"	391.012538	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+H+CF3COOH"	115.000138
"1161053"	200.553301	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+3ACN+2H"	125.094202
"1706230"	408.039085	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+NH4+CF3COOH"	132.026685
"1646256"	412.99448	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+Na+CF3COOH"	136.98208
"1581906"	428.96842	"C11570"	"2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-134oxadiazole"	"C13H9ClN2OS"	"276.0124"	"M+K+CF3COOH"	152.95602
"802429"	268.1034	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M"	0
"982522"	249.08501	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-H2O-H"	-19.01839
"74046"	177.728324	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M-3H"	-3.021828
"513606"	267.096124	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M-3H"	-3.021828
"883753"	88.360524	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-3H"	-3.021828
"7792"	267.096124	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M-2H"	-2.014552
"446258"	401.147824	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M-2H"	-2.014552
"826246"	133.044424	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-2H"	-2.014552
"82965"	535.199524	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M-H"	-1.007276
"521429"	803.302924	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M-H"	-1.007276
"898865"	267.096124	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-H"	-1.007276
"49598"	552.226071	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M-2H+NH4"	16.019271
"495356"	820.329471	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M-2H+NH4"	16.019271
"866594"	284.122671	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-2H+NH4"	16.019271
"35593"	557.181466	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M-2H+Na"	20.974666
"479531"	825.284866	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M-2H+Na"	20.974666
"856236"	289.078066	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-2H+Na"	20.974666
"1623586"	289.078066	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Na-2H"	20.974666
"100117"	285.084463	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M-H+Cl"	33.962126
"542959"	419.136163	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M-H+Cl"	33.962126
"929913"	151.032763	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-H+Cl"	33.962126
"270656"	571.176202	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+Cl"	34.969402
"663078"	839.279602	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+Cl"	34.969402
"1274023"	303.072802	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Cl"	34.969402
"16942"	573.155406	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M-2H+K"	36.948606
"457232"	841.258806	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M-2H+K"	36.948606
"835036"	305.052006	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-2H+K"	36.948606
"1555730"	305.052006	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+K-2H"	36.948606
"942820"	313.101594	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-H+HCOOH"	44.998194
"362432"	581.205001	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+HCOOH-H"	44.998201
"348502"	595.220651	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+Hac-H"	59.013851
"1497700"	327.117251	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Hac-H"	59.013851
"965240"	335.083551	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-H+NaCOOH"	66.980151
"111596"	303.072802	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+2Cl"	69.938804
"558091"	437.124502	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+2Cl"	69.938804
"1025432"	169.021102	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2Cl"	69.938804
"1253768"	347.022285	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Br"	78.918885
"1317672"	349.078272	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Cl+HCOOH"	80.974872
"1324960"	371.060229	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Cl+NaCOOH"	102.956829
"918570"	381.088986	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M-H+CF3COOH"	112.985586
"1302941"	417.065664	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Cl+CF3COOH"	148.962264
"1381829"	233.090724	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H-2H2O"	-35.012676
"1393126"	251.1007	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H-H2O"	-17.0027
"288807"	537.214076	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+H"	1.007276
"684145"	805.317476	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+H"	1.007276
"1358312"	269.110676	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H"	1.007276
"133387"	269.110676	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+2H"	2.014552
"568573"	403.162376	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+2H"	2.014552
"1042838"	135.058976	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2H"	2.014552
"210740"	179.742876	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+3H"	3.021828
"647019"	269.110676	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+3H"	3.021828
"1164048"	90.375076	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+3H"	3.021828
"430603"	554.240623	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+NH4"	18.033823
"790503"	822.344023	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+NH4"	18.033823
"1683552"	286.137223	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+NH4"	18.033823
"339493"	277.6239495	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+H+NH4"	19.041099
"729727"	411.6756495	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+H+NH4"	19.041099
"1482453"	143.5722495	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H+NH4"	19.041099
"407342"	559.196018	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+Na"	22.989218
"766524"	827.299418	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+Na"	22.989218
"1614620"	291.092618	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Na"	22.989218
"328301"	280.101647	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+H+Na"	23.996494
"721817"	414.153347	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+H+Na"	23.996494
"1476689"	146.049947	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H+Na"	23.996494
"1067865"	97.70239	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2H+Na"	25.00377
"1270192"	301.136886	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+CH3OH+H"	33.033486
"388766"	575.169958	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+K"	38.963158
"750853"	843.273358	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+K"	38.963158
"1551810"	307.066558	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+K"	38.963158
"305704"	288.088617	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+H+K"	39.970434
"697030"	422.140317	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+H+K"	39.970434
"1456323"	154.036917	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H+K"	39.970434
"243830"	578.240626	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+ACN+H"	42.033826
"1219818"	310.137226	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+ACN+H"	42.033826
"1203702"	155.572251	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+ACN+2H"	43.041102
"195480"	581.17796	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+2Na-H"	44.97116
"644015"	849.28136	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+2Na-H"	44.97116
"1146583"	313.07456	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2Na-H"	44.97116
"188298"	291.092618	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+2Na"	45.978436
"627243"	425.144318	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+2Na"	45.978436
"1121634"	157.040918	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2Na"	45.978436
"1404064"	105.029704	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H+2Na"	46.985712
"1435085"	315.116146	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H+HCOOH"	47.012746
"222593"	296.12564	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+3H2O+2H"	56.04448
"1519405"	329.16819	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+IsoProp+H"	61.06479
"412529"	299.079588	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+Na+K"	61.952376
"783373"	433.131288	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+Na+K"	61.952376
"1677513"	165.027888	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Na+K"	61.952376
"264769"	600.222568	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+ACN+Na"	64.015768
"1238932"	332.119168	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+ACN+Na"	64.015768
"1727452"	332.142693	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+NH4+HCOOH"	64.039293
"1190982"	112.357018	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+3Na"	68.967654
"1663064"	337.098088	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Na+HCOOH"	68.994688
"169923"	613.12584	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+2K-H"	76.91904
"606203"	881.22924	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+2K-H"	76.91904
"1096183"	345.02244	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2K-H"	76.91904
"155188"	307.066558	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"2M+2K"	77.926316
"590374"	441.118258	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"3M+2K"	77.926316
"1075979"	173.014858	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2K"	77.926316
"1110284"	347.036992	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2K+H"	78.933592
"1343388"	347.124607	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+DMSO+H"	79.021207
"1010823"	351.163776	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2ACN+H"	83.060376
"1530041"	352.157408	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+IsoProp+Na+H"	84.054008
"1003790"	176.085526	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+2ACN+2H"	84.067652
"1600838"	353.072028	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+K+HCOOH"	84.968628
"1418846"	383.103538	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+H+CF3COOH"	115.000138
"1161163"	196.598801	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+3ACN+2H"	125.094202
"1706340"	400.130085	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+NH4+CF3COOH"	132.026685
"1646366"	405.08548	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+Na+CF3COOH"	136.98208
"1582016"	421.05942	"C11571"	"2-p-Tolyl-5678-tetrahydrobenzodimidazo21-bthiazole"	"C16H16N2S"	"268.1034"	"M+K+CF3COOH"	152.95602
"805820"	390.1831	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M"	0
"979353"	371.16471	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-H2O-H"	-19.01839
"67594"	259.114790666667	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M-3H"	-3.021828
"509340"	389.175824	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M-3H"	-3.021828
"887142"	129.053757333333	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-3H"	-3.021828
"7902"	389.175824	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M-2H"	-2.014552
"445275"	584.267374	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M-2H"	-2.014552
"820895"	194.084274	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-2H"	-2.014552
"83070"	779.358924	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M-H"	-1.007276
"520204"	1169.542024	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M-H"	-1.007276
"897884"	389.175824	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-H"	-1.007276
"51164"	796.385471	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M-2H+NH4"	16.019271
"493280"	1186.568571	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M-2H+NH4"	16.019271
"865617"	406.202371	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-2H+NH4"	16.019271
"38990"	801.340866	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M-2H+Na"	20.974666
"476363"	1191.523966	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M-2H+Na"	20.974666
"855259"	411.157766	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-2H+Na"	20.974666
"1625887"	411.157766	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Na-2H"	20.974666
"107888"	407.164163	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M-H+Cl"	33.962126
"547810"	602.255713	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M-H+Cl"	33.962126
"933304"	212.072613	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-H+Cl"	33.962126
"270767"	815.335602	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+Cl"	34.969402
"669751"	1205.518702	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+Cl"	34.969402
"1279968"	425.152502	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Cl"	34.969402
"21430"	817.314806	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M-2H+K"	36.948606
"456978"	1207.497906	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M-2H+K"	36.948606
"832865"	427.131706	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-2H+K"	36.948606
"1557174"	427.131706	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+K-2H"	36.948606
"942903"	435.181294	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-H+HCOOH"	44.998194
"365459"	825.364401	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+HCOOH-H"	44.998201
"350435"	839.380051	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+Hac-H"	59.013851
"1494891"	449.196951	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Hac-H"	59.013851
"964261"	457.163251	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-H+NaCOOH"	66.980151
"117546"	425.152502	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+2Cl"	69.938804
"558567"	620.244052	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+2Cl"	69.938804
"1030289"	230.060952	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2Cl"	69.938804
"1255702"	469.101985	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Br"	78.918885
"1316688"	471.157972	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Cl+HCOOH"	80.974872
"1323976"	493.139929	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Cl+NaCOOH"	102.956829
"925251"	503.168686	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M-H+CF3COOH"	112.985586
"1303295"	539.145364	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Cl+CF3COOH"	148.962264
"1376835"	355.170424	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H-2H2O"	-35.012676
"1389962"	373.1804	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H-H2O"	-17.0027
"296209"	781.373476	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+H"	1.007276
"687541"	1171.556576	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+H"	1.007276
"1361702"	391.190376	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H"	1.007276
"136778"	391.190376	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+2H"	2.014552
"568683"	586.281926	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+2H"	2.014552
"1040763"	196.098826	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2H"	2.014552
"207568"	261.129342666667	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+3H"	3.021828
"647129"	391.190376	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+3H"	3.021828
"1165254"	131.068309333333	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+3H"	3.021828
"430713"	798.400023	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+NH4"	18.033823
"794989"	1188.583123	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+NH4"	18.033823
"1688042"	408.216923	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+NH4"	18.033823
"343618"	399.7036495	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+H+NH4"	19.041099
"733120"	594.7951995	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+H+NH4"	19.041099
"1490599"	204.6120995	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H+NH4"	19.041099
"407095"	803.355418	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+Na"	22.989218
"768091"	1193.538518	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+Na"	22.989218
"1616189"	413.172318	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Na"	22.989218
"328049"	402.181347	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+H+Na"	23.996494
"722255"	597.272897	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+H+Na"	23.996494
"1476112"	207.089797	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H+Na"	23.996494
"1066078"	138.395623333333	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2H+Na"	25.00377
"1272540"	423.216586	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+CH3OH+H"	33.033486
"392708"	819.329358	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+K"	38.963158
"751695"	1209.512458	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+K"	38.963158
"1554473"	429.146258	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+K"	38.963158
"305815"	410.168317	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+H+K"	39.970434
"704802"	605.259867	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+H+K"	39.970434
"1456433"	215.076767	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H+K"	39.970434
"245035"	822.400026	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+ACN+H"	42.033826
"1221026"	432.216926	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+ACN+H"	42.033826
"1208193"	216.612101	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+ACN+2H"	43.041102
"204225"	825.33736	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+2Na-H"	44.97116
"644004"	1215.52046	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+2Na-H"	44.97116
"1145964"	435.15426	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2Na-H"	44.97116
"188288"	413.172318	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+2Na"	45.978436
"628519"	608.263868	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+2Na"	45.978436
"1130130"	218.080768	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2Na"	45.978436
"1411465"	145.722937333333	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H+2Na"	46.985712
"1445595"	437.195846	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H+HCOOH"	47.012746
"234738"	418.20534	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+3H2O+2H"	56.04448
"1522435"	451.24789	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+IsoProp+H"	61.06479
"422489"	421.159288	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+Na+K"	61.952376
"785629"	616.250838	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+Na+K"	61.952376
"1681176"	226.067738	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Na+K"	61.952376
"265971"	844.381968	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+ACN+Na"	64.015768
"1240137"	454.198868	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+ACN+Na"	64.015768
"1726834"	454.222393	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+NH4+HCOOH"	64.039293
"1192926"	153.050251333333	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+3Na"	68.967654
"1665369"	459.177788	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Na+HCOOH"	68.994688
"172348"	857.28524	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+2K-H"	76.91904
"608503"	1247.46834	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+2K-H"	76.91904
"1099099"	467.10214	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2K-H"	76.91904
"156882"	429.146258	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"2M+2K"	77.926316
"593765"	624.237808	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"3M+2K"	77.926316
"1081560"	234.054708	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2K"	77.926316
"1110394"	469.116692	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2K+H"	78.933592
"1336812"	469.204307	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+DMSO+H"	79.021207
"1007771"	473.243476	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2ACN+H"	83.060376
"1536724"	474.237108	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+IsoProp+Na+H"	84.054008
"1004990"	237.125376	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+2ACN+2H"	84.067652
"1599858"	475.151728	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+K+HCOOH"	84.968628
"1425517"	505.183238	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+H+CF3COOH"	115.000138
"1162002"	257.638651	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+3ACN+2H"	125.094202
"1706451"	522.209785	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+NH4+CF3COOH"	132.026685
"1644288"	527.16518	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+Na+CF3COOH"	136.98208
"1575565"	543.13912	"C11573"	"68-Di-DMA-chrysin;68-Di-(33-dimethylallyl)chrysin;68-Di-(33-DMA)chrysin"	"C25H26O4"	"390.1831"	"M+K+CF3COOH"	152.95602
"802650"	390.1831	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M"	0
"974723"	371.16471	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H2O-H"	-19.01839
"68798"	259.114790666667	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-3H"	-3.021828
"503985"	389.175824	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-3H"	-3.021828
"882879"	129.053757333333	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-3H"	-3.021828
"1449"	389.175824	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H"	-2.014552
"441377"	584.267374	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H"	-2.014552
"819910"	194.084274	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H"	-2.014552
"82450"	779.358924	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-H"	-1.007276
"523836"	1169.542024	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-H"	-1.007276
"899455"	389.175824	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H"	-1.007276
"51641"	796.385471	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H+NH4"	16.019271
"493389"	1186.568571	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H+NH4"	16.019271
"866820"	406.202371	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H+NH4"	16.019271
"33631"	801.340866	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H+Na"	20.974666
"474283"	1191.523966	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H+Na"	20.974666
"852089"	411.157766	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H+Na"	20.974666
"1624904"	411.157766	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na-2H"	20.974666
"106539"	407.164163	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-H+Cl"	33.962126
"545368"	602.255713	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-H+Cl"	33.962126
"929041"	212.072613	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+Cl"	33.962126
"267309"	815.335602	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Cl"	34.969402
"669861"	1205.518702	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+Cl"	34.969402
"1273678"	425.152502	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl"	34.969402
"17288"	817.314806	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H+K"	36.948606
"455797"	1207.497906	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H+K"	36.948606
"833187"	427.131706	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H+K"	36.948606
"1556919"	427.131706	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K-2H"	36.948606
"944073"	435.181294	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+HCOOH"	44.998194
"367389"	825.364401	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+HCOOH-H"	44.998201
"351273"	839.380051	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Hac-H"	59.013851
"1499012"	449.196951	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Hac-H"	59.013851
"961089"	457.163251	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+NaCOOH"	66.980151
"112916"	425.152502	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2Cl"	69.938804
"555033"	620.244052	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2Cl"	69.938804
"1026382"	230.060952	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2Cl"	69.938804
"1241579"	469.101985	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Br"	78.918885
"1304353"	471.157972	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl+HCOOH"	80.974872
"1320229"	493.139929	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl+NaCOOH"	102.956829
"922081"	503.168686	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+CF3COOH"	112.985586
"1301704"	539.145364	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl+CF3COOH"	148.962264
"1373665"	355.170424	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H-2H2O"	-35.012676
"1387886"	373.1804	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H-H2O"	-17.0027
"293040"	781.373476	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H"	1.007276
"687652"	1171.556576	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H"	1.007276
"1361811"	391.190376	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H"	1.007276
"131420"	391.190376	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2H"	2.014552
"568793"	586.281926	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2H"	2.014552
"1041235"	196.098826	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2H"	2.014552
"206582"	261.129342666667	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+3H"	3.021828
"644926"	391.190376	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+3H"	3.021828
"1166458"	131.068309333333	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+3H"	3.021828
"425476"	798.400023	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+NH4"	18.033823
"787444"	1188.583123	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+NH4"	18.033823
"1687058"	408.216923	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+NH4"	18.033823
"340811"	399.7036495	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H+NH4"	19.041099
"732137"	594.7951995	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H+NH4"	19.041099
"1491678"	204.6120995	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+NH4"	19.041099
"406478"	803.355418	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Na"	22.989218
"767472"	1193.538518	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+Na"	22.989218
"1616300"	413.172318	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na"	22.989218
"328159"	402.181347	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H+Na"	23.996494
"720220"	597.272897	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H+Na"	23.996494
"1475494"	207.089797	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+Na"	23.996494
"1067280"	138.395623333333	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2H+Na"	25.00377
"1270422"	423.216586	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+CH3OH+H"	33.033486
"391543"	819.329358	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+K"	38.963158
"752169"	1209.512458	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+K"	38.963158
"1554097"	429.146258	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K"	38.963158
"304832"	410.168317	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H+K"	39.970434
"703455"	605.259867	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H+K"	39.970434
"1455450"	215.076767	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+K"	39.970434
"241866"	822.400026	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+ACN+H"	42.033826
"1220043"	432.216926	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+ACN+H"	42.033826
"1207939"	216.612101	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+ACN+2H"	43.041102
"204119"	825.33736	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2Na-H"	44.97116
"643542"	1215.52046	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2Na-H"	44.97116
"1144615"	435.15426	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2Na-H"	44.97116
"185718"	413.172318	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2Na"	45.978436
"627343"	608.263868	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2Na"	45.978436
"1127322"	218.080768	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2Na"	45.978436
"1408658"	145.722937333333	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+2Na"	46.985712
"1438586"	437.195846	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+HCOOH"	47.012746
"232657"	418.20534	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+3H2O+2H"	56.04448
"1522178"	451.24789	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+IsoProp+H"	61.06479
"422235"	421.159288	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Na+K"	61.952376
"784932"	616.250838	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+Na+K"	61.952376
"1678468"	226.067738	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na+K"	61.952376
"266810"	844.381968	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+ACN+Na"	64.015768
"1239154"	454.198868	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+ACN+Na"	64.015768
"1726580"	454.222393	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+NH4+HCOOH"	64.039293
"1193639"	153.050251333333	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+3Na"	68.967654
"1664384"	459.177788	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na+HCOOH"	68.994688
"167959"	857.28524	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2K-H"	76.91904
"609706"	1247.46834	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2K-H"	76.91904
"1098237"	467.10214	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2K-H"	76.91904
"155167"	429.146258	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2K"	77.926316
"593633"	624.237808	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2K"	77.926316
"1077295"	234.054708	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2K"	77.926316
"1103942"	469.116692	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2K+H"	78.933592
"1338135"	469.204307	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+DMSO+H"	79.021207
"1008852"	473.243476	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2ACN+H"	83.060376
"1537562"	474.237108	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+IsoProp+Na+H"	84.054008
"996715"	237.125376	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2ACN+2H"	84.067652
"1597782"	475.151728	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K+HCOOH"	84.968628
"1425627"	505.183238	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+CF3COOH"	115.000138
"1161991"	257.638651	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+3ACN+2H"	125.094202
"1706561"	522.209785	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+NH4+CF3COOH"	132.026685
"1641118"	527.16518	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na+CF3COOH"	136.98208
"1575675"	543.13912	"C11574"	"6-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K+CF3COOH"	152.95602
"802760"	390.1831	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M"	0
"976658"	371.16471	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H2O-H"	-19.01839
"65628"	259.114790666667	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-3H"	-3.021828
"506282"	389.175824	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-3H"	-3.021828
"881896"	129.053757333333	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-3H"	-3.021828
"952"	389.175824	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H"	-2.014552
"442216"	584.267374	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H"	-2.014552
"821112"	194.084274	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H"	-2.014552
"82197"	779.358924	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-H"	-1.007276
"522851"	1169.542024	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-H"	-1.007276
"898100"	389.175824	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H"	-1.007276
"51017"	796.385471	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H+NH4"	16.019271
"494588"	1186.568571	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H+NH4"	16.019271
"866930"	406.202371	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H+NH4"	16.019271
"33741"	801.340866	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H+Na"	20.974666
"473300"	1191.523966	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H+Na"	20.974666
"852199"	411.157766	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H+Na"	20.974666
"1619667"	411.157766	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na-2H"	20.974666
"107012"	407.164163	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-H+Cl"	33.962126
"544384"	602.255713	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-H+Cl"	33.962126
"930244"	212.072613	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+Cl"	33.962126
"269894"	815.335602	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Cl"	34.969402
"668878"	1205.518702	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+Cl"	34.969402
"1274112"	425.152502	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl"	34.969402
"17398"	817.314806	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M-2H+K"	36.948606
"456345"	1207.497906	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M-2H+K"	36.948606
"835729"	427.131706	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-2H+K"	36.948606
"1557029"	427.131706	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K-2H"	36.948606
"943940"	435.181294	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+HCOOH"	44.998194
"365312"	825.364401	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+HCOOH-H"	44.998201
"352476"	839.380051	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Hac-H"	59.013851
"1499122"	449.196951	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Hac-H"	59.013851
"960472"	457.163251	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+NaCOOH"	66.980151
"112297"	425.152502	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2Cl"	69.938804
"555871"	620.244052	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2Cl"	69.938804
"1026492"	230.060952	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2Cl"	69.938804
"1241815"	469.101985	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Br"	78.918885
"1305599"	471.157972	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl+HCOOH"	80.974872
"1320545"	493.139929	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl+NaCOOH"	102.956829
"922191"	503.168686	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M-H+CF3COOH"	112.985586
"1302177"	539.145364	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Cl+CF3COOH"	148.962264
"1373045"	355.170424	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H-2H2O"	-35.012676
"1391275"	373.1804	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H-H2O"	-17.0027
"295336"	781.373476	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H"	1.007276
"687762"	1171.556576	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H"	1.007276
"1361921"	391.190376	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H"	1.007276
"131530"	391.190376	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2H"	2.014552
"571090"	586.281926	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2H"	2.014552
"1042075"	196.098826	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2H"	2.014552
"205356"	261.129342666667	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+3H"	3.021828
"645402"	391.190376	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+3H"	3.021828
"1167661"	131.068309333333	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+3H"	3.021828
"425586"	798.400023	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+NH4"	18.033823
"787554"	1188.583123	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+NH4"	18.033823
"1689354"	408.216923	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+NH4"	18.033823
"340920"	399.7036495	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H+NH4"	19.041099
"733340"	594.7951995	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H+NH4"	19.041099
"1489357"	204.6120995	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+NH4"	19.041099
"406586"	803.355418	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Na"	22.989218
"767945"	1193.538518	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+Na"	22.989218
"1613860"	413.172318	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na"	22.989218
"328632"	402.181347	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H+Na"	23.996494
"721301"	597.272897	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H+Na"	23.996494
"1475606"	207.089797	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+Na"	23.996494
"1067634"	138.395623333333	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2H+Na"	25.00377
"1270159"	423.216586	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+CH3OH+H"	33.033486
"392584"	819.329358	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+K"	38.963158
"752281"	1209.512458	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+K"	38.963158
"1552142"	429.146258	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K"	38.963158
"306035"	410.168317	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+H+K"	39.970434
"694084"	605.259867	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+H+K"	39.970434
"1448996"	215.076767	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+K"	39.970434
"240880"	822.400026	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+ACN+H"	42.033826
"1214685"	432.216926	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+ACN+H"	42.033826
"1206222"	216.612101	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+ACN+2H"	43.041102
"202999"	825.33736	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2Na-H"	44.97116
"643532"	1215.52046	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2Na-H"	44.97116
"1145212"	435.15426	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2Na-H"	44.97116
"186920"	413.172318	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2Na"	45.978436
"627088"	608.263868	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2Na"	45.978436
"1124152"	218.080768	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2Na"	45.978436
"1409861"	145.722937333333	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+2Na"	46.985712
"1437603"	437.195846	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+HCOOH"	47.012746
"234953"	418.20534	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+3H2O+2H"	56.04448
"1523624"	451.24789	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+IsoProp+H"	61.06479
"421612"	421.159288	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+Na+K"	61.952376
"784068"	616.250838	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+Na+K"	61.952376
"1679310"	226.067738	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na+K"	61.952376
"264367"	844.381968	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+ACN+Na"	64.015768
"1239628"	454.198868	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+ACN+Na"	64.015768
"1725961"	454.222393	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+NH4+HCOOH"	64.039293
"1191687"	153.050251333333	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+3Na"	68.967654
"1663038"	459.177788	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na+HCOOH"	68.994688
"172078"	857.28524	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2K-H"	76.91904
"610908"	1247.46834	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2K-H"	76.91904
"1097498"	467.10214	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2K-H"	76.91904
"155885"	429.146258	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"2M+2K"	77.926316
"596417"	624.237808	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"3M+2K"	77.926316
"1078498"	234.054708	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2K"	77.926316
"1104052"	469.116692	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2K+H"	78.933592
"1338610"	469.204307	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+DMSO+H"	79.021207
"1008596"	473.243476	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2ACN+H"	83.060376
"1536578"	474.237108	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+IsoProp+Na+H"	84.054008
"1000104"	237.125376	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+2ACN+2H"	84.067652
"1598985"	475.151728	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K+HCOOH"	84.968628
"1427195"	505.183238	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+H+CF3COOH"	115.000138
"1161128"	257.638651	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+3ACN+2H"	125.094202
"1706671"	522.209785	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+NH4+CF3COOH"	132.026685
"1641228"	527.16518	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+Na+CF3COOH"	136.98208
"1573598"	543.13912	"C11575"	"8-Geranylchrysin"	"C25H26O4"	"390.1831"	"M+K+CF3COOH"	152.95602
"802870"	338.1154	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M"	0
"976404"	319.09701	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"66831"	224.402990666667	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"506392"	337.108124	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"883099"	111.697857333333	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"212"	337.108124	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"441233"	506.165824	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"821222"	168.050424	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"83400"	675.223524	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"521868"	1013.338924	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"898939"	337.108124	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"51857"	692.250071	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"492512"	1030.365471	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"865948"	354.134671	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"32758"	697.205466	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"472802"	1035.320866	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"852309"	359.090066	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1620870"	359.090066	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"103842"	355.096463	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"539027"	524.154163	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"929382"	186.038763	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"270004"	711.200202	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"660844"	1049.315602	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1273121"	373.084802	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"15880"	713.179406	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"455967"	1051.294806	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"835838"	375.064006	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1560418"	375.064006	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"943561"	383.113594	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"367609"	721.229001	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"353678"	735.244651	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1496315"	397.129251	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"961311"	405.095551	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"112407"	373.084802	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"551970"	542.142502	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1026237"	204.027102	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1241598"	417.034285	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1305101"	419.090272	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1320287"	441.072229	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"917920"	451.100986	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1290616"	487.077664	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1368533"	303.102724	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1390290"	321.1127	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"287791"	677.238076	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"686778"	1015.353476	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1363125"	339.122676	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"136013"	339.122676	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"575574"	508.180376	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1044372"	170.064976	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"204735"	226.417542666667	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"644901"	339.122676	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1165577"	113.712409333333	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"424476"	694.264623	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"789843"	1032.380023	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1683995"	356.149223	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"333371"	347.6359495	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"724332"	516.6936495	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1490560"	178.5782495	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"404511"	699.220018	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"766963"	1037.335418	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1616155"	361.104618	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"328375"	350.113647	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"722212"	519.171347	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1475948"	181.055947	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1063489"	121.039723333333	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1270633"	371.148886	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"389572"	715.193958	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"753483"	1053.309358	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1554438"	377.078558	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"305051"	358.100617	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"693092"	527.158317	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1450191"	189.042917	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"239885"	718.264626	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1214780"	380.149226	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1196115"	190.578251	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"203718"	721.20196	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"643396"	1059.31736	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1144471"	383.08656	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"182290"	361.104618	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"624037"	530.162318	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1125355"	192.046918	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1406691"	128.367037333333	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1435525"	385.128146	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"231783"	366.13764	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1520939"	399.18019	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"423424"	369.091588	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"784787"	538.149288	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1680150"	200.033888	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"264113"	740.246568	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1240106"	402.131168	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1726436"	402.154693	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1192164"	135.694351333333	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1663875"	407.110088	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"170364"	753.14984	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"611018"	1091.26524	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1098454"	415.03444	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"152347"	377.078558	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"590813"	546.136258	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1078608"	208.020858	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1104162"	417.048992	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1339084"	417.136607	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1009435"	421.175776	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1537050"	422.169408	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"999121"	211.091526	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1598001"	423.084028	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1426940"	453.115538	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1162332"	231.604801	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1706781"	470.142085	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1641338"	475.09748	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1572615"	491.07142	"C11576"	"6-(33-DMA)galangin;6-(33-Dimethylallyl)galangin"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"802980"	284.0685	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M"	0
"976514"	265.05011	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"66941"	188.371724	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"506501"	283.061224	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"884302"	93.682224	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"198"	283.061224	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"444623"	425.095474	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"820238"	141.026974	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"83510"	567.129724	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"525258"	851.198224	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"901966"	283.061224	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"53060"	584.156271	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"493714"	868.224771	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"870432"	300.087771	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"31773"	589.111666	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"471694"	873.180166	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"848588"	305.043166	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1620859"	305.043166	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"103952"	301.049563	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"539137"	443.083813	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"929371"	159.015313	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"270115"	603.106402	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"663629"	887.174902	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1277126"	319.037902	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"17496"	605.085606	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"456360"	889.154106	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"835949"	321.017106	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1562717"	321.017106	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"945133"	329.066694	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"368815"	613.135201	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"352696"	627.150851	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1499342"	343.082351	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"963608"	351.048651	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"113246"	319.037902	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"553174"	461.072152	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1027806"	177.003652	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1241752"	362.987385	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1305820"	365.043372	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1320764"	387.025329	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"916937"	397.054086	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1290727"	433.030764	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1367508"	249.055824	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1390036"	267.0658	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"288994"	569.144276	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"686889"	853.212776	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1363235"	285.075776	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"136123"	285.075776	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"575684"	427.110026	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1044482"	143.041526	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"205210"	190.386276	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"644361"	285.075776	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1163258"	95.696776	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"424505"	586.170823	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"787401"	870.239323	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1681462"	302.102323	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"334213"	293.5890495	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"722874"	435.6232995	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1490670"	151.5547995	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"407171"	591.126218	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"769260"	875.194718	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1618085"	307.057718	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"328849"	296.066747	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"721635"	438.100997	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1476179"	154.032497	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1063598"	103.02409	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1271472"	317.101986	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"391504"	607.100158	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"749216"	891.168658	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1551268"	323.031658	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"306254"	304.053717	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"691748"	446.087967	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1447752"	162.019467	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"238539"	610.170826	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1214162"	326.102326	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1200962"	163.554801	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"203953"	613.10816	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"643141"	897.17666	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1142390"	329.03966	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"187870"	307.057718	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"619772"	449.091968	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1126558"	165.023468	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1406801"	110.351404	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1436728"	331.081246	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"232986"	312.09074	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1521778"	345.13329	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"423415"	315.044688	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"785223"	457.078938	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1680625"	173.010438	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"266412"	632.152768	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1240220"	348.084268	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1727519"	348.107793	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1192637"	117.678718	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1664350"	353.063188	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"170474"	645.05604	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"610764"	929.12454	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1099495"	360.98754	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"152457"	323.031658	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"589830"	465.065908	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1074343"	180.997408	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1101354"	363.002092	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1338100"	363.089707	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1007723"	367.128876	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1529502"	368.122508	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"999231"	184.068076	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1598110"	369.037128	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1425956"	399.068638	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1156244"	204.581351	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1706891"	416.095185	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1642541"	421.05058	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1573818"	437.02452	"C11577"	"3-Methylgalangin;57-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"803090"	352.1311	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M"	0
"976624"	333.11271	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H2O-H"	-19.01839
"65958"	233.746790666667	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-3H"	-3.021828
"507705"	351.123824	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-3H"	-3.021828
"883320"	116.369757333333	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-3H"	-3.021828
"798"	351.123824	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H"	-2.014552
"442545"	527.189374	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H"	-2.014552
"817673"	175.058274	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H"	-2.014552
"79367"	703.254924	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-H"	-1.007276
"522086"	1055.386024	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-H"	-1.007276
"899890"	351.123824	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H"	-1.007276
"49891"	720.281471	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H+NH4"	16.019271
"490545"	1072.412571	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H+NH4"	16.019271
"866169"	368.150371	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H+NH4"	16.019271
"31495"	725.236866	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H+Na"	20.974666
"471849"	1077.367966	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H+Na"	20.974666
"848714"	373.105766	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H+Na"	20.974666
"1618504"	373.105766	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na-2H"	20.974666
"94412"	369.112163	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-H+Cl"	33.962126
"535967"	545.177713	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-H+Cl"	33.962126
"927576"	193.046613	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+Cl"	33.962126
"270224"	739.231602	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Cl"	34.969402
"663739"	1091.362702	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+Cl"	34.969402
"1277236"	387.100502	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl"	34.969402
"17603"	741.210806	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H+K"	36.948606
"457165"	1093.341906	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H+K"	36.948606
"834966"	389.079706	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H+K"	36.948606
"1561733"	389.079706	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K-2H"	36.948606
"944878"	397.129294	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+HCOOH"	44.998194
"368925"	749.260401	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+HCOOH-H"	44.998201
"352806"	763.276051	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Hac-H"	59.013851
"1499452"	411.144951	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Hac-H"	59.013851
"962257"	419.111251	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+NaCOOH"	66.980151
"111533"	387.100502	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2Cl"	69.938804
"556201"	563.166052	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2Cl"	69.938804
"1031927"	211.034952	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2Cl"	69.938804
"1241779"	431.049985	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Br"	78.918885
"1304838"	433.105972	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl+HCOOH"	80.974872
"1321243"	455.087929	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl+NaCOOH"	102.956829
"917047"	465.116686	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+CF3COOH"	112.985586
"1290108"	501.093364	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl+CF3COOH"	148.962264
"1367375"	317.118424	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H-2H2O"	-35.012676
"1393790"	335.1284	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H-H2O"	-17.0027
"289104"	705.269476	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H"	1.007276
"688091"	1057.400576	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H"	1.007276
"1363345"	353.138376	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H"	1.007276
"136233"	353.138376	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2H"	2.014552
"575794"	529.203926	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2H"	2.014552
"1045685"	177.072826	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2H"	2.014552
"205320"	235.761342666667	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+3H"	3.021828
"644998"	353.138376	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+3H"	3.021828
"1163123"	118.384309333333	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+3H"	3.021828
"424940"	722.296023	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+NH4"	18.033823
"789333"	1074.427123	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+NH4"	18.033823
"1681656"	370.164923	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+NH4"	18.033823
"335052"	361.6516495	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H+NH4"	19.041099
"723621"	537.7171995	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H+NH4"	19.041099
"1489322"	185.5860995	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+NH4"	19.041099
"406180"	727.251418	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Na"	22.989218
"768996"	1079.382518	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+Na"	22.989218
"1616006"	375.120318	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na"	22.989218
"325312"	364.129347	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H+Na"	23.996494
"719919"	540.194897	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H+Na"	23.996494
"1476532"	188.063797	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+Na"	23.996494
"1063709"	125.711623333333	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2H+Na"	25.00377
"1271581"	385.164586	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+CH3OH+H"	33.033486
"391614"	743.225358	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+K"	38.963158
"748233"	1095.356458	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+K"	38.963158
"1550285"	391.094258	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K"	38.963158
"304179"	372.116317	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H+K"	39.970434
"691383"	548.181867	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H+K"	39.970434
"1447130"	196.050767	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+K"	39.970434
"237920"	746.296026	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+ACN+H"	42.033826
"1213179"	394.164926	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+ACN+H"	42.033826
"1196699"	197.586101	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+ACN+2H"	43.041102
"190662"	749.23336	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2Na-H"	44.97116
"641543"	1101.36446	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2Na-H"	44.97116
"1145653"	397.10226	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2Na-H"	44.97116
"188141"	375.120318	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2Na"	45.978436
"619882"	551.185868	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2Na"	45.978436
"1126668"	199.054768	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2Na"	45.978436
"1406911"	133.038937333333	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+2Na"	46.985712
"1436838"	399.143846	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+HCOOH"	47.012746
"230910"	380.15334	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+3H2O+2H"	56.04448
"1517879"	413.19589	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+IsoProp+H"	61.06479
"423037"	383.107288	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Na+K"	61.952376
"781843"	559.172838	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+Na+K"	61.952376
"1681025"	207.041738	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na+K"	61.952376
"266278"	768.277968	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+ACN+Na"	64.015768
"1239590"	416.146868	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+ACN+Na"	64.015768
"1724101"	416.170393	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+NH4+HCOOH"	64.039293
"1194151"	140.366251333333	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+3Na"	68.967654
"1664089"	421.125788	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na+HCOOH"	68.994688
"169491"	781.18124	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2K-H"	76.91904
"609051"	1133.31234	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2K-H"	76.91904
"1098307"	429.05014	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2K-H"	76.91904
"150380"	391.094258	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2K"	77.926316
"589940"	567.159808	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2K"	77.926316
"1073360"	215.028708	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2K"	77.926316
"1101099"	431.064692	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2K+H"	78.933592
"1337115"	431.152307	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+DMSO+H"	79.021207
"1006739"	435.191476	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2ACN+H"	83.060376
"1528518"	436.185108	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+IsoProp+Na+H"	84.054008
"999341"	218.099376	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2ACN+2H"	84.067652
"1598220"	437.099728	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K+HCOOH"	84.968628
"1426066"	467.131238	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+CF3COOH"	115.000138
"1153074"	238.612651	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+3ACN+2H"	125.094202
"1707001"	484.157785	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+NH4+CF3COOH"	132.026685
"1642651"	489.11318	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na+CF3COOH"	136.98208
"1573928"	505.08712	"C11578"	"8-(33-Dimethylallyl)-3-methylgalangin;8-(33-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K+CF3COOH"	152.95602
"806480"	352.1311	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M"	0
"980015"	333.11271	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H2O-H"	-19.01839
"69350"	233.746790666667	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-3H"	-3.021828
"506722"	351.123824	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-3H"	-3.021828
"885617"	116.369757333333	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-3H"	-3.021828
"1273"	351.123824	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H"	-2.014552
"441926"	527.189374	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H"	-2.014552
"821553"	175.058274	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H"	-2.014552
"81547"	703.254924	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-H"	-1.007276
"521105"	1055.386024	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-H"	-1.007276
"899998"	351.123824	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H"	-1.007276
"52187"	720.281471	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H+NH4"	16.019271
"496121"	1072.412571	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H+NH4"	16.019271
"870653"	368.150371	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H+NH4"	16.019271
"38555"	725.236866	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H+Na"	20.974666
"480304"	1077.367966	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H+Na"	20.974666
"848787"	373.105766	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H+Na"	20.974666
"1619985"	373.105766	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na-2H"	20.974666
"95542"	369.112163	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-H+Cl"	33.962126
"539357"	545.177713	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-H+Cl"	33.962126
"929591"	193.046613	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+Cl"	33.962126
"273614"	739.231602	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Cl"	34.969402
"663849"	1091.362702	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+Cl"	34.969402
"1283542"	387.100502	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl"	34.969402
"19900"	741.210806	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M-2H+K"	36.948606
"461649"	1093.341906	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M-2H+K"	36.948606
"842731"	389.079706	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-2H+K"	36.948606
"1562939"	389.079706	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K-2H"	36.948606
"953008"	397.129294	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+HCOOH"	44.998194
"372315"	749.260401	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+HCOOH-H"	44.998201
"351094"	763.276051	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Hac-H"	59.013851
"1497011"	411.144951	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Hac-H"	59.013851
"966013"	419.111251	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+NaCOOH"	66.980151
"113099"	387.100502	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2Cl"	69.938804
"558863"	563.166052	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2Cl"	69.938804
"1028026"	211.034952	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2Cl"	69.938804
"1244326"	431.049985	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Br"	78.918885
"1305313"	433.105972	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl+HCOOH"	80.974872
"1325363"	455.087929	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl+NaCOOH"	102.956829
"913140"	465.116686	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M-H+CF3COOH"	112.985586
"1289853"	501.093364	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Cl+CF3COOH"	148.962264
"1368008"	317.118424	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H-2H2O"	-35.012676
"1392807"	335.1284	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H-H2O"	-17.0027
"288121"	705.269476	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H"	1.007276
"687107"	1057.400576	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H"	1.007276
"1363456"	353.138376	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H"	1.007276
"133063"	353.138376	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2H"	2.014552
"575904"	529.203926	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2H"	2.014552
"1042514"	177.072826	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2H"	2.014552
"206524"	235.761342666667	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+3H"	3.021828
"644868"	353.138376	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+3H"	3.021828
"1163842"	118.384309333333	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+3H"	3.021828
"426992"	722.296023	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+NH4"	18.033823
"789078"	1074.427123	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+NH4"	18.033823
"1681567"	370.164923	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+NH4"	18.033823
"334432"	361.6516495	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H+NH4"	19.041099
"725393"	537.7171995	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H+NH4"	19.041099
"1487608"	185.5860995	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+NH4"	19.041099
"407140"	727.251418	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Na"	22.989218
"767891"	1079.382518	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+Na"	22.989218
"1615385"	375.120318	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na"	22.989218
"326514"	364.129347	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H+Na"	23.996494
"721368"	540.194897	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H+Na"	23.996494
"1474939"	188.063797	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+Na"	23.996494
"1064912"	125.711623333333	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2H+Na"	25.00377
"1271207"	385.164586	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+CH3OH+H"	33.033486
"391606"	743.225358	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+K"	38.963158
"751623"	1095.356458	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+K"	38.963158
"1551489"	391.094258	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K"	38.963158
"305383"	372.116317	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+H+K"	39.970434
"693062"	548.181867	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+H+K"	39.970434
"1446148"	196.050767	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+K"	39.970434
"238759"	746.296026	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+ACN+H"	42.033826
"1212926"	394.164926	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+ACN+H"	42.033826
"1196810"	197.586101	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+ACN+2H"	43.041102
"192230"	749.23336	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2Na-H"	44.97116
"631433"	1101.36446	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2Na-H"	44.97116
"1138224"	397.10226	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2Na-H"	44.97116
"186016"	375.120318	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2Na"	45.978436
"619992"	551.185868	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2Na"	45.978436
"1126778"	199.054768	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2Na"	45.978436
"1407021"	133.038937333333	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+2Na"	46.985712
"1438041"	399.143846	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+HCOOH"	47.012746
"229926"	380.15334	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+3H2O+2H"	56.04448
"1515801"	413.19589	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+IsoProp+H"	61.06479
"414391"	383.107288	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+Na+K"	61.952376
"780860"	559.172838	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+Na+K"	61.952376
"1680601"	207.041738	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na+K"	61.952376
"265175"	768.277968	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+ACN+Na"	64.015768
"1239337"	416.146868	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+ACN+Na"	64.015768
"1724211"	416.170393	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+NH4+HCOOH"	64.039293
"1193221"	140.366251333333	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+3Na"	68.967654
"1661287"	421.125788	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na+HCOOH"	68.994688
"169601"	781.18124	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2K-H"	76.91904
"610256"	1133.31234	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2K-H"	76.91904
"1098053"	429.05014	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2K-H"	76.91904
"150490"	391.094258	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"2M+2K"	77.926316
"587863"	567.159808	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"3M+2K"	77.926316
"1073470"	215.028708	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2K"	77.926316
"1103398"	431.064692	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2K+H"	78.933592
"1336502"	431.152307	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+DMSO+H"	79.021207
"1006973"	435.191476	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2ACN+H"	83.060376
"1531908"	436.185108	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+IsoProp+Na+H"	84.054008
"993983"	218.099376	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+2ACN+2H"	84.067652
"1598329"	437.099728	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K+HCOOH"	84.968628
"1426176"	467.131238	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+H+CF3COOH"	115.000138
"1159747"	238.612651	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+3ACN+2H"	125.094202
"1709298"	484.157785	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+NH4+CF3COOH"	132.026685
"1647867"	489.11318	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+Na+CF3COOH"	136.98208
"1582787"	505.08712	"C11579"	"8-(11-Dimethylallyl)-3-methylgalangin;8-(11-DMA)-3-methylgalangin"	"C21H20O5"	"352.1311"	"M+K+CF3COOH"	152.95602
"806590"	368.126	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M"	0
"981215"	349.10761	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-H2O-H"	-19.01839
"69459"	244.410057333333	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M-3H"	-3.021828
"509018"	367.118724	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M-3H"	-3.021828
"886818"	121.701390666667	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-3H"	-3.021828
"4299"	367.118724	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M-2H"	-2.014552
"440453"	551.181724	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M-2H"	-2.014552
"821663"	183.055724	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-2H"	-2.014552
"82750"	735.244724	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M-H"	-1.007276
"523402"	1103.370724	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M-H"	-1.007276
"901203"	367.118724	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-H"	-1.007276
"50838"	752.271271	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M-2H+NH4"	16.019271
"497324"	1120.397271	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M-2H+NH4"	16.019271
"870763"	384.145271	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-2H+NH4"	16.019271
"40852"	757.226666	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M-2H+Na"	20.974666
"480414"	1125.352666	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M-2H+Na"	20.974666
"850562"	389.100666	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-2H+Na"	20.974666
"1620095"	389.100666	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Na-2H"	20.974666
"94921"	385.107063	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M-H+Cl"	33.962126
"535006"	569.170063	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M-H+Cl"	33.962126
"929699"	201.044063	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-H+Cl"	33.962126
"273725"	771.221402	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+Cl"	34.969402
"660917"	1139.347402	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+Cl"	34.969402
"1273806"	403.095402	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Cl"	34.969402
"18916"	773.200606	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M-2H+K"	36.948606
"457139"	1141.326606	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M-2H+K"	36.948606
"837373"	405.074606	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-2H+K"	36.948606
"1563049"	405.074606	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+K-2H"	36.948606
"952024"	413.124194	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-H+HCOOH"	44.998194
"368051"	781.250201	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+HCOOH-H"	44.998201
"350111"	795.265851	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+Hac-H"	59.013851
"1496756"	427.139851	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Hac-H"	59.013851
"965030"	435.106151	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-H+NaCOOH"	66.980151
"112480"	403.095402	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+2Cl"	69.938804
"558973"	587.158402	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+2Cl"	69.938804
"1027772"	219.032402	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2Cl"	69.938804
"1250631"	447.044885	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Br"	78.918885
"1306518"	449.100872	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Cl+HCOOH"	80.974872
"1325474"	471.082829	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Cl+NaCOOH"	102.956829
"912158"	481.111586	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M-H+CF3COOH"	112.985586
"1288625"	517.088264	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Cl+CF3COOH"	148.962264
"1367755"	333.113324	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H-2H2O"	-35.012676
"1394010"	351.1233	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H-H2O"	-17.0027
"288231"	737.259276	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+H"	1.007276
"687217"	1105.385276	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+H"	1.007276
"1364660"	369.133276	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H"	1.007276
"129893"	369.133276	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+2H"	2.014552
"577107"	553.196276	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+2H"	2.014552
"1042624"	185.070276	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2H"	2.014552
"205299"	246.424609333333	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+3H"	3.021828
"646800"	369.133276	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+3H"	3.021828
"1164560"	123.715942666667	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+3H"	3.021828
"427466"	754.285823	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+NH4"	18.033823
"787732"	1122.411823	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+NH4"	18.033823
"1683339"	386.159823	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+NH4"	18.033823
"336001"	377.6465495	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+H+NH4"	19.041099
"725503"	561.7095495	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+H+NH4"	19.041099
"1488811"	193.5835495	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H+NH4"	19.041099
"405305"	759.241218	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+Na"	22.989218
"769094"	1127.367218	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+Na"	22.989218
"1613309"	391.115218	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Na"	22.989218
"328934"	380.124247	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+H+Na"	23.996494
"720016"	564.187247	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+H+Na"	23.996494
"1475781"	196.061247	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H+Na"	23.996494
"1065387"	131.043256666667	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2H+Na"	25.00377
"1272048"	401.159486	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+CH3OH+H"	33.033486
"392078"	775.215158	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+K"	38.963158
"753760"	1143.341158	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+K"	38.963158
"1554879"	407.089158	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+K"	38.963158
"306587"	388.111217	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+H+K"	39.970434
"696820"	572.174217	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+H+K"	39.970434
"1446992"	204.048217	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H+K"	39.970434
"236685"	778.285826	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+ACN+H"	42.033826
"1211580"	410.159826	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+ACN+H"	42.033826
"1196192"	205.583551	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+ACN+2H"	43.041102
"193433"	781.22316	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+2Na-H"	44.97116
"632636"	1149.34916	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+2Na-H"	44.97116
"1133953"	413.09716	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2Na-H"	44.97116
"176156"	391.115218	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+2Na"	45.978436
"620102"	575.178218	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+2Na"	45.978436
"1126888"	207.052218	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2Na"	45.978436
"1407131"	138.370570666667	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H+2Na"	46.985712
"1435965"	415.138746	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H+HCOOH"	47.012746
"231130"	396.14824	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+3H2O+2H"	56.04448
"1518098"	429.19079	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+IsoProp+H"	61.06479
"411222"	399.102188	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+Na+K"	61.952376
"782063"	583.165188	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+Na+K"	61.952376
"1680953"	215.039188	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Na+K"	61.952376
"265768"	800.267768	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+ACN+Na"	64.015768
"1239810"	432.141768	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+ACN+Na"	64.015768
"1724321"	432.165293	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+NH4+HCOOH"	64.039293
"1193211"	145.697884666667	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+3Na"	68.967654
"1663583"	437.120688	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Na+HCOOH"	68.994688
"169711"	813.17104	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+2K-H"	76.91904
"609638"	1181.29704	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+2K-H"	76.91904
"1097433"	445.04504	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2K-H"	76.91904
"150600"	407.089158	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"2M+2K"	77.926316
"587973"	591.152158	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"3M+2K"	77.926316
"1072487"	223.026158	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2K"	77.926316
"1101321"	447.059592	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2K+H"	78.933592
"1336244"	447.147207	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+DMSO+H"	79.021207
"1006962"	451.186376	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2ACN+H"	83.060376
"1530925"	452.180008	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+IsoProp+Na+H"	84.054008
"994093"	226.096826	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+2ACN+2H"	84.067652
"1597346"	453.094628	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+K+HCOOH"	84.968628
"1420818"	483.126138	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+H+CF3COOH"	115.000138
"1162288"	246.610101	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+3ACN+2H"	125.094202
"1709408"	500.152685	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+NH4+CF3COOH"	132.026685
"1647977"	505.10808	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+Na+CF3COOH"	136.98208
"1582897"	521.08202	"C11580"	"8-(11-DMA)kaempferide;8-(11-Dimethylallyl)kaempferide"	"C21H20O6"	"368.126"	"M+K+CF3COOH"	152.95602
"813261"	338.1154	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M"	0
"983513"	319.09701	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"66290"	224.402990666667	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"510221"	337.108124	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"890208"	111.697857333333	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"12063"	337.108124	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"441782"	506.165824	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"828334"	168.050424	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"83952"	675.223524	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"523511"	1013.338924	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"899490"	337.108124	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"53500"	692.250071	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"491237"	1030.365471	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"873061"	354.134671	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"36587"	697.205466	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"477243"	1035.320866	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"850793"	359.090066	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1620326"	359.090066	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"95517"	355.096463	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"535441"	524.154163	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"934182"	186.038763	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"269819"	711.200202	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"661270"	1049.315602	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1274522"	373.084802	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"17445"	713.179406	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"457858"	1051.294806	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"837483"	375.064006	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1559877"	375.064006	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"953227"	383.113594	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"369253"	721.229001	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"349491"	735.244651	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1496866"	397.129251	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"966233"	405.095551	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"113684"	373.084802	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"559083"	542.142502	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1027882"	204.027102	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1247461"	417.034285	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1306993"	419.090272	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1322668"	441.072229	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"911822"	451.100986	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1288980"	487.077664	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1368595"	303.102724	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1393027"	321.1127	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"294901"	677.238076	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"689515"	1015.353476	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1363677"	339.122676	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"132190"	339.122676	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"576125"	508.180376	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1043828"	170.064976	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"208447"	226.417542666667	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"648003"	339.122676	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1167221"	113.712409333333	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"426118"	694.264623	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"789665"	1032.380023	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1685630"	356.149223	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"334288"	347.6359495	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"725248"	516.6936495	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1489650"	178.5782495	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"405412"	699.220018	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"765311"	1037.335418	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1615604"	361.104618	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"328920"	350.113647	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"720248"	519.171347	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1476254"	181.055947	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1068091"	121.039723333333	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1272036"	371.148886	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"392704"	715.193958	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"753667"	1053.309358	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1553895"	377.078558	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"311070"	358.100617	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"699117"	527.158317	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1448562"	189.042917	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"237888"	718.264626	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1214241"	380.149226	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1197032"	190.578251	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"193180"	721.20196	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"634933"	1059.31736	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1135157"	383.08656	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"178448"	361.104618	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"622399"	530.162318	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1129186"	192.046918	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1407241"	128.367037333333	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1436075"	385.128146	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"231240"	366.13764	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1518208"	399.18019	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"413519"	369.091588	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"782173"	538.149288	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1680699"	200.033888	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"265878"	740.246568	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1239556"	402.131168	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1723338"	402.154693	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1193320"	135.694351333333	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1662965"	407.110088	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"171159"	753.14984	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"610111"	1091.26524	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1096815"	415.03444	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"150710"	377.078558	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"588083"	546.136258	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1072597"	208.020858	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1101673"	417.048992	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1337815"	417.136607	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1007435"	421.175776	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1531035"	422.169408	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"994203"	211.091526	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1595269"	423.084028	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1420928"	453.115538	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1159965"	231.604801	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1708425"	470.142085	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1648087"	475.09748	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1583007"	491.07142	"C11581"	"8-(11-Dimethylallyl)galangin;8-(11-DMA)galangin"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"805716"	178.0065	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M"	0
"983623"	158.98811	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-H2O-H"	-19.01839
"69679"	117.663724	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M-3H"	-3.021828
"511425"	176.999224	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M-3H"	-3.021828
"885945"	58.328224	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-3H"	-3.021828
"8893"	176.999224	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M-2H"	-2.014552
"442985"	266.002474	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M-2H"	-2.014552
"825164"	87.995974	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-2H"	-2.014552
"85156"	355.005724	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M-H"	-1.007276
"520342"	533.012224	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M-H"	-1.007276
"896684"	176.999224	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-H"	-1.007276
"50331"	372.032271	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M-2H+NH4"	16.019271
"488067"	550.038771	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M-2H+NH4"	16.019271
"870983"	194.025771	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-2H+NH4"	16.019271
"36697"	376.987666	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M-2H+Na"	20.974666
"480632"	554.994166	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M-2H+Na"	20.974666
"854062"	198.981166	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-2H+Na"	20.974666
"1624690"	198.981166	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Na-2H"	20.974666
"99031"	194.987563	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M-H+Cl"	33.962126
"539685"	283.990813	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M-H+Cl"	33.962126
"934292"	105.984313	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-H+Cl"	33.962126
"269199"	390.982402	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+Cl"	34.969402
"661378"	568.988902	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+Cl"	34.969402
"1273538"	212.975902	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Cl"	34.969402
"16823"	392.961606	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M-2H+K"	36.948606
"456872"	570.968106	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M-2H+K"	36.948606
"837593"	214.955106	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-2H+K"	36.948606
"1561080"	214.955106	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+K-2H"	36.948606
"953337"	223.004694	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-H+HCOOH"	44.998194
"369363"	401.011201	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+HCOOH-H"	44.998201
"349237"	415.026851	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+Hac-H"	59.013851
"1496976"	237.020351	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Hac-H"	59.013851
"966342"	244.986651	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-H+NaCOOH"	66.980151
"113063"	212.975902	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+2Cl"	69.938804
"552629"	301.979152	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+2Cl"	69.938804
"1025802"	123.972652	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2Cl"	69.938804
"1246839"	256.925385	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Br"	78.918885
"1307103"	258.981372	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Cl+HCOOH"	80.974872
"1322776"	280.963329	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Cl+NaCOOH"	102.956829
"913470"	290.992086	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M-H+CF3COOH"	112.985586
"1291279"	326.968764	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Cl+CF3COOH"	148.962264
"1368710"	142.993824	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H-2H2O"	-35.012676
"1385481"	161.0038	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H-H2O"	-17.0027
"295011"	357.020276	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+H"	1.007276
"689625"	535.026776	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+H"	1.007276
"1363787"	179.013776	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H"	1.007276
"130114"	179.013776	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+2H"	2.014552
"578422"	268.017026	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+2H"	2.014552
"1042845"	90.010526	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2H"	2.014552
"207464"	119.678276	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+3H"	3.021828
"648114"	179.013776	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+3H"	3.021828
"1166238"	60.342776	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+3H"	3.021828
"428418"	374.046823	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+NH4"	18.033823
"791599"	552.053323	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+NH4"	18.033823
"1684646"	196.040323	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+NH4"	18.033823
"334762"	187.5270495	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+H+NH4"	19.041099
"727544"	276.5302995	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+H+NH4"	19.041099
"1485751"	98.5237995	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H+NH4"	19.041099
"402241"	379.002218	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+Na"	22.989218
"762141"	557.008718	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+Na"	22.989218
"1612427"	200.995718	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Na"	22.989218
"323557"	190.004747	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+H+Na"	23.996494
"721091"	279.007997	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+H+Na"	23.996494
"1471993"	101.001497	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H+Na"	23.996494
"1064148"	67.67009	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2H+Na"	25.00377
"1270929"	211.039986	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+CH3OH+H"	33.033486
"389867"	394.976158	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+K"	38.963158
"751224"	572.982658	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+K"	38.963158
"1554740"	216.969658	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+K"	38.963158
"305714"	197.991717	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+H+K"	39.970434
"700321"	286.994967	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+H+K"	39.970434
"1446607"	108.988467	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H+K"	39.970434
"238366"	398.046826	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+ACN+H"	42.033826
"1211800"	220.040326	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+ACN+H"	42.033826
"1195077"	110.523801	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+ACN+2H"	43.041102
"190376"	400.98416	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+2Na-H"	44.97116
"632856"	578.99066	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+2Na-H"	44.97116
"1134175"	222.97766	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2Na-H"	44.97116
"182935"	200.995718	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+2Na"	45.978436
"620315"	289.998968	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+2Na"	45.978436
"1127104"	111.992468	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2Na"	45.978436
"1404067"	74.997404	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H+2Na"	46.985712
"1437278"	225.019246	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H+HCOOH"	47.012746
"224784"	206.02874	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+3H2O+2H"	56.04448
"1517226"	239.07129	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+IsoProp+H"	61.06479
"420195"	208.982688	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+Na+K"	61.952376
"780097"	297.985938	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+Na+K"	61.952376
"1680811"	119.979438	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Na+K"	61.952376
"266241"	420.028768	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+ACN+Na"	64.015768
"1240648"	242.022268	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+ACN+Na"	64.015768
"1727473"	242.045793	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+NH4+HCOOH"	64.039293
"1192822"	82.324718	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+3Na"	68.967654
"1663442"	247.001188	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Na+HCOOH"	68.994688
"171398"	432.93204	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+2K-H"	76.91904
"610591"	610.93854	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+2K-H"	76.91904
"1096926"	254.92554	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2K-H"	76.91904
"153375"	216.969658	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"2M+2K"	77.926316
"592570"	305.972908	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"3M+2K"	77.926316
"1075987"	127.966408	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2K"	77.926316
"1104823"	256.940092	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2K+H"	78.933592
"1341208"	257.027707	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+DMSO+H"	79.021207
"1008644"	261.066876	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2ACN+H"	83.060376
"1532241"	262.060508	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+IsoProp+Na+H"	84.054008
"994313"	131.037076	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+2ACN+2H"	84.067652
"1595380"	262.975128	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+K+HCOOH"	84.968628
"1421038"	293.006638	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+H+CF3COOH"	115.000138
"1160075"	151.550351	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+3ACN+2H"	125.094202
"1709629"	310.033185	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+NH4+CF3COOH"	132.026685
"1647468"	314.98858	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+Na+CF3COOH"	136.98208
"1583117"	330.96252	"C11582"	"2-Chlorophenylhydrazine hydrochloride;o-Chlorophenylhydrazine hydrochloride"	"C6H7ClN2HCl"	"178.0065"	"M+K+CF3COOH"	152.95602
"803640"	565.093	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M"	0
"983733"	546.07461	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-H2O-H"	-19.01839
"76349"	375.721390666667	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M-3H"	-3.021828
"511535"	564.085724	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M-3H"	-3.021828
"882775"	187.357057333333	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-3H"	-3.021828
"6816"	564.085724	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M-2H"	-2.014552
"441150"	846.632224	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M-2H"	-2.014552
"825274"	281.539224	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-2H"	-2.014552
"84173"	1129.178724	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M-H"	-1.007276
"523732"	1694.271724	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M-H"	-1.007276
"896305"	564.085724	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-H"	-1.007276
"49348"	1146.205271	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M-2H+NH4"	16.019271
"489999"	1711.298271	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M-2H+NH4"	16.019271
"872186"	581.112271	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-2H+NH4"	16.019271
"42640"	1151.160666	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M-2H+Na"	20.974666
"481833"	1716.253666	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M-2H+Na"	20.974666
"849431"	586.067666	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-2H+Na"	20.974666
"1621520"	586.067666	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Na-2H"	20.974666
"95861"	582.074063	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M-H+Cl"	33.962126
"538702"	864.620563	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M-H+Cl"	33.962126
"929299"	299.527563	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-H+Cl"	33.962126
"267974"	1165.155402	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+Cl"	34.969402
"661368"	1730.248402	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+Cl"	34.969402
"1273648"	600.062402	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Cl"	34.969402
"16084"	1167.134606	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M-2H+K"	36.948606
"457344"	1732.227606	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M-2H+K"	36.948606
"833933"	602.041606	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-2H+K"	36.948606
"1560097"	602.041606	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+K-2H"	36.948606
"949072"	610.091194	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-H+HCOOH"	44.998194
"368380"	1175.184201	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+HCOOH-H"	44.998201
"349348"	1189.199851	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+Hac-H"	59.013851
"1497086"	624.106851	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Hac-H"	59.013851
"967546"	632.073151	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-H+NaCOOH"	66.980151
"113171"	600.062402	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+2Cl"	69.938804
"550549"	882.608902	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+2Cl"	69.938804
"1026276"	317.515902	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2Cl"	69.938804
"1242208"	644.011885	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Br"	78.918885
"1305755"	646.067872	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Cl+HCOOH"	80.974872
"1321790"	668.049829	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Cl+NaCOOH"	102.956829
"912849"	678.078586	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M-H+CF3COOH"	112.985586
"1291390"	714.055264	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Cl+CF3COOH"	148.962264
"1368092"	530.080324	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H-2H2O"	-35.012676
"1385591"	548.0903	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H-H2O"	-17.0027
"295121"	1131.193276	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+H"	1.007276
"690707"	1696.286276	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+H"	1.007276
"1366955"	566.100276	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H"	1.007276
"131317"	566.100276	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+2H"	2.014552
"577438"	848.646776	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+2H"	2.014552
"1041862"	283.553776	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2H"	2.014552
"206480"	377.735942666667	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+3H"	3.021828
"648225"	566.100276	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+3H"	3.021828
"1167441"	189.371609333333	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+3H"	3.021828
"428528"	1148.219823	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+NH4"	18.033823
"788428"	1713.312823	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+NH4"	18.033823
"1682569"	583.126823	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+NH4"	18.033823
"335237"	574.6135495	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+H+NH4"	19.041099
"729841"	857.1600495	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+H+NH4"	19.041099
"1486953"	292.0670495	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H+NH4"	19.041099
"404537"	1153.175218	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+Na"	22.989218
"763344"	1718.268218	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+Na"	22.989218
"1615816"	588.082218	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Na"	22.989218
"326946"	577.091247	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+H+Na"	23.996494
"721445"	859.637747	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+H+Na"	23.996494
"1476111"	294.544747	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H+Na"	23.996494
"1067537"	196.698923333333	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2H+Na"	25.00377
"1271403"	598.126486	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+CH3OH+H"	33.033486
"392489"	1169.149158	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+K"	38.963158
"751334"	1734.242158	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+K"	38.963158
"1555216"	604.056158	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+K"	38.963158
"305824"	585.078217	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+H+K"	39.970434
"700431"	867.624717	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+H+K"	39.970434
"1449875"	302.531717	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H+K"	39.970434
"241755"	1172.219826	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+ACN+H"	42.033826
"1212275"	607.126826	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+ACN+H"	42.033826
"1194456"	304.067051	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+ACN+2H"	43.041102
"188865"	1175.15716	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+2Na-H"	44.97116
"632966"	1740.25016	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+2Na-H"	44.97116
"1134285"	610.06416	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2Na-H"	44.97116
"183773"	588.082218	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+2Na"	45.978436
"622608"	870.628718	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+2Na"	45.978436
"1127214"	305.535718	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2Na"	45.978436
"1404177"	204.026237333333	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H+2Na"	46.985712
"1436296"	612.105746	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H+HCOOH"	47.012746
"224895"	593.11524	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+3H2O+2H"	56.04448
"1517336"	626.15779	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+IsoProp+H"	61.06479
"423220"	596.069188	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+Na+K"	61.952376
"782393"	878.615688	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+Na+K"	61.952376
"1681091"	313.522688	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Na+K"	61.952376
"266995"	1194.201768	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+ACN+Na"	64.015768
"1241321"	629.108768	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+ACN+Na"	64.015768
"1727821"	629.132293	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+NH4+HCOOH"	64.039293
"1193421"	211.353551333333	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+3Na"	68.967654
"1664645"	634.087688	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Na+HCOOH"	68.994688
"172236"	1207.10504	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+2K-H"	76.91904
"610701"	1772.19804	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+2K-H"	76.91904
"1094118"	642.01204	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2K-H"	76.91904
"150933"	604.056158	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"2M+2K"	77.926316
"588307"	886.602658	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"3M+2K"	77.926316
"1076097"	321.509658	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2K"	77.926316
"1102746"	644.026592	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2K+H"	78.933592
"1341318"	644.114207	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+DMSO+H"	79.021207
"1008753"	648.153376	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2ACN+H"	83.060376
"1534538"	649.147008	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+IsoProp+Na+H"	84.054008
"996610"	324.580326	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+2ACN+2H"	84.067652
"1596583"	650.061628	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+K+HCOOH"	84.968628
"1421148"	680.093138	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+H+CF3COOH"	115.000138
"1160185"	345.093601	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+3ACN+2H"	125.094202
"1709739"	697.119685	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+NH4+CF3COOH"	132.026685
"1648671"	702.07508	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+Na+CF3COOH"	136.98208
"1583227"	718.04902	"C11583"	"4-Glutathionyl cyclophosphamide"	"C17H30Cl2N5O8PS"	"565.093"	"M+K+CF3COOH"	152.95602
"803750"	352.0794	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M"	0
"983843"	333.06101	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-H2O-H"	-19.01839
"77636"	233.712324	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M-3H"	-3.021828
"516020"	351.072124	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M-3H"	-3.021828
"889446"	116.352524	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-3H"	-3.021828
"9113"	351.072124	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M-2H"	-2.014552
"445392"	527.111824	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M-2H"	-2.014552
"825384"	175.032424	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-2H"	-2.014552
"82096"	703.151524	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M-H"	-1.007276
"522749"	1055.230924	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M-H"	-1.007276
"902737"	351.072124	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-H"	-1.007276
"54925"	720.178071	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M-2H+NH4"	16.019271
"491203"	1072.257471	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M-2H+NH4"	16.019271
"867923"	368.098671	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-2H+NH4"	16.019271
"40198"	725.133466	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M-2H+Na"	20.974666
"477570"	1077.212866	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M-2H+Na"	20.974666
"849906"	373.054066	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-2H+Na"	20.974666
"1622723"	373.054066	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Na-2H"	20.974666
"99250"	369.060463	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M-H+Cl"	33.962126
"536626"	545.100163	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M-H+Cl"	33.962126
"928315"	193.020763	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-H+Cl"	33.962126
"267164"	739.128202	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+Cl"	34.969402
"660341"	1091.207602	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+Cl"	34.969402
"1272907"	387.048802	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Cl"	34.969402
"15905"	741.107406	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M-2H+K"	36.948606
"455842"	1093.186806	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M-2H+K"	36.948606
"833801"	389.028006	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-2H+K"	36.948606
"1559478"	389.028006	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+K-2H"	36.948606
"945173"	397.077594	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-H+HCOOH"	44.998194
"366305"	749.157001	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+HCOOH-H"	44.998201
"346664"	763.172651	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+Hac-H"	59.013851
"1496103"	411.093251	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Hac-H"	59.013851
"966564"	419.059551	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-H+NaCOOH"	66.980151
"114743"	387.048802	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+2Cl"	69.938804
"551022"	563.088502	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+2Cl"	69.938804
"1026386"	211.009102	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2Cl"	69.938804
"1241417"	430.998285	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Br"	78.918885
"1312426"	433.054272	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Cl+HCOOH"	80.974872
"1321902"	455.036229	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Cl+NaCOOH"	102.956829
"912959"	465.064986	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M-H+CF3COOH"	112.985586
"1289674"	501.041664	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Cl+CF3COOH"	148.962264
"1369295"	317.066724	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H-2H2O"	-35.012676
"1385699"	335.0767	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H-H2O"	-17.0027
"286482"	705.166076	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+H"	1.007276
"678903"	1057.245476	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+H"	1.007276
"1358539"	353.086676	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H"	1.007276
"129240"	353.086676	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+2H"	2.014552
"570985"	529.126376	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+2H"	2.014552
"1043064"	177.046976	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2H"	2.014552
"204644"	235.726876	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+3H"	3.021828
"644684"	353.086676	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+3H"	3.021828
"1164271"	118.367076	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+3H"	3.021828
"425110"	722.192623	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+NH4"	18.033823
"786024"	1074.272023	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+NH4"	18.033823
"1682921"	370.113223	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+NH4"	18.033823
"333159"	361.5999495	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+H+NH4"	19.041099
"728858"	537.6396495	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+H+NH4"	19.041099
"1487062"	185.5602495	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H+NH4"	19.041099
"404647"	727.148018	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+Na"	22.989218
"762361"	1079.227418	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+Na"	22.989218
"1614833"	375.068618	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Na"	22.989218
"324869"	364.077647	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+H+Na"	23.996494
"719489"	540.117347	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+H+Na"	23.996494
"1475856"	188.037947	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H+Na"	23.996494
"1064372"	125.69439	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2H+Na"	25.00377
"1269691"	385.112886	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+CH3OH+H"	33.033486
"390820"	743.121958	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+K"	38.963158
"751080"	1095.201358	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+K"	38.963158
"1546572"	391.042558	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+K"	38.963158
"307027"	372.064617	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+H+K"	39.970434
"696167"	548.104317	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+H+K"	39.970434
"1447797"	196.024917	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H+K"	39.970434
"237491"	746.192626	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+ACN+H"	42.033826
"1212017"	394.113226	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+ACN+H"	42.033826
"1199543"	197.560251	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+ACN+2H"	43.041102
"195693"	749.12996	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+2Na-H"	44.97116
"630889"	1101.20936	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+2Na-H"	44.97116
"1134394"	397.05056	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2Na-H"	44.97116
"182060"	375.068618	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+2Na"	45.978436
"621624"	551.108318	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+2Na"	45.978436
"1124044"	199.028918	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2Na"	45.978436
"1401007"	133.021704	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H+2Na"	46.985712
"1436406"	399.092146	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H+HCOOH"	47.012746
"223912"	380.10164	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+3H2O+2H"	56.04448
"1514164"	413.14419	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+IsoProp+H"	61.06479
"422966"	383.055588	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+Na+K"	61.952376
"782503"	559.095288	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+Na+K"	61.952376
"1681268"	207.015888	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Na+K"	61.952376
"266453"	768.174568	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+ACN+Na"	64.015768
"1241150"	416.095168	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+ACN+Na"	64.015768
"1727686"	416.118693	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+NH4+HCOOH"	64.039293
"1194099"	140.349018	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+3Na"	68.967654
"1664755"	421.074088	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Na+HCOOH"	68.994688
"171617"	781.07784	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+2K-H"	76.91904
"609718"	1133.15724	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+2K-H"	76.91904
"1094225"	428.99844	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2K-H"	76.91904
"145573"	391.042558	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"2M+2K"	77.926316
"589509"	567.082258	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"3M+2K"	77.926316
"1071102"	215.002858	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2K"	77.926316
"1102856"	431.012992	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2K+H"	78.933592
"1341428"	431.100607	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+DMSO+H"	79.021207
"1009956"	435.139776	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2ACN+H"	83.060376
"1531368"	436.133408	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+IsoProp+Na+H"	84.054008
"994533"	218.073526	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+2ACN+2H"	84.067652
"1593413"	437.048028	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+K+HCOOH"	84.968628
"1422352"	467.079538	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+H+CF3COOH"	115.000138
"1159202"	238.586801	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+3ACN+2H"	125.094202
"1708756"	484.106085	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+NH4+CF3COOH"	132.026685
"1648780"	489.06148	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+Na+CF3COOH"	136.98208
"1583337"	505.03542	"C11584"	"4-Methylumbelliferone glucuronide;4-Methylumbelliferyl glucuronide"	"C16H16O9"	"352.0794"	"M+K+CF3COOH"	152.95602
"806046"	256.0042	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M"	0
"983953"	236.98581	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-H2O-H"	-19.01839
"77663"	169.662190666667	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M-3H"	-3.021828
"515037"	254.996924	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M-3H"	-3.021828
"888462"	84.3274573333333	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-3H"	-3.021828
"7036"	254.996924	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M-2H"	-2.014552
"444409"	382.999024	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M-2H"	-2.014552
"824402"	126.994824	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-2H"	-2.014552
"80261"	511.001124	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M-H"	-1.007276
"521036"	767.005324	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M-H"	-1.007276
"899567"	254.996924	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-H"	-1.007276
"50294"	528.027671	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M-2H+NH4"	16.019271
"490221"	784.031871	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M-2H+NH4"	16.019271
"873501"	272.023471	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-2H+NH4"	16.019271
"37027"	532.983066	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M-2H+Na"	20.974666
"477680"	788.987266	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M-2H+Na"	20.974666
"848915"	276.978866	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-2H+Na"	20.974666
"1620645"	276.978866	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Na-2H"	20.974666
"96079"	272.985263	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M-H+Cl"	33.962126
"538923"	400.987363	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M-H+Cl"	33.962126
"928425"	144.983163	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-H+Cl"	33.962126
"269897"	546.977802	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+Cl"	34.969402
"660737"	802.982002	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+Cl"	34.969402
"1273180"	290.973602	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Cl"	34.969402
"16422"	548.957006	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M-2H+K"	36.948606
"457933"	804.961206	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M-2H+K"	36.948606
"838287"	292.952806	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-2H+K"	36.948606
"1561775"	292.952806	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+K-2H"	36.948606
"945283"	301.002394	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-H+HCOOH"	44.998194
"367509"	557.006601	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+HCOOH-H"	44.998201
"351757"	571.022251	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+Hac-H"	59.013851
"1495484"	315.018051	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Hac-H"	59.013851
"964120"	322.984351	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-H+NaCOOH"	66.980151
"110124"	290.973602	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+2Cl"	69.938804
"554413"	418.975702	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+2Cl"	69.938804
"1021388"	162.971502	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2Cl"	69.938804
"1241378"	334.923085	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Br"	78.918885
"1307430"	336.979072	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Cl+HCOOH"	80.974872
"1327115"	358.961029	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Cl+NaCOOH"	102.956829
"913437"	368.989786	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M-H+CF3COOH"	112.985586
"1290877"	404.966464	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Cl+CF3COOH"	148.962264
"1370133"	220.991524	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H-2H2O"	-35.012676
"1385809"	239.0015	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H-H2O"	-17.0027
"287685"	513.015676	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+H"	1.007276
"677674"	769.019876	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+H"	1.007276
"1355369"	257.011476	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H"	1.007276
"131535"	257.011476	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+2H"	2.014552
"572187"	385.013576	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+2H"	2.014552
"1040255"	129.009376	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2H"	2.014552
"206332"	171.676742666667	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+3H"	3.021828
"645160"	257.011476	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+3H"	3.021828
"1164502"	86.3420093333334	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+3H"	3.021828
"424855"	530.042223	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+NH4"	18.033823
"785847"	786.046423	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+NH4"	18.033823
"1682545"	274.038023	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+NH4"	18.033823
"332176"	265.5247495	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+H+NH4"	19.041099
"727874"	393.5268495	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+H+NH4"	19.041099
"1487172"	137.5226495	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H+NH4"	19.041099
"402571"	534.997618	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+Na"	22.989218
"763563"	791.001818	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+Na"	22.989218
"1611662"	278.993418	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Na"	22.989218
"323885"	268.002447	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+H+Na"	23.996494
"715213"	396.004547	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+H+Na"	23.996494
"1472320"	140.000347	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H+Na"	23.996494
"1065572"	93.6693233333333	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2H+Na"	25.00377
"1270894"	289.037686	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+CH3OH+H"	33.033486
"390927"	550.971558	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+K"	38.963158
"751190"	806.975758	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+K"	38.963158
"1545589"	294.967358	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+K"	38.963158
"307137"	275.989417	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+H+K"	39.970434
"696277"	403.991517	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+H+K"	39.970434
"1447907"	147.987317	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H+K"	39.970434
"236871"	554.042226	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+ACN+H"	42.033826
"1211274"	298.038026	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+ACN+H"	42.033826
"1198560"	149.522651	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+ACN+2H"	43.041102
"193617"	556.97956	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+2Na-H"	44.97116
"629295"	812.98376	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+2Na-H"	44.97116
"1132313"	300.97536	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2Na-H"	44.97116
"185086"	278.993418	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+2Na"	45.978436
"619912"	406.995518	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+2Na"	45.978436
"1121967"	150.991318	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2Na"	45.978436
"1402210"	100.996637333333	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H+2Na"	46.985712
"1437609"	303.016946	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H+HCOOH"	47.012746
"225115"	284.02644	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+3H2O+2H"	56.04448
"1515367"	317.06899	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+IsoProp+H"	61.06479
"420889"	286.980388	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+Na+K"	61.952376
"782249"	414.982488	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+Na+K"	61.952376
"1680410"	158.978288	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Na+K"	61.952376
"265836"	576.024168	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+ACN+Na"	64.015768
"1240003"	320.019968	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+ACN+Na"	64.015768
"1727799"	320.043493	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+NH4+HCOOH"	64.039293
"1192058"	108.323951333333	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+3Na"	68.967654
"1664137"	324.998888	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Na+HCOOH"	68.994688
"169906"	588.92744	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+2K-H"	76.91904
"607642"	844.93164	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+2K-H"	76.91904
"1089963"	332.92324	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2K-H"	76.91904
"146777"	294.967358	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"2M+2K"	77.926316
"586338"	422.969458	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"3M+2K"	77.926316
"1074127"	166.965258	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2K"	77.926316
"1104059"	334.937792	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2K+H"	78.933592
"1341535"	335.025407	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+DMSO+H"	79.021207
"1007877"	339.064576	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2ACN+H"	83.060376
"1533666"	340.058208	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+IsoProp+Na+H"	84.054008
"991363"	170.035926	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+2ACN+2H"	84.067652
"1593523"	340.972828	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+K+HCOOH"	84.968628
"1419181"	371.004338	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+H+CF3COOH"	115.000138
"1156032"	190.549201	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+3ACN+2H"	125.094202
"1708866"	388.030885	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+NH4+CF3COOH"	132.026685
"1646704"	392.98628	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+Na+CF3COOH"	136.98208
"1583447"	408.96022	"C11585"	"4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate"	"C10H8O6S"	"256.0042"	"M+K+CF3COOH"	152.95602
"803970"	320.0896	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M"	0
"988438"	301.07121	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-H2O-H"	-19.01839
"69025"	212.385790666667	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M-3H"	-3.021828
"514052"	319.082324	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M-3H"	-3.021828
"888573"	105.689257333333	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-3H"	-3.021828
"8241"	319.082324	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M-2H"	-2.014552
"443426"	479.127124	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M-2H"	-2.014552
"825605"	159.037524	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-2H"	-2.014552
"80129"	639.171924	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M-H"	-1.007276
"520782"	959.261524	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M-H"	-1.007276
"897121"	319.082324	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-H"	-1.007276
"50767"	656.198471	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M-2H+NH4"	16.019271
"489601"	976.288071	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M-2H+NH4"	16.019271
"873611"	336.108871	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-2H+NH4"	16.019271
"37137"	661.153866	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M-2H+Na"	20.974666
"477790"	981.243466	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M-2H+Na"	20.974666
"850245"	341.064266	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-2H+Na"	20.974666
"1619783"	341.064266	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Na-2H"	20.974666
"95457"	337.070663	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M-H+Cl"	33.962126
"534894"	497.115463	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M-H+Cl"	33.962126
"927590"	177.025863	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-H+Cl"	33.962126
"267817"	675.148602	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+Cl"	34.969402
"660476"	995.238202	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+Cl"	34.969402
"1273369"	355.059002	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Cl"	34.969402
"16045"	677.127806	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M-2H+K"	36.948606
"457192"	997.217406	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M-2H+K"	36.948606
"837304"	357.038206	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-2H+K"	36.948606
"1561885"	357.038206	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+K-2H"	36.948606
"948307"	365.087794	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-H+HCOOH"	44.998194
"365431"	685.177401	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+HCOOH-H"	44.998201
"347855"	699.193051	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+Hac-H"	59.013851
"1497416"	379.103451	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Hac-H"	59.013851
"963866"	387.069751	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-H+NaCOOH"	66.980151
"113138"	355.059002	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+2Cl"	69.938804
"549964"	515.103802	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+2Cl"	69.938804
"1021659"	195.014202	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2Cl"	69.938804
"1241556"	399.008485	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Br"	78.918885
"1304335"	401.064472	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Cl+HCOOH"	80.974872
"1326861"	423.046429	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Cl+NaCOOH"	102.956829
"912818"	433.075186	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M-H+CF3COOH"	112.985586
"1290261"	469.051864	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Cl+CF3COOH"	148.962264
"1369150"	285.076924	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H-2H2O"	-35.012676
"1385555"	303.0869	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H-H2O"	-17.0027
"287795"	641.186476	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+H"	1.007276
"680218"	961.276076	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+H"	1.007276
"1359848"	321.096876	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H"	1.007276
"130549"	321.096876	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+2H"	2.014552
"572298"	481.141676	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+2H"	2.014552
"1039999"	161.052076	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2H"	2.014552
"206078"	214.400342666667	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+3H"	3.021828
"644909"	321.096876	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+3H"	3.021828
"1163396"	107.703809333333	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+3H"	3.021828
"426669"	658.213023	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+NH4"	18.033823
"793133"	978.302623	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+NH4"	18.033823
"1681296"	338.123423	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+NH4"	18.033823
"333379"	329.6101495	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+H+NH4"	19.041099
"727255"	489.6549495	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+H+NH4"	19.041099
"1485096"	169.5653495	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H+NH4"	19.041099
"401587"	663.168418	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+Na"	22.989218
"761486"	983.258018	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+Na"	22.989218
"1609586"	343.078818	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Na"	22.989218
"322902"	332.087847	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+H+Na"	23.996494
"714230"	492.132647	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+H+Na"	23.996494
"1471337"	172.043047	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H+Na"	23.996494
"1065321"	115.031123333333	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2H+Na"	25.00377
"1269550"	353.123086	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+CH3OH+H"	33.033486
"390673"	679.142358	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+K"	38.963158
"752392"	999.231958	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+K"	38.963158
"1548979"	359.052758	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+K"	38.963158
"306154"	340.074817	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+H+K"	39.970434
"696388"	500.119617	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+H+K"	39.970434
"1451298"	180.030017	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H+K"	39.970434
"236740"	682.213026	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+ACN+H"	42.033826
"1210172"	362.123426	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+ACN+H"	42.033826
"1196120"	181.565351	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+ACN+2H"	43.041102
"192634"	685.15036	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+2Na-H"	44.97116
"629770"	1005.23996	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+2Na-H"	44.97116
"1137895"	365.06076	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2Na-H"	44.97116
"185928"	343.078818	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+2Na"	45.978436
"621479"	503.123618	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+2Na"	45.978436
"1123170"	183.034018	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2Na"	45.978436
"1403413"	122.358437333333	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H+2Na"	46.985712
"1439905"	367.102346	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H+HCOOH"	47.012746
"223038"	348.11184	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+3H2O+2H"	56.04448
"1516570"	381.15439	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+IsoProp+H"	61.06479
"417352"	351.065788	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+Na+K"	61.952376
"784918"	511.110588	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+Na+K"	61.952376
"1680155"	191.020988	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Na+K"	61.952376
"266559"	704.194968	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+ACN+Na"	64.015768
"1240967"	384.105368	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+ACN+Na"	64.015768
"1727057"	384.128893	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+NH4+HCOOH"	64.039293
"1191804"	129.685751333333	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+3Na"	68.967654
"1663155"	389.084288	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Na+HCOOH"	68.994688
"170379"	717.09824	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+2K-H"	76.91904
"607752"	1037.18784	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+2K-H"	76.91904
"1090074"	397.00864	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2K-H"	76.91904
"143608"	359.052758	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"2M+2K"	77.926316
"587542"	519.097558	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"3M+2K"	77.926316
"1074237"	199.007958	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2K"	77.926316
"1106356"	399.023192	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2K+H"	78.933592
"1342738"	399.110807	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+DMSO+H"	79.021207
"1011266"	403.149976	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2ACN+H"	83.060376
"1533775"	404.143608	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+IsoProp+Na+H"	84.054008
"995846"	202.078626	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+2ACN+2H"	84.067652
"1595819"	405.058228	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+K+HCOOH"	84.968628
"1419291"	435.089738	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+H+CF3COOH"	115.000138
"1160515"	222.591901	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+3ACN+2H"	125.094202
"1708976"	452.116285	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+NH4+CF3COOH"	132.026685
"1646814"	457.07168	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+Na+CF3COOH"	136.98208
"1583557"	473.04562	"C11586"	"alpha-Naphthyl-beta-D-glucuronide;1-Naphthyl glucuronide"	"C16H16O7"	"320.0896"	"M+K+CF3COOH"	152.95602
"816724"	610.3115	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M"	0
"988913"	591.29311	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-H2O-H"	-19.01839
"72415"	405.867057333333	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M-3H"	-3.021828
"513069"	609.304224	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M-3H"	-3.021828
"888683"	202.429890666667	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-3H"	-3.021828
"6164"	609.304224	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M-2H"	-2.014552
"443536"	914.459974	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M-2H"	-2.014552
"826809"	304.148474	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-2H"	-2.014552
"83520"	1219.615724	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M-H"	-1.007276
"519798"	1829.927224	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M-H"	-1.007276
"896746"	609.304224	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-H"	-1.007276
"49056"	1236.642271	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M-2H+NH4"	16.019271
"490438"	1846.953771	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M-2H+NH4"	16.019271
"869346"	626.330771	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-2H+NH4"	16.019271
"37247"	1241.597666	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M-2H+Na"	20.974666
"477900"	1851.909166	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M-2H+Na"	20.974666
"851330"	631.286166	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-2H+Na"	20.974666
"1624146"	631.286166	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Na-2H"	20.974666
"100675"	627.292563	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M-H+Cl"	33.962126
"540236"	932.448313	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M-H+Cl"	33.962126
"930468"	322.136813	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-H+Cl"	33.962126
"267522"	1255.592402	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+Cl"	34.969402
"660384"	1865.903902	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+Cl"	34.969402
"1273725"	645.280902	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Cl"	34.969402
"24062"	1257.571606	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M-2H+K"	36.948606
"458518"	1867.883106	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M-2H+K"	36.948606
"835956"	647.260106	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-2H+K"	36.948606
"1561631"	647.260106	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+K-2H"	36.948606
"946231"	655.309694	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-H+HCOOH"	44.998194
"365907"	1265.621201	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+HCOOH-H"	44.998201
"350518"	1279.636851	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+Hac-H"	59.013851
"1497527"	669.325351	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Hac-H"	59.013851
"961424"	677.291651	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-H+NaCOOH"	66.980151
"110250"	645.280902	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+2Cl"	69.938804
"553904"	950.436652	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+2Cl"	69.938804
"1021645"	340.125152	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2Cl"	69.938804
"1241630"	689.230385	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Br"	78.918885
"1307286"	691.286372	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Cl+HCOOH"	80.974872
"1329159"	713.268329	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Cl+NaCOOH"	102.956829
"912929"	723.297086	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M-H+CF3COOH"	112.985586
"1296934"	759.273764	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Cl+CF3COOH"	148.962264
"1371814"	575.298824	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H-2H2O"	-35.012676
"1398305"	593.3088	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H-H2O"	-17.0027
"287905"	1221.630276	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+H"	1.007276
"681421"	1831.941776	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+H"	1.007276
"1357771"	611.318776	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H"	1.007276
"131752"	611.318776	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+2H"	2.014552
"571313"	916.474526	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+2H"	2.014552
"1039381"	306.163026	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2H"	2.014552
"206916"	407.881609333333	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+3H"	3.021828
"647569"	611.318776	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+3H"	3.021828
"1163508"	204.444442666667	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+3H"	3.021828
"424957"	1238.656823	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+NH4"	18.033823
"787775"	1848.968323	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+NH4"	18.033823
"1681546"	628.345323	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+NH4"	18.033823
"336041"	619.8320495	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+H+NH4"	19.041099
"725542"	924.9877995	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+H+NH4"	19.041099
"1485208"	314.6762995	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H+NH4"	19.041099
"401697"	1243.612218	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+Na"	22.989218
"762691"	1853.923718	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+Na"	22.989218
"1608602"	633.300718	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Na"	22.989218
"321915"	622.309747	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+H+Na"	23.996494
"715431"	927.465497	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+H+Na"	23.996494
"1470355"	317.153997	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H+Na"	23.996494
"1068147"	211.771756666667	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2H+Na"	25.00377
"1272456"	643.344986	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+CH3OH+H"	33.033486
"391876"	1259.586158	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+K"	38.963158
"753237"	1869.897658	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+K"	38.963158
"1554923"	649.274658	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+K"	38.963158
"309544"	630.296717	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+H+K"	39.970434
"697593"	935.452467	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+H+K"	39.970434
"1452505"	325.140967	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H+K"	39.970434
"240010"	1262.656826	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+ACN+H"	42.033826
"1211624"	652.345326	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+ACN+H"	42.033826
"1199881"	326.676301	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+ACN+2H"	43.041102
"188981"	1265.59416	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+2Na-H"	44.97116
"637781"	1875.90566	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+2Na-H"	44.97116
"1142381"	655.28266	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2Na-H"	44.97116
"184947"	633.300718	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+2Na"	45.978436
"620865"	938.456468	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+2Na"	45.978436
"1125467"	328.144968	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2Na"	45.978436
"1402427"	219.099070666667	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H+2Na"	46.985712
"1441109"	657.324246	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H+HCOOH"	47.012746
"227523"	638.33374	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+3H2O+2H"	56.04448
"1523244"	671.37629	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+IsoProp+H"	61.06479
"420741"	641.287688	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+Na+K"	61.952376
"784299"	946.443438	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+Na+K"	61.952376
"1678440"	336.131938	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Na+K"	61.952376
"265696"	1284.638768	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+ACN+Na"	64.015768
"1241077"	674.327268	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+ACN+Na"	64.015768
"1727532"	674.350793	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+NH4+HCOOH"	64.039293
"1190821"	226.426384666667	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+3Na"	68.967654
"1661804"	679.306188	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Na+HCOOH"	68.994688
"168301"	1297.54204	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+2K-H"	76.91904
"608588"	1907.85354	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+2K-H"	76.91904
"1093465"	687.23054	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2K-H"	76.91904
"146999"	649.274658	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"2M+2K"	77.926316
"586559"	954.430408	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"3M+2K"	77.926316
"1073254"	344.118908	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2K"	77.926316
"1105375"	689.245092	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2K+H"	78.933592
"1341759"	689.332707	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+DMSO+H"	79.021207
"1013566"	693.371876	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2ACN+H"	83.060376
"1536072"	694.365508	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+IsoProp+Na+H"	84.054008
"998145"	347.189576	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+2ACN+2H"	84.067652
"1599210"	695.280128	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+K+HCOOH"	84.968628
"1423775"	725.311638	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+H+CF3COOH"	115.000138
"1159532"	367.702851	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+3ACN+2H"	125.094202
"1709086"	742.338185	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+NH4+CF3COOH"	132.026685
"1643642"	747.29358	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+Na+CF3COOH"	136.98208
"1583667"	763.26752	"C11587"	"BQ 123;CycloD-trp-D-asp-L-pro-D-val-L-leu"	"C31H42N6O7"	"610.3115"	"M+K+CF3COOH"	152.95602
"804190"	184.0736	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M"	0
"981003"	165.05521	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-H2O-H"	-19.01839
"69245"	121.708457333333	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M-3H"	-3.021828
"504430"	183.066324	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M-3H"	-3.021828
"880284"	60.3505906666667	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-3H"	-3.021828
"5181"	183.066324	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M-2H"	-2.014552
"442553"	275.103124	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M-2H"	-2.014552
"817227"	91.029524	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-2H"	-2.014552
"78801"	367.139924	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M-H"	-1.007276
"520387"	551.213524	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M-H"	-1.007276
"896123"	183.066324	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-H"	-1.007276
"48067"	384.166471	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M-2H+NH4"	16.019271
"488359"	568.240071	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M-2H+NH4"	16.019271
"869456"	200.092871	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-2H+NH4"	16.019271
"40637"	389.121866	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M-2H+Na"	20.974666
"478010"	573.195466	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M-2H+Na"	20.974666
"852533"	205.048266	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-2H+Na"	20.974666
"1623163"	205.048266	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Na-2H"	20.974666
"100785"	201.054663	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M-H+Cl"	33.962126
"537063"	293.091463	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M-H+Cl"	33.962126
"928390"	109.017863	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-H+Cl"	33.962126
"267212"	403.116602	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+Cl"	34.969402
"659983"	587.190202	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+Cl"	34.969402
"1273229"	219.043002	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Cl"	34.969402
"23079"	405.095806	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M-2H+K"	36.948606
"456196"	589.169406	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M-2H+K"	36.948606
"832819"	221.022206	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-2H+K"	36.948606
"1557731"	221.022206	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+K-2H"	36.948606
"945614"	229.071794	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-H+HCOOH"	44.998194
"363829"	413.145401	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+HCOOH-H"	44.998201
"345970"	427.161051	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+Hac-H"	59.013851
"1494357"	243.087451	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Hac-H"	59.013851
"960435"	251.053751	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-H+NaCOOH"	66.980151
"110561"	219.043002	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+2Cl"	69.938804
"554014"	311.079802	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+2Cl"	69.938804
"1021457"	127.006202	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2Cl"	69.938804
"1241386"	262.992485	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Br"	78.918885
"1308491"	265.048472	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Cl+HCOOH"	80.974872
"1329269"	287.030429	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Cl+NaCOOH"	102.956829
"911580"	297.059186	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M-H+CF3COOH"	112.985586
"1297044"	333.035864	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Cl+CF3COOH"	148.962264
"1369737"	149.060924	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H-2H2O"	-35.012676
"1398172"	167.0709	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H-H2O"	-17.0027
"288015"	369.154476	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+H"	1.007276
"681531"	553.228076	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+H"	1.007276
"1357881"	185.080876	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H"	1.007276
"132955"	185.080876	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+2H"	2.014552
"573609"	277.117676	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+2H"	2.014552
"1040221"	93.044076	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2H"	2.014552
"208120"	123.723009333333	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+3H"	3.021828
"647679"	185.080876	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+3H"	3.021828
"1163373"	62.3651426666667	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+3H"	3.021828
"424373"	386.181023	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+NH4"	18.033823
"790072"	570.254623	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+NH4"	18.033823
"1682029"	202.107423	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+NH4"	18.033823
"336515"	193.5941495	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+H+NH4"	19.041099
"726016"	285.6309495	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+H+NH4"	19.041099
"1480929"	101.5573495	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H+NH4"	19.041099
"397058"	391.136418	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+Na"	22.989218
"761708"	575.210018	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+Na"	22.989218
"1605433"	207.062818	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Na"	22.989218
"322026"	196.071847	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+H+Na"	23.996494
"713354"	288.108647	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+H+Na"	23.996494
"1471558"	104.035047	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H+Na"	23.996494
"1068332"	69.6924566666667	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2H+Na"	25.00377
"1271587"	217.107086	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+CH3OH+H"	33.033486
"389429"	407.110358	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+K"	38.963158
"744957"	591.183958	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+K"	38.963158
"1555395"	223.036758	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+K"	38.963158
"306373"	204.058817	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+H+K"	39.970434
"695516"	296.095617	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+H+K"	39.970434
"1451522"	112.022017	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H+K"	39.970434
"236961"	410.181026	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+ACN+H"	42.033826
"1210762"	226.107426	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+ACN+H"	42.033826
"1199991"	113.557351	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+ACN+2H"	43.041102
"188726"	413.11836	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+2Na-H"	44.97116
"637891"	597.19196	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+2Na-H"	44.97116
"1142491"	229.04476	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2Na-H"	44.97116
"182505"	207.062818	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+2Na"	45.978436
"624255"	299.099618	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+2Na"	45.978436
"1124484"	115.026018	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2Na"	45.978436
"1403633"	77.0197706666667	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H+2Na"	46.985712
"1435750"	231.086346	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H+HCOOH"	47.012746
"227633"	212.09584	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+3H2O+2H"	56.04448
"1523355"	245.13839	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+IsoProp+H"	61.06479
"421580"	215.049788	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+Na+K"	61.952376
"784407"	307.086588	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+Na+K"	61.952376
"1679278"	123.012988	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Na+K"	61.952376
"262519"	432.162968	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+ACN+Na"	64.015768
"1236686"	248.089368	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+ACN+Na"	64.015768
"1724479"	248.112893	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+NH4+HCOOH"	64.039293
"1192751"	84.3470846666667	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+3Na"	68.967654
"1660819"	253.068288	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Na+HCOOH"	68.994688
"168045"	445.06624	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+2K-H"	76.91904
"607602"	629.13984	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+2K-H"	76.91904
"1093575"	260.99264	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2K-H"	76.91904
"147109"	223.036758	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"2M+2K"	77.926316
"585575"	315.073558	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"3M+2K"	77.926316
"1076644"	130.999958	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2K"	77.926316
"1106578"	263.007192	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2K+H"	78.933592
"1346240"	263.094807	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+DMSO+H"	79.021207
"1013676"	267.133976	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2ACN+H"	83.060376
"1532902"	268.127608	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+IsoProp+Na+H"	84.054008
"998255"	134.070626	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+2ACN+2H"	84.067652
"1599321"	269.042228	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+K+HCOOH"	84.968628
"1423885"	299.073738	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+H+CF3COOH"	115.000138
"1159642"	154.583901	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+3ACN+2H"	125.094202
"1708102"	316.100285	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+NH4+CF3COOH"	132.026685
"1643752"	321.05568	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+Na+CF3COOH"	136.98208
"1573936"	337.02962	"C11588"	"cis-3-(Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;cis-3-(2-Carboxy-ethyl)-35-cyclo-hexadiene-12-diol;3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)propanoate"	"C9H12O4"	"184.0736"	"M+K+CF3COOH"	152.95602
"807580"	650.2523	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M"	0
"981112"	631.23391	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-H2O-H"	-19.01839
"70448"	432.494257333333	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M-3H"	-3.021828
"504539"	649.245024	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M-3H"	-3.021828
"880755"	215.743490666667	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-3H"	-3.021828
"5291"	649.245024	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M-2H"	-2.014552
"441203"	974.371174	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M-2H"	-2.014552
"817545"	324.118874	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-2H"	-2.014552
"80817"	1299.497324	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M-H"	-1.007276
"520740"	1949.749624	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M-H"	-1.007276
"897204"	649.245024	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-H"	-1.007276
"49635"	1316.523871	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M-2H+NH4"	16.019271
"488834"	1966.776171	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M-2H+NH4"	16.019271
"870659"	666.271571	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-2H+NH4"	16.019271
"36372"	1321.479266	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M-2H+Na"	20.974666
"478120"	1971.731566	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M-2H+Na"	20.974666
"851550"	671.226966	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-2H+Na"	20.974666
"1625460"	671.226966	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Na-2H"	20.974666
"100895"	667.233363	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M-H+Cl"	33.962126
"537537"	992.359513	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M-H+Cl"	33.962126
"928500"	342.107213	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-H+Cl"	33.962126
"267128"	1335.474002	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+Cl"	34.969402
"660114"	1985.726302	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+Cl"	34.969402
"1273086"	685.221702	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Cl"	34.969402
"16618"	1337.453206	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M-2H+K"	36.948606
"456550"	1987.705506	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M-2H+K"	36.948606
"832925"	687.200906	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-2H+K"	36.948606
"1555808"	687.200906	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+K-2H"	36.948606
"943653"	695.250494	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-H+HCOOH"	44.998194
"363935"	1345.502801	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+HCOOH-H"	44.998201
"347456"	1359.518451	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+Hac-H"	59.013851
"1494827"	709.266151	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Hac-H"	59.013851
"961274"	717.232451	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-H+NaCOOH"	66.980151
"111153"	685.221702	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+2Cl"	69.938804
"554124"	1010.347852	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+2Cl"	69.938804
"1021513"	360.095552	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2Cl"	69.938804
"1241646"	729.171185	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Br"	78.918885
"1308601"	731.227172	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Cl+HCOOH"	80.974872
"1326100"	753.209129	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Cl+NaCOOH"	102.956829
"918255"	763.237886	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M-H+CF3COOH"	112.985586
"1297154"	799.214564	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Cl+CF3COOH"	148.962264
"1369118"	615.239624	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H-2H2O"	-35.012676
"1396823"	633.2496	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H-H2O"	-17.0027
"285938"	1301.511876	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+H"	1.007276
"677267"	1951.764176	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+H"	1.007276
"1356897"	651.259576	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H"	1.007276
"133065"	651.259576	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+2H"	2.014552
"573719"	976.385726	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+2H"	2.014552
"1042518"	326.133426	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2H"	2.014552
"209323"	434.508809333333	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+3H"	3.021828
"649977"	651.259576	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+3H"	3.021828
"1164212"	217.758042666667	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+3H"	3.021828
"425299"	1318.538423	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+NH4"	18.033823
"790182"	1968.790723	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+NH4"	18.033823
"1683234"	668.286123	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+NH4"	18.033823
"336989"	659.7728495	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+H+NH4"	19.041099
"723939"	984.8989995	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+H+NH4"	19.041099
"1480675"	334.6466995	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H+NH4"	19.041099
"396439"	1323.493818	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+Na"	22.989218
"760724"	1973.746118	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+Na"	22.989218
"1608823"	673.241518	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Na"	22.989218
"321042"	662.250547	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+H+Na"	23.996494
"713464"	987.376697	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+H+Na"	23.996494
"1469482"	337.124397	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H+Na"	23.996494
"1066740"	225.085356666667	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2H+Na"	25.00377
"1269146"	683.285786	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+CH3OH+H"	33.033486
"387354"	1339.467758	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+K"	38.963158
"745067"	1989.720058	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+K"	38.963158
"1554049"	689.215458	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+K"	38.963158
"306483"	670.237517	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+H+K"	39.970434
"694532"	995.363667	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+H+K"	39.970434
"1452725"	345.111367	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H+K"	39.970434
"236950"	1342.538426	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+ACN+H"	42.033826
"1211844"	692.286126	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+ACN+H"	42.033826
"1199008"	346.646701	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+ACN+2H"	43.041102
"189933"	1345.47576	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+2Na-H"	44.97116
"636908"	1995.72806	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+2Na-H"	44.97116
"1142237"	695.22346	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2Na-H"	44.97116
"183708"	673.241518	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+2Na"	45.978436
"624365"	998.367668	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+2Na"	45.978436
"1124594"	348.115368	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2Na"	45.978436
"1403743"	232.412670666667	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H+2Na"	46.985712
"1436954"	697.265046	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H+HCOOH"	47.012746
"227743"	678.27454	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+3H2O+2H"	56.04448
"1522613"	711.31709	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+IsoProp+H"	61.06479
"421690"	681.228488	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+Na+K"	61.952376
"784033"	1006.354638	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+Na+K"	61.952376
"1680605"	356.102338	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Na+K"	61.952376
"262265"	1364.520368	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+ACN+Na"	64.015768
"1239348"	714.268068	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+ACN+Na"	64.015768
"1724954"	714.291593	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+NH4+HCOOH"	64.039293
"1192132"	239.739984666667	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+3Na"	68.967654
"1662022"	719.246988	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Na+HCOOH"	68.994688
"167791"	1377.42364	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+2K-H"	76.91904
"607712"	2027.67594	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+2K-H"	76.91904
"1093685"	727.17134	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2K-H"	76.91904
"147219"	689.215458	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"2M+2K"	77.926316
"587872"	1014.341608	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"3M+2K"	77.926316
"1077848"	364.089308	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2K"	77.926316
"1106325"	729.185892	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2K+H"	78.933592
"1344164"	729.273507	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+DMSO+H"	79.021207
"1011599"	733.312676	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2ACN+H"	83.060376
"1533011"	734.306308	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+IsoProp+Na+H"	84.054008
"997272"	367.159976	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+2ACN+2H"	84.067652
"1600524"	735.220928	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+K+HCOOH"	84.968628
"1422902"	765.252438	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+H+CF3COOH"	115.000138
"1156472"	387.673251	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+3ACN+2H"	125.094202
"1707118"	782.278985	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+NH4+CF3COOH"	132.026685
"1642769"	787.23438	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+Na+CF3COOH"	136.98208
"1574046"	803.20832	"C11589"	"BQ 518"	"C32H38N6O7S"	"650.2523"	"M+K+CF3COOH"	152.95602
"804410"	783.4095	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M"	0
"979035"	764.39111	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-H2O-H"	-19.01839
"69465"	521.265724	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M-3H"	-3.021828
"503556"	782.402224	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M-3H"	-3.021828
"881352"	260.129224	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-3H"	-3.021828
"4308"	782.402224	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M-2H"	-2.014552
"442406"	1174.106974	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M-2H"	-2.014552
"818872"	390.697474	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-2H"	-2.014552
"81656"	1565.811724	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M-H"	-1.007276
"521216"	2349.221224	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M-H"	-1.007276
"899017"	782.402224	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-H"	-1.007276
"49385"	1582.838271	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M-2H+NH4"	16.019271
"490766"	2366.247771	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M-2H+NH4"	16.019271
"866513"	799.428771	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-2H+NH4"	16.019271
"35389"	1587.793666	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M-2H+Na"	20.974666
"474949"	2371.203166	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M-2H+Na"	20.974666
"849104"	804.384166	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-2H+Na"	20.974666
"1626663"	804.384166	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Na-2H"	20.974666
"101005"	800.390563	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M-H+Cl"	33.962126
"537283"	1192.095313	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M-H+Cl"	33.962126
"928610"	408.685813	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-H+Cl"	33.962126
"267403"	1601.788402	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+Cl"	34.969402
"660790"	2385.197902	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+Cl"	34.969402
"1273804"	818.378902	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Cl"	34.969402
"16850"	1603.767606	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M-2H+K"	36.948606
"456417"	2387.177106	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M-2H+K"	36.948606
"834210"	820.358106	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-2H+K"	36.948606
"1556609"	820.358106	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+K-2H"	36.948606
"944372"	828.407694	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-H+HCOOH"	44.998194
"363680"	1611.817201	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+HCOOH-H"	44.998201
"348658"	1625.832851	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+Hac-H"	59.013851
"1497857"	842.423351	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Hac-H"	59.013851
"960658"	850.389651	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-H+NaCOOH"	66.980151
"111389"	818.378902	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+2Cl"	69.938804
"550948"	1210.083652	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+2Cl"	69.938804
"1022417"	426.674152	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2Cl"	69.938804
"1242356"	862.328385	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Br"	78.918885
"1304574"	864.384372	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Cl+HCOOH"	80.974872
"1321099"	886.366329	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Cl+NaCOOH"	102.956829
"919459"	896.395086	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M-H+CF3COOH"	112.985586
"1298357"	932.371764	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Cl+CF3COOH"	148.962264
"1368135"	748.396824	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H-2H2O"	-35.012676
"1397297"	766.4068	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H-H2O"	-17.0027
"284955"	1567.826276	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+H"	1.007276
"677377"	2351.235776	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+H"	1.007276
"1358100"	784.416776	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H"	1.007276
"130988"	784.416776	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+2H"	2.014552
"571642"	1176.121526	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+2H"	2.014552
"1042626"	392.712026	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2H"	2.014552
"211986"	523.280276	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+3H"	3.021828
"648993"	784.416776	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+3H"	3.021828
"1163960"	262.143776	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+3H"	3.021828
"427112"	1584.852823	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+NH4"	18.033823
"789199"	2368.262323	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+NH4"	18.033823
"1682251"	801.443323	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+NH4"	18.033823
"335277"	792.9300495	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+H+NH4"	19.041099
"723684"	1184.6347995	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+H+NH4"	19.041099
"1480056"	401.2252995	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H+NH4"	19.041099
"396185"	1589.808218	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+Na"	22.989218
"760834"	2373.217718	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+Na"	22.989218
"1610026"	806.398718	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Na"	22.989218
"320059"	795.407747	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+H+Na"	23.996494
"712481"	1187.112497	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+H+Na"	23.996494
"1470685"	403.702997	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H+Na"	23.996494
"1065394"	269.47109	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2H+Na"	25.00377
"1268164"	816.442986	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+CH3OH+H"	33.033486
"387464"	1605.782158	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+K"	38.963158
"741897"	2389.191658	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+K"	38.963158
"1543947"	822.372658	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+K"	38.963158
"300031"	803.394717	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+H+K"	39.970434
"693175"	1195.099467	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+H+K"	39.970434
"1446632"	411.689967	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H+K"	39.970434
"237048"	1608.852826	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+ACN+H"	42.033826
"1210122"	825.443326	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+ACN+H"	42.033826
"1195218"	413.225301	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+ACN+2H"	43.041102
"189427"	1611.79016	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+2Na-H"	44.97116
"631549"	2395.19966	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+2Na-H"	44.97116
"1136149"	828.38066	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2Na-H"	44.97116
"180539"	806.398718	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+2Na"	45.978436
"624475"	1198.103468	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+2Na"	45.978436
"1123610"	414.693968	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2Na"	45.978436
"1402027"	276.798404	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H+2Na"	46.985712
"1435970"	830.422246	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H+HCOOH"	47.012746
"227853"	811.43174	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+3H2O+2H"	56.04448
"1522603"	844.47429	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+IsoProp+H"	61.06479
"422893"	814.385688	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+Na+K"	61.952376
"784385"	1206.090438	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+Na+K"	61.952376
"1679495"	422.680938	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Na+K"	61.952376
"263833"	1630.834768	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+ACN+Na"	64.015768
"1239822"	847.425268	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+ACN+Na"	64.015768
"1724695"	847.448793	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+NH4+HCOOH"	64.039293
"1190417"	284.125718	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+3Na"	68.967654
"1660674"	852.404188	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Na+HCOOH"	68.994688
"166442"	1643.73804	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+2K-H"	76.91904
"606001"	2427.14754	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+2K-H"	76.91904
"1092700"	860.32854	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2K-H"	76.91904
"149516"	822.372658	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"2M+2K"	77.926316
"590169"	1214.077408	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"3M+2K"	77.926316
"1079051"	430.667908	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2K"	77.926316
"1108621"	862.343092	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2K+H"	78.933592
"1344274"	862.430707	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+DMSO+H"	79.021207
"1012802"	866.469876	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2ACN+H"	83.060376
"1530933"	867.463508	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+IsoProp+Na+H"	84.054008
"996286"	433.738576	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+2ACN+2H"	84.067652
"1600634"	868.378128	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+K+HCOOH"	84.968628
"1423012"	898.409638	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+H+CF3COOH"	115.000138
"1158769"	454.251851	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+3ACN+2H"	125.094202
"1708322"	915.436185	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+NH4+CF3COOH"	132.026685
"1643972"	920.39158	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+Na+CF3COOH"	136.98208
"1574520"	936.36552	"C11590"	"Beauvericin"	"C45H57N3O9"	"783.4095"	"M+K+CF3COOH"	152.95602
"804520"	453.9422	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M"	0
"981332"	434.92381	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-H2O-H"	-19.01839
"71762"	301.620857333333	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M-3H"	-3.021828
"503665"	452.934924	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M-3H"	-3.021828
"880410"	150.306790666667	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-3H"	-3.021828
"3325"	452.934924	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M-2H"	-2.014552
"444338"	679.906024	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M-2H"	-2.014552
"821777"	225.963824	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-2H"	-2.014552
"85046"	906.877124	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M-H"	-1.007276
"522420"	1360.819324	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M-H"	-1.007276
"898763"	452.934924	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-H"	-1.007276
"52410"	923.903671	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M-2H+NH4"	16.019271
"495249"	1377.845871	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M-2H+NH4"	16.019271
"866502"	469.961471	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-2H+NH4"	16.019271
"33665"	928.859066	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M-2H+Na"	20.974666
"472257"	1382.801266	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M-2H+Na"	20.974666
"850675"	474.916866	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-2H+Na"	20.974666
"1626773"	474.916866	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Na-2H"	20.974666
"102208"	470.923263	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M-H+Cl"	33.962126
"536300"	697.894363	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M-H+Cl"	33.962126
"934190"	243.952163	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-H+Cl"	33.962126
"267882"	942.853802	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+Cl"	34.969402
"660540"	1396.796002	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+Cl"	34.969402
"1273552"	488.911602	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Cl"	34.969402
"16267"	944.833006	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M-2H+K"	36.948606
"457123"	1398.775206	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M-2H+K"	36.948606
"834081"	490.890806	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-2H+K"	36.948606
"1556600"	490.890806	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+K-2H"	36.948606
"945576"	498.940394	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-H+HCOOH"	44.998194
"364518"	952.882601	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+HCOOH-H"	44.998201
"349131"	966.898251	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+Hac-H"	59.013851
"1497967"	512.956051	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Hac-H"	59.013851
"962591"	520.922351	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-H+NaCOOH"	66.980151
"112228"	488.911602	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+2Cl"	69.938804
"552153"	715.882702	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+2Cl"	69.938804
"1022529"	261.940502	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2Cl"	69.938804
"1241865"	532.861085	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Br"	78.918885
"1304436"	534.917072	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Cl+HCOOH"	80.974872
"1320718"	556.899029	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Cl+NaCOOH"	102.956829
"918476"	566.927786	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M-H+CF3COOH"	112.985586
"1299560"	602.904464	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Cl+CF3COOH"	148.962264
"1368974"	418.929524	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H-2H2O"	-35.012676
"1396314"	436.9395	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H-H2O"	-17.0027
"283971"	908.891676	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+H"	1.007276
"678580"	1362.833876	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+H"	1.007276
"1357117"	454.949476	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H"	1.007276
"128912"	454.949476	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+2H"	2.014552
"569566"	681.920576	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+2H"	2.014552
"1041642"	227.978376	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2H"	2.014552
"210639"	303.635409333333	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+3H"	3.021828
"648010"	454.949476	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+3H"	3.021828
"1163949"	152.321342666667	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+3H"	3.021828
"428315"	925.918223	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+NH4"	18.033823
"790403"	1379.860423	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+NH4"	18.033823
"1682726"	471.976023	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+NH4"	18.033823
"330034"	463.4627495	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+H+NH4"	19.041099
"723430"	690.4338495	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+H+NH4"	19.041099
"1478343"	236.4916495	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H+NH4"	19.041099
"394472"	930.873618	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+Na"	22.989218
"760944"	1384.815818	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+Na"	22.989218
"1612323"	476.931418	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Na"	22.989218
"320169"	465.940447	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+H+Na"	23.996494
"712591"	692.911547	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+H+Na"	23.996494
"1471888"	238.969347	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H+Na"	23.996494
"1064409"	159.648656666667	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2H+Na"	25.00377
"1269003"	486.975686	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+CH3OH+H"	33.033486
"389398"	946.847558	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+K"	38.963158
"745287"	1400.789758	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+K"	38.963158
"1544058"	492.905358	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+K"	38.963158
"301234"	473.927417	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+H+K"	39.970434
"693650"	700.898517	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+H+K"	39.970434
"1448563"	246.956317	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H+K"	39.970434
"237887"	949.918226	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+ACN+H"	42.033826
"1211449"	495.976026	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+ACN+H"	42.033826
"1196059"	248.491651	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+ACN+2H"	43.041102
"191000"	952.85556	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+2Na-H"	44.97116
"631660"	1406.79776	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+2Na-H"	44.97116
"1136259"	498.91336	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2Na-H"	44.97116
"183925"	476.931418	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+2Na"	45.978436
"618025"	703.902518	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+2Na"	45.978436
"1119709"	249.960318	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2Na"	45.978436
"1400317"	166.975970666667	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H+2Na"	46.985712
"1434254"	500.954946	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H+HCOOH"	47.012746
"224680"	481.96444	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+3H2O+2H"	56.04448
"1514931"	515.00699	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+IsoProp+H"	61.06479
"418992"	484.918388	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+Na+K"	61.952376
"784008"	711.889488	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+Na+K"	61.952376
"1679603"	257.947288	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Na+K"	61.952376
"263578"	971.900168	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+ACN+Na"	64.015768
"1235922"	517.957968	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+ACN+Na"	64.015768
"1725534"	517.981493	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+NH4+HCOOH"	64.039293
"1187611"	174.303284666667	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+3Na"	68.967654
"1657505"	522.936888	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Na+HCOOH"	68.994688
"166186"	984.80344	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+2K-H"	76.91904
"606111"	1438.74564	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+2K-H"	76.91904
"1093903"	530.86124	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2K-H"	76.91904
"150714"	492.905358	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"2M+2K"	77.926316
"589915"	719.876458	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"3M+2K"	77.926316
"1079161"	265.934258	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2K"	77.926316
"1108002"	532.875792	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2K+H"	78.933592
"1340008"	532.963407	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+DMSO+H"	79.021207
"1008537"	537.002576	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2ACN+H"	83.060376
"1532137"	537.996208	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+IsoProp+Na+H"	84.054008
"998583"	269.004926	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+2ACN+2H"	84.067652
"1600745"	538.910828	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+K+HCOOH"	84.968628
"1420936"	568.942338	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+H+CF3COOH"	115.000138
"1158515"	289.518201	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+3ACN+2H"	125.094202
"1704056"	585.968885	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+NH4+CF3COOH"	132.026685
"1648457"	590.92428	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+Na+CF3COOH"	136.98208
"1584107"	606.89822	"C11591"	"DIDS;44-Diisothiocyanostilbene-22-disulfonic acid"	"C16H10N2O6S4"	"453.9422"	"M+K+CF3COOH"	152.95602
"804630"	162.0528	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M"	0
"981442"	143.03441	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"67497"	107.027924	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"505962"	161.045524	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"883760"	53.010324	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"2340"	161.045524	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"445542"	242.071924	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"820794"	80.019124	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"84064"	323.098324	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"525812"	485.151124	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"901426"	161.045524	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"53615"	340.124871	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"490991"	502.177671	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"867706"	178.072071	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"32077"	345.080266	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"472246"	507.133066	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"854064"	183.027466	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1622507"	183.027466	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"103413"	179.033863	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"539690"	260.060263	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"934300"	98.007463	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"269938"	359.075002	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"662359"	521.127802	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1273305"	197.022202	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"16586"	361.054206	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"456878"	523.107006	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"835408"	199.001406	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1558168"	199.001406	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"946414"	207.050994	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363899"	369.103801	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"348514"	383.119451	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1503912"	221.066651	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"961973"	229.032951	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"116349"	197.022202	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"561377"	278.048602	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1021914"	115.995802	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1241492"	240.971685	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1304548"	243.027672	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1320954"	265.009629	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"922960"	275.038386	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1297484"	311.015064	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1370177"	127.040124	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1393144"	145.0501	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"283593"	325.112876	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"676503"	487.165676	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1355040"	163.060076	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"126712"	163.060076	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"567853"	244.086476	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1041389"	82.033676	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"208197"	109.042476	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"648849"	163.060076	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1165153"	55.024876	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"428426"	342.139423	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"789420"	504.192223	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1682837"	180.086623	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"330873"	171.5733495	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"726091"	252.5997495	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1481004"	90.5469495	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"395310"	347.094818	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"758868"	509.147618	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1608060"	185.042018	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"317000"	174.051047	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"709422"	255.077447	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1466523"	93.024647	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1064154"	62.35219	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1267291"	195.086286	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"389143"	363.068758	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"744304"	525.121558	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1544532"	201.015958	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"301709"	182.038017	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"694855"	263.064417	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1447582"	101.011617	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"236545"	366.139426	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1214354"	204.086626	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1196051"	102.546951	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"190017"	369.07676	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"631770"	531.12956	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1135276"	207.02396	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"178570"	185.042018	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"618135"	266.068418	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1121641"	104.015618	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1400426"	69.679504	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1432907"	209.065546	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"222239"	190.07504	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1511760"	223.11759	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"413634"	193.028988	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"783023"	274.055388	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1680686"	112.002588	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"264051"	388.121368	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1237851"	226.068568	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1724550"	226.092093	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1189908"	77.006818	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1658706"	231.047488	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"166293"	401.02464	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"604033"	563.07744	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1088544"	238.97184	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"148637"	201.015958	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"587109"	282.042358	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1074897"	119.989558	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1108108"	240.986392	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1339025"	241.074007	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1006572"	245.113176	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1528967"	246.106808	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"995412"	123.060226	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1599761"	247.021428	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1421046"	277.052938	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1156802"	143.573501	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1704166"	294.079485	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1648567"	299.03488	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1584217"	315.00882	"C11592"	"Diethyl pyrocarbonate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"813488"	299.1092	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M"	0
"984833"	280.09081	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-H2O-H"	-19.01839
"71982"	198.398857333333	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M-3H"	-3.021828
"511542"	298.101924	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M-3H"	-3.021828
"887156"	98.6957906666667	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-3H"	-3.021828
"3544"	298.101924	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M-2H"	-2.014552
"445287"	447.656524	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M-2H"	-2.014552
"824189"	148.547324	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-2H"	-2.014552
"85275"	597.211124	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M-H"	-1.007276
"525929"	896.320324	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M-H"	-1.007276
"897169"	298.101924	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-H"	-1.007276
"51542"	614.237671	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M-2H+NH4"	16.019271
"492195"	913.346871	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M-2H+NH4"	16.019271
"866722"	315.128471	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-2H+NH4"	16.019271
"31863"	619.193066	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M-2H+Na"	20.974666
"472116"	918.302266	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M-2H+Na"	20.974666
"854177"	320.083866	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-2H+Na"	20.974666
"1628086"	320.083866	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Na-2H"	20.974666
"101333"	316.090263	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M-H+Cl"	33.962126
"540895"	465.644863	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M-H+Cl"	33.962126
"937690"	166.535663	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-H+Cl"	33.962126
"269682"	633.187802	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+Cl"	34.969402
"666481"	932.297002	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+Cl"	34.969402
"1274508"	334.078602	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Cl"	34.969402
"17063"	635.167006	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M-2H+K"	36.948606
"458810"	934.276206	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M-2H+K"	36.948606
"835156"	336.057806	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-2H+K"	36.948606
"1559008"	336.057806	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+K-2H"	36.948606
"944702"	344.107394	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-H+HCOOH"	44.998194
"361485"	643.216601	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+HCOOH-H"	44.998201
"348261"	657.232251	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+Hac-H"	59.013851
"1498552"	358.123051	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Hac-H"	59.013851
"960626"	366.089351	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-H+NaCOOH"	66.980151
"115368"	334.078602	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+2Cl"	69.938804
"561488"	483.633202	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+2Cl"	69.938804
"1022997"	184.524002	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2Cl"	69.938804
"1241563"	378.028085	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Br"	78.918885
"1307573"	380.084072	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Cl+HCOOH"	80.974872
"1320457"	402.066029	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Cl+NaCOOH"	102.956829
"925257"	412.094786	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M-H+CF3COOH"	112.985586
"1302334"	448.071464	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Cl+CF3COOH"	148.962264
"1372473"	264.096524	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H-2H2O"	-35.012676
"1397263"	282.1065	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H-H2O"	-17.0027
"290753"	599.225676	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+H"	1.007276
"684271"	898.334876	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+H"	1.007276
"1358433"	300.116476	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H"	1.007276
"131320"	300.116476	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+2H"	2.014552
"571972"	449.671076	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+2H"	2.014552
"1042230"	150.561876	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2H"	2.014552
"210862"	200.413409333333	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+3H"	3.021828
"649329"	300.116476	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+3H"	3.021828
"1169640"	100.710342666667	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+3H"	3.021828
"427447"	616.252223	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+NH4"	18.033823
"791719"	915.361423	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+NH4"	18.033823
"1690239"	317.143023	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+NH4"	18.033823
"333778"	308.6297495	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+H+NH4"	19.041099
"726566"	458.1843495	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+H+NH4"	19.041099
"1481480"	159.0751495	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H+NH4"	19.041099
"397976"	621.207618	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+Na"	22.989218
"758978"	920.316818	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+Na"	22.989218
"1609263"	322.098418	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Na"	22.989218
"320389"	311.107447	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+H+Na"	23.996494
"711720"	460.662047	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+H+Na"	23.996494
"1466633"	161.552847	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H+Na"	23.996494
"1065359"	108.037656666667	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2H+Na"	25.00377
"1267039"	332.142686	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+CH3OH+H"	33.033486
"387431"	637.181558	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+K"	38.963158
"751707"	936.290758	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+K"	38.963158
"1550840"	338.072358	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+K"	38.963158
"308017"	319.094417	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+H+K"	39.970434
"699345"	468.649017	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+H+K"	39.970434
"1452072"	169.539817	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H+K"	39.970434
"237390"	640.252226	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+ACN+H"	42.033826
"1213379"	341.143026	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+ACN+H"	42.033826
"1198716"	171.075151	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+ACN+2H"	43.041102
"194502"	643.18956	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+2Na-H"	44.97116
"637348"	942.29876	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+2Na-H"	44.97116
"1139761"	344.08036	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2Na-H"	44.97116
"183055"	322.098418	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+2Na"	45.978436
"625536"	471.653018	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+2Na"	45.978436
"1123210"	172.543818	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2Na"	45.978436
"1402725"	115.364970666667	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H+2Na"	46.985712
"1437393"	346.121946	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H+HCOOH"	47.012746
"221618"	327.13144	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+3H2O+2H"	56.04448
"1518434"	360.17399	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+IsoProp+H"	61.06479
"421401"	330.085388	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+Na+K"	61.952376
"783496"	479.639988	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+Na+K"	61.952376
"1678730"	180.530788	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Na+K"	61.952376
"264161"	662.234168	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+ACN+Na"	64.015768
"1237961"	363.124968	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+ACN+Na"	64.015768
"1723563"	363.148493	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+NH4+HCOOH"	64.039293
"1192569"	122.692284666667	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+3Na"	68.967654
"1657723"	368.103888	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Na+HCOOH"	68.994688
"164583"	675.13744	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+2K-H"	76.91904
"603049"	974.24664	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+2K-H"	76.91904
"1091935"	376.02824	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2K-H"	76.91904
"149840"	338.072358	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"2M+2K"	77.926316
"588309"	487.626958	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"3M+2K"	77.926316
"1075007"	188.517758	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2K"	77.926316
"1108218"	378.042792	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2K+H"	78.933592
"1339135"	378.130407	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+DMSO+H"	79.021207
"1006319"	382.169576	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2ACN+H"	83.060376
"1530171"	383.163208	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+IsoProp+Na+H"	84.054008
"995522"	191.588426	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+2ACN+2H"	84.067652
"1597683"	384.077828	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+K+HCOOH"	84.968628
"1421156"	414.109338	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+H+CF3COOH"	115.000138
"1159099"	212.101701	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+3ACN+2H"	125.094202
"1704276"	431.135885	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+NH4+CF3COOH"	132.026685
"1646490"	436.09128	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+Na+CF3COOH"	136.98208
"1584327"	452.06522	"C11593"	"E3040"	"C16H17N3OS"	"299.1092"	"M+K+CF3COOH"	152.95602
"813598"	379.066	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M"	0
"981663"	360.04761	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-H2O-H"	-19.01839
"70999"	251.703390666667	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M-3H"	-3.021828
"503996"	378.058724	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M-3H"	-3.021828
"881794"	125.348057333333	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-3H"	-3.021828
"3655"	378.058724	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M-2H"	-2.014552
"443210"	567.591724	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M-2H"	-2.014552
"820649"	188.525724	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-2H"	-2.014552
"83191"	757.124724	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M-H"	-1.007276
"521660"	1136.190724	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M-H"	-1.007276
"900554"	378.058724	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-H"	-1.007276
"50555"	774.151271	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M-2H+NH4"	16.019271
"489025"	1153.217271	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M-2H+NH4"	16.019271
"864309"	395.085271	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-2H+NH4"	16.019271
"31618"	779.106666	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M-2H+Na"	20.974666
"472226"	1158.172666	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M-2H+Na"	20.974666
"849913"	400.040666	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-2H+Na"	20.974666
"1619447"	400.040666	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Na-2H"	20.974666
"97069"	396.047063	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M-H+Cl"	33.962126
"537723"	585.580063	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M-H+Cl"	33.962126
"929415"	206.514063	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-H+Cl"	33.962126
"270158"	793.101402	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+Cl"	34.969402
"665133"	1172.167402	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+Cl"	34.969402
"1273889"	414.035402	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Cl"	34.969402
"17538"	795.080606	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M-2H+K"	36.948606
"456976"	1174.146606	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M-2H+K"	36.948606
"838182"	416.014606	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-2H+K"	36.948606
"1560212"	416.014606	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+K-2H"	36.948606
"944084"	424.064194	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-H+HCOOH"	44.998194
"363758"	803.130201	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+HCOOH-H"	44.998201
"348735"	817.145851	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+Hac-H"	59.013851
"1502309"	438.079851	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Hac-H"	59.013851
"959277"	446.046151	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-H+NaCOOH"	66.980151
"116572"	414.035402	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+2Cl"	69.938804
"558318"	603.568402	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+2Cl"	69.938804
"1023835"	224.502402	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2Cl"	69.938804
"1242442"	457.984885	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Br"	78.918885
"1304928"	460.040872	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Cl+HCOOH"	80.974872
"1321170"	482.022829	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Cl+NaCOOH"	102.956829
"925978"	492.051586	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M-H+CF3COOH"	112.985586
"1296611"	528.028264	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Cl+CF3COOH"	148.962264
"1369305"	344.053324	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H-2H2O"	-35.012676
"1395187"	362.0633	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H-H2O"	-17.0027
"287583"	759.139276	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+H"	1.007276
"678912"	1138.205276	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+H"	1.007276
"1356356"	380.073276	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H"	1.007276
"132523"	380.073276	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+2H"	2.014552
"568802"	569.606276	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+2H"	2.014552
"1041974"	190.540276	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2H"	2.014552
"209878"	253.717942666667	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+3H"	3.021828
"650531"	380.073276	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+3H"	3.021828
"1171937"	127.362609333333	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+3H"	3.021828
"431926"	776.165823	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+NH4"	18.033823
"791832"	1155.231823	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+NH4"	18.033823
"1685975"	397.099823	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+NH4"	18.033823
"331700"	388.5865495	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+H+NH4"	19.041099
"723759"	578.1195495	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+H+NH4"	19.041099
"1479402"	199.0535495	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H+NH4"	19.041099
"398086"	781.121218	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+Na"	22.989218
"759088"	1160.187218	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+Na"	22.989218
"1609373"	402.055218	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Na"	22.989218
"321592"	391.064247	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+H+Na"	23.996494
"711830"	580.597247	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+H+Na"	23.996494
"1466743"	201.531247	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H+Na"	23.996494
"1065469"	134.689923333333	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2H+Na"	25.00377
"1267146"	412.099486	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+CH3OH+H"	33.033486
"386448"	797.095158	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+K"	38.963158
"749265"	1176.161158	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+K"	38.963158
"1550950"	418.029158	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+K"	38.963158
"309950"	399.051217	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+H+K"	39.970434
"698362"	588.584217	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+H+K"	39.970434
"1452183"	209.518217	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H+K"	39.970434
"236528"	800.165826	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+ACN+H"	42.033826
"1212396"	421.099826	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+ACN+H"	42.033826
"1196639"	211.053551	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+ACN+2H"	43.041102
"192790"	803.10316	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+2Na-H"	44.97116
"635272"	1182.16916	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+2Na-H"	44.97116
"1136592"	424.03716	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2Na-H"	44.97116
"180979"	402.055218	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+2Na"	45.978436
"626739"	591.588218	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+2Na"	45.978436
"1125145"	212.522218	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2Na"	45.978436
"1408667"	142.017237333333	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H+2Na"	46.985712
"1432398"	426.078746	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H+HCOOH"	47.012746
"222457"	407.08824	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+3H2O+2H"	56.04448
"1514167"	440.13079	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+IsoProp+H"	61.06479
"421511"	410.042188	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+Na+K"	61.952376
"781418"	599.575188	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+Na+K"	61.952376
"1675560"	220.509188	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Na+K"	61.952376
"263178"	822.147768	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+ACN+Na"	64.015768
"1236978"	443.081768	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+ACN+Na"	64.015768
"1722580"	443.105293	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+NH4+HCOOH"	64.039293
"1191220"	149.344551333333	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+3Na"	68.967654
"1658925"	448.060688	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Na+HCOOH"	68.994688
"163599"	835.05104	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+2K-H"	76.91904
"603158"	1214.11704	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+2K-H"	76.91904
"1089856"	455.98504	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2K-H"	76.91904
"147764"	418.029158	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"2M+2K"	77.926316
"588419"	607.562158	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"3M+2K"	77.926316
"1078036"	228.496158	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2K"	77.926316
"1107235"	457.999592	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2K+H"	78.933592
"1344713"	458.087207	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+DMSO+H"	79.021207
"1012149"	462.126376	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2ACN+H"	83.060376
"1528458"	463.120008	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+IsoProp+Na+H"	84.054008
"995632"	231.566826	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+2ACN+2H"	84.067652
"1597793"	464.034628	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+K+HCOOH"	84.968628
"1421266"	494.066138	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+H+CF3COOH"	115.000138
"1154834"	252.080101	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+3ACN+2H"	125.094202
"1704386"	511.092685	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+NH4+CF3COOH"	132.026685
"1642225"	516.04808	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+Na+CF3COOH"	136.98208
"1584437"	532.02202	"C11594"	"E3040 sulfate"	"C16H17N3O4S2"	"379.066"	"M+K+CF3COOH"	152.95602
"804960"	475.1413	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M"	0
"980680"	456.12291	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-H2O-H"	-19.01839
"71109"	315.753590666667	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M-3H"	-3.021828
"506293"	474.134024	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M-3H"	-3.021828
"888465"	157.373157333333	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-3H"	-3.021828
"5949"	474.134024	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M-2H"	-2.014552
"445508"	711.704674	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M-2H"	-2.014552
"823310"	236.563374	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-2H"	-2.014552
"83301"	949.275324	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M-H"	-1.007276
"526144"	1424.416624	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M-H"	-1.007276
"906133"	474.134024	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-H"	-1.007276
"53946"	966.301871	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M-2H+NH4"	16.019271
"494601"	1441.443171	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M-2H+NH4"	16.019271
"864669"	491.160571	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-2H+NH4"	16.019271
"34841"	971.257266	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M-2H+Na"	20.974666
"475496"	1446.398566	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M-2H+Na"	20.974666
"856583"	496.115966	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-2H+Na"	20.974666
"1621742"	496.115966	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Na-2H"	20.974666
"101550"	492.122363	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M-H+Cl"	33.962126
"538922"	729.693013	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M-H+Cl"	33.962126
"930618"	254.551713	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-H+Cl"	33.962126
"275370"	985.252002	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+Cl"	34.969402
"667064"	1460.393302	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+Cl"	34.969402
"1279102"	510.110702	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Cl"	34.969402
"24574"	987.231206	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M-2H+K"	36.948606
"463407"	1462.372506	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M-2H+K"	36.948606
"839024"	512.089906	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-2H+K"	36.948606
"1561419"	512.089906	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+K-2H"	36.948606
"950394"	520.139494	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-H+HCOOH"	44.998194
"370796"	995.280801	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+HCOOH-H"	44.998201
"353585"	1009.296451	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+Hac-H"	59.013851
"1501327"	534.155151	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Hac-H"	59.013851
"970330"	542.121451	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-H+NaCOOH"	66.980151
"117776"	510.110702	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+2Cl"	69.938804
"561346"	747.681352	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+2Cl"	69.938804
"1022851"	272.540052	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2Cl"	69.938804
"1242795"	554.060185	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Br"	78.918885
"1305363"	556.116172	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Cl+HCOOH"	80.974872
"1321283"	578.098129	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Cl+NaCOOH"	102.956829
"925356"	588.126886	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M-H+CF3COOH"	112.985586
"1302185"	624.103564	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Cl+CF3COOH"	148.962264
"1369778"	440.128624	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H-2H2O"	-35.012676
"1395661"	458.1386	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H-H2O"	-17.0027
"286597"	951.289876	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+H"	1.007276
"677929"	1426.431176	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+H"	1.007276
"1355373"	476.148576	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H"	1.007276
"126802"	476.148576	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+2H"	2.014552
"566363"	713.719226	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+2H"	2.014552
"1040265"	238.577926	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2H"	2.014552
"208894"	317.768142666667	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+3H"	3.021828
"650641"	476.148576	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+3H"	3.021828
"1170954"	159.387709333333	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+3H"	3.021828
"430945"	968.316423	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+NH4"	18.033823
"795223"	1443.457723	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+NH4"	18.033823
"1682439"	493.175123	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+NH4"	18.033823
"331445"	484.6618495	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+H+NH4"	19.041099
"723626"	722.2324995	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+H+NH4"	19.041099
"1479874"	247.0911995	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H+NH4"	19.041099
"399289"	973.271818	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+Na"	22.989218
"760290"	1448.413118	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+Na"	22.989218
"1611669"	498.130518	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Na"	22.989218
"320612"	487.139547	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+H+Na"	23.996494
"710847"	724.710197	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+H+Na"	23.996494
"1463572"	249.568897	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H+Na"	23.996494
"1066673"	166.715023333333	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2H+Na"	25.00377
"1267985"	508.174786	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+CH3OH+H"	33.033486
"385827"	989.245758	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+K"	38.963158
"751560"	1464.387058	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+K"	38.963158
"1545592"	514.104458	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+K"	38.963158
"310423"	495.126517	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+H+K"	39.970434
"694461"	732.697167	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+H+K"	39.970434
"1452293"	257.555867	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H+K"	39.970434
"239797"	992.316426	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+ACN+H"	42.033826
"1214693"	517.175126	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+ACN+H"	42.033826
"1196387"	259.091201	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+ACN+2H"	43.041102
"191447"	995.25376	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+2Na-H"	44.97116
"635384"	1470.39506	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+2Na-H"	44.97116
"1136702"	520.11246	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2Na-H"	44.97116
"181089"	498.130518	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+2Na"	45.978436
"626486"	735.701168	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+2Na"	45.978436
"1127442"	260.559868	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2Na"	45.978436
"1410964"	174.042337333333	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H+2Na"	46.985712
"1436517"	522.154046	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H+HCOOH"	47.012746
"224391"	503.16354	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+3H2O+2H"	56.04448
"1514277"	536.20609	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+IsoProp+H"	61.06479
"421622"	506.117488	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+Na+K"	61.952376
"779340"	743.688138	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+Na+K"	61.952376
"1673482"	268.546838	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Na+K"	61.952376
"258909"	1014.298368	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+ACN+Na"	64.015768
"1233804"	539.157068	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+ACN+Na"	64.015768
"1723055"	539.180593	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+NH4+HCOOH"	64.039293
"1189145"	181.369651333333	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+3Na"	68.967654
"1655755"	544.135988	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Na+HCOOH"	68.994688
"165165"	1027.20164	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+2K-H"	76.91904
"603630"	1502.34294	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+2K-H"	76.91904
"1086683"	552.06034	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2K-H"	76.91904
"144594"	514.104458	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"2M+2K"	77.926316
"585249"	751.675108	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"3M+2K"	77.926316
"1071947"	276.533808	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2K"	77.926316
"1108074"	554.074892	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2K+H"	78.933592
"1345553"	554.162507	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+DMSO+H"	79.021207
"1007883"	558.201676	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2ACN+H"	83.060376
"1530389"	559.195308	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+IsoProp+Na+H"	84.054008
"996835"	279.604476	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+2ACN+2H"	84.067652
"1597903"	560.109928	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+K+HCOOH"	84.968628
"1424655"	590.141438	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+H+CF3COOH"	115.000138
"1154944"	300.117751	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+3ACN+2H"	125.094202
"1704496"	607.167985	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+NH4+CF3COOH"	132.026685
"1642335"	612.12338	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+Na+CF3COOH"	136.98208
"1584547"	628.09732	"C11595"	"E3040 glucuronide"	"C22H25N3O7S"	"475.1413"	"M+K+CF3COOH"	152.95602
"808350"	437.1984	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M"	0
"986257"	418.18001	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-H2O-H"	-19.01839
"74499"	290.458324	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M-3H"	-3.021828
"505673"	436.191124	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M-3H"	-3.021828
"885296"	144.725524	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-3H"	-3.021828
"6060"	436.191124	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M-2H"	-2.014552
"445618"	654.790324	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M-2H"	-2.014552
"821234"	217.591924	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-2H"	-2.014552
"81225"	873.389524	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M-H"	-1.007276
"526254"	1310.587924	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M-H"	-1.007276
"905148"	436.191124	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-H"	-1.007276
"55151"	890.416071	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M-2H+NH4"	16.019271
"492524"	1327.614471	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M-2H+NH4"	16.019271
"865103"	453.217671	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-2H+NH4"	16.019271
"34952"	895.371466	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M-2H+Na"	20.974666
"476699"	1332.569866	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M-2H+Na"	20.974666
"851225"	458.173066	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-2H+Na"	20.974666
"1624039"	458.173066	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Na-2H"	20.974666
"100566"	454.179463	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M-H+Cl"	33.962126
"540126"	672.778663	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M-H+Cl"	33.962126
"938017"	235.580263	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-H+Cl"	33.962126
"275480"	909.366202	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+Cl"	34.969402
"666810"	1346.564602	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+Cl"	34.969402
"1281401"	472.167802	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Cl"	34.969402
"25050"	911.345406	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M-2H+K"	36.948606
"465704"	1348.543806	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M-2H+K"	36.948606
"841320"	474.147006	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-2H+K"	36.948606
"1565903"	474.147006	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+K-2H"	36.948606
"950504"	482.196594	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-H+HCOOH"	44.998194
"367626"	919.395001	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+HCOOH-H"	44.998201
"356980"	933.410651	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+Hac-H"	59.013851
"1502529"	496.212251	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Hac-H"	59.013851
"971534"	504.178551	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-H+NaCOOH"	66.980151
"121897"	472.167802	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+2Cl"	69.938804
"561821"	690.767002	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+2Cl"	69.938804
"1024785"	253.568602	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2Cl"	69.938804
"1244729"	516.117285	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Br"	78.918885
"1305352"	518.173272	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Cl+HCOOH"	80.974872
"1321392"	540.155229	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Cl+NaCOOH"	102.956829
"925712"	550.183986	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M-H+CF3COOH"	112.985586
"1302666"	586.160664	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Cl+CF3COOH"	148.962264
"1373898"	402.185724	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H-2H2O"	-35.012676
"1394677"	420.1957	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H-H2O"	-17.0027
"293269"	875.404076	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+H"	1.007276
"676213"	1312.602476	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+H"	1.007276
"1353297"	438.205676	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H"	1.007276
"127639"	438.205676	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+2H"	2.014552
"566956"	656.804876	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+2H"	2.014552
"1040375"	219.606476	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2H"	2.014552
"207909"	292.472876	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+3H"	3.021828
"650751"	438.205676	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+3H"	3.021828
"1166325"	146.740076	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+3H"	3.021828
"432149"	892.430623	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+NH4"	18.033823
"793146"	1329.629023	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+NH4"	18.033823
"1684371"	455.232223	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+NH4"	18.033823
"332284"	446.7189495	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+H+NH4"	19.041099
"724221"	665.3181495	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+H+NH4"	19.041099
"1480713"	228.1197495	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H+NH4"	19.041099
"395027"	897.386018	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+Na"	22.989218
"760400"	1334.584418	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+Na"	22.989218
"1611779"	460.187618	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Na"	22.989218
"317442"	449.196647	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+H+Na"	23.996494
"710957"	667.795847	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+H+Na"	23.996494
"1464777"	230.597447	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H+Na"	23.996494
"1067882"	154.06739	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2H+Na"	25.00377
"1269189"	470.231886	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+CH3OH+H"	33.033486
"387396"	913.359958	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+K"	38.963158
"750941"	1350.558358	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+K"	38.963158
"1548982"	476.161558	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+K"	38.963158
"311626"	457.183617	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+H+K"	39.970434
"701862"	675.782817	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+H+K"	39.970434
"1452403"	238.584417	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H+K"	39.970434
"241001"	916.430626	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+ACN+H"	42.033826
"1216990"	479.232226	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+ACN+H"	42.033826
"1199780"	240.119751	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+ACN+2H"	43.041102
"192286"	919.36796	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+2Na-H"	44.97116
"635494"	1356.56636	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+2Na-H"	44.97116
"1134990"	482.16956	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2Na-H"	44.97116
"181199"	460.187618	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+2Na"	45.978436
"626232"	678.786818	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+2Na"	45.978436
"1127552"	241.588418	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2Na"	45.978436
"1411074"	161.394704	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H+2Na"	46.985712
"1437721"	484.211146	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H+HCOOH"	47.012746
"224499"	465.22064	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+3H2O+2H"	56.04448
"1512199"	498.26319	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+IsoProp+H"	61.06479
"412247"	468.174588	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+Na+K"	61.952376
"782369"	686.773788	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+Na+K"	61.952376
"1670677"	249.575388	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Na+K"	61.952376
"256104"	938.412568	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+ACN+Na"	64.015768
"1233185"	501.214168	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+ACN+Na"	64.015768
"1719886"	501.237693	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+NH4+HCOOH"	64.039293
"1185973"	168.722018	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+3Na"	68.967654
"1658779"	506.193088	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Na+HCOOH"	68.994688
"164182"	951.31584	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+2K-H"	76.91904
"603375"	1388.51424	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+2K-H"	76.91904
"1085821"	514.11744	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2K-H"	76.91904
"144704"	476.161558	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"2M+2K"	77.926316
"583171"	694.760758	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"3M+2K"	77.926316
"1070964"	257.562358	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2K"	77.926316
"1105268"	516.131992	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2K+H"	78.933592
"1340559"	516.219607	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+DMSO+H"	79.021207
"1006655"	520.258776	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2ACN+H"	83.060376
"1530495"	521.252408	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+IsoProp+Na+H"	84.054008
"989970"	260.633026	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+2ACN+2H"	84.067652
"1594732"	522.167028	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+K+HCOOH"	84.968628
"1418203"	552.198538	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+H+CF3COOH"	115.000138
"1152867"	281.146301	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+3ACN+2H"	125.094202
"1704606"	569.225085	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+NH4+CF3COOH"	132.026685
"1641352"	574.18048	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+Na+CF3COOH"	136.98208
"1584657"	590.15442	"C11596"	"FMLP;N-Formyl-L-methionyl-L-leucyl-L-phenylalanine"	"C21H31N3O5S"	"437.1984"	"M+K+CF3COOH"	152.95602
"808460"	535.1966	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M"	0
"987460"	516.17821	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-H2O-H"	-19.01839
"72422"	355.790457333333	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M-3H"	-3.021828
"505419"	534.189324	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M-3H"	-3.021828
"886499"	177.391590666667	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-3H"	-3.021828
"2890"	534.189324	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M-2H"	-2.014552
"444636"	801.787624	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M-2H"	-2.014552
"821345"	266.591024	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-2H"	-2.014552
"83523"	1069.385924	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M-H"	-1.007276
"525272"	1604.582524	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M-H"	-1.007276
"904166"	534.189324	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-H"	-1.007276
"57448"	1086.412471	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M-2H+NH4"	16.019271
"494823"	1621.609071	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M-2H+NH4"	16.019271
"867163"	551.215871	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-2H+NH4"	16.019271
"36155"	1091.367866	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M-2H+Na"	20.974666
"477903"	1626.564466	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M-2H+Na"	20.974666
"862269"	556.171266	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-2H+Na"	20.974666
"1630708"	556.171266	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Na-2H"	20.974666
"103956"	552.177663	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M-H+Cl"	33.962126
"544608"	819.775963	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M-H+Cl"	33.962126
"942138"	284.579363	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-H+Cl"	33.962126
"279965"	1105.362602	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+Cl"	34.969402
"669108"	1640.559202	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+Cl"	34.969402
"1280417"	570.166002	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Cl"	34.969402
"24068"	1107.341806	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M-2H+K"	36.948606
"466907"	1642.538406	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M-2H+K"	36.948606
"842523"	572.145206	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-2H+K"	36.948606
"1563826"	572.145206	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+K-2H"	36.948606
"952801"	580.194794	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-H+HCOOH"	44.998194
"371018"	1115.391401	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+HCOOH-H"	44.998201
"357453"	1129.407051	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+Hac-H"	59.013851
"1502639"	594.210451	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Hac-H"	59.013851
"971643"	602.176751	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-H+NaCOOH"	66.980151
"124559"	570.166002	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+2Cl"	69.938804
"560838"	837.764302	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+2Cl"	69.938804
"1036200"	302.567702	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2Cl"	69.938804
"1254683"	614.115485	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Br"	78.918885
"1306193"	616.171472	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Cl+HCOOH"	80.974872
"1322596"	638.153429	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Cl+NaCOOH"	102.956829
"926865"	648.182186	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M-H+CF3COOH"	112.985586
"1303746"	684.158864	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Cl+CF3COOH"	148.962264
"1375101"	500.183924	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H-2H2O"	-35.012676
"1392600"	518.1939	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H-H2O"	-17.0027
"292285"	1071.400476	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+H"	1.007276
"679241"	1606.597076	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+H"	1.007276
"1353772"	536.203876	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H"	1.007276
"128479"	536.203876	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+2H"	2.014552
"568769"	803.802176	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+2H"	2.014552
"1042672"	268.605576	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2H"	2.014552
"208748"	357.805009333333	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+3H"	3.021828
"651954"	536.203876	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+3H"	3.021828
"1170081"	179.406142666667	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+3H"	3.021828
"434447"	1088.427023	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+NH4"	18.033823
"797627"	1623.623623	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+NH4"	18.033823
"1692865"	553.230423	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+NH4"	18.033823
"332761"	544.7171495	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+H+NH4"	19.041099
"726276"	812.3154495	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+H+NH4"	19.041099
"1481916"	277.1188495	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H+NH4"	19.041099
"394771"	1093.382418	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+Na"	22.989218
"760510"	1628.579018	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+Na"	22.989218
"1612983"	558.185818	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Na"	22.989218
"317552"	547.194847	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+H+Na"	23.996494
"711067"	814.793147	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+H+Na"	23.996494
"1464887"	279.596547	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H+Na"	23.996494
"1063601"	186.733456666667	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2H+Na"	25.00377
"1271119"	568.230086	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+CH3OH+H"	33.033486
"387868"	1109.356358	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+K"	38.963158
"749228"	1644.552958	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+K"	38.963158
"1545812"	574.159758	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+K"	38.963158
"305176"	555.181817	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+H+K"	39.970434
"700878"	822.780117	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+H+K"	39.970434
"1455792"	287.583517	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H+K"	39.970434
"243298"	1112.427026	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+ACN+H"	42.033826
"1217100"	577.230426	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+ACN+H"	42.033826
"1203170"	289.118851	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+ACN+2H"	43.041102
"194948"	1115.36436	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+2Na-H"	44.97116
"633417"	1650.56096	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+2Na-H"	44.97116
"1135828"	580.16776	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2Na-H"	44.97116
"184589"	558.185818	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+2Na"	45.978436
"627435"	825.784118	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+2Na"	45.978436
"1129124"	290.587518	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2Na"	45.978436
"1412277"	194.060770666667	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H+2Na"	46.985712
"1438925"	582.209346	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H+HCOOH"	47.012746
"227524"	563.21884	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+3H2O+2H"	56.04448
"1514497"	596.26139	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+IsoProp+H"	61.06479
"416366"	566.172788	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+Na+K"	61.952376
"777374"	833.771088	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+Na+K"	61.952376
"1671151"	298.574488	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Na+K"	61.952376
"257307"	1134.408968	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+ACN+Na"	64.015768
"1232929"	599.212368	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+ACN+Na"	64.015768
"1720723"	599.235893	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+NH4+HCOOH"	64.039293
"1186080"	201.388084666667	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+3Na"	68.967654
"1658157"	604.191288	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Na+HCOOH"	68.994688
"165019"	1147.31224	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+2K-H"	76.91904
"602392"	1682.50884	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+2K-H"	76.91904
"1086172"	612.11564	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2K-H"	76.91904
"144814"	574.159758	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"2M+2K"	77.926316
"585468"	841.758058	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"3M+2K"	77.926316
"1070462"	306.561458	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2K"	77.926316
"1107564"	614.130192	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2K+H"	78.933592
"1341762"	614.217807	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+DMSO+H"	79.021207
"1007495"	618.256976	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2ACN+H"	83.060376
"1530605"	619.250608	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+IsoProp+Na+H"	84.054008
"991583"	309.632126	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+2ACN+2H"	84.067652
"1592656"	620.165228	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+K+HCOOH"	84.968628
"1419406"	650.196738	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+H+CF3COOH"	115.000138
"1150790"	330.145401	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+3ACN+2H"	125.094202
"1703623"	667.223285	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+NH4+CF3COOH"	132.026685
"1640369"	672.17868	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+Na+CF3COOH"	136.98208
"1584767"	688.15262	"C11597"	"Grepafloxacin glucuronide;Grepafloxacin 3-glucuronide"	"C25H30FN3O9"	"535.1966"	"M+K+CF3COOH"	152.95602
"805290"	68.9981	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M"	0
"982103"	49.97971	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-H2O-H"	-19.01839
"73625"	44.9914573333333	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M-3H"	-3.021828
"505529"	67.990824	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M-3H"	-3.021828
"884423"	21.9920906666667	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-3H"	-3.021828
"3000"	67.990824	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M-2H"	-2.014552
"442559"	102.489874	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M-2H"	-2.014552
"820362"	33.491774	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-2H"	-2.014552
"81446"	136.988924	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M-H"	-1.007276
"523196"	205.987024	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M-H"	-1.007276
"900996"	67.990824	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-H"	-1.007276
"54277"	154.015471	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M-2H+NH4"	16.019271
"491651"	223.013571	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M-2H+NH4"	16.019271
"868366"	85.017371	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-2H+NH4"	16.019271
"36265"	158.970866	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M-2H+Na"	20.974666
"478013"	227.968966	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M-2H+Na"	20.974666
"861286"	89.972766	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-2H+Na"	20.974666
"1630819"	89.972766	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Na-2H"	20.974666
"102973"	85.979163	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M-H+Cl"	33.962126
"541439"	120.478213	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M-H+Cl"	33.962126
"931674"	51.480113	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-H+Cl"	33.962126
"281168"	172.965602	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+Cl"	34.969402
"667031"	241.963702	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+Cl"	34.969402
"1280527"	103.967502	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Cl"	34.969402
"26364"	174.944806	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M-2H+K"	36.948606
"469570"	243.942906	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M-2H+K"	36.948606
"844819"	105.946706	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-2H+K"	36.948606
"1567946"	105.946706	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+K-2H"	36.948606
"956558"	113.996294	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-H+HCOOH"	44.998194
"373314"	182.994401	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+HCOOH-H"	44.998201
"359385"	197.010051	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+Hac-H"	59.013851
"1505301"	128.011951	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Hac-H"	59.013851
"971753"	135.978251	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-H+NaCOOH"	66.980151
"122483"	103.967502	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+2Cl"	69.938804
"555479"	138.466552	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+2Cl"	69.938804
"1031933"	69.468452	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2Cl"	69.938804
"1252605"	147.916985	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Br"	78.918885
"1317969"	149.972972	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Cl+HCOOH"	80.974872
"1324895"	171.954929	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Cl+NaCOOH"	102.956829
"926743"	181.983686	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M-H+CF3COOH"	112.985586
"1302160"	217.960364	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Cl+CF3COOH"	148.962264
"1376305"	33.985424	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H-2H2O"	-35.012676
"1394897"	51.9954	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H-H2O"	-17.0027
"291302"	139.003476	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+H"	1.007276
"677166"	208.001576	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+H"	1.007276
"1354246"	70.005376	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H"	1.007276
"127860"	70.005376	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+2H"	2.014552
"568150"	104.504426	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+2H"	2.014552
"1042782"	35.506326	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2H"	2.014552
"209953"	47.0060093333333	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+3H"	3.021828
"652064"	70.005376	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+3H"	3.021828
"1170191"	24.0066426666667	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+3H"	3.021828
"434557"	156.030023	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+NH4"	18.033823
"796644"	225.028123	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+NH4"	18.033823
"1691882"	87.031923	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+NH4"	18.033823
"332505"	78.5186495	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+H+NH4"	19.041099
"727478"	113.0176995	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+H+NH4"	19.041099
"1479475"	44.0195995	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H+NH4"	19.041099
"394153"	160.985418	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+Na"	22.989218
"757340"	229.983518	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+Na"	22.989218
"1610907"	91.987318	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Na"	22.989218
"317662"	80.996347	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+H+Na"	23.996494
"711177"	115.495397	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+H+Na"	23.996494
"1463904"	46.497297	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H+Na"	23.996494
"1063711"	31.3339566666667	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2H+Na"	25.00377
"1270864"	102.031586	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+CH3OH+H"	33.033486
"388342"	176.959358	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+K"	38.963158
"747152"	245.957458	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+K"	38.963158
"1547015"	107.961258	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+K"	38.963158
"305286"	88.983317	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+H+K"	39.970434
"700988"	123.482367	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+H+K"	39.970434
"1451528"	54.484267	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H+K"	39.970434
"242314"	180.030026	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+ACN+H"	42.033826
"1215021"	111.031926	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+ACN+H"	42.033826
"1203280"	56.019601	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+ACN+2H"	43.041102
"192142"	182.96736	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+2Na-H"	44.97116
"633527"	251.96546	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+2Na-H"	44.97116
"1136303"	113.96926	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2Na-H"	44.97116
"184699"	91.987318	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+2Na"	45.978436
"625357"	126.486368	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+2Na"	45.978436
"1130205"	57.488268	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2Na"	45.978436
"1411294"	38.6612706666667	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H+2Na"	46.985712
"1437942"	116.010846	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H+HCOOH"	47.012746
"226541"	97.02034	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+3H2O+2H"	56.04448
"1513149"	130.06289	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+IsoProp+H"	61.06479
"414289"	99.974288	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+Na+K"	61.952376
"778578"	134.473338	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+Na+K"	61.952376
"1670168"	65.475238	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Na+K"	61.952376
"255960"	202.011968	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+ACN+Na"	64.015768
"1231946"	133.013868	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+ACN+Na"	64.015768
"1719740"	133.037393	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+NH4+HCOOH"	64.039293
"1185095"	45.9885846666667	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+3Na"	68.967654
"1657174"	137.992788	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Na+HCOOH"	68.994688
"162942"	214.91524	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+2K-H"	76.91904
"598126"	283.91334	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+2K-H"	76.91904
"1084822"	145.91714	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2K-H"	76.91904
"142490"	107.961258	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"2M+2K"	77.926316
"581930"	142.460308	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"3M+2K"	77.926316
"1069844"	73.462208	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2K"	77.926316
"1104395"	147.931692	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2K+H"	78.933592
"1339686"	148.019307	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+DMSO+H"	79.021207
"1009306"	152.058476	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2ACN+H"	83.060376
"1529622"	153.052108	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+IsoProp+Na+H"	84.054008
"992786"	76.532876	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+2ACN+2H"	84.067652
"1592766"	153.966728	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+K+HCOOH"	84.968628
"1418423"	183.998238	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+H+CF3COOH"	115.000138
"1150901"	97.046151	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+3ACN+2H"	125.094202
"1703733"	201.024785	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+NH4+CF3COOH"	132.026685
"1640479"	205.98018	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+Na+CF3COOH"	136.98208
"1584877"	221.95412	"C11598"	"Hydroxylamine hydrochloride"	"HClNH3O"	"68.9981"	"M+K+CF3COOH"	152.95602
"808680"	630.0432	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M"	0
"985493"	611.02481	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-H2O-H"	-19.01839
"73735"	419.021524	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M-3H"	-3.021828
"508921"	629.035924	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M-3H"	-3.021828
"886722"	209.007124	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-3H"	-3.021828
"4203"	629.035924	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M-2H"	-2.014552
"442671"	944.057524	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M-2H"	-2.014552
"820474"	314.014324	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-2H"	-2.014552
"83016"	1259.079124	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M-H"	-1.007276
"523307"	1889.122324	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M-H"	-1.007276
"902202"	629.035924	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-H"	-1.007276
"53295"	1276.105671	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M-2H+NH4"	16.019271
"495043"	1906.148871	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M-2H+NH4"	16.019271
"867383"	646.062471	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-2H+NH4"	16.019271
"40750"	1281.061066	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M-2H+Na"	20.974666
"479216"	1911.104266	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M-2H+Na"	20.974666
"860301"	651.017866	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-2H+Na"	20.974666
"1626553"	651.017866	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Na-2H"	20.974666
"104177"	647.024263	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M-H+Cl"	33.962126
"544829"	962.045863	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M-H+Cl"	33.962126
"935064"	332.002663	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-H+Cl"	33.962126
"277997"	1295.055802	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+Cl"	34.969402
"668231"	1925.099002	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+Cl"	34.969402
"1279544"	665.012602	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Cl"	34.969402
"27566"	1297.035006	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M-2H+K"	36.948606
"463847"	1927.078206	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M-2H+K"	36.948606
"839464"	666.991806	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-2H+K"	36.948606
"1565138"	666.991806	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+K-2H"	36.948606
"955207"	675.041394	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-H+HCOOH"	44.998194
"371237"	1305.084601	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+HCOOH-H"	44.998201
"356213"	1319.100251	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+Hac-H"	59.013851
"1501764"	689.057051	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Hac-H"	59.013851
"962746"	697.023351	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-H+NaCOOH"	66.980151
"118214"	665.012602	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+2Cl"	69.938804
"553765"	980.034202	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+2Cl"	69.938804
"1024753"	349.991002	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2Cl"	69.938804
"1242751"	708.962085	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Br"	78.918885
"1308603"	711.018072	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Cl+HCOOH"	80.974872
"1322086"	733.000029	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Cl+NaCOOH"	102.956829
"921175"	743.028786	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M-H+CF3COOH"	112.985586
"1302263"	779.005464	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Cl+CF3COOH"	148.962264
"1379696"	595.030524	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H-2H2O"	-35.012676
"1391726"	613.0405	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H-H2O"	-17.0027
"294692"	1261.093676	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+H"	1.007276
"680556"	1891.136876	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+H"	1.007276
"1356908"	631.050476	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H"	1.007276
"128700"	631.050476	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+2H"	2.014552
"568987"	946.072076	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+2H"	2.014552
"1041434"	316.028876	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2H"	2.014552
"212615"	421.036076	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+3H"	3.021828
"654361"	631.050476	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+3H"	3.021828
"1175407"	211.021676	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+3H"	3.021828
"436734"	1278.120223	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+NH4"	18.033823
"797848"	1908.163423	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+NH4"	18.033823
"1693088"	648.077023	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+NH4"	18.033823
"333344"	639.5637495	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+H+NH4"	19.041099
"726132"	954.5853495	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+H+NH4"	19.041099
"1482138"	324.5421495	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H+NH4"	19.041099
"395359"	1283.075618	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+Na"	22.989218
"754317"	1913.118818	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+Na"	22.989218
"1606642"	653.032418	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Na"	22.989218
"317772"	642.041447	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+H+Na"	23.996494
"709100"	957.063047	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+H+Na"	23.996494
"1461821"	327.019847	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H+Na"	23.996494
"1053980"	218.34899	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2H+Na"	25.00377
"1265501"	663.076686	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+CH3OH+H"	33.033486
"388455"	1299.049558	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+K"	38.963158
"747262"	1929.092758	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+K"	38.963158
"1543845"	669.006358	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+K"	38.963158
"305396"	650.028417	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+H+K"	39.970434
"702192"	965.050017	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+H+K"	39.970434
"1456013"	335.006817	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H+K"	39.970434
"242425"	1302.120226	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+ACN+H"	42.033826
"1216223"	672.077026	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+ACN+H"	42.033826
"1201204"	336.542151	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+ACN+2H"	43.041102
"195167"	1305.05756	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+2Na-H"	44.97116
"632908"	1935.10076	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+2Na-H"	44.97116
"1137142"	675.01436	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2Na-H"	44.97116
"184809"	653.032418	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+2Na"	45.978436
"626811"	968.054018	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+2Na"	45.978436
"1129343"	338.010818	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2Na"	45.978436
"1412501"	225.676304	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H+2Na"	46.985712
"1436959"	677.055946	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H+HCOOH"	47.012746
"234553"	658.06544	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+3H2O+2H"	56.04448
"1516902"	691.10799	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+IsoProp+H"	61.06479
"415492"	661.019388	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+Na+K"	61.952376
"775409"	976.040988	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+Na+K"	61.952376
"1672833"	345.997788	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Na+K"	61.952376
"256070"	1324.102168	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+ACN+Na"	64.015768
"1231330"	694.058968	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+ACN+Na"	64.015768
"1722039"	694.082493	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+NH4+HCOOH"	64.039293
"1183384"	233.003618	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+3Na"	68.967654
"1657285"	699.037888	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Na+HCOOH"	68.994688
"161959"	1337.00544	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+2K-H"	76.91904
"599331"	1967.04864	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+2K-H"	76.91904
"1084730"	706.96224	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2K-H"	76.91904
"142357"	669.006358	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"2M+2K"	77.926316
"582768"	984.027958	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"3M+2K"	77.926316
"1071288"	353.984758	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2K"	77.926316
"1104505"	708.976792	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2K+H"	78.933592
"1338700"	709.064407	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+DMSO+H"	79.021207
"1006254"	713.103576	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2ACN+H"	83.060376
"1529732"	714.097208	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+IsoProp+Na+H"	84.054008
"993989"	357.055426	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+2ACN+2H"	84.067652
"1589597"	715.011828	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+K+HCOOH"	84.968628
"1418533"	745.043338	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+H+CF3COOH"	115.000138
"1149918"	377.568701	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+3ACN+2H"	125.094202
"1698373"	762.069885	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+NH4+CF3COOH"	132.026685
"1643869"	767.02528	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+Na+CF3COOH"	136.98208
"1584987"	782.99922	"C11599"	"IAARh123;125IIodoaryl azido-rhodamine 123"	"C28H19IN5O5"	"630.0432"	"M+K+CF3COOH"	152.95602
"805510"	596.1191	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M"	0
"985603"	577.10071	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-H2O-H"	-19.01839
"76034"	396.405457333333	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M-3H"	-3.021828
"518376"	595.111824	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M-3H"	-3.021828
"892301"	197.699090666667	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-3H"	-3.021828
"7594"	595.111824	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M-2H"	-2.014552
"447154"	893.171374	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M-2H"	-2.014552
"822771"	297.052274	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-2H"	-2.014552
"90417"	1191.230924	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M-H"	-1.007276
"527791"	1787.350024	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M-H"	-1.007276
"906687"	595.111824	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-H"	-1.007276
"59968"	1208.257471	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M-2H+NH4"	16.019271
"497340"	1804.376571	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M-2H+NH4"	16.019271
"867492"	612.138371	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-2H+NH4"	16.019271
"37579"	1213.212866	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M-2H+Na"	20.974666
"479326"	1809.331966	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M-2H+Na"	20.974666
"860411"	617.093766	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-2H+Na"	20.974666
"1624476"	617.093766	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Na-2H"	20.974666
"102100"	613.100163	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M-H+Cl"	33.962126
"541658"	911.159713	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M-H+Cl"	33.962126
"932987"	315.040613	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-H+Cl"	33.962126
"281266"	1227.207602	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+Cl"	34.969402
"672716"	1823.326702	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+Cl"	34.969402
"1280747"	631.088502	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Cl"	34.969402
"23303"	1229.186806	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M-2H+K"	36.948606
"463958"	1825.305906	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M-2H+K"	36.948606
"836294"	633.067706	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-2H+K"	36.948606
"1561970"	633.067706	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+K-2H"	36.948606
"952040"	641.117294	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-H+HCOOH"	44.998194
"368067"	1237.236401	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+HCOOH-H"	44.998201
"356324"	1251.252051	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+Hac-H"	59.013851
"1500782"	655.132951	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Hac-H"	59.013851
"966137"	663.099251	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-H+NaCOOH"	66.980151
"116139"	631.088502	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+2Cl"	69.938804
"557886"	929.148052	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+2Cl"	69.938804
"1024497"	333.028952	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2Cl"	69.938804
"1244440"	675.037985	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Br"	78.918885
"1308348"	677.093972	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Cl+HCOOH"	80.974872
"1320021"	699.075929	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Cl+NaCOOH"	102.956829
"919462"	709.104686	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M-H+CF3COOH"	112.985586
"1295076"	745.081364	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Cl+CF3COOH"	148.962264
"1380901"	561.106424	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H-2H2O"	-35.012676
"1395116"	579.1164	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H-H2O"	-17.0027
"293709"	1193.245476	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+H"	1.007276
"678479"	1789.364576	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+H"	1.007276
"1357018"	597.126376	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H"	1.007276
"128446"	597.126376	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+2H"	2.014552
"568731"	895.185926	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+2H"	2.014552
"1041541"	299.066826	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2H"	2.014552
"211266"	398.420009333333	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+3H"	3.021828
"654471"	597.126376	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+3H"	3.021828
"1171506"	199.713642666667	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+3H"	3.021828
"436965"	1210.272023	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+NH4"	18.033823
"797961"	1806.391123	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+NH4"	18.033823
"1693197"	614.152923	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+NH4"	18.033823
"332724"	605.6396495	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+H+NH4"	19.041099
"727702"	903.6991995	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+H+NH4"	19.041099
"1480791"	307.5800995	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H+NH4"	19.041099
"395468"	1215.227418	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+Na"	22.989218
"756466"	1811.346518	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+Na"	22.989218
"1610034"	619.108318	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Na"	22.989218
"315695"	608.117347	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+H+Na"	23.996494
"709209"	906.176897	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+H+Na"	23.996494
"1463021"	310.057797	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H+Na"	23.996494
"1054090"	207.040956666667	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2H+Na"	25.00377
"1257341"	629.152586	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+CH3OH+H"	33.033486
"378354"	1231.201358	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+K"	38.963158
"745184"	1827.320458	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+K"	38.963158
"1541768"	635.082258	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+K"	38.963158
"305506"	616.104317	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+H+K"	39.970434
"702302"	914.163867	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+H+K"	39.970434
"1455030"	318.044767	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H+K"	39.970434
"241442"	1234.272026	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+ACN+H"	42.033826
"1214147"	638.152926	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+ACN+H"	42.033826
"1200221"	319.580101	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+ACN+2H"	43.041102
"192362"	1237.20936	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+2Na-H"	44.97116
"632654"	1833.32846	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+2Na-H"	44.97116
"1135066"	641.09026	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2Na-H"	44.97116
"184919"	619.108318	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+2Na"	45.978436
"627161"	917.167868	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+2Na"	45.978436
"1125805"	321.048768	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2Na"	45.978436
"1411759"	214.368270666667	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H+2Na"	46.985712
"1434884"	643.131846	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H+HCOOH"	47.012746
"227854"	624.14134	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+3H2O+2H"	56.04448
"1513730"	657.18389	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+IsoProp+H"	61.06479
"413051"	627.095288	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+Na+K"	61.952376
"777707"	925.154838	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+Na+K"	61.952376
"1674764"	329.035738	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Na+K"	61.952376
"256180"	1256.253968	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+ACN+Na"	64.015768
"1232166"	660.134868	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+ACN+Na"	64.015768
"1718867"	660.158393	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+NH4+HCOOH"	64.039293
"1182402"	221.695584666667	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+3Na"	68.967654
"1654116"	665.113788	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Na+HCOOH"	68.994688
"160974"	1269.15724	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+2K-H"	76.91904
"600534"	1865.27634	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+2K-H"	76.91904
"1086138"	673.03814	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2K-H"	76.91904
"147322"	635.082258	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"2M+2K"	77.926316
"583609"	933.141808	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"3M+2K"	77.926316
"1072492"	337.022708	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2K"	77.926316
"1104615"	675.052692	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2K+H"	78.933592
"1336988"	675.140307	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+DMSO+H"	79.021207
"1008433"	679.179476	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2ACN+H"	83.060376
"1530936"	680.173108	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+IsoProp+Na+H"	84.054008
"995196"	340.093376	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+2ACN+2H"	84.067652
"1592981"	681.087728	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+K+HCOOH"	84.968628
"1418642"	711.119238	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+H+CF3COOH"	115.000138
"1150028"	360.606651	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+3ACN+2H"	125.094202
"1698119"	728.145785	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+NH4+CF3COOH"	132.026685
"1643979"	733.10118	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+Na+CF3COOH"	136.98208
"1585097"	749.07512	"C11600"	"IACI;N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide"	"C26H27IN6O3"	"596.1191"	"M+K+CF3COOH"	152.95602
"812181"	434.1067	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M"	0
"982433"	415.08831	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-H2O-H"	-19.01839
"77726"	288.397190666667	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M-3H"	-3.021828
"517976"	433.099424	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M-3H"	-3.021828
"894600"	143.694957333333	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-3H"	-3.021828
"7706"	433.099424	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M-2H"	-2.014552
"442892"	650.152774	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M-2H"	-2.014552
"828349"	216.046074	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-2H"	-2.014552
"90527"	867.206124	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M-H"	-1.007276
"527901"	1301.312824	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M-H"	-1.007276
"908256"	433.099424	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-H"	-1.007276
"58622"	884.232671	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M-2H+NH4"	16.019271
"497450"	1318.339371	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M-2H+NH4"	16.019271
"869788"	450.125971	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-2H+NH4"	16.019271
"35503"	889.188066	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M-2H+Na"	20.974666
"480530"	1323.294766	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M-2H+Na"	20.974666
"857241"	455.081366	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-2H+Na"	20.974666
"1625679"	455.081366	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Na-2H"	20.974666
"102210"	451.087763	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M-H+Cl"	33.962126
"541769"	668.141113	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M-H+Cl"	33.962126
"935284"	234.034413	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-H+Cl"	33.962126
"279310"	903.182802	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+Cl"	34.969402
"673557"	1337.289502	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+Cl"	34.969402
"1281951"	469.076102	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Cl"	34.969402
"23415"	905.162006	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M-2H+K"	36.948606
"466254"	1339.268706	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M-2H+K"	36.948606
"838591"	471.055306	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-2H+K"	36.948606
"1562080"	471.055306	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+K-2H"	36.948606
"952150"	479.104894	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-H+HCOOH"	44.998194
"372550"	913.211601	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+HCOOH-H"	44.998201
"357527"	927.227251	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+Hac-H"	59.013851
"1500892"	493.120551	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Hac-H"	59.013851
"964062"	501.086851	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-H+NaCOOH"	66.980151
"117342"	469.076102	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+2Cl"	69.938804
"554715"	686.129452	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+2Cl"	69.938804
"1026796"	252.022752	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2Cl"	69.938804
"1243094"	513.025585	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Br"	78.918885
"1308824"	515.081572	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Cl+HCOOH"	80.974872
"1324129"	537.063529	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Cl+NaCOOH"	102.956829
"916290"	547.092286	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M-H+CF3COOH"	112.985586
"1289717"	583.068964	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Cl+CF3COOH"	148.962264
"1382468"	399.094024	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H-2H2O"	-35.012676
"1398385"	417.104	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H-H2O"	-17.0027
"293819"	869.220676	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+H"	1.007276
"689156"	1303.327376	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+H"	1.007276
"1365504"	435.113976	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H"	1.007276
"127097"	435.113976	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+2H"	2.014552
"567021"	652.167326	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+2H"	2.014552
"1040194"	218.060626	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2H"	2.014552
"210283"	290.411742666667	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+3H"	3.021828
"654582"	435.113976	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+3H"	3.021828
"1171617"	145.709509333333	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+3H"	3.021828
"432335"	886.247223	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+NH4"	18.033823
"790049"	1320.353923	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+NH4"	18.033823
"1687841"	452.140523	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+NH4"	18.033823
"332106"	443.6272495	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+H+NH4"	19.041099
"724162"	660.6805995	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+H+NH4"	19.041099
"1480537"	226.5738995	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H+NH4"	19.041099
"394485"	891.202618	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+Na"	22.989218
"760951"	1325.309318	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+Na"	22.989218
"1611237"	457.095918	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Na"	22.989218
"316169"	446.104947	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+H+Na"	23.996494
"710412"	663.158297	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+H+Na"	23.996494
"1463496"	229.051597	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H+Na"	23.996494
"1053592"	153.036823333333	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2H+Na"	25.00377
"1257455"	467.140186	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+CH3OH+H"	33.033486
"378585"	907.176558	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+K"	38.963158
"746387"	1341.283258	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+K"	38.963158
"1541513"	473.069858	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+K"	38.963158
"305616"	454.091917	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+H+K"	39.970434
"695849"	671.145267	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+H+K"	39.970434
"1450763"	237.038567	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H+K"	39.970434
"241547"	910.247226	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+ACN+H"	42.033826
"1216441"	476.140526	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+ACN+H"	42.033826
"1200327"	238.573901	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+ACN+2H"	43.041102
"194294"	913.18456	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+2Na-H"	44.97116
"634950"	1347.29126	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+2Na-H"	44.97116
"1135540"	479.07786	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2Na-H"	44.97116
"181749"	457.095918	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+2Na"	45.978436
"627271"	674.149268	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+2Na"	45.978436
"1125915"	240.042568	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2Na"	45.978436
"1412233"	160.364137333333	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H+2Na"	46.985712
"1436088"	481.119446	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H+HCOOH"	47.012746
"225780"	462.12894	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+3H2O+2H"	56.04448
"1516027"	495.17149	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+IsoProp+H"	61.06479
"414254"	465.082888	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+Na+K"	61.952376
"778906"	682.136238	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+Na+K"	61.952376
"1673051"	248.029538	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Na+K"	61.952376
"256290"	932.229168	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+ACN+Na"	64.015768
"1233369"	498.122468	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+ACN+Na"	64.015768
"1718976"	498.145993	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+NH4+HCOOH"	64.039293
"1182147"	167.691451333333	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+3Na"	68.967654
"1652039"	503.101388	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Na+HCOOH"	68.994688
"161084"	945.13244	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+2K-H"	76.91904
"598092"	1379.23914	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+2K-H"	76.91904
"1087339"	511.02574	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2K-H"	76.91904
"147433"	473.069858	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"2M+2K"	77.926316
"581569"	690.123208	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"3M+2K"	77.926316
"1072602"	256.016508	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2K"	77.926316
"1103632"	513.040292	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2K+H"	78.933592
"1336611"	513.127907	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+DMSO+H"	79.021207
"1010729"	517.167076	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2ACN+H"	83.060376
"1531045"	518.160708	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+IsoProp+Na+H"	84.054008
"995307"	259.087176	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+2ACN+2H"	84.067652
"1595278"	519.075328	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+K+HCOOH"	84.968628
"1418752"	549.106838	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+H+CF3COOH"	115.000138
"1149045"	279.600451	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+3ACN+2H"	125.094202
"1698229"	566.133385	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+NH4+CF3COOH"	132.026685
"1644089"	571.08878	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+Na+CF3COOH"	136.98208
"1575366"	587.06272	"C11601"	"LDS-751"	"C21H23N2SO4Cl"	"434.1067"	"M+K+CF3COOH"	152.95602
"802450"	446.243	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M"	0
"982543"	427.22461	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-H2O-H"	-19.01839
"77348"	296.488057333333	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M-3H"	-3.021828
"517637"	445.235724	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M-3H"	-3.021828
"895074"	147.740390666667	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-3H"	-3.021828
"7816"	445.235724	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M-2H"	-2.014552
"443002"	668.357224	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M-2H"	-2.014552
"829190"	222.114224	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-2H"	-2.014552
"89545"	891.478724	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M-H"	-1.007276
"531658"	1337.721724	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M-H"	-1.007276
"908732"	445.235724	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-H"	-1.007276
"58732"	908.505271	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M-2H+NH4"	16.019271
"497560"	1354.748271	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M-2H+NH4"	16.019271
"869899"	462.262271	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-2H+NH4"	16.019271
"36706"	913.460666	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M-2H+Na"	20.974666
"479546"	1359.703666	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M-2H+Na"	20.974666
"857351"	467.217666	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-2H+Na"	20.974666
"1624697"	467.217666	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Na-2H"	20.974666
"96851"	463.224063	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M-H+Cl"	33.962126
"538599"	686.345563	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M-H+Cl"	33.962126
"930290"	240.102563	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-H+Cl"	33.962126
"279421"	927.455402	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+Cl"	34.969402
"664188"	1373.698402	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+Cl"	34.969402
"1279874"	481.212402	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Cl"	34.969402
"23525"	929.434606	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M-2H+K"	36.948606
"460897"	1375.677606	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M-2H+K"	36.948606
"838701"	483.191606	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-2H+K"	36.948606
"1565469"	483.191606	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+K-2H"	36.948606
"953353"	491.241194	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-H+HCOOH"	44.998194
"372660"	937.484201	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+HCOOH-H"	44.998201
"357637"	951.499851	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+Hac-H"	59.013851
"1503188"	505.256851	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Hac-H"	59.013851
"961985"	513.223151	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-H+NaCOOH"	66.980151
"117452"	481.212402	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+2Cl"	69.938804
"558107"	704.333902	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+2Cl"	69.938804
"1026906"	258.090902	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2Cl"	69.938804
"1244296"	525.161885	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Br"	78.918885
"1307110"	527.217872	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Cl+HCOOH"	80.974872
"1321323"	549.199829	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Cl+NaCOOH"	102.956829
"915307"	559.228586	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M-H+CF3COOH"	112.985586
"1290191"	595.205264	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Cl+CF3COOH"	148.962264
"1368469"	411.230324	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H-2H2O"	-35.012676
"1384749"	429.2403	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H-H2O"	-17.0027
"284435"	893.493276	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+H"	1.007276
"688171"	1339.736276	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+H"	1.007276
"1365614"	447.250276	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H"	1.007276
"126840"	447.250276	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+2H"	2.014552
"567129"	670.371776	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+2H"	2.014552
"1039939"	224.128776	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2H"	2.014552
"212214"	298.502609333333	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+3H"	3.021828
"653597"	447.250276	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+3H"	3.021828
"1173911"	149.754942666667	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+3H"	3.021828
"431714"	910.519823	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+NH4"	18.033823
"795261"	1356.762823	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+NH4"	18.033823
"1691229"	464.276823	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+NH4"	18.033823
"331485"	455.7635495	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+H+NH4"	19.041099
"724147"	678.8850495	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+H+NH4"	19.041099
"1477851"	232.6420495	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H+NH4"	19.041099
"393501"	915.475218	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+Na"	22.989218
"755591"	1361.718218	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+Na"	22.989218
"1609158"	469.232218	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Na"	22.989218
"316278"	458.241247	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+H+Na"	23.996494
"707725"	681.362747	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+H+Na"	23.996494
"1463245"	235.119747	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H+Na"	23.996494
"1054308"	157.082256666667	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2H+Na"	25.00377
"1258174"	479.276486	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+CH3OH+H"	33.033486
"377961"	931.449158	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+K"	38.963158
"739688"	1377.692158	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+K"	38.963158
"1541620"	485.206158	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+K"	38.963158
"302446"	466.228217	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+H+K"	39.970434
"694865"	689.349717	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+H+K"	39.970434
"1449049"	243.106717	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H+K"	39.970434
"237649"	934.519826	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+ACN+H"	42.033826
"1213272"	488.276826	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+ACN+H"	42.033826
"1197154"	244.642051	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+ACN+2H"	43.041102
"192214"	937.45716	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+2Na-H"	44.97116
"632874"	1383.70016	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+2Na-H"	44.97116
"1135649"	491.21416	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2Na-H"	44.97116
"181859"	469.232218	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+2Na"	45.978436
"626771"	692.353718	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+2Na"	45.978436
"1123839"	246.110718	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2Na"	45.978436
"1407360"	164.409570666667	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H+2Na"	46.985712
"1436198"	493.255746	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H+HCOOH"	47.012746
"223704"	474.26524	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+3H2O+2H"	56.04448
"1516137"	507.30779	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+IsoProp+H"	61.06479
"420197"	477.219188	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+Na+K"	61.952376
"781205"	700.340688	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+Na+K"	61.952376
"1674255"	254.097688	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Na+K"	61.952376
"257493"	956.501768	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+ACN+Na"	64.015768
"1232386"	510.258768	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+ACN+Na"	64.015768
"1719087"	510.282293	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+NH4+HCOOH"	64.039293
"1180071"	171.736884666667	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+3Na"	68.967654
"1654336"	515.237688	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Na+HCOOH"	68.994688
"160101"	969.40504	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+2K-H"	76.91904
"599661"	1415.64804	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+2K-H"	76.91904
"1085748"	523.16204	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2K-H"	76.91904
"145358"	485.206158	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"2M+2K"	77.926316
"582368"	708.327658	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"3M+2K"	77.926316
"1069796"	262.084658	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2K"	77.926316
"1101064"	525.176592	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2K+H"	78.933592
"1336478"	525.264207	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+DMSO+H"	79.021207
"1008653"	529.303376	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2ACN+H"	83.060376
"1530062"	530.297008	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+IsoProp+Na+H"	84.054008
"995417"	265.155326	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+2ACN+2H"	84.067652
"1596481"	531.211628	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+K+HCOOH"	84.968628
"1419955"	561.243138	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+H+CF3COOH"	115.000138
"1149155"	285.668601	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+3ACN+2H"	125.094202
"1697611"	578.269685	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+NH4+CF3COOH"	132.026685
"1644199"	583.22508	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+Na+CF3COOH"	136.98208
"1575476"	599.19902	"C11602"	"MC-207110"	"C25H30N6O2"	"446.243"	"M+K+CF3COOH"	152.95602
"802560"	575.1817	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M"	0
"982653"	556.16331	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-H2O-H"	-19.01839
"77458"	382.447190666667	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M-3H"	-3.021828
"518378"	574.174424	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M-3H"	-3.021828
"895513"	190.719957333333	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-3H"	-3.021828
"6833"	574.174424	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M-2H"	-2.014552
"447486"	861.765274	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M-2H"	-2.014552
"829300"	286.583574	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-2H"	-2.014552
"90748"	1149.356124	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M-H"	-1.007276
"529945"	1724.537824	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M-H"	-1.007276
"909206"	574.174424	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-H"	-1.007276
"61393"	1166.382671	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M-2H+NH4"	16.019271
"494390"	1741.564371	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M-2H+NH4"	16.019271
"871103"	591.200971	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-2H+NH4"	16.019271
"35723"	1171.338066	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M-2H+Na"	20.974666
"476376"	1746.519766	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M-2H+Na"	20.974666
"860741"	596.156366	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-2H+Na"	20.974666
"1628087"	596.156366	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Na-2H"	20.974666
"100241"	592.162763	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M-H+Cl"	33.962126
"538709"	879.753613	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M-H+Cl"	33.962126
"932223"	304.571913	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-H+Cl"	33.962126
"279532"	1185.332802	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+Cl"	34.969402
"673046"	1760.514502	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+Cl"	34.969402
"1279985"	610.151102	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Cl"	34.969402
"25822"	1187.312006	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M-2H+K"	36.948606
"462101"	1762.493706	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M-2H+K"	36.948606
"844278"	612.130306	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-2H+K"	36.948606
"1565579"	612.130306	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+K-2H"	36.948606
"953463"	620.179894	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-H+HCOOH"	44.998194
"372770"	1195.361601	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+HCOOH-H"	44.998201
"360300"	1209.377251	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+Hac-H"	59.013851
"1506578"	634.195551	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Hac-H"	59.013851
"968655"	642.161851	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-H+NaCOOH"	66.980151
"122302"	610.151102	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+2Cl"	69.938804
"560404"	897.741952	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+2Cl"	69.938804
"1027016"	322.560252	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2Cl"	69.938804
"1245502"	654.100585	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Br"	78.918885
"1306857"	656.156572	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Cl+HCOOH"	80.974872
"1322165"	678.138529	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Cl+NaCOOH"	102.956829
"916510"	688.167286	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M-H+CF3COOH"	112.985586
"1292124"	724.143964	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Cl+CF3COOH"	148.962264
"1368461"	540.169024	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H-2H2O"	-35.012676
"1383768"	558.179	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H-H2O"	-17.0027
"284550"	1151.370676	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+H"	1.007276
"684267"	1726.552376	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+H"	1.007276
"1366332"	576.188976	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H"	1.007276
"127682"	576.188976	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+2H"	2.014552
"569793"	863.779826	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+2H"	2.014552
"1045154"	288.598126	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2H"	2.014552
"215240"	384.461742666667	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+3H"	3.021828
"655894"	576.188976	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+3H"	3.021828
"1175114"	192.734509333333	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+3H"	3.021828
"435106"	1168.397223	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+NH4"	18.033823
"796100"	1743.578923	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+NH4"	18.033823
"1692432"	593.215523	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+NH4"	18.033823
"333785"	584.7022495	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+H+NH4"	19.041099
"726570"	872.2930995	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+H+NH4"	19.041099
"1479298"	297.1113995	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H+NH4"	19.041099
"397984"	1173.352618	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+Na"	22.989218
"761171"	1748.534318	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+Na"	22.989218
"1607081"	598.170918	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Na"	22.989218
"314927"	587.179947	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+H+Na"	23.996494
"707956"	874.770797	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+H+Na"	23.996494
"1466636"	299.589097	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H+Na"	23.996494
"1053812"	200.061823333333	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2H+Na"	25.00377
"1259379"	608.215186	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+CH3OH+H"	33.033486
"379046"	1189.326558	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+K"	38.963158
"740406"	1764.508258	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+K"	38.963158
"1541365"	614.144858	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+K"	38.963158
"303648"	595.166917	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+H+K"	39.970434
"694976"	882.757767	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+H+K"	39.970434
"1452074"	307.576067	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H+K"	39.970434
"238123"	1192.397226	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+ACN+H"	42.033826
"1213381"	617.215526	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+ACN+H"	42.033826
"1199451"	309.111401	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+ACN+2H"	43.041102
"193417"	1195.33456	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+2Na-H"	44.97116
"631161"	1770.51626	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+2Na-H"	44.97116
"1135756"	620.15286	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2Na-H"	44.97116
"181969"	598.170918	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+2Na"	45.978436
"625908"	885.761768	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+2Na"	45.978436
"1128320"	310.580068	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2Na"	45.978436
"1412937"	207.389137333333	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H+2Na"	46.985712
"1438495"	622.194446	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H+HCOOH"	47.012746
"224908"	603.20394	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+3H2O+2H"	56.04448
"1516248"	636.24649	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+IsoProp+H"	61.06479
"420306"	606.157888	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+Na+K"	61.952376
"776940"	893.748738	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+Na+K"	61.952376
"1674364"	318.567038	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Na+K"	61.952376
"258698"	1214.379168	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+ACN+Na"	64.015768
"1233592"	639.197468	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+ACN+Na"	64.015768
"1715914"	639.220993	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+NH4+HCOOH"	64.039293
"1186739"	214.716451333333	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+3Na"	68.967654
"1655537"	644.176388	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Na+HCOOH"	68.994688
"160211"	1227.28244	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+2K-H"	76.91904
"597944"	1802.46414	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+2K-H"	76.91904
"1085613"	652.10074	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2K-H"	76.91904
"142429"	614.144858	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"2M+2K"	77.926316
"581868"	901.735708	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"3M+2K"	77.926316
"1069782"	326.554008	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2K"	77.926316
"1101296"	654.115292	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2K+H"	78.933592
"1339504"	654.202907	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+DMSO+H"	79.021207
"1007791"	658.242076	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2ACN+H"	83.060376
"1533452"	659.235708	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+IsoProp+Na+H"	84.054008
"996620"	329.624676	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+2ACN+2H"	84.067652
"1596591"	660.150328	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+K+HCOOH"	84.968628
"1420066"	690.181838	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+H+CF3COOH"	115.000138
"1151451"	350.137951	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+3ACN+2H"	125.094202
"1698815"	707.208385	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+NH4+CF3COOH"	132.026685
"1644309"	712.16378	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+Na+CF3COOH"	136.98208
"1575586"	728.13772	"C11603"	"Monochloro-monoglutathionyl melphalan"	"C23H34ClN5O8S"	"575.1817"	"M+K+CF3COOH"	152.95602
"805950"	484.3373	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M"	0
"982763"	465.31891	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-H2O-H"	-19.01839
"75382"	321.884257333333	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M-3H"	-3.021828
"516764"	483.330024	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M-3H"	-3.021828
"894689"	160.438490666667	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-3H"	-3.021828
"10223"	483.330024	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M-2H"	-2.014552
"449783"	725.498674	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M-2H"	-2.014552
"823214"	241.161374	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-2H"	-2.014552
"86485"	967.667324	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M-H"	-1.007276
"524952"	1452.004624	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M-H"	-1.007276
"903847"	483.330024	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-H"	-1.007276
"57494"	984.693871	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M-2H+NH4"	16.019271
"493408"	1469.031171	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M-2H+NH4"	16.019271
"864770"	500.356571	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-2H+NH4"	16.019271
"31941"	989.649266	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M-2H+Na"	20.974666
"471782"	1473.986566	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M-2H+Na"	20.974666
"851011"	505.311966	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-2H+Na"	20.974666
"1619449"	505.311966	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Na-2H"	20.974666
"94554"	501.318363	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M-H+Cl"	33.962126
"534562"	743.487013	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M-H+Cl"	33.962126
"929417"	259.149713	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-H+Cl"	33.962126
"271988"	1003.644002	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+Cl"	34.969402
"667689"	1487.981302	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+Cl"	34.969402
"1277908"	519.306702	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Cl"	34.969402
"19371"	1005.623206	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M-2H+K"	36.948606
"458932"	1489.960506	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M-2H+K"	36.948606
"838921"	521.285906	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-2H+K"	36.948606
"1565689"	521.285906	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+K-2H"	36.948606
"951386"	529.335494	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-H+HCOOH"	44.998194
"370693"	1013.672801	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+HCOOH-H"	44.998201
"360409"	1027.688451	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+Hac-H"	59.013851
"1506324"	543.351151	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Hac-H"	59.013851
"965485"	551.317451	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-H+NaCOOH"	66.980151
"120953"	519.306702	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+2Cl"	69.938804
"560514"	761.475352	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+2Cl"	69.938804
"1028220"	277.138052	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2Cl"	69.938804
"1245611"	563.256185	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Br"	78.918885
"1308060"	565.312172	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Cl+HCOOH"	80.974872
"1322637"	587.294129	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Cl+NaCOOH"	102.956829
"915527"	597.322886	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M-H+CF3COOH"	112.985586
"1292234"	633.299564	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Cl+CF3COOH"	148.962264
"1370396"	449.324624	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H-2H2O"	-35.012676
"1384240"	467.3346	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H-H2O"	-17.0027
"284293"	969.681876	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+H"	1.007276
"681097"	1454.019176	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+H"	1.007276
"1366199"	485.344576	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H"	1.007276
"136899"	485.344576	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+2H"	2.014552
"567353"	727.513226	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+2H"	2.014552
"1045264"	243.175926	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2H"	2.014552
"218267"	323.898809333333	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+3H"	3.021828
"656003"	485.344576	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+3H"	3.021828
"1173037"	162.453042666667	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+3H"	3.021828
"438132"	986.708423	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+NH4"	18.033823
"795117"	1471.045723	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+NH4"	18.033823
"1693636"	502.371123	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+NH4"	18.033823
"332802"	493.8578495	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+H+NH4"	19.041099
"727773"	736.0264995	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+H+NH4"	19.041099
"1479407"	251.6891995	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H+NH4"	19.041099
"397001"	991.663818	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+Na"	22.989218
"756908"	1476.001118	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+Na"	22.989218
"1605004"	507.326518	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Na"	22.989218
"314298"	496.335547	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+H+Na"	23.996494
"707455"	738.504197	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+H+Na"	23.996494
"1464561"	254.166897	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H+Na"	23.996494
"1053922"	169.780356666667	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2H+Na"	25.00377
"1257663"	517.370786	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+CH3OH+H"	33.033486
"377176"	1007.637758	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+K"	38.963158
"738728"	1491.975058	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+K"	38.963158
"1540034"	523.300458	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+K"	38.963158
"299746"	504.322517	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+H+K"	39.970434
"693993"	746.491167	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+H+K"	39.970434
"1448539"	262.153867	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H+K"	39.970434
"237139"	1010.708426	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+ACN+H"	42.033826
"1212398"	526.371126	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+ACN+H"	42.033826
"1197375"	263.689201	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+ACN+2H"	43.041102
"191341"	1013.64576	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+2Na-H"	44.97116
"630542"	1497.98306	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+2Na-H"	44.97116
"1132343"	529.30846	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2Na-H"	44.97116
"185359"	507.326518	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+2Na"	45.978436
"626384"	749.495168	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+2Na"	45.978436
"1126243"	265.157868	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2Na"	45.978436
"1407580"	177.107670666667	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H+2Na"	46.985712
"1439698"	531.350046	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H+HCOOH"	47.012746
"222831"	512.35954	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+3H2O+2H"	56.04448
"1514169"	545.40209	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+IsoProp+H"	61.06479
"418230"	515.313488	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+Na+K"	61.952376
"775957"	757.482138	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+Na+K"	61.952376
"1670102"	273.144838	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Na+K"	61.952376
"256985"	1032.690368	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+ACN+Na"	64.015768
"1232608"	548.353068	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+ACN+Na"	64.015768
"1716024"	548.376593	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+NH4+HCOOH"	64.039293
"1184663"	184.434984666667	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+3Na"	68.967654
"1652367"	553.331988	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Na+HCOOH"	68.994688
"159228"	1045.59364	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+2K-H"	76.91904
"597324"	1529.93094	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+2K-H"	76.91904
"1085966"	561.25634	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2K-H"	76.91904
"141806"	523.300458	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"2M+2K"	77.926316
"581854"	765.469108	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"3M+2K"	77.926316
"1068632"	281.131808	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2K"	77.926316
"1102865"	563.270892	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2K+H"	78.933592
"1338157"	563.358507	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+DMSO+H"	79.021207
"1006926"	567.397676	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2ACN+H"	83.060376
"1532469"	568.391308	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+IsoProp+Na+H"	84.054008
"995637"	284.202476	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+2ACN+2H"	84.067652
"1596701"	569.305928	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+K+HCOOH"	84.968628
"1419083"	599.337438	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+H+CF3COOH"	115.000138
"1150468"	304.715751	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+3ACN+2H"	125.094202
"1698925"	616.363985	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+NH4+CF3COOH"	132.026685
"1644419"	621.31938	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+Na+CF3COOH"	136.98208
"1576789"	637.29332	"C11604"	"N-tert-Butyloxycarbonyl-deacetyl-leupeptin;N-t-Boc-deacetyl-leupeptin"	"C23H44N6O5"	"484.3373"	"M+K+CF3COOH"	152.95602
"812621"	329.0318	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M"	0
"987248"	310.01341	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-H2O-H"	-19.01839
"76589"	218.347257333333	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M-3H"	-3.021828
"517612"	328.024524	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M-3H"	-3.021828
"894804"	108.669990666667	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-3H"	-3.021828
"13614"	328.024524	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M-2H"	-2.014552
"451352"	492.540424	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M-2H"	-2.014552
"826605"	163.508624	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-2H"	-2.014552
"86596"	657.056324	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M-H"	-1.007276
"527249"	986.088124	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M-H"	-1.007276
"906144"	328.024524	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-H"	-1.007276
"56511"	674.082871	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M-2H+NH4"	16.019271
"493518"	1003.114671	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M-2H+NH4"	16.019271
"869500"	345.051071	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-2H+NH4"	16.019271
"35579"	679.038266	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M-2H+Na"	20.974666
"473680"	1008.070066	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M-2H+Na"	20.974666
"852213"	350.006466	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-2H+Na"	20.974666
"1622110"	350.006466	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Na-2H"	20.974666
"99004"	346.012863	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M-H+Cl"	33.962126
"545491"	510.528763	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M-H+Cl"	33.962126
"937913"	181.496963	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-H+Cl"	33.962126
"272098"	693.033002	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+Cl"	34.969402
"665245"	1022.064802	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+Cl"	34.969402
"1278016"	364.001202	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Cl"	34.969402
"22760"	695.012206	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M-2H+K"	36.948606
"459406"	1024.044006	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M-2H+K"	36.948606
"837938"	365.980406	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-2H+K"	36.948606
"1564708"	365.980406	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+K-2H"	36.948606
"946028"	374.029994	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-H+HCOOH"	44.998194
"369709"	703.061801	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+HCOOH-H"	44.998201
"356509"	717.077451	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+Hac-H"	59.013851
"1503883"	388.045651	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Hac-H"	59.013851
"971064"	396.011951	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-H+NaCOOH"	66.980151
"123252"	364.001202	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+2Cl"	69.938804
"564271"	528.517102	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+2Cl"	69.938804
"1027236"	199.485302	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2Cl"	69.938804
"1245723"	407.950685	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Br"	78.918885
"1308170"	410.006672	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Cl+HCOOH"	80.974872
"1322386"	431.988629	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Cl+NaCOOH"	102.956829
"916730"	442.017386	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M-H+CF3COOH"	112.985586
"1294530"	477.994064	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Cl+CF3COOH"	148.962264
"1372692"	294.019124	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H-2H2O"	-35.012676
"1388000"	312.0291	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H-H2O"	-17.0027
"284405"	659.070876	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+H"	1.007276
"677554"	988.102676	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+H"	1.007276
"1359739"	330.039076	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H"	1.007276
"137010"	330.039076	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+2H"	2.014552
"567828"	494.554976	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+2H"	2.014552
"1042095"	165.523176	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2H"	2.014552
"215463"	220.361809333333	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+3H"	3.021828
"655023"	330.039076	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+3H"	3.021828
"1166955"	110.684542666667	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+3H"	3.021828
"430951"	676.097423	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+NH4"	18.033823
"790857"	1005.129223	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+NH4"	18.033823
"1687188"	347.065623	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+NH4"	18.033823
"331454"	338.5523495	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+H+NH4"	19.041099
"726060"	503.0682495	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+H+NH4"	19.041099
"1477699"	174.0364495	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H+NH4"	19.041099
"396018"	681.052818	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+Na"	22.989218
"757018"	1010.084618	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+Na"	22.989218
"1605114"	352.021018	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Na"	22.989218
"314328"	341.030047	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+H+Na"	23.996494
"708663"	505.545947	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+H+Na"	23.996494
"1466857"	176.514147	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H+Na"	23.996494
"1052794"	118.011856666667	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2H+Na"	25.00377
"1261422"	362.065286	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+CH3OH+H"	33.033486
"377606"	697.026758	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+K"	38.963158
"738799"	1026.058558	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+K"	38.963158
"1540000"	367.994958	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+K"	38.963158
"301314"	349.017017	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+H+K"	39.970434
"695193"	513.532917	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+H+K"	39.970434
"1450472"	184.501117	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H+K"	39.970434
"238710"	700.097426	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+ACN+H"	42.033826
"1215789"	371.065626	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+ACN+H"	42.033826
"1200765"	186.036451	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+ACN+2H"	43.041102
"191452"	703.03476	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+2Na-H"	44.97116
"630288"	1032.06656	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+2Na-H"	44.97116
"1133424"	374.00296	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2Na-H"	44.97116
"185105"	352.021018	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+2Na"	45.978436
"623579"	516.536918	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+2Na"	45.978436
"1125626"	187.505118	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2Na"	45.978436
"1408420"	125.339170666667	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H+2Na"	46.985712
"1437988"	376.044546	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H+HCOOH"	47.012746
"228045"	357.05404	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+3H2O+2H"	56.04448
"1516467"	390.09659	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+IsoProp+H"	61.06479
"419433"	360.007988	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+Na+K"	61.952376
"773873"	524.523888	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+Na+K"	61.952376
"1669483"	195.492088	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Na+K"	61.952376
"256002"	722.079368	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+ACN+Na"	64.015768
"1231624"	393.047568	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+ACN+Na"	64.015768
"1716134"	393.071093	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+NH4+HCOOH"	64.039293
"1182587"	132.666484666667	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+3Na"	68.967654
"1652477"	398.026488	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Na+HCOOH"	68.994688
"159339"	734.98264	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+2K-H"	76.91904
"597800"	1064.01444	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+2K-H"	76.91904
"1084618"	405.95084	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2K-H"	76.91904
"141798"	367.994958	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"2M+2K"	77.926316
"581963"	532.510858	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"3M+2K"	77.926316
"1068656"	203.479058	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2K"	77.926316
"1101882"	407.965392	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2K+H"	78.933592
"1340451"	408.053007	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+DMSO+H"	79.021207
"1006794"	412.092176	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2ACN+H"	83.060376
"1530393"	413.085808	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+IsoProp+Na+H"	84.054008
"999027"	206.549726	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+2ACN+2H"	84.067652
"1597904"	414.000428	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+K+HCOOH"	84.968628
"1419193"	444.031938	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+H+CF3COOH"	115.000138
"1150578"	227.063001	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+3ACN+2H"	125.094202
"1700128"	461.058485	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+NH4+CF3COOH"	132.026685
"1644529"	466.01388	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+Na+CF3COOH"	136.98208
"1575806"	481.98782	"C11605"	"NAc-DNP-Cys;N-Acetyl 24-dinitrophenyl cysteine;N-Acetyl-S-(24-dinitrophenyl)-L-cysteine"	"C11H11N3O7S"	"329.0318"	"M+K+CF3COOH"	152.95602
"806170"	622.3591	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M"	0
"982983"	603.34071	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-H2O-H"	-19.01839
"76941"	413.898790666667	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M-3H"	-3.021828
"517835"	621.351824	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M-3H"	-3.021828
"895116"	206.445757333333	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-3H"	-3.021828
"10443"	621.351824	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M-2H"	-2.014552
"448909"	932.531374	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M-2H"	-2.014552
"826715"	310.172274	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-2H"	-2.014552
"86705"	1243.710924	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M-H"	-1.007276
"524079"	1866.070024	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M-H"	-1.007276
"905160"	621.351824	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-H"	-1.007276
"56254"	1260.737471	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M-2H+NH4"	16.019271
"488646"	1883.096571	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M-2H+NH4"	16.019271
"866695"	638.378371	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-2H+NH4"	16.019271
"35689"	1265.692866	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M-2H+Na"	20.974666
"474156"	1888.051966	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M-2H+Na"	20.974666
"857791"	643.333766	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-2H+Na"	20.974666
"1623313"	643.333766	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Na-2H"	20.974666
"98750"	639.340163	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M-H+Cl"	33.962126
"547667"	950.519713	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M-H+Cl"	33.962126
"939116"	328.160613	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-H+Cl"	33.962126
"270022"	1279.687602	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+Cl"	34.969402
"665722"	1902.046702	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+Cl"	34.969402
"1278126"	657.328502	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Cl"	34.969402
"20683"	1281.666806	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M-2H+K"	36.948606
"458059"	1904.025906	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M-2H+K"	36.948606
"839141"	659.307706	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-2H+K"	36.948606
"1564818"	659.307706	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+K-2H"	36.948606
"945044"	667.357294	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-H+HCOOH"	44.998194
"368725"	1289.716401	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+HCOOH-H"	44.998201
"353703"	1303.732051	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+Hac-H"	59.013851
"1497067"	681.372951	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Hac-H"	59.013851
"971539"	689.339251	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-H+NaCOOH"	66.980151
"122268"	657.328502	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+2Cl"	69.938804
"563653"	968.508052	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+2Cl"	69.938804
"1028440"	346.148952	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2Cl"	69.938804
"1244740"	701.277985	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Br"	78.918885
"1309375"	703.333972	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Cl+HCOOH"	80.974872
"1322131"	725.315929	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Cl+NaCOOH"	102.956829
"914283"	735.344686	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M-H+CF3COOH"	112.985586
"1291720"	771.321364	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Cl+CF3COOH"	148.962264
"1370979"	587.346424	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H-2H2O"	-35.012676
"1386650"	605.3564	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H-H2O"	-17.0027
"284879"	1245.725476	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+H"	1.007276
"679124"	1868.084576	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+H"	1.007276
"1356568"	623.366376	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H"	1.007276
"133840"	623.366376	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+2H"	2.014552
"565992"	934.545926	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+2H"	2.014552
"1039653"	312.186826	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2H"	2.014552
"209011"	415.913342666667	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+3H"	3.021828
"648938"	623.366376	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+3H"	3.021828
"1165240"	208.460309333333	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+3H"	3.021828
"427055"	1262.752023	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+NH4"	18.033823
"788780"	1885.111123	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+NH4"	18.033823
"1686202"	640.392923	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+NH4"	18.033823
"331930"	631.8796495	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+H+NH4"	19.041099
"725081"	943.0591995	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+H+NH4"	19.041099
"1479633"	320.7000995	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H+NH4"	19.041099
"398314"	1267.707418	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+Na"	22.989218
"756032"	1890.066518	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+Na"	22.989218
"1603762"	645.348318	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Na"	22.989218
"315135"	634.357347	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+H+Na"	23.996494
"710960"	945.536897	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+H+Na"	23.996494
"1463687"	323.177797	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H+Na"	23.996494
"1053121"	215.787623333333	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2H+Na"	25.00377
"1257398"	655.392586	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+CH3OH+H"	33.033486
"378645"	1283.681358	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+K"	38.963158
"739519"	1906.040458	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+K"	38.963158
"1542059"	661.322258	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+K"	38.963158
"299477"	642.344317	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+H+K"	39.970434
"693237"	953.523867	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+H+K"	39.970434
"1448759"	331.164767	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H+K"	39.970434
"239910"	1286.752026	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+ACN+H"	42.033826
"1212130"	664.392926	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+ACN+H"	42.033826
"1197595"	332.700101	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+ACN+2H"	43.041102
"192656"	1289.68936	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+2Na-H"	44.97116
"631491"	1912.04846	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+2Na-H"	44.97116
"1134992"	667.33026	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2Na-H"	44.97116
"185215"	645.348318	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+2Na"	45.978436
"622956"	956.527868	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+2Na"	45.978436
"1126829"	334.168768	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2Na"	45.978436
"1406705"	223.114937333333	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H+2Na"	46.985712
"1437367"	669.371846	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H+HCOOH"	47.012746
"225239"	650.38134	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+3H2O+2H"	56.04448
"1513299"	683.42389	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+IsoProp+H"	61.06479
"412984"	653.335288	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+Na+K"	61.952376
"773254"	964.514838	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+Na+K"	61.952376
"1669585"	342.155738	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Na+K"	61.952376
"261941"	1308.733968	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+ACN+Na"	64.015768
"1230641"	686.374868	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+ACN+Na"	64.015768
"1716244"	686.398393	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+NH4+HCOOH"	64.039293
"1179413"	230.442251333333	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+3Na"	68.967654
"1651492"	691.353788	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Na+HCOOH"	68.994688
"160540"	1321.63724	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+2K-H"	76.91904
"599008"	1943.99634	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+2K-H"	76.91904
"1085825"	699.27814	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2K-H"	76.91904
"142151"	661.322258	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"2M+2K"	77.926316
"581950"	972.501808	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"3M+2K"	77.926316
"1068569"	350.142708	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2K"	77.926316
"1101262"	701.292692	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2K+H"	78.933592
"1336304"	701.380307	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+DMSO+H"	79.021207
"1006047"	705.419476	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2ACN+H"	83.060376
"1529409"	706.413108	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+IsoProp+Na+H"	84.054008
"995857"	353.213376	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+2ACN+2H"	84.067652
"1594734"	707.327728	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+K+HCOOH"	84.968628
"1421492"	737.359238	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+H+CF3COOH"	115.000138
"1150688"	373.726651	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+3ACN+2H"	125.094202
"1703520"	754.385785	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+NH4+CF3COOH"	132.026685
"1644639"	759.34118	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+Na+CF3COOH"	136.98208
"1585757"	775.31512	"C11606"	"NAc-FnorLRF-amide;N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide"	"C32H46N8O5"	"622.3591"	"M+K+CF3COOH"	152.95602
"806280"	787.5208	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M"	0
"986373"	768.50241	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-H2O-H"	-19.01839
"78461"	524.006590666667	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M-3H"	-3.021828
"517702"	786.513524	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M-3H"	-3.021828
"895573"	261.499657333333	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-3H"	-3.021828
"8366"	786.513524	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M-2H"	-2.014552
"449019"	1180.273924	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M-2H"	-2.014552
"828647"	392.753124	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-2H"	-2.014552
"86815"	1574.034324	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M-H"	-1.007276
"524189"	2361.555124	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M-H"	-1.007276
"904177"	786.513524	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-H"	-1.007276
"50895"	1591.060871	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M-2H+NH4"	16.019271
"491550"	2378.581671	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M-2H+NH4"	16.019271
"874825"	803.540071	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-2H+NH4"	16.019271
"44913"	1596.016266	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M-2H+Na"	20.974666
"476819"	2383.537066	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M-2H+Na"	20.974666
"853163"	808.495466	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-2H+Na"	20.974666
"1628527"	808.495466	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Na-2H"	20.974666
"109067"	804.501863	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M-H+Cl"	33.962126
"542430"	1198.262263	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M-H+Cl"	33.962126
"941536"	410.741463	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-H+Cl"	33.962126
"272319"	1610.011002	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+Cl"	34.969402
"668020"	2397.531802	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+Cl"	34.969402
"1278237"	822.490202	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Cl"	34.969402
"19699"	1611.990206	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M-2H+K"	36.948606
"461449"	2399.511006	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M-2H+K"	36.948606
"839251"	824.469406	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-2H+K"	36.948606
"1568935"	824.469406	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+K-2H"	36.948606
"947340"	832.518994	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-H+HCOOH"	44.998194
"365555"	1620.039801	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+HCOOH-H"	44.998201
"353813"	1634.055451	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+Hac-H"	59.013851
"1499364"	846.534651	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Hac-H"	59.013851
"971282"	854.500951	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-H+NaCOOH"	66.980151
"120191"	822.490202	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+2Cl"	69.938804
"558658"	1216.250602	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+2Cl"	69.938804
"1026364"	428.729802	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2Cl"	69.938804
"1249224"	866.439685	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Br"	78.918885
"1307299"	868.495672	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Cl+HCOOH"	80.974872
"1321514"	890.477629	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Cl+NaCOOH"	102.956829
"913664"	900.506386	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M-H+CF3COOH"	112.985586
"1291103"	936.483064	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Cl+CF3COOH"	148.962264
"1371818"	752.508124	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H-2H2O"	-35.012676
"1384939"	770.5181	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H-H2O"	-17.0027
"283652"	1576.048876	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+H"	1.007276
"678505"	2363.569676	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+H"	1.007276
"1356678"	788.528076	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H"	1.007276
"129573"	788.528076	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+2H"	2.014552
"567317"	1182.288476	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+2H"	2.014552
"1040491"	394.767676	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2H"	2.014552
"208026"	526.021142666667	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+3H"	3.021828
"647951"	788.528076	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+3H"	3.021828
"1165712"	263.514209333333	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+3H"	3.021828
"427893"	1593.075423	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+NH4"	18.033823
"789982"	2380.596223	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+NH4"	18.033823
"1686677"	805.554623	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+NH4"	18.033823
"331674"	797.0413495	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+H+NH4"	19.041099
"725190"	1190.8017495	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+H+NH4"	19.041099
"1479378"	403.2809495	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H+NH4"	19.041099
"399517"	1598.030818	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+Na"	22.989218
"757235"	2385.551618	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+Na"	22.989218
"1604602"	810.510018	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Na"	22.989218
"317555"	799.519047	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+H+Na"	23.996494
"712163"	1193.279447	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+H+Na"	23.996494
"1464890"	405.758647	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H+Na"	23.996494
"1054859"	270.841523333333	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2H+Na"	25.00377
"1261274"	820.554286	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+CH3OH+H"	33.033486
"380577"	1614.004758	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+K"	38.963158
"740237"	2401.525558	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+K"	38.963158
"1543992"	826.483958	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+K"	38.963158
"299588"	807.506017	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+H+K"	39.970434
"697601"	1201.266417	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+H+K"	39.970434
"1450327"	413.745617	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H+K"	39.970434
"240020"	1617.075426	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+ACN+H"	42.033826
"1212728"	829.554626	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+ACN+H"	42.033826
"1198800"	415.280951	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+ACN+2H"	43.041102
"197140"	1620.01276	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+2Na-H"	44.97116
"636702"	2407.53356	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+2Na-H"	44.97116
"1138018"	832.49196	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2Na-H"	44.97116
"182409"	810.510018	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+2Na"	45.978436
"619786"	1204.270418	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+2Na"	45.978436
"1121105"	416.749618	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2Na"	45.978436
"1404628"	278.168837333333	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H+2Na"	46.985712
"1436747"	834.533546	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H+HCOOH"	47.012746
"225348"	815.54304	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+3H2O+2H"	56.04448
"1516689"	848.58559	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+IsoProp+H"	61.06479
"415281"	818.496988	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+Na+K"	61.952376
"777375"	1212.257388	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+Na+K"	61.952376
"1670423"	424.736588	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Na+K"	61.952376
"260228"	1639.057368	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+ACN+Na"	64.015768
"1229660"	851.536568	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+ACN+Na"	64.015768
"1716356"	851.560093	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+NH4+HCOOH"	64.039293
"1182806"	285.496151333333	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+3Na"	68.967654
"1652330"	856.515488	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Na+HCOOH"	68.994688
"160650"	1651.96064	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+2K-H"	76.91904
"598753"	2439.48144	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+2K-H"	76.91904
"1086420"	864.43984	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2K-H"	76.91904
"141693"	826.483958	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"2M+2K"	77.926316
"582797"	1220.244358	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"3M+2K"	77.926316
"1068925"	432.723558	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2K"	77.926316
"1102102"	866.454392	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2K+H"	78.933592
"1336291"	866.542007	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+DMSO+H"	79.021207
"1007008"	870.581176	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2ACN+H"	83.060376
"1527333"	871.574808	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+IsoProp+Na+H"	84.054008
"995967"	435.794226	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+2ACN+2H"	84.067652
"1593751"	872.489428	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+K+HCOOH"	84.968628
"1424882"	902.520938	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+H+CF3COOH"	115.000138
"1151891"	456.307501	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+3ACN+2H"	125.094202
"1703630"	919.547485	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+NH4+CF3COOH"	132.026685
"1644749"	924.50288	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+Na+CF3COOH"	136.98208
"1585867"	940.47682	"C11607"	"N-Acetyl-leu-leu-leu-leu-leu-tyr-amide;NAc-L5Y-amide"	"C41H69N7O8"	"787.5208"	"M+K+CF3COOH"	152.95602
"806390"	486.189	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M"	0
"986483"	467.17061	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-H2O-H"	-19.01839
"76187"	323.118724	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M-3H"	-3.021828
"517447"	485.181724	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M-3H"	-3.021828
"894277"	161.055724	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-3H"	-3.021828
"8476"	485.181724	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M-2H"	-2.014552
"449129"	728.276224	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M-2H"	-2.014552
"823651"	242.087224	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-2H"	-2.014552
"82549"	971.370724	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M-H"	-1.007276
"524299"	1457.559724	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M-H"	-1.007276
"901006"	485.181724	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-H"	-1.007276
"49912"	988.397271	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M-2H+NH4"	16.019271
"489473"	1474.586271	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M-2H+NH4"	16.019271
"866187"	502.208271	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-2H+NH4"	16.019271
"34814"	993.352666	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M-2H+Na"	20.974666
"474738"	1479.541666	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M-2H+Na"	20.974666
"851449"	507.163666	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-2H+Na"	20.974666
"1625357"	507.163666	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Na-2H"	20.974666
"108813"	503.170063	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M-H+Cl"	33.962126
"542540"	746.264563	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M-H+Cl"	33.962126
"941888"	260.075563	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-H+Cl"	33.962126
"274616"	1007.347402	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+Cl"	34.969402
"668130"	1493.536402	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+Cl"	34.969402
"1283814"	521.158402	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Cl"	34.969402
"21996"	1009.326606	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M-2H+K"	36.948606
"463746"	1495.515606	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M-2H+K"	36.948606
"839361"	523.137606	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-2H+K"	36.948606
"1569410"	523.137606	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+K-2H"	36.948606
"948544"	531.187194	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-H+HCOOH"	44.998194
"367852"	1017.376201	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+HCOOH-H"	44.998201
"355016"	1031.391851	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+Hac-H"	59.013851
"1499474"	545.202851	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Hac-H"	59.013851
"971392"	553.169151	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-H+NaCOOH"	66.980151
"117019"	521.158402	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+2Cl"	69.938804
"556581"	764.252902	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+2Cl"	69.938804
"1025381"	278.063902	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2Cl"	69.938804
"1249333"	565.107885	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Br"	78.918885
"1307409"	567.163872	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Cl+HCOOH"	80.974872
"1322717"	589.145829	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Cl+NaCOOH"	102.956829
"914139"	599.174586	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M-H+CF3COOH"	112.985586
"1291942"	635.151264	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Cl+CF3COOH"	148.962264
"1370835"	451.176324	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H-2H2O"	-35.012676
"1386142"	469.1863	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H-H2O"	-17.0027
"284006"	973.385276	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+H"	1.007276
"680438"	1459.574276	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+H"	1.007276
"1356788"	487.196276	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H"	1.007276
"130771"	487.196276	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+2H"	2.014552
"567064"	730.290776	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+2H"	2.014552
"1038778"	244.101776	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2H"	2.014552
"207770"	325.133276	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+3H"	3.021828
"646966"	487.196276	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+3H"	3.021828
"1165093"	163.070276	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+3H"	3.021828
"427272"	990.411823	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+NH4"	18.033823
"787539"	1476.600823	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+NH4"	18.033823
"1683506"	504.222823	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+NH4"	18.033823
"331054"	495.7095495	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+H+NH4"	19.041099
"724935"	738.8040495	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+H+NH4"	19.041099
"1479854"	252.6150495	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H+NH4"	19.041099
"397805"	995.367218	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+Na"	22.989218
"755643"	1481.556218	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+Na"	22.989218
"1604103"	509.178218	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Na"	22.989218
"315843"	498.187247	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+H+Na"	23.996494
"710086"	741.281747	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+H+Na"	23.996494
"1463177"	255.092747	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H+Na"	23.996494
"1053875"	170.39759	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2H+Na"	25.00377
"1258467"	519.222486	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+CH3OH+H"	33.033486
"377771"	1011.341158	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+K"	38.963158
"738964"	1497.530158	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+K"	38.963158
"1540577"	525.152158	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+K"	38.963158
"300183"	506.174217	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+H+K"	39.970434
"696618"	749.268717	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+H+K"	39.970434
"1450437"	263.079717	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H+K"	39.970434
"239036"	1014.411826	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+ACN+H"	42.033826
"1212837"	528.222826	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+ACN+H"	42.033826
"1196724"	264.615051	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+ACN+2H"	43.041102
"196157"	1017.34916	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+2Na-H"	44.97116
"632804"	1503.53816	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+2Na-H"	44.97116
"1135942"	531.16016	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2Na-H"	44.97116
"179603"	509.178218	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+2Na"	45.978436
"617708"	752.272718	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+2Na"	45.978436
"1123402"	266.083718	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2Na"	45.978436
"1404009"	177.724904	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H+2Na"	46.985712
"1434670"	533.201746	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H+HCOOH"	47.012746
"222178"	514.21124	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+3H2O+2H"	56.04448
"1513520"	547.25379	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+IsoProp+H"	61.06479
"412112"	517.165188	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+Na+K"	61.952376
"777485"	760.259688	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+Na+K"	61.952376
"1670169"	274.070688	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Na+K"	61.952376
"260338"	1036.393768	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+ACN+Na"	64.015768
"1229771"	550.204768	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+ACN+Na"	64.015768
"1715373"	550.228293	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+NH4+HCOOH"	64.039293
"1181095"	185.052218	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+3Na"	68.967654
"1652077"	555.183688	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Na+HCOOH"	68.994688
"160760"	1049.29704	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+2K-H"	76.91904
"598984"	1535.48604	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+2K-H"	76.91904
"1088111"	563.10804	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2K-H"	76.91904
"142371"	525.152158	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"2M+2K"	77.926316
"581810"	768.246658	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"3M+2K"	77.926316
"1068668"	282.057658	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2K"	77.926316
"1102333"	565.122592	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2K+H"	78.933592
"1336279"	565.210207	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+DMSO+H"	79.021207
"1008213"	569.249376	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2ACN+H"	83.060376
"1529629"	570.243008	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+IsoProp+Na+H"	84.054008
"996078"	285.128326	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+2ACN+2H"	84.067652
"1591675"	571.157628	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+K+HCOOH"	84.968628
"1423899"	601.189138	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+H+CF3COOH"	115.000138
"1152001"	305.641601	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+3ACN+2H"	125.094202
"1703740"	618.215685	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+NH4+CF3COOH"	132.026685
"1644859"	623.17108	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+Na+CF3COOH"	136.98208
"1585977"	639.14502	"C11608"	"Nafenopin glucuronide"	"C26H30O9"	"486.189"	"M+K+CF3COOH"	152.95602
"815248"	724.4762	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M"	0
"986593"	705.45781	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-H2O-H"	-19.01839
"77390"	481.976857333333	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M-3H"	-3.021828
"515493"	723.468924	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M-3H"	-3.021828
"894023"	240.484790666667	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-3H"	-3.021828
"9680"	723.468924	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M-2H"	-2.014552
"452155"	1085.707024	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M-2H"	-2.014552
"827041"	361.230824	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-2H"	-2.014552
"85939"	1447.945124	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M-H"	-1.007276
"527684"	2172.421324	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M-H"	-1.007276
"902209"	723.468924	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-H"	-1.007276
"52209"	1464.971671	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M-2H+NH4"	16.019271
"489583"	2189.447871	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M-2H+NH4"	16.019271
"865442"	740.495471	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-2H+NH4"	16.019271
"34195"	1469.927066	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M-2H+Na"	20.974666
"474485"	2194.403266	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M-2H+Na"	20.974666
"852289"	745.450866	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-2H+Na"	20.974666
"1628747"	745.450866	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Na-2H"	20.974666
"104184"	741.457263	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M-H+Cl"	33.962126
"542650"	1103.695363	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M-H+Cl"	33.962126
"940905"	379.219163	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-H+Cl"	33.962126
"279100"	1483.921802	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+Cl"	34.969402
"670427"	2208.398002	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+Cl"	34.969402
"1283924"	759.445602	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Cl"	34.969402
"21014"	1485.901006	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M-2H+K"	36.948606
"464949"	2210.377206	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M-2H+K"	36.948606
"839471"	761.424806	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-2H+K"	36.948606
"1569887"	761.424806	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+K-2H"	36.948606
"953757"	769.474394	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-H+HCOOH"	44.998194
"366869"	1493.950601	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+HCOOH-H"	44.998201
"354762"	1507.966251	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+Hac-H"	59.013851
"1496304"	783.490051	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Hac-H"	59.013851
"972840"	791.456351	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-H+NaCOOH"	66.980151
"119315"	759.445602	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+2Cl"	69.938804
"558877"	1121.683702	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+2Cl"	69.938804
"1027678"	397.207502	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2Cl"	69.938804
"1243246"	803.395085	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Br"	78.918885
"1307519"	805.451072	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Cl+HCOOH"	80.974872
"1322826"	827.433029	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Cl+NaCOOH"	102.956829
"916075"	837.461786	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M-H+CF3COOH"	112.985586
"1290594"	873.438464	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Cl+CF3COOH"	148.962264
"1370945"	689.463524	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H-2H2O"	-35.012676
"1385159"	707.4735	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H-H2O"	-17.0027
"283754"	1449.959676	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+H"	1.007276
"679455"	2174.435876	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+H"	1.007276
"1356898"	725.483476	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H"	1.007276
"131972"	725.483476	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+2H"	2.014552
"567904"	1087.721576	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+2H"	2.014552
"1038524"	363.245376	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2H"	2.014552
"206544"	483.991409333333	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+3H"	3.021828
"646713"	725.483476	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+3H"	3.021828
"1164232"	242.499342666667	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+3H"	3.021828
"428110"	1466.986223	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+NH4"	18.033823
"786918"	2191.462423	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+NH4"	18.033823
"1682521"	742.510023	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+NH4"	18.033823
"332261"	733.9967495	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+H+NH4"	19.041099
"724319"	1096.2348495	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+H+NH4"	19.041099
"1478141"	371.7586495	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H+NH4"	19.041099
"396458"	1471.941618	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+Na"	22.989218
"757452"	2196.417818	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+Na"	22.989218
"1603729"	747.465418	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Na"	22.989218
"315953"	736.474447	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+H+Na"	23.996494
"707522"	1098.712547	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+H+Na"	23.996494
"1461827"	374.236347	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H+Na"	23.996494
"1054471"	249.826656666667	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2H+Na"	25.00377
"1257849"	757.509686	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+CH3OH+H"	33.033486
"378975"	1487.915558	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+K"	38.963158
"738534"	2212.391758	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+K"	38.963158
"1540240"	763.439358	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+K"	38.963158
"302115"	744.461417	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+H+K"	39.970434
"696728"	1106.699517	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+H+K"	39.970434
"1450547"	382.223317	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H+K"	39.970434
"239146"	1490.986226	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+ACN+H"	42.033826
"1214041"	766.510026	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+ACN+H"	42.033826
"1196834"	383.758651	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+ACN+2H"	43.041102
"196267"	1493.92356	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+2Na-H"	44.97116
"633643"	2218.39976	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+2Na-H"	44.97116
"1136052"	769.44736	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2Na-H"	44.97116
"179349"	747.465418	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+2Na"	45.978436
"616726"	1109.703518	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+2Na"	45.978436
"1120231"	385.227318	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2Na"	45.978436
"1403755"	257.153970666667	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H+2Na"	46.985712
"1432594"	771.488946	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H+HCOOH"	47.012746
"223383"	752.49844	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+3H2O+2H"	56.04448
"1512537"	785.54099	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+IsoProp+H"	61.06479
"413313"	755.452388	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+Na+K"	61.952376
"774672"	1117.690488	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+Na+K"	61.952376
"1677201"	393.214288	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Na+K"	61.952376
"261533"	1512.968168	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+ACN+Na"	64.015768
"1234243"	788.491968	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+ACN+Na"	64.015768
"1718763"	788.515493	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+NH4+HCOOH"	64.039293
"1180469"	264.481284666667	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+3Na"	68.967654
"1652549"	793.470888	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Na+HCOOH"	68.994688
"159048"	1525.87144	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+2K-H"	76.91904
"598974"	2250.34764	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+2K-H"	76.91904
"1087491"	801.39524	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2K-H"	76.91904
"141543"	763.439358	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"2M+2K"	77.926316
"581416"	1125.677458	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"3M+2K"	77.926316
"1068695"	401.201258	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2K"	77.926316
"1100174"	803.409792	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2K+H"	78.933592
"1335781"	803.497407	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+DMSO+H"	79.021207
"1007231"	807.536576	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2ACN+H"	83.060376
"1529739"	808.530208	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+IsoProp+Na+H"	84.054008
"996188"	404.271926	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+2ACN+2H"	84.067652
"1592878"	809.444828	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+K+HCOOH"	84.968628
"1424009"	839.476338	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+H+CF3COOH"	115.000138
"1151018"	424.785201	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+3ACN+2H"	125.094202
"1710411"	856.502885	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+NH4+CF3COOH"	132.026685
"1642782"	861.45828	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+Na+CF3COOH"	136.98208
"1586087"	877.43222	"C11609"	"Nigericin"	"C40H68O11"	"724.4762"	"M+K+CF3COOH"	152.95602
"806610"	671.4469	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M"	0
"983423"	652.42851	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-H2O-H"	-19.01839
"77135"	446.623990666667	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M-3H"	-3.021828
"515603"	670.439624	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M-3H"	-3.021828
"893405"	222.808357333333	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-3H"	-3.021828
"10883"	670.439624	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M-2H"	-2.014552
"449348"	1006.163074	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M-2H"	-2.014552
"823871"	334.716174	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-2H"	-2.014552
"86049"	1341.886524	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M-H"	-1.007276
"523421"	2013.333424	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M-H"	-1.007276
"901226"	670.439624	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-H"	-1.007276
"50132"	1358.913071	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M-2H+NH4"	16.019271
"488600"	2030.359971	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M-2H+NH4"	16.019271
"869321"	687.466171	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-2H+NH4"	16.019271
"36859"	1363.868466	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M-2H+Na"	20.974666
"477513"	2035.315366	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M-2H+Na"	20.974666
"852399"	692.421566	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-2H+Na"	20.974666
"1628857"	692.421566	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Na-2H"	20.974666
"105388"	688.427963	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M-H+Cl"	33.962126
"547986"	1024.151413	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M-H+Cl"	33.962126
"940408"	352.704513	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-H+Cl"	33.962126
"277021"	1377.863202	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+Cl"	34.969402
"668349"	2049.310102	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+Cl"	34.969402
"1279659"	706.416302	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Cl"	34.969402
"18937"	1379.842406	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M-2H+K"	36.948606
"461778"	2051.289306	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M-2H+K"	36.948606
"836298"	708.395506	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-2H+K"	36.948606
"1563068"	708.395506	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+K-2H"	36.948606
"950951"	716.445094	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-H+HCOOH"	44.998194
"365885"	1387.892001	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+HCOOH-H"	44.998201
"354143"	1401.907651	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+Hac-H"	59.013851
"1496414"	730.460751	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Hac-H"	59.013851
"970519"	738.427051	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-H+NaCOOH"	66.980151
"116145"	706.416302	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+2Cl"	69.938804
"558986"	1042.139752	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+2Cl"	69.938804
"1024872"	370.692852	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2Cl"	69.938804
"1244449"	750.365785	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Br"	78.918885
"1306534"	752.421772	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Cl+HCOOH"	80.974872
"1322571"	774.403729	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Cl+NaCOOH"	102.956829
"915092"	784.432486	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M-H+CF3COOH"	112.985586
"1289612"	820.409164	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Cl+CF3COOH"	148.962264
"1371055"	636.434224	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H-2H2O"	-35.012676
"1383569"	654.4442	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H-H2O"	-17.0027
"284957"	1343.901076	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+H"	1.007276
"682845"	2015.347976	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+H"	1.007276
"1357008"	672.454176	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H"	1.007276
"129895"	672.454176	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+2H"	2.014552
"570559"	1008.177626	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+2H"	2.014552
"1041553"	336.730726	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2H"	2.014552
"206289"	448.638542666667	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+3H"	3.021828
"647916"	672.454176	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+3H"	3.021828
"1164948"	224.822909333333	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+3H"	3.021828
"428946"	1360.927623	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+NH4"	18.033823
"789214"	2032.374523	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+NH4"	18.033823
"1684452"	689.480723	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+NH4"	18.033823
"331639"	680.9674495	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+H+NH4"	19.041099
"723701"	1016.6908995	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+H+NH4"	19.041099
"1478372"	345.2439995	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H+NH4"	19.041099
"394382"	1365.883018	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+Na"	22.989218
"755010"	2037.329918	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+Na"	22.989218
"1602938"	694.436118	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Na"	22.989218
"314598"	683.445147	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+H+Na"	23.996494
"707874"	1019.168597	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+H+Na"	23.996494
"1461688"	347.721697	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H+Na"	23.996494
"1052945"	232.150223333333	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2H+Na"	25.00377
"1257144"	704.480386	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+CH3OH+H"	33.033486
"377300"	1381.856958	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+K"	38.963158
"738583"	2053.303858	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+K"	38.963158
"1539969"	710.410058	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+K"	38.963158
"300038"	691.432117	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+H+K"	39.970434
"691567"	1027.155567	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+H+K"	39.970434
"1449563"	355.708667	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H+K"	39.970434
"238163"	1384.927626	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+ACN+H"	42.033826
"1214151"	713.480726	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+ACN+H"	42.033826
"1196942"	357.244001	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+ACN+2H"	43.041102
"193097"	1387.86496	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+2Na-H"	44.97116
"631565"	2059.31186	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+2Na-H"	44.97116
"1135069"	716.41806	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2Na-H"	44.97116
"179459"	694.436118	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+2Na"	45.978436
"617200"	1030.159568	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+2Na"	45.978436
"1118152"	358.712668	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2Na"	45.978436
"1404958"	239.477537333333	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H+2Na"	46.985712
"1435984"	718.459646	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H+HCOOH"	47.012746
"223493"	699.46914	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+3H2O+2H"	56.04448
"1510460"	732.51169	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+IsoProp+H"	61.06479
"410510"	702.423088	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+Na+K"	61.952376
"772599"	1038.146538	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+Na+K"	61.952376
"1671844"	366.699638	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Na+K"	61.952376
"261643"	1406.909568	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+ACN+Na"	64.015768
"1234353"	735.462668	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+ACN+Na"	64.015768
"1723970"	735.486193	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+NH4+HCOOH"	64.039293
"1189324"	246.804851333333	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+3Na"	68.967654
"1652659"	740.441588	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Na+HCOOH"	68.994688
"158426"	1419.81284	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+2K-H"	76.91904
"597621"	2091.25974	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+2K-H"	76.91904
"1085536"	748.36594	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2K-H"	76.91904
"141617"	710.410058	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"2M+2K"	77.926316
"581539"	1046.133508	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"3M+2K"	77.926316
"1069580"	374.686608	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2K"	77.926316
"1100120"	750.380492	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2K+H"	78.933592
"1335937"	750.468107	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+DMSO+H"	79.021207
"1006611"	754.507276	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2ACN+H"	83.060376
"1528756"	755.500908	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+IsoProp+Na+H"	84.054008
"996298"	377.757276	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+2ACN+2H"	84.067652
"1592991"	756.415528	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+K+HCOOH"	84.968628
"1424119"	786.447038	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+H+CF3COOH"	115.000138
"1159876"	398.270551	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+3ACN+2H"	125.094202
"1712344"	803.473585	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+NH4+CF3COOH"	132.026685
"1645079"	808.42898	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+Na+CF3COOH"	136.98208
"1586197"	824.40292	"C11610"	"Pepsinostreptin;N-Isobutyrylpepstatin;Isobutyryl-Val-Val-Sta-Ala-Sta"	"C33H61N5O9"	"671.4469"	"M+K+CF3COOH"	152.95602
"806720"	256.0947	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M"	0
"983533"	237.07631	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-H2O-H"	-19.01839
"76151"	169.722524	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M-3H"	-3.021828
"514620"	255.087424	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M-3H"	-3.021828
"892422"	84.357624	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-3H"	-3.021828
"10993"	255.087424	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M-2H"	-2.014552
"454563"	383.134774	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M-2H"	-2.014552
"825074"	127.040074	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-2H"	-2.014552
"89439"	511.182124	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M-H"	-1.007276
"524626"	767.276824	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M-H"	-1.007276
"899149"	255.087424	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-H"	-1.007276
"50243"	528.208671	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M-2H+NH4"	16.019271
"494177"	784.303371	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M-2H+NH4"	16.019271
"868338"	272.113971	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-2H+NH4"	16.019271
"36969"	533.164066	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M-2H+Na"	20.974666
"477623"	789.258766	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M-2H+Na"	20.974666
"852874"	277.069366	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-2H+Na"	20.974666
"1631155"	277.069366	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Na-2H"	20.974666
"105498"	273.075763	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M-H+Cl"	33.962126
"547246"	401.123113	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M-H+Cl"	33.962126
"940761"	145.028413	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-H+Cl"	33.962126
"281505"	547.158802	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+Cl"	34.969402
"671739"	803.253502	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+Cl"	34.969402
"1283050"	291.064102	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Cl"	34.969402
"25608"	549.138006	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M-2H+K"	36.948606
"465167"	805.232706	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M-2H+K"	36.948606
"839688"	293.043306	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-2H+K"	36.948606
"1563178"	293.043306	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+K-2H"	36.948606
"954341"	301.092894	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-H+HCOOH"	44.998194
"368182"	557.187601	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+HCOOH-H"	44.998201
"357533"	571.203251	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+Hac-H"	59.013851
"1501991"	315.108551	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Hac-H"	59.013851
"967348"	323.074851	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-H+NaCOOH"	66.980151
"119536"	291.064102	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+2Cl"	69.938804
"563835"	419.111452	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+2Cl"	69.938804
"1028991"	163.016752	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2Cl"	69.938804
"1247476"	335.013585	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Br"	78.918885
"1308832"	337.069572	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Cl+HCOOH"	80.974872
"1325233"	359.051529	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Cl+NaCOOH"	102.956829
"915199"	369.080286	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M-H+CF3COOH"	112.985586
"1293002"	405.056964	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Cl+CF3COOH"	148.962264
"1368005"	221.082024	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H-2H2O"	-35.012676
"1384651"	239.092	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H-H2O"	-17.0027
"286161"	513.196676	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+H"	1.007276
"679674"	769.291376	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+H"	1.007276
"1357118"	257.101976	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H"	1.007276
"131099"	257.101976	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+2H"	2.014552
"570669"	385.149326	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+2H"	2.014552
"1042756"	129.054626	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2H"	2.014552
"207009"	171.737076	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+3H"	3.021828
"648027"	257.101976	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+3H"	3.021828
"1166519"	86.372176	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+3H"	3.021828
"429058"	530.223223	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+NH4"	18.033823
"790053"	786.317923	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+NH4"	18.033823
"1684198"	274.128523	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+NH4"	18.033823
"331749"	265.6152495	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+H+NH4"	19.041099
"724175"	393.6625995	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+H+NH4"	19.041099
"1478846"	137.5678995	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H+NH4"	19.041099
"397043"	535.178618	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+Na"	22.989218
"755971"	791.273318	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+Na"	22.989218
"1603582"	279.083918	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Na"	22.989218
"314947"	268.092947	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+H+Na"	23.996494
"708228"	396.140297	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+H+Na"	23.996494
"1461682"	140.045597	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H+Na"	23.996494
"1052900"	93.69949	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2H+Na"	25.00377
"1257459"	289.128186	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+CH3OH+H"	33.033486
"377695"	551.152558	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+K"	38.963158
"738765"	807.247258	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+K"	38.963158
"1540174"	295.057858	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+K"	38.963158
"300876"	276.079917	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+H+K"	39.970434
"692083"	404.127267	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+H+K"	39.970434
"1447487"	148.032567	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H+K"	39.970434
"238638"	554.223226	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+ACN+H"	42.033826
"1216449"	298.128526	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+ACN+H"	42.033826
"1199240"	149.567901	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+ACN+2H"	43.041102
"192114"	557.16056	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+2Na-H"	44.97116
"629854"	813.25526	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+2Na-H"	44.97116
"1133359"	301.06586	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2Na-H"	44.97116
"181756"	279.083918	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+2Na"	45.978436
"618039"	407.131268	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+2Na"	45.978436
"1123731"	151.036568	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2Na"	45.978436
"1407255"	101.026804	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H+2Na"	46.985712
"1439374"	303.107446	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H+HCOOH"	47.012746
"230164"	284.11694	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+3H2O+2H"	56.04448
"1514945"	317.15949	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+IsoProp+H"	61.06479
"414630"	287.070888	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+Na+K"	61.952376
"773438"	415.118238	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+Na+K"	61.952376
"1677420"	159.023538	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Na+K"	61.952376
"263576"	576.205168	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+ACN+Na"	64.015768
"1237016"	320.110468	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+ACN+Na"	64.015768
"1724810"	320.133993	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+NH4+HCOOH"	64.039293
"1190894"	108.354118	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+3Na"	68.967654
"1650948"	325.089388	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Na+HCOOH"	68.994688
"157807"	589.10844	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+2K-H"	76.91904
"598823"	845.20314	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+2K-H"	76.91904
"1091720"	333.01374	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2K-H"	76.91904
"141606"	295.057858	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"2M+2K"	77.926316
"581546"	423.105208	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"3M+2K"	77.926316
"1068562"	167.010508	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2K"	77.926316
"1100353"	335.028292	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2K+H"	78.933592
"1335925"	335.115907	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+DMSO+H"	79.021207
"1008057"	339.155076	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2ACN+H"	83.060376
"1528866"	340.148708	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+IsoProp+Na+H"	84.054008
"994222"	170.081176	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+2ACN+2H"	84.067652
"1593101"	341.063328	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+K+HCOOH"	84.968628
"1424229"	371.094838	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+H+CF3COOH"	115.000138
"1159622"	190.594451	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+3ACN+2H"	125.094202
"1710997"	388.121385	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+NH4+CF3COOH"	132.026685
"1645189"	393.07678	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+Na+CF3COOH"	136.98208
"1586307"	409.05072	"C11611"	"Phenyl beta-D-glucopyranoside;Phenylglucoside"	"C12H16O6"	"256.0947"	"M+K+CF3COOH"	152.95602
"806832"	866.3963	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M"	0
"975990"	847.37791	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-H2O-H"	-19.01839
"72978"	576.590257333333	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M-3H"	-3.021828
"504888"	865.389024	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M-3H"	-3.021828
"884876"	287.791490666667	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-3H"	-3.021828
"1994"	865.389024	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M-2H"	-2.014552
"445197"	1298.587174	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M-2H"	-2.014552
"820085"	432.190874	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-2H"	-2.014552
"80803"	1731.785324	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M-H"	-1.007276
"520362"	2598.181624	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M-H"	-1.007276
"899257"	865.389024	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-H"	-1.007276
"53641"	1748.811871	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M-2H+NH4"	16.019271
"499762"	2615.208171	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M-2H+NH4"	16.019271
"867355"	882.415571	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-2H+NH4"	16.019271
"39999"	1753.767266	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M-2H+Na"	20.974666
"475911"	2620.163566	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M-2H+Na"	20.974666
"850795"	887.370966	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-2H+Na"	20.974666
"1621057"	887.370966	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Na-2H"	20.974666
"97952"	883.377363	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M-H+Cl"	33.962126
"541888"	1316.575513	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M-H+Cl"	33.962126
"931757"	450.179213	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-H+Cl"	33.962126
"273961"	1767.762002	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+Cl"	34.969402
"665293"	2634.158302	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+Cl"	34.969402
"1280977"	901.365702	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Cl"	34.969402
"19159"	1769.741206	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M-2H+K"	36.948606
"464186"	2636.137506	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M-2H+K"	36.948606
"843082"	903.344906	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-2H+K"	36.948606
"1568756"	903.344906	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+K-2H"	36.948606
"954088"	911.394494	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-H+HCOOH"	44.998194
"366105"	1777.790801	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+HCOOH-H"	44.998201
"357648"	1791.806451	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+Hac-H"	59.013851
"1501014"	925.410151	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Hac-H"	59.013851
"969282"	933.376451	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-H+NaCOOH"	66.980151
"116368"	901.365702	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+2Cl"	69.938804
"557022"	1334.563852	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+2Cl"	69.938804
"1025823"	468.167552	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2Cl"	69.938804
"1246497"	945.315185	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Br"	78.918885
"1308946"	947.371172	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Cl+HCOOH"	80.974872
"1328633"	969.353129	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Cl+NaCOOH"	102.956829
"920784"	979.381886	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M-H+CF3COOH"	112.985586
"1298586"	1015.358564	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Cl+CF3COOH"	148.962264
"1377840"	831.383624	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H-2H2O"	-35.012676
"1388773"	849.3936	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H-H2O"	-17.0027
"286640"	1733.799876	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+H"	1.007276
"682340"	2600.196176	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+H"	1.007276
"1352130"	867.403576	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H"	1.007276
"132321"	867.403576	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+2H"	2.014552
"570787"	1300.601726	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+2H"	2.014552
"1042137"	434.205426	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2H"	2.014552
"208581"	578.604809333333	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+3H"	3.021828
"647412"	867.403576	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+3H"	3.021828
"1166628"	289.806042666667	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+3H"	3.021828
"428438"	1750.826423	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+NH4"	18.033823
"787250"	2617.222723	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+NH4"	18.033823
"1686871"	884.430123	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+NH4"	18.033823
"332967"	875.9168495	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+H+NH4"	19.041099
"724655"	1309.1149995	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+H+NH4"	19.041099
"1479207"	442.7186995	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H+NH4"	19.041099
"394605"	1755.781818	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+Na"	22.989218
"757789"	2622.178118	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+Na"	22.989218
"1605888"	889.385518	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Na"	22.989218
"316285"	878.394547	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+H+Na"	23.996494
"710533"	1311.592697	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+H+Na"	23.996494
"1462288"	445.196397	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H+Na"	23.996494
"1053215"	297.133356666667	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2H+Na"	25.00377
"1266934"	899.429786	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+CH3OH+H"	33.033486
"378219"	1771.755758	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+K"	38.963158
"739937"	2638.152058	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+K"	38.963158
"1548558"	905.359458	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+K"	38.963158
"310838"	886.381517	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+H+K"	39.970434
"702529"	1319.579667	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+H+K"	39.970434
"1449786"	453.183367	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H+K"	39.970434
"241668"	1774.826426	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+ACN+H"	42.033826
"1217662"	908.430126	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+ACN+H"	42.033826
"1204827"	454.718701	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+ACN+2H"	43.041102
"194417"	1777.76376	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+2Na-H"	44.97116
"638352"	2644.16006	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+2Na-H"	44.97116
"1143326"	911.36746	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2Na-H"	44.97116
"185155"	889.385518	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+2Na"	45.978436
"624717"	1322.583668	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+2Na"	45.978436
"1126764"	456.187368	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2Na"	45.978436
"1410651"	304.460670666667	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H+2Na"	46.985712
"1440579"	913.409046	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H+HCOOH"	47.012746
"224805"	894.41854	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+3H2O+2H"	56.04448
"1515053"	927.46109	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+IsoProp+H"	61.06479
"413643"	897.372488	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+Na+K"	61.952376
"772818"	1330.570638	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+Na+K"	61.952376
"1672065"	464.174338	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Na+K"	61.952376
"254576"	1796.808368	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+ACN+Na"	64.015768
"1233480"	930.412068	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+ACN+Na"	64.015768
"1718002"	930.435593	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+NH4+HCOOH"	64.039293
"1183720"	311.787984666667	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+3Na"	68.967654
"1651424"	935.390988	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Na+HCOOH"	68.994688
"157917"	1809.71164	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+2K-H"	76.91904
"597638"	2676.10794	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+2K-H"	76.91904
"1085276"	943.31534	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2K-H"	76.91904
"146468"	905.359458	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"2M+2K"	77.926316
"592592"	1338.557608	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"3M+2K"	77.926316
"1073092"	472.161308	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2K"	77.926316
"1103748"	945.329892	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2K+H"	78.933592
"1344511"	945.417507	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+DMSO+H"	79.021207
"1017418"	949.456676	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2ACN+H"	83.060376
"1535545"	950.450308	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+IsoProp+Na+H"	84.054008
"1003092"	475.231976	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+2ACN+2H"	84.067652
"1601600"	951.364928	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+K+HCOOH"	84.968628
"1426537"	981.396438	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+H+CF3COOH"	115.000138
"1160103"	495.745251	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+3ACN+2H"	125.094202
"1710387"	998.422985	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+NH4+CF3COOH"	132.026685
"1649314"	1003.37838	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+Na+CF3COOH"	136.98208
"1586419"	1019.35232	"C11615"	"Pristinamycin IA;Vernamycin B alpha;Mikamycin B;4-4-(Dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1;Streptogramin B"	"C45H54N8O10"	"866.3963"	"M+K+CF3COOH"	152.95602
"806942"	852.3806	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M"	0
"981567"	833.36221	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H2O-H"	-19.01839
"76004"	567.246457333333	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-3H"	-3.021828
"509370"	851.373324	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-3H"	-3.021828
"888266"	283.119590666667	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-3H"	-3.021828
"2469"	851.373324	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H"	-2.014552
"445308"	1277.563624	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H"	-2.014552
"824205"	425.183024	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H"	-2.014552
"82008"	1703.753924	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-H"	-1.007276
"522660"	2556.134524	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-H"	-1.007276
"900461"	851.373324	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H"	-1.007276
"61406"	1720.780471	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H+NH4"	16.019271
"501575"	2573.161071	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H+NH4"	16.019271
"874393"	868.399871	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H+NH4"	16.019271
"37194"	1725.735866	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H+Na"	20.974666
"480762"	2578.116466	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H+Na"	20.974666
"852001"	873.355266	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H+Na"	20.974666
"1623721"	873.355266	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na-2H"	20.974666
"103531"	869.361663	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-H+Cl"	33.962126
"549782"	1295.551963	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-H+Cl"	33.962126
"933326"	443.171363	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+Cl"	33.962126
"275164"	1739.730602	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Cl"	34.969402
"667590"	2592.111202	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+Cl"	34.969402
"1278900"	887.350002	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl"	34.969402
"24736"	1741.709806	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H+K"	36.948606
"464295"	2594.090406	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H+K"	36.948606
"845381"	889.329206	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H+K"	36.948606
"1567774"	889.329206	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K-2H"	36.948606
"954200"	897.378794	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+HCOOH"	44.998194
"368403"	1749.759401	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+HCOOH-H"	44.998201
"353382"	1763.775051	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Hac-H"	59.013851
"1504404"	911.394451	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Hac-H"	59.013851
"969756"	919.360751	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+NaCOOH"	66.980151
"115749"	887.350002	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2Cl"	69.938804
"559319"	1313.540302	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2Cl"	69.938804
"1029210"	461.159702	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2Cl"	69.938804
"1245512"	931.299485	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Br"	78.918885
"1309056"	933.355472	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl+HCOOH"	80.974872
"1330931"	955.337429	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl+NaCOOH"	102.956829
"920894"	965.366186	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+CF3COOH"	112.985586
"1301976"	1001.342864	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl+CF3COOH"	148.962264
"1381230"	817.367924	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H-2H2O"	-35.012676
"1388884"	835.3779	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H-H2O"	-17.0027
"289666"	1705.768476	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H"	1.007276
"685366"	2558.149076	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H"	1.007276
"1356254"	853.387876	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H"	1.007276
"129152"	853.387876	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2H"	2.014552
"567981"	1279.578176	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2H"	2.014552
"1040425"	427.197576	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2H"	2.014552
"207598"	569.261009333333	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+3H"	3.021828
"649347"	853.387876	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+3H"	3.021828
"1167470"	285.134142666667	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+3H"	3.021828
"430743"	1722.795023	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+NH4"	18.033823
"787361"	2575.175623	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+NH4"	18.033823
"1684795"	870.414423	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+NH4"	18.033823
"334170"	861.9011495	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H+NH4"	19.041099
"725131"	1288.0914495	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H+NH4"	19.041099
"1480411"	435.7108495	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+NH4"	19.041099
"396900"	1727.750418	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Na"	22.989218
"757899"	2580.131018	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+Na"	22.989218
"1604904"	875.369818	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na"	22.989218
"318586"	864.378847	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H+Na"	23.996494
"715017"	1290.569147	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H+Na"	23.996494
"1464464"	438.188547	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+Na"	23.996494
"1055522"	292.461456666667	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2H+Na"	25.00377
"1267044"	885.414086	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+CH3OH+H"	33.033486
"378689"	1743.724358	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+K"	38.963158
"740412"	2596.104958	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+K"	38.963158
"1544294"	891.343758	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K"	38.963158
"301104"	872.365817	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H+K"	39.970434
"693158"	1298.556117	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H+K"	39.970434
"1446975"	446.175517	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+K"	39.970434
"237400"	1746.795026	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+ACN+H"	42.033826
"1214490"	894.414426	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+ACN+H"	42.033826
"1203844"	447.710851	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+ACN+2H"	43.041102
"195620"	1749.73236	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2Na-H"	44.97116
"638462"	2602.11296	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2Na-H"	44.97116
"1141968"	897.35176	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2Na-H"	44.97116
"187082"	875.369818	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2Na"	45.978436
"625556"	1301.560118	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2Na"	45.978436
"1128697"	449.179518	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2Na"	45.978436
"1410762"	299.788770666667	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+2Na"	46.985712
"1442876"	899.393346	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+HCOOH"	47.012746
"229290"	880.40284	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+3H2O+2H"	56.04448
"1514071"	913.44539	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+IsoProp+H"	61.06479
"413025"	883.356788	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Na+K"	61.952376
"774752"	1309.547088	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+Na+K"	61.952376
"1674362"	457.166488	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na+K"	61.952376
"258694"	1768.776968	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+ACN+Na"	64.015768
"1234685"	916.396368	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+ACN+Na"	64.015768
"1714832"	916.419893	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+NH4+HCOOH"	64.039293
"1182373"	307.116084666667	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+3Na"	68.967654
"1651167"	921.375288	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na+HCOOH"	68.994688
"158510"	1781.68024	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2K-H"	76.91904
"600504"	2634.06084	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2K-H"	76.91904
"1086843"	929.29964	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2K-H"	76.91904
"145485"	891.343758	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2K"	77.926316
"585042"	1317.534058	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2K"	77.926316
"1072835"	465.153458	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2K"	77.926316
"1103856"	931.314192	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2K+H"	78.933592
"1342435"	931.401807	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+DMSO+H"	79.021207
"1008048"	935.440976	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2ACN+H"	83.060376
"1530187"	936.434608	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+IsoProp+Na+H"	84.054008
"1005266"	468.224126	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2ACN+2H"	84.067652
"1596606"	937.349228	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K+HCOOH"	84.968628
"1427009"	967.380738	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+CF3COOH"	115.000138
"1160215"	488.737401	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+3ACN+2H"	125.094202
"1711588"	984.407285	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+NH4+CF3COOH"	132.026685
"1649060"	989.36268	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na+CF3COOH"	136.98208
"1586529"	1005.33662	"C11616"	"Pristinamycin IB;Vernamycin B beta;Efepristin;4-N-Methyl-4-(methylamino)-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K+CF3COOH"	152.95602
"807052"	852.3806	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M"	0
"977304"	833.36221	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H2O-H"	-19.01839
"67733"	567.246457333333	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-3H"	-3.021828
"507295"	851.373324	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-3H"	-3.021828
"885097"	283.119590666667	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-3H"	-3.021828
"9141"	851.373324	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H"	-2.014552
"441410"	1277.563624	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H"	-2.014552
"823222"	425.183024	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H"	-2.014552
"82118"	1703.753924	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-H"	-1.007276
"522770"	2556.134524	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-H"	-1.007276
"901665"	851.373324	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H"	-1.007276
"56049"	1720.780471	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H+NH4"	16.019271
"500713"	2573.161071	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H+NH4"	16.019271
"876692"	868.399871	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H+NH4"	16.019271
"37304"	1725.735866	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H+Na"	20.974666
"481966"	2578.116466	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H+Na"	20.974666
"851747"	873.355266	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H+Na"	20.974666
"1626020"	873.355266	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na-2H"	20.974666
"102548"	869.361663	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-H+Cl"	33.962126
"543202"	1295.551963	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-H+Cl"	33.962126
"933437"	443.171363	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+Cl"	33.962126
"274181"	1739.730602	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Cl"	34.969402
"665513"	2592.111202	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+Cl"	34.969402
"1279011"	887.350002	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl"	34.969402
"20472"	1741.709806	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M-2H+K"	36.948606
"462218"	2594.090406	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M-2H+K"	36.948606
"842207"	889.329206	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-2H+K"	36.948606
"1561321"	889.329206	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K-2H"	36.948606
"952483"	897.378794	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+HCOOH"	44.998194
"366325"	1749.759401	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+HCOOH-H"	44.998201
"356774"	1763.775051	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Hac-H"	59.013851
"1497588"	911.394451	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Hac-H"	59.013851
"969866"	919.360751	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+NaCOOH"	66.980151
"118775"	887.350002	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2Cl"	69.938804
"553233"	1313.540302	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2Cl"	69.938804
"1027133"	461.159702	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2Cl"	69.938804
"1243070"	931.299485	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Br"	78.918885
"1306250"	933.355472	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl+HCOOH"	80.974872
"1328853"	955.337429	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl+NaCOOH"	102.956829
"921004"	965.366186	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M-H+CF3COOH"	112.985586
"1298806"	1001.342864	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Cl+CF3COOH"	148.962264
"1378060"	817.367924	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H-2H2O"	-35.012676
"1390088"	835.3779	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H-H2O"	-17.0027
"289047"	1705.768476	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H"	1.007276
"685476"	2558.149076	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H"	1.007276
"1352716"	853.387876	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H"	1.007276
"133627"	853.387876	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2H"	2.014552
"574285"	1279.578176	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2H"	2.014552
"1038344"	427.197576	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2H"	2.014552
"207340"	569.261009333333	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+3H"	3.021828
"647270"	853.387876	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+3H"	3.021828
"1166487"	285.134142666667	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+3H"	3.021828
"428667"	1722.795023	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+NH4"	18.033823
"785891"	2575.175623	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+NH4"	18.033823
"1681337"	870.414423	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+NH4"	18.033823
"330252"	861.9011495	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H+NH4"	19.041099
"722913"	1288.0914495	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H+NH4"	19.041099
"1483431"	435.7108495	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+NH4"	19.041099
"398102"	1727.750418	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Na"	22.989218
"756548"	2580.131018	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+Na"	22.989218
"1606107"	875.369818	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na"	22.989218
"318696"	864.378847	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H+Na"	23.996494
"715127"	1290.569147	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H+Na"	23.996494
"1464574"	438.188547	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+Na"	23.996494
"1056725"	292.461456666667	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2H+Na"	25.00377
"1262781"	885.414086	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+CH3OH+H"	33.033486
"379164"	1743.724358	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+K"	38.963158
"739794"	2596.104958	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+K"	38.963158
"1541850"	891.343758	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K"	38.963158
"302672"	872.365817	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+H+K"	39.970434
"692295"	1298.556117	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+H+K"	39.970434
"1450368"	446.175517	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+K"	39.970434
"238605"	1746.795026	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+ACN+H"	42.033826
"1212047"	894.414426	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+ACN+H"	42.033826
"1205048"	447.710851	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+ACN+2H"	43.041102
"195731"	1749.73236	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2Na-H"	44.97116
"632738"	2602.11296	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2Na-H"	44.97116
"1135881"	897.35176	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2Na-H"	44.97116
"185369"	875.369818	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2Na"	45.978436
"626395"	1301.560118	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2Na"	45.978436
"1127348"	449.179518	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2Na"	45.978436
"1410871"	299.788770666667	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+2Na"	46.985712
"1442986"	899.393346	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+HCOOH"	47.012746
"230494"	880.40284	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+3H2O+2H"	56.04448
"1513088"	913.44539	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+IsoProp+H"	61.06479
"413865"	883.356788	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+Na+K"	61.952376
"775955"	1309.547088	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+Na+K"	61.952376
"1674472"	457.166488	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na+K"	61.952376
"257711"	1768.776968	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+ACN+Na"	64.015768
"1235890"	916.396368	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+ACN+Na"	64.015768
"1716762"	916.419893	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+NH4+HCOOH"	64.039293
"1182847"	307.116084666667	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+3Na"	68.967654
"1652005"	921.375288	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na+HCOOH"	68.994688
"160323"	1781.68024	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2K-H"	76.91904
"599884"	2634.06084	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2K-H"	76.91904
"1084882"	929.29964	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2K-H"	76.91904
"146688"	891.343758	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"2M+2K"	77.926316
"586245"	1317.534058	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"3M+2K"	77.926316
"1072946"	465.153458	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2K"	77.926316
"1101535"	931.314192	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2K+H"	78.933592
"1341450"	931.401807	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+DMSO+H"	79.021207
"1009250"	935.440976	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2ACN+H"	83.060376
"1533577"	936.434608	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+IsoProp+Na+H"	84.054008
"1002212"	468.224126	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+2ACN+2H"	84.067652
"1597809"	937.349228	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K+HCOOH"	84.968628
"1429548"	967.380738	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+H+CF3COOH"	115.000138
"1161417"	488.737401	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+3ACN+2H"	125.094202
"1712060"	984.407285	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+NH4+CF3COOH"	132.026685
"1649657"	989.36268	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+Na+CF3COOH"	136.98208
"1586639"	1005.33662	"C11617"	"Pristinamycin IC;Vernamycin B gamma;2-D-Alanine-4-4-(dimethylamino)-N-methyl-L-phenylalaninevirginiamycin S1"	"C44H52N8O10"	"852.3806"	"M+K+CF3COOH"	152.95602
"807162"	543.1764	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M"	0
"983975"	524.15801	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-H2O-H"	-19.01839
"73311"	361.110324	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M-3H"	-3.021828
"505218"	542.169124	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M-3H"	-3.021828
"887395"	180.051524	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-3H"	-3.021828
"9251"	542.169124	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M-2H"	-2.014552
"443343"	813.757324	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M-2H"	-2.014552
"823332"	270.580924	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-2H"	-2.014552
"83321"	1085.345524	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M-H"	-1.007276
"523244"	1628.521924	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M-H"	-1.007276
"902868"	542.169124	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-H"	-1.007276
"56159"	1102.372071	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M-2H+NH4"	16.019271
"500094"	1645.548471	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M-2H+NH4"	16.019271
"876802"	559.195671	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-2H+NH4"	16.019271
"37050"	1107.327466	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M-2H+Na"	20.974666
"477702"	1650.503866	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M-2H+Na"	20.974666
"850035"	564.151066	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-2H+Na"	20.974666
"1622850"	564.151066	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Na-2H"	20.974666
"101564"	560.157463	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M-H+Cl"	33.962126
"537845"	831.745663	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M-H+Cl"	33.962126
"933546"	288.569263	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-H+Cl"	33.962126
"272104"	1121.322202	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+Cl"	34.969402
"664527"	1664.498602	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+Cl"	34.969402
"1282402"	578.145802	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Cl"	34.969402
"21676"	1123.301406	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M-2H+K"	36.948606
"460142"	1666.477806	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M-2H+K"	36.948606
"837944"	580.125006	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-2H+K"	36.948606
"1558151"	580.125006	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+K-2H"	36.948606
"951500"	588.174594	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-H+HCOOH"	44.998194
"365343"	1131.351001	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+HCOOH-H"	44.998201
"359072"	1145.366651	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+Hac-H"	59.013851
"1502437"	602.190251	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Hac-H"	59.013851
"969612"	610.156551	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-H+NaCOOH"	66.980151
"117792"	578.145802	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+2Cl"	69.938804
"552979"	849.734002	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+2Cl"	69.938804
"1027243"	306.557602	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2Cl"	69.938804
"1241721"	622.095285	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Br"	78.918885
"1306360"	624.151272	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Cl+HCOOH"	80.974872
"1332243"	646.133229	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Cl+NaCOOH"	102.956829
"914554"	656.161986	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M-H+CF3COOH"	112.985586
"1295635"	692.138664	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Cl+CF3COOH"	148.962264
"1371608"	508.163724	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H-2H2O"	-35.012676
"1383148"	526.1737	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H-H2O"	-17.0027
"292073"	1087.360076	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+H"	1.007276
"685586"	1630.536476	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+H"	1.007276
"1353190"	544.183676	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H"	1.007276
"128633"	544.183676	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+2H"	2.014552
"571115"	815.771876	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+2H"	2.014552
"1042465"	272.595476	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2H"	2.014552
"206722"	363.124876	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+3H"	3.021828
"651754"	544.183676	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+3H"	3.021828
"1167691"	182.066076	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+3H"	3.021828
"426587"	1104.386623	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+NH4"	18.033823
"786249"	1647.563023	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+NH4"	18.033823
"1681314"	561.210223	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+NH4"	18.033823
"330055"	552.6969495	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+H+NH4"	19.041099
"722877"	824.2851495	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+H+NH4"	19.041099
"1485000"	281.1087495	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H+NH4"	19.041099
"395542"	1109.342018	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+Na"	22.989218
"760304"	1652.518418	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+Na"	22.989218
"1607310"	566.165618	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Na"	22.989218
"321724"	555.174647	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+H+Na"	23.996494
"714144"	826.762847	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+H+Na"	23.996494
"1464684"	283.586447	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H+Na"	23.996494
"1056835"	189.39339	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2H+Na"	25.00377
"1263984"	576.209886	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+CH3OH+H"	33.033486
"378182"	1125.315958	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+K"	38.963158
"740268"	1668.492358	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+K"	38.963158
"1542690"	582.139558	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+K"	38.963158
"300957"	563.161617	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+H+K"	39.970434
"694837"	834.749817	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+H+K"	39.970434
"1449385"	291.573417	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H+K"	39.970434
"239079"	1128.386626	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+ACN+H"	42.033826
"1211793"	585.210226	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+ACN+H"	42.033826
"1208074"	293.108751	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+ACN+2H"	43.041102
"196935"	1131.32396	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+2Na-H"	44.97116
"637589"	1674.50036	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+2Na-H"	44.97116
"1142918"	588.14756	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2Na-H"	44.97116
"186208"	566.165618	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+2Na"	45.978436
"621395"	837.753818	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+2Na"	45.978436
"1127459"	294.577418	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2Na"	45.978436
"1408795"	196.720704	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H+2Na"	46.985712
"1440911"	590.189146	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H+HCOOH"	47.012746
"230605"	571.19864	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+3H2O+2H"	56.04448
"1516480"	604.24119	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+IsoProp+H"	61.06479
"415071"	574.152588	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+Na+K"	61.952376
"777159"	845.740788	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+Na+K"	61.952376
"1675312"	302.564388	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Na+K"	61.952376
"257822"	1150.368568	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+ACN+Na"	64.015768
"1234907"	607.192168	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+ACN+Na"	64.015768
"1718332"	607.215693	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+NH4+HCOOH"	64.039293
"1182593"	204.048018	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+3Na"	68.967654
"1653210"	612.171088	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Na+HCOOH"	68.994688
"159705"	1163.27184	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+2K-H"	76.91904
"601453"	1706.44824	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+2K-H"	76.91904
"1086694"	620.09544	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2K-H"	76.91904
"146798"	582.139558	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"2M+2K"	77.926316
"586355"	853.727758	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"3M+2K"	77.926316
"1074148"	310.551358	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2K"	77.926316
"1102617"	622.109992	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2K+H"	78.933592
"1341560"	622.197607	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+DMSO+H"	79.021207
"1009361"	626.236776	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2ACN+H"	83.060376
"1532593"	627.230408	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+IsoProp+Na+H"	84.054008
"1001229"	313.622026	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+2ACN+2H"	84.067652
"1594639"	628.145028	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+K+HCOOH"	84.968628
"1429049"	658.176538	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+H+CF3COOH"	115.000138
"1161892"	334.135301	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+3ACN+2H"	125.094202
"1712170"	675.203085	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+NH4+CF3COOH"	132.026685
"1648912"	680.15848	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+Na+CF3COOH"	136.98208
"1586749"	696.13242	"C11618"	"Puromycin dihydrochloride"	"C22H29N7O52HCl"	"543.1764"	"M+K+CF3COOH"	152.95602
"807272"	404.1117	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M"	0
"986272"	385.09331	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-H2O-H"	-19.01839
"73421"	268.400524	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M-3H"	-3.021828
"504235"	403.104424	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M-3H"	-3.021828
"882037"	133.696624	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-3H"	-3.021828
"977"	403.104424	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M-2H"	-2.014552
"441265"	605.160274	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M-2H"	-2.014552
"823442"	201.048574	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-2H"	-2.014552
"85618"	807.216124	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M-H"	-1.007276
"522991"	1211.327824	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M-H"	-1.007276
"900791"	403.104424	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-H"	-1.007276
"56269"	824.242671	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M-2H+NH4"	16.019271
"500571"	1228.354371	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M-2H+NH4"	16.019271
"876791"	420.130971	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-2H+NH4"	16.019271
"37160"	829.198066	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M-2H+Na"	20.974666
"475260"	1233.309766	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M-2H+Na"	20.974666
"851602"	425.086366	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-2H+Na"	20.974666
"1624053"	425.086366	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Na-2H"	20.974666
"102769"	421.092763	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M-H+Cl"	33.962126
"539049"	623.148613	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M-H+Cl"	33.962126
"933656"	219.036913	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-H+Cl"	33.962126
"273308"	843.192802	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+Cl"	34.969402
"671198"	1247.304502	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+Cl"	34.969402
"1282512"	439.081102	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Cl"	34.969402
"21786"	845.172006	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M-2H+K"	36.948606
"462439"	1249.283706	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M-2H+K"	36.948606
"842427"	441.060306	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-2H+K"	36.948606
"1563728"	441.060306	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+K-2H"	36.948606
"950516"	449.109894	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-H+HCOOH"	44.998194
"369827"	853.221601	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+HCOOH-H"	44.998201
"355900"	867.237251	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+Hac-H"	59.013851
"1501452"	463.125551	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Hac-H"	59.013851
"968628"	471.091851	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-H+NaCOOH"	66.980151
"114620"	439.081102	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+2Cl"	69.938804
"552357"	641.136952	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+2Cl"	69.938804
"1025166"	237.025252	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2Cl"	69.938804
"1241546"	483.030585	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Br"	78.918885
"1306470"	485.086572	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Cl+HCOOH"	80.974872
"1329074"	507.068529	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Cl+NaCOOH"	102.956829
"914663"	517.097286	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M-H+CF3COOH"	112.985586
"1292465"	553.073964	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Cl+CF3COOH"	148.962264
"1371718"	369.099024	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H-2H2O"	-35.012676
"1383988"	387.109	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H-H2O"	-17.0027
"285622"	809.230676	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+H"	1.007276
"679136"	1213.342376	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+H"	1.007276
"1353300"	405.118976	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H"	1.007276
"128743"	405.118976	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+2H"	2.014552
"573412"	607.174826	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+2H"	2.014552
"1042211"	203.063126	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2H"	2.014552
"208291"	270.415076	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+3H"	3.021828
"651864"	405.118976	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+3H"	3.021828
"1167801"	135.711176	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+3H"	3.021828
"428883"	826.257223	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+NH4"	18.033823
"787697"	1230.368923	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+NH4"	18.033823
"1681834"	422.145523	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+NH4"	18.033823
"330116"	413.6322495	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+H+NH4"	19.041099
"723096"	615.6880995	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+H+NH4"	19.041099
"1486203"	211.5763995	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H+NH4"	19.041099
"397232"	831.212618	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+Na"	22.989218
"761507"	1235.324318	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+Na"	22.989218
"1607420"	427.100918	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Na"	22.989218
"322927"	416.109947	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+H+Na"	23.996494
"714254"	618.165797	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+H+Na"	23.996494
"1466981"	214.054097	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H+Na"	23.996494
"1054755"	143.03849	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2H+Na"	25.00377
"1263001"	437.145186	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+CH3OH+H"	33.033486
"380479"	847.186558	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+K"	38.963158
"739771"	1251.298258	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+K"	38.963158
"1542436"	443.074858	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+K"	38.963158
"301063"	424.096917	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+H+K"	39.970434
"694580"	626.152767	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+H+K"	39.970434
"1449129"	222.041067	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H+K"	39.970434
"240282"	850.257226	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+ACN+H"	42.033826
"1212996"	446.145526	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+ACN+H"	42.033826
"1196155"	223.576401	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+ACN+2H"	43.041102
"195952"	853.19456	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+2Na-H"	44.97116
"636606"	1257.30626	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+2Na-H"	44.97116
"1141935"	449.08286	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2Na-H"	44.97116
"184132"	427.100918	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+2Na"	45.978436
"621505"	629.156768	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+2Na"	45.978436
"1125382"	225.045068	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2Na"	45.978436
"1408540"	150.365804	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H+2Na"	46.985712
"1441750"	451.124446	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H+HCOOH"	47.012746
"227435"	432.13394	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+3H2O+2H"	56.04448
"1512215"	465.17649	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+IsoProp+H"	61.06479
"414087"	435.087888	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+Na+K"	61.952376
"775084"	637.143738	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+Na+K"	61.952376
"1673601"	233.032038	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Na+K"	61.952376
"256839"	872.239168	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+ACN+Na"	64.015768
"1235017"	468.127468	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+ACN+Na"	64.015768
"1716254"	468.150993	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+NH4+HCOOH"	64.039293
"1181972"	157.693118	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+3Na"	68.967654
"1652591"	473.106388	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Na+HCOOH"	68.994688
"160544"	885.14244	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+2K-H"	76.91904
"599740"	1289.25414	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+2K-H"	76.91904
"1086075"	481.03074	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2K-H"	76.91904
"146908"	443.074858	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"2M+2K"	77.926316
"585371"	645.130708	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"3M+2K"	77.926316
"1073165"	241.019008	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2K"	77.926316
"1101999"	483.045292	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2K+H"	78.933592
"1339483"	483.132907	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+DMSO+H"	79.021207
"1008014"	487.172076	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2ACN+H"	83.060376
"1528328"	488.165708	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+IsoProp+Na+H"	84.054008
"1001339"	244.089676	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+2ACN+2H"	84.067652
"1598028"	489.080328	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+K+HCOOH"	84.968628
"1428064"	519.111838	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+H+CF3COOH"	115.000138
"1161637"	264.602951	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+3ACN+2H"	125.094202
"1712605"	536.138385	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+NH4+CF3COOH"	132.026685
"1649022"	541.09378	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+Na+CF3COOH"	136.98208
"1586859"	557.06772	"C11619"	"Spectinomycin dihydrochloride"	"C14H24N2O72HCl"	"404.1117"	"M+K+CF3COOH"	152.95602
"807382"	346.0689	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M"	0
"980914"	327.05051	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H2O-H"	-19.01839
"73530"	229.705324	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-3H"	-3.021828
"510905"	345.061624	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-3H"	-3.021828
"891987"	114.349024	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-3H"	-3.021828
"6190"	345.061624	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H"	-2.014552
"446843"	518.096074	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H"	-2.014552
"827926"	172.027174	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H"	-2.014552
"89008"	691.130524	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-H"	-1.007276
"526380"	1037.199424	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-H"	-1.007276
"907461"	345.061624	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H"	-1.007276
"56379"	708.157071	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H+NH4"	16.019271
"500313"	1054.225971	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H+NH4"	16.019271
"877021"	362.088171	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H+NH4"	16.019271
"40550"	713.112466	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H+Na"	20.974666
"481202"	1059.181366	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H+Na"	20.974666
"853537"	367.043566	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H+Na"	20.974666
"1625256"	367.043566	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na-2H"	20.974666
"108346"	363.049963	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-H+Cl"	33.962126
"544626"	536.084413	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-H+Cl"	33.962126
"935953"	190.015513	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+Cl"	33.962126
"276698"	727.107202	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Cl"	34.969402
"673495"	1073.176102	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+Cl"	34.969402
"1284809"	381.038302	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl"	34.969402
"25177"	729.086406	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M-2H+K"	36.948606
"464736"	1075.155306	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M-2H+K"	36.948606
"842537"	383.017506	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-2H+K"	36.948606
"1563838"	383.017506	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K-2H"	36.948606
"950626"	391.067094	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+HCOOH"	44.998194
"367746"	737.136001	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+HCOOH-H"	44.998201
"354917"	751.151651	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Hac-H"	59.013851
"1499375"	405.082751	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Hac-H"	59.013851
"968009"	413.049051	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+NaCOOH"	66.980151
"113637"	381.038302	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2Cl"	69.938804
"554291"	554.072752	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2Cl"	69.938804
"1029649"	208.003852	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2Cl"	69.938804
"1245951"	424.987785	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Br"	78.918885
"1306214"	427.043772	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl+HCOOH"	80.974872
"1332464"	449.025729	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl+NaCOOH"	102.956829
"918053"	459.054486	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M-H+CF3COOH"	112.985586
"1295855"	495.031164	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Cl+CF3COOH"	148.962264
"1371828"	311.056224	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H-2H2O"	-35.012676
"1383248"	329.0662	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H-H2O"	-17.0027
"291199"	693.145076	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H"	1.007276
"682526"	1039.213976	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H"	1.007276
"1362159"	347.076176	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H"	1.007276
"130675"	347.076176	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2H"	2.014552
"568053"	520.110626	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2H"	2.014552
"1042320"	174.041726	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2H"	2.014552
"205850"	231.719876	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+3H"	3.021828
"653067"	347.076176	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+3H"	3.021828
"1170098"	116.363576	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+3H"	3.021828
"427901"	710.171623	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+NH4"	18.033823
"787807"	1056.240523	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+NH4"	18.033823
"1682798"	364.102723	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+NH4"	18.033823
"332779"	355.5894495	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H+NH4"	19.041099
"724108"	528.6238995	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H+NH4"	19.041099
"1479385"	182.5549995	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+NH4"	19.041099
"400622"	715.127018	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Na"	22.989218
"763804"	1061.195918	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+Na"	22.989218
"1606437"	369.058118	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na"	22.989218
"323037"	358.067147	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H+Na"	23.996494
"708287"	531.101597	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H+Na"	23.996494
"1462352"	185.032697	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+Na"	23.996494
"1053895"	123.69089	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2H+Na"	25.00377
"1262018"	379.102386	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+CH3OH+H"	33.033486
"381682"	731.100958	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+K"	38.963158
"742676"	1077.169858	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+K"	38.963158
"1545826"	385.032058	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K"	38.963158
"302267"	366.054117	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+H+K"	39.970434
"696148"	539.088567	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+H+K"	39.970434
"1449238"	193.019667	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+K"	39.970434
"241850"	734.171626	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+ACN+H"	42.033826
"1215654"	388.102726	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+ACN+H"	42.033826
"1196262"	194.555001	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+ACN+2H"	43.041102
"193145"	737.10896	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2Na-H"	44.97116
"632706"	1083.17786	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2Na-H"	44.97116
"1135848"	391.04006	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2Na-H"	44.97116
"180232"	369.058118	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2Na"	45.978436
"618698"	542.092568	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2Na"	45.978436
"1123305"	196.023668	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2Na"	45.978436
"1404639"	131.018204	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+2Na"	46.985712
"1436754"	393.081646	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+HCOOH"	47.012746
"228637"	374.09114	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+3H2O+2H"	56.04448
"1512325"	407.13369	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+IsoProp+H"	61.06479
"410917"	377.045088	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+Na+K"	61.952376
"775193"	550.079538	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+Na+K"	61.952376
"1671524"	204.010638	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na+K"	61.952376
"255855"	756.153568	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+ACN+Na"	64.015768
"1234034"	410.084668	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+ACN+Na"	64.015768
"1713810"	410.108193	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+NH4+HCOOH"	64.039293
"1180623"	138.345518	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+3Na"	68.967654
"1651972"	415.063588	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na+HCOOH"	68.994688
"158223"	769.05684	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2K-H"	76.91904
"599850"	1115.12574	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2K-H"	76.91904
"1084848"	422.98794	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2K-H"	76.91904
"144100"	385.032058	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"2M+2K"	77.926316
"585845"	558.066508	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"3M+2K"	77.926316
"1072181"	211.997608	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2K"	77.926316
"1101743"	425.002492	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2K+H"	78.933592
"1339957"	425.090107	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+DMSO+H"	79.021207
"1009216"	429.129276	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2ACN+H"	83.060376
"1528438"	430.122908	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+IsoProp+Na+H"	84.054008
"1001449"	215.068276	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+2ACN+2H"	84.067652
"1598138"	431.037528	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K+HCOOH"	84.968628
"1428174"	461.069038	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+H+CF3COOH"	115.000138
"1160654"	235.581551	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+3ACN+2H"	125.094202
"1712028"	478.095585	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+NH4+CF3COOH"	132.026685
"1649132"	483.05098	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+Na+CF3COOH"	136.98208
"1586969"	499.02492	"C11620"	"Syringetin;35-O-Dimethylmyricetin;3574-Tetrahydroxy-35-dimethoxyflavone"	"C17H14O8"	"346.0689"	"M+K+CF3COOH"	152.95602
"807492"	268.0736	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M"	0
"984304"	249.05521	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-H2O-H"	-19.01839
"71453"	177.708457333333	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M-3H"	-3.021828
"508828"	267.066324	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M-3H"	-3.021828
"888817"	88.3505906666667	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-3H"	-3.021828
"6300"	267.066324	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M-2H"	-2.014552
"446953"	401.103124	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M-2H"	-2.014552
"830222"	133.029524	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-2H"	-2.014552
"88025"	535.139924	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M-H"	-1.007276
"523211"	803.213524	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M-H"	-1.007276
"903198"	267.066324	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-H"	-1.007276
"56489"	552.166471	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M-2H+NH4"	16.019271
"499330"	820.240071	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M-2H+NH4"	16.019271
"877131"	284.092871	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-2H+NH4"	16.019271
"40660"	557.121866	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M-2H+Na"	20.974666
"481312"	825.195466	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M-2H+Na"	20.974666
"853647"	289.048266	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-2H+Na"	20.974666
"1626460"	289.048266	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Na-2H"	20.974666
"109308"	285.054663	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M-H+Cl"	33.962126
"545830"	419.091463	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M-H+Cl"	33.962126
"936063"	151.017863	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-H+Cl"	33.962126
"275715"	571.116602	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+Cl"	34.969402
"673605"	839.190202	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+Cl"	34.969402
"1284919"	303.043002	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Cl"	34.969402
"27473"	573.095806	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M-2H+K"	36.948606
"464846"	841.169406	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M-2H+K"	36.948606
"842647"	305.022206	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-2H+K"	36.948606
"1567228"	305.022206	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+K-2H"	36.948606
"950736"	313.071794	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-H+HCOOH"	44.998194
"366763"	581.145401	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+HCOOH-H"	44.998201
"353933"	595.161051	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+Hac-H"	59.013851
"1499485"	327.087451	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Hac-H"	59.013851
"967026"	335.053751	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-H+NaCOOH"	66.980151
"114111"	303.043002	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+2Cl"	69.938804
"555494"	437.079802	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+2Cl"	69.938804
"1029759"	169.006202	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2Cl"	69.938804
"1247154"	346.992485	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Br"	78.918885
"1305229"	349.048472	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Cl+HCOOH"	80.974872
"1331847"	371.030429	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Cl+NaCOOH"	102.956829
"917070"	381.059186	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M-H+CF3COOH"	112.985586
"1294871"	417.035864	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Cl+CF3COOH"	148.962264
"1369022"	233.060924	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H-2H2O"	-35.012676
"1383277"	251.0709	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H-H2O"	-17.0027
"291309"	537.154476	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+H"	1.007276
"682636"	805.228076	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+H"	1.007276
"1355706"	269.080876	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H"	1.007276
"129692"	269.080876	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+2H"	2.014552
"570710"	403.117676	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+2H"	2.014552
"1040968"	135.044076	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2H"	2.014552
"204615"	179.723009333333	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+3H"	3.021828
"644669"	269.080876	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+3H"	3.021828
"1168021"	90.3651426666667	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+3H"	3.021828
"425824"	554.181023	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+NH4"	18.033823
"787917"	822.254623	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+NH4"	18.033823
"1682420"	286.107423	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+NH4"	18.033823
"331425"	277.5941495	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+H+NH4"	19.041099
"722997"	411.6309495	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+H+NH4"	19.041099
"1479131"	143.5573495	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H+NH4"	19.041099
"402916"	559.136418	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+Na"	22.989218
"765006"	827.210018	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+Na"	22.989218
"1609824"	291.062818	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Na"	22.989218
"319862"	280.071847	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+H+Na"	23.996494
"711190"	414.108647	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+H+Na"	23.996494
"1466104"	146.035047	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H+Na"	23.996494
"1054975"	97.6924566666667	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2H+Na"	25.00377
"1262125"	301.107086	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+CH3OH+H"	33.033486
"380699"	575.110358	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+K"	38.963158
"739865"	843.183958	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+K"	38.963158
"1543746"	307.036758	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+K"	38.963158
"300553"	288.058817	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+H+K"	39.970434
"693703"	422.095617	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+H+K"	39.970434
"1447887"	154.022017	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H+K"	39.970434
"239039"	578.181026	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+ACN+H"	42.033826
"1213575"	310.107426	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+ACN+H"	42.033826
"1197831"	155.557351	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+ACN+2H"	43.041102
"192156"	581.11836	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+2Na-H"	44.97116
"630988"	849.19196	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+2Na-H"	44.97116
"1138142"	313.04476	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2Na-H"	44.97116
"181432"	291.062818	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+2Na"	45.978436
"617713"	425.099618	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+2Na"	45.978436
"1121226"	157.026018	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2Na"	45.978436
"1402561"	105.019770666667	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H+2Na"	46.985712
"1433582"	315.086346	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H+HCOOH"	47.012746
"224370"	296.09584	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+3H2O+2H"	56.04448
"1513523"	329.13839	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+IsoProp+H"	61.06479
"411388"	299.049788	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+Na+K"	61.952376
"771654"	433.086588	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+Na+K"	61.952376
"1669080"	165.012988	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Na+K"	61.952376
"259244"	600.162968	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+ACN+Na"	64.015768
"1233049"	332.089368	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+ACN+Na"	64.015768
"1713057"	332.112893	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+NH4+HCOOH"	64.039293
"1179068"	112.347084666667	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+3Na"	68.967654
"1650984"	337.068288	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Na+HCOOH"	68.994688
"158088"	613.06624	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+2K-H"	76.91904
"598380"	881.13984	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+2K-H"	76.91904
"1084587"	344.99264	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2K-H"	76.91904
"143843"	307.036758	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"2M+2K"	77.926316
"584132"	441.073558	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"3M+2K"	77.926316
"1070833"	172.999958	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2K"	77.926316
"1101489"	347.007192	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2K+H"	78.933592
"1337143"	347.094807	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+DMSO+H"	79.021207
"1011511"	351.133976	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2ACN+H"	83.060376
"1528548"	352.127608	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+IsoProp+Na+H"	84.054008
"994997"	176.070626	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+2ACN+2H"	84.067652
"1593874"	353.042228	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+K+HCOOH"	84.968628
"1429013"	383.073738	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+H+CF3COOH"	115.000138
"1160760"	196.583901	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+3ACN+2H"	125.094202
"1708124"	400.100285	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+NH4+CF3COOH"	132.026685
"1642682"	405.05568	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+Na+CF3COOH"	136.98208
"1577238"	421.02962	"C11621"	"Tectochrysin;Techtochrysin"	"C16H12O4"	"268.0736"	"M+K+CF3COOH"	152.95602
"807602"	391.1577	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M"	0
"981134"	372.13931	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-H2O-H"	-19.01839
"71563"	259.764524	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M-3H"	-3.021828
"508938"	390.150424	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M-3H"	-3.021828
"888927"	129.378624	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-3H"	-3.021828
"6410"	390.150424	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M-2H"	-2.014552
"447063"	585.729274	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M-2H"	-2.014552
"824864"	194.571574	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-2H"	-2.014552
"81574"	781.308124	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M-H"	-1.007276
"524415"	1172.465824	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M-H"	-1.007276
"904402"	390.150424	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-H"	-1.007276
"56599"	798.334671	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M-2H+NH4"	16.019271
"499440"	1189.492371	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M-2H+NH4"	16.019271
"878214"	407.176971	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-2H+NH4"	16.019271
"41863"	803.290066	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M-2H+Na"	20.974666
"481422"	1194.447766	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M-2H+Na"	20.974666
"853757"	412.132366	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-2H+Na"	20.974666
"1630943"	412.132366	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Na-2H"	20.974666
"108445"	408.138763	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M-H+Cl"	33.962126
"547033"	603.717613	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M-H+Cl"	33.962126
"933986"	212.559913	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-H+Cl"	33.962126
"273638"	817.284802	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+Cl"	34.969402
"673715"	1208.442502	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+Cl"	34.969402
"1285029"	426.127102	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Cl"	34.969402
"26490"	819.264006	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M-2H+K"	36.948606
"464956"	1210.421706	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M-2H+K"	36.948606
"840570"	428.106306	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-2H+K"	36.948606
"1569525"	428.106306	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+K-2H"	36.948606
"950846"	436.155894	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-H+HCOOH"	44.998194
"365780"	827.313601	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+HCOOH-H"	44.998201
"354041"	841.329251	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+Hac-H"	59.013851
"1498501"	450.171551	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Hac-H"	59.013851
"967136"	458.137851	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-H+NaCOOH"	66.980151
"116044"	426.127102	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+2Cl"	69.938804
"555604"	621.705952	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+2Cl"	69.938804
"1028776"	230.548252	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2Cl"	69.938804
"1248358"	470.076585	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Br"	78.918885
"1304974"	472.132572	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Cl+HCOOH"	80.974872
"1333049"	494.114529	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Cl+NaCOOH"	102.956829
"916451"	504.143286	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M-H+CF3COOH"	112.985586
"1295345"	540.119964	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Cl+CF3COOH"	148.962264
"1369132"	356.145024	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H-2H2O"	-35.012676
"1385169"	374.155	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H-H2O"	-17.0027
"290326"	783.322676	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+H"	1.007276
"682746"	1174.480376	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+H"	1.007276
"1351561"	392.164976	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H"	1.007276
"133080"	392.164976	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+2H"	2.014552
"568269"	587.743826	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+2H"	2.014552
"1041443"	196.586126	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2H"	2.014552
"204606"	261.779076	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+3H"	3.021828
"644899"	392.164976	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+3H"	3.021828
"1171411"	131.393176	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+3H"	3.021828
"428122"	800.349223	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+NH4"	18.033823
"789120"	1191.506923	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+NH4"	18.033823
"1682167"	409.191523	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+NH4"	18.033823
"330809"	400.6782495	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+H+NH4"	19.041099
"723109"	596.2570995	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+H+NH4"	19.041099
"1477905"	205.0993995	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H+NH4"	19.041099
"394278"	805.304618	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+Na"	22.989218
"754253"	1196.462318	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+Na"	22.989218
"1606654"	414.146918	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Na"	22.989218
"322158"	403.155947	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+H+Na"	23.996494
"713487"	598.734797	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+H+Na"	23.996494
"1466215"	207.577097	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H+Na"	23.996494
"1056179"	138.72049	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2H+Na"	25.00377
"1263328"	424.191186	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+CH3OH+H"	33.033486
"382996"	821.278558	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+K"	38.963158
"740339"	1212.436258	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+K"	38.963158
"1543856"	430.120858	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+K"	38.963158
"300300"	411.142917	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+H+K"	39.970434
"695636"	606.721767	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+H+K"	39.970434
"1449821"	215.564067	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H+K"	39.970434
"240246"	824.349226	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+ACN+H"	42.033826
"1214052"	433.191526	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+ACN+H"	42.033826
"1197212"	217.099401	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+ACN+2H"	43.041102
"192998"	827.28656	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+2Na-H"	44.97116
"634746"	1218.44426	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+2Na-H"	44.97116
"1138252"	436.12886	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2Na-H"	44.97116
"181542"	414.146918	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+2Na"	45.978436
"620010"	609.725768	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+2Na"	45.978436
"1124616"	218.568068	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2Na"	45.978436
"1401942"	146.047804	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H+2Na"	46.985712
"1433692"	438.170446	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H+HCOOH"	47.012746
"224480"	419.17994	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+3H2O+2H"	56.04448
"1514728"	452.22249	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+IsoProp+H"	61.06479
"411135"	422.133888	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+Na+K"	61.952376
"773224"	617.712738	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+Na+K"	61.952376
"1669555"	226.555038	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Na+K"	61.952376
"257170"	846.331168	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+ACN+Na"	64.015768
"1233160"	455.173468	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+ACN+Na"	64.015768
"1718765"	455.196993	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+NH4+HCOOH"	64.039293
"1178563"	153.375118	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+3Na"	68.967654
"1649969"	460.152388	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Na+HCOOH"	68.994688
"158077"	859.23444	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+2K-H"	76.91904
"598612"	1250.39214	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+2K-H"	76.91904
"1085674"	468.07674	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2K-H"	76.91904
"143589"	430.120858	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"2M+2K"	77.926316
"584607"	625.699708	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"3M+2K"	77.926316
"1070214"	234.542008	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2K"	77.926316
"1101964"	470.091292	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2K+H"	78.933592
"1337618"	470.178907	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+DMSO+H"	79.021207
"1010528"	474.218076	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2ACN+H"	83.060376
"1528658"	475.211708	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+IsoProp+Na+H"	84.054008
"997294"	237.612676	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+2ACN+2H"	84.067652
"1593985"	476.126328	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+K+HCOOH"	84.968628
"1426207"	506.157838	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+H+CF3COOH"	115.000138
"1159777"	258.125951	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+3ACN+2H"	125.094202
"1707141"	523.184385	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+NH4+CF3COOH"	132.026685
"1646072"	528.13978	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+Na+CF3COOH"	136.98208
"1577348"	544.11372	"C11622"	"Tetramethylrosamine"	"C24H24ClN2O"	"391.1577"	"M+K+CF3COOH"	152.95602
"807715"	908.3878	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M"	0
"981248"	889.36941	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-H2O-H"	-19.01839
"70584"	604.584590666667	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M-3H"	-3.021828
"511236"	907.380524	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M-3H"	-3.021828
"890129"	301.788657333333	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-3H"	-3.021828
"5423"	907.380524	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M-2H"	-2.014552
"443889"	1361.574424	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M-2H"	-2.014552
"823878"	453.186624	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-2H"	-2.014552
"87160"	1815.768324	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M-H"	-1.007276
"530006"	2724.156124	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M-H"	-1.007276
"907444"	907.380524	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-H"	-1.007276
"51246"	1832.794871	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M-2H+NH4"	16.019271
"495179"	2741.182671	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M-2H+NH4"	16.019271
"871889"	924.407071	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-2H+NH4"	16.019271
"35413"	1837.750266	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M-2H+Na"	20.974666
"474974"	2746.138066	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M-2H+Na"	20.974666
"851316"	929.362466	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-2H+Na"	20.974666
"1622310"	929.362466	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Na-2H"	20.974666
"108685"	925.368863	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M-H+Cl"	33.962126
"543870"	1379.562763	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M-H+Cl"	33.962126
"934104"	471.174963	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-H+Cl"	33.962126
"274847"	1851.745002	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+Cl"	34.969402
"666173"	2760.132802	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+Cl"	34.969402
"1280763"	943.357202	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Cl"	34.969402
"23321"	1853.724206	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M-2H+K"	36.948606
"466160"	2762.112006	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M-2H+K"	36.948606
"841775"	945.336406	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-2H+K"	36.948606
"1561986"	945.336406	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+K-2H"	36.948606
"954247"	953.385994	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-H+HCOOH"	44.998194
"371369"	1861.773801	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+HCOOH-H"	44.998201
"351972"	1875.789451	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+Hac-H"	59.013851
"1498619"	967.401651	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Hac-H"	59.013851
"965065"	975.367951	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-H+NaCOOH"	66.980151
"117254"	943.357202	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+2Cl"	69.938804
"557911"	1397.551102	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+2Cl"	69.938804
"1022334"	489.163302	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2Cl"	69.938804
"1243375"	987.306685	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Br"	78.918885
"1310928"	989.362672	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Cl+HCOOH"	80.974872
"1327328"	1011.344629	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Cl+NaCOOH"	102.956829
"919480"	1021.373386	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M-H+CF3COOH"	112.985586
"1289260"	1057.350064	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Cl+CF3COOH"	148.962264
"1371071"	873.375124	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H-2H2O"	-35.012676
"1384921"	891.3851	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H-H2O"	-17.0027
"284974"	1817.782876	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+H"	1.007276
"675849"	2726.170676	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+H"	1.007276
"1352286"	909.395076	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H"	1.007276
"126637"	909.395076	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+2H"	2.014552
"565948"	1363.588976	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+2H"	2.014552
"1037423"	455.201176	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2H"	2.014552
"204669"	606.599142666667	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+3H"	3.021828
"647934"	909.395076	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+3H"	3.021828
"1171526"	303.803209333333	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+3H"	3.021828
"431517"	1834.809423	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+NH4"	18.033823
"795794"	2743.197223	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+NH4"	18.033823
"1691031"	926.421623	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+NH4"	18.033823
"334936"	917.9083495	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+H+NH4"	19.041099
"727359"	1372.1022495	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+H+NH4"	19.041099
"1483369"	463.7144495	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H+NH4"	19.041099
"397676"	1839.764818	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+Na"	22.989218
"761953"	2748.152618	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+Na"	22.989218
"1616614"	931.377018	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Na"	22.989218
"324463"	920.386047	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+H+Na"	23.996494
"720169"	1374.579947	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+H+Na"	23.996494
"1467426"	466.192147	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H+Na"	23.996494
"1059577"	311.130523333333	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2H+Na"	25.00377
"1260530"	941.421286	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+CH3OH+H"	33.033486
"385298"	1855.738758	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+K"	38.963158
"748113"	2764.126558	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+K"	38.963158
"1549438"	947.350958	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+K"	38.963158
"305522"	928.373017	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+H+K"	39.970434
"694667"	1382.566917	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+H+K"	39.970434
"1460157"	474.179117	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H+K"	39.970434
"249122"	1858.809426	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+ACN+H"	42.033826
"1222562"	950.421626	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+ACN+H"	42.033826
"1206804"	475.714451	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+ACN+2H"	43.041102
"196394"	1861.74676	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+2Na-H"	44.97116
"638873"	2770.13456	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+2Na-H"	44.97116
"1144209"	953.35896	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2Na-H"	44.97116
"180934"	931.377018	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+2Na"	45.978436
"625234"	1385.570918	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+2Na"	45.978436
"1126188"	477.183118	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2Na"	45.978436
"1400962"	318.457837333333	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H+2Na"	46.985712
"1433442"	955.400546	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H+HCOOH"	47.012746
"228971"	936.41004	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+3H2O+2H"	56.04448
"1514846"	969.45259	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+IsoProp+H"	61.06479
"417814"	939.363988	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+Na+K"	61.952376
"771152"	1393.557888	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+Na+K"	61.952376
"1669672"	485.170088	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Na+K"	61.952376
"254373"	1880.791368	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+ACN+Na"	64.015768
"1227811"	972.403568	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+ACN+Na"	64.015768
"1715603"	972.427093	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+NH4+HCOOH"	64.039293
"1179863"	325.785151333333	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+3Na"	68.967654
"1650115"	977.382488	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Na+HCOOH"	68.994688
"167559"	1893.69464	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+2K-H"	76.91904
"608213"	2802.08244	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+2K-H"	76.91904
"1093818"	985.30684	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2K-H"	76.91904
"151728"	947.350958	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"2M+2K"	77.926316
"595422"	1401.544858	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"3M+2K"	77.926316
"1081271"	493.157058	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2K"	77.926316
"1113632"	987.321392	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2K+H"	78.933592
"1349047"	987.409007	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+DMSO+H"	79.021207
"1017942"	991.448176	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2ACN+H"	83.060376
"1533146"	992.441808	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+IsoProp+Na+H"	84.054008
"1000689"	496.227726	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+2ACN+2H"	84.067652
"1599565"	993.356428	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+K+HCOOH"	84.968628
"1424132"	1023.387938	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+H+CF3COOH"	115.000138
"1154419"	516.741001	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+3ACN+2H"	125.094202
"1701783"	1040.414485	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+NH4+CF3COOH"	132.026685
"1637434"	1045.36988	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+Na+CF3COOH"	136.98208
"1577461"	1061.34382	"C11626"	"Vinblastine sulfate"	"C46H58N4O9H2SO4"	"908.3878"	"M+K+CF3COOH"	152.95602
"804545"	114.9236	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M"	0
"981358"	95.90521	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-H2O-H"	-19.01839
"70694"	75.6084573333333	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M-3H"	-3.021828
"511346"	113.916324	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M-3H"	-3.021828
"885866"	37.3005906666667	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-3H"	-3.021828
"4441"	113.916324	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M-2H"	-2.014552
"446187"	171.378124	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M-2H"	-2.014552
"826175"	56.454524	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-2H"	-2.014552
"89456"	228.839924	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M-H"	-1.007276
"531204"	343.763524	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M-H"	-1.007276
"906462"	113.916324	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-H"	-1.007276
"54635"	245.866471	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M-2H+NH4"	16.019271
"495290"	360.790071	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M-2H+NH4"	16.019271
"873092"	130.942871	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-2H+NH4"	16.019271
"34430"	250.821866	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M-2H+Na"	20.974666
"473260"	365.745466	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M-2H+Na"	20.974666
"848875"	135.898266	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-2H+Na"	20.974666
"1623513"	135.898266	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Na-2H"	20.974666
"106611"	131.904663	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M-H+Cl"	33.962126
"543980"	189.366463	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M-H+Cl"	33.962126
"934214"	74.442863	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-H+Cl"	33.962126
"274957"	264.816602	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+Cl"	34.969402
"667376"	379.740202	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+Cl"	34.969402
"1279779"	149.893002	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Cl"	34.969402
"23431"	266.795806	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M-2H+K"	36.948606
"466269"	381.719406	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M-2H+K"	36.948606
"840791"	151.872206	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-2H+K"	36.948606
"1563189"	151.872206	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+K-2H"	36.948606
"952169"	159.921794	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-H+HCOOH"	44.998194
"368197"	274.845401	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+HCOOH-H"	44.998201
"356456"	288.861051	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+Hac-H"	59.013851
"1500916"	173.937451	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Hac-H"	59.013851
"964082"	181.903751	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-H+NaCOOH"	66.980151
"118457"	149.893002	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+2Cl"	69.938804
"559115"	207.354802	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+2Cl"	69.938804
"1022203"	92.431202	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2Cl"	69.938804
"1241620"	193.842485	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Br"	78.918885
"1312130"	195.898472	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Cl+HCOOH"	80.974872
"1326345"	217.880429	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Cl+NaCOOH"	102.956829
"922871"	227.909186	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M-H+CF3COOH"	112.985586
"1291925"	263.885864	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Cl+CF3COOH"	148.962264
"1376647"	79.910924	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H-2H2O"	-35.012676
"1387581"	97.9209	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H-H2O"	-17.0027
"283988"	230.854476	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+H"	1.007276
"677505"	345.778076	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+H"	1.007276
"1353493"	115.930876	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H"	1.007276
"128210"	115.930876	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+2H"	2.014552
"566428"	173.392676	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+2H"	2.014552
"1037897"	58.469076	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2H"	2.014552
"204825"	77.6230093333333	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+3H"	3.021828
"654605"	115.930876	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+3H"	3.021828
"1169450"	39.3151426666667	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+3H"	3.021828
"428347"	247.881023	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+NH4"	18.033823
"793719"	362.804623	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+NH4"	18.033823
"1687861"	132.957423	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+NH4"	18.033823
"331766"	124.4441495	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+H+NH4"	19.041099
"727468"	181.9059495	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+H+NH4"	19.041099
"1483480"	66.9823495	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H+NH4"	19.041099
"399973"	252.836418	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+Na"	22.989218
"766073"	367.760018	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+Na"	22.989218
"1614538"	137.912818	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Na"	22.989218
"326396"	126.921847	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+H+Na"	23.996494
"719186"	184.383647	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+H+Na"	23.996494
"1469723"	69.460047	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H+Na"	23.996494
"1058594"	46.6424566666667	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2H+Na"	25.00377
"1261369"	147.957086	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+CH3OH+H"	33.033486
"384315"	268.810358	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+K"	38.963158
"750409"	383.733958	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+K"	38.963158
"1548454"	153.886758	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+K"	38.963158
"303445"	134.908817	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+H+K"	39.970434
"694777"	192.370617	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+H+K"	39.970434
"1458444"	77.447017	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H+K"	39.970434
"247044"	271.881026	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+ACN+H"	42.033826
"1220848"	156.957426	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+ACN+H"	42.033826
"1202540"	78.982351	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+ACN+2H"	43.041102
"194317"	274.81836	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+2Na-H"	44.97116
"636067"	389.74196	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+2Na-H"	44.97116
"1143588"	159.89476	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2Na-H"	44.97116
"181408"	137.912818	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+2Na"	45.978436
"624614"	195.374618	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+2Na"	45.978436
"1127027"	80.451018	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2Na"	45.978436
"1402165"	53.9697706666667	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H+2Na"	46.985712
"1431486"	161.936346	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H+HCOOH"	47.012746
"226894"	142.94584	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+3H2O+2H"	56.04448
"1514956"	175.98839	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+IsoProp+H"	61.06479
"413550"	145.899788	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+Na+K"	61.952376
"770574"	203.361588	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+Na+K"	61.952376
"1668323"	88.437988	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Na+K"	61.952376
"255213"	293.862968	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+ACN+Na"	64.015768
"1230109"	178.939368	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+ACN+Na"	64.015768
"1717901"	178.962893	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+NH4+HCOOH"	64.039293
"1181067"	61.2970846666667	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+3Na"	68.967654
"1650594"	183.918288	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Na+HCOOH"	68.994688
"168762"	306.76624	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+2K-H"	76.91904
"610510"	421.68984	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+2K-H"	76.91904
"1093928"	191.84264	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2K-H"	76.91904
"151838"	153.886758	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"2M+2K"	77.926316
"595653"	211.348558	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"3M+2K"	77.926316
"1081383"	96.424958	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2K"	77.926316
"1113137"	193.857192	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2K+H"	78.933592
"1349519"	193.944807	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+DMSO+H"	79.021207
"1017323"	197.983976	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2ACN+H"	83.060376
"1533256"	198.977608	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+IsoProp+Na+H"	84.054008
"1001893"	99.495626	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+2ACN+2H"	84.067652
"1598218"	199.892228	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+K+HCOOH"	84.968628
"1424242"	229.923738	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+H+CF3COOH"	115.000138
"1151249"	120.008901	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+3ACN+2H"	125.094202
"1701893"	246.950285	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+NH4+CF3COOH"	132.026685
"1639731"	251.90568	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+Na+CF3COOH"	136.98208
"1577571"	267.87962	"C11627"	"ortho-Vanadate;Vanadate"	"VO4"	"114.9236"	"M+K+CF3COOH"	152.95602
"811215"	207.033	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M"	0
"981468"	188.01461	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-H2O-H"	-19.01839
"74084"	137.014724	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M-3H"	-3.021828
"511456"	206.025724	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M-3H"	-3.021828
"884882"	68.003724	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-3H"	-3.021828
"6740"	206.025724	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M-2H"	-2.014552
"444112"	309.542224	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M-2H"	-2.014552
"823007"	102.509224	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-2H"	-2.014552
"89566"	413.058724	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M-H"	-1.007276
"532407"	620.091724	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M-H"	-1.007276
"908274"	206.025724	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-H"	-1.007276
"60213"	430.085271	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M-2H+NH4"	16.019271
"499046"	637.118271	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M-2H+NH4"	16.019271
"873202"	223.052271	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-2H+NH4"	16.019271
"42194"	435.040666	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M-2H+Na"	20.974666
"478473"	642.073666	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M-2H+Na"	20.974666
"856275"	228.007666	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-2H+Na"	20.974666
"1624717"	228.007666	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Na-2H"	20.974666
"103435"	224.014063	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M-H+Cl"	33.962126
"547370"	327.530563	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M-H+Cl"	33.962126
"937604"	120.497563	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-H+Cl"	33.962126
"270692"	449.035402	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+Cl"	34.969402
"665300"	656.068402	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+Cl"	34.969402
"1279889"	242.002402	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Cl"	34.969402
"26821"	451.014606	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M-2H+K"	36.948606
"465286"	658.047606	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M-2H+K"	36.948606
"843088"	243.981606	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-2H+K"	36.948606
"1565485"	243.981606	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+K-2H"	36.948606
"951186"	252.031194	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-H+HCOOH"	44.998194
"365755"	459.064201	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+HCOOH-H"	44.998201
"361063"	473.079851	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+Hac-H"	59.013851
"1501023"	266.046851	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Hac-H"	59.013851
"966377"	274.013151	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-H+NaCOOH"	66.980151
"121846"	242.002402	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+2Cl"	69.938804
"555941"	345.518902	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+2Cl"	69.938804
"1022922"	138.485902	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2Cl"	69.938804
"1249794"	285.951885	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Br"	78.918885
"1312240"	288.007872	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Cl+HCOOH"	80.974872
"1326455"	309.989829	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Cl+NaCOOH"	102.956829
"918606"	320.018586	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M-H+CF3COOH"	112.985586
"1294222"	355.995264	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Cl+CF3COOH"	148.962264
"1376757"	172.020324	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H-2H2O"	-35.012676
"1386231"	190.0303	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H-H2O"	-17.0027
"285556"	415.073276	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+H"	1.007276
"683082"	622.106276	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+H"	1.007276
"1359437"	208.040276	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H"	1.007276
"134518"	208.040276	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+2H"	2.014552
"571890"	311.556776	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+2H"	2.014552
"1041783"	104.523776	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2H"	2.014552
"207495"	139.029276	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+3H"	3.021828
"651434"	208.040276	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+3H"	3.021828
"1170658"	70.018276	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+3H"	3.021828
"435019"	432.099823	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+NH4"	18.033823
"792735"	639.132823	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+NH4"	18.033823
"1690158"	225.066823	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+NH4"	18.033823
"335157"	216.5535495	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+H+NH4"	19.041099
"728672"	320.0700495	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+H+NH4"	19.041099
"1482497"	113.0370495	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H+NH4"	19.041099
"401176"	437.055218	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+Na"	22.989218
"766547"	644.088218	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+Na"	22.989218
"1611361"	230.022218	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Na"	22.989218
"324683"	219.031247	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+H+Na"	23.996494
"718202"	322.547747	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+H+Na"	23.996494
"1470925"	115.514747	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H+Na"	23.996494
"1059795"	77.34559	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2H+Na"	25.00377
"1263665"	240.066486	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+CH3OH+H"	33.033486
"385516"	453.029158	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+K"	38.963158
"748696"	660.062158	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+K"	38.963158
"1548563"	245.996158	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+K"	38.963158
"306834"	227.018217	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+H+K"	39.970434
"695979"	330.534717	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+H+K"	39.970434
"1457457"	123.501717	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H+K"	39.970434
"247151"	456.099826	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+ACN+H"	42.033826
"1215485"	249.066826	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+ACN+H"	42.033826
"1206658"	125.037051	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+ACN+2H"	43.041102
"201720"	459.03716	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+2Na-H"	44.97116
"640184"	666.07016	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+2Na-H"	44.97116
"1143698"	252.00416	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2Na-H"	44.97116
"181518"	230.022218	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+2Na"	45.978436
"622537"	333.538718	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+2Na"	45.978436
"1127866"	126.505718	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2Na"	45.978436
"1406285"	84.672904	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H+2Na"	46.985712
"1432204"	254.045746	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H+HCOOH"	47.012746
"227004"	235.05524	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+3H2O+2H"	56.04448
"1517253"	268.09779	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+IsoProp+H"	61.06479
"415846"	238.009188	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+Na+K"	61.952376
"776841"	341.525688	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+Na+K"	61.952376
"1672079"	134.492688	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Na+K"	61.952376
"255323"	478.081768	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+ACN+Na"	64.015768
"1227302"	271.048768	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+ACN+Na"	64.015768
"1718011"	271.072293	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+NH4+HCOOH"	64.039293
"1182271"	92.000218	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+3Na"	68.967654
"1650704"	276.027688	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Na+HCOOH"	68.994688
"165592"	490.98504	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+2K-H"	76.91904
"608069"	698.01804	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+2K-H"	76.91904
"1094038"	283.95204	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2K-H"	76.91904
"151948"	245.996158	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"2M+2K"	77.926316
"594428"	349.512658	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"3M+2K"	77.926316
"1079306"	142.479658	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2K"	77.926316
"1110327"	285.966592	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2K+H"	78.933592
"1346351"	286.054207	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+DMSO+H"	79.021207
"1013060"	290.093376	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2ACN+H"	83.060376
"1533369"	291.087008	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+IsoProp+Na+H"	84.054008
"999821"	145.550326	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+2ACN+2H"	84.067652
"1599788"	292.001628	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+K+HCOOH"	84.968628
"1422165"	322.033138	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+H+CF3COOH"	115.000138
"1151360"	166.063601	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+3ACN+2H"	125.094202
"1699817"	339.059685	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+NH4+CF3COOH"	132.026685
"1639841"	344.01508	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+Na+CF3COOH"	136.98208
"1577681"	359.98902	"C11628"	"p-Aminobenzamidine dihydrochloride"	"C7H9N32HCl"	"207.033"	"M+K+CF3COOH"	152.95602
"811326"	511.224	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M"	0
"984859"	492.20561	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-H2O-H"	-19.01839
"70914"	339.808724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M-3H"	-3.021828
"504276"	510.216724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M-3H"	-3.021828
"882806"	169.400724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-3H"	-3.021828
"3568"	510.216724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M-2H"	-2.014552
"441306"	765.828724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M-2H"	-2.014552
"820200"	254.604724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-2H"	-2.014552
"92837"	1021.440724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M-H"	-1.007276
"531424"	1532.664724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M-H"	-1.007276
"907777"	510.216724	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-H"	-1.007276
"58139"	1038.467271	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M-2H+NH4"	16.019271
"499521"	1549.691271	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M-2H+NH4"	16.019271
"873312"	527.243271	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-2H+NH4"	16.019271
"42305"	1043.422666	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M-2H+Na"	20.974666
"481866"	1554.646666	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M-2H+Na"	20.974666
"856387"	532.198666	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-2H+Na"	20.974666
"1624827"	532.198666	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Na-2H"	20.974666
"107920"	528.205063	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M-H+Cl"	33.962126
"547730"	783.817063	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M-H+Cl"	33.962126
"939908"	272.593063	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-H+Cl"	33.962126
"279552"	1057.417402	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+Cl"	34.969402
"673066"	1568.641402	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+Cl"	34.969402
"1286197"	546.193402	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Cl"	34.969402
"29118"	1059.396606	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M-2H+K"	36.948606
"471150"	1570.620606	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M-2H+K"	36.948606
"847210"	548.172606	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-2H+K"	36.948606
"1563410"	548.172606	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+K-2H"	36.948606
"950202"	556.222194	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-H+HCOOH"	44.998194
"367323"	1067.446201	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+HCOOH-H"	44.998201
"360201"	1081.461851	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+Hac-H"	59.013851
"1502226"	570.237851	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Hac-H"	59.013851
"968673"	578.204151	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-H+NaCOOH"	66.980151
"120861"	546.193402	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+2Cl"	69.938804
"554959"	801.805402	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+2Cl"	69.938804
"1025948"	290.581402	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2Cl"	69.938804
"1250998"	590.142885	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Br"	78.918885
"1310163"	592.198872	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Cl+HCOOH"	80.974872
"1328752"	614.180829	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Cl+NaCOOH"	102.956829
"923090"	624.209586	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M-H+CF3COOH"	112.985586
"1296520"	660.186264	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Cl+CF3COOH"	148.962264
"1377960"	476.211324	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H-2H2O"	-35.012676
"1385613"	494.2213	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H-H2O"	-17.0027
"286399"	1023.455276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+H"	1.007276
"678090"	1534.679276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+H"	1.007276
"1359546"	512.231276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H"	1.007276
"135721"	512.231276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+2H"	2.014552
"572002"	767.843276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+2H"	2.014552
"1039706"	256.619276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2H"	2.014552
"206146"	341.823276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+3H"	3.021828
"651545"	512.231276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+3H"	3.021828
"1170768"	171.415276	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+3H"	3.021828
"434036"	1040.481823	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+NH4"	18.033823
"792847"	1551.705823	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+NH4"	18.033823
"1690270"	529.257823	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+NH4"	18.033823
"337454"	520.7445495	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+H+NH4"	19.041099
"732063"	776.3565495	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+H+NH4"	19.041099
"1481514"	265.1325495	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H+NH4"	19.041099
"399100"	1045.437218	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+Na"	22.989218
"766657"	1556.661218	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+Na"	22.989218
"1610377"	534.213218	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Na"	22.989218
"323699"	523.222247	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+H+Na"	23.996494
"715030"	778.834247	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+H+Na"	23.996494
"1468120"	267.610247	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H+Na"	23.996494
"1057719"	178.74259	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2H+Na"	25.00377
"1259766"	544.257486	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+CH3OH+H"	33.033486
"384533"	1061.411158	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+K"	38.963158
"743339"	1572.635158	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+K"	38.963158
"1549767"	550.187158	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+K"	38.963158
"304759"	531.209217	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+H+K"	39.970434
"698275"	786.821217	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+H+K"	39.970434
"1456109"	275.597217	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H+K"	39.970434
"243981"	1064.481826	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+ACN+H"	42.033826
"1215596"	553.257826	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+ACN+H"	42.033826
"1203852"	277.132551	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+ACN+2H"	43.041102
"198913"	1067.41916	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+2Na-H"	44.97116
"638471"	1578.64316	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+2Na-H"	44.97116
"1143808"	556.19516	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2Na-H"	44.97116
"178348"	534.213218	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+2Na"	45.978436
"621554"	789.825218	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+2Na"	45.978436
"1120320"	278.601218	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2Na"	45.978436
"1405301"	186.069904	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H+2Na"	46.985712
"1431585"	558.236746	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H+HCOOH"	47.012746
"223833"	539.24624	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+3H2O+2H"	56.04448
"1514083"	572.28879	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+IsoProp+H"	61.06479
"409760"	542.200188	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+Na+K"	61.952376
"772577"	797.812188	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+Na+K"	61.952376
"1673282"	286.588188	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Na+K"	61.952376
"252514"	1086.463768	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+ACN+Na"	64.015768
"1225824"	575.239768	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+ACN+Na"	64.015768
"1712892"	575.263293	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+NH4+HCOOH"	64.039293
"1178815"	193.397218	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+3Na"	68.967654
"1650201"	580.218688	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Na+HCOOH"	68.994688
"162422"	1099.36704	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+2K-H"	76.91904
"606356"	1610.59104	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+2K-H"	76.91904
"1094148"	588.14304	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2K-H"	76.91904
"152058"	550.187158	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"2M+2K"	77.926316
"593808"	805.799158	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"3M+2K"	77.926316
"1080509"	294.575158	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2K"	77.926316
"1110437"	590.157592	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2K+H"	78.933592
"1347918"	590.245207	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+DMSO+H"	79.021207
"1013171"	594.284376	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2ACN+H"	83.060376
"1532386"	595.278008	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+IsoProp+Na+H"	84.054008
"999932"	297.645826	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+2ACN+2H"	84.067652
"1600629"	596.192628	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+K+HCOOH"	84.968628
"1424462"	626.224138	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+H+CF3COOH"	115.000138
"1152562"	318.159101	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+3ACN+2H"	125.094202
"1702115"	643.250685	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+NH4+CF3COOH"	132.026685
"1639951"	648.20608	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+Na+CF3COOH"	136.98208
"1577791"	664.18002	"C11629"	"omega-Carboxy-N-acetyl-LTE4;(7E9E11Z14Z)-(5S6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-791114-tetraen-120-dioate;omega-COOH-LTE4NAc"	"C25H37NO8S"	"511.224"	"M+K+CF3COOH"	152.95602
"804875"	584.2635	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M"	0
"984969"	565.24511	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-H2O-H"	-19.01839
"69930"	388.501724	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M-3H"	-3.021828
"505479"	583.256224	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M-3H"	-3.021828
"884009"	193.747224	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-3H"	-3.021828
"3679"	583.256224	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M-2H"	-2.014552
"442144"	875.387974	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M-2H"	-2.014552
"822133"	291.124474	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-2H"	-2.014552
"91975"	1167.519724	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M-H"	-1.007276
"523879"	1751.783224	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M-H"	-1.007276
"910068"	583.256224	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-H"	-1.007276
"56062"	1184.546271	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M-2H+NH4"	16.019271
"495622"	1768.809771	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M-2H+NH4"	16.019271
"872328"	600.282771	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-2H+NH4"	16.019271
"40228"	1189.501666	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M-2H+Na"	20.974666
"479789"	1773.765166	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M-2H+Na"	20.974666
"857590"	605.238166	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-2H+Na"	20.974666
"1622750"	605.238166	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Na-2H"	20.974666
"102562"	601.244563	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M-H+Cl"	33.962126
"545407"	893.376313	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M-H+Cl"	33.962126
"936737"	309.112813	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-H+Cl"	33.962126
"279662"	1203.496402	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+Cl"	34.969402
"669897"	1787.759902	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+Cl"	34.969402
"1283392"	619.232902	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Cl"	34.969402
"23761"	1205.475606	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M-2H+K"	36.948606
"466603"	1789.739106	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M-2H+K"	36.948606
"842219"	621.212106	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-2H+K"	36.948606
"1561334"	621.212106	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+K-2H"	36.948606
"950313"	629.261694	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-H+HCOOH"	44.998194
"368527"	1213.525201	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+HCOOH-H"	44.998201
"360069"	1227.540851	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+Hac-H"	59.013851
"1502336"	643.277351	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Hac-H"	59.013851
"968784"	651.243651	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-H+NaCOOH"	66.980151
"117691"	619.232902	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+2Cl"	69.938804
"555797"	911.364652	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+2Cl"	69.938804
"1027516"	327.101152	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2Cl"	69.938804
"1247821"	663.182385	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Br"	78.918885
"1310273"	665.238372	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Cl+HCOOH"	80.974872
"1328862"	687.220329	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Cl+NaCOOH"	102.956829
"923200"	697.249086	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M-H+CF3COOH"	112.985586
"1295536"	733.225764	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Cl+CF3COOH"	148.962264
"1376976"	549.250824	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H-2H2O"	-35.012676
"1392283"	567.2608	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H-H2O"	-17.0027
"288689"	1169.534276	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+H"	1.007276
"681108"	1753.797776	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+H"	1.007276
"1357470"	585.270776	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H"	1.007276
"127438"	585.270776	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+2H"	2.014552
"571015"	877.402526	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+2H"	2.014552
"1040909"	293.139026	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2H"	2.014552
"208808"	390.516276	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+3H"	3.021828
"652751"	585.270776	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+3H"	3.021828
"1173065"	195.761776	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+3H"	3.021828
"433053"	1186.560823	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+NH4"	18.033823
"795145"	1770.824323	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+NH4"	18.033823
"1691474"	602.297323	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+NH4"	18.033823
"339753"	593.7840495	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+H+NH4"	19.041099
"727801"	885.9157995	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+H+NH4"	19.041099
"1480531"	301.6522995	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H+NH4"	19.041099
"400304"	1191.516218	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+Na"	22.989218
"764580"	1775.779718	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+Na"	22.989218
"1608304"	607.252718	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Na"	22.989218
"318342"	596.261747	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+H+Na"	23.996494
"712956"	888.393497	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+H+Na"	23.996494
"1466776"	304.129997	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H+Na"	23.996494
"1058923"	203.08909	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2H+Na"	25.00377
"1260969"	617.296986	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+CH3OH+H"	33.033486
"382461"	1207.490158	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+K"	38.963158
"743454"	1791.753658	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+K"	38.963158
"1545505"	623.226658	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+K"	38.963158
"303776"	604.248717	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+H+K"	39.970434
"697292"	896.380467	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+H+K"	39.970434
"1456583"	312.116967	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H+K"	39.970434
"244091"	1210.560826	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+ACN+H"	42.033826
"1215706"	626.297326	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+ACN+H"	42.033826
"1200682"	313.652301	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+ACN+2H"	43.041102
"199023"	1213.49816	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+2Na-H"	44.97116
"639675"	1797.76166	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+2Na-H"	44.97116
"1142094"	629.23466	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2Na-H"	44.97116
"184292"	607.252718	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+2Na"	45.978436
"623851"	899.384468	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+2Na"	45.978436
"1120430"	315.120968	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2Na"	45.978436
"1405411"	210.416404	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H+2Na"	46.985712
"1435342"	631.276246	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H+HCOOH"	47.012746
"229411"	612.28574	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+3H2O+2H"	56.04448
"1517473"	645.32829	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+IsoProp+H"	61.06479
"416067"	615.239688	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+Na+K"	61.952376
"772688"	907.371438	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+Na+K"	61.952376
"1673392"	323.107938	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Na+K"	61.952376
"253356"	1232.542768	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+ACN+Na"	64.015768
"1226258"	648.279268	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+ACN+Na"	64.015768
"1714950"	648.302793	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+NH4+HCOOH"	64.039293
"1179211"	217.743718	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+3Na"	68.967654
"1650680"	653.258188	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Na+HCOOH"	68.994688
"168000"	1245.44604	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+2K-H"	76.91904
"608656"	1829.70954	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+2K-H"	76.91904
"1094258"	661.18254	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2K-H"	76.91904
"152168"	623.226658	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"2M+2K"	77.926316
"591371"	915.358408	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"3M+2K"	77.926316
"1077342"	331.094908	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2K"	77.926316
"1110547"	663.197092	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2K+H"	78.933592
"1343657"	663.284707	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+DMSO+H"	79.021207
"1015468"	667.323876	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2ACN+H"	83.060376
"1533591"	668.317508	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+IsoProp+Na+H"	84.054008
"1000042"	334.165576	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+2ACN+2H"	84.067652
"1598917"	669.232128	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+K+HCOOH"	84.968628
"1426761"	699.263638	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+H+CF3COOH"	115.000138
"1157048"	354.678851	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+3ACN+2H"	125.094202
"1705505"	716.290185	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+NH4+CF3COOH"	132.026685
"1640061"	721.24558	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+Na+CF3COOH"	136.98208
"1577901"	737.21952	"C11630"	"1516-Dihydrobiliverdin;1516-Dihydrobiliverdin IXalpha;1516-Dihydrobiliverdin ixa"	"C33H36N4O6"	"584.2635"	"M+K+CF3COOH"	152.95602
"804985"	282.06	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M"	0
"983986"	263.04161	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-H2O-H"	-19.01839
"70041"	187.032724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M-3H"	-3.021828
"505226"	281.052724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M-3H"	-3.021828
"883027"	93.012724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-3H"	-3.021828
"7069"	281.052724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M-2H"	-2.014552
"444442"	422.082724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M-2H"	-2.014552
"824430"	140.022724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-2H"	-2.014552
"88804"	563.112724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M-H"	-1.007276
"524353"	845.172724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M-H"	-1.007276
"902886"	281.052724	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-H"	-1.007276
"57265"	580.139271	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M-2H+NH4"	16.019271
"494635"	862.199271	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M-2H+NH4"	16.019271
"869156"	298.079271	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-2H+NH4"	16.019271
"40338"	585.094666	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M-2H+Na"	20.974666
"479899"	867.154666	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M-2H+Na"	20.974666
"854419"	303.034666	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-2H+Na"	20.974666
"1625047"	303.034666	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Na-2H"	20.974666
"105952"	299.041063	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M-H+Cl"	33.962126
"541138"	440.071063	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M-H+Cl"	33.962126
"936847"	158.011063	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-H+Cl"	33.962126
"279772"	599.089402	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+Cl"	34.969402
"672191"	881.149402	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+Cl"	34.969402
"1285687"	317.029402	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Cl"	34.969402
"28245"	601.068606	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M-2H+K"	36.948606
"467806"	883.128606	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M-2H+K"	36.948606
"842330"	319.008606	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-2H+K"	36.948606
"1563630"	319.008606	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+K-2H"	36.948606
"950423"	327.058194	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-H+HCOOH"	44.998194
"367543"	609.118201	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+HCOOH-H"	44.998201
"357990"	623.133851	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+Hac-H"	59.013851
"1502446"	341.073851	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Hac-H"	59.013851
"965613"	349.040151	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-H+NaCOOH"	66.980151
"117801"	317.029402	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+2Cl"	69.938804
"555907"	458.059402	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+2Cl"	69.938804
"1026897"	175.999402	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2Cl"	69.938804
"1245015"	360.978885	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Br"	78.918885
"1315849"	363.034872	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Cl+HCOOH"	80.974872
"1326053"	385.016829	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Cl+NaCOOH"	102.956829
"915652"	395.045586	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M-H+CF3COOH"	112.985586
"1297830"	431.022264	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Cl+CF3COOH"	148.962264
"1372710"	247.047324	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H-2H2O"	-35.012676
"1389113"	265.0573	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H-H2O"	-17.0027
"286612"	565.127276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+H"	1.007276
"680125"	847.187276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+H"	1.007276
"1354287"	283.067276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H"	1.007276
"126324"	283.067276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+2H"	2.014552
"567469"	424.097276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+2H"	2.014552
"1041017"	142.037276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2H"	2.014552
"208917"	189.047276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+3H"	3.021828
"655047"	283.067276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+3H"	3.021828
"1174268"	95.027276	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+3H"	3.021828
"433163"	582.153823	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+NH4"	18.033823
"797441"	864.213823	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+NH4"	18.033823
"1692677"	300.093823	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+NH4"	18.033823
"339863"	291.5805495	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+H+NH4"	19.041099
"731190"	432.6105495	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+H+NH4"	19.041099
"1485012"	150.5505495	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H+NH4"	19.041099
"400413"	587.109218	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+Na"	22.989218
"763597"	869.169218	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+Na"	22.989218
"1608414"	305.049218	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Na"	22.989218
"318451"	294.058247	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+H+Na"	23.996494
"711972"	435.088247	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+H+Na"	23.996494
"1469071"	153.028247	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H+Na"	23.996494
"1056846"	102.35459	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2H+Na"	25.00377
"1261808"	315.093486	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+CH3OH+H"	33.033486
"382568"	603.083158	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+K"	38.963158
"745750"	885.143158	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+K"	38.963158
"1547799"	321.023158	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+K"	38.963158
"303884"	302.045217	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+H+K"	39.970434
"697402"	443.075217	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+H+K"	39.970434
"1457422"	161.015217	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H+K"	39.970434
"245294"	606.153826	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+ACN+H"	42.033826
"1216909"	324.093826	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+ACN+H"	42.033826
"1199697"	162.550551	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+ACN+2H"	43.041102
"199132"	609.09116	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+2Na-H"	44.97116
"638327"	891.15116	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+2Na-H"	44.97116
"1144393"	327.03116	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2Na-H"	44.97116
"182948"	305.049218	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+2Na"	45.978436
"621774"	446.079218	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+2Na"	45.978436
"1121999"	164.019218	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2Na"	45.978436
"1405521"	109.681904	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H+2Na"	46.985712
"1437639"	329.072746	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H+HCOOH"	47.012746
"229521"	310.08224	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+3H2O+2H"	56.04448
"1517583"	343.12479	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+IsoProp+H"	61.06479
"417269"	313.036188	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+Na+K"	61.952376
"772798"	454.066188	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+Na+K"	61.952376
"1675689"	172.006188	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Na+K"	61.952376
"252737"	628.135768	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+ACN+Na"	64.015768
"1226006"	346.075768	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+ACN+Na"	64.015768
"1714332"	346.099293	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+NH4+HCOOH"	64.039293
"1181508"	117.009218	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+3Na"	68.967654
"1650790"	351.054688	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Na+HCOOH"	68.994688
"164830"	641.03904	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+2K-H"	76.91904
"609130"	923.09904	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+2K-H"	76.91904
"1094368"	358.97904	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2K-H"	76.91904
"152278"	321.023158	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"2M+2K"	77.926316
"590752"	462.053158	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"3M+2K"	77.926316
"1079273"	179.993158	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2K"	77.926316
"1110657"	360.993592	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2K+H"	78.933592
"1343766"	361.081207	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+DMSO+H"	79.021207
"1011203"	365.120376	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2ACN+H"	83.060376
"1534796"	366.114008	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+IsoProp+Na+H"	84.054008
"1000152"	183.063826	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+2ACN+2H"	84.067652
"1599027"	367.028628	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+K+HCOOH"	84.968628
"1423591"	397.060138	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+H+CF3COOH"	115.000138
"1160439"	203.577101	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+3ACN+2H"	125.094202
"1705615"	414.086685	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+NH4+CF3COOH"	132.026685
"1643451"	419.04208	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+Na+CF3COOH"	136.98208
"1578011"	435.01602	"C11631"	"9-Riburonosylhypoxanthine"	"C10H10N4O6"	"282.06"	"M+K+CF3COOH"	152.95602
"801815"	350.163	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M"	0
"984096"	331.14461	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-H2O-H"	-19.01839
"70151"	232.434724	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M-3H"	-3.021828
"507522"	349.155724	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M-3H"	-3.021828
"884231"	115.713724	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-3H"	-3.021828
"3900"	349.155724	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M-2H"	-2.014552
"446739"	524.237224	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M-2H"	-2.014552
"823447"	174.074224	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-2H"	-2.014552
"87821"	699.318724	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M-H"	-1.007276
"528474"	1049.481724	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M-H"	-1.007276
"902996"	349.155724	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-H"	-1.007276
"56281"	716.345271	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M-2H+NH4"	16.019271
"493652"	1066.508271	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M-2H+NH4"	16.019271
"869266"	366.182271	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-2H+NH4"	16.019271
"40448"	721.300666	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M-2H+Na"	20.974666
"478916"	1071.463666	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M-2H+Na"	20.974666
"854529"	371.137666	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-2H+Na"	20.974666
"1621875"	371.137666	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Na-2H"	20.974666
"102783"	367.144063	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M-H+Cl"	33.962126
"542341"	542.225563	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M-H+Cl"	33.962126
"938043"	192.062563	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-H+Cl"	33.962126
"275506"	735.295402	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+Cl"	34.969402
"670115"	1085.458402	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+Cl"	34.969402
"1285797"	385.132402	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Cl"	34.969402
"27990"	737.274606	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M-2H+K"	36.948606
"465729"	1087.437606	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M-2H+K"	36.948606
"840253"	387.111606	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-2H+K"	36.948606
"1563012"	387.111606	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+K-2H"	36.948606
"949803"	395.161194	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-H+HCOOH"	44.998194
"367653"	745.324201	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+HCOOH-H"	44.998201
"358100"	759.339851	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+Hac-H"	59.013851
"1500369"	409.176851	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Hac-H"	59.013851
"965723"	417.143151	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-H+NaCOOH"	66.980151
"117911"	385.132402	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+2Cl"	69.938804
"556017"	560.213902	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+2Cl"	69.938804
"1024453"	210.050902	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2Cl"	69.938804
"1249136"	429.081885	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Br"	78.918885
"1310490"	431.137872	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Cl+HCOOH"	80.974872
"1323975"	453.119829	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Cl+NaCOOH"	102.956829
"917950"	463.148586	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M-H+CF3COOH"	112.985586
"1299033"	499.125264	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Cl+CF3COOH"	148.962264
"1372820"	315.150324	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H-2H2O"	-35.012676
"1388130"	333.1603	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H-H2O"	-17.0027
"286357"	701.333276	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+H"	1.007276
"678047"	1051.496276	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+H"	1.007276
"1352938"	351.170276	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H"	1.007276
"126926"	351.170276	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+2H"	2.014552
"566850"	526.251776	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+2H"	2.014552
"1043314"	176.088776	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2H"	2.014552
"207934"	234.449276	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+3H"	3.021828
"651874"	351.170276	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+3H"	3.021828
"1175471"	117.728276	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+3H"	3.021828
"434366"	718.359823	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+NH4"	18.033823
"796458"	1068.522823	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+NH4"	18.033823
"1692787"	368.196823	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+NH4"	18.033823
"337788"	359.6835495	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+H+NH4"	19.041099
"732394"	534.7650495	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+H+NH4"	19.041099
"1484028"	184.6020495	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H+NH4"	19.041099
"400520"	723.315218	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+Na"	22.989218
"764800"	1073.478218	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+Na"	22.989218
"1610710"	373.152218	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Na"	22.989218
"319655"	362.161247	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+H+Na"	23.996494
"710617"	537.242747	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+H+Na"	23.996494
"1466994"	187.079747	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H+Na"	23.996494
"1058049"	125.05559	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2H+Na"	25.00377
"1261918"	383.196486	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+CH3OH+H"	33.033486
"383772"	739.289158	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+K"	38.963158
"744766"	1089.452158	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+K"	38.963158
"1543538"	389.126158	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+K"	38.963158
"302901"	370.148217	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+H+K"	39.970434
"695326"	545.229717	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+H+K"	39.970434
"1456803"	195.066717	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H+K"	39.970434
"243217"	742.359826	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+ACN+H"	42.033826
"1213739"	392.196826	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+ACN+H"	42.033826
"1197984"	196.602051	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+ACN+2H"	43.041102
"197055"	745.29716	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+2Na-H"	44.97116
"636614"	1095.46016	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+2Na-H"	44.97116
"1143408"	395.13416	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2Na-H"	44.97116
"184878"	373.152218	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+2Na"	45.978436
"625164"	548.233718	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+2Na"	45.978436
"1123201"	198.070718	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2Na"	45.978436
"1403807"	132.382904	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H+2Na"	46.985712
"1434469"	397.175746	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H+HCOOH"	47.012746
"226351"	378.18524	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+3H2O+2H"	56.04448
"1514413"	411.22779	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+IsoProp+H"	61.06479
"413369"	381.139188	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+Na+K"	61.952376
"772907"	556.220688	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+Na+K"	61.952376
"1673612"	206.057688	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Na+K"	61.952376
"255764"	764.341768	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+ACN+Na"	64.015768
"1225915"	414.178768	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+ACN+Na"	64.015768
"1712873"	414.202293	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+NH4+HCOOH"	64.039293
"1180524"	139.710218	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+3Na"	68.967654
"1650896"	419.157688	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Na+HCOOH"	68.994688
"157878"	777.24504	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+2K-H"	76.91904
"603402"	1127.40804	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+2K-H"	76.91904
"1094478"	427.08204	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2K-H"	76.91904
"149108"	389.126158	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"2M+2K"	77.926316
"592684"	564.207658	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"3M+2K"	77.926316
"1080841"	214.044658	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2K"	77.926316
"1109674"	429.096592	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2K+H"	78.933592
"1344972"	429.184207	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+DMSO+H"	79.021207
"1015689"	433.223376	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2ACN+H"	83.060376
"1534907"	434.217008	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+IsoProp+Na+H"	84.054008
"1002450"	217.115326	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+2ACN+2H"	84.067652
"1600962"	435.131628	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+K+HCOOH"	84.968628
"1429169"	465.163138	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+H+CF3COOH"	115.000138
"1161278"	237.628601	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+3ACN+2H"	125.094202
"1705725"	482.189685	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+NH4+CF3COOH"	132.026685
"1640281"	487.14508	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+Na+CF3COOH"	136.98208
"1578121"	503.11902	"C11632"	"Polyneuridine aldehyde"	"C21H22N2O3"	"350.163"	"M+K+CF3COOH"	152.95602
"805205"	292.1576	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M"	0
"986393"	273.13921	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-H2O-H"	-19.01839
"73541"	193.764457333333	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M-3H"	-3.021828
"508726"	291.150324	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M-3H"	-3.021828
"884341"	96.3785906666667	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-3H"	-3.021828
"9477"	291.150324	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M-2H"	-2.014552
"447942"	437.229124	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M-2H"	-2.014552
"824650"	145.071524	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-2H"	-2.014552
"87931"	583.307924	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M-H"	-1.007276
"525304"	875.465524	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M-H"	-1.007276
"899826"	291.150324	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-H"	-1.007276
"55298"	600.334471	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M-2H+NH4"	16.019271
"492669"	892.492071	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M-2H+NH4"	16.019271
"869376"	308.176871	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-2H+NH4"	16.019271
"36185"	605.289866	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M-2H+Na"	20.974666
"479026"	897.447466	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M-2H+Na"	20.974666
"853546"	313.132266	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-2H+Na"	20.974666
"1618826"	313.132266	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Na-2H"	20.974666
"106173"	309.138663	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M-H+Cl"	33.962126
"542452"	455.217463	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M-H+Cl"	33.962126
"935967"	163.059863	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-H+Cl"	33.962126
"274523"	619.284602	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+Cl"	34.969402
"670225"	911.442202	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+Cl"	34.969402
"1285543"	327.127002	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Cl"	34.969402
"26278"	621.263806	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M-2H+K"	36.948606
"465838"	913.421406	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M-2H+K"	36.948606
"841453"	329.106206	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-2H+K"	36.948606
"1563851"	329.106206	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+K-2H"	36.948606
"949914"	337.155794	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-H+HCOOH"	44.998194
"367034"	629.313401	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+HCOOH-H"	44.998201
"357117"	643.329051	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+Hac-H"	59.013851
"1501572"	351.171451	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Hac-H"	59.013851
"966926"	359.137751	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-H+NaCOOH"	66.980151
"115834"	327.127002	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+2Cl"	69.938804
"557586"	473.205802	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+2Cl"	69.938804
"1027481"	181.048202	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2Cl"	69.938804
"1251433"	371.076485	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Br"	78.918885
"1312787"	373.132472	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Cl+HCOOH"	80.974872
"1324814"	395.114429	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Cl+NaCOOH"	102.956829
"918060"	405.143186	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M-H+CF3COOH"	112.985586
"1298050"	441.119864	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Cl+CF3COOH"	148.962264
"1372201"	257.144924	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H-2H2O"	-35.012676
"1383984"	275.1549	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H-H2O"	-17.0027
"285371"	585.322476	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+H"	1.007276
"680346"	877.480076	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+H"	1.007276
"1353166"	293.164876	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H"	1.007276
"127029"	293.164876	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+2H"	2.014552
"566708"	439.243676	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+2H"	2.014552
"1042331"	147.086076	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2H"	2.014552
"208045"	195.779009333333	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+3H"	3.021828
"650890"	293.164876	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+3H"	3.021828
"1174488"	98.3931426666667	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+3H"	3.021828
"433383"	602.349023	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+NH4"	18.033823
"795474"	894.506623	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+NH4"	18.033823
"1690711"	310.191423	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+NH4"	18.033823
"338990"	301.6781495	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+H+NH4"	19.041099
"731412"	447.7569495	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+H+NH4"	19.041099
"1480861"	155.5993495	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H+NH4"	19.041099
"397353"	607.304418	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+Na"	22.989218
"759441"	899.462018	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+Na"	22.989218
"1608633"	315.146818	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Na"	22.989218
"316849"	304.155847	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+H+Na"	23.996494
"708904"	450.234647	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+H+Na"	23.996494
"1466014"	158.077047	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H+Na"	23.996494
"1055974"	105.720456666667	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2H+Na"	25.00377
"1258018"	325.191086	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+CH3OH+H"	33.033486
"379508"	623.278358	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+K"	38.963158
"740864"	915.435958	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+K"	38.963158
"1540359"	331.120758	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+K"	38.963158
"301915"	312.142817	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+H+K"	39.970434
"691866"	458.221617	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+H+K"	39.970434
"1450352"	166.064017	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H+K"	39.970434
"237494"	626.349026	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+ACN+H"	42.033826
"1212024"	334.191426	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+ACN+H"	42.033826
"1196272"	167.599351	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+ACN+2H"	43.041102
"196071"	629.28636	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+2Na-H"	44.97116
"633079"	921.44396	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+2Na-H"	44.97116
"1142424"	337.12876	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2Na-H"	44.97116
"184621"	315.146818	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+2Na"	45.978436
"618714"	461.225618	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+2Na"	45.978436
"1119666"	169.068018	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2Na"	45.978436
"1401729"	113.047770666667	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H+2Na"	46.985712
"1437859"	339.170346	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H+HCOOH"	47.012746
"226461"	320.17984	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+3H2O+2H"	56.04448
"1514523"	353.22239	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+IsoProp+H"	61.06479
"412386"	323.133788	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+Na+K"	61.952376
"772653"	469.212588	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+Na+K"	61.952376
"1671536"	177.054988	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Na+K"	61.952376
"254780"	648.330968	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+ACN+Na"	64.015768
"1227852"	356.173368	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+ACN+Na"	64.015768
"1712745"	356.196893	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+NH4+HCOOH"	64.039293
"1179541"	120.375084666667	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+3Na"	68.967654
"1650885"	361.152288	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Na+HCOOH"	68.994688
"157383"	661.23424	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+2K-H"	76.91904
"603512"	953.39184	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+2K-H"	76.91904
"1094588"	369.07664	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2K-H"	76.91904
"149218"	331.120758	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"2M+2K"	77.926316
"589879"	477.199558	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"3M+2K"	77.926316
"1079493"	185.041958	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2K"	77.926316
"1109784"	371.091192	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2K+H"	78.933592
"1340706"	371.178807	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+DMSO+H"	79.021207
"1012518"	375.217976	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2ACN+H"	83.060376
"1533923"	376.211608	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+IsoProp+Na+H"	84.054008
"1000373"	188.112626	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+2ACN+2H"	84.067652
"1598156"	377.126228	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+K+HCOOH"	84.968628
"1427092"	407.157738	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+H+CF3COOH"	115.000138
"1161023"	208.625901	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+3ACN+2H"	125.094202
"1702555"	424.184285	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+NH4+CF3COOH"	132.026685
"1640391"	429.13968	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+Na+CF3COOH"	136.98208
"1581511"	445.11362	"C11633"	"16-Epivellosimine"	"C19H20N2O"	"292.1576"	"M+K+CF3COOH"	152.95602
"808595"	292.1576	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M"	0
"987960"	273.13921	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-H2O-H"	-19.01839
"74744"	193.764457333333	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M-3H"	-3.021828
"514303"	291.150324	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M-3H"	-3.021828
"888825"	96.3785906666667	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-3H"	-3.021828
"12867"	291.150324	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M-2H"	-2.014552
"449145"	437.229124	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M-2H"	-2.014552
"828040"	145.071524	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-2H"	-2.014552
"91321"	583.307924	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M-H"	-1.007276
"528694"	875.465524	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M-H"	-1.007276
"903216"	291.150324	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-H"	-1.007276
"53219"	600.334471	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M-2H+NH4"	16.019271
"492779"	892.492071	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M-2H+NH4"	16.019271
"866206"	308.176871	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-2H+NH4"	16.019271
"39575"	605.289866	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M-2H+Na"	20.974666
"482416"	897.447466	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M-2H+Na"	20.974666
"851469"	313.132266	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-2H+Na"	20.974666
"1624282"	313.132266	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Na-2H"	20.974666
"106284"	309.138663	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M-H+Cl"	33.962126
"546936"	455.217463	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M-H+Cl"	33.962126
"940087"	163.059863	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-H+Cl"	33.962126
"276819"	619.284602	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+Cl"	34.969402
"672522"	911.442202	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+Cl"	34.969402
"1286384"	327.127002	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Cl"	34.969402
"28572"	621.263806	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M-2H+K"	36.948606
"465947"	913.421406	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M-2H+K"	36.948606
"843750"	329.106206	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-2H+K"	36.948606
"1565053"	329.106206	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+K-2H"	36.948606
"952939"	337.155794	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-H+HCOOH"	44.998194
"368966"	629.313401	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+HCOOH-H"	44.998201
"355042"	643.329051	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+Hac-H"	59.013851
"1502776"	351.171451	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Hac-H"	59.013851
"965945"	359.137751	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-H+NaCOOH"	66.980151
"117402"	327.127002	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+2Cl"	69.938804
"554778"	473.205802	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+2Cl"	69.938804
"1027955"	181.048202	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2Cl"	69.938804
"1248263"	371.076485	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Br"	78.918885
"1309617"	373.132472	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Cl+HCOOH"	80.974872
"1323830"	395.114429	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Cl+NaCOOH"	102.956829
"915619"	405.143186	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M-H+CF3COOH"	112.985586
"1291600"	441.119864	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Cl+CF3COOH"	148.962264
"1369760"	257.144924	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H-2H2O"	-35.012676
"1387255"	275.1549	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H-H2O"	-17.0027
"286211"	585.322476	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+H"	1.007276
"680457"	877.480076	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+H"	1.007276
"1353523"	293.164876	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H"	1.007276
"128964"	293.164876	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+2H"	2.014552
"566699"	439.243676	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+2H"	2.014552
"1050095"	147.086076	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2H"	2.014552
"210343"	195.779009333333	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+3H"	3.021828
"651001"	293.164876	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+3H"	3.021828
"1177513"	98.3931426666667	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+3H"	3.021828
"433493"	602.349023	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+NH4"	18.033823
"795584"	894.506623	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+NH4"	18.033823
"1694101"	310.191423	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+NH4"	18.033823
"340194"	301.6781495	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+H+NH4"	19.041099
"734801"	447.7569495	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+H+NH4"	19.041099
"1483158"	155.5993495	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H+NH4"	19.041099
"399650"	607.304418	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+Na"	22.989218
"759551"	899.462018	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+Na"	22.989218
"1608742"	315.146818	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Na"	22.989218
"316958"	304.155847	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+H+Na"	23.996494
"710108"	450.234647	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+H+Na"	23.996494
"1467214"	158.077047	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H+Na"	23.996494
"1056085"	105.720456666667	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2H+Na"	25.00377
"1258858"	325.191086	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+CH3OH+H"	33.033486
"381804"	623.278358	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+K"	38.963158
"742798"	915.435958	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+K"	38.963158
"1542661"	331.120758	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+K"	38.963158
"303119"	312.142817	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+H+K"	39.970434
"693357"	458.221617	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+H+K"	39.970434
"1450462"	166.064017	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H+K"	39.970434
"239063"	626.349026	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+ACN+H"	42.033826
"1212135"	334.191426	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+ACN+H"	42.033826
"1195043"	167.599351	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+ACN+2H"	43.041102
"193995"	629.28636	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+2Na-H"	44.97116
"634648"	921.44396	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+2Na-H"	44.97116
"1144721"	337.12876	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2Na-H"	44.97116
"183638"	315.146818	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+2Na"	45.978436
"617731"	461.225618	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+2Na"	45.978436
"1119411"	169.068018	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2Na"	45.978436
"1402205"	113.047770666667	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H+2Na"	46.985712
"1440156"	339.170346	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H+HCOOH"	47.012746
"230945"	320.17984	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+3H2O+2H"	56.04448
"1520100"	353.22239	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+IsoProp+H"	61.06479
"417599"	323.133788	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+Na+K"	61.952376
"784913"	469.212588	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+Na+K"	61.952376
"1680037"	177.054988	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Na+K"	61.952376
"259264"	648.330968	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+ACN+Na"	64.015768
"1230148"	356.173368	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+ACN+Na"	64.015768
"1717576"	356.196893	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+NH4+HCOOH"	64.039293
"1184023"	120.375084666667	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+3Na"	68.967654
"1655010"	361.152288	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Na+HCOOH"	68.994688
"158591"	661.23424	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+2K-H"	76.91904
"599611"	953.39184	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+2K-H"	76.91904
"1094337"	369.07664	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2K-H"	76.91904
"150426"	331.120758	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"2M+2K"	77.926316
"586346"	477.199558	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"3M+2K"	77.926316
"1073773"	185.041958	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2K"	77.926316
"1107709"	371.091192	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2K+H"	78.933592
"1339724"	371.178807	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+DMSO+H"	79.021207
"1012627"	375.217976	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2ACN+H"	83.060376
"1532576"	376.211608	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+IsoProp+Na+H"	84.054008
"999389"	188.112626	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+2ACN+2H"	84.067652
"1597172"	377.126228	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+K+HCOOH"	84.968628
"1427202"	407.157738	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+H+CF3COOH"	115.000138
"1160769"	208.625901	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+3ACN+2H"	125.094202
"1702665"	424.184285	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+NH4+CF3COOH"	132.026685
"1640501"	429.13968	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+Na+CF3COOH"	136.98208
"1584901"	445.11362	"C11634"	"Vellosimine"	"C19H20N2O"	"292.1576"	"M+K+CF3COOH"	152.95602
"803238"	294.1732	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M"	0
"982238"	275.15481	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-H2O-H"	-19.01839
"74854"	195.108190666667	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M-3H"	-3.021828
"506760"	293.165924	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M-3H"	-3.021828
"884561"	97.0504573333333	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-3H"	-3.021828
"10790"	293.165924	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M-2H"	-2.014552
"449256"	440.252524	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M-2H"	-2.014552
"827056"	146.079324	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-2H"	-2.014552
"88151"	587.339124	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M-H"	-1.007276
"522244"	881.512324	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M-H"	-1.007276
"895991"	293.165924	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-H"	-1.007276
"52236"	604.365671	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M-2H+NH4"	16.019271
"492889"	898.538871	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M-2H+NH4"	16.019271
"866437"	310.192471	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-2H+NH4"	16.019271
"38592"	609.321066	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M-2H+Na"	20.974666
"479246"	903.494266	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M-2H+Na"	20.974666
"850486"	315.147866	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-2H+Na"	20.974666
"1623299"	315.147866	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Na-2H"	20.974666
"107487"	311.154263	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M-H+Cl"	33.962126
"546318"	458.240863	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M-H+Cl"	33.962126
"940926"	164.067663	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-H+Cl"	33.962126
"276929"	623.315802	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+Cl"	34.969402
"672995"	917.489002	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+Cl"	34.969402
"1285764"	329.142602	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Cl"	34.969402
"27954"	625.295006	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M-2H+K"	36.948606
"466057"	919.468206	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M-2H+K"	36.948606
"840580"	331.121806	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-2H+K"	36.948606
"1564436"	331.121806	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+K-2H"	36.948606
"952320"	339.171394	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-H+HCOOH"	44.998194
"370169"	633.344601	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+HCOOH-H"	44.998201
"356244"	647.360251	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+Hac-H"	59.013851
"1502886"	353.187051	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Hac-H"	59.013851
"969334"	361.153351	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-H+NaCOOH"	66.980151
"118243"	329.142602	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+2Cl"	69.938804
"554888"	476.229202	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+2Cl"	69.938804
"1026970"	182.056002	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2Cl"	69.938804
"1248373"	373.092085	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Br"	78.918885
"1310091"	375.148072	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Cl+HCOOH"	80.974872
"1323211"	397.130029	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Cl+NaCOOH"	102.956829
"914269"	407.158786	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M-H+CF3COOH"	112.985586
"1292803"	443.135464	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Cl+CF3COOH"	148.962264
"1369141"	259.160524	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H-2H2O"	-35.012676
"1389553"	277.1705	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H-H2O"	-17.0027
"285229"	589.353676	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+H"	1.007276
"681661"	883.526876	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+H"	1.007276
"1355092"	295.180476	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H"	1.007276
"127982"	295.180476	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+2H"	2.014552
"567906"	442.267076	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+2H"	2.014552
"1050205"	148.093876	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2H"	2.014552
"215919"	197.122742666667	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+3H"	3.021828
"654385"	295.180476	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+3H"	3.021828
"1176895"	99.0650093333334	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+3H"	3.021828
"434696"	606.380223	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+NH4"	18.033823
"798611"	900.553423	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+NH4"	18.033823
"1695914"	312.207023	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+NH4"	18.033823
"342492"	303.6937495	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+H+NH4"	19.041099
"736371"	450.7803495	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+H+NH4"	19.041099
"1483269"	156.6071495	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H+NH4"	19.041099
"403041"	611.335618	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+Na"	22.989218
"765130"	905.508818	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+Na"	22.989218
"1608854"	317.162418	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Na"	22.989218
"317798"	306.171447	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+H+Na"	23.996494
"711313"	453.258047	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+H+Na"	23.996494
"1467323"	159.084847	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H+Na"	23.996494
"1058381"	106.392323333333	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2H+Na"	25.00377
"1264434"	327.206686	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+CH3OH+H"	33.033486
"380091"	627.309558	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+K"	38.963158
"742906"	921.482758	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+K"	38.963158
"1543863"	333.136358	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+K"	38.963158
"301043"	314.158417	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+H+K"	39.970434
"691641"	461.245017	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+H+K"	39.970434
"1451665"	167.071817	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H+K"	39.970434
"240266"	630.380226	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+ACN+H"	42.033826
"1215160"	336.207026	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+ACN+H"	42.033826
"1197221"	168.607151	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+ACN+2H"	43.041102
"195562"	633.31756	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+2Na-H"	44.97116
"634392"	927.49076	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+2Na-H"	44.97116
"1133888"	339.14436	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2Na-H"	44.97116
"180466"	317.162418	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+2Na"	45.978436
"618568"	464.249018	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+2Na"	45.978436
"1119520"	170.075818	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2Na"	45.978436
"1404135"	113.719637333333	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H+2Na"	46.985712
"1436986"	341.185946	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H+HCOOH"	47.012746
"224495"	322.19544	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+3H2O+2H"	56.04448
"1519117"	355.23799	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+IsoProp+H"	61.06479
"417710"	325.149388	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+Na+K"	61.952376
"781985"	472.235988	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+Na+K"	61.952376
"1680506"	178.062788	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Na+K"	61.952376
"265687"	652.362168	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+ACN+Na"	64.015768
"1229895"	358.188968	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+ACN+Na"	64.015768
"1715864"	358.212493	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+NH4+HCOOH"	64.039293
"1182310"	121.046951333333	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+3Na"	68.967654
"1652933"	363.167888	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Na+HCOOH"	68.994688
"163075"	665.26544	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+2K-H"	76.91904
"598992"	959.43864	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+2K-H"	76.91904
"1095176"	371.09224	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2K-H"	76.91904
"151264"	333.136358	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"2M+2K"	77.926316
"589735"	480.222958	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"3M+2K"	77.926316
"1077163"	186.049758	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2K"	77.926316
"1108549"	373.106792	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2K+H"	78.933592
"1344572"	373.194407	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+DMSO+H"	79.021207
"1013832"	377.233576	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2ACN+H"	83.060376
"1533050"	378.227208	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+IsoProp+Na+H"	84.054008
"999499"	189.120426	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+2ACN+2H"	84.067652
"1598011"	379.141828	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+K+HCOOH"	84.968628
"1427312"	409.173338	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+H+CF3COOH"	115.000138
"1159786"	209.633701	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+3ACN+2H"	125.094202
"1711523"	426.199885	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+NH4+CF3COOH"	132.026685
"1640612"	431.15528	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+Na+CF3COOH"	136.98208
"1585011"	447.12922	"C11635"	"10-Deoxysarpagine;Sarpagan-17-ol"	"C19H22N2O"	"294.1732"	"M+K+CF3COOH"	152.95602
"802255"	360.142	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M"	0
"982348"	341.12361	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-H2O-H"	-19.01839
"73871"	239.087390666667	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M-3H"	-3.021828
"505777"	359.134724	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M-3H"	-3.021828
"883578"	119.040057333333	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-3H"	-3.021828
"3245"	359.134724	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M-2H"	-2.014552
"448274"	539.205724	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M-2H"	-2.014552
"823887"	179.063724	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-2H"	-2.014552
"84981"	719.276724	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M-H"	-1.007276
"518706"	1079.418724	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M-H"	-1.007276
"897970"	359.134724	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-H"	-1.007276
"57814"	736.303271	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M-2H+NH4"	16.019271
"490812"	1096.445271	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M-2H+NH4"	16.019271
"865575"	376.161271	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-2H+NH4"	16.019271
"33356"	741.258666	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M-2H+Na"	20.974666
"472428"	1101.400666	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M-2H+Na"	20.974666
"848609"	381.116666	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-2H+Na"	20.974666
"1623409"	381.116666	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Na-2H"	20.974666
"102128"	377.123063	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M-H+Cl"	33.962126
"543876"	557.194063	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M-H+Cl"	33.962126
"940671"	197.052063	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-H+Cl"	33.962126
"275945"	755.253402	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+Cl"	34.969402
"671646"	1115.395402	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+Cl"	34.969402
"1281863"	395.111402	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Cl"	34.969402
"28792"	757.232606	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M-2H+K"	36.948606
"466168"	1117.374606	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M-2H+K"	36.948606
"840690"	397.090606	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-2H+K"	36.948606
"1566370"	397.090606	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+K-2H"	36.948606
"953159"	405.140194	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-H+HCOOH"	44.998194
"369186"	765.282201	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+HCOOH-H"	44.998201
"358177"	779.297851	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+Hac-H"	59.013851
"1501903"	419.155851	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Hac-H"	59.013851
"969445"	427.122151	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-H+NaCOOH"	66.980151
"119445"	395.111402	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+2Cl"	69.938804
"554998"	575.182402	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+2Cl"	69.938804
"1026352"	215.040402	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2Cl"	69.938804
"1248483"	439.060885	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Br"	78.918885
"1314211"	441.116872	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Cl+HCOOH"	80.974872
"1326239"	463.098829	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Cl+NaCOOH"	102.956829
"915837"	473.127586	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M-H+CF3COOH"	112.985586
"1295100"	509.104264	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Cl+CF3COOH"	148.962264
"1371074"	325.129324	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H-2H2O"	-35.012676
"1389662"	343.1393	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H-H2O"	-17.0027
"288255"	721.291276	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+H"	1.007276
"680677"	1081.433276	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+H"	1.007276
"1353744"	361.149276	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H"	1.007276
"128822"	361.149276	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+2H"	2.014552
"567286"	541.220276	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+2H"	2.014552
"1047765"	181.078276	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2H"	2.014552
"213843"	241.101942666667	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+3H"	3.021828
"654498"	361.149276	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+3H"	3.021828
"1175909"	121.054609333333	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+3H"	3.021828
"434807"	738.317823	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+NH4"	18.033823
"799084"	1098.459823	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+NH4"	18.033823
"1689946"	378.175823	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+NH4"	18.033823
"343694"	369.6625495	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+H+NH4"	19.041099
"736848"	549.7335495	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+H+NH4"	19.041099
"1488844"	189.5915495	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H+NH4"	19.041099
"402058"	743.273218	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+Na"	22.989218
"758678"	1103.415218	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+Na"	22.989218
"1611150"	383.131218	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Na"	22.989218
"317907"	372.140247	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+H+Na"	23.996494
"712517"	552.211247	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+H+Na"	23.996494
"1467433"	192.069247	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H+Na"	23.996494
"1059584"	128.381923333333	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2H+Na"	25.00377
"1265637"	393.175486	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+CH3OH+H"	33.033486
"379837"	759.247158	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+K"	38.963158
"741923"	1119.389158	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+K"	38.963158
"1543973"	399.105158	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+K"	38.963158
"300059"	380.127217	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+H+K"	39.970434
"691751"	560.198217	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+H+K"	39.970434
"1450682"	200.056217	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H+K"	39.970434
"238554"	762.317826	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+ACN+H"	42.033826
"1212720"	402.175826	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+ACN+H"	42.033826
"1199155"	201.591551	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+ACN+2H"	43.041102
"196036"	765.25516	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+2Na-H"	44.97116
"631586"	1125.39716	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+2Na-H"	44.97116
"1133998"	405.11316	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2Na-H"	44.97116
"178388"	383.131218	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+2Na"	45.978436
"618676"	563.202218	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+2Na"	45.978436
"1120358"	203.060218	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2Na"	45.978436
"1404245"	135.709237333333	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H+2Na"	46.985712
"1437096"	407.154746	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H+HCOOH"	47.012746
"225698"	388.16424	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+3H2O+2H"	56.04448
"1517040"	421.20679	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+IsoProp+H"	61.06479
"414540"	391.118188	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+Na+K"	61.952376
"781001"	571.189188	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+Na+K"	61.952376
"1679399"	211.047188	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Na+K"	61.952376
"263852"	784.299768	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+ACN+Na"	64.015768
"1227453"	424.157768	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+ACN+Na"	64.015768
"1715974"	424.181293	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+NH4+HCOOH"	64.039293
"1180963"	143.036551333333	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+3Na"	68.967654
"1653043"	429.136688	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Na+HCOOH"	68.994688
"159905"	797.20304	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+2K-H"	76.91904
"598737"	1157.34504	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+2K-H"	76.91904
"1091637"	437.06104	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2K-H"	76.91904
"155016"	399.105158	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"2M+2K"	77.926316
"589845"	579.176158	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"3M+2K"	77.926316
"1078730"	219.034158	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2K"	77.926316
"1111938"	439.075592	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2K+H"	78.933592
"1347597"	439.163207	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+DMSO+H"	79.021207
"1017585"	443.202376	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2ACN+H"	83.060376
"1532063"	444.196008	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+IsoProp+Na+H"	84.054008
"1001792"	222.104826	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+2ACN+2H"	84.067652
"1595201"	445.110628	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+K+HCOOH"	84.968628
"1425234"	475.142138	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+H+CF3COOH"	115.000138
"1157708"	242.618101	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+3ACN+2H"	125.094202
"1702885"	492.168685	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+NH4+CF3COOH"	132.026685
"1644001"	497.12408	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+Na+CF3COOH"	136.98208
"1585121"	513.09802	"C11636"	"7-Deoxyloganate"	"C16H24O9"	"360.142"	"M+K+CF3COOH"	152.95602
"803458"	390.277	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M"	0
"982458"	371.25861	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-H2O-H"	-19.01839
"73981"	259.177390666667	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M-3H"	-3.021828
"505887"	389.269724	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M-3H"	-3.021828
"885875"	129.085057333333	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-3H"	-3.021828
"6635"	389.269724	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M-2H"	-2.014552
"451664"	584.408224	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M-2H"	-2.014552
"827277"	194.131224	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-2H"	-2.014552
"79866"	779.546724	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M-H"	-1.007276
"518815"	1169.823724	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M-H"	-1.007276
"899173"	389.269724	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-H"	-1.007276
"58653"	796.573271	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M-2H+NH4"	16.019271
"488005"	1186.850271	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M-2H+NH4"	16.019271
"865563"	406.296271	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-2H+NH4"	16.019271
"35532"	801.528666	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M-2H+Na"	20.974666
"471522"	1191.805666	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M-2H+Na"	20.974666
"848960"	411.251666	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-2H+Na"	20.974666
"1620238"	411.251666	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Na-2H"	20.974666
"97864"	407.258063	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M-H+Cl"	33.962126
"538517"	602.396563	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M-H+Cl"	33.962126
"937866"	212.119563	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-H+Cl"	33.962126
"274962"	815.523402	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+Cl"	34.969402
"666288"	1205.800402	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+Cl"	34.969402
"1277598"	425.246402	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Cl"	34.969402
"26715"	817.502606	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M-2H+K"	36.948606
"462998"	1207.779606	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M-2H+K"	36.948606
"839706"	427.225606	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-2H+K"	36.948606
"1565385"	427.225606	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+K-2H"	36.948606
"949987"	435.275194	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-H+HCOOH"	44.998194
"370390"	825.552201	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+HCOOH-H"	44.998201
"356100"	839.567851	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+Hac-H"	59.013851
"1504198"	449.290851	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Hac-H"	59.013851
"969554"	457.257151	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-H+NaCOOH"	66.980151
"118462"	425.246402	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+2Cl"	69.938804
"556203"	620.384902	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+2Cl"	69.938804
"1031930"	230.107902	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2Cl"	69.938804
"1252603"	469.195885	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Br"	78.918885
"1317602"	471.251872	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Cl+HCOOH"	80.974872
"1326350"	493.233829	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Cl+NaCOOH"	102.956829
"917770"	503.262586	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M-H+CF3COOH"	112.985586
"1298490"	539.239264	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Cl+CF3COOH"	148.962264
"1371184"	355.264324	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H-2H2O"	-35.012676
"1389772"	373.2743	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H-H2O"	-17.0027
"288365"	781.561276	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+H"	1.007276
"680787"	1171.838276	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+H"	1.007276
"1353855"	391.284276	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H"	1.007276
"128203"	391.284276	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+2H"	2.014552
"567517"	586.422776	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+2H"	2.014552
"1047875"	196.145776	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2H"	2.014552
"212859"	261.191942666667	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+3H"	3.021828
"654608"	391.284276	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+3H"	3.021828
"1176504"	131.099609333333	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+3H"	3.021828
"437103"	798.587823	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+NH4"	18.033823
"799194"	1188.864823	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+NH4"	18.033823
"1691149"	408.310823	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+NH4"	18.033823
"341614"	399.7975495	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+H+NH4"	19.041099
"737566"	594.9360495	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+H+NH4"	19.041099
"1490776"	204.6590495	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H+NH4"	19.041099
"401075"	803.543218	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+Na"	22.989218
"763164"	1193.820218	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+Na"	22.989218
"1609073"	413.266218	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Na"	22.989218
"318017"	402.275247	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+H+Na"	23.996494
"711533"	597.413747	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+H+Na"	23.996494
"1464262"	207.136747	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H+Na"	23.996494
"1054953"	138.426923333333	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2H+Na"	25.00377
"1261373"	423.310486	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+CH3OH+H"	33.033486
"379947"	819.517158	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+K"	38.963158
"740211"	1209.794158	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+K"	38.963158
"1542989"	429.240158	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+K"	38.963158
"301260"	410.262217	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+H+K"	39.970434
"691496"	605.400717	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+H+K"	39.970434
"1451885"	215.123717	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H+K"	39.970434
"236841"	822.587826	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+ACN+H"	42.033826
"1211371"	432.310826	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+ACN+H"	42.033826
"1198901"	216.659051	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+ACN+2H"	43.041102
"195782"	825.52516	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+2Na-H"	44.97116
"633519"	1215.80216	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+2Na-H"	44.97116
"1138847"	435.24816	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2Na-H"	44.97116
"177770"	413.266218	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+2Na"	45.978436
"618423"	608.404718	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+2Na"	45.978436
"1120105"	218.127718	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2Na"	45.978436
"1407273"	145.754237333333	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H+2Na"	46.985712
"1433926"	437.289746	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H+HCOOH"	47.012746
"225808"	418.29924	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+3H2O+2H"	56.04448
"1519337"	451.34179	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+IsoProp+H"	61.06479
"421210"	421.253188	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+Na+K"	61.952376
"782204"	616.391688	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+Na+K"	61.952376
"1677443"	226.114688	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Na+K"	61.952376
"260682"	844.569768	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+ACN+Na"	64.015768
"1230479"	454.292768	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+ACN+Na"	64.015768
"1714140"	454.316293	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+NH4+HCOOH"	64.039293
"1183260"	153.081551333333	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+3Na"	68.967654
"1652060"	459.271688	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Na+HCOOH"	68.994688
"160015"	857.47304	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+2K-H"	76.91904
"598847"	1247.75004	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+2K-H"	76.91904
"1088831"	467.19604	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2K-H"	76.91904
"151844"	429.240158	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"2M+2K"	77.926316
"593235"	624.378658	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"3M+2K"	77.926316
"1081027"	234.101658	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2K"	77.926316
"1110226"	469.210592	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2K+H"	78.933592
"1347707"	469.298207	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+DMSO+H"	79.021207
"1020126"	473.337376	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2ACN+H"	83.060376
"1533267"	474.331008	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+IsoProp+Na+H"	84.054008
"1004089"	237.172326	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+2ACN+2H"	84.067652
"1596405"	475.245628	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+K+HCOOH"	84.968628
"1425344"	505.277138	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+H+CF3COOH"	115.000138
"1157818"	257.685601	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+3ACN+2H"	125.094202
"1702995"	522.303685	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+NH4+CF3COOH"	132.026685
"1644111"	527.25908	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+Na+CF3COOH"	136.98208
"1585231"	543.23302	"C11637"	"3alpha12alpha-Dihydroxy-5beta-chol-6-enoate"	"C24H38O4"	"390.277"	"M+K+CF3COOH"	152.95602
"811223"	169.014	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M"	0
"982568"	149.99561	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-H2O-H"	-19.01839
"75184"	111.668724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M-3H"	-3.021828
"509277"	168.006724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M-3H"	-3.021828
"889265"	55.330724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-3H"	-3.021828
"8932"	168.006724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M-2H"	-2.014552
"452867"	252.513724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M-2H"	-2.014552
"829210"	83.499724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-2H"	-2.014552
"79734"	337.020724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M-H"	-1.007276
"518999"	506.034724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M-H"	-1.007276
"897096"	168.006724	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-H"	-1.007276
"50379"	354.047271	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M-2H+NH4"	16.019271
"487627"	523.061271	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M-2H+NH4"	16.019271
"865061"	185.033271	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-2H+NH4"	16.019271
"33454"	359.002666	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M-2H+Na"	20.974666
"471633"	528.016666	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M-2H+Na"	20.974666
"852995"	189.988666	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-2H+Na"	20.974666
"1619253"	189.988666	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Na-2H"	20.974666
"97974"	185.995063	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M-H+Cl"	33.962126
"536440"	270.502063	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M-H+Cl"	33.962126
"935424"	101.488063	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-H+Cl"	33.962126
"268631"	372.997402	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+Cl"	34.969402
"668585"	542.011402	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+Cl"	34.969402
"1277708"	203.983402	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Cl"	34.969402
"26825"	374.976606	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M-2H+K"	36.948606
"462014"	543.990606	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M-2H+K"	36.948606
"837629"	205.962606	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-2H+K"	36.948606
"1567318"	205.962606	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+K-2H"	36.948606
"947910"	214.012194	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-H+HCOOH"	44.998194
"366853"	383.026201	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+HCOOH-H"	44.998201
"356571"	397.041851	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+Hac-H"	59.013851
"1504308"	228.027851	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Hac-H"	59.013851
"967476"	235.994151	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-H+NaCOOH"	66.980151
"119665"	203.983402	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+2Cl"	69.938804
"557042"	288.490402	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+2Cl"	69.938804
"1030219"	119.476402	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2Cl"	69.938804
"1253806"	247.932885	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Br"	78.918885
"1317348"	249.988872	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Cl+HCOOH"	80.974872
"1326459"	271.970829	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Cl+NaCOOH"	102.956829
"914599"	281.999586	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M-H+CF3COOH"	112.985586
"1290580"	317.976264	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Cl+CF3COOH"	148.962264
"1372751"	134.001324	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H-2H2O"	-35.012676
"1386236"	152.0113	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H-H2O"	-17.0027
"284825"	339.035276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+H"	1.007276
"681260"	508.049276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+H"	1.007276
"1357244"	170.021276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H"	1.007276
"127215"	170.021276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+2H"	2.014552
"566776"	254.528276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+2H"	2.014552
"1037636"	85.514276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2H"	2.014552
"212970"	113.683276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+3H"	3.021828
"654716"	170.021276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+3H"	3.021828
"1173940"	57.345276	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+3H"	3.021828
"437823"	356.061823	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+NH4"	18.033823
"799305"	525.075823	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+NH4"	18.033823
"1696123"	187.047823	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+NH4"	18.033823
"341724"	178.5345495	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+H+NH4"	19.041099
"737678"	263.0415495	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+H+NH4"	19.041099
"1491373"	94.0275495	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H+NH4"	19.041099
"397905"	361.017218	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+Na"	22.989218
"759994"	530.031218	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+Na"	22.989218
"1609183"	192.003218	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Na"	22.989218
"317034"	181.012247	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+H+Na"	23.996494
"709457"	265.519247	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+H+Na"	23.996494
"1465465"	96.505247	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H+Na"	23.996494
"1055063"	64.67259	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2H+Na"	25.00377
"1261483"	202.047486	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+CH3OH+H"	33.033486
"381150"	376.991158	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+K"	38.963158
"741050"	546.005158	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+K"	38.963158
"1543100"	207.977158	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+K"	38.963158
"301006"	188.999217	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+H+K"	39.970434
"693431"	273.506217	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+H+K"	39.970434
"1450902"	104.492217	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H+K"	39.970434
"236587"	380.061826	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+ACN+H"	42.033826
"1212576"	211.047826	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+ACN+H"	42.033826
"1204844"	106.027551	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+ACN+2H"	43.041102
"196623"	382.99916	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+2Na-H"	44.97116
"633630"	552.01316	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+2Na-H"	44.97116
"1142967"	213.98516	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2Na-H"	44.97116
"177516"	192.003218	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+2Na"	45.978436
"617804"	276.510218	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+2Na"	45.978436
"1120214"	107.496218	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2Na"	45.978436
"1407383"	71.999904	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H+2Na"	46.985712
"1435493"	216.026746	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H+HCOOH"	47.012746
"228105"	197.03624	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+3H2O+2H"	56.04448
"1518354"	230.07879	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+IsoProp+H"	61.06479
"420227"	199.990188	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+Na+K"	61.952376
"783408"	284.497188	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+Na+K"	61.952376
"1677552"	115.483188	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Na+K"	61.952376
"265167"	402.043768	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+ACN+Na"	64.015768
"1239579"	233.029768	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+ACN+Na"	64.015768
"1725668"	233.053293	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+NH4+HCOOH"	64.039293
"1183370"	79.327218	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+3Na"	68.967654
"1650589"	238.008688	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Na+HCOOH"	68.994688
"160125"	414.94704	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+2K-H"	76.91904
"598593"	583.96104	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+2K-H"	76.91904
"1088576"	245.93304	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2K-H"	76.91904
"148675"	207.977158	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"2M+2K"	77.926316
"590429"	292.484158	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"3M+2K"	77.926316
"1080408"	123.470158	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2K"	77.926316
"1110336"	247.947592	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2K+H"	78.933592
"1350249"	248.035207	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+DMSO+H"	79.021207
"1017441"	252.074376	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2ACN+H"	83.060376
"1532283"	253.068008	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+IsoProp+Na+H"	84.054008
"1000918"	126.540826	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+2ACN+2H"	84.067652
"1593235"	253.982628	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+K+HCOOH"	84.968628
"1422173"	284.014138	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+H+CF3COOH"	115.000138
"1155740"	147.054101	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+3ACN+2H"	125.094202
"1706385"	301.040685	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+NH4+CF3COOH"	132.026685
"1640941"	305.99608	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+Na+CF3COOH"	136.98208
"1585341"	321.97002	"C11638"	"3-Amino-2-oxopropyl phosphate;1-Amino-3-(phosphohydroxy)propan-2-one"	"C3H8NO5P"	"169.014"	"M+K+CF3COOH"	152.95602
"805865"	598.1898	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M"	0
"984865"	579.17141	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-H2O-H"	-19.01839
"74200"	397.785924	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M-3H"	-3.021828
"507198"	597.182524	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M-3H"	-3.021828
"883905"	198.389324	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-3H"	-3.021828
"7946"	597.182524	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M-2H"	-2.014552
"445321"	896.277424	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M-2H"	-2.014552
"828589"	298.087624	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-2H"	-2.014552
"82029"	1195.372324	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M-H"	-1.007276
"520497"	1793.562124	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M-H"	-1.007276
"896229"	597.182524	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-H"	-1.007276
"47922"	1212.398871	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M-2H+NH4"	16.019271
"487974"	1810.588671	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M-2H+NH4"	16.019271
"866383"	614.209071	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-2H+NH4"	16.019271
"32218"	1217.354266	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M-2H+Na"	20.974666
"476397"	1815.544066	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M-2H+Na"	20.974666
"853106"	619.164466	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-2H+Na"	20.974666
"1621549"	619.164466	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Na-2H"	20.974666
"99177"	615.170863	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M-H+Cl"	33.962126
"535941"	914.265763	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M-H+Cl"	33.962126
"927998"	316.075963	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-H+Cl"	33.962126
"270807"	1231.349002	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+Cl"	34.969402
"665413"	1829.538802	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+Cl"	34.969402
"1277815"	633.159202	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Cl"	34.969402
"19277"	1233.328206	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M-2H+K"	36.948606
"458470"	1831.518006	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M-2H+K"	36.948606
"835545"	635.138406	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-2H+K"	36.948606
"1558673"	635.138406	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+K-2H"	36.948606
"951301"	643.187994	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-H+HCOOH"	44.998194
"370609"	1241.377801	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+HCOOH-H"	44.998201
"358505"	1255.393451	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+Hac-H"	59.013851
"1500408"	657.203651	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Hac-H"	59.013851
"966492"	665.169951	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-H+NaCOOH"	66.980151
"119774"	633.159202	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+2Cl"	69.938804
"557516"	932.254102	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+2Cl"	69.938804
"1030691"	334.064302	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2Cl"	69.938804
"1253551"	677.108685	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Br"	78.918885
"1315269"	679.164672	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Cl+HCOOH"	80.974872
"1326568"	701.146629	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Cl+NaCOOH"	102.956829
"914706"	711.175386	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M-H+CF3COOH"	112.985586
"1293606"	747.152064	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Cl+CF3COOH"	148.962264
"1368850"	563.177124	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H-2H2O"	-35.012676
"1383910"	581.1871	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H-H2O"	-17.0027
"284570"	1197.386876	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+H"	1.007276
"676624"	1795.576676	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+H"	1.007276
"1352365"	599.197076	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H"	1.007276
"127319"	599.197076	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+2H"	2.014552
"567242"	898.291976	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+2H"	2.014552
"1037866"	300.102176	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2H"	2.014552
"205641"	399.800476	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+3H"	3.021828
"656649"	599.197076	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+3H"	3.021828
"1175140"	200.403876	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+3H"	3.021828
"439398"	1214.413423	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+NH4"	18.033823
"800876"	1812.603223	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+NH4"	18.033823
"1696107"	616.223623	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+NH4"	18.033823
"337460"	607.7103495	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+H+NH4"	19.041099
"736444"	906.8052495	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+H+NH4"	19.041099
"1491967"	308.6154495	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H+NH4"	19.041099
"400196"	1219.368818	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+Na"	22.989218
"760101"	1817.558618	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+Na"	22.989218
"1609291"	621.179018	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Na"	22.989218
"314790"	610.188047	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+H+Na"	23.996494
"710656"	909.282947	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+H+Na"	23.996494
"1465207"	311.093147	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H+Na"	23.996494
"1054076"	207.73119	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2H+Na"	25.00377
"1258671"	631.223286	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+CH3OH+H"	33.033486
"379069"	1235.342758	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+K"	38.963158
"741522"	1833.532558	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+K"	38.963158
"1543209"	637.152958	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+K"	38.963158
"302574"	618.175017	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+H+K"	39.970434
"695363"	917.269917	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+H+K"	39.970434
"1447723"	319.080117	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H+K"	39.970434
"236330"	1238.413426	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+ACN+H"	42.033826
"1212686"	640.223626	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+ACN+H"	42.033826
"1199486"	320.615451	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+ACN+2H"	43.041102
"196732"	1241.35076	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+2Na-H"	44.97116
"631186"	1839.54056	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+2Na-H"	44.97116
"1136880"	643.16096	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2Na-H"	44.97116
"177990"	621.179018	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+2Na"	45.978436
"616453"	920.273918	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+2Na"	45.978436
"1119229"	322.084118	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2Na"	45.978436
"1404214"	215.058504	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H+2Na"	46.985712
"1435238"	645.202546	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H+HCOOH"	47.012746
"224204"	626.21204	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+3H2O+2H"	56.04448
"1515182"	659.25459	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+IsoProp+H"	61.06479
"412679"	629.165988	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+Na+K"	61.952376
"774767"	928.260888	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+Na+K"	61.952376
"1668914"	330.071088	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Na+K"	61.952376
"258714"	1260.395368	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+ACN+Na"	64.015768
"1229237"	662.205568	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+ACN+Na"	64.015768
"1717029"	662.229093	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+NH4+HCOOH"	64.039293
"1181288"	222.385818	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+3Na"	68.967654
"1655559"	667.184488	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Na+HCOOH"	68.994688
"160235"	1273.29864	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+2K-H"	76.91904
"598703"	1871.48844	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+2K-H"	76.91904
"1087592"	675.10884	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2K-H"	76.91904
"149877"	637.152958	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"2M+2K"	77.926316
"593454"	936.247858	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"3M+2K"	77.926316
"1080518"	338.058058	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2K"	77.926316
"1109352"	677.123392	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2K+H"	78.933592
"1350483"	677.211007	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+DMSO+H"	79.021207
"1020712"	681.250176	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2ACN+H"	83.060376
"1536767"	682.243808	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+IsoProp+Na+H"	84.054008
"1003215"	341.128726	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+2ACN+2H"	84.067652
"1597719"	683.158428	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+K+HCOOH"	84.968628
"1423376"	713.189938	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+H+CF3COOH"	115.000138
"1155850"	361.642001	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+3ACN+2H"	125.094202
"1706495"	730.216485	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+NH4+CF3COOH"	132.026685
"1641051"	735.17188	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+Na+CF3COOH"	136.98208
"1585451"	751.14582	"C11639"	"Geniposide pentaacetate;Pentaacetyl geniposide"	"C27H34O15"	"598.1898"	"M+K+CF3COOH"	152.95602
"805975"	462.2101	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M"	0
"984975"	443.19171	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-H2O-H"	-19.01839
"75404"	307.132790666667	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M-3H"	-3.021828
"506214"	461.202824	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M-3H"	-3.021828
"886203"	153.062757333333	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-3H"	-3.021828
"10245"	461.202824	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M-2H"	-2.014552
"447619"	692.307874	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M-2H"	-2.014552
"827607"	230.097774	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-2H"	-2.014552
"79344"	923.412924	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M-H"	-1.007276
"519019"	1385.623024	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M-H"	-1.007276
"896094"	461.202824	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-H"	-1.007276
"48401"	940.439471	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M-2H+NH4"	16.019271
"488689"	1402.649571	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M-2H+NH4"	16.019271
"867219"	478.229371	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-2H+NH4"	16.019271
"33301"	945.394866	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M-2H+Na"	20.974666
"473710"	1407.604966	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M-2H+Na"	20.974666
"850055"	483.184766	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-2H+Na"	20.974666
"1619225"	483.184766	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Na-2H"	20.974666
"97465"	479.191163	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M-H+Cl"	33.962126
"535442"	710.296213	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M-H+Cl"	33.962126
"927860"	248.086113	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-H+Cl"	33.962126
"269821"	959.389602	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+Cl"	34.969402
"664794"	1421.599702	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+Cl"	34.969402
"1276467"	497.179502	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Cl"	34.969402
"20482"	961.368806	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M-2H+K"	36.948606
"460041"	1423.578906	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M-2H+K"	36.948606
"837114"	499.158706	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-2H+K"	36.948606
"1558418"	499.158706	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+K-2H"	36.948606
"951411"	507.208294	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-H+HCOOH"	44.998194
"367439"	969.418401	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+HCOOH-H"	44.998201
"357522"	983.434051	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+Hac-H"	59.013851
"1499424"	521.223951	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Hac-H"	59.013851
"963686"	529.190251	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-H+NaCOOH"	66.980151
"119884"	497.179502	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+2Cl"	69.938804
"558355"	728.284552	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+2Cl"	69.938804
"1030437"	266.074452	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2Cl"	69.938804
"1254392"	541.128985	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Br"	78.918885
"1313557"	543.184972	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Cl+HCOOH"	80.974872
"1326678"	565.166929	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Cl+NaCOOH"	102.956829
"915182"	575.195686	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M-H+CF3COOH"	112.985586
"1294080"	611.172364	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Cl+CF3COOH"	148.962264
"1370054"	427.197424	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H-2H2O"	-35.012676
"1384996"	445.2074	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H-H2O"	-17.0027
"285409"	925.427476	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+H"	1.007276
"677465"	1387.637576	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+H"	1.007276
"1352722"	463.217376	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H"	1.007276
"126578"	463.217376	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+2H"	2.014552
"566379"	694.322426	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+2H"	2.014552
"1037731"	232.112326	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2H"	2.014552
"204481"	309.147342666667	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+3H"	3.021828
"656030"	463.217376	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+3H"	3.021828
"1174156"	155.077309333333	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+3H"	3.021828
"433054"	942.454023	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+NH4"	18.033823
"798431"	1404.664123	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+NH4"	18.033823
"1694031"	480.243923	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+NH4"	18.033823
"336477"	471.7306495	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+H+NH4"	19.041099
"737285"	702.8356995	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+H+NH4"	19.041099
"1488921"	240.6255995	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H+NH4"	19.041099
"400307"	947.409418	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+Na"	22.989218
"758024"	1409.619518	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+Na"	22.989218
"1606485"	485.199318	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Na"	22.989218
"315428"	474.208347	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+H+Na"	23.996494
"707966"	705.313397	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+H+Na"	23.996494
"1464220"	243.103297	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H+Na"	23.996494
"1053821"	162.404623333333	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2H+Na"	25.00377
"1257442"	495.243586	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+CH3OH+H"	33.033486
"377598"	963.383358	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+K"	38.963158
"738751"	1425.593458	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+K"	38.963158
"1541131"	501.173258	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+K"	38.963158
"301591"	482.195317	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+H+K"	39.970434
"696202"	713.300367	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+H+K"	39.970434
"1447831"	251.090267	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H+K"	39.970434
"236682"	966.454026	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+ACN+H"	42.033826
"1210363"	504.243926	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+ACN+H"	42.033826
"1194977"	252.625601	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+ACN+2H"	43.041102
"194657"	969.39136	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+2Na-H"	44.97116
"633849"	1431.60146	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+2Na-H"	44.97116
"1136261"	507.18126	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2Na-H"	44.97116
"178829"	485.199318	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+2Na"	45.978436
"616197"	716.304368	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+2Na"	45.978436
"1121162"	254.094268	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2Na"	45.978436
"1405417"	169.731937333333	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H+2Na"	46.985712
"1437533"	509.222846	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H+HCOOH"	47.012746
"226137"	490.23234	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+3H2O+2H"	56.04448
"1518571"	523.27489	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+IsoProp+H"	61.06479
"416069"	493.186288	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+Na+K"	61.952376
"774877"	724.291338	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+Na+K"	61.952376
"1670115"	262.081238	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Na+K"	61.952376
"255543"	988.435968	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+ACN+Na"	64.015768
"1230440"	526.225868	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+ACN+Na"	64.015768
"1717138"	526.249393	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+NH4+HCOOH"	64.039293
"1182492"	177.059251333333	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+3Na"	68.967654
"1655670"	531.204788	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Na+HCOOH"	68.994688
"160710"	1001.33924	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+2K-H"	76.91904
"598449"	1463.54934	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+2K-H"	76.91904
"1087702"	539.12914	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2K-H"	76.91904
"147800"	501.173258	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"2M+2K"	77.926316
"590647"	732.278308	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"3M+2K"	77.926316
"1081721"	270.068208	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2K"	77.926316
"1111284"	541.143692	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2K+H"	78.933592
"1350106"	541.231307	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+DMSO+H"	79.021207
"1020701"	545.270476	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2ACN+H"	83.060376
"1536877"	546.264108	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+IsoProp+Na+H"	84.054008
"1003325"	273.138876	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+2ACN+2H"	84.067652
"1598921"	547.178728	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+K+HCOOH"	84.968628
"1421299"	577.210238	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+H+CF3COOH"	115.000138
"1154867"	293.652151	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+3ACN+2H"	125.094202
"1703325"	594.236785	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+NH4+CF3COOH"	132.026685
"1641161"	599.19218	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+Na+CF3COOH"	136.98208
"1582281"	615.16612	"C11640"	"Patrinoside"	"C21H34O11"	"462.2101"	"M+K+CF3COOH"	152.95602
"814832"	792.4098	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M"	0
"988366"	773.39141	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-H2O-H"	-19.01839
"75513"	527.265924	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M-3H"	-3.021828
"513979"	791.402524	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M-3H"	-3.021828
"892875"	263.129324	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-3H"	-3.021828
"7076"	791.402524	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M-2H"	-2.014552
"449916"	1187.607424	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M-2H"	-2.014552
"831000"	395.197624	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-2H"	-2.014552
"80305"	1583.812324	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M-H"	-1.007276
"519986"	2376.222124	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M-H"	-1.007276
"896207"	791.402524	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-H"	-1.007276
"47542"	1600.838871	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M-2H+NH4"	16.019271
"489166"	2393.248671	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M-2H+NH4"	16.019271
"865875"	808.429071	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-2H+NH4"	16.019271
"31951"	1605.794266	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M-2H+Na"	20.974666
"472973"	2398.204066	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M-2H+Na"	20.974666
"850410"	813.384466	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-2H+Na"	20.974666
"1620675"	813.384466	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Na-2H"	20.974666
"96474"	809.390863	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M-H+Cl"	33.962126
"535673"	1205.595763	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M-H+Cl"	33.962126
"932469"	413.185963	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-H+Cl"	33.962126
"269568"	1619.789002	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+Cl"	34.969402
"663080"	2412.198802	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+Cl"	34.969402
"1276947"	827.379202	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Cl"	34.969402
"18408"	1621.768206	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M-2H+K"	36.948606
"456507"	2414.178006	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M-2H+K"	36.948606
"834429"	829.358406	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-2H+K"	36.948606
"1557436"	829.358406	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+K-2H"	36.948606
"948241"	837.407994	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-H+HCOOH"	44.998194
"367549"	1629.817801	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+HCOOH-H"	44.998201
"355809"	1643.833451	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+Hac-H"	59.013851
"1499534"	851.423651	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Hac-H"	59.013851
"964160"	859.389951	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-H+NaCOOH"	66.980151
"119994"	827.379202	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+2Cl"	69.938804
"560654"	1223.584102	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+2Cl"	69.938804
"1030547"	431.174302	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2Cl"	69.938804
"1255233"	871.328685	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Br"	78.918885
"1311479"	873.384672	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Cl+HCOOH"	80.974872
"1326058"	895.366629	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Cl+NaCOOH"	102.956829
"914561"	905.395386	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M-H+CF3COOH"	112.985586
"1294190"	941.372064	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Cl+CF3COOH"	148.962264
"1370892"	757.397124	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H-2H2O"	-35.012676
"1385469"	775.4071	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H-H2O"	-17.0027
"283937"	1585.826876	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+H"	1.007276
"675870"	2378.236676	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+H"	1.007276
"1352467"	793.417076	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H"	1.007276
"126444"	793.417076	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+2H"	2.014552
"566125"	1189.621976	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+2H"	2.014552
"1037478"	397.212176	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2H"	2.014552
"204528"	529.280476	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+3H"	3.021828
"647387"	793.417076	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+3H"	3.021828
"1175360"	265.143876	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+3H"	3.021828
"432070"	1602.853423	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+NH4"	18.033823
"795256"	2395.263223	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+NH4"	18.033823
"1695965"	810.443623	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+NH4"	18.033823
"342784"	801.9303495	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+H+NH4"	19.041099
"736670"	1198.1352495	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+H+NH4"	19.041099
"1488302"	405.7254495	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H+NH4"	19.041099
"402608"	1607.808818	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+Na"	22.989218
"757039"	2400.218618	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+Na"	22.989218
"1606229"	815.399018	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Na"	22.989218
"317360"	804.408047	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+H+Na"	23.996494
"709781"	1200.612947	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+H+Na"	23.996494
"1466882"	408.203147	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H+Na"	23.996494
"1054660"	272.47119	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2H+Na"	25.00377
"1258282"	825.443286	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+CH3OH+H"	33.033486
"377464"	1623.782758	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+K"	38.963158
"739432"	2416.192558	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+K"	38.963158
"1540752"	831.372958	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+K"	38.963158
"301701"	812.395017	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+H+K"	39.970434
"695219"	1208.599917	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+H+K"	39.970434
"1449039"	416.190117	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H+K"	39.970434
"236064"	1626.853426	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+ACN+H"	42.033826
"1212542"	834.443626	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+ACN+H"	42.033826
"1196420"	417.725451	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+ACN+2H"	43.041102
"198047"	1629.79076	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+2Na-H"	44.97116
"633231"	2422.20056	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+2Na-H"	44.97116
"1132846"	837.38096	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2Na-H"	44.97116
"177846"	815.399018	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+2Na"	45.978436
"615456"	1211.603918	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+2Na"	45.978436
"1117259"	419.194118	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2Na"	45.978436
"1402610"	279.798504	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H+2Na"	46.985712
"1433269"	839.422546	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H+HCOOH"	47.012746
"222601"	820.43204	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+3H2O+2H"	56.04448
"1515401"	853.47459	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+IsoProp+H"	61.06479
"416179"	823.385988	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+Na+K"	61.952376
"770975"	1219.590888	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+Na+K"	61.952376
"1667308"	427.181088	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Na+K"	61.952376
"254558"	1648.835368	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+ACN+Na"	64.015768
"1228364"	856.425568	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+ACN+Na"	64.015768
"1717249"	856.449093	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+NH4+HCOOH"	64.039293
"1182603"	287.125818	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+3Na"	68.967654
"1655780"	861.404488	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Na+HCOOH"	68.994688
"157898"	1661.73864	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+2K-H"	76.91904
"598680"	2454.14844	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+2K-H"	76.91904
"1085138"	869.32884	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2K-H"	76.91904
"147910"	831.372958	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"2M+2K"	77.926316
"591850"	1227.577858	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"3M+2K"	77.926316
"1082439"	435.168058	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2K"	77.926316
"1109571"	871.343392	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2K+H"	78.933592
"1350462"	871.431007	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+DMSO+H"	79.021207
"1020650"	875.470176	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2ACN+H"	83.060376
"1538080"	876.463808	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+IsoProp+Na+H"	84.054008
"1005020"	438.238726	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+2ACN+2H"	84.067652
"1596844"	877.378428	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+K+HCOOH"	84.968628
"1422501"	907.409938	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+H+CF3COOH"	115.000138
"1150603"	458.752001	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+3ACN+2H"	125.094202
"1697966"	924.436485	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+NH4+CF3COOH"	132.026685
"1637990"	929.39188	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+Na+CF3COOH"	136.98208
"1582391"	945.36582	"C11641"	"34-Anhydrovinblastine"	"C46H56N4O8"	"792.4098"	"M+K+CF3COOH"	152.95602
"809475"	352.1787	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M"	0
"987382"	333.16031	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"76717"	233.778524	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"506799"	351.171424	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"884600"	116.385624	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"4268"	351.171424	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"444558"	527.260774	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"823454"	175.082074	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"81265"	703.350124	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"519733"	1055.528824	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"897534"	351.171424	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"47365"	720.376671	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"488304"	1072.555371	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"865256"	368.197971	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"32021"	725.332066	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"471866"	1077.510766	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"849142"	373.153366	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1619321"	373.153366	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"94513"	369.159763	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"534766"	545.249113	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"928568"	193.070413	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"268582"	739.326802	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"661004"	1091.505502	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1273087"	387.148102	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"16694"	741.306006	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"456374"	1093.484706	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"834782"	389.127306	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1557546"	389.127306	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"947619"	397.176894	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"365469"	749.355601	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"352270"	763.371251	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1497091"	411.192551	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"960621"	419.158851	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"116824"	387.148102	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"554200"	563.237452	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1028470"	211.058752	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1252788"	431.097585	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1310496"	433.153572	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1324711"	455.135529	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"913579"	465.164286	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1291749"	501.140964	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1368084"	317.166024	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1383263"	335.176	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"284899"	705.364676	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"676589"	1057.543376	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1351522"	353.185976	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"126432"	353.185976	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"565984"	529.275326	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1037458"	177.096626	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"204515"	235.793076	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"644794"	353.185976	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1172183"	118.400176	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"433273"	722.391223	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"794273"	1074.569923	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1694981"	370.212523	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"345080"	361.6992495	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"737868"	537.7885995	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1487317"	185.6098995	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"399437"	727.346618	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"758242"	1079.525318	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1608525"	375.167918	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"317470"	364.176947	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"710986"	540.266297	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1464801"	188.087597	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1056953"	125.72749	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1258999"	385.212186	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"378304"	743.320558	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"739217"	1095.499258	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1540985"	391.141858	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"301813"	372.163917	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"693507"	548.253267	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1449149"	196.074567	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"236296"	746.391226	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1210461"	394.212526	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1196893"	197.609901	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"190858"	749.32856	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"631151"	1101.50726	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1133199"	397.14986	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"178320"	375.167918	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"615688"	551.257268	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1116883"	199.078568	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1401990"	133.054804	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1435565"	399.191446	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"223440"	380.20094	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1515511"	413.24349	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"416289"	383.154888	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"772545"	559.244238	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1673616"	207.065538	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"255032"	768.373168	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1236128"	416.194468	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1718453"	416.217993	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1181620"	140.382118	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1659170"	421.173388	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"159107"	781.27644	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"598669"	1133.45514	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1086830"	429.09774	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"148020"	391.141858	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"591960"	567.231208	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1083522"	215.052508	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1108588"	431.112292	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1351017"	431.199907	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1021003"	435.239076	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1538069"	436.232708	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"998077"	218.123176	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1593673"	437.147328	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1422611"	467.178838	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1149619"	238.636451	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1698804"	484.205385	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1638100"	489.16078	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1582501"	505.13472	"C11642"	"19-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"809585"	352.1787	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M"	0
"987493"	333.16031	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"75734"	233.778524	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"512013"	351.171424	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"882524"	116.385624	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"6200"	351.171424	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"445761"	527.260774	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"822471"	175.082074	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"79552"	703.350124	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"518987"	1055.528824	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"895644"	351.171424	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"47146"	720.376671	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"488530"	1072.555371	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"864404"	368.197971	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"31614"	725.332066	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"472216"	1077.510766	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"848964"	373.153366	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1618780"	373.153366	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"94462"	369.159763	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"534511"	545.249113	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"928070"	193.070413	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"268449"	739.326802	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"661843"	1091.505502	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1273560"	387.148102	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"16804"	741.306006	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"456075"	1093.484706	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"834526"	389.127306	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1557656"	389.127306	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"947000"	397.176894	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"366674"	749.355601	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"349829"	763.371251	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1495742"	411.192551	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"963650"	419.158851	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"115839"	387.148102	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"554312"	563.237452	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1028581"	211.058752	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1249253"	431.097585	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1310606"	433.153572	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1325185"	455.135529	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"914420"	465.164286	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1291494"	501.140964	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1370017"	317.166024	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1384352"	335.176	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"283183"	705.364676	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"676212"	1057.543376	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1352074"	353.185976	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"126297"	353.185976	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"566018"	529.275326	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1037572"	177.096626	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"205717"	235.793076	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"645397"	353.185976	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1169013"	118.400176	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"432290"	722.391223	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"794382"	1074.569923	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1693997"	370.212523	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"343003"	361.6992495	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"734695"	537.7885995	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1487421"	185.6098995	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"396266"	727.346618	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"754395"	1079.525318	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1605358"	375.167918	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"316489"	364.176947	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"707692"	540.266297	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1462239"	188.087597	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1054876"	125.72749	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1257076"	385.212186	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"377157"	743.320558	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"738560"	1095.499258	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1540324"	391.141858	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"298634"	372.163917	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"691589"	548.253267	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1445936"	196.074567	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"236077"	746.391226	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1210570"	394.212526	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1194401"	197.609901	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"188734"	749.32856	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"632720"	1101.50726	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1132216"	397.14986	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"179159"	375.167918	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"615071"	551.257268	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1117116"	199.078568	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1405745"	133.054804	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1433488"	399.191446	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"224644"	380.20094	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1515620"	413.24349	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"413119"	383.154888	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"775208"	559.244238	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1674819"	207.065538	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"256965"	768.373168	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1237331"	416.194468	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1725124"	416.217993	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1185011"	140.382118	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1651018"	421.173388	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"158243"	781.27644	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"598779"	1133.45514	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1086940"	429.09774	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"148130"	391.141858	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"588790"	567.231208	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1082902"	215.052508	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1108698"	431.112292	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1351240"	431.199907	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1021299"	435.239076	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1538300"	436.232708	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"998187"	218.123176	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1593783"	437.147328	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1422721"	467.178838	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1153009"	238.636451	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1698550"	484.205385	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1635659"	489.16078	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1582611"	505.13472	"C11643"	"16-Hydroxytabersonine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"809695"	422.1424	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M"	0
"988575"	403.12401	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-H2O-H"	-19.01839
"77667"	280.420990666667	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M-3H"	-3.021828
"512123"	421.135124	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M-3H"	-3.021828
"883727"	139.706857333333	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-3H"	-3.021828
"6310"	421.135124	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M-2H"	-2.014552
"444776"	632.206324	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M-2H"	-2.014552
"826953"	210.063924	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-2H"	-2.014552
"79299"	843.277524	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M-H"	-1.007276
"521045"	1265.419924	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M-H"	-1.007276
"899941"	421.135124	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-H"	-1.007276
"47743"	860.304071	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M-2H+NH4"	16.019271
"488155"	1282.446471	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M-2H+NH4"	16.019271
"865229"	438.161671	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-2H+NH4"	16.019271
"32162"	865.259466	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M-2H+Na"	20.974666
"473054"	1287.401866	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M-2H+Na"	20.974666
"850374"	443.117066	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-2H+Na"	20.974666
"1619177"	443.117066	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Na-2H"	20.974666
"95103"	439.123463	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M-H+Cl"	33.962126
"535027"	650.194663	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M-H+Cl"	33.962126
"927937"	228.052263	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-H+Cl"	33.962126
"268438"	879.254202	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+Cl"	34.969402
"661953"	1301.396602	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+Cl"	34.969402
"1273747"	457.111802	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Cl"	34.969402
"17278"	881.233406	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M-2H+K"	36.948606
"457567"	1303.375806	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M-2H+K"	36.948606
"834272"	459.091006	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-2H+K"	36.948606
"1558859"	459.091006	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+K-2H"	36.948606
"947474"	467.140594	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-H+HCOOH"	44.998194
"365689"	889.283001	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+HCOOH-H"	44.998201
"349571"	903.298651	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+Hac-H"	59.013851
"1493175"	481.156251	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Hac-H"	59.013851
"963759"	489.122551	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-H+NaCOOH"	66.980151
"115949"	457.111802	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+2Cl"	69.938804
"552231"	668.183002	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+2Cl"	69.938804
"1027232"	246.040602	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2Cl"	69.938804
"1250456"	501.061285	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Br"	78.918885
"1312903"	503.117272	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Cl+HCOOH"	80.974872
"1329305"	525.099229	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Cl+NaCOOH"	102.956829
"917081"	535.127986	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M-H+CF3COOH"	112.985586
"1290875"	571.104664	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Cl+CF3COOH"	148.962264
"1370858"	387.129724	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H-2H2O"	-35.012676
"1384828"	405.1397	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H-H2O"	-17.0027
"284026"	845.292076	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+H"	1.007276
"676204"	1267.434476	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+H"	1.007276
"1351698"	423.149676	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H"	1.007276
"125719"	423.149676	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+2H"	2.014552
"565672"	634.220876	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+2H"	2.014552
"1037192"	212.078476	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2H"	2.014552
"204611"	282.435542666667	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+3H"	3.021828
"644339"	423.149676	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+3H"	3.021828
"1170215"	141.721409333333	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+3H"	3.021828
"436773"	862.318623	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+NH4"	18.033823
"795585"	1284.461023	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+NH4"	18.033823
"1696419"	440.176223	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+NH4"	18.033823
"342384"	431.6629495	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+H+NH4"	19.041099
"735898"	642.7341495	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+H+NH4"	19.041099
"1486438"	220.5917495	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H+NH4"	19.041099
"404027"	867.274018	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+Na"	22.989218
"754817"	1289.416418	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+Na"	22.989218
"1606562"	445.131618	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Na"	22.989218
"315870"	434.140647	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+H+Na"	23.996494
"707925"	645.211847	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+H+Na"	23.996494
"1463198"	223.069447	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H+Na"	23.996494
"1054379"	149.048723333333	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2H+Na"	25.00377
"1257765"	455.175886	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+CH3OH+H"	33.033486
"377554"	883.247958	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+K"	38.963158
"739035"	1305.390358	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+K"	38.963158
"1540960"	461.105558	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+K"	38.963158
"298745"	442.127617	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+H+K"	39.970434
"691740"	653.198817	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+H+K"	39.970434
"1446086"	231.056417	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H+K"	39.970434
"236881"	886.318626	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+ACN+H"	42.033826
"1210803"	464.176226	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+ACN+H"	42.033826
"1194472"	232.591751	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+ACN+2H"	43.041102
"189174"	889.25596	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+2Na-H"	44.97116
"631005"	1311.39836	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+2Na-H"	44.97116
"1134878"	467.11356	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2Na-H"	44.97116
"181455"	445.131618	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+2Na"	45.978436
"615910"	656.202818	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+2Na"	45.978436
"1118320"	234.060418	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2Na"	45.978436
"1406948"	156.376037333333	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H+2Na"	46.985712
"1433962"	469.155146	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H+HCOOH"	47.012746
"227669"	450.16464	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+3H2O+2H"	56.04448
"1515730"	483.20719	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+IsoProp+H"	61.06479
"414322"	453.118588	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+Na+K"	61.952376
"777504"	664.189788	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+Na+K"	61.952376
"1677115"	242.047388	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Na+K"	61.952376
"257075"	908.300568	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+ACN+Na"	64.015768
"1229786"	486.158168	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+ACN+Na"	64.015768
"1725234"	486.181693	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+NH4+HCOOH"	64.039293
"1187307"	163.703351333333	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+3Na"	68.967654
"1652098"	491.137088	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Na+HCOOH"	68.994688
"157985"	921.20384	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+2K-H"	76.91904
"598155"	1343.34624	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+2K-H"	76.91904
"1085461"	499.06144	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2K-H"	76.91904
"143868"	461.105558	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"2M+2K"	77.926316
"588900"	672.176758	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"3M+2K"	77.926316
"1081068"	250.034358	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2K"	77.926316
"1106622"	501.075992	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2K+H"	78.933592
"1351039"	501.163607	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+DMSO+H"	79.021207
"1021146"	505.202776	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2ACN+H"	83.060376
"1536224"	506.196408	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+IsoProp+Na+H"	84.054008
"996110"	253.105026	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+2ACN+2H"	84.067652
"1592800"	507.111028	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+K+HCOOH"	84.968628
"1422831"	537.142538	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+H+CF3COOH"	115.000138
"1153119"	273.618301	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+3ACN+2H"	125.094202
"1698296"	554.169085	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+NH4+CF3COOH"	132.026685
"1635769"	559.12448	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+Na+CF3COOH"	136.98208
"1582721"	575.09842	"C11644"	"Lamiide"	"C17H26O12"	"422.1424"	"M+K+CF3COOH"	152.95602
"813085"	420.1632	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M"	0
"989742"	401.14481	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-H2O-H"	-19.01839
"77047"	279.101524	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M-3H"	-3.021828
"513326"	419.155924	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M-3H"	-3.021828
"886752"	139.047124	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-3H"	-3.021828
"6419"	419.155924	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M-2H"	-2.014552
"444886"	629.237524	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M-2H"	-2.014552
"823783"	209.074324	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-2H"	-2.014552
"83781"	839.319124	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M-H"	-1.007276
"524434"	1259.482324	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M-H"	-1.007276
"901143"	419.155924	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-H"	-1.007276
"47740"	856.345671	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M-2H+NH4"	16.019271
"488272"	1276.508871	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M-2H+NH4"	16.019271
"864857"	436.182471	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-2H+NH4"	16.019271
"31784"	861.301066	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M-2H+Na"	20.974666
"472683"	1281.464266	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M-2H+Na"	20.974666
"850484"	441.137866	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-2H+Na"	20.974666
"1619081"	441.137866	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Na-2H"	20.974666
"94604"	437.144263	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M-H+Cl"	33.962126
"534446"	647.225863	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M-H+Cl"	33.962126
"928776"	227.062663	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-H+Cl"	33.962126
"269641"	875.295802	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+Cl"	34.969402
"663520"	1295.459002	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+Cl"	34.969402
"1273613"	455.132602	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Cl"	34.969402
"17507"	877.275006	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M-2H+K"	36.948606
"457191"	1297.438206	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M-2H+K"	36.948606
"834017"	457.111806	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-2H+K"	36.948606
"1557267"	457.111806	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+K-2H"	36.948606
"947584"	465.161394	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-H+HCOOH"	44.998194
"366163"	885.324601	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+HCOOH-H"	44.998201
"351140"	899.340251	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+Hac-H"	59.013851
"1494502"	479.177051	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Hac-H"	59.013851
"963504"	487.143351	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-H+NaCOOH"	66.980151
"117152"	455.132602	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+2Cl"	69.938804
"553069"	665.214202	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+2Cl"	69.938804
"1027708"	245.051002	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2Cl"	69.938804
"1251659"	499.082085	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Br"	78.918885
"1309732"	501.138072	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Cl+HCOOH"	80.974872
"1325041"	523.120029	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Cl+NaCOOH"	102.956829
"914640"	533.148786	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M-H+CF3COOH"	112.985586
"1291715"	569.125464	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Cl+CF3COOH"	148.962264
"1371333"	385.150524	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H-2H2O"	-35.012676
"1383723"	403.1605	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H-H2O"	-17.0027
"282898"	841.333676	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+H"	1.007276
"675990"	1261.496876	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+H"	1.007276
"1351400"	421.170476	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H"	1.007276
"125946"	421.170476	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+2H"	2.014552
"565763"	631.252076	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+2H"	2.014552
"1037258"	211.088876	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2H"	2.014552
"204316"	281.116076	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+3H"	3.021828
"644598"	421.170476	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+3H"	3.021828
"1163507"	141.061676	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+3H"	3.021828
"438342"	858.360223	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+NH4"	18.033823
"794602"	1278.523423	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+NH4"	18.033823
"1695678"	438.197023	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+NH4"	18.033823
"341035"	429.6837495	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+H+NH4"	19.041099
"735644"	639.7653495	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+H+NH4"	19.041099
"1486546"	219.6021495	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H+NH4"	19.041099
"405230"	863.315618	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+Na"	22.989218
"757482"	1283.478818	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+Na"	22.989218
"1612139"	443.152418	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Na"	22.989218
"319989"	432.161447	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+H+Na"	23.996494
"710223"	642.243047	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+H+Na"	23.996494
"1462702"	222.079847	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H+Na"	23.996494
"1053759"	148.38899	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2H+Na"	25.00377
"1262249"	453.196686	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+CH3OH+H"	33.033486
"378637"	879.289558	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+K"	38.963158
"739754"	1299.452758	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+K"	38.963158
"1540467"	459.126358	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+K"	38.963158
"302143"	440.148417	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+H+K"	39.970434
"692134"	650.230017	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+H+K"	39.970434
"1446441"	230.066817	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H+K"	39.970434
"237111"	882.360226	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+ACN+H"	42.033826
"1212371"	462.197026	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+ACN+H"	42.033826
"1195156"	231.602151	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+ACN+2H"	43.041102
"191554"	885.29756	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+2Na-H"	44.97116
"632573"	1305.46076	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+2Na-H"	44.97116
"1139363"	465.13436	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2Na-H"	44.97116
"181568"	443.152418	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+2Na"	45.978436
"618939"	653.234018	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+2Na"	45.978436
"1124630"	233.070818	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2Na"	45.978436
"1405965"	155.716304	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H+2Na"	46.985712
"1440270"	467.175946	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H+HCOOH"	47.012746
"225596"	448.18544	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+3H2O+2H"	56.04448
"1516937"	481.22799	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+IsoProp+H"	61.06479
"416622"	451.139388	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+Na+K"	61.952376
"778709"	661.220988	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+Na+K"	61.952376
"1675039"	241.057788	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Na+K"	61.952376
"258278"	904.342168	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+ACN+Na"	64.015768
"1233176"	484.178968	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+ACN+Na"	64.015768
"1720969"	484.202493	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+NH4+HCOOH"	64.039293
"1187416"	163.043618	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+3Na"	68.967654
"1653304"	489.157888	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Na+HCOOH"	68.994688
"158341"	917.24544	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+2K-H"	76.91904
"598145"	1337.40864	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+2K-H"	76.91904
"1086299"	497.08224	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2K-H"	76.91904
"143977"	459.126358	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"2M+2K"	77.926316
"589010"	669.207958	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"3M+2K"	77.926316
"1081178"	249.044758	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2K"	77.926316
"1106732"	499.096792	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2K+H"	78.933592
"1350418"	499.184407	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+DMSO+H"	79.021207
"1020526"	503.223576	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2ACN+H"	83.060376
"1535241"	504.217208	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+IsoProp+Na+H"	84.054008
"995127"	252.115426	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+2ACN+2H"	84.067652
"1597285"	505.131828	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+K+HCOOH"	84.968628
"1425129"	535.163338	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+H+CF3COOH"	115.000138
"1149949"	272.628701	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+3ACN+2H"	125.094202
"1700594"	552.189885	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+NH4+CF3COOH"	132.026685
"1635515"	557.14528	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+Na+CF3COOH"	136.98208
"1579551"	573.11922	"C11645"	"Lamioside"	"C18H28O11"	"420.1632"	"M+K+CF3COOH"	152.95602
"809915"	542.1999	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M"	0
"986728"	523.18151	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H2O-H"	-19.01839
"69502"	360.459324	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-3H"	-3.021828
"510156"	541.192624	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-3H"	-3.021828
"881759"	179.726024	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-3H"	-3.021828
"2156"	541.192624	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H"	-2.014552
"446090"	812.292574	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H"	-2.014552
"820611"	270.092674	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H"	-2.014552
"87171"	1083.392524	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-H"	-1.007276
"524544"	1625.592424	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-H"	-1.007276
"901253"	541.192624	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H"	-1.007276
"47607"	1100.419071	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H+NH4"	16.019271
"488019"	1642.618971	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H+NH4"	16.019271
"864601"	558.219171	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H+NH4"	16.019271
"31508"	1105.374466	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H+Na"	20.974666
"471463"	1647.574366	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H+Na"	20.974666
"848883"	563.174566	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H+Na"	20.974666
"1620129"	563.174566	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na-2H"	20.974666
"94333"	559.180963	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-H+Cl"	33.962126
"534516"	830.280913	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-H+Cl"	33.962126
"927791"	288.081013	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+Cl"	33.962126
"269752"	1119.369202	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Cl"	34.969402
"662903"	1661.569102	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+Cl"	34.969402
"1273845"	577.169302	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl"	34.969402
"17254"	1121.348406	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H+K"	36.948606
"459611"	1663.548306	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H+K"	36.948606
"837412"	579.148506	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H+K"	36.948606
"1557985"	579.148506	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K-2H"	36.948606
"946602"	587.198094	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+HCOOH"	44.998194
"365181"	1129.398001	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+HCOOH-H"	44.998201
"348698"	1143.413651	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Hac-H"	59.013851
"1494612"	601.213751	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Hac-H"	59.013851
"962158"	609.180051	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+NaCOOH"	66.980151
"115441"	577.169302	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2Cl"	69.938804
"552815"	848.269252	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2Cl"	69.938804
"1025632"	306.069352	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2Cl"	69.938804
"1248490"	621.118785	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Br"	78.918885
"1306926"	623.174772	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl+HCOOH"	80.974872
"1321871"	645.156729	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl+NaCOOH"	102.956829
"914022"	655.185486	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+CF3COOH"	112.985586
"1290001"	691.162164	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl+CF3COOH"	148.962264
"1367796"	507.187224	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H-2H2O"	-35.012676
"1383105"	525.1972	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H-H2O"	-17.0027
"282906"	1085.407076	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H"	1.007276
"676670"	1627.606976	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H"	1.007276
"1351548"	543.207176	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H"	1.007276
"126270"	543.207176	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2H"	2.014552
"566063"	814.307126	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2H"	2.014552
"1037533"	272.107226	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2H"	2.014552
"205195"	362.473876	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+3H"	3.021828
"647176"	543.207176	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+3H"	3.021828
"1163737"	181.740576	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+3H"	3.021828
"438452"	1102.433623	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+NH4"	18.033823
"799811"	1644.633523	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+NH4"	18.033823
"1695421"	560.233723	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+NH4"	18.033823
"341145"	551.7204495	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H+NH4"	19.041099
"734661"	822.8203995	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H+NH4"	19.041099
"1484470"	280.6204995	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+NH4"	19.041099
"403154"	1107.389018	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Na"	22.989218
"760872"	1649.588918	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+Na"	22.989218
"1612249"	565.189118	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na"	22.989218
"321191"	554.198147	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H+Na"	23.996494
"709241"	825.298097	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H+Na"	23.996494
"1463423"	283.098197	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+Na"	23.996494
"1055574"	189.06789	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2H+Na"	25.00377
"1259445"	575.233386	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+CH3OH+H"	33.033486
"379841"	1123.362958	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+K"	38.963158
"739254"	1665.562858	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+K"	38.963158
"1540131"	581.163058	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K"	38.963158
"299213"	562.185117	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H+K"	39.970434
"692488"	833.285067	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H+K"	39.970434
"1445944"	291.085167	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+K"	39.970434
"238922"	1126.433626	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+ACN+H"	42.033826
"1213453"	584.233726	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+ACN+H"	42.033826
"1195146"	292.620501	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+ACN+2H"	43.041102
"192392"	1129.37096	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2Na-H"	44.97116
"633777"	1671.57086	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2Na-H"	44.97116
"1139473"	587.17106	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2Na-H"	44.97116
"182768"	565.189118	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2Na"	45.978436
"616860"	836.289068	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2Na"	45.978436
"1120366"	294.089168	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2Na"	45.978436
"1404981"	196.395204	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+2Na"	46.985712
"1440380"	589.212646	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+HCOOH"	47.012746
"227892"	570.22214	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+3H2O+2H"	56.04448
"1518139"	603.26469	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+IsoProp+H"	61.06479
"418918"	573.176088	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Na+K"	61.952376
"778819"	844.276038	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+Na+K"	61.952376
"1671869"	302.076138	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na+K"	61.952376
"257295"	1148.415568	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+ACN+Na"	64.015768
"1232557"	606.215668	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+ACN+Na"	64.015768
"1721079"	606.239193	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+NH4+HCOOH"	64.039293
"1184609"	203.722518	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+3Na"	68.967654
"1654142"	611.194588	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na+HCOOH"	68.994688
"159181"	1161.31884	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2K-H"	76.91904
"599105"	1703.51874	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2K-H"	76.91904
"1085803"	619.11894	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2K-H"	76.91904
"144087"	581.163058	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2K"	77.926316
"590213"	852.263008	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2K"	77.926316
"1080195"	310.063108	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2K"	77.926316
"1109757"	621.133492	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2K+H"	78.933592
"1351207"	621.221107	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+DMSO+H"	79.021207
"1020880"	625.260276	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2ACN+H"	83.060376
"1535351"	626.253908	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+IsoProp+Na+H"	84.054008
"997423"	313.133776	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2ACN+2H"	84.067652
"1598488"	627.168528	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K+HCOOH"	84.968628
"1425239"	657.200038	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+CF3COOH"	115.000138
"1151152"	333.647051	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+3ACN+2H"	125.094202
"1701068"	674.226585	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+NH4+CF3COOH"	132.026685
"1635989"	679.18198	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na+CF3COOH"	136.98208
"1579661"	695.15592	"C11646"	"Deoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K+CF3COOH"	152.95602
"810025"	528.1843	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M"	0
"988661"	509.16591	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-H2O-H"	-19.01839
"69612"	351.115590666667	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M-3H"	-3.021828
"510266"	527.177024	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M-3H"	-3.021828
"883692"	175.054157333333	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-3H"	-3.021828
"6640"	527.177024	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M-2H"	-2.014552
"445107"	791.269174	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M-2H"	-2.014552
"824001"	263.084874	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-2H"	-2.014552
"86188"	1055.361324	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M-H"	-1.007276
"527934"	1583.545624	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M-H"	-1.007276
"901364"	527.177024	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-H"	-1.007276
"47390"	1072.387871	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M-2H+NH4"	16.019271
"487884"	1600.572171	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M-2H+NH4"	16.019271
"865564"	544.203571	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-2H+NH4"	16.019271
"31556"	1077.343266	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M-2H+Na"	20.974666
"471433"	1605.527566	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M-2H+Na"	20.974666
"848922"	549.158966	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-2H+Na"	20.974666
"1625706"	549.158966	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Na-2H"	20.974666
"94364"	545.165363	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M-H+Cl"	33.962126
"534436"	809.257513	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M-H+Cl"	33.962126
"927135"	281.073213	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-H+Cl"	33.962126
"267671"	1091.338002	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+Cl"	34.969402
"660253"	1619.522302	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+Cl"	34.969402
"1273016"	563.153702	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Cl"	34.969402
"16019"	1093.317206	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M-2H+K"	36.948606
"457898"	1621.501506	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M-2H+K"	36.948606
"833553"	565.132906	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-2H+K"	36.948606
"1556028"	565.132906	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+K-2H"	36.948606
"946711"	573.182494	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-H+HCOOH"	44.998194
"364927"	1101.366801	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+HCOOH-H"	44.998201
"347473"	1115.382451	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+Hac-H"	59.013851
"1492814"	587.198151	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Hac-H"	59.013851
"962998"	595.164451	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-H+NaCOOH"	66.980151
"115187"	563.153702	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+2Cl"	69.938804
"551834"	827.245852	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+2Cl"	69.938804
"1029023"	299.061552	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2Cl"	69.938804
"1247507"	607.103185	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Br"	78.918885
"1307765"	609.159172	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Cl+HCOOH"	80.974872
"1323074"	631.141129	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Cl+NaCOOH"	102.956829
"914132"	641.169886	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M-H+CF3COOH"	112.985586
"1289747"	677.146564	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Cl+CF3COOH"	148.962264
"1368999"	493.171624	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H-2H2O"	-35.012676
"1383580"	511.1816	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H-H2O"	-17.0027
"283261"	1057.375876	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+H"	1.007276
"676173"	1585.560176	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+H"	1.007276
"1351460"	529.191576	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H"	1.007276
"126172"	529.191576	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+2H"	2.014552
"565768"	793.283726	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+2H"	2.014552
"1037643"	265.099426	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2H"	2.014552
"205549"	353.130142666667	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+3H"	3.021828
"645229"	529.191576	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+3H"	3.021828
"1163725"	177.068709333333	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+3H"	3.021828
"439173"	1074.402423	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+NH4"	18.033823
"800530"	1602.586723	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+NH4"	18.033823
"1693339"	546.218123	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+NH4"	18.033823
"340162"	537.7048495	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+H+NH4"	19.041099
"732947"	801.7969995	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+H+NH4"	19.041099
"1487857"	273.6126995	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H+NH4"	19.041099
"405451"	1079.357818	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+Na"	22.989218
"764263"	1607.542118	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+Na"	22.989218
"1610172"	551.173518	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Na"	22.989218
"322395"	540.182547	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+H+Na"	23.996494
"707649"	804.274697	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+H+Na"	23.996494
"1463170"	276.090397	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H+Na"	23.996494
"1054227"	184.396023333333	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2H+Na"	25.00377
"1260285"	561.217786	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+CH3OH+H"	33.033486
"378858"	1095.331758	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+K"	38.963158
"739975"	1623.516058	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+K"	38.963158
"1539980"	567.147458	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+K"	38.963158
"298644"	548.169517	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+H+K"	39.970434
"691869"	812.261667	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+H+K"	39.970434
"1447147"	284.077367	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H+K"	39.970434
"238668"	1098.402426	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+ACN+H"	42.033826
"1213200"	570.218126	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+ACN+H"	42.033826
"1197444"	285.612701	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+ACN+2H"	43.041102
"190680"	1101.33976	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+2Na-H"	44.97116
"633887"	1629.52406	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+2Na-H"	44.97116
"1136667"	573.15546	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2Na-H"	44.97116
"182878"	551.173518	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+2Na"	45.978436
"618064"	815.265668	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+2Na"	45.978436
"1120476"	287.081368	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2Na"	45.978436
"1403998"	191.723337333333	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H+2Na"	46.985712
"1438303"	575.197046	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H+HCOOH"	47.012746
"230188"	556.20654	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+3H2O+2H"	56.04448
"1518249"	589.24909	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+IsoProp+H"	61.06479
"421215"	559.160488	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+Na+K"	61.952376
"778929"	823.252638	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+Na+K"	61.952376
"1669062"	295.068338	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Na+K"	61.952376
"259591"	1120.384368	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+ACN+Na"	64.015768
"1231206"	592.200068	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+ACN+Na"	64.015768
"1721189"	592.223593	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+NH4+HCOOH"	64.039293
"1184719"	199.050651333333	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+3Na"	68.967654
"1659721"	597.178988	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Na+HCOOH"	68.994688
"159656"	1133.28764	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+2K-H"	76.91904
"598851"	1661.47194	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+2K-H"	76.91904
"1085549"	605.10334	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2K-H"	76.91904
"144197"	567.147458	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"2M+2K"	77.926316
"590320"	831.239608	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"3M+2K"	77.926316
"1081398"	303.055308	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2K"	77.926316
"1111323"	607.117892	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2K+H"	78.933592
"1351006"	607.205507	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+DMSO+H"	79.021207
"1020746"	611.244676	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2ACN+H"	83.060376
"1535461"	612.238308	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+IsoProp+Na+H"	84.054008
"1000812"	306.125976	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+2ACN+2H"	84.067652
"1599690"	613.152928	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+K+HCOOH"	84.968628
"1419882"	643.184438	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+H+CF3COOH"	115.000138
"1151262"	326.639251	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+3ACN+2H"	125.094202
"1700814"	660.210985	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+NH4+CF3COOH"	132.026685
"1636099"	665.16638	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+Na+CF3COOH"	136.98208
"1579771"	681.14032	"C11647"	"Deoxyloganic acid tetraacetate"	"C24H32O13"	"528.1843"	"M+K+CF3COOH"	152.95602
"810135"	374.1577	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M"	0
"986948"	355.13931	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-H2O-H"	-19.01839
"66442"	248.431190666667	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M-3H"	-3.021828
"510376"	373.150424	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M-3H"	-3.021828
"884896"	123.711957333333	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-3H"	-3.021828
"11124"	373.150424	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H"	-2.014552
"446310"	560.229274	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H"	-2.014552
"824113"	186.071574	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-2H"	-2.014552
"87393"	747.308124	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M-H"	-1.007276
"528046"	1121.465824	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M-H"	-1.007276
"899287"	373.150424	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-H"	-1.007276
"47501"	764.334671	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H+NH4"	16.019271
"488482"	1138.492371	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H+NH4"	16.019271
"864945"	390.176971	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-2H+NH4"	16.019271
"31641"	769.290066	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H+Na"	20.974666
"471923"	1143.447766	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H+Na"	20.974666
"854097"	395.132366	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-2H+Na"	20.974666
"1625816"	395.132366	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Na-2H"	20.974666
"94564"	391.138763	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M-H+Cl"	33.962126
"534272"	578.217613	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M-H+Cl"	33.962126
"927098"	204.059913	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-H+Cl"	33.962126
"267454"	783.284802	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+Cl"	34.969402
"660688"	1157.442502	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+Cl"	34.969402
"1273329"	409.127102	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl"	34.969402
"16983"	785.264006	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M-2H+K"	36.948606
"459104"	1159.421706	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M-2H+K"	36.948606
"834351"	411.106306	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-2H+K"	36.948606
"1556746"	411.106306	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+K-2H"	36.948606
"946819"	419.155894	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-H+HCOOH"	44.998194
"364670"	793.313601	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+HCOOH-H"	44.998201
"349283"	807.329251	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+Hac-H"	59.013851
"1493010"	433.171551	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Hac-H"	59.013851
"960553"	441.137851	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-H+NaCOOH"	66.980151
"115661"	409.127102	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+2Cl"	69.938804
"551215"	596.205952	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+2Cl"	69.938804
"1028038"	222.048252	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2Cl"	69.938804
"1246523"	453.076585	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Br"	78.918885
"1307875"	455.132572	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl+HCOOH"	80.974872
"1323183"	477.114529	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl+NaCOOH"	102.956829
"914604"	487.143286	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M-H+CF3COOH"	112.985586
"1290951"	523.119964	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Cl+CF3COOH"	148.962264
"1369837"	339.145024	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H-2H2O"	-35.012676
"1385878"	357.155	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H-H2O"	-17.0027
"284105"	749.322676	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+H"	1.007276
"678716"	1123.480376	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+H"	1.007276
"1352141"	375.164976	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H"	1.007276
"126855"	375.164976	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+2H"	2.014552
"565818"	562.243826	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+2H"	2.014552
"1037308"	188.086126	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2H"	2.014552
"204929"	250.445742666667	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+3H"	3.021828
"645096"	375.164976	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+3H"	3.021828
"1163344"	125.726509333333	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+3H"	3.021828
"438431"	766.349223	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+NH4"	18.033823
"799911"	1140.506923	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+NH4"	18.033823
"1693449"	392.191523	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+NH4"	18.033823
"344407"	383.6782495	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+H+NH4"	19.041099
"732693"	570.7570995	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+H+NH4"	19.041099
"1485782"	196.5993995	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H+NH4"	19.041099
"405561"	771.304618	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+Na"	22.989218
"766560"	1145.462318	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+Na"	22.989218
"1614656"	397.146918	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Na"	22.989218
"327610"	386.155947	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+H+Na"	23.996494
"709462"	573.234797	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+H+Na"	23.996494
"1462308"	199.077097	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H+Na"	23.996494
"1054701"	133.053823333333	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2H+Na"	25.00377
"1258573"	407.191186	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+CH3OH+H"	33.033486
"377470"	787.278558	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+K"	38.963158
"738870"	1161.436258	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+K"	38.963158
"1540228"	413.120858	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+K"	38.963158
"299557"	394.142917	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+H+K"	39.970434
"692711"	581.221767	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+H+K"	39.970434
"1447259"	207.064067	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H+K"	39.970434
"238778"	790.349226	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+ACN+H"	42.033826
"1214401"	416.191526	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+ACN+H"	42.033826
"1196461"	208.599401	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+ACN+2H"	43.041102
"194434"	793.28656	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+2Na-H"	44.97116
"636184"	1167.44426	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+2Na-H"	44.97116
"1136413"	419.12886	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2Na-H"	44.97116
"178615"	397.146918	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+2Na"	45.978436
"615622"	584.225768	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+2Na"	45.978436
"1119857"	210.068068	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2Na"	45.978436
"1405202"	140.381137333333	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H+2Na"	46.985712
"1436226"	421.170446	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H+HCOOH"	47.012746
"227015"	402.17994	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+3H2O+2H"	56.04448
"1515443"	435.22249	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+IsoProp+H"	61.06479
"414764"	405.133888	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+Na+K"	61.952376
"777217"	592.212738	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+Na+K"	61.952376
"1668806"	218.055038	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Na+K"	61.952376
"252409"	812.331168	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+ACN+Na"	64.015768
"1230220"	438.173468	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+ACN+Na"	64.015768
"1716919"	438.196993	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+NH4+HCOOH"	64.039293
"1181181"	147.708451333333	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+3Na"	68.967654
"1655456"	443.152388	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Na+HCOOH"	68.994688
"159036"	825.23444	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+2K-H"	76.91904
"597666"	1199.39214	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+2K-H"	76.91904
"1084565"	451.07674	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2K-H"	76.91904
"141789"	413.120858	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"2M+2K"	77.926316
"585326"	600.199708	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"3M+2K"	77.926316
"1081144"	226.042008	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2K"	77.926316
"1110340"	453.091292	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2K+H"	78.933592
"1351300"	453.178907	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+DMSO+H"	79.021207
"1021141"	457.218076	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2ACN+H"	83.060376
"1535571"	458.211708	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+IsoProp+Na+H"	84.054008
"1000922"	229.112676	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+2ACN+2H"	84.067652
"1600529"	459.126328	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+K+HCOOH"	84.968628
"1419992"	489.157838	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+H+CF3COOH"	115.000138
"1151372"	249.625951	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+3ACN+2H"	125.094202
"1700924"	506.184385	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+NH4+CF3COOH"	132.026685
"1636209"	511.13978	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+Na+CF3COOH"	136.98208
"1579881"	527.11372	"C11648"	"8-Epideoxyloganin"	"C17H26O9"	"374.1577"	"M+K+CF3COOH"	152.95602
"810245"	360.142	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M"	0
"989683"	341.12361	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-H2O-H"	-19.01839
"73113"	239.087390666667	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M-3H"	-3.021828
"510486"	359.134724	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M-3H"	-3.021828
"890473"	119.040057333333	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-3H"	-3.021828
"9048"	359.134724	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M-2H"	-2.014552
"449704"	539.205724	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M-2H"	-2.014552
"824226"	179.063724	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-2H"	-2.014552
"91876"	719.276724	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M-H"	-1.007276
"528156"	1079.418724	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M-H"	-1.007276
"903771"	359.134724	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-H"	-1.007276
"48668"	736.303271	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M-2H+NH4"	16.019271
"492238"	1096.445271	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M-2H+NH4"	16.019271
"868946"	376.161271	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-2H+NH4"	16.019271
"32595"	741.258666	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M-2H+Na"	20.974666
"475313"	1101.400666	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M-2H+Na"	20.974666
"856395"	381.116666	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-2H+Na"	20.974666
"1625927"	381.116666	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Na-2H"	20.974666
"95159"	377.123063	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M-H+Cl"	33.962126
"535005"	557.194063	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M-H+Cl"	33.962126
"927996"	197.052063	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-H+Cl"	33.962126
"268129"	755.253402	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+Cl"	34.969402
"660909"	1115.395402	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+Cl"	34.969402
"1273563"	395.111402	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Cl"	34.969402
"16847"	757.232606	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M-2H+K"	36.948606
"459943"	1117.374606	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M-2H+K"	36.948606
"837745"	397.090606	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-2H+K"	36.948606
"1559045"	397.090606	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+K-2H"	36.948606
"947294"	405.140194	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-H+HCOOH"	44.998194
"364052"	765.282201	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+HCOOH-H"	44.998201
"350125"	779.297851	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+Hac-H"	59.013851
"1496037"	419.155851	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Hac-H"	59.013851
"961392"	427.122151	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-H+NaCOOH"	66.980151
"118687"	395.111402	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+2Cl"	69.938804
"554974"	575.182402	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+2Cl"	69.938804
"1030336"	215.040402	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2Cl"	69.938804
"1246633"	439.060885	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Br"	78.918885
"1307620"	441.116872	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Cl+HCOOH"	80.974872
"1323659"	463.098829	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Cl+NaCOOH"	102.956829
"917632"	473.127586	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M-H+CF3COOH"	112.985586
"1292154"	509.104264	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Cl+CF3COOH"	148.962264
"1374688"	325.129324	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H-2H2O"	-35.012676
"1385987"	343.1393	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H-H2O"	-17.0027
"284944"	721.291276	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+H"	1.007276
"679919"	1081.433276	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+H"	1.007276
"1351645"	361.149276	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H"	1.007276
"125872"	361.149276	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+2H"	2.014552
"565917"	541.220276	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+2H"	2.014552
"1037379"	181.078276	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2H"	2.014552
"204918"	241.101942666667	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+3H"	3.021828
"646059"	361.149276	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+3H"	3.021828
"1163941"	121.054609333333	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+3H"	3.021828
"424361"	738.317823	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+NH4"	18.033823
"787376"	1098.459823	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+NH4"	18.033823
"1694655"	378.175823	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+NH4"	18.033823
"344888"	369.6625495	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+H+NH4"	19.041099
"738113"	549.7335495	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+H+NH4"	19.041099
"1485895"	189.5915495	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H+NH4"	19.041099
"406401"	743.273218	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+Na"	22.989218
"767763"	1103.415218	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+Na"	22.989218
"1615860"	383.131218	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Na"	22.989218
"328450"	372.140247	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+H+Na"	23.996494
"708481"	552.211247	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+H+Na"	23.996494
"1467768"	192.069247	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H+Na"	23.996494
"1057732"	128.381923333333	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2H+Na"	25.00377
"1257505"	393.175486	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+CH3OH+H"	33.033486
"378353"	759.247158	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+K"	38.963158
"740077"	1119.389158	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+K"	38.963158
"1541758"	399.105158	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+K"	38.963158
"299904"	380.127217	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+H+K"	39.970434
"691725"	560.198217	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+H+K"	39.970434
"1449922"	200.056217	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H+K"	39.970434
"238523"	762.317826	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+ACN+H"	42.033826
"1213417"	402.175826	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+ACN+H"	42.033826
"1199123"	201.591551	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+ACN+2H"	43.041102
"194180"	765.25516	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+2Na-H"	44.97116
"631918"	1125.39716	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+2Na-H"	44.97116
"1138710"	405.11316	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2Na-H"	44.97116
"173488"	383.131218	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+2Na"	45.978436
"619374"	563.202218	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+2Na"	45.978436
"1129687"	203.060218	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2Na"	45.978436
"1407499"	135.709237333333	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H+2Na"	46.985712
"1435240"	407.154746	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H+HCOOH"	47.012746
"229314"	388.16424	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+3H2O+2H"	56.04448
"1513728"	421.20679	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+IsoProp+H"	61.06479
"419248"	391.118188	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+Na+K"	61.952376
"779150"	571.189188	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+Na+K"	61.952376
"1669647"	211.047188	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Na+K"	61.952376
"258354"	784.299768	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+ACN+Na"	64.015768
"1229239"	424.157768	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+ACN+Na"	64.015768
"1724686"	424.181293	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+NH4+HCOOH"	64.039293
"1185668"	143.036551333333	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+3Na"	68.967654
"1654476"	429.136688	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Na+HCOOH"	68.994688
"161339"	797.20304	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+2K-H"	76.91904
"599806"	1157.34504	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+2K-H"	76.91904
"1089786"	437.06104	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2K-H"	76.91904
"153166"	399.105158	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"2M+2K"	77.926316
"589447"	579.176158	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"3M+2K"	77.926316
"1082712"	219.034158	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2K"	77.926316
"1114219"	439.075592	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2K+H"	78.933592
"1350976"	439.163207	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+DMSO+H"	79.021207
"1021043"	443.202376	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2ACN+H"	83.060376
"1536774"	444.196008	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+IsoProp+Na+H"	84.054008
"1004072"	222.104826	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+2ACN+2H"	84.067652
"1601612"	445.110628	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+K+HCOOH"	84.968628
"1426662"	475.142138	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+H+CF3COOH"	115.000138
"1156949"	242.618101	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+3ACN+2H"	125.094202
"1701034"	492.168685	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+NH4+CF3COOH"	132.026685
"1638871"	497.12408	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+Na+CF3COOH"	136.98208
"1583271"	513.09802	"C11649"	"8-Epideoxyloganic acid"	"C16H24O9"	"360.142"	"M+K+CF3COOH"	152.95602
"813639"	542.1999	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M"	0
"986076"	523.18151	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H2O-H"	-19.01839
"75413"	360.459324	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-3H"	-3.021828
"509504"	541.192624	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-3H"	-3.021828
"885118"	179.726024	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-3H"	-3.021828
"3692"	541.192624	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H"	-2.014552
"442158"	812.292574	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H"	-2.014552
"824332"	270.092674	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H"	-2.014552
"85425"	1083.392524	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-H"	-1.007276
"527171"	1625.592424	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-H"	-1.007276
"903880"	541.192624	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H"	-1.007276
"47923"	1100.419071	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H+NH4"	16.019271
"487969"	1642.618971	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H+NH4"	16.019271
"865165"	558.219171	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H+NH4"	16.019271
"31967"	1105.374466	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H+Na"	20.974666
"471893"	1647.574366	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H+Na"	20.974666
"850306"	563.174566	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H+Na"	20.974666
"1620081"	563.174566	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na-2H"	20.974666
"95274"	559.180963	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-H+Cl"	33.962126
"535320"	830.280913	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-H+Cl"	33.962126
"928342"	288.081013	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+Cl"	33.962126
"267753"	1119.369202	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Cl"	34.969402
"660660"	1661.569102	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+Cl"	34.969402
"1273428"	577.169302	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl"	34.969402
"17199"	1121.348406	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M-2H+K"	36.948606
"464429"	1663.548306	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M-2H+K"	36.948606
"843323"	579.148506	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-2H+K"	36.948606
"1559884"	579.148506	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K-2H"	36.948606
"949229"	587.198094	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+HCOOH"	44.998194
"367443"	1129.398001	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+HCOOH-H"	44.998201
"350234"	1143.413651	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Hac-H"	59.013851
"1497974"	601.213751	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Hac-H"	59.013851
"963327"	609.180051	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+NaCOOH"	66.980151
"114423"	577.169302	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2Cl"	69.938804
"562742"	848.269252	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2Cl"	69.938804
"1030446"	306.069352	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2Cl"	69.938804
"1246743"	621.118785	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Br"	78.918885
"1305909"	623.174772	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl+HCOOH"	80.974872
"1322311"	645.156729	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl+NaCOOH"	102.956829
"915919"	655.185486	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M-H+CF3COOH"	112.985586
"1292628"	691.162164	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Cl+CF3COOH"	148.962264
"1374798"	507.187224	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H-2H2O"	-35.012676
"1387921"	525.1972	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H-H2O"	-17.0027
"284079"	1085.407076	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H"	1.007276
"681122"	1627.606976	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H"	1.007276
"1352361"	543.207176	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H"	1.007276
"126215"	543.207176	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2H"	2.014552
"566994"	814.307126	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2H"	2.014552
"1037369"	272.107226	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2H"	2.014552
"204783"	362.473876	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+3H"	3.021828
"644710"	543.207176	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+3H"	3.021828
"1163038"	181.740576	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+3H"	3.021828
"424785"	1102.433623	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+NH4"	18.033823
"787113"	1644.633523	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+NH4"	18.033823
"1694028"	560.233723	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+NH4"	18.033823
"345481"	551.7204495	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H+NH4"	19.041099
"738268"	822.8203995	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H+NH4"	19.041099
"1492203"	280.6204995	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+NH4"	19.041099
"401403"	1107.389018	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Na"	22.989218
"768243"	1649.588918	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+Na"	22.989218
"1617795"	565.189118	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na"	22.989218
"328320"	554.198147	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H+Na"	23.996494
"720252"	825.298097	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H+Na"	23.996494
"1474435"	283.098197	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+Na"	23.996494
"1056749"	189.06789	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2H+Na"	25.00377
"1264984"	575.233386	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+CH3OH+H"	33.033486
"381379"	1123.362958	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+K"	38.963158
"740551"	1665.562858	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+K"	38.963158
"1541139"	581.163058	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K"	38.963158
"299531"	562.185117	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+H+K"	39.970434
"691835"	833.285067	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+H+K"	39.970434
"1447844"	291.085167	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+K"	39.970434
"237904"	1126.433626	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+ACN+H"	42.033826
"1213163"	584.233726	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+ACN+H"	42.033826
"1197048"	292.620501	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+ACN+2H"	43.041102
"193926"	1129.37096	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2Na-H"	44.97116
"632028"	1671.57086	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2Na-H"	44.97116
"1138820"	587.17106	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2Na-H"	44.97116
"173477"	565.189118	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2Na"	45.978436
"619848"	836.289068	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2Na"	45.978436
"1129919"	294.089168	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2Na"	45.978436
"1411983"	196.395204	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+2Na"	46.985712
"1441910"	589.212646	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+HCOOH"	47.012746
"231610"	570.22214	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+3H2O+2H"	56.04448
"1513474"	603.26469	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+IsoProp+H"	61.06479
"420452"	573.176088	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+Na+K"	61.952376
"775614"	844.276038	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+Na+K"	61.952376
"1672673"	302.076138	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na+K"	61.952376
"261016"	1148.415568	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+ACN+Na"	64.015768
"1231537"	606.215668	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+ACN+Na"	64.015768
"1718235"	606.239193	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+NH4+HCOOH"	64.039293
"1184684"	203.722518	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+3Na"	68.967654
"1654586"	611.194588	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na+HCOOH"	68.994688
"162542"	1161.31884	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2K-H"	76.91904
"599916"	1703.51874	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2K-H"	76.91904
"1086615"	619.11894	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2K-H"	76.91904
"149996"	581.163058	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"2M+2K"	77.926316
"588464"	852.263008	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"3M+2K"	77.926316
"1083794"	310.063108	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2K"	77.926316
"1114086"	621.133492	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2K+H"	78.933592
"1350725"	621.221107	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+DMSO+H"	79.021207
"1020704"	625.260276	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2ACN+H"	83.060376
"1538950"	626.253908	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+IsoProp+Na+H"	84.054008
"1003329"	313.133776	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+2ACN+2H"	84.067652
"1602456"	627.168528	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K+HCOOH"	84.968628
"1426774"	657.200038	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+H+CF3COOH"	115.000138
"1153780"	333.647051	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+3ACN+2H"	125.094202
"1707705"	674.226585	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+NH4+CF3COOH"	132.026685
"1636066"	679.18198	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+Na+CF3COOH"	136.98208
"1572079"	695.15592	"C11650"	"8-Epideoxyloganin tetraacetate"	"C25H34O13"	"542.1999"	"M+K+CF3COOH"	152.95602
"810465"	168.115	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M"	0
"988373"	149.09661	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"76616"	111.069390666667	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"510707"	167.107724	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"885228"	55.0310573333333	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"3802"	167.107724	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"441539"	251.165224	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"821162"	83.050224	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"87722"	335.222724	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"527281"	503.337724	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"900710"	167.107724	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"47912"	352.249271	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"487468"	520.364271	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"864905"	184.134271	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"32932"	357.204666	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"473586"	525.319666	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"851146"	189.089666	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1619340"	189.089666	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"95500"	185.096063	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"534821"	269.153563	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"927724"	101.038563	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"268226"	371.199402	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"660406"	539.314402	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1273050"	203.084402	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"16580"	373.178606	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"458339"	541.293606	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"836870"	205.063606	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1558898"	205.063606	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"947151"	213.113194	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"367553"	381.228201	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"351438"	395.243851	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1498084"	227.128851	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"962343"	235.095151	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"113438"	203.084402	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"562488"	287.141902	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1031649"	119.026902	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1247946"	247.033885	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1306019"	249.089872	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1321204"	271.071829	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"915665"	281.100586	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1291645"	317.077264	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1374908"	133.102324	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1388031"	151.1123	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"286624"	337.237276	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"679045"	505.352276	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1352837"	169.122276	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H"	1.007276
"126819"	169.122276	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"565886"	253.179776	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1037068"	85.064776	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"204365"	113.083942666667	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"644618"	169.122276	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1162865"	57.0456093333333	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"424656"	354.263823	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"785806"	522.378823	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1694138"	186.148823	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"345268"	177.6355495	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"737040"	261.6930495	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1489397"	93.5780495	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"400420"	359.219218	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"769812"	527.334218	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1616082"	191.104218	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"328305"	180.113247	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"720366"	264.170747	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1471265"	96.055747	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1060138"	64.3729233333333	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1264003"	201.148486	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"378449"	375.193158	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"740295"	543.308158	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1540885"	207.078158	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+K"	38.963158
"299888"	188.100217	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"695592"	272.157717	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1449413"	104.042717	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"239837"	378.263826	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1214732"	210.148826	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1197523"	105.578051	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"191120"	381.20116	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"630438"	549.31616	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1138930"	213.08616	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"174315"	191.104218	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"620687"	275.161718	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1123100"	107.046718	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1412093"	71.7002373333333	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1440927"	215.127746	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"233906"	196.13724	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1513220"	229.17979	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"422750"	199.091188	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"779370"	283.148688	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1671690"	115.033688	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"260033"	400.245768	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1231647"	232.130768	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1720531"	232.154293	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1182605"	79.0275513333333	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1653959"	237.109688	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"161913"	413.14904	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"605486"	581.26404	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1085256"	245.03404	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"142318"	207.078158	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"585285"	291.135658	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1083539"	123.020658	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1114439"	247.048592	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1351256"	247.136207	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1020570"	251.175376	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1538939"	252.169008	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1003439"	126.091326	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1602566"	253.083628	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1427977"	283.115138	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1153890"	146.604601	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1707815"	300.141685	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1636905"	305.09708	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1571946"	321.07102	"C11651"	"8-Epiiridodial"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"814950"	344.1471	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M"	0
"989565"	325.12871	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-H2O-H"	-19.01839
"73446"	228.424124	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M-3H"	-3.021828
"509724"	343.139824	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M-3H"	-3.021828
"882058"	113.708424	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-3H"	-3.021828
"1725"	343.139824	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M-2H"	-2.014552
"442739"	515.213374	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M-2H"	-2.014552
"821272"	171.066274	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-2H"	-2.014552
"85645"	687.286924	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M-H"	-1.007276
"525568"	1031.434024	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M-H"	-1.007276
"900090"	343.139824	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-H"	-1.007276
"48027"	704.313471	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M-2H+NH4"	16.019271
"487249"	1048.460571	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M-2H+NH4"	16.019271
"864604"	360.166371	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-2H+NH4"	16.019271
"31776"	709.268866	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M-2H+Na"	20.974666
"471539"	1053.415966	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M-2H+Na"	20.974666
"848825"	365.121766	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-2H+Na"	20.974666
"1620788"	365.121766	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Na-2H"	20.974666
"95856"	361.128163	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M-H+Cl"	33.962126
"534603"	533.201713	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M-H+Cl"	33.962126
"927507"	189.054613	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-H+Cl"	33.962126
"267396"	723.263602	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+Cl"	34.969402
"660311"	1067.410702	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+Cl"	34.969402
"1273158"	379.116502	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Cl"	34.969402
"16161"	725.242806	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M-2H+K"	36.948606
"458813"	1069.389906	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M-2H+K"	36.948606
"832904"	381.095706	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-2H+K"	36.948606
"1558279"	381.095706	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+K-2H"	36.948606
"944346"	389.145294	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-H+HCOOH"	44.998194
"364384"	733.292401	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+HCOOH-H"	44.998201
"348269"	747.308051	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+Hac-H"	59.013851
"1496008"	403.160951	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Hac-H"	59.013851
"961360"	411.127251	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-H+NaCOOH"	66.980151
"112211"	379.116502	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+2Cl"	69.938804
"562962"	551.190052	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+2Cl"	69.938804
"1032852"	207.042952	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2Cl"	69.938804
"1248056"	423.065985	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Br"	78.918885
"1306129"	425.121972	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Cl+HCOOH"	80.974872
"1320101"	447.103929	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Cl+NaCOOH"	102.956829
"915775"	457.132686	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M-H+CF3COOH"	112.985586
"1290662"	493.109364	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Cl+CF3COOH"	148.962264
"1375018"	309.134424	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H-2H2O"	-35.012676
"1388141"	327.1444	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H-H2O"	-17.0027
"288920"	689.301476	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+H"	1.007276
"678062"	1033.448576	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+H"	1.007276
"1352218"	345.154376	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H"	1.007276
"126930"	345.154376	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+2H"	2.014552
"565799"	517.227926	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+2H"	2.014552
"1037306"	173.080826	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2H"	2.014552
"205001"	230.438676	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+3H"	3.021828
"645299"	345.154376	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+3H"	3.021828
"1163786"	115.722976	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+3H"	3.021828
"425617"	706.328023	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+NH4"	18.033823
"785834"	1050.475123	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+NH4"	18.033823
"1694973"	362.180923	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+NH4"	18.033823
"345467"	353.6676495	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+H+NH4"	19.041099
"737837"	525.7411995	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+H+NH4"	19.041099
"1486227"	181.5940995	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H+NH4"	19.041099
"399436"	711.283418	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+Na"	22.989218
"769195"	1055.430518	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+Na"	22.989218
"1617652"	367.136318	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Na"	22.989218
"329146"	356.145347	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+H+Na"	23.996494
"719018"	528.218897	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+H+Na"	23.996494
"1475022"	184.071797	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H+Na"	23.996494
"1060248"	123.05029	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2H+Na"	25.00377
"1267393"	377.180586	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+CH3OH+H"	33.033486
"378559"	727.257358	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+K"	38.963158
"740405"	1071.404458	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+K"	38.963158
"1540997"	383.110258	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+K"	38.963158
"299025"	364.132317	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+H+K"	39.970434
"692420"	536.205867	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+H+K"	39.970434
"1448428"	192.058767	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H+K"	39.970434
"238854"	730.328026	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+ACN+H"	42.033826
"1214843"	386.180926	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+ACN+H"	42.033826
"1198361"	193.594101	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+ACN+2H"	43.041102
"194880"	733.26536	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+2Na-H"	44.97116
"635532"	1077.41246	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+2Na-H"	44.97116
"1139040"	389.11826	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2Na-H"	44.97116
"173939"	367.136318	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+2Na"	45.978436
"620068"	539.209868	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+2Na"	45.978436
"1124303"	195.062768	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2Na"	45.978436
"1410015"	130.377604	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H+2Na"	46.985712
"1438850"	391.159846	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H+HCOOH"	47.012746
"234016"	372.16934	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+3H2O+2H"	56.04448
"1516610"	405.21189	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+IsoProp+H"	61.06479
"417391"	375.123288	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+Na+K"	61.952376
"779480"	547.196838	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+Na+K"	61.952376
"1672530"	203.049738	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Na+K"	61.952376
"261237"	752.309968	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+ACN+Na"	64.015768
"1236134"	408.162868	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+ACN+Na"	64.015768
"1718822"	408.186393	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+NH4+HCOOH"	64.039293
"1181988"	137.704918	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+3Na"	68.967654
"1654069"	413.141788	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Na+HCOOH"	68.994688
"162023"	765.21324	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+2K-H"	76.91904
"607418"	1109.36034	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+2K-H"	76.91904
"1084841"	421.06614	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2K-H"	76.91904
"142793"	383.110258	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"2M+2K"	77.926316
"585394"	555.183808	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"3M+2K"	77.926316
"1083407"	211.036708	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2K"	77.926316
"1114918"	423.080692	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2K+H"	78.933592
"1350571"	423.168307	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+DMSO+H"	79.021207
"1014601"	427.207476	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2ACN+H"	83.060376
"1533820"	428.201108	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+IsoProp+Na+H"	84.054008
"1003549"	214.107376	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+2ACN+2H"	84.067652
"1602191"	429.115728	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+K+HCOOH"	84.968628
"1428087"	459.147238	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+H+CF3COOH"	115.000138
"1154000"	234.620651	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+3ACN+2H"	125.094202
"1704645"	476.173785	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+NH4+CF3COOH"	132.026685
"1640295"	481.12918	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+Na+CF3COOH"	136.98208
"1573028"	497.10312	"C11652"	"8-Epiiridotrial glucoside;Boschnaloside"	"C16H24O8"	"344.1471"	"M+K+CF3COOH"	152.95602
"810685"	344.1471	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M"	0
"985313"	325.12871	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-H2O-H"	-19.01839
"73556"	228.424124	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M-3H"	-3.021828
"509834"	343.139824	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M-3H"	-3.021828
"882168"	113.708424	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-3H"	-3.021828
"1835"	343.139824	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M-2H"	-2.014552
"441757"	515.213374	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M-2H"	-2.014552
"822475"	171.066274	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-2H"	-2.014552
"82475"	687.286924	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M-H"	-1.007276
"525314"	1031.434024	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M-H"	-1.007276
"896555"	343.139824	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-H"	-1.007276
"47895"	704.313471	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M-2H+NH4"	16.019271
"487152"	1048.460571	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M-2H+NH4"	16.019271
"864266"	360.166371	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-2H+NH4"	16.019271
"31505"	709.268866	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M-2H+Na"	20.974666
"471457"	1053.415966	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M-2H+Na"	20.974666
"848618"	365.121766	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-2H+Na"	20.974666
"1620169"	365.121766	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Na-2H"	20.974666
"95237"	361.128163	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M-H+Cl"	33.962126
"534512"	533.201713	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M-H+Cl"	33.962126
"927207"	189.054613	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-H+Cl"	33.962126
"267423"	723.263602	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+Cl"	34.969402
"660046"	1067.410702	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+Cl"	34.969402
"1272838"	379.116502	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Cl"	34.969402
"15732"	725.242806	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M-2H+K"	36.948606
"456370"	1069.389906	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M-2H+K"	36.948606
"832854"	381.095706	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-2H+K"	36.948606
"1557296"	381.095706	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+K-2H"	36.948606
"943108"	389.145294	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-H+HCOOH"	44.998194
"361602"	733.292401	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+HCOOH-H"	44.998201
"346147"	747.308051	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+Hac-H"	59.013851
"1494658"	403.160951	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Hac-H"	59.013851
"958914"	411.127251	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-H+NaCOOH"	66.980151
"111833"	379.116502	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+2Cl"	69.938804
"563071"	551.190052	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+2Cl"	69.938804
"1032962"	207.042952	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2Cl"	69.938804
"1247073"	423.065985	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Br"	78.918885
"1306239"	425.121972	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Cl+HCOOH"	80.974872
"1320455"	447.103929	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Cl+NaCOOH"	102.956829
"913333"	457.132686	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M-H+CF3COOH"	112.985586
"1291501"	493.109364	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Cl+CF3COOH"	148.962264
"1375128"	309.134424	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H-2H2O"	-35.012676
"1389344"	327.1444	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H-H2O"	-17.0027
"289030"	689.301476	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+H"	1.007276
"678172"	1033.448576	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+H"	1.007276
"1352693"	345.154376	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H"	1.007276
"126676"	345.154376	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+2H"	2.014552
"566355"	517.227926	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+2H"	2.014552
"1037699"	173.080826	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2H"	2.014552
"205115"	230.438676	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+3H"	3.021828
"645769"	345.154376	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+3H"	3.021828
"1164987"	115.722976	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+3H"	3.021828
"426820"	706.328023	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+NH4"	18.033823
"787446"	1050.475123	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+NH4"	18.033823
"1682194"	362.180923	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+NH4"	18.033823
"338999"	353.6676495	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+H+NH4"	19.041099
"732516"	525.7411995	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+H+NH4"	19.041099
"1485242"	181.5940995	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H+NH4"	19.041099
"399544"	711.283418	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+Na"	22.989218
"755075"	1055.430518	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+Na"	22.989218
"1615205"	367.136318	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Na"	22.989218
"324148"	356.145347	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+H+Na"	23.996494
"717671"	528.218897	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+H+Na"	23.996494
"1473677"	184.071797	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H+Na"	23.996494
"1057078"	123.05029	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2H+Na"	25.00377
"1262036"	377.180586	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+CH3OH+H"	33.033486
"377165"	727.257358	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+K"	38.963158
"740145"	1071.404458	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+K"	38.963158
"1541105"	383.110258	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+K"	38.963158
"299743"	364.132317	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+H+K"	39.970434
"692894"	536.205867	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+H+K"	39.970434
"1448902"	192.058767	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H+K"	39.970434
"237503"	730.328026	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+ACN+H"	42.033826
"1211671"	386.180926	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+ACN+H"	42.033826
"1195189"	193.594101	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+ACN+2H"	43.041102
"189882"	733.26536	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+2Na-H"	44.97116
"628700"	1077.41246	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+2Na-H"	44.97116
"1131893"	389.11826	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2Na-H"	44.97116
"173684"	367.136318	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+2Na"	45.978436
"613610"	539.209868	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+2Na"	45.978436
"1125506"	195.062768	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2Na"	45.978436
"1399186"	130.377604	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H+2Na"	46.985712
"1438960"	391.159846	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H+HCOOH"	47.012746
"222823"	372.16934	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+3H2O+2H"	56.04448
"1509789"	405.21189	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+IsoProp+H"	61.06479
"417501"	375.123288	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+Na+K"	61.952376
"779590"	547.196838	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+Na+K"	61.952376
"1673733"	203.049738	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Na+K"	61.952376
"261347"	752.309968	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+ACN+Na"	64.015768
"1232964"	408.162868	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+ACN+Na"	64.015768
"1718932"	408.186393	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+NH4+HCOOH"	64.039293
"1181734"	137.704918	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+3Na"	68.967654
"1653815"	413.141788	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Na+HCOOH"	68.994688
"162133"	765.21324	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+2K-H"	76.91904
"604612"	1109.36034	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+2K-H"	76.91904
"1084750"	421.06614	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2K-H"	76.91904
"142052"	383.110258	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"2M+2K"	77.926316
"585504"	555.183808	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"3M+2K"	77.926316
"1083804"	211.036708	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2K"	77.926316
"1115582"	423.080692	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2K+H"	78.933592
"1351117"	423.168307	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+DMSO+H"	79.021207
"1014711"	427.207476	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2ACN+H"	83.060376
"1533930"	428.201108	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+IsoProp+Na+H"	84.054008
"1003659"	214.107376	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+2ACN+2H"	84.067652
"1602507"	429.115728	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+K+HCOOH"	84.968628
"1428197"	459.147238	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+H+CF3COOH"	115.000138
"1154110"	234.620651	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+3ACN+2H"	125.094202
"1704755"	476.173785	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+NH4+CF3COOH"	132.026685
"1639312"	481.12918	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+Na+CF3COOH"	136.98208
"1573867"	497.10312	"C11653"	"Iridotrial glucoside"	"C16H24O8"	"344.1471"	"M+K+CF3COOH"	152.95602
"810795"	358.1264	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M"	0
"986516"	339.10801	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-H2O-H"	-19.01839
"71479"	237.743657333333	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M-3H"	-3.021828
"507757"	357.119124	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M-3H"	-3.021828
"883735"	118.368190666667	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-3H"	-3.021828
"1216"	357.119124	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M-2H"	-2.014552
"442596"	536.182324	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M-2H"	-2.014552
"824772"	178.055924	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-2H"	-2.014552
"82948"	715.245524	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M-H"	-1.007276
"524330"	1073.371924	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M-H"	-1.007276
"902132"	357.119124	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-H"	-1.007276
"47347"	732.272071	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M-2H+NH4"	16.019271
"487472"	1090.398471	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M-2H+NH4"	16.019271
"864624"	374.145671	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-2H+NH4"	16.019271
"32762"	737.227466	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M-2H+Na"	20.974666
"472322"	1095.353866	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M-2H+Na"	20.974666
"849276"	379.101066	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-2H+Na"	20.974666
"1619549"	379.101066	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Na-2H"	20.974666
"94535"	375.107463	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M-H+Cl"	33.962126
"534459"	554.170663	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M-H+Cl"	33.962126
"927685"	196.044263	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-H+Cl"	33.962126
"267581"	751.222202	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+Cl"	34.969402
"660161"	1109.348602	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+Cl"	34.969402
"1272887"	393.095802	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Cl"	34.969402
"16176"	753.201406	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M-2H+K"	36.948606
"456521"	1111.327806	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M-2H+K"	36.948606
"833268"	395.075006	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-2H+K"	36.948606
"1558499"	395.075006	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+K-2H"	36.948606
"944557"	403.124594	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-H+HCOOH"	44.998194
"361719"	761.251001	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+HCOOH-H"	44.998201
"346090"	775.266651	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+Hac-H"	59.013851
"1492790"	417.140251	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Hac-H"	59.013851
"958707"	425.106551	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-H+NaCOOH"	66.980151
"110181"	393.095802	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+2Cl"	69.938804
"564639"	572.159002	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+2Cl"	69.938804
"1033072"	214.032602	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2Cl"	69.938804
"1244996"	437.045285	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Br"	78.918885
"1307438"	439.101272	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Cl+HCOOH"	80.974872
"1322385"	461.083229	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Cl+NaCOOH"	102.956829
"912347"	471.111986	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M-H+CF3COOH"	112.985586
"1292339"	507.088664	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Cl+CF3COOH"	148.962264
"1375238"	323.113724	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H-2H2O"	-35.012676
"1389454"	341.1237	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H-H2O"	-17.0027
"289140"	717.260076	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+H"	1.007276
"678281"	1075.386476	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+H"	1.007276
"1352437"	359.133676	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H"	1.007276
"126786"	359.133676	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+2H"	2.014552
"567439"	538.196876	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+2H"	2.014552
"1037688"	180.070476	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2H"	2.014552
"204496"	239.758209333333	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+3H"	3.021828
"645153"	359.133676	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+3H"	3.021828
"1163399"	120.382742666667	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+3H"	3.021828
"428022"	734.286623	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+NH4"	18.033823
"787312"	1092.413023	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+NH4"	18.033823
"1684251"	376.160223	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+NH4"	18.033823
"339109"	367.6469495	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+H+NH4"	19.041099
"732626"	546.7101495	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+H+NH4"	19.041099
"1485352"	188.5837495	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H+NH4"	19.041099
"398561"	739.242018	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+Na"	22.989218
"755185"	1097.368418	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+Na"	22.989218
"1614222"	381.115618	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Na"	22.989218
"322071"	370.124647	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+H+Na"	23.996494
"719601"	549.187847	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+H+Na"	23.996494
"1471597"	191.061447	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H+Na"	23.996494
"1064840"	127.710056666667	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2H+Na"	25.00377
"1258377"	391.159886	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+CH3OH+H"	33.033486
"378534"	755.215958	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+K"	38.963158
"739160"	1113.342358	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+K"	38.963158
"1540115"	397.089558	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+K"	38.963158
"299728"	378.111617	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+H+K"	39.970434
"692393"	557.174817	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+H+K"	39.970434
"1446094"	199.048417	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H+K"	39.970434
"236189"	758.286626	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+ACN+H"	42.033826
"1210564"	400.160226	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+ACN+H"	42.033826
"1196028"	200.583751	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+ACN+2H"	43.041102
"189990"	761.22396	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+2Na-H"	44.97116
"629167"	1119.35036	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+2Na-H"	44.97116
"1133420"	403.09756	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2Na-H"	44.97116
"173792"	381.115618	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+2Na"	45.978436
"615906"	560.178818	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+2Na"	45.978436
"1124523"	202.052418	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2Na"	45.978436
"1400143"	135.037370666667	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H+2Na"	46.985712
"1435789"	405.139146	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H+HCOOH"	47.012746
"224755"	386.14864	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+3H2O+2H"	56.04448
"1510263"	419.19119	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+IsoProp+H"	61.06479
"412508"	389.102588	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+Na+K"	61.952376
"776420"	568.165788	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+Na+K"	61.952376
"1671656"	210.039388	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Na+K"	61.952376
"257084"	780.268568	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+ACN+Na"	64.015768
"1227242"	422.142168	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+ACN+Na"	64.015768
"1717949"	422.165693	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+NH4+HCOOH"	64.039293
"1178928"	142.364684666667	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+3Na"	68.967654
"1654289"	427.121088	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Na+HCOOH"	68.994688
"162243"	793.17184	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+2K-H"	76.91904
"599619"	1151.29824	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+2K-H"	76.91904
"1084860"	435.04544	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2K-H"	76.91904
"141920"	397.089558	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"2M+2K"	77.926316
"581593"	576.152758	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"3M+2K"	77.926316
"1084178"	218.026358	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2K"	77.926316
"1115572"	437.059992	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2K+H"	78.933592
"1349452"	437.147607	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+DMSO+H"	79.021207
"1011541"	441.186776	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2ACN+H"	83.060376
"1534040"	442.180408	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+IsoProp+Na+H"	84.054008
"1003648"	221.097026	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+2ACN+2H"	84.067652
"1602601"	443.095028	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+K+HCOOH"	84.968628
"1426120"	473.126538	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+H+CF3COOH"	115.000138
"1153126"	241.610301	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+3ACN+2H"	125.094202
"1703771"	490.153085	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+NH4+CF3COOH"	132.026685
"1640515"	495.10848	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+Na+CF3COOH"	136.98208
"1572884"	511.08242	"C11654"	"Tarennoside"	"C16H22O9"	"358.1264"	"M+K+CF3COOH"	152.95602
"810905"	582.1585	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M"	0
"985533"	563.14011	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-H2O-H"	-19.01839
"71589"	387.098390666667	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M-3H"	-3.021828
"506774"	581.151224	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M-3H"	-3.021828
"882388"	193.045557333333	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-3H"	-3.021828
"5336"	581.151224	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M-2H"	-2.014552
"444899"	872.230474	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M-2H"	-2.014552
"821605"	290.071974	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-2H"	-2.014552
"85974"	1163.309724	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M-H"	-1.007276
"526627"	1745.468224	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M-H"	-1.007276
"907711"	581.151224	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-H"	-1.007276
"48352"	1180.336271	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M-2H+NH4"	16.019271
"489616"	1762.494771	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M-2H+NH4"	16.019271
"867418"	598.177771	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-2H+NH4"	16.019271
"34224"	1185.291666	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M-2H+Na"	20.974666
"477067"	1767.450166	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M-2H+Na"	20.974666
"855960"	603.133166	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-2H+Na"	20.974666
"1623306"	603.133166	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Na-2H"	20.974666
"98743"	599.139563	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M-H+Cl"	33.962126
"542676"	890.218813	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M-H+Cl"	33.962126
"930359"	308.060313	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-H+Cl"	33.962126
"272927"	1199.286402	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+Cl"	34.969402
"661460"	1781.444902	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+Cl"	34.969402
"1275202"	617.127902	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Cl"	34.969402
"17512"	1201.265606	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M-2H+K"	36.948606
"456712"	1783.424106	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M-2H+K"	36.948606
"833783"	619.107106	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-2H+K"	36.948606
"1558245"	619.107106	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+K-2H"	36.948606
"945763"	627.156694	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-H+HCOOH"	44.998194
"364707"	1209.315201	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+HCOOH-H"	44.998201
"347133"	1223.330851	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+Hac-H"	59.013851
"1493776"	641.172351	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Hac-H"	59.013851
"959253"	649.138651	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-H+NaCOOH"	66.980151
"110384"	617.127902	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+2Cl"	69.938804
"563656"	908.207152	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+2Cl"	69.938804
"1033182"	326.048652	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2Cl"	69.938804
"1246199"	661.077385	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Br"	78.918885
"1306821"	663.133372	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Cl+HCOOH"	80.974872
"1323955"	685.115329	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Cl+NaCOOH"	102.956829
"921574"	695.144086	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M-H+CF3COOH"	112.985586
"1299376"	731.120764	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Cl+CF3COOH"	148.962264
"1380817"	547.145824	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H-2H2O"	-35.012676
"1392847"	565.1558	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H-H2O"	-17.0027
"290345"	1165.324276	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+H"	1.007276
"684954"	1747.482776	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+H"	1.007276
"1358025"	583.165776	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H"	1.007276
"132007"	583.165776	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+2H"	2.014552
"572658"	874.245026	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+2H"	2.014552
"1041456"	292.086526	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2H"	2.014552
"206076"	389.112942666667	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+3H"	3.021828
"644906"	583.165776	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+3H"	3.021828
"1162901"	195.060109333333	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+3H"	3.021828
"425943"	1182.350823	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+NH4"	18.033823
"785713"	1764.509323	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+NH4"	18.033823
"1685455"	600.192323	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+NH4"	18.033823
"340312"	591.6790495	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+H+NH4"	19.041099
"732736"	882.7582995	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+H+NH4"	19.041099
"1486555"	300.5997995	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H+NH4"	19.041099
"401951"	1187.306218	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+Na"	22.989218
"760759"	1769.464718	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+Na"	22.989218
"1612144"	605.147718	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Na"	22.989218
"322181"	594.156747	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+H+Na"	23.996494
"718982"	885.235997	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+H+Na"	23.996494
"1473891"	303.077497	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H+Na"	23.996494
"1062764"	202.387423333333	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2H+Na"	25.00377
"1259338"	615.191986	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+CH3OH+H"	33.033486
"379736"	1203.280158	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+K"	38.963158
"739755"	1785.438658	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+K"	38.963158
"1543150"	621.121658	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+K"	38.963158
"299960"	602.143717	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+H+K"	39.970434
"692381"	893.222967	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+H+K"	39.970434
"1446688"	311.064467	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H+K"	39.970434
"236627"	1206.350826	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+ACN+H"	42.033826
"1211035"	624.192326	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+ACN+H"	42.033826
"1195893"	312.599801	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+ACN+2H"	43.041102
"190828"	1209.28816	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+2Na-H"	44.97116
"628676"	1791.44666	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+2Na-H"	44.97116
"1132677"	627.12966	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2Na-H"	44.97116
"174266"	605.147718	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+2Na"	45.978436
"616017"	896.226968	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+2Na"	45.978436
"1122810"	314.068468	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2Na"	45.978436
"1401957"	209.714737333333	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H+2Na"	46.985712
"1435899"	629.171246	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H+HCOOH"	47.012746
"223410"	610.18074	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+3H2O+2H"	56.04448
"1511102"	643.22329	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+IsoProp+H"	61.06479
"411887"	613.134688	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+Na+K"	61.952376
"775437"	904.213938	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+Na+K"	61.952376
"1675049"	322.055438	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Na+K"	61.952376
"256830"	1228.332768	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+ACN+Na"	64.015768
"1226500"	646.174268	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+ACN+Na"	64.015768
"1717696"	646.197793	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+NH4+HCOOH"	64.039293
"1182319"	217.042051333333	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+3Na"	68.967654
"1652211"	651.153188	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Na+HCOOH"	68.994688
"158344"	1241.23604	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+2K-H"	76.91904
"598387"	1823.39454	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+2K-H"	76.91904
"1085813"	659.07754	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2K-H"	76.91904
"142750"	621.121658	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"2M+2K"	77.926316
"582685"	912.200908	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"3M+2K"	77.926316
"1073522"	330.042408	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2K"	77.926316
"1115126"	661.092092	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2K+H"	78.933592
"1348590"	661.179707	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+DMSO+H"	79.021207
"1011651"	665.218876	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2ACN+H"	83.060376
"1534150"	666.212508	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+IsoProp+Na+H"	84.054008
"1003758"	333.113076	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+2ACN+2H"	84.067652
"1601664"	667.127128	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+K+HCOOH"	84.968628
"1428416"	697.158638	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+H+CF3COOH"	115.000138
"1153236"	353.626351	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+3ACN+2H"	125.094202
"1702787"	714.185185	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+NH4+CF3COOH"	132.026685
"1640625"	719.14058	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+Na+CF3COOH"	136.98208
"1572994"	735.11452	"C11655"	"Asperuloside tetraacetate"	"C26H30O15"	"582.1585"	"M+K+CF3COOH"	152.95602
"812108"	330.1679	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M"	0
"985643"	311.14951	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-H2O-H"	-19.01839
"70605"	219.104657333333	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M-3H"	-3.021828
"504696"	329.160624	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M-3H"	-3.021828
"883225"	109.048690666667	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-3H"	-3.021828
"5446"	329.160624	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H"	-2.014552
"448286"	494.244574	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H"	-2.014552
"823902"	164.076674	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H"	-2.014552
"84991"	659.328524	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M-H"	-1.007276
"527830"	989.496424	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M-H"	-1.007276
"907820"	329.160624	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-H"	-1.007276
"48221"	676.355071	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H+NH4"	16.019271
"489118"	1006.522971	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H+NH4"	16.019271
"866435"	346.187171	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H+NH4"	16.019271
"35428"	681.310466	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H+Na"	20.974666
"480457"	1011.478366	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H+Na"	20.974666
"854977"	351.142566	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H+Na"	20.974666
"1623416"	351.142566	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na-2H"	20.974666
"98853"	347.148963	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M-H+Cl"	33.962126
"538413"	512.232913	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M-H+Cl"	33.962126
"929376"	182.065013	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+Cl"	33.962126
"272673"	695.305202	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Cl"	34.969402
"666552"	1025.473102	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+Cl"	34.969402
"1275676"	365.137302	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl"	34.969402
"20055"	697.284406	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H+K"	36.948606
"457794"	1027.452306	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H+K"	36.948606
"833893"	367.116506	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H+K"	36.948606
"1556534"	367.116506	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+K-2H"	36.948606
"943688"	375.166094	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+HCOOH"	44.998194
"362266"	705.334001	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+HCOOH-H"	44.998201
"346879"	719.349651	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Hac-H"	59.013851
"1494250"	389.181751	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Hac-H"	59.013851
"959364"	397.148051	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+NaCOOH"	66.980151
"110251"	365.137302	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2Cl"	69.938804
"561212"	530.221252	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2Cl"	69.938804
"1026730"	200.053352	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2Cl"	69.938804
"1243390"	409.086785	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Br"	78.918885
"1304379"	411.142772	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl+HCOOH"	80.974872
"1319988"	433.124729	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl+NaCOOH"	102.956829
"911510"	443.153486	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+CF3COOH"	112.985586
"1296206"	479.130164	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl+CF3COOH"	148.962264
"1367235"	295.155224	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H-2H2O"	-35.012676
"1387488"	313.1652	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H-H2O"	-17.0027
"287174"	661.343076	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H"	1.007276
"679596"	991.510976	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H"	1.007276
"1359226"	331.175176	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H"	1.007276
"131022"	331.175176	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2H"	2.014552
"570580"	496.259126	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2H"	2.014552
"1037676"	166.091226	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2H"	2.014552
"204603"	221.119209333333	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+3H"	3.021828
"644337"	331.175176	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+3H"	3.021828
"1163169"	111.063242666667	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+3H"	3.021828
"424350"	678.369623	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+NH4"	18.033823
"785897"	1008.537523	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+NH4"	18.033823
"1682285"	348.201723	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+NH4"	18.033823
"338226"	339.6884495	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H+NH4"	19.041099
"735750"	504.7723995	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H+NH4"	19.041099
"1488851"	174.6044995	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+NH4"	19.041099
"400968"	683.325018	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Na"	22.989218
"760868"	1013.492918	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+Na"	22.989218
"1613347"	353.157118	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na"	22.989218
"322291"	342.166147	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H+Na"	23.996494
"720549"	507.250097	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H+Na"	23.996494
"1474730"	177.082197	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+Na"	23.996494
"1062874"	118.390556666667	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2H+Na"	25.00377
"1258354"	363.201386	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+CH3OH+H"	33.033486
"378753"	699.298958	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+K"	38.963158
"740839"	1029.466858	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+K"	38.963158
"1542896"	369.131058	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+K"	38.963158
"299464"	350.153117	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H+K"	39.970434
"693588"	515.237067	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H+K"	39.970434
"1446436"	185.069167	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+K"	39.970434
"237466"	702.369626	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+ACN+H"	42.033826
"1211995"	372.201726	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+ACN+H"	42.033826
"1198434"	186.604501	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+ACN+2H"	43.041102
"191668"	705.30696	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2Na-H"	44.97116
"629400"	1035.47486	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2Na-H"	44.97116
"1133275"	375.13906	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2Na-H"	44.97116
"174133"	353.157118	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2Na"	45.978436
"616855"	518.241068	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2Na"	45.978436
"1124743"	188.073168	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2Na"	45.978436
"1402068"	125.717870666667	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+2Na"	46.985712
"1437466"	377.180646	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+HCOOH"	47.012746
"224975"	358.19014	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+3H2O+2H"	56.04448
"1509390"	391.23269	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+IsoProp+H"	61.06479
"414548"	361.144088	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Na+K"	61.952376
"778826"	526.228038	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+Na+K"	61.952376
"1676252"	196.060138	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na+K"	61.952376
"258397"	724.351568	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+ACN+Na"	64.015768
"1227824"	394.183668	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+ACN+Na"	64.015768
"1716347"	394.207193	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+NH4+HCOOH"	64.039293
"1182793"	133.045184666667	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+3Na"	68.967654
"1653413"	399.162588	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na+HCOOH"	68.994688
"158936"	737.25484	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2K-H"	76.91904
"599469"	1067.42274	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2K-H"	76.91904
"1084828"	407.08694	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2K-H"	76.91904
"142132"	369.131058	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2K"	77.926316
"582181"	534.215008	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2K"	77.926316
"1075818"	204.047108	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2K"	77.926316
"1114868"	409.101492	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2K+H"	78.933592
"1349672"	409.189107	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+DMSO+H"	79.021207
"1011761"	413.228276	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2ACN+H"	83.060376
"1530980"	414.221908	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+IsoProp+Na+H"	84.054008
"1001803"	207.117776	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+2ACN+2H"	84.067652
"1602141"	415.136528	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+K+HCOOH"	84.968628
"1428162"	445.168038	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+CF3COOH"	115.000138
"1153346"	227.631051	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+3ACN+2H"	125.094202
"1703990"	462.194585	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+NH4+CF3COOH"	132.026685
"1640735"	467.14998	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na+CF3COOH"	136.98208
"1573104"	483.12392	"C11656"	"8-Epiiridodial glucoside"	"C16H26O7"	"330.1679"	"M+K+CF3COOH"	152.95602
"811125"	498.2101	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M"	0
"985753"	479.19171	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H2O-H"	-19.01839
"70715"	331.132790666667	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-3H"	-3.021828
"505900"	497.202824	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-3H"	-3.021828
"885887"	165.062757333333	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-3H"	-3.021828
"5556"	497.202824	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H"	-2.014552
"447303"	746.307874	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H"	-2.014552
"824013"	248.097774	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H"	-2.014552
"85101"	995.412924	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-H"	-1.007276
"526847"	1493.623024	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-H"	-1.007276
"907930"	497.202824	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H"	-1.007276
"49547"	1012.439471	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H+NH4"	16.019271
"487445"	1510.649571	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H+NH4"	16.019271
"865815"	514.229371	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H+NH4"	16.019271
"41005"	1017.394866	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H+Na"	20.974666
"481662"	1515.604966	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H+Na"	20.974666
"857274"	519.184766	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H+Na"	20.974666
"1621340"	519.184766	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na-2H"	20.974666
"97870"	515.191163	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-H+Cl"	33.962126
"538523"	764.296213	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-H+Cl"	33.962126
"929122"	266.086113	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+Cl"	33.962126
"271690"	1031.389602	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Cl"	34.969402
"665569"	1529.599702	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+Cl"	34.969402
"1276881"	533.179502	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl"	34.969402
"22352"	1033.368806	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H+K"	36.948606
"457542"	1531.578906	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H+K"	36.948606
"833885"	535.158706	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H+K"	36.948606
"1555956"	535.158706	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K-2H"	36.948606
"943228"	543.208294	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+HCOOH"	44.998194
"361890"	1041.418401	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+HCOOH-H"	44.998201
"346381"	1055.434051	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Hac-H"	59.013851
"1493510"	557.223951	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Hac-H"	59.013851
"963003"	565.190251	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+NaCOOH"	66.980151
"110086"	533.179502	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2Cl"	69.938804
"561322"	782.284552	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2Cl"	69.938804
"1027933"	284.074452	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2Cl"	69.938804
"1243500"	577.128985	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Br"	78.918885
"1304320"	579.184972	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl+HCOOH"	80.974872
"1320278"	601.166929	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl+NaCOOH"	102.956829
"911699"	611.195686	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+CF3COOH"	112.985586
"1289753"	647.172364	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl+CF3COOH"	148.962264
"1367259"	463.197424	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H-2H2O"	-35.012676
"1384318"	481.2074	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H-H2O"	-17.0027
"284002"	997.427476	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H"	1.007276
"676424"	1495.637576	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H"	1.007276
"1351720"	499.217376	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H"	1.007276
"128944"	499.217376	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2H"	2.014552
"569597"	748.322426	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2H"	2.014552
"1038395"	250.112326	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2H"	2.014552
"204423"	333.147342666667	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+3H"	3.021828
"644871"	499.217376	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+3H"	3.021828
"1162918"	167.077309333333	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+3H"	3.021828
"424409"	1014.454023	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+NH4"	18.033823
"785810"	1512.664123	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+NH4"	18.033823
"1681663"	516.243923	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+NH4"	18.033823
"340522"	507.7306495	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H+NH4"	19.041099
"735132"	756.8356995	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H+NH4"	19.041099
"1482398"	258.6255995	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+NH4"	19.041099
"398891"	1019.409418	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Na"	22.989218
"756606"	1517.619518	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+Na"	22.989218
"1607988"	521.199318	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na"	22.989218
"318026"	510.208347	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H+Na"	23.996494
"720658"	759.313397	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H+Na"	23.996494
"1468643"	261.103297	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+Na"	23.996494
"1064077"	174.404623333333	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2H+Na"	25.00377
"1258464"	531.243586	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+CH3OH+H"	33.033486
"379227"	1035.383358	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+K"	38.963158
"739285"	1533.593458	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+K"	38.963158
"1543006"	537.173258	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K"	38.963158
"303463"	518.195317	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H+K"	39.970434
"691870"	767.300367	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H+K"	39.970434
"1447518"	269.090267	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+K"	39.970434
"236237"	1038.454026	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+ACN+H"	42.033826
"1212104"	540.243926	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+ACN+H"	42.033826
"1195869"	270.625601	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+ACN+2H"	43.041102
"191415"	1041.39136	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2Na-H"	44.97116
"629265"	1539.60146	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2Na-H"	44.97116
"1134842"	543.18126	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2Na-H"	44.97116
"173349"	521.199318	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2Na"	45.978436
"616601"	770.304368	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2Na"	45.978436
"1121571"	272.094268	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2Na"	45.978436
"1400355"	181.731937333333	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+2Na"	46.985712
"1437212"	545.222846	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+HCOOH"	47.012746
"225085"	526.23234	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+3H2O+2H"	56.04448
"1509136"	559.27489	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+IsoProp+H"	61.06479
"413565"	529.186288	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Na+K"	61.952376
"777840"	778.291338	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+Na+K"	61.952376
"1675265"	280.081238	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na+K"	61.952376
"258507"	1060.435968	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+ACN+Na"	64.015768
"1228665"	562.225868	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+ACN+Na"	64.015768
"1715361"	562.249393	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+NH4+HCOOH"	64.039293
"1181443"	189.059251333333	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+3Na"	68.967654
"1653522"	567.204788	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na+HCOOH"	68.994688
"159654"	1073.33924	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2K-H"	76.91904
"598242"	1571.54934	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2K-H"	76.91904
"1084365"	575.12914	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2K-H"	76.91904
"141508"	537.173258	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2K"	77.926316
"581806"	786.278308	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2K"	77.926316
"1075928"	288.068208	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2K"	77.926316
"1114977"	577.143692	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2K+H"	78.933592
"1349539"	577.231307	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+DMSO+H"	79.021207
"1010778"	581.270476	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2ACN+H"	83.060376
"1535464"	582.264108	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+IsoProp+Na+H"	84.054008
"999726"	291.138876	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2ACN+2H"	84.067652
"1602249"	583.178728	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K+HCOOH"	84.968628
"1427909"	613.210238	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+CF3COOH"	115.000138
"1155643"	311.652151	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+3ACN+2H"	125.094202
"1704100"	630.236785	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+NH4+CF3COOH"	132.026685
"1640845"	635.19218	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na+CF3COOH"	136.98208
"1573214"	651.16612	"C11657"	"Iridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K+CF3COOH"	152.95602
"811235"	498.2101	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M"	0
"985863"	479.19171	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H2O-H"	-19.01839
"70826"	331.132790666667	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-3H"	-3.021828
"507103"	497.202824	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-3H"	-3.021828
"883812"	165.062757333333	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-3H"	-3.021828
"5666"	497.202824	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H"	-2.014552
"449600"	746.307874	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H"	-2.014552
"825216"	248.097774	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H"	-2.014552
"86306"	995.412924	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-H"	-1.007276
"526958"	1493.623024	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-H"	-1.007276
"906947"	497.202824	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H"	-1.007276
"47548"	1012.439471	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H+NH4"	16.019271
"492133"	1510.649571	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H+NH4"	16.019271
"869935"	514.229371	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H+NH4"	16.019271
"37837"	1017.394866	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H+Na"	20.974666
"480677"	1515.604966	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H+Na"	20.974666
"856291"	519.184766	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H+Na"	20.974666
"1622542"	519.184766	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na-2H"	20.974666
"95790"	515.191163	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-H+Cl"	33.962126
"534284"	764.296213	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-H+Cl"	33.962126
"927108"	266.086113	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+Cl"	33.962126
"270707"	1031.389602	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Cl"	34.969402
"664221"	1529.599702	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+Cl"	34.969402
"1279908"	533.179502	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl"	34.969402
"24651"	1033.368806	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M-2H+K"	36.948606
"457653"	1531.578906	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M-2H+K"	36.948606
"838734"	535.158706	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-2H+K"	36.948606
"1556145"	535.158706	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K-2H"	36.948606
"943907"	543.208294	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+HCOOH"	44.998194
"361881"	1041.418401	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+HCOOH-H"	44.998201
"346048"	1055.434051	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Hac-H"	59.013851
"1494108"	557.223951	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Hac-H"	59.013851
"962020"	565.190251	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+NaCOOH"	66.980151
"111044"	533.179502	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2Cl"	69.938804
"562525"	782.284552	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2Cl"	69.938804
"1025857"	284.074452	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2Cl"	69.938804
"1242882"	577.128985	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Br"	78.918885
"1304430"	579.184972	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl+HCOOH"	80.974872
"1319989"	601.166929	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl+NaCOOH"	102.956829
"911524"	611.195686	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M-H+CF3COOH"	112.985586
"1289499"	647.172364	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Cl+CF3COOH"	148.962264
"1367053"	463.197424	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H-2H2O"	-35.012676
"1385522"	481.2074	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H-H2O"	-17.0027
"286301"	997.427476	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H"	1.007276
"679816"	1495.637576	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H"	1.007276
"1351463"	499.217376	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H"	1.007276
"130147"	499.217376	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2H"	2.014552
"570800"	748.322426	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2H"	2.014552
"1037146"	250.112326	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2H"	2.014552
"205796"	333.147342666667	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+3H"	3.021828
"644743"	499.217376	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+3H"	3.021828
"1163846"	167.077309333333	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+3H"	3.021828
"424804"	1014.454023	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+NH4"	18.033823
"786043"	1512.664123	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+NH4"	18.033823
"1682626"	516.243923	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+NH4"	18.033823
"339539"	507.7306495	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H+NH4"	19.041099
"734146"	756.8356995	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H+NH4"	19.041099
"1479953"	258.6255995	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+NH4"	19.041099
"396446"	1019.409418	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Na"	22.989218
"755255"	1517.619518	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+Na"	22.989218
"1609191"	521.199318	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na"	22.989218
"318135"	510.208347	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H+Na"	23.996494
"712745"	759.313397	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H+Na"	23.996494
"1466565"	261.103297	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+Na"	23.996494
"1059812"	174.404623333333	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2H+Na"	25.00377
"1257479"	531.243586	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+CH3OH+H"	33.033486
"377140"	1035.383358	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+K"	38.963158
"738616"	1533.593458	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+K"	38.963158
"1543116"	537.173258	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K"	38.963158
"298709"	518.195317	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+H+K"	39.970434
"691700"	767.300367	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+H+K"	39.970434
"1446534"	269.090267	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+K"	39.970434
"237320"	1038.454026	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+ACN+H"	42.033826
"1211850"	540.243926	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+ACN+H"	42.033826
"1195734"	270.625601	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+ACN+2H"	43.041102
"191523"	1041.39136	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2Na-H"	44.97116
"632175"	1539.60146	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2Na-H"	44.97116
"1134957"	543.18126	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2Na-H"	44.97116
"173499"	521.199318	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2Na"	45.978436
"614522"	770.304368	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2Na"	45.978436
"1119129"	272.094268	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2Na"	45.978436
"1405205"	181.731937333333	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+2Na"	46.985712
"1434770"	545.222846	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+HCOOH"	47.012746
"221061"	526.23234	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+3H2O+2H"	56.04448
"1509974"	559.27489	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+IsoProp+H"	61.06479
"415863"	529.186288	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+Na+K"	61.952376
"780138"	778.291338	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+Na+K"	61.952376
"1671001"	280.081238	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na+K"	61.952376
"255334"	1060.435968	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+ACN+Na"	64.015768
"1230233"	562.225868	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+ACN+Na"	64.015768
"1715471"	562.249393	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+NH4+HCOOH"	64.039293
"1178515"	189.059251333333	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+3Na"	68.967654
"1650145"	567.204788	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na+HCOOH"	68.994688
"157446"	1073.33924	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2K-H"	76.91904
"597413"	1571.54934	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2K-H"	76.91904
"1084271"	575.12914	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2K-H"	76.91904
"142831"	537.173258	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"2M+2K"	77.926316
"581629"	786.278308	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"3M+2K"	77.926316
"1076038"	288.068208	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2K"	77.926316
"1115209"	577.143692	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2K+H"	78.933592
"1350013"	577.231307	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+DMSO+H"	79.021207
"1013074"	581.270476	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2ACN+H"	83.060376
"1533387"	582.264108	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+IsoProp+Na+H"	84.054008
"1000929"	291.138876	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+2ACN+2H"	84.067652
"1600902"	583.178728	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K+HCOOH"	84.968628
"1429113"	613.210238	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+H+CF3COOH"	115.000138
"1157941"	311.652151	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+3ACN+2H"	125.094202
"1705304"	630.236785	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+NH4+CF3COOH"	132.026685
"1640955"	635.19218	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+Na+CF3COOH"	136.98208
"1572231"	651.16612	"C11658"	"8-Epiiridodial glucoside tetraacetate"	"C24H34O11"	"498.2101"	"M+K+CF3COOH"	152.95602
"811345"	406.1475	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M"	0
"981598"	387.12911	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-H2O-H"	-19.01839
"70934"	269.757724	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M-3H"	-3.021828
"511586"	405.140224	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M-3H"	-3.021828
"888294"	134.375224	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-3H"	-3.021828
"9055"	405.140224	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M-2H"	-2.014552
"448616"	608.213974	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M-2H"	-2.014552
"824230"	202.066474	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-2H"	-2.014552
"87509"	811.287724	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M-H"	-1.007276
"527068"	1217.435224	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M-H"	-1.007276
"907056"	405.140224	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-H"	-1.007276
"52683"	828.314271	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M-2H+NH4"	16.019271
"494432"	1234.461771	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M-2H+NH4"	16.019271
"873327"	422.166771	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-2H+NH4"	16.019271
"40134"	833.269666	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M-2H+Na"	20.974666
"480787"	1239.417166	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M-2H+Na"	20.974666
"858588"	427.122166	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-2H+Na"	20.974666
"1620466"	427.122166	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Na-2H"	20.974666
"94804"	423.128563	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M-H+Cl"	33.962126
"534680"	626.202313	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M-H+Cl"	33.962126
"927392"	220.054813	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-H+Cl"	33.962126
"269724"	847.264402	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+Cl"	34.969402
"663603"	1253.411902	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+Cl"	34.969402
"1282205"	441.116902	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Cl"	34.969402
"25854"	849.243606	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M-2H+K"	36.948606
"459950"	1255.391106	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M-2H+K"	36.948606
"837751"	443.096106	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-2H+K"	36.948606
"1556867"	443.096106	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+K-2H"	36.948606
"945841"	451.145694	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-H+HCOOH"	44.998194
"363327"	857.293201	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+HCOOH-H"	44.998201
"347212"	871.308851	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+Hac-H"	59.013851
"1494949"	465.161351	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Hac-H"	59.013851
"959573"	473.127651	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-H+NaCOOH"	66.980151
"112126"	441.116902	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+2Cl"	69.938804
"563728"	644.190652	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+2Cl"	69.938804
"1025967"	238.043152	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2Cl"	69.938804
"1244450"	485.066385	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Br"	78.918885
"1305437"	487.122372	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Cl+HCOOH"	80.974872
"1320746"	509.104329	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Cl+NaCOOH"	102.956829
"912287"	519.133086	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M-H+CF3COOH"	112.985586
"1289974"	555.109764	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Cl+CF3COOH"	148.962264
"1368499"	371.134824	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H-2H2O"	-35.012676
"1383925"	389.1448	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H-H2O"	-17.0027
"287504"	813.302276	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+H"	1.007276
"679926"	1219.449776	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+H"	1.007276
"1351779"	407.154776	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H"	1.007276
"131351"	407.154776	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+2H"	2.014552
"569816"	610.228526	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+2H"	2.014552
"1037519"	204.081026	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2H"	2.014552
"205415"	271.772276	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+3H"	3.021828
"644974"	407.154776	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+3H"	3.021828
"1163593"	136.389776	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+3H"	3.021828
"424425"	830.328823	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+NH4"	18.033823
"785786"	1236.476323	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+NH4"	18.033823
"1682007"	424.181323	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+NH4"	18.033823
"340742"	415.6680495	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+H+NH4"	19.041099
"733163"	618.7417995	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+H+NH4"	19.041099
"1482615"	212.5942995	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H+NH4"	19.041099
"395464"	835.284218	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+Na"	22.989218
"755733"	1241.431718	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+Na"	22.989218
"1611487"	429.136718	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Na"	22.989218
"318245"	418.145747	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+H+Na"	23.996494
"715041"	621.219497	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+H+Na"	23.996494
"1468861"	215.071997	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H+Na"	23.996494
"1057006"	143.71709	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2H+Na"	25.00377
"1257224"	439.180986	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+CH3OH+H"	33.033486
"377496"	851.258158	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+K"	38.963158
"738859"	1257.405658	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+K"	38.963158
"1540428"	445.110658	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+K"	38.963158
"298699"	426.132717	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+H+K"	39.970434
"691970"	629.206467	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+H+K"	39.970434
"1446641"	223.058967	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H+K"	39.970434
"235970"	854.328826	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+ACN+H"	42.033826
"1210250"	448.181326	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+ACN+H"	42.033826
"1195114"	224.594301	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+ACN+2H"	43.041102
"188749"	857.26616	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+2Na-H"	44.97116
"628547"	1263.41366	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+2Na-H"	44.97116
"1135062"	451.11866	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2Na-H"	44.97116
"172851"	429.136718	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+2Na"	45.978436
"614267"	632.210468	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+2Na"	45.978436
"1118143"	226.062968	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2Na"	45.978436
"1402763"	151.044404	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H+2Na"	46.985712
"1436339"	453.160246	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H+HCOOH"	47.012746
"222751"	434.16974	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+3H2O+2H"	56.04448
"1511542"	467.21229	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+IsoProp+H"	61.06479
"417066"	437.123688	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+Na+K"	61.952376
"783165"	640.197438	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+Na+K"	61.952376
"1673299"	234.049938	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Na+K"	61.952376
"256540"	876.310768	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+ACN+Na"	64.015768
"1232527"	470.163268	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+ACN+Na"	64.015768
"1716313"	470.186793	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+NH4+HCOOH"	64.039293
"1180935"	158.371718	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+3Na"	68.967654
"1651555"	475.142188	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Na+HCOOH"	68.994688
"157687"	889.21404	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+2K-H"	76.91904
"597976"	1295.36154	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+2K-H"	76.91904
"1084208"	483.06654	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2K-H"	76.91904
"141445"	445.110658	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"2M+2K"	77.926316
"581903"	648.184408	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"3M+2K"	77.926316
"1072868"	242.036908	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2K"	77.926316
"1112645"	485.081092	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2K+H"	78.933592
"1347937"	485.168707	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+DMSO+H"	79.021207
"1014276"	489.207876	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2ACN+H"	83.060376
"1534590"	490.201508	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+IsoProp+Na+H"	84.054008
"1002132"	245.107576	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+2ACN+2H"	84.067652
"1601011"	491.116128	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+K+HCOOH"	84.968628
"1425577"	521.147638	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+H+CF3COOH"	115.000138
"1158051"	265.620851	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+3ACN+2H"	125.094202
"1705414"	538.174185	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+NH4+CF3COOH"	132.026685
"1639972"	543.12958	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+Na+CF3COOH"	136.98208
"1572705"	559.10352	"C11659"	"10-Hydroxyloganin"	"C17H26O11"	"406.1475"	"M+K+CF3COOH"	152.95602
"811455"	422.1424	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M"	0
"978428"	403.12401	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-H2O-H"	-19.01839
"68858"	280.420990666667	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M-3H"	-3.021828
"508416"	421.135124	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M-3H"	-3.021828
"885124"	139.706857333333	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-3H"	-3.021828
"6979"	421.135124	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M-2H"	-2.014552
"443260"	632.206324	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M-2H"	-2.014552
"823247"	210.063924	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-2H"	-2.014552
"86525"	843.277524	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M-H"	-1.007276
"527178"	1265.419924	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M-H"	-1.007276
"906073"	421.135124	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-H"	-1.007276
"50608"	860.304071	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M-2H+NH4"	16.019271
"494541"	1282.446471	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M-2H+NH4"	16.019271
"872343"	438.161671	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-2H+NH4"	16.019271
"40244"	865.259466	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M-2H+Na"	20.974666
"479804"	1287.401866	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M-2H+Na"	20.974666
"857605"	443.117066	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-2H+Na"	20.974666
"1620576"	443.117066	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Na-2H"	20.974666
"97104"	439.123463	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M-H+Cl"	33.962126
"534671"	650.194663	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M-H+Cl"	33.962126
"927379"	228.052263	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-H+Cl"	33.962126
"268131"	879.254202	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+Cl"	34.969402
"663348"	1301.396602	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+Cl"	34.969402
"1279034"	457.111802	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Cl"	34.969402
"24870"	881.233406	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M-2H+K"	36.948606
"460060"	1303.375806	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M-2H+K"	36.948606
"835674"	459.091006	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-2H+K"	36.948606
"1556613"	459.091006	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+K-2H"	36.948606
"947044"	467.140594	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-H+HCOOH"	44.998194
"365261"	889.283001	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+HCOOH-H"	44.998201
"350238"	903.298651	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+Hac-H"	59.013851
"1496881"	481.156251	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Hac-H"	59.013851
"962234"	489.122551	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-H+NaCOOH"	66.980151
"112600"	457.111802	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+2Cl"	69.938804
"562745"	668.183002	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+2Cl"	69.938804
"1026077"	246.040602	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2Cl"	69.938804
"1243831"	501.061285	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Br"	78.918885
"1307007"	503.117272	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Cl+HCOOH"	80.974872
"1320128"	525.099229	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Cl+NaCOOH"	102.956829
"911791"	535.127986	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M-H+CF3COOH"	112.985586
"1289355"	571.104664	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Cl+CF3COOH"	148.962264
"1367160"	387.129724	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H-2H2O"	-35.012676
"1383426"	405.1397	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H-H2O"	-17.0027
"287614"	845.292076	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+H"	1.007276
"683316"	1267.434476	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+H"	1.007276
"1352377"	423.149676	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H"	1.007276
"129275"	423.149676	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+2H"	2.014552
"571019"	634.220876	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+2H"	2.014552
"1038725"	212.078476	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2H"	2.014552
"204713"	282.435542666667	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+3H"	3.021828
"644678"	423.149676	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+3H"	3.021828
"1168687"	141.721409333333	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+3H"	3.021828
"425519"	862.318623	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+NH4"	18.033823
"786102"	1284.461023	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+NH4"	18.033823
"1682724"	440.176223	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+NH4"	18.033823
"339759"	431.6629495	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+H+NH4"	19.041099
"726712"	642.7341495	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+H+NH4"	19.041099
"1481626"	220.5917495	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H+NH4"	19.041099
"395939"	867.274018	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+Na"	22.989218
"755964"	1289.416418	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+Na"	22.989218
"1609411"	445.131618	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Na"	22.989218
"319448"	434.140647	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+H+Na"	23.996494
"715151"	645.211847	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+H+Na"	23.996494
"1466784"	223.069447	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H+Na"	23.996494
"1054565"	149.048723333333	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2H+Na"	25.00377
"1258795"	455.175886	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+CH3OH+H"	33.033486
"377734"	883.247958	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+K"	38.963158
"740180"	1305.390358	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+K"	38.963158
"1540781"	461.105558	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+K"	38.963158
"301240"	442.127617	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+H+K"	39.970434
"693297"	653.198817	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+H+K"	39.970434
"1446384"	231.056417	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H+K"	39.970434
"235847"	886.318626	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+ACN+H"	42.033826
"1210366"	464.176226	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+ACN+H"	42.033826
"1194493"	232.591751	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+ACN+2H"	43.041102
"189063"	889.25596	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+2Na-H"	44.97116
"629225"	1311.39836	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+2Na-H"	44.97116
"1133715"	467.11356	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2Na-H"	44.97116
"173190"	445.131618	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+2Na"	45.978436
"614742"	656.202818	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+2Na"	45.978436
"1117889"	234.060418	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2Na"	45.978436
"1402873"	156.376037333333	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H+2Na"	46.985712
"1436449"	469.155146	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H+HCOOH"	47.012746
"221768"	450.16464	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+3H2O+2H"	56.04448
"1511288"	483.20719	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+IsoProp+H"	61.06479
"412802"	453.118588	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+Na+K"	61.952376
"782545"	664.189788	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+Na+K"	61.952376
"1676689"	242.047388	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Na+K"	61.952376
"259929"	908.300568	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+ACN+Na"	64.015768
"1230813"	486.158168	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+ACN+Na"	64.015768
"1714597"	486.181693	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+NH4+HCOOH"	64.039293
"1182138"	163.703351333333	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+3Na"	68.967654
"1651665"	491.137088	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Na+HCOOH"	68.994688
"157905"	921.20384	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+2K-H"	76.91904
"599181"	1343.34624	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+2K-H"	76.91904
"1084776"	499.06144	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2K-H"	76.91904
"142444"	461.105558	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"2M+2K"	77.926316
"581437"	672.176758	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"3M+2K"	77.926316
"1068999"	250.034358	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2K"	77.926316
"1114457"	501.075992	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2K+H"	78.933592
"1349506"	501.163607	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+DMSO+H"	79.021207
"1012201"	505.202776	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2ACN+H"	83.060376
"1533607"	506.196408	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+IsoProp+Na+H"	84.054008
"1000056"	253.105026	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+2ACN+2H"	84.067652
"1600756"	507.111028	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+K+HCOOH"	84.968628
"1425687"	537.142538	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+H+CF3COOH"	115.000138
"1159256"	273.618301	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+3ACN+2H"	125.094202
"1706618"	554.169085	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+NH4+CF3COOH"	132.026685
"1646642"	559.12448	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+Na+CF3COOH"	136.98208
"1575732"	575.09842	"C11660"	"10-Hydroxymorroniside"	"C17H26O12"	"422.1424"	"M+K+CF3COOH"	152.95602
"811565"	376.1369	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M"	0
"980724"	357.11851	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-H2O-H"	-19.01839
"70061"	249.750657333333	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M-3H"	-3.021828
"505246"	375.129624	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M-3H"	-3.021828
"886325"	124.371690666667	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-3H"	-3.021828
"9275"	375.129624	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M-2H"	-2.014552
"442274"	563.198074	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M-2H"	-2.014552
"823356"	187.061174	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-2H"	-2.014552
"83355"	751.266524	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M-H"	-1.007276
"525100"	1127.403424	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M-H"	-1.007276
"905090"	375.129624	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-H"	-1.007276
"56186"	768.293071	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M-2H+NH4"	16.019271
"494652"	1144.429971	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M-2H+NH4"	16.019271
"870267"	392.156171	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-2H+NH4"	16.019271
"40354"	773.248466	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M-2H+Na"	20.974666
"481007"	1149.385366	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M-2H+Na"	20.974666
"853341"	397.111566	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-2H+Na"	20.974666
"1619224"	397.111566	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Na-2H"	20.974666
"97214"	393.117963	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M-H+Cl"	33.962126
"534825"	581.186413	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M-H+Cl"	33.962126
"927247"	205.049513	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-H+Cl"	33.962126
"269214"	787.243202	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+Cl"	34.969402
"663458"	1163.380102	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+Cl"	34.969402
"1280237"	411.106302	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Cl"	34.969402
"23886"	789.222406	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M-2H+K"	36.948606
"460167"	1165.359306	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M-2H+K"	36.948606
"837969"	413.085506	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-2H+K"	36.948606
"1558545"	413.085506	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+K-2H"	36.948606
"946790"	421.135094	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-H+HCOOH"	44.998194
"367556"	797.272001	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+HCOOH-H"	44.998201
"349253"	811.287651	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+Hac-H"	59.013851
"1496991"	435.150751	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Hac-H"	59.013851
"963437"	443.117051	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-H+NaCOOH"	66.980151
"112343"	411.106302	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+2Cl"	69.938804
"560668"	599.174752	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+2Cl"	69.938804
"1027280"	223.037852	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2Cl"	69.938804
"1244669"	455.055785	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Br"	78.918885
"1305291"	457.111772	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Cl+HCOOH"	80.974872
"1320603"	479.093729	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Cl+NaCOOH"	102.956829
"912507"	489.122486	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M-H+CF3COOH"	112.985586
"1290559"	525.099164	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Cl+CF3COOH"	148.962264
"1367621"	341.124224	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H-2H2O"	-35.012676
"1383414"	359.1342	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H-H2O"	-17.0027
"286631"	753.281076	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+H"	1.007276
"676985"	1129.417976	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+H"	1.007276
"1353213"	377.144176	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H"	1.007276
"131571"	377.144176	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+2H"	2.014552
"571129"	565.212626	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+2H"	2.014552
"1042115"	189.075726	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2H"	2.014552
"204542"	251.765209333333	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+3H"	3.021828
"644380"	377.144176	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+3H"	3.021828
"1168797"	126.386242666667	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+3H"	3.021828
"424536"	770.307623	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+NH4"	18.033823
"785769"	1146.444523	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+NH4"	18.033823
"1682347"	394.170723	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+NH4"	18.033823
"339869"	385.6574495	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+H+NH4"	19.041099
"729008"	573.7258995	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+H+NH4"	19.041099
"1482829"	197.5889995	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H+NH4"	19.041099
"398229"	775.263018	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+Na"	22.989218
"758129"	1151.399918	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+Na"	22.989218
"1605136"	399.126118	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Na"	22.989218
"319556"	388.135147	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+H+Na"	23.996494
"715261"	576.203597	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+H+Na"	23.996494
"1466894"	200.066697	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H+Na"	23.996494
"1054065"	133.713556666667	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2H+Na"	25.00377
"1259633"	409.170386	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+CH3OH+H"	33.033486
"378328"	791.236958	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+K"	38.963158
"739076"	1167.373858	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+K"	38.963158
"1543446"	415.100058	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+K"	38.963158
"300987"	396.122117	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+H+K"	39.970434
"693408"	584.190567	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+H+K"	39.970434
"1447226"	208.053667	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H+K"	39.970434
"236554"	794.307626	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+ACN+H"	42.033826
"1211084"	418.170726	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+ACN+H"	42.033826
"1194599"	209.589001	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+ACN+2H"	43.041102
"188696"	797.24496	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+2Na-H"	44.97116
"628732"	1173.38186	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+2Na-H"	44.97116
"1133098"	421.10806	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2Na-H"	44.97116
"173944"	399.126118	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+2Na"	45.978436
"614244"	587.194568	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+2Na"	45.978436
"1119457"	211.057668	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2Na"	45.978436
"1402619"	141.040870666667	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H+2Na"	46.985712
"1433638"	423.149646	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H+HCOOH"	47.012746
"222607"	404.15914	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+3H2O+2H"	56.04448
"1511035"	437.20169	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+IsoProp+H"	61.06479
"411819"	407.113088	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+Na+K"	61.952376
"780468"	595.181538	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+Na+K"	61.952376
"1670602"	219.044638	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Na+K"	61.952376
"260039"	816.289568	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+ACN+Na"	64.015768
"1230924"	440.152668	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+ACN+Na"	64.015768
"1717262"	440.176193	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+NH4+HCOOH"	64.039293
"1184802"	148.368184666667	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+3Na"	68.967654
"1651046"	445.131588	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Na+HCOOH"	68.994688
"157416"	829.19284	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+2K-H"	76.91904
"598070"	1205.32974	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+2K-H"	76.91904
"1085615"	453.05594	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2K-H"	76.91904
"143403"	415.100058	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"2M+2K"	77.926316
"582243"	603.168508	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"3M+2K"	77.926316
"1069189"	227.031608	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2K"	77.926316
"1111773"	455.070492	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2K+H"	78.933592
"1350710"	455.158107	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+DMSO+H"	79.021207
"1019844"	459.197276	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2ACN+H"	83.060376
"1536997"	460.190908	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+IsoProp+Na+H"	84.054008
"1005029"	230.102276	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+2ACN+2H"	84.067652
"1602205"	461.105528	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+K+HCOOH"	84.968628
"1429081"	491.137038	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+H+CF3COOH"	115.000138
"1160458"	250.615551	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+3ACN+2H"	125.094202
"1708916"	508.163585	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+NH4+CF3COOH"	132.026685
"1646753"	513.11898	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+Na+CF3COOH"	136.98208
"1574749"	529.09292	"C11661"	"7-Epiloganic acid"	"C16H24O10"	"376.1369"	"M+K+CF3COOH"	152.95602
"811675"	558.1949	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M"	0
"979741"	539.17651	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-H2O-H"	-19.01839
"69077"	371.122657333333	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M-3H"	-3.021828
"506449"	557.187624	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M-3H"	-3.021828
"885343"	185.057690666667	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-3H"	-3.021828
"11572"	557.187624	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M-2H"	-2.014552
"451132"	836.285074	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M-2H"	-2.014552
"818726"	278.090174	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-2H"	-2.014552
"84558"	1115.382524	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M-H"	-1.007276
"524117"	1673.577424	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M-H"	-1.007276
"900825"	557.187624	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-H"	-1.007276
"49734"	1132.409071	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M-2H+NH4"	16.019271
"491481"	1690.603971	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M-2H+NH4"	16.019271
"869284"	574.214171	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-2H+NH4"	16.019271
"36090"	1137.364466	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M-2H+Na"	20.974666
"477837"	1695.559366	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M-2H+Na"	20.974666
"853451"	579.169566	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-2H+Na"	20.974666
"1622984"	579.169566	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Na-2H"	20.974666
"95865"	575.175963	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M-H+Cl"	33.962126
"534396"	854.273413	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M-H+Cl"	33.962126
"927150"	296.078513	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-H+Cl"	33.962126
"267414"	1151.359202	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+Cl"	34.969402
"660769"	1709.554102	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+Cl"	34.969402
"1278160"	593.164302	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Cl"	34.969402
"20716"	1153.338406	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M-2H+K"	36.948606
"457727"	1711.533306	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M-2H+K"	36.948606
"835892"	595.143506	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-2H+K"	36.948606
"1557926"	595.143506	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+K-2H"	36.948606
"944351"	603.193094	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-H+HCOOH"	44.998194
"365481"	1161.388001	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+HCOOH-H"	44.998201
"347177"	1175.403651	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+Hac-H"	59.013851
"1493822"	617.208751	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Hac-H"	59.013851
"960387"	625.175051	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-H+NaCOOH"	66.980151
"110752"	593.164302	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+2Cl"	69.938804
"560778"	872.261752	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+2Cl"	69.938804
"1028483"	314.066852	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2Cl"	69.938804
"1243321"	637.113785	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Br"	78.918885
"1305160"	639.169772	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Cl+HCOOH"	80.974872
"1320712"	661.151729	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Cl+NaCOOH"	102.956829
"912378"	671.180486	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M-H+CF3COOH"	112.985586
"1293949"	707.157164	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Cl+CF3COOH"	148.962264
"1371016"	523.182224	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H-2H2O"	-35.012676
"1383409"	541.1922	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H-H2O"	-17.0027
"286741"	1117.397076	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+H"	1.007276
"680256"	1675.591976	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+H"	1.007276
"1354420"	559.202176	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H"	1.007276
"131682"	559.202176	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+2H"	2.014552
"573426"	838.299626	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+2H"	2.014552
"1042225"	280.104726	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2H"	2.014552
"205505"	373.137209333333	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+3H"	3.021828
"644620"	559.202176	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+3H"	3.021828
"1168907"	187.072242666667	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+3H"	3.021828
"426713"	1134.423623	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+NH4"	18.033823
"785842"	1692.618523	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+NH4"	18.033823
"1681399"	576.228723	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+NH4"	18.033823
"339979"	567.7154495	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+H+NH4"	19.041099
"726930"	846.8128995	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+H+NH4"	19.041099
"1481846"	288.6179995	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H+NH4"	19.041099
"397246"	1139.379018	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+Na"	22.989218
"761524"	1697.573918	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+Na"	22.989218
"1606340"	581.184118	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Na"	22.989218
"318573"	570.193147	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+H+Na"	23.996494
"714278"	849.290597	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+H+Na"	23.996494
"1464816"	291.095697	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H+Na"	23.996494
"1058059"	194.399556666667	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2H+Na"	25.00377
"1257917"	591.228386	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+CH3OH+H"	33.033486
"380500"	1155.352958	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+K"	38.963158
"739549"	1713.547858	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+K"	38.963158
"1543191"	597.158058	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+K"	38.963158
"302190"	578.180117	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+H+K"	39.970434
"693882"	857.277567	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+H+K"	39.970434
"1447335"	299.082667	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H+K"	39.970434
"236667"	1158.423626	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+ACN+H"	42.033826
"1210709"	600.228726	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+ACN+H"	42.033826
"1194547"	300.618001	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+ACN+2H"	43.041102
"189401"	1161.36096	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+2Na-H"	44.97116
"628841"	1719.55586	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+2Na-H"	44.97116
"1132717"	603.16606	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2Na-H"	44.97116
"172990"	581.184118	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+2Na"	45.978436
"615326"	860.281568	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+2Na"	45.978436
"1118473"	302.086668	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2Na"	45.978436
"1404185"	201.726870666667	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H+2Na"	46.985712
"1434113"	605.207646	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H+HCOOH"	47.012746
"223081"	586.21714	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+3H2O+2H"	56.04448
"1511144"	619.25969	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+IsoProp+H"	61.06479
"411929"	589.171088	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+Na+K"	61.952376
"777298"	868.268538	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+Na+K"	61.952376
"1670712"	310.073638	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Na+K"	61.952376
"260149"	1180.405568	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+ACN+Na"	64.015768
"1230670"	622.210668	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+ACN+Na"	64.015768
"1716278"	622.234193	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+NH4+HCOOH"	64.039293
"1186005"	209.054184666667	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+3Na"	68.967654
"1651885"	627.189588	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Na+HCOOH"	68.994688
"157772"	1193.30884	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+2K-H"	76.91904
"597692"	1751.50374	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+2K-H"	76.91904
"1084510"	635.11394	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2K-H"	76.91904
"142787"	597.158058	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"2M+2K"	77.926316
"581990"	876.255508	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"3M+2K"	77.926316
"1069909"	318.060608	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2K"	77.926316
"1104220"	637.128492	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2K+H"	78.933592
"1347167"	637.216107	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+DMSO+H"	79.021207
"1016790"	641.255276	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2ACN+H"	83.060376
"1536013"	642.248908	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+IsoProp+Na+H"	84.054008
"1004287"	321.131276	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+2ACN+2H"	84.067652
"1599152"	643.163528	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+K+HCOOH"	84.968628
"1423718"	673.195038	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+H+CF3COOH"	115.000138
"1161539"	341.644551	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+3ACN+2H"	125.094202
"1709026"	690.221585	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+NH4+CF3COOH"	132.026685
"1646863"	695.17698	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+Na+CF3COOH"	136.98208
"1575952"	711.15092	"C11662"	"7-Epiloganin tetraacetate"	"C25H34O14"	"558.1949"	"M+K+CF3COOH"	152.95602
"811785"	600.2054	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M"	0
"979851"	581.18701	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-H2O-H"	-19.01839
"68094"	399.129657333333	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M-3H"	-3.021828
"505465"	599.198124	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M-3H"	-3.021828
"885453"	199.061190666667	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-3H"	-3.021828
"6215"	599.198124	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M-2H"	-2.014552
"447961"	899.300824	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M-2H"	-2.014552
"818108"	299.095424	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-2H"	-2.014552
"86856"	1199.403524	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M-H"	-1.007276
"527508"	1799.608924	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M-H"	-1.007276
"900935"	599.198124	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-H"	-1.007276
"52761"	1216.430071	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M-2H+NH4"	16.019271
"492686"	1816.635471	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M-2H+NH4"	16.019271
"871581"	616.224671	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-2H+NH4"	16.019271
"36200"	1221.385466	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M-2H+Na"	20.974666
"477947"	1821.590866	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M-2H+Na"	20.974666
"854655"	621.180066	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-2H+Na"	20.974666
"1623094"	621.180066	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Na-2H"	20.974666
"96342"	617.186463	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M-H+Cl"	33.962126
"534684"	917.289163	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M-H+Cl"	33.962126
"927628"	317.083763	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-H+Cl"	33.962126
"269434"	1235.380202	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+Cl"	34.969402
"662217"	1835.585602	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+Cl"	34.969402
"1273769"	635.174802	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Cl"	34.969402
"21919"	1237.359406	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M-2H+K"	36.948606
"458200"	1837.564806	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M-2H+K"	36.948606
"834911"	637.154006	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-2H+K"	36.948606
"1562776"	637.154006	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+K-2H"	36.948606
"943731"	645.203594	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-H+HCOOH"	44.998194
"363406"	1245.409001	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+HCOOH-H"	44.998201
"349474"	1259.424651	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+Hac-H"	59.013851
"1493929"	659.219251	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Hac-H"	59.013851
"959404"	667.185551	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-H+NaCOOH"	66.980151
"110741"	635.174802	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+2Cl"	69.938804
"552137"	935.277502	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+2Cl"	69.938804
"1025311"	335.072102	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2Cl"	69.938804
"1241483"	679.124285	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Br"	78.918885
"1304539"	681.180272	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Cl+HCOOH"	80.974872
"1319996"	703.162229	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Cl+NaCOOH"	102.956829
"911757"	713.190986	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M-H+CF3COOH"	112.985586
"1288829"	749.167664	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Cl+CF3COOH"	148.962264
"1367599"	565.192724	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H-2H2O"	-35.012676
"1384608"	583.2027	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H-H2O"	-17.0027
"285752"	1201.418076	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+H"	1.007276
"677078"	1801.623476	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+H"	1.007276
"1351976"	601.212676	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H"	1.007276
"126686"	601.212676	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+2H"	2.014552
"565771"	901.315376	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+2H"	2.014552
"1037267"	301.109976	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2H"	2.014552
"205492"	401.144209333333	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+3H"	3.021828
"644689"	601.212676	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+3H"	3.021828
"1172297"	201.075742666667	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+3H"	3.021828
"427917"	1218.444623	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+NH4"	18.033823
"787817"	1818.650023	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+NH4"	18.033823
"1682446"	618.239223	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+NH4"	18.033823
"332426"	609.7259495	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+H+NH4"	19.041099
"728496"	909.8286495	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+H+NH4"	19.041099
"1480862"	309.6232495	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H+NH4"	19.041099
"397356"	1223.400018	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+Na"	22.989218
"757259"	1823.605418	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+Na"	22.989218
"1606447"	623.194618	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Na"	22.989218
"316496"	612.203647	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+H+Na"	23.996494
"714388"	912.306347	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+H+Na"	23.996494
"1462981"	312.100947	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H+Na"	23.996494
"1058169"	208.403056666667	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2H+Na"	25.00377
"1257173"	633.238886	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+CH3OH+H"	33.033486
"378300"	1239.373958	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+K"	38.963158
"738679"	1839.579358	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+K"	38.963158
"1542573"	639.168558	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+K"	38.963158
"300116"	620.190617	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+H+K"	39.970434
"691929"	920.293317	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+H+K"	39.970434
"1446356"	320.087917	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H+K"	39.970434
"236778"	1242.444626	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+ACN+H"	42.033826
"1210457"	642.239226	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+ACN+H"	42.033826
"1194322"	321.623251	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+ACN+2H"	43.041102
"189278"	1245.38196	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+2Na-H"	44.97116
"629565"	1845.58736	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+2Na-H"	44.97116
"1131856"	645.17656	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2Na-H"	44.97116
"172933"	623.194618	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+2Na"	45.978436
"613616"	923.297318	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+2Na"	45.978436
"1119312"	323.091918	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2Na"	45.978436
"1402838"	215.730370666667	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H+2Na"	46.985712
"1432037"	647.218146	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H+HCOOH"	47.012746
"222827"	628.22764	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+3H2O+2H"	56.04448
"1511619"	661.27019	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+IsoProp+H"	61.06479
"412039"	631.181588	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+Na+K"	61.952376
"777407"	931.284288	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+Na+K"	61.952376
"1668635"	331.078888	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Na+K"	61.952376
"251991"	1264.426568	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+ACN+Na"	64.015768
"1227862"	664.221168	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+ACN+Na"	64.015768
"1715654"	664.244693	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+NH4+HCOOH"	64.039293
"1178732"	223.057684666667	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+3Na"	68.967654
"1650773"	669.200088	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Na+HCOOH"	68.994688
"157394"	1277.32984	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+2K-H"	76.91904
"599025"	1877.53524	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+2K-H"	76.91904
"1084297"	677.12444	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2K-H"	76.91904
"141427"	639.168558	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"2M+2K"	77.926316
"581391"	939.271258	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"3M+2K"	77.926316
"1070018"	339.065858	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2K"	77.926316
"1101529"	679.138992	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2K+H"	78.933592
"1337184"	679.226607	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+DMSO+H"	79.021207
"1011432"	683.265776	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2ACN+H"	83.060376
"1536123"	684.259408	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+IsoProp+Na+H"	84.054008
"1004884"	342.136526	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+2ACN+2H"	84.067652
"1599262"	685.174028	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+K+HCOOH"	84.968628
"1423828"	715.205538	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+H+CF3COOH"	115.000138
"1161770"	362.649801	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+3ACN+2H"	125.094202
"1709136"	732.232085	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+NH4+CF3COOH"	132.026685
"1646973"	737.18748	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+Na+CF3COOH"	136.98208
"1576062"	753.16142	"C11663"	"Loganin pentaacetate"	"C27H36O15"	"600.2054"	"M+K+CF3COOH"	152.95602
"811895"	540.1843	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M"	0
"983243"	521.16591	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-H2O-H"	-19.01839
"69298"	359.115590666667	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M-3H"	-3.021828
"506670"	539.177024	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M-3H"	-3.021828
"889939"	179.054157333333	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-3H"	-3.021828
"11793"	539.177024	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H"	-2.014552
"449166"	809.269174	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H"	-2.014552
"824782"	269.084874	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-2H"	-2.014552
"85871"	1079.361324	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M-H"	-1.007276
"526525"	1619.545624	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M-H"	-1.007276
"902138"	539.177024	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-H"	-1.007276
"55423"	1096.387871	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H+NH4"	16.019271
"493890"	1636.572171	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H+NH4"	16.019271
"870597"	556.203571	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-2H+NH4"	16.019271
"35581"	1101.343266	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H+Na"	20.974666
"476234"	1641.527566	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H+Na"	20.974666
"854765"	561.158966	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-2H+Na"	20.974666
"1626485"	561.158966	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Na-2H"	20.974666
"101920"	557.165363	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M-H+Cl"	33.962126
"539655"	827.257513	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M-H+Cl"	33.962126
"928796"	287.073213	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-H+Cl"	33.962126
"270271"	1115.338002	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+Cl"	34.969402
"662691"	1655.522302	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+Cl"	34.969402
"1276554"	575.153702	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl"	34.969402
"19844"	1117.317206	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H+K"	36.948606
"458677"	1657.501506	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H+K"	36.948606
"835021"	577.132906	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-2H+K"	36.948606
"1565074"	577.132906	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+K-2H"	36.948606
"946397"	585.182494	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-H+HCOOH"	44.998194
"372266"	1125.366801	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+HCOOH-H"	44.998201
"358337"	1139.382451	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+Hac-H"	59.013851
"1501702"	599.198151	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Hac-H"	59.013851
"965961"	607.164451	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-H+NaCOOH"	66.980151
"112681"	575.153702	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+2Cl"	69.938804
"550302"	845.245852	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+2Cl"	69.938804
"1025421"	305.061552	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2Cl"	69.938804
"1242812"	619.103185	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Br"	78.918885
"1307446"	621.159172	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl+HCOOH"	80.974872
"1321663"	643.141129	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl+NaCOOH"	102.956829
"912719"	653.169886	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M-H+CF3COOH"	112.985586
"1289185"	689.146564	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl+CF3COOH"	148.962264
"1368561"	505.171624	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H-2H2O"	-35.012676
"1383995"	523.1816	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H-H2O"	-17.0027
"284773"	1081.375876	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+H"	1.007276
"677192"	1621.560176	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+H"	1.007276
"1353546"	541.191576	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H"	1.007276
"127890"	541.191576	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+2H"	2.014552
"570363"	811.283726	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+2H"	2.014552
"1040257"	271.099426	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2H"	2.014552
"207061"	361.130142666667	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+3H"	3.021828
"649902"	541.191576	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+3H"	3.021828
"1169129"	181.068709333333	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+3H"	3.021828
"430215"	1098.402423	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+NH4"	18.033823
"792301"	1638.586723	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+NH4"	18.033823
"1684621"	558.218123	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+NH4"	18.033823
"333629"	549.7048495	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+H+NH4"	19.041099
"731522"	819.7969995	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+H+NH4"	19.041099
"1485347"	279.6126995	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H+NH4"	19.041099
"398562"	1103.357818	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+Na"	22.989218
"762838"	1643.542118	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+Na"	22.989218
"1605469"	563.173518	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Na"	22.989218
"314938"	552.182547	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+H+Na"	23.996494
"712312"	822.274697	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+H+Na"	23.996494
"1462850"	282.090397	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H+Na"	23.996494
"1055000"	188.396023333333	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2H+Na"	25.00377
"1257653"	573.217786	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+CH3OH+H"	33.033486
"377805"	1119.331758	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+K"	38.963158
"738676"	1659.516058	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+K"	38.963158
"1540490"	579.147458	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+K"	38.963158
"299854"	560.169517	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+H+K"	39.970434
"691914"	830.261667	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+H+K"	39.970434
"1446827"	290.077367	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H+K"	39.970434
"237007"	1122.402426	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+ACN+H"	42.033826
"1211296"	582.218126	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+ACN+H"	42.033826
"1194561"	291.612701	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+ACN+2H"	43.041102
"189994"	1125.33976	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+2Na-H"	44.97116
"628943"	1665.52406	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+2Na-H"	44.97116
"1132335"	585.15546	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2Na-H"	44.97116
"173187"	563.173518	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+2Na"	45.978436
"613603"	833.265668	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+2Na"	45.978436
"1116870"	293.081368	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2Na"	45.978436
"1400029"	195.723337333333	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H+2Na"	46.985712
"1431781"	587.197046	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H+HCOOH"	47.012746
"221478"	568.20654	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+3H2O+2H"	56.04448
"1509903"	601.24909	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+IsoProp+H"	61.06479
"409223"	571.160488	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+Na+K"	61.952376
"771791"	841.252638	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+Na+K"	61.952376
"1666545"	301.068338	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Na+K"	61.952376
"252818"	1144.384368	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+ACN+Na"	64.015768
"1226627"	604.200068	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+ACN+Na"	64.015768
"1713570"	604.223593	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+NH4+HCOOH"	64.039293
"1178556"	203.050651333333	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+3Na"	68.967654
"1651005"	609.178988	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Na+HCOOH"	68.994688
"157783"	1157.28764	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+2K-H"	76.91904
"598885"	1697.47194	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+2K-H"	76.91904
"1084364"	617.10334	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2K-H"	76.91904
"142878"	579.147458	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"2M+2K"	77.926316
"582682"	849.239608	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"3M+2K"	77.926316
"1068611"	309.055308	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2K"	77.926316
"1100666"	619.117892	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2K+H"	78.933592
"1335817"	619.205507	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+DMSO+H"	79.021207
"1009355"	623.244676	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2ACN+H"	83.060376
"1535140"	624.238308	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+IsoProp+Na+H"	84.054008
"1004870"	312.125976	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+2ACN+2H"	84.067652
"1602171"	625.152928	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+K+HCOOH"	84.968628
"1429650"	655.184438	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+H+CF3COOH"	115.000138
"1161880"	332.639251	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+3ACN+2H"	125.094202
"1705965"	672.210985	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+NH4+CF3COOH"	132.026685
"1647083"	677.16638	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+Na+CF3COOH"	136.98208
"1573985"	693.14032	"C11664"	"10-Deoxygeniposide tetraacetate"	"C25H32O13"	"540.1843"	"M+K+CF3COOH"	152.95602
"812005"	540.1843	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M"	0
"984447"	521.16591	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-H2O-H"	-19.01839
"69408"	359.115590666667	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M-3H"	-3.021828
"506780"	539.177024	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M-3H"	-3.021828
"888955"	179.054157333333	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-3H"	-3.021828
"8623"	539.177024	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H"	-2.014552
"448182"	809.269174	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H"	-2.014552
"828170"	269.084874	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-2H"	-2.014552
"84888"	1079.361324	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M-H"	-1.007276
"526635"	1619.545624	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M-H"	-1.007276
"900425"	539.177024	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-H"	-1.007276
"51523"	1096.387871	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H+NH4"	16.019271
"494000"	1636.572171	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H+NH4"	16.019271
"869614"	556.203571	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-2H+NH4"	16.019271
"40795"	1101.343266	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H+Na"	20.974666
"477073"	1641.527566	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H+Na"	20.974666
"853051"	561.158966	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-2H+Na"	20.974666
"1622583"	561.158966	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Na-2H"	20.974666
"99843"	557.165363	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M-H+Cl"	33.962126
"539401"	827.257513	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M-H+Cl"	33.962126
"931094"	287.073213	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-H+Cl"	33.962126
"272571"	1115.338002	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+Cl"	34.969402
"667176"	1655.522302	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+Cl"	34.969402
"1276664"	575.153702	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl"	34.969402
"19952"	1117.317206	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M-2H+K"	36.948606
"461702"	1657.501506	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M-2H+K"	36.948606
"835131"	577.132906	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-2H+K"	36.948606
"1556475"	577.132906	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+K-2H"	36.948606
"946507"	585.182494	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-H+HCOOH"	44.998194
"372376"	1125.366801	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+HCOOH-H"	44.998201
"352980"	1139.382451	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+Hac-H"	59.013851
"1503635"	599.198151	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Hac-H"	59.013851
"967165"	607.164451	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-H+NaCOOH"	66.980151
"113884"	575.153702	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+2Cl"	69.938804
"553450"	845.245852	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+2Cl"	69.938804
"1024440"	305.061552	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2Cl"	69.938804
"1244015"	619.103185	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Br"	78.918885
"1306462"	621.159172	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl+HCOOH"	80.974872
"1322865"	643.141129	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl+NaCOOH"	102.956829
"915016"	653.169886	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M-H+CF3COOH"	112.985586
"1289661"	689.146564	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Cl+CF3COOH"	148.962264
"1370250"	505.171624	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H-2H2O"	-35.012676
"1384469"	523.1816	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H-H2O"	-17.0027
"286339"	1081.375876	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+H"	1.007276
"680582"	1621.560176	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+H"	1.007276
"1354020"	541.191576	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H"	1.007276
"130916"	541.191576	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+2H"	2.014552
"569380"	811.283726	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+2H"	2.014552
"1044741"	271.099426	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2H"	2.014552
"209359"	361.130142666667	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+3H"	3.021828
"650013"	541.191576	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+3H"	3.021828
"1171426"	181.068709333333	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+3H"	3.021828
"435428"	1098.402423	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+NH4"	18.033823
"793506"	1638.586723	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+NH4"	18.033823
"1687648"	558.218123	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+NH4"	18.033823
"334833"	549.7048495	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+H+NH4"	19.041099
"730903"	819.7969995	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+H+NH4"	19.041099
"1486550"	279.6126995	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H+NH4"	19.041099
"396843"	1103.357818	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+Na"	22.989218
"757477"	1643.542118	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+Na"	22.989218
"1605701"	563.173518	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Na"	22.989218
"317804"	552.182547	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+H+Na"	23.996494
"709137"	822.274697	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+H+Na"	23.996494
"1462104"	282.090397	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H+Na"	23.996494
"1053531"	188.396023333333	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2H+Na"	25.00377
"1257877"	573.217786	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+CH3OH+H"	33.033486
"377794"	1119.331758	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+K"	38.963158
"738820"	1659.516058	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+K"	38.963158
"1540719"	579.147458	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+K"	38.963158
"299230"	560.169517	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+H+K"	39.970434
"691611"	830.261667	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+H+K"	39.970434
"1446450"	290.077367	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H+K"	39.970434
"237365"	1122.402426	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+ACN+H"	42.033826
"1210677"	582.218126	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+ACN+H"	42.033826
"1194916"	291.612701	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+ACN+2H"	43.041102
"189620"	1125.33976	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+2Na-H"	44.97116
"629657"	1665.52406	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+2Na-H"	44.97116
"1132437"	585.15546	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2Na-H"	44.97116
"174270"	563.173518	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+2Na"	45.978436
"613952"	833.265668	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+2Na"	45.978436
"1116980"	293.081368	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2Na"	45.978436
"1400868"	195.723337333333	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H+2Na"	46.985712
"1430796"	587.197046	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H+HCOOH"	47.012746
"222321"	568.20654	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+3H2O+2H"	56.04448
"1511104"	601.24909	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+IsoProp+H"	61.06479
"410429"	571.160488	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+Na+K"	61.952376
"770325"	841.252638	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+Na+K"	61.952376
"1666532"	301.068338	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Na+K"	61.952376
"252685"	1144.384368	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+ACN+Na"	64.015768
"1227338"	604.200068	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+ACN+Na"	64.015768
"1714405"	604.223593	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+NH4+HCOOH"	64.039293
"1179519"	203.050651333333	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+3Na"	68.967654
"1652208"	609.178988	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Na+HCOOH"	68.994688
"159070"	1157.28764	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+2K-H"	76.91904
"599724"	1697.47194	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+2K-H"	76.91904
"1084513"	617.10334	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2K-H"	76.91904
"141939"	579.147458	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"2M+2K"	77.926316
"582917"	849.239608	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"3M+2K"	77.926316
"1068615"	309.055308	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2K"	77.926316
"1100289"	619.117892	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2K+H"	78.933592
"1336171"	619.205507	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+DMSO+H"	79.021207
"1005919"	623.244676	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2ACN+H"	83.060376
"1525032"	624.238308	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+IsoProp+Na+H"	84.054008
"1004742"	312.125976	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+2ACN+2H"	84.067652
"1601551"	625.152928	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+K+HCOOH"	84.968628
"1428423"	655.184438	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+H+CF3COOH"	115.000138
"1155431"	332.639251	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+3ACN+2H"	125.094202
"1706076"	672.210985	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+NH4+CF3COOH"	132.026685
"1647193"	677.16638	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+Na+CF3COOH"	136.98208
"1575189"	693.14032	"C11665"	"7-Deoxygardoside metyl ester tetraacetate"	"C25H32O13"	"540.1843"	"M+K+CF3COOH"	152.95602
"815395"	556.2156	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M"	0
"986743"	537.19721	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H2O-H"	-19.01839
"73892"	369.803124	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-3H"	-3.021828
"511265"	555.208324	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-3H"	-3.021828
"887971"	184.397924	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-3H"	-3.021828
"8733"	555.208324	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H"	-2.014552
"447200"	833.316124	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H"	-2.014552
"827187"	277.100524	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H"	-2.014552
"84268"	1111.423924	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-H"	-1.007276
"525651"	1667.639524	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-H"	-1.007276
"901262"	555.208324	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H"	-1.007276
"54913"	1128.450471	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H+NH4"	16.019271
"500670"	1684.666071	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H+NH4"	16.019271
"872275"	572.234871	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H+NH4"	16.019271
"41999"	1133.405866	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H+Na"	20.974666
"477183"	1689.621466	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H+Na"	20.974666
"852432"	577.190266	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H+Na"	20.974666
"1624518"	577.190266	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na-2H"	20.974666
"103233"	573.196663	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-H+Cl"	33.962126
"539147"	851.304463	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-H+Cl"	33.962126
"931934"	295.088863	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+Cl"	33.962126
"271218"	1147.400602	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Cl"	34.969402
"663275"	1703.616202	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+Cl"	34.969402
"1274948"	591.185002	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl"	34.969402
"19332"	1149.379806	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H+K"	36.948606
"459625"	1705.595406	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H+K"	36.948606
"835241"	593.164206	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H+K"	36.948606
"1564199"	593.164206	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K-2H"	36.948606
"949897"	601.213794	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+HCOOH"	44.998194
"372486"	1157.429401	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+HCOOH-H"	44.998201
"357464"	1171.445051	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Hac-H"	59.013851
"1500829"	615.229451	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Hac-H"	59.013851
"966183"	623.195751	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+NaCOOH"	66.980151
"113994"	591.185002	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2Cl"	69.938804
"555747"	869.292802	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2Cl"	69.938804
"1024550"	313.077202	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2Cl"	69.938804
"1245218"	635.134485	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Br"	78.918885
"1310948"	637.190472	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl+HCOOH"	80.974872
"1326257"	659.172429	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl+NaCOOH"	102.956829
"919502"	669.201186	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+CF3COOH"	112.985586
"1292202"	705.177864	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl+CF3COOH"	148.962264
"1371092"	521.202924	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H-2H2O"	-35.012676
"1387494"	539.2129	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H-H2O"	-17.0027
"288273"	1113.438476	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H"	1.007276
"677777"	1669.654076	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H"	1.007276
"1355952"	557.222876	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H"	1.007276
"133213"	557.222876	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2H"	2.014552
"570585"	835.330676	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2H"	2.014552
"1044851"	279.115076	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2H"	2.014552
"210564"	371.817676	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+3H"	3.021828
"649031"	557.222876	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+3H"	3.021828
"1171536"	186.412476	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+3H"	3.021828
"435902"	1130.465023	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+NH4"	18.033823
"794708"	1686.680623	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+NH4"	18.033823
"1687758"	574.249423	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+NH4"	18.033823
"336036"	565.7361495	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H+NH4"	19.041099
"729556"	843.8439495	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H+NH4"	19.041099
"1484474"	287.6283495	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+NH4"	19.041099
"399873"	1135.420418	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Na"	22.989218
"757587"	1691.636018	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+Na"	22.989218
"1612252"	579.204818	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na"	22.989218
"322288"	568.213847	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H+Na"	23.996494
"712528"	846.321647	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H+Na"	23.996494
"1466353"	290.106047	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+Na"	23.996494
"1059599"	193.73979	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2H+Na"	25.00377
"1264555"	589.249086	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+CH3OH+H"	33.033486
"382038"	1151.394358	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+K"	38.963158
"745218"	1707.609958	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+K"	38.963158
"1542534"	595.178758	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K"	38.963158
"304084"	576.200817	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H+K"	39.970434
"691645"	854.308617	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H+K"	39.970434
"1445949"	298.093017	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+K"	39.970434
"236616"	1154.465026	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+ACN+H"	42.033826
"1210661"	598.249426	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+ACN+H"	42.033826
"1195879"	299.628351	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+ACN+2H"	43.041102
"190575"	1157.40236	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2Na-H"	44.97116
"631233"	1713.61796	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2Na-H"	44.97116
"1133036"	601.18676	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2Na-H"	44.97116
"175475"	579.204818	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2Na"	45.978436
"616862"	857.312618	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2Na"	45.978436
"1118547"	301.097018	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2Na"	45.978436
"1400977"	201.067104	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+2Na"	46.985712
"1437109"	603.228346	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+HCOOH"	47.012746
"226805"	584.23784	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+3H2O+2H"	56.04448
"1512309"	617.28039	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+IsoProp+H"	61.06479
"412365"	587.191788	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Na+K"	61.952376
"773355"	865.299588	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+Na+K"	61.952376
"1666767"	309.083988	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na+K"	61.952376
"254383"	1176.446968	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+ACN+Na"	64.015768
"1227458"	620.231368	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+ACN+Na"	64.015768
"1716344"	620.254893	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+NH4+HCOOH"	64.039293
"1179875"	208.394418	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+3Na"	68.967654
"1655237"	625.210288	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na+HCOOH"	68.994688
"160275"	1189.35024	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2K-H"	76.91904
"600202"	1745.56584	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2K-H"	76.91904
"1086544"	633.13464	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2K-H"	76.91904
"143116"	595.178758	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2K"	77.926316
"582146"	873.286558	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2K"	77.926316
"1068677"	317.070958	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2K"	77.926316
"1100400"	635.149192	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2K+H"	78.933592
"1336414"	635.236807	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+DMSO+H"	79.021207
"1006653"	639.275976	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2ACN+H"	83.060376
"1525142"	640.269608	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+IsoProp+Na+H"	84.054008
"1004365"	320.141626	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2ACN+2H"	84.067652
"1601660"	641.184228	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K+HCOOH"	84.968628
"1428534"	671.215738	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+CF3COOH"	115.000138
"1157728"	340.654901	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+3ACN+2H"	125.094202
"1706186"	688.242285	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+NH4+CF3COOH"	132.026685
"1647303"	693.19768	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na+CF3COOH"	136.98208
"1575299"	709.17162	"C11666"	"11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K+CF3COOH"	152.95602
"812225"	556.2156	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M"	0
"981385"	537.19721	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H2O-H"	-19.01839
"66346"	369.803124	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-3H"	-3.021828
"508092"	555.208324	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-3H"	-3.021828
"888079"	184.397924	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-3H"	-3.021828
"8842"	555.208324	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H"	-2.014552
"447309"	833.316124	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H"	-2.014552
"824016"	277.100524	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H"	-2.014552
"81827"	1111.423924	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-H"	-1.007276
"522480"	1667.639524	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-H"	-1.007276
"898095"	555.208324	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H"	-1.007276
"53566"	1128.450471	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H+NH4"	16.019271
"497500"	1684.666071	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H+NH4"	16.019271
"869834"	572.234871	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H+NH4"	16.019271
"43202"	1133.405866	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H+Na"	20.974666
"479480"	1689.621466	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H+Na"	20.974666
"856189"	577.190266	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H+Na"	20.974666
"1622438"	577.190266	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na-2H"	20.974666
"101156"	573.196663	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-H+Cl"	33.962126
"537434"	851.304463	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-H+Cl"	33.962126
"930584"	295.088863	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+Cl"	33.962126
"273515"	1147.400602	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Cl"	34.969402
"663386"	1703.616202	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+Cl"	34.969402
"1275061"	591.185002	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl"	34.969402
"18349"	1149.379806	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M-2H+K"	36.948606
"458642"	1705.595406	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M-2H+K"	36.948606
"837538"	593.164206	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-2H+K"	36.948606
"1559934"	593.164206	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K-2H"	36.948606
"952194"	601.213794	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+HCOOH"	44.998194
"372596"	1157.429401	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+HCOOH-H"	44.998201
"354292"	1171.445051	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Hac-H"	59.013851
"1502032"	615.229451	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Hac-H"	59.013851
"967385"	623.195751	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+NaCOOH"	66.980151
"115197"	591.185002	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2Cl"	69.938804
"561325"	869.292802	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2Cl"	69.938804
"1027940"	313.077202	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2Cl"	69.938804
"1247517"	635.134485	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Br"	78.918885
"1311059"	637.190472	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl+HCOOH"	80.974872
"1324181"	659.172429	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl+NaCOOH"	102.956829
"916696"	669.201186	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M-H+CF3COOH"	112.985586
"1290854"	705.177864	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Cl+CF3COOH"	148.962264
"1372295"	521.202924	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H-2H2O"	-35.012676
"1386511"	539.2129	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H-H2O"	-17.0027
"288383"	1113.438476	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H"	1.007276
"676794"	1669.654076	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H"	1.007276
"1358249"	557.222876	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H"	1.007276
"133323"	557.222876	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2H"	2.014552
"569966"	835.330676	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2H"	2.014552
"1043868"	279.115076	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2H"	2.014552
"210674"	371.817676	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+3H"	3.021828
"653512"	557.222876	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+3H"	3.021828
"1171646"	186.412476	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+3H"	3.021828
"432732"	1130.465023	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+NH4"	18.033823
"794819"	1686.680623	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+NH4"	18.033823
"1690055"	574.249423	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+NH4"	18.033823
"335417"	565.7361495	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H+NH4"	19.041099
"731854"	843.8439495	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H+NH4"	19.041099
"1484584"	287.6283495	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+NH4"	19.041099
"395610"	1135.420418	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Na"	22.989218
"755873"	1691.636018	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+Na"	22.989218
"1610175"	579.204818	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na"	22.989218
"321304"	568.213847	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H+Na"	23.996494
"715920"	846.321647	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H+Na"	23.996494
"1466463"	290.106047	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+Na"	23.996494
"1059709"	193.73979	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2H+Na"	25.00377
"1265760"	589.249086	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+CH3OH+H"	33.033486
"385427"	1151.394358	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+K"	38.963158
"749704"	1707.609958	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+K"	38.963158
"1546289"	595.178758	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K"	38.963158
"307840"	576.200817	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+H+K"	39.970434
"693705"	854.308617	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+H+K"	39.970434
"1446426"	298.093017	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+K"	39.970434
"236849"	1154.465026	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+ACN+H"	42.033826
"1211018"	598.249426	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+ACN+H"	42.033826
"1195268"	299.628351	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+ACN+2H"	43.041102
"189962"	1157.40236	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2Na-H"	44.97116
"636084"	1713.61796	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2Na-H"	44.97116
"1132785"	601.18676	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2Na-H"	44.97116
"175224"	579.204818	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2Na"	45.978436
"614786"	857.312618	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2Na"	45.978436
"1118650"	301.097018	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2Na"	45.978436
"1400723"	201.067104	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+2Na"	46.985712
"1437219"	603.228346	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+HCOOH"	47.012746
"229101"	584.23784	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+3H2O+2H"	56.04448
"1510962"	617.28039	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+IsoProp+H"	61.06479
"411741"	587.191788	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+Na+K"	61.952376
"773829"	865.299588	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+Na+K"	61.952376
"1669432"	309.083988	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na+K"	61.952376
"254857"	1176.446968	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+ACN+Na"	64.015768
"1227932"	620.231368	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+ACN+Na"	64.015768
"1715726"	620.254893	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+NH4+HCOOH"	64.039293
"1181809"	208.394418	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+3Na"	68.967654
"1652429"	625.210288	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na+HCOOH"	68.994688
"158197"	1189.35024	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2K-H"	76.91904
"598853"	1745.56584	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2K-H"	76.91904
"1093944"	633.13464	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2K-H"	76.91904
"149665"	595.178758	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"2M+2K"	77.926316
"583758"	873.286558	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"3M+2K"	77.926316
"1068489"	317.070958	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2K"	77.926316
"1100266"	635.149192	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2K+H"	78.933592
"1336043"	635.236807	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+DMSO+H"	79.021207
"1006763"	639.275976	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2ACN+H"	83.060376
"1524360"	640.269608	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+IsoProp+Na+H"	84.054008
"1004600"	320.141626	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+2ACN+2H"	84.067652
"1596424"	641.184228	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K+HCOOH"	84.968628
"1426457"	671.215738	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+H+CF3COOH"	115.000138
"1155652"	340.654901	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+3ACN+2H"	125.094202
"1708484"	688.242285	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+NH4+CF3COOH"	132.026685
"1649236"	693.19768	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+Na+CF3COOH"	136.98208
"1575409"	709.17162	"C11667"	"8-epi-11-Hydroxyiridodial glucoside pentaacetate"	"C26H36O13"	"556.2156"	"M+K+CF3COOH"	152.95602
"812335"	556.1792	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M"	0
"978215"	537.16081	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-H2O-H"	-19.01839
"63418"	369.778857333333	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M-3H"	-3.021828
"508202"	555.171924	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M-3H"	-3.021828
"887095"	184.385790666667	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-3H"	-3.021828
"5671"	555.171924	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M-2H"	-2.014552
"446325"	833.261524	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M-2H"	-2.014552
"821939"	277.082324	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-2H"	-2.014552
"81934"	1111.351124	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M-H"	-1.007276
"520767"	1667.530324	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M-H"	-1.007276
"899297"	555.171924	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-H"	-1.007276
"56956"	1128.377671	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M-2H+NH4"	16.019271
"494329"	1684.556871	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M-2H+NH4"	16.019271
"872131"	572.198471	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-2H+NH4"	16.019271
"40031"	1133.333066	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M-2H+Na"	20.974666
"475944"	1689.512266	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M-2H+Na"	20.974666
"855204"	577.153866	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-2H+Na"	20.974666
"1620363"	577.153866	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Na-2H"	20.974666
"96891"	573.160263	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M-H+Cl"	33.962126
"535719"	851.249863	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M-H+Cl"	33.962126
"928868"	295.070663	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-H+Cl"	33.962126
"270709"	1147.327802	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+Cl"	34.969402
"661672"	1703.507002	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+Cl"	34.969402
"1275899"	591.148602	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Cl"	34.969402
"18818"	1149.307006	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M-2H+K"	36.948606
"458750"	1705.486206	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M-2H+K"	36.948606
"839835"	593.127806	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-2H+K"	36.948606
"1555701"	593.127806	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+K-2H"	36.948606
"947930"	601.177394	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-H+HCOOH"	44.998194
"369426"	1157.356601	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+HCOOH-H"	44.998201
"347841"	1171.372251	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+Hac-H"	59.013851
"1499955"	615.193051	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Hac-H"	59.013851
"967495"	623.159351	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-H+NaCOOH"	66.980151
"114214"	591.148602	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+2Cl"	69.938804
"557061"	869.238202	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+2Cl"	69.938804
"1026957"	313.059002	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2Cl"	69.938804
"1244348"	635.098085	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Br"	78.918885
"1311169"	637.154072	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Cl+HCOOH"	80.974872
"1324291"	659.136029	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Cl+NaCOOH"	102.956829
"916442"	669.164786	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M-H+CF3COOH"	112.985586
"1292058"	705.141464	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Cl+CF3COOH"	148.962264
"1371312"	521.166524	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H-2H2O"	-35.012676
"1385528"	539.1765	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H-H2O"	-17.0027
"285213"	1113.365676	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+H"	1.007276
"677634"	1669.544876	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+H"	1.007276
"1358359"	557.186476	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H"	1.007276
"131247"	557.186476	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+2H"	2.014552
"571169"	835.276076	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+2H"	2.014552
"1042885"	279.096876	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2H"	2.014552
"209691"	371.793409333333	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+3H"	3.021828
"652529"	557.186476	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+3H"	3.021828
"1171756"	186.400342666667	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+3H"	3.021828
"435028"	1130.392223	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+NH4"	18.033823
"796022"	1686.571423	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+NH4"	18.033823
"1690165"	574.213023	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+NH4"	18.033823
"338443"	565.6997495	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+H+NH4"	19.041099
"729047"	843.7893495	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+H+NH4"	19.041099
"1482139"	287.6101495	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H+NH4"	19.041099
"394991"	1135.347618	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+Na"	22.989218
"756711"	1691.526818	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+Na"	22.989218
"1609192"	579.168418	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Na"	22.989218
"321414"	568.177447	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+H+Na"	23.996494
"716031"	846.267047	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+H+Na"	23.996494
"1466573"	290.087847	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H+Na"	23.996494
"1058726"	193.727656666667	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2H+Na"	25.00377
"1265870"	589.212686	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+CH3OH+H"	33.033486
"383353"	1151.321558	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+K"	38.963158
"747628"	1707.500758	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+K"	38.963158
"1546400"	595.142358	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+K"	38.963158
"306857"	576.164417	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+H+K"	39.970434
"693815"	854.254017	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+H+K"	39.970434
"1447631"	298.074817	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H+K"	39.970434
"235850"	1154.392226	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+ACN+H"	42.033826
"1211496"	598.213026	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+ACN+H"	42.033826
"1194607"	299.610151	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+ACN+2H"	43.041102
"190072"	1157.32956	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+2Na-H"	44.97116
"636194"	1713.50876	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+2Na-H"	44.97116
"1133137"	601.15036	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2Na-H"	44.97116
"175334"	579.168418	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+2Na"	45.978436
"614044"	857.258018	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+2Na"	45.978436
"1118031"	301.078818	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2Na"	45.978436
"1400704"	201.054970666667	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H+2Na"	46.985712
"1432949"	603.191946	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H+HCOOH"	47.012746
"223378"	584.20144	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+3H2O+2H"	56.04448
"1510343"	617.24399	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+IsoProp+H"	61.06479
"408969"	587.155388	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+Na+K"	61.952376
"770288"	865.244988	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+Na+K"	61.952376
"1669175"	309.065788	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Na+K"	61.952376
"254239"	1176.374168	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+ACN+Na"	64.015768
"1226257"	620.194968	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+ACN+Na"	64.015768
"1716199"	620.218493	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+NH4+HCOOH"	64.039293
"1178583"	208.382284666667	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+3Na"	68.967654
"1650031"	625.173888	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Na+HCOOH"	68.994688
"157133"	1189.27744	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+2K-H"	76.91904
"597231"	1745.45664	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+2K-H"	76.91904
"1095148"	633.09824	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2K-H"	76.91904
"148682"	595.142358	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"2M+2K"	77.926316
"584232"	873.231958	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"3M+2K"	77.926316
"1068566"	317.052758	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2K"	77.926316
"1100377"	635.112792	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2K+H"	78.933592
"1336886"	635.200407	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+DMSO+H"	79.021207
"1006387"	639.239576	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2ACN+H"	83.060376
"1524997"	640.233208	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+IsoProp+Na+H"	84.054008
"1003128"	320.123426	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+2ACN+2H"	84.067652
"1595440"	641.147828	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+K+HCOOH"	84.968628
"1423287"	671.179338	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+H+CF3COOH"	115.000138
"1154669"	340.636701	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+3ACN+2H"	125.094202
"1706407"	688.205885	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+NH4+CF3COOH"	132.026685
"1647523"	693.16128	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+Na+CF3COOH"	136.98208
"1575883"	709.13522	"C11668"	"7-Dehydrologanin tetraacetate"	"C25H32O14"	"556.1792"	"M+K+CF3COOH"	152.95602
"809165"	556.1792	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M"	0
"980511"	537.16081	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-H2O-H"	-19.01839
"65471"	369.778857333333	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M-3H"	-3.021828
"509404"	555.171924	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M-3H"	-3.021828
"890487"	184.385790666667	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-3H"	-3.021828
"11249"	555.171924	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M-2H"	-2.014552
"449716"	833.261524	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M-2H"	-2.014552
"826425"	277.082324	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-2H"	-2.014552
"83141"	1111.351124	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M-H"	-1.007276
"522700"	1667.530324	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M-H"	-1.007276
"901595"	555.171924	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-H"	-1.007276
"52691"	1128.377671	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M-2H+NH4"	16.019271
"494438"	1684.556871	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M-2H+NH4"	16.019271
"874427"	572.198471	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-2H+NH4"	16.019271
"40142"	1133.333066	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M-2H+Na"	20.974666
"480795"	1689.512266	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M-2H+Na"	20.974666
"853856"	577.153866	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-2H+Na"	20.974666
"1622661"	577.153866	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Na-2H"	20.974666
"98823"	573.160263	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M-H+Cl"	33.962126
"539478"	851.249863	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M-H+Cl"	33.962126
"931535"	295.070663	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-H+Cl"	33.962126
"274101"	1147.327802	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+Cl"	34.969402
"666523"	1703.507002	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+Cl"	34.969402
"1276738"	591.148602	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Cl"	34.969402
"17474"	1149.307006	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M-2H+K"	36.948606
"457765"	1705.486206	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M-2H+K"	36.948606
"835570"	593.127806	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-2H+K"	36.948606
"1556992"	593.127806	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+K-2H"	36.948606
"943296"	601.177394	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-H+HCOOH"	44.998194
"364065"	1157.356601	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+HCOOH-H"	44.998201
"347950"	1171.372251	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+Hac-H"	59.013851
"1493621"	615.193051	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Hac-H"	59.013851
"961041"	623.159351	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-H+NaCOOH"	66.980151
"117607"	591.148602	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+2Cl"	69.938804
"557171"	869.238202	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+2Cl"	69.938804
"1027067"	313.059002	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2Cl"	69.938804
"1244458"	635.098085	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Br"	78.918885
"1312376"	637.154072	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Cl+HCOOH"	80.974872
"1329871"	659.136029	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Cl+NaCOOH"	102.956829
"920927"	669.164786	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M-H+CF3COOH"	112.985586
"1300919"	705.141464	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Cl+CF3COOH"	148.962264
"1371424"	521.166524	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H-2H2O"	-35.012676
"1390013"	539.1765	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H-H2O"	-17.0027
"288605"	1113.365676	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+H"	1.007276
"682119"	1669.544876	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+H"	1.007276
"1359563"	557.186476	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H"	1.007276
"133545"	557.186476	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+2H"	2.014552
"574197"	835.276076	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+2H"	2.014552
"1042994"	279.096876	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2H"	2.014552
"211258"	371.793409333333	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+3H"	3.021828
"650456"	557.186476	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+3H"	3.021828
"1171865"	186.400342666667	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+3H"	3.021828
"434045"	1130.392223	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+NH4"	18.033823
"797226"	1686.571423	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+NH4"	18.033823
"1686996"	574.213023	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+NH4"	18.033823
"335274"	565.6997495	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+H+NH4"	19.041099
"725871"	843.7893495	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+H+NH4"	19.041099
"1481516"	287.6101495	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H+NH4"	19.041099
"396916"	1135.347618	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+Na"	22.989218
"757543"	1691.526818	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+Na"	22.989218
"1607106"	579.168418	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Na"	22.989218
"315683"	568.177447	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+H+Na"	23.996494
"715046"	846.267047	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+H+Na"	23.996494
"1468869"	290.087847	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H+Na"	23.996494
"1061023"	193.727656666667	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2H+Na"	25.00377
"1268169"	589.212686	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+CH3OH+H"	33.033486
"384558"	1151.321558	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+K"	38.963158
"746644"	1707.500758	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+K"	38.963158
"1545417"	595.142358	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+K"	38.963158
"305874"	576.164417	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+H+K"	39.970434
"691533"	854.254017	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+H+K"	39.970434
"1446284"	298.074817	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H+K"	39.970434
"235698"	1154.392226	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+ACN+H"	42.033826
"1210147"	598.213026	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+ACN+H"	42.033826
"1195121"	299.610151	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+ACN+2H"	43.041102
"188966"	1157.32956	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+2Na-H"	44.97116
"629378"	1713.50876	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+2Na-H"	44.97116
"1133971"	601.15036	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2Na-H"	44.97116
"174716"	579.168418	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+2Na"	45.978436
"615000"	857.258018	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+2Na"	45.978436
"1118503"	301.078818	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2Na"	45.978436
"1401298"	201.054970666667	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H+2Na"	46.985712
"1432325"	603.191946	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H+HCOOH"	47.012746
"222754"	584.20144	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+3H2O+2H"	56.04448
"1510821"	617.24399	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+IsoProp+H"	61.06479
"411231"	587.155388	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+Na+K"	61.952376
"772225"	865.244988	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+Na+K"	61.952376
"1669286"	309.065788	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Na+K"	61.952376
"256172"	1176.374168	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+ACN+Na"	64.015768
"1228881"	620.194968	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+ACN+Na"	64.015768
"1720324"	620.218493	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+NH4+HCOOH"	64.039293
"1182394"	208.382284666667	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+3Na"	68.967654
"1651557"	625.173888	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Na+HCOOH"	68.994688
"159876"	1189.27744	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+2K-H"	76.91904
"598345"	1745.45664	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+2K-H"	76.91904
"1089785"	633.09824	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2K-H"	76.91904
"147695"	595.142358	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"2M+2K"	77.926316
"587256"	873.231958	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"3M+2K"	77.926316
"1071769"	317.052758	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2K"	77.926316
"1103886"	635.112792	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2K+H"	78.933592
"1339180"	635.200407	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+DMSO+H"	79.021207
"1007709"	639.239576	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2ACN+H"	83.060376
"1529121"	640.233208	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+IsoProp+Na+H"	84.054008
"1005381"	320.123426	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+2ACN+2H"	84.067652
"1597738"	641.147828	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+K+HCOOH"	84.968628
"1423397"	671.179338	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+H+CF3COOH"	115.000138
"1158059"	340.636701	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+3ACN+2H"	125.094202
"1707610"	688.205885	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+NH4+CF3COOH"	132.026685
"1644353"	693.16128	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+Na+CF3COOH"	136.98208
"1575993"	709.13522	"C11669"	"Deutzioside pentaacetate"	"C25H32O14"	"556.1792"	"M+K+CF3COOH"	152.95602
"809275"	330.1679	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M"	0
"979528"	311.14951	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-H2O-H"	-19.01839
"66677"	219.104657333333	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M-3H"	-3.021828
"505142"	329.160624	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M-3H"	-3.021828
"887318"	109.048690666667	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-3H"	-3.021828
"11360"	329.160624	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H"	-2.014552
"446548"	494.244574	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H"	-2.014552
"827629"	164.076674	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H"	-2.014552
"82158"	659.328524	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M-H"	-1.007276
"522811"	989.496424	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M-H"	-1.007276
"900612"	329.160624	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-H"	-1.007276
"52801"	676.355071	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H+NH4"	16.019271
"493455"	1006.522971	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H+NH4"	16.019271
"870165"	346.187171	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H+NH4"	16.019271
"40252"	681.310466	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H+Na"	20.974666
"480906"	1011.478366	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H+Na"	20.974666
"856521"	351.142566	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H+Na"	20.974666
"1623501"	351.142566	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na-2H"	20.974666
"97113"	347.148963	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M-H+Cl"	33.962126
"542140"	512.232913	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M-H+Cl"	33.962126
"930916"	182.065013	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+Cl"	33.962126
"269107"	695.305202	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Cl"	34.969402
"662625"	1025.473102	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+Cl"	34.969402
"1277947"	365.137302	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl"	34.969402
"19409"	697.284406	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M-2H+K"	36.948606
"456784"	1027.452306	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M-2H+K"	36.948606
"837867"	367.116506	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-2H+K"	36.948606
"1555805"	367.116506	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+K-2H"	36.948606
"943075"	375.166094	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+HCOOH"	44.998194
"361656"	705.334001	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+HCOOH-H"	44.998201
"345798"	719.349651	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Hac-H"	59.013851
"1494704"	389.181751	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Hac-H"	59.013851
"963343"	397.148051	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+NaCOOH"	66.980151
"115530"	365.137302	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2Cl"	69.938804
"558374"	530.221252	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2Cl"	69.938804
"1028270"	200.053352	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2Cl"	69.938804
"1251132"	409.086785	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Br"	78.918885
"1315767"	411.142772	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl+HCOOH"	80.974872
"1332169"	433.124729	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl+NaCOOH"	102.956829
"923228"	443.153486	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M-H+CF3COOH"	112.985586
"1295560"	479.130164	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Cl+CF3COOH"	148.962264
"1369347"	295.155224	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H-2H2O"	-35.012676
"1385748"	313.1652	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H-H2O"	-17.0027
"286529"	661.343076	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H"	1.007276
"680044"	991.510976	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H"	1.007276
"1353109"	331.175176	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H"	1.007276
"129643"	331.175176	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2H"	2.014552
"571025"	496.259126	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2H"	2.014552
"1040916"	166.091226	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2H"	2.014552
"207721"	221.119209333333	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+3H"	3.021828
"648377"	331.175176	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+3H"	3.021828
"1171975"	111.063242666667	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+3H"	3.021828
"437434"	678.369623	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+NH4"	18.033823
"789681"	1008.537523	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+NH4"	18.033823
"1684919"	348.201723	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+NH4"	18.033823
"332105"	339.6884495	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H+NH4"	19.041099
"729995"	504.7723995	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H+NH4"	19.041099
"1481629"	174.6044995	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+NH4"	19.041099
"397026"	683.325018	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Na"	22.989218
"756925"	1013.492918	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+Na"	22.989218
"1604051"	353.157118	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na"	22.989218
"316529"	342.166147	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H+Na"	23.996494
"716250"	507.250097	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H+Na"	23.996494
"1474086"	177.082197	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+Na"	23.996494
"1063321"	118.390556666667	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2H+Na"	25.00377
"1266818"	363.201386	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+CH3OH+H"	33.033486
"385761"	699.298958	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+K"	38.963158
"746753"	1029.466858	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+K"	38.963158
"1547714"	369.131058	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+K"	38.963158
"307077"	350.153117	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+H+K"	39.970434
"692944"	515.237067	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+H+K"	39.970434
"1445717"	185.069167	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+K"	39.970434
"235882"	702.369626	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+ACN+H"	42.033826
"1210618"	372.201726	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+ACN+H"	42.033826
"1195594"	186.604501	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+ACN+2H"	43.041102
"190649"	705.30696	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2Na-H"	44.97116
"629487"	1035.47486	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2Na-H"	44.97116
"1132264"	375.13906	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2Na-H"	44.97116
"174819"	353.157118	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2Na"	45.978436
"615472"	518.241068	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2Na"	45.978436
"1117518"	188.073168	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2Na"	45.978436
"1400687"	125.717870666667	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+2Na"	46.985712
"1430986"	377.180646	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+HCOOH"	47.012746
"225058"	358.19014	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+3H2O+2H"	56.04448
"1510932"	391.23269	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+IsoProp+H"	61.06479
"411707"	361.144088	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+Na+K"	61.952376
"772704"	526.228038	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+Na+K"	61.952376
"1667212"	196.060138	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na+K"	61.952376
"255189"	724.351568	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+ACN+Na"	64.015768
"1228632"	394.183668	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+ACN+Na"	64.015768
"1714965"	394.207193	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+NH4+HCOOH"	64.039293
"1179952"	133.045184666667	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+3Na"	68.967654
"1652763"	399.162588	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na+HCOOH"	68.994688
"158169"	737.25484	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2K-H"	76.91904
"599186"	1067.42274	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2K-H"	76.91904
"1088803"	407.08694	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2K-H"	76.91904
"147808"	369.131058	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"2M+2K"	77.926316
"582992"	534.215008	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"3M+2K"	77.926316
"1069935"	204.047108	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2K"	77.926316
"1105089"	409.101492	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2K+H"	78.933592
"1338197"	409.189107	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+DMSO+H"	79.021207
"1007821"	413.228276	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2ACN+H"	83.060376
"1528137"	414.221908	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+IsoProp+Na+H"	84.054008
"1003344"	207.117776	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+2ACN+2H"	84.067652
"1594568"	415.136528	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+K+HCOOH"	84.968628
"1423507"	445.168038	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+H+CF3COOH"	115.000138
"1160356"	227.631051	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+3ACN+2H"	125.094202
"1712093"	462.194585	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+NH4+CF3COOH"	132.026685
"1644462"	467.14998	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+Na+CF3COOH"	136.98208
"1573552"	483.12392	"C11670"	"Iridodial glucoside"	"C16H26O7"	"330.1679"	"M+K+CF3COOH"	152.95602
"812668"	346.1264	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M"	0
"981827"	327.10801	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-H2O-H"	-19.01839
"70068"	229.743657333333	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M-3H"	-3.021828
"504161"	345.119124	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M-3H"	-3.021828
"886336"	114.368190666667	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-3H"	-3.021828
"9286"	345.119124	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M-2H"	-2.014552
"448847"	518.182324	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M-2H"	-2.014552
"828836"	172.055924	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-2H"	-2.014552
"85548"	691.245524	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M-H"	-1.007276
"534203"	1037.371924	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M-H"	-1.007276
"902911"	345.119124	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-H"	-1.007276
"60568"	708.272071	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M-2H+NH4"	16.019271
"492477"	1054.398471	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M-2H+NH4"	16.019271
"872465"	362.145671	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-2H+NH4"	16.019271
"39271"	713.227466	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M-2H+Na"	20.974666
"478831"	1059.353866	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M-2H+Na"	20.974666
"863317"	367.101066	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-2H+Na"	20.974666
"1628351"	367.101066	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Na-2H"	20.974666
"101600"	363.107463	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M-H+Cl"	33.962126
"538972"	536.170663	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M-H+Cl"	33.962126
"933578"	190.044263	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-H+Cl"	33.962126
"276513"	727.222202	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+Cl"	34.969402
"672216"	1073.348602	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+Cl"	34.969402
"1285713"	381.095802	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Cl"	34.969402
"19522"	729.201406	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M-2H+K"	36.948606
"460177"	1075.327806	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M-2H+K"	36.948606
"835793"	383.075006	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-2H+K"	36.948606
"1557455"	383.075006	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+K-2H"	36.948606
"948259"	391.124594	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-H+HCOOH"	44.998194
"363192"	737.251001	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+HCOOH-H"	44.998201
"347076"	751.266651	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+Hac-H"	59.013851
"1501375"	405.140251	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Hac-H"	59.013851
"963455"	413.106551	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-H+NaCOOH"	66.980151
"121108"	381.095802	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+2Cl"	69.938804
"564694"	554.159002	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+2Cl"	69.938804
"1036768"	208.032602	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2Cl"	69.938804
"1255876"	425.045285	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Br"	78.918885
"1319529"	427.101272	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Cl+HCOOH"	80.974872
"1333375"	449.083229	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Cl+NaCOOH"	102.956829
"926746"	459.111986	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M-H+CF3COOH"	112.985586
"1304064"	495.088664	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Cl+CF3COOH"	148.962264
"1381246"	311.113724	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H-2H2O"	-35.012676
"1393514"	329.1237	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H-H2O"	-17.0027
"293201"	693.260076	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+H"	1.007276
"687446"	1039.386476	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+H"	1.007276
"1361971"	347.133676	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H"	1.007276
"133765"	347.133676	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+2H"	2.014552
"571136"	520.196876	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+2H"	2.014552
"1041392"	174.070476	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2H"	2.014552
"208929"	231.758209333333	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+3H"	3.021828
"648487"	347.133676	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+3H"	3.021828
"1173180"	116.382742666667	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+3H"	3.021828
"435359"	710.286623	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+NH4"	18.033823
"797446"	1056.413023	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+NH4"	18.033823
"1688310"	364.160223	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+NH4"	18.033823
"334399"	355.6469495	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+H+NH4"	19.041099
"730105"	528.7101495	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+H+NH4"	19.041099
"1481740"	182.5837495	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H+NH4"	19.041099
"394227"	715.242018	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+Na"	22.989218
"755221"	1061.368418	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+Na"	22.989218
"1604046"	369.115618	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Na"	22.989218
"316275"	358.124647	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+H+Na"	23.996494
"718923"	531.187847	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+H+Na"	23.996494
"1475414"	185.061447	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H+Na"	23.996494
"1067199"	123.710056666667	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2H+Na"	25.00377
"1266204"	379.159886	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+CH3OH+H"	33.033486
"388063"	731.215958	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+K"	38.963158
"749059"	1077.342358	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+K"	38.963158
"1545640"	385.089558	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+K"	38.963158
"306105"	366.111617	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+H+K"	39.970434
"698525"	539.174817	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+H+K"	39.970434
"1451250"	193.048417	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H+K"	39.970434
"240948"	734.286626	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+ACN+H"	42.033826
"1212925"	388.160226	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+ACN+H"	42.033826
"1195713"	194.583751	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+ACN+2H"	43.041102
"190405"	737.22396	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+2Na-H"	44.97116
"633251"	1083.35036	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+2Na-H"	44.97116
"1133474"	391.09756	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2Na-H"	44.97116
"174577"	369.115618	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+2Na"	45.978436
"615226"	542.178818	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+2Na"	45.978436
"1119832"	196.052418	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2Na"	45.978436
"1409919"	131.037370666667	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H+2Na"	46.985712
"1442035"	393.139146	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H+HCOOH"	47.012746
"228448"	374.14864	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+3H2O+2H"	56.04448
"1512136"	407.19119	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+IsoProp+H"	61.06479
"410361"	377.102588	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+Na+K"	61.952376
"775006"	550.165788	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+Na+K"	61.952376
"1668420"	204.039388	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Na+K"	61.952376
"254940"	756.268568	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+ACN+Na"	64.015768
"1229471"	410.142168	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+ACN+Na"	64.015768
"1718359"	410.165693	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+NH4+HCOOH"	64.039293
"1183714"	138.364684666667	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+3Na"	68.967654
"1656885"	415.121088	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Na+HCOOH"	68.994688
"158279"	769.17184	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+2K-H"	76.91904
"612264"	1115.29824	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+2K-H"	76.91904
"1094383"	423.04544	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2K-H"	76.91904
"151201"	385.089558	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"2M+2K"	77.926316
"590760"	558.152758	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"3M+2K"	77.926316
"1070897"	212.026358	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2K"	77.926316
"1106297"	425.059992	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2K+H"	78.933592
"1339406"	425.147607	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+DMSO+H"	79.021207
"1009031"	429.186776	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2ACN+H"	83.060376
"1529345"	430.180408	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+IsoProp+Na+H"	84.054008
"1002354"	215.097026	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+2ACN+2H"	84.067652
"1601237"	431.095028	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+K+HCOOH"	84.968628
"1426896"	461.126538	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+H+CF3COOH"	115.000138
"1159372"	235.610301	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+3ACN+2H"	125.094202
"1708923"	478.153085	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+NH4+CF3COOH"	132.026685
"1648947"	483.10848	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+Na+CF3COOH"	136.98208
"1575848"	499.08242	"C11671"	"Deutzioside"	"C15H22O9"	"346.1264"	"M+K+CF3COOH"	152.95602
"812775"	358.1264	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M"	0
"980844"	339.10801	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-H2O-H"	-19.01839
"71271"	237.743657333333	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M-3H"	-3.021828
"506458"	357.119124	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M-3H"	-3.021828
"884257"	118.368190666667	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-3H"	-3.021828
"5018"	357.119124	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M-2H"	-2.014552
"443487"	536.182324	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M-2H"	-2.014552
"825661"	178.055924	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-2H"	-2.014552
"82738"	715.245524	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M-H"	-1.007276
"531780"	1073.371924	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M-H"	-1.007276
"904114"	357.119124	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-H"	-1.007276
"55208"	732.272071	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M-2H+NH4"	16.019271
"493681"	1090.398471	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M-2H+NH4"	16.019271
"872575"	374.145671	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-2H+NH4"	16.019271
"40475"	737.227466	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M-2H+Na"	20.974666
"481128"	1095.353866	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M-2H+Na"	20.974666
"862209"	379.101066	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-2H+Na"	20.974666
"1626274"	379.101066	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Na-2H"	20.974666
"99523"	375.107463	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M-H+Cl"	33.962126
"537624"	554.170663	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M-H+Cl"	33.962126
"929313"	196.044263	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-H+Cl"	33.962126
"276623"	751.222202	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+Cl"	34.969402
"672326"	1109.348602	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+Cl"	34.969402
"1286916"	393.095802	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Cl"	34.969402
"26192"	753.201406	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M-2H+K"	36.948606
"467940"	1111.327806	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M-2H+K"	36.948606
"839183"	395.075006	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-2H+K"	36.948606
"1558296"	395.075006	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+K-2H"	36.948606
"949462"	403.124594	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-H+HCOOH"	44.998194
"363302"	761.251001	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+HCOOH-H"	44.998201
"350466"	775.266651	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+Hac-H"	59.013851
"1501485"	417.140251	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Hac-H"	59.013851
"967934"	425.106551	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-H+NaCOOH"	66.980151
"120121"	393.095802	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+2Cl"	69.938804
"564683"	572.159002	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+2Cl"	69.938804
"1036029"	214.032602	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2Cl"	69.938804
"1255370"	437.045285	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Br"	78.918885
"1319555"	439.101272	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Cl+HCOOH"	80.974872
"1333849"	461.083229	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Cl+NaCOOH"	102.956829
"926368"	471.111986	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M-H+CF3COOH"	112.985586
"1304005"	507.088664	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Cl+CF3COOH"	148.962264
"1381597"	323.113724	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H-2H2O"	-35.012676
"1390344"	341.1237	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H-H2O"	-17.0027
"291124"	717.260076	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+H"	1.007276
"687920"	1075.386476	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+H"	1.007276
"1362081"	359.133676	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H"	1.007276
"133875"	359.133676	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+2H"	2.014552
"569424"	538.196876	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+2H"	2.014552
"1041139"	180.070476	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2H"	2.014552
"208310"	239.758209333333	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+3H"	3.021828
"650785"	359.133676	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+3H"	3.021828
"1171103"	120.382742666667	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+3H"	3.021828
"433283"	734.286623	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+NH4"	18.033823
"794276"	1092.413023	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+NH4"	18.033823
"1684773"	376.160223	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+NH4"	18.033823
"333779"	367.6469495	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+H+NH4"	19.041099
"730215"	546.7101495	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+H+NH4"	19.041099
"1480757"	188.5837495	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H+NH4"	19.041099
"393321"	739.242018	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+Na"	22.989218
"754519"	1097.368418	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+Na"	22.989218
"1603221"	381.115618	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Na"	22.989218
"316385"	370.124647	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+H+Na"	23.996494
"708314"	549.187847	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+H+Na"	23.996494
"1470288"	191.061447	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H+Na"	23.996494
"1067552"	127.710056666667	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2H+Na"	25.00377
"1267407"	391.159886	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+CH3OH+H"	33.033486
"389266"	755.215958	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+K"	38.963158
"746979"	1113.342358	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+K"	38.963158
"1549030"	397.089558	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+K"	38.963158
"304028"	378.111617	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+H+K"	39.970434
"698635"	557.174817	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+H+K"	39.970434
"1451360"	199.048417	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H+K"	39.970434
"243245"	758.286626	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+ACN+H"	42.033826
"1214858"	400.160226	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+ACN+H"	42.033826
"1197281"	200.583751	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+ACN+2H"	43.041102
"191609"	761.22396	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+2Na-H"	44.97116
"635548"	1119.35036	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+2Na-H"	44.97116
"1134679"	403.09756	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2Na-H"	44.97116
"175781"	381.115618	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+2Na"	45.978436
"616796"	560.178818	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+2Na"	45.978436
"1119942"	202.052418	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2Na"	45.978436
"1410029"	135.037370666667	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H+2Na"	46.985712
"1442145"	405.139146	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H+HCOOH"	47.012746
"228558"	386.14864	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+3H2O+2H"	56.04448
"1513339"	419.19119	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+IsoProp+H"	61.06479
"410835"	389.102588	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+Na+K"	61.952376
"775116"	568.165788	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+Na+K"	61.952376
"1668166"	210.039388	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Na+K"	61.952376
"254686"	780.268568	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+ACN+Na"	64.015768
"1227393"	422.142168	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+ACN+Na"	64.015768
"1717375"	422.165693	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+NH4+HCOOH"	64.039293
"1187104"	142.364684666667	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+3Na"	68.967654
"1656996"	427.121088	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Na+HCOOH"	68.994688
"158873"	793.17184	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+2K-H"	76.91904
"609981"	1151.29824	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+2K-H"	76.91904
"1092306"	435.04544	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2K-H"	76.91904
"146936"	397.089558	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"2M+2K"	77.926316
"587590"	576.152758	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"3M+2K"	77.926316
"1072100"	218.026358	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2K"	77.926316
"1105313"	437.059992	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2K+H"	78.933592
"1339515"	437.147607	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+DMSO+H"	79.021207
"1010234"	441.186776	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2ACN+H"	83.060376
"1529455"	442.180408	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+IsoProp+Na+H"	84.054008
"994808"	221.097026	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+2ACN+2H"	84.067652
"1595879"	443.095028	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+K+HCOOH"	84.968628
"1426282"	473.126538	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+H+CF3COOH"	115.000138
"1158390"	241.610301	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+3ACN+2H"	125.094202
"1709034"	490.153085	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+NH4+CF3COOH"	132.026685
"1648693"	495.10848	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+Na+CF3COOH"	136.98208
"1575959"	511.08242	"C11672"	"10-Deoxygeniposidic acid"	"C16H22O9"	"358.1264"	"M+K+CF3COOH"	152.95602
"809605"	374.1213	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M"	0
"979858"	355.10291	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-H2O-H"	-19.01839
"63481"	248.406924	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M-3H"	-3.021828
"507658"	373.114024	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M-3H"	-3.021828
"880721"	123.699824	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-3H"	-3.021828
"4035"	373.114024	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M-2H"	-2.014552
"443597"	560.174674	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M-2H"	-2.014552
"823584"	186.053374	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-2H"	-2.014552
"80297"	747.235324	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M-H"	-1.007276
"530797"	1121.356624	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M-H"	-1.007276
"903131"	373.114024	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-H"	-1.007276
"55318"	764.261871	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M-2H+NH4"	16.019271
"497070"	1138.383171	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M-2H+NH4"	16.019271
"875964"	390.140571	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-2H+NH4"	16.019271
"40585"	769.217266	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M-2H+Na"	20.974666
"479052"	1143.338566	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M-2H+Na"	20.974666
"859039"	395.095966	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-2H+Na"	20.974666
"1625291"	395.095966	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Na-2H"	20.974666
"97447"	391.102363	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M-H+Cl"	33.962126
"537006"	578.163013	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M-H+Cl"	33.962126
"929060"	204.041713	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-H+Cl"	33.962126
"275640"	783.212002	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+Cl"	34.969402
"672436"	1157.333302	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+Cl"	34.969402
"1284840"	409.090702	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Cl"	34.969402
"25209"	785.191206	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M-2H+K"	36.948606
"466957"	1159.312506	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M-2H+K"	36.948606
"842573"	411.069906	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-2H+K"	36.948606
"1562782"	411.069906	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+K-2H"	36.948606
"949572"	419.119494	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-H+HCOOH"	44.998194
"362319"	793.240801	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+HCOOH-H"	44.998201
"350576"	807.256451	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+Hac-H"	59.013851
"1501595"	433.135151	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Hac-H"	59.013851
"968044"	441.101451	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-H+NaCOOH"	66.980151
"116951"	409.090702	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+2Cl"	69.938804
"559800"	596.151352	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+2Cl"	69.938804
"1031879"	222.030052	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2Cl"	69.938804
"1251460"	453.040185	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Br"	78.918885
"1319856"	455.096172	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Cl+HCOOH"	80.974872
"1332867"	477.078129	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Cl+NaCOOH"	102.956829
"926984"	487.106886	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M-H+CF3COOH"	112.985586
"1302820"	523.083564	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Cl+CF3COOH"	148.962264
"1380979"	339.108624	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H-2H2O"	-35.012676
"1389360"	357.1186	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H-H2O"	-17.0027
"291234"	749.249876	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+H"	1.007276
"688030"	1123.371176	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+H"	1.007276
"1357816"	375.128576	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H"	1.007276
"130704"	375.128576	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+2H"	2.014552
"569170"	562.189226	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+2H"	2.014552
"1039790"	188.067926	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2H"	2.014552
"208055"	250.421476	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+3H"	3.021828
"646520"	375.128576	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+3H"	3.021828
"1167204"	125.714376	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+3H"	3.021828
"432298"	766.276423	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+NH4"	18.033823
"793293"	1140.397723	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+NH4"	18.033823
"1683425"	392.155123	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+NH4"	18.033823
"332432"	383.6418495	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+H+NH4"	19.041099
"728138"	570.7024995	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+H+NH4"	19.041099
"1478680"	196.5811995	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H+NH4"	19.041099
"392980"	771.231818	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+Na"	22.989218
"754298"	1145.353118	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+Na"	22.989218
"1602882"	397.110518	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Na"	22.989218
"315644"	386.119547	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+H+Na"	23.996494
"707572"	573.180197	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+H+Na"	23.996494
"1468211"	199.058897	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H+Na"	23.996494
"1066932"	133.04169	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2H+Na"	25.00377
"1267517"	407.154786	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+CH3OH+H"	33.033486
"391441"	787.205758	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+K"	38.963158
"747089"	1161.327058	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+K"	38.963158
"1546953"	413.084458	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+K"	38.963158
"309606"	394.106517	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+H+K"	39.970434
"702025"	581.167167	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+H+K"	39.970434
"1453656"	207.045867	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H+K"	39.970434
"245541"	790.276426	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+ACN+H"	42.033826
"1214968"	416.155126	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+ACN+H"	42.033826
"1196298"	208.581201	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+ACN+2H"	43.041102
"190626"	793.21376	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+2Na-H"	44.97116
"632375"	1167.33506	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+2Na-H"	44.97116
"1135153"	419.09246	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2Na-H"	44.97116
"176254"	397.110518	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+2Na"	45.978436
"615204"	584.171168	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+2Na"	45.978436
"1121145"	210.049868	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2Na"	45.978436
"1410139"	140.369004	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H+2Na"	46.985712
"1438974"	421.134046	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H+HCOOH"	47.012746
"227575"	402.14354	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+3H2O+2H"	56.04448
"1510166"	435.18609	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+IsoProp+H"	61.06479
"411676"	405.097488	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+Na+K"	61.952376
"776319"	592.158138	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+Na+K"	61.952376
"1668276"	218.036838	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Na+K"	61.952376
"254796"	812.258368	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+ACN+Na"	64.015768
"1227504"	438.137068	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+ACN+Na"	64.015768
"1717485"	438.160593	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+NH4+HCOOH"	64.039293
"1188307"	147.696318	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+3Na"	68.967654
"1659292"	443.115988	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Na+HCOOH"	68.994688
"161779"	825.16164	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+2K-H"	76.91904
"610091"	1199.28294	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+2K-H"	76.91904
"1094603"	451.04034	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2K-H"	76.91904
"147046"	413.084458	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"2M+2K"	77.926316
"587700"	600.145108	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"3M+2K"	77.926316
"1074397"	226.023808	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2K"	77.926316
"1105423"	453.054892	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2K+H"	78.933592
"1339989"	453.142507	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+DMSO+H"	79.021207
"1012530"	457.181676	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2ACN+H"	83.060376
"1530658"	458.175308	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+IsoProp+Na+H"	84.054008
"996011"	229.094476	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+2ACN+2H"	84.067652
"1595989"	459.089928	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+K+HCOOH"	84.968628
"1427120"	489.121438	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+H+CF3COOH"	115.000138
"1159593"	249.607751	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+3ACN+2H"	125.094202
"1709144"	506.147985	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+NH4+CF3COOH"	132.026685
"1649290"	511.10338	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+Na+CF3COOH"	136.98208
"1576069"	527.07732	"C11673"	"Geniposidic acid"	"C16H22O10"	"374.1213"	"M+K+CF3COOH"	152.95602
"812995"	420.1268	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M"	0
"976688"	401.10841	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-H2O-H"	-19.01839
"63836"	279.077257333333	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M-3H"	-3.021828
"505580"	419.119524	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M-3H"	-3.021828
"880194"	139.034990666667	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-3H"	-3.021828
"5239"	419.119524	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M-2H"	-2.014552
"443707"	629.182924	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M-2H"	-2.014552
"824787"	209.056124	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-2H"	-2.014552
"81866"	839.246324	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M-H"	-1.007276
"524346"	1259.373124	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M-H"	-1.007276
"902148"	419.119524	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-H"	-1.007276
"49229"	856.272871	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M-2H+NH4"	16.019271
"493900"	1276.399671	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M-2H+NH4"	16.019271
"871701"	436.146071	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-2H+NH4"	16.019271
"41789"	861.228266	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M-2H+Na"	20.974666
"479161"	1281.355066	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M-2H+Na"	20.974666
"856962"	441.101466	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-2H+Na"	20.974666
"1625401"	441.101466	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Na-2H"	20.974666
"98650"	437.107863	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M-H+Cl"	33.962126
"537116"	647.171263	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M-H+Cl"	33.962126
"929536"	227.044463	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-H+Cl"	33.962126
"276843"	875.223002	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+Cl"	34.969402
"671453"	1295.349802	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+Cl"	34.969402
"1282762"	455.096202	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Cl"	34.969402
"22038"	877.202206	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M-2H+K"	36.948606
"464880"	1297.329006	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M-2H+K"	36.948606
"838309"	457.075406	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-2H+K"	36.948606
"1565079"	457.075406	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+K-2H"	36.948606
"948589"	465.124994	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-H+HCOOH"	44.998194
"361700"	885.251801	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+HCOOH-H"	44.998201
"349593"	899.267451	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+Hac-H"	59.013851
"1498425"	479.140651	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Hac-H"	59.013851
"967061"	487.106951	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-H+NaCOOH"	66.980151
"119248"	455.096202	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+2Cl"	69.938804
"558817"	665.159602	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+2Cl"	69.938804
"1029802"	245.032802	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2Cl"	69.938804
"1250477"	499.045685	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Br"	78.918885
"1316204"	501.101672	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Cl+HCOOH"	80.974872
"1335165"	523.083629	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Cl+NaCOOH"	102.956829
"926892"	533.112386	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M-H+CF3COOH"	112.985586
"1302566"	569.089064	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Cl+CF3COOH"	148.962264
"1377442"	385.114124	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H-2H2O"	-35.012676
"1391657"	403.1241	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H-H2O"	-17.0027
"291344"	841.260876	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+H"	1.007276
"688140"	1261.387676	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+H"	1.007276
"1359020"	421.134076	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H"	1.007276
"133001"	421.134076	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+2H"	2.014552
"571468"	631.197476	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+2H"	2.014552
"1045733"	211.070676	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2H"	2.014552
"209260"	281.091809333333	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+3H"	3.021828
"648817"	421.134076	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+3H"	3.021828
"1169135"	141.049542666667	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+3H"	3.021828
"429129"	858.287423	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+NH4"	18.033823
"791218"	1278.414223	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+NH4"	18.033823
"1686815"	438.160623	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+NH4"	18.033823
"335822"	429.6473495	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+H+NH4"	19.041099
"725332"	639.7107495	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+H+NH4"	19.041099
"1478059"	219.5839495	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H+NH4"	19.041099
"393823"	863.242818	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+Na"	22.989218
"754333"	1283.369618	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+Na"	22.989218
"1604975"	443.116018	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Na"	22.989218
"314613"	432.125047	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+H+Na"	23.996494
"707926"	642.188447	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+H+Na"	23.996494
"1465041"	222.061647	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H+Na"	23.996494
"1059381"	148.376856666667	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2H+Na"	25.00377
"1267627"	453.160286	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+CH3OH+H"	33.033486
"389485"	879.216758	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+K"	38.963158
"749386"	1299.343558	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+K"	38.963158
"1544876"	459.089958	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+K"	38.963158
"309716"	440.112017	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+H+K"	39.970434
"701042"	650.175417	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+H+K"	39.970434
"1453766"	230.048617	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H+K"	39.970434
"248929"	882.287426	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+ACN+H"	42.033826
"1216172"	462.160626	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+ACN+H"	42.033826
"1200055"	231.583951	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+ACN+2H"	43.041102
"191832"	885.22476	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+2Na-H"	44.97116
"632487"	1305.35156	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+2Na-H"	44.97116
"1134899"	465.09796	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2Na-H"	44.97116
"176001"	443.116018	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+2Na"	45.978436
"613736"	653.179418	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+2Na"	45.978436
"1119069"	233.052618	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2Na"	45.978436
"1409156"	155.704170666667	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H+2Na"	46.985712
"1437991"	467.139546	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H+HCOOH"	47.012746
"223312"	448.14904	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+3H2O+2H"	56.04448
"1509182"	481.19159	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+IsoProp+H"	61.06479
"411422"	451.102988	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+Na+K"	61.952376
"774244"	661.166388	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+Na+K"	61.952376
"1666193"	241.039588	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Na+K"	61.952376
"252350"	904.269368	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+ACN+Na"	64.015768
"1227249"	484.142568	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+ACN+Na"	64.015768
"1716502"	484.166093	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+NH4+HCOOH"	64.039293
"1186231"	163.031484666667	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+3Na"	68.967654
"1657216"	489.121488	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Na+HCOOH"	68.994688
"159703"	917.17264	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+2K-H"	76.91904
"610201"	1337.29944	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+2K-H"	76.91904
"1094713"	497.04584	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2K-H"	76.91904
"149342"	459.089958	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"2M+2K"	77.926316
"594370"	669.153358	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"3M+2K"	77.926316
"1077788"	249.026558	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2K"	77.926316
"1105533"	499.060392	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2K+H"	78.933592
"1341917"	499.148007	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+DMSO+H"	79.021207
"1012635"	503.187176	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2ACN+H"	83.060376
"1532947"	504.180808	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+IsoProp+Na+H"	84.054008
"995028"	252.097226	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+2ACN+2H"	84.067652
"1600471"	505.095428	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+K+HCOOH"	84.968628
"1425041"	535.126938	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+H+CF3COOH"	115.000138
"1158610"	272.610501	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+3ACN+2H"	125.094202
"1705974"	552.153485	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+NH4+CF3COOH"	132.026685
"1647090"	557.10888	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+Na+CF3COOH"	136.98208
"1576179"	573.08282	"C11674"	"Secogalioside"	"C17H24O12"	"420.1268"	"M+K+CF3COOH"	152.95602
"812012"	366.1943	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M"	0
"980078"	347.17591	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-H2O-H"	-19.01839
"63946"	243.122257333333	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M-3H"	-3.021828
"504596"	365.187024	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M-3H"	-3.021828
"880249"	121.057490666667	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-3H"	-3.021828
"975"	365.187024	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M-2H"	-2.014552
"443816"	548.284174	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M-2H"	-2.014552
"822711"	182.089874	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-2H"	-2.014552
"79423"	731.381324	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M-H"	-1.007276
"524456"	1097.575624	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M-H"	-1.007276
"902258"	365.187024	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-H"	-1.007276
"48974"	748.407871	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M-2H+NH4"	16.019271
"497290"	1114.602171	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M-2H+NH4"	16.019271
"869624"	382.213571	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-2H+NH4"	16.019271
"41899"	753.363266	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M-2H+Na"	20.974666
"478179"	1119.557566	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M-2H+Na"	20.974666
"857072"	387.168966	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-2H+Na"	20.974666
"1625511"	387.168966	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Na-2H"	20.974666
"98760"	383.175363	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M-H+Cl"	33.962126
"538319"	566.272513	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M-H+Cl"	33.962126
"928916"	200.078213	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-H+Cl"	33.962126
"275860"	767.358002	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+Cl"	34.969402
"671563"	1133.552302	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+Cl"	34.969402
"1282872"	401.163702	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Cl"	34.969402
"22148"	769.337206	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M-2H+K"	36.948606
"460616"	1135.531506	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M-2H+K"	36.948606
"840606"	403.142906	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-2H+K"	36.948606
"1556441"	403.142906	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+K-2H"	36.948606
"948699"	411.192494	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-H+HCOOH"	44.998194
"361888"	777.386801	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+HCOOH-H"	44.998201
"349703"	791.402451	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+Hac-H"	59.013851
"1498535"	425.208151	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Hac-H"	59.013851
"964984"	433.174451	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-H+NaCOOH"	66.980151
"116078"	401.163702	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+2Cl"	69.938804
"558927"	584.260852	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+2Cl"	69.938804
"1029912"	218.066552	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2Cl"	69.938804
"1251680"	445.113185	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Br"	78.918885
"1316314"	447.169172	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Cl+HCOOH"	80.974872
"1334911"	469.151129	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Cl+NaCOOH"	102.956829
"924510"	479.179886	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M-H+CF3COOH"	112.985586
"1303405"	515.156564	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Cl+CF3COOH"	148.962264
"1377552"	331.181624	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H-2H2O"	-35.012676
"1388487"	349.1916	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H-H2O"	-17.0027
"291454"	733.395876	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+H"	1.007276
"687158"	1099.590176	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+H"	1.007276
"1360223"	367.201576	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H"	1.007276
"133111"	367.201576	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+2H"	2.014552
"571577"	550.298726	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+2H"	2.014552
"1044750"	184.104426	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2H"	2.014552
"209369"	245.136809333333	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+3H"	3.021828
"651114"	367.201576	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+3H"	3.021828
"1164873"	123.072042666667	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+3H"	3.021828
"430332"	750.422423	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+NH4"	18.033823
"791328"	1116.616723	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+NH4"	18.033823
"1685833"	384.228123	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+NH4"	18.033823
"335932"	375.7148495	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+H+NH4"	19.041099
"728354"	558.8119995	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+H+NH4"	19.041099
"1481084"	192.6176995	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H+NH4"	19.041099
"393565"	755.377818	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+Na"	22.989218
"754805"	1121.572118	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+Na"	22.989218
"1603873"	389.183518	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Na"	22.989218
"314642"	378.192547	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+H+Na"	23.996494
"707793"	561.289697	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+H+Na"	23.996494
"1461992"	195.095397	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H+Na"	23.996494
"1057305"	130.399356666667	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2H+Na"	25.00377
"1267737"	399.227786	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+CH3OH+H"	33.033486
"386314"	771.351758	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+K"	38.963158
"747309"	1137.546058	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+K"	38.963158
"1546079"	405.157458	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+K"	38.963158
"305443"	386.179517	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+H+K"	39.970434
"700059"	569.276667	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+H+K"	39.970434
"1450596"	203.082367	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H+K"	39.970434
"246852"	774.422426	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+ACN+H"	42.033826
"1215188"	408.228126	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+ACN+H"	42.033826
"1196884"	204.617701	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+ACN+2H"	43.041102
"191942"	777.35976	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+2Na-H"	44.97116
"632597"	1143.55406	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+2Na-H"	44.97116
"1135009"	411.16546	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2Na-H"	44.97116
"173677"	389.183518	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+2Na"	45.978436
"614209"	572.280668	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+2Na"	45.978436
"1119179"	206.086368	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2Na"	45.978436
"1407079"	137.726670666667	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H+2Na"	46.985712
"1435914"	413.207046	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H+HCOOH"	47.012746
"223422"	394.21654	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+3H2O+2H"	56.04448
"1508806"	427.25909	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+H"	61.06479
"409344"	397.170488	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+Na+K"	61.952376
"774354"	580.267638	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+Na+K"	61.952376
"1666140"	214.073338	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Na+K"	61.952376
"253185"	796.404368	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+ACN+Na"	64.015768
"1227359"	430.210068	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+ACN+Na"	64.015768
"1716612"	430.233593	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+NH4+HCOOH"	64.039293
"1185248"	145.053984666667	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+3Na"	68.967654
"1654045"	435.188988	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Na+HCOOH"	68.994688
"160906"	809.30764	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+2K-H"	76.91904
"604844"	1175.50194	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+2K-H"	76.91904
"1094823"	443.11334	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2K-H"	76.91904
"146536"	405.157458	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"2M+2K"	77.926316
"592294"	588.254608	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"3M+2K"	77.926316
"1075712"	222.060308	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2K"	77.926316
"1104550"	445.127892	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2K+H"	78.933592
"1340933"	445.215507	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+DMSO+H"	79.021207
"1011652"	449.254676	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2ACN+H"	83.060376
"1527590"	450.248308	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+Na+H"	84.054008
"995138"	225.130976	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+2ACN+2H"	84.067652
"1597301"	451.162928	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+K+HCOOH"	84.968628
"1426244"	481.194438	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+H+CF3COOH"	115.000138
"1159813"	245.644251	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+3ACN+2H"	125.094202
"1709364"	498.220985	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+NH4+CF3COOH"	132.026685
"1647200"	503.17638	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+Na+CF3COOH"	136.98208
"1576289"	519.15032	"C11675"	"16-Methoxytabersonine"	"C22H26N2O3"	"366.1943"	"M+K+CF3COOH"	152.95602
"809935"	352.1787	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M"	0
"979095"	333.16031	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"64419"	233.778524	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"506163"	351.171424	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"892350"	116.385624	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"3270"	351.171424	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"447206"	527.260774	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"829381"	175.082074	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"82446"	703.350124	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"525659"	1055.528824	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"902368"	351.171424	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"50542"	720.376671	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"499587"	1072.555371	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"875201"	368.197971	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"42008"	725.332066	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"481569"	1077.510766	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"858275"	373.153366	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1632181"	373.153366	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"102150"	369.159763	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"542803"	545.249113	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"929757"	193.070413	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"277063"	739.326802	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"670580"	1091.505502	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1284075"	387.148102	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"24445"	741.306006	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"465099"	1093.484706	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"839622"	389.127306	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1556551"	389.127306	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"946623"	397.176894	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"363742"	749.355601	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"349813"	763.371251	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1496823"	411.192551	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"964002"	419.158851	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"116189"	387.148102	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"562317"	563.237452	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1032209"	211.058752	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1249604"	431.097585	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1315331"	433.153572	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1329546"	455.135529	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"925227"	465.164286	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1302057"	501.140964	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1378391"	317.166024	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1390784"	335.176	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"288284"	705.364676	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"689819"	1057.543376	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1364708"	353.185976	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"135408"	353.185976	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"574238"	529.275326	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1044131"	177.096626	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"212758"	235.793076	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"650496"	353.185976	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1166439"	118.400176	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"427890"	722.391223	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"792532"	1074.569923	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1688128"	370.212523	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"336407"	361.6992495	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"728830"	537.7885995	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1481192"	185.6098995	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"394043"	727.346618	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"755768"	1079.525318	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1604712"	375.167918	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"315363"	364.176947	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"707537"	540.266297	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1462223"	188.087597	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1059602"	125.72749	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1266754"	385.212186	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"386424"	743.320558	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"741951"	1095.499258	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1544366"	391.141858	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"304823"	372.163917	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"702355"	548.253267	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1450706"	196.074567	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"246962"	746.391226	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1216392"	394.212526	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1196628"	197.609901	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"190592"	749.32856	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"632707"	1101.50726	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1138399"	397.14986	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"176585"	375.167918	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"615778"	551.257268	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1116735"	199.078568	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1407189"	133.054804	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1436024"	399.191446	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"225719"	380.20094	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1509763"	413.24349	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"410182"	383.154888	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"772641"	559.244238	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1666088"	207.065538	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"252931"	768.373168	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1228561"	416.194468	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1716722"	416.217993	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1185358"	140.382118	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1655249"	421.173388	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"163203"	781.27644	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"608234"	1133.45514	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1094933"	429.09774	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"146282"	391.141858	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"591311"	567.231208	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1078009"	215.052508	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1105754"	431.112292	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1341044"	431.199907	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1011762"	435.239076	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1527700"	436.232708	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"995248"	218.123176	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1597411"	437.147328	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1423069"	467.178838	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1148982"	238.636451	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1708380"	484.205385	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1645123"	489.16078	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1576399"	505.13472	"C11676"	"Lochnericine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"810045"	368.1736	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M"	0
"980298"	349.15521	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"69630"	244.441790666667	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"509190"	367.166324	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"890273"	121.717257333333	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"6660"	367.166324	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"447316"	551.253124	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"824024"	183.079524	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"82923"	735.339924	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"529048"	1103.513524	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"904664"	367.166324	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"50288"	752.366471	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"496416"	1120.540071	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"875311"	384.192871	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"42118"	757.321866	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"480583"	1125.495466	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"855105"	389.148266	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1629011"	389.148266	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"102260"	385.154663	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"539633"	569.241463	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"929867"	201.067863	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"277173"	771.316602	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"671783"	1139.490202	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1284185"	403.143002	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"26742"	773.295806	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"465209"	1141.469406	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"839731"	405.122206	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1563223"	405.122206	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"946732"	413.171794	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"365311"	781.345401	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"351016"	795.361051	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1498756"	427.187451	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"963381"	435.153751	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"116299"	403.143002	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"563520"	587.229802	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1033412"	219.056202	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1251900"	447.092485	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1317993"	449.148472	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1328563"	471.130429	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"924731"	481.159186	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1302169"	517.135864	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1377044"	333.160924	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1390894"	351.1709	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"289486"	737.354476	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"687378"	1105.528076	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1361538"	369.180876	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"135518"	369.180876	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"575078"	553.267676	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1043876"	185.094076	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"212870"	246.456342666667	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"651335"	369.180876	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1166551"	123.731809333333	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"427637"	754.381023	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"788996"	1122.554623	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1683504"	386.207423	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"333967"	377.6941495	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"726390"	561.7809495	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1482400"	193.6073495	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"397793"	759.336418	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"754580"	1127.510018	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1605429"	391.162818	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"314372"	380.171847	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"707172"	564.258647	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1463305"	196.085047	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1062992"	131.059123333333	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1267950"	401.207086	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"383243"	775.310358	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"743149"	1143.483958	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1542654"	407.136758	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"304569"	388.158817	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"702466"	572.245617	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1454096"	204.072017	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"249259"	778.381026	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1219782"	410.207426	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1198198"	205.607351	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"191067"	781.31836	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"637192"	1149.49196	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1140697"	413.14476	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"176332"	391.162818	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"614794"	575.249618	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1120493"	207.076018	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1408392"	138.386437333333	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1440509"	415.186346	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"229108"	396.19584	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1508781"	429.23839	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"409199"	399.149788	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"775666"	583.236588	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1665836"	215.062988	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"252313"	800.362968	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1226846"	432.189368	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1715008"	432.212893	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1181819"	145.713751333333	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1652078"	437.168288	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"163313"	813.26624	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"605064"	1181.43984	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1091763"	445.09264	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"151859"	407.136758	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"589232"	591.223558	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1079212"	223.049958	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1105864"	447.107192	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1342247"	447.194807	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1011872"	451.233976	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1528903"	452.227608	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"992438"	226.120626	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1589858"	453.142228	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1417705"	483.173738	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1149456"	246.633901	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1708489"	500.200285	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1644140"	505.15568	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1576509"	521.12962	"C11677"	"Horhammericine"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"810155"	368.1736	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M"	0
"980408"	349.15521	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"65368"	244.441790666667	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"506020"	367.166324	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"887103"	121.717257333333	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"6770"	367.166324	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"447426"	551.253124	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"823040"	183.079524	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"80847"	735.339924	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"526972"	1103.513524	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"903681"	367.166324	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"49670"	752.366471	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"494339"	1120.540071	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"875421"	384.192871	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"42228"	757.321866	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"477413"	1125.495466	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"854122"	389.148266	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1624748"	389.148266	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"97996"	385.154663	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"538649"	569.241463	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"931070"	201.067863	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"268656"	771.316602	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"666425"	1139.490202	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1281014"	403.143002	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"23572"	773.295806	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"469692"	1141.469406	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"838748"	405.122206	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1560048"	405.122206	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"945749"	413.171794	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"366149"	781.345401	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"348210"	795.361051	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1497771"	427.187451	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"962034"	435.153751	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"115315"	403.143002	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"564604"	587.229802	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1033158"	219.056202	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1253103"	447.092485	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1318831"	449.148472	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1328673"	471.130429	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"925204"	481.159186	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1296440"	517.135864	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1377154"	333.160924	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1394284"	351.1709	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"288502"	737.354476	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"686759"	1105.528076	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1362743"	369.180876	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"135628"	369.180876	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"578104"	553.267676	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1047266"	185.094076	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"210794"	246.456342666667	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"650716"	369.180876	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1167391"	123.731809333333	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"427017"	754.381023	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"790565"	1122.554623	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1685070"	386.207423	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"332619"	377.6941495	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"726502"	561.7809495	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1480322"	193.6073495	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"398267"	759.336418	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"754485"	1127.510018	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1604445"	391.162818	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"314726"	380.171847	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"707161"	564.258647	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1464388"	196.085047	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1060914"	131.059123333333	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1262591"	401.207086	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"384443"	775.310358	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"746539"	1143.483958	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1542034"	407.136758	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"301032"	388.158817	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"702576"	572.245617	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1454206"	204.072017	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"244994"	778.381026	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1219892"	410.207426	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1197215"	205.607351	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"189269"	781.31836	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"637302"	1149.49196	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1137527"	413.14476	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"174010"	391.162818	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"613446"	575.249618	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1119510"	207.076018	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1407409"	138.386437333333	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1440619"	415.186346	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"227032"	396.19584	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1508645"	429.23839	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"408823"	399.149788	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"775776"	583.236588	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1666999"	215.062988	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"252060"	800.362968	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1228780"	432.189368	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1716210"	432.212893	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1183388"	145.713751333333	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1654739"	437.168288	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"163423"	813.26624	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"607361"	1181.43984	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1091873"	445.09264	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"151969"	407.136758	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"590435"	591.223558	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1080415"	223.049958	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1105973"	447.107192	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1343451"	447.194807	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1011982"	451.233976	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1530106"	452.227608	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"992548"	226.120626	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1592155"	453.142228	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1416722"	483.173738	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1149562"	246.633901	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1708599"	500.200285	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1644250"	505.15568	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1576619"	521.12962	"C11678"	"Dialdehyde"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"810265"	351.1709	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M"	0
"977238"	332.15251	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-H2O-H"	-19.01839
"65841"	233.106657333333	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M-3H"	-3.021828
"507224"	350.163624	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M-3H"	-3.021828
"886119"	116.049690666667	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-3H"	-3.021828
"7973"	350.163624	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M-2H"	-2.014552
"447536"	525.749074	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M-2H"	-2.014552
"825337"	174.578174	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-2H"	-2.014552
"87518"	701.334524	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M-H"	-1.007276
"527082"	1052.505424	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M-H"	-1.007276
"902698"	350.163624	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-H"	-1.007276
"51967"	718.361071	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M-2H+NH4"	16.019271
"496636"	1069.531971	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M-2H+NH4"	16.019271
"874437"	367.190171	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-2H+NH4"	16.019271
"44525"	723.316466	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M-2H+Na"	20.974666
"479711"	1074.487366	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M-2H+Na"	20.974666
"855326"	372.145566	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-2H+Na"	20.974666
"1624858"	372.145566	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Na-2H"	20.974666
"100294"	368.151963	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M-H+Cl"	33.962126
"543133"	543.737413	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M-H+Cl"	33.962126
"935554"	192.566513	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-H+Cl"	33.962126
"269738"	737.311202	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+Cl"	34.969402
"668722"	1088.482102	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+Cl"	34.969402
"1281124"	386.140302	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Cl"	34.969402
"23682"	739.290406	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M-2H+K"	36.948606
"468709"	1090.461306	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M-2H+K"	36.948606
"846148"	388.119506	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-2H+K"	36.948606
"1563439"	388.119506	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+K-2H"	36.948606
"948044"	396.169094	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-H+HCOOH"	44.998194
"367353"	747.340001	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+HCOOH-H"	44.998201
"351235"	761.355651	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+Hac-H"	59.013851
"1497881"	410.184751	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Hac-H"	59.013851
"962144"	418.151051	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-H+NaCOOH"	66.980151
"114332"	386.140302	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+2Cl"	69.938804
"560460"	561.725752	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+2Cl"	69.938804
"1028165"	210.554852	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2Cl"	69.938804
"1252120"	430.089785	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Br"	78.918885
"1315661"	432.145772	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Cl+HCOOH"	80.974872
"1327689"	454.127729	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Cl+NaCOOH"	102.956829
"926044"	464.156486	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M-H+CF3COOH"	112.985586
"1298737"	500.133164	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Cl+CF3COOH"	148.962264
"1378357"	316.158224	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H-2H2O"	-35.012676
"1394030"	334.1682	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H-H2O"	-17.0027
"290799"	703.349076	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+H"	1.007276
"686505"	1054.519976	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+H"	1.007276
"1363583"	352.178176	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H"	1.007276
"139384"	352.178176	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+2H"	2.014552
"577485"	527.763626	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+2H"	2.014552
"1046283"	176.592726	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2H"	2.014552
"211632"	235.121209333333	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+3H"	3.021828
"653742"	352.178176	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+3H"	3.021828
"1168595"	118.064242666667	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+3H"	3.021828
"429676"	720.375623	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+NH4"	18.033823
"789945"	1071.546523	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+NH4"	18.033823
"1690285"	369.204723	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+NH4"	18.033823
"334189"	360.6914495	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+H+NH4"	19.041099
"726612"	536.2768995	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+H+NH4"	19.041099
"1485899"	185.1059995	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H+NH4"	19.041099
"393766"	725.331018	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+Na"	22.989218
"755736"	1076.501918	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+Na"	22.989218
"1603833"	374.160118	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Na"	22.989218
"315447"	363.169147	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+H+Na"	23.996494
"707667"	538.754597	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+H+Na"	23.996494
"1466685"	187.583697	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H+Na"	23.996494
"1058837"	125.391556666667	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2H+Na"	25.00377
"1262701"	384.204386	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+CH3OH+H"	33.033486
"383461"	741.304958	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+K"	38.963158
"741182"	1092.475858	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+K"	38.963158
"1540687"	390.134058	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+K"	38.963158
"301509"	371.156117	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+H+K"	39.970434
"703779"	546.741567	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+H+K"	39.970434
"1455410"	195.570667	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H+K"	39.970434
"245105"	744.375626	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+ACN+H"	42.033826
"1218909"	393.204726	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+ACN+H"	42.033826
"1196595"	197.106001	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+ACN+2H"	43.041102
"189579"	747.31296	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+2Na-H"	44.97116
"630120"	1098.48386	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+2Na-H"	44.97116
"1134357"	396.14206	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2Na-H"	44.97116
"174121"	374.160118	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+2Na"	45.978436
"613799"	549.745568	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+2Na"	45.978436
"1116087"	198.574668	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2Na"	45.978436
"1404237"	132.718870666667	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H+2Na"	46.985712
"1437447"	398.183646	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H+HCOOH"	47.012746
"223861"	379.19314	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+3H2O+2H"	56.04448
"1509119"	412.23569	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+IsoProp+H"	61.06479
"411243"	382.147088	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+Na+K"	61.952376
"775886"	557.732538	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+Na+K"	61.952376
"1667111"	206.561638	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Na+K"	61.952376
"253994"	766.357568	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+ACN+Na"	64.015768
"1227795"	415.186668	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+ACN+Na"	64.015768
"1718142"	415.210193	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+NH4+HCOOH"	64.039293
"1182766"	140.046184666667	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+3Na"	68.967654
"1653751"	420.165588	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Na+HCOOH"	68.994688
"163532"	779.26084	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+2K-H"	76.91904
"604187"	1130.43174	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+2K-H"	76.91904
"1093075"	428.08994	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2K-H"	76.91904
"148796"	390.134058	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"2M+2K"	77.926316
"589449"	565.719508	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"3M+2K"	77.926316
"1078339"	214.548608	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2K"	77.926316
"1108271"	430.104492	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2K+H"	78.933592
"1341375"	430.192107	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+DMSO+H"	79.021207
"1012092"	434.231276	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2ACN+H"	83.060376
"1529123"	435.224908	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+IsoProp+Na+H"	84.054008
"990470"	217.619276	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+2ACN+2H"	84.067652
"1587891"	436.139528	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+K+HCOOH"	84.968628
"1415374"	466.171038	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+H+CF3COOH"	115.000138
"1148214"	238.132551	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+3ACN+2H"	125.094202
"1708709"	483.197585	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+NH4+CF3COOH"	132.026685
"1644360"	488.15298	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+Na+CF3COOH"	136.98208
"1576729"	504.12692	"C11679"	"421-Dehydrocorynantheine aldehyde"	"C21H23N2O3"	"351.1709"	"M+K+CF3COOH"	152.95602
"810375"	350.163	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M"	0
"977348"	331.14461	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-H2O-H"	-19.01839
"64859"	232.434724	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M-3H"	-3.021828
"512802"	349.155724	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M-3H"	-3.021828
"890603"	115.713724	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-3H"	-3.021828
"8083"	349.155724	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H"	-2.014552
"450927"	524.237224	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H"	-2.014552
"825447"	174.074224	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H"	-2.014552
"89816"	699.318724	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M-H"	-1.007276
"526099"	1049.481724	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M-H"	-1.007276
"901714"	349.155724	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-H"	-1.007276
"53899"	716.345271	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H+NH4"	16.019271
"495651"	1066.508271	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H+NH4"	16.019271
"872361"	366.182271	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H+NH4"	16.019271
"39167"	721.300666	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H+Na"	20.974666
"479821"	1071.463666	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H+Na"	20.974666
"855436"	371.137666	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H+Na"	20.974666
"1622780"	371.137666	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na-2H"	20.974666
"99309"	367.144063	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M-H+Cl"	33.962126
"536682"	542.225563	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M-H+Cl"	33.962126
"930195"	192.062563	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+Cl"	33.962126
"268755"	735.295402	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Cl"	34.969402
"667739"	1085.458402	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+Cl"	34.969402
"1282328"	385.132402	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl"	34.969402
"24885"	737.274606	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H+K"	36.948606
"466633"	1087.437606	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H+K"	36.948606
"841154"	387.111606	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H+K"	36.948606
"1562455"	387.111606	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+K-2H"	36.948606
"943902"	395.161194	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+HCOOH"	44.998194
"367463"	745.324201	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+HCOOH-H"	44.998201
"348066"	759.339851	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Hac-H"	59.013851
"1496898"	409.176851	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Hac-H"	59.013851
"965534"	417.143151	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+NaCOOH"	66.980151
"116628"	385.132402	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2Cl"	69.938804
"556197"	560.213902	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2Cl"	69.938804
"1024995"	210.050902	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2Cl"	69.938804
"1252230"	429.081885	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Br"	78.918885
"1312491"	431.137872	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl+HCOOH"	80.974872
"1325613"	453.119829	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl+NaCOOH"	102.956829
"922139"	463.148586	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+CF3COOH"	112.985586
"1292285"	499.125264	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl+CF3COOH"	148.962264
"1374822"	315.150324	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H-2H2O"	-35.012676
"1386121"	333.1603	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H-H2O"	-17.0027
"290909"	701.333276	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H"	1.007276
"688802"	1051.496276	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H"	1.007276
"1363692"	351.170276	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H"	1.007276
"139129"	351.170276	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2H"	2.014552
"575408"	526.251776	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2H"	2.014552
"1046394"	176.088776	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2H"	2.014552
"214294"	234.449276	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+3H"	3.021828
"654947"	351.170276	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+3H"	3.021828
"1168705"	117.728276	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+3H"	3.021828
"429423"	718.359823	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+NH4"	18.033823
"790784"	1068.522823	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+NH4"	18.033823
"1687114"	368.196823	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+NH4"	18.033823
"336488"	359.6835495	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H+NH4"	19.041099
"728909"	534.7650495	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H+NH4"	19.041099
"1488196"	184.6020495	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+NH4"	19.041099
"394120"	723.315218	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Na"	22.989218
"759126"	1073.478218	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+Na"	22.989218
"1606131"	373.152218	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na"	22.989218
"315800"	362.161247	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H+Na"	23.996494
"708100"	537.242747	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H+Na"	23.996494
"1469711"	187.079747	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+Na"	23.996494
"1058947"	125.05559	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2H+Na"	25.00377
"1267912"	383.196486	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+CH3OH+H"	33.033486
"384664"	739.289158	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+K"	38.963158
"744572"	1089.452158	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+K"	38.963158
"1540798"	389.126158	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+K"	38.963158
"301255"	370.148217	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H+K"	39.970434
"700604"	545.229717	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H+K"	39.970434
"1453335"	195.066717	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+K"	39.970434
"245215"	742.359826	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+ACN+H"	42.033826
"1213548"	392.196826	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+ACN+H"	42.033826
"1200713"	196.602051	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+ACN+2H"	43.041102
"191030"	745.29716	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2Na-H"	44.97116
"632047"	1095.46016	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2Na-H"	44.97116
"1134588"	395.13416	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2Na-H"	44.97116
"172910"	373.152218	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2Na"	45.978436
"612934"	548.233718	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2Na"	45.978436
"1115749"	198.070718	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2Na"	45.978436
"1404347"	132.382904	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+2Na"	46.985712
"1436464"	397.175746	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+HCOOH"	47.012746
"223971"	378.18524	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+3H2O+2H"	56.04448
"1508577"	411.22779	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+IsoProp+H"	61.06479
"410625"	381.139188	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Na+K"	61.952376
"778183"	556.220688	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+Na+K"	61.952376
"1667952"	206.057688	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na+K"	61.952376
"253378"	764.341768	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+ACN+Na"	64.015768
"1229367"	414.178768	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+ACN+Na"	64.015768
"1724813"	414.202293	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+NH4+HCOOH"	64.039293
"1184700"	139.710218	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+3Na"	68.967654
"1655685"	419.157688	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na+HCOOH"	68.994688
"166923"	777.24504	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2K-H"	76.91904
"605390"	1127.40804	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2K-H"	76.91904
"1092090"	427.08204	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2K-H"	76.91904
"146718"	389.126158	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2K"	77.926316
"588465"	564.207658	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2K"	77.926316
"1072978"	214.044658	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2K"	77.926316
"1110564"	429.096592	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2K+H"	78.933592
"1343667"	429.184207	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+DMSO+H"	79.021207
"1013296"	433.223376	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2ACN+H"	83.060376
"1529233"	434.217008	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+IsoProp+Na+H"	84.054008
"991675"	217.115326	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+2ACN+2H"	84.067652
"1589094"	435.131628	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+K+HCOOH"	84.968628
"1418038"	465.163138	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+CF3COOH"	115.000138
"1149417"	237.628601	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+3ACN+2H"	125.094202
"1706632"	482.189685	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+NH4+CF3COOH"	132.026685
"1647750"	487.14508	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na+CF3COOH"	136.98208
"1573559"	503.11902	"C11680"	"Cathenamine"	"C21H22N2O3"	"350.163"	"M+K+CF3COOH"	152.95602
"815953"	350.163	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M"	0
"980739"	331.14461	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-H2O-H"	-19.01839
"67883"	232.434724	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M-3H"	-3.021828
"512912"	349.155724	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M-3H"	-3.021828
"892900"	115.713724	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-3H"	-3.021828
"4913"	349.155724	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H"	-2.014552
"448850"	524.237224	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H"	-2.014552
"824463"	174.074224	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H"	-2.014552
"89925"	699.318724	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M-H"	-1.007276
"522928"	1049.481724	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M-H"	-1.007276
"899637"	349.155724	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-H"	-1.007276
"51823"	716.345271	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H+NH4"	16.019271
"492482"	1066.508271	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H+NH4"	16.019271
"871377"	366.182271	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H+NH4"	16.019271
"38183"	721.300666	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H+Na"	20.974666
"481023"	1071.463666	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H+Na"	20.974666
"854452"	371.137666	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H+Na"	20.974666
"1626170"	371.137666	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na-2H"	20.974666
"99419"	367.144063	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M-H+Cl"	33.962126
"537885"	542.225563	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M-H+Cl"	33.962126
"932490"	192.062563	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+Cl"	33.962126
"269229"	735.295402	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Cl"	34.969402
"664567"	1085.458402	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+Cl"	34.969402
"1278064"	385.132402	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl"	34.969402
"27181"	737.274606	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M-2H+K"	36.948606
"467836"	1087.437606	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M-2H+K"	36.948606
"844544"	387.111606	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-2H+K"	36.948606
"1563658"	387.111606	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+K-2H"	36.948606
"944984"	395.161194	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+HCOOH"	44.998194
"367573"	745.324201	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+HCOOH-H"	44.998201
"349269"	759.339851	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Hac-H"	59.013851
"1497008"	409.176851	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Hac-H"	59.013851
"965644"	417.143151	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+NaCOOH"	66.980151
"117831"	385.132402	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2Cl"	69.938804
"560679"	560.213902	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2Cl"	69.938804
"1026198"	210.050902	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2Cl"	69.938804
"1253433"	429.081885	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Br"	78.918885
"1312600"	431.137872	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl+HCOOH"	80.974872
"1329002"	453.119829	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl+NaCOOH"	102.956829
"921156"	463.148586	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M-H+CF3COOH"	112.985586
"1296767"	499.125264	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Cl+CF3COOH"	148.962264
"1377118"	315.150324	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H-2H2O"	-35.012676
"1391333"	333.1603	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H-H2O"	-17.0027
"289925"	701.333276	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H"	1.007276
"687818"	1051.496276	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H"	1.007276
"1360885"	351.170276	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H"	1.007276
"138145"	351.170276	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2H"	2.014552
"573331"	526.251776	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2H"	2.014552
"1044317"	176.088776	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2H"	2.014552
"211124"	234.449276	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+3H"	3.021828
"653963"	351.170276	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+3H"	3.021828
"1174282"	117.728276	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+3H"	3.021828
"430994"	718.359823	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+NH4"	18.033823
"794175"	1068.522823	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+NH4"	18.033823
"1689411"	368.196823	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+NH4"	18.033823
"342065"	359.6835495	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H+NH4"	19.041099
"734486"	534.7650495	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H+NH4"	19.041099
"1489766"	184.6020495	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+NH4"	19.041099
"393040"	723.315218	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Na"	22.989218
"761421"	1073.478218	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+Na"	22.989218
"1611708"	373.152218	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na"	22.989218
"315304"	362.161247	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H+Na"	23.996494
"707602"	537.242747	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H+Na"	23.996494
"1462401"	187.079747	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+Na"	23.996494
"1053212"	125.05559	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2H+Na"	25.00377
"1257444"	383.196486	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+CH3OH+H"	33.033486
"381492"	739.289158	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+K"	38.963158
"744679"	1089.452158	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+K"	38.963158
"1544916"	389.126158	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+K"	38.963158
"305009"	370.148217	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+H+K"	39.970434
"700714"	545.229717	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+H+K"	39.970434
"1454538"	195.066717	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+K"	39.970434
"243139"	742.359826	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+ACN+H"	42.033826
"1214751"	392.196826	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+ACN+H"	42.033826
"1197540"	196.602051	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+ACN+2H"	43.041102
"190046"	745.29716	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2Na-H"	44.97116
"632157"	1095.46016	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2Na-H"	44.97116
"1134577"	395.13416	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2Na-H"	44.97116
"172871"	373.152218	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2Na"	45.978436
"613045"	548.233718	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2Na"	45.978436
"1116070"	198.070718	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2Na"	45.978436
"1407738"	132.382904	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+2Na"	46.985712
"1436573"	397.175746	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+HCOOH"	47.012746
"220921"	378.18524	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+3H2O+2H"	56.04448
"1508775"	411.22779	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+IsoProp+H"	61.06479
"408869"	381.139188	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+Na+K"	61.952376
"781573"	556.220688	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+Na+K"	61.952376
"1667331"	206.057688	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na+K"	61.952376
"254581"	764.341768	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+ACN+Na"	64.015768
"1233849"	414.178768	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+ACN+Na"	64.015768
"1720549"	414.202293	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+NH4+HCOOH"	64.039293
"1185903"	139.710218	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+3Na"	68.967654
"1654702"	419.157688	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na+HCOOH"	68.994688
"169219"	777.24504	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2K-H"	76.91904
"607686"	1127.40804	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2K-H"	76.91904
"1088917"	427.08204	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2K-H"	76.91904
"142452"	389.126158	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"2M+2K"	77.926316
"586387"	564.207658	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"3M+2K"	77.926316
"1074181"	214.044658	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2K"	77.926316
"1110674"	429.096592	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2K+H"	78.933592
"1342684"	429.184207	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+DMSO+H"	79.021207
"1014498"	433.223376	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2ACN+H"	83.060376
"1529342"	434.217008	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+IsoProp+Na+H"	84.054008
"991421"	217.115326	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+2ACN+2H"	84.067652
"1591393"	435.131628	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+K+HCOOH"	84.968628
"1415233"	465.163138	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+H+CF3COOH"	115.000138
"1147826"	237.628601	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+3ACN+2H"	125.094202
"1705649"	482.189685	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+NH4+CF3COOH"	132.026685
"1641299"	487.14508	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+Na+CF3COOH"	136.98208
"1573669"	503.11902	"C11681"	"19-epi-Cathenamine"	"C21H22N2O3"	"350.163"	"M+K+CF3COOH"	152.95602
"810595"	352.1787	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M"	0
"981942"	333.16031	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"64716"	233.778524	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"510835"	351.171424	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"894103"	116.385624	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"9397"	351.171424	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"448960"	527.260774	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"826760"	175.082074	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"83475"	703.350124	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"523038"	1055.528824	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"899747"	351.171424	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"53026"	720.376671	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"494779"	1072.555371	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"876955"	368.197971	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"38293"	725.332066	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"481133"	1077.510766	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"856748"	373.153366	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1629560"	373.153366	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"101715"	369.159763	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"543462"	545.249113	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"936975"	193.070413	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"272619"	739.326802	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"665770"	1091.505502	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1281454"	387.148102	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"27291"	741.306006	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"468676"	1093.484706	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"844654"	389.127306	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1563768"	389.127306	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"946916"	397.176894	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"365860"	749.355601	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"349743"	763.371251	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1498212"	411.192551	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"966847"	419.158851	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"121222"	387.148102	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"555318"	563.237452	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1028494"	211.058752	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1253543"	431.097585	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1311617"	433.153572	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1330571"	455.135529	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"924182"	465.164286	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1297972"	501.140964	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1377224"	317.166024	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1392535"	335.176	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"287847"	705.364676	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"687565"	1057.543376	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1360995"	353.185976	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"132788"	353.185976	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"572348"	529.275326	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1046614"	177.096626	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"214514"	235.793076	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"655167"	353.185976	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1175486"	118.400176	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"432197"	722.391223	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"795379"	1074.569923	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1691708"	370.212523	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"342175"	361.6992495	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"734231"	537.7885995	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1488416"	185.6098995	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"408316"	727.346618	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"769518"	1079.525318	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1610724"	375.167918	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"315536"	364.176947	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"707591"	540.266297	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1462390"	188.087597	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1053563"	125.72749	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1257191"	385.212186	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"383789"	743.320558	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"744788"	1095.499258	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1547943"	391.141858	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"308398"	372.163917	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"700824"	548.253267	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1457927"	196.074567	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"246528"	746.391226	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1217048"	394.212526	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1197651"	197.609901	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"192709"	749.32856	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"636641"	1101.50726	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1132499"	397.14986	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"173111"	375.167918	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"613766"	551.257268	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1116180"	199.078568	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1406755"	133.054804	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1436683"	399.191446	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"221394"	380.20094	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1509454"	413.24349	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"409870"	383.154888	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"781683"	559.244238	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1669264"	207.065538	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"260158"	768.373168	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1237240"	416.194468	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1721753"	416.217993	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1184920"	140.382118	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1654812"	421.173388	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"169329"	781.27644	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"607796"	1133.45514	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1089027"	429.09774	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"144749"	391.141858	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"586497"	567.231208	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1076477"	215.052508	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1109690"	431.112292	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1346074"	431.199907	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1012422"	435.239076	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1529452"	436.232708	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"991895"	218.123176	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1591503"	437.147328	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1417166"	467.178838	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1147693"	238.636451	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1711227"	484.205385	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1647970"	489.16078	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1574872"	505.13472	"C11682"	"Tetrahydroalstonine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"813985"	352.1787	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M"	0
"979864"	333.16031	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"67012"	233.778524	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"516412"	351.171424	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"889839"	116.385624	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"8414"	351.171424	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"446883"	527.260774	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"825776"	175.082074	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"85771"	703.350124	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"520596"	1055.528824	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"898033"	351.171424	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"55323"	720.376671	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"497076"	1072.555371	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"875972"	368.197971	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"40590"	725.332066	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"481243"	1077.510766	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"855765"	373.153366	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1627483"	373.153366	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"101825"	369.159763	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"541385"	545.249113	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"933804"	193.070413	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"273458"	739.326802	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"666973"	1091.505502	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1283751"	387.148102	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"25216"	741.306006	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"467329"	1093.484706	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"844764"	389.127306	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1567158"	389.127306	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"949579"	397.176894	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"372533"	749.355601	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"350582"	763.371251	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1504520"	411.192551	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"966957"	419.158851	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"119875"	387.148102	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"558710"	563.237452	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1031885"	211.058752	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1254747"	431.097585	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1313914"	433.153572	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1330314"	455.135529	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"923199"	465.164286	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1298082"	501.140964	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1377335"	317.166024	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1392645"	335.176	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"289051"	705.364676	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"680377"	1057.543376	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1361834"	353.185976	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"135085"	353.185976	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"574645"	529.275326	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1046724"	177.096626	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"217540"	235.793076	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"657830"	353.185976	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1169035"	118.400176	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"432307"	722.391223	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"795489"	1074.569923	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1688538"	370.212523	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"340099"	361.6992495	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"731426"	537.7885995	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1489257"	185.6098995	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"403926"	727.346618	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"767839"	1079.525318	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1606460"	375.167918	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"314672"	364.176947	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"707337"	540.266297	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1462257"	188.087597	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1053184"	125.72749	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1257502"	385.212186	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"378431"	743.320558	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"743804"	1095.499258	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1551334"	391.141858	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"311790"	372.163917	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"700934"	548.253267	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1455845"	196.074567	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"247729"	746.391226	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1220438"	394.212526	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1204322"	197.609901	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"197193"	749.32856	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"640762"	1101.50726	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1134796"	397.14986	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"176992"	375.167918	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"614728"	551.257268	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1116776"	199.078568	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1406865"	133.054804	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1436793"	399.191446	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"222477"	380.20094	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1511630"	413.24349	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"414235"	383.154888	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"781793"	559.244238	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1674842"	207.065538	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"264642"	768.373168	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1239538"	416.194468	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1725143"	416.217993	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1186123"	140.382118	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1656379"	421.173388	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"171626"	781.27644	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"610093"	1133.45514	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1091324"	429.09774	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"147045"	391.141858	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"594263"	567.231208	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1078776"	215.052508	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1111986"	431.112292	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1348371"	431.199907	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1014714"	435.239076	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1530656"	436.232708	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"994553"	218.123176	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1589425"	437.147328	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1419461"	467.178838	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1148655"	238.636451	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1709150"	484.205385	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1644800"	489.16078	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1577169"	505.13472	"C11683"	"19-epi-Ajmalicine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"810815"	573.2257	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M"	0
"976694"	554.20731	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-H2O-H"	-19.01839
"63841"	381.143190666667	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M-3H"	-3.021828
"509961"	572.218424	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M-3H"	-3.021828
"885576"	190.067957333333	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-3H"	-3.021828
"6337"	572.218424	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M-2H"	-2.014552
"443712"	858.831274	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M-2H"	-2.014552
"822606"	285.605574	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-2H"	-2.014552
"80415"	1145.444124	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M-H"	-1.007276
"518559"	1718.669824	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M-H"	-1.007276
"898869"	572.218424	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-H"	-1.007276
"52151"	1162.470671	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M-2H+NH4"	16.019271
"497186"	1735.696371	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M-2H+NH4"	16.019271
"868788"	589.244971	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-2H+NH4"	16.019271
"33409"	1167.426066	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M-2H+Na"	20.974666
"474061"	1740.651766	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M-2H+Na"	20.974666
"851500"	594.200366	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-2H+Na"	20.974666
"1622125"	594.200366	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Na-2H"	20.974666
"97925"	590.206763	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M-H+Cl"	33.962126
"534933"	876.819613	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M-H+Cl"	33.962126
"927838"	303.593913	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-H+Cl"	33.962126
"272473"	1181.420802	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+Cl"	34.969402
"664897"	1754.646502	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+Cl"	34.969402
"1278393"	608.195102	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Cl"	34.969402
"25325"	1183.400006	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M-2H+K"	36.948606
"467073"	1756.625706	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M-2H+K"	36.948606
"841594"	610.174306	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-2H+K"	36.948606
"1562894"	610.174306	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+K-2H"	36.948606
"946409"	618.223894	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-H+HCOOH"	44.998194
"366811"	1191.449601	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+HCOOH-H"	44.998201
"348506"	1205.465251	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+Hac-H"	59.013851
"1501713"	632.239551	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Hac-H"	59.013851
"967067"	640.205851	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-H+NaCOOH"	66.980151
"119255"	608.195102	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+2Cl"	69.938804
"558820"	894.807952	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+2Cl"	69.938804
"1029808"	321.582252	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2Cl"	69.938804
"1252670"	652.144585	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Br"	78.918885
"1315117"	654.200572	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Cl+HCOOH"	80.974872
"1327143"	676.182529	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Cl+NaCOOH"	102.956829
"923673"	686.211286	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M-H+CF3COOH"	112.985586
"1297098"	722.187964	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Cl+CF3COOH"	148.962264
"1374165"	538.213024	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H-2H2O"	-35.012676
"1388380"	556.223	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H-H2O"	-17.0027
"286608"	1147.458676	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+H"	1.007276
"679029"	1720.684376	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+H"	1.007276
"1354649"	574.232976	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H"	1.007276
"131915"	574.232976	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+2H"	2.014552
"572568"	860.845826	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+2H"	2.014552
"1046834"	287.620126	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2H"	2.014552
"212547"	383.157742666667	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+3H"	3.021828
"655387"	574.232976	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+3H"	3.021828
"1165499"	192.082509333333	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+3H"	3.021828
"426950"	1164.485223	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+NH4"	18.033823
"790130"	1737.710923	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+NH4"	18.033823
"1684273"	591.259523	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+NH4"	18.033823
"332554"	582.7462495	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+H+NH4"	19.041099
"724003"	869.3590995	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+H+NH4"	19.041099
"1479889"	296.1333995	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H+NH4"	19.041099
"402942"	1169.440618	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+Na"	22.989218
"765031"	1742.666318	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+Na"	22.989218
"1604137"	596.214918	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Na"	22.989218
"314659"	585.223947	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+H+Na"	23.996494
"707200"	871.836797	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+H+Na"	23.996494
"1463208"	298.611097	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H+Na"	23.996494
"1053538"	199.409823333333	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2H+Na"	25.00377
"1257130"	606.259186	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+CH3OH+H"	33.033486
"377481"	1185.414558	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+K"	38.963158
"741727"	1758.640258	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+K"	38.963158
"1549255"	612.188858	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+K"	38.963158
"308618"	593.210917	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+H+K"	39.970434
"701045"	879.823767	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+H+K"	39.970434
"1453767"	306.598067	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H+K"	39.970434
"246745"	1188.485226	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+ACN+H"	42.033826
"1220549"	615.259526	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+ACN+H"	42.033826
"1202245"	308.133401	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+ACN+2H"	43.041102
"197303"	1191.42256	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+2Na-H"	44.97116
"640143"	1764.64826	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+2Na-H"	44.97116
"1135996"	618.19686	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2Na-H"	44.97116
"172936"	596.214918	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+2Na"	45.978436
"613865"	882.827768	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+2Na"	45.978436
"1117373"	309.602068	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2Na"	45.978436
"1408068"	206.737137333333	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H+2Na"	46.985712
"1436903"	620.238446	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H+HCOOH"	47.012746
"222951"	601.24794	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+3H2O+2H"	56.04448
"1511376"	634.29049	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+IsoProp+H"	61.06479
"412156"	604.201888	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+Na+K"	61.952376
"775342"	890.814738	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+Na+K"	61.952376
"1671672"	317.589038	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Na+K"	61.952376
"257461"	1210.467168	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+ACN+Na"	64.015768
"1235273"	637.241468	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+ACN+Na"	64.015768
"1725253"	637.264993	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+NH4+HCOOH"	64.039293
"1186233"	214.064451333333	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+3Na"	68.967654
"1655396"	642.220388	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Na+HCOOH"	68.994688
"172425"	1223.37044	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+2K-H"	76.91904
"606923"	1796.59614	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+2K-H"	76.91904
"1092528"	650.14474	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2K-H"	76.91904
"145333"	612.188858	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"2M+2K"	77.926316
"593280"	898.801708	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"3M+2K"	77.926316
"1082045"	325.576008	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2K"	77.926316
"1113190"	652.159292	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2K+H"	78.933592
"1346294"	652.246907	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+DMSO+H"	79.021207
"1013732"	656.286076	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2ACN+H"	83.060376
"1528578"	657.279708	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+IsoProp+Na+H"	84.054008
"992842"	328.646676	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+2ACN+2H"	84.067652
"1588196"	658.194328	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+K+HCOOH"	84.968628
"1416291"	688.225838	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+H+CF3COOH"	115.000138
"1147101"	349.159951	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+3ACN+2H"	125.094202
"1703793"	705.252385	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+NH4+CF3COOH"	132.026685
"1641630"	710.20778	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+Na+CF3COOH"	136.98208
"1573999"	726.18172	"C11684"	"MET-enkephalin;Methionine enkephalin"	"C27H35N5O7S"	"573.2257"	"M+K+CF3COOH"	152.95602
"807645"	271.0531	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M"	0
"976804"	252.03471	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-H2O-H"	-19.01839
"63071"	179.694790666667	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M-3H"	-3.021828
"506791"	270.045824	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M-3H"	-3.021828
"883499"	89.3437573333333	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-3H"	-3.021828
"5354"	270.045824	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M-2H"	-2.014552
"446008"	405.572374	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M-2H"	-2.014552
"830373"	134.519274	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-2H"	-2.014552
"79186"	541.098924	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M-H"	-1.007276
"519233"	812.152024	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M-H"	-1.007276
"897641"	270.045824	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-H"	-1.007276
"51167"	558.125471	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M-2H+NH4"	16.019271
"498389"	829.178571	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M-2H+NH4"	16.019271
"867441"	287.072371	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-2H+NH4"	16.019271
"32790"	563.080866	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M-2H+Na"	20.974666
"473077"	834.133966	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M-2H+Na"	20.974666
"851610"	292.027766	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-2H+Na"	20.974666
"1621506"	292.027766	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Na-2H"	20.974666
"97671"	288.034163	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M-H+Cl"	33.962126
"535407"	423.560713	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M-H+Cl"	33.962126
"928069"	152.507613	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-H+Cl"	33.962126
"272583"	577.075602	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+Cl"	34.969402
"665007"	848.128702	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+Cl"	34.969402
"1278503"	306.022502	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Cl"	34.969402
"24342"	579.054806	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M-2H+K"	36.948606
"467549"	850.107906	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M-2H+K"	36.948606
"841704"	308.001706	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-2H+K"	36.948606
"1565191"	308.001706	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+K-2H"	36.948606
"946519"	316.051294	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-H+HCOOH"	44.998194
"365826"	587.104401	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+HCOOH-H"	44.998201
"350802"	601.120051	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+Hac-H"	59.013851
"1496356"	330.066951	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Hac-H"	59.013851
"966813"	338.033251	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-H+NaCOOH"	66.980151
"119365"	306.022502	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+2Cl"	69.938804
"557836"	441.549052	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+2Cl"	69.938804
"1033198"	170.495952	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2Cl"	69.938804
"1251686"	349.971985	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Br"	78.918885
"1315227"	352.027972	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Cl+HCOOH"	80.974872
"1327253"	374.009929	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Cl+NaCOOH"	102.956829
"923783"	384.038686	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M-H+CF3COOH"	112.985586
"1296480"	420.015364	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Cl+CF3COOH"	148.962264
"1374275"	236.040424	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H-2H2O"	-35.012676
"1388490"	254.0504	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H-H2O"	-17.0027
"288176"	543.113476	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+H"	1.007276
"679139"	814.166576	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+H"	1.007276
"1354030"	272.060376	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H"	1.007276
"132025"	272.060376	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+2H"	2.014552
"572678"	407.586926	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+2H"	2.014552
"1046944"	136.533826	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2H"	2.014552
"214844"	181.709342666667	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+3H"	3.021828
"657685"	272.060376	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+3H"	3.021828
"1165975"	91.3583093333333	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+3H"	3.021828
"427059"	560.140023	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+NH4"	18.033823
"790240"	831.193123	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+NH4"	18.033823
"1682195"	289.086923	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+NH4"	18.033823
"332662"	280.5736495	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+H+NH4"	19.041099
"729459"	416.1001995	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+H+NH4"	19.041099
"1481093"	145.0470995	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H+NH4"	19.041099
"397584"	565.095418	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+Na"	22.989218
"764048"	836.148518	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+Na"	22.989218
"1611053"	294.042318	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Na"	22.989218
"314525"	283.051347	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+H+Na"	23.996494
"707267"	418.577897	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+H+Na"	23.996494
"1462103"	147.524797	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H+Na"	23.996494
"1053116"	98.6856233333333	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2H+Na"	25.00377
"1257266"	304.086586	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+CH3OH+H"	33.033486
"377677"	581.069358	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+K"	38.963158
"742201"	852.122458	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+K"	38.963158
"1546084"	310.016258	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+K"	38.963158
"307634"	291.038317	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+H+K"	39.970434
"700062"	426.564867	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+H+K"	39.970434
"1453877"	155.511767	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H+K"	39.970434
"247948"	584.140026	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+ACN+H"	42.033826
"1224544"	313.086926	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+ACN+H"	42.033826
"1201261"	157.047101	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+ACN+2H"	43.041102
"195226"	587.07736	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+2Na-H"	44.97116
"639158"	858.13046	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+2Na-H"	44.97116
"1133917"	316.02426	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2Na-H"	44.97116
"173557"	294.042318	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+2Na"	45.978436
"612870"	429.568868	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+2Na"	45.978436
"1116381"	158.515768	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2Na"	45.978436
"1404897"	106.012937333333	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H+2Na"	46.985712
"1431179"	318.065846	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H+HCOOH"	47.012746
"221967"	299.07534	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+3H2O+2H"	56.04448
"1508567"	332.11789	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+IsoProp+H"	61.06479
"409714"	302.029288	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+Na+K"	61.952376
"775451"	437.555838	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+Na+K"	61.952376
"1673968"	166.502738	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Na+K"	61.952376
"257207"	606.121968	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+ACN+Na"	64.015768
"1233560"	335.068868	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+ACN+Na"	64.015768
"1725363"	335.092393	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+NH4+HCOOH"	64.039293
"1183427"	113.340251333333	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+3Na"	68.967654
"1655506"	340.047788	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Na+HCOOH"	68.994688
"169659"	619.02524	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+2K-H"	76.91904
"608126"	890.07834	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+2K-H"	76.91904
"1091545"	347.97214	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2K-H"	76.91904
"144350"	310.016258	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"2M+2K"	77.926316
"594362"	445.542808	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"3M+2K"	77.926316
"1082034"	174.489708	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2K"	77.926316
"1112207"	349.986692	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2K+H"	78.933592
"1348592"	350.074307	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+DMSO+H"	79.021207
"1013842"	354.113476	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2ACN+H"	83.060376
"1527595"	355.107108	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+IsoProp+Na+H"	84.054008
"992223"	177.560376	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+2ACN+2H"	84.067652
"1587942"	356.021728	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+K+HCOOH"	84.968628
"1415429"	386.053238	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+H+CF3COOH"	115.000138
"1147063"	198.073651	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+3ACN+2H"	125.094202
"1703903"	403.079785	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+NH4+CF3COOH"	132.026685
"1642833"	408.03518	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+Na+CF3COOH"	136.98208
"1574109"	424.00912	"C11685"	"Clorgyline"	"C13H15Cl2NO"	"271.0531"	"M+K+CF3COOH"	152.95602
"807755"	251.0228	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M"	0
"976914"	232.00441	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-H2O-H"	-19.01839
"63491"	166.341257333333	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M-3H"	-3.021828
"509088"	250.015524	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M-3H"	-3.021828
"883609"	82.6669906666667	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-3H"	-3.021828
"6557"	250.015524	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M-2H"	-2.014552
"448306"	375.526924	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M-2H"	-2.014552
"828297"	124.504124	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-2H"	-2.014552
"80635"	501.038324	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M-H"	-1.007276
"522743"	752.061124	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M-H"	-1.007276
"899086"	250.015524	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-H"	-1.007276
"52371"	518.064871	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M-2H+NH4"	16.019271
"498499"	769.087671	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M-2H+NH4"	16.019271
"865728"	267.042071	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-2H+NH4"	16.019271
"34719"	523.020266	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M-2H+Na"	20.974666
"473187"	774.043066	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M-2H+Na"	20.974666
"850380"	271.997466	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-2H+Na"	20.974666
"1622344"	271.997466	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Na-2H"	20.974666
"97779"	268.003863	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M-H+Cl"	33.962126
"540619"	393.515263	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M-H+Cl"	33.962126
"927935"	142.492463	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-H+Cl"	33.962126
"268682"	537.015002	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+Cl"	34.969402
"662927"	788.037802	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+Cl"	34.969402
"1275330"	285.992202	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Cl"	34.969402
"18983"	538.994206	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M-2H+K"	36.948606
"462917"	790.017006	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M-2H+K"	36.948606
"839626"	287.971406	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-2H+K"	36.948606
"1560927"	287.971406	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+K-2H"	36.948606
"945533"	296.020994	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-H+HCOOH"	44.998194
"364843"	547.043801	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+HCOOH-H"	44.998201
"346540"	561.059451	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+Hac-H"	59.013851
"1496466"	310.036651	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Hac-H"	59.013851
"966194"	318.002951	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-H+NaCOOH"	66.980151
"118382"	285.992202	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+2Cl"	69.938804
"557946"	411.503602	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+2Cl"	69.938804
"1028931"	160.480802	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2Cl"	69.938804
"1249610"	329.941685	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Br"	78.918885
"1314244"	331.997672	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Cl+HCOOH"	80.974872
"1327363"	353.979629	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Cl+NaCOOH"	102.956829
"923530"	364.008386	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M-H+CF3COOH"	112.985586
"1297318"	399.985064	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Cl+CF3COOH"	148.962264
"1374385"	216.010124	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H-2H2O"	-35.012676
"1386414"	234.0201	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H-H2O"	-17.0027
"286101"	503.052876	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+H"	1.007276
"677792"	754.075676	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+H"	1.007276
"1354138"	252.030076	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H"	1.007276
"132135"	252.030076	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+2H"	2.014552
"571695"	377.541476	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+2H"	2.014552
"1043774"	126.518676	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2H"	2.014552
"211673"	168.355809333333	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+3H"	3.021828
"653421"	252.030076	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+3H"	3.021828
"1166084"	84.6815426666667	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+3H"	3.021828
"426440"	520.079423	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+NH4"	18.033823
"787799"	771.102223	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+NH4"	18.033823
"1684496"	269.056623	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+NH4"	18.033823
"332408"	260.5433495	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+H+NH4"	19.041099
"726289"	386.0547495	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+H+NH4"	19.041099
"1480110"	135.0319495	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H+NH4"	19.041099
"397694"	525.034818	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+Na"	22.989218
"763064"	776.057618	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+Na"	22.989218
"1608976"	274.012018	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Na"	22.989218
"315123"	263.021047	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+H+Na"	23.996494
"707541"	388.532447	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+H+Na"	23.996494
"1462578"	137.509647	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H+Na"	23.996494
"1053755"	92.0088566666667	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2H+Na"	25.00377
"1257500"	284.056286	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+CH3OH+H"	33.033486
"378758"	541.008758	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+K"	38.963158
"741947"	792.031558	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+K"	38.963158
"1546191"	289.985958	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+K"	38.963158
"311754"	271.008017	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+H+K"	39.970434
"702358"	396.519417	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+H+K"	39.970434
"1456174"	145.496617	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H+K"	39.970434
"249151"	544.079426	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+ACN+H"	42.033826
"1224411"	293.056626	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+ACN+H"	42.033826
"1205745"	147.031951	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+ACN+2H"	43.041102
"194243"	547.01676	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+2Na-H"	44.97116
"639268"	798.03956	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+2Na-H"	44.97116
"1136214"	295.99396	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2Na-H"	44.97116
"173347"	274.012018	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+2Na"	45.978436
"613594"	399.523418	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+2Na"	45.978436
"1116127"	148.500618	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2Na"	45.978436
"1402818"	99.3361706666667	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H+2Na"	46.985712
"1433476"	298.035546	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H+HCOOH"	47.012746
"223536"	279.04504	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+3H2O+2H"	56.04448
"1510136"	312.08759	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+IsoProp+H"	61.06479
"410189"	281.998988	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+Na+K"	61.952376
"775561"	407.510388	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+Na+K"	61.952376
"1674078"	156.487588	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Na+K"	61.952376
"257317"	566.061368	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+ACN+Na"	64.015768
"1232213"	315.038568	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+ACN+Na"	64.015768
"1725473"	315.062093	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+NH4+HCOOH"	64.039293
"1183537"	106.663484666667	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+3Na"	68.967654
"1655616"	320.017488	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Na+HCOOH"	68.994688
"169769"	578.96464	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+2K-H"	76.91904
"604956"	829.98744	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+2K-H"	76.91904
"1091654"	327.94184	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2K-H"	76.91904
"144460"	289.985958	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"2M+2K"	77.926316
"593500"	415.497358	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"3M+2K"	77.926316
"1079106"	164.474558	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2K"	77.926316
"1113289"	329.956392	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2K+H"	78.933592
"1350041"	330.044007	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+DMSO+H"	79.021207
"1015045"	334.083176	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2ACN+H"	83.060376
"1528069"	335.076808	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+IsoProp+Na+H"	84.054008
"991968"	167.545226	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+2ACN+2H"	84.067652
"1587808"	335.991428	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+K+HCOOH"	84.968628
"1416511"	366.022938	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+H+CF3COOH"	115.000138
"1147891"	188.058501	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+3ACN+2H"	125.094202
"1704013"	383.049485	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+NH4+CF3COOH"	132.026685
"1645130"	388.00488	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+Na+CF3COOH"	136.98208
"1574219"	403.97882	"C11686"	"Uracil mustard"	"C8H11Cl2N3O2"	"251.0228"	"M+K+CF3COOH"	152.95602
"811145"	43.0422	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M"	0
"980305"	24.02381	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-H2O-H"	-19.01839
"64901"	27.687524	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M-3H"	-3.021828
"505919"	42.034924	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M-3H"	-3.021828
"889187"	13.340124	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-3H"	-3.021828
"11042"	42.034924	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M-2H"	-2.014552
"446230"	63.556024	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M-2H"	-2.014552
"831687"	20.513824	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-2H"	-2.014552
"90587"	85.077124	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M-H"	-1.007276
"522489"	128.119324	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M-H"	-1.007276
"900291"	42.034924	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-H"	-1.007276
"51387"	102.103671	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M-2H+NH4"	16.019271
"498609"	145.145871	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M-2H+NH4"	16.019271
"868755"	59.061471	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-2H+NH4"	16.019271
"37744"	107.059066	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M-2H+Na"	20.974666
"473298"	150.101266	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M-2H+Na"	20.974666
"852921"	64.016866	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-2H+Na"	20.974666
"1624641"	64.016866	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Na-2H"	20.974666
"97889"	60.023263	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M-H+Cl"	33.962126
"540729"	81.544363	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M-H+Cl"	33.962126
"927922"	38.502163	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-H+Cl"	33.962126
"269521"	121.053802	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+Cl"	34.969402
"663038"	164.096002	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+Cl"	34.969402
"1276535"	78.011602	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Cl"	34.969402
"19093"	123.033006	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M-2H+K"	36.948606
"463027"	166.075206	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M-2H+K"	36.948606
"837549"	79.990806	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-2H+K"	36.948606
"1558850"	79.990806	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+K-2H"	36.948606
"947830"	88.040394	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-H+HCOOH"	44.998194
"366046"	131.082601	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+HCOOH-H"	44.998201
"349929"	145.098251	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+Hac-H"	59.013851
"1495482"	102.056051	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Hac-H"	59.013851
"968491"	110.022351	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-H+NaCOOH"	66.980151
"120678"	78.011602	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+2Cl"	69.938804
"561337"	99.532702	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+2Cl"	69.938804
"1029041"	56.490502	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2Cl"	69.938804
"1250448"	121.961085	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Br"	78.918885
"1315812"	124.017072	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Cl+HCOOH"	80.974872
"1327474"	145.999029	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Cl+NaCOOH"	102.956829
"923640"	156.027786	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M-H+CF3COOH"	112.985586
"1297064"	192.004464	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Cl+CF3COOH"	148.962264
"1370121"	8.029524	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H-2H2O"	-35.012676
"1386524"	26.0395	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H-H2O"	-17.0027
"286575"	87.091676	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+H"	1.007276
"679724"	130.133876	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+H"	1.007276
"1356070"	44.049476	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H"	1.007276
"130052"	44.049476	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+2H"	2.014552
"572897"	65.570576	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+2H"	2.014552
"1039142"	22.528376	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2H"	2.014552
"207044"	29.702076	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+3H"	3.021828
"650250"	44.049476	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+3H"	3.021828
"1165465"	15.354676	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+3H"	3.021828
"427281"	104.118223	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+NH4"	18.033823
"789370"	147.160423	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+NH4"	18.033823
"1688976"	61.076023	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+NH4"	18.033823
"333975"	52.5627495	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+H+NH4"	19.041099
"728586"	74.0838495	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+H+NH4"	19.041099
"1478518"	31.0416495	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H+NH4"	19.041099
"397804"	109.073618	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+Na"	22.989218
"762081"	152.115818	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+Na"	22.989218
"1605804"	66.031418	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Na"	22.989218
"315841"	55.040447	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+H+Na"	23.996494
"707244"	76.561547	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+H+Na"	23.996494
"1462809"	33.519347	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H+Na"	23.996494
"1053056"	22.68199	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2H+Na"	25.00377
"1257488"	76.075686	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+CH3OH+H"	33.033486
"379233"	125.047558	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+K"	38.963158
"740964"	168.089758	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+K"	38.963158
"1546301"	82.005358	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+K"	38.963158
"311135"	63.027417	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+H+K"	39.970434
"701375"	84.548517	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+H+K"	39.970434
"1459566"	41.506317	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H+K"	39.970434
"248168"	128.118226	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+ACN+H"	42.033826
"1220875"	85.076026	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+ACN+H"	42.033826
"1207681"	43.041651	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+ACN+2H"	43.041102
"198726"	131.05556	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+2Na-H"	44.97116
"638285"	174.09776	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+2Na-H"	44.97116
"1135231"	88.01336	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2Na-H"	44.97116
"173778"	66.031418	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+2Na"	45.978436
"613665"	87.552518	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+2Na"	45.978436
"1116441"	44.510318	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2Na"	45.978436
"1401470"	30.009304	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H+2Na"	46.985712
"1432126"	90.054946	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H+HCOOH"	47.012746
"223279"	71.06444	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+3H2O+2H"	56.04448
"1510613"	104.10699	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+IsoProp+H"	61.06479
"411393"	74.018388	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+Na+K"	61.952376
"777857"	95.539488	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+Na+K"	61.952376
"1669084"	52.497288	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Na+K"	61.952376
"258521"	150.100168	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+ACN+Na"	64.015768
"1235241"	107.057968	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+ACN+Na"	64.015768
"1721208"	107.081493	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+NH4+HCOOH"	64.039293
"1182188"	37.336618	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+3Na"	68.967654
"1654997"	112.036888	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Na+HCOOH"	68.994688
"168786"	163.00344	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+2K-H"	76.91904
"605067"	206.04564	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+2K-H"	76.91904
"1093951"	119.96124	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2K-H"	76.91904
"148579"	82.005358	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"2M+2K"	77.926316
"593610"	103.526458	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"3M+2K"	77.926316
"1081404"	60.484258	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2K"	77.926316
"1113520"	121.975792	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2K+H"	78.933592
"1348447"	122.063407	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+DMSO+H"	79.021207
"1015155"	126.102576	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2ACN+H"	83.060376
"1531095"	127.096208	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+IsoProp+Na+H"	84.054008
"992078"	63.554926	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+2ACN+2H"	84.067652
"1587553"	128.010828	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+K+HCOOH"	84.968628
"1415528"	158.042338	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+H+CF3COOH"	115.000138
"1148365"	84.068201	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+3ACN+2H"	125.094202
"1704122"	175.068885	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+NH4+CF3COOH"	132.026685
"1645240"	180.02428	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+Na+CF3COOH"	136.98208
"1574329"	195.99822	"C11687"	"Aziridine"	"C2H5N"	"43.0422"	"M+K+CF3COOH"	152.95602
"804695"	535.222	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M"	0
"979322"	516.20361	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-H2O-H"	-19.01839
"63311"	355.807390666667	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M-3H"	-3.021828
"508215"	534.214724	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M-3H"	-3.021828
"891484"	177.400057333333	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-3H"	-3.021828
"14068"	534.214724	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M-2H"	-2.014552
"448526"	801.825724	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M-2H"	-2.014552
"825236"	266.603724	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-2H"	-2.014552
"89604"	1069.436724	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M-H"	-1.007276
"524786"	1604.658724	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M-H"	-1.007276
"902588"	534.214724	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-H"	-1.007276
"51498"	1086.463271	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M-2H+NH4"	16.019271
"495439"	1621.685271	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M-2H+NH4"	16.019271
"868865"	551.241271	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-2H+NH4"	16.019271
"34208"	1091.418666	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M-2H+Na"	20.974666
"473045"	1626.640666	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M-2H+Na"	20.974666
"851939"	556.196666	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-2H+Na"	20.974666
"1624751"	556.196666	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Na-2H"	20.974666
"96906"	552.203063	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M-H+Cl"	33.962126
"538652"	819.814063	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M-H+Cl"	33.962126
"927424"	284.592063	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-H+Cl"	33.962126
"269995"	1105.413402	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+Cl"	34.969402
"662055"	1640.635402	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+Cl"	34.969402
"1275552"	570.191402	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Cl"	34.969402
"19203"	1107.392606	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M-2H+K"	36.948606
"463136"	1642.614606	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M-2H+K"	36.948606
"837659"	572.170606	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-2H+K"	36.948606
"1558960"	572.170606	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+K-2H"	36.948606
"950127"	580.220194	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-H+HCOOH"	44.998194
"363968"	1115.442201	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+HCOOH-H"	44.998201
"350039"	1129.457851	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+Hac-H"	59.013851
"1495591"	594.235851	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Hac-H"	59.013851
"968601"	602.202151	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-H+NaCOOH"	66.980151
"120788"	570.191402	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+2Cl"	69.938804
"562543"	837.802402	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+2Cl"	69.938804
"1031337"	302.580402	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2Cl"	69.938804
"1250919"	614.140885	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Br"	78.918885
"1313368"	616.196872	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Cl+HCOOH"	80.974872
"1327583"	638.178829	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Cl+NaCOOH"	102.956829
"919736"	648.207586	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M-H+CF3COOH"	112.985586
"1292070"	684.184264	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Cl+CF3COOH"	148.962264
"1372049"	500.209324	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H-2H2O"	-35.012676
"1385541"	518.2193	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H-H2O"	-17.0027
"285227"	1071.451276	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+H"	1.007276
"678737"	1606.673276	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+H"	1.007276
"1355451"	536.229276	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H"	1.007276
"129432"	536.229276	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+2H"	2.014552
"570820"	803.840276	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+2H"	2.014552
"1039253"	268.618276	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2H"	2.014552
"208613"	357.821942666667	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+3H"	3.021828
"647442"	536.229276	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+3H"	3.021828
"1165211"	179.414609333333	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+3H"	3.021828
"426660"	1088.477823	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+NH4"	18.033823
"788750"	1623.699823	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+NH4"	18.033823
"1685806"	553.255823	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+NH4"	18.033823
"332628"	544.7425495	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+H+NH4"	19.041099
"724684"	812.3535495	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+H+NH4"	19.041099
"1477778"	277.1315495	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H+NH4"	19.041099
"394635"	1093.433218	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+Na"	22.989218
"755998"	1628.655218	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+Na"	22.989218
"1604092"	558.211218	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Na"	22.989218
"314735"	547.220247	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+H+Na"	23.996494
"707124"	814.831247	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+H+Na"	23.996494
"1461540"	279.609247	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H+Na"	23.996494
"1052994"	186.741923333333	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2H+Na"	25.00377
"1257098"	568.255486	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+CH3OH+H"	33.033486
"379343"	1109.407158	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+K"	38.963158
"740340"	1644.629158	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+K"	38.963158
"1542763"	574.185158	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+K"	38.963158
"299933"	555.207217	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+H+K"	39.970434
"693082"	822.818217	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+H+K"	39.970434
"1456395"	287.596217	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H+K"	39.970434
"248278"	1112.477826	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+ACN+H"	42.033826
"1217705"	577.255826	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+ACN+H"	42.033826
"1203778"	289.131551	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+ACN+2H"	43.041102
"195553"	1115.41516	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+2Na-H"	44.97116
"632196"	1650.63716	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+2Na-H"	44.97116
"1135341"	580.19316	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2Na-H"	44.97116
"174984"	558.211218	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+2Na"	45.978436
"613813"	825.822218	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+2Na"	45.978436
"1116347"	290.600218	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2Na"	45.978436
"1400487"	194.069237333333	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H+2Na"	46.985712
"1431385"	582.234746	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H+HCOOH"	47.012746
"221933"	563.24424	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+3H2O+2H"	56.04448
"1509994"	596.28679	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+IsoProp+H"	61.06479
"411503"	566.198188	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+Na+K"	61.952376
"776874"	833.809188	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+Na+K"	61.952376
"1666398"	298.587188	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Na+K"	61.952376
"253527"	1134.459768	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+ACN+Na"	64.015768
"1232797"	599.237768	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+ACN+Na"	64.015768
"1721318"	599.261293	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+NH4+HCOOH"	64.039293
"1182298"	201.396551333333	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+3Na"	68.967654
"1656565"	604.216688	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Na+HCOOH"	68.994688
"168896"	1147.36304	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+2K-H"	76.91904
"605177"	1682.58504	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+2K-H"	76.91904
"1092968"	612.14104	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2K-H"	76.91904
"147596"	574.185158	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"2M+2K"	77.926316
"593720"	841.796158	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"3M+2K"	77.926316
"1080421"	306.574158	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2K"	77.926316
"1112537"	614.155592	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2K+H"	78.933592
"1347828"	614.243207	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+DMSO+H"	79.021207
"1016358"	618.282376	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2ACN+H"	83.060376
"1532298"	619.276008	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+IsoProp+Na+H"	84.054008
"991215"	309.644826	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+2ACN+2H"	84.067652
"1588635"	620.190628	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+K+HCOOH"	84.968628
"1416731"	650.222138	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+H+CF3COOH"	115.000138
"1147621"	330.158101	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+3ACN+2H"	125.094202
"1704232"	667.248685	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+NH4+CF3COOH"	132.026685
"1645350"	672.20408	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+Na+CF3COOH"	136.98208
"1574439"	688.17802	"C11688"	"Asperlicin"	"C31H29N5O4"	"535.222"	"M+K+CF3COOH"	152.95602
"804805"	373.2439	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M"	0
"980526"	354.22551	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-H2O-H"	-19.01839
"67675"	247.821990666667	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M-3H"	-3.021828
"503952"	372.236624	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M-3H"	-3.021828
"888315"	123.407357333333	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-3H"	-3.021828
"12358"	372.236624	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M-2H"	-2.014552
"448641"	558.858574	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M-2H"	-2.014552
"824256"	185.614674	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-2H"	-2.014552
"86435"	745.480524	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M-H"	-1.007276
"524896"	1118.724424	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M-H"	-1.007276
"901605"	372.236624	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-H"	-1.007276
"52701"	762.507071	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M-2H+NH4"	16.019271
"495549"	1135.750971	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M-2H+NH4"	16.019271
"864516"	389.263171	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-2H+NH4"	16.019271
"33227"	767.462466	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M-2H+Na"	20.974666
"473155"	1140.706366	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M-2H+Na"	20.974666
"854235"	394.218566	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-2H+Na"	20.974666
"1624860"	394.218566	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Na-2H"	20.974666
"98109"	390.224963	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M-H+Cl"	33.962126
"536941"	576.846913	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M-H+Cl"	33.962126
"930091"	203.603013	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-H+Cl"	33.962126
"270835"	781.457202	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+Cl"	34.969402
"664351"	1154.701102	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+Cl"	34.969402
"1278943"	408.213302	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Cl"	34.969402
"25874"	783.436406	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M-2H+K"	36.948606
"464340"	1156.680306	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M-2H+K"	36.948606
"841049"	410.192506	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-2H+K"	36.948606
"1559071"	410.192506	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+K-2H"	36.948606
"944770"	418.242094	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-H+HCOOH"	44.998194
"367361"	791.486001	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+HCOOH-H"	44.998201
"353431"	805.501651	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+Hac-H"	59.013851
"1503357"	432.257751	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Hac-H"	59.013851
"969805"	440.224051	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-H+NaCOOH"	66.980151
"118714"	408.213302	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+2Cl"	69.938804
"561557"	594.835252	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+2Cl"	69.938804
"1031448"	221.591352	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2Cl"	69.938804
"1252122"	452.162785	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Br"	78.918885
"1312384"	454.218772	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Cl+HCOOH"	80.974872
"1325506"	476.200729	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Cl+NaCOOH"	102.956829
"918753"	486.229486	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M-H+CF3COOH"	112.985586
"1292180"	522.206164	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Cl+CF3COOH"	148.962264
"1371431"	338.231224	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H-2H2O"	-35.012676
"1385282"	356.2412	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H-H2O"	-17.0027
"283875"	747.495076	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+H"	1.007276
"678120"	1120.738976	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+H"	1.007276
"1354102"	374.251176	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H"	1.007276
"127720"	374.251176	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+2H"	2.014552
"568011"	560.873126	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+2H"	2.014552
"1040821"	187.629226	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2H"	2.014552
"206901"	249.836542666667	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+3H"	3.021828
"648284"	374.251176	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+3H"	3.021828
"1165686"	125.421909333333	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+3H"	3.021828
"425313"	764.521623	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+NH4"	18.033823
"787038"	1137.765523	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+NH4"	18.033823
"1685191"	391.277723	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+NH4"	18.033823
"330592"	382.7644495	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+H+NH4"	19.041099
"724433"	569.3863995	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+H+NH4"	19.041099
"1478129"	196.1424995	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H+NH4"	19.041099
"395110"	769.477018	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+Na"	22.989218
"756108"	1142.720918	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+Na"	22.989218
"1607122"	396.233118	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Na"	22.989218
"314391"	385.242147	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+H+Na"	23.996494
"707338"	571.864097	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+H+Na"	23.996494
"1461730"	198.620197	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H+Na"	23.996494
"1053232"	132.749223333333	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2H+Na"	25.00377
"1257380"	406.277386	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+CH3OH+H"	33.033486
"377332"	785.450958	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+K"	38.963158
"739353"	1158.694858	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+K"	38.963158
"1540100"	412.207058	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+K"	38.963158
"298614"	393.229117	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+H+K"	39.970434
"691488"	579.851067	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+H+K"	39.970434
"1445917"	206.607167	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H+K"	39.970434
"246201"	788.521626	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+ACN+H"	42.033826
"1217815"	415.277726	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+ACN+H"	42.033826
"1202795"	208.142501	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+ACN+2H"	43.041102
"195663"	791.45896	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+2Na-H"	44.97116
"631942"	1164.70286	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+2Na-H"	44.97116
"1133506"	418.21506	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2Na-H"	44.97116
"174730"	396.233118	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+2Na"	45.978436
"612908"	582.855068	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+2Na"	45.978436
"1115767"	209.611168	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2Na"	45.978436
"1399013"	140.076537333333	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H+2Na"	46.985712
"1431738"	420.256646	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H+HCOOH"	47.012746
"221678"	401.26614	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+3H2O+2H"	56.04448
"1509253"	434.30869	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+IsoProp+H"	61.06479
"413800"	404.220088	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+Na+K"	61.952376
"771150"	590.842038	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+Na+K"	61.952376
"1666387"	217.598138	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Na+K"	61.952376
"253636"	810.503568	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+ACN+Na"	64.015768
"1232541"	437.259668	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+ACN+Na"	64.015768
"1719241"	437.283193	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+NH4+HCOOH"	64.039293
"1183865"	147.403851333333	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+3Na"	68.967654
"1653393"	442.238588	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Na+HCOOH"	68.994688
"165725"	823.40684	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+2K-H"	76.91904
"605288"	1196.65074	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+2K-H"	76.91904
"1089800"	450.16294	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2K-H"	76.91904
"149897"	412.207058	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"2M+2K"	77.926316
"591645"	598.829008	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"3M+2K"	77.926316
"1079435"	225.585108	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2K"	77.926316
"1110461"	452.177492	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2K+H"	78.933592
"1345751"	452.265107	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+DMSO+H"	79.021207
"1009908"	456.304276	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2ACN+H"	83.060376
"1526945"	457.297908	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+IsoProp+Na+H"	84.054008
"990476"	228.655776	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+2ACN+2H"	84.067652
"1588137"	458.212528	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+K+HCOOH"	84.968628
"1416841"	488.244038	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+H+CF3COOH"	115.000138
"1148223"	249.169051	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+3ACN+2H"	125.094202
"1707620"	505.270585	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+NH4+CF3COOH"	132.026685
"1645459"	510.22598	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+Na+CF3COOH"	136.98208
"1574549"	526.19992	"C11689"	"Curacin A"	"C23H35NOS"	"373.2439"	"M+K+CF3COOH"	152.95602
"815852"	208.0767	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M"	0
"983919"	189.05831	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-H2O-H"	-19.01839
"67785"	137.710524	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M-3H"	-3.021828
"505156"	207.069424	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M-3H"	-3.021828
"885144"	68.351624	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-3H"	-3.021828
"8093"	207.069424	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M-2H"	-2.014552
"449840"	311.107774	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M-2H"	-2.014552
"827646"	103.031074	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-2H"	-2.014552
"88731"	415.146124	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M-H"	-1.007276
"520635"	623.222824	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M-H"	-1.007276
"898437"	207.069424	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-H"	-1.007276
"53904"	432.172671	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M-2H+NH4"	16.019271
"494566"	640.249371	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M-2H+NH4"	16.019271
"864244"	224.095971	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-2H+NH4"	16.019271
"31549"	437.128066	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M-2H+Na"	20.974666
"472415"	645.204766	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M-2H+Na"	20.974666
"848646"	229.051366	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-2H+Na"	20.974666
"1624972"	229.051366	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Na-2H"	20.974666
"99313"	225.057763	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M-H+Cl"	33.962126
"536688"	329.096113	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M-H+Cl"	33.962126
"932390"	121.019413	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-H+Cl"	33.962126
"269852"	451.122802	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+Cl"	34.969402
"665556"	659.199502	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+Cl"	34.969402
"1281240"	243.046102	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Cl"	34.969402
"24892"	453.102006	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M-2H+K"	36.948606
"465546"	661.178706	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M-2H+K"	36.948606
"844440"	245.025306	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-2H+K"	36.948606
"1565743"	245.025306	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+K-2H"	36.948606
"951440"	253.074894	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-H+HCOOH"	44.998194
"367468"	461.151601	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+HCOOH-H"	44.998201
"350258"	475.167251	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+Hac-H"	59.013851
"1495812"	267.090551	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Hac-H"	59.013851
"963353"	275.056851	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-H+NaCOOH"	66.980151
"115542"	243.046102	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+2Cl"	69.938804
"560574"	347.084452	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+2Cl"	69.938804
"1031558"	139.007752	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2Cl"	69.938804
"1248952"	286.995585	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Br"	78.918885
"1310307"	289.051572	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Cl+HCOOH"	80.974872
"1323428"	311.033529	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Cl+NaCOOH"	102.956829
"918863"	321.062286	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M-H+CF3COOH"	112.985586
"1293383"	357.038964	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Cl+CF3COOH"	148.962264
"1368263"	173.064024	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H-2H2O"	-35.012676
"1384663"	191.074	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H-H2O"	-17.0027
"283986"	417.160676	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+H"	1.007276
"677867"	625.237376	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+H"	1.007276
"1355309"	209.083976	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H"	1.007276
"129291"	209.083976	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+2H"	2.014552
"568851"	313.122326	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+2H"	2.014552
"1039838"	105.045626	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2H"	2.014552
"209929"	139.725076	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+3H"	3.021828
"652770"	209.083976	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+3H"	3.021828
"1165432"	70.366176	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+3H"	3.021828
"427243"	434.187223	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+NH4"	18.033823
"788967"	642.263923	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+NH4"	18.033823
"1683840"	226.110523	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+NH4"	18.033823
"331147"	217.5972495	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+H+NH4"	19.041099
"724057"	321.6355995	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+H+NH4"	19.041099
"1478360"	113.5588995	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H+NH4"	19.041099
"393515"	439.142618	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+Na"	22.989218
"755483"	647.219318	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+Na"	22.989218
"1605041"	231.065918	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Na"	22.989218
"317270"	220.074947	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+H+Na"	23.996494
"710054"	324.113297	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+H+Na"	23.996494
"1461395"	116.036597	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H+Na"	23.996494
"1053582"	77.69349	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2H+Na"	25.00377
"1257814"	241.110186	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+CH3OH+H"	33.033486
"378229"	455.116558	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+K"	38.963158
"738698"	663.193258	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+K"	38.963158
"1540799"	247.039858	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+K"	38.963158
"298943"	228.061917	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+H+K"	39.970434
"691485"	332.100267	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+H+K"	39.970434
"1445775"	124.023567	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H+K"	39.970434
"246313"	458.187226	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+ACN+H"	42.033826
"1220114"	250.110526	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+ACN+H"	42.033826
"1198528"	125.558901	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+ACN+2H"	43.041102
"193585"	461.12456	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+2Na-H"	44.97116
"630227"	669.20126	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+2Na-H"	44.97116
"1131661"	253.04786	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2Na-H"	44.97116
"174720"	231.065918	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+2Na"	45.978436
"612884"	335.104268	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+2Na"	45.978436
"1115721"	127.027568	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2Na"	45.978436
"1398839"	85.020804	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H+2Na"	46.985712
"1430755"	255.089446	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H+HCOOH"	47.012746
"220201"	236.09894	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+3H2O+2H"	56.04448
"1510943"	269.14149	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+IsoProp+H"	61.06479
"411723"	239.052888	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+Na+K"	61.952376
"773812"	343.091238	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+Na+K"	61.952376
"1667227"	135.014538	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Na+K"	61.952376
"254475"	480.169168	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+ACN+Na"	64.015768
"1229371"	272.092468	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+ACN+Na"	64.015768
"1719351"	272.115993	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+NH4+HCOOH"	64.039293
"1187986"	92.348118	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+3Na"	68.967654
"1661161"	277.071388	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Na+HCOOH"	68.994688
"164011"	493.07244	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+2K-H"	76.91904
"607583"	701.14914	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+2K-H"	76.91904
"1095379"	284.99574	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2K-H"	76.91904
"152194"	247.039858	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"2M+2K"	77.926316
"593940"	351.078208	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"3M+2K"	77.926316
"1078452"	143.001508	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2K"	77.926316
"1109479"	287.010292	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2K+H"	78.933592
"1345865"	287.097907	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+DMSO+H"	79.021207
"1014392"	291.137076	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2ACN+H"	83.060376
"1528147"	292.130708	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+IsoProp+Na+H"	84.054008
"991315"	146.072176	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+2ACN+2H"	84.067652
"1587397"	293.045328	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+K+HCOOH"	84.968628
"1414765"	323.076838	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+H+CF3COOH"	115.000138
"1147474"	166.585451	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+3ACN+2H"	125.094202
"1707732"	340.103385	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+NH4+CF3COOH"	132.026685
"1643383"	345.05878	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+Na+CF3COOH"	136.98208
"1574659"	361.03272	"C11690"	"Epibatidine"	"C11H13ClN2"	"208.0767"	"M+K+CF3COOH"	152.95602
"811585"	354.1943	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M"	0
"981839"	335.17591	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-H2O-H"	-19.01839
"71175"	235.122257333333	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M-3H"	-3.021828
"506359"	353.187024	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M-3H"	-3.021828
"884160"	117.057490666667	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-3H"	-3.021828
"12576"	353.187024	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M-2H"	-2.014552
"448856"	530.284174	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M-2H"	-2.014552
"825567"	176.089874	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-2H"	-2.014552
"88839"	707.381324	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M-H"	-1.007276
"522932"	1061.575624	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M-H"	-1.007276
"898178"	353.187024	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-H"	-1.007276
"48911"	724.407871	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M-2H+NH4"	16.019271
"495769"	1078.602171	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M-2H+NH4"	16.019271
"867009"	370.213571	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-2H+NH4"	16.019271
"32108"	729.363266	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M-2H+Na"	20.974666
"475563"	1083.557566	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M-2H+Na"	20.974666
"850084"	375.168966	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-2H+Na"	20.974666
"1622895"	375.168966	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Na-2H"	20.974666
"97237"	371.175363	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M-H+Cl"	33.962126
"536798"	548.272513	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M-H+Cl"	33.962126
"933593"	194.078213	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-H+Cl"	33.962126
"271055"	743.358002	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+Cl"	34.969402
"665666"	1097.552302	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+Cl"	34.969402
"1279163"	389.163702	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Cl"	34.969402
"25002"	745.337206	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M-2H+K"	36.948606
"468935"	1099.531506	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M-2H+K"	36.948606
"847466"	391.142906	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-2H+K"	36.948606
"1568769"	391.142906	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+K-2H"	36.948606
"955924"	399.192494	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-H+HCOOH"	44.998194
"371953"	753.386801	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+HCOOH-H"	44.998201
"352555"	767.402451	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+Hac-H"	59.013851
"1497378"	413.208151	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Hac-H"	59.013851
"968931"	421.174451	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-H+NaCOOH"	66.980151
"117837"	389.163702	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+2Cl"	69.938804
"560684"	566.260852	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+2Cl"	69.938804
"1030574"	212.066552	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2Cl"	69.938804
"1249061"	433.113185	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Br"	78.918885
"1311510"	435.169172	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Cl+HCOOH"	80.974872
"1325724"	457.151129	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Cl+NaCOOH"	102.956829
"920066"	467.179886	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M-H+CF3COOH"	112.985586
"1292762"	503.156564	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Cl+CF3COOH"	148.962264
"1369463"	319.181624	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H-2H2O"	-35.012676
"1388052"	337.1916	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H-H2O"	-17.0027
"285554"	709.395876	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+H"	1.007276
"678341"	1063.590176	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+H"	1.007276
"1354688"	355.201576	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H"	1.007276
"128672"	355.201576	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+2H"	2.014552
"570054"	532.298726	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+2H"	2.014552
"1039944"	178.104426	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2H"	2.014552
"207852"	237.136809333333	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+3H"	3.021828
"648505"	355.201576	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+3H"	3.021828
"1164448"	119.072042666667	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+3H"	3.021828
"426625"	726.422423	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+NH4"	18.033823
"788714"	1080.616723	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+NH4"	18.033823
"1683222"	372.228123	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+NH4"	18.033823
"331501"	363.7148495	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+H+NH4"	19.041099
"725021"	540.8119995	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+H+NH4"	19.041099
"1481750"	186.6176995	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H+NH4"	19.041099
"397150"	731.377818	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+Na"	22.989218
"757051"	1085.572118	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+Na"	22.989218
"1603814"	377.183518	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Na"	22.989218
"317015"	366.192547	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+H+Na"	23.996494
"709071"	543.289697	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+H+Na"	23.996494
"1461367"	189.095397	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H+Na"	23.996494
"1052847"	126.399356666667	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2H+Na"	25.00377
"1257236"	387.227786	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+CH3OH+H"	33.033486
"379308"	747.351758	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+K"	38.963158
"739337"	1101.546058	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+K"	38.963158
"1542730"	393.157458	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+K"	38.963158
"300998"	374.179517	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+H+K"	39.970434
"691956"	551.276667	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+H+K"	39.970434
"1445898"	197.082367	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H+K"	39.970434
"246423"	750.422426	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+ACN+H"	42.033826
"1218037"	396.228126	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+ACN+H"	42.033826
"1197544"	198.617701	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+ACN+2H"	43.041102
"193695"	753.35976	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+2Na-H"	44.97116
"632160"	1107.55406	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+2Na-H"	44.97116
"1132745"	399.16546	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2Na-H"	44.97116
"172854"	377.183518	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+2Na"	45.978436
"613335"	554.280668	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+2Na"	45.978436
"1115710"	200.086368	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2Na"	45.978436
"1398788"	133.726670666667	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H+2Na"	46.985712
"1430258"	401.207046	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H+HCOOH"	47.012746
"220162"	382.21654	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+3H2O+2H"	56.04448
"1514333"	415.25909	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+H"	61.06479
"411833"	385.170488	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+Na+K"	61.952376
"770642"	562.267638	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+Na+K"	61.952376
"1667337"	208.073338	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Na+K"	61.952376
"254585"	772.404368	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+ACN+Na"	64.015768
"1231668"	418.210068	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+ACN+Na"	64.015768
"1719461"	418.233593	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+NH4+HCOOH"	64.039293
"1188097"	141.053984666667	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+3Na"	68.967654
"1660178"	423.188988	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Na+HCOOH"	68.994688
"163756"	785.30764	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+2K-H"	76.91904
"608787"	1139.50194	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+2K-H"	76.91904
"1095489"	431.11334	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2K-H"	76.91904
"150119"	393.157458	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"2M+2K"	77.926316
"595143"	570.254608	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"3M+2K"	77.926316
"1078562"	216.060308	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2K"	77.926316
"1110682"	433.127892	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2K+H"	78.933592
"1345975"	433.215507	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+DMSO+H"	79.021207
"1014503"	437.254676	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2ACN+H"	83.060376
"1531536"	438.248308	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+Na+H"	84.054008
"994703"	219.130976	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+2ACN+2H"	84.067652
"1587510"	439.162928	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+K+HCOOH"	84.968628
"1414548"	469.194438	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+H+CF3COOH"	115.000138
"1147219"	239.644251	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+3ACN+2H"	125.094202
"1707842"	486.220985	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+NH4+CF3COOH"	132.026685
"1643493"	491.17638	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+Na+CF3COOH"	136.98208
"1574769"	507.15032	"C11691"	"Stemmadenine"	"C21H26N2O3"	"354.1943"	"M+K+CF3COOH"	152.95602
"808415"	319.1016	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M"	0
"981950"	300.08321	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-H2O-H"	-19.01839
"66911"	211.727124	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M-3H"	-3.021828
"506469"	318.094324	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M-3H"	-3.021828
"888644"	105.359924	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-3H"	-3.021828
"12686"	318.094324	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M-2H"	-2.014552
"447874"	477.645124	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M-2H"	-2.014552
"828958"	158.543524	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-2H"	-2.014552
"88950"	637.195924	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M-H"	-1.007276
"525227"	956.297524	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M-H"	-1.007276
"898048"	318.094324	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-H"	-1.007276
"49750"	654.222471	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M-2H+NH4"	16.019271
"496973"	973.324071	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M-2H+NH4"	16.019271
"867119"	335.120871	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-2H+NH4"	16.019271
"32581"	659.177866	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M-2H+Na"	20.974666
"475673"	978.279466	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M-2H+Na"	20.974666
"852380"	340.076266	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-2H+Na"	20.974666
"1621911"	340.076266	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Na-2H"	20.974666
"97347"	336.082663	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M-H+Cl"	33.962126
"538001"	495.633463	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M-H+Cl"	33.962126
"934797"	176.531863	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-H+Cl"	33.962126
"271529"	673.172602	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+Cl"	34.969402
"667962"	992.274202	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+Cl"	34.969402
"1280366"	354.071002	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Cl"	34.969402
"26205"	675.151806	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M-2H+K"	36.948606
"470504"	994.253406	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M-2H+K"	36.948606
"846848"	356.050206	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-2H+K"	36.948606
"1569608"	356.050206	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+K-2H"	36.948606
"953847"	364.099794	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-H+HCOOH"	44.998194
"369877"	683.201401	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+HCOOH-H"	44.998201
"350480"	697.217051	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+Hac-H"	59.013851
"1498218"	378.115451	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Hac-H"	59.013851
"969041"	386.081751	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-H+NaCOOH"	66.980151
"121229"	354.071002	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+2Cl"	69.938804
"558605"	513.621802	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+2Cl"	69.938804
"1029590"	194.520202	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2Cl"	69.938804
"1250265"	398.020485	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Br"	78.918885
"1311619"	400.076472	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Cl+HCOOH"	80.974872
"1325104"	422.058429	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Cl+NaCOOH"	102.956829
"917984"	432.087186	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M-H+CF3COOH"	112.985586
"1294691"	468.063864	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Cl+CF3COOH"	148.962264
"1373945"	284.088924	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H-2H2O"	-35.012676
"1388163"	302.0989	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H-H2O"	-17.0027
"285298"	639.210476	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+H"	1.007276
"677358"	958.312076	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+H"	1.007276
"1353705"	320.108876	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H"	1.007276
"127324"	320.108876	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+2H"	2.014552
"569071"	479.659676	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+2H"	2.014552
"1042245"	160.558076	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2H"	2.014552
"207962"	213.741676	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+3H"	3.021828
"647886"	320.108876	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+3H"	3.021828
"1166745"	107.374476	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+3H"	3.021828
"425642"	656.237023	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+NH4"	18.033823
"789917"	975.338623	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+NH4"	18.033823
"1686250"	337.135423	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+NH4"	18.033823
"330884"	328.6221495	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+H+NH4"	19.041099
"723306"	488.1729495	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+H+NH4"	19.041099
"1479309"	169.0713495	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H+NH4"	19.041099
"395072"	661.192418	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+Na"	22.989218
"755705"	980.294018	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+Na"	22.989218
"1605263"	342.090818	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Na"	22.989218
"317854"	331.099847	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+H+Na"	23.996494
"709181"	490.650647	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+H+Na"	23.996494
"1461655"	171.549047	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H+Na"	23.996494
"1053277"	114.70179	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2H+Na"	25.00377
"1257353"	352.135086	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+CH3OH+H"	33.033486
"378323"	677.166358	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+K"	38.963158
"741513"	996.267958	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+K"	38.963158
"1542475"	358.064758	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+K"	38.963158
"300739"	339.086817	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+H+K"	39.970434
"692795"	498.637617	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+H+K"	39.970434
"1447102"	179.536017	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H+K"	39.970434
"244346"	680.237026	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+ACN+H"	42.033826
"1219240"	361.135426	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+ACN+H"	42.033826
"1202028"	181.071351	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+ACN+2H"	43.041102
"190523"	683.17436	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+2Na-H"	44.97116
"631902"	1002.27596	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+2Na-H"	44.97116
"1133587"	364.07276	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2Na-H"	44.97116
"173027"	342.090818	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+2Na"	45.978436
"613768"	501.641618	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+2Na"	45.978436
"1115746"	182.540018	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2Na"	45.978436
"1399589"	122.029104	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H+2Na"	46.985712
"1430855"	366.114346	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H+HCOOH"	47.012746
"221035"	347.12384	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+3H2O+2H"	56.04448
"1511163"	380.16639	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+IsoProp+H"	61.06479
"409145"	350.077788	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+Na+K"	61.952376
"770873"	509.628588	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+Na+K"	61.952376
"1667082"	190.526988	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Na+K"	61.952376
"254695"	702.218968	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+ACN+Na"	64.015768
"1232871"	383.117368	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+ACN+Na"	64.015768
"1721759"	383.140893	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+NH4+HCOOH"	64.039293
"1187114"	129.356418	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+3Na"	68.967654
"1660288"	388.096288	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Na+HCOOH"	68.994688
"169335"	715.12224	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+2K-H"	76.91904
"608897"	1034.22384	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+2K-H"	76.91904
"1094506"	396.02064	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2K-H"	76.91904
"151322"	358.064758	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"2M+2K"	77.926316
"595136"	517.615558	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"3M+2K"	77.926316
"1083293"	198.513958	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2K"	77.926316
"1110792"	398.035192	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2K+H"	78.933592
"1343896"	398.122807	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+DMSO+H"	79.021207
"1015706"	402.161976	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2ACN+H"	83.060376
"1529460"	403.155608	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+IsoProp+Na+H"	84.054008
"990927"	201.584626	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+2ACN+2H"	84.067652
"1588231"	404.070228	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+K+HCOOH"	84.968628
"1414496"	434.101738	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+H+CF3COOH"	115.000138
"1147168"	222.097901	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+3ACN+2H"	125.094202
"1710139"	451.128285	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+NH4+CF3COOH"	132.026685
"1645790"	456.08368	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+Na+CF3COOH"	136.98208
"1578159"	472.05762	"C11692"	"Tetrodotoxin;TTX"	"C11H17N3O8"	"319.1016"	"M+K+CF3COOH"	152.95602
"808525"	359.107	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M"	0
"982060"	340.08861	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-H2O-H"	-19.01839
"67021"	238.397390666667	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M-3H"	-3.021828
"506579"	358.099724	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M-3H"	-3.021828
"887660"	118.695057333333	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-3H"	-3.021828
"9515"	358.099724	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M-2H"	-2.014552
"451263"	537.653224	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M-2H"	-2.014552
"831984"	178.546224	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-2H"	-2.014552
"91976"	717.206724	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M-H"	-1.007276
"528617"	1076.313724	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M-H"	-1.007276
"906421"	358.099724	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-H"	-1.007276
"55328"	734.233271	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M-2H+NH4"	16.019271
"494896"	1093.340271	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M-2H+NH4"	16.019271
"866256"	375.126271	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-2H+NH4"	16.019271
"33304"	739.188666	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M-2H+Na"	20.974666
"473716"	1098.295666	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M-2H+Na"	20.974666
"850302"	380.081666	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-2H+Na"	20.974666
"1620561"	380.081666	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Na-2H"	20.974666
"96727"	376.088063	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M-H+Cl"	33.962126
"538111"	555.641563	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M-H+Cl"	33.962126
"934907"	196.534563	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-H+Cl"	33.962126
"271275"	753.183402	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+Cl"	34.969402
"670258"	1112.290402	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+Cl"	34.969402
"1282662"	394.076402	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Cl"	34.969402
"28501"	755.162606	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M-2H+K"	36.948606
"470614"	1114.269606	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M-2H+K"	36.948606
"847322"	396.055606	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-2H+K"	36.948606
"1563885"	396.055606	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+K-2H"	36.948606
"953957"	404.105194	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-H+HCOOH"	44.998194
"369987"	763.212201	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+HCOOH-H"	44.998201
"353870"	777.227851	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+Hac-H"	59.013851
"1501608"	418.120851	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Hac-H"	59.013851
"970244"	426.087151	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-H+NaCOOH"	66.980151
"121339"	394.076402	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+2Cl"	69.938804
"558715"	573.629902	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+2Cl"	69.938804
"1029700"	214.522902	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2Cl"	69.938804
"1250374"	438.025885	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Br"	78.918885
"1312822"	440.081872	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Cl+HCOOH"	80.974872
"1324849"	462.063829	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Cl+NaCOOH"	102.956829
"917001"	472.092586	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M-H+CF3COOH"	112.985586
"1294801"	508.069264	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Cl+CF3COOH"	148.962264
"1372962"	324.094324	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H-2H2O"	-35.012676
"1388274"	342.1043	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H-H2O"	-17.0027
"286866"	719.221276	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+H"	1.007276
"678925"	1078.328276	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+H"	1.007276
"1355272"	360.114276	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H"	1.007276
"128525"	360.114276	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+2H"	2.014552
"570274"	539.667776	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+2H"	2.014552
"1040897"	180.560776	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2H"	2.014552
"206248"	240.411942666667	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+3H"	3.021828
"647631"	360.114276	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+3H"	3.021828
"1164668"	120.709609333333	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+3H"	3.021828
"425021"	736.247823	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+NH4"	18.033823
"787111"	1095.354823	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+NH4"	18.033823
"1687453"	377.140823	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+NH4"	18.033823
"332087"	368.6275495	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+H+NH4"	19.041099
"724146"	548.1810495	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+H+NH4"	19.041099
"1478084"	189.0740495	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H+NH4"	19.041099
"394819"	741.203218	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+Na"	22.989218
"755452"	1100.310218	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+Na"	22.989218
"1604277"	382.096218	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Na"	22.989218
"316142"	371.105247	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+H+Na"	23.996494
"709655"	550.658747	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+H+Na"	23.996494
"1461394"	191.551747	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H+Na"	23.996494
"1052944"	128.036923333333	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2H+Na"	25.00377
"1257381"	392.140486	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+CH3OH+H"	33.033486
"378799"	757.177158	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+K"	38.963158
"741258"	1116.284158	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+K"	38.963158
"1543678"	398.070158	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+K"	38.963158
"299390"	379.092217	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+H+K"	39.970434
"691458"	558.645717	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+H+K"	39.970434
"1446238"	199.538717	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H+K"	39.970434
"246643"	760.247826	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+ACN+H"	42.033826
"1219350"	401.140826	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+ACN+H"	42.033826
"1198857"	201.074051	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+ACN+2H"	43.041102
"193912"	763.18516	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+2Na-H"	44.97116
"633834"	1122.29216	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+2Na-H"	44.97116
"1133692"	404.07816	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2Na-H"	44.97116
"173950"	382.096218	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+2Na"	45.978436
"613546"	561.649718	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+2Na"	45.978436
"1116047"	202.542718	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2Na"	45.978436
"1401399"	135.364237333333	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H+2Na"	46.985712
"1432787"	406.119746	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H+HCOOH"	47.012746
"221266"	387.12924	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+3H2O+2H"	56.04448
"1510179"	420.17179	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+IsoProp+H"	61.06479
"410227"	390.083188	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+Na+K"	61.952376
"771955"	569.636688	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+Na+K"	61.952376
"1668647"	210.529688	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Na+K"	61.952376
"254805"	782.229768	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+ACN+Na"	64.015768
"1230794"	423.122768	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+ACN+Na"	64.015768
"1719682"	423.146293	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+NH4+HCOOH"	64.039293
"1187224"	142.691551333333	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+3Na"	68.967654
"1659304"	428.101688	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Na+HCOOH"	68.994688
"170538"	795.13304	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+2K-H"	76.91904
"607913"	1154.24004	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+2K-H"	76.91904
"1097531"	436.02604	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2K-H"	76.91904
"156413"	398.070158	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"2M+2K"	77.926316
"596589"	577.623658	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"3M+2K"	77.926316
"1083726"	218.516658	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2K"	77.926316
"1111995"	438.040592	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2K+H"	78.933592
"1346193"	438.128207	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+DMSO+H"	79.021207
"1019947"	442.167376	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2ACN+H"	83.060376
"1530665"	443.161008	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+IsoProp+Na+H"	84.054008
"992739"	221.587326	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+2ACN+2H"	84.067652
"1587611"	444.075628	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+K+HCOOH"	84.968628
"1414322"	474.107138	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+H+CF3COOH"	115.000138
"1147684"	242.100601	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+3ACN+2H"	125.094202
"1710249"	491.133685	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+NH4+CF3COOH"	132.026685
"1646993"	496.08908	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+Na+CF3COOH"	136.98208
"1578269"	512.06302	"C11694"	"Quinoline-3-carboxamides"	"C21H14FN3O2"	"359.107"	"M+K+CF3COOH"	152.95602
"811915"	347.2824	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M"	0
"987637"	328.26401	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-H2O-H"	-19.01839
"72599"	230.514324	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M-3H"	-3.021828
"507785"	346.275124	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M-3H"	-3.021828
"885585"	114.753524	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-3H"	-3.021828
"10719"	346.275124	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M-2H"	-2.014552
"451375"	519.916324	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M-2H"	-2.014552
"824802"	172.633924	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-2H"	-2.014552
"84792"	693.557524	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M-H"	-1.007276
"525446"	1040.839924	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M-H"	-1.007276
"909811"	346.275124	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-H"	-1.007276
"57625"	710.584071	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M-2H+NH4"	16.019271
"491726"	1057.866471	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M-2H+NH4"	16.019271
"867341"	363.301671	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-2H+NH4"	16.019271
"40709"	715.539466	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M-2H+Na"	20.974666
"475895"	1062.821866	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M-2H+Na"	20.974666
"856974"	368.257066	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-2H+Na"	20.974666
"1621040"	368.257066	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Na-2H"	20.974666
"97931"	364.263463	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M-H+Cl"	33.962126
"541502"	537.904663	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M-H+Cl"	33.962126
"933922"	190.622263	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-H+Cl"	33.962126
"277949"	729.534202	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+Cl"	34.969402
"671466"	1076.816602	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+Cl"	34.969402
"1284962"	382.251802	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Cl"	34.969402
"27519"	731.513406	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M-2H+K"	36.948606
"469995"	1078.795806	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M-2H+K"	36.948606
"843790"	384.231006	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-2H+K"	36.948606
"1565818"	384.231006	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+K-2H"	36.948606
"956255"	392.280594	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-H+HCOOH"	44.998194
"375199"	739.563001	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+HCOOH-H"	44.998201
"350334"	753.578651	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+Hac-H"	59.013851
"1504999"	406.296251	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Hac-H"	59.013851
"969262"	414.262551	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-H+NaCOOH"	66.980151
"121450"	382.251802	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+2Cl"	69.938804
"556639"	555.893002	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+2Cl"	69.938804
"1029812"	208.610602	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2Cl"	69.938804
"1249391"	426.201285	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Br"	78.918885
"1310746"	428.257272	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Cl+HCOOH"	80.974872
"1326057"	450.239229	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Cl+NaCOOH"	102.956829
"920398"	460.267986	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M-H+CF3COOH"	112.985586
"1292731"	496.244664	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Cl+CF3COOH"	148.962264
"1371254"	312.269724	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H-2H2O"	-35.012676
"1386925"	330.2797	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H-H2O"	-17.0027
"286980"	695.572076	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+H"	1.007276
"679401"	1042.854476	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+H"	1.007276
"1353561"	348.289676	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H"	1.007276
"130828"	348.289676	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+2H"	2.014552
"569295"	521.930876	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+2H"	2.014552
"1039187"	174.648476	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2H"	2.014552
"207091"	232.528876	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+3H"	3.021828
"645190"	348.289676	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+3H"	3.021828
"1170976"	116.768076	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+3H"	3.021828
"429144"	712.598623	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+NH4"	18.033823
"787221"	1059.881023	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+NH4"	18.033823
"1687563"	365.316223	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+NH4"	18.033823
"331104"	356.8029495	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+H+NH4"	19.041099
"723156"	530.4441495	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+H+NH4"	19.041099
"1479530"	183.1617495	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H+NH4"	19.041099
"393059"	717.554018	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+Na"	22.989218
"754350"	1064.836418	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+Na"	22.989218
"1602757"	370.271618	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Na"	22.989218
"314913"	359.280647	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+H+Na"	23.996494
"708794"	532.921847	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+H+Na"	23.996494
"1462249"	185.639447	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H+Na"	23.996494
"1053186"	124.09539	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2H+Na"	25.00377
"1257210"	380.315886	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+CH3OH+H"	33.033486
"378547"	733.527958	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+K"	38.963158
"745016"	1080.810358	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+K"	38.963158
"1544884"	386.245558	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+K"	38.963158
"300234"	367.267617	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+H+K"	39.970434
"697760"	540.908817	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+H+K"	39.970434
"1454861"	193.626417	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H+K"	39.970434
"240189"	736.598626	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+ACN+H"	42.033826
"1211802"	389.316226	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+ACN+H"	42.033826
"1195685"	195.161751	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+ACN+2H"	43.041102
"190134"	739.53596	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+2Na-H"	44.97116
"629935"	1086.81836	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+2Na-H"	44.97116
"1132709"	392.25356	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2Na-H"	44.97116
"173129"	370.271618	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+2Na"	45.978436
"613094"	543.912818	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+2Na"	45.978436
"1116520"	196.630418	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2Na"	45.978436
"1402968"	131.422704	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H+2Na"	46.985712
"1431684"	394.295146	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H+HCOOH"	47.012746
"221133"	375.30464	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+3H2O+2H"	56.04448
"1509436"	408.34719	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+IsoProp+H"	61.06479
"411433"	378.258588	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+Na+K"	61.952376
"772067"	551.899788	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+Na+K"	61.952376
"1672770"	204.617388	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Na+K"	61.952376
"259290"	758.580568	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+ACN+Na"	64.015768
"1230905"	411.298168	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+ACN+Na"	64.015768
"1717606"	411.321693	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+NH4+HCOOH"	64.039293
"1188429"	138.750018	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+3Na"	68.967654
"1662697"	416.277088	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Na+HCOOH"	68.994688
"170651"	771.48384	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+2K-H"	76.91904
"606934"	1118.76624	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+2K-H"	76.91904
"1095819"	424.20144	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2K-H"	76.91904
"154821"	386.245558	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"2M+2K"	77.926316
"596654"	559.886758	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"3M+2K"	77.926316
"1084042"	212.604358	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2K"	77.926316
"1112102"	426.215992	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2K+H"	78.933592
"1345212"	426.303607	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+DMSO+H"	79.021207
"1011556"	430.342776	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2ACN+H"	83.060376
"1530774"	431.336408	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+IsoProp+Na+H"	84.054008
"991754"	215.675026	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+2ACN+2H"	84.067652
"1587842"	432.251028	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+K+HCOOH"	84.968628
"1426143"	462.282538	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+H+CF3COOH"	115.000138
"1149869"	236.188301	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+3ACN+2H"	125.094202
"1712062"	479.309085	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+NH4+CF3COOH"	132.026685
"1647834"	484.26448	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+Na+CF3COOH"	136.98208
"1578378"	500.23842	"C11695"	"Anandamide;Arachidonylethanolamide;N-(5Z8Z11Z14Z-icosatetraenoyl)-ethanolamide;AEA"	"C22H37NO2"	"347.2824"	"M+K+CF3COOH"	152.95602
"814215"	266.163	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M"	0
"983373"	247.14461	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-H2O-H"	-19.01839
"71617"	176.434724	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M-3H"	-3.021828
"505709"	265.155724	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M-3H"	-3.021828
"886791"	87.713724	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-3H"	-3.021828
"5365"	265.155724	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M-2H"	-2.014552
"451485"	398.237224	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M-2H"	-2.014552
"831352"	132.074224	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-2H"	-2.014552
"88186"	531.318724	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M-H"	-1.007276
"531026"	797.481724	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M-H"	-1.007276
"905557"	265.155724	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-H"	-1.007276
"58475"	548.345271	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M-2H+NH4"	16.019271
"492202"	814.508271	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M-2H+NH4"	16.019271
"870733"	282.182271	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-2H+NH4"	16.019271
"40819"	553.300666	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M-2H+Na"	20.974666
"479285"	819.463666	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M-2H+Na"	20.974666
"857087"	287.137666	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-2H+Na"	20.974666
"1627711"	287.137666	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Na-2H"	20.974666
"105334"	283.144063	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M-H+Cl"	33.962126
"542708"	416.225563	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M-H+Cl"	33.962126
"938414"	150.062563	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-H+Cl"	33.962126
"278791"	567.295402	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+Cl"	34.969402
"671577"	833.458402	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+Cl"	34.969402
"1285438"	301.132402	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Cl"	34.969402
"28363"	569.274606	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M-2H+K"	36.948606
"470596"	835.437606	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M-2H+K"	36.948606
"846086"	303.111606	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-2H+K"	36.948606
"1565203"	303.111606	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+K-2H"	36.948606
"953813"	311.161194	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-H+HCOOH"	44.998194
"375673"	577.324201	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+HCOOH-H"	44.998201
"355181"	591.339851	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+Hac-H"	59.013851
"1500733"	325.176851	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Hac-H"	59.013851
"967186"	333.143151	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-H+NaCOOH"	66.980151
"122658"	301.132402	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+2Cl"	69.938804
"556751"	434.213902	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+2Cl"	69.938804
"1027737"	168.050902	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2Cl"	69.938804
"1248410"	345.081885	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Br"	78.918885
"1313047"	347.137872	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Cl+HCOOH"	80.974872
"1333097"	369.119829	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Cl+NaCOOH"	102.956829
"917229"	379.148586	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M-H+CF3COOH"	112.985586
"1292841"	415.125264	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Cl+CF3COOH"	148.962264
"1379390"	231.150324	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H-2H2O"	-35.012676
"1388501"	249.1603	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H-H2O"	-17.0027
"288186"	533.333276	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+H"	1.007276
"678053"	799.496276	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+H"	1.007276
"1356956"	267.170276	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H"	1.007276
"128754"	267.170276	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+2H"	2.014552
"570501"	400.251776	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+2H"	2.014552
"1044770"	134.088776	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2H"	2.014552
"207206"	178.449276	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+3H"	3.021828
"646768"	267.170276	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+3H"	3.021828
"1167079"	89.728276	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+3H"	3.021828
"425249"	550.359823	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+NH4"	18.033823
"790253"	816.522823	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+NH4"	18.033823
"1686582"	284.196823	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+NH4"	18.033823
"330847"	275.6835495	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+H+NH4"	19.041099
"723632"	408.7650495	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+H+NH4"	19.041099
"1477203"	142.6020495	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H+NH4"	19.041099
"393455"	555.315218	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+Na"	22.989218
"754576"	821.478218	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+Na"	22.989218
"1602773"	289.152218	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Na"	22.989218
"317096"	278.161247	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+H+Na"	23.996494
"711339"	411.242747	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+H+Na"	23.996494
"1462970"	145.079747	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H+Na"	23.996494
"1056951"	97.05559	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2H+Na"	25.00377
"1267748"	299.196486	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+CH3OH+H"	33.033486
"387417"	571.289158	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+K"	38.963158
"749504"	837.452158	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+K"	38.963158
"1548276"	305.126158	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+K"	38.963158
"307640"	286.148217	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+H+K"	39.970434
"700067"	419.229717	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+H+K"	39.970434
"1447689"	153.066717	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H+K"	39.970434
"240300"	574.359826	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+ACN+H"	42.033826
"1215195"	308.196826	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+ACN+H"	42.033826
"1196889"	154.602051	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+ACN+2H"	43.041102
"189032"	577.29716	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+2Na-H"	44.97116
"628555"	843.46016	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+2Na-H"	44.97116
"1131348"	311.13416	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2Na-H"	44.97116
"173013"	289.152218	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+2Na"	45.978436
"612841"	422.233718	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+2Na"	45.978436
"1116271"	156.070718	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2Na"	45.978436
"1400889"	104.382904	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H+2Na"	46.985712
"1435926"	313.175746	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H+HCOOH"	47.012746
"223431"	294.18524	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+3H2O+2H"	56.04448
"1518059"	327.22779	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+IsoProp+H"	61.06479
"413734"	297.139188	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+Na+K"	61.952376
"780925"	430.220688	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+Na+K"	61.952376
"1677256"	164.057688	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Na+K"	61.952376
"263412"	596.341768	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+ACN+Na"	64.015768
"1238309"	330.178768	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+ACN+Na"	64.015768
"1725010"	330.202293	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+NH4+HCOOH"	64.039293
"1188542"	111.710218	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+3Na"	68.967654
"1659531"	335.157688	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Na+HCOOH"	68.994688
"166390"	609.24504	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+2K-H"	76.91904
"605952"	875.40804	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+2K-H"	76.91904
"1098118"	343.08204	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2K-H"	76.91904
"153840"	305.126158	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"2M+2K"	77.926316
"596439"	438.207658	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"3M+2K"	77.926316
"1080104"	172.044658	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2K"	77.926316
"1105660"	345.096592	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2K+H"	78.933592
"1339857"	345.184207	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+DMSO+H"	79.021207
"1010570"	349.223376	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2ACN+H"	83.060376
"1526147"	350.217008	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+IsoProp+Na+H"	84.054008
"994059"	175.115326	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+2ACN+2H"	84.067652
"1588561"	351.131628	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+K+HCOOH"	84.968628
"1426255"	381.163138	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+H+CF3COOH"	115.000138
"1162501"	195.628601	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+3ACN+2H"	125.094202
"1709379"	398.189685	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+NH4+CF3COOH"	132.026685
"1646118"	403.14508	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+Na+CF3COOH"	136.98208
"1575209"	419.11902	"C11696"	"Practolol"	"C14H22N2O3"	"266.163"	"M+K+CF3COOH"	152.95602
"812135"	286.1317	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M"	0
"981296"	267.11331	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H2O-H"	-19.01839
"70634"	189.747190666667	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-3H"	-3.021828
"509099"	285.124424	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-3H"	-3.021828
"889088"	94.3699573333333	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-3H"	-3.021828
"5475"	285.124424	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H"	-2.014552
"446128"	428.190274	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H"	-2.014552
"827209"	142.058574	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H"	-2.014552
"82828"	571.256124	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-H"	-1.007276
"528949"	857.387824	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-H"	-1.007276
"906761"	285.124424	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H"	-1.007276
"54575"	588.282671	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H+NH4"	16.019271
"496689"	874.414371	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H+NH4"	16.019271
"874124"	302.150971	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H+NH4"	16.019271
"41298"	593.238066	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H+Na"	20.974666
"480491"	879.369766	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H+Na"	20.974666
"857198"	307.106366	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H+Na"	20.974666
"1630014"	307.106366	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na-2H"	20.974666
"106175"	303.112763	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-H+Cl"	33.962126
"543915"	446.178613	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-H+Cl"	33.962126
"938525"	160.046913	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+Cl"	33.962126
"280728"	607.232802	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Cl"	34.969402
"672054"	893.364502	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+Cl"	34.969402
"1285186"	321.101102	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl"	34.969402
"28473"	609.212006	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H+K"	36.948606
"470224"	895.343706	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H+K"	36.948606
"845833"	323.080306	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H+K"	36.948606
"1566408"	323.080306	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K-2H"	36.948606
"955017"	331.129894	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+HCOOH"	44.998194
"373963"	617.261601	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+HCOOH-H"	44.998201
"356387"	631.277251	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Hac-H"	59.013851
"1501937"	345.145551	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Hac-H"	59.013851
"969483"	353.111851	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+NaCOOH"	66.980151
"117299"	321.101102	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2Cl"	69.938804
"553584"	464.166952	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2Cl"	69.938804
"1026754"	178.035252	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2Cl"	69.938804
"1250708"	365.050585	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Br"	78.918885
"1312064"	367.106572	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl+HCOOH"	80.974872
"1333207"	389.088529	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl+NaCOOH"	102.956829
"922808"	399.117286	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+CF3COOH"	112.985586
"1302069"	435.093964	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl+CF3COOH"	148.962264
"1381689"	251.119024	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H-2H2O"	-35.012676
"1391891"	269.129	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H-H2O"	-17.0027
"292673"	573.270676	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H"	1.007276
"688740"	859.402376	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H"	1.007276
"1361442"	287.138976	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H"	1.007276
"133236"	287.138976	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2H"	2.014552
"572797"	430.204826	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2H"	2.014552
"1044880"	144.073126	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2H"	2.014552
"207316"	191.761742666667	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+3H"	3.021828
"649065"	287.138976	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+3H"	3.021828
"1168284"	96.3845093333334	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+3H"	3.021828
"429369"	590.297223	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+NH4"	18.033823
"793643"	876.428923	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+NH4"	18.033823
"1687785"	304.165523	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+NH4"	18.033823
"330833"	295.6522495	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H+NH4"	19.041099
"724474"	438.7180995	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H+NH4"	19.041099
"1477477"	152.5863995	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+NH4"	19.041099
"394051"	595.252618	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Na"	22.989218
"754687"	881.384318	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+Na"	22.989218
"1603271"	309.120918	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na"	22.989218
"316477"	298.129947	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H+Na"	23.996494
"710719"	441.195797	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H+Na"	23.996494
"1465265"	155.064097	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+Na"	23.996494
"1057425"	103.711823333333	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2H+Na"	25.00377
"1265671"	319.165186	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+CH3OH+H"	33.033486
"388257"	611.226558	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+K"	38.963158
"750708"	897.358258	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+K"	38.963158
"1549480"	325.094858	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K"	38.963158
"307750"	306.116917	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H+K"	39.970434
"702363"	449.182767	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H+K"	39.970434
"1447435"	163.051067	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+K"	39.970434
"239316"	614.297226	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+ACN+H"	42.033826
"1214212"	328.165526	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+ACN+H"	42.033826
"1194692"	164.586401	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+ACN+2H"	43.041102
"189263"	617.23456	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2Na-H"	44.97116
"629021"	903.36626	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2Na-H"	44.97116
"1131845"	331.10286	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2Na-H"	44.97116
"173556"	309.120918	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2Na"	45.978436
"613274"	452.186768	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2Na"	45.978436
"1115760"	166.055068	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2Na"	45.978436
"1400632"	111.039137333333	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+2Na"	46.985712
"1430800"	333.144446	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+HCOOH"	47.012746
"222450"	314.15394	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+3H2O+2H"	56.04448
"1521817"	347.19649	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+IsoProp+H"	61.06479
"418949"	317.107888	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Na+K"	61.952376
"774477"	460.173738	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+Na+K"	61.952376
"1674087"	174.042038	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na+K"	61.952376
"256231"	636.279168	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+ACN+Na"	64.015768
"1232223"	350.147468	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+ACN+Na"	64.015768
"1721108"	350.170993	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+NH4+HCOOH"	64.039293
"1187559"	118.366451333333	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+3Na"	68.967654
"1660734"	355.126388	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na+HCOOH"	68.994688
"165407"	649.18244	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2K-H"	76.91904
"604969"	935.31414	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2K-H"	76.91904
"1092761"	363.05074	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2K-H"	76.91904
"152856"	325.094858	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2K"	77.926316
"592418"	468.160708	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2K"	77.926316
"1071468"	182.029008	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2K"	77.926316
"1102489"	365.065292	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2K+H"	78.933592
"1337779"	365.152907	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+DMSO+H"	79.021207
"1007035"	369.192076	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2ACN+H"	83.060376
"1525650"	370.185708	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+IsoProp+Na+H"	84.054008
"996355"	185.099676	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2ACN+2H"	84.067652
"1588671"	371.100328	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K+HCOOH"	84.968628
"1428555"	401.131838	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+CF3COOH"	115.000138
"1162126"	205.612951	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+3ACN+2H"	125.094202
"1712633"	418.158385	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+NH4+CF3COOH"	132.026685
"1647322"	423.11378	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na+CF3COOH"	136.98208
"1578599"	439.08772	"C11697"	"Levcromakalim;(-)-Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K+CF3COOH"	152.95602
"815895"	265.1842	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M"	0
"983594"	246.16581	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-H2O-H"	-19.01839
"67461"	175.782190666667	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M-3H"	-3.021828
"509208"	264.176924	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M-3H"	-3.021828
"891384"	87.3874573333333	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-3H"	-3.021828
"5585"	264.176924	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M-2H"	-2.014552
"448423"	396.769024	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M-2H"	-2.014552
"830966"	131.584824	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-2H"	-2.014552
"89499"	529.361124	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M-H"	-1.007276
"529059"	794.545324	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M-H"	-1.007276
"907966"	264.176924	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-H"	-1.007276
"61861"	546.387671	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M-2H+NH4"	16.019271
"502562"	811.571871	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M-2H+NH4"	16.019271
"879591"	281.203471	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-2H+NH4"	16.019271
"46515"	551.343066	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M-2H+Na"	20.974666
"484248"	816.527266	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M-2H+Na"	20.974666
"860957"	286.158866	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-2H+Na"	20.974666
"1629396"	286.158866	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Na-2H"	20.974666
"106654"	282.165263	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M-H+Cl"	33.962126
"549825"	414.757363	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M-H+Cl"	33.962126
"941311"	149.573163	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-H+Cl"	33.962126
"281081"	565.337802	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+Cl"	34.969402
"673867"	830.522002	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+Cl"	34.969402
"1285660"	300.153602	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Cl"	34.969402
"30409"	567.317006	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M-2H+K"	36.948606
"470459"	832.501206	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M-2H+K"	36.948606
"847645"	302.132806	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-2H+K"	36.948606
"1566517"	302.132806	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+K-2H"	36.948606
"955128"	310.182394	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-H+HCOOH"	44.998194
"374437"	575.366601	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+HCOOH-H"	44.998201
"357227"	589.382251	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+Hac-H"	59.013851
"1505695"	324.198051	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Hac-H"	59.013851
"970689"	332.164351	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-H+NaCOOH"	66.980151
"121786"	300.153602	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+2Cl"	69.938804
"558070"	432.745702	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+2Cl"	69.938804
"1030150"	167.561502	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2Cl"	69.938804
"1250817"	344.103085	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Br"	78.918885
"1315455"	346.159072	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Cl+HCOOH"	80.974872
"1330765"	368.141029	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Cl+NaCOOH"	102.956829
"919634"	378.169786	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M-H+CF3COOH"	112.985586
"1302179"	414.146464	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Cl+CF3COOH"	148.962264
"1381555"	230.171524	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H-2H2O"	-35.012676
"1392730"	248.1815	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H-H2O"	-17.0027
"298012"	531.375676	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+H"	1.007276
"689214"	796.559876	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+H"	1.007276
"1362282"	266.191476	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H"	1.007276
"134805"	266.191476	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+2H"	2.014552
"574730"	398.783576	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+2H"	2.014552
"1046083"	133.599376	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2H"	2.014552
"209614"	177.796742666667	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+3H"	3.021828
"654643"	266.191476	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+3H"	3.021828
"1171675"	89.4020093333333	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+3H"	3.021828
"428386"	548.402223	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+NH4"	18.033823
"797033"	813.586423	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+NH4"	18.033823
"1692999"	283.218023	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+NH4"	18.033823
"338361"	274.7047495	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+H+NH4"	19.041099
"724463"	407.2968495	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+H+NH4"	19.041099
"1477672"	142.1126495	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H+NH4"	19.041099
"393555"	553.357618	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+Na"	22.989218
"755160"	818.541818	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+Na"	22.989218
"1603134"	288.173418	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Na"	22.989218
"316949"	277.182447	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+H+Na"	23.996494
"709370"	409.774547	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+H+Na"	23.996494
"1464282"	144.590347	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H+Na"	23.996494
"1053314"	96.7293233333333	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2H+Na"	25.00377
"1269063"	298.217686	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+CH3OH+H"	33.033486
"390556"	569.331558	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+K"	38.963158
"752280"	834.515758	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+K"	38.963158
"1553965"	304.147358	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+K"	38.963158
"310048"	285.169417	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+H+K"	39.970434
"703570"	417.761517	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+H+K"	39.970434
"1454109"	152.577317	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H+K"	39.970434
"241616"	572.402226	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+ACN+H"	42.033826
"1217606"	307.218026	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+ACN+H"	42.033826
"1201489"	154.112651	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+ACN+2H"	43.041102
"197639"	575.33956	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+2Na-H"	44.97116
"635012"	840.52376	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+2Na-H"	44.97116
"1134142"	310.15536	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2Na-H"	44.97116
"173581"	288.173418	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+2Na"	45.978436
"613141"	420.765518	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+2Na"	45.978436
"1119412"	155.581318	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2Na"	45.978436
"1402568"	104.056637333333	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H+2Na"	46.985712
"1432499"	312.196946	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H+HCOOH"	47.012746
"220326"	293.20644	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+3H2O+2H"	56.04448
"1509033"	326.24899	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+IsoProp+H"	61.06479
"408886"	296.160388	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+Na+K"	61.952376
"773126"	428.752488	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+Na+K"	61.952376
"1670917"	163.568288	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Na+K"	61.952376
"258529"	594.384168	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+ACN+Na"	64.015768
"1232333"	329.199968	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+ACN+Na"	64.015768
"1719032"	329.223493	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+NH4+HCOOH"	64.039293
"1190949"	111.383951333333	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+3Na"	68.967654
"1661937"	334.178888	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Na+HCOOH"	68.994688
"166610"	607.28744	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+2K-H"	76.91904
"605080"	872.47164	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+2K-H"	76.91904
"1093964"	342.10324	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2K-H"	76.91904
"154059"	304.147358	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"2M+2K"	77.926316
"592526"	436.739458	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"3M+2K"	77.926316
"1072670"	171.555258	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2K"	77.926316
"1104786"	344.117792	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2K+H"	78.933592
"1337523"	344.205407	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+DMSO+H"	79.021207
"1007874"	348.244576	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2ACN+H"	83.060376
"1525030"	349.238208	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+IsoProp+Na+H"	84.054008
"996465"	174.625926	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+2ACN+2H"	84.067652
"1588781"	350.152828	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+K+HCOOH"	84.968628
"1427573"	380.184338	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+H+CF3COOH"	115.000138
"1161385"	195.139201	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+3ACN+2H"	125.094202
"1711785"	397.210885	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+NH4+CF3COOH"	132.026685
"1647432"	402.16628	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+Na+CF3COOH"	136.98208
"1578709"	418.14022	"C11698"	"UH-301"	"C16H24FNO"	"265.1842"	"M+K+CF3COOH"	152.95602
"815635"	431.1897	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M"	0
"977143"	412.17131	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-H2O-H"	-19.01839
"64653"	286.452524	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M-3H"	-3.021828
"504578"	430.182424	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M-3H"	-3.021828
"883838"	142.722624	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-3H"	-3.021828
"1683"	430.182424	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M-2H"	-2.014552
"445617"	645.777274	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M-2H"	-2.014552
"819773"	214.587574	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-2H"	-2.014552
"85234"	861.372124	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M-H"	-1.007276
"520785"	1292.561824	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M-H"	-1.007276
"908075"	430.182424	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-H"	-1.007276
"61616"	878.398671	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M-2H+NH4"	16.019271
"501782"	1309.588371	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M-2H+NH4"	16.019271
"878489"	447.208971	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-2H+NH4"	16.019271
"45652"	883.354066	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M-2H+Na"	20.974666
"483993"	1314.543766	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M-2H+Na"	20.974666
"859608"	452.164366	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-2H+Na"	20.974666
"1629867"	452.164366	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Na-2H"	20.974666
"105666"	448.170763	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M-H+Cl"	33.962126
"548998"	663.765613	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M-H+Cl"	33.962126
"941297"	232.575913	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-H+Cl"	33.962126
"280947"	897.348802	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+Cl"	34.969402
"674098"	1328.538502	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+Cl"	34.969402
"1286134"	466.159102	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Cl"	34.969402
"30761"	899.328006	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M-2H+K"	36.948606
"471132"	1330.517706	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M-2H+K"	36.948606
"848480"	468.138306	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-2H+K"	36.948606
"1565535"	468.138306	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+K-2H"	36.948606
"954509"	476.187894	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-H+HCOOH"	44.998194
"374911"	907.377601	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+HCOOH-H"	44.998201
"357700"	921.393251	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+Hac-H"	59.013851
"1505805"	490.203551	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Hac-H"	59.013851
"969340"	498.169851	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-H+NaCOOH"	66.980151
"121895"	466.159102	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+2Cl"	69.938804
"561096"	681.753952	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+2Cl"	69.938804
"1032447"	250.564252	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2Cl"	69.938804
"1248741"	510.108585	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Br"	78.918885
"1313378"	512.164572	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Cl+HCOOH"	80.974872
"1331968"	534.146529	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Cl+NaCOOH"	102.956829
"917558"	544.175286	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M-H+CF3COOH"	112.985586
"1301924"	580.151964	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Cl+CF3COOH"	148.962264
"1380085"	396.177024	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H-2H2O"	-35.012676
"1389925"	414.187	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H-H2O"	-17.0027
"297268"	863.386676	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+H"	1.007276
"689324"	1294.576376	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+H"	1.007276
"1362756"	432.196976	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H"	1.007276
"132364"	432.196976	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+2H"	2.014552
"573018"	647.791826	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+2H"	2.014552
"1045100"	216.602126	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2H"	2.014552
"208631"	288.467076	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+3H"	3.021828
"654753"	432.196976	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+3H"	3.021828
"1170692"	144.737176	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+3H"	3.021828
"430682"	880.413223	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+NH4"	18.033823
"793863"	1311.602923	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+NH4"	18.033823
"1693473"	449.223523	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+NH4"	18.033823
"338471"	440.7102495	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+H+NH4"	19.041099
"724331"	656.3050995	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+H+NH4"	19.041099
"1477036"	225.1153995	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H+NH4"	19.041099
"392893"	885.368618	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+Na"	22.989218
"754539"	1316.558318	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+Na"	22.989218
"1602755"	454.178918	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Na"	22.989218
"315601"	443.187947	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+H+Na"	23.996494
"709479"	658.782797	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+H+Na"	23.996494
"1462080"	227.593097	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H+Na"	23.996494
"1053178"	152.06449	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2H+Na"	25.00377
"1268080"	464.223186	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+CH3OH+H"	33.033486
"386657"	901.342558	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+K"	38.963158
"749838"	1332.532258	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+K"	38.963158
"1550795"	470.152858	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+K"	38.963158
"306878"	451.174917	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+H+K"	39.970434
"703680"	666.769767	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+H+K"	39.970434
"1454219"	235.580067	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H+K"	39.970434
"240633"	904.413226	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+ACN+H"	42.033826
"1218810"	473.223526	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+ACN+H"	42.033826
"1201599"	237.115401	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+ACN+2H"	43.041102
"197749"	907.35056	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+2Na-H"	44.97116
"636214"	1338.54026	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+2Na-H"	44.97116
"1131698"	476.16086	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2Na-H"	44.97116
"173159"	454.178918	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+2Na"	45.978436
"612952"	669.773768	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+2Na"	45.978436
"1121710"	238.584068	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2Na"	45.978436
"1401949"	159.391804	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H+2Na"	46.985712
"1432971"	478.202446	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H+HCOOH"	47.012746
"220276"	459.21194	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+3H2O+2H"	56.04448
"1510360"	492.25449	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+IsoProp+H"	61.06479
"409436"	462.165888	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+Na+K"	61.952376
"770432"	677.760738	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+Na+K"	61.952376
"1669932"	246.571038	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Na+K"	61.952376
"256452"	926.395168	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+ACN+Na"	64.015768
"1230620"	495.205468	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+ACN+Na"	64.015768
"1719142"	495.228993	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+NH4+HCOOH"	64.039293
"1188872"	166.719118	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+3Na"	68.967654
"1663140"	500.184388	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Na+HCOOH"	68.994688
"166720"	939.29844	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+2K-H"	76.91904
"606283"	1370.48814	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+2K-H"	76.91904
"1095167"	508.10874	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2K-H"	76.91904
"151981"	470.152858	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"2M+2K"	77.926316
"589356"	685.747708	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"3M+2K"	77.926316
"1071687"	254.558008	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2K"	77.926316
"1104894"	510.123292	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2K+H"	78.933592
"1341278"	510.210907	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+DMSO+H"	79.021207
"1008714"	514.250076	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2ACN+H"	83.060376
"1525747"	515.243708	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+IsoProp+Na+H"	84.054008
"995482"	257.628676	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+2ACN+2H"	84.067652
"1588891"	516.158328	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+K+HCOOH"	84.968628
"1428411"	546.189838	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+H+CF3COOH"	115.000138
"1162223"	278.141951	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+3ACN+2H"	125.094202
"1711532"	563.216385	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+NH4+CF3COOH"	132.026685
"1647542"	568.17178	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+Na+CF3COOH"	136.98208
"1578819"	584.14572	"C11699"	"Glenvastatin;HR 780"	"C27H26FNO3"	"431.1897"	"M+K+CF3COOH"	152.95602
"812465"	544.2308	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M"	0
"981626"	525.21241	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-H2O-H"	-19.01839
"65127"	361.813257333333	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M-3H"	-3.021828
"504688"	543.223524	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M-3H"	-3.021828
"883948"	180.402990666667	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-3H"	-3.021828
"2524"	543.223524	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M-2H"	-2.014552
"445363"	815.338924	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M-2H"	-2.014552
"817695"	271.108124	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-2H"	-2.014552
"82064"	1087.454324	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M-H"	-1.007276
"518676"	1631.685124	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M-H"	-1.007276
"910007"	543.223524	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-H"	-1.007276
"61958"	1104.480871	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M-2H+NH4"	16.019271
"500666"	1648.711671	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M-2H+NH4"	16.019271
"878468"	560.250071	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-2H+NH4"	16.019271
"45274"	1109.436266	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M-2H+Na"	20.974666
"485197"	1653.667066	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M-2H+Na"	20.974666
"857531"	565.205466	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-2H+Na"	20.974666
"1627063"	565.205466	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Na-2H"	20.974666
"101405"	561.211863	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M-H+Cl"	33.962126
"547894"	833.327263	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M-H+Cl"	33.962126
"935575"	289.096463	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-H+Cl"	33.962126
"276316"	1123.431002	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+Cl"	34.969402
"673111"	1667.661802	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+Cl"	34.969402
"1284421"	579.200202	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Cl"	34.969402
"30501"	1125.410206	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M-2H+K"	36.948606
"470548"	1669.641006	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M-2H+K"	36.948606
"844339"	581.179406	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-2H+K"	36.948606
"1562362"	581.179406	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+K-2H"	36.948606
"946966"	589.228994	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-H+HCOOH"	44.998194
"366637"	1133.459801	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+HCOOH-H"	44.998201
"351613"	1147.475451	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+Hac-H"	59.013851
"1501177"	603.244651	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Hac-H"	59.013851
"961430"	611.210951	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-H+NaCOOH"	66.980151
"115805"	579.200202	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+2Cl"	69.938804
"551363"	851.315602	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+2Cl"	69.938804
"1025995"	307.084802	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2Cl"	69.938804
"1244479"	623.149685	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Br"	78.918885
"1311302"	625.205672	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Cl+HCOOH"	80.974872
"1327704"	647.187629	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Cl+NaCOOH"	102.956829
"920951"	657.216386	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M-H+CF3COOH"	112.985586
"1297660"	693.193064	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Cl+CF3COOH"	148.962264
"1376915"	509.218124	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H-2H2O"	-35.012676
"1395505"	527.2281	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H-H2O"	-17.0027
"295920"	1089.468876	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+H"	1.007276
"681051"	1633.699676	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+H"	1.007276
"1357401"	545.238076	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H"	1.007276
"136851"	545.238076	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+2H"	2.014552
"569849"	817.353476	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+2H"	2.014552
"1041930"	273.122676	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2H"	2.014552
"210929"	363.827809333333	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+3H"	3.021828
"653770"	545.238076	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+3H"	3.021828
"1169709"	182.417542666667	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+3H"	3.021828
"430794"	1106.495423	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+NH4"	18.033823
"792881"	1650.726223	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+NH4"	18.033823
"1690304"	562.264623	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+NH4"	18.033823
"338581"	553.7513495	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+H+NH4"	19.041099
"724076"	825.8667495	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+H+NH4"	19.041099
"1477323"	281.6359495	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H+NH4"	19.041099
"393046"	1111.450818	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+Na"	22.989218
"754418"	1655.681618	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+Na"	22.989218
"1602993"	567.220018	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Na"	22.989218
"314287"	556.229047	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+H+Na"	23.996494
"707230"	828.344447	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+H+Na"	23.996494
"1461533"	284.113647	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H+Na"	23.996494
"1054583"	189.744856666667	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2H+Na"	25.00377
"1266004"	577.264286	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+CH3OH+H"	33.033486
"388954"	1127.424758	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+K"	38.963158
"751044"	1671.655558	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+K"	38.963158
"1549816"	583.193958	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+K"	38.963158
"311364"	564.216017	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+H+K"	39.970434
"699418"	836.331417	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+H+K"	39.970434
"1456517"	292.100617	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H+K"	39.970434
"240014"	1130.495426	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+ACN+H"	42.033826
"1215272"	586.264626	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+ACN+H"	42.033826
"1200614"	293.635951	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+ACN+2H"	43.041102
"196400"	1133.43276	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+2Na-H"	44.97116
"630494"	1677.66356	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+2Na-H"	44.97116
"1132781"	589.20196	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2Na-H"	44.97116
"174007"	567.220018	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+2Na"	45.978436
"619042"	839.335418	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+2Na"	45.978436
"1124008"	295.104618	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2Na"	45.978436
"1403159"	197.072170666667	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H+2Na"	46.985712
"1433450"	591.243546	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H+HCOOH"	47.012746
"220467"	572.25304	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+3H2O+2H"	56.04448
"1508649"	605.29559	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+IsoProp+H"	61.06479
"410892"	575.206988	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+Na+K"	61.952376
"771888"	847.322388	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+Na+K"	61.952376
"1671135"	303.091588	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Na+K"	61.952376
"256563"	1152.477368	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+ACN+Na"	64.015768
"1230366"	608.246568	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+ACN+Na"	64.015768
"1718157"	608.270093	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+NH4+HCOOH"	64.039293
"1186795"	204.399484666667	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+3Na"	68.967654
"1663250"	613.225488	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Na+HCOOH"	68.994688
"164644"	1165.38064	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+2K-H"	76.91904
"605299"	1709.61144	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+2K-H"	76.91904
"1091997"	621.14984	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2K-H"	76.91904
"148811"	583.193958	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"2M+2K"	77.926316
"587279"	855.309358	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"3M+2K"	77.926316
"1073982"	311.078558	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2K"	77.926316
"1102088"	623.164392	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2K+H"	78.933592
"1341388"	623.252007	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+DMSO+H"	79.021207
"1007001"	627.291176	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2ACN+H"	83.060376
"1525978"	628.284808	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+IsoProp+Na+H"	84.054008
"995592"	314.149226	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+2ACN+2H"	84.067652
"1589365"	629.199428	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+K+HCOOH"	84.968628
"1427431"	659.230938	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+H+CF3COOH"	115.000138
"1162094"	334.662501	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+3ACN+2H"	125.094202
"1712007"	676.257485	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+NH4+CF3COOH"	132.026685
"1647652"	681.21288	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+Na+CF3COOH"	136.98208
"1578929"	697.18682	"C11700"	"10-Deacetylbaccatin III"	"C29H36O10"	"544.2308"	"M+K+CF3COOH"	152.95602
"812575"	338.045	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M"	0
"977360"	319.02661	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-H2O-H"	-19.01839
"66696"	224.356057333333	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M-3H"	-3.021828
"504069"	337.037724	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M-3H"	-3.021828
"880057"	111.674390666667	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-3H"	-3.021828
"1540"	337.037724	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M-2H"	-2.014552
"440734"	506.060224	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M-2H"	-2.014552
"817185"	168.015224	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-2H"	-2.014552
"80108"	675.082724	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M-H"	-1.007276
"518732"	1013.127724	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M-H"	-1.007276
"909875"	337.037724	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-H"	-1.007276
"62718"	692.109271	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M-2H+NH4"	16.019271
"502525"	1030.154271	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M-2H+NH4"	16.019271
"879759"	354.064271	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-2H+NH4"	16.019271
"47139"	697.064666	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M-2H+Na"	20.974666
"487070"	1035.109666	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M-2H+Na"	20.974666
"858736"	359.019666	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-2H+Na"	20.974666
"1628268"	359.019666	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Na-2H"	20.974666
"100422"	355.026063	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M-H+Cl"	33.962126
"548368"	524.048563	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M-H+Cl"	33.962126
"937873"	186.003563	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-H+Cl"	33.962126
"273148"	711.059402	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+Cl"	34.969402
"668483"	1049.104402	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+Cl"	34.969402
"1284532"	373.014402	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Cl"	34.969402
"28910"	713.038606	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M-2H+K"	36.948606
"464460"	1051.083606	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M-2H+K"	36.948606
"841170"	374.993606	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-2H+K"	36.948606
"1557734"	374.993606	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+K-2H"	36.948606
"944159"	383.043194	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-H+HCOOH"	44.998194
"365289"	721.088201	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+HCOOH-H"	44.998201
"348446"	735.103851	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+Hac-H"	59.013851
"1501287"	397.058851	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Hac-H"	59.013851
"961540"	405.025151	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-H+NaCOOH"	66.980151
"115914"	373.014402	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+2Cl"	69.938804
"555121"	542.036902	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+2Cl"	69.938804
"1030481"	203.991902	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2Cl"	69.938804
"1251152"	416.963885	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Br"	78.918885
"1311412"	419.019872	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Cl+HCOOH"	80.974872
"1325627"	441.001829	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Cl+NaCOOH"	102.956829
"918874"	451.030586	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M-H+CF3COOH"	112.985586
"1295584"	487.007264	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Cl+CF3COOH"	148.962264
"1379213"	303.032324	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H-2H2O"	-35.012676
"1395615"	321.0423	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H-H2O"	-17.0027
"294207"	677.097276	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+H"	1.007276
"683350"	1015.142276	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+H"	1.007276
"1355324"	339.052276	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H"	1.007276
"136961"	339.052276	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+2H"	2.014552
"568865"	508.074776	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+2H"	2.014552
"1042040"	170.029776	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2H"	2.014552
"211039"	226.370609333333	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+3H"	3.021828
"654973"	339.052276	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+3H"	3.021828
"1167632"	113.688942666667	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+3H"	3.021828
"433091"	694.123823	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+NH4"	18.033823
"792991"	1032.168823	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+NH4"	18.033823
"1690414"	356.078823	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+NH4"	18.033823
"338691"	347.5655495	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+H+NH4"	19.041099
"723458"	516.5880495	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+H+NH4"	19.041099
"1477353"	178.5430495	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H+NH4"	19.041099
"393240"	699.079218	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+Na"	22.989218
"755128"	1037.124218	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+Na"	22.989218
"1603264"	361.034218	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Na"	22.989218
"315205"	350.043247	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+H+Na"	23.996494
"707870"	519.065747	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+H+Na"	23.996494
"1461807"	181.020747	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H+Na"	23.996494
"1053963"	121.016256666667	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2H+Na"	25.00377
"1269393"	371.078486	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+CH3OH+H"	33.033486
"389061"	715.053158	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+K"	38.963158
"750790"	1053.098158	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+K"	38.963158
"1549925"	377.008158	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+K"	38.963158
"310382"	358.030217	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+H+K"	39.970434
"702807"	527.052717	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+H+K"	39.970434
"1458813"	189.007717	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H+K"	39.970434
"236069"	718.123826	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+ACN+H"	42.033826
"1211373"	380.078826	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+ACN+H"	42.033826
"1200360"	190.543051	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+ACN+2H"	43.041102
"197239"	721.06116	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+2Na-H"	44.97116
"629388"	1059.10616	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+2Na-H"	44.97116
"1132162"	383.01616	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2Na-H"	44.97116
"173056"	361.034218	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+2Na"	45.978436
"619517"	530.056718	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+2Na"	45.978436
"1124118"	192.011718	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2Na"	45.978436
"1404362"	128.343570666667	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H+2Na"	46.985712
"1437569"	385.057746	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H+HCOOH"	47.012746
"220577"	366.06724	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+3H2O+2H"	56.04448
"1508635"	399.10979	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+IsoProp+H"	61.06479
"411732"	369.021188	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+Na+K"	61.952376
"771633"	538.043688	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+Na+K"	61.952376
"1666869"	199.998688	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Na+K"	61.952376
"258859"	740.105768	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+ACN+Na"	64.015768
"1232662"	402.060768	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+ACN+Na"	64.015768
"1717174"	402.084293	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+NH4+HCOOH"	64.039293
"1182530"	135.670884666667	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+3Na"	68.967654
"1661173"	407.039688	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Na+HCOOH"	68.994688
"163660"	753.00904	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+2K-H"	76.91904
"606502"	1091.05404	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+2K-H"	76.91904
"1092106"	414.96404	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2K-H"	76.91904
"150014"	377.008158	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"2M+2K"	77.926316
"585202"	546.030658	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"3M+2K"	77.926316
"1072999"	207.985658	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2K"	77.926316
"1101834"	416.978592	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2K+H"	78.933592
"1341497"	417.066207	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+DMSO+H"	79.021207
"1006140"	421.105376	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2ACN+H"	83.060376
"1524307"	422.099008	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+IsoProp+Na+H"	84.054008
"1000076"	211.056326	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+2ACN+2H"	84.067652
"1594579"	423.013628	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+K+HCOOH"	84.968628
"1428998"	453.045138	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+H+CF3COOH"	115.000138
"1161474"	231.569601	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+3ACN+2H"	125.094202
"1711390"	470.071685	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+NH4+CF3COOH"	132.026685
"1644482"	475.02708	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+Na+CF3COOH"	136.98208
"1579039"	491.00102	"C11701"	"UK-47265"	"C13H12Cl2N6O"	"338.045"	"M+K+CF3COOH"	152.95602
"812685"	329.952	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M"	0
"976744"	310.93361	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-H2O-H"	-19.01839
"63566"	218.960724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M-3H"	-3.021828
"503282"	328.944724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M-3H"	-3.021828
"884170"	108.976724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-3H"	-3.021828
"921"	328.944724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M-2H"	-2.014552
"441211"	493.920724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M-2H"	-2.014552
"820106"	163.968724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-2H"	-2.014552
"80098"	658.896724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M-H"	-1.007276
"519041"	988.848724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M-H"	-1.007276
"910846"	328.944724	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-H"	-1.007276
"62464"	675.923271	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M-2H+NH4"	16.019271
"502597"	1005.875271	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M-2H+NH4"	16.019271
"879670"	345.971271	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-2H+NH4"	16.019271
"45866"	680.878666	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M-2H+Na"	20.974666
"485908"	1010.830666	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M-2H+Na"	20.974666
"863839"	350.926666	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-2H+Na"	20.974666
"1632761"	350.926666	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Na-2H"	20.974666
"109489"	346.933063	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M-H+Cl"	33.962126
"549497"	511.909063	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M-H+Cl"	33.962126
"942243"	181.957063	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-H+Cl"	33.962126
"281283"	694.873402	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+Cl"	34.969402
"672243"	1024.825402	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+Cl"	34.969402
"1282457"	364.921402	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Cl"	34.969402
"28292"	696.852606	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M-2H+K"	36.948606
"464571"	1026.804606	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M-2H+K"	36.948606
"843102"	366.900606	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-2H+K"	36.948606
"1557480"	366.900606	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+K-2H"	36.948606
"947192"	374.950194	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-H+HCOOH"	44.998194
"365405"	704.902201	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+HCOOH-H"	44.998201
"347463"	718.917851	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+Hac-H"	59.013851
"1495932"	388.965851	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Hac-H"	59.013851
"962744"	396.932151	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-H+NaCOOH"	66.980151
"115662"	364.921402	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+2Cl"	69.938804
"563251"	529.897402	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+2Cl"	69.938804
"1030592"	199.945402	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2Cl"	69.938804
"1253452"	408.870885	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Br"	78.918885
"1312618"	410.926872	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Cl+HCOOH"	80.974872
"1327927"	432.908829	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Cl+NaCOOH"	102.956829
"916801"	442.937586	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M-H+CF3COOH"	112.985586
"1291321"	478.914264	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Cl+CF3COOH"	148.962264
"1371671"	294.939324	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H-2H2O"	-35.012676
"1388072"	312.9493	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H-H2O"	-17.0027
"291038"	660.911276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+H"	1.007276
"682370"	990.863276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+H"	1.007276
"1363092"	330.959276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H"	1.007276
"131607"	330.959276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+2H"	2.014552
"570072"	495.935276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+2H"	2.014552
"1043243"	165.983276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2H"	2.014552
"206409"	220.975276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+3H"	3.021828
"651804"	330.959276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+3H"	3.021828
"1167015"	110.991276	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+3H"	3.021828
"426275"	677.937823	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+NH4"	18.033823
"789093"	1007.889823	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+NH4"	18.033823
"1688339"	347.985823	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+NH4"	18.033823
"336617"	339.4725495	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+H+NH4"	19.041099
"727943"	504.4485495	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+H+NH4"	19.041099
"1479576"	174.4965495	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H+NH4"	19.041099
"394976"	682.893218	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+Na"	22.989218
"760344"	1012.845218	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+Na"	22.989218
"1609534"	352.941218	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Na"	22.989218
"315198"	341.950247	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+H+Na"	23.996494
"708227"	506.926247	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+H+Na"	23.996494
"1462531"	176.974247	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H+Na"	23.996494
"1054683"	118.31859	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2H+Na"	25.00377
"1264036"	362.985486	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+CH3OH+H"	33.033486
"389172"	698.867158	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+K"	38.963158
"751998"	1028.819158	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+K"	38.963158
"1552592"	368.915158	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+K"	38.963158
"309400"	349.937217	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+H+K"	39.970434
"705469"	514.913217	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+H+K"	39.970434
"1457830"	184.961217	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H+K"	39.970434
"240967"	701.937826	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+ACN+H"	42.033826
"1212944"	371.985826	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+ACN+H"	42.033826
"1195002"	186.496551	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+ACN+2H"	43.041102
"191518"	704.87516	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+2Na-H"	44.97116
"628929"	1034.82716	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+2Na-H"	44.97116
"1132029"	374.92316	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2Na-H"	44.97116
"178243"	352.941218	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+2Na"	45.978436
"622910"	517.917218	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+2Na"	45.978436
"1130188"	187.965218	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2Na"	45.978436
"1409940"	125.645904	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H+2Na"	46.985712
"1438775"	376.964746	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H+HCOOH"	47.012746
"227376"	357.97424	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+3H2O+2H"	56.04448
"1510697"	391.01679	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+IsoProp+H"	61.06479
"418407"	360.928188	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+Na+K"	61.952376
"773204"	525.904188	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+Na+K"	61.952376
"1670262"	195.952188	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Na+K"	61.952376
"261156"	723.919768	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+ACN+Na"	64.015768
"1234600"	393.967768	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+ACN+Na"	64.015768
"1720567"	393.991293	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+NH4+HCOOH"	64.039293
"1188112"	132.973218	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+3Na"	68.967654
"1660924"	398.946688	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Na+HCOOH"	68.994688
"167419"	736.82304	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+2K-H"	76.91904
"607345"	1066.77504	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+2K-H"	76.91904
"1092219"	406.87104	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2K-H"	76.91904
"146118"	368.915158	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"2M+2K"	77.926316
"583125"	533.891158	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"3M+2K"	77.926316
"1072018"	203.939158	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2K"	77.926316
"1100280"	408.885592	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2K+H"	78.933592
"1336134"	408.973207	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+DMSO+H"	79.021207
"1005883"	413.012376	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2ACN+H"	83.060376
"1528268"	414.006008	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+IsoProp+Na+H"	84.054008
"990093"	207.009826	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+2ACN+2H"	84.067652
"1592502"	414.920628	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+K+HCOOH"	84.968628
"1429106"	444.952138	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+H+CF3COOH"	115.000138
"1160854"	227.523101	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+3ACN+2H"	125.094202
"1711497"	461.978685	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+NH4+CF3COOH"	132.026685
"1647873"	466.93408	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+Na+CF3COOH"	136.98208
"1579149"	482.90802	"C11702"	"Tienilic acid;Ticrynafen"	"C13H8Cl2O4S"	"329.952"	"M+K+CF3COOH"	152.95602
"811702"	211.1208	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M"	0
"979769"	192.10241	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-H2O-H"	-19.01839
"69103"	139.739924	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M-3H"	-3.021828
"507570"	210.113524	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M-3H"	-3.021828
"880265"	69.366324	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-3H"	-3.021828
"2851"	210.113524	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H"	-2.014552
"440098"	315.673924	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H"	-2.014552
"817781"	104.553124	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-2H"	-2.014552
"82392"	421.234324	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M-H"	-1.007276
"518668"	632.355124	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M-H"	-1.007276
"895779"	210.113524	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-H"	-1.007276
"48669"	438.260871	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+NH4"	16.019271
"487289"	649.381671	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+NH4"	16.019271
"874418"	227.140071	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-2H+NH4"	16.019271
"46537"	443.216266	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+Na"	20.974666
"482245"	654.337066	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+Na"	20.974666
"852391"	232.095466	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-2H+Na"	20.974666
"1633237"	232.095466	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Na-2H"	20.974666
"109478"	228.101863	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M-H+Cl"	33.962126
"547860"	333.662263	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M-H+Cl"	33.962126
"942110"	122.541463	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-H+Cl"	33.962126
"281760"	457.211002	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+Cl"	34.969402
"673446"	668.331802	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+Cl"	34.969402
"1282568"	246.090202	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl"	34.969402
"23664"	459.190206	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M-2H+K"	36.948606
"465411"	670.311006	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M-2H+K"	36.948606
"845400"	248.069406	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-2H+K"	36.948606
"1557956"	248.069406	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+K-2H"	36.948606
"949488"	256.118994	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-H+HCOOH"	44.998194
"362598"	467.239801	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+HCOOH-H"	44.998201
"346966"	481.255451	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+Hac-H"	59.013851
"1497135"	270.134651	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Hac-H"	59.013851
"963583"	278.100951	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-H+NaCOOH"	66.980151
"116864"	246.090202	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+2Cl"	69.938804
"552058"	351.650602	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+2Cl"	69.938804
"1030702"	140.529802	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2Cl"	69.938804
"1254654"	290.039685	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Br"	78.918885
"1310540"	292.095672	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+HCOOH"	80.974872
"1326944"	314.077629	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+NaCOOH"	102.956829
"916910"	324.106386	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M-H+CF3COOH"	112.985586
"1292524"	360.083064	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Cl+CF3COOH"	148.962264
"1367771"	176.108124	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H-2H2O"	-35.012676
"1384902"	194.1181	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H-H2O"	-17.0027
"287867"	423.248876	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+H"	1.007276
"681386"	634.369676	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+H"	1.007276
"1359922"	212.128076	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H"	1.007276
"132810"	212.128076	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+2H"	2.014552
"567994"	317.688476	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+2H"	2.014552
"1042260"	106.567676	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2H"	2.014552
"205424"	141.754476	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+3H"	3.021828
"651914"	212.128076	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+3H"	3.021828
"1171134"	71.380876	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+3H"	3.021828
"428208"	440.275423	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+NH4"	18.033823
"793213"	651.396223	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+NH4"	18.033823
"1688449"	229.154623	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+NH4"	18.033823
"334540"	220.6413495	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+H+NH4"	19.041099
"726960"	326.2017495	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+H+NH4"	19.041099
"1479686"	115.0809495	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H+NH4"	19.041099
"393991"	445.230818	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+Na"	22.989218
"760454"	656.351618	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+Na"	22.989218
"1610737"	234.110018	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Na"	22.989218
"315313"	223.119047	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+H+Na"	23.996494
"708701"	328.679447	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+H+Na"	23.996494
"1463734"	117.558647	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H+Na"	23.996494
"1054064"	78.70819	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2H+Na"	25.00377
"1264146"	244.154286	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+CH3OH+H"	33.033486
"384907"	461.204758	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+K"	38.963158
"751012"	672.325558	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+K"	38.963158
"1551240"	250.083958	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+K"	38.963158
"309507"	231.106017	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+H+K"	39.970434
"704483"	336.666417	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+H+K"	39.970434
"1458305"	125.545617	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H+K"	39.970434
"242170"	464.275426	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+ACN+H"	42.033826
"1211595"	253.154626	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+H"	42.033826
"1195477"	127.080951	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+2H"	43.041102
"189806"	467.21276	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+2Na-H"	44.97116
"632647"	678.33356	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+2Na-H"	44.97116
"1132017"	256.09196	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2Na-H"	44.97116
"181270"	234.110018	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+2Na"	45.978436
"624113"	339.670418	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+2Na"	45.978436
"1129686"	128.549618	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2Na"	45.978436
"1410050"	86.035504	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H+2Na"	46.985712
"1438885"	258.133546	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H+HCOOH"	47.012746
"226392"	239.14304	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+3H2O+2H"	56.04448
"1512266"	272.18559	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+H"	61.06479
"410858"	242.096988	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+Na+K"	61.952376
"774040"	347.657388	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+Na+K"	61.952376
"1671466"	136.536588	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Na+K"	61.952376
"259079"	486.257368	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+ACN+Na"	64.015768
"1238719"	275.136568	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+ACN+Na"	64.015768
"1718490"	275.160093	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+NH4+HCOOH"	64.039293
"1189315"	93.362818	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+3Na"	68.967654
"1661763"	280.115488	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Na+HCOOH"	68.994688
"168622"	499.16064	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+2K-H"	76.91904
"606360"	710.28144	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+2K-H"	76.91904
"1092693"	288.03984	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2K-H"	76.91904
"148050"	250.083958	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"2M+2K"	77.926316
"584329"	355.644358	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"3M+2K"	77.926316
"1072128"	144.523558	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2K"	77.926316
"1100148"	290.054392	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2K+H"	78.933592
"1335649"	290.142007	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+DMSO+H"	79.021207
"1005656"	294.181176	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2ACN+H"	83.060376
"1530568"	295.174808	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+IsoProp+Na+H"	84.054008
"997016"	147.594226	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+2ACN+2H"	84.067652
"1591519"	296.089428	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+K+HCOOH"	84.968628
"1425935"	326.120938	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+H+CF3COOH"	115.000138
"1160963"	168.107501	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+3ACN+2H"	125.094202
"1710878"	343.147485	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+NH4+CF3COOH"	132.026685
"1647983"	348.10288	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+Na+CF3COOH"	136.98208
"1585821"	364.07682	"C11703"	"L-Isoprenaline;Levisoprenaline"	"C11H17NO3"	"211.1208"	"M+K+CF3COOH"	152.95602
"812905"	409.9446	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M"	0
"979877"	390.92621	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-H2O-H"	-19.01839
"70307"	272.289124	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M-3H"	-3.021828
"507680"	408.937324	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M-3H"	-3.021828
"881469"	135.640924	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-3H"	-3.021828
"2961"	408.937324	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M-2H"	-2.014552
"441180"	613.909624	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M-2H"	-2.014552
"817771"	203.965024	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-2H"	-2.014552
"82502"	818.881924	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M-H"	-1.007276
"520968"	1228.826524	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M-H"	-1.007276
"896706"	408.937324	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-H"	-1.007276
"50968"	835.908471	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M-2H+NH4"	16.019271
"490529"	1245.853071	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M-2H+NH4"	16.019271
"874528"	425.963871	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-2H+NH4"	16.019271
"46443"	840.863866	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M-2H+Na"	20.974666
"481262"	1250.808466	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M-2H+Na"	20.974666
"854688"	430.919266	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-2H+Na"	20.974666
"1628593"	430.919266	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Na-2H"	20.974666
"109589"	426.925663	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M-H+Cl"	33.962126
"545783"	631.897963	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M-H+Cl"	33.962126
"940393"	221.953363	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-H+Cl"	33.962126
"280042"	854.858602	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+Cl"	34.969402
"671370"	1264.803202	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+Cl"	34.969402
"1281585"	444.914002	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Cl"	34.969402
"24867"	856.837806	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M-2H+K"	36.948606
"466614"	1266.782406	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M-2H+K"	36.948606
"839314"	446.893206	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-2H+K"	36.948606
"1557093"	446.893206	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+K-2H"	36.948606
"946319"	454.942794	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-H+HCOOH"	44.998194
"362464"	864.887401	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+HCOOH-H"	44.998201
"347681"	878.903051	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+Hac-H"	59.013851
"1497244"	468.958451	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Hac-H"	59.013851
"965880"	476.924751	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-H+NaCOOH"	66.980151
"115880"	444.914002	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+2Cl"	69.938804
"551196"	649.886302	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+2Cl"	69.938804
"1030812"	239.941702	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2Cl"	69.938804
"1246016"	488.863485	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Br"	78.918885
"1309557"	490.919472	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Cl+HCOOH"	80.974872
"1322678"	512.901429	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Cl+NaCOOH"	102.956829
"913739"	522.930186	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M-H+CF3COOH"	112.985586
"1290447"	558.906864	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Cl+CF3COOH"	148.962264
"1369704"	374.931924	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H-2H2O"	-35.012676
"1387199"	392.9419	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H-H2O"	-17.0027
"290165"	820.896476	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+H"	1.007276
"680402"	1230.841076	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+H"	1.007276
"1358938"	410.951876	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H"	1.007276
"131827"	410.951876	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+2H"	2.014552
"569199"	615.924176	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+2H"	2.014552
"1046744"	205.979576	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2H"	2.014552
"214645"	274.303676	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+3H"	3.021828
"648742"	410.951876	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+3H"	3.021828
"1163954"	137.655476	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+3H"	3.021828
"426861"	837.923023	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+NH4"	18.033823
"790041"	1247.867623	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+NH4"	18.033823
"1690744"	427.978423	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+NH4"	18.033823
"341208"	419.4651495	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+H+NH4"	19.041099
"735452"	624.4374495	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+H+NH4"	19.041099
"1479796"	214.4928495	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H+NH4"	19.041099
"399569"	842.878418	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+Na"	22.989218
"763844"	1252.823018	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+Na"	22.989218
"1613034"	432.933818	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Na"	22.989218
"316515"	421.942847	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+H+Na"	23.996494
"709300"	626.915147	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+H+Na"	23.996494
"1464940"	216.970547	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H+Na"	23.996494
"1058186"	144.98279	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2H+Na"	25.00377
"1265350"	442.978086	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+CH3OH+H"	33.033486
"383923"	858.852358	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+K"	38.963158
"751852"	1268.796958	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+K"	38.963158
"1552443"	448.907758	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+K"	38.963158
"309617"	429.929817	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+H+K"	39.970434
"705322"	634.902117	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+H+K"	39.970434
"1458779"	224.957517	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H+K"	39.970434
"243373"	861.923026	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+ACN+H"	42.033826
"1213526"	451.978426	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+ACN+H"	42.033826
"1196681"	226.492851	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+ACN+2H"	43.041102
"192469"	864.86036	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+2Na-H"	44.97116
"630570"	1274.80496	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+2Na-H"	44.97116
"1133710"	454.91576	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2Na-H"	44.97116
"181380"	432.933818	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+2Na"	45.978436
"623130"	637.906118	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+2Na"	45.978436
"1130409"	227.961518	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2Na"	45.978436
"1410160"	152.310104	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H+2Na"	46.985712
"1438995"	456.957346	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H+HCOOH"	47.012746
"226502"	437.96684	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+3H2O+2H"	56.04448
"1513469"	471.00939	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+IsoProp+H"	61.06479
"412061"	440.920788	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+Na+K"	61.952376
"774150"	645.893088	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+Na+K"	61.952376
"1672669"	235.948488	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Na+K"	61.952376
"263569"	883.904968	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+ACN+Na"	64.015768
"1239193"	473.960368	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+ACN+Na"	64.015768
"1718600"	473.983893	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+NH4+HCOOH"	64.039293
"1187239"	159.637418	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+3Na"	68.967654
"1662238"	478.939288	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Na+HCOOH"	68.994688
"168371"	896.80824	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+2K-H"	76.91904
"604648"	1306.75284	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+2K-H"	76.91904
"1092439"	486.86364	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2K-H"	76.91904
"144880"	448.907758	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"2M+2K"	77.926316
"587723"	653.880058	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"3M+2K"	77.926316
"1069687"	243.935458	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2K"	77.926316
"1101804"	488.878192	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2K+H"	78.933592
"1336121"	488.965807	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+DMSO+H"	79.021207
"1006217"	493.004976	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2ACN+H"	83.060376
"1530679"	493.998608	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+IsoProp+Na+H"	84.054008
"993846"	247.006126	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+2ACN+2H"	84.067652
"1591629"	494.913228	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+K+HCOOH"	84.968628
"1427138"	524.944738	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+H+CF3COOH"	115.000138
"1159616"	267.519401	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+3ACN+2H"	125.094202
"1710987"	541.971285	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+NH4+CF3COOH"	132.026685
"1648093"	546.92668	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+Na+CF3COOH"	136.98208
"1585931"	562.90062	"C11704"	"DuP 697"	"C17H12BrFO2S2"	"409.9446"	"M+K+CF3COOH"	152.95602
"809735"	384.0556	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M"	0
"981080"	365.03721	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-H2O-H"	-19.01839
"63970"	255.029790666667	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M-3H"	-3.021828
"508883"	383.048324	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M-3H"	-3.021828
"882671"	127.011257333333	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-3H"	-3.021828
"2341"	383.048324	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M-2H"	-2.014552
"442626"	575.076124	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M-2H"	-2.014552
"821527"	191.020524	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-2H"	-2.014552
"81151"	767.103924	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M-H"	-1.007276
"523264"	1151.159524	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M-H"	-1.007276
"897914"	383.048324	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-H"	-1.007276
"47909"	784.130471	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M-2H+NH4"	16.019271
"492825"	1168.186071	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M-2H+NH4"	16.019271
"874638"	400.074871	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-2H+NH4"	16.019271
"45701"	789.085866	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M-2H+Na"	20.974666
"482465"	1173.141466	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M-2H+Na"	20.974666
"858078"	405.030266	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-2H+Na"	20.974666
"1628339"	405.030266	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M+Na-2H"	20.974666
"107426"	401.036663	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M-H+Cl"	33.962126
"545893"	593.064463	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M-H+Cl"	33.962126
"942408"	209.008863	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-H+Cl"	33.962126
"280152"	803.080602	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M+Cl"	34.969402
"671481"	1187.136202	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M+Cl"	34.969402
"1280602"	419.025002	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M+Cl"	34.969402
"22063"	805.059806	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"2M-2H+K"	36.948606
"465995"	1189.115406	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"3M-2H+K"	36.948606
"838329"	421.004206	"C11705"	"SC-58125"	"C17H12F4N2O2S"	"384.0556"	"M-2H+K"	36.948606
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"648233"	317.100576	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+3H"	3.021828
"1164900"	106.371709333333	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+3H"	3.021828
"427079"	650.220423	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+NH4"	18.033823
"788439"	966.313723	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+NH4"	18.033823
"1685497"	334.127123	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+NH4"	18.033823
"341428"	325.6138495	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+H+NH4"	19.041099
"733848"	483.6604995	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+H+NH4"	19.041099
"1484389"	167.5671995	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+H+NH4"	19.041099
"398695"	655.175818	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+Na"	22.989218
"760783"	971.269118	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+Na"	22.989218
"1611067"	339.082518	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+Na"	22.989218
"315274"	328.091547	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+H+Na"	23.996494
"707817"	486.138197	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+H+Na"	23.996494
"1462246"	170.044897	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+H+Na"	23.996494
"1054397"	113.699023333333	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2H+Na"	25.00377
"1263384"	349.126786	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+CH3OH+H"	33.033486
"385238"	671.149758	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+K"	38.963158
"753369"	987.243058	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+K"	38.963158
"1549382"	355.056458	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+K"	38.963158
"307652"	336.078517	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+H+K"	39.970434
"702262"	494.125167	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+H+K"	39.970434
"1460457"	178.031867	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+H+K"	39.970434
"238124"	674.220426	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+ACN+H"	42.033826
"1213383"	358.127126	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+ACN+H"	42.033826
"1197629"	179.567201	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+ACN+2H"	43.041102
"190865"	677.15776	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+2Na-H"	44.97116
"630060"	993.25106	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+2Na-H"	44.97116
"1132348"	361.06446	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2Na-H"	44.97116
"181600"	339.082518	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+2Na"	45.978436
"624443"	497.129168	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+2Na"	45.978436
"1131238"	181.035868	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2Na"	45.978436
"1410380"	121.026337333333	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+H+2Na"	46.985712
"1439215"	363.106046	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+H+HCOOH"	47.012746
"226722"	344.11554	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+3H2O+2H"	56.04448
"1513689"	377.15809	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+IsoProp+H"	61.06479
"413375"	347.069488	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+Na+K"	61.952376
"773277"	505.116138	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+Na+K"	61.952376
"1671796"	189.022838	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+Na+K"	61.952376
"263785"	696.202368	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+ACN+Na"	64.015768
"1236497"	380.109068	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+ACN+Na"	64.015768
"1719913"	380.132593	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+NH4+HCOOH"	64.039293
"1189645"	128.353651333333	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+3Na"	68.967654
"1662094"	385.087988	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+Na+HCOOH"	68.994688
"170049"	709.10564	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+2K-H"	76.91904
"604868"	1025.19894	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+2K-H"	76.91904
"1093753"	393.01234	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2K-H"	76.91904
"146193"	355.056458	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"2M+2K"	77.926316
"590129"	513.103108	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"3M+2K"	77.926316
"1069906"	197.009808	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2K"	77.926316
"1101538"	395.026892	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2K+H"	78.933592
"1336703"	395.114507	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+DMSO+H"	79.021207
"1005958"	399.153676	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2ACN+H"	83.060376
"1530899"	400.147308	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+IsoProp+Na+H"	84.054008
"994066"	200.080476	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+2ACN+2H"	84.067652
"1591849"	401.061928	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+K+HCOOH"	84.968628
"1428089"	431.093438	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+H+CF3COOH"	115.000138
"1162265"	220.593751	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+3ACN+2H"	125.094202
"1710479"	448.119985	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+NH4+CF3COOH"	132.026685
"1648313"	453.07538	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+Na+CF3COOH"	136.98208
"1586151"	469.04932	"C11706"	"SC-57666"	"C18H17FO2S"	"316.0933"	"M+K+CF3COOH"	152.95602
"809955"	229.1467	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M"	0
"981300"	210.12831	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-H2O-H"	-19.01839
"66260"	151.757190666667	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M-3H"	-3.021828
"509103"	228.139424	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M-3H"	-3.021828
"883622"	75.3749573333333	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-3H"	-3.021828
"3290"	228.139424	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M-2H"	-2.014552
"442850"	342.712774	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M-2H"	-2.014552
"817737"	113.566074	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-2H"	-2.014552
"79183"	457.286124	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M-H"	-1.007276
"520205"	686.432824	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M-H"	-1.007276
"896921"	228.139424	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-H"	-1.007276
"47643"	474.312671	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M-2H+NH4"	16.019271
"491952"	703.459371	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M-2H+NH4"	16.019271
"868662"	245.165971	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-2H+NH4"	16.019271
"34372"	479.268066	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M-2H+Na"	20.974666
"482685"	708.414766	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M-2H+Na"	20.974666
"855018"	250.121366	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-2H+Na"	20.974666
"1622362"	250.121366	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Na-2H"	20.974666
"103271"	246.127763	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M-H+Cl"	33.962126
"542831"	360.701113	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M-H+Cl"	33.962126
"939629"	131.554413	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-H+Cl"	33.962126
"277090"	493.262802	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+Cl"	34.969402
"673644"	722.409502	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+Cl"	34.969402
"1285195"	264.116102	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Cl"	34.969402
"20096"	495.242006	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M-2H+K"	36.948606
"461838"	724.388706	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M-2H+K"	36.948606
"838910"	266.095306	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-2H+K"	36.948606
"1557300"	266.095306	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+K-2H"	36.948606
"949929"	274.144894	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-H+HCOOH"	44.998194
"361594"	503.291601	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+HCOOH-H"	44.998201
"346557"	517.307251	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+Hac-H"	59.013851
"1494659"	288.160551	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Hac-H"	59.013851
"964023"	296.126851	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-H+NaCOOH"	66.980151
"112202"	264.116102	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+2Cl"	69.938804
"551405"	378.689452	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+2Cl"	69.938804
"1031143"	149.542752	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2Cl"	69.938804
"1245253"	308.065585	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Br"	78.918885
"1306606"	310.121572	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Cl+HCOOH"	80.974872
"1321914"	332.103529	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Cl+NaCOOH"	102.956829
"914433"	342.132286	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M-H+CF3COOH"	112.985586
"1291141"	378.108964	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Cl+CF3COOH"	148.962264
"1367236"	194.134024	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H-2H2O"	-35.012676
"1383639"	212.144	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H-H2O"	-17.0027
"285029"	459.300676	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+H"	1.007276
"679639"	688.447376	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+H"	1.007276
"1360362"	230.153976	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H"	1.007276
"131063"	230.153976	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+2H"	2.014552
"568070"	344.727326	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+2H"	2.014552
"1043793"	115.580626	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2H"	2.014552
"213882"	153.771742666667	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+3H"	3.021828
"649072"	230.153976	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+3H"	3.021828
"1165011"	77.3895093333333	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+3H"	3.021828
"425123"	476.327223	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+NH4"	18.033823
"789278"	705.473923	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+NH4"	18.033823
"1686700"	247.180523	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+NH4"	18.033823
"341538"	238.6672495	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+H+NH4"	19.041099
"733958"	353.2405995	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+H+NH4"	19.041099
"1486686"	124.0938995	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H+NH4"	19.041099
"399898"	481.282618	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+Na"	22.989218
"760893"	710.429318	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+Na"	22.989218
"1611177"	252.135918	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Na"	22.989218
"315141"	241.144947	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+H+Na"	23.996494
"709627"	355.718297	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+H+Na"	23.996494
"1463084"	126.571597	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H+Na"	23.996494
"1054508"	84.7168233333333	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2H+Na"	25.00377
"1266774"	262.180186	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+CH3OH+H"	33.033486
"385348"	497.256558	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+K"	38.963158
"752912"	726.403258	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+K"	38.963158
"1550586"	268.109858	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+K"	38.963158
"307762"	249.131917	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+H+K"	39.970434
"702371"	363.705267	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+H+K"	39.970434
"1456191"	134.558567	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H+K"	39.970434
"239327"	500.327226	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+ACN+H"	42.033826
"1213128"	271.180526	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+ACN+H"	42.033826
"1194536"	136.093901	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+ACN+2H"	43.041102
"190246"	503.26456	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+2Na-H"	44.97116
"631630"	732.41126	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+2Na-H"	44.97116
"1141695"	274.11786	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2Na-H"	44.97116
"180617"	252.135918	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+2Na"	45.978436
"623460"	366.709268	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+2Na"	45.978436
"1124777"	137.562568	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2Na"	45.978436
"1410490"	92.0441373333333	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H+2Na"	46.985712
"1437138"	276.159446	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H+HCOOH"	47.012746
"226831"	257.16894	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+3H2O+2H"	56.04448
"1512705"	290.21149	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+IsoProp+H"	61.06479
"411298"	260.122888	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+Na+K"	61.952376
"770469"	374.696238	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+Na+K"	61.952376
"1669719"	145.549538	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Na+K"	61.952376
"262802"	522.309168	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+ACN+Na"	64.015768
"1236607"	293.162468	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+ACN+Na"	64.015768
"1720023"	293.185993	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+NH4+HCOOH"	64.039293
"1188662"	99.3714513333333	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+3Na"	68.967654
"1662204"	298.141388	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Na+HCOOH"	68.994688
"168700"	535.21244	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+2K-H"	76.91904
"606071"	764.35914	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+2K-H"	76.91904
"1093863"	306.06574	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2K-H"	76.91904
"146303"	268.109858	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"2M+2K"	77.926316
"590239"	382.683208	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"3M+2K"	77.926316
"1070382"	153.536508	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2K"	77.926316
"1102499"	308.080292	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2K+H"	78.933592
"1338879"	308.167907	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+DMSO+H"	79.021207
"1005947"	312.207076	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2ACN+H"	83.060376
"1524258"	313.200708	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+IsoProp+Na+H"	84.054008
"990891"	156.607176	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+2ACN+2H"	84.067652
"1587091"	314.115328	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+K+HCOOH"	84.968628
"1428928"	344.146838	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+H+CF3COOH"	115.000138
"1162375"	177.120451	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+3ACN+2H"	125.094202
"1710590"	361.173385	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+NH4+CF3COOH"	132.026685
"1648423"	366.12878	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+Na+CF3COOH"	136.98208
"1586261"	382.10272	"C11707"	"Pronethalol;Pronetalol"	"C15H19NO"	"229.1467"	"M+K+CF3COOH"	152.95602
"813345"	354.1613	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M"	0
"983597"	335.14291	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-H2O-H"	-19.01839
"69650"	235.100257333333	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M-3H"	-3.021828
"511400"	353.154024	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M-3H"	-3.021828
"889200"	117.046490666667	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-3H"	-3.021828
"6681"	353.154024	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M-2H"	-2.014552
"446240"	530.234674	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M-2H"	-2.014552
"822951"	176.073374	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-2H"	-2.014552
"80755"	707.315324	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M-H"	-1.007276
"520436"	1061.476624	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M-H"	-1.007276
"902498"	353.154024	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-H"	-1.007276
"47512"	724.341871	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M-2H+NH4"	16.019271
"497894"	1078.503171	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M-2H+NH4"	16.019271
"874967"	370.180571	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-2H+NH4"	16.019271
"41772"	729.297266	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M-2H+Na"	20.974666
"486322"	1083.458566	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M-2H+Na"	20.974666
"858043"	375.135966	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-2H+Na"	20.974666
"1627939"	375.135966	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Na-2H"	20.974666
"107392"	371.142363	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M-H+Cl"	33.962126
"544035"	548.223013	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M-H+Cl"	33.962126
"939739"	194.061713	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-H+Cl"	33.962126
"277200"	743.292002	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+Cl"	34.969402
"671809"	1097.453302	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+Cl"	34.969402
"1284212"	389.130702	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Cl"	34.969402
"21297"	745.271206	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M-2H+K"	36.948606
"464497"	1099.432506	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M-2H+K"	36.948606
"837929"	391.109906	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-2H+K"	36.948606
"1557412"	391.109906	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+K-2H"	36.948606
"947853"	399.159494	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-H+HCOOH"	44.998194
"366064"	753.320801	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+HCOOH-H"	44.998201
"348854"	767.336451	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+Hac-H"	59.013851
"1496588"	413.175151	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Hac-H"	59.013851
"961581"	421.141451	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-H+NaCOOH"	66.980151
"115228"	389.130702	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+2Cl"	69.938804
"551149"	566.211352	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+2Cl"	69.938804
"1031253"	212.050052	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2Cl"	69.938804
"1245363"	433.080185	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Br"	78.918885
"1307810"	435.136172	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Cl+HCOOH"	80.974872
"1323482"	457.118129	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Cl+NaCOOH"	102.956829
"916363"	467.146886	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M-H+CF3COOH"	112.985586
"1292343"	503.123564	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Cl+CF3COOH"	148.962264
"1370137"	319.148624	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H-2H2O"	-35.012676
"1387637"	337.1586	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H-H2O"	-17.0027
"285133"	709.329876	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+H"	1.007276
"679749"	1063.491176	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+H"	1.007276
"1363751"	355.168576	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H"	1.007276
"133359"	355.168576	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+2H"	2.014552
"570732"	532.249226	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+2H"	2.014552
"1043903"	178.087926	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2H"	2.014552
"212898"	237.114809333333	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+3H"	3.021828
"647358"	355.168576	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+3H"	3.021828
"1164757"	119.061042666667	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+3H"	3.021828
"425839"	726.356423	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+NH4"	18.033823
"790481"	1080.517723	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+NH4"	18.033823
"1688997"	372.195123	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+NH4"	18.033823
"338368"	363.6818495	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+H+NH4"	19.041099
"730788"	540.7624995	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+H+NH4"	19.041099
"1485703"	186.6011995	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H+NH4"	19.041099
"402195"	731.311818	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+Na"	22.989218
"762096"	1085.473118	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+Na"	22.989218
"1612380"	377.150518	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Na"	22.989218
"316954"	366.159547	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+H+Na"	23.996494
"711561"	543.240197	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+H+Na"	23.996494
"1464652"	189.078897	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H+Na"	23.996494
"1057898"	126.388356666667	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2H+Na"	25.00377
"1262507"	387.194786	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+CH3OH+H"	33.033486
"388736"	747.285758	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+K"	38.963158
"751561"	1101.447058	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+K"	38.963158
"1549603"	393.124458	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+K"	38.963158
"312611"	374.146517	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+H+K"	39.970434
"703575"	551.227167	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+H+K"	39.970434
"1459950"	197.065867	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H+K"	39.970434
"240530"	750.356426	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+ACN+H"	42.033826
"1214331"	396.195126	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+ACN+H"	42.033826
"1198579"	198.601201	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+ACN+2H"	43.041102
"194367"	753.29376	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+2Na-H"	44.97116
"633198"	1107.45506	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+2Na-H"	44.97116
"1139618"	399.13246	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2Na-H"	44.97116
"179634"	377.150518	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+2Na"	45.978436
"618101"	554.231168	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+2Na"	45.978436
"1120512"	200.069868	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2Na"	45.978436
"1410600"	133.715670666667	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H+2Na"	46.985712
"1438341"	401.174046	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H+HCOOH"	47.012746
"228034"	382.18354	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+3H2O+2H"	56.04448
"1515003"	415.22609	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+IsoProp+H"	61.06479
"411408"	385.137488	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+Na+K"	61.952376
"771065"	562.218138	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+Na+K"	61.952376
"1675296"	208.056838	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Na+K"	61.952376
"261819"	772.338368	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+ACN+Na"	64.015768
"1234896"	418.177068	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+ACN+Na"	64.015768
"1719039"	418.200593	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+NH4+HCOOH"	64.039293
"1185493"	141.042984666667	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+3Na"	68.967654
"1662316"	423.155988	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Na+HCOOH"	68.994688
"168449"	785.24164	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+2K-H"	76.91904
"605820"	1139.40294	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+2K-H"	76.91904
"1091788"	431.08034	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2K-H"	76.91904
"144227"	393.124458	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"2M+2K"	77.926316
"590714"	570.205108	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"3M+2K"	77.926316
"1072679"	216.043808	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2K"	77.926316
"1104794"	433.094892	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2K+H"	78.933592
"1338992"	433.182507	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+DMSO+H"	79.021207
"1015176"	437.221676	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2ACN+H"	83.060376
"1525279"	438.215308	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+IsoProp+Na+H"	84.054008
"993189"	219.114476	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+2ACN+2H"	84.067652
"1589878"	439.129928	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+K+HCOOH"	84.968628
"1428672"	469.161438	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+H+CF3COOH"	115.000138
"1160056"	239.627751	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+3ACN+2H"	125.094202
"1710700"	486.187985	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+NH4+CF3COOH"	132.026685
"1648533"	491.14338	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+Na+CF3COOH"	136.98208
"1586371"	507.11732	"C11708"	"Sultopride"	"C17H26N2O4S"	"354.1613"	"M+K+CF3COOH"	152.95602
"806895"	362.1664	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M"	0
"979333"	343.14801	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-H2O-H"	-19.01839
"66480"	240.436990666667	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M-3H"	-3.021828
"509323"	361.159124	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M-3H"	-3.021828
"882749"	119.714857333333	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-3H"	-3.021828
"2417"	361.159124	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M-2H"	-2.014552
"446351"	542.242324	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M-2H"	-2.014552
"824155"	180.075924	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-2H"	-2.014552
"83053"	723.325524	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M-H"	-1.007276
"526986"	1085.491924	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M-H"	-1.007276
"900420"	361.159124	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-H"	-1.007276
"48349"	740.352071	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M-2H+NH4"	16.019271
"498368"	1102.518471	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M-2H+NH4"	16.019271
"876170"	378.185671	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-2H+NH4"	16.019271
"41153"	745.307466	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M-2H+Na"	20.974666
"485703"	1107.473866	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M-2H+Na"	20.974666
"859610"	383.141066	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-2H+Na"	20.974666
"1626956"	383.141066	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Na-2H"	20.974666
"107503"	379.147463	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M-H+Cl"	33.962126
"546331"	560.230663	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M-H+Cl"	33.962126
"939849"	198.064263	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-H+Cl"	33.962126
"277310"	759.302202	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+Cl"	34.969402
"670826"	1121.468602	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+Cl"	34.969402
"1283958"	397.135802	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Cl"	34.969402
"21407"	761.281406	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M-2H+K"	36.948606
"465336"	1123.447806	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M-2H+K"	36.948606
"839131"	399.115006	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-2H+K"	36.948606
"1557889"	399.115006	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+K-2H"	36.948606
"945773"	407.164594	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-H+HCOOH"	44.998194
"361801"	769.331001	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+HCOOH-H"	44.998201
"347871"	783.346651	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+Hac-H"	59.013851
"1495240"	421.180251	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Hac-H"	59.013851
"962054"	429.146551	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-H+NaCOOH"	66.980151
"114245"	397.135802	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+2Cl"	69.938804
"550288"	578.219002	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+2Cl"	69.938804
"1029176"	216.052602	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2Cl"	69.938804
"1245473"	441.085285	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Br"	78.918885
"1304638"	443.141272	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Cl+HCOOH"	80.974872
"1321767"	465.123229	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Cl+NaCOOH"	102.956829
"916473"	475.151986	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M-H+CF3COOH"	112.985586
"1291723"	511.128664	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Cl+CF3COOH"	148.962264
"1370246"	327.153724	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H-2H2O"	-35.012676
"1385923"	345.1637	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H-H2O"	-17.0027
"288524"	725.340076	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+H"	1.007276
"678765"	1087.506476	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+H"	1.007276
"1356206"	363.173676	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H"	1.007276
"133469"	363.173676	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+2H"	2.014552
"570842"	544.256876	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+2H"	2.014552
"1044013"	182.090476	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2H"	2.014552
"213007"	242.451542666667	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+3H"	3.021828
"645763"	363.173676	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+3H"	3.021828
"1164864"	121.729409333333	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+3H"	3.021828
"425217"	742.366623	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+NH4"	18.033823
"788403"	1104.533023	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+NH4"	18.033823
"1688014"	380.200223	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+NH4"	18.033823
"334104"	371.6869495	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+H+NH4"	19.041099
"730899"	552.7701495	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+H+NH4"	19.041099
"1480709"	190.6037495	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H+NH4"	19.041099
"399025"	747.322018	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+Na"	22.989218
"760019"	1109.488418	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+Na"	22.989218
"1607023"	385.155618	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Na"	22.989218
"317063"	374.164647	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+H+Na"	23.996494
"709119"	555.247847	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+H+Na"	23.996494
"1463790"	193.081447	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H+Na"	23.996494
"1054361"	129.056723333333	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2H+Na"	25.00377
"1263710"	395.199886	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+CH3OH+H"	33.033486
"383379"	763.295958	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+K"	38.963158
"749847"	1125.462358	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+K"	38.963158
"1549713"	401.129558	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+K"	38.963158
"311993"	382.151617	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+H+K"	39.970434
"702957"	563.234817	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+H+K"	39.970434
"1459694"	201.068417	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H+K"	39.970434
"239547"	766.366626	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+ACN+H"	42.033826
"1212255"	404.200226	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+ACN+H"	42.033826
"1198324"	202.603751	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+ACN+2H"	43.041102
"194477"	769.30396	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+2Na-H"	44.97116
"634037"	1131.47036	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+2Na-H"	44.97116
"1139728"	407.13756	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2Na-H"	44.97116
"175004"	385.155618	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+2Na"	45.978436
"618211"	566.238818	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+2Na"	45.978436
"1120986"	204.072418	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2Na"	45.978436
"1411439"	136.384037333333	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H+2Na"	46.985712
"1438451"	409.179146	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H+HCOOH"	47.012746
"227051"	390.18864	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+3H2O+2H"	56.04448
"1516206"	423.23119	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+IsoProp+H"	61.06479
"410789"	393.142588	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+Na+K"	61.952376
"771418"	574.225788	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+Na+K"	61.952376
"1675406"	212.059388	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Na+K"	61.952376
"261565"	788.348568	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+ACN+Na"	64.015768
"1234278"	426.182168	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+ACN+Na"	64.015768
"1719149"	426.205693	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+NH4+HCOOH"	64.039293
"1185604"	143.711351333333	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+3Na"	68.967654
"1664370"	431.161088	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Na+HCOOH"	68.994688
"169651"	801.25184	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+2K-H"	76.91904
"607753"	1163.41824	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+2K-H"	76.91904
"1093720"	439.08544	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2K-H"	76.91904
"144337"	401.129558	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"2M+2K"	77.926316
"590824"	582.212758	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"3M+2K"	77.926316
"1071696"	220.046358	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2K"	77.926316
"1104903"	441.099992	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2K+H"	78.933592
"1341288"	441.187607	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+DMSO+H"	79.021207
"1013098"	445.226776	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2ACN+H"	83.060376
"1525511"	446.220408	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+IsoProp+Na+H"	84.054008
"992202"	223.117026	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+2ACN+2H"	84.067652
"1589988"	447.135028	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+K+HCOOH"	84.968628
"1428418"	477.166538	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+H+CF3COOH"	115.000138
"1162232"	243.630301	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+3ACN+2H"	125.094202
"1710810"	494.193085	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+NH4+CF3COOH"	132.026685
"1649617"	499.14848	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+Na+CF3COOH"	136.98208
"1586481"	515.12242	"C11709"	"DU 122290"	"C19H26N2O3S"	"362.1664"	"M+K+CF3COOH"	152.95602
"816766"	408.1586	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M"	0
"983817"	389.14021	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-H2O-H"	-19.01839
"69873"	271.098457333333	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M-3H"	-3.021828
"513807"	407.151324	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M-3H"	-3.021828
"893797"	135.045590666667	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-3H"	-3.021828
"12371"	407.151324	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M-2H"	-2.014552
"451932"	611.230624	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M-2H"	-2.014552
"830464"	203.072024	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-2H"	-2.014552
"91184"	815.309924	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M-H"	-1.007276
"530380"	1223.468524	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M-H"	-1.007276
"898706"	407.151324	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-H"	-1.007276
"47976"	832.336471	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M-2H+NH4"	16.019271
"498843"	1240.495071	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M-2H+NH4"	16.019271
"872272"	424.177871	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-2H+NH4"	16.019271
"40170"	837.291866	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M-2H+Na"	20.974666
"486540"	1245.450466	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M-2H+Na"	20.974666
"858627"	429.133266	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-2H+Na"	20.974666
"1629253"	429.133266	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Na-2H"	20.974666
"108707"	425.139663	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M-H+Cl"	33.962126
"547172"	629.218963	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M-H+Cl"	33.962126
"939595"	221.060363	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-H+Cl"	33.962126
"282123"	851.286602	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+Cl"	34.969402
"670937"	1259.445202	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+Cl"	34.969402
"1283339"	443.128002	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Cl"	34.969402
"23705"	853.265806	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M-2H+K"	36.948606
"463264"	1261.424406	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M-2H+K"	36.948606
"837057"	445.107206	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-2H+K"	36.948606
"1556662"	445.107206	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+K-2H"	36.948606
"943697"	453.156794	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-H+HCOOH"	44.998194
"362761"	861.315401	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+HCOOH-H"	44.998201
"349075"	875.331051	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+Hac-H"	59.013851
"1495353"	467.172451	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Hac-H"	59.013851
"961072"	475.138751	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-H+NaCOOH"	66.980151
"112170"	443.128002	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+2Cl"	69.938804
"553194"	647.207302	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+2Cl"	69.938804
"1028192"	239.048702	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2Cl"	69.938804
"1246676"	487.077485	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Br"	78.918885
"1309124"	489.133472	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Cl+HCOOH"	80.974872
"1322610"	511.115429	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Cl+NaCOOH"	102.956829
"912939"	521.144186	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M-H+CF3COOH"	112.985586
"1292196"	557.120864	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Cl+CF3COOH"	148.962264
"1372544"	373.145924	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H-2H2O"	-35.012676
"1384573"	391.1559	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H-H2O"	-17.0027
"285356"	817.324476	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+H"	1.007276
"676686"	1225.483076	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+H"	1.007276
"1356317"	409.165876	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H"	1.007276
"128840"	409.165876	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+2H"	2.014552
"571316"	613.245176	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+2H"	2.014552
"1045218"	205.086576	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2H"	2.014552
"218584"	273.113009333333	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+3H"	3.021828
"645022"	409.165876	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+3H"	3.021828
"1164610"	137.060142666667	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+3H"	3.021828
"424964"	834.351023	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+NH4"	18.033823
"787783"	1242.509623	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+NH4"	18.033823
"1683022"	426.192423	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+NH4"	18.033823
"332393"	417.6791495	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+H+NH4"	19.041099
"725907"	621.7584495	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+H+NH4"	19.041099
"1483008"	213.5998495	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H+NH4"	19.041099
"397678"	839.306418	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+Na"	22.989218
"763410"	1247.465018	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+Na"	22.989218
"1607133"	431.147818	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Na"	22.989218
"317173"	420.156847	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+H+Na"	23.996494
"708866"	624.236147	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+H+Na"	23.996494
"1463415"	216.077547	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H+Na"	23.996494
"1054835"	144.387456666667	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2H+Na"	25.00377
"1263822"	441.192086	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+CH3OH+H"	33.033486
"379479"	855.280358	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+K"	38.963158
"754061"	1263.438958	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+K"	38.963158
"1549823"	447.121758	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+K"	38.963158
"308092"	428.143817	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+H+K"	39.970434
"706925"	632.223117	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+H+K"	39.970434
"1458708"	224.064517	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H+K"	39.970434
"240024"	858.351026	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+ACN+H"	42.033826
"1214553"	450.192426	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+ACN+H"	42.033826
"1197342"	225.599851	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+ACN+2H"	43.041102
"191306"	861.28836	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+2Na-H"	44.97116
"636334"	1269.44696	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+2Na-H"	44.97116
"1143119"	453.12976	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2Na-H"	44.97116
"175838"	431.147818	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+2Na"	45.978436
"618321"	635.227118	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+2Na"	45.978436
"1121826"	227.068518	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2Na"	45.978436
"1412642"	151.714770666667	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H+2Na"	46.985712
"1442572"	455.171346	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H+HCOOH"	47.012746
"227162"	436.18084	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+3H2O+2H"	56.04448
"1516316"	469.22339	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+IsoProp+H"	61.06479
"414179"	439.134788	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+Na+K"	61.952376
"771528"	643.214088	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+Na+K"	61.952376
"1675518"	235.055488	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Na+K"	61.952376
"260946"	880.332968	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+ACN+Na"	64.015768
"1232562"	472.174368	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+ACN+Na"	64.015768
"1721448"	472.197893	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+NH4+HCOOH"	64.039293
"1186802"	159.042084666667	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+3Na"	68.967654
"1663994"	477.153288	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Na+HCOOH"	68.994688
"168668"	893.23624	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+2K-H"	76.91904
"608957"	1301.39484	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+2K-H"	76.91904
"1096384"	485.07764	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2K-H"	76.91904
"151008"	447.121758	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"2M+2K"	77.926316
"591662"	651.201058	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"3M+2K"	77.926316
"1072899"	243.042458	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2K"	77.926316
"1109387"	487.092192	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2K+H"	78.933592
"1341398"	487.179807	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+DMSO+H"	79.021207
"1013208"	491.218976	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2ACN+H"	83.060376
"1526959"	492.212608	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+IsoProp+Na+H"	84.054008
"994499"	246.113126	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+2ACN+2H"	84.067652
"1593377"	493.127228	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+K+HCOOH"	84.968628
"1426702"	523.158738	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+H+CF3COOH"	115.000138
"1155897"	266.626401	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+3ACN+2H"	125.094202
"1706541"	540.185285	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+NH4+CF3COOH"	132.026685
"1642192"	545.14068	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+Na+CF3COOH"	136.98208
"1586591"	561.11462	"C11710"	"Devazepide;MK-329"	"C25H20N4O2"	"408.1586"	"M+K+CF3COOH"	152.95602
"807115"	215.0794	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M"	0
"977367"	196.06101	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-H2O-H"	-19.01839
"63786"	142.378990666667	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M-3H"	-3.021828
"508450"	214.072124	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M-3H"	-3.021828
"888439"	70.6858573333333	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-3H"	-3.021828
"9201"	214.072124	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M-2H"	-2.014552
"449854"	321.611824	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M-2H"	-2.014552
"830574"	106.532424	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-2H"	-2.014552
"89835"	429.151524	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M-H"	-1.007276
"526116"	644.230924	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M-H"	-1.007276
"898086"	214.072124	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-H"	-1.007276
"48815"	446.178071	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M-2H+NH4"	16.019271
"488743"	661.257471	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M-2H+NH4"	16.019271
"875662"	231.098671	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-2H+NH4"	16.019271
"41373"	451.133466	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M-2H+Na"	20.974666
"486771"	666.212866	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M-2H+Na"	20.974666
"859831"	236.054066	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-2H+Na"	20.974666
"1627176"	236.054066	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Na-2H"	20.974666
"108086"	232.060463	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M-H+Cl"	33.962126
"545459"	339.600163	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M-H+Cl"	33.962126
"940069"	124.520763	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-H+Cl"	33.962126
"282029"	465.128202	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+Cl"	34.969402
"664487"	680.207602	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+Cl"	34.969402
"1281262"	250.048802	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Cl"	34.969402
"21628"	467.107406	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M-2H+K"	36.948606
"460094"	682.186806	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M-2H+K"	36.948606
"836802"	252.028006	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-2H+K"	36.948606
"1557380"	252.028006	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+K-2H"	36.948606
"943440"	260.077594	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-H+HCOOH"	44.998194
"362019"	475.157001	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+HCOOH-H"	44.998201
"346754"	489.172651	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+Hac-H"	59.013851
"1494005"	274.093251	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Hac-H"	59.013851
"960090"	282.059551	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-H+NaCOOH"	66.980151
"112280"	250.048802	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+2Cl"	69.938804
"553304"	357.588502	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+2Cl"	69.938804
"1028302"	142.509102	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2Cl"	69.938804
"1246786"	293.998285	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Br"	78.918885
"1309234"	296.054272	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Cl+HCOOH"	80.974872
"1322355"	318.036229	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Cl+NaCOOH"	102.956829
"913778"	328.064986	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M-H+CF3COOH"	112.985586
"1290483"	364.041664	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Cl+CF3COOH"	148.962264
"1372654"	180.066724	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H-2H2O"	-35.012676
"1386870"	198.0767	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H-H2O"	-17.0027
"284736"	431.166076	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+H"	1.007276
"677889"	646.245476	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+H"	1.007276
"1355333"	216.086676	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H"	1.007276
"130408"	216.086676	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+2H"	2.014552
"572155"	323.626376	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+2H"	2.014552
"1046421"	108.546976	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2H"	2.014552
"218331"	144.393542666667	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+3H"	3.021828
"644888"	216.086676	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+3H"	3.021828
"1164717"	72.7004093333333	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+3H"	3.021828
"425806"	448.192623	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+NH4"	18.033823
"787528"	663.272023	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+NH4"	18.033823
"1685682"	233.113223	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+NH4"	18.033823
"333963"	224.5999495	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+H+NH4"	19.041099
"723466"	332.1396495	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+H+NH4"	19.041099
"1482024"	117.0602495	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H+NH4"	19.041099
"397787"	453.148018	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+Na"	22.989218
"763520"	668.227418	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+Na"	22.989218
"1608338"	238.068618	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Na"	22.989218
"315826"	227.077647	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+H+Na"	23.996494
"708977"	334.617347	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+H+Na"	23.996494
"1464253"	119.537947	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H+Na"	23.996494
"1052825"	80.0277233333333	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2H+Na"	25.00377
"1263932"	248.112886	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+CH3OH+H"	33.033486
"379225"	469.121958	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+K"	38.963158
"754089"	684.201358	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+K"	38.963158
"1551025"	254.042558	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+K"	38.963158
"307106"	235.064617	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+H+K"	39.970434
"706790"	342.604317	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+H+K"	39.970434
"1459547"	127.524917	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H+K"	39.970434
"239770"	472.192626	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+ACN+H"	42.033826
"1212841"	257.113226	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+ACN+H"	42.033826
"1197452"	129.060251	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+ACN+2H"	43.041102
"191416"	475.12996	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+2Na-H"	44.97116
"641911"	690.20936	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+2Na-H"	44.97116
"1138855"	260.05056	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2Na-H"	44.97116
"176315"	238.068618	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+2Na"	45.978436
"618431"	345.608318	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+2Na"	45.978436
"1121936"	130.528918	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2Na"	45.978436
"1407647"	87.3550373333333	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H+2Na"	46.985712
"1434659"	262.092146	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H+HCOOH"	47.012746
"227272"	243.10164	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+3H2O+2H"	56.04448
"1512417"	276.14419	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+IsoProp+H"	61.06479
"409186"	246.055588	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+Na+K"	61.952376
"770180"	353.595288	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+Na+K"	61.952376
"1674534"	138.515888	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Na+K"	61.952376
"259962"	494.174568	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+ACN+Na"	64.015768
"1232671"	279.095168	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+ACN+Na"	64.015768
"1713900"	279.118693	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+NH4+HCOOH"	64.039293
"1185819"	94.6823513333333	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+3Na"	68.967654
"1663736"	284.074088	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Na+HCOOH"	68.994688
"169140"	507.07784	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+2K-H"	76.91904
"609429"	722.15724	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+2K-H"	76.91904
"1097586"	291.99844	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2K-H"	76.91904
"147838"	254.042558	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"2M+2K"	77.926316
"588492"	361.582258	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"3M+2K"	77.926316
"1071187"	146.502858	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2K"	77.926316
"1105122"	294.012992	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2K+H"	78.933592
"1337134"	294.100607	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+DMSO+H"	79.021207
"1010038"	298.139776	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2ACN+H"	83.060376
"1525976"	299.133408	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+IsoProp+Na+H"	84.054008
"992424"	149.573526	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+2ACN+2H"	84.067652
"1589476"	300.048028	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+K+HCOOH"	84.968628
"1427177"	330.079538	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+H+CF3COOH"	115.000138
"1157100"	170.086801	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+3ACN+2H"	125.094202
"1706651"	347.106085	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+NH4+CF3COOH"	132.026685
"1642302"	352.06148	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+Na+CF3COOH"	136.98208
"1586701"	368.03542	"C11711"	"Succinylproline;Succinyl-L-proline"	"C9H13NO5"	"215.0794"	"M+K+CF3COOH"	152.95602
"807225"	1100.5767	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M"	0
"978570"	1081.55831	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-H2O-H"	-19.01839
"65718"	732.710524	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M-3H"	-3.021828
"508560"	1099.569424	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M-3H"	-3.021828
"888549"	365.851624	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-3H"	-3.021828
"9311"	1099.569424	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M-2H"	-2.014552
"449964"	1649.857774	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M-2H"	-2.014552
"829834"	549.281074	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-2H"	-2.014552
"89945"	2200.146124	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M-H"	-1.007276
"526226"	3300.722824	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M-H"	-1.007276
"897103"	1099.569424	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-H"	-1.007276
"48924"	2217.172671	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M-2H+NH4"	16.019271
"488853"	3317.749371	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M-2H+NH4"	16.019271
"875772"	1116.595971	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-2H+NH4"	16.019271
"40390"	2222.128066	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M-2H+Na"	20.974666
"485668"	3322.704766	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M-2H+Na"	20.974666
"858848"	1121.551366	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-2H+Na"	20.974666
"1627286"	1121.551366	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Na-2H"	20.974666
"108199"	1117.557763	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M-H+Cl"	33.962126
"547391"	1667.846113	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M-H+Cl"	33.962126
"940178"	567.269413	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-H+Cl"	33.962126
"281287"	2236.122802	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+Cl"	34.969402
"667877"	3336.699502	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+Cl"	34.969402
"1281372"	1135.546102	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Cl"	34.969402
"20645"	2238.102006	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M-2H+K"	36.948606
"460204"	3338.678706	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M-2H+K"	36.948606
"834359"	1137.525306	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-2H+K"	36.948606
"1558219"	1137.525306	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+K-2H"	36.948606
"943552"	1145.574894	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-H+HCOOH"	44.998194
"361614"	2246.151601	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+HCOOH-H"	44.998201
"346864"	2260.167251	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+Hac-H"	59.013851
"1492868"	1159.590551	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Hac-H"	59.013851
"958512"	1167.556851	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-H+NaCOOH"	66.980151
"109998"	1135.546102	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+2Cl"	69.938804
"553050"	1685.834452	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+2Cl"	69.938804
"1028412"	585.257752	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2Cl"	69.938804
"1247989"	1179.495585	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Br"	78.918885
"1307157"	1181.551572	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Cl+HCOOH"	80.974872
"1321369"	1203.533529	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Cl+NaCOOH"	102.956829
"911982"	1213.562286	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M-H+CF3COOH"	112.985586
"1290229"	1249.538964	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Cl+CF3COOH"	148.962264
"1372764"	1065.564024	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H-2H2O"	-35.012676
"1389166"	1083.574	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H-H2O"	-17.0027
"283104"	2202.160676	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+H"	1.007276
"677994"	3302.737376	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+H"	1.007276
"1352890"	1101.583976	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H"	1.007276
"127600"	1101.583976	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+2H"	2.014552
"571172"	1651.872326	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+2H"	2.014552
"1043251"	551.295626	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2H"	2.014552
"211150"	734.725076	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+3H"	3.021828
"645727"	1101.583976	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+3H"	3.021828
"1163977"	367.866176	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+3H"	3.021828
"425916"	2219.187223	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+NH4"	18.033823
"786908"	3319.763923	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+NH4"	18.033823
"1683970"	1118.610523	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+NH4"	18.033823
"334073"	1110.0972495	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+H+NH4"	19.041099
"725399"	1660.3855995	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+H+NH4"	19.041099
"1479217"	559.8088995	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H+NH4"	19.041099
"396803"	2224.142618	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+Na"	22.989218
"761443"	3324.719318	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+Na"	22.989218
"1610634"	1123.565918	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Na"	22.989218
"315935"	1112.574947	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+H+Na"	23.996494
"709452"	1662.863297	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+H+Na"	23.996494
"1463999"	562.286597	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H+Na"	23.996494
"1053231"	375.19349	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2H+Na"	25.00377
"1260758"	1133.610186	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+CH3OH+H"	33.033486
"381518"	2240.116558	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+K"	38.963158
"746894"	3340.693258	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+K"	38.963158
"1545667"	1139.539858	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+K"	38.963158
"301748"	1120.561917	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+H+K"	39.970434
"695265"	1670.850267	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+H+K"	39.970434
"1455646"	570.273567	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H+K"	39.970434
"240973"	2243.187226	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+ACN+H"	42.033826
"1211128"	1142.610526	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+ACN+H"	42.033826
"1197561"	571.808901	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+ACN+2H"	43.041102
"190434"	2246.12456	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+2Na-H"	44.97116
"641900"	3346.70126	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+2Na-H"	44.97116
"1141152"	1145.54786	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2Na-H"	44.97116
"176422"	1123.565918	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+2Na"	45.978436
"620727"	1673.854268	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+2Na"	45.978436
"1120587"	573.277568	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2Na"	45.978436
"1407757"	382.520804	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H+2Na"	46.985712
"1435862"	1147.589446	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H+HCOOH"	47.012746
"228110"	1128.59894	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+3H2O+2H"	56.04448
"1512891"	1161.64149	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+IsoProp+H"	61.06479
"410024"	1131.552888	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+Na+K"	61.952376
"770528"	1681.841238	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+Na+K"	61.952376
"1672821"	581.264538	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Na+K"	61.952376
"260072"	2265.169168	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+ACN+Na"	64.015768
"1231323"	1164.592468	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+ACN+Na"	64.015768
"1714374"	1164.615993	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+NH4+HCOOH"	64.039293
"1184836"	389.848118	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+3Na"	68.967654
"1660930"	1169.571388	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Na+HCOOH"	68.994688
"169250"	2278.07244	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+2K-H"	76.91904
"607717"	3378.64914	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+2K-H"	76.91904
"1095145"	1177.49574	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2K-H"	76.91904
"147948"	1139.539858	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"2M+2K"	77.926316
"587509"	1689.828208	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"3M+2K"	77.926316
"1073120"	589.251508	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2K"	77.926316
"1103046"	1179.510292	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2K+H"	78.933592
"1338338"	1179.597907	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+DMSO+H"	79.021207
"1012335"	1183.637076	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2ACN+H"	83.060376
"1524305"	1184.630708	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+IsoProp+Na+H"	84.054008
"992534"	592.322176	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+2ACN+2H"	84.067652
"1590315"	1185.545328	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+K+HCOOH"	84.968628
"1427651"	1215.576838	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+H+CF3COOH"	115.000138
"1156117"	612.835451	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+3ACN+2H"	125.094202
"1706761"	1232.603385	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+NH4+CF3COOH"	132.026685
"1642412"	1237.55878	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+Na+CF3COOH"	136.98208
"1586811"	1253.53272	"C11712"	"Teprotide"	"C53H76N14O12"	"1100.5767"	"M+K+CF3COOH"	152.95602
"807335"	144.0575	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M"	0
"984149"	125.03911	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-H2O-H"	-19.01839
"70204"	95.0310573333333	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M-3H"	-3.021828
"514138"	143.050224	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M-3H"	-3.021828
"894129"	47.0118906666667	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-3H"	-3.021828
"12703"	143.050224	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M-2H"	-2.014552
"453356"	215.078974	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M-2H"	-2.014552
"828970"	71.021474	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-2H"	-2.014552
"92244"	287.107724	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M-H"	-1.007276
"530346"	431.165224	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M-H"	-1.007276
"897942"	143.050224	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-H"	-1.007276
"48671"	304.134271	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M-2H+NH4"	16.019271
"488477"	448.191771	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M-2H+NH4"	16.019271
"866037"	160.076771	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-2H+NH4"	16.019271
"40500"	309.089666	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M-2H+Na"	20.974666
"486268"	453.147166	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M-2H+Na"	20.974666
"860051"	165.032166	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-2H+Na"	20.974666
"1629584"	165.032166	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Na-2H"	20.974666
"106117"	161.038563	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M-H+Cl"	33.962126
"546772"	233.067313	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M-H+Cl"	33.962126
"940654"	89.009813	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-H+Cl"	33.962126
"281764"	323.084402	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+Cl"	34.969402
"667987"	467.141902	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+Cl"	34.969402
"1281482"	179.026902	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Cl"	34.969402
"20755"	325.063606	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M-2H+K"	36.948606
"465781"	469.121106	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M-2H+K"	36.948606
"840303"	181.006106	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-2H+K"	36.948606
"1557236"	181.006106	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+K-2H"	36.948606
"942831"	189.055694	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-H+HCOOH"	44.998194
"361504"	333.113201	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+HCOOH-H"	44.998201
"347219"	347.128851	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+Hac-H"	59.013851
"1494222"	203.071351	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Hac-H"	59.013851
"958768"	211.037651	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-H+NaCOOH"	66.980151
"110798"	179.026902	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+2Cl"	69.938804
"553160"	251.055652	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+2Cl"	69.938804
"1028522"	106.998152	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2Cl"	69.938804
"1247006"	222.976385	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Br"	78.918885
"1307267"	225.032372	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Cl+HCOOH"	80.974872
"1321116"	247.014329	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Cl+NaCOOH"	102.956829
"912540"	257.043086	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M-H+CF3COOH"	112.985586
"1290340"	293.019764	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Cl+CF3COOH"	148.962264
"1373968"	109.044824	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H-2H2O"	-35.012676
"1387090"	127.0548	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H-H2O"	-17.0027
"284592"	289.122276	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+H"	1.007276
"679199"	433.179776	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+H"	1.007276
"1354094"	145.064776	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H"	1.007276
"129169"	145.064776	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+2H"	2.014552
"570187"	217.093526	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+2H"	2.014552
"1046642"	73.036026	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2H"	2.014552
"216729"	97.0456093333333	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+3H"	3.021828
"646443"	145.064776	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+3H"	3.021828
"1167491"	49.0264426666667	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+3H"	3.021828
"425903"	306.148823	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+NH4"	18.033823
"791394"	450.206323	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+NH4"	18.033823
"1690642"	162.091323	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+NH4"	18.033823
"334547"	153.5780495	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+H+NH4"	19.041099
"728425"	225.6067995	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+H+NH4"	19.041099
"1487347"	81.5492995	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H+NH4"	19.041099
"407120"	311.104218	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+Na"	22.989218
"761553"	455.161718	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+Na"	22.989218
"1610745"	167.046718	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Na"	22.989218
"319694"	156.055747	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+H+Na"	23.996494
"713206"	228.084497	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+H+Na"	23.996494
"1465932"	84.026997	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H+Na"	23.996494
"1056263"	56.3537566666667	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2H+Na"	25.00377
"1259774"	177.090986	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+CH3OH+H"	33.033486
"382721"	327.078158	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+K"	38.963158
"744817"	471.135658	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+K"	38.963158
"1546870"	183.020658	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+K"	38.963158
"301859"	164.042717	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+H+K"	39.970434
"699749"	236.071467	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+H+K"	39.970434
"1457943"	92.013967	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H+K"	39.970434
"238895"	330.148826	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+ACN+H"	42.033826
"1212696"	186.091326	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+ACN+H"	42.033826
"1197670"	93.549301	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+ACN+2H"	43.041102
"190543"	333.08616	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+2Na-H"	44.97116
"639944"	477.14366	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+2Na-H"	44.97116
"1145151"	189.02866	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2Na-H"	44.97116
"179086"	167.046718	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+2Na"	45.978436
"619744"	239.075468	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+2Na"	45.978436
"1120333"	95.017968	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2Na"	45.978436
"1406773"	63.6810706666667	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H+2Na"	46.985712
"1434148"	191.070246	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H+HCOOH"	47.012746
"224574"	172.07974	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+3H2O+2H"	56.04448
"1512270"	205.12229	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+IsoProp+H"	61.06479
"410863"	175.033688	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+Na+K"	61.952376
"770439"	247.062438	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+Na+K"	61.952376
"1672931"	103.004938	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Na+K"	61.952376
"259087"	352.130768	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+ACN+Na"	64.015768
"1229606"	208.073268	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+ACN+Na"	64.015768
"1714119"	208.096793	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+NH4+HCOOH"	64.039293
"1184946"	71.0083846666667	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+3Na"	68.967654
"1660310"	213.052188	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Na+HCOOH"	68.994688
"169360"	365.03404	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+2K-H"	76.91904
"608920"	509.09154	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+2K-H"	76.91904
"1094525"	220.97654	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2K-H"	76.91904
"148058"	183.020658	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"2M+2K"	77.926316
"588712"	255.049408	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"3M+2K"	77.926316
"1071043"	110.991908	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2K"	77.926316
"1102063"	222.991092	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2K+H"	78.933592
"1338451"	223.078707	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+DMSO+H"	79.021207
"1009164"	227.117876	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2ACN+H"	83.060376
"1525469"	228.111508	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+IsoProp+Na+H"	84.054008
"995925"	114.062576	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+2ACN+2H"	84.067652
"1590429"	229.026128	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+K+HCOOH"	84.968628
"1425938"	259.057638	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+H+CF3COOH"	115.000138
"1156227"	134.575851	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+3ACN+2H"	125.094202
"1704683"	276.084185	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+NH4+CF3COOH"	132.026685
"1642522"	281.03958	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+Na+CF3COOH"	136.98208
"1577078"	297.01352	"C11713"	"2-Naphthol;beta-Naphthol"	"C10H8O"	"144.0575"	"M+K+CF3COOH"	152.95602
"810725"	144.0575	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M"	0
"984259"	125.03911	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-H2O-H"	-19.01839
"68127"	95.0310573333333	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M-3H"	-3.021828
"510968"	143.050224	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M-3H"	-3.021828
"893997"	47.0118906666667	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-3H"	-3.021828
"12813"	143.050224	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M-2H"	-2.014552
"453466"	215.078974	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M-2H"	-2.014552
"827986"	71.021474	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-2H"	-2.014552
"86885"	287.107724	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M-H"	-1.007276
"526447"	431.165224	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M-H"	-1.007276
"898173"	143.050224	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-H"	-1.007276
"48415"	304.134271	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M-2H+NH4"	16.019271
"490532"	448.191771	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M-2H+NH4"	16.019271
"866510"	160.076771	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-2H+NH4"	16.019271
"40610"	309.089666	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M-2H+Na"	20.974666
"481265"	453.147166	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M-2H+Na"	20.974666
"860161"	165.032166	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-2H+Na"	20.974666
"1627507"	165.032166	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Na-2H"	20.974666
"99661"	161.038563	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M-H+Cl"	33.962126
"546882"	233.067313	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M-H+Cl"	33.962126
"940398"	89.009813	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-H+Cl"	33.962126
"281141"	323.084402	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+Cl"	34.969402
"664817"	467.141902	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+Cl"	34.969402
"1275395"	179.026902	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Cl"	34.969402
"19773"	325.063606	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M-2H+K"	36.948606
"459331"	469.121106	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M-2H+K"	36.948606
"834948"	181.006106	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-2H+K"	36.948606
"1556008"	181.006106	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+K-2H"	36.948606
"942864"	189.055694	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-H+HCOOH"	44.998194
"362219"	333.113201	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+HCOOH-H"	44.998201
"346109"	347.128851	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+Hac-H"	59.013851
"1493844"	203.071351	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Hac-H"	59.013851
"958954"	211.037651	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-H+NaCOOH"	66.980151
"110534"	179.026902	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+2Cl"	69.938804
"556550"	251.055652	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+2Cl"	69.938804
"1028632"	106.998152	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2Cl"	69.938804
"1248209"	222.976385	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Br"	78.918885
"1308470"	225.032372	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Cl+HCOOH"	80.974872
"1322685"	247.014329	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Cl+NaCOOH"	102.956829
"913014"	257.043086	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M-H+CF3COOH"	112.985586
"1288741"	293.019764	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Cl+CF3COOH"	148.962264
"1367882"	109.044824	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H-2H2O"	-35.012676
"1386107"	127.0548	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H-H2O"	-17.0027
"283243"	289.122276	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+H"	1.007276
"678216"	433.179776	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+H"	1.007276
"1352016"	145.064776	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H"	1.007276
"126360"	145.064776	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+2H"	2.014552
"567376"	217.093526	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+2H"	2.014552
"1042378"	73.036026	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2H"	2.014552
"209184"	97.0456093333333	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+3H"	3.021828
"645097"	145.064776	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+3H"	3.021828
"1164443"	49.0264426666667	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+3H"	3.021828
"428688"	306.148823	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+NH4"	18.033823
"789318"	450.206323	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+NH4"	18.033823
"1684190"	162.091323	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+NH4"	18.033823
"334657"	153.5780495	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+H+NH4"	19.041099
"725985"	225.6067995	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+H+NH4"	19.041099
"1485271"	81.5492995	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H+NH4"	19.041099
"401763"	311.104218	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+Na"	22.989218
"768103"	455.161718	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+Na"	22.989218
"1607575"	167.046718	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Na"	22.989218
"316887"	156.055747	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+H+Na"	23.996494
"710765"	228.084497	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+H+Na"	23.996494
"1465314"	84.026997	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H+Na"	23.996494
"1056007"	56.3537566666667	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2H+Na"	25.00377
"1260978"	177.090986	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+CH3OH+H"	33.033486
"382832"	327.078158	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+K"	38.963158
"747843"	471.135658	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+K"	38.963158
"1550260"	183.020658	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+K"	38.963158
"305249"	164.042717	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+H+K"	39.970434
"700952"	236.071467	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+H+K"	39.970434
"1459877"	92.013967	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H+K"	39.970434
"244467"	330.148826	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+ACN+H"	42.033826
"1212806"	186.091326	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+ACN+H"	42.033826
"1198143"	93.549301	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+ACN+2H"	43.041102
"193933"	333.08616	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+2Na-H"	44.97116
"643220"	477.14366	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+2Na-H"	44.97116
"1145382"	189.02866	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2Na-H"	44.97116
"180288"	167.046718	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+2Na"	45.978436
"620947"	239.075468	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+2Na"	45.978436
"1118255"	95.017968	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2Na"	45.978436
"1403237"	63.6810706666667	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H+2Na"	46.985712
"1432435"	191.070246	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H+HCOOH"	47.012746
"223587"	172.07974	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+3H2O+2H"	56.04448
"1510915"	205.12229	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+IsoProp+H"	61.06479
"410238"	175.033688	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+Na+K"	61.952376
"770266"	247.062438	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+Na+K"	61.952376
"1666228"	103.004938	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Na+K"	61.952376
"253359"	352.130768	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+ACN+Na"	64.015768
"1228619"	208.073268	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+ACN+Na"	64.015768
"1715318"	208.096793	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+NH4+HCOOH"	64.039293
"1184323"	71.0083846666667	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+3Na"	68.967654
"1656039"	213.052188	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Na+HCOOH"	68.994688
"157785"	365.03404	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+2K-H"	76.91904
"598453"	509.09154	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+2K-H"	76.91904
"1087337"	220.97654	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2K-H"	76.91904
"143425"	183.020658	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"2M+2K"	77.926316
"588458"	255.049408	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"3M+2K"	77.926316
"1079532"	110.991908	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2K"	77.926316
"1105451"	222.991092	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2K+H"	78.933592
"1336488"	223.078707	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+DMSO+H"	79.021207
"1006228"	227.117876	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2ACN+H"	83.060376
"1524394"	228.111508	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+IsoProp+Na+H"	84.054008
"990440"	114.062576	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+2ACN+2H"	84.067652
"1587130"	229.026128	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+K+HCOOH"	84.968628
"1423860"	259.057638	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+H+CF3COOH"	115.000138
"1150868"	134.575851	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+3ACN+2H"	125.094202
"1701513"	276.084185	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+NH4+CF3COOH"	132.026685
"1636070"	281.03958	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+Na+CF3COOH"	136.98208
"1571316"	297.01352	"C11714"	"1-Naphthol;alpha-Naphthol"	"C10H8O"	"144.0575"	"M+K+CF3COOH"	152.95602
"810835"	340.1609	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M"	0
"982181"	321.14251	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-H2O-H"	-19.01839
"69330"	225.766657333333	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M-3H"	-3.021828
"511078"	339.153624	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M-3H"	-3.021828
"894230"	112.379690666667	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-3H"	-3.021828
"14018"	339.153624	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M-2H"	-2.014552
"454430"	509.234074	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M-2H"	-2.014552
"827003"	169.073174	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-2H"	-2.014552
"86994"	679.314524	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M-H"	-1.007276
"530929"	1019.475424	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M-H"	-1.007276
"897432"	339.153624	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-H"	-1.007276
"49133"	696.341071	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M-2H+NH4"	16.019271
"491735"	1036.501971	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M-2H+NH4"	16.019271
"867350"	356.180171	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-2H+NH4"	16.019271
"44002"	701.296466	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M-2H+Na"	20.974666
"480282"	1041.457366	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M-2H+Na"	20.974666
"859178"	361.135566	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-2H+Na"	20.974666
"1627617"	361.135566	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Na-2H"	20.974666
"99771"	357.141963	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M-H+Cl"	33.962126
"549061"	527.222413	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M-H+Cl"	33.962126
"940508"	187.061513	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-H+Cl"	33.962126
"280159"	715.291202	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+Cl"	34.969402
"671488"	1055.452102	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+Cl"	34.969402
"1278423"	375.130302	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Cl"	34.969402
"22071"	717.270406	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M-2H+K"	36.948606
"462723"	1057.431306	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M-2H+K"	36.948606
"836150"	377.109506	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-2H+K"	36.948606
"1556482"	377.109506	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+K-2H"	36.948606
"943551"	385.159094	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-H+HCOOH"	44.998194
"362211"	725.320001	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+HCOOH-H"	44.998201
"346822"	739.335651	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+Hac-H"	59.013851
"1493833"	399.174751	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Hac-H"	59.013851
"958860"	407.141051	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-H+NaCOOH"	66.980151
"111128"	375.130302	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+2Cl"	69.938804
"556660"	545.210752	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+2Cl"	69.938804
"1036033"	205.049852	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2Cl"	69.938804
"1253787"	419.079785	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Br"	78.918885
"1310768"	421.135772	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Cl+HCOOH"	80.974872
"1321703"	443.117729	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Cl+NaCOOH"	102.956829
"913488"	453.146486	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M-H+CF3COOH"	112.985586
"1289457"	489.123164	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Cl+CF3COOH"	148.962264
"1367741"	305.148224	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H-2H2O"	-35.012676
"1385124"	323.1582	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H-H2O"	-17.0027
"284811"	681.329076	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+H"	1.007276
"677233"	1021.489976	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+H"	1.007276
"1352002"	341.168176	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H"	1.007276
"128294"	341.168176	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+2H"	2.014552
"566191"	511.248626	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+2H"	2.014552
"1039936"	171.087726	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2H"	2.014552
"208564"	227.781209333333	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+3H"	3.021828
"644722"	341.168176	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+3H"	3.021828
"1165892"	114.394242666667	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+3H"	3.021828
"426245"	698.355623	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+NH4"	18.033823
"790156"	1038.516523	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+NH4"	18.033823
"1685028"	358.194723	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+NH4"	18.033823
"335860"	349.6814495	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+H+NH4"	19.041099
"728281"	519.7618995	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+H+NH4"	19.041099
"1484287"	179.6009995	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H+NH4"	19.041099
"400779"	703.311018	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+Na"	22.989218
"762867"	1043.471918	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+Na"	22.989218
"1607685"	363.150118	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Na"	22.989218
"316633"	352.159147	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+H+Na"	23.996494
"713425"	522.239597	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+H+Na"	23.996494
"1465059"	182.078697	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H+Na"	23.996494
"1054294"	121.721556666667	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2H+Na"	25.00377
"1266555"	373.194386	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+CH3OH+H"	33.033486
"384037"	719.284958	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+K"	38.963158
"749776"	1059.445858	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+K"	38.963158
"1551463"	379.124058	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+K"	38.963158
"306453"	360.146117	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+H+K"	39.970434
"701062"	530.226567	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+H+K"	39.970434
"1460715"	190.065667	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H+K"	39.970434
"248587"	722.355626	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+ACN+H"	42.033826
"1215101"	382.194726	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+ACN+H"	42.033826
"1197889"	191.601001	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+ACN+2H"	43.041102
"197323"	725.29296	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+2Na-H"	44.97116
"641985"	1065.45386	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+2Na-H"	44.97116
"1145492"	385.13206	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2Na-H"	44.97116
"180399"	363.150118	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+2Na"	45.978436
"623238"	533.230568	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+2Na"	45.978436
"1121645"	193.069668	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2Na"	45.978436
"1402983"	129.048870666667	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H+2Na"	46.985712
"1433639"	387.173646	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H+HCOOH"	47.012746
"223333"	368.18314	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+3H2O+2H"	56.04448
"1509690"	401.22569	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+IsoProp+H"	61.06479
"409741"	371.137088	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+Na+K"	61.952376
"771707"	541.217538	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+Na+K"	61.952376
"1666822"	201.056638	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Na+K"	61.952376
"252496"	744.337568	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+ACN+Na"	64.015768
"1230915"	404.176668	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+ACN+Na"	64.015768
"1714335"	404.200193	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+NH4+HCOOH"	64.039293
"1178793"	136.376184666667	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+3Na"	68.967654
"1655420"	409.155588	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Na+HCOOH"	68.994688
"158023"	757.24084	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+2K-H"	76.91904
"605855"	1097.40174	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+2K-H"	76.91904
"1087087"	417.07994	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2K-H"	76.91904
"142565"	379.124058	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"2M+2K"	77.926316
"588932"	549.204508	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"3M+2K"	77.926316
"1076726"	209.043608	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2K"	77.926316
"1105561"	419.094492	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2K+H"	78.933592
"1338666"	419.182107	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+DMSO+H"	79.021207
"1006826"	423.221276	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2ACN+H"	83.060376
"1525069"	424.214908	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+IsoProp+Na+H"	84.054008
"990789"	212.114276	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+2ACN+2H"	84.067652
"1588699"	425.129528	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+K+HCOOH"	84.968628
"1426158"	455.161038	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+H+CF3COOH"	115.000138
"1157540"	232.627551	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+3ACN+2H"	125.094202
"1703810"	472.187585	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+NH4+CF3COOH"	132.026685
"1639461"	477.14298	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+Na+CF3COOH"	136.98208
"1574017"	493.11692	"C11715"	"Lucanthone"	"C20H24N2OS"	"340.1609"	"M+K+CF3COOH"	152.95602
"816048"	240.1393	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M"	0
"989722"	221.12091	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-H2O-H"	-19.01839
"73812"	159.085590666667	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M-3H"	-3.021828
"509000"	239.132024	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M-3H"	-3.021828
"893733"	79.0391573333333	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-3H"	-3.021828
"14128"	239.132024	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M-2H"	-2.014552
"455144"	359.201674	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M-2H"	-2.014552
"829665"	119.062374	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-2H"	-2.014552
"91478"	479.271324	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M-H"	-1.007276
"527759"	719.410624	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M-H"	-1.007276
"899000"	239.132024	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-H"	-1.007276
"47905"	496.297871	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M-2H+NH4"	16.019271
"491845"	736.437171	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M-2H+NH4"	16.019271
"866367"	256.158571	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-2H+NH4"	16.019271
"44112"	501.253266	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M-2H+Na"	20.974666
"483672"	741.392566	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M-2H+Na"	20.974666
"857099"	261.113966	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-2H+Na"	20.974666
"1628821"	261.113966	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Na-2H"	20.974666
"100975"	257.120363	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M-H+Cl"	33.962126
"549170"	377.190013	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M-H+Cl"	33.962126
"941712"	137.050713	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-H+Cl"	33.962126
"280269"	515.248002	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+Cl"	34.969402
"668317"	755.387302	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+Cl"	34.969402
"1281813"	275.108702	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Cl"	34.969402
"22181"	517.227206	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M-2H+K"	36.948606
"463926"	757.366506	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M-2H+K"	36.948606
"838448"	277.087906	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-2H+K"	36.948606
"1558659"	277.087906	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+K-2H"	36.948606
"944234"	285.137494	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-H+HCOOH"	44.998194
"361959"	525.276801	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+HCOOH-H"	44.998201
"346085"	539.292451	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+Hac-H"	59.013851
"1493581"	299.153151	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Hac-H"	59.013851
"960643"	307.119451	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-H+NaCOOH"	66.980151
"110398"	275.108702	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+2Cl"	69.938804
"556770"	395.178352	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+2Cl"	69.938804
"1036983"	155.039052	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2Cl"	69.938804
"1252804"	319.058185	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Br"	78.918885
"1314158"	321.114172	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Cl+HCOOH"	80.974872
"1324000"	343.096129	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Cl+NaCOOH"	102.956829
"915421"	353.124886	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M-H+CF3COOH"	112.985586
"1289328"	389.101564	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Cl+CF3COOH"	148.962264
"1370289"	205.126624	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H-2H2O"	-35.012676
"1383653"	223.1366	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H-H2O"	-17.0027
"286015"	481.285876	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+H"	1.007276
"677707"	721.425176	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+H"	1.007276
"1352235"	241.146576	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H"	1.007276
"130227"	241.146576	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+2H"	2.014552
"568694"	361.216226	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+2H"	2.014552
"1040776"	121.076926	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2H"	2.014552
"212684"	161.100142666667	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+3H"	3.021828
"646047"	241.146576	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+3H"	3.021828
"1165267"	81.0537093333333	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+3H"	3.021828
"426357"	498.312423	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+NH4"	18.033823
"788080"	738.451723	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+NH4"	18.033823
"1684410"	258.173123	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+NH4"	18.033823
"335969"	249.6598495	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+H+NH4"	19.041099
"726205"	369.7294995	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+H+NH4"	19.041099
"1485491"	129.5901995	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H+NH4"	19.041099
"405263"	503.267818	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+Na"	22.989218
"764071"	743.407118	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+Na"	22.989218
"1607794"	263.128518	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Na"	22.989218
"317103"	252.137547	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+H+Na"	23.996494
"710618"	372.207197	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+H+Na"	23.996494
"1464437"	132.067897	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H+Na"	23.996494
"1055862"	88.3810233333333	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2H+Na"	25.00377
"1264478"	273.172786	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+CH3OH+H"	33.033486
"386334"	519.241758	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+K"	38.963158
"751343"	759.381058	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+K"	38.963158
"1553032"	279.102458	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+K"	38.963158
"307292"	260.124517	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+H+K"	39.970434
"704088"	380.194167	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+H+K"	39.970434
"1460340"	140.054867	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H+K"	39.970434
"245417"	522.312426	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+ACN+H"	42.033826
"1223229"	282.173126	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+ACN+H"	42.033826
"1208937"	141.590201	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+ACN+2H"	43.041102
"198527"	525.24976	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+2Na-H"	44.97116
"641002"	765.38906	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+2Na-H"	44.97116
"1145602"	285.11046	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2Na-H"	44.97116
"182696"	263.128518	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+2Na"	45.978436
"625171"	383.198168	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+2Na"	45.978436
"1122848"	143.058868	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2Na"	45.978436
"1404916"	95.7083373333333	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H+2Na"	46.985712
"1434843"	287.152046	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H+HCOOH"	47.012746
"224536"	268.16154	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+3H2O+2H"	56.04448
"1512595"	301.20409	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+IsoProp+H"	61.06479
"411190"	271.115488	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+Na+K"	61.952376
"771454"	391.185138	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+Na+K"	61.952376
"1668148"	151.045838	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Na+K"	61.952376
"252243"	544.294368	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+ACN+Na"	64.015768
"1228839"	304.155068	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+ACN+Na"	64.015768
"1716266"	304.178593	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+NH4+HCOOH"	64.039293
"1180892"	103.035651333333	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+3Na"	68.967654
"1655894"	309.133988	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Na+HCOOH"	68.994688
"157888"	557.19764	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+2K-H"	76.91904
"605965"	797.33694	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+2K-H"	76.91904
"1088290"	317.05834	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2K-H"	76.91904
"144013"	279.102458	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"2M+2K"	77.926316
"589042"	399.172108	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"3M+2K"	77.926316
"1079752"	159.032808	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2K"	77.926316
"1105671"	319.072892	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2K+H"	78.933592
"1342056"	319.160507	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+DMSO+H"	79.021207
"1006815"	323.199676	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2ACN+H"	83.060376
"1524816"	324.193308	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+IsoProp+Na+H"	84.054008
"990169"	162.103476	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+2ACN+2H"	84.067652
"1587957"	325.107928	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+K+HCOOH"	84.968628
"1424081"	355.139438	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+H+CF3COOH"	115.000138
"1157649"	182.616751	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+3ACN+2H"	125.094202
"1703920"	372.165985	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+NH4+CF3COOH"	132.026685
"1636291"	377.12138	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+Na+CF3COOH"	136.98208
"1571696"	393.09532	"C11716"	"Mirasan"	"C13H21ClN2"	"240.1393"	"M+K+CF3COOH"	152.95602
"811055"	456.2406	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M"	0
"986411"	437.22221	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-H2O-H"	-19.01839
"67362"	303.153124	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M-3H"	-3.021828
"511297"	455.233324	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M-3H"	-3.021828
"894937"	151.072924	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-3H"	-3.021828
"14483"	455.233324	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M-2H"	-2.014552
"454894"	683.353624	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M-2H"	-2.014552
"827953"	227.113024	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-2H"	-2.014552
"90130"	911.473924	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M-H"	-1.007276
"532973"	1367.714524	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M-H"	-1.007276
"896923"	455.233324	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-H"	-1.007276
"47528"	928.500471	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M-2H+NH4"	16.019271
"491955"	1384.741071	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M-2H+NH4"	16.019271
"865384"	472.259871	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-2H+NH4"	16.019271
"44222"	933.455866	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M-2H+Na"	20.974666
"481595"	1389.696466	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M-2H+Na"	20.974666
"857209"	477.215266	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-2H+Na"	20.974666
"1622367"	477.215266	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Na-2H"	20.974666
"101085"	473.221663	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M-H+Cl"	33.962126
"548308"	701.341963	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M-H+Cl"	33.962126
"940729"	245.101363	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-H+Cl"	33.962126
"280379"	947.450602	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+Cl"	34.969402
"668427"	1403.691202	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+Cl"	34.969402
"1280830"	491.210002	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Cl"	34.969402
"22291"	949.429806	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M-2H+K"	36.948606
"462943"	1405.670406	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M-2H+K"	36.948606
"840745"	493.189206	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-2H+K"	36.948606
"1558769"	493.189206	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+K-2H"	36.948606
"945561"	501.238794	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-H+HCOOH"	44.998194
"362559"	957.479401	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+HCOOH-H"	44.998201
"345993"	971.495051	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+Hac-H"	59.013851
"1492926"	515.254451	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Hac-H"	59.013851
"962940"	523.220751	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-H+NaCOOH"	66.980151
"110467"	491.210002	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+2Cl"	69.938804
"556880"	719.330302	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+2Cl"	69.938804
"1034066"	263.089702	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2Cl"	69.938804
"1252914"	535.159485	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Br"	78.918885
"1310988"	537.215472	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Cl+HCOOH"	80.974872
"1320462"	559.197429	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Cl+NaCOOH"	102.956829
"912006"	569.226186	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M-H+CF3COOH"	112.985586
"1289197"	605.202864	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Cl+CF3COOH"	148.962264
"1370035"	421.227924	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H-2H2O"	-35.012676
"1383318"	439.2379	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H-H2O"	-17.0027
"286125"	913.488476	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+H"	1.007276
"677453"	1369.729076	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+H"	1.007276
"1351737"	457.247876	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H"	1.007276
"129244"	457.247876	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+2H"	2.014552
"566980"	685.368176	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+2H"	2.014552
"1040522"	229.127576	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2H"	2.014552
"208420"	305.167676	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+3H"	3.021828
"645303"	457.247876	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+3H"	3.021828
"1163554"	153.087476	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+3H"	3.021828
"425739"	930.515023	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+NH4"	18.033823
"787826"	1386.755623	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+NH4"	18.033823
"1685615"	474.274423	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+NH4"	18.033823
"336080"	465.7611495	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+H+NH4"	19.041099
"728501"	693.8814495	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+H+NH4"	19.041099
"1485601"	237.6408495	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H+NH4"	19.041099
"404280"	935.470418	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+Na"	22.989218
"763088"	1391.711018	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+Na"	22.989218
"1607904"	479.229818	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Na"	22.989218
"316852"	468.238847	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+H+Na"	23.996494
"711822"	696.359147	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+H+Na"	23.996494
"1462724"	240.118547	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H+Na"	23.996494
"1056337"	160.41479	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2H+Na"	25.00377
"1264588"	489.274086	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+CH3OH+H"	33.033486
"387537"	951.444358	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+K"	38.963158
"752184"	1407.684958	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+K"	38.963158
"1552414"	495.203758	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+K"	38.963158
"306673"	476.225817	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+H+K"	39.970434
"704198"	704.346117	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+H+K"	39.970434
"1460206"	248.105517	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H+K"	39.970434
"245891"	954.515026	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+ACN+H"	42.033826
"1222975"	498.274426	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+ACN+H"	42.033826
"1209616"	249.640851	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+ACN+2H"	43.041102
"197544"	957.45236	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+2Na-H"	44.97116
"640019"	1413.69296	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+2Na-H"	44.97116
"1145712"	501.21176	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2Na-H"	44.97116
"181712"	479.229818	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+2Na"	45.978436
"622366"	707.350118	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+2Na"	45.978436
"1119314"	251.109518	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2Na"	45.978436
"1403933"	167.742104	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H+2Na"	46.985712
"1434225"	503.253346	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H+HCOOH"	47.012746
"223188"	484.26284	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+3H2O+2H"	56.04448
"1511612"	517.30539	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+IsoProp+H"	61.06479
"410207"	487.216788	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+Na+K"	61.952376
"771200"	715.337088	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+Na+K"	61.952376
"1666073"	259.096488	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Na+K"	61.952376
"252232"	976.496968	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+ACN+Na"	64.015768
"1228949"	520.256368	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+ACN+Na"	64.015768
"1715647"	520.279893	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+NH4+HCOOH"	64.039293
"1180272"	175.069418	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+3Na"	68.967654
"1651261"	525.235288	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Na+HCOOH"	68.994688
"157758"	989.40024	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+2K-H"	76.91904
"606075"	1445.64084	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+2K-H"	76.91904
"1085481"	533.15964	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2K-H"	76.91904
"145216"	495.203758	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"2M+2K"	77.926316
"589152"	723.324058	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"3M+2K"	77.926316
"1079498"	267.083458	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2K"	77.926316
"1101527"	535.174192	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2K+H"	78.933592
"1335964"	535.261807	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+DMSO+H"	79.021207
"1007413"	539.300976	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2ACN+H"	83.060376
"1525661"	540.294608	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+IsoProp+Na+H"	84.054008
"991134"	270.154126	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+2ACN+2H"	84.067652
"1588678"	541.209228	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+K+HCOOH"	84.968628
"1423095"	571.240738	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+H+CF3COOH"	115.000138
"1158853"	290.667401	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+3ACN+2H"	125.094202
"1705123"	588.267285	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+NH4+CF3COOH"	132.026685
"1636401"	593.22268	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+Na+CF3COOH"	136.98208
"1571685"	609.19662	"C11717"	"D1927"	"C21H36N4O5S"	"456.2406"	"M+K+CF3COOH"	152.95602
"813352"	358.0543	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M"	0
"984698"	339.03591	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-H2O-H"	-19.01839
"67472"	237.695590666667	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M-3H"	-3.021828
"511407"	357.047024	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M-3H"	-3.021828
"891402"	118.344157333333	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-3H"	-3.021828
"14716"	357.047024	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M-2H"	-2.014552
"455007"	536.074174	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M-2H"	-2.014552
"822960"	178.019874	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-2H"	-2.014552
"81860"	715.101324	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M-H"	-1.007276
"527980"	1073.155624	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M-H"	-1.007276
"899220"	357.047024	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-H"	-1.007276
"52499"	732.127871	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M-2H+NH4"	16.019271
"492065"	1090.182171	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M-2H+NH4"	16.019271
"871687"	374.073571	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-2H+NH4"	16.019271
"44211"	737.083266	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M-2H+Na"	20.974666
"478423"	1095.137566	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M-2H+Na"	20.974666
"852578"	379.028966	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-2H+Na"	20.974666
"1624663"	379.028966	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Na-2H"	20.974666
"100102"	375.035363	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M-H+Cl"	33.962126
"548419"	554.062513	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M-H+Cl"	33.962126
"938652"	196.008213	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-H+Cl"	33.962126
"279394"	751.078002	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+Cl"	34.969402
"668537"	1109.132302	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+Cl"	34.969402
"1280940"	393.023702	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Cl"	34.969402
"22401"	753.057206	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M-2H+K"	36.948606
"463053"	1111.111506	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M-2H+K"	36.948606
"837575"	395.002906	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-2H+K"	36.948606
"1558150"	395.002906	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+K-2H"	36.948606
"944212"	403.052494	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-H+HCOOH"	44.998194
"364979"	761.106801	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+HCOOH-H"	44.998201
"346670"	775.122451	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+Hac-H"	59.013851
"1493314"	417.068151	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Hac-H"	59.013851
"958916"	425.034451	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-H+NaCOOH"	66.980151
"110326"	393.023702	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+2Cl"	69.938804
"556990"	572.050852	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+2Cl"	69.938804
"1034176"	213.996552	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2Cl"	69.938804
"1253024"	436.973185	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Br"	78.918885
"1310005"	439.029172	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Cl+HCOOH"	80.974872
"1320939"	461.011129	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Cl+NaCOOH"	102.956829
"912360"	471.039886	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M-H+CF3COOH"	112.985586
"1289307"	507.016564	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Cl+CF3COOH"	148.962264
"1372331"	323.041624	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H-2H2O"	-35.012676
"1386547"	341.0516	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H-H2O"	-17.0027
"286235"	717.115876	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+H"	1.007276
"683030"	1075.170176	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+H"	1.007276
"1353912"	359.061576	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H"	1.007276
"130083"	359.061576	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+2H"	2.014552
"570735"	538.088726	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+2H"	2.014552
"1040996"	180.034426	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2H"	2.014552
"208531"	239.710142666667	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+3H"	3.021828
"646262"	359.061576	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+3H"	3.021828
"1163418"	120.358709333333	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+3H"	3.021828
"425717"	734.142423	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+NH4"	18.033823
"787936"	1092.196723	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+NH4"	18.033823
"1687911"	376.088123	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+NH4"	18.033823
"338375"	367.5748495	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+H+NH4"	19.041099
"728610"	546.6019995	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+H+NH4"	19.041099
"1487897"	188.5476995	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H+NH4"	19.041099
"402203"	739.097818	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+Na"	22.989218
"766477"	1097.152118	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+Na"	22.989218
"1608014"	381.043518	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Na"	22.989218
"315867"	370.052547	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+H+Na"	23.996494
"711568"	549.079697	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+H+Na"	23.996494
"1462713"	191.025397	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H+Na"	23.996494
"1055354"	127.686023333333	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2H+Na"	25.00377
"1264698"	391.087786	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+CH3OH+H"	33.033486
"387647"	755.071758	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+K"	38.963158
"751564"	1113.126058	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+K"	38.963158
"1549605"	397.017458	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+K"	38.963158
"309699"	378.039517	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+H+K"	39.970434
"703944"	557.066667	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+H+K"	39.970434
"1458495"	199.012367	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H+K"	39.970434
"247094"	758.142426	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+ACN+H"	42.033826
"1220898"	400.088126	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+ACN+H"	42.033826
"1208796"	200.547701	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+ACN+2H"	43.041102
"199840"	761.07976	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+2Na-H"	44.97116
"640129"	1119.13406	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+2Na-H"	44.97116
"1138531"	403.02546	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2Na-H"	44.97116
"182917"	381.043518	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+2Na"	45.978436
"621747"	560.070668	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+2Na"	45.978436
"1123797"	202.016368	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2Na"	45.978436
"1402219"	135.013337333333	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H+2Na"	46.985712
"1437247"	405.067046	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H+HCOOH"	47.012746
"224027"	386.07654	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+3H2O+2H"	56.04448
"1513909"	419.11909	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+IsoProp+H"	61.06479
"412502"	389.030488	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+Na+K"	61.952376
"772768"	568.057638	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+Na+K"	61.952376
"1669097"	210.003338	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Na+K"	61.952376
"253436"	780.124368	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+ACN+Na"	64.015768
"1227967"	422.070068	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+ACN+Na"	64.015768
"1714298"	422.093593	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+NH4+HCOOH"	64.039293
"1180017"	142.340651333333	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+3Na"	68.967654
"1650518"	427.048988	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Na+HCOOH"	68.994688
"157747"	793.02764	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+2K-H"	76.91904
"605092"	1151.08194	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+2K-H"	76.91904
"1085349"	434.97334	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2K-H"	76.91904
"143260"	397.017458	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"2M+2K"	77.926316
"588534"	576.044608	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"3M+2K"	77.926316
"1079972"	217.990308	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2K"	77.926316
"1102365"	436.987892	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2K+H"	78.933592
"1336685"	437.075507	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+DMSO+H"	79.021207
"1007523"	441.114676	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2ACN+H"	83.060376
"1526742"	442.108308	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+IsoProp+Na+H"	84.054008
"990511"	221.060976	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+2ACN+2H"	84.067652
"1589882"	443.022928	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+K+HCOOH"	84.968628
"1423205"	473.054438	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+H+CF3COOH"	115.000138
"1158963"	241.574251	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+3ACN+2H"	125.094202
"1705233"	490.080985	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+NH4+CF3COOH"	132.026685
"1643072"	495.03638	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+Na+CF3COOH"	136.98208
"1572161"	511.01032	"C11718"	"L791456;Etoricoxib"	"C18H15ClN2O2S"	"358.0543"	"M+K+CF3COOH"	152.95602
"807997"	344.0386	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M"	0
"982622"	325.02021	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-H2O-H"	-19.01839
"67585"	228.351790666667	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M-3H"	-3.021828
"510424"	343.031324	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M-3H"	-3.021828
"894305"	113.672257333333	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-3H"	-3.021828
"15186"	343.031324	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M-2H"	-2.014552
"454753"	515.050624	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M-2H"	-2.014552
"825257"	171.012024	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-2H"	-2.014552
"85250"	687.069924	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M-H"	-1.007276
"526997"	1031.108524	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M-H"	-1.007276
"899330"	343.031324	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-H"	-1.007276
"53704"	704.096471	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M-2H+NH4"	16.019271
"492171"	1048.135071	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M-2H+NH4"	16.019271
"872161"	360.057871	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-2H+NH4"	16.019271
"37880"	709.051866	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M-2H+Na"	20.974666
"476346"	1053.090466	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M-2H+Na"	20.974666
"852324"	365.013266	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-2H+Na"	20.974666
"1626959"	365.013266	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Na-2H"	20.974666
"100210"	361.019663	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M-H+Cl"	33.962126
"545246"	533.038963	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M-H+Cl"	33.962126
"937669"	189.000363	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-H+Cl"	33.962126
"278411"	723.046602	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+Cl"	34.969402
"668647"	1067.085202	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+Cl"	34.969402
"1281050"	379.008002	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Cl"	34.969402
"22511"	725.025806	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M-2H+K"	36.948606
"457696"	1069.064406	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M-2H+K"	36.948606
"833431"	380.987206	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-2H+K"	36.948606
"1557896"	380.987206	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+K-2H"	36.948606
"943715"	389.036794	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-H+HCOOH"	44.998194
"365089"	733.075401	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+HCOOH-H"	44.998201
"345887"	747.091051	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+Hac-H"	59.013851
"1493466"	403.052451	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Hac-H"	59.013851
"959383"	411.018751	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-H+NaCOOH"	66.980151
"110842"	379.008002	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+2Cl"	69.938804
"557100"	551.027302	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+2Cl"	69.938804
"1035379"	206.988702	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2Cl"	69.938804
"1253134"	422.957485	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Br"	78.918885
"1310115"	425.013472	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Cl+HCOOH"	80.974872
"1323235"	446.995429	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Cl+NaCOOH"	102.956829
"912224"	457.024186	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M-H+CF3COOH"	112.985586
"1290265"	493.000864	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Cl+CF3COOH"	148.962264
"1369889"	309.025924	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H-2H2O"	-35.012676
"1386657"	327.0359	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H-H2O"	-17.0027
"285372"	689.084476	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+H"	1.007276
"683140"	1033.123076	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+H"	1.007276
"1352929"	345.045876	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H"	1.007276
"128367"	345.045876	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+2H"	2.014552
"571938"	517.065176	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+2H"	2.014552
"1039283"	173.026576	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2H"	2.014552
"208641"	230.366342666667	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+3H"	3.021828
"644914"	345.045876	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+3H"	3.021828
"1163162"	115.686809333333	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+3H"	3.021828
"425463"	706.111023	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+NH4"	18.033823
"787191"	1050.149623	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+NH4"	18.033823
"1685103"	362.072423	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+NH4"	18.033823
"333746"	353.5591495	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+H+NH4"	19.041099
"727624"	525.5784495	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+H+NH4"	19.041099
"1483633"	181.5398495	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H+NH4"	19.041099
"399032"	711.066418	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+Na"	22.989218
"760027"	1055.105018	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+Na"	22.989218
"1608124"	367.027818	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Na"	22.989218
"315976"	356.036847	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+H+Na"	23.996494
"710218"	528.056147	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+H+Na"	23.996494
"1462946"	184.017547	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H+Na"	23.996494
"1054368"	123.014123333333	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2H+Na"	25.00377
"1264808"	377.072086	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+CH3OH+H"	33.033486
"387029"	727.040358	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+K"	38.963158
"749850"	1071.078958	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+K"	38.963158
"1551903"	383.001758	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+K"	38.963158
"311633"	364.023817	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+H+K"	39.970434
"705513"	536.043117	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+H+K"	39.970434
"1458241"	192.004517	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H+K"	39.970434
"246842"	730.111026	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+ACN+H"	42.033826
"1221008"	386.072426	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+ACN+H"	42.033826
"1207080"	193.539851	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+ACN+2H"	43.041102
"201774"	733.04836	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+2Na-H"	44.97116
"639875"	1077.08696	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+2Na-H"	44.97116
"1138641"	389.00976	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2Na-H"	44.97116
"185579"	367.027818	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+2Na"	45.978436
"623680"	539.047118	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+2Na"	45.978436
"1124999"	195.008518	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2Na"	45.978436
"1406334"	130.341437333333	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H+2Na"	46.985712
"1435172"	391.051346	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H+HCOOH"	47.012746
"225958"	372.06084	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+3H2O+2H"	56.04448
"1513292"	405.10339	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+IsoProp+H"	61.06479
"412248"	375.014788	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+Na+K"	61.952376
"775794"	547.034088	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+Na+K"	61.952376
"1667747"	202.995488	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Na+K"	61.952376
"254275"	752.092968	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+ACN+Na"	64.015768
"1228077"	408.054368	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+ACN+Na"	64.015768
"1714411"	408.077893	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+NH4+HCOOH"	64.039293
"1180493"	137.668751333333	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+3Na"	68.967654
"1652572"	413.033288	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Na+HCOOH"	68.994688
"157978"	764.99624	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+2K-H"	76.91904
"604838"	1109.03484	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+2K-H"	76.91904
"1085459"	420.95764	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2K-H"	76.91904
"143249"	383.001758	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"2M+2K"	77.926316
"588644"	555.021058	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"3M+2K"	77.926316
"1079718"	210.982458	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2K"	77.926316
"1100773"	422.972192	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2K+H"	78.933592
"1342386"	423.059807	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+DMSO+H"	79.021207
"1007998"	427.098976	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2ACN+H"	83.060376
"1529039"	428.092608	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+IsoProp+Na+H"	84.054008
"990745"	214.053126	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+2ACN+2H"	84.067652
"1591085"	429.007228	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+K+HCOOH"	84.968628
"1423315"	459.038738	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+H+CF3COOH"	115.000138
"1156885"	234.566401	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+3ACN+2H"	125.094202
"1707530"	476.065285	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+NH4+CF3COOH"	132.026685
"1639900"	481.02068	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+Na+CF3COOH"	136.98208
"1572271"	496.99462	"C11719"	"L787257"	"C17H13ClN2O2S"	"344.0386"	"M+K+CF3COOH"	152.95602
"811385"	348.1685	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M"	0
"981639"	329.15011	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-H2O-H"	-19.01839
"67695"	231.105057333333	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M-3H"	-3.021828
"508347"	347.161224	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M-3H"	-3.021828
"894778"	115.048890666667	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-3H"	-3.021828
"15639"	347.161224	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M-2H"	-2.014552
"455658"	521.245474	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M-2H"	-2.014552
"825367"	173.076974	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-2H"	-2.014552
"89734"	695.329724	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M-H"	-1.007276
"529294"	1043.498224	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M-H"	-1.007276
"897251"	347.161224	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-H"	-1.007276
"50535"	712.356271	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M-2H+NH4"	16.019271
"490216"	1060.524771	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M-2H+NH4"	16.019271
"866925"	364.187771	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-2H+NH4"	16.019271
"35801"	717.311666	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M-2H+Na"	20.974666
"476456"	1065.480166	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M-2H+Na"	20.974666
"852433"	369.143166	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-2H+Na"	20.974666
"1623786"	369.143166	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Na-2H"	20.974666
"99227"	365.149563	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M-H+Cl"	33.962126
"544262"	539.233813	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M-H+Cl"	33.962126
"939965"	191.065313	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-H+Cl"	33.962126
"277428"	731.306402	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+Cl"	34.969402
"668757"	1079.474902	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+Cl"	34.969402
"1278973"	383.137902	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Cl"	34.969402
"22621"	733.285606	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M-2H+K"	36.948606
"463273"	1081.454106	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M-2H+K"	36.948606
"837794"	385.117106	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-2H+K"	36.948606
"1556909"	385.117106	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+K-2H"	36.948606
"944068"	393.166694	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-H+HCOOH"	44.998194
"361592"	741.335201	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+HCOOH-H"	44.998201
"346891"	755.350851	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+Hac-H"	59.013851
"1494629"	407.182351	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Hac-H"	59.013851
"959979"	415.148651	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-H+NaCOOH"	66.980151
"110590"	383.137902	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+2Cl"	69.938804
"557210"	557.222152	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+2Cl"	69.938804
"1029292"	209.053652	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2Cl"	69.938804
"1243764"	427.087385	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Br"	78.918885
"1309128"	429.143372	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Cl+HCOOH"	80.974872
"1325532"	451.125329	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Cl+NaCOOH"	102.956829
"912089"	461.154086	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M-H+CF3COOH"	112.985586
"1289278"	497.130764	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Cl+CF3COOH"	148.962264
"1367811"	313.155824	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H-2H2O"	-35.012676
"1386766"	331.1658	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H-H2O"	-17.0027
"283537"	697.344276	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+H"	1.007276
"676687"	1045.512776	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+H"	1.007276
"1353034"	349.175776	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H"	1.007276
"127017"	349.175776	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+2H"	2.014552
"572049"	523.260026	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+2H"	2.014552
"1039390"	175.091526	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2H"	2.014552
"207656"	233.119609333333	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+3H"	3.021828
"645025"	349.175776	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+3H"	3.021828
"1163149"	117.063442666667	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+3H"	3.021828
"425208"	714.370823	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+NH4"	18.033823
"788518"	1062.539323	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+NH4"	18.033823
"1681807"	366.202323	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+NH4"	18.033823
"332395"	357.6890495	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+H+NH4"	19.041099
"724817"	531.7732995	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+H+NH4"	19.041099
"1480822"	183.6047995	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H+NH4"	19.041099
"396589"	719.326218	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+Na"	22.989218
"757218"	1067.494718	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+Na"	22.989218
"1611515"	371.157718	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Na"	22.989218
"316447"	360.166747	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+H+Na"	23.996494
"709963"	534.250997	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+H+Na"	23.996494
"1463419"	186.082497	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H+Na"	23.996494
"1054843"	124.390756666667	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2H+Na"	25.00377
"1268198"	381.201986	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+CH3OH+H"	33.033486
"385680"	735.300158	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+K"	38.963158
"752512"	1083.468658	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+K"	38.963158
"1553105"	387.131658	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+K"	38.963158
"312107"	368.153717	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+H+K"	39.970434
"705623"	542.237967	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+H+K"	39.970434
"1457255"	194.069467	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H+K"	39.970434
"247680"	738.370826	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+ACN+H"	42.033826
"1220753"	390.202326	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+ACN+H"	42.033826
"1206097"	195.604801	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+ACN+2H"	43.041102
"196777"	741.30816	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+2Na-H"	44.97116
"640714"	1089.47666	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+2Na-H"	44.97116
"1139844"	393.13966	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2Na-H"	44.97116
"184230"	371.157718	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+2Na"	45.978436
"622696"	545.241968	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+2Na"	45.978436
"1125108"	197.073468	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2Na"	45.978436
"1404258"	131.718070666667	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H+2Na"	46.985712
"1435645"	395.181246	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H+HCOOH"	47.012746
"224973"	376.19074	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+3H2O+2H"	56.04448
"1513765"	409.23329	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+IsoProp+H"	61.06479
"413086"	379.144688	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+Na+K"	61.952376
"772623"	553.228938	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+Na+K"	61.952376
"1666156"	205.060438	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Na+K"	61.952376
"254747"	760.352768	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+ACN+Na"	64.015768
"1226361"	412.184268	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+ACN+Na"	64.015768
"1713420"	412.207793	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+NH4+HCOOH"	64.039293
"1179503"	139.045384666667	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+3Na"	68.967654
"1651831"	417.163188	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Na+HCOOH"	68.994688
"159544"	773.25604	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+2K-H"	76.91904
"604216"	1121.42454	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+2K-H"	76.91904
"1085200"	425.08754	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2K-H"	76.91904
"143480"	387.131658	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"2M+2K"	77.926316
"589118"	561.215908	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"3M+2K"	77.926316
"1073996"	213.047408	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2K"	77.926316
"1101736"	427.102092	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2K+H"	78.933592
"1342496"	427.189707	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+DMSO+H"	79.021207
"1006648"	431.228876	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2ACN+H"	83.060376
"1528054"	432.222508	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+IsoProp+Na+H"	84.054008
"991950"	216.118076	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+2ACN+2H"	84.067652
"1592286"	433.137128	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+K+HCOOH"	84.968628
"1423425"	463.168638	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+H+CF3COOH"	115.000138
"1156995"	236.631351	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+3ACN+2H"	125.094202
"1708733"	480.195185	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+NH4+CF3COOH"	132.026685
"1640010"	485.15058	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+Na+CF3COOH"	136.98208
"1572381"	501.12452	"C11720"	"Enalaprilate;Enalaprilat"	"C18H24N2O5"	"348.1685"	"M+K+CF3COOH"	152.95602
"808215"	399.2257	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M"	0
"985029"	380.20731	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-H2O-H"	-19.01839
"73272"	265.143190666667	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M-3H"	-3.021828
"511738"	398.218424	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M-3H"	-3.021828
"891730"	132.067957333333	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-3H"	-3.021828
"2650"	398.218424	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M-2H"	-2.014552
"446584"	597.831274	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M-2H"	-2.014552
"821107"	198.605574	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-2H"	-2.014552
"87658"	797.444124	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M-H"	-1.007276
"522844"	1196.669824	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M-H"	-1.007276
"897363"	398.218424	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-H"	-1.007276
"50644"	814.470671	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M-2H+NH4"	16.019271
"490203"	1213.696371	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M-2H+NH4"	16.019271
"866915"	415.244971	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-2H+NH4"	16.019271
"34089"	819.426066	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M-2H+Na"	20.974666
"476566"	1218.651766	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M-2H+Na"	20.974666
"853275"	420.200366	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-2H+Na"	20.974666
"1622078"	420.200366	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Na-2H"	20.974666
"97150"	416.206763	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M-H+Cl"	33.962126
"544372"	615.819613	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M-H+Cl"	33.962126
"936794"	216.593913	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-H+Cl"	33.962126
"277538"	833.420802	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+Cl"	34.969402
"668867"	1232.646502	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+Cl"	34.969402
"1275074"	434.195102	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Cl"	34.969402
"16412"	835.400006	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M-2H+K"	36.948606
"457190"	1234.625706	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M-2H+K"	36.948606
"837908"	436.174306	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-2H+K"	36.948606
"1556290"	436.174306	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+K-2H"	36.948606
"944178"	444.223894	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-H+HCOOH"	44.998194
"362391"	843.449601	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+HCOOH-H"	44.998201
"346391"	857.465251	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+Hac-H"	59.013851
"1493522"	458.239551	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Hac-H"	59.013851
"959000"	466.205851	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-H+NaCOOH"	66.980151
"110824"	434.195102	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+2Cl"	69.938804
"557320"	633.807952	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+2Cl"	69.938804
"1030495"	234.582252	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2Cl"	69.938804
"1242418"	478.144585	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Br"	78.918885
"1309238"	480.200572	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Cl+HCOOH"	80.974872
"1323455"	502.182529	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Cl+NaCOOH"	102.956829
"912322"	512.211286	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M-H+CF3COOH"	112.985586
"1289025"	548.187964	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Cl+CF3COOH"	148.962264
"1370473"	364.213024	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H-2H2O"	-35.012676
"1387970"	382.223	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H-H2O"	-17.0027
"283647"	799.458676	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+H"	1.007276
"676432"	1198.684376	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+H"	1.007276
"1352417"	400.232976	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H"	1.007276
"128222"	400.232976	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+2H"	2.014552
"574345"	599.845826	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+2H"	2.014552
"1039862"	200.620126	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2H"	2.014552
"207766"	267.157742666667	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+3H"	3.021828
"645141"	400.232976	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+3H"	3.021828
"1163869"	134.082509333333	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+3H"	3.021828
"425443"	816.485223	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+NH4"	18.033823
"787533"	1215.710923	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+NH4"	18.033823
"1682407"	417.259523	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+NH4"	18.033823
"332870"	408.7462495	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+H+NH4"	19.041099
"727114"	608.3590995	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+H+NH4"	19.041099
"1481299"	209.1333995	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H+NH4"	19.041099
"396699"	821.440618	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+Na"	22.989218
"757330"	1220.666318	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+Na"	22.989218
"1607254"	422.214918	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Na"	22.989218
"315466"	411.223947	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+H+Na"	23.996494
"709711"	610.836797	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+H+Na"	23.996494
"1462804"	211.611097	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H+Na"	23.996494
"1054590"	141.409823333333	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2H+Na"	25.00377
"1265028"	432.259186	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+CH3OH+H"	33.033486
"384697"	837.414558	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+K"	38.963158
"752257"	1236.640258	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+K"	38.963158
"1555040"	438.188858	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+K"	38.963158
"311486"	419.210917	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+H+K"	39.970434
"704640"	618.823767	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+H+K"	39.970434
"1457727"	219.598067	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H+K"	39.970434
"246330"	840.485226	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+ACN+H"	42.033826
"1221227"	441.259526	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+ACN+H"	42.033826
"1204019"	221.133401	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+ACN+2H"	43.041102
"196887"	843.42256	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+2Na-H"	44.97116
"641552"	1242.64826	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+2Na-H"	44.97116
"1139954"	444.19686	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2Na-H"	44.97116
"182152"	422.214918	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+2Na"	45.978436
"623899"	621.827768	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+2Na"	45.978436
"1123031"	222.602068	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2Na"	45.978436
"1404368"	148.737137333333	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H+2Na"	46.985712
"1434298"	446.238446	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H+HCOOH"	47.012746
"224719"	427.24794	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+3H2O+2H"	56.04448
"1511689"	460.29049	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+IsoProp+H"	61.06479
"413197"	430.201888	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+Na+K"	61.952376
"772369"	629.814738	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+Na+K"	61.952376
"1665782"	230.589038	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Na+K"	61.952376
"255221"	862.467168	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+ACN+Na"	64.015768
"1229387"	463.241468	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+ACN+Na"	64.015768
"1713411"	463.264993	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+NH4+HCOOH"	64.039293
"1179496"	156.064451333333	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+3Na"	68.967654
"1650238"	468.220388	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Na+HCOOH"	68.994688
"158925"	875.37044	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+2K-H"	76.91904
"599952"	1274.59614	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+2K-H"	76.91904
"1084700"	476.14474	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2K-H"	76.91904
"142495"	438.188858	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"2M+2K"	77.926316
"589592"	637.801708	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"3M+2K"	77.926316
"1077387"	238.576008	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2K"	77.926316
"1106223"	478.159292	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2K+H"	78.933592
"1336042"	478.246907	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+DMSO+H"	79.021207
"1006032"	482.286076	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2ACN+H"	83.060376
"1526101"	483.279708	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+IsoProp+Na+H"	84.054008
"990971"	241.646676	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+2ACN+2H"	84.067652
"1587040"	484.194328	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+K+HCOOH"	84.968628
"1419159"	514.225838	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+H+CF3COOH"	115.000138
"1151637"	262.159951	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+3ACN+2H"	125.094202
"1702282"	531.252385	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+NH4+CF3COOH"	132.026685
"1643401"	536.20778	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+Na+CF3COOH"	136.98208
"1572855"	552.18172	"C11721"	"Candoxatrilat"	"C20H33NO7"	"399.2257"	"M+K+CF3COOH"	152.95602
"808325"	236.1161	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M"	0
"981857"	217.09771	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-H2O-H"	-19.01839
"74475"	156.403457333333	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M-3H"	-3.021828
"508567"	235.108824	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M-3H"	-3.021828
"891840"	77.6980906666667	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-3H"	-3.021828
"6042"	235.108824	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M-2H"	-2.014552
"449973"	353.166874	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M-2H"	-2.014552
"821217"	117.050774	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-2H"	-2.014552
"92993"	471.224924	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M-H"	-1.007276
"525141"	707.341024	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M-H"	-1.007276
"900754"	235.108824	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-H"	-1.007276
"55128"	488.251471	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M-2H+NH4"	16.019271
"494690"	724.367571	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M-2H+NH4"	16.019271
"871403"	252.135371	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-2H+NH4"	16.019271
"43680"	493.206866	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M-2H+Na"	20.974666
"479958"	729.322966	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M-2H+Na"	20.974666
"855571"	257.090766	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-2H+Na"	20.974666
"1624011"	257.090766	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Na-2H"	20.974666
"97261"	253.097163	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M-H+Cl"	33.962126
"541202"	371.155213	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M-H+Cl"	33.962126
"940185"	135.039113	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-H+Cl"	33.962126
"278741"	507.201602	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+Cl"	34.969402
"672258"	743.317702	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+Cl"	34.969402
"1274820"	271.085502	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Cl"	34.969402
"16479"	509.180806	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M-2H+K"	36.948606
"458029"	745.296906	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M-2H+K"	36.948606
"836925"	273.064706	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-2H+K"	36.948606
"1556404"	273.064706	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+K-2H"	36.948606
"943313"	281.114294	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-H+HCOOH"	44.998194
"363231"	517.230401	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+HCOOH-H"	44.998201
"346505"	531.246051	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+Hac-H"	59.013851
"1493511"	295.129951	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Hac-H"	59.013851
"959029"	303.096251	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-H+NaCOOH"	66.980151
"111665"	271.085502	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+2Cl"	69.938804
"555243"	389.143552	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+2Cl"	69.938804
"1030605"	153.027452	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2Cl"	69.938804
"1241920"	315.034985	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Br"	78.918885
"1307162"	317.090972	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Cl+HCOOH"	80.974872
"1321377"	339.072929	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Cl+NaCOOH"	102.956829
"911778"	349.101686	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M-H+CF3COOH"	112.985586
"1289095"	385.078364	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Cl+CF3COOH"	148.962264
"1368397"	201.103424	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H-2H2O"	-35.012676
"1388081"	219.1134	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H-H2O"	-17.0027
"284122"	473.239476	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+H"	1.007276
"676542"	709.355576	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+H"	1.007276
"1352528"	237.123376	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H"	1.007276
"128335"	237.123376	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+2H"	2.014552
"575548"	355.181426	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+2H"	2.014552
"1044349"	119.065326	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2H"	2.014552
"209699"	158.418009333333	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+3H"	3.021828
"644522"	237.123376	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+3H"	3.021828
"1164102"	79.7126426666667	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+3H"	3.021828
"425189"	490.266023	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+NH4"	18.033823
"788007"	726.382123	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+NH4"	18.033823
"1683609"	254.149923	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+NH4"	18.033823
"332980"	245.6366495	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+H+NH4"	19.041099
"727589"	363.6946995	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+H+NH4"	19.041099
"1479951"	127.5785995	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H+NH4"	19.041099
"395716"	495.221418	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+Na"	22.989218
"757439"	731.337518	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+Na"	22.989218
"1606272"	259.105318	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Na"	22.989218
"317401"	248.114347	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+H+Na"	23.996494
"709454"	366.172397	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+H+Na"	23.996494
"1462551"	130.056297	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H+Na"	23.996494
"1055065"	87.0399566666667	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2H+Na"	25.00377
"1264045"	269.149586	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+CH3OH+H"	33.033486
"384807"	511.195358	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+K"	38.963158
"751274"	747.311458	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+K"	38.963158
"1554906"	275.079258	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+K"	38.963158
"310503"	256.101317	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+H+K"	39.970434
"706207"	374.159367	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+H+K"	39.970434
"1456744"	138.043267	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H+K"	39.970434
"240971"	514.266026	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+ACN+H"	42.033826
"1220609"	278.149926	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+ACN+H"	42.033826
"1204129"	139.578601	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+ACN+2H"	43.041102
"196997"	517.20336	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+2Na-H"	44.97116
"639840"	753.31946	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+2Na-H"	44.97116
"1140065"	281.08726	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2Na-H"	44.97116
"181170"	259.105318	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+2Na"	45.978436
"619635"	377.163368	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+2Na"	45.978436
"1120955"	141.047268	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2Na"	45.978436
"1402657"	94.3672706666667	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H+2Na"	46.985712
"1435502"	283.128846	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H+HCOOH"	47.012746
"223007"	264.13834	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+3H2O+2H"	56.04448
"1512163"	297.18089	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+IsoProp+H"	61.06479
"413306"	267.092288	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+Na+K"	61.952376
"772843"	385.150338	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+Na+K"	61.952376
"1666009"	149.034238	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Na+K"	61.952376
"254966"	536.247968	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+ACN+Na"	64.015768
"1230591"	300.131868	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+ACN+Na"	64.015768
"1713003"	300.155393	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+NH4+HCOOH"	64.039293
"1178910"	101.694584666667	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+3Na"	68.967654
"1650060"	305.110788	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Na+HCOOH"	68.994688
"159765"	549.15124	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+2K-H"	76.91904
"600062"	785.26734	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+2K-H"	76.91904
"1090042"	313.03514	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2K-H"	76.91904
"144672"	275.079258	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"2M+2K"	77.926316
"589702"	393.137308	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"3M+2K"	77.926316
"1077499"	157.021208	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2K"	77.926316
"1107426"	315.049692	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2K+H"	78.933592
"1338343"	315.137307	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+DMSO+H"	79.021207
"1006993"	319.176476	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2ACN+H"	83.060376
"1527186"	320.170108	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+IsoProp+Na+H"	84.054008
"992538"	160.091876	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+2ACN+2H"	84.067652
"1590687"	321.084728	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+K+HCOOH"	84.968628
"1422552"	351.116238	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+H+CF3COOH"	115.000138
"1148467"	180.605151	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+3ACN+2H"	125.094202
"1705673"	368.142785	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+NH4+CF3COOH"	132.026685
"1643511"	373.09818	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+Na+CF3COOH"	136.98208
"1572965"	389.07212	"C11723"	"Hexobarbitone;Hexobarbital"	"C12H16N2O3"	"236.1161"	"M+K+CF3COOH"	152.95602
"808435"	890.2822	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M"	0
"981967"	871.26381	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-H2O-H"	-19.01839
"65836"	592.514190666667	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M-3H"	-3.021828
"511957"	889.274924	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M-3H"	-3.021828
"889760"	295.753457333333	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-3H"	-3.021828
"3965"	889.274924	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M-2H"	-2.014552
"454337"	1334.416024	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M-2H"	-2.014552
"820597"	444.133824	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-2H"	-2.014552
"87879"	1779.557124	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M-H"	-1.007276
"523065"	2669.839324	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M-H"	-1.007276
"901957"	889.274924	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-H"	-1.007276
"52687"	1796.583671	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M-2H+NH4"	16.019271
"494799"	2686.865871	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M-2H+NH4"	16.019271
"871513"	906.301471	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-2H+NH4"	16.019271
"41239"	1801.539066	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M-2H+Na"	20.974666
"477881"	2691.821266	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M-2H+Na"	20.974666
"856773"	911.256866	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-2H+Na"	20.974666
"1625213"	911.256866	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Na-2H"	20.974666
"98465"	907.263263	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M-H+Cl"	33.962126
"536934"	1352.404363	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M-H+Cl"	33.962126
"928624"	462.122163	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-H+Cl"	33.962126
"272291"	1815.533802	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+Cl"	34.969402
"665808"	2705.816002	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+Cl"	34.969402
"1273349"	925.251602	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Cl"	34.969402
"16141"	1817.513006	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M-2H+K"	36.948606
"457046"	2707.795206	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M-2H+K"	36.948606
"835942"	927.230806	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-2H+K"	36.948606
"1556513"	927.230806	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+K-2H"	36.948606
"943301"	935.280394	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-H+HCOOH"	44.998194
"361996"	1825.562601	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+HCOOH-H"	44.998201
"346371"	1839.578251	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+Hac-H"	59.013851
"1495325"	949.296051	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Hac-H"	59.013851
"959223"	957.262351	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-H+NaCOOH"	66.980151
"112868"	925.251602	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+2Cl"	69.938804
"562644"	1370.392702	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+2Cl"	69.938804
"1030715"	480.110502	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2Cl"	69.938804
"1241666"	969.201085	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Br"	78.918885
"1307637"	971.257072	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Cl+HCOOH"	80.974872
"1323675"	993.239029	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Cl+NaCOOH"	102.956829
"914002"	1003.267786	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M-H+CF3COOH"	112.985586
"1288570"	1039.244464	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Cl+CF3COOH"	148.962264
"1372880"	855.269524	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H-2H2O"	-35.012676
"1387098"	873.2795	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H-H2O"	-17.0027
"285691"	1781.571676	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+H"	1.007276
"680299"	2671.853876	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+H"	1.007276
"1356648"	891.289476	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H"	1.007276
"128077"	891.289476	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+2H"	2.014552
"571286"	1336.430576	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+2H"	2.014552
"1041908"	446.148376	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2H"	2.014552
"210903"	594.528742666667	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+3H"	3.021828
"646816"	891.289476	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+3H"	3.021828
"1167133"	297.768009333333	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+3H"	3.021828
"427488"	1798.598223	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+NH4"	18.033823
"788483"	2688.880423	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+NH4"	18.033823
"1688462"	908.316023	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+NH4"	18.033823
"336740"	899.8027495	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+H+NH4"	19.041099
"731348"	1344.9438495	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+H+NH4"	19.041099
"1482981"	454.6616495	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H+NH4"	19.041099
"398381"	1803.553618	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+Na"	22.989218
"760470"	2693.835818	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+Na"	22.989218
"1608569"	913.271418	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Na"	22.989218
"320792"	902.280447	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+H+Na"	23.996494
"709934"	1347.421547	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+H+Na"	23.996494
"1463876"	457.139347	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H+Na"	23.996494
"1055908"	305.095323333333	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2H+Na"	25.00377
"1264155"	923.315686	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+CH3OH+H"	33.033486
"384917"	1819.527558	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+K"	38.963158
"750656"	2709.809758	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+K"	38.963158
"1550155"	929.245358	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+K"	38.963158
"307333"	910.267417	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+H+K"	39.970434
"701577"	1355.408517	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+H+K"	39.970434
"1454667"	465.126317	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H+K"	39.970434
"236707"	1822.598226	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+ACN+H"	42.033826
"1215979"	932.316026	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+ACN+H"	42.033826
"1208495"	466.661651	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+ACN+2H"	43.041102
"194921"	1825.53556	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+2Na-H"	44.97116
"639222"	2715.81776	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+2Na-H"	44.97116
"1140175"	935.25336	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2Na-H"	44.97116
"179094"	913.271418	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+2Na"	45.978436
"620840"	1358.412518	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+2Na"	45.978436
"1121066"	468.130318	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2Na"	45.978436
"1402403"	312.422637333333	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H+2Na"	46.985712
"1436703"	937.294946	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H+HCOOH"	47.012746
"224940"	918.30444	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+3H2O+2H"	56.04448
"1512637"	951.34699	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+IsoProp+H"	61.06479
"412323"	921.258388	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+Na+K"	61.952376
"771859"	1366.399488	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+Na+K"	61.952376
"1667462"	476.117288	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Na+K"	61.952376
"255441"	1844.580168	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+ACN+Na"	64.015768
"1229972"	954.297968	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+ACN+Na"	64.015768
"1713757"	954.321493	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+NH4+HCOOH"	64.039293
"1182026"	319.749951333333	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+3Na"	68.967654
"1653377"	959.276888	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Na+HCOOH"	68.994688
"159875"	1857.48344	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+2K-H"	76.91904
"600172"	2747.76564	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+2K-H"	76.91904
"1084353"	967.20124	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2K-H"	76.91904
"144782"	929.245358	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"2M+2K"	77.926316
"584344"	1374.386458	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"3M+2K"	77.926316
"1078700"	484.104258	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2K"	77.926316
"1102067"	969.215792	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2K+H"	78.933592
"1338453"	969.303407	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+DMSO+H"	79.021207
"1006251"	973.342576	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2ACN+H"	83.060376
"1527296"	974.336208	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+IsoProp+Na+H"	84.054008
"991554"	487.174926	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+2ACN+2H"	84.067652
"1588610"	975.250828	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+K+HCOOH"	84.968628
"1423755"	1005.282338	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+H+CF3COOH"	115.000138
"1151857"	507.688201	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+3ACN+2H"	125.094202
"1699223"	1022.308885	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+NH4+CF3COOH"	132.026685
"1634629"	1027.26428	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+Na+CF3COOH"	136.98208
"1573075"	1043.23822	"C11724"	"Cycloguanil pamoate"	"C23H16O6(C11H14ClN5)2"	"890.2822"	"M+K+CF3COOH"	152.95602
"808545"	430.1772	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M"	0
"982077"	411.15881	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-H2O-H"	-19.01839
"65946"	285.777524	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M-3H"	-3.021828
"509880"	429.169924	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M-3H"	-3.021828
"889870"	142.385124	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-3H"	-3.021828
"7355"	429.169924	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M-2H"	-2.014552
"453475"	644.258524	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M-2H"	-2.014552
"826904"	214.081324	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-2H"	-2.014552
"85803"	859.347124	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M-H"	-1.007276
"527550"	1289.524324	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M-H"	-1.007276
"903160"	429.169924	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-H"	-1.007276
"54619"	876.373671	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M-2H+NH4"	16.019271
"495272"	1306.550871	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M-2H+NH4"	16.019271
"869436"	446.196471	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-2H+NH4"	16.019271
"38432"	881.329066	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M-2H+Na"	20.974666
"477992"	1311.506266	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M-2H+Na"	20.974666
"853970"	451.151866	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-2H+Na"	20.974666
"1628607"	451.151866	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Na-2H"	20.974666
"96388"	447.158263	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M-H+Cl"	33.962126
"535947"	662.246863	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M-H+Cl"	33.962126
"928368"	232.069663	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-H+Cl"	33.962126
"269477"	895.323802	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+Cl"	34.969402
"660323"	1325.501002	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+Cl"	34.969402
"1272939"	465.146602	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Cl"	34.969402
"17596"	897.303006	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M-2H+K"	36.948606
"458250"	1327.480206	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M-2H+K"	36.948606
"838238"	467.125806	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-2H+K"	36.948606
"1555931"	467.125806	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+K-2H"	36.948606
"943166"	475.175394	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-H+HCOOH"	44.998194
"361655"	905.352601	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+HCOOH-H"	44.998201
"346725"	919.368251	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+Hac-H"	59.013851
"1497259"	489.191051	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Hac-H"	59.013851
"960062"	497.157351	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-H+NaCOOH"	66.980151
"110796"	465.146602	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+2Cl"	69.938804
"563118"	680.235202	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+2Cl"	69.938804
"1033012"	250.058002	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2Cl"	69.938804
"1242869"	509.096085	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Br"	78.918885
"1308476"	511.152072	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Cl+HCOOH"	80.974872
"1322692"	533.134029	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Cl+NaCOOH"	102.956829
"912655"	543.162786	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M-H+CF3COOH"	112.985586
"1288629"	579.139464	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Cl+CF3COOH"	148.962264
"1372991"	395.164524	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H-2H2O"	-35.012676
"1388302"	413.1745	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H-H2O"	-17.0027
"286894"	861.361676	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+H"	1.007276
"681503"	1291.538876	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+H"	1.007276
"1357852"	431.184476	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H"	1.007276
"127461"	431.184476	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+2H"	2.014552
"570303"	646.273076	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+2H"	2.014552
"1048945"	216.095876	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2H"	2.014552
"217939"	287.792076	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+3H"	3.021828
"645105"	431.184476	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+3H"	3.021828
"1167607"	144.399676	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+3H"	3.021828
"430150"	878.388223	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+NH4"	18.033823
"789688"	1308.565423	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+NH4"	18.033823
"1691852"	448.211023	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+NH4"	18.033823
"336850"	439.6977495	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+H+NH4"	19.041099
"727812"	654.7863495	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+H+NH4"	19.041099
"1483091"	224.6091495	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H+NH4"	19.041099
"398491"	883.343618	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+Na"	22.989218
"759487"	1313.520818	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+Na"	22.989218
"1606492"	453.166418	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Na"	22.989218
"321995"	442.175447	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+H+Na"	23.996494
"710044"	657.264047	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+H+Na"	23.996494
"1463864"	227.086847	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H+Na"	23.996494
"1054925"	151.72699	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2H+Na"	25.00377
"1264265"	463.210686	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+CH3OH+H"	33.033486
"382840"	899.317558	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+K"	38.963158
"747116"	1329.494758	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+K"	38.963158
"1549172"	469.140358	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+K"	38.963158
"307443"	450.162417	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+H+K"	39.970434
"702051"	665.251017	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+H+K"	39.970434
"1454777"	235.073817	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H+K"	39.970434
"238274"	902.388226	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+ACN+H"	42.033826
"1217182"	472.211026	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+ACN+H"	42.033826
"1209090"	236.609151	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+ACN+2H"	43.041102
"197217"	905.32556	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+2Na-H"	44.97116
"640060"	1335.50276	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+2Na-H"	44.97116
"1140285"	475.14836	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2Na-H"	44.97116
"181391"	453.166418	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+2Na"	45.978436
"618764"	668.255018	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+2Na"	45.978436
"1120083"	238.077818	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2Na"	45.978436
"1402512"	159.054304	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H+2Na"	46.985712
"1435354"	477.189946	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H+HCOOH"	47.012746
"223956"	458.19944	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+3H2O+2H"	56.04448
"1510558"	491.24199	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+IsoProp+H"	61.06479
"410974"	461.153388	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+Na+K"	61.952376
"771239"	676.241988	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+Na+K"	61.952376
"1669028"	246.064788	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Na+K"	61.952376
"254458"	924.370168	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+ACN+Na"	64.015768
"1226073"	494.192968	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+ACN+Na"	64.015768
"1713012"	494.216493	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+NH4+HCOOH"	64.039293
"1180679"	166.381618	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+3Na"	68.967654
"1652395"	499.171888	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Na+HCOOH"	68.994688
"159255"	937.27344	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+2K-H"	76.91904
"605752"	1367.45064	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+2K-H"	76.91904
"1086982"	507.09624	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2K-H"	76.91904
"145985"	469.140358	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"2M+2K"	77.926316
"584454"	684.228958	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"3M+2K"	77.926316
"1075530"	254.051758	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2K"	77.926316
"1103270"	509.110792	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2K+H"	78.933592
"1336371"	509.198407	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+DMSO+H"	79.021207
"1007092"	513.237576	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2ACN+H"	83.060376
"1527406"	514.231208	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+IsoProp+Na+H"	84.054008
"991055"	257.122426	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+2ACN+2H"	84.067652
"1587502"	515.145828	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+K+HCOOH"	84.968628
"1416213"	545.177338	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+H+CF3COOH"	115.000138
"1151968"	277.635701	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+3ACN+2H"	125.094202
"1699333"	562.203885	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+NH4+CF3COOH"	132.026685
"1640451"	567.15928	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+Na+CF3COOH"	136.98208
"1572456"	583.13322	"C11725"	"Avizafone;LDZ"	"C22H27ClN4O3"	"430.1772"	"M+K+CF3COOH"	152.95602
"811935"	560.242	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M"	0
"982187"	541.22361	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-H2O-H"	-19.01839
"68243"	372.487390666667	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M-3H"	-3.021828
"512177"	559.234724	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M-3H"	-3.021828
"892166"	185.740057333333	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-3H"	-3.021828
"14026"	559.234724	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M-2H"	-2.014552
"444839"	839.355724	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M-2H"	-2.014552
"823735"	279.113724	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-2H"	-2.014552
"85913"	1119.476724	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M-H"	-1.007276
"530940"	1679.718724	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M-H"	-1.007276
"902178"	559.234724	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-H"	-1.007276
"54366"	1136.503271	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M-2H+NH4"	16.019271
"493928"	1696.745271	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M-2H+NH4"	16.019271
"869547"	576.261271	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-2H+NH4"	16.019271
"38542"	1141.458666	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M-2H+Na"	20.974666
"479195"	1701.700666	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M-2H+Na"	20.974666
"855902"	581.216666	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-2H+Na"	20.974666
"1627624"	581.216666	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Na-2H"	20.974666
"97591"	577.223063	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M-H+Cl"	33.962126
"536423"	857.344063	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M-H+Cl"	33.962126
"928846"	297.102063	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-H+Cl"	33.962126
"268495"	1155.453402	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+Cl"	34.969402
"661526"	1715.695402	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+Cl"	34.969402
"1273565"	595.211402	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Cl"	34.969402
"17706"	1157.432606	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M-2H+K"	36.948606
"458360"	1717.674606	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M-2H+K"	36.948606
"838348"	597.190606	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-2H+K"	36.948606
"1557095"	597.190606	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+K-2H"	36.948606
"944370"	605.240194	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-H+HCOOH"	44.998194
"362462"	1165.482201	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+HCOOH-H"	44.998201
"349265"	1179.497851	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+Hac-H"	59.013851
"1501743"	619.255851	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Hac-H"	59.013851
"963087"	627.222151	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-H+NaCOOH"	66.980151
"113820"	595.211402	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+2Cl"	69.938804
"563228"	875.332402	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+2Cl"	69.938804
"1032029"	315.090402	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2Cl"	69.938804
"1243586"	639.160885	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Br"	78.918885
"1307493"	641.216872	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Cl+HCOOH"	80.974872
"1322073"	663.198829	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Cl+NaCOOH"	102.956829
"913858"	673.227586	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M-H+CF3COOH"	112.985586
"1289836"	709.204264	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Cl+CF3COOH"	148.962264
"1374194"	525.229324	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H-2H2O"	-35.012676
"1388411"	543.2393	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H-H2O"	-17.0027
"291377"	1121.491276	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+H"	1.007276
"681613"	1681.733276	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+H"	1.007276
"1363429"	561.249276	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H"	1.007276
"130122"	561.249276	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+2H"	2.014552
"575881"	841.370276	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+2H"	2.014552
"1042129"	281.128276	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2H"	2.014552
"206385"	374.501942666667	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+3H"	3.021828
"648499"	561.249276	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+3H"	3.021828
"1165894"	187.754609333333	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+3H"	3.021828
"424910"	1138.517823	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+NH4"	18.033823
"788704"	1698.759823	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+NH4"	18.033823
"1684671"	578.275823	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+NH4"	18.033823
"332220"	569.7625495	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+H+NH4"	19.041099
"723666"	849.8835495	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+H+NH4"	19.041099
"1478215"	289.6415495	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H+NH4"	19.041099
"393616"	1143.473218	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+Na"	22.989218
"759597"	1703.715218	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+Na"	22.989218
"1607696"	583.231218	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Na"	22.989218
"314483"	572.240247	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+H+Na"	23.996494
"707356"	852.361247	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+H+Na"	23.996494
"1462398"	292.119247	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H+Na"	23.996494
"1054670"	195.081923333333	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2H+Na"	25.00377
"1262187"	593.275486	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+CH3OH+H"	33.033486
"385137"	1159.447158	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+K"	38.963158
"749413"	1719.689158	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+K"	38.963158
"1549282"	599.205158	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+K"	38.963158
"307553"	580.227217	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+H+K"	39.970434
"702161"	860.348217	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+H+K"	39.970434
"1454887"	300.106217	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H+K"	39.970434
"241299"	1162.517826	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+ACN+H"	42.033826
"1216196"	602.275826	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+ACN+H"	42.033826
"1207739"	301.641551	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+ACN+2H"	43.041102
"195141"	1165.45516	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+2Na-H"	44.97116
"637983"	1725.69716	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+2Na-H"	44.97116
"1139301"	605.21316	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2Na-H"	44.97116
"182594"	583.231218	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+2Na"	45.978436
"618874"	863.352218	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+2Na"	45.978436
"1119100"	303.110218	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2Na"	45.978436
"1401529"	202.409237333333	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H+2Na"	46.985712
"1434007"	607.254746	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H+HCOOH"	47.012746
"224795"	588.26424	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+3H2O+2H"	56.04448
"1510670"	621.30679	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+IsoProp+H"	61.06479
"411449"	591.218188	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+Na+K"	61.952376
"772442"	871.339188	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+Na+K"	61.952376
"1668774"	311.097188	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Na+K"	61.952376
"254568"	1184.499768	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+ACN+Na"	64.015768
"1226546"	624.257768	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+ACN+Na"	64.015768
"1713119"	624.281293	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+NH4+HCOOH"	64.039293
"1180059"	209.736551333333	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+3Na"	68.967654
"1650550"	629.236688	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Na+HCOOH"	68.994688
"158147"	1197.40304	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+2K-H"	76.91904
"606955"	1757.64504	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+2K-H"	76.91904
"1087092"	637.16104	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2K-H"	76.91904
"141752"	599.205158	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"2M+2K"	77.926316
"583468"	879.326158	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"3M+2K"	77.926316
"1073453"	319.084158	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2K"	77.926316
"1100054"	639.175592	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2K+H"	78.933592
"1336845"	639.263207	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+DMSO+H"	79.021207
"1006347"	643.302376	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2ACN+H"	83.060376
"1527516"	644.296008	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+IsoProp+Na+H"	84.054008
"990555"	322.154826	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+2ACN+2H"	84.067652
"1587371"	645.210628	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+K+HCOOH"	84.968628
"1415594"	675.242138	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+H+CF3COOH"	115.000138
"1152078"	342.668101	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+3ACN+2H"	125.094202
"1699807"	692.268685	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+NH4+CF3COOH"	132.026685
"1640561"	697.22408	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+Na+CF3COOH"	136.98208
"1575118"	713.19802	"C11726"	"Chloramphenicol palmitate"	"C27H42Cl2N2O6"	"560.242"	"M+K+CF3COOH"	152.95602
"812045"	422.0284	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M"	0
"985578"	403.01001	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-H2O-H"	-19.01839
"77831"	280.344990666667	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M-3H"	-3.021828
"518081"	421.021124	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M-3H"	-3.021828
"895397"	139.668857333333	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-3H"	-3.021828
"14138"	421.021124	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M-2H"	-2.014552
"451510"	632.035324	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M-2H"	-2.014552
"823845"	210.006924	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-2H"	-2.014552
"89305"	843.049524	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M-H"	-1.007276
"532755"	1265.077924	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M-H"	-1.007276
"902289"	421.021124	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-H"	-1.007276
"54476"	860.076071	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M-2H+NH4"	16.019271
"494038"	1282.104471	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M-2H+NH4"	16.019271
"876218"	438.047671	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-2H+NH4"	16.019271
"43027"	865.031466	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M-2H+Na"	20.974666
"482586"	1287.059866	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M-2H+Na"	20.974666
"857107"	443.003066	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-2H+Na"	20.974666
"1627734"	443.003066	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Na-2H"	20.974666
"100984"	439.009463	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M-H+Cl"	33.962126
"539449"	650.023663	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M-H+Cl"	33.962126
"929685"	227.995263	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-H+Cl"	33.962126
"269212"	879.026202	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+Cl"	34.969402
"661754"	1301.054602	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+Cl"	34.969402
"1275010"	456.997802	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Cl"	34.969402
"18181"	881.005406	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M-2H+K"	36.948606
"458834"	1303.033806	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M-2H+K"	36.948606
"835542"	458.977006	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-2H+K"	36.948606
"1556719"	458.977006	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+K-2H"	36.948606
"946188"	467.026594	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-H+HCOOH"	44.998194
"363670"	889.055001	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+HCOOH-H"	44.998201
"349378"	903.070651	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+Hac-H"	59.013851
"1496386"	481.042251	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Hac-H"	59.013851
"961377"	489.008551	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-H+NaCOOH"	66.980151
"112472"	456.997802	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+2Cl"	69.938804
"555683"	668.012002	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+2Cl"	69.938804
"1033232"	245.983602	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2Cl"	69.938804
"1243332"	500.947285	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Br"	78.918885
"1307968"	503.003272	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Cl+HCOOH"	80.974872
"1321817"	524.985229	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Cl+NaCOOH"	102.956829
"913969"	535.013986	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M-H+CF3COOH"	112.985586
"1289945"	570.990664	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Cl+CF3COOH"	148.962264
"1374303"	387.015724	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H-2H2O"	-35.012676
"1388521"	405.0257	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H-H2O"	-17.0027
"288206"	845.064076	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+H"	1.007276
"682815"	1267.092476	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+H"	1.007276
"1362446"	423.035676	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H"	1.007276
"137523"	423.035676	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+2H"	2.014552
"577084"	634.049876	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+2H"	2.014552
"1040416"	212.021476	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2H"	2.014552
"207954"	282.359542666667	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+3H"	3.021828
"648976"	423.035676	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+3H"	3.021828
"1167099"	141.683409333333	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+3H"	3.021828
"425265"	862.090623	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+NH4"	18.033823
"787355"	1284.119023	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+NH4"	18.033823
"1685876"	440.062223	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+NH4"	18.033823
"332695"	431.5489495	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+H+NH4"	19.041099
"726210"	642.5631495	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+H+NH4"	19.041099
"1478938"	220.5347495	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H+NH4"	19.041099
"393972"	867.046018	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+Na"	22.989218
"755696"	1289.074418	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+Na"	22.989218
"1606714"	445.017618	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Na"	22.989218
"314800"	434.026647	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+H+Na"	23.996494
"708442"	645.040847	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+H+Na"	23.996494
"1464086"	223.012447	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H+Na"	23.996494
"1054416"	149.010723333333	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2H+Na"	25.00377
"1260474"	455.061886	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+CH3OH+H"	33.033486
"384153"	883.019958	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+K"	38.963158
"745149"	1305.048358	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+K"	38.963158
"1550485"	460.991558	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+K"	38.963158
"307663"	442.013617	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+H+K"	39.970434
"701177"	653.027817	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+H+K"	39.970434
"1453903"	230.999417	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H+K"	39.970434
"241409"	886.090626	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+ACN+H"	42.033826
"1216670"	464.062226	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+ACN+H"	42.033826
"1204567"	232.534751	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+ACN+2H"	43.041102
"197437"	889.02796	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+2Na-H"	44.97116
"638092"	1311.05636	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+2Na-H"	44.97116
"1141597"	466.99956	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2Na-H"	44.97116
"182704"	445.017618	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+2Na"	45.978436
"621169"	656.031818	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+2Na"	45.978436
"1123583"	234.003418	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2Na"	45.978436
"1402733"	156.338037333333	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H+2Na"	46.985712
"1435210"	469.041146	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H+HCOOH"	47.012746
"223447"	450.05064	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+3H2O+2H"	56.04448
"1512967"	483.09319	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+IsoProp+H"	61.06479
"411194"	453.004588	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+Na+K"	61.952376
"772552"	664.018788	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+Na+K"	61.952376
"1669980"	241.990388	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Na+K"	61.952376
"255772"	908.072568	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+ACN+Na"	64.015768
"1229936"	486.044168	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+ACN+Na"	64.015768
"1714085"	486.067693	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+NH4+HCOOH"	64.039293
"1183452"	163.665351333333	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+3Na"	68.967654
"1650582"	491.023088	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Na+HCOOH"	68.994688
"159596"	920.97584	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+2K-H"	76.91904
"603787"	1343.00424	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+2K-H"	76.91904
"1093767"	498.94744	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2K-H"	76.91904
"148394"	460.991558	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"2M+2K"	77.926316
"591237"	672.005758	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"3M+2K"	77.926316
"1074658"	249.977358	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2K"	77.926316
"1102763"	500.961992	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2K+H"	78.933592
"1343158"	501.049607	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+DMSO+H"	79.021207
"1011689"	505.088776	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2ACN+H"	83.060376
"1527993"	506.082408	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+IsoProp+Na+H"	84.054008
"994075"	253.048026	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+2ACN+2H"	84.067652
"1590037"	506.997028	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+K+HCOOH"	84.968628
"1428462"	537.028538	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+H+CF3COOH"	115.000138
"1155469"	273.561301	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+3ACN+2H"	125.094202
"1708299"	554.055085	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+NH4+CF3COOH"	132.026685
"1637389"	559.01048	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+Na+CF3COOH"	136.98208
"1575228"	574.98442	"C11727"	"Chloramphenicol succinate"	"C15H16Cl2N2O8"	"422.0284"	"M+K+CF3COOH"	152.95602
"812155"	504.1462	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M"	0
"985688"	485.12781	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-H2O-H"	-19.01839
"68463"	335.090190666667	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M-3H"	-3.021828
"518193"	503.138924	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M-3H"	-3.021828
"893481"	167.041457333333	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-3H"	-3.021828
"13154"	503.138924	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M-2H"	-2.014552
"452713"	755.212024	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M-2H"	-2.014552
"832299"	251.065824	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-2H"	-2.014552
"93424"	1007.285124	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M-H"	-1.007276
"531162"	1511.431324	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M-H"	-1.007276
"901310"	503.138924	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-H"	-1.007276
"49123"	1024.311671	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M-2H+NH4"	16.019271
"490869"	1528.457871	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M-2H+NH4"	16.019271
"876328"	520.165471	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-2H+NH4"	16.019271
"42043"	1029.267066	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M-2H+Na"	20.974666
"479416"	1533.413266	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M-2H+Na"	20.974666
"859405"	525.120866	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-2H+Na"	20.974666
"1627845"	525.120866	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Na-2H"	20.974666
"98179"	521.127263	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M-H+Cl"	33.962126
"537004"	773.200363	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M-H+Cl"	33.962126
"934167"	269.054163	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-H+Cl"	33.962126
"268715"	1043.261802	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+Cl"	34.969402
"661137"	1547.408002	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+Cl"	34.969402
"1276090"	539.115602	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Cl"	34.969402
"18655"	1045.241006	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M-2H+K"	36.948606
"462955"	1549.387206	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M-2H+K"	36.948606
"836746"	541.094806	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-2H+K"	36.948606
"1556345"	541.094806	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+K-2H"	36.948606
"947391"	549.144394	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-H+HCOOH"	44.998194
"361957"	1053.290601	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+HCOOH-H"	44.998201
"348395"	1067.306251	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+Hac-H"	59.013851
"1495767"	563.160051	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Hac-H"	59.013851
"961123"	571.126351	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-H+NaCOOH"	66.980151
"111489"	539.115602	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+2Cl"	69.938804
"556886"	791.188702	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+2Cl"	69.938804
"1030062"	287.042502	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2Cl"	69.938804
"1245264"	583.065085	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Br"	78.918885
"1305526"	585.121072	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Cl+HCOOH"	80.974872
"1320468"	607.103029	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Cl+NaCOOH"	102.956829
"912986"	617.131786	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M-H+CF3COOH"	112.985586
"1290786"	653.108464	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Cl+CF3COOH"	148.962264
"1368216"	469.133524	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H-2H2O"	-35.012676
"1389724"	487.1435	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H-H2O"	-17.0027
"284307"	1009.299676	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+H"	1.007276
"681833"	1513.445876	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+H"	1.007276
"1362556"	505.153476	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H"	1.007276
"138728"	505.153476	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+2H"	2.014552
"577195"	757.226576	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+2H"	2.014552
"1041621"	253.080376	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2H"	2.014552
"206606"	337.104742666667	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+3H"	3.021828
"649086"	505.153476	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+3H"	3.021828
"1164657"	169.056009333333	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+3H"	3.021828
"424481"	1026.326223	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+NH4"	18.033823
"788196"	1530.472423	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+NH4"	18.033823
"1684893"	522.180023	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+NH4"	18.033823
"331713"	513.6667495	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+H+NH4"	19.041099
"727415"	765.7398495	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+H+NH4"	19.041099
"1484516"	261.5936495	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H+NH4"	19.041099
"396635"	1031.281618	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+Na"	22.989218
"758723"	1535.427818	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+Na"	22.989218
"1605731"	527.135418	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Na"	22.989218
"314914"	516.144447	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+H+Na"	23.996494
"713657"	768.217547	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+H+Na"	23.996494
"1464196"	264.071347	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H+Na"	23.996494
"1054403"	176.383323333333	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2H+Na"	25.00377
"1260583"	537.179686	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+CH3OH+H"	33.033486
"380252"	1047.255558	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+K"	38.963158
"741978"	1551.401758	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+K"	38.963158
"1545128"	543.109358	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+K"	38.963158
"306679"	524.131417	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+H+K"	39.970434
"699100"	776.204517	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+H+K"	39.970434
"1452919"	272.058317	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H+K"	39.970434
"241519"	1050.326226	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+ACN+H"	42.033826
"1216415"	546.180026	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+ACN+H"	42.033826
"1199209"	273.593651	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+ACN+2H"	43.041102
"197547"	1053.26356	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+2Na-H"	44.97116
"632003"	1557.40976	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+2Na-H"	44.97116
"1135510"	549.11736	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2Na-H"	44.97116
"181721"	527.135418	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+2Na"	45.978436
"618000"	779.208518	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+2Na"	45.978436
"1122600"	275.062318	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2Na"	45.978436
"1401750"	183.710637333333	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H+2Na"	46.985712
"1432041"	551.158946	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H+HCOOH"	47.012746
"222465"	532.16844	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+3H2O+2H"	56.04448
"1510890"	565.21099	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+IsoProp+H"	61.06479
"409482"	535.122388	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+Na+K"	61.952376
"770841"	787.195488	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+Na+K"	61.952376
"1669362"	283.049288	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Na+K"	61.952376
"254424"	1072.308168	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+ACN+Na"	64.015768
"1227860"	568.161968	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+ACN+Na"	64.015768
"1714925"	568.185493	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+NH4+HCOOH"	64.039293
"1186478"	191.037951333333	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+3Na"	68.967654
"1651386"	573.140888	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Na+HCOOH"	68.994688
"159465"	1085.21144	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+2K-H"	76.91904
"607176"	1589.35764	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+2K-H"	76.91904
"1094970"	581.06524	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2K-H"	76.91904
"148504"	543.109358	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"2M+2K"	77.926316
"591347"	795.182458	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"3M+2K"	77.926316
"1071122"	291.036258	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2K"	77.926316
"1101900"	583.079792	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2K+H"	78.933592
"1339988"	583.167407	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+DMSO+H"	79.021207
"1008882"	587.206576	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2ACN+H"	83.060376
"1527737"	588.200208	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+IsoProp+Na+H"	84.054008
"991146"	294.106926	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+2ACN+2H"	84.067652
"1590147"	589.114828	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+K+HCOOH"	84.968628
"1425289"	619.146338	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+H+CF3COOH"	115.000138
"1155579"	314.620201	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+3ACN+2H"	125.094202
"1708409"	636.172885	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+NH4+CF3COOH"	132.026685
"1637499"	641.12828	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+Na+CF3COOH"	136.98208
"1575338"	657.10222	"C11728"	"Clindamycin phosphate"	"C18H34ClN2O8PS"	"504.1462"	"M+K+CF3COOH"	152.95602
"810081"	389.1409	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M"	0
"982519"	370.12251	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-H2O-H"	-19.01839
"75502"	258.419990666667	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M-3H"	-3.021828
"516156"	388.133624	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M-3H"	-3.021828
"893227"	128.706357333333	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-3H"	-3.021828
"15085"	388.133624	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M-2H"	-2.014552
"449543"	582.704074	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M-2H"	-2.014552
"831355"	193.563174	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-2H"	-2.014552
"92683"	777.274524	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M-H"	-1.007276
"529084"	1166.415424	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M-H"	-1.007276
"900327"	388.133624	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-H"	-1.007276
"52514"	794.301071	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M-2H+NH4"	16.019271
"490982"	1183.441971	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M-2H+NH4"	16.019271
"878871"	405.160171	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-2H+NH4"	16.019271
"37780"	799.256466	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M-2H+Na"	20.974666
"474423"	1188.397366	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M-2H+Na"	20.974666
"860609"	410.115566	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-2H+Na"	20.974666
"1626863"	410.115566	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Na-2H"	20.974666
"96831"	406.121963	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M-H+Cl"	33.962126
"534482"	600.692413	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M-H+Cl"	33.962126
"928081"	211.551513	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-H+Cl"	33.962126
"269555"	813.251202	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+Cl"	34.969402
"660521"	1202.392102	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+Cl"	34.969402
"1273284"	424.110302	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Cl"	34.969402
"19130"	815.230406	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M-2H+K"	36.948606
"464158"	1204.371306	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M-2H+K"	36.948606
"841960"	426.089506	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-2H+K"	36.948606
"1557427"	426.089506	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+K-2H"	36.948606
"945679"	434.139094	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-H+HCOOH"	44.998194
"361694"	823.280001	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+HCOOH-H"	44.998201
"349965"	837.295651	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+Hac-H"	59.013851
"1495151"	448.154751	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Hac-H"	59.013851
"961235"	456.121051	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-H+NaCOOH"	66.980151
"116339"	424.110302	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+2Cl"	69.938804
"558092"	618.680752	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+2Cl"	69.938804
"1030172"	229.539852	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2Cl"	69.938804
"1243186"	468.059785	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Br"	78.918885
"1306729"	470.115772	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Cl+HCOOH"	80.974872
"1321310"	492.097729	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Cl+NaCOOH"	102.956829
"914190"	502.126486	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M-H+CF3COOH"	112.985586
"1289314"	538.103164	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Cl+CF3COOH"	148.962264
"1367353"	354.128224	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H-2H2O"	-35.012676
"1386554"	372.1382	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H-H2O"	-17.0027
"285146"	779.289076	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+H"	1.007276
"683037"	1168.429976	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+H"	1.007276
"1364853"	390.148176	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H"	1.007276
"138838"	390.148176	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+2H"	2.014552
"576212"	584.718626	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+2H"	2.014552
"1045012"	195.577726	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2H"	2.014552
"206354"	260.434542666667	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+3H"	3.021828
"649196"	390.148176	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+3H"	3.021828
"1165498"	130.720909333333	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+3H"	3.021828
"426581"	796.315623	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+NH4"	18.033823
"791588"	1185.456523	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+NH4"	18.033823
"1686826"	407.174723	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+NH4"	18.033823
"330485"	398.6614495	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+H+NH4"	19.041099
"727525"	593.2318995	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+H+NH4"	19.041099
"1481345"	204.0909995	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H+NH4"	19.041099
"398932"	801.271018	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+Na"	22.989218
"758834"	1190.411918	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+Na"	22.989218
"1608028"	412.130118	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Na"	22.989218
"315877"	401.139147	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+H+Na"	23.996494
"708661"	595.709597	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+H+Na"	23.996494
"1464306"	206.568697	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H+Na"	23.996494
"1053541"	138.048223333333	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2H+Na"	25.00377
"1263608"	422.174386	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+CH3OH+H"	33.033486
"383277"	817.244958	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+K"	38.963158
"742452"	1206.385858	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+K"	38.963158
"1545238"	428.104058	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+K"	38.963158
"306789"	409.126117	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+H+K"	39.970434
"699210"	603.696567	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+H+K"	39.970434
"1451936"	214.555667	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H+K"	39.970434
"242722"	820.315626	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+ACN+H"	42.033826
"1217619"	431.174726	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+ACN+H"	42.033826
"1202596"	216.091001	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+ACN+2H"	43.041102
"194377"	823.25296	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+2Na-H"	44.97116
"633937"	1212.39386	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+2Na-H"	44.97116
"1137442"	434.11206	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2Na-H"	44.97116
"182561"	412.130118	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+2Na"	45.978436
"619204"	606.700568	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+2Na"	45.978436
"1121617"	217.559668	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2Na"	45.978436
"1404048"	145.375537333333	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H+2Na"	46.985712
"1432149"	436.153646	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H+HCOOH"	47.012746
"221845"	417.16314	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+3H2O+2H"	56.04448
"1509540"	450.20569	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+IsoProp+H"	61.06479
"409594"	420.117088	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+Na+K"	61.952376
"773508"	614.687538	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+Na+K"	61.952376
"1670931"	225.546638	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Na+K"	61.952376
"256720"	842.297568	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+ACN+Na"	64.015768
"1227971"	453.156668	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+ACN+Na"	64.015768
"1719046"	453.180193	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+NH4+HCOOH"	64.039293
"1179416"	152.702851333333	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+3Na"	68.967654
"1650234"	458.135588	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Na+HCOOH"	68.994688
"160062"	855.20084	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+2K-H"	76.91904
"609473"	1244.34174	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+2K-H"	76.91904
"1095081"	466.05994	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2K-H"	76.91904
"149710"	428.104058	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"2M+2K"	77.926316
"591457"	622.674508	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"3M+2K"	77.926316
"1074879"	233.533608	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2K"	77.926316
"1102256"	468.074492	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2K+H"	78.933592
"1337667"	468.162107	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+DMSO+H"	79.021207
"1008992"	472.201276	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2ACN+H"	83.060376
"1527850"	473.194908	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+IsoProp+Na+H"	84.054008
"992836"	236.604276	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+2ACN+2H"	84.067652
"1588800"	474.109528	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+K+HCOOH"	84.968628
"1427586"	504.141038	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+H+CF3COOH"	115.000138
"1155689"	257.117551	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+3ACN+2H"	125.094202
"1703054"	521.167585	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+NH4+CF3COOH"	132.026685
"1635423"	526.12298	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+Na+CF3COOH"	136.98208
"1575448"	542.09692	"C11729"	"Hetacillin"	"C19H23N3O4S"	"389.1409"	"M+K+CF3COOH"	152.95602
"809095"	680.2424	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M"	0
"982629"	661.22401	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-H2O-H"	-19.01839
"75245"	452.487657333333	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M-3H"	-3.021828
"516998"	679.235124	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M-3H"	-3.021828
"894439"	225.740190666667	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-3H"	-3.021828
"14830"	679.235124	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M-2H"	-2.014552
"454275"	1019.356324	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M-2H"	-2.014552
"830371"	339.113924	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-2H"	-2.014552
"92428"	1359.477524	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M-H"	-1.007276
"531990"	2039.719924	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M-H"	-1.007276
"899344"	679.235124	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-H"	-1.007276
"53717"	1376.504071	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M-2H+NH4"	16.019271
"492185"	2056.746471	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M-2H+NH4"	16.019271
"877888"	696.261671	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-2H+NH4"	16.019271
"43361"	1381.459466	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M-2H+Na"	20.974666
"485108"	2061.701866	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M-2H+Na"	20.974666
"861817"	701.217066	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-2H+Na"	20.974666
"1625882"	701.217066	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Na-2H"	20.974666
"101315"	697.223463	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M-H+Cl"	33.962126
"536505"	1037.344663	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M-H+Cl"	33.962126
"928197"	357.102263	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-H+Cl"	33.962126
"268573"	1395.454202	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+Cl"	34.969402
"662090"	2075.696602	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+Cl"	34.969402
"1273192"	715.211802	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Cl"	34.969402
"18146"	1397.433406	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M-2H+K"	36.948606
"458802"	2077.675806	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M-2H+K"	36.948606
"839883"	717.191006	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-2H+K"	36.948606
"1557905"	717.191006	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+K-2H"	36.948606
"950165"	725.240594	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-H+HCOOH"	44.998194
"368382"	1405.483001	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+HCOOH-H"	44.998201
"350441"	1419.498651	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+Hac-H"	59.013851
"1503284"	739.256251	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Hac-H"	59.013851
"962440"	747.222551	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-H+NaCOOH"	66.980151
"113534"	715.211802	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+2Cl"	69.938804
"559300"	1055.333002	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+2Cl"	69.938804
"1030283"	375.090602	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2Cl"	69.938804
"1248039"	759.161285	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Br"	78.918885
"1309028"	761.217272	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Cl+HCOOH"	80.974872
"1320447"	783.199229	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Cl+NaCOOH"	102.956829
"911866"	793.227986	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M-H+CF3COOH"	112.985586
"1293560"	829.204664	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Cl+CF3COOH"	148.962264
"1370629"	645.229724	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H-2H2O"	-35.012676
"1384843"	663.2397	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H-H2O"	-17.0027
"284530"	1361.492076	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+H"	1.007276
"680961"	2041.734476	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+H"	1.007276
"1357312"	681.249676	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H"	1.007276
"137126"	681.249676	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+2H"	2.014552
"577782"	1021.370876	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+2H"	2.014552
"1048040"	341.128476	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2H"	2.014552
"217400"	454.502209333333	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+3H"	3.021828
"653681"	681.249676	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+3H"	3.021828
"1168525"	227.754742666667	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+3H"	3.021828
"428517"	1378.518623	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+NH4"	18.033823
"794980"	2058.761023	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+NH4"	18.033823
"1689125"	698.276223	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+NH4"	18.033823
"335214"	689.7629495	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+H+NH4"	19.041099
"726542"	1029.8841495	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+H+NH4"	19.041099
"1484737"	349.6417495	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H+NH4"	19.041099
"397949"	1383.474018	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+Na"	22.989218
"758946"	2063.716418	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+Na"	22.989218
"1611418"	703.231618	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Na"	22.989218
"317080"	692.240647	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+H+Na"	23.996494
"716064"	1032.361847	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+H+Na"	23.996494
"1466604"	352.119447	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H+Na"	23.996494
"1059850"	235.082056666667	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2H+Na"	25.00377
"1261530"	713.275886	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+CH3OH+H"	33.033486
"381200"	1399.447958	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+K"	38.963158
"744384"	2079.690358	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+K"	38.963158
"1546800"	719.205558	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+K"	38.963158
"309086"	700.227617	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+H+K"	39.970434
"698227"	1040.348817	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+H+K"	39.970434
"1454963"	360.106417	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H+K"	39.970434
"242836"	1402.518626	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+ACN+H"	42.033826
"1219921"	722.276226	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+ACN+H"	42.033826
"1201615"	361.641751	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+ACN+2H"	43.041102
"196673"	1405.45596	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+2Na-H"	44.97116
"639514"	2085.69836	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+2Na-H"	44.97116
"1140832"	725.21356	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2Na-H"	44.97116
"181941"	703.231618	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+2Na"	45.978436
"619317"	1043.352818	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+2Na"	45.978436
"1119542"	363.110418	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2Na"	45.978436
"1404887"	242.409370666667	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H+2Na"	46.985712
"1431898"	727.255146	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H+HCOOH"	47.012746
"222685"	708.26464	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+3H2O+2H"	56.04448
"1516951"	741.30719	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+IsoProp+H"	61.06479
"414816"	711.218588	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+Na+K"	61.952376
"774717"	1051.339788	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+Na+K"	61.952376
"1667399"	371.097388	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Na+K"	61.952376
"253918"	1424.500568	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+ACN+Na"	64.015768
"1230999"	744.258168	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+ACN+Na"	64.015768
"1718429"	744.281693	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+NH4+HCOOH"	64.039293
"1183416"	249.736684666667	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+3Na"	68.967654
"1653310"	749.237088	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Na+HCOOH"	68.994688
"160174"	1437.40384	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+2K-H"	76.91904
"597915"	2117.64624	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+2K-H"	76.91904
"1095191"	757.16144	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2K-H"	76.91904
"147633"	719.205558	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"2M+2K"	77.926316
"586098"	1059.326758	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"3M+2K"	77.926316
"1074989"	379.084358	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2K"	77.926316
"1104918"	759.175992	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2K+H"	78.933592
"1339478"	759.263607	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+DMSO+H"	79.021207
"1006914"	763.302776	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2ACN+H"	83.060376
"1531240"	764.296408	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+IsoProp+Na+H"	84.054008
"991489"	382.155026	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+2ACN+2H"	84.067652
"1587692"	765.211028	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+K+HCOOH"	84.968628
"1422231"	795.242538	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+H+CF3COOH"	115.000138
"1157985"	402.668301	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+3ACN+2H"	125.094202
"1709725"	812.269085	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+NH4+CF3COOH"	132.026685
"1641001"	817.22448	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+Na+CF3COOH"	136.98208
"1572278"	833.19842	"C11730"	"Temoporfin;Foscan"	"C44H32N4O4"	"680.2424"	"M+K+CF3COOH"	152.95602
"809205"	155.0138	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M"	0
"982738"	135.99541	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-H2O-H"	-19.01839
"72074"	102.335257333333	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M-3H"	-3.021828
"513820"	154.006524	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M-3H"	-3.021828
"890530"	50.6639906666667	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-3H"	-3.021828
"10198"	154.006524	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M-2H"	-2.014552
"451949"	231.513424	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M-2H"	-2.014552
"827564"	76.499624	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-2H"	-2.014552
"89742"	309.020324	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M-H"	-1.007276
"532827"	464.034124	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M-H"	-1.007276
"901637"	154.006524	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-H"	-1.007276
"52731"	326.046871	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M-2H+NH4"	16.019271
"493386"	481.060671	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M-2H+NH4"	16.019271
"869004"	171.033071	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-2H+NH4"	16.019271
"42376"	331.002266	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M-2H+Na"	20.974666
"479751"	486.016066	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M-2H+Na"	20.974666
"858645"	175.988466	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-2H+Na"	20.974666
"1624898"	175.988466	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Na-2H"	20.974666
"99237"	171.994863	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M-H+Cl"	33.962126
"534545"	249.501763	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M-H+Cl"	33.962126
"929035"	94.487963	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-H+Cl"	33.962126
"267591"	344.997002	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+Cl"	34.969402
"660101"	500.010802	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+Cl"	34.969402
"1273032"	189.983202	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Cl"	34.969402
"16022"	346.976206	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M-2H+K"	36.948606
"457818"	501.990006	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M-2H+K"	36.948606
"838899"	191.962406	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-2H+K"	36.948606
"1555610"	191.962406	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+K-2H"	36.948606
"944077"	200.011994	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-H+HCOOH"	44.998194
"366304"	355.025801	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+HCOOH-H"	44.998201
"347392"	369.041451	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+Hac-H"	59.013851
"1495738"	214.027651	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Hac-H"	59.013851
"959633"	221.993951	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-H+NaCOOH"	66.980151
"112550"	189.983202	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+2Cl"	69.938804
"552845"	267.490102	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+2Cl"	69.938804
"1023103"	112.476302	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2Cl"	69.938804
"1241749"	233.932685	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Br"	78.918885
"1304804"	235.988672	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Cl+HCOOH"	80.974872
"1320797"	257.970629	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Cl+NaCOOH"	102.956829
"911978"	267.999386	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M-H+CF3COOH"	112.985586
"1290389"	303.976064	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Cl+CF3COOH"	148.962264
"1370373"	120.001124	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H-2H2O"	-35.012676
"1384464"	138.0111	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H-H2O"	-17.0027
"285368"	311.034876	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+H"	1.007276
"679976"	466.048676	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+H"	1.007276
"1360701"	156.021076	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H"	1.007276
"135777"	156.021076	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+2H"	2.014552
"569873"	233.527976	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+2H"	2.014552
"1048516"	78.514176	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2H"	2.014552
"213136"	104.349809333333	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+3H"	3.021828
"649418"	156.021076	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+3H"	3.021828
"1171916"	52.6785426666667	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+3H"	3.021828
"433000"	328.061423	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+NH4"	18.033823
"795090"	483.075223	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+NH4"	18.033823
"1693608"	173.047623	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+NH4"	18.033823
"341885"	164.5343495	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+H+NH4"	19.041099
"732119"	242.0412495	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+H+NH4"	19.041099
"1489220"	87.0274495	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H+NH4"	19.041099
"404620"	333.016818	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+Na"	22.989218
"759057"	488.030618	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+Na"	22.989218
"1611529"	178.003018	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Na"	22.989218
"319377"	167.012047	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+H+Na"	23.996494
"713988"	244.518947	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+H+Na"	23.996494
"1467809"	89.505147	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H+Na"	23.996494
"1062878"	60.0058566666667	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2H+Na"	25.00377
"1262733"	188.047286	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+CH3OH+H"	33.033486
"383497"	348.990758	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+K"	38.963158
"745588"	504.004558	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+K"	38.963158
"1543271"	193.976958	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+K"	38.963158
"308104"	174.999017	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+H+K"	39.970434
"698338"	252.505917	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+H+K"	39.970434
"1453252"	97.492117	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H+K"	39.970434
"248414"	352.061426	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+ACN+H"	42.033826
"1222217"	197.047626	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+ACN+H"	42.033826
"1200630"	99.027451	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+ACN+2H"	43.041102
"197511"	354.99876	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+2Na-H"	44.97116
"636343"	510.01256	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+2Na-H"	44.97116
"1140942"	199.98496	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2Na-H"	44.97116
"183873"	178.003018	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+2Na"	45.978436
"621978"	255.509918	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+2Na"	45.978436
"1124390"	100.496118	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2Na"	45.978436
"1406820"	67.3331706666667	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H+2Na"	46.985712
"1436381"	202.026546	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H+HCOOH"	47.012746
"226075"	183.03604	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+3H2O+2H"	56.04448
"1518154"	216.07859	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+IsoProp+H"	61.06479
"414926"	185.989988	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+Na+K"	61.952376
"774827"	263.496888	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+Na+K"	61.952376
"1670791"	108.483088	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Na+K"	61.952376
"257676"	374.043368	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+ACN+Na"	64.015768
"1235120"	219.029568	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+ACN+Na"	64.015768
"1721090"	219.053093	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+NH4+HCOOH"	64.039293
"1184621"	74.6604846666667	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+3Na"	68.967654
"1652327"	224.008488	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Na+HCOOH"	68.994688
"161377"	386.94664	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+2K-H"	76.91904
"604219"	541.96044	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+2K-H"	76.91904
"1089825"	231.93284	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2K-H"	76.91904
"144819"	193.976958	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"2M+2K"	77.926316
"585114"	271.483858	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"3M+2K"	77.926316
"1069376"	116.470058	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2K"	77.926316
"1105028"	233.947392	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2K+H"	78.933592
"1339224"	234.035007	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+DMSO+H"	79.021207
"1007753"	238.074176	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2ACN+H"	83.060376
"1532443"	239.067808	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+IsoProp+Na+H"	84.054008
"992692"	119.540726	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+2ACN+2H"	84.067652
"1588410"	239.982428	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+K+HCOOH"	84.968628
"1422341"	270.013938	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+H+CF3COOH"	115.000138
"1157002"	140.054001	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+3ACN+2H"	125.094202
"1709836"	287.040485	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+NH4+CF3COOH"	132.026685
"1641111"	291.99588	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+Na+CF3COOH"	136.98208
"1572388"	307.96982	"C11731"	"m-Chlorobenzamide;3-Chlorobenzamide"	"C7H6ClNO"	"155.0138"	"M+K+CF3COOH"	152.95602
"812595"	230.0708	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M"	0
"986128"	211.05241	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-H2O-H"	-19.01839
"72184"	152.373257333333	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M-3H"	-3.021828
"511744"	229.063524	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M-3H"	-3.021828
"888453"	75.6829906666667	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-3H"	-3.021828
"10308"	229.063524	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M-2H"	-2.014552
"453150"	344.098924	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M-2H"	-2.014552
"829858"	114.028124	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-2H"	-2.014552
"87667"	459.134324	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M-H"	-1.007276
"533422"	689.205124	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M-H"	-1.007276
"899193"	229.063524	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-H"	-1.007276
"52838"	476.160871	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M-2H+NH4"	16.019271
"493496"	706.231671	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M-2H+NH4"	16.019271
"869112"	246.090071	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-2H+NH4"	16.019271
"43581"	481.116266	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M-2H+Na"	20.974666
"484235"	711.187066	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M-2H+Na"	20.974666
"859850"	251.045466	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-2H+Na"	20.974666
"1625008"	251.045466	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Na-2H"	20.974666
"99348"	247.051863	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M-H+Cl"	33.962126
"537818"	362.087263	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M-H+Cl"	33.962126
"929145"	132.016463	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-H+Cl"	33.962126
"268550"	495.111002	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+Cl"	34.969402
"661697"	725.181802	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+Cl"	34.969402
"1273372"	265.040202	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Cl"	34.969402
"17510"	497.090206	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M-2H+K"	36.948606
"463395"	727.161006	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M-2H+K"	36.948606
"842289"	267.019406	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-2H+K"	36.948606
"1556178"	267.019406	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+K-2H"	36.948606
"946377"	275.068994	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-H+HCOOH"	44.998194
"364592"	505.139801	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+HCOOH-H"	44.998201
"346895"	519.155451	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+Hac-H"	59.013851
"1496578"	289.084651	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Hac-H"	59.013851
"961567"	297.050951	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-H+NaCOOH"	66.980151
"112660"	265.040202	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+2Cl"	69.938804
"555872"	380.075602	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+2Cl"	69.938804
"1022723"	150.004802	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2Cl"	69.938804
"1242299"	308.989685	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Br"	78.918885
"1305236"	311.045672	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Cl+HCOOH"	80.974872
"1320303"	333.027629	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Cl+NaCOOH"	102.956829
"912087"	343.056386	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M-H+CF3COOH"	112.985586
"1288563"	379.033064	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Cl+CF3COOH"	148.962264
"1368295"	195.058124	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H-2H2O"	-35.012676
"1385063"	213.0681	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H-H2O"	-17.0027
"283657"	461.148876	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+H"	1.007276
"677171"	691.219676	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+H"	1.007276
"1356435"	231.078076	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H"	1.007276
"128235"	231.078076	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+2H"	2.014552
"573265"	346.113476	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+2H"	2.014552
"1047536"	116.042676	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2H"	2.014552
"213248"	154.387809333333	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+3H"	3.021828
"653902"	231.078076	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+3H"	3.021828
"1175308"	77.6975426666667	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+3H"	3.021828
"432021"	478.175423	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+NH4"	18.033823
"794110"	708.246223	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+NH4"	18.033823
"1692994"	248.104623	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+NH4"	18.033823
"339812"	239.5913495	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+H+NH4"	19.041099
"728953"	354.6267495	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+H+NH4"	19.041099
"1487146"	124.5559495	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H+NH4"	19.041099
"401454"	483.130818	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+Na"	22.989218
"764636"	713.201618	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+Na"	22.989218
"1609455"	253.060018	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Na"	22.989218
"323862"	242.069047	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+H+Na"	23.996494
"714100"	357.104447	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+H+Na"	23.996494
"1474481"	127.033647	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H+Na"	23.996494
"1064447"	85.0248566666667	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2H+Na"	25.00377
"1262113"	263.104286	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+CH3OH+H"	33.033486
"381421"	499.104758	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+K"	38.963158
"746789"	729.175558	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+K"	38.963158
"1548851"	269.033958	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+K"	38.963158
"311496"	250.056017	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+H+K"	39.970434
"698448"	365.091417	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+H+K"	39.970434
"1456644"	135.020617	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H+K"	39.970434
"246338"	502.175426	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+ACN+H"	42.033826
"1220142"	272.104626	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+ACN+H"	42.033826
"1207304"	136.555951	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+ACN+2H"	43.041102
"196895"	505.11276	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+2Na-H"	44.97116
"638639"	735.18356	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+2Na-H"	44.97116
"1139958"	275.04196	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2Na-H"	44.97116
"178880"	253.060018	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+2Na"	45.978436
"620630"	368.095418	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+2Na"	45.978436
"1123042"	138.024618	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2Na"	45.978436
"1406565"	92.3521706666667	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H+2Na"	46.985712
"1433212"	277.083546	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H+HCOOH"	47.012746
"222906"	258.09304	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+3H2O+2H"	56.04448
"1519360"	291.13559	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+IsoProp+H"	61.06479
"419413"	261.046988	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+Na+K"	61.952376
"780041"	376.082388	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+Na+K"	61.952376
"1670174"	146.011588	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Na+K"	61.952376
"257786"	524.157368	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+ACN+Na"	64.015768
"1233773"	294.086568	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+ACN+Na"	64.015768
"1721564"	294.110093	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+NH4+HCOOH"	64.039293
"1186918"	99.6794846666667	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+3Na"	68.967654
"1655717"	299.065488	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Na+HCOOH"	68.994688
"161488"	537.06064	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+2K-H"	76.91904
"602143"	767.13144	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+2K-H"	76.91904
"1088842"	306.98984	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2K-H"	76.91904
"141888"	269.033958	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"2M+2K"	77.926316
"584495"	384.069358	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"3M+2K"	77.926316
"1068919"	153.998558	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2K"	77.926316
"1107325"	309.004392	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2K+H"	78.933592
"1338242"	309.092007	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+DMSO+H"	79.021207
"1006034"	313.131176	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2ACN+H"	83.060376
"1531460"	314.124808	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+IsoProp+Na+H"	84.054008
"992439"	157.069226	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+2ACN+2H"	84.067652
"1588035"	315.039428	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+K+HCOOH"	84.968628
"1424638"	345.070938	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+H+CF3COOH"	115.000138
"1157112"	177.582501	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+3ACN+2H"	125.094202
"1708852"	362.097485	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+NH4+CF3COOH"	132.026685
"1641221"	367.05288	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+Na+CF3COOH"	136.98208
"1575778"	383.02682	"C11732"	"Diethyl phenyl phosphate;Phosphoric acid diethyl phenyl ester"	"C10H15O4P"	"230.0708"	"M+K+CF3COOH"	152.95602
"806145"	258.3035	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M"	0
"982958"	239.28511	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-H2O-H"	-19.01839
"69013"	171.195057333333	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M-3H"	-3.021828
"510759"	257.296224	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M-3H"	-3.021828
"883093"	85.0938906666667	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-3H"	-3.021828
"7135"	257.296224	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M-2H"	-2.014552
"451072"	386.447974	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M-2H"	-2.014552
"828877"	128.144474	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-2H"	-2.014552
"91783"	515.599724	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M-H"	-1.007276
"531711"	773.903224	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M-H"	-1.007276
"899669"	257.296224	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-H"	-1.007276
"51855"	532.626271	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M-2H+NH4"	16.019271
"493606"	790.929771	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M-2H+NH4"	16.019271
"869586"	274.322771	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-2H+NH4"	16.019271
"36394"	537.581666	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M-2H+Na"	20.974666
"481065"	795.885166	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M-2H+Na"	20.974666
"859960"	279.278166	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-2H+Na"	20.974666
"1626212"	279.278166	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Na-2H"	20.974666
"97273"	275.284563	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M-H+Cl"	33.962126
"536835"	404.436313	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M-H+Cl"	33.962126
"930349"	146.132813	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-H+Cl"	33.962126
"269269"	551.576402	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+Cl"	34.969402
"660959"	809.879902	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+Cl"	34.969402
"1273848"	293.272902	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Cl"	34.969402
"18472"	553.555606	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M-2H+K"	36.948606
"464598"	811.859106	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M-2H+K"	36.948606
"842399"	295.252106	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-2H+K"	36.948606
"1556165"	295.252106	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+K-2H"	36.948606
"945394"	303.301694	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-H+HCOOH"	44.998194
"365796"	561.605201	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+HCOOH-H"	44.998201
"348950"	575.620851	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+Hac-H"	59.013851
"1496688"	317.317351	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Hac-H"	59.013851
"959125"	325.283651	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-H+NaCOOH"	66.980151
"114591"	293.272902	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+2Cl"	69.938804
"556348"	422.424652	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+2Cl"	69.938804
"1022955"	164.121152	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2Cl"	69.938804
"1242653"	337.222385	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Br"	78.918885
"1306440"	339.278372	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Cl+HCOOH"	80.974872
"1320411"	361.260329	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Cl+NaCOOH"	102.956829
"912441"	371.289086	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M-H+CF3COOH"	112.985586
"1292065"	407.265764	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Cl+CF3COOH"	148.962264
"1372413"	223.290824	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H-2H2O"	-35.012676
"1384445"	241.3008	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H-H2O"	-17.0027
"284860"	517.614276	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+H"	1.007276
"679103"	775.917776	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+H"	1.007276
"1355452"	259.310776	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H"	1.007276
"129804"	259.310776	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+2H"	2.014552
"577024"	388.462526	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+2H"	2.014552
"1049105"	130.159026	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2H"	2.014552
"210080"	173.209609333333	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+3H"	3.021828
"654013"	259.310776	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+3H"	3.021828
"1177123"	87.1084426666667	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+3H"	3.021828
"432132"	534.640823	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+NH4"	18.033823
"795315"	792.944323	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+NH4"	18.033823
"1690551"	276.337323	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+NH4"	18.033823
"336644"	267.8240495	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+H+NH4"	19.041099
"729064"	396.9757995	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+H+NH4"	19.041099
"1487258"	138.6722995	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H+NH4"	19.041099
"400472"	539.596218	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+Na"	22.989218
"761468"	797.899718	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+Na"	22.989218
"1611753"	281.292718	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Na"	22.989218
"322883"	270.301747	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+H+Na"	23.996494
"712025"	399.453497	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+H+Na"	23.996494
"1472408"	141.149997	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H+Na"	23.996494
"1066745"	94.4357566666666	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2H+Na"	25.00377
"1262951"	291.336986	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+CH3OH+H"	33.033486
"379706"	555.570158	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+K"	38.963158
"741431"	813.873658	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+K"	38.963158
"1546775"	297.266658	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+K"	38.963158
"303222"	278.288717	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+H+K"	39.970434
"698560"	407.440467	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+H+K"	39.970434
"1456754"	149.136967	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H+K"	39.970434
"246448"	558.640826	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+ACN+H"	42.033826
"1219160"	300.337326	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+ACN+H"	42.033826
"1204863"	150.672301	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+ACN+2H"	43.041102
"192630"	561.57816	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+2Na-H"	44.97116
"634377"	819.88166	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+2Na-H"	44.97116
"1136788"	303.27466	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2Na-H"	44.97116
"174858"	281.292718	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+2Na"	45.978436
"617457"	410.444468	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+2Na"	45.978436
"1123152"	152.140968	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2Na"	45.978436
"1404488"	101.763070666667	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H+2Na"	46.985712
"1430647"	305.316246	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H+HCOOH"	47.012746
"221557"	286.32574	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+3H2O+2H"	56.04448
"1519471"	319.36829	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+IsoProp+H"	61.06479
"412960"	289.279688	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+Na+K"	61.952376
"777234"	418.431438	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+Na+K"	61.952376
"1672471"	160.127938	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Na+K"	61.952376
"256803"	580.622768	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+ACN+Na"	64.015768
"1234976"	322.319268	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+ACN+Na"	64.015768
"1722768"	322.342793	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+NH4+HCOOH"	64.039293
"1188851"	109.090384666667	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+3Na"	68.967654
"1655827"	327.298188	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Na+HCOOH"	68.994688
"161598"	593.52604	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+2K-H"	76.91904
"603344"	851.82954	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+2K-H"	76.91904
"1091138"	335.22254	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2K-H"	76.91904
"146860"	297.266658	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"2M+2K"	77.926316
"583268"	426.418408	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"3M+2K"	77.926316
"1070936"	168.114908	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2K"	77.926316
"1105247"	337.237092	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2K+H"	78.933592
"1339445"	337.324707	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+DMSO+H"	79.021207
"1006512"	341.363876	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2ACN+H"	83.060376
"1527195"	342.357508	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+IsoProp+Na+H"	84.054008
"993642"	171.185576	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+2ACN+2H"	84.067652
"1588144"	343.272128	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+K+HCOOH"	84.968628
"1424748"	373.303638	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+H+CF3COOH"	115.000138
"1156128"	191.698851	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+3ACN+2H"	125.094202
"1707869"	390.330185	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+NH4+CF3COOH"	132.026685
"1638051"	395.28558	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+Na+CF3COOH"	136.98208
"1575888"	411.25952	"C11733"	"Decamethonium"	"C16H38N2"	"258.3035"	"M+K+CF3COOH"	152.95602
"812815"	411.1417	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M"	0
"983068"	392.12331	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-H2O-H"	-19.01839
"69123"	273.087190666667	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M-3H"	-3.021828
"513056"	410.134424	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M-3H"	-3.021828
"881380"	136.039957333333	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-3H"	-3.021828
"6150"	410.134424	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M-2H"	-2.014552
"451183"	615.705274	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M-2H"	-2.014552
"827889"	204.563574	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-2H"	-2.014552
"91895"	821.276124	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M-H"	-1.007276
"533768"	1232.417824	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M-H"	-1.007276
"900872"	410.134424	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-H"	-1.007276
"55246"	838.302671	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M-2H+NH4"	16.019271
"492623"	1249.444371	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M-2H+NH4"	16.019271
"870424"	427.160971	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-2H+NH4"	16.019271
"36141"	843.258066	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M-2H+Na"	20.974666
"474243"	1254.399766	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M-2H+Na"	20.974666
"857883"	432.116366	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-2H+Na"	20.974666
"1625229"	432.116366	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Na-2H"	20.974666
"98478"	428.122763	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M-H+Cl"	33.962126
"536945"	633.693613	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M-H+Cl"	33.962126
"927542"	222.551913	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-H+Cl"	33.962126
"270107"	857.252802	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+Cl"	34.969402
"660706"	1268.394502	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+Cl"	34.969402
"1272874"	446.111102	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Cl"	34.969402
"19676"	859.232006	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M-2H+K"	36.948606
"458144"	1270.373706	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M-2H+K"	36.948606
"842509"	448.090306	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-2H+K"	36.948606
"1556158"	448.090306	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+K-2H"	36.948606
"949515"	456.139894	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-H+HCOOH"	44.998194
"366635"	867.281601	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+HCOOH-H"	44.998201
"349060"	881.297251	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+Hac-H"	59.013851
"1497162"	470.155551	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Hac-H"	59.013851
"959964"	478.121851	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-H+NaCOOH"	66.980151
"114702"	446.111102	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+2Cl"	69.938804
"559738"	651.681952	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+2Cl"	69.938804
"1023433"	240.540252	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2Cl"	69.938804
"1243738"	490.060585	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Br"	78.918885
"1306552"	492.116572	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Cl+HCOOH"	80.974872
"1321496"	514.098529	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Cl+NaCOOH"	102.956829
"913647"	524.127286	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M-H+CF3COOH"	112.985586
"1291814"	560.103964	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Cl+CF3COOH"	148.962264
"1368519"	376.129024	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H-2H2O"	-35.012676
"1388203"	394.139	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H-H2O"	-17.0027
"287888"	823.290676	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+H"	1.007276
"680309"	1234.432376	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+H"	1.007276
"1356659"	412.148976	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H"	1.007276
"129550"	412.148976	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+2H"	2.014552
"575312"	617.719826	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+2H"	2.014552
"1049946"	206.578126	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2H"	2.014552
"216384"	275.101742666667	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+3H"	3.021828
"657530"	412.148976	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+3H"	3.021828
"1174076"	138.054509333333	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+3H"	3.021828
"432243"	840.317223	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+NH4"	18.033823
"797978"	1251.458923	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+NH4"	18.033823
"1691392"	429.175523	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+NH4"	18.033823
"335661"	420.6622495	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+H+NH4"	19.041099
"726988"	626.2330995	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+H+NH4"	19.041099
"1485912"	215.0913995	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H+NH4"	19.041099
"400586"	845.272618	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+Na"	22.989218
"758301"	1256.414318	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+Na"	22.989218
"1609677"	434.130918	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Na"	22.989218
"318621"	423.139947	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+H+Na"	23.996494
"712135"	628.710797	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+H+Na"	23.996494
"1468145"	217.569097	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H+Na"	23.996494
"1066493"	145.381823333333	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2H+Na"	25.00377
"1270721"	444.175186	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+CH3OH+H"	33.033486
"382734"	861.246558	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+K"	38.963158
"747011"	1272.388258	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+K"	38.963158
"1547978"	450.104858	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+K"	38.963158
"304060"	431.126917	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+H+K"	39.970434
"698670"	636.697767	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+H+K"	39.970434
"1456864"	225.556067	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H+K"	39.970434
"244371"	864.317226	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+ACN+H"	42.033826
"1217084"	453.175526	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+ACN+H"	42.033826
"1204244"	227.091401	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+ACN+2H"	43.041102
"197114"	867.25456	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+2Na-H"	44.97116
"634487"	1278.39626	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+2Na-H"	44.97116
"1135807"	456.11286	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2Na-H"	44.97116
"176913"	434.130918	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+2Na"	45.978436
"615381"	639.701768	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+2Na"	45.978436
"1121077"	228.560068	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2Na"	45.978436
"1403506"	152.709137333333	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H+2Na"	46.985712
"1432339"	458.154446	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H+HCOOH"	47.012746
"222033"	439.16394	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+3H2O+2H"	56.04448
"1517757"	472.20649	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+IsoProp+H"	61.06479
"414163"	442.117888	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+Na+K"	61.952376
"779531"	647.688738	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+Na+K"	61.952376
"1675861"	236.547038	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Na+K"	61.952376
"260923"	886.299168	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+ACN+Na"	64.015768
"1236181"	475.157468	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+ACN+Na"	64.015768
"1721786"	475.180993	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+NH4+HCOOH"	64.039293
"1183859"	160.036451333333	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+3Na"	68.967654
"1654844"	480.136388	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Na+HCOOH"	68.994688
"164989"	899.20244	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+2K-H"	76.91904
"607830"	1310.34414	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+2K-H"	76.91904
"1095624"	488.06074	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2K-H"	76.91904
"146972"	450.104858	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"2M+2K"	77.926316
"583256"	655.675708	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"3M+2K"	77.926316
"1069591"	244.534008	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2K"	77.926316
"1104264"	490.075292	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2K+H"	78.933592
"1340648"	490.162907	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+DMSO+H"	79.021207
"1007352"	494.202076	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2ACN+H"	83.060376
"1528398"	495.195708	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+IsoProp+Na+H"	84.054008
"993752"	247.604676	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+2ACN+2H"	84.067652
"1587201"	496.110328	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+K+HCOOH"	84.968628
"1425951"	526.141838	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+H+CF3COOH"	115.000138
"1159518"	268.117951	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+3ACN+2H"	125.094202
"1709073"	543.168385	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+NH4+CF3COOH"	132.026685
"1638161"	548.12378	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+Na+CF3COOH"	136.98208
"1572718"	564.09772	"C11734"	"Altanserin"	"C22H22FN3O2S"	"411.1417"	"M+K+CF3COOH"	152.95602
"806365"	103.0633	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M"	0
"979899"	84.04491	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"71421"	67.7015906666667	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"508794"	102.056024	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"884408"	33.3471573333333	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"8448"	102.056024	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"454573"	153.587674	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"825813"	50.524374	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"92736"	205.119324	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"532417"	308.182624	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"900982"	102.056024	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"53169"	222.145871	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"490546"	325.209171	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"867619"	119.082571	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"32969"	227.101266	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"481283"	330.164566	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"859086"	124.037966	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1628621"	124.037966	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"98589"	120.044363	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"537055"	171.576013	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"930567"	68.512713	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"271313"	241.096002	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"663734"	344.159302	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1276137"	138.032702	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"21973"	243.075206	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"458257"	346.138506	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"839340"	140.011906	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1556630"	140.011906	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"947438"	148.061494	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"364922"	251.124801	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"349170"	265.140451	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1496544"	162.077151	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"960074"	170.043451	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"115906"	138.032702	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"559851"	189.564352	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1022450"	86.501052	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1243486"	181.982185	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1305206"	184.038172	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1320009"	206.020129	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"911934"	216.048886	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1290103"	252.025564	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1369722"	68.050624	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1388313"	86.0606	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"285812"	207.133876	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"680420"	310.197176	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1356771"	104.070576	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"132942"	104.070576	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"575788"	155.602226	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1045678"	52.538926	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"214307"	69.7161426666667	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"656424"	104.070576	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1174187"	35.3617093333333	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"433447"	224.160423	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"796632"	327.223723	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1693690"	121.097123	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"335772"	112.5838495	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"731473"	164.1154995	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1485293"	61.0521995	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"401788"	229.115818	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"758412"	332.179118	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1610882"	126.052518	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"324198"	115.061547	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"716619"	166.593197	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1470443"	63.529897	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1067330"	42.6890233333333	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1270831"	136.096786	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"385033"	245.089758	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"747122"	348.153058	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1553192"	142.026458	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"305266"	123.048517	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"702061"	174.580167	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1454788"	71.516867	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"244485"	248.160426	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1213914"	145.097126	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1201075"	73.052201	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"191756"	251.09776	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"632411"	354.16106	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1133487"	148.03446	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"174106"	126.052518	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"613908"	177.584168	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1118997"	74.520868	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1402524"	50.0163373333333	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1433547"	150.076046	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"220565"	131.08554	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1514587"	164.12809	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"413180"	134.039488	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"777454"	185.571138	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1673785"	82.507838	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"254836"	270.142368	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1235200"	167.079068	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1720804"	167.102593	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1185063"	57.3436513333333	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1656049"	172.057988	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"166194"	283.04564	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"607941"	386.10894	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1090267"	179.98234	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"145990"	142.026458	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"585916"	193.558108	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1071161"	90.494808	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1102187"	181.996892	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1338934"	182.084507	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1008557"	186.123676	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1527415"	187.117308	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"992041"	93.565476	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1587636"	188.031928	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1421688"	218.063438	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1156348"	114.078751	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1703712"	235.089985	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1644832"	240.04538	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1572828"	256.01932	"C11735"	"N-Ethylglycine"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"806475"	246.0652	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M"	0
"980009"	227.04681	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-H2O-H"	-19.01839
"67157"	163.036190666667	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M-3H"	-3.021828
"508904"	245.057924	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M-3H"	-3.021828
"884518"	81.0144573333333	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-3H"	-3.021828
"5279"	245.057924	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M-2H"	-2.014552
"445933"	368.090524	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M-2H"	-2.014552
"825923"	122.025324	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-2H"	-2.014552
"93452"	491.123124	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M-H"	-1.007276
"532648"	737.188324	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M-H"	-1.007276
"902185"	245.057924	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-H"	-1.007276
"54371"	508.149671	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M-2H+NH4"	16.019271
"490656"	754.214871	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M-2H+NH4"	16.019271
"866273"	262.084471	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-2H+NH4"	16.019271
"33444"	513.105066	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M-2H+Na"	20.974666
"473127"	759.170266	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M-2H+Na"	20.974666
"861383"	267.039866	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-2H+Na"	20.974666
"1630918"	267.039866	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Na-2H"	20.974666
"105259"	263.046263	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M-H+Cl"	33.962126
"540445"	386.078863	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M-H+Cl"	33.962126
"929949"	140.013663	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-H+Cl"	33.962126
"270330"	527.099802	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+Cl"	34.969402
"667124"	773.165002	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+Cl"	34.969402
"1276247"	281.034602	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Cl"	34.969402
"22083"	529.079006	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M-2H+K"	36.948606
"461647"	775.144206	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M-2H+K"	36.948606
"839450"	283.013806	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-2H+K"	36.948606
"1558199"	283.013806	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+K-2H"	36.948606
"947183"	291.063394	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-H+HCOOH"	44.998194
"367949"	537.128601	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+HCOOH-H"	44.998201
"349280"	551.144251	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+Hac-H"	59.013851
"1497018"	305.079051	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Hac-H"	59.013851
"960548"	313.045351	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-H+NaCOOH"	66.980151
"116016"	281.034602	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+2Cl"	69.938804
"558867"	404.067202	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+2Cl"	69.938804
"1026570"	158.002002	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2Cl"	69.938804
"1243231"	324.984085	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Br"	78.918885
"1307869"	327.040072	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Cl+HCOOH"	80.974872
"1321352"	349.022029	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Cl+NaCOOH"	102.956829
"913504"	359.050786	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M-H+CF3COOH"	112.985586
"1294953"	395.027464	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Cl+CF3COOH"	148.962264
"1374207"	211.052524	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H-2H2O"	-35.012676
"1388423"	229.0625	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H-H2O"	-17.0027
"288110"	493.137676	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+H"	1.007276
"681625"	739.202876	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+H"	1.007276
"1360891"	247.072476	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H"	1.007276
"133052"	247.072476	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+2H"	2.014552
"576991"	370.105076	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+2H"	2.014552
"1048705"	124.039876	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2H"	2.014552
"214782"	165.050742666667	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+3H"	3.021828
"655441"	247.072476	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+3H"	3.021828
"1175392"	83.0290093333333	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+3H"	3.021828
"438176"	510.164223	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+NH4"	18.033823
"792367"	756.229423	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+NH4"	18.033823
"1695625"	264.099023	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+NH4"	18.033823
"335882"	255.5857495	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+H+NH4"	19.041099
"731585"	378.6183495	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+H+NH4"	19.041099
"1486498"	132.5531495	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H+NH4"	19.041099
"397523"	515.119618	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+Na"	22.989218
"760707"	761.184818	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+Na"	22.989218
"1609898"	269.054418	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Na"	22.989218
"325401"	258.063447	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+H+Na"	23.996494
"718914"	381.096047	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+H+Na"	23.996494
"1471640"	135.030847	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H+Na"	23.996494
"1064889"	90.3563233333333	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2H+Na"	25.00377
"1269848"	279.098686	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+CH3OH+H"	33.033486
"382955"	531.093558	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+K"	38.963158
"750513"	777.158758	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+K"	38.963158
"1544909"	285.028358	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+K"	38.963158
"305376"	266.050417	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+H+K"	39.970434
"701078"	389.083017	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+H+K"	39.970434
"1455991"	143.017817	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H+K"	39.970434
"248967"	534.164226	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+ACN+H"	42.033826
"1213294"	288.099026	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+ACN+H"	42.033826
"1201185"	144.553151	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+ACN+2H"	43.041102
"192962"	537.10156	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+2Na-H"	44.97116
"631428"	783.16676	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+2Na-H"	44.97116
"1132990"	291.03636	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2Na-H"	44.97116
"174095"	269.054418	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+2Na"	45.978436
"614505"	392.087018	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+2Na"	45.978436
"1119107"	146.021818	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2Na"	45.978436
"1402634"	97.6836373333333	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H+2Na"	46.985712
"1433656"	293.077946	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H+HCOOH"	47.012746
"221162"	274.08744	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+3H2O+2H"	56.04448
"1513601"	307.12999	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+IsoProp+H"	61.06479
"413290"	277.041388	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+Na+K"	61.952376
"774284"	400.073988	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+Na+K"	61.952376
"1672802"	154.008788	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Na+K"	61.952376
"254946"	556.146168	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+ACN+Na"	64.015768
"1235310"	310.080968	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+ACN+Na"	64.015768
"1720914"	310.104493	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+NH4+HCOOH"	64.039293
"1185173"	105.010951333333	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+3Na"	68.967654
"1656159"	315.059888	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Na+HCOOH"	68.994688
"165211"	569.04944	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+2K-H"	76.91904
"604771"	815.11464	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+2K-H"	76.91904
"1091472"	322.98424	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2K-H"	76.91904
"145007"	285.028358	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"2M+2K"	77.926316
"583113"	408.060958	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"3M+2K"	77.926316
"1071999"	161.995758	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2K"	77.926316
"1101568"	324.998792	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2K+H"	78.933592
"1339774"	325.086407	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+DMSO+H"	79.021207
"1008304"	329.125576	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2ACN+H"	83.060376
"1526432"	330.119208	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+IsoProp+Na+H"	84.054008
"992151"	165.066426	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+2ACN+2H"	84.067652
"1587747"	331.033828	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+K+HCOOH"	84.968628
"1422890"	361.065338	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+H+CF3COOH"	115.000138
"1153177"	185.579701	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+3ACN+2H"	125.094202
"1703822"	378.091885	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+NH4+CF3COOH"	132.026685
"1643849"	383.04728	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+Na+CF3COOH"	136.98208
"1572938"	399.02122	"C11736"	"5-Fluorodeoxyuridine;Floxuridine"	"C9H11FN2O5"	"246.0652"	"M+K+CF3COOH"	152.95602
"809865"	477.1648	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M"	0
"983399"	458.14641	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-H2O-H"	-19.01839
"69454"	317.102590666667	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M-3H"	-3.021828
"505733"	476.157524	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M-3H"	-3.021828
"883534"	158.047657333333	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-3H"	-3.021828
"7576"	476.157524	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M-2H"	-2.014552
"447136"	714.739924	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M-2H"	-2.014552
"830409"	237.575124	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-2H"	-2.014552
"90402"	953.322324	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M-H"	-1.007276
"532029"	1430.487124	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M-H"	-1.007276
"901202"	476.157524	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-H"	-1.007276
"52296"	970.348871	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M-2H+NH4"	16.019271
"491859"	1447.513671	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M-2H+NH4"	16.019271
"870755"	493.184071	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-2H+NH4"	16.019271
"34039"	975.304266	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M-2H+Na"	20.974666
"476396"	1452.469066	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M-2H+Na"	20.974666
"863679"	498.139466	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-2H+Na"	20.974666
"1628841"	498.139466	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Na-2H"	20.974666
"108649"	494.145863	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M-H+Cl"	33.962126
"540555"	732.728263	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M-H+Cl"	33.962126
"930789"	255.563463	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-H+Cl"	33.962126
"273720"	989.299002	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+Cl"	34.969402
"665048"	1466.463802	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+Cl"	34.969402
"1274169"	512.134202	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Cl"	34.969402
"18184"	991.278206	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M-2H+K"	36.948606
"459568"	1468.443006	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M-2H+K"	36.948606
"840653"	514.113406	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-2H+K"	36.948606
"1559770"	514.113406	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+K-2H"	36.948606
"946565"	522.162994	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-H+HCOOH"	44.998194
"373525"	999.327801	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+HCOOH-H"	44.998201
"352306"	1013.343451	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+Hac-H"	59.013851
"1500044"	536.178651	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Hac-H"	59.013851
"961387"	544.144951	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-H+NaCOOH"	66.980151
"118313"	512.134202	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+2Cl"	69.938804
"558613"	750.716602	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+2Cl"	69.938804
"1025955"	273.551802	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2Cl"	69.938804
"1248811"	556.083685	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Br"	78.918885
"1308343"	558.139672	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Cl+HCOOH"	80.974872
"1323288"	580.121629	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Cl+NaCOOH"	102.956829
"915804"	590.150386	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M-H+CF3COOH"	112.985586
"1292148"	626.127064	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Cl+CF3COOH"	148.962264
"1374318"	442.152124	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H-2H2O"	-35.012676
"1390720"	460.1621	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H-H2O"	-17.0027
"286034"	955.336876	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+H"	1.007276
"681736"	1432.501676	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+H"	1.007276
"1361002"	478.172076	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H"	1.007276
"138266"	478.172076	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+2H"	2.014552
"577831"	716.754476	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+2H"	2.014552
"1050638"	239.589676	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2H"	2.014552
"212340"	319.117142666667	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+3H"	3.021828
"657376"	478.172076	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+3H"	3.021828
"1174772"	160.062209333333	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+3H"	3.021828
"437314"	972.363423	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+NH4"	18.033823
"797945"	1449.528223	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+NH4"	18.033823
"1696748"	495.198623	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+NH4"	18.033823
"340366"	486.6853495	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+H+NH4"	19.041099
"732788"	725.2677495	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+H+NH4"	19.041099
"1487701"	248.1029495	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H+NH4"	19.041099
"396540"	977.318818	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+Na"	22.989218
"761911"	1454.483618	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+Na"	22.989218
"1612194"	500.154018	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Na"	22.989218
"324417"	489.163047	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+H+Na"	23.996494
"719024"	727.745447	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+H+Na"	23.996494
"1471750"	250.580647	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H+Na"	23.996494
"1067186"	167.389523333333	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2H+Na"	25.00377
"1271782"	510.198286	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+CH3OH+H"	33.033486
"386347"	993.292758	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+K"	38.963158
"753661"	1470.457558	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+K"	38.963158
"1547205"	516.127958	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+K"	38.963158
"310953"	497.150017	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+H+K"	39.970434
"704468"	735.732417	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+H+K"	39.970434
"1459382"	258.567617	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H+K"	39.970434
"249079"	996.363426	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+ACN+H"	42.033826
"1213040"	519.198626	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+ACN+H"	42.033826
"1203484"	260.102951	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+ACN+2H"	43.041102
"195258"	999.30076	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+2Na-H"	44.97116
"632631"	1476.46556	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+2Na-H"	44.97116
"1133584"	522.13596	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2Na-H"	44.97116
"175177"	500.154018	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+2Na"	45.978436
"614371"	738.736418	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+2Na"	45.978436
"1120310"	261.571618	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2Na"	45.978436
"1404930"	174.716837333333	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H+2Na"	46.985712
"1433767"	524.177546	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H+HCOOH"	47.012746
"224551"	505.18704	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+3H2O+2H"	56.04448
"1512617"	538.22959	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+IsoProp+H"	61.06479
"412304"	508.140988	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+Na+K"	61.952376
"776583"	746.723388	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+Na+K"	61.952376
"1674006"	269.558588	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Na+K"	61.952376
"257243"	1018.345368	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+ACN+Na"	64.015768
"1233232"	541.180568	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+ACN+Na"	64.015768
"1722117"	541.204093	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+NH4+HCOOH"	64.039293
"1185283"	182.044151333333	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+3Na"	68.967654
"1659549"	546.159488	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Na+HCOOH"	68.994688
"165321"	1031.24864	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+2K-H"	76.91904
"602695"	1508.41344	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+2K-H"	76.91904
"1091583"	554.08384	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2K-H"	76.91904
"148397"	516.127958	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"2M+2K"	77.926316
"584682"	754.710358	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"3M+2K"	77.926316
"1072474"	277.545558	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2K"	77.926316
"1102406"	556.098392	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2K+H"	78.933592
"1342071"	556.186007	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+DMSO+H"	79.021207
"1008414"	560.225176	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2ACN+H"	83.060376
"1526902"	561.218808	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+IsoProp+Na+H"	84.054008
"997365"	280.616226	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+2ACN+2H"	84.067652
"1591868"	562.133428	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+K+HCOOH"	84.968628
"1421906"	592.164938	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+H+CF3COOH"	115.000138
"1153287"	301.129501	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+3ACN+2H"	125.094202
"1701744"	609.191485	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+NH4+CF3COOH"	132.026685
"1645052"	614.14688	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+Na+CF3COOH"	136.98208
"1573048"	630.12082	"C11737"	"CB3717"	"C24H23N5O6"	"477.1648"	"M+K+CF3COOH"	152.95602
"809975"	196.0767	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M"	0
"981321"	177.05831	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-H2O-H"	-19.01839
"65553"	129.710524	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M-3H"	-3.021828
"505843"	195.069424	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M-3H"	-3.021828
"883279"	64.351624	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-3H"	-3.021828
"6592"	195.069424	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M-2H"	-2.014552
"447246"	293.107774	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M-2H"	-2.014552
"830518"	97.031074	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-2H"	-2.014552
"90512"	391.146124	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M-H"	-1.007276
"531164"	587.222824	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M-H"	-1.007276
"901314"	195.069424	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-H"	-1.007276
"54595"	408.172671	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M-2H+NH4"	16.019271
"495251"	604.249371	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M-2H+NH4"	16.019271
"874145"	212.095971	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-2H+NH4"	16.019271
"37675"	413.128066	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M-2H+Na"	20.974666
"477235"	609.204766	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M-2H+Na"	20.974666
"860509"	217.051366	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-2H+Na"	20.974666
"1632842"	217.051366	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Na-2H"	20.974666
"108399"	213.057763	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M-H+Cl"	33.962126
"542853"	311.096113	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M-H+Cl"	33.962126
"931993"	115.019413	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-H+Cl"	33.962126
"273830"	427.122802	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+Cl"	34.969402
"667345"	623.199502	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+Cl"	34.969402
"1275740"	231.046102	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Cl"	34.969402
"19025"	429.102006	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M-2H+K"	36.948606
"459679"	625.178706	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M-2H+K"	36.948606
"838575"	233.025306	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-2H+K"	36.948606
"1560971"	233.025306	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+K-2H"	36.948606
"953963"	241.074894	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-H+HCOOH"	44.998194
"373272"	437.151601	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+HCOOH-H"	44.998201
"355332"	451.167251	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+Hac-H"	59.013851
"1500154"	255.090551	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Hac-H"	59.013851
"961498"	263.056851	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-H+NaCOOH"	66.980151
"118423"	231.046102	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+2Cl"	69.938804
"559087"	329.084452	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+2Cl"	69.938804
"1030075"	133.007752	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2Cl"	69.938804
"1245279"	274.995585	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Br"	78.918885
"1310275"	277.051572	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Cl+HCOOH"	80.974872
"1323762"	299.033529	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Cl+NaCOOH"	102.956829
"915914"	309.062286	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M-H+CF3COOH"	112.985586
"1297361"	345.038964	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Cl+CF3COOH"	148.962264
"1374428"	161.064024	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H-2H2O"	-35.012676
"1393746"	179.074	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H-H2O"	-17.0027
"288695"	393.160676	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+H"	1.007276
"682939"	589.237376	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+H"	1.007276
"1361112"	197.083976	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H"	1.007276
"138012"	197.083976	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+2H"	2.014552
"579034"	295.122326	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+2H"	2.014552
"1050748"	99.045626	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2H"	2.014552
"215000"	131.725076	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+3H"	3.021828
"657123"	197.083976	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+3H"	3.021828
"1175976"	66.366176	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+3H"	3.021828
"438154"	410.187223	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+NH4"	18.033823
"796962"	606.263923	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+NH4"	18.033823
"1696573"	214.110523	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+NH4"	18.033823
"339384"	205.5972495	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+H+NH4"	19.041099
"731806"	303.6355995	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+H+NH4"	19.041099
"1485625"	107.5588995	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H+NH4"	19.041099
"398837"	415.142618	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+Na"	22.989218
"763113"	611.219318	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+Na"	22.989218
"1611210"	219.065918	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Na"	22.989218
"326713"	208.074947	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+H+Na"	23.996494
"718041"	306.113297	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+H+Na"	23.996494
"1470767"	110.036597	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H+Na"	23.996494
"1067986"	73.69349	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2H+Na"	25.00377
"1272098"	229.110186	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+CH3OH+H"	33.033486
"388643"	431.116558	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+K"	38.963158
"751826"	627.193258	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+K"	38.963158
"1546222"	235.039858	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+K"	38.963158
"305595"	216.061917	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+H+K"	39.970434
"704578"	314.100267	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+H+K"	39.970434
"1460464"	118.023567	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H+K"	39.970434
"250159"	434.187226	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+ACN+H"	42.033826
"1217524"	238.110526	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+ACN+H"	42.033826
"1205780"	119.558901	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+ACN+2H"	43.041102
"193182"	437.12456	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+2Na-H"	44.97116
"632377"	633.20126	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+2Na-H"	44.97116
"1133454"	241.04786	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2Na-H"	44.97116
"179541"	219.065918	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+2Na"	45.978436
"615821"	317.104268	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+2Na"	45.978436
"1124795"	121.027568	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2Na"	45.978436
"1410506"	81.020804	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H+2Na"	46.985712
"1440435"	243.089446	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H+HCOOH"	47.012746
"225754"	224.09894	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+3H2O+2H"	56.04448
"1516006"	257.14149	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+IsoProp+H"	61.06479
"416786"	227.052888	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+Na+K"	61.952376
"775598"	325.091238	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+Na+K"	61.952376
"1673022"	129.014538	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Na+K"	61.952376
"257354"	456.169168	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+ACN+Na"	64.015768
"1235529"	260.092468	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+ACN+Na"	64.015768
"1723320"	260.115993	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+NH4+HCOOH"	64.039293
"1186486"	88.348118	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+3Na"	68.967654
"1660752"	265.071388	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Na+HCOOH"	68.994688
"164337"	469.07244	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+2K-H"	76.91904
"604991"	665.14914	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+2K-H"	76.91904
"1093879"	272.99574	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2K-H"	76.91904
"147414"	235.039858	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"2M+2K"	77.926316
"584062"	333.078208	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"3M+2K"	77.926316
"1071855"	137.001508	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2K"	77.926316
"1105798"	275.010292	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2K+H"	78.933592
"1339265"	275.097907	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+DMSO+H"	79.021207
"1010711"	279.137076	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2ACN+H"	83.060376
"1527744"	280.130708	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+IsoProp+Na+H"	84.054008
"997475"	140.072176	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+2ACN+2H"	84.067652
"1591978"	281.045328	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+K+HCOOH"	84.968628
"1425296"	311.076838	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+H+CF3COOH"	115.000138
"1153397"	160.585451	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+3ACN+2H"	125.094202
"1701854"	328.103385	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+NH4+CF3COOH"	132.026685
"1645162"	333.05878	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+Na+CF3COOH"	136.98208
"1572062"	349.03272	"C11738"	"m-Chlorophenylpiperazine;1-(3-Chlorophenyl)piperazine;mCPP"	"C10H13ClN2"	"196.0767"	"M+K+CF3COOH"	152.95602
"806805"	266.1168	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M"	0
"978151"	247.09841	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-H2O-H"	-19.01839
"63718"	176.403924	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M-3H"	-3.021828
"504860"	265.109524	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M-3H"	-3.021828
"882661"	87.698324	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-3H"	-3.021828
"3422"	265.109524	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M-2H"	-2.014552
"447356"	398.167924	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M-2H"	-2.014552
"830264"	132.051124	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-2H"	-2.014552
"89526"	531.226324	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M-H"	-1.007276
"527991"	797.343124	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M-H"	-1.007276
"900331"	265.109524	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-H"	-1.007276
"52518"	548.252871	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M-2H+NH4"	16.019271
"493173"	814.369671	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M-2H+NH4"	16.019271
"866601"	282.136071	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-2H+NH4"	16.019271
"37785"	553.208266	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M-2H+Na"	20.974666
"476615"	819.325066	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M-2H+Na"	20.974666
"860619"	287.091466	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-2H+Na"	20.974666
"1631979"	287.091466	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Na-2H"	20.974666
"108868"	283.097863	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M-H+Cl"	33.962126
"539683"	416.156263	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M-H+Cl"	33.962126
"931010"	150.039463	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-H+Cl"	33.962126
"273940"	567.203002	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+Cl"	34.969402
"667455"	833.319802	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+Cl"	34.969402
"1276579"	301.086202	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Cl"	34.969402
"19135"	569.182206	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M-2H+K"	36.948606
"457602"	835.299006	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M-2H+K"	36.948606
"834674"	303.065406	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-2H+K"	36.948606
"1560352"	303.065406	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+K-2H"	36.948606
"952980"	311.114994	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-H+HCOOH"	44.998194
"372289"	577.231801	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+HCOOH-H"	44.998201
"349609"	591.247451	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+Hac-H"	59.013851
"1500264"	325.130651	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Hac-H"	59.013851
"962336"	333.096951	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-H+NaCOOH"	66.980151
"115617"	301.086202	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+2Cl"	69.938804
"560291"	434.144602	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+2Cl"	69.938804
"1030183"	168.027802	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2Cl"	69.938804
"1249760"	345.035685	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Br"	78.918885
"1309292"	347.091672	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Cl+HCOOH"	80.974872
"1324235"	369.073629	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Cl+NaCOOH"	102.956829
"917846"	379.102386	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M-H+CF3COOH"	112.985586
"1298564"	415.079064	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Cl+CF3COOH"	148.962264
"1374539"	231.104124	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H-2H2O"	-35.012676
"1396045"	249.1141	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H-H2O"	-17.0027
"289534"	533.240876	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+H"	1.007276
"684871"	799.357676	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+H"	1.007276
"1364139"	267.124076	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H"	1.007276
"136300"	267.124076	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+2H"	2.014552
"579874"	400.182476	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+2H"	2.014552
"1049035"	134.065676	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2H"	2.014552
"211830"	178.418476	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+3H"	3.021828
"657960"	267.124076	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+3H"	3.021828
"1175721"	89.712876	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+3H"	3.021828
"438264"	550.267423	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+NH4"	18.033823
"798895"	816.384223	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+NH4"	18.033823
"1695955"	284.150623	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+NH4"	18.033823
"340587"	275.6373495	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+H+NH4"	19.041099
"734103"	408.6957495	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+H+NH4"	19.041099
"1485735"	142.5789495	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H+NH4"	19.041099
"401134"	555.222818	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+Na"	22.989218
"759943"	821.339618	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+Na"	22.989218
"1610227"	289.106018	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Na"	22.989218
"323544"	278.115047	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+H+Na"	23.996494
"718151"	411.173447	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+H+Na"	23.996494
"1470877"	145.056647	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H+Na"	23.996494
"1066313"	97.04019	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2H+Na"	25.00377
"1270179"	299.150286	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+CH3OH+H"	33.033486
"389846"	571.196758	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+K"	38.963158
"749749"	837.313558	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+K"	38.963158
"1543052"	305.079958	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+K"	38.963158
"306798"	286.102017	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+H+K"	39.970434
"704688"	419.160417	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+H+K"	39.970434
"1461146"	153.043617	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H+K"	39.970434
"250390"	574.267426	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+ACN+H"	42.033826
"1222008"	308.150626	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+ACN+H"	42.033826
"1208805"	154.578951	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+ACN+2H"	43.041102
"192198"	577.20476	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+2Na-H"	44.97116
"631030"	843.32156	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+2Na-H"	44.97116
"1131512"	311.08796	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2Na-H"	44.97116
"173493"	289.106018	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+2Na"	45.978436
"612968"	422.164418	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+2Na"	45.978436
"1119437"	156.047618	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2Na"	45.978436
"1404054"	104.367504	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H+2Na"	46.985712
"1441638"	313.129546	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H+HCOOH"	47.012746
"224771"	294.13904	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+3H2O+2H"	56.04448
"1515022"	327.18159	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+IsoProp+H"	61.06479
"416896"	297.092988	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+Na+K"	61.952376
"774615"	430.151388	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+Na+K"	61.952376
"1672035"	164.034588	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Na+K"	61.952376
"258556"	596.249368	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+ACN+Na"	64.015768
"1235639"	330.132568	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+ACN+Na"	64.015768
"1723430"	330.156093	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+NH4+HCOOH"	64.039293
"1183314"	111.694818	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+3Na"	68.967654
"1658311"	335.111488	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Na+HCOOH"	68.994688
"164446"	609.15264	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+2K-H"	76.91904
"605098"	875.26944	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+2K-H"	76.91904
"1088522"	343.03584	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2K-H"	76.91904
"145337"	305.079958	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"2M+2K"	77.926316
"583808"	438.138358	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"3M+2K"	77.926316
"1071964"	172.021558	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2K"	77.926316
"1105908"	345.050392	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2K+H"	78.933592
"1337918"	345.138007	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+DMSO+H"	79.021207
"1010821"	349.177176	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2ACN+H"	83.060376
"1528947"	350.170808	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+IsoProp+Na+H"	84.054008
"998678"	175.092226	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+2ACN+2H"	84.067652
"1593181"	351.085428	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+K+HCOOH"	84.968628
"1425406"	381.116938	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+H+CF3COOH"	115.000138
"1153507"	195.605501	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+3ACN+2H"	125.094202
"1703057"	398.143485	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+NH4+CF3COOH"	132.026685
"1645272"	403.09888	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+Na+CF3COOH"	136.98208
"1571809"	419.07282	"C11739"	"SB 200646;N-(1-Methyl-5-indolyl)-N-(3-pyridyl)urea"	"C15H14N4O"	"266.1168"	"M+K+CF3COOH"	152.95602
"808008"	292.1324	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M"	0
"977168"	273.11401	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-H2O-H"	-19.01839
"65409"	193.747657333333	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M-3H"	-3.021828
"504970"	291.125124	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M-3H"	-3.021828
"887145"	96.3701906666667	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-3H"	-3.021828
"5719"	291.125124	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M-2H"	-2.014552
"447466"	437.191324	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M-2H"	-2.014552
"828553"	145.058924	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-2H"	-2.014552
"89637"	583.257524	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M-H"	-1.007276
"528101"	875.389924	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M-H"	-1.007276
"899347"	291.125124	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-H"	-1.007276
"52628"	600.284071	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M-2H+NH4"	16.019271
"493283"	892.416471	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M-2H+NH4"	16.019271
"867804"	308.151671	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-2H+NH4"	16.019271
"35708"	605.239466	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M-2H+Na"	20.974666
"475632"	897.371866	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M-2H+Na"	20.974666
"857445"	313.107066	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-2H+Na"	20.974666
"1632085"	313.107066	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Na-2H"	20.974666
"108614"	309.113463	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M-H+Cl"	33.962126
"539793"	455.179663	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M-H+Cl"	33.962126
"933307"	163.047263	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-H+Cl"	33.962126
"270770"	619.234202	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+Cl"	34.969402
"670845"	911.366602	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+Cl"	34.969402
"1278876"	327.101802	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Cl"	34.969402
"21432"	621.213406	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M-2H+K"	36.948606
"458804"	913.345806	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M-2H+K"	36.948606
"833082"	329.081006	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-2H+K"	36.948606
"1562649"	329.081006	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+K-2H"	36.948606
"947617"	337.130594	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-H+HCOOH"	44.998194
"366561"	629.263001	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+HCOOH-H"	44.998201
"350079"	643.278651	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+Hac-H"	59.013851
"1498912"	351.146251	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Hac-H"	59.013851
"964267"	359.112551	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-H+NaCOOH"	66.980151
"113538"	327.101802	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+2Cl"	69.938804
"560400"	473.168002	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+2Cl"	69.938804
"1031386"	181.035602	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2Cl"	69.938804
"1248776"	371.051285	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Br"	78.918885
"1306846"	373.107272	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Cl+HCOOH"	80.974872
"1322887"	395.089229	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Cl+NaCOOH"	102.956829
"917591"	405.117986	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M-H+CF3COOH"	112.985586
"1295394"	441.094664	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Cl+CF3COOH"	148.962264
"1377927"	257.119724	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H-2H2O"	-35.012676
"1393967"	275.1297	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H-H2O"	-17.0027
"290737"	585.272076	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+H"	1.007276
"682065"	877.404476	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+H"	1.007276
"1363885"	293.139676	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H"	1.007276
"139692"	293.139676	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+2H"	2.014552
"579621"	439.205876	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+2H"	2.014552
"1049509"	147.073476	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2H"	2.014552
"210847"	195.762209333333	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+3H"	3.021828
"654789"	293.139676	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+3H"	3.021828
"1175101"	98.3847426666667	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+3H"	3.021828
"435093"	602.298623	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+NH4"	18.033823
"796089"	894.431023	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+NH4"	18.033823
"1695335"	310.166223	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+NH4"	18.033823
"335229"	301.6529495	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+H+NH4"	19.041099
"732024"	447.7191495	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+H+NH4"	19.041099
"1482564"	155.5867495	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H+NH4"	19.041099
"399057"	607.254018	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+Na"	22.989218
"761146"	899.386418	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+Na"	22.989218
"1609245"	315.121618	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Na"	22.989218
"323653"	304.130647	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+H+Na"	23.996494
"720448"	450.196847	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+H+Na"	23.996494
"1472080"	158.064447	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H+Na"	23.996494
"1067398"	105.712056666667	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2H+Na"	25.00377
"1270289"	325.165886	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+CH3OH+H"	33.033486
"387771"	623.227958	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+K"	38.963158
"749859"	915.360358	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+K"	38.963158
"1545352"	331.095558	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+K"	38.963158
"306908"	312.117617	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+H+K"	39.970434
"699330"	458.183817	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+H+K"	39.970434
"1457524"	166.051417	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H+K"	39.970434
"242843"	626.298626	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+ACN+H"	42.033826
"1221023"	334.166226	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+ACN+H"	42.033826
"1200531"	167.586751	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+ACN+2H"	43.041102
"190122"	629.23596	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+2Na-H"	44.97116
"630047"	921.36836	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+2Na-H"	44.97116
"1131731"	337.10356	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2Na-H"	44.97116
"173321"	315.121618	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+2Na"	45.978436
"612845"	461.187818	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+2Na"	45.978436
"1119547"	169.055418	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2Na"	45.978436
"1404164"	113.039370666667	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H+2Na"	46.985712
"1440655"	339.145146	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H+HCOOH"	47.012746
"222694"	320.15464	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+3H2O+2H"	56.04448
"1515132"	353.19719	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+IsoProp+H"	61.06479
"418099"	323.108588	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+Na+K"	61.952376
"779097"	469.174788	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+Na+K"	61.952376
"1672144"	177.042388	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Na+K"	61.952376
"261945"	648.280568	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+ACN+Na"	64.015768
"1236842"	356.148168	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+ACN+Na"	64.015768
"1723540"	356.171693	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+NH4+HCOOH"	64.039293
"1188893"	120.366684666667	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+3Na"	68.967654
"1660973"	361.127088	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Na+HCOOH"	68.994688
"163464"	661.18384	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+2K-H"	76.91904
"608489"	953.31624	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+2K-H"	76.91904
"1089727"	369.05144	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2K-H"	76.91904
"146541"	331.095558	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"2M+2K"	77.926316
"582826"	477.161758	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"3M+2K"	77.926316
"1070253"	185.029358	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2K"	77.926316
"1104923"	371.065992	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2K+H"	78.933592
"1339122"	371.153607	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+DMSO+H"	79.021207
"1014212"	375.192776	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2ACN+H"	83.060376
"1525777"	376.186408	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+IsoProp+Na+H"	84.054008
"992591"	188.100026	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+2ACN+2H"	84.067652
"1587335"	377.101028	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+K+HCOOH"	84.968628
"1422236"	407.132538	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+H+CF3COOH"	115.000138
"1152523"	208.613301	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+3ACN+2H"	125.094202
"1700980"	424.159085	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+NH4+CF3COOH"	132.026685
"1645382"	429.11448	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+Na+CF3COOH"	136.98208
"1572648"	445.08842	"C11740"	"SB 206553"	"C17H16N4O"	"292.1324"	"M+K+CF3COOH"	152.95602
"810305"	353.081	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M"	0
"980558"	334.06261	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-H2O-H"	-19.01839
"66613"	234.380057333333	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M-3H"	-3.021828
"505080"	352.073724	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M-3H"	-3.021828
"886162"	116.686390666667	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-3H"	-3.021828
"4735"	352.073724	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M-2H"	-2.014552
"448670"	528.614224	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M-2H"	-2.014552
"829756"	175.533224	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-2H"	-2.014552
"92543"	705.154724	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M-H"	-1.007276
"530398"	1058.235724	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M-H"	-1.007276
"906018"	352.073724	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-H"	-1.007276
"48366"	722.181271	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M-2H+NH4"	16.019271
"491209"	1075.262271	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M-2H+NH4"	16.019271
"867918"	369.100271	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-2H+NH4"	16.019271
"33634"	727.136666	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M-2H+Na"	20.974666
"476473"	1080.217666	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M-2H+Na"	20.974666
"854275"	374.055666	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-2H+Na"	20.974666
"1628184"	374.055666	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Na-2H"	20.974666
"104713"	370.062063	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M-H+Cl"	33.962126
"539905"	546.602563	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M-H+Cl"	33.962126
"932325"	193.521563	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-H+Cl"	33.962126
"276352"	741.131402	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+Cl"	34.969402
"664397"	1094.212402	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+Cl"	34.969402
"1278987"	388.050402	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Cl"	34.969402
"21542"	743.110606	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M-2H+K"	36.948606
"456282"	1096.191606	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M-2H+K"	36.948606
"836717"	390.029606	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-2H+K"	36.948606
"1557291"	390.029606	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+K-2H"	36.948606
"944812"	398.079194	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-H+HCOOH"	44.998194
"362418"	751.160201	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+HCOOH-H"	44.998201
"346423"	765.175851	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+Hac-H"	59.013851
"1493067"	412.094851	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Hac-H"	59.013851
"964013"	420.061151	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-H+NaCOOH"	66.980151
"110731"	388.050402	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+2Cl"	69.938804
"561601"	564.590902	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+2Cl"	69.938804
"1029311"	211.509902	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2Cl"	69.938804
"1249981"	431.999885	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Br"	78.918885
"1308053"	434.055872	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Cl+HCOOH"	80.974872
"1327741"	456.037829	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Cl+NaCOOH"	102.956829
"918066"	466.066586	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M-H+CF3COOH"	112.985586
"1293683"	502.043264	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Cl+CF3COOH"	148.962264
"1374760"	318.068324	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H-2H2O"	-35.012676
"1394079"	336.0783	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H-H2O"	-17.0027
"288664"	707.169276	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+H"	1.007276
"685459"	1060.250276	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+H"	1.007276
"1360717"	354.088276	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H"	1.007276
"136886"	354.088276	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+2H"	2.014552
"575354"	530.628776	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+2H"	2.014552
"1047431"	177.547776	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2H"	2.014552
"210957"	236.394609333333	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+3H"	3.021828
"651619"	354.088276	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+3H"	3.021828
"1167558"	118.700942666667	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+3H"	3.021828
"427548"	724.195823	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+NH4"	18.033823
"788543"	1077.276823	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+NH4"	18.033823
"1684874"	371.114823	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+NH4"	18.033823
"335340"	362.6015495	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+H+NH4"	19.041099
"729947"	539.1420495	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+H+NH4"	19.041099
"1485956"	186.0610495	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H+NH4"	19.041099
"398073"	729.151218	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+Na"	22.989218
"763444"	1082.232218	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+Na"	22.989218
"1611541"	376.070218	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Na"	22.989218
"322669"	365.079247	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+H+Na"	23.996494
"715090"	541.619747	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+H+Na"	23.996494
"1468910"	188.538747	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H+Na"	23.996494
"1062155"	126.028256666667	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2H+Na"	25.00377
"1267111"	386.114486	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+CH3OH+H"	33.033486
"381681"	745.125158	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+K"	38.963158
"753497"	1098.206158	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+K"	38.963158
"1546558"	392.044158	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+K"	38.963158
"305925"	373.066217	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+H+K"	39.970434
"699440"	549.606717	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+H+K"	39.970434
"1455448"	196.525717	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H+K"	39.970434
"240766"	748.195826	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+ACN+H"	42.033826
"1218947"	395.114826	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+ACN+H"	42.033826
"1202828"	198.061051	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+ACN+2H"	43.041102
"192052"	751.13316	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+2Na-H"	44.97116
"631979"	1104.21416	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+2Na-H"	44.97116
"1136576"	398.05216	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2Na-H"	44.97116
"175495"	376.070218	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+2Na"	45.978436
"616148"	552.610718	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+2Na"	45.978436
"1119657"	199.529718	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2Na"	45.978436
"1403181"	133.355570666667	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H+2Na"	46.985712
"1440404"	400.093746	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H+HCOOH"	47.012746
"229367"	381.10324	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+3H2O+2H"	56.04448
"1518525"	414.14579	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+IsoProp+H"	61.06479
"416024"	384.057188	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+Na+K"	61.952376
"775926"	560.597688	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+Na+K"	61.952376
"1674442"	207.516688	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Na+K"	61.952376
"259870"	770.177768	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+ACN+Na"	64.015768
"1238048"	417.096768	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+ACN+Na"	64.015768
"1722558"	417.120293	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+NH4+HCOOH"	64.039293
"1187915"	140.682884666667	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+3Na"	68.967654
"1663274"	422.075688	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Na+HCOOH"	68.994688
"164671"	783.08104	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+2K-H"	76.91904
"608603"	1136.16204	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+2K-H"	76.91904
"1094212"	430.00004	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2K-H"	76.91904
"145560"	392.044158	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"2M+2K"	77.926316
"586211"	568.584658	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"3M+2K"	77.926316
"1074008"	215.503658	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2K"	77.926316
"1102841"	432.014592	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2K+H"	78.933592
"1338500"	432.102207	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+DMSO+H"	79.021207
"1009945"	436.141376	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2ACN+H"	83.060376
"1525888"	437.135008	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+IsoProp+Na+H"	84.054008
"991242"	218.574326	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+2ACN+2H"	84.067652
"1588659"	438.049628	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+K+HCOOH"	84.968628
"1423440"	468.081138	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+H+CF3COOH"	115.000138
"1153728"	239.087601	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+3ACN+2H"	125.094202
"1701090"	485.107685	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+NH4+CF3COOH"	132.026685
"1645492"	490.06308	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+Na+CF3COOH"	136.98208
"1573122"	506.03702	"C11741"	"SB 221284"	"C16H14F3N3OS"	"353.081"	"M+K+CF3COOH"	152.95602
"809322"	431.1257	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M"	0
"977388"	412.10731	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-H2O-H"	-19.01839
"66722"	286.409857333333	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M-3H"	-3.021828
"513936"	430.118424	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M-3H"	-3.021828
"886269"	142.701290666667	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-3H"	-3.021828
"4845"	430.118424	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M-2H"	-2.014552
"448780"	645.681274	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M-2H"	-2.014552
"831688"	214.555574	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-2H"	-2.014552
"93137"	861.244124	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M-H"	-1.007276
"528322"	1292.369824	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M-H"	-1.007276
"901754"	430.118424	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-H"	-1.007276
"50663"	878.270671	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M-2H+NH4"	16.019271
"491319"	1309.396371	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M-2H+NH4"	16.019271
"866934"	447.144971	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-2H+NH4"	16.019271
"34837"	883.226066	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M-2H+Na"	20.974666
"473301"	1314.351766	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M-2H+Na"	20.974666
"851105"	452.100366	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-2H+Na"	20.974666
"1628294"	452.100366	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Na-2H"	20.974666
"102636"	448.106763	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M-H+Cl"	33.962126
"542202"	663.669613	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M-H+Cl"	33.962126
"932435"	232.543913	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-H+Cl"	33.962126
"274273"	897.220802	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+Cl"	34.969402
"668880"	1328.346502	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+Cl"	34.969402
"1281284"	466.095102	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Cl"	34.969402
"21652"	899.200006	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M-2H+K"	36.948606
"462307"	1330.325706	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M-2H+K"	36.948606
"840108"	468.074306	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-2H+K"	36.948606
"1559588"	468.074306	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+K-2H"	36.948606
"946015"	476.123894	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-H+HCOOH"	44.998194
"364959"	907.249601	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+HCOOH-H"	44.998201
"347384"	921.265251	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+Hac-H"	59.013851
"1496216"	490.139551	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Hac-H"	59.013851
"964123"	498.105851	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-H+NaCOOH"	66.980151
"113396"	466.095102	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+2Cl"	69.938804
"558431"	681.657952	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+2Cl"	69.938804
"1031609"	250.532252	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2Cl"	69.938804
"1250093"	510.044585	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Br"	78.918885
"1311446"	512.100572	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Cl+HCOOH"	80.974872
"1326757"	534.082529	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Cl+NaCOOH"	102.956829
"921094"	544.111286	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M-H+CF3COOH"	112.985586
"1294523"	580.087964	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Cl+CF3COOH"	148.962264
"1379972"	396.113024	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H-2H2O"	-35.012676
"1392368"	414.123	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H-H2O"	-17.0027
"294241"	863.258676	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+H"	1.007276
"685571"	1294.384376	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+H"	1.007276
"1364108"	432.132976	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H"	1.007276
"140276"	432.132976	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+2H"	2.014552
"578744"	647.695826	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+2H"	2.014552
"1047541"	216.570126	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2H"	2.014552
"212160"	288.424409333333	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+3H"	3.021828
"652822"	432.132976	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+3H"	3.021828
"1169853"	144.715842666667	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+3H"	3.021828
"428751"	880.285223	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+NH4"	18.033823
"790840"	1311.410923	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+NH4"	18.033823
"1684253"	449.159523	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+NH4"	18.033823
"335450"	440.6462495	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+H+NH4"	19.041099
"730058"	656.2090995	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+H+NH4"	19.041099
"1486067"	225.0833995	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H+NH4"	19.041099
"399276"	885.240618	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+Na"	22.989218
"763553"	1316.366318	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+Na"	22.989218
"1610559"	454.114918	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Na"	22.989218
"322779"	443.123947	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+H+Na"	23.996494
"713014"	658.686797	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+H+Na"	23.996494
"1467927"	227.561097	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H+Na"	23.996494
"1062262"	152.043156666667	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2H+Na"	25.00377
"1268314"	464.159186	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+CH3OH+H"	33.033486
"383614"	901.214558	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+K"	38.963158
"753850"	1332.340258	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+K"	38.963158
"1547761"	470.088858	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+K"	38.963158
"299832"	451.110917	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+H+K"	39.970434
"693712"	666.673767	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+H+K"	39.970434
"1451182"	235.548067	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H+K"	39.970434
"238690"	904.285226	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+ACN+H"	42.033826
"1216871"	473.159526	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+ACN+H"	42.033826
"1204032"	237.083401	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+ACN+2H"	43.041102
"193621"	907.22256	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+2Na-H"	44.97116
"635366"	1338.34826	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+2Na-H"	44.97116
"1141059"	476.09686	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2Na-H"	44.97116
"173902"	454.114918	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+2Na"	45.978436
"615164"	669.677768	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+2Na"	45.978436
"1120860"	238.552068	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2Na"	45.978436
"1403291"	159.370470666667	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H+2Na"	46.985712
"1440880"	478.138446	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H+HCOOH"	47.012746
"228384"	459.14794	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+3H2O+2H"	56.04448
"1516449"	492.19049	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+IsoProp+H"	61.06479
"416500"	462.101888	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+Na+K"	61.952376
"776037"	677.664738	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+Na+K"	61.952376
"1672366"	246.539038	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Na+K"	61.952376
"261440"	926.267168	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+ACN+Na"	64.015768
"1236336"	495.141468	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+ACN+Na"	64.015768
"1727045"	495.164993	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+NH4+HCOOH"	64.039293
"1190577"	166.697784666667	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+3Na"	68.967654
"1663021"	500.120388	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Na+HCOOH"	68.994688
"168061"	939.17044	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+2K-H"	76.91904
"602154"	1370.29614	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+2K-H"	76.91904
"1094322"	508.04474	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2K-H"	76.91904
"145670"	470.088858	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"2M+2K"	77.926316
"585229"	685.651708	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"3M+2K"	77.926316
"1073025"	254.526008	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2K"	77.926316
"1104049"	510.059292	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2K+H"	78.933592
"1342621"	510.146907	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+DMSO+H"	79.021207
"1008962"	514.186076	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2ACN+H"	83.060376
"1525999"	515.179708	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+IsoProp+Na+H"	84.054008
"992446"	257.596676	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+2ACN+2H"	84.067652
"1588161"	516.094328	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+K+HCOOH"	84.968628
"1427924"	546.125838	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+H+CF3COOH"	115.000138
"1159304"	278.109951	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+3ACN+2H"	125.094202
"1701200"	563.152385	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+NH4+CF3COOH"	132.026685
"1642322"	568.10778	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+Na+CF3COOH"	136.98208
"1574691"	584.08172	"C11742"	"SB 228357"	"C22H17F4N3O2"	"431.1257"	"M+K+CF3COOH"	152.95602
"809432"	428.146	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M"	0
"977498"	409.12761	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-H2O-H"	-19.01839
"65738"	284.423390666667	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M-3H"	-3.021828
"514047"	427.138724	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M-3H"	-3.021828
"887474"	141.708057333333	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-3H"	-3.021828
"8235"	427.138724	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M-2H"	-2.014552
"448890"	641.211724	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M-2H"	-2.014552
"831070"	213.065724	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-2H"	-2.014552
"93250"	855.284724	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M-H"	-1.007276
"529525"	1283.430724	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M-H"	-1.007276
"898584"	427.138724	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-H"	-1.007276
"51866"	872.311271	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M-2H+NH4"	16.019271
"492523"	1300.457271	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M-2H+NH4"	16.019271
"865950"	444.165271	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-2H+NH4"	16.019271
"36040"	877.266666	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M-2H+Na"	20.974666
"472439"	1305.412666	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M-2H+Na"	20.974666
"851215"	449.120666	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-2H+Na"	20.974666
"1628404"	449.120666	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Na-2H"	20.974666
"102746"	445.127063	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M-H+Cl"	33.962126
"540124"	659.200063	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M-H+Cl"	33.962126
"929264"	231.054063	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-H+Cl"	33.962126
"274383"	891.261402	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+Cl"	34.969402
"663523"	1319.407402	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+Cl"	34.969402
"1279207"	463.115402	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Cl"	34.969402
"22856"	893.240606	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M-2H+K"	36.948606
"463510"	1321.386606	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M-2H+K"	36.948606
"838031"	465.094606	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-2H+K"	36.948606
"1559698"	465.094606	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+K-2H"	36.948606
"945396"	473.144194	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-H+HCOOH"	44.998194
"363975"	901.290201	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+HCOOH-H"	44.998201
"347494"	915.305851	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+Hac-H"	59.013851
"1496326"	487.159851	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Hac-H"	59.013851
"964596"	495.126151	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-H+NaCOOH"	66.980151
"112047"	463.115402	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+2Cl"	69.938804
"559634"	677.188402	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+2Cl"	69.938804
"1022605"	249.042402	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2Cl"	69.938804
"1246924"	507.064885	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Br"	78.918885
"1312652"	509.120872	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Cl+HCOOH"	80.974872
"1325775"	531.102829	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Cl+NaCOOH"	102.956829
"922298"	541.131586	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M-H+CF3COOH"	112.985586
"1295727"	577.108264	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Cl+CF3COOH"	148.962264
"1374979"	393.133324	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H-2H2O"	-35.012676
"1393571"	411.1433	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H-H2O"	-17.0027
"294351"	857.299276	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+H"	1.007276
"687867"	1285.445276	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+H"	1.007276
"1363124"	429.153276	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H"	1.007276
"140265"	429.153276	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+2H"	2.014552
"578851"	643.226276	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+2H"	2.014552
"1046557"	215.080276	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2H"	2.014552
"208990"	286.437942666667	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+3H"	3.021828
"655118"	429.153276	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+3H"	3.021828
"1168872"	143.722609333333	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+3H"	3.021828
"428861"	874.325823	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+NH4"	18.033823
"792044"	1302.471823	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+NH4"	18.033823
"1687281"	446.179823	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+NH4"	18.033823
"334467"	437.6665495	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+H+NH4"	19.041099
"729442"	651.7395495	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+H+NH4"	19.041099
"1486176"	223.5935495	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H+NH4"	19.041099
"398294"	879.281218	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+Na"	22.989218
"763664"	1307.427218	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+Na"	22.989218
"1611762"	451.135218	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Na"	22.989218
"321796"	440.144247	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+H+Na"	23.996494
"714217"	654.217247	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+H+Na"	23.996494
"1465851"	226.071247	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H+Na"	23.996494
"1060187"	151.049923333333	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2H+Na"	25.00377
"1267333"	461.179486	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+CH3OH+H"	33.033486
"383724"	895.255158	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+K"	38.963158
"754130"	1323.401158	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+K"	38.963158
"1545682"	467.109158	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+K"	38.963158
"300308"	448.131217	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+H+K"	39.970434
"693457"	662.204217	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+H+K"	39.970434
"1450199"	234.058217	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H+K"	39.970434
"238800"	898.325826	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+ACN+H"	42.033826
"1220260"	470.179826	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+ACN+H"	42.033826
"1203048"	235.593551	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+ACN+2H"	43.041102
"193731"	901.26316	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+2Na-H"	44.97116
"637298"	1329.40916	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+2Na-H"	44.97116
"1138983"	473.11716	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2Na-H"	44.97116
"174135"	451.135218	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+2Na"	45.978436
"616368"	665.208218	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+2Na"	45.978436
"1120971"	237.062218	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2Na"	45.978436
"1402308"	158.377237333333	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H+2Na"	46.985712
"1442815"	475.158746	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H+HCOOH"	47.012746
"227401"	456.16824	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+3H2O+2H"	56.04448
"1521299"	489.21079	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+IsoProp+H"	61.06479
"422078"	459.122188	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+Na+K"	61.952376
"775054"	673.195188	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+Na+K"	61.952376
"1671385"	245.049188	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Na+K"	61.952376
"265804"	920.307768	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+ACN+Na"	64.015768
"1237540"	492.161768	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+ACN+Na"	64.015768
"1727278"	492.185293	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+NH4+HCOOH"	64.039293
"1193896"	165.704551333333	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+3Na"	68.967654
"1663131"	497.140688	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Na+HCOOH"	68.994688
"161612"	933.21104	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+2K-H"	76.91904
"603358"	1361.35704	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+2K-H"	76.91904
"1094432"	505.06504	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2K-H"	76.91904
"151248"	467.109158	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"2M+2K"	77.926316
"587525"	681.182158	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"3M+2K"	77.926316
"1073135"	253.036158	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2K"	77.926316
"1104159"	507.079592	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2K+H"	78.933592
"1342731"	507.167207	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+DMSO+H"	79.021207
"1011258"	511.206376	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2ACN+H"	83.060376
"1528295"	512.200008	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+IsoProp+Na+H"	84.054008
"992555"	256.106826	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+2ACN+2H"	84.067652
"1588879"	513.114628	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+K+HCOOH"	84.968628
"1427669"	543.146138	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+H+CF3COOH"	115.000138
"1159414"	276.620101	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+3ACN+2H"	125.094202
"1701310"	560.172685	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+NH4+CF3COOH"	132.026685
"1642432"	565.12808	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+Na+CF3COOH"	136.98208
"1572978"	581.10202	"C11743"	"SB 243213"	"C22H19F3N4O2"	"428.146"	"M+K+CF3COOH"	152.95602
"813916"	437.8864	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M"	0
"980888"	418.86801	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-H2O-H"	-19.01839
"72410"	290.916990666667	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M-3H"	-3.021828
"515251"	436.879124	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M-3H"	-3.021828
"890866"	144.954857333333	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-3H"	-3.021828
"9439"	436.879124	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M-2H"	-2.014552
"452645"	655.822324	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M-2H"	-2.014552
"831545"	217.935924	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-2H"	-2.014552
"92994"	874.765524	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M-H"	-1.007276
"530728"	1312.651924	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M-H"	-1.007276
"899788"	436.879124	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-H"	-1.007276
"53068"	891.792071	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M-2H+NH4"	16.019271
"488010"	1329.678471	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M-2H+NH4"	16.019271
"866780"	453.905671	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-2H+NH4"	16.019271
"35057"	896.747466	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M-2H+Na"	20.974666
"472549"	1334.633866	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M-2H+Na"	20.974666
"851325"	458.861066	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-2H+Na"	20.974666
"1626326"	458.861066	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Na-2H"	20.974666
"105043"	454.867463	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M-H+Cl"	33.962126
"535247"	673.810663	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M-H+Cl"	33.962126
"933749"	235.924263	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-H+Cl"	33.962126
"275586"	910.742202	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+Cl"	34.969402
"664726"	1348.628602	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+Cl"	34.969402
"1279317"	472.855802	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Cl"	34.969402
"22966"	912.721406	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M-2H+K"	36.948606
"463620"	1350.607806	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M-2H+K"	36.948606
"841421"	474.835006	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-2H+K"	36.948606
"1559443"	474.835006	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+K-2H"	36.948606
"946599"	482.884594	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-H+HCOOH"	44.998194
"365909"	920.771001	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+HCOOH-H"	44.998201
"348696"	934.786651	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+Hac-H"	59.013851
"1493884"	496.900251	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Hac-H"	59.013851
"965800"	504.866551	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-H+NaCOOH"	66.980151
"113251"	472.855802	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+2Cl"	69.938804
"560839"	691.799002	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+2Cl"	69.938804
"1024539"	253.912602	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2Cl"	69.938804
"1245941"	516.805285	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Br"	78.918885
"1313855"	518.861272	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Cl+HCOOH"	80.974872
"1329165"	540.843229	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Cl+NaCOOH"	102.956829
"923501"	550.871986	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M-H+CF3COOH"	112.985586
"1299117"	586.848664	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Cl+CF3COOH"	148.962264
"1376182"	402.873724	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H-2H2O"	-35.012676
"1392588"	420.8837	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H-H2O"	-17.0027
"292274"	876.780076	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+H"	1.007276
"685424"	1314.666476	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+H"	1.007276
"1358857"	438.893676	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H"	1.007276
"130288"	438.893676	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+2H"	2.014552
"567295"	657.836876	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+2H"	2.014552
"1045574"	219.950476	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2H"	2.014552
"209100"	292.931542666667	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+3H"	3.021828
"651950"	438.893676	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+3H"	3.021828
"1174448"	146.969409333333	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+3H"	3.021828
"430066"	893.806623	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+NH4"	18.033823
"792154"	1331.693023	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+NH4"	18.033823
"1688485"	455.920223	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+NH4"	18.033823
"332389"	447.4069495	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+H+NH4"	19.041099
"728095"	666.3501495	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+H+NH4"	19.041099
"1486286"	228.4637495	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H+NH4"	19.041099
"401684"	898.762018	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+Na"	22.989218
"762679"	1336.648418	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+Na"	22.989218
"1610779"	460.875618	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Na"	22.989218
"316074"	449.884647	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+H+Na"	23.996494
"712138"	668.827847	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+H+Na"	23.996494
"1465232"	230.941447	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H+Na"	23.996494
"1059204"	154.296723333333	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2H+Na"	25.00377
"1266347"	470.919886	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+CH3OH+H"	33.033486
"383834"	914.735958	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+K"	38.963158
"754111"	1352.622358	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+K"	38.963158
"1544699"	476.849558	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+K"	38.963158
"300418"	457.871617	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+H+K"	39.970434
"692839"	676.814817	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+H+K"	39.970434
"1448484"	238.928417	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H+K"	39.970434
"241092"	917.806626	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+ACN+H"	42.033826
"1217089"	479.920226	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+ACN+H"	42.033826
"1199877"	240.463751	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+ACN+2H"	43.041102
"191654"	920.74396	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+2Na-H"	44.97116
"634495"	1358.63036	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+2Na-H"	44.97116
"1138001"	482.85756	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2Na-H"	44.97116
"178010"	460.875618	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+2Na"	45.978436
"618663"	679.818818	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+2Na"	45.978436
"1118163"	241.932418	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2Na"	45.978436
"1402418"	161.624037333333	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H+2Na"	46.985712
"1444261"	484.899146	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H+HCOOH"	47.012746
"227511"	465.90864	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+3H2O+2H"	56.04448
"1522870"	498.95119	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+IsoProp+H"	61.06479
"422190"	468.862588	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+Na+K"	61.952376
"779539"	687.805788	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+Na+K"	61.952376
"1674776"	249.919388	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Na+K"	61.952376
"261295"	939.788568	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+ACN+Na"	64.015768
"1237286"	501.902168	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+ACN+Na"	64.015768
"1727026"	501.925693	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+NH4+HCOOH"	64.039293
"1194175"	168.951351333333	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+3Na"	68.967654
"1663241"	506.881088	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Na+HCOOH"	68.994688
"162816"	952.69184	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+2K-H"	76.91904
"603468"	1390.57824	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+2K-H"	76.91904
"1094542"	514.80544	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2K-H"	76.91904
"148077"	476.849558	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"2M+2K"	77.926316
"587635"	695.792758	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"3M+2K"	77.926316
"1073245"	257.906358	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2K"	77.926316
"1106457"	516.819992	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2K+H"	78.933592
"1342841"	516.907607	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+DMSO+H"	79.021207
"1010276"	520.946776	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2ACN+H"	83.060376
"1528405"	521.940408	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+IsoProp+Na+H"	84.054008
"993759"	260.977026	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+2ACN+2H"	84.067652
"1590447"	522.855028	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+K+HCOOH"	84.968628
"1427050"	552.886538	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+H+CF3COOH"	115.000138
"1159524"	281.490301	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+3ACN+2H"	125.094202
"1701420"	569.913085	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+NH4+CF3COOH"	132.026685
"1641447"	574.86848	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+Na+CF3COOH"	136.98208
"1573088"	590.84242	"C11744"	"Salvarsan;Arsphenamine"	"C12H12As2N2O22HCl"	"437.8864"	"M+K+CF3COOH"	152.95602
"812932"	355.0297	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M"	0
"980998"	336.01131	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-H2O-H"	-19.01839
"72521"	235.679190666667	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M-3H"	-3.021828
"513175"	354.022424	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M-3H"	-3.021828
"889881"	117.335957333333	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-3H"	-3.021828
"6269"	354.022424	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M-2H"	-2.014552
"453483"	531.537274	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M-2H"	-2.014552
"829100"	176.507574	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-2H"	-2.014552
"89092"	709.052124	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M-H"	-1.007276
"527558"	1064.081824	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M-H"	-1.007276
"896976"	354.022424	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-H"	-1.007276
"48073"	726.078671	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M-2H+NH4"	16.019271
"488722"	1081.108371	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M-2H+NH4"	16.019271
"865551"	371.048971	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-2H+NH4"	16.019271
"31713"	731.034066	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M-2H+Na"	20.974666
"471602"	1086.063766	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M-2H+Na"	20.974666
"848601"	376.004366	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-2H+Na"	20.974666
"1619140"	376.004366	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Na-2H"	20.974666
"104060"	372.010763	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M-H+Cl"	33.962126
"534505"	549.525613	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M-H+Cl"	33.962126
"927126"	194.495913	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-H+Cl"	33.962126
"267553"	745.028802	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+Cl"	34.969402
"660086"	1100.058502	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+Cl"	34.969402
"1273594"	389.999102	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Cl"	34.969402
"15770"	747.008006	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M-2H+K"	36.948606
"455942"	1102.037706	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M-2H+K"	36.948606
"832893"	391.978306	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-2H+K"	36.948606
"1556023"	391.978306	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+K-2H"	36.948606
"947440"	400.027894	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-H+HCOOH"	44.998194
"365655"	755.057601	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+HCOOH-H"	44.998201
"348078"	769.073251	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+Hac-H"	59.013851
"1494482"	414.043551	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Hac-H"	59.013851
"958739"	422.009851	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-H+NaCOOH"	66.980151
"110323"	389.999102	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+2Cl"	69.938804
"560949"	567.513952	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+2Cl"	69.938804
"1028658"	212.484252	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2Cl"	69.938804
"1251518"	433.948585	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Br"	78.918885
"1317247"	436.004572	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Cl+HCOOH"	80.974872
"1331462"	457.986529	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Cl+NaCOOH"	102.956829
"922519"	468.015286	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M-H+CF3COOH"	112.985586
"1300321"	503.991964	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Cl+CF3COOH"	148.962264
"1375199"	320.017024	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H-2H2O"	-35.012676
"1394520"	338.027	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H-H2O"	-17.0027
"295664"	711.066676	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+H"	1.007276
"685534"	1066.096376	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+H"	1.007276
"1358967"	356.036976	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H"	1.007276
"130762"	356.036976	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+2H"	2.014552
"568135"	533.551826	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+2H"	2.014552
"1045684"	178.522126	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2H"	2.014552
"209210"	237.693742666667	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+3H"	3.021828
"658015"	356.036976	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+3H"	3.021828
"1177721"	119.350509333333	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+3H"	3.021828
"430176"	728.093223	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+NH4"	18.033823
"793357"	1083.122923	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+NH4"	18.033823
"1686774"	373.063523	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+NH4"	18.033823
"333959"	364.5502495	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+H+NH4"	19.041099
"732578"	542.0650995	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+H+NH4"	19.041099
"1486396"	187.0353995	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H+NH4"	19.041099
"401794"	733.048618	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+Na"	22.989218
"762789"	1088.078318	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+Na"	22.989218
"1611982"	378.018918	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Na"	22.989218
"316184"	367.027947	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+H+Na"	23.996494
"711155"	544.542797	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+H+Na"	23.996494
"1465342"	189.513097	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H+Na"	23.996494
"1059314"	126.677823333333	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2H+Na"	25.00377
"1267550"	388.063186	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+CH3OH+H"	33.033486
"379568"	749.022558	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+K"	38.963158
"743846"	1104.052258	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+K"	38.963158
"1543717"	393.992858	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+K"	38.963158
"299070"	375.014917	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+H+K"	39.970434
"691648"	552.529767	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+H+K"	39.970434
"1446406"	197.500067	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H+K"	39.970434
"237193"	752.093226	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+ACN+H"	42.033826
"1212824"	397.063526	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+ACN+H"	42.033826
"1194559"	199.035401	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+ACN+2H"	43.041102
"189049"	755.03056	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+2Na-H"	44.97116
"631326"	1110.06026	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+2Na-H"	44.97116
"1134831"	400.00086	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2Na-H"	44.97116
"175933"	378.018918	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+2Na"	45.978436
"616586"	555.533768	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+2Na"	45.978436
"1118273"	200.504068	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2Na"	45.978436
"1402528"	134.005137333333	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H+2Na"	46.985712
"1438656"	402.042446	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H+HCOOH"	47.012746
"226528"	383.05194	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+3H2O+2H"	56.04448
"1522857"	416.09449	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+IsoProp+H"	61.06479
"422300"	386.005888	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+Na+K"	61.952376
"778557"	563.520738	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+Na+K"	61.952376
"1677803"	208.491038	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Na+K"	61.952376
"261405"	774.075168	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+ACN+Na"	64.015768
"1237760"	419.045468	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+ACN+Na"	64.015768
"1725798"	419.068993	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+NH4+HCOOH"	64.039293
"1192610"	141.332451333333	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+3Na"	68.967654
"1663230"	424.024388	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Na+HCOOH"	68.994688
"162926"	786.97844	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+2K-H"	76.91904
"604672"	1142.00814	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+2K-H"	76.91904
"1094652"	431.94874	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2K-H"	76.91904
"148188"	393.992858	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"2M+2K"	77.926316
"584465"	571.507708	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"3M+2K"	77.926316
"1071168"	216.478008	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2K"	77.926316
"1104380"	433.963292	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2K+H"	78.933592
"1342951"	434.050907	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+DMSO+H"	79.021207
"1007833"	438.090076	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2ACN+H"	83.060376
"1526328"	439.083708	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+IsoProp+Na+H"	84.054008
"990830"	219.548676	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+2ACN+2H"	84.067652
"1588371"	439.998328	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+K+HCOOH"	84.968628
"1427160"	470.029838	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+H+CF3COOH"	115.000138
"1157447"	240.061951	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+3ACN+2H"	125.094202
"1701530"	487.056385	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+NH4+CF3COOH"	132.026685
"1640463"	492.01178	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+Na+CF3COOH"	136.98208
"1572834"	507.98572	"C11745"	"Succinyl sulfathiazole"	"C13H13N3O5S2"	"355.0297"	"M+K+CF3COOH"	152.95602
"804293"	244.0518	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M"	0
"981105"	225.03341	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-H2O-H"	-19.01839
"68253"	161.693924	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M-3H"	-3.021828
"512185"	243.044524	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M-3H"	-3.021828
"892175"	80.343324	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-3H"	-3.021828
"11844"	243.044524	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M-2H"	-2.014552
"450316"	365.070424	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M-2H"	-2.014552
"828846"	121.018624	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-2H"	-2.014552
"88106"	487.096324	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M-H"	-1.007276
"519772"	731.148124	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M-H"	-1.007276
"898175"	243.044524	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-H"	-1.007276
"48302"	504.122871	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M-2H+NH4"	16.019271
"487748"	748.174671	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M-2H+NH4"	16.019271
"868469"	260.071071	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-2H+NH4"	16.019271
"32358"	509.078266	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M-2H+Na"	20.974666
"471630"	753.130066	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M-2H+Na"	20.974666
"848988"	265.026466	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-2H+Na"	20.974666
"1626546"	265.026466	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Na-2H"	20.974666
"98705"	261.032863	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M-H+Cl"	33.962126
"543734"	383.058763	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M-H+Cl"	33.962126
"931052"	139.006963	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-H+Cl"	33.962126
"267184"	523.073002	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+Cl"	34.969402
"660557"	767.124802	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+Cl"	34.969402
"1272923"	279.021202	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Cl"	34.969402
"15757"	525.052206	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M-2H+K"	36.948606
"455839"	769.104006	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M-2H+K"	36.948606
"833173"	281.000406	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-2H+K"	36.948606
"1562950"	281.000406	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+K-2H"	36.948606
"946458"	289.049994	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-H+HCOOH"	44.998194
"365766"	533.101801	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+HCOOH-H"	44.998201
"348557"	547.117451	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+Hac-H"	59.013851
"1492967"	303.065651	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Hac-H"	59.013851
"958970"	311.031951	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-H+NaCOOH"	66.980151
"124297"	279.021202	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+2Cl"	69.938804
"556691"	401.047102	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+2Cl"	69.938804
"1028771"	156.995302	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2Cl"	69.938804
"1253816"	322.970685	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Br"	78.918885
"1312984"	325.026672	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Cl+HCOOH"	80.974872
"1335219"	347.008629	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Cl+NaCOOH"	102.956829
"921903"	357.037386	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M-H+CF3COOH"	112.985586
"1300068"	393.014064	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Cl+CF3COOH"	148.962264
"1378593"	209.039124	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H-2H2O"	-35.012676
"1394996"	227.0491	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H-H2O"	-17.0027
"298085"	489.110876	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+H"	1.007276
"689289"	733.162676	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+H"	1.007276
"1365276"	245.059076	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H"	1.007276
"137434"	245.059076	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+2H"	2.014552
"581289"	367.084976	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+2H"	2.014552
"1050901"	123.033176	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2H"	2.014552
"214796"	163.708476	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+3H"	3.021828
"653262"	245.059076	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+3H"	3.021828
"1172480"	82.357876	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+3H"	3.021828
"431380"	506.137423	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+NH4"	18.033823
"793468"	750.189223	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+NH4"	18.033823
"1689800"	262.085623	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+NH4"	18.033823
"338078"	253.5723495	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+H+NH4"	19.041099
"731594"	375.5982495	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+H+NH4"	19.041099
"1485412"	131.5464495	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H+NH4"	19.041099
"400811"	511.092818	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+Na"	22.989218
"761805"	755.144618	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+Na"	22.989218
"1608809"	267.041018	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Na"	22.989218
"323221"	256.050047	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+H+Na"	23.996494
"718195"	378.075947	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+H+Na"	23.996494
"1467275"	134.024147	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H+Na"	23.996494
"1056145"	89.68519	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2H+Na"	25.00377
"1270219"	277.085286	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+CH3OH+H"	33.033486
"386973"	527.066758	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+K"	38.963158
"741406"	771.118558	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+K"	38.963158
"1546018"	283.014958	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+K"	38.963158
"299912"	264.037017	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+H+K"	39.970434
"694522"	386.062917	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+H+K"	39.970434
"1447246"	142.011117	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H+K"	39.970434
"239133"	530.137426	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+ACN+H"	42.033826
"1211110"	286.085626	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+ACN+H"	42.033826
"1194546"	143.546451	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+ACN+2H"	43.041102
"191875"	533.07476	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+2Na-H"	44.97116
"630707"	777.12656	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+2Na-H"	44.97116
"1132876"	289.02296	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2Na-H"	44.97116
"176044"	267.041018	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+2Na"	45.978436
"619983"	389.066918	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+2Na"	45.978436
"1125312"	145.015118	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2Na"	45.978436
"1411391"	97.012504	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H+2Na"	46.985712
"1444119"	291.064546	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H+HCOOH"	47.012746
"233086"	272.07404	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+3H2O+2H"	56.04448
"1521875"	305.11659	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+IsoProp+H"	61.06479
"419861"	275.027988	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+Na+K"	61.952376
"780854"	397.053888	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+Na+K"	61.952376
"1676820"	153.002088	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Na+K"	61.952376
"257144"	552.119368	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+ACN+Na"	64.015768
"1236778"	308.067568	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+ACN+Na"	64.015768
"1725300"	308.091093	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+NH4+HCOOH"	64.039293
"1193330"	104.339818	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+3Na"	68.967654
"1660545"	313.046488	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Na+HCOOH"	68.994688
"165220"	565.02264	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+2K-H"	76.91904
"610977"	809.07444	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+2K-H"	76.91904
"1089293"	320.97084	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2K-H"	76.91904
"146474"	283.014958	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"2M+2K"	77.926316
"587860"	405.040858	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"3M+2K"	77.926316
"1069095"	160.989058	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2K"	77.926316
"1102304"	322.985392	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2K+H"	78.933592
"1340875"	323.073007	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+DMSO+H"	79.021207
"1010501"	327.112176	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2ACN+H"	83.060376
"1530813"	328.105808	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+IsoProp+Na+H"	84.054008
"991793"	164.059726	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+2ACN+2H"	84.067652
"1600884"	329.020428	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+K+HCOOH"	84.968628
"1425083"	359.051938	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+H+CF3COOH"	115.000138
"1154277"	184.573001	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+3ACN+2H"	125.094202
"1702736"	376.078485	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+NH4+CF3COOH"	132.026685
"1637293"	381.03388	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+Na+CF3COOH"	136.98208
"1575132"	397.00782	"C11747"	"Penicillenic acid;3-Mercapto-N-(5-oxo-4(5H)-oxazolylidene)methyl-valine"	"C9H12N2O4S"	"244.0518"	"M+K+CF3COOH"	152.95602
"807684"	453.0561	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M"	0
"983402"	434.03771	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-H2O-H"	-19.01839
"72738"	301.030124	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M-3H"	-3.021828
"515578"	452.048824	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M-3H"	-3.021828
"893380"	150.011424	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-3H"	-3.021828
"8676"	452.048824	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M-2H"	-2.014552
"450423"	678.576874	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M-2H"	-2.014552
"829322"	225.520774	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-2H"	-2.014552
"89311"	905.104924	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M-H"	-1.007276
"520369"	1358.161024	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M-H"	-1.007276
"898287"	452.048824	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-H"	-1.007276
"48413"	922.131471	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M-2H+NH4"	16.019271
"488100"	1375.187571	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M-2H+NH4"	16.019271
"869672"	469.075371	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-2H+NH4"	16.019271
"31979"	927.086866	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M-2H+Na"	20.974666
"472634"	1380.142966	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M-2H+Na"	20.974666
"850561"	474.030766	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-2H+Na"	20.974666
"1623376"	474.030766	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Na-2H"	20.974666
"98815"	470.037163	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M-H+Cl"	33.962126
"543844"	696.565213	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M-H+Cl"	33.962126
"931162"	243.509113	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-H+Cl"	33.962126
"267244"	941.081602	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+Cl"	34.969402
"660911"	1394.137702	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+Cl"	34.969402
"1274283"	488.025502	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Cl"	34.969402
"16359"	943.060806	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M-2H+K"	36.948606
"456408"	1396.116906	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M-2H+K"	36.948606
"833366"	490.004706	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-2H+K"	36.948606
"1560872"	490.004706	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+K-2H"	36.948606
"945473"	498.054294	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-H+HCOOH"	44.998194
"362957"	951.110401	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+HCOOH-H"	44.998201
"347205"	965.126051	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+Hac-H"	59.013851
"1492957"	512.069951	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Hac-H"	59.013851
"960055"	520.036251	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-H+NaCOOH"	66.980151
"112128"	488.025502	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+2Cl"	69.938804
"556801"	714.553552	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+2Cl"	69.938804
"1028881"	261.497452	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2Cl"	69.938804
"1252832"	531.974985	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Br"	78.918885
"1314186"	534.030972	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Cl+HCOOH"	80.974872
"1332777"	556.012929	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Cl+NaCOOH"	102.956829
"924928"	566.041686	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M-H+CF3COOH"	112.985586
"1301636"	602.018364	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Cl+CF3COOH"	148.962264
"1378704"	418.043424	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H-2H2O"	-35.012676
"1396929"	436.0534	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H-H2O"	-17.0027
"296981"	907.119476	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+H"	1.007276
"689766"	1360.175576	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+H"	1.007276
"1365022"	454.063376	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H"	1.007276
"137544"	454.063376	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+2H"	2.014552
"580023"	680.591426	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+2H"	2.014552
"1051375"	227.535326	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2H"	2.014552
"213811"	303.044676	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+3H"	3.021828
"652280"	454.063376	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+3H"	3.021828
"1172590"	152.025976	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+3H"	3.021828
"430397"	924.146023	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+NH4"	18.033823
"791757"	1377.202123	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+NH4"	18.033823
"1686632"	471.089923	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+NH4"	18.033823
"337097"	462.5766495	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+H+NH4"	19.041099
"733892"	689.1046995	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+H+NH4"	19.041099
"1486615"	236.0485995	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H+NH4"	19.041099
"398733"	929.101418	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+Na"	22.989218
"765199"	1382.157518	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+Na"	22.989218
"1612201"	476.045318	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Na"	22.989218
"323332"	465.054347	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+H+Na"	23.996494
"713565"	691.582397	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+H+Na"	23.996494
"1468478"	238.526297	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H+Na"	23.996494
"1057348"	159.35329	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2H+Na"	25.00377
"1270693"	486.089586	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+CH3OH+H"	33.033486
"389270"	945.075358	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+K"	38.963158
"741884"	1398.131458	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+K"	38.963158
"1546128"	492.019258	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+K"	38.963158
"299658"	473.041317	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+H+K"	39.970434
"696819"	699.569367	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+H+K"	39.970434
"1448451"	246.513267	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H+K"	39.970434
"239243"	948.146026	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+ACN+H"	42.033826
"1212679"	495.089926	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+ACN+H"	42.033826
"1196197"	248.048601	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+ACN+2H"	43.041102
"190893"	951.08336	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+2Na-H"	44.97116
"629479"	1404.13946	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+2Na-H"	44.97116
"1133957"	498.02726	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2Na-H"	44.97116
"176153"	476.045318	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+2Na"	45.978436
"619000"	702.573368	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+2Na"	45.978436
"1124693"	249.517268	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2Na"	45.978436
"1410409"	166.680604	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H+2Na"	46.985712
"1444350"	500.068846	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H+HCOOH"	47.012746
"234410"	481.07834	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+3H2O+2H"	56.04448
"1522838"	514.12089	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+IsoProp+H"	61.06479
"421062"	484.032288	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+Na+K"	61.952376
"778776"	710.560338	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+Na+K"	61.952376
"1671826"	257.504238	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Na+K"	61.952376
"257252"	970.127968	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+ACN+Na"	64.015768
"1233241"	517.071868	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+ACN+Na"	64.015768
"1726868"	517.095393	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+NH4+HCOOH"	64.039293
"1190034"	174.007918	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+3Na"	68.967654
"1658469"	522.050788	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Na+HCOOH"	68.994688
"162050"	983.03124	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+2K-H"	76.91904
"603797"	1436.08734	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+2K-H"	76.91904
"1088312"	529.97514	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2K-H"	76.91904
"145124"	492.019258	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"2M+2K"	77.926316
"589064"	718.547308	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"3M+2K"	77.926316
"1071391"	265.491208	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2K"	77.926316
"1104600"	531.989692	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2K+H"	78.933592
"1337339"	532.077307	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+DMSO+H"	79.021207
"1011703"	536.116476	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2ACN+H"	83.060376
"1534203"	537.110108	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+IsoProp+Na+H"	84.054008
"992997"	268.561876	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+2ACN+2H"	84.067652
"1595159"	538.024728	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+K+HCOOH"	84.968628
"1423006"	568.056238	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+H+CF3COOH"	115.000138
"1154387"	289.075151	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+3ACN+2H"	125.094202
"1706126"	585.082785	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+NH4+CF3COOH"	132.026685
"1637403"	590.03818	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+Na+CF3COOH"	136.98208
"1576335"	606.01212	"C11748"	"Flucloxacillin;Floxacillin"	"C19H17ClFN3O5S"	"453.0561"	"M+K+CF3COOH"	152.95602
"807795"	349.1096	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M"	0
"981326"	330.09121	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-H2O-H"	-19.01839
"76128"	231.732457333333	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M-3H"	-3.021828
"515690"	348.102324	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M-3H"	-3.021828
"895071"	115.362590666667	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-3H"	-3.021828
"13159"	348.102324	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M-2H"	-2.014552
"452720"	522.657124	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M-2H"	-2.014552
"829432"	173.547524	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-2H"	-2.014552
"92706"	697.211924	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M-H"	-1.007276
"524608"	1046.321524	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M-H"	-1.007276
"903502"	348.102324	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-H"	-1.007276
"48767"	714.238471	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M-2H+NH4"	16.019271
"488331"	1063.348071	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M-2H+NH4"	16.019271
"867596"	365.128871	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-2H+NH4"	16.019271
"32577"	719.193866	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M-2H+Na"	20.974666
"473109"	1068.303466	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M-2H+Na"	20.974666
"851764"	370.084266	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-2H+Na"	20.974666
"1626766"	370.084266	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Na-2H"	20.974666
"97832"	366.090663	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M-H+Cl"	33.962126
"541768"	540.645463	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M-H+Cl"	33.962126
"930908"	191.535863	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-H+Cl"	33.962126
"268369"	733.188602	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+Cl"	34.969402
"660656"	1082.298202	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+Cl"	34.969402
"1273307"	384.079002	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Cl"	34.969402
"16350"	735.167806	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M-2H+K"	36.948606
"456886"	1084.277406	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M-2H+K"	36.948606
"834078"	386.058206	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-2H+K"	36.948606
"1561346"	386.058206	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+K-2H"	36.948606
"946311"	394.107794	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-H+HCOOH"	44.998194
"362702"	743.217401	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+HCOOH-H"	44.998201
"347072"	757.233051	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+Hac-H"	59.013851
"1493955"	408.123451	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Hac-H"	59.013851
"959676"	416.089751	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-H+NaCOOH"	66.980151
"110781"	384.079002	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+2Cl"	69.938804
"561284"	558.633802	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+2Cl"	69.938804
"1030084"	209.524202	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2Cl"	69.938804
"1255128"	428.028485	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Br"	78.918885
"1315391"	430.084472	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Cl+HCOOH"	80.974872
"1335238"	452.066429	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Cl+NaCOOH"	102.956829
"925770"	462.095186	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M-H+CF3COOH"	112.985586
"1302841"	498.071864	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Cl+CF3COOH"	148.962264
"1379908"	314.096924	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H-2H2O"	-35.012676
"1397039"	332.1069	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H-H2O"	-17.0027
"296727"	699.226476	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+H"	1.007276
"690606"	1048.336076	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+H"	1.007276
"1365496"	350.116876	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H"	1.007276
"137654"	350.116876	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+2H"	2.014552
"580498"	524.671676	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+2H"	2.014552
"1052173"	175.562076	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2H"	2.014552
"211735"	233.747009333333	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+3H"	3.021828
"656401"	350.116876	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+3H"	3.021828
"1168328"	117.377142666667	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+3H"	3.021828
"430873"	716.253023	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+NH4"	18.033823
"791504"	1065.362623	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+NH4"	18.033823
"1690022"	367.143423	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+NH4"	18.033823
"337207"	358.6301495	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+H+NH4"	19.041099
"732909"	533.1849495	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+H+NH4"	19.041099
"1486725"	184.0753495	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H+NH4"	19.041099
"399936"	721.208418	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+Na"	22.989218
"764215"	1070.318018	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+Na"	22.989218
"1611218"	372.098818	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Na"	22.989218
"323442"	361.107847	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+H+Na"	23.996494
"716954"	535.662647	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+H+Na"	23.996494
"1470774"	186.553047	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H+Na"	23.996494
"1061831"	124.704456666667	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2H+Na"	25.00377
"1267888"	382.143086	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+CH3OH+H"	33.033486
"387558"	737.182358	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+K"	38.963158
"741994"	1086.291958	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+K"	38.963158
"1544051"	388.072758	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+K"	38.963158
"299404"	369.094817	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+H+K"	39.970434
"694742"	543.649617	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+H+K"	39.970434
"1448561"	194.540017	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H+K"	39.970434
"240447"	740.253026	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+ACN+H"	42.033826
"1212424"	391.143426	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+ACN+H"	42.033826
"1198130"	196.075351	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+ACN+2H"	43.041102
"191367"	743.19036	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+2Na-H"	44.97116
"633841"	1092.29996	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+2Na-H"	44.97116
"1138439"	394.08076	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2Na-H"	44.97116
"178449"	372.098818	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+2Na"	45.978436
"619110"	546.653618	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+2Na"	45.978436
"1123710"	197.544018	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2Na"	45.978436
"1410883"	132.031770666667	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H+2Na"	46.985712
"1442635"	396.122346	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H+HCOOH"	47.012746
"233914"	377.13184	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+3H2O+2H"	56.04448
"1522581"	410.17439	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+IsoProp+H"	61.06479
"416797"	380.085788	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+Na+K"	61.952376
"776699"	554.640588	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+Na+K"	61.952376
"1669749"	205.530988	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Na+K"	61.952376
"256269"	762.234968	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+ACN+Na"	64.015768
"1233351"	413.125368	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+ACN+Na"	64.015768
"1726248"	413.148893	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+NH4+HCOOH"	64.039293
"1188685"	139.359084666667	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+3Na"	68.967654
"1659672"	418.104288	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Na+HCOOH"	68.994688
"165441"	775.13824	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+2K-H"	76.91904
"608281"	1124.24784	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+2K-H"	76.91904
"1086599"	426.02864	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2K-H"	76.91904
"147421"	388.072758	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"2M+2K"	77.926316
"586986"	562.627558	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"3M+2K"	77.926316
"1072594"	213.517958	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2K"	77.926316
"1101429"	428.043192	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2K+H"	78.933592
"1337814"	428.130807	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+DMSO+H"	79.021207
"1008893"	432.169976	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2ACN+H"	83.060376
"1525565"	433.163608	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+IsoProp+Na+H"	84.054008
"992012"	216.588626	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+2ACN+2H"	84.067652
"1590895"	434.078228	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+K+HCOOH"	84.968628
"1415461"	464.109738	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+H+CF3COOH"	115.000138
"1147448"	237.101901	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+3ACN+2H"	125.094202
"1702956"	481.136285	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+NH4+CF3COOH"	132.026685
"1636420"	486.09168	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+Na+CF3COOH"	136.98208
"1575352"	502.06562	"C11749"	"(p-Aminobenzyl)penicillin;Penicillin T"	"C16H19N3O4S"	"349.1096"	"M+K+CF3COOH"	152.95602
"807908"	463.1777	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M"	0
"975973"	444.15931	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-H2O-H"	-19.01839
"65307"	307.777857333333	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M-3H"	-3.021828
"507052"	462.170424	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M-3H"	-3.021828
"888135"	153.385290666667	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-3H"	-3.021828
"8897"	462.170424	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M-2H"	-2.014552
"445179"	693.759274	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M-2H"	-2.014552
"822978"	230.581574	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-2H"	-2.014552
"91719"	925.348124	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M-H"	-1.007276
"521445"	1388.525824	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M-H"	-1.007276
"902532"	462.170424	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-H"	-1.007276
"55816"	942.374671	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M-2H+NH4"	16.019271
"496468"	1405.552371	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M-2H+NH4"	16.019271
"872082"	479.196971	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-2H+NH4"	16.019271
"39986"	947.330066	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M-2H+Na"	20.974666
"480640"	1410.507766	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M-2H+Na"	20.974666
"858442"	484.152366	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-2H+Na"	20.974666
"1626881"	484.152366	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Na-2H"	20.974666
"103412"	480.158763	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M-H+Cl"	33.962126
"543703"	711.747613	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M-H+Cl"	33.962126
"932115"	248.569913	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-H+Cl"	33.962126
"267628"	961.324802	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+Cl"	34.969402
"664186"	1424.502502	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+Cl"	34.969402
"1283151"	498.147102	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Cl"	34.969402
"22426"	963.304006	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M-2H+K"	36.948606
"461993"	1426.481706	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M-2H+K"	36.948606
"833599"	500.126306	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-2H+K"	36.948606
"1561098"	500.126306	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+K-2H"	36.948606
"945698"	508.175894	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-H+HCOOH"	44.998194
"363547"	971.353601	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+HCOOH-H"	44.998201
"347792"	985.369251	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+Hac-H"	59.013851
"1501004"	522.191551	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Hac-H"	59.013851
"960525"	530.157851	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-H+NaCOOH"	66.980151
"117460"	498.147102	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+2Cl"	69.938804
"558115"	729.735952	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+2Cl"	69.938804
"1030194"	266.558252	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2Cl"	69.938804
"1253054"	542.096585	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Br"	78.918885
"1310034"	544.152572	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Cl+HCOOH"	80.974872
"1324249"	566.134529	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Cl+NaCOOH"	102.956829
"914213"	576.163286	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M-H+CF3COOH"	112.985586
"1295295"	612.139964	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Cl+CF3COOH"	148.962264
"1376737"	428.165024	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H-2H2O"	-35.012676
"1390953"	446.175	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H-H2O"	-17.0027
"296836"	927.362676	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+H"	1.007276
"688529"	1390.540376	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+H"	1.007276
"1359413"	464.184976	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H"	1.007276
"135583"	464.184976	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+2H"	2.014552
"576237"	695.773826	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+2H"	2.014552
"1042850"	232.596126	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2H"	2.014552
"208565"	309.792409333333	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+3H"	3.021828
"647395"	464.184976	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+3H"	3.021828
"1169531"	155.399842666667	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+3H"	3.021828
"429889"	944.389223	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+NH4"	18.033823
"792706"	1407.566923	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+NH4"	18.033823
"1689039"	481.211523	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+NH4"	18.033823
"337316"	472.6982495	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+H+NH4"	19.041099
"729738"	704.2870995	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+H+NH4"	19.041099
"1481732"	241.1093995	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H+NH4"	19.041099
"400050"	949.344618	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+Na"	22.989218
"762138"	1412.522318	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+Na"	22.989218
"1610237"	486.166918	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Na"	22.989218
"323555"	475.175947	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+H+Na"	23.996494
"720351"	706.764797	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+H+Na"	23.996494
"1471983"	243.587097	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H+Na"	23.996494
"1058668"	162.727156666667	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2H+Na"	25.00377
"1260349"	496.211186	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+CH3OH+H"	33.033486
"383298"	965.318558	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+K"	38.963158
"748675"	1428.496258	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+K"	38.963158
"1547449"	502.140858	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+K"	38.963158
"304990"	483.162917	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+H+K"	39.970434
"694859"	714.751767	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+H+K"	39.970434
"1446367"	251.574067	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H+K"	39.970434
"235896"	968.389226	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+ACN+H"	42.033826
"1210383"	505.211526	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+ACN+H"	42.033826
"1195321"	253.109401	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+ACN+2H"	43.041102
"188919"	971.32656	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+2Na-H"	44.97116
"628968"	1434.50426	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+2Na-H"	44.97116
"1136368"	508.14886	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2Na-H"	44.97116
"177467"	486.166918	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+2Na"	45.978436
"626519"	717.755768	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+2Na"	45.978436
"1128932"	254.578068	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2Na"	45.978436
"1411362"	170.054470666667	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H+2Na"	46.985712
"1440559"	510.190446	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H+HCOOH"	47.012746
"229159"	491.19994	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+3H2O+2H"	56.04448
"1516129"	524.24249	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+IsoProp+H"	61.06479
"420188"	494.153888	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+Na+K"	61.952376
"772071"	725.742738	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+Na+K"	61.952376
"1668767"	262.565038	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Na+K"	61.952376
"256377"	990.371168	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+ACN+Na"	64.015768
"1231274"	527.193468	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+ACN+Na"	64.015768
"1715787"	527.216993	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+NH4+HCOOH"	64.039293
"1181144"	177.381784666667	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+3Na"	68.967654
"1651278"	532.172388	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Na+HCOOH"	68.994688
"162272"	1003.27444	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+2K-H"	76.91904
"605114"	1466.45214	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+2K-H"	76.91904
"1086349"	540.09674	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2K-H"	76.91904
"145350"	502.140858	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"2M+2K"	77.926316
"582845"	733.729708	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"3M+2K"	77.926316
"1071609"	270.552008	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2K"	77.926316
"1103730"	542.111292	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2K+H"	78.933592
"1339024"	542.198907	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+DMSO+H"	79.021207
"1006213"	546.238076	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2ACN+H"	83.060376
"1528960"	547.231708	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+IsoProp+Na+H"	84.054008
"992128"	273.622676	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+2ACN+2H"	84.067652
"1588817"	548.146328	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+K+HCOOH"	84.968628
"1414718"	578.177838	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+H+CF3COOH"	115.000138
"1147232"	294.135951	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+3ACN+2H"	125.094202
"1703066"	595.204385	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+NH4+CF3COOH"	132.026685
"1636530"	600.15978	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+Na+CF3COOH"	136.98208
"1575462"	616.13372	"C11750"	"Pivampicillin"	"C22H29N3O6S"	"463.1777"	"M+K+CF3COOH"	152.95602
"808015"	481.1308	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M"	0
"981546"	462.11241	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-H2O-H"	-19.01839
"65418"	319.746590666667	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M-3H"	-3.021828
"508257"	480.123524	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M-3H"	-3.021828
"890432"	159.369657333333	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-3H"	-3.021828
"13382"	480.123524	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M-2H"	-2.014552
"451849"	720.688924	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M-2H"	-2.014552
"827462"	239.558124	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-2H"	-2.014552
"91466"	961.254324	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M-H"	-1.007276
"519124"	1442.385124	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M-H"	-1.007276
"903735"	480.123524	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-H"	-1.007276
"59572"	978.280871	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M-2H+NH4"	16.019271
"496578"	1459.411671	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M-2H+NH4"	16.019271
"872192"	497.150071	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-2H+NH4"	16.019271
"45199"	983.236266	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M-2H+Na"	20.974666
"481480"	1464.367066	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M-2H+Na"	20.974666
"860739"	502.105466	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-2H+Na"	20.974666
"1628814"	502.105466	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Na-2H"	20.974666
"102428"	498.111863	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M-H+Cl"	33.962126
"540896"	738.677263	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M-H+Cl"	33.962126
"932225"	257.546463	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-H+Cl"	33.962126
"267536"	997.231002	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+Cl"	34.969402
"664296"	1478.361802	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+Cl"	34.969402
"1283261"	516.100202	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Cl"	34.969402
"20350"	999.210206	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M-2H+K"	36.948606
"462103"	1480.341006	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M-2H+K"	36.948606
"839907"	518.079406	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-2H+K"	36.948606
"1561208"	518.079406	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+K-2H"	36.948606
"946903"	526.128994	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-H+HCOOH"	44.998194
"367303"	1007.259801	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+HCOOH-H"	44.998201
"348998"	1021.275451	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+Hac-H"	59.013851
"1504394"	540.144651	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Hac-H"	59.013851
"967561"	548.110951	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-H+NaCOOH"	66.980151
"117570"	516.100202	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+2Cl"	69.938804
"558225"	756.665602	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+2Cl"	69.938804
"1029211"	275.534802	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2Cl"	69.938804
"1256080"	560.049685	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Br"	78.918885
"1313424"	562.105672	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Cl+HCOOH"	80.974872
"1328733"	584.087629	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Cl+NaCOOH"	102.956829
"919790"	594.116386	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M-H+CF3COOH"	112.985586
"1300872"	630.093064	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Cl+CF3COOH"	148.962264
"1377940"	446.118124	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H-2H2O"	-35.012676
"1394343"	464.1281	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H-H2O"	-17.0027
"297799"	963.268876	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+H"	1.007276
"691348"	1444.399676	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+H"	1.007276
"1360616"	482.138076	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H"	1.007276
"141208"	482.138076	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+2H"	2.014552
"581211"	722.703476	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+2H"	2.014552
"1052321"	241.572676	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2H"	2.014552
"218152"	321.761142666667	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+3H"	3.021828
"652610"	482.138076	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+3H"	3.021828
"1175109"	161.384209333333	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+3H"	3.021828
"434008"	980.295423	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+NH4"	18.033823
"797192"	1461.426223	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+NH4"	18.033823
"1694616"	499.164623	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+NH4"	18.033823
"339613"	490.6513495	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+H+NH4"	19.041099
"733127"	731.2167495	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+H+NH4"	19.041099
"1484759"	250.0859495	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H+NH4"	19.041099
"402345"	985.250818	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+Na"	22.989218
"767712"	1466.381618	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+Na"	22.989218
"1615811"	504.120018	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Na"	22.989218
"328037"	493.129047	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+H+Na"	23.996494
"721191"	733.694447	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+H+Na"	23.996494
"1475373"	252.563647	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H+Na"	23.996494
"1062060"	168.711523333333	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2H+Na"	25.00377
"1264833"	514.164286	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+CH3OH+H"	33.033486
"389968"	1001.224758	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+K"	38.963158
"751701"	1482.355558	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+K"	38.963158
"1553755"	520.093958	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+K"	38.963158
"313000"	501.116017	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+H+K"	39.970434
"700435"	741.681417	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+H+K"	39.970434
"1453162"	260.550617	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H+K"	39.970434
"245046"	1004.295426	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+ACN+H"	42.033826
"1217752"	523.164626	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+ACN+H"	42.033826
"1201634"	262.085951	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+ACN+2H"	43.041102
"194501"	1007.23276	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+2Na-H"	44.97116
"634061"	1488.36356	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+2Na-H"	44.97116
"1140851"	526.10196	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2Na-H"	44.97116
"179764"	504.120018	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+2Na"	45.978436
"620058"	744.685418	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+2Na"	45.978436
"1128676"	263.554618	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2Na"	45.978436
"1413294"	176.038837333333	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H+2Na"	46.985712
"1441399"	528.143546	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H+HCOOH"	47.012746
"228177"	509.15304	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+3H2O+2H"	56.04448
"1518426"	542.19559	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+IsoProp+H"	61.06479
"417018"	512.106988	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+Na+K"	61.952376
"771818"	752.672388	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+Na+K"	61.952376
"1671063"	271.541588	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Na+K"	61.952376
"257582"	1026.277368	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+ACN+Na"	64.015768
"1233571"	545.146568	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+ACN+Na"	64.015768
"1716990"	545.170093	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+NH4+HCOOH"	64.039293
"1184533"	183.366151333333	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+3Na"	68.967654
"1653332"	550.125488	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Na+HCOOH"	68.994688
"162383"	1039.18064	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+2K-H"	76.91904
"605224"	1520.31144	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+2K-H"	76.91904
"1087915"	558.04984	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2K-H"	76.91904
"146554"	520.093958	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"2M+2K"	77.926316
"583926"	760.659358	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"3M+2K"	77.926316
"1072448"	279.528558	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2K"	77.926316
"1101895"	560.064392	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2K+H"	78.933592
"1341320"	560.152007	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+DMSO+H"	79.021207
"1006202"	564.191176	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2ACN+H"	83.060376
"1526882"	565.184808	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+IsoProp+Na+H"	84.054008
"992238"	282.599226	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+2ACN+2H"	84.067652
"1587462"	566.099428	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+K+HCOOH"	84.968628
"1414700"	596.130938	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+H+CF3COOH"	115.000138
"1147911"	303.112501	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+3ACN+2H"	125.094202
"1703176"	613.157485	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+NH4+CF3COOH"	132.026685
"1636640"	618.11288	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+Na+CF3COOH"	136.98208
"1576665"	634.08682	"C11751"	"Talampicillin"	"C24H23N3O6S"	"481.1308"	"M+K+CF3COOH"	152.95602
"811405"	454.1199	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M"	0
"984937"	435.10151	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-H2O-H"	-19.01839
"64798"	301.739324	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M-3H"	-3.021828
"506180"	453.112624	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M-3H"	-3.021828
"883982"	150.366024	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-3H"	-3.021828
"10211"	453.112624	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M-2H"	-2.014552
"450864"	680.172574	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M-2H"	-2.014552
"826480"	226.052674	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-2H"	-2.014552
"88659"	907.232524	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M-H"	-1.007276
"521665"	1361.352424	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M-H"	-1.007276
"903846"	453.112624	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-H"	-1.007276
"53848"	924.259071	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M-2H+NH4"	16.019271
"489032"	1378.378971	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M-2H+NH4"	16.019271
"869022"	470.139171	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-2H+NH4"	16.019271
"40206"	929.214466	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M-2H+Na"	20.974666
"481953"	1383.334366	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M-2H+Na"	20.974666
"859391"	475.094566	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-2H+Na"	20.974666
"1624914"	475.094566	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Na-2H"	20.974666
"103632"	471.100963	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M-H+Cl"	33.962126
"541006"	698.160913	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M-H+Cl"	33.962126
"931242"	244.041013	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-H+Cl"	33.962126
"267400"	943.209202	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+Cl"	34.969402
"664041"	1397.329102	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+Cl"	34.969402
"1281185"	489.089302	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Cl"	34.969402
"20460"	945.188406	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M-2H+K"	36.948606
"463307"	1399.308306	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M-2H+K"	36.948606
"840016"	491.068506	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-2H+K"	36.948606
"1560225"	491.068506	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+K-2H"	36.948606
"945920"	499.118094	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-H+HCOOH"	44.998194
"367413"	953.238001	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+HCOOH-H"	44.998201
"346556"	967.253651	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+Hac-H"	59.013851
"1504504"	513.133751	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Hac-H"	59.013851
"967671"	521.100051	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-H+NaCOOH"	66.980151
"116587"	489.089302	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+2Cl"	69.938804
"560522"	716.149252	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+2Cl"	69.938804
"1034424"	262.029352	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2Cl"	69.938804
"1255461"	533.038785	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Br"	78.918885
"1310255"	535.094772	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Cl+HCOOH"	80.974872
"1332854"	557.076729	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Cl+NaCOOH"	102.956829
"920995"	567.105486	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M-H+CF3COOH"	112.985586
"1299890"	603.082164	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Cl+CF3COOH"	148.962264
"1378050"	419.107224	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H-2H2O"	-35.012676
"1388987"	437.1172	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H-H2O"	-17.0027
"297058"	909.247076	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+H"	1.007276
"690574"	1363.366976	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+H"	1.007276
"1361820"	455.127176	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H"	1.007276
"139812"	455.127176	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+2H"	2.014552
"581344"	682.187126	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+2H"	2.014552
"1049632"	228.067226	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2H"	2.014552
"214252"	303.753876	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+3H"	3.021828
"649440"	455.127176	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+3H"	3.021828
"1169752"	152.380576	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+3H"	3.021828
"431933"	926.273623	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+NH4"	18.033823
"797302"	1380.393523	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+NH4"	18.033823
"1692540"	472.153723	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+NH4"	18.033823
"337536"	463.6404495	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+H+NH4"	19.041099
"731051"	690.7003995	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+H+NH4"	19.041099
"1481589"	236.5804995	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H+NH4"	19.041099
"398081"	931.229018	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+Na"	22.989218
"765636"	1385.348918	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+Na"	22.989218
"1615922"	477.109118	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Na"	22.989218
"324868"	466.118147	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+H+Na"	23.996494
"720207"	693.178097	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+H+Na"	23.996494
"1475481"	239.058197	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H+Na"	23.996494
"1057796"	159.70789	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2H+Na"	25.00377
"1263849"	487.153386	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+CH3OH+H"	33.033486
"386798"	947.202958	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+K"	38.963158
"749989"	1401.322858	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+K"	38.963158
"1553137"	493.083058	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+K"	38.963158
"312500"	474.105117	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+H+K"	39.970434
"702369"	701.165067	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+H+K"	39.970434
"1451085"	247.045167	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H+K"	39.970434
"244063"	950.273626	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+ACN+H"	42.033826
"1215676"	496.153726	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+ACN+H"	42.033826
"1200651"	248.580501	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+ACN+2H"	43.041102
"194611"	953.21096	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+2Na-H"	44.97116
"635264"	1407.33086	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+2Na-H"	44.97116
"1136589"	499.09106	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2Na-H"	44.97116
"182063"	477.109118	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+2Na"	45.978436
"618711"	704.169068	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+2Na"	45.978436
"1128786"	250.049168	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2Na"	45.978436
"1413283"	167.035204	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H+2Na"	46.985712
"1441873"	501.132646	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H+HCOOH"	47.012746
"228287"	482.14214	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+3H2O+2H"	56.04448
"1519266"	515.18469	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+IsoProp+H"	61.06479
"417129"	485.096088	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+Na+K"	61.952376
"771564"	712.156038	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+Na+K"	61.952376
"1670080"	258.036138	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Na+K"	61.952376
"257692"	972.255568	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+ACN+Na"	64.015768
"1234775"	518.135668	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+ACN+Na"	64.015768
"1720381"	518.159193	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+NH4+HCOOH"	64.039293
"1184643"	174.362518	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+3Na"	68.967654
"1656722"	523.114588	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Na+HCOOH"	68.994688
"163586"	985.15884	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+2K-H"	76.91904
"603147"	1439.27874	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+2K-H"	76.91904
"1087661"	531.03894	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2K-H"	76.91904
"148852"	493.083058	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"2M+2K"	77.926316
"582947"	720.143008	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"3M+2K"	77.926316
"1072926"	266.023108	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2K"	77.926316
"1103950"	533.053492	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2K+H"	78.933592
"1336078"	533.141107	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+DMSO+H"	79.021207
"1006070"	537.180276	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2ACN+H"	83.060376
"1526992"	538.173908	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+IsoProp+Na+H"	84.054008
"991254"	269.093776	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+2ACN+2H"	84.067652
"1587247"	539.088528	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+K+HCOOH"	84.968628
"1414814"	569.120038	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+H+CF3COOH"	115.000138
"1147244"	289.607051	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+3ACN+2H"	125.094202
"1703286"	586.146585	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+NH4+CF3COOH"	132.026685
"1637843"	591.10198	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+Na+CF3COOH"	136.98208
"1574589"	607.07592	"C11752"	"Carfecillin;Carbenicillin phenyl"	"C23H22N2O6S"	"454.1199"	"M+K+CF3COOH"	152.95602
"812613"	415.066	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M"	0
"986146"	396.04761	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-H2O-H"	-19.01839
"70013"	275.703390666667	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M-3H"	-3.021828
"511759"	414.058724	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M-3H"	-3.021828
"888467"	137.348057333333	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-3H"	-3.021828
"11414"	414.058724	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M-2H"	-2.014552
"452069"	621.591724	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M-2H"	-2.014552
"829872"	206.525724	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-2H"	-2.014552
"92296"	829.124724	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M-H"	-1.007276
"521775"	1244.190724	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M-H"	-1.007276
"903956"	414.058724	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-H"	-1.007276
"53958"	846.151271	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M-2H+NH4"	16.019271
"488291"	1261.217271	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M-2H+NH4"	16.019271
"873143"	431.085271	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-2H+NH4"	16.019271
"38130"	851.106666	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M-2H+Na"	20.974666
"482063"	1266.172666	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M-2H+Na"	20.974666
"856586"	436.040666	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-2H+Na"	20.974666
"1630493"	436.040666	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Na-2H"	20.974666
"103742"	432.047063	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M-H+Cl"	33.962126
"541116"	639.580063	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M-H+Cl"	33.962126
"933538"	224.514063	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-H+Cl"	33.962126
"269175"	865.101402	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+Cl"	34.969402
"665243"	1280.167402	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+Cl"	34.969402
"1281295"	450.035402	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Cl"	34.969402
"21662"	867.080606	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M-2H+K"	36.948606
"460137"	1282.146606	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M-2H+K"	36.948606
"839032"	452.014606	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-2H+K"	36.948606
"1557053"	452.014606	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+K-2H"	36.948606
"943959"	460.064194	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-H+HCOOH"	44.998194
"365337"	875.130201	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+HCOOH-H"	44.998201
"348126"	889.145851	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+Hac-H"	59.013851
"1501334"	474.079851	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Hac-H"	59.013851
"961220"	482.046151	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-H+NaCOOH"	66.980151
"116697"	450.035402	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+2Cl"	69.938804
"560632"	657.568402	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+2Cl"	69.938804
"1033441"	242.502402	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2Cl"	69.938804
"1255207"	493.984885	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Br"	78.918885
"1310365"	496.040872	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Cl+HCOOH"	80.974872
"1333328"	518.022829	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Cl+NaCOOH"	102.956829
"920011"	528.051586	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M-H+CF3COOH"	112.985586
"1300000"	564.028264	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Cl+CF3COOH"	148.962264
"1380347"	380.053324	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H-2H2O"	-35.012676
"1394566"	398.0633	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H-H2O"	-17.0027
"295345"	831.139276	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+H"	1.007276
"689593"	1246.205276	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+H"	1.007276
"1361930"	416.073276	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H"	1.007276
"139928"	416.073276	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+2H"	2.014552
"578758"	623.606276	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+2H"	2.014552
"1046462"	208.540276	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2H"	2.014552
"218373"	277.717942666667	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+3H"	3.021828
"655017"	416.073276	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+3H"	3.021828
"1172049"	139.362609333333	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+3H"	3.021828
"433135"	848.165823	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+NH4"	18.033823
"788298"	1263.231823	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+NH4"	18.033823
"1691554"	433.099823	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+NH4"	18.033823
"340927"	424.5865495	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+H+NH4"	19.041099
"733348"	632.1195495	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+H+NH4"	19.041099
"1482064"	217.0535495	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H+NH4"	19.041099
"399286"	853.121218	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+Na"	22.989218
"762467"	1268.187218	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+Na"	22.989218
"1614940"	438.055218	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Na"	22.989218
"324977"	427.064247	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+H+Na"	23.996494
"719585"	634.597247	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+H+Na"	23.996494
"1476528"	219.531247	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H+Na"	23.996494
"1061188"	146.689923333333	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2H+Na"	25.00377
"1265052"	448.099486	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+CH3OH+H"	33.033486
"385815"	869.095158	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+K"	38.963158
"748641"	1284.161158	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+K"	38.963158
"1547778"	454.029158	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+K"	38.963158
"310058"	435.051217	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+H+K"	39.970434
"697375"	642.584217	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+H+K"	39.970434
"1450102"	227.518217	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H+K"	39.970434
"241985"	872.165826	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+ACN+H"	42.033826
"1215786"	457.099826	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+ACN+H"	42.033826
"1198208"	229.053551	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+ACN+2H"	43.041102
"194720"	875.10316	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+2Na-H"	44.97116
"635739"	1290.16916	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+2Na-H"	44.97116
"1136700"	460.03716	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2Na-H"	44.97116
"182173"	438.055218	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+2Na"	45.978436
"617365"	645.588218	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+2Na"	45.978436
"1129260"	230.522218	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2Na"	45.978436
"1412057"	154.017237333333	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H+2Na"	46.985712
"1439796"	462.078746	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H+HCOOH"	47.012746
"228397"	443.08824	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+3H2O+2H"	56.04448
"1518646"	476.13079	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+IsoProp+H"	61.06479
"417238"	446.042188	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+Na+K"	61.952376
"773861"	653.575188	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+Na+K"	61.952376
"1676751"	238.509188	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Na+K"	61.952376
"265457"	894.147768	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+ACN+Na"	64.015768
"1238168"	479.081768	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+ACN+Na"	64.015768
"1724866"	479.105293	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+NH4+HCOOH"	64.039293
"1191315"	161.344551333333	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+3Na"	68.967654
"1663394"	484.060688	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Na+HCOOH"	68.994688
"168070"	907.05104	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+2K-H"	76.91904
"609090"	1322.11704	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+2K-H"	76.91904
"1091050"	491.98504	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2K-H"	76.91904
"151148"	454.029158	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"2M+2K"	77.926316
"586334"	661.562158	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"3M+2K"	77.926316
"1073034"	246.496158	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2K"	77.926316
"1102966"	493.999592	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2K+H"	78.933592
"1337645"	494.087207	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+DMSO+H"	79.021207
"1006661"	498.126376	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2ACN+H"	83.060376
"1527098"	499.120008	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+IsoProp+Na+H"	84.054008
"994640"	249.566826	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+2ACN+2H"	84.067652
"1589143"	500.034628	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+K+HCOOH"	84.968628
"1416993"	530.066138	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+H+CF3COOH"	115.000138
"1147764"	270.080101	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+3ACN+2H"	125.094202
"1703395"	547.092685	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+NH4+CF3COOH"	132.026685
"1635034"	552.04808	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+Na+CF3COOH"	136.98208
"1572874"	568.02202	"C11754"	"Cephaloridine;Cefaloridine"	"C19H17N3O4S2"	"415.066"	"M+K+CF3COOH"	152.95602
"805064"	392.0348	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M"	0
"987346"	373.01641	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-H2O-H"	-19.01839
"73404"	260.349257333333	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M-3H"	-3.021828
"506403"	391.027524	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M-3H"	-3.021828
"886392"	129.670990666667	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-3H"	-3.021828
"8246"	391.027524	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M-2H"	-2.014552
"445622"	587.044924	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M-2H"	-2.014552
"824515"	195.010124	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-2H"	-2.014552
"92406"	783.062324	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M-H"	-1.007276
"520793"	1175.097124	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M-H"	-1.007276
"909535"	391.027524	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-H"	-1.007276
"58444"	800.088871	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M-2H+NH4"	16.019271
"495817"	1192.123671	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M-2H+NH4"	16.019271
"873620"	408.054071	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-2H+NH4"	16.019271
"38604"	805.044266	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M-2H+Na"	20.974666
"482173"	1197.079066	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M-2H+Na"	20.974666
"863261"	413.009466	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-2H+Na"	20.974666
"1632798"	413.009466	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Na-2H"	20.974666
"102760"	409.015863	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M-H+Cl"	33.962126
"539403"	605.033263	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M-H+Cl"	33.962126
"939117"	212.998463	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-H+Cl"	33.962126
"274392"	819.039002	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+Cl"	34.969402
"667908"	1211.073802	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+Cl"	34.969402
"1278850"	427.004202	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Cl"	34.969402
"22501"	821.018206	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M-2H+K"	36.948606
"465716"	1213.053006	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M-2H+K"	36.948606
"834768"	428.983406	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-2H+K"	36.948606
"1559350"	428.983406	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+K-2H"	36.948606
"945046"	437.032994	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-H+HCOOH"	44.998194
"364355"	829.067801	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+HCOOH-H"	44.998201
"354799"	843.083451	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+Hac-H"	59.013851
"1503634"	451.048651	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Hac-H"	59.013851
"970081"	459.014951	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-H+NaCOOH"	66.980151
"115713"	427.004202	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+2Cl"	69.938804
"554179"	623.021602	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+2Cl"	69.938804
"1030633"	230.986802	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2Cl"	69.938804
"1252398"	470.953685	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Br"	78.918885
"1318373"	473.009672	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Cl+HCOOH"	80.974872
"1332344"	494.991629	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Cl+NaCOOH"	102.956829
"925835"	505.020386	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M-H+CF3COOH"	112.985586
"1301936"	540.997064	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Cl+CF3COOH"	148.962264
"1379368"	357.022124	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H-2H2O"	-35.012676
"1395770"	375.0321	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H-H2O"	-17.0027
"294363"	785.076876	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+H"	1.007276
"690066"	1177.111676	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+H"	1.007276
"1357668"	393.042076	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H"	1.007276
"131651"	393.042076	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+2H"	2.014552
"578870"	589.059476	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+2H"	2.014552
"1039647"	197.024676	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2H"	2.014552
"214474"	262.363809333333	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+3H"	3.021828
"652940"	393.042076	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+3H"	3.021828
"1168878"	131.685542666667	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+3H"	3.021828
"427046"	802.103423	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+NH4"	18.033823
"792054"	1194.138223	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+NH4"	18.033823
"1685102"	410.068623	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+NH4"	18.033823
"337756"	401.5553495	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+H+NH4"	19.041099
"732364"	597.5727495	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+H+NH4"	19.041099
"1482174"	205.5379495	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H+NH4"	19.041099
"401584"	807.058818	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+Na"	22.989218
"766952"	1199.093618	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+Na"	22.989218
"1612863"	415.024018	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Na"	22.989218
"326180"	404.033047	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+H+Na"	23.996494
"719697"	600.050447	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+H+Na"	23.996494
"1475340"	208.015647	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H+Na"	23.996494
"1058018"	139.012856666667	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2H+Na"	25.00377
"1259697"	425.068286	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+CH3OH+H"	33.033486
"379367"	823.032758	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+K"	38.963158
"743642"	1215.067558	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+K"	38.963158
"1543508"	430.997958	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+K"	38.963158
"303968"	412.020017	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+H+K"	39.970434
"698574"	608.037417	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+H+K"	39.970434
"1450211"	216.002617	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H+K"	39.970434
"239539"	826.103426	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+ACN+H"	42.033826
"1215892"	434.068626	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+ACN+H"	42.033826
"1196862"	217.537951	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+ACN+2H"	43.041102
"195931"	829.04076	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+2Na-H"	44.97116
"634395"	1221.07556	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+2Na-H"	44.97116
"1136082"	437.00596	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2Na-H"	44.97116
"177916"	415.024018	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+2Na"	45.978436
"616379"	611.041418	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+2Na"	45.978436
"1129734"	219.006618	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2Na"	45.978436
"1411807"	146.340170666667	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H+2Na"	46.985712
"1442828"	439.047546	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H+HCOOH"	47.012746
"232887"	420.05704	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+3H2O+2H"	56.04448
"1521312"	453.09959	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+IsoProp+H"	61.06479
"420631"	423.010988	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+Na+K"	61.952376
"779437"	619.028388	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+Na+K"	61.952376
"1674675"	226.993588	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Na+K"	61.952376
"260102"	848.085368	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+ACN+Na"	64.015768
"1233904"	456.050568	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+ACN+Na"	64.015768
"1721697"	456.074093	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+NH4+HCOOH"	64.039293
"1189237"	153.667484666667	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+3Na"	68.967654
"1663503"	461.029488	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Na+HCOOH"	68.994688
"168181"	860.98864	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+2K-H"	76.91904
"607742"	1253.02344	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+2K-H"	76.91904
"1088976"	468.95384	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2K-H"	76.91904
"149072"	430.997958	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"2M+2K"	77.926316
"586446"	627.015358	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"3M+2K"	77.926316
"1070109"	234.980558	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2K"	77.926316
"1103075"	470.968392	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2K+H"	78.933592
"1338369"	471.056007	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+DMSO+H"	79.021207
"1007021"	475.095176	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2ACN+H"	83.060376
"1527212"	476.088808	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+IsoProp+Na+H"	84.054008
"993662"	238.051226	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+2ACN+2H"	84.067652
"1590351"	477.003428	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+K+HCOOH"	84.968628
"1416008"	507.034938	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+H+CF3COOH"	115.000138
"1147391"	258.564501	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+3ACN+2H"	125.094202
"1706786"	524.061485	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+NH4+CF3COOH"	132.026685
"1638063"	529.01688	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+Na+CF3COOH"	136.98208
"1574807"	544.99082	"C11755"	"Epithienamycin E;MM13902"	"C13H16N2O8S2"	"392.0348"	"M+K+CF3COOH"	152.95602
"811737"	500.2985	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M"	0
"981991"	481.28011	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-H2O-H"	-19.01839
"75702"	332.525057333333	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M-3H"	-3.021828
"506513"	499.291224	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M-3H"	-3.021828
"886502"	165.758890666667	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-3H"	-3.021828
"5077"	499.291224	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M-2H"	-2.014552
"445730"	749.440474	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M-2H"	-2.014552
"825724"	249.141974	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-2H"	-2.014552
"91187"	999.589724	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M-H"	-1.007276
"532696"	1499.888224	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M-H"	-1.007276
"908554"	499.291224	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-H"	-1.007276
"62445"	1016.616271	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M-2H+NH4"	16.019271
"499209"	1516.914771	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M-2H+NH4"	16.019271
"872635"	516.317771	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-2H+NH4"	16.019271
"42724"	1021.571666	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M-2H+Na"	20.974666
"485568"	1521.870166	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M-2H+Na"	20.974666
"860088"	521.273166	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-2H+Na"	20.974666
"1631083"	521.273166	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Na-2H"	20.974666
"105057"	517.279563	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M-H+Cl"	33.962126
"546444"	767.428813	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M-H+Cl"	33.962126
"934855"	267.130313	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-H+Cl"	33.962126
"280702"	1035.566402	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+Cl"	34.969402
"674216"	1535.864902	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+Cl"	34.969402
"1284796"	535.267902	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Cl"	34.969402
"25175"	1037.545606	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M-2H+K"	36.948606
"466920"	1537.844106	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M-2H+K"	36.948606
"834273"	537.247106	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-2H+K"	36.948606
"1558367"	537.247106	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+K-2H"	36.948606
"945158"	545.296694	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-H+HCOOH"	44.998194
"366654"	1045.595201	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+HCOOH-H"	44.998201
"348716"	1059.610851	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+Hac-H"	59.013851
"1499371"	559.312351	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Hac-H"	59.013851
"962542"	567.278651	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-H+NaCOOH"	66.980151
"114000"	535.267902	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+2Cl"	69.938804
"552830"	785.417152	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+2Cl"	69.938804
"1028557"	285.118652	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2Cl"	69.938804
"1252508"	579.217385	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Br"	78.918885
"1316416"	581.273372	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Cl+HCOOH"	80.974872
"1329174"	603.255329	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Cl+NaCOOH"	102.956829
"924242"	613.284086	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M-H+CF3COOH"	112.985586
"1300221"	649.260764	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Cl+CF3COOH"	148.962264
"1377289"	465.285824	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H-2H2O"	-35.012676
"1395880"	483.2958	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H-H2O"	-17.0027
"297026"	1001.604276	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+H"	1.007276
"684711"	1501.902776	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+H"	1.007276
"1363244"	501.305776	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H"	1.007276
"131761"	501.305776	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+2H"	2.014552
"575694"	751.455026	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+2H"	2.014552
"1045589"	251.156526	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2H"	2.014552
"211302"	334.539609333333	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+3H"	3.021828
"650863"	501.305776	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+3H"	3.021828
"1168623"	167.773442666667	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+3H"	3.021828
"429345"	1018.630823	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+NH4"	18.033823
"793256"	1518.929323	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+NH4"	18.033823
"1690681"	518.332323	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+NH4"	18.033823
"338961"	509.8190495	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+H+NH4"	19.041099
"735756"	759.9682995	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+H+NH4"	19.041099
"1484109"	259.6697995	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H+NH4"	19.041099
"404611"	1023.586218	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+Na"	22.989218
"764874"	1523.884718	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+Na"	22.989218
"1611882"	523.287718	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Na"	22.989218
"327385"	512.296747	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+H+Na"	23.996494
"718714"	762.445997	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+H+Na"	23.996494
"1465974"	262.147497	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H+Na"	23.996494
"1058128"	175.100756666667	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2H+Na"	25.00377
"1267464"	533.331986	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+CH3OH+H"	33.033486
"384945"	1039.560158	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+K"	38.963158
"742661"	1539.858658	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+K"	38.963158
"1551278"	539.261658	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+K"	38.963158
"304078"	520.283717	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+H+K"	39.970434
"697595"	770.432967	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+H+K"	39.970434
"1450321"	270.134467	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H+K"	39.970434
"242200"	1042.630826	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+ACN+H"	42.033826
"1218187"	542.332326	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+ACN+H"	42.033826
"1203165"	271.669801	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+ACN+2H"	43.041102
"194580"	1045.56816	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+2Na-H"	44.97116
"637785"	1545.86666	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+2Na-H"	44.97116
"1140195"	545.26966	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2Na-H"	44.97116
"187749"	523.287718	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+2Na"	45.978436
"626705"	773.436968	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+2Na"	45.978436
"1129850"	273.138468	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2Na"	45.978436
"1411185"	182.428070666667	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H+2Na"	46.985712
"1438927"	547.311246	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H+HCOOH"	47.012746
"228622"	528.32074	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+3H2O+2H"	56.04448
"1516682"	561.36329	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+IsoProp+H"	61.06479
"416364"	531.274688	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+Na+K"	61.952376
"776634"	781.423938	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+Na+K"	61.952376
"1678797"	281.125438	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Na+K"	61.952376
"262398"	1064.612768	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+ACN+Na"	64.015768
"1234017"	564.314268	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+ACN+Na"	64.015768
"1722902"	564.337793	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+NH4+HCOOH"	64.039293
"1192266"	189.755384666667	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+3Na"	68.967654
"1658148"	569.293188	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Na+HCOOH"	68.994688
"165010"	1077.51604	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+2K-H"	76.91904
"606756"	1577.81454	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+2K-H"	76.91904
"1089450"	577.21754	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2K-H"	76.91904
"148088"	539.261658	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"2M+2K"	77.926316
"582790"	789.410908	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"3M+2K"	77.926316
"1071434"	289.112408	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2K"	77.926316
"1102576"	579.232092	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2K+H"	78.933592
"1338476"	579.319707	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+DMSO+H"	79.021207
"1010288"	583.358876	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2ACN+H"	83.060376
"1526230"	584.352508	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+IsoProp+Na+H"	84.054008
"992675"	292.183076	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+2ACN+2H"	84.067652
"1587418"	585.267128	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+K+HCOOH"	84.968628
"1416849"	615.298638	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+H+CF3COOH"	115.000138
"1157346"	312.696351	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+3ACN+2H"	125.094202
"1704710"	632.325185	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+NH4+CF3COOH"	132.026685
"1642550"	637.28058	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+Na+CF3COOH"	136.98208
"1581481"	653.25452	"C11758"	"Mupirocin"	"C26H44O9"	"500.2985"	"M+K+CF3COOH"	152.95602
"816101"	307.2147	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M"	0
"987569"	288.19631	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-H2O-H"	-19.01839
"75812"	203.802524	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M-3H"	-3.021828
"507716"	306.207424	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M-3H"	-3.021828
"889893"	101.397624	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-3H"	-3.021828
"9562"	306.207424	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M-2H"	-2.014552
"446935"	459.814774	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M-2H"	-2.014552
"830208"	152.600074	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-2H"	-2.014552
"91297"	613.422124	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M-H"	-1.007276
"532807"	920.636824	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M-H"	-1.007276
"905385"	306.207424	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-H"	-1.007276
"60853"	630.448671	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M-2H+NH4"	16.019271
"499319"	937.663371	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M-2H+NH4"	16.019271
"873840"	323.233971	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-2H+NH4"	16.019271
"45023"	635.404066	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M-2H+Na"	20.974666
"483493"	942.618766	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M-2H+Na"	20.974666
"862386"	328.189366	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-2H+Na"	20.974666
"1629733"	328.189366	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Na-2H"	20.974666
"104074"	324.195763	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M-H+Cl"	33.962126
"545825"	477.803113	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M-H+Cl"	33.962126
"934965"	170.588413	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-H+Cl"	33.962126
"274613"	649.398802	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+Cl"	34.969402
"674326"	956.613502	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+Cl"	34.969402
"1285635"	342.184102	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Cl"	34.969402
"24189"	651.378006	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M-2H+K"	36.948606
"463749"	958.592706	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M-2H+K"	36.948606
"837178"	344.163306	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-2H+K"	36.948606
"1558477"	344.163306	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+K-2H"	36.948606
"945268"	352.212894	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-H+HCOOH"	44.998194
"365671"	659.427601	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+HCOOH-H"	44.998201
"348462"	673.443251	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+Hac-H"	59.013851
"1496201"	366.228551	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Hac-H"	59.013851
"964109"	374.194851	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-H+NaCOOH"	66.980151
"113746"	342.184102	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+2Cl"	69.938804
"554399"	495.791452	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+2Cl"	69.938804
"1030852"	188.576752	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2Cl"	69.938804
"1254442"	386.133585	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Br"	78.918885
"1318471"	388.189572	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Cl+HCOOH"	80.974872
"1332565"	410.171529	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Cl+NaCOOH"	102.956829
"924353"	420.200286	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M-H+CF3COOH"	112.985586
"1301426"	456.176964	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Cl+CF3COOH"	148.962264
"1379588"	272.202024	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H-2H2O"	-35.012676
"1392710"	290.212	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H-H2O"	-17.0027
"296406"	615.436676	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+H"	1.007276
"684821"	922.651376	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+H"	1.007276
"1362261"	308.221976	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H"	1.007276
"135151"	308.221976	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+2H"	2.014552
"573619"	461.829326	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+2H"	2.014552
"1045699"	154.614626	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2H"	2.014552
"213600"	205.817076	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+3H"	3.021828
"649515"	308.221976	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+3H"	3.021828
"1168733"	103.412176	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+3H"	3.021828
"432372"	632.463223	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+NH4"	18.033823
"791543"	939.677923	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+NH4"	18.033823
"1688237"	325.248523	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+NH4"	18.033823
"339071"	316.7352495	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+H+NH4"	19.041099
"730399"	470.3425995	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+H+NH4"	19.041099
"1484218"	163.1278995	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H+NH4"	19.041099
"405082"	637.418618	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+Na"	22.989218
"761706"	944.633318	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+Na"	22.989218
"1608713"	330.203918	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Na"	22.989218
"326037"	319.212947	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+H+Na"	23.996494
"717729"	472.820297	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+H+Na"	23.996494
"1463898"	165.605597	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H+Na"	23.996494
"1054960"	110.73949	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2H+Na"	25.00377
"1268667"	340.248186	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+CH3OH+H"	33.033486
"387243"	653.392558	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+K"	38.963158
"740585"	960.607258	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+K"	38.963158
"1551388"	346.177858	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+K"	38.963158
"307468"	327.199917	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+H+K"	39.970434
"700985"	480.807267	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+H+K"	39.970434
"1449338"	173.592567	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H+K"	39.970434
"240124"	656.463226	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+ACN+H"	42.033826
"1217204"	349.248526	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+ACN+H"	42.033826
"1201089"	175.127901	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+ACN+2H"	43.041102
"195418"	659.40056	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+2Na-H"	44.97116
"636436"	966.61526	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+2Na-H"	44.97116
"1140306"	352.18586	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2Na-H"	44.97116
"188230"	330.203918	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+2Na"	45.978436
"625356"	483.811268	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+2Na"	45.978436
"1128863"	176.596568	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2Na"	45.978436
"1411295"	118.066804	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H+2Na"	46.985712
"1437944"	354.227446	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H+HCOOH"	47.012746
"227639"	335.23694	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+3H2O+2H"	56.04448
"1517885"	368.27949	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+IsoProp+H"	61.06479
"416475"	338.190888	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+Na+K"	61.952376
"778567"	491.798238	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+Na+K"	61.952376
"1678178"	184.583538	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Na+K"	61.952376
"261416"	678.445168	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+ACN+Na"	64.015768
"1233034"	371.230468	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+ACN+Na"	64.015768
"1724106"	371.253993	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+NH4+HCOOH"	64.039293
"1192376"	125.394118	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+3Na"	68.967654
"1659351"	376.209388	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Na+HCOOH"	68.994688
"167307"	691.34844	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+2K-H"	76.91904
"607960"	998.56314	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+2K-H"	76.91904
"1089561"	384.13374	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2K-H"	76.91904
"147105"	346.177858	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"2M+2K"	77.926316
"582780"	499.785208	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"3M+2K"	77.926316
"1072273"	192.570508	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2K"	77.926316
"1101350"	386.148292	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2K+H"	78.933592
"1337493"	386.235907	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+DMSO+H"	79.021207
"1010399"	390.275076	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2ACN+H"	83.060376
"1530713"	391.268708	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+IsoProp+Na+H"	84.054008
"993879"	195.641176	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+2ACN+2H"	84.067652
"1587283"	392.183328	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+K+HCOOH"	84.968628
"1418417"	422.214838	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+H+CF3COOH"	115.000138
"1156364"	216.154451	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+3ACN+2H"	125.094202
"1704820"	439.241385	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+NH4+CF3COOH"	132.026685
"1643753"	444.19678	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+Na+CF3COOH"	136.98208
"1581591"	460.17072	"C11760"	"Amprotropine"	"C18H29NO3"	"307.2147"	"M+K+CF3COOH"	152.95602
"814146"	397.198	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M"	0
"988772"	378.17961	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-H2O-H"	-19.01839
"74829"	263.791390666667	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M-3H"	-3.021828
"512200"	396.190724	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M-3H"	-3.021828
"892190"	131.392057333333	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-3H"	-3.021828
"9672"	396.190724	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M-2H"	-2.014552
"445951"	594.789724	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M-2H"	-2.014552
"823757"	197.591724	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-2H"	-2.014552
"91408"	793.388724	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M-H"	-1.007276
"530972"	1190.586724	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M-H"	-1.007276
"905495"	396.190724	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-H"	-1.007276
"59869"	810.415271	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M-2H+NH4"	16.019271
"498337"	1207.613271	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M-2H+NH4"	16.019271
"876138"	413.217271	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-2H+NH4"	16.019271
"41854"	815.370666	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M-2H+Na"	20.974666
"482506"	1212.568666	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M-2H+Na"	20.974666
"857028"	418.172666	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-2H+Na"	20.974666
"1622552"	418.172666	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Na-2H"	20.974666
"103091"	414.179063	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M-H+Cl"	33.962126
"544841"	612.778063	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M-H+Cl"	33.962126
"935074"	215.580063	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-H+Cl"	33.962126
"274723"	829.365402	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+Cl"	34.969402
"669332"	1226.563402	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+Cl"	34.969402
"1285380"	432.167402	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Cl"	34.969402
"23206"	831.344606	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M-2H+K"	36.948606
"466775"	1228.542606	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M-2H+K"	36.948606
"838381"	434.146606	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-2H+K"	36.948606
"1560775"	434.146606	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+K-2H"	36.948606
"944285"	442.196194	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-H+HCOOH"	44.998194
"371247"	839.394201	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+HCOOH-H"	44.998201
"357318"	853.409851	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+Hac-H"	59.013851
"1501778"	456.211851	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Hac-H"	59.013851
"962763"	464.178151	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-H+NaCOOH"	66.980151
"111667"	432.167402	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+2Cl"	69.938804
"551957"	630.766402	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+2Cl"	69.938804
"1027683"	233.568402	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2Cl"	69.938804
"1250544"	476.116885	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Br"	78.918885
"1318096"	478.172872	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Cl+HCOOH"	80.974872
"1332311"	500.154829	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Cl+NaCOOH"	102.956829
"921549"	510.183586	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M-H+CF3COOH"	112.985586
"1299350"	546.160264	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Cl+CF3COOH"	148.962264
"1379698"	362.185324	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H-2H2O"	-35.012676
"1396100"	380.1953	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H-H2O"	-17.0027
"296518"	795.403276	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+H"	1.007276
"684930"	1192.601276	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+H"	1.007276
"1364558"	398.205276	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H"	1.007276
"138543"	398.205276	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+2H"	2.014552
"572636"	596.804276	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+2H"	2.014552
"1045808"	199.606276	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2H"	2.014552
"210430"	265.805942666667	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+3H"	3.021828
"653270"	398.205276	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+3H"	3.021828
"1174676"	133.406609333333	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+3H"	3.021828
"434669"	812.429823	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+NH4"	18.033823
"798947"	1209.627823	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+NH4"	18.033823
"1691996"	415.231823	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+NH4"	18.033823
"343434"	406.7185495	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+H+NH4"	19.041099
"734883"	605.3175495	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+H+NH4"	19.041099
"1490523"	208.1195495	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H+NH4"	19.041099
"406531"	817.385218	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+Na"	22.989218
"766919"	1214.583218	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+Na"	22.989218
"1617449"	420.187218	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Na"	22.989218
"324323"	409.196247	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+H+Na"	23.996494
"716745"	607.795247	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+H+Na"	23.996494
"1465102"	210.597247	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H+Na"	23.996494
"1058350"	140.733923333333	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2H+Na"	25.00377
"1264404"	430.231486	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+CH3OH+H"	33.033486
"382980"	833.359158	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+K"	38.963158
"738519"	1230.557158	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+K"	38.963158
"1540560"	436.161158	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+K"	38.963158
"301017"	417.183217	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+H+K"	39.970434
"694530"	615.782217	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+H+K"	39.970434
"1452726"	218.584217	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H+K"	39.970434
"241328"	836.429826	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+ACN+H"	42.033826
"1218410"	439.231826	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+ACN+H"	42.033826
"1201200"	220.119551	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+ACN+2H"	43.041102
"197353"	839.36716	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+2Na-H"	44.97116
"639829"	1236.56516	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+2Na-H"	44.97116
"1139323"	442.16916	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2Na-H"	44.97116
"188099"	420.187218	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+2Na"	45.978436
"626562"	618.786218	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+2Na"	45.978436
"1129226"	221.588218	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2Na"	45.978436
"1411042"	148.061237333333	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H+2Na"	46.985712
"1436961"	444.210746	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H+HCOOH"	47.012746
"228842"	425.22024	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+3H2O+2H"	56.04448
"1520913"	458.26279	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+IsoProp+H"	61.06479
"417680"	428.174188	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+Na+K"	61.952376
"781958"	626.773188	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+Na+K"	61.952376
"1678288"	229.575188	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Na+K"	61.952376
"263711"	858.411768	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+ACN+Na"	64.015768
"1238247"	461.213768	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+ACN+Na"	64.015768
"1724217"	461.237293	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+NH4+HCOOH"	64.039293
"1190667"	155.388551333333	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+3Na"	68.967654
"1660193"	466.192688	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Na+HCOOH"	68.994688
"168512"	871.31504	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+2K-H"	76.91904
"604429"	1268.51304	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+2K-H"	76.91904
"1091493"	474.11704	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2K-H"	76.91904
"146125"	436.161158	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"2M+2K"	77.926316
"583499"	634.760158	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"3M+2K"	77.926316
"1072383"	237.562158	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2K"	77.926316
"1104497"	476.131592	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2K+H"	78.933592
"1337601"	476.219207	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+DMSO+H"	79.021207
"1008319"	480.258376	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2ACN+H"	83.060376
"1527538"	481.252008	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+IsoProp+Na+H"	84.054008
"992168"	240.632826	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+2ACN+2H"	84.067652
"1587105"	482.166628	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+K+HCOOH"	84.968628
"1418527"	512.198138	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+H+CF3COOH"	115.000138
"1155380"	261.146101	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+3ACN+2H"	125.094202
"1702744"	529.224685	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+NH4+CF3COOH"	132.026685
"1640583"	534.18008	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+Na+CF3COOH"	136.98208
"1581701"	550.15402	"C11761"	"Tridihexethyl bromide"	"C21H36NOBr"	"397.198"	"M+K+CF3COOH"	152.95602
"815349"	403.1914	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M"	0
"988885"	384.17301	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-H2O-H"	-19.01839
"76032"	267.786990666667	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M-3H"	-3.021828
"513405"	402.184124	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M-3H"	-3.021828
"894488"	133.389857333333	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-3H"	-3.021828
"9783"	402.184124	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M-2H"	-2.014552
"447156"	603.779824	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M-2H"	-2.014552
"824960"	200.588424	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-2H"	-2.014552
"91517"	805.375524	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M-H"	-1.007276
"528896"	1208.566924	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M-H"	-1.007276
"906698"	402.184124	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-H"	-1.007276
"56700"	822.402071	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M-2H+NH4"	16.019271
"499539"	1225.593471	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M-2H+NH4"	16.019271
"878314"	419.210671	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-2H+NH4"	16.019271
"44516"	827.357466	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M-2H+Na"	20.974666
"481524"	1230.548866	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M-2H+Na"	20.974666
"857138"	424.166066	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-2H+Na"	20.974666
"1620473"	424.166066	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Na-2H"	20.974666
"103201"	420.172463	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M-H+Cl"	33.962126
"537655"	621.768163	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M-H+Cl"	33.962126
"935184"	218.576763	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-H+Cl"	33.962126
"274833"	841.352202	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+Cl"	34.969402
"667256"	1244.543602	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+Cl"	34.969402
"1284032"	438.160802	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Cl"	34.969402
"23316"	843.331406	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M-2H+K"	36.948606
"466156"	1246.522806	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M-2H+K"	36.948606
"838491"	440.140006	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-2H+K"	36.948606
"1558699"	440.140006	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+K-2H"	36.948606
"946581"	448.189594	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-H+HCOOH"	44.998194
"366982"	851.381001	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+HCOOH-H"	44.998201
"350868"	865.396651	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+Hac-H"	59.013851
"1501888"	462.205251	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Hac-H"	59.013851
"962875"	470.171551	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-H+NaCOOH"	66.980151
"116156"	438.160802	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+2Cl"	69.938804
"555715"	639.756502	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+2Cl"	69.938804
"1029982"	236.565102	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2Cl"	69.938804
"1253933"	482.110285	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Br"	78.918885
"1316384"	484.166272	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Cl+HCOOH"	80.974872
"1332785"	506.148229	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Cl+NaCOOH"	102.956829
"923847"	516.176986	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M-H+CF3COOH"	112.985586
"1300556"	552.153664	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Cl+CF3COOH"	148.962264
"1381510"	368.178724	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H-2H2O"	-35.012676
"1397791"	386.1887	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H-H2O"	-17.0027
"298208"	807.390076	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+H"	1.007276
"683946"	1210.581476	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+H"	1.007276
"1365399"	404.198676	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H"	1.007276
"139380"	404.198676	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+2H"	2.014552
"572747"	605.794376	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+2H"	2.014552
"1043732"	202.602976	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2H"	2.014552
"210175"	269.801542666667	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+3H"	3.021828
"658726"	404.198676	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+3H"	3.021828
"1170047"	135.404409333333	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+3H"	3.021828
"434780"	824.416623	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+NH4"	18.033823
"799785"	1227.608023	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+NH4"	18.033823
"1693199"	421.225223	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+NH4"	18.033823
"343666"	412.7119495	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+H+NH4"	19.041099
"734993"	614.3076495	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+H+NH4"	19.041099
"1491727"	211.1162495	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H+NH4"	19.041099
"407369"	829.372018	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+Na"	22.989218
"768122"	1232.563418	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+Na"	22.989218
"1617556"	426.180618	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Na"	22.989218
"323339"	415.189647	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+H+Na"	23.996494
"716855"	616.785347	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+H+Na"	23.996494
"1468492"	213.593947	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H+Na"	23.996494
"1061740"	142.731723333333	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2H+Na"	25.00377
"1266700"	436.224886	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+CH3OH+H"	33.033486
"387101"	845.345958	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+K"	38.963158
"752464"	1248.537358	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+K"	38.963158
"1541031"	442.154558	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+K"	38.963158
"302584"	423.176617	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+H+K"	39.970434
"694641"	624.772317	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+H+K"	39.970434
"1452836"	221.580917	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H+K"	39.970434
"241438"	848.416626	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+ACN+H"	42.033826
"1216333"	445.225226	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+ACN+H"	42.033826
"1201310"	223.116251	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+ACN+2H"	43.041102
"195277"	851.35396	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+2Na-H"	44.97116
"639940"	1254.54536	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+2Na-H"	44.97116
"1138342"	448.16256	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2Na-H"	44.97116
"187725"	426.180618	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+2Na"	45.978436
"627159"	627.776318	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+2Na"	45.978436
"1130061"	224.584918	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2Na"	45.978436
"1409328"	150.059037333333	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H+2Na"	46.985712
"1437071"	450.204146	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H+HCOOH"	47.012746
"226765"	431.21364	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+3H2O+2H"	56.04448
"1517013"	464.25619	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+IsoProp+H"	61.06479
"414873"	434.167588	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+Na+K"	61.952376
"778785"	635.763288	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+Na+K"	61.952376
"1676211"	232.571888	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Na+K"	61.952376
"263821"	870.398568	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+ACN+Na"	64.015768
"1239453"	467.207168	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+ACN+Na"	64.015768
"1725421"	467.230693	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+NH4+HCOOH"	64.039293
"1191871"	157.386351333333	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+3Na"	68.967654
"1661034"	472.186088	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Na+HCOOH"	68.994688
"168986"	883.30184	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+2K-H"	76.91904
"607453"	1286.49324	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+2K-H"	76.91904
"1091602"	480.11044	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2K-H"	76.91904
"147328"	442.154558	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"2M+2K"	77.926316
"582757"	643.750258	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"3M+2K"	77.926316
"1071401"	240.558858	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2K"	77.926316
"1104607"	482.124992	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2K+H"	78.933592
"1338806"	482.212607	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+DMSO+H"	79.021207
"1010617"	486.251776	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2ACN+H"	83.060376
"1526920"	487.245408	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+IsoProp+Na+H"	84.054008
"993008"	243.629526	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+2ACN+2H"	84.067652
"1589696"	488.160028	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+K+HCOOH"	84.968628
"1416451"	518.191538	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+H+CF3COOH"	115.000138
"1154397"	264.142801	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+3ACN+2H"	125.094202
"1703947"	535.218085	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+NH4+CF3COOH"	132.026685
"1641786"	540.17348	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+Na+CF3COOH"	136.98208
"1581811"	556.14742	"C11762"	"Propantheline chloride"	"C23H30NO3Cl"	"403.1914"	"M+K+CF3COOH"	152.95602
"815459"	222.1368	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M"	0
"988632"	203.11841	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-H2O-H"	-19.01839
"71767"	147.083924	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M-3H"	-3.021828
"514608"	221.129524	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M-3H"	-3.021828
"891317"	73.038324	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-3H"	-3.021828
"9893"	221.129524	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M-2H"	-2.014552
"445079"	332.197924	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M-2H"	-2.014552
"826163"	110.061124	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-2H"	-2.014552
"91506"	443.266324	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M-H"	-1.007276
"531191"	665.403124	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M-H"	-1.007276
"909965"	221.129524	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-H"	-1.007276
"58993"	460.292871	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M-2H+NH4"	16.019271
"499649"	682.429671	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M-2H+NH4"	16.019271
"878910"	238.156071	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-2H+NH4"	16.019271
"45354"	465.248266	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M-2H+Na"	20.974666
"481634"	687.385066	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M-2H+Na"	20.974666
"854696"	243.111466	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-2H+Na"	20.974666
"1620218"	243.111466	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Na-2H"	20.974666
"106590"	239.117863	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M-H+Cl"	33.962126
"538130"	350.186263	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M-H+Cl"	33.962126
"933106"	128.049463	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-H+Cl"	33.962126
"276036"	479.243002	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+Cl"	34.969402
"669551"	701.379802	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+Cl"	34.969402
"1283048"	257.106202	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Cl"	34.969402
"23426"	481.222206	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M-2H+K"	36.948606
"464079"	703.359006	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M-2H+K"	36.948606
"835321"	259.085406	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-2H+K"	36.948606
"1558808"	259.085406	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+K-2H"	36.948606
"945597"	267.134994	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-H+HCOOH"	44.998194
"367092"	489.271801	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+HCOOH-H"	44.998201
"350977"	503.287451	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+Hac-H"	59.013851
"1500905"	281.150651	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Hac-H"	59.013851
"963349"	289.116951	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-H+NaCOOH"	66.980151
"112986"	257.106202	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+2Cl"	69.938804
"556920"	368.174602	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+2Cl"	69.938804
"1030091"	146.037802	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2Cl"	69.938804
"1252950"	301.055685	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Br"	78.918885
"1315400"	303.111672	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Cl+HCOOH"	80.974872
"1331802"	325.093629	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Cl+NaCOOH"	102.956829
"923956"	335.122386	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M-H+CF3COOH"	112.985586
"1301395"	371.099064	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Cl+CF3COOH"	148.962264
"1382105"	187.124124	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H-2H2O"	-35.012676
"1398347"	205.1341	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H-H2O"	-17.0027
"296007"	445.280876	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+H"	1.007276
"684057"	667.417676	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+H"	1.007276
"1362593"	223.144076	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H"	1.007276
"137669"	223.144076	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+2H"	2.014552
"572856"	334.212476	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+2H"	2.014552
"1042020"	112.075676	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2H"	2.014552
"212836"	149.098476	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+3H"	3.021828
"655677"	223.144076	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+3H"	3.021828
"1170522"	75.052876	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+3H"	3.021828
"435982"	462.307423	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+NH4"	18.033823
"798071"	684.444223	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+NH4"	18.033823
"1694402"	240.170623	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+NH4"	18.033823
"343775"	231.6573495	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+H+NH4"	19.041099
"735103"	342.7257495	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+H+NH4"	19.041099
"1490744"	120.5889495	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H+NH4"	19.041099
"405778"	467.262818	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+Na"	22.989218
"767139"	689.399618	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+Na"	22.989218
"1615599"	245.126018	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Na"	22.989218
"322356"	234.135047	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+H+Na"	23.996494
"715872"	345.203447	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+H+Na"	23.996494
"1469695"	123.066647	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H+Na"	23.996494
"1061850"	82.38019	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2H+Na"	25.00377
"1266810"	255.170286	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+CH3OH+H"	33.033486
"387940"	483.236758	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+K"	38.963158
"752574"	705.373558	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+K"	38.963158
"1541505"	261.099958	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+K"	38.963158
"304517"	242.122017	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+H+K"	39.970434
"696937"	353.190417	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+H+K"	39.970434
"1454038"	131.053617	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H+K"	39.970434
"243735"	486.307426	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+ACN+H"	42.033826
"1217536"	264.170626	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+ACN+H"	42.033826
"1202512"	132.588951	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+ACN+2H"	43.041102
"193927"	489.24476	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+2Na-H"	44.97116
"641143"	711.38156	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+2Na-H"	44.97116
"1138451"	267.10796	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2Na-H"	44.97116
"187594"	245.126018	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+2Na"	45.978436
"627512"	356.194418	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+2Na"	45.978436
"1130291"	134.057618	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2Na"	45.978436
"1409438"	89.707504	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H+2Na"	46.985712
"1438274"	269.149546	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H+HCOOH"	47.012746
"225781"	250.15904	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+3H2O+2H"	56.04448
"1516029"	283.20159	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+IsoProp+H"	61.06479
"415712"	253.112988	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+Na+K"	61.952376
"777073"	364.181388	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+Na+K"	61.952376
"1675228"	142.044588	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Na+K"	61.952376
"265025"	508.289368	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+ACN+Na"	64.015768
"1237372"	286.152568	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+ACN+Na"	64.015768
"1725895"	286.176093	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+NH4+HCOOH"	64.039293
"1192345"	97.034818	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+3Na"	68.967654
"1660414"	291.131488	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Na+HCOOH"	68.994688
"169462"	521.19264	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+2K-H"	76.91904
"607198"	743.32944	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+2K-H"	76.91904
"1092806"	299.05584	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2K-H"	76.91904
"145251"	261.099958	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"2M+2K"	77.926316
"583717"	372.168358	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"3M+2K"	77.926316
"1071511"	150.031558	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2K"	77.926316
"1104717"	301.070392	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2K+H"	78.933592
"1338916"	301.158007	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+DMSO+H"	79.021207
"1009634"	305.197176	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2ACN+H"	83.060376
"1526666"	306.190808	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+IsoProp+Na+H"	84.054008
"994211"	153.102226	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+2ACN+2H"	84.067652
"1590899"	307.105428	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+K+HCOOH"	84.968628
"1417654"	337.136938	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+H+CF3COOH"	115.000138
"1156693"	173.615501	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+3ACN+2H"	125.094202
"1704057"	354.163485	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+NH4+CF3COOH"	132.026685
"1641896"	359.11888	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+Na+CF3COOH"	136.98208
"1581921"	375.09282	"C11763"	"Miotine"	"C12H18N2O2"	"222.1368"	"M+K+CF3COOH"	152.95602
"814476"	140.0402	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M"	0
"988377"	121.02181	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-H2O-H"	-19.01839
"67504"	92.3528573333333	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M-3H"	-3.021828
"511438"	139.032924	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M-3H"	-3.021828
"889240"	45.6727906666667	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-3H"	-3.021828
"10003"	139.032924	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M-2H"	-2.014552
"445189"	209.053024	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M-2H"	-2.014552
"824087"	69.012824	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-2H"	-2.014552
"91737"	279.073124	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M-H"	-1.007276
"529115"	419.113324	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M-H"	-1.007276
"906915"	139.032924	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-H"	-1.007276
"52906"	296.099671	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M-2H+NH4"	16.019271
"497572"	436.139871	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M-2H+NH4"	16.019271
"876468"	156.059471	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-2H+NH4"	16.019271
"44369"	301.055066	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M-2H+Na"	20.974666
"477369"	441.095266	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M-2H+Na"	20.974666
"852618"	161.014866	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-2H+Na"	20.974666
"1619353"	161.014866	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Na-2H"	20.974666
"97951"	157.021263	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M-H+Cl"	33.962126
"538604"	227.041363	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M-H+Cl"	33.962126
"930296"	87.001163	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-H+Cl"	33.962126
"276146"	315.049802	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+Cl"	34.969402
"668568"	455.090002	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+Cl"	34.969402
"1283158"	175.009602	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Cl"	34.969402
"24629"	317.029006	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M-2H+K"	36.948606
"466376"	457.069206	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M-2H+K"	36.948606
"836524"	176.988806	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-2H+K"	36.948606
"1558917"	176.988806	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+K-2H"	36.948606
"944978"	185.038394	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-H+HCOOH"	44.998194
"365015"	325.078601	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+HCOOH-H"	44.998201
"350358"	339.094251	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+Hac-H"	59.013851
"1499920"	199.054051	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Hac-H"	59.013851
"964188"	207.020351	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-H+NaCOOH"	66.980151
"114552"	175.009602	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+2Cl"	69.938804
"558123"	245.029702	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+2Cl"	69.938804
"1025828"	104.989502	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2Cl"	69.938804
"1248687"	218.959085	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Br"	78.918885
"1316604"	221.015072	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Cl+HCOOH"	80.974872
"1330818"	242.997029	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Cl+NaCOOH"	102.956829
"924795"	253.025786	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M-H+CF3COOH"	112.985586
"1299681"	289.002464	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Cl+CF3COOH"	148.962264
"1378934"	105.027524	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H-2H2O"	-35.012676
"1396066"	123.0375	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H-H2O"	-17.0027
"295753"	281.087676	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+H"	1.007276
"680521"	421.127876	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+H"	1.007276
"1360516"	141.047476	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H"	1.007276
"135591"	141.047476	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+2H"	2.014552
"567131"	211.067576	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+2H"	2.014552
"1038481"	71.027376	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2H"	2.014552
"211852"	94.3674093333333	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+3H"	3.021828
"651413"	141.047476	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+3H"	3.021828
"1170630"	47.6873426666667	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+3H"	3.021828
"429893"	298.114223	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+NH4"	18.033823
"791984"	438.154423	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+NH4"	18.033823
"1689044"	158.074023	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+NH4"	18.033823
"339512"	149.5607495	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+H+NH4"	19.041099
"735214"	219.5808495	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+H+NH4"	19.041099
"1485752"	79.5406495	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H+NH4"	19.041099
"403334"	303.069618	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+Na"	22.989218
"763239"	443.109818	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+Na"	22.989218
"1609152"	163.029418	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Na"	22.989218
"324653"	152.038447	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+H+Na"	23.996494
"711608"	222.058547	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+H+Na"	23.996494
"1463244"	82.018347	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H+Na"	23.996494
"1055401"	55.0146566666667	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2H+Na"	25.00377
"1263637"	173.073686	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+CH3OH+H"	33.033486
"385494"	319.043558	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+K"	38.963158
"739806"	459.083758	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+K"	38.963158
"1542711"	179.003358	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+K"	38.963158
"300981"	160.025417	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+H+K"	39.970434
"691779"	230.045517	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+H+K"	39.970434
"1448680"	90.005317	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H+K"	39.970434
"239470"	322.114226	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+ACN+H"	42.033826
"1216553"	182.074026	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+ACN+H"	42.033826
"1199342"	91.540651	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+ACN+2H"	43.041102
"192216"	325.05156	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+2Na-H"	44.97116
"637245"	465.09176	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+2Na-H"	44.97116
"1135282"	185.01136	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2Na-H"	44.97116
"181858"	163.029418	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+2Na"	45.978436
"627505"	233.049518	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+2Na"	45.978436
"1130279"	93.009318	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2Na"	45.978436
"1407361"	62.3419706666667	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H+2Na"	46.985712
"1438384"	187.052946	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H+HCOOH"	47.012746
"224798"	168.06244	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+3H2O+2H"	56.04448
"1515045"	201.10499	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+IsoProp+H"	61.06479
"414729"	171.016388	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+Na+K"	61.952376
"775726"	241.036488	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+Na+K"	61.952376
"1673151"	100.996288	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Na+K"	61.952376
"265134"	344.096168	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+ACN+Na"	64.015768
"1236753"	204.055968	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+ACN+Na"	64.015768
"1725639"	204.079493	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+NH4+HCOOH"	64.039293
"1192090"	69.6692846666667	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+3Na"	68.967654
"1660888"	209.034888	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Na+HCOOH"	68.994688
"169571"	356.99944	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+2K-H"	76.91904
"607308"	497.03964	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+2K-H"	76.91904
"1091823"	216.95924	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2K-H"	76.91904
"148642"	179.003358	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"2M+2K"	77.926316
"588201"	249.023458	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"3M+2K"	77.926316
"1077088"	108.983258	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2K"	77.926316
"1101060"	218.973792	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2K+H"	78.933592
"1337933"	219.061407	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+DMSO+H"	79.021207
"1007679"	223.100576	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2ACN+H"	83.060376
"1525438"	224.094208	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+IsoProp+Na+H"	84.054008
"992134"	112.053926	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+2ACN+2H"	84.067652
"1588823"	225.008828	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+K+HCOOH"	84.968628
"1416671"	255.040338	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+H+CF3COOH"	115.000138
"1155710"	132.567201	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+3ACN+2H"	125.094202
"1704167"	272.066885	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+NH4+CF3COOH"	132.026685
"1642006"	277.02228	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+Na+CF3COOH"	136.98208
"1582031"	292.99622	"C11764"	"Sarin"	"C4H10FO2P"	"140.0402"	"M+K+CF3COOH"	152.95602
"816651"	138.0793	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M"	0
"989723"	119.06091	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-H2O-H"	-19.01839
"76363"	91.0455906666667	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M-3H"	-3.021828
"517016"	137.072024	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M-3H"	-3.021828
"894454"	45.0191573333333	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-3H"	-3.021828
"10113"	137.072024	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M-2H"	-2.014552
"449673"	206.111674	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M-2H"	-2.014552
"827476"	68.032374	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-2H"	-2.014552
"85286"	275.151324	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M-H"	-1.007276
"524852"	413.230624	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M-H"	-1.007276
"907025"	137.072024	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-H"	-1.007276
"59213"	292.177871	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M-2H+NH4"	16.019271
"498775"	430.257171	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M-2H+NH4"	16.019271
"879494"	154.098571	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-2H+NH4"	16.019271
"41200"	297.133266	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M-2H+Na"	20.974666
"478575"	435.212566	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M-2H+Na"	20.974666
"853824"	159.053966	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-2H+Na"	20.974666
"1624813"	159.053966	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Na-2H"	20.974666
"95507"	155.060363	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M-H+Cl"	33.962126
"537985"	224.100013	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M-H+Cl"	33.962126
"931501"	86.020713	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-H+Cl"	33.962126
"271881"	311.128002	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+Cl"	34.969402
"669771"	449.207302	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+Cl"	34.969402
"1283268"	173.048702	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Cl"	34.969402
"23645"	313.107206	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M-2H+K"	36.948606
"468673"	451.186506	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M-2H+K"	36.948606
"838821"	175.027906	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-2H+K"	36.948606
"1562310"	175.027906	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+K-2H"	36.948606
"950191"	183.077494	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-H+HCOOH"	44.998194
"366219"	321.156801	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+HCOOH-H"	44.998201
"353384"	335.172451	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+Hac-H"	59.013851
"1500394"	197.093151	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Hac-H"	59.013851
"962839"	205.059451	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-H+NaCOOH"	66.980151
"113568"	173.048702	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+2Cl"	69.938804
"559327"	242.088352	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+2Cl"	69.938804
"1028125"	104.009052	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2Cl"	69.938804
"1250985"	216.998185	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Br"	78.918885
"1316715"	219.054172	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Cl+HCOOH"	80.974872
"1333117"	241.036129	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Cl+NaCOOH"	102.956829
"923450"	251.064886	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M-H+CF3COOH"	112.985586
"1301978"	287.041564	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Cl+CF3COOH"	148.962264
"1382206"	103.066624	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H-2H2O"	-35.012676
"1395449"	121.0766	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H-H2O"	-17.0027
"294042"	277.165876	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+H"	1.007276
"680997"	415.245176	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+H"	1.007276
"1364999"	139.086576	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H"	1.007276
"137887"	139.086576	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+2H"	2.014552
"570890"	208.126226	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+2H"	2.014552
"1040057"	70.046926	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2H"	2.014552
"206496"	93.0601426666667	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+3H"	3.021828
"646783"	139.086576	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+3H"	3.021828
"1168191"	47.0337093333333	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+3H"	3.021828
"431830"	294.192423	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+NH4"	18.033823
"791364"	432.271723	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+NH4"	18.033823
"1690247"	156.113123	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+NH4"	18.033823
"341808"	147.5998495	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+H+NH4"	19.041099
"736053"	216.6394995	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+H+NH4"	19.041099
"1490236"	78.5601995	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H+NH4"	19.041099
"401262"	299.147818	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+Na"	22.989218
"762257"	437.227118	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+Na"	22.989218
"1610355"	161.068518	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Na"	22.989218
"324764"	150.077547	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+H+Na"	23.996494
"716092"	219.117197	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+H+Na"	23.996494
"1473192"	81.037897	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H+Na"	23.996494
"1065345"	54.3610233333333	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2H+Na"	25.00377
"1272414"	171.112786	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+CH3OH+H"	33.033486
"385603"	315.121758	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+K"	38.963158
"741502"	453.201058	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+K"	38.963158
"1544279"	177.042458	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+K"	38.963158
"302549"	158.064517	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+H+K"	39.970434
"696063"	227.104167	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+H+K"	39.970434
"1452071"	89.024867	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H+K"	39.970434
"239580"	318.192426	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+ACN+H"	42.033826
"1216663"	180.113126	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+ACN+H"	42.033826
"1202733"	90.560201	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+ACN+2H"	43.041102
"197790"	321.12976	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+2Na-H"	44.97116
"637354"	459.20906	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+2Na-H"	44.97116
"1133936"	183.05046	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2Na-H"	44.97116
"188045"	161.068518	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+2Na"	45.978436
"627975"	230.108168	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+2Na"	45.978436
"1130504"	92.028868	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2Na"	45.978436
"1410752"	61.6883373333333	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H+2Na"	46.985712
"1441775"	185.092046	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H+HCOOH"	47.012746
"228189"	166.10154	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+3H2O+2H"	56.04448
"1517344"	199.14409	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+IsoProp+H"	61.06479
"418120"	169.055488	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+Na+K"	61.952376
"777293"	238.095138	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+Na+K"	61.952376
"1674355"	100.015838	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Na+K"	61.952376
"263059"	340.174368	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+ACN+Na"	64.015768
"1235770"	202.095068	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+ACN+Na"	64.015768
"1724654"	202.118593	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+NH4+HCOOH"	64.039293
"1191106"	69.0156513333333	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+3Na"	68.967654
"1660998"	207.073988	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Na+HCOOH"	68.994688
"170046"	353.07764	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+2K-H"	76.91904
"605233"	491.15694	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+2K-H"	76.91904
"1093024"	214.99834	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2K-H"	76.91904
"148751"	177.042458	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"2M+2K"	77.926316
"590499"	246.082108	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"3M+2K"	77.926316
"1078292"	108.002808	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2K"	77.926316
"1110045"	217.012892	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2K+H"	78.933592
"1339136"	217.100507	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+DMSO+H"	79.021207
"1009853"	221.139676	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2ACN+H"	83.060376
"1525424"	222.133308	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+IsoProp+Na+H"	84.054008
"990900"	111.073476	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+2ACN+2H"	84.067652
"1591119"	223.047928	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+K+HCOOH"	84.968628
"1418967"	253.079438	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+H+CF3COOH"	115.000138
"1156913"	131.586751	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+3ACN+2H"	125.094202
"1704277"	270.105985	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+NH4+CF3COOH"	132.026685
"1643209"	275.06138	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+Na+CF3COOH"	136.98208
"1582141"	291.03532	"C11765"	"1-Methyl-16-dihydropyridine-2-carbaldoxime;ProPAM"	"C7H10N2O"	"138.0793"	"M+K+CF3COOH"	152.95602
"814695"	250.1681	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M"	0
"987867"	231.14971	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-H2O-H"	-19.01839
"76109"	165.771457333333	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M-3H"	-3.021828
"513846"	249.160824	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M-3H"	-3.021828
"892743"	82.3820906666667	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-3H"	-3.021828
"12047"	249.160824	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M-2H"	-2.014552
"451242"	374.244874	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M-2H"	-2.014552
"823211"	124.076774	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-2H"	-2.014552
"79032"	499.328924	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M-H"	-1.007276
"527150"	749.497024	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M-H"	-1.007276
"907137"	249.160824	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-H"	-1.007276
"57137"	516.355471	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M-2H+NH4"	16.019271
"498886"	766.523571	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M-2H+NH4"	16.019271
"876322"	266.187371	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-2H+NH4"	16.019271
"39484"	521.310866	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M-2H+Na"	20.974666
"477589"	771.478966	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M-2H+Na"	20.974666
"858670"	271.142766	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-2H+Na"	20.974666
"1626018"	271.142766	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Na-2H"	20.974666
"97443"	267.149163	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M-H+Cl"	33.962126
"538096"	392.233213	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M-H+Cl"	33.962126
"932341"	142.065113	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-H+Cl"	33.962126
"267980"	535.305602	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+Cl"	34.969402
"660396"	785.473702	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+Cl"	34.969402
"1276813"	285.137502	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Cl"	34.969402
"27031"	537.284806	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M-2H+K"	36.948606
"464403"	787.452906	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M-2H+K"	36.948606
"838931"	287.116706	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-2H+K"	36.948606
"1566793"	287.116706	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+K-2H"	36.948606
"950302"	295.166294	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-H+HCOOH"	44.998194
"367788"	545.334401	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+HCOOH-H"	44.998201
"350944"	559.350051	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+Hac-H"	59.013851
"1498316"	309.181951	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Hac-H"	59.013851
"962946"	317.148251	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-H+NaCOOH"	66.980151
"114040"	285.137502	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+2Cl"	69.938804
"555424"	410.221552	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+2Cl"	69.938804
"1026413"	160.053452	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2Cl"	69.938804
"1244533"	329.086985	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Br"	78.918885
"1310262"	331.142972	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Cl+HCOOH"	80.974872
"1331038"	353.124929	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Cl+NaCOOH"	102.956829
"925746"	363.153686	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M-H+CF3COOH"	112.985586
"1302815"	399.130364	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Cl+CF3COOH"	148.962264
"1379153"	215.155424	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H-2H2O"	-35.012676
"1393370"	233.1654	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H-H2O"	-17.0027
"290870"	501.343476	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+H"	1.007276
"684386"	751.511576	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+H"	1.007276
"1361830"	251.175376	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H"	1.007276
"138727"	251.175376	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+2H"	2.014552
"573187"	376.259426	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+2H"	2.014552
"1044175"	126.091326	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2H"	2.014552
"206241"	167.786009333333	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+3H"	3.021828
"649447"	251.175376	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+3H"	3.021828
"1167935"	84.3966426666667	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+3H"	3.021828
"427929"	518.370023	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+NH4"	18.033823
"789653"	768.538123	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+NH4"	18.033823
"1689265"	268.201923	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+NH4"	18.033823
"340824"	259.6886495	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+H+NH4"	19.041099
"736527"	384.7726995	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+H+NH4"	19.041099
"1490347"	134.6045995	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H+NH4"	19.041099
"404288"	523.325418	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+Na"	22.989218
"762366"	773.493518	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+Na"	22.989218
"1611558"	273.157318	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Na"	22.989218
"324510"	262.166347	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+H+Na"	23.996494
"718387"	387.250397	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+H+Na"	23.996494
"1473302"	137.082297	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H+Na"	23.996494
"1065091"	91.7239566666667	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2H+Na"	25.00377
"1271146"	283.201586	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+CH3OH+H"	33.033486
"384620"	539.299358	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+K"	38.963158
"743434"	789.467458	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+K"	38.963158
"1542201"	289.131258	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+K"	38.963158
"308127"	270.153317	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+H+K"	39.970434
"700549"	395.237367	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+H+K"	39.970434
"1453276"	145.069267	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H+K"	39.970434
"246251"	542.370026	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+ACN+H"	42.033826
"1217866"	292.201926	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+ACN+H"	42.033826
"1200659"	146.604601	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+ACN+2H"	43.041102
"194621"	545.30736	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+2Na-H"	44.97116
"633091"	795.47546	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+2Na-H"	44.97116
"1138785"	295.13926	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2Na-H"	44.97116
"174420"	273.157318	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+2Na"	45.978436
"626012"	398.241368	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+2Na"	45.978436
"1127332"	148.073268	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2Na"	45.978436
"1413045"	99.0512706666667	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H+2Na"	46.985712
"1436416"	297.180846	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H+HCOOH"	47.012746
"225019"	278.19034	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+3H2O+2H"	56.04448
"1515268"	311.23289	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+IsoProp+H"	61.06479
"414951"	281.144288	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+Na+K"	61.952376
"779226"	406.228338	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+Na+K"	61.952376
"1673370"	156.060238	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Na+K"	61.952376
"262074"	564.351968	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+ACN+Na"	64.015768
"1235878"	314.183868	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+ACN+Na"	64.015768
"1723677"	314.207393	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+NH4+HCOOH"	64.039293
"1189757"	106.378584666667	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+3Na"	68.967654
"1658920"	319.162788	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Na+HCOOH"	68.994688
"169065"	577.25524	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+2K-H"	76.91904
"606073"	827.42334	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+2K-H"	76.91904
"1093135"	327.08714	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2K-H"	76.91904
"148861"	289.131258	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"2M+2K"	77.926316
"589516"	414.215308	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"3M+2K"	77.926316
"1079132"	164.047208	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2K"	77.926316
"1112342"	329.101692	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2K+H"	78.933592
"1339246"	329.189307	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+DMSO+H"	79.021207
"1006924"	333.228476	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2ACN+H"	83.060376
"1526995"	334.222108	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+IsoProp+Na+H"	84.054008
"992353"	167.117876	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+2ACN+2H"	84.067652
"1589039"	335.136728	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+K+HCOOH"	84.968628
"1419077"	365.168238	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+H+CF3COOH"	115.000138
"1155929"	187.631151	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+3ACN+2H"	125.094202
"1704387"	382.194785	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+NH4+CF3COOH"	132.026685
"1643319"	387.15018	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+Na+CF3COOH"	136.98208
"1582251"	403.12412	"C11766"	"Rivastigmine"	"C14H22N2O2"	"250.1681"	"M+K+CF3COOH"	152.95602
"814805"	281.1562	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M"	0
"988341"	262.13781	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-H2O-H"	-19.01839
"74395"	186.430190666667	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M-3H"	-3.021828
"513956"	280.148924	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M-3H"	-3.021828
"893945"	92.7114573333333	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-3H"	-3.021828
"13979"	280.148924	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M-2H"	-2.014552
"454268"	420.727024	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M-2H"	-2.014552
"825508"	139.570824	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-2H"	-2.014552
"84410"	561.305124	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M-H"	-1.007276
"530540"	842.461324	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M-H"	-1.007276
"905060"	280.148924	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-H"	-1.007276
"58343"	578.331671	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M-2H+NH4"	16.019271
"497903"	859.487871	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M-2H+NH4"	16.019271
"872424"	297.175471	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-2H+NH4"	16.019271
"37043"	583.287066	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M-2H+Na"	20.974666
"478792"	864.443266	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M-2H+Na"	20.974666
"855501"	302.130866	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-2H+Na"	20.974666
"1625035"	302.130866	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Na-2H"	20.974666
"97189"	298.137263	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M-H+Cl"	33.962126
"537113"	438.715363	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M-H+Cl"	33.962126
"932451"	157.559163	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-H+Cl"	33.962126
"270638"	597.281802	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+Cl"	34.969402
"661600"	878.438002	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+Cl"	34.969402
"1276558"	316.125602	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Cl"	34.969402
"24953"	599.261006	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M-2H+K"	36.948606
"463420"	880.417206	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M-2H+K"	36.948606
"841228"	318.104806	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-2H+K"	36.948606
"1565809"	318.104806	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+K-2H"	36.948606
"946038"	326.154394	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-H+HCOOH"	44.998194
"370815"	607.310601	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+HCOOH-H"	44.998201
"349959"	621.326251	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+Hac-H"	59.013851
"1498427"	340.170051	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Hac-H"	59.013851
"960870"	348.136351	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-H+NaCOOH"	66.980151
"114515"	316.125602	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+2Cl"	69.938804
"552983"	456.703702	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+2Cl"	69.938804
"1022512"	175.547502	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2Cl"	69.938804
"1242455"	360.075085	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Br"	78.918885
"1309279"	362.131072	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Cl+HCOOH"	80.974872
"1327868"	384.113029	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Cl+NaCOOH"	102.956829
"925490"	394.141786	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M-H+CF3COOH"	112.985586
"1300009"	430.118464	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Cl+CF3COOH"	148.962264
"1379263"	246.143524	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H-2H2O"	-35.012676
"1393480"	264.1535	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H-H2O"	-17.0027
"296446"	563.319676	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+H"	1.007276
"683403"	844.475876	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+H"	1.007276
"1365220"	282.163476	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H"	1.007276
"138110"	282.163476	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+2H"	2.014552
"574392"	422.741576	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+2H"	2.014552
"1042097"	141.585376	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2H"	2.014552
"205259"	188.444742666667	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+3H"	3.021828
"649558"	282.163476	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+3H"	3.021828
"1175338"	94.7260093333334	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+3H"	3.021828
"430957"	580.346223	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+NH4"	18.033823
"791952"	861.502423	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+NH4"	18.033823
"1690468"	299.190023	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+NH4"	18.033823
"340932"	290.6767495	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+H+NH4"	19.041099
"736636"	431.2548495	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+H+NH4"	19.041099
"1489362"	150.0986495	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H+NH4"	19.041099
"402575"	585.301618	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+Na"	22.989218
"761382"	866.457818	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+Na"	22.989218
"1613854"	304.145418	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Na"	22.989218
"328751"	293.154447	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+H+Na"	23.996494
"718498"	433.732547	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+H+Na"	23.996494
"1471223"	152.576347	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H+Na"	23.996494
"1060096"	102.053323333333	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2H+Na"	25.00377
"1267242"	314.189686	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+CH3OH+H"	33.033486
"386915"	601.275558	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+K"	38.963158
"746819"	882.431758	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+K"	38.963158
"1544499"	320.119358	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+K"	38.963158
"308237"	301.141417	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+H+K"	39.970434
"702846"	441.719517	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+H+K"	39.970434
"1454480"	160.563317	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H+K"	39.970434
"248185"	604.346226	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+ACN+H"	42.033826
"1220164"	323.190026	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+ACN+H"	42.033826
"1201862"	162.098651	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+ACN+2H"	43.041102
"198012"	607.28356	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+2Na-H"	44.97116
"641586"	888.43976	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+2Na-H"	44.97116
"1144727"	326.12736	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2Na-H"	44.97116
"185100"	304.145418	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+2Na"	45.978436
"616278"	444.723518	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+2Na"	45.978436
"1126348"	163.567318	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2Na"	45.978436
"1409878"	109.380637333333	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H+2Na"	46.985712
"1439078"	328.168946	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H+HCOOH"	47.012746
"229504"	309.17844	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+3H2O+2H"	56.04448
"1515378"	342.22099	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+IsoProp+H"	61.06479
"415062"	312.132388	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+Na+K"	61.952376
"779337"	452.710488	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+Na+K"	61.952376
"1675667"	171.554288	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Na+K"	61.952376
"261822"	626.328168	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+ACN+Na"	64.015768
"1237083"	345.171968	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+ACN+Na"	64.015768
"1723424"	345.195493	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+NH4+HCOOH"	64.039293
"1188411"	116.707951333333	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+3Na"	68.967654
"1658668"	350.150888	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Na+HCOOH"	68.994688
"168448"	639.23144	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+2K-H"	76.91904
"606912"	920.38764	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+2K-H"	76.91904
"1093249"	358.07524	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2K-H"	76.91904
"147516"	320.119358	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"2M+2K"	77.926316
"591085"	460.697458	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"3M+2K"	77.926316
"1081795"	179.541258	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2K"	77.926316
"1114765"	360.089792	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2K+H"	78.933592
"1343367"	360.177407	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+DMSO+H"	79.021207
"1014447"	364.216576	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2ACN+H"	83.060376
"1527106"	365.210208	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+IsoProp+Na+H"	84.054008
"992463"	182.611926	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+2ACN+2H"	84.067652
"1588419"	366.124828	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+K+HCOOH"	84.968628
"1419187"	396.156338	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+H+CF3COOH"	115.000138
"1156039"	203.125201	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+3ACN+2H"	125.094202
"1704497"	413.182885	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+NH4+CF3COOH"	132.026685
"1642336"	418.13828	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+Na+CF3COOH"	136.98208
"1582361"	434.11222	"C11767"	"Xanomeline"	"C14H23N3OS"	"281.1562"	"M+K+CF3COOH"	152.95602
"814915"	183.0895	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M"	0
"988451"	164.07111	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H2O-H"	-19.01839
"66121"	121.052390666667	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-3H"	-3.021828
"509690"	182.082224	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-3H"	-3.021828
"887491"	60.0225573333333	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-3H"	-3.021828
"11534"	182.082224	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H"	-2.014552
"450000"	273.626974	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H"	-2.014552
"821245"	90.537474	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H"	-2.014552
"83426"	365.171724	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-H"	-1.007276
"531380"	548.261224	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-H"	-1.007276
"906265"	182.082224	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H"	-1.007276
"55173"	382.198271	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H+NH4"	16.019271
"492546"	565.287771	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H+NH4"	16.019271
"867796"	199.108771	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H+NH4"	16.019271
"35696"	387.153666	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H+Na"	20.974666
"477809"	570.243166	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H+Na"	20.974666
"855610"	204.064166	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H+Na"	20.974666
"1621133"	204.064166	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na-2H"	20.974666
"95711"	200.070563	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-H+Cl"	33.962126
"535760"	291.615313	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-H+Cl"	33.962126
"930003"	108.525813	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+Cl"	33.962126
"271110"	401.148402	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Cl"	34.969402
"662437"	584.237902	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+Cl"	34.969402
"1276300"	218.058902	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl"	34.969402
"27250"	403.127606	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H+K"	36.948606
"463530"	586.217106	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H+K"	36.948606
"842431"	220.038106	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H+K"	36.948606
"1561545"	220.038106	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K-2H"	36.948606
"951613"	228.087694	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+HCOOH"	44.998194
"364728"	411.177201	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+HCOOH-H"	44.998201
"351528"	425.192851	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Hac-H"	59.013851
"1496714"	242.103351	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Hac-H"	59.013851
"961344"	250.069651	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+NaCOOH"	66.980151
"111343"	218.058902	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2Cl"	69.938804
"550537"	309.603652	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2Cl"	69.938804
"1021364"	126.514152	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2Cl"	69.938804
"1241384"	262.008385	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Br"	78.918885
"1306471"	264.064372	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl+HCOOH"	80.974872
"1321414"	286.046329	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl+NaCOOH"	102.956829
"916849"	296.075086	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+CF3COOH"	112.985586
"1294651"	332.051764	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl+CF3COOH"	148.962264
"1379009"	148.076824	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H-2H2O"	-35.012676
"1391403"	166.0868	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H-H2O"	-17.0027
"292183"	367.186276	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H"	1.007276
"687885"	550.275776	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H"	1.007276
"1360956"	184.096776	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H"	1.007276
"135304"	184.096776	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2H"	2.014552
"572314"	275.641526	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2H"	2.014552
"1039654"	92.552026	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2H"	2.014552
"209014"	123.066942666667	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+3H"	3.021828
"645658"	184.096776	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+3H"	3.021828
"1163416"	62.0371093333333	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+3H"	3.021828
"428879"	384.212823	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+NH4"	18.033823
"790968"	567.302323	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+NH4"	18.033823
"1687297"	201.123323	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+NH4"	18.033823
"338853"	192.6100495	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H+NH4"	19.041099
"733463"	284.1547995	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H+NH4"	19.041099
"1487286"	101.0652995	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+NH4"	19.041099
"400496"	389.168218	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Na"	22.989218
"764771"	572.257718	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+Na"	22.989218
"1610682"	206.078718	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na"	22.989218
"328009"	195.087747	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H+Na"	23.996494
"714233"	286.632497	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H+Na"	23.996494
"1468053"	103.542997	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+Na"	23.996494
"1056923"	69.3644233333333	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2H+Na"	25.00377
"1260791"	216.122986	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+CH3OH+H"	33.033486
"384838"	405.142158	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+K"	38.963158
"746929"	588.231658	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+K"	38.963158
"1544609"	222.052658	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K"	38.963158
"309440"	203.074717	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H+K"	39.970434
"703687"	294.619467	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H+K"	39.970434
"1455321"	111.529967	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+K"	39.970434
"243193"	408.212826	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+ACN+H"	42.033826
"1220276"	225.123326	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+ACN+H"	42.033826
"1203066"	113.065301	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+ACN+2H"	43.041102
"195937"	411.15016	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2Na-H"	44.97116
"637686"	594.23966	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2Na-H"	44.97116
"1143014"	228.06066	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2Na-H"	44.97116
"188009"	206.078718	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2Na"	45.978436
"617481"	297.623468	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2Na"	45.978436
"1126458"	114.533968	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2Na"	45.978436
"1408166"	76.6917373333333	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+2Na"	46.985712
"1439919"	230.102246	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+HCOOH"	47.012746
"228156"	211.11174	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+3H2O+2H"	56.04448
"1515124"	244.15429	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+IsoProp+H"	61.06479
"415902"	214.065688	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Na+K"	61.952376
"779815"	305.610438	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+Na+K"	61.952376
"1673593"	122.520938	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na+K"	61.952376
"258289"	430.194768	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+ACN+Na"	64.015768
"1236104"	247.105268	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+ACN+Na"	64.015768
"1723173"	247.128793	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+NH4+HCOOH"	64.039293
"1189252"	84.0190513333333	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+3Na"	68.967654
"1659507"	252.084188	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na+HCOOH"	68.994688
"166736"	443.09804	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2K-H"	76.91904
"606658"	626.18754	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2K-H"	76.91904
"1093359"	260.00854	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2K-H"	76.91904
"151635"	222.052658	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2K"	77.926316
"591196"	313.597408	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2K"	77.926316
"1081176"	130.507908	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2K"	77.926316
"1113417"	262.023092	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2K+H"	78.933592
"1343840"	262.110707	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+DMSO+H"	79.021207
"1007997"	266.149876	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2ACN+H"	83.060376
"1527216"	267.143508	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+IsoProp+Na+H"	84.054008
"991600"	133.578576	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2ACN+2H"	84.067652
"1587556"	268.058128	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K+HCOOH"	84.968628
"1418204"	298.089638	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+CF3COOH"	115.000138
"1150681"	154.091851	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+3ACN+2H"	125.094202
"1699139"	315.116185	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+NH4+CF3COOH"	132.026685
"1641353"	320.07158	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na+CF3COOH"	136.98208
"1585751"	336.04552	"C11768"	"Levonordefrin;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K+CF3COOH"	152.95602
"809557"	288.1144	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M"	0
"988562"	269.09601	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-H2O-H"	-19.01839
"75708"	191.068990666667	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M-3H"	-3.021828
"509801"	287.107124	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M-3H"	-3.021828
"890882"	95.0308573333333	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-3H"	-3.021828
"14196"	287.107124	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M-2H"	-2.014552
"449017"	431.164324	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M-2H"	-2.014552
"821355"	143.049924	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-2H"	-2.014552
"83536"	575.221524	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M-H"	-1.007276
"532583"	863.335924	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M-H"	-1.007276
"909292"	287.107124	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-H"	-1.007276
"57470"	592.248071	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M-2H+NH4"	16.019271
"494843"	880.362471	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M-2H+NH4"	16.019271
"874831"	304.133671	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-2H+NH4"	16.019271
"39451"	597.203466	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M-2H+Na"	20.974666
"477919"	885.317866	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M-2H+Na"	20.974666
"854990"	309.089066	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-2H+Na"	20.974666
"1624889"	309.089066	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Na-2H"	20.974666
"96308"	305.095463	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M-H+Cl"	33.962126
"537326"	449.152663	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M-H+Cl"	33.962126
"930114"	161.038263	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-H+Cl"	33.962126
"270492"	611.198202	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+Cl"	34.969402
"664007"	899.312602	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+Cl"	34.969402
"1276778"	323.083802	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Cl"	34.969402
"24080"	613.177406	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M-2H+K"	36.948606
"462547"	901.291806	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M-2H+K"	36.948606
"841447"	325.063006	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-2H+K"	36.948606
"1559468"	325.063006	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+K-2H"	36.948606
"948444"	333.112594	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-H+HCOOH"	44.998194
"364474"	621.227001	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+HCOOH-H"	44.998201
"349451"	635.242651	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+Hac-H"	59.013851
"1495366"	347.128251	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Hac-H"	59.013851
"961819"	355.094551	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-H+NaCOOH"	66.980151
"112182"	323.083802	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+2Cl"	69.938804
"551379"	467.141002	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+2Cl"	69.938804
"1023093"	179.026602	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2Cl"	69.938804
"1241536"	367.033285	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Br"	78.918885
"1304471"	369.089272	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Cl+HCOOH"	80.974872
"1320553"	391.071229	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Cl+NaCOOH"	102.956829
"916960"	401.099986	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M-H+CF3COOH"	112.985586
"1294761"	437.076664	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Cl+CF3COOH"	148.962264
"1374016"	253.101724	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H-2H2O"	-35.012676
"1391512"	271.1117	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H-H2O"	-17.0027
"290106"	577.236076	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+H"	1.007276
"683620"	865.350476	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+H"	1.007276
"1364344"	289.121676	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H"	1.007276
"136867"	289.121676	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+2H"	2.014552
"571330"	433.178876	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+2H"	2.014552
"1043410"	145.064476	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2H"	2.014552
"207302"	193.083542666667	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+3H"	3.021828
"647588"	289.121676	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+3H"	3.021828
"1164255"	97.0454093333333	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+3H"	3.021828
"428989"	594.262623	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+NH4"	18.033823
"789981"	882.377023	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+NH4"	18.033823
"1687408"	306.148223	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+NH4"	18.033823
"334593"	297.6349495	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+H+NH4"	19.041099
"732113"	441.6921495	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+H+NH4"	19.041099
"1484112"	153.5777495	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H+NH4"	19.041099
"400605"	599.218018	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+Na"	22.989218
"761600"	887.332418	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+Na"	22.989218
"1610792"	311.103618	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Na"	22.989218
"321923"	300.112647	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+H+Na"	23.996494
"714344"	444.169847	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+H+Na"	23.996494
"1468162"	156.055447	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H+Na"	23.996494
"1055940"	104.372723333333	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2H+Na"	25.00377
"1264181"	321.147886	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+CH3OH+H"	33.033486
"388228"	615.191958	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+K"	38.963158
"750319"	903.306358	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+K"	38.963158
"1546906"	327.077558	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+K"	38.963158
"306269"	308.099617	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+H+K"	39.970434
"703065"	452.156817	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+H+K"	39.970434
"1459073"	164.042417	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H+K"	39.970434
"249499"	618.262626	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+ACN+H"	42.033826
"1222208"	330.148226	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+ACN+H"	42.033826
"1208401"	165.577751	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+ACN+2H"	43.041102
"202485"	621.19996	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+2Na-H"	44.97116
"638890"	909.31436	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+2Na-H"	44.97116
"1145676"	333.08556	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2Na-H"	44.97116
"187509"	311.103618	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+2Na"	45.978436
"618685"	455.160818	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+2Na"	45.978436
"1128754"	167.046418	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2Na"	45.978436
"1404629"	111.700037333333	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H+2Na"	46.985712
"1439664"	335.127146	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H+HCOOH"	47.012746
"226442"	316.13664	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+3H2O+2H"	56.04448
"1516327"	349.17919	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+IsoProp+H"	61.06479
"416376"	319.090588	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+Na+K"	61.952376
"779559"	463.147788	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+Na+K"	61.952376
"1675890"	175.033388	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Na+K"	61.952376
"259128"	640.244568	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+ACN+Na"	64.015768
"1235121"	352.130168	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+ACN+Na"	64.015768
"1723280"	352.153693	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+NH4+HCOOH"	64.039293
"1188634"	119.027351333333	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+3Na"	68.967654
"1657064"	357.109088	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Na+HCOOH"	68.994688
"166113"	653.14784	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+2K-H"	76.91904
"607497"	941.26224	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+2K-H"	76.91904
"1093469"	365.03344	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2K-H"	76.91904
"149559"	327.077558	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"2M+2K"	77.926316
"590941"	471.134758	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"3M+2K"	77.926316
"1079462"	183.020358	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2K"	77.926316
"1110485"	367.047992	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2K+H"	78.933592
"1346139"	367.135607	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+DMSO+H"	79.021207
"1012481"	371.174776	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2ACN+H"	83.060376
"1536075"	372.168408	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+IsoProp+Na+H"	84.054008
"990859"	186.091026	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+2ACN+2H"	84.067652
"1589005"	373.083028	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+K+HCOOH"	84.968628
"1418314"	403.114538	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+H+CF3COOH"	115.000138
"1152980"	206.604301	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+3ACN+2H"	125.094202
"1703624"	420.141085	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+NH4+CF3COOH"	132.026685
"1641463"	425.09648	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+Na+CF3COOH"	136.98208
"1582581"	441.07042	"C11769"	"R-Soterenol"	"C12H20N2O4S"	"288.1144"	"M+K+CF3COOH"	152.95602
"809667"	239.1521	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M"	0
"987579"	220.13371	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-H2O-H"	-19.01839
"74725"	158.427457333333	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M-3H"	-3.021828
"513191"	238.144824	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M-3H"	-3.021828
"893911"	78.7100906666667	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-3H"	-3.021828
"14913"	238.144824	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M-2H"	-2.014552
"452407"	357.720874	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M-2H"	-2.014552
"819642"	118.568774	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-2H"	-2.014552
"80365"	477.296924	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M-H"	-1.007276
"533057"	716.449024	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M-H"	-1.007276
"910129"	238.144824	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-H"	-1.007276
"59767"	494.323471	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M-2H+NH4"	16.019271
"499325"	733.475571	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M-2H+NH4"	16.019271
"874941"	255.171371	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-2H+NH4"	16.019271
"41747"	499.278866	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M-2H+Na"	20.974666
"476936"	738.430966	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M-2H+Na"	20.974666
"850362"	260.126766	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-2H+Na"	20.974666
"1620989"	260.126766	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Na-2H"	20.974666
"96051"	256.133163	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M-H+Cl"	33.962126
"535736"	375.709213	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M-H+Cl"	33.962126
"929495"	136.557113	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-H+Cl"	33.962126
"270966"	513.273602	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+Cl"	34.969402
"664118"	752.425702	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+Cl"	34.969402
"1276160"	274.121502	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Cl"	34.969402
"25283"	515.252806	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M-2H+K"	36.948606
"465939"	754.404906	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M-2H+K"	36.948606
"844837"	276.100706	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-2H+K"	36.948606
"1561765"	276.100706	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+K-2H"	36.948606
"951834"	284.150294	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-H+HCOOH"	44.998194
"364949"	523.302401	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+HCOOH-H"	44.998201
"348830"	537.318051	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+Hac-H"	59.013851
"1495476"	298.165951	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Hac-H"	59.013851
"963022"	306.132251	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-H+NaCOOH"	66.980151
"112657"	274.121502	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+2Cl"	69.938804
"552582"	393.697552	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+2Cl"	69.938804
"1022839"	154.545452	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2Cl"	69.938804
"1242052"	318.070985	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Br"	78.918885
"1304295"	320.126972	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Cl+HCOOH"	80.974872
"1321635"	342.108929	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Cl+NaCOOH"	102.956829
"915247"	352.137686	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M-H+CF3COOH"	112.985586
"1290132"	388.114364	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Cl+CF3COOH"	148.962264
"1374126"	204.139424	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H-2H2O"	-35.012676
"1385790"	222.1494	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H-H2O"	-17.0027
"289121"	479.311476	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+H"	1.007276
"680449"	718.463576	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+H"	1.007276
"1360078"	240.159376	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H"	1.007276
"130050"	240.159376	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+2H"	2.014552
"569981"	359.735426	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+2H"	2.014552
"1042791"	120.583326	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2H"	2.014552
"208504"	160.442009333333	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+3H"	3.021828
"648065"	240.159376	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+3H"	3.021828
"1164729"	80.7246426666667	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+3H"	3.021828
"426911"	496.338023	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+NH4"	18.033823
"787904"	735.490123	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+NH4"	18.033823
"1685695"	257.185923	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+NH4"	18.033823
"332879"	248.6726495	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+H+NH4"	19.041099
"728213"	368.2486995	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+H+NH4"	19.041099
"1483130"	129.0965995	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H+NH4"	19.041099
"396343"	501.293418	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+Na"	22.989218
"761713"	740.445518	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+Na"	22.989218
"1610903"	262.141318	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Na"	22.989218
"322033"	251.150347	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+H+Na"	23.996494
"713361"	370.726397	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+H+Na"	23.996494
"1466085"	131.574297	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H+Na"	23.996494
"1056051"	88.0519566666667	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2H+Na"	25.00377
"1264291"	272.185586	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+CH3OH+H"	33.033486
"391250"	517.267358	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+K"	38.963158
"753342"	756.419458	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+K"	38.963158
"1542282"	278.115258	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+K"	38.963158
"306379"	259.137317	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+H+K"	39.970434
"704270"	378.713367	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+H+K"	39.970434
"1456997"	139.561267	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H+K"	39.970434
"243412"	520.338026	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+ACN+H"	42.033826
"1217215"	281.185926	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+ACN+H"	42.033826
"1198912"	141.096601	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+ACN+2H"	43.041102
"199440"	523.27536	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+2Na-H"	44.97116
"636813"	762.42746	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+2Na-H"	44.97116
"1146394"	284.12326	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2Na-H"	44.97116
"182516"	262.141318	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+2Na"	45.978436
"617702"	381.717368	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+2Na"	45.978436
"1123398"	142.565268	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2Na"	45.978436
"1409112"	95.3792706666667	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H+2Na"	46.985712
"1437950"	286.164846	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H+HCOOH"	47.012746
"224366"	267.17434	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+3H2O+2H"	56.04448
"1517896"	300.21689	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+IsoProp+H"	61.06479
"414300"	270.128288	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+Na+K"	61.952376
"776389"	389.704338	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+Na+K"	61.952376
"1677093"	150.552238	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Na+K"	61.952376
"257052"	542.319968	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+ACN+Na"	64.015768
"1237053"	303.167868	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+ACN+Na"	64.015768
"1720839"	303.191393	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+NH4+HCOOH"	64.039293
"1189473"	102.706584666667	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+3Na"	68.967654
"1656083"	308.146788	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Na+HCOOH"	68.994688
"166225"	555.22324	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+2K-H"	76.91904
"606878"	794.37534	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+2K-H"	76.91904
"1093580"	316.07114	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2K-H"	76.91904
"152220"	278.115258	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"2M+2K"	77.926316
"592510"	397.691308	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"3M+2K"	77.926316
"1079936"	158.539208	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2K"	77.926316
"1107680"	318.085692	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2K+H"	78.933592
"1347344"	318.173307	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+DMSO+H"	79.021207
"1016965"	322.212476	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2ACN+H"	83.060376
"1537278"	323.206108	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+IsoProp+Na+H"	84.054008
"991333"	161.609876	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+2ACN+2H"	84.067652
"1587656"	324.120728	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+K+HCOOH"	84.968628
"1416238"	354.152238	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+H+CF3COOH"	115.000138
"1148716"	182.123151	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+3ACN+2H"	125.094202
"1701548"	371.178785	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+NH4+CF3COOH"	132.026685
"1641573"	376.13418	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+Na+CF3COOH"	136.98208
"1576130"	392.10812	"C11770"	"R-Salbutamol;(-)-Salbutamol;Levalbuterol"	"C13H21NO3"	"239.1521"	"M+K+CF3COOH"	152.95602
"809777"	331.1784	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M"	0
"988782"	312.16001	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-H2O-H"	-19.01839
"77513"	219.778324	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M-3H"	-3.021828
"517312"	330.171124	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M-3H"	-3.021828
"894753"	109.385524	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-3H"	-3.021828
"13690"	330.171124	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M-2H"	-2.014552
"454221"	495.760324	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M-2H"	-2.014552
"821574"	164.581924	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-2H"	-2.014552
"81933"	661.349524	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M-H"	-1.007276
"529888"	992.527924	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M-H"	-1.007276
"907688"	330.171124	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-H"	-1.007276
"58781"	678.376071	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M-2H+NH4"	16.019271
"498342"	1009.554471	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M-2H+NH4"	16.019271
"874687"	347.197671	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-2H+NH4"	16.019271
"40765"	683.331466	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M-2H+Na"	20.974666
"477045"	1014.509866	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M-2H+Na"	20.974666
"850836"	352.153066	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-2H+Na"	20.974666
"1622557"	352.153066	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Na-2H"	20.974666
"94753"	348.159463	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M-H+Cl"	33.962126
"536453"	513.748663	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M-H+Cl"	33.962126
"927458"	182.570263	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-H+Cl"	33.962126
"268283"	697.326202	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+Cl"	34.969402
"662773"	1028.504602	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+Cl"	34.969402
"1276272"	366.147802	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Cl"	34.969402
"22113"	699.305406	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M-2H+K"	36.948606
"464955"	1030.483806	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M-2H+K"	36.948606
"841666"	368.127006	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-2H+K"	36.948606
"1564061"	368.127006	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+K-2H"	36.948606
"950851"	376.176594	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-H+HCOOH"	44.998194
"369063"	707.355001	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+HCOOH-H"	44.998201
"347482"	721.370651	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+Hac-H"	59.013851
"1498502"	390.192251	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Hac-H"	59.013851
"962768"	398.158551	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-H+NaCOOH"	66.980151
"111308"	366.147802	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+2Cl"	69.938804
"554514"	531.737002	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+2Cl"	69.938804
"1023314"	200.558602	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2Cl"	69.938804
"1241508"	410.097285	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Br"	78.918885
"1306800"	412.153272	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Cl+HCOOH"	80.974872
"1320072"	434.135229	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Cl+NaCOOH"	102.956829
"913898"	444.163986	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M-H+CF3COOH"	112.985586
"1290242"	480.140664	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Cl+CF3COOH"	148.962264
"1374235"	296.165724	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H-2H2O"	-35.012676
"1385899"	314.1757	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H-H2O"	-17.0027
"286314"	663.364076	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+H"	1.007276
"679465"	994.542476	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+H"	1.007276
"1358001"	332.185676	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H"	1.007276
"130160"	332.185676	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+2H"	2.014552
"570821"	497.774876	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+2H"	2.014552
"1042536"	166.596476	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2H"	2.014552
"207157"	221.792876	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+3H"	3.021828
"647082"	332.185676	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+3H"	3.021828
"1164110"	111.400076	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+3H"	3.021828
"425927"	680.390623	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+NH4"	18.033823
"787284"	1011.569023	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+NH4"	18.033823
"1682888"	349.212223	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+NH4"	18.033823
"331895"	340.6989495	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+H+NH4"	19.041099
"729418"	506.2881495	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+H+NH4"	19.041099
"1483240"	175.1097495	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H+NH4"	19.041099
"396453"	685.346018	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+Na"	22.989218
"761823"	1016.524418	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+Na"	22.989218
"1612106"	354.167618	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Na"	22.989218
"322143"	343.176647	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+H+Na"	23.996494
"715658"	508.765847	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+H+Na"	23.996494
"1466195"	177.587447	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H+Na"	23.996494
"1056162"	118.72739	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2H+Na"	25.00377
"1263308"	364.211886	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+CH3OH+H"	33.033486
"390631"	701.319958	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+K"	38.963158
"750173"	1032.498358	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+K"	38.963158
"1543121"	370.141558	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+K"	38.963158
"306492"	351.163617	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+H+K"	39.970434
"704380"	516.752817	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+H+K"	39.970434
"1457106"	185.574417	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H+K"	39.970434
"243522"	704.390626	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+ACN+H"	42.033826
"1218419"	373.212226	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+ACN+H"	42.033826
"1201209"	187.109751	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+ACN+2H"	43.041102
"203193"	707.32796	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+2Na-H"	44.97116
"638016"	1038.50636	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+2Na-H"	44.97116
"1145411"	376.14956	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2Na-H"	44.97116
"182626"	354.167618	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+2Na"	45.978436
"618177"	519.756818	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+2Na"	45.978436
"1123508"	188.578418	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2Na"	45.978436
"1407036"	126.054704	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H+2Na"	46.985712
"1435874"	378.191146	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H+HCOOH"	47.012746
"226663"	359.20064	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+3H2O+2H"	56.04448
"1515818"	392.24319	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+IsoProp+H"	61.06479
"413317"	362.154588	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+Na+K"	61.952376
"776499"	527.743788	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+Na+K"	61.952376
"1673926"	196.565388	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Na+K"	61.952376
"261902"	726.372568	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+ACN+Na"	64.015768
"1235340"	395.194168	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+ACN+Na"	64.015768
"1718762"	395.217693	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+NH4+HCOOH"	64.039293
"1182656"	133.382018	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+3Na"	68.967654
"1656192"	400.173088	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Na+HCOOH"	68.994688
"164149"	739.27584	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+2K-H"	76.91904
"604801"	1070.45424	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+2K-H"	76.91904
"1092593"	408.09744	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2K-H"	76.91904
"151236"	370.141558	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"2M+2K"	77.926316
"590068"	535.730758	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"3M+2K"	77.926316
"1077861"	204.552358	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2K"	77.926316
"1104506"	410.111992	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2K+H"	78.933592
"1340891"	410.199607	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+DMSO+H"	79.021207
"1014889"	414.238776	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2ACN+H"	83.060376
"1534108"	415.232408	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+IsoProp+Na+H"	84.054008
"990226"	207.623026	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+2ACN+2H"	84.067652
"1587766"	416.147028	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+K+HCOOH"	84.968628
"1414890"	446.178538	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+H+CF3COOH"	115.000138
"1148826"	228.136301	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+3ACN+2H"	125.094202
"1701658"	463.205085	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+NH4+CF3COOH"	132.026685
"1641683"	468.16048	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+Na+CF3COOH"	136.98208
"1576240"	484.13442	"C11771"	"Salmefamol"	"C19H25NO4"	"331.1784"	"M+K+CF3COOH"	152.95602
"816333"	247.0531	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M"	0
"986704"	228.03471	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-H2O-H"	-19.01839
"77136"	163.694790666667	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M-3H"	-3.021828
"515600"	246.045824	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M-3H"	-3.021828
"894493"	81.3437573333333	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-3H"	-3.021828
"10882"	246.045824	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M-2H"	-2.014552
"448254"	369.572374	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M-2H"	-2.014552
"821690"	122.519274	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-2H"	-2.014552
"91530"	493.098924	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M-H"	-1.007276
"528904"	740.152024	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M-H"	-1.007276
"906705"	246.045824	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-H"	-1.007276
"58891"	510.125471	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M-2H+NH4"	16.019271
"495173"	757.178571	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M-2H+NH4"	16.019271
"871881"	263.072371	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-2H+NH4"	16.019271
"36137"	515.080866	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M-2H+Na"	20.974666
"475331"	762.133966	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M-2H+Na"	20.974666
"850945"	268.027766	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-2H+Na"	20.974666
"1620116"	268.027766	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Na-2H"	20.974666
"94937"	264.034163	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M-H+Cl"	33.962126
"536196"	387.560713	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M-H+Cl"	33.962126
"927891"	140.507613	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-H+Cl"	33.962126
"268633"	529.075602	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+Cl"	34.969402
"661788"	776.128702	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+Cl"	34.969402
"1281853"	282.022502	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Cl"	34.969402
"24414"	531.054806	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M-2H+K"	36.948606
"466161"	778.107906	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M-2H+K"	36.948606
"842870"	284.001706	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-2H+K"	36.948606
"1566359"	284.001706	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+K-2H"	36.948606
"949867"	292.051294	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-H+HCOOH"	44.998194
"365165"	539.104401	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+HCOOH-H"	44.998201
"349779"	553.120051	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+Hac-H"	59.013851
"1499709"	306.066951	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Hac-H"	59.013851
"961782"	314.033251	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-H+NaCOOH"	66.980151
"112147"	282.022502	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+2Cl"	69.938804
"553533"	405.549052	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+2Cl"	69.938804
"1025612"	158.495952	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2Cl"	69.938804
"1244098"	325.971985	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Br"	78.918885
"1305816"	328.027972	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Cl+HCOOH"	80.974872
"1320111"	350.009929	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Cl+NaCOOH"	102.956829
"912305"	360.038686	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M-H+CF3COOH"	112.985586
"1289093"	396.015364	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Cl+CF3COOH"	148.962264
"1374346"	212.040424	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H-2H2O"	-35.012676
"1392934"	230.0504	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H-H2O"	-17.0027
"288610"	495.113476	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+H"	1.007276
"678480"	742.166576	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+H"	1.007276
"1355923"	248.060376	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H"	1.007276
"129912"	248.060376	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+2H"	2.014552
"569474"	371.586926	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+2H"	2.014552
"1042646"	124.533826	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2H"	2.014552
"209454"	165.709342666667	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+3H"	3.021828
"646824"	248.060376	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+3H"	3.021828
"1165315"	83.3583093333333	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+3H"	3.021828
"427131"	512.140023	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+NH4"	18.033823
"788489"	759.193123	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+NH4"	18.033823
"1686643"	265.086923	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+NH4"	18.033823
"337105"	256.5736495	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+H+NH4"	19.041099
"732808"	380.1001995	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+H+NH4"	19.041099
"1484443"	133.0470995	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H+NH4"	19.041099
"402029"	517.095418	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+Na"	22.989218
"763024"	764.148518	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+Na"	22.989218
"1613311"	270.042318	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Na"	22.989218
"325533"	259.051347	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+H+Na"	23.996494
"719046"	382.577897	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+H+Na"	23.996494
"1469585"	135.524797	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H+Na"	23.996494
"1057365"	90.6856233333333	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2H+Na"	25.00377
"1262325"	280.086586	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+CH3OH+H"	33.033486
"380905"	533.069358	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+K"	38.963158
"747372"	780.122458	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+K"	38.963158
"1545053"	286.016258	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+K"	38.963158
"307695"	267.038317	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+H+K"	39.970434
"701210"	390.564867	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+H+K"	39.970434
"1450655"	143.511767	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H+K"	39.970434
"243632"	536.140026	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+ACN+H"	42.033826
"1215247"	289.086926	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+ACN+H"	42.033826
"1204599"	145.047101	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+ACN+2H"	43.041102
"201480"	539.07736	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+2Na-H"	44.97116
"633753"	786.13046	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+2Na-H"	44.97116
"1143091"	292.02426	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2Na-H"	44.97116
"179458"	270.042318	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+2Na"	45.978436
"623392"	393.568868	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+2Na"	45.978436
"1123621"	146.515768	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2Na"	45.978436
"1403866"	98.0129373333333	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H+2Na"	46.985712
"1439262"	294.065846	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H+HCOOH"	47.012746
"226773"	275.07534	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+3H2O+2H"	56.04448
"1518114"	308.11789	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+IsoProp+H"	61.06479
"416707"	278.029288	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+Na+K"	61.952376
"778797"	401.555838	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+Na+K"	61.952376
"1678407"	154.502738	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Na+K"	61.952376
"261647"	558.121968	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+ACN+Na"	64.015768
"1233263"	311.068868	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+ACN+Na"	64.015768
"1718870"	311.092393	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+NH4+HCOOH"	64.039293
"1183494"	105.340251333333	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+3Na"	68.967654
"1655209"	316.047788	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Na+HCOOH"	68.994688
"159882"	571.02524	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+2K-H"	76.91904
"603818"	818.07834	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+2K-H"	76.91904
"1090519"	323.97214	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2K-H"	76.91904
"147337"	286.016258	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"2M+2K"	77.926316
"589084"	409.542808	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"3M+2K"	77.926316
"1079064"	162.489708	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2K"	77.926316
"1104618"	325.986692	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2K+H"	78.933592
"1343187"	326.074307	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+DMSO+H"	79.021207
"1012812"	330.113476	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2ACN+H"	83.060376
"1535313"	331.107108	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+IsoProp+Na+H"	84.054008
"996292"	165.560376	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+2ACN+2H"	84.067652
"1588239"	332.021728	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+K+HCOOH"	84.968628
"1423023"	362.053238	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+H+CF3COOH"	115.000138
"1148936"	186.073651	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+3ACN+2H"	125.094202
"1701768"	379.079785	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+NH4+CF3COOH"	132.026685
"1638514"	384.03518	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+Na+CF3COOH"	136.98208
"1573071"	400.00912	"C11772"	"DCI;Dichloroisoproterenol"	"C11H15Cl2NO"	"247.0531"	"M+K+CF3COOH"	152.95602
"809997"	369.1689	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M"	0
"983532"	350.15051	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-H2O-H"	-19.01839
"73962"	245.105324	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M-3H"	-3.021828
"514617"	368.161624	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M-3H"	-3.021828
"892420"	122.049024	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-3H"	-3.021828
"10992"	368.161624	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M-2H"	-2.014552
"452738"	552.746074	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M-2H"	-2.014552
"821800"	183.577174	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-2H"	-2.014552
"92369"	737.330524	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M-H"	-1.007276
"530108"	1106.499424	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M-H"	-1.007276
"906815"	368.161624	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-H"	-1.007276
"57908"	754.357071	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M-2H+NH4"	16.019271
"498564"	1123.525971	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M-2H+NH4"	16.019271
"874178"	385.188171	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-2H+NH4"	16.019271
"38435"	759.312466	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M-2H+Na"	20.974666
"474349"	1128.481366	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M-2H+Na"	20.974666
"856162"	390.143566	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-2H+Na"	20.974666
"1621322"	390.143566	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Na-2H"	20.974666
"95652"	386.149963	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M-H+Cl"	33.962126
"535337"	570.734413	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M-H+Cl"	33.962126
"928369"	201.565513	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-H+Cl"	33.962126
"268748"	773.307202	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+Cl"	34.969402
"661051"	1142.476102	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+Cl"	34.969402
"1281963"	404.138302	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Cl"	34.969402
"27805"	775.286406	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M-2H+K"	36.948606
"467365"	1144.455306	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M-2H+K"	36.948606
"842982"	406.117506	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-2H+K"	36.948606
"1564282"	406.117506	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+K-2H"	36.948606
"948886"	414.167094	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-H+HCOOH"	44.998194
"363090"	783.336001	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+HCOOH-H"	44.998201
"348067"	797.351651	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+Hac-H"	59.013851
"1498725"	428.182751	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Hac-H"	59.013851
"961526"	436.149051	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-H+NaCOOH"	66.980151
"110433"	404.138302	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+2Cl"	69.938804
"556921"	588.722752	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+2Cl"	69.938804
"1023534"	219.553852	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2Cl"	69.938804
"1247489"	448.087785	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Br"	78.918885
"1308843"	450.143772	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Cl+HCOOH"	80.974872
"1324153"	472.125729	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Cl+NaCOOH"	102.956829
"912658"	482.154486	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M-H+CF3COOH"	112.985586
"1289730"	518.131164	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Cl+CF3COOH"	148.962264
"1371176"	334.156224	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H-2H2O"	-35.012676
"1390856"	352.1662	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H-H2O"	-17.0027
"288355"	739.345076	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+H"	1.007276
"685149"	1108.513976	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+H"	1.007276
"1353846"	370.176176	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H"	1.007276
"130022"	370.176176	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+2H"	2.014552
"573957"	554.760626	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+2H"	2.014552
"1043849"	185.591726	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2H"	2.014552
"209564"	247.119876	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+3H"	3.021828
"648030"	370.176176	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+3H"	3.021828
"1167245"	124.063576	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+3H"	3.021828
"428334"	756.371623	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+NH4"	18.033823
"789691"	1125.540523	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+NH4"	18.033823
"1693314"	387.202723	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+NH4"	18.033823
"339405"	378.6894495	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+H+NH4"	19.041099
"732919"	563.2738995	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+H+NH4"	19.041099
"1484552"	194.1049995	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H+NH4"	19.041099
"402139"	761.327018	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+Na"	22.989218
"766416"	1130.495918	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+Na"	22.989218
"1613421"	392.158118	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Na"	22.989218
"326738"	381.167147	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+H+Na"	23.996494
"718065"	565.751597	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+H+Na"	23.996494
"1471882"	196.582697	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H+Na"	23.996494
"1058568"	131.39089	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2H+Na"	25.00377
"1263528"	402.202386	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+CH3OH+H"	33.033486
"385389"	777.300958	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+K"	38.963158
"751857"	1146.469858	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+K"	38.963158
"1544070"	408.132058	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+K"	38.963158
"308899"	389.154117	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+H+K"	39.970434
"701318"	573.738567	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+H+K"	39.970434
"1451861"	204.569667	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H+K"	39.970434
"243743"	780.371626	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+ACN+H"	42.033826
"1216454"	411.202726	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+ACN+H"	42.033826
"1201431"	206.105001	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+ACN+2H"	43.041102
"198675"	783.30896	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+2Na-H"	44.97116
"638237"	1152.47786	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+2Na-H"	44.97116
"1140649"	414.14006	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2Na-H"	44.97116
"179568"	392.158118	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+2Na"	45.978436
"622409"	576.742568	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+2Na"	45.978436
"1127742"	207.573668	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2Na"	45.978436
"1407258"	138.718204	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H+2Na"	46.985712
"1442652"	416.181646	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H+HCOOH"	47.012746
"232714"	397.19114	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+3H2O+2H"	56.04448
"1520411"	430.23369	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+IsoProp+H"	61.06479
"421921"	400.145088	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+Na+K"	61.952376
"781822"	584.729538	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+Na+K"	61.952376
"1674143"	215.560638	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Na+K"	61.952376
"261393"	802.353568	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+ACN+Na"	64.015768
"1236290"	433.184668	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+ACN+Na"	64.015768
"1716796"	433.208193	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+NH4+HCOOH"	64.039293
"1178703"	146.045518	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+3Na"	68.967654
"1654229"	438.163588	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Na+HCOOH"	68.994688
"162181"	815.25684	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+2K-H"	76.91904
"601740"	1184.42574	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+2K-H"	76.91904
"1088440"	446.08794	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2K-H"	76.91904
"143070"	408.132058	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"2M+2K"	77.926316
"589192"	592.716508	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"3M+2K"	77.926316
"1074800"	223.547608	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2K"	77.926316
"1100141"	448.102492	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2K+H"	78.933592
"1345486"	448.190107	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+DMSO+H"	79.021207
"1012925"	452.229276	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2ACN+H"	83.060376
"1537490"	453.222908	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+IsoProp+Na+H"	84.054008
"997494"	226.618276	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+2ACN+2H"	84.067652
"1599653"	454.137528	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+K+HCOOH"	84.968628
"1429444"	484.169038	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+H+CF3COOH"	115.000138
"1148676"	247.131551	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+3ACN+2H"	125.094202
"1700785"	501.195585	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+NH4+CF3COOH"	132.026685
"1645185"	506.15098	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+Na+CF3COOH"	136.98208
"1573181"	522.12492	"C11773"	"Epanolol"	"C20H23N3O4"	"369.1689"	"M+K+CF3COOH"	152.95602
"810107"	333.1689	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M"	0
"989110"	314.15051	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-H2O-H"	-19.01839
"77353"	221.105324	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M-3H"	-3.021828
"513631"	332.161624	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M-3H"	-3.021828
"892532"	110.049024	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-3H"	-3.021828
"10011"	332.161624	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M-2H"	-2.014552
"450662"	498.746074	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M-2H"	-2.014552
"821910"	165.577174	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-2H"	-2.014552
"92722"	665.330524	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M-H"	-1.007276
"530217"	998.499424	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M-H"	-1.007276
"910085"	332.161624	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-H"	-1.007276
"58018"	682.357071	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M-2H+NH4"	16.019271
"497580"	1015.525971	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M-2H+NH4"	16.019271
"874288"	349.188171	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-2H+NH4"	16.019271
"34536"	687.312466	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M-2H+Na"	20.974666
"475187"	1020.481366	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M-2H+Na"	20.974666
"854085"	354.143566	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-2H+Na"	20.974666
"1622525"	354.143566	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Na-2H"	20.974666
"95155"	350.149963	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M-H+Cl"	33.962126
"537511"	516.734413	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M-H+Cl"	33.962126
"929937"	183.565513	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-H+Cl"	33.962126
"269222"	701.307202	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+Cl"	34.969402
"660795"	1034.476102	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+Cl"	34.969402
"1279886"	368.138302	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Cl"	34.969402
"28644"	703.286406	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M-2H+K"	36.948606
"468204"	1036.455306	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M-2H+K"	36.948606
"845279"	370.117506	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-2H+K"	36.948606
"1567672"	370.117506	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+K-2H"	36.948606
"950090"	378.167094	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-H+HCOOH"	44.998194
"369396"	711.336001	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+HCOOH-H"	44.998201
"351458"	725.351651	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+Hac-H"	59.013851
"1496647"	392.182751	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Hac-H"	59.013851
"963094"	400.149051	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-H+NaCOOH"	66.980151
"112002"	368.138302	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+2Cl"	69.938804
"555208"	534.722752	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+2Cl"	69.938804
"1025102"	201.553852	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2Cl"	69.938804
"1244316"	412.087785	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Br"	78.918885
"1308587"	414.143772	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Cl+HCOOH"	80.974872
"1323897"	436.125729	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Cl+NaCOOH"	102.956829
"912768"	446.154486	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M-H+CF3COOH"	112.985586
"1293486"	482.131164	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Cl+CF3COOH"	148.962264
"1370554"	298.156224	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H-2H2O"	-35.012676
"1387686"	316.1662	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H-H2O"	-17.0027
"287372"	667.345076	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+H"	1.007276
"681980"	1000.513976	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+H"	1.007276
"1352131"	334.176176	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H"	1.007276
"132319"	334.176176	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+2H"	2.014552
"574798"	500.760626	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+2H"	2.014552
"1045053"	167.591726	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2H"	2.014552
"211860"	223.119876	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+3H"	3.021828
"648504"	334.176176	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+3H"	3.021828
"1167722"	112.063576	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+3H"	3.021828
"429538"	684.371623	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+NH4"	18.033823
"791624"	1017.540523	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+NH4"	18.033823
"1691239"	351.202723	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+NH4"	18.033823
"341701"	342.6894495	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+H+NH4"	19.041099
"729749"	509.2738995	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+H+NH4"	19.041099
"1483569"	176.1049995	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H+NH4"	19.041099
"400063"	689.327018	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+Na"	22.989218
"765434"	1022.495918	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+Na"	22.989218
"1612438"	356.158118	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Na"	22.989218
"326484"	345.167147	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+H+Na"	23.996494
"717082"	511.751597	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+H+Na"	23.996494
"1467620"	178.582697	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H+Na"	23.996494
"1059772"	119.39089	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2H+Na"	25.00377
"1264731"	366.202386	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+CH3OH+H"	33.033486
"388051"	705.300958	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+K"	38.963158
"745405"	1038.469858	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+K"	38.963158
"1545272"	372.132058	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+K"	38.963158
"307913"	353.154117	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+H+K"	39.970434
"698148"	519.738567	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+H+K"	39.970434
"1451971"	186.569667	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H+K"	39.970434
"240572"	708.371626	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+ACN+H"	42.033826
"1215468"	375.202726	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+ACN+H"	42.033826
"1200448"	188.105001	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+ACN+2H"	43.041102
"195504"	711.30896	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+2Na-H"	44.97116
"639440"	1044.47786	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+2Na-H"	44.97116
"1138572"	378.14006	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2Na-H"	44.97116
"180771"	356.158118	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+2Na"	45.978436
"627262"	522.742568	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+2Na"	45.978436
"1128216"	189.573668	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2Na"	45.978436
"1410648"	126.718204	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H+2Na"	46.985712
"1439482"	380.181646	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H+HCOOH"	47.012746
"233067"	361.19114	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+3H2O+2H"	56.04448
"1521614"	394.23369	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+IsoProp+H"	61.06479
"422274"	364.145088	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+Na+K"	61.952376
"783027"	530.729538	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+Na+K"	61.952376
"1678628"	197.560638	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Na+K"	61.952376
"264419"	730.353568	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+ACN+Na"	64.015768
"1238586"	397.184668	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+ACN+Na"	64.015768
"1718000"	397.208193	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+NH4+HCOOH"	64.039293
"1184448"	134.045518	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+3Na"	68.967654
"1654339"	402.163588	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Na+HCOOH"	68.994688
"163384"	743.25684	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+2K-H"	76.91904
"601850"	1076.42574	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+2K-H"	76.91904
"1088551"	410.08794	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2K-H"	76.91904
"148647"	372.132058	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"2M+2K"	77.926316
"587118"	538.716508	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"3M+2K"	77.926316
"1076001"	205.547608	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2K"	77.926316
"1100092"	412.102492	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2K+H"	78.933592
"1342316"	412.190107	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+DMSO+H"	79.021207
"1011939"	416.229276	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2ACN+H"	83.060376
"1536628"	417.222908	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+IsoProp+Na+H"	84.054008
"997605"	208.618276	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+2ACN+2H"	84.067652
"1596486"	418.137528	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+K+HCOOH"	84.968628
"1426516"	448.169038	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+H+CF3COOH"	115.000138
"1149516"	229.131551	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+3ACN+2H"	125.094202
"1700895"	465.195585	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+NH4+CF3COOH"	132.026685
"1645295"	470.15098	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+Na+CF3COOH"	136.98208
"1576571"	486.12492	"C11774"	"Primidolol"	"C17H23N3O4"	"333.1689"	"M+K+CF3COOH"	152.95602
"813497"	339.1794	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M"	0
"989744"	320.16101	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-H2O-H"	-19.01839
"78152"	225.112324	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M-3H"	-3.021828
"515928"	338.172124	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M-3H"	-3.021828
"894828"	112.052524	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-3H"	-3.021828
"12306"	338.172124	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M-2H"	-2.014552
"454418"	507.761824	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M-2H"	-2.014552
"820927"	168.582424	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-2H"	-2.014552
"93522"	677.351524	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M-H"	-1.007276
"530322"	1016.530924	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M-H"	-1.007276
"909223"	338.172124	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-H"	-1.007276
"59221"	694.378071	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M-2H+NH4"	16.019271
"498783"	1033.557471	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M-2H+NH4"	16.019271
"876585"	355.198671	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-2H+NH4"	16.019271
"35131"	699.333466	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M-2H+Na"	20.974666
"477485"	1038.512866	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M-2H+Na"	20.974666
"855288"	360.154066	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-2H+Na"	20.974666
"1622635"	360.154066	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Na-2H"	20.974666
"96969"	356.160463	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M-H+Cl"	33.962126
"537623"	525.750163	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M-H+Cl"	33.962126
"928589"	186.570763	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-H+Cl"	33.962126
"270063"	713.328202	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+Cl"	34.969402
"662851"	1052.507602	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+Cl"	34.969402
"1281090"	374.148802	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Cl"	34.969402
"28753"	715.307406	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M-2H+K"	36.948606
"468313"	1054.486806	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M-2H+K"	36.948606
"846118"	376.128006	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-2H+K"	36.948606
"1566692"	376.128006	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+K-2H"	36.948606
"953478"	384.177594	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-H+HCOOH"	44.998194
"370599"	723.357001	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+HCOOH-H"	44.998201
"352661"	737.372651	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+Hac-H"	59.013851
"1501133"	398.193251	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Hac-H"	59.013851
"966485"	406.159551	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-H+NaCOOH"	66.980151
"115395"	374.148802	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+2Cl"	69.938804
"556048"	543.738502	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+2Cl"	69.938804
"1027399"	204.559102	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2Cl"	69.938804
"1248801"	418.098285	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Br"	78.918885
"1314530"	420.154272	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Cl+HCOOH"	80.974872
"1332026"	442.136229	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Cl+NaCOOH"	102.956829
"911785"	452.164986	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M-H+CF3COOH"	112.985586
"1291044"	488.141664	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Cl+CF3COOH"	148.962264
"1372851"	304.166724	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H-2H2O"	-35.012676
"1391076"	322.1767	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H-H2O"	-17.0027
"286023"	679.366076	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+H"	1.007276
"682089"	1018.545476	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+H"	1.007276
"1355886"	340.186676	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H"	1.007276
"129151"	340.186676	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+2H"	2.014552
"573086"	509.776376	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+2H"	2.014552
"1048445"	170.596976	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2H"	2.014552
"213065"	227.126876	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+3H"	3.021828
"654810"	340.186676	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+3H"	3.021828
"1169655"	114.067076	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+3H"	3.021828
"435114"	696.392623	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+NH4"	18.033823
"793921"	1035.572023	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+NH4"	18.033823
"1692443"	357.213223	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+NH4"	18.033823
"341813"	348.6999495	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+H+NH4"	19.041099
"733138"	518.2896495	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+H+NH4"	19.041099
"1488051"	179.1102495	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H+NH4"	19.041099
"403453"	701.348018	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+Na"	22.989218
"766638"	1040.527418	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+Na"	22.989218
"1615830"	362.168618	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Na"	22.989218
"326960"	351.177647	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+H+Na"	23.996494
"720473"	520.767347	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+H+Na"	23.996494
"1473926"	181.587947	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H+Na"	23.996494
"1063162"	121.39439	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2H+Na"	25.00377
"1265934"	372.212886	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+CH3OH+H"	33.033486
"389985"	717.321958	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+K"	38.963158
"747701"	1056.501358	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+K"	38.963158
"1550848"	378.142558	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+K"	38.963158
"309120"	359.164617	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+H+K"	39.970434
"704818"	528.754317	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+H+K"	39.970434
"1452080"	189.574917	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H+K"	39.970434
"238858"	720.392626	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+ACN+H"	42.033826
"1216672"	381.213226	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+ACN+H"	42.033826
"1201651"	191.110251	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+ACN+2H"	43.041102
"196708"	723.32996	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+2Na-H"	44.97116
"639550"	1062.50936	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+2Na-H"	44.97116
"1138682"	384.15056	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2Na-H"	44.97116
"179788"	362.168618	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+2Na"	45.978436
"627734"	531.758318	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+2Na"	45.978436
"1127233"	192.578918	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2Na"	45.978436
"1413554"	128.721704	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H+2Na"	46.985712
"1441779"	386.192146	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H+HCOOH"	47.012746
"234392"	367.20164	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+3H2O+2H"	56.04448
"1520632"	400.24419	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+IsoProp+H"	61.06479
"421413"	370.155588	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+Na+K"	61.952376
"782044"	539.745288	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+Na+K"	61.952376
"1678374"	200.565888	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Na+K"	61.952376
"266353"	742.374568	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+ACN+Na"	64.015768
"1236878"	403.195168	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+ACN+Na"	64.015768
"1721390"	403.218693	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+NH4+HCOOH"	64.039293
"1183465"	136.049018	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+3Na"	68.967654
"1655543"	408.174088	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Na+HCOOH"	68.994688
"167868"	755.27784	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+2K-H"	76.91904
"606334"	1094.45724	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+2K-H"	76.91904
"1091940"	416.09844	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2K-H"	76.91904
"148759"	378.142558	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"2M+2K"	77.926316
"590508"	547.732258	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"3M+2K"	77.926316
"1078299"	208.552858	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2K"	77.926316
"1106041"	418.112992	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2K+H"	78.933592
"1349839"	418.200607	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+DMSO+H"	79.021207
"1016425"	422.239776	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2ACN+H"	83.060376
"1538927"	423.233408	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+IsoProp+Na+H"	84.054008
"998808"	211.623526	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+2ACN+2H"	84.067652
"1597688"	424.148028	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+K+HCOOH"	84.968628
"1427719"	454.179538	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+H+CF3COOH"	115.000138
"1150355"	232.136801	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+3ACN+2H"	125.094202
"1702098"	471.206085	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+NH4+CF3COOH"	132.026685
"1642125"	476.16148	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+Na+CF3COOH"	136.98208
"1576681"	492.13542	"C11775"	"Xamoterol"	"C16H25N3O5"	"339.1794"	"M+K+CF3COOH"	152.95602
"807047"	151.0997	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M"	0
"986785"	132.08131	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"77454"	99.7258573333333	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"517135"	150.092424	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"894573"	49.3592906666667	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"11325"	150.092424	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"453072"	225.642274	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"821037"	74.542574	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"93061"	301.192124	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"529339"	452.291824	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"908235"	150.092424	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"61276"	318.218671	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"497800"	469.318371	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"875602"	167.118971	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"44231"	323.174066	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"482699"	474.273766	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"858677"	172.074366	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1624931"	172.074366	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"97450"	168.080763	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"537009"	243.630613	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"931619"	92.530913	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"270174"	337.168802	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"661867"	488.268502	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1275002"	186.069102	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"25944"	339.148006	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"463319"	490.247706	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"841123"	188.048306	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1563515"	188.048306	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"948484"	196.097894	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"363783"	347.197601	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"346936"	361.213251	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1501243"	210.113551	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"964044"	218.079851	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"114776"	186.069102	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"555429"	261.618952	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1027145"	110.519252	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1249275"	230.018585	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1312453"	232.074572	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1328856"	254.056529	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"912380"	264.085286	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1291154"	300.061964	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1372961"	116.087024	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1388271"	134.097	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"286133"	303.206676	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"682199"	454.306376	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1355269"	152.106976	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"131447"	152.106976	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"571010"	227.656826	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1045276"	76.557126	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"210990"	101.740409333333	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"651641"	152.106976	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1168304"	51.3738426666667	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"429757"	320.233223	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"792939"	471.332923	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1693643"	169.133523	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"340828"	160.6202495	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"734341"	236.1700995	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1487067"	85.0703995	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"401377"	325.188618	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"763469"	476.288318	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1611567"	174.088918	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"322698"	163.097947	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"715117"	238.647797	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1471125"	87.548097	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1063273"	58.7011566666667	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1263858"	184.133186	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"387541"	341.162558	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"739426"	492.262258	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1550958"	190.062858	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"308135"	171.084917	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"699461"	246.634767	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1452190"	95.535067	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"240063"	344.233226	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1216782"	193.133526	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1201761"	97.070401	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"194631"	347.17056	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"633100"	498.27026	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1140979"	196.07086	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"187879"	174.088918	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"627119"	249.638768	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1129165"	98.539068	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1411594"	66.0284706666667	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1441887"	198.112446	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"232678"	179.12194	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1518557"	212.16449	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"419335"	182.075888	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"782518"	257.625738	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1677755"	106.526038	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"265370"	366.215168	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1240267"	215.115468	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1721503"	215.138993	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1183575"	73.3557846666667	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1655653"	220.094388	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"164699"	379.11844	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"605353"	530.21814	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1093147"	228.01874	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"152149"	190.062858	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"590615"	265.612708	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1078409"	114.513008	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1110525"	230.033292	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1345816"	230.120907	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1017262"	234.160076	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1538795"	235.153708	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"997826"	117.583676	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1599984"	236.068328	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1425642"	266.099838	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1149736"	138.096951	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1704395"	283.126385	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1642234"	288.08178	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1576791"	304.05572	"C11776"	"alpha-Methyl-m-tyramine;Gepefrine"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"807157"	179.1059	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M"	0
"987622"	160.08751	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-H2O-H"	-19.01839
"77319"	118.396657333333	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M-3H"	-3.021828
"513961"	178.098624	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M-3H"	-3.021828
"893589"	58.6946906666667	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-3H"	-3.021828
"11436"	178.098624	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M-2H"	-2.014552
"453182"	267.651574	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M-2H"	-2.014552
"818956"	88.545674	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-2H"	-2.014552
"81139"	357.204524	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M-H"	-1.007276
"528356"	536.310424	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M-H"	-1.007276
"909438"	178.098624	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-H"	-1.007276
"60535"	374.231071	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M-2H+NH4"	16.019271
"500950"	553.336971	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M-2H+NH4"	16.019271
"878507"	195.125171	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-2H+NH4"	16.019271
"43613"	379.186466	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M-2H+Na"	20.974666
"484265"	558.292366	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M-2H+Na"	20.974666
"855507"	200.080566	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-2H+Na"	20.974666
"1622854"	200.080566	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Na-2H"	20.974666
"99384"	196.086963	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M-H+Cl"	33.962126
"540037"	285.639913	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M-H+Cl"	33.962126
"929177"	106.534013	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-H+Cl"	33.962126
"268099"	393.181202	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+Cl"	34.969402
"662345"	572.287102	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+Cl"	34.969402
"1274748"	214.075302	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Cl"	34.969402
"24961"	395.160406	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M-2H+K"	36.948606
"464523"	574.266306	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M-2H+K"	36.948606
"842327"	216.054506	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-2H+K"	36.948606
"1561439"	216.054506	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+K-2H"	36.948606
"948230"	224.104094	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-H+HCOOH"	44.998194
"361452"	403.210001	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+HCOOH-H"	44.998201
"349601"	417.225651	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+Hac-H"	59.013851
"1500260"	238.119751	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Hac-H"	59.013851
"964153"	246.086051	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-H+NaCOOH"	66.980151
"116709"	214.075302	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+2Cl"	69.938804
"556270"	303.628252	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+2Cl"	69.938804
"1029442"	124.522352	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2Cl"	69.938804
"1249023"	258.024785	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Br"	78.918885
"1312563"	260.080772	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Cl+HCOOH"	80.974872
"1325321"	282.062729	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Cl+NaCOOH"	102.956829
"918201"	292.091486	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M-H+CF3COOH"	112.985586
"1295639"	328.068164	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Cl+CF3COOH"	148.962264
"1372707"	144.093224	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H-2H2O"	-35.012676
"1386194"	162.1032	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H-H2O"	-17.0027
"288795"	359.219076	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+H"	1.007276
"679757"	538.324976	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+H"	1.007276
"1353920"	180.113176	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H"	1.007276
"132653"	180.113176	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+2H"	2.014552
"573304"	269.666126	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+2H"	2.014552
"1048299"	90.560226	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2H"	2.014552
"213285"	120.411209333333	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+3H"	3.021828
"653937"	180.113176	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+3H"	3.021828
"1169874"	60.7092426666667	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+3H"	3.021828
"427681"	376.245623	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+NH4"	18.033823
"796330"	555.351523	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+NH4"	18.033823
"1693389"	197.139723	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+NH4"	18.033823
"336564"	188.6264495	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+H+NH4"	19.041099
"733358"	278.1793995	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+H+NH4"	19.041099
"1487179"	99.0734995	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H+NH4"	19.041099
"400394"	381.201018	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+Na"	22.989218
"762486"	560.306918	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+Na"	22.989218
"1611676"	202.095118	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Na"	22.989218
"323900"	191.104147	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+H+Na"	23.996494
"716320"	280.657097	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+H+Na"	23.996494
"1473419"	101.551197	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H+Na"	23.996494
"1065567"	68.0365566666667	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2H+Na"	25.00377
"1265061"	212.139386	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+CH3OH+H"	33.033486
"389109"	397.174958	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+K"	38.963158
"741723"	576.280858	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+K"	38.963158
"1552161"	218.069058	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+K"	38.963158
"310434"	199.091117	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+H+K"	39.970434
"700664"	288.644067	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+H+K"	39.970434
"1451207"	109.538167	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H+K"	39.970434
"239078"	400.245626	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+ACN+H"	42.033826
"1215798"	221.139726	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+ACN+H"	42.033826
"1200778"	111.073501	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+ACN+2H"	43.041102
"194741"	403.18296	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+2Na-H"	44.97116
"633210"	582.28886	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+2Na-H"	44.97116
"1141089"	224.07706	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2Na-H"	44.97116
"187666"	202.095118	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+2Na"	45.978436
"625769"	291.648068	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+2Na"	45.978436
"1129276"	112.542168	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2Na"	45.978436
"1411705"	75.3638706666667	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H+2Na"	46.985712
"1442363"	226.118646	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H+HCOOH"	47.012746
"233882"	207.12814	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+3H2O+2H"	56.04448
"1520853"	240.17069	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+IsoProp+H"	61.06479
"418353"	210.082088	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+Na+K"	61.952376
"782628"	299.635038	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+Na+K"	61.952376
"1675311"	120.529138	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Na+K"	61.952376
"265480"	422.227568	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+ACN+Na"	64.015768
"1240377"	243.121668	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+ACN+Na"	64.015768
"1728091"	243.145193	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+NH4+HCOOH"	64.039293
"1186966"	82.6911846666667	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+3Na"	68.967654
"1655766"	248.100588	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Na+HCOOH"	68.994688
"165905"	435.13084	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+2K-H"	76.91904
"605464"	614.23674	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+2K-H"	76.91904
"1087424"	256.02494	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2K-H"	76.91904
"146063"	218.069058	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"2M+2K"	77.926316
"588538"	307.622008	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"3M+2K"	77.926316
"1080708"	128.516108	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2K"	77.926316
"1102250"	258.039492	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2K+H"	78.933592
"1345926"	258.127107	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+DMSO+H"	79.021207
"1017737"	262.166276	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2ACN+H"	83.060376
"1539026"	263.159908	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+IsoProp+Na+H"	84.054008
"997936"	131.586776	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+2ACN+2H"	84.067652
"1601797"	264.074528	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+K+HCOOH"	84.968628
"1425752"	294.106038	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+H+CF3COOH"	115.000138
"1150576"	152.100051	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+3ACN+2H"	125.094202
"1700130"	311.132585	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+NH4+CF3COOH"	132.026685
"1642344"	316.08798	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+Na+CF3COOH"	136.98208
"1576901"	332.06192	"C11777"	"Iproniazid"	"C9H13N3O"	"179.1059"	"M+K+CF3COOH"	152.95602
"807267"	327.1471	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M"	0
"987005"	308.12871	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"75605"	217.090790666667	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"510791"	326.139824	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"893336"	108.041757333333	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"10453"	326.139824	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"451835"	489.713374	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"819431"	162.566274	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"83436"	653.286924	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"524090"	980.434024	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"909064"	326.139824	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"61133"	670.313471	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"498022"	997.460571	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"877646"	343.166371	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"43722"	675.268866	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"484373"	1002.415966	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"855617"	348.121766	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1624055"	348.121766	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"99494"	344.128163	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"541240"	507.701713	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"929287"	180.554613	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"271125"	689.263602	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"662455"	1016.410702	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1273030"	362.116502	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"26164"	691.242806	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"462446"	1018.389906	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"842437"	364.095706	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1559727"	364.095706	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"946152"	372.145294	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"363274"	699.292401	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"349346"	713.308051	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1499276"	386.160951	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"963899"	394.127251	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"116819"	362.116502	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"556744"	525.690052	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1026636"	198.542952	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1250227"	406.065985	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1310121"	408.121972	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1323608"	430.103929	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"915394"	440.132686	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1292468"	476.109364	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1371724"	292.134424	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1384481"	310.1444	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"286353"	655.301476	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"676587"	982.448576	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1353665"	328.154376	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"133857"	328.154376	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"574508"	491.727926	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1047317"	164.580826	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"215582"	219.105342666667	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"657328"	328.154376	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1169984"	110.056309333333	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"435445"	672.328023	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"797536"	999.475123	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1696295"	345.180923	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"343965"	336.6676495	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"733469"	500.2411995	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1486197"	173.0940995	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"403784"	677.283418	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"763689"	1004.430518	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1614338"	350.136318	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"326925"	339.145347	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"717525"	502.718897	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1473896"	175.571797	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1065678"	117.383623333333	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1268451"	360.180586	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"388854"	693.257358	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"743655"	1020.404458	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1551907"	366.110258	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"310545"	347.132317	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"704421"	510.705867	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1452410"	183.558767	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"238824"	696.328026	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1215542"	369.180926	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1200156"	185.094101	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"198131"	699.26536	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"636600"	1026.41246	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1141199"	372.11826	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"186320"	350.136318	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"626245"	513.709868	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1128294"	186.562768	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1412181"	124.710937333333	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1445026"	374.159846	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"233628"	355.16934	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1519870"	388.21189	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"420650"	358.123288	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"780186"	521.696838	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1676882"	194.549738	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"265590"	718.309968	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1240245"	391.162868	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1726093"	391.186393	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1185983"	132.038251333333	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1654418"	396.141788	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"162737"	731.21324	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"606668"	1058.36034	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1086076"	404.06614	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"146172"	366.110258	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"583181"	529.683808	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1079724"	202.536708	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1102360"	406.080692	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1346039"	406.168307	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1017846"	410.207476	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1538651"	411.201108	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"996952"	205.607376	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1599110"	412.115728	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1426956"	442.147238	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1151780"	226.120651	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1702427"	459.173785	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1645734"	464.12918	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1577011"	480.10312	"C11778"	"3-Acetylmorphine;O(3)-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"810657"	299.1521	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M"	0
"988573"	280.13371	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-H2O-H"	-19.01839
"76808"	198.427457333333	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M-3H"	-3.021828
"514181"	298.144824	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M-3H"	-3.021828
"895230"	98.7100906666667	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-3H"	-3.021828
"14209"	298.144824	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M-2H"	-2.014552
"454496"	447.720874	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M-2H"	-2.014552
"819178"	148.568774	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-2H"	-2.014552
"81721"	597.296924	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M-H"	-1.007276
"527482"	896.449024	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M-H"	-1.007276
"899812"	298.144824	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-H"	-1.007276
"58565"	614.323471	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M-2H+NH4"	16.019271
"499711"	913.475571	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M-2H+NH4"	16.019271
"878123"	315.171371	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-2H+NH4"	16.019271
"46143"	619.278866	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M-2H+Na"	20.974666
"486308"	918.430966	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M-2H+Na"	20.974666
"860102"	320.126766	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-2H+Na"	20.974666
"1628539"	320.126766	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Na-2H"	20.974666
"102884"	316.133163	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M-H+Cl"	33.962126
"540257"	465.709213	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M-H+Cl"	33.962126
"935959"	166.557113	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-H+Cl"	33.962126
"277795"	633.273602	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+Cl"	34.969402
"668033"	932.425702	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+Cl"	34.969402
"1276063"	334.121502	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Cl"	34.969402
"26274"	635.252806	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M-2H+K"	36.948606
"466931"	934.404906	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M-2H+K"	36.948606
"841822"	336.100706	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-2H+K"	36.948606
"1563847"	336.100706	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+K-2H"	36.948606
"951731"	344.150294	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-H+HCOOH"	44.998194
"368854"	643.302401	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+HCOOH-H"	44.998201
"349457"	657.318051	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+Hac-H"	59.013851
"1499020"	358.165951	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Hac-H"	59.013851
"963281"	366.132251	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-H+NaCOOH"	66.980151
"113648"	334.121502	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+2Cl"	69.938804
"558677"	483.697552	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+2Cl"	69.938804
"1030027"	184.545452	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2Cl"	69.938804
"1251429"	378.070985	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Br"	78.918885
"1316064"	380.126972	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Cl+HCOOH"	80.974872
"1329188"	402.108929	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Cl+NaCOOH"	102.956829
"918056"	412.137686	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M-H+CF3COOH"	112.985586
"1296953"	448.114364	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Cl+CF3COOH"	148.962264
"1374021"	264.139424	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H-2H2O"	-35.012676
"1391517"	282.1494	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H-H2O"	-17.0027
"292300"	599.311476	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+H"	1.007276
"685813"	898.463576	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+H"	1.007276
"1358881"	300.159376	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H"	1.007276
"130679"	300.159376	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+2H"	2.014552
"573522"	449.735426	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+2H"	2.014552
"1042323"	150.583326	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2H"	2.014552
"212411"	200.442009333333	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+3H"	3.021828
"656344"	300.159376	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+3H"	3.021828
"1170096"	100.724642666667	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+3H"	3.021828
"438835"	616.338023	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+NH4"	18.033823
"797647"	915.490123	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+NH4"	18.033823
"1695799"	317.185923	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+NH4"	18.033823
"345170"	308.6726495	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+H+NH4"	19.041099
"733579"	458.2486995	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+H+NH4"	19.041099
"1492140"	159.0965995	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H+NH4"	19.041099
"406083"	621.293418	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+Na"	22.989218
"767446"	920.445518	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+Na"	22.989218
"1615907"	322.141318	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Na"	22.989218
"327400"	311.150347	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+H+Na"	23.996494
"719823"	460.726397	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+H+Na"	23.996494
"1473644"	161.574297	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H+Na"	23.996494
"1067613"	108.051956666667	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2H+Na"	25.00377
"1268561"	332.185586	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+CH3OH+H"	33.033486
"388234"	637.267358	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+K"	38.963158
"751420"	936.419458	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+K"	38.963158
"1553840"	338.115258	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+K"	38.963158
"309561"	319.137317	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+H+K"	39.970434
"706354"	468.713367	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+H+K"	39.970434
"1452883"	169.561267	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H+K"	39.970434
"242579"	640.338026	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+ACN+H"	42.033826
"1216382"	341.185926	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+ACN+H"	42.033826
"1200265"	171.096601	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+ACN+2H"	43.041102
"196056"	643.27536	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+2Na-H"	44.97116
"637803"	942.42746	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+2Na-H"	44.97116
"1140216"	344.12326	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2Na-H"	44.97116
"184970"	322.141318	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+2Na"	45.978436
"626354"	471.717368	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+2Na"	45.978436
"1128403"	172.565268	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2Na"	45.978436
"1408645"	115.379270666667	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H+2Na"	46.985712
"1441490"	346.164846	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H+HCOOH"	47.012746
"234102"	327.17434	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+3H2O+2H"	56.04448
"1519613"	360.21689	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+IsoProp+H"	61.06479
"417479"	330.128288	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+Na+K"	61.952376
"777016"	479.704338	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+Na+K"	61.952376
"1676992"	180.552238	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Na+K"	61.952376
"261326"	662.319968	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+ACN+Na"	64.015768
"1235131"	363.167868	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+ACN+Na"	64.015768
"1721831"	363.191393	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+NH4+HCOOH"	64.039293
"1186091"	122.706584666667	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+3Na"	68.967654
"1653430"	368.146788	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Na+HCOOH"	68.994688
"161384"	675.22324	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+2K-H"	76.91904
"604594"	974.37534	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+2K-H"	76.91904
"1092386"	376.07114	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2K-H"	76.91904
"155522"	338.115258	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"2M+2K"	77.926316
"595813"	487.691308	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"3M+2K"	77.926316
"1076552"	188.539208	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2K"	77.926316
"1105388"	378.085692	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2K+H"	78.933592
"1345055"	378.173307	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+DMSO+H"	79.021207
"1017959"	382.212476	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2ACN+H"	83.060376
"1539123"	383.206108	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+IsoProp+Na+H"	84.054008
"999249"	191.609876	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+2ACN+2H"	84.067652
"1598126"	384.120728	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+K+HCOOH"	84.968628
"1424879"	414.152238	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+H+CF3COOH"	115.000138
"1149704"	212.123151	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+3ACN+2H"	125.094202
"1702537"	431.178785	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+NH4+CF3COOH"	132.026685
"1645844"	436.13418	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+Na+CF3COOH"	136.98208
"1577121"	452.10812	"C11779"	"Heterocodeine"	"C18H21NO3"	"299.1521"	"M+K+CF3COOH"	152.95602
"807487"	313.1678	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M"	0
"986490"	294.14941	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H2O-H"	-19.01839
"69264"	207.771257333333	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-3H"	-3.021828
"513198"	312.160524	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-3H"	-3.021828
"895336"	103.381990666667	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-3H"	-3.021828
"14316"	312.160524	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H"	-2.014552
"450230"	468.744424	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H"	-2.014552
"820381"	155.576624	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H"	-2.014552
"80375"	625.328324	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-H"	-1.007276
"524310"	938.496124	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-H"	-1.007276
"898830"	312.160524	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H"	-1.007276
"58675"	642.354871	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H+NH4"	16.019271
"502135"	955.522671	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H+NH4"	16.019271
"878842"	329.187071	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H+NH4"	16.019271
"46664"	647.310266	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H+Na"	20.974666
"486747"	960.478066	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H+Na"	20.974666
"863491"	334.142466	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H+Na"	20.974666
"1629742"	334.142466	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na-2H"	20.974666
"108462"	330.148863	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-H+Cl"	33.962126
"548751"	486.732763	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-H+Cl"	33.962126
"937163"	173.564963	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+Cl"	33.962126
"277905"	661.305002	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Cl"	34.969402
"672154"	974.472802	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+Cl"	34.969402
"1276173"	348.137202	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl"	34.969402
"25291"	663.284206	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M-2H+K"	36.948606
"465948"	976.452006	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M-2H+K"	36.948606
"842660"	350.116406	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-2H+K"	36.948606
"1567239"	350.116406	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K-2H"	36.948606
"952935"	358.165994	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+HCOOH"	44.998194
"368963"	671.333801	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+HCOOH-H"	44.998201
"355034"	685.349451	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Hac-H"	59.013851
"1499130"	372.181651	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Hac-H"	59.013851
"964484"	380.147951	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+NaCOOH"	66.980151
"111934"	348.137202	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2Cl"	69.938804
"556963"	504.721102	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2Cl"	69.938804
"1027585"	191.553302	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2Cl"	69.938804
"1248261"	392.086685	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Br"	78.918885
"1310708"	394.142672	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl+HCOOH"	80.974872
"1327111"	416.124629	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl+NaCOOH"	102.956829
"918166"	426.153386	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M-H+CF3COOH"	112.985586
"1297063"	462.130064	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Cl+CF3COOH"	148.962264
"1376317"	278.155124	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H-2H2O"	-35.012676
"1392720"	296.1651	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H-H2O"	-17.0027
"290220"	627.342876	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H"	1.007276
"683736"	940.510676	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H"	1.007276
"1356804"	314.175076	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H"	1.007276
"129330"	314.175076	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2H"	2.014552
"570352"	470.758976	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2H"	2.014552
"1038787"	157.591176	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2H"	2.014552
"208147"	209.785809333333	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+3H"	3.021828
"653173"	314.175076	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+3H"	3.021828
"1172391"	105.396542666667	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+3H"	3.021828
"436757"	644.369423	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+NH4"	18.033823
"799212"	957.537223	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+NH4"	18.033823
"1693721"	331.201623	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+NH4"	18.033823
"343820"	322.6883495	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H+NH4"	19.041099
"731506"	479.2722495	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H+NH4"	19.041099
"1488605"	166.1044495	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+NH4"	19.041099
"402913"	649.324818	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Na"	22.989218
"763910"	962.492618	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+Na"	22.989218
"1616015"	336.157018	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na"	22.989218
"326416"	325.166047	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H+Na"	23.996494
"721753"	481.749947	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H+Na"	23.996494
"1473754"	168.582147	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+Na"	23.996494
"1067723"	112.723856666667	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2H+Na"	25.00377
"1268671"	346.201286	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+CH3OH+H"	33.033486
"388344"	665.298758	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+K"	38.963158
"751530"	978.466558	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+K"	38.963158
"1552128"	352.130958	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K"	38.963158
"306390"	333.153017	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+H+K"	39.970434
"699903"	489.736917	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+H+K"	39.970434
"1452630"	176.569117	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+K"	39.970434
"240136"	668.369426	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+ACN+H"	42.033826
"1217224"	355.201626	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+ACN+H"	42.033826
"1199646"	178.104451	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+ACN+2H"	43.041102
"197259"	671.30676	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2Na-H"	44.97116
"637913"	984.47456	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2Na-H"	44.97116
"1141419"	358.13896	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2Na-H"	44.97116
"185808"	336.157018	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2Na"	45.978436
"625733"	492.740918	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2Na"	45.978436
"1127054"	179.573118	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2Na"	45.978436
"1406931"	120.051170666667	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+2Na"	46.985712
"1437953"	360.180546	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+HCOOH"	47.012746
"232389"	341.19004	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+3H2O+2H"	56.04448
"1518993"	374.23259	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+IsoProp+H"	61.06479
"419411"	344.143988	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+Na+K"	61.952376
"779677"	500.727888	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+Na+K"	61.952376
"1674915"	187.560088	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na+K"	61.952376
"260342"	690.351368	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+ACN+Na"	64.015768
"1233782"	377.183568	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+ACN+Na"	64.015768
"1720848"	377.207093	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+NH4+HCOOH"	64.039293
"1186202"	127.378484666667	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+3Na"	68.967654
"1652083"	382.162488	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na+HCOOH"	68.994688
"157399"	703.25464	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2K-H"	76.91904
"600329"	1016.42244	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2K-H"	76.91904
"1089216"	390.08684	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2K-H"	76.91904
"148219"	352.130958	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"2M+2K"	77.926316
"586686"	508.714858	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"3M+2K"	77.926316
"1069490"	195.547058	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2K"	77.926316
"1102581"	392.101392	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2K+H"	78.933592
"1342978"	392.189007	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+DMSO+H"	79.021207
"1010047"	396.228176	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2ACN+H"	83.060376
"1534005"	397.221808	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+IsoProp+Na+H"	84.054008
"996079"	198.617726	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+2ACN+2H"	84.067652
"1596050"	398.136428	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K+HCOOH"	84.968628
"1419523"	428.167938	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+H+CF3COOH"	115.000138
"1149810"	219.131001	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+3ACN+2H"	125.094202
"1697185"	445.194485	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+NH4+CF3COOH"	132.026685
"1639394"	450.14988	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+Na+CF3COOH"	136.98208
"1575044"	466.12382	"C11780"	"6-Ethylmorphine"	"C19H23NO3"	"313.1678"	"M+K+CF3COOH"	152.95602
"813066"	327.1471	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M"	0
"983319"	308.12871	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"69374"	217.090790666667	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"510027"	326.139824	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"887830"	108.041757333333	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"14790"	326.139824	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"450340"	489.713374	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"817575"	162.566274	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"80485"	653.286924	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"524420"	980.434024	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"896753"	326.139824	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"58785"	670.313471	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"501634"	997.460571	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"879070"	343.166371	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"46242"	675.268866	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"486774"	1002.415966	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"859226"	348.121766	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1629852"	348.121766	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"107479"	344.128163	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"548861"	507.701713	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"937273"	180.554613	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"278015"	689.263602	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"671171"	1016.410702	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1275190"	362.116502	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"25401"	691.242806	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"466058"	1018.389906	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"843863"	364.095706	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1566255"	364.095706	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"954138"	372.145294	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"370166"	699.292401	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"356237"	713.308051	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1499240"	386.160951	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"966416"	394.127251	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"115326"	362.116502	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"554886"	525.690052	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1025508"	198.542952	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1248370"	406.065985	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1309726"	408.121972	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1324669"	430.103929	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"919372"	440.132686	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1294987"	476.109364	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1376428"	292.134424	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1388457"	310.1444	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"290331"	655.301476	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"682753"	982.448576	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1359101"	328.154376	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"130169"	328.154376	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"570462"	491.727926	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1042543"	164.580826	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"212631"	219.105342666667	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"656563"	328.154376	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1174688"	110.056309333333	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"436506"	672.328023	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"795678"	999.475123	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1690916"	345.180923	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"341381"	336.6676495	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"734896"	500.2411995	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1488716"	173.0940995	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"403025"	677.283418	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"765114"	1004.430518	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1613212"	350.136318	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"328231"	339.145347	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"721863"	502.718897	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1473862"	175.571797	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1064918"	117.383623333333	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1266231"	360.180586	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"392547"	693.257358	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"751640"	1020.404458	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1552967"	366.110258	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"308323"	347.132317	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"700015"	510.705867	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1456020"	183.558767	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"241340"	696.328026	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1218428"	369.180926	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1201215"	185.094101	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"197371"	699.26536	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"634744"	1026.41246	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1140438"	372.11826	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"185921"	350.136318	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"624751"	513.709868	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1123518"	186.562768	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1404854"	124.710937333333	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1438063"	374.159846	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"232499"	355.16934	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1521291"	388.21189	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"417698"	358.123288	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"777601"	521.696838	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1676120"	194.549738	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"258266"	718.309968	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1234256"	391.162868	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1720958"	391.186393	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1185218"	132.038251333333	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1653651"	396.141788	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"157835"	731.21324	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"601531"	1058.36034	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1088961"	404.06614	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"144316"	366.110258	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"584970"	529.683808	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1069602"	202.536708	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1104877"	406.080692	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1343085"	406.168307	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1007606"	410.207476	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1526459"	411.201108	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"997283"	205.607376	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1593974"	412.115728	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1417448"	442.147238	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1148099"	226.120651	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1703850"	459.173785	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1638406"	464.12918	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1573330"	480.10312	"C11781"	"6-Acetylmorphine;6-O-Monoacetylmorphine"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"814269"	287.1521	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M"	0
"988897"	268.13371	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-H2O-H"	-19.01839
"77917"	190.427457333333	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M-3H"	-3.021828
"518037"	286.144824	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M-3H"	-3.021828
"893778"	94.7100906666667	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-3H"	-3.021828
"13081"	286.144824	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M-2H"	-2.014552
"452643"	429.720874	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M-2H"	-2.014552
"819506"	142.568774	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-2H"	-2.014552
"79863"	573.296924	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M-H"	-1.007276
"520147"	860.449024	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M-H"	-1.007276
"897587"	286.144824	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-H"	-1.007276
"47707"	590.323471	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M-2H+NH4"	16.019271
"496269"	877.475571	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M-2H+NH4"	16.019271
"876258"	303.171371	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-2H+NH4"	16.019271
"37597"	595.278866	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M-2H+Na"	20.974666
"480438"	882.430966	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M-2H+Na"	20.974666
"859334"	308.126766	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-2H+Na"	20.974666
"1624493"	308.126766	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Na-2H"	20.974666
"108435"	304.133163	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M-H+Cl"	33.962126
"543863"	447.709213	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M-H+Cl"	33.962126
"940663"	160.557113	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-H+Cl"	33.962126
"274845"	609.273602	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+Cl"	34.969402
"673104"	896.425702	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+Cl"	34.969402
"1284048"	322.121502	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Cl"	34.969402
"25511"	611.252806	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M-2H+K"	36.948606
"467264"	898.404906	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M-2H+K"	36.948606
"845066"	324.100706	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-2H+K"	36.948606
"1566365"	324.100706	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+K-2H"	36.948606
"953155"	332.150294	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-H+HCOOH"	44.998194
"370275"	619.302401	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+HCOOH-H"	44.998201
"357441"	633.318051	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+Hac-H"	59.013851
"1499715"	346.165951	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Hac-H"	59.013851
"966162"	354.132251	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-H+NaCOOH"	66.980151
"115072"	322.121502	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+2Cl"	69.938804
"556454"	465.697552	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+2Cl"	69.938804
"1027442"	178.545452	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2Cl"	69.938804
"1249574"	366.070985	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Br"	78.918885
"1313116"	368.126972	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Cl+HCOOH"	80.974872
"1326238"	390.108929	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Cl+NaCOOH"	102.956829
"922762"	400.137686	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M-H+CF3COOH"	112.985586
"1295097"	436.114364	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Cl+CF3COOH"	148.962264
"1376538"	252.139424	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H-2H2O"	-35.012676
"1391848"	270.1494	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H-H2O"	-17.0027
"294452"	575.311476	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+H"	1.007276
"686510"	862.463576	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+H"	1.007276
"1355933"	288.159376	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H"	1.007276
"132102"	288.159376	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+2H"	2.014552
"570572"	431.735426	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+2H"	2.014552
"1042654"	144.583326	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2H"	2.014552
"212743"	192.442009333333	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+3H"	3.021828
"653395"	288.159376	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+3H"	3.021828
"1172615"	96.7246426666667	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+3H"	3.021828
"431515"	592.338023	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+NH4"	18.033823
"789228"	879.490123	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+NH4"	18.033823
"1685559"	305.185923	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+NH4"	18.033823
"337118"	296.6726495	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+H+NH4"	19.041099
"731725"	440.2486995	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+H+NH4"	19.041099
"1484453"	153.0965995	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H+NH4"	19.041099
"398761"	597.293418	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+Na"	22.989218
"759756"	884.445518	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+Na"	22.989218
"1612225"	310.141318	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Na"	22.989218
"321172"	299.150347	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+H+Na"	23.996494
"716867"	442.726397	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+H+Na"	23.996494
"1473972"	155.574297	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H+Na"	23.996494
"1061744"	104.051956666667	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2H+Na"	25.00377
"1259050"	320.185586	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+CH3OH+H"	33.033486
"383094"	613.267358	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+K"	38.963158
"748470"	900.419458	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+K"	38.963158
"1551255"	326.115258	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+K"	38.963158
"308069"	307.137317	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+H+K"	39.970434
"702311"	450.713367	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+H+K"	39.970434
"1453943"	163.561267	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H+K"	39.970434
"237442"	616.338026	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+ACN+H"	42.033826
"1217444"	329.185926	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+ACN+H"	42.033826
"1198045"	165.096601	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+ACN+2H"	43.041102
"195294"	619.27536	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+2Na-H"	44.97116
"634854"	906.42746	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+2Na-H"	44.97116
"1140548"	332.12326	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2Na-H"	44.97116
"186032"	310.141318	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+2Na"	45.978436
"626319"	453.717368	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+2Na"	45.978436
"1127639"	166.565268	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2Na"	45.978436
"1407880"	111.379270666667	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H+2Na"	46.985712
"1440361"	334.164846	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H+HCOOH"	47.012746
"228600"	315.17434	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+3H2O+2H"	56.04448
"1519213"	348.21689	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+IsoProp+H"	61.06479
"415623"	318.128288	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+Na+K"	61.952376
"776617"	461.704338	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+Na+K"	61.952376
"1675137"	174.552238	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Na+K"	61.952376
"260564"	638.319968	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+ACN+Na"	64.015768
"1235825"	351.167868	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+ACN+Na"	64.015768
"1722161"	351.191393	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+NH4+HCOOH"	64.039293
"1187517"	118.706584666667	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+3Na"	68.967654
"1653399"	356.146788	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Na+HCOOH"	68.994688
"157544"	651.22324	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+2K-H"	76.91904
"604922"	938.37534	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+2K-H"	76.91904
"1089436"	364.07114	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2K-H"	76.91904
"144426"	326.115258	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"2M+2K"	77.926316
"583620"	469.691308	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"3M+2K"	77.926316
"1070321"	182.539208	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2K"	77.926316
"1104624"	366.085692	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2K+H"	78.933592
"1342102"	366.173307	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+DMSO+H"	79.021207
"1011726"	370.212476	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2ACN+H"	83.060376
"1526570"	371.206108	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+IsoProp+Na+H"	84.054008
"993383"	185.609876	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+2ACN+2H"	84.067652
"1594084"	372.120728	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+K+HCOOH"	84.968628
"1415372"	402.152238	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+H+CF3COOH"	115.000138
"1148939"	206.123151	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+3ACN+2H"	125.094202
"1703960"	419.178785	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+NH4+CF3COOH"	132.026685
"1638517"	424.13418	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+Na+CF3COOH"	136.98208
"1573076"	440.10812	"C11782"	"Dihydromorphine"	"C17H21NO3"	"287.1521"	"M+K+CF3COOH"	152.95602
"814379"	354.1943	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M"	0
"987914"	335.17591	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-H2O-H"	-19.01839
"76155"	235.122257333333	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M-3H"	-3.021828
"514623"	353.187024	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M-3H"	-3.021828
"895545"	117.057490666667	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-3H"	-3.021828
"15254"	353.187024	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M-2H"	-2.014552
"454334"	530.284174	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M-2H"	-2.014552
"820708"	176.089874	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-2H"	-2.014552
"80702"	707.381324	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M-H"	-1.007276
"520257"	1061.575624	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M-H"	-1.007276
"897335"	353.187024	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-H"	-1.007276
"48790"	724.407871	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M-2H+NH4"	16.019271
"496379"	1078.602171	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M-2H+NH4"	16.019271
"868713"	370.213571	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-2H+NH4"	16.019271
"36614"	729.363266	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M-2H+Na"	20.974666
"476174"	1083.557566	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M-2H+Na"	20.974666
"859444"	375.168966	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-2H+Na"	20.974666
"1627883"	375.168966	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Na-2H"	20.974666
"102224"	371.175363	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M-H+Cl"	33.962126
"541784"	548.272513	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M-H+Cl"	33.962126
"941021"	194.078213	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-H+Cl"	33.962126
"280178"	743.358002	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+Cl"	34.969402
"672851"	1097.552302	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+Cl"	34.969402
"1284158"	389.163702	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Cl"	34.969402
"26714"	745.337206	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M-2H+K"	36.948606
"467011"	1099.531506	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M-2H+K"	36.948606
"844084"	391.142906	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-2H+K"	36.948606
"1566475"	391.142906	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+K-2H"	36.948606
"953266"	399.192494	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-H+HCOOH"	44.998194
"369292"	753.386801	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+HCOOH-H"	44.998201
"357552"	767.402451	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+Hac-H"	59.013851
"1499826"	413.208151	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Hac-H"	59.013851
"968460"	421.174451	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-H+NaCOOH"	66.980151
"114454"	389.163702	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+2Cl"	69.938804
"555472"	566.260852	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+2Cl"	69.938804
"1027552"	212.066552	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2Cl"	69.938804
"1248590"	433.113185	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Br"	78.918885
"1315413"	435.169172	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Cl+HCOOH"	80.974872
"1328536"	457.151129	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Cl+NaCOOH"	102.956829
"918862"	467.179886	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M-H+CF3COOH"	112.985586
"1298487"	503.156564	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Cl+CF3COOH"	148.962264
"1377742"	319.181624	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H-2H2O"	-35.012676
"1390864"	337.1916	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H-H2O"	-17.0027
"292739"	709.395876	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+H"	1.007276
"684066"	1063.590176	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+H"	1.007276
"1359323"	355.201576	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H"	1.007276
"132212"	355.201576	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+2H"	2.014552
"572869"	532.298726	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+2H"	2.014552
"1042764"	178.104426	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2H"	2.014552
"212853"	237.136809333333	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+3H"	3.021828
"654234"	355.201576	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+3H"	3.021828
"1171634"	119.072042666667	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+3H"	3.021828
"433813"	726.422423	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+NH4"	18.033823
"790432"	1080.616723	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+NH4"	18.033823
"1686762"	372.228123	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+NH4"	18.033823
"338320"	363.7148495	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+H+NH4"	19.041099
"732928"	540.8119995	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+H+NH4"	19.041099
"1482377"	186.6176995	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H+NH4"	19.041099
"398872"	731.377818	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+Na"	22.989218
"759866"	1085.572118	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+Na"	22.989218
"1609057"	377.183518	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Na"	22.989218
"323468"	366.192547	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+H+Na"	23.996494
"718071"	543.289697	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+H+Na"	23.996494
"1474446"	189.095397	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H+Na"	23.996494
"1062949"	126.399356666667	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2H+Na"	25.00377
"1259522"	387.227786	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+CH3OH+H"	33.033486
"377613"	747.351758	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+K"	38.963158
"751131"	1101.546058	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+K"	38.963158
"1549541"	393.157458	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+K"	38.963158
"305624"	374.179517	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+H+K"	39.970434
"700962"	551.276667	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+H+K"	39.970434
"1451865"	197.082367	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H+K"	39.970434
"244841"	750.422426	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+ACN+H"	42.033826
"1212448"	396.228126	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+ACN+H"	42.033826
"1194872"	198.617701	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+ACN+2H"	43.041102
"190659"	753.35976	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+2Na-H"	44.97116
"633870"	1107.55406	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+2Na-H"	44.97116
"1135190"	399.16546	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2Na-H"	44.97116
"185290"	377.183518	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+2Na"	45.978436
"624607"	554.280668	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+2Na"	45.978436
"1126656"	200.086368	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2Na"	45.978436
"1406897"	133.726670666667	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H+2Na"	46.985712
"1437190"	401.207046	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H+HCOOH"	47.012746
"231992"	382.21654	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+3H2O+2H"	56.04448
"1520784"	415.25909	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+H"	61.06479
"416825"	385.170488	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+Na+K"	61.952376
"777822"	562.267638	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+Na+K"	61.952376
"1676340"	208.073338	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Na+K"	61.952376
"262860"	772.404368	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+ACN+Na"	64.015768
"1237028"	418.210068	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+ACN+Na"	64.015768
"1722271"	418.233593	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+NH4+HCOOH"	64.039293
"1185440"	141.053984666667	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+3Na"	68.967654
"1651319"	423.188988	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Na+HCOOH"	68.994688
"159278"	785.30764	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+2K-H"	76.91904
"606126"	1139.50194	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+2K-H"	76.91904
"1089545"	431.11334	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2K-H"	76.91904
"147453"	393.157458	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"2M+2K"	77.926316
"582759"	570.254608	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"3M+2K"	77.926316
"1071525"	216.060308	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2K"	77.926316
"1101453"	433.127892	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2K+H"	78.933592
"1338204"	433.215507	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+DMSO+H"	79.021207
"1008920"	437.254676	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2ACN+H"	83.060376
"1526316"	438.248308	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+IsoProp+Na+H"	84.054008
"992402"	219.130976	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+2ACN+2H"	84.067652
"1590914"	439.162928	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+K+HCOOH"	84.968628
"1415482"	469.194438	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+H+CF3COOH"	115.000138
"1149049"	239.644251	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+3ACN+2H"	125.094202
"1704070"	486.220985	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+NH4+CF3COOH"	132.026685
"1638627"	491.17638	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+Na+CF3COOH"	136.98208
"1572821"	507.15032	"C11783"	"Minovincinine"	"C21H26N2O3"	"354.1943"	"M+K+CF3COOH"	152.95602
"816862"	396.2049	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M"	0
"989895"	377.18651	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-H2O-H"	-19.01839
"78507"	263.129324	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M-3H"	-3.021828
"518183"	395.197624	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M-3H"	-3.021828
"894727"	131.061024	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-3H"	-3.021828
"15599"	395.197624	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M-2H"	-2.014552
"455529"	593.300074	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M-2H"	-2.014552
"820820"	197.095174	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-2H"	-2.014552
"82634"	791.402524	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M-H"	-1.007276
"522563"	1187.607424	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M-H"	-1.007276
"899270"	395.197624	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-H"	-1.007276
"51460"	808.429071	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M-2H+NH4"	16.019271
"500869"	1204.633971	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M-2H+NH4"	16.019271
"875385"	412.224171	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-2H+NH4"	16.019271
"46081"	813.384466	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M-2H+Na"	20.974666
"484668"	1209.589366	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M-2H+Na"	20.974666
"858461"	417.179566	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-2H+Na"	20.974666
"1630180"	417.179566	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Na-2H"	20.974666
"104522"	413.185963	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M-H+Cl"	33.962126
"540803"	611.288413	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M-H+Cl"	33.962126
"941498"	215.083513	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-H+Cl"	33.962126
"281990"	827.379202	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+Cl"	34.969402
"672223"	1223.584102	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+Cl"	34.969402
"1282082"	431.174302	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Cl"	34.969402
"25739"	829.358406	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M-2H+K"	36.948606
"468579"	1225.563306	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M-2H+K"	36.948606
"840913"	433.153506	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-2H+K"	36.948606
"1564401"	433.153506	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+K-2H"	36.948606
"955200"	441.203094	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-H+HCOOH"	44.998194
"370498"	837.408001	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+HCOOH-H"	44.998201
"355477"	851.423651	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+Hac-H"	59.013851
"1501033"	455.218751	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Hac-H"	59.013851
"968209"	463.185051	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-H+NaCOOH"	66.980151
"114931"	431.174302	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+2Cl"	69.938804
"554125"	629.276752	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+2Cl"	69.938804
"1030215"	233.071852	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2Cl"	69.938804
"1247971"	475.123785	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Br"	78.918885
"1311150"	477.179772	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Cl+HCOOH"	80.974872
"1327551"	499.161729	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Cl+NaCOOH"	102.956829
"919702"	509.190486	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M-H+CF3COOH"	112.985586
"1295317"	545.167164	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Cl+CF3COOH"	148.962264
"1370927"	361.192224	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H-2H2O"	-35.012676
"1393162"	379.2022	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H-H2O"	-17.0027
"288475"	793.417076	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+H"	1.007276
"680897"	1189.621976	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+H"	1.007276
"1361621"	397.212176	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H"	1.007276
"134148"	397.212176	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+2H"	2.014552
"571888"	595.314626	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+2H"	2.014552
"1046156"	199.109726	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2H"	2.014552
"214057"	265.143876	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+3H"	3.021828
"656898"	397.212176	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+3H"	3.021828
"1174660"	133.075576	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+3H"	3.021828
"436109"	810.443623	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+NH4"	18.033823
"794918"	1206.648523	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+NH4"	18.033823
"1691247"	414.238723	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+NH4"	18.033823
"334057"	405.7254495	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+H+NH4"	19.041099
"733041"	603.8278995	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+H+NH4"	19.041099
"1486861"	207.6229995	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H+NH4"	19.041099
"402261"	815.399018	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+Na"	22.989218
"762163"	1211.603918	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+Na"	22.989218
"1615727"	419.194118	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Na"	22.989218
"324667"	408.203147	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+H+Na"	23.996494
"714902"	606.305597	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+H+Na"	23.996494
"1470907"	210.100697	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H+Na"	23.996494
"1061965"	140.40289	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2H+Na"	25.00377
"1259997"	429.238386	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+CH3OH+H"	33.033486
"378450"	831.372958	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+K"	38.963158
"746504"	1227.577858	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+K"	38.963158
"1550744"	435.168058	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+K"	38.963158
"310839"	416.190117	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+H+K"	39.970434
"701437"	614.292567	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+H+K"	39.970434
"1453069"	218.087667	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H+K"	39.970434
"237297"	834.443626	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+ACN+H"	42.033826
"1217664"	438.238726	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+ACN+H"	42.033826
"1201547"	219.623001	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+ACN+2H"	43.041102
"200981"	837.38096	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+2Na-H"	44.97116
"633979"	1233.58586	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+2Na-H"	44.97116
"1135297"	441.17606	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2Na-H"	44.97116
"184058"	419.194118	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+2Na"	45.978436
"625808"	617.296568	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+2Na"	45.978436
"1122754"	221.091668	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2Na"	45.978436
"1402999"	147.730204	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H+2Na"	46.985712
"1439489"	443.217646	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H+HCOOH"	47.012746
"229184"	424.22714	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+3H2O+2H"	56.04448
"1518340"	457.26969	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+IsoProp+H"	61.06479
"419123"	427.181088	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+Na+K"	61.952376
"781946"	625.283538	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+Na+K"	61.952376
"1675358"	229.078638	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Na+K"	61.952376
"261877"	856.425568	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+ACN+Na"	64.015768
"1237504"	460.220668	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+ACN+Na"	64.015768
"1723475"	460.244193	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+NH4+HCOOH"	64.039293
"1187739"	155.057518	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+3Na"	68.967654
"1659817"	465.199588	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Na+HCOOH"	68.994688
"161211"	869.32884	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+2K-H"	76.91904
"601864"	1265.53374	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+2K-H"	76.91904
"1089656"	473.12394	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2K-H"	76.91904
"145379"	435.168058	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"2M+2K"	77.926316
"584943"	633.270508	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"3M+2K"	77.926316
"1076014"	237.065608	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2K"	77.926316
"1108129"	475.138492	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2K+H"	78.933592
"1342326"	475.226107	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+DMSO+H"	79.021207
"1008669"	479.265276	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2ACN+H"	83.060376
"1531169"	480.258908	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+IsoProp+Na+H"	84.054008
"992149"	240.136276	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+2ACN+2H"	84.067652
"1589932"	481.173528	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+K+HCOOH"	84.968628
"1421062"	511.205038	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+H+CF3COOH"	115.000138
"1157910"	260.649551	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+3ACN+2H"	125.094202
"1705274"	528.231585	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+NH4+CF3COOH"	132.026685
"1638738"	533.18698	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+Na+CF3COOH"	136.98208
"1574390"	549.16092	"C11784"	"Echitovenine"	"C23H28N2O4"	"396.2049"	"M+K+CF3COOH"	152.95602
"816795"	271.1208	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M"	0
"983758"	252.10241	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"77798"	179.739924	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"517395"	270.113524	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"890457"	89.366324	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"12313"	270.113524	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"446405"	405.673924	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"818743"	134.553124	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"82014"	541.234324	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"521209"	812.355124	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"899012"	270.113524	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"50104"	558.260871	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"499880"	829.381671	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"874401"	287.140071	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"42302"	563.216266	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"485142"	834.337066	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"864193"	292.095466	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1627010"	292.095466	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"103540"	288.101863	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"540913"	423.662263	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"934428"	152.541463	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"277359"	577.211002	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"674399"	848.331802	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1282925"	306.090202	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"23298"	579.190206	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"462129"	850.311006	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"842117"	308.069406	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1560137"	308.069406	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"951299"	316.118994	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"368421"	587.239801	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"353400"	601.255451	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1502965"	330.134651	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"968319"	338.100951	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"116500"	306.090202	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"560799"	441.650602	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1029234"	170.529802	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1252822"	350.039685	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1310896"	352.095672	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1326933"	374.077629	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"922001"	384.106386	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1300897"	420.083064	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1373590"	236.108124	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1392181"	254.1181	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"291868"	543.248876	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"688663"	814.369676	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1362825"	272.128076	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"135716"	272.128076	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"575281"	407.688476	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1045173"	136.567676	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"213074"	181.754476	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"656644"	272.128076	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1170761"	91.380876	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"434033"	560.275423	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"798675"	831.396223	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1690264"	289.154623	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"338543"	280.6413495	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"730965"	416.2017495	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1488067"	145.0809495	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"402374"	565.230818	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"765554"	836.351618	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1616931"	294.110018	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"328910"	283.119047	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"718293"	418.679447	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1473936"	147.558647	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1062078"	98.70819	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1261566"	304.154286	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"388899"	581.204758	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"752084"	852.325558	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1547575"	310.083958	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"310220"	291.106017	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"697174"	426.666417	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1450993"	155.545617	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"237771"	584.275426	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1215592"	313.154626	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1202752"	157.080951	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"195624"	587.21276	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"631904"	858.33356	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1133949"	316.09196	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"184172"	294.110018	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"623735"	429.670418	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1128334"	158.549618	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1405295"	106.035504	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1443242"	318.133546	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"227107"	299.14304	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1522095"	332.18559	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"421423"	302.096988	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"780228"	437.657388	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1672188"	166.536588	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"261988"	606.257368	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1232515"	335.136568	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1714839"	335.160093	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1184567"	113.362818	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1661020"	340.115488	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"158040"	619.16064	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"597394"	890.28144	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1086853"	348.03984	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"142940"	310.083958	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"586144"	445.644358	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1071749"	174.523558	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1100949"	350.054392	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1337698"	350.142007	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1006955"	354.181176	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1527999"	355.174808	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"991530"	177.594226	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1588582"	356.089428	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1420078"	386.120938	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1154741"	198.107501	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1704294"	403.147485	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1639944"	408.10288	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1574500"	424.07682	"C11785"	"Normorphine"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"808147"	301.1314	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M"	0
"978399"	282.11301	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"75394"	199.746990666667	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"513858"	300.124124	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"890567"	99.3698573333333	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"11330"	300.124124	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"447608"	450.689824	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"819949"	149.558424	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"81032"	601.255524	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"519862"	902.386924	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"899854"	300.124124	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"50217"	618.282071	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"500963"	919.413471	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"874511"	317.150671	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"42412"	623.237466	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"484159"	924.368866	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"863950"	322.106066	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1629308"	322.106066	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"106930"	318.112463	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"541023"	468.678163	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"934538"	167.546763	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"279292"	637.232202	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"673172"	938.363602	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1283766"	336.100802	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"29232"	639.211406	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"466977"	940.342806	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"844414"	338.080006	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1567539"	338.080006	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"955422"	346.129594	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"374366"	647.261001	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"355333"	661.276651	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1501982"	360.145251	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"967701"	368.111551	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"117703"	336.100802	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"559450"	486.666502	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1027157"	185.535102	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1250016"	380.050285	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1310277"	382.106272	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1326679"	404.088229	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"919924"	414.116986	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1301736"	450.093664	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1374793"	266.118724	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1393385"	284.1287	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"289791"	603.270076	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"680389"	904.401476	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1357833"	302.138676	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"129264"	302.138676	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"577578"	452.704376	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1045281"	151.572976	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"214277"	201.761542666667	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"657118"	302.138676	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1170872"	101.384409333333	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"435237"	620.296623	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"799149"	921.428023	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1689281"	319.165223	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"337560"	310.6519495	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"735087"	461.2176495	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1489269"	160.0862495	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"405400"	625.252018	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"764570"	926.383418	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1615949"	324.120618	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"328898"	313.129647	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"718403"	463.695347	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1474046"	162.563947	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1061095"	108.711723333333	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1261678"	334.164886	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"387916"	641.225958	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"751101"	942.357358	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1547685"	340.094558	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"308144"	321.116617	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"696189"	471.682317	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1447823"	170.550917	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"237517"	644.296626	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1214605"	343.165226	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1200676"	172.086251	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"191722"	647.23396	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"632378"	948.36536	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1134059"	346.10256	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"182096"	324.120618	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"626032"	474.686318	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1129173"	173.554918	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1402125"	116.039037333333	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1436427"	348.144146	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"229405"	329.15364	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1519653"	362.19619	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"418251"	332.107588	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"780338"	482.673288	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1675578"	181.541888	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"258818"	666.278568	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1235905"	365.147168	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1719325"	365.170693	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1186865"	123.366351333333	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1662223"	370.126088	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"160338"	679.18184	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"598197"	980.31324	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1086963"	378.05044	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"144874"	340.094558	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"586254"	490.660258	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1072226"	189.528858	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1103977"	380.064992	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1339269"	380.152607	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1008886"	384.191776	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1529203"	385.185408	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"996744"	192.599526	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1589058"	386.100028	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1422375"	416.131538	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1153757"	213.112801	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1705498"	433.158085	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1643334"	438.11348	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1574610"	454.08742	"C11786"	"Morphine N-oxide"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"808257"	311.1521	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M"	0
"978509"	292.13371	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-H2O-H"	-19.01839
"73316"	206.427457333333	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M-3H"	-3.021828
"511781"	310.144824	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M-3H"	-3.021828
"885209"	102.710090666667	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-3H"	-3.021828
"9253"	310.144824	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M-2H"	-2.014552
"444438"	465.720874	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M-2H"	-2.014552
"821152"	154.568774	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-2H"	-2.014552
"82237"	621.296924	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M-H"	-1.007276
"522891"	932.449024	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M-H"	-1.007276
"896680"	310.144824	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-H"	-1.007276
"50692"	638.323471	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M-2H+NH4"	16.019271
"488435"	949.475571	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M-2H+NH4"	16.019271
"869153"	327.171371	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-2H+NH4"	16.019271
"37054"	643.278866	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M-2H+Na"	20.974666
"477708"	954.430966	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M-2H+Na"	20.974666
"858791"	332.126766	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-2H+Na"	20.974666
"1633511"	332.126766	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Na-2H"	20.974666
"107042"	328.133163	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M-H+Cl"	33.962126
"544415"	483.709213	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M-H+Cl"	33.962126
"942431"	172.557113	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-H+Cl"	33.962126
"278674"	657.273602	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+Cl"	34.969402
"674011"	968.425702	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+Cl"	34.969402
"1282417"	346.121502	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Cl"	34.969402
"27156"	659.252806	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M-2H+K"	36.948606
"467816"	970.404906	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M-2H+K"	36.948606
"843430"	348.100706	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-2H+K"	36.948606
"1563639"	348.100706	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+K-2H"	36.948606
"953344"	356.150294	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-H+HCOOH"	44.998194
"374111"	667.302401	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+HCOOH-H"	44.998201
"354714"	681.318051	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+Hac-H"	59.013851
"1499175"	370.165951	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Hac-H"	59.013851
"963803"	378.132251	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-H+NaCOOH"	66.980151
"115626"	346.121502	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+2Cl"	69.938804
"556280"	501.697552	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+2Cl"	69.938804
"1027267"	190.545452	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2Cl"	69.938804
"1246479"	390.070985	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Br"	78.918885
"1308927"	392.126972	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Cl+HCOOH"	80.974872
"1324965"	414.108929	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Cl+NaCOOH"	102.956829
"918210"	424.137686	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M-H+CF3COOH"	112.985586
"1293097"	460.114364	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Cl+CF3COOH"	148.962264
"1372351"	276.139424	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H-2H2O"	-35.012676
"1390212"	294.1494	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H-H2O"	-17.0027
"288441"	623.311476	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+H"	1.007276
"683417"	934.463576	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+H"	1.007276
"1357580"	312.159376	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H"	1.007276
"129376"	312.159376	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+2H"	2.014552
"576595"	467.735426	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+2H"	2.014552
"1045394"	156.583326	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2H"	2.014552
"213293"	208.442009333333	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+3H"	3.021828
"656134"	312.159376	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+3H"	3.021828
"1173167"	104.724642666667	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+3H"	3.021828
"436438"	640.338023	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+NH4"	18.033823
"795248"	951.490123	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+NH4"	18.033823
"1689391"	329.185923	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+NH4"	18.033823
"338764"	320.6726495	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+H+NH4"	19.041099
"732278"	476.2486995	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+H+NH4"	19.041099
"1488284"	165.0965995	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H+NH4"	19.041099
"404778"	645.293418	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+Na"	22.989218
"766864"	956.445518	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+Na"	22.989218
"1617150"	334.141318	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Na"	22.989218
"325728"	323.150347	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+H+Na"	23.996494
"719607"	478.726397	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+H+Na"	23.996494
"1474155"	167.574297	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H+Na"	23.996494
"1061933"	112.051956666667	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2H+Na"	25.00377
"1265067"	344.185586	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+CH3OH+H"	33.033486
"389119"	661.267358	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+K"	38.963158
"750118"	972.419458	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+K"	38.963158
"1545609"	350.115258	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+K"	38.963158
"307159"	331.137317	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+H+K"	39.970434
"697393"	486.713367	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+H+K"	39.970434
"1451213"	175.561267	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H+K"	39.970434
"236531"	664.338026	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+ACN+H"	42.033826
"1214715"	353.185926	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+ACN+H"	42.033826
"1200785"	177.096601	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+ACN+2H"	43.041102
"192561"	667.27536	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+2Na-H"	44.97116
"631027"	978.42746	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+2Na-H"	44.97116
"1133803"	356.12326	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2Na-H"	44.97116
"181109"	334.141318	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+2Na"	45.978436
"622858"	489.717368	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+2Na"	45.978436
"1130012"	178.565268	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2Na"	45.978436
"1401506"	119.379270666667	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H+2Na"	46.985712
"1434716"	358.164846	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H+HCOOH"	47.012746
"228421"	339.17434	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+3H2O+2H"	56.04448
"1519764"	372.21689	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+IsoProp+H"	61.06479
"422735"	342.128288	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+Na+K"	61.952376
"783727"	497.704338	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+Na+K"	61.952376
"1677877"	186.552238	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Na+K"	61.952376
"263302"	686.319968	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+ACN+Na"	64.015768
"1236015"	375.167868	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+ACN+Na"	64.015768
"1720529"	375.191393	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+NH4+HCOOH"	64.039293
"1188068"	126.706584666667	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+3Na"	68.967654
"1662333"	380.146788	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Na+HCOOH"	68.994688
"161541"	699.22324	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+2K-H"	76.91904
"598307"	1010.37534	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+2K-H"	76.91904
"1087437"	388.07114	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2K-H"	76.91904
"145711"	350.115258	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"2M+2K"	77.926316
"584545"	505.691308	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"3M+2K"	77.926316
"1072700"	194.539208	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2K"	77.926316
"1105180"	390.085692	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2K+H"	78.933592
"1339378"	390.173307	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+DMSO+H"	79.021207
"1009001"	394.212476	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2ACN+H"	83.060376
"1529313"	395.206108	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+IsoProp+Na+H"	84.054008
"993574"	197.609876	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+2ACN+2H"	84.067652
"1590263"	396.120728	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+K+HCOOH"	84.968628
"1418112"	426.152238	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+H+CF3COOH"	115.000138
"1150587"	218.123151	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+3ACN+2H"	125.094202
"1705608"	443.178785	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+NH4+CF3COOH"	132.026685
"1640164"	448.13418	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+Na+CF3COOH"	136.98208
"1574720"	464.10812	"C11787"	"Nalorphine"	"C19H21NO3"	"311.1521"	"M+K+CF3COOH"	152.95602
"811647"	241.1831	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M"	0
"985180"	222.16471	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-H2O-H"	-19.01839
"63944"	159.781457333333	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M-3H"	-3.021828
"510798"	240.175824	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M-3H"	-3.021828
"885319"	79.3870906666667	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-3H"	-3.021828
"9363"	240.175824	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M-2H"	-2.014552
"440014"	360.767374	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M-2H"	-2.014552
"822357"	119.584274	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-2H"	-2.014552
"82348"	481.358924	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M-H"	-1.007276
"523001"	722.542024	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M-H"	-1.007276
"899711"	240.175824	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-H"	-1.007276
"49710"	498.385471	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M-2H+NH4"	16.019271
"500090"	739.568571	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M-2H+NH4"	16.019271
"874732"	257.202371	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-2H+NH4"	16.019271
"44820"	503.340866	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M-2H+Na"	20.974666
"485474"	744.523966	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M-2H+Na"	20.974666
"862184"	262.157766	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-2H+Na"	20.974666
"1627342"	262.157766	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Na-2H"	20.974666
"107152"	258.164163	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M-H+Cl"	33.962126
"543432"	378.755713	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M-H+Cl"	33.962126
"939137"	137.572613	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-H+Cl"	33.962126
"281702"	517.335602	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+Cl"	34.969402
"671207"	758.518702	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+Cl"	34.969402
"1282892"	276.152502	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Cl"	34.969402
"25080"	519.314806	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M-2H+K"	36.948606
"466470"	760.497906	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M-2H+K"	36.948606
"843541"	278.131706	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-2H+K"	36.948606
"1560469"	278.131706	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+K-2H"	36.948606
"949445"	286.181294	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-H+HCOOH"	44.998194
"372035"	527.364401	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+HCOOH-H"	44.998201
"353732"	541.380051	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+Hac-H"	59.013851
"1498192"	300.196951	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Hac-H"	59.013851
"962453"	308.163251	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-H+NaCOOH"	66.980151
"112452"	276.152502	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+2Cl"	69.938804
"553473"	396.744052	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+2Cl"	69.938804
"1026280"	155.560952	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2Cl"	69.938804
"1245495"	320.101985	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Br"	78.918885
"1313776"	322.157972	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Cl+HCOOH"	80.974872
"1321794"	344.139929	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Cl+NaCOOH"	102.956829
"919050"	354.168686	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M-H+CF3COOH"	112.985586
"1291020"	390.145364	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Cl+CF3COOH"	148.962264
"1370274"	206.170424	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H-2H2O"	-35.012676
"1389230"	224.1804	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H-H2O"	-17.0027
"286731"	483.373476	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+H"	1.007276
"684621"	724.556576	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+H"	1.007276
"1357690"	242.190376	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H"	1.007276
"132766"	242.190376	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+2H"	2.014552
"577798"	362.781926	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+2H"	2.014552
"1046597"	121.598826	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2H"	2.014552
"215228"	161.796009333333	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+3H"	3.021828
"651871"	242.190376	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+3H"	3.021828
"1173276"	81.4016426666667	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+3H"	3.021828
"436549"	500.400023	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+NH4"	18.033823
"799733"	741.583123	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+NH4"	18.033823
"1691689"	259.216923	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+NH4"	18.033823
"337781"	250.7036495	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+H+NH4"	19.041099
"731296"	371.2951995	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+H+NH4"	19.041099
"1488396"	130.1120995	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H+NH4"	19.041099
"407562"	505.355418	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+Na"	22.989218
"768068"	746.538518	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+Na"	22.989218
"1616530"	264.172318	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Na"	22.989218
"328025"	253.181347	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+H+Na"	23.996494
"721541"	373.772897	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+H+Na"	23.996494
"1474265"	132.589797	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H+Na"	23.996494
"1063137"	88.7289566666667	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2H+Na"	25.00377
"1264814"	274.216586	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+CH3OH+H"	33.033486
"388136"	521.329358	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+K"	38.963158
"748042"	762.512458	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+K"	38.963158
"1549000"	280.146258	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+K"	38.963158
"305082"	261.168317	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+H+K"	39.970434
"696410"	381.759867	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+H+K"	39.970434
"1451323"	140.576767	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H+K"	39.970434
"238098"	524.400026	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+ACN+H"	42.033826
"1211906"	283.216926	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+ACN+H"	42.033826
"1196514"	142.112101	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+ACN+2H"	43.041102
"191940"	527.33736	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+2Na-H"	44.97116
"630038"	768.52046	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+2Na-H"	44.97116
"1133545"	286.15426	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2Na-H"	44.97116
"175748"	264.172318	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+2Na"	45.978436
"618595"	384.763868	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+2Na"	45.978436
"1129757"	143.580768	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2Na"	45.978436
"1403802"	96.0562706666667	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H+2Na"	46.985712
"1444673"	288.195846	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H+HCOOH"	47.012746
"231812"	269.20534	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+3H2O+2H"	56.04448
"1519874"	302.24789	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+IsoProp+H"	61.06479
"419564"	272.159288	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+Na+K"	61.952376
"782379"	392.750838	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+Na+K"	61.952376
"1673609"	151.567738	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Na+K"	61.952376
"264507"	546.381968	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+ACN+Na"	64.015768
"1238311"	305.198868	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+ACN+Na"	64.015768
"1720638"	305.222393	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+NH4+HCOOH"	64.039293
"1188178"	103.383584666667	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+3Na"	68.967654
"1660257"	310.177788	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Na+HCOOH"	68.994688
"161652"	559.28524	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+2K-H"	76.91904
"597445"	800.46834	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+2K-H"	76.91904
"1087547"	318.10214	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2K-H"	76.91904
"143634"	280.146258	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"2M+2K"	77.926316
"583924"	400.737808	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"3M+2K"	77.926316
"1072811"	159.554708	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2K"	77.926316
"1105292"	320.116692	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2K+H"	78.933592
"1338760"	320.204307	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+DMSO+H"	79.021207
"1011298"	324.243476	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2ACN+H"	83.060376
"1529423"	325.237108	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+IsoProp+Na+H"	84.054008
"994777"	162.625376	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+2ACN+2H"	84.067652
"1590373"	326.151728	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+K+HCOOH"	84.968628
"1418222"	356.183238	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+H+CF3COOH"	115.000138
"1150697"	183.138651	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+3ACN+2H"	125.094202
"1698059"	373.209785	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+NH4+CF3COOH"	132.026685
"1638087"	378.16518	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+Na+CF3COOH"	136.98208
"1574830"	394.13912	"C11788"	"17-Methylmorphinan;N-Methyl morphinan"	"C17H23N"	"241.1831"	"M+K+CF3COOH"	152.95602
"808477"	231.1623	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M"	0
"978729"	212.14391	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-H2O-H"	-19.01839
"65147"	153.100924	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M-3H"	-3.021828
"509815"	230.155024	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M-3H"	-3.021828
"886522"	76.046824	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-3H"	-3.021828
"4003"	230.155024	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M-2H"	-2.014552
"440766"	345.736174	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M-2H"	-2.014552
"825747"	114.573874	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-2H"	-2.014552
"84645"	461.317324	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M-H"	-1.007276
"526391"	692.479624	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M-H"	-1.007276
"906381"	230.155024	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-H"	-1.007276
"50913"	478.343871	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M-2H+NH4"	16.019271
"489385"	709.506171	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M-2H+NH4"	16.019271
"869374"	247.181571	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-2H+NH4"	16.019271
"40555"	483.299266	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M-2H+Na"	20.974666
"484491"	714.461566	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M-2H+Na"	20.974666
"861931"	252.136966	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-2H+Na"	20.974666
"1627452"	252.136966	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Na-2H"	20.974666
"105076"	248.143363	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M-H+Cl"	33.962126
"541355"	363.724513	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M-H+Cl"	33.962126
"938153"	132.562213	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-H+Cl"	33.962126
"280234"	497.294002	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+Cl"	34.969402
"670223"	728.456302	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+Cl"	34.969402
"1281544"	266.131702	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Cl"	34.969402
"24096"	499.273206	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M-2H+K"	36.948606
"465122"	730.435506	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M-2H+K"	36.948606
"842559"	268.110906	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-2H+K"	36.948606
"1564953"	268.110906	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+K-2H"	36.948606
"950650"	276.160494	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-H+HCOOH"	44.998194
"371417"	507.322801	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+HCOOH-H"	44.998201
"354937"	521.338451	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+Hac-H"	59.013851
"1495386"	290.176151	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Hac-H"	59.013851
"961834"	298.142451	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-H+NaCOOH"	66.980151
"113293"	266.131702	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+2Cl"	69.938804
"553947"	381.712852	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+2Cl"	69.938804
"1025662"	150.550552	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2Cl"	69.938804
"1247792"	310.081185	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Br"	78.918885
"1315710"	312.137172	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Cl+HCOOH"	80.974872
"1321904"	334.119129	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Cl+NaCOOH"	102.956829
"915514"	344.147886	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M-H+CF3COOH"	112.985586
"1290765"	380.124564	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Cl+CF3COOH"	148.962264
"1374394"	196.149624	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H-2H2O"	-35.012676
"1389340"	214.1596	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H-H2O"	-17.0027
"289028"	463.331876	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+H"	1.007276
"684731"	694.494176	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+H"	1.007276
"1358894"	232.169576	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H"	1.007276
"139437"	232.169576	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+2H"	2.014552
"577910"	347.750726	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+2H"	2.014552
"1045614"	116.588426	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2H"	2.014552
"212422"	155.115476	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+3H"	3.021828
"651982"	232.169576	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+3H"	3.021828
"1172295"	78.061376	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+3H"	3.021828
"433378"	480.358423	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+NH4"	18.033823
"796562"	711.520723	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+NH4"	18.033823
"1689612"	249.196123	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+NH4"	18.033823
"336795"	240.6828495	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+H+NH4"	19.041099
"734684"	356.2639995	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+H+NH4"	19.041099
"1487411"	125.1016995	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H+NH4"	19.041099
"403902"	485.313818	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+Na"	22.989218
"768179"	716.476118	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+Na"	22.989218
"1616640"	254.151518	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Na"	22.989218
"326677"	243.160547	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+H+Na"	23.996494
"721407"	358.741697	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+H+Na"	23.996494
"1474375"	127.579397	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H+Na"	23.996494
"1064703"	85.38869	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2H+Na"	25.00377
"1267474"	264.195786	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+CH3OH+H"	33.033486
"390433"	501.287758	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+K"	38.963158
"744872"	732.450058	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+K"	38.963158
"1546923"	270.125458	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+K"	38.963158
"305191"	251.147517	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+H+K"	39.970434
"696520"	366.728667	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+H+K"	39.970434
"1450340"	135.566367	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H+K"	39.970434
"238938"	504.358426	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+ACN+H"	42.033826
"1212379"	273.196126	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+ACN+H"	42.033826
"1195531"	137.101701	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+ACN+2H"	43.041102
"191322"	507.29576	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+2Na-H"	44.97116
"630026"	738.45806	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+2Na-H"	44.97116
"1131954"	276.13346	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2Na-H"	44.97116
"174762"	254.151518	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+2Na"	45.978436
"616882"	369.732668	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+2Na"	45.978436
"1127318"	138.570368	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2Na"	45.978436
"1407922"	92.716004	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H+2Na"	46.985712
"1437857"	278.175046	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H+HCOOH"	47.012746
"227549"	259.18454	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+3H2O+2H"	56.04448
"1514517"	292.22709	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+IsoProp+H"	61.06479
"418581"	262.138488	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+Na+K"	61.952376
"776293"	377.719638	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+Na+K"	61.952376
"1671533"	146.557338	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Na+K"	61.952376
"263526"	526.340368	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+ACN+Na"	64.015768
"1237328"	295.178068	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+ACN+Na"	64.015768
"1720748"	295.201593	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+NH4+HCOOH"	64.039293
"1190476"	100.043318	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+3Na"	68.967654
"1662554"	300.156988	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Na+HCOOH"	68.994688
"163948"	539.24364	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+2K-H"	76.91904
"600229"	770.40594	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+2K-H"	76.91904
"1089116"	308.08134	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2K-H"	76.91904
"143745"	270.125458	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"2M+2K"	77.926316
"588774"	385.706608	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"3M+2K"	77.926316
"1074379"	154.544308	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2K"	77.926316
"1106495"	310.095892	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2K+H"	78.933592
"1343972"	310.183507	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+DMSO+H"	79.021207
"1011408"	314.222676	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2ACN+H"	83.060376
"1532813"	315.216308	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+IsoProp+Na+H"	84.054008
"998168"	157.614976	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+2ACN+2H"	84.067652
"1591576"	316.130928	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+K+HCOOH"	84.968628
"1419425"	346.162438	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+H+CF3COOH"	115.000138
"1151900"	178.128251	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+3ACN+2H"	125.094202
"1697440"	363.188985	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+NH4+CF3COOH"	132.026685
"1638197"	368.14438	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+Na+CF3COOH"	136.98208
"1574940"	384.11832	"C11789"	"Metazocine"	"C15H21NO"	"231.1623"	"M+K+CF3COOH"	152.95602
"811868"	321.2093	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M"	0
"987588"	302.19091	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-H2O-H"	-19.01839
"71456"	213.132257333333	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M-3H"	-3.021828
"514300"	320.202024	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M-3H"	-3.021828
"892103"	106.062490666667	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-3H"	-3.021828
"4115"	320.202024	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M-2H"	-2.014552
"455267"	480.806674	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M-2H"	-2.014552
"829141"	159.597374	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-2H"	-2.014552
"93141"	641.411324	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M-H"	-1.007276
"533067"	962.620624	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M-H"	-1.007276
"910018"	320.202024	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-H"	-1.007276
"58680"	658.437871	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M-2H+NH4"	16.019271
"498244"	979.647171	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M-2H+NH4"	16.019271
"871672"	337.228571	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-2H+NH4"	16.019271
"41760"	663.393266	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M-2H+Na"	20.974666
"485693"	984.602566	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M-2H+Na"	20.974666
"862040"	342.183966	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-2H+Na"	20.974666
"1629754"	342.183966	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Na-2H"	20.974666
"104095"	338.190363	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M-H+Cl"	33.962126
"543660"	498.795013	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M-H+Cl"	33.962126
"936082"	177.585713	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-H+Cl"	33.962126
"280834"	677.388002	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+Cl"	34.969402
"671432"	998.597302	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+Cl"	34.969402
"1283840"	356.178702	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Cl"	34.969402
"24573"	679.367206	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M-2H+K"	36.948606
"464869"	1000.576506	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M-2H+K"	36.948606
"842672"	358.157906	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-2H+K"	36.948606
"1567253"	358.157906	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+K-2H"	36.948606
"951853"	366.207494	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-H+HCOOH"	44.998194
"371166"	687.416801	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+HCOOH-H"	44.998201
"353954"	701.432451	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+Hac-H"	59.013851
"1494763"	380.223151	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Hac-H"	59.013851
"958939"	388.189451	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-H+NaCOOH"	66.980151
"111944"	356.178702	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+2Cl"	69.938804
"555517"	516.783352	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+2Cl"	69.938804
"1028324"	195.574052	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2Cl"	69.938804
"1252282"	400.128185	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Br"	78.918885
"1317280"	402.184172	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Cl+HCOOH"	80.974872
"1331496"	424.166129	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Cl+NaCOOH"	102.956829
"915263"	434.194886	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M-H+CF3COOH"	112.985586
"1299262"	470.171564	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Cl+CF3COOH"	148.962264
"1380705"	286.196624	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H-2H2O"	-35.012676
"1396014"	304.2066	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H-H2O"	-17.0027
"297523"	643.425876	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+H"	1.007276
"685935"	964.635176	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+H"	1.007276
"1364472"	322.216576	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H"	1.007276
"140848"	322.216576	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+2H"	2.014552
"580572"	482.821226	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+2H"	2.014552
"1052618"	161.611926	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2H"	2.014552
"219831"	215.146809333333	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+3H"	3.021828
"659835"	322.216576	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+3H"	3.021828
"1174592"	108.077042666667	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+3H"	3.021828
"433491"	660.452423	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+NH4"	18.033823
"794485"	981.661723	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+NH4"	18.033823
"1687536"	339.243123	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+NH4"	18.033823
"343104"	330.7298495	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+H+NH4"	19.041099
"735525"	491.3344995	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+H+NH4"	19.041099
"1488616"	170.1251995	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H+NH4"	19.041099
"402920"	665.407818	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+Na"	22.989218
"766103"	986.617118	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+Na"	22.989218
"1616387"	344.198518	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Na"	22.989218
"329339"	333.207547	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+H+Na"	23.996494
"718479"	493.812197	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+H+Na"	23.996494
"1474851"	172.602897	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H+Na"	23.996494
"1062627"	115.404356666667	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2H+Na"	25.00377
"1268679"	354.242786	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+CH3OH+H"	33.033486
"392534"	681.381758	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+K"	38.963158
"747169"	1002.591058	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+K"	38.963158
"1544847"	360.172458	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+K"	38.963158
"307489"	341.194517	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+H+K"	39.970434
"701005"	501.799167	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+H+K"	39.970434
"1451543"	180.589867	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H+K"	39.970434
"237961"	684.452426	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+ACN+H"	42.033826
"1215046"	363.243126	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+ACN+H"	42.033826
"1197838"	182.125201	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+ACN+2H"	43.041102
"192894"	687.38976	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+2Na-H"	44.97116
"631722"	1008.59906	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+2Na-H"	44.97116
"1133769"	366.18046	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2Na-H"	44.97116
"184359"	344.198518	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+2Na"	45.978436
"622097"	504.803168	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+2Na"	45.978436
"1125604"	183.593868	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2Na"	45.978436
"1406939"	122.731670666667	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H+2Na"	46.985712
"1442342"	368.222046	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H+HCOOH"	47.012746
"235566"	349.23154	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+3H2O+2H"	56.04448
"1523379"	382.27409	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+IsoProp+H"	61.06479
"423923"	352.185488	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+Na+K"	61.952376
"784061"	512.790138	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+Na+K"	61.952376
"1671643"	191.580838	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Na+K"	61.952376
"266552"	706.434368	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+ACN+Na"	64.015768
"1238173"	385.225068	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+ACN+Na"	64.015768
"1726572"	385.248593	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+NH4+HCOOH"	64.039293
"1191679"	130.058984666667	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+3Na"	68.967654
"1663759"	390.203988	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Na+HCOOH"	68.994688
"166248"	719.33764	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+2K-H"	76.91904
"609454"	1040.54694	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+2K-H"	76.91904
"1095788"	398.12834	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2K-H"	76.91904
"153698"	360.172458	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"2M+2K"	77.926316
"593989"	520.777108	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"3M+2K"	77.926316
"1077770"	199.567808	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2K"	77.926316
"1109886"	400.142892	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2K+H"	78.933592
"1342991"	400.230507	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+DMSO+H"	79.021207
"1016987"	404.269676	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2ACN+H"	83.060376
"1531833"	405.263308	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+IsoProp+Na+H"	84.054008
"1002654"	202.638476	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+2ACN+2H"	84.067652
"1593875"	406.177928	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+K+HCOOH"	84.968628
"1427193"	436.209438	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+H+CF3COOH"	115.000138
"1158573"	223.151751	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+3ACN+2H"	125.094202
"1705938"	453.235985	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+NH4+CF3COOH"	132.026685
"1638307"	458.19138	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+Na+CF3COOH"	136.98208
"1575050"	474.16532	"C11790"	"Phenazocine"	"C22H27NO"	"321.2093"	"M+K+CF3COOH"	152.95602
"808697"	315.2198	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M"	0
"974326"	296.20141	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-H2O-H"	-19.01839
"66096"	209.139257333333	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M-3H"	-3.021828
"505657"	314.212524	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M-3H"	-3.021828
"886742"	104.065990666667	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-3H"	-3.021828
"7504"	314.212524	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M-2H"	-2.014552
"440989"	471.822424	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M-2H"	-2.014552
"825967"	156.602624	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-2H"	-2.014552
"92519"	629.432324	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M-H"	-1.007276
"523329"	944.652124	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M-H"	-1.007276
"909880"	314.212524	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-H"	-1.007276
"51133"	646.458871	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M-2H+NH4"	16.019271
"495073"	961.678671	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M-2H+NH4"	16.019271
"871782"	331.239071	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-2H+NH4"	16.019271
"41870"	651.414266	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M-2H+Na"	20.974666
"485439"	966.634066	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M-2H+Na"	20.974666
"860327"	336.194466	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-2H+Na"	20.974666
"1630957"	336.194466	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Na-2H"	20.974666
"106392"	332.200863	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M-H+Cl"	33.962126
"547778"	489.810763	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M-H+Cl"	33.962126
"939472"	174.590963	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-H+Cl"	33.962126
"280577"	665.409002	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+Cl"	34.969402
"672270"	980.628802	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+Cl"	34.969402
"1283947"	350.189202	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Cl"	34.969402
"27232"	667.388206	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M-2H+K"	36.948606
"468257"	982.608006	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M-2H+K"	36.948606
"847516"	352.168406	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-2H+K"	36.948606
"1569183"	352.168406	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+K-2H"	36.948606
"954150"	360.217994	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-H+HCOOH"	44.998194
"369090"	675.437801	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+HCOOH-H"	44.998201
"354065"	689.453451	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+Hac-H"	59.013851
"1494873"	374.233651	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Hac-H"	59.013851
"959133"	382.199951	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-H+NaCOOH"	66.980151
"113876"	350.189202	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+2Cl"	69.938804
"551980"	507.799102	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+2Cl"	69.938804
"1029892"	192.579302	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2Cl"	69.938804
"1250566"	394.138685	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Br"	78.918885
"1315202"	396.194672	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Cl+HCOOH"	80.974872
"1326138"	418.176629	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Cl+NaCOOH"	102.956829
"913185"	428.205386	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M-H+CF3COOH"	112.985586
"1293175"	464.182064	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Cl+CF3COOH"	148.962264
"1378628"	280.207124	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H-2H2O"	-35.012676
"1391749"	298.2171	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H-H2O"	-17.0027
"291436"	631.446876	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+H"	1.007276
"686044"	946.666676	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+H"	1.007276
"1363487"	316.227076	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H"	1.007276
"141381"	316.227076	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+2H"	2.014552
"579222"	473.836976	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+2H"	2.014552
"1052767"	158.617176	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2H"	2.014552
"219451"	211.153809333333	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+3H"	3.021828
"658283"	316.227076	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+3H"	3.021828
"1173609"	106.080542666667	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+3H"	3.021828
"432507"	648.473423	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+NH4"	18.033823
"799698"	963.693223	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+NH4"	18.033823
"1694938"	333.253623	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+NH4"	18.033823
"343579"	324.7403495	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+H+NH4"	19.041099
"737096"	482.3502495	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+H+NH4"	19.041099
"1490549"	167.1304495	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H+NH4"	19.041099
"406310"	653.428818	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+Na"	22.989218
"766212"	968.648618	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+Na"	22.989218
"1616497"	338.209018	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Na"	22.989218
"329328"	327.218047	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+H+Na"	23.996494
"719683"	484.827947	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+H+Na"	23.996494
"1473866"	169.608147	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H+Na"	23.996494
"1062737"	113.407856666667	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2H+Na"	25.00377
"1268790"	348.253286	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+CH3OH+H"	33.033486
"392358"	669.402758	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+K"	38.963158
"747279"	984.622558	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+K"	38.963158
"1546051"	354.182958	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+K"	38.963158
"306508"	335.205017	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+H+K"	39.970434
"697836"	492.814917	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+H+K"	39.970434
"1450560"	177.595117	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H+K"	39.970434
"241351"	672.473426	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+ACN+H"	42.033826
"1210779"	357.253626	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+ACN+H"	42.033826
"1199041"	179.130451	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+ACN+2H"	43.041102
"194098"	675.41076	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+2Na-H"	44.97116
"629401"	990.63056	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+2Na-H"	44.97116
"1132543"	360.19096	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2Na-H"	44.97116
"182647"	338.209018	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+2Na"	45.978436
"622202"	495.818918	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+2Na"	45.978436
"1119147"	180.599118	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2Na"	45.978436
"1405952"	120.735170666667	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H+2Na"	46.985712
"1440265"	362.232546	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H+HCOOH"	47.012746
"231050"	343.24204	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+3H2O+2H"	56.04448
"1516924"	376.28459	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+IsoProp+H"	61.06479
"423669"	346.195988	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+Na+K"	61.952376
"785396"	503.805888	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+Na+K"	61.952376
"1675033"	188.586088	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Na+K"	61.952376
"265936"	694.455368	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+ACN+Na"	64.015768
"1239737"	379.235568	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+ACN+Na"	64.015768
"1727530"	379.259093	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+NH4+HCOOH"	64.039293
"1192521"	128.062484666667	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+3Na"	68.967654
"1663869"	384.214488	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Na+HCOOH"	68.994688
"167451"	707.35864	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+2K-H"	76.91904
"609199"	1022.57844	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+2K-H"	76.91904
"1091524"	392.13884	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2K-H"	76.91904
"149434"	354.182958	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"2M+2K"	77.926316
"593369"	511.792858	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"3M+2K"	77.926316
"1074600"	196.573058	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2K"	77.926316
"1107809"	394.153392	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2K+H"	78.933592
"1339820"	394.241007	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+DMSO+H"	79.021207
"1010535"	398.280176	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2ACN+H"	83.060376
"1531940"	399.273808	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+IsoProp+Na+H"	84.054008
"996200"	199.643726	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+2ACN+2H"	84.067652
"1590703"	400.188428	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+K+HCOOH"	84.968628
"1420739"	430.219938	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+H+CF3COOH"	115.000138
"1158683"	220.157001	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+3ACN+2H"	125.094202
"1700580"	447.246485	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+NH4+CF3COOH"	132.026685
"1638417"	452.20188	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+Na+CF3COOH"	136.98208
"1571391"	468.17582	"C11791"	"Bremazocine"	"C20H29NO2"	"315.2198"	"M+K+CF3COOH"	152.95602
"805527"	247.1572	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M"	0
"975048"	228.13881	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-H2O-H"	-19.01839
"67299"	163.764190666667	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M-3H"	-3.021828
"506860"	246.149924	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M-3H"	-3.021828
"883572"	81.3784573333333	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-3H"	-3.021828
"7615"	246.149924	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M-2H"	-2.014552
"440095"	369.728524	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M-2H"	-2.014552
"826077"	122.571324	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-2H"	-2.014552
"91536"	493.307124	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M-H"	-1.007276
"523440"	740.464324	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M-H"	-1.007276
"909990"	246.149924	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-H"	-1.007276
"50514"	510.333671	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M-2H+NH4"	16.019271
"495183"	757.490871	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M-2H+NH4"	16.019271
"871892"	263.176471	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-2H+NH4"	16.019271
"41980"	515.289066	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M-2H+Na"	20.974666
"479353"	762.446266	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M-2H+Na"	20.974666
"860437"	268.131866	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-2H+Na"	20.974666
"1627787"	268.131866	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Na-2H"	20.974666
"106502"	264.138263	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M-H+Cl"	33.962126
"549345"	387.716863	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M-H+Cl"	33.962126
"941039"	140.559663	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-H+Cl"	33.962126
"279226"	529.283802	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+Cl"	34.969402
"671287"	776.441002	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+Cl"	34.969402
"1284057"	282.126602	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Cl"	34.969402
"24426"	531.263006	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M-2H+K"	36.948606
"468366"	778.420206	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M-2H+K"	36.948606
"846898"	284.105806	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-2H+K"	36.948606
"1569656"	284.105806	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+K-2H"	36.948606
"953166"	292.155394	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-H+HCOOH"	44.998194
"373570"	539.312601	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+HCOOH-H"	44.998201
"355994"	553.328251	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+Hac-H"	59.013851
"1494258"	306.171051	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Hac-H"	59.013851
"959611"	314.137351	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-H+NaCOOH"	66.980151
"112164"	282.126602	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+2Cl"	69.938804
"550179"	405.705202	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+2Cl"	69.938804
"1023073"	158.548002	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2Cl"	69.938804
"1247397"	326.076085	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Br"	78.918885
"1313126"	328.132072	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Cl+HCOOH"	80.974872
"1321509"	350.114029	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Cl+NaCOOH"	102.956829
"912931"	360.142786	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M-H+CF3COOH"	112.985586
"1293285"	396.119464	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Cl+CF3COOH"	148.962264
"1378738"	212.144524	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H-2H2O"	-35.012676
"1390766"	230.1545	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H-H2O"	-17.0027
"288265"	495.321676	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+H"	1.007276
"679592"	742.478876	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+H"	1.007276
"1359223"	248.164476	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H"	1.007276
"137583"	248.164476	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+2H"	2.014552
"574958"	371.743076	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+2H"	2.014552
"1052472"	124.585876	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2H"	2.014552
"219914"	165.778742666667	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+3H"	3.021828
"659121"	248.164476	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+3H"	3.021828
"1173719"	83.3930093333333	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+3H"	3.021828
"435897"	512.348223	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+NH4"	18.033823
"800175"	759.505423	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+NH4"	18.033823
"1695412"	265.191023	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+NH4"	18.033823
"342961"	256.6777495	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+H+NH4"	19.041099
"737207"	380.2563495	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+H+NH4"	19.041099
"1490294"	133.0991495	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H+NH4"	19.041099
"406056"	517.303618	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+Na"	22.989218
"767052"	764.460818	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+Na"	22.989218
"1616247"	270.146418	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Na"	22.989218
"328467"	259.155447	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+H+Na"	23.996494
"717972"	382.734047	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+H+Na"	23.996494
"1474344"	135.576847	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H+Na"	23.996494
"1063578"	90.7203233333333	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2H+Na"	25.00377
"1268900"	280.190686	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+CH3OH+H"	33.033486
"392347"	533.277558	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+K"	38.963158
"747388"	780.434758	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+K"	38.963158
"1547253"	286.120358	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+K"	38.963158
"306618"	267.142417	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+H+K"	39.970434
"699039"	390.721017	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+H+K"	39.970434
"1450670"	143.563817	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H+K"	39.970434
"241461"	536.348226	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+ACN+H"	42.033826
"1214167"	289.191026	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+ACN+H"	42.033826
"1200244"	145.099151	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+ACN+2H"	43.041102
"194208"	539.28556	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+2Na-H"	44.97116
"630847"	786.44276	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+2Na-H"	44.97116
"1133261"	292.12836	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2Na-H"	44.97116
"182753"	270.146418	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+2Na"	45.978436
"620126"	393.725018	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+2Na"	45.978436
"1120350"	146.567818	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2Na"	45.978436
"1406062"	98.0476373333333	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H+2Na"	46.985712
"1437089"	294.169946	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H+HCOOH"	47.012746
"225690"	275.17944	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+3H2O+2H"	56.04448
"1517032"	308.22199	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+IsoProp+H"	61.06479
"423897"	278.133388	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+Na+K"	61.952376
"784896"	401.711988	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+Na+K"	61.952376
"1675143"	154.554788	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Na+K"	61.952376
"264587"	558.330168	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+ACN+Na"	64.015768
"1238390"	311.172968	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+ACN+Na"	64.015768
"1726544"	311.196493	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+NH4+HCOOH"	64.039293
"1188619"	105.374951333333	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+3Na"	68.967654
"1664707"	316.151888	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Na+HCOOH"	68.994688
"167561"	571.23344	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+2K-H"	76.91904
"609309"	818.39064	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+2K-H"	76.91904
"1088718"	324.07624	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2K-H"	76.91904
"149544"	286.120358	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"2M+2K"	77.926316
"590199"	409.698958	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"3M+2K"	77.926316
"1072523"	162.541758	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2K"	77.926316
"1106826"	326.090792	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2K+H"	78.933592
"1338108"	326.178407	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+DMSO+H"	79.021207
"1010645"	330.217576	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2ACN+H"	83.060376
"1528770"	331.211208	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+IsoProp+Na+H"	84.054008
"993030"	165.612426	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+2ACN+2H"	84.067652
"1590813"	332.125828	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+K+HCOOH"	84.968628
"1417569"	362.157338	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+H+CF3COOH"	115.000138
"1158793"	186.125701	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+3ACN+2H"	125.094202
"1700690"	379.183885	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+NH4+CF3COOH"	132.026685
"1638527"	384.13928	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+Na+CF3COOH"	136.98208
"1571624"	400.11322	"C11792"	"Ketobemidone"	"C15H21NO2"	"247.1572"	"M+K+CF3COOH"	152.95602
"815115"	411.241	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M"	0
"982449"	392.22261	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-H2O-H"	-19.01839
"66316"	273.153390666667	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M-3H"	-3.021828
"509159"	410.233724	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M-3H"	-3.021828
"886962"	136.073057333333	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-3H"	-3.021828
"7725"	410.233724	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M-2H"	-2.014552
"447286"	615.854224	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M-2H"	-2.014552
"822908"	204.613224	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-2H"	-2.014552
"91283"	821.474724	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M-H"	-1.007276
"526830"	1232.715724	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M-H"	-1.007276
"908280"	410.233724	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-H"	-1.007276
"59008"	838.501271	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M-2H+NH4"	16.019271
"497844"	1249.742271	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M-2H+NH4"	16.019271
"874187"	427.260271	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-2H+NH4"	16.019271
"42089"	843.456666	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M-2H+Na"	20.974666
"483476"	1254.697666	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M-2H+Na"	20.974666
"860913"	432.215666	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-2H+Na"	20.974666
"1630812"	432.215666	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Na-2H"	20.974666
"101141"	428.222063	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M-H+Cl"	33.962126
"541795"	633.842563	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M-H+Cl"	33.962126
"938594"	222.601563	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-H+Cl"	33.962126
"278240"	857.451402	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+Cl"	34.969402
"671756"	1268.692402	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+Cl"	34.969402
"1285258"	446.210402	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Cl"	34.969402
"31249"	859.430606	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M-2H+K"	36.948606
"470865"	1270.671606	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M-2H+K"	36.948606
"847009"	448.189606	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-2H+K"	36.948606
"1568310"	448.189606	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+K-2H"	36.948606
"954370"	456.239194	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-H+HCOOH"	44.998194
"371495"	867.480201	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+HCOOH-H"	44.998201
"357928"	881.495851	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+Hac-H"	59.013851
"1495463"	470.254851	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Hac-H"	59.013851
"959722"	478.221151	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-H+NaCOOH"	66.980151
"114099"	446.210402	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+2Cl"	69.938804
"550020"	651.830902	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+2Cl"	69.938804
"1022455"	240.589902	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2Cl"	69.938804
"1246413"	490.159885	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Br"	78.918885
"1309955"	492.215872	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Cl+HCOOH"	80.974872
"1322348"	514.197829	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Cl+NaCOOH"	102.956829
"912311"	524.226586	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M-H+CF3COOH"	112.985586
"1293395"	560.203264	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Cl+CF3COOH"	148.962264
"1378848"	376.228324	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H-2H2O"	-35.012676
"1393063"	394.2383	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H-H2O"	-17.0027
"290562"	823.489276	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+H"	1.007276
"681889"	1234.730276	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+H"	1.007276
"1361521"	412.248276	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H"	1.007276
"137693"	412.248276	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+2H"	2.014552
"579442"	617.868776	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+2H"	2.014552
"1052015"	206.627776	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2H"	2.014552
"219431"	275.167942666667	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+3H"	3.021828
"659721"	412.248276	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+3H"	3.021828
"1178329"	138.087609333333	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+3H"	3.021828
"438808"	840.515823	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+NH4"	18.033823
"800042"	1251.756823	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+NH4"	18.033823
"1696012"	429.274823	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+NH4"	18.033823
"343438"	420.7615495	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+H+NH4"	19.041099
"736224"	626.3820495	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+H+NH4"	19.041099
"1490771"	215.1410495	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H+NH4"	19.041099
"406898"	845.471218	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+Na"	22.989218
"767528"	1256.712218	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+Na"	22.989218
"1617088"	434.230218	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Na"	22.989218
"328458"	423.239247	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+H+Na"	23.996494
"718083"	628.859747	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+H+Na"	23.996494
"1472994"	217.618747	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H+Na"	23.996494
"1062959"	145.414923333333	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2H+Na"	25.00377
"1263543"	444.274486	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+CH3OH+H"	33.033486
"392623"	861.445158	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+K"	38.963158
"751876"	1272.686158	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+K"	38.963158
"1550643"	450.204158	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+K"	38.963158
"307822"	431.226217	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+H+K"	39.970434
"698056"	636.846717	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+H+K"	39.970434
"1449689"	225.605717	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H+K"	39.970434
"239384"	864.515826	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+ACN+H"	42.033826
"1214277"	453.274826	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+ACN+H"	42.033826
"1200354"	227.141051	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+ACN+2H"	43.041102
"193222"	867.45316	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+2Na-H"	44.97116
"629136"	1278.69416	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+2Na-H"	44.97116
"1134100"	456.21216	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2Na-H"	44.97116
"180676"	434.230218	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+2Na"	45.978436
"615981"	639.850718	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+2Na"	45.978436
"1120460"	228.609718	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2Na"	45.978436
"1406172"	152.742237333333	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H+2Na"	46.985712
"1437199"	458.253746	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H+HCOOH"	47.012746
"225800"	439.26324	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+3H2O+2H"	56.04448
"1519329"	472.30579	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+IsoProp+H"	61.06479
"423686"	442.217188	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+Na+K"	61.952376
"785329"	647.837688	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+Na+K"	61.952376
"1674160"	236.596688	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Na+K"	61.952376
"266149"	886.497768	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+ACN+Na"	64.015768
"1237764"	475.256768	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+ACN+Na"	64.015768
"1725562"	475.280293	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+NH4+HCOOH"	64.039293
"1187636"	160.069551333333	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+3Na"	68.967654
"1662995"	480.235688	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Na+HCOOH"	68.994688
"167671"	899.40104	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+2K-H"	76.91904
"606139"	1310.64204	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+2K-H"	76.91904
"1087005"	488.16004	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2K-H"	76.91904
"152936"	450.204158	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"2M+2K"	77.926316
"587029"	655.824658	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"3M+2K"	77.926316
"1074821"	244.583658	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2K"	77.926316
"1104750"	490.174592	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2K+H"	78.933592
"1341134"	490.262207	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+DMSO+H"	79.021207
"1009662"	494.301376	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2ACN+H"	83.060376
"1526693"	495.295008	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+IsoProp+Na+H"	84.054008
"998608"	247.654326	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+2ACN+2H"	84.067652
"1592017"	496.209628	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+K+HCOOH"	84.968628
"1417679"	526.241138	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+H+CF3COOH"	115.000138
"1158904"	268.167601	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+3ACN+2H"	125.094202
"1700800"	543.267685	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+NH4+CF3COOH"	132.026685
"1644105"	548.22308	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+Na+CF3COOH"	136.98208
"1575381"	564.19702	"C11793"	"Etorphine"	"C25H33NO4"	"411.241"	"M+K+CF3COOH"	152.95602
"809027"	425.2566	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M"	0
"976361"	406.23821	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-H2O-H"	-19.01839
"65696"	282.497124	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M-3H"	-3.021828
"510362"	424.249324	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M-3H"	-3.021828
"887072"	140.744924	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-3H"	-3.021828
"10021"	424.249324	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M-2H"	-2.014552
"447396"	636.877624	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M-2H"	-2.014552
"826298"	211.621024	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-2H"	-2.014552
"91757"	849.505924	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M-H"	-1.007276
"528033"	1274.762524	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M-H"	-1.007276
"909118"	424.249324	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-H"	-1.007276
"59847"	866.532471	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M-2H+NH4"	16.019271
"497588"	1291.789071	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M-2H+NH4"	16.019271
"874297"	441.275871	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-2H+NH4"	16.019271
"42199"	871.487866	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M-2H+Na"	20.974666
"479575"	1296.744466	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M-2H+Na"	20.974666
"858470"	446.231266	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-2H+Na"	20.974666
"1628003"	446.231266	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Na-2H"	20.974666
"101251"	442.237663	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M-H+Cl"	33.962126
"541905"	654.865963	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M-H+Cl"	33.962126
"939798"	229.609363	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-H+Cl"	33.962126
"276163"	885.482602	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+Cl"	34.969402
"672231"	1310.739202	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+Cl"	34.969402
"1276614"	460.226002	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Cl"	34.969402
"26828"	887.461806	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M-2H+K"	36.948606
"470531"	1312.718406	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M-2H+K"	36.948606
"847113"	462.205206	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-2H+K"	36.948606
"1568419"	462.205206	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+K-2H"	36.948606
"956302"	470.254794	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-H+HCOOH"	44.998194
"374882"	895.511401	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+HCOOH-H"	44.998201
"358400"	909.527051	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+Hac-H"	59.013851
"1502131"	484.270451	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Hac-H"	59.013851
"963113"	492.236751	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-H+NaCOOH"	66.980151
"116393"	460.226002	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+2Cl"	69.938804
"550482"	672.854302	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+2Cl"	69.938804
"1023050"	247.597702	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2Cl"	69.938804
"1242144"	504.175485	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Br"	78.918885
"1307876"	506.231472	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Cl+HCOOH"	80.974872
"1321722"	528.213429	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Cl+NaCOOH"	102.956829
"912421"	538.242186	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M-H+CF3COOH"	112.985586
"1294233"	574.218864	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Cl+CF3COOH"	148.962264
"1367129"	390.243924	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H-2H2O"	-35.012676
"1393169"	408.2539	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H-H2O"	-17.0027
"290670"	851.520476	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+H"	1.007276
"680905"	1276.777076	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+H"	1.007276
"1361630"	426.263876	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H"	1.007276
"138896"	426.263876	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+2H"	2.014552
"579552"	638.892176	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+2H"	2.014552
"1052246"	213.635576	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2H"	2.014552
"219824"	284.511676	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+3H"	3.021828
"659828"	426.263876	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+3H"	3.021828
"1176125"	142.759476	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+3H"	3.021828
"438912"	868.547023	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+NH4"	18.033823
"797112"	1293.803623	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+NH4"	18.033823
"1695269"	443.290423	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+NH4"	18.033823
"343912"	434.7771495	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+H+NH4"	19.041099
"735967"	647.4054495	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+H+NH4"	19.041099
"1491611"	222.1488495	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H+NH4"	19.041099
"407984"	873.502418	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+Na"	22.989218
"769102"	1298.759018	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+Na"	22.989218
"1617687"	448.245818	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Na"	22.989218
"328933"	437.254847	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+H+Na"	23.996494
"721353"	649.883147	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+H+Na"	23.996494
"1474196"	224.626547	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H+Na"	23.996494
"1064162"	150.08679	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2H+Na"	25.00377
"1266932"	458.290086	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+CH3OH+H"	33.033486
"392328"	889.476358	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+K"	38.963158
"749797"	1314.732958	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+K"	38.963158
"1547473"	464.219758	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+K"	38.963158
"307931"	445.241817	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+H+K"	39.970434
"701446"	657.870117	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+H+K"	39.970434
"1451985"	232.613517	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H+K"	39.970434
"240588"	892.547026	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+ACN+H"	42.033826
"1217667"	467.290426	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+ACN+H"	42.033826
"1201557"	234.148851	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+ACN+2H"	43.041102
"195518"	895.48436	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+2Na-H"	44.97116
"632891"	1320.74096	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+2Na-H"	44.97116
"1134210"	470.22776	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2Na-H"	44.97116
"179693"	448.245818	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+2Na"	45.978436
"617063"	660.874118	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+2Na"	45.978436
"1122756"	235.617518	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2Na"	45.978436
"1406282"	157.414104	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H+2Na"	46.985712
"1438402"	472.269346	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H+HCOOH"	47.012746
"227003"	453.27884	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+3H2O+2H"	56.04448
"1520532"	486.32139	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+IsoProp+H"	61.06479
"419131"	456.232788	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+Na+K"	61.952376
"785112"	668.861088	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+Na+K"	61.952376
"1674270"	243.604488	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Na+K"	61.952376
"265166"	914.528968	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+ACN+Na"	64.015768
"1236780"	489.272368	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+ACN+Na"	64.015768
"1724578"	489.295893	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+NH4+HCOOH"	64.039293
"1190662"	164.741418	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+3Na"	68.967654
"1661285"	494.251288	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Na+HCOOH"	68.994688
"166688"	927.43224	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+2K-H"	76.91904
"605156"	1352.68884	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+2K-H"	76.91904
"1086751"	502.17564	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2K-H"	76.91904
"149767"	464.219758	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"2M+2K"	77.926316
"590419"	676.848058	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"3M+2K"	77.926316
"1071651"	251.591458	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2K"	77.926316
"1101580"	504.190192	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2K+H"	78.933592
"1340151"	504.277807	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+DMSO+H"	79.021207
"1010866"	508.316976	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2ACN+H"	83.060376
"1525710"	509.310608	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+IsoProp+Na+H"	84.054008
"995438"	254.662126	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+2ACN+2H"	84.067652
"1591034"	510.225228	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+K+HCOOH"	84.968628
"1418882"	540.256738	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+H+CF3COOH"	115.000138
"1158650"	275.175401	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+3ACN+2H"	125.094202
"1700910"	557.283285	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+NH4+CF3COOH"	132.026685
"1647495"	562.23868	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+Na+CF3COOH"	136.98208
"1575491"	578.21262	"C11794"	"Diprenorphine"	"C26H35NO4"	"425.2566"	"M+K+CF3COOH"	152.95602
"815697"	299.1885	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M"	0
"976108"	280.17011	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-H2O-H"	-19.01839
"65443"	198.451724	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M-3H"	-3.021828
"509379"	298.181224	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M-3H"	-3.021828
"883901"	98.722224	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-3H"	-3.021828
"4663"	298.181224	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M-2H"	-2.014552
"450786"	447.775474	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M-2H"	-2.014552
"826408"	148.586974	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-2H"	-2.014552
"91865"	597.369724	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M-H"	-1.007276
"525957"	896.558224	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M-H"	-1.007276
"909714"	298.181224	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-H"	-1.007276
"60323"	614.396271	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M-2H+NH4"	16.019271
"497699"	913.584771	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M-2H+NH4"	16.019271
"877686"	315.207771	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-2H+NH4"	16.019271
"45223"	619.351666	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M-2H+Na"	20.974666
"471985"	918.540166	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M-2H+Na"	20.974666
"852019"	320.163166	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-2H+Na"	20.974666
"1625926"	320.163166	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Na-2H"	20.974666
"102455"	316.169563	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M-H+Cl"	33.962126
"545296"	465.763813	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M-H+Cl"	33.962126
"938812"	166.575313	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-H+Cl"	33.962126
"278460"	633.346402	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+Cl"	34.969402
"667602"	932.534902	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+Cl"	34.969402
"1277817"	334.157902	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Cl"	34.969402
"18190"	635.325606	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M-2H+K"	36.948606
"468327"	934.514106	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M-2H+K"	36.948606
"847955"	336.137106	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-2H+K"	36.948606
"1570351"	336.137106	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+K-2H"	36.948606
"956047"	344.186694	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-H+HCOOH"	44.998194
"374265"	643.375201	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+HCOOH-H"	44.998201
"359606"	657.390851	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+Hac-H"	59.013851
"1501149"	358.202351	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Hac-H"	59.013851
"964317"	366.168651	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-H+NaCOOH"	66.980151
"112131"	334.157902	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+2Cl"	69.938804
"550022"	483.752152	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+2Cl"	69.938804
"1023039"	184.563652	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2Cl"	69.938804
"1243715"	378.107385	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Br"	78.918885
"1309080"	380.163372	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Cl+HCOOH"	80.974872
"1322929"	402.145329	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Cl+NaCOOH"	102.956829
"914354"	412.174086	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M-H+CF3COOH"	112.985586
"1294343"	448.150764	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Cl+CF3COOH"	148.962264
"1373598"	264.175824	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H-2H2O"	-35.012676
"1393279"	282.1858	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H-H2O"	-17.0027
"290779"	599.384276	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+H"	1.007276
"681015"	898.572776	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+H"	1.007276
"1361739"	300.195776	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H"	1.007276
"139005"	300.195776	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+2H"	2.014552
"581234"	449.790026	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+2H"	2.014552
"1052605"	150.601526	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2H"	2.014552
"219282"	200.466276	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+3H"	3.021828
"659843"	300.195776	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+3H"	3.021828
"1176234"	100.736776	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+3H"	3.021828
"439863"	616.410823	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+NH4"	18.033823
"799410"	915.599323	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+NH4"	18.033823
"1696757"	317.222323	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+NH4"	18.033823
"345244"	308.7090495	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+H+NH4"	19.041099
"737534"	458.3032995	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+H+NH4"	19.041099
"1492451"	159.1147995	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H+NH4"	19.041099
"408475"	621.366218	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+Na"	22.989218
"769929"	920.554718	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+Na"	22.989218
"1617669"	322.177718	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Na"	22.989218
"326973"	311.186747	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+H+Na"	23.996494
"719393"	460.780997	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+H+Na"	23.996494
"1473212"	161.592497	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H+Na"	23.996494
"1063178"	108.06409	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2H+Na"	25.00377
"1268135"	332.221986	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+CH3OH+H"	33.033486
"392560"	637.340158	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+K"	38.963158
"747715"	936.528658	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+K"	38.963158
"1544301"	338.151658	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+K"	38.963158
"308038"	319.173717	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+H+K"	39.970434
"701555"	468.767967	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+H+K"	39.970434
"1449906"	169.579467	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H+K"	39.970434
"238870"	640.410826	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+ACN+H"	42.033826
"1211944"	341.222326	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+ACN+H"	42.033826
"1199480"	171.114801	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+ACN+2H"	43.041102
"195628"	643.34816	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+2Na-H"	44.97116
"630814"	942.53666	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+2Na-H"	44.97116
"1136507"	344.15966	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2Na-H"	44.97116
"181989"	322.177718	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+2Na"	45.978436
"617173"	471.771968	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+2Na"	45.978436
"1121773"	172.583468	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2Na"	45.978436
"1404205"	115.391404	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H+2Na"	46.985712
"1438512"	346.201246	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H+HCOOH"	47.012746
"227113"	327.21074	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+3H2O+2H"	56.04448
"1517362"	360.25329	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+IsoProp+H"	61.06479
"417055"	330.164688	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+Na+K"	61.952376
"781331"	479.758938	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+Na+K"	61.952376
"1673287"	180.570438	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Na+K"	61.952376
"260902"	662.392768	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+ACN+Na"	64.015768
"1236890"	363.204268	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+ACN+Na"	64.015768
"1724688"	363.227793	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+NH4+HCOOH"	64.039293
"1191137"	122.718718	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+3Na"	68.967654
"1659935"	368.183188	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Na+HCOOH"	68.994688
"165705"	675.29604	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+2K-H"	76.91904
"605266"	974.48454	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+2K-H"	76.91904
"1086496"	376.10754	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2K-H"	76.91904
"146596"	338.151658	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"2M+2K"	77.926316
"587250"	487.745908	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"3M+2K"	77.926316
"1069208"	188.557408	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2K"	77.926316
"1100957"	378.122092	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2K+H"	78.933592
"1339165"	378.209707	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+DMSO+H"	79.021207
"1006477"	382.248876	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2ACN+H"	83.060376
"1525940"	383.242508	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+IsoProp+Na+H"	84.054008
"995548"	191.628076	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+2ACN+2H"	84.067652
"1587254"	384.157128	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+K+HCOOH"	84.968628
"1418992"	414.188638	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+H+CF3COOH"	115.000138
"1159124"	212.141351	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+3ACN+2H"	125.094202
"1701020"	431.215185	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+NH4+CF3COOH"	132.026685
"1644325"	436.17058	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+Na+CF3COOH"	136.98208
"1575601"	452.14452	"C11795"	"Ethylketocyclazocine;EKC"	"C19H25NO2"	"299.1885"	"M+K+CF3COOH"	152.95602
"809247"	368.1422	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M"	0
"975852"	349.12381	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-H2O-H"	-19.01839
"63399"	244.420857333333	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M-3H"	-3.021828
"509489"	367.134924	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M-3H"	-3.021828
"881824"	121.706790666667	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-3H"	-3.021828
"4773"	367.134924	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M-2H"	-2.014552
"450896"	551.206024	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M-2H"	-2.014552
"828707"	183.063824	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-2H"	-2.014552
"91978"	735.277124	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M-H"	-1.007276
"531535"	1103.419324	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M-H"	-1.007276
"910309"	367.134924	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-H"	-1.007276
"59343"	752.303671	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M-2H+NH4"	16.019271
"494531"	1120.445871	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M-2H+NH4"	16.019271
"872332"	384.161471	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-2H+NH4"	16.019271
"33672"	757.259066	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M-2H+Na"	20.974666
"473597"	1125.401266	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M-2H+Na"	20.974666
"850305"	389.116866	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-2H+Na"	20.974666
"1624944"	389.116866	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Na-2H"	20.974666
"103663"	385.123263	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M-H+Cl"	33.962126
"542129"	569.194363	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M-H+Cl"	33.962126
"936736"	201.052163	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-H+Cl"	33.962126
"276383"	771.253802	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+Cl"	34.969402
"666619"	1139.396002	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+Cl"	34.969402
"1276834"	403.111602	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Cl"	34.969402
"18300"	773.233006	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M-2H+K"	36.948606
"469531"	1141.375206	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M-2H+K"	36.948606
"844051"	405.090806	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-2H+K"	36.948606
"1570830"	405.090806	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+K-2H"	36.948606
"956889"	413.140394	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-H+HCOOH"	44.998194
"374376"	781.282601	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+HCOOH-H"	44.998201
"358987"	795.298251	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+Hac-H"	59.013851
"1502354"	427.156051	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Hac-H"	59.013851
"959082"	435.122351	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-H+NaCOOH"	66.980151
"111022"	403.111602	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+2Cl"	69.938804
"550584"	587.182702	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+2Cl"	69.938804
"1021690"	219.040502	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2Cl"	69.938804
"1241880"	447.061085	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Br"	78.918885
"1309192"	449.117072	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Cl+HCOOH"	80.974872
"1321220"	471.099029	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Cl+NaCOOH"	102.956829
"913005"	481.127786	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M-H+CF3COOH"	112.985586
"1294455"	517.104464	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Cl+CF3COOH"	148.962264
"1372615"	333.129524	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H-2H2O"	-35.012676
"1386831"	351.1395	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H-H2O"	-17.0027
"290891"	737.291676	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+H"	1.007276
"690607"	1105.433876	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+H"	1.007276
"1366513"	369.149476	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H"	1.007276
"141309"	369.149476	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+2H"	2.014552
"579773"	553.220576	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+2H"	2.014552
"1052667"	185.078376	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2H"	2.014552
"218297"	246.435409333333	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+3H"	3.021828
"659479"	369.149476	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+3H"	3.021828
"1171972"	123.721342666667	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+3H"	3.021828
"437432"	754.318223	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+NH4"	18.033823
"799399"	1122.460423	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+NH4"	18.033823
"1693665"	386.176023	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+NH4"	18.033823
"344131"	377.6627495	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+H+NH4"	19.041099
"737643"	561.7338495	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+H+NH4"	19.041099
"1491100"	193.5916495	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H+NH4"	19.041099
"407595"	759.273618	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+Na"	22.989218
"769904"	1127.415818	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+Na"	22.989218
"1618363"	391.131418	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Na"	22.989218
"329844"	380.140447	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+H+Na"	23.996494
"720477"	564.211547	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+H+Na"	23.996494
"1474418"	196.069347	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H+Na"	23.996494
"1064382"	131.048656666667	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2H+Na"	25.00377
"1268248"	401.175686	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+CH3OH+H"	33.033486
"389022"	775.247558	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+K"	38.963158
"744547"	1143.389758	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+K"	38.963158
"1543319"	407.105358	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+K"	38.963158
"300860"	388.127417	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+H+K"	39.970434
"695102"	572.198517	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+H+K"	39.970434
"1448925"	204.056317	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H+K"	39.970434
"238982"	778.318226	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+ACN+H"	42.033826
"1212418"	410.176026	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+ACN+H"	42.033826
"1198498"	205.591651	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+ACN+2H"	43.041102
"193552"	781.25556	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+2Na-H"	44.97116
"636392"	1149.39776	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+2Na-H"	44.97116
"1134430"	413.11336	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2Na-H"	44.97116
"178820"	391.131418	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+2Na"	45.978436
"619840"	575.202518	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+2Na"	45.978436
"1121886"	207.060318	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2Na"	45.978436
"1402492"	138.375970666667	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H+2Na"	46.985712
"1436435"	415.154946	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H+HCOOH"	47.012746
"230506"	396.16444	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+3H2O+2H"	56.04448
"1519661"	429.20699	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+IsoProp+H"	61.06479
"418257"	399.118388	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+Na+K"	61.952376
"782537"	583.189488	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+Na+K"	61.952376
"1679960"	215.047288	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Na+K"	61.952376
"266119"	800.300168	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+ACN+Na"	64.015768
"1240165"	432.157968	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+ACN+Na"	64.015768
"1724437"	432.181493	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+NH4+HCOOH"	64.039293
"1189791"	145.703284666667	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+3Na"	68.967654
"1660048"	437.136888	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Na+HCOOH"	68.994688
"165816"	813.20344	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+2K-H"	76.91904
"601002"	1181.34564	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+2K-H"	76.91904
"1084537"	445.06124	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2K-H"	76.91904
"146706"	407.105358	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"2M+2K"	77.926316
"585174"	591.176458	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"3M+2K"	77.926316
"1068954"	223.034258	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2K"	77.926316
"1101800"	447.075792	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2K+H"	78.933592
"1340370"	447.163407	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+DMSO+H"	79.021207
"1006586"	451.202576	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2ACN+H"	83.060376
"1530305"	452.196208	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+IsoProp+Na+H"	84.054008
"995658"	226.104926	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+2ACN+2H"	84.067652
"1589065"	453.110828	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+K+HCOOH"	84.968628
"1419102"	483.142338	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+H+CF3COOH"	115.000138
"1161057"	246.618201	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+3ACN+2H"	125.094202
"1701130"	500.168885	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+NH4+CF3COOH"	132.026685
"1644435"	505.12428	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+Na+CF3COOH"	136.98208
"1575711"	521.09822	"C11796"	"U50488;trans-34-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexyl-benzeneacetamide"	"C19H26Cl2N2O"	"368.1422"	"M+K+CF3COOH"	152.95602
"809357"	393.1311	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M"	0
"975234"	374.11271	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-H2O-H"	-19.01839
"62901"	261.080124	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M-3H"	-3.021828
"502989"	392.123824	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M-3H"	-3.021828
"884119"	130.036424	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-3H"	-3.021828
"4883"	392.123824	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M-2H"	-2.014552
"448820"	588.689374	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M-2H"	-2.014552
"828816"	195.558274	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-2H"	-2.014552
"91727"	785.254924	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M-H"	-1.007276
"532738"	1178.386024	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M-H"	-1.007276
"909447"	392.123824	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-H"	-1.007276
"59453"	802.281471	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M-2H+NH4"	16.019271
"496828"	1195.412571	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M-2H+NH4"	16.019271
"874629"	409.150371	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-2H+NH4"	16.019271
"40343"	807.236866	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M-2H+Na"	20.974666
"473464"	1200.367966	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M-2H+Na"	20.974666
"851145"	414.105766	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-2H+Na"	20.974666
"1625054"	414.105766	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Na-2H"	20.974666
"103772"	410.112163	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M-H+Cl"	33.962126
"545155"	606.677713	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M-H+Cl"	33.962126
"934660"	213.546613	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-H+Cl"	33.962126
"276493"	821.231602	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+Cl"	34.969402
"667823"	1214.362702	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+Cl"	34.969402
"1275850"	428.100502	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Cl"	34.969402
"18045"	823.210806	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M-2H+K"	36.948606
"460526"	1216.341906	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M-2H+K"	36.948606
"843432"	430.079706	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-2H+K"	36.948606
"1571228"	430.079706	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+K-2H"	36.948606
"955906"	438.129294	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-H+HCOOH"	44.998194
"374850"	831.260401	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+HCOOH-H"	44.998201
"359704"	845.276051	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+Hac-H"	59.013851
"1504288"	452.144951	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Hac-H"	59.013851
"960286"	460.111251	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-H+NaCOOH"	66.980151
"112352"	428.100502	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+2Cl"	69.938804
"550940"	624.666052	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+2Cl"	69.938804
"1023021"	231.534952	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2Cl"	69.938804
"1245759"	472.049985	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Br"	78.918885
"1309302"	474.105972	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Cl+HCOOH"	80.974872
"1323517"	496.087929	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Cl+NaCOOH"	102.956829
"916761"	506.116686	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M-H+CF3COOH"	112.985586
"1294565"	542.093364	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Cl+CF3COOH"	148.962264
"1370539"	358.118424	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H-2H2O"	-35.012676
"1386941"	376.1284	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H-H2O"	-17.0027
"289908"	787.269476	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+H"	1.007276
"690840"	1180.400576	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+H"	1.007276
"1366461"	394.138376	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H"	1.007276
"141257"	394.138376	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+2H"	2.014552
"580939"	590.703926	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+2H"	2.014552
"1052170"	197.572826	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2H"	2.014552
"218771"	263.094676	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+3H"	3.021828
"659349"	394.138376	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+3H"	3.021828
"1174270"	132.050976	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+3H"	3.021828
"438880"	804.296023	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+NH4"	18.033823
"799997"	1197.427123	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+NH4"	18.033823
"1694504"	411.164923	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+NH4"	18.033823
"345626"	402.6516495	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+H+NH4"	19.041099
"738288"	599.2171995	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+H+NH4"	19.041099
"1492386"	206.0860995	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H+NH4"	19.041099
"408400"	809.251418	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+Na"	22.989218
"769676"	1202.382518	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+Na"	22.989218
"1618219"	416.120318	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Na"	22.989218
"329831"	405.129347	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+H+Na"	23.996494
"721559"	601.694897	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+H+Na"	23.996494
"1471248"	208.563797	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H+Na"	23.996494
"1064492"	139.37829	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2H+Na"	25.00377
"1269452"	426.164586	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+CH3OH+H"	33.033486
"390590"	825.225358	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+K"	38.963158
"746847"	1218.356458	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+K"	38.963158
"1547804"	432.094258	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+K"	38.963158
"304980"	413.116317	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+H+K"	39.970434
"697401"	609.681867	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+H+K"	39.970434
"1450129"	216.550767	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H+K"	39.970434
"239823"	828.296026	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+ACN+H"	42.033826
"1217999"	435.164926	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+ACN+H"	42.033826
"1198608"	218.086101	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+ACN+2H"	43.041102
"194756"	831.23336	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+2Na-H"	44.97116
"636502"	1224.36446	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+2Na-H"	44.97116
"1135633"	438.10226	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2Na-H"	44.97116
"182210"	416.120318	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+2Na"	45.978436
"625053"	612.685868	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+2Na"	45.978436
"1123089"	219.554768	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2Na"	45.978436
"1403695"	146.705604	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H+2Na"	46.985712
"1438732"	440.143846	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H+HCOOH"	47.012746
"230615"	421.15334	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+3H2O+2H"	56.04448
"1518677"	454.19589	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+IsoProp+H"	61.06479
"418362"	424.107288	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+Na+K"	61.952376
"781545"	620.672838	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+Na+K"	61.952376
"1673505"	227.541738	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Na+K"	61.952376
"263305"	850.277968	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+ACN+Na"	64.015768
"1240394"	457.146868	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+ACN+Na"	64.015768
"1727458"	457.170393	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+NH4+HCOOH"	64.039293
"1192447"	154.032918	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+3Na"	68.967654
"1662339"	462.125788	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Na+HCOOH"	68.994688
"167749"	863.18124	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+2K-H"	76.91904
"607670"	1256.31234	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+2K-H"	76.91904
"1092185"	470.05014	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2K-H"	76.91904
"150092"	432.094258	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"2M+2K"	77.926316
"589651"	628.659808	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"3M+2K"	77.926316
"1069428"	235.528708	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2K"	77.926316
"1101180"	472.064692	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2K+H"	78.933592
"1341573"	472.152307	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+DMSO+H"	79.021207
"1007914"	476.191476	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2ACN+H"	83.060376
"1532602"	477.185108	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+IsoProp+Na+H"	84.054008
"995769"	238.599376	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+2ACN+2H"	84.067652
"1588323"	478.099728	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+K+HCOOH"	84.968628
"1421399"	508.131238	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+H+CF3COOH"	115.000138
"1161532"	259.112651	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+3ACN+2H"	125.094202
"1701240"	525.157785	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+NH4+CF3COOH"	132.026685
"1644545"	530.11318	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+Na+CF3COOH"	136.98208
"1575821"	546.08712	"C11797"	"Tifluadom"	"C22H20FN3OS"	"393.1311"	"M+K+CF3COOH"	152.95602
"809467"	285.1841	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M"	0
"975344"	266.16571	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-H2O-H"	-19.01839
"63095"	189.115457333333	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M-3H"	-3.021828
"503169"	284.176824	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M-3H"	-3.021828
"882042"	94.0540906666667	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-3H"	-3.021828
"4993"	284.176824	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M-2H"	-2.014552
"448929"	426.768874	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M-2H"	-2.014552
"826378"	141.584774	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-2H"	-2.014552
"88916"	569.360924	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M-H"	-1.007276
"529568"	854.545024	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M-H"	-1.007276
"908464"	284.176824	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-H"	-1.007276
"58470"	586.387471	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M-2H+NH4"	16.019271
"489282"	871.571571	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M-2H+NH4"	16.019271
"872551"	301.203371	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-2H+NH4"	16.019271
"31946"	591.342866	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M-2H+Na"	20.974666
"473454"	876.526966	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M-2H+Na"	20.974666
"850525"	306.158766	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-2H+Na"	20.974666
"1621884"	306.158766	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Na-2H"	20.974666
"101696"	302.165163	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M-H+Cl"	33.962126
"539067"	444.757213	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M-H+Cl"	33.962126
"934768"	159.573113	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-H+Cl"	33.962126
"273323"	605.337602	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+Cl"	34.969402
"663923"	890.521702	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+Cl"	34.969402
"1275960"	320.153502	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Cl"	34.969402
"17062"	607.316806	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M-2H+K"	36.948606
"462458"	892.500906	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M-2H+K"	36.948606
"840262"	322.132706	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-2H+K"	36.948606
"1570314"	322.132706	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+K-2H"	36.948606
"957832"	330.182294	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-H+HCOOH"	44.998194
"374225"	615.366401	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+HCOOH-H"	44.998201
"358109"	629.382051	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+Hac-H"	59.013851
"1504762"	344.197951	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Hac-H"	59.013851
"965742"	352.164251	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-H+NaCOOH"	66.980151
"115742"	320.153502	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+2Cl"	69.938804
"550928"	462.745552	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+2Cl"	69.938804
"1024103"	177.561452	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2Cl"	69.938804
"1242588"	364.102985	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Br"	78.918885
"1312692"	366.158972	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Cl+HCOOH"	80.974872
"1321804"	388.140929	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Cl+NaCOOH"	102.956829
"920152"	398.169686	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M-H+CF3COOH"	112.985586
"1297956"	434.146364	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Cl+CF3COOH"	148.962264
"1373930"	250.171424	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H-2H2O"	-35.012676
"1387051"	268.1814	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H-H2O"	-17.0027
"296579"	571.375476	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+H"	1.007276
"691180"	856.559576	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+H"	1.007276
"1366981"	286.191376	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H"	1.007276
"141364"	286.191376	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+2H"	2.014552
"581088"	428.783426	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+2H"	2.014552
"1052440"	143.599326	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2H"	2.014552
"215599"	191.130009333333	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+3H"	3.021828
"659533"	286.191376	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+3H"	3.021828
"1175472"	96.0686426666667	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+3H"	3.021828
"439110"	588.402023	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+NH4"	18.033823
"801079"	873.586123	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+NH4"	18.033823
"1696681"	303.217923	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+NH4"	18.033823
"345454"	294.7046495	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+H+NH4"	19.041099
"738496"	437.2966995	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+H+NH4"	19.041099
"1491319"	152.1125995	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H+NH4"	19.041099
"408469"	593.357418	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+Na"	22.989218
"769796"	878.541518	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+Na"	22.989218
"1618177"	308.173318	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Na"	22.989218
"329739"	297.182347	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+H+Na"	23.996494
"720575"	439.774397	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+H+Na"	23.996494
"1472451"	154.590297	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H+Na"	23.996494
"1064602"	103.395956666667	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2H+Na"	25.00377
"1270534"	318.217586	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+CH3OH+H"	33.033486
"391427"	609.331358	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+K"	38.963158
"748047"	894.515458	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+K"	38.963158
"1549007"	324.147258	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+K"	38.963158
"301811"	305.169317	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+H+K"	39.970434
"696419"	447.761367	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+H+K"	39.970434
"1450239"	162.577267	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H+K"	39.970434
"239935"	612.402026	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+ACN+H"	42.033826
"1217016"	327.217926	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+ACN+H"	42.033826
"1195432"	164.112601	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+ACN+2H"	43.041102
"193773"	615.33936	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+2Na-H"	44.97116
"633333"	900.52346	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+2Na-H"	44.97116
"1133557"	330.15526	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2Na-H"	44.97116
"183416"	308.173318	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+2Na"	45.978436
"621883"	450.765368	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+2Na"	45.978436
"1121011"	165.581268	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2Na"	45.978436
"1403805"	110.723270666667	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H+2Na"	46.985712
"1435559"	332.196846	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H+HCOOH"	47.012746
"226346"	313.20634	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+3H2O+2H"	56.04448
"1519881"	346.24889	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+IsoProp+H"	61.06479
"416286"	316.160288	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+Na+K"	61.952376
"778375"	458.752338	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+Na+K"	61.952376
"1671427"	173.568238	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Na+K"	61.952376
"263780"	634.383968	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+ACN+Na"	64.015768
"1235033"	349.199868	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+ACN+Na"	64.015768
"1728135"	349.223393	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+NH4+HCOOH"	64.039293
"1193650"	118.050584666667	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+3Na"	68.967654
"1662449"	354.178788	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Na+HCOOH"	68.994688
"168223"	647.28724	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+2K-H"	76.91904
"610332"	932.47134	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+2K-H"	76.91904
"1095575"	362.10314	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2K-H"	76.91904
"150202"	324.147258	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"2M+2K"	77.926316
"588668"	466.739308	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"3M+2K"	77.926316
"1072092"	181.555208	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2K"	77.926316
"1104207"	364.117692	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2K+H"	78.933592
"1340590"	364.205307	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+DMSO+H"	79.021207
"1009118"	368.244476	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2ACN+H"	83.060376
"1533805"	369.238108	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+IsoProp+Na+H"	84.054008
"992596"	184.625876	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+2ACN+2H"	84.067652
"1588676"	370.152728	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+K+HCOOH"	84.968628
"1419323"	400.184238	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+H+CF3COOH"	115.000138
"1161521"	205.139151	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+3ACN+2H"	125.094202
"1701350"	417.210785	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+NH4+CF3COOH"	132.026685
"1644655"	422.16618	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+Na+CF3COOH"	136.98208
"1575931"	438.14012	"C11798"	"Mepyramine;Pyrilamine"	"C17H23N3O"	"285.1841"	"M+K+CF3COOH"	152.95602
"809577"	198.0939	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M"	0
"975454"	179.07551	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-H2O-H"	-19.01839
"63565"	131.055324	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M-3H"	-3.021828
"503736"	197.086624	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M-3H"	-3.021828
"881050"	65.024024	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-3H"	-3.021828
"1817"	197.086624	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M-2H"	-2.014552
"442101"	296.133574	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M-2H"	-2.014552
"829034"	98.039674	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-2H"	-2.014552
"89756"	395.180524	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M-H"	-1.007276
"528585"	593.274424	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M-H"	-1.007276
"907481"	197.086624	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-H"	-1.007276
"55300"	412.207071	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M-2H+NH4"	16.019271
"488299"	610.300971	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M-2H+NH4"	16.019271
"873753"	214.113171	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-2H+NH4"	16.019271
"35094"	417.162466	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M-2H+Na"	20.974666
"472471"	615.256366	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M-2H+Na"	20.974666
"848932"	219.068566	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-2H+Na"	20.974666
"1621994"	219.068566	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Na-2H"	20.974666
"99615"	215.074963	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M-H+Cl"	33.962126
"538084"	314.121913	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M-H+Cl"	33.962126
"933056"	116.028013	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-H+Cl"	33.962126
"274526"	431.157202	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+Cl"	34.969402
"662088"	629.251102	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+Cl"	34.969402
"1276070"	233.063302	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Cl"	34.969402
"19359"	433.136406	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M-2H+K"	36.948606
"461837"	631.230306	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M-2H+K"	36.948606
"837451"	235.042506	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-2H+K"	36.948606
"1569331"	235.042506	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+K-2H"	36.948606
"956120"	243.092094	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-H+HCOOH"	44.998194
"368867"	441.186001	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+HCOOH-H"	44.998201
"354940"	455.201651	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+Hac-H"	59.013851
"1504508"	257.107751	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Hac-H"	59.013851
"970226"	265.074051	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-H+NaCOOH"	66.980151
"114759"	233.063302	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+2Cl"	69.938804
"550350"	332.110252	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+2Cl"	69.938804
"1023120"	134.016352	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2Cl"	69.938804
"1242698"	277.012785	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Br"	78.918885
"1312802"	279.068772	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Cl+HCOOH"	80.974872
"1321550"	301.050729	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Cl+NaCOOH"	102.956829
"918075"	311.079486	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M-H+CF3COOH"	112.985586
"1298066"	347.056164	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Cl+CF3COOH"	148.962264
"1377320"	163.081224	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H-2H2O"	-35.012676
"1387161"	181.0912	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H-H2O"	-17.0027
"294503"	397.195076	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+H"	1.007276
"690899"	595.288976	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+H"	1.007276
"1366682"	199.101176	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H"	1.007276
"141153"	199.101176	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+2H"	2.014552
"577914"	298.148126	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+2H"	2.014552
"1052621"	100.054226	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2H"	2.014552
"218628"	133.069876	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+3H"	3.021828
"658186"	199.101176	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+3H"	3.021828
"1176311"	67.038576	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+3H"	3.021828
"436668"	414.221623	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+NH4"	18.033823
"800582"	612.315523	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+NH4"	18.033823
"1696671"	216.127723	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+NH4"	18.033823
"344824"	207.6144495	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+H+NH4"	19.041099
"737247"	306.6613995	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+H+NH4"	19.041099
"1491429"	108.5674995	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H+NH4"	19.041099
"408049"	419.177018	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+Na"	22.989218
"769166"	617.270918	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+Na"	22.989218
"1617873"	221.083118	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Na"	22.989218
"329363"	210.092147	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+H+Na"	23.996494
"719835"	309.139097	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+H+Na"	23.996494
"1472561"	111.045197	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H+Na"	23.996494
"1064712"	74.36589	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2H+Na"	25.00377
"1270765"	231.127386	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+CH3OH+H"	33.033486
"387165"	435.150958	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+K"	38.963158
"747064"	633.244858	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+K"	38.963158
"1544745"	237.057058	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+K"	38.963158
"299735"	218.079117	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+H+K"	39.970434
"695436"	317.126067	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+H+K"	39.970434
"1446340"	119.032167	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H+K"	39.970434
"236278"	438.221626	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+ACN+H"	42.033826
"1216034"	240.127726	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+ACN+H"	42.033826
"1194935"	120.567501	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+ACN+2H"	43.041102
"192425"	441.15896	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+2Na-H"	44.97116
"631985"	639.25286	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+2Na-H"	44.97116
"1133667"	243.06506	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2Na-H"	44.97116
"183526"	221.083118	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+2Na"	45.978436
"621993"	320.130068	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+2Na"	45.978436
"1119299"	122.036168	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2Na"	45.978436
"1399051"	81.693204	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H+2Na"	46.985712
"1437858"	245.106646	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H+HCOOH"	47.012746
"229738"	226.11614	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+3H2O+2H"	56.04448
"1516711"	259.15869	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+IsoProp+H"	61.06479
"419676"	229.070088	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+Na+K"	61.952376
"781765"	328.117038	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+Na+K"	61.952376
"1675910"	130.023138	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Na+K"	61.952376
"264618"	460.203568	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+ACN+Na"	64.015768
"1236232"	262.109668	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+ACN+Na"	64.015768
"1728041"	262.133193	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+NH4+HCOOH"	64.039293
"1191574"	89.020518	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+3Na"	68.967654
"1662559"	267.088588	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Na+HCOOH"	68.994688
"165052"	473.10684	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+2K-H"	76.91904
"604610"	671.20074	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+2K-H"	76.91904
"1089124"	275.01294	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2K-H"	76.91904
"150312"	237.057058	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"2M+2K"	77.926316
"590964"	336.104008	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"3M+2K"	77.926316
"1075479"	138.010108	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2K"	77.926316
"1106500"	277.027492	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2K+H"	78.933592
"1342883"	277.115107	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+DMSO+H"	79.021207
"1012507"	281.154276	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2ACN+H"	83.060376
"1531725"	282.147908	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+IsoProp+Na+H"	84.054008
"994891"	141.080776	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+2ACN+2H"	84.067652
"1595956"	283.062528	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+K+HCOOH"	84.968628
"1419433"	313.094038	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+H+CF3COOH"	115.000138
"1161752"	161.594051	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+3ACN+2H"	125.094202
"1703647"	330.120585	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+NH4+CF3COOH"	132.026685
"1644765"	335.07598	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+Na+CF3COOH"	136.98208
"1576041"	351.04992	"C11799"	"SKF 91581"	"C8H14N4S"	"198.0939"	"M+K+CF3COOH"	152.95602
"809687"	230.066	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M"	0
"975928"	211.04761	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-H2O-H"	-19.01839
"65262"	152.370057333333	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M-3H"	-3.021828
"503850"	229.058724	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M-3H"	-3.021828
"880922"	75.6813906666667	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-3H"	-3.021828
"1928"	229.058724	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M-2H"	-2.014552
"441119"	344.091724	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M-2H"	-2.014552
"829144"	114.025724	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-2H"	-2.014552
"89137"	459.124724	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M-H"	-1.007276
"528695"	689.190724	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M-H"	-1.007276
"906499"	229.058724	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-H"	-1.007276
"58325"	476.151271	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M-2H+NH4"	16.019271
"496064"	706.217271	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M-2H+NH4"	16.019271
"873863"	246.085271	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-2H+NH4"	16.019271
"41764"	481.106666	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M-2H+Na"	20.974666
"473674"	711.172666	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M-2H+Na"	20.974666
"849163"	251.040666	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-2H+Na"	20.974666
"1622104"	251.040666	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Na-2H"	20.974666
"99725"	247.047063	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M-H+Cl"	33.962126
"538194"	362.080063	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M-H+Cl"	33.962126
"933895"	132.014063	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-H+Cl"	33.962126
"273543"	495.101402	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+Cl"	34.969402
"663049"	725.167402	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+Cl"	34.969402
"1276180"	265.035402	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Cl"	34.969402
"21291"	497.080606	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M-2H+K"	36.948606
"462676"	727.146606	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M-2H+K"	36.948606
"839383"	267.014606	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-2H+K"	36.948606
"1563969"	267.014606	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+K-2H"	36.948606
"948204"	275.064194	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-H+HCOOH"	44.998194
"367512"	505.130201	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+HCOOH-H"	44.998201
"351771"	519.145851	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+Hac-H"	59.013851
"1506804"	289.079851	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Hac-H"	59.013851
"971430"	297.046151	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-H+NaCOOH"	66.980151
"118149"	265.035402	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+2Cl"	69.938804
"551877"	380.068402	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+2Cl"	69.938804
"1024323"	150.002402	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2Cl"	69.938804
"1244266"	308.984885	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Br"	78.918885
"1312912"	311.040872	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Cl+HCOOH"	80.974872
"1321660"	333.022829	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Cl+NaCOOH"	102.956829
"914175"	343.051586	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M-H+CF3COOH"	112.985586
"1301456"	379.028264	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Cl+CF3COOH"	148.962264
"1375243"	195.053324	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H-2H2O"	-35.012676
"1386176"	213.0633	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H-H2O"	-17.0027
"296678"	461.139276	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+H"	1.007276
"690683"	691.205276	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+H"	1.007276
"1365574"	231.073276	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H"	1.007276
"140775"	231.073276	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+2H"	2.014552
"581147"	346.106276	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+2H"	2.014552
"1052414"	116.040276	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2H"	2.014552
"219346"	154.384609333333	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+3H"	3.021828
"659271"	231.073276	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+3H"	3.021828
"1178083"	77.6959426666667	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+3H"	3.021828
"439694"	478.165823	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+NH4"	18.033823
"799958"	708.231823	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+NH4"	18.033823
"1696540"	248.099823	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+NH4"	18.033823
"344934"	239.5865495	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+H+NH4"	19.041099
"736625"	354.6195495	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+H+NH4"	19.041099
"1492152"	124.5535495	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H+NH4"	19.041099
"407876"	483.121218	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+Na"	22.989218
"769398"	713.187218	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+Na"	22.989218
"1617859"	253.055218	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Na"	22.989218
"329478"	242.064247	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+H+Na"	23.996494
"721976"	357.097247	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+H+Na"	23.996494
"1475955"	127.031247	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H+Na"	23.996494
"1067010"	85.0232566666667	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2H+Na"	25.00377
"1271968"	263.099486	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+CH3OH+H"	33.033486
"387276"	499.095158	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+K"	38.963158
"746081"	729.161158	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+K"	38.963158
"1543762"	269.029158	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+K"	38.963158
"300939"	250.051217	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+H+K"	39.970434
"697733"	365.084217	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+H+K"	39.970434
"1448275"	135.018217	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H+K"	39.970434
"235900"	502.165826	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+ACN+H"	42.033826
"1217238"	272.099826	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+ACN+H"	42.033826
"1197477"	136.553551	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+ACN+2H"	43.041102
"191806"	505.10316	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+2Na-H"	44.97116
"632095"	735.16916	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+2Na-H"	44.97116
"1137058"	275.03716	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2Na-H"	44.97116
"184729"	253.055218	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+2Na"	45.978436
"621010"	368.088218	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+2Na"	45.978436
"1118680"	138.022218	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2Na"	45.978436
"1399771"	92.3505706666667	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H+2Na"	46.985712
"1436875"	277.078746	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H+HCOOH"	47.012746
"224382"	258.08824	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+3H2O+2H"	56.04448
"1513534"	291.13079	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+IsoProp+H"	61.06479
"424204"	261.042188	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+Na+K"	61.952376
"785539"	376.075188	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+Na+K"	61.952376
"1680394"	146.009188	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Na+K"	61.952376
"266756"	524.147768	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+ACN+Na"	64.015768
"1240355"	294.081768	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+ACN+Na"	64.015768
"1725602"	294.105293	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+NH4+HCOOH"	64.039293
"1188770"	99.6778846666667	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+3Na"	68.967654
"1660849"	299.060688	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Na+HCOOH"	68.994688
"161882"	537.05104	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+2K-H"	76.91904
"601440"	767.11704	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+2K-H"	76.91904
"1085221"	306.98504	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2K-H"	76.91904
"147142"	269.029158	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"2M+2K"	77.926316
"591075"	384.062158	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"3M+2K"	77.926316
"1073402"	153.996158	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2K"	77.926316
"1104424"	308.999592	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2K+H"	78.933592
"1344087"	309.087207	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+DMSO+H"	79.021207
"1018085"	313.126376	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2ACN+H"	83.060376
"1536207"	314.120008	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+IsoProp+Na+H"	84.054008
"997187"	157.066826	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+2ACN+2H"	84.067652
"1598251"	315.034628	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+K+HCOOH"	84.968628
"1425004"	345.066138	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+H+CF3COOH"	115.000138
"1153106"	177.580101	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+3ACN+2H"	125.094202
"1700477"	362.092685	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+NH4+CF3COOH"	132.026685
"1644875"	367.04808	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+Na+CF3COOH"	136.98208
"1576151"	383.02202	"C11800"	"Thiaburimamide"	"C8H14N4S2"	"230.066"	"M+K+CF3COOH"	152.95602
"809797"	226.1252	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M"	0
"974578"	207.10681	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-H2O-H"	-19.01839
"64036"	149.742857333333	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M-3H"	-3.021828
"502875"	225.117924	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M-3H"	-3.021828
"881277"	74.3677906666667	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-3H"	-3.021828
"106"	225.117924	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M-2H"	-2.014552
"440295"	338.180524	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M-2H"	-2.014552
"829254"	112.055324	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-2H"	-2.014552
"92770"	451.243124	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M-H"	-1.007276
"528805"	677.368324	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M-H"	-1.007276
"910132"	225.117924	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-H"	-1.007276
"58798"	468.269671	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M-2H+NH4"	16.019271
"500181"	694.394871	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M-2H+NH4"	16.019271
"877982"	242.144471	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-2H+NH4"	16.019271
"31908"	473.225066	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M-2H+Na"	20.974666
"474877"	699.350266	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M-2H+Na"	20.974666
"849882"	247.099866	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-2H+Na"	20.974666
"1623307"	247.099866	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Na-2H"	20.974666
"99835"	243.106263	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M-H+Cl"	33.962126
"541583"	356.168863	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M-H+Cl"	33.962126
"934005"	130.043663	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-H+Cl"	33.962126
"274746"	487.219802	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+Cl"	34.969402
"662795"	713.345002	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+Cl"	34.969402
"1277383"	261.094602	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Cl"	34.969402
"19213"	489.199006	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M-2H+K"	36.948606
"463515"	715.324206	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M-2H+K"	36.948606
"840221"	263.073806	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-2H+K"	36.948606
"1565172"	263.073806	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+K-2H"	36.948606
"948679"	271.123394	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-H+HCOOH"	44.998194
"368715"	497.248601	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+HCOOH-H"	44.998201
"350415"	511.264251	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+Hac-H"	59.013851
"1506186"	285.139051	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Hac-H"	59.013851
"972635"	293.105351	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-H+NaCOOH"	66.980151
"116072"	261.094602	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+2Cl"	69.938804
"554542"	374.157202	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+2Cl"	69.938804
"1024435"	148.032002	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2Cl"	69.938804
"1248387"	305.044085	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Br"	78.918885
"1316669"	307.100072	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Cl+HCOOH"	80.974872
"1323958"	329.082029	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Cl+NaCOOH"	102.956829
"920484"	339.110786	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M-H+CF3COOH"	112.985586
"1302300"	375.087464	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Cl+CF3COOH"	148.962264
"1377541"	191.112524	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H-2H2O"	-35.012676
"1396862"	209.1225	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H-H2O"	-17.0027
"297882"	453.257676	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+H"	1.007276
"690795"	679.382876	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+H"	1.007276
"1364961"	227.132476	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H"	1.007276
"139309"	227.132476	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+2H"	2.014552
"580932"	340.195076	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+2H"	2.014552
"1051919"	114.069876	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2H"	2.014552
"219216"	151.757409333333	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+3H"	3.021828
"659263"	227.132476	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+3H"	3.021828
"1177867"	76.3823426666667	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+3H"	3.021828
"439077"	470.284223	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+NH4"	18.033823
"800436"	696.409423	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+NH4"	18.033823
"1696898"	244.159023	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+NH4"	18.033823
"345667"	235.6457495	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+H+NH4"	19.041099
"738201"	348.7083495	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+H+NH4"	19.041099
"1492697"	122.5831495	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H+NH4"	19.041099
"407988"	475.239618	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+Na"	22.989218
"769346"	701.364818	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+Na"	22.989218
"1618097"	249.114418	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Na"	22.989218
"329461"	238.123447	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+H+Na"	23.996494
"722489"	351.186047	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+H+Na"	23.996494
"1475701"	125.060847	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H+Na"	23.996494
"1067121"	83.7096566666667	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2H+Na"	25.00377
"1271714"	259.158686	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+CH3OH+H"	33.033486
"391393"	491.213558	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+K"	38.963158
"747285"	717.338758	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+K"	38.963158
"1548245"	265.088358	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+K"	38.963158
"302141"	246.110417	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+H+K"	39.970434
"703309"	359.173017	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+H+K"	39.970434
"1450570"	133.047817	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H+K"	39.970434
"243545"	494.284226	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+ACN+H"	42.033826
"1219533"	268.159026	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+ACN+H"	42.033826
"1198314"	134.583151	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+ACN+2H"	43.041102
"191550"	497.22156	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+2Na-H"	44.97116
"632933"	723.34676	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+2Na-H"	44.97116
"1136438"	271.09636	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2Na-H"	44.97116
"183746"	249.114418	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+2Na"	45.978436
"620389"	362.177018	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+2Na"	45.978436
"1120612"	136.051818	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2Na"	45.978436
"1402676"	91.0369706666667	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H+2Na"	46.985712
"1434067"	273.137946	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H+HCOOH"	47.012746
"223760"	254.14744	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+3H2O+2H"	56.04448
"1511091"	287.18999	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+IsoProp+H"	61.06479
"424112"	257.101388	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+Na+K"	61.952376
"784984"	370.163988	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+Na+K"	61.952376
"1676131"	144.038788	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Na+K"	61.952376
"266948"	516.266168	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+ACN+Na"	64.015768
"1240466"	290.140968	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+ACN+Na"	64.015768
"1725709"	290.164493	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+NH4+HCOOH"	64.039293
"1191797"	98.3642846666667	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+3Na"	68.967654
"1662783"	295.119888	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Na+HCOOH"	68.994688
"166360"	529.16944	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+2K-H"	76.91904
"604468"	755.29464	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+2K-H"	76.91904
"1088251"	303.04424	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2K-H"	76.91904
"150533"	265.088358	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"2M+2K"	77.926316
"592281"	378.150958	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"3M+2K"	77.926316
"1076793"	152.025758	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2K"	77.926316
"1105627"	305.058792	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2K+H"	78.933592
"1344197"	305.146407	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+DMSO+H"	79.021207
"1018924"	309.185576	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2ACN+H"	83.060376
"1534131"	310.179208	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+IsoProp+Na+H"	84.054008
"997298"	155.096426	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+2ACN+2H"	84.067652
"1598361"	311.093828	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+K+HCOOH"	84.968628
"1425114"	341.125338	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+H+CF3COOH"	115.000138
"1153216"	175.609701	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+3ACN+2H"	125.094202
"1701680"	358.151885	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+NH4+CF3COOH"	132.026685
"1644985"	363.10728	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+Na+CF3COOH"	136.98208
"1576261"	379.08122	"C11801"	"4-Methylburimamide"	"C10H18N4S"	"226.1252"	"M+K+CF3COOH"	152.95602
"809907"	214.0888	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M"	0
"974452"	195.07041	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-H2O-H"	-19.01839
"64753"	141.718590666667	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M-3H"	-3.021828
"503042"	213.081524	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M-3H"	-3.021828
"879990"	70.3556573333333	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-3H"	-3.021828
"126"	213.081524	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M-2H"	-2.014552
"440238"	320.125924	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M-2H"	-2.014552
"829365"	106.037124	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-2H"	-2.014552
"92272"	427.170324	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M-H"	-1.007276
"528915"	641.259124	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M-H"	-1.007276
"909878"	213.081524	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-H"	-1.007276
"58907"	444.196871	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M-2H+NH4"	16.019271
"499197"	658.285671	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M-2H+NH4"	16.019271
"876270"	230.108071	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-2H+NH4"	16.019271
"42710"	449.152266	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M-2H+Na"	20.974666
"474987"	663.241066	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M-2H+Na"	20.974666
"849870"	235.063466	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-2H+Na"	20.974666
"1624510"	235.063466	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Na-2H"	20.974666
"99945"	231.069863	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M-H+Cl"	33.962126
"540600"	338.114263	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M-H+Cl"	33.962126
"937395"	124.025463	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-H+Cl"	33.962126
"273763"	463.147002	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+Cl"	34.969402
"665093"	677.235802	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+Cl"	34.969402
"1276400"	249.058202	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Cl"	34.969402
"18230"	465.126206	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M-2H+K"	36.948606
"462897"	679.215006	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M-2H+K"	36.948606
"840697"	251.037406	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-2H+K"	36.948606
"1565282"	251.037406	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+K-2H"	36.948606
"947697"	259.086994	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-H+HCOOH"	44.998194
"365911"	473.175801	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+HCOOH-H"	44.998201
"348704"	487.191451	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+Hac-H"	59.013851
"1507880"	273.102651	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Hac-H"	59.013851
"971286"	281.068951	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-H+NaCOOH"	66.980151
"116184"	249.058202	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+2Cl"	69.938804
"555744"	356.102602	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+2Cl"	69.938804
"1024545"	142.013802	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2Cl"	69.938804
"1248497"	293.007685	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Br"	78.918885
"1316413"	295.063672	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Cl+HCOOH"	80.974872
"1325161"	317.045629	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Cl+NaCOOH"	102.956829
"920594"	327.074386	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M-H+CF3COOH"	112.985586
"1300584"	363.051064	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Cl+CF3COOH"	148.962264
"1377651"	179.076124	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H-2H2O"	-35.012676
"1396241"	197.0861	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H-H2O"	-17.0027
"295927"	429.184876	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+H"	1.007276
"691313"	643.273676	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+H"	1.007276
"1366839"	215.096076	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H"	1.007276
"141355"	215.096076	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+2H"	2.014552
"580432"	322.140476	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+2H"	2.014552
"1052514"	108.051676	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2H"	2.014552
"219895"	143.733142666667	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+3H"	3.021828
"659820"	215.096076	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+3H"	3.021828
"1177370"	72.3702093333333	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+3H"	3.021828
"439553"	446.211423	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+NH4"	18.033823
"800910"	660.300223	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+NH4"	18.033823
"1696984"	232.122623	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+NH4"	18.033823
"345160"	223.6093495	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+H+NH4"	19.041099
"738352"	330.6537495	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+H+NH4"	19.041099
"1492663"	116.5649495	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H+NH4"	19.041099
"408506"	451.166818	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+Na"	22.989218
"769850"	665.255618	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+Na"	22.989218
"1618241"	237.078018	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Na"	22.989218
"329973"	226.087047	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+H+Na"	23.996494
"721869"	333.131447	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+H+Na"	23.996494
"1473989"	119.042647	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H+Na"	23.996494
"1067231"	79.6975233333333	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2H+Na"	25.00377
"1271095"	247.122286	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+CH3OH+H"	33.033486
"391138"	467.140758	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+K"	38.963158
"749582"	681.229558	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+K"	38.963158
"1545075"	253.051958	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+K"	38.963158
"302251"	234.074017	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+H+K"	39.970434
"700140"	341.118417	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+H+K"	39.970434
"1449586"	127.029617	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H+K"	39.970434
"241469"	470.211426	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+ACN+H"	42.033826
"1217457"	256.122626	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+ACN+H"	42.033826
"1196237"	128.564951	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+ACN+2H"	43.041102
"189834"	473.14876	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+2Na-H"	44.97116
"628745"	687.23756	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+2Na-H"	44.97116
"1132658"	259.05996	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2Na-H"	44.97116
"176924"	237.078018	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+2Na"	45.978436
"618309"	344.122418	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+2Na"	45.978436
"1118169"	130.033618	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2Na"	45.978436
"1400599"	87.0248373333333	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H+2Na"	46.985712
"1435270"	261.101546	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H+HCOOH"	47.012746
"226786"	242.11104	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+3H2O+2H"	56.04448
"1511201"	275.15359	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+IsoProp+H"	61.06479
"422194"	245.064988	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+Na+K"	61.952376
"782096"	352.109388	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+Na+K"	61.952376
"1676241"	138.020588	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Na+K"	61.952376
"265678"	492.193368	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+ACN+Na"	64.015768
"1240453"	278.104568	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+ACN+Na"	64.015768
"1723267"	278.128093	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+NH4+HCOOH"	64.039293
"1191905"	94.3521513333333	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+3Na"	68.967654
"1662892"	283.083488	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Na+HCOOH"	68.994688
"166470"	505.09664	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+2K-H"	76.91904
"606765"	719.18544	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+2K-H"	76.91904
"1090548"	291.00784	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2K-H"	76.91904
"151737"	253.051958	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"2M+2K"	77.926316
"592755"	360.096358	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"3M+2K"	77.926316
"1074718"	146.007558	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2K"	77.926316
"1105737"	293.022392	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2K+H"	78.933592
"1344307"	293.110007	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+DMSO+H"	79.021207
"1019034"	297.149176	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2ACN+H"	83.060376
"1533148"	298.142808	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+IsoProp+Na+H"	84.054008
"1000688"	149.078226	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+2ACN+2H"	84.067652
"1598471"	299.057428	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+K+HCOOH"	84.968628
"1425224"	329.088938	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+H+CF3COOH"	115.000138
"1156606"	169.591501	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+3ACN+2H"	125.094202
"1699967"	346.115485	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+NH4+CF3COOH"	132.026685
"1645095"	351.07088	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+Na+CF3COOH"	136.98208
"1576371"	367.04482	"C11802"	"Oxaburimamide"	"C8H14N4OS"	"214.0888"	"M+K+CF3COOH"	152.95602
"806737"	399.1365	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M"	0
"974676"	380.11811	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-H2O-H"	-19.01839
"66321"	265.083724	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M-3H"	-3.021828
"505153"	398.129224	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M-3H"	-3.021828
"880444"	132.038224	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-3H"	-3.021828
"1165"	398.129224	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M-2H"	-2.014552
"440638"	597.697474	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M-2H"	-2.014552
"830569"	198.560974	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-2H"	-2.014552
"91652"	797.265724	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M-H"	-1.007276
"526837"	1196.402224	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M-H"	-1.007276
"909745"	398.129224	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-H"	-1.007276
"59382"	814.292271	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M-2H+NH4"	16.019271
"500402"	1213.428771	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M-2H+NH4"	16.019271
"875650"	415.155771	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-2H+NH4"	16.019271
"42456"	819.247666	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M-2H+Na"	20.974666
"475097"	1218.384166	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M-2H+Na"	20.974666
"849253"	420.111166	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-2H+Na"	20.974666
"1622432"	420.111166	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Na-2H"	20.974666
"98962"	416.117563	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M-H+Cl"	33.962126
"542897"	615.685813	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M-H+Cl"	33.962126
"929850"	216.549313	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-H+Cl"	33.962126
"270957"	833.242402	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+Cl"	34.969402
"660826"	1232.378902	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+Cl"	34.969402
"1273712"	434.105902	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Cl"	34.969402
"18705"	835.221606	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M-2H+K"	36.948606
"464100"	1234.358106	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M-2H+K"	36.948606
"837527"	436.085106	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-2H+K"	36.948606
"1565392"	436.085106	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+K-2H"	36.948606
"947805"	444.134694	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-H+HCOOH"	44.998194
"367114"	843.271201	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+HCOOH-H"	44.998201
"349907"	857.286851	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+Hac-H"	59.013851
"1505678"	458.150351	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Hac-H"	59.013851
"972855"	466.116651	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-H+NaCOOH"	66.980151
"122855"	434.105902	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+2Cl"	69.938804
"561323"	633.674152	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+2Cl"	69.938804
"1030122"	234.537652	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2Cl"	69.938804
"1254075"	478.055385	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Br"	78.918885
"1317982"	480.111372	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Cl+HCOOH"	80.974872
"1325271"	502.093329	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Cl+NaCOOH"	102.956829
"923985"	512.122086	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M-H+CF3COOH"	112.985586
"1300694"	548.098764	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Cl+CF3COOH"	148.962264
"1376668"	364.123824	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H-2H2O"	-35.012676
"1396351"	382.1338	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H-H2O"	-17.0027
"296039"	799.280276	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+H"	1.007276
"690772"	1198.416776	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+H"	1.007276
"1365184"	400.143776	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H"	1.007276
"138802"	400.143776	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+2H"	2.014552
"579698"	599.712026	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+2H"	2.014552
"1051535"	200.575526	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2H"	2.014552
"219558"	267.098276	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+3H"	3.021828
"659768"	400.143776	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+3H"	3.021828
"1177120"	134.052776	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+3H"	3.021828
"439296"	816.306823	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+NH4"	18.033823
"801343"	1215.443323	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+NH4"	18.033823
"1696263"	417.170323	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+NH4"	18.033823
"345669"	408.6570495	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+H+NH4"	19.041099
"737571"	608.2252995	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+H+NH4"	19.041099
"1492118"	209.0887995	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H+NH4"	19.041099
"406913"	821.262218	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+Na"	22.989218
"769364"	1220.398718	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+Na"	22.989218
"1618066"	422.125718	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Na"	22.989218
"329894"	411.134747	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+H+Na"	23.996494
"721495"	610.702997	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+H+Na"	23.996494
"1473005"	211.566497	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H+Na"	23.996494
"1066127"	141.38009	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2H+Na"	25.00377
"1269384"	432.169986	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+CH3OH+H"	33.033486
"390881"	837.236158	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+K"	38.963158
"748600"	1236.372658	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+K"	38.963158
"1544091"	438.099658	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+K"	38.963158
"301268"	419.121717	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+H+K"	39.970434
"696969"	618.689967	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+H+K"	39.970434
"1447874"	219.553467	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H+K"	39.970434
"240485"	840.306826	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+ACN+H"	42.033826
"1218660"	441.170326	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+ACN+H"	42.033826
"1195619"	221.088801	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+ACN+2H"	43.041102
"189012"	843.24416	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+2Na-H"	44.97116
"629263"	1242.38066	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+2Na-H"	44.97116
"1132768"	444.10766	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2Na-H"	44.97116
"175941"	422.125718	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+2Na"	45.978436
"615867"	621.693968	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+2Na"	45.978436
"1120466"	222.557468	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2Na"	45.978436
"1399857"	148.707404	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H+2Na"	46.985712
"1439389"	446.149246	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H+HCOOH"	47.012746
"223980"	427.15874	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+3H2O+2H"	56.04448
"1508875"	460.20129	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+IsoProp+H"	61.06479
"423277"	430.112688	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+Na+K"	61.952376
"784393"	629.680938	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+Na+K"	61.952376
"1679631"	230.544438	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Na+K"	61.952376
"266154"	862.288768	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+ACN+Na"	64.015768
"1239834"	463.152268	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+ACN+Na"	64.015768
"1724470"	463.175793	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+NH4+HCOOH"	64.039293
"1191651"	156.034718	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+3Na"	68.967654
"1661544"	468.131188	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Na+HCOOH"	68.994688
"165487"	875.19204	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+2K-H"	76.91904
"607239"	1274.32854	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+2K-H"	76.91904
"1091752"	476.05554	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2K-H"	76.91904
"152939"	438.099658	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"2M+2K"	77.926316
"591405"	637.667908	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"3M+2K"	77.926316
"1075920"	238.531408	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2K"	77.926316
"1102567"	478.070092	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2K+H"	78.933592
"1346604"	478.157707	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+DMSO+H"	79.021207
"1017321"	482.196876	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2ACN+H"	83.060376
"1535445"	483.190508	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+IsoProp+Na+H"	84.054008
"1003714"	241.602076	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+2ACN+2H"	84.067652
"1599311"	484.105128	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+K+HCOOH"	84.968628
"1424970"	514.136638	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+H+CF3COOH"	115.000138
"1156716"	262.115351	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+3ACN+2H"	125.094202
"1704087"	531.163185	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+NH4+CF3COOH"	132.026685
"1645205"	536.11858	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+Na+CF3COOH"	136.98208
"1576481"	552.09252	"C11803"	"Oxmetidine"	"C19H21N5O3S"	"399.1365"	"M+K+CF3COOH"	152.95602
"806847"	344.2325	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M"	0
"975273"	325.21411	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-H2O-H"	-19.01839
"64973"	228.481057333333	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M-3H"	-3.021828
"504897"	343.225224	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M-3H"	-3.021828
"883794"	113.736890666667	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-3H"	-3.021828
"6742"	343.225224	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M-2H"	-2.014552
"441559"	515.341474	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M-2H"	-2.014552
"829588"	171.108974	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-2H"	-2.014552
"91764"	687.457724	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M-H"	-1.007276
"526947"	1031.690224	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M-H"	-1.007276
"906574"	343.225224	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-H"	-1.007276
"60222"	704.484271	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M-2H+NH4"	16.019271
"500148"	1048.716771	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M-2H+NH4"	16.019271
"875760"	360.251771	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-2H+NH4"	16.019271
"41108"	709.439666	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M-2H+Na"	20.974666
"474114"	1053.672166	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M-2H+Na"	20.974666
"848952"	365.207166	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-2H+Na"	20.974666
"1621449"	365.207166	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Na-2H"	20.974666
"95792"	361.213563	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M-H+Cl"	33.962126
"536808"	533.329813	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M-H+Cl"	33.962126
"928136"	189.097313	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-H+Cl"	33.962126
"268515"	723.434402	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+Cl"	34.969402
"662030"	1067.666902	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+Cl"	34.969402
"1273336"	379.201902	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Cl"	34.969402
"18815"	725.413606	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M-2H+K"	36.948606
"464210"	1069.646106	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M-2H+K"	36.948606
"839824"	381.181106	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-2H+K"	36.948606
"1566595"	381.181106	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+K-2H"	36.948606
"945364"	389.230694	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-H+HCOOH"	44.998194
"366131"	733.463201	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+HCOOH-H"	44.998201
"346372"	747.478851	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+Hac-H"	59.013851
"1506883"	403.246351	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Hac-H"	59.013851
"971506"	411.212651	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-H+NaCOOH"	66.980151
"118591"	379.201902	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+2Cl"	69.938804
"559248"	551.318152	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+2Cl"	69.938804
"1031327"	207.085652	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2Cl"	69.938804
"1250905"	423.151385	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Br"	78.918885
"1318456"	425.207372	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Cl+HCOOH"	80.974872
"1331943"	447.189329	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Cl+NaCOOH"	102.956829
"923731"	457.218086	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M-H+CF3COOH"	112.985586
"1299711"	493.194764	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Cl+CF3COOH"	148.962264
"1382128"	309.219824	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H-2H2O"	-35.012676
"1396464"	327.2298	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H-H2O"	-17.0027
"298221"	689.472276	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+H"	1.007276
"688570"	1033.704776	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+H"	1.007276
"1366380"	345.239776	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H"	1.007276
"140369"	345.239776	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+2H"	2.014552
"580533"	517.356026	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+2H"	2.014552
"1051277"	173.123526	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2H"	2.014552
"219057"	230.495609333333	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+3H"	3.021828
"659223"	345.239776	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+3H"	3.021828
"1177833"	115.751442666667	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+3H"	3.021828
"439288"	706.498823	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+NH4"	18.033823
"801140"	1050.731323	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+NH4"	18.033823
"1696252"	362.266323	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+NH4"	18.033823
"344530"	353.7530495	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+H+NH4"	19.041099
"737316"	525.8692995	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+H+NH4"	19.041099
"1492228"	181.6367995	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H+NH4"	19.041099
"406537"	711.454218	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+Na"	22.989218
"768380"	1055.686718	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+Na"	22.989218
"1617327"	367.221718	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Na"	22.989218
"328949"	356.230747	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+H+Na"	23.996494
"721489"	528.346997	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+H+Na"	23.996494
"1475303"	184.114497	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H+Na"	23.996494
"1066729"	123.078756666667	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2H+Na"	25.00377
"1270222"	377.265986	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+CH3OH+H"	33.033486
"391847"	727.428158	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+K"	38.963158
"748709"	1071.660658	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+K"	38.963158
"1543108"	383.195658	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+K"	38.963158
"301742"	364.217717	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+H+K"	39.970434
"694893"	536.333967	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+H+K"	39.970434
"1447620"	192.101467	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H+K"	39.970434
"240595"	730.498826	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+ACN+H"	42.033826
"1217677"	386.266326	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+ACN+H"	42.033826
"1194207"	193.636801	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+ACN+2H"	43.041102
"189083"	733.43616	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+2Na-H"	44.97116
"632896"	1077.66866	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+2Na-H"	44.97116
"1133243"	389.20366	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2Na-H"	44.97116
"178238"	367.221718	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+2Na"	45.978436
"618164"	539.337968	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+2Na"	45.978436
"1120576"	195.105468	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2Na"	45.978436
"1401547"	130.406070666667	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H+2Na"	46.985712
"1437313"	391.245246	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H+HCOOH"	47.012746
"224454"	372.25474	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+3H2O+2H"	56.04448
"1511055"	405.29729	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+IsoProp+H"	61.06479
"422173"	375.208688	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+Na+K"	61.952376
"781223"	547.324938	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+Na+K"	61.952376
"1673181"	203.092438	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Na+K"	61.952376
"262983"	752.480768	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+ACN+Na"	64.015768
"1238970"	408.248268	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+ACN+Na"	64.015768
"1715466"	408.271793	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+NH4+HCOOH"	64.039293
"1188479"	137.733384666667	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+3Na"	68.967654
"1656913"	413.227188	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Na+HCOOH"	68.994688
"163410"	765.38404	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+2K-H"	76.91904
"604068"	1109.61654	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+2K-H"	76.91904
"1095142"	421.15154	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2K-H"	76.91904
"149769"	383.195658	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"2M+2K"	77.926316
"584954"	555.311908	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"3M+2K"	77.926316
"1073843"	211.079408	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2K"	77.926316
"1104863"	423.166092	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2K+H"	78.933592
"1343433"	423.253707	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+DMSO+H"	79.021207
"1014150"	427.292876	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2ACN+H"	83.060376
"1532275"	428.286508	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+IsoProp+Na+H"	84.054008
"1003095"	214.150076	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+2ACN+2H"	84.067652
"1600514"	429.201128	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+K+HCOOH"	84.968628
"1423257"	459.232638	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+H+CF3COOH"	115.000138
"1156826"	234.663351	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+3ACN+2H"	125.094202
"1707477"	476.259185	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+NH4+CF3COOH"	132.026685
"1645315"	481.21458	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+Na+CF3COOH"	136.98208
"1576591"	497.18852	"C11804"	"Lamtidine"	"C18H28N6O"	"344.2325"	"M+K+CF3COOH"	152.95602
"810237"	359.2321	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M"	0
"980489"	340.21371	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-H2O-H"	-19.01839
"69823"	238.480790666667	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M-3H"	-3.021828
"505373"	358.224824	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M-3H"	-3.021828
"883904"	118.736757333333	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-3H"	-3.021828
"6852"	358.224824	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M-2H"	-2.014552
"440817"	537.840874	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M-2H"	-2.014552
"826414"	178.608774	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-2H"	-2.014552
"86405"	717.456924	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M-H"	-1.007276
"523776"	1076.689024	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M-H"	-1.007276
"899389"	358.224824	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-H"	-1.007276
"60332"	734.483471	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M-2H+NH4"	16.019271
"499530"	1093.715571	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M-2H+NH4"	16.019271
"877693"	375.251371	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-2H+NH4"	16.019271
"39032"	739.438866	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M-2H+Na"	20.974666
"475318"	1098.670966	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M-2H+Na"	20.974666
"849182"	380.206766	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-2H+Na"	20.974666
"1621560"	380.206766	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Na-2H"	20.974666
"94807"	376.213163	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M-H+Cl"	33.962126
"536918"	555.829213	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M-H+Cl"	33.962126
"927637"	196.597113	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-H+Cl"	33.962126
"267402"	753.433602	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+Cl"	34.969402
"660313"	1112.665702	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+Cl"	34.969402
"1273719"	394.201502	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Cl"	34.969402
"20748"	755.412806	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M-2H+K"	36.948606
"467601"	1114.644906	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M-2H+K"	36.948606
"842121"	396.180706	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-2H+K"	36.948606
"1566705"	396.180706	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+K-2H"	36.948606
"948026"	404.230294	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-H+HCOOH"	44.998194
"367334"	763.462401	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+HCOOH-H"	44.998201
"350126"	777.478051	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+Hac-H"	59.013851
"1507718"	418.245951	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Hac-H"	59.013851
"974203"	426.212251	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-H+NaCOOH"	66.980151
"124897"	394.201502	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+2Cl"	69.938804
"562638"	573.817552	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+2Cl"	69.938804
"1036299"	214.585452	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2Cl"	69.938804
"1255388"	438.150985	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Br"	78.918885
"1318570"	440.206972	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Cl+HCOOH"	80.974872
"1332053"	462.188929	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Cl+NaCOOH"	102.956829
"923112"	472.217686	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M-H+CF3COOH"	112.985586
"1302009"	508.194364	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Cl+CF3COOH"	148.962264
"1379075"	324.219424	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H-2H2O"	-35.012676
"1396571"	342.2294	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H-H2O"	-17.0027
"297353"	719.471476	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+H"	1.007276
"690627"	1078.703576	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+H"	1.007276
"1365041"	360.239376	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H"	1.007276
"139389"	360.239376	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+2H"	2.014552
"580286"	539.855426	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+2H"	2.014552
"1051276"	180.623326	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2H"	2.014552
"219409"	240.495342666667	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+3H"	3.021828
"659215"	360.239376	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+3H"	3.021828
"1178315"	120.751309333333	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+3H"	3.021828
"439280"	736.498023	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+NH4"	18.033823
"800523"	1095.730123	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+NH4"	18.033823
"1696606"	377.265923	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+NH4"	18.033823
"345248"	368.7526495	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+H+NH4"	19.041099
"737753"	548.3686995	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+H+NH4"	19.041099
"1490998"	189.1365995	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H+NH4"	19.041099
"407376"	741.453418	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+Na"	22.989218
"769221"	1100.685518	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+Na"	22.989218
"1617925"	382.221318	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Na"	22.989218
"329785"	371.230347	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+H+Na"	23.996494
"722326"	550.846397	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+H+Na"	23.996494
"1473227"	191.614297	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H+Na"	23.996494
"1067202"	128.078623333333	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2H+Na"	25.00377
"1267054"	392.265586	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+CH3OH+H"	33.033486
"392082"	757.427358	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+K"	38.963158
"749552"	1116.659458	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+K"	38.963158
"1553059"	398.195258	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+K"	38.963158
"308050"	379.217317	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+H+K"	39.970434
"702658"	558.833367	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+H+K"	39.970434
"1455385"	199.601267	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H+K"	39.970434
"245808"	760.498026	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+ACN+H"	42.033826
"1221432"	401.265926	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+ACN+H"	42.033826
"1195475"	201.136601	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+ACN+2H"	43.041102
"191626"	763.43536	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+2Na-H"	44.97116
"635193"	1122.66746	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+2Na-H"	44.97116
"1139793"	404.20326	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2Na-H"	44.97116
"176892"	382.221318	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+2Na"	45.978436
"617546"	561.837368	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+2Na"	45.978436
"1120322"	202.605268	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2Na"	45.978436
"1398860"	135.405937333333	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H+2Na"	46.985712
"1436330"	406.244846	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H+HCOOH"	47.012746
"224200"	387.25434	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+3H2O+2H"	56.04448
"1508733"	420.29689	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+IsoProp+H"	61.06479
"420337"	390.208288	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+Na+K"	61.952376
"783519"	569.824338	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+Na+K"	61.952376
"1677663"	210.592238	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Na+K"	61.952376
"264552"	782.479968	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+ACN+Na"	64.015768
"1236898"	423.247868	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+ACN+Na"	64.015768
"1724689"	423.271393	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+NH4+HCOOH"	64.039293
"1188953"	142.733251333333	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+3Na"	68.967654
"1656294"	428.226788	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Na+HCOOH"	68.994688
"165707"	795.38324	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+2K-H"	76.91904
"605271"	1154.61534	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+2K-H"	76.91904
"1097076"	436.15114	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2K-H"	76.91904
"152068"	398.195258	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"2M+2K"	77.926316
"590533"	577.811308	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"3M+2K"	77.926316
"1077233"	218.579208	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2K"	77.926316
"1104974"	438.165692	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2K+H"	78.933592
"1343544"	438.253307	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+DMSO+H"	79.021207
"1010981"	442.292476	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2ACN+H"	83.060376
"1525217"	443.286108	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+IsoProp+Na+H"	84.054008
"1002114"	221.649876	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+2ACN+2H"	84.067652
"1601356"	444.200728	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+K+HCOOH"	84.968628
"1427741"	474.232238	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+H+CF3COOH"	115.000138
"1150377"	242.163151	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+3ACN+2H"	125.094202
"1707587"	491.258785	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+NH4+CF3COOH"	132.026685
"1645424"	496.21418	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+Na+CF3COOH"	136.98208
"1576701"	512.18812	"C11805"	"Loxtidine;Lavoltidine"	"C19H29N5O2"	"359.2321"	"M+K+CF3COOH"	152.95602
"807067"	383.0751	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M"	0
"980599"	364.05671	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-H2O-H"	-19.01839
"66653"	254.376124	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M-3H"	-3.021828
"505483"	382.067824	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M-3H"	-3.021828
"881461"	126.684424	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-3H"	-3.021828
"2588"	382.067824	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M-2H"	-2.014552
"440684"	573.605374	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M-2H"	-2.014552
"826524"	190.530274	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-2H"	-2.014552
"84328"	765.142924	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M-H"	-1.007276
"519508"	1148.218024	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M-H"	-1.007276
"897916"	382.067824	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-H"	-1.007276
"49503"	782.169471	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M-2H+NH4"	16.019271
"495268"	1165.244571	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M-2H+NH4"	16.019271
"875615"	399.094371	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-2H+NH4"	16.019271
"39142"	787.124866	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M-2H+Na"	20.974666
"475428"	1170.199966	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M-2H+Na"	20.974666
"852135"	404.049766	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-2H+Na"	20.974666
"1624950"	404.049766	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Na-2H"	20.974666
"99291"	400.056163	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M-H+Cl"	33.962126
"536664"	591.593713	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M-H+Cl"	33.962126
"928961"	208.518613	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-H+Cl"	33.962126
"268735"	801.119602	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+Cl"	34.969402
"660787"	1184.194702	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+Cl"	34.969402
"1273063"	418.044502	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Cl"	34.969402
"17574"	803.098806	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M-2H+K"	36.948606
"471291"	1186.173906	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M-2H+K"	36.948606
"844418"	420.023706	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-2H+K"	36.948606
"1566815"	420.023706	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+K-2H"	36.948606
"950322"	428.073294	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-H+HCOOH"	44.998194
"369267"	811.148401	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+HCOOH-H"	44.998201
"352424"	825.164051	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+Hac-H"	59.013851
"1507098"	442.088951	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Hac-H"	59.013851
"973916"	450.055251	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-H+NaCOOH"	66.980151
"122092"	418.044502	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+2Cl"	69.938804
"564932"	609.582052	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+2Cl"	69.938804
"1033732"	226.506952	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2Cl"	69.938804
"1252217"	461.993985	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Br"	78.918885
"1317580"	464.049972	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Cl+HCOOH"	80.974872
"1325602"	486.031929	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Cl+NaCOOH"	102.956829
"919941"	496.060686	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M-H+CF3COOH"	112.985586
"1304145"	532.037364	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Cl+CF3COOH"	148.962264
"1382690"	348.062424	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H-2H2O"	-35.012676
"1397777"	366.0724	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H-H2O"	-17.0027
"298428"	767.157476	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+H"	1.007276
"690251"	1150.232576	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+H"	1.007276
"1366845"	384.082376	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H"	1.007276
"139862"	384.082376	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+2H"	2.014552
"580276"	575.619926	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+2H"	2.014552
"1051502"	192.544826	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2H"	2.014552
"219647"	256.390676	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+3H"	3.021828
"659789"	384.082376	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+3H"	3.021828
"1178313"	128.698976	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+3H"	3.021828
"439721"	784.184023	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+NH4"	18.033823
"801000"	1167.259123	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+NH4"	18.033823
"1696478"	401.108923	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+NH4"	18.033823
"345643"	392.5956495	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+H+NH4"	19.041099
"738226"	584.1331995	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+H+NH4"	19.041099
"1491108"	201.0580995	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H+NH4"	19.041099
"406507"	789.139418	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+Na"	22.989218
"766772"	1172.214518	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+Na"	22.989218
"1618035"	406.064318	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Na"	22.989218
"329689"	395.073347	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+H+Na"	23.996494
"719516"	586.610897	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+H+Na"	23.996494
"1473337"	203.535797	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H+Na"	23.996494
"1062207"	136.02629	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2H+Na"	25.00377
"1267163"	416.108586	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+CH3OH+H"	33.033486
"392633"	805.113358	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+K"	38.963158
"752575"	1188.188458	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+K"	38.963158
"1554263"	422.038258	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+K"	38.963158
"308161"	403.060317	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+H+K"	39.970434
"704227"	594.597867	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+H+K"	39.970434
"1453309"	211.522767	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H+K"	39.970434
"246282"	808.184026	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+ACN+H"	42.033826
"1223365"	425.108926	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+ACN+H"	42.033826
"1201781"	213.058101	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+ACN+2H"	43.041102
"194652"	811.12136	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+2Na-H"	44.97116
"635303"	1194.19646	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+2Na-H"	44.97116
"1139903"	428.04626	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2Na-H"	44.97116
"177731"	406.064318	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+2Na"	45.978436
"617656"	597.601868	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+2Na"	45.978436
"1120067"	214.526768	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2Na"	45.978436
"1400308"	143.353604	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H+2Na"	46.985712
"1435347"	430.087846	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H+HCOOH"	47.012746
"224310"	411.09734	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+3H2O+2H"	56.04448
"1510182"	444.13989	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+IsoProp+H"	61.06479
"420447"	414.051288	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+Na+K"	61.952376
"781442"	605.588838	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+Na+K"	61.952376
"1674492"	222.513738	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Na+K"	61.952376
"265389"	830.165968	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+ACN+Na"	64.015768
"1239919"	447.090868	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+ACN+Na"	64.015768
"1723705"	447.114393	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+NH4+HCOOH"	64.039293
"1190158"	150.680918	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+3Na"	68.967654
"1655676"	452.069788	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Na+HCOOH"	68.994688
"166911"	843.06924	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+2K-H"	76.91904
"606475"	1226.14434	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+2K-H"	76.91904
"1097187"	459.99414	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2K-H"	76.91904
"152178"	422.038258	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"2M+2K"	77.926316
"588456"	613.575808	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"3M+2K"	77.926316
"1072970"	230.500708	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2K"	77.926316
"1103991"	462.008692	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2K+H"	78.933592
"1342561"	462.096307	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+DMSO+H"	79.021207
"1009998"	466.135476	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2ACN+H"	83.060376
"1529216"	467.129108	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+IsoProp+Na+H"	84.054008
"1002223"	233.571376	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+2ACN+2H"	84.067652
"1600008"	468.043728	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+K+HCOOH"	84.968628
"1424571"	498.075238	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+H+CF3COOH"	115.000138
"1152672"	254.084651	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+3ACN+2H"	125.094202
"1707697"	515.101785	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+NH4+CF3COOH"	132.026685
"1642254"	520.05718	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+Na+CF3COOH"	136.98208
"1576811"	536.03112	"C11806"	"Pantoprazole"	"C16H15F2N3O4S"	"383.0751"	"M+K+CF3COOH"	152.95602
"810457"	334.1681	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M"	0
"981802"	315.14971	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-H2O-H"	-19.01839
"67856"	221.771457333333	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M-3H"	-3.021828
"509603"	333.160824	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M-3H"	-3.021828
"881937"	110.382090666667	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-3H"	-3.021828
"8165"	333.160824	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M-2H"	-2.014552
"440119"	500.244874	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M-2H"	-2.014552
"826634"	166.076774	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-2H"	-2.014552
"87717"	667.328924	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M-H"	-1.007276
"520470"	1001.497024	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M-H"	-1.007276
"899605"	333.160824	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-H"	-1.007276
"50706"	684.355471	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M-2H+NH4"	16.019271
"493556"	1018.523571	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M-2H+NH4"	16.019271
"875725"	350.187371	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-2H+NH4"	16.019271
"42532"	689.310866	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M-2H+Na"	20.974666
"472864"	1023.478966	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M-2H+Na"	20.974666
"850057"	355.142766	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-2H+Na"	20.974666
"1623967"	355.142766	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Na-2H"	20.974666
"99401"	351.149163	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M-H+Cl"	33.962126
"536774"	518.233213	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M-H+Cl"	33.962126
"927732"	184.065113	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-H+Cl"	33.962126
"268966"	703.305602	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+Cl"	34.969402
"660534"	1037.473702	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+Cl"	34.969402
"1272903"	369.137502	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Cl"	34.969402
"15857"	705.284806	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M-2H+K"	36.948606
"463444"	1039.452906	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M-2H+K"	36.948606
"839059"	371.116706	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-2H+K"	36.948606
"1564738"	371.116706	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+K-2H"	36.948606
"951525"	379.166294	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-H+HCOOH"	44.998194
"371563"	713.334401	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+HCOOH-H"	44.998201
"350347"	727.350051	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+Hac-H"	59.013851
"1508346"	393.181951	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Hac-H"	59.013851
"974057"	401.148251	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-H+NaCOOH"	66.980151
"125329"	369.137502	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+2Cl"	69.938804
"564805"	536.221552	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+2Cl"	69.938804
"1036028"	202.053452	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2Cl"	69.938804
"1255607"	413.086985	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Br"	78.918885
"1318419"	415.142972	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Cl+HCOOH"	80.974872
"1326805"	437.124929	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Cl+NaCOOH"	102.956829
"923331"	447.153686	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M-H+CF3COOH"	112.985586
"1303688"	483.130364	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Cl+CF3COOH"	148.962264
"1381487"	299.155424	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H-2H2O"	-35.012676
"1397523"	317.1654	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H-H2O"	-17.0027
"297940"	669.343476	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+H"	1.007276
"691053"	1003.511576	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+H"	1.007276
"1365985"	335.175376	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H"	1.007276
"140338"	335.175376	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+2H"	2.014552
"579899"	502.259426	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+2H"	2.014552
"1051855"	168.091326	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2H"	2.014552
"219029"	223.786009333333	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+3H"	3.021828
"659603"	335.175376	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+3H"	3.021828
"1178428"	112.396642666667	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+3H"	3.021828
"439831"	686.370023	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+NH4"	18.033823
"801304"	1020.538123	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+NH4"	18.033823
"1696932"	352.201923	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+NH4"	18.033823
"344251"	343.6886495	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+H+NH4"	19.041099
"737034"	510.7726995	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+H+NH4"	19.041099
"1490490"	176.6045995	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H+NH4"	19.041099
"406979"	691.325418	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+Na"	22.989218
"768828"	1025.493518	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+Na"	22.989218
"1614980"	357.157318	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Na"	22.989218
"328298"	346.166347	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+H+Na"	23.996494
"720598"	513.250397	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+H+Na"	23.996494
"1475391"	179.082297	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H+Na"	23.996494
"1062317"	119.723956666667	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2H+Na"	25.00377
"1268366"	367.201586	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+CH3OH+H"	33.033486
"392579"	707.299358	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+K"	38.963158
"752689"	1041.467458	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+K"	38.963158
"1552188"	373.131258	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+K"	38.963158
"310457"	354.153317	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+H+K"	39.970434
"703971"	521.237367	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+H+K"	39.970434
"1455606"	187.069267	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H+K"	39.970434
"246028"	710.370026	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+ACN+H"	42.033826
"1222746"	376.201926	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+ACN+H"	42.033826
"1200798"	188.604601	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+ACN+2H"	43.041102
"194762"	713.30736	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+2Na-H"	44.97116
"637600"	1047.47546	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+2Na-H"	44.97116
"1137826"	379.13926	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2Na-H"	44.97116
"176749"	357.157318	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+2Na"	45.978436
"616310"	524.241368	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+2Na"	45.978436
"1117991"	190.073268	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2Na"	45.978436
"1401391"	127.051270666667	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H+2Na"	46.985712
"1433634"	381.180846	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H+HCOOH"	47.012746
"224056"	362.19034	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+3H2O+2H"	56.04448
"1510050"	395.23289	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+IsoProp+H"	61.06479
"417276"	365.144288	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+Na+K"	61.952376
"779365"	532.228338	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+Na+K"	61.952376
"1674602"	198.060238	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Na+K"	61.952376
"262218"	732.351968	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+ACN+Na"	64.015768
"1238206"	398.183868	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+ACN+Na"	64.015768
"1722722"	398.207393	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+NH4+HCOOH"	64.039293
"1188808"	134.378584666667	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+3Na"	68.967654
"1657973"	403.162788	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Na+HCOOH"	68.994688
"168843"	745.25524	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+2K-H"	76.91904
"605491"	1079.42334	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+2K-H"	76.91904
"1096204"	411.08714	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2K-H"	76.91904
"149007"	373.131258	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"2M+2K"	77.926316
"588566"	540.215308	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"3M+2K"	77.926316
"1073078"	206.047208	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2K"	77.926316
"1105194"	413.101692	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2K+H"	78.933592
"1338297"	413.189307	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+DMSO+H"	79.021207
"1006457"	417.228476	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2ACN+H"	83.060376
"1528232"	418.222108	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+IsoProp+Na+H"	84.054008
"1001968"	209.117876	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+2ACN+2H"	84.067652
"1599752"	419.136728	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+K+HCOOH"	84.968628
"1425774"	449.168238	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+H+CF3COOH"	115.000138
"1149503"	229.631151	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+3ACN+2H"	125.094202
"1709994"	466.194785	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+NH4+CF3COOH"	132.026685
"1642364"	471.15018	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+Na+CF3COOH"	136.98208
"1576921"	487.12412	"C11807"	"Vinorine"	"C21H22N2O2"	"334.1681"	"M+K+CF3COOH"	152.95602
"807287"	352.1787	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M"	0
"980819"	333.16031	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"64321"	233.778524	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"508619"	351.171424	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"883141"	116.385624	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"10463"	351.171424	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"440422"	527.260774	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"824555"	175.082074	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"83453"	703.350124	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"521551"	1055.528824	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"897529"	351.171424	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"49723"	720.376671	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"496579"	1072.555371	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"870367"	368.197971	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"42642"	725.332066	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"475648"	1077.510766	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"849073"	373.153366	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1624077"	373.153366	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"99511"	369.159763	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"535302"	545.249113	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"927478"	193.070413	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"269319"	739.326802	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"660064"	1091.505502	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1273196"	387.148102	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"15804"	741.306006	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"461368"	1093.484706	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"833009"	389.127306	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1563755"	389.127306	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"948356"	397.176894	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"369851"	749.355601	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"350457"	763.371251	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1508282"	411.192551	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"974052"	419.158851	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"125678"	387.148102	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"565605"	563.237452	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1036668"	211.058752	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1253531"	431.097585	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1319821"	433.153572	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1325822"	455.135529	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"922348"	465.164286	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1302339"	501.140964	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1382681"	317.166024	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1398447"	335.176	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"298175"	705.364676	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"691079"	1057.543376	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1365732"	353.185976	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"140083"	353.185976	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"580008"	529.275326	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1052447"	177.096626	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"219666"	235.793076	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"659633"	353.185976	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1178324"	118.400176	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"439737"	722.391223	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"801138"	1074.569923	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1696902"	370.212523	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"344722"	361.6992495	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"737385"	537.7885995	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1490963"	185.6098995	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"405996"	727.346618	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"769588"	1079.525318	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1616183"	375.167918	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"329259"	364.176947	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"721680"	540.266297	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1474648"	188.087597	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1063520"	125.72749	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1269569"	385.212186	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"391797"	743.320558	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"753730"	1095.499258	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1553026"	391.141858	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"310566"	372.163917	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"702987"	548.253267	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1456808"	196.074567	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"245408"	746.391226	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1222491"	394.212526	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1198721"	197.609901	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"191592"	749.32856	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"637710"	1101.50726	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1140123"	397.14986	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"177223"	375.167918	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"617877"	551.257268	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1117734"	199.078568	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1400162"	133.054804	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1434108"	399.191446	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"225259"	380.20094	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1510401"	413.24349	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"414106"	383.154888	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"778018"	559.244238	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1674712"	207.065538	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"262328"	768.373168	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1238316"	416.194468	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1727893"	416.217993	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1189283"	140.382118	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1659177"	421.173388	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"164944"	781.27644	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"606694"	1133.45514	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1095584"	429.09774	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"149117"	391.141858	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"589769"	567.231208	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1071001"	215.052508	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1105304"	431.112292	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1338407"	431.199907	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1006690"	435.239076	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1525545"	436.232708	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"1002078"	218.123176	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1598039"	437.147328	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1425884"	467.178838	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1149613"	238.636451	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1710104"	484.205385	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1642474"	489.16078	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1577031"	505.13472	"C11808"	"12-Dihydrovomilenine;2-beta-(R)-12-Dihydrovomilenine"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"807397"	354.1943	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M"	0
"980929"	335.17591	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-H2O-H"	-19.01839
"64431"	235.122257333333	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M-3H"	-3.021828
"505449"	353.187024	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M-3H"	-3.021828
"884344"	117.057490666667	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-3H"	-3.021828
"10572"	353.187024	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M-2H"	-2.014552
"440774"	530.284174	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M-2H"	-2.014552
"822479"	176.089874	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-2H"	-2.014552
"83563"	707.381324	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M-H"	-1.007276
"520933"	1061.575624	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M-H"	-1.007276
"895691"	353.187024	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-H"	-1.007276
"48127"	724.407871	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M-2H+NH4"	16.019271
"495596"	1078.602171	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M-2H+NH4"	16.019271
"870477"	370.213571	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-2H+NH4"	16.019271
"40566"	729.363266	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M-2H+Na"	20.974666
"471660"	1083.557566	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M-2H+Na"	20.974666
"849302"	375.168966	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-2H+Na"	20.974666
"1618635"	375.168966	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Na-2H"	20.974666
"94631"	371.175363	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M-H+Cl"	33.962126
"536628"	548.272513	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M-H+Cl"	33.962126
"927072"	194.078213	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-H+Cl"	33.962126
"267477"	743.358002	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+Cl"	34.969402
"660307"	1097.552302	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+Cl"	34.969402
"1272830"	389.163702	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Cl"	34.969402
"16034"	745.337206	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M-2H+K"	36.948606
"456372"	1099.531506	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M-2H+K"	36.948606
"832809"	391.142906	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-2H+K"	36.948606
"1558397"	391.142906	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+K-2H"	36.948606
"945186"	399.192494	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-H+HCOOH"	44.998194
"364494"	753.386801	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+HCOOH-H"	44.998201
"350567"	767.402451	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+Hac-H"	59.013851
"1507671"	413.208151	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Hac-H"	59.013851
"974140"	421.174451	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-H+NaCOOH"	66.980151
"124243"	389.163702	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+2Cl"	69.938804
"565390"	566.260852	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+2Cl"	69.938804
"1036250"	212.066552	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2Cl"	69.938804
"1254735"	433.113185	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Br"	78.918885
"1319613"	435.169172	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Cl+HCOOH"	80.974872
"1325932"	457.151129	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Cl+NaCOOH"	102.956829
"922458"	467.179886	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M-H+CF3COOH"	112.985586
"1300261"	503.156564	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Cl+CF3COOH"	148.962264
"1382638"	319.181624	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H-2H2O"	-35.012676
"1397746"	337.1916	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H-H2O"	-17.0027
"297072"	709.395876	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+H"	1.007276
"691206"	1063.590176	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+H"	1.007276
"1366691"	355.201576	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H"	1.007276
"139827"	355.201576	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+2H"	2.014552
"580116"	532.298726	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+2H"	2.014552
"1051462"	178.104426	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2H"	2.014552
"219836"	237.136809333333	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+3H"	3.021828
"659774"	355.201576	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+3H"	3.021828
"1178228"	119.072042666667	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+3H"	3.021828
"439357"	726.422423	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+NH4"	18.033823
"800227"	1080.616723	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+NH4"	18.033823
"1696072"	372.228123	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+NH4"	18.033823
"344832"	363.7148495	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+H+NH4"	19.041099
"737616"	540.8119995	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+H+NH4"	19.041099
"1490707"	186.6176995	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H+NH4"	19.041099
"406105"	731.377818	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+Na"	22.989218
"769043"	1085.572118	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+Na"	22.989218
"1617141"	377.183518	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Na"	22.989218
"325237"	366.192547	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+H+Na"	23.996494
"716564"	543.289697	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+H+Na"	23.996494
"1470383"	189.095397	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H+Na"	23.996494
"1059253"	126.399356666667	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2H+Na"	25.00377
"1265305"	387.227786	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+CH3OH+H"	33.033486
"388261"	747.351758	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+K"	38.963158
"751082"	1101.546058	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+K"	38.963158
"1550219"	393.157458	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+K"	38.963158
"304116"	374.179517	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+H+K"	39.970434
"702733"	551.276667	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+H+K"	39.970434
"1454729"	197.082367	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H+K"	39.970434
"242238"	750.422426	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+ACN+H"	42.033826
"1217133"	396.228126	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+ACN+H"	42.033826
"1195551"	198.617701	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+ACN+2H"	43.041102
"190242"	753.35976	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+2Na-H"	44.97116
"634540"	1107.55406	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+2Na-H"	44.97116
"1131849"	399.16546	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2Na-H"	44.97116
"175145"	377.183518	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+2Na"	45.978436
"617623"	554.280668	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+2Na"	45.978436
"1117481"	200.086368	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2Na"	45.978436
"1399908"	133.726670666667	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H+2Na"	46.985712
"1435676"	401.207046	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H+HCOOH"	47.012746
"222089"	382.21654	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+3H2O+2H"	56.04448
"1509782"	415.25909	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+IsoProp+H"	61.06479
"415309"	385.170488	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+Na+K"	61.952376
"777398"	562.267638	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+Na+K"	61.952376
"1672635"	208.073338	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Na+K"	61.952376
"263531"	772.404368	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+ACN+Na"	64.015768
"1237333"	418.210068	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+ACN+Na"	64.015768
"1726224"	418.233593	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+NH4+HCOOH"	64.039293
"1188300"	141.053984666667	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+3Na"	68.967654
"1658193"	423.188988	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Na+HCOOH"	68.994688
"166147"	785.30764	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+2K-H"	76.91904
"607897"	1139.50194	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+2K-H"	76.91904
"1096423"	431.11334	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2K-H"	76.91904
"148134"	393.157458	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"2M+2K"	77.926316
"587693"	570.254608	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"3M+2K"	77.926316
"1070260"	216.060308	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2K"	77.926316
"1104321"	433.127892	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2K+H"	78.933592
"1338517"	433.215507	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+DMSO+H"	79.021207
"1005948"	437.254676	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2ACN+H"	83.060376
"1525292"	438.248308	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+IsoProp+Na+H"	84.054008
"1002552"	219.130976	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+2ACN+2H"	84.067652
"1598149"	439.162928	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+K+HCOOH"	84.968628
"1425994"	469.194438	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+H+CF3COOH"	115.000138
"1148630"	239.644251	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+3ACN+2H"	125.094202
"1710214"	486.220985	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+NH4+CF3COOH"	132.026685
"1642584"	491.17638	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+Na+CF3COOH"	136.98208
"1577141"	507.15032	"C11809"	"17-O-Acetylnorajmaline"	"C21H26N2O3"	"354.1943"	"M+K+CF3COOH"	152.95602
"814067"	312.1838	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M"	0
"984319"	293.16541	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-H2O-H"	-19.01839
"65634"	207.115257333333	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M-3H"	-3.021828
"506652"	311.176524	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M-3H"	-3.021828
"885547"	103.053990666667	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-3H"	-3.021828
"11776"	311.176524	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M-2H"	-2.014552
"444773"	467.268424	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M-2H"	-2.014552
"824775"	155.084624	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-2H"	-2.014552
"84766"	623.360324	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M-H"	-1.007276
"521043"	935.544124	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M-H"	-1.007276
"896529"	311.176524	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-H"	-1.007276
"48116"	640.386871	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M-2H+NH4"	16.019271
"495706"	952.570671	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M-2H+NH4"	16.019271
"870587"	328.203071	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-2H+NH4"	16.019271
"40676"	645.342266	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M-2H+Na"	20.974666
"471570"	957.526066	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M-2H+Na"	20.974666
"849293"	333.158466	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-2H+Na"	20.974666
"1618605"	333.158466	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Na-2H"	20.974666
"95354"	329.164863	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M-H+Cl"	33.962126
"538560"	485.256763	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M-H+Cl"	33.962126
"927573"	173.072963	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-H+Cl"	33.962126
"268079"	659.337002	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+Cl"	34.969402
"660295"	971.520802	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+Cl"	34.969402
"1273258"	347.153202	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Cl"	34.969402
"17284"	661.316206	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M-2H+K"	36.948606
"457211"	973.500006	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M-2H+K"	36.948606
"833267"	349.132406	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-2H+K"	36.948606
"1557414"	349.132406	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+K-2H"	36.948606
"945657"	357.181994	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-H+HCOOH"	44.998194
"362777"	669.365801	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+HCOOH-H"	44.998201
"347025"	683.381451	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+Hac-H"	59.013851
"1497325"	371.197651	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Hac-H"	59.013851
"960120"	379.163951	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-H+NaCOOH"	66.980151
"125079"	347.153202	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+2Cl"	69.938804
"564282"	503.245102	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+2Cl"	69.938804
"1034902"	191.061302	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2Cl"	69.938804
"1254480"	391.102685	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Br"	78.918885
"1317658"	393.158672	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Cl+HCOOH"	80.974872
"1326040"	415.140629	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Cl+NaCOOH"	102.956829
"920381"	425.169386	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M-H+CF3COOH"	112.985586
"1295997"	461.146064	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Cl+CF3COOH"	148.962264
"1375250"	277.171124	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H-2H2O"	-35.012676
"1396758"	295.1811	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H-H2O"	-17.0027
"296444"	625.374876	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+H"	1.007276
"689960"	937.558676	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+H"	1.007276
"1365945"	313.191076	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H"	1.007276
"141228"	313.191076	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+2H"	2.014552
"580102"	469.282976	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+2H"	2.014552
"1052300"	157.099176	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2H"	2.014552
"219883"	209.129809333333	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+3H"	3.021828
"659154"	313.191076	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+3H"	3.021828
"1178256"	105.068542666667	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+3H"	3.021828
"439707"	642.401423	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+NH4"	18.033823
"801105"	954.585223	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+NH4"	18.033823
"1696708"	330.217623	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+NH4"	18.033823
"345228"	321.7043495	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+H+NH4"	19.041099
"737852"	477.7962495	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+H+NH4"	19.041099
"1492276"	165.6124495	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H+NH4"	19.041099
"406213"	647.356818	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+Na"	22.989218
"766114"	959.540618	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+Na"	22.989218
"1613120"	335.173018	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Na"	22.989218
"326073"	324.182047	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+H+Na"	23.996494
"717765"	480.273947	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+H+Na"	23.996494
"1469398"	168.090147	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H+Na"	23.996494
"1061549"	112.395856666667	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2H+Na"	25.00377
"1264321"	345.217286	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+CH3OH+H"	33.033486
"389464"	663.330758	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+K"	38.963158
"749368"	975.514558	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+K"	38.963158
"1545955"	351.146958	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+K"	38.963158
"303131"	332.169017	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+H+K"	39.970434
"697738"	488.260917	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+H+K"	39.970434
"1453745"	176.077117	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H+K"	39.970434
"240160"	666.401426	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+ACN+H"	42.033826
"1215056"	354.217626	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+ACN+H"	42.033826
"1195296"	177.612451	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+ACN+2H"	43.041102
"191445"	669.33876	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+2Na-H"	44.97116
"632828"	981.52256	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+2Na-H"	44.97116
"1136335"	357.15496	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2Na-H"	44.97116
"174158"	335.173018	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+2Na"	45.978436
"614081"	491.264918	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+2Na"	45.978436
"1116082"	179.081118	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2Na"	45.978436
"1398631"	119.723170666667	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H+2Na"	46.985712
"1432866"	359.196546	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H+HCOOH"	47.012746
"221464"	340.20604	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+3H2O+2H"	56.04448
"1510256"	373.24859	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+IsoProp+H"	61.06479
"417604"	343.159988	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+Na+K"	61.952376
"779694"	499.251888	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+Na+K"	61.952376
"1676024"	187.068088	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Na+K"	61.952376
"262184"	688.383368	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+ACN+Na"	64.015768
"1234161"	376.199568	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+ACN+Na"	64.015768
"1721955"	376.223093	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+NH4+HCOOH"	64.039293
"1186224"	127.050484666667	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+3Na"	68.967654
"1656118"	381.178488	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Na+HCOOH"	68.994688
"160425"	701.28664	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+2K-H"	76.91904
"606186"	1013.47044	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+2K-H"	76.91904
"1090334"	389.10284	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2K-H"	76.91904
"147150"	351.146958	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"2M+2K"	77.926316
"583670"	507.238858	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"3M+2K"	77.926316
"1068906"	195.055058	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2K"	77.926316
"1101150"	391.117392	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2K+H"	78.933592
"1335980"	391.205007	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+DMSO+H"	79.021207
"1005824"	395.244176	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2ACN+H"	83.060376
"1528561"	396.237808	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+IsoProp+Na+H"	84.054008
"996101"	198.125726	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+2ACN+2H"	84.067652
"1596071"	397.152428	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+K+HCOOH"	84.968628
"1423917"	427.183938	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+H+CF3COOH"	115.000138
"1152019"	218.639001	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+3ACN+2H"	125.094202
"1709231"	444.210485	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+NH4+CF3COOH"	132.026685
"1637590"	449.16588	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+Na+CF3COOH"	136.98208
"1572147"	465.13982	"C11810"	"Norajmaline"	"C19H24N2O2"	"312.1838"	"M+K+CF3COOH"	152.95602
"815271"	262.0007	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M"	0
"986616"	242.98231	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-H2O-H"	-19.01839
"74857"	173.659857333333	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M-3H"	-3.021828
"514417"	260.993424	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M-3H"	-3.021828
"894405"	86.3262906666667	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-3H"	-3.021828
"11523"	260.993424	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M-2H"	-2.014552
"445979"	391.993774	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M-2H"	-2.014552
"828167"	129.993074	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-2H"	-2.014552
"87065"	522.994124	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M-H"	-1.007276
"522248"	784.994824	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M-H"	-1.007276
"897862"	260.993424	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-H"	-1.007276
"47859"	540.020671	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M-2H+NH4"	16.019271
"500186"	802.021371	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M-2H+NH4"	16.019271
"873977"	278.019971	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-2H+NH4"	16.019271
"41877"	544.976066	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M-2H+Na"	20.974666
"473424"	806.976766	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M-2H+Na"	20.974666
"855963"	282.975366	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-2H+Na"	20.974666
"1619296"	282.975366	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Na-2H"	20.974666
"95100"	278.981763	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M-H+Cl"	33.962126
"540857"	409.982113	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M-H+Cl"	33.962126
"936194"	147.981413	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-H+Cl"	33.962126
"273293"	558.970802	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+Cl"	34.969402
"663163"	820.971502	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+Cl"	34.969402
"1274472"	296.970102	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Cl"	34.969402
"22497"	560.950006	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M-2H+K"	36.948606
"459874"	822.950706	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M-2H+K"	36.948606
"833419"	298.949306	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-2H+K"	36.948606
"1559339"	298.949306	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+K-2H"	36.948606
"948685"	306.998894	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-H+HCOOH"	44.998194
"367993"	568.999601	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+HCOOH-H"	44.998201
"349686"	583.015251	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+Hac-H"	59.013851
"1496342"	321.014551	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Hac-H"	59.013851
"960594"	328.980851	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-H+NaCOOH"	66.980151
"123368"	296.970102	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+2Cl"	69.938804
"564392"	427.970452	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+2Cl"	69.938804
"1033555"	165.969752	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2Cl"	69.938804
"1252767"	340.919585	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Br"	78.918885
"1317038"	342.975572	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Cl+HCOOH"	80.974872
"1325057"	364.957529	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Cl+NaCOOH"	102.956829
"919398"	374.986286	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M-H+CF3COOH"	112.985586
"1296107"	410.962964	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Cl+CF3COOH"	148.962264
"1370013"	226.988024	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H-2H2O"	-35.012676
"1391763"	244.998	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H-H2O"	-17.0027
"295824"	525.008676	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+H"	1.007276
"688975"	787.009376	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+H"	1.007276
"1364234"	263.007976	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H"	1.007276
"140404"	263.007976	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+2H"	2.014552
"580697"	394.008326	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+2H"	2.014552
"1052047"	132.007626	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2H"	2.014552
"219667"	175.674409333333	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+3H"	3.021828
"658049"	263.007976	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+3H"	3.021828
"1177633"	88.3408426666667	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+3H"	3.021828
"439450"	542.035223	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+NH4"	18.033823
"800078"	804.035923	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+NH4"	18.033823
"1696736"	280.034523	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+NH4"	18.033823
"345336"	271.5212495	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+H+NH4"	19.041099
"737473"	402.5215995	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+H+NH4"	19.041099
"1491291"	140.5208995	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H+NH4"	19.041099
"406689"	546.990618	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+Na"	22.989218
"768414"	808.991318	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+Na"	22.989218
"1616876"	284.989918	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Na"	22.989218
"328373"	273.998947	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+H+Na"	23.996494
"721764"	404.999297	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+H+Na"	23.996494
"1472789"	142.998597	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H+Na"	23.996494
"1060566"	95.6681566666667	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2H+Na"	25.00377
"1266618"	295.034186	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+CH3OH+H"	33.033486
"387387"	562.964558	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+K"	38.963158
"749479"	824.965258	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+K"	38.963158
"1550439"	300.963858	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+K"	38.963158
"304334"	281.985917	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+H+K"	39.970434
"698942"	412.986267	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+H+K"	39.970434
"1454950"	150.985567	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H+K"	39.970434
"244644"	566.035226	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+ACN+H"	42.033826
"1216260"	304.034526	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+ACN+H"	42.033826
"1201239"	152.520901	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+ACN+2H"	43.041102
"196295"	568.97256	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+2Na-H"	44.97116
"639136"	830.97326	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+2Na-H"	44.97116
"1141547"	306.97186	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2Na-H"	44.97116
"176089"	284.989918	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+2Na"	45.978436
"614188"	415.990268	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+2Na"	45.978436
"1116475"	153.989568	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2Na"	45.978436
"1399147"	102.995470666667	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H+2Na"	46.985712
"1432246"	309.013446	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H+HCOOH"	47.012746
"221574"	290.02294	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+3H2O+2H"	56.04448
"1511461"	323.06549	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+IsoProp+H"	61.06479
"412611"	292.976888	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+Na+K"	61.952376
"776524"	423.977238	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+Na+K"	61.952376
"1669574"	161.976538	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Na+K"	61.952376
"261201"	588.017168	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+ACN+Na"	64.015768
"1237187"	326.016468	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+ACN+Na"	64.015768
"1723524"	326.039993	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+NH4+HCOOH"	64.039293
"1182686"	110.322784666667	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+3Na"	68.967654
"1652946"	330.995388	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Na+HCOOH"	68.994688
"157735"	600.92044	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+2K-H"	76.91904
"598638"	862.92114	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+2K-H"	76.91904
"1091173"	338.91974	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2K-H"	76.91904
"146167"	300.963858	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"2M+2K"	77.926316
"582807"	431.964208	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"3M+2K"	77.926316
"1068854"	169.963508	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2K"	77.926316
"1100770"	340.934292	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2K+H"	78.933592
"1336176"	341.021907	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+DMSO+H"	79.021207
"1006043"	345.061076	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2ACN+H"	83.060376
"1526484"	346.054708	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+IsoProp+Na+H"	84.054008
"992931"	173.034176	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+2ACN+2H"	84.067652
"1593995"	346.969328	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+K+HCOOH"	84.968628
"1421840"	377.000838	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+H+CF3COOH"	115.000138
"1151035"	193.547451	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+3ACN+2H"	125.094202
"1707154"	394.027385	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+NH4+CF3COOH"	132.026685
"1639524"	398.98278	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+Na+CF3COOH"	136.98208
"1572621"	414.95672	"C11811"	"1-Hydroxy-2-methyl-2-butenyl 4-diphosphate;(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate;(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate"	"C5H12O8P2"	"262.0007"	"M+K+CF3COOH"	152.95602
"813194"	382.1893	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M"	0
"977978"	363.17091	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-H2O-H"	-19.01839
"64397"	253.785590666667	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M-3H"	-3.021828
"507966"	381.182024	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M-3H"	-3.021828
"885768"	126.389157333333	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-3H"	-3.021828
"7622"	381.182024	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M-2H"	-2.014552
"440622"	572.276674	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M-2H"	-2.014552
"829371"	190.087374	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-2H"	-2.014552
"88269"	763.371324	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M-H"	-1.007276
"525638"	1145.560624	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M-H"	-1.007276
"897243"	381.182024	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-H"	-1.007276
"55630"	780.397871	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M-2H+NH4"	16.019271
"493002"	1162.587171	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M-2H+NH4"	16.019271
"874087"	398.208571	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-2H+NH4"	16.019271
"45268"	785.353266	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M-2H+Na"	20.974666
"475357"	1167.542566	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M-2H+Na"	20.974666
"856073"	403.163966	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-2H+Na"	20.974666
"1624516"	403.163966	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Na-2H"	20.974666
"98126"	399.170363	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M-H+Cl"	33.962126
"541696"	590.265013	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M-H+Cl"	33.962126
"936303"	208.075713	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-H+Cl"	33.962126
"274862"	799.348002	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+Cl"	34.969402
"663273"	1181.537302	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+Cl"	34.969402
"1279688"	417.158702	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Cl"	34.969402
"23341"	801.327206	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M-2H+K"	36.948606
"458892"	1183.516506	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M-2H+K"	36.948606
"835960"	419.137906	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-2H+K"	36.948606
"1557629"	419.137906	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+K-2H"	36.948606
"948795"	427.187494	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-H+HCOOH"	44.998194
"368103"	809.376801	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+HCOOH-H"	44.998201
"347976"	823.392451	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+Hac-H"	59.013851
"1495358"	441.203151	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Hac-H"	59.013851
"958637"	449.169451	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-H+NaCOOH"	66.980151
"122382"	417.158702	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+2Cl"	69.938804
"563041"	608.253352	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+2Cl"	69.938804
"1032205"	226.064052	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2Cl"	69.938804
"1251783"	461.108185	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Br"	78.918885
"1318118"	463.164172	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Cl+HCOOH"	80.974872
"1325167"	485.146129	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Cl+NaCOOH"	102.956829
"920601"	495.174886	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M-H+CF3COOH"	112.985586
"1297310"	531.151564	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Cl+CF3COOH"	148.962264
"1370002"	347.176624	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H-2H2O"	-35.012676
"1391874"	365.1866	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H-H2O"	-17.0027
"296664"	765.385876	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+H"	1.007276
"687993"	1147.575176	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+H"	1.007276
"1365801"	383.196576	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H"	1.007276
"140880"	383.196576	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+2H"	2.014552
"580442"	574.291226	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+2H"	2.014552
"1051063"	192.101926	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2H"	2.014552
"218477"	255.800142666667	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+3H"	3.021828
"659877"	383.196576	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+3H"	3.021828
"1178229"	128.403709333333	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+3H"	3.021828
"439316"	782.412423	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+NH4"	18.033823
"801276"	1164.601723	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+NH4"	18.033823
"1697002"	400.223123	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+NH4"	18.033823
"345486"	391.7098495	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+H+NH4"	19.041099
"738471"	582.8044995	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+H+NH4"	19.041099
"1491765"	200.6151995	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H+NH4"	19.041099
"408464"	787.367818	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+Na"	22.989218
"767794"	1169.557118	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+Na"	22.989218
"1618314"	405.178518	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Na"	22.989218
"329457"	394.187547	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+H+Na"	23.996494
"722524"	585.282197	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+H+Na"	23.996494
"1473992"	203.092897	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H+Na"	23.996494
"1060676"	135.731023333333	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2H+Na"	25.00377
"1265635"	415.222786	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+CH3OH+H"	33.033486
"385309"	803.341758	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+K"	38.963158
"748496"	1185.531058	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+K"	38.963158
"1547269"	421.152458	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+K"	38.963158
"304444"	402.174517	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+H+K"	39.970434
"699052"	593.269167	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+H+K"	39.970434
"1456153"	211.079867	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H+K"	39.970434
"244754"	806.412426	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+ACN+H"	42.033826
"1219650"	424.223126	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+ACN+H"	42.033826
"1201349"	212.615201	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+ACN+2H"	43.041102
"198593"	809.34976	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+2Na-H"	44.97116
"637060"	1191.53906	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+2Na-H"	44.97116
"1141657"	427.16046	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2Na-H"	44.97116
"176200"	405.178518	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+2Na"	45.978436
"613203"	596.273168	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+2Na"	45.978436
"1115734"	214.083868	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2Na"	45.978436
"1398570"	143.058337333333	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H+2Na"	46.985712
"1433083"	429.202046	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H+HCOOH"	47.012746
"222778"	410.21154	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+3H2O+2H"	56.04448
"1510843"	443.25409	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+H"	61.06479
"413085"	413.165488	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+Na+K"	61.952376
"774082"	604.260138	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+Na+K"	61.952376
"1670412"	222.070838	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Na+K"	61.952376
"261674"	828.394368	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+ACN+Na"	64.015768
"1237662"	446.205068	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+ACN+Na"	64.015768
"1719989"	446.228593	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+NH4+HCOOH"	64.039293
"1183161"	150.385651333333	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+3Na"	68.967654
"1653056"	451.183988	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Na+HCOOH"	68.994688
"158818"	841.29764	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+2K-H"	76.91904
"599478"	1223.48694	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+2K-H"	76.91904
"1094198"	459.10834	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2K-H"	76.91904
"148461"	421.152458	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"2M+2K"	77.926316
"583039"	612.247108	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"3M+2K"	77.926316
"1068884"	230.057808	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2K"	77.926316
"1101001"	461.122892	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2K+H"	78.933592
"1336411"	461.210507	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+DMSO+H"	79.021207
"1005708"	465.249676	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2ACN+H"	83.060376
"1528780"	466.243308	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+IsoProp+Na+H"	84.054008
"993406"	233.128476	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+2ACN+2H"	84.067652
"1591917"	467.157928	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+K+HCOOH"	84.968628
"1419763"	497.189438	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+H+CF3COOH"	115.000138
"1151144"	253.641751	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+3ACN+2H"	125.094202
"1705078"	514.215985	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+NH4+CF3COOH"	132.026685
"1642914"	519.17138	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+Na+CF3COOH"	136.98208
"1572731"	535.14532	"C11812"	"Lochnerinine"	"C22H26N2O4"	"382.1893"	"M+K+CF3COOH"	152.95602
"807837"	491.1791	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M"	0
"978088"	472.16071	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-H2O-H"	-19.01839
"64140"	326.445457333333	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M-3H"	-3.021828
"503702"	490.171824	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M-3H"	-3.021828
"882597"	162.719090666667	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-3H"	-3.021828
"4452"	490.171824	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M-2H"	-2.014552
"442919"	735.761374	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M-2H"	-2.014552
"829481"	244.582274	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-2H"	-2.014552
"90565"	981.350924	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M-H"	-1.007276
"525748"	1472.530024	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M-H"	-1.007276
"897231"	490.171824	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-H"	-1.007276
"56833"	998.377471	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M-2H+NH4"	16.019271
"492019"	1489.556571	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M-2H+NH4"	16.019271
"875290"	507.198371	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-2H+NH4"	16.019271
"45378"	1003.332866	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M-2H+Na"	20.974666
"475104"	1494.511966	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M-2H+Na"	20.974666
"853997"	512.153766	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-2H+Na"	20.974666
"1625719"	512.153766	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Na-2H"	20.974666
"97507"	508.160163	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M-H+Cl"	33.962126
"541806"	753.749713	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M-H+Cl"	33.962126
"936413"	262.570613	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-H+Cl"	33.962126
"273879"	1017.327602	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+Cl"	34.969402
"668488"	1508.506702	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+Cl"	34.969402
"1283079"	526.148502	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Cl"	34.969402
"23451"	1019.306806	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M-2H+K"	36.948606
"459731"	1510.485906	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M-2H+K"	36.948606
"835344"	528.127706	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-2H+K"	36.948606
"1556646"	528.127706	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+K-2H"	36.948606
"943433"	536.177294	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-H+HCOOH"	44.998194
"363472"	1027.356401	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+HCOOH-H"	44.998201
"346501"	1041.372051	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+Hac-H"	59.013851
"1496561"	550.192951	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Hac-H"	59.013851
"958948"	558.159251	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-H+NaCOOH"	66.980151
"122856"	526.148502	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+2Cl"	69.938804
"565460"	771.738052	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+2Cl"	69.938804
"1033408"	280.558952	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2Cl"	69.938804
"1251892"	570.097985	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Br"	78.918885
"1315433"	572.153972	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Cl+HCOOH"	80.974872
"1321996"	594.135929	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Cl+NaCOOH"	102.956829
"918524"	604.164686	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M-H+CF3COOH"	112.985586
"1296326"	640.141364	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Cl+CF3COOH"	148.962264
"1371206"	456.166424	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H-2H2O"	-35.012676
"1394537"	474.1764	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H-H2O"	-17.0027
"296046"	983.365476	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+H"	1.007276
"688470"	1474.544576	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+H"	1.007276
"1364091"	492.186376	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H"	1.007276
"139897"	492.186376	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+2H"	2.014552
"579826"	737.775926	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+2H"	2.014552
"1049713"	246.596826	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2H"	2.014552
"215061"	328.460009333333	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+3H"	3.021828
"658269"	492.186376	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+3H"	3.021828
"1176760"	164.733642666667	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+3H"	3.021828
"438210"	1000.392023	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+NH4"	18.033823
"798109"	1491.571123	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+NH4"	18.033823
"1695537"	509.212923	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+NH4"	18.033823
"345475"	500.6996495	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+H+NH4"	19.041099
"735866"	746.2891995	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+H+NH4"	19.041099
"1491146"	255.1100995	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H+NH4"	19.041099
"405085"	1005.347418	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+Na"	22.989218
"768271"	1496.526518	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+Na"	22.989218
"1615642"	514.168318	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Na"	22.989218
"328958"	503.177347	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+H+Na"	23.996494
"720282"	748.766897	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+H+Na"	23.996494
"1470822"	257.587797	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H+Na"	23.996494
"1057506"	172.060956666667	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2H+Na"	25.00377
"1263558"	524.212586	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+CH3OH+H"	33.033486
"388700"	1021.321358	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+K"	38.963158
"749698"	1512.500458	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+K"	38.963158
"1545192"	530.142258	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+K"	38.963158
"305649"	511.164317	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+H+K"	39.970434
"700255"	756.753867	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+H+K"	39.970434
"1455168"	265.574767	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H+K"	39.970434
"248144"	1024.392026	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+ACN+H"	42.033826
"1220855"	533.212926	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+ACN+H"	42.033826
"1202552"	267.110101	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+ACN+2H"	43.041102
"200890"	1027.32936	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+2Na-H"	44.97116
"637170"	1518.50846	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+2Na-H"	44.97116
"1138850"	536.15026	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2Na-H"	44.97116
"176310"	514.168318	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+2Na"	45.978436
"613354"	759.757868	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+2Na"	45.978436
"1115847"	268.578768	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2Na"	45.978436
"1400711"	179.388270666667	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H+2Na"	46.985712
"1433194"	538.191846	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H+HCOOH"	47.012746
"223983"	519.20134	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+3H2O+2H"	56.04448
"1512776"	552.24389	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+IsoProp+H"	61.06479
"411008"	522.155288	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+Na+K"	61.952376
"776015"	767.744838	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+Na+K"	61.952376
"1670158"	276.565738	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Na+K"	61.952376
"262877"	1046.373968	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+ACN+Na"	64.015768
"1239959"	555.194868	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+ACN+Na"	64.015768
"1723380"	555.218393	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+NH4+HCOOH"	64.039293
"1183271"	186.715584666667	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+3Na"	68.967654
"1653165"	560.173788	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Na+HCOOH"	68.994688
"158565"	1059.27724	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+2K-H"	76.91904
"601774"	1550.45634	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+2K-H"	76.91904
"1093943"	568.09814	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2K-H"	76.91904
"141884"	530.142258	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"2M+2K"	77.926316
"583757"	775.731808	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"3M+2K"	77.926316
"1070820"	284.552708	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2K"	77.926316
"1101356"	570.112692	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2K+H"	78.933592
"1335657"	570.200307	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+DMSO+H"	79.021207
"1007119"	574.239476	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2ACN+H"	83.060376
"1531076"	575.233108	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+IsoProp+Na+H"	84.054008
"991328"	287.623376	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+2ACN+2H"	84.067652
"1588746"	576.147728	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+K+HCOOH"	84.968628
"1419873"	606.179238	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+H+CF3COOH"	115.000138
"1147607"	308.136651	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+3ACN+2H"	125.094202
"1701908"	623.205785	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+NH4+CF3COOH"	132.026685
"1643024"	628.16118	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+Na+CF3COOH"	136.98208
"1572477"	644.13512	"C11813"	"Demethylalangiside"	"C24H29NO10"	"491.1791"	"M+K+CF3COOH"	152.95602
"807947"	491.1791	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M"	0
"978198"	472.16071	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-H2O-H"	-19.01839
"65345"	326.445457333333	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M-3H"	-3.021828
"510372"	490.171824	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M-3H"	-3.021828
"885988"	162.719090666667	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-3H"	-3.021828
"8936"	490.171824	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M-2H"	-2.014552
"445216"	735.761374	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M-2H"	-2.014552
"829591"	244.582274	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-2H"	-2.014552
"87395"	981.350924	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M-H"	-1.007276
"522942"	1472.530024	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M-H"	-1.007276
"896855"	490.171824	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-H"	-1.007276
"56943"	998.377471	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M-2H+NH4"	16.019271
"492129"	1489.556571	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M-2H+NH4"	16.019271
"877105"	507.198371	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-2H+NH4"	16.019271
"45367"	1003.332866	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M-2H+Na"	20.974666
"479581"	1494.511966	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M-2H+Na"	20.974666
"859573"	512.153766	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-2H+Na"	20.974666
"1624734"	512.153766	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Na-2H"	20.974666
"97981"	508.160163	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M-H+Cl"	33.962126
"541915"	753.749713	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M-H+Cl"	33.962126
"929962"	262.570613	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-H+Cl"	33.962126
"281160"	1017.327602	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+Cl"	34.969402
"671880"	1508.506702	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+Cl"	34.969402
"1287688"	526.148502	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Cl"	34.969402
"23561"	1019.306806	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M-2H+K"	36.948606
"459841"	1510.485906	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M-2H+K"	36.948606
"840921"	528.127706	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-2H+K"	36.948606
"1558945"	528.127706	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+K-2H"	36.948606
"944638"	536.177294	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-H+HCOOH"	44.998194
"365041"	1027.356401	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+HCOOH-H"	44.998201
"350017"	1041.372051	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+Hac-H"	59.013851
"1494849"	550.192951	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Hac-H"	59.013851
"958775"	558.159251	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-H+NaCOOH"	66.980151
"123695"	526.148502	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+2Cl"	69.938804
"564965"	771.738052	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+2Cl"	69.938804
"1032424"	280.558952	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2Cl"	69.938804
"1253096"	570.097985	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Br"	78.918885
"1315543"	572.153972	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Cl+HCOOH"	80.974872
"1322106"	594.135929	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Cl+NaCOOH"	102.956829
"915352"	604.164686	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M-H+CF3COOH"	112.985586
"1294248"	640.141364	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Cl+CF3COOH"	148.962264
"1374597"	456.166424	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H-2H2O"	-35.012676
"1395011"	474.1764	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H-H2O"	-17.0027
"296155"	983.365476	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+H"	1.007276
"690040"	1474.544576	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+H"	1.007276
"1365662"	492.186376	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H"	1.007276
"139276"	492.186376	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+2H"	2.014552
"578110"	737.775926	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+2H"	2.014552
"1043991"	246.596826	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2H"	2.014552
"211891"	328.460009333333	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+3H"	3.021828
"655460"	492.186376	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+3H"	3.021828
"1173951"	164.733642666667	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+3H"	3.021828
"438686"	1000.392023	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+NH4"	18.033823
"795667"	1491.571123	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+NH4"	18.033823
"1694915"	509.212923	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+NH4"	18.033823
"344775"	500.6996495	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+H+NH4"	19.041099
"736707"	746.2891995	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+H+NH4"	19.041099
"1489070"	255.1100995	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H+NH4"	19.041099
"406654"	1005.347418	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+Na"	22.989218
"765464"	1496.526518	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+Na"	22.989218
"1615022"	514.168318	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Na"	22.989218
"328337"	503.177347	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+H+Na"	23.996494
"720028"	748.766897	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+H+Na"	23.996494
"1468745"	257.587797	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H+Na"	23.996494
"1057616"	172.060956666667	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2H+Na"	25.00377
"1263668"	524.212586	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+CH3OH+H"	33.033486
"389903"	1021.321358	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+K"	38.963158
"748715"	1512.500458	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+K"	38.963158
"1549674"	530.142258	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+K"	38.963158
"306851"	511.164317	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+H+K"	39.970434
"700364"	756.753867	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+H+K"	39.970434
"1457465"	265.574767	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H+K"	39.970434
"244974"	1024.392026	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+ACN+H"	42.033826
"1218778"	533.212926	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+ACN+H"	42.033826
"1201570"	267.110101	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+ACN+2H"	43.041102
"199907"	1027.32936	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+2Na-H"	44.97116
"637280"	1518.50846	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+2Na-H"	44.97116
"1138960"	536.15026	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2Na-H"	44.97116
"173293"	514.168318	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+2Na"	45.978436
"613179"	759.757868	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+2Na"	45.978436
"1116809"	268.578768	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2Na"	45.978436
"1399240"	179.388270666667	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H+2Na"	46.985712
"1430098"	538.191846	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H+HCOOH"	47.012746
"223362"	519.20134	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+3H2O+2H"	56.04448
"1511064"	552.24389	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+IsoProp+H"	61.06479
"410747"	522.155288	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+Na+K"	61.952376
"774661"	767.744838	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+Na+K"	61.952376
"1665690"	276.565738	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Na+K"	61.952376
"259707"	1046.373968	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+ACN+Na"	64.015768
"1234602"	555.194868	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+ACN+Na"	64.015768
"1718385"	555.218393	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+NH4+HCOOH"	64.039293
"1179001"	186.715584666667	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+3Na"	68.967654
"1649874"	560.173788	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Na+HCOOH"	68.994688
"157143"	1059.27724	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+2K-H"	76.91904
"601884"	1550.45634	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+2K-H"	76.91904
"1091136"	568.09814	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2K-H"	76.91904
"141711"	530.142258	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"2M+2K"	77.926316
"581627"	775.731808	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"3M+2K"	77.926316
"1068696"	284.552708	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2K"	77.926316
"1099928"	570.112692	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2K+H"	78.933592
"1335650"	570.200307	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+DMSO+H"	79.021207
"1006012"	574.239476	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2ACN+H"	83.060376
"1524419"	575.233108	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+IsoProp+Na+H"	84.054008
"990111"	287.623376	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+2ACN+2H"	84.067652
"1587150"	576.147728	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+K+HCOOH"	84.968628
"1416703"	606.179238	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+H+CF3COOH"	115.000138
"1147350"	308.136651	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+3ACN+2H"	125.094202
"1707485"	623.205785	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+NH4+CF3COOH"	132.026685
"1643134"	628.16118	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+Na+CF3COOH"	136.98208
"1572587"	644.13512	"C11814"	"Demethylisoalangiside"	"C24H29NO10"	"491.1791"	"M+K+CF3COOH"	152.95602
"804777"	505.1948	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M"	0
"975149"	486.17641	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-H2O-H"	-19.01839
"64362"	335.789257333333	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M-3H"	-3.021828
"510482"	504.187524	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M-3H"	-3.021828
"889378"	167.390990666667	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-3H"	-3.021828
"10139"	504.187524	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M-2H"	-2.014552
"444233"	756.784924	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M-2H"	-2.014552
"832011"	251.590124	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-2H"	-2.014552
"88598"	1009.382324	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M-H"	-1.007276
"522323"	1514.577124	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M-H"	-1.007276
"900488"	504.187524	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-H"	-1.007276
"57053"	1026.408871	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M-2H+NH4"	16.019271
"491146"	1531.603671	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M-2H+NH4"	16.019271
"875513"	521.214071	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-2H+NH4"	16.019271
"41225"	1031.364266	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M-2H+Na"	20.974666
"480784"	1536.559066	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M-2H+Na"	20.974666
"861870"	526.169466	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-2H+Na"	20.974666
"1624844"	526.169466	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Na-2H"	20.974666
"102466"	522.175863	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M-H+Cl"	33.962126
"542025"	774.773263	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M-H+Cl"	33.962126
"928979"	269.578463	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-H+Cl"	33.962126
"282246"	1045.359002	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+Cl"	34.969402
"668706"	1550.553802	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+Cl"	34.969402
"1287926"	540.164202	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Cl"	34.969402
"22576"	1047.338206	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M-2H+K"	36.948606
"463231"	1552.533006	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M-2H+K"	36.948606
"841031"	542.143406	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-2H+K"	36.948606
"1561242"	542.143406	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+K-2H"	36.948606
"945842"	550.192994	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-H+HCOOH"	44.998194
"365151"	1055.387801	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+HCOOH-H"	44.998201
"350127"	1069.403451	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+Hac-H"	59.013851
"1497874"	564.208651	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Hac-H"	59.013851
"958964"	572.174951	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-H+NaCOOH"	66.980151
"123805"	540.164202	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+2Cl"	69.938804
"564912"	792.761602	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+2Cl"	69.938804
"1029254"	287.566802	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2Cl"	69.938804
"1252112"	584.113685	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Br"	78.918885
"1313466"	586.169672	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Cl+HCOOH"	80.974872
"1324403"	608.151629	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Cl+NaCOOH"	102.956829
"918744"	618.180386	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M-H+CF3COOH"	112.985586
"1294358"	654.157064	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Cl+CF3COOH"	148.962264
"1374707"	470.182124	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H-2H2O"	-35.012676
"1394391"	488.1921	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H-H2O"	-17.0027
"295172"	1011.396876	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+H"	1.007276
"690147"	1516.591676	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+H"	1.007276
"1365044"	506.202076	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H"	1.007276
"140114"	506.202076	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+2H"	2.014552
"572022"	758.799476	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+2H"	2.014552
"1047382"	253.604676	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2H"	2.014552
"212002"	337.803809333333	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+3H"	3.021828
"655935"	506.202076	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+3H"	3.021828
"1175154"	169.405542666667	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+3H"	3.021828
"438913"	1028.423423	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+NH4"	18.033823
"799421"	1533.618223	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+NH4"	18.033823
"1694660"	523.228623	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+NH4"	18.033823
"345007"	514.7153495	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+H+NH4"	19.041099
"737179"	767.3127495	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+H+NH4"	19.041099
"1490272"	262.1179495	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H+NH4"	19.041099
"403483"	1033.378818	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+Na"	22.989218
"766667"	1538.573618	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+Na"	22.989218
"1617681"	528.184018	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Na"	22.989218
"329058"	517.193047	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+H+Na"	23.996494
"722085"	769.790447	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+H+Na"	23.996494
"1467762"	264.595647	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H+Na"	23.996494
"1056632"	176.732856666667	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2H+Na"	25.00377
"1263778"	538.228286	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+CH3OH+H"	33.033486
"390380"	1049.352758	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+K"	38.963158
"747731"	1554.547558	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+K"	38.963158
"1549783"	544.157958	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+K"	38.963158
"306960"	525.180017	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+H+K"	39.970434
"698287"	777.777417	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+H+K"	39.970434
"1456483"	272.582617	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H+K"	39.970434
"243991"	1052.423426	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+ACN+H"	42.033826
"1219982"	547.228626	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+ACN+H"	42.033826
"1198399"	274.117951	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+ACN+2H"	43.041102
"198924"	1055.36076	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+2Na-H"	44.97116
"637390"	1560.55556	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+2Na-H"	44.97116
"1140893"	550.16596	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2Na-H"	44.97116
"172902"	528.184018	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+2Na"	45.978436
"614630"	780.781418	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+2Na"	45.978436
"1115939"	275.586618	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2Na"	45.978436
"1398615"	184.060170666667	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H+2Na"	46.985712
"1429916"	552.207546	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H+HCOOH"	47.012746
"220303"	533.21704	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+3H2O+2H"	56.04448
"1509716"	566.25959	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+IsoProp+H"	61.06479
"408548"	536.170988	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+Na+K"	61.952376
"769943"	788.768388	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+Na+K"	61.952376
"1666731"	283.573588	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Na+K"	61.952376
"262004"	1074.405368	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+ACN+Na"	64.015768
"1233619"	569.210568	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+ACN+Na"	64.015768
"1719226"	569.234093	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+NH4+HCOOH"	64.039293
"1183850"	191.387484666667	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+3Na"	68.967654
"1650828"	574.189488	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Na+HCOOH"	68.994688
"158538"	1087.30864	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+2K-H"	76.91904
"597108"	1592.50344	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+2K-H"	76.91904
"1090882"	582.11384	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2K-H"	76.91904
"141819"	544.157958	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"2M+2K"	77.926316
"581699"	796.755358	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"3M+2K"	77.926316
"1070675"	291.560558	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2K"	77.926316
"1101698"	584.128392	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2K+H"	78.933592
"1336497"	584.216007	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+DMSO+H"	79.021207
"1006733"	588.255176	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2ACN+H"	83.060376
"1524733"	589.248808	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+IsoProp+Na+H"	84.054008
"990695"	294.631226	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+2ACN+2H"	84.067652
"1587385"	590.163428	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+K+HCOOH"	84.968628
"1414990"	620.194938	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+H+CF3COOH"	115.000138
"1147462"	315.144501	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+3ACN+2H"	125.094202
"1708688"	637.221485	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+NH4+CF3COOH"	132.026685
"1643244"	642.17688	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+Na+CF3COOH"	136.98208
"1573426"	658.15082	"C11815"	"Isoalangiside"	"C25H31NO10"	"505.1948"	"M+K+CF3COOH"	152.95602
"808167"	317.1991	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M"	0
"978418"	298.18071	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-H2O-H"	-19.01839
"71032"	210.458790666667	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M-3H"	-3.021828
"509499"	316.191824	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M-3H"	-3.021828
"889488"	104.725757333333	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-3H"	-3.021828
"13530"	316.191824	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M-2H"	-2.014552
"448716"	474.791374	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M-2H"	-2.014552
"827625"	157.592274	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-2H"	-2.014552
"88709"	633.390924	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M-H"	-1.007276
"522433"	950.590024	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M-H"	-1.007276
"897075"	316.191824	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-H"	-1.007276
"54977"	650.417471	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M-2H+NH4"	16.019271
"492349"	967.616571	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M-2H+NH4"	16.019271
"866138"	333.218371	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-2H+NH4"	16.019271
"40242"	655.372866	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M-2H+Na"	20.974666
"479801"	972.571966	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M-2H+Na"	20.974666
"861980"	338.173766	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-2H+Na"	20.974666
"1622767"	338.173766	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Na-2H"	20.974666
"96379"	334.180163	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M-H+Cl"	33.962126
"538855"	492.779713	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M-H+Cl"	33.962126
"928722"	175.580613	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-H+Cl"	33.962126
"282352"	669.367602	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+Cl"	34.969402
"665536"	986.566702	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+Cl"	34.969402
"1288196"	352.168502	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Cl"	34.969402
"22686"	671.346806	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M-2H+K"	36.948606
"463341"	988.545906	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M-2H+K"	36.948606
"837861"	354.147706	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-2H+K"	36.948606
"1558071"	354.147706	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+K-2H"	36.948606
"952512"	362.197294	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-H+HCOOH"	44.998194
"368540"	679.396401	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+HCOOH-H"	44.998201
"352058"	693.412051	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+Hac-H"	59.013851
"1495797"	376.212951	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Hac-H"	59.013851
"959074"	384.179251	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-H+NaCOOH"	66.980151
"123915"	352.168502	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+2Cl"	69.938804
"565304"	510.768052	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+2Cl"	69.938804
"1033738"	193.568952	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2Cl"	69.938804
"1254410"	396.117985	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Br"	78.918885
"1316856"	398.173972	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Cl+HCOOH"	80.974872
"1328889"	420.155929	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Cl+NaCOOH"	102.956829
"915574"	430.184686	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M-H+CF3COOH"	112.985586
"1296655"	466.161364	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Cl+CF3COOH"	148.962264
"1379191"	282.186424	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H-2H2O"	-35.012676
"1395595"	300.1964	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H-H2O"	-17.0027
"297472"	635.405476	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+H"	1.007276
"690987"	952.604576	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+H"	1.007276
"1365516"	318.206376	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H"	1.007276
"139860"	318.206376	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+2H"	2.014552
"575413"	476.805926	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+2H"	2.014552
"1047493"	159.606826	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2H"	2.014552
"212112"	212.473342666667	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+3H"	3.021828
"656045"	318.206376	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+3H"	3.021828
"1176848"	106.740309333333	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+3H"	3.021828
"438662"	652.432023	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+NH4"	18.033823
"800632"	969.631123	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+NH4"	18.033823
"1696229"	335.232923	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+NH4"	18.033823
"345520"	326.7196495	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+H+NH4"	19.041099
"734373"	485.3191995	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+H+NH4"	19.041099
"1490749"	168.1200995	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H+NH4"	19.041099
"402500"	657.387418	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+Na"	22.989218
"767870"	974.586518	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+Na"	22.989218
"1617998"	340.188318	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Na"	22.989218
"329410"	329.197347	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+H+Na"	23.996494
"721708"	487.796897	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+H+Na"	23.996494
"1465685"	170.597797	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H+Na"	23.996494
"1057835"	114.067623333333	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2H+Na"	25.00377
"1263888"	350.232586	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+CH3OH+H"	33.033486
"389027"	673.361358	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+K"	38.963158
"748934"	990.560458	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+K"	38.963158
"1548800"	356.162258	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+K"	38.963158
"304883"	337.184317	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+H+K"	39.970434
"699491"	495.783867	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+H+K"	39.970434
"1457686"	178.584767	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H+K"	39.970434
"244102"	676.432026	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+ACN+H"	42.033826
"1218997"	359.232926	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+ACN+H"	42.033826
"1201790"	180.120101	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+ACN+2H"	43.041102
"197940"	679.36936	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+2Na-H"	44.97116
"635312"	996.56846	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+2Na-H"	44.97116
"1139909"	362.17026	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2Na-H"	44.97116
"174205"	340.188318	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+2Na"	45.978436
"615469"	498.787868	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+2Na"	45.978436
"1116781"	181.588768	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2Na"	45.978436
"1399700"	121.394937333333	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H+2Na"	46.985712
"1430603"	364.211846	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H+HCOOH"	47.012746
"220576"	345.22134	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+3H2O+2H"	56.04448
"1512013"	378.26389	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+IsoProp+H"	61.06479
"408773"	348.175288	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+Na+K"	61.952376
"770983"	506.774838	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+Na+K"	61.952376
"1668665"	189.575738	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Na+K"	61.952376
"261021"	698.413968	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+ACN+Na"	64.015768
"1237009"	381.214868	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+ACN+Na"	64.015768
"1722616"	381.238393	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+NH4+HCOOH"	64.039293
"1185784"	128.722251333333	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+3Na"	68.967654
"1652759"	386.193788	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Na+HCOOH"	68.994688
"158894"	711.31724	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+2K-H"	76.91904
"597398"	1028.51634	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+2K-H"	76.91904
"1088805"	394.11814	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2K-H"	76.91904
"141648"	356.162258	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"2M+2K"	77.926316
"581459"	514.761808	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"3M+2K"	77.926316
"1070785"	197.562708	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2K"	77.926316
"1101078"	396.132692	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2K+H"	78.933592
"1335753"	396.220307	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+DMSO+H"	79.021207
"1008300"	400.259476	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2ACN+H"	83.060376
"1526060"	401.253108	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+IsoProp+Na+H"	84.054008
"990197"	200.633376	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+2ACN+2H"	84.067652
"1587494"	402.167728	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+K+HCOOH"	84.968628
"1415829"	432.199238	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+H+CF3COOH"	115.000138
"1149398"	221.146651	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+3ACN+2H"	125.094202
"1708798"	449.225785	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+NH4+CF3COOH"	132.026685
"1643354"	454.18118	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+Na+CF3COOH"	136.98208
"1572443"	470.15512	"C11816"	"Protoemetine"	"C19H27NO3"	"317.1991"	"M+K+CF3COOH"	152.95602
"808277"	459.2886	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M"	0
"975248"	440.27021	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-H2O-H"	-19.01839
"66768"	305.185124	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M-3H"	-3.021828
"508516"	458.281324	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M-3H"	-3.021828
"886318"	152.088924	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-3H"	-3.021828
"10360"	458.281324	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M-2H"	-2.014552
"445546"	687.925624	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M-2H"	-2.014552
"829921"	228.637024	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-2H"	-2.014552
"88816"	917.569924	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M-H"	-1.007276
"522179"	1376.858524	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M-H"	-1.007276
"899616"	458.281324	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-H"	-1.007276
"52900"	934.596471	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M-2H+NH4"	16.019271
"491366"	1393.885071	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M-2H+NH4"	16.019271
"866127"	475.307871	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-2H+NH4"	16.019271
"41445"	939.551866	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M-2H+Na"	20.974666
"476631"	1398.840466	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M-2H+Na"	20.974666
"862090"	480.263266	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-2H+Na"	20.974666
"1622877"	480.263266	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Na-2H"	20.974666
"97218"	476.269663	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M-H+Cl"	33.962126
"538965"	705.913963	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M-H+Cl"	33.962126
"928468"	246.625363	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-H+Cl"	33.962126
"282543"	953.546602	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+Cl"	34.969402
"666739"	1412.835202	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+Cl"	34.969402
"1288451"	494.258002	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Cl"	34.969402
"22795"	955.525806	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M-2H+K"	36.948606
"459075"	1414.814406	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M-2H+K"	36.948606
"841249"	496.237206	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-2H+K"	36.948606
"1562553"	496.237206	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+K-2H"	36.948606
"947155"	504.286794	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-H+HCOOH"	44.998194
"369743"	963.575401	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+HCOOH-H"	44.998201
"352532"	977.591051	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+Hac-H"	59.013851
"1501374"	518.302451	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Hac-H"	59.013851
"959436"	526.268751	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-H+NaCOOH"	66.980151
"112356"	494.258002	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+2Cl"	69.938804
"564317"	723.902302	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+2Cl"	69.938804
"1036645"	264.613702	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2Cl"	69.938804
"1255978"	538.207485	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Br"	78.918885
"1316966"	540.263472	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Cl+HCOOH"	80.974872
"1331185"	562.245429	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Cl+NaCOOH"	102.956829
"920056"	572.274186	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M-H+CF3COOH"	112.985586
"1297858"	608.250864	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Cl+CF3COOH"	148.962264
"1380394"	424.275924	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H-2H2O"	-35.012676
"1397409"	442.2859	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H-H2O"	-17.0027
"296486"	919.584476	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+H"	1.007276
"690730"	1378.873076	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+H"	1.007276
"1365259"	460.295876	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H"	1.007276
"139969"	460.295876	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+2H"	2.014552
"576617"	689.940176	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+2H"	2.014552
"1046509"	230.651576	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2H"	2.014552
"215502"	307.199676	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+3H"	3.021828
"658707"	460.295876	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+3H"	3.021828
"1177932"	154.103476	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+3H"	3.021828
"439381"	936.611023	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+NH4"	18.033823
"800985"	1395.899623	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+NH4"	18.033823
"1695976"	477.322423	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+NH4"	18.033823
"344619"	468.8091495	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+H+NH4"	19.041099
"734483"	698.4534495	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+H+NH4"	19.041099
"1489035"	239.1648495	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H+NH4"	19.041099
"398236"	941.566418	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+Na"	22.989218
"762513"	1400.855018	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+Na"	22.989218
"1614621"	482.277818	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Na"	22.989218
"326115"	471.286847	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+H+Na"	23.996494
"714163"	700.931147	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+H+Na"	23.996494
"1467982"	241.642547	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H+Na"	23.996494
"1056852"	161.43079	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2H+Na"	25.00377
"1259624"	492.322086	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+CH3OH+H"	33.033486
"390597"	957.540358	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+K"	38.963158
"750138"	1416.828958	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+K"	38.963158
"1548910"	498.251758	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+K"	38.963158
"304993"	479.273817	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+H+K"	39.970434
"697414"	708.918117	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+H+K"	39.970434
"1458888"	249.629517	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H+K"	39.970434
"246399"	960.611026	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+ACN+H"	42.033826
"1219107"	501.322426	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+ACN+H"	42.033826
"1201899"	251.164851	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+ACN+2H"	43.041102
"198051"	963.54836	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+2Na-H"	44.97116
"638337"	1422.83696	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+2Na-H"	44.97116
"1141112"	504.25976	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2Na-H"	44.97116
"173503"	482.277818	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+2Na"	45.978436
"614119"	711.922118	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+2Na"	45.978436
"1116528"	252.633518	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2Na"	45.978436
"1400174"	168.758104	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H+2Na"	46.985712
"1430426"	506.301346	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H+HCOOH"	47.012746
"220647"	487.31084	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+3H2O+2H"	56.04448
"1509814"	520.35339	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+IsoProp+H"	61.06479
"409245"	490.264788	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+Na+K"	61.952376
"770486"	719.909088	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+Na+K"	61.952376
"1669139"	260.620488	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Na+K"	61.952376
"262224"	982.592968	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+ACN+Na"	64.015768
"1232016"	523.304368	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+ACN+Na"	64.015768
"1719079"	523.327893	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+NH4+HCOOH"	64.039293
"1183342"	176.085418	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+3Na"	68.967654
"1653602"	528.283288	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Na+HCOOH"	68.994688
"159370"	995.49624	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+2K-H"	76.91904
"598562"	1454.78484	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+2K-H"	76.91904
"1090008"	536.20764	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2K-H"	76.91904
"141835"	498.251758	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"2M+2K"	77.926316
"582000"	727.896058	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"3M+2K"	77.926316
"1070895"	268.607458	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2K"	77.926316
"1101918"	538.222192	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2K+H"	78.933592
"1336228"	538.309807	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+DMSO+H"	79.021207
"1006584"	542.348976	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2ACN+H"	83.060376
"1526049"	543.342608	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+IsoProp+Na+H"	84.054008
"990912"	271.678126	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+2ACN+2H"	84.067652
"1587722"	544.257228	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+K+HCOOH"	84.968628
"1415694"	574.288738	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+H+CF3COOH"	115.000138
"1149508"	292.191401	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+3ACN+2H"	125.094202
"1708908"	591.315285	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+NH4+CF3COOH"	132.026685
"1644557"	596.27068	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+Na+CF3COOH"	136.98208
"1572553"	612.24462	"C11817"	"Deoxytubulosine"	"C29H37N3O2"	"459.2886"	"M+K+CF3COOH"	152.95602
"811667"	339.1471	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M"	0
"985198"	320.12871	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"71252"	225.090790666667	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"511906"	338.139824	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"892988"	112.041757333333	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"10470"	338.139824	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"451123"	507.713374	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"830031"	168.566274	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"88926"	677.286924	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"524474"	1016.434024	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"900819"	338.139824	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"48996"	694.313471	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"492569"	1033.460571	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"867089"	355.166371	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"41555"	699.268866	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"476741"	1038.415966	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"858920"	360.121766	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1625174"	360.121766	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"98422"	356.128163	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"539075"	525.701713	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"929309"	186.554613	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"273335"	713.263602	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"665756"	1052.410702	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1285815"	374.116502	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"22906"	715.242806	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"459186"	1054.389906	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"838079"	376.095706	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1556465"	376.095706	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"947265"	384.145294	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"366573"	723.292401	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"351549"	737.308051	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1501484"	398.160951	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"964650"	406.127251	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"115746"	374.116502	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"564872"	543.690052	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1035052"	204.542952	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1256580"	418.065985	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1317076"	420.121972	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1329108"	442.103929	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"922352"	452.132686	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1295779"	488.109364	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1378316"	304.134424	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1396426"	322.1444	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"296230"	679.301476	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"690110"	1018.448576	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1365005"	340.154376	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"140805"	340.154376	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"578186"	509.727926	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1045525"	170.580826	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"215612"	227.105342666667	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"656265"	340.154376	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1177794"	114.056309333333	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"439735"	696.328023	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"801052"	1035.475123	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1695354"	357.180923	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"345426"	348.6676495	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"734593"	518.2411995	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1487321"	179.0940995	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"398346"	701.283418	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"762623"	1040.430518	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1615095"	362.136318	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"327319"	351.145347	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"721810"	520.718897	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1466999"	181.571797	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1055868"	121.383623333333	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1259734"	372.180586	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"387066"	717.257358	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"748060"	1056.404458	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1545739"	378.110258	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"302915"	359.132317	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"697524"	528.705867	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1454624"	189.558767	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"245413"	720.328026	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1215935"	381.180926	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1203832"	191.094101	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"198158"	723.26536	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"638811"	1062.41246	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1140129"	384.11826	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"173128"	362.136318	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"614351"	531.709868	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1116759"	192.562768	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1399920"	128.710937333333	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1432283"	386.159846	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"221612"	367.16934	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1509559"	400.21189	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"410457"	370.123288	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"772182"	539.696838	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1670339"	200.549738	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"256866"	742.309968	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1231761"	403.162868	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1715179"	403.186393	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1181993"	136.038251333333	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1655898"	408.141788	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"158139"	755.21324	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"597691"	1094.36034	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1090118"	416.06614	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"141824"	378.110258	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"581905"	547.683808	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1071005"	208.536708	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1103121"	418.080692	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1336009"	418.168307	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1009127"	422.207476	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1528346"	423.201108	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"994794"	211.607376	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1593669"	424.115728	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1416289"	454.147238	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1149618"	232.120651	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1712298"	471.173785	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1644667"	476.12918	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1574850"	492.10312	"C11818"	"(R)-Canadine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"815058"	286.1317	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M"	0
"978749"	267.11331	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H2O-H"	-19.01839
"69176"	189.747190666667	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-3H"	-3.021828
"513109"	285.124424	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-3H"	-3.021828
"890913"	94.3699573333333	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-3H"	-3.021828
"11675"	285.124424	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H"	-2.014552
"452327"	428.190274	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H"	-2.014552
"830142"	142.058574	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H"	-2.014552
"86851"	571.256124	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-H"	-1.007276
"526409"	857.387824	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-H"	-1.007276
"904209"	285.124424	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H"	-1.007276
"49836"	588.282671	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H+NH4"	16.019271
"488054"	874.414371	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H+NH4"	16.019271
"864641"	302.150971	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H+NH4"	16.019271
"40572"	593.238066	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H+Na"	20.974666
"479039"	879.369766	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H+Na"	20.974666
"859030"	307.106366	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H+Na"	20.974666
"1627472"	307.106366	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na-2H"	20.974666
"101812"	303.112763	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-H+Cl"	33.962126
"542465"	446.178613	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-H+Cl"	33.962126
"929419"	160.046913	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+Cl"	33.962126
"273445"	607.232802	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Cl"	34.969402
"665866"	893.364502	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+Cl"	34.969402
"1284832"	321.101102	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl"	34.969402
"23016"	609.212006	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M-2H+K"	36.948606
"460390"	895.343706	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M-2H+K"	36.948606
"836002"	323.080306	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-2H+K"	36.948606
"1561679"	323.080306	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K-2H"	36.948606
"944088"	331.129894	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+HCOOH"	44.998194
"363031"	617.261601	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+HCOOH-H"	44.998201
"346674"	631.277251	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Hac-H"	59.013851
"1494060"	345.145551	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Hac-H"	59.013851
"963666"	353.111851	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+NaCOOH"	66.980151
"113667"	321.101102	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2Cl"	69.938804
"564172"	464.166952	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2Cl"	69.938804
"1026407"	178.035252	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2Cl"	69.938804
"1247079"	365.050585	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Br"	78.918885
"1316822"	367.106572	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl+HCOOH"	80.974872
"1331405"	389.088529	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl+NaCOOH"	102.956829
"922463"	399.117286	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M-H+CF3COOH"	112.985586
"1299171"	435.093964	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Cl+CF3COOH"	148.962264
"1377333"	251.119024	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H-2H2O"	-35.012676
"1396658"	269.129	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H-H2O"	-17.0027
"296342"	573.270676	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H"	1.007276
"688032"	859.402376	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H"	1.007276
"1364751"	287.138976	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H"	1.007276
"140187"	287.138976	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2H"	2.014552
"576837"	430.204826	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2H"	2.014552
"1047458"	144.073126	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2H"	2.014552
"212442"	191.761742666667	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+3H"	3.021828
"657468"	287.138976	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+3H"	3.021828
"1176688"	96.3845093333334	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+3H"	3.021828
"438994"	590.297223	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+NH4"	18.033823
"799866"	876.428923	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+NH4"	18.033823
"1694005"	304.165523	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+NH4"	18.033823
"344838"	295.6522495	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H+NH4"	19.041099
"731423"	438.7180995	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H+NH4"	19.041099
"1486338"	152.5863995	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+NH4"	19.041099
"395176"	595.252618	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Na"	22.989218
"762733"	881.384318	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+Na"	22.989218
"1609738"	309.120918	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na"	22.989218
"320867"	298.129947	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H+Na"	23.996494
"713288"	441.195797	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H+Na"	23.996494
"1462003"	155.064097	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+Na"	23.996494
"1055246"	103.711823333333	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2H+Na"	25.00377
"1257769"	319.165186	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+CH3OH+H"	33.033486
"384626"	611.226558	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+K"	38.963158
"748167"	897.358258	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+K"	38.963158
"1548036"	325.094858	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K"	38.963158
"305213"	306.116917	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+H+K"	39.970434
"699821"	449.182767	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+H+K"	39.970434
"1451454"	163.051067	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+K"	39.970434
"244430"	614.297226	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+ACN+H"	42.033826
"1217138"	328.165526	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+ACN+H"	42.033826
"1203211"	164.586401	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+ACN+2H"	43.041102
"197175"	617.23456	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2Na-H"	44.97116
"638921"	903.36626	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2Na-H"	44.97116
"1138051"	331.10286	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2Na-H"	44.97116
"173199"	309.120918	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2Na"	45.978436
"613614"	452.186768	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2Na"	45.978436
"1116750"	166.055068	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2Na"	45.978436
"1399913"	111.039137333333	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+2Na"	46.985712
"1430572"	333.144446	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+HCOOH"	47.012746
"221725"	314.15394	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+3H2O+2H"	56.04448
"1510521"	347.19649	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+IsoProp+H"	61.06479
"414214"	317.107888	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+Na+K"	61.952376
"771928"	460.173738	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+Na+K"	61.952376
"1670449"	174.042038	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na+K"	61.952376
"255516"	636.279168	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+ACN+Na"	64.015768
"1230778"	350.147468	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+ACN+Na"	64.015768
"1717112"	350.170993	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+NH4+HCOOH"	64.039293
"1182103"	118.366451333333	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+3Na"	68.967654
"1657101"	355.126388	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na+HCOOH"	68.994688
"162870"	649.18244	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2K-H"	76.91904
"597236"	935.31414	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2K-H"	76.91904
"1086945"	363.05074	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2K-H"	76.91904
"142663"	325.094858	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"2M+2K"	77.926316
"581772"	468.160708	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"3M+2K"	77.926316
"1072208"	182.029008	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2K"	77.926316
"1104324"	365.065292	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2K+H"	78.933592
"1336084"	365.152907	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+DMSO+H"	79.021207
"1010330"	369.192076	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2ACN+H"	83.060376
"1525297"	370.185708	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+IsoProp+Na+H"	84.054008
"993810"	185.099676	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+2ACN+2H"	84.067652
"1593779"	371.100328	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K+HCOOH"	84.968628
"1417252"	401.131838	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+H+CF3COOH"	115.000138
"1149728"	205.612951	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+3ACN+2H"	125.094202
"1702567"	418.158385	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+NH4+CF3COOH"	132.026685
"1645871"	423.11378	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+Na+CF3COOH"	136.98208
"1576053"	439.08772	"C11819"	"Cromakalim"	"C16H18N2O3"	"286.1317"	"M+K+CF3COOH"	152.95602
"814804"	195.0895	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M"	0
"982139"	176.07111	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-H2O-H"	-19.01839
"70379"	129.052390666667	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M-3H"	-3.021828
"515406"	194.082224	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M-3H"	-3.021828
"892116"	64.0225573333333	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-3H"	-3.021828
"9598"	194.082224	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H"	-2.014552
"453530"	291.626974	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H"	-2.014552
"830861"	96.537474	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H"	-2.014552
"86962"	389.171724	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M-H"	-1.007276
"527613"	584.261224	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M-H"	-1.007276
"904319"	194.082224	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-H"	-1.007276
"52133"	406.198271	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+NH4"	16.019271
"488531"	601.287771	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+NH4"	16.019271
"866212"	211.108771	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H+NH4"	16.019271
"42869"	411.153666	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+Na"	20.974666
"480242"	606.243166	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+Na"	20.974666
"859140"	216.064166	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H+Na"	20.974666
"1624301"	216.064166	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na-2H"	20.974666
"96818"	212.070563	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M-H+Cl"	33.962126
"541482"	309.615313	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M-H+Cl"	33.962126
"932080"	114.525813	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+Cl"	33.962126
"272462"	425.148402	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Cl"	34.969402
"665247"	620.237902	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+Cl"	34.969402
"1281662"	230.058902	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl"	34.969402
"24220"	427.127606	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+K"	36.948606
"460500"	622.217106	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+K"	36.948606
"837207"	232.038106	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H+K"	36.948606
"1561789"	232.038106	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+K-2H"	36.948606
"943834"	240.087694	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+HCOOH"	44.998194
"362126"	435.177201	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+HCOOH-H"	44.998201
"345805"	449.192851	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Hac-H"	59.013851
"1497329"	254.103351	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Hac-H"	59.013851
"965964"	262.069651	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+NaCOOH"	66.980151
"121431"	230.058902	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2Cl"	69.938804
"563553"	327.603652	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2Cl"	69.938804
"1026518"	132.514152	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2Cl"	69.938804
"1247189"	274.008385	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Br"	78.918885
"1314011"	276.064372	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+HCOOH"	80.974872
"1332608"	298.046329	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+NaCOOH"	102.956829
"922574"	308.075086	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+CF3COOH"	112.985586
"1300374"	344.051764	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+CF3COOH"	148.962264
"1377443"	160.076824	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H-2H2O"	-35.012676
"1397132"	178.0868	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H-H2O"	-17.0027
"295724"	391.186276	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H"	1.007276
"688507"	586.275776	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H"	1.007276
"1365224"	196.096776	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H"	1.007276
"139934"	196.096776	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2H"	2.014552
"574759"	293.641526	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2H"	2.014552
"1044651"	98.552026	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2H"	2.014552
"215831"	131.066942666667	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+3H"	3.021828
"656485"	196.096776	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+3H"	3.021828
"1177164"	66.0371093333333	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+3H"	3.021828
"439341"	408.212823	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+NH4"	18.033823
"799974"	603.302323	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+NH4"	18.033823
"1695208"	213.123323	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+NH4"	18.033823
"342393"	204.6100495	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H+NH4"	19.041099
"734813"	302.1547995	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H+NH4"	19.041099
"1488635"	107.0652995	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+NH4"	19.041099
"397473"	413.168218	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Na"	22.989218
"762843"	608.257718	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+Na"	22.989218
"1608755"	218.078718	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na"	22.989218
"319884"	207.087747	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H+Na"	23.996494
"713398"	304.632497	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H+Na"	23.996494
"1465030"	109.542997	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+Na"	23.996494
"1054627"	73.3644233333333	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2H+Na"	25.00377
"1258728"	228.122986	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+CH3OH+H"	33.033486
"386194"	429.142158	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+K"	38.963158
"744998"	624.231658	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+K"	38.963158
"1550334"	234.052658	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+K"	38.963158
"306417"	215.074717	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H+K"	39.970434
"701025"	312.619467	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H+K"	39.970434
"1455939"	117.529967	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+K"	39.970434
"246727"	432.212826	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+ACN+H"	42.033826
"1219435"	237.123326	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+H"	42.033826
"1204780"	119.065301	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+2H"	43.041102
"199107"	435.15016	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2Na-H"	44.97116
"640124"	630.23966	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2Na-H"	44.97116
"1137068"	240.06066	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2Na-H"	44.97116
"175259"	218.078718	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2Na"	45.978436
"618828"	315.623468	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2Na"	45.978436
"1117590"	120.533968	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2Na"	45.978436
"1399780"	80.6917373333333	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+2Na"	46.985712
"1431775"	242.102246	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+HCOOH"	47.012746
"227668"	223.11174	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+3H2O+2H"	56.04448
"1512454"	256.15429	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+H"	61.06479
"417605"	226.065688	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Na+K"	61.952376
"777505"	323.610438	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+Na+K"	61.952376
"1668366"	128.520938	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na+K"	61.952376
"254169"	454.194768	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+ACN+Na"	64.015768
"1229430"	259.105268	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+Na"	64.015768
"1717586"	259.128793	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+NH4+HCOOH"	64.039293
"1178485"	88.0190513333333	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+3Na"	68.967654
"1650160"	264.084188	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na+HCOOH"	68.994688
"158845"	467.09804	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2K-H"	76.91904
"597153"	662.18754	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2K-H"	76.91904
"1085962"	272.00854	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2K-H"	76.91904
"141801"	234.052658	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2K"	77.926316
"581520"	331.597408	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2K"	77.926316
"1071225"	136.507908	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2K"	77.926316
"1102248"	274.023092	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2K+H"	78.933592
"1335785"	274.110707	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+DMSO+H"	79.021207
"1006182"	278.149876	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2ACN+H"	83.060376
"1526622"	279.143508	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+Na+H"	84.054008
"990274"	139.578576	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+2ACN+2H"	84.067652
"1590609"	280.058128	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+K+HCOOH"	84.968628
"1415659"	310.089638	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+CF3COOH"	115.000138
"1148743"	160.091851	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+3ACN+2H"	125.094202
"1703770"	327.116185	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+NH4+CF3COOH"	132.026685
"1644887"	332.07158	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na+CF3COOH"	136.98208
"1572883"	348.04552	"C11820"	"alpha-Methyl-m-tyrosine"	"C10H13NO3"	"195.0895"	"M+K+CF3COOH"	152.95602
"816008"	184.0233	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M"	0
"985529"	165.00491	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-H2O-H"	-19.01839
"71583"	121.674924	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M-3H"	-3.021828
"510049"	183.016024	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M-3H"	-3.021828
"887852"	60.333824	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-3H"	-3.021828
"7521"	183.016024	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M-2H"	-2.014552
"451453"	275.027674	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M-2H"	-2.014552
"827081"	91.004374	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-2H"	-2.014552
"93394"	367.039324	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M-H"	-1.007276
"531005"	551.062624	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M-H"	-1.007276
"905522"	183.016024	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-H"	-1.007276
"52242"	384.065871	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M-2H+NH4"	16.019271
"491801"	568.089171	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M-2H+NH4"	16.019271
"871790"	200.042571	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-2H+NH4"	16.019271
"45045"	389.021266	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M-2H+Na"	20.974666
"482540"	573.044566	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M-2H+Na"	20.974666
"853783"	204.997966	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-2H+Na"	20.974666
"1624411"	204.997966	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Na-2H"	20.974666
"98023"	201.004363	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M-H+Cl"	33.962126
"541592"	293.016013	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M-H+Cl"	33.962126
"935106"	108.992713	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-H+Cl"	33.962126
"272572"	403.016002	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+Cl"	34.969402
"664989"	587.039302	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+Cl"	34.969402
"1282866"	218.992702	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Cl"	34.969402
"18497"	404.995206	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M-2H+K"	36.948606
"459517"	589.018506	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M-2H+K"	36.948606
"836223"	220.971906	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-2H+K"	36.948606
"1557159"	220.971906	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+K-2H"	36.948606
"944671"	229.021494	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-H+HCOOH"	44.998194
"363978"	413.044801	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+HCOOH-H"	44.998201
"346524"	427.060451	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+Hac-H"	59.013851
"1499626"	243.037151	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Hac-H"	59.013851
"969354"	251.003451	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-H+NaCOOH"	66.980151
"121541"	218.992702	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+2Cl"	69.938804
"561102"	311.004352	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+2Cl"	69.938804
"1026628"	126.981052	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2Cl"	69.938804
"1244017"	262.942185	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Br"	78.918885
"1310840"	264.998172	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Cl+HCOOH"	80.974872
"1331990"	286.980129	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Cl+NaCOOH"	102.956829
"921592"	297.008886	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M-H+CF3COOH"	112.985586
"1297204"	332.985564	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Cl+CF3COOH"	148.962264
"1378283"	149.010624	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H-2H2O"	-35.012676
"1396754"	167.0206	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H-H2O"	-17.0027
"296198"	369.053876	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+H"	1.007276
"689347"	553.077176	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+H"	1.007276
"1365334"	185.030576	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H"	1.007276
"141016"	185.030576	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+2H"	2.014552
"578149"	277.042226	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+2H"	2.014552
"1049864"	93.018926	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2H"	2.014552
"218857"	123.689476	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+3H"	3.021828
"659431"	185.030576	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+3H"	3.021828
"1177596"	62.348376	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+3H"	3.021828
"438721"	386.080423	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+NH4"	18.033823
"798988"	570.103723	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+NH4"	18.033823
"1693132"	202.057123	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+NH4"	18.033823
"341410"	193.5438495	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+H+NH4"	19.041099
"731643"	285.5554995	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+H+NH4"	19.041099
"1487652"	101.5321995	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H+NH4"	19.041099
"400863"	391.035818	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+Na"	22.989218
"762953"	575.059118	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+Na"	22.989218
"1608865"	207.012518	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Na"	22.989218
"319994"	196.021547	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+H+Na"	23.996494
"712414"	288.033197	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+H+Na"	23.996494
"1469514"	104.009897	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H+Na"	23.996494
"1058383"	69.67569	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2H+Na"	25.00377
"1259328"	217.056786	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+CH3OH+H"	33.033486
"384116"	407.009758	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+K"	38.963158
"747296"	591.033058	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+K"	38.963158
"1548254"	222.986458	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+K"	38.963158
"307618"	204.008517	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+H+K"	39.970434
"700038"	296.020167	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+H+K"	39.970434
"1454956"	111.996867	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H+K"	39.970434
"243555"	410.080426	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+ACN+H"	42.033826
"1219546"	226.057126	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+ACN+H"	42.033826
"1205254"	113.532201	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+ACN+2H"	43.041102
"199581"	413.01776	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+2Na-H"	44.97116
"639141"	597.04106	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+2Na-H"	44.97116
"1137178"	228.99446	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2Na-H"	44.97116
"180472"	207.012518	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+2Na"	45.978436
"618938"	299.024168	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+2Na"	45.978436
"1118799"	115.000868	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2Na"	45.978436
"1404145"	77.003004	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H+2Na"	46.985712
"1434802"	231.036046	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H+HCOOH"	47.012746
"228872"	212.04554	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+3H2O+2H"	56.04448
"1512562"	245.08809	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+IsoProp+H"	61.06479
"415529"	214.999488	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+Na+K"	61.952376
"779802"	307.011138	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+Na+K"	61.952376
"1670667"	122.987838	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Na+K"	61.952376
"257183"	432.062368	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+ACN+Na"	64.015768
"1228810"	248.039068	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+ACN+Na"	64.015768
"1715144"	248.062593	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+NH4+HCOOH"	64.039293
"1178919"	84.330318	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+3Na"	68.967654
"1650392"	253.017988	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Na+HCOOH"	68.994688
"158106"	444.96564	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+2K-H"	76.91904
"597208"	628.98894	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+2K-H"	76.91904
"1084604"	260.94234	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2K-H"	76.91904
"141668"	222.986458	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"2M+2K"	77.926316
"581821"	314.998108	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"3M+2K"	77.926316
"1068891"	130.974808	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2K"	77.926316
"1102358"	262.956892	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2K+H"	78.933592
"1335693"	263.044507	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+DMSO+H"	79.021207
"1007027"	267.083676	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2ACN+H"	83.060376
"1534145"	268.077308	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+IsoProp+Na+H"	84.054008
"994033"	134.045476	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+2ACN+2H"	84.067652
"1592907"	268.991928	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+K+HCOOH"	84.968628
"1418566"	299.023438	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+H+CF3COOH"	115.000138
"1148856"	154.558751	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+3ACN+2H"	125.094202
"1703881"	316.049985	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+NH4+CF3COOH"	132.026685
"1641717"	321.00538	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+Na+CF3COOH"	136.98208
"1578460"	336.97932	"C11821"	"5-Hydroxyisourate"	"C5H4N4O4"	"184.0233"	"M+K+CF3COOH"	152.95602
"808827"	103.0269	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M"	0
"979078"	84.00851	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-H2O-H"	-19.01839
"68413"	67.677324	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M-3H"	-3.021828
"506879"	102.019624	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M-3H"	-3.021828
"884682"	33.335024	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-3H"	-3.021828
"5444"	102.019624	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M-2H"	-2.014552
"446096"	153.533074	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M-2H"	-2.014552
"830471"	50.506174	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-2H"	-2.014552
"91556"	205.046524	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M-H"	-1.007276
"530021"	308.073424	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M-H"	-1.007276
"905632"	102.019624	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-H"	-1.007276
"52352"	222.073071	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M-2H+NH4"	16.019271
"490818"	325.099971	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M-2H+NH4"	16.019271
"871900"	119.046171	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-2H+NH4"	16.019271
"41996"	227.028466	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M-2H+Na"	20.974666
"483743"	330.055366	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M-2H+Na"	20.974666
"859361"	124.001566	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-2H+Na"	20.974666
"1626709"	124.001566	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Na-2H"	20.974666
"106517"	120.007963	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M-H+Cl"	33.962126
"539879"	171.521413	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M-H+Cl"	33.962126
"933030"	68.494513	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-H+Cl"	33.962126
"274870"	241.023202	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+Cl"	34.969402
"665467"	344.050102	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+Cl"	34.969402
"1280789"	137.996302	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Cl"	34.969402
"24440"	243.002406	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M-2H+K"	36.948606
"460721"	346.029306	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M-2H+K"	36.948606
"837428"	139.975506	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-2H+K"	36.948606
"1558728"	139.975506	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+K-2H"	36.948606
"944051"	148.025094	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-H+HCOOH"	44.998194
"362264"	251.052001	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+HCOOH-H"	44.998201
"347242"	265.067651	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+Hac-H"	59.013851
"1501921"	162.040751	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Hac-H"	59.013851
"966184"	170.007051	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-H+NaCOOH"	66.980151
"120558"	137.996302	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+2Cl"	69.938804
"560119"	189.509752	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+2Cl"	69.938804
"1028925"	86.482852	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2Cl"	69.938804
"1252876"	181.945785	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Br"	78.918885
"1313137"	184.001772	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Cl+HCOOH"	80.974872
"1328455"	205.983729	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Cl+NaCOOH"	102.956829
"919513"	216.012486	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M-H+CF3COOH"	112.985586
"1295127"	251.989164	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Cl+CF3COOH"	148.962264
"1375475"	68.014224	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H-2H2O"	-35.012676
"1394066"	86.0242	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H-H2O"	-17.0027
"296310"	207.061076	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+H"	1.007276
"689456"	310.087976	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+H"	1.007276
"1362524"	104.034176	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H"	1.007276
"137602"	104.034176	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+2H"	2.014552
"578987"	155.547626	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+2H"	2.014552
"1049610"	52.520726	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2H"	2.014552
"213864"	69.691876	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+3H"	3.021828
"659621"	104.034176	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+3H"	3.021828
"1178309"	35.349576	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+3H"	3.021828
"439922"	224.087623	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+NH4"	18.033823
"801361"	327.114523	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+NH4"	18.033823
"1696948"	121.060723	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+NH4"	18.033823
"345650"	112.5474495	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+H+NH4"	19.041099
"736126"	164.0608995	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+H+NH4"	19.041099
"1488855"	61.0339995	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H+NH4"	19.041099
"407900"	229.043018	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+Na"	22.989218
"768530"	332.069918	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+Na"	22.989218
"1608975"	126.016118	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Na"	22.989218
"326665"	115.025147	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+H+Na"	23.996494
"714711"	166.538597	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+H+Na"	23.996494
"1469624"	63.511697	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H+Na"	23.996494
"1058493"	42.67689	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2H+Na"	25.00377
"1259074"	136.060386	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+CH3OH+H"	33.033486
"387507"	245.016958	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+K"	38.963158
"750686"	348.043858	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+K"	38.963158
"1550550"	141.990058	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+K"	38.963158
"308822"	123.012117	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+H+K"	39.970434
"700149"	174.525567	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+H+K"	39.970434
"1458346"	71.498667	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H+K"	39.970434
"243665"	248.087626	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+ACN+H"	42.033826
"1218562"	145.060726	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+ACN+H"	42.033826
"1207914"	73.034001	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+ACN+2H"	43.041102
"197504"	251.02496	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+2Na-H"	44.97116
"637063"	354.05186	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+2Na-H"	44.97116
"1137288"	147.99806	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2Na-H"	44.97116
"186050"	126.016118	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+2Na"	45.978436
"623422"	177.529568	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+2Na"	45.978436
"1122554"	74.502668	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2Na"	45.978436
"1405348"	50.004204	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H+2Na"	46.985712
"1432726"	150.039646	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H+HCOOH"	47.012746
"226795"	131.04914	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+3H2O+2H"	56.04448
"1513035"	164.09169	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+IsoProp+H"	61.06479
"414909"	134.003088	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+Na+K"	61.952376
"774810"	185.516538	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+Na+K"	61.952376
"1670410"	82.489638	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Na+K"	61.952376
"254378"	270.069568	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+ACN+Na"	64.015768
"1231095"	167.042668	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+ACN+Na"	64.015768
"1714877"	167.066193	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+NH4+HCOOH"	64.039293
"1183165"	57.331518	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+3Na"	68.967654
"1657432"	172.021588	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Na+HCOOH"	68.994688
"162108"	282.97284	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+2K-H"	76.91904
"603856"	385.99974	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+2K-H"	76.91904
"1084758"	179.94594	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2K-H"	76.91904
"145185"	141.990058	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"2M+2K"	77.926316
"582923"	193.503508	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"3M+2K"	77.926316
"1070836"	90.476608	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2K"	77.926316
"1103562"	181.960492	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2K+H"	78.933592
"1339945"	182.048107	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+DMSO+H"	79.021207
"1015034"	186.087276	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2ACN+H"	83.060376
"1535348"	187.080908	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+IsoProp+Na+H"	84.054008
"998516"	93.547276	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+2ACN+2H"	84.067652
"1590831"	187.995528	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+K+HCOOH"	84.968628
"1418676"	218.027038	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+H+CF3COOH"	115.000138
"1150059"	114.060551	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+3ACN+2H"	125.094202
"1707271"	235.053585	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+NH4+CF3COOH"	132.026685
"1644014"	240.00898	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+Na+CF3COOH"	136.98208
"1578570"	255.98292	"C11822"	"2-Aminomalonate semialdehyde;2-Ammoniomalonate semialdehyde"	"C3H5NO3"	"103.0269"	"M+K+CF3COOH"	152.95602
"815500"	318.2559	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M"	0
"981378"	299.23751	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"68525"	211.163324	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"506990"	317.248624	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"884791"	105.078024	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"15410"	317.248624	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"454968"	476.376574	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"826208"	158.120674	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"85105"	635.504524	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"525760"	953.760424	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"907936"	317.248624	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"59030"	652.531071	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"492030"	970.786971	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"869831"	334.275171	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"45388"	657.486466	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"483858"	975.742366	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"860565"	339.230566	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1627911"	339.230566	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"102256"	335.236963	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"548867"	494.364913	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"939705"	176.109013	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"280450"	671.481202	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"674453"	989.737102	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1279809"	353.225302	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"19083"	673.460406	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"463017"	991.716306	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"834377"	355.204506	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1557747"	355.204506	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"945631"	363.254094	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"373693"	681.510001	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"357579"	695.525651	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1502036"	377.269751	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"971766"	385.236051	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"123966"	353.225302	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"564986"	512.353252	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1036703"	194.097352	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1256525"	397.174785	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1312163"	399.230772	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1331482"	421.212729	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"921811"	431.241486	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1298520"	467.218164	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1375587"	283.243224	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1393812"	301.2532	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"295691"	637.519076	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"683005"	955.774976	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1366532"	319.263176	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"139175"	319.263176	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"580192"	478.391126	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1051911"	160.135226	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"219078"	213.177876	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"658767"	319.263176	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1177983"	107.092576	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"439433"	654.545623	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"800300"	972.801523	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1696632"	336.289723	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"343815"	327.7764495	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"735142"	486.9043995	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1491519"	168.6484995	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"402176"	659.501018	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"763172"	977.756918	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1615645"	341.245118	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"324587"	330.254147	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"718103"	489.382097	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1469735"	171.126197	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1060800"	114.41989	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1266856"	351.289386	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"390901"	675.474958	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"747522"	993.730858	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1550669"	357.219058	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"308939"	338.241117	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"703909"	497.369067	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1455181"	179.113167	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"242324"	678.545626	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1218681"	360.289726	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1206933"	180.648501	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"203734"	681.48296	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"639002"	999.73886	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1133031"	363.22706	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"175226"	341.245118	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"615152"	500.373068	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1118656"	182.117168	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1401815"	121.747204	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1433205"	365.268646	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"223626"	346.27814	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1512419"	379.32069	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"412833"	349.232088	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"773464"	508.360038	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1669430"	190.104138	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"257044"	700.527568	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1234506"	382.271668	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1721205"	382.295193	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1185466"	129.074518	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1655725"	387.250588	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"160035"	713.43084	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"601783"	1031.68674	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1088481"	395.17494	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"142623"	357.219058	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"588142"	516.347008	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1073746"	198.091108	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1104766"	397.189492	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1341150"	397.277107	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1009680"	401.316276	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1529991"	402.309908	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"994253"	201.161776	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1590945"	403.224528	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1419887"	433.256038	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1155645"	221.675051	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1706289"	450.282585	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1641939"	455.23798	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1574308"	471.21192	"C11825"	"3beta-Hydroxy-5beta-pregnane-20-one"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"809050"	614.238	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M"	0
"984770"	595.21961	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-H2O-H"	-19.01839
"76294"	408.484724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M-3H"	-3.021828
"506018"	613.230724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M-3H"	-3.021828
"886007"	203.738724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-3H"	-3.021828
"4582"	613.230724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M-2H"	-2.014552
"448518"	920.349724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M-2H"	-2.014552
"829600"	306.111724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-2H"	-2.014552
"87404"	1227.468724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M-H"	-1.007276
"522225"	1841.706724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M-H"	-1.007276
"903673"	613.230724	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-H"	-1.007276
"51486"	1244.495271	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M-2H+NH4"	16.019271
"499797"	1858.733271	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M-2H+NH4"	16.019271
"877481"	630.257271	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-2H+NH4"	16.019271
"36026"	1249.450666	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M-2H+Na"	20.974666
"474857"	1863.688666	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M-2H+Na"	20.974666
"858496"	635.212666	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-2H+Na"	20.974666
"1630214"	635.212666	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Na-2H"	20.974666
"100184"	631.219063	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M-H+Cl"	33.962126
"540837"	938.338063	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M-H+Cl"	33.962126
"928884"	324.100063	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-H+Cl"	33.962126
"268165"	1263.445402	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+Cl"	34.969402
"660955"	1877.683402	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+Cl"	34.969402
"1275543"	649.207402	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Cl"	34.969402
"19192"	1265.424606	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M-2H+K"	36.948606
"463131"	1879.662606	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M-2H+K"	36.948606
"839840"	651.186606	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-2H+K"	36.948606
"1566617"	651.186606	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+K-2H"	36.948606
"956320"	659.236194	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-H+HCOOH"	44.998194
"370161"	1273.474201	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+HCOOH-H"	44.998201
"357326"	1287.489851	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+Hac-H"	59.013851
"1508122"	673.251851	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Hac-H"	59.013851
"973353"	681.218151	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-H+NaCOOH"	66.980151
"125421"	649.207402	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+2Cl"	69.938804
"564857"	956.326402	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+2Cl"	69.938804
"1033164"	342.088402	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2Cl"	69.938804
"1253474"	693.156885	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Br"	78.918885
"1313367"	695.212872	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Cl+HCOOH"	80.974872
"1332323"	717.194829	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Cl+NaCOOH"	102.956829
"919735"	727.223586	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M-H+CF3COOH"	112.985586
"1296442"	763.200264	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Cl+CF3COOH"	148.962264
"1379344"	579.225324	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H-2H2O"	-35.012676
"1394289"	597.2353	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H-H2O"	-17.0027
"294712"	1229.483276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+H"	1.007276
"690779"	1843.721276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+H"	1.007276
"1365303"	615.245276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H"	1.007276
"139530"	615.245276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+2H"	2.014552
"577387"	922.364276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+2H"	2.014552
"1051655"	308.126276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2H"	2.014552
"217730"	410.499276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+3H"	3.021828
"659356"	615.245276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+3H"	3.021828
"1177850"	205.753276	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+3H"	3.021828
"439782"	1246.509823	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+NH4"	18.033823
"800414"	1860.747823	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+NH4"	18.033823
"1694920"	632.271823	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+NH4"	18.033823
"343197"	623.7585495	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+H+NH4"	19.041099
"734161"	930.8775495	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+H+NH4"	19.041099
"1489441"	316.6395495	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H+NH4"	19.041099
"404475"	1251.465218	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+Na"	22.989218
"765470"	1865.703218	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+Na"	22.989218
"1612474"	637.227218	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Na"	22.989218
"325793"	626.236247	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+H+Na"	23.996494
"716034"	933.355247	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+H+Na"	23.996494
"1469858"	319.117247	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H+Na"	23.996494
"1063102"	213.08059	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2H+Na"	25.00377
"1268061"	647.271486	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+CH3OH+H"	33.033486
"387729"	1267.439158	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+K"	38.963158
"745444"	1881.677158	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+K"	38.963158
"1548591"	653.201158	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+K"	38.963158
"306862"	634.223217	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+H+K"	39.970434
"698193"	941.342217	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+H+K"	39.970434
"1449826"	327.104217	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H+K"	39.970434
"241707"	1270.509826	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+ACN+H"	42.033826
"1219883"	656.271826	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+ACN+H"	42.033826
"1197571"	328.639551	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+ACN+2H"	43.041102
"188898"	1273.44716	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+2Na-H"	44.97116
"630357"	1887.68516	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+2Na-H"	44.97116
"1133263"	659.20916	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2Na-H"	44.97116
"175337"	637.227218	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+2Na"	45.978436
"613435"	944.346218	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+2Na"	45.978436
"1117308"	330.108218	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2Na"	45.978436
"1399493"	220.407904	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H+2Na"	46.985712
"1432951"	661.250746	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H+HCOOH"	47.012746
"221185"	642.26024	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+3H2O+2H"	56.04448
"1515445"	675.30279	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+IsoProp+H"	61.06479
"411121"	645.214188	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+Na+K"	61.952376
"774674"	952.333188	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+Na+K"	61.952376
"1673203"	338.095188	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Na+K"	61.952376
"259722"	1292.491768	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+ACN+Na"	64.015768
"1233890"	678.253768	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+ACN+Na"	64.015768
"1716215"	678.277293	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+NH4+HCOOH"	64.039293
"1181204"	227.735218	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+3Na"	68.967654
"1653649"	683.232688	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Na+HCOOH"	68.994688
"159780"	1305.39504	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+2K-H"	76.91904
"601893"	1919.63304	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+2K-H"	76.91904
"1087498"	691.15704	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2K-H"	76.91904
"143948"	653.201158	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"2M+2K"	77.926316
"582536"	960.320158	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"3M+2K"	77.926316
"1071667"	346.082158	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2K"	77.926316
"1101596"	693.171592	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2K+H"	78.933592
"1340167"	693.259207	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+DMSO+H"	79.021207
"1013071"	697.298376	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2ACN+H"	83.060376
"1531200"	698.292008	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+IsoProp+Na+H"	84.054008
"998741"	349.152826	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+2ACN+2H"	84.067652
"1596525"	699.206628	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+K+HCOOH"	84.968628
"1417811"	729.238138	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+H+CF3COOH"	115.000138
"1152474"	369.666101	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+3ACN+2H"	125.094202
"1699838"	746.264685	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+NH4+CF3COOH"	132.026685
"1640958"	751.22008	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+Na+CF3COOH"	136.98208
"1579888"	767.19402	"C11829"	"13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H34MgN4O5"	"614.238"	"M+K+CF3COOH"	152.95602
"803690"	612.2223	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M"	0
"977222"	593.20391	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-H2O-H"	-19.01839
"72027"	407.140924	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M-3H"	-3.021828
"503939"	611.215024	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M-3H"	-3.021828
"883928"	203.066824	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-3H"	-3.021828
"10157"	611.215024	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M-2H"	-2.014552
"445345"	917.326174	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M-2H"	-2.014552
"824241"	305.103874	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-2H"	-2.014552
"89700"	1223.437324	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M-H"	-1.007276
"530354"	1835.659624	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M-H"	-1.007276
"909248"	611.215024	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-H"	-1.007276
"59248"	1240.463871	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M-2H+NH4"	16.019271
"500398"	1852.686171	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M-2H+NH4"	16.019271
"877956"	628.241571	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-2H+NH4"	16.019271
"43061"	1245.419266	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M-2H+Na"	20.974666
"479705"	1857.641566	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M-2H+Na"	20.974666
"851676"	633.196966	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-2H+Na"	20.974666
"1627042"	633.196966	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Na-2H"	20.974666
"99200"	629.203363	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M-H+Cl"	33.962126
"540946"	935.314513	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M-H+Cl"	33.962126
"931181"	323.092213	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-H+Cl"	33.962126
"276296"	1259.414002	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+Cl"	34.969402
"663251"	1871.636302	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+Cl"	34.969402
"1275288"	647.191702	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Cl"	34.969402
"17479"	1261.393206	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M-2H+K"	36.948606
"457772"	1873.615506	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M-2H+K"	36.948606
"834479"	649.170906	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-2H+K"	36.948606
"1561253"	649.170906	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+K-2H"	36.948606
"949138"	657.220494	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-H+HCOOH"	44.998194
"373186"	1269.442801	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+HCOOH-H"	44.998201
"357072"	1283.458451	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+Hac-H"	59.013851
"1508102"	671.236151	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Hac-H"	59.013851
"973335"	679.202451	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-H+NaCOOH"	66.980151
"125278"	647.191702	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+2Cl"	69.938804
"563385"	953.302852	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+2Cl"	69.938804
"1030355"	341.080552	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2Cl"	69.938804
"1249935"	691.141185	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Br"	78.918885
"1314569"	693.197172	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Cl+HCOOH"	80.974872
"1327692"	715.179129	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Cl+NaCOOH"	102.956829
"919843"	725.207886	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M-H+CF3COOH"	112.985586
"1296549"	761.184564	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Cl+CF3COOH"	148.962264
"1373619"	577.209624	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H-2H2O"	-35.012676
"1392210"	595.2196	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H-H2O"	-17.0027
"292994"	1225.451876	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+H"	1.007276
"685784"	1837.674176	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+H"	1.007276
"1360670"	613.229576	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H"	1.007276
"135749"	613.229576	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+2H"	2.014552
"576766"	919.340726	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+2H"	2.014552
"1048845"	307.118426	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2H"	2.014552
"215287"	409.155476	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+3H"	3.021828
"654117"	613.229576	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+3H"	3.021828
"1176132"	205.081376	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+3H"	3.021828
"435150"	1242.478423	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+NH4"	18.033823
"793957"	1854.700723	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+NH4"	18.033823
"1690287"	630.256123	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+NH4"	18.033823
"336380"	621.7428495	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+H+NH4"	19.041099
"726615"	927.8539995	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+H+NH4"	19.041099
"1483713"	315.6316995	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H+NH4"	19.041099
"400207"	1247.433818	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+Na"	22.989218
"760110"	1859.656118	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+Na"	22.989218
"1611489"	635.211518	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Na"	22.989218
"324810"	624.220547	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+H+Na"	23.996494
"720036"	930.331697	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+H+Na"	23.996494
"1472884"	318.109397	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H+Na"	23.996494
"1062847"	212.40869	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2H+Na"	25.00377
"1268171"	645.255786	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+CH3OH+H"	33.033486
"385653"	1263.407758	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+K"	38.963158
"744461"	1875.630058	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+K"	38.963158
"1547609"	651.185458	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+K"	38.963158
"304784"	632.207517	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+H+K"	39.970434
"697208"	938.318667	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+H+K"	39.970434
"1451027"	326.096367	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H+K"	39.970434
"244004"	1266.478426	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+ACN+H"	42.033826
"1219993"	654.256126	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+ACN+H"	42.033826
"1199501"	327.631701	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+ACN+2H"	43.041102
"196017"	1269.41576	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+2Na-H"	44.97116
"637399"	1881.63806	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+2Na-H"	44.97116
"1131871"	657.19346	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2Na-H"	44.97116
"174353"	635.211518	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+2Na"	45.978436
"614757"	941.322668	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+2Na"	45.978436
"1117170"	329.100368	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2Na"	45.978436
"1399846"	219.736004	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H+2Na"	46.985712
"1432694"	659.235046	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H+HCOOH"	47.012746
"222388"	640.24454	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+3H2O+2H"	56.04448
"1512274"	673.28709	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+IsoProp+H"	61.06479
"410865"	643.198488	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+Na+K"	61.952376
"774784"	949.309638	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+Na+K"	61.952376
"1674406"	337.087338	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Na+K"	61.952376
"259832"	1288.460368	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+ACN+Na"	64.015768
"1233636"	676.238068	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+ACN+Na"	64.015768
"1717055"	676.261593	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+NH4+HCOOH"	64.039293
"1182773"	227.063318	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+3Na"	68.967654
"1654852"	681.216988	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Na+HCOOH"	68.994688
"159890"	1301.36364	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+2K-H"	76.91904
"602367"	1913.58594	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+2K-H"	76.91904
"1086515"	689.14134	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2K-H"	76.91904
"141990"	651.185458	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"2M+2K"	77.926316
"583618"	957.296608	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"3M+2K"	77.926316
"1071778"	345.074308	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2K"	77.926316
"1104987"	691.155892	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2K+H"	78.933592
"1340277"	691.243507	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+DMSO+H"	79.021207
"1013182"	695.282676	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2ACN+H"	83.060376
"1531311"	696.276308	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+IsoProp+Na+H"	84.054008
"993385"	348.144976	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+2ACN+2H"	84.067652
"1590074"	697.190928	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+K+HCOOH"	84.968628
"1417921"	727.222438	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+H+CF3COOH"	115.000138
"1151491"	368.658251	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+3ACN+2H"	125.094202
"1704324"	744.248985	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+NH4+CF3COOH"	132.026685
"1646535"	749.20438	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+Na+CF3COOH"	136.98208
"1579998"	765.17832	"C11830"	"13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester"	"C35H32MgN4O5"	"612.2223"	"M+K+CF3COOH"	152.95602
"801496"	610.2067	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M"	0
"976239"	591.18831	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-H2O-H"	-19.01839
"69951"	405.797190666667	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M-3H"	-3.021828
"505143"	609.199424	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M-3H"	-3.021828
"881852"	202.394957333333	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-3H"	-3.021828
"8080"	609.199424	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M-2H"	-2.014552
"445454"	914.302774	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M-2H"	-2.014552
"824351"	304.096074	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-2H"	-2.014552
"91997"	1219.406124	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M-H"	-1.007276
"529371"	1829.612824	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M-H"	-1.007276
"902796"	609.199424	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-H"	-1.007276
"61424"	1236.432671	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M-2H+NH4"	16.019271
"497825"	1846.639371	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M-2H+NH4"	16.019271
"876362"	626.225971	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-2H+NH4"	16.019271
"43900"	1241.388066	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M-2H+Na"	20.974666
"476535"	1851.594766	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M-2H+Na"	20.974666
"854338"	631.181366	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-2H+Na"	20.974666
"1628246"	631.181366	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Na-2H"	20.974666
"95058"	627.187763	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M-H+Cl"	33.962126
"541057"	932.291113	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M-H+Cl"	33.962126
"929105"	322.084413	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-H+Cl"	33.962126
"276406"	1255.382802	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+Cl"	34.969402
"669921"	1865.589502	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+Cl"	34.969402
"1281229"	645.176102	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Cl"	34.969402
"19410"	1257.362006	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M-2H+K"	36.948606
"457882"	1867.568706	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M-2H+K"	36.948606
"833738"	647.155306	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-2H+K"	36.948606
"1556989"	647.155306	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+K-2H"	36.948606
"949248"	655.204894	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-H+HCOOH"	44.998194
"366369"	1265.411601	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+HCOOH-H"	44.998201
"360835"	1279.427251	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+Hac-H"	59.013851
"1507769"	669.220551	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Hac-H"	59.013851
"973082"	677.186851	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-H+NaCOOH"	66.980151
"125507"	645.176102	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+2Cl"	69.938804
"564946"	950.279452	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+2Cl"	69.938804
"1032653"	340.072752	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2Cl"	69.938804
"1250045"	689.125585	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Br"	78.918885
"1315772"	691.181572	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Cl+HCOOH"	80.974872
"1331082"	713.163529	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Cl+NaCOOH"	102.956829
"917766"	723.192286	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M-H+CF3COOH"	112.985586
"1292287"	759.168964	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Cl+CF3COOH"	148.962264
"1372636"	575.194024	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H-2H2O"	-35.012676
"1392320"	593.204	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H-H2O"	-17.0027
"292012"	1221.420676	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+H"	1.007276
"686619"	1831.627376	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+H"	1.007276
"1362966"	611.213976	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H"	1.007276
"135856"	611.213976	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+2H"	2.014552
"576873"	916.317326	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+2H"	2.014552
"1049683"	306.110626	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2H"	2.014552
"215761"	407.811742666667	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+3H"	3.021828
"651675"	611.213976	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+3H"	3.021828
"1173080"	204.409509333333	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+3H"	3.021828
"435258"	1238.447223	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+NH4"	18.033823
"794067"	1848.653923	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+NH4"	18.033823
"1687118"	628.240523	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+NH4"	18.033823
"337582"	619.7272495	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+H+NH4"	19.041099
"726725"	924.8305995	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+H+NH4"	19.041099
"1483824"	314.6238995	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H+NH4"	19.041099
"401410"	1243.402618	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+Na"	22.989218
"761313"	1853.609318	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+Na"	22.989218
"1610504"	633.195918	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Na"	22.989218
"326013"	622.204947	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+H+Na"	23.996494
"721362"	927.308297	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+H+Na"	23.996494
"1474453"	317.101597	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H+Na"	23.996494
"1065144"	211.736823333333	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2H+Na"	25.00377
"1268281"	643.240186	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+CH3OH+H"	33.033486
"389408"	1259.376558	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+K"	38.963158
"747853"	1869.583258	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+K"	38.963158
"1545532"	649.169858	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+K"	38.963158
"307080"	630.191917	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+H+K"	39.970434
"697318"	935.295267	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+H+K"	39.970434
"1453323"	325.088567	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H+K"	39.970434
"245207"	1262.447226	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+ACN+H"	42.033826
"1219009"	652.240526	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+ACN+H"	42.033826
"1200704"	326.623901	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+ACN+2H"	43.041102
"197950"	1265.38456	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+2Na-H"	44.97116
"639695"	1875.59126	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+2Na-H"	44.97116
"1131550"	655.17786	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2Na-H"	44.97116
"175557"	633.195918	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+2Na"	45.978436
"613776"	938.299268	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+2Na"	45.978436
"1117159"	328.092568	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2Na"	45.978436
"1400320"	219.064137333333	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H+2Na"	46.985712
"1432443"	657.219446	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H+HCOOH"	47.012746
"220676"	638.22894	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+3H2O+2H"	56.04448
"1510924"	671.27149	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+IsoProp+H"	61.06479
"409153"	641.182888	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+Na+K"	61.952376
"773071"	946.286238	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+Na+K"	61.952376
"1676337"	336.079538	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Na+K"	61.952376
"261032"	1284.429168	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+ACN+Na"	64.015768
"1237026"	674.222468	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+ACN+Na"	64.015768
"1715341"	674.245993	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+NH4+HCOOH"	64.039293
"1183613"	226.391451333333	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+3Na"	68.967654
"1654599"	679.201388	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Na+HCOOH"	68.994688
"162918"	1297.33244	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+2K-H"	76.91904
"602113"	1907.53914	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+2K-H"	76.91904
"1087719"	687.12574	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2K-H"	76.91904
"145263"	649.169858	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"2M+2K"	77.926316
"582269"	954.273208	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"3M+2K"	77.926316
"1074076"	344.066508	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2K"	77.926316
"1105098"	689.140292	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2K+H"	78.933592
"1342575"	689.227907	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+DMSO+H"	79.021207
"1011107"	693.267076	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2ACN+H"	83.060376
"1530328"	694.260708	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+IsoProp+Na+H"	84.054008
"992397"	347.137176	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+2ACN+2H"	84.067652
"1589091"	695.175328	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+K+HCOOH"	84.968628
"1418031"	725.206838	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+H+CF3COOH"	115.000138
"1151601"	367.650451	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+3ACN+2H"	125.094202
"1704434"	742.233385	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+NH4+CF3COOH"	132.026685
"1647738"	747.18878	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+Na+CF3COOH"	136.98208
"1580108"	763.16272	"C11831"	"Divinylprotochlorophyllide;24-Divinylprotochlorophyllide;Mg-24-Divinyl-phaeoporphyrin a5-monomethylester"	"C35H30MgN4O5"	"610.2067"	"M+K+CF3COOH"	152.95602
"809378"	612.2223	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M"	0
"976349"	593.20391	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H2O-H"	-19.01839
"73341"	407.140924	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-3H"	-3.021828
"506347"	611.215024	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-3H"	-3.021828
"888522"	203.066824	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-3H"	-3.021828
"9282"	611.215024	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H"	-2.014552
"449937"	917.326174	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H"	-2.014552
"826647"	305.103874	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H"	-2.014552
"91014"	1223.437324	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-H"	-1.007276
"529481"	1835.659624	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-H"	-1.007276
"908375"	611.215024	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H"	-1.007276
"61778"	1240.463871	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H+NH4"	16.019271
"500973"	1852.686171	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H+NH4"	16.019271
"878662"	628.241571	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H+NH4"	16.019271
"44374"	1245.419266	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H+Na"	20.974666
"482841"	1857.641566	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H+Na"	20.974666
"857728"	633.196966	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H+Na"	20.974666
"1630542"	633.196966	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na-2H"	20.974666
"98328"	629.203363	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-H+Cl"	33.962126
"545540"	935.314513	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-H+Cl"	33.962126
"932495"	323.092213	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+Cl"	33.962126
"278703"	1259.414002	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Cl"	34.969402
"673311"	1871.636302	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+Cl"	34.969402
"1281339"	647.191702	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl"	34.969402
"19520"	1261.393206	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M-2H+K"	36.948606
"461272"	1873.615506	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M-2H+K"	36.948606
"835063"	649.170906	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-2H+K"	36.948606
"1561473"	649.170906	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K-2H"	36.948606
"952638"	657.220494	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+HCOOH"	44.998194
"368666"	1269.442801	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+HCOOH-H"	44.998201
"361066"	1283.458451	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Hac-H"	59.013851
"1507961"	671.236151	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Hac-H"	59.013851
"973558"	679.202451	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+NaCOOH"	66.980151
"125011"	647.191702	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2Cl"	69.938804
"565430"	953.302852	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2Cl"	69.938804
"1034222"	341.080552	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2Cl"	69.938804
"1253802"	691.141185	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Br"	78.918885
"1318803"	693.197172	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl+HCOOH"	80.974872
"1332285"	715.179129	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl+NaCOOH"	102.956829
"922250"	725.207886	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M-H+CF3COOH"	112.985586
"1297863"	761.184564	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Cl+CF3COOH"	148.962264
"1371650"	577.209624	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H-2H2O"	-35.012676
"1389146"	595.2196	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H-H2O"	-17.0027
"297227"	1225.451876	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H"	1.007276
"689646"	1837.674176	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H"	1.007276
"1363441"	613.229576	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H"	1.007276
"138883"	613.229576	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2H"	2.014552
"578442"	919.340726	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2H"	2.014552
"1049065"	307.118426	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2H"	2.014552
"216598"	409.155476	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+3H"	3.021828
"657620"	613.229576	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+3H"	3.021828
"1175014"	205.081376	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+3H"	3.021828
"437555"	1242.478423	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+NH4"	18.033823
"791990"	1854.700723	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+NH4"	18.033823
"1690509"	630.256123	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+NH4"	18.033823
"342067"	621.7428495	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H+NH4"	19.041099
"730115"	927.8539995	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H+NH4"	19.041099
"1486122"	315.6316995	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+NH4"	19.041099
"403708"	1247.433818	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Na"	22.989218
"768714"	1859.656118	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+Na"	22.989218
"1611707"	635.211518	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na"	22.989218
"325758"	624.220547	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H+Na"	23.996494
"721226"	930.331697	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H+Na"	23.996494
"1476387"	318.109397	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+Na"	23.996494
"1066347"	212.40869	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2H+Na"	25.00377
"1270577"	645.255786	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+CH3OH+H"	33.033486
"391949"	1263.407758	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+K"	38.963158
"750517"	1875.630058	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+K"	38.963158
"1552932"	651.185458	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K"	38.963158
"307190"	632.207517	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+H+K"	39.970434
"702893"	938.318667	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+H+K"	39.970434
"1454525"	326.096367	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+K"	39.970434
"248595"	1266.478426	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+ACN+H"	42.033826
"1223491"	654.256126	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+ACN+H"	42.033826
"1201907"	327.631701	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+ACN+2H"	43.041102
"201338"	1269.41576	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2Na-H"	44.97116
"640898"	1881.63806	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2Na-H"	44.97116
"1133471"	657.19346	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2Na-H"	44.97116
"175669"	635.211518	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2Na"	45.978436
"619602"	941.322668	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2Na"	45.978436
"1118005"	329.100368	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2Na"	45.978436
"1404444"	219.736004	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+2Na"	46.985712
"1435469"	659.235046	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+HCOOH"	47.012746
"221880"	640.24454	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+3H2O+2H"	56.04448
"1511400"	673.28709	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+IsoProp+H"	61.06479
"410359"	643.198488	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+Na+K"	61.952376
"773181"	949.309638	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+Na+K"	61.952376
"1677905"	337.087338	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na+K"	61.952376
"263329"	1288.460368	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+ACN+Na"	64.015768
"1230574"	676.238068	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+ACN+Na"	64.015768
"1718367"	676.261593	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+NH4+HCOOH"	64.039293
"1189187"	227.063318	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+3Na"	68.967654
"1656895"	681.216988	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na+HCOOH"	68.994688
"162664"	1301.36364	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2K-H"	76.91904
"601130"	1913.58594	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2K-H"	76.91904
"1087829"	689.14134	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2K-H"	76.91904
"145009"	651.185458	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"2M+2K"	77.926316
"582137"	957.296608	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"3M+2K"	77.926316
"1073456"	345.074308	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2K"	77.926316
"1105208"	691.155892	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2K+H"	78.933592
"1340499"	691.243507	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+DMSO+H"	79.021207
"1010484"	695.282676	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2ACN+H"	83.060376
"1530435"	696.276308	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+IsoProp+Na+H"	84.054008
"991413"	348.144976	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+2ACN+2H"	84.067652
"1592479"	697.190928	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K+HCOOH"	84.968628
"1415952"	727.222438	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+H+CF3COOH"	115.000138
"1152804"	368.658251	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+3ACN+2H"	125.094202
"1703451"	744.248985	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+NH4+CF3COOH"	132.026685
"1638007"	749.20438	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+Na+CF3COOH"	136.98208
"1579125"	765.17832	"C11832"	"Divinyl chlorophyllide a"	"C35H32MgN4O5"	"612.2223"	"M+K+CF3COOH"	152.95602
"809489"	199.0481	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M"	0
"979740"	180.02971	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-H2O-H"	-19.01839
"72357"	131.691457333333	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M-3H"	-3.021828
"511926"	198.040824	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M-3H"	-3.021828
"886447"	65.3420906666667	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-3H"	-3.021828
"6114"	198.040824	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M-2H"	-2.014552
"447861"	297.564874	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M-2H"	-2.014552
"820925"	98.516774	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-2H"	-2.014552
"85656"	397.088924	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M-H"	-1.007276
"523030"	596.137024	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M-H"	-1.007276
"901924"	198.040824	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-H"	-1.007276
"56297"	414.115471	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M-2H+NH4"	16.019271
"494764"	613.163571	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M-2H+NH4"	16.019271
"875852"	215.067371	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-2H+NH4"	16.019271
"46968"	419.070866	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M-2H+Na"	20.974666
"485866"	618.118966	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M-2H+Na"	20.974666
"858928"	220.022766	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-2H+Na"	20.974666
"1634115"	220.022766	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Na-2H"	20.974666
"101718"	216.029163	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M-H+Cl"	33.962126
"549874"	315.553213	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M-H+Cl"	33.962126
"940624"	116.505113	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-H+Cl"	33.962126
"280517"	433.065602	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+Cl"	34.969402
"671965"	632.113702	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+Cl"	34.969402
"1286917"	234.017502	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Cl"	34.969402
"22911"	435.044806	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M-2H+K"	36.948606
"463568"	634.092906	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M-2H+K"	36.948606
"836996"	235.996706	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-2H+K"	36.948606
"1561583"	235.996706	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+K-2H"	36.948606
"952748"	244.046294	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-H+HCOOH"	44.998194
"366589"	443.094401	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+HCOOH-H"	44.998201
"361136"	457.110051	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+Hac-H"	59.013851
"1507707"	258.061951	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Hac-H"	59.013851
"973668"	266.028251	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-H+NaCOOH"	66.980151
"124394"	234.017502	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+2Cl"	69.938804
"565497"	333.541552	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+2Cl"	69.938804
"1037013"	134.493452	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2Cl"	69.938804
"1255005"	277.966985	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Br"	78.918885
"1318186"	280.022972	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Cl+HCOOH"	80.974872
"1332395"	302.004929	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Cl+NaCOOH"	102.956829
"921995"	312.033686	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M-H+CF3COOH"	112.985586
"1298703"	348.010364	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Cl+CF3COOH"	148.962264
"1376134"	164.035424	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H-2H2O"	-35.012676
"1389256"	182.0454	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H-H2O"	-17.0027
"296242"	399.103476	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+H"	1.007276
"690120"	598.151576	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+H"	1.007276
"1362094"	200.055376	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H"	1.007276
"138993"	200.055376	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+2H"	2.014552
"577823"	299.579426	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+2H"	2.014552
"1051364"	100.531326	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2H"	2.014552
"216345"	133.706009333333	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+3H"	3.021828
"658458"	200.055376	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+3H"	3.021828
"1176583"	67.3566426666667	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+3H"	3.021828
"435479"	416.130023	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+NH4"	18.033823
"797566"	615.178123	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+NH4"	18.033823
"1692806"	217.081923	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+NH4"	18.033823
"339990"	208.5686495	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+H+NH4"	19.041099
"730223"	308.0926995	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+H+NH4"	19.041099
"1487325"	109.0445995	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H+NH4"	19.041099
"406734"	421.085418	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+Na"	22.989218
"768095"	620.133518	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+Na"	22.989218
"1610723"	222.037318	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Na"	22.989218
"320765"	211.046347	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+H+Na"	23.996494
"722784"	310.570397	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+H+Na"	23.996494
"1476616"	111.522297	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H+Na"	23.996494
"1068418"	74.6839566666667	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2H+Na"	25.00377
"1272681"	232.081586	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+CH3OH+H"	33.033486
"390360"	437.059358	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+K"	38.963158
"750264"	636.107458	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+K"	38.963158
"1552680"	238.011258	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+K"	38.963158
"307300"	219.033317	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+H+K"	39.970434
"705191"	318.557367	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+H+K"	39.970434
"1457916"	119.509267	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H+K"	39.970434
"251301"	440.130026	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+ACN+H"	42.033826
"1225384"	241.081926	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+ACN+H"	42.033826
"1203111"	121.044601	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+ACN+2H"	43.041102
"202421"	443.06736	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+2Na-H"	44.97116
"641008"	642.11546	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+2Na-H"	44.97116
"1135770"	244.01926	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2Na-H"	44.97116
"182339"	222.037318	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+2Na"	45.978436
"620805"	321.561368	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+2Na"	45.978436
"1123218"	122.513268	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2Na"	45.978436
"1405648"	82.0112706666667	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H+2Na"	46.985712
"1432299"	246.060846	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H+HCOOH"	47.012746
"223451"	227.07034	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+3H2O+2H"	56.04448
"1512605"	260.11289	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+IsoProp+H"	61.06479
"411199"	230.024288	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+Na+K"	61.952376
"776207"	329.548338	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+Na+K"	61.952376
"1678745"	130.500238	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Na+K"	61.952376
"265629"	462.111968	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+ACN+Na"	64.015768
"1230684"	263.063868	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+ACN+Na"	64.015768
"1720664"	263.087393	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+NH4+HCOOH"	64.039293
"1192943"	89.3385846666667	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+3Na"	68.967654
"1657005"	268.042788	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Na+HCOOH"	68.994688
"163867"	475.01524	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+2K-H"	76.91904
"603426"	674.06334	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+2K-H"	76.91904
"1087939"	275.96714	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2K-H"	76.91904
"144755"	238.011258	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"2M+2K"	77.926316
"588690"	337.535308	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"3M+2K"	77.926316
"1076485"	138.487208	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2K"	77.926316
"1105321"	277.981692	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2K+H"	78.933592
"1342797"	278.069307	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+DMSO+H"	79.021207
"1012418"	282.108476	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2ACN+H"	83.060376
"1530545"	283.102108	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+IsoProp+Na+H"	84.054008
"998088"	141.557876	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+2ACN+2H"	84.067652
"1590403"	284.016728	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+K+HCOOH"	84.968628
"1420437"	314.048238	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+H+CF3COOH"	115.000138
"1151821"	162.071151	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+3ACN+2H"	125.094202
"1704653"	331.074785	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+NH4+CF3COOH"	132.026685
"1644678"	336.03018	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+Na+CF3COOH"	136.98208
"1579235"	352.00412	"C11833"	"Isoclavulanic acid"	"C8H9NO5"	"199.0481"	"M+K+CF3COOH"	152.95602
"803038"	214.0994	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M"	0
"976569"	195.08101	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"65906"	141.725657333333	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"506568"	213.092124	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"884367"	70.3591906666667	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"6224"	213.092124	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"449064"	320.141824	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"820671"	106.042424	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"84672"	427.191524	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"523140"	641.290924	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"899845"	213.092124	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"54220"	444.218071	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"495967"	658.317471	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"875962"	230.118671	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"46376"	449.173466	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"483424"	663.272866	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"855758"	235.074066	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1633976"	235.074066	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"108267"	231.080463	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"549045"	338.130163	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"942644"	124.030763	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"282086"	463.168202	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"673168"	677.267602	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1285934"	249.068802	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"24115"	465.147406	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"461492"	679.246806	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"836013"	251.048006	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1562785"	251.048006	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"951763"	259.097594	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"369978"	473.197001	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"361374"	487.212651	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1507334"	273.113251	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"973900"	281.079551	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"125355"	249.068802	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"565405"	356.118502	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1036638"	142.019102	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1256208"	293.018285	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1319023"	295.074272	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1331412"	317.056229	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"921374"	327.084986	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1298812"	363.061664	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1381349"	179.086724	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1390459"	197.0967	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"295622"	429.206076	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"686949"	643.305476	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1360381"	215.106676	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"139103"	215.106676	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"577569"	322.156376	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1048921"	108.056976	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"216819"	143.740209333333	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"658204"	215.106676	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1175601"	72.3737426666667	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"435589"	446.232623	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"792209"	660.332023	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1693281"	232.133223	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"340100"	223.6199495	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"729240"	330.6696495	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1485249"	116.5702495	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"404294"	451.188018	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"765654"	665.287418	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1607554"	237.088618	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"319782"	226.097647	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"719863"	333.147347	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1472593"	119.047947	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1063651"	79.7010566666667	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1272180"	247.132886	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"392211"	467.161958	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"753289"	681.261358	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1554490"	253.062558	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"307410"	234.084617	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"703113"	341.134317	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1454745"	127.034917	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"247720"	470.232626	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1222617"	256.133226	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1201034"	128.570251	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"199372"	473.16996	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"641118"	687.26936	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1136244"	259.07056	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"182449"	237.088618	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"616542"	344.138318	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1117129"	130.038918	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1403571"	87.0283706666667	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1430826"	261.112146	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"221373"	242.12164	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1510892"	275.16419	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"409850"	245.075588	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"773037"	352.125288	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1680923"	138.025888	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"266347"	492.214568	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1237355"	278.115168	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1721867"	278.138693	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1193664"	94.3556846666667	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1663677"	283.094088	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"166164"	505.11784	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"607912"	719.21724	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1089142"	291.01844	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"144135"	253.062558	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"588800"	360.112258	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1076594"	146.012858	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1107617"	293.032992	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1344000"	293.120607	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1013621"	297.159776	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1531748"	298.153408	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"997105"	149.083526	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1591606"	299.068028	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1419454"	329.099538	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1151931"	169.596801	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1702576"	346.126085	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1644788"	351.08148	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1579345"	367.05542	"C11834"	"4-Benzyloxybenzyl alcohol"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"803148"	171.0895	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M"	0
"976679"	152.07111	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-H2O-H"	-19.01839
"69296"	113.052390666667	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M-3H"	-3.021828
"507771"	170.082224	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M-3H"	-3.021828
"880467"	56.0225573333333	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-3H"	-3.021828
"7425"	170.082224	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M-2H"	-2.014552
"449174"	255.626974	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M-2H"	-2.014552
"823697"	84.537474	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-2H"	-2.014552
"84782"	341.171724	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M-H"	-1.007276
"528716"	512.261224	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M-H"	-1.007276
"900685"	170.082224	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-H"	-1.007276
"57610"	358.198271	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M-2H+NH4"	16.019271
"496077"	529.287771	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M-2H+NH4"	16.019271
"868780"	187.108771	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-2H+NH4"	16.019271
"41785"	363.153666	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M-2H+Na"	20.974666
"484628"	534.243166	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M-2H+Na"	20.974666
"859148"	192.064166	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-2H+Na"	20.974666
"1631600"	192.064166	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Na-2H"	20.974666
"103032"	188.070563	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M-H+Cl"	33.962126
"549808"	273.615313	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M-H+Cl"	33.962126
"939386"	102.525813	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-H+Cl"	33.962126
"278672"	377.148402	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+Cl"	34.969402
"663803"	548.237902	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+Cl"	34.969402
"1283859"	206.058902	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Cl"	34.969402
"24227"	379.127606	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M-2H+K"	36.948606
"458322"	550.217106	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M-2H+K"	36.948606
"836124"	208.038106	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-2H+K"	36.948606
"1561802"	208.038106	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+K-2H"	36.948606
"948593"	216.087694	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-H+HCOOH"	44.998194
"365716"	387.177201	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+HCOOH-H"	44.998201
"360668"	401.192851	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+Hac-H"	59.013851
"1507322"	230.103351	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Hac-H"	59.013851
"973609"	238.069651	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-H+NaCOOH"	66.980151
"124736"	206.058902	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+2Cl"	69.938804
"565027"	291.603652	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+2Cl"	69.938804
"1036790"	120.514152	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2Cl"	69.938804
"1256682"	250.008385	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Br"	78.918885
"1319494"	252.064372	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Cl+HCOOH"	80.974872
"1327147"	274.046329	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Cl+NaCOOH"	102.956829
"924767"	284.075086	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M-H+CF3COOH"	112.985586
"1297101"	320.051764	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Cl+CF3COOH"	148.962264
"1374167"	136.076824	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H-2H2O"	-35.012676
"1387290"	154.0868	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H-H2O"	-17.0027
"293180"	343.186276	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+H"	1.007276
"685602"	514.275776	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+H"	1.007276
"1362314"	172.096776	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H"	1.007276
"135204"	172.096776	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+2H"	2.014552
"578773"	257.641526	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+2H"	2.014552
"1050124"	86.552026	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2H"	2.014552
"215836"	115.066942666667	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+3H"	3.021828
"656856"	172.096776	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+3H"	3.021828
"1174981"	58.0371093333333	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+3H"	3.021828
"433513"	360.212823	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+NH4"	18.033823
"796694"	531.302323	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+NH4"	18.033823
"1692662"	189.123323	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+NH4"	18.033823
"340210"	180.6100495	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+H+NH4"	19.041099
"727164"	266.1547995	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+H+NH4"	19.041099
"1485359"	95.0652995	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H+NH4"	19.041099
"402946"	365.168218	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+Na"	22.989218
"761755"	536.257718	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+Na"	22.989218
"1603412"	194.078718	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Na"	22.989218
"318799"	183.087747	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+H+Na"	23.996494
"720945"	268.632497	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+H+Na"	23.996494
"1474526"	97.542997	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H+Na"	23.996494
"1062668"	65.3644233333333	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2H+Na"	25.00377
"1272370"	204.122986	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+CH3OH+H"	33.033486
"391915"	381.142158	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+K"	38.963158
"750481"	552.231658	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+K"	38.963158
"1553626"	210.052658	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+K"	38.963158
"307520"	191.074717	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+H+K"	39.970434
"701036"	276.619467	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+H+K"	39.970434
"1451575"	105.529967	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H+K"	39.970434
"244551"	384.212826	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+ACN+H"	42.033826
"1219445"	213.123326	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+ACN+H"	42.033826
"1205518"	107.065301	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+ACN+2H"	43.041102
"198390"	387.15016	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+2Na-H"	44.97116
"640136"	558.23966	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+2Na-H"	44.97116
"1137084"	216.06066	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2Na-H"	44.97116
"182559"	194.078718	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+2Na"	45.978436
"614465"	279.623468	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+2Na"	45.978436
"1117238"	108.533968	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2Na"	45.978436
"1400401"	72.6917373333333	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H+2Na"	46.985712
"1431055"	218.102246	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H+HCOOH"	47.012746
"220387"	199.11174	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+3H2O+2H"	56.04448
"1510273"	232.15429	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+IsoProp+H"	61.06479
"409595"	202.065688	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+Na+K"	61.952376
"775334"	287.610438	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+Na+K"	61.952376
"1680548"	116.520938	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Na+K"	61.952376
"265492"	406.194768	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+ACN+Na"	64.015768
"1236372"	235.105268	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+ACN+Na"	64.015768
"1721979"	235.128793	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+NH4+HCOOH"	64.039293
"1191706"	80.0190513333333	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+3Na"	68.967654
"1658320"	240.084188	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Na+HCOOH"	68.994688
"165180"	419.09804	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+2K-H"	76.91904
"605834"	590.18754	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+2K-H"	76.91904
"1088159"	248.00854	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2K-H"	76.91904
"146069"	210.052658	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"2M+2K"	77.926316
"584900"	295.597408	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"3M+2K"	77.926316
"1073422"	124.507908	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2K"	77.926316
"1106632"	250.023092	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2K+H"	78.933592
"1340829"	250.110707	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+DMSO+H"	79.021207
"1012637"	254.149876	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2ACN+H"	83.060376
"1532952"	255.143508	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+IsoProp+Na+H"	84.054008
"995026"	127.578576	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+2ACN+2H"	84.067652
"1592810"	256.058128	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+K+HCOOH"	84.968628
"1422847"	286.089638	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+H+CF3COOH"	115.000138
"1153136"	148.091851	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+3ACN+2H"	125.094202
"1703781"	303.116185	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+NH4+CF3COOH"	132.026685
"1644898"	308.07158	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+Na+CF3COOH"	136.98208
"1579455"	324.04552	"C11837"	"N-Butyryl-L-homoserine lactone"	"C8H13NO3"	"171.0895"	"M+K+CF3COOH"	152.95602
"802164"	132.0423	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M"	0
"976789"	113.02391	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-H2O-H"	-19.01839
"69406"	87.020924	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M-3H"	-3.021828
"506059"	131.035024	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M-3H"	-3.021828
"883495"	43.006824	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-3H"	-3.021828
"5351"	131.035024	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M-2H"	-2.014552
"447097"	197.056174	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M-2H"	-2.014552
"820891"	65.013874	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-2H"	-2.014552
"84892"	263.077324	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M-H"	-1.007276
"521170"	395.119624	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M-H"	-1.007276
"898972"	131.035024	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-H"	-1.007276
"56627"	280.103871	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M-2H+NH4"	16.019271
"496187"	412.146171	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M-2H+NH4"	16.019271
"869621"	148.061571	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-2H+NH4"	16.019271
"40802"	285.059266	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M-2H+Na"	20.974666
"480365"	417.101566	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M-2H+Na"	20.974666
"859258"	153.016966	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-2H+Na"	20.974666
"1630981"	153.016966	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Na-2H"	20.974666
"100955"	149.023363	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M-H+Cl"	33.962126
"549388"	215.044513	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M-H+Cl"	33.962126
"939496"	83.002213	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-H+Cl"	33.962126
"270401"	299.054002	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+Cl"	34.969402
"665008"	431.096302	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+Cl"	34.969402
"1282877"	167.011702	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Cl"	34.969402
"28712"	301.033206	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M-2H+K"	36.948606
"459525"	433.075506	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M-2H+K"	36.948606
"836234"	168.990906	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-2H+K"	36.948606
"1558630"	168.990906	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+K-2H"	36.948606
"948703"	177.040494	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-H+HCOOH"	44.998194
"366919"	309.082801	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+HCOOH-H"	44.998201
"359686"	323.098451	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+Hac-H"	59.013851
"1508160"	191.056151	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Hac-H"	59.013851
"973961"	199.022451	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-H+NaCOOH"	66.980151
"125459"	167.011702	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+2Cl"	69.938804
"565626"	233.032852	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+2Cl"	69.938804
"1036855"	100.990552	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2Cl"	69.938804
"1256674"	210.961185	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Br"	78.918885
"1319364"	213.017172	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Cl+HCOOH"	80.974872
"1334550"	234.999129	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Cl+NaCOOH"	102.956829
"924149"	245.027886	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M-H+CF3COOH"	112.985586
"1304058"	281.004564	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Cl+CF3COOH"	148.962264
"1376464"	97.029624	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H-2H2O"	-35.012676
"1387400"	115.0396	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H-H2O"	-17.0027
"296207"	265.091876	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+H"	1.007276
"685348"	397.134176	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+H"	1.007276
"1362788"	133.049576	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H"	1.007276
"134949"	133.049576	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+2H"	2.014552
"577060"	199.070726	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+2H"	2.014552
"1045495"	67.028426	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2H"	2.014552
"215946"	89.035476	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+3H"	3.021828
"658059"	133.049576	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+3H"	3.021828
"1173632"	45.021376	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+3H"	3.021828
"431436"	282.118423	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+NH4"	18.033823
"792431"	414.160723	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+NH4"	18.033823
"1686576"	150.076123	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+NH4"	18.033823
"340320"	141.5628495	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+H+NH4"	19.041099
"724115"	207.5839995	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+H+NH4"	19.041099
"1485469"	75.5416995	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H+NH4"	19.041099
"398682"	287.073818	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+Na"	22.989218
"760771"	419.116118	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+Na"	22.989218
"1603885"	155.031518	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Na"	22.989218
"316722"	144.040547	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+H+Na"	23.996494
"721055"	210.061697	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+H+Na"	23.996494
"1476461"	78.019397	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H+Na"	23.996494
"1063871"	52.34869	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2H+Na"	25.00377
"1271630"	165.075786	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+CH3OH+H"	33.033486
"390687"	303.047758	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+K"	38.963158
"748404"	435.090058	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+K"	38.963158
"1551549"	171.005458	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+K"	38.963158
"308723"	152.027517	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+H+K"	39.970434
"700051"	218.048667	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+H+K"	39.970434
"1454965"	86.006367	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H+K"	39.970434
"244659"	306.118426	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+ACN+H"	42.033826
"1219554"	174.076126	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+ACN+H"	42.033826
"1201251"	87.541701	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+ACN+2H"	43.041102
"194121"	309.05576	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+2Na-H"	44.97116
"632586"	441.09806	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+2Na-H"	44.97116
"1137194"	177.01346	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2Na-H"	44.97116
"182669"	155.031518	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+2Na"	45.978436
"615303"	221.052668	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+2Na"	45.978436
"1116741"	89.010368	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2Na"	45.978436
"1400875"	59.676004	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H+2Na"	46.985712
"1431893"	179.055046	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H+HCOOH"	47.012746
"221221"	160.06454	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+3H2O+2H"	56.04448
"1509289"	193.10709	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+IsoProp+H"	61.06479
"409462"	163.018488	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+Na+K"	61.952376
"772164"	229.039638	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+Na+K"	61.952376
"1680904"	96.997338	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Na+K"	61.952376
"265601"	328.100368	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+ACN+Na"	64.015768
"1234295"	196.058068	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+ACN+Na"	64.015768
"1718808"	196.081593	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+NH4+HCOOH"	64.039293
"1188536"	67.003318	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+3Na"	68.967654
"1655149"	201.036988	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Na+HCOOH"	68.994688
"160918"	341.00364	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+2K-H"	76.91904
"603758"	473.04594	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+2K-H"	76.91904
"1090458"	208.96134	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2K-H"	76.91904
"147274"	171.005458	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"2M+2K"	77.926316
"583916"	237.026608	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"3M+2K"	77.926316
"1072074"	104.984308	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2K"	77.926316
"1104556"	210.975892	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2K+H"	78.933592
"1343126"	211.063507	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+DMSO+H"	79.021207
"1013841"	215.102676	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2ACN+H"	83.060376
"1534155"	216.096308	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+IsoProp+Na+H"	84.054008
"994043"	108.054976	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+2ACN+2H"	84.067652
"1591828"	217.010928	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+K+HCOOH"	84.968628
"1419677"	247.042438	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+H+CF3COOH"	115.000138
"1153246"	128.568251	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+3ACN+2H"	125.094202
"1703891"	264.068985	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+NH4+CF3COOH"	132.026685
"1645008"	269.02438	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+Na+CF3COOH"	136.98208
"1579565"	284.99832	"C11838"	"(S)-45-Dihydroxypentane-23-dione;(4S)-45-Dihydroxy-23-pentanedione"	"C5H8O4"	"132.0423"	"M+K+CF3COOH"	152.95602
"809930"	213.1001	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M"	0
"985649"	194.08171	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H2O-H"	-19.01839
"77174"	141.059457333333	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-3H"	-3.021828
"506898"	212.092824	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-3H"	-3.021828
"883605"	70.0260906666667	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-3H"	-3.021828
"7647"	212.092824	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H"	-2.014552
"451580"	318.642874	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H"	-2.014552
"823916"	105.542774	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H"	-2.014552
"92291"	425.192924	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-H"	-1.007276
"524561"	638.293024	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-H"	-1.007276
"899082"	212.092824	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H"	-1.007276
"53820"	442.219471	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H+NH4"	16.019271
"496297"	655.319571	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H+NH4"	16.019271
"873011"	229.119371	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H+NH4"	16.019271
"40912"	447.174866	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H+Na"	20.974666
"485700"	660.274966	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H+Na"	20.974666
"861554"	234.074766	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H+Na"	20.974666
"1629998"	234.074766	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na-2H"	20.974666
"98879"	230.081163	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-H+Cl"	33.962126
"546094"	336.631213	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-H+Cl"	33.962126
"937421"	123.531113	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+Cl"	33.962126
"269416"	461.169602	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Cl"	34.969402
"662932"	674.269702	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+Cl"	34.969402
"1282987"	248.069502	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl"	34.969402
"28822"	463.148806	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H+K"	36.948606
"458542"	676.248906	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H+K"	36.948606
"833791"	250.048706	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H+K"	36.948606
"1555860"	250.048706	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K-2H"	36.948606
"944435"	258.098294	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+HCOOH"	44.998194
"363745"	471.198401	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+HCOOH-H"	44.998201
"357475"	485.214051	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Hac-H"	59.013851
"1508025"	272.113951	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Hac-H"	59.013851
"973142"	280.080251	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+NaCOOH"	66.980151
"125321"	248.069502	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2Cl"	69.938804
"565331"	354.619552	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2Cl"	69.938804
"1036601"	141.519452	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2Cl"	69.938804
"1256173"	292.018985	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Br"	78.918885
"1319231"	294.074972	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl+HCOOH"	80.974872
"1334906"	316.056929	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl+NaCOOH"	102.956829
"925232"	326.085686	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+CF3COOH"	112.985586
"1302914"	362.062364	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl+CF3COOH"	148.962264
"1381804"	178.087424	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H-2H2O"	-35.012676
"1389697"	196.0974	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H-H2O"	-17.0027
"297411"	427.207476	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H"	1.007276
"687644"	640.307576	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H"	1.007276
"1363627"	214.107376	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H"	1.007276
"134695"	214.107376	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2H"	2.014552
"574982"	320.657426	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2H"	2.014552
"1045969"	107.557326	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2H"	2.014552
"214962"	143.074009333333	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+3H"	3.021828
"653430"	214.107376	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+3H"	3.021828
"1170460"	72.0406426666667	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+3H"	3.021828
"434826"	444.234023	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+NH4"	18.033823
"791446"	657.334123	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+NH4"	18.033823
"1693246"	231.133923	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+NH4"	18.033823
"340430"	222.6206495	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H+NH4"	19.041099
"724832"	329.1706995	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H+NH4"	19.041099
"1482299"	116.0705995	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+NH4"	19.041099
"398792"	449.189418	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Na"	22.989218
"757601"	662.289518	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+Na"	22.989218
"1605332"	236.089318	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na"	22.989218
"314886"	225.098347	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H+Na"	23.996494
"720193"	331.648397	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H+Na"	23.996494
"1475598"	118.548297	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+Na"	23.996494
"1063981"	79.3679566666667	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2H+Na"	25.00377
"1271860"	246.133586	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+CH3OH+H"	33.033486
"388610"	465.163358	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+K"	38.963158
"747419"	678.263458	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+K"	38.963158
"1548378"	252.063258	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K"	38.963158
"305552"	233.085317	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H+K"	39.970434
"699068"	339.635367	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H+K"	39.970434
"1455076"	126.535267	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+K"	39.970434
"243677"	468.234026	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+ACN+H"	42.033826
"1221855"	255.133926	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+ACN+H"	42.033826
"1206831"	128.070601	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+ACN+2H"	43.041102
"200432"	471.17136	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2Na-H"	44.97116
"639262"	684.27146	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2Na-H"	44.97116
"1139487"	258.07126	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2Na-H"	44.97116
"182779"	236.089318	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2Na"	45.978436
"616873"	342.639368	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2Na"	45.978436
"1116729"	129.539268	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2Na"	45.978436
"1407181"	86.6952706666667	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+2Na"	46.985712
"1432367"	260.112846	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+HCOOH"	47.012746
"221090"	241.12234	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+3H2O+2H"	56.04448
"1510861"	274.16489	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+IsoProp+H"	61.06479
"414561"	244.076288	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Na+K"	61.952376
"775554"	350.626338	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+Na+K"	61.952376
"1676264"	137.526238	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na+K"	61.952376
"257316"	490.215968	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+ACN+Na"	64.015768
"1233312"	277.115868	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+ACN+Na"	64.015768
"1720011"	277.139393	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+NH4+HCOOH"	64.039293
"1189376"	94.0225846666667	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+3Na"	68.967654
"1654166"	282.094788	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na+HCOOH"	68.994688
"163215"	503.11924	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2K-H"	76.91904
"603869"	716.21934	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2K-H"	76.91904
"1089474"	290.01914	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2K-H"	76.91904
"148477"	252.063258	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2K"	77.926316
"584026"	358.613308	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2K"	77.926316
"1075830"	145.513208	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2K"	77.926316
"1105759"	292.033692	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2K+H"	78.933592
"1344329"	292.121307	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+DMSO+H"	79.021207
"1012862"	296.160476	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2ACN+H"	83.060376
"1528800"	297.154108	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+IsoProp+Na+H"	84.054008
"992694"	148.583876	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2ACN+2H"	84.067652
"1591936"	298.068728	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K+HCOOH"	84.968628
"1417960"	328.100238	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+CF3COOH"	115.000138
"1150074"	169.097151	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+3ACN+2H"	125.094202
"1700720"	345.126785	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+NH4+CF3COOH"	132.026685
"1645118"	350.08218	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na+CF3COOH"	136.98208
"1579675"	366.05612	"C11839"	"N-(3-Oxohexanoyl)homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K+CF3COOH"	152.95602
"806758"	297.194	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M"	0
"983573"	278.17561	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-H2O-H"	-19.01839
"77284"	197.122057333333	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M-3H"	-3.021828
"509194"	296.186724	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M-3H"	-3.021828
"885902"	98.0573906666667	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-3H"	-3.021828
"12130"	296.186724	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M-2H"	-2.014552
"451690"	444.783724	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M-2H"	-2.014552
"827306"	147.589724	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-2H"	-2.014552
"89485"	593.380724	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M-H"	-1.007276
"526858"	890.574724	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M-H"	-1.007276
"898827"	296.186724	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-H"	-1.007276
"52473"	610.407271	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M-2H+NH4"	16.019271
"496407"	907.601271	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M-2H+NH4"	16.019271
"875307"	313.213271	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-2H+NH4"	16.019271
"43208"	615.362666	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M-2H+Na"	20.974666
"486783"	912.556666	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M-2H+Na"	20.974666
"861300"	318.168666	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-2H+Na"	20.974666
"1631201"	318.168666	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Na-2H"	20.974666
"98989"	314.175063	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M-H+Cl"	33.962126
"544019"	462.772063	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M-H+Cl"	33.962126
"938626"	165.578063	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-H+Cl"	33.962126
"270619"	629.357402	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+Cl"	34.969402
"664135"	926.551402	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+Cl"	34.969402
"1285284"	332.163402	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Cl"	34.969402
"30025"	631.336606	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M-2H+K"	36.948606
"456829"	928.530606	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M-2H+K"	36.948606
"836453"	334.142606	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-2H+K"	36.948606
"1557510"	334.142606	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+K-2H"	36.948606
"945638"	342.192194	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-H+HCOOH"	44.998194
"363490"	639.386201	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+HCOOH-H"	44.998201
"357585"	653.401851	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+Hac-H"	59.013851
"1508436"	356.207851	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Hac-H"	59.013851
"973975"	364.174151	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-H+NaCOOH"	66.980151
"125071"	332.163402	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+2Cl"	69.938804
"565563"	480.760402	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+2Cl"	69.938804
"1036469"	183.566402	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2Cl"	69.938804
"1256486"	376.112885	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Br"	78.918885
"1319466"	378.168872	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Cl+HCOOH"	80.974872
"1334893"	400.150829	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Cl+NaCOOH"	102.956829
"924733"	410.179586	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M-H+CF3COOH"	112.985586
"1303833"	446.156264	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Cl+CF3COOH"	148.962264
"1382522"	262.181324	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H-2H2O"	-35.012676
"1391995"	280.1913	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H-H2O"	-17.0027
"290591"	595.395276	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+H"	1.007276
"686660"	892.589276	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+H"	1.007276
"1361185"	298.201276	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H"	1.007276
"136627"	298.201276	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+2H"	2.014552
"575457"	446.798276	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+2H"	2.014552
"1046444"	149.604276	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2H"	2.014552
"213979"	199.136609333333	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+3H"	3.021828
"654633"	298.201276	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+3H"	3.021828
"1170570"	100.071942666667	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+3H"	3.021828
"431656"	612.421823	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+NH4"	18.033823
"791556"	909.615823	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+NH4"	18.033823
"1685335"	315.227823	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+NH4"	18.033823
"337255"	306.7145495	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+H+NH4"	19.041099
"724211"	455.3115495	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+H+NH4"	19.041099
"1482409"	158.1175495	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H+NH4"	19.041099
"401089"	617.377218	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+Na"	22.989218
"760991"	914.571218	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+Na"	22.989218
"1606900"	320.183218	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Na"	22.989218
"318033"	309.192247	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+H+Na"	23.996494
"720303"	457.789247	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+H+Na"	23.996494
"1473763"	160.595247	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H+Na"	23.996494
"1064090"	107.399256666667	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2H+Na"	25.00377
"1269051"	330.227486	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+CH3OH+H"	33.033486
"384346"	633.351158	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+K"	38.963158
"745342"	930.545158	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+K"	38.963158
"1547394"	336.157158	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+K"	38.963158
"305662"	317.179217	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+H+K"	39.970434
"696991"	465.776217	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+H+K"	39.970434
"1454092"	168.582217	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H+K"	39.970434
"242693"	636.421826	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+ACN+H"	42.033826
"1221965"	339.227826	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+ACN+H"	42.033826
"1203660"	170.117551	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+ACN+2H"	43.041102
"198717"	639.35916	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+2Na-H"	44.97116
"639372"	936.55316	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+2Na-H"	44.97116
"1140688"	342.16516	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2Na-H"	44.97116
"179609"	320.183218	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+2Na"	45.978436
"617347"	468.780218	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+2Na"	45.978436
"1118664"	171.586218	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2Na"	45.978436
"1406198"	114.726570666667	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H+2Na"	46.985712
"1431753"	344.206746	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H+HCOOH"	47.012746
"220835"	325.21624	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+3H2O+2H"	56.04448
"1512795"	358.25879	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+IsoProp+H"	61.06479
"416856"	328.170188	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+Na+K"	61.952376
"775664"	476.767188	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+Na+K"	61.952376
"1674187"	179.573188	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Na+K"	61.952376
"258517"	658.403768	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+ACN+Na"	64.015768
"1232693"	361.209768	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+ACN+Na"	64.015768
"1720851"	361.233293	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+NH4+HCOOH"	64.039293
"1189850"	122.053884666667	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+3Na"	68.967654
"1654276"	366.188688	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Na+HCOOH"	68.994688
"163325"	671.30704	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+2K-H"	76.91904
"602886"	968.50104	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+2K-H"	76.91904
"1090677"	374.11304	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2K-H"	76.91904
"150774"	336.157158	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"2M+2K"	77.926316
"583771"	484.754158	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"3M+2K"	77.926316
"1075940"	187.560158	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2K"	77.926316
"1105869"	376.127592	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2K+H"	78.933592
"1342253"	376.215207	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+DMSO+H"	79.021207
"1011879"	380.254376	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2ACN+H"	83.060376
"1528910"	381.248008	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+IsoProp+Na+H"	84.054008
"994262"	190.630826	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+2ACN+2H"	84.067652
"1596419"	382.162628	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+K+HCOOH"	84.968628
"1419892"	412.194138	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+H+CF3COOH"	115.000138
"1149090"	211.144101	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+3ACN+2H"	125.094202
"1700830"	429.220685	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+NH4+CF3COOH"	132.026685
"1641948"	434.17608	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+Na+CF3COOH"	136.98208
"1579785"	450.15002	"C11840"	"N-(3-Oxododecanoyl)homoserine lactone"	"C16H27NO4"	"297.194"	"M+K+CF3COOH"	152.95602
"801504"	241.1314	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M"	0
"979309"	222.11301	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-H2O-H"	-19.01839
"70833"	159.746990666667	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M-3H"	-3.021828
"507118"	240.124124	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M-3H"	-3.021828
"887106"	79.3698573333333	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-3H"	-3.021828
"11147"	240.124124	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M-2H"	-2.014552
"451800"	360.689824	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M-2H"	-2.014552
"821949"	119.558424	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-2H"	-2.014552
"88502"	481.255524	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M-H"	-1.007276
"526968"	722.386924	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M-H"	-1.007276
"898574"	240.124124	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-H"	-1.007276
"53676"	498.282071	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M-2H+NH4"	16.019271
"491414"	739.413471	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M-2H+NH4"	16.019271
"872137"	257.150671	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-2H+NH4"	16.019271
"41132"	503.237466	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M-2H+Na"	20.974666
"481788"	744.368866	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M-2H+Na"	20.974666
"857401"	262.106066	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-2H+Na"	20.974666
"1630218"	262.106066	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Na-2H"	20.974666
"97997"	258.112463	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M-H+Cl"	33.962126
"547405"	378.678163	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M-H+Cl"	33.962126
"938737"	137.546763	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-H+Cl"	33.962126
"277293"	517.232202	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+Cl"	34.969402
"673356"	758.363602	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+Cl"	34.969402
"1281020"	276.100802	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Cl"	34.969402
"27584"	519.211406	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M-2H+K"	36.948606
"459858"	760.342806	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M-2H+K"	36.948606
"836566"	278.080006	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-2H+K"	36.948606
"1557869"	278.080006	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+K-2H"	36.948606
"944657"	286.129594	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-H+HCOOH"	44.998194
"362870"	527.261001	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+HCOOH-H"	44.998201
"357695"	541.276651	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+Hac-H"	59.013851
"1507646"	300.145251	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Hac-H"	59.013851
"973966"	308.111551	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-H+NaCOOH"	66.980151
"125424"	276.100802	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+2Cl"	69.938804
"565435"	396.666502	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+2Cl"	69.938804
"1036900"	155.535102	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2Cl"	69.938804
"1256640"	320.050285	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Br"	78.918885
"1319209"	322.106272	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Cl+HCOOH"	80.974872
"1335003"	344.088229	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Cl+NaCOOH"	102.956829
"924479"	354.116986	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M-H+CF3COOH"	112.985586
"1302526"	390.093664	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Cl+CF3COOH"	148.962264
"1380686"	206.118724	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H-2H2O"	-35.012676
"1388825"	224.1287	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H-H2O"	-17.0027
"293984"	483.270076	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+H"	1.007276
"689931"	724.401476	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+H"	1.007276
"1360933"	242.138676	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H"	1.007276
"135643"	242.138676	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+2H"	2.014552
"574838"	362.704376	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+2H"	2.014552
"1046918"	121.572976	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2H"	2.014552
"214089"	161.761542666667	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+3H"	3.021828
"654743"	242.138676	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+3H"	3.021828
"1170680"	81.3844093333333	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+3H"	3.021828
"431766"	500.296623	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+NH4"	18.033823
"791666"	741.428023	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+NH4"	18.033823
"1685081"	259.165223	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+NH4"	18.033823
"335179"	250.6519495	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+H+NH4"	19.041099
"723958"	371.2176495	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+H+NH4"	19.041099
"1486894"	130.0862495	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H+NH4"	19.041099
"397919"	505.252018	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+Na"	22.989218
"760008"	746.383418	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+Na"	22.989218
"1608103"	264.120618	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Na"	22.989218
"315224"	253.129647	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+H+Na"	23.996494
"720780"	373.695347	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+H+Na"	23.996494
"1473144"	132.563947	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H+Na"	23.996494
"1062014"	88.7117233333333	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2H+Na"	25.00377
"1265881"	274.164886	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+CH3OH+H"	33.033486
"383361"	521.225958	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+K"	38.963158
"743265"	762.357358	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+K"	38.963158
"1546411"	280.094558	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+K"	38.963158
"304679"	261.116617	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+H+K"	39.970434
"693818"	381.682317	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+H+K"	39.970434
"1452015"	140.550917	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H+K"	39.970434
"243897"	524.296626	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+ACN+H"	42.033826
"1216605"	283.165226	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+ACN+H"	42.033826
"1198301"	142.086251	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+ACN+2H"	43.041102
"194452"	527.23396	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+2Na-H"	44.97116
"637293"	768.36536	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+2Na-H"	44.97116
"1137517"	286.10256	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2Na-H"	44.97116
"180812"	264.120618	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+2Na"	45.978436
"616000"	384.686318	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+2Na"	45.978436
"1119505"	143.554918	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2Na"	45.978436
"1404122"	96.0390373333333	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H+2Na"	46.985712
"1432958"	288.144146	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H+HCOOH"	47.012746
"220463"	269.15364	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+3H2O+2H"	56.04448
"1513633"	302.19619	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+IsoProp+H"	61.06479
"415873"	272.107588	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+Na+K"	61.952376
"774681"	392.673288	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+Na+K"	61.952376
"1677580"	151.541888	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Na+K"	61.952376
"260815"	546.278568	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+ACN+Na"	64.015768
"1234261"	305.147168	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+ACN+Na"	64.015768
"1722054"	305.170693	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+NH4+HCOOH"	64.039293
"1191053"	103.366351333333	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+3Na"	68.967654
"1656573"	310.126088	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Na+HCOOH"	68.994688
"164528"	559.18184	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+2K-H"	76.91904
"602996"	800.31324	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+2K-H"	76.91904
"1089694"	318.05044	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2K-H"	76.91904
"149791"	280.094558	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"2M+2K"	77.926316
"583881"	400.660258	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"3M+2K"	77.926316
"1073864"	159.528858	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2K"	77.926316
"1103790"	320.064992	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2K+H"	78.933592
"1342363"	320.152607	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+DMSO+H"	79.021207
"1009802"	324.191776	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2ACN+H"	83.060376
"1526834"	325.185408	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+IsoProp+Na+H"	84.054008
"994372"	162.599526	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+2ACN+2H"	84.067652
"1594343"	326.100028	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+K+HCOOH"	84.968628
"1418909"	356.131538	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+H+CF3COOH"	115.000138
"1149565"	183.112801	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+3ACN+2H"	125.094202
"1700940"	373.158085	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+NH4+CF3COOH"	132.026685
"1642058"	378.11348	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+Na+CF3COOH"	136.98208
"1579895"	394.08742	"C11841"	"N-(3-Oxooctanoyl)homoserine lactone;N-(3-Oxooctanoyl)-L-homoserine lactone;OOHL"	"C12H19NO4"	"241.1314"	"M+K+CF3COOH"	152.95602
"812448"	187.0845	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M"	0
"980512"	168.06611	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H2O-H"	-19.01839
"76415"	123.715724	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-3H"	-3.021828
"505401"	186.077224	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-3H"	-3.021828
"887216"	61.354224	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-3H"	-3.021828
"4698"	186.077224	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H"	-2.014552
"444258"	279.619474	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H"	-2.014552
"826436"	92.534974	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H"	-2.014552
"84241"	373.161724	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-H"	-1.007276
"528175"	560.246224	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-H"	-1.007276
"904882"	186.077224	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H"	-1.007276
"57071"	390.188271	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H+NH4"	16.019271
"497723"	577.272771	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H+NH4"	16.019271
"873342"	203.103771	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H+NH4"	16.019271
"46429"	395.143666	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H+Na"	20.974666
"484086"	582.228166	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H+Na"	20.974666
"862624"	208.059166	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H+Na"	20.974666
"1631428"	208.059166	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na-2H"	20.974666
"108807"	204.065563	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-H+Cl"	33.962126
"548977"	297.607813	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-H+Cl"	33.962126
"938847"	110.523313	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+Cl"	33.962126
"274122"	409.138402	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Cl"	34.969402
"669823"	596.222902	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+Cl"	34.969402
"1277851"	222.053902	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl"	34.969402
"23685"	411.117606	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H+K"	36.948606
"463248"	598.202106	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H+K"	36.948606
"839958"	224.033106	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H+K"	36.948606
"1556520"	224.033106	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K-2H"	36.948606
"944037"	232.082694	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+HCOOH"	44.998194
"366266"	419.167201	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+HCOOH-H"	44.998201
"356712"	433.182851	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Hac-H"	59.013851
"1507016"	246.098351	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Hac-H"	59.013851
"973709"	254.064651	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+NaCOOH"	66.980151
"125660"	222.053902	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2Cl"	69.938804
"565459"	315.596152	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2Cl"	69.938804
"1036442"	128.511652	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2Cl"	69.938804
"1254316"	266.003385	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Br"	78.918885
"1319195"	268.059372	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl+HCOOH"	80.974872
"1333532"	290.041329	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl+NaCOOH"	102.956829
"924590"	300.070086	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+CF3COOH"	112.985586
"1302757"	336.046764	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl+CF3COOH"	148.962264
"1379095"	152.071824	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H-2H2O"	-35.012676
"1390029"	170.0818	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H-H2O"	-17.0027
"294094"	375.176276	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H"	1.007276
"688340"	562.260776	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H"	1.007276
"1361043"	188.091776	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H"	1.007276
"132839"	188.091776	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2H"	2.014552
"573492"	281.634026	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2H"	2.014552
"1047758"	94.549526	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2H"	2.014552
"213107"	125.730276	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+3H"	3.021828
"656311"	188.091776	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+3H"	3.021828
"1170790"	63.368776	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+3H"	3.021828
"435156"	392.202823	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+NH4"	18.033823
"793967"	579.287323	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+NH4"	18.033823
"1691026"	205.118323	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+NH4"	18.033823
"341492"	196.6050495	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H+NH4"	19.041099
"735737"	290.1472995	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H+NH4"	19.041099
"1484817"	103.0627995	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+NH4"	19.041099
"401309"	397.158218	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Na"	22.989218
"762305"	584.242718	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+Na"	22.989218
"1610402"	210.073718	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na"	22.989218
"323359"	199.082747	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H+Na"	23.996494
"712872"	292.624997	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H+Na"	23.996494
"1465600"	105.540497	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+Na"	23.996494
"1059939"	70.69609	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2H+Na"	25.00377
"1263075"	220.117986	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+CH3OH+H"	33.033486
"386754"	413.132158	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+K"	38.963158
"742283"	600.216658	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+K"	38.963158
"1548709"	226.047658	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K"	38.963158
"303698"	207.069717	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H+K"	39.970434
"693565"	300.611967	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H+K"	39.970434
"1449209"	113.527467	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+K"	39.970434
"244009"	416.202826	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+ACN+H"	42.033826
"1217810"	229.118326	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+ACN+H"	42.033826
"1202788"	115.062801	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+ACN+2H"	43.041102
"201854"	419.14016	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2Na-H"	44.97116
"637406"	606.22466	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2Na-H"	44.97116
"1142004"	232.05566	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2Na-H"	44.97116
"180923"	210.073718	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2Na"	45.978436
"619390"	303.615968	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2Na"	45.978436
"1116699"	116.531468	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2Na"	45.978436
"1403140"	78.023404	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+2Na"	46.985712
"1430142"	234.097246	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+HCOOH"	47.012746
"223860"	215.10674	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+3H2O+2H"	56.04448
"1516296"	248.14929	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+IsoProp+H"	61.06479
"415986"	218.060688	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Na+K"	61.952376
"779167"	311.602938	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+Na+K"	61.952376
"1675501"	124.518438	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na+K"	61.952376
"259834"	438.184768	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+ACN+Na"	64.015768
"1234728"	251.100268	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+ACN+Na"	64.015768
"1721434"	251.123793	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+NH4+HCOOH"	64.039293
"1183508"	85.350718	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+3Na"	68.967654
"1656682"	256.079188	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na+HCOOH"	68.994688
"164637"	451.08804	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2K-H"	76.91904
"602010"	638.17254	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2K-H"	76.91904
"1087616"	264.00354	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2K-H"	76.91904
"142972"	226.047658	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2K"	77.926316
"582533"	319.589908	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2K"	77.926316
"1071056"	132.505408	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2K"	77.926316
"1106089"	266.018092	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2K+H"	78.933592
"1340285"	266.105707	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+DMSO+H"	79.021207
"1007722"	270.144876	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2ACN+H"	83.060376
"1532408"	271.138508	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+IsoProp+Na+H"	84.054008
"994481"	135.576076	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2ACN+2H"	84.067652
"1591173"	272.053128	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K+HCOOH"	84.968628
"1416833"	302.084638	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+CF3COOH"	115.000138
"1150405"	156.089351	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+3ACN+2H"	125.094202
"1704328"	319.111185	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+NH4+CF3COOH"	132.026685
"1644354"	324.06658	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na+CF3COOH"	136.98208
"1580005"	340.04052	"C11842"	"N-(3-(S)-Hydroxybutyryl)homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K+CF3COOH"	152.95602
"816569"	189.1001	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M"	0
"988647"	170.08171	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-H2O-H"	-19.01839
"73246"	125.059457333333	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M-3H"	-3.021828
"508429"	188.092824	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M-3H"	-3.021828
"887325"	62.0260906666667	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-3H"	-3.021828
"8089"	188.092824	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M-2H"	-2.014552
"452023"	282.642874	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M-2H"	-2.014552
"829827"	93.542774	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-2H"	-2.014552
"89819"	377.192924	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M-H"	-1.007276
"528286"	566.293024	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M-H"	-1.007276
"903899"	188.092824	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-H"	-1.007276
"57181"	394.219471	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M-2H+NH4"	16.019271
"499659"	583.319571	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M-2H+NH4"	16.019271
"873451"	205.119371	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-2H+NH4"	16.019271
"40261"	399.174866	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M-2H+Na"	20.974666
"480915"	588.274966	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M-2H+Na"	20.974666
"862728"	210.074766	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-2H+Na"	20.974666
"1632266"	210.074766	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Na-2H"	20.974666
"101508"	206.081163	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M-H+Cl"	33.962126
"541065"	300.631213	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M-H+Cl"	33.962126
"936766"	111.531113	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-H+Cl"	33.962126
"272044"	413.169602	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+Cl"	34.969402
"668839"	602.269702	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+Cl"	34.969402
"1277960"	224.069502	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Cl"	34.969402
"19425"	415.148806	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M-2H+K"	36.948606
"462265"	604.248906	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M-2H+K"	36.948606
"836787"	226.048706	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-2H+K"	36.948606
"1557113"	226.048706	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+K-2H"	36.948606
"943904"	234.098294	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-H+HCOOH"	44.998194
"366374"	423.198401	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+HCOOH-H"	44.998201
"360478"	437.214051	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+Hac-H"	59.013851
"1508100"	248.113951	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Hac-H"	59.013851
"973451"	256.080251	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-H+NaCOOH"	66.980151
"125035"	224.069502	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+2Cl"	69.938804
"564958"	318.619552	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+2Cl"	69.938804
"1036307"	129.519452	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2Cl"	69.938804
"1256495"	268.018985	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Br"	78.918885
"1319063"	270.074972	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Cl+HCOOH"	80.974872
"1335104"	292.056929	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Cl+NaCOOH"	102.956829
"926968"	302.085686	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M-H+CF3COOH"	112.985586
"1304019"	338.062364	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Cl+CF3COOH"	148.962264
"1377019"	154.087424	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H-2H2O"	-35.012676
"1397800"	172.0974	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H-H2O"	-17.0027
"298096"	379.207476	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+H"	1.007276
"685170"	568.307576	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+H"	1.007276
"1358601"	190.107376	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H"	1.007276
"135864"	190.107376	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+2H"	2.014552
"578706"	284.657426	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+2H"	2.014552
"1049327"	95.557326	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2H"	2.014552
"216501"	127.074009333333	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+3H"	3.021828
"652775"	190.107376	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+3H"	3.021828
"1171993"	64.0406426666667	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+3H"	3.021828
"434901"	396.234023	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+NH4"	18.033823
"796627"	585.334123	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+NH4"	18.033823
"1692229"	207.133923	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+NH4"	18.033823
"341967"	198.6206495	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+H+NH4"	19.041099
"728189"	293.1706995	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+H+NH4"	19.041099
"1481647"	104.0705995	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H+NH4"	19.041099
"401419"	401.189418	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+Na"	22.989218
"758041"	590.289518	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+Na"	22.989218
"1610514"	212.089318	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Na"	22.989218
"324569"	201.098347	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+H+Na"	23.996494
"711887"	295.648397	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+H+Na"	23.996494
"1464980"	106.548297	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H+Na"	23.996494
"1060049"	71.3679566666667	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2H+Na"	25.00377
"1260997"	222.133586	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+CH3OH+H"	33.033486
"379938"	417.163358	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+K"	38.963158
"744579"	606.263458	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+K"	38.963158
"1549912"	228.063258	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+K"	38.963158
"307088"	209.085317	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+H+K"	39.970434
"699510"	303.635367	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+H+K"	39.970434
"1454422"	114.535267	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H+K"	39.970434
"246304"	420.234026	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+ACN+H"	42.033826
"1221202"	231.133926	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+ACN+H"	42.033826
"1205089"	116.070601	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+ACN+2H"	43.041102
"200875"	423.17136	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+2Na-H"	44.97116
"640432"	612.27146	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+2Na-H"	44.97116
"1134463"	234.07126	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2Na-H"	44.97116
"173864"	212.089318	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+2Na"	45.978436
"614034"	306.639368	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+2Na"	45.978436
"1115791"	117.539268	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2Na"	45.978436
"1404344"	78.6952706666667	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H+2Na"	46.985712
"1430051"	236.112846	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H+HCOOH"	47.012746
"222877"	217.12234	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+3H2O+2H"	56.04448
"1515314"	250.16489	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+IsoProp+H"	61.06479
"419377"	220.076288	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+Na+K"	61.952376
"781469"	314.626338	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+Na+K"	61.952376
"1678166"	125.526238	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Na+K"	61.952376
"259944"	442.215968	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+ACN+Na"	64.015768
"1237762"	253.115868	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+ACN+Na"	64.015768
"1720450"	253.139393	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+NH4+HCOOH"	64.039293
"1184712"	86.0225846666667	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+3Na"	68.967654
"1653511"	258.094788	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Na+HCOOH"	68.994688
"164748"	455.11924	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+2K-H"	76.91904
"603214"	644.21934	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+2K-H"	76.91904
"1087726"	266.01914	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2K-H"	76.91904
"144541"	228.063258	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"2M+2K"	77.926316
"584103"	322.613308	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"3M+2K"	77.926316
"1070436"	133.513208	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2K"	77.926316
"1109480"	268.033692	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2K+H"	78.933592
"1342583"	268.121307	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+DMSO+H"	79.021207
"1012205"	272.160476	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2ACN+H"	83.060376
"1531424"	273.154108	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+IsoProp+Na+H"	84.054008
"994591"	136.583876	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+2ACN+2H"	84.067652
"1593469"	274.068728	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+K+HCOOH"	84.968628
"1421317"	304.100238	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+H+CF3COOH"	115.000138
"1153795"	157.097151	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+3ACN+2H"	125.094202
"1700064"	321.126785	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+NH4+CF3COOH"	132.026685
"1645556"	326.08218	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+Na+CF3COOH"	136.98208
"1580115"	342.05612	"C11843"	"2 -(Butylamido)-4-hydroxybutanoic acid"	"C8H15NO4"	"189.1001"	"M+K+CF3COOH"	152.95602
"815951"	213.1365	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M"	0
"985113"	194.11811	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-H2O-H"	-19.01839
"72261"	141.083724	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M-3H"	-3.021828
"516192"	212.129224	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M-3H"	-3.021828
"887434"	70.038224	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-3H"	-3.021828
"9290"	212.129224	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M-2H"	-2.014552
"453225"	318.697474	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M-2H"	-2.014552
"827747"	105.560974	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-2H"	-2.014552
"86646"	425.265724	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M-H"	-1.007276
"524020"	638.402224	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M-H"	-1.007276
"909110"	212.129224	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-H"	-1.007276
"56198"	442.292271	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M-2H+NH4"	16.019271
"497946"	655.428771	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M-2H+NH4"	16.019271
"874654"	229.155771	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-2H+NH4"	16.019271
"40369"	447.247666	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M-2H+Na"	20.974666
"478838"	660.384166	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M-2H+Na"	20.974666
"863202"	234.111166	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-2H+Na"	20.974666
"1631645"	234.111166	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Na-2H"	20.974666
"99428"	230.117563	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M-H+Cl"	33.962126
"545551"	336.685813	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M-H+Cl"	33.962126
"940156"	123.549313	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-H+Cl"	33.962126
"273247"	461.242402	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+Cl"	34.969402
"674415"	674.378902	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+Cl"	34.969402
"1284627"	248.105902	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Cl"	34.969402
"19535"	463.221606	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M-2H+K"	36.948606
"457271"	676.358106	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M-2H+K"	36.948606
"840177"	250.085106	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-2H+K"	36.948606
"1556372"	250.085106	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+K-2H"	36.948606
"948272"	258.134694	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-H+HCOOH"	44.998194
"375976"	471.271201	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+HCOOH-H"	44.998201
"360224"	485.286851	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+Hac-H"	59.013851
"1507233"	272.150351	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Hac-H"	59.013851
"972220"	280.116651	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-H+NaCOOH"	66.980151
"124662"	248.105902	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+2Cl"	69.938804
"563606"	354.674152	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+2Cl"	69.938804
"1035691"	141.537652	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2Cl"	69.938804
"1255994"	292.055385	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Br"	78.918885
"1318809"	294.111372	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Cl+HCOOH"	80.974872
"1333393"	316.093329	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Cl+NaCOOH"	102.956829
"925905"	326.122086	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M-H+CF3COOH"	112.985586
"1297873"	362.098764	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Cl+CF3COOH"	148.962264
"1378223"	178.123824	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H-2H2O"	-35.012676
"1395722"	196.1338	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H-H2O"	-17.0027
"295407"	427.280276	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+H"	1.007276
"688194"	640.416776	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+H"	1.007276
"1358711"	214.143776	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H"	1.007276
"135973"	214.143776	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+2H"	2.014552
"574440"	320.712026	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+2H"	2.014552
"1049434"	107.575526	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2H"	2.014552
"216971"	143.098276	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+3H"	3.021828
"654708"	214.143776	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+3H"	3.021828
"1173926"	72.052776	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+3H"	3.021828
"436104"	444.306823	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+NH4"	18.033823
"797101"	657.443323	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+NH4"	18.033823
"1690516"	231.170323	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+NH4"	18.033823
"337701"	222.6570495	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+H+NH4"	19.041099
"725747"	329.2252995	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+H+NH4"	19.041099
"1481757"	116.0887995	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H+NH4"	19.041099
"396060"	449.262218	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+Na"	22.989218
"764715"	662.398718	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+Na"	22.989218
"1617437"	236.125718	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Na"	22.989218
"326139"	225.134747	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+H+Na"	23.996494
"711266"	331.702997	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+H+Na"	23.996494
"1465451"	118.566497	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H+Na"	23.996494
"1060155"	79.38009	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2H+Na"	25.00377
"1262928"	246.169986	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+CH3OH+H"	33.033486
"382598"	465.236158	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+K"	38.963158
"744686"	678.372658	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+K"	38.963158
"1546742"	252.099658	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+K"	38.963158
"308291"	233.121717	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+H+K"	39.970434
"697431"	339.689967	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+H+K"	39.970434
"1455625"	126.553467	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H+K"	39.970434
"247506"	468.306826	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+ACN+H"	42.033826
"1220219"	255.170326	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+ACN+H"	42.033826
"1203007"	128.088801	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+ACN+2H"	43.041102
"200252"	471.24416	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+2Na-H"	44.97116
"637626"	684.38066	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+2Na-H"	44.97116
"1132748"	258.10766	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2Na-H"	44.97116
"180047"	236.125718	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+2Na"	45.978436
"619608"	342.693968	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+2Na"	45.978436
"1118741"	129.557468	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2Na"	45.978436
"1404454"	86.707404	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H+2Na"	46.985712
"1435474"	260.149246	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H+HCOOH"	47.012746
"220120"	241.15874	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+3H2O+2H"	56.04448
"1516517"	274.20129	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+IsoProp+H"	61.06479
"419486"	244.112688	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+Na+K"	61.952376
"780482"	350.680938	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+Na+K"	61.952376
"1676816"	137.544438	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Na+K"	61.952376
"262243"	490.288768	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+ACN+Na"	64.015768
"1232766"	277.152268	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+ACN+Na"	64.015768
"1719466"	277.175793	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+NH4+HCOOH"	64.039293
"1185914"	94.034718	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+3Na"	68.967654
"1655807"	282.131188	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Na+HCOOH"	68.994688
"164856"	503.19204	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+2K-H"	76.91904
"602230"	716.32854	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+2K-H"	76.91904
"1085647"	290.05554	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2K-H"	76.91904
"145380"	252.099658	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"2M+2K"	77.926316
"583117"	358.667908	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"3M+2K"	77.926316
"1073098"	145.531408	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2K"	77.926316
"1107403"	292.070092	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2K+H"	78.933592
"1341601"	292.157707	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+DMSO+H"	79.021207
"1010128"	296.196876	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2ACN+H"	83.060376
"1527523"	297.190508	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+IsoProp+Na+H"	84.054008
"994699"	148.602076	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+2ACN+2H"	84.067652
"1590298"	298.105128	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+K+HCOOH"	84.968628
"1420334"	328.136638	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+H+CF3COOH"	115.000138
"1152808"	169.115351	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+3ACN+2H"	125.094202
"1700174"	345.163185	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+NH4+CF3COOH"	132.026685
"1639107"	350.11858	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+Na+CF3COOH"	136.98208
"1580225"	366.09252	"C11844"	"N-Heptanoylhomoserine lactone"	"C11H19NO3"	"213.1365"	"M+K+CF3COOH"	152.95602
"807308"	325.2253	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M"	0
"984130"	306.20691	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-H2O-H"	-19.01839
"73466"	215.809590666667	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M-3H"	-3.021828
"515208"	324.218024	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M-3H"	-3.021828
"889731"	107.401157333333	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-3H"	-3.021828
"13773"	324.218024	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M-2H"	-2.014552
"452242"	486.830674	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M-2H"	-2.014552
"830043"	161.605374	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-2H"	-2.014552
"86756"	649.443324	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M-H"	-1.007276
"523036"	974.668624	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M-H"	-1.007276
"906303"	324.218024	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-H"	-1.007276
"57401"	666.469871	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M-2H+NH4"	16.019271
"499149"	991.695171	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M-2H+NH4"	16.019271
"874764"	341.244571	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-2H+NH4"	16.019271
"41572"	671.425266	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M-2H+Na"	20.974666
"480041"	996.650566	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M-2H+Na"	20.974666
"863191"	346.199966	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-2H+Na"	20.974666
"1631756"	346.199966	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Na-2H"	20.974666
"105006"	342.206363	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M-H+Cl"	33.962126
"547483"	504.819013	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M-H+Cl"	33.962126
"942332"	179.593713	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-H+Cl"	33.962126
"273357"	685.420002	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+Cl"	34.969402
"672337"	1010.645302	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+Cl"	34.969402
"1287980"	360.194702	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Cl"	34.969402
"21830"	687.399206	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M-2H+K"	36.948606
"463579"	1012.624506	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M-2H+K"	36.948606
"837007"	362.173906	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-2H+K"	36.948606
"1560492"	362.173906	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+K-2H"	36.948606
"949474"	370.223494	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-H+HCOOH"	44.998194
"376570"	695.448801	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+HCOOH-H"	44.998201
"360336"	709.464451	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+Hac-H"	59.013851
"1506616"	384.239151	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Hac-H"	59.013851
"973793"	392.205451	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-H+NaCOOH"	66.980151
"125546"	360.194702	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+2Cl"	69.938804
"564808"	522.807352	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+2Cl"	69.938804
"1037033"	197.582052	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2Cl"	69.938804
"1256833"	404.144185	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Br"	78.918885
"1319879"	406.200172	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Cl+HCOOH"	80.974872
"1335448"	428.182129	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Cl+NaCOOH"	102.956829
"926944"	438.210886	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M-H+CF3COOH"	112.985586
"1304159"	474.187564	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Cl+CF3COOH"	148.962264
"1378333"	290.212624	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H-2H2O"	-35.012676
"1393644"	308.2226	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H-H2O"	-17.0027
"295517"	651.457876	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+H"	1.007276
"685751"	976.683176	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+H"	1.007276
"1362101"	326.232576	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H"	1.007276
"136813"	326.232576	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+2H"	2.014552
"578560"	488.845226	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+2H"	2.014552
"1050641"	163.619926	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2H"	2.014552
"217815"	217.824142666667	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+3H"	3.021828
"657736"	326.232576	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+3H"	3.021828
"1174400"	109.415709333333	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+3H"	3.021828
"435485"	668.484423	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+NH4"	18.033823
"798670"	993.709723	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+NH4"	18.033823
"1689533"	343.259123	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+NH4"	18.033823
"337811"	334.7458495	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+H+NH4"	19.041099
"725493"	497.3584995	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+H+NH4"	19.041099
"1481867"	172.1331995	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H+NH4"	19.041099
"396171"	673.439818	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+Na"	22.989218
"767012"	998.665118	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+Na"	22.989218
"1618112"	348.214518	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Na"	22.989218
"328433"	337.223547	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+H+Na"	23.996494
"719765"	499.836197	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+H+Na"	23.996494
"1473585"	174.610897	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H+Na"	23.996494
"1062457"	116.743023333333	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2H+Na"	25.00377
"1265227"	358.258786	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+CH3OH+H"	33.033486
"385990"	689.413758	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+K"	38.963158
"749174"	1014.639058	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+K"	38.963158
"1550133"	364.188458	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+K"	38.963158
"313505"	345.210517	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+H+K"	39.970434
"706968"	507.823167	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+H+K"	39.970434
"1459017"	182.597867	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H+K"	39.970434
"249804"	692.484426	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+ACN+H"	42.033826
"1224699"	367.259126	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+ACN+H"	42.033826
"1208582"	184.133201	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+ACN+2H"	43.041102
"201454"	695.42176	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+2Na-H"	44.97116
"637736"	1020.64706	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+2Na-H"	44.97116
"1135774"	370.19646	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2Na-H"	44.97116
"179066"	348.214518	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+2Na"	45.978436
"616439"	510.827168	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+2Na"	45.978436
"1122132"	185.601868	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2Na"	45.978436
"1403470"	124.070337333333	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H+2Na"	46.985712
"1438865"	372.238046	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H+HCOOH"	47.012746
"224189"	353.24754	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+3H2O+2H"	56.04448
"1516628"	386.29009	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+IsoProp+H"	61.06479
"419596"	356.201488	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+Na+K"	61.952376
"779499"	518.814138	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+Na+K"	61.952376
"1678022"	193.588838	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Na+K"	61.952376
"261990"	714.466368	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+ACN+Na"	64.015768
"1231782"	389.241068	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+ACN+Na"	64.015768
"1719575"	389.264593	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+NH4+HCOOH"	64.039293
"1187118"	131.397651333333	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+3Na"	68.967654
"1654822"	394.219988	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Na+HCOOH"	68.994688
"162778"	727.36964	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+2K-H"	76.91904
"604527"	1052.59494	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+2K-H"	76.91904
"1086852"	402.14434	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2K-H"	76.91904
"145855"	364.188458	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"2M+2K"	77.926316
"584322"	526.801108	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"3M+2K"	77.926316
"1075396"	201.575808	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2K"	77.926316
"1106420"	404.158892	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2K+H"	78.933592
"1342805"	404.246507	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+DMSO+H"	79.021207
"1011331"	408.285676	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2ACN+H"	83.060376
"1526539"	409.279308	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+IsoProp+Na+H"	84.054008
"992257"	204.646476	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+2ACN+2H"	84.067652
"1591501"	410.193928	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+K+HCOOH"	84.968628
"1419349"	440.225438	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+H+CF3COOH"	115.000138
"1151824"	225.159751	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+3ACN+2H"	125.094202
"1699189"	457.251985	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+NH4+CF3COOH"	132.026685
"1639217"	462.20738	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+Na+CF3COOH"	136.98208
"1580335"	478.18132	"C11845"	"N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone"	"C18H31NO4"	"325.2253"	"M+K+CF3COOH"	152.95602
"810699"	168.0899	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M"	0
"984240"	149.07151	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-H2O-H"	-19.01839
"72482"	111.052657333333	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M-3H"	-3.021828
"509851"	167.082624	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M-3H"	-3.021828
"887653"	55.0226906666667	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-3H"	-3.021828
"4043"	167.082624	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M-2H"	-2.014552
"447978"	251.127574	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M-2H"	-2.014552
"822501"	83.037674	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-2H"	-2.014552
"86866"	335.172524	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M-H"	-1.007276
"524240"	503.262424	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M-H"	-1.007276
"902043"	167.082624	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-H"	-1.007276
"60790"	352.199071	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M-2H+NH4"	16.019271
"498166"	520.288971	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M-2H+NH4"	16.019271
"875971"	184.109171	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-2H+NH4"	16.019271
"46060"	357.154466	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M-2H+Na"	20.974666
"485623"	525.244366	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M-2H+Na"	20.974666
"863307"	189.064566	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-2H+Na"	20.974666
"1630777"	189.064566	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Na-2H"	20.974666
"107671"	185.070963	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M-H+Cl"	33.962126
"547231"	269.115913	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M-H+Cl"	33.962126
"941835"	101.026013	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-H+Cl"	33.962126
"282094"	371.149202	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+Cl"	34.969402
"674269"	539.239102	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+Cl"	34.969402
"1287765"	203.059302	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Cl"	34.969402
"20848"	373.128406	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M-2H+K"	36.948606
"462594"	541.218306	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M-2H+K"	36.948606
"840396"	205.038506	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-2H+K"	36.948606
"1566076"	205.038506	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+K-2H"	36.948606
"957241"	213.088094	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-H+HCOOH"	44.998194
"375829"	381.178001	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+HCOOH-H"	44.998201
"360683"	395.193651	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+Hac-H"	59.013851
"1506001"	227.103751	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Hac-H"	59.013851
"972087"	235.070051	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-H+NaCOOH"	66.980151
"124268"	203.059302	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+2Cl"	69.938804
"563831"	287.104252	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+2Cl"	69.938804
"1035182"	119.014352	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2Cl"	69.938804
"1255126"	247.008785	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Br"	78.918885
"1316111"	249.064772	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Cl+HCOOH"	80.974872
"1332515"	271.046729	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Cl+NaCOOH"	102.956829
"921386"	281.075486	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M-H+CF3COOH"	112.985586
"1298093"	317.052164	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Cl+CF3COOH"	148.962264
"1381724"	133.077224	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H-2H2O"	-35.012676
"1393757"	151.0872	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H-H2O"	-17.0027
"292350"	337.187076	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+H"	1.007276
"685865"	505.276976	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+H"	1.007276
"1358932"	169.097176	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H"	1.007276
"128903"	169.097176	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+2H"	2.014552
"574660"	253.142126	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+2H"	2.014552
"1041273"	85.052226	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2H"	2.014552
"211360"	113.067209333333	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+3H"	3.021828
"653107"	169.097176	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+3H"	3.021828
"1172329"	57.0372426666667	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+3H"	3.021828
"434506"	354.213623	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+NH4"	18.033823
"792221"	522.303523	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+NH4"	18.033823
"1692925"	186.123723	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+NH4"	18.033823
"337924"	177.6104495	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+H+NH4"	19.041099
"736908"	261.6553995	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+H+NH4"	19.041099
"1488541"	93.5654995	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H+NH4"	19.041099
"407587"	359.169018	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+Na"	22.989218
"769397"	527.258918	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+Na"	22.989218
"1618021"	191.079118	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Na"	22.989218
"327451"	180.088147	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+H+Na"	23.996494
"713310"	264.133097	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+H+Na"	23.996494
"1464944"	96.043197	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H+Na"	23.996494
"1061470"	64.3645566666667	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2H+Na"	25.00377
"1266433"	201.123386	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+CH3OH+H"	33.033486
"381728"	375.142958	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+K"	38.963158
"750377"	543.232858	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+K"	38.963158
"1550243"	207.053058	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+K"	38.963158
"309605"	188.075117	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+H+K"	39.970434
"706524"	272.120067	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+H+K"	39.970434
"1460099"	104.030167	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H+K"	39.970434
"247730"	378.213626	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+ACN+H"	42.033826
"1224692"	210.123726	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+ACN+H"	42.033826
"1209183"	105.565501	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+ACN+2H"	43.041102
"200474"	381.15096	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+2Na-H"	44.97116
"637848"	549.24086	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+2Na-H"	44.97116
"1145363"	213.06106	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2Na-H"	44.97116
"186468"	191.079118	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+2Na"	45.978436
"617645"	275.124068	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+2Na"	45.978436
"1124431"	107.034168	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2Na"	45.978436
"1401395"	71.6918706666667	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H+2Na"	46.985712
"1440073"	215.102646	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H+HCOOH"	47.012746
"231958"	196.11214	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+3H2O+2H"	56.04448
"1523304"	229.15469	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+IsoProp+H"	61.06479
"421536"	199.066088	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+Na+K"	61.952376
"784354"	283.111038	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+Na+K"	61.952376
"1678862"	115.021138	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Na+K"	61.952376
"263559"	400.195568	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+ACN+Na"	64.015768
"1227519"	232.105668	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+ACN+Na"	64.015768
"1721873"	232.129193	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+NH4+HCOOH"	64.039293
"1183948"	79.0191846666667	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+3Na"	68.967654
"1654934"	237.084588	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Na+HCOOH"	68.994688
"160704"	413.09884	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+2K-H"	76.91904
"598074"	581.18874	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+2K-H"	76.91904
"1087327"	245.00894	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2K-H"	76.91904
"145966"	207.053058	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"2M+2K"	77.926316
"584795"	291.098008	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"3M+2K"	77.926316
"1071494"	123.008108	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2K"	77.926316
"1106527"	247.023492	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2K+H"	78.933592
"1345098"	247.111107	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+DMSO+H"	79.021207
"1015818"	251.150276	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2ACN+H"	83.060376
"1532848"	252.143908	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+IsoProp+Na+H"	84.054008
"996010"	126.078776	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+2ACN+2H"	84.067652
"1589786"	253.058528	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+K+HCOOH"	84.968628
"1418361"	283.090038	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+H+CF3COOH"	115.000138
"1148654"	146.592051	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+3ACN+2H"	125.094202
"1699298"	300.116585	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+NH4+CF3COOH"	132.026685
"1640420"	305.07198	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+Na+CF3COOH"	136.98208
"1580445"	321.04592	"C11846"	"Cyclo(deltaAla-L-Val)"	"C8H12N2O2"	"168.0899"	"M+K+CF3COOH"	152.95602
"801380"	244.1212	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M"	0
"977780"	225.10281	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-H2O-H"	-19.01839
"73680"	161.740190666667	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M-3H"	-3.021828
"503643"	243.113924	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M-3H"	-3.021828
"883390"	80.3664573333333	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-3H"	-3.021828
"1115"	243.113924	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M-2H"	-2.014552
"440187"	365.174524	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M-2H"	-2.014552
"817202"	121.053324	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-2H"	-2.014552
"81509"	487.235124	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M-H"	-1.007276
"519003"	731.356324	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M-H"	-1.007276
"896686"	243.113924	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-H"	-1.007276
"51060"	504.261671	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M-2H+NH4"	16.019271
"490986"	748.382871	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M-2H+NH4"	16.019271
"871706"	260.140471	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-2H+NH4"	16.019271
"40703"	509.217066	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M-2H+Na"	20.974666
"486342"	753.338266	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M-2H+Na"	20.974666
"862445"	265.095866	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-2H+Na"	20.974666
"1630888"	265.095866	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Na-2H"	20.974666
"107050"	261.102263	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M-H+Cl"	33.962126
"548431"	383.162863	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M-H+Cl"	33.962126
"940487"	139.041663	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-H+Cl"	33.962126
"280136"	523.211802	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+Cl"	34.969402
"674744"	767.333002	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+Cl"	34.969402
"1282772"	279.090602	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Cl"	34.969402
"25331"	525.191006	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M-2H+K"	36.948606
"462704"	769.312206	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M-2H+K"	36.948606
"837226"	281.069806	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-2H+K"	36.948606
"1565092"	281.069806	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+K-2H"	36.948606
"954799"	289.119394	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-H+HCOOH"	44.998194
"376944"	533.240601	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+HCOOH-H"	44.998201
"361331"	547.256251	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+Hac-H"	59.013851
"1506113"	303.135051	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Hac-H"	59.013851
"971103"	311.101351	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-H+NaCOOH"	66.980151
"124743"	279.090602	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+2Cl"	69.938804
"564303"	401.151202	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+2Cl"	69.938804
"1036023"	157.030002	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2Cl"	69.938804
"1255961"	323.040085	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Br"	78.918885
"1316221"	325.096072	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Cl+HCOOH"	80.974872
"1332625"	347.078029	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Cl+NaCOOH"	102.956829
"924048"	357.106786	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M-H+CF3COOH"	112.985586
"1299296"	393.083464	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Cl+CF3COOH"	148.962264
"1381837"	209.108524	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H-2H2O"	-35.012676
"1391680"	227.1185	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H-H2O"	-17.0027
"290273"	489.249676	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+H"	1.007276
"679414"	733.370876	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+H"	1.007276
"1353575"	245.128476	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H"	1.007276
"133022"	245.128476	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+2H"	2.014552
"575863"	367.189076	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+2H"	2.014552
"1042477"	123.067876	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2H"	2.014552
"211472"	163.754742666667	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+3H"	3.021828
"648844"	245.128476	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+3H"	3.021828
"1170251"	82.3810093333333	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+3H"	3.021828
"432428"	506.276223	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+NH4"	18.033823
"789051"	750.397423	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+NH4"	18.033823
"1683191"	262.155023	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+NH4"	18.033823
"330125"	253.6417495	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+H+NH4"	19.041099
"728269"	375.7023495	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+H+NH4"	19.041099
"1483183"	131.5811495	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H+NH4"	19.041099
"401863"	511.231618	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+Na"	22.989218
"768328"	755.352818	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+Na"	22.989218
"1614239"	267.110418	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Na"	22.989218
"326468"	256.119447	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+H+Na"	23.996494
"714513"	378.180047	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+H+Na"	23.996494
"1465054"	134.058847	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H+Na"	23.996494
"1063769"	89.7083233333333	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2H+Na"	25.00377
"1268730"	277.154686	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+CH3OH+H"	33.033486
"386211"	527.205558	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+K"	38.963158
"748300"	771.326758	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+K"	38.963158
"1549259"	283.084358	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+K"	38.963158
"309715"	264.106417	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+H+K"	39.970434
"701043"	386.167017	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+H+K"	39.970434
"1457048"	142.045817	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H+K"	39.970434
"248934"	530.276226	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+ACN+H"	42.033826
"1223466"	286.155026	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+ACN+H"	42.033826
"1207715"	143.581151	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+ACN+2H"	43.041102
"199491"	533.21356	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+2Na-H"	44.97116
"636865"	777.33476	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+2Na-H"	44.97116
"1142557"	289.09236	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2Na-H"	44.97116
"174914"	267.110418	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+2Na"	45.978436
"614717"	389.171018	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+2Na"	45.978436
"1121261"	145.049818	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2Na"	45.978436
"1404785"	97.0356373333333	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H+2Na"	46.985712
"1440183"	291.133946	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H+HCOOH"	47.012746
"234254"	272.14344	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+3H2O+2H"	56.04448
"1522323"	305.18599	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+IsoProp+H"	61.06479
"421646"	275.097388	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+Na+K"	61.952376
"783736"	397.157988	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+Na+K"	61.952376
"1678973"	153.036788	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Na+K"	61.952376
"262576"	552.258168	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+ACN+Na"	64.015768
"1233097"	308.136968	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+ACN+Na"	64.015768
"1721983"	308.160493	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+NH4+HCOOH"	64.039293
"1187339"	104.362951333333	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+3Na"	68.967654
"1657231"	313.115888	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Na+HCOOH"	68.994688
"163002"	565.16144	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+2K-H"	76.91904
"600373"	809.28264	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+2K-H"	76.91904
"1088166"	321.04024	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2K-H"	76.91904
"147168"	283.084358	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"2M+2K"	77.926316
"583812"	405.144958	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"3M+2K"	77.926316
"1073428"	161.023758	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2K"	77.926316
"1105544"	323.054792	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2K+H"	78.933592
"1343021"	323.142407	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+DMSO+H"	79.021207
"1015928"	327.181576	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2ACN+H"	83.060376
"1529678"	328.175208	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+IsoProp+Na+H"	84.054008
"992841"	164.094426	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+2ACN+2H"	84.067652
"1589894"	329.089828	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+K+HCOOH"	84.968628
"1417378"	359.121338	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+H+CF3COOH"	115.000138
"1147220"	184.607701	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+3ACN+2H"	125.094202
"1697098"	376.147885	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+NH4+CF3COOH"	132.026685
"1640530"	381.10328	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+Na+CF3COOH"	136.98208
"1580555"	397.07722	"C11847"	"Cyclo(L-Phe-L-Pro);(3S-trans)-3-Benzylhexahydropyrrolo(12-a)pyrazine-14-dione"	"C14H16N2O2"	"244.1212"	"M+K+CF3COOH"	152.95602
"802170"	259.1572	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M"	0
"977890"	240.13881	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-H2O-H"	-19.01839
"72697"	171.764190666667	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M-3H"	-3.021828
"504967"	258.149924	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M-3H"	-3.021828
"881313"	85.3784573333333	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-3H"	-3.021828
"1347"	258.149924	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M-2H"	-2.014552
"440178"	387.728524	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M-2H"	-2.014552
"818220"	128.571324	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-2H"	-2.014552
"80526"	517.307124	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M-H"	-1.007276
"521180"	776.464324	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M-H"	-1.007276
"896796"	258.149924	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-H"	-1.007276
"51170"	534.333671	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M-2H+NH4"	16.019271
"490003"	793.490871	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M-2H+NH4"	16.019271
"871816"	275.176471	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-2H+NH4"	16.019271
"40813"	539.289066	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M-2H+Na"	20.974666
"485480"	798.446266	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M-2H+Na"	20.974666
"862193"	280.131866	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-2H+Na"	20.974666
"1632092"	280.131866	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Na-2H"	20.974666
"106797"	276.138263	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M-H+Cl"	33.962126
"547084"	405.716863	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M-H+Cl"	33.962126
"939505"	146.559663	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-H+Cl"	33.962126
"280857"	553.283802	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+Cl"	34.969402
"673763"	812.441002	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+Cl"	34.969402
"1283975"	294.126602	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Cl"	34.969402
"19973"	555.263006	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M-2H+K"	36.948606
"462814"	814.420206	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M-2H+K"	36.948606
"841709"	296.105806	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-2H+K"	36.948606
"1558637"	296.105806	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+K-2H"	36.948606
"945426"	304.155394	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-H+HCOOH"	44.998194
"369114"	563.312601	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+HCOOH-H"	44.998201
"359808"	577.328251	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+Hac-H"	59.013851
"1506585"	318.171051	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Hac-H"	59.013851
"972667"	326.137351	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-H+NaCOOH"	66.980151
"124121"	294.126602	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+2Cl"	69.938804
"564777"	423.705202	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+2Cl"	69.938804
"1035767"	164.548002	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2Cl"	69.938804
"1255345"	338.076085	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Br"	78.918885
"1318518"	340.132072	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Cl+HCOOH"	80.974872
"1329454"	362.114029	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Cl+NaCOOH"	102.956829
"921606"	372.142786	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M-H+CF3COOH"	112.985586
"1300136"	408.119464	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Cl+CF3COOH"	148.962264
"1378296"	224.144524	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H-2H2O"	-35.012676
"1391789"	242.1545	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H-H2O"	-17.0027
"290383"	519.321676	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+H"	1.007276
"678429"	778.478876	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+H"	1.007276
"1352956"	260.164476	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H"	1.007276
"129851"	260.164476	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+2H"	2.014552
"570506"	389.743076	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+2H"	2.014552
"1039306"	130.585876	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2H"	2.014552
"206477"	173.778742666667	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+3H"	3.021828
"647861"	260.164476	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+3H"	3.021828
"1164162"	87.3930093333333	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+3H"	3.021828
"428163"	536.348223	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+NH4"	18.033823
"788068"	795.505423	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+NH4"	18.033823
"1681963"	277.191023	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+NH4"	18.033823
"330361"	268.6777495	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+H+NH4"	19.041099
"723397"	398.2563495	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+H+NH4"	19.041099
"1483293"	139.0991495	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H+NH4"	19.041099
"403066"	541.303618	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+Na"	22.989218
"769289"	800.460818	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+Na"	22.989218
"1614349"	282.146418	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Na"	22.989218
"327671"	271.155447	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+H+Na"	23.996494
"713894"	400.734047	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+H+Na"	23.996494
"1465892"	141.576847	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H+Na"	23.996494
"1060600"	94.7203233333333	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2H+Na"	25.00377
"1268840"	292.190686	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+CH3OH+H"	33.033486
"384134"	557.277558	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+K"	38.963158
"746223"	816.434758	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+K"	38.963158
"1550462"	298.120358	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+K"	38.963158
"309825"	279.142417	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+H+K"	39.970434
"701153"	408.721017	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+H+K"	39.970434
"1457158"	149.563817	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H+K"	39.970434
"247950"	560.348226	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+ACN+H"	42.033826
"1220661"	301.191026	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+ACN+H"	42.033826
"1207094"	151.099151	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+ACN+2H"	43.041102
"198507"	563.28556	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+2Na-H"	44.97116
"634787"	822.44276	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+2Na-H"	44.97116
"1141573"	304.12836	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2Na-H"	44.97116
"180489"	282.146418	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+2Na"	45.978436
"618956"	411.725018	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+2Na"	45.978436
"1122462"	152.567818	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2Na"	45.978436
"1398600"	102.047637333333	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H+2Na"	46.985712
"1433001"	306.169946	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H+HCOOH"	47.012746
"224520"	287.17944	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+3H2O+2H"	56.04448
"1522429"	320.22199	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+IsoProp+H"	61.06479
"421754"	290.133388	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+Na+K"	61.952376
"784575"	419.711988	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+Na+K"	61.952376
"1679084"	160.554788	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Na+K"	61.952376
"264144"	582.330168	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+ACN+Na"	64.015768
"1235394"	323.172968	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+ACN+Na"	64.015768
"1723186"	323.196493	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+NH4+HCOOH"	64.039293
"1186354"	109.374951333333	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+3Na"	68.967654
"1652965"	328.151888	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Na+HCOOH"	68.994688
"163109"	595.23344	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+2K-H"	76.91904
"600847"	854.39064	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+2K-H"	76.91904
"1089369"	336.07624	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2K-H"	76.91904
"147278"	298.120358	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"2M+2K"	77.926316
"582950"	427.698958	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"3M+2K"	77.926316
"1071350"	168.541758	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2K"	77.926316
"1108933"	338.090792	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2K+H"	78.933592
"1343131"	338.178407	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+DMSO+H"	79.021207
"1018102"	342.217576	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2ACN+H"	83.060376
"1530881"	343.211208	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+IsoProp+Na+H"	84.054008
"992222"	171.612426	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+2ACN+2H"	84.067652
"1590004"	344.125828	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+K+HCOOH"	84.968628
"1416395"	374.157338	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+H+CF3COOH"	115.000138
"1147098"	192.125701	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+3ACN+2H"	125.094202
"1697031"	391.183885	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+NH4+CF3COOH"	132.026685
"1640640"	396.13928	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+Na+CF3COOH"	136.98208
"1580665"	412.11322	"C11848"	"2-Heptyl-3-hydroxy-quinolone;2-Heptyl-3-hydroxy-4(1H)-quinolone;2-Heptyl-3-hydroxy-4-quinolone"	"C16H21NO2"	"259.1572"	"M+K+CF3COOH"	152.95602
"803009"	286.2508	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M"	0
"978000"	267.23241	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-H2O-H"	-19.01839
"72807"	189.826590666667	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M-3H"	-3.021828
"504713"	285.243524	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M-3H"	-3.021828
"881423"	94.4096573333333	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-3H"	-3.021828
"606"	285.243524	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M-2H"	-2.014552
"440771"	428.368924	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M-2H"	-2.014552
"817844"	142.118124	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-2H"	-2.014552
"79906"	571.494324	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M-H"	-1.007276
"522383"	857.745124	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M-H"	-1.007276
"897027"	285.243524	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-H"	-1.007276
"48969"	588.520871	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M-2H+NH4"	16.019271
"489749"	874.771671	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M-2H+NH4"	16.019271
"871925"	302.270071	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-2H+NH4"	16.019271
"36548"	593.476266	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M-2H+Na"	20.974666
"480483"	879.727066	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M-2H+Na"	20.974666
"862662"	307.225466	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-2H+Na"	20.974666
"1631835"	307.225466	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Na-2H"	20.974666
"106907"	303.231863	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M-H+Cl"	33.962126
"545004"	446.357263	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M-H+Cl"	33.962126
"939979"	160.106463	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-H+Cl"	33.962126
"278168"	607.471002	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+Cl"	34.969402
"670588"	893.721802	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+Cl"	34.969402
"1281898"	321.220202	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Cl"	34.969402
"20083"	609.450206	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M-2H+K"	36.948606
"459644"	895.701006	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M-2H+K"	36.948606
"838539"	323.199406	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-2H+K"	36.948606
"1559839"	323.199406	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+K-2H"	36.948606
"945536"	331.248994	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-H+HCOOH"	44.998194
"370313"	617.499801	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+HCOOH-H"	44.998201
"359310"	631.515451	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+Hac-H"	59.013851
"1506696"	345.264651	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Hac-H"	59.013851
"973019"	353.230951	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-H+NaCOOH"	66.980151
"124597"	321.220202	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+2Cl"	69.938804
"564516"	464.345602	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+2Cl"	69.938804
"1036606"	178.094802	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2Cl"	69.938804
"1256548"	365.169685	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Br"	78.918885
"1318631"	367.225672	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Cl+HCOOH"	80.974872
"1329564"	389.207629	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Cl+NaCOOH"	102.956829
"926091"	399.236386	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M-H+CF3COOH"	112.985586
"1300246"	435.213064	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Cl+CF3COOH"	148.962264
"1375490"	251.238124	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H-2H2O"	-35.012676
"1394086"	269.2481	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H-H2O"	-17.0027
"292681"	573.508876	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+H"	1.007276
"680726"	859.759676	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+H"	1.007276
"1353795"	287.258076	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H"	1.007276
"129961"	287.258076	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+2H"	2.014552
"572803"	430.383476	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+2H"	2.014552
"1039416"	144.132676	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2H"	2.014552
"206223"	191.841142666667	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+3H"	3.021828
"651251"	287.258076	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+3H"	3.021828
"1169374"	96.4242093333334	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+3H"	3.021828
"428273"	590.535423	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+NH4"	18.033823
"788176"	876.786223	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+NH4"	18.033823
"1684506"	304.284623	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+NH4"	18.033823
"331691"	295.7713495	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+H+NH4"	19.041099
"725209"	438.8967495	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+H+NH4"	19.041099
"1483403"	152.6459495	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H+NH4"	19.041099
"397708"	595.490818	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+Na"	22.989218
"769447"	881.741618	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+Na"	22.989218
"1617133"	309.240018	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Na"	22.989218
"325595"	298.249047	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+H+Na"	23.996494
"713642"	441.374447	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+H+Na"	23.996494
"1467461"	155.123647	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H+Na"	23.996494
"1061802"	103.751523333333	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2H+Na"	25.00377
"1268950"	319.284286	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+CH3OH+H"	33.033486
"387525"	611.464758	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+K"	38.963158
"748520"	897.715558	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+K"	38.963158
"1551665"	325.213958	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+K"	38.963158
"312122"	306.236017	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+H+K"	39.970434
"705637"	449.361417	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+H+K"	39.970434
"1459821"	163.110617	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H+K"	39.970434
"248060"	614.535426	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+ACN+H"	42.033826
"1222230"	328.284626	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+ACN+H"	42.033826
"1207571"	164.645951	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+ACN+2H"	43.041102
"201533"	617.47276	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+2Na-H"	44.97116
"638177"	903.72356	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+2Na-H"	44.97116
"1140591"	331.22196	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2Na-H"	44.97116
"180599"	309.240018	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+2Na"	45.978436
"619066"	452.365418	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+2Na"	45.978436
"1125852"	166.114618	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2Na"	45.978436
"1400628"	111.078837333333	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H+2Na"	46.985712
"1434934"	333.263546	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H+HCOOH"	47.012746
"230097"	314.27304	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+3H2O+2H"	56.04448
"1522175"	347.31559	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+IsoProp+H"	61.06479
"422963"	317.226988	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+Na+K"	61.952376
"784685"	460.352388	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+Na+K"	61.952376
"1679195"	174.101588	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Na+K"	61.952376
"265347"	636.517368	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+ACN+Na"	64.015768
"1236598"	350.266568	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+ACN+Na"	64.015768
"1723297"	350.290093	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+NH4+HCOOH"	64.039293
"1186465"	118.406151333333	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+3Na"	68.967654
"1657450"	355.245488	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Na+HCOOH"	68.994688
"163220"	649.42064	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+2K-H"	76.91904
"599500"	935.67144	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+2K-H"	76.91904
"1088386"	363.16984	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2K-H"	76.91904
"146295"	325.213958	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"2M+2K"	77.926316
"583668"	468.339358	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"3M+2K"	77.926316
"1072554"	182.088558	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2K"	77.926316
"1106856"	365.184392	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2K+H"	78.933592
"1345428"	365.272007	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+DMSO+H"	79.021207
"1015053"	369.311176	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2ACN+H"	83.060376
"1528805"	370.304808	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+IsoProp+Na+H"	84.054008
"993061"	185.159226	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+2ACN+2H"	84.067652
"1589750"	371.219428	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+K+HCOOH"	84.968628
"1416503"	401.250938	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+H+CF3COOH"	115.000138
"1147646"	205.672501	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+3ACN+2H"	125.094202
"1697017"	418.277485	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+NH4+CF3COOH"	132.026685
"1640750"	423.23288	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+Na+CF3COOH"	136.98208
"1580775"	439.20682	"C11849"	"3-Hydroxy-palmitic acid methyl ester"	"C17H34O3"	"286.2508"	"M+K+CF3COOH"	152.95602
"810046"	890.5197	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M"	0
"981391"	871.50131	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-H2O-H"	-19.01839
"74010"	592.672524	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M-3H"	-3.021828
"504827"	889.512424	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M-3H"	-3.021828
"880682"	295.832624	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-3H"	-3.021828
"1323"	889.512424	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M-2H"	-2.014552
"441370"	1334.772274	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M-2H"	-2.014552
"818564"	444.252574	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-2H"	-2.014552
"79409"	1780.032124	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M-H"	-1.007276
"521764"	2670.551824	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M-H"	-1.007276
"898836"	889.512424	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-H"	-1.007276
"51386"	1797.058671	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M-2H+NH4"	16.019271
"489859"	2687.578371	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M-2H+NH4"	16.019271
"872035"	906.538971	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-2H+NH4"	16.019271
"44313"	1802.014066	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M-2H+Na"	20.974666
"479500"	2692.533766	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M-2H+Na"	20.974666
"860584"	911.494366	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-2H+Na"	20.974666
"1631582"	911.494366	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Na-2H"	20.974666
"107017"	907.500763	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M-H+Cl"	33.962126
"545114"	1352.760613	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M-H+Cl"	33.962126
"938628"	462.240913	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-H+Cl"	33.962126
"279375"	1816.008802	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+Cl"	34.969402
"672885"	2706.528502	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+Cl"	34.969402
"1283102"	925.489102	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Cl"	34.969402
"25661"	1817.988006	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M-2H+K"	36.948606
"460848"	2708.507706	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M-2H+K"	36.948606
"836462"	927.468306	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-2H+K"	36.948606
"1563231"	927.468306	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+K-2H"	36.948606
"953300"	935.517894	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-H+HCOOH"	44.998194
"371517"	1826.037601	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+HCOOH-H"	44.998201
"358690"	1840.053251	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+Hac-H"	59.013851
"1504974"	949.533551	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Hac-H"	59.013851
"967409"	957.499851	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-H+NaCOOH"	66.980151
"121421"	925.489102	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+2Cl"	69.938804
"562805"	1370.748952	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+2Cl"	69.938804
"1036105"	480.229252	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2Cl"	69.938804
"1255193"	969.438585	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Br"	78.918885
"1318494"	971.494572	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Cl+HCOOH"	80.974872
"1332949"	993.476529	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Cl+NaCOOH"	102.956829
"926568"	1003.505286	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M-H+CF3COOH"	112.985586
"1300720"	1039.481964	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Cl+CF3COOH"	148.962264
"1379974"	855.507024	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H-2H2O"	-35.012676
"1389817"	873.517	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H-H2O"	-17.0027
"296066"	1782.046676	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+H"	1.007276
"684115"	2672.566376	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+H"	1.007276
"1356091"	891.526976	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H"	1.007276
"132260"	891.526976	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+2H"	2.014552
"567811"	1336.786826	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+2H"	2.014552
"1040619"	446.267126	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2H"	2.014552
"208521"	594.687076	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+3H"	3.021828
"651361"	891.526976	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+3H"	3.021828
"1170578"	297.847176	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+3H"	3.021828
"432757"	1799.073223	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+NH4"	18.033823
"793753"	2689.592923	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+NH4"	18.033823
"1685707"	908.553523	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+NH4"	18.033823
"335081"	900.0402495	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+H+NH4"	19.041099
"729691"	1345.3000995	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+H+NH4"	19.041099
"1483513"	454.7803995	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H+NH4"	19.041099
"397818"	1804.028618	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+Na"	22.989218
"769524"	2694.548318	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+Na"	22.989218
"1618143"	913.508918	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Na"	22.989218
"326797"	902.517947	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+H+Na"	23.996494
"713752"	1347.777797	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+H+Na"	23.996494
"1468664"	457.258097	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H+Na"	23.996494
"1061912"	305.17449	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2H+Na"	25.00377
"1270153"	923.553186	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+CH3OH+H"	33.033486
"388728"	1820.002558	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+K"	38.963158
"753127"	2710.522258	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+K"	38.963158
"1555020"	929.482858	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+K"	38.963158
"312233"	910.504917	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+H+K"	39.970434
"704654"	1355.764767	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+H+K"	39.970434
"1460866"	465.245067	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H+K"	39.970434
"249262"	1823.073226	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+ACN+H"	42.033826
"1223429"	932.553526	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+ACN+H"	42.033826
"1208040"	466.780401	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+ACN+2H"	43.041102
"202005"	1826.01056	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+2Na-H"	44.97116
"641565"	2716.53026	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+2Na-H"	44.97116
"1138511"	935.49086	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2Na-H"	44.97116
"174511"	913.508918	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+2Na"	45.978436
"622456"	1358.768768	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+2Na"	45.978436
"1118307"	468.249068	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2Na"	45.978436
"1405113"	312.501804	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H+2Na"	46.985712
"1431763"	937.532446	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H+HCOOH"	47.012746
"231666"	918.54194	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+3H2O+2H"	56.04448
"1521191"	951.58449	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+IsoProp+H"	61.06479
"423312"	921.495888	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+Na+K"	61.952376
"784915"	1366.755738	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+Na+K"	61.952376
"1680396"	476.236038	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Na+K"	61.952376
"266064"	1845.055168	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+ACN+Na"	64.015768
"1237802"	954.535468	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+ACN+Na"	64.015768
"1723407"	954.558993	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+NH4+HCOOH"	64.039293
"1187670"	319.829118	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+3Na"	68.967654
"1657560"	959.514388	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Na+HCOOH"	68.994688
"162601"	1857.95844	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+2K-H"	76.91904
"600704"	2748.47814	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+2K-H"	76.91904
"1088496"	967.43874	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2K-H"	76.91904
"145312"	929.482858	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"2M+2K"	77.926316
"584144"	1374.742708	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"3M+2K"	77.926316
"1072665"	484.223008	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2K"	77.926316
"1104782"	969.453292	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2K+H"	78.933592
"1342259"	969.540907	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+DMSO+H"	79.021207
"1015163"	973.580076	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2ACN+H"	83.060376
"1526729"	974.573708	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+IsoProp+Na+H"	84.054008
"994264"	487.293676	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+2ACN+2H"	84.067652
"1590953"	975.488328	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+K+HCOOH"	84.968628
"1415523"	1005.519838	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+H+CF3COOH"	115.000138
"1147999"	507.806951	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+3ACN+2H"	125.094202
"1697427"	1022.546385	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+NH4+CF3COOH"	132.026685
"1637580"	1027.50178	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+Na+CF3COOH"	136.98208
"1573230"	1043.47572	"C11850"	"Divinylchlorophyll a"	"C55H70MgN4O5"	"890.5197"	"M+K+CF3COOH"	152.95602
"801540"	950.49	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M"	0
"978221"	931.47161	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-H2O-H"	-19.01839
"73027"	632.652724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M-3H"	-3.021828
"503844"	949.482724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M-3H"	-3.021828
"880550"	315.822724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-3H"	-3.021828
"3497"	949.482724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M-2H"	-2.014552
"440873"	1424.727724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M-2H"	-2.014552
"817579"	474.237724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-2H"	-2.014552
"79072"	1899.972724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M-H"	-1.007276
"521510"	2850.462724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M-H"	-1.007276
"897850"	949.482724	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-H"	-1.007276
"50404"	1916.999271	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M-2H+NH4"	16.019271
"489969"	2867.489271	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M-2H+NH4"	16.019271
"869959"	966.509271	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-2H+NH4"	16.019271
"42237"	1921.954666	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M-2H+Na"	20.974666
"479610"	2872.444666	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M-2H+Na"	20.974666
"860695"	971.464666	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-2H+Na"	20.974666
"1633146"	971.464666	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Na-2H"	20.974666
"106759"	967.471063	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M-H+Cl"	33.962126
"544131"	1442.716063	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M-H+Cl"	33.962126
"938738"	492.226063	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-H+Cl"	33.962126
"280942"	1935.949402	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+Cl"	34.969402
"671539"	2886.439402	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+Cl"	34.969402
"1282119"	985.459402	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Cl"	34.969402
"25771"	1937.928606	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M-2H+K"	36.948606
"460958"	2888.418606	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M-2H+K"	36.948606
"836572"	987.438606	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-2H+K"	36.948606
"1563341"	987.438606	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+K-2H"	36.948606
"950130"	995.488194	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-H+HCOOH"	44.998194
"372720"	1945.978201	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+HCOOH-H"	44.998201
"357340"	1959.993851	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+Hac-H"	59.013851
"1501068"	1009.503851	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Hac-H"	59.013851
"964600"	1017.470151	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-H+NaCOOH"	66.980151
"117155"	985.459402	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+2Cl"	69.938804
"561090"	1460.704402	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+2Cl"	69.938804
"1033537"	510.214402	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2Cl"	69.938804
"1255302"	1029.408885	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Br"	78.918885
"1314468"	1031.464872	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Cl+HCOOH"	80.974872
"1328684"	1053.446829	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Cl+NaCOOH"	102.956829
"918650"	1063.475586	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M-H+CF3COOH"	112.985586
"1301195"	1099.452264	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Cl+CF3COOH"	148.962264
"1370244"	915.477324	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H-2H2O"	-35.012676
"1389927"	933.4873	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H-H2O"	-17.0027
"295082"	1901.987276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+H"	1.007276
"684226"	2852.477276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+H"	1.007276
"1358386"	951.497276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H"	1.007276
"131276"	951.497276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+2H"	2.014552
"567921"	1426.742276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+2H"	2.014552
"1038055"	476.252276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2H"	2.014552
"208630"	634.667276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+3H"	3.021828
"646368"	951.497276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+3H"	3.021828
"1167408"	317.837276	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+3H"	3.021828
"429585"	1919.013823	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+NH4"	18.033823
"791675"	2869.503823	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+NH4"	18.033823
"1681686"	968.523823	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+NH4"	18.033823
"334098"	960.0105495	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+H+NH4"	19.041099
"725428"	1435.2555495	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+H+NH4"	19.041099
"1483623"	484.7655495	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H+NH4"	19.041099
"396835"	1923.969218	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+Na"	22.989218
"769901"	2874.459218	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+Na"	22.989218
"1618418"	973.479218	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Na"	22.989218
"324721"	962.488247	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+H+Na"	23.996494
"711674"	1437.733247	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+H+Na"	23.996494
"1467681"	487.243247	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H+Na"	23.996494
"1057648"	325.16459	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2H+Na"	25.00377
"1264795"	983.523486	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+CH3OH+H"	33.033486
"386651"	1939.943158	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+K"	38.963158
"750927"	2890.433158	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+K"	38.963158
"1551886"	989.453158	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+K"	38.963158
"312343"	970.475217	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+H+K"	39.970434
"703671"	1445.720217	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+H+K"	39.970434
"1460406"	495.230217	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H+K"	39.970434
"244998"	1943.013826	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+ACN+H"	42.033826
"1222081"	992.523826	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+ACN+H"	42.033826
"1204870"	496.765551	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+ACN+2H"	43.041102
"197741"	1945.95116	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+2Na-H"	44.97116
"638395"	2896.44116	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+2Na-H"	44.97116
"1138621"	995.46116	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2Na-H"	44.97116
"174621"	973.479218	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+2Na"	45.978436
"618192"	1448.724218	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+2Na"	45.978436
"1116715"	498.234218	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2Na"	45.978436
"1402306"	332.491904	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H+2Na"	46.985712
"1434424"	997.502746	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H+HCOOH"	47.012746
"232140"	978.51224	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+3H2O+2H"	56.04448
"1521666"	1011.55479	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+IsoProp+H"	61.06479
"423502"	981.466188	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+Na+K"	61.952376
"785106"	1456.711188	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+Na+K"	61.952376
"1679656"	506.221188	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Na+K"	61.952376
"266783"	1964.995768	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+ACN+Na"	64.015768
"1239856"	1014.505768	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+ACN+Na"	64.015768
"1723516"	1014.529293	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+NH4+HCOOH"	64.039293
"1185591"	339.819218	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+3Na"	68.967654
"1655483"	1019.484688	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Na+HCOOH"	68.994688
"159429"	1977.89904	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+2K-H"	76.91904
"601906"	2928.38904	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+2K-H"	76.91904
"1090793"	1027.40904	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2K-H"	76.91904
"145421"	989.453158	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"2M+2K"	77.926316
"586076"	1464.698158	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"3M+2K"	77.926316
"1074962"	514.208158	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2K"	77.926316
"1104892"	1029.423592	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2K+H"	78.933592
"1342369"	1029.511207	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+DMSO+H"	79.021207
"1011994"	1033.550376	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2ACN+H"	83.060376
"1526839"	1034.544008	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+IsoProp+Na+H"	84.054008
"994374"	517.278826	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+2ACN+2H"	84.067652
"1591063"	1035.458628	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+K+HCOOH"	84.968628
"1416361"	1065.490138	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+H+CF3COOH"	115.000138
"1147744"	537.792101	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+3ACN+2H"	125.094202
"1697253"	1082.516685	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+NH4+CF3COOH"	132.026685
"1637690"	1087.47208	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+Na+CF3COOH"	136.98208
"1573340"	1103.44602	"C11851"	"Zn-Bacteriochlorophyll a;Zinc bacteriochlorophyll a"	"C55H74N4O6Zn"	"950.49"	"M+K+CF3COOH"	152.95602
"802246"	332.1988	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M"	0
"978331"	313.18041	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"75324"	220.458590666667	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"503954"	331.191524	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"881753"	109.725657333333	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"4702"	331.191524	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"441348"	497.290924	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"817571"	165.092124	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"80967"	663.390324	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"524900"	995.589124	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"896990"	331.191524	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"54889"	680.416871	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"488986"	1012.615671	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"864843"	348.218071	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"32624"	685.372266	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"474252"	1017.571066	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"860441"	353.173466	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1632892"	353.173466	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"109748"	349.179863	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"545334"	515.279263	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"941766"	183.080463	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"279592"	699.367002	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"672014"	1031.565802	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1285509"	367.168202	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"21505"	701.346206	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"461068"	1033.545006	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"836682"	369.147406	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1565638"	369.147406	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"952427"	377.196994	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"371737"	709.395801	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"355628"	723.411451	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1497899"	391.212651	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"965437"	399.178951	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"116536"	367.168202	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"560471"	533.267602	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1033647"	201.068802	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1254319"	411.117685	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1310205"	413.173672	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1329887"	435.155629	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"923863"	445.184386	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1300941"	481.161064	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1373633"	297.186124	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1392225"	315.1961	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"290820"	665.404876	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"679961"	997.603676	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1355218"	333.206076	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"127014"	333.206076	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"565702"	499.305476	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1037178"	167.106676	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"204348"	222.473142666667	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"644650"	333.206076	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1163384"	111.740209333333	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"424832"	682.431423	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"790692"	1014.630223	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1681294"	350.232623	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"331293"	341.7193495	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"725538"	507.8187495	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1483733"	175.6199495	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"396945"	687.386818	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"761222"	1019.585618	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1618400"	355.188018	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"325926"	344.197047	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"713973"	510.296447	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1467793"	178.097647	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1056300"	119.067523333333	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1268185"	365.232286	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"386761"	703.360758	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"752130"	1035.559558	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1554183"	371.161958	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"312089"	352.184017	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"705603"	518.283417	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1458693"	186.084617	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"245107"	706.431426	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1220004"	374.232626	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1203887"	187.619951	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"195665"	709.36876	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"637412"	1041.56756	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1135450"	377.16996	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"174852"	355.188018	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"618302"	521.287418	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1116703"	189.088618	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1402052"	126.394837333333	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1434534"	379.211546	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"230428"	360.22104	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1522505"	393.26359	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"422561"	363.174988	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"783556"	529.274388	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1678431"	197.075588	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"266042"	728.413368	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1238022"	396.214568	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1722533"	396.238093	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1188982"	133.722151333333	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1654500"	401.193488	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"161362"	741.31664	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"602017"	1073.51544	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1091996"	409.11784	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"149907"	371.161958	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"589467"	537.261358	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1078354"	205.062558	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1107189"	411.132392	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1343573"	411.220007	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1013198"	415.259176	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1528042"	416.252808	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"991205"	208.133226	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1589715"	417.167428	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1416107"	447.198938	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1147732"	228.646501	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1697772"	464.225485	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1638893"	469.18088	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1575637"	485.15482	"C11853"	"Gibberellin A14 aldehyde"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"801869"	330.1467	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M"	0
"978441"	311.12831	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-H2O-H"	-19.01839
"75434"	219.090524	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M-3H"	-3.021828
"508438"	329.139424	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M-3H"	-3.021828
"882957"	109.041624	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-3H"	-3.021828
"4811"	329.139424	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M-2H"	-2.014552
"440607"	494.212774	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M-2H"	-2.014552
"817271"	164.066074	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-2H"	-2.014552
"85450"	659.286124	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M-H"	-1.007276
"531570"	989.432824	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M-H"	-1.007276
"900624"	329.139424	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-H"	-1.007276
"52812"	676.312671	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M-2H+NH4"	16.019271
"487225"	1006.459371	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M-2H+NH4"	16.019271
"864462"	346.165971	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-2H+NH4"	16.019271
"31923"	681.268066	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M-2H+Na"	20.974666
"475455"	1011.414766	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M-2H+Na"	20.974666
"860551"	351.121366	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-2H+Na"	20.974666
"1629355"	351.121366	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Na-2H"	20.974666
"108075"	347.127763	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M-H+Cl"	33.962126
"544351"	512.201113	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M-H+Cl"	33.962126
"937865"	182.054413	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-H+Cl"	33.962126
"276787"	695.262802	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+Cl"	34.969402
"671032"	1025.409502	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+Cl"	34.969402
"1283068"	365.116102	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Cl"	34.969402
"20521"	697.242006	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M-2H+K"	36.948606
"464458"	1027.388706	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M-2H+K"	36.948606
"835699"	367.095306	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-2H+K"	36.948606
"1563562"	367.095306	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+K-2H"	36.948606
"950352"	375.144894	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-H+HCOOH"	44.998194
"368568"	705.291601	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+HCOOH-H"	44.998201
"353545"	719.307251	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+Hac-H"	59.013851
"1500193"	389.160551	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Hac-H"	59.013851
"964453"	397.126851	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-H+NaCOOH"	66.980151
"116640"	365.116102	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+2Cl"	69.938804
"560581"	530.189452	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+2Cl"	69.938804
"1032663"	200.042752	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2Cl"	69.938804
"1253701"	409.065585	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Br"	78.918885
"1314689"	411.121572	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Cl+HCOOH"	80.974872
"1329997"	433.103529	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Cl+NaCOOH"	102.956829
"923244"	443.132286	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M-H+CF3COOH"	112.985586
"1298863"	479.108964	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Cl+CF3COOH"	148.962264
"1371557"	295.134024	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H-2H2O"	-35.012676
"1392335"	313.144	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H-H2O"	-17.0027
"290930"	661.300676	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+H"	1.007276
"680071"	991.447376	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+H"	1.007276
"1356421"	331.153976	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H"	1.007276
"130403"	331.153976	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+2H"	2.014552
"566558"	496.227326	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+2H"	2.014552
"1037255"	166.080626	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2H"	2.014552
"204510"	221.105076	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+3H"	3.021828
"644246"	331.153976	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+3H"	3.021828
"1163372"	111.056176	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+3H"	3.021828
"424617"	678.327223	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+NH4"	18.033823
"790802"	1008.473923	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+NH4"	18.033823
"1681653"	348.180523	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+NH4"	18.033823
"333225"	339.6672495	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+H+NH4"	19.041099
"725648"	504.7405995	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+H+NH4"	19.041099
"1483843"	174.5938995	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H+NH4"	19.041099
"397055"	683.282618	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+Na"	22.989218
"760239"	1013.429318	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+Na"	22.989218
"1616602"	353.135918	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Na"	22.989218
"326034"	342.144947	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+H+Na"	23.996494
"712989"	507.218297	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+H+Na"	23.996494
"1463526"	177.071597	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H+Na"	23.996494
"1058962"	118.38349	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2H+Na"	25.00377
"1266108"	363.180186	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+CH3OH+H"	33.033486
"384684"	699.256558	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+K"	38.963158
"748960"	1029.403258	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+K"	38.963158
"1551013"	369.109858	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+K"	38.963158
"312928"	350.131917	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+H+K"	39.970434
"704620"	515.205267	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+H+K"	39.970434
"1458804"	185.058567	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H+K"	39.970434
"246311"	702.327226	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+ACN+H"	42.033826
"1216834"	372.180526	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+ACN+H"	42.033826
"1200717"	186.593901	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+ACN+2H"	43.041102
"196868"	705.26456	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+2Na-H"	44.97116
"637522"	1035.41126	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+2Na-H"	44.97116
"1135560"	375.11786	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2Na-H"	44.97116
"174719"	353.135918	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+2Na"	45.978436
"618412"	518.209268	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+2Na"	45.978436
"1116042"	188.062568	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2Na"	45.978436
"1399245"	125.710804	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H+2Na"	46.985712
"1434280"	377.159446	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H+HCOOH"	47.012746
"230173"	358.16894	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+3H2O+2H"	56.04448
"1523102"	391.21149	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+IsoProp+H"	61.06479
"421579"	361.122888	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+Na+K"	61.952376
"784641"	526.196238	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+Na+K"	61.952376
"1680365"	196.049538	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Na+K"	61.952376
"266395"	724.309168	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+ACN+Na"	64.015768
"1239227"	394.162468	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+ACN+Na"	64.015768
"1724828"	394.185993	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+NH4+HCOOH"	64.039293
"1192372"	133.038118	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+3Na"	68.967654
"1662263"	399.141388	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Na+HCOOH"	68.994688
"166939"	737.21244	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+2K-H"	76.91904
"604315"	1067.35914	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+2K-H"	76.91904
"1093199"	407.06574	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2K-H"	76.91904
"148921"	369.109858	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"2M+2K"	77.926316
"591765"	534.183208	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"3M+2K"	77.926316
"1081744"	204.036508	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2K"	77.926316
"1107300"	409.080292	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2K+H"	78.933592
"1345872"	409.167907	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+DMSO+H"	79.021207
"1016588"	413.207076	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2ACN+H"	83.060376
"1527059"	414.200708	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+IsoProp+Na+H"	84.054008
"990221"	207.107176	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+2ACN+2H"	84.067652
"1590554"	415.115328	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+K+HCOOH"	84.968628
"1416216"	445.146838	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+H+CF3COOH"	115.000138
"1147595"	227.620451	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+3ACN+2H"	125.094202
"1697188"	462.173385	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+NH4+CF3COOH"	132.026685
"1637910"	467.12878	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+Na+CF3COOH"	136.98208
"1575747"	483.10272	"C11854"	"Gibberellin A51-catabolite"	"C19H22O5"	"330.1467"	"M+K+CF3COOH"	152.95602
"805017"	346.1416	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M"	0
"981831"	327.12321	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"74449"	229.753790666667	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"506363"	345.134324	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"883069"	114.373257333333	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"1038"	345.134324	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"446676"	518.205124	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"817551"	172.063524	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"81188"	691.275924	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"519530"	1037.417524	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"902922"	345.134324	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"47819"	708.302471	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"488104"	1054.444071	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"870289"	362.160871	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"42567"	713.257866	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"482129"	1059.399466	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"862851"	367.116266	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1632384"	367.116266	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"107821"	363.122663	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"546649"	536.193463	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"940531"	190.051863	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"281278"	727.252602	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"673943"	1073.394202	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1285734"	381.111002	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"30479"	729.231806	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"467848"	1075.373406	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"841277"	383.090206	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1563671"	383.090206	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"950462"	391.139794	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"367586"	737.281401	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"353654"	751.297051	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1500303"	405.155451	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"966751"	413.121751	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"120033"	381.111002	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"556316"	554.181802	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1025480"	208.040202	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1250162"	425.060485	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1316984"	427.116472	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1331199"	449.098429	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"925177"	459.127186	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1300060"	495.103864	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1368387"	311.128924	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1392444"	329.1389	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"288851"	693.290476	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"684553"	1039.432076	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1361996"	347.148876	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"135977"	347.148876	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"568248"	520.219676	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1038504"	174.078076	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"204703"	231.768342666667	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"646089"	347.148876	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1162995"	116.387809333333	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"424809"	710.317023	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"788726"	1056.458623	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1685057"	364.175423	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"332242"	355.6621495	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"725759"	528.7329495	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1489421"	182.5913495	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"400446"	715.272418	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"765816"	1061.414018	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1616833"	369.130818	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"327238"	358.139847	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"717474"	531.210647	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1469109"	185.069047	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1059073"	123.715123333333	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1267312"	379.175086	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"391235"	731.246358	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"751257"	1077.387958	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1553310"	385.104758	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"313403"	366.126817	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"705094"	539.197617	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1459281"	193.056017	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"244234"	734.317026	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1222412"	388.175426	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1200827"	194.591351	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"190417"	737.25436	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"635445"	1083.39596	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1135670"	391.11276	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"175680"	369.130818	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"618522"	542.201618	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1116314"	196.060018	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1399355"	131.042437333333	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1431474"	393.154346	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"230647"	374.16384	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1522363"	407.20639	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"420596"	377.117788	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"784022"	550.188588	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1679746"	204.046988	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"264807"	756.298968	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1237150"	410.157368	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1724583"	410.180893	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1192118"	138.369751333333	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1662374"	415.136288	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"165956"	769.20224	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"603331"	1115.34384	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1092215"	423.06064	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"147937"	385.104758	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"591872"	558.175558	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1076386"	212.033958	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1104128"	425.075192	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1340515"	425.162807	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1014512"	429.201976	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1527170"	430.195608	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"993616"	215.104626	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1591403"	431.110228	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1414502"	461.141738	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1147834"	235.617901	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1699088"	478.168285	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1636927"	483.12368	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1575857"	499.09762	"C11855"	"Gibberellin A29-catabolite"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"802212"	346.1416	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M"	0
"981940"	327.12321	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"73467"	229.753790666667	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"508659"	345.134324	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"884270"	114.373257333333	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"1147"	345.134324	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"450066"	518.205124	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"822400"	172.063524	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"87858"	691.275924	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"521952"	1037.417524	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"896836"	345.134324	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"50845"	708.302471	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"488217"	1054.444071	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"870399"	362.160871	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"44135"	713.257866	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"481146"	1059.399466	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"863693"	367.116266	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1633472"	367.116266	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"109024"	363.122663	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"543477"	536.193463	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"939546"	190.051863	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"281873"	727.252602	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"673077"	1073.394202	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1284386"	381.111002	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"29130"	729.231806	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"463584"	1075.373406	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"839200"	383.090206	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1561594"	383.090206	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"952760"	391.139794	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"368789"	737.281401	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"351943"	751.297051	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1499320"	405.155451	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"967590"	413.121751	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"120872"	381.111002	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"557519"	554.181802	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1028869"	208.040202	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1250272"	425.060485	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1311627"	427.116472	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1333132"	449.098429	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"927056"	459.127186	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1302966"	495.103864	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1370682"	311.128924	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1384534"	329.1389	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"291150"	693.290476	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"682476"	1039.432076	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1357731"	347.148876	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"134994"	347.148876	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"567993"	520.219676	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1040074"	174.078076	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"207973"	231.768342666667	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"644272"	347.148876	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1162777"	116.387809333333	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"424469"	710.317023	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"785658"	1056.458623	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1684073"	364.175423	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"333445"	355.6621495	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"727326"	528.7329495	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1490624"	182.5913495	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"407930"	715.272418	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"765926"	1061.414018	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1614756"	369.130818	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"327956"	358.139847	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"719769"	531.210647	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1475659"	185.069047	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1063558"	123.715123333333	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1267422"	379.175086	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"391466"	731.246358	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"752460"	1077.387958	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1554513"	385.104758	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"313517"	366.126817	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"705570"	539.197617	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1460483"	193.056017	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"246168"	734.317026	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1223250"	388.175426	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1198750"	194.591351	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"193807"	737.25436	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"635555"	1083.39596	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1135780"	391.11276	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"174818"	369.130818	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"617540"	542.201618	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1121045"	196.060018	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1401288"	131.042437333333	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1437781"	393.154346	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"228570"	374.16384	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1522837"	407.20639	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"423139"	377.117788	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"784375"	550.188588	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1680712"	204.046988	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"266380"	756.298968	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1239327"	410.157368	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1727603"	410.180893	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1192958"	138.369751333333	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1663943"	415.136288	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"171168"	769.20224	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"603805"	1115.34384	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1091232"	423.06064	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"145861"	385.104758	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"593076"	558.175558	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1079412"	212.033958	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1109705"	425.075192	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1342812"	425.162807	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1015716"	429.201976	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1527282"	430.195608	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"991542"	215.104626	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1591513"	431.110228	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1414982"	461.141738	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1151834"	235.617901	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1701386"	478.168285	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1643598"	483.12368	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1578154"	499.09762	"C11856"	"Gibberellin A6"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"803050"	332.1988	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M"	0
"982051"	313.18041	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"76857"	220.458590666667	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"509862"	331.191524	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"883286"	109.725657333333	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"4052"	331.191524	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"450175"	497.290924	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"819230"	165.092124	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"84688"	663.390324	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"522062"	995.589124	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"900955"	331.191524	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"53142"	680.416871	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"489179"	1012.615671	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"870509"	348.218071	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"34036"	685.372266	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"475785"	1017.571066	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"856868"	353.173466	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1627497"	353.173466	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"107676"	349.179863	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"545411"	515.279263	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"938561"	183.080463	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"278942"	699.367002	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"673187"	1031.565802	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1284132"	367.168202	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"30982"	701.346206	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"463694"	1033.545006	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"840403"	369.147406	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1562797"	369.147406	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"953599"	377.196994	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"371816"	709.395801	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"355698"	723.411451	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1497243"	391.212651	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"968064"	399.178951	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"119888"	367.168202	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"556531"	533.267602	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1028616"	201.068802	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1250377"	411.117685	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1311736"	413.173672	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1330326"	435.155629	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"922479"	445.184386	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1300280"	481.161064	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1378076"	297.186124	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1383916"	315.1961	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"292353"	665.404876	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"681493"	997.603676	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1355654"	333.206076	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"135104"	333.206076	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"567010"	499.305476	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1037384"	167.106676	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"209177"	222.473142666667	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"646550"	333.206076	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1164671"	111.740209333333	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"424378"	682.431423	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"786759"	1014.630223	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1681994"	350.232623	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"333554"	341.7193495	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"726343"	507.8187495	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1490734"	175.6199495	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"406864"	687.386818	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"766036"	1019.585618	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1616688"	355.188018	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"329923"	344.197047	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"720608"	510.296447	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1475889"	178.097647	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1062573"	119.067523333333	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1267532"	365.232286	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"387201"	703.360758	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"749291"	1035.559558	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1552435"	371.161958	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"312891"	352.184017	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"705678"	518.283417	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1459859"	186.084617	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"248826"	706.431426	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1221534"	374.232626	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1197765"	187.619951	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"189540"	709.36876	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"629831"	1041.56756	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1131993"	377.16996	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"173383"	355.188018	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"615826"	521.287418	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1117628"	189.088618	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1399572"	126.394837333333	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1433516"	379.211546	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"226492"	360.22104	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1517837"	393.26359	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"422756"	363.174988	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"784485"	529.274388	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1680334"	197.075588	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"265758"	728.413368	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1239437"	396.214568	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1725163"	396.238093	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1192340"	133.722151333333	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1663690"	401.193488	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"171158"	741.31664	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"604645"	1073.51544	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1091342"	409.11784	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"152532"	371.161958	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"593186"	537.261358	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1078794"	205.062558	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1106534"	411.132392	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1339640"	411.220007	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1012544"	415.259176	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1524714"	416.252808	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"990798"	208.133226	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1587852"	417.167428	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1415094"	447.198938	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1147568"	228.646501	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1702590"	464.225485	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1643708"	469.18088	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1578264"	485.15482	"C11857"	"Gibberellin A12"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"811909"	348.1937	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M"	0
"985443"	329.17531	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-H2O-H"	-19.01839
"75874"	231.121857333333	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M-3H"	-3.021828
"509973"	347.186424	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M-3H"	-3.021828
"883399"	115.057290666667	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-3H"	-3.021828
"9632"	347.186424	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M-2H"	-2.014552
"448098"	521.283274	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M-2H"	-2.014552
"828086"	173.089574	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-2H"	-2.014552
"90267"	695.380124	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M-H"	-1.007276
"526545"	1043.573824	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M-H"	-1.007276
"903255"	347.186424	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-H"	-1.007276
"52162"	712.406671	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M-2H+NH4"	16.019271
"489537"	1060.600371	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M-2H+NH4"	16.019271
"870619"	364.212971	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-2H+NH4"	16.019271
"34146"	717.362066	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M-2H+Na"	20.974666
"479175"	1065.555766	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M-2H+Na"	20.974666
"856978"	369.168366	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-2H+Na"	20.974666
"1627607"	369.168366	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Na-2H"	20.974666
"108150"	365.174763	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M-H+Cl"	33.962126
"542604"	539.271613	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M-H+Cl"	33.962126
"941223"	191.077913	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-H+Cl"	33.962126
"279051"	731.356802	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+Cl"	34.969402
"669650"	1079.550502	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+Cl"	34.969402
"1287971"	383.163102	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Cl"	34.969402
"29350"	733.336006	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M-2H+K"	36.948606
"468911"	1081.529706	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M-2H+K"	36.948606
"842702"	385.142306	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-2H+K"	36.948606
"1564001"	385.142306	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+K-2H"	36.948606
"953709"	393.191894	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-H+HCOOH"	44.998194
"371196"	741.385601	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+HCOOH-H"	44.998201
"356175"	755.401251	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+Hac-H"	59.013851
"1499542"	407.207551	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Hac-H"	59.013851
"967084"	415.173851	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-H+NaCOOH"	66.980151
"120365"	383.163102	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+2Cl"	69.938804
"556641"	557.259952	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+2Cl"	69.938804
"1033101"	209.066252	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2Cl"	69.938804
"1250492"	427.112585	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Br"	78.918885
"1314035"	429.168572	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Cl+HCOOH"	80.974872
"1330437"	451.150529	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Cl+NaCOOH"	102.956829
"925872"	461.179286	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M-H+CF3COOH"	112.985586
"1302579"	497.155964	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Cl+CF3COOH"	148.962264
"1379281"	313.181024	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H-2H2O"	-35.012676
"1392774"	331.191	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H-H2O"	-17.0027
"291368"	697.394676	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+H"	1.007276
"680509"	1045.588376	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+H"	1.007276
"1354671"	349.200976	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H"	1.007276
"133027"	349.200976	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+2H"	2.014552
"572588"	523.297826	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+2H"	2.014552
"1039198"	175.104126	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2H"	2.014552
"206007"	233.136409333333	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+3H"	3.021828
"649941"	349.200976	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+3H"	3.021828
"1165877"	117.071842666667	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+3H"	3.021828
"424411"	714.421223	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+NH4"	18.033823
"786382"	1062.614923	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+NH4"	18.033823
"1681535"	366.227523	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+NH4"	18.033823
"331478"	357.7142495	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+H+NH4"	19.041099
"727546"	531.8110995	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+H+NH4"	19.041099
"1492428"	183.6173995	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H+NH4"	19.041099
"408029"	719.376618	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+Na"	22.989218
"769305"	1067.570318	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+Na"	22.989218
"1617774"	371.182918	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Na"	22.989218
"326477"	360.191947	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+H+Na"	23.996494
"718897"	534.288797	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+H+Na"	23.996494
"1474905"	186.095097	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H+Na"	23.996494
"1063778"	124.399156666667	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2H+Na"	25.00377
"1268735"	381.227186	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+CH3OH+H"	33.033486
"384033"	735.350558	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+K"	38.963158
"746120"	1083.544258	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+K"	38.963158
"1547082"	387.156858	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+K"	38.963158
"309725"	368.178917	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+H+K"	39.970434
"703236"	542.275767	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+H+K"	39.970434
"1458148"	194.082067	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H+K"	39.970434
"248936"	738.421226	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+ACN+H"	42.033826
"1218364"	390.227526	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+ACN+H"	42.033826
"1197147"	195.617401	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+ACN+2H"	43.041102
"189038"	741.35856	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+2Na-H"	44.97116
"632497"	1089.55226	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+2Na-H"	44.97116
"1136001"	393.16486	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2Na-H"	44.97116
"174429"	371.182918	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+2Na"	45.978436
"620310"	545.279768	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+2Na"	45.978436
"1122358"	197.086068	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2Na"	45.978436
"1405884"	131.726470666667	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H+2Na"	46.985712
"1433626"	395.206446	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H+HCOOH"	47.012746
"226602"	376.21594	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+3H2O+2H"	56.04448
"1514666"	409.25849	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+IsoProp+H"	61.06479
"420554"	379.169888	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+Na+K"	61.952376
"783741"	553.266738	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+Na+K"	61.952376
"1680203"	205.073038	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Na+K"	61.952376
"266477"	760.403168	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+ACN+Na"	64.015768
"1238211"	412.209468	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+ACN+Na"	64.015768
"1723817"	412.232993	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+NH4+HCOOH"	64.039293
"1189533"	139.053784666667	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+3Na"	68.967654
"1660521"	417.188388	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Na+HCOOH"	68.994688
"165196"	773.30644	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+2K-H"	76.91904
"608035"	1121.50014	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+2K-H"	76.91904
"1096920"	425.11274	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2K-H"	76.91904
"153736"	387.156858	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"2M+2K"	77.926316
"595119"	561.253708	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"3M+2K"	77.926316
"1079997"	213.060008	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2K"	77.926316
"1108833"	427.127292	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2K+H"	78.933592
"1344124"	427.214907	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+DMSO+H"	79.021207
"1010467"	431.254076	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2ACN+H"	83.060376
"1529686"	432.247708	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+IsoProp+Na+H"	84.054008
"996133"	216.130676	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+2ACN+2H"	84.067652
"1587963"	433.162328	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+K+HCOOH"	84.968628
"1416297"	463.193838	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+H+CF3COOH"	115.000138
"1152055"	236.643951	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+3ACN+2H"	125.094202
"1700513"	480.220385	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+NH4+CF3COOH"	132.026685
"1636163"	485.17578	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+Na+CF3COOH"	136.98208
"1576187"	501.14972	"C11858"	"Gibberellin A14"	"C20H28O5"	"348.1937"	"M+K+CF3COOH"	152.95602
"805458"	364.1886	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M"	0
"984458"	345.17021	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"73797"	241.785124	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"512270"	363.181324	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"890069"	120.388924	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"6460"	363.181324	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"447112"	545.275624	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"831475"	181.087024	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"92562"	727.369924	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"528840"	1091.558524	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"904456"	363.181324	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"56643"	744.396471	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"489647"	1108.585071	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"866354"	380.207871	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"36443"	749.351866	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"482201"	1113.540466	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"860368"	385.163266	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1629176"	385.163266	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"108988"	381.169663	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"543807"	563.263963	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"941333"	199.075363	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"276973"	763.346602	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"668667"	1127.535202	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1287881"	399.158002	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"30919"	765.325806	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"468658"	1129.514406	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"845730"	401.137206	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1564111"	401.137206	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"949810"	409.186794	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"370213"	773.375401	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"359201"	787.391051	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1498557"	423.202451	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"967195"	431.168751	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"118287"	399.158002	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"556753"	581.252302	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1029929"	217.063702	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1252790"	443.107485	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1314143"	445.163472	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1332735"	467.145429	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"922698"	477.174186	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1300502"	513.150864	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1381459"	329.175924	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1396890"	347.1859	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"290381"	729.384476	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"682802"	1093.573076	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1354781"	365.195876	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"133137"	365.195876	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"571605"	547.290176	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1037848"	183.101576	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"206117"	243.799676	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"650051"	365.195876	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1163801"	122.403476	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"424313"	746.411023	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"788438"	1110.599623	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1682580"	382.222423	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"334141"	373.7091495	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"729479"	555.8034495	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1492055"	191.6148495	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"407329"	751.366418	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"768443"	1115.555018	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1615450"	387.177818	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"327683"	376.186847	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"717914"	558.281147	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1472830"	194.092547	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1062794"	129.73079	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1267752"	397.222086	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"386328"	767.340358	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"746232"	1131.528958	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1549380"	403.151758	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"306554"	384.173817	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"701163"	566.268117	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1457166"	202.079517	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"247954"	770.411026	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1220663"	406.222426	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1199081"	203.614851	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"194138"	773.34836	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"632971"	1137.53696	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1141578"	409.15976	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"176121"	387.177818	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"622244"	569.272118	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1123196"	205.083518	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1405265"	137.058104	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1435923"	411.201346	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"226712"	392.21084	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1518056"	425.25339	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"423581"	395.164788	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"783119"	577.259088	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1680191"	213.070488	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"266832"	792.392968	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1236498"	428.204368	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1725383"	428.227893	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1188550"	144.385418	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1661724"	433.183288	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"169678"	805.29624	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"609236"	1169.48484	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1093750"	441.10764	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"154940"	403.151758	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"590125"	585.246058	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1080105"	221.057458	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1107850"	443.122192	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1339860"	443.209807	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1013856"	447.248976	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1531983"	448.242608	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"995149"	224.128126	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1592933"	449.157228	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1417500"	479.188738	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1156534"	244.641401	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1700623"	496.215285	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1638460"	501.17068	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1573017"	517.14462	"C11859"	"Gibberellin A37 open lactone"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"802409"	348.1937	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M"	0
"984568"	329.17531	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-H2O-H"	-19.01839
"73906"	231.121857333333	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M-3H"	-3.021828
"513475"	347.186424	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M-3H"	-3.021828
"884711"	115.057290666667	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-3H"	-3.021828
"6570"	347.186424	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M-2H"	-2.014552
"447220"	521.283274	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M-2H"	-2.014552
"826117"	173.089574	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-2H"	-2.014552
"88297"	695.380124	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M-H"	-1.007276
"522390"	1043.573824	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M-H"	-1.007276
"903474"	347.186424	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-H"	-1.007276
"53474"	712.406671	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M-2H+NH4"	16.019271
"494130"	1060.600371	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M-2H+NH4"	16.019271
"866464"	364.212971	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-2H+NH4"	16.019271
"35460"	717.362066	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M-2H+Na"	20.974666
"482311"	1065.555766	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M-2H+Na"	20.974666
"860481"	369.168366	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-2H+Na"	20.974666
"1633425"	369.168366	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Na-2H"	20.974666
"108007"	365.174763	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M-H+Cl"	33.962126
"544283"	539.271613	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M-H+Cl"	33.962126
"940717"	191.077913	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-H+Cl"	33.962126
"279271"	731.356802	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+Cl"	34.969402
"671328"	1079.550502	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+Cl"	34.969402
"1286650"	383.163102	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Cl"	34.969402
"29572"	733.336006	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M-2H+K"	36.948606
"465487"	1081.529706	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M-2H+K"	36.948606
"845111"	385.142306	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-2H+K"	36.948606
"1566407"	385.142306	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+K-2H"	36.948606
"948824"	393.191894	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-H+HCOOH"	44.998194
"368136"	741.385601	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+HCOOH-H"	44.998201
"358947"	755.401251	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+Hac-H"	59.013851
"1496480"	407.207551	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Hac-H"	59.013851
"968398"	415.173851	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-H+NaCOOH"	66.980151
"119491"	383.163102	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+2Cl"	69.938804
"557957"	557.259952	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+2Cl"	69.938804
"1033319"	209.066252	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2Cl"	69.938804
"1252902"	427.112585	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Br"	78.918885
"1314253"	429.168572	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Cl+HCOOH"	80.974872
"1333574"	451.150529	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Cl+NaCOOH"	102.956829
"925360"	461.179286	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M-H+CF3COOH"	112.985586
"1295145"	497.155964	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Cl+CF3COOH"	148.962264
"1376587"	313.181024	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H-2H2O"	-35.012676
"1397368"	331.191	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H-H2O"	-17.0027
"293771"	697.394676	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+H"	1.007276
"685098"	1045.588376	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+H"	1.007276
"1354891"	349.200976	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H"	1.007276
"132154"	349.200976	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+2H"	2.014552
"571714"	523.297826	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+2H"	2.014552
"1038326"	175.104126	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2H"	2.014552
"208413"	233.136409333333	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+3H"	3.021828
"650161"	349.200976	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+3H"	3.021828
"1167192"	117.071842666667	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+3H"	3.021828
"424996"	714.421223	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+NH4"	18.033823
"786602"	1062.614923	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+NH4"	18.033823
"1682689"	366.227523	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+NH4"	18.033823
"332061"	357.7142495	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+H+NH4"	19.041099
"727399"	531.8110995	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+H+NH4"	19.041099
"1485599"	183.6173995	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H+NH4"	19.041099
"403185"	719.376618	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+Na"	22.989218
"765273"	1067.570318	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+Na"	22.989218
"1614467"	371.182918	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Na"	22.989218
"327791"	360.191947	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+H+Na"	23.996494
"719848"	534.288797	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+H+Na"	23.996494
"1472939"	186.095097	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H+Na"	23.996494
"1063999"	124.399156666667	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2H+Na"	25.00377
"1268957"	381.227186	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+CH3OH+H"	33.033486
"388625"	735.350558	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+K"	38.963158
"747434"	1083.544258	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+K"	38.963158
"1550584"	387.156858	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+K"	38.963158
"306664"	368.178917	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+H+K"	39.970434
"702002"	542.275767	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+H+K"	39.970434
"1457276"	194.082067	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H+K"	39.970434
"248064"	738.421226	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+ACN+H"	42.033826
"1219680"	390.227526	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+ACN+H"	42.033826
"1198095"	195.617401	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+ACN+2H"	43.041102
"192789"	741.35856	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+2Na-H"	44.97116
"632717"	1089.55226	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+2Na-H"	44.97116
"1135492"	393.16486	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2Na-H"	44.97116
"174408"	371.182918	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+2Na"	45.978436
"618344"	545.279768	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+2Na"	45.978436
"1121849"	197.086068	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2Na"	45.978436
"1402459"	131.726470666667	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H+2Na"	46.985712
"1434210"	395.206446	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H+HCOOH"	47.012746
"224635"	376.21594	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+3H2O+2H"	56.04448
"1514886"	409.25849	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+IsoProp+H"	61.06479
"423690"	379.169888	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+Na+K"	61.952376
"782136"	553.266738	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+Na+K"	61.952376
"1681243"	205.073038	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Na+K"	61.952376
"265358"	760.403168	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+ACN+Na"	64.015768
"1237339"	412.209468	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+ACN+Na"	64.015768
"1723674"	412.232993	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+NH4+HCOOH"	64.039293
"1190121"	139.053784666667	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+3Na"	68.967654
"1655272"	417.188388	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Na+HCOOH"	68.994688
"167600"	773.30644	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+2K-H"	76.91904
"607159"	1121.50014	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+2K-H"	76.91904
"1093861"	425.11274	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2K-H"	76.91904
"151769"	387.156858	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"2M+2K"	77.926316
"589142"	561.253708	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"3M+2K"	77.926316
"1082038"	213.060008	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2K"	77.926316
"1106865"	427.127292	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2K+H"	78.933592
"1339969"	427.214907	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+DMSO+H"	79.021207
"1012873"	431.254076	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2ACN+H"	83.060376
"1533185"	432.247708	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+IsoProp+Na+H"	84.054008
"991979"	216.130676	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+2ACN+2H"	84.067652
"1593043"	433.162328	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+K+HCOOH"	84.968628
"1417610"	463.193838	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+H+CF3COOH"	115.000138
"1150084"	236.643951	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+3ACN+2H"	125.094202
"1700733"	480.220385	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+NH4+CF3COOH"	132.026685
"1638570"	485.17578	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+Na+CF3COOH"	136.98208
"1573127"	501.14972	"C11860"	"Gibberellin A15 open lactone"	"C20H28O5"	"348.1937"	"M+K+CF3COOH"	152.95602
"805678"	346.178	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M"	0
"985408"	327.15961	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-H2O-H"	-19.01839
"71830"	229.778057333333	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M-3H"	-3.021828
"517476"	345.170724	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M-3H"	-3.021828
"887009"	114.385390666667	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-3H"	-3.021828
"8867"	345.170724	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M-2H"	-2.014552
"445147"	518.259724	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M-2H"	-2.014552
"827323"	172.081724	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-2H"	-2.014552
"85128"	691.348724	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M-H"	-1.007276
"522502"	1037.526724	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M-H"	-1.007276
"900304"	345.170724	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-H"	-1.007276
"50304"	708.375271	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M-2H+NH4"	16.019271
"498250"	1054.553271	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M-2H+NH4"	16.019271
"868761"	362.197271	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-2H+NH4"	16.019271
"35570"	713.330666	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M-2H+Na"	20.974666
"483516"	1059.508666	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M-2H+Na"	20.974666
"859132"	367.152666	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-2H+Na"	20.974666
"1633661"	367.152666	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Na-2H"	20.974666
"109892"	363.159063	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M-H+Cl"	33.962126
"549870"	536.248063	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M-H+Cl"	33.962126
"942415"	190.070063	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-H+Cl"	33.962126
"281327"	727.325402	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+Cl"	34.969402
"673868"	1073.503402	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+Cl"	34.969402
"1287250"	381.147402	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Cl"	34.969402
"29805"	729.304606	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M-2H+K"	36.948606
"465233"	1075.482606	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M-2H+K"	36.948606
"844856"	383.126606	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-2H+K"	36.948606
"1567248"	383.126606	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+K-2H"	36.948606
"950030"	391.176194	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-H+HCOOH"	44.998194
"368244"	737.354201	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+HCOOH-H"	44.998201
"358693"	751.369851	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+Hac-H"	59.013851
"1502055"	405.191851	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Hac-H"	59.013851
"971790"	413.158151	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-H+NaCOOH"	66.980151
"121060"	381.147402	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+2Cl"	69.938804
"558068"	554.236402	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+2Cl"	69.938804
"1034525"	208.058402	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2Cl"	69.938804
"1256699"	425.096885	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Br"	78.918885
"1314364"	427.152872	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Cl+HCOOH"	80.974872
"1332591"	449.134829	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Cl+NaCOOH"	102.956829
"923648"	459.163586	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M-H+CF3COOH"	112.985586
"1300722"	495.140264	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Cl+CF3COOH"	148.962264
"1381559"	311.165324	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H-2H2O"	-35.012676
"1398330"	329.1753	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H-H2O"	-17.0027
"290602"	693.363276	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+H"	1.007276
"688492"	1039.541276	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+H"	1.007276
"1354272"	347.185276	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H"	1.007276
"138826"	347.185276	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+2H"	2.014552
"576198"	520.274276	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+2H"	2.014552
"1043904"	174.096276	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2H"	2.014552
"210711"	231.792609333333	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+3H"	3.021828
"651365"	347.185276	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+3H"	3.021828
"1167303"	116.399942666667	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+3H"	3.021828
"428388"	710.389823	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+NH4"	18.033823
"787562"	1056.567823	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+NH4"	18.033823
"1684256"	364.211823	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+NH4"	18.033823
"331803"	355.6985495	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+H+NH4"	19.041099
"724956"	528.7875495	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+H+NH4"	19.041099
"1480236"	182.6095495	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H+NH4"	19.041099
"397824"	715.345218	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+Na"	22.989218
"765382"	1061.523218	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+Na"	22.989218
"1612387"	369.167218	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Na"	22.989218
"327182"	358.176247	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+H+Na"	23.996494
"720694"	531.265247	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+H+Na"	23.996494
"1474517"	185.087247	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H+Na"	23.996494
"1065937"	123.727256666667	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2H+Na"	25.00377
"1270530"	379.211486	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+CH3OH+H"	33.033486
"389832"	731.319158	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+K"	38.963158
"750098"	1077.497158	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+K"	38.963158
"1552152"	385.141158	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+K"	38.963158
"309690"	366.163217	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+H+K"	39.970434
"704298"	539.252217	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+H+K"	39.970434
"1459212"	193.074217	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H+K"	39.970434
"248175"	734.389826	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+ACN+H"	42.033826
"1221977"	388.211826	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+ACN+H"	42.033826
"1202582"	194.609551	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+ACN+2H"	43.041102
"199826"	737.32716	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+2Na-H"	44.97116
"641212"	1083.50516	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+2Na-H"	44.97116
"1142529"	391.14916	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2Na-H"	44.97116
"178893"	369.167218	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+2Na"	45.978436
"623557"	542.256218	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+2Na"	45.978436
"1123052"	196.078218	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2Na"	45.978436
"1401474"	131.054570666667	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H+2Na"	46.985712
"1434320"	393.190746	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H+HCOOH"	47.012746
"224015"	374.20024	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+3H2O+2H"	56.04448
"1512444"	407.24279	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+IsoProp+H"	61.06479
"419058"	377.154188	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+Na+K"	61.952376
"781151"	550.243188	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+Na+K"	61.952376
"1680409"	204.065188	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Na+K"	61.952376
"266438"	756.371768	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+ACN+Na"	64.015768
"1233439"	410.193768	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+ACN+Na"	64.015768
"1720504"	410.217293	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+NH4+HCOOH"	64.039293
"1188774"	138.381884666667	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+3Na"	68.967654
"1660121"	415.172688	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Na+HCOOH"	68.994688
"168078"	769.27504	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+2K-H"	76.91904
"608367"	1115.45304	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+2K-H"	76.91904
"1094703"	423.09704	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2K-H"	76.91904
"152974"	385.141158	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"2M+2K"	77.926316
"587065"	558.230158	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"3M+2K"	77.926316
"1081055"	212.052158	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2K"	77.926316
"1103695"	425.111592	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2K+H"	78.933592
"1340079"	425.199207	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+DMSO+H"	79.021207
"1011890"	429.238376	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2ACN+H"	83.060376
"1532202"	430.232008	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+IsoProp+Na+H"	84.054008
"992208"	215.122826	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+2ACN+2H"	84.067652
"1593153"	431.146628	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+K+HCOOH"	84.968628
"1417720"	461.178138	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+H+CF3COOH"	115.000138
"1152379"	235.636101	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+3ACN+2H"	125.094202
"1703031"	478.204685	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+NH4+CF3COOH"	132.026685
"1644148"	483.16008	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+Na+CF3COOH"	136.98208
"1576517"	499.13402	"C11861"	"Gibberellin A24"	"C20H26O5"	"346.178"	"M+K+CF3COOH"	152.95602
"802508"	362.1729	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M"	0
"983695"	343.15451	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"74124"	240.441324	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"514786"	361.165624	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"886028"	119.717024	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"6790"	361.165624	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"448538"	542.252074	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"821968"	180.079174	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"85240"	723.338524	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"522613"	1085.511424	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"897498"	361.165624	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"50414"	740.365071	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"493257"	1102.537971	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"864858"	378.192171	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"35680"	745.320466	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"485811"	1107.493366	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"859606"	383.147566	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1633407"	383.147566	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"109567"	379.153963	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"549737"	560.240413	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"942030"	198.067513	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"281192"	759.315202	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"673735"	1121.488102	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1287358"	397.142302	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"30157"	761.294406	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"467530"	1123.467306	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"845331"	399.121506	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1566632"	399.121506	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"953421"	407.171094	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"367261"	769.344001	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"359167"	783.359651	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1502165"	421.186751	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"972264"	429.153051	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"120077"	397.142302	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"558178"	578.228752	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1034998"	216.055852	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1253119"	441.091785	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1318485"	443.147772	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1335574"	465.129729	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"926310"	475.158486	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1304104"	511.135164	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1382155"	327.160224	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1398397"	345.1702	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"298246"	725.353076	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"689695"	1087.525976	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1357298"	363.180176	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"138936"	363.180176	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"576308"	544.266626	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1044014"	182.093726	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"213010"	242.455876	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"651478"	363.180176	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1165227"	121.731576	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"428498"	742.379623	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"787064"	1104.552523	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1683270"	380.206723	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"331185"	371.6934495	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"724093"	552.7798995	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1480346"	190.6069995	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"396110"	747.335018	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"764399"	1109.507918	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1612497"	385.162118	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"322535"	374.171147	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"720923"	555.257597	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1475350"	193.084697	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1066045"	129.05889	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1270642"	395.206386	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"387754"	763.308958	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"752395"	1125.481858	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1553354"	401.136058	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"312350"	382.158117	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"703677"	563.244567	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1459684"	201.071667	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"247191"	766.379626	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1219900"	404.206726	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1202692"	202.607001	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"194102"	769.31696	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"639499"	1131.48986	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1141910"	407.14406	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"176815"	385.162118	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"621845"	566.248568	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1123890"	204.075668	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1402314"	136.386204	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1434430"	409.185646	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"223761"	390.19514	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1510731"	423.23769	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"419168"	393.149088	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"782354"	574.235538	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1680520"	212.062638	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"265941"	788.361568	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1233548"	426.188668	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1721709"	426.212193	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1189249"	143.713518	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1659505"	431.167588	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"169283"	801.26484	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"607019"	1163.43774	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1095907"	439.09194	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"153082"	401.136058	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"587175"	582.222508	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1082257"	220.049608	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1103805"	441.106492	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1339095"	441.194107	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1012000"	445.233276	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1530125"	446.226908	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"992197"	223.120276	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1593263"	447.141528	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1416737"	477.173038	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1150303"	243.633551	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1703141"	494.199585	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1644258"	499.15498	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1576627"	515.12892	"C11862"	"Gibberellin A36"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"803711"	316.1675	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M"	0
"982711"	297.14911	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-H2O-H"	-19.01839
"72047"	209.771057333333	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M-3H"	-3.021828
"515990"	315.160224	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M-3H"	-3.021828
"886138"	104.381890666667	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-3H"	-3.021828
"3620"	315.160224	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M-2H"	-2.014552
"445368"	473.243974	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M-2H"	-2.014552
"823171"	157.076474	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-2H"	-2.014552
"86443"	631.327724	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M-H"	-1.007276
"523817"	947.495224	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M-H"	-1.007276
"895816"	315.160224	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-H"	-1.007276
"47280"	648.354271	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M-2H+NH4"	16.019271
"488017"	964.521771	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M-2H+NH4"	16.019271
"864298"	332.186771	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-2H+NH4"	16.019271
"34696"	653.309666	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M-2H+Na"	20.974666
"483005"	969.477166	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M-2H+Na"	20.974666
"859715"	337.142166	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-2H+Na"	20.974666
"1633998"	337.142166	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Na-2H"	20.974666
"109715"	333.148563	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M-H+Cl"	33.962126
"549557"	491.232313	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M-H+Cl"	33.962126
"938856"	175.064813	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-H+Cl"	33.962126
"278505"	667.304402	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+Cl"	34.969402
"674087"	983.471902	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+Cl"	34.969402
"1285518"	351.136902	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Cl"	34.969402
"31119"	669.283606	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M-2H+K"	36.948606
"470557"	985.451106	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M-2H+K"	36.948606
"843254"	353.116106	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-2H+K"	36.948606
"1563460"	353.116106	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+K-2H"	36.948606
"944782"	361.165694	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-H+HCOOH"	44.998194
"362995"	677.333201	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+HCOOH-H"	44.998201
"350163"	691.348851	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+Hac-H"	59.013851
"1498994"	375.181351	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Hac-H"	59.013851
"968364"	383.147651	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-H+NaCOOH"	66.980151
"117271"	351.136902	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+2Cl"	69.938804
"557194"	509.220652	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+2Cl"	69.938804
"1029274"	193.053152	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2Cl"	69.938804
"1252863"	395.086385	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Br"	78.918885
"1317137"	397.142372	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Cl+HCOOH"	80.974872
"1329531"	419.124329	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Cl+NaCOOH"	102.956829
"919860"	429.153086	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M-H+CF3COOH"	112.985586
"1294383"	465.129764	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Cl+CF3COOH"	148.962264
"1375825"	281.154824	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H-2H2O"	-35.012676
"1391134"	299.1648	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H-H2O"	-17.0027
"289729"	633.342276	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+H"	1.007276
"683243"	949.509776	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+H"	1.007276
"1354856"	317.174776	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H"	1.007276
"137952"	317.174776	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+2H"	2.014552
"579577"	475.258526	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+2H"	2.014552
"1040842"	159.091026	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2H"	2.014552
"208745"	211.785609333333	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+3H"	3.021828
"646847"	317.174776	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+3H"	3.021828
"1162818"	106.396442666667	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+3H"	3.021828
"426055"	650.368823	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+NH4"	18.033823
"785954"	966.536323	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+NH4"	18.033823
"1681431"	334.201323	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+NH4"	18.033823
"330005"	325.6880495	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+H+NH4"	19.041099
"722895"	483.7717995	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+H+NH4"	19.041099
"1477199"	167.6042995	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H+NH4"	19.041099
"392833"	655.324218	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+Na"	22.989218
"754415"	971.491718	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+Na"	22.989218
"1604583"	339.156718	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Na"	22.989218
"318271"	328.165747	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+H+Na"	23.996494
"722001"	486.249497	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+H+Na"	23.996494
"1468894"	170.081997	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H+Na"	23.996494
"1066881"	113.723756666667	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2H+Na"	25.00377
"1271478"	349.200986	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+CH3OH+H"	33.033486
"391512"	671.298158	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+K"	38.963158
"753235"	987.465658	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+K"	38.963158
"1553829"	355.130658	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+K"	38.963158
"310273"	336.152717	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+H+K"	39.970434
"704879"	494.236467	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+H+K"	39.970434
"1457606"	178.068967	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H+K"	39.970434
"244021"	674.368826	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+ACN+H"	42.033826
"1213812"	358.201326	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+ACN+H"	42.033826
"1204988"	179.604301	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+ACN+2H"	43.041102
"194212"	677.30616	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+2Na-H"	44.97116
"640699"	993.47366	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+2Na-H"	44.97116
"1143112"	361.13866	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2Na-H"	44.97116
"176925"	339.156718	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+2Na"	45.978436
"620494"	497.240468	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+2Na"	45.978436
"1124000"	181.072968	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2Na"	45.978436
"1403881"	121.051070666667	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H+2Na"	46.985712
"1433810"	363.180246	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H+HCOOH"	47.012746
"224599"	344.18974	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+3H2O+2H"	56.04448
"1513029"	377.23229	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+IsoProp+H"	61.06479
"412717"	347.143688	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+Na+K"	61.952376
"779183"	505.227438	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+Na+K"	61.952376
"1679776"	189.059938	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Na+K"	61.952376
"264953"	696.350768	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+ACN+Na"	64.015768
"1240222"	380.183268	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+ACN+Na"	64.015768
"1723640"	380.206793	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+NH4+HCOOH"	64.039293
"1191911"	128.378384666667	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+3Na"	68.967654
"1662169"	385.162188	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Na+HCOOH"	68.994688
"170849"	709.25404	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+2K-H"	76.91904
"611137"	1025.42154	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+2K-H"	76.91904
"1097111"	393.08654	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2K-H"	76.91904
"154651"	355.130658	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"2M+2K"	77.926316
"587284"	513.214408	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"3M+2K"	77.926316
"1078357"	197.046908	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2K"	77.926316
"1105008"	395.101092	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2K+H"	78.933592
"1338111"	395.188707	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+DMSO+H"	79.021207
"1007855"	399.227876	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2ACN+H"	83.060376
"1530235"	400.221508	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+IsoProp+Na+H"	84.054008
"992307"	200.117576	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+2ACN+2H"	84.067652
"1589119"	401.136128	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+K+HCOOH"	84.968628
"1416847"	431.167638	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+H+CF3COOH"	115.000138
"1150777"	220.630851	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+3ACN+2H"	125.094202
"1706531"	448.194185	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+NH4+CF3COOH"	132.026685
"1644368"	453.14958	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+Na+CF3COOH"	136.98208
"1575644"	469.12352	"C11863"	"Gibberellin A9"	"C19H24O4"	"316.1675"	"M+K+CF3COOH"	152.95602
"803821"	332.1624	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M"	0
"982821"	313.14401	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-H2O-H"	-19.01839
"73253"	220.434324	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M-3H"	-3.021828
"512820"	331.155124	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M-3H"	-3.021828
"884060"	109.713524	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-3H"	-3.021828
"10293"	331.155124	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M-2H"	-2.014552
"442198"	497.236324	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M-2H"	-2.014552
"820000"	165.073924	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-2H"	-2.014552
"83272"	663.317524	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M-H"	-1.007276
"520401"	995.479924	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M-H"	-1.007276
"896864"	331.155124	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-H"	-1.007276
"47216"	680.344071	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M-2H+NH4"	16.019271
"487518"	1012.506471	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M-2H+NH4"	16.019271
"864423"	348.181671	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-2H+NH4"	16.019271
"33711"	685.299466	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M-2H+Na"	20.974666
"477647"	1017.461866	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M-2H+Na"	20.974666
"860918"	353.137066	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-2H+Na"	20.974666
"1632887"	353.137066	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Na-2H"	20.974666
"109966"	349.143463	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M-H+Cl"	33.962126
"546179"	515.224663	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M-H+Cl"	33.962126
"941031"	183.062263	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-H+Cl"	33.962126
"277520"	699.294202	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+Cl"	34.969402
"672131"	1031.456602	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+Cl"	34.969402
"1282347"	367.131802	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Cl"	34.969402
"28186"	701.273406	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M-2H+K"	36.948606
"470180"	1033.435806	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M-2H+K"	36.948606
"841175"	369.111006	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-2H+K"	36.948606
"1563569"	369.111006	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+K-2H"	36.948606
"945985"	377.160594	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-H+HCOOH"	44.998194
"362498"	709.323001	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+HCOOH-H"	44.998201
"350272"	723.338651	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+Hac-H"	59.013851
"1499104"	391.176251	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Hac-H"	59.013851
"962277"	399.142551	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-H+NaCOOH"	66.980151
"112276"	367.131802	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+2Cl"	69.938804
"552561"	533.213002	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+2Cl"	69.938804
"1026096"	201.050602	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2Cl"	69.938804
"1242396"	411.081285	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Br"	78.918885
"1304849"	413.137272	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Cl+HCOOH"	80.974872
"1332189"	435.119229	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Cl+NaCOOH"	102.956829
"922155"	445.147986	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M-H+CF3COOH"	112.985586
"1297775"	481.124664	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Cl+CF3COOH"	148.962264
"1375935"	297.149724	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H-2H2O"	-35.012676
"1391244"	315.1597	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H-H2O"	-17.0027
"289839"	665.332076	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+H"	1.007276
"683353"	997.494476	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+H"	1.007276
"1357518"	333.169676	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H"	1.007276
"138062"	333.169676	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+2H"	2.014552
"579809"	499.250876	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+2H"	2.014552
"1044234"	167.088476	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2H"	2.014552
"213228"	222.448876	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+3H"	3.021828
"648415"	333.169676	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+3H"	3.021828
"1165445"	111.728076	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+3H"	3.021828
"428352"	682.358623	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+NH4"	18.033823
"785903"	1014.521023	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+NH4"	18.033823
"1681460"	350.196223	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+NH4"	18.033823
"330511"	341.6829495	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+H+NH4"	19.041099
"722965"	507.7641495	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+H+NH4"	19.041099
"1477077"	175.6017495	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H+NH4"	19.041099
"392996"	687.314018	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+Na"	22.989218
"754565"	1019.476418	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+Na"	22.989218
"1606150"	355.151618	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Na"	22.989218
"318381"	344.160647	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+H+Na"	23.996494
"720289"	510.241847	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+H+Na"	23.996494
"1472283"	178.079447	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H+Na"	23.996494
"1065534"	119.05539	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2H+Na"	25.00377
"1271223"	365.195886	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+CH3OH+H"	33.033486
"392230"	703.287958	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+K"	38.963158
"754073"	1035.450358	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+K"	38.963158
"1555033"	371.125558	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+K"	38.963158
"311842"	352.147617	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+H+K"	39.970434
"700616"	518.228817	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+H+K"	39.970434
"1457716"	186.066417	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H+K"	39.970434
"244130"	706.358626	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+ACN+H"	42.033826
"1216109"	374.196226	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+ACN+H"	42.033826
"1201087"	187.601751	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+ACN+2H"	43.041102
"193229"	709.29596	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+2Na-H"	44.97116
"631696"	1041.45836	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+2Na-H"	44.97116
"1141035"	377.13356	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2Na-H"	44.97116
"183232"	355.151618	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+2Na"	45.978436
"619876"	521.232818	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+2Na"	45.978436
"1123381"	189.070418	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2Na"	45.978436
"1408727"	126.382704	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H+2Na"	46.985712
"1433556"	379.175146	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H+HCOOH"	47.012746
"222157"	360.18464	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+3H2O+2H"	56.04448
"1512045"	393.22719	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+IsoProp+H"	61.06479
"413920"	363.138588	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+Na+K"	61.952376
"778199"	529.219788	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+Na+K"	61.952376
"1680861"	197.057388	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Na+K"	61.952376
"263239"	728.340568	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+ACN+Na"	64.015768
"1239966"	396.178168	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+ACN+Na"	64.015768
"1725571"	396.201693	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+NH4+HCOOH"	64.039293
"1191655"	133.710018	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+3Na"	68.967654
"1662276"	401.157088	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Na+HCOOH"	68.994688
"172051"	741.24384	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+2K-H"	76.91904
"610882"	1073.40624	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+2K-H"	76.91904
"1097947"	409.08144	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2K-H"	76.91904
"154033"	371.125558	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"2M+2K"	77.926316
"591768"	537.206758	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"3M+2K"	77.926316
"1076280"	205.044358	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2K"	77.926316
"1108396"	411.095992	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2K+H"	78.933592
"1338221"	411.183607	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+DMSO+H"	79.021207
"1007843"	415.222776	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2ACN+H"	83.060376
"1530344"	416.216408	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+IsoProp+Na+H"	84.054008
"991324"	208.115026	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+2ACN+2H"	84.067652
"1589106"	417.131028	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+K+HCOOH"	84.968628
"1415862"	447.162538	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+H+CF3COOH"	115.000138
"1155992"	228.628301	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+3ACN+2H"	125.094202
"1704451"	464.189085	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+NH4+CF3COOH"	132.026685
"1639006"	469.14448	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+Na+CF3COOH"	136.98208
"1573567"	485.11842	"C11864"	"Gibberellin A4"	"C19H24O5"	"332.1624"	"M+K+CF3COOH"	152.95602
"811587"	332.1624	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M"	0
"984028"	313.14401	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-H2O-H"	-19.01839
"70084"	220.434324	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M-3H"	-3.021828
"515116"	331.155124	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M-3H"	-3.021828
"884171"	109.713524	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-3H"	-3.021828
"10403"	331.155124	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M-2H"	-2.014552
"442308"	497.236324	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M-2H"	-2.014552
"820110"	165.073924	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-2H"	-2.014552
"83382"	663.317524	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M-H"	-1.007276
"519659"	995.479924	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M-H"	-1.007276
"897463"	331.155124	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-H"	-1.007276
"47701"	680.344071	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M-2H+NH4"	16.019271
"488113"	1012.506471	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M-2H+NH4"	16.019271
"864497"	348.181671	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-2H+NH4"	16.019271
"33821"	685.299466	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M-2H+Na"	20.974666
"478850"	1017.461866	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M-2H+Na"	20.974666
"859935"	353.137066	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-2H+Na"	20.974666
"1632755"	353.137066	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Na-2H"	20.974666
"109570"	349.143463	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M-H+Cl"	33.962126
"547383"	515.224663	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M-H+Cl"	33.962126
"937618"	183.062263	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-H+Cl"	33.962126
"279454"	699.294202	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+Cl"	34.969402
"674674"	1031.456602	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+Cl"	34.969402
"1286590"	367.131802	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Cl"	34.969402
"26108"	701.273406	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M-2H+K"	36.948606
"469679"	1033.435806	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M-2H+K"	36.948606
"840191"	369.111006	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-2H+K"	36.948606
"1565866"	369.111006	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+K-2H"	36.948606
"945003"	377.160594	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-H+HCOOH"	44.998194
"363217"	709.323001	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+HCOOH-H"	44.998201
"353663"	723.338651	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+Hac-H"	59.013851
"1499214"	391.176251	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Hac-H"	59.013851
"965667"	399.142551	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-H+NaCOOH"	66.980151
"113480"	367.131802	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+2Cl"	69.938804
"553036"	533.213002	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+2Cl"	69.938804
"1026572"	201.050602	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2Cl"	69.938804
"1243114"	411.081285	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Br"	78.918885
"1304958"	413.137272	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Cl+HCOOH"	80.974872
"1329019"	435.119229	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Cl+NaCOOH"	102.956829
"918985"	445.147986	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M-H+CF3COOH"	112.985586
"1303352"	481.124664	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Cl+CF3COOH"	148.962264
"1381149"	297.149724	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H-2H2O"	-35.012676
"1397065"	315.1597	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H-H2O"	-17.0027
"289949"	665.332076	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+H"	1.007276
"685650"	997.494476	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+H"	1.007276
"1354348"	333.169676	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H"	1.007276
"138170"	333.169676	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+2H"	2.014552
"577731"	499.250876	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+2H"	2.014552
"1040335"	167.088476	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2H"	2.014552
"209329"	222.448876	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+3H"	3.021828
"648891"	333.169676	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+3H"	3.021828
"1168108"	111.728076	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+3H"	3.021828
"432108"	682.358623	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+NH4"	18.033823
"787636"	1014.521023	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+NH4"	18.033823
"1683236"	350.196223	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+NH4"	18.033823
"334796"	341.6829495	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+H+NH4"	19.041099
"722864"	507.7641495	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+H+NH4"	19.041099
"1477211"	175.6017495	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H+NH4"	19.041099
"394616"	687.314018	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+Na"	22.989218
"755609"	1019.476418	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+Na"	22.989218
"1606989"	355.151618	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Na"	22.989218
"325053"	344.160647	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+H+Na"	23.996494
"718942"	510.241847	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+H+Na"	23.996494
"1471300"	178.079447	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H+Na"	23.996494
"1063820"	119.05539	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2H+Na"	25.00377
"1268411"	365.195886	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+CH3OH+H"	33.033486
"389543"	703.287958	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+K"	38.963158
"752358"	1035.450358	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+K"	38.963158
"1551129"	371.125558	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+K"	38.963158
"309397"	352.147617	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+H+K"	39.970434
"700725"	518.228817	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+H+K"	39.970434
"1452357"	186.066417	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H+K"	39.970434
"245335"	706.358626	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+ACN+H"	42.033826
"1218044"	374.196226	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+ACN+H"	42.033826
"1201197"	187.601751	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+ACN+2H"	43.041102
"200266"	709.29596	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+2Na-H"	44.97116
"637639"	1041.45836	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+2Na-H"	44.97116
"1141149"	377.13356	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2Na-H"	44.97116
"178967"	355.151618	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+2Na"	45.978436
"619257"	521.232818	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+2Na"	45.978436
"1122034"	189.070418	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2Na"	45.978436
"1406651"	126.382704	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H+2Na"	46.985712
"1435489"	379.175146	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H+HCOOH"	47.012746
"227371"	360.18464	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+3H2O+2H"	56.04448
"1511789"	393.22719	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+IsoProp+H"	61.06479
"412937"	363.138588	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+Na+K"	61.952376
"779401"	529.219788	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+Na+K"	61.952376
"1678295"	197.057388	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Na+K"	61.952376
"261163"	728.340568	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+ACN+Na"	64.015768
"1238983"	396.178168	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+ACN+Na"	64.015768
"1725317"	396.201693	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+NH4+HCOOH"	64.039293
"1191035"	133.710018	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+3Na"	68.967654
"1659834"	401.157088	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Na+HCOOH"	68.994688
"167425"	741.24384	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+2K-H"	76.91904
"609899"	1073.40624	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+2K-H"	76.91904
"1094775"	409.08144	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2K-H"	76.91904
"153414"	371.125558	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"2M+2K"	77.926316
"592244"	537.206758	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"3M+2K"	77.926316
"1075298"	205.044358	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2K"	77.926316
"1105227"	411.095992	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2K+H"	78.933592
"1344890"	411.183607	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+DMSO+H"	79.021207
"1014513"	415.222776	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2ACN+H"	83.060376
"1528264"	416.216408	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+IsoProp+Na+H"	84.054008
"995806"	208.115026	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+2ACN+2H"	84.067652
"1592496"	417.131028	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+K+HCOOH"	84.968628
"1414389"	447.162538	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+H+CF3COOH"	115.000138
"1150635"	228.628301	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+3ACN+2H"	125.094202
"1699094"	464.189085	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+NH4+CF3COOH"	132.026685
"1641307"	469.14448	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+Na+CF3COOH"	136.98208
"1582425"	485.11842	"C11865"	"Gibberellin A51"	"C19H24O5"	"332.1624"	"M+K+CF3COOH"	152.95602
"812792"	314.1518	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M"	0
"979765"	295.13341	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-H2O-H"	-19.01839
"71287"	208.427257333333	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M-3H"	-3.021828
"509761"	313.144524	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M-3H"	-3.021828
"889751"	103.709990666667	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-3H"	-3.021828
"6139"	313.144524	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M-2H"	-2.014552
"443511"	470.220424	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M-2H"	-2.014552
"823501"	156.068624	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-2H"	-2.014552
"82401"	627.296324	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M-H"	-1.007276
"523053"	941.448124	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M-H"	-1.007276
"900854"	313.144524	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-H"	-1.007276
"49396"	644.322871	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M-2H+NH4"	16.019271
"487980"	958.474671	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M-2H+NH4"	16.019271
"865175"	330.171071	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-2H+NH4"	16.019271
"41591"	649.278266	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M-2H+Na"	20.974666
"481150"	963.430066	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M-2H+Na"	20.974666
"861141"	335.126466	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-2H+Na"	20.974666
"1624113"	335.126466	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Na-2H"	20.974666
"105017"	331.132863	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M-H+Cl"	33.962126
"549200"	488.208763	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M-H+Cl"	33.962126
"935905"	174.056963	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-H+Cl"	33.962126
"279931"	663.273002	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+Cl"	34.969402
"672352"	977.424802	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+Cl"	34.969402
"1287310"	349.121202	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Cl"	34.969402
"27312"	665.252206	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M-2H+K"	36.948606
"470153"	979.404006	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M-2H+K"	36.948606
"842488"	351.100406	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-2H+K"	36.948606
"1560509"	351.100406	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+K-2H"	36.948606
"947299"	359.149994	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-H+HCOOH"	44.998194
"366608"	673.301801	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+HCOOH-H"	44.998201
"353772"	687.317451	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+Hac-H"	59.013851
"1500417"	373.165651	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Hac-H"	59.013851
"964684"	381.131951	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-H+NaCOOH"	66.980151
"114683"	349.121202	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+2Cl"	69.938804
"553146"	506.197102	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+2Cl"	69.938804
"1024133"	192.045302	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2Cl"	69.938804
"1244079"	393.070685	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Br"	78.918885
"1306891"	395.126672	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Cl+HCOOH"	80.974872
"1329129"	417.108629	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Cl+NaCOOH"	102.956829
"919095"	427.137386	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M-H+CF3COOH"	112.985586
"1297994"	463.114064	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Cl+CF3COOH"	148.962264
"1375062"	279.139124	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H-2H2O"	-35.012676
"1393651"	297.1491	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H-H2O"	-17.0027
"290059"	629.310876	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+H"	1.007276
"687949"	943.462676	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+H"	1.007276
"1357736"	315.159076	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H"	1.007276
"138282"	315.159076	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+2H"	2.014552
"574561"	472.234976	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+2H"	2.014552
"1048829"	158.083176	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2H"	2.014552
"210168"	210.441809333333	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+3H"	3.021828
"651918"	315.159076	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+3H"	3.021828
"1171136"	105.724542666667	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+3H"	3.021828
"428939"	646.337423	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+NH4"	18.033823
"788475"	960.489223	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+NH4"	18.033823
"1682618"	332.185623	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+NH4"	18.033823
"330531"	323.6723495	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+H+NH4"	19.041099
"723069"	480.7482495	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+H+NH4"	19.041099
"1478597"	166.5964495	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H+NH4"	19.041099
"398375"	651.292818	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+Na"	22.989218
"757182"	965.444618	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+Na"	22.989218
"1606736"	337.141018	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Na"	22.989218
"326256"	326.150047	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+H+Na"	23.996494
"720510"	483.225947	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+H+Na"	23.996494
"1471412"	169.074147	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H+Na"	23.996494
"1065386"	113.051856666667	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2H+Na"	25.00377
"1268165"	347.185286	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+CH3OH+H"	33.033486
"390385"	667.266758	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+K"	38.963158
"751013"	981.418558	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+K"	38.963158
"1553429"	353.114958	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+K"	38.963158
"311693"	334.137017	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+H+K"	39.970434
"705212"	491.212917	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+H+K"	39.970434
"1460126"	177.061117	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H+K"	39.970434
"246538"	670.337426	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+ACN+H"	42.033826
"1222895"	356.185626	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+ACN+H"	42.033826
"1204226"	178.596451	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+ACN+2H"	43.041102
"200377"	673.27476	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+2Na-H"	44.97116
"639573"	987.42656	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+2Na-H"	44.97116
"1143443"	359.12296	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2Na-H"	44.97116
"182359"	337.141018	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+2Na"	45.978436
"620460"	494.216918	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+2Na"	45.978436
"1124332"	180.065118	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2Na"	45.978436
"1408585"	120.379170666667	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H+2Na"	46.985712
"1433411"	361.164546	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H+HCOOH"	47.012746
"223107"	342.17404	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+3H2O+2H"	56.04448
"1512264"	375.21659	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+IsoProp+H"	61.06479
"416327"	345.127988	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+Na+K"	61.952376
"778417"	502.203888	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+Na+K"	61.952376
"1679742"	188.052088	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Na+K"	61.952376
"265893"	692.319368	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+ACN+Na"	64.015768
"1238727"	378.167568	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+ACN+Na"	64.015768
"1725790"	378.191093	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+NH4+HCOOH"	64.039293
"1191146"	127.706484666667	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+3Na"	68.967654
"1662857"	383.146488	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Na+HCOOH"	68.994688
"169719"	705.22264	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+2K-H"	76.91904
"609278"	1019.37444	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+2K-H"	76.91904
"1097071"	391.07084	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2K-H"	76.91904
"151700"	353.114958	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"2M+2K"	77.926316
"592718"	510.190858	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"3M+2K"	77.926316
"1077593"	196.039058	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2K"	77.926316
"1107522"	393.085392	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2K+H"	78.933592
"1340626"	393.173007	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+DMSO+H"	79.021207
"1005729"	397.212176	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2ACN+H"	83.060376
"1524279"	398.205808	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+IsoProp+Na+H"	84.054008
"990692"	199.109726	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+2ACN+2H"	84.067652
"1588236"	399.120428	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+K+HCOOH"	84.968628
"1418271"	429.151938	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+H+CF3COOH"	115.000138
"1156215"	219.623001	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+3ACN+2H"	125.094202
"1707955"	446.178485	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+NH4+CF3COOH"	132.026685
"1646886"	451.13388	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+Na+CF3COOH"	136.98208
"1582535"	467.10782	"C11866"	"23-Dehydro-gibberellin A9;23-Didehydro-gibberellin A9"	"C19H22O4"	"314.1518"	"M+K+CF3COOH"	152.95602
"812900"	330.1467	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M"	0
"977689"	311.12831	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-H2O-H"	-19.01839
"68119"	219.090524	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M-3H"	-3.021828
"509871"	329.139424	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M-3H"	-3.021828
"884393"	109.041624	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-3H"	-3.021828
"1876"	329.139424	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M-2H"	-2.014552
"449089"	494.212774	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M-2H"	-2.014552
"823611"	164.066074	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-2H"	-2.014552
"84697"	659.286124	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M-H"	-1.007276
"526443"	989.432824	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M-H"	-1.007276
"900964"	329.139424	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-H"	-1.007276
"53152"	676.312671	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M-2H+NH4"	16.019271
"488703"	1006.459371	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M-2H+NH4"	16.019271
"867599"	346.165971	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-2H+NH4"	16.019271
"42794"	681.268066	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M-2H+Na"	20.974666
"484176"	1011.414766	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M-2H+Na"	20.974666
"860159"	351.121366	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-2H+Na"	20.974666
"1628599"	351.121366	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Na-2H"	20.974666
"106221"	347.127763	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M-H+Cl"	33.962126
"545781"	512.201113	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M-H+Cl"	33.962126
"936014"	182.054413	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-H+Cl"	33.962126
"277852"	695.262802	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+Cl"	34.969402
"666994"	1025.409502	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+Cl"	34.969402
"1284868"	365.116102	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Cl"	34.969402
"23048"	697.242006	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M-2H+K"	36.948606
"465891"	1027.388706	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M-2H+K"	36.948606
"840412"	367.095306	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-2H+K"	36.948606
"1559890"	367.095306	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+K-2H"	36.948606
"947409"	375.144894	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-H+HCOOH"	44.998194
"366718"	705.291601	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+HCOOH-H"	44.998201
"351695"	719.307251	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+Hac-H"	59.013851
"1497247"	389.160551	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Hac-H"	59.013851
"964795"	397.126851	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-H+NaCOOH"	66.980151
"113702"	365.116102	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+2Cl"	69.938804
"553260"	530.189452	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+2Cl"	69.938804
"1023151"	200.042752	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2Cl"	69.938804
"1248200"	409.065585	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Br"	78.918885
"1309553"	411.121572	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Cl+HCOOH"	80.974872
"1328146"	433.103529	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Cl+NaCOOH"	102.956829
"913007"	443.132286	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M-H+CF3COOH"	112.985586
"1298105"	479.108964	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Cl+CF3COOH"	148.962264
"1378452"	295.134024	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H-2H2O"	-35.012676
"1394854"	313.144	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H-H2O"	-17.0027
"290169"	661.300676	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+H"	1.007276
"685872"	991.447376	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+H"	1.007276
"1361126"	331.153976	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H"	1.007276
"135111"	331.153976	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+2H"	2.014552
"574671"	496.227326	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+2H"	2.014552
"1047843"	166.080626	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2H"	2.014552
"210280"	221.105076	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+3H"	3.021828
"648018"	331.153976	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+3H"	3.021828
"1165778"	111.056176	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+3H"	3.021828
"426254"	678.327223	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+NH4"	18.033823
"788952"	1008.473923	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+NH4"	18.033823
"1682365"	348.180523	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+NH4"	18.033823
"330433"	339.6672495	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+H+NH4"	19.041099
"723907"	504.7405995	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+H+NH4"	19.041099
"1480897"	174.5938995	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H+NH4"	19.041099
"398485"	683.282618	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+Na"	22.989218
"759479"	1013.429318	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+Na"	22.989218
"1604296"	353.135918	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Na"	22.989218
"328552"	342.144947	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+H+Na"	23.996494
"719884"	507.218297	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+H+Na"	23.996494
"1473709"	177.071597	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H+Na"	23.996494
"1065860"	118.38349	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2H+Na"	25.00377
"1270463"	363.180186	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+CH3OH+H"	33.033486
"390858"	699.256558	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+K"	38.963158
"752581"	1029.403258	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+K"	38.963158
"1554268"	369.109858	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+K"	38.963158
"309618"	350.131917	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+H+K"	39.970434
"706051"	515.205267	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+H+K"	39.970434
"1460600"	185.058567	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H+K"	39.970434
"246648"	702.327226	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+ACN+H"	42.033826
"1223005"	372.180526	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+ACN+H"	42.033826
"1207255"	186.593901	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+ACN+2H"	43.041102
"197209"	705.26456	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+2Na-H"	44.97116
"637862"	1035.41126	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+2Na-H"	44.97116
"1137358"	375.11786	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2Na-H"	44.97116
"185751"	353.135918	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+2Na"	45.978436
"623127"	518.209268	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+2Na"	45.978436
"1127725"	188.062568	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2Na"	45.978436
"1409426"	125.710804	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H+2Na"	46.985712
"1435708"	377.159446	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H+HCOOH"	47.012746
"224312"	358.16894	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+3H2O+2H"	56.04448
"1511281"	391.21149	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+IsoProp+H"	61.06479
"417533"	361.122888	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+Na+K"	61.952376
"785094"	526.196238	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+Na+K"	61.952376
"1679607"	196.049538	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Na+K"	61.952376
"264672"	724.309168	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+ACN+Na"	64.015768
"1239568"	394.162468	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+ACN+Na"	64.015768
"1722622"	394.185993	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+NH4+HCOOH"	64.039293
"1189069"	133.038118	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+3Na"	68.967654
"1658230"	399.141388	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Na+HCOOH"	68.994688
"168736"	737.21244	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+2K-H"	76.91904
"605379"	1067.35914	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+2K-H"	76.91904
"1093173"	407.06574	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2K-H"	76.91904
"149987"	369.109858	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"2M+2K"	77.926316
"591004"	534.183208	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"3M+2K"	77.926316
"1078797"	204.036508	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2K"	77.926316
"1112009"	409.080292	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2K+H"	78.933592
"1340739"	409.167907	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+DMSO+H"	79.021207
"1007083"	413.207076	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2ACN+H"	83.060376
"1525693"	414.200708	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+IsoProp+Na+H"	84.054008
"993845"	207.107176	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+2ACN+2H"	84.067652
"1589440"	415.115328	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+K+HCOOH"	84.968628
"1416192"	445.146838	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+H+CF3COOH"	115.000138
"1147941"	227.620451	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+3ACN+2H"	125.094202
"1706971"	462.173385	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+NH4+CF3COOH"	132.026685
"1644808"	467.12878	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+Na+CF3COOH"	136.98208
"1582645"	483.10272	"C11867"	"Gibberellin A7"	"C19H22O5"	"330.1467"	"M+K+CF3COOH"	152.95602
"803168"	348.1573	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M"	0
"977799"	329.13891	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-H2O-H"	-19.01839
"68229"	231.097590666667	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M-3H"	-3.021828
"509981"	347.150024	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M-3H"	-3.021828
"885594"	115.045157333333	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-3H"	-3.021828
"6360"	347.150024	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M-2H"	-2.014552
"452480"	521.228674	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M-2H"	-2.014552
"820804"	173.071374	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-2H"	-2.014552
"84807"	695.307324	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M-H"	-1.007276
"523273"	1043.464624	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M-H"	-1.007276
"901074"	347.150024	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-H"	-1.007276
"53262"	712.333871	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M-2H+NH4"	16.019271
"491729"	1060.491171	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M-2H+NH4"	16.019271
"871721"	364.176571	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-2H+NH4"	16.019271
"40715"	717.289266	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M-2H+Na"	20.974666
"481371"	1065.446566	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M-2H+Na"	20.974666
"862089"	369.131966	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-2H+Na"	20.974666
"1629803"	369.131966	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Na-2H"	20.974666
"108153"	365.138363	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M-H+Cl"	33.962126
"548080"	539.217013	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M-H+Cl"	33.962126
"932845"	191.059713	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-H+Cl"	33.962126
"281976"	731.284002	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+Cl"	34.969402
"674277"	1079.441302	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+Cl"	34.969402
"1282790"	383.126702	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Cl"	34.969402
"26438"	733.263206	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M-2H+K"	36.948606
"468186"	1081.420506	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M-2H+K"	36.948606
"841615"	385.105906	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-2H+K"	36.948606
"1559636"	385.105906	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+K-2H"	36.948606
"948612"	393.155494	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-H+HCOOH"	44.998194
"366828"	741.312801	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+HCOOH-H"	44.998201
"352899"	755.328451	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+Hac-H"	59.013851
"1496266"	407.171151	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Hac-H"	59.013851
"965998"	415.137451	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-H+NaCOOH"	66.980151
"113812"	383.126702	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+2Cl"	69.938804
"556650"	557.205352	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+2Cl"	69.938804
"1022773"	209.048052	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2Cl"	69.938804
"1243935"	427.076185	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Br"	78.918885
"1309663"	429.132172	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Cl+HCOOH"	80.974872
"1330442"	451.114129	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Cl+NaCOOH"	102.956829
"914940"	461.142886	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M-H+CF3COOH"	112.985586
"1294929"	497.119564	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Cl+CF3COOH"	148.962264
"1376376"	313.144624	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H-2H2O"	-35.012676
"1391684"	331.1546	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H-H2O"	-17.0027
"292462"	697.321876	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+H"	1.007276
"684889"	1045.479176	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+H"	1.007276
"1359049"	349.164576	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H"	1.007276
"131941"	349.164576	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+2H"	2.014552
"571501"	523.243226	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+2H"	2.014552
"1046860"	175.085926	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2H"	2.014552
"208201"	233.112142666667	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+3H"	3.021828
"645576"	349.164576	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+3H"	3.021828
"1166253"	117.059709333333	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+3H"	3.021828
"424783"	714.348423	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+NH4"	18.033823
"789426"	1062.505723	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+NH4"	18.033823
"1682717"	366.191123	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+NH4"	18.033823
"332575"	357.6778495	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+H+NH4"	19.041099
"723450"	531.7564995	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+H+NH4"	19.041099
"1481370"	183.5991995	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H+NH4"	19.041099
"399689"	719.303818	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+Na"	22.989218
"767245"	1067.461118	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+Na"	22.989218
"1606595"	371.146518	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Na"	22.989218
"325383"	360.155547	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+H+Na"	23.996494
"719636"	534.234197	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+H+Na"	23.996494
"1473819"	186.076897	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H+Na"	23.996494
"1063784"	124.387023333333	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2H+Na"	25.00377
"1270565"	381.190786	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+CH3OH+H"	33.033486
"389876"	735.277758	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+K"	38.963158
"753706"	1083.435058	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+K"	38.963158
"1554378"	387.120458	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+K"	38.963158
"308635"	368.142517	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+H+K"	39.970434
"705068"	542.221167	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+H+K"	39.970434
"1460346"	194.063867	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H+K"	39.970434
"245665"	738.348426	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+ACN+H"	42.033826
"1221293"	390.191126	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+ACN+H"	42.033826
"1209310"	195.599201	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+ACN+2H"	43.041102
"197319"	741.28576	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+2Na-H"	44.97116
"638701"	1089.44306	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+2Na-H"	44.97116
"1137104"	393.12846	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2Na-H"	44.97116
"185132"	371.146518	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+2Na"	45.978436
"623600"	545.225168	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+2Na"	45.978436
"1128199"	197.067868	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2Na"	45.978436
"1411359"	131.714337333333	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H+2Na"	46.985712
"1439099"	395.170046	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H+HCOOH"	47.012746
"227701"	376.17954	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+3H2O+2H"	56.04448
"1511391"	409.22209	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+IsoProp+H"	61.06479
"417643"	379.133488	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+Na+K"	61.952376
"780827"	553.212138	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+Na+K"	61.952376
"1679352"	205.054838	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Na+K"	61.952376
"265512"	760.330368	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+ACN+Na"	64.015768
"1238585"	412.173068	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+ACN+Na"	64.015768
"1725645"	412.196593	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+NH4+HCOOH"	64.039293
"1188451"	139.041651333333	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+3Na"	68.967654
"1658340"	417.151988	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Na+HCOOH"	68.994688
"167024"	773.23364	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+2K-H"	76.91904
"605853"	1121.39094	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+2K-H"	76.91904
"1094376"	425.07634	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2K-H"	76.91904
"151192"	387.120458	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"2M+2K"	77.926316
"588929"	561.199108	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"3M+2K"	77.926316
"1075628"	213.041808	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2K"	77.926316
"1107744"	427.090892	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2K+H"	78.933592
"1346315"	427.178507	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+DMSO+H"	79.021207
"1007554"	431.217676	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2ACN+H"	83.060376
"1526411"	432.211308	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+IsoProp+Na+H"	84.054008
"993955"	216.112476	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+2ACN+2H"	84.067652
"1589550"	433.125928	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+K+HCOOH"	84.968628
"1417395"	463.157438	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+H+CF3COOH"	115.000138
"1149871"	236.625751	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+3ACN+2H"	125.094202
"1704891"	480.183985	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+NH4+CF3COOH"	132.026685
"1641638"	485.13938	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+Na+CF3COOH"	136.98208
"1582755"	501.11332	"C11868"	"Gibberellin A34"	"C19H24O6"	"348.1573"	"M+K+CF3COOH"	152.95602
"813120"	346.1416	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M"	0
"982284"	327.12321	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-H2O-H"	-19.01839
"70527"	229.753790666667	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M-3H"	-3.021828
"510089"	345.134324	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M-3H"	-3.021828
"890081"	114.373257333333	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-3H"	-3.021828
"3552"	345.134324	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M-2H"	-2.014552
"443476"	518.205124	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M-2H"	-2.014552
"819091"	172.063524	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-2H"	-2.014552
"84550"	691.275924	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M-H"	-1.007276
"522290"	1037.417524	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M-H"	-1.007276
"904466"	345.134324	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-H"	-1.007276
"51187"	708.302471	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M-2H+NH4"	16.019271
"494029"	1054.444071	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M-2H+NH4"	16.019271
"871831"	362.160871	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-2H+NH4"	16.019271
"39732"	713.257866	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M-2H+Na"	20.974666
"485856"	1059.399466	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M-2H+Na"	20.974666
"863294"	367.116266	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-2H+Na"	20.974666
"1632100"	367.116266	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Na-2H"	20.974666
"107535"	363.122663	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M-H+Cl"	33.962126
"547096"	536.193463	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M-H+Cl"	33.962126
"935142"	190.051863	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-H+Cl"	33.962126
"273697"	727.252602	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+Cl"	34.969402
"673044"	1073.394202	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+Cl"	34.969402
"1286179"	381.111002	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Cl"	34.969402
"25459"	729.231806	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M-2H+K"	36.948606
"462833"	1075.373406	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M-2H+K"	36.948606
"839538"	383.090206	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-2H+K"	36.948606
"1556830"	383.090206	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+K-2H"	36.948606
"944348"	391.139794	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-H+HCOOH"	44.998194
"365845"	737.281401	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+HCOOH-H"	44.998201
"353010"	751.297051	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+Hac-H"	59.013851
"1498562"	405.155451	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Hac-H"	59.013851
"963918"	413.121751	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-H+NaCOOH"	66.980151
"115015"	381.111002	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+2Cl"	69.938804
"555667"	554.181802	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+2Cl"	69.938804
"1021913"	208.040202	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2Cl"	69.938804
"1244045"	425.060485	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Br"	78.918885
"1308681"	427.116472	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Cl+HCOOH"	80.974872
"1330552"	449.098429	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Cl+NaCOOH"	102.956829
"917237"	459.127186	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M-H+CF3COOH"	112.985586
"1297227"	495.103864	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Cl+CF3COOH"	148.962264
"1374299"	311.128924	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H-2H2O"	-35.012676
"1391794"	329.1389	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H-H2O"	-17.0027
"290390"	693.290476	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+H"	1.007276
"689373"	1039.432076	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+H"	1.007276
"1362442"	347.148876	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H"	1.007276
"134238"	347.148876	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+2H"	2.014552
"569785"	520.219676	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+2H"	2.014552
"1043691"	174.078076	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2H"	2.014552
"213777"	231.768342666667	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+3H"	3.021828
"646050"	347.148876	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+3H"	3.021828
"1163807"	116.387809333333	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+3H"	3.021828
"427450"	710.317023	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+NH4"	18.033823
"789901"	1056.458623	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+NH4"	18.033823
"1682219"	364.175423	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+NH4"	18.033823
"332689"	355.6621495	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+H+NH4"	19.041099
"725470"	528.7329495	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+H+NH4"	19.041099
"1478561"	182.5913495	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H+NH4"	19.041099
"396517"	715.272418	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+Na"	22.989218
"758607"	1061.414018	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+Na"	22.989218
"1609988"	369.130818	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Na"	22.989218
"328657"	358.139847	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+H+Na"	23.996494
"720107"	531.210647	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+H+Na"	23.996494
"1475387"	185.069047	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H+Na"	23.996494
"1067992"	123.715123333333	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2H+Na"	25.00377
"1271654"	379.175086	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+CH3OH+H"	33.033486
"389614"	731.246358	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+K"	38.963158
"753168"	1077.387958	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+K"	38.963158
"1552664"	385.104758	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+K"	38.963158
"304370"	366.126817	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+H+K"	39.970434
"706724"	539.197617	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+H+K"	39.970434
"1459363"	193.056017	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H+K"	39.970434
"249059"	734.317026	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+ACN+H"	42.033826
"1224565"	388.175426	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+ACN+H"	42.033826
"1200185"	194.591351	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+ACN+2H"	43.041102
"192325"	737.25436	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+2Na-H"	44.97116
"632616"	1083.39596	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+2Na-H"	44.97116
"1137214"	391.11276	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2Na-H"	44.97116
"176495"	369.130818	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+2Na"	45.978436
"617149"	542.201618	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+2Na"	45.978436
"1123570"	196.060018	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2Na"	45.978436
"1411469"	131.042437333333	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H+2Na"	46.985712
"1437023"	393.154346	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H+HCOOH"	47.012746
"227814"	374.16384	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+3H2O+2H"	56.04448
"1514784"	407.20639	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+IsoProp+H"	61.06479
"419942"	377.117788	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+Na+K"	61.952376
"784228"	550.188588	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+Na+K"	61.952376
"1678736"	204.046988	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Na+K"	61.952376
"265986"	756.298968	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+ACN+Na"	64.015768
"1239060"	410.157368	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+ACN+Na"	64.015768
"1723935"	410.180893	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+NH4+HCOOH"	64.039293
"1191111"	138.369751333333	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+3Na"	68.967654
"1660637"	415.136288	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Na+HCOOH"	68.994688
"169321"	769.20224	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+2K-H"	76.91904
"607058"	1115.34384	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+2K-H"	76.91904
"1097402"	423.06064	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2K-H"	76.91904
"151667"	385.104758	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"2M+2K"	77.926316
"587948"	558.175558	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"3M+2K"	77.926316
"1075740"	212.033958	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2K"	77.926316
"1107854"	425.075192	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2K+H"	78.933592
"1339867"	425.162807	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+DMSO+H"	79.021207
"1009488"	429.201976	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2ACN+H"	83.060376
"1528709"	430.195608	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+IsoProp+Na+H"	84.054008
"994065"	215.104626	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+2ACN+2H"	84.067652
"1587468"	431.110228	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+K+HCOOH"	84.968628
"1415925"	461.141738	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+H+CF3COOH"	115.000138
"1148887"	235.617901	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+3ACN+2H"	125.094202
"1705001"	478.168285	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+NH4+CF3COOH"	132.026685
"1645027"	483.12368	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+Na+CF3COOH"	136.98208
"1582865"	499.09762	"C11869"	"Gibberellin A34-catabolite"	"C19H22O6"	"346.1416"	"M+K+CF3COOH"	152.95602
"813230"	362.1366	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M"	0
"988952"	343.11821	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-H2O-H"	-19.01839
"70637"	240.417124	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M-3H"	-3.021828
"510200"	361.129324	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M-3H"	-3.021828
"884724"	119.704924	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-3H"	-3.021828
"3299"	361.129324	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M-2H"	-2.014552
"441034"	542.197624	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M-2H"	-2.014552
"818472"	180.061024	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-2H"	-2.014552
"80652"	723.265924	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M-H"	-1.007276
"521308"	1085.402524	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M-H"	-1.007276
"907130"	361.129324	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-H"	-1.007276
"58589"	740.292471	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M-2H+NH4"	16.019271
"497056"	1102.429071	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M-2H+NH4"	16.019271
"871941"	378.155871	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-2H+NH4"	16.019271
"38750"	745.247866	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M-2H+Na"	20.974666
"486331"	1107.384466	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M-2H+Na"	20.974666
"862313"	383.111266	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-2H+Na"	20.974666
"1628929"	383.111266	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Na-2H"	20.974666
"105458"	379.117663	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M-H+Cl"	33.962126
"546113"	560.185963	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M-H+Cl"	33.962126
"934158"	198.049363	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-H+Cl"	33.962126
"274902"	759.242602	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+Cl"	34.969402
"670604"	1121.379202	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+Cl"	34.969402
"1281918"	397.106002	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Cl"	34.969402
"21197"	761.221806	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M-2H+K"	36.948606
"462940"	1123.358406	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M-2H+K"	36.948606
"836369"	399.085206	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-2H+K"	36.948606
"1556576"	399.085206	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+K-2H"	36.948606
"948834"	407.134794	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-H+HCOOH"	44.998194
"368144"	769.271401	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+HCOOH-H"	44.998201
"353120"	783.287051	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+Hac-H"	59.013851
"1498672"	421.150451	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Hac-H"	59.013851
"962936"	429.116751	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-H+NaCOOH"	66.980151
"111842"	397.106002	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+2Cl"	69.938804
"552859"	578.174302	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+2Cl"	69.938804
"1023484"	216.037702	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2Cl"	69.938804
"1241600"	441.055485	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Br"	78.918885
"1309887"	443.111472	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Cl+HCOOH"	80.974872
"1327384"	465.093429	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Cl+NaCOOH"	102.956829
"920629"	475.122186	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M-H+CF3COOH"	112.985586
"1300619"	511.098864	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Cl+CF3COOH"	148.962264
"1371129"	327.123924	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H-2H2O"	-35.012676
"1391904"	345.1339	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H-H2O"	-17.0027
"289407"	725.280476	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+H"	1.007276
"686203"	1087.417076	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+H"	1.007276
"1357084"	363.143876	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H"	1.007276
"134347"	363.143876	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+2H"	2.014552
"567345"	544.212176	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+2H"	2.014552
"1048176"	182.075576	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2H"	2.014552
"210609"	242.431676	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+3H"	3.021828
"644497"	363.143876	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+3H"	3.021828
"1166109"	121.719476	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+3H"	3.021828
"426467"	742.307023	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+NH4"	18.033823
"788555"	1104.443623	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+NH4"	18.033823
"1682697"	380.170423	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+NH4"	18.033823
"336083"	371.6571495	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+H+NH4"	19.041099
"725223"	552.7254495	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+H+NH4"	19.041099
"1484511"	190.5888495	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H+NH4"	19.041099
"402097"	747.262418	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+Na"	22.989218
"764185"	1109.399018	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+Na"	22.989218
"1615569"	385.125818	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Na"	22.989218
"327676"	374.134847	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+H+Na"	23.996494
"718763"	555.203147	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+H+Na"	23.996494
"1472947"	193.066547	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H+Na"	23.996494
"1067290"	129.04679	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2H+Na"	25.00377
"1272501"	395.170086	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+CH3OH+H"	33.033486
"389363"	763.236358	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+K"	38.963158
"753277"	1125.372958	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+K"	38.963158
"1554112"	401.099758	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+K"	38.963158
"309221"	382.121817	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+H+K"	39.970434
"706876"	563.190117	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+H+K"	39.970434
"1459109"	201.053517	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H+K"	39.970434
"249171"	766.307026	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+ACN+H"	42.033826
"1220785"	404.170426	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+ACN+H"	42.033826
"1199200"	202.588851	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+ACN+2H"	43.041102
"190978"	769.24436	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+2Na-H"	44.97116
"632726"	1131.38096	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+2Na-H"	44.97116
"1134044"	407.10776	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2Na-H"	44.97116
"179521"	385.125818	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+2Na"	45.978436
"615802"	566.194118	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+2Na"	45.978436
"1123681"	204.057518	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2Na"	45.978436
"1412307"	136.374104	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H+2Na"	46.985712
"1436041"	409.149346	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H+HCOOH"	47.012746
"225739"	390.15884	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+3H2O+2H"	56.04448
"1520365"	423.20139	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+IsoProp+H"	61.06479
"418959"	393.112788	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+Na+K"	61.952376
"785066"	574.181088	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+Na+K"	61.952376
"1678481"	212.044488	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Na+K"	61.952376
"263908"	788.288968	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+ACN+Na"	64.015768
"1237709"	426.152368	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+ACN+Na"	64.015768
"1726231"	426.175893	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+NH4+HCOOH"	64.039293
"1190493"	143.701418	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+3Na"	68.967654
"1660747"	431.131288	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Na+HCOOH"	68.994688
"169066"	801.19224	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+2K-H"	76.91904
"608261"	1163.32884	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+2K-H"	76.91904
"1096419"	439.05564	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2K-H"	76.91904
"149589"	401.099758	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"2M+2K"	77.926316
"588058"	582.168058	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"3M+2K"	77.926316
"1075850"	220.031458	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2K"	77.926316
"1110151"	441.070192	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2K+H"	78.933592
"1337789"	441.157807	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+DMSO+H"	79.021207
"1006802"	445.196976	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2ACN+H"	83.060376
"1528817"	446.190608	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+IsoProp+Na+H"	84.054008
"993081"	223.102126	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+2ACN+2H"	84.067652
"1587578"	447.105228	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+K+HCOOH"	84.968628
"1416522"	477.136738	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+H+CF3COOH"	115.000138
"1150090"	243.615401	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+3ACN+2H"	125.094202
"1705111"	494.163285	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+NH4+CF3COOH"	132.026685
"1645137"	499.11868	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+Na+CF3COOH"	136.98208
"1582975"	515.09262	"C11870"	"Gibberellin A8-catabolite"	"C19H22O7"	"362.1366"	"M+K+CF3COOH"	152.95602
"813340"	330.1467	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M"	0
"988822"	311.12831	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-H2O-H"	-19.01839
"76821"	219.090524	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M-3H"	-3.021828
"511403"	329.139424	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M-3H"	-3.021828
"888114"	109.041624	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-3H"	-3.021828
"8877"	329.139424	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M-2H"	-2.014552
"449531"	494.212774	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M-2H"	-2.014552
"824051"	164.066074	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-2H"	-2.014552
"87322"	659.286124	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M-H"	-1.007276
"533330"	989.432824	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M-H"	-1.007276
"908698"	329.139424	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-H"	-1.007276
"62352"	676.312671	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M-2H+NH4"	16.019271
"502641"	1006.459371	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M-2H+NH4"	16.019271
"876307"	346.165971	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-2H+NH4"	16.019271
"45792"	681.268066	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M-2H+Na"	20.974666
"486454"	1011.414766	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M-2H+Na"	20.974666
"863407"	351.121366	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-2H+Na"	20.974666
"1633299"	351.121366	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Na-2H"	20.974666
"109221"	347.127763	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M-H+Cl"	33.962126
"548661"	512.201113	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M-H+Cl"	33.962126
"942052"	182.054413	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-H+Cl"	33.962126
"281090"	695.262802	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+Cl"	34.969402
"673999"	1025.409502	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+Cl"	34.969402
"1280936"	365.116102	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Cl"	34.969402
"24588"	697.242006	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M-2H+K"	36.948606
"467426"	1027.388706	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M-2H+K"	36.948606
"837574"	367.095306	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-2H+K"	36.948606
"1563251"	367.095306	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+K-2H"	36.948606
"951135"	375.144894	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-H+HCOOH"	44.998194
"366071"	705.291601	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+HCOOH-H"	44.998201
"352141"	719.307251	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+Hac-H"	59.013851
"1499879"	389.160551	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Hac-H"	59.013851
"966326"	397.126851	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-H+NaCOOH"	66.980151
"111955"	365.116102	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+2Cl"	69.938804
"559170"	530.189452	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+2Cl"	69.938804
"1031250"	200.042752	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2Cl"	69.938804
"1245361"	409.065585	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Br"	78.918885
"1312185"	411.121572	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Cl+HCOOH"	80.974872
"1330776"	433.103529	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Cl+NaCOOH"	102.956829
"920741"	443.132286	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M-H+CF3COOH"	112.985586
"1295263"	479.108964	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Cl+CF3COOH"	148.962264
"1372330"	295.134024	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H-2H2O"	-35.012676
"1390919"	313.144	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H-H2O"	-17.0027
"291703"	661.300676	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+H"	1.007276
"681938"	991.447376	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+H"	1.007276
"1357194"	331.153976	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H"	1.007276
"127895"	331.153976	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+2H"	2.014552
"570736"	496.227326	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+2H"	2.014552
"1042815"	166.080626	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2H"	2.014552
"210719"	221.105076	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+3H"	3.021828
"652470"	331.153976	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+3H"	3.021828
"1168406"	111.056176	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+3H"	3.021828
"432777"	678.327223	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+NH4"	18.033823
"790491"	1008.473923	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+NH4"	18.033823
"1684632"	348.180523	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+NH4"	18.033823
"344579"	339.6672495	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+H+NH4"	19.041099
"732990"	504.7405995	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+H+NH4"	19.041099
"1487903"	174.5938995	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H+NH4"	19.041099
"402208"	683.282618	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+Na"	22.989218
"764295"	1013.429318	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+Na"	22.989218
"1616410"	353.135918	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Na"	22.989218
"327908"	342.144947	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+H+Na"	23.996494
"717782"	507.218297	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+H+Na"	23.996494
"1472692"	177.071597	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H+Na"	23.996494
"1068014"	118.38349	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2H+Na"	25.00377
"1272613"	363.180186	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+CH3OH+H"	33.033486
"391663"	699.256558	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+K"	38.963158
"753999"	1029.403258	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+K"	38.963158
"1555202"	369.109858	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+K"	38.963158
"313101"	350.131917	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+H+K"	39.970434
"706910"	515.205267	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+H+K"	39.970434
"1459467"	185.058567	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H+K"	39.970434
"249648"	702.327226	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+ACN+H"	42.033826
"1216520"	372.180526	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+ACN+H"	42.033826
"1201498"	186.593901	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+ACN+2H"	43.041102
"193277"	705.26456	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+2Na-H"	44.97116
"630404"	1035.41126	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+2Na-H"	44.97116
"1138530"	375.11786	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2Na-H"	44.97116
"181821"	353.135918	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+2Na"	45.978436
"622474"	518.209268	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+2Na"	45.978436
"1121605"	188.062568	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2Na"	45.978436
"1406222"	125.710804	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H+2Na"	46.985712
"1440527"	377.159446	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H+HCOOH"	47.012746
"232776"	358.16894	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+3H2O+2H"	56.04448
"1520844"	391.21149	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+IsoProp+H"	61.06479
"420897"	361.122888	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+Na+K"	61.952376
"781898"	526.196238	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+Na+K"	61.952376
"1674217"	196.049538	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Na+K"	61.952376
"263651"	724.309168	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+ACN+Na"	64.015768
"1237820"	394.162468	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+ACN+Na"	64.015768
"1726344"	394.185993	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+NH4+HCOOH"	64.039293
"1190239"	133.038118	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+3Na"	68.967654
"1661588"	399.141388	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Na+HCOOH"	68.994688
"167721"	737.21244	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+2K-H"	76.91904
"610561"	1067.35914	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+2K-H"	76.91904
"1096532"	407.06574	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2K-H"	76.91904
"152256"	369.109858	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"2M+2K"	77.926316
"592178"	534.183208	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"3M+2K"	77.926316
"1081063"	204.036508	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2K"	77.926316
"1110992"	409.080292	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2K+H"	78.933592
"1343733"	409.167907	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+DMSO+H"	79.021207
"1010803"	413.207076	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2ACN+H"	83.060376
"1531116"	414.200708	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+IsoProp+Na+H"	84.054008
"994286"	207.107176	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+2ACN+2H"	84.067652
"1588789"	415.115328	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+K+HCOOH"	84.968628
"1417728"	445.146838	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+H+CF3COOH"	115.000138
"1153485"	227.620451	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+3ACN+2H"	125.094202
"1707410"	462.173385	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+NH4+CF3COOH"	132.026685
"1645249"	467.12878	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+Na+CF3COOH"	136.98208
"1583085"	483.10272	"C11871"	"Gibberellin A5"	"C19H22O5"	"330.1467"	"M+K+CF3COOH"	152.95602
"803972"	288.2453	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M"	0
"986982"	269.22691	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"75227"	191.156257333333	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"506045"	287.238024	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"886034"	95.0744906666666	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"3519"	287.238024	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"444171"	431.360674	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"825255"	143.115374	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"89621"	575.483324	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"530275"	863.728624	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"908808"	287.238024	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"61494"	592.509871	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"501418"	880.755171	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"876538"	304.264571	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"45296"	597.465266	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"486887"	885.710566	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"863758"	309.219966	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1632924"	309.219966	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"108236"	305.226363	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"548042"	449.349013	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"940947"	161.103713	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"280957"	611.460002	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"674108"	899.705302	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1279953"	323.214702	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"24698"	613.439206	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"465349"	901.684506	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"837684"	325.193906	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1557892"	325.193906	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"951245"	333.243494	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"363993"	621.488801	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"350062"	635.504451	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1503269"	347.259151	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"966436"	355.225451	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"115346"	323.214702	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"552718"	467.337352	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1028080"	179.092052	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1245471"	367.164185	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1309015"	369.220172	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1325419"	391.202129	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"917571"	401.230886	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1291726"	437.207564	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1370981"	253.232624	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1391029"	271.2426	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"288532"	577.497876	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"678766"	865.743176	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1355115"	289.252576	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"129460"	289.252576	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"571937"	433.375226	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1041102"	145.129926	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"210829"	193.170809333333	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"650392"	289.252576	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1164505"	97.0890426666667	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"426317"	594.524423	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"789505"	882.769723	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1685835"	306.279123	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"335207"	297.7658495	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"733100"	441.8884995	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1488013"	153.6431995	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"399038"	599.479818	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"763312"	887.725118	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1616156"	311.234518	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"325825"	300.243547	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"720079"	444.366197	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1475234"	156.120897	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1067636"	104.416356666667	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1271988"	321.278786	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"391773"	615.453758	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"753992"	903.699058	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1555190"	327.208458	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"312725"	308.230517	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"706493"	452.353167	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1459334"	164.107867	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"249758"	618.524426	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1216630"	330.279126	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1199422"	165.643201	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"193387"	621.46176	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"630030"	909.70706	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1138640"	333.21646	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"179744"	311.234518	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"619304"	455.357168	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1121715"	167.111868	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1406332"	111.743670666667	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1440637"	335.258046	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"232886"	316.26754	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1521319"	349.31009	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"421007"	319.221488	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"782373"	463.344138	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1678338"	175.098838	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"263764"	640.506368	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1237931"	352.261068	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1727549"	352.284593	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1189984"	119.070984666667	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1661698"	357.239988	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"167101"	653.40964	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"609577"	941.65494	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1096277"	365.16434	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"153459"	327.208458	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"593381"	471.331108	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1081172"	183.085808	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1110007"	367.178892	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1341291"	367.266507	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1012006"	371.305676	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1533412"	372.299308	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"993302"	186.156476	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1589992"	373.213928	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1418931"	403.245438	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1153595"	206.669751	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1707520"	420.271985	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1645359"	425.22738	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1583195"	441.20132	"C11872"	"Kaur-16-en-18-ol;(-)-Kaur-16-en-18-ol;Kaurenol;ent-Kaur-16-en-19-ol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"810278"	286.2297	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M"	0
"989158"	267.21131	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"77040"	189.812524	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"510529"	285.222424	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"885051"	94.402624	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"2900"	285.222424	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"441487"	428.337274	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"827552"	142.107574	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"80983"	571.452124	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"533302"	857.681824	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"907824"	285.222424	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"62212"	588.478671	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"502417"	874.708371	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"879089"	302.248971	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"46463"	593.434066	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"486682"	879.663766	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"863509"	307.204366	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1633609"	307.204366	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"109325"	303.210763	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"549245"	446.325613	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"942151"	160.095913	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"282285"	607.428802	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"675397"	893.658502	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1287595"	321.199102	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"28088"	609.408006	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"469470"	895.637706	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"844354"	323.178306	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1559095"	323.178306	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"952449"	331.227894	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"367383"	617.457601	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"351265"	631.473251	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1496818"	345.243551	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"966546"	353.209851	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"118733"	321.199102	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"556108"	464.313952	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1028190"	178.084252	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1248861"	365.148585	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1313501"	367.204572	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1330997"	389.186529	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"918775"	399.215286	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1292566"	435.191964	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1375831"	251.217024	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1388952"	269.227	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"288642"	573.466676	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"682156"	859.696376	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1353766"	287.236976	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H"	1.007276
"128110"	287.236976	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"569129"	430.351826	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1040846"	144.122126	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"210940"	191.827076	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"650503"	287.236976	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1164978"	96.417176	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"426792"	590.493223	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"791801"	876.722923	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1684485"	304.263523	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"336411"	295.7502495	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"733210"	438.8650995	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1488123"	152.6353995	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"400241"	595.448618	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"760141"	881.678318	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1611523"	309.218918	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"322652"	298.227947	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"721770"	441.342797	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1476518"	155.113097	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1068153"	103.74449	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1272220"	319.263186	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"392244"	611.422558	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"754132"	897.652258	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1555344"	325.192858	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+K"	38.963158
"313563"	306.214917	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"706763"	449.329767	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1459444"	163.100067	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"249138"	614.493226	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1223909"	328.263526	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1199532"	164.635401	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"196778"	617.43056	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"630501"	903.66026	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1135468"	331.20086	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"175478"	309.218918	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"620506"	452.333768	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1122918"	166.104068	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1404254"	111.071804	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1440747"	333.242446	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"234456"	314.25194	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1521429"	347.29449	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"422212"	317.205888	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"784674"	460.320738	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1680276"	174.091038	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"264972"	636.475168	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1238774"	350.245468	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1727540"	350.268993	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1193501"	118.399118	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1664122"	355.224388	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"171709"	649.37844	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"611878"	935.60814	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1096752"	363.14874	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"156366"	325.192858	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"593491"	468.307708	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1082013"	182.078008	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1113400"	365.163292	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1344681"	365.250907	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1012117"	369.290076	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1534616"	370.283708	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"995599"	185.148676	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1589737"	371.198328	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1419040"	401.229838	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1156985"	205.661951	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1709817"	418.256385	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1645469"	423.21178	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1583305"	439.18572	"C11873"	"Kaur-16-en-18-al;(-)-Kaur-16-en-18-al;4alpha-Kaur-16-en-18-al;Kaurenal;ent-Kaurenal;ent-Kaur-16-en-19-al"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"803828"	302.2246	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M"	0
"983922"	283.20621	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"75446"	200.475790666667	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"510639"	301.217324	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"886254"	99.7342573333333	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"2645"	301.217324	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"443298"	452.329624	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"826569"	150.105024	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"81093"	603.441924	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"525027"	905.666524	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"908298"	301.217324	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"62440"	620.468471	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"502480"	922.693071	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"879562"	318.243871	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"46813"	625.423866	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"486913"	927.648466	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"864027"	323.199266	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1634135"	323.199266	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"109954"	319.205663	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"549476"	470.317963	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"941161"	168.093363	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"282273"	639.418602	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"675303"	941.643202	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1286369"	337.194002	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"26012"	641.397806	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"465570"	943.622406	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"840091"	339.173206	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1558112"	339.173206	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"952559"	347.222794	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"367493"	649.447401	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"351375"	663.463051	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1496928"	361.238451	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"966656"	369.204751	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"115563"	337.194002	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"556218"	488.306302	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1022828"	186.081702	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1248971"	381.143485	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1312515"	383.199472	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1331105"	405.181429	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"921072"	415.210186	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1292312"	451.186864	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1375941"	267.211924	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1386875"	285.2219	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"288752"	605.456476	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"682266"	907.681076	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1354604"	303.231876	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"129316"	303.231876	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"571063"	454.344176	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1040592"	152.119576	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"207763"	202.490342666667	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"647323"	303.231876	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1172009"	101.748809333333	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"426901"	622.483023	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"791911"	924.707623	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1684595"	320.258423	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"337614"	311.7451495	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"733320"	462.8574495	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1486046"	160.6328495	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"399255"	627.438418	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"756967"	929.663018	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1603975"	325.213818	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"323855"	314.222847	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"721394"	465.335147	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1476954"	163.110547	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1068384"	109.076123333333	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1272412"	335.258086	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"392724"	643.412358	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"750066"	945.636958	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1552120"	341.187758	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"308202"	322.209817	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"706954"	473.322117	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1460283"	171.097517	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"249612"	646.483026	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1223411"	344.258426	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1200735"	172.632851	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"196888"	649.42036	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"630976"	951.64496	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1134486"	347.19576	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"175588"	325.213818	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"620616"	476.326118	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1121205"	174.101518	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1404364"	116.403437333333	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1437577"	349.237346	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"231646"	330.24684	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1522631"	363.28939	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"421591"	333.200788	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"783688"	484.313088	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1679292"	182.088488	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"264352"	668.464968	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1237789"	366.240368	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1727042"	366.263893	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1192394"	123.730751333333	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1663014"	371.219288	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"170966"	681.36824	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"611620"	983.59284	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1095769"	379.14364	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"154407"	341.187758	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"589590"	492.300058	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1079568"	190.075458	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1111684"	381.158192	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1341511"	381.245807	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1012227"	385.284976	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1534726"	386.278608	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"994616"	193.146126	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1592399"	387.193228	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1416964"	417.224738	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1157095"	213.659401	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1709927"	434.251285	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1645579"	439.20668	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1583415"	455.18062	"C11874"	"Kaur-16-en-18-oic acid;(-)-Kaur-16-en-19-oic acid;Kaurenic acid;Kaurenoic acid;ent-Kaur-16(17)-en-19-oic acid;ent-Kaurenoic acid;ent-Kaur-16-en-19-oic acid;ent-Kaur-16-en-19-oate"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"803938"	318.2195	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M"	0
"984032"	299.20111	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"75556"	211.139057333333	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"510749"	317.212224	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"885271"	105.065890666667	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"1662"	317.212224	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"442314"	476.321974	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"826679"	158.102474	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"83389"	635.431724	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"526230"	953.651224	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"908408"	317.212224	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"62646"	652.458271	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"501867"	970.677771	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"879919"	334.238771	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"47134"	657.413666	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"486943"	975.633166	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"863727"	339.194166	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1633995"	339.194166	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"109957"	335.200563	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"548490"	494.310313	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"941515"	176.090813	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"282683"	671.408402	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"675211"	989.627902	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1287814"	353.188902	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"25027"	673.387606	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"462400"	991.607106	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"842388"	355.168106	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1557493"	355.168106	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"954855"	363.217694	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"365416"	681.437201	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"352579"	695.452851	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1497038"	377.233351	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"966766"	385.199651	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"115673"	353.188902	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"556328"	512.298652	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1022939"	194.079152	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1249081"	397.138385	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1314812"	399.194372	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1331215"	421.176329	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"921183"	431.205086	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1291692"	467.181764	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1368760"	283.206824	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1386985"	301.2168	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"283756"	637.446276	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"679096"	955.665776	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1356537"	319.226776	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"127602"	319.226776	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"576639"	478.336526	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1041794"	160.117026	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"207873"	213.153609333333	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"647433"	319.226776	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1172119"	107.080442666667	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"426646"	654.472823	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"789469"	972.692323	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1684341"	336.253323	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"338817"	327.7400495	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"730150"	486.8497995	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1482876"	168.6302995	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"399365"	659.428218	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"757074"	977.647718	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1603113"	341.208718	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"319591"	330.217747	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"721989"	489.327497	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1476819"	171.107997	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1068428"	114.407756666667	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1272641"	351.252986	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"391005"	675.402158	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"750176"	993.621658	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1550044"	357.182658	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"308312"	338.204717	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"706570"	497.314467	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1460027"	179.094967	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"248628"	678.472826	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1223399"	360.253326	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1199750"	180.630301	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"189342"	681.41016	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"631088"	999.62966	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1140062"	363.19066	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"180072"	341.208718	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"617080"	500.318468	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1119128"	182.098968	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1403745"	121.735070666667	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1438780"	365.232246	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"232849"	346.24174	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1522377"	379.28429	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"420973"	349.195688	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"784527"	508.305438	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1680377"	190.085938	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"265193"	700.454768	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1238630"	382.235268	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1726787"	382.258793	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1192506"	129.062384666667	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1664218"	387.214188	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"172497"	713.35804	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"611733"	1031.57754	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1098794"	395.13854	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"154881"	357.182658	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"589700"	516.292408	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1079678"	198.072908	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1111794"	397.153092	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1344901"	397.240707	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1012337"	401.279876	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1534836"	402.273508	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"996912"	201.143576	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1594695"	403.188128	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1418167"	433.219638	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1157205"	221.656851	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1710037"	450.246185	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1645689"	455.20158	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1583525"	471.17552	"C11875"	"ent-7alpha-Hydroxykaur-16-en-19-oic acid;(-)-Kaur-16-en-7beta-ol-19-oic acid;ent-7alpha-Hydroxykaur-16-en-19-oate"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"805141"	334.2144	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M"	0
"983049"	315.19601	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"76760"	221.802324	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"514139"	333.207124	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"886474"	110.397524	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"1772"	333.207124	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"441331"	500.314324	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"826789"	166.099924	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"83499"	667.421524	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"523060"	1001.635924	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"908397"	333.207124	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"62295"	684.448071	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"501854"	1018.662471	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"879581"	350.233671	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"46598"	689.403466	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"486723"	1023.617866	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"863472"	355.189066	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1631783"	355.189066	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"108676"	351.195463	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"548966"	518.302663	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"941627"	184.088263	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"281646"	703.398202	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"674795"	1037.612602	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1287197"	369.183802	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"28417"	705.377406	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"462510"	1039.591806	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"843591"	371.163006	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1555792"	371.163006	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"948404"	379.212594	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"366619"	713.427001	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"348315"	727.442651	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1493379"	393.228251	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"966876"	401.194551	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"113596"	369.183802	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"553885"	536.291002	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1025235"	202.076602	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1245911"	413.133285	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1314922"	415.189272	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1331325"	437.171229	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"921293"	447.199986	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1291438"	483.176664	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1370692"	299.201724	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1387095"	317.2117	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"284595"	669.436076	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"679570"	1003.650476	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1356647"	335.221676	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"130630"	335.221676	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"574562"	502.328876	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1043361"	168.114476	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"208348"	223.816876	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"653010"	335.221676	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1174416"	112.412076	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"426756"	686.462623	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"790307"	1020.677023	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1684815"	352.248223	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"338927"	343.7349495	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"732446"	510.8421495	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1487358"	176.6277495	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"399475"	691.418018	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"756821"	1025.632418	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1605288"	357.203618	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"318607"	346.212647	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"720519"	513.319847	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1473971"	179.105447	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1066494"	119.73939	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1270846"	367.247886	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"391483"	707.391958	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"751381"	1041.606358	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1550153"	373.177558	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"311338"	354.199617	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"705589"	521.306817	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1456857"	187.092417	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"246916"	710.462626	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1222173"	376.248226	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1205326"	188.627751	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"193826"	713.39996	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"633386"	1047.61436	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1139078"	379.18556	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"177995"	357.203618	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"621929"	524.310818	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1121425"	190.096418	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1405678"	127.066704	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1439983"	381.227146	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"229679"	362.23664	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1522123"	395.27919	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"421449"	365.190588	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"784395"	532.297788	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1678778"	198.083388	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"266028"	732.444568	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1239586"	398.230168	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1727259"	398.253693	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1193706"	134.394018	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1665058"	403.209088	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"172283"	745.34784	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"611474"	1079.56224	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1098417"	411.13344	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"155234"	373.177558	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"588717"	540.284758	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1079424"	206.070358	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1106438"	413.147992	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1347198"	413.235607	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1009167"	417.274776	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1531666"	418.268408	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"997022"	209.141026	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1594805"	419.183028	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1418277"	449.214538	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1157315"	229.654301	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1710876"	466.241085	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1645799"	471.19648	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1583635"	487.17042	"C11876"	"6beta7beta-Dihydroxykaurenoic acid;ent-6alpha7alpha-Dihydroxykaur-16-en-19-oic acid"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"804158"	272.2504	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M"	0
"983159"	253.23201	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"76870"	180.492990666667	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"513157"	271.243124	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"892052"	89.7428573333333	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"1882"	271.243124	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"449096"	407.368324	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"827992"	135.117924	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"87983"	543.493524	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"527544"	815.743924	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"908507"	271.243124	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"62166"	560.520071	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"502451"	832.770471	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"879402"	288.269671	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"45854"	565.475466	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"485651"	837.725866	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"862361"	293.225066	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1632256"	293.225066	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"106963"	289.231463	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"545430"	425.356663	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"937115"	153.106263	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"277859"	579.470202	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"673198"	851.720602	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1286698"	307.219802	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"27070"	581.449406	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"462620"	853.699806	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"839327"	309.199006	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1555921"	309.199006	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"942838"	317.248594	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"364542"	589.499001	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"346479"	603.514651	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1494097"	331.264251	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960788"	339.230551	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"112246"	307.219802	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"553265"	443.345002	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1022059"	171.094602	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1246021"	351.169285	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1312845"	353.225272	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1328155"	375.207229	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"919215"	385.235986	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1293735"	421.212664	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1372989"	237.237724	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1387205"	255.2477	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"285069"	545.508076	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"678222"	817.758476	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1354570"	273.257676	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"130740"	273.257676	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"568474"	409.382876	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1041650"	137.132476	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"207729"	182.507542666667	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"650206"	273.257676	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1167965"	91.7574093333333	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"431604"	562.534623	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"790779"	834.785023	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1685651"	290.284223	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"339037"	281.7709495	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"733649"	417.8961495	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1488561"	145.6457495	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"399585"	567.490018	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"756203"	839.740418	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1605398"	295.239618	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"318717"	284.248647	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"720997"	420.373847	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1474080"	148.123447	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1067212"	99.0847233333333	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1271443"	305.283886	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"391716"	583.463958	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"752584"	855.714358	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1553187"	311.213558	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"312549"	292.235617	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"703876"	428.360817	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1459884"	156.110417	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"245566"	586.534626	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1222648"	314.284226	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1199971"	157.645751	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"191020"	589.47196	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"632403"	861.72236	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1134085"	317.22156	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"179199"	295.239618	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"622039"	431.364818	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1125545"	159.114418	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1405788"	106.412037333333	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1439001"	319.263146	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"226509"	300.27264	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1522236"	333.31519	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"421926"	303.226588	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"783289"	439.351788	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1678888"	167.101388	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"264678"	608.516568	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1238116"	336.266168	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1724085"	336.289693	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1193085"	113.739351333333	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1664435"	341.245088	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"171663"	621.41984	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"611219"	893.67024	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1098284"	349.16944	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"153642"	311.213558	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"592108"	447.338758	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1076619"	175.088358	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1108736"	351.183992	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1348401"	351.271607	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1013651"	355.310776	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1536150"	356.304408	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"994944"	178.159026	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1594915"	357.219028	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1419480"	387.250538	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1159614"	198.672301	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1708074"	404.277085	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1644816"	409.23248	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1583745"	425.20642	"C11877"	"()-Sandaracopimaradiene;ent-Sandaracopimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"804268"	272.2504	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M"	0
"982176"	253.23201	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"76980"	180.492990666667	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"513268"	271.243124	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"894959"	89.7428573333333	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"1992"	271.243124	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"444832"	407.368324	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"825915"	135.117924	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"87000"	543.493524	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"526561"	815.743924	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"908374"	271.243124	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"62762"	560.520071	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"502713"	832.770471	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"879854"	288.269671	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"46773"	565.475466	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"486657"	837.725866	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"863078"	293.225066	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1632246"	293.225066	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"108894"	289.231463	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"545542"	425.356663	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"937225"	153.106263	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"277969"	579.470202	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"673308"	851.720602	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1284985"	307.219802	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"28637"	581.449406	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"462730"	853.699806	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"840531"	309.199006	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1556116"	309.199006	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"943881"	317.248594	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"367932"	589.499001	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"346710"	603.514651	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1494450"	331.264251	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960898"	339.230551	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"111384"	307.219802	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"552281"	443.345002	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1021518"	171.094602	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1246131"	351.169285	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1316235"	353.225272	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1329358"	375.207229	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"919325"	385.235986	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1292751"	421.212664	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1372006"	237.237724	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1385128"	255.2477	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"285179"	545.508076	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"677237"	817.758476	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1352490"	273.257676	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H"	1.007276
"126472"	273.257676	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"566761"	409.382876	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1041395"	137.132476	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209297"	182.507542666667	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"647763"	273.257676	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1166981"	91.7574093333333	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"432078"	562.534623	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"792344"	834.785023	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1689770"	290.284223	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"339147"	281.7709495	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"730480"	417.8961495	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1485392"	145.6457495	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"399695"	567.490018	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"754729"	839.740418	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1603313"	295.239618	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"318827"	284.248647	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"721465"	420.373847	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1474918"	148.123447	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1065980"	99.0847233333333	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1272277"	305.283886	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"392430"	583.463958	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"752330"	855.714358	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1555240"	311.213558	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+K"	38.963158
"313752"	292.235617	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"706173"	428.360817	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1461173"	156.110417	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"245676"	586.534626	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1221664"	314.284226	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1198987"	157.645751	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"192952"	589.47196	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"634699"	861.72236	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1137109"	317.22156	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"179309"	295.239618	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"624336"	431.364818	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1125655"	159.114418	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1406991"	106.412037333333	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1436924"	319.263146	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"227712"	300.27264	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1523196"	333.31519	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"423128"	303.226588	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"784128"	439.351788	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1679727"	167.101388	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"266246"	608.516568	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1239684"	336.266168	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1726018"	336.289693	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1193925"	113.739351333333	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1664910"	341.245088	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"171774"	621.41984	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"611208"	893.67024	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1099002"	349.16944	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"153751"	311.213558	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"591124"	447.338758	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1075636"	175.088358	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1105566"	351.183992	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1344138"	351.271607	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1013761"	355.310776	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1536260"	356.304408	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"993961"	178.159026	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1593932"	357.219028	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1417404"	387.250538	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1159724"	198.672301	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1709277"	404.277085	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1644926"	409.23248	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1583855"	425.20642	"C11878"	"(-)-Abietadiene;Abietadiene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"813126"	272.2504	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M"	0
"988483"	253.23201	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"76969"	180.492990666667	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"514470"	271.243124	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"894462"	89.7428573333333	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"9757"	271.243124	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"451504"	407.368324	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"826025"	135.117924	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"91485"	543.493524	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"529951"	815.743924	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"908484"	271.243124	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"62723"	560.520071	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"502743"	832.770471	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"879920"	288.269671	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"46680"	565.475466	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"487040"	837.725866	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"862580"	293.225066	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1633207"	293.225066	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"109930"	289.231463	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"546017"	425.356663	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"941351"	153.106263	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"281362"	579.470202	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"675656"	851.720602	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1287282"	307.219802	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"28385"	581.449406	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"462842"	853.699806	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"840643"	309.199006	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1557570"	309.199006	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"945818"	317.248594	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"366949"	589.499001	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"346698"	603.514651	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1496383"	331.264251	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960157"	339.230551	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"114290"	307.219802	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"553485"	443.345002	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1025564"	171.094602	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1249521"	351.169285	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1316344"	353.225272	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1330562"	375.207229	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"914693"	385.235986	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1298330"	421.212664	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1374304"	237.237724	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1388519"	255.2477	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"290393"	545.508076	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"680628"	817.758476	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1355518"	273.257676	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"128772"	273.257676	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"569061"	409.382876	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1043692"	137.132476	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209407"	182.507542666667	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"649332"	273.257676	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1169280"	91.7574093333333	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"427446"	562.534623	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"792452"	834.785023	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1692065"	290.284223	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"335977"	281.7709495	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"732777"	417.8961495	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1487691"	145.6457495	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"405274"	567.490018	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"760800"	839.740418	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1604767"	295.239618	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"315166"	284.248647	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"719751"	420.373847	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1477008"	148.123447	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1066090"	99.0847233333333	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1272713"	305.283886	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"392799"	583.463958	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"753534"	855.714358	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1555570"	311.213558	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"314194"	292.235617	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"706897"	428.360817	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1461202"	156.110417	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"251012"	586.534626	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1221775"	314.284226	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1202379"	157.645751	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"194157"	589.47196	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"634810"	861.72236	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1137222"	317.22156	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"182699"	295.239618	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"627362"	431.364818	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1131286"	159.114418	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1407102"	106.412037333333	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1439222"	319.263146	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"228915"	300.27264	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1523717"	333.31519	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"423602"	303.226588	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"784480"	439.351788	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1678385"	167.101388	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"265390"	608.516568	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1239072"	336.266168	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1727834"	336.289693	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1193068"	113.739351333333	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1665495"	341.245088	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"172449"	621.41984	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"611690"	893.67024	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1099194"	349.16944	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"152768"	311.213558	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"592327"	447.338758	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1077932"	175.088358	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1107863"	351.183992	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1344249"	351.271607	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1011684"	355.310776	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1529809"	356.304408	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1004522"	178.159026	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1596229"	357.219028	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1419701"	387.250538	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1160927"	198.672301	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1711573"	404.277085	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1648316"	409.23248	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1583965"	425.20642	"C11879"	"Levopimaradiene;Abieta-8(14)12-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"807768"	272.2504	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M"	0
"985676"	253.23201	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"77569"	180.492990666667	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"511300"	271.243124	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"889101"	89.7428573333333	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"5493"	271.243124	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"453073"	407.368324	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"826135"	135.117924	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"88314"	543.493524	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"528968"	815.743924	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"905677"	271.243124	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"62740"	560.520071	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"502732"	832.770471	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"878762"	288.269671	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"46877"	565.475466	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"486925"	837.725866	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"863297"	293.225066	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1631129"	293.225066	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"109806"	289.231463	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"549040"	425.356663	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"941822"	153.106263	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"282201"	579.470202	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"674992"	851.720602	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1287150"	307.219802	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"26673"	581.449406	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"467327"	853.699806	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"846949"	309.199006	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1560960"	309.199006	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"944834"	317.248594	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"367059"	589.499001	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"348755"	603.514651	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1495764"	331.264251	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960146"	339.230551	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"113307"	307.219802	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"552502"	443.345002	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1025674"	171.094602	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1249631"	351.169285	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1316454"	353.225272	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1328485"	375.207229	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"913103"	385.235986	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1294065"	421.212664	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1372226"	237.237724	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1382756"	255.2477	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"285036"	545.508076	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"678915"	817.758476	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1353804"	273.257676	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H"	1.007276
"127059"	273.257676	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"566374"	409.382876	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1043802"	137.132476	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"206236"	182.507542666667	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"646162"	273.257676	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1166474"	91.7574093333333	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"425369"	562.534623	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"790375"	834.785023	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1688895"	290.284223	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"336087"	281.7709495	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"732886"	417.8961495	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1488892"	145.6457495	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"406112"	567.490018	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"759816"	839.740418	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1605849"	295.239618	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"315156"	284.248647	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"721684"	420.373847	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1476806"	148.123447	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1067294"	99.0847233333333	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1272261"	305.283886	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"392692"	583.463958	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"752550"	855.714358	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1555538"	311.213558	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+K"	38.963158
"314225"	292.235617	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"706397"	428.360817	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1460702"	156.110417	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"251042"	586.534626	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1222978"	314.284226	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1202489"	157.645751	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"196454"	589.47196	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"633827"	861.72236	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1136239"	317.22156	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"180622"	295.239618	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"627351"	431.364818	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1130735"	159.114418	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1406119"	106.412037333333	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1437144"	319.263146	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"227932"	300.27264	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1520373"	333.31519	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"421883"	303.226588	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"785570"	439.351788	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1679955"	167.101388	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"266110"	608.516568	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1241006"	336.266168	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1728317"	336.289693	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1193998"	113.739351333333	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1665521"	341.245088	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"172769"	621.41984	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"612698"	893.67024	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1099803"	349.16944	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"152878"	311.213558	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"592437"	447.338758	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1078042"	175.088358	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1107973"	351.183992	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1344359"	351.271607	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1012887"	355.310776	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1529919"	356.304408	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1000743"	178.159026	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1594152"	357.219028	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1417259"	387.250538	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1161766"	198.672301	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1710589"	404.277085	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1647334"	409.23248	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584075"	425.20642	"C11880"	"Neoabietadiene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"805691"	272.2504	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M"	0
"985785"	253.23201	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"77757"	180.492990666667	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"511410"	271.243124	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"889211"	89.7428573333333	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"4509"	271.243124	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"444068"	407.368324	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"819683"	135.117924	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"88424"	543.493524	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"526891"	815.743924	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"905787"	271.243124	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"56882"	560.520071	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"498630"	832.770471	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"879479"	288.269671	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"46284"	565.475466	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"486452"	837.725866	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"863895"	293.225066	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1633184"	293.225066	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"108984"	289.231463	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"549519"	425.356663	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"941934"	153.106263	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"281462"	579.470202	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"674129"	851.720602	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1285314"	307.219802	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"28964"	581.449406	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"459782"	853.699806	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"837583"	309.199006	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1564351"	309.199006	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"944580"	317.248594	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"364982"	589.499001	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"346678"	603.514651	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1496968"	331.264251	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960136"	339.230551	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"113417"	307.219802	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"552612"	443.345002	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1025784"	171.094602	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1254845"	351.169285	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1316564"	353.225272	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1331875"	375.207229	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"914185"	385.235986	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1295269"	421.212664	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1373429"	237.237724	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1385456"	255.2477	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"284052"	545.508076	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"678661"	817.758476	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1353187"	273.257676	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H"	1.007276
"126799"	273.257676	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"566364"	409.382876	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1038078"	137.132476	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"204888"	182.507542666667	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"647365"	273.257676	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1166219"	91.7574093333333	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"426209"	562.534623	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"787932"	834.785023	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1689004"	290.284223	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"341665"	281.7709495	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"731904"	417.8961495	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1489367"	145.6457495	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"404765"	567.490018	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"761019"	839.740418	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1609117"	295.239618	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"319153"	284.248647	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"721065"	420.373847	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1475740"	148.123447	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1068386"	99.0847233333333	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1272651"	305.283886	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"392398"	583.463958	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"751932"	855.714358	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1555468"	311.213558	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+K"	38.963158
"314087"	292.235617	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"705414"	428.360817	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1461016"	156.110417	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"249896"	586.534626	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1223700"	314.284226	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1202599"	157.645751	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"197658"	589.47196	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"636124"	861.72236	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1138535"	317.22156	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"181826"	295.239618	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"626126"	431.364818	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1129632"	159.114418	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1406229"	106.412037333333	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1437255"	319.263146	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"228043"	300.27264	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1518662"	333.31519	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"420172"	303.226588	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"785636"	439.351788	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1679697"	167.101388	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"265856"	608.516568	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1240383"	336.266168	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1728059"	336.289693	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1193818"	113.739351333333	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1665563"	341.245088	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"172629"	621.41984	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"612787"	893.67024	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1099910"	349.16944	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"152988"	311.213558	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"590360"	447.338758	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1077059"	175.088358	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1109177"	351.183992	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1348723"	351.271607	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1009718"	355.310776	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1528936"	356.304408	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1004014"	178.159026	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1593171"	357.219028	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1416640"	387.250538	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1162240"	198.672301	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1709606"	404.277085	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1647444"	409.23248	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584185"	425.20642	"C11881"	"Palustradiene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"804708"	288.2453	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M"	0
"982616"	269.22691	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"75233"	191.156257333333	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"511520"	287.238024	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"886040"	95.0744906666666	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"13365"	287.238024	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"445271"	431.360674	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"820886"	143.115374	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"88534"	575.483324	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"527001"	863.728624	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"906990"	287.238024	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"55899"	592.509871	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"498740"	880.755171	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"879905"	304.264571	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"46030"	597.465266	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"486078"	885.710566	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"862540"	309.219966	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1632073"	309.219966	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"107874"	305.226363	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"548408"	449.349013	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"937302"	161.103713	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"277317"	611.460002	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"674725"	899.705302	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1285424"	323.214702	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"29074"	613.439206	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"465358"	901.684506	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"840973"	325.193906	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1564461"	325.193906	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"945783"	333.243494	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"367279"	621.488801	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"348975"	635.504451	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1498172"	347.259151	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"960246"	355.225451	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"114256"	323.214702	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"551993"	467.337352	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1022978"	179.092052	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1246571"	367.164185	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1310113"	369.220172	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1328704"	391.202129	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"915388"	401.230886	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1295379"	437.207564	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1372446"	253.232624	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1384473"	271.2426	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"284526"	577.497876	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"679865"	865.743176	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1351630"	289.252576	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"126909"	289.252576	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"567200"	433.375226	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1039280"	145.129926	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"208643"	193.170809333333	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"649296"	289.252576	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1165596"	97.0890426666667	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"430692"	594.524423	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"788770"	882.769723	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1682305"	306.279123	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"340682"	297.7658495	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"735293"	441.8884995	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1489111"	153.6431995	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"399042"	599.479818	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"755782"	887.725118	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1604001"	311.234518	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"314884"	300.243547	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"719717"	444.366197	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1476579"	156.120897	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1066056"	104.416356666667	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1272113"	321.278786	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"392268"	615.453758	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"753382"	903.699058	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1555527"	327.208458	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"314075"	308.230517	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"706741"	452.353167	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1461261"	164.107867	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"250496"	618.524426	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1224052"	330.279126	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1203802"	165.643201	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"199590"	621.46176	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"638420"	909.70706	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1143384"	333.21646	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"185217"	311.234518	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"626603"	455.357168	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1128282"	167.111868	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1407431"	111.743670666667	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1435178"	335.258046	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"227059"	316.26754	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1519865"	349.31009	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"421011"	319.221488	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"785496"	463.344138	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1680986"	175.098838	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"266331"	640.506368	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1240859"	352.261068	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1728045"	352.284593	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1193523"	119.070984666667	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1665548"	357.239988	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"172702"	653.40964	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"612743"	941.65494	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1099775"	365.16434	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"153098"	327.208458	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"590470"	471.331108	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1077169"	183.085808	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1109287"	367.178892	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1346767"	367.266507	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1010921"	371.305676	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1526130"	372.299308	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"1002058"	186.156476	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1595467"	373.213928	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1416750"	403.245438	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1161257"	206.669751	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1709717"	420.271985	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1648647"	425.22738	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1584295"	441.20132	"C11882"	"Abietinol;Abietol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"804818"	288.2453	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M"	0
"984912"	269.22691	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"78514"	191.156257333333	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"512723"	287.238024	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"886150"	95.0744906666666	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"11288"	287.238024	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"444651"	431.360674	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"819903"	143.115374	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"87548"	575.483324	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"526015"	863.728624	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"901631"	287.238024	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"57102"	592.509871	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"500915"	880.755171	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"879455"	304.264571	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"46708"	597.465266	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"486510"	885.710566	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"863786"	309.219966	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1630358"	309.219966	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"105794"	305.226363	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"547542"	449.349013	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"931213"	161.103713	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"271959"	611.460002	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"672035"	899.705302	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1285532"	323.214702	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"25903"	613.439206	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"463280"	901.684506	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"839987"	325.193906	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1564571"	325.193906	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"949173"	333.243494	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"368482"	621.488801	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"347990"	635.504451	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1499011"	347.259151	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"960356"	355.225451	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"113636"	323.214702	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"550885"	467.337352	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1022475"	179.092052	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1245588"	367.164185	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1311316"	369.220172	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1324438"	391.202129	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"915497"	401.230886	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1291113"	437.207564	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1369273"	253.232624	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1384945"	271.2426	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"283541"	577.497876	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"675769"	865.743176	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1352674"	289.252576	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"127016"	289.252576	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"566943"	433.375226	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1043036"	145.129926	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"206195"	193.170809333333	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"651591"	289.252576	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1166434"	97.0890426666667	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"430802"	594.524423	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"787420"	882.769723	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1682413"	306.279123	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"342978"	297.7658495	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"737590"	441.8884995	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1490314"	153.6431995	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"400245"	599.479818	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"755771"	887.725118	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1604962"	311.234518	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"314993"	300.243547	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"719826"	444.366197	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1475833"	156.120897	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1067262"	104.416356666667	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1272229"	321.278786	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"391970"	615.453758	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"753737"	903.699058	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1554455"	327.208458	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"314148"	308.230517	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"706730"	452.353167	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1461118"	164.107867	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"250605"	618.524426	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1224851"	330.279126	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1209099"	165.643201	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"200428"	621.46176	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"641081"	909.70706	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1145924"	333.21646	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"185690"	311.234518	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"627197"	455.357168	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1130095"	167.111868	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1412280"	111.743670666667	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1438204"	335.258046	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"227169"	316.26754	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1517421"	349.31009	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"421850"	319.221488	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"782121"	463.344138	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1681055"	175.098838	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"266319"	640.506368	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1239874"	352.261068	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1727665"	352.284593	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1193017"	119.070984666667	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1664862"	357.239988	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"172696"	653.40964	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"612457"	941.65494	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1099196"	365.16434	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"156372"	327.208458	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"594715"	471.331108	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1080563"	183.085808	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1110492"	367.178892	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1346877"	367.266507	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1009938"	371.305676	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1526240"	372.299308	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"1002168"	186.156476	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1593391"	373.213928	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1416496"	403.245438	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1160273"	206.669751	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1709827"	420.271985	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1647664"	425.22738	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1584405"	441.20132	"C11883"	"Levopimarinol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"808208"	288.2453	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M"	0
"986116"	269.22691	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"77645"	191.156257333333	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"508458"	287.238024	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"882979"	95.0744906666666	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"9211"	287.238024	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"442939"	431.360674	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"818190"	143.115374	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"83284"	575.483324	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"520659"	863.728624	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"896512"	287.238024	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"50649"	592.509871	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"500053"	880.755171	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"879563"	304.264571	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"45028"	597.465266	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"486172"	885.710566	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"862029"	309.219966	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1629375"	309.219966	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"104811"	305.226363	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"546559"	449.349013	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"930230"	161.103713	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"272069"	611.460002	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"673239"	899.705302	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1284549"	323.214702	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"27107"	613.439206	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"460110"	901.684506	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"840097"	325.193906	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1564681"	325.193906	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"949283"	333.243494	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"366405"	621.488801	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"348464"	635.504451	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1497298"	347.259151	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"961923"	355.225451	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"113382"	323.214702	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"553306"	467.337352	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1022101"	179.092052	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1245698"	367.164185	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1310333"	369.220172	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1327829"	391.202129	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"915608"	401.230886	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1292316"	437.207564	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1370476"	253.232624	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1386879"	271.2426	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"283282"	577.497876	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"676431"	865.743176	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1352422"	289.252576	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"127496"	289.252576	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"568146"	433.375226	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1043145"	145.129926	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"209589"	193.170809333333	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"654982"	289.252576	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1170920"	97.0890426666667	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"428724"	594.524423	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"788989"	882.769723	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1684592"	306.279123	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"340902"	297.7658495	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"733323"	441.8884995	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1483863"	153.6431995	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"395978"	599.479818	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"754699"	887.725118	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1605072"	311.234518	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"314452"	300.243547	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"720662"	444.366197	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1475214"	156.120897	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1062268"	104.416356666667	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1272462"	321.278786	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"391997"	615.453758	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"752264"	903.699058	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1555137"	327.208458	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"313971"	308.230517	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"706869"	452.353167	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1461206"	164.107867	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"251285"	618.524426	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1223783"	330.279126	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1209573"	165.643201	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"202724"	621.46176	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"642285"	909.70706	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1145425"	333.21646	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"186164"	311.234518	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"627549"	455.357168	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1130447"	167.111868	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1413361"	111.743670666667	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1437585"	335.258046	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"228372"	316.26754	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1517530"	349.31009	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"421231"	319.221488	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"782231"	463.344138	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1681128"	175.098838	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"266916"	640.506368	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1240920"	352.261068	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1727775"	352.284593	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1194109"	119.070984666667	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1665564"	357.239988	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"172067"	653.40964	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"612324"	941.65494	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1099794"	365.16434	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"156237"	327.208458	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"595067"	471.331108	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1080673"	183.085808	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1110602"	367.178892	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1346987"	367.266507	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1010412"	371.305676	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1526350"	372.299308	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"1002278"	186.156476	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1593501"	373.213928	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1419158"	403.245438	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1159290"	206.669751	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1709937"	420.271985	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1647774"	425.22738	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1584515"	441.20132	"C11884"	"Neoabietinol;Neoabietol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"808318"	286.2297	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M"	0
"986226"	267.21131	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"78037"	189.812524	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"509661"	285.222424	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"884182"	94.402624	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"9321"	285.222424	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"446695"	428.337274	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"822310"	142.107574	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"83395"	571.452124	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"523319"	857.681824	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"899663"	285.222424	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"52945"	588.478671	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"495788"	874.708371	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"879880"	302.248971	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"44774"	593.434066	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"484216"	879.663766	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"860682"	307.204366	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1627296"	307.204366	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"103824"	303.210763	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"540105"	446.325613	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"927787"	160.095913	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"268899"	607.428802	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"665693"	893.658502	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1283566"	321.199102	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"29403"	609.408006	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"461313"	895.637706	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"841301"	323.178306	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1564791"	323.178306	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"950486"	331.227894	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"366515"	617.457601	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"348574"	631.473251	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1497044"	345.243551	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"960212"	353.209851	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"113492"	321.199102	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"557425"	464.313952	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1027316"	178.084252	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1243619"	365.148585	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1310443"	367.204572	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1323567"	389.186529	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"915717"	399.215286	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1292426"	435.191964	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1370587"	251.217024	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1384437"	269.227	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"283759"	573.466676	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"676180"	859.696376	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1353625"	287.236976	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H"	1.007276
"127239"	287.236976	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"572270"	430.351826	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1042162"	144.122126	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"209334"	191.827076	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"653998"	287.236976	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1174309"	96.417176	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"430657"	590.493223	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"790193"	876.722923	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1683608"	304.263523	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"339919"	295.7502495	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"732340"	438.8650995	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1485066"	152.6353995	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"393902"	595.448618	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"754648"	881.678318	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1602760"	309.218918	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"314437"	298.227947	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"719679"	441.342797	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1474595"	155.113097	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1066751"	103.74449	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1271345"	319.263186	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"392107"	611.422558	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"753467"	897.652258	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1555037"	325.192858	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+K"	38.963158
"314195"	306.214917	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"706575"	449.329767	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1461134"	163.100067	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"250822"	614.493226	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1224257"	328.263526	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1208141"	164.635401	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"197731"	617.43056	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"641301"	903.66026	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1146268"	331.20086	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"182631"	309.218918	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"625836"	452.333768	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1130193"	166.104068	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1411771"	111.071804	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1434044"	333.242446	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"228483"	314.25194	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1519099"	347.29449	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"418786"	317.205888	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"783432"	460.320738	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1679767"	174.091038	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"266781"	636.475168	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1241256"	350.245468	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1727644"	350.268993	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1194061"	118.399118	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1664967"	355.224388	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"172176"	649.37844	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"612603"	935.60814	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1099895"	363.14874	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"155254"	325.192858	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"596029"	468.307708	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1080783"	182.078008	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1110712"	365.163292	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1346004"	365.250907	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1010158"	369.290076	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1526460"	370.283708	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"1002388"	185.148676	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1591422"	371.198328	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1415988"	401.229838	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1159036"	205.661951	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1710047"	418.256385	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1647883"	423.21178	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1584625"	439.18572	"C11885"	"Neoabietal;Neoabietinal"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"805148"	286.2297	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M"	0
"987429"	267.21131	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"77739"	189.812524	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"511958"	285.222424	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"888666"	94.402624	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"10524"	285.222424	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"452271"	428.337274	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"828979"	142.107574	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"93591"	571.452124	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"525252"	857.681824	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"899773"	285.222424	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"57429"	588.478671	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"491522"	874.708371	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"872607"	302.248971	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"43790"	593.434066	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"482988"	879.663766	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"861521"	307.204366	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1627406"	307.204366	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"106486"	303.210763	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"543496"	446.325613	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"929356"	160.095913	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"273374"	607.428802	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"662523"	893.658502	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1283676"	321.199102	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"27327"	609.408006	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"457049"	895.637706	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"835944"	323.178306	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1562714"	323.178306	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"949503"	331.227894	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"365532"	617.457601	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"347225"	631.473251	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1496425"	345.243551	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"961050"	353.209851	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"113966"	321.199102	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"557535"	464.313952	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1024146"	178.084252	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1242636"	365.148585	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1311646"	367.204572	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1322580"	389.186529	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"916921"	399.215286	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1292535"	435.191964	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1371790"	251.217024	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1387099"	269.227	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"285693"	573.466676	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"677382"	859.696376	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1353371"	287.236976	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H"	1.007276
"133914"	287.236976	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"574567"	430.351826	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1044460"	144.122126	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"210901"	191.827076	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"651921"	287.236976	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1172232"	96.417176	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"430038"	590.493223	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"788480"	876.722923	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1684812"	304.263523	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"337841"	295.7502495	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"724429"	438.8650995	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1479707"	152.6353995	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"396198"	595.448618	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"755005"	881.678318	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1602857"	309.218918	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"314959"	298.227947	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"717600"	441.342797	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1471787"	155.113097	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1065040"	103.74449	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1269998"	319.263186	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"391853"	611.422558	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"752119"	897.652258	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1554661"	325.192858	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+K"	38.963158
"313781"	306.214917	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"706079"	449.329767	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1461244"	163.100067	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"251219"	614.493226	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1223761"	328.263526	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1208982"	164.635401	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"200757"	617.43056	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"642751"	903.66026	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1145528"	331.20086	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"186266"	309.218918	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"627042"	452.333768	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1129939"	166.104068	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1412124"	111.071804	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1437800"	333.242446	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"227500"	314.25194	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1519209"	347.29449	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"417074"	317.205888	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"782083"	460.320738	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1679149"	174.091038	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"266937"	636.475168	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1241298"	350.245468	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1724713"	350.268993	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1191157"	118.399118	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1665534"	355.224388	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"172657"	649.37844	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"612738"	935.60814	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1098426"	363.14874	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"154632"	325.192858	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"593101"	468.307708	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1082474"	182.078008	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1113009"	365.163292	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1350487"	365.250907	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1010268"	369.290076	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1526206"	370.283708	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"1004320"	185.148676	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1594812"	371.198328	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1418285"	401.229838	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1159510"	205.661951	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1710157"	418.256385	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1647993"	423.21178	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1584735"	439.18572	"C11886"	"Levopimarinal"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"805258"	286.2297	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M"	0
"985352"	267.21131	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"76877"	189.812524	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"508788"	285.222424	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"887682"	94.402624	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"11728"	285.222424	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"451287"	428.337274	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"829089"	142.107574	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"93093"	571.452124	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"524269"	857.681824	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"900976"	285.222424	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"56446"	588.478671	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"493819"	874.708371	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"873811"	302.248971	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"42077"	593.434066	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"479088"	879.663766	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"857986"	307.204366	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1625330"	307.204366	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"101858"	303.210763	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"538137"	446.325613	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"929097"	160.095913	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"268384"	607.428802	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"660561"	893.658502	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1281599"	321.199102	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"26344"	609.408006	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"458252"	895.637706	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"834961"	323.178306	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1561731"	323.178306	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"948520"	331.227894	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"364549"	617.457601	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"347336"	631.473251	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1496535"	345.243551	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"961525"	353.209851	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"114806"	321.199102	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"557645"	464.313952	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1025349"	178.084252	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1247119"	365.148585	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1311756"	367.204572	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1320504"	389.186529	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"920311"	399.215286	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1291552"	435.191964	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1370807"	251.217024	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1391583"	269.227	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"285072"	573.466676	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"680412"	859.696376	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1352386"	287.236976	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H"	1.007276
"135117"	287.236976	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"575771"	430.351826	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1045663"	144.122126	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"209918"	191.827076	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"654217"	287.236976	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1171612"	96.417176	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"429053"	590.493223	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"788225"	876.722923	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1683100"	304.263523	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"335763"	295.7502495	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"728181"	438.8650995	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1480909"	152.6353995	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"396307"	595.448618	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"755840"	881.678318	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1603335"	309.218918	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"315069"	298.227947	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"718074"	441.342797	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1471897"	155.113097	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1065150"	103.74449	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1269379"	319.263186	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"390384"	611.422558	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"750771"	897.652258	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1554650"	325.192858	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+K"	38.963158
"313287"	306.214917	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"706067"	449.329767	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1460382"	163.100067	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"250765"	614.493226	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1224113"	328.263526	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1209258"	164.635401	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"202690"	617.43056	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"643227"	903.66026	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1145756"	331.20086	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"186862"	309.218918	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"626421"	452.333768	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1129682"	166.104068	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1412476"	111.071804	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1435723"	333.242446	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"225424"	314.25194	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1517861"	347.29449	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"415361"	317.205888	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"782557"	460.320738	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1678894"	174.091038	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"266759"	636.475168	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1240681"	350.245468	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1726645"	350.268993	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1191267"	118.399118	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1665183"	355.224388	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"172280"	649.37844	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"612204"	935.60814	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1096832"	363.14874	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"152555"	325.192858	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"594304"	468.307708	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1083190"	182.078008	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1110932"	365.163292	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1350478"	365.250907	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1010378"	369.290076	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1528502"	370.283708	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"1002608"	185.148676	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1594922"	371.198328	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1418395"	401.229838	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1160713"	205.661951	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1711360"	418.256385	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1647375"	423.21178	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1584845"	439.18572	"C11887"	"Abietal;Abietaldehyde;Abietinal"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"808648"	302.2246	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M"	0
"984369"	283.20621	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"76988"	200.475790666667	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"515459"	301.217324	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"889980"	99.7342573333333	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"14025"	301.217324	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"453585"	452.329624	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"831874"	150.105024	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"94221"	603.441924	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"532884"	905.666524	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"902180"	301.217324	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"56556"	620.468471	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"497214"	922.693071	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"875013"	318.243871	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"42915"	625.423866	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"478105"	927.648466	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"858096"	323.199266	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1627626"	323.199266	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"103061"	319.205663	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"540433"	470.317963	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"929575"	168.093363	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"270683"	639.418602	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"661034"	941.643202	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1280616"	337.194002	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"26454"	641.397806	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"457269"	943.622406	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"835071"	339.173206	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1561841"	339.173206	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"948630"	347.222794	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"363929"	649.447401	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"347079"	663.463051	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1496645"	361.238451	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"961635"	369.204751	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"116009"	337.194002	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"558848"	488.306302	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1025459"	186.081702	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1245406"	381.143485	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1311866"	383.199472	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1321707"	405.181429	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"918235"	415.210186	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1290205"	451.186864	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1375291"	267.211924	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1387322"	285.2219	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"284088"	605.456476	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"683802"	907.681076	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1356140"	303.231876	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"136320"	303.231876	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"573693"	454.344176	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1044679"	152.119576	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"210757"	202.490342666667	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"652503"	303.231876	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1169535"	101.748809333333	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"428069"	622.483023	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"789793"	924.707623	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1684303"	320.258423	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"334777"	311.7451495	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"728290"	462.8574495	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1478101"	160.6328495	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"398604"	627.438418	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"756317"	929.663018	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1603929"	325.213818	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"314482"	314.222847	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"717455"	465.335147	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1473464"	163.110547	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1065625"	109.076123333333	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1270947"	335.258086	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"389523"	643.412358	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"751975"	945.636958	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1553671"	341.187758	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"312548"	322.209817	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"705940"	473.322117	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1460852"	171.097517	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"250913"	646.483026	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1219484"	344.258426	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1206647"	172.632851	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"199519"	649.42036	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"637985"	951.64496	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1143677"	347.19576	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"184784"	325.213818	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"625436"	476.326118	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1129307"	174.101518	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1412342"	116.403437333333	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1438020"	349.237346	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"226627"	330.24684	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1520159"	363.28939	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"415472"	333.200788	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"783759"	484.313088	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1679002"	182.088488	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"264433"	668.464968	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1238599"	366.240368	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1719827"	366.263893	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1188461"	123.730751333333	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1664552"	371.219288	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"170682"	681.36824	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"610243"	983.59284	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1099133"	379.14364	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"149385"	341.187758	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"595874"	492.300058	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1083183"	190.075458	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1111042"	381.158192	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1351169"	381.245807	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1017049"	385.284976	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1528612"	386.278608	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1004665"	193.146126	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1599408"	387.193228	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1427254"	417.224738	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1160823"	213.659401	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1711470"	434.251285	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1647849"	439.20668	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1584955"	455.18062	"C11888"	"Levopimaric acid;L-Pimaric acid"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"805478"	302.2246	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M"	0
"985572"	283.20621	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"68347"	200.475790666667	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"515569"	301.217324	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"893006"	99.7342573333333	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"15190"	301.217324	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"454788"	452.329624	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"832347"	150.105024	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"93925"	603.441924	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"531051"	905.666524	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"902291"	301.217324	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"56666"	620.468471	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"495136"	922.693071	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"869290"	318.243871	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"39743"	625.423866	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"485505"	927.648466	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"858206"	323.199266	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1626644"	323.199266	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"99890"	319.205663	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"539451"	470.317963	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"932236"	168.093363	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"271522"	639.418602	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"661635"	941.643202	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1274891"	337.194002	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"27293"	641.397806	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"458471"	943.622406	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"836637"	339.173206	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1559764"	339.173206	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"949834"	347.222794	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"365132"	649.447401	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"346825"	663.463051	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1497119"	361.238451	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"963932"	369.204751	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"118307"	337.194002	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"557866"	488.306302	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1027757"	186.081702	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1243692"	381.143485	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1310881"	383.199472	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1327284"	405.181429	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"917615"	415.210186	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1291771"	451.186864	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1372117"	267.211924	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1387796"	285.2219	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"284931"	605.456476	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"678077"	907.681076	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1355157"	303.231876	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"132055"	303.231876	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"570524"	454.344176	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1045884"	152.119576	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"210503"	202.490342666667	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"651157"	303.231876	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1168555"	101.748809333333	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"429641"	622.483023	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"788082"	924.707623	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1682956"	320.258423	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"334157"	311.7451495	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"727307"	462.8574495	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1477847"	160.6328495	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"399806"	627.438418	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"758614"	929.663018	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1604164"	325.213818	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"314923"	314.222847	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"713555"	465.335147	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1470657"	163.110547	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1066828"	109.076123333333	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1272031"	335.258086	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"391091"	643.412358	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"754221"	945.636958	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1555361"	341.187758	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"313629"	322.209817	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"707053"	473.322117	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1461038"	171.097517	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"251180"	646.483026	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1224819"	344.258426	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1204570"	172.632851	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"199629"	649.42036	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"640282"	951.64496	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1144881"	347.19576	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"187080"	325.213818	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"625181"	476.326118	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1129050"	174.101518	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1413546"	116.403437333333	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1438131"	349.237346	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"226736"	330.24684	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1522455"	363.28939	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"416675"	333.200788	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"784233"	484.313088	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1678383"	182.088488	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"263813"	668.464968	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1237612"	366.240368	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1716657"	366.263893	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1188571"	123.730751333333	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1663930"	371.219288	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"168605"	681.36824	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"611084"	983.59284	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1098879"	379.14364	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"152775"	341.187758	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"594524"	492.300058	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1083166"	190.075458	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1113339"	381.158192	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1350214"	381.245807	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1017159"	385.284976	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1529816"	386.278608	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1002830"	193.146126	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1600613"	387.193228	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1426271"	417.224738	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1159840"	213.659401	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1711580"	434.251285	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1648688"	439.20668	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1585065"	455.18062	"C11889"	"Neoabietic acid"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"805588"	290.261	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M"	0
"984589"	271.24261	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"71737"	192.500057333333	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"512397"	289.253724	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"894575"	95.7463906666667	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"14611"	289.253724	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"454899"	434.384224	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"832746"	144.123224	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"93422"	579.514724	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"533347"	869.775724	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"903496"	289.253724	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"55684"	596.541271	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"490140"	886.802271	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"869764"	306.280271	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"37667"	601.496666	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"484519"	891.757666	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"859409"	311.235666	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1627847"	311.235666	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"98907"	307.242063	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"538465"	452.372563	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"930887"	162.111563	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"271631"	615.491402	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"663327"	905.752402	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1273909"	325.230402	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"26674"	617.470606	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"459309"	907.731606	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"837840"	327.209606	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1559873"	327.209606	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"948850"	335.259194	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"365242"	625.520201	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"349852"	639.535851	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1497594"	349.274851	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"964406"	357.241151	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"119511"	325.230402	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"555789"	470.360902	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1027868"	180.099902	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1241978"	369.179885	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1308805"	371.235872	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1321927"	393.217829	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"916632"	403.246586	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1292974"	439.223264	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1370041"	255.248324	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1387906"	273.2583	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"284676"	581.529276	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"676852"	871.790276	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1354174"	291.268276	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"130342"	291.268276	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"571727"	436.398776	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1045994"	146.137776	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"209520"	194.514609333333	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"647625"	291.268276	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1165020"	97.7609426666667	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"431573"	598.555823	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"789652"	888.816823	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1683066"	308.294823	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"333904"	299.7815495	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"727417"	444.9120495	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1479171"	154.6510495	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"399916"	603.511218	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"759817"	893.772218	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1604881"	313.250218	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"314750"	302.259247	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"714756"	447.389747	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1466391"	157.128747	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1062921"	105.088256666667	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1272215"	323.294486	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"392252"	619.485158	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"753936"	909.746158	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1554607"	329.224158	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"312514"	310.246217	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"705301"	455.376717	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1459852"	165.115717	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"248818"	622.555826	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1218608"	332.294826	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1202490"	166.651051	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"200834"	625.49316	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"641486"	915.75416	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1144991"	335.23216	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"185003"	313.250218	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"624561"	458.380718	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1125880"	168.119718	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1411226"	112.415570666667	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1438241"	337.273746	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"226846"	318.28324	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1523173"	351.32579	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"418971"	321.237188	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"785197"	466.367688	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1679950"	176.106688	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"265017"	644.537768	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1239548"	354.276768	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1726608"	354.300293	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1188682"	119.742884666667	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1664041"	359.255688	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"170903"	657.44104	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"608277"	947.70204	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1094976"	367.18004	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"149604"	329.224158	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"586978"	474.354658	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1074768"	184.093658	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1113447"	369.194592	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1349591"	369.282207	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1017269"	373.321376	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1533207"	374.315008	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"1004033"	187.164326	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1601452"	375.229628	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1428205"	405.261138	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1159952"	207.677601	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1712418"	422.287685	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1646977"	427.24308	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1585175"	443.21702	"C11890"	"Aphidicolan-16beta-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"805698"	272.2504	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M"	0
"984699"	253.23201	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"71847"	180.492990666667	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"512507"	271.243124	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"893592"	89.7428573333333	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"13263"	271.243124	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"451729"	407.368324	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"830623"	135.117924	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"93412"	543.493524	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"532242"	815.743924	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"904698"	271.243124	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"54700"	560.520071	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"490250"	832.770471	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"876441"	288.269671	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"44341"	565.475466	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"485362"	837.725866	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"858426"	293.225066	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1627959"	293.225066	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"101205"	289.231463	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"540764"	425.356663	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"929908"	153.106263	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"267364"	579.470202	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"666356"	851.720602	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1278760"	307.219802	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"26785"	581.449406	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"459787"	853.699806	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"836495"	309.199006	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1558890"	309.199006	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"946773"	317.248594	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"363895"	589.499001	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"353248"	603.514651	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1498434"	331.264251	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960141"	339.230551	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"113059"	307.219802	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"551161"	443.345002	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1022511"	171.094602	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1242818"	351.169285	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1308915"	353.225272	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1320580"	375.207229	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"912002"	385.235986	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1291990"	421.212664	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1367354"	237.237724	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1393118"	255.2477	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"286610"	545.508076	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"676841"	817.758476	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1353554"	273.257676	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H"	1.007276
"132277"	273.257676	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"569652"	409.382876	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1043918"	137.132476	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"214005"	182.507542666667	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"650287"	273.257676	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1165860"	91.7574093333333	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"430591"	562.534623	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"791587"	834.785023	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1684637"	290.284223	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"334014"	281.7709495	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"726435"	417.8961495	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1479160"	145.6457495	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"395653"	567.490018	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"757741"	839.740418	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1602920"	295.239618	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"314780"	284.248647	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"714868"	420.373847	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1468687"	148.123447	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1055376"	99.0847233333333	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1259240"	305.283886	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"383283"	583.463958	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"746466"	855.714358	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1541227"	311.213558	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+K"	38.963158
"300952"	292.235617	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"704679"	428.360817	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1460570"	156.110417	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"248928"	586.534626	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1218718"	314.284226	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1200414"	157.645751	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"195476"	589.47196	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"640502"	861.72236	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1140727"	317.22156	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"181831"	295.239618	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"623214"	431.364818	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1125992"	159.114418	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1408058"	106.412037333333	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1438715"	319.263146	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"227680"	300.27264	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1521581"	333.31519	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"419081"	303.226588	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"783359"	439.351788	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1679335"	167.101388	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"264758"	608.516568	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1241282"	336.266168	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1723438"	336.289693	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1188792"	113.739351333333	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1657591"	341.245088	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"168826"	621.41984	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"607294"	893.67024	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1097273"	349.16944	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"151902"	311.213558	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"591463"	447.338758	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1074880"	175.088358	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1106997"	351.183992	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1343382"	351.271607	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1017379"	355.310776	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1530036"	356.304408	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1004874"	178.159026	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1601805"	357.219028	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1428315"	387.250538	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1161155"	198.672301	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1712164"	404.277085	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1646358"	409.23248	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1585285"	425.20642	"C11891"	"Aphidicol-16-ene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"809088"	272.2504	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M"	0
"979341"	253.23201	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"71957"	180.492990666667	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"513711"	271.243124	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"890420"	89.7428573333333	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"14472"	271.243124	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"454759"	407.368324	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"828546"	135.117924	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"93281"	543.493524	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"534063"	815.743924	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"906996"	271.243124	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"59185"	560.520071	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"496557"	832.770471	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"876552"	288.269671	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"44087"	565.475466	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"486202"	837.725866	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"861816"	293.225066	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1626976"	293.225066	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"103503"	289.231463	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"543061"	425.356663	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"930383"	153.106263	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"269669"	579.470202	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"669747"	851.720602	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1282150"	307.219802	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"29447"	581.449406	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"462084"	853.699806	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"842072"	309.199006	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1561187"	309.199006	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"946883"	317.248594	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"366192"	589.499001	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"356638"	603.514651	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1501096"	331.264251	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"964626"	339.230551	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"118636"	307.219802	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"553094"	443.345002	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1025901"	171.094602	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1243292"	351.169285	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1306838"	353.225272	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1320690"	375.207229	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"914300"	385.235986	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1289668"	421.212664	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1368557"	237.237724	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1394687"	255.2477	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"289636"	545.508076	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"676343"	817.758476	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1355125"	273.257676	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H"	1.007276
"135303"	273.257676	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"573042"	409.382876	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1041841"	137.132476	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"207556"	182.507542666667	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"651492"	273.257676	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1168524"	91.7574093333333	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"430702"	562.534623	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"790604"	834.785023	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1682924"	290.284223	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"334124"	281.7709495	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"726545"	417.8961495	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1478784"	145.6457495	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"397951"	567.490018	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"760041"	839.740418	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1604007"	295.239618	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"317082"	284.248647	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"714613"	420.373847	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1464422"	148.123447	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1056579"	99.0847233333333	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1261536"	305.283886	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"382297"	583.463958	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"742202"	855.714358	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1542794"	311.213558	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+K"	38.963158
"303250"	292.235617	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"706009"	428.360817	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1457516"	156.110417	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"249525"	586.534626	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1223567"	314.284226	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1207449"	157.645751	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"194493"	589.47196	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"642071"	861.72236	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1137555"	317.22156	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"183035"	295.239618	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"623326"	431.364818	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1123912"	159.114418	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1407073"	106.412037333333	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1437368"	319.263146	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"228520"	300.27264	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1518409"	333.31519	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"422107"	303.226588	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"783837"	439.351788	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1680660"	167.101388	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"266690"	608.516568	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1240942"	336.266168	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1721361"	336.289693	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1189995"	113.739351333333	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1656608"	341.245088	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"166749"	621.41984	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"607404"	893.67024	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1097383"	349.16944	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"155292"	311.213558	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"595342"	447.338758	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1083702"	175.088358	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1113547"	351.183992	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1351306"	351.271607	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1019922"	355.310776	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1530146"	356.304408	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1004741"	178.159026	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1600943"	357.219028	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1428426"	387.250538	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1162117"	198.672301	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1709720"	404.277085	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1648290"	409.23248	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1585395"	425.20642	"C11892"	"Aphidicol-15-ene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"805918"	272.2504	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M"	0
"982731"	253.23201	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"72067"	180.492990666667	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"511633"	271.243124	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"887249"	89.7428573333333	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"12024"	271.243124	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"450854"	407.368324	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"823188"	135.117924	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"92657"	543.493524	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"528209"	815.743924	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"906012"	271.243124	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"56014"	560.520071	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"494478"	832.770471	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"876541"	288.269671	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"41281"	565.475466	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"483031"	837.725866	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"858646"	293.225066	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1621619"	293.225066	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"100332"	289.231463	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"536611"	425.356663	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"932315"	153.106263	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"269778"	579.470202	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"666576"	851.720602	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1280073"	307.219802	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"25912"	581.449406	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"458063"	853.699806	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"841089"	309.199006	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1560204"	309.199006	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"945900"	317.248594	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"365209"	589.499001	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"346299"	603.514651	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1495010"	331.264251	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"963643"	339.230551	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"115466"	307.219802	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"553204"	443.345002	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1023825"	171.094602	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1242064"	351.169285	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1305124"	353.225272	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1323350"	375.207229	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"912827"	385.235986	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1292210"	421.212664	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1367816"	237.237724	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1392245"	255.2477	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"284035"	545.508076	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"677062"	817.758476	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1354504"	273.257676	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H"	1.007276
"137600"	273.257676	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"572057"	409.382876	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1041951"	137.132476	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209853"	182.507542666667	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"655612"	273.257676	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1169727"	91.7574093333333	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"430812"	562.534623	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"790714"	834.785023	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1684855"	290.284223	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"334233"	281.7709495	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"727748"	417.8961495	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1481568"	145.6457495	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"399155"	567.490018	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"763431"	839.740418	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1609343"	295.239618	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"319378"	284.248647	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"714723"	420.373847	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1465625"	148.123447	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1055596"	99.0847233333333	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1260552"	305.283886	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"380221"	583.463958	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"742311"	855.714358	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1547639"	311.213558	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+K"	38.963158
"304452"	292.235617	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"706604"	428.360817	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1460179"	156.110417	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"249513"	586.534626	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1223799"	314.284226	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1206829"	157.645751	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"201525"	589.47196	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"642182"	861.72236	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1145325"	317.22156	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"184241"	295.239618	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"627082"	431.364818	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1126576"	159.114418	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1413017"	106.412037333333	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1443310"	319.263146	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"233370"	300.27264	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1518155"	333.31519	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"421124"	303.226588	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"779574"	439.351788	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1677729"	167.101388	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"266435"	608.516568	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1240723"	336.266168	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1718191"	336.289693	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1181358"	113.739351333333	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1652708"	341.245088	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"161392"	621.41984	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"606419"	893.67024	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1092025"	349.16944	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"155280"	311.213558	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"595573"	447.338758	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1081661"	175.088358	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1113778"	351.183992	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1350779"	351.271607	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1020274"	355.310776	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1530256"	356.304408	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1002907"	178.159026	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1602513"	357.219028	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1428536"	387.250538	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1161740"	198.672301	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1709830"	404.277085	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1649129"	409.23248	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1585505"	425.20642	"C11893"	"Cembrene;Thunbergen;()-Thunbergen;()-Cembrene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"806028"	272.2504	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M"	0
"976281"	253.23201	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"65617"	180.492990666667	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"509557"	271.243124	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"887359"	89.7428573333333	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"13592"	271.243124	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"452058"	407.368324	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"828765"	135.117924	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"89851"	543.493524	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"530506"	815.743924	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"905028"	271.243124	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"55031"	560.520071	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"495683"	832.770471	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"875679"	288.269671	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"43580"	565.475466	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"486341"	837.725866	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"862037"	293.225066	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1627196"	293.225066	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"98257"	289.231463	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"540004"	425.356663	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"930239"	153.106263	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"270982"	579.470202	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"666686"	851.720602	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1279090"	307.219802	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"27115"	581.449406	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"464491"	853.699806	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"842292"	309.199006	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1560314"	309.199006	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"946374"	317.248594	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"369694"	589.499001	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"348840"	603.514651	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1499494"	331.264251	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"963389"	339.230551	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"115940"	307.219802	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"552950"	443.345002	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1023935"	171.094602	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1244243"	351.169285	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1307057"	353.225272	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1323461"	375.207229	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"914883"	385.235986	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1292684"	421.212664	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1368049"	237.237724	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1392355"	255.2477	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"286576"	545.508076	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"679357"	817.758476	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1359717"	273.257676	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"129328"	273.257676	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"571075"	409.382876	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1042427"	137.132476	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209963"	182.507542666667	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"648431"	273.257676	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1165462"	91.7574093333333	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"429828"	562.534623	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"788635"	834.785023	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1690435"	290.284223	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"331431"	281.7709495	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"724702"	417.8961495	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1483867"	145.6457495	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"400360"	567.490018	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"765728"	839.740418	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1614921"	295.239618	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"322769"	284.248647	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"711918"	420.373847	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1464642"	148.123447	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1055703"	99.0847233333333	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1259569"	305.283886	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"379234"	583.463958	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"746788"	855.714358	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1547020"	311.213558	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"303468"	292.235617	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"701727"	428.360817	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1460652"	156.110417	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"248159"	586.534626	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1223421"	314.284226	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1208641"	157.645751	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"202362"	589.47196	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"640831"	861.72236	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1141055"	317.22156	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"182162"	295.239618	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"625732"	431.364818	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1126321"	159.114418	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1405470"	106.412037333333	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1439773"	319.263146	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"233113"	300.27264	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1518629"	333.31519	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"420872"	303.226588	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"781870"	439.351788	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1678932"	167.101388	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"266545"	608.516568	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1240914"	336.266168	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1721581"	336.289693	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1183655"	113.739351333333	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1659014"	341.245088	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"163689"	621.41984	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"607623"	893.67024	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1092134"	349.16944	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"153324"	311.213558	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"596413"	447.338758	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1083727"	175.088358	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1110608"	351.183992	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1350890"	351.271607	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1017709"	355.310776	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1530366"	356.304408	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1004840"	178.159026	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1602260"	357.219028	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1429374"	387.250538	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1161851"	198.672301	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1709940"	404.277085	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1647781"	409.23248	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1585615"	425.20642	"C11894"	"Taxa-4(5)11(12)-diene;Taxa-411-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"813793"	288.2453	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M"	0
"986232"	269.22691	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"75568"	191.156257333333	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"512945"	287.238024	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"886375"	95.0744906666666	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"12244"	287.238024	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"452168"	431.360674	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"829604"	143.115374	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"88866"	575.483324	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"529523"	863.728624	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"906233"	287.238024	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"55141"	592.509871	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"497979"	880.755171	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"875789"	304.264571	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"43691"	597.465266	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"485074"	885.710566	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"861054"	309.219966	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1627306"	309.219966	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"100555"	305.226363	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"539021"	449.349013	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"933629"	161.103713	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"273279"	611.460002	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"668983"	899.705302	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1280292"	323.214702	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"27225"	613.439206	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"465694"	901.684506	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"835842"	325.193906	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1562612"	325.193906	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"948306"	333.243494	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"368711"	621.488801	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"351500"	635.504451	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1499604"	347.259151	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"960948"	355.225451	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"113864"	323.214702	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"552331"	467.337352	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1026232"	179.092052	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1244719"	367.164185	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1305709"	369.220172	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1323570"	391.202129	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"917909"	401.230886	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1293158"	437.207564	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1369496"	253.232624	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1392465"	271.2426	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"291060"	577.497876	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"679106"	865.743176	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1355454"	289.252576	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"127616"	289.252576	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"567177"	433.375226	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1042538"	145.129926	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"213354"	193.170809333333	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"652916"	289.252576	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1165571"	97.0890426666667	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"427749"	594.524423	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"789837"	882.769723	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1688358"	306.279123	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"331177"	297.7658495	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"726876"	441.8884995	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1481792"	153.6431995	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"400470"	599.479818	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"763651"	887.725118	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1611751"	311.234518	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"322879"	300.243547	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"712028"	444.366197	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1462318"	156.120897	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1055815"	104.416356666667	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1261865"	321.278786	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"378981"	615.453758	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"742527"	903.699058	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1543484"	327.208458	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"302485"	308.230517	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"699650"	452.353167	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1455659"	164.107867	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"244260"	618.524426	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1222074"	330.279126	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1207779"	165.643201	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"200285"	621.46176	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"636566"	909.70706	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1137884"	333.21646	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"181177"	311.234518	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"620738"	455.357168	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1122056"	167.111868	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1405580"	111.743670666667	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1435510"	335.258046	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"229578"	316.26754	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1518375"	349.31009	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"420251"	319.221488	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"782709"	463.344138	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1678677"	175.098838	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"265561"	640.506368	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1240337"	352.261068	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1720231"	352.284593	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1184856"	119.070984666667	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1652564"	357.239988	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"160879"	653.40964	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"608825"	941.65494	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1092244"	365.16434	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"147966"	327.208458	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"594088"	471.331108	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1081881"	183.085808	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1112904"	367.178892	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1349289"	367.266507	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1017819"	371.305676	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1532662"	372.299308	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"1005190"	186.156476	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1601640"	373.213928	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1428755"	403.245438	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1161839"	206.669751	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1710050"	420.271985	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1649592"	425.22738	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1585725"	441.20132	"C11895"	"Taxa-4(20)11(12)-dien-5alpha-ol;Taxa-4(20)11-dien-5alpha-ol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"806248"	330.2559	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M"	0
"976501"	311.23751	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-H2O-H"	-19.01839
"65837"	219.163324	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M-3H"	-3.021828
"509775"	329.248624	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M-3H"	-3.021828
"886486"	109.078024	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-3H"	-3.021828
"11625"	329.248624	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M-2H"	-2.014552
"448997"	494.376574	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M-2H"	-2.014552
"828985"	164.120674	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-2H"	-2.014552
"91162"	659.504524	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M-H"	-1.007276
"528535"	989.760424	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M-H"	-1.007276
"907436"	329.248624	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-H"	-1.007276
"58532"	676.531071	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M-2H+NH4"	16.019271
"499185"	1006.786971	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M-2H+NH4"	16.019271
"869337"	346.275171	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-2H+NH4"	16.019271
"43800"	681.486466	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M-2H+Na"	20.974666
"482268"	1011.742366	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M-2H+Na"	20.974666
"858977"	351.230566	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-2H+Na"	20.974666
"1628509"	351.230566	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Na-2H"	20.974666
"101758"	347.236963	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M-H+Cl"	33.962126
"544598"	512.364913	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M-H+Cl"	33.962126
"929364"	182.109013	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-H+Cl"	33.962126
"270109"	695.481202	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+Cl"	34.969402
"668000"	1025.737102	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+Cl"	34.969402
"1279309"	365.225302	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Cl"	34.969402
"24053"	697.460406	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M-2H+K"	36.948606
"470544"	1027.716306	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M-2H+K"	36.948606
"841419"	367.204506	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-2H+K"	36.948606
"1560534"	367.204506	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+K-2H"	36.948606
"949510"	375.254094	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-H+HCOOH"	44.998194
"369913"	705.510001	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+HCOOH-H"	44.998201
"354890"	719.525651	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+Hac-H"	59.013851
"1499714"	389.269751	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Hac-H"	59.013851
"961058"	397.236051	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-H+NaCOOH"	66.980151
"115067"	365.225302	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+2Cl"	69.938804
"556450"	530.353252	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+2Cl"	69.938804
"1032903"	200.097352	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2Cl"	69.938804
"1244101"	409.174785	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Br"	78.918885
"1307642"	411.230772	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Cl+HCOOH"	80.974872
"1324775"	433.212729	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Cl+NaCOOH"	102.956829
"919113"	443.241486	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M-H+CF3COOH"	112.985586
"1292904"	479.218164	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Cl+CF3COOH"	148.962264
"1371792"	295.243224	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H-2H2O"	-35.012676
"1392575"	313.2532	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H-H2O"	-17.0027
"294087"	661.519076	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+H"	1.007276
"680310"	991.774976	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+H"	1.007276
"1359938"	331.263176	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H"	1.007276
"130642"	331.263176	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+2H"	2.014552
"573483"	496.391126	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+2H"	2.014552
"1045563"	166.135226	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2H"	2.014552
"211276"	221.177876	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+3H"	3.021828
"647558"	331.263176	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+3H"	3.021828
"1166775"	111.092576	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+3H"	3.021828
"427856"	678.545623	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+NH4"	18.033823
"792136"	1008.801523	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+NH4"	18.033823
"1688469"	348.289723	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+NH4"	18.033823
"332380"	339.7764495	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+H+NH4"	19.041099
"725165"	504.9043995	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+H+NH4"	19.041099
"1485182"	174.6484995	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H+NH4"	19.041099
"404226"	683.501018	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+Na"	22.989218
"766313"	1013.756918	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+Na"	22.989218
"1616236"	353.245118	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Na"	22.989218
"324082"	342.254147	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+H+Na"	23.996494
"712137"	507.382097	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+H+Na"	23.996494
"1461457"	177.126197	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H+Na"	23.996494
"1055560"	118.41989	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2H+Na"	25.00377
"1258330"	363.289386	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+CH3OH+H"	33.033486
"377511"	699.474958	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+K"	38.963158
"742637"	1029.730858	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+K"	38.963158
"1543595"	369.219058	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+K"	38.963158
"300773"	350.241117	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+H+K"	39.970434
"697572"	515.369067	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+H+K"	39.970434
"1458685"	185.113167	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H+K"	39.970434
"247651"	702.545626	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+ACN+H"	42.033826
"1222184"	372.289726	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+ACN+H"	42.033826
"1208376"	186.648501	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+ACN+2H"	43.041102
"200396"	705.48296	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+2Na-H"	44.97116
"638864"	1035.73886	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+2Na-H"	44.97116
"1136902"	375.22706	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2Na-H"	44.97116
"180195"	353.245118	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+2Na"	45.978436
"618662"	518.373068	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+2Na"	45.978436
"1117303"	188.117168	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2Na"	45.978436
"1407877"	125.747204	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H+2Na"	46.985712
"1436712"	377.268646	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H+HCOOH"	47.012746
"229689"	358.27814	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+3H2O+2H"	56.04448
"1520674"	391.32069	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+IsoProp+H"	61.06479
"422184"	361.232088	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+Na+K"	61.952376
"781725"	526.360038	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+Na+K"	61.952376
"1679760"	196.104138	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Na+K"	61.952376
"265672"	724.527568	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+ACN+Na"	64.015768
"1238015"	394.271668	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+ACN+Na"	64.015768
"1720705"	394.295193	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+NH4+HCOOH"	64.039293
"1184966"	133.074518	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+3Na"	68.967654
"1657046"	399.250588	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Na+HCOOH"	68.994688
"161720"	737.43084	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+2K-H"	76.91904
"607841"	1067.68674	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+2K-H"	76.91904
"1092354"	407.17494	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2K-H"	76.91904
"149169"	369.219058	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"2M+2K"	77.926316
"594198"	534.347008	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"3M+2K"	77.926316
"1081991"	204.091108	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2K"	77.926316
"1113014"	409.189492	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2K+H"	78.933592
"1349399"	409.277107	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+DMSO+H"	79.021207
"1017929"	413.316276	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2ACN+H"	83.060376
"1531679"	414.309908	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+IsoProp+Na+H"	84.054008
"1005543"	207.161776	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+2ACN+2H"	84.067652
"1601994"	415.224528	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+K+HCOOH"	84.968628
"1429230"	445.256038	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+H+CF3COOH"	115.000138
"1161704"	227.675051	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+3ACN+2H"	125.094202
"1710160"	462.282585	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+NH4+CF3COOH"	132.026685
"1649096"	467.23798	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+Na+CF3COOH"	136.98208
"1585835"	483.21192	"C11896"	"Taxa-4(20)11(12)-dien-5alpha-yl acetate"	"C22H34O2"	"330.2559"	"M+K+CF3COOH"	152.95602
"806358"	304.2402	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M"	0
"979891"	285.22181	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"69227"	201.819524	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"509885"	303.232924	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"886596"	100.406124	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"11736"	303.232924	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"451294"	455.353024	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"830189"	151.112824	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"89086"	607.473124	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"528648"	911.713324	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"904266"	303.232924	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"57548"	624.499671	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"496014"	928.739871	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"868354"	320.259471	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"41725"	629.455066	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"481285"	933.695266	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"859087"	325.214866	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1630806"	325.214866	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"105148"	321.221263	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"546895"	473.341363	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"931661"	169.101163	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"273499"	643.449802	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"668110"	947.690002	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1281606"	339.209602	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"18695"	645.429006	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"467006"	949.669206	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"841529"	341.188806	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1562831"	341.188806	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"945245"	349.238394	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"363095"	653.478601	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"353906"	667.494251	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1498364"	363.254051	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"960803"	371.220351	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"118093"	339.209602	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"558746"	491.329702	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1030825"	187.089502	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1243846"	383.159085	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1304710"	385.215072	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1325979"	407.197029	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"918130"	417.225786	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1291557"	453.202464	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1368259"	269.227524	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1392685"	287.2375	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"296383"	609.487676	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"680421"	913.727876	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1358955"	305.247476	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"132939"	305.247476	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"573593"	457.367576	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1044580"	153.127376	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"213573"	203.834076	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"647668"	305.247476	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1167978"	102.420676	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"429063"	626.514223	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"791153"	930.754423	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1688579"	322.274023	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"332491"	313.7607495	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"727098"	465.8808495	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1484199"	161.6406495	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"406888"	631.469618	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"767882"	935.709818	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1615252"	327.229418	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"325286"	316.238447	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"711154"	468.358547	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1462903"	164.118347	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1055306"	109.74799	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1258075"	337.273686	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"378593"	647.443558	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"742748"	951.683758	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1543707"	343.203358	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"300519"	324.225417	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"697682"	476.345517	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1455511"	172.105317	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"245574"	650.514226	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1221566"	346.274026	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1206542"	173.640651	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"198321"	653.45156	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"636787"	957.69176	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1139198"	349.21136	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"178118"	327.229418	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"614397"	479.349518	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1117172"	175.109318	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1399360"	117.075304	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1432449"	351.252946	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"227609"	332.26244	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1511298"	365.30499	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"418648"	335.216388	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"782199"	487.336488	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1678533"	183.096288	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"263958"	672.496168	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1238125"	368.255968	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1719722"	368.279493	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1187263"	124.402618	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1659342"	373.234888	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"170578"	685.39944	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"606858"	989.63964	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1092464"	381.15924	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"148186"	343.203358	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"594308"	495.323458	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1082101"	191.083258	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1107657"	383.173792	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1340761"	383.261407	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1011478"	387.300576	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1526685"	388.294208	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"993865"	194.153926	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1600038"	389.208828	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1428247"	419.240338	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1161086"	214.667201	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1710270"	436.266885	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1648841"	441.22228	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1585945"	457.19622	"C11897"	"Taxa-4(20)11(12)-dien-5alpha13alpha-diol"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"806468"	346.2508	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M"	0
"980001"	327.23241	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-H2O-H"	-19.01839
"69337"	229.826590666667	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M-3H"	-3.021828
"506715"	345.243524	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M-3H"	-3.021828
"887799"	114.409657333333	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-3H"	-3.021828
"11846"	345.243524	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M-2H"	-2.014552
"450310"	518.368924	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M-2H"	-2.014552
"830056"	172.118124	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-2H"	-2.014552
"89196"	691.494324	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M-H"	-1.007276
"529851"	1037.745124	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M-H"	-1.007276
"902189"	345.243524	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-H"	-1.007276
"56565"	708.520871	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M-2H+NH4"	16.019271
"499404"	1054.771671	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M-2H+NH4"	16.019271
"871746"	362.270071	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-2H+NH4"	16.019271
"43657"	713.476266	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M-2H+Na"	20.974666
"484315"	1059.727066	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M-2H+Na"	20.974666
"862115"	367.225466	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-2H+Na"	20.974666
"1630920"	367.225466	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Na-2H"	20.974666
"107445"	363.231863	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M-H+Cl"	33.962126
"547734"	536.357263	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M-H+Cl"	33.962126
"933959"	190.106463	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-H+Cl"	33.962126
"276891"	727.471002	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+Cl"	34.969402
"668220"	1073.721802	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+Cl"	34.969402
"1281716"	381.220202	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Cl"	34.969402
"20992"	729.450206	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M-2H+K"	36.948606
"468575"	1075.701006	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M-2H+K"	36.948606
"844919"	383.199406	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-2H+K"	36.948606
"1559664"	383.199406	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+K-2H"	36.948606
"949733"	391.248994	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-H+HCOOH"	44.998194
"369040"	737.499801	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+HCOOH-H"	44.998201
"350736"	751.515451	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+Hac-H"	59.013851
"1495559"	405.264651	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Hac-H"	59.013851
"962006"	413.230951	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-H+NaCOOH"	66.980151
"118203"	381.220202	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+2Cl"	69.938804
"564323"	554.345602	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+2Cl"	69.938804
"1033122"	208.094802	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2Cl"	69.938804
"1242491"	425.169685	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Br"	78.918885
"1305064"	427.225672	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Cl+HCOOH"	80.974872
"1324630"	449.207629	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Cl+NaCOOH"	102.956829
"917147"	459.236386	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M-H+CF3COOH"	112.985586
"1293124"	495.213064	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Cl+CF3COOH"	148.962264
"1368854"	311.238124	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H-2H2O"	-35.012676
"1392795"	329.2481	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H-H2O"	-17.0027
"294671"	693.508876	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+H"	1.007276
"684906"	1039.759676	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+H"	1.007276
"1359067"	347.258076	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H"	1.007276
"133050"	347.258076	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+2H"	2.014552
"576257"	520.383476	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+2H"	2.014552
"1042503"	174.132676	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2H"	2.014552
"209311"	231.841142666667	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+3H"	3.021828
"647778"	347.258076	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+3H"	3.021828
"1169184"	116.424209333333	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+3H"	3.021828
"431359"	710.535423	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+NH4"	18.033823
"793451"	1056.786223	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+NH4"	18.033823
"1689783"	364.284623	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+NH4"	18.033823
"332602"	355.7713495	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+H+NH4"	19.041099
"725022"	528.8967495	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+H+NH4"	19.041099
"1484309"	182.6459495	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H+NH4"	19.041099
"401895"	715.490818	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+Na"	22.989218
"767993"	1061.741618	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+Na"	22.989218
"1609895"	369.240018	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Na"	22.989218
"321026"	358.249047	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+H+Na"	23.996494
"711630"	531.374447	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+H+Na"	23.996494
"1463989"	185.123647	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H+Na"	23.996494
"1060522"	123.751523333333	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2H+Na"	25.00377
"1266574"	379.284286	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+CH3OH+H"	33.033486
"385148"	731.464758	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+K"	38.963158
"738972"	1077.715558	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+K"	38.963158
"1543817"	385.213958	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+K"	38.963158
"299900"	366.236017	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+H+K"	39.970434
"697792"	539.361417	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+H+K"	39.970434
"1453799"	193.110617	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H+K"	39.970434
"245683"	734.535426	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+ACN+H"	42.033826
"1220580"	388.284626	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+ACN+H"	42.033826
"1206654"	194.645951	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+ACN+2H"	43.041102
"199524"	737.47276	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+2Na-H"	44.97116
"633617"	1083.72356	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+2Na-H"	44.97116
"1138215"	391.22196	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2Na-H"	44.97116
"179321"	369.240018	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+2Na"	45.978436
"614507"	542.365418	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+2Na"	45.978436
"1118012"	196.114618	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2Na"	45.978436
"1401536"	131.078837333333	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H+2Na"	46.985712
"1435840"	393.263546	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H+HCOOH"	47.012746
"225534"	374.27304	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+3H2O+2H"	56.04448
"1512501"	407.31559	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+IsoProp+H"	61.06479
"416573"	377.226988	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+Na+K"	61.952376
"781580"	550.352388	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+Na+K"	61.952376
"1679615"	204.101588	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Na+K"	61.952376
"264798"	756.517368	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+ACN+Na"	64.015768
"1238235"	410.266568	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+ACN+Na"	64.015768
"1722018"	410.290093	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+NH4+HCOOH"	64.039293
"1190653"	138.406151333333	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+3Na"	68.967654
"1662732"	415.245488	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Na+HCOOH"	68.994688
"172677"	769.42064	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+2K-H"	76.91904
"606968"	1115.67144	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+2K-H"	76.91904
"1089292"	423.16984	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2K-H"	76.91904
"150482"	385.213958	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"2M+2K"	77.926316
"594418"	558.339358	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"3M+2K"	77.926316
"1082211"	212.088558	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2K"	77.926316
"1104488"	425.184392	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2K+H"	78.933592
"1340871"	425.272007	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+DMSO+H"	79.021207
"1011588"	429.311176	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2ACN+H"	83.060376
"1527524"	430.304808	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+IsoProp+Na+H"	84.054008
"993975"	215.159226	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+2ACN+2H"	84.067652
"1600512"	431.219428	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+K+HCOOH"	84.968628
"1427264"	461.250938	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+H+CF3COOH"	115.000138
"1161923"	235.672501	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+3ACN+2H"	125.094202
"1710380"	478.277485	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+NH4+CF3COOH"	132.026685
"1649194"	483.23288	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+Na+CF3COOH"	136.98208
"1586055"	499.20682	"C11898"	"Taxa-4(20)11(12)-dien-5alpha-acetoxy-10beta-ol;10beta-Hydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxytaxa-4(20)11(12)-dien-10beta-ol"	"C22H34O3"	"346.2508"	"M+K+CF3COOH"	152.95602
"813141"	440.2046	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M"	0
"983393"	421.18621	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-H2O-H"	-19.01839
"77834"	292.462457333333	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M-3H"	-3.021828
"506825"	439.197324	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M-3H"	-3.021828
"880493"	145.727590666667	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-3H"	-3.021828
"2109"	439.197324	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M-2H"	-2.014552
"451513"	659.299624	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M-2H"	-2.014552
"826033"	219.095024	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-2H"	-2.014552
"89308"	879.401924	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M-H"	-1.007276
"531054"	1319.606524	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M-H"	-1.007276
"905575"	439.197324	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-H"	-1.007276
"61530"	896.428471	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M-2H+NH4"	16.019271
"501695"	1336.633071	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M-2H+NH4"	16.019271
"871856"	456.223871	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-2H+NH4"	16.019271
"43037"	901.383866	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M-2H+Na"	20.974666
"484424"	1341.588466	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M-2H+Na"	20.974666
"862589"	461.179266	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-2H+Na"	20.974666
"1632122"	461.179266	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Na-2H"	20.974666
"107555"	457.185663	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M-H+Cl"	33.962126
"548937"	677.287963	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M-H+Cl"	33.962126
"936256"	237.083363	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-H+Cl"	33.962126
"280281"	915.378602	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+Cl"	34.969402
"667236"	1355.583202	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+Cl"	34.969402
"1279639"	475.174002	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Cl"	34.969402
"21102"	917.357806	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M-2H+K"	36.948606
"469413"	1357.562406	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M-2H+K"	36.948606
"845029"	477.153206	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-2H+K"	36.948606
"1564149"	477.153206	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+K-2H"	36.948606
"952031"	485.202794	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-H+HCOOH"	44.998194
"366963"	925.407401	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+HCOOH-H"	44.998201
"351939"	939.423051	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+Hac-H"	59.013851
"1499678"	499.218451	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Hac-H"	59.013851
"966126"	507.184751	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-H+NaCOOH"	66.980151
"120500"	475.174002	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+2Cl"	69.938804
"564922"	695.276302	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+2Cl"	69.938804
"1036392"	255.071702	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2Cl"	69.938804
"1242969"	519.123485	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Br"	78.918885
"1305539"	521.179472	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Cl+HCOOH"	80.974872
"1323280"	543.161429	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Cl+NaCOOH"	102.956829
"916891"	553.190186	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M-H+CF3COOH"	112.985586
"1289952"	589.166864	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Cl+CF3COOH"	148.962264
"1367505"	405.191924	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H-2H2O"	-35.012676
"1385614"	423.2019	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H-H2O"	-17.0027
"294417"	881.416476	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+H"	1.007276
"684651"	1321.621076	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+H"	1.007276
"1359176"	441.211876	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H"	1.007276
"130971"	441.211876	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+2H"	2.014552
"571626"	661.314176	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+2H"	2.014552
"1045893"	221.109576	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2H"	2.014552
"213793"	294.477009333333	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+3H"	3.021828
"647888"	441.211876	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+3H"	3.021828
"1168561"	147.742142666667	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+3H"	3.021828
"430376"	898.443023	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+NH4"	18.033823
"788820"	1338.647623	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+NH4"	18.033823
"1686611"	458.238423	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+NH4"	18.033823
"337073"	449.7251495	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+H+NH4"	19.041099
"726225"	669.8274495	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+H+NH4"	19.041099
"1483326"	229.6228495	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H+NH4"	19.041099
"406988"	903.398418	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+Na"	22.989218
"767982"	1343.603018	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+Na"	22.989218
"1610005"	463.193818	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Na"	22.989218
"322229"	452.202847	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+H+Na"	23.996494
"711376"	672.305147	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+H+Na"	23.996494
"1464099"	232.100547	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H+Na"	23.996494
"1059539"	155.069456666667	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2H+Na"	25.00377
"1267777"	473.238086	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+CH3OH+H"	33.033486
"384165"	919.372358	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+K"	38.963158
"740054"	1359.576958	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+K"	38.963158
"1546113"	479.167758	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+K"	38.963158
"302197"	460.189817	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+H+K"	39.970434
"696809"	680.292117	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+H+K"	39.970434
"1455002"	240.087517	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H+K"	39.970434
"245793"	922.443026	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+ACN+H"	42.033826
"1220690"	482.238426	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+ACN+H"	42.033826
"1206764"	241.622851	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+ACN+2H"	43.041102
"201820"	925.38036	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+2Na-H"	44.97116
"634821"	1365.58496	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+2Na-H"	44.97116
"1139418"	485.17576	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2Na-H"	44.97116
"177243"	463.193818	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+2Na"	45.978436
"615710"	683.296118	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+2Na"	45.978436
"1119215"	243.091518	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2Na"	45.978436
"1404926"	162.396770666667	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H+2Na"	46.985712
"1437043"	487.217346	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H+HCOOH"	47.012746
"228923"	468.22684	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+3H2O+2H"	56.04448
"1514797"	501.26939	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+IsoProp+H"	61.06479
"415590"	471.180788	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+Na+K"	61.952376
"778773"	691.283088	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+Na+K"	61.952376
"1679118"	251.078488	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Na+K"	61.952376
"265272"	944.424968	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+ACN+Na"	64.015768
"1237981"	504.220368	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+ACN+Na"	64.015768
"1717755"	504.243893	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+NH4+HCOOH"	64.039293
"1188576"	169.724084666667	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+3Na"	68.967654
"1662478"	509.199288	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Na+HCOOH"	68.994688
"170677"	957.32824	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+2K-H"	76.91904
"602704"	1397.53284	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+2K-H"	76.91904
"1089402"	517.12364	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2K-H"	76.91904
"149499"	479.167758	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"2M+2K"	77.926316
"591248"	699.270058	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"3M+2K"	77.926316
"1075761"	259.065458	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2K"	77.926316
"1110064"	519.138192	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2K+H"	78.933592
"1340981"	519.225807	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+DMSO+H"	79.021207
"1009510"	523.264976	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2ACN+H"	83.060376
"1527634"	524.258608	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+IsoProp+Na+H"	84.054008
"1000645"	262.136126	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+2ACN+2H"	84.067652
"1595148"	525.173228	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+K+HCOOH"	84.968628
"1427372"	555.204738	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+H+CF3COOH"	115.000138
"1161913"	282.649401	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+3ACN+2H"	125.094202
"1710490"	572.231285	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+NH4+CF3COOH"	132.026685
"1648327"	577.18668	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+Na+CF3COOH"	136.98208
"1586165"	593.16062	"C11899"	"10-Deacetyl-2-debenzoylbaccatin III"	"C22H32O9"	"440.2046"	"M+K+CF3COOH"	152.95602
"806688"	586.2414	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M"	0
"983503"	567.22301	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-H2O-H"	-19.01839
"77579"	389.820324	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M-3H"	-3.021828
"508028"	585.234124	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M-3H"	-3.021828
"881090"	194.406524	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-3H"	-3.021828
"2096"	585.234124	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M-2H"	-2.014552
"451622"	878.354824	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M-2H"	-2.014552
"825050"	292.113424	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-2H"	-2.014552
"91603"	1171.475524	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M-H"	-1.007276
"526789"	1757.716924	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M-H"	-1.007276
"903498"	585.234124	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-H"	-1.007276
"61153"	1188.502071	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M-2H+NH4"	16.019271
"500712"	1774.743471	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M-2H+NH4"	16.019271
"871966"	602.260671	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-2H+NH4"	16.019271
"44241"	1193.457466	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M-2H+Na"	20.974666
"485871"	1779.698866	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M-2H+Na"	20.974666
"863550"	607.216066	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-2H+Na"	20.974666
"1633448"	607.216066	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Na-2H"	20.974666
"109573"	603.222463	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M-H+Cl"	33.962126
"549411"	896.343163	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M-H+Cl"	33.962126
"936366"	310.101763	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-H+Cl"	33.962126
"278205"	1207.452202	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+Cl"	34.969402
"670626"	1793.693602	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+Cl"	34.969402
"1283029"	621.210802	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Cl"	34.969402
"22305"	1209.431406	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M-2H+K"	36.948606
"469525"	1795.672806	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M-2H+K"	36.948606
"845139"	623.190006	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-2H+K"	36.948606
"1566082"	623.190006	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+K-2H"	36.948606
"956150"	631.239594	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-H+HCOOH"	44.998194
"367073"	1217.481001	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+HCOOH-H"	44.998201
"350955"	1231.496651	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+Hac-H"	59.013851
"1503068"	645.255251	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Hac-H"	59.013851
"964413"	653.221551	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-H+NaCOOH"	66.980151
"121703"	621.210802	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+2Cl"	69.938804
"564542"	914.331502	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+2Cl"	69.938804
"1036622"	328.090102	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2Cl"	69.938804
"1243442"	665.160285	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Br"	78.918885
"1305528"	667.216272	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Cl+HCOOH"	80.974872
"1321202"	689.198229	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Cl+NaCOOH"	102.956829
"917366"	699.226986	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M-H+CF3COOH"	112.985586
"1288720"	735.203664	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Cl+CF3COOH"	148.962264
"1367611"	551.228724	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H-2H2O"	-35.012676
"1387546"	569.2387	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H-H2O"	-17.0027
"297079"	1173.490076	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+H"	1.007276
"684761"	1759.731476	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+H"	1.007276
"1359285"	587.248676	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H"	1.007276
"131081"	587.248676	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+2H"	2.014552
"571736"	880.369376	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+2H"	2.014552
"1046732"	294.127976	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2H"	2.014552
"217185"	391.834876	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+3H"	3.021828
"650184"	587.248676	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+3H"	3.021828
"1169401"	196.421076	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+3H"	3.021828
"431579"	1190.516623	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+NH4"	18.033823
"788566"	1776.758023	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+NH4"	18.033823
"1686721"	604.275223	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+NH4"	18.033823
"336090"	595.7619495	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+H+NH4"	19.041099
"727428"	888.8826495	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+H+NH4"	19.041099
"1483435"	302.6412495	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H+NH4"	19.041099
"403209"	1195.472018	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+Na"	22.989218
"764203"	1781.713418	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+Na"	22.989218
"1611208"	609.230618	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Na"	22.989218
"322339"	598.239647	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+H+Na"	23.996494
"710389"	891.360347	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+H+Na"	23.996494
"1464210"	305.118947	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H+Na"	23.996494
"1059649"	203.74839	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2H+Na"	25.00377
"1265701"	619.274886	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+CH3OH+H"	33.033486
"382088"	1211.445958	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+K"	38.963158
"745267"	1797.687358	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+K"	38.963158
"1545130"	625.204558	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+K"	38.963158
"304493"	606.226617	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+H+K"	39.970434
"695825"	899.347317	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+H+K"	39.970434
"1452925"	313.105917	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H+K"	39.970434
"241526"	1214.516626	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+ACN+H"	42.033826
"1220799"	628.275226	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+ACN+H"	42.033826
"1209426"	314.641251	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+ACN+2H"	43.041102
"203024"	1217.45396	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+2Na-H"	44.97116
"638211"	1803.69536	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+2Na-H"	44.97116
"1136248"	631.21256	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2Na-H"	44.97116
"174314"	609.230618	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+2Na"	45.978436
"616913"	902.351318	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+2Na"	45.978436
"1120418"	316.109918	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2Na"	45.978436
"1405036"	211.075704	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H+2Na"	46.985712
"1437153"	633.254146	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H+HCOOH"	47.012746
"229033"	614.26364	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+3H2O+2H"	56.04448
"1514907"	647.30619	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+IsoProp+H"	61.06479
"413512"	617.217588	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+Na+K"	61.952376
"778883"	910.338288	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+Na+K"	61.952376
"1679592"	324.096888	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Na+K"	61.952376
"264287"	1236.498568	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+ACN+Na"	64.015768
"1236630"	650.257168	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+ACN+Na"	64.015768
"1718959"	650.280693	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+NH4+HCOOH"	64.039293
"1192696"	218.403018	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+3Na"	68.967654
"1664654"	655.236088	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Na+HCOOH"	68.994688
"170908"	1249.40184	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+2K-H"	76.91904
"607188"	1835.64324	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+2K-H"	76.91904
"1092792"	663.16044	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2K-H"	76.91904
"148514"	625.204558	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"2M+2K"	77.926316
"591358"	918.325258	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"3M+2K"	77.926316
"1075871"	332.083858	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2K"	77.926316
"1110174"	665.174992	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2K+H"	78.933592
"1341091"	665.262607	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+DMSO+H"	79.021207
"1011807"	669.301776	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2ACN+H"	83.060376
"1528837"	670.295408	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+IsoProp+Na+H"	84.054008
"1000755"	335.154526	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+2ACN+2H"	84.067652
"1595258"	671.210028	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+K+HCOOH"	84.968628
"1426388"	701.241538	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+H+CF3COOH"	115.000138
"1159956"	355.667801	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+3ACN+2H"	125.094202
"1707319"	718.268085	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+NH4+CF3COOH"	132.026685
"1648437"	723.22348	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+Na+CF3COOH"	136.98208
"1586275"	739.19742	"C11900"	"Baccatin III"	"C31H38O11"	"586.2414"	"M+K+CF3COOH"	152.95602
"806798"	450.1936	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M"	0
"982520"	431.17521	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H2O-H"	-19.01839
"76231"	299.121790666667	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-3H"	-3.021828
"507045"	449.186324	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-3H"	-3.021828
"880349"	149.057257333333	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-3H"	-3.021828
"1721"	449.186324	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H"	-2.014552
"449545"	674.283124	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H"	-2.014552
"826253"	224.089524	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H"	-2.014552
"89527"	899.379924	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H"	-1.007276
"527992"	1349.573524	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H"	-1.007276
"903608"	449.186324	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H"	-1.007276
"57983"	916.406471	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+NH4"	16.019271
"500822"	1366.600071	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+NH4"	16.019271
"874262"	466.212871	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+NH4"	16.019271
"43257"	921.361866	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+Na"	20.974666
"484643"	1371.555466	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+Na"	20.974666
"862447"	471.168266	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+Na"	20.974666
"1632344"	471.168266	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na-2H"	20.974666
"109234"	467.174663	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H+Cl"	33.962126
"546241"	692.271463	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H+Cl"	33.962126
"934288"	242.077863	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+Cl"	33.962126
"280500"	935.356602	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Cl"	34.969402
"667454"	1385.550202	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Cl"	34.969402
"1277670"	485.163002	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl"	34.969402
"21322"	937.335806	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+K"	36.948606
"463070"	1387.529406	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+K"	36.948606
"844154"	487.142206	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+K"	36.948606
"1566556"	487.142206	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K-2H"	36.948606
"954802"	495.191794	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+HCOOH"	44.998194
"367547"	945.385401	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+HCOOH-H"	44.998201
"351065"	959.401051	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Hac-H"	59.013851
"1503178"	509.207451	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Hac-H"	59.013851
"965252"	517.173751	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+NaCOOH"	66.980151
"121813"	485.163002	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Cl"	69.938804
"564288"	710.259802	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Cl"	69.938804
"1033453"	260.066202	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Cl"	69.938804
"1245011"	529.112485	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Br"	78.918885
"1305638"	531.168472	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+HCOOH"	80.974872
"1321312"	553.150429	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+NaCOOH"	102.956829
"916017"	563.179186	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+CF3COOH"	112.985586
"1288495"	599.155864	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+CF3COOH"	148.962264
"1367520"	415.180924	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-2H2O"	-35.012676
"1388749"	433.1909	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-H2O"	-17.0027
"296825"	901.394476	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H"	1.007276
"684141"	1351.588076	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H"	1.007276
"1357208"	451.200876	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H"	1.007276
"129369"	451.200876	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2H"	2.014552
"568566"	676.297676	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2H"	2.014552
"1046842"	226.104076	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H"	2.014552
"216931"	301.136342666667	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H"	3.021828
"650294"	451.200876	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+3H"	3.021828
"1170603"	151.071809333333	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3H"	3.021828
"429502"	918.421023	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+NH4"	18.033823
"789404"	1368.614623	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+NH4"	18.033823
"1685738"	468.227423	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4"	18.033823
"336200"	459.7141495	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+NH4"	19.041099
"729725"	684.8109495	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+NH4"	19.041099
"1484638"	234.6173495	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+NH4"	19.041099
"403319"	923.376418	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na"	22.989218
"763220"	1373.570018	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na"	22.989218
"1610225"	473.182818	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na"	22.989218
"322449"	462.191847	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+Na"	23.996494
"709406"	687.288647	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+Na"	23.996494
"1464321"	237.095047	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+Na"	23.996494
"1053918"	158.399123333333	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H+Na"	25.00377
"1261430"	483.227086	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+CH3OH+H"	33.033486
"384383"	939.350358	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+K"	38.963158
"746470"	1389.543958	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+K"	38.963158
"1544146"	489.156758	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K"	38.963158
"303510"	470.178817	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+K"	39.970434
"694842"	695.275617	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+K"	39.970434
"1450848"	245.082017	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+K"	39.970434
"240543"	942.421026	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+H"	42.033826
"1218722"	492.227426	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+H"	42.033826
"1208445"	246.617351	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+2H"	43.041102
"202769"	945.35836	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na-H"	44.97116
"639415"	1395.55196	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na-H"	44.97116
"1137452"	495.16476	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na-H"	44.97116
"176369"	473.182818	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na"	45.978436
"615929"	698.279618	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na"	45.978436
"1118342"	248.086018	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na"	45.978436
"1404053"	165.726437333333	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+2Na"	46.985712
"1437263"	497.206346	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+HCOOH"	47.012746
"228050"	478.21584	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H2O+2H"	56.04448
"1513924"	511.25839	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+H"	61.06479
"413622"	481.169788	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na+K"	61.952376
"776806"	706.266588	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na+K"	61.952376
"1680065"	256.072988	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+K"	61.952376
"257470"	964.402968	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+Na"	64.015768
"1232366"	514.209368	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+Na"	64.015768
"1716882"	514.232893	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+HCOOH"	64.039293
"1189890"	173.053751333333	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3Na"	68.967654
"1661968"	519.188288	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+HCOOH"	68.994688
"169925"	977.30624	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K-H"	76.91904
"609484"	1427.49984	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K-H"	76.91904
"1092902"	527.11264	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K-H"	76.91904
"147531"	489.156758	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K"	77.926316
"591468"	714.253558	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K"	77.926316
"1075981"	264.059958	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K"	77.926316
"1111377"	529.127192	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K+H"	78.933592
"1341201"	529.214807	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+DMSO+H"	79.021207
"1013010"	533.253976	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+H"	83.060376
"1530040"	534.247608	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+Na+H"	84.054008
"1000865"	267.130626	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+2H"	84.067652
"1595368"	535.162228	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+HCOOH"	84.968628
"1425405"	565.193738	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+CF3COOH"	115.000138
"1160066"	287.643901	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3ACN+2H"	125.094202
"1707429"	582.220285	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+CF3COOH"	132.026685
"1648547"	587.17568	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+CF3COOH"	136.98208
"1586385"	603.14962	"C11901"	"Copalyl diphosphate;()-Copalyl diphosphate;Labdadienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+CF3COOH"	152.95602
"815292"	450.1936	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M"	0
"988101"	431.17521	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H2O-H"	-19.01839
"77438"	299.121790666667	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-3H"	-3.021828
"504969"	449.186324	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-3H"	-3.021828
"883863"	149.057257333333	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-3H"	-3.021828
"6814"	449.186324	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H"	-2.014552
"450748"	674.283124	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H"	-2.014552
"827458"	224.089524	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H"	-2.014552
"88544"	899.379924	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H"	-1.007276
"530290"	1349.573524	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H"	-1.007276
"903718"	449.186324	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H"	-1.007276
"55906"	916.406471	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+NH4"	16.019271
"494374"	1366.600071	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+NH4"	16.019271
"872185"	466.212871	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+NH4"	16.019271
"44461"	921.361866	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+Na"	20.974666
"485483"	1371.555466	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+Na"	20.974666
"862556"	471.168266	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+Na"	20.974666
"1633182"	471.168266	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na-2H"	20.974666
"108253"	467.174663	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H+Cl"	33.962126
"547811"	692.271463	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H+Cl"	33.962126
"933305"	242.077863	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+Cl"	33.962126
"280246"	935.356602	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Cl"	34.969402
"667564"	1385.550202	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Cl"	34.969402
"1281060"	485.163002	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl"	34.969402
"24712"	937.335806	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+K"	36.948606
"465367"	1387.529406	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+K"	36.948606
"842805"	487.142206	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+K"	36.948606
"1566662"	487.142206	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K-2H"	36.948606
"952360"	495.191794	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+HCOOH"	44.998194
"366198"	945.385401	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+HCOOH-H"	44.998201
"351538"	959.401051	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Hac-H"	59.013851
"1500008"	509.207451	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Hac-H"	59.013851
"963904"	517.173751	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+NaCOOH"	66.980151
"112081"	485.163002	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Cl"	69.938804
"559296"	710.259802	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Cl"	69.938804
"1035386"	260.066202	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Cl"	69.938804
"1248767"	529.112485	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Br"	78.918885
"1306841"	531.168472	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+HCOOH"	80.974872
"1322516"	553.150429	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+NaCOOH"	102.956829
"915034"	563.179186	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+CF3COOH"	112.985586
"1289066"	599.155864	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+CF3COOH"	148.962264
"1367708"	415.180924	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-2H2O"	-35.012676
"1387766"	433.1909	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-H2O"	-17.0027
"297299"	901.394476	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H"	1.007276
"683158"	1351.588076	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H"	1.007276
"1357319"	451.200876	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H"	1.007276
"133489"	451.200876	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2H"	2.014552
"574143"	676.297676	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2H"	2.014552
"1052057"	226.104076	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H"	2.014552
"217769"	301.136342666667	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H"	3.021828
"654777"	451.200876	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+3H"	3.021828
"1172900"	151.071809333333	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3H"	3.021828
"432894"	918.421023	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+NH4"	18.033823
"794982"	1368.614623	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+NH4"	18.033823
"1689127"	468.227423	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4"	18.033823
"336314"	459.7141495	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+NH4"	19.041099
"737370"	684.8109495	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+NH4"	19.041099
"1485843"	234.6173495	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+NH4"	19.041099
"400148"	923.376418	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na"	22.989218
"765517"	1373.570018	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na"	22.989218
"1612521"	473.182818	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na"	22.989218
"324746"	462.191847	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+Na"	23.996494
"710609"	687.288647	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+Na"	23.996494
"1464431"	237.095047	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+Na"	23.996494
"1053016"	158.399123333333	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H+Na"	25.00377
"1259354"	483.227086	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+CH3OH+H"	33.033486
"381209"	939.350358	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+K"	38.963158
"745488"	1389.543958	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+K"	38.963158
"1544256"	489.156758	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K"	38.963158
"303621"	470.178817	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+K"	39.970434
"698232"	695.275617	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+K"	39.970434
"1453145"	245.082017	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+K"	39.970434
"240653"	942.421026	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+H"	42.033826
"1218832"	492.227426	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+H"	42.033826
"1206732"	246.617351	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+2H"	43.041102
"202149"	945.35836	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na-H"	44.97116
"637338"	1395.55196	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na-H"	44.97116
"1138656"	495.16476	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na-H"	44.97116
"175386"	473.182818	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na"	45.978436
"616039"	698.279618	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na"	45.978436
"1118451"	248.086018	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na"	45.978436
"1400880"	165.726437333333	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+2Na"	46.985712
"1437373"	497.206346	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+HCOOH"	47.012746
"229254"	478.21584	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H2O+2H"	56.04448
"1514034"	511.25839	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+H"	61.06479
"417733"	481.169788	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na+K"	61.952376
"784566"	706.266588	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na+K"	61.952376
"1679813"	256.072988	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+K"	61.952376
"263048"	964.402968	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+Na"	64.015768
"1232476"	514.209368	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+Na"	64.015768
"1720275"	514.232893	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+HCOOH"	64.039293
"1188908"	173.053751333333	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3Na"	68.967654
"1655519"	519.188288	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+HCOOH"	68.994688
"164568"	977.30624	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K-H"	76.91904
"606316"	1427.49984	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K-H"	76.91904
"1090826"	527.11264	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K-H"	76.91904
"149830"	489.156758	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K"	77.926316
"594617"	714.253558	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K"	77.926316
"1079371"	264.059958	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K"	77.926316
"1114648"	529.127192	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K+H"	78.933592
"1347873"	529.214807	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+DMSO+H"	79.021207
"1013121"	533.253976	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+H"	83.060376
"1531245"	534.247608	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+Na+H"	84.054008
"1005558"	267.130626	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+2H"	84.067652
"1598759"	535.162228	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+HCOOH"	84.968628
"1424421"	565.193738	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+CF3COOH"	115.000138
"1157988"	287.643901	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3ACN+2H"	125.094202
"1705352"	582.220285	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+CF3COOH"	132.026685
"1638816"	587.17568	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+CF3COOH"	136.98208
"1586495"	603.14962	"C11902"	"9alpha-Copalyl diphosphate;syn-Copalyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+CF3COOH"	152.95602
"814673"	538.3923	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M"	0
"987480"	519.37391	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-H2O-H"	-19.01839
"73167"	357.920924	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M-3H"	-3.021828
"505079"	537.385024	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M-3H"	-3.021828
"883973"	178.456824	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-3H"	-3.021828
"6924"	537.385024	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M-2H"	-2.014552
"450858"	806.581174	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M-2H"	-2.014552
"830848"	268.188874	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-2H"	-2.014552
"88654"	1075.777324	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M-H"	-1.007276
"529308"	1614.169624	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M-H"	-1.007276
"906015"	537.385024	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-H"	-1.007276
"57109"	1092.803871	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M-2H+NH4"	16.019271
"497765"	1631.196171	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M-2H+NH4"	16.019271
"871202"	554.411571	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-2H+NH4"	16.019271
"39103"	1097.759266	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M-2H+Na"	20.974666
"483405"	1636.151566	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M-2H+Na"	20.974666
"861569"	559.366966	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-2H+Na"	20.974666
"1629279"	559.366966	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Na-2H"	20.974666
"102527"	555.373363	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M-H+Cl"	33.962126
"536620"	824.569513	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M-H+Cl"	33.962126
"927142"	286.177213	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-H+Cl"	33.962126
"270878"	1111.754002	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+Cl"	34.969402
"660420"	1650.146302	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+Cl"	34.969402
"1274610"	573.361702	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Cl"	34.969402
"23729"	1113.733206	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M-2H+K"	36.948606
"466571"	1652.125506	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M-2H+K"	36.948606
"843280"	575.340906	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-2H+K"	36.948606
"1565678"	575.340906	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+K-2H"	36.948606
"950283"	583.390494	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-H+HCOOH"	44.998194
"365579"	1121.782801	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+HCOOH-H"	44.998201
"349461"	1135.798451	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+Hac-H"	59.013851
"1497566"	597.406151	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Hac-H"	59.013851
"964014"	605.372451	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-H+NaCOOH"	66.980151
"113286"	573.361702	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+2Cl"	69.938804
"558313"	842.557852	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+2Cl"	69.938804
"1031487"	304.165552	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2Cl"	69.938804
"1248148"	617.311185	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Br"	78.918885
"1306223"	619.367172	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Cl+HCOOH"	80.974872
"1322261"	641.349129	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Cl+NaCOOH"	102.956829
"913806"	651.377886	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M-H+CF3COOH"	112.985586
"1290878"	687.354564	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Cl+CF3COOH"	148.962264
"1367698"	503.379624	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H-2H2O"	-35.012676
"1388969"	521.3896	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H-H2O"	-17.0027
"297409"	1077.791876	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+H"	1.007276
"681081"	1616.184176	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+H"	1.007276
"1358523"	539.399576	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H"	1.007276
"136152"	539.399576	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+2H"	2.014552
"575712"	808.595726	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+2H"	2.014552
"1047428"	270.203426	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2H"	2.014552
"217881"	359.935476	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+3H"	3.021828
"650515"	539.399576	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+3H"	3.021828
"1174106"	180.471376	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+3H"	3.021828
"430817"	1094.818423	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+NH4"	18.033823
"793998"	1633.210723	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+NH4"	18.033823
"1688144"	556.426123	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+NH4"	18.033823
"335330"	547.9128495	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+H+NH4"	19.041099
"735416"	817.1089995	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+H+NH4"	19.041099
"1487048"	278.7166995	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H+NH4"	19.041099
"401351"	1099.773818	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+Na"	22.989218
"765626"	1638.166118	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+Na"	22.989218
"1609352"	561.381518	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Na"	22.989218
"320481"	550.390547	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+H+Na"	23.996494
"714000"	819.586697	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+H+Na"	23.996494
"1466728"	281.194397	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H+Na"	23.996494
"1054504"	187.79869	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2H+Na"	25.00377
"1262745"	571.425786	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+CH3OH+H"	33.033486
"386786"	1115.747758	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+K"	38.963158
"745598"	1654.140058	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+K"	38.963158
"1547647"	577.355458	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+K"	38.963158
"303732"	558.377517	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+H+K"	39.970434
"702716"	827.573667	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+H+K"	39.970434
"1453255"	289.181367	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H+K"	39.970434
"245137"	1118.818426	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+ACN+H"	42.033826
"1221129"	580.426126	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+ACN+H"	42.033826
"1207563"	290.716701	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+ACN+2H"	43.041102
"202258"	1121.75576	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+2Na-H"	44.97116
"636353"	1660.14806	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+2Na-H"	44.97116
"1137673"	583.36346	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2Na-H"	44.97116
"176589"	561.381518	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+2Na"	45.978436
"617240"	830.577668	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+2Na"	45.978436
"1121839"	292.185368	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2Na"	45.978436
"1402082"	195.126004	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H+2Na"	46.985712
"1434201"	585.405046	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H+HCOOH"	47.012746
"227177"	566.41454	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+3H2O+2H"	56.04448
"1517060"	599.45709	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+IsoProp+H"	61.06479
"414927"	569.368488	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+Na+K"	61.952376
"783946"	838.564638	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+Na+K"	61.952376
"1672263"	300.172338	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Na+K"	61.952376
"253313"	1140.800368	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+ACN+Na"	64.015768
"1236593"	602.408068	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+ACN+Na"	64.015768
"1717104"	602.431593	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+NH4+HCOOH"	64.039293
"1183552"	202.453318	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+3Na"	68.967654
"1657815"	607.386988	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Na+HCOOH"	68.994688
"165770"	1153.70364	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+2K-H"	76.91904
"604239"	1692.09594	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+2K-H"	76.91904
"1090936"	615.31134	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2K-H"	76.91904
"148847"	577.355458	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"2M+2K"	77.926316
"591689"	846.551608	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"3M+2K"	77.926316
"1080574"	308.159308	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2K"	77.926316
"1113665"	617.325892	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2K+H"	78.933592
"1347983"	617.413507	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+DMSO+H"	79.021207
"1009951"	621.452676	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2ACN+H"	83.060376
"1532449"	622.446308	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+IsoProp+Na+H"	84.054008
"1004858"	311.229976	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+2ACN+2H"	84.067652
"1597776"	623.360928	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+K+HCOOH"	84.968628
"1425625"	653.392438	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+H+CF3COOH"	115.000138
"1160285"	331.743251	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+3ACN+2H"	125.094202
"1705462"	670.418985	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+NH4+CF3COOH"	132.026685
"1648767"	675.37438	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+Na+CF3COOH"	136.98208
"1576764"	691.34832	"C11903"	"Methanophenazine;2-(23-Dihydro-all-trans-pentaprenyloxy)phenazine;2-(23-Dihydropentaprenyloxy)phenazine"	"C37H50N2O"	"538.3923"	"M+K+CF3COOH"	152.95602
"812598"	540.408	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M"	0
"987225"	521.38961	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-H2O-H"	-19.01839
"69997"	359.264724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M-3H"	-3.021828
"506284"	539.400724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M-3H"	-3.021828
"881898"	179.128724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-3H"	-3.021828
"8128"	539.400724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M-2H"	-2.014552
"449877"	809.604724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M-2H"	-2.014552
"822210"	269.196724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-2H"	-2.014552
"86577"	1079.808724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M-H"	-1.007276
"530514"	1620.216724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M-H"	-1.007276
"908314"	539.400724	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-H"	-1.007276
"58316"	1096.835271	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M-2H+NH4"	16.019271
"498970"	1637.243271	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M-2H+NH4"	16.019271
"872405"	556.427271	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-2H+NH4"	16.019271
"40306"	1101.790666	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M-2H+Na"	20.974666
"483880"	1642.198666	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M-2H+Na"	20.974666
"858762"	561.382666	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-2H+Na"	20.974666
"1626109"	561.382666	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Na-2H"	20.974666
"102637"	557.389063	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M-H+Cl"	33.962126
"543290"	827.593063	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M-H+Cl"	33.962126
"928299"	287.185063	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-H+Cl"	33.962126
"274268"	1115.785402	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+Cl"	34.969402
"661223"	1656.193402	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+Cl"	34.969402
"1274720"	575.377402	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Cl"	34.969402
"28943"	1117.764606	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M-2H+K"	36.948606
"464494"	1658.172606	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M-2H+K"	36.948606
"841203"	577.356606	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-2H+K"	36.948606
"1563600"	577.356606	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+K-2H"	36.948606
"950393"	585.406194	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-H+HCOOH"	44.998194
"366418"	1125.814201	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+HCOOH-H"	44.998201
"349207"	1139.829851	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+Hac-H"	59.013851
"1503509"	599.421851	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Hac-H"	59.013851
"964125"	607.388151	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-H+NaCOOH"	66.980151
"111938"	575.377402	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+2Cl"	69.938804
"558426"	845.581402	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+2Cl"	69.938804
"1030505"	305.173402	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2Cl"	69.938804
"1250081"	619.326885	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Br"	78.918885
"1308156"	621.382872	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Cl+HCOOH"	80.974872
"1320099"	643.364829	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Cl+NaCOOH"	102.956829
"913431"	653.393586	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M-H+CF3COOH"	112.985586
"1289896"	689.370264	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Cl+CF3COOH"	148.962264
"1367442"	505.395324	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H-2H2O"	-35.012676
"1389079"	523.4053	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H-H2O"	-17.0027
"288771"	1081.823276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+H"	1.007276
"680097"	1622.231276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+H"	1.007276
"1358269"	541.415276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H"	1.007276
"133710"	541.415276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+2H"	2.014552
"573999"	811.619276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+2H"	2.014552
"1047538"	271.211276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2H"	2.014552
"214343"	361.279276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+3H"	3.021828
"651717"	541.415276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+3H"	3.021828
"1174215"	181.143276	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+3H"	3.021828
"429835"	1098.849823	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+NH4"	18.033823
"790830"	1639.257823	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+NH4"	18.033823
"1691534"	558.441823	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+NH4"	18.033823
"335438"	549.9285495	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+H+NH4"	19.041099
"733328"	820.1325495	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+H+NH4"	19.041099
"1490074"	279.7245495	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H+NH4"	19.041099
"400368"	1103.805218	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+Na"	22.989218
"765736"	1644.213218	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+Na"	22.989218
"1608369"	563.397218	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Na"	22.989218
"319498"	552.406247	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+H+Na"	23.996494
"714110"	822.610247	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+H+Na"	23.996494
"1467932"	282.202247	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H+Na"	23.996494
"1058988"	188.47059	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2H+Na"	25.00377
"1263949"	573.441486	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+CH3OH+H"	33.033486
"389083"	1119.779158	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+K"	38.963158
"746801"	1660.187158	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+K"	38.963158
"1544478"	579.371158	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+K"	38.963158
"307123"	560.393217	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+H+K"	39.970434
"702826"	830.597217	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+H+K"	39.970434
"1456646"	290.189217	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H+K"	39.970434
"245246"	1122.849826	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+ACN+H"	42.033826
"1220145"	582.441826	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+ACN+H"	42.033826
"1201841"	291.724551	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+ACN+2H"	43.041102
"200182"	1125.78716	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+2Na-H"	44.97116
"635368"	1666.19516	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+2Na-H"	44.97116
"1139969"	585.37916	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2Na-H"	44.97116
"175605"	563.397218	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+2Na"	45.978436
"616260"	833.601218	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+2Na"	45.978436
"1121953"	293.193218	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2Na"	45.978436
"1402195"	195.797904	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H+2Na"	46.985712
"1434311"	587.420746	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H+HCOOH"	47.012746
"225102"	568.43024	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+3H2O+2H"	56.04448
"1518630"	601.47279	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+IsoProp+H"	61.06479
"418318"	571.384188	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+Na+K"	61.952376
"783327"	841.588188	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+Na+K"	61.952376
"1672373"	301.180188	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Na+K"	61.952376
"253424"	1144.831768	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+ACN+Na"	64.015768
"1238890"	604.423768	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+ACN+Na"	64.015768
"1719402"	604.447293	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+NH4+HCOOH"	64.039293
"1185847"	203.125218	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+3Na"	68.967654
"1661207"	609.402688	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Na+HCOOH"	68.994688
"169162"	1157.73504	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+2K-H"	76.91904
"608722"	1698.14304	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+2K-H"	76.91904
"1097606"	617.32704	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2K-H"	76.91904
"151143"	579.371158	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"2M+2K"	77.926316
"594959"	849.575158	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"3M+2K"	77.926316
"1080685"	309.167158	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2K"	77.926316
"1114140"	619.341592	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2K+H"	78.933592
"1349917"	619.429207	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+DMSO+H"	79.021207
"1014435"	623.468376	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2ACN+H"	83.060376
"1533654"	624.462008	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+IsoProp+Na+H"	84.054008
"1003383"	312.237826	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+2ACN+2H"	84.067652
"1598979"	625.376628	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+K+HCOOH"	84.968628
"1420265"	655.408138	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+H+CF3COOH"	115.000138
"1154927"	332.751101	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+3ACN+2H"	125.094202
"1705572"	672.434685	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+NH4+CF3COOH"	132.026685
"1648513"	677.39008	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+Na+CF3COOH"	136.98208
"1586715"	693.36402	"C11904"	"Dihydromethanophenazine;2-(Dihydropentaprenyloxy)-dihydrophenazine"	"C37H52N2O"	"540.408"	"M+K+CF3COOH"	152.95602
"807238"	332.1988	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M"	0
"982959"	313.18041	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"73387"	220.458590666667	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"503112"	331.191524	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"882008"	109.725657333333	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"8238"	331.191524	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"451080"	497.290924	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"822320"	165.092124	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"88873"	663.390324	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"530623"	995.589124	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"908424"	331.191524	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"58426"	680.416871	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"500173"	1012.615671	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"872515"	348.218071	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"43332"	685.372266	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"485447"	1017.571066	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"862152"	353.173466	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1629499"	353.173466	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"102747"	349.179863	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"543400"	515.279263	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"928409"	183.080463	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"274378"	699.367002	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"661454"	1031.565802	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1274951"	367.168202	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"26136"	701.346206	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"465697"	1033.545006	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"842405"	369.147406	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1562616"	369.147406	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"951596"	377.196994	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"366528"	709.395801	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"349681"	723.411451	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1500703"	391.212651	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"959981"	399.178951	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"112412"	367.168202	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"558535"	533.267602	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1027699"	201.068802	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1243263"	411.117685	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1306078"	413.173672	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1320651"	435.155629	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"912810"	445.184386	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1288557"	481.161064	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1367389"	297.186124	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1389189"	315.1961	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"287787"	665.404876	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"678021"	997.603676	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1358743"	333.206076	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"130540"	333.206076	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"573380"	499.305476	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1043272"	167.106676	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"218099"	222.473142666667	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"658022"	333.206076	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1176877"	111.740209333333	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"427757"	682.431423	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"794218"	1014.630223	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1691643"	350.232623	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"335548"	341.7193495	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"730157"	507.8187495	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1488360"	175.6199495	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"397198"	687.386818	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"762566"	1019.585618	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1608479"	355.188018	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"319972"	344.197047	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"714220"	510.296447	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1468042"	178.097647	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1062379"	119.067523333333	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1262236"	365.232286	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"384821"	703.360758	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"742538"	1035.559558	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1543130"	371.161958	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"306140"	352.184017	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"699656"	518.283417	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1453476"	186.084617	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"247544"	706.431426	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1219162"	374.232626	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1201951"	187.619951	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"199199"	709.36876	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"638760"	1041.56756	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1140080"	377.16996	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"178995"	355.188018	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"618557"	521.287418	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1122063"	189.088618	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1405584"	126.394837333333	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1436607"	379.211546	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"227399"	360.22104	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1519470"	393.26359	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"417335"	363.174988	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"784166"	529.274388	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1673576"	197.075588	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"256814"	728.413368	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1240096"	396.214568	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1720604"	396.238093	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1188145"	133.722151333333	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1662410"	401.193488	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"167085"	741.31664	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"608831"	1073.51544	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1096623"	409.11784	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"151253"	371.161958	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"595070"	537.261358	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1081889"	205.062558	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1106351"	411.132392	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1347109"	411.220007	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1016732"	415.259176	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1533763"	416.252808	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"1002400"	208.133226	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1597996"	417.167428	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1421468"	447.198938	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1155037"	228.646501	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1705682"	464.225485	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1648623"	469.18088	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1586825"	485.15482	"C11905"	"Gibberellin A53 aldehyde"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"807348"	129.9012	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M"	0
"983069"	110.88281	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-H2O-H"	-19.01839
"68029"	85.593524	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M-3H"	-3.021828
"505411"	128.893924	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M-3H"	-3.021828
"886494"	42.293124	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-3H"	-3.021828
"8348"	128.893924	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M-2H"	-2.014552
"450097"	193.844524	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M-2H"	-2.014552
"823523"	63.943324	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-2H"	-2.014552
"86800"	258.795124	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M-H"	-1.007276
"527455"	388.696324	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M-H"	-1.007276
"901974"	128.893924	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-H"	-1.007276
"57446"	275.821671	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M-2H+NH4"	16.019271
"491539"	405.722871	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M-2H+NH4"	16.019271
"869345"	145.920471	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-2H+NH4"	16.019271
"43442"	280.777066	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M-2H+Na"	20.974666
"486286"	410.678266	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M-2H+Na"	20.974666
"858983"	150.875866	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-2H+Na"	20.974666
"1626329"	150.875866	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Na-2H"	20.974666
"103951"	146.882263	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M-H+Cl"	33.962126
"543510"	211.832863	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M-H+Cl"	33.962126
"933744"	81.931663	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-H+Cl"	33.962126
"271209"	294.771802	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+Cl"	34.969402
"664723"	424.673002	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+Cl"	34.969402
"1275304"	164.870602	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Cl"	34.969402
"26246"	296.751006	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M-2H+K"	36.948606
"465807"	426.652206	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M-2H+K"	36.948606
"843609"	166.849806	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-2H+K"	36.948606
"1566008"	166.849806	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+K-2H"	36.948606
"954986"	174.899394	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-H+HCOOH"	44.998194
"365546"	304.800601	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+HCOOH-H"	44.998201
"349062"	318.816251	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+Hac-H"	59.013851
"1501543"	188.915051	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Hac-H"	59.013851
"962524"	196.881351	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-H+NaCOOH"	66.980151
"115440"	164.870602	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+2Cl"	69.938804
"557552"	229.821202	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+2Cl"	69.938804
"1026715"	99.920002	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2Cl"	69.938804
"1241672"	208.820085	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Br"	78.918885
"1307281"	210.876072	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Cl+HCOOH"	80.974872
"1321133"	232.858029	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Cl+NaCOOH"	102.956829
"912556"	242.886786	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M-H+CF3COOH"	112.985586
"1288898"	278.863464	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Cl+CF3COOH"	148.962264
"1367788"	94.888524	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H-2H2O"	-35.012676
"1388206"	112.8985	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H-H2O"	-17.0027
"291908"	260.809676	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+H"	1.007276
"678496"	390.710876	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+H"	1.007276
"1358125"	130.908476	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H"	1.007276
"132838"	130.908476	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+2H"	2.014552
"576772"	195.859076	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+2H"	2.014552
"1047757"	65.957876	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2H"	2.014552
"217481"	87.608076	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+3H"	3.021828
"657404"	130.908476	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+3H"	3.021828
"1174435"	44.307676	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+3H"	3.021828
"428961"	277.836223	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+NH4"	18.033823
"792142"	407.737423	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+NH4"	18.033823
"1691753"	147.935023	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+NH4"	18.033823
"335658"	139.4217495	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+H+NH4"	19.041099
"732820"	204.3723495	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+H+NH4"	19.041099
"1487376"	74.4711495	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H+NH4"	19.041099
"399494"	282.791618	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+Na"	22.989218
"760489"	412.692818	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+Na"	22.989218
"1610773"	152.890418	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Na"	22.989218
"317895"	141.899447	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+H+Na"	23.996494
"716153"	206.850047	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+H+Na"	23.996494
"1470339"	76.948847	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H+Na"	23.996494
"1062125"	51.63499	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2H+Na"	25.00377
"1264171"	162.934686	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+CH3OH+H"	33.033486
"388941"	298.765558	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+K"	38.963158
"748842"	428.666758	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+K"	38.963158
"1546884"	168.864358	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+K"	38.963158
"305153"	149.886417	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+H+K"	39.970434
"699763"	214.837017	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+H+K"	39.970434
"1452492"	84.935817	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H+K"	39.970434
"243282"	301.836226	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+ACN+H"	42.033826
"1218179"	171.935026	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+ACN+H"	42.033826
"1202063"	86.471151	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+ACN+2H"	43.041102
"196029"	304.77356	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+2Na-H"	44.97116
"637776"	434.67476	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+2Na-H"	44.97116
"1140189"	174.87236	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2Na-H"	44.97116
"180199"	152.890418	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+2Na"	45.978436
"616480"	217.841018	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+2Na"	45.978436
"1124361"	87.939818	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2Na"	45.978436
"1402416"	58.962304	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H+2Na"	46.985712
"1436718"	176.913946	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H+HCOOH"	47.012746
"227509"	157.92344	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+3H2O+2H"	56.04448
"1521404"	190.96599	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+IsoProp+H"	61.06479
"417445"	160.877388	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+Na+K"	61.952376
"782820"	225.827988	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+Na+K"	61.952376
"1676960"	95.926788	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Na+K"	61.952376
"254000"	323.818168	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+ACN+Na"	64.015768
"1232907"	193.916968	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+ACN+Na"	64.015768
"1723994"	193.940493	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+NH4+HCOOH"	64.039293
"1191534"	66.289618	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+3Na"	68.967654
"1663613"	198.895888	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Na+HCOOH"	68.994688
"170476"	336.72144	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+2K-H"	76.91904
"610035"	466.62264	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+2K-H"	76.91904
"1098923"	206.82024	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2K-H"	76.91904
"157040"	168.864358	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"2M+2K"	77.926316
"593116"	233.814958	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"3M+2K"	77.926316
"1080907"	103.913758	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2K"	77.926316
"1113995"	208.834792	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2K+H"	78.933592
"1349408"	208.922407	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+DMSO+H"	79.021207
"1017937"	212.961576	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2ACN+H"	83.060376
"1532781"	213.955208	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+IsoProp+Na+H"	84.054008
"1002510"	106.984426	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+2ACN+2H"	84.067652
"1598106"	214.869828	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+K+HCOOH"	84.968628
"1421578"	244.901338	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+H+CF3COOH"	115.000138
"1154054"	127.497701	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+3ACN+2H"	125.094202
"1705792"	261.927885	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+NH4+CF3COOH"	132.026685
"1648733"	266.88328	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+Na+CF3COOH"	136.98208
"1586935"	282.85722	"C11906"	"Sodium arsenite;Sodium dioxoarsenate"	"NaAsO2"	"129.9012"	"M+K+CF3COOH"	152.95602
"807458"	546.0652	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M"	0
"983179"	527.04681	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-H2O-H"	-19.01839
"68139"	363.036190666667	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M-3H"	-3.021828
"505521"	545.057924	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M-3H"	-3.021828
"886604"	181.014457333333	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-3H"	-3.021828
"4086"	545.057924	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M-2H"	-2.014552
"446927"	818.090524	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M-2H"	-2.014552
"823636"	272.025324	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-2H"	-2.014552
"80349"	1091.123124	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M-H"	-1.007276
"521003"	1637.188324	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M-H"	-1.007276
"898805"	545.057924	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-H"	-1.007276
"48806"	1108.149671	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+NH4"	16.019271
"489462"	1654.214871	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+NH4"	16.019271
"869455"	562.084471	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-2H+NH4"	16.019271
"43552"	1113.105066	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+Na"	20.974666
"485303"	1659.170266	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+Na"	20.974666
"859093"	567.039866	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-2H+Na"	20.974666
"1626439"	567.039866	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Na-2H"	20.974666
"101875"	563.046263	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M-H+Cl"	33.962126
"539248"	836.078863	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M-H+Cl"	33.962126
"927492"	290.013663	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-H+Cl"	33.962126
"273506"	1127.099802	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+Cl"	34.969402
"661553"	1673.165002	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+Cl"	34.969402
"1273102"	581.034602	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Cl"	34.969402
"15928"	1129.079006	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+K"	36.948606
"455731"	1675.144206	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+K"	36.948606
"834243"	583.013806	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-2H+K"	36.948606
"1566118"	583.013806	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+K-2H"	36.948606
"951816"	591.063394	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-H+HCOOH"	44.998194
"366750"	1137.128601	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+HCOOH-H"	44.998201
"348081"	1151.144251	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+Hac-H"	59.013851
"1501653"	605.079051	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Hac-H"	59.013851
"962634"	613.045351	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-H+NaCOOH"	66.980151
"115186"	581.034602	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+2Cl"	69.938804
"557662"	854.067202	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+2Cl"	69.938804
"1027189"	308.002002	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2Cl"	69.938804
"1241403"	624.984085	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Br"	78.918885
"1307757"	627.040072	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+HCOOH"	80.974872
"1319903"	649.022029	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+NaCOOH"	102.956829
"911938"	659.050786	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M-H+CF3COOH"	112.985586
"1288516"	695.027464	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+CF3COOH"	148.962264
"1367141"	511.052524	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H-2H2O"	-35.012676
"1386494"	529.0625	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H-H2O"	-17.0027
"292018"	1093.137676	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+H"	1.007276
"679336"	1639.202876	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+H"	1.007276
"1358963"	547.072476	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H"	1.007276
"135135"	547.072476	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+2H"	2.014552
"577975"	820.105076	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+2H"	2.014552
"1048595"	274.039876	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2H"	2.014552
"215768"	365.050742666667	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+3H"	3.021828
"652047"	547.072476	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+3H"	3.021828
"1173453"	183.029009333333	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+3H"	3.021828
"430164"	1110.164223	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+NH4"	18.033823
"792252"	1656.229423	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+NH4"	18.033823
"1691863"	564.099023	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+NH4"	18.033823
"339415"	555.5857495	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+H+NH4"	19.041099
"732566"	828.6183495	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+H+NH4"	19.041099
"1487486"	282.5531495	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H+NH4"	19.041099
"399604"	1115.119618	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+Na"	22.989218
"760599"	1661.184818	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+Na"	22.989218
"1613069"	569.054418	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Na"	22.989218
"316912"	558.063447	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+H+Na"	23.996494
"714441"	831.096047	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+H+Na"	23.996494
"1468263"	285.030847	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H+Na"	23.996494
"1056403"	190.356323333333	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2H+Na"	25.00377
"1262094"	579.098686	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+CH3OH+H"	33.033486
"382854"	1131.093558	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+K"	38.963158
"749316"	1677.158758	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+K"	38.963158
"1547723"	585.028358	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+K"	38.963158
"305263"	566.050417	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+H+K"	39.970434
"697685"	839.083017	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+H+K"	39.970434
"1450416"	293.017817	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H+K"	39.970434
"241204"	1134.164226	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+H"	42.033826
"1217196"	588.099026	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+H"	42.033826
"1198892"	294.553151	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+2H"	43.041102
"192858"	1137.10156	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na-H"	44.97116
"631323"	1683.16676	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na-H"	44.97116
"1135925"	591.03636	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2Na-H"	44.97116
"177029"	569.054418	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na"	45.978436
"617683"	842.087018	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na"	45.978436
"1117057"	296.021818	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2Na"	45.978436
"1400581"	197.683637333333	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H+2Na"	46.985712
"1430631"	593.077946	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H+HCOOH"	47.012746
"222393"	574.08744	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+3H2O+2H"	56.04448
"1515679"	607.12999	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+H"	61.06479
"415367"	577.041388	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+Na+K"	61.952376
"783294"	850.073988	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+Na+K"	61.952376
"1673787"	304.008788	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Na+K"	61.952376
"254839"	1156.146168	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+Na"	64.015768
"1234110"	610.080968	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+Na"	64.015768
"1725196"	610.104493	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+HCOOH"	64.039293
"1188363"	205.010951333333	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+3Na"	68.967654
"1660442"	615.059888	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Na+HCOOH"	68.994688
"167304"	1169.04944	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+2K-H"	76.91904
"606864"	1715.11464	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+2K-H"	76.91904
"1098547"	622.98424	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2K-H"	76.91904
"151473"	585.028358	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"2M+2K"	77.926316
"594316"	858.060958	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"3M+2K"	77.926316
"1078829"	311.995758	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2K"	77.926316
"1105475"	624.998792	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2K+H"	78.933592
"1344049"	625.086407	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+DMSO+H"	79.021207
"1014765"	629.125576	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+H"	83.060376
"1532891"	630.119208	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+Na+H"	84.054008
"997152"	315.066426	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+2H"	84.067652
"1593841"	631.033828	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+K+HCOOH"	84.968628
"1423876"	661.065338	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+H+CF3COOH"	115.000138
"1151977"	335.579701	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+3ACN+2H"	125.094202
"1704807"	678.091885	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+CF3COOH"	132.026685
"1639366"	683.04728	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+Na+CF3COOH"	136.98208
"1577204"	699.02122	"C11907"	"dTDP-4-oxo-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-4-oxo-6-deoxy-alpha-D-glucose;dTDP-4-dehydro-6-deoxy-alpha-D-galactose;dTDP-4-dehydro-6-deoxy-D-galactose;dTDP-6-deoxy-D-xylo-hexos-4-ulose;dTDP-6-deoxy-D-xylo-4-hexulose;46-Dideoxy-4-oxo-dTDP-D-glucose"	"C16H24N2O15P2"	"546.0652"	"M+K+CF3COOH"	152.95602
"807568"	546.0652	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M"	0
"977089"	527.04681	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H2O-H"	-19.01839
"70436"	363.036190666667	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-3H"	-3.021828
"505631"	545.057924	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-3H"	-3.021828
"883434"	181.014457333333	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-3H"	-3.021828
"5289"	545.057924	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H"	-2.014552
"449223"	818.090524	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H"	-2.014552
"821560"	272.025324	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H"	-2.014552
"81553"	1091.123124	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-H"	-1.007276
"522207"	1637.188324	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-H"	-1.007276
"898914"	545.057924	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H"	-1.007276
"48916"	1108.149671	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+NH4"	16.019271
"489571"	1654.214871	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+NH4"	16.019271
"864573"	562.084471	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+NH4"	16.019271
"44026"	1113.105066	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+Na"	20.974666
"485048"	1659.170266	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+Na"	20.974666
"861755"	567.039866	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+Na"	20.974666
"1626549"	567.039866	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na-2H"	20.974666
"101985"	563.046263	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-H+Cl"	33.962126
"540451"	836.078863	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-H+Cl"	33.962126
"928498"	290.013663	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+Cl"	33.962126
"273616"	1127.099802	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Cl"	34.969402
"661905"	1673.165002	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+Cl"	34.969402
"1274551"	581.034602	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl"	34.969402
"17353"	1129.079006	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+K"	36.948606
"456914"	1675.144206	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+K"	36.948606
"835083"	583.013806	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+K"	36.948606
"1566228"	583.013806	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K-2H"	36.948606
"953019"	591.063394	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+HCOOH"	44.998194
"365767"	1137.128601	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+HCOOH-H"	44.998201
"350743"	1151.144251	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Hac-H"	59.013851
"1503950"	605.079051	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Hac-H"	59.013851
"963108"	613.045351	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+NaCOOH"	66.980151
"118212"	581.034602	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Cl"	69.938804
"557772"	854.067202	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Cl"	69.938804
"1027299"	308.002002	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2Cl"	69.938804
"1243230"	624.984085	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Br"	78.918885
"1308595"	627.040072	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+HCOOH"	80.974872
"1320498"	649.022029	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+NaCOOH"	102.956829
"912166"	659.050786	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+CF3COOH"	112.985586
"1289846"	695.027464	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+CF3COOH"	148.962264
"1369103"	511.052524	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H-2H2O"	-35.012676
"1385875"	529.0625	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H-H2O"	-17.0027
"294679"	1093.137676	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H"	1.007276
"682726"	1639.202876	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H"	1.007276
"1357980"	547.072476	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H"	1.007276
"136337"	547.072476	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2H"	2.014552
"578084"	820.105076	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2H"	2.014552
"1045789"	274.039876	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2H"	2.014552
"213690"	365.050742666667	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+3H"	3.021828
"648877"	547.072476	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+3H"	3.021828
"1170283"	183.029009333333	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+3H"	3.021828
"429181"	1110.164223	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+NH4"	18.033823
"793455"	1656.229423	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+NH4"	18.033823
"1690880"	564.099023	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4"	18.033823
"338067"	555.5857495	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+NH4"	19.041099
"731582"	828.6183495	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+NH4"	19.041099
"1486503"	282.5531495	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+NH4"	19.041099
"402994"	1115.119618	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Na"	22.989218
"766177"	1661.184818	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+Na"	22.989218
"1613180"	569.054418	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na"	22.989218
"324312"	558.063447	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+Na"	23.996494
"711996"	831.096047	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+Na"	23.996494
"1464721"	285.030847	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+Na"	23.996494
"1057970"	190.356323333333	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2H+Na"	25.00377
"1263297"	579.098686	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+CH3OH+H"	33.033486
"381870"	1131.093558	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+K"	38.963158
"747239"	1677.158758	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+K"	38.963158
"1548197"	585.028358	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K"	38.963158
"304280"	566.050417	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+K"	39.970434
"696702"	839.083017	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+K"	39.970434
"1447608"	293.017817	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+K"	39.970434
"242407"	1134.164226	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+H"	42.033826
"1217306"	588.099026	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+H"	42.033826
"1200095"	294.553151	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+2H"	43.041102
"191874"	1137.10156	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na-H"	44.97116
"632527"	1683.16676	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na-H"	44.97116
"1138222"	591.03636	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2Na-H"	44.97116
"180419"	569.054418	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na"	45.978436
"617793"	842.087018	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na"	45.978436
"1116316"	296.021818	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2Na"	45.978436
"1400449"	197.683637333333	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+2Na"	46.985712
"1431470"	593.077946	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+HCOOH"	47.012746
"220558"	574.08744	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+3H2O+2H"	56.04448
"1514696"	607.12999	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+H"	61.06479
"415477"	577.041388	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Na+K"	61.952376
"782675"	850.073988	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+Na+K"	61.952376
"1669525"	304.008788	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+K"	61.952376
"252763"	1156.146168	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+Na"	64.015768
"1230941"	610.080968	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+Na"	64.015768
"1723118"	610.104493	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+HCOOH"	64.039293
"1188473"	205.010951333333	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+3Na"	68.967654
"1661645"	615.059888	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+HCOOH"	68.994688
"167414"	1169.04944	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2K-H"	76.91904
"609527"	1715.11464	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2K-H"	76.91904
"1094765"	622.98424	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2K-H"	76.91904
"151583"	585.028358	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2K"	77.926316
"592237"	858.060958	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2K"	77.926316
"1078937"	311.995758	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2K"	77.926316
"1111053"	624.998792	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2K+H"	78.933592
"1345252"	625.086407	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+DMSO+H"	79.021207
"1017061"	629.125576	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+H"	83.060376
"1535187"	630.119208	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+Na+H"	84.054008
"1000542"	315.066426	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+2H"	84.067652
"1593951"	631.033828	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K+HCOOH"	84.968628
"1422893"	661.065338	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+CF3COOH"	115.000138
"1155367"	335.579701	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+3ACN+2H"	125.094202
"1704917"	678.091885	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+CF3COOH"	132.026685
"1639476"	683.04728	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+CF3COOH"	136.98208
"1577314"	699.02122	"C11908"	"36-Dideoxy-3-oxo-dTDP-D-glucose;dTDP-3-oxo-6-deoxy-D-glucose;dTDP-3-oxo-6-deoxy-alpha-D-glucose;dTDP-3-dehydro-6-deoxy-alpha-D-glucopyranose;dTDP-6-deoxy-D-ribo-hexos-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K+CF3COOH"	152.95602
"807678"	530.0703	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M"	0
"982303"	511.05191	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-H2O-H"	-19.01839
"73826"	352.372924	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M-3H"	-3.021828
"505741"	529.063024	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M-3H"	-3.021828
"883544"	175.682824	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-3H"	-3.021828
"4306"	529.063024	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M-2H"	-2.014552
"448240"	794.098174	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M-2H"	-2.014552
"821671"	264.027874	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-2H"	-2.014552
"83850"	1059.133324	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M-H"	-1.007276
"521224"	1589.203624	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M-H"	-1.007276
"898052"	529.063024	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-H"	-1.007276
"47803"	1076.159871	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+NH4"	16.019271
"488099"	1606.230171	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+NH4"	16.019271
"864727"	546.089571	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-2H+NH4"	16.019271
"32466"	1081.115266	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+Na"	20.974666
"485158"	1611.185566	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+Na"	20.974666
"859313"	551.044966	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-2H+Na"	20.974666
"1626659"	551.044966	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Na-2H"	20.974666
"101002"	547.051363	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M-H+Cl"	33.962126
"544936"	812.086513	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M-H+Cl"	33.962126
"930795"	282.016213	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-H+Cl"	33.962126
"271539"	1095.110002	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+Cl"	34.969402
"665053"	1625.180302	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+Cl"	34.969402
"1275270"	565.039702	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Cl"	34.969402
"20379"	1097.089206	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+K"	36.948606
"459576"	1627.159506	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+K"	36.948606
"836286"	567.018906	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-2H+K"	36.948606
"1560871"	567.018906	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+K-2H"	36.948606
"949849"	575.068494	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-H+HCOOH"	44.998194
"365877"	1105.138801	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+HCOOH-H"	44.998201
"350123"	1119.154451	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+Hac-H"	59.013851
"1498593"	589.084151	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Hac-H"	59.013851
"962854"	597.050451	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-H+NaCOOH"	66.980151
"111880"	565.039702	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+2Cl"	69.938804
"552777"	830.074852	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+2Cl"	69.938804
"1025222"	300.004552	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2Cl"	69.938804
"1243705"	608.989185	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Br"	78.918885
"1307975"	611.045172	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+HCOOH"	80.974872
"1320000"	633.027129	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+NaCOOH"	102.956829
"912155"	643.055886	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M-H+CF3COOH"	112.985586
"1289959"	679.032564	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+CF3COOH"	148.962264
"1369213"	495.057624	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H-2H2O"	-35.012676
"1386349"	513.0676	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H-H2O"	-17.0027
"298030"	1061.147876	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+H"	1.007276
"682836"	1591.218176	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+H"	1.007276
"1358090"	531.077576	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H"	1.007276
"134261"	531.077576	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+2H"	2.014552
"577102"	796.112726	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+2H"	2.014552
"1050642"	266.042426	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2H"	2.014552
"215988"	354.387476	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+3H"	3.021828
"655549"	531.077576	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+3H"	3.021828
"1171488"	177.697376	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+3H"	3.021828
"430386"	1078.174423	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+NH4"	18.033823
"795754"	1608.244723	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+NH4"	18.033823
"1690990"	548.104123	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+NH4"	18.033823
"338177"	539.5908495	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+H+NH4"	19.041099
"731692"	804.6259995	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+H+NH4"	19.041099
"1488799"	274.5556995	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H+NH4"	19.041099
"404197"	1083.129818	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+Na"	22.989218
"763006"	1613.200118	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+Na"	22.989218
"1614384"	553.059518	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Na"	22.989218
"325514"	542.068547	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+H+Na"	23.996494
"711378"	807.103697	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+H+Na"	23.996494
"1467381"	277.033397	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H+Na"	23.996494
"1061726"	185.02469	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2H+Na"	25.00377
"1262314"	563.103786	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+CH3OH+H"	33.033486
"384167"	1099.103758	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+K"	38.963158
"749536"	1629.174058	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+K"	38.963158
"1548307"	569.033458	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+K"	38.963158
"304390"	550.055517	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+H+K"	39.970434
"696812"	815.090667	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+H+K"	39.970434
"1448812"	285.020367	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H+K"	39.970434
"245797"	1102.174426	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+H"	42.033826
"1219603"	572.104126	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+H"	42.033826
"1201299"	286.555701	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+2H"	43.041102
"193078"	1105.11176	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na-H"	44.97116
"635918"	1635.18206	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na-H"	44.97116
"1139425"	575.04146	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2Na-H"	44.97116
"177250"	553.059518	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na"	45.978436
"616808"	818.094668	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na"	45.978436
"1117154"	288.024368	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2Na"	45.978436
"1400557"	192.352004	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H+2Na"	46.985712
"1431579"	577.083046	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H+HCOOH"	47.012746
"220180"	558.09254	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+3H2O+2H"	56.04448
"1509580"	591.13509	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+H"	61.06479
"412308"	561.046488	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+Na+K"	61.952376
"782055"	826.081638	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+Na+K"	61.952376
"1666355"	296.011338	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Na+K"	61.952376
"253967"	1124.156368	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+Na"	64.015768
"1231051"	594.086068	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+Na"	64.015768
"1723228"	594.109593	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+HCOOH"	64.039293
"1186396"	199.679318	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+3Na"	68.967654
"1661756"	599.064988	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Na+HCOOH"	68.994688
"168618"	1137.05964	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+2K-H"	76.91904
"608908"	1667.12994	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+2K-H"	76.91904
"1095969"	606.98934	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2K-H"	76.91904
"154973"	569.033458	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"2M+2K"	77.926316
"594534"	834.068608	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"3M+2K"	77.926316
"1081234"	303.998308	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2K"	77.926316
"1111163"	609.003892	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2K+H"	78.933592
"1345362"	609.091507	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+DMSO+H"	79.021207
"1017901"	613.130676	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+H"	83.060376
"1535298"	614.124308	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+Na+H"	84.054008
"996277"	307.068976	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+2H"	84.067652
"1594061"	615.038928	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+K+HCOOH"	84.968628
"1421909"	645.070438	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+H+CF3COOH"	115.000138
"1154383"	327.582251	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+3ACN+2H"	125.094202
"1705027"	662.096985	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+CF3COOH"	132.026685
"1634165"	667.05238	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+Na+CF3COOH"	136.98208
"1577424"	683.02632	"C11909"	"dTDP-3-oxo-46-dideoxy-D-glucose;dTDP-3-oxo-46-dideoxy-alpha-D-glucose;dTDP-3-dehydro-46-dideoxy-alpha-D-glucopyranose"	"C16H24N2O14P2"	"530.0703"	"M+K+CF3COOH"	152.95602
"812163"	531.1019	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M"	0
"978040"	512.08351	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-H2O-H"	-19.01839
"73938"	353.060657333333	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M-3H"	-3.021828
"508038"	530.094624	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M-3H"	-3.021828
"886934"	176.026690666667	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-3H"	-3.021828
"9883"	530.094624	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M-2H"	-2.014552
"447257"	795.645574	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M-2H"	-2.014552
"822875"	264.543674	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-2H"	-2.014552
"82866"	1061.196524	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M-H"	-1.007276
"525709"	1592.298424	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M-H"	-1.007276
"901321"	530.094624	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-H"	-1.007276
"48525"	1078.223071	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M-2H+NH4"	16.019271
"488330"	1609.324971	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M-2H+NH4"	16.019271
"865527"	547.121171	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-2H+NH4"	16.019271
"32455"	1083.178466	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M-2H+Na"	20.974666
"482717"	1614.280366	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M-2H+Na"	20.974666
"859424"	552.076566	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-2H+Na"	20.974666
"1626769"	552.076566	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Na-2H"	20.974666
"101112"	548.082963	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M-H+Cl"	33.962126
"543953"	813.633913	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M-H+Cl"	33.962126
"930905"	282.532013	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-H+Cl"	33.962126
"271649"	1097.173202	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+Cl"	34.969402
"666256"	1628.275102	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+Cl"	34.969402
"1277566"	566.071302	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Cl"	34.969402
"19760"	1099.152406	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M-2H+K"	36.948606
"457498"	1630.254306	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M-2H+K"	36.948606
"836760"	568.050506	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-2H+K"	36.948606
"1556357"	568.050506	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+K-2H"	36.948606
"947772"	576.100094	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-H+HCOOH"	44.998194
"364893"	1107.202001	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+HCOOH-H"	44.998201
"347674"	1121.217651	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+Hac-H"	59.013851
"1496879"	590.115751	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Hac-H"	59.013851
"960773"	598.082051	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-H+NaCOOH"	66.980151
"112963"	566.071302	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+2Cl"	69.938804
"552521"	831.622252	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+2Cl"	69.938804
"1024601"	300.520352	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2Cl"	69.938804
"1242718"	610.020785	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Br"	78.918885
"1307721"	612.076772	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Cl+HCOOH"	80.974872
"1321935"	634.058729	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Cl+NaCOOH"	102.956829
"914453"	644.087486	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M-H+CF3COOH"	112.985586
"1290797"	680.064164	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Cl+CF3COOH"	148.962264
"1371145"	496.089224	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H-2H2O"	-35.012676
"1386459"	514.0992	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H-H2O"	-17.0027
"297816"	1063.211076	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+H"	1.007276
"688414"	1594.312976	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+H"	1.007276
"1358200"	532.109176	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H"	1.007276
"136558"	532.109176	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+2H"	2.014552
"576118"	797.660126	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+2H"	2.014552
"1043825"	266.558226	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2H"	2.014552
"219016"	355.075209333333	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+3H"	3.021828
"655658"	532.109176	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+3H"	3.021828
"1174154"	178.041242666667	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+3H"	3.021828
"434871"	1080.237623	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+NH4"	18.033823
"794772"	1611.339523	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+NH4"	18.033823
"1693288"	549.135723	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+NH4"	18.033823
"340474"	540.6224495	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+H+NH4"	19.041099
"731802"	806.1733995	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+H+NH4"	19.041099
"1490005"	275.0714995	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H+NH4"	19.041099
"407469"	1085.193018	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+Na"	22.989218
"766397"	1616.294918	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+Na"	22.989218
"1615588"	554.091118	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Na"	22.989218
"329476"	543.100147	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+H+Na"	23.996494
"713674"	808.651097	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+H+Na"	23.996494
"1470772"	277.549197	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H+Na"	23.996494
"1058554"	185.368556666667	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2H+Na"	25.00377
"1262416"	564.135386	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+CH3OH+H"	33.033486
"382091"	1101.166958	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+K"	38.963158
"747459"	1632.268858	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+K"	38.963158
"1549511"	570.065058	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+K"	38.963158
"309967"	551.087117	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+H+K"	39.970434
"700203"	816.638067	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+H+K"	39.970434
"1450744"	285.536167	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H+K"	39.970434
"245907"	1104.237626	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+H"	42.033826
"1219713"	573.135726	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+ACN+H"	42.033826
"1203597"	287.071501	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+ACN+2H"	43.041102
"194282"	1107.17496	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+2Na-H"	44.97116
"636029"	1638.27686	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+2Na-H"	44.97116
"1145366"	576.07306	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2Na-H"	44.97116
"180640"	554.091118	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+2Na"	45.978436
"625664"	819.642068	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+2Na"	45.978436
"1120423"	288.540168	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2Na"	45.978436
"1402853"	192.695870666667	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H+2Na"	46.985712
"1434968"	578.114646	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H+HCOOH"	47.012746
"225760"	559.12414	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+3H2O+2H"	56.04448
"1512727"	592.16669	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+H"	61.06479
"414604"	562.078088	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+Na+K"	61.952376
"782893"	827.629038	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+Na+K"	61.952376
"1668651"	296.527138	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Na+K"	61.952376
"254077"	1126.219568	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+Na"	64.015768
"1231161"	595.117668	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+ACN+Na"	64.015768
"1722244"	595.141193	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+NH4+HCOOH"	64.039293
"1189786"	200.023184666667	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+3Na"	68.967654
"1661866"	600.096588	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Na+HCOOH"	68.994688
"167635"	1139.12284	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+2K-H"	76.91904
"609749"	1670.22474	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+2K-H"	76.91904
"1097172"	608.02094	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2K-H"	76.91904
"149616"	570.065058	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"2M+2K"	77.926316
"592457"	835.616008	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"3M+2K"	77.926316
"1079157"	304.514108	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2K"	77.926316
"1111273"	610.035492	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2K+H"	78.933592
"1345471"	610.123107	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+DMSO+H"	79.021207
"1017281"	614.162276	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+H"	83.060376
"1535407"	615.155908	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+Na+H"	84.054008
"999667"	307.584776	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+2H"	84.067652
"1589797"	616.070528	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+K+HCOOH"	84.968628
"1416552"	646.102038	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+H+CF3COOH"	115.000138
"1149026"	328.098051	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+3ACN+2H"	125.094202
"1705136"	663.128585	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+NH4+CF3COOH"	132.026685
"1634348"	668.08398	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+Na+CF3COOH"	136.98208
"1577534"	684.05792	"C11910"	"dTDP-3-amino-346-trideoxy-D-glucose;dTDP-3-amino-346-trideoxy-alpha-D-glucose"	"C16H27N3O13P2"	"531.1019"	"M+K+CF3COOH"	152.95602
"807898"	559.1332	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M"	0
"981430"	540.11481	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H2O-H"	-19.01839
"72955"	371.748190666667	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-3H"	-3.021828
"511431"	558.125924	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-3H"	-3.021828
"889234"	185.370457333333	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-3H"	-3.021828
"9995"	558.125924	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H"	-2.014552
"447370"	837.692524	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H"	-2.014552
"820069"	278.559324	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H"	-2.014552
"85164"	1117.259124	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-H"	-1.007276
"525819"	1676.392324	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-H"	-1.007276
"903619"	558.125924	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H"	-1.007276
"52528"	1134.285671	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H+NH4"	16.019271
"490994"	1693.418871	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H+NH4"	16.019271
"866611"	575.152471	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H+NH4"	16.019271
"46750"	1139.241066	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H+Na"	20.974666
"486756"	1698.374266	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H+Na"	20.974666
"863870"	580.107866	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H+Na"	20.974666
"1630526"	580.107866	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na-2H"	20.974666
"101222"	576.114263	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-H+Cl"	33.962126
"539689"	855.680863	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-H+Cl"	33.962126
"931017"	296.547663	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+Cl"	33.962126
"272124"	1153.235802	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Cl"	34.969402
"666733"	1712.369002	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+Cl"	34.969402
"1277681"	594.102602	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl"	34.969402
"16711"	1155.215006	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H+K"	36.948606
"460892"	1714.348206	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H+K"	36.948606
"839786"	596.081806	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H+K"	36.948606
"1566562"	596.081806	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K-2H"	36.948606
"947882"	604.131394	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+HCOOH"	44.998194
"363543"	1163.264601	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+HCOOH-H"	44.998201
"349615"	1177.280251	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Hac-H"	59.013851
"1499907"	618.147051	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Hac-H"	59.013851
"962346"	626.113351	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+NaCOOH"	66.980151
"114169"	594.102602	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2Cl"	69.938804
"551783"	873.669202	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2Cl"	69.938804
"1024349"	314.536002	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2Cl"	69.938804
"1244288"	638.052085	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Br"	78.918885
"1306739"	640.108072	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl+HCOOH"	80.974872
"1322409"	662.090029	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl+NaCOOH"	102.956829
"913473"	672.118786	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+CF3COOH"	112.985586
"1293461"	708.095464	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl+CF3COOH"	148.962264
"1371622"	524.120524	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H-2H2O"	-35.012676
"1390947"	542.1305	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H-H2O"	-17.0027
"297197"	1119.273676	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H"	1.007276
"684151"	1678.406876	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H"	1.007276
"1362320"	560.140476	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H"	1.007276
"137399"	560.140476	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2H"	2.014552
"571856"	839.707076	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2H"	2.014552
"1050495"	280.573876	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2H"	2.014552
"216940"	373.762742666667	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+3H"	3.021828
"657594"	560.140476	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+3H"	3.021828
"1173899"	187.385009333333	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+3H"	3.021828
"433891"	1136.300223	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+NH4"	18.033823
"793793"	1695.433423	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+NH4"	18.033823
"1691216"	577.167023	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+NH4"	18.033823
"343874"	568.6537495	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H+NH4"	19.041099
"735200"	848.2203495	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H+NH4"	19.041099
"1492142"	289.0871495	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+NH4"	19.041099
"408109"	1141.255618	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Na"	22.989218
"769508"	1700.388818	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+Na"	22.989218
"1616796"	582.122418	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na"	22.989218
"329507"	571.131447	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H+Na"	23.996494
"715970"	850.698047	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H+Na"	23.996494
"1474167"	291.564847	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+Na"	23.996494
"1061944"	194.712323333333	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2H+Na"	25.00377
"1265811"	592.166686	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+CH3OH+H"	33.033486
"382200"	1157.229558	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+K"	38.963158
"742102"	1716.362758	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+K"	38.963158
"1541241"	598.096358	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K"	38.963158
"300603"	579.118417	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H+K"	39.970434
"705781"	858.685017	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H+K"	39.970434
"1461143"	299.551817	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+K"	39.970434
"244928"	1160.300226	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+H"	42.033826
"1216544"	601.167026	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+ACN+H"	42.033826
"1204799"	301.087151	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+ACN+2H"	43.041102
"196578"	1163.23756	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2Na-H"	44.97116
"639056"	1722.37076	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2Na-H"	44.97116
"1142925"	604.10436	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2Na-H"	44.97116
"184756"	582.122418	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2Na"	45.978436
"621402"	861.689018	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2Na"	45.978436
"1121626"	302.555818	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2Na"	45.978436
"1407337"	202.039637333333	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+2Na"	46.985712
"1436173"	606.145946	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+HCOOH"	47.012746
"224781"	587.15544	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+3H2O+2H"	56.04448
"1516123"	620.19799	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+H"	61.06479
"414715"	590.109388	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Na+K"	61.952376
"784467"	869.675988	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+Na+K"	61.952376
"1680433"	310.542788	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na+K"	61.952376
"265858"	1182.282168	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+Na"	64.015768
"1240388"	623.148968	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+ACN+Na"	64.015768
"1725273"	623.172493	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+NH4+HCOOH"	64.039293
"1188803"	209.366951333333	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+3Na"	68.967654
"1661975"	628.127888	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na+HCOOH"	68.994688
"165557"	1195.18544	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2K-H"	76.91904
"608399"	1754.31864	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2K-H"	76.91904
"1095098"	636.05224	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2K-H"	76.91904
"148635"	598.096358	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2K"	77.926316
"588196"	877.662958	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2K"	77.926316
"1077083"	318.529758	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2K"	77.926316
"1107011"	638.066792	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2K+H"	78.933592
"1343396"	638.154407	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+DMSO+H"	79.021207
"1013020"	642.193576	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+H"	83.060376
"1531145"	643.187208	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+Na+H"	84.054008
"998687"	321.600426	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+2H"	84.067652
"1595376"	644.101828	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K+HCOOH"	84.968628
"1415689"	674.133338	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+CF3COOH"	115.000138
"1156793"	342.113701	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+3ACN+2H"	125.094202
"1707437"	691.159885	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+NH4+CF3COOH"	132.026685
"1643087"	696.11528	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na+CF3COOH"	136.98208
"1578737"	712.08922	"C11911"	"dTDP-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-D-glucose;dTDP-alpha-D-desosamine;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucose;dTDP-3-dimethylamino-346-trideoxy-alpha-D-glucopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K+CF3COOH"	152.95602
"812383"	548.0808	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M"	0
"978260"	529.06241	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-H2O-H"	-19.01839
"74157"	364.379924	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M-3H"	-3.021828
"514820"	547.073524	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M-3H"	-3.021828
"893715"	181.686324	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-3H"	-3.021828
"9012"	547.073524	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M-2H"	-2.014552
"449666"	821.113924	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M-2H"	-2.014552
"827469"	273.033124	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-2H"	-2.014552
"90741"	1095.154324	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M-H"	-1.007276
"529211"	1643.235124	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M-H"	-1.007276
"908106"	547.073524	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-H"	-1.007276
"54825"	1112.180871	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+NH4"	16.019271
"500581"	1660.261671	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+NH4"	16.019271
"874376"	564.100071	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-2H+NH4"	16.019271
"35718"	1117.136266	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+Na"	20.974666
"484029"	1665.217066	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+Na"	20.974666
"863700"	569.055466	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-2H+Na"	20.974666
"1630271"	569.055466	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Na-2H"	20.974666
"104249"	565.061863	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M-H+Cl"	33.962126
"541986"	839.102263	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M-H+Cl"	33.962126
"934408"	291.021463	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-H+Cl"	33.962126
"271871"	1131.131002	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+Cl"	34.969402
"666479"	1679.211802	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+Cl"	34.969402
"1280707"	583.050202	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Cl"	34.969402
"22535"	1133.110206	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+K"	36.948606
"463189"	1681.191006	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+K"	36.948606
"839167"	585.029406	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-2H+K"	36.948606
"1564486"	585.029406	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+K-2H"	36.948606
"953460"	593.078994	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-H+HCOOH"	44.998194
"370581"	1141.159801	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+HCOOH-H"	44.998201
"352278"	1155.175451	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+Hac-H"	59.013851
"1500016"	607.094651	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Hac-H"	59.013851
"963184"	615.060951	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-H+NaCOOH"	66.980151
"115372"	583.050202	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+2Cl"	69.938804
"554204"	857.090602	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+2Cl"	69.938804
"1025919"	309.009802	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2Cl"	69.938804
"1245127"	626.999685	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Br"	78.918885
"1306483"	629.055672	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+HCOOH"	80.974872
"1322883"	651.037629	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+NaCOOH"	102.956829
"913580"	661.066386	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M-H+CF3COOH"	112.985586
"1291384"	697.043064	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+CF3COOH"	148.962264
"1372827"	513.068124	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H-2H2O"	-35.012676
"1394337"	531.0781	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H-H2O"	-17.0027
"298039"	1097.168876	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+H"	1.007276
"690458"	1645.249676	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+H"	1.007276
"1364984"	549.088076	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H"	1.007276
"139699"	549.088076	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+2H"	2.014552
"578529"	823.128476	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+2H"	2.014552
"1050974"	275.047676	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2H"	2.014552
"217779"	366.394476	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+3H"	3.021828
"657707"	549.088076	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+3H"	3.021828
"1174010"	183.700876	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+3H"	3.021828
"436188"	1114.195423	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+NH4"	18.033823
"794997"	1662.276223	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+NH4"	18.033823
"1696067"	566.114623	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+NH4"	18.033823
"345079"	557.6013495	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+H+NH4"	19.041099
"736404"	831.6417495	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+H+NH4"	19.041099
"1492698"	283.5609495	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H+NH4"	19.041099
"408489"	1119.150818	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+Na"	22.989218
"769664"	1667.231618	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+Na"	22.989218
"1617276"	571.070018	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Na"	22.989218
"329899"	560.079047	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+H+Na"	23.996494
"718267"	834.119447	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+H+Na"	23.996494
"1473913"	286.038647	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H+Na"	23.996494
"1063148"	191.02819	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2H+Na"	25.00377
"1267014"	581.114286	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+CH3OH+H"	33.033486
"384496"	1135.124758	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+K"	38.963158
"747679"	1683.205558	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+K"	38.963158
"1547547"	587.043958	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+K"	38.963158
"304722"	568.066017	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+H+K"	39.970434
"702611"	842.106417	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+H+K"	39.970434
"1460440"	294.025617	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H+K"	39.970434
"249044"	1138.195426	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+H"	42.033826
"1221027"	590.114626	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+H"	42.033826
"1207463"	295.560951	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+2H"	43.041102
"201428"	1141.13276	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na-H"	44.97116
"642447"	1689.21356	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na-H"	44.97116
"1146682"	593.05196	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2Na-H"	44.97116
"188272"	571.070018	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na"	45.978436
"626618"	845.110418	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na"	45.978436
"1128299"	297.029618	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2Na"	45.978436
"1407449"	198.355504	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H+2Na"	46.985712
"1438471"	595.093546	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H+HCOOH"	47.012746
"225984"	576.10304	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+3H2O+2H"	56.04448
"1519513"	609.14559	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+H"	61.06479
"419199"	579.056988	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+Na+K"	61.952376
"785185"	853.097388	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+Na+K"	61.952376
"1681071"	305.016588	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Na+K"	61.952376
"266332"	1160.177368	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+Na"	64.015768
"1240499"	612.096568	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+Na"	64.015768
"1726479"	612.120093	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+HCOOH"	64.039293
"1192195"	205.682818	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+3Na"	68.967654
"1656619"	617.075488	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Na+HCOOH"	68.994688
"167855"	1173.08064	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+2K-H"	76.91904
"608508"	1721.16144	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+2K-H"	76.91904
"1097032"	624.99984	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2K-H"	76.91904
"149839"	587.043958	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"2M+2K"	77.926316
"588306"	861.084358	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"3M+2K"	77.926316
"1076100"	313.003558	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2K"	77.926316
"1107122"	627.014392	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2K+H"	78.933592
"1343507"	627.102007	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+DMSO+H"	79.021207
"1012038"	631.141176	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+H"	83.060376
"1534536"	632.134808	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+Na+H"	84.054008
"998797"	316.074226	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+2H"	84.067652
"1596580"	633.049428	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+K+HCOOH"	84.968628
"1418958"	663.080938	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+H+CF3COOH"	115.000138
"1154716"	336.587501	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+3ACN+2H"	125.094202
"1703172"	680.107485	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+CF3COOH"	132.026685
"1641010"	685.06288	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+Na+CF3COOH"	136.98208
"1578847"	701.03682	"C11912"	"dTDP-6-deoxy-D-allose;dTDP-6-deoxy-alpha-D-allose"	"C16H26N2O15P2"	"548.0808"	"M+K+CF3COOH"	152.95602
"808118"	192.0998	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M"	0
"978370"	173.08141	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-H2O-H"	-19.01839
"67706"	127.059257333333	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M-3H"	-3.021828
"511651"	191.092524	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M-3H"	-3.021828
"888358"	63.0259906666667	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-3H"	-3.021828
"9123"	191.092524	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M-2H"	-2.014552
"451962"	287.142424	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M-2H"	-2.014552
"822112"	95.042624	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-2H"	-2.014552
"88665"	383.192324	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M-H"	-1.007276
"526041"	575.292124	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M-H"	-1.007276
"902749"	191.092524	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-H"	-1.007276
"49469"	400.218871	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M-2H+NH4"	16.019271
"493402"	592.318671	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M-2H+NH4"	16.019271
"869020"	208.119071	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-2H+NH4"	16.019271
"36921"	405.174266	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M-2H+Na"	20.974666
"481587"	597.274066	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M-2H+Na"	20.974666
"862306"	213.074466	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-2H+Na"	20.974666
"1628194"	213.074466	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Na-2H"	20.974666
"100349"	209.080863	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M-H+Cl"	33.962126
"537722"	305.130763	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M-H+Cl"	33.962126
"929778"	113.030963	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-H+Cl"	33.962126
"271614"	419.169002	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+Cl"	34.969402
"663308"	611.268802	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+Cl"	34.969402
"1279358"	227.069202	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Cl"	34.969402
"21553"	421.148206	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M-2H+K"	36.948606
"466216"	613.248006	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M-2H+K"	36.948606
"838914"	229.048406	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-2H+K"	36.948606
"1564596"	229.048406	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+K-2H"	36.948606
"953570"	237.097994	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-H+HCOOH"	44.998194
"372880"	429.197801	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+HCOOH-H"	44.998201
"355669"	443.213451	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+Hac-H"	59.013851
"1503409"	251.113651	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Hac-H"	59.013851
"964390"	259.079951	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-H+NaCOOH"	66.980151
"120949"	227.069202	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+2Cl"	69.938804
"553950"	323.119102	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+2Cl"	69.938804
"1024571"	131.019302	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2Cl"	69.938804
"1245239"	271.018685	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Br"	78.918885
"1305865"	273.074672	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Cl+HCOOH"	80.974872
"1321175"	295.056629	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Cl+NaCOOH"	102.956829
"912599"	305.085386	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M-H+CF3COOH"	112.985586
"1291858"	341.062064	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Cl+CF3COOH"	148.962264
"1372936"	157.087124	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H-2H2O"	-35.012676
"1390074"	175.0971	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H-H2O"	-17.0027
"297302"	385.206876	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+H"	1.007276
"689842"	577.306676	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+H"	1.007276
"1365098"	193.107076	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H"	1.007276
"137622"	193.107076	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+2H"	2.014552
"580099"	289.156976	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+2H"	2.014552
"1047439"	97.057176	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2H"	2.014552
"218622"	129.073809333333	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+3H"	3.021828
"655994"	193.107076	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+3H"	3.021828
"1178093"	65.0405426666667	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+3H"	3.021828
"439666"	402.233423	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+NH4"	18.033823
"799847"	594.333223	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+NH4"	18.033823
"1695451"	210.133623	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+NH4"	18.033823
"343365"	201.6203495	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+H+NH4"	19.041099
"735419"	297.6702495	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+H+NH4"	19.041099
"1490943"	105.5704495	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H+NH4"	19.041099
"407922"	407.188818	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+Na"	22.989218
"769167"	599.288618	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+Na"	22.989218
"1617870"	215.089018	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Na"	22.989218
"327901"	204.098047	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+H+Na"	23.996494
"716190"	300.147947	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+H+Na"	23.996494
"1473294"	108.048147	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H+Na"	23.996494
"1065448"	72.3678566666667	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2H+Na"	25.00377
"1269314"	225.133286	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+CH3OH+H"	33.033486
"384610"	423.162758	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+K"	38.963158
"743417"	615.262558	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+K"	38.963158
"1544376"	231.062958	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+K"	38.963158
"307019"	212.085017	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+H+K"	39.970434
"701628"	308.134917	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+H+K"	39.970434
"1458727"	116.035117	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H+K"	39.970434
"247332"	426.233426	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+ACN+H"	42.033826
"1222594"	234.133626	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+ACN+H"	42.033826
"1206840"	117.570451	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+ACN+2H"	43.041102
"201904"	429.17076	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+2Na-H"	44.97116
"641829"	621.27056	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+2Na-H"	44.97116
"1146065"	237.07096	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2Na-H"	44.97116
"187168"	215.089018	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+2Na"	45.978436
"624906"	311.138918	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+2Na"	45.978436
"1122944"	119.039118	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2Na"	45.978436
"1407560"	79.6951706666667	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H+2Na"	46.985712
"1438583"	239.112546	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H+HCOOH"	47.012746
"223908"	220.12204	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+3H2O+2H"	56.04448
"1518530"	253.16459	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+IsoProp+H"	61.06479
"418216"	223.075988	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+Na+K"	61.952376
"785294"	319.125888	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+Na+K"	61.952376
"1679194"	127.026088	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Na+K"	61.952376
"265348"	448.215368	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+ACN+Na"	64.015768
"1240002"	256.115568	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+ACN+Na"	64.015768
"1724763"	256.139093	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+NH4+HCOOH"	64.039293
"1190484"	87.0224846666667	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+3Na"	68.967654
"1660009"	261.094488	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Na+HCOOH"	68.994688
"168695"	461.11864	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+2K-H"	76.91904
"609351"	653.21844	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+2K-H"	76.91904
"1095684"	269.01884	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2K-H"	76.91904
"151044"	231.062958	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"2M+2K"	77.926316
"590605"	327.112858	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"3M+2K"	77.926316
"1077304"	135.013058	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2K"	77.926316
"1103953"	271.033392	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2K+H"	78.933592
"1339244"	271.121007	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+DMSO+H"	79.021207
"1012148"	275.160176	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2ACN+H"	83.060376
"1532461"	276.153808	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+IsoProp+Na+H"	84.054008
"1000001"	138.083726	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+2ACN+2H"	84.067652
"1595598"	277.068428	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+K+HCOOH"	84.968628
"1421256"	307.099938	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+H+CF3COOH"	115.000138
"1157013"	158.597001	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+3ACN+2H"	125.094202
"1703282"	324.126485	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+NH4+CF3COOH"	132.026685
"1642214"	329.08188	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+Na+CF3COOH"	136.98208
"1578957"	345.05582	"C11913"	"D-Mycinose;6-Deoxy-23-di-O-methyl-D-allo-hexose"	"C8H16O5"	"192.0998"	"M+K+CF3COOH"	152.95602
"808228"	544.0859	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M"	0
"978480"	525.06751	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-H2O-H"	-19.01839
"67816"	361.716657333333	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M-3H"	-3.021828
"513946"	543.078624	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M-3H"	-3.021828
"893935"	180.354690666667	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-3H"	-3.021828
"11418"	543.078624	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M-2H"	-2.014552
"452076"	815.121574	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M-2H"	-2.014552
"827689"	271.035674	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-2H"	-2.014552
"88776"	1087.164524	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M-H"	-1.007276
"530160"	1631.250424	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M-H"	-1.007276
"907233"	543.078624	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-H"	-1.007276
"53953"	1104.191071	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M-2H+NH4"	16.019271
"496793"	1648.276971	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M-2H+NH4"	16.019271
"872411"	560.105171	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-2H+NH4"	16.019271
"35938"	1109.146466	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M-2H+Na"	20.974666
"483884"	1653.232366	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M-2H+Na"	20.974666
"863025"	565.060566	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-2H+Na"	20.974666
"1626117"	565.060566	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Na-2H"	20.974666
"100823"	561.066963	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M-H+Cl"	33.962126
"542206"	833.109913	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M-H+Cl"	33.962126
"935721"	289.024013	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-H+Cl"	33.962126
"278287"	1123.141202	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+Cl"	34.969402
"673261"	1667.227102	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+Cl"	34.969402
"1282385"	579.055302	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Cl"	34.969402
"22391"	1125.120406	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M-2H+K"	36.948606
"466691"	1669.206306	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M-2H+K"	36.948606
"844128"	581.034506	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-2H+K"	36.948606
"1562520"	581.034506	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+K-2H"	36.948606
"949308"	589.084094	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-H+HCOOH"	44.998194
"369710"	1133.170001	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+HCOOH-H"	44.998201
"357602"	1147.185651	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+Hac-H"	59.013851
"1501332"	603.099751	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Hac-H"	59.013851
"966686"	611.066051	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-H+NaCOOH"	66.980151
"118510"	579.055302	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+2Cl"	69.938804
"552600"	851.098252	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+2Cl"	69.938804
"1026868"	307.012352	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2Cl"	69.938804
"1249359"	623.004785	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Br"	78.918885
"1307797"	625.060772	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Cl+HCOOH"	80.974872
"1322740"	647.042729	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Cl+NaCOOH"	102.956829
"913802"	657.071486	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M-H+CF3COOH"	112.985586
"1292332"	693.048164	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Cl+CF3COOH"	148.962264
"1372316"	509.073224	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H-2H2O"	-35.012676
"1395651"	527.0832	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H-H2O"	-17.0027
"296315"	1089.179076	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+H"	1.007276
"691130"	1633.264976	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+H"	1.007276
"1366309"	545.093176	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H"	1.007276
"140892"	545.093176	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+2H"	2.014552
"581266"	817.136126	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+2H"	2.014552
"1047549"	273.050226	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2H"	2.014552
"219791"	363.731209333333	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+3H"	3.021828
"659142"	545.093176	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+3H"	3.021828
"1175324"	182.369242666667	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+3H"	3.021828
"438596"	1106.205623	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+NH4"	18.033823
"799227"	1650.291523	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+NH4"	18.033823
"1696620"	562.119723	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+NH4"	18.033823
"344816"	553.6064495	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+H+NH4"	19.041099
"738086"	825.6493995	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+H+NH4"	19.041099
"1492398"	281.5634995	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H+NH4"	19.041099
"406937"	1111.161018	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+Na"	22.989218
"769762"	1655.246918	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+Na"	22.989218
"1617124"	567.075118	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Na"	22.989218
"327160"	556.084147	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+H+Na"	23.996494
"720675"	828.127097	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+H+Na"	23.996494
"1476202"	284.041197	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H+Na"	23.996494
"1064464"	189.696556666667	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2H+Na"	25.00377
"1267237"	577.119386	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+CH3OH+H"	33.033486
"385812"	1127.134958	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+K"	38.963158
"743528"	1671.220858	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+K"	38.963158
"1544485"	583.049058	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+K"	38.963158
"307129"	564.071117	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+H+K"	39.970434
"698458"	836.114067	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+H+K"	39.970434
"1457744"	292.028167	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H+K"	39.970434
"246348"	1130.205626	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+ACN+H"	42.033826
"1223431"	586.119726	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+ACN+H"	42.033826
"1207312"	293.563501	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+ACN+2H"	43.041102
"200918"	1133.14296	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+2Na-H"	44.97116
"641208"	1677.22886	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+2Na-H"	44.97116
"1146422"	589.05706	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2Na-H"	44.97116
"187765"	567.075118	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+2Na"	45.978436
"625374"	839.118068	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+2Na"	45.978436
"1131077"	295.032168	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2Na"	45.978436
"1413835"	197.023870666667	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H+2Na"	46.985712
"1441612"	591.098646	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H+HCOOH"	47.012746
"232035"	572.10814	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+3H2O+2H"	56.04448
"1522650"	605.15069	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+IsoProp+H"	61.06479
"420513"	575.062088	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+Na+K"	61.952376
"785404"	847.105038	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+Na+K"	61.952376
"1680029"	303.019138	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Na+K"	61.952376
"265944"	1152.187568	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+ACN+Na"	64.015768
"1240110"	608.101668	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+ACN+Na"	64.015768
"1724863"	608.125193	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+NH4+HCOOH"	64.039293
"1190593"	204.351184666667	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+3Na"	68.967654
"1662311"	613.080588	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Na+HCOOH"	68.994688
"165890"	1165.09084	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+2K-H"	76.91904
"605451"	1709.17674	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+2K-H"	76.91904
"1092148"	621.00494	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2K-H"	76.91904
"142160"	583.049058	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"2M+2K"	77.926316
"584154"	855.092008	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"3M+2K"	77.926316
"1073040"	311.006108	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2K"	77.926316
"1101266"	623.019492	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2K+H"	78.933592
"1337288"	623.107107	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+DMSO+H"	79.021207
"1008978"	627.146276	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2ACN+H"	83.060376
"1526373"	628.139908	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+IsoProp+Na+H"	84.054008
"999018"	314.076776	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+2ACN+2H"	84.067652
"1594616"	629.054528	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+K+HCOOH"	84.968628
"1422459"	659.086038	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+H+CF3COOH"	115.000138
"1153842"	334.590051	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+3ACN+2H"	125.094202
"1703392"	676.112585	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+NH4+CF3COOH"	132.026685
"1644510"	681.06798	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+Na+CF3COOH"	136.98208
"1577974"	697.04192	"C11915"	"dTDP-3-methyl-4-oxo-26-dideoxy-L-allose"	"C17H26N2O14P2"	"544.0859"	"M+K+CF3COOH"	152.95602
"808338"	546.1016	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M"	0
"977496"	527.08321	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-H2O-H"	-19.01839
"63794"	363.060457333333	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M-3H"	-3.021828
"514055"	545.094324	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M-3H"	-3.021828
"890764"	181.026590666667	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-3H"	-3.021828
"15511"	545.094324	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M-2H"	-2.014552
"453643"	818.145124	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M-2H"	-2.014552
"830717"	272.043524	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-2H"	-2.014552
"90708"	1091.195924	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M-H"	-1.007276
"530270"	1637.297524	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M-H"	-1.007276
"908436"	545.094324	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-H"	-1.007276
"56250"	1108.222471	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M-2H+NH4"	16.019271
"499090"	1654.324071	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M-2H+NH4"	16.019271
"873615"	562.120871	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-2H+NH4"	16.019271
"38233"	1113.177866	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M-2H+Na"	20.974666
"486266"	1659.279466	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M-2H+Na"	20.974666
"863500"	567.076266	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-2H+Na"	20.974666
"1630602"	567.076266	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Na-2H"	20.974666
"100569"	563.082663	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M-H+Cl"	33.962126
"543408"	836.133463	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M-H+Cl"	33.962126
"932186"	290.031863	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-H+Cl"	33.962126
"276574"	1127.172602	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+Cl"	34.969402
"673371"	1673.274202	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+Cl"	34.969402
"1283588"	581.071002	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Cl"	34.969402
"25053"	1129.151806	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M-2H+K"	36.948606
"467531"	1675.253406	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M-2H+K"	36.948606
"845695"	583.050206	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-2H+K"	36.948606
"1565911"	583.050206	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+K-2H"	36.948606
"954521"	591.099794	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-H+HCOOH"	44.998194
"374559"	1137.201401	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+HCOOH-H"	44.998201
"357712"	1151.217051	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+Hac-H"	59.013851
"1506544"	605.115451	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Hac-H"	59.013851
"965703"	613.081751	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-H+NaCOOH"	66.980151
"120806"	581.071002	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+2Cl"	69.938804
"555264"	854.121802	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+2Cl"	69.938804
"1028437"	308.020202	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2Cl"	69.938804
"1251292"	625.020485	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Br"	78.918885
"1310460"	627.076472	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Cl+HCOOH"	80.974872
"1322121"	649.058429	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Cl+NaCOOH"	102.956829
"913913"	659.087186	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M-H+CF3COOH"	112.985586
"1294630"	695.063864	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Cl+CF3COOH"	148.962264
"1376072"	511.088924	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H-2H2O"	-35.012676
"1397706"	529.0989	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H-H2O"	-17.0027
"297639"	1093.210476	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+H"	1.007276
"690877"	1639.312076	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+H"	1.007276
"1364599"	547.108876	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H"	1.007276
"140763"	547.108876	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+2H"	2.014552
"581219"	820.159676	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+2H"	2.014552
"1052033"	274.058076	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2H"	2.014552
"219573"	365.075009333333	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+3H"	3.021828
"658647"	547.108876	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+3H"	3.021828
"1176406"	183.041142666667	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+3H"	3.021828
"439195"	1110.237023	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+NH4"	18.033823
"797514"	1656.338623	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+NH4"	18.033823
"1693482"	564.135423	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+NH4"	18.033823
"343949"	555.6221495	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+H+NH4"	19.041099
"733452"	828.6729495	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+H+NH4"	19.041099
"1491282"	282.5713495	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H+NH4"	19.041099
"407413"	1115.192418	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+Na"	22.989218
"769505"	1661.294018	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+Na"	22.989218
"1617234"	569.090818	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Na"	22.989218
"325083"	558.099847	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+H+Na"	23.996494
"720785"	831.150647	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+H+Na"	23.996494
"1474608"	285.049047	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H+Na"	23.996494
"1065668"	190.368456666667	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2H+Na"	25.00377
"1268441"	579.135086	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+CH3OH+H"	33.033486
"385924"	1131.166358	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+K"	38.963158
"749105"	1677.267958	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+K"	38.963158
"1550063"	585.064758	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+K"	38.963158
"308332"	566.086817	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+H+K"	39.970434
"704036"	839.137617	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+H+K"	39.970434
"1460041"	293.036017	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H+K"	39.970434
"248280"	1134.237026	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+ACN+H"	42.033826
"1221720"	588.135426	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+ACN+H"	42.033826
"1207422"	294.571351	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+ACN+2H"	43.041102
"201028"	1137.17436	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+2Na-H"	44.97116
"640222"	1683.27596	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+2Na-H"	44.97116
"1146284"	591.07276	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2Na-H"	44.97116
"188199"	569.090818	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+2Na"	45.978436
"625119"	842.141618	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+2Na"	45.978436
"1131071"	296.040018	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2Na"	45.978436
"1413010"	197.695770666667	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H+2Na"	46.985712
"1442452"	593.114346	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H+HCOOH"	47.012746
"234942"	574.12384	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+3H2O+2H"	56.04448
"1524020"	607.16639	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+IsoProp+H"	61.06479
"422689"	577.077788	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+Na+K"	61.952376
"784542"	850.128588	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+Na+K"	61.952376
"1676858"	304.026988	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Na+K"	61.952376
"261191"	1156.218968	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+ACN+Na"	64.015768
"1239367"	610.117368	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+ACN+Na"	64.015768
"1724972"	610.140893	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+NH4+HCOOH"	64.039293
"1189246"	205.023084666667	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+3Na"	68.967654
"1664246"	615.096288	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Na+HCOOH"	68.994688
"165999"	1169.12224	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+2K-H"	76.91904
"604466"	1715.22384	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+2K-H"	76.91904
"1093352"	623.02064	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2K-H"	76.91904
"142024"	585.064758	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"2M+2K"	77.926316
"588638"	858.115558	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"3M+2K"	77.926316
"1073149"	312.013958	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2K"	77.926316
"1103079"	625.035192	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2K+H"	78.933592
"1336667"	625.122807	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+DMSO+H"	79.021207
"1007995"	629.161976	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2ACN+H"	83.060376
"1529401"	630.155608	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+IsoProp+Na+H"	84.054008
"1001682"	315.084626	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+2ACN+2H"	84.067652
"1598005"	631.070228	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+K+HCOOH"	84.968628
"1420382"	661.101738	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+H+CF3COOH"	115.000138
"1153952"	335.597901	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+3ACN+2H"	125.094202
"1703502"	678.128285	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+NH4+CF3COOH"	132.026685
"1644620"	683.08368	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+Na+CF3COOH"	136.98208
"1578084"	699.05762	"C11916"	"dTDP-L-mycarose;dTDP-beta-L-mycarose;dTDP-26-dideoxy-3-C-methyl-beta-L-ribo-hexose"	"C17H28N2O14P2"	"546.1016"	"M+K+CF3COOH"	152.95602
"808448"	176.1049	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M"	0
"976513"	157.08651	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-H2O-H"	-19.01839
"63539"	116.395990666667	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M-3H"	-3.021828
"516353"	175.097624	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M-3H"	-3.021828
"889779"	57.6943573333333	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-3H"	-3.021828
"13826"	175.097624	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M-2H"	-2.014552
"454483"	263.150074	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M-2H"	-2.014552
"832448"	87.045174	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-2H"	-2.014552
"92277"	351.202524	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M-H"	-1.007276
"532566"	527.307424	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M-H"	-1.007276
"908181"	175.097624	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-H"	-1.007276
"59640"	368.229071	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M-2H+NH4"	16.019271
"501751"	544.333971	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M-2H+NH4"	16.019271
"878100"	192.124171	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-2H+NH4"	16.019271
"43811"	373.184466	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M-2H+Na"	20.974666
"486535"	549.289366	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M-2H+Na"	20.974666
"864178"	197.079566	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-2H+Na"	20.974666
"1633675"	197.079566	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Na-2H"	20.974666
"109720"	193.085963	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M-H+Cl"	33.962126
"549599"	281.138413	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M-H+Cl"	33.962126
"938129"	105.033513	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-H+Cl"	33.962126
"280938"	387.179202	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+Cl"	34.969402
"673480"	563.284102	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+Cl"	34.969402
"1282605"	211.074302	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Cl"	34.969402
"28079"	389.158406	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M-2H+K"	36.948606
"468369"	565.263306	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M-2H+K"	36.948606
"845441"	213.053506	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-2H+K"	36.948606
"1570760"	213.053506	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+K-2H"	36.948606
"957913"	221.103094	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-H+HCOOH"	44.998194
"376491"	397.208001	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+HCOOH-H"	44.998201
"354906"	411.223651	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+Hac-H"	59.013851
"1507995"	235.118751	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Hac-H"	59.013851
"970187"	243.085051	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-H+NaCOOH"	66.980151
"115812"	211.074302	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+2Cl"	69.938804
"557562"	299.126752	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+2Cl"	69.938804
"1025267"	123.021852	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2Cl"	69.938804
"1250311"	255.023785	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Br"	78.918885
"1310569"	257.079772	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Cl+HCOOH"	80.974872
"1323692"	279.061729	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Cl+NaCOOH"	102.956829
"914752"	289.090486	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M-H+CF3COOH"	112.985586
"1294740"	325.067164	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Cl+CF3COOH"	148.962264
"1373996"	141.092224	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H-2H2O"	-35.012676
"1397695"	159.1022	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H-H2O"	-17.0027
"297265"	353.217076	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+H"	1.007276
"690904"	529.321976	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+H"	1.007276
"1366894"	177.112176	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H"	1.007276
"141397"	177.112176	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+2H"	2.014552
"581379"	265.164626	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+2H"	2.014552
"1051783"	89.059726	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2H"	2.014552
"218223"	118.410542666667	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+3H"	3.021828
"658147"	177.112176	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+3H"	3.021828
"1174450"	59.7089093333333	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+3H"	3.021828
"435536"	370.243623	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+NH4"	18.033823
"793250"	546.348523	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+NH4"	18.033823
"1691769"	194.138723	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+NH4"	18.033823
"343693"	185.6254495	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+H+NH4"	19.041099
"734655"	273.6778995	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+H+NH4"	19.041099
"1491028"	97.5729995	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H+NH4"	19.041099
"406795"	375.199018	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+Na"	22.989218
"769935"	551.303918	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+Na"	22.989218
"1618036"	199.094118	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Na"	22.989218
"329691"	188.103147	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+H+Na"	23.996494
"722600"	276.155597	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+H+Na"	23.996494
"1474718"	100.050697	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H+Na"	23.996494
"1064687"	67.0362233333333	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2H+Na"	25.00377
"1269645"	209.138386	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+CH3OH+H"	33.033486
"386033"	391.172958	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+K"	38.963158
"747029"	567.277858	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+K"	38.963158
"1554548"	215.068058	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+K"	38.963158
"310630"	196.090117	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+H+K"	39.970434
"705970"	284.142567	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+H+K"	39.970434
"1459426"	108.037667	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H+K"	39.970434
"247662"	394.243626	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+ACN+H"	42.033826
"1224020"	218.138726	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+ACN+H"	42.033826
"1206077"	109.573001	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+ACN+2H"	43.041102
"201503"	397.18096	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+2Na-H"	44.97116
"639603"	573.28586	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+2Na-H"	44.97116
"1146030"	221.07606	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2Na-H"	44.97116
"187497"	199.094118	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+2Na"	45.978436
"626935"	287.146568	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+2Na"	45.978436
"1129711"	111.041668	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2Na"	45.978436
"1413724"	74.3635373333333	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H+2Na"	46.985712
"1445511"	223.117646	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H+HCOOH"	47.012746
"235608"	204.12714	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+3H2O+2H"	56.04448
"1524088"	237.16969	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+IsoProp+H"	61.06479
"424014"	207.081088	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+Na+K"	61.952376
"784643"	295.133538	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+Na+K"	61.952376
"1679154"	119.028638	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Na+K"	61.952376
"264581"	416.225568	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+ACN+Na"	64.015768
"1241060"	240.120668	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+ACN+Na"	64.015768
"1727150"	240.144193	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+NH4+HCOOH"	64.039293
"1193655"	81.6908513333333	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+3Na"	68.967654
"1663992"	245.099588	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Na+HCOOH"	68.994688
"170125"	429.12884	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+2K-H"	76.91904
"610411"	605.23374	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+2K-H"	76.91904
"1092371"	253.02394	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2K-H"	76.91904
"143719"	215.068058	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"2M+2K"	77.926316
"590935"	303.120508	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"3M+2K"	77.926316
"1073261"	127.015608	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2K"	77.926316
"1103189"	255.038492	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2K+H"	78.933592
"1337388"	255.126107	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+DMSO+H"	79.021207
"1009198"	259.165276	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2ACN+H"	83.060376
"1526593"	260.158908	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+IsoProp+Na+H"	84.054008
"993771"	130.086276	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+2ACN+2H"	84.067652
"1598114"	261.073528	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+K+HCOOH"	84.968628
"1427053"	291.105038	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+H+CF3COOH"	115.000138
"1157343"	150.599551	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+3ACN+2H"	125.094202
"1709080"	308.131585	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+NH4+CF3COOH"	132.026685
"1646917"	313.08698	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+Na+CF3COOH"	136.98208
"1578194"	329.06092	"C11917"	"L-Cladinose"	"C8H16O4"	"176.1049"	"M+K+CF3COOH"	152.95602
"808558"	126.0317	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M"	0
"975530"	107.01331	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-H2O-H"	-19.01839
"63239"	83.0138573333333	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M-3H"	-3.021828
"514275"	125.024424	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M-3H"	-3.021828
"888795"	41.0032906666667	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-3H"	-3.021828
"13933"	125.024424	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M-2H"	-2.014552
"454589"	188.040274	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M-2H"	-2.014552
"831301"	62.008574	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-2H"	-2.014552
"92996"	251.056124	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M-H"	-1.007276
"532675"	377.087824	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M-H"	-1.007276
"909381"	125.024424	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-H"	-1.007276
"59748"	268.082671	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M-2H+NH4"	16.019271
"500039"	394.114371	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M-2H+NH4"	16.019271
"879550"	142.050971	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-2H+NH4"	16.019271
"42828"	273.038066	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M-2H+Na"	20.974666
"487090"	399.069766	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M-2H+Na"	20.974666
"864181"	147.006366	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-2H+Na"	20.974666
"1633139"	147.006366	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Na-2H"	20.974666
"109913"	143.012763	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M-H+Cl"	33.962126
"549707"	206.028613	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M-H+Cl"	33.962126
"939333"	79.996913	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-H+Cl"	33.962126
"280805"	287.032802	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+Cl"	34.969402
"675253"	413.064502	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+Cl"	34.969402
"1285994"	161.001102	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Cl"	34.969402
"30012"	289.012006	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M-2H+K"	36.948606
"470910"	415.043706	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M-2H+K"	36.948606
"844094"	162.980306	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-2H+K"	36.948606
"1570140"	162.980306	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+K-2H"	36.948606
"957901"	171.029894	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-H+HCOOH"	44.998194
"376952"	297.061601	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+HCOOH-H"	44.998201
"357932"	311.077251	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+Hac-H"	59.013851
"1506764"	185.045551	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Hac-H"	59.013851
"970297"	193.011851	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-H+NaCOOH"	66.980151
"117016"	161.001102	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+2Cl"	69.938804
"558763"	224.016952	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+2Cl"	69.938804
"1028657"	97.985252	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2Cl"	69.938804
"1247139"	204.950585	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Br"	78.918885
"1308493"	207.006572	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Cl+HCOOH"	80.974872
"1321614"	228.988529	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Cl+NaCOOH"	102.956829
"913767"	239.017286	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M-H+CF3COOH"	112.985586
"1293757"	274.993964	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Cl+CF3COOH"	148.962264
"1370826"	91.019024	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H-2H2O"	-35.012676
"1397441"	109.029	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H-H2O"	-17.0027
"298224"	253.070676	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+H"	1.007276
"690854"	379.102376	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+H"	1.007276
"1366639"	127.038976	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H"	1.007276
"140620"	127.038976	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+2H"	2.014552
"580910"	190.054826	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+2H"	2.014552
"1052259"	64.023126	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2H"	2.014552
"217969"	85.0284093333333	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+3H"	3.021828
"659474"	127.038976	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+3H"	3.021828
"1172372"	43.0178426666667	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+3H"	3.021828
"437833"	270.097223	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+NH4"	18.033823
"792267"	396.128923	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+NH4"	18.033823
"1690786"	144.065523	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+NH4"	18.033823
"343075"	135.5522495	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+H+NH4"	19.041099
"733672"	198.5680995	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+H+NH4"	19.041099
"1490045"	72.5363995	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H+NH4"	19.041099
"406905"	275.052618	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+Na"	22.989218
"769360"	401.084318	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+Na"	22.989218
"1616607"	149.020918	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Na"	22.989218
"327978"	138.029947	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+H+Na"	23.996494
"719914"	201.045797	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+H+Na"	23.996494
"1471548"	75.014097	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H+Na"	23.996494
"1062610"	50.3451566666667	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2H+Na"	25.00377
"1269755"	159.065186	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+CH3OH+H"	33.033486
"385051"	291.026558	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+K"	38.963158
"749326"	417.058258	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+K"	38.963158
"1553565"	164.994858	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+K"	38.963158
"308554"	146.016917	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+H+K"	39.970434
"704257"	209.032767	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+H+K"	39.970434
"1458078"	83.001067	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H+K"	39.970434
"245586"	294.097226	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+ACN+H"	42.033826
"1221943"	168.065526	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+ACN+H"	42.033826
"1203272"	84.536401	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+ACN+2H"	43.041102
"197235"	297.03456	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+2Na-H"	44.97116
"635703"	423.06626	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+2Na-H"	44.97116
"1145898"	171.00286	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2Na-H"	44.97116
"187245"	149.020918	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+2Na"	45.978436
"627045"	212.036768	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+2Na"	45.978436
"1127024"	86.005068	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2Na"	45.978436
"1409091"	57.6724706666667	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H+2Na"	46.985712
"1443885"	173.044446	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H+HCOOH"	47.012746
"235287"	154.05394	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+3H2O+2H"	56.04448
"1523709"	187.09649	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+IsoProp+H"	61.06479
"423970"	157.007888	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+Na+K"	61.952376
"784267"	220.023738	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+Na+K"	61.952376
"1679264"	93.992038	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Na+K"	61.952376
"261411"	316.079168	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+ACN+Na"	64.015768
"1240320"	190.047468	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+ACN+Na"	64.015768
"1724102"	190.070993	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+NH4+HCOOH"	64.039293
"1193113"	64.9997846666667	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+3Na"	68.967654
"1664465"	195.026388	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Na+HCOOH"	68.994688
"172416"	328.98244	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+2K-H"	76.91904
"609062"	455.01414	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+2K-H"	76.91904
"1094669"	202.95074	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2K-H"	76.91904
"142736"	164.994858	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"2M+2K"	77.926316
"588858"	228.010708	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"3M+2K"	77.926316
"1072277"	101.979008	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2K"	77.926316
"1104392"	204.965292	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2K+H"	78.933592
"1337498"	205.052907	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+DMSO+H"	79.021207
"1007486"	209.092076	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2ACN+H"	83.060376
"1527431"	210.085708	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+IsoProp+Na+H"	84.054008
"1003358"	105.049676	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+2ACN+2H"	84.067652
"1594944"	211.000328	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+K+HCOOH"	84.968628
"1427163"	241.031838	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+H+CF3COOH"	115.000138
"1154173"	125.562951	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+3ACN+2H"	125.094202
"1709191"	258.058385	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+NH4+CF3COOH"	132.026685
"1645934"	263.01378	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+Na+CF3COOH"	136.98208
"1578304"	278.98772	"C11918"	"Maltol"	"C6H6O3"	"126.0317"	"M+K+CF3COOH"	152.95602
"808668"	559.1332	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M"	0
"981106"	540.11481	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-H2O-H"	-19.01839
"66069"	371.748190666667	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M-3H"	-3.021828
"514385"	558.125924	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M-3H"	-3.021828
"889998"	185.370457333333	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-3H"	-3.021828
"12949"	558.125924	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H"	-2.014552
"454460"	837.692524	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H"	-2.014552
"831777"	278.559324	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H"	-2.014552
"90675"	1117.259124	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M-H"	-1.007276
"533641"	1676.392324	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M-H"	-1.007276
"909493"	558.125924	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-H"	-1.007276
"61930"	1134.285671	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+NH4"	16.019271
"502466"	1693.418871	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+NH4"	16.019271
"877835"	575.152471	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+NH4"	16.019271
"44031"	1139.241066	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+Na"	20.974666
"486512"	1698.374266	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+Na"	20.974666
"863226"	580.107866	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+Na"	20.974666
"1631304"	580.107866	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na-2H"	20.974666
"108313"	576.114263	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M-H+Cl"	33.962126
"542647"	855.680863	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M-H+Cl"	33.962126
"931789"	296.547663	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+Cl"	33.962126
"282255"	1153.235802	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Cl"	34.969402
"675243"	1712.369002	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Cl"	34.969402
"1285985"	594.102602	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl"	34.969402
"22101"	1155.215006	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+K"	36.948606
"463849"	1714.348206	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+K"	36.948606
"845662"	596.081806	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+K"	36.948606
"1570780"	596.081806	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+K-2H"	36.948606
"957323"	604.131394	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+HCOOH"	44.998194
"374159"	1163.264601	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+HCOOH-H"	44.998201
"352939"	1177.280251	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Hac-H"	59.013851
"1503594"	618.147051	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Hac-H"	59.013851
"968949"	626.113351	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+NaCOOH"	66.980151
"114939"	594.102602	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Cl"	69.938804
"554499"	873.669202	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Cl"	69.938804
"1026579"	314.536002	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Cl"	69.938804
"1243240"	638.052085	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Br"	78.918885
"1307511"	640.108072	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+HCOOH"	80.974872
"1320308"	662.090029	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+NaCOOH"	102.956829
"912419"	672.118786	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+CF3COOH"	112.985586
"1292775"	708.095464	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+CF3COOH"	148.962264
"1367291"	524.120524	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H-2H2O"	-35.012676
"1396091"	542.1305	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H-H2O"	-17.0027
"297608"	1119.273676	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H"	1.007276
"690879"	1678.406876	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H"	1.007276
"1366869"	560.140476	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H"	1.007276
"140603"	560.140476	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2H"	2.014552
"580859"	839.707076	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2H"	2.014552
"1051758"	280.573876	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2H"	2.014552
"218077"	373.762742666667	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+3H"	3.021828
"658369"	560.140476	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+3H"	3.021828
"1173576"	187.385009333333	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+3H"	3.021828
"433569"	1136.300223	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+NH4"	18.033823
"793471"	1695.433423	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+NH4"	18.033823
"1695270"	577.167023	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4"	18.033823
"336987"	568.6537495	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+NH4"	19.041099
"737190"	848.2203495	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+NH4"	19.041099
"1492105"	289.0871495	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+NH4"	19.041099
"407872"	1141.255618	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Na"	22.989218
"768016"	1700.388818	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Na"	22.989218
"1617451"	582.122418	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na"	22.989218
"328210"	571.131447	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+Na"	23.996494
"721483"	850.698047	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+Na"	23.996494
"1470564"	291.564847	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+Na"	23.996494
"1064906"	194.712323333333	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2H+Na"	25.00377
"1269866"	592.166686	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+CH3OH+H"	33.033486
"388441"	1157.229558	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+K"	38.963158
"752716"	1716.362758	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+K"	38.963158
"1553675"	598.096358	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+K"	38.963158
"309758"	579.118417	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+K"	39.970434
"705096"	858.685017	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+K"	39.970434
"1458188"	299.551817	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+K"	39.970434
"243509"	1160.300226	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+H"	42.033826
"1217311"	601.167026	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+H"	42.033826
"1201194"	301.087151	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+2H"	43.041102
"199170"	1163.23756	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Na-H"	44.97116
"642501"	1722.37076	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Na-H"	44.97116
"1145518"	604.10436	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Na-H"	44.97116
"186255"	582.122418	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Na"	45.978436
"623628"	861.689018	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Na"	45.978436
"1126405"	302.555818	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Na"	45.978436
"1409201"	202.039637333333	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+2Na"	46.985712
"1440224"	606.145946	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+HCOOH"	47.012746
"233200"	587.15544	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+3H2O+2H"	56.04448
"1523213"	620.19799	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+H"	61.06479
"422043"	590.109388	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Na+K"	61.952376
"784258"	869.675988	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Na+K"	61.952376
"1668433"	310.542788	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+K"	61.952376
"265894"	1182.282168	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+Na"	64.015768
"1240794"	623.148968	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+Na"	64.015768
"1726035"	623.172493	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4+HCOOH"	64.039293
"1191751"	209.366951333333	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+3Na"	68.967654
"1663482"	628.127888	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+HCOOH"	68.994688
"170706"	1195.18544	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2K-H"	76.91904
"608445"	1754.31864	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2K-H"	76.91904
"1095509"	636.05224	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K-H"	76.91904
"145034"	598.096358	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2K"	77.926316
"591156"	877.662958	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2K"	77.926316
"1074575"	318.529758	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K"	77.926316
"1108877"	638.066792	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K+H"	78.933592
"1338701"	638.154407	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+DMSO+H"	79.021207
"1009417"	642.193576	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+H"	83.060376
"1527542"	643.187208	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+Na+H"	84.054008
"1004442"	321.600426	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+2H"	84.067652
"1597242"	644.101828	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+K+HCOOH"	84.968628
"1428367"	674.133338	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+CF3COOH"	115.000138
"1154283"	342.113701	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+3ACN+2H"	125.094202
"1709300"	691.159885	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4+CF3COOH"	132.026685
"1644950"	696.11528	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+CF3COOH"	136.98208
"1578414"	712.08922	"C11919"	"dTDP-L-megosamine"	"C18H31N3O13P2"	"559.1332"	"M+K+CF3COOH"	152.95602
"808778"	532.0859	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M"	0
"977936"	513.06751	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H2O-H"	-19.01839
"64356"	353.716657333333	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-3H"	-3.021828
"512308"	531.078624	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-3H"	-3.021828
"883548"	176.354690666667	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-3H"	-3.021828
"11238"	531.078624	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H"	-2.014552
"450434"	797.121574	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H"	-2.014552
"832376"	265.035674	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H"	-2.014552
"92604"	1063.164524	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-H"	-1.007276
"533264"	1595.250424	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-H"	-1.007276
"910330"	531.078624	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H"	-1.007276
"61426"	1080.191071	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+NH4"	16.019271
"498799"	1612.276971	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+NH4"	16.019271
"876970"	548.105171	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H+NH4"	16.019271
"44871"	1085.146466	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+Na"	20.974666
"485892"	1617.232366	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+Na"	20.974666
"863338"	553.060566	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H+Na"	20.974666
"1631045"	553.060566	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na-2H"	20.974666
"108302"	549.066963	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-H+Cl"	33.962126
"543851"	815.109913	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-H+Cl"	33.962126
"935179"	283.024013	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+Cl"	33.962126
"282125"	1099.141202	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Cl"	34.969402
"674546"	1631.227102	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+Cl"	34.969402
"1282936"	567.055302	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl"	34.969402
"26585"	1101.120406	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+K"	36.948606
"462867"	1633.206306	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+K"	36.948606
"843949"	569.034506	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H+K"	36.948606
"1569632"	569.034506	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K-2H"	36.948606
"957515"	577.084094	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+HCOOH"	44.998194
"373539"	1109.170001	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+HCOOH-H"	44.998201
"353049"	1123.185651	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Hac-H"	59.013851
"1503340"	591.099751	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Hac-H"	59.013851
"969788"	599.066051	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+NaCOOH"	66.980151
"112863"	567.055302	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2Cl"	69.938804
"556797"	833.098252	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2Cl"	69.938804
"1028877"	301.012352	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2Cl"	69.938804
"1247360"	611.004785	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Br"	78.918885
"1307986"	613.060772	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+HCOOH"	80.974872
"1322564"	635.042729	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+NaCOOH"	102.956829
"913259"	645.071486	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+CF3COOH"	112.985586
"1289968"	681.048164	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+CF3COOH"	148.962264
"1368860"	497.073224	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H-2H2O"	-35.012676
"1395107"	515.0832	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H-H2O"	-17.0027
"295891"	1065.179076	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H"	1.007276
"690499"	1597.264976	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H"	1.007276
"1366378"	533.093176	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H"	1.007276
"140590"	533.093176	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2H"	2.014552
"580282"	799.136126	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2H"	2.014552
"1052234"	267.050226	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2H"	2.014552
"217093"	355.731209333333	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+3H"	3.021828
"659338"	533.093176	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+3H"	3.021828
"1171499"	178.369242666667	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+3H"	3.021828
"431492"	1082.205623	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+NH4"	18.033823
"793581"	1614.291523	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+NH4"	18.033823
"1693193"	550.119723	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+NH4"	18.033823
"338190"	541.6064495	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H+NH4"	19.041099
"737173"	807.6493995	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H+NH4"	19.041099
"1492218"	275.5634995	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+NH4"	19.041099
"408504"	1087.161018	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Na"	22.989218
"769095"	1619.246918	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+Na"	22.989218
"1618245"	555.075118	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na"	22.989218
"327955"	544.084147	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H+Na"	23.996494
"721710"	810.127097	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H+Na"	23.996494
"1469581"	278.041197	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+Na"	23.996494
"1065016"	185.696556666667	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2H+Na"	25.00377
"1272290"	565.119386	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+CH3OH+H"	33.033486
"391831"	1103.134958	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+K"	38.963158
"752826"	1635.220858	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+K"	38.963158
"1551597"	571.049058	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K"	38.963158
"308774"	552.071117	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H+K"	39.970434
"701197"	818.114067	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H+K"	39.970434
"1455018"	286.028167	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+K"	39.970434
"243617"	1106.205626	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+H"	42.033826
"1214140"	574.119726	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+H"	42.033826
"1200211"	287.563501	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+2H"	43.041102
"197457"	1109.14296	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na-H"	44.97116
"641757"	1641.22886	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na-H"	44.97116
"1144534"	577.05706	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2Na-H"	44.97116
"186365"	555.075118	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na"	45.978436
"623373"	821.118068	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na"	45.978436
"1127972"	289.032168	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2Na"	45.978436
"1404937"	193.023870666667	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+2Na"	46.985712
"1437054"	579.098646	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+HCOOH"	47.012746
"231123"	560.10814	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+3H2O+2H"	56.04448
"1519552"	593.15069	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+H"	61.06479
"420697"	563.062088	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Na+K"	61.952376
"782785"	829.105038	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+Na+K"	61.952376
"1668543"	297.019138	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na+K"	61.952376
"266492"	1128.187568	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+Na"	64.015768
"1240899"	596.101668	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+Na"	64.015768
"1725416"	596.125193	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+HCOOH"	64.039293
"1189676"	200.351184666667	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+3Na"	68.967654
"1664446"	601.080588	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na+HCOOH"	68.994688
"170087"	1141.09084	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2K-H"	76.91904
"610011"	1673.17674	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2K-H"	76.91904
"1094887"	609.00494	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2K-H"	76.91904
"148424"	571.049058	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2K"	77.926316
"589078"	837.092008	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2K"	77.926316
"1077965"	305.006108	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2K"	77.926316
"1110081"	611.019492	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2K+H"	78.933592
"1338811"	611.107107	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+DMSO+H"	79.021207
"1009527"	615.146276	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+H"	83.060376
"1529840"	616.139908	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+Na+H"	84.054008
"1003944"	308.076776	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+2H"	84.067652
"1595164"	617.054528	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K+HCOOH"	84.968628
"1427385"	647.086038	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+CF3COOH"	115.000138
"1154393"	328.590051	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+3ACN+2H"	125.094202
"1709410"	664.112585	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+CF3COOH"	132.026685
"1647247"	669.06798	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na+CF3COOH"	136.98208
"1578524"	685.04192	"C11920"	"dTDP-L-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K+CF3COOH"	152.95602
"808888"	546.1016	"C11921"	"dTDP-L-oleandrose"	"C17H28N2O14P2"	"546.1016"	"M"	0
"980233"	527.08321	"C11921"	"dTDP-L-oleandrose"	"C17H28N2O14P2"	"546.1016"	"M-H2O-H"	-19.01839
"68477"	363.060457333333	"C11921"	"dTDP-L-oleandrose"	"C17H28N2O14P2"	"546.1016"	"2M-3H"	-3.021828
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"556907"	854.121802	"C11921"	"dTDP-L-oleandrose"	"C17H28N2O14P2"	"546.1016"	"3M+2Cl"	69.938804
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"1243096"	625.020485	"C11921"	"dTDP-L-oleandrose"	"C17H28N2O14P2"	"546.1016"	"M+Br"	78.918885
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"452477"	794.098174	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M-2H"	-2.014552
"829916"	264.027874	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-2H"	-2.014552
"92461"	1059.133324	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M-H"	-1.007276
"533891"	1589.203624	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M-H"	-1.007276
"909822"	529.063024	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-H"	-1.007276
"60554"	1076.159871	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+NH4"	16.019271
"499384"	1606.230171	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+NH4"	16.019271
"878772"	546.089571	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-2H+NH4"	16.019271
"43997"	1081.115266	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+Na"	20.974666
"486111"	1611.185566	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+Na"	20.974666
"863309"	551.044966	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-2H+Na"	20.974666
"1633087"	551.044966	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Na-2H"	20.974666
"107792"	547.051363	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M-H+Cl"	33.962126
"546258"	812.086513	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M-H+Cl"	33.962126
"937586"	282.016213	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-H+Cl"	33.962126
"281368"	1095.110002	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+Cl"	34.969402
"673909"	1625.180302	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+Cl"	34.969402
"1283155"	565.039702	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Cl"	34.969402
"25712"	1097.089206	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+K"	36.948606
"465272"	1627.159506	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+K"	36.948606
"844168"	567.018906	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-2H+K"	36.948606
"1567662"	567.018906	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+K-2H"	36.948606
"953357"	575.068494	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-H+HCOOH"	44.998194
"373758"	1105.138801	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+HCOOH-H"	44.998201
"353269"	1119.154451	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+Hac-H"	59.013851
"1503924"	589.084151	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Hac-H"	59.013851
"969280"	597.050451	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-H+NaCOOH"	66.980151
"117456"	565.039702	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+2Cl"	69.938804
"550698"	830.074852	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+2Cl"	69.938804
"1022777"	300.004552	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2Cl"	69.938804
"1243446"	608.989185	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Br"	78.918885
"1304559"	611.045172	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+HCOOH"	80.974872
"1321081"	633.027129	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+NaCOOH"	102.956829
"912383"	643.055886	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M-H+CF3COOH"	112.985586
"1288561"	679.032564	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+CF3COOH"	148.962264
"1369442"	495.057624	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H-2H2O"	-35.012676
"1384389"	513.0676	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H-H2O"	-17.0027
"293924"	1061.147876	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+H"	1.007276
"683064"	1591.218176	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+H"	1.007276
"1364880"	531.077576	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H"	1.007276
"132300"	531.077576	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+2H"	2.014552
"580247"	796.112726	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+2H"	2.014552
"1051596"	266.042426	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2H"	2.014552
"218040"	354.387476	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+3H"	3.021828
"656873"	531.077576	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+3H"	3.021828
"1173905"	177.697376	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+3H"	3.021828
"431711"	1078.174423	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+NH4"	18.033823
"793801"	1608.244723	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+NH4"	18.033823
"1689038"	548.104123	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+NH4"	18.033823
"337314"	539.5908495	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+H+NH4"	19.041099
"736300"	804.6259995	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+H+NH4"	19.041099
"1490122"	274.5556995	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H+NH4"	19.041099
"405523"	1083.129818	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+Na"	22.989218
"764332"	1613.200118	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+Na"	22.989218
"1614615"	553.059518	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Na"	22.989218
"327931"	542.068547	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+H+Na"	23.996494
"720350"	807.103697	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+H+Na"	23.996494
"1468707"	277.033397	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H+Na"	23.996494
"1065237"	185.02469	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2H+Na"	25.00377
"1271655"	563.103786	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+CH3OH+H"	33.033486
"384397"	1099.103758	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+K"	38.963158
"750131"	1629.174058	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+K"	38.963158
"1549630"	569.033458	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+K"	38.963158
"308993"	550.055517	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+H+K"	39.970434
"701414"	815.090667	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+H+K"	39.970434
"1454141"	285.020367	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H+K"	39.970434
"241649"	1102.174426	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+H"	42.033826
"1213265"	572.104126	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+H"	42.033826
"1198243"	286.555701	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+2H"	43.041102
"196583"	1105.11176	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na-H"	44.97116
"637237"	1635.18206	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na-H"	44.97116
"1140742"	575.04146	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2Na-H"	44.97116
"184396"	553.059518	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na"	45.978436
"627235"	818.094668	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na"	45.978436
"1124910"	288.024368	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2Na"	45.978436
"1401146"	192.352004	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H+2Na"	46.985712
"1436180"	577.083046	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H+HCOOH"	47.012746
"231343"	558.09254	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+3H2O+2H"	56.04448
"1515032"	591.13509	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+H"	61.06479
"415811"	561.046488	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+Na+K"	61.952376
"781181"	826.081638	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+Na+K"	61.952376
"1668763"	296.011338	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Na+K"	61.952376
"264767"	1124.156368	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+Na"	64.015768
"1240024"	594.086068	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+Na"	64.015768
"1722353"	594.109593	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+HCOOH"	64.039293
"1193175"	199.679318	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+3Na"	68.967654
"1663446"	599.064988	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Na+HCOOH"	68.994688
"169577"	1137.05964	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+2K-H"	76.91904
"610596"	1667.12994	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+2K-H"	76.91904
"1091827"	606.98934	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2K-H"	76.91904
"147551"	569.033458	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"2M+2K"	77.926316
"589299"	834.068608	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"3M+2K"	77.926316
"1072718"	303.998308	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2K"	77.926316
"1110302"	609.003892	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2K+H"	78.933592
"1337938"	609.091507	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+DMSO+H"	79.021207
"1008654"	613.130676	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+H"	83.060376
"1526779"	614.124308	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+Na+H"	84.054008
"998696"	307.068976	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+2H"	84.067652
"1596478"	615.038928	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+K+HCOOH"	84.968628
"1424324"	645.070438	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+H+CF3COOH"	115.000138
"1157893"	327.582251	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+3ACN+2H"	125.094202
"1709630"	662.096985	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+CF3COOH"	132.026685
"1647467"	667.05238	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+Na+CF3COOH"	136.98208
"1578744"	683.02632	"C11922"	"dTDP-4-oxo-26-dideoxy-D-glucose;dTDP-4-oxo-26-dideoxy-alpha-D-glucose;dTDP-4-dehydro-26-dideoxy-alpha-D-glucose;dTDP-4-keto-26-dideoxy-D-glucose"	"C16H24N2O14P2"	"530.0703"	"M+K+CF3COOH"	152.95602
"809108"	532.0859	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M"	0
"979360"	513.06751	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H2O-H"	-19.01839
"68697"	353.716657333333	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-3H"	-3.021828
"516651"	531.078624	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-3H"	-3.021828
"892627"	176.354690666667	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-3H"	-3.021828
"15216"	531.078624	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H"	-2.014552
"455666"	797.121574	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H"	-2.014552
"832713"	265.035674	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H"	-2.014552
"94162"	1063.164524	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-H"	-1.007276
"533755"	1595.250424	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-H"	-1.007276
"911242"	531.078624	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H"	-1.007276
"61882"	1080.191071	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+NH4"	16.019271
"502291"	1612.276971	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+NH4"	16.019271
"879003"	548.105171	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H+NH4"	16.019271
"46784"	1085.146466	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+Na"	20.974666
"486588"	1617.232366	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+Na"	20.974666
"864072"	553.060566	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H+Na"	20.974666
"1631011"	553.060566	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na-2H"	20.974666
"105716"	549.066963	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-H+Cl"	33.962126
"546368"	815.109913	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-H+Cl"	33.962126
"939883"	283.024013	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+Cl"	33.962126
"282536"	1099.141202	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Cl"	34.969402
"673050"	1631.227102	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+Cl"	34.969402
"1286546"	567.055302	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl"	34.969402
"26916"	1101.120406	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+K"	36.948606
"468663"	1633.206306	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+K"	36.948606
"847802"	569.034506	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-2H+K"	36.948606
"1570694"	569.034506	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K-2H"	36.948606
"957479"	577.084094	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+HCOOH"	44.998194
"372776"	1109.170001	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+HCOOH-H"	44.998201
"357755"	1123.185651	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Hac-H"	59.013851
"1506587"	591.099751	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Hac-H"	59.013851
"972306"	599.066051	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+NaCOOH"	66.980151
"120846"	567.055302	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2Cl"	69.938804
"559314"	833.098252	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2Cl"	69.938804
"1029207"	301.012352	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2Cl"	69.938804
"1246597"	611.004785	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Br"	78.918885
"1307952"	613.060772	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+HCOOH"	80.974872
"1323262"	635.042729	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+NaCOOH"	102.956829
"912375"	645.071486	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M-H+CF3COOH"	112.985586
"1290056"	681.048164	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+CF3COOH"	148.962264
"1373565"	497.073224	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H-2H2O"	-35.012676
"1387782"	515.0832	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H-H2O"	-17.0027
"296220"	1065.179076	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H"	1.007276
"691309"	1597.264976	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H"	1.007276
"1366931"	533.093176	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H"	1.007276
"140430"	533.093176	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2H"	2.014552
"581297"	799.136126	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2H"	2.014552
"1051707"	267.050226	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2H"	2.014552
"219368"	355.731209333333	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+3H"	3.021828
"659706"	533.093176	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+3H"	3.021828
"1176201"	178.369242666667	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+3H"	3.021828
"434006"	1082.205623	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+NH4"	18.033823
"797187"	1614.291523	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+NH4"	18.033823
"1695345"	550.119723	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+NH4"	18.033823
"343988"	541.6064495	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H+NH4"	19.041099
"737871"	807.6493995	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H+NH4"	19.041099
"1491325"	275.5634995	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+NH4"	19.041099
"407092"	1087.161018	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Na"	22.989218
"767724"	1619.246918	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+Na"	22.989218
"1616917"	555.075118	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na"	22.989218
"329380"	544.084147	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H+Na"	23.996494
"722164"	810.127097	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H+Na"	23.996494
"1472097"	278.041197	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+Na"	23.996494
"1066805"	185.696556666667	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2H+Na"	25.00377
"1272130"	565.119386	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+CH3OH+H"	33.033486
"383414"	1103.134958	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+K"	38.963158
"748783"	1635.220858	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+K"	38.963158
"1550470"	571.049058	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K"	38.963158
"310563"	552.071117	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+H+K"	39.970434
"703347"	818.114067	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+H+K"	39.970434
"1458626"	286.028167	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+K"	39.970434
"242853"	1106.205626	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+H"	42.033826
"1220666"	574.119726	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+H"	42.033826
"1206373"	287.563501	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+2H"	43.041102
"199608"	1109.14296	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na-H"	44.97116
"641725"	1641.22886	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na-H"	44.97116
"1143768"	577.05706	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2Na-H"	44.97116
"187423"	555.075118	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na"	45.978436
"627834"	821.118068	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na"	45.978436
"1128301"	289.032168	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2Na"	45.978436
"1408548"	193.023870666667	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+2Na"	46.985712
"1436290"	579.098646	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+HCOOH"	47.012746
"233278"	560.10814	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+3H2O+2H"	56.04448
"1518422"	593.15069	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+H"	61.06479
"415921"	563.062088	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+Na+K"	61.952376
"775092"	829.105038	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+Na+K"	61.952376
"1672154"	297.019138	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na+K"	61.952376
"265235"	1128.187568	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+Na"	64.015768
"1238677"	596.101668	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+Na"	64.015768
"1727932"	596.125193	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+HCOOH"	64.039293
"1193285"	200.351184666667	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+3Na"	68.967654
"1664409"	601.080588	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na+HCOOH"	68.994688
"171147"	1141.09084	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2K-H"	76.91904
"612364"	1673.17674	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2K-H"	76.91904
"1094124"	609.00494	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2K-H"	76.91904
"145474"	571.049058	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"2M+2K"	77.926316
"583089"	837.092008	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"3M+2K"	77.926316
"1070028"	305.006108	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2K"	77.926316
"1103849"	611.019492	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2K+H"	78.933592
"1339142"	611.107107	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+DMSO+H"	79.021207
"1010950"	615.146276	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+H"	83.060376
"1529077"	616.139908	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+Na+H"	84.054008
"994430"	308.076776	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+2H"	84.067652
"1592213"	617.054528	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K+HCOOH"	84.968628
"1421154"	647.086038	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+H+CF3COOH"	115.000138
"1156910"	328.590051	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+3ACN+2H"	125.094202
"1708648"	664.112585	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+CF3COOH"	132.026685
"1646484"	669.06798	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+Na+CF3COOH"	136.98208
"1578854"	685.04192	"C11923"	"dTDP-D-olivose;dTDP-26-dideoxy-D-glucose;dTDP-alpha-D-olivose"	"C16H26N2O14P2"	"532.0859"	"M+K+CF3COOH"	152.95602
"809218"	166.0994	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M"	0
"978375"	147.08101	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"67712"	109.725657333333	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"511646"	165.092124	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"887269"	54.3591906666667	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"8032"	165.092124	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"451969"	248.141824	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"831232"	82.042424	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"92318"	331.191524	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"531148"	497.290924	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"901656"	165.092124	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"60045"	348.218071	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"499241"	514.317471	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"873400"	182.118671	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"43488"	353.173466	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"484507"	519.272866	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"861943"	187.074066	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1630017"	187.074066	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"104732"	183.080463	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"542104"	266.130163	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"935619"	100.030763	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"278548"	367.168202	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"672066"	533.267602	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1281189"	201.068802	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"20465"	369.147406	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"466586"	535.246806	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"844386"	203.048006	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1570316"	203.048006	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"956130"	211.097594	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"372886"	377.197001	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"354583"	391.212651	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1504145"	225.113251	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"972052"	233.079551	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"120592"	201.068802	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"559424"	284.118502	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1028224"	118.019102	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1245614"	245.018285	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1306969"	247.074272	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1324466"	269.056229	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"912242"	279.084986	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1290045"	315.061664	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1372582"	131.086724	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1386799"	149.0967	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"294143"	333.206076	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"689481"	499.305476	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1365466"	167.106676	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"139447"	167.106676	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"578644"	250.156376	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1045256"	84.056976	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"213157"	111.740209333333	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"657822"	167.106676	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1174123"	56.3737426666667	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"431928"	350.232623	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"796204"	516.332023	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1693633"	184.133223	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"343006"	175.6199495	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"737620"	258.6696495	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1491437"	92.5702495	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"407204"	355.188018	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"768200"	521.287418	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1616663"	189.088618	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"329007"	178.097647	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"720939"	261.147347	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1473301"	95.047947	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1066915"	63.7010566666667	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1271877"	199.132886	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"383524"	371.161958	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"746706"	537.261358	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1550944"	205.062558	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"312496"	186.084617	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"703823"	269.134317	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1458007"	103.034917	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"246243"	374.232626	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1220776"	208.133226	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1203201"	104.570251	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"196800"	377.16996	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"641833"	543.26936	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1143149"	211.07056	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"186076"	189.088618	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"625271"	272.138318	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1125861"	106.038918	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1404284"	71.0283706666667	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1436399"	213.112146	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"233751"	194.12164	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1521813"	227.16419	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"416032"	197.075588	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"775933"	280.125288	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1675545"	114.025888	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"264253"	396.214568	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1231493"	230.115168	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1726949"	230.138693	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1192913"	78.3556846666667	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1663664"	235.094088	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"171255"	409.11784	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"610447"	575.21724	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1093142"	243.01844	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"144491"	205.062558	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"582958"	288.112258	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1071842"	122.012858	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1105051"	245.032992	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1341436"	245.120607	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1008873"	249.159776	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1527000"	250.153408	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"993447"	125.083526	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1595603"	251.068028	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1422355"	281.099538	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1158113"	145.596801	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1710944"	298.126085	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1647687"	303.08148	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1578964"	319.05542	"C11924"	"Perillic acid"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"803859"	547.0968	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M"	0
"977391"	528.07841	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-H2O-H"	-19.01839
"68916"	363.723924	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M-3H"	-3.021828
"512850"	546.089524	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M-3H"	-3.021828
"887379"	181.358324	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-3H"	-3.021828
"4861"	546.089524	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M-2H"	-2.014552
"452443"	819.637924	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M-2H"	-2.014552
"832359"	272.541124	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-2H"	-2.014552
"92305"	1093.186324	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M-H"	-1.007276
"532230"	1640.283124	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M-H"	-1.007276
"902859"	546.089524	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-H"	-1.007276
"60519"	1110.212871	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+NH4"	16.019271
"497527"	1657.309671	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+NH4"	16.019271
"875696"	563.116071	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-2H+NH4"	16.019271
"45179"	1115.168266	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+Na"	20.974666
"484252"	1662.265066	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+Na"	20.974666
"860959"	568.071466	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-2H+Na"	20.974666
"1625024"	568.071466	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Na-2H"	20.974666
"104841"	564.077863	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M-H+Cl"	33.962126
"542214"	837.626263	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M-H+Cl"	33.962126
"937915"	290.529463	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-H+Cl"	33.962126
"280602"	1129.163002	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+Cl"	34.969402
"672175"	1676.259802	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+Cl"	34.969402
"1281299"	582.066202	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Cl"	34.969402
"19481"	1131.142206	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+K"	36.948606
"461228"	1678.239006	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+K"	36.948606
"841216"	584.045406	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-2H+K"	36.948606
"1570183"	584.045406	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+K-2H"	36.948606
"955876"	592.094994	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-H+HCOOH"	44.998194
"375914"	1139.191801	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+HCOOH-H"	44.998201
"359432"	1153.207451	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+Hac-H"	59.013851
"1506443"	606.110651	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Hac-H"	59.013851
"972526"	614.076951	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-H+NaCOOH"	66.980151
"124349"	582.066202	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+2Cl"	69.938804
"561721"	855.614602	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+2Cl"	69.938804
"1033801"	308.517802	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2Cl"	69.938804
"1251192"	626.015685	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Br"	78.918885
"1313640"	628.071672	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+HCOOH"	80.974872
"1324577"	650.053629	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+NaCOOH"	102.956829
"916727"	660.082386	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M-H+CF3COOH"	112.985586
"1294529"	696.059064	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+CF3COOH"	148.962264
"1375972"	512.084124	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H-2H2O"	-35.012676
"1386906"	530.0941	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H-H2O"	-17.0027
"290972"	1095.200876	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+H"	1.007276
"684487"	1642.297676	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+H"	1.007276
"1357556"	548.104076	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H"	1.007276
"134819"	548.104076	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+2H"	2.014552
"572189"	821.652476	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+2H"	2.014552
"1045364"	274.555676	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2H"	2.014552
"213266"	365.738476	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+3H"	3.021828
"651734"	548.104076	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+3H"	3.021828
"1169858"	183.372876	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+3H"	3.021828
"432038"	1112.227423	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+NH4"	18.033823
"794128"	1659.324223	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+NH4"	18.033823
"1693738"	565.130623	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+NH4"	18.033823
"338737"	556.6173495	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+H+NH4"	19.041099
"735534"	830.1657495	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+H+NH4"	19.041099
"1491914"	283.0689495	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H+NH4"	19.041099
"406583"	1117.182818	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+Na"	22.989218
"769037"	1664.279618	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+Na"	22.989218
"1617623"	570.086018	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Na"	22.989218
"329358"	559.095047	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+H+Na"	23.996494
"720806"	832.643447	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+H+Na"	23.996494
"1471224"	285.546647	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H+Na"	23.996494
"1064473"	190.70019	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2H+Na"	25.00377
"1269432"	580.130286	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+CH3OH+H"	33.033486
"384728"	1133.156758	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+K"	38.963158
"746816"	1680.253558	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+K"	38.963158
"1549961"	586.059958	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+K"	38.963158
"312607"	567.082017	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+H+K"	39.970434
"705390"	840.630417	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+H+K"	39.970434
"1459210"	293.533617	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H+K"	39.970434
"249271"	1136.227426	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+H"	42.033826
"1220886"	589.130626	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+H"	42.033826
"1204039"	295.068951	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+2H"	43.041102
"198003"	1139.16476	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na-H"	44.97116
"642672"	1686.26156	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na-H"	44.97116
"1144352"	592.06796	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2Na-H"	44.97116
"186915"	570.086018	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na"	45.978436
"626838"	843.634418	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na"	45.978436
"1129250"	296.537618	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2Na"	45.978436
"1403301"	198.027504	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H+2Na"	46.985712
"1435416"	594.109546	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H+HCOOH"	47.012746
"233861"	575.11904	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+3H2O+2H"	56.04448
"1521923"	608.16159	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+H"	61.06479
"416142"	578.072988	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+Na+K"	61.952376
"776043"	851.621388	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+Na+K"	61.952376
"1667997"	304.524588	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Na+K"	61.952376
"266186"	1158.209368	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+Na"	64.015768
"1231603"	611.112568	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+Na"	64.015768
"1724510"	611.136093	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+HCOOH"	64.039293
"1190594"	205.354818	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+3Na"	68.967654
"1664139"	616.091488	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Na+HCOOH"	68.994688
"169542"	1171.11264	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+2K-H"	76.91904
"608736"	1718.20944	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+2K-H"	76.91904
"1099209"	624.01584	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2K-H"	76.91904
"146789"	586.059958	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"2M+2K"	77.926316
"586349"	859.608358	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"3M+2K"	77.926316
"1075235"	312.511558	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2K"	77.926316
"1109538"	626.030392	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2K+H"	78.933592
"1341549"	626.118007	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+DMSO+H"	79.021207
"1008984"	630.157176	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+H"	83.060376
"1527110"	631.150808	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+Na+H"	84.054008
"996837"	315.582226	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+2H"	84.067652
"1597900"	632.065428	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+K+HCOOH"	84.968628
"1426477"	662.096938	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+H+CF3COOH"	115.000138
"1158222"	336.095501	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+3ACN+2H"	125.094202
"1707774"	679.123485	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+CF3COOH"	132.026685
"1641235"	684.07888	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+Na+CF3COOH"	136.98208
"1579074"	700.05282	"C11925"	"dTDP-3-amino-36-dideoxy-D-glucose"	"C16H27N3O14P2"	"547.0968"	"M+K+CF3COOH"	152.95602
"809438"	546.0652	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M"	0
"976408"	527.04681	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-H2O-H"	-19.01839
"66840"	363.036190666667	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M-3H"	-3.021828
"509681"	545.057924	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M-3H"	-3.021828
"892957"	181.014457333333	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-3H"	-3.021828
"13721"	545.057924	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H"	-2.014552
"453647"	818.090524	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H"	-2.014552
"832426"	272.025324	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-2H"	-2.014552
"93510"	1091.123124	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M-H"	-1.007276
"532096"	1637.188324	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M-H"	-1.007276
"904062"	545.057924	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-H"	-1.007276
"60265"	1108.149671	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+NH4"	16.019271
"498000"	1654.214871	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+NH4"	16.019271
"878971"	562.084471	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+NH4"	16.019271
"46261"	1113.105066	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+Na"	20.974666
"486431"	1659.170266	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+Na"	20.974666
"861069"	567.039866	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+Na"	20.974666
"1625134"	567.039866	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Na-2H"	20.974666
"98392"	563.046263	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M-H+Cl"	33.962126
"540139"	836.078863	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M-H+Cl"	33.962126
"931467"	290.013663	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-H+Cl"	33.962126
"270382"	1127.099802	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+Cl"	34.969402
"666820"	1673.165002	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+Cl"	34.969402
"1280315"	581.034602	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl"	34.969402
"18498"	1129.079006	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+K"	36.948606
"461338"	1675.144206	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+K"	36.948606
"838045"	583.013806	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+K"	36.948606
"1567015"	583.013806	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+K-2H"	36.948606
"955623"	591.063394	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-H+HCOOH"	44.998194
"372015"	1137.128601	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+HCOOH-H"	44.998201
"353711"	1151.144251	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+Hac-H"	59.013851
"1504366"	605.079051	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Hac-H"	59.013851
"972271"	613.045351	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-H+NaCOOH"	66.980151
"122635"	581.034602	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Cl"	69.938804
"558550"	854.067202	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Cl"	69.938804
"1028444"	308.002002	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2Cl"	69.938804
"1248023"	624.984085	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Br"	78.918885
"1310471"	627.040072	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+HCOOH"	80.974872
"1327967"	649.022029	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+NaCOOH"	102.956829
"921213"	659.050786	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M-H+CF3COOH"	112.985586
"1296828"	695.027464	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+CF3COOH"	148.962264
"1373895"	511.052524	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H-2H2O"	-35.012676
"1390297"	529.0625	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H-H2O"	-17.0027
"295826"	1093.137676	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+H"	1.007276
"684598"	1639.202876	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+H"	1.007276
"1357667"	547.072476	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H"	1.007276
"134929"	547.072476	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+2H"	2.014552
"570479"	820.105076	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+2H"	2.014552
"1042193"	274.039876	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2H"	2.014552
"212283"	365.050742666667	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+3H"	3.021828
"651844"	547.072476	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+3H"	3.021828
"1169970"	183.029009333333	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+3H"	3.021828
"430324"	1110.164223	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+NH4"	18.033823
"794238"	1656.229423	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+NH4"	18.033823
"1690568"	564.099023	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4"	18.033823
"338846"	555.5857495	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+NH4"	19.041099
"733456"	828.6183495	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+NH4"	19.041099
"1488372"	282.5531495	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H+NH4"	19.041099
"401592"	1115.119618	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+Na"	22.989218
"763681"	1661.184818	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+Na"	22.989218
"1611777"	569.054418	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Na"	22.989218
"325092"	558.063447	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+Na"	23.996494
"719699"	831.096047	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+Na"	23.996494
"1470239"	285.030847	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H+Na"	23.996494
"1058021"	190.356323333333	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2H+Na"	25.00377
"1266260"	579.098686	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+CH3OH+H"	33.033486
"381559"	1131.093558	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+K"	38.963158
"748021"	1677.158758	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+K"	38.963158
"1553719"	585.028358	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+K"	38.963158
"312352"	566.050417	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+K"	39.970434
"705870"	839.083017	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+K"	39.970434
"1456769"	293.017817	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H+K"	39.970434
"244276"	1134.164226	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+H"	42.033826
"1221360"	588.099026	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+H"	42.033826
"1207071"	294.553151	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+2H"	43.041102
"203103"	1137.10156	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na-H"	44.97116
"641688"	1683.16676	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na-H"	44.97116
"1145192"	591.03636	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2Na-H"	44.97116
"185200"	569.054418	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na"	45.978436
"627314"	842.087018	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na"	45.978436
"1126442"	296.021818	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2Na"	45.978436
"1407414"	197.683637333333	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H+2Na"	46.985712
"1435886"	593.077946	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H+HCOOH"	47.012746
"229596"	574.08744	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+3H2O+2H"	56.04448
"1515470"	607.12999	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+H"	61.06479
"414061"	577.041388	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+Na+K"	61.952376
"777246"	850.073988	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+Na+K"	61.952376
"1667014"	304.008788	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+K"	61.952376
"254628"	1156.146168	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+Na"	64.015768
"1232806"	610.080968	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+Na"	64.015768
"1724620"	610.104493	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+HCOOH"	64.039293
"1189611"	205.010951333333	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+3Na"	68.967654
"1664247"	615.059888	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+HCOOH"	68.994688
"170381"	1169.04944	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+2K-H"	76.91904
"609210"	1715.11464	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+2K-H"	76.91904
"1098956"	622.98424	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2K-H"	76.91904
"142646"	585.028358	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"2M+2K"	77.926316
"585366"	858.060958	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"3M+2K"	77.926316
"1074251"	311.995758	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2K"	77.926316
"1108555"	624.998792	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2K+H"	78.933592
"1341660"	625.086407	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+DMSO+H"	79.021207
"1013469"	629.125576	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+H"	83.060376
"1529407"	630.119208	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+Na+H"	84.054008
"994762"	315.066426	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+2H"	84.067652
"1595825"	631.033828	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+K+HCOOH"	84.968628
"1424764"	661.065338	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+H+CF3COOH"	115.000138
"1158333"	335.579701	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+3ACN+2H"	125.094202
"1707883"	678.091885	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+CF3COOH"	132.026685
"1642439"	683.04728	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+CF3COOH"	136.98208
"1579184"	699.02122	"C11926"	"dTDP-4-oxo-6-deoxy-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-allose;dTDP-4-dehydro-6-deoxy-alpha-D-gulose"	"C16H24N2O15P2"	"546.0652"	"M+K+CF3COOH"	152.95602
"805173"	530.0703	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M"	0
"976517"	511.05191	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-H2O-H"	-19.01839
"69137"	352.372924	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M-3H"	-3.021828
"510882"	529.063024	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M-3H"	-3.021828
"887599"	175.682824	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-3H"	-3.021828
"8362"	529.063024	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M-2H"	-2.014552
"454485"	794.098174	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M-2H"	-2.014552
"832617"	264.027874	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-2H"	-2.014552
"93742"	1059.133324	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M-H"	-1.007276
"533666"	1589.203624	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M-H"	-1.007276
"910496"	529.063024	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-H"	-1.007276
"62200"	1076.159871	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+NH4"	16.019271
"501755"	1606.230171	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+NH4"	16.019271
"879842"	546.089571	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-2H+NH4"	16.019271
"46947"	1081.115266	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+Na"	20.974666
"486384"	1611.185566	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+Na"	20.974666
"862272"	551.044966	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-2H+Na"	20.974666
"1631441"	551.044966	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Na-2H"	20.974666
"98502"	547.051363	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M-H+Cl"	33.962126
"540613"	812.086513	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M-H+Cl"	33.962126
"929754"	282.016213	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-H+Cl"	33.962126
"270494"	1095.110002	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+Cl"	34.969402
"666930"	1625.180302	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+Cl"	34.969402
"1282612"	565.039702	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Cl"	34.969402
"19701"	1097.089206	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+K"	36.948606
"464728"	1627.159506	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+K"	36.948606
"838155"	567.018906	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-2H+K"	36.948606
"1566030"	567.018906	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+K-2H"	36.948606
"955733"	575.068494	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-H+HCOOH"	44.998194
"372125"	1105.138801	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+HCOOH-H"	44.998201
"354914"	1119.154451	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+Hac-H"	59.013851
"1504840"	589.084151	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Hac-H"	59.013851
"972017"	597.050451	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-H+NaCOOH"	66.980151
"124202"	565.039702	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+2Cl"	69.938804
"558660"	830.074852	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+2Cl"	69.938804
"1028554"	300.004552	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2Cl"	69.938804
"1248133"	608.989185	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Br"	78.918885
"1312767"	611.045172	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+HCOOH"	80.974872
"1329170"	633.027129	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+NaCOOH"	102.956829
"921321"	643.055886	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M-H+CF3COOH"	112.985586
"1294750"	679.032564	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+CF3COOH"	148.962264
"1369630"	495.057624	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H-2H2O"	-35.012676
"1388219"	513.0676	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H-H2O"	-17.0027
"296297"	1061.147876	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+H"	1.007276
"684708"	1591.218176	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+H"	1.007276
"1361057"	531.077576	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H"	1.007276
"133945"	531.077576	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+2H"	2.014552
"573503"	796.112726	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+2H"	2.014552
"1043396"	266.042426	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2H"	2.014552
"212391"	354.387476	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+3H"	3.021828
"653047"	531.077576	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+3H"	3.021828
"1171173"	177.697376	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+3H"	3.021828
"430433"	1078.174423	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+NH4"	18.033823
"792159"	1608.244723	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+NH4"	18.033823
"1689584"	548.104123	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+NH4"	18.033823
"338955"	539.5908495	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+H+NH4"	19.041099
"734293"	804.6259995	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+H+NH4"	19.041099
"1487383"	274.5556995	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H+NH4"	19.041099
"402795"	1083.129818	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+Na"	22.989218
"760511"	1613.200118	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+Na"	22.989218
"1611888"	553.059518	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Na"	22.989218
"324109"	542.068547	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+H+Na"	23.996494
"720539"	807.103697	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+H+Na"	23.996494
"1473628"	277.033397	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H+Na"	23.996494
"1060319"	185.02469	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2H+Na"	25.00377
"1267463"	563.103786	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+CH3OH+H"	33.033486
"388230"	1099.103758	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+K"	38.963158
"747038"	1629.174058	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+K"	38.963158
"1554558"	569.033458	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+K"	38.963158
"310640"	550.055517	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+H+K"	39.970434
"706465"	815.090667	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+H+K"	39.970434
"1460770"	285.020367	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H+K"	39.970434
"246574"	1102.174426	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+H"	42.033826
"1222199"	572.104126	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+H"	42.033826
"1209002"	286.555701	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+2H"	43.041102
"202603"	1105.11176	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na-H"	44.97116
"642891"	1635.18206	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na-H"	44.97116
"1145303"	575.04146	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2Na-H"	44.97116
"186405"	553.059518	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na"	45.978436
"627425"	818.094668	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na"	45.978436
"1128373"	288.024368	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2Na"	45.978436
"1406796"	192.352004	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H+2Na"	46.985712
"1436725"	577.083046	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H+HCOOH"	47.012746
"229706"	558.09254	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+3H2O+2H"	56.04448
"1513394"	591.13509	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+H"	61.06479
"413078"	561.046488	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+Na+K"	61.952376
"776263"	826.081638	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+Na+K"	61.952376
"1669311"	296.011338	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Na+K"	61.952376
"254738"	1124.156368	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+Na"	64.015768
"1230729"	594.086068	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+Na"	64.015768
"1725460"	594.109593	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+HCOOH"	64.039293
"1191908"	199.679318	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+3Na"	68.967654
"1662532"	599.064988	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Na+HCOOH"	68.994688
"170124"	1137.05964	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+2K-H"	76.91904
"608590"	1667.12994	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+2K-H"	76.91904
"1099309"	606.98934	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2K-H"	76.91904
"155755"	569.033458	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"2M+2K"	77.926316
"595929"	834.068608	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"3M+2K"	77.926316
"1075456"	303.998308	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2K"	77.926316
"1109759"	609.003892	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2K+H"	78.933592
"1341769"	609.091507	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+DMSO+H"	79.021207
"1012486"	613.130676	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+H"	83.060376
"1528425"	614.124308	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+Na+H"	84.054008
"994870"	307.068976	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+2H"	84.067652
"1591561"	615.038928	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+K+HCOOH"	84.968628
"1424875"	645.070438	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+H+CF3COOH"	115.000138
"1157351"	327.582251	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+3ACN+2H"	125.094202
"1709087"	662.096985	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+CF3COOH"	132.026685
"1643643"	667.05238	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+Na+CF3COOH"	136.98208
"1579294"	683.02632	"C11927"	"dTDP-4-oxo-26-dideoxy-L-mannose"	"C16H24N2O14P2"	"530.0703"	"M+K+CF3COOH"	152.95602
"801654"	530.0703	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M"	0
"974926"	511.05191	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-H2O-H"	-19.01839
"65966"	352.372924	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M-3H"	-3.021828
"503378"	529.063024	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M-3H"	-3.021828
"887709"	175.682824	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-3H"	-3.021828
"8472"	529.063024	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H"	-2.014552
"454230"	794.098174	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H"	-2.014552
"831672"	264.027874	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H"	-2.014552
"93609"	1059.133324	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M-H"	-1.007276
"534217"	1589.203624	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M-H"	-1.007276
"910728"	529.063024	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-H"	-1.007276
"61455"	1076.159871	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+NH4"	16.019271
"502476"	1606.230171	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+NH4"	16.019271
"878822"	546.089571	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H+NH4"	16.019271
"46929"	1081.115266	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+Na"	20.974666
"485433"	1611.185566	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+Na"	20.974666
"861289"	551.044966	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H+Na"	20.974666
"1631551"	551.044966	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na-2H"	20.974666
"96425"	547.051363	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M-H+Cl"	33.962126
"542546"	812.086513	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M-H+Cl"	33.962126
"929500"	282.016213	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+Cl"	33.962126
"270242"	1095.110002	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Cl"	34.969402
"667040"	1625.180302	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+Cl"	34.969402
"1286002"	565.039702	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl"	34.969402
"24185"	1097.089206	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+K"	36.948606
"463745"	1627.159506	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+K"	36.948606
"840451"	567.018906	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-2H+K"	36.948606
"1569055"	567.018906	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+K-2H"	36.948606
"955843"	575.068494	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+HCOOH"	44.998194
"373328"	1105.138801	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+HCOOH-H"	44.998201
"355024"	1119.154451	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Hac-H"	59.013851
"1503857"	589.084151	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Hac-H"	59.013851
"970305"	597.050451	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+NaCOOH"	66.980151
"124676"	565.039702	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2Cl"	69.938804
"562050"	830.074852	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2Cl"	69.938804
"1028664"	300.004552	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2Cl"	69.938804
"1248243"	608.989185	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Br"	78.918885
"1311784"	611.045172	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+HCOOH"	80.974872
"1329280"	633.027129	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+NaCOOH"	102.956829
"921431"	643.055886	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M-H+CF3COOH"	112.985586
"1294860"	679.032564	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+CF3COOH"	148.962264
"1370833"	495.057624	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H-2H2O"	-35.012676
"1389422"	513.0676	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H-H2O"	-17.0027
"295314"	1061.147876	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H"	1.007276
"683725"	1591.218176	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H"	1.007276
"1361167"	531.077576	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H"	1.007276
"132962"	531.077576	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2H"	2.014552
"573613"	796.112726	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2H"	2.014552
"1046787"	266.042426	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2H"	2.014552
"212502"	354.387476	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+3H"	3.021828
"655345"	531.077576	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+3H"	3.021828
"1174564"	177.697376	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+3H"	3.021828
"431638"	1078.174423	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+NH4"	18.033823
"792269"	1608.244723	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+NH4"	18.033823
"1689694"	548.104123	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+NH4"	18.033823
"339065"	539.5908495	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H+NH4"	19.041099
"734039"	804.6259995	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H+NH4"	19.041099
"1487493"	274.5556995	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+NH4"	19.041099
"401812"	1083.129818	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Na"	22.989218
"760620"	1613.200118	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+Na"	22.989218
"1611999"	553.059518	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na"	22.989218
"324219"	542.068547	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H+Na"	23.996494
"717733"	807.103697	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H+Na"	23.996494
"1470458"	277.033397	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+Na"	23.996494
"1059336"	185.02469	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2H+Na"	25.00377
"1266480"	563.103786	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+CH3OH+H"	33.033486
"388340"	1099.103758	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+K"	38.963158
"743868"	1629.174058	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+K"	38.963158
"1554668"	569.033458	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+K"	38.963158
"310750"	550.055517	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+H+K"	39.970434
"706449"	815.090667	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+H+K"	39.970434
"1456989"	285.020367	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+K"	39.970434
"244496"	1102.174426	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+H"	42.033826
"1222673"	572.104126	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+H"	42.033826
"1209480"	286.555701	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+2H"	43.041102
"203319"	1105.11176	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na-H"	44.97116
"643490"	1635.18206	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na-H"	44.97116
"1143953"	575.04146	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2Na-H"	44.97116
"186151"	553.059518	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na"	45.978436
"626076"	818.094668	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na"	45.978436
"1126660"	288.024368	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2Na"	45.978436
"1404720"	192.352004	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+2Na"	46.985712
"1435013"	577.083046	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+HCOOH"	47.012746
"229816"	558.09254	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+3H2O+2H"	56.04448
"1515689"	591.13509	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+H"	61.06479
"412094"	561.046488	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+Na+K"	61.952376
"776372"	826.081638	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+Na+K"	61.952376
"1666262"	296.011338	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na+K"	61.952376
"254848"	1124.156368	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+Na"	64.015768
"1229746"	594.086068	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+Na"	64.015768
"1727149"	594.109593	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+HCOOH"	64.039293
"1192014"	199.679318	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+3Na"	68.967654
"1664092"	599.064988	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na+HCOOH"	68.994688
"170960"	1137.05964	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2K-H"	76.91904
"607970"	1667.12994	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2K-H"	76.91904
"1094302"	606.98934	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2K-H"	76.91904
"155748"	569.033458	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"2M+2K"	77.926316
"595428"	834.068608	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"3M+2K"	77.926316
"1075567"	303.998308	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2K"	77.926316
"1115218"	609.003892	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2K+H"	78.933592
"1340785"	609.091507	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+DMSO+H"	79.021207
"1013687"	613.130676	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+H"	83.060376
"1529628"	614.124308	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+Na+H"	84.054008
"993888"	307.068976	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+2H"	84.067652
"1589485"	615.038928	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+K+HCOOH"	84.968628
"1420612"	645.070438	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+H+CF3COOH"	115.000138
"1156368"	327.582251	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+3ACN+2H"	125.094202
"1708104"	662.096985	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+CF3COOH"	132.026685
"1644846"	667.05238	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+Na+CF3COOH"	136.98208
"1579404"	683.02632	"C11928"	"dTDP-4-oxo-26-dideoxy-D-allose"	"C16H24N2O14P2"	"530.0703"	"M+K+CF3COOH"	152.95602
"802113"	915.204	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M"	0
"976738"	896.18561	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-H2O-H"	-19.01839
"63279"	609.128724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M-3H"	-3.021828
"503690"	914.196724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M-3H"	-3.021828
"884539"	304.060724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-3H"	-3.021828
"8582"	914.196724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M-2H"	-2.014552
"453612"	1371.798724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M-2H"	-2.014552
"832026"	456.594724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-2H"	-2.014552
"94209"	1829.400724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M-H"	-1.007276
"533767"	2744.604724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M-H"	-1.007276
"911313"	914.196724	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-H"	-1.007276
"61688"	1846.427271	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M-2H+NH4"	16.019271
"500884"	2761.631271	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M-2H+NH4"	16.019271
"877838"	931.223271	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-2H+NH4"	16.019271
"46470"	1851.382666	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M-2H+Na"	20.974666
"485543"	2766.586666	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M-2H+Na"	20.974666
"861278"	936.178666	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-2H+Na"	20.974666
"1631419"	936.178666	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Na-2H"	20.974666
"98722"	932.185063	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M-H+Cl"	33.962126
"542657"	1389.787063	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M-H+Cl"	33.962126
"931797"	474.583063	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-H+Cl"	33.962126
"274726"	1865.377402	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+Cl"	34.969402
"668243"	2780.581402	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+Cl"	34.969402
"1286112"	950.173402	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Cl"	34.969402
"22108"	1867.356606	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M-2H+K"	36.948606
"464948"	2782.560606	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M-2H+K"	36.948606
"841655"	952.152606	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-2H+K"	36.948606
"1568436"	952.152606	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+K-2H"	36.948606
"953038"	960.202194	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-H+HCOOH"	44.998194
"371250"	1875.406201	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+HCOOH-H"	44.998201
"356226"	1889.421851	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+Hac-H"	59.013851
"1499591"	974.217851	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Hac-H"	59.013851
"966038"	982.184151	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-H+NaCOOH"	66.980151
"118226"	950.173402	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+2Cl"	69.938804
"562160"	1407.775402	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+2Cl"	69.938804
"1028773"	492.571402	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2Cl"	69.938804
"1247257"	994.122885	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Br"	78.918885
"1309707"	996.178872	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Cl+HCOOH"	80.974872
"1327203"	1018.160829	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Cl+NaCOOH"	102.956829
"919355"	1028.189586	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M-H+CF3COOH"	112.985586
"1297157"	1064.166264	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Cl+CF3COOH"	148.962264
"1368757"	880.191324	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H-2H2O"	-35.012676
"1387347"	898.2013	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H-H2O"	-17.0027
"295788"	1831.415276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+H"	1.007276
"683833"	2746.619276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+H"	1.007276
"1361277"	916.211276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H"	1.007276
"133069"	916.211276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+2H"	2.014552
"575910"	1373.813276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+2H"	2.014552
"1044708"	458.609276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2H"	2.014552
"212611"	611.143276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+3H"	3.021828
"656546"	916.211276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+3H"	3.021828
"1173580"	306.075276	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+3H"	3.021828
"434664"	1848.441823	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+NH4"	18.033823
"792743"	2763.645823	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+NH4"	18.033823
"1686157"	933.237823	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+NH4"	18.033823
"338081"	924.7245495	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+H+NH4"	19.041099
"728679"	1382.3265495	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+H+NH4"	19.041099
"1485780"	467.1225495	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H+NH4"	19.041099
"400829"	1853.397218	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+Na"	22.989218
"760730"	2768.601218	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+Na"	22.989218
"1612110"	938.193218	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Na"	22.989218
"323235"	927.202247	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+H+Na"	23.996494
"716750"	1384.804247	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+H+Na"	23.996494
"1470568"	469.600247	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H+Na"	23.996494
"1058353"	313.40259	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2H+Na"	25.00377
"1265497"	948.237486	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+CH3OH+H"	33.033486
"384077"	1869.371158	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+K"	38.963158
"742155"	2784.575158	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+K"	38.963158
"1552590"	954.167158	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+K"	38.963158
"308673"	935.189217	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+H+K"	39.970434
"705103"	1392.791217	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+H+K"	39.970434
"1457099"	477.587217	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H+K"	39.970434
"244606"	1872.441826	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+ACN+H"	42.033826
"1223515"	957.237826	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+ACN+H"	42.033826
"1208007"	479.122551	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+ACN+2H"	43.041102
"202458"	1875.37916	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+2Na-H"	44.97116
"642384"	2790.58316	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+2Na-H"	44.97116
"1143699"	960.17516	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2Na-H"	44.97116
"186628"	938.193218	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+2Na"	45.978436
"625459"	1395.795218	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+2Na"	45.978436
"1125679"	480.591218	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2Na"	45.978436
"1404831"	320.729904	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H+2Na"	46.985712
"1435122"	962.216746	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H+HCOOH"	47.012746
"226643"	943.22624	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+3H2O+2H"	56.04448
"1513976"	976.26879	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+IsoProp+H"	61.06479
"415483"	946.180188	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+Na+K"	61.952376
"775384"	1403.782188	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+Na+K"	61.952376
"1668436"	488.578188	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Na+K"	61.952376
"254958"	1894.423768	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+ACN+Na"	64.015768
"1230949"	979.219768	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+ACN+Na"	64.015768
"1727381"	979.243293	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+NH4+HCOOH"	64.039293
"1193220"	328.057218	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+3Na"	68.967654
"1663476"	984.198688	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Na+HCOOH"	68.994688
"169246"	1907.32704	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+2K-H"	76.91904
"606987"	2822.53104	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+2K-H"	76.91904
"1096233"	992.12304	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2K-H"	76.91904
"155856"	954.167158	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"2M+2K"	77.926316
"596634"	1411.769158	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"3M+2K"	77.926316
"1075677"	496.565158	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2K"	77.926316
"1115085"	994.137592	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2K+H"	78.933592
"1340895"	994.225207	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+DMSO+H"	79.021207
"1014890"	998.264376	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2ACN+H"	83.060376
"1529738"	999.258008	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+IsoProp+Na+H"	84.054008
"992905"	499.635826	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+2ACN+2H"	84.067652
"1589959"	1000.172628	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+K+HCOOH"	84.968628
"1417443"	1030.204138	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+H+CF3COOH"	115.000138
"1156478"	520.149101	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+3ACN+2H"	125.094202
"1710401"	1047.230685	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+NH4+CF3COOH"	132.026685
"1644956"	1052.18608	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+Na+CF3COOH"	136.98208
"1579514"	1068.16002	"C11929"	"Perillyl-CoA"	"C31H48N7O17P3S"	"915.204"	"M+K+CF3COOH"	152.95602
"801405"	528.0546	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M"	0
"977941"	509.03621	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H2O-H"	-19.01839
"66186"	351.029124	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-3H"	-3.021828
"504652"	527.047324	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-3H"	-3.021828
"884649"	175.010924	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-3H"	-3.021828
"8692"	527.047324	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H"	-2.014552
"454693"	791.074624	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H"	-2.014552
"831285"	263.020024	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H"	-2.014552
"93099"	1055.101924	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-H"	-1.007276
"533634"	1583.156524	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-H"	-1.007276
"909367"	527.047324	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H"	-1.007276
"59973"	1072.128471	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+NH4"	16.019271
"499533"	1600.183071	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+NH4"	16.019271
"878433"	544.073871	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H+NH4"	16.019271
"45489"	1077.083866	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+Na"	20.974666
"484803"	1605.138466	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+Na"	20.974666
"861509"	549.029266	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H+Na"	20.974666
"1633111"	549.029266	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na-2H"	20.974666
"95183"	545.035663	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-H+Cl"	33.962126
"537299"	809.062963	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-H+Cl"	33.962126
"927531"	281.008363	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+Cl"	33.962126
"270463"	1091.078602	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Cl"	34.969402
"663980"	1619.133202	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+Cl"	34.969402
"1282943"	563.024002	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl"	34.969402
"24405"	1093.057806	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+K"	36.948606
"465058"	1621.112406	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+K"	36.948606
"841765"	565.003206	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H+K"	36.948606
"1568545"	565.003206	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K-2H"	36.948606
"953148"	573.052794	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+HCOOH"	44.998194
"369174"	1101.107401	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+HCOOH-H"	44.998201
"353056"	1115.123051	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Hac-H"	59.013851
"1502981"	587.068451	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Hac-H"	59.013851
"966148"	595.034751	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+NaCOOH"	66.980151
"118336"	563.024002	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2Cl"	69.938804
"562270"	827.051302	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2Cl"	69.938804
"1025603"	298.996702	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2Cl"	69.938804
"1246275"	606.973485	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Br"	78.918885
"1309817"	609.029472	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+HCOOH"	80.974872
"1328407"	631.011429	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+NaCOOH"	102.956829
"919465"	641.040186	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+CF3COOH"	112.985586
"1293988"	677.016864	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+CF3COOH"	148.962264
"1369961"	493.041924	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H-2H2O"	-35.012676
"1386364"	511.0519	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H-H2O"	-17.0027
"296991"	1057.116476	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H"	1.007276
"685036"	1585.171076	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H"	1.007276
"1360294"	529.061876	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H"	1.007276
"133179"	529.061876	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2H"	2.014552
"574927"	793.089176	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2H"	2.014552
"1044817"	265.034576	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2H"	2.014552
"211992"	353.043676	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+3H"	3.021828
"656656"	529.061876	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+3H"	3.021828
"1170773"	177.025476	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+3H"	3.021828
"432951"	1074.143023	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+NH4"	18.033823
"793947"	1602.197623	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+NH4"	18.033823
"1685538"	546.088423	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+NH4"	18.033823
"338191"	537.5751495	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H+NH4"	19.041099
"728789"	801.6024495	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H+NH4"	19.041099
"1485526"	273.5478495	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+NH4"	19.041099
"403127"	1079.098418	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Na"	22.989218
"765214"	1607.153018	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+Na"	22.989218
"1613314"	551.043818	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na"	22.989218
"325532"	540.052847	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H+Na"	23.996494
"720139"	804.080147	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H+Na"	23.996494
"1471772"	276.025547	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+Na"	23.996494
"1059557"	184.35279	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2H+Na"	25.00377
"1267794"	561.088086	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+CH3OH+H"	33.033486
"383093"	1095.072358	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+K"	38.963158
"740079"	1623.126958	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+K"	38.963158
"1551244"	567.017758	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K"	38.963158
"304410"	548.039817	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H+K"	39.970434
"703389"	812.067117	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H+K"	39.970434
"1457209"	284.012517	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+K"	39.970434
"246903"	1098.143026	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+H"	42.033826
"1222530"	570.088426	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+H"	42.033826
"1207146"	285.547851	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+2H"	43.041102
"202325"	1101.08036	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na-H"	44.97116
"641399"	1629.13496	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na-H"	44.97116
"1144419"	573.02576	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2Na-H"	44.97116
"186252"	551.043818	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na"	45.978436
"626419"	815.071118	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na"	45.978436
"1125790"	287.016518	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2Na"	45.978436
"1406033"	191.680104	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+2Na"	46.985712
"1433775"	575.067346	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+HCOOH"	47.012746
"226754"	556.07684	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+3H2O+2H"	56.04448
"1515910"	589.11939	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+H"	61.06479
"413408"	559.030788	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Na+K"	61.952376
"773310"	823.058088	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+Na+K"	61.952376
"1666602"	295.003488	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na+K"	61.952376
"255064"	1120.124968	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+Na"	64.015768
"1233246"	592.070368	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+Na"	64.015768
"1727247"	592.093893	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+HCOOH"	64.039293
"1193087"	199.007418	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+3Na"	68.967654
"1664313"	597.049288	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na+HCOOH"	68.994688
"171782"	1133.02824	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2K-H"	76.91904
"607097"	1661.08284	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2K-H"	76.91904
"1096707"	604.97364	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2K-H"	76.91904
"154260"	567.017758	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2K"	77.926316
"594188"	831.045058	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2K"	77.926316
"1074693"	302.990458	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2K"	77.926316
"1113371"	606.988192	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2K+H"	78.933592
"1339912"	607.075807	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+DMSO+H"	79.021207
"1012817"	611.114976	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+H"	83.060376
"1527661"	612.108608	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+Na+H"	84.054008
"994108"	306.061126	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+2H"	84.067652
"1590799"	613.023228	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K+HCOOH"	84.968628
"1417553"	643.054738	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+CF3COOH"	115.000138
"1155495"	326.574401	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+3ACN+2H"	125.094202
"1709417"	660.081285	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+CF3COOH"	132.026685
"1646159"	665.03668	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na+CF3COOH"	136.98208
"1579624"	681.01062	"C11930"	"dTDP-26-dideoxy-D-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K+CF3COOH"	152.95602
"801628"	528.0546	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M"	0
"976958"	509.03621	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H2O-H"	-19.01839
"63743"	351.029124	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-3H"	-3.021828
"504032"	527.047324	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-3H"	-3.021828
"888040"	175.010924	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-3H"	-3.021828
"15367"	527.047324	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H"	-2.014552
"455173"	791.074624	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H"	-2.014552
"829453"	263.020024	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H"	-2.014552
"93573"	1055.101924	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-H"	-1.007276
"532891"	1583.156524	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-H"	-1.007276
"911017"	527.047324	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H"	-1.007276
"60083"	1072.128471	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+NH4"	16.019271
"500616"	1600.183071	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+NH4"	16.019271
"875262"	544.073871	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H+NH4"	16.019271
"45958"	1077.083866	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+Na"	20.974666
"486371"	1605.138466	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+Na"	20.974666
"861620"	549.029266	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H+Na"	20.974666
"1632977"	549.029266	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na-2H"	20.974666
"101129"	545.035663	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-H+Cl"	33.962126
"539596"	809.062963	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-H+Cl"	33.962126
"933111"	281.008363	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+Cl"	33.962126
"272759"	1091.078602	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Cl"	34.969402
"667370"	1619.133202	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+Cl"	34.969402
"1284146"	563.024002	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl"	34.969402
"24515"	1093.057806	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+K"	36.948606
"466261"	1621.112406	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+K"	36.948606
"842969"	565.003206	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-2H+K"	36.948606
"1566470"	565.003206	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K-2H"	36.948606
"954352"	573.052794	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+HCOOH"	44.998194
"371471"	1101.107401	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+HCOOH-H"	44.998201
"353167"	1115.123051	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Hac-H"	59.013851
"1501998"	587.068451	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Hac-H"	59.013851
"970632"	595.034751	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+NaCOOH"	66.980151
"121727"	563.024002	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2Cl"	69.938804
"559101"	827.051302	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2Cl"	69.938804
"1028993"	298.996702	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2Cl"	69.938804
"1248572"	606.973485	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Br"	78.918885
"1308834"	609.029472	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+HCOOH"	80.974872
"1325238"	631.011429	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+NaCOOH"	102.956829
"918482"	641.040186	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M-H+CF3COOH"	112.985586
"1291911"	677.016864	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+CF3COOH"	148.962264
"1371164"	493.041924	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H-2H2O"	-35.012676
"1386474"	511.0519	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H-H2O"	-17.0027
"293821"	1057.116476	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H"	1.007276
"682960"	1585.171076	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H"	1.007276
"1361498"	529.061876	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H"	1.007276
"133290"	529.061876	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2H"	2.014552
"572850"	793.089176	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2H"	2.014552
"1041647"	265.034576	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2H"	2.014552
"207728"	353.043676	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+3H"	3.021828
"650204"	529.061876	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+3H"	3.021828
"1168694"	177.025476	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+3H"	3.021828
"429780"	1074.143023	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+NH4"	18.033823
"790412"	1602.197623	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+NH4"	18.033823
"1687836"	546.088423	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+NH4"	18.033823
"337208"	537.5751495	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H+NH4"	19.041099
"725255"	801.6024495	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H+NH4"	19.041099
"1484543"	273.5478495	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+NH4"	19.041099
"404698"	1079.098418	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Na"	22.989218
"765329"	1607.153018	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+Na"	22.989218
"1614518"	551.043818	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na"	22.989218
"326736"	540.052847	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H+Na"	23.996494
"719159"	804.080147	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H+Na"	23.996494
"1474069"	276.025547	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+Na"	23.996494
"1062947"	184.35279	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2H+Na"	25.00377
"1269363"	561.088086	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+CH3OH+H"	33.033486
"383203"	1095.072358	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+K"	38.963158
"743105"	1623.126958	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+K"	38.963158
"1550626"	567.017758	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K"	38.963158
"308894"	548.039817	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+H+K"	39.970434
"700219"	812.067117	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+H+K"	39.970434
"1458413"	284.012517	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+K"	39.970434
"248106"	1098.143026	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+H"	42.033826
"1222641"	570.088426	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+H"	42.033826
"1207864"	285.547851	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+2H"	43.041102
"201948"	1101.08036	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na-H"	44.97116
"642846"	1629.13496	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na-H"	44.97116
"1144649"	573.02576	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2Na-H"	44.97116
"187090"	551.043818	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na"	45.978436
"627380"	815.071118	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na"	45.978436
"1122620"	287.016518	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2Na"	45.978436
"1403228"	191.680104	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+2Na"	46.985712
"1433156"	575.067346	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+HCOOH"	47.012746
"229051"	556.07684	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+3H2O+2H"	56.04448
"1516020"	589.11939	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+H"	61.06479
"413518"	559.030788	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+Na+K"	61.952376
"772326"	823.058088	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+Na+K"	61.952376
"1666833"	295.003488	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na+K"	61.952376
"252380"	1120.124968	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+Na"	64.015768
"1232263"	592.070368	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+Na"	64.015768
"1727846"	592.093893	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+HCOOH"	64.039293
"1193075"	199.007418	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+3Na"	68.967654
"1663695"	597.049288	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na+HCOOH"	68.994688
"170921"	1133.02824	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2K-H"	76.91904
"606843"	1661.08284	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2K-H"	76.91904
"1094631"	604.97364	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2K-H"	76.91904
"155099"	567.017758	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"2M+2K"	77.926316
"593562"	831.045058	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"3M+2K"	77.926316
"1081719"	302.990458	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2K"	77.926316
"1112387"	606.988192	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2K+H"	78.933592
"1343303"	607.075807	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+DMSO+H"	79.021207
"1012928"	611.114976	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+H"	83.060376
"1527770"	612.108608	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+Na+H"	84.054008
"998593"	306.061126	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+2H"	84.067652
"1592001"	613.023228	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K+HCOOH"	84.968628
"1417662"	643.054738	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+H+CF3COOH"	115.000138
"1156698"	326.574401	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+3ACN+2H"	125.094202
"1710621"	660.081285	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+CF3COOH"	132.026685
"1646269"	665.03668	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+Na+CF3COOH"	136.98208
"1579734"	681.01062	"C11931"	"dTDP-26-dideoxy-L-glycero-hex-2-enos-4-ulose"	"C16H22N2O14P2"	"528.0546"	"M+K+CF3COOH"	152.95602
"801788"	530.0703	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M"	0
"975244"	511.05191	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-H2O-H"	-19.01839
"64217"	352.372924	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M-3H"	-3.021828
"503776"	529.063024	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M-3H"	-3.021828
"891429"	175.682824	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-3H"	-3.021828
"14745"	529.063024	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M-2H"	-2.014552
"454552"	794.098174	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M-2H"	-2.014552
"830291"	264.027874	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-2H"	-2.014552
"92104"	1059.133324	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M-H"	-1.007276
"533246"	1589.203624	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M-H"	-1.007276
"911048"	529.063024	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-H"	-1.007276
"61046"	1076.159871	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+NH4"	16.019271
"499755"	1606.230171	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+NH4"	16.019271
"868811"	546.089571	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-2H+NH4"	16.019271
"46922"	1081.115266	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+Na"	20.974666
"485755"	1611.185566	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+Na"	20.974666
"862824"	551.044966	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-2H+Na"	20.974666
"1634020"	551.044966	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Na-2H"	20.974666
"108645"	547.051363	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M-H+Cl"	33.962126
"538612"	812.086513	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M-H+Cl"	33.962126
"933221"	282.016213	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-H+Cl"	33.962126
"273963"	1095.110002	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+Cl"	34.969402
"669667"	1625.180302	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+Cl"	34.969402
"1284256"	565.039702	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Cl"	34.969402
"28999"	1097.089206	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M-2H+K"	36.948606
"466371"	1627.159506	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M-2H+K"	36.948606
"841986"	567.018906	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-2H+K"	36.948606
"1567309"	567.018906	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+K-2H"	36.948606
"954461"	575.068494	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-H+HCOOH"	44.998194
"371581"	1105.138801	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+HCOOH-H"	44.998201
"352183"	1119.154451	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+Hac-H"	59.013851
"1504295"	589.084151	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Hac-H"	59.013851
"972931"	597.050451	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-H+NaCOOH"	66.980151
"120744"	565.039702	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+2Cl"	69.938804
"562491"	830.074852	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+2Cl"	69.938804
"1036152"	300.004552	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2Cl"	69.938804
"1251962"	608.989185	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Br"	78.918885
"1313318"	611.045172	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+HCOOH"	80.974872
"1326441"	633.027129	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+NaCOOH"	102.956829
"914219"	643.055886	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M-H+CF3COOH"	112.985586
"1293115"	679.032564	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Cl+CF3COOH"	148.962264
"1371274"	495.057624	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H-2H2O"	-35.012676
"1387677"	513.0676	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H-H2O"	-17.0027
"293931"	1061.147876	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+H"	1.007276
"681977"	1591.218176	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+H"	1.007276
"1360515"	531.077576	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H"	1.007276
"133400"	531.077576	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+2H"	2.014552
"571867"	796.112726	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+2H"	2.014552
"1040300"	266.042426	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2H"	2.014552
"210754"	354.387476	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+3H"	3.021828
"650314"	531.077576	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+3H"	3.021828
"1168440"	177.697376	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+3H"	3.021828
"430983"	1078.174423	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+NH4"	18.033823
"791980"	1608.244723	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+NH4"	18.033823
"1687217"	548.104123	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+NH4"	18.033823
"336225"	539.5908495	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+H+NH4"	19.041099
"727552"	804.6259995	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+H+NH4"	19.041099
"1484653"	274.5556995	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H+NH4"	19.041099
"405536"	1083.129818	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+Na"	22.989218
"766531"	1613.200118	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+Na"	22.989218
"1612442"	553.059518	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Na"	22.989218
"326483"	542.068547	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+H+Na"	23.996494
"719269"	807.103697	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+H+Na"	23.996494
"1469807"	277.033397	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H+Na"	23.996494
"1060870"	185.02469	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2H+Na"	25.00377
"1262546"	563.103786	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+CH3OH+H"	33.033486
"386229"	1099.103758	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+K"	38.963158
"747589"	1629.174058	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+K"	38.963158
"1552922"	569.033458	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+K"	38.963158
"309004"	550.055517	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+H+K"	39.970434
"701423"	815.090667	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+H+K"	39.970434
"1457431"	285.020367	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H+K"	39.970434
"244937"	1102.174426	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+H"	42.033826
"1219834"	572.104126	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+H"	42.033826
"1207365"	286.555701	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+2H"	43.041102
"198413"	1105.11176	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na-H"	44.97116
"637242"	1635.18206	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na-H"	44.97116
"1140748"	575.04146	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2Na-H"	44.97116
"182945"	553.059518	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+2Na"	45.978436
"623598"	818.094668	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+2Na"	45.978436
"1119449"	288.024368	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2Na"	45.978436
"1400787"	192.352004	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H+2Na"	46.985712
"1431807"	577.083046	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H+HCOOH"	47.012746
"228068"	558.09254	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+3H2O+2H"	56.04448
"1516860"	591.13509	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+H"	61.06479
"413628"	561.046488	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+Na+K"	61.952376
"777905"	826.081638	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+Na+K"	61.952376
"1669861"	296.011338	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Na+K"	61.952376
"252125"	1124.156368	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+Na"	64.015768
"1232373"	594.086068	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+ACN+Na"	64.015768
"1727995"	594.109593	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+HCOOH"	64.039293
"1193185"	199.679318	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+3Na"	68.967654
"1663440"	599.064988	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Na+HCOOH"	68.994688
"171395"	1137.05964	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+2K-H"	76.91904
"607317"	1667.12994	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+2K-H"	76.91904
"1095834"	606.98934	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2K-H"	76.91904
"155332"	569.033458	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"2M+2K"	77.926316
"592579"	834.068608	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"3M+2K"	77.926316
"1078184"	303.998308	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2K"	77.926316
"1115054"	609.003892	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2K+H"	78.933592
"1343414"	609.091507	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+DMSO+H"	79.021207
"1017412"	613.130676	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+H"	83.060376
"1528975"	614.124308	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+Na+H"	84.054008
"999797"	307.068976	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+2H"	84.067652
"1592111"	615.038928	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+K+HCOOH"	84.968628
"1417773"	645.070438	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+H+CF3COOH"	115.000138
"1152435"	327.582251	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+3ACN+2H"	125.094202
"1706358"	662.096985	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+NH4+CF3COOH"	132.026685
"1647474"	667.05238	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+Na+CF3COOH"	136.98208
"1579844"	683.02632	"C11932"	"dTDP-26-dideoxy-L-erythro-hexos-3-ulose;dTDP 1-ester with 26-dideoxy-L-erythro-hexopyranos-3-ulose"	"C16H24N2O14P2"	"530.0703"	"M+K+CF3COOH"	152.95602
"805833"	575.1281	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M"	0
"975354"	556.10971	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-H2O-H"	-19.01839
"66514"	382.411457333333	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M-3H"	-3.021828
"506074"	574.120824	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M-3H"	-3.021828
"894457"	190.702090666667	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-3H"	-3.021828
"15517"	574.120824	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M-2H"	-2.014552
"455273"	861.684874	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M-2H"	-2.014552
"831373"	286.556774	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-2H"	-2.014552
"93675"	1149.248924	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M-H"	-1.007276
"533843"	1724.377024	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M-H"	-1.007276
"911334"	574.120824	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-H"	-1.007276
"61763"	1166.275471	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M-2H+NH4"	16.019271
"501445"	1741.403571	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M-2H+NH4"	16.019271
"872202"	591.147371	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-2H+NH4"	16.019271
"45814"	1171.230866	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M-2H+Na"	20.974666
"486712"	1746.358966	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M-2H+Na"	20.974666
"863703"	596.102766	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-2H+Na"	20.974666
"1629184"	596.102766	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Na-2H"	20.974666
"102434"	592.109163	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M-H+Cl"	33.962126
"549713"	879.673213	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M-H+Cl"	33.962126
"935520"	304.545113	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-H+Cl"	33.962126
"279544"	1185.225602	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+Cl"	34.969402
"668684"	1760.353702	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+Cl"	34.969402
"1286554"	610.097502	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Cl"	34.969402
"30653"	1187.204806	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M-2H+K"	36.948606
"469765"	1762.332906	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M-2H+K"	36.948606
"846472"	612.076706	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-2H+K"	36.948606
"1567787"	612.076706	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+K-2H"	36.948606
"955665"	620.126294	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-H+HCOOH"	44.998194
"373880"	1195.254401	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+HCOOH-H"	44.998201
"356670"	1209.270051	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+Hac-H"	59.013851
"1502220"	634.141951	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Hac-H"	59.013851
"969762"	642.108251	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-H+NaCOOH"	66.980151
"123041"	610.097502	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+2Cl"	69.938804
"563696"	897.661552	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+2Cl"	69.938804
"1033589"	322.533452	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2Cl"	69.938804
"1253167"	654.046985	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Br"	78.918885
"1313428"	656.102972	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Cl+HCOOH"	80.974872
"1329832"	678.084929	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Cl+NaCOOH"	102.956829
"918703"	688.113686	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M-H+CF3COOH"	112.985586
"1294318"	724.090364	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Cl+CF3COOH"	148.962264
"1373571"	540.115424	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H-2H2O"	-35.012676
"1389973"	558.1254	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H-H2O"	-17.0027
"295135"	1151.263476	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+H"	1.007276
"688648"	1726.391576	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+H"	1.007276
"1361717"	576.135376	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H"	1.007276
"133512"	576.135376	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+2H"	2.014552
"574166"	863.699426	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+2H"	2.014552
"1045150"	288.571326	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2H"	2.014552
"216334"	384.426009333333	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+3H"	3.021828
"654802"	576.135376	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+3H"	3.021828
"1175115"	192.716642666667	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+3H"	3.021828
"436199"	1168.290023	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+NH4"	18.033823
"797194"	1743.418123	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+NH4"	18.033823
"1691337"	593.161923	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+NH4"	18.033823
"340710"	584.6486495	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+H+NH4"	19.041099
"733131"	872.2126995	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+H+NH4"	19.041099
"1488043"	297.0845995	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H+NH4"	19.041099
"401253"	1173.245418	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+Na"	22.989218
"763349"	1748.373518	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+Na"	22.989218
"1614729"	598.117318	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Na"	22.989218
"327688"	587.126347	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+H+Na"	23.996494
"719383"	874.690397	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+H+Na"	23.996494
"1474660"	299.562297	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H+Na"	23.996494
"1064990"	200.043956666667	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2H+Na"	25.00377
"1267028"	608.161586	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+CH3OH+H"	33.033486
"388891"	1189.219358	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+K"	38.963158
"745513"	1764.347458	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+K"	38.963158
"1554126"	614.091258	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+K"	38.963158
"313978"	595.113317	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+H+K"	39.970434
"706438"	882.677367	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+H+K"	39.970434
"1460909"	307.549267	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H+K"	39.970434
"249061"	1192.290026	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+ACN+H"	42.033826
"1222498"	617.161926	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+ACN+H"	42.033826
"1209891"	309.084601	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+ACN+2H"	43.041102
"198888"	1195.22736	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+2Na-H"	44.97116
"641730"	1770.35546	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+2Na-H"	44.97116
"1142683"	620.09926	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2Na-H"	44.97116
"184880"	598.117318	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+2Na"	45.978436
"623708"	885.681368	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+2Na"	45.978436
"1120653"	310.553268	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2Na"	45.978436
"1403086"	207.371270666667	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H+2Na"	46.985712
"1436295"	622.140846	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H+HCOOH"	47.012746
"227085"	603.15034	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+3H2O+2H"	56.04448
"1517334"	636.19289	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+IsoProp+H"	61.06479
"413738"	606.104288	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+Na+K"	61.952376
"776922"	893.668338	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+Na+K"	61.952376
"1669971"	318.540238	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Na+K"	61.952376
"253939"	1214.271968	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+ACN+Na"	64.015768
"1228102"	639.143868	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+ACN+Na"	64.015768
"1728063"	639.167393	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+NH4+HCOOH"	64.039293
"1193663"	214.698584666667	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+3Na"	68.967654
"1663550"	644.122788	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Na+HCOOH"	68.994688
"171506"	1227.17524	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+2K-H"	76.91904
"612411"	1802.30334	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+2K-H"	76.91904
"1097404"	652.04714	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2K-H"	76.91904
"155683"	614.091258	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"2M+2K"	77.926316
"592689"	901.655308	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"3M+2K"	77.926316
"1077930"	326.527208	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2K"	77.926316
"1113584"	654.061692	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2K+H"	78.933592
"1346804"	654.149307	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+DMSO+H"	79.021207
"1020078"	658.188476	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2ACN+H"	83.060376
"1532365"	659.182108	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+IsoProp+Na+H"	84.054008
"1002094"	329.597876	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+2ACN+2H"	84.067652
"1593315"	660.096728	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+K+HCOOH"	84.968628
"1420069"	690.128238	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+H+CF3COOH"	115.000138
"1155825"	350.111151	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+3ACN+2H"	125.094202
"1708655"	707.154785	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+NH4+CF3COOH"	132.026685
"1647584"	712.11018	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+Na+CF3COOH"	136.98208
"1579954"	728.08412	"C11933"	"dTDP-D-mycaminose;dTDP-alpha-D-mycaminose"	"C18H31N3O14P2"	"575.1281"	"M+K+CF3COOH"	152.95602
"802663"	933.2146	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M"	0
"974423"	914.19621	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H2O-H"	-19.01839
"63343"	621.135790666667	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-3H"	-3.021828
"505091"	932.207324	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-3H"	-3.021828
"894813"	310.064257333333	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-3H"	-3.021828
"14118"	932.207324	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H"	-2.014552
"454893"	1398.814624	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H"	-2.014552
"831848"	465.600024	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H"	-2.014552
"91961"	1865.421924	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H"	-1.007276
"530429"	2798.636524	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H"	-1.007276
"910902"	932.207324	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H"	-1.007276
"61146"	1882.448471	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+NH4"	16.019271
"501313"	2815.663071	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+NH4"	16.019271
"872311"	949.233871	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+NH4"	16.019271
"44952"	1887.403866	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+Na"	20.974666
"485243"	2820.618466	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+Na"	20.974666
"862314"	954.189266	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+Na"	20.974666
"1629294"	954.189266	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na-2H"	20.974666
"102544"	950.195663	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H+Cl"	33.962126
"536635"	1416.802963	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H+Cl"	33.962126
"937817"	483.588363	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+Cl"	33.962126
"277467"	1901.398602	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Cl"	34.969402
"667702"	2834.613202	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Cl"	34.969402
"1283383"	968.184002	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl"	34.969402
"27033"	1903.377806	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+K"	36.948606
"465500"	2836.592406	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+K"	36.948606
"845488"	970.163206	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+K"	36.948606
"1563521"	970.163206	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K-2H"	36.948606
"953222"	978.212794	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+HCOOH"	44.998194
"367430"	1911.427401	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+HCOOH-H"	44.998201
"352404"	1925.443051	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Hac-H"	59.013851
"1499050"	992.228451	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Hac-H"	59.013851
"969505"	1000.194751	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+NaCOOH"	66.980151
"115860"	968.184002	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Cl"	69.938804
"557244"	1434.791302	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Cl"	69.938804
"1032604"	501.576702	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Cl"	69.938804
"1246716"	1012.133485	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Br"	78.918885
"1315724"	1014.189472	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+HCOOH"	80.974872
"1326661"	1036.171429	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+NaCOOH"	102.956829
"917719"	1046.200186	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+CF3COOH"	112.985586
"1296614"	1082.176864	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+CF3COOH"	148.962264
"1367604"	898.201924	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-2H2O"	-35.012676
"1385711"	916.2119	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-H2O"	-17.0027
"291965"	1867.436476	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H"	1.007276
"687665"	2800.651076	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H"	1.007276
"1364013"	934.221876	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H"	1.007276
"133622"	934.221876	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2H"	2.014552
"574276"	1400.829176	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2H"	2.014552
"1045260"	467.614576	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H"	2.014552
"212068"	623.150342666667	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H"	3.021828
"651632"	934.221876	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+3H"	3.021828
"1171945"	312.078809333333	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3H"	3.021828
"436309"	1884.463023	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+NH4"	18.033823
"796210"	2817.677623	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+NH4"	18.033823
"1690354"	951.248423	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4"	18.033823
"339726"	942.7351495	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+NH4"	19.041099
"733241"	1409.3424495	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+NH4"	19.041099
"1484873"	476.1278495	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+NH4"	19.041099
"398083"	1889.418418	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na"	22.989218
"761272"	2822.633018	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na"	22.989218
"1614475"	956.203818	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na"	22.989218
"323790"	945.212847	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+Na"	23.996494
"715119"	1411.820147	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+Na"	23.996494
"1470033"	478.605547	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+Na"	23.996494
"1065097"	319.406123333333	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H+Na"	25.00377
"1263859"	966.248086	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+CH3OH+H"	33.033486
"380253"	1905.392358	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+K"	38.963158
"742343"	2838.606958	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+K"	38.963158
"1549862"	972.177758	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K"	38.963158
"311412"	953.199817	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+K"	39.970434
"703466"	1419.807117	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+K"	39.970434
"1457287"	486.592517	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+K"	39.970434
"246254"	1908.463026	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+H"	42.033826
"1221149"	975.248426	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+H"	42.033826
"1206493"	488.127851	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+2H"	43.041102
"199363"	1911.40036	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na-H"	44.97116
"641475"	2844.61496	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na-H"	44.97116
"1137689"	978.18576	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na-H"	44.97116
"183164"	956.203818	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na"	45.978436
"617257"	1422.811118	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na"	45.978436
"1118576"	489.596518	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na"	45.978436
"1402103"	326.733437333333	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+2Na"	46.985712
"1436405"	980.227346	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+HCOOH"	47.012746
"227195"	961.23684	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H2O+2H"	56.04448
"1513069"	994.27939	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+H"	61.06479
"412754"	964.190788	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na+K"	61.952376
"772657"	1430.798088	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na+K"	61.952376
"1667166"	497.583488	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+K"	61.952376
"253321"	1930.444968	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+Na"	64.015768
"1226026"	997.230368	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+Na"	64.015768
"1725860"	997.253893	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+HCOOH"	64.039293
"1191215"	334.060751333333	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3Na"	68.967654
"1662930"	1002.209288	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+HCOOH"	68.994688
"169793"	1943.34824	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K-H"	76.91904
"607895"	2876.56284	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K-H"	76.91904
"1096421"	1010.13364	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K-H"	76.91904
"152875"	972.177758	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K"	77.926316
"593528"	1438.785058	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K"	77.926316
"1078405"	505.570458	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K"	77.926316
"1115269"	1012.148192	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K+H"	78.933592
"1350074"	1012.235807	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+DMSO+H"	79.021207
"1020431"	1016.274976	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+H"	83.060376
"1539285"	1017.268608	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+Na+H"	84.054008
"1000018"	508.641126	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+2H"	84.067652
"1593427"	1018.183228	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+HCOOH"	84.968628
"1422366"	1048.214738	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+CF3COOH"	115.000138
"1157028"	529.154401	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3ACN+2H"	125.094202
"1708765"	1065.241285	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+CF3COOH"	132.026685
"1647694"	1070.19668	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+CF3COOH"	136.98208
"1580064"	1086.17062	"C11934"	"2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+CF3COOH"	152.95602
"804231"	931.1989	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M"	0
"974963"	912.18051	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-H2O-H"	-19.01839
"63696"	619.791990666667	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M-3H"	-3.021828
"504108"	930.191624	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M-3H"	-3.021828
"893952"	309.392357333333	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-3H"	-3.021828
"13988"	930.191624	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M-2H"	-2.014552
"455249"	1395.791074	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M-2H"	-2.014552
"830624"	464.592174	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-2H"	-2.014552
"92680"	1861.390524	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M-H"	-1.007276
"530539"	2792.589424	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M-H"	-1.007276
"910647"	930.191624	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-H"	-1.007276
"60892"	1878.417071	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M-2H+NH4"	16.019271
"501666"	2809.615971	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M-2H+NH4"	16.019271
"872421"	947.218171	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-2H+NH4"	16.019271
"44576"	1883.372466	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M-2H+Na"	20.974666
"483165"	2814.571366	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M-2H+Na"	20.974666
"860965"	952.173566	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-2H+Na"	20.974666
"1629404"	952.173566	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Na-2H"	20.974666
"105934"	948.179963	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M-H+Cl"	33.962126
"537472"	1413.779413	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M-H+Cl"	33.962126
"935740"	482.580513	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-H+Cl"	33.962126
"277578"	1897.367202	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+Cl"	34.969402
"669999"	2828.566102	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+Cl"	34.969402
"1283493"	966.168302	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Cl"	34.969402
"28237"	1899.346406	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M-2H+K"	36.948606
"464516"	2830.545306	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M-2H+K"	36.948606
"843411"	968.147506	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-2H+K"	36.948606
"1564722"	968.147506	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+K-2H"	36.948606
"954789"	976.197094	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-H+HCOOH"	44.998194
"370818"	1907.396001	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+HCOOH-H"	44.998201
"355794"	1921.411651	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+Hac-H"	59.013851
"1500253"	990.212751	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Hac-H"	59.013851
"968886"	998.179051	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-H+NaCOOH"	66.980151
"123259"	966.168302	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+2Cl"	69.938804
"560634"	1431.767752	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+2Cl"	69.938804
"1026153"	500.568852	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2Cl"	69.938804
"1249011"	1010.117785	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Br"	78.918885
"1312554"	1012.173772	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Cl+HCOOH"	80.974872
"1325678"	1034.155729	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Cl+NaCOOH"	102.956829
"921109"	1044.184486	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M-H+CF3COOH"	112.985586
"1295631"	1080.161164	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Cl+CF3COOH"	148.962264
"1367712"	896.186224	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H-2H2O"	-35.012676
"1382942"	914.1962	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H-H2O"	-17.0027
"293169"	1863.405076	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+H"	1.007276
"686682"	2794.603976	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+H"	1.007276
"1358656"	932.206176	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H"	1.007276
"127899"	932.206176	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+2H"	2.014552
"575479"	1397.805626	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+2H"	2.014552
"1046463"	466.606726	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2H"	2.014552
"212178"	621.806542666667	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+3H"	3.021828
"651741"	932.206176	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+3H"	3.021828
"1173148"	311.406909333333	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+3H"	3.021828
"434231"	1880.431623	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+NH4"	18.033823
"795225"	2811.630523	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+NH4"	18.033823
"1687182"	949.232723	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+NH4"	18.033823
"338741"	940.7194495	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+H+NH4"	19.041099
"734443"	1406.3188995	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+H+NH4"	19.041099
"1483888"	475.1199995	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H+NH4"	19.041099
"397100"	1885.387018	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+Na"	22.989218
"761376"	2816.585918	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+Na"	22.989218
"1610568"	954.188118	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Na"	22.989218
"321702"	943.197147	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+H+Na"	23.996494
"718144"	1408.796597	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+H+Na"	23.996494
"1473059"	477.597697	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H+Na"	23.996494
"1064114"	318.734223333333	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2H+Na"	25.00377
"1265062"	964.232386	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+CH3OH+H"	33.033486
"385830"	1901.360958	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+K"	38.963158
"745733"	2832.559858	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+K"	38.963158
"1550701"	970.162058	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+K"	38.963158
"311888"	951.184117	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+H+K"	39.970434
"704670"	1416.783567	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+H+K"	39.970434
"1458855"	485.584667	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H+K"	39.970434
"247457"	1904.431626	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+ACN+H"	42.033826
"1222352"	973.232726	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+ACN+H"	42.033826
"1207696"	487.120001	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+ACN+2H"	43.041102
"202388"	1907.36896	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+2Na-H"	44.97116
"643287"	2838.56786	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+2Na-H"	44.97116
"1138892"	976.17006	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2Na-H"	44.97116
"183274"	954.188118	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+2Na"	45.978436
"617367"	1419.787568	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+2Na"	45.978436
"1120874"	488.588668	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2Na"	45.978436
"1404399"	326.061537333333	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H+2Na"	46.985712
"1436515"	978.211646	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H+HCOOH"	47.012746
"227305"	959.22114	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+3H2O+2H"	56.04448
"1515365"	992.26369	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+IsoProp+H"	61.06479
"412864"	962.175088	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+Na+K"	61.952376
"777139"	1427.774538	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+Na+K"	61.952376
"1670191"	496.575638	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Na+K"	61.952376
"255617"	1926.413568	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+ACN+Na"	64.015768
"1227593"	995.214668	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+ACN+Na"	64.015768
"1724513"	995.238193	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+NH4+HCOOH"	64.039293
"1191324"	333.388851333333	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+3Na"	68.967654
"1662678"	1000.193588	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Na+HCOOH"	68.994688
"168081"	1939.31684	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+2K-H"	76.91904
"607277"	2870.51574	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+2K-H"	76.91904
"1096896"	1008.11794	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2K-H"	76.91904
"154078"	970.162058	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"2M+2K"	77.926316
"591451"	1435.761508	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"3M+2K"	77.926316
"1077418"	504.562608	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2K"	77.926316
"1115505"	1010.132492	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2K+H"	78.933592
"1350313"	1010.220107	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+DMSO+H"	79.021207
"1020989"	1014.259276	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2ACN+H"	83.060376
"1539479"	1015.252908	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+IsoProp+Na+H"	84.054008
"1002315"	507.633276	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+2ACN+2H"	84.067652
"1595723"	1016.167528	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+K+HCOOH"	84.968628
"1423569"	1046.199038	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+H+CF3COOH"	115.000138
"1157138"	528.146551	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+3ACN+2H"	125.094202
"1708875"	1063.225585	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+NH4+CF3COOH"	132.026685
"1647804"	1068.18098	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+Na+CF3COOH"	136.98208
"1580174"	1084.15492	"C11935"	"4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA;4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA"	"C31H48N7O18P3S"	"931.1989"	"M+K+CF3COOH"	152.95602
"803976"	949.2095	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M"	0
"975072"	930.19111	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-H2O-H"	-19.01839
"65385"	631.799057333333	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M-3H"	-3.021828
"505311"	948.202224	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M-3H"	-3.021828
"892966"	315.395890666667	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-3H"	-3.021828
"14706"	948.202224	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M-2H"	-2.014552
"455155"	1422.806974	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M-2H"	-2.014552
"830005"	473.597474	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-2H"	-2.014552
"92060"	1897.411724	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M-H"	-1.007276
"532349"	2846.621224	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M-H"	-1.007276
"909783"	948.202224	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-H"	-1.007276
"61728"	1914.438271	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M-2H+NH4"	16.019271
"499953"	2863.647771	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M-2H+NH4"	16.019271
"870344"	965.228771	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-2H+NH4"	16.019271
"37152"	1919.393666	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M-2H+Na"	20.974666
"479993"	2868.603166	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M-2H+Na"	20.974666
"858886"	970.184166	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-2H+Na"	20.974666
"1622952"	970.184166	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Na-2H"	20.974666
"102762"	966.190563	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M-H+Cl"	33.962126
"537219"	1440.795313	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M-H+Cl"	33.962126
"941073"	491.585813	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-H+Cl"	33.962126
"275502"	1933.388402	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+Cl"	34.969402
"670109"	2882.597902	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+Cl"	34.969402
"1282510"	984.178902	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Cl"	34.969402
"27254"	1935.367606	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M-2H+K"	36.948606
"465720"	2884.577106	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M-2H+K"	36.948606
"840241"	986.158106	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-2H+K"	36.948606
"1563738"	986.158106	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+K-2H"	36.948606
"947246"	994.207694	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-H+HCOOH"	44.998194
"367648"	1943.417201	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+HCOOH-H"	44.998201
"350438"	1957.432851	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+Hac-H"	59.013851
"1495990"	1008.223351	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Hac-H"	59.013851
"963529"	1016.189651	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-H+NaCOOH"	66.980151
"118996"	984.178902	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+2Cl"	69.938804
"554183"	1458.783652	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+2Cl"	69.938804
"1025169"	509.574152	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2Cl"	69.938804
"1251308"	1028.128385	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Br"	78.918885
"1310477"	1030.184372	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Cl+HCOOH"	80.974872
"1323601"	1052.166329	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Cl+NaCOOH"	102.956829
"917939"	1062.195086	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M-H+CF3COOH"	112.985586
"1293554"	1098.171764	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Cl+CF3COOH"	148.962264
"1367824"	914.196824	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H-2H2O"	-35.012676
"1383859"	932.2068	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H-H2O"	-17.0027
"294006"	1899.426276	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+H"	1.007276
"685334"	2848.635776	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+H"	1.007276
"1355850"	950.216776	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H"	1.007276
"126550"	950.216776	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+2H"	2.014552
"570121"	1424.821526	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+2H"	2.014552
"1043293"	475.612026	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2H"	2.014552
"212289"	633.813609333333	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+3H"	3.021828
"648572"	950.216776	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+3H"	3.021828
"1169977"	317.410442666667	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+3H"	3.021828
"433249"	1916.452823	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+NH4"	18.033823
"792055"	2865.662323	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+NH4"	18.033823
"1686199"	967.243323	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+NH4"	18.033823
"337758"	958.7300495	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+H+NH4"	19.041099
"733460"	1433.3347995	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+H+NH4"	19.041099
"1482905"	484.1252995	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H+NH4"	19.041099
"398303"	1921.408218	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+Na"	22.989218
"758206"	2870.617718	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+Na"	22.989218
"1610678"	972.198718	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Na"	22.989218
"321812"	961.207747	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+H+Na"	23.996494
"718986"	1435.812497	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+H+Na"	23.996494
"1472440"	486.602997	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H+Na"	23.996494
"1066412"	324.737756666667	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2H+Na"	25.00377
"1265172"	982.242986	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+CH3OH+H"	33.033486
"388127"	1937.382158	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+K"	38.963158
"745843"	2886.591658	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+K"	38.963158
"1552635"	988.172658	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+K"	38.963158
"310540"	969.194717	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+H+K"	39.970434
"702594"	1443.799467	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+H+K"	39.970434
"1456051"	494.589967	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H+K"	39.970434
"243195"	1940.452826	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+ACN+H"	42.033826
"1221007"	991.243326	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+ACN+H"	42.033826
"1207806"	496.125301	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+ACN+2H"	43.041102
"201891"	1943.39016	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+2Na-H"	44.97116
"643154"	2892.59966	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+2Na-H"	44.97116
"1137909"	994.18066	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2Na-H"	44.97116
"183384"	972.198718	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+2Na"	45.978436
"617841"	1446.803468	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+2Na"	45.978436
"1122077"	497.593968	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2Na"	45.978436
"1405602"	332.065070666667	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H+2Na"	46.985712
"1437718"	996.222246	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H+HCOOH"	47.012746
"229601"	977.23174	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+3H2O+2H"	56.04448
"1516568"	1010.27429	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+IsoProp+H"	61.06479
"412974"	980.185688	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+Na+K"	61.952376
"776156"	1454.790438	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+Na+K"	61.952376
"1671394"	505.580938	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Na+K"	61.952376
"255727"	1962.434768	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+ACN+Na"	64.015768
"1230983"	1013.225268	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+ACN+Na"	64.015768
"1722434"	1013.248793	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+NH4+HCOOH"	64.039293
"1190341"	339.392384666667	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+3Na"	68.967654
"1662789"	1018.204188	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Na+HCOOH"	68.994688
"167098"	1975.33804	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+2K-H"	76.91904
"606657"	2924.54754	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+2K-H"	76.91904
"1094091"	1026.12854	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2K-H"	76.91904
"154188"	988.172658	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"2M+2K"	77.926316
"591561"	1462.777408	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"3M+2K"	77.926316
"1077892"	513.567908	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2K"	77.926316
"1115370"	1028.143092	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2K+H"	78.933592
"1351112"	1028.230707	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+DMSO+H"	79.021207
"1021327"	1032.269876	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2ACN+H"	83.060376
"1539507"	1033.263508	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+IsoProp+Na+H"	84.054008
"1002425"	516.638576	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+2ACN+2H"	84.067652
"1598020"	1034.178128	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+K+HCOOH"	84.968628
"1424774"	1064.209638	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+H+CF3COOH"	115.000138
"1159435"	537.151851	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+3ACN+2H"	125.094202
"1710079"	1081.236185	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+NH4+CF3COOH"	132.026685
"1647914"	1086.19158	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+Na+CF3COOH"	136.98208
"1580284"	1102.16552	"C11936"	"3-Isopropenylpimelyl-CoA"	"C31H50N7O19P3S"	"949.2095"	"M+K+CF3COOH"	152.95602
"815760"	168.115	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M"	0
"987466"	149.09661	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"75709"	111.069390666667	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"518285"	167.107724	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"895028"	55.0310573333333	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"14938"	167.107724	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"454742"	251.165224	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"832654"	83.050224	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"93506"	335.222724	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"533794"	503.337724	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"910957"	167.107724	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"60746"	352.249271	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"499214"	520.364271	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"873737"	184.134271	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"44921"	357.204666	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"486834"	525.319666	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"863707"	189.089666	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1633405"	189.089666	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"109083"	185.096063	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"549126"	269.153563	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"937054"	101.038563	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"276705"	371.199402	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"669126"	539.314402	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1284812"	203.084402	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"28099"	373.178606	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"469122"	541.293606	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"845827"	205.063606	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1563123"	205.063606	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"950641"	213.113194	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"366306"	381.228201	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"354925"	395.243851	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1504851"	227.128851	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"971297"	235.095151	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"115830"	203.084402	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"558671"	287.141902	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1029656"	119.026902	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1252518"	247.033885	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1310592"	249.089872	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1330276"	271.071829	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"922427"	281.100586	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1299135"	317.077264	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1378395"	133.102324	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1390427"	151.1123	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"291206"	337.237276	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"684722"	505.352276	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1362528"	169.122276	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H"	1.007276
"133958"	169.122276	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"574613"	253.179776	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1046693"	85.064776	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"210218"	113.083942666667	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"655246"	169.122276	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1172275"	57.0456093333333	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"432268"	354.263823	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"791076"	522.378823	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1690687"	186.148823	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"336780"	177.6355495	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"732483"	261.6930495	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1489586"	93.5780495	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"406079"	359.219218	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"768173"	527.334218	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1617126"	191.104218	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"327766"	180.113247	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"717634"	264.170747	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1474004"	96.055747	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1066889"	64.3729233333333	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1267477"	201.148486	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"389331"	375.193158	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"748139"	543.308158	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1554568"	207.078158	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K"	38.963158
"313853"	188.100217	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"706601"	272.157717	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1460174"	104.042717	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"250720"	378.263826	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1222578"	210.148826	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1206462"	105.578051	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"200788"	381.20116	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"641444"	549.31616	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1141302"	213.08616	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"186416"	191.104218	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"627320"	275.161718	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1130096"	107.046718	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1410460"	71.7002373333333	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1444035"	215.127746	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"232631"	196.13724	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1517777"	229.17979	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"422205"	199.091188	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"785027"	283.148688	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1678070"	115.033688	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"263138"	400.245768	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1238402"	232.130768	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1726202"	232.154293	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1192282"	79.0275513333333	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1659620"	237.109688	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"169032"	413.14904	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"612005"	581.26404	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1099312"	245.03404	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"154665"	207.078158	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"589849"	291.135658	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1079831"	123.020658	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1115564"	247.048592	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1351222"	247.136207	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1021091"	251.175376	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1539373"	252.169008	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1004237"	126.091326	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1598130"	253.083628	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1427071"	283.115138	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1160638"	146.604601	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1709096"	300.141685	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1648024"	305.09708	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1580394"	321.07102	"C11937"	"(1S4R)-1-Hydroxy-2-oxolimonene;(1S4R)-1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"801427"	152.1201	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M"	0
"976268"	133.10171	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"64877"	100.406124	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"503344"	151.112824	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"894524"	49.699424	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"15286"	151.112824	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"455634"	227.172874	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"832406"	75.052774	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"93367"	303.232924	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"533053"	455.353024	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908664"	151.112824	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"62067"	320.259471	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"502116"	472.379571	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"872750"	168.139371	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"37372"	325.214866	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"479118"	477.334966	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"864170"	173.094766	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1633560"	173.094766	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"109192"	169.101163	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"549603"	245.161213	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"940444"	93.041113	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"280825"	339.209602	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"672882"	491.329702	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1286746"	187.089502	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"30032"	341.188806	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"468503"	493.308906	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"845939"	189.068706	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1564326"	189.068706	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"950749"	197.118294	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"373339"	349.238401	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"360259"	363.254051	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1502772"	211.133951	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"971407"	219.100251	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"120314"	187.089502	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"558780"	263.149552	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1027576"	111.029452	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1252628"	231.038985	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1310702"	233.094972	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1331845"	255.076929	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"921444"	265.105686	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1298152"	301.082364	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1377777"	117.107424	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1385434"	135.1174	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"286942"	305.247476	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"682643"	457.367576	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1362270"	153.127376	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"133705"	153.127376	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"573630"	229.187426	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1043520"	77.067326	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"209234"	102.420676	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"649158"	153.127376	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1170199"	51.713976	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"428004"	322.274023	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"788269"	474.394123	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1687516"	170.153923	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"334702"	161.6406495	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"731499"	237.7006995	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1485322"	85.5805995	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"405096"	327.229418	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"767916"	479.349518	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1616018"	175.109318	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"328603"	164.118347	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"716650"	240.178397	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1472293"	88.058297	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1062624"	59.04129	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1263213"	185.153586	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"388348"	343.203358	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"746063"	495.323458	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1553583"	191.083258	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"311854"	172.105317	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"705735"	248.165367	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1458462"	96.045267	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"249979"	346.274026	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1219407"	194.153926	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1203290"	97.580601	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"199438"	349.21136	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"634991"	501.33146	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1138132"	197.09126	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"180329"	175.109318	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627064"	251.169368	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1131016"	99.049268	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1411662"	66.368604	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1443776"	199.132846	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"229825"	180.14234	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1516794"	213.18489	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"422679"	183.096288	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"784045"	259.156338	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1677087"	107.036238	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"263976"	368.255968	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1239968"	216.135868	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1724125"	216.159393	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1191299"	73.695918	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1660458"	221.114788	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"167317"	381.15924	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"609076"	533.27934	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1097961"	229.03914	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"151496"	191.083258	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"589959"	267.143308	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1079941"	115.023208	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1114857"	231.053692	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1350269"	231.141307	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1020954"	235.180476	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1539362"	236.174108	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1000457"	118.093876	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1597147"	237.088728	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1424994"	267.120238	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1157468"	138.607151	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1705925"	284.146785	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1644854"	289.10218	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1580504"	305.07612	"C11938"	"Myrtenol;2-Pinen-10-ol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"802120"	150.1045	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M"	0
"977837"	131.08611	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"64987"	99.0623906666667	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"503819"	149.097224	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"894999"	49.0275573333333	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"15237"	149.097224	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"455200"	224.149474	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"832112"	74.044974	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"93848"	299.201724	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"532922"	449.306224	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"908774"	149.097224	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"62140"	316.228271	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"500524"	466.332771	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"877234"	166.123771	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"42949"	321.183666	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"481415"	471.288166	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"864094"	171.079166	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1633504"	171.079166	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"109505"	167.085563	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"549672"	242.137813	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"940190"	92.033313	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"278020"	335.178402	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"672992"	485.282902	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1285763"	185.073902	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"30142"	337.157606	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"470070"	487.262106	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"847506"	187.053106	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1565165"	187.053106	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"951953"	195.102694	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"373450"	345.207201	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"360247"	359.222851	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1506162"	209.118351	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"971517"	217.084651	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"121517"	185.073902	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"559983"	260.126152	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1027686"	110.021652	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1252738"	229.023385	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1311905"	231.079372	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1332683"	253.061329	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"922647"	263.090086	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1297169"	299.066764	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1378251"	115.091824	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1384815"	133.1018	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"287416"	301.216276	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"684940"	451.320776	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1360194"	151.111776	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H"	1.007276
"134178"	151.111776	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"571552"	226.164026	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1043629"	76.059526	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"210436"	101.076942666667	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"647810"	151.111776	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1168122"	51.0421093333333	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"430301"	318.242823	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"788015"	468.347323	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1687626"	168.138323	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"335176"	159.6250495	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"730516"	234.6772995	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1487619"	84.5727995	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"405206"	323.198218	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"767298"	473.302718	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1615399"	173.093718	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"326527"	162.102747	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"720041"	237.154997	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1473496"	87.050497	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1061641"	58.3694233333333	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1266603"	183.137986	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"382991"	339.172158	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"746173"	489.276658	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1553329"	189.067658	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+K"	38.963158
"311964"	170.089717	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"704387"	245.141967	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1458572"	95.037467	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"250089"	342.242826	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1219517"	192.138326	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1201213"	96.572801	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"200641"	345.18016	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"635830"	495.28466	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1141521"	195.07566	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"180439"	173.093718	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"627178"	248.145968	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1130558"	98.041468	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1411773"	65.6967373333333	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1443523"	197.117246	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"231028"	178.12674	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1520183"	211.16929	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"422062"	181.080688	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"783428"	256.132938	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1678290"	106.028438	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"263721"	364.224768	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1237161"	214.120268	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1725327"	214.143793	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1189586"	73.0240513333333	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1660568"	219.099188	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"168156"	377.12804	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"608092"	527.23254	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1095884"	227.02354	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"152697"	189.067658	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"586789"	264.119908	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1076766"	114.015408	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1114725"	229.038092	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1348554"	229.125707	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1019275"	233.164876	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1537400"	234.158508	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1001656"	117.086076	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1598351"	235.073128	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1425104"	265.104638	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1157578"	137.599351	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1706035"	282.131185	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1644964"	287.08658	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1580614"	303.06052	"C11939"	"Myrtenal"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"804051"	166.0994	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M"	0
"977947"	147.08101	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"65097"	109.725657333333	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"505021"	165.092124	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"893406"	54.3591906666667	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"15026"	165.092124	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"454579"	248.141824	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"831899"	82.042424	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"92862"	331.191524	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"532180"	497.290924	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"908884"	165.092124	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"62049"	348.218071	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"500270"	514.317471	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"875159"	182.118671	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"43058"	353.173466	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"481525"	519.272866	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"857146"	187.074066	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1631784"	187.074066	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"105395"	183.080463	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"548360"	266.130163	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"939569"	100.030763	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"280313"	367.168202	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"670549"	533.267602	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1286968"	201.068802	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"30252"	369.147406	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"468354"	535.246806	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"847251"	203.048006	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1566368"	203.048006	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"950969"	211.097594	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"373559"	377.197001	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"360967"	391.212651	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1506272"	225.113251	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"971626"	233.079551	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"120534"	201.068802	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"556812"	284.118502	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1027796"	118.019102	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1252848"	245.018285	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1312015"	247.074272	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1332793"	269.056229	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"922757"	279.084986	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1300196"	315.061664	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1377632"	131.086724	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1384197"	149.0967	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"291536"	333.206076	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"685050"	499.305476	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1360304"	167.106676	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"135381"	167.106676	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"572755"	250.156376	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1043739"	84.056976	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"210546"	111.740209333333	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"649013"	167.106676	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1168232"	56.3737426666667	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"430411"	350.232623	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"789218"	516.332023	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1687736"	184.133223	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"336015"	175.6199495	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"730626"	258.6696495	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1486636"	92.5702495	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"404588"	355.188018	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"760850"	521.287418	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1611136"	189.088618	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"322264"	178.097647	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"711403"	261.147347	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1468502"	95.047947	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1062844"	63.7010566666667	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1267807"	199.132886	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"383100"	371.161958	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"743002"	537.261358	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1548335"	205.062558	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"309886"	186.084617	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"701579"	269.134317	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1455763"	103.034917	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"248740"	374.232626	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1219627"	208.133226	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1203511"	104.570251	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"198566"	377.16996	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"637033"	543.26936	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1137257"	211.07056	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"181642"	189.088618	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"627406"	272.138318	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1130303"	106.038918	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1411515"	71.0283706666667	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1439257"	213.112146	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"230045"	194.12164	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1518104"	227.16419	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"416700"	197.075588	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"777694"	280.125288	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1676213"	114.025888	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"263830"	396.214568	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1237635"	230.115168	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1724336"	230.138693	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1187503"	78.3556846666667	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1659584"	235.094088	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"166443"	409.11784	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"608202"	575.21724	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1096723"	243.01844	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"152807"	205.062558	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"586899"	288.112258	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1076876"	122.012858	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1114104"	245.032992	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1349757"	245.120607	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1018293"	249.159776	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1537510"	250.153408	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"1002859"	125.083526	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1599555"	251.068028	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1427402"	281.099538	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1158781"	145.596801	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1706145"	298.126085	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1646167"	303.08148	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1580724"	319.05542	"C11940"	"Myrtenic acid;66-Dimethylbicyclo311hept-2-ene-2-carboxylic acid"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"802461"	152.1201	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M"	0
"976236"	133.10171	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"66302"	100.406124	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"504768"	151.112824	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"890236"	49.699424	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"13913"	151.112824	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"450559"	227.172874	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"831641"	75.052774	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"91632"	303.232924	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"532776"	455.353024	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908994"	151.112824	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"56806"	320.259471	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"501837"	472.379571	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"877091"	168.139371	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"42804"	325.214866	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"481635"	477.334966	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"858349"	173.094766	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1631165"	173.094766	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"105505"	169.101163	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"548838"	245.161213	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"940651"	93.041113	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"281152"	339.209602	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"670659"	491.329702	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1284892"	187.089502	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"28542"	341.188806	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"468467"	493.308906	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"846634"	189.068706	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1566478"	189.068706	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"948894"	197.118294	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"373669"	349.238401	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"360349"	363.254051	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1505289"	211.133951	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"971736"	219.100251	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"120644"	187.089502	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"561296"	263.149552	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1030094"	111.029452	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1252958"	231.038985	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1312125"	233.094972	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1331810"	255.076929	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"923961"	265.105686	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1300306"	301.082364	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1377743"	117.107424	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1387951"	135.1174	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"289459"	305.247476	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"685160"	457.367576	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1358226"	153.127376	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"135491"	153.127376	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"576144"	229.187426	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1042755"	77.067326	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"212842"	102.420676	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"650219"	153.127376	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1170530"	51.713976	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"431616"	322.274023	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"791517"	474.394123	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1688941"	170.153923	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"337221"	161.6406495	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"730737"	237.7006995	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1485656"	85.5805995	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"402878"	327.229418	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"760960"	479.349518	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1613433"	175.109318	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"322374"	164.118347	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"712605"	240.178397	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1467518"	88.058297	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1060767"	59.04129	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1265730"	185.153586	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"379930"	343.203358	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"745299"	495.323458	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1550632"	191.083258	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"308901"	172.105317	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"701689"	248.165367	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1456602"	96.045267	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"246662"	346.274026	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1219735"	194.153926	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1203620"	97.580601	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"196487"	349.21136	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"632768"	501.33146	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1137366"	197.09126	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"181752"	175.109318	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"626906"	251.169368	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1130532"	99.049268	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1408346"	66.368604	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1439368"	199.132846	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"227969"	180.14234	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1520403"	213.18489	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"417903"	183.096288	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"778897"	259.156338	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1673043"	107.036238	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"263941"	368.255968	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1237017"	216.135868	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1721896"	216.159393	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1187612"	73.695918	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1660787"	221.114788	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"164367"	381.15924	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"611227"	533.27934	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1096101"	229.03914	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"150730"	191.083258	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"587009"	267.143308	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1078081"	115.023208	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1114338"	231.053692	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1349746"	231.141307	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1017307"	235.180476	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1536162"	236.174108	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1002969"	118.093876	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1599664"	237.088728	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1426416"	267.120238	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1156703"	138.607151	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1705160"	284.146785	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1646277"	289.10218	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1580834"	305.07612	"C11941"	"Pinocarveol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"801721"	152.1201	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M"	0
"979262"	133.10171	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"66412"	100.406124	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"504878"	151.112824	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"887066"	49.699424	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"13295"	151.112824	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"453949"	227.172874	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"832119"	75.052774	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"89555"	303.232924	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"532277"	455.353024	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908011"	151.112824	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"60805"	320.259471	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"501584"	472.379571	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"878170"	168.139371	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"43277"	325.214866	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"475910"	477.334966	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"858459"	173.094766	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1632126"	173.094766	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"105615"	169.101163	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"549355"	245.161213	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"941488"	93.041113	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"281509"	339.209602	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"674048"	491.329702	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1285733"	187.089502	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"29016"	341.188806	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"467847"	493.308906	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"844557"	189.068706	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1570477"	189.068706	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"953378"	197.118294	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"374872"	349.238401	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"358753"	363.254051	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1504305"	211.133951	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"966378"	219.100251	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"119660"	187.089502	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"560313"	263.149552	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1033484"	111.029452	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1250881"	231.038985	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1310413"	233.094972	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1333013"	255.076929	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"921885"	265.105686	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1301510"	301.082364	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1376754"	117.107424	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1390977"	135.1174	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"290662"	305.247476	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"685270"	457.367576	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1359429"	153.127376	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H"	1.007276
"133412"	153.127376	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"571878"	229.187426	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1045052"	77.067326	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"212955"	102.420676	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"651422"	153.127376	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1169549"	51.713976	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"436099"	322.274023	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"793815"	474.394123	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1687957"	170.153923	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"337331"	161.6406495	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"731941"	237.7006995	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1483575"	85.5805995	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"406269"	327.229418	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"763256"	479.349518	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1611350"	175.109318	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"326858"	164.118347	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"711623"	240.178397	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1470910"	88.058297	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1065252"	59.04129	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1265840"	185.153586	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"383321"	343.203358	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"748689"	495.323458	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1552930"	191.083258	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K"	38.963158
"309012"	172.105317	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"704714"	248.165367	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1457441"	96.045267	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"248230"	346.274026	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1223126"	194.153926	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1205916"	97.580601	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"198784"	349.21136	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"633971"	501.33146	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1141852"	197.09126	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"186724"	175.109318	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627259"	251.169368	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1129304"	99.049268	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1411737"	66.368604	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1441665"	199.132846	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"232453"	180.14234	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1520514"	213.18489	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"418013"	183.096288	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"777914"	259.156338	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1675339"	107.036238	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"259673"	368.255968	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1233477"	216.135868	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1725649"	216.159393	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1186627"	73.695918	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1660897"	221.114788	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"165570"	381.15924	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"612557"	533.27934	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1099849"	229.03914	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"153028"	191.083258	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"593681"	267.143308	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1077098"	115.023208	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1115266"	231.053692	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1351079"	231.141307	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1019603"	235.180476	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1539067"	236.174108	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1004052"	118.093876	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1599773"	237.088728	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1427619"	267.120238	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1156813"	138.607151	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1701989"	284.146785	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1646387"	289.10218	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1580944"	305.07612	"C11942"	"trans-2-Methyl-5-isopropylhexa-25-dienal"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"804747"	168.115	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M"	0
"978278"	149.09661	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"66521"	111.069390666667	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"507174"	167.107724	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"894709"	55.0310573333333	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"15351"	167.107724	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"455362"	251.165224	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"832558"	83.050224	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"91851"	335.222724	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"533358"	503.337724	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"908121"	167.107724	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"60306"	352.249271	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"501815"	520.364271	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"877672"	184.134271	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"42294"	357.204666	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"476020"	525.319666	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"861485"	189.089666	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1633208"	189.089666	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"107911"	185.096063	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"549670"	269.153563	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"942327"	101.038563	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"281135"	371.199402	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"675012"	539.314402	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1284383"	203.084402	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"27667"	373.178606	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"466499"	541.293606	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"844302"	205.063606	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1570347"	205.063606	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"948020"	213.113194	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"374619"	381.228201	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"358867"	395.243851	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1504416"	227.128851	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"970862"	235.095151	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"124873"	203.084402	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"562610"	287.141902	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1033594"	119.026902	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1249898"	247.033885	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1312345"	249.089872	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1330937"	271.071829	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"920902"	281.100586	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1300891"	317.077264	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1375772"	133.102324	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1394370"	151.1123	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"292961"	337.237276	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"682102"	505.352276	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1356263"	169.122276	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H"	1.007276
"134618"	169.122276	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"574177"	253.179776	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1045163"	85.064776	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"213796"	113.083942666667	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"651534"	169.122276	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1171846"	57.0456093333333	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"436211"	354.263823	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"796113"	522.378823	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1692441"	186.148823	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"339628"	177.6355495	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"734237"	261.6930495	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1485871"	93.5780495	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"406987"	359.219218	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"765553"	527.334218	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1615469"	191.104218	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"328061"	180.113247	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"713920"	264.170747	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1468834"	96.055747	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1064268"	64.3729233333333	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1270324"	201.148486	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"389990"	375.193158	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"752079"	543.308158	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1554133"	207.078158	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K"	38.963158
"308028"	188.100217	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"702639"	272.157717	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1460470"	104.042717	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"250528"	378.263826	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1219958"	210.148826	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1204933"	105.578051	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"197803"	381.20116	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"642830"	549.31616	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1143057"	213.08616	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"185256"	191.104218	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"628101"	275.161718	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1130507"	107.046718	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1413306"	71.7002373333333	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1444692"	215.127746	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"234750"	196.13724	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1519531"	229.17979	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"415936"	199.091188	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"776931"	283.148688	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1672169"	115.033688	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"260876"	400.245768	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1231401"	232.130768	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1725393"	232.154293	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1184549"	79.0275513333333	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1661007"	237.109688	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"168960"	413.14904	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"610356"	581.26404	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1099651"	245.03404	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"154231"	207.078158	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"595856"	291.135658	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1079394"	123.020658	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1115045"	247.048592	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1350820"	247.136207	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1019228"	251.175376	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1534561"	252.169008	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1004651"	126.091326	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1599885"	253.083628	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1427730"	283.115138	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1161177"	146.604601	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1707566"	300.141685	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1646497"	305.09708	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1581054"	321.07102	"C11943"	"trans-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"801603"	168.115	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M"	0
"976202"	149.09661	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"63473"	111.069390666667	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"505098"	167.107724	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"886184"	55.0310573333333	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"6945"	167.107724	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"454169"	251.165224	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"832582"	83.050224	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"88682"	335.222724	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"531524"	503.337724	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"910420"	167.107724	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"60297"	352.249271	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"500953"	520.364271	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"876689"	184.134271	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"38030"	357.204666	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"473943"	525.319666	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"860866"	189.089666	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1631493"	189.089666	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"105835"	185.096063	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"548681"	269.153563	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"940006"	101.038563	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"281365"	371.199402	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"672083"	539.314402	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1284492"	203.084402	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"25958"	373.178606	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"468435"	541.293606	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"845505"	205.063606	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1569362"	205.063606	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"945213"	213.113194	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"371813"	381.228201	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"357518"	395.243851	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1503431"	227.128851	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"968785"	235.095151	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"123160"	203.084402	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"563813"	287.141902	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1031517"	119.026902	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1250008"	247.033885	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1310631"	249.089872	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1327767"	271.071829	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"921011"	281.100586	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1298813"	317.077264	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1375882"	133.102324	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1390105"	151.1123	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"293071"	337.237276	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"681483"	505.352276	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1356373"	169.122276	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H"	1.007276
"131449"	169.122276	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"569915"	253.179776	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1044180"	85.064776	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"209897"	113.083942666667	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"653832"	169.122276	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1172686"	57.0456093333333	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"434135"	354.263823	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"791849"	522.378823	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1690365"	186.148823	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"337552"	177.6355495	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"728881"	261.6930495	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1484888"	93.5780495	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"407218"	359.219218	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"767846"	527.334218	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1609382"	191.104218	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"327079"	180.113247	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"715124"	264.170747	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1471130"	96.055747	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1066565"	64.3729233333333	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1270433"	201.148486	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"391194"	375.193158	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"751096"	543.308158	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1553880"	207.078158	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K"	38.963158
"309231"	188.100217	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"703842"	272.157717	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1456571"	104.042717	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"249182"	378.263826	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1218973"	210.148826	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1201763"	105.578051	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"196820"	381.20116	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"639661"	549.31616	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1143167"	213.08616	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"179899"	191.104218	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"626019"	275.161718	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1129889"	107.046718	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1410864"	71.7002373333333	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1441885"	215.127746	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"234133"	196.13724	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1521465"	229.17979	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"417138"	199.091188	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"775946"	283.148688	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1672276"	115.033688	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"258797"	400.245768	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1233697"	232.130768	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1724774"	232.154293	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1183566"	79.0275513333333	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1652728"	237.109688	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"167977"	413.14904	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"609737"	581.26404	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1098986"	245.03404	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"154340"	207.078158	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"594873"	291.135658	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1080597"	123.020658	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1114546"	247.048592	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1350444"	247.136207	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1020189"	251.175376	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1535764"	252.169008	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1005127"	126.091326	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1599995"	253.083628	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1428569"	283.115138	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1161407"	146.604601	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1711685"	300.141685	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1637859"	305.09708	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1581164"	321.07102	"C11944"	"cis-2-Methyl-5-isopropylhexa-25-dienoic acid"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"804967"	917.2197	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M"	0
"976676"	898.20131	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H2O-H"	-19.01839
"64919"	610.472524	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-3H"	-3.021828
"505571"	916.212424	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-3H"	-3.021828
"886294"	304.732624	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-3H"	-3.021828
"7055"	916.212424	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H"	-2.014552
"452093"	1374.822274	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H"	-2.014552
"829897"	457.602574	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H"	-2.014552
"90978"	1833.432124	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H"	-1.007276
"532606"	2750.651824	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H"	-1.007276
"908343"	916.212424	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H"	-1.007276
"58342"	1850.458671	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+NH4"	16.019271
"500091"	2767.678371	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+NH4"	16.019271
"875706"	933.238971	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+NH4"	16.019271
"38140"	1855.414066	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+Na"	20.974666
"473324"	2772.633766	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+Na"	20.974666
"860977"	938.194366	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+Na"	20.974666
"1631603"	938.194366	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na-2H"	20.974666
"104851"	934.200763	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H+Cl"	33.962126
"549402"	1392.810613	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H+Cl"	33.962126
"942225"	475.590913	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+Cl"	33.962126
"279048"	1869.408802	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Cl"	34.969402
"675544"	2786.628502	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Cl"	34.969402
"1283510"	952.189102	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl"	34.969402
"24975"	1871.388006	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+K"	36.948606
"469880"	2788.607706	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+K"	36.948606
"844522"	954.168306	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+K"	36.948606
"1566920"	954.168306	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K-2H"	36.948606
"950428"	962.217894	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+HCOOH"	44.998194
"373016"	1879.437601	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+HCOOH-H"	44.998201
"356897"	1893.453251	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Hac-H"	59.013851
"1500261"	976.233551	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Hac-H"	59.013851
"969989"	984.199851	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+NaCOOH"	66.980151
"125093"	952.189102	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Cl"	69.938804
"562829"	1410.798952	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Cl"	69.938804
"1030534"	493.579252	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Cl"	69.938804
"1251211"	996.138585	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Br"	78.918885
"1314752"	998.194572	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+HCOOH"	80.974872
"1331156"	1020.176529	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+NaCOOH"	102.956829
"922214"	1030.205286	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+CF3COOH"	112.985586
"1298923"	1066.181964	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+CF3COOH"	148.962264
"1377085"	882.207024	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-2H2O"	-35.012676
"1390216"	900.217	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-H2O"	-17.0027
"289901"	1835.446676	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H"	1.007276
"679405"	2752.666376	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H"	1.007276
"1359761"	918.226976	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H"	1.007276
"132651"	918.226976	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2H"	2.014552
"574397"	1376.836826	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2H"	2.014552
"1044290"	459.617126	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H"	2.014552
"211098"	612.487076	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H"	3.021828
"650662"	918.226976	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+3H"	3.021828
"1170972"	306.747176	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3H"	3.021828
"436429"	1852.473223	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+NH4"	18.033823
"795239"	2769.692923	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+NH4"	18.033823
"1688287"	935.253523	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4"	18.033823
"338754"	926.7402495	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+NH4"	19.041099
"730083"	1385.3500995	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+NH4"	19.041099
"1482808"	468.1303995	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+NH4"	19.041099
"401491"	1857.428618	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na"	22.989218
"763581"	2774.648318	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na"	22.989218
"1608398"	940.208918	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na"	22.989218
"327189"	929.217947	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+Na"	23.996494
"715962"	1387.827797	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+Na"	23.996494
"1471240"	470.608097	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+Na"	23.996494
"1066675"	314.07449	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H+Na"	25.00377
"1270543"	950.253186	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+CH3OH+H"	33.033486
"391304"	1873.402558	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+K"	38.963158
"751206"	2790.622258	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+K"	38.963158
"1553260"	956.182858	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K"	38.963158
"310437"	937.204917	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+K"	39.970434
"704682"	1395.814767	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+K"	39.970434
"1456681"	478.595067	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+K"	39.970434
"249654"	1876.473226	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+H"	42.033826
"1217989"	959.253526	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+H"	42.033826
"1200780"	480.130401	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+2H"	43.041102
"196929"	1879.41056	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na-H"	44.97116
"638678"	2796.63026	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na-H"	44.97116
"1142183"	962.19086	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na-H"	44.97116
"181103"	940.208918	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na"	45.978436
"625037"	1398.818768	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na"	45.978436
"1125991"	481.599068	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na"	45.978436
"1407694"	321.401804	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+2Na"	46.985712
"1438716"	964.232446	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+HCOOH"	47.012746
"233879"	945.24194	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H2O+2H"	56.04448
"1516473"	978.28449	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+H"	61.06479
"416153"	948.195888	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na+K"	61.952376
"778240"	1406.805738	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na+K"	61.952376
"1670197"	489.586038	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+K"	61.952376
"257812"	1898.455168	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+Na"	64.015768
"1232714"	981.235468	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+Na"	64.015768
"1720509"	981.258993	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+HCOOH"	64.039293
"1183673"	328.729118	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3Na"	68.967654
"1656845"	986.214388	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+HCOOH"	68.994688
"167723"	1911.35844	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K-H"	76.91904
"606554"	2828.57814	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K-H"	76.91904
"1099704"	994.13874	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K-H"	76.91904
"152262"	956.182858	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K"	77.926316
"594010"	1414.792708	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K"	77.926316
"1082651"	497.573008	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K"	77.926316
"1114893"	996.153292	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K+H"	78.933592
"1350915"	996.240907	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+DMSO+H"	79.021207
"1020542"	1000.280076	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+H"	83.060376
"1536967"	1001.273708	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+Na+H"	84.054008
"1005482"	500.643676	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+2H"	84.067652
"1600105"	1002.188328	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+HCOOH"	84.968628
"1427950"	1032.219838	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+CF3COOH"	115.000138
"1162247"	521.156951	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3ACN+2H"	125.094202
"1711431"	1049.246385	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+CF3COOH"	132.026685
"1637969"	1054.20178	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+CF3COOH"	136.98208
"1581274"	1070.17572	"C11945"	"trans-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+CF3COOH"	152.95602
"811638"	917.2197	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M"	0
"978610"	898.20131	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H2O-H"	-19.01839
"64057"	610.472524	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-3H"	-3.021828
"505318"	916.212424	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-3H"	-3.021828
"886404"	304.732624	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-3H"	-3.021828
"7165"	916.212424	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H"	-2.014552
"454024"	1374.822274	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H"	-2.014552
"828914"	457.602574	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H"	-2.014552
"90725"	1833.432124	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H"	-1.007276
"530651"	2750.651824	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H"	-1.007276
"911281"	916.212424	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H"	-1.007276
"56265"	1850.458671	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+NH4"	16.019271
"501542"	2767.678371	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+NH4"	16.019271
"875816"	933.238971	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+NH4"	16.019271
"36424"	1855.414066	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+Na"	20.974666
"475258"	2772.633766	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+Na"	20.974666
"863031"	938.194366	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+Na"	20.974666
"1631713"	938.194366	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na-2H"	20.974666
"107149"	934.200763	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H+Cl"	33.962126
"548900"	1392.810613	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H+Cl"	33.962126
"940957"	475.590913	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+Cl"	33.962126
"279519"	1869.408802	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Cl"	34.969402
"674488"	2786.628502	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Cl"	34.969402
"1283984"	952.189102	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl"	34.969402
"26543"	1871.388006	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+K"	36.948606
"468654"	2788.607706	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+K"	36.948606
"845724"	954.168306	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+K"	36.948606
"1564843"	954.168306	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K-2H"	36.948606
"952725"	962.217894	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+HCOOH"	44.998194
"370940"	1879.437601	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+HCOOH-H"	44.998201
"357009"	1893.453251	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Hac-H"	59.013851
"1504746"	976.233551	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Hac-H"	59.013851
"969006"	984.199851	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+NaCOOH"	66.980151
"122289"	952.189102	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Cl"	69.938804
"562941"	1410.798952	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Cl"	69.938804
"1032832"	493.579252	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Cl"	69.938804
"1252420"	996.138585	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Br"	78.918885
"1317781"	998.194572	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+HCOOH"	80.974872
"1332728"	1020.176529	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+NaCOOH"	102.956829
"924514"	1030.205286	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+CF3COOH"	112.985586
"1296846"	1066.181964	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+CF3COOH"	148.962264
"1379748"	882.207024	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-2H2O"	-35.012676
"1392513"	900.217	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-H2O"	-17.0027
"291105"	1835.446676	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H"	1.007276
"683525"	2752.666376	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H"	1.007276
"1358779"	918.226976	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H"	1.007276
"134948"	918.226976	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2H"	2.014552
"573414"	1376.836826	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2H"	2.014552
"1043306"	459.617126	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H"	2.014552
"212302"	612.487076	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H"	3.021828
"654051"	918.226976	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+3H"	3.021828
"1172176"	306.747176	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3H"	3.021828
"436539"	1852.473223	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+NH4"	18.033823
"796440"	2769.692923	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+NH4"	18.033823
"1687303"	935.253523	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4"	18.033823
"339957"	926.7402495	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+NH4"	19.041099
"731286"	1385.3500995	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+NH4"	19.041099
"1482918"	468.1303995	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+NH4"	19.041099
"401601"	1857.428618	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na"	22.989218
"764784"	2774.648318	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na"	22.989218
"1609601"	940.208918	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na"	22.989218
"328518"	929.217947	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+Na"	23.996494
"717166"	1387.827797	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+Na"	23.996494
"1470258"	470.608097	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+Na"	23.996494
"1066785"	314.07449	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H+Na"	25.00377
"1269559"	950.253186	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+CH3OH+H"	33.033486
"389227"	1873.402558	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+K"	38.963158
"752410"	2790.622258	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+K"	38.963158
"1553007"	956.182858	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K"	38.963158
"312370"	937.204917	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+K"	39.970434
"703699"	1395.814767	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+K"	39.970434
"1455698"	478.595067	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+K"	39.970434
"249401"	1876.473226	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+H"	42.033826
"1215912"	959.253526	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+H"	42.033826
"1201984"	480.130401	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+2H"	43.041102
"199226"	1879.41056	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na-H"	44.97116
"640610"	2796.63026	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na-H"	44.97116
"1141200"	962.19086	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na-H"	44.97116
"182306"	940.208918	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na"	45.978436
"621865"	1398.818768	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na"	45.978436
"1125371"	481.599068	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na"	45.978436
"1406711"	321.401804	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+2Na"	46.985712
"1438826"	964.232446	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+HCOOH"	47.012746
"231801"	945.24194	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H2O+2H"	56.04448
"1519499"	978.28449	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+H"	61.06479
"415173"	948.195888	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na+K"	61.952376
"777258"	1406.805738	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na+K"	61.952376
"1672495"	489.586038	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+K"	61.952376
"257922"	1898.455168	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+Na"	64.015768
"1234651"	981.235468	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+Na"	64.015768
"1724632"	981.258993	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+HCOOH"	64.039293
"1185974"	328.729118	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3Na"	68.967654
"1654771"	986.214388	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+HCOOH"	68.994688
"167833"	1911.35844	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K-H"	76.91904
"606665"	2828.57814	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K-H"	76.91904
"1099207"	994.13874	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K-H"	76.91904
"156143"	956.182858	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K"	77.926316
"593027"	1414.792708	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K"	77.926316
"1079723"	497.573008	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K"	77.926316
"1115250"	996.153292	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K+H"	78.933592
"1349569"	996.240907	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+DMSO+H"	79.021207
"1021277"	1000.280076	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+H"	83.060376
"1538778"	1001.273708	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+Na+H"	84.054008
"1004983"	500.643676	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+2H"	84.067652
"1598026"	1002.188328	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+HCOOH"	84.968628
"1429153"	1032.219838	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+CF3COOH"	115.000138
"1161506"	521.156951	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3ACN+2H"	125.094202
"1708990"	1049.246385	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+CF3COOH"	132.026685
"1646827"	1054.20178	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+CF3COOH"	136.98208
"1581384"	1070.17572	"C11946"	"cis-2-Methyl-5-isopropylhexa-25-dienoyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+CF3COOH"	152.95602
"802635"	935.2302	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M"	0
"977625"	916.21181	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H2O-H"	-19.01839
"64775"	622.479524	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-3H"	-3.021828
"506521"	934.222924	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-3H"	-3.021828
"886514"	310.736124	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-3H"	-3.021828
"7275"	934.222924	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H"	-2.014552
"452311"	1401.838024	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H"	-2.014552
"826835"	466.607824	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H"	-2.014552
"90105"	1869.453124	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-H"	-1.007276
"530761"	2804.683324	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-H"	-1.007276
"910266"	934.222924	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H"	-1.007276
"60748"	1886.479671	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H+NH4"	16.019271
"501162"	2821.709871	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H+NH4"	16.019271
"874833"	951.249471	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H+NH4"	16.019271
"36898"	1891.435066	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H+Na"	20.974666
"475732"	2826.665266	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H+Na"	20.974666
"862290"	956.204866	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H+Na"	20.974666
"1632920"	956.204866	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na-2H"	20.974666
"106166"	952.211263	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-H+Cl"	33.962126
"546823"	1419.826363	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-H+Cl"	33.962126
"939974"	484.596163	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+Cl"	33.962126
"280597"	1905.429802	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Cl"	34.969402
"673140"	2840.660002	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+Cl"	34.969402
"1281543"	970.199602	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl"	34.969402
"26653"	1907.409006	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M-2H+K"	36.948606
"467672"	2842.639206	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M-2H+K"	36.948606
"845471"	972.178806	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-2H+K"	36.948606
"1567140"	972.178806	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K-2H"	36.948606
"953566"	980.228394	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+HCOOH"	44.998194
"372145"	1915.458601	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+HCOOH-H"	44.998201
"356025"	1929.474251	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Hac-H"	59.013851
"1501577"	994.244051	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Hac-H"	59.013851
"969117"	1002.210351	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+NaCOOH"	66.980151
"121671"	970.199602	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2Cl"	69.938804
"561231"	1437.814702	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2Cl"	69.938804
"1032942"	502.584502	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2Cl"	69.938804
"1252530"	1014.149085	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Br"	78.918885
"1313883"	1016.205072	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl+HCOOH"	80.974872
"1326276"	1038.187029	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl+NaCOOH"	102.956829
"921343"	1048.215786	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M-H+CF3COOH"	112.985586
"1296956"	1084.192464	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Cl+CF3COOH"	148.962264
"1378765"	900.217524	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H-2H2O"	-35.012676
"1393714"	918.2275	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H-H2O"	-17.0027
"291215"	1871.467676	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H"	1.007276
"682542"	2806.697876	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H"	1.007276
"1357795"	936.237476	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H"	1.007276
"133601"	936.237476	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2H"	2.014552
"571337"	1403.852576	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2H"	2.014552
"1043416"	468.622376	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2H"	2.014552
"211318"	624.494076	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+3H"	3.021828
"658169"	936.237476	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+3H"	3.021828
"1174471"	312.750676	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+3H"	3.021828
"437742"	1888.494223	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+NH4"	18.033823
"797643"	2823.724423	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+NH4"	18.033823
"1688506"	953.264023	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+NH4"	18.033823
"343346"	944.7507495	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H+NH4"	19.041099
"734675"	1412.3658495	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H+NH4"	19.041099
"1484121"	477.1356495	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+NH4"	19.041099
"403897"	1893.449618	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Na"	22.989218
"764894"	2828.679818	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+Na"	22.989218
"1612990"	958.219418	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na"	22.989218
"327655"	947.228447	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H+Na"	23.996494
"715454"	1414.843547	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H+Na"	23.996494
"1471462"	479.613347	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+Na"	23.996494
"1065800"	320.07799	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2H+Na"	25.00377
"1269669"	968.263686	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+CH3OH+H"	33.033486
"391524"	1909.423558	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+K"	38.963158
"752764"	2844.653758	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+K"	38.963158
"1553115"	974.193358	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K"	38.963158
"310657"	955.215417	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+H+K"	39.970434
"703079"	1422.830517	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+H+K"	39.970434
"1453622"	487.600317	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+K"	39.970434
"248782"	1912.494226	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+ACN+H"	42.033826
"1216023"	977.264026	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+ACN+H"	42.033826
"1203186"	489.135651	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+ACN+2H"	43.041102
"193869"	1915.43156	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2Na-H"	44.97116
"635617"	2850.66176	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2Na-H"	44.97116
"1141310"	980.20136	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2Na-H"	44.97116
"178043"	958.219418	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2Na"	45.978436
"618695"	1425.834518	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2Na"	45.978436
"1124387"	490.604318	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2Na"	45.978436
"1407186"	327.405304	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+2Na"	46.985712
"1436021"	982.242946	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+HCOOH"	47.012746
"228996"	963.25244	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+3H2O+2H"	56.04448
"1516328"	996.29499	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+IsoProp+H"	61.06479
"415283"	966.206388	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+Na+K"	61.952376
"774453"	1433.821488	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+Na+K"	61.952376
"1671512"	498.591288	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na+K"	61.952376
"255477"	1934.476168	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+ACN+Na"	64.015768
"1234027"	999.245968	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+ACN+Na"	64.015768
"1719270"	999.269493	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+NH4+HCOOH"	64.039293
"1186083"	334.732618	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+3Na"	68.967654
"1655974"	1004.224888	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na+HCOOH"	68.994688
"163929"	1947.37944	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2K-H"	76.91904
"603493"	2882.60964	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2K-H"	76.91904
"1096761"	1012.14924	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2K-H"	76.91904
"155890"	974.193358	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"2M+2K"	77.926316
"593137"	1441.808458	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"3M+2K"	77.926316
"1080562"	506.578258	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2K"	77.926316
"1114141"	1014.163792	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2K+H"	78.933592
"1349432"	1014.251407	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+DMSO+H"	79.021207
"1020930"	1018.290576	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2ACN+H"	83.060376
"1539619"	1019.284208	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+IsoProp+Na+H"	84.054008
"1004972"	509.648926	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+2ACN+2H"	84.067652
"1601784"	1020.198828	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K+HCOOH"	84.968628
"1425983"	1050.230338	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+H+CF3COOH"	115.000138
"1160645"	530.162201	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+3ACN+2H"	125.094202
"1709100"	1067.256885	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+NH4+CF3COOH"	132.026685
"1646937"	1072.21228	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+Na+CF3COOH"	136.98208
"1581494"	1088.18622	"C11947"	"3-Hydroxy-26-dimethyl-5-methylene-heptanoyl-CoA"	"C31H52N7O18P3S"	"935.2302"	"M+K+CF3COOH"	152.95602
"802381"	933.2146	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M"	0
"977734"	914.19621	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H2O-H"	-19.01839
"63913"	621.135790666667	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-3H"	-3.021828
"505538"	932.207324	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-3H"	-3.021828
"886624"	310.064257333333	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-3H"	-3.021828
"7385"	932.207324	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H"	-2.014552
"453514"	1398.814624	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H"	-2.014552
"830224"	465.600024	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H"	-2.014552
"93374"	1865.421924	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H"	-1.007276
"530871"	2798.636524	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H"	-1.007276
"909646"	932.207324	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H"	-1.007276
"61587"	1882.448471	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+NH4"	16.019271
"500421"	2815.663071	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+NH4"	16.019271
"874943"	949.233871	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+NH4"	16.019271
"36644"	1887.403866	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+Na"	20.974666
"473286"	2820.618466	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+Na"	20.974666
"864144"	954.189266	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+Na"	20.974666
"1633025"	954.189266	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na-2H"	20.974666
"106275"	950.195663	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-H+Cl"	33.962126
"547660"	1416.802963	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-H+Cl"	33.962126
"940812"	483.588363	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+Cl"	33.962126
"280103"	1901.398602	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Cl"	34.969402
"673248"	2834.613202	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Cl"	34.969402
"1282017"	968.184002	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl"	34.969402
"28949"	1903.377806	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M-2H+K"	36.948606
"468874"	2836.592406	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M-2H+K"	36.948606
"844852"	970.163206	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-2H+K"	36.948606
"1567251"	970.163206	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K-2H"	36.948606
"954042"	978.212794	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+HCOOH"	44.998194
"373349"	1911.427401	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+HCOOH-H"	44.998201
"355043"	1925.443051	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Hac-H"	59.013851
"1500229"	992.228451	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Hac-H"	59.013851
"967041"	1000.194751	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+NaCOOH"	66.980151
"121783"	968.184002	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Cl"	69.938804
"561705"	1434.791302	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Cl"	69.938804
"1032689"	501.576702	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Cl"	69.938804
"1253369"	1012.133485	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Br"	78.918885
"1315087"	1014.189472	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+HCOOH"	80.974872
"1330397"	1036.171429	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+NaCOOH"	102.956829
"920360"	1046.200186	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M-H+CF3COOH"	112.985586
"1298160"	1082.176864	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Cl+CF3COOH"	148.962264
"1376325"	898.201924	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-2H2O"	-35.012676
"1393824"	916.2119	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H-H2O"	-17.0027
"292418"	1867.436476	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H"	1.007276
"684838"	2800.651076	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H"	1.007276
"1357540"	934.221876	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H"	1.007276
"132981"	934.221876	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2H"	2.014552
"570353"	1400.829176	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2H"	2.014552
"1042433"	467.614576	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H"	2.014552
"213616"	623.150342666667	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H"	3.021828
"656092"	934.221876	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+3H"	3.021828
"1172394"	312.078809333333	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3H"	3.021828
"435666"	1884.463023	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+NH4"	18.033823
"796660"	2817.677623	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+NH4"	18.033823
"1690803"	951.248423	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4"	18.033823
"339084"	942.7351495	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+NH4"	19.041099
"730413"	1409.3424495	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+NH4"	19.041099
"1483138"	476.1278495	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+NH4"	19.041099
"400728"	1889.418418	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na"	22.989218
"765004"	2822.633018	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na"	22.989218
"1612007"	956.203818	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na"	22.989218
"329469"	945.212847	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+Na"	23.996494
"721032"	1411.820147	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+Na"	23.996494
"1473759"	478.605547	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+Na"	23.996494
"1064817"	319.406123333333	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2H+Na"	25.00377
"1268686"	966.248086	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+CH3OH+H"	33.033486
"387260"	1905.392358	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+K"	38.963158
"752266"	2838.606958	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+K"	38.963158
"1552132"	972.177758	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K"	38.963158
"309671"	953.199817	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+H+K"	39.970434
"704647"	1419.807117	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+H+K"	39.970434
"1458100"	486.592517	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+K"	39.970434
"250794"	1908.463026	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+H"	42.033826
"1220509"	975.248426	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+H"	42.033826
"1208521"	488.127851	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+2H"	43.041102
"198353"	1911.40036	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na-H"	44.97116
"639007"	2844.61496	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na-H"	44.97116
"1142513"	978.18576	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na-H"	44.97116
"183620"	956.203818	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2Na"	45.978436
"625001"	1422.811118	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2Na"	45.978436
"1126684"	489.596518	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2Na"	45.978436
"1406930"	326.733437333333	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+2Na"	46.985712
"1437952"	980.227346	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+HCOOH"	47.012746
"230927"	961.23684	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+3H2O+2H"	56.04448
"1516802"	994.27939	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+H"	61.06479
"413571"	964.190788	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+Na+K"	61.952376
"773834"	1430.798088	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+Na+K"	61.952376
"1669800"	497.583488	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+K"	61.952376
"256680"	1930.444968	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+ACN+Na"	64.015768
"1234137"	997.230368	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+ACN+Na"	64.015768
"1719743"	997.253893	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+HCOOH"	64.039293
"1185100"	334.060751333333	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3Na"	68.967654
"1657177"	1002.209288	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+HCOOH"	68.994688
"164039"	1943.34824	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K-H"	76.91904
"603604"	2876.56284	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K-H"	76.91904
"1094684"	1010.13364	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K-H"	76.91904
"147125"	972.177758	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"2M+2K"	77.926316
"593247"	1438.785058	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"3M+2K"	77.926316
"1077757"	505.570458	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K"	77.926316
"1113158"	1012.148192	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2K+H"	78.933592
"1348449"	1012.235807	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+DMSO+H"	79.021207
"1020758"	1016.274976	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+H"	83.060376
"1539245"	1017.268608	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+IsoProp+Na+H"	84.054008
"1004475"	508.641126	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+2ACN+2H"	84.067652
"1601527"	1018.183228	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+HCOOH"	84.968628
"1427916"	1048.214738	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+H+CF3COOH"	115.000138
"1160755"	529.154401	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+3ACN+2H"	125.094202
"1709211"	1065.241285	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+NH4+CF3COOH"	132.026685
"1647047"	1070.19668	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+Na+CF3COOH"	136.98208
"1581604"	1086.17062	"C11948"	"26-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA"	"C31H50N7O18P3S"	"933.2146"	"M+K+CF3COOH"	152.95602
"811968"	877.1884	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M"	0
"977844"	858.17001	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H2O-H"	-19.01839
"71557"	583.784990666667	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-3H"	-3.021828
"506743"	876.181124	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-3H"	-3.021828
"886734"	291.388857333333	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-3H"	-3.021828
"8590"	876.181124	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H"	-2.014552
"448156"	1314.775324	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H"	-2.014552
"825960"	437.586924	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H"	-2.014552
"87045"	1753.369524	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-H"	-1.007276
"522230"	2630.557924	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-H"	-1.007276
"898570"	876.181124	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H"	-1.007276
"51488"	1770.396071	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+NH4"	16.019271
"492873"	2647.584471	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+NH4"	16.019271
"866300"	893.207671	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+NH4"	16.019271
"35660"	1775.351466	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+Na"	20.974666
"472422"	2652.539866	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+Na"	20.974666
"863235"	898.163066	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+Na"	20.974666
"1632043"	898.163066	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na-2H"	20.974666
"103105"	894.169463	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-H+Cl"	33.962126
"541570"	1332.763663	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-H+Cl"	33.962126
"933992"	455.575263	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+Cl"	33.962126
"280209"	1789.346202	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Cl"	34.969402
"670441"	2666.534602	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Cl"	34.969402
"1287960"	912.157802	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl"	34.969402
"30642"	1791.325406	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+K"	36.948606
"470077"	2668.513806	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+K"	36.948606
"846784"	914.137006	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+K"	36.948606
"1570884"	914.137006	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K-2H"	36.948606
"956703"	922.186594	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+HCOOH"	44.998194
"374552"	1799.375001	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+HCOOH-H"	44.998201
"358431"	1813.390651	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Hac-H"	59.013851
"1500702"	936.202251	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Hac-H"	59.013851
"966058"	944.168551	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+NaCOOH"	66.980151
"122257"	912.157802	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Cl"	69.938804
"559991"	1350.752002	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Cl"	69.938804
"1030978"	473.563602	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Cl"	69.938804
"1252383"	956.107285	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Br"	78.918885
"1313008"	958.163272	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+HCOOH"	80.974872
"1331599"	980.145229	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+NaCOOH"	102.956829
"922656"	990.173986	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+CF3COOH"	112.985586
"1298270"	1026.150664	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+CF3COOH"	148.962264
"1378257"	842.175724	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H-2H2O"	-35.012676
"1388466"	860.1857	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H-H2O"	-17.0027
"292890"	1755.384076	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H"	1.007276
"682761"	2632.572476	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H"	1.007276
"1356921"	878.195676	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H"	1.007276
"127257"	878.195676	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2H"	2.014552
"568639"	1316.789876	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2H"	2.014552
"1040719"	439.601476	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2H"	2.014552
"213724"	585.799542666667	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+3H"	3.021828
"652190"	878.195676	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+3H"	3.021828
"1169223"	293.403409333333	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3H"	3.021828
"427027"	1772.410623	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+NH4"	18.033823
"792395"	2649.599023	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+NH4"	18.033823
"1690913"	895.222223	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4"	18.033823
"335912"	886.7089495	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+NH4"	19.041099
"729425"	1325.3031495	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+NH4"	19.041099
"1482152"	448.1147495	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+NH4"	19.041099
"397552"	1777.366018	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Na"	22.989218
"761833"	2654.554418	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Na"	22.989218
"1612117"	900.177618	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na"	22.989218
"329937"	889.186647	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+Na"	23.996494
"721142"	1327.780847	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+Na"	23.996494
"1473869"	450.592447	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+Na"	23.996494
"1066020"	300.730723333333	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2H+Na"	25.00377
"1271348"	910.221886	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+CH3OH+H"	33.033486
"392690"	1793.339958	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+K"	38.963158
"753834"	2670.528358	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+K"	38.963158
"1551878"	916.151558	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K"	38.963158
"310146"	897.173617	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+K"	39.970434
"703664"	1335.767817	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+K"	39.970434
"1456024"	458.579417	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+K"	39.970434
"249731"	1796.410626	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+ACN+H"	42.033826
"1222441"	919.222226	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+H"	42.033826
"1207781"	460.114751	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+2H"	43.041102
"198463"	1799.34796	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Na-H"	44.97116
"640212"	2676.53636	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Na-H"	44.97116
"1141895"	922.15956	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Na-H"	44.97116
"180450"	900.177618	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Na"	45.978436
"624382"	1338.771818	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Na"	45.978436
"1123514"	461.583418	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Na"	45.978436
"1408133"	308.058037333333	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+2Na"	46.985712
"1439155"	924.201146	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+HCOOH"	47.012746
"228849"	905.21064	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+3H2O+2H"	56.04448
"1516912"	938.25319	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+IsoProp+H"	61.06479
"412224"	908.164588	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Na+K"	61.952376
"774311"	1346.758788	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Na+K"	61.952376
"1670638"	469.570388	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+K"	61.952376
"260434"	1818.392568	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+ACN+Na"	64.015768
"1229143"	941.204168	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+Na"	64.015768
"1718030"	941.227693	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4+HCOOH"	64.039293
"1183022"	315.385351333333	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3Na"	68.967654
"1653278"	946.183088	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+HCOOH"	68.994688
"161963"	1831.29584	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2K-H"	76.91904
"602619"	2708.48424	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2K-H"	76.91904
"1094793"	954.10744	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K-H"	76.91904
"148328"	916.151558	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2K"	77.926316
"592264"	1354.745758	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2K"	77.926316
"1076775"	477.557358	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K"	77.926316
"1112174"	956.121992	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K+H"	78.933592
"1348559"	956.209607	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+DMSO+H"	79.021207
"1020866"	960.248776	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2ACN+H"	83.060376
"1539559"	961.242408	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+IsoProp+Na+H"	84.054008
"1004951"	480.628026	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2ACN+2H"	84.067652
"1602682"	962.157028	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K+HCOOH"	84.968628
"1428026"	992.188538	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+CF3COOH"	115.000138
"1158678"	501.141301	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3ACN+2H"	125.094202
"1709321"	1009.215085	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4+CF3COOH"	132.026685
"1641689"	1014.17048	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+CF3COOH"	136.98208
"1581714"	1030.14442	"C11949"	"3-Isopropylbut-3-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K+CF3COOH"	152.95602
"805517"	128.0837	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M"	0
"976862"	109.06531	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-H2O-H"	-19.01839
"68387"	84.3818573333333	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M-3H"	-3.021828
"505759"	127.076424	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M-3H"	-3.021828
"887939"	41.6872906666667	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-3H"	-3.021828
"14777"	127.076424	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M-2H"	-2.014552
"450453"	191.118274	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M-2H"	-2.014552
"827164"	63.034574	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-2H"	-2.014552
"87155"	255.160124	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M-H"	-1.007276
"523433"	383.243824	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M-H"	-1.007276
"900139"	127.076424	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-H"	-1.007276
"48314"	272.186671	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M-2H+NH4"	16.019271
"491890"	400.270371	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M-2H+NH4"	16.019271
"870788"	144.102971	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-2H+NH4"	16.019271
"38688"	277.142066	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M-2H+Na"	20.974666
"479340"	405.225766	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M-2H+Na"	20.974666
"863588"	149.058366	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-2H+Na"	20.974666
"1632884"	149.058366	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Na-2H"	20.974666
"104308"	145.064763	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M-H+Cl"	33.962126
"541682"	209.106613	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M-H+Cl"	33.962126
"938477"	81.022913	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-H+Cl"	33.962126
"267797"	291.136802	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+Cl"	34.969402
"667270"	419.220502	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+Cl"	34.969402
"1285151"	163.053102	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Cl"	34.969402
"30830"	293.116006	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M-2H+K"	36.948606
"471119"	421.199706	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M-2H+K"	36.948606
"847258"	165.032306	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-2H+K"	36.948606
"1568564"	165.032306	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+K-2H"	36.948606
"956448"	173.081894	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-H+HCOOH"	44.998194
"374661"	301.165601	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+HCOOH-H"	44.998201
"356354"	315.181251	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+Hac-H"	59.013851
"1501906"	187.097551	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Hac-H"	59.013851
"966168"	195.063851	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-H+NaCOOH"	66.980151
"120542"	163.053102	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+2Cl"	69.938804
"561194"	227.094952	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+2Cl"	69.938804
"1031084"	99.011252	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2Cl"	69.938804
"1253585"	207.002585	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Br"	78.918885
"1314210"	209.058572	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Cl+HCOOH"	80.974872
"1330615"	231.040529	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Cl+NaCOOH"	102.956829
"922766"	241.069286	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M-H+CF3COOH"	112.985586
"1298380"	277.045964	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Cl+CF3COOH"	148.962264
"1378732"	93.071024	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H-2H2O"	-35.012676
"1387483"	111.081	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H-H2O"	-17.0027
"290448"	257.174676	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+H"	1.007276
"679588"	385.258376	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+H"	1.007276
"1358124"	129.090976	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H"	1.007276
"127731"	129.090976	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+2H"	2.014552
"568385"	193.132826	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+2H"	2.014552
"1040465"	65.049126	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2H"	2.014552
"209460"	86.3964093333333	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+3H"	3.021828
"647927"	129.090976	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+3H"	3.021828
"1170424"	43.7018426666667	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+3H"	3.021828
"430415"	274.201223	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+NH4"	18.033823
"788493"	402.284923	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+NH4"	18.033823
"1685554"	146.117523	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+NH4"	18.033823
"332009"	137.6042495	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+H+NH4"	19.041099
"724427"	201.6460995	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+H+NH4"	19.041099
"1480439"	73.5623995	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H+NH4"	19.041099
"395839"	279.156618	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+Na"	22.989218
"757570"	407.240318	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+Na"	22.989218
"1607855"	151.072918	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Na"	22.989218
"329649"	140.081947	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+H+Na"	23.996494
"722232"	204.123797	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+H+Na"	23.996494
"1476049"	76.040097	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H+Na"	23.996494
"1066498"	51.0291566666667	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2H+Na"	25.00377
"1272360"	161.117186	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+CH3OH+H"	33.033486
"392673"	295.130558	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+K"	38.963158
"753583"	423.214258	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+K"	38.963158
"1555273"	167.046858	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+K"	38.963158
"311718"	148.068917	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+H+K"	39.970434
"706325"	212.110767	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+H+K"	39.970434
"1460144"	84.027067	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H+K"	39.970434
"249111"	298.201226	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+ACN+H"	42.033826
"1218543"	170.117526	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+ACN+H"	42.033826
"1203518"	85.562401	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+ACN+2H"	43.041102
"200397"	301.13856	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+2Na-H"	44.97116
"639228"	429.22226	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+2Na-H"	44.97116
"1142370"	173.05486	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2Na-H"	44.97116
"183840"	151.072918	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+2Na"	45.978436
"624858"	215.114768	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+2Na"	45.978436
"1127271"	87.031068	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2Na"	45.978436
"1409338"	58.3564706666667	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H+2Na"	46.985712
"1441089"	175.096446	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H+HCOOH"	47.012746
"231877"	156.10594	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+3H2O+2H"	56.04448
"1518482"	189.14849	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+IsoProp+H"	61.06479
"413427"	159.059888	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+Na+K"	61.952376
"773327"	223.101738	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+Na+K"	61.952376
"1671842"	95.018038	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Na+K"	61.952376
"258722"	320.183168	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+ACN+Na"	64.015768
"1228160"	192.099468	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+ACN+Na"	64.015768
"1714131"	192.122993	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+NH4+HCOOH"	64.039293
"1180579"	65.6837846666667	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+3Na"	68.967654
"1653024"	197.078388	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Na+HCOOH"	68.994688
"163166"	333.08644	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+2K-H"	76.91904
"600543"	461.17014	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+2K-H"	76.91904
"1095996"	205.00274	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2K-H"	76.91904
"150624"	167.046858	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"2M+2K"	77.926316
"592374"	231.088708	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"3M+2K"	77.926316
"1079071"	103.005008	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2K"	77.926316
"1110097"	207.017292	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2K+H"	78.933592
"1348665"	207.104907	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+DMSO+H"	79.021207
"1020890"	211.144076	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2ACN+H"	83.060376
"1539704"	212.137708	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+IsoProp+Na+H"	84.054008
"1005425"	106.075676	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+2ACN+2H"	84.067652
"1602478"	213.052328	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+K+HCOOH"	84.968628
"1426314"	243.083838	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+H+CF3COOH"	115.000138
"1158788"	126.588951	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+3ACN+2H"	125.094202
"1710525"	260.110385	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+NH4+CF3COOH"	132.026685
"1647267"	265.06578	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+Na+CF3COOH"	136.98208
"1581824"	281.03972	"C11950"	"3-Isopropyl-3-butenoic acid;3-Isopropylbut-3-enoic acid"	"C7H12O2"	"128.0837"	"M+K+CF3COOH"	152.95602
"802589"	152.1201	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M"	0
"976970"	133.10171	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"63269"	100.406124	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"506962"	151.112824	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"883674"	49.699424	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"182"	151.112824	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"450563"	227.172874	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"827274"	75.052774	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"87265"	303.232924	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"524636"	455.353024	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"900249"	151.112824	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"48300"	320.259471	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"493093"	472.379571	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"871991"	168.139371	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"39527"	325.214866	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"478357"	477.334966	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"862363"	173.094766	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1632261"	173.094766	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"107698"	169.101163	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"547260"	245.161213	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"940897"	93.041113	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"272771"	339.209602	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"667380"	491.329702	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1287816"	187.089502	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"30694"	341.188806	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"471149"	493.308906	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"848099"	189.068706	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1569403"	189.068706	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"954372"	197.118294	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"374769"	349.238401	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"355371"	363.254051	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1503839"	211.133951	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"967369"	219.100251	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"117372"	187.089502	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"561302"	263.149552	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1031193"	111.029452	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1252602"	231.038985	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1312133"	233.094972	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1331818"	255.076929	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"921783"	265.105686	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1299583"	301.082364	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1380663"	117.107424	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1393061"	135.1174	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"292381"	305.247476	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"681885"	457.367576	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1359327"	153.127376	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"133311"	153.127376	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"571776"	229.187426	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1040575"	77.067326	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"209570"	102.420676	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"648037"	153.127376	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1170534"	51.713976	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"429431"	322.274023	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"788603"	474.394123	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1685664"	170.153923	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"332847"	161.6406495	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"724174"	237.7006995	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1480548"	85.5805995	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"398864"	327.229418	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"758770"	479.349518	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1604685"	175.109318	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"328216"	164.118347	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"721493"	240.178397	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1474458"	88.058297	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1065151"	59.04129	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1271943"	185.153586	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"392337"	343.203358	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"753332"	495.323458	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1554778"	191.083258	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"313289"	172.105317	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"704978"	248.165367	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1459525"	96.045267	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"249829"	346.274026	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1220841"	194.153926	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1204724"	97.580601	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"202452"	349.21136	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"640433"	501.33146	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1143937"	197.09126	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"185044"	175.109318	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"625942"	251.169368	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1124826"	99.049268	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1409813"	66.368604	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1441564"	199.132846	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"232352"	180.14234	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1519318"	213.18489	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"413537"	183.096288	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"772708"	259.156338	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1670859"	107.036238	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"257739"	368.255968	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1230091"	216.135868	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1715333"	216.159393	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1179961"	73.695918	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1652041"	221.114788	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"163276"	381.15924	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"602839"	533.27934	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1093920"	229.03914	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"151827"	191.083258	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"593577"	267.143308	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1078088"	115.023208	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1111300"	231.053692	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1347682"	231.141307	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1020958"	235.180476	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1539804"	236.174108	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1004684"	118.093876	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1602561"	237.088728	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1428611"	267.120238	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1160724"	138.607151	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1710635"	284.146785	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1647377"	289.10218	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1581934"	305.07612	"C11951"	"()-cis-Isopulegone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"802821"	154.1358	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M"	0
"978174"	135.11741	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"64959"	101.749924	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"505979"	153.128524	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"883784"	50.371324	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"1264"	153.128524	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"446297"	230.196424	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828477"	76.060624	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"91627"	307.264324	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"526933"	461.400124	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"901453"	153.128524	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"51815"	324.290871	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"491012"	478.426671	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"878178"	170.155071	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"38910"	329.246266	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"478470"	483.382066	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"863080"	175.110466	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1632979"	175.110466	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"107808"	171.116863	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"548099"	248.184763	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"935416"	94.048963	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"276159"	343.241002	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"666396"	497.376802	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1284278"	189.105202	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"29751"	345.220206	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"470532"	499.356006	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"848087"	191.084406	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1570241"	191.084406	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"956303"	199.133994	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"374513"	353.269801	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"357302"	367.285451	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1503583"	213.149651	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"966384"	221.115951	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"120759"	189.105202	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"560320"	266.173102	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1031303"	112.037302	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1252347"	233.054685	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1313336"	235.110672	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1330470"	257.092629	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"922622"	267.121386	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1298599"	303.098064	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1380044"	119.123124	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1389888"	137.1331	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"293948"	309.278876	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"680901"	463.414676	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1357250"	155.143076	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H"	1.007276
"127221"	155.143076	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"570790"	232.210976	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1040684"	78.075176	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"206760"	103.764476	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"646685"	155.143076	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1164440"	52.385876	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"427349"	326.305423	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"788708"	480.441223	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1686129"	172.169623	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"332586"	163.6563495	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"724281"	240.7242495	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1477112"	86.5884495	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"393258"	331.260818	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"761066"	485.396618	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1611355"	177.125018	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"329416"	166.134047	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"722092"	243.201947	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1476277"	89.066147	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1067936"	59.71319	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1271775"	187.169286	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"391839"	347.234758	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"753200"	501.370558	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1555014"	193.098958	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+K"	38.963158
"313279"	174.121017	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"706307"	251.188917	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1460489"	97.053117	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"250427"	350.305426	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1215482"	196.169626	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1207020"	98.588451	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"201592"	353.24276	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"640180"	507.37856	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1144416"	199.10696	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"184061"	177.125018	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"626174"	254.192918	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1127123"	100.057118	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1411380"	67.040504	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1443859"	201.148546	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"231365"	182.15804	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1520520"	215.20059	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"420209"	185.111988	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"772819"	262.179888	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1672063"	108.044088	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"253843"	372.287368	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1232387"	218.151568	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1715443"	218.175093	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1179017"	74.367818	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1652515"	223.130488	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"160106"	385.19064	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"601855"	539.32644	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1098890"	231.05484	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"153030"	193.098958	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"595631"	270.166858	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1080384"	116.031058	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1112504"	233.069392	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1348885"	233.157007	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1020342"	237.196176	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1539313"	238.189808	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1005362"	119.101726	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1602331"	239.104428	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1426536"	269.135938	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1160104"	139.615001	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1711720"	286.162485	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1647487"	291.11788	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1582044"	307.09182	"C11952"	"()-Isomenthone"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"805117"	572.3349	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M"	0
"978284"	553.31651	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-H2O-H"	-19.01839
"67622"	380.549324	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M-3H"	-3.021828
"506088"	571.327624	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M-3H"	-3.021828
"882799"	189.771024	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-3H"	-3.021828
"3193"	571.327624	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M-2H"	-2.014552
"454912"	857.495074	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M-2H"	-2.014552
"829679"	285.160174	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-2H"	-2.014552
"91859"	1143.662524	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M-H"	-1.007276
"530324"	1715.997424	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M-H"	-1.007276
"901564"	571.327624	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-H"	-1.007276
"51563"	1160.689071	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M-2H+NH4"	16.019271
"490393"	1733.023971	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M-2H+NH4"	16.019271
"868564"	588.354171	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-2H+NH4"	16.019271
"43392"	1165.644466	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M-2H+Na"	20.974666
"480766"	1737.979366	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M-2H+Na"	20.974666
"860759"	593.309566	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-2H+Na"	20.974666
"1634076"	593.309566	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Na-2H"	20.974666
"106825"	589.315963	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M-H+Cl"	33.962126
"547479"	875.483413	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M-H+Cl"	33.962126
"938806"	303.148513	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-H+Cl"	33.962126
"276269"	1179.639202	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+Cl"	34.969402
"670875"	1751.974102	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+Cl"	34.969402
"1281836"	607.304302	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Cl"	34.969402
"30470"	1181.618406	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M-2H+K"	36.948606
"471008"	1753.953306	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M-2H+K"	36.948606
"847836"	609.283506	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-2H+K"	36.948606
"1567435"	609.283506	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+K-2H"	36.948606
"957140"	617.333094	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-H+HCOOH"	44.998194
"372806"	1189.668001	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+HCOOH-H"	44.998201
"358509"	1203.683651	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+Hac-H"	59.013851
"1505155"	631.348751	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Hac-H"	59.013851
"970144"	639.315051	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-H+NaCOOH"	66.980151
"121236"	607.304302	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+2Cl"	69.938804
"559335"	893.471752	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+2Cl"	69.938804
"1030322"	321.136852	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2Cl"	69.938804
"1254283"	651.253785	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Br"	78.918885
"1315272"	653.309772	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Cl+HCOOH"	80.974872
"1329852"	675.291729	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Cl+NaCOOH"	102.956829
"923827"	685.320486	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M-H+CF3COOH"	112.985586
"1294701"	721.297164	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Cl+CF3COOH"	148.962264
"1379061"	537.322224	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H-2H2O"	-35.012676
"1397655"	555.3322	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H-H2O"	-17.0027
"294060"	1145.677076	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+H"	1.007276
"688669"	1718.011976	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+H"	1.007276
"1365383"	573.342176	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H"	1.007276
"132438"	573.342176	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+2H"	2.014552
"573092"	859.509626	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+2H"	2.014552
"1041891"	287.174726	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2H"	2.014552
"211978"	382.563876	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+3H"	3.021828
"649351"	573.342176	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+3H"	3.021828
"1163462"	191.785576	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+3H"	3.021828
"426370"	1162.703623	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+NH4"	18.033823
"786999"	1735.038523	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+NH4"	18.033823
"1683330"	590.368723	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+NH4"	18.033823
"331970"	581.8554495	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+H+NH4"	19.041099
"724393"	868.0228995	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+H+NH4"	19.041099
"1484779"	295.6879995	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H+NH4"	19.041099
"399084"	1167.659018	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+Na"	22.989218
"761176"	1739.993918	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+Na"	22.989218
"1610371"	595.324118	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Na"	22.989218
"320406"	584.333147	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+H+Na"	23.996494
"722523"	870.500597	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+H+Na"	23.996494
"1476378"	298.165697	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H+Na"	23.996494
"1068166"	199.11289	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2H+Na"	25.00377
"1272408"	605.368386	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+CH3OH+H"	33.033486
"391099"	1183.632958	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+K"	38.963158
"753843"	1755.967858	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+K"	38.963158
"1555325"	611.298058	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+K"	38.963158
"311687"	592.320117	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+H+K"	39.970434
"704837"	878.487567	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+H+K"	39.970434
"1458653"	306.152667	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H+K"	39.970434
"249443"	1186.703626	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+ACN+H"	42.033826
"1212310"	614.368726	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+ACN+H"	42.033826
"1202756"	307.688001	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+ACN+2H"	43.041102
"196719"	1189.64096	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+2Na-H"	44.97116
"636280"	1761.97586	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+2Na-H"	44.97116
"1141971"	617.30606	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2Na-H"	44.97116
"180889"	595.324118	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+2Na"	45.978436
"624822"	881.491568	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+2Na"	45.978436
"1121766"	309.156668	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2Na"	45.978436
"1412945"	206.440204	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H+2Na"	46.985712
"1440687"	619.347646	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H+HCOOH"	47.012746
"228194"	600.35714	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+3H2O+2H"	56.04448
"1516256"	633.39969	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+IsoProp+H"	61.06479
"418130"	603.311088	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+Na+K"	61.952376
"778029"	889.478538	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+Na+K"	61.952376
"1668526"	317.143638	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Na+K"	61.952376
"255407"	1208.685568	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+ACN+Na"	64.015768
"1227755"	636.350668	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+ACN+Na"	64.015768
"1717012"	636.374193	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+NH4+HCOOH"	64.039293
"1182362"	213.767518	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+3Na"	68.967654
"1653354"	641.329588	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Na+HCOOH"	68.994688
"159119"	1221.58884	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+2K-H"	76.91904
"604150"	1793.92374	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+2K-H"	76.91904
"1096326"	649.25394	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2K-H"	76.91904
"153140"	611.298058	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"2M+2K"	77.926316
"593797"	897.465508	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"3M+2K"	77.926316
"1079401"	325.130608	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2K"	77.926316
"1112614"	651.268492	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2K+H"	78.933592
"1345717"	651.356107	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+DMSO+H"	79.021207
"1020207"	655.395276	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2ACN+H"	83.060376
"1533468"	656.388908	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+IsoProp+Na+H"	84.054008
"999913"	328.201276	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+2ACN+2H"	84.067652
"1601709"	657.303528	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+K+HCOOH"	84.968628
"1427011"	687.335038	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+H+CF3COOH"	115.000138
"1160945"	348.714551	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+3ACN+2H"	125.094202
"1711951"	704.361585	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+NH4+CF3COOH"	132.026685
"1646504"	709.31698	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+Na+CF3COOH"	136.98208
"1582154"	725.29092	"C11953"	"68a-Seco-68a-deoxy-5-oxoavermectin 2b aglycone"	"C33H48O8"	"572.3349"	"M+K+CF3COOH"	152.95602
"809238"	586.3142	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M"	0
"977301"	567.29581	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-H2O-H"	-19.01839
"66638"	389.868857333333	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M-3H"	-3.021828
"505105"	585.306924	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M-3H"	-3.021828
"881815"	194.430790666667	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-3H"	-3.021828
"1481"	585.306924	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M-2H"	-2.014552
"446516"	878.464024	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M-2H"	-2.014552
"819214"	292.149824	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-2H"	-2.014552
"79933"	1171.621124	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M-H"	-1.007276
"520587"	1757.935324	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M-H"	-1.007276
"895874"	585.306924	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-H"	-1.007276
"51673"	1188.647671	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M-2H+NH4"	16.019271
"487950"	1774.961871	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M-2H+NH4"	16.019271
"873415"	602.333471	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-2H+NH4"	16.019271
"43502"	1193.603066	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M-2H+Na"	20.974666
"481970"	1779.917266	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M-2H+Na"	20.974666
"863827"	607.288866	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-2H+Na"	20.974666
"1631495"	607.288866	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Na-2H"	20.974666
"104744"	603.295263	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M-H+Cl"	33.962126
"547589"	896.452363	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M-H+Cl"	33.962126
"936730"	310.138163	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-H+Cl"	33.962126
"278565"	1207.597802	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+Cl"	34.969402
"669892"	1793.912002	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+Cl"	34.969402
"1276109"	621.283602	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Cl"	34.969402
"19759"	1209.577006	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M-2H+K"	36.948606
"465519"	1795.891206	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M-2H+K"	36.948606
"848068"	623.262806	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-2H+K"	36.948606
"1570097"	623.262806	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+K-2H"	36.948606
"957616"	631.312394	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-H+HCOOH"	44.998194
"376318"	1217.626601	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+HCOOH-H"	44.998201
"360441"	1231.642251	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+Hac-H"	59.013851
"1506723"	645.328051	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Hac-H"	59.013851
"970251"	653.294351	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-H+NaCOOH"	66.980151
"120617"	621.283602	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+2Cl"	69.938804
"558352"	914.440702	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+2Cl"	69.938804
"1029338"	328.126502	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2Cl"	69.938804
"1252207"	665.233085	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Br"	78.918885
"1316475"	667.289072	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Cl+HCOOH"	80.974872
"1331055"	689.271029	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Cl+NaCOOH"	102.956829
"923208"	699.299786	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M-H+CF3COOH"	112.985586
"1298821"	735.276464	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Cl+CF3COOH"	148.962264
"1379171"	551.301524	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H-2H2O"	-35.012676
"1396307"	569.3115	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H-H2O"	-17.0027
"294170"	1173.635676	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+H"	1.007276
"686592"	1759.949876	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+H"	1.007276
"1364034"	587.321476	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H"	1.007276
"130361"	587.321476	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+2H"	2.014552
"569922"	880.478576	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+2H"	2.014552
"1042000"	294.164376	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2H"	2.014552
"209901"	391.883409333333	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+3H"	3.021828
"648367"	587.321476	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+3H"	3.021828
"1164300"	196.445342666667	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+3H"	3.021828
"425385"	1190.662223	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+NH4"	18.033823
"786378"	1776.976423	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+NH4"	18.033823
"1682346"	604.348023	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+NH4"	18.033823
"330174"	595.8347495	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+H+NH4"	19.041099
"724015"	888.9918495	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+H+NH4"	19.041099
"1477836"	302.6776495	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H+NH4"	19.041099
"394818"	1195.617618	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+Na"	22.989218
"758003"	1781.931818	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+Na"	22.989218
"1612665"	609.303418	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Na"	22.989218
"322702"	598.312447	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+H+Na"	23.996494
"722183"	891.469547	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+H+Na"	23.996494
"1476962"	305.155347	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H+Na"	23.996494
"1068235"	203.772656666667	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2H+Na"	25.00377
"1268259"	619.347686	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+CH3OH+H"	33.033486
"386835"	1211.591558	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+K"	38.963158
"752202"	1797.905758	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+K"	38.963158
"1555338"	625.277358	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+K"	38.963158
"313862"	606.299417	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+H+K"	39.970434
"706766"	899.456517	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+H+K"	39.970434
"1456574"	313.142317	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H+K"	39.970434
"246271"	1214.662226	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+ACN+H"	42.033826
"1217889"	628.348026	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+ACN+H"	42.033826
"1201771"	314.677651	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+ACN+2H"	43.041102
"197923"	1217.59956	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+2Na-H"	44.97116
"637484"	1803.91376	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+2Na-H"	44.97116
"1143174"	631.28536	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2Na-H"	44.97116
"183185"	609.303418	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+2Na"	45.978436
"623839"	902.460518	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+2Na"	45.978436
"1125156"	316.146318	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2Na"	45.978436
"1410869"	211.099970666667	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H+2Na"	46.985712
"1440797"	633.326946	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H+HCOOH"	47.012746
"226117"	614.33644	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+3H2O+2H"	56.04448
"1516366"	647.37899	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+IsoProp+H"	61.06479
"416053"	617.290388	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+Na+K"	61.952376
"778140"	910.447488	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+Na+K"	61.952376
"1667908"	324.133288	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Na+K"	61.952376
"256611"	1236.644168	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+ACN+Na"	64.015768
"1228228"	650.329968	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+ACN+Na"	64.015768
"1717119"	650.353493	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+NH4+HCOOH"	64.039293
"1181378"	218.427284666667	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+3Na"	68.967654
"1651274"	655.308888	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Na+HCOOH"	68.994688
"157885"	1249.54744	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+2K-H"	76.91904
"598301"	1835.86164	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+2K-H"	76.91904
"1096435"	663.23324	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2K-H"	76.91904
"153250"	625.277358	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"2M+2K"	77.926316
"594879"	918.434458	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"3M+2K"	77.926316
"1077324"	332.120258	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2K"	77.926316
"1108345"	665.247792	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2K+H"	78.933592
"1346920"	665.335407	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+DMSO+H"	79.021207
"1013261"	669.374576	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2ACN+H"	83.060376
"1533578"	670.368208	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+IsoProp+Na+H"	84.054008
"1001116"	335.190926	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+2ACN+2H"	84.067652
"1598899"	671.282828	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+K+HCOOH"	84.968628
"1429428"	701.314338	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+H+CF3COOH"	115.000138
"1161903"	355.704201	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+3ACN+2H"	125.094202
"1711693"	718.340885	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+NH4+CF3COOH"	132.026685
"1647707"	723.29628	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+Na+CF3COOH"	136.98208
"1582264"	739.27022	"C11954"	"5-Oxoavermectin 2b aglycone"	"C33H46O9"	"586.3142"	"M+K+CF3COOH"	152.95602
"809348"	588.3298	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M"	0
"978506"	569.31141	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-H2O-H"	-19.01839
"65657"	391.212590666667	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M-3H"	-3.021828
"504122"	587.322524	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M-3H"	-3.021828
"886302"	195.102657333333	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-3H"	-3.021828
"10"	587.322524	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M-2H"	-2.014552
"446628"	881.487424	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M-2H"	-2.014552
"823335"	293.157624	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-2H"	-2.014552
"79354"	1175.652324	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M-H"	-1.007276
"522887"	1763.982124	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M-H"	-1.007276
"897404"	587.322524	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-H"	-1.007276
"51783"	1192.678871	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M-2H+NH4"	16.019271
"488180"	1781.008671	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M-2H+NH4"	16.019271
"874618"	604.349071	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-2H+NH4"	16.019271
"42519"	1197.634266	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M-2H+Na"	20.974666
"483173"	1785.964066	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M-2H+Na"	20.974666
"863653"	609.304466	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-2H+Na"	20.974666
"1631605"	609.304466	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Na-2H"	20.974666
"108013"	605.310863	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M-H+Cl"	33.962126
"545512"	899.475763	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M-H+Cl"	33.962126
"937933"	311.145963	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-H+Cl"	33.962126
"276488"	1211.629002	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+Cl"	34.969402
"670002"	1799.958802	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+Cl"	34.969402
"1275490"	623.299202	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Cl"	34.969402
"18775"	1213.608206	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M-2H+K"	36.948606
"465629"	1801.938006	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M-2H+K"	36.948606
"840149"	625.278406	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-2H+K"	36.948606
"1570902"	625.278406	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+K-2H"	36.948606
"958377"	633.327994	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-H+HCOOH"	44.998194
"376834"	1221.657801	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+HCOOH-H"	44.998201
"359822"	1235.673451	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+Hac-H"	59.013851
"1507199"	647.343651	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Hac-H"	59.013851
"969997"	655.309951	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-H+NaCOOH"	66.980151
"118905"	623.299202	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+2Cl"	69.938804
"554817"	917.464102	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+2Cl"	69.938804
"1027262"	329.134302	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2Cl"	69.938804
"1254865"	667.248685	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Br"	78.918885
"1318407"	669.304672	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Cl+HCOOH"	80.974872
"1333356"	691.286629	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Cl+NaCOOH"	102.956829
"924414"	701.315386	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M-H+CF3COOH"	112.985586
"1298931"	737.292064	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Cl+CF3COOH"	148.962264
"1378188"	553.317124	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H-2H2O"	-35.012676
"1397147"	571.3271	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H-H2O"	-17.0027
"297561"	1177.666876	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+H"	1.007276
"689984"	1765.996676	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+H"	1.007276
"1364874"	589.337076	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H"	1.007276
"135938"	589.337076	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+2H"	2.014552
"576592"	883.501976	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+2H"	2.014552
"1043204"	295.172176	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2H"	2.014552
"211106"	393.227142666667	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+3H"	3.021828
"649572"	589.337076	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+3H"	3.021828
"1165508"	197.117209333333	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+3H"	3.021828
"425498"	1194.693423	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+NH4"	18.033823
"785758"	1783.023223	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+NH4"	18.033823
"1683917"	606.363623	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+NH4"	18.033823
"330287"	597.8503495	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+H+NH4"	19.041099
"722820"	892.0152495	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+H+NH4"	19.041099
"1478072"	303.6854495	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H+NH4"	19.041099
"394200"	1199.648818	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+Na"	22.989218
"760301"	1787.978618	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+Na"	22.989218
"1609495"	611.319018	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Na"	22.989218
"321719"	600.328047	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+H+Na"	23.996494
"722297"	894.492947	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+H+Na"	23.996494
"1476231"	306.163147	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H+Na"	23.996494
"1068101"	204.444523333333	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2H+Na"	25.00377
"1270556"	621.363286	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+CH3OH+H"	33.033486
"390953"	1215.622758	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+K"	38.963158
"752313"	1803.952558	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+K"	38.963158
"1553640"	627.292958	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+K"	38.963158
"312635"	608.315017	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+H+K"	39.970434
"706837"	902.479917	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+H+K"	39.970434
"1454497"	314.150117	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H+K"	39.970434
"248567"	1218.693426	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+ACN+H"	42.033826
"1220185"	630.363626	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+ACN+H"	42.033826
"1205161"	315.685451	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+ACN+2H"	43.041102
"201313"	1221.63076	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+2Na-H"	44.97116
"638688"	1809.96056	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+2Na-H"	44.97116
"1142191"	633.30096	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2Na-H"	44.97116
"184388"	611.319018	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+2Na"	45.978436
"625042"	905.483918	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+2Na"	45.978436
"1123079"	317.154118	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2Na"	45.978436
"1406605"	211.771837333333	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H+2Na"	46.985712
"1439814"	635.342546	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H+HCOOH"	47.012746
"228414"	616.35204	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+3H2O+2H"	56.04448
"1513196"	649.39459	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+IsoProp+H"	61.06479
"416892"	619.305988	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+Na+K"	61.952376
"777158"	913.470888	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+Na+K"	61.952376
"1671299"	325.141088	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Na+K"	61.952376
"254537"	1240.675368	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+ACN+Na"	64.015768
"1228338"	652.345568	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+ACN+Na"	64.015768
"1717229"	652.369093	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+NH4+HCOOH"	64.039293
"1181489"	219.099151333333	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+3Na"	68.967654
"1651384"	657.324488	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Na+HCOOH"	68.994688
"158361"	1253.57864	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+2K-H"	76.91904
"597802"	1841.90844	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+2K-H"	76.91904
"1098367"	665.24884	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2K-H"	76.91904
"153360"	627.292958	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"2M+2K"	77.926316
"596327"	921.457858	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"3M+2K"	77.926316
"1079620"	333.128058	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2K"	77.926316
"1111736"	667.263392	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2K+H"	78.933592
"1345937"	667.351007	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+DMSO+H"	79.021207
"1015560"	671.390176	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2ACN+H"	83.060376
"1538792"	672.383808	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+IsoProp+Na+H"	84.054008
"1001226"	336.198726	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+2ACN+2H"	84.067652
"1599011"	673.298428	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+K+HCOOH"	84.968628
"1427954"	703.329938	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+H+CF3COOH"	115.000138
"1162495"	356.712001	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+3ACN+2H"	125.094202
"1709980"	720.356485	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+NH4+CF3COOH"	132.026685
"1641256"	725.31188	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+Na+CF3COOH"	136.98208
"1582374"	741.28582	"C11955"	"Avermectin B2b aglycone"	"C33H48O9"	"588.3298"	"M+K+CF3COOH"	152.95602
"809458"	602.3455	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M"	0
"978616"	583.32711	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-H2O-H"	-19.01839
"69047"	400.556390666667	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M-3H"	-3.021828
"506419"	601.338224	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M-3H"	-3.021828
"886412"	199.774557333333	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-3H"	-3.021828
"242"	601.338224	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M-2H"	-2.014552
"451110"	902.510974	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M-2H"	-2.014552
"821258"	300.165474	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-2H"	-2.014552
"80882"	1203.683724	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M-H"	-1.007276
"520807"	1806.029224	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M-H"	-1.007276
"898607"	601.338224	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-H"	-1.007276
"50430"	1220.710271	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M-2H+NH4"	16.019271
"488649"	1823.055771	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M-2H+NH4"	16.019271
"875823"	618.364771	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-2H+NH4"	16.019271
"37162"	1225.665666	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M-2H+Na"	20.974666
"481096"	1828.011166	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M-2H+Na"	20.974666
"861091"	623.320166	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-2H+Na"	20.974666
"1632689"	623.320166	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Na-2H"	20.974666
"107882"	619.326563	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M-H+Cl"	33.962126
"537968"	920.499313	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M-H+Cl"	33.962126
"933669"	318.153813	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-H+Cl"	33.962126
"274411"	1239.660402	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+Cl"	34.969402
"663551"	1842.005902	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+Cl"	34.969402
"1273031"	637.314902	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Cl"	34.969402
"19249"	1241.639606	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M-2H+K"	36.948606
"462456"	1843.985106	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M-2H+K"	36.948606
"841352"	639.294106	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-2H+K"	36.948606
"1570195"	639.294106	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+K-2H"	36.948606
"956011"	647.343694	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-H+HCOOH"	44.998194
"376294"	1249.689201	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+HCOOH-H"	44.998201
"359203"	1263.704851	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+Hac-H"	59.013851
"1507430"	661.359351	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Hac-H"	59.013851
"965734"	669.325651	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-H+NaCOOH"	66.980151
"117920"	637.314902	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+2Cl"	69.938804
"553833"	938.487652	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+2Cl"	69.938804
"1025912"	336.142152	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2Cl"	69.938804
"1250235"	681.264385	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Br"	78.918885
"1312684"	683.320372	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Cl+HCOOH"	80.974872
"1334070"	705.302329	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Cl+NaCOOH"	102.956829
"921239"	715.331086	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M-H+CF3COOH"	112.985586
"1296854"	751.307764	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Cl+CF3COOH"	148.962264
"1373922"	567.332824	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H-2H2O"	-35.012676
"1398207"	585.3428	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H-H2O"	-17.0027
"297307"	1205.698276	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+H"	1.007276
"690459"	1808.043776	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+H"	1.007276
"1366078"	603.352776	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H"	1.007276
"136048"	603.352776	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+2H"	2.014552
"576702"	904.525526	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+2H"	2.014552
"1044407"	302.180026	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2H"	2.014552
"211216"	402.570942666667	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+3H"	3.021828
"649682"	603.352776	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+3H"	3.021828
"1166711"	201.789109333333	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+3H"	3.021828
"425608"	1222.724823	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+NH4"	18.033823
"785869"	1825.070323	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+NH4"	18.033823
"1684391"	620.379323	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+NH4"	18.033823
"330115"	611.8660495	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+H+NH4"	19.041099
"723265"	913.0387995	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+H+NH4"	19.041099
"1478303"	310.6932995	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H+NH4"	19.041099
"393946"	1227.680218	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+Na"	22.989218
"757494"	1830.025718	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+Na"	22.989218
"1609604"	625.334718	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Na"	22.989218
"320735"	614.343747	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+H+Na"	23.996494
"721188"	915.516497	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+H+Na"	23.996494
"1473548"	313.170997	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H+Na"	23.996494
"1067641"	209.116423333333	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2H+Na"	25.00377
"1271753"	635.378986	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+CH3OH+H"	33.033486
"392518"	1243.654158	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+K"	38.963158
"753273"	1845.999658	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+K"	38.963158
"1552654"	641.308658	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+K"	38.963158
"310924"	622.330717	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+H+K"	39.970434
"706135"	923.503467	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+H+K"	39.970434
"1454607"	321.157967	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H+K"	39.970434
"247583"	1246.724826	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+ACN+H"	42.033826
"1220294"	644.379326	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+ACN+H"	42.033826
"1204177"	322.693301	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+ACN+2H"	43.041102
"199966"	1249.66216	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+2Na-H"	44.97116
"636612"	1852.00766	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+2Na-H"	44.97116
"1141207"	647.31666	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2Na-H"	44.97116
"183405"	625.334718	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+2Na"	45.978436
"622966"	926.507468	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+2Na"	45.978436
"1126106"	324.161968	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2Na"	45.978436
"1403435"	216.443737333333	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H+2Na"	46.985712
"1438831"	649.358246	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H+HCOOH"	47.012746
"232899"	630.36774	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+3H2O+2H"	56.04448
"1518774"	663.41029	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+IsoProp+H"	61.06479
"416272"	633.321688	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+Na+K"	61.952376
"776175"	934.494438	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+Na+K"	61.952376
"1673596"	332.148938	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Na+K"	61.952376
"253916"	1268.706768	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+ACN+Na"	64.015768
"1228812"	666.361268	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+ACN+Na"	64.015768
"1714423"	666.384793	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+NH4+HCOOH"	64.039293
"1181233"	223.771051333333	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+3Na"	68.967654
"1650765"	671.340188	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Na+HCOOH"	68.994688
"158355"	1281.61004	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+2K-H"	76.91904
"601197"	1883.95554	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+2K-H"	76.91904
"1095561"	679.26454	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2K-H"	76.91904
"150190"	641.308658	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"2M+2K"	77.926316
"589749"	942.481408	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"3M+2K"	77.926316
"1076446"	340.135908	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2K"	77.926316
"1108565"	681.279092	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2K+H"	78.933592
"1348233"	681.366707	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+DMSO+H"	79.021207
"1016765"	685.405876	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2ACN+H"	83.060376
"1539146"	686.399508	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+IsoProp+Na+H"	84.054008
"1002432"	343.206576	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+2ACN+2H"	84.067652
"1601307"	687.314128	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+K+HCOOH"	84.968628
"1429768"	717.345638	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+H+CF3COOH"	115.000138
"1162611"	363.719851	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+3ACN+2H"	125.094202
"1710820"	734.372185	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+NH4+CF3COOH"	132.026685
"1646834"	739.32758	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+Na+CF3COOH"	136.98208
"1585764"	755.30152	"C11956"	"Avermectin A2b aglycone"	"C34H50O9"	"602.3455"	"M+K+CF3COOH"	152.95602
"807380"	732.4085	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M"	0
"983100"	713.39011	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-H2O-H"	-19.01839
"72437"	487.265057333333	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M-3H"	-3.021828
"508716"	731.401224	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M-3H"	-3.021828
"887614"	243.128890666667	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-3H"	-3.021828
"2908"	731.401224	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M-2H"	-2.014552
"453408"	1097.605474	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M-2H"	-2.014552
"821368"	365.196974	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-2H"	-2.014552
"81720"	1463.809724	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M-H"	-1.007276
"522010"	2196.218224	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M-H"	-1.007276
"901268"	731.401224	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-H"	-1.007276
"56372"	1480.836271	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M-2H+NH4"	16.019271
"490826"	2213.244771	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M-2H+NH4"	16.019271
"873746"	748.427771	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-2H+NH4"	16.019271
"39458"	1485.791666	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M-2H+Na"	20.974666
"482299"	2218.200166	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M-2H+Na"	20.974666
"861566"	753.383166	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-2H+Na"	20.974666
"1630734"	753.383166	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Na-2H"	20.974666
"107265"	749.389563	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M-H+Cl"	33.962126
"535162"	1115.593813	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M-H+Cl"	33.962126
"929404"	383.185313	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-H+Cl"	33.962126
"267277"	1499.786402	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+Cl"	34.969402
"660132"	2232.194902	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+Cl"	34.969402
"1273266"	767.377902	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Cl"	34.969402
"15751"	1501.765606	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M-2H+K"	36.948606
"460378"	2234.174106	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M-2H+K"	36.948606
"840733"	769.357106	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-2H+K"	36.948606
"1567143"	769.357106	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+K-2H"	36.948606
"953931"	777.406694	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-H+HCOOH"	44.998194
"367772"	1509.815201	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+HCOOH-H"	44.998201
"359313"	1523.830851	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+Hac-H"	59.013851
"1506688"	791.422351	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Hac-H"	59.013851
"963658"	799.388651	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-H+NaCOOH"	66.980151
"116937"	767.377902	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+2Cl"	69.938804
"556130"	1133.582152	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+2Cl"	69.938804
"1026022"	401.173652	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2Cl"	69.938804
"1250345"	811.327385	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Br"	78.918885
"1314980"	813.383372	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Cl+HCOOH"	80.974872
"1334180"	835.365329	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Cl+NaCOOH"	102.956829
"921349"	845.394086	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M-H+CF3COOH"	112.985586
"1298056"	881.370764	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Cl+CF3COOH"	148.962264
"1373303"	697.395824	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H-2H2O"	-35.012676
"1397129"	715.4058	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H-H2O"	-17.0027
"296688"	1465.824276	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+H"	1.007276
"690081"	2198.232776	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+H"	1.007276
"1364364"	733.415776	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H"	1.007276
"136158"	733.415776	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+2H"	2.014552
"576812"	1099.620026	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+2H"	2.014552
"1043424"	367.211526	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2H"	2.014552
"212419"	489.279609333333	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+3H"	3.021828
"650884"	733.415776	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+3H"	3.021828
"1170102"	245.143442666667	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+3H"	3.021828
"426812"	1482.850823	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+NH4"	18.033823
"787440"	2215.259323	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+NH4"	18.033823
"1684137"	750.442323	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+NH4"	18.033823
"332048"	741.9290495	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+H+NH4"	19.041099
"724104"	1108.1332995	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+H+NH4"	19.041099
"1480114"	375.7247995	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H+NH4"	19.041099
"395511"	1487.806218	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+Na"	22.989218
"758334"	2220.214718	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+Na"	22.989218
"1612628"	755.397718	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Na"	22.989218
"318659"	744.406747	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+H+Na"	23.996494
"721906"	1110.610997	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+H+Na"	23.996494
"1474752"	378.202497	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H+Na"	23.996494
"1066779"	252.470756666667	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2H+Na"	25.00377
"1268579"	765.441986	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+CH3OH+H"	33.033486
"390807"	1503.780158	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+K"	38.963158
"750339"	2236.188658	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+K"	38.963158
"1551295"	771.371658	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+K"	38.963158
"312851"	752.393717	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+H+K"	39.970434
"700897"	1118.597967	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+H+K"	39.970434
"1455810"	386.189467	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H+K"	39.970434
"242225"	1506.850826	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+ACN+H"	42.033826
"1218218"	774.442326	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+ACN+H"	42.033826
"1203197"	387.724801	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+ACN+2H"	43.041102
"197160"	1509.78816	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+2Na-H"	44.97116
"636722"	2242.19666	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+2Na-H"	44.97116
"1141317"	777.37966	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2Na-H"	44.97116
"183515"	755.397718	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+2Na"	45.978436
"621983"	1121.601968	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+2Na"	45.978436
"1126580"	389.193468	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2Na"	45.978436
"1405732"	259.798070666667	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H+2Na"	46.985712
"1438941"	779.421246	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H+HCOOH"	47.012746
"231916"	760.43074	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+3H2O+2H"	56.04448
"1517791"	793.47329	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+IsoProp+H"	61.06479
"412010"	763.384688	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+Na+K"	61.952376
"776284"	1129.588938	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+Na+K"	61.952376
"1671882"	397.180438	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Na+K"	61.952376
"255848"	1528.832768	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+ACN+Na"	64.015768
"1228192"	796.424268	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+ACN+Na"	64.015768
"1714288"	796.447793	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+NH4+HCOOH"	64.039293
"1180007"	267.125384666667	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+3Na"	68.967654
"1651603"	801.403188	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Na+HCOOH"	68.994688
"159558"	1541.73604	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+2K-H"	76.91904
"602401"	2274.14454	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+2K-H"	76.91904
"1095671"	809.32754	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2K-H"	76.91904
"152487"	771.371658	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"2M+2K"	77.926316
"588766"	1137.575908	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"3M+2K"	77.926316
"1077649"	405.167408	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2K"	77.926316
"1107581"	811.342092	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2K+H"	78.933592
"1349072"	811.429707	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+DMSO+H"	79.021207
"1016875"	815.468876	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2ACN+H"	83.060376
"1536095"	816.462508	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+IsoProp+Na+H"	84.054008
"1002542"	408.238076	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+2ACN+2H"	84.067652
"1599230"	817.377128	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+K+HCOOH"	84.968628
"1428906"	847.408638	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+H+CF3COOH"	115.000138
"1162696"	428.751351	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+3ACN+2H"	125.094202
"1711659"	864.435185	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+NH4+CF3COOH"	132.026685
"1649131"	869.39058	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+Na+CF3COOH"	136.98208
"1585874"	885.36452	"C11957"	"Avermectin B2b monosaccharide"	"C40H60O12"	"732.4085"	"M+K+CF3COOH"	152.95602
"803117"	746.4241	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M"	0
"979930"	727.40571	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-H2O-H"	-19.01839
"72547"	496.608790666667	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M-3H"	-3.021828
"508826"	745.416824	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M-3H"	-3.021828
"887724"	247.800757333333	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-3H"	-3.021828
"5205"	745.416824	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H"	-2.014552
"452422"	1118.628874	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H"	-2.014552
"824758"	372.204774	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-2H"	-2.014552
"80736"	1491.840924	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M-H"	-1.007276
"519570"	2238.265024	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M-H"	-1.007276
"899192"	745.416824	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-H"	-1.007276
"53202"	1508.867471	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H+NH4"	16.019271
"488628"	2255.291571	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H+NH4"	16.019271
"874948"	762.443371	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-2H+NH4"	16.019271
"39568"	1513.822866	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H+Na"	20.974666
"483502"	2260.246966	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H+Na"	20.974666
"862769"	767.398766	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-2H+Na"	20.974666
"1631573"	767.398766	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Na-2H"	20.974666
"108106"	763.405163	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M-H+Cl"	33.962126
"538189"	1136.617213	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M-H+Cl"	33.962126
"933889"	390.193113	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-H+Cl"	33.962126
"270258"	1527.817602	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+Cl"	34.969402
"664865"	2274.241702	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+Cl"	34.969402
"1277267"	781.393502	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl"	34.969402
"22012"	1529.796806	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H+K"	36.948606
"462310"	2276.220906	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H+K"	36.948606
"842665"	783.372706	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-2H+K"	36.948606
"1563971"	783.372706	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+K-2H"	36.948606
"951854"	791.422294	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-H+HCOOH"	44.998194
"366423"	1537.846401	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+HCOOH-H"	44.998201
"352864"	1551.862051	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+Hac-H"	59.013851
"1500602"	805.437951	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Hac-H"	59.013851
"963401"	813.404251	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-H+NaCOOH"	66.980151
"114493"	781.393502	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+2Cl"	69.938804
"554052"	1154.605552	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+2Cl"	69.938804
"1026864"	408.181452	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2Cl"	69.938804
"1253735"	825.342985	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Br"	78.918885
"1316184"	827.398972	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl+HCOOH"	80.974872
"1333681"	849.380929	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl+NaCOOH"	102.956829
"921458"	859.409686	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M-H+CF3COOH"	112.985586
"1295979"	895.386364	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl+CF3COOH"	148.962264
"1375236"	711.411424	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H-2H2O"	-35.012676
"1395897"	729.4214	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H-H2O"	-17.0027
"294610"	1493.855476	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+H"	1.007276
"685938"	2240.279576	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+H"	1.007276
"1357912"	747.431376	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H"	1.007276
"137362"	747.431376	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+2H"	2.014552
"579109"	1120.643426	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+2H"	2.014552
"1045721"	374.219326	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2H"	2.014552
"211436"	498.623342666667	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+3H"	3.021828
"650995"	747.431376	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+3H"	3.021828
"1171304"	249.815309333333	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+3H"	3.021828
"428015"	1510.882023	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+NH4"	18.033823
"786818"	2257.306123	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+NH4"	18.033823
"1682295"	764.457923	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+NH4"	18.033823
"333248"	755.9446495	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+H+NH4"	19.041099
"724212"	1129.1566995	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+H+NH4"	19.041099
"1477668"	382.7325995	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H+NH4"	19.041099
"395256"	1515.837418	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+Na"	22.989218
"759537"	2262.261518	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+Na"	22.989218
"1607635"	769.413318	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Na"	22.989218
"324236"	758.422347	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+H+Na"	23.996494
"721655"	1131.634397	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+H+Na"	23.996494
"1475836"	385.210297	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H+Na"	23.996494
"1068466"	257.142623333333	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2H+Na"	25.00377
"1271607"	779.457586	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+CH3OH+H"	33.033486
"391642"	1531.811358	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+K"	38.963158
"751543"	2278.235458	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+K"	38.963158
"1554686"	785.387258	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+K"	38.963158
"313330"	766.409317	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+H+K"	39.970434
"706355"	1139.621367	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+H+K"	39.970434
"1458108"	393.197267	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H+K"	39.970434
"243427"	1534.882026	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+ACN+H"	42.033826
"1223795"	788.457926	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+ACN+H"	42.033826
"1205493"	394.732601	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+ACN+2H"	43.041102
"200549"	1537.81936	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+2Na-H"	44.97116
"640841"	2284.24346	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+2Na-H"	44.97116
"1144707"	791.39526	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2Na-H"	44.97116
"182535"	769.413318	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+2Na"	45.978436
"625009"	1142.625368	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+2Na"	45.978436
"1128877"	396.201268	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2Na"	45.978436
"1408032"	264.469937333333	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H+2Na"	46.985712
"1440147"	793.436846	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H+HCOOH"	47.012746
"228748"	774.44634	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+3H2O+2H"	56.04448
"1516809"	807.48889	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+IsoProp+H"	61.06479
"414308"	777.400288	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+Na+K"	61.952376
"772022"	1150.612338	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+Na+K"	61.952376
"1671630"	404.188238	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Na+K"	61.952376
"253772"	1556.863968	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+ACN+Na"	64.015768
"1229037"	810.439868	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+ACN+Na"	64.015768
"1712862"	810.463393	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+NH4+HCOOH"	64.039293
"1180362"	271.797251333333	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+3Na"	68.967654
"1652808"	815.418788	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Na+HCOOH"	68.994688
"159667"	1569.76724	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+2K-H"	76.91904
"597647"	2316.19134	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+2K-H"	76.91904
"1096875"	823.34314	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2K-H"	76.91904
"151504"	785.387258	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"2M+2K"	77.926316
"586688"	1158.599308	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"3M+2K"	77.926316
"1074480"	412.175208	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2K"	77.926316
"1106593"	825.357692	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2K+H"	78.933592
"1350643"	825.445307	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+DMSO+H"	79.021207
"1019171"	829.484476	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2ACN+H"	83.060376
"1538878"	830.478108	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+IsoProp+Na+H"	84.054008
"1002651"	415.245876	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+2ACN+2H"	84.067652
"1598247"	831.392728	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+K+HCOOH"	84.968628
"1429016"	861.424238	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+H+CF3COOH"	115.000138
"1161126"	435.759151	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+3ACN+2H"	125.094202
"1707028"	878.450785	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+NH4+CF3COOH"	132.026685
"1644865"	883.40618	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+Na+CF3COOH"	136.98208
"1585984"	899.38012	"C11958"	"Avermectin A2b monosaccharide"	"C41H62O12"	"746.4241"	"M+K+CF3COOH"	152.95602
"803227"	876.4871	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M"	0
"974571"	857.46871	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-H2O-H"	-19.01839
"70470"	583.317457333333	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M-3H"	-3.021828
"507842"	875.479824	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M-3H"	-3.021828
"887834"	291.155090666667	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-3H"	-3.021828
"5315"	875.479824	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M-2H"	-2.014552
"450346"	1313.723374	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M-2H"	-2.014552
"820494"	437.236274	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-2H"	-2.014552
"78575"	1751.966924	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M-H"	-1.007276
"519072"	2628.454024	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M-H"	-1.007276
"897480"	875.479824	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-H"	-1.007276
"51489"	1768.993471	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M-2H+NH4"	16.019271
"487646"	2645.480571	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M-2H+NH4"	16.019271
"875058"	892.506371	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-2H+NH4"	16.019271
"42957"	1773.948866	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M-2H+Na"	20.974666
"483611"	2650.435966	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M-2H+Na"	20.974666
"862150"	897.461766	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-2H+Na"	20.974666
"1629860"	897.461766	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Na-2H"	20.974666
"108580"	893.468163	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M-H+Cl"	33.962126
"542670"	1331.711713	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M-H+Cl"	33.962126
"935091"	455.224613	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-H+Cl"	33.962126
"272554"	1787.943602	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+Cl"	34.969402
"662788"	2664.430702	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+Cl"	34.969402
"1276284"	911.456502	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Cl"	34.969402
"17749"	1789.922806	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M-2H+K"	36.948606
"464242"	2666.409906	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M-2H+K"	36.948606
"842045"	913.435706	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-2H+K"	36.948606
"1566267"	913.435706	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+K-2H"	36.948606
"953788"	921.485294	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-H+HCOOH"	44.998194
"369085"	1797.972401	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+HCOOH-H"	44.998201
"354067"	1811.988051	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+Hac-H"	59.013851
"1501806"	935.500951	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Hac-H"	59.013851
"963876"	943.467251	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-H+NaCOOH"	66.980151
"115697"	911.456502	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+2Cl"	69.938804
"555255"	1349.700052	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+2Cl"	69.938804
"1027703"	473.212952	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2Cl"	69.938804
"1250563"	955.405985	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Br"	78.918885
"1317387"	957.461972	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Cl+HCOOH"	80.974872
"1330511"	979.443929	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Cl+NaCOOH"	102.956829
"918288"	989.472686	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M-H+CF3COOH"	112.985586
"1297182"	1025.449364	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Cl+CF3COOH"	148.962264
"1375346"	841.474424	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H-2H2O"	-35.012676
"1397218"	859.4844	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H-H2O"	-17.0027
"292533"	1753.981476	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+H"	1.007276
"687141"	2630.468576	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+H"	1.007276
"1361301"	877.494376	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H"	1.007276
"137471"	877.494376	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+2H"	2.014552
"572655"	1315.737926	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+2H"	2.014552
"1048015"	439.250826	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2H"	2.014552
"210449"	585.332009333333	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+3H"	3.021828
"647822"	877.494376	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+3H"	3.021828
"1170321"	293.169642666667	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+3H"	3.021828
"429218"	1771.008023	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+NH4"	18.033823
"785916"	2647.495123	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+NH4"	18.033823
"1682163"	894.520923	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+NH4"	18.033823
"331536"	886.0076495	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+H+NH4"	19.041099
"724687"	1324.2511995	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+H+NH4"	19.041099
"1477293"	447.7640995	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H+NH4"	19.041099
"393543"	1775.963418	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+Na"	22.989218
"756367"	2652.450518	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+Na"	22.989218
"1606652"	899.476318	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Na"	22.989218
"324346"	888.485347	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+H+Na"	23.996494
"722370"	1326.728897	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+H+Na"	23.996494
"1474611"	450.241797	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H+Na"	23.996494
"1067492"	300.496956666667	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2H+Na"	25.00377
"1271960"	909.520586	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+CH3OH+H"	33.033486
"391388"	1791.937358	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+K"	38.963158
"753476"	2668.424458	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+K"	38.963158
"1554796"	915.450258	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+K"	38.963158
"312706"	896.472317	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+H+K"	39.970434
"705857"	1334.715867	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+H+K"	39.970434
"1456032"	458.228767	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H+K"	39.970434
"242444"	1795.008026	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+ACN+H"	42.033826
"1223541"	918.520926	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+ACN+H"	42.033826
"1205601"	459.764101	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+ACN+2H"	43.041102
"201389"	1797.94536	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+2Na-H"	44.97116
"640586"	2674.43246	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+2Na-H"	44.97116
"1144453"	921.45826	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2Na-H"	44.97116
"183738"	899.476318	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+2Na"	45.978436
"624390"	1337.719868	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+2Na"	45.978436
"1127894"	461.232768	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2Na"	45.978436
"1409232"	307.824270666667	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H+2Na"	46.985712
"1441349"	923.499846	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H+HCOOH"	47.012746
"229951"	904.50934	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+3H2O+2H"	56.04448
"1518012"	937.55189	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+IsoProp+H"	61.06479
"411864"	907.463288	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+Na+K"	61.952376
"774319"	1345.706838	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+Na+K"	61.952376
"1669554"	469.219738	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Na+K"	61.952376
"252424"	1816.989968	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+ACN+Na"	64.015768
"1227688"	940.502868	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+ACN+Na"	64.015768
"1713296"	940.526393	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+NH4+HCOOH"	64.039293
"1178769"	315.151584666667	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+3Na"	68.967654
"1651824"	945.481788	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Na+HCOOH"	68.994688
"158804"	1829.89324	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+2K-H"	76.91904
"598244"	2706.38034	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+2K-H"	76.91904
"1099171"	953.40614	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2K-H"	76.91904
"152707"	915.450258	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"2M+2K"	77.926316
"586798"	1353.693808	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"3M+2K"	77.926316
"1074590"	477.206708	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2K"	77.926316
"1105610"	955.420692	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2K+H"	78.933592
"1350628"	955.508307	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+DMSO+H"	79.021207
"1019160"	959.547476	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2ACN+H"	83.060376
"1538137"	960.541108	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+IsoProp+Na+H"	84.054008
"1002761"	480.277376	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+2ACN+2H"	84.067652
"1595075"	961.455728	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+K+HCOOH"	84.968628
"1429614"	991.487238	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+H+CF3COOH"	115.000138
"1161235"	500.790651	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+3ACN+2H"	125.094202
"1707138"	1008.513785	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+NH4+CF3COOH"	132.026685
"1641695"	1013.46918	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+Na+CF3COOH"	136.98208
"1586094"	1029.44312	"C11959"	"Avermectin B2b"	"C47H72O15"	"876.4871"	"M+K+CF3COOH"	152.95602
"804430"	890.5028	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M"	0
"977961"	871.48441	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-H2O-H"	-19.01839
"69487"	592.661257333333	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M-3H"	-3.021828
"507952"	889.495524	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M-3H"	-3.021828
"887944"	295.826990666667	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-3H"	-3.021828
"5425"	889.495524	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M-2H"	-2.014552
"449363"	1334.746924	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M-2H"	-2.014552
"818416"	444.244124	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-2H"	-2.014552
"78893"	1779.998324	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M-H"	-1.007276
"518938"	2670.501124	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M-H"	-1.007276
"896861"	889.495524	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-H"	-1.007276
"52329"	1797.024871	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M-2H+NH4"	16.019271
"490064"	2687.527671	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M-2H+NH4"	16.019271
"878325"	906.522071	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-2H+NH4"	16.019271
"39787"	1801.980266	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M-2H+Na"	20.974666
"480441"	2692.483066	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M-2H+Na"	20.974666
"861532"	911.477466	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-2H+Na"	20.974666
"1628876"	911.477466	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Na-2H"	20.974666
"108325"	907.483863	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M-H+Cl"	33.962126
"542780"	1352.735263	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M-H+Cl"	33.962126
"933015"	462.232463	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-H+Cl"	33.962126
"271571"	1815.975002	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+Cl"	34.969402
"662898"	2706.477802	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+Cl"	34.969402
"1276394"	925.472202	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Cl"	34.969402
"17859"	1817.954206	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M-2H+K"	36.948606
"462895"	2708.457006	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M-2H+K"	36.948606
"841791"	927.451406	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-2H+K"	36.948606
"1566377"	927.451406	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+K-2H"	36.948606
"954990"	935.500994	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-H+HCOOH"	44.998194
"364820"	1826.003801	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+HCOOH-H"	44.998201
"355265"	1840.019451	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+Hac-H"	59.013851
"1500823"	949.516651	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Hac-H"	59.013851
"963985"	957.482951	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-H+NaCOOH"	66.980151
"113255"	925.472202	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+2Cl"	69.938804
"552449"	1370.723602	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+2Cl"	69.938804
"1027813"	480.220802	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2Cl"	69.938804
"1248487"	969.421685	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Br"	78.918885
"1316040"	971.477672	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Cl+HCOOH"	80.974872
"1327342"	993.459629	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Cl+NaCOOH"	102.956829
"921678"	1003.488386	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M-H+CF3COOH"	112.985586
"1297292"	1039.465064	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Cl+CF3COOH"	148.962264
"1375456"	855.490124	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H-2H2O"	-35.012676
"1397086"	873.5001	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H-H2O"	-17.0027
"291550"	1782.012876	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+H"	1.007276
"685065"	2672.515676	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+H"	1.007276
"1358132"	891.510076	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H"	1.007276
"137581"	891.510076	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+2H"	2.014552
"570578"	1336.761476	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+2H"	2.014552
"1038284"	446.258676	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2H"	2.014552
"206184"	594.675809333333	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+3H"	3.021828
"644478"	891.510076	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+3H"	3.021828
"1163260"	297.841542666667	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+3H"	3.021828
"429328"	1799.039423	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+NH4"	18.033823
"785738"	2689.542223	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+NH4"	18.033823
"1681582"	908.536623	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+NH4"	18.033823
"330306"	900.0233495	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+H+NH4"	19.041099
"723132"	1345.2747495	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+H+NH4"	19.041099
"1477192"	454.7719495	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H+NH4"	19.041099
"393163"	1803.994818	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+Na"	22.989218
"755505"	2694.497618	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+Na"	22.989218
"1606762"	913.492018	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Na"	22.989218
"324457"	902.501047	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+H+Na"	23.996494
"721993"	1347.752447	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+H+Na"	23.996494
"1475449"	457.249647	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H+Na"	23.996494
"1067842"	305.168856666667	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2H+Na"	25.00377
"1271098"	923.536286	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+CH3OH+H"	33.033486
"391861"	1819.968758	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+K"	38.963158
"753950"	2710.471558	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+K"	38.963158
"1554542"	929.465958	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+K"	38.963158
"313180"	910.488017	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+H+K"	39.970434
"704874"	1355.739417	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+H+K"	39.970434
"1456139"	465.236617	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H+K"	39.970434
"242554"	1823.039426	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+ACN+H"	42.033826
"1222923"	932.536626	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+ACN+H"	42.033826
"1206441"	466.771951	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+ACN+2H"	43.041102
"199679"	1825.97676	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+2Na-H"	44.97116
"641061"	2716.47956	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+2Na-H"	44.97116
"1143835"	935.47396	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2Na-H"	44.97116
"183847"	913.492018	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+2Na"	45.978436
"624501"	1358.743418	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+2Na"	45.978436
"1128734"	468.240618	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2Na"	45.978436
"1408249"	312.496170666667	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H+2Na"	46.985712
"1440003"	937.515546	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H+HCOOH"	47.012746
"228967"	918.52504	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+3H2O+2H"	56.04448
"1518122"	951.56759	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+IsoProp+H"	61.06479
"413432"	921.478988	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+Na+K"	61.952376
"773699"	1366.730388	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+Na+K"	61.952376
"1669663"	476.227588	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Na+K"	61.952376
"253624"	1845.021368	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+ACN+Na"	64.015768
"1226454"	954.518568	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+ACN+Na"	64.015768
"1714500"	954.542093	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+NH4+HCOOH"	64.039293
"1178671"	319.823484666667	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+3Na"	68.967654
"1651570"	959.497488	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Na+HCOOH"	68.994688
"159158"	1857.92464	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+2K-H"	76.91904
"597747"	2748.42744	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+2K-H"	76.91904
"1096000"	967.42184	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2K-H"	76.91904
"152817"	929.465958	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"2M+2K"	77.926316
"586908"	1374.717358	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"3M+2K"	77.926316
"1074700"	484.214558	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2K"	77.926316
"1104627"	969.436392	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2K+H"	78.933592
"1351228"	969.524007	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+DMSO+H"	79.021207
"1018298"	973.563176	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2ACN+H"	83.060376
"1537517"	974.556808	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+IsoProp+Na+H"	84.054008
"999591"	487.285226	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+2ACN+2H"	84.067652
"1595185"	975.471428	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+K+HCOOH"	84.968628
"1429236"	1005.502938	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+H+CF3COOH"	115.000138
"1161952"	507.798501	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+3ACN+2H"	125.094202
"1703968"	1022.529485	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+NH4+CF3COOH"	132.026685
"1645085"	1027.48488	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+Na+CF3COOH"	136.98208
"1586204"	1043.45882	"C11960"	"Avermectin A2b"	"C48H74O15"	"890.5028"	"M+K+CF3COOH"	152.95602
"813289"	554.3244	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M"	0
"986822"	535.30601	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-H2O-H"	-19.01839
"72879"	368.542324	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M-3H"	-3.021828
"515719"	553.317124	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M-3H"	-3.021828
"888054"	183.767524	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-3H"	-3.021828
"5535"	553.317124	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M-2H"	-2.014552
"451659"	830.479324	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M-2H"	-2.014552
"820714"	276.154924	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-2H"	-2.014552
"79611"	1107.641524	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M-H"	-1.007276
"519654"	1661.965924	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M-H"	-1.007276
"898430"	553.317124	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-H"	-1.007276
"57906"	1124.668071	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M-2H+NH4"	16.019271
"488351"	1678.992471	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M-2H+NH4"	16.019271
"878192"	570.343671	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-2H+NH4"	16.019271
"39897"	1129.623466	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M-2H+Na"	20.974666
"480551"	1683.947866	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M-2H+Na"	20.974666
"860549"	575.299066	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-2H+Na"	20.974666
"1628986"	575.299066	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Na-2H"	20.974666
"106614"	571.305463	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M-H+Cl"	33.962126
"540704"	848.467663	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M-H+Cl"	33.962126
"935312"	294.143263	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-H+Cl"	33.962126
"271681"	1143.618202	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+Cl"	34.969402
"663008"	1697.942602	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+Cl"	34.969402
"1276504"	589.293802	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Cl"	34.969402
"20156"	1145.597406	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M-2H+K"	36.948606
"468473"	1699.921806	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M-2H+K"	36.948606
"840808"	591.273006	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-2H+K"	36.948606
"1566487"	591.273006	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+K-2H"	36.948606
"951089"	599.322594	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-H+HCOOH"	44.998194
"364930"	1153.647001	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+HCOOH-H"	44.998201
"346627"	1167.662651	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+Hac-H"	59.013851
"1498740"	613.338251	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Hac-H"	59.013851
"963002"	621.304551	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-H+NaCOOH"	66.980151
"117378"	589.293802	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+2Cl"	69.938804
"553291"	866.456002	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+2Cl"	69.938804
"1027923"	312.131602	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2Cl"	69.938804
"1248597"	633.243285	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Br"	78.918885
"1316514"	635.299272	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Cl+HCOOH"	80.974872
"1328545"	657.281229	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Cl+NaCOOH"	102.956829
"921788"	667.309986	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M-H+CF3COOH"	112.985586
"1298495"	703.286664	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Cl+CF3COOH"	148.962264
"1375566"	519.311724	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H-2H2O"	-35.012676
"1396345"	537.3217	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H-H2O"	-17.0027
"291660"	1109.656076	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+H"	1.007276
"685175"	1663.980476	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+H"	1.007276
"1358242"	555.331676	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H"	1.007276
"134411"	555.331676	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+2H"	2.014552
"571783"	832.493876	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+2H"	2.014552
"1039487"	278.169476	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2H"	2.014552
"205076"	370.556876	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+3H"	3.021828
"644508"	555.331676	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+3H"	3.021828
"1163002"	185.782076	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+3H"	3.021828
"426158"	1126.682623	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+NH4"	18.033823
"786297"	1681.007023	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+NH4"	18.033823
"1681897"	572.358223	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+NH4"	18.033823
"330660"	563.8449495	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+H+NH4"	19.041099
"723081"	841.0071495	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+H+NH4"	19.041099
"1478121"	286.6827495	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H+NH4"	19.041099
"393273"	1131.638018	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+Na"	22.989218
"756588"	1685.962418	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+Na"	22.989218
"1605779"	577.313618	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Na"	22.989218
"326388"	566.322647	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+H+Na"	23.996494
"721861"	843.484847	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+H+Na"	23.996494
"1475680"	289.160447	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H+Na"	23.996494
"1066981"	193.10939	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2H+Na"	25.00377
"1271576"	587.357886	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+CH3OH+H"	33.033486
"391975"	1147.611958	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+K"	38.963158
"752725"	1701.936358	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+K"	38.963158
"1553196"	593.287558	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+K"	38.963158
"311104"	574.309617	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+H+K"	39.970434
"703160"	851.471817	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+H+K"	39.970434
"1456249"	297.147417	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H+K"	39.970434
"242664"	1150.682626	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+ACN+H"	42.033826
"1220479"	596.358226	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+ACN+H"	42.033826
"1202541"	298.682751	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+ACN+2H"	43.041102
"199059"	1153.61996	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+2Na-H"	44.97116
"639347"	1707.94436	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+2Na-H"	44.97116
"1142488"	599.29556	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2Na-H"	44.97116
"182865"	577.313618	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+2Na"	45.978436
"623518"	854.475818	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+2Na"	45.978436
"1127388"	300.151418	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2Na"	45.978436
"1408360"	200.436704	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H+2Na"	46.985712
"1440476"	601.337146	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H+HCOOH"	47.012746
"230170"	582.34664	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+3H2O+2H"	56.04448
"1518232"	615.38919	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+IsoProp+H"	61.06479
"414636"	585.300588	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+Na+K"	61.952376
"773445"	862.462788	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+Na+K"	61.952376
"1669773"	308.138388	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Na+K"	61.952376
"252279"	1172.664568	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+ACN+Na"	64.015768
"1225757"	618.340168	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+ACN+Na"	64.015768
"1712984"	618.363693	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+NH4+HCOOH"	64.039293
"1178662"	207.764018	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+3Na"	68.967654
"1652774"	623.319088	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Na+HCOOH"	68.994688
"158904"	1185.56784	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+2K-H"	76.91904
"597855"	1739.89224	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+2K-H"	76.91904
"1093923"	631.24344	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2K-H"	76.91904
"152927"	593.287558	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"2M+2K"	77.926316
"587018"	870.449758	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"3M+2K"	77.926316
"1074810"	316.125358	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2K"	77.926316
"1104737"	633.257992	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2K+H"	78.933592
"1344407"	633.345607	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+DMSO+H"	79.021207
"1017311"	637.384776	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2ACN+H"	83.060376
"1538354"	638.378408	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+IsoProp+Na+H"	84.054008
"998604"	319.196026	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+2ACN+2H"	84.067652
"1597482"	639.293028	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+K+HCOOH"	84.968628
"1429347"	669.324538	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+H+CF3COOH"	115.000138
"1159632"	339.709301	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+3ACN+2H"	125.094202
"1707359"	686.351085	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+NH4+CF3COOH"	132.026685
"1649086"	691.30648	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+Na+CF3COOH"	136.98208
"1586314"	707.28042	"C11961"	"68a-Seco-68a-deoxy-5-oxoavermectin 1b aglycone"	"C33H46O7"	"554.3244"	"M+K+CF3COOH"	152.95602
"813399"	568.3036	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M"	0
"983652"	549.28521	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-H2O-H"	-19.01839
"75176"	377.861790666667	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M-3H"	-3.021828
"515829"	567.296324	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M-3H"	-3.021828
"891444"	188.427257333333	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-3H"	-3.021828
"5645"	567.296324	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M-2H"	-2.014552
"453834"	851.448124	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M-2H"	-2.014552
"820824"	283.144524	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-2H"	-2.014552
"81542"	1135.599924	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M-H"	-1.007276
"521465"	1703.903524	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M-H"	-1.007276
"900361"	567.296324	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-H"	-1.007276
"56922"	1152.626471	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M-2H+NH4"	16.019271
"490284"	1720.930071	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M-2H+NH4"	16.019271
"875386"	584.322871	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-2H+NH4"	16.019271
"45839"	1157.581866	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M-2H+Na"	20.974666
"486129"	1725.885466	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M-2H+Na"	20.974666
"856283"	589.278266	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-2H+Na"	20.974666
"1630555"	589.278266	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Na-2H"	20.974666
"106357"	585.284663	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M-H+Cl"	33.962126
"540813"	869.436463	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M-H+Cl"	33.962126
"937609"	301.132863	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-H+Cl"	33.962126
"277258"	1171.576602	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+Cl"	34.969402
"664211"	1739.880202	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+Cl"	34.969402
"1275521"	603.273002	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Cl"	34.969402
"17351"	1173.555806	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M-2H+K"	36.948606
"457637"	1741.859406	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M-2H+K"	36.948606
"844198"	605.252206	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-2H+K"	36.948606
"1561127"	605.252206	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+K-2H"	36.948606
"953385"	613.301794	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-H+HCOOH"	44.998194
"363947"	1181.605401	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+HCOOH-H"	44.998201
"349282"	1195.621051	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+Hac-H"	59.013851
"1499945"	627.317451	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Hac-H"	59.013851
"960926"	635.283751	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-H+NaCOOH"	66.980151
"115301"	603.273002	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+2Cl"	69.938804
"555955"	887.424802	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+2Cl"	69.938804
"1026941"	319.121202	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2Cl"	69.938804
"1246520"	647.222485	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Br"	78.918885
"1315530"	649.278472	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Cl+HCOOH"	80.974872
"1326467"	671.260429	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Cl+NaCOOH"	102.956829
"919713"	681.289186	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M-H+CF3COOH"	112.985586
"1297513"	717.265864	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Cl+CF3COOH"	148.962264
"1377862"	533.290924	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H-2H2O"	-35.012676
"1390988"	551.3009	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H-H2O"	-17.0027
"286302"	1137.614476	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+H"	1.007276
"682004"	1705.918076	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+H"	1.007276
"1357258"	569.310876	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H"	1.007276
"128079"	569.310876	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+2H"	2.014552
"572985"	853.462676	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+2H"	2.014552
"1037203"	285.159076	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2H"	2.014552
"204491"	379.876342666667	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+3H"	3.021828
"644982"	569.310876	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+3H"	3.021828
"1164085"	190.441809333333	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+3H"	3.021828
"426257"	1154.641023	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+NH4"	18.033823
"787009"	1722.944623	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+NH4"	18.033823
"1682855"	586.337423	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+NH4"	18.033823
"331136"	577.8241495	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+H+NH4"	19.041099
"724649"	861.9759495	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+H+NH4"	19.041099
"1480660"	293.6723495	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H+NH4"	19.041099
"394235"	1159.596418	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+Na"	22.989218
"754864"	1727.900018	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+Na"	22.989218
"1604308"	591.292818	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Na"	22.989218
"328686"	580.301847	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+H+Na"	23.996494
"720641"	864.453647	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+H+Na"	23.996494
"1475672"	296.150047	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H+Na"	23.996494
"1066849"	197.769123333333	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2H+Na"	25.00377
"1271567"	601.337086	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+CH3OH+H"	33.033486
"389896"	1175.570358	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+K"	38.963158
"753328"	1743.873958	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+K"	38.963158
"1555092"	607.266758	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+K"	38.963158
"313281"	588.288817	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+H+K"	39.970434
"706431"	872.440617	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+H+K"	39.970434
"1459644"	304.137017	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H+K"	39.970434
"247149"	1178.641026	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+ACN+H"	42.033826
"1223509"	610.337426	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+ACN+H"	42.033826
"1208365"	305.672351	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+ACN+2H"	43.041102
"201721"	1181.57836	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+2Na-H"	44.97116
"640188"	1749.88196	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+2Na-H"	44.97116
"1144423"	613.27476	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2Na-H"	44.97116
"182611"	591.292818	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+2Na"	45.978436
"626915"	875.444618	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+2Na"	45.978436
"1128957"	307.141018	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2Na"	45.978436
"1410657"	205.096437333333	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H+2Na"	46.985712
"1443137"	615.316346	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H+HCOOH"	47.012746
"232103"	596.32584	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+3H2O+2H"	56.04448
"1519435"	629.36839	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+IsoProp+H"	61.06479
"413652"	599.279788	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+Na+K"	61.952376
"773553"	883.431588	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+Na+K"	61.952376
"1668423"	315.127988	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Na+K"	61.952376
"252754"	1200.622968	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+ACN+Na"	64.015768
"1226558"	632.319368	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+ACN+Na"	64.015768
"1716179"	632.342893	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+NH4+HCOOH"	64.039293
"1179708"	212.423751333333	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+3Na"	68.967654
"1652159"	637.298288	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Na+HCOOH"	68.994688
"157921"	1213.52624	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+2K-H"	76.91904
"597479"	1781.82984	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+2K-H"	76.91904
"1097313"	645.22264	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2K-H"	76.91904
"148662"	607.266758	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"2M+2K"	77.926316
"592594"	891.418558	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"3M+2K"	77.926316
"1078199"	323.114958	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2K"	77.926316
"1104845"	647.237192	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2K+H"	78.933592
"1343424"	647.324807	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+DMSO+H"	79.021207
"1018514"	651.363976	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2ACN+H"	83.060376
"1539196"	652.357608	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+IsoProp+Na+H"	84.054008
"1001994"	326.185626	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+2ACN+2H"	84.067652
"1598686"	653.272228	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+K+HCOOH"	84.968628
"1428605"	683.303738	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+H+CF3COOH"	115.000138
"1159378"	346.698901	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+3ACN+2H"	125.094202
"1707469"	700.330285	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+NH4+CF3COOH"	132.026685
"1645306"	705.28568	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+Na+CF3COOH"	136.98208
"1586424"	721.25962	"C11962"	"5-Oxoavermectin 1b aglycone"	"C33H44O8"	"568.3036"	"M+K+CF3COOH"	152.95602
"803668"	570.3193	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M"	0
"980482"	551.30091	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-H2O-H"	-19.01839
"75286"	379.205590666667	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M-3H"	-3.021828
"513752"	569.312024	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M-3H"	-3.021828
"881712"	189.099157333333	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-3H"	-3.021828
"3567"	569.312024	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M-2H"	-2.014552
"446410"	854.471674	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M-2H"	-2.014552
"826402"	284.152374	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-2H"	-2.014552
"80923"	1139.631324	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M-H"	-1.007276
"521575"	1709.950624	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M-H"	-1.007276
"899742"	569.312024	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-H"	-1.007276
"57032"	1156.657871	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M-2H+NH4"	16.019271
"494406"	1726.977171	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M-2H+NH4"	16.019271
"878655"	586.338571	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-2H+NH4"	16.019271
"46435"	1161.613266	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M-2H+Na"	20.974666
"486118"	1731.932566	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M-2H+Na"	20.974666
"861497"	591.293966	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-2H+Na"	20.974666
"1631393"	591.293966	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Na-2H"	20.974666
"107562"	587.300363	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M-H+Cl"	33.962126
"540927"	872.460013	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M-H+Cl"	33.962126
"927756"	302.140713	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-H+Cl"	33.962126
"272269"	1175.608002	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+Cl"	34.969402
"671977"	1745.927302	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+Cl"	34.969402
"1278912"	605.288702	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Cl"	34.969402
"16039"	1177.587206	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M-2H+K"	36.948606
"457261"	1747.906506	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M-2H+K"	36.948606
"846131"	607.267906	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-2H+K"	36.948606
"1566704"	607.267906	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+K-2H"	36.948606
"951308"	615.317494	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-H+HCOOH"	44.998194
"372805"	1185.636801	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+HCOOH-H"	44.998201
"352312"	1199.652451	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+Hac-H"	59.013851
"1502242"	629.333151	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Hac-H"	59.013851
"961036"	637.299451	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-H+NaCOOH"	66.980151
"117599"	605.288702	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+2Cl"	69.938804
"554973"	890.448352	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+2Cl"	69.938804
"1030332"	320.129052	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2Cl"	69.938804
"1248817"	649.238185	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Br"	78.918885
"1314547"	651.294172	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Cl+HCOOH"	80.974872
"1329857"	673.276129	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Cl+NaCOOH"	102.956829
"922009"	683.304886	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M-H+CF3COOH"	112.985586
"1303780"	719.281564	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Cl+CF3COOH"	148.962264
"1381253"	535.306624	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H-2H2O"	-35.012676
"1391098"	553.3166	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H-H2O"	-17.0027
"294065"	1141.645876	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+H"	1.007276
"685395"	1711.965176	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+H"	1.007276
"1357368"	571.326576	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H"	1.007276
"128068"	571.326576	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+2H"	2.014552
"566532"	856.486226	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+2H"	2.014552
"1037395"	286.166926	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2H"	2.014552
"204440"	381.220142666667	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+3H"	3.021828
"644282"	571.326576	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+3H"	3.021828
"1163466"	191.113709333333	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+3H"	3.021828
"426004"	1158.672423	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+NH4"	18.033823
"786391"	1728.991723	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+NH4"	18.033823
"1682240"	588.353123	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+NH4"	18.033823
"331367"	579.8398495	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+H+NH4"	19.041099
"724151"	864.9994995	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+H+NH4"	19.041099
"1480043"	294.6801995	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H+NH4"	19.041099
"396172"	1163.627818	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+Na"	22.989218
"756078"	1733.947118	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+Na"	22.989218
"1605269"	593.308518	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Na"	22.989218
"324787"	582.317547	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+H+Na"	23.996494
"721966"	867.477197	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+H+Na"	23.996494
"1476875"	297.157897	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H+Na"	23.996494
"1063192"	198.441023333333	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2H+Na"	25.00377
"1272162"	603.352786	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+CH3OH+H"	33.033486
"388913"	1179.601758	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+K"	38.963158
"753563"	1749.921058	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+K"	38.963158
"1554887"	609.282458	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+K"	38.963158
"313397"	590.304517	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+H+K"	39.970434
"705936"	875.464167	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+H+K"	39.970434
"1460850"	305.144867	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H+K"	39.970434
"249454"	1182.672426	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+ACN+H"	42.033826
"1221795"	612.353126	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+ACN+H"	42.033826
"1207503"	306.680201	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+ACN+2H"	43.041102
"201102"	1185.60976	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+2Na-H"	44.97116
"640299"	1755.92906	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+2Na-H"	44.97116
"1143809"	615.29046	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2Na-H"	44.97116
"183086"	593.308518	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+2Na"	45.978436
"625564"	878.468168	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+2Na"	45.978436
"1128339"	308.148868	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2Na"	45.978436
"1408582"	205.768337333333	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H+2Na"	46.985712
"1441790"	617.332046	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H+HCOOH"	47.012746
"232213"	598.34154	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+3H2O+2H"	56.04448
"1518451"	631.38409	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+IsoProp+H"	61.06479
"419230"	601.295488	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+Na+K"	61.952376
"778039"	886.455138	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+Na+K"	61.952376
"1668901"	316.135838	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Na+K"	61.952376
"254323"	1204.654368	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+ACN+Na"	64.015768
"1227398"	634.335068	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+ACN+Na"	64.015768
"1715926"	634.358593	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+NH4+HCOOH"	64.039293
"1180183"	213.095651333333	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+3Na"	68.967654
"1653359"	639.313988	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Na+HCOOH"	68.994688
"159856"	1217.55764	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+2K-H"	76.91904
"600874"	1787.87694	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+2K-H"	76.91904
"1090863"	647.23834	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2K-H"	76.91904
"147679"	609.282458	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"2M+2K"	77.926316
"589426"	894.442108	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"3M+2K"	77.926316
"1075031"	324.122808	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2K"	77.926316
"1104958"	649.252892	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2K+H"	78.933592
"1341347"	649.340507	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+DMSO+H"	79.021207
"1016437"	653.379676	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2ACN+H"	83.060376
"1537484"	654.373308	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+IsoProp+Na+H"	84.054008
"1001011"	327.193476	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+2ACN+2H"	84.067652
"1599891"	655.287928	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+K+HCOOH"	84.968628
"1428472"	685.319438	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+H+CF3COOH"	115.000138
"1160217"	347.706751	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+3ACN+2H"	125.094202
"1710497"	702.345985	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+NH4+CF3COOH"	132.026685
"1648699"	707.30138	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+Na+CF3COOH"	136.98208
"1586534"	723.27532	"C11963"	"Avermectin B1b aglycone"	"C33H46O8"	"570.3193"	"M+K+CF3COOH"	152.95602
"812527"	584.3349	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M"	0
"980592"	565.31651	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-H2O-H"	-19.01839
"73209"	388.549324	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M-3H"	-3.021828
"514958"	583.327624	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M-3H"	-3.021828
"887292"	193.771024	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-3H"	-3.021828
"10241"	583.327624	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M-2H"	-2.014552
"453084"	875.495074	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M-2H"	-2.014552
"824325"	291.160174	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-2H"	-2.014552
"81037"	1167.662524	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M-H"	-1.007276
"519011"	1751.997424	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M-H"	-1.007276
"896692"	583.327624	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-H"	-1.007276
"49486"	1184.689071	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M-2H+NH4"	16.019271
"488316"	1769.023971	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M-2H+NH4"	16.019271
"875606"	600.354171	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-2H+NH4"	16.019271
"35486"	1189.644466	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M-2H+Na"	20.974666
"485255"	1773.979366	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M-2H+Na"	20.974666
"856503"	605.309566	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-2H+Na"	20.974666
"1629315"	605.309566	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Na-2H"	20.974666
"104753"	601.315963	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M-H+Cl"	33.962126
"542128"	893.483413	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M-H+Cl"	33.962126
"933456"	309.148513	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-H+Cl"	33.962126
"271285"	1203.639202	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+Cl"	34.969402
"669900"	1787.974102	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+Cl"	34.969402
"1280117"	619.304302	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Cl"	34.969402
"16835"	1205.618406	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M-2H+K"	36.948606
"458587"	1789.953306	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M-2H+K"	36.948606
"847334"	621.283506	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-2H+K"	36.948606
"1569368"	621.283506	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+K-2H"	36.948606
"956523"	629.333094	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-H+HCOOH"	44.998194
"372915"	1213.668001	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+HCOOH-H"	44.998201
"350237"	1227.683651	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+Hac-H"	59.013851
"1502352"	643.348751	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Hac-H"	59.013851
"962239"	651.315051	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-H+NaCOOH"	66.980151
"116615"	619.304302	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+2Cl"	69.938804
"552896"	911.471752	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+2Cl"	69.938804
"1029349"	327.136852	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2Cl"	69.938804
"1247834"	663.253785	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Br"	78.918885
"1312470"	665.309772	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Cl+HCOOH"	80.974872
"1329967"	687.291729	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Cl+NaCOOH"	102.956829
"925035"	697.320486	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M-H+CF3COOH"	112.985586
"1302836"	733.297164	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Cl+CF3COOH"	148.962264
"1378082"	549.322224	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H-2H2O"	-35.012676
"1394488"	567.3322	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H-H2O"	-17.0027
"297821"	1169.677076	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+H"	1.007276
"687692"	1754.011976	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+H"	1.007276
"1357478"	585.342176	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H"	1.007276
"128178"	585.342176	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+2H"	2.014552
"566278"	877.509626	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+2H"	2.014552
"1037626"	293.174726	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2H"	2.014552
"204291"	390.563876	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+3H"	3.021828
"644510"	585.342176	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+3H"	3.021828
"1164670"	195.785576	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+3H"	3.021828
"424455"	1186.703623	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+NH4"	18.033823
"785772"	1771.038523	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+NH4"	18.033823
"1681439"	602.368723	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+NH4"	18.033823
"330422"	593.8554495	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+H+NH4"	19.041099
"727059"	886.0228995	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+H+NH4"	19.041099
"1479423"	301.6879995	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H+NH4"	19.041099
"397010"	1191.659018	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+Na"	22.989218
"755211"	1775.993918	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+Na"	22.989218
"1606108"	607.324118	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Na"	22.989218
"322709"	596.333147	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+H+Na"	23.996494
"722603"	888.500597	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+H+Na"	23.996494
"1476868"	304.165697	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H+Na"	23.996494
"1063302"	203.11289	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2H+Na"	25.00377
"1268260"	617.368386	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+CH3OH+H"	33.033486
"386836"	1207.632958	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+K"	38.963158
"754168"	1791.967858	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+K"	38.963158
"1555561"	623.298058	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+K"	38.963158
"312528"	604.320117	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+H+K"	39.970434
"706410"	896.487567	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+H+K"	39.970434
"1460596"	312.152667	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H+K"	39.970434
"250289"	1210.703626	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+ACN+H"	42.033826
"1222266"	626.368726	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+ACN+H"	42.033826
"1208342"	313.688001	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+ACN+2H"	43.041102
"201210"	1213.64096	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+2Na-H"	44.97116
"640772"	1797.97586	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+2Na-H"	44.97116
"1145010"	629.30606	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2Na-H"	44.97116
"183196"	607.324118	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+2Na"	45.978436
"626402"	899.491568	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+2Na"	45.978436
"1127356"	315.156668	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2Na"	45.978436
"1407598"	210.440204	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H+2Na"	46.985712
"1442993"	631.347646	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H+HCOOH"	47.012746
"231594"	612.35714	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+3H2O+2H"	56.04448
"1518561"	645.39969	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+IsoProp+H"	61.06479
"418247"	615.311088	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+Na+K"	61.952376
"780336"	907.478538	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+Na+K"	61.952376
"1668280"	323.143638	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Na+K"	61.952376
"255527"	1232.685568	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+ACN+Na"	64.015768
"1226778"	648.350668	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+ACN+Na"	64.015768
"1716764"	648.374193	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+NH4+HCOOH"	64.039293
"1181021"	217.767518	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+3Na"	68.967654
"1653831"	653.329588	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Na+HCOOH"	68.994688
"159238"	1245.58884	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+2K-H"	76.91904
"602077"	1829.92374	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+2K-H"	76.91904
"1088776"	661.25394	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2K-H"	76.91904
"148882"	623.298058	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"2M+2K"	77.926316
"590629"	915.465508	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"3M+2K"	77.926316
"1075140"	331.130608	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2K"	77.926316
"1108350"	663.268492	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2K+H"	78.933592
"1341457"	663.356107	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+DMSO+H"	79.021207
"1016547"	667.395276	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2ACN+H"	83.060376
"1534677"	668.388908	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+IsoProp+Na+H"	84.054008
"1001125"	334.201276	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+2ACN+2H"	84.067652
"1596719"	669.303528	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+K+HCOOH"	84.968628
"1428582"	699.335038	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+H+CF3COOH"	115.000138
"1157045"	354.714551	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+3ACN+2H"	125.094202
"1708784"	716.361585	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+NH4+CF3COOH"	132.026685
"1647715"	721.31698	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+Na+CF3COOH"	136.98208
"1586644"	737.29092	"C11964"	"Avermectin A1b aglycone"	"C34H48O8"	"584.3349"	"M+K+CF3COOH"	152.95602
"803887"	714.3979	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M"	0
"975232"	695.37951	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-H2O-H"	-19.01839
"66755"	475.257990666667	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M-3H"	-3.021828
"511786"	713.390624	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M-3H"	-3.021828
"887402"	237.125357333333	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-3H"	-3.021828
"10351"	713.390624	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M-2H"	-2.014552
"453195"	1070.589574	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M-2H"	-2.014552
"825527"	356.191674	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-2H"	-2.014552
"86615"	1427.788524	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M-H"	-1.007276
"519613"	2142.186424	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M-H"	-1.007276
"897047"	713.390624	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-H"	-1.007276
"49963"	1444.815071	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M-2H+NH4"	16.019271
"488183"	2159.212971	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M-2H+NH4"	16.019271
"872435"	730.417171	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-2H+NH4"	16.019271
"34139"	1449.770466	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M-2H+Na"	20.974666
"480990"	2164.168366	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M-2H+Na"	20.974666
"856613"	735.372566	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-2H+Na"	20.974666
"1628333"	735.372566	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Na-2H"	20.974666
"103771"	731.378963	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M-H+Cl"	33.962126
"540048"	1088.577913	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M-H+Cl"	33.962126
"933562"	374.180013	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-H+Cl"	33.962126
"275398"	1463.765202	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+Cl"	34.969402
"668917"	2178.163102	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+Cl"	34.969402
"1278040"	749.367302	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Cl"	34.969402
"15972"	1465.744406	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M-2H+K"	36.948606
"456997"	2180.142306	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M-2H+K"	36.948606
"843434"	751.346506	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-2H+K"	36.948606
"1569112"	751.346506	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+K-2H"	36.948606
"954810"	759.396094	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-H+HCOOH"	44.998194
"370838"	1473.794001	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+HCOOH-H"	44.998201
"350346"	1487.809651	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+Hac-H"	59.013851
"1503554"	773.411751	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Hac-H"	59.013851
"961619"	781.378051	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-H+NaCOOH"	66.980151
"117818"	749.367302	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+2Cl"	69.938804
"553004"	1106.566252	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+2Cl"	69.938804
"1028364"	392.168352	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2Cl"	69.938804
"1249036"	793.316785	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Br"	78.918885
"1314766"	795.372772	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Cl+HCOOH"	80.974872
"1328983"	817.354729	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Cl+NaCOOH"	102.956829
"924780"	827.383486	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M-H+CF3COOH"	112.985586
"1303675"	863.360164	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Cl+CF3COOH"	148.962264
"1381108"	679.385224	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H-2H2O"	-35.012676
"1394598"	697.3952	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H-H2O"	-17.0027
"297202"	1429.803076	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+H"	1.007276
"688895"	2144.200976	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+H"	1.007276
"1356495"	715.405176	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H"	1.007276
"129381"	715.405176	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+2H"	2.014552
"566872"	1072.604126	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+2H"	2.014552
"1037207"	358.206226	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2H"	2.014552
"204903"	477.272542666667	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+3H"	3.021828
"644622"	715.405176	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+3H"	3.021828
"1162914"	239.139909333333	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+3H"	3.021828
"424317"	1446.829623	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+NH4"	18.033823
"785802"	2161.227523	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+NH4"	18.033823
"1681488"	732.431723	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+NH4"	18.033823
"332562"	723.9184495	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+H+NH4"	19.041099
"727170"	1081.1173995	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+H+NH4"	19.041099
"1480628"	366.7194995	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H+NH4"	19.041099
"394689"	1451.785018	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+Na"	22.989218
"756295"	2166.182918	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+Na"	22.989218
"1605125"	737.387118	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Na"	22.989218
"328167"	726.396147	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+H+Na"	23.996494
"721089"	1083.595097	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+H+Na"	23.996494
"1474542"	369.197197	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H+Na"	23.996494
"1066328"	246.467223333333	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2H+Na"	25.00377
"1270194"	747.431386	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+CH3OH+H"	33.033486
"386946"	1467.758958	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+K"	38.963158
"753412"	2182.156858	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+K"	38.963158
"1554735"	753.361058	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+K"	38.963158
"311910"	734.383117	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+H+K"	39.970434
"705426"	1091.582067	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+H+K"	39.970434
"1459976"	377.184167	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H+K"	39.970434
"250280"	1470.829626	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+ACN+H"	42.033826
"1224444"	756.431726	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+ACN+H"	42.033826
"1208451"	378.719501	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+ACN+2H"	43.041102
"202780"	1473.76696	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+2Na-H"	44.97116
"642341"	2188.16486	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+2Na-H"	44.97116
"1144390"	759.36906	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2Na-H"	44.97116
"184399"	737.387118	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+2Na"	45.978436
"626877"	1094.586068	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+2Na"	45.978436
"1130381"	380.188168	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2Na"	45.978436
"1412082"	253.794537333333	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H+2Na"	46.985712
"1444197"	761.410646	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H+HCOOH"	47.012746
"232798"	742.42014	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+3H2O+2H"	56.04448
"1520858"	775.46269	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+IsoProp+H"	61.06479
"416170"	745.374088	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+Na+K"	61.952376
"782634"	1102.573038	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+Na+K"	61.952376
"1671309"	388.175138	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Na+K"	61.952376
"256005"	1492.811568	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+ACN+Na"	64.015768
"1228711"	778.413668	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+ACN+Na"	64.015768
"1718333"	778.437193	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+NH4+HCOOH"	64.039293
"1181861"	261.121851333333	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+3Na"	68.967654
"1653580"	783.392588	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Na+HCOOH"	68.994688
"161536"	1505.71484	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+2K-H"	76.91904
"599393"	2220.11274	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+2K-H"	76.91904
"1086695"	791.31694	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2K-H"	76.91904
"144611"	753.361058	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"2M+2K"	77.926316
"585266"	1110.560008	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"3M+2K"	77.926316
"1077437"	396.162108	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2K"	77.926316
"1107365"	793.331492	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2K+H"	78.933592
"1338643"	793.419107	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+DMSO+H"	79.021207
"1013375"	797.458276	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2ACN+H"	83.060376
"1536971"	798.451908	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+IsoProp+Na+H"	84.054008
"1003422"	399.232776	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+2ACN+2H"	84.067652
"1600111"	799.366528	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+K+HCOOH"	84.968628
"1428692"	829.398038	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+H+CF3COOH"	115.000138
"1154968"	419.746051	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+3ACN+2H"	125.094202
"1706705"	846.424585	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+NH4+CF3COOH"	132.026685
"1645636"	851.37998	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+Na+CF3COOH"	136.98208
"1586754"	867.35392	"C11965"	"Avermectin B1b monosaccharide"	"C40H58O11"	"714.3979"	"M+K+CF3COOH"	152.95602
"803997"	728.4136	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M"	0
"974611"	709.39521	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-H2O-H"	-19.01839
"65772"	484.601790666667	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M-3H"	-3.021828
"511896"	727.406324	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M-3H"	-3.021828
"887512"	241.797257333333	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-3H"	-3.021828
"11554"	727.406324	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H"	-2.014552
"452212"	1091.613124	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H"	-2.014552
"825637"	363.199524	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-2H"	-2.014552
"86721"	1455.819924	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M-H"	-1.007276
"519114"	2184.233524	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M-H"	-1.007276
"897519"	727.406324	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-H"	-1.007276
"49705"	1472.846471	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H+NH4"	16.019271
"489630"	2201.260071	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H+NH4"	16.019271
"872545"	744.432871	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-2H+NH4"	16.019271
"34978"	1477.801866	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H+Na"	20.974666
"477820"	2206.215466	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H+Na"	20.974666
"856723"	749.388266	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-2H+Na"	20.974666
"1627353"	749.388266	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Na-2H"	20.974666
"103882"	745.394663	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M-H+Cl"	33.962126
"542346"	1109.601463	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M-H+Cl"	33.962126
"931849"	381.187863	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-H+Cl"	33.962126
"274415"	1491.796602	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+Cl"	34.969402
"662465"	2220.210202	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+Cl"	34.969402
"1276326"	763.383002	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl"	34.969402
"15800"	1493.775806	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H+K"	36.948606
"456622"	2222.189406	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H+K"	36.948606
"842451"	765.362206	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-2H+K"	36.948606
"1569222"	765.362206	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+K-2H"	36.948606
"954920"	773.411794	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-H+HCOOH"	44.998194
"370948"	1501.825401	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+HCOOH-H"	44.998201
"348270"	1515.841051	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+Hac-H"	59.013851
"1503664"	787.427451	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Hac-H"	59.013851
"961365"	795.393751	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-H+NaCOOH"	66.980151
"120114"	763.383002	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+2Cl"	69.938804
"553114"	1127.589802	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+2Cl"	69.938804
"1028474"	399.176202	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2Cl"	69.938804
"1249146"	807.332485	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Br"	78.918885
"1314876"	809.388472	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl+HCOOH"	80.974872
"1329093"	831.370429	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl+NaCOOH"	102.956829
"926226"	841.399186	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M-H+CF3COOH"	112.985586
"1303057"	877.375864	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl+CF3COOH"	148.962264
"1381218"	693.400924	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H-2H2O"	-35.012676
"1394708"	711.4109	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H-H2O"	-17.0027
"298163"	1457.834476	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+H"	1.007276
"689005"	2186.248076	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+H"	1.007276
"1358791"	729.420876	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H"	1.007276
"129491"	729.420876	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+2H"	2.014552
"566255"	1093.627676	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+2H"	2.014552
"1038212"	365.214076	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2H"	2.014552
"204649"	486.616342666667	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+3H"	3.021828
"644263"	729.420876	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+3H"	3.021828
"1163795"	243.811809333333	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+3H"	3.021828
"424292"	1474.861023	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+NH4"	18.033823
"786117"	2203.274623	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+NH4"	18.033823
"1682083"	746.447423	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+NH4"	18.033823
"332308"	737.9341495	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+H+NH4"	19.041099
"728009"	1102.1409495	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+H+NH4"	19.041099
"1480738"	373.7273495	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H+NH4"	19.041099
"395407"	1479.816418	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+Na"	22.989218
"757134"	2208.230018	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+Na"	22.989218
"1604138"	751.402818	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Na"	22.989218
"326211"	740.411847	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+H+Na"	23.996494
"721197"	1104.618647	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+H+Na"	23.996494
"1475988"	376.205047	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H+Na"	23.996494
"1066074"	251.139123333333	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2H+Na"	25.00377
"1269940"	761.447086	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+CH3OH+H"	33.033486
"387057"	1495.790358	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+K"	38.963158
"752793"	2224.203958	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+K"	38.963158
"1551926"	767.376758	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+K"	38.963158
"313113"	748.398817	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+H+K"	39.970434
"706103"	1112.605617	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+H+K"	39.970434
"1460083"	384.192017	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H+K"	39.970434
"250834"	1498.861026	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+ACN+H"	42.033826
"1221391"	770.447426	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+ACN+H"	42.033826
"1205276"	385.727351	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+ACN+2H"	43.041102
"201795"	1501.79836	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+2Na-H"	44.97116
"642938"	2230.21196	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+2Na-H"	44.97116
"1144865"	773.38476	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2Na-H"	44.97116
"184509"	751.402818	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+2Na"	45.978436
"627230"	1115.609618	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+2Na"	45.978436
"1128669"	387.196018	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2Na"	45.978436
"1408912"	258.466437333333	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H+2Na"	46.985712
"1443214"	775.426346	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H+HCOOH"	47.012746
"230723"	756.43584	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+3H2O+2H"	56.04448
"1520968"	789.47839	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+IsoProp+H"	61.06479
"415187"	759.389788	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+Na+K"	61.952376
"779466"	1123.596588	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+Na+K"	61.952376
"1671420"	395.182988	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Na+K"	61.952376
"253926"	1520.842968	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+ACN+Na"	64.015768
"1228457"	792.429368	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+ACN+Na"	64.015768
"1714063"	792.452893	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+NH4+HCOOH"	64.039293
"1180514"	265.793751333333	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+3Na"	68.967654
"1654047"	797.408288	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Na+HCOOH"	68.994688
"161646"	1533.74624	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+2K-H"	76.91904
"599381"	2262.15984	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+2K-H"	76.91904
"1085712"	805.33264	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2K-H"	76.91904
"144722"	767.376758	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"2M+2K"	77.926316
"584284"	1131.583558	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"3M+2K"	77.926316
"1078642"	403.169958	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2K"	77.926316
"1107475"	807.347192	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2K+H"	78.933592
"1341673"	807.434807	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+DMSO+H"	79.021207
"1015674"	811.473976	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2ACN+H"	83.060376
"1535988"	812.467608	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+IsoProp+Na+H"	84.054008
"1004625"	406.240626	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+2ACN+2H"	84.067652
"1600221"	813.382228	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+K+HCOOH"	84.968628
"1429410"	843.413738	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+H+CF3COOH"	115.000138
"1160546"	426.753901	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+3ACN+2H"	125.094202
"1710827"	860.440285	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+NH4+CF3COOH"	132.026685
"1646842"	865.39568	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+Na+CF3COOH"	136.98208
"1586864"	881.36962	"C11966"	"Avermectin A1b monosaccharide"	"C41H60O11"	"728.4136"	"M+K+CF3COOH"	152.95602
"804108"	858.4766	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M"	0
"980921"	839.45821	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-H2O-H"	-19.01839
"72446"	571.310457333333	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M-3H"	-3.021828
"507631"	857.469324	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M-3H"	-3.021828
"894190"	285.151590666667	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-3H"	-3.021828
"12765"	857.469324	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M-2H"	-2.014552
"449043"	1286.707624	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M-2H"	-2.014552
"830124"	428.231024	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-2H"	-2.014552
"91087"	1715.945924	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M-H"	-1.007276
"520927"	2574.422524	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M-H"	-1.007276
"897630"	857.469324	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-H"	-1.007276
"49818"	1732.972471	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M-2H+NH4"	16.019271
"490833"	2591.449071	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M-2H+NH4"	16.019271
"872655"	874.495871	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-2H+NH4"	16.019271
"33995"	1737.927866	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M-2H+Na"	20.974666
"474650"	2596.404466	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M-2H+Na"	20.974666
"855740"	879.451266	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-2H+Na"	20.974666
"1628555"	879.451266	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Na-2H"	20.974666
"101804"	875.457663	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M-H+Cl"	33.962126
"536989"	1304.695963	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M-H+Cl"	33.962126
"931595"	446.219363	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-H+Cl"	33.962126
"272338"	1751.922602	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+Cl"	34.969402
"662575"	2610.399202	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+Cl"	34.969402
"1274978"	893.446002	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Cl"	34.969402
"15719"	1753.901806	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M-2H+K"	36.948606
"457461"	2612.378406	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M-2H+K"	36.948606
"841467"	895.425206	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-2H+K"	36.948606
"1560583"	895.425206	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+K-2H"	36.948606
"948469"	903.474794	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-H+HCOOH"	44.998194
"371057"	1761.951401	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+HCOOH-H"	44.998201
"348380"	1775.967051	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+Hac-H"	59.013851
"1500494"	917.490451	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Hac-H"	59.013851
"961475"	925.456751	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-H+NaCOOH"	66.980151
"118037"	893.446002	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+2Cl"	69.938804
"551037"	1322.684302	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+2Cl"	69.938804
"1028584"	464.207702	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2Cl"	69.938804
"1245976"	937.395485	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Br"	78.918885
"1313893"	939.451472	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Cl+HCOOH"	80.974872
"1329203"	961.433429	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Cl+NaCOOH"	102.956829
"925729"	971.462186	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M-H+CF3COOH"	112.985586
"1303653"	1007.438864	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Cl+CF3COOH"	148.962264
"1380235"	823.463924	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H-2H2O"	-35.012676
"1393725"	841.4739	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H-H2O"	-17.0027
"293413"	1717.960476	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+H"	1.007276
"689115"	2576.437076	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+H"	1.007276
"1356715"	859.483876	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H"	1.007276
"129601"	859.483876	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+2H"	2.014552
"566973"	1288.722176	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+2H"	2.014552
"1037593"	430.245576	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2H"	2.014552
"205731"	573.325009333333	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+3H"	3.021828
"644555"	859.483876	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+3H"	3.021828
"1164270"	287.166142666667	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+3H"	3.021828
"424623"	1734.987023	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+NH4"	18.033823
"786144"	2593.463623	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+NH4"	18.033823
"1682436"	876.510423	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+NH4"	18.033823
"334605"	867.9971495	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+H+NH4"	19.041099
"727025"	1297.2354495	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+H+NH4"	19.041099
"1479755"	438.7588495	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H+NH4"	19.041099
"394302"	1739.942418	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+Na"	22.989218
"757244"	2598.419018	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+Na"	22.989218
"1605341"	881.465818	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Na"	22.989218
"324132"	870.474847	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+H+Na"	23.996494
"715473"	1299.713147	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+H+Na"	23.996494
"1467106"	441.236547	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H+Na"	23.996494
"1062537"	294.493456666667	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2H+Na"	25.00377
"1266403"	891.510086	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+CH3OH+H"	33.033486
"384977"	1755.916358	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+K"	38.963158
"745975"	2614.392958	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+K"	38.963158
"1551306"	897.439758	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+K"	38.963158
"309577"	878.461817	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+H+K"	39.970434
"704914"	1307.700117	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+H+K"	39.970434
"1458736"	449.223517	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H+K"	39.970434
"248430"	1758.987026	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+ACN+H"	42.033826
"1220408"	900.510426	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+ACN+H"	42.033826
"1203927"	450.758851	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+ACN+2H"	43.041102
"198261"	1761.92436	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+2Na-H"	44.97116
"640374"	2620.40096	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+2Na-H"	44.97116
"1139142"	903.44776	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2Na-H"	44.97116
"184618"	881.465818	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+2Na"	45.978436
"623815"	1310.704118	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+2Na"	45.978436
"1123310"	452.227518	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2Na"	45.978436
"1403553"	301.820770666667	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H+2Na"	46.985712
"1434575"	905.489346	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H+HCOOH"	47.012746
"230467"	886.49884	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+3H2O+2H"	56.04448
"1510508"	919.54139	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+IsoProp+H"	61.06479
"411287"	889.452788	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+Na+K"	61.952376
"771189"	1318.691088	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+Na+K"	61.952376
"1666424"	460.214488	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Na+K"	61.952376
"253671"	1780.968968	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+ACN+Na"	64.015768
"1226862"	922.492368	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+ACN+Na"	64.015768
"1713317"	922.515893	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+NH4+HCOOH"	64.039293
"1179529"	309.148084666667	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+3Na"	68.967654
"1650876"	927.471288	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Na+HCOOH"	68.994688
"158834"	1793.87224	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+2K-H"	76.91904
"599851"	2652.34884	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+2K-H"	76.91904
"1086915"	935.39564	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2K-H"	76.91904
"144099"	897.439758	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"2M+2K"	77.926316
"583299"	1326.678058	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"3M+2K"	77.926316
"1078752"	468.201458	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2K"	77.926316
"1104305"	937.410192	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2K+H"	78.933592
"1341783"	937.497807	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+DMSO+H"	79.021207
"1014690"	941.536976	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2ACN+H"	83.060376
"1536098"	942.530608	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+IsoProp+Na+H"	84.054008
"1003278"	471.272126	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+2ACN+2H"	84.067652
"1597051"	943.445228	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+K+HCOOH"	84.968628
"1424900"	973.476738	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+H+CF3COOH"	115.000138
"1161751"	491.785401	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+3ACN+2H"	125.094202
"1708019"	990.503285	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+NH4+CF3COOH"	132.026685
"1645859"	995.45868	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+Na+CF3COOH"	136.98208
"1586974"	1011.43262	"C11967"	"Avermectin B1b"	"C47H70O14"	"858.4766"	"M+K+CF3COOH"	152.95602
"805311"	872.4922	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M"	0
"982124"	853.47381	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-H2O-H"	-19.01839
"76201"	580.654190666667	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M-3H"	-3.021828
"509927"	871.484924	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M-3H"	-3.021828
"894300"	289.823457333333	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-3H"	-3.021828
"13969"	871.484924	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M-2H"	-2.014552
"454255"	1307.731024	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M-2H"	-2.014552
"830599"	435.238824	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-2H"	-2.014552
"92412"	1743.977124	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M-H"	-1.007276
"523223"	2616.469324	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M-H"	-1.007276
"903210"	871.484924	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-H"	-1.007276
"53211"	1761.003671	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M-2H+NH4"	16.019271
"492772"	2633.495871	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M-2H+NH4"	16.019271
"872765"	888.511471	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-2H+NH4"	16.019271
"34105"	1765.959066	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M-2H+Na"	20.974666
"474760"	2638.451266	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M-2H+Na"	20.974666
"855850"	893.466866	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-2H+Na"	20.974666
"1625386"	893.466866	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Na-2H"	20.974666
"100820"	889.473263	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M-H+Cl"	33.962126
"540378"	1325.719363	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M-H+Cl"	33.962126
"932798"	453.227163	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-H+Cl"	33.962126
"273541"	1779.953802	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+Cl"	34.969402
"664142"	2652.446002	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+Cl"	34.969402
"1276181"	907.461602	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Cl"	34.969402
"20926"	1781.933006	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M-2H+K"	36.948606
"458664"	2654.425206	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M-2H+K"	36.948606
"839391"	909.440806	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-2H+K"	36.948606
"1558865"	909.440806	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+K-2H"	36.948606
"945298"	917.490394	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-H+HCOOH"	44.998194
"362784"	1789.982601	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+HCOOH-H"	44.998201
"345804"	1803.998251	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+Hac-H"	59.013851
"1497323"	931.506051	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Hac-H"	59.013851
"962678"	939.472351	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-H+NaCOOH"	66.980151
"114135"	907.461602	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+2Cl"	69.938804
"550281"	1343.707702	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+2Cl"	69.938804
"1023585"	471.215502	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2Cl"	69.938804
"1246450"	951.411085	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Br"	78.918885
"1311816"	953.467072	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Cl+HCOOH"	80.974872
"1328220"	975.449029	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Cl+NaCOOH"	102.956829
"925717"	985.477786	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M-H+CF3COOH"	112.985586
"1304008"	1021.454464	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Cl+CF3COOH"	148.962264
"1381560"	837.479524	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H-2H2O"	-35.012676
"1394928"	855.4895	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H-H2O"	-17.0027
"294616"	1745.991676	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+H"	1.007276
"690318"	2618.483876	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+H"	1.007276
"1359011"	873.499476	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H"	1.007276
"129711"	873.499476	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+2H"	2.014552
"570362"	1309.745576	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+2H"	2.014552
"1041348"	437.253376	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2H"	2.014552
"205111"	582.668742666667	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+3H"	3.021828
"644543"	873.499476	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+3H"	3.021828
"1164016"	291.838009333333	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+3H"	3.021828
"424490"	1763.018223	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+NH4"	18.033823
"785930"	2635.510423	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+NH4"	18.033823
"1682061"	890.526023	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+NH4"	18.033823
"331555"	882.0127495	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+H+NH4"	19.041099
"724218"	1318.2588495	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+H+NH4"	19.041099
"1480957"	445.7666495	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H+NH4"	19.041099
"399636"	1767.973618	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+Na"	22.989218
"756622"	2640.465818	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+Na"	22.989218
"1605450"	895.481418	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Na"	22.989218
"326429"	884.490447	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+H+Na"	23.996494
"719594"	1320.736547	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+H+Na"	23.996494
"1470496"	448.244347	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H+Na"	23.996494
"1063740"	299.165323333333	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2H+Na"	25.00377
"1267605"	905.525686	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+CH3OH+H"	33.033486
"386183"	1783.947558	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+K"	38.963158
"747178"	2656.439758	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+K"	38.963158
"1552509"	911.455358	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+K"	38.963158
"311509"	892.477417	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+H+K"	39.970434
"704295"	1328.723517	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+H+K"	39.970434
"1459209"	456.231317	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H+K"	39.970434
"248902"	1787.018226	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+ACN+H"	42.033826
"1222702"	914.526026	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+ACN+H"	42.033826
"1202213"	457.766651	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+ACN+2H"	43.041102
"199464"	1789.95556	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+2Na-H"	44.97116
"639026"	2662.44776	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+2Na-H"	44.97116
"1140344"	917.46336	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2Na-H"	44.97116
"183634"	895.481418	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+2Na"	45.978436
"623194"	1331.727518	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+2Na"	45.978436
"1122327"	459.235318	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2Na"	45.978436
"1406945"	306.492637333333	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H+2Na"	46.985712
"1436142"	919.504946	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H+HCOOH"	47.012746
"225475"	900.51444	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+3H2O+2H"	56.04448
"1514627"	933.55699	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+IsoProp+H"	61.06479
"414313"	903.468388	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+Na+K"	61.952376
"771299"	1339.714488	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+Na+K"	61.952376
"1667265"	467.222288	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Na+K"	61.952376
"255240"	1809.000168	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+ACN+Na"	64.015768
"1226202"	936.507968	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+ACN+Na"	64.015768
"1712884"	936.531493	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+NH4+HCOOH"	64.039293
"1178560"	313.819951333333	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+3Na"	68.967654
"1651349"	941.486888	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Na+HCOOH"	68.994688
"157479"	1821.90344	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+2K-H"	76.91904
"598381"	2694.39564	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+2K-H"	76.91904
"1084386"	949.41124	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2K-H"	76.91904
"143118"	911.455358	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"2M+2K"	77.926316
"583044"	1347.701458	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"3M+2K"	77.926316
"1082141"	475.209258	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2K"	77.926316
"1104415"	951.425792	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2K+H"	78.933592
"1338613"	951.513407	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+DMSO+H"	79.021207
"1012610"	955.552576	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2ACN+H"	83.060376
"1531830"	956.546208	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+IsoProp+Na+H"	84.054008
"1001559"	478.279926	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+2ACN+2H"	84.067652
"1596067"	957.460828	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+K+HCOOH"	84.968628
"1422823"	987.492338	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+H+CF3COOH"	115.000138
"1161496"	498.793201	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+3ACN+2H"	125.094202
"1707036"	1004.518885	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+NH4+CF3COOH"	132.026685
"1647061"	1009.47428	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+Na+CF3COOH"	136.98208
"1583804"	1025.44822	"C11968"	"Avermectin A1b;Avermectin A1a 25-de(1-methylpropyl)-25-(1-methylethyl)-"	"C48H72O14"	"872.4922"	"M+K+CF3COOH"	152.95602
"814169"	586.3506	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M"	0
"981141"	567.33221	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-H2O-H"	-19.01839
"75582"	389.893124	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M-3H"	-3.021828
"507851"	585.343324	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M-3H"	-3.021828
"891122"	194.442924	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-3H"	-3.021828
"15635"	585.343324	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M-2H"	-2.014552
"455676"	878.518624	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M-2H"	-2.014552
"830344"	292.168024	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-2H"	-2.014552
"92157"	1171.693924	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M-H"	-1.007276
"524428"	1758.044524	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M-H"	-1.007276
"905510"	585.343324	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-H"	-1.007276
"49071"	1188.720471	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M-2H+NH4"	16.019271
"489965"	1775.071071	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M-2H+NH4"	16.019271
"872875"	602.369871	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-2H+NH4"	16.019271
"35308"	1193.675866	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M-2H+Na"	20.974666
"474870"	1780.026466	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M-2H+Na"	20.974666
"853773"	607.325266	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-2H+Na"	20.974666
"1630961"	607.325266	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Na-2H"	20.974666
"104210"	603.331663	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M-H+Cl"	33.962126
"541582"	896.506963	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M-H+Cl"	33.962126
"930721"	310.156363	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-H+Cl"	33.962126
"273651"	1207.670602	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+Cl"	34.969402
"663888"	1794.021202	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+Cl"	34.969402
"1276291"	621.320002	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Cl"	34.969402
"21400"	1209.649806	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M-2H+K"	36.948606
"463513"	1796.000406	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M-2H+K"	36.948606
"842781"	623.299206	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-2H+K"	36.948606
"1560801"	623.299206	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+K-2H"	36.948606
"943584"	631.348794	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-H+HCOOH"	44.998194
"363988"	1217.699401	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+HCOOH-H"	44.998201
"347135"	1231.715051	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+Hac-H"	59.013851
"1493908"	645.364451	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Hac-H"	59.013851
"962786"	653.330751	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-H+NaCOOH"	66.980151
"114974"	621.320002	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+2Cl"	69.938804
"552710"	914.495302	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+2Cl"	69.938804
"1027709"	328.144702	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2Cl"	69.938804
"1247290"	665.269485	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Br"	78.918885
"1314114"	667.325472	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Cl+HCOOH"	80.974872
"1335382"	689.307429	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Cl+NaCOOH"	102.956829
"926565"	699.336186	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M-H+CF3COOH"	112.985586
"1303639"	735.312864	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Cl+CF3COOH"	148.962264
"1381799"	551.337924	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H-2H2O"	-35.012676
"1395038"	569.3479	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H-H2O"	-17.0027
"292539"	1173.708476	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+H"	1.007276
"690064"	1760.059076	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+H"	1.007276
"1359121"	587.357876	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H"	1.007276
"130915"	587.357876	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+2H"	2.014552
"570473"	880.533176	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+2H"	2.014552
"1038298"	294.182576	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2H"	2.014552
"204984"	391.907676	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+3H"	3.021828
"647824"	587.357876	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+3H"	3.021828
"1167043"	196.457476	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+3H"	3.021828
"429221"	1190.735023	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+NH4"	18.033823
"791310"	1777.085623	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+NH4"	18.033823
"1687640"	604.384423	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+NH4"	18.033823
"332638"	595.8711495	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+H+NH4"	19.041099
"726152"	889.0464495	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+H+NH4"	19.041099
"1478880"	302.6958495	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H+NH4"	19.041099
"398653"	1195.690418	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+Na"	22.989218
"759649"	1782.041018	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+Na"	22.989218
"1607747"	609.339818	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Na"	22.989218
"326539"	598.348847	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+H+Na"	23.996494
"721162"	891.524147	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+H+Na"	23.996494
"1476075"	305.173547	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H+Na"	23.996494
"1065674"	203.78479	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2H+Na"	25.00377
"1270635"	619.384086	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+CH3OH+H"	33.033486
"390668"	1211.664358	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+K"	38.963158
"752756"	1798.014958	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+K"	38.963158
"1551526"	625.313758	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+K"	38.963158
"311987"	606.335817	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+H+K"	39.970434
"705501"	899.511117	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+H+K"	39.970434
"1460417"	313.160517	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H+K"	39.970434
"250474"	1214.735026	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+ACN+H"	42.033826
"1221358"	628.384426	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+ACN+H"	42.033826
"1205241"	314.695851	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+ACN+2H"	43.041102
"201399"	1217.67236	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+2Na-H"	44.97116
"640231"	1804.02296	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+2Na-H"	44.97116
"1144464"	631.32176	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2Na-H"	44.97116
"184840"	609.339818	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+2Na"	45.978436
"624398"	902.515118	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+2Na"	45.978436
"1125718"	316.164518	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2Na"	45.978436
"1407056"	211.112104	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H+2Na"	46.985712
"1439171"	633.363346	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H+HCOOH"	47.012746
"231052"	614.37284	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+3H2O+2H"	56.04448
"1521298"	647.41539	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+IsoProp+H"	61.06479
"415517"	617.326788	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+Na+K"	61.952376
"776513"	910.502088	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+Na+K"	61.952376
"1665725"	324.151488	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Na+K"	61.952376
"252311"	1236.716968	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+ACN+Na"	64.015768
"1226478"	650.366368	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+ACN+Na"	64.015768
"1713541"	650.389893	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+NH4+HCOOH"	64.039293
"1178507"	218.439418	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+3Na"	68.967654
"1650406"	655.345288	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Na+HCOOH"	68.994688
"157631"	1249.62024	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+2K-H"	76.91904
"598002"	1835.97084	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+2K-H"	76.91904
"1084456"	663.26964	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2K-H"	76.91904
"143593"	625.313758	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"2M+2K"	77.926316
"583519"	918.489058	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"3M+2K"	77.926316
"1075690"	332.138458	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2K"	77.926316
"1104525"	665.284192	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2K+H"	78.933592
"1337993"	665.371807	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+DMSO+H"	79.021207
"1011627"	669.410976	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2ACN+H"	83.060376
"1530847"	670.404608	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+IsoProp+Na+H"	84.054008
"998390"	335.209126	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+2ACN+2H"	84.067652
"1600551"	671.319228	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+K+HCOOH"	84.968628
"1425121"	701.350738	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+H+CF3COOH"	115.000138
"1161974"	355.722401	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+3ACN+2H"	125.094202
"1711157"	718.377285	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+NH4+CF3COOH"	132.026685
"1648264"	723.33268	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+Na+CF3COOH"	136.98208
"1583914"	739.30662	"C11969"	"68a-Seco-68a-deoxy-5-oxoavermectin 2a aglycone"	"C34H50O8"	"586.3506"	"M+K+CF3COOH"	152.95602
"804437"	600.3298	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M"	0
"974687"	581.31141	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-H2O-H"	-19.01839
"70588"	399.212590666667	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M-3H"	-3.021828
"507961"	599.322524	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M-3H"	-3.021828
"891232"	199.102657333333	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-3H"	-3.021828
"10902"	599.322524	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M-2H"	-2.014552
"453381"	899.487424	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M-2H"	-2.014552
"829361"	299.157624	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-2H"	-2.014552
"91174"	1199.652324	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M-H"	-1.007276
"521258"	1799.982124	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M-H"	-1.007276
"899060"	599.322524	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-H"	-1.007276
"48331"	1216.678871	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M-2H+NH4"	16.019271
"488982"	1817.008671	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M-2H+NH4"	16.019271
"864600"	616.349071	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-2H+NH4"	16.019271
"35418"	1221.634266	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M-2H+Na"	20.974666
"474980"	1821.964066	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M-2H+Na"	20.974666
"857163"	621.304466	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-2H+Na"	20.974666
"1631071"	621.304466	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Na-2H"	20.974666
"105413"	617.310863	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M-H+Cl"	33.962126
"540599"	917.475763	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M-H+Cl"	33.962126
"929738"	317.145963	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-H+Cl"	33.962126
"269753"	1235.629002	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+Cl"	34.969402
"662175"	1835.958802	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+Cl"	34.969402
"1275308"	635.299202	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Cl"	34.969402
"19688"	1237.608206	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M-2H+K"	36.948606
"467270"	1837.938006	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M-2H+K"	36.948606
"841798"	637.278406	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-2H+K"	36.948606
"1564192"	637.278406	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+K-2H"	36.948606
"943694"	645.327994	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-H+HCOOH"	44.998194
"362641"	1245.657801	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+HCOOH-H"	44.998201
"345755"	1259.673451	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+Hac-H"	59.013851
"1492769"	659.343651	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Hac-H"	59.013851
"961802"	667.309951	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-H+NaCOOH"	66.980151
"111436"	635.299202	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+2Cl"	69.938804
"552458"	935.464102	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+2Cl"	69.938804
"1023809"	335.134302	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2Cl"	69.938804
"1243016"	679.248685	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Br"	78.918885
"1304417"	681.304672	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Cl+HCOOH"	80.974872
"1319909"	703.286629	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Cl+NaCOOH"	102.956829
"911361"	713.315386	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M-H+CF3COOH"	112.985586
"1294017"	749.292064	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Cl+CF3COOH"	148.962264
"1375462"	565.317124	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H-2H2O"	-35.012676
"1385306"	583.3271	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H-H2O"	-17.0027
"284993"	1201.666876	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+H"	1.007276
"679601"	1801.996676	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+H"	1.007276
"1355949"	601.337076	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H"	1.007276
"128837"	601.337076	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+2H"	2.014552
"569489"	901.501976	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+2H"	2.014552
"1037134"	301.172176	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2H"	2.014552
"205094"	401.227142666667	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+3H"	3.021828
"644475"	601.337076	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+3H"	3.021828
"1163748"	201.117209333333	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+3H"	3.021828
"426051"	1218.693423	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+NH4"	18.033823
"787046"	1819.023223	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+NH4"	18.033823
"1681795"	618.363623	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+NH4"	18.033823
"330925"	609.8503495	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+H+NH4"	19.041099
"727356"	910.0152495	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+H+NH4"	19.041099
"1480084"	309.6854495	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H+NH4"	19.041099
"396577"	1223.648818	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+Na"	22.989218
"761946"	1823.978618	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+Na"	22.989218
"1605670"	623.319018	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Na"	22.989218
"323369"	612.328047	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+H+Na"	23.996494
"720180"	912.492947	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+H+Na"	23.996494
"1476551"	312.163147	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H+Na"	23.996494
"1065784"	208.444523333333	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2H+Na"	25.00377
"1270745"	633.363286	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+CH3OH+H"	33.033486
"390778"	1239.622758	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+K"	38.963158
"751773"	1839.952558	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+K"	38.963158
"1551636"	639.292958	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+K"	38.963158
"312463"	620.315017	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+H+K"	39.970434
"706663"	920.479917	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+H+K"	39.970434
"1458333"	320.150117	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H+K"	39.970434
"249490"	1242.693426	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+ACN+H"	42.033826
"1219646"	642.363626	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+ACN+H"	42.033826
"1202434"	321.685451	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+ACN+2H"	43.041102
"194576"	1245.63076	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+2Na-H"	44.97116
"633770"	1845.96056	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+2Na-H"	44.97116
"1142752"	645.30096	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2Na-H"	44.97116
"183857"	623.319018	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+2Na"	45.978436
"623051"	923.483918	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+2Na"	45.978436
"1126920"	323.154118	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2Na"	45.978436
"1410446"	215.771837333333	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H+2Na"	46.985712
"1438188"	647.342546	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H+HCOOH"	47.012746
"231162"	628.35204	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+3H2O+2H"	56.04448
"1521408"	661.39459	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+IsoProp+H"	61.06479
"415627"	631.305988	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+Na+K"	61.952376
"775530"	931.470888	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+Na+K"	61.952376
"1665902"	331.141088	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Na+K"	61.952376
"251809"	1264.675368	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+ACN+Na"	64.015768
"1225816"	664.345568	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+ACN+Na"	64.015768
"1715602"	664.369093	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+NH4+HCOOH"	64.039293
"1178595"	223.099151333333	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+3Na"	68.967654
"1650191"	669.324488	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Na+HCOOH"	68.994688
"157784"	1277.57864	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+2K-H"	76.91904
"597667"	1877.90844	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+2K-H"	76.91904
"1085055"	677.24884	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2K-H"	76.91904
"142977"	639.292958	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"2M+2K"	77.926316
"583631"	939.457858	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"3M+2K"	77.926316
"1070332"	339.128058	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2K"	77.926316
"1102442"	679.263392	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2K+H"	78.933592
"1338833"	679.351007	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+DMSO+H"	79.021207
"1008455"	683.390176	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2ACN+H"	83.060376
"1533144"	684.383808	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+IsoProp+Na+H"	84.054008
"999593"	342.198726	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+2ACN+2H"	84.067652
"1601027"	685.298428	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+K+HCOOH"	84.968628
"1426324"	715.329938	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+H+CF3COOH"	115.000138
"1160988"	362.712001	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+3ACN+2H"	125.094202
"1711267"	732.356485	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+NH4+CF3COOH"	132.026685
"1648374"	737.31188	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+Na+CF3COOH"	136.98208
"1584024"	753.28582	"C11970"	"5-Oxoavermectin 2a aglycone"	"C34H48O9"	"600.3298"	"M+K+CF3COOH"	152.95602
"807827"	602.3455	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M"	0
"978080"	583.32711	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-H2O-H"	-19.01839
"70698"	400.556390666667	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M-3H"	-3.021828
"508071"	601.338224	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M-3H"	-3.021828
"891342"	199.774557333333	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-3H"	-3.021828
"11012"	601.338224	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M-2H"	-2.014552
"453856"	902.510974	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M-2H"	-2.014552
"830200"	300.165474	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-2H"	-2.014552
"89097"	1203.683724	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M-H"	-1.007276
"523555"	1806.029224	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M-H"	-1.007276
"901357"	601.338224	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-H"	-1.007276
"48077"	1220.710271	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M-2H+NH4"	16.019271
"489822"	1823.055771	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M-2H+NH4"	16.019271
"864284"	618.364771	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-2H+NH4"	16.019271
"34435"	1225.665666	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M-2H+Na"	20.974666
"481650"	1828.011166	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M-2H+Na"	20.974666
"853993"	623.320166	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-2H+Na"	20.974666
"1631181"	623.320166	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Na-2H"	20.974666
"102243"	619.326563	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M-H+Cl"	33.962126
"534877"	920.499313	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M-H+Cl"	33.962126
"928754"	318.153813	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-H+Cl"	33.962126
"271686"	1239.660402	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+Cl"	34.969402
"660378"	1842.005902	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+Cl"	34.969402
"1274323"	637.314902	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Cl"	34.969402
"17612"	1241.639606	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M-2H+K"	36.948606
"467380"	1843.985106	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M-2H+K"	36.948606
"839722"	639.294106	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-2H+K"	36.948606
"1563209"	639.294106	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+K-2H"	36.948606
"945629"	647.343694	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-H+HCOOH"	44.998194
"363844"	1249.689201	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+HCOOH-H"	44.998201
"345937"	1263.704851	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+Hac-H"	59.013851
"1493151"	661.359351	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Hac-H"	59.013851
"960820"	669.325651	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-H+NaCOOH"	66.980151
"111183"	637.314902	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+2Cl"	69.938804
"554754"	938.487652	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+2Cl"	69.938804
"1022825"	336.142152	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2Cl"	69.938804
"1242035"	681.264385	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Br"	78.918885
"1306676"	683.320372	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Cl+HCOOH"	80.974872
"1320196"	705.302329	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Cl+NaCOOH"	102.956829
"911625"	715.331086	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M-H+CF3COOH"	112.985586
"1294127"	751.307764	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Cl+CF3COOH"	148.962264
"1372292"	567.332824	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H-2H2O"	-35.012676
"1385416"	585.3428	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H-H2O"	-17.0027
"286196"	1205.698276	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+H"	1.007276
"679711"	1808.043776	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+H"	1.007276
"1354966"	603.352776	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H"	1.007276
"128947"	603.352776	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+2H"	2.014552
"568506"	904.525526	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+2H"	2.014552
"1037667"	302.180026	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2H"	2.014552
"205204"	402.570942666667	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+3H"	3.021828
"645128"	603.352776	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+3H"	3.021828
"1165076"	201.789109333333	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+3H"	3.021828
"428348"	1222.724823	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+NH4"	18.033823
"789343"	1825.070323	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+NH4"	18.033823
"1681662"	620.379323	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+NH4"	18.033823
"332858"	611.8660495	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+H+NH4"	19.041099
"724186"	913.0387995	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+H+NH4"	19.041099
"1479101"	310.6932995	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H+NH4"	19.041099
"393765"	1227.680218	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+Na"	22.989218
"754438"	1830.025718	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+Na"	22.989218
"1603835"	625.334718	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Na"	22.989218
"318007"	614.343747	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+H+Na"	23.996494
"718102"	915.516497	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+H+Na"	23.996494
"1475202"	313.170997	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H+Na"	23.996494
"1066257"	209.116423333333	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2H+Na"	25.00377
"1270855"	635.378986	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+CH3OH+H"	33.033486
"390888"	1243.654158	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+K"	38.963158
"749695"	1845.999658	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+K"	38.963158
"1552838"	641.308658	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+K"	38.963158
"308919"	622.330717	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+H+K"	39.970434
"700245"	923.503467	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+H+K"	39.970434
"1456257"	321.157967	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H+K"	39.970434
"249235"	1246.724826	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+ACN+H"	42.033826
"1220849"	644.379326	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+ACN+H"	42.033826
"1202545"	322.693301	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+ACN+2H"	43.041102
"197602"	1249.66216	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+2Na-H"	44.97116
"632786"	1852.00766	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+2Na-H"	44.97116
"1142862"	647.31666	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2Na-H"	44.97116
"186152"	625.334718	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+2Na"	45.978436
"624982"	926.507468	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+2Na"	45.978436
"1128121"	324.161968	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2Na"	45.978436
"1410556"	216.443737333333	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H+2Na"	46.985712
"1439391"	649.358246	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H+HCOOH"	47.012746
"231272"	630.36774	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+3H2O+2H"	56.04448
"1516051"	663.41029	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+IsoProp+H"	61.06479
"411362"	633.321688	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+Na+K"	61.952376
"777827"	934.494438	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+Na+K"	61.952376
"1665689"	332.148938	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Na+K"	61.952376
"251716"	1268.706768	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+ACN+Na"	64.015768
"1225964"	666.361268	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+ACN+Na"	64.015768
"1715712"	666.384793	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+NH4+HCOOH"	64.039293
"1179240"	223.771051333333	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+3Na"	68.967654
"1650095"	671.340188	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Na+HCOOH"	68.994688
"157491"	1281.61004	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+2K-H"	76.91904
"598102"	1883.95554	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+2K-H"	76.91904
"1084432"	679.26454	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2K-H"	76.91904
"143086"	641.308658	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"2M+2K"	77.926316
"583012"	942.481408	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"3M+2K"	77.926316
"1070077"	340.135908	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2K"	77.926316
"1101825"	681.279092	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2K+H"	78.933592
"1337482"	681.366707	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+DMSO+H"	79.021207
"1007472"	685.405876	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2ACN+H"	83.060376
"1527786"	686.399508	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+IsoProp+Na+H"	84.054008
"998610"	343.206576	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+2ACN+2H"	84.067652
"1601865"	687.314128	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+K+HCOOH"	84.968628
"1424248"	717.345638	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+H+CF3COOH"	115.000138
"1161097"	363.719851	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+3ACN+2H"	125.094202
"1711986"	734.372185	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+NH4+CF3COOH"	132.026685
"1648850"	739.32758	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+Na+CF3COOH"	136.98208
"1584134"	755.30152	"C11971"	"Avermectin B2a aglycone"	"C34H50O9"	"602.3455"	"M+K+CF3COOH"	152.95602
"811218"	616.3611	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M"	0
"981471"	597.34271	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-H2O-H"	-19.01839
"69715"	409.900124	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M-3H"	-3.021828
"515836"	615.353824	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M-3H"	-3.021828
"891452"	204.446424	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-3H"	-3.021828
"11122"	615.353824	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M-2H"	-2.014552
"453966"	923.534374	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M-2H"	-2.014552
"829581"	307.173274	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-2H"	-2.014552
"91392"	1231.714924	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M-H"	-1.007276
"521478"	1848.076024	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M-H"	-1.007276
"902560"	615.353824	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-H"	-1.007276
"52560"	1248.741471	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M-2H+NH4"	16.019271
"492120"	1865.102571	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M-2H+NH4"	16.019271
"867734"	632.380371	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-2H+NH4"	16.019271
"34545"	1253.696866	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M-2H+Na"	20.974666
"473132"	1870.057966	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M-2H+Na"	20.974666
"854103"	637.335766	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-2H+Na"	20.974666
"1629104"	637.335766	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Na-2H"	20.974666
"106728"	633.342163	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M-H+Cl"	33.962126
"537539"	941.522713	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M-H+Cl"	33.962126
"928501"	325.161613	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-H+Cl"	33.962126
"271796"	1267.691602	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+Cl"	34.969402
"660069"	1884.052702	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+Cl"	34.969402
"1273002"	651.330502	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Cl"	34.969402
"25742"	1269.670806	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M-2H+K"	36.948606
"468952"	1886.031906	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M-2H+K"	36.948606
"840925"	653.309706	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-2H+K"	36.948606
"1564413"	653.309706	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+K-2H"	36.948606
"943916"	661.359294	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-H+HCOOH"	44.998194
"363225"	1277.720401	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+HCOOH-H"	44.998201
"345849"	1291.736051	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+Hac-H"	59.013851
"1493622"	675.374951	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Hac-H"	59.013851
"962023"	683.341251	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-H+NaCOOH"	66.980151
"112024"	651.330502	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+2Cl"	69.938804
"554866"	959.511052	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+2Cl"	69.938804
"1021842"	343.149952	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2Cl"	69.938804
"1242025"	695.279985	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Br"	78.918885
"1307151"	697.335972	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Cl+HCOOH"	80.974872
"1319942"	719.317929	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Cl+NaCOOH"	102.956829
"911438"	729.346686	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M-H+CF3COOH"	112.985586
"1294237"	765.323364	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Cl+CF3COOH"	148.962264
"1375682"	581.348424	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H-2H2O"	-35.012676
"1385526"	599.3584	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H-H2O"	-17.0027
"284119"	1233.729476	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+H"	1.007276
"679821"	1850.090576	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+H"	1.007276
"1355076"	617.368376	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H"	1.007276
"129057"	617.368376	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+2H"	2.014552
"567521"	925.548926	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+2H"	2.014552
"1038140"	309.187826	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2H"	2.014552
"204580"	411.914676	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+3H"	3.021828
"649248"	617.368376	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+3H"	3.021828
"1167374"	206.460976	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+3H"	3.021828
"428459"	1250.756023	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+NH4"	18.033823
"790547"	1867.117123	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+NH4"	18.033823
"1683597"	634.394923	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+NH4"	18.033823
"332968"	625.8816495	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+H+NH4"	19.041099
"724296"	934.0621995	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+H+NH4"	19.041099
"1483585"	317.7010995	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H+NH4"	19.041099
"394610"	1255.711418	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+Na"	22.989218
"754426"	1872.072518	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+Na"	22.989218
"1605891"	639.350318	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Na"	22.989218
"321397"	628.359347	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+H+Na"	23.996494
"717847"	936.539897	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+H+Na"	23.996494
"1473126"	320.178797	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H+Na"	23.996494
"1066854"	213.78829	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2H+Na"	25.00377
"1270233"	649.394586	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+CH3OH+H"	33.033486
"389902"	1271.685358	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+K"	38.963158
"750896"	1888.046458	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+K"	38.963158
"1548574"	655.324258	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+K"	38.963158
"310125"	636.346317	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+H+K"	39.970434
"698169"	944.526867	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+H+K"	39.970434
"1456367"	328.165767	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H+K"	39.970434
"248251"	1274.756026	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+ACN+H"	42.033826
"1219864"	658.394926	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+ACN+H"	42.033826
"1202654"	329.701101	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+ACN+2H"	43.041102
"197713"	1277.69336	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+2Na-H"	44.97116
"633991"	1894.05446	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+2Na-H"	44.97116
"1141879"	661.33226	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2Na-H"	44.97116
"185411"	639.350318	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+2Na"	45.978436
"623636"	947.530868	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+2Na"	45.978436
"1127138"	331.169768	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2Na"	45.978436
"1404104"	221.115604	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H+2Na"	46.985712
"1437314"	663.373846	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H+HCOOH"	47.012746
"229196"	644.38334	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+3H2O+2H"	56.04448
"1513245"	677.42589	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+IsoProp+H"	61.06479
"413660"	647.337288	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+Na+K"	61.952376
"777937"	955.517838	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+Na+K"	61.952376
"1670986"	339.156738	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Na+K"	61.952376
"254589"	1296.737968	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+ACN+Na"	64.015768
"1227298"	680.376868	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+ACN+Na"	64.015768
"1713350"	680.400393	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+NH4+HCOOH"	64.039293
"1180448"	228.442918	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+3Na"	68.967654
"1651430"	685.355788	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Na+HCOOH"	68.994688
"161207"	1309.64124	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+2K-H"	76.91904
"600766"	1926.00234	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+2K-H"	76.91904
"1087837"	693.28014	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2K-H"	76.91904
"143558"	655.324258	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"2M+2K"	77.926316
"585304"	963.504808	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"3M+2K"	77.926316
"1070913"	347.143708	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2K"	77.926316
"1101082"	695.294692	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2K+H"	78.933592
"1338321"	695.382307	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+DMSO+H"	79.021207
"1007943"	699.421476	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2ACN+H"	83.060376
"1526069"	700.415108	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+IsoProp+Na+H"	84.054008
"996532"	350.214376	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+2ACN+2H"	84.067652
"1598696"	701.329728	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+K+HCOOH"	84.968628
"1426544"	731.361238	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+H+CF3COOH"	115.000138
"1161935"	370.727651	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+3ACN+2H"	125.094202
"1711974"	748.387785	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+NH4+CF3COOH"	132.026685
"1648231"	753.34318	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+Na+CF3COOH"	136.98208
"1584244"	769.31712	"C11972"	"Avermectin A2a aglycone"	"C35H52O9"	"616.3611"	"M+K+CF3COOH"	152.95602
"804767"	746.4241	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M"	0
"978301"	727.40571	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-H2O-H"	-19.01839
"64357"	496.608790666667	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M-3H"	-3.021828
"512666"	745.416824	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M-3H"	-3.021828
"891562"	247.800757333333	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-3H"	-3.021828
"5763"	745.416824	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H"	-2.014552
"450794"	1118.628874	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H"	-2.014552
"829688"	372.204774	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-2H"	-2.014552
"88956"	1491.840924	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M-H"	-1.007276
"531062"	2238.265024	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M-H"	-1.007276
"905947"	745.416824	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-H"	-1.007276
"48660"	1508.867471	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H+NH4"	16.019271
"490042"	2255.291571	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H+NH4"	16.019271
"867844"	762.443371	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-2H+NH4"	16.019271
"34655"	1513.822866	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H+Na"	20.974666
"472877"	2260.246966	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H+Na"	20.974666
"852026"	767.398766	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-2H+Na"	20.974666
"1627028"	767.398766	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Na-2H"	20.974666
"105745"	763.405163	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M-H+Cl"	33.962126
"536556"	1136.617213	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M-H+Cl"	33.962126
"928611"	390.193113	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-H+Cl"	33.962126
"274093"	1527.817602	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+Cl"	34.969402
"660308"	2274.241702	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+Cl"	34.969402
"1273919"	781.393502	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl"	34.969402
"25852"	1529.796806	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M-2H+K"	36.948606
"469794"	2276.220906	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M-2H+K"	36.948606
"843221"	783.372706	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-2H+K"	36.948606
"1565616"	783.372706	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+K-2H"	36.948606
"953505"	791.422294	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-H+HCOOH"	44.998194
"368438"	1537.846401	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+HCOOH-H"	44.998201
"350134"	1551.862051	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+Hac-H"	59.013851
"1500061"	805.437951	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Hac-H"	59.013851
"963229"	813.404251	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-H+NaCOOH"	66.980151
"115416"	781.393502	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+2Cl"	69.938804
"552789"	1154.605552	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+2Cl"	69.938804
"1027057"	408.181452	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2Cl"	69.938804
"1246638"	825.342985	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Br"	78.918885
"1307992"	827.398972	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl+HCOOH"	80.974872
"1321477"	849.380929	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl+NaCOOH"	102.956829
"920920"	859.409686	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M-H+CF3COOH"	112.985586
"1303097"	895.386364	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Cl+CF3COOH"	148.962264
"1379072"	711.411424	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H-2H2O"	-35.012676
"1392198"	729.4214	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H-H2O"	-17.0027
"292978"	1493.855476	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+H"	1.007276
"686494"	2240.279576	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+H"	1.007276
"1357374"	747.431376	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H"	1.007276
"130261"	747.431376	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+2H"	2.014552
"568727"	1120.643426	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+2H"	2.014552
"1037521"	374.219326	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2H"	2.014552
"205788"	498.623342666667	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+3H"	3.021828
"649358"	747.431376	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+3H"	3.021828
"1170764"	249.815309333333	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+3H"	3.021828
"428569"	1510.882023	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+NH4"	18.033823
"789564"	2257.306123	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+NH4"	18.033823
"1684801"	764.457923	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+NH4"	18.033823
"331985"	755.9446495	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+H+NH4"	19.041099
"724406"	1129.1566995	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+H+NH4"	19.041099
"1482601"	382.7325995	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H+NH4"	19.041099
"393496"	1515.837418	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+Na"	22.989218
"754257"	2262.261518	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+Na"	22.989218
"1606001"	769.413318	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Na"	22.989218
"321507"	758.422347	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+H+Na"	23.996494
"721361"	1131.634397	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+H+Na"	23.996494
"1474332"	385.210297	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H+Na"	23.996494
"1067816"	257.142623333333	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2H+Na"	25.00377
"1272170"	779.457586	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+CH3OH+H"	33.033486
"391834"	1531.811358	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+K"	38.963158
"752099"	2278.235458	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+K"	38.963158
"1551963"	785.387258	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+K"	38.963158
"306952"	766.409317	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+H+K"	39.970434
"699371"	1139.621367	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+H+K"	39.970434
"1454287"	393.197267	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H+K"	39.970434
"246901"	1534.882026	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+ACN+H"	42.033826
"1221066"	788.457926	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+ACN+H"	42.033826
"1199482"	394.732601	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+ACN+2H"	43.041102
"194540"	1537.81936	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+2Na-H"	44.97116
"635190"	2284.24346	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+2Na-H"	44.97116
"1137607"	791.39526	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2Na-H"	44.97116
"183088"	769.413318	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+2Na"	45.978436
"622286"	1142.625368	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+2Na"	45.978436
"1126155"	396.201268	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2Na"	45.978436
"1403484"	264.469937333333	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H+2Na"	46.985712
"1436331"	793.436846	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H+HCOOH"	47.012746
"229303"	774.44634	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+3H2O+2H"	56.04448
"1512991"	807.48889	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+IsoProp+H"	61.06479
"409395"	777.400288	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+Na+K"	61.952376
"771120"	1150.612338	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+Na+K"	61.952376
"1666234"	404.188238	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Na+K"	61.952376
"253239"	1556.863968	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+ACN+Na"	64.015768
"1225705"	810.439868	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+ACN+Na"	64.015768
"1712774"	810.463393	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+NH4+HCOOH"	64.039293
"1179456"	271.797251333333	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+3Na"	68.967654
"1650442"	815.418788	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Na+HCOOH"	68.994688
"157912"	1569.76724	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+2K-H"	76.91904
"598321"	2316.19134	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+2K-H"	76.91904
"1085029"	823.34314	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2K-H"	76.91904
"141601"	785.387258	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"2M+2K"	77.926316
"582979"	1158.599308	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"3M+2K"	77.926316
"1069438"	412.175208	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2K"	77.926316
"1101675"	825.357692	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2K+H"	78.933592
"1338066"	825.445307	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+DMSO+H"	79.021207
"1006595"	829.484476	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2ACN+H"	83.060376
"1524843"	830.478108	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+IsoProp+Na+H"	84.054008
"997735"	415.245876	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+2ACN+2H"	84.067652
"1600991"	831.392728	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+K+HCOOH"	84.968628
"1428475"	861.424238	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+H+CF3COOH"	115.000138
"1162047"	435.759151	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+3ACN+2H"	125.094202
"1710865"	878.450785	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+NH4+CF3COOH"	132.026685
"1648703"	883.40618	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+Na+CF3COOH"	136.98208
"1584354"	899.38012	"C11973"	"Avermectin B2a monosaccharide"	"C41H62O12"	"746.4241"	"M+K+CF3COOH"	152.95602
"804877"	760.4398	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M"	0
"978411"	741.42141	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-H2O-H"	-19.01839
"64831"	505.952590666667	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M-3H"	-3.021828
"512776"	759.432524	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M-3H"	-3.021828
"882195"	252.472657333333	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-3H"	-3.021828
"5873"	759.432524	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M-2H"	-2.014552
"453091"	1139.652424	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M-2H"	-2.014552
"828704"	379.212624	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-2H"	-2.014552
"89428"	1519.872324	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M-H"	-1.007276
"524975"	2280.312124	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M-H"	-1.007276
"899496"	759.432524	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-H"	-1.007276
"49500"	1536.898871	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M-2H+NH4"	16.019271
"489421"	2297.338671	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M-2H+NH4"	16.019271
"873428"	776.459071	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-2H+NH4"	16.019271
"43517"	1541.854266	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M-2H+Na"	20.974666
"480890"	2302.294066	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M-2H+Na"	20.974666
"855416"	781.414466	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-2H+Na"	20.974666
"1627138"	781.414466	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Na-2H"	20.974666
"99293"	777.420863	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M-H+Cl"	33.962126
"539945"	1157.640763	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M-H+Cl"	33.962126
"935646"	397.200963	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-H+Cl"	33.962126
"269465"	1555.849002	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+Cl"	34.969402
"666627"	2316.288802	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+Cl"	34.969402
"1277937"	795.409202	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Cl"	34.969402
"28156"	1557.828206	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M-2H+K"	36.948606
"469898"	2318.268006	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M-2H+K"	36.948606
"837864"	797.388406	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-2H+K"	36.948606
"1563539"	797.388406	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+K-2H"	36.948606
"952520"	805.437994	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-H+HCOOH"	44.998194
"369641"	1565.877801	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+HCOOH-H"	44.998201
"350245"	1579.893451	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+Hac-H"	59.013851
"1499077"	819.453651	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Hac-H"	59.013851
"964432"	827.419951	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-H+NaCOOH"	66.980151
"114433"	795.409202	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+2Cl"	69.938804
"555086"	1175.629102	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+2Cl"	69.938804
"1028260"	415.189302	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2Cl"	69.938804
"1246748"	839.358685	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Br"	78.918885
"1307009"	841.414672	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Cl+HCOOH"	80.974872
"1321587"	863.396629	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Cl+NaCOOH"	102.956829
"922123"	873.425386	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M-H+CF3COOH"	112.985586
"1302114"	909.402064	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Cl+CF3COOH"	148.962264
"1379182"	725.427124	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H-2H2O"	-35.012676
"1392308"	743.4371	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H-H2O"	-17.0027
"293088"	1521.886876	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+H"	1.007276
"685511"	2282.326676	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+H"	1.007276
"1357484"	761.447076	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H"	1.007276
"130371"	761.447076	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+2H"	2.014552
"571024"	1141.666976	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+2H"	2.014552
"1042009"	381.227176	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2H"	2.014552
"208815"	507.967142666667	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+3H"	3.021828
"651657"	761.447076	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+3H"	3.021828
"1168689"	254.487209333333	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+3H"	3.021828
"427588"	1538.913423	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+NH4"	18.033823
"790768"	2299.353223	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+NH4"	18.033823
"1688192"	778.473623	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+NH4"	18.033823
"337563"	769.9603495	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+H+NH4"	19.041099
"731078"	1150.1802495	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+H+NH4"	19.041099
"1484898"	389.7404495	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H+NH4"	19.041099
"393324"	1543.868818	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+Na"	22.989218
"755216"	2304.308618	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+Na"	22.989218
"1609396"	783.429018	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Na"	22.989218
"320529"	772.438047	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+H+Na"	23.996494
"722198"	1152.657947	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+H+Na"	23.996494
"1471152"	392.218147	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H+Na"	23.996494
"1066585"	261.814523333333	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2H+Na"	25.00377
"1271914"	793.473286	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+CH3OH+H"	33.033486
"392514"	1559.842758	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+K"	38.963158
"752210"	2320.282558	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+K"	38.963158
"1550982"	799.402958	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+K"	38.963158
"311076"	780.425017	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+H+K"	39.970434
"704590"	1160.644917	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+H+K"	39.970434
"1458043"	400.205117	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H+K"	39.970434
"247011"	1562.913426	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+ACN+H"	42.033826
"1223730"	802.473626	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+ACN+H"	42.033826
"1205060"	401.740451	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+ACN+2H"	43.041102
"193557"	1565.85076	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+2Na-H"	44.97116
"637491"	2326.29056	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+2Na-H"	44.97116
"1135529"	805.41096	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2Na-H"	44.97116
"185023"	783.429018	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+2Na"	45.978436
"621665"	1163.648918	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+2Na"	45.978436
"1125171"	403.209118	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2Na"	45.978436
"1405415"	269.141837333333	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H+2Na"	46.985712
"1438627"	807.452546	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H+HCOOH"	47.012746
"229413"	788.46204	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+3H2O+2H"	56.04448
"1513102"	821.50459	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+IsoProp+H"	61.06479
"414976"	791.415988	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+Na+K"	61.952376
"774879"	1171.635888	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+Na+K"	61.952376
"1669024"	411.196088	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Na+K"	61.952376
"252866"	1584.895368	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+ACN+Na"	64.015768
"1227153"	824.455568	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+ACN+Na"	64.015768
"1713489"	824.479093	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+NH4+HCOOH"	64.039293
"1180417"	276.469151333333	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+3Na"	68.967654
"1652740"	829.434488	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Na+HCOOH"	68.994688
"158513"	1597.79864	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+2K-H"	76.91904
"599291"	2358.23844	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+2K-H"	76.91904
"1085503"	837.35884	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2K-H"	76.91904
"143417"	799.402958	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"2M+2K"	77.926316
"583340"	1179.622858	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"3M+2K"	77.926316
"1070770"	419.183058	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2K"	77.926316
"1101916"	839.373392	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2K+H"	78.933592
"1337931"	839.461007	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+DMSO+H"	79.021207
"1009257"	843.500176	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2ACN+H"	83.060376
"1532493"	844.493808	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+IsoProp+Na+H"	84.054008
"990554"	422.253726	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+2ACN+2H"	84.067652
"1600006"	845.408428	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+K+HCOOH"	84.968628
"1425672"	875.439938	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+H+CF3COOH"	115.000138
"1162035"	442.767001	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+3ACN+2H"	125.094202
"1710975"	892.466485	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+NH4+CF3COOH"	132.026685
"1648813"	897.42188	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+Na+CF3COOH"	136.98208
"1584464"	913.39582	"C11974"	"Avermectin A2a monosaccharide"	"C42H64O12"	"760.4398"	"M+K+CF3COOH"	152.95602
"804987"	890.5028	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M"	0
"976695"	871.48441	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-H2O-H"	-19.01839
"65303"	592.661257333333	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M-3H"	-3.021828
"502923"	889.495524	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M-3H"	-3.021828
"886313"	295.826990666667	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-3H"	-3.021828
"3428"	889.495524	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M-2H"	-2.014552
"452837"	1334.746924	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M-2H"	-2.014552
"827721"	444.244124	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-2H"	-2.014552
"92087"	1779.998324	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M-H"	-1.007276
"523991"	2670.501124	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M-H"	-1.007276
"898146"	889.495524	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-H"	-1.007276
"50703"	1797.024871	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M-2H+NH4"	16.019271
"490261"	2687.527671	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M-2H+NH4"	16.019271
"873538"	906.522071	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-2H+NH4"	16.019271
"43627"	1801.980266	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M-2H+Na"	20.974666
"482823"	2692.483066	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M-2H+Na"	20.974666
"855527"	911.477466	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-2H+Na"	20.974666
"1625060"	911.477466	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Na-2H"	20.974666
"97216"	907.483863	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M-H+Cl"	33.962126
"537869"	1352.735263	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M-H+Cl"	33.962126
"929196"	462.232463	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-H+Cl"	33.962126
"270306"	1815.975002	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+Cl"	34.969402
"660902"	2706.477802	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+Cl"	34.969402
"1280235"	925.472202	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Cl"	34.969402
"28265"	1817.954206	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M-2H+K"	36.948606
"466730"	2708.457006	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M-2H+K"	36.948606
"837974"	927.451406	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-2H+K"	36.948606
"1561462"	927.451406	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+K-2H"	36.948606
"954454"	935.500994	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-H+HCOOH"	44.998194
"370844"	1826.003801	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+HCOOH-H"	44.998201
"354728"	1840.019451	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+Hac-H"	59.013851
"1502103"	949.516651	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Hac-H"	59.013851
"967823"	957.482951	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-H+NaCOOH"	66.980151
"120010"	925.472202	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+2Cl"	69.938804
"558476"	1370.723602	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+2Cl"	69.938804
"1028370"	480.220802	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2Cl"	69.938804
"1250139"	969.421685	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Br"	78.918885
"1308211"	971.477672	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Cl+HCOOH"	80.974872
"1330081"	993.459629	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Cl+NaCOOH"	102.956829
"921141"	1003.488386	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M-H+CF3COOH"	112.985586
"1302954"	1039.465064	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Cl+CF3COOH"	148.962264
"1379292"	855.490124	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H-2H2O"	-35.012676
"1395334"	873.5001	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H-H2O"	-17.0027
"296115"	1782.012876	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+H"	1.007276
"691176"	2672.515676	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+H"	1.007276
"1359781"	891.510076	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H"	1.007276
"133761"	891.510076	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+2H"	2.014552
"573321"	1336.761476	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+2H"	2.014552
"1044306"	446.258676	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2H"	2.014552
"211112"	594.675809333333	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+3H"	3.021828
"651767"	891.510076	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+3H"	3.021828
"1169892"	297.841542666667	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+3H"	3.021828
"432071"	1799.039423	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+NH4"	18.033823
"790878"	2689.542223	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+NH4"	18.033823
"1688302"	908.536623	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+NH4"	18.033823
"337673"	900.0233495	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+H+NH4"	19.041099
"731188"	1345.2747495	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+H+NH4"	19.041099
"1485008"	454.7719495	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H+NH4"	19.041099
"392905"	1803.994818	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+Na"	22.989218
"761406"	2694.497618	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+Na"	22.989218
"1610599"	913.492018	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Na"	22.989218
"318452"	902.501047	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+H+Na"	23.996494
"713067"	1347.752447	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+H+Na"	23.996494
"1471262"	457.249647	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H+Na"	23.996494
"1060134"	305.168856666667	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2H+Na"	25.00377
"1261811"	923.536286	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+CH3OH+H"	33.033486
"391324"	1819.968758	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+K"	38.963158
"751959"	2710.471558	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+K"	38.963158
"1552186"	929.465958	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+K"	38.963158
"309365"	910.488017	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+H+K"	39.970434
"702878"	1355.739417	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+H+K"	39.970434
"1455605"	465.236617	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H+K"	39.970434
"245299"	1823.039426	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+ACN+H"	42.033826
"1223473"	932.536626	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+ACN+H"	42.033826
"1202986"	466.771951	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+ACN+2H"	43.041102
"192576"	1825.97676	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+2Na-H"	44.97116
"637601"	2716.47956	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+2Na-H"	44.97116
"1138920"	935.47396	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2Na-H"	44.97116
"183311"	913.492018	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+2Na"	45.978436
"623962"	1358.743418	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+2Na"	45.978436
"1125281"	468.240618	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2Na"	45.978436
"1405525"	312.496170666667	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H+2Na"	46.985712
"1437644"	937.515546	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H+HCOOH"	47.012746
"229525"	918.52504	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+3H2O+2H"	56.04448
"1514306"	951.56759	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+IsoProp+H"	61.06479
"415088"	921.478988	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+Na+K"	61.952376
"776083"	1366.730388	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+Na+K"	61.952376
"1669134"	476.227588	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Na+K"	61.952376
"253584"	1845.021368	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+ACN+Na"	64.015768
"1226171"	954.518568	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+ACN+Na"	64.015768
"1713967"	954.542093	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+NH4+HCOOH"	64.039293
"1179555"	319.823484666667	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+3Na"	68.967654
"1651875"	959.497488	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Na+HCOOH"	68.994688
"161544"	1857.92464	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+2K-H"	76.91904
"599522"	2748.42744	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+2K-H"	76.91904
"1086707"	967.42184	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2K-H"	76.91904
"143529"	929.465958	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"2M+2K"	77.926316
"583936"	1374.717358	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"3M+2K"	77.926316
"1070635"	484.214558	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2K"	77.926316
"1102269"	969.436392	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2K+H"	78.933592
"1339014"	969.524007	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+DMSO+H"	79.021207
"1008637"	973.563176	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2ACN+H"	83.060376
"1528227"	974.556808	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+IsoProp+Na+H"	84.054008
"991028"	487.285226	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+2ACN+2H"	84.067652
"1600481"	975.471428	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+K+HCOOH"	84.968628
"1426875"	1005.502938	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+H+CF3COOH"	115.000138
"1161535"	507.798501	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+3ACN+2H"	125.094202
"1711085"	1022.529485	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+NH4+CF3COOH"	132.026685
"1648923"	1027.48488	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+Na+CF3COOH"	136.98208
"1584574"	1043.45882	"C11975"	"Avermectin B2a"	"C48H74O15"	"890.5028"	"M+K+CF3COOH"	152.95602
"805097"	904.5184	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M"	0
"974273"	885.50001	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-H2O-H"	-19.01839
"65049"	602.004990666667	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M-3H"	-3.021828
"502924"	903.511124	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M-3H"	-3.021828
"882415"	300.498857333333	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-3H"	-3.021828
"2445"	903.511124	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M-2H"	-2.014552
"446748"	1355.770324	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M-2H"	-2.014552
"827831"	451.251924	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-2H"	-2.014552
"87822"	1808.029524	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M-H"	-1.007276
"522643"	2712.547924	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M-H"	-1.007276
"896434"	903.511124	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-H"	-1.007276
"50084"	1825.056071	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M-2H+NH4"	16.019271
"489279"	2729.574471	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M-2H+NH4"	16.019271
"871461"	920.537671	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-2H+NH4"	16.019271
"40458"	1830.011466	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M-2H+Na"	20.974666
"483297"	2734.529866	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M-2H+Na"	20.974666
"855636"	925.493066	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-2H+Na"	20.974666
"1625170"	925.493066	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Na-2H"	20.974666
"97326"	921.499463	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M-H+Cl"	33.962126
"541259"	1373.758663	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M-H+Cl"	33.962126
"928578"	469.240263	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-H+Cl"	33.962126
"270052"	1844.006202	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+Cl"	34.969402
"662472"	2748.524602	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+Cl"	34.969402
"1279252"	939.487802	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Cl"	34.969402
"29465"	1845.985406	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M-2H+K"	36.948606
"467931"	2750.503806	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M-2H+K"	36.948606
"840272"	941.467006	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-2H+K"	36.948606
"1561572"	941.467006	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+K-2H"	36.948606
"955657"	949.516594	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-H+HCOOH"	44.998194
"373142"	1854.035001	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+HCOOH-H"	44.998201
"355931"	1868.050651	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+Hac-H"	59.013851
"1504400"	963.532251	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Hac-H"	59.013851
"971213"	971.498551	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-H+NaCOOH"	66.980151
"122307"	939.487802	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+2Cl"	69.938804
"559679"	1391.747002	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+2Cl"	69.938804
"1033948"	487.228602	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2Cl"	69.938804
"1250249"	983.437285	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Br"	78.918885
"1315976"	985.493272	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Cl+HCOOH"	80.974872
"1331287"	1007.475229	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Cl+NaCOOH"	102.956829
"924530"	1017.503986	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M-H+CF3COOH"	112.985586
"1300149"	1053.480664	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Cl+CF3COOH"	148.962264
"1378309"	869.505724	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H-2H2O"	-35.012676
"1394715"	887.5157	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H-H2O"	-17.0027
"290029"	1810.044076	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+H"	1.007276
"686824"	2714.562476	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+H"	1.007276
"1362079"	905.525676	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H"	1.007276
"139341"	905.525676	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+2H"	2.014552
"574526"	1357.784876	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+2H"	2.014552
"1041502"	453.266476	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2H"	2.014552
"211223"	604.019542666667	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+3H"	3.021828
"652972"	905.525676	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+3H"	3.021828
"1167817"	302.513409333333	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+3H"	3.021828
"431089"	1827.070623	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+NH4"	18.033823
"790988"	2731.589023	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+NH4"	18.033823
"1690599"	922.552223	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+NH4"	18.033823
"338877"	914.0389495	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+H+NH4"	19.041099
"730205"	1366.2981495	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+H+NH4"	19.041099
"1486212"	461.7797495	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H+NH4"	19.041099
"393227"	1832.026018	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+Na"	22.989218
"758234"	2736.544418	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+Na"	22.989218
"1609613"	927.507618	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Na"	22.989218
"320749"	916.516647	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+H+Na"	23.996494
"713177"	1368.775847	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+H+Na"	23.996494
"1471372"	464.257447	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H+Na"	23.996494
"1056963"	309.840723333333	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2H+Na"	25.00377
"1260828"	937.551886	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+CH3OH+H"	33.033486
"391799"	1847.999958	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+K"	38.963158
"750611"	2752.518358	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+K"	38.963158
"1554119"	943.481558	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+K"	38.963158
"308382"	924.503617	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+H+K"	39.970434
"702988"	1376.762817	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+H+K"	39.970434
"1455715"	472.244417	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H+K"	39.970434
"246502"	1851.070626	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+ACN+H"	42.033826
"1218116"	946.552226	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+ACN+H"	42.033826
"1199816"	473.779751	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+ACN+2H"	43.041102
"198153"	1854.00796	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+2Na-H"	44.97116
"635524"	2758.52636	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+2Na-H"	44.97116
"1135749"	949.48956	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2Na-H"	44.97116
"179042"	927.507618	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+2Na"	45.978436
"620061"	1379.766818	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+2Na"	45.978436
"1127578"	475.248418	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2Na"	45.978436
"1407822"	317.168037333333	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H+2Na"	46.985712
"1441036"	951.531146	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H+HCOOH"	47.012746
"229636"	932.54064	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+3H2O+2H"	56.04448
"1515510"	965.58319	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+IsoProp+H"	61.06479
"417384"	935.494588	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+Na+K"	61.952376
"776192"	1387.753788	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+Na+K"	61.952376
"1672523"	483.235388	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Na+K"	61.952376
"253694"	1873.052568	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+ACN+Na"	64.015768
"1225917"	968.534168	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+ACN+Na"	64.015768
"1712911"	968.557693	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+NH4+HCOOH"	64.039293
"1179181"	324.495351333333	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+3Na"	68.967654
"1651256"	973.513088	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Na+HCOOH"	68.994688
"160561"	1885.95584	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+2K-H"	76.91904
"597362"	2790.47424	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+2K-H"	76.91904
"1084994"	981.43744	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2K-H"	76.91904
"144364"	943.481558	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"2M+2K"	77.926316
"583680"	1395.740758	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"3M+2K"	77.926316
"1070988"	491.222358	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2K"	77.926316
"1102374"	983.451992	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2K+H"	78.933592
"1338396"	983.539607	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+DMSO+H"	79.021207
"1006923"	987.578776	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2ACN+H"	83.060376
"1528337"	988.572408	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+IsoProp+Na+H"	84.054008
"992597"	494.293026	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+2ACN+2H"	84.067652
"1596944"	989.487028	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+K+HCOOH"	84.968628
"1427715"	1019.518538	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+H+CF3COOH"	115.000138
"1161645"	514.806301	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+3ACN+2H"	125.094202
"1711195"	1036.545085	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+NH4+CF3COOH"	132.026685
"1649724"	1041.50048	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+Na+CF3COOH"	136.98208
"1584684"	1057.47442	"C11976"	"Avermectin A2a;Avermectin A1a 2223-dihydro-23-hydroxy- (23S)-"	"C49H76O15"	"904.5184"	"M+K+CF3COOH"	152.95602
"805207"	568.34	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M"	0
"975822"	549.32161	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-H2O-H"	-19.01839
"64796"	377.886057333333	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M-3H"	-3.021828
"503174"	567.332724	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M-3H"	-3.021828
"882525"	188.439390666667	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-3H"	-3.021828
"2555"	567.332724	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M-2H"	-2.014552
"443941"	851.502724	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M-2H"	-2.014552
"824660"	283.162724	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-2H"	-2.014552
"80276"	1135.672724	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M-H"	-1.007276
"522025"	1704.012724	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M-H"	-1.007276
"896665"	567.332724	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-H"	-1.007276
"48737"	1152.699271	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M-2H+NH4"	16.019271
"487361"	1721.039271	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M-2H+NH4"	16.019271
"871571"	584.359271	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-2H+NH4"	16.019271
"40569"	1157.654666	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M-2H+Na"	20.974666
"480128"	1725.994666	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M-2H+Na"	20.974666
"857934"	589.314666	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-2H+Na"	20.974666
"1628564"	589.314666	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Na-2H"	20.974666
"103998"	585.321063	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M-H+Cl"	33.962126
"542466"	869.491063	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M-H+Cl"	33.962126
"933792"	301.151063	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-H+Cl"	33.962126
"273442"	1171.649402	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+Cl"	34.969402
"664770"	1739.989402	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+Cl"	34.969402
"1279362"	603.309402	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Cl"	34.969402
"29575"	1173.628606	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M-2H+K"	36.948606
"466949"	1741.968606	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M-2H+K"	36.948606
"843662"	605.288606	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-2H+K"	36.948606
"1558402"	605.288606	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+K-2H"	36.948606
"954674"	613.338194	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-H+HCOOH"	44.998194
"372158"	1181.678201	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+HCOOH-H"	44.998201
"356041"	1195.693851	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+Hac-H"	59.013851
"1501594"	627.353851	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Hac-H"	59.013851
"968043"	635.320151	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-H+NaCOOH"	66.980151
"118043"	603.309402	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+2Cl"	69.938804
"559789"	887.479402	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+2Cl"	69.938804
"1032965"	319.139402	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2Cl"	69.938804
"1250358"	647.258885	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Br"	78.918885
"1311712"	649.314872	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Cl+HCOOH"	80.974872
"1323742"	671.296829	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Cl+NaCOOH"	102.956829
"915893"	681.325586	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M-H+CF3COOH"	112.985586
"1296976"	717.302264	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Cl+CF3COOH"	148.962264
"1372952"	533.327324	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H-2H2O"	-35.012676
"1394825"	551.3373	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H-H2O"	-17.0027
"293419"	1137.687276	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+H"	1.007276
"686934"	1706.027276	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+H"	1.007276
"1363284"	569.347276	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H"	1.007276
"136172"	569.347276	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+2H"	2.014552
"574637"	853.517276	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+2H"	2.014552
"1047810"	285.177276	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2H"	2.014552
"211336"	379.900609333333	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+3H"	3.021828
"647616"	569.347276	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+3H"	3.021828
"1169022"	190.453942666667	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+3H"	3.021828
"427919"	1154.713823	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+NH4"	18.033823
"790006"	1723.053823	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+NH4"	18.033823
"1688525"	586.373823	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+NH4"	18.033823
"337896"	577.8605495	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+H+NH4"	19.041099
"731410"	862.0305495	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+H+NH4"	19.041099
"1486322"	293.6905495	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H+NH4"	19.041099
"396619"	1159.669218	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+Na"	22.989218
"761626"	1728.009218	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+Na"	22.989218
"1608630"	591.329218	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Na"	22.989218
"317579"	580.338247	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+H+Na"	23.996494
"713287"	864.508247	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+H+Na"	23.996494
"1462856"	296.168247	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H+Na"	23.996494
"1055979"	197.781256666667	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2H+Na"	25.00377
"1260938"	601.373486	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+CH3OH+H"	33.033486
"390816"	1175.643158	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+K"	38.963158
"745985"	1743.983158	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+K"	38.963158
"1549127"	607.303158	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+K"	38.963158
"308492"	588.325217	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+H+K"	39.970434
"703462"	872.495217	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+H+K"	39.970434
"1453638"	304.155217	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H+K"	39.970434
"243334"	1178.713826	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+ACN+H"	42.033826
"1217135"	610.373826	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+ACN+H"	42.033826
"1205031"	305.690551	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+ACN+2H"	43.041102
"196077"	1181.65116	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+2Na-H"	44.97116
"632721"	1749.99116	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+2Na-H"	44.97116
"1141331"	613.31116	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2Na-H"	44.97116
"184624"	591.329218	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+2Na"	45.978436
"615067"	875.499218	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+2Na"	45.978436
"1126595"	307.159218	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2Na"	45.978436
"1409025"	205.108570666667	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H+2Na"	46.985712
"1441145"	615.352746	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H+HCOOH"	47.012746
"229746"	596.36224	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+3H2O+2H"	56.04448
"1519630"	629.40479	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+IsoProp+H"	61.06479
"419318"	599.316188	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+Na+K"	61.952376
"778492"	883.486188	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+Na+K"	61.952376
"1671541"	315.146188	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Na+K"	61.952376
"255872"	1200.695768	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+ACN+Na"	64.015768
"1225644"	632.355768	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+ACN+Na"	64.015768
"1712869"	632.379293	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+NH4+HCOOH"	64.039293
"1179297"	212.435884666667	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+3Na"	68.967654
"1650884"	637.334688	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Na+HCOOH"	68.994688
"161035"	1213.59904	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+2K-H"	76.91904
"597282"	1781.93904	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+2K-H"	76.91904
"1085104"	645.25904	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2K-H"	76.91904
"143384"	607.303158	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"2M+2K"	77.926316
"583061"	891.473158	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"3M+2K"	77.926316
"1071466"	323.133158	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2K"	77.926316
"1103578"	647.273592	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2K+H"	78.933592
"1336806"	647.361207	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+DMSO+H"	79.021207
"1010316"	651.400376	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2ACN+H"	83.060376
"1527354"	652.394008	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+IsoProp+Na+H"	84.054008
"992707"	326.203826	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+2ACN+2H"	84.067652
"1597054"	653.308628	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+K+HCOOH"	84.968628
"1428188"	683.340138	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+H+CF3COOH"	115.000138
"1162484"	346.717101	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+3ACN+2H"	125.094202
"1711305"	700.366685	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+NH4+CF3COOH"	132.026685
"1646956"	705.32208	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+Na+CF3COOH"	136.98208
"1584794"	721.29602	"C11977"	"68a-Seco-68a-deoxy-5-oxoavermectin 1a aglycone"	"C34H48O7"	"568.34"	"M+K+CF3COOH"	152.95602
"816741"	582.3193	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M"	0
"982130"	563.30091	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-H2O-H"	-19.01839
"68187"	387.205590666667	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M-3H"	-3.021828
"507746"	581.312024	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M-3H"	-3.021828
"884454"	193.099157333333	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-3H"	-3.021828
"4127"	581.312024	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M-2H"	-2.014552
"448061"	872.471674	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M-2H"	-2.014552
"824770"	290.152374	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-2H"	-2.014552
"80386"	1163.631324	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M-H"	-1.007276
"530519"	1745.950624	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M-H"	-1.007276
"896775"	581.312024	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-H"	-1.007276
"55409"	1180.657871	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M-2H+NH4"	16.019271
"492781"	1762.977171	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M-2H+NH4"	16.019271
"872778"	598.338571	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-2H+NH4"	16.019271
"39585"	1185.613266	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M-2H+Na"	20.974666
"482425"	1767.932566	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M-2H+Na"	20.974666
"862419"	603.293966	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-2H+Na"	20.974666
"1628674"	603.293966	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Na-2H"	20.974666
"105203"	599.300363	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M-H+Cl"	33.962126
"542576"	890.460013	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M-H+Cl"	33.962126
"930986"	308.140713	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-H+Cl"	33.962126
"275742"	1199.608002	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+Cl"	34.969402
"670349"	1781.927302	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+Cl"	34.969402
"1279107"	617.288702	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Cl"	34.969402
"30054"	1201.587206	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M-2H+K"	36.948606
"469614"	1783.906506	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M-2H+K"	36.948606
"844864"	619.267906	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-2H+K"	36.948606
"1558512"	619.267906	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+K-2H"	36.948606
"955877"	627.317494	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-H+HCOOH"	44.998194
"375550"	1209.636801	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+HCOOH-H"	44.998201
"355058"	1223.652451	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+Hac-H"	59.013851
"1505350"	641.333151	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Hac-H"	59.013851
"967059"	649.299451	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-H+NaCOOH"	66.980151
"120341"	617.288702	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+2Cl"	69.938804
"562089"	908.448352	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+2Cl"	69.938804
"1033075"	326.129052	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2Cl"	69.938804
"1250468"	661.238185	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Br"	78.918885
"1317289"	663.294172	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Cl+HCOOH"	80.974872
"1331506"	685.276129	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Cl+NaCOOH"	102.956829
"920378"	695.304886	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M-H+CF3COOH"	112.985586
"1295993"	731.281564	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Cl+CF3COOH"	148.962264
"1376342"	547.306624	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H-2H2O"	-35.012676
"1394938"	565.3166	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H-H2O"	-17.0027
"296810"	1165.645876	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+H"	1.007276
"687045"	1747.965176	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+H"	1.007276
"1366308"	583.326576	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H"	1.007276
"135186"	583.326576	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+2H"	2.014552
"573651"	874.486226	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+2H"	2.014552
"1045732"	292.166926	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2H"	2.014552
"213633"	389.220142666667	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+3H"	3.021828
"656473"	583.326576	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+3H"	3.021828
"1170224"	195.113709333333	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+3H"	3.021828
"432402"	1182.672423	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+NH4"	18.033823
"793395"	1764.991723	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+NH4"	18.033823
"1688632"	600.353123	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+NH4"	18.033823
"340191"	591.8398495	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+H+NH4"	19.041099
"731519"	882.9994995	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+H+NH4"	19.041099
"1486433"	300.6801995	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H+NH4"	19.041099
"405113"	1187.627818	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+Na"	22.989218
"760643"	1769.947118	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+Na"	22.989218
"1612021"	605.308518	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Na"	22.989218
"317689"	594.317547	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+H+Na"	23.996494
"714492"	885.477197	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+H+Na"	23.996494
"1469406"	303.157897	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H+Na"	23.996494
"1063745"	202.441023333333	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2H+Na"	25.00377
"1268706"	615.352786	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+CH3OH+H"	33.033486
"387282"	1203.601758	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+K"	38.963158
"750104"	1785.921058	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+K"	38.963158
"1551427"	621.282458	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+K"	38.963158
"311884"	602.304517	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+H+K"	39.970434
"702116"	893.464167	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+H+K"	39.970434
"1457031"	311.144867	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H+K"	39.970434
"244539"	1206.672426	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+ACN+H"	42.033826
"1218339"	624.353126	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+ACN+H"	42.033826
"1205873"	312.680201	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+ACN+2H"	43.041102
"199469"	1209.60976	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+2Na-H"	44.97116
"635748"	1791.92906	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+2Na-H"	44.97116
"1141442"	627.29046	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2Na-H"	44.97116
"183642"	605.308518	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+2Na"	45.978436
"626485"	896.468168	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+2Na"	45.978436
"1130357"	314.148868	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2Na"	45.978436
"1410232"	209.768337333333	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H+2Na"	46.985712
"1437975"	629.332046	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H+HCOOH"	47.012746
"232045"	610.34154	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+3H2O+2H"	56.04448
"1519014"	643.38409	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+IsoProp+H"	61.06479
"417608"	613.295488	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+Na+K"	61.952376
"780787"	904.455138	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+Na+K"	61.952376
"1677117"	322.135838	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Na+K"	61.952376
"259262"	1228.654368	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+ACN+Na"	64.015768
"1229057"	646.335068	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+ACN+Na"	64.015768
"1717580"	646.358593	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+NH4+HCOOH"	64.039293
"1185119"	217.095651333333	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+3Na"	68.967654
"1653917"	651.313988	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Na+HCOOH"	68.994688
"160415"	1241.55764	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+2K-H"	76.91904
"598030"	1823.87694	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+2K-H"	76.91904
"1088498"	659.23834	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2K-H"	76.91904
"152610"	621.282458	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"2M+2K"	77.926316
"589979"	912.442108	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"3M+2K"	77.926316
"1074492"	330.122808	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2K"	77.926316
"1103324"	661.252892	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2K+H"	78.933592
"1337281"	661.340507	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+DMSO+H"	79.021207
"1009334"	665.379676	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2ACN+H"	83.060376
"1531838"	666.373308	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+IsoProp+Na+H"	84.054008
"996098"	333.193476	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+2ACN+2H"	84.067652
"1598258"	667.287928	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+K+HCOOH"	84.968628
"1425016"	697.319438	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+H+CF3COOH"	115.000138
"1158583"	353.706751	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+3ACN+2H"	125.094202
"1709228"	714.345985	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+NH4+CF3COOH"	132.026685
"1643785"	719.30138	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+Na+CF3COOH"	136.98208
"1584904"	735.27532	"C11978"	"5-Oxoavermectin 1a aglycone"	"C34H46O8"	"582.3193"	"M+K+CF3COOH"	152.95602
"808707"	584.3349	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M"	0
"977865"	565.31651	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-H2O-H"	-19.01839
"70483"	388.549324	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M-3H"	-3.021828
"506761"	583.327624	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M-3H"	-3.021828
"879943"	193.771024	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-3H"	-3.021828
"3504"	583.327624	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M-2H"	-2.014552
"451451"	875.495074	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M-2H"	-2.014552
"818680"	291.160174	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-2H"	-2.014552
"79768"	1167.662524	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M-H"	-1.007276
"522245"	1751.997424	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M-H"	-1.007276
"896193"	583.327624	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-H"	-1.007276
"56612"	1184.689071	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M-2H+NH4"	16.019271
"496171"	1769.023971	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M-2H+NH4"	16.019271
"875074"	600.354171	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-2H+NH4"	16.019271
"44067"	1189.644466	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M-2H+Na"	20.974666
"485813"	1773.979366	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M-2H+Na"	20.974666
"861436"	605.309566	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-2H+Na"	20.974666
"1630609"	605.309566	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Na-2H"	20.974666
"107499"	601.315963	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M-H+Cl"	33.962126
"541594"	893.483413	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M-H+Cl"	33.962126
"935109"	309.148513	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-H+Cl"	33.962126
"275851"	1203.639202	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+Cl"	34.969402
"671553"	1787.974102	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+Cl"	34.969402
"1278489"	619.304302	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Cl"	34.969402
"29797"	1205.618406	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M-2H+K"	36.948606
"468995"	1789.953306	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M-2H+K"	36.948606
"844972"	621.283506	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-2H+K"	36.948606
"1566276"	621.283506	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+K-2H"	36.948606
"955987"	629.333094	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-H+HCOOH"	44.998194
"371286"	1213.668001	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+HCOOH-H"	44.998201
"350796"	1227.683651	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+Hac-H"	59.013851
"1501814"	643.348751	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Hac-H"	59.013851
"968264"	651.315051	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-H+NaCOOH"	66.980151
"120451"	619.304302	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+2Cl"	69.938804
"558919"	911.471752	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+2Cl"	69.938804
"1035252"	327.136852	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2Cl"	69.938804
"1248391"	663.253785	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Br"	78.918885
"1314120"	665.309772	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Cl+HCOOH"	80.974872
"1331616"	687.291729	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Cl+NaCOOH"	102.956829
"920489"	697.320486	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M-H+CF3COOH"	112.985586
"1298290"	733.297164	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Cl+CF3COOH"	148.962264
"1375359"	549.322224	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H-2H2O"	-35.012676
"1393955"	567.3322	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H-H2O"	-17.0027
"293640"	1169.677076	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+H"	1.007276
"688249"	1754.011976	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+H"	1.007276
"1364235"	585.342176	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H"	1.007276
"135297"	585.342176	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+2H"	2.014552
"575951"	877.509626	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+2H"	2.014552
"1048029"	293.174726	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2H"	2.014552
"215930"	390.563876	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+3H"	3.021828
"652211"	585.342176	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+3H"	3.021828
"1171429"	195.785576	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+3H"	3.021828
"431420"	1186.703623	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+NH4"	18.033823
"792411"	1771.038523	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+NH4"	18.033823
"1687650"	602.368723	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+NH4"	18.033823
"339209"	593.8554495	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+H+NH4"	19.041099
"733817"	886.0228995	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+H+NH4"	19.041099
"1487639"	301.6879995	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H+NH4"	19.041099
"404129"	1191.659018	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+Na"	22.989218
"761846"	1775.993918	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+Na"	22.989218
"1613224"	607.324118	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Na"	22.989218
"318892"	596.333147	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+H+Na"	23.996494
"714603"	888.500597	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+H+Na"	23.996494
"1472797"	304.165697	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H+Na"	23.996494
"1060575"	203.11289	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2H+Na"	25.00377
"1265537"	617.368386	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+CH3OH+H"	33.033486
"387392"	1207.632958	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+K"	38.963158
"748391"	1791.967858	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+K"	38.963158
"1550081"	623.298058	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+K"	38.963158
"309443"	604.320117	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+H+K"	39.970434
"704050"	896.487567	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+H+K"	39.970434
"1455685"	312.152667	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H+K"	39.970434
"247203"	1210.703626	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+ACN+H"	42.033826
"1220639"	626.368726	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+ACN+H"	42.033826
"1202336"	313.688001	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+ACN+2H"	43.041102
"199579"	1213.64096	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+2Na-H"	44.97116
"641328"	1797.97586	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+2Na-H"	44.97116
"1144832"	629.30606	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2Na-H"	44.97116
"185938"	607.324118	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+2Na"	45.978436
"626958"	899.491568	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+2Na"	45.978436
"1130828"	315.156668	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2Na"	45.978436
"1411440"	210.440204	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H+2Na"	46.985712
"1439179"	631.347646	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H+HCOOH"	47.012746
"232155"	612.35714	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+3H2O+2H"	56.04448
"1521310"	645.39969	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+IsoProp+H"	61.06479
"418812"	615.311088	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+Na+K"	61.952376
"779805"	907.478538	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+Na+K"	61.952376
"1677228"	323.143638	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Na+K"	61.952376
"259372"	1232.685568	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+ACN+Na"	64.015768
"1229167"	648.350668	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+ACN+Na"	64.015768
"1720970"	648.374193	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+NH4+HCOOH"	64.039293
"1183042"	217.767518	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+3Na"	68.967654
"1652934"	653.329588	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Na+HCOOH"	68.994688
"160525"	1245.58884	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+2K-H"	76.91904
"599720"	1829.92374	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+2K-H"	76.91904
"1085082"	661.25394	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2K-H"	76.91904
"154540"	623.298058	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"2M+2K"	77.926316
"590089"	915.465508	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"3M+2K"	77.926316
"1074602"	331.130608	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2K"	77.926316
"1102340"	663.268492	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2K+H"	78.933592
"1338729"	663.356107	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+DMSO+H"	79.021207
"1007257"	667.395276	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2ACN+H"	83.060376
"1528668"	668.388908	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+IsoProp+Na+H"	84.054008
"996208"	334.201276	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+2ACN+2H"	84.067652
"1597275"	669.303528	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+K+HCOOH"	84.968628
"1424033"	699.335038	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+H+CF3COOH"	115.000138
"1156507"	354.714551	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+3ACN+2H"	125.094202
"1706058"	716.361585	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+NH4+CF3COOH"	132.026685
"1643895"	721.31698	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+Na+CF3COOH"	136.98208
"1585014"	737.29092	"C11979"	"Avermectin B1a aglycone"	"C34H48O8"	"584.3349"	"M+K+CF3COOH"	152.95602
"805537"	598.3506	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M"	0
"974278"	579.33221	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-H2O-H"	-19.01839
"68407"	397.893124	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M-3H"	-3.021828
"506872"	597.343324	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M-3H"	-3.021828
"880034"	198.442924	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-3H"	-3.021828
"2157"	597.343324	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M-2H"	-2.014552
"450468"	896.518624	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M-2H"	-2.014552
"818790"	298.168024	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-2H"	-2.014552
"79503"	1195.693924	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M-H"	-1.007276
"520643"	1794.044524	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M-H"	-1.007276
"897597"	597.343324	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-H"	-1.007276
"54535"	1212.720471	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M-2H+NH4"	16.019271
"493001"	1811.071071	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M-2H+NH4"	16.019271
"877370"	614.369871	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-2H+NH4"	16.019271
"45270"	1217.675866	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M-2H+Na"	20.974666
"482642"	1816.026466	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M-2H+Na"	20.974666
"862639"	619.325266	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-2H+Na"	20.974666
"1631812"	619.325266	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Na-2H"	20.974666
"106515"	615.331663	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M-H+Cl"	33.962126
"546079"	914.506963	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M-H+Cl"	33.962126
"937406"	316.156363	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-H+Cl"	33.962126
"277055"	1231.670602	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+Cl"	34.969402
"671662"	1830.021202	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+Cl"	34.969402
"1276776"	633.320002	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Cl"	34.969402
"26625"	1233.649806	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M-2H+K"	36.948606
"462904"	1832.000406	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M-2H+K"	36.948606
"847270"	635.299206	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-2H+K"	36.948606
"1566386"	635.299206	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+K-2H"	36.948606
"957919"	643.348794	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-H+HCOOH"	44.998194
"376585"	1241.699401	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+HCOOH-H"	44.998201
"358563"	1255.715051	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+Hac-H"	59.013851
"1507030"	657.364451	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Hac-H"	59.013851
"971291"	665.330751	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-H+NaCOOH"	66.980151
"123479"	633.320002	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+2Cl"	69.938804
"564865"	932.495302	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+2Cl"	69.938804
"1035122"	334.144702	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2Cl"	69.938804
"1254698"	677.269485	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Br"	78.918885
"1317512"	679.325472	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Cl+HCOOH"	80.974872
"1333550"	701.307429	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Cl+NaCOOH"	102.956829
"925830"	711.336186	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M-H+CF3COOH"	112.985586
"1299494"	747.312864	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Cl+CF3COOH"	148.962264
"1381306"	563.337924	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H-2H2O"	-35.012676
"1396619"	581.3479	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H-H2O"	-17.0027
"297037"	1197.708476	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+H"	1.007276
"688366"	1796.059076	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+H"	1.007276
"1365075"	599.357876	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H"	1.007276
"139790"	599.357876	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+2H"	2.014552
"580076"	898.533176	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+2H"	2.014552
"1051789"	300.182576	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2H"	2.014552
"216042"	399.907676	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+3H"	3.021828
"654145"	599.357876	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+3H"	3.021828
"1172633"	200.457476	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+3H"	3.021828
"433717"	1214.735023	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+NH4"	18.033823
"796899"	1813.085623	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+NH4"	18.033823
"1691040"	616.384423	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+NH4"	18.033823
"337132"	607.8711495	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+H+NH4"	19.041099
"732834"	907.0464495	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+H+NH4"	19.041099
"1485563"	308.6958495	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H+NH4"	19.041099
"404240"	1219.690418	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+Na"	22.989218
"761956"	1818.041018	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+Na"	22.989218
"1612240"	621.339818	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Na"	22.989218
"316814"	610.348847	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+H+Na"	23.996494
"720181"	909.524147	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+H+Na"	23.996494
"1472907"	311.173547	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H+Na"	23.996494
"1064696"	207.78479	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2H+Na"	25.00377
"1266740"	631.384086	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+CH3OH+H"	33.033486
"388595"	1235.664358	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+K"	38.963158
"750688"	1834.014958	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+K"	38.963158
"1552378"	637.313758	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+K"	38.963158
"311741"	618.335817	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+H+K"	39.970434
"705982"	917.511117	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+H+K"	39.970434
"1457252"	319.160517	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H+K"	39.970434
"246947"	1238.735026	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+ACN+H"	42.033826
"1221843"	640.384426	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+ACN+H"	42.033826
"1205725"	320.695851	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+ACN+2H"	43.041102
"195315"	1241.67236	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+2Na-H"	44.97116
"642530"	1840.02296	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+2Na-H"	44.97116
"1142755"	643.32176	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2Na-H"	44.97116
"187992"	621.339818	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+2Na"	45.978436
"628280"	920.515118	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+2Na"	45.978436
"1128018"	322.164518	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2Na"	45.978436
"1413365"	215.112104	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H+2Na"	46.985712
"1443661"	645.363346	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H+HCOOH"	47.012746
"234815"	626.37284	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+3H2O+2H"	56.04448
"1522757"	659.41539	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+IsoProp+H"	61.06479
"422199"	629.326788	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+Na+K"	61.952376
"779915"	928.502088	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+Na+K"	61.952376
"1675151"	330.151488	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Na+K"	61.952376
"259482"	1260.716968	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+ACN+Na"	64.015768
"1226237"	662.366368	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+ACN+Na"	64.015768
"1718892"	662.389893	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+NH4+HCOOH"	64.039293
"1182787"	222.439418	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+3Na"	68.967654
"1653408"	667.345288	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Na+HCOOH"	68.994688
"160635"	1273.62024	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+2K-H"	76.91904
"599101"	1871.97084	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+2K-H"	76.91904
"1084946"	675.26964	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2K-H"	76.91904
"153921"	637.313758	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"2M+2K"	77.926316
"586919"	936.489058	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"3M+2K"	77.926316
"1074712"	338.138458	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2K"	77.926316
"1101721"	677.284192	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2K+H"	78.933592
"1337746"	677.371807	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+DMSO+H"	79.021207
"1007488"	681.410976	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2ACN+H"	83.060376
"1528778"	682.404608	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+IsoProp+Na+H"	84.054008
"996318"	341.209126	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+2ACN+2H"	84.067652
"1596291"	683.319228	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+K+HCOOH"	84.968628
"1423050"	713.350738	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+H+CF3COOH"	115.000138
"1157710"	361.722401	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+3ACN+2H"	125.094202
"1706168"	730.377285	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+NH4+CF3COOH"	132.026685
"1644005"	735.33268	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+Na+CF3COOH"	136.98208
"1585124"	751.30662	"C11980"	"Avermectin A1a aglycone"	"C35H50O8"	"598.3506"	"M+K+CF3COOH"	152.95602
"805647"	728.4136	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M"	0
"975898"	709.39521	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-H2O-H"	-19.01839
"68517"	484.601790666667	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M-3H"	-3.021828
"508075"	727.406324	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M-3H"	-3.021828
"880200"	241.797257333333	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-3H"	-3.021828
"2268"	727.406324	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H"	-2.014552
"444016"	1091.613124	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H"	-2.014552
"817565"	363.199524	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-2H"	-2.014552
"78639"	1455.819924	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M-H"	-1.007276
"519172"	2184.233524	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M-H"	-1.007276
"899163"	727.406324	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-H"	-1.007276
"48325"	1472.846471	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H+NH4"	16.019271
"487128"	2201.260071	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H+NH4"	16.019271
"878576"	744.432871	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-2H+NH4"	16.019271
"45382"	1477.801866	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H+Na"	20.974666
"482752"	2206.215466	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H+Na"	20.974666
"862749"	749.388266	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-2H+Na"	20.974666
"1631189"	749.388266	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Na-2H"	20.974666
"106625"	745.394663	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M-H+Cl"	33.962126
"546189"	1109.601463	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M-H+Cl"	33.962126
"937516"	381.187863	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-H+Cl"	33.962126
"278260"	1491.796602	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+Cl"	34.969402
"669586"	2220.210202	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+Cl"	34.969402
"1278709"	763.383002	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl"	34.969402
"26735"	1493.775806	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M-2H+K"	36.948606
"460828"	2222.189406	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M-2H+K"	36.948606
"847381"	765.362206	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-2H+K"	36.948606
"1567589"	765.362206	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+K-2H"	36.948606
"956935"	773.411794	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-H+HCOOH"	44.998194
"375150"	1501.825401	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+HCOOH-H"	44.998201
"361110"	1515.841051	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+Hac-H"	59.013851
"1508115"	787.427451	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Hac-H"	59.013851
"973955"	795.393751	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-H+NaCOOH"	66.980151
"124321"	763.383002	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+2Cl"	69.938804
"563880"	1127.589802	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+2Cl"	69.938804
"1035599"	399.176202	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2Cl"	69.938804
"1254080"	807.332485	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Br"	78.918885
"1317622"	809.388472	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl+HCOOH"	80.974872
"1333660"	831.370429	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl+NaCOOH"	102.956829
"925090"	841.399186	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M-H+CF3COOH"	112.985586
"1300698"	877.375864	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Cl+CF3COOH"	148.962264
"1379593"	693.400924	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H-2H2O"	-35.012676
"1396003"	711.4109	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H-H2O"	-17.0027
"296783"	1457.834476	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+H"	1.007276
"688112"	2186.248076	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+H"	1.007276
"1362271"	729.420876	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H"	1.007276
"138806"	729.420876	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+2H"	2.014552
"578730"	1093.627676	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+2H"	2.014552
"1050444"	365.214076	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2H"	2.014552
"216520"	486.616342666667	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+3H"	3.021828
"654618"	729.420876	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+3H"	3.021828
"1173836"	243.811809333333	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+3H"	3.021828
"432733"	1474.861023	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+NH4"	18.033823
"795916"	2203.274623	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+NH4"	18.033823
"1690057"	746.447423	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+NH4"	18.033823
"338335"	737.9341495	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+H+NH4"	19.041099
"734037"	1102.1409495	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+H+NH4"	19.041099
"1486766"	373.7273495	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H+NH4"	19.041099
"407145"	1479.816418	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+Na"	22.989218
"766439"	2208.230018	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+Na"	22.989218
"1613443"	751.402818	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Na"	22.989218
"318018"	740.411847	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+H+Na"	23.996494
"719927"	1104.618647	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+H+Na"	23.996494
"1475204"	376.205047	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H+Na"	23.996494
"1065535"	251.139123333333	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2H+Na"	25.00377
"1266850"	761.447086	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+CH3OH+H"	33.033486
"387612"	1495.790358	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+K"	38.963158
"751891"	2224.203958	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+K"	38.963158
"1555365"	767.376758	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+K"	38.963158
"314126"	748.398817	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+H+K"	39.970434
"706699"	1112.605617	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+H+K"	39.970434
"1460278"	384.192017	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H+K"	39.970434
"249244"	1498.861026	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+ACN+H"	42.033826
"1219764"	770.447426	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+ACN+H"	42.033826
"1208022"	385.727351	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+ACN+2H"	43.041102
"199799"	1501.79836	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+2Na-H"	44.97116
"643249"	2230.21196	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+2Na-H"	44.97116
"1141772"	773.38476	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2Na-H"	44.97116
"187860"	751.402818	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+2Na"	45.978436
"627786"	1115.609618	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+2Na"	45.978436
"1128128"	387.196018	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2Na"	45.978436
"1413600"	258.466437333333	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H+2Na"	46.985712
"1437206"	775.426346	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H+HCOOH"	47.012746
"229092"	756.43584	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+3H2O+2H"	56.04448
"1520435"	789.47839	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+IsoProp+H"	61.06479
"417935"	759.389788	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+Na+K"	61.952376
"780025"	1123.596588	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+Na+K"	61.952376
"1676356"	395.182988	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Na+K"	61.952376
"259592"	1520.842968	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+ACN+Na"	64.015768
"1228293"	792.429368	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+ACN+Na"	64.015768
"1718638"	792.452893	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+NH4+HCOOH"	64.039293
"1182897"	265.793751333333	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+3Na"	68.967654
"1650480"	797.408288	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Na+HCOOH"	68.994688
"158559"	1533.74624	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+2K-H"	76.91904
"599211"	2262.15984	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+2K-H"	76.91904
"1084653"	805.33264	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2K-H"	76.91904
"141996"	767.376758	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"2M+2K"	77.926316
"584839"	1131.583558	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"3M+2K"	77.926316
"1070444"	403.169958	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2K"	77.926316
"1102559"	807.347192	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2K+H"	78.933592
"1336884"	807.434807	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+DMSO+H"	79.021207
"1008570"	811.473976	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2ACN+H"	83.060376
"1528888"	812.467608	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+IsoProp+Na+H"	84.054008
"995335"	406.240626	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+2ACN+2H"	84.067652
"1596401"	813.382228	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+K+HCOOH"	84.968628
"1425347"	843.413738	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+H+CF3COOH"	115.000138
"1157820"	426.753901	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+3ACN+2H"	125.094202
"1709558"	860.440285	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+NH4+CF3COOH"	132.026685
"1644115"	865.39568	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+Na+CF3COOH"	136.98208
"1585234"	881.36962	"C11981"	"Avermectin B1a monosaccharide"	"C41H60O11"	"728.4136"	"M+K+CF3COOH"	152.95602
"805757"	742.4292	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M"	0
"977102"	723.41081	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-H2O-H"	-19.01839
"71907"	493.945524	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M-3H"	-3.021828
"508185"	741.421924	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M-3H"	-3.021828
"880516"	246.469124	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-3H"	-3.021828
"4564"	741.421924	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M-2H"	-2.014552
"443033"	1112.636524	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M-2H"	-2.014552
"817675"	370.207324	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-2H"	-2.014552
"79277"	1483.851124	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M-H"	-1.007276
"521472"	2226.280324	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M-H"	-1.007276
"899275"	741.421924	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-H"	-1.007276
"47574"	1500.877671	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M-2H+NH4"	16.019271
"487499"	2243.306871	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M-2H+NH4"	16.019271
"868839"	758.448471	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-2H+NH4"	16.019271
"37833"	1505.833066	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M-2H+Na"	20.974666
"480674"	2248.262266	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M-2H+Na"	20.974666
"859578"	763.403866	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-2H+Na"	20.974666
"1631178"	763.403866	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Na-2H"	20.974666
"105641"	759.410263	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M-H+Cl"	33.962126
"545203"	1130.624863	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M-H+Cl"	33.962126
"938353"	388.195663	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-H+Cl"	33.962126
"272900"	1519.827802	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+Cl"	34.969402
"671882"	2262.257002	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+Cl"	34.969402
"1279912"	777.398602	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Cl"	34.969402
"16636"	1521.807006	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M-2H+K"	36.948606
"460938"	2264.236206	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M-2H+K"	36.948606
"842021"	779.377806	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-2H+K"	36.948606
"1562231"	779.377806	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+K-2H"	36.948606
"950118"	787.427394	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-H+HCOOH"	44.998194
"372706"	1529.856601	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+HCOOH-H"	44.998201
"356958"	1543.872251	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+Hac-H"	59.013851
"1506156"	801.443051	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Hac-H"	59.013851
"972969"	809.409351	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-H+NaCOOH"	66.980151
"122608"	777.398602	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+2Cl"	69.938804
"563623"	1148.613202	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+2Cl"	69.938804
"1035950"	406.184002	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2Cl"	69.938804
"1250906"	821.348085	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Br"	78.918885
"1316639"	823.404072	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Cl+HCOOH"	80.974872
"1333041"	845.386029	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Cl+NaCOOH"	102.956829
"926292"	855.414786	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M-H+CF3COOH"	112.985586
"1299715"	891.391464	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Cl+CF3COOH"	148.962264
"1380796"	707.416524	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H-2H2O"	-35.012676
"1396841"	725.4265	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H-H2O"	-17.0027
"295798"	1485.865676	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+H"	1.007276
"687491"	2228.294876	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+H"	1.007276
"1362380"	743.436476	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H"	1.007276
"139645"	743.436476	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+2H"	2.014552
"578839"	1114.651076	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+2H"	2.014552
"1050797"	372.221876	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2H"	2.014552
"216630"	495.960076	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+3H"	3.021828
"653635"	743.436476	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+3H"	3.021828
"1169573"	248.483676	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+3H"	3.021828
"432844"	1502.892223	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+NH4"	18.033823
"796025"	2245.321423	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+NH4"	18.033823
"1691260"	760.463023	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+NH4"	18.033823
"338445"	751.9497495	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+H+NH4"	19.041099
"731961"	1123.1643495	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+H+NH4"	19.041099
"1486876"	380.7351495	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H+NH4"	19.041099
"406892"	1507.847618	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+Na"	22.989218
"764362"	2250.276818	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+Na"	22.989218
"1613552"	765.418418	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Na"	22.989218
"319221"	754.427447	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+H+Na"	23.996494
"718216"	1125.642047	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+H+Na"	23.996494
"1473857"	383.212847	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H+Na"	23.996494
"1063459"	255.81099	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2H+Na"	25.00377
"1263681"	775.462686	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+CH3OH+H"	33.033486
"388451"	1523.821558	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+K"	38.963158
"752001"	2266.250758	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+K"	38.963158
"1554664"	781.392358	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+K"	38.963158
"313662"	762.414417	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+H+K"	39.970434
"705716"	1133.629017	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+H+K"	39.970434
"1457473"	391.199817	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H+K"	39.970434
"249233"	1526.892226	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+ACN+H"	42.033826
"1219874"	784.463026	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+ACN+H"	42.033826
"1207039"	392.735151	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+ACN+2H"	43.041102
"201002"	1529.82956	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+2Na-H"	44.97116
"642629"	2272.25876	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+2Na-H"	44.97116
"1141882"	787.40036	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2Na-H"	44.97116
"187608"	765.418418	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+2Na"	45.978436
"627529"	1136.633018	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+2Na"	45.978436
"1127145"	394.203818	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2Na"	45.978436
"1412614"	263.138304	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H+2Na"	46.985712
"1437316"	789.441946	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H+HCOOH"	47.012746
"229202"	770.45144	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+3H2O+2H"	56.04448
"1518358"	803.49399	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+IsoProp+H"	61.06479
"416952"	773.405388	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+Na+K"	61.952376
"774302"	1144.619988	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+Na+K"	61.952376
"1672091"	402.190788	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Na+K"	61.952376
"258973"	1548.874168	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+ACN+Na"	64.015768
"1225850"	806.444968	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+ACN+Na"	64.015768
"1718748"	806.468493	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+NH4+HCOOH"	64.039293
"1181914"	270.465618	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+3Na"	68.967654
"1652535"	811.423888	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Na+HCOOH"	68.994688
"158669"	1561.77744	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+2K-H"	76.91904
"597374"	2304.20664	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+2K-H"	76.91904
"1084398"	819.34824	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2K-H"	76.91904
"143195"	781.392358	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"2M+2K"	77.926316
"583127"	1152.606958	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"3M+2K"	77.926316
"1072741"	410.177758	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2K"	77.926316
"1101210"	821.362792	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2K+H"	78.933592
"1336873"	821.450407	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+DMSO+H"	79.021207
"1006494"	825.489576	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2ACN+H"	83.060376
"1527905"	826.483208	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+IsoProp+Na+H"	84.054008
"995445"	413.248426	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+2ACN+2H"	84.067652
"1594324"	827.397828	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+K+HCOOH"	84.968628
"1426550"	857.429338	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+H+CF3COOH"	115.000138
"1156837"	433.761701	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+3ACN+2H"	125.094202
"1709668"	874.455885	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+NH4+CF3COOH"	132.026685
"1644225"	879.41128	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+Na+CF3COOH"	136.98208
"1585344"	895.38522	"C11982"	"Avermectin A1a monosaccharide"	"C42H62O11"	"742.4292"	"M+K+CF3COOH"	152.95602
"802587"	872.4922	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M"	0
"974537"	853.47381	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-H2O-H"	-19.01839
"68737"	580.654190666667	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M-3H"	-3.021828
"505015"	871.484924	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M-3H"	-3.021828
"880301"	289.823457333333	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-3H"	-3.021828
"1514"	871.484924	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M-2H"	-2.014552
"445329"	1307.731024	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M-2H"	-2.014552
"819850"	435.238824	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-2H"	-2.014552
"79473"	1743.977124	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M-H"	-1.007276
"521584"	2616.469324	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M-H"	-1.007276
"898414"	871.484924	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-H"	-1.007276
"48172"	1761.003671	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M-2H+NH4"	16.019271
"489308"	2633.495871	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M-2H+NH4"	16.019271
"864814"	888.511471	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-2H+NH4"	16.019271
"32471"	1765.959066	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M-2H+Na"	20.974666
"473130"	2638.451266	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M-2H+Na"	20.974666
"862971"	893.466866	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-2H+Na"	20.974666
"1632505"	893.466866	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Na-2H"	20.974666
"108667"	889.473263	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M-H+Cl"	33.962126
"545313"	1325.719363	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M-H+Cl"	33.962126
"940772"	453.227163	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-H+Cl"	33.962126
"276290"	1779.953802	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+Cl"	34.969402
"674549"	2652.446002	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+Cl"	34.969402
"1285490"	907.461602	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Cl"	34.969402
"23672"	1781.933006	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M-2H+K"	36.948606
"467608"	2654.425206	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M-2H+K"	36.948606
"844317"	909.440806	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-2H+K"	36.948606
"1560154"	909.440806	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+K-2H"	36.948606
"944754"	917.490394	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-H+HCOOH"	44.998194
"371723"	1789.982601	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+HCOOH-H"	44.998201
"357796"	1803.998251	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+Hac-H"	59.013851
"1506266"	931.506051	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Hac-H"	59.013851
"972959"	939.472351	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-H+NaCOOH"	66.980151
"122718"	907.461602	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+2Cl"	69.938804
"563977"	1343.707702	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+2Cl"	69.938804
"1035937"	471.215502	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2Cl"	69.938804
"1254296"	951.411085	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Br"	78.918885
"1316749"	953.467072	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Cl+HCOOH"	80.974872
"1333151"	975.449029	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Cl+NaCOOH"	102.956829
"924941"	985.477786	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M-H+CF3COOH"	112.985586
"1302863"	1021.454464	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Cl+CF3COOH"	148.962264
"1381635"	837.479524	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H-2H2O"	-35.012676
"1395128"	855.4895	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H-H2O"	-17.0027
"296273"	1745.991676	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+H"	1.007276
"685777"	2618.483876	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+H"	1.007276
"1362856"	873.499476	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H"	1.007276
"138298"	873.499476	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+2H"	2.014552
"577853"	1309.745576	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+2H"	2.014552
"1050296"	437.253376	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2H"	2.014552
"216372"	582.668742666667	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+3H"	3.021828
"652651"	873.499476	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+3H"	3.021828
"1171868"	291.838009333333	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+3H"	3.021828
"436233"	1763.018223	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+NH4"	18.033823
"797228"	2635.510423	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+NH4"	18.033823
"1692464"	890.526023	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+NH4"	18.033823
"337462"	882.0127495	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+H+NH4"	19.041099
"734258"	1318.2588495	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+H+NH4"	19.041099
"1486985"	445.7666495	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H+NH4"	19.041099
"402383"	1767.973618	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+Na"	22.989218
"757911"	2640.465818	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+Na"	22.989218
"1607101"	895.481418	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Na"	22.989218
"318599"	884.490447	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+H+Na"	23.996494
"716140"	1320.736547	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+H+Na"	23.996494
"1472145"	448.244347	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H+Na"	23.996494
"1064298"	299.165323333333	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2H+Na"	25.00377
"1267070"	905.525686	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+CH3OH+H"	33.033486
"387827"	1783.947558	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+K"	38.963158
"751384"	2656.439758	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+K"	38.963158
"1550523"	911.455358	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+K"	38.963158
"311342"	892.477417	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+H+K"	39.970434
"704491"	1328.723517	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+H+K"	39.970434
"1457220"	456.231317	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H+K"	39.970434
"248007"	1787.018226	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+ACN+H"	42.033826
"1219985"	914.526026	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+ACN+H"	42.033826
"1206057"	457.766651	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+ACN+2H"	43.041102
"201112"	1789.95556	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+2Na-H"	44.97116
"641768"	2662.44776	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+2Na-H"	44.97116
"1141992"	917.46336	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2Na-H"	44.97116
"186381"	895.481418	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+2Na"	45.978436
"626912"	1331.727518	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+2Na"	45.978436
"1125068"	459.235318	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2Na"	45.978436
"1411872"	306.492637333333	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H+2Na"	46.985712
"1436333"	919.504946	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H+HCOOH"	47.012746
"229312"	900.51444	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+3H2O+2H"	56.04448
"1516281"	933.55699	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+IsoProp+H"	61.06479
"419249"	903.468388	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+Na+K"	61.952376
"776599"	1339.714488	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+Na+K"	61.952376
"1672929"	467.222288	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Na+K"	61.952376
"256896"	1809.000168	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+ACN+Na"	64.015768
"1228877"	936.507968	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+ACN+Na"	64.015768
"1714848"	936.531493	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+NH4+HCOOH"	64.039293
"1179836"	313.819951333333	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+3Na"	68.967654
"1650498"	941.486888	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Na+HCOOH"	68.994688
"158050"	1821.90344	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+2K-H"	76.91904
"597121"	2694.39564	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+2K-H"	76.91904
"1084212"	949.41124	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2K-H"	76.91904
"142697"	911.455358	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"2M+2K"	77.926316
"581656"	1347.701458	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"3M+2K"	77.926316
"1069570"	475.209258	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2K"	77.926316
"1100225"	951.425792	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2K+H"	78.933592
"1336486"	951.513407	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+DMSO+H"	79.021207
"1007697"	955.552576	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2ACN+H"	83.060376
"1528015"	956.546208	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+IsoProp+Na+H"	84.054008
"993368"	478.279926	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+2ACN+2H"	84.067652
"1595527"	957.460828	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+K+HCOOH"	84.968628
"1429821"	987.492338	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+H+CF3COOH"	115.000138
"1156947"	498.793201	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+3ACN+2H"	125.094202
"1709778"	1004.518885	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+NH4+CF3COOH"	132.026685
"1644335"	1009.47428	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+Na+CF3COOH"	136.98208
"1585454"	1025.44822	"C11983"	"Avermectin B1a"	"C48H72O14"	"872.4922"	"M+K+CF3COOH"	152.95602
"803790"	886.5079	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M"	0
"974526"	867.48951	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-H2O-H"	-19.01839
"68847"	589.997990666667	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M-3H"	-3.021828
"506218"	885.500624	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M-3H"	-3.021828
"881588"	294.495357333333	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-3H"	-3.021828
"3689"	885.500624	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M-2H"	-2.014552
"445440"	1328.754574	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M-2H"	-2.014552
"817690"	442.246674	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-2H"	-2.014552
"80796"	1772.008524	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M-H"	-1.007276
"521693"	2658.516424	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M-H"	-1.007276
"897674"	885.500624	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-H"	-1.007276
"49493"	1789.035071	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M-2H+NH4"	16.019271
"488691"	2675.542971	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M-2H+NH4"	16.019271
"866507"	902.527171	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-2H+NH4"	16.019271
"31846"	1793.990466	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M-2H+Na"	20.974666
"473240"	2680.498366	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M-2H+Na"	20.974666
"862959"	907.482566	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-2H+Na"	20.974666
"1633587"	907.482566	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Na-2H"	20.974666
"109713"	903.488963	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M-H+Cl"	33.962126
"544330"	1346.742913	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M-H+Cl"	33.962126
"937844"	460.235013	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-H+Cl"	33.962126
"276400"	1807.985202	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+Cl"	34.969402
"674897"	2694.493102	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+Cl"	34.969402
"1285601"	921.477302	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Cl"	34.969402
"22689"	1809.964406	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M-2H+K"	36.948606
"467718"	2696.472306	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M-2H+K"	36.948606
"843334"	923.456506	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-2H+K"	36.948606
"1558077"	923.456506	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+K-2H"	36.948606
"944135"	931.506094	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-H+HCOOH"	44.998194
"366366"	1818.014001	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+HCOOH-H"	44.998201
"353532"	1832.029651	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+Hac-H"	59.013851
"1501270"	945.521751	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Hac-H"	59.013851
"972824"	953.488051	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-H+NaCOOH"	66.980151
"123921"	921.477302	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+2Cl"	69.938804
"562750"	1364.731252	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+2Cl"	69.938804
"1036411"	478.223352	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2Cl"	69.938804
"1256595"	965.426785	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Br"	78.918885
"1318317"	967.482772	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Cl+HCOOH"	80.974872
"1333260"	989.464729	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Cl+NaCOOH"	102.956829
"925781"	999.493486	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M-H+CF3COOH"	112.985586
"1302122"	1035.470164	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Cl+CF3COOH"	148.962264
"1380650"	851.495224	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H-2H2O"	-35.012676
"1397790"	869.5052	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H-H2O"	-17.0027
"296382"	1774.023076	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+H"	1.007276
"687344"	2660.530976	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+H"	1.007276
"1362964"	887.515176	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H"	1.007276
"139865"	887.515176	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+2H"	2.014552
"578330"	1330.769126	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+2H"	2.014552
"1050406"	444.261226	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2H"	2.014552
"216482"	592.012542666667	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+3H"	3.021828
"651668"	887.515176	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+3H"	3.021828
"1171978"	296.509909333333	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+3H"	3.021828
"437436"	1791.049623	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+NH4"	18.033823
"796244"	2677.557523	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+NH4"	18.033823
"1692574"	904.541723	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+NH4"	18.033823
"338666"	896.0284495	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+H+NH4"	19.041099
"732181"	1339.2823995	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+H+NH4"	19.041099
"1489282"	452.7744995	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H+NH4"	19.041099
"405774"	1796.005018	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+Na"	22.989218
"762395"	2682.512918	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+Na"	22.989218
"1610492"	909.497118	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Na"	22.989218
"317616"	898.506147	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+H+Na"	23.996494
"719529"	1341.760097	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+H+Na"	23.996494
"1468972"	455.252197	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H+Na"	23.996494
"1058938"	303.837223333333	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2H+Na"	25.00377
"1267175"	919.541386	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+CH3OH+H"	33.033486
"384657"	1811.978958	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+K"	38.963158
"752587"	2698.486858	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+K"	38.963158
"1552819"	925.471058	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+K"	38.963158
"312789"	906.493117	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+H+K"	39.970434
"705329"	1349.747067	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+H+K"	39.970434
"1455508"	463.239167	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H+K"	39.970434
"248117"	1815.049626	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+ACN+H"	42.033826
"1221188"	928.541726	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+ACN+H"	42.033826
"1207261"	464.774501	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+ACN+2H"	43.041102
"201222"	1817.98696	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+2Na-H"	44.97116
"642365"	2704.49486	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+2Na-H"	44.97116
"1143195"	931.47906	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2Na-H"	44.97116
"186978"	909.497118	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+2Na"	45.978436
"626900"	1352.751068	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+2Na"	45.978436
"1125178"	466.243168	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2Na"	45.978436
"1412106"	311.164537333333	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H+2Na"	46.985712
"1435349"	933.520646	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H+HCOOH"	47.012746
"225048"	914.53014	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+3H2O+2H"	56.04448
"1516391"	947.57269	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+IsoProp+H"	61.06479
"419359"	917.484088	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+Na+K"	61.952376
"776345"	1360.738038	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+Na+K"	61.952376
"1672675"	474.230138	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Na+K"	61.952376
"258829"	1837.031568	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+ACN+Na"	64.015768
"1228987"	950.523668	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+ACN+Na"	64.015768
"1714958"	950.547193	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+NH4+HCOOH"	64.039293
"1180675"	318.491851333333	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+3Na"	68.967654
"1653484"	955.502588	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Na+HCOOH"	68.994688
"157195"	1849.93484	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+2K-H"	76.91904
"597475"	2736.44274	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+2K-H"	76.91904
"1087699"	963.42694	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2K-H"	76.91904
"144143"	925.471058	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"2M+2K"	77.926316
"581765"	1368.725008	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"3M+2K"	77.926316
"1070409"	482.217108	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2K"	77.926316
"1102032"	965.441492	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2K+H"	78.933592
"1337930"	965.529107	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+DMSO+H"	79.021207
"1006099"	969.568276	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2ACN+H"	83.060376
"1528125"	970.561908	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+IsoProp+Na+H"	84.054008
"993478"	485.287776	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+2ACN+2H"	84.067652
"1596730"	971.476528	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+K+HCOOH"	84.968628
"1429532"	1001.508038	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+H+CF3COOH"	115.000138
"1157057"	505.801051	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+3ACN+2H"	125.094202
"1706607"	1018.534585	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+NH4+CF3COOH"	132.026685
"1644445"	1023.48998	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+Na+CF3COOH"	136.98208
"1585564"	1039.46392	"C11984"	"Avermectin A1a"	"C49H74O14"	"886.5079"	"M+K+CF3COOH"	152.95602
"802807"	876.5559	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M"	0
"975245"	857.53751	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-H2O-H"	-19.01839
"68957"	583.363324	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M-3H"	-3.021828
"506329"	875.548624	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M-3H"	-3.021828
"885222"	291.178024	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-3H"	-3.021828
"2706"	875.548624	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M-2H"	-2.014552
"445550"	1313.826574	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M-2H"	-2.014552
"820071"	437.270674	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-2H"	-2.014552
"80546"	1752.104524	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M-H"	-1.007276
"519741"	2628.660424	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M-H"	-1.007276
"897784"	875.548624	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-H"	-1.007276
"48147"	1769.131071	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M-2H+NH4"	16.019271
"488804"	2645.686971	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M-2H+NH4"	16.019271
"864586"	892.575171	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-2H+NH4"	16.019271
"31756"	1774.086466	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M-2H+Na"	20.974666
"473350"	2650.642366	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M-2H+Na"	20.974666
"864128"	897.530566	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-2H+Na"	20.974666
"1634106"	897.530566	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Na-2H"	20.974666
"109668"	893.536963	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M-H+Cl"	33.962126
"546628"	1331.814913	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M-H+Cl"	33.962126
"941233"	455.259013	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-H+Cl"	33.962126
"279790"	1788.081202	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+Cl"	34.969402
"675007"	2664.637102	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+Cl"	34.969402
"1288210"	911.525302	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Cl"	34.969402
"26079"	1790.060406	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M-2H+K"	36.948606
"465641"	2666.616306	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M-2H+K"	36.948606
"846724"	913.504506	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-2H+K"	36.948606
"1562560"	913.504506	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+K-2H"	36.948606
"944974"	921.554094	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-H+HCOOH"	44.998194
"369756"	1798.110001	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+HCOOH-H"	44.998201
"355829"	1812.125651	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+Hac-H"	59.013851
"1506484"	935.569751	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Hac-H"	59.013851
"974075"	943.536051	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-H+NaCOOH"	66.980151
"125248"	911.525302	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+2Cl"	69.938804
"563833"	1349.803252	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+2Cl"	69.938804
"1033845"	473.247352	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2Cl"	69.938804
"1255977"	955.474785	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Br"	78.918885
"1318058"	957.530772	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Cl+HCOOH"	80.974872
"1333737"	979.512729	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Cl+NaCOOH"	102.956829
"926987"	989.541486	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M-H+CF3COOH"	112.985586
"1302598"	1025.518164	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Cl+CF3COOH"	148.962264
"1382669"	841.543224	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H-2H2O"	-35.012676
"1396807"	859.5532	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H-H2O"	-17.0027
"295762"	1754.119076	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+H"	1.007276
"686724"	2630.674976	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+H"	1.007276
"1360887"	877.563176	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H"	1.007276
"140947"	877.563176	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+2H"	2.014552
"579170"	1315.841126	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+2H"	2.014552
"1050519"	439.285226	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2H"	2.014552
"219144"	585.377876	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+3H"	3.021828
"655058"	877.563176	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+3H"	3.021828
"1174276"	293.192576	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+3H"	3.021828
"436453"	1771.145623	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+NH4"	18.033823
"795992"	2647.701523	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+NH4"	18.033823
"1692684"	894.589723	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+NH4"	18.033823
"338775"	886.0764495	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+H+NH4"	19.041099
"727916"	1324.3543995	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+H+NH4"	19.041099
"1489393"	447.7984995	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H+NH4"	19.041099
"403698"	1776.101018	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+Na"	22.989218
"762505"	2652.656918	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+Na"	22.989218
"1611696"	899.545118	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Na"	22.989218
"316269"	888.554147	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+H+Na"	23.996494
"719639"	1326.832097	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+H+Na"	23.996494
"1466895"	450.276197	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H+Na"	23.996494
"1061234"	300.51989	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2H+Na"	25.00377
"1267285"	909.589386	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+CH3OH+H"	33.033486
"384767"	1792.074958	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+K"	38.963158
"753061"	2668.630858	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+K"	38.963158
"1554020"	915.519058	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+K"	38.963158
"313384"	896.541117	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+H+K"	39.970434
"705800"	1334.819067	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+H+K"	39.970434
"1458897"	458.263167	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H+K"	39.970434
"248591"	1795.145626	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+ACN+H"	42.033826
"1221298"	918.589726	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+ACN+H"	42.033826
"1207368"	459.798501	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+ACN+2H"	43.041102
"201332"	1798.08296	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+2Na-H"	44.97116
"639799"	2674.63886	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+2Na-H"	44.97116
"1143306"	921.52706	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2Na-H"	44.97116
"187690"	899.545118	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+2Na"	45.978436
"628105"	1337.823068	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+2Na"	45.978436
"1127475"	461.267168	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2Na"	45.978436
"1405531"	307.847204	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H+2Na"	46.985712
"1432176"	923.568646	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H+HCOOH"	47.012746
"229532"	904.57814	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+3H2O+2H"	56.04448
"1521968"	937.62069	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+IsoProp+H"	61.06479
"421657"	907.532088	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+Na+K"	61.952376
"778278"	1345.810038	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+Na+K"	61.952376
"1675701"	469.254138	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Na+K"	61.952376
"261126"	1817.127568	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+ACN+Na"	64.015768
"1228368"	940.571668	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+ACN+Na"	64.015768
"1715068"	940.595193	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+NH4+HCOOH"	64.039293
"1179202"	315.174518	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+3Na"	68.967654
"1651159"	945.550588	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Na+HCOOH"	68.994688
"158270"	1830.03084	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+2K-H"	76.91904
"598555"	2706.58674	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+2K-H"	76.91904
"1085498"	953.47494	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2K-H"	76.91904
"142919"	915.519058	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"2M+2K"	77.926316
"583693"	1353.797008	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"3M+2K"	77.926316
"1071978"	477.241108	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2K"	77.926316
"1101417"	955.489492	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2K+H"	78.933592
"1337311"	955.577107	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+DMSO+H"	79.021207
"1006574"	959.616276	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2ACN+H"	83.060376
"1527141"	960.609908	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+IsoProp+Na+H"	84.054008
"993588"	480.311776	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+2ACN+2H"	84.067652
"1594653"	961.524528	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+K+HCOOH"	84.968628
"1429813"	991.556038	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+H+CF3COOH"	115.000138
"1157167"	500.825051	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+3ACN+2H"	125.094202
"1705623"	1008.582585	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+NH4+CF3COOH"	132.026685
"1641275"	1013.53798	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+Na+CF3COOH"	136.98208
"1585674"	1029.51192	"C11985"	"Megalomicin A"	"C44H80N2O15"	"876.5559"	"M+K+CF3COOH"	152.95602
"806197"	918.5664	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M"	0
"976448"	899.54801	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-H2O-H"	-19.01839
"69067"	611.370324	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M-3H"	-3.021828
"508625"	917.559124	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M-3H"	-3.021828
"884240"	305.181524	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-3H"	-3.021828
"3909"	917.559124	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M-2H"	-2.014552
"440918"	1376.842324	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M-2H"	-2.014552
"819448"	458.275924	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-2H"	-2.014552
"79477"	1836.125524	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M-H"	-1.007276
"520456"	2754.691924	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M-H"	-1.007276
"897532"	917.559124	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-H"	-1.007276
"48990"	1853.152071	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M-2H+NH4"	16.019271
"487940"	2771.718471	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M-2H+NH4"	16.019271
"864414"	934.585671	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-2H+NH4"	16.019271
"32197"	1858.107466	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M-2H+Na"	20.974666
"475647"	2776.673866	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M-2H+Na"	20.974666
"861478"	939.541066	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-2H+Na"	20.974666
"1633400"	939.541066	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Na-2H"	20.974666
"109894"	935.547463	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M-H+Cl"	33.962126
"542362"	1394.830663	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M-H+Cl"	33.962126
"931865"	476.264263	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-H+Cl"	33.962126
"279899"	1872.102202	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+Cl"	34.969402
"674387"	2790.668602	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+Cl"	34.969402
"1285820"	953.535802	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Cl"	34.969402
"25097"	1874.081406	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M-2H+K"	36.948606
"469032"	2792.647806	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M-2H+K"	36.948606
"848055"	955.515006	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-2H+K"	36.948606
"1564857"	955.515006	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+K-2H"	36.948606
"946178"	963.564594	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-H+HCOOH"	44.998194
"374240"	1882.131001	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+HCOOH-H"	44.998201
"359219"	1896.146651	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+Hac-H"	59.013851
"1505864"	977.580251	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Hac-H"	59.013851
"970123"	985.546551	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-H+NaCOOH"	66.980151
"124499"	953.535802	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+2Cl"	69.938804
"564793"	1412.819002	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+2Cl"	69.938804
"1033953"	494.252602	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2Cl"	69.938804
"1254627"	997.485285	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Br"	78.918885
"1319818"	999.541272	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Cl+HCOOH"	80.974872
"1334456"	1021.523229	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Cl+NaCOOH"	102.956829
"926861"	1031.551986	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M-H+CF3COOH"	112.985586
"1303440"	1067.528664	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Cl+CF3COOH"	148.962264
"1382324"	883.553724	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H-2H2O"	-35.012676
"1396552"	901.5637	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H-H2O"	-17.0027
"298061"	1838.140076	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+H"	1.007276
"691255"	2756.706476	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+H"	1.007276
"1366100"	919.573676	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H"	1.007276
"139719"	919.573676	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+2H"	2.014552
"580005"	1378.856876	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+2H"	2.014552
"1050629"	460.290476	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2H"	2.014552
"216702"	613.384876	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+3H"	3.021828
"655168"	919.573676	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+3H"	3.021828
"1176210"	307.196076	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+3H"	3.021828
"434377"	1855.166623	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+NH4"	18.033823
"794279"	2773.733023	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+NH4"	18.033823
"1687326"	936.600223	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+NH4"	18.033823
"334510"	928.0869495	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+H+NH4"	19.041099
"726203"	1387.3701495	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+H+NH4"	19.041099
"1486222"	468.8037495	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H+NH4"	19.041099
"403806"	1860.122018	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+Na"	22.989218
"761521"	2778.688418	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+Na"	22.989218
"1610713"	941.555618	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Na"	22.989218
"315526"	930.564647	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+H+Na"	23.996494
"715372"	1389.847847	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+H+Na"	23.996494
"1467005"	471.281447	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H+Na"	23.996494
"1055876"	314.52339	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2H+Na"	25.00377
"1260833"	951.599886	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+CH3OH+H"	33.033486
"383784"	1876.095958	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+K"	38.963158
"745875"	2794.662358	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+K"	38.963158
"1554131"	957.529558	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+K"	38.963158
"313491"	938.551617	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+H+K"	39.970434
"704087"	1397.834817	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+H+K"	39.970434
"1459370"	479.268417	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H+K"	39.970434
"246514"	1879.166626	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+ACN+H"	42.033826
"1220314"	960.600226	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+ACN+H"	42.033826
"1202011"	480.803751	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+ACN+2H"	43.041102
"194152"	1882.10396	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+2Na-H"	44.97116
"637722"	2800.67036	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+2Na-H"	44.97116
"1140135"	963.53756	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2Na-H"	44.97116
"185613"	941.555618	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+2Na"	45.978436
"627725"	1400.838818	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+2Na"	45.978436
"1126492"	482.272418	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2Na"	45.978436
"1407828"	321.850704	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H+2Na"	46.985712
"1432286"	965.579146	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H+HCOOH"	47.012746
"223442"	946.58864	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+3H2O+2H"	56.04448
"1522078"	979.63119	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+IsoProp+H"	61.06479
"422860"	949.542588	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+Na+K"	61.952376
"776565"	1408.825788	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+Na+K"	61.952376
"1675811"	490.259388	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Na+K"	61.952376
"265610"	1901.148568	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+ACN+Na"	64.015768
"1240830"	982.582168	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+ACN+Na"	64.015768
"1718094"	982.605693	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+NH4+HCOOH"	64.039293
"1181989"	329.178018	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+3Na"	68.967654
"1651515"	987.561088	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Na+HCOOH"	68.994688
"159109"	1914.05184	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+2K-H"	76.91904
"598905"	2832.61824	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+2K-H"	76.91904
"1086096"	995.48544	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2K-H"	76.91904
"142547"	957.529558	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"2M+2K"	77.926316
"582352"	1416.812758	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"3M+2K"	77.926316
"1070995"	498.246358	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2K"	77.926316
"1101772"	997.499992	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2K+H"	78.933592
"1338761"	997.587607	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+DMSO+H"	79.021207
"1006808"	1001.626776	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2ACN+H"	83.060376
"1529438"	1002.620408	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+IsoProp+Na+H"	84.054008
"993698"	501.317026	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+2ACN+2H"	84.067652
"1594763"	1003.535028	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+K+HCOOH"	84.968628
"1429745"	1033.566538	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+H+CF3COOH"	115.000138
"1157277"	521.830301	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+3ACN+2H"	125.094202
"1704640"	1050.593085	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+NH4+CF3COOH"	132.026685
"1641385"	1055.54848	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+Na+CF3COOH"	136.98208
"1585784"	1071.52242	"C11986"	"Megalomicin B;4-Acetylmegalomycin A"	"C46H82N2O16"	"918.5664"	"M+K+CF3COOH"	152.95602
"806307"	960.577	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M"	0
"976558"	941.55861	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-H2O-H"	-19.01839
"72457"	639.377390666667	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M-3H"	-3.021828
"505455"	959.569724	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M-3H"	-3.021828
"883257"	319.185057333333	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-3H"	-3.021828
"979"	959.569724	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M-2H"	-2.014552
"440135"	1439.858224	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M-2H"	-2.014552
"817492"	479.281224	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-2H"	-2.014552
"79548"	1920.146724	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M-H"	-1.007276
"519837"	2880.723724	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M-H"	-1.007276
"897154"	959.569724	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-H"	-1.007276
"48857"	1937.173271	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M-2H+NH4"	16.019271
"487355"	2897.750271	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M-2H+NH4"	16.019271
"864273"	976.596271	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-2H+NH4"	16.019271
"31513"	1942.128666	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M-2H+Na"	20.974666
"471663"	2902.705666	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M-2H+Na"	20.974666
"848733"	981.551666	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-2H+Na"	20.974666
"1620906"	981.551666	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Na-2H"	20.974666
"106191"	977.558063	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M-H+Cl"	33.962126
"542472"	1457.846563	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M-H+Cl"	33.962126
"931246"	497.269563	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-H+Cl"	33.962126
"276729"	1956.123402	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+Cl"	34.969402
"672433"	2916.700402	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+Cl"	34.969402
"1284836"	995.546402	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Cl"	34.969402
"29582"	1958.102606	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M-2H+K"	36.948606
"468049"	2918.679606	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M-2H+K"	36.948606
"846944"	997.525606	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-2H+K"	36.948606
"1561687"	997.525606	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+K-2H"	36.948606
"949568"	1005.575194	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-H+HCOOH"	44.998194
"374350"	1966.152201	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+HCOOH-H"	44.998201
"360182"	1980.167851	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+Hac-H"	59.013851
"1504882"	1019.590851	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Hac-H"	59.013851
"970598"	1027.557151	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-H+NaCOOH"	66.980151
"122789"	995.546402	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+2Cl"	69.938804
"564416"	1475.834902	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+2Cl"	69.938804
"1035158"	515.257902	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2Cl"	69.938804
"1253641"	1039.495885	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Br"	78.918885
"1319577"	1041.551872	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Cl+HCOOH"	80.974872
"1333956"	1063.533829	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Cl+NaCOOH"	102.956829
"926921"	1073.562586	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M-H+CF3COOH"	112.985586
"1303429"	1109.539264	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Cl+CF3COOH"	148.962264
"1381705"	925.564324	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H-2H2O"	-35.012676
"1397756"	943.5743	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H-H2O"	-17.0027
"296713"	1922.161276	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+H"	1.007276
"689864"	2882.738276	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+H"	1.007276
"1365117"	961.584276	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H"	1.007276
"140558"	961.584276	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+2H"	2.014552
"576831"	1441.872776	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+2H"	2.014552
"1048909"	481.295776	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2H"	2.014552
"214624"	641.391942666667	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+3H"	3.021828
"655278"	961.584276	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+3H"	3.021828
"1177049"	321.199609333333	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+3H"	3.021828
"431206"	1939.187823	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+NH4"	18.033823
"793296"	2899.764823	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+NH4"	18.033823
"1685249"	978.610823	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+NH4"	18.033823
"332433"	970.0975495	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+H+NH4"	19.041099
"724854"	1450.3860495	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+H+NH4"	19.041099
"1484146"	489.8090495	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H+NH4"	19.041099
"398449"	1944.143218	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+Na"	22.989218
"760539"	2904.720218	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+Na"	22.989218
"1608637"	983.566218	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Na"	22.989218
"314662"	972.575247	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+H+Na"	23.996494
"714389"	1452.863747	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+H+Na"	23.996494
"1467115"	492.286747	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H+Na"	23.996494
"1055986"	328.526923333333	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2H+Na"	25.00377
"1258757"	993.610486	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+CH3OH+H"	33.033486
"383894"	1960.117158	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+K"	38.963158
"744892"	2920.694158	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+K"	38.963158
"1552783"	999.540158	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+K"	38.963158
"312873"	980.562217	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+H+K"	39.970434
"702011"	1460.850717	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+H+K"	39.970434
"1460572"	500.273717	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H+K"	39.970434
"247351"	1963.187826	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+ACN+H"	42.033826
"1217143"	1002.610826	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+ACN+H"	42.033826
"1204308"	501.809051	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+ACN+2H"	43.041102
"197178"	1966.12516	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+2Na-H"	44.97116
"638926"	2926.70216	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+2Na-H"	44.97116
"1140245"	1005.54816	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2Na-H"	44.97116
"185723"	983.566218	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+2Na"	45.978436
"627957"	1463.854718	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+2Na"	45.978436
"1127695"	503.277718	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2Na"	45.978436
"1407938"	335.854237333333	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H+2Na"	46.985712
"1433855"	1007.589746	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H+HCOOH"	47.012746
"224282"	988.59924	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+3H2O+2H"	56.04448
"1517814"	1021.64179	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+IsoProp+H"	61.06479
"420782"	991.553188	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+Na+K"	61.952376
"776312"	1471.841688	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+Na+K"	61.952376
"1674827"	511.264688	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Na+K"	61.952376
"260252"	1985.169768	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+ACN+Na"	64.015768
"1236240"	1024.592768	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+ACN+Na"	64.015768
"1718204"	1024.616293	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+NH4+HCOOH"	64.039293
"1180029"	343.181551333333	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+3Na"	68.967654
"1650891"	1029.571688	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Na+HCOOH"	68.994688
"159219"	1998.07304	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+2K-H"	76.91904
"597681"	2958.65004	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+2K-H"	76.91904
"1085230"	1037.49604	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2K-H"	76.91904
"142047"	999.540158	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"2M+2K"	77.926316
"581847"	1479.828658	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"3M+2K"	77.926316
"1069761"	519.251658	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2K"	77.926316
"1101392"	1039.510592	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2K+H"	78.933592
"1338505"	1039.598207	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+DMSO+H"	79.021207
"1005833"	1043.637376	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2ACN+H"	83.060376
"1527362"	1044.631008	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+IsoProp+Na+H"	84.054008
"993808"	522.322326	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+2ACN+2H"	84.067652
"1594873"	1045.545628	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+K+HCOOH"	84.968628
"1428923"	1075.577138	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+H+CF3COOH"	115.000138
"1158480"	542.835601	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+3ACN+2H"	125.094202
"1704750"	1092.603685	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+NH4+CF3COOH"	132.026685
"1641495"	1097.55908	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+Na+CF3COOH"	136.98208
"1585894"	1113.53302	"C11987"	"Megalomicin C1"	"C48H84N2O17"	"960.577"	"M+K+CF3COOH"	152.95602
"806417"	974.5926	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M"	0
"977761"	955.57421	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-H2O-H"	-19.01839
"64912"	648.721124	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M-3H"	-3.021828
"505565"	973.585324	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M-3H"	-3.021828
"883367"	323.856924	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-3H"	-3.021828
"2668"	973.585324	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M-2H"	-2.014552
"440896"	1460.881624	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M-2H"	-2.014552
"818695"	486.289024	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-2H"	-2.014552
"79659"	1948.177924	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M-H"	-1.007276
"519705"	2922.770524	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M-H"	-1.007276
"897874"	973.585324	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-H"	-1.007276
"47588"	1965.204471	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M-2H+NH4"	16.019271
"487914"	2939.797071	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M-2H+NH4"	16.019271
"864756"	990.611871	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-2H+NH4"	16.019271
"31716"	1970.159866	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M-2H+Na"	20.974666
"471772"	2944.752466	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M-2H+Na"	20.974666
"849294"	995.567266	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-2H+Na"	20.974666
"1621379"	995.567266	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Na-2H"	20.974666
"108124"	991.573663	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M-H+Cl"	33.962126
"544769"	1478.869963	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M-H+Cl"	33.962126
"936096"	504.277363	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-H+Cl"	33.962126
"279026"	1984.154602	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+Cl"	34.969402
"673514"	2958.747202	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+Cl"	34.969402
"1280571"	1009.562002	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Cl"	34.969402
"28596"	1986.133806	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M-2H+K"	36.948606
"468156"	2960.726406	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M-2H+K"	36.948606
"847054"	1011.541206	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-2H+K"	36.948606
"1568358"	1011.541206	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+K-2H"	36.948606
"951865"	1019.590794	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-H+HCOOH"	44.998194
"373367"	1994.183401	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+HCOOH-H"	44.998201
"358348"	2008.199051	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+Hac-H"	59.013851
"1504263"	1033.606451	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Hac-H"	59.013851
"970343"	1041.572751	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-H+NaCOOH"	66.980151
"122534"	1009.562002	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+2Cl"	69.938804
"563554"	1496.858302	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+2Cl"	69.938804
"1035268"	522.265702	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2Cl"	69.938804
"1256183"	1053.511485	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Br"	78.918885
"1316201"	1055.567472	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Cl+HCOOH"	80.974872
"1332607"	1077.549429	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Cl+NaCOOH"	102.956829
"925854"	1087.578186	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M-H+CF3COOH"	112.985586
"1303051"	1123.554864	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Cl+CF3COOH"	148.962264
"1379628"	939.579924	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H-2H2O"	-35.012676
"1398191"	957.5899	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H-H2O"	-17.0027
"297916"	1950.192476	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+H"	1.007276
"689611"	2924.785076	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+H"	1.007276
"1365227"	975.599876	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H"	1.007276
"139573"	975.599876	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+2H"	2.014552
"576941"	1462.896176	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+2H"	2.014552
"1045739"	488.303576	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2H"	2.014552
"213641"	650.735676	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+3H"	3.021828
"654295"	975.599876	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+3H"	3.021828
"1176794"	325.871476	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+3H"	3.021828
"429130"	1967.219023	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+NH4"	18.033823
"794499"	2941.811623	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+NH4"	18.033823
"1684268"	992.626423	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+NH4"	18.033823
"334731"	984.1131495	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+H+NH4"	19.041099
"728246"	1471.4094495	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+H+NH4"	19.041099
"1483163"	496.8168495	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H+NH4"	19.041099
"400747"	1972.174418	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+Na"	22.989218
"760650"	2946.767018	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+Na"	22.989218
"1608747"	997.581818	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Na"	22.989218
"316236"	986.590847	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+H+Na"	23.996494
"715593"	1473.887147	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+H+Na"	23.996494
"1465039"	499.294547	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H+Na"	23.996494
"1056096"	333.19879	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2H+Na"	25.00377
"1261053"	1007.626086	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+CH3OH+H"	33.033486
"384004"	1988.148358	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+K"	38.963158
"747189"	2962.740958	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+K"	38.963158
"1552528"	1013.555758	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+K"	38.963158
"308609"	994.577817	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+H+K"	39.970434
"702121"	1481.874117	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+H+K"	39.970434
"1455946"	507.281517	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H+K"	39.970434
"246732"	1991.219026	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+ACN+H"	42.033826
"1218347"	1016.626426	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+ACN+H"	42.033826
"1204418"	508.816851	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+ACN+2H"	43.041102
"197288"	1994.15636	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+2Na-H"	44.97116
"639765"	2968.74896	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+2Na-H"	44.97116
"1140355"	1019.56376	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2Na-H"	44.97116
"184740"	997.581818	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+2Na"	45.978436
"625393"	1484.878118	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+2Na"	45.978436
"1129991"	510.285518	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2Na"	45.978436
"1408047"	340.526104	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H+2Na"	46.985712
"1439067"	1021.605346	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H+HCOOH"	47.012746
"224756"	1002.61484	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+3H2O+2H"	56.04448
"1517924"	1035.65739	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+IsoProp+H"	61.06479
"417613"	1005.568788	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+Na+K"	61.952376
"775329"	1492.865088	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+Na+K"	61.952376
"1671658"	518.272488	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Na+K"	61.952376
"259269"	2013.200968	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+ACN+Na"	64.015768
"1235986"	1038.608368	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+ACN+Na"	64.015768
"1713447"	1038.631893	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+NH4+HCOOH"	64.039293
"1180745"	347.853418	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+3Na"	68.967654
"1650638"	1043.587288	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Na+HCOOH"	68.994688
"157990"	2026.10424	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+2K-H"	76.91904
"597829"	3000.69684	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+2K-H"	76.91904
"1085703"	1051.51164	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2K-H"	76.91904
"142034"	1013.555758	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"2M+2K"	77.926316
"583050"	1500.852058	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"3M+2K"	77.926316
"1068821"	526.259458	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2K"	77.926316
"1100653"	1053.526192	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2K+H"	78.933592
"1338616"	1053.613807	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+DMSO+H"	79.021207
"1006173"	1057.652976	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2ACN+H"	83.060376
"1527472"	1058.646608	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+IsoProp+Na+H"	84.054008
"991732"	529.330126	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+2ACN+2H"	84.067652
"1590610"	1059.561228	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+K+HCOOH"	84.968628
"1428669"	1089.592738	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+H+CF3COOH"	115.000138
"1155311"	549.843401	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+3ACN+2H"	125.094202
"1703767"	1106.619285	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+NH4+CF3COOH"	132.026685
"1641605"	1111.57468	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+Na+CF3COOH"	136.98208
"1586004"	1127.54862	"C11988"	"Megalomicin C2"	"C49H86N2O17"	"974.5926"	"M+K+CF3COOH"	152.95602
"806527"	372.2512	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M"	0
"986618"	353.23281	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-H2O-H"	-19.01839
"66115"	247.160190666667	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M-3H"	-3.021828
"511141"	371.243924	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M-3H"	-3.021828
"887850"	123.076457333333	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-3H"	-3.021828
"4241"	371.243924	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M-2H"	-2.014552
"444894"	557.369524	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M-2H"	-2.014552
"819778"	185.118324	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-2H"	-2.014552
"81227"	743.495124	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M-H"	-1.007276
"520788"	1115.746324	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M-H"	-1.007276
"897132"	371.243924	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-H"	-1.007276
"47331"	760.521671	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M-2H+NH4"	16.019271
"487334"	1132.772871	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M-2H+NH4"	16.019271
"865835"	388.270471	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-2H+NH4"	16.019271
"33128"	765.477066	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M-2H+Na"	20.974666
"473789"	1137.728266	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M-2H+Na"	20.974666
"849398"	393.225866	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-2H+Na"	20.974666
"1619291"	393.225866	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Na-2H"	20.974666
"105316"	389.232263	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M-H+Cl"	33.962126
"542693"	575.357863	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M-H+Cl"	33.962126
"936206"	203.106663	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-H+Cl"	33.962126
"276949"	779.471802	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+Cl"	34.969402
"673018"	1151.723002	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+Cl"	34.969402
"1279588"	407.220602	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Cl"	34.969402
"27613"	781.451006	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M-2H+K"	36.948606
"466080"	1153.702206	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M-2H+K"	36.948606
"846800"	409.199806	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-2H+K"	36.948606
"1568468"	409.199806	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+K-2H"	36.948606
"951976"	417.249394	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-H+HCOOH"	44.998194
"373478"	789.500601	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+HCOOH-H"	44.998201
"357364"	803.516251	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+Hac-H"	59.013851
"1502914"	431.265051	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Hac-H"	59.013851
"968266"	439.231351	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-H+NaCOOH"	66.980151
"123007"	407.220602	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+2Cl"	69.938804
"563298"	593.346202	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+2Cl"	69.938804
"1035013"	221.095002	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2Cl"	69.938804
"1255322"	451.170085	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Br"	78.918885
"1316311"	453.226072	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Cl+HCOOH"	80.974872
"1332353"	475.208029	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Cl+NaCOOH"	102.956829
"925236"	485.236786	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M-H+CF3COOH"	112.985586
"1301216"	521.213464	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Cl+CF3COOH"	148.962264
"1378281"	337.238524	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H-2H2O"	-35.012676
"1397615"	355.2485	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H-H2O"	-17.0027
"297297"	745.509676	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+H"	1.007276
"689714"	1117.760876	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+H"	1.007276
"1366066"	373.258476	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H"	1.007276
"139684"	373.258476	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+2H"	2.014552
"576323"	559.384076	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+2H"	2.014552
"1045849"	187.132876	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2H"	2.014552
"212657"	249.174742666667	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+3H"	3.021828
"653311"	373.258476	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+3H"	3.021828
"1174353"	125.091009333333	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+3H"	3.021828
"429240"	762.536223	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+NH4"	18.033823
"792422"	1134.787423	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+NH4"	18.033823
"1687656"	390.285023	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+NH4"	18.033823
"334840"	381.7717495	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+H+NH4"	19.041099
"731637"	567.8973495	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+H+NH4"	19.041099
"1485460"	195.6461495	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H+NH4"	19.041099
"403044"	767.491618	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+Na"	22.989218
"764040"	1139.742818	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+Na"	22.989218
"1611043"	395.240418	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Na"	22.989218
"316709"	384.249447	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+H+Na"	23.996494
"710235"	570.375047	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+H+Na"	23.996494
"1462107"	198.123847	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H+Na"	23.996494
"1054018"	132.418323333333	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2H+Na"	25.00377
"1258609"	405.284686	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+CH3OH+H"	33.033486
"383021"	783.465558	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+K"	38.963158
"746206"	1155.716758	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+K"	38.963158
"1552638"	411.214358	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+K"	38.963158
"307262"	392.236417	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+H+K"	39.970434
"698952"	578.362017	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+H+K"	39.970434
"1455691"	206.110817	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H+K"	39.970434
"245749"	786.536226	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+ACN+H"	42.033826
"1217364"	414.285026	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+ACN+H"	42.033826
"1204528"	207.646151	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+ACN+2H"	43.041102
"197398"	789.47356	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+2Na-H"	44.97116
"638782"	1161.72476	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+2Na-H"	44.97116
"1138278"	417.22236	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2Na-H"	44.97116
"180476"	395.240418	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+2Na"	45.978436
"623317"	581.366018	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+2Na"	45.978436
"1127915"	209.114818	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2Na"	45.978436
"1410346"	139.745637333333	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H+2Na"	46.985712
"1438087"	419.263946	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H+HCOOH"	47.012746
"228877"	400.27344	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+3H2O+2H"	56.04448
"1517672"	433.31599	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+IsoProp+H"	61.06479
"416995"	403.227388	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+Na+K"	61.952376
"780178"	589.352988	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+Na+K"	61.952376
"1668487"	217.101788	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Na+K"	61.952376
"255372"	808.518168	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+ACN+Na"	64.015768
"1234641"	436.266968	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+ACN+Na"	64.015768
"1714408"	436.290493	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+NH4+HCOOH"	64.039293
"1181952"	147.072951333333	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+3Na"	68.967654
"1651477"	441.245888	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Na+HCOOH"	68.994688
"157858"	821.42144	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+2K-H"	76.91904
"598022"	1193.67264	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+2K-H"	76.91904
"1086059"	449.17024	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2K-H"	76.91904
"142508"	411.214358	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"2M+2K"	77.926316
"582676"	597.339958	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"3M+2K"	77.926316
"1070348"	225.088758	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2K"	77.926316
"1101734"	451.184792	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2K+H"	78.933592
"1336416"	451.272407	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+DMSO+H"	79.021207
"1006529"	455.311576	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2ACN+H"	83.060376
"1524656"	456.305208	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+IsoProp+Na+H"	84.054008
"994028"	228.159426	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+2ACN+2H"	84.067652
"1591813"	457.219828	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+K+HCOOH"	84.968628
"1425133"	487.251338	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+H+CF3COOH"	115.000138
"1156514"	248.672701	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+3ACN+2H"	125.094202
"1703877"	504.277885	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+NH4+CF3COOH"	132.026685
"1635154"	509.23328	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+Na+CF3COOH"	136.98208
"1586114"	525.20722	"C11989"	"88a-Deoxyoleandolide"	"C20H36O6"	"372.2512"	"M+K+CF3COOH"	152.95602
"806637"	386.2305	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M"	0
"980169"	367.21211	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-H2O-H"	-19.01839
"65496"	256.479724	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M-3H"	-3.021828
"506878"	385.223224	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M-3H"	-3.021828
"885047"	127.736224	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-3H"	-3.021828
"4351"	385.223224	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M-2H"	-2.014552
"443911"	578.338474	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M-2H"	-2.014552
"818067"	192.107974	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-2H"	-2.014552
"80973"	771.453724	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M-H"	-1.007276
"520534"	1157.684224	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M-H"	-1.007276
"896633"	385.223224	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-H"	-1.007276
"47972"	788.480271	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M-2H+NH4"	16.019271
"487139"	1174.710771	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M-2H+NH4"	16.019271
"865464"	402.249771	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-2H+NH4"	16.019271
"35431"	793.435666	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M-2H+Na"	20.974666
"476450"	1179.666166	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M-2H+Na"	20.974666
"850971"	407.205166	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-2H+Na"	20.974666
"1619774"	407.205166	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Na-2H"	20.974666
"104332"	403.211563	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M-H+Cl"	33.962126
"539885"	596.326813	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M-H+Cl"	33.962126
"936316"	210.096313	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-H+Cl"	33.962126
"277059"	807.430402	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+Cl"	34.969402
"674709"	1193.660902	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+Cl"	34.969402
"1284072"	421.199902	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Cl"	34.969402
"27723"	809.409606	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M-2H+K"	36.948606
"467283"	1195.640106	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M-2H+K"	36.948606
"846181"	423.179106	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-2H+K"	36.948606
"1566392"	423.179106	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+K-2H"	36.948606
"952086"	431.228694	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-H+HCOOH"	44.998194
"373223"	817.459201	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+HCOOH-H"	44.998201
"360026"	831.474851	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+Hac-H"	59.013851
"1504118"	445.244351	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Hac-H"	59.013851
"969470"	453.210651	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-H+NaCOOH"	66.980151
"124210"	421.199902	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+2Cl"	69.938804
"562313"	614.315152	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+2Cl"	69.938804
"1035123"	228.084652	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2Cl"	69.938804
"1256161"	465.149385	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Br"	78.918885
"1316421"	467.205372	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Cl+HCOOH"	80.974872
"1333920"	489.187329	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Cl+NaCOOH"	102.956829
"924617"	499.216086	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M-H+CF3COOH"	112.985586
"1302421"	535.192764	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Cl+CF3COOH"	148.962264
"1380213"	351.217824	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H-2H2O"	-35.012676
"1397927"	369.2278	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H-H2O"	-17.0027
"298343"	773.468276	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+H"	1.007276
"687638"	1159.698776	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+H"	1.007276
"1365809"	387.237776	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H"	1.007276
"136144"	387.237776	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+2H"	2.014552
"576797"	580.353026	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+2H"	2.014552
"1045959"	194.122526	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2H"	2.014552
"217141"	258.494276	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+3H"	3.021828
"654515"	387.237776	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+3H"	3.021828
"1175800"	129.750776	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+3H"	3.021828
"429350"	790.494823	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+NH4"	18.033823
"794720"	1176.725323	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+NH4"	18.033823
"1686673"	404.264323	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+NH4"	18.033823
"334952"	395.7510495	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+H+NH4"	19.041099
"728468"	588.8662995	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+H+NH4"	19.041099
"1486664"	202.6357995	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H+NH4"	19.041099
"404248"	795.450218	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+Na"	22.989218
"763057"	1181.680718	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+Na"	22.989218
"1613340"	409.219718	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Na"	22.989218
"317913"	398.228747	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+H+Na"	23.996494
"711437"	591.343997	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+H+Na"	23.996494
"1465254"	205.113497	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H+Na"	23.996494
"1053881"	137.07809	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2H+Na"	25.00377
"1259084"	419.263986	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+CH3OH+H"	33.033486
"385315"	811.424158	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+K"	38.963158
"748499"	1197.654658	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+K"	38.963158
"1551286"	425.193658	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+K"	38.963158
"307737"	406.215717	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+H+K"	39.970434
"702706"	599.330967	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+H+K"	39.970434
"1455072"	213.100467	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H+K"	39.970434
"244766"	814.494826	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+ACN+H"	42.033826
"1217474"	428.264326	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+ACN+H"	42.033826
"1204638"	214.635801	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+ACN+2H"	43.041102
"200423"	817.43216	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+2Na-H"	44.97116
"640349"	1203.66266	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+2Na-H"	44.97116
"1142759"	431.20166	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2Na-H"	44.97116
"183865"	409.219718	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+2Na"	45.978436
"622332"	602.334968	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+2Na"	45.978436
"1122556"	216.104468	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2Na"	45.978436
"1411548"	144.405404	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H+2Na"	46.985712
"1439290"	433.243246	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H+HCOOH"	47.012746
"232264"	414.25274	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+3H2O+2H"	56.04448
"1519607"	447.29529	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+IsoProp+H"	61.06479
"419292"	417.206688	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+Na+K"	61.952376
"781381"	610.321938	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+Na+K"	61.952376
"1671877"	224.091438	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Na+K"	61.952376
"261677"	836.476768	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+ACN+Na"	64.015768
"1236572"	450.246268	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+ACN+Na"	64.015768
"1715249"	450.269793	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+NH4+HCOOH"	64.039293
"1182790"	151.732718	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+3Na"	68.967654
"1651709"	455.225188	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Na+HCOOH"	68.994688
"158329"	849.38004	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+2K-H"	76.91904
"598740"	1235.61054	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+2K-H"	76.91904
"1086897"	463.14954	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2K-H"	76.91904
"142984"	425.193658	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"2M+2K"	77.926316
"582423"	618.308908	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"3M+2K"	77.926316
"1069244"	232.078408	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2K"	77.926316
"1100507"	465.164092	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2K+H"	78.933592
"1336407"	465.251707	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+DMSO+H"	79.021207
"1005709"	469.290876	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2ACN+H"	83.060376
"1524766"	470.284508	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+IsoProp+Na+H"	84.054008
"990853"	235.149076	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+2ACN+2H"	84.067652
"1591923"	471.199128	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+K+HCOOH"	84.968628
"1425243"	501.230638	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+H+CF3COOH"	115.000138
"1157717"	255.662351	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+3ACN+2H"	125.094202
"1703987"	518.257185	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+NH4+CF3COOH"	132.026685
"1635385"	523.21258	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+Na+CF3COOH"	136.98208
"1586224"	539.18652	"C11990"	"Oleandolide"	"C20H34O7"	"386.2305"	"M+K+CF3COOH"	152.95602
"806747"	516.2934	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M"	0
"983559"	497.27501	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-H2O-H"	-19.01839
"66336"	343.188324	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M-3H"	-3.021828
"510268"	515.286124	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M-3H"	-3.021828
"888073"	171.090524	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-3H"	-3.021828
"4461"	515.286124	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M-2H"	-2.014552
"442928"	773.432824	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M-2H"	-2.014552
"819635"	257.139424	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-2H"	-2.014552
"80114"	1031.579524	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M-H"	-1.007276
"519307"	1547.872924	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M-H"	-1.007276
"898085"	515.286124	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-H"	-1.007276
"49180"	1048.606071	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M-2H+NH4"	16.019271
"492022"	1564.899471	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M-2H+NH4"	16.019271
"864278"	532.312671	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-2H+NH4"	16.019271
"35907"	1053.561466	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M-2H+Na"	20.974666
"476196"	1569.854866	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M-2H+Na"	20.974666
"852904"	537.268066	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-2H+Na"	20.974666
"1620250"	537.268066	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Na-2H"	20.974666
"106630"	533.274463	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M-H+Cl"	33.962126
"545099"	791.421163	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M-H+Cl"	33.962126
"937520"	275.127763	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-H+Cl"	33.962126
"280695"	1067.556202	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+Cl"	34.969402
"675390"	1583.849602	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+Cl"	34.969402
"1288075"	551.262802	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Cl"	34.969402
"29292"	1069.535406	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M-2H+K"	36.948606
"468487"	1585.828806	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M-2H+K"	36.948606
"846291"	553.242006	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-2H+K"	36.948606
"1569781"	553.242006	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+K-2H"	36.948606
"953290"	561.291594	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-H+HCOOH"	44.998194
"369318"	1077.585001	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+HCOOH-H"	44.998201
"353202"	1091.600651	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+Hac-H"	59.013851
"1500940"	575.307251	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Hac-H"	59.013851
"966295"	583.273551	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-H+NaCOOH"	66.980151
"122862"	551.262802	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+2Cl"	69.938804
"559141"	809.409502	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+2Cl"	69.938804
"1033409"	293.116102	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2Cl"	69.938804
"1256153"	595.212285	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Br"	78.918885
"1318722"	597.268272	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Cl+HCOOH"	80.974872
"1332939"	619.250229	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Cl+NaCOOH"	102.956829
"924729"	629.278986	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M-H+CF3COOH"	112.985586
"1302897"	665.255664	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Cl+CF3COOH"	148.962264
"1380323"	481.280724	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H-2H2O"	-35.012676
"1398196"	499.2907	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H-H2O"	-17.0027
"298449"	1033.594076	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+H"	1.007276
"688477"	1549.887476	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+H"	1.007276
"1361544"	517.300676	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H"	1.007276
"135161"	517.300676	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+2H"	2.014552
"576179"	775.447376	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+2H"	2.014552
"1046069"	259.153976	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2H"	2.014552
"216889"	345.202876	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+3H"	3.021828
"653897"	517.300676	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+3H"	3.021828
"1175668"	173.105076	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+3H"	3.021828
"430554"	1050.620623	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+NH4"	18.033823
"792643"	1566.914023	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+NH4"	18.033823
"1686786"	534.327223	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+NH4"	18.033823
"333241"	525.8139495	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+H+NH4"	19.041099
"726755"	783.9606495	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+H+NH4"	19.041099
"1490054"	267.6672495	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H+NH4"	19.041099
"405817"	1055.576018	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+Na"	22.989218
"766447"	1571.869418	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+Na"	22.989218
"1611264"	539.282618	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Na"	22.989218
"319118"	528.291647	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+H+Na"	23.996494
"712642"	786.438347	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+H+Na"	23.996494
"1465000"	270.144947	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H+Na"	23.996494
"1056788"	180.43239	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2H+Na"	25.00377
"1258466"	549.326886	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+CH3OH+H"	33.033486
"382145"	1071.549958	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+K"	38.963158
"750795"	1587.843358	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+K"	38.963158
"1552853"	555.256558	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+K"	38.963158
"310032"	536.278617	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+H+K"	39.970434
"705002"	794.425317	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+H+K"	39.970434
"1456275"	278.131917	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H+K"	39.970434
"247061"	1074.620626	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+ACN+H"	42.033826
"1219768"	558.327226	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+ACN+H"	42.033826
"1202557"	279.667251	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+ACN+2H"	43.041102
"201262"	1077.55796	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+2Na-H"	44.97116
"641187"	1593.85136	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+2Na-H"	44.97116
"1141776"	561.26456	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2Na-H"	44.97116
"183975"	539.282618	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+2Na"	45.978436
"621348"	797.429318	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+2Na"	45.978436
"1123759"	281.135918	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2Na"	45.978436
"1408377"	187.759704	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H+2Na"	46.985712
"1443773"	563.306146	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H+HCOOH"	47.012746
"233833"	544.31564	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+3H2O+2H"	56.04448
"1519344"	577.35819	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+IsoProp+H"	61.06479
"419030"	547.269588	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+Na+K"	61.952376
"781121"	805.416288	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+Na+K"	61.952376
"1676361"	289.122888	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Na+K"	61.952376
"262880"	1096.602568	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+ACN+Na"	64.015768
"1235588"	580.309168	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+ACN+Na"	64.015768
"1714995"	580.332693	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+NH4+HCOOH"	64.039293
"1183630"	195.087018	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+3Na"	68.967654
"1654615"	585.288088	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Na+HCOOH"	68.994688
"157221"	1109.50584	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+2K-H"	76.91904
"598119"	1625.79924	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+2K-H"	76.91904
"1086642"	593.21244	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2K-H"	76.91904
"142245"	555.256558	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"2M+2K"	77.926316
"581560"	813.403258	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"3M+2K"	77.926316
"1068706"	297.109858	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2K"	77.926316
"1100252"	595.226992	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2K+H"	78.933592
"1337130"	595.314607	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+DMSO+H"	79.021207
"1007483"	599.353776	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2ACN+H"	83.060376
"1525973"	600.347408	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+IsoProp+Na+H"	84.054008
"990597"	300.180526	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+2ACN+2H"	84.067652
"1587895"	601.262028	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+K+HCOOH"	84.968628
"1419883"	631.293538	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+H+CF3COOH"	115.000138
"1158920"	320.693801	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+3ACN+2H"	125.094202
"1704097"	648.320085	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+NH4+CF3COOH"	132.026685
"1635374"	653.27548	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+Na+CF3COOH"	136.98208
"1586334"	669.24942	"C11991"	"L-Olivosyl-oleandolide"	"C26H44O10"	"516.2934"	"M+K+CF3COOH"	152.95602
"813419"	530.3091	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M"	0
"983670"	511.29071	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-H2O-H"	-19.01839
"73007"	352.532124	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M-3H"	-3.021828
"515846"	529.301824	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M-3H"	-3.021828
"883811"	175.762424	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-3H"	-3.021828
"4571"	529.301824	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M-2H"	-2.014552
"441944"	794.456374	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M-2H"	-2.014552
"818407"	264.147274	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-2H"	-2.014552
"78841"	1059.610924	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M-H"	-1.007276
"518849"	1589.920024	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M-H"	-1.007276
"899289"	529.301824	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-H"	-1.007276
"50748"	1076.637471	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M-2H+NH4"	16.019271
"489216"	1606.946571	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M-2H+NH4"	16.019271
"864416"	546.328371	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-2H+NH4"	16.019271
"33343"	1081.592866	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M-2H+Na"	20.974666
"474848"	1611.901966	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M-2H+Na"	20.974666
"851557"	551.283766	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-2H+Na"	20.974666
"1622184"	551.283766	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Na-2H"	20.974666
"101272"	547.290163	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M-H+Cl"	33.962126
"544116"	812.444713	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M-H+Cl"	33.962126
"936536"	282.135613	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-H+Cl"	33.962126
"282143"	1095.587602	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+Cl"	34.969402
"674564"	1625.896702	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+Cl"	34.969402
"1287899"	565.278502	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Cl"	34.969402
"27944"	1097.566806	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M-2H+K"	36.948606
"467139"	1627.875906	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M-2H+K"	36.948606
"846401"	567.257706	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-2H+K"	36.948606
"1567705"	567.257706	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+K-2H"	36.948606
"954495"	575.307294	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-H+HCOOH"	44.998194
"369428"	1105.616401	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+HCOOH-H"	44.998201
"353312"	1119.632051	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+Hac-H"	59.013851
"1501051"	589.322951	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Hac-H"	59.013851
"963126"	597.289251	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-H+NaCOOH"	66.980151
"115313"	565.278502	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+2Cl"	69.938804
"554872"	830.433052	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+2Cl"	69.938804
"1033519"	300.123952	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2Cl"	69.938804
"1256384"	609.227985	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Br"	78.918885
"1319193"	611.283972	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Cl+HCOOH"	80.974872
"1334505"	633.265929	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Cl+NaCOOH"	102.956829
"926176"	643.294686	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M-H+CF3COOH"	112.985586
"1303252"	679.271364	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Cl+CF3COOH"	148.962264
"1379340"	495.296424	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H-2H2O"	-35.012676
"1398069"	513.3064	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H-H2O"	-17.0027
"297872"	1061.625476	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+H"	1.007276
"688587"	1591.934576	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+H"	1.007276
"1366032"	531.316376	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H"	1.007276
"140137"	531.316376	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+2H"	2.014552
"579450"	796.470926	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+2H"	2.014552
"1050802"	266.161826	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2H"	2.014552
"216271"	354.546676	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+3H"	3.021828
"656924"	531.316376	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+3H"	3.021828
"1173226"	177.776976	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+3H"	3.021828
"428477"	1078.652023	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+NH4"	18.033823
"790566"	1608.961123	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+NH4"	18.033823
"1686896"	548.342923	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+NH4"	18.033823
"332258"	539.8296495	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+H+NH4"	19.041099
"728688"	804.9841995	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+H+NH4"	19.041099
"1487978"	274.6750995	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H+NH4"	19.041099
"404469"	1083.607418	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+Na"	22.989218
"763278"	1613.916518	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+Na"	22.989218
"1611374"	553.298318	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Na"	22.989218
"317041"	542.307347	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+H+Na"	23.996494
"710566"	807.461897	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+H+Na"	23.996494
"1464746"	277.152797	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H+Na"	23.996494
"1057627"	185.10429	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2H+Na"	25.00377
"1258940"	563.342586	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+CH3OH+H"	33.033486
"380068"	1099.581358	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+K"	38.963158
"750541"	1629.890458	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+K"	38.963158
"1548590"	569.272258	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+K"	38.963158
"310507"	550.294317	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+H+K"	39.970434
"702561"	815.448867	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+H+K"	39.970434
"1454198"	285.139767	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H+K"	39.970434
"244984"	1102.652026	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+ACN+H"	42.033826
"1216598"	572.342926	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+ACN+H"	42.033826
"1200480"	286.675101	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+ACN+2H"	43.041102
"198820"	1105.58936	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+2Na-H"	44.97116
"639475"	1635.89846	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+2Na-H"	44.97116
"1139699"	575.28026	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2Na-H"	44.97116
"179710"	553.298318	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+2Na"	45.978436
"621458"	818.452868	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+2Na"	45.978436
"1117669"	288.143768	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2Na"	45.978436
"1406300"	192.431604	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H+2Na"	46.985712
"1438416"	577.321846	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H+HCOOH"	47.012746
"233577"	558.33134	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+3H2O+2H"	56.04448
"1518359"	591.37389	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+IsoProp+H"	61.06479
"416954"	561.285288	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+Na+K"	61.952376
"781232"	826.439838	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+Na+K"	61.952376
"1678292"	296.130738	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Na+K"	61.952376
"260803"	1124.633968	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+ACN+Na"	64.015768
"1228772"	594.324868	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+ACN+Na"	64.015768
"1712875"	594.348393	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+NH4+HCOOH"	64.039293
"1178543"	199.758918	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+3Na"	68.967654
"1650391"	599.303788	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Na+HCOOH"	68.994688
"157456"	1137.53724	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+2K-H"	76.91904
"597290"	1667.84634	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+2K-H"	76.91904
"1085660"	607.22814	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2K-H"	76.91904
"141868"	569.272258	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"2M+2K"	77.926316
"581625"	834.426808	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"3M+2K"	77.926316
"1069105"	304.117708	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2K"	77.926316
"1100152"	609.242692	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2K+H"	78.933592
"1335639"	609.330307	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+DMSO+H"	79.021207
"1005644"	613.369476	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2ACN+H"	83.060376
"1530094"	614.363108	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+IsoProp+Na+H"	84.054008
"990707"	307.188376	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+2ACN+2H"	84.067652
"1588130"	615.277728	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+K+HCOOH"	84.968628
"1419993"	645.309238	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+H+CF3COOH"	115.000138
"1157937"	327.701651	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+3ACN+2H"	125.094202
"1704207"	662.335785	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+NH4+CF3COOH"	132.026685
"1642045"	667.29118	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+Na+CF3COOH"	136.98208
"1586444"	683.26512	"C11992"	"L-Oleandrosyl-oleandolide"	"C27H46O10"	"530.3091"	"M+K+CF3COOH"	152.95602
"816687"	296.1988	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M"	0
"983780"	277.18041	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-H2O-H"	-19.01839
"75304"	196.458590666667	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M-3H"	-3.021828
"514863"	295.191524	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M-3H"	-3.021828
"892668"	97.7256573333333	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-3H"	-3.021828
"5776"	295.191524	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M-2H"	-2.014552
"446428"	443.290924	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M-2H"	-2.014552
"819126"	147.092124	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-2H"	-2.014552
"80210"	591.390324	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M-H"	-1.007276
"521229"	887.589124	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M-H"	-1.007276
"902679"	295.191524	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-H"	-1.007276
"52680"	608.416871	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M-2H+NH4"	16.019271
"492242"	904.615671	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M-2H+NH4"	16.019271
"864567"	312.218071	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-2H+NH4"	16.019271
"37952"	613.372266	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M-2H+Na"	20.974666
"479696"	909.571066	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M-2H+Na"	20.974666
"859687"	317.173466	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-2H+Na"	20.974666
"1627033"	317.173466	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Na-2H"	20.974666
"105755"	313.179863	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M-H+Cl"	33.962126
"547142"	461.279263	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M-H+Cl"	33.962126
"938838"	165.080463	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-H+Cl"	33.962126
"281526"	627.367002	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+Cl"	34.969402
"674434"	923.565802	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+Cl"	34.969402
"1286473"	331.168202	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Cl"	34.969402
"28784"	629.346206	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M-2H+K"	36.948606
"468344"	925.545006	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M-2H+K"	36.948606
"847975"	333.147406	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-2H+K"	36.948606
"1569883"	333.147406	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+K-2H"	36.948606
"957444"	341.196994	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-H+HCOOH"	44.998194
"374278"	637.395801	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+HCOOH-H"	44.998201
"358162"	651.411451	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+Hac-H"	59.013851
"1505174"	355.212651	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Hac-H"	59.013851
"966518"	363.178951	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-H+NaCOOH"	66.980151
"117610"	331.168202	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+2Cl"	69.938804
"556076"	479.267602	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+2Cl"	69.938804
"1034358"	183.068802	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2Cl"	69.938804
"1256497"	375.117685	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Br"	78.918885
"1319846"	377.173672	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Cl+HCOOH"	80.974872
"1328780"	399.155629	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Cl+NaCOOH"	102.956829
"917651"	409.184386	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M-H+CF3COOH"	112.985586
"1301287"	445.161064	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Cl+CF3COOH"	148.962264
"1382211"	261.186124	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H-2H2O"	-35.012676
"1397812"	279.1961	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H-H2O"	-17.0027
"297861"	593.404876	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+H"	1.007276
"689066"	889.603676	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+H"	1.007276
"1365050"	297.206076	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H"	1.007276
"136112"	297.206076	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+2H"	2.014552
"578225"	445.305476	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+2H"	2.014552
"1049575"	149.106676	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2H"	2.014552
"217839"	198.473142666667	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+3H"	3.021828
"658493"	297.206076	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+3H"	3.021828
"1172971"	99.7402093333333	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+3H"	3.021828
"432962"	610.431423	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+NH4"	18.033823
"795051"	906.630223	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+NH4"	18.033823
"1690288"	314.232623	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+NH4"	18.033823
"340752"	305.7193495	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+H+NH4"	19.041099
"733173"	453.8187495	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+H+NH4"	19.041099
"1490642"	157.6199495	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H+NH4"	19.041099
"407620"	615.386818	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+Na"	22.989218
"768371"	911.585618	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+Na"	22.989218
"1617318"	319.188018	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Na"	22.989218
"320431"	308.197047	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+H+Na"	23.996494
"715050"	456.296447	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+H+Na"	23.996494
"1466681"	160.097647	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H+Na"	23.996494
"1059927"	107.067523333333	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2H+Na"	25.00377
"1263790"	329.232286	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+CH3OH+H"	33.033486
"380178"	631.360758	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+K"	38.963158
"748829"	927.559558	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+K"	38.963158
"1548698"	335.161958	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+K"	38.963158
"308059"	316.184017	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+H+K"	39.970434
"702668"	464.283417	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+H+K"	39.970434
"1452121"	168.084617	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H+K"	39.970434
"241815"	634.431426	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+ACN+H"	42.033826
"1216708"	338.232626	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+ACN+H"	42.033826
"1201684"	169.619951	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+ACN+2H"	43.041102
"190179"	637.36876	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+2Na-H"	44.97116
"631928"	933.56756	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+2Na-H"	44.97116
"1140904"	341.16996	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2Na-H"	44.97116
"182006"	319.188018	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+2Na"	45.978436
"622661"	467.287418	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+2Na"	45.978436
"1121062"	171.088618	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2Na"	45.978436
"1408597"	114.394837333333	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H+2Na"	46.985712
"1441807"	343.211546	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H+HCOOH"	47.012746
"227128"	324.22104	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+3H2O+2H"	56.04448
"1519564"	357.26359	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+IsoProp+H"	61.06479
"417065"	327.174988	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+Na+K"	61.952376
"782436"	475.274388	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+Na+K"	61.952376
"1679135"	179.075588	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Na+K"	61.952376
"264193"	656.413368	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+ACN+Na"	64.015768
"1234716"	360.214568	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+ACN+Na"	64.015768
"1717040"	360.238093	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+NH4+HCOOH"	64.039293
"1183122"	121.722151333333	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+3Na"	68.967654
"1654108"	365.193488	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Na+HCOOH"	68.994688
"159514"	669.31664	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+2K-H"	76.91904
"600529"	965.51544	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+2K-H"	76.91904
"1087960"	373.11784	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2K-H"	76.91904
"142181"	335.161958	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"2M+2K"	77.926316
"582063"	483.261358	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"3M+2K"	77.926316
"1068885"	187.062558	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2K"	77.926316
"1101330"	375.132392	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2K+H"	78.933592
"1337352"	375.220007	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+DMSO+H"	79.021207
"1007705"	379.259176	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2ACN+H"	83.060376
"1528017"	380.252808	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+IsoProp+Na+H"	84.054008
"993370"	190.133226	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+2ACN+2H"	84.067652
"1591156"	381.167428	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+K+HCOOH"	84.968628
"1428853"	411.198938	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+H+CF3COOH"	115.000138
"1161329"	210.646501	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+3ACN+2H"	125.094202
"1704317"	428.225485	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+NH4+CF3COOH"	132.026685
"1645435"	433.18088	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+Na+CF3COOH"	136.98208
"1586554"	449.15482	"C11993"	"10-Deoxymethynolide"	"C17H28O4"	"296.1988"	"M+K+CF3COOH"	152.95602
"807077"	453.309	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M"	0
"978421"	434.29061	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-H2O-H"	-19.01839
"66666"	301.198724	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M-3H"	-3.021828
"509506"	452.301724	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M-3H"	-3.021828
"884031"	150.095724	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-3H"	-3.021828
"8073"	452.301724	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M-2H"	-2.014552
"440219"	678.956224	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M-2H"	-2.014552
"817570"	225.647224	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-2H"	-2.014552
"79471"	905.610724	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M-H"	-1.007276
"519032"	1358.919724	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M-H"	-1.007276
"896220"	452.301724	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-H"	-1.007276
"47804"	922.637271	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M-2H+NH4"	16.019271
"489557"	1375.946271	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M-2H+NH4"	16.019271
"865288"	469.328271	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-2H+NH4"	16.019271
"38426"	927.592666	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M-2H+Na"	20.974666
"477620"	1380.901666	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M-2H+Na"	20.974666
"859797"	474.283666	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-2H+Na"	20.974666
"1626050"	474.283666	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Na-2H"	20.974666
"105865"	470.290063	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M-H+Cl"	33.962126
"544703"	696.944563	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M-H+Cl"	33.962126
"937489"	243.635563	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-H+Cl"	33.962126
"280419"	941.587402	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+Cl"	34.969402
"672841"	1394.896402	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+Cl"	34.969402
"1286337"	488.278402	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Cl"	34.969402
"29139"	943.566606	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M-2H+K"	36.948606
"470522"	1396.875606	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M-2H+K"	36.948606
"847355"	490.257606	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-2H+K"	36.948606
"1567924"	490.257606	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+K-2H"	36.948606
"953620"	498.307194	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-H+HCOOH"	44.998194
"374021"	951.616201	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+HCOOH-H"	44.998201
"358997"	965.631851	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+Hac-H"	59.013851
"1503459"	512.322851	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Hac-H"	59.013851
"969543"	520.289151	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-H+NaCOOH"	66.980151
"115533"	488.278402	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+2Cl"	69.938804
"551812"	714.932902	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+2Cl"	69.938804
"1034832"	261.623902	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2Cl"	69.938804
"1256118"	532.227885	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Br"	78.918885
"1318685"	534.283872	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Cl+HCOOH"	80.974872
"1332172"	556.265829	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Cl+NaCOOH"	102.956829
"922865"	566.294586	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M-H+CF3COOH"	112.985586
"1301761"	602.271264	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Cl+CF3COOH"	148.962264
"1378100"	418.296324	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H-2H2O"	-35.012676
"1398153"	436.3063	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H-H2O"	-17.0027
"297727"	907.625276	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+H"	1.007276
"690757"	1360.934276	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+H"	1.007276
"1366013"	454.316276	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H"	1.007276
"138409"	454.316276	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+2H"	2.014552
"579065"	680.970776	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+2H"	2.014552
"1050049"	227.661776	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2H"	2.014552
"217220"	303.213276	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+3H"	3.021828
"658117"	454.316276	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+3H"	3.021828
"1173081"	152.110276	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+3H"	3.021828
"433072"	924.651823	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+NH4"	18.033823
"795161"	1377.960823	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+NH4"	18.033823
"1693678"	471.342823	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+NH4"	18.033823
"343049"	462.8295495	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+H+NH4"	19.041099
"733283"	689.4840495	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+H+NH4"	19.041099
"1491481"	236.1750495	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H+NH4"	19.041099
"406514"	929.607218	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+Na"	22.989218
"767872"	1382.916218	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+Na"	22.989218
"1615969"	476.298218	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Na"	22.989218
"324915"	465.307247	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+H+Na"	23.996494
"715160"	691.961747	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+H+Na"	23.996494
"1466424"	238.652747	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H+Na"	23.996494
"1062222"	159.43759	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2H+Na"	25.00377
"1263900"	486.342486	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+CH3OH+H"	33.033486
"384662"	945.581158	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+K"	38.963158
"747844"	1398.890158	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+K"	38.963158
"1552088"	492.272158	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+K"	38.963158
"309263"	473.294217	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+H+K"	39.970434
"701682"	699.948717	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+H+K"	39.970434
"1453324"	246.639717	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H+K"	39.970434
"243018"	948.651826	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+ACN+H"	42.033826
"1220098"	495.342826	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+ACN+H"	42.033826
"1200700"	248.175051	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+ACN+2H"	43.041102
"191746"	951.58916	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+2Na-H"	44.97116
"632038"	1404.89816	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+2Na-H"	44.97116
"1141013"	498.28016	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2Na-H"	44.97116
"181022"	476.298218	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+2Na"	45.978436
"620583"	702.952718	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+2Na"	45.978436
"1118619"	249.643718	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2Na"	45.978436
"1404333"	166.764904	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H+2Na"	46.985712
"1439730"	500.321746	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H+HCOOH"	47.012746
"229424"	481.33124	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+3H2O+2H"	56.04448
"1519674"	514.37379	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+IsoProp+H"	61.06479
"416082"	484.285188	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+Na+K"	61.952376
"781452"	710.939688	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+Na+K"	61.952376
"1676692"	257.630688	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Na+K"	61.952376
"262118"	970.633768	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+ACN+Na"	64.015768
"1234826"	517.324768	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+ACN+Na"	64.015768
"1717517"	517.348293	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+NH4+HCOOH"	64.039293
"1180681"	174.092218	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+3Na"	68.967654
"1651666"	522.303688	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Na+HCOOH"	68.994688
"158896"	983.53704	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+2K-H"	76.91904
"598454"	1436.84604	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+2K-H"	76.91904
"1088800"	530.22804	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2K-H"	76.91904
"141968"	492.272158	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"2M+2K"	77.926316
"581526"	718.926658	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"3M+2K"	77.926316
"1068956"	265.617658	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2K"	77.926316
"1101561"	532.242592	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2K+H"	78.933592
"1337462"	532.330207	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+DMSO+H"	79.021207
"1008908"	536.369376	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2ACN+H"	83.060376
"1528127"	537.363008	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+IsoProp+Na+H"	84.054008
"992387"	268.688326	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+2ACN+2H"	84.067652
"1592360"	538.277628	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+K+HCOOH"	84.968628
"1425682"	568.309138	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+H+CF3COOH"	115.000138
"1161805"	289.201601	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+3ACN+2H"	125.094202
"1704427"	585.335685	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+NH4+CF3COOH"	132.026685
"1638984"	590.29108	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+Na+CF3COOH"	136.98208
"1586664"	606.26502	"C11994"	"10-Deoxymethymycin;YC-17"	"C25H43NO6"	"453.309"	"M+K+CF3COOH"	152.95602
"815210"	469.304	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M"	0
"985099"	450.28561	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-H2O-H"	-19.01839
"74434"	311.862057333333	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M-3H"	-3.021828
"509622"	468.296724	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M-3H"	-3.021828
"882318"	155.427390666667	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-3H"	-3.021828
"6001"	468.296724	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M-2H"	-2.014552
"442280"	702.948724	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M-2H"	-2.014552
"818009"	233.644724	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-2H"	-2.014552
"79702"	937.600724	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M-H"	-1.007276
"520114"	1406.904724	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M-H"	-1.007276
"896452"	468.296724	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-H"	-1.007276
"48034"	954.627271	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M-2H+NH4"	16.019271
"487109"	1423.931271	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M-2H+NH4"	16.019271
"877441"	485.323271	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-2H+NH4"	16.019271
"41451"	959.582666	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M-2H+Na"	20.974666
"483197"	1428.886666	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M-2H+Na"	20.974666
"862827"	490.278666	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-2H+Na"	20.974666
"1633336"	490.278666	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Na-2H"	20.974666
"108529"	486.285063	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M-H+Cl"	33.962126
"549760"	720.937063	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M-H+Cl"	33.962126
"939782"	251.633063	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-H+Cl"	33.962126
"281624"	973.577402	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+Cl"	34.969402
"675262"	1442.881402	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+Cl"	34.969402
"1287058"	504.273402	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Cl"	34.969402
"29735"	975.556606	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M-2H+K"	36.948606
"470637"	1444.860606	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M-2H+K"	36.948606
"847830"	506.252606	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-2H+K"	36.948606
"1570221"	506.252606	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+K-2H"	36.948606
"954822"	514.302194	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-H+HCOOH"	44.998194
"374131"	983.606201	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+HCOOH-H"	44.998201
"351455"	997.621851	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+Hac-H"	59.013851
"1504301"	528.317851	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Hac-H"	59.013851
"971843"	536.284151	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-H+NaCOOH"	66.980151
"121112"	504.273402	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+2Cl"	69.938804
"562860"	738.925402	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+2Cl"	69.938804
"1036406"	269.621402	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2Cl"	69.938804
"1255253"	548.222885	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Br"	78.918885
"1319165"	550.278872	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Cl+HCOOH"	80.974872
"1334714"	572.260829	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Cl+NaCOOH"	102.956829
"924071"	582.289586	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M-H+CF3COOH"	112.985586
"1301144"	618.266264	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Cl+CF3COOH"	148.962264
"1381131"	434.291324	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H-2H2O"	-35.012676
"1398030"	452.3013	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H-H2O"	-17.0027
"296502"	939.615276	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+H"	1.007276
"689286"	1408.919276	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+H"	1.007276
"1366000"	470.311276	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H"	1.007276
"139987"	470.311276	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+2H"	2.014552
"580758"	704.963276	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+2H"	2.014552
"1050533"	235.659276	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2H"	2.014552
"218067"	313.876609333333	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+3H"	3.021828
"656529"	470.311276	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+3H"	3.021828
"1178059"	157.441942666667	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+3H"	3.021828
"435372"	956.641823	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+NH4"	18.033823
"796733"	1425.945823	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+NH4"	18.033823
"1691604"	487.337823	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+NH4"	18.033823
"340976"	478.8245495	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+H+NH4"	19.041099
"734490"	713.4765495	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+H+NH4"	19.041099
"1489404"	244.1725495	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H+NH4"	19.041099
"398242"	961.597218	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+Na"	22.989218
"762518"	1430.901218	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+Na"	22.989218
"1613896"	492.293218	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Na"	22.989218
"325035"	481.302247	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+H+Na"	23.996494
"720983"	715.954247	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+H+Na"	23.996494
"1470185"	246.650247	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H+Na"	23.996494
"1057959"	164.769256666667	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2H+Na"	25.00377
"1264016"	502.337486	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+CH3OH+H"	33.033486
"390978"	977.571158	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+K"	38.963158
"750152"	1446.875158	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+K"	38.963158
"1552202"	508.267158	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+K"	38.963158
"310108"	489.289217	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+H+K"	39.970434
"698517"	723.941217	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+H+K"	39.970434
"1456713"	254.637217	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H+K"	39.970434
"243126"	980.641826	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+ACN+H"	42.033826
"1218021"	511.337826	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+ACN+H"	42.033826
"1206280"	256.172551	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+ACN+2H"	43.041102
"200246"	983.57916	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+2Na-H"	44.97116
"639807"	1452.88316	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+2Na-H"	44.97116
"1145749"	514.27516	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2Na-H"	44.97116
"183321"	492.293218	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+2Na"	45.978436
"627018"	726.945218	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+2Na"	45.978436
"1127122"	257.641218	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2Na"	45.978436
"1408819"	172.096570666667	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H+2Na"	46.985712
"1436562"	516.316746	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H+HCOOH"	47.012746
"226257"	497.32624	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+3H2O+2H"	56.04448
"1520882"	530.36879	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+IsoProp+H"	61.06479
"420572"	500.280188	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+Na+K"	61.952376
"782295"	734.932188	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+Na+K"	61.952376
"1677895"	265.628188	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Na+K"	61.952376
"261136"	1002.623768	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+ACN+Na"	64.015768
"1232752"	533.319768	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+ACN+Na"	64.015768
"1716533"	533.343293	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+NH4+HCOOH"	64.039293
"1183713"	179.423884666667	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+3Na"	68.967654
"1656888"	538.298688	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Na+HCOOH"	68.994688
"163749"	1015.52704	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+2K-H"	76.91904
"605495"	1484.83104	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+2K-H"	76.91904
"1099366"	546.22304	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2K-H"	76.91904
"149012"	508.267158	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"2M+2K"	77.926316
"591853"	742.919158	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"3M+2K"	77.926316
"1075271"	273.615158	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2K"	77.926316
"1106293"	548.237592	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2K+H"	78.933592
"1342676"	548.325207	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+DMSO+H"	79.021207
"1010113"	552.364376	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2ACN+H"	83.060376
"1532615"	553.358008	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+IsoProp+Na+H"	84.054008
"994688"	276.685826	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+2ACN+2H"	84.067652
"1590284"	554.272628	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+K+HCOOH"	84.968628
"1427978"	584.304138	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+H+CF3COOH"	115.000138
"1162036"	297.199101	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+3ACN+2H"	125.094202
"1704537"	601.330685	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+NH4+CF3COOH"	132.026685
"1639094"	606.28608	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+Na+CF3COOH"	136.98208
"1586774"	622.26002	"C11995"	"Neomethymycin"	"C25H43NO7"	"469.304"	"M+K+CF3COOH"	152.95602
"807297"	469.304	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M"	0
"978641"	450.28561	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-H2O-H"	-19.01839
"65427"	311.862057333333	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M-3H"	-3.021828
"507903"	468.296724	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M-3H"	-3.021828
"883157"	155.427390666667	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-3H"	-3.021828
"7204"	468.296724	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M-2H"	-2.014552
"443118"	702.948724	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M-2H"	-2.014552
"820186"	233.644724	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-2H"	-2.014552
"80543"	937.600724	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M-H"	-1.007276
"519251"	1406.904724	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M-H"	-1.007276
"897176"	468.296724	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-H"	-1.007276
"47418"	954.627271	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M-2H+NH4"	16.019271
"487248"	1423.931271	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M-2H+NH4"	16.019271
"877915"	485.323271	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-2H+NH4"	16.019271
"41562"	959.582666	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M-2H+Na"	20.974666
"484400"	1428.886666	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M-2H+Na"	20.974666
"863180"	490.278666	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-2H+Na"	20.974666
"1633849"	490.278666	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Na-2H"	20.974666
"109249"	486.285063	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M-H+Cl"	33.962126
"549944"	720.937063	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M-H+Cl"	33.962126
"942205"	251.633063	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-H+Cl"	33.962126
"282425"	973.577402	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+Cl"	34.969402
"675088"	1442.881402	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+Cl"	34.969402
"1288181"	504.273402	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Cl"	34.969402
"31363"	975.556606	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M-2H+K"	36.948606
"470144"	1444.860606	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M-2H+K"	36.948606
"848409"	506.252606	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-2H+K"	36.948606
"1570983"	506.252606	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+K-2H"	36.948606
"952747"	514.302194	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-H+HCOOH"	44.998194
"376755"	983.606201	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+HCOOH-H"	44.998201
"358126"	997.621851	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+Hac-H"	59.013851
"1508146"	528.317851	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Hac-H"	59.013851
"973904"	536.284151	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-H+NaCOOH"	66.980151
"123410"	504.273402	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+2Cl"	69.938804
"561877"	738.925402	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+2Cl"	69.938804
"1036988"	269.621402	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2Cl"	69.938804
"1255735"	548.222885	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Br"	78.918885
"1317819"	550.278872	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Cl+HCOOH"	80.974872
"1334587"	572.260829	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Cl+NaCOOH"	102.956829
"926012"	582.289586	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M-H+CF3COOH"	112.985586
"1303083"	618.266264	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Cl+CF3COOH"	148.962264
"1381243"	434.291324	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H-2H2O"	-35.012676
"1398415"	452.3013	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H-H2O"	-17.0027
"298526"	939.615276	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+H"	1.007276
"690738"	1408.919276	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+H"	1.007276
"1366476"	470.311276	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H"	1.007276
"140459"	470.311276	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+2H"	2.014552
"580630"	704.963276	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+2H"	2.014552
"1051250"	235.659276	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2H"	2.014552
"218175"	313.876609333333	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+3H"	3.021828
"658829"	470.311276	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+3H"	3.021828
"1176473"	157.441942666667	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+3H"	3.021828
"438401"	956.641823	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+NH4"	18.033823
"800370"	1425.945823	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+NH4"	18.033823
"1691714"	487.337823	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+NH4"	18.033823
"343275"	478.8245495	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+H+NH4"	19.041099
"734601"	713.4765495	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+H+NH4"	19.041099
"1487327"	244.1725495	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H+NH4"	19.041099
"398351"	961.597218	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+Na"	22.989218
"763721"	1430.901218	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+Na"	22.989218
"1615829"	492.293218	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Na"	22.989218
"325145"	481.302247	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+H+Na"	23.996494
"721579"	715.954247	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+H+Na"	23.996494
"1470295"	246.650247	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H+Na"	23.996494
"1061352"	164.769256666667	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2H+Na"	25.00377
"1268500"	502.337486	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+CH3OH+H"	33.033486
"389267"	977.571158	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+K"	38.963158
"749171"	1446.875158	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+K"	38.963158
"1553773"	508.267158	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+K"	38.963158
"308395"	489.289217	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+H+K"	39.970434
"699720"	723.941217	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+H+K"	39.970434
"1460103"	254.637217	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H+K"	39.970434
"246518"	980.641826	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+ACN+H"	42.033826
"1220321"	511.337826	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+ACN+H"	42.033826
"1209471"	256.172551	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+ACN+2H"	43.041102
"202545"	983.57916	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+2Na-H"	44.97116
"643199"	1452.88316	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+2Na-H"	44.97116
"1145250"	514.27516	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2Na-H"	44.97116
"186716"	492.293218	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+2Na"	45.978436
"624817"	726.945218	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+2Na"	45.978436
"1128687"	257.641218	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2Na"	45.978436
"1411117"	172.096570666667	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H+2Na"	46.985712
"1441047"	516.316746	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H+HCOOH"	47.012746
"226367"	497.32624	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+3H2O+2H"	56.04448
"1516618"	530.36879	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+IsoProp+H"	61.06479
"419589"	500.280188	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+Na+K"	61.952376
"781675"	734.932188	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+Na+K"	61.952376
"1675818"	265.628188	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Na+K"	61.952376
"262340"	1002.623768	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+ACN+Na"	64.015768
"1235048"	533.319768	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+ACN+Na"	64.015768
"1720655"	533.343293	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+NH4+HCOOH"	64.039293
"1183823"	179.423884666667	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+3Na"	68.967654
"1656998"	538.298688	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Na+HCOOH"	68.994688
"164953"	1015.52704	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+2K-H"	76.91904
"604512"	1484.83104	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+2K-H"	76.91904
"1099808"	546.22304	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2K-H"	76.91904
"148029"	508.267158	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"2M+2K"	77.926316
"591963"	742.919158	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"3M+2K"	77.926316
"1076475"	273.615158	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2K"	77.926316
"1108590"	548.237592	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2K+H"	78.933592
"1341694"	548.325207	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+DMSO+H"	79.021207
"1012411"	552.364376	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2ACN+H"	83.060376
"1532725"	553.358008	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+IsoProp+Na+H"	84.054008
"995891"	276.685826	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+2ACN+2H"	84.067652
"1590394"	554.272628	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+K+HCOOH"	84.968628
"1425901"	584.304138	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+H+CF3COOH"	115.000138
"1162268"	297.199101	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+3ACN+2H"	125.094202
"1704647"	601.330685	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+NH4+CF3COOH"	132.026685
"1639204"	606.28608	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+Na+CF3COOH"	136.98208
"1586884"	622.26002	"C11996"	"Methymycin"	"C25H43NO7"	"469.304"	"M+K+CF3COOH"	152.95602
"807408"	352.225	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M"	0
"979848"	333.20661	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"72465"	233.809390666667	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"510934"	351.217724	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"887642"	116.401057333333	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"8403"	351.217724	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"440223"	527.330224	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"818839"	175.105224	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"79237"	703.442724	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"518712"	1055.667724	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"896559"	351.217724	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"47448"	720.469271	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"487130"	1072.694271	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"871583"	368.244271	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"35108"	725.424666	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"477950"	1077.649666	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"861225"	373.199666	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1628571"	373.199666	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"109915"	369.206063	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"549781"	545.318563	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"941831"	193.093563	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"282700"	739.419402	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"675281"	1091.644402	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1288438"	387.194402	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"31250"	741.398606	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"470822"	1093.623606	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"848499"	389.173606	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1571255"	389.173606	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"952493"	397.223194	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"376542"	749.448201	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"356415"	763.463851	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1508367"	411.238851	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"974188"	419.205151	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"125222"	387.194402	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"562716"	563.306902	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1030784"	211.081902	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1249269"	431.143885	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1319386"	433.199872	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1335057"	455.181829	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"926122"	465.210586	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1302826"	501.187264	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1379895"	317.212324	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1398283"	335.2223	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"295631"	705.457276	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"690604"	1057.682276	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1366870"	353.232276	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H"	1.007276
"140203"	353.232276	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"580496"	529.344776	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1052209"	177.119776	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"219013"	235.823942666667	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"659631"	353.232276	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1176706"	118.415609333333	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"436689"	722.483823	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"798778"	1074.708823	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1690731"	370.258823	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"343021"	361.7455495	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"736170"	537.8580495	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1488166"	185.6330495	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"396638"	727.439218	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"756178"	1079.664218	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1614115"	375.214218	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"325255"	364.223247	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"721568"	540.335747	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1470405"	188.110747	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1061462"	125.742923333333	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1265330"	385.258486	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"391563"	743.413158	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"752196"	1095.638158	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1554125"	391.188158	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+K"	38.963158
"309598"	372.210217	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"698737"	548.322717	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1456933"	196.097717	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"246628"	746.483826	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1219338"	394.258826	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1206502"	197.633051	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"200468"	749.42116	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"640028"	1101.64616	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1142442"	397.19616	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"184638"	375.214218	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"622010"	551.326718	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1125517"	199.101718	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1406853"	133.070237333333	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1438970"	399.237746	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"226477"	380.24724	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1515635"	413.28979	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"419699"	383.201188	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"780692"	559.313688	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1675928"	207.088688	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"263544"	768.465768	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1235158"	416.240768	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1720764"	416.264293	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1187213"	140.397551333333	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1657472"	421.219688	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"167250"	781.36904	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"603529"	1133.59404	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1099891"	429.14404	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"148139"	391.188158	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"592073"	567.300658	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1076585"	215.075658	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1108700"	431.158592	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1345084"	431.246207	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1012521"	435.285376	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1532835"	436.279008	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"993816"	218.146326	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1593787"	437.193628	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1429294"	467.225138	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1162625"	238.659601	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1708038"	484.251685	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1648793"	489.20708	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1586994"	505.18102	"C11997"	"Narbonolide"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"807518"	509.3353	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M"	0
"981051"	490.31691	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-H2O-H"	-19.01839
"73668"	338.549590666667	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M-3H"	-3.021828
"513230"	508.328024	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M-3H"	-3.021828
"888845"	168.771157333333	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-3H"	-3.021828
"8513"	508.328024	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M-2H"	-2.014552
"440781"	762.995674	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M-2H"	-2.014552
"820772"	253.660374	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-2H"	-2.014552
"81128"	1017.663324	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M-H"	-1.007276
"520322"	1526.998624	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M-H"	-1.007276
"896178"	508.328024	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-H"	-1.007276
"50678"	1034.689871	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M-2H+NH4"	16.019271
"487350"	1544.025171	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M-2H+NH4"	16.019271
"872786"	525.354571	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-2H+NH4"	16.019271
"36311"	1039.645266	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M-2H+Na"	20.974666
"475873"	1548.980566	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M-2H+Na"	20.974666
"850757"	530.309966	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-2H+Na"	20.974666
"1623209"	530.309966	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Na-2H"	20.974666
"97914"	526.316363	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M-H+Cl"	33.962126
"540395"	780.984013	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M-H+Cl"	33.962126
"938287"	271.648713	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-H+Cl"	33.962126
"279032"	1053.640002	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+Cl"	34.969402
"667079"	1562.975302	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+Cl"	34.969402
"1284949"	544.304702	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Cl"	34.969402
"25318"	1055.619206	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M-2H+K"	36.948606
"469253"	1564.954506	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M-2H+K"	36.948606
"848158"	546.283906	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-2H+K"	36.948606
"1570554"	546.283906	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+K-2H"	36.948606
"955522"	554.333494	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-H+HCOOH"	44.998194
"376168"	1063.668801	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+HCOOH-H"	44.998201
"359565"	1077.684451	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+Hac-H"	59.013851
"1507912"	568.349151	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Hac-H"	59.013851
"965972"	576.315451	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-H+NaCOOH"	66.980151
"114880"	544.304702	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+2Cl"	69.938804
"558814"	798.972352	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+2Cl"	69.938804
"1021780"	289.637052	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2Cl"	69.938804
"1242816"	588.254185	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Br"	78.918885
"1316203"	590.310172	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Cl+HCOOH"	80.974872
"1333705"	612.292129	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Cl+NaCOOH"	102.956829
"926907"	622.320886	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M-H+CF3COOH"	112.985586
"1304102"	658.297564	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Cl+CF3COOH"	148.962264
"1382597"	474.322624	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H-2H2O"	-35.012676
"1396403"	492.3326	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H-H2O"	-17.0027
"295725"	1019.677876	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+H"	1.007276
"689973"	1529.013176	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+H"	1.007276
"1366935"	510.342576	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H"	1.007276
"140670"	510.342576	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+2H"	2.014552
"580477"	765.010226	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+2H"	2.014552
"1051219"	255.674926	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2H"	2.014552
"214741"	340.564142666667	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+3H"	3.021828
"657218"	510.342576	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+3H"	3.021828
"1177652"	170.785709333333	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+3H"	3.021828
"434606"	1036.704423	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+NH4"	18.033823
"795600"	1546.039723	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+NH4"	18.033823
"1691931"	527.369123	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+NH4"	18.033823
"336926"	518.8558495	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+H+NH4"	19.041099
"731536"	773.5234995	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+H+NH4"	19.041099
"1489731"	264.1881995	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H+NH4"	19.041099
"402941"	1041.659818	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+Na"	22.989218
"766124"	1550.995118	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+Na"	22.989218
"1610943"	532.324518	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Na"	22.989218
"325354"	521.333547	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+H+Na"	23.996494
"709400"	776.001197	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+H+Na"	23.996494
"1461715"	266.665897	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H+Na"	23.996494
"1052805"	178.113023333333	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2H+Na"	25.00377
"1258506"	542.368786	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+CH3OH+H"	33.033486
"377153"	1057.633758	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+K"	38.963158
"739534"	1566.969058	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+K"	38.963158
"1547056"	548.298458	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+K"	38.963158
"303141"	529.320517	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+H+K"	39.970434
"692642"	783.988167	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+H+K"	39.970434
"1447191"	274.652867	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H+K"	39.970434
"237252"	1060.704426	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+ACN+H"	42.033826
"1220538"	551.369126	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+ACN+H"	42.033826
"1204420"	276.188201	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+ACN+2H"	43.041102
"192915"	1063.64176	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+2Na-H"	44.97116
"631018"	1572.97706	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+2Na-H"	44.97116
"1131966"	554.30646	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2Na-H"	44.97116
"178181"	532.324518	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+2Na"	45.978436
"618468"	786.992168	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+2Na"	45.978436
"1125620"	277.656868	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2Na"	45.978436
"1403678"	185.440337333333	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H+2Na"	46.985712
"1433241"	556.348046	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H+HCOOH"	47.012746
"227675"	537.35754	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+3H2O+2H"	56.04448
"1516831"	570.40009	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+IsoProp+H"	61.06479
"416518"	540.311488	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+Na+K"	61.952376
"774236"	794.979138	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+Na+K"	61.952376
"1676767"	285.643838	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Na+K"	61.952376
"260370"	1082.686368	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+ACN+Na"	64.015768
"1231985"	573.351068	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+ACN+Na"	64.015768
"1717592"	573.374593	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+NH4+HCOOH"	64.039293
"1181852"	192.767651333333	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+3Na"	68.967654
"1649908"	578.329988	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Na+HCOOH"	68.994688
"158846"	1095.58964	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+2K-H"	76.91904
"597434"	1604.92494	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+2K-H"	76.91904
"1084290"	586.25434	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2K-H"	76.91904
"141802"	548.298458	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"2M+2K"	77.926316
"581512"	802.966108	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"3M+2K"	77.926316
"1069271"	293.630808	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2K"	77.926316
"1102001"	588.268892	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2K+H"	78.933592
"1335700"	588.356507	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+DMSO+H"	79.021207
"1008376"	592.395676	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2ACN+H"	83.060376
"1524921"	593.389308	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+IsoProp+Na+H"	84.054008
"990148"	296.701476	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+2ACN+2H"	84.067652
"1587569"	594.303928	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+K+HCOOH"	84.968628
"1416636"	624.335438	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+H+CF3COOH"	115.000138
"1152030"	317.214751	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+3ACN+2H"	125.094202
"1699395"	641.361985	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+NH4+CF3COOH"	132.026685
"1639423"	646.31738	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+Na+CF3COOH"	136.98208
"1572885"	662.29132	"C11998"	"Narbomycin"	"C28H47NO7"	"509.3353"	"M+K+CF3COOH"	152.95602
"809816"	525.3302	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M"	0
"982255"	506.31181	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-H2O-H"	-19.01839
"75967"	349.212857333333	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M-3H"	-3.021828
"512247"	524.322924	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M-3H"	-3.021828
"884581"	174.102790666667	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-3H"	-3.021828
"6435"	524.322924	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M-2H"	-2.014552
"440443"	786.988024	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M-2H"	-2.014552
"820519"	261.657824	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-2H"	-2.014552
"80874"	1049.653124	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M-H"	-1.007276
"520796"	1574.983324	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M-H"	-1.007276
"897627"	524.322924	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-H"	-1.007276
"50424"	1066.679671	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M-2H+NH4"	16.019271
"488768"	1592.009871	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M-2H+NH4"	16.019271
"869616"	541.349471	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-2H+NH4"	16.019271
"35692"	1071.635066	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M-2H+Na"	20.974666
"473184"	1596.965266	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M-2H+Na"	20.974666
"850503"	546.304866	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-2H+Na"	20.974666
"1623319"	546.304866	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Na-2H"	20.974666
"97295"	542.311263	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M-H+Cl"	33.962126
"540502"	804.976363	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M-H+Cl"	33.962126
"929641"	279.646163	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-H+Cl"	33.962126
"276956"	1085.629802	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+Cl"	34.969402
"667189"	1610.960002	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+Cl"	34.969402
"1281779"	560.299602	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Cl"	34.969402
"25428"	1087.609006	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M-2H+K"	36.948606
"468270"	1612.939206	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M-2H+K"	36.948606
"847175"	562.278806	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-2H+K"	36.948606
"1570300"	562.278806	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+K-2H"	36.948606
"957090"	570.328394	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-H+HCOOH"	44.998194
"375670"	1095.658601	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+HCOOH-H"	44.998201
"359188"	1109.674251	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+Hac-H"	59.013851
"1507291"	584.344051	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Hac-H"	59.013851
"966082"	592.310351	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-H+NaCOOH"	66.980151
"114990"	560.299602	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+2Cl"	69.938804
"558924"	822.964702	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+2Cl"	69.938804
"1021644"	297.634502	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2Cl"	69.938804
"1241871"	604.249085	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Br"	78.918885
"1318142"	606.305072	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Cl+HCOOH"	80.974872
"1333451"	628.287029	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Cl+NaCOOH"	102.956829
"925970"	638.315786	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M-H+CF3COOH"	112.985586
"1302923"	674.292464	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Cl+CF3COOH"	148.962264
"1381083"	490.317524	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H-2H2O"	-35.012676
"1396879"	508.3275	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H-H2O"	-17.0027
"295471"	1051.667676	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+H"	1.007276
"688990"	1576.997876	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+H"	1.007276
"1366944"	526.337476	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H"	1.007276
"139201"	526.337476	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+2H"	2.014552
"579248"	789.002576	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+2H"	2.014552
"1048048"	263.672376	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2H"	2.014552
"214851"	351.227409333333	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+3H"	3.021828
"656599"	526.337476	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+3H"	3.021828
"1175816"	176.117342666667	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+3H"	3.021828
"435809"	1068.694223	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+NH4"	18.033823
"795710"	1594.024423	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+NH4"	18.033823
"1690947"	543.364023	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+NH4"	18.033823
"337036"	534.8507495	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+H+NH4"	19.041099
"732740"	797.5158495	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+H+NH4"	19.041099
"1485467"	272.1856495	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H+NH4"	19.041099
"404146"	1073.649618	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+Na"	22.989218
"762955"	1598.979818	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+Na"	22.989218
"1614333"	548.319418	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Na"	22.989218
"322184"	537.328447	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+H+Na"	23.996494
"709510"	799.993547	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+H+Na"	23.996494
"1461611"	274.663347	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H+Na"	23.996494
"1052959"	183.444656666667	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2H+Na"	25.00377
"1257278"	558.363686	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+CH3OH+H"	33.033486
"377667"	1089.623558	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+K"	38.963158
"739644"	1614.953758	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+K"	38.963158
"1547166"	564.293358	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+K"	38.963158
"302886"	545.315417	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+H+K"	39.970434
"692873"	807.980517	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+H+K"	39.970434
"1452044"	282.650317	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H+K"	39.970434
"237362"	1092.694226	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+ACN+H"	42.033826
"1218462"	567.364026	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+ACN+H"	42.033826
"1202344"	284.185651	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+ACN+2H"	43.041102
"193025"	1095.63156	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+2Na-H"	44.97116
"629668"	1620.96176	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+2Na-H"	44.97116
"1136822"	570.30136	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2Na-H"	44.97116
"179386"	548.319418	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+2Na"	45.978436
"618947"	810.984518	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+2Na"	45.978436
"1123545"	285.654318	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2Na"	45.978436
"1403789"	190.771970666667	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H+2Na"	46.985712
"1438092"	572.342946	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H+HCOOH"	47.012746
"223413"	553.35244	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+3H2O+2H"	56.04448
"1512569"	586.39499	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+IsoProp+H"	61.06479
"414441"	556.306388	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+Na+K"	61.952376
"775439"	818.971488	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+Na+K"	61.952376
"1669582"	293.641288	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Na+K"	61.952376
"258293"	1114.676168	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+ACN+Na"	64.015768
"1230273"	589.345968	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+ACN+Na"	64.015768
"1715514"	589.369493	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+NH4+HCOOH"	64.039293
"1180870"	198.099284666667	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+3Na"	68.967654
"1650184"	594.324888	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Na+HCOOH"	68.994688
"157904"	1127.57944	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+2K-H"	76.91904
"598762"	1652.90964	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+2K-H"	76.91904
"1088260"	602.24924	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2K-H"	76.91904
"141831"	564.293358	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"2M+2K"	77.926316
"581631"	826.958458	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"3M+2K"	77.926316
"1070363"	301.628258	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2K"	77.926316
"1104545"	604.263792	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2K+H"	78.933592
"1337648"	604.351407	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+DMSO+H"	79.021207
"1006540"	608.390576	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2ACN+H"	83.060376
"1525639"	609.384208	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+IsoProp+Na+H"	84.054008
"990993"	304.698926	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+2ACN+2H"	84.067652
"1587558"	610.298828	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+K+HCOOH"	84.968628
"1415652"	640.330338	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+H+CF3COOH"	115.000138
"1152140"	325.212201	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+3ACN+2H"	125.094202
"1699505"	657.356885	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+NH4+CF3COOH"	132.026685
"1639533"	662.31228	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+Na+CF3COOH"	136.98208
"1572995"	678.28622	"C11999"	"Pikromycin"	"C28H47NO8"	"525.3302"	"M+K+CF3COOH"	152.95602
"807737"	394.2719	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M"	0
"977989"	375.25351	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-H2O-H"	-19.01839
"73888"	261.840657333333	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M-3H"	-3.021828
"512357"	393.264624	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M-3H"	-3.021828
"885783"	130.416690666667	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-3H"	-3.021828
"6545"	393.264624	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M-2H"	-2.014552
"440636"	590.400574	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M-2H"	-2.014552
"817706"	196.128674	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-2H"	-2.014552
"81714"	787.536524	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M-H"	-1.007276
"519446"	1181.808424	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M-H"	-1.007276
"897252"	393.264624	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-H"	-1.007276
"48222"	804.563071	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M-2H+NH4"	16.019271
"488270"	1198.834971	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M-2H+NH4"	16.019271
"871183"	410.291171	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-2H+NH4"	16.019271
"35802"	809.518466	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M-2H+Na"	20.974666
"474266"	1203.790366	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M-2H+Na"	20.974666
"851342"	415.246566	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-2H+Na"	20.974666
"1623793"	415.246566	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Na-2H"	20.974666
"97770"	411.252963	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M-H+Cl"	33.962126
"540612"	608.388913	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M-H+Cl"	33.962126
"929387"	214.117013	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-H+Cl"	33.962126
"278159"	823.513202	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+Cl"	34.969402
"666205"	1217.785102	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+Cl"	34.969402
"1281889"	429.241302	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Cl"	34.969402
"23351"	825.492406	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M-2H+K"	36.948606
"462913"	1219.764306	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M-2H+K"	36.948606
"847406"	431.220506	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-2H+K"	36.948606
"1570046"	431.220506	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+K-2H"	36.948606
"956353"	439.270094	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-H+HCOOH"	44.998194
"375413"	833.542001	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+HCOOH-H"	44.998201
"356379"	847.557651	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+Hac-H"	59.013851
"1504116"	453.285751	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Hac-H"	59.013851
"964005"	461.252051	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-H+NaCOOH"	66.980151
"112913"	429.241302	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+2Cl"	69.938804
"559034"	626.377252	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+2Cl"	69.938804
"1024551"	232.105352	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2Cl"	69.938804
"1243034"	473.190785	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Br"	78.918885
"1318249"	475.246772	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Cl+HCOOH"	80.974872
"1333197"	497.228729	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Cl+NaCOOH"	102.956829
"925839"	507.257486	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M-H+CF3COOH"	112.985586
"1302424"	543.234164	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Cl+CF3COOH"	148.962264
"1380220"	359.259224	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H-2H2O"	-35.012676
"1395166"	377.2692	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H-H2O"	-17.0027
"295216"	789.551076	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+H"	1.007276
"690314"	1183.822976	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+H"	1.007276
"1366472"	395.279176	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H"	1.007276
"138339"	395.279176	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+2H"	2.014552
"580086"	592.415126	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+2H"	2.014552
"1049978"	198.143226	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2H"	2.014552
"214961"	263.855209333333	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+3H"	3.021828
"654522"	395.279176	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+3H"	3.021828
"1174832"	132.431242666667	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+3H"	3.021828
"435919"	806.577623	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+NH4"	18.033823
"795819"	1200.849523	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+NH4"	18.033823
"1691057"	412.305723	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+NH4"	18.033823
"337146"	403.7924495	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+H+NH4"	19.041099
"733943"	600.9283995	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+H+NH4"	19.041099
"1484483"	206.6564995	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H+NH4"	19.041099
"406442"	811.533018	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+Na"	22.989218
"766345"	1205.804918	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+Na"	22.989218
"1612256"	417.261118	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Na"	22.989218
"322295"	406.270147	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+H+Na"	23.996494
"709256"	603.406097	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+H+Na"	23.996494
"1461484"	209.134197	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H+Na"	23.996494
"1053315"	139.758556666667	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2H+Na"	25.00377
"1259088"	427.305386	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+CH3OH+H"	33.033486
"379120"	827.506958	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+K"	38.963158
"742304"	1221.778858	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+K"	38.963158
"1546183"	433.235058	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+K"	38.963158
"303725"	414.257117	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+H+K"	39.970434
"694684"	611.393067	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+H+K"	39.970434
"1453976"	217.121167	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H+K"	39.970434
"237593"	830.577626	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+ACN+H"	42.033826
"1216385"	436.305726	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+ACN+H"	42.033826
"1199538"	218.656501	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+ACN+2H"	43.041102
"192769"	833.51496	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+2Na-H"	44.97116
"631964"	1227.78686	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+2Na-H"	44.97116
"1135109"	439.24306	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2Na-H"	44.97116
"178403"	417.261118	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+2Na"	45.978436
"622337"	614.397068	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+2Na"	45.978436
"1123655"	220.125168	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2Na"	45.978436
"1404992"	147.085870666667	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H+2Na"	46.985712
"1437108"	441.284646	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H+HCOOH"	47.012746
"227896"	422.29414	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+3H2O+2H"	56.04448
"1513772"	455.33669	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+IsoProp+H"	61.06479
"418924"	425.248088	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+Na+K"	61.952376
"779921"	622.384038	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+Na+K"	61.952376
"1670057"	228.112138	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Na+K"	61.952376
"259496"	852.559568	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+ACN+Na"	64.015768
"1230017"	458.287668	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+ACN+Na"	64.015768
"1716352"	458.311193	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+NH4+HCOOH"	64.039293
"1180371"	154.413184666667	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+3Na"	68.967654
"1651350"	463.266588	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Na+HCOOH"	68.994688
"157974"	865.46284	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+2K-H"	76.91904
"599236"	1259.73474	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+2K-H"	76.91904
"1089463"	471.19094	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2K-H"	76.91904
"142021"	433.235058	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"2M+2K"	77.926316
"581658"	630.371008	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"3M+2K"	77.926316
"1072538"	236.099108	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2K"	77.926316
"1106841"	473.205492	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2K+H"	78.933592
"1337758"	473.293107	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+DMSO+H"	79.021207
"1007866"	477.332276	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2ACN+H"	83.060376
"1524891"	478.325908	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+IsoProp+Na+H"	84.054008
"991102"	239.169776	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+2ACN+2H"	84.067652
"1588641"	479.240528	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+K+HCOOH"	84.968628
"1416125"	509.272038	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+H+CF3COOH"	115.000138
"1152250"	259.683051	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+3ACN+2H"	125.094202
"1699615"	526.298585	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+NH4+CF3COOH"	132.026685
"1640736"	531.25398	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+Na+CF3COOH"	136.98208
"1573105"	547.22792	"C12000"	"Tylactone;Protylonolide"	"C23H38O5"	"394.2719"	"M+K+CF3COOH"	152.95602
"807847"	567.3771	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M"	0
"977006"	548.35871	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-H2O-H"	-19.01839
"72905"	377.244124	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M-3H"	-3.021828
"512467"	566.369824	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M-3H"	-3.021828
"882615"	188.118424	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-3H"	-3.021828
"5564"	566.369824	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M-2H"	-2.014552
"442935"	850.058374	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M-2H"	-2.014552
"818913"	282.681274	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-2H"	-2.014552
"81824"	1133.746924	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M-H"	-1.007276
"520654"	1701.124024	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M-H"	-1.007276
"898091"	566.369824	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-H"	-1.007276
"48822"	1150.773471	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M-2H+NH4"	16.019271
"488502"	1718.150571	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M-2H+NH4"	16.019271
"870929"	583.396371	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-2H+NH4"	16.019271
"36641"	1155.728866	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M-2H+Na"	20.974666
"476202"	1723.105966	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M-2H+Na"	20.974666
"851447"	588.351766	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-2H+Na"	20.974666
"1624632"	588.351766	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Na-2H"	20.974666
"97880"	584.358163	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M-H+Cl"	33.962126
"536705"	868.046713	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M-H+Cl"	33.962126
"928761"	300.669613	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-H+Cl"	33.962126
"278269"	1169.723602	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+Cl"	34.969402
"666315"	1737.100702	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+Cl"	34.969402
"1281999"	602.346502	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Cl"	34.969402
"23461"	1171.702806	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M-2H+K"	36.948606
"463023"	1739.079906	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M-2H+K"	36.948606
"847638"	604.325706	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-2H+K"	36.948606
"1570519"	604.325706	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+K-2H"	36.948606
"957677"	612.375294	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-H+HCOOH"	44.998194
"374792"	1179.752401	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+HCOOH-H"	44.998201
"359769"	1193.768051	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+Hac-H"	59.013851
"1504226"	626.390951	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Hac-H"	59.013851
"963021"	634.357251	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-H+NaCOOH"	66.980151
"111928"	602.346502	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+2Cl"	69.938804
"559144"	886.035052	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+2Cl"	69.938804
"1024661"	318.657952	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2Cl"	69.938804
"1243143"	646.295985	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Br"	78.918885
"1317630"	648.351972	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Cl+HCOOH"	80.974872
"1334402"	670.333929	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Cl+NaCOOH"	102.956829
"922908"	680.362686	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M-H+CF3COOH"	112.985586
"1299251"	716.339364	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Cl+CF3COOH"	148.962264
"1379234"	532.364424	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H-2H2O"	-35.012676
"1395640"	550.3744	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H-H2O"	-17.0027
"294596"	1135.761476	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+H"	1.007276
"684834"	1703.138576	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+H"	1.007276
"1366541"	568.384376	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H"	1.007276
"136262"	568.384376	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+2H"	2.014552
"578738"	852.072926	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+2H"	2.014552
"1050088"	284.695826	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2H"	2.014552
"215071"	379.258676	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+3H"	3.021828
"655725"	568.384376	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+3H"	3.021828
"1171662"	190.132976	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+3H"	3.021828
"436029"	1152.788023	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+NH4"	18.033823
"792649"	1720.165123	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+NH4"	18.033823
"1692260"	585.410923	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+NH4"	18.033823
"335434"	576.8976495	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+H+NH4"	19.041099
"736240"	860.5861995	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+H+NH4"	19.041099
"1489331"	293.2090995	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H+NH4"	19.041099
"404367"	1157.743418	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+Na"	22.989218
"765362"	1725.120518	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+Na"	22.989218
"1613460"	590.366318	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Na"	22.989218
"323498"	579.375347	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+H+Na"	23.996494
"709366"	863.063897	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+H+Na"	23.996494
"1462816"	295.686797	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H+Na"	23.996494
"1054602"	197.46029	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2H+Na"	25.00377
"1261750"	600.410586	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+CH3OH+H"	33.033486
"379594"	1173.717358	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+K"	38.963158
"745330"	1741.094458	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+K"	38.963158
"1546657"	606.340258	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+K"	38.963158
"302742"	587.362317	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+H+K"	39.970434
"695162"	871.050867	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+H+K"	39.970434
"1450807"	303.673767	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H+K"	39.970434
"241959"	1176.788026	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+ACN+H"	42.033826
"1214672"	609.410926	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+ACN+H"	42.033826
"1200377"	305.209101	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+ACN+2H"	43.041102
"192151"	1179.72536	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+2Na-H"	44.97116
"632805"	1747.10246	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+2Na-H"	44.97116
"1137041"	612.34826	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2Na-H"	44.97116
"179970"	590.366318	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+2Na"	45.978436
"624270"	874.054868	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+2Na"	45.978436
"1124858"	306.677768	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2Na"	45.978436
"1405102"	204.787604	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H+2Na"	46.985712
"1434302"	614.389846	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H+HCOOH"	47.012746
"228006"	595.39934	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+3H2O+2H"	56.04448
"1512789"	628.44189	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+IsoProp+H"	61.06479
"420127"	598.353288	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+Na+K"	61.952376
"780031"	882.041838	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+Na+K"	61.952376
"1670531"	314.664738	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Na+K"	61.952376
"254867"	1198.769968	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+ACN+Na"	64.015768
"1228303"	631.392868	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+ACN+Na"	64.015768
"1715366"	631.416393	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+NH4+HCOOH"	64.039293
"1179990"	212.114918	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+3Na"	68.967654
"1650737"	636.371788	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Na+HCOOH"	68.994688
"161124"	1211.67324	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+2K-H"	76.91904
"600685"	1779.05034	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+2K-H"	76.91904
"1091759"	644.29614	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2K-H"	76.91904
"143836"	606.340258	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"2M+2K"	77.926316
"582053"	890.028808	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"3M+2K"	77.926316
"1072648"	322.651708	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2K"	77.926316
"1106951"	646.310692	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2K+H"	78.933592
"1337868"	646.398307	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+DMSO+H"	79.021207
"1008705"	650.437476	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2ACN+H"	83.060376
"1524437"	651.431108	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+IsoProp+Na+H"	84.054008
"992063"	325.722376	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+2ACN+2H"	84.067652
"1589116"	652.345728	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+K+HCOOH"	84.968628
"1414657"	682.377238	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+H+CF3COOH"	115.000138
"1159651"	346.235651	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+3ACN+2H"	125.094202
"1708473"	699.403785	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+NH4+CF3COOH"	132.026685
"1640846"	704.35918	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+Na+CF3COOH"	136.98208
"1573215"	720.33312	"C12001"	"5-O-beta-D-Mycaminosyltylactone"	"C31H53NO8"	"567.3771"	"M+K+CF3COOH"	152.95602
"807957"	597.3513	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M"	0
"978210"	578.33291	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-H2O-H"	-19.01839
"73015"	397.226924	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M-3H"	-3.021828
"512577"	596.344024	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M-3H"	-3.021828
"883818"	198.109824	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-3H"	-3.021828
"4581"	596.344024	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M-2H"	-2.014552
"442315"	895.019674	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M-2H"	-2.014552
"819023"	297.668374	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-2H"	-2.014552
"80835"	1193.695324	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M-H"	-1.007276
"522585"	1791.046624	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M-H"	-1.007276
"896740"	596.344024	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-H"	-1.007276
"48687"	1210.721871	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M-2H+NH4"	16.019271
"489219"	1808.073171	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M-2H+NH4"	16.019271
"867757"	613.370571	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-2H+NH4"	16.019271
"36750"	1215.677266	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M-2H+Na"	20.974666
"473393"	1813.028566	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M-2H+Na"	20.974666
"850098"	618.325966	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-2H+Na"	20.974666
"1624742"	618.325966	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Na-2H"	20.974666
"97990"	614.332363	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M-H+Cl"	33.962126
"536814"	913.008013	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M-H+Cl"	33.962126
"927656"	315.656713	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-H+Cl"	33.962126
"278380"	1229.672002	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+Cl"	34.969402
"664239"	1827.023302	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+Cl"	34.969402
"1284296"	632.320702	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Cl"	34.969402
"27945"	1231.651206	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M-2H+K"	36.948606
"464226"	1829.002506	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M-2H+K"	36.948606
"847745"	634.299906	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-2H+K"	36.948606
"1569899"	634.299906	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+K-2H"	36.948606
"958232"	642.349494	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-H+HCOOH"	44.998194
"374902"	1239.700801	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+HCOOH-H"	44.998201
"358786"	1253.716451	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+Hac-H"	59.013851
"1503243"	656.365151	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Hac-H"	59.013851
"966411"	664.331451	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-H+NaCOOH"	66.980151
"113131"	632.320702	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+2Cl"	69.938804
"557067"	930.996352	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+2Cl"	69.938804
"1021976"	333.645052	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2Cl"	69.938804
"1244345"	676.270185	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Br"	78.918885
"1317741"	678.326172	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Cl+HCOOH"	80.974872
"1334877"	700.308129	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Cl+NaCOOH"	102.956829
"922289"	710.336886	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M-H+CF3COOH"	112.985586
"1297538"	746.313564	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Cl+CF3COOH"	148.962264
"1375699"	562.338624	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H-2H2O"	-35.012676
"1391008"	580.3486	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H-H2O"	-17.0027
"293611"	1195.709876	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+H"	1.007276
"683120"	1793.061176	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+H"	1.007276
"1365914"	598.358576	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H"	1.007276
"137099"	598.358576	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+2H"	2.014552
"578847"	897.034226	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+2H"	2.014552
"1049104"	299.682926	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2H"	2.014552
"215181"	399.241476	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+3H"	3.021828
"649274"	598.358576	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+3H"	3.021828
"1167397"	200.124376	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+3H"	3.021828
"430672"	1212.736423	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+NH4"	18.033823
"789479"	1810.087723	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+NH4"	18.033823
"1687995"	615.385123	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+NH4"	18.033823
"336272"	606.8718495	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+H+NH4"	19.041099
"729790"	905.5474995	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+H+NH4"	19.041099
"1484702"	308.1961995	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H+NH4"	19.041099
"400103"	1217.691818	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+Na"	22.989218
"763285"	1815.043118	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+Na"	22.989218
"1611382"	620.340518	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Na"	22.989218
"321419"	609.349547	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+H+Na"	23.996494
"709476"	908.025197	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+H+Na"	23.996494
"1464385"	310.673897	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H+Na"	23.996494
"1054348"	207.45169	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2H+Na"	25.00377
"1259306"	630.384786	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+CH3OH+H"	33.033486
"378610"	1233.665758	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+K"	38.963158
"743252"	1831.017058	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+K"	38.963158
"1545310"	636.314458	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+K"	38.963158
"302488"	617.336517	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+H+K"	39.970434
"695998"	916.012167	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+H+K"	39.970434
"1448729"	318.660867	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H+K"	39.970434
"238788"	1236.736426	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+ACN+H"	42.033826
"1213325"	639.385126	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+ACN+H"	42.033826
"1199393"	320.196201	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+ACN+2H"	43.041102
"192261"	1239.67376	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+2Na-H"	44.97116
"631092"	1837.02506	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+2Na-H"	44.97116
"1136423"	642.32246	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2Na-H"	44.97116
"175340"	620.340518	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+2Na"	45.978436
"620369"	919.016168	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+2Na"	45.978436
"1121689"	321.664868	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2Na"	45.978436
"1400350"	214.779004	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H+2Na"	46.985712
"1431859"	644.364046	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H+HCOOH"	47.012746
"220699"	625.37354	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+3H2O+2H"	56.04448
"1511073"	658.41609	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+IsoProp+H"	61.06479
"416957"	628.327488	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+Na+K"	61.952376
"773944"	927.003138	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+Na+K"	61.952376
"1668089"	329.651838	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Na+K"	61.952376
"252783"	1258.718368	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+ACN+Na"	64.015768
"1225815"	661.367068	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+ACN+Na"	64.015768
"1715474"	661.390593	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+NH4+HCOOH"	64.039293
"1178800"	222.106318	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+3Na"	68.967654
"1652914"	666.345988	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Na+HCOOH"	68.994688
"160505"	1271.62164	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+2K-H"	76.91904
"599335"	1868.97294	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+2K-H"	76.91904
"1087859"	674.27034	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2K-H"	76.91904
"143946"	636.314458	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"2M+2K"	77.926316
"582411"	934.990108	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"3M+2K"	77.926316
"1072758"	337.638808	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2K"	77.926316
"1107061"	676.284892	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2K+H"	78.933592
"1337978"	676.372507	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+DMSO+H"	79.021207
"1008694"	680.411676	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2ACN+H"	83.060376
"1524753"	681.405308	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+IsoProp+Na+H"	84.054008
"992173"	340.709476	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+2ACN+2H"	84.067652
"1589226"	682.319928	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+K+HCOOH"	84.968628
"1415251"	712.351438	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+H+CF3COOH"	115.000138
"1152470"	361.222751	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+3ACN+2H"	125.094202
"1708583"	729.377985	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+NH4+CF3COOH"	132.026685
"1642049"	734.33338	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+Na+CF3COOH"	136.98208
"1573325"	750.30732	"C12002"	"5-O-beta-D-Mycaminosyltylonolide"	"C31H51NO10"	"597.3513"	"M+K+CF3COOH"	152.95602
"808067"	743.4092	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M"	0
"980506"	724.39081	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-H2O-H"	-19.01839
"76405"	494.598857333333	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M-3H"	-3.021828
"514873"	742.401924	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M-3H"	-3.021828
"889394"	246.795790666667	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-3H"	-3.021828
"9064"	742.401924	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M-2H"	-2.014552
"448622"	1114.106524	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M-2H"	-2.014552
"822049"	370.697324	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-2H"	-2.014552
"84228"	1485.811124	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M-H"	-1.007276
"522695"	2229.220324	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M-H"	-1.007276
"897578"	742.401924	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-H"	-1.007276
"50498"	1502.837671	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M-2H+NH4"	16.019271
"492244"	2246.246871	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M-2H+NH4"	16.019271
"868595"	759.428471	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-2H+NH4"	16.019271
"34671"	1507.793066	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M-2H+Na"	20.974666
"476054"	2251.202266	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M-2H+Na"	20.974666
"850572"	764.383866	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-2H+Na"	20.974666
"1623759"	764.383866	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Na-2H"	20.974666
"98464"	760.390263	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M-H+Cl"	33.962126
"535831"	1132.094863	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M-H+Cl"	33.962126
"930440"	388.685663	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-H+Cl"	33.962126
"277396"	1521.787802	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+Cl"	34.969402
"662162"	2265.197002	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+Cl"	34.969402
"1283313"	778.378602	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Cl"	34.969402
"24775"	1523.767006	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M-2H+K"	36.948606
"464336"	2267.176206	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M-2H+K"	36.948606
"848357"	780.357806	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-2H+K"	36.948606
"1570374"	780.357806	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+K-2H"	36.948606
"957895"	788.407394	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-H+HCOOH"	44.998194
"373919"	1531.816601	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+HCOOH-H"	44.998201
"358896"	1545.832251	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+Hac-H"	59.013851
"1503353"	802.423051	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Hac-H"	59.013851
"966521"	810.389351	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-H+NaCOOH"	66.980151
"112876"	778.378602	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+2Cl"	69.938804
"556084"	1150.083202	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+2Cl"	69.938804
"1022694"	406.674002	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2Cl"	69.938804
"1243726"	822.328085	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Br"	78.918885
"1306906"	824.384072	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Cl+HCOOH"	80.974872
"1333892"	846.366029	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Cl+NaCOOH"	102.956829
"923125"	856.394786	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M-H+CF3COOH"	112.985586
"1299834"	892.371464	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Cl+CF3COOH"	148.962264
"1379088"	708.396524	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H-2H2O"	-35.012676
"1393304"	726.4065	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H-H2O"	-17.0027
"291896"	1487.825676	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+H"	1.007276
"682137"	2231.234876	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+H"	1.007276
"1366269"	744.416476	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H"	1.007276
"136117"	744.416476	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+2H"	2.014552
"577864"	1116.121076	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+2H"	2.014552
"1046662"	372.711876	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2H"	2.014552
"212011"	496.613409333333	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+3H"	3.021828
"649384"	744.416476	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+3H"	3.021828
"1171881"	248.810342666667	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+3H"	3.021828
"428595"	1504.852223	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+NH4"	18.033823
"793962"	2248.261423	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+NH4"	18.033823
"1688105"	761.443023	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+NH4"	18.033823
"340758"	752.9297495	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+H+NH4"	19.041099
"729899"	1124.6343495	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+H+NH4"	19.041099
"1483719"	381.2251495	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H+NH4"	19.041099
"401306"	1509.807618	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+Na"	22.989218
"764488"	2253.216818	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+Na"	22.989218
"1613679"	766.398418	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Na"	22.989218
"322625"	755.407447	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+H+Na"	23.996494
"709586"	1127.112047	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+H+Na"	23.996494
"1462672"	383.702847	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H+Na"	23.996494
"1055187"	256.137656666667	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2H+Na"	25.00377
"1259052"	776.442686	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+CH3OH+H"	33.033486
"378720"	1525.781558	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+K"	38.963158
"744455"	2269.190758	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+K"	38.963158
"1541773"	782.372358	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+K"	38.963158
"300046"	763.394417	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+H+K"	39.970434
"693193"	1135.099017	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+H+K"	39.970434
"1446649"	391.689817	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H+K"	39.970434
"236339"	1528.852226	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+ACN+H"	42.033826
"1215621"	785.443026	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+ACN+H"	42.033826
"1202784"	393.225151	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+ACN+2H"	43.041102
"193101"	1531.78956	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+2Na-H"	44.97116
"630474"	2275.19876	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+2Na-H"	44.97116
"1139815"	788.38036	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2Na-H"	44.97116
"179827"	766.398418	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+2Na"	45.978436
"621573"	1138.103018	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+2Na"	45.978436
"1123985"	394.693818	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2Na"	45.978436
"1402042"	263.464970666667	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H+2Na"	46.985712
"1434158"	790.421946	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H+HCOOH"	47.012746
"222392"	771.43144	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+3H2O+2H"	56.04448
"1514102"	804.47399	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+IsoProp+H"	61.06479
"414880"	774.385388	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+Na+K"	61.952376
"774783"	1146.089988	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+Na+K"	61.952376
"1668563"	402.680788	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Na+K"	61.952376
"253989"	1550.834168	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+ACN+Na"	64.015768
"1227791"	807.424968	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+ACN+Na"	64.015768
"1715948"	807.448493	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+NH4+HCOOH"	64.039293
"1178991"	270.792284666667	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+3Na"	68.967654
"1651560"	812.403888	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Na+HCOOH"	68.994688
"160250"	1563.73744	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+2K-H"	76.91904
"599445"	2307.14664	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+2K-H"	76.91904
"1085418"	820.32824	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2K-H"	76.91904
"144420"	782.372358	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"2M+2K"	77.926316
"582521"	1154.076958	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"3M+2K"	77.926316
"1071045"	410.667758	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2K"	77.926316
"1108264"	822.342792	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2K+H"	78.933592
"1339181"	822.430407	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+DMSO+H"	79.021207
"1009897"	826.469576	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2ACN+H"	83.060376
"1525835"	827.463208	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+IsoProp+Na+H"	84.054008
"993377"	413.738426	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+2ACN+2H"	84.067652
"1588242"	828.377828	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+K+HCOOH"	84.968628
"1414998"	858.409338	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+H+CF3COOH"	115.000138
"1149300"	434.251701	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+3ACN+2H"	125.094202
"1698852"	875.435885	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+NH4+CF3COOH"	132.026685
"1641066"	880.39128	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+Na+CF3COOH"	136.98208
"1572342"	896.36522	"C12003"	"Demethyllactenocin"	"C37H61NO14"	"743.4092"	"M+K+CF3COOH"	152.95602
"814739"	1009.4049	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M"	0
"976243"	990.38651	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-H2O-H"	-19.01839
"75422"	671.929324	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M-3H"	-3.021828
"512795"	1008.397624	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M-3H"	-3.021828
"888412"	335.461024	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-3H"	-3.021828
"8081"	1008.397624	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M-2H"	-2.014552
"444358"	1513.100074	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M-2H"	-2.014552
"823254"	503.695174	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-2H"	-2.014552
"83245"	2017.802524	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M-H"	-1.007276
"520256"	3027.207424	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M-H"	-1.007276
"896833"	1008.397624	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-H"	-1.007276
"48907"	2034.829071	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M-2H+NH4"	16.019271
"490168"	3044.233971	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M-2H+NH4"	16.019271
"865541"	1025.424171	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-2H+NH4"	16.019271
"34049"	2039.784466	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M-2H+Na"	20.974666
"473488"	3049.189366	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M-2H+Na"	20.974666
"850560"	1030.379566	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-2H+Na"	20.974666
"1620581"	1030.379566	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Na-2H"	20.974666
"98574"	1026.385963	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M-H+Cl"	33.962126
"535699"	1531.088413	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M-H+Cl"	33.962126
"928485"	521.683513	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-H+Cl"	33.962126
"275319"	2053.779202	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+Cl"	34.969402
"666646"	3063.184102	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+Cl"	34.969402
"1280143"	1044.374302	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Cl"	34.969402
"22698"	2055.758406	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M-2H+K"	36.948606
"462260"	3065.163306	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M-2H+K"	36.948606
"846625"	1046.353506	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-2H+K"	36.948606
"1570366"	1046.353506	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+K-2H"	36.948606
"958091"	1054.403094	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-H+HCOOH"	44.998194
"376424"	2063.808001	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+HCOOH-H"	44.998201
"360952"	2077.823651	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+Hac-H"	59.013851
"1507964"	1068.418751	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Hac-H"	59.013851
"963351"	1076.385051	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-H+NaCOOH"	66.980151
"114444"	1044.374302	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+2Cl"	69.938804
"556194"	1549.076752	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+2Cl"	69.938804
"1026083"	539.671852	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2Cl"	69.938804
"1245660"	1088.323785	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Br"	78.918885
"1309203"	1090.379772	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Cl+HCOOH"	80.974872
"1335547"	1112.361729	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Cl+NaCOOH"	102.956829
"924330"	1122.390486	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M-H+CF3COOH"	112.985586
"1302497"	1158.367164	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Cl+CF3COOH"	148.962264
"1380293"	974.392224	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H-2H2O"	-35.012676
"1395966"	992.4022	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H-H2O"	-17.0027
"288726"	2019.817076	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+H"	1.007276
"685527"	3029.221976	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+H"	1.007276
"1365406"	1010.412176	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H"	1.007276
"136592"	1010.412176	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+2H"	2.014552
"577610"	1515.114626	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+2H"	2.014552
"1048959"	505.709726	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2H"	2.014552
"216130"	673.943876	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+3H"	3.021828
"656782"	1010.412176	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+3H"	3.021828
"1175271"	337.475576	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+3H"	3.021828
"431985"	2036.843623	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+NH4"	18.033823
"798447"	3046.248523	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+NH4"	18.033823
"1689309"	1027.438723	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+NH4"	18.033823
"338681"	1018.9254495	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+H+NH4"	19.041099
"730009"	1523.6278995	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+H+NH4"	19.041099
"1483829"	514.2229995	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H+NH4"	19.041099
"401416"	2041.799018	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+Na"	22.989218
"764598"	3051.203918	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+Na"	22.989218
"1612696"	1032.394118	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Na"	22.989218
"322735"	1021.403147	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+H+Na"	23.996494
"711883"	1526.105597	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+H+Na"	23.996494
"1464605"	516.700697	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H+Na"	23.996494
"1056755"	344.80289	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2H+Na"	25.00377
"1261349"	1042.438386	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+CH3OH+H"	33.033486
"379194"	2057.772958	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+K"	38.963158
"745659"	3067.177858	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+K"	38.963158
"1542976"	1048.368058	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+K"	38.963158
"300521"	1029.390117	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+H+K"	39.970434
"695126"	1534.092567	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+H+K"	39.970434
"1448218"	524.687667	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H+K"	39.970434
"236816"	2060.843626	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+ACN+H"	42.033826
"1215732"	1051.438726	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+ACN+H"	42.033826
"1201800"	526.223001	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+ACN+2H"	43.041102
"193576"	2063.78096	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+2Na-H"	44.97116
"632408"	3073.18586	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+2Na-H"	44.97116
"1139925"	1054.37606	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2Na-H"	44.97116
"177750"	1032.394118	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+2Na"	45.978436
"621684"	1537.096568	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+2Na"	45.978436
"1121909"	527.691668	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2Na"	45.978436
"1399965"	352.130204	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H+2Na"	46.985712
"1435361"	1056.417646	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H+HCOOH"	47.012746
"222138"	1037.42714	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+3H2O+2H"	56.04448
"1513118"	1070.46969	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+IsoProp+H"	61.06479
"414990"	1040.381088	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+Na+K"	61.952376
"774164"	1545.083538	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+Na+K"	61.952376
"1667581"	535.678638	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Na+K"	61.952376
"252643"	2082.825568	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+ACN+Na"	64.015768
"1227536"	1073.420668	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+ACN+Na"	64.015768
"1714603"	1073.444193	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+NH4+HCOOH"	64.039293
"1179102"	359.457518	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+3Na"	68.967654
"1650088"	1078.399588	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Na+HCOOH"	68.994688
"157438"	2095.72884	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+2K-H"	76.91904
"598095"	3105.13374	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+2K-H"	76.91904
"1085524"	1086.32394	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2K-H"	76.91904
"141732"	1048.368058	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"2M+2K"	77.926316
"586279"	1553.070508	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"3M+2K"	77.926316
"1070791"	543.665608	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2K"	77.926316
"1107281"	1088.338492	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2K+H"	78.933592
"1338198"	1088.426107	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+DMSO+H"	79.021207
"1008914"	1092.465276	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2ACN+H"	83.060376
"1525945"	1093.458908	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+IsoProp+Na+H"	84.054008
"995673"	546.736276	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+2ACN+2H"	84.067652
"1587988"	1094.373528	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+K+HCOOH"	84.968628
"1415108"	1124.405038	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+H+CF3COOH"	115.000138
"1149410"	567.249551	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+3ACN+2H"	125.094202
"1705523"	1141.431585	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+NH4+CF3COOH"	132.026685
"1643363"	1146.38698	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+Na+CF3COOH"	136.98208
"1577920"	1162.36092	"C12006"	"Liposidomycin B"	"C42H67N5O21S"	"1009.4049"	"M+K+CF3COOH"	152.95602
"815943"	840.3112	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M"	0
"988749"	821.29281	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-H2O-H"	-19.01839
"75532"	559.200190666667	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M-3H"	-3.021828
"512905"	839.303924	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M-3H"	-3.021828
"893504"	279.096457333333	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-3H"	-3.021828
"14389"	839.303924	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M-2H"	-2.014552
"448846"	1259.459524	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M-2H"	-2.014552
"824460"	419.148324	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-2H"	-2.014552
"88823"	1679.615124	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M-H"	-1.007276
"525106"	2519.926324	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M-H"	-1.007276
"898165"	839.303924	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-H"	-1.007276
"48409"	1696.641671	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M-2H+NH4"	16.019271
"492102"	2536.952871	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M-2H+NH4"	16.019271
"873556"	856.330471	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-2H+NH4"	16.019271
"38174"	1701.597066	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M-2H+Na"	20.974666
"478097"	2541.908266	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M-2H+Na"	20.974666
"851522"	861.285866	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-2H+Na"	20.974666
"1624336"	861.285866	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Na-2H"	20.974666
"99045"	857.292263	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M-H+Cl"	33.962126
"538242"	1277.447863	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M-H+Cl"	33.962126
"931754"	437.136663	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-H+Cl"	33.962126
"272147"	1715.591802	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+Cl"	34.969402
"668941"	2555.903002	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+Cl"	34.969402
"1275878"	875.280602	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Cl"	34.969402
"18433"	1717.571006	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M-2H+K"	36.948606
"463463"	2557.882206	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M-2H+K"	36.948606
"846734"	877.259806	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-2H+K"	36.948606
"1570894"	877.259806	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+K-2H"	36.948606
"958240"	885.309394	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-H+HCOOH"	44.998194
"376939"	1725.620601	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+HCOOH-H"	44.998201
"361143"	1739.636251	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+Hac-H"	59.013851
"1508385"	899.325051	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Hac-H"	59.013851
"967833"	907.291351	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-H+NaCOOH"	66.980151
"114554"	875.280602	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+2Cl"	69.938804
"554114"	1295.436202	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+2Cl"	69.938804
"1026196"	455.125002	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2Cl"	69.938804
"1244676"	919.230085	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Br"	78.918885
"1310406"	921.286072	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Cl+HCOOH"	80.974872
"1322435"	943.268029	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Cl+NaCOOH"	102.956829
"923345"	953.296786	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M-H+CF3COOH"	112.985586
"1301148"	989.273464	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Cl+CF3COOH"	148.962264
"1377121"	805.298524	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H-2H2O"	-35.012676
"1391337"	823.3085	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H-H2O"	-17.0027
"288836"	1681.629676	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+H"	1.007276
"687095"	2521.940876	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+H"	1.007276
"1364178"	841.318476	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H"	1.007276
"137793"	841.318476	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+2H"	2.014552
"578082"	1261.474076	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+2H"	2.014552
"1050162"	421.162876	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2H"	2.014552
"216969"	561.214742666667	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+3H"	3.021828
"655070"	841.318476	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+3H"	3.021828
"1172101"	281.111009333333	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+3H"	3.021828
"433918"	1698.656223	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+NH4"	18.033823
"796005"	2538.967423	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+NH4"	18.033823
"1686139"	858.345023	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+NH4"	18.033823
"338791"	849.8317495	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+H+NH4"	19.041099
"732306"	1269.9873495	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+H+NH4"	19.041099
"1486127"	429.6761495	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H+NH4"	19.041099
"402619"	1703.611618	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+Na"	22.989218
"765803"	2543.922818	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+Na"	22.989218
"1612807"	863.300418	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Na"	22.989218
"326126"	852.309447	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+H+Na"	23.996494
"713086"	1272.465047	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+H+Na"	23.996494
"1462529"	432.153847	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H+Na"	23.996494
"1055045"	288.438323333333	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2H+Na"	25.00377
"1260731"	873.344686	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+CH3OH+H"	33.033486
"378940"	1719.585558	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+K"	38.963158
"746862"	2559.896758	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+K"	38.963158
"1543452"	879.274358	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+K"	38.963158
"300631"	860.296417	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+H+K"	39.970434
"695239"	1280.452017	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+H+K"	39.970434
"1447965"	440.140817	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H+K"	39.970434
"238023"	1722.656226	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+ACN+H"	42.033826
"1220215"	882.345026	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+ACN+H"	42.033826
"1206285"	441.676151	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+ACN+2H"	43.041102
"194781"	1725.59356	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+2Na-H"	44.97116
"637622"	2565.90476	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+2Na-H"	44.97116
"1144409"	885.28236	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2Na-H"	44.97116
"184422"	863.300418	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+2Na"	45.978436
"622888"	1283.456018	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+2Na"	45.978436
"1125300"	443.144818	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2Na"	45.978436
"1404449"	295.765637333333	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H+2Na"	46.985712
"1435471"	887.323946	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H+HCOOH"	47.012746
"228446"	868.33344	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+3H2O+2H"	56.04448
"1514322"	901.37599	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+IsoProp+H"	61.06479
"415100"	871.287388	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+Na+K"	61.952376
"777190"	1291.442988	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+Na+K"	61.952376
"1673523"	451.131788	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Na+K"	61.952376
"254212"	1744.638168	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+ACN+Na"	64.015768
"1227651"	904.326968	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+ACN+Na"	64.015768
"1719454"	904.350493	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+NH4+HCOOH"	64.039293
"1180068"	303.092951333333	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+3Na"	68.967654
"1651415"	909.305888	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Na+HCOOH"	68.994688
"157546"	1757.54144	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+2K-H"	76.91904
"597509"	2597.85264	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+2K-H"	76.91904
"1085635"	917.23024	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2K-H"	76.91904
"141844"	879.274358	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"2M+2K"	77.926316
"586389"	1299.429958	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"3M+2K"	77.926316
"1071995"	459.118758	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2K"	77.926316
"1104111"	919.244792	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2K+H"	78.933592
"1345963"	919.332407	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+DMSO+H"	79.021207
"1011211"	923.371576	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2ACN+H"	83.060376
"1530429"	924.365208	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+IsoProp+Na+H"	84.054008
"995783"	462.189426	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+2ACN+2H"	84.067652
"1588099"	925.279828	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+K+HCOOH"	84.968628
"1418135"	955.311338	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+H+CF3COOH"	115.000138
"1151707"	482.702701	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+3ACN+2H"	125.094202
"1707820"	972.337885	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+NH4+CF3COOH"	132.026685
"1643473"	977.29328	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+Na+CF3COOH"	136.98208
"1578030"	993.26722	"C12007"	"Mureidomycin A;MRD A"	"C38H48N8O12S"	"840.3112"	"M+K+CF3COOH"	152.95602
"808397"	2552.035	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M"	0
"984119"	2533.01661	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-H2O-H"	-19.01839
"72362"	1700.34939066667	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M-3H"	-3.021828
"513015"	2551.027724	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M-3H"	-3.021828
"887540"	849.671057333333	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-3H"	-3.021828
"2835"	2551.027724	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M-2H"	-2.014552
"443121"	3827.045224	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M-2H"	-2.014552
"823474"	1275.010224	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-2H"	-2.014552
"84559"	5103.062724	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M-H"	-1.007276
"522296"	7655.097724	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M-H"	-1.007276
"899006"	2551.027724	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-H"	-1.007276
"48761"	5120.089271	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M-2H+NH4"	16.019271
"489296"	7672.124271	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M-2H+NH4"	16.019271
"872572"	2568.054271	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-2H+NH4"	16.019271
"37191"	5125.044666	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M-2H+Na"	20.974666
"475291"	7677.079666	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M-2H+Na"	20.974666
"849929"	2573.009666	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-2H+Na"	20.974666
"1620436"	2573.009666	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Na-2H"	20.974666
"95630"	2569.016063	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M-H+Cl"	33.962126
"536166"	3845.033563	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M-H+Cl"	33.962126
"928826"	1292.998563	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-H+Cl"	33.962126
"272257"	5139.039402	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+Cl"	34.969402
"669051"	7691.074402	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+Cl"	34.969402
"1278174"	2587.004402	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Cl"	34.969402
"20729"	5141.018606	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M-2H+K"	36.948606
"464666"	7693.053606	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M-2H+K"	36.948606
"847572"	2588.983606	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-2H+K"	36.948606
"1570833"	2588.983606	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+K-2H"	36.948606
"958221"	2597.033194	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-H+HCOOH"	44.998194
"376565"	5149.068201	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+HCOOH-H"	44.998201
"360563"	5163.083851	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+Hac-H"	59.013851
"1507943"	2611.048851	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Hac-H"	59.013851
"965757"	2619.015151	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-H+NaCOOH"	66.980151
"120131"	2587.004402	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+2Cl"	69.938804
"554222"	3863.021902	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+2Cl"	69.938804
"1029585"	1310.986902	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2Cl"	69.938804
"1243693"	2630.953885	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Br"	78.918885
"1310516"	2633.009872	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Cl+HCOOH"	80.974872
"1320722"	2654.991829	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Cl+NaCOOH"	102.956829
"913236"	2665.020586	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M-H+CF3COOH"	112.985586
"1301258"	2700.997264	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Cl+CF3COOH"	148.962264
"1376137"	2517.022324	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H-2H2O"	-35.012676
"1391447"	2535.0323	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H-H2O"	-17.0027
"288946"	5105.077276	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+H"	1.007276
"685382"	7657.112276	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+H"	1.007276
"1365017"	2553.042276	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H"	1.007276
"137903"	2553.042276	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+2H"	2.014552
"576369"	3829.059776	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+2H"	2.014552
"1049908"	1277.024776	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2H"	2.014552
"216715"	1702.36394266667	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+3H"	3.021828
"655908"	2553.042276	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+3H"	3.021828
"1170022"	851.685609333333	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+3H"	3.021828
"432202"	5122.103823	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+NH4"	18.033823
"791011"	7674.138823	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+NH4"	18.033823
"1688436"	2570.068823	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+NH4"	18.033823
"338901"	2561.5555495	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+H+NH4"	19.041099
"732416"	3837.5730495	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+H+NH4"	19.041099
"1484050"	1285.5380495	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H+NH4"	19.041099
"400542"	5127.059218	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+Na"	22.989218
"759352"	7679.094218	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+Na"	22.989218
"1607450"	2575.024218	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Na"	22.989218
"321861"	2564.033247	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+H+Na"	23.996494
"714289"	3840.050747	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+H+Na"	23.996494
"1464825"	1288.015747	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H+Na"	23.996494
"1058072"	859.012923333333	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2H+Na"	25.00377
"1263028"	2585.068486	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+CH3OH+H"	33.033486
"380509"	5143.033158	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+K"	38.963158
"745879"	7695.068158	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+K"	38.963158
"1545020"	2590.998158	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+K"	38.963158
"301835"	2572.020217	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+H+K"	39.970434
"697536"	3848.037717	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+H+K"	39.970434
"1449531"	1296.002717	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H+K"	39.970434
"238497"	5146.103826	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+ACN+H"	42.033826
"1220323"	2594.068826	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+ACN+H"	42.033826
"1205301"	1297.538051	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+ACN+2H"	43.041102
"195984"	5149.04116	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+2Na-H"	44.97116
"637732"	7701.07616	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+2Na-H"	44.97116
"1145249"	2597.00616	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2Na-H"	44.97116
"184532"	2575.024218	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+2Na"	45.978436
"626278"	3851.041718	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+2Na"	45.978436
"1125410"	1299.006718	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2Na"	45.978436
"1408932"	866.340237333333	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H+2Na"	46.985712
"1435582"	2599.047746	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H+HCOOH"	47.012746
"226369"	2580.05724	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+3H2O+2H"	56.04448
"1514432"	2613.09979	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+IsoProp+H"	61.06479
"415210"	2583.011188	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+Na+K"	61.952376
"777300"	3859.028688	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+Na+K"	61.952376
"1673633"	1306.993688	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Na+K"	61.952376
"252132"	5168.085768	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+ACN+Na"	64.015768
"1227031"	2616.050768	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+ACN+Na"	64.015768
"1718471"	2616.074293	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+NH4+HCOOH"	64.039293
"1180543"	873.667551333333	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+3Na"	68.967654
"1651162"	2621.029688	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Na+HCOOH"	68.994688
"158144"	5180.98904	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+2K-H"	76.91904
"600138"	7733.02404	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+2K-H"	76.91904
"1085744"	2628.95404	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2K-H"	76.91904
"144748"	2590.998158	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"2M+2K"	77.926316
"589780"	3867.015658	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"3M+2K"	77.926316
"1071740"	1314.980658	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2K"	77.926316
"1105314"	2630.968592	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2K+H"	78.933592
"1342793"	2631.056207	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+DMSO+H"	79.021207
"1009135"	2635.095376	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2ACN+H"	83.060376
"1528353"	2636.089008	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+IsoProp+Na+H"	84.054008
"993708"	1318.051326	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+2ACN+2H"	84.067652
"1589304"	2637.003628	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+K+HCOOH"	84.968628
"1416422"	2667.035138	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+H+CF3COOH"	115.000138
"1152910"	1338.564601	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+3ACN+2H"	125.094202
"1707930"	2684.061685	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+NH4+CF3COOH"	132.026685
"1644676"	2689.01708	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+Na+CF3COOH"	136.98208
"1578140"	2704.99102	"C12008"	"Ramoplanin A2"	"C119H154ClN21O40"	"2552.035"	"M+K+CF3COOH"	152.95602
"808507"	811.4731	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M"	0
"980948"	792.45471	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-H2O-H"	-19.01839
"73565"	539.974790666667	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M-3H"	-3.021828
"513125"	810.465824	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M-3H"	-3.021828
"889836"	269.483757333333	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-3H"	-3.021828
"4037"	810.465824	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M-2H"	-2.014552
"441774"	1216.202374	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M-2H"	-2.014552
"820669"	404.729274	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-2H"	-2.014552
"81752"	1621.938924	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M-H"	-1.007276
"521312"	2433.412024	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M-H"	-1.007276
"897293"	810.465824	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-H"	-1.007276
"48385"	1638.965471	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M-2H+NH4"	16.019271
"487340"	2450.438571	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M-2H+NH4"	16.019271
"872682"	827.492371	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-2H+NH4"	16.019271
"36206"	1643.920866	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M-2H+Na"	20.974666
"474672"	2455.393966	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M-2H+Na"	20.974666
"848700"	832.447766	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-2H+Na"	20.974666
"1619210"	832.447766	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Na-2H"	20.974666
"94340"	828.454163	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M-H+Cl"	33.962126
"535300"	1234.190713	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M-H+Cl"	33.962126
"930153"	422.717613	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-H+Cl"	33.962126
"270544"	1657.915602	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+Cl"	34.969402
"666971"	2469.388702	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+Cl"	34.969402
"1277189"	846.442502	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Cl"	34.969402
"20839"	1659.894806	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M-2H+K"	36.948606
"465869"	2471.367906	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M-2H+K"	36.948606
"842578"	848.421706	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-2H+K"	36.948606
"1571063"	848.421706	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+K-2H"	36.948606
"958215"	856.471294	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-H+HCOOH"	44.998194
"377097"	1667.944401	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+HCOOH-H"	44.998201
"360921"	1681.960051	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+Hac-H"	59.013851
"1508136"	870.486951	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Hac-H"	59.013851
"970241"	878.453251	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-H+NaCOOH"	66.980151
"124616"	846.442502	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+2Cl"	69.938804
"556521"	1252.179052	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+2Cl"	69.938804
"1027509"	440.705952	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2Cl"	69.938804
"1247084"	890.391985	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Br"	78.918885
"1309533"	892.447972	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Cl+HCOOH"	80.974872
"1321561"	914.429929	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Cl+NaCOOH"	102.956829
"913712"	924.458686	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M-H+CF3COOH"	112.985586
"1301004"	960.435364	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Cl+CF3COOH"	148.962264
"1377340"	776.460424	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H-2H2O"	-35.012676
"1391557"	794.4704	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H-H2O"	-17.0027
"288691"	1623.953476	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+H"	1.007276
"684398"	2435.426576	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+H"	1.007276
"1365856"	812.480376	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H"	1.007276
"135825"	812.480376	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+2H"	2.014552
"576114"	1218.216926	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+2H"	2.014552
"1048560"	406.743826	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2H"	2.014552
"214634"	541.989342666667	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+3H"	3.021828
"653101"	812.480376	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+3H"	3.021828
"1165758"	271.498309333333	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+3H"	3.021828
"434499"	1640.980023	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+NH4"	18.033823
"791121"	2452.453123	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+NH4"	18.033823
"1686356"	829.506923	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+NH4"	18.033823
"335727"	820.9936495	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+H+NH4"	19.041099
"725961"	1226.7301995	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+H+NH4"	19.041099
"1481972"	415.2570995	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H+NH4"	19.041099
"397004"	1645.935418	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+Na"	22.989218
"762740"	2457.408518	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+Na"	22.989218
"1608652"	834.462318	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Na"	22.989218
"317597"	823.471347	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+H+Na"	23.996494
"716585"	1229.207897	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+H+Na"	23.996494
"1464936"	417.734797	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H+Na"	23.996494
"1058183"	278.825623333333	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2H+Na"	25.00377
"1260952"	844.506586	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+CH3OH+H"	33.033486
"382806"	1661.909358	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+K"	38.963158
"742710"	2473.382458	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+K"	38.963158
"1542943"	850.436258	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+K"	38.963158
"301943"	831.458317	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+H+K"	39.970434
"697646"	1237.194867	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+H+K"	39.970434
"1449276"	425.721767	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H+K"	39.970434
"238971"	1664.980026	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+ACN+H"	42.033826
"1219340"	853.506926	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+ACN+H"	42.033826
"1204318"	427.257101	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+ACN+2H"	43.041102
"197188"	1667.91736	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+2Na-H"	44.97116
"640029"	2479.39046	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+2Na-H"	44.97116
"1144629"	856.44426	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2Na-H"	44.97116
"184642"	834.462318	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+2Na"	45.978436
"624202"	1240.198868	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+2Na"	45.978436
"1128800"	428.725768	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2Na"	45.978436
"1405762"	286.152937333333	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H+2Na"	46.985712
"1436786"	858.485846	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H+HCOOH"	47.012746
"228666"	839.49534	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+3H2O+2H"	56.04448
"1514542"	872.53789	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+IsoProp+H"	61.06479
"415320"	842.449288	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+Na+K"	61.952376
"771943"	1248.185838	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+Na+K"	61.952376
"1672650"	436.712738	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Na+K"	61.952376
"254068"	1686.961968	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+ACN+Na"	64.015768
"1227139"	875.488868	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+ACN+Na"	64.015768
"1717486"	875.512393	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+NH4+HCOOH"	64.039293
"1185027"	293.480251333333	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+3Na"	68.967654
"1651639"	880.467788	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Na+HCOOH"	68.994688
"157644"	1699.86524	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+2K-H"	76.91904
"597245"	2511.33834	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+2K-H"	76.91904
"1085854"	888.39214	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2K-H"	76.91904
"141935"	850.436258	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"2M+2K"	77.926316
"586608"	1256.172808	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"3M+2K"	77.926316
"1071119"	444.699708	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2K"	77.926316
"1105424"	890.406692	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2K+H"	78.933592
"1343996"	890.494307	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+DMSO+H"	79.021207
"1008152"	894.533476	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2ACN+H"	83.060376
"1528463"	895.527108	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+IsoProp+Na+H"	84.054008
"993818"	447.770376	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+2ACN+2H"	84.067652
"1589778"	896.441728	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+K+HCOOH"	84.968628
"1416896"	926.473238	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+H+CF3COOH"	115.000138
"1153020"	468.283651	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+3ACN+2H"	125.094202
"1698197"	943.499785	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+NH4+CF3COOH"	132.026685
"1644786"	948.45518	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+Na+CF3COOH"	136.98208
"1578250"	964.42912	"C12009"	"Telithromycin;HMR3647;HMR-3647;RU66647;RU-66647"	"C43H65N5O10"	"811.4731"	"M+K+CF3COOH"	152.95602
"808617"	557.2486	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M"	0
"984338"	538.23021	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-H2O-H"	-19.01839
"72582"	370.491790666667	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M-3H"	-3.021828
"514328"	556.241324	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M-3H"	-3.021828
"886666"	184.742257333333	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-3H"	-3.021828
"3055"	556.241324	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M-2H"	-2.014552
"442978"	834.865624	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M-2H"	-2.014552
"822601"	277.617024	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-2H"	-2.014552
"81498"	1113.489924	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M-H"	-1.007276
"524340"	1670.738524	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M-H"	-1.007276
"897766"	556.241324	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-H"	-1.007276
"49588"	1130.516471	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M-2H+NH4"	16.019271
"489516"	1687.765071	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M-2H+NH4"	16.019271
"871699"	573.267871	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-2H+NH4"	16.019271
"32307"	1135.471866	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M-2H+Na"	20.974666
"473689"	1692.720466	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M-2H+Na"	20.974666
"850029"	578.223266	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-2H+Na"	20.974666
"1619563"	578.223266	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Na-2H"	20.974666
"96463"	574.229663	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M-H+Cl"	33.962126
"535410"	852.853963	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M-H+Cl"	33.962126
"929170"	295.605363	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-H+Cl"	33.962126
"270290"	1149.466602	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+Cl"	34.969402
"664895"	1706.715202	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+Cl"	34.969402
"1274020"	592.218002	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Cl"	34.969402
"19856"	1151.445806	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M-2H+K"	36.948606
"464886"	1708.694406	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M-2H+K"	36.948606
"839408"	594.197206	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-2H+K"	36.948606
"1571274"	594.197206	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+K-2H"	36.948606
"958003"	602.246794	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-H+HCOOH"	44.998194
"376663"	1159.495401	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+HCOOH-H"	44.998201
"361154"	1173.511051	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+Hac-H"	59.013851
"1508360"	616.262451	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Hac-H"	59.013851
"973970"	624.228751	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-H+NaCOOH"	66.980151
"125213"	592.218002	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+2Cl"	69.938804
"555538"	870.842302	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+2Cl"	69.938804
"1030899"	313.593702	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2Cl"	69.938804
"1246101"	636.167485	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Br"	78.918885
"1307456"	638.223472	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Cl+HCOOH"	80.974872
"1321671"	660.205429	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Cl+NaCOOH"	102.956829
"911879"	670.234186	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M-H+CF3COOH"	112.985586
"1300380"	706.210864	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Cl+CF3COOH"	148.962264
"1376357"	522.235924	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H-2H2O"	-35.012676
"1393490"	540.2459	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H-H2O"	-17.0027
"288073"	1115.504476	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+H"	1.007276
"682686"	1672.753076	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+H"	1.007276
"1365966"	558.255876	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H"	1.007276
"135571"	558.255876	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+2H"	2.014552
"575495"	836.880176	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+2H"	2.014552
"1050127"	279.631576	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2H"	2.014552
"215474"	372.506342666667	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+3H"	3.021828
"655034"	558.255876	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+3H"	3.021828
"1169148"	186.756809333333	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+3H"	3.021828
"433516"	1132.531023	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+NH4"	18.033823
"791231"	1689.779623	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+NH4"	18.033823
"1684280"	575.282423	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+NH4"	18.033823
"336930"	566.7691495	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+H+NH4"	19.041099
"726072"	845.3934495	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+H+NH4"	19.041099
"1482082"	288.1448495	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H+NH4"	19.041099
"397482"	1137.486418	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+Na"	22.989218
"762850"	1694.735018	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+Na"	22.989218
"1609856"	580.237818	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Na"	22.989218
"317707"	569.246847	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+H+Na"	23.996494
"713416"	847.871147	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+H+Na"	23.996494
"1463102"	290.622547	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H+Na"	23.996494
"1058293"	194.084123333333	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2H+Na"	25.00377
"1259969"	590.282086	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+CH3OH+H"	33.033486
"380000"	1153.460358	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+K"	38.963158
"741725"	1710.708958	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+K"	38.963158
"1543781"	596.211758	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+K"	38.963158
"307523"	577.233817	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+H+K"	39.970434
"697756"	855.858117	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+H+K"	39.970434
"1447198"	298.609517	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H+K"	39.970434
"237258"	1156.531026	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+ACN+H"	42.033826
"1219451"	599.282426	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+ACN+H"	42.033826
"1204428"	300.144851	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+ACN+2H"	43.041102
"197298"	1159.46836	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+2Na-H"	44.97116
"636859"	1716.71696	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+2Na-H"	44.97116
"1140366"	602.21976	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2Na-H"	44.97116
"176005"	580.237818	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+2Na"	45.978436
"616658"	858.862118	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+2Na"	45.978436
"1116395"	301.613518	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2Na"	45.978436
"1399668"	201.411437333333	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H+2Na"	46.985712
"1430941"	604.261346	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H+HCOOH"	47.012746
"220309"	585.27084	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+3H2O+2H"	56.04448
"1509913"	618.31339	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+IsoProp+H"	61.06479
"408636"	588.224788	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+Na+K"	61.952376
"770960"	866.849088	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+Na+K"	61.952376
"1669480"	309.600488	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Na+K"	61.952376
"251982"	1178.512968	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+ACN+Na"	64.015768
"1226153"	621.264368	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+ACN+Na"	64.015768
"1718690"	621.287893	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+NH4+HCOOH"	64.039293
"1185137"	208.738751333333	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+3Na"	68.967654
"1651020"	626.243288	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Na+HCOOH"	68.994688
"157638"	1191.41624	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+2K-H"	76.91904
"597559"	1748.66484	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+2K-H"	76.91904
"1085964"	634.16764	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2K-H"	76.91904
"141925"	596.211758	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"2M+2K"	77.926316
"587811"	874.836058	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"3M+2K"	77.926316
"1072322"	317.587458	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2K"	77.926316
"1105534"	636.182192	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2K+H"	78.933592
"1344106"	636.269807	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+DMSO+H"	79.021207
"1008625"	640.308976	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2ACN+H"	83.060376
"1528573"	641.302608	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+IsoProp+Na+H"	84.054008
"996113"	320.658126	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+2ACN+2H"	84.067652
"1589888"	642.217228	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+K+HCOOH"	84.968628
"1418464"	672.248738	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+H+CF3COOH"	115.000138
"1150943"	341.171401	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+3ACN+2H"	125.094202
"1697698"	689.275285	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+NH4+CF3COOH"	132.026685
"1643803"	694.23068	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+Na+CF3COOH"	136.98208
"1578360"	710.20462	"C12011"	"DMG-MINO;9-(NN-Dimethylglycylamido)minocycline"	"C27H35N5O8"	"557.2486"	"M+K+CF3COOH"	152.95602
"805447"	585.2799	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M"	0
"978980"	566.26151	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-H2O-H"	-19.01839
"72692"	389.179324	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M-3H"	-3.021828
"510065"	584.272624	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M-3H"	-3.021828
"885683"	194.086024	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-3H"	-3.021828
"1341"	584.272624	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M-2H"	-2.014552
"440536"	876.912574	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M-2H"	-2.014552
"819795"	291.632674	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-2H"	-2.014552
"80878"	1169.552524	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M-H"	-1.007276
"521898"	1754.832424	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M-H"	-1.007276
"896658"	584.272624	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-H"	-1.007276
"48604"	1186.579071	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M-2H+NH4"	16.019271
"488409"	1771.858971	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M-2H+NH4"	16.019271
"871809"	601.299171	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-2H+NH4"	16.019271
"32780"	1191.534466	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M-2H+Na"	20.974666
"473799"	1776.814366	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M-2H+Na"	20.974666
"849081"	606.254566	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-2H+Na"	20.974666
"1619674"	606.254566	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Na-2H"	20.974666
"97667"	602.260963	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M-H+Cl"	33.962126
"534751"	894.900913	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M-H+Cl"	33.962126
"927936"	309.621013	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-H+Cl"	33.962126
"268455"	1205.529202	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+Cl"	34.969402
"665005"	1790.809102	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+Cl"	34.969402
"1274251"	620.249302	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Cl"	34.969402
"17048"	1207.508406	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M-2H+K"	36.948606
"466089"	1792.788306	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M-2H+K"	36.948606
"839518"	622.228506	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-2H+K"	36.948606
"1571014"	622.228506	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+K-2H"	36.948606
"958326"	630.278094	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-H+HCOOH"	44.998194
"376532"	1215.558001	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+HCOOH-H"	44.998201
"361339"	1229.573651	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+Hac-H"	59.013851
"1507423"	644.293751	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Hac-H"	59.013851
"972653"	652.260051	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-H+NaCOOH"	66.980151
"124840"	620.249302	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+2Cl"	69.938804
"554555"	912.889252	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+2Cl"	69.938804
"1031009"	327.609352	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2Cl"	69.938804
"1244753"	664.198785	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Br"	78.918885
"1307566"	666.254772	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Cl+HCOOH"	80.974872
"1323968"	688.236729	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Cl+NaCOOH"	102.956829
"913934"	698.265486	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M-H+CF3COOH"	112.985586
"1300490"	734.242164	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Cl+CF3COOH"	148.962264
"1376467"	550.267224	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H-2H2O"	-35.012676
"1393600"	568.2772	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H-H2O"	-17.0027
"288183"	1171.567076	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+H"	1.007276
"688629"	1756.846976	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+H"	1.007276
"1365954"	586.287176	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H"	1.007276
"140543"	586.287176	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+2H"	2.014552
"577428"	878.927126	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+2H"	2.014552
"1050601"	293.647226	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2H"	2.014552
"212668"	391.193876	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+3H"	3.021828
"650041"	586.287176	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+3H"	3.021828
"1163790"	196.100576	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+3H"	3.021828
"432533"	1188.593623	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+NH4"	18.033823
"789154"	1773.873523	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+NH4"	18.033823
"1684390"	603.313723	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+NH4"	18.033823
"337040"	594.8004495	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+H+NH4"	19.041099
"726546"	887.4403995	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+H+NH4"	19.041099
"1478911"	302.1604995	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H+NH4"	19.041099
"393338"	1193.549018	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+Na"	22.989218
"757492"	1778.828918	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+Na"	22.989218
"1607779"	608.269118	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Na"	22.989218
"322190"	597.278147	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+H+Na"	23.996494
"714620"	889.918097	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+H+Na"	23.996494
"1464064"	304.638197	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H+Na"	23.996494
"1057307"	203.42789	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2H+Na"	25.00377
"1260079"	618.313386	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+CH3OH+H"	33.033486
"380474"	1209.522958	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+K"	38.963158
"741835"	1794.802858	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+K"	38.963158
"1542069"	624.243058	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+K"	38.963158
"303258"	605.265117	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+H+K"	39.970434
"697866"	897.905067	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+H+K"	39.970434
"1447310"	312.625167	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H+K"	39.970434
"237369"	1212.593626	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+ACN+H"	42.033826
"1219561"	627.313726	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+ACN+H"	42.033826
"1204538"	314.160501	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+ACN+2H"	43.041102
"194128"	1215.53096	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+2Na-H"	44.97116
"632229"	1800.81086	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+2Na-H"	44.97116
"1141569"	630.25106	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2Na-H"	44.97116
"179395"	608.269118	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+2Na"	45.978436
"615675"	900.909068	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+2Na"	45.978436
"1115899"	315.629168	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2Na"	45.978436
"1399291"	210.755204	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H+2Na"	46.985712
"1430195"	632.292646	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H+HCOOH"	47.012746
"220416"	613.30214	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+3H2O+2H"	56.04448
"1509047"	646.34469	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+IsoProp+H"	61.06479
"409093"	616.256088	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+Na+K"	61.952376
"772162"	908.896038	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+Na+K"	61.952376
"1666543"	323.616138	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Na+K"	61.952376
"252097"	1234.575568	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+ACN+Na"	64.015768
"1227355"	649.295668	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+ACN+Na"	64.015768
"1718800"	649.319193	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+NH4+HCOOH"	64.039293
"1185247"	218.082518	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+3Na"	68.967654
"1652224"	654.274588	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Na+HCOOH"	68.994688
"157338"	1247.47884	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+2K-H"	76.91904
"597457"	1832.75874	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+2K-H"	76.91904
"1086074"	662.19894	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2K-H"	76.91904
"142766"	624.243058	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"2M+2K"	77.926316
"583910"	916.883008	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"3M+2K"	77.926316
"1068740"	331.603108	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2K"	77.926316
"1100204"	664.213492	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2K+H"	78.933592
"1335941"	664.301107	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+DMSO+H"	79.021207
"1008371"	668.340276	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2ACN+H"	83.060376
"1526495"	669.333908	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+IsoProp+Na+H"	84.054008
"992944"	334.673776	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+2ACN+2H"	84.067652
"1588539"	670.248528	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+K+HCOOH"	84.968628
"1417481"	700.280038	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+H+CF3COOH"	115.000138
"1151053"	355.187051	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+3ACN+2H"	125.094202
"1697322"	717.306585	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+NH4+CF3COOH"	132.026685
"1645006"	722.26198	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+Na+CF3COOH"	136.98208
"1578470"	738.23592	"C12012"	"Tigecycline;GAR 936;WAY-GAR-936"	"C29H39N5O8"	"585.2799"	"M+K+CF3COOH"	152.95602
"808837"	1619.7104	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M"	0
"981276"	1600.69201	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-H2O-H"	-19.01839
"72802"	1078.79965733333	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M-3H"	-3.021828
"514548"	1618.703124	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M-3H"	-3.021828
"890166"	538.896190666667	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-3H"	-3.021828
"6554"	1618.703124	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M-2H"	-2.014552
"442833"	2428.558324	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M-2H"	-2.014552
"823915"	808.847924	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-2H"	-2.014552
"86093"	3238.413524	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M-H"	-1.007276
"531121"	4858.123924	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M-H"	-1.007276
"903457"	1618.703124	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-H"	-1.007276
"53457"	3255.440071	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M-2H+NH4"	16.019271
"490102"	4875.150471	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M-2H+NH4"	16.019271
"869732"	1635.729671	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-2H+NH4"	16.019271
"32890"	3260.395466	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M-2H+Na"	20.974666
"472571"	4880.105866	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M-2H+Na"	20.974666
"850251"	1640.685066	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-2H+Na"	20.974666
"1626711"	1640.685066	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Na-2H"	20.974666
"101057"	1636.691463	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M-H+Cl"	33.962126
"539522"	2446.546663	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M-H+Cl"	33.962126
"928662"	826.836263	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-H+Cl"	33.962126
"269417"	3274.390202	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+Cl"	34.969402
"662929"	4894.100602	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+Cl"	34.969402
"1276427"	1654.679802	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Cl"	34.969402
"18982"	3276.369406	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M-2H+K"	36.948606
"464013"	4896.079806	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M-2H+K"	36.948606
"839628"	1656.659006	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-2H+K"	36.948606
"1571033"	1656.659006	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+K-2H"	36.948606
"957906"	1664.708594	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-H+HCOOH"	44.998194
"376447"	3284.419001	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+HCOOH-H"	44.998201
"361133"	3298.434651	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+Hac-H"	59.013851
"1507047"	1678.724251	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Hac-H"	59.013851
"972037"	1686.690551	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-H+NaCOOH"	66.980151
"123128"	1654.679802	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+2Cl"	69.938804
"563416"	2464.535002	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+2Cl"	69.938804
"1026743"	844.824602	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2Cl"	69.938804
"1246321"	1698.629285	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Br"	78.918885
"1310954"	1700.685272	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Cl+HCOOH"	80.974872
"1325172"	1722.667229	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Cl+NaCOOH"	102.956829
"915137"	1732.695986	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M-H+CF3COOH"	112.985586
"1294032"	1768.672664	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Cl+CF3COOH"	148.962264
"1376578"	1584.697724	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H-2H2O"	-35.012676
"1390794"	1602.7077	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H-H2O"	-17.0027
"289386"	3240.428076	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+H"	1.007276
"685823"	4860.138476	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+H"	1.007276
"1365823"	1620.717676	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H"	1.007276
"141137"	1620.717676	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+2H"	2.014552
"577538"	2430.572876	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+2H"	2.014552
"1051075"	810.862476	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2H"	2.014552
"217518"	1080.81420933333	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+3H"	3.021828
"655984"	1620.717676	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+3H"	3.021828
"1166089"	540.910742666667	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+3H"	3.021828
"432642"	3257.454623	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+NH4"	18.033823
"788171"	4877.165023	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+NH4"	18.033823
"1684501"	1637.744223	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+NH4"	18.033823
"334964"	1629.2309495	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+H+NH4"	19.041099
"726292"	2439.0861495	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+H+NH4"	19.041099
"1479021"	819.3757495	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H+NH4"	19.041099
"393691"	3262.410018	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+Na"	22.989218
"755657"	4882.120418	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+Na"	22.989218
"1607889"	1642.699618	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Na"	22.989218
"319020"	1631.708647	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+H+Na"	23.996494
"707672"	2441.563847	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+H+Na"	23.996494
"1468549"	821.853447	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H+Na"	23.996494
"1058513"	548.238056666667	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2H+Na"	25.00377
"1265659"	1652.743886	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+CH3OH+H"	33.033486
"385326"	3278.383958	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+K"	38.963158
"746320"	4898.094358	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+K"	38.963158
"1541815"	1658.673558	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+K"	38.963158
"302274"	1639.695617	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+H+K"	39.970434
"696883"	2449.550817	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+H+K"	39.970434
"1448515"	829.840417	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H+K"	39.970434
"238204"	3281.454626	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+ACN+H"	42.033826
"1219671"	1661.744226	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+ACN+H"	42.033826
"1206835"	831.375751	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+ACN+2H"	43.041102
"194238"	3284.39196	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+2Na-H"	44.97116
"639265"	4904.10236	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+2Na-H"	44.97116
"1141679"	1664.68156	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2Na-H"	44.97116
"176222"	1642.699618	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+2Na"	45.978436
"615783"	2452.554818	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+2Na"	45.978436
"1116734"	832.844418	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2Na"	45.978436
"1400625"	555.565370666667	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H+2Na"	46.985712
"1432737"	1666.723146	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H+HCOOH"	47.012746
"222799"	1647.73264	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+3H2O+2H"	56.04448
"1508870"	1680.77519	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+IsoProp+H"	61.06479
"409810"	1650.686588	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+Na+K"	61.952376
"772636"	2460.541788	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+Na+K"	61.952376
"1668966"	840.831388	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Na+K"	61.952376
"252572"	3303.436568	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+ACN+Na"	64.015768
"1226372"	1683.726168	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+ACN+Na"	64.015768
"1717817"	1683.749693	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+NH4+HCOOH"	64.039293
"1182076"	562.892684666667	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+3Na"	68.967654
"1650872"	1688.705088	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Na+HCOOH"	68.994688
"157976"	3316.33984	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+2K-H"	76.91904
"597164"	4936.05024	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+2K-H"	76.91904
"1086184"	1696.62944	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2K-H"	76.91904
"143119"	1658.673558	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"2M+2K"	77.926316
"584749"	2468.528758	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"3M+2K"	77.926316
"1068770"	848.818358	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2K"	77.926316
"1100398"	1698.643992	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2K+H"	78.933592
"1335762"	1698.731607	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+DMSO+H"	79.021207
"1005954"	1702.770776	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2ACN+H"	83.060376
"1526603"	1703.764408	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+IsoProp+Na+H"	84.054008
"991959"	851.889026	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+2ACN+2H"	84.067652
"1588040"	1704.679028	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+K+HCOOH"	84.968628
"1415280"	1734.710538	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+H+CF3COOH"	115.000138
"1153350"	872.402301	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+3ACN+2H"	125.094202
"1699620"	1751.737085	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+NH4+CF3COOH"	132.026685
"1645116"	1756.69248	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+Na+CF3COOH"	136.98208
"1578580"	1772.66642	"C12013"	"Daptomycin"	"C72H101N17O26"	"1619.7104"	"M+K+CF3COOH"	152.95602
"805667"	1590.5248	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M"	0
"980293"	1571.50641	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-H2O-H"	-19.01839
"74005"	1059.34259066667	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M-3H"	-3.021828
"516845"	1589.517524	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M-3H"	-3.021828
"892463"	529.167657333333	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-3H"	-3.021828
"15046"	1589.517524	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M-2H"	-2.014552
"448411"	2384.779924	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M-2H"	-2.014552
"831680"	794.255124	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-2H"	-2.014552
"93985"	3180.042324	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M-H"	-1.007276
"531231"	4770.567124	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M-H"	-1.007276
"909034"	1589.517524	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-H"	-1.007276
"52476"	3197.068871	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M-2H+NH4"	16.019271
"493130"	4787.593671	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M-2H+NH4"	16.019271
"869113"	1606.544071	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-2H+NH4"	16.019271
"35187"	3202.024266	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M-2H+Na"	20.974666
"476572"	4792.549066	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M-2H+Na"	20.974666
"853278"	1611.499466	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-2H+Na"	20.974666
"1625728"	1611.499466	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Na-2H"	20.974666
"107727"	1607.505863	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M-H+Cl"	33.962126
"541819"	2402.768263	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M-H+Cl"	33.962126
"932054"	812.243463	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-H+Cl"	33.962126
"269526"	3216.019002	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+Cl"	34.969402
"666320"	4806.543802	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+Cl"	34.969402
"1276537"	1625.494202	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Cl"	34.969402
"17268"	3217.998206	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M-2H+K"	36.948606
"467403"	4808.523006	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M-2H+K"	36.948606
"841925"	1627.473406	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-2H+K"	36.948606
"1570906"	1627.473406	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+K-2H"	36.948606
"957080"	1635.522994	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-H+HCOOH"	44.998194
"376263"	3226.047801	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+HCOOH-H"	44.998201
"360639"	3240.063451	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+Hac-H"	59.013851
"1507160"	1649.538651	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Hac-H"	59.013851
"972877"	1657.504951	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-H+NaCOOH"	66.980151
"123606"	1625.494202	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+2Cl"	69.938804
"564258"	2420.756602	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+2Cl"	69.938804
"1030133"	830.231802	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2Cl"	69.938804
"1248618"	1669.443685	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Br"	78.918885
"1314346"	1671.499672	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Cl+HCOOH"	80.974872
"1332936"	1693.481629	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Cl+NaCOOH"	102.956829
"920714"	1703.510386	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M-H+CF3COOH"	112.985586
"1297422"	1739.487064	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Cl+CF3COOH"	148.962264
"1377417"	1555.512124	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H-2H2O"	-35.012676
"1394551"	1573.5221	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H-H2O"	-17.0027
"291686"	3182.056876	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+H"	1.007276
"690794"	4772.581676	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+H"	1.007276
"1366663"	1591.532076	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H"	1.007276
"141367"	1591.532076	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+2H"	2.014552
"580928"	2386.794476	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+2H"	2.014552
"1051914"	796.269676	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2H"	2.014552
"217628"	1061.35714266667	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+3H"	3.021828
"653542"	1591.532076	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+3H"	3.021828
"1172759"	531.182209333333	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+3H"	3.021828
"431659"	3199.083423	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+NH4"	18.033823
"788281"	4789.608223	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+NH4"	18.033823
"1682181"	1608.558623	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+NH4"	18.033823
"330823"	1600.0453495	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+H+NH4"	19.041099
"726405"	2395.3077495	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+H+NH4"	19.041099
"1487882"	804.7829495	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H+NH4"	19.041099
"397813"	3204.038818	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+Na"	22.989218
"759902"	4794.563618	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+Na"	22.989218
"1612375"	1613.514018	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Na"	22.989218
"322410"	1602.523047	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+H+Na"	23.996494
"713740"	2397.785447	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+H+Na"	23.996494
"1468659"	807.260647	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H+Na"	23.996494
"1061904"	538.509523333333	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2H+Na"	25.00377
"1263582"	1623.558286	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+CH3OH+H"	33.033486
"384343"	3220.012758	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+K"	38.963158
"745338"	4810.537558	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+K"	38.963158
"1542655"	1629.487958	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+K"	38.963158
"301656"	1610.510017	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+H+K"	39.970434
"693709"	2405.772417	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+H+K"	39.970434
"1450813"	815.247617	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H+K"	39.970434
"237586"	3223.083426	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+ACN+H"	42.033826
"1221969"	1632.558626	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+ACN+H"	42.033826
"1204759"	816.782951	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+ACN+2H"	43.041102
"200909"	3226.02076	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+2Na-H"	44.97116
"639375"	4816.54556	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+2Na-H"	44.97116
"1139603"	1635.49596	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2Na-H"	44.97116
"178519"	1613.514018	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+2Na"	45.978436
"615893"	2408.776418	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+2Na"	45.978436
"1119399"	818.251618	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2Na"	45.978436
"1399394"	545.836837333333	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H+2Na"	46.985712
"1438317"	1637.537546	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H+HCOOH"	47.012746
"226919"	1618.54704	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+3H2O+2H"	56.04448
"1511703"	1651.58959	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+IsoProp+H"	61.06479
"414668"	1621.500988	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+Na+K"	61.952376
"774570"	2416.763388	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+Na+K"	61.952376
"1671628"	826.238588	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Na+K"	61.952376
"260705"	3245.065368	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+ACN+Na"	64.015768
"1230133"	1654.540568	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+ACN+Na"	64.015768
"1717927"	1654.564093	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+NH4+HCOOH"	64.039293
"1183281"	553.164151333333	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+3Na"	68.967654
"1651715"	1659.519488	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Na+HCOOH"	68.994688
"158940"	3257.96864	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+2K-H"	76.91904
"597889"	4848.49344	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+2K-H"	76.91904
"1084504"	1667.44384	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2K-H"	76.91904
"141636"	1629.487958	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"2M+2K"	77.926316
"581421"	2424.750358	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"3M+2K"	77.926316
"1068517"	834.225558	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2K"	77.926316
"1100014"	1669.458392	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2K+H"	78.933592
"1335793"	1669.546007	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+DMSO+H"	79.021207
"1006516"	1673.585176	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2ACN+H"	83.060376
"1524760"	1674.578808	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+IsoProp+Na+H"	84.054008
"992068"	837.296226	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+2ACN+2H"	84.067652
"1588149"	1675.493428	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+K+HCOOH"	84.968628
"1415026"	1705.524938	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+H+CF3COOH"	115.000138
"1150180"	857.809501	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+3ACN+2H"	125.094202
"1698636"	1722.551485	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+NH4+CF3COOH"	132.026685
"1647413"	1727.50688	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+Na+CF3COOH"	136.98208
"1578690"	1743.48082	"C12014"	"Chloroeremomycin;Chloroorienticin A"	"C73H88Cl2N10O26"	"1590.5248"	"M+K+CF3COOH"	152.95602
"805777"	1311.1377	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M"	0
"974570"	1292.11931	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-H2O-H"	-19.01839
"75209"	873.084524	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M-3H"	-3.021828
"514768"	1310.130424	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M-3H"	-3.021828
"880547"	436.038624	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-3H"	-3.021828
"3495"	1310.130424	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M-2H"	-2.014552
"448521"	1965.699274	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M-2H"	-2.014552
"823043"	654.561574	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-2H"	-2.014552
"79754"	2621.268124	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M-H"	-1.007276
"522596"	3932.405824	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M-H"	-1.007276
"896143"	1310.130424	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-H"	-1.007276
"50036"	2638.294671	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M-2H+NH4"	16.019271
"488134"	3949.432371	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M-2H+NH4"	16.019271
"869223"	1327.156971	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-2H+NH4"	16.019271
"33838"	2643.250066	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M-2H+Na"	20.974666
"471737"	3954.387766	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M-2H+Na"	20.974666
"850472"	1332.112366	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-2H+Na"	20.974666
"1626932"	1332.112366	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Na-2H"	20.974666
"95442"	1328.118763	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M-H+Cl"	33.962126
"536462"	1983.687613	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M-H+Cl"	33.962126
"927419"	672.549913	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-H+Cl"	33.962126
"270719"	2657.244802	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+Cl"	34.969402
"661325"	3968.382502	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+Cl"	34.969402
"1275550"	1346.107102	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Cl"	34.969402
"16892"	2659.224006	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M-2H+K"	36.948606
"463139"	3970.361706	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M-2H+K"	36.948606
"842035"	1348.086306	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-2H+K"	36.948606
"1570650"	1348.086306	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+K-2H"	36.948606
"958008"	1356.135894	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-H+HCOOH"	44.998194
"376372"	2667.273601	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+HCOOH-H"	44.998201
"361120"	2681.289251	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+Hac-H"	59.013851
"1508049"	1370.151551	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Hac-H"	59.013851
"972258"	1378.117851	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-H+NaCOOH"	66.980151
"124934"	1346.107102	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+2Cl"	69.938804
"564977"	2001.675952	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+2Cl"	69.938804
"1034988"	690.538252	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2Cl"	69.938804
"1256024"	1390.056585	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Br"	78.918885
"1314456"	1392.112572	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Cl+HCOOH"	80.974872
"1329766"	1414.094529	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Cl+NaCOOH"	102.956829
"923011"	1424.123286	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M-H+CF3COOH"	112.985586
"1297532"	1460.099964	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Cl+CF3COOH"	148.962264
"1372416"	1276.125024	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H-2H2O"	-35.012676
"1394297"	1294.135	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H-H2O"	-17.0027
"291796"	2623.282676	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+H"	1.007276
"691025"	3934.420376	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+H"	1.007276
"1365555"	1312.144976	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H"	1.007276
"140508"	1312.144976	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+2H"	2.014552
"580674"	1967.713826	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+2H"	2.014552
"1050567"	656.576126	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2H"	2.014552
"217739"	875.099076	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+3H"	3.021828
"653652"	1312.144976	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+3H"	3.021828
"1171776"	438.053176	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+3H"	3.021828
"435049"	2640.309223	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+NH4"	18.033823
"788391"	3951.446923	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+NH4"	18.033823
"1681806"	1329.171523	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+NH4"	18.033823
"333000"	1320.6582495	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+H+NH4"	19.041099
"729795"	1976.2270995	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+H+NH4"	19.041099
"1489085"	665.0893995	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H+NH4"	19.041099
"397923"	2645.264618	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+Na"	22.989218
"760012"	3956.402318	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+Na"	22.989218
"1612485"	1334.126918	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Na"	22.989218
"324707"	1323.135947	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+H+Na"	23.996494
"714944"	1978.704797	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+H+Na"	23.996494
"1468769"	667.567097	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H+Na"	23.996494
"1057640"	445.38049	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2H+Na"	25.00377
"1262598"	1344.171186	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+CH3OH+H"	33.033486
"382263"	2661.238558	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+K"	38.963158
"742166"	3972.376258	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+K"	38.963158
"1542033"	1350.100858	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+K"	38.963158
"299210"	1331.122917	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+H+K"	39.970434
"692362"	1986.691767	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+H+K"	39.970434
"1449830"	675.554067	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H+K"	39.970434
"237331"	2664.309226	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+ACN+H"	42.033826
"1220986"	1353.171526	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+ACN+H"	42.033826
"1201589"	677.089401	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+ACN+2H"	43.041102
"198833"	2667.24656	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+2Na-H"	44.97116
"636206"	3978.38426	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+2Na-H"	44.97116
"1139713"	1356.10886	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2Na-H"	44.97116
"178629"	1334.126918	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+2Na"	45.978436
"614543"	1989.695768	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+2Na"	45.978436
"1116592"	678.558068	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2Na"	45.978436
"1398810"	452.707804	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H+2Na"	46.985712
"1437334"	1358.150446	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H+HCOOH"	47.012746
"229216"	1339.15994	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+3H2O+2H"	56.04448
"1517277"	1372.20249	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+IsoProp+H"	61.06479
"412955"	1342.113888	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+Na+K"	61.952376
"773951"	1997.682738	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+Na+K"	61.952376
"1669916"	686.545038	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Na+K"	61.952376
"261908"	2686.291168	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+ACN+Na"	64.015768
"1228055"	1375.153468	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+ACN+Na"	64.015768
"1718037"	1375.176993	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+NH4+HCOOH"	64.039293
"1183757"	460.035118	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+3Na"	68.967654
"1651460"	1380.132388	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Na+HCOOH"	68.994688
"158198"	2699.19444	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+2K-H"	76.91904
"597242"	4010.33214	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+2K-H"	76.91904
"1085914"	1388.05674	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2K-H"	76.91904
"141467"	1350.100858	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"2M+2K"	77.926316
"583143"	2005.669708	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"3M+2K"	77.926316
"1068593"	694.532008	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2K"	77.926316
"1100619"	1390.071292	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2K+H"	78.933592
"1335705"	1390.158907	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+DMSO+H"	79.021207
"1005696"	1394.198076	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2ACN+H"	83.060376
"1524511"	1395.191708	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+IsoProp+Na+H"	84.054008
"990352"	697.602676	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+2ACN+2H"	84.067652
"1589963"	1396.106328	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+K+HCOOH"	84.968628
"1416717"	1426.137838	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+H+CF3COOH"	115.000138
"1151381"	718.115951	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+3ACN+2H"	125.094202
"1704215"	1443.164385	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+NH4+CF3COOH"	132.026685
"1640960"	1448.11978	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+Na+CF3COOH"	136.98208
"1575518"	1464.09372	"C12016"	"A47934;Antibiotic A 47934"	"C58H44Cl3N7O21S"	"1311.1377"	"M+K+CF3COOH"	152.95602
"802606"	493.0977	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M"	0
"974551"	474.07931	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-H2O-H"	-19.01839
"69851"	327.724524	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M-3H"	-3.021828
"510503"	492.090424	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M-3H"	-3.021828
"881749"	163.358624	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-3H"	-3.021828
"6884"	492.090424	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M-2H"	-2.014552
"446445"	738.639274	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M-2H"	-2.014552
"823153"	245.541574	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-2H"	-2.014552
"80957"	985.188124	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M-H"	-1.007276
"529265"	1478.285824	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M-H"	-1.007276
"899048"	492.090424	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-H"	-1.007276
"50507"	1002.214671	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M-2H+NH4"	16.019271
"490068"	1495.312371	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M-2H+NH4"	16.019271
"868968"	509.116971	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-2H+NH4"	16.019271
"34313"	1007.170066	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M-2H+Na"	20.974666
"474967"	1500.267766	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M-2H+Na"	20.974666
"850218"	514.072366	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-2H+Na"	20.974666
"1624854"	514.072366	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Na-2H"	20.974666
"95550"	510.078763	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M-H+Cl"	33.962126
"536204"	756.627613	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M-H+Cl"	33.962126
"931179"	263.529913	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-H+Cl"	33.962126
"268642"	1021.164802	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+Cl"	34.969402
"661432"	1514.262502	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+Cl"	34.969402
"1273513"	528.067102	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Cl"	34.969402
"20404"	1023.144006	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M-2H+K"	36.948606
"457780"	1516.241706	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M-2H+K"	36.948606
"838865"	530.046306	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-2H+K"	36.948606
"1571078"	530.046306	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+K-2H"	36.948606
"957866"	538.095894	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-H+HCOOH"	44.998194
"376566"	1031.193601	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+HCOOH-H"	44.998201
"360361"	1045.209251	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+Hac-H"	59.013851
"1506637"	552.111551	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Hac-H"	59.013851
"972367"	560.077851	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-H+NaCOOH"	66.980151
"124065"	528.067102	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+2Cl"	69.938804
"563991"	774.615952	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+2Cl"	69.938804
"1033634"	281.518252	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2Cl"	69.938804
"1256011"	572.016585	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Br"	78.918885
"1318210"	574.072572	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Cl+HCOOH"	80.974872
"1332062"	596.054529	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Cl+NaCOOH"	102.956829
"926650"	606.083286	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M-H+CF3COOH"	112.985586
"1303111"	642.059964	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Cl+CF3COOH"	148.962264
"1373618"	458.085024	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H-2H2O"	-35.012676
"1385653"	476.095	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H-H2O"	-17.0027
"286434"	987.202676	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+H"	1.007276
"690406"	1480.300376	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+H"	1.007276
"1365419"	494.104976	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H"	1.007276
"138307"	494.104976	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+2H"	2.014552
"578233"	740.653826	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+2H"	2.014552
"1047760"	247.556126	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2H"	2.014552
"213108"	329.739076	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+3H"	3.021828
"650481"	494.104976	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+3H"	3.021828
"1168606"	165.373176	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+3H"	3.021828
"428599"	1004.229223	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+NH4"	18.033823
"789595"	1497.326923	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+NH4"	18.033823
"1682280"	511.131523	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+NH4"	18.033823
"334203"	502.6182495	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+H+NH4"	19.041099
"723708"	749.1670995	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+H+NH4"	19.041099
"1481538"	256.0693995	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H+NH4"	19.041099
"398033"	1009.184618	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+Na"	22.989218
"764131"	1502.282318	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+Na"	22.989218
"1615510"	516.086918	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Na"	22.989218
"324088"	505.095947	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+H+Na"	23.996494
"715055"	751.644797	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+H+Na"	23.996494
"1462559"	258.547097	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H+Na"	23.996494
"1052785"	172.70049	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2H+Na"	25.00377
"1258086"	526.131186	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+CH3OH+H"	33.033486
"378482"	1025.158558	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+K"	38.963158
"743365"	1518.256258	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+K"	38.963158
"1539879"	532.060858	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+K"	38.963158
"299321"	513.082917	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+H+K"	39.970434
"691373"	759.631767	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+H+K"	39.970434
"1445737"	266.534067	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H+K"	39.970434
"235730"	1028.229226	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+ACN+H"	42.033826
"1217816"	535.131526	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+ACN+H"	42.033826
"1201699"	268.069401	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+ACN+2H"	43.041102
"196756"	1031.16656	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+2Na-H"	44.97116
"633035"	1524.26426	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+2Na-H"	44.97116
"1139823"	538.06886	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2Na-H"	44.97116
"178739"	516.086918	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+2Na"	45.978436
"613150"	762.635768	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+2Na"	45.978436
"1116702"	269.538068	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2Na"	45.978436
"1398529"	180.027804	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H+2Na"	46.985712
"1437443"	540.110446	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H+HCOOH"	47.012746
"231149"	521.11994	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+3H2O+2H"	56.04448
"1516293"	554.16249	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+IsoProp+H"	61.06479
"412701"	524.073888	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+Na+K"	61.952376
"773697"	770.622738	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+Na+K"	61.952376
"1673308"	277.525038	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Na+K"	61.952376
"258738"	1050.211168	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+ACN+Na"	64.015768
"1227801"	557.113468	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+ACN+Na"	64.015768
"1714501"	557.136993	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+NH4+HCOOH"	64.039293
"1184597"	187.355118	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+3Na"	68.967654
"1653028"	562.092388	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Na+HCOOH"	68.994688
"157823"	1063.11444	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+2K-H"	76.91904
"597259"	1556.21214	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+2K-H"	76.91904
"1084273"	570.01674	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2K-H"	76.91904
"141440"	532.060858	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"2M+2K"	77.926316
"582888"	778.609708	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"3M+2K"	77.926316
"1068647"	285.512008	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2K"	77.926316
"1100123"	572.031292	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2K+H"	78.933592
"1335940"	572.118907	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+DMSO+H"	79.021207
"1005779"	576.158076	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2ACN+H"	83.060376
"1525838"	577.151708	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+IsoProp+Na+H"	84.054008
"991557"	288.582676	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+2ACN+2H"	84.067652
"1591167"	578.066328	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+K+HCOOH"	84.968628
"1416826"	608.097838	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+H+CF3COOH"	115.000138
"1150398"	309.095951	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+3ACN+2H"	125.094202
"1701043"	625.124385	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+NH4+CF3COOH"	132.026685
"1641070"	630.07978	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+Na+CF3COOH"	136.98208
"1573441"	646.05372	"C12017"	"MK826"	"C21H23N3O7S2"	"493.0977"	"M+K+CF3COOH"	152.95602
"805997"	461.0953	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M"	0
"975155"	442.07691	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-H2O-H"	-19.01839
"74335"	306.389590666667	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M-3H"	-3.021828
"509520"	460.088024	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M-3H"	-3.021828
"884046"	152.691157333333	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-3H"	-3.021828
"8088"	460.088024	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M-2H"	-2.014552
"446556"	690.635674	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M-2H"	-2.014552
"823263"	229.540374	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-2H"	-2.014552
"87629"	921.183324	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M-H"	-1.007276
"529376"	1382.278624	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M-H"	-1.007276
"900617"	460.088024	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-H"	-1.007276
"50253"	938.209871	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M-2H+NH4"	16.019271
"490177"	1399.305171	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M-2H+NH4"	16.019271
"872358"	477.114571	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-2H+NH4"	16.019271
"35885"	943.165266	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M-2H+Na"	20.974666
"476539"	1404.260566	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M-2H+Na"	20.974666
"851060"	482.069966	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-2H+Na"	20.974666
"1624966"	482.069966	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Na-2H"	20.974666
"105867"	478.076363	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M-H+Cl"	33.962126
"541053"	708.624013	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M-H+Cl"	33.962126
"935662"	247.528713	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-H+Cl"	33.962126
"273127"	957.160002	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+Cl"	34.969402
"661298"	1418.255302	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+Cl"	34.969402
"1273458"	496.064702	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Cl"	34.969402
"16016"	959.139206	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M-2H+K"	36.948606
"456187"	1420.234506	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M-2H+K"	36.948606
"843348"	498.043906	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-2H+K"	36.948606
"1571170"	498.043906	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+K-2H"	36.948606
"957970"	506.093494	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-H+HCOOH"	44.998194
"375130"	967.188801	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+HCOOH-H"	44.998201
"359378"	981.204451	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+Hac-H"	59.013851
"1505654"	520.109151	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Hac-H"	59.013851
"971010"	528.075451	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-H+NaCOOH"	66.980151
"121010"	496.064702	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+2Cl"	69.938804
"564460"	726.612352	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+2Cl"	69.938804
"1033744"	265.517052	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2Cl"	69.938804
"1247854"	540.014185	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Br"	78.918885
"1313583"	542.070172	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Cl+HCOOH"	80.974872
"1324520"	564.052129	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Cl+NaCOOH"	102.956829
"919952"	574.080886	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M-H+CF3COOH"	112.985586
"1294472"	610.057564	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Cl+CF3COOH"	148.962264
"1370449"	426.082624	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H-2H2O"	-35.012676
"1385392"	444.0926	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H-H2O"	-17.0027
"288730"	923.197876	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+H"	1.007276
"688450"	1384.293176	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+H"	1.007276
"1365530"	462.102576	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H"	1.007276
"138417"	462.102576	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+2H"	2.014552
"577978"	692.650226	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+2H"	2.014552
"1048234"	231.554926	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2H"	2.014552
"211031"	308.404142666667	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+3H"	3.021828
"648404"	462.102576	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+3H"	3.021828
"1169809"	154.705709333333	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+3H"	3.021828
"428709"	940.224423	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+NH4"	18.033823
"790798"	1401.319723	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+NH4"	18.033823
"1681944"	479.129123	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+NH4"	18.033823
"336500"	470.6158495	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+H+NH4"	19.041099
"728921"	701.1634995	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+H+NH4"	19.041099
"1480554"	240.0681995	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H+NH4"	19.041099
"401420"	945.179818	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+Na"	22.989218
"765698"	1406.275118	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+Na"	22.989218
"1615620"	484.084518	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Na"	22.989218
"321646"	473.093547	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+H+Na"	23.996494
"715166"	703.641197	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+H+Na"	23.996494
"1463156"	242.545897	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H+Na"	23.996494
"1053482"	162.033023333333	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2H+Na"	25.00377
"1258806"	494.128786	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+CH3OH+H"	33.033486
"379928"	961.153758	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+K"	38.963158
"741292"	1422.249058	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+K"	38.963158
"1540153"	500.058458	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+K"	38.963158
"299795"	481.080517	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+H+K"	39.970434
"691444"	711.628167	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+H+K"	39.970434
"1447859"	250.532867	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H+K"	39.970434
"239743"	964.224426	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+ACN+H"	42.033826
"1216832"	503.129126	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+ACN+H"	42.033826
"1200716"	252.068201	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+ACN+2H"	43.041102
"197960"	967.16176	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+2Na-H"	44.97116
"636426"	1428.25706	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+2Na-H"	44.97116
"1138841"	506.06646	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2Na-H"	44.97116
"177756"	484.084518	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+2Na"	45.978436
"613545"	714.632168	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+2Na"	45.978436
"1123008"	253.536868	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2Na"	45.978436
"1406531"	169.360337333333	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H+2Na"	46.985712
"1435367"	508.108046	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H+HCOOH"	47.012746
"229436"	489.11754	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+3H2O+2H"	56.04448
"1515310"	522.16009	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+IsoProp+H"	61.06479
"413905"	492.071488	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+Na+K"	61.952376
"775993"	722.619138	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+Na+K"	61.952376
"1673417"	261.523838	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Na+K"	61.952376
"258848"	986.206368	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+ACN+Na"	64.015768
"1230463"	525.111068	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+ACN+Na"	64.015768
"1714611"	525.134593	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+NH4+HCOOH"	64.039293
"1189079"	176.687651333333	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+3Na"	68.967654
"1655690"	530.089988	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Na+HCOOH"	68.994688
"160364"	999.10964	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+2K-H"	76.91904
"597653"	1460.20494	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+2K-H"	76.91904
"1089905"	538.01434	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2K-H"	76.91904
"143804"	500.058458	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"2M+2K"	77.926316
"582512"	730.606108	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"3M+2K"	77.926316
"1069209"	269.510808	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2K"	77.926316
"1101814"	540.028892	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2K+H"	78.933592
"1338199"	540.116507	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+DMSO+H"	79.021207
"1006850"	544.155676	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2ACN+H"	83.060376
"1527041"	545.149308	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+IsoProp+Na+H"	84.054008
"991666"	272.581476	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+2ACN+2H"	84.067652
"1591275"	546.063928	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+K+HCOOH"	84.968628
"1416934"	576.095438	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+H+CF3COOH"	115.000138
"1150508"	293.094751	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+3ACN+2H"	125.094202
"1701153"	593.121985	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+NH4+CF3COOH"	132.026685
"1644461"	598.07738	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+Na+CF3COOH"	136.98208
"1579019"	614.05132	"C12018"	"SM-17466"	"C20H21N4O5S2"	"461.0953"	"M+K+CF3COOH"	152.95602
"803919"	349.1314	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M"	0
"979639"	330.11301	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-H2O-H"	-19.01839
"77361"	231.746990666667	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M-3H"	-3.021828
"512910"	348.124124	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M-3H"	-3.021828
"890717"	115.369857333333	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-3H"	-3.021828
"15450"	348.124124	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M-2H"	-2.014552
"454929"	522.689824	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M-2H"	-2.014552
"821189"	173.558424	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-2H"	-2.014552
"87741"	697.255524	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M-H"	-1.007276
"533866"	1046.386924	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M-H"	-1.007276
"905101"	348.124124	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-H"	-1.007276
"51824"	714.282071	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M-2H+NH4"	16.019271
"490290"	1063.413471	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M-2H+NH4"	16.019271
"873562"	365.150671	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-2H+NH4"	16.019271
"37089"	719.237466	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M-2H+Na"	20.974666
"477743"	1068.368866	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M-2H+Na"	20.974666
"859554"	370.106066	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-2H+Na"	20.974666
"1629450"	370.106066	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Na-2H"	20.974666
"104884"	366.112463	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M-H+Cl"	33.962126
"541163"	540.678163	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M-H+Cl"	33.962126
"936865"	191.546763	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-H+Cl"	33.962126
"273237"	733.232202	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+Cl"	34.969402
"661166"	1082.363602	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+Cl"	34.969402
"1275151"	384.100802	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Cl"	34.969402
"19532"	735.211406	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M-2H+K"	36.948606
"458000"	1084.342806	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M-2H+K"	36.948606
"844552"	386.080006	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-2H+K"	36.948606
"1570652"	386.080006	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+K-2H"	36.948606
"958086"	394.129594	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-H+HCOOH"	44.998194
"376582"	743.261001	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+HCOOH-H"	44.998201
"360216"	757.276651	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+Hac-H"	59.013851
"1507223"	408.145251	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Hac-H"	59.013851
"973313"	416.111551	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-H+NaCOOH"	66.980151
"123681"	384.100802	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+2Cl"	69.938804
"565152"	558.666502	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+2Cl"	69.938804
"1034954"	209.535102	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2Cl"	69.938804
"1256352"	428.050285	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Br"	78.918885
"1319530"	430.106272	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Cl+HCOOH"	80.974872
"1335202"	452.088229	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Cl+NaCOOH"	102.956829
"927033"	462.116986	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M-H+CF3COOH"	112.985586
"1304127"	498.093664	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Cl+CF3COOH"	148.962264
"1382100"	314.118724	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H-2H2O"	-35.012676
"1391332"	332.1287	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H-H2O"	-17.0027
"293944"	699.270076	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+H"	1.007276
"687463"	1048.401476	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+H"	1.007276
"1364911"	350.138676	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H"	1.007276
"135975"	350.138676	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+2H"	2.014552
"575536"	524.704376	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+2H"	2.014552
"1045428"	175.572976	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2H"	2.014552
"214421"	233.761542666667	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+3H"	3.021828
"653981"	350.138676	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+3H"	3.021828
"1173199"	117.384409333333	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+3H"	3.021828
"435380"	716.296623	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+NH4"	18.033823
"794188"	1065.428023	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+NH4"	18.033823
"1687239"	367.165223	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+NH4"	18.033823
"336610"	358.6519495	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+H+NH4"	19.041099
"727938"	533.2176495	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+H+NH4"	19.041099
"1482851"	184.0862495	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H+NH4"	19.041099
"398250"	721.252018	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+Na"	22.989218
"765808"	1070.383418	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+Na"	22.989218
"1613907"	372.120618	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Na"	22.989218
"321756"	361.129647	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+H+Na"	23.996494
"719653"	535.695347	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+H+Na"	23.996494
"1464724"	186.563947	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H+Na"	23.996494
"1056147"	124.711723333333	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2H+Na"	25.00377
"1264021"	382.164886	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+CH3OH+H"	33.033486
"386968"	737.225958	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+K"	38.963158
"745777"	1086.357358	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+K"	38.963158
"1542364"	388.094558	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+K"	38.963158
"302824"	369.116617	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+H+K"	39.970434
"695243"	543.682317	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+H+K"	39.970434
"1447969"	194.550917	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H+K"	39.970434
"240947"	740.296626	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+ACN+H"	42.033826
"1219129"	391.165226	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+ACN+H"	42.033826
"1201920"	196.086251	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+ACN+2H"	43.041102
"198070"	743.23396	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+2Na-H"	44.97116
"635443"	1092.36536	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+2Na-H"	44.97116
"1142231"	394.10256	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2Na-H"	44.97116
"178959"	372.120618	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+2Na"	45.978436
"618518"	546.686318	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+2Na"	45.978436
"1125305"	197.554918	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2Na"	45.978436
"1408829"	132.039037333333	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H+2Na"	46.985712
"1438757"	396.144146	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H+HCOOH"	47.012746
"232827"	377.15364	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+3H2O+2H"	56.04448
"1516513"	410.19619	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+IsoProp+H"	61.06479
"418388"	380.107588	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+Na+K"	61.952376
"776103"	554.673288	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+Na+K"	61.952376
"1674620"	205.541888	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Na+K"	61.952376
"264061"	762.278568	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+ACN+Na"	64.015768
"1233854"	413.147168	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+ACN+Na"	64.015768
"1720553"	413.170693	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+NH4+HCOOH"	64.039293
"1183721"	139.366351333333	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+3Na"	68.967654
"1656894"	418.126088	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Na+HCOOH"	68.994688
"160474"	775.18184	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+2K-H"	76.91904
"598941"	1124.31324	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+2K-H"	76.91904
"1090015"	426.05044	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2K-H"	76.91904
"142212"	388.094558	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"2M+2K"	77.926316
"583474"	562.660258	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"3M+2K"	77.926316
"1071994"	213.528858	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2K"	77.926316
"1105204"	428.064992	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2K+H"	78.933592
"1337215"	428.152607	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+DMSO+H"	79.021207
"1006469"	432.191776	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2ACN+H"	83.060376
"1527150"	433.185408	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+IsoProp+Na+H"	84.054008
"991411"	216.599526	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+2ACN+2H"	84.067652
"1588831"	434.100028	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+K+HCOOH"	84.968628
"1415950"	464.131538	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+H+CF3COOH"	115.000138
"1150618"	237.112801	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+3ACN+2H"	125.094202
"1700170"	481.158085	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+NH4+CF3COOH"	132.026685
"1644571"	486.11348	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+Na+CF3COOH"	136.98208
"1582409"	502.08742	"C12019"	"2-(Biaryl)carbapenems"	"C21H19NO4"	"349.1314"	"M+K+CF3COOH"	152.95602
"802936"	765.42	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M"	0
"978654"	746.40161	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-H2O-H"	-19.01839
"75649"	509.272724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M-3H"	-3.021828
"509740"	764.412724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M-3H"	-3.021828
"885358"	254.132724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-3H"	-3.021828
"13775"	764.412724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M-2H"	-2.014552
"454187"	1147.122724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M-2H"	-2.014552
"820205"	381.702724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-2H"	-2.014552
"85663"	1529.832724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M-H"	-1.007276
"533811"	2295.252724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M-H"	-1.007276
"905211"	764.412724	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-H"	-1.007276
"53028"	1546.859271	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M-2H+NH4"	16.019271
"493680"	2312.279271	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M-2H+NH4"	16.019271
"873672"	781.439271	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-2H+NH4"	16.019271
"38292"	1551.814666	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M-2H+Na"	20.974666
"480040"	2317.234666	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M-2H+Na"	20.974666
"860757"	786.394666	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-2H+Na"	20.974666
"1632476"	786.394666	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Na-2H"	20.974666
"108274"	782.401063	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M-H+Cl"	33.962126
"543460"	1165.111063	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M-H+Cl"	33.962126
"942081"	399.691063	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-H+Cl"	33.962126
"276627"	1565.809402	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+Cl"	34.969402
"661881"	2331.229402	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+Cl"	34.969402
"1274894"	800.389402	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Cl"	34.969402
"18547"	1567.788606	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M-2H+K"	36.948606
"459203"	2333.208606	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M-2H+K"	36.948606
"843568"	802.368606	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-2H+K"	36.948606
"1571055"	802.368606	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+K-2H"	36.948606
"958262"	810.418194	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-H+HCOOH"	44.998194
"376922"	1575.838201	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+HCOOH-H"	44.998201
"359112"	1589.853851	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+Hac-H"	59.013851
"1508063"	824.433851	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Hac-H"	59.013851
"972328"	832.400151	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-H+NaCOOH"	66.980151
"124395"	800.389402	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+2Cl"	69.938804
"564077"	1183.099402	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+2Cl"	69.938804
"1034696"	417.679402	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2Cl"	69.938804
"1255852"	844.338885	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Br"	78.918885
"1318540"	846.394872	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Cl+HCOOH"	80.974872
"1335395"	868.376829	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Cl+NaCOOH"	102.956829
"927019"	878.405586	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M-H+CF3COOH"	112.985586
"1303726"	914.382264	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Cl+CF3COOH"	148.962264
"1380875"	730.407324	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H-2H2O"	-35.012676
"1391443"	748.4173	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H-H2O"	-17.0027
"294416"	1531.847276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+H"	1.007276
"687937"	2297.267276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+H"	1.007276
"1361009"	766.427276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H"	1.007276
"132805"	766.427276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+2H"	2.014552
"576739"	1149.137276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+2H"	2.014552
"1046631"	383.717276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2H"	2.014552
"213438"	511.287276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+3H"	3.021828
"657008"	766.427276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+3H"	3.021828
"1173310"	256.147276	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+3H"	3.021828
"431116"	1548.873823	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+NH4"	18.033823
"794297"	2314.293823	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+NH4"	18.033823
"1687349"	783.453823	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+NH4"	18.033823
"336720"	774.9405495	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+H+NH4"	19.041099
"726954"	1157.6505495	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+H+NH4"	19.041099
"1482961"	392.2305495	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H+NH4"	19.041099
"399453"	1553.829218	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+Na"	22.989218
"763731"	2319.249218	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+Na"	22.989218
"1610735"	788.409218	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Na"	22.989218
"319677"	777.418247	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+H+Na"	23.996494
"721220"	1160.128247	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+H+Na"	23.996494
"1462647"	394.708247	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H+Na"	23.996494
"1059173"	263.47459	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2H+Na"	25.00377
"1265225"	798.453486	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+CH3OH+H"	33.033486
"387079"	1569.803158	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+K"	38.963158
"746980"	2335.223158	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+K"	38.963158
"1545754"	804.383158	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+K"	38.963158
"304026"	785.405217	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+H+K"	39.970434
"699726"	1168.115217	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+H+K"	39.970434
"1450268"	402.695217	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H+K"	39.970434
"242151"	1572.873826	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+ACN+H"	42.033826
"1219239"	807.453826	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+ACN+H"	42.033826
"1199843"	404.230551	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+ACN+2H"	43.041102
"194900"	1575.81116	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+2Na-H"	44.97116
"638833"	2341.23116	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+2Na-H"	44.97116
"1139061"	810.39116	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2Na-H"	44.97116
"179069"	788.409218	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+2Na"	45.978436
"621908"	1171.119218	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+2Na"	45.978436
"1125417"	405.699218	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2Na"	45.978436
"1410033"	270.801904	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H+2Na"	46.985712
"1442514"	812.432746	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H+HCOOH"	47.012746
"231844"	793.44224	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+3H2O+2H"	56.04448
"1522091"	826.48479	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+IsoProp+H"	61.06479
"422871"	796.396188	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+Na+K"	61.952376
"778401"	1179.106188	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+Na+K"	61.952376
"1674731"	413.686188	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Na+K"	61.952376
"264171"	1594.855768	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+ACN+Na"	64.015768
"1231777"	829.435768	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+ACN+Na"	64.015768
"1722850"	829.459293	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+NH4+HCOOH"	64.039293
"1187111"	278.129218	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+3Na"	68.967654
"1653723"	834.414688	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Na+HCOOH"	68.994688
"161679"	1607.75904	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+2K-H"	76.91904
"599779"	2373.17904	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+2K-H"	76.91904
"1090125"	842.33904	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2K-H"	76.91904
"146941"	804.383158	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"2M+2K"	77.926316
"586501"	1187.093158	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"3M+2K"	77.926316
"1073197"	421.673158	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2K"	77.926316
"1106407"	844.353592	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2K+H"	78.933592
"1338419"	844.441207	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+DMSO+H"	79.021207
"1008040"	848.480376	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2ACN+H"	83.060376
"1526168"	849.474008	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+IsoProp+Na+H"	84.054008
"995899"	424.743826	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+2ACN+2H"	84.067652
"1591492"	850.388628	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+K+HCOOH"	84.968628
"1417154"	880.420138	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+H+CF3COOH"	115.000138
"1152915"	445.257101	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+3ACN+2H"	125.094202
"1702467"	897.446685	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+NH4+CF3COOH"	132.026685
"1638120"	902.40208	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+Na+CF3COOH"	136.98208
"1582519"	918.37602	"C12020"	"Cethromycin;ABT-773;A-195773;Abbott-195773"	"C42H59N3O10"	"765.42"	"M+K+CF3COOH"	152.95602
"803046"	169.014	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M"	0
"975848"	149.99561	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-H2O-H"	-19.01839
"77217"	111.668724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M-3H"	-3.021828
"510943"	168.006724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M-3H"	-3.021828
"889844"	55.330724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-3H"	-3.021828
"14251"	168.006724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M-2H"	-2.014552
"455391"	252.513724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M-2H"	-2.014552
"830156"	83.499724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-2H"	-2.014552
"92333"	337.020724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M-H"	-1.007276
"531892"	506.034724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M-H"	-1.007276
"909695"	168.006724	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-H"	-1.007276
"53138"	354.047271	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M-2H+NH4"	16.019271
"497071"	523.061271	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M-2H+NH4"	16.019271
"872689"	185.033271	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-2H+NH4"	16.019271
"38402"	359.002666	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M-2H+Na"	20.974666
"480150"	528.016666	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M-2H+Na"	20.974666
"863745"	189.988666	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-2H+Na"	20.974666
"1632586"	189.988666	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Na-2H"	20.974666
"108020"	185.995063	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M-H+Cl"	33.962126
"543570"	270.502063	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M-H+Cl"	33.962126
"942190"	101.488063	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-H+Cl"	33.962126
"278924"	372.997402	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+Cl"	34.969402
"663694"	542.011402	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+Cl"	34.969402
"1278284"	203.983402	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Cl"	34.969402
"19749"	374.976606	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M-2H+K"	36.948606
"459313"	543.990606	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M-2H+K"	36.948606
"843678"	205.962606	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-2H+K"	36.948606
"1571073"	205.962606	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+K-2H"	36.948606
"958374"	214.012194	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-H+HCOOH"	44.998194
"376888"	383.026201	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+HCOOH-H"	44.998201
"359101"	397.041851	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+Hac-H"	59.013851
"1507201"	228.027851	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Hac-H"	59.013851
"972682"	235.994151	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-H+NaCOOH"	66.980151
"124992"	203.983402	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+2Cl"	69.938804
"565160"	288.490402	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+2Cl"	69.938804
"1035532"	119.476402	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2Cl"	69.938804
"1256568"	247.932885	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Br"	78.918885
"1317558"	249.988872	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Cl+HCOOH"	80.974872
"1335465"	271.970829	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Cl+NaCOOH"	102.956829
"925749"	281.999586	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M-H+CF3COOH"	112.985586
"1302458"	317.976264	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Cl+CF3COOH"	148.962264
"1380255"	134.001324	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H-2H2O"	-35.012676
"1395198"	152.0113	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H-H2O"	-17.0027
"290150"	339.035276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+H"	1.007276
"687683"	508.049276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+H"	1.007276
"1363667"	170.021276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H"	1.007276
"136195"	170.021276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+2H"	2.014552
"575756"	254.528276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+2H"	2.014552
"1044555"	85.514276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2H"	2.014552
"212455"	113.683276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+3H"	3.021828
"657484"	170.021276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+3H"	3.021828
"1173420"	57.345276	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+3H"	3.021828
"435601"	356.061823	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+NH4"	18.033823
"794408"	525.075823	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+NH4"	18.033823
"1684179"	187.047823	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+NH4"	18.033823
"332820"	178.5345495	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+H+NH4"	19.041099
"725605"	263.0415495	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+H+NH4"	19.041099
"1483071"	94.0275495	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H+NH4"	19.041099
"395553"	361.017218	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+Na"	22.989218
"763840"	530.031218	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+Na"	22.989218
"1610845"	192.003218	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Na"	22.989218
"320881"	181.012247	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+H+Na"	23.996494
"722468"	265.519247	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+H+Na"	23.996494
"1468226"	96.505247	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H+Na"	23.996494
"1064750"	64.67259	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2H+Na"	25.00377
"1268615"	202.047486	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+CH3OH+H"	33.033486
"388282"	376.991158	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+K"	38.963158
"748183"	546.005158	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+K"	38.963158
"1546957"	207.977158	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+K"	38.963158
"306322"	188.999217	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+H+K"	39.970434
"698743"	273.506217	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+H+K"	39.970434
"1453658"	104.492217	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H+K"	39.970434
"245540"	380.061826	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+ACN+H"	42.033826
"1220443"	211.047826	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+ACN+H"	42.033826
"1197766"	106.027551	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+ACN+2H"	43.041102
"198290"	382.99916	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+2Na-H"	44.97116
"640036"	552.01316	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+2Na-H"	44.97116
"1140264"	213.98516	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2Na-H"	44.97116
"179179"	192.003218	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+2Na"	45.978436
"622018"	276.510218	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+2Na"	45.978436
"1130263"	107.496218	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2Na"	45.978436
"1410873"	71.999904	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H+2Na"	46.985712
"1442261"	216.026746	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H+HCOOH"	47.012746
"232683"	197.03624	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+3H2O+2H"	56.04448
"1522201"	230.07879	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+IsoProp+H"	61.06479
"421888"	199.990188	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+Na+K"	61.952376
"782884"	284.497188	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+Na+K"	61.952376
"1674841"	115.483188	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Na+K"	61.952376
"266469"	402.043768	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+ACN+Na"	64.015768
"1238813"	233.029768	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+ACN+Na"	64.015768
"1726240"	233.053293	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+NH4+HCOOH"	64.039293
"1190501"	79.327218	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+3Na"	68.967654
"1658208"	238.008688	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Na+HCOOH"	68.994688
"165069"	414.94704	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+2K-H"	76.91904
"602441"	583.96104	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+2K-H"	76.91904
"1090235"	245.93304	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2K-H"	76.91904
"151425"	207.977158	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"2M+2K"	77.926316
"584787"	292.484158	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"3M+2K"	77.926316
"1075495"	123.470158	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2K"	77.926316
"1107611"	247.947592	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2K+H"	78.933592
"1339620"	248.035207	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+DMSO+H"	79.021207
"1008150"	252.074376	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2ACN+H"	83.060376
"1526641"	253.068008	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+IsoProp+Na+H"	84.054008
"997102"	126.540826	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+2ACN+2H"	84.067652
"1591602"	253.982628	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+K+HCOOH"	84.968628
"1417264"	284.014138	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+H+CF3COOH"	115.000138
"1149745"	147.054101	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+3ACN+2H"	125.094202
"1703670"	301.040685	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+NH4+CF3COOH"	132.026685
"1641510"	305.99608	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+Na+CF3COOH"	136.98208
"1582629"	321.97002	"C12021"	"Alanylphosphate;D-Alanyl-phosphate"	"C3H8NO5P"	"169.014"	"M+K+CF3COOH"	152.95602
"803156"	275.0324	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M"	0
"974230"	256.01401	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-H2O-H"	-19.01839
"68214"	182.347657333333	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M-3H"	-3.021828
"508867"	274.025124	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M-3H"	-3.021828
"887767"	90.6701906666667	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-3H"	-3.021828
"10716"	274.025124	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M-2H"	-2.014552
"453922"	411.541324	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M-2H"	-2.014552
"826984"	136.508924	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-2H"	-2.014552
"85881"	549.057524	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M-H"	-1.007276
"529815"	824.089924	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M-H"	-1.007276
"901058"	274.025124	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-H"	-1.007276
"51061"	566.084071	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M-2H+NH4"	16.019271
"490621"	841.116471	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M-2H+NH4"	16.019271
"872799"	291.051671	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-2H+NH4"	16.019271
"37419"	571.039466	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M-2H+Na"	20.974666
"480260"	846.071866	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M-2H+Na"	20.974666
"862922"	296.007066	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-2H+Na"	20.974666
"1633713"	296.007066	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Na-2H"	20.974666
"101933"	292.013463	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M-H+Cl"	33.962126
"544773"	429.529663	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M-H+Cl"	33.962126
"940842"	154.497263	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-H+Cl"	33.962126
"276847"	585.034202	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+Cl"	34.969402
"661617"	860.066602	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+Cl"	34.969402
"1276208"	310.001802	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Cl"	34.969402
"18766"	587.013406	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M-2H+K"	36.948606
"458330"	862.045806	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M-2H+K"	36.948606
"842694"	311.981006	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-2H+K"	36.948606
"1571209"	311.981006	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+K-2H"	36.948606
"958449"	320.030594	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-H+HCOOH"	44.998194
"375570"	595.063001	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+HCOOH-H"	44.998201
"358722"	609.078651	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+Hac-H"	59.013851
"1507312"	334.046251	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Hac-H"	59.013851
"972548"	342.012551	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-H+NaCOOH"	66.980151
"125218"	310.001802	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+2Cl"	69.938804
"565144"	447.518002	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+2Cl"	69.938804
"1035648"	172.485602	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2Cl"	69.938804
"1255586"	353.951285	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Br"	78.918885
"1318032"	356.007272	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Cl+HCOOH"	80.974872
"1333707"	377.989229	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Cl+NaCOOH"	102.956829
"924401"	388.017986	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M-H+CF3COOH"	112.985586
"1302569"	423.994664	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Cl+CF3COOH"	148.962264
"1380364"	240.019724	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H-2H2O"	-35.012676
"1394944"	258.0297	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H-H2O"	-17.0027
"286249"	551.072076	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+H"	1.007276
"690713"	826.104476	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+H"	1.007276
"1366454"	276.039676	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H"	1.007276
"136304"	276.039676	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+2H"	2.014552
"575866"	413.555876	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+2H"	2.014552
"1047945"	138.523476	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2H"	2.014552
"210379"	184.362209333333	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+3H"	3.021828
"656865"	276.039676	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+3H"	3.021828
"1172437"	92.6847426666667	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+3H"	3.021828
"435711"	568.098623	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+NH4"	18.033823
"793425"	843.131023	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+NH4"	18.033823
"1681736"	293.066223	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+NH4"	18.033823
"331837"	284.5529495	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+H+NH4"	19.041099
"727174"	422.0691495	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+H+NH4"	19.041099
"1484274"	147.0367495	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H+NH4"	19.041099
"397486"	573.054018	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+Na"	22.989218
"762855"	848.086418	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+Na"	22.989218
"1608768"	298.021618	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Na"	22.989218
"318805"	287.030647	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+H+Na"	23.996494
"722534"	424.546847	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+H+Na"	23.996494
"1466149"	149.514447	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H+Na"	23.996494
"1060486"	100.012056666667	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2H+Na"	25.00377
"1266538"	308.065886	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+CH3OH+H"	33.033486
"385112"	589.027958	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+K"	38.963158
"742097"	864.060358	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+K"	38.963158
"1544881"	313.995558	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+K"	38.963158
"305340"	295.017617	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+H+K"	39.970434
"701040"	432.533817	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+H+K"	39.970434
"1450489"	157.501417	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H+K"	39.970434
"243464"	592.098626	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+ACN+H"	42.033826
"1216178"	317.066226	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+ACN+H"	42.033826
"1202249"	159.036751	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+ACN+2H"	43.041102
"197307"	595.03596	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+2Na-H"	44.97116
"636867"	870.06836	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+2Na-H"	44.97116
"1140375"	320.00356	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2Na-H"	44.97116
"179289"	298.021618	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+2Na"	45.978436
"623951"	435.537818	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+2Na"	45.978436
"1127821"	160.505418	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2Na"	45.978436
"1411712"	107.339370666667	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H+2Na"	46.985712
"1442372"	322.045146	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H+HCOOH"	47.012746
"234252"	303.05464	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+3H2O+2H"	56.04448
"1523691"	336.09719	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+IsoProp+H"	61.06479
"420904"	306.008588	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+Na+K"	61.952376
"784088"	443.524788	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+Na+K"	61.952376
"1677138"	168.492388	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Na+K"	61.952376
"265850"	614.080568	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+ACN+Na"	64.015768
"1240990"	339.048168	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+ACN+Na"	64.015768
"1727810"	339.071693	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+NH4+HCOOH"	64.039293
"1190612"	114.666684666667	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+3Na"	68.967654
"1655038"	344.027088	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Na+HCOOH"	68.994688
"160805"	626.98384	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+2K-H"	76.91904
"602551"	902.01624	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+2K-H"	76.91904
"1091438"	351.95144	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2K-H"	76.91904
"148256"	313.995558	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"2M+2K"	77.926316
"587813"	451.511758	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"3M+2K"	77.926316
"1072691"	176.479358	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2K"	77.926316
"1106628"	353.965992	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2K+H"	78.933592
"1340823"	354.053607	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+DMSO+H"	79.021207
"1008988"	358.092776	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2ACN+H"	83.060376
"1527478"	359.086408	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+IsoProp+Na+H"	84.054008
"992837"	179.550026	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+2ACN+2H"	84.067652
"1588795"	360.001028	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+K+HCOOH"	84.968628
"1417375"	390.032538	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+H+CF3COOH"	115.000138
"1152039"	200.063301	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+3ACN+2H"	125.094202
"1704875"	407.059085	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+NH4+CF3COOH"	132.026685
"1635057"	412.01448	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+Na+CF3COOH"	136.98208
"1572897"	427.98842	"C12022"	"Phosphophosphinate"	"C6H15NO7P2"	"275.0324"	"M+K+CF3COOH"	152.95602
"801589"	393.278	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M"	0
"974730"	374.25961	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-H2O-H"	-19.01839
"70511"	261.178057333333	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M-3H"	-3.021828
"512258"	392.270724	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M-3H"	-3.021828
"882410"	130.085390666667	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-3H"	-3.021828
"8638"	392.270724	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M-2H"	-2.014552
"452574"	588.909724	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M-2H"	-2.014552
"823814"	195.631724	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-2H"	-2.014552
"89272"	785.548724	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M-H"	-1.007276
"529926"	1178.826724	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M-H"	-1.007276
"901168"	392.270724	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-H"	-1.007276
"56637"	802.575271	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M-2H+NH4"	16.019271
"490731"	1195.853271	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M-2H+NH4"	16.019271
"872909"	409.297271	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-2H+NH4"	16.019271
"36436"	807.530666	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M-2H+Na"	20.974666
"483650"	1200.808666	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M-2H+Na"	20.974666
"860359"	414.252666	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-2H+Na"	20.974666
"1632078"	414.252666	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Na-2H"	20.974666
"99857"	410.259063	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M-H+Cl"	33.962126
"542697"	606.898063	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M-H+Cl"	33.962126
"940466"	213.620063	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-H+Cl"	33.962126
"278780"	821.525402	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+Cl"	34.969402
"660997"	1214.803402	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+Cl"	34.969402
"1273401"	428.247402	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Cl"	34.969402
"19970"	823.504606	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M-2H+K"	36.948606
"460627"	1216.782606	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M-2H+K"	36.948606
"846814"	430.226606	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-2H+K"	36.948606
"1570196"	430.226606	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+K-2H"	36.948606
"958200"	438.276194	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-H+HCOOH"	44.998194
"376288"	831.554201	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+HCOOH-H"	44.998201
"359198"	845.569851	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+Hac-H"	59.013851
"1506571"	452.291851	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Hac-H"	59.013851
"971926"	460.258151	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-H+NaCOOH"	66.980151
"123744"	428.247402	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+2Cl"	69.938804
"563670"	624.886402	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+2Cl"	69.938804
"1035387"	231.608402	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2Cl"	69.938804
"1253872"	472.196885	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Br"	78.918885
"1317414"	474.252872	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Cl+HCOOH"	80.974872
"1333817"	496.234829	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Cl+NaCOOH"	102.956829
"923781"	506.263586	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M-H+CF3COOH"	112.985586
"1302677"	542.240264	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Cl+CF3COOH"	148.962264
"1381202"	358.265324	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H-2H2O"	-35.012676
"1395782"	376.2753	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H-H2O"	-17.0027
"286358"	787.563276	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+H"	1.007276
"690823"	1180.841276	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+H"	1.007276
"1366321"	394.285276	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H"	1.007276
"135321"	394.285276	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+2H"	2.014552
"577066"	590.924276	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+2H"	2.014552
"1046962"	197.646276	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2H"	2.014552
"210489"	263.192609333333	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+3H"	3.021828
"655517"	394.285276	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+3H"	3.021828
"1170361"	132.099942666667	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+3H"	3.021828
"435821"	804.589823	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+NH4"	18.033823
"796816"	1197.867823	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+NH4"	18.033823
"1682089"	411.311823	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+NH4"	18.033823
"333770"	402.7985495	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+H+NH4"	19.041099
"727284"	599.4375495	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+H+NH4"	19.041099
"1486571"	206.1595495	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H+NH4"	19.041099
"397596"	809.545218	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+Na"	22.989218
"760778"	1202.823218	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+Na"	22.989218
"1609971"	416.267218	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Na"	22.989218
"320009"	405.276247	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+H+Na"	23.996494
"720093"	601.915247	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+H+Na"	23.996494
"1464070"	208.637247	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H+Na"	23.996494
"1060596"	139.427256666667	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2H+Na"	25.00377
"1264461"	426.311486	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+CH3OH+H"	33.033486
"384129"	825.519158	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+K"	38.963158
"744031"	1218.797158	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+K"	38.963158
"1544261"	432.241158	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+K"	38.963158
"303263"	413.263217	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+H+K"	39.970434
"700057"	609.902217	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+H+K"	39.970434
"1453879"	216.624217	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H+K"	39.970434
"244669"	828.589826	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+ACN+H"	42.033826
"1212642"	435.311826	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+ACN+H"	42.033826
"1199443"	218.159551	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+ACN+2H"	43.041102
"195230"	831.52716	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+2Na-H"	44.97116
"636977"	1224.80516	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+2Na-H"	44.97116
"1142671"	438.24916	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2Na-H"	44.97116
"178671"	416.267218	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+2Na"	45.978436
"620053"	612.906218	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+2Na"	45.978436
"1127568"	219.628218	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2Na"	45.978436
"1410364"	146.754570666667	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H+2Na"	46.985712
"1440295"	440.290746	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H+HCOOH"	47.012746
"229989"	421.30024	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+3H2O+2H"	56.04448
"1520966"	454.34279	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+IsoProp+H"	61.06479
"423204"	424.254188	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+Na+K"	61.952376
"784929"	620.893188	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+Na+K"	61.952376
"1676155"	227.615188	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Na+K"	61.952376
"263774"	850.571768	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+ACN+Na"	64.015768
"1238669"	457.293768	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+ACN+Na"	64.015768
"1727556"	457.317293	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+NH4+HCOOH"	64.039293
"1193274"	154.081884666667	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+3Na"	68.967654
"1655148"	462.272688	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Na+HCOOH"	68.994688
"160550"	863.47504	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+2K-H"	76.91904
"603755"	1256.75304	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+2K-H"	76.91904
"1090454"	470.19704	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2K-H"	76.91904
"147272"	432.241158	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"2M+2K"	77.926316
"586830"	628.880158	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"3M+2K"	77.926316
"1072437"	235.602158	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2K"	77.926316
"1101271"	472.211592	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2K+H"	78.933592
"1339114"	472.299207	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+DMSO+H"	79.021207
"1009462"	476.338376	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2ACN+H"	83.060376
"1525766"	477.332008	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+IsoProp+Na+H"	84.054008
"996227"	238.672826	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+2ACN+2H"	84.067652
"1589637"	478.246628	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+K+HCOOH"	84.968628
"1417485"	508.278138	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+H+CF3COOH"	115.000138
"1152148"	259.186101	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+3ACN+2H"	125.094202
"1698784"	525.304685	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+NH4+CF3COOH"	132.026685
"1635531"	530.26008	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+Na+CF3COOH"	136.98208
"1579568"	546.23402	"C12023"	"Undecylprodigiosin;2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole"	"C25H35N3O"	"393.278"	"M+K+CF3COOH"	152.95602
"802281"	1496.5368	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M"	0
"976053"	1477.51841	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-H2O-H"	-19.01839
"70621"	996.683924	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M-3H"	-3.021828
"512368"	1495.529524	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M-3H"	-3.021828
"882520"	497.838324	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-3H"	-3.021828
"8748"	1495.529524	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M-2H"	-2.014552
"451590"	2243.797924	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M-2H"	-2.014552
"823924"	747.261124	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-2H"	-2.014552
"86102"	2992.066324	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M-H"	-1.007276
"526755"	4488.603124	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M-H"	-1.007276
"904557"	1495.529524	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-H"	-1.007276
"56747"	3009.092871	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M-2H+NH4"	16.019271
"501655"	4505.629671	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M-2H+NH4"	16.019271
"871926"	1512.556071	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-2H+NH4"	16.019271
"36546"	3014.048266	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M-2H+Na"	20.974666
"482667"	4510.585066	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M-2H+Na"	20.974666
"858283"	1517.511466	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-2H+Na"	20.974666
"1630003"	1517.511466	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Na-2H"	20.974666
"103247"	1513.517863	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M-H+Cl"	33.962126
"542807"	2261.786263	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M-H+Cl"	33.962126
"941548"	765.249463	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-H+Cl"	33.962126
"279254"	3028.043002	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+Cl"	34.969402
"660296"	4524.579802	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+Cl"	34.969402
"1273509"	1531.506202	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Cl"	34.969402
"16229"	3030.022206	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M-2H+K"	36.948606
"456236"	4526.559006	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M-2H+K"	36.948606
"846197"	1533.485406	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-2H+K"	36.948606
"1570305"	1533.485406	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+K-2H"	36.948606
"957579"	1541.534994	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-H+HCOOH"	44.998194
"376155"	3038.071801	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+HCOOH-H"	44.998201
"360038"	3052.087451	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+Hac-H"	59.013851
"1505220"	1555.550651	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Hac-H"	59.013851
"971672"	1563.516951	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-H+NaCOOH"	66.980151
"121668"	1531.506202	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+2Cl"	69.938804
"562322"	2279.774602	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+2Cl"	69.938804
"1032944"	783.237802	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2Cl"	69.938804
"1252887"	1575.455685	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Br"	78.918885
"1317160"	1577.511672	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Cl+HCOOH"	80.974872
"1332835"	1599.493629	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Cl+NaCOOH"	102.956829
"923527"	1609.522386	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M-H+CF3COOH"	112.985586
"1301695"	1645.499064	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Cl+CF3COOH"	148.962264
"1380465"	1461.524124	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H-2H2O"	-35.012676
"1395531"	1479.5341	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H-H2O"	-17.0027
"289383"	2994.080876	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+H"	1.007276
"690811"	4490.617676	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+H"	1.007276
"1365096"	1497.544076	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H"	1.007276
"135431"	1497.544076	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+2H"	2.014552
"577176"	2245.812476	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+2H"	2.014552
"1047072"	749.275676	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2H"	2.014552
"213879"	998.698476	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+3H"	3.021828
"656722"	1497.544076	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+3H"	3.021828
"1175574"	499.852876	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+3H"	3.021828
"437025"	3011.107423	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+NH4"	18.033823
"799112"	4507.644223	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+NH4"	18.033823
"1691069"	1514.570623	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+NH4"	18.033823
"337160"	1506.0573495	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+H+NH4"	19.041099
"728488"	2254.3257495	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+H+NH4"	19.041099
"1486681"	757.7889495	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H+NH4"	19.041099
"398799"	3016.062818	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+Na"	22.989218
"760888"	4512.599618	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+Na"	22.989218
"1610081"	1519.526018	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Na"	22.989218
"320119"	1508.535047	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+H+Na"	23.996494
"720933"	2256.803447	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+H+Na"	23.996494
"1466369"	760.266647	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H+Na"	23.996494
"1062893"	507.18019	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2H+Na"	25.00377
"1267852"	1529.570286	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+CH3OH+H"	33.033486
"388613"	3032.036758	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+K"	38.963158
"751432"	4528.573558	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+K"	38.963158
"1544007"	1535.499958	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+K"	38.963158
"306653"	1516.522017	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+H+K"	39.970434
"700167"	2264.790417	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+H+K"	39.970434
"1453989"	768.253617	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H+K"	39.970434
"242591"	3035.107426	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+ACN+H"	42.033826
"1213482"	1538.570626	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+ACN+H"	42.033826
"1200283"	769.788951	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+ACN+2H"	43.041102
"198620"	3038.04476	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+2Na-H"	44.97116
"638181"	4534.58156	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+2Na-H"	44.97116
"1142053"	1541.50796	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2Na-H"	44.97116
"181333"	1519.526018	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+2Na"	45.978436
"622350"	2267.794418	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+2Na"	45.978436
"1128042"	771.257618	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2Na"	45.978436
"1410840"	514.507504	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H+2Na"	46.985712
"1442593"	1543.549546	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H+HCOOH"	47.012746
"230464"	1524.55904	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+3H2O+2H"	56.04448
"1519984"	1557.60159	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+IsoProp+H"	61.06479
"423315"	1527.512988	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+Na+K"	61.952376
"782488"	2275.781388	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+Na+K"	61.952376
"1676630"	779.244588	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Na+K"	61.952376
"264612"	3057.089368	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+ACN+Na"	64.015768
"1238051"	1560.552568	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+ACN+Na"	64.015768
"1727668"	1560.576093	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+NH4+HCOOH"	64.039293
"1193386"	521.834818	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+3Na"	68.967654
"1654165"	1565.531488	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Na+HCOOH"	68.994688
"161389"	3069.99264	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+2K-H"	76.91904
"603865"	4566.52944	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+2K-H"	76.91904
"1092751"	1573.45584	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2K-H"	76.91904
"147382"	1535.499958	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"2M+2K"	77.926316
"590221"	2283.768358	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"3M+2K"	77.926316
"1073641"	787.231558	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2K"	77.926316
"1102110"	1575.470392	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2K+H"	78.933592
"1339954"	1575.558007	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+DMSO+H"	79.021207
"1007389"	1579.597176	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2ACN+H"	83.060376
"1525514"	1580.590808	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+IsoProp+Na+H"	84.054008
"994149"	790.302226	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+2ACN+2H"	84.067652
"1589746"	1581.505428	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+K+HCOOH"	84.968628
"1417594"	1611.536938	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+H+CF3COOH"	115.000138
"1148609"	810.815501	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+3ACN+2H"	125.094202
"1699987"	1628.563485	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+NH4+CF3COOH"	132.026685
"1635641"	1633.51888	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+Na+CF3COOH"	136.98208
"1576398"	1649.49282	"C12024"	"Calcium-dependent antibiotic;CDA"	"C67H80N14O26"	"1496.5368"	"M+K+CF3COOH"	152.95602
"803485"	234.1216	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M"	0
"978109"	215.10321	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-H2O-H"	-19.01839
"71824"	155.073790666667	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M-3H"	-3.021828
"510290"	233.114324	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M-3H"	-3.021828
"885910"	77.0332573333333	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-3H"	-3.021828
"8858"	233.114324	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M-2H"	-2.014552
"452793"	350.175124	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M-2H"	-2.014552
"824034"	116.053524	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-2H"	-2.014552
"89492"	467.235924	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M-H"	-1.007276
"526865"	701.357524	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M-H"	-1.007276
"907947"	233.114324	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-H"	-1.007276
"56857"	484.262471	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M-2H+NH4"	16.019271
"499697"	718.384071	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M-2H+NH4"	16.019271
"873129"	250.140871	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-2H+NH4"	16.019271
"36656"	489.217866	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M-2H+Na"	20.974666
"483870"	723.339466	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M-2H+Na"	20.974666
"858392"	255.096266	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-2H+Na"	20.974666
"1632300"	255.096266	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Na-2H"	20.974666
"105543"	251.102663	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M-H+Cl"	33.962126
"546196"	368.163463	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M-H+Cl"	33.962126
"942712"	134.041863	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-H+Cl"	33.962126
"280457"	503.212602	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+Cl"	34.969402
"660363"	737.334202	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+Cl"	34.969402
"1273617"	269.091002	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Cl"	34.969402
"16173"	505.191806	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M-2H+K"	36.948606
"456468"	739.313406	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M-2H+K"	36.948606
"847035"	271.070206	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-2H+K"	36.948606
"1570540"	271.070206	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+K-2H"	36.948606
"957813"	279.119794	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-H+HCOOH"	44.998194
"374442"	513.241401	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+HCOOH-H"	44.998201
"359418"	527.257051	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+Hac-H"	59.013851
"1506427"	293.135451	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Hac-H"	59.013851
"972513"	301.101751	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-H+NaCOOH"	66.980151
"122509"	269.091002	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+2Cl"	69.938804
"560975"	386.151802	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+2Cl"	69.938804
"1034146"	152.030202	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2Cl"	69.938804
"1251540"	313.040485	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Br"	78.918885
"1317270"	315.096472	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Cl+HCOOH"	80.974872
"1332215"	337.078429	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Cl+NaCOOH"	102.956829
"924368"	347.107186	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M-H+CF3COOH"	112.985586
"1301075"	383.083864	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Cl+CF3COOH"	148.962264
"1380331"	199.108924	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H-2H2O"	-35.012676
"1395639"	217.1189	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H-H2O"	-17.0027
"290587"	469.250476	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+H"	1.007276
"688489"	703.372076	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+H"	1.007276
"1366835"	235.128876	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H"	1.007276
"137728"	235.128876	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+2H"	2.014552
"577286"	352.189676	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+2H"	2.014552
"1049369"	118.068076	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2H"	2.014552
"213989"	157.088342666667	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+3H"	3.021828
"655735"	235.128876	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+3H"	3.021828
"1176777"	79.0478093333333	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+3H"	3.021828
"437134"	486.277023	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+NH4"	18.033823
"800923"	720.398623	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+NH4"	18.033823
"1692273"	252.155423	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+NH4"	18.033823
"337270"	243.6421495	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+H+NH4"	19.041099
"730784"	360.7029495	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+H+NH4"	19.041099
"1487884"	126.5813495	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H+NH4"	19.041099
"398909"	491.232418	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+Na"	22.989218
"758811"	725.354018	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+Na"	22.989218
"1612377"	257.110818	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Na"	22.989218
"320229"	246.119847	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+H+Na"	23.996494
"722423"	363.180647	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+H+Na"	23.996494
"1469759"	129.059047	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H+Na"	23.996494
"1066283"	86.3751233333333	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2H+Na"	25.00377
"1267960"	267.155086	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+CH3OH+H"	33.033486
"387629"	507.206358	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+K"	38.963158
"747531"	741.327958	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+K"	38.963158
"1547398"	273.084758	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+K"	38.963158
"306763"	254.106817	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+H+K"	39.970434
"701370"	371.167617	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+H+K"	39.970434
"1456284"	137.046017	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H+K"	39.970434
"244886"	510.277026	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+ACN+H"	42.033826
"1217601"	276.155426	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+ACN+H"	42.033826
"1199295"	138.581351	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+ACN+2H"	43.041102
"199459"	513.21436	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+2Na-H"	44.97116
"637197"	747.33596	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+2Na-H"	44.97116
"1139611"	279.09276	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2Na-H"	44.97116
"179984"	257.110818	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+2Na"	45.978436
"620272"	374.171618	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+2Na"	45.978436
"1125964"	140.050018	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2Na"	45.978436
"1411313"	93.7024373333333	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H+2Na"	46.985712
"1443795"	281.134346	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H+HCOOH"	47.012746
"233854"	262.14384	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+3H2O+2H"	56.04448
"1519727"	295.18639	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+IsoProp+H"	61.06479
"417954"	265.097788	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+Na+K"	61.952376
"778950"	382.158588	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+Na+K"	61.952376
"1673094"	148.036988	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Na+K"	61.952376
"263628"	532.258968	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+ACN+Na"	64.015768
"1239254"	298.137368	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+ACN+Na"	64.015768
"1728320"	298.160893	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+NH4+HCOOH"	64.039293
"1193496"	101.029751333333	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+3Na"	68.967654
"1656461"	303.116288	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Na+HCOOH"	68.994688
"162591"	545.16224	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+2K-H"	76.91904
"603975"	779.28384	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+2K-H"	76.91904
"1090674"	311.04064	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2K-H"	76.91904
"147492"	273.084758	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"2M+2K"	77.926316
"590331"	390.145558	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"3M+2K"	77.926316
"1073750"	156.023958	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2K"	77.926316
"1102585"	313.055192	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2K+H"	78.933592
"1340064"	313.142807	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+DMSO+H"	79.021207
"1010048"	317.181976	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2ACN+H"	83.060376
"1527081"	318.175608	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+IsoProp+Na+H"	84.054008
"995353"	159.094626	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+2ACN+2H"	84.067652
"1589855"	319.090228	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+K+HCOOH"	84.968628
"1420984"	349.121738	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+H+CF3COOH"	115.000138
"1150177"	179.607901	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+3ACN+2H"	125.094202
"1697302"	366.148285	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+NH4+CF3COOH"	132.026685
"1636480"	371.10368	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+Na+CF3COOH"	136.98208
"1576508"	387.07762	"C12025"	"26-Diamino-7-hydroxy-azelaic acid"	"C9H18N2O5"	"234.1216"	"M+K+CF3COOH"	152.95602
"806877"	183.0532	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M"	0
"975184"	164.03481	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-H2O-H"	-19.01839
"70841"	121.028190666667	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M-3H"	-3.021828
"508214"	182.045924	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M-3H"	-3.021828
"886021"	60.0104573333333	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-3H"	-3.021828
"10062"	182.045924	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M-2H"	-2.014552
"451445"	273.572524	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M-2H"	-2.014552
"824144"	90.519324	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-2H"	-2.014552
"86323"	365.099124	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M-H"	-1.007276
"526975"	548.152324	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M-H"	-1.007276
"904777"	182.045924	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-H"	-1.007276
"56967"	382.125671	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M-2H+NH4"	16.019271
"499807"	565.178871	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M-2H+NH4"	16.019271
"866678"	199.072471	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-2H+NH4"	16.019271
"33485"	387.081066	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M-2H+Na"	20.974666
"477419"	570.134266	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M-2H+Na"	20.974666
"859595"	204.027866	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-2H+Na"	20.974666
"1630222"	204.027866	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Na-2H"	20.974666
"108935"	200.034263	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M-H+Cl"	33.962126
"548495"	291.560863	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M-H+Cl"	33.962126
"938730"	108.507663	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-H+Cl"	33.962126
"275102"	401.075802	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+Cl"	34.969402
"660148"	584.129002	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+Cl"	34.969402
"1273604"	218.022602	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Cl"	34.969402
"16076"	403.055006	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M-2H+K"	36.948606
"456214"	586.108206	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M-2H+K"	36.948606
"847508"	220.001806	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-2H+K"	36.948606
"1570285"	220.001806	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+K-2H"	36.948606
"958041"	228.051394	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-H+HCOOH"	44.998194
"375279"	411.104601	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+HCOOH-H"	44.998201
"360256"	425.120251	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+Hac-H"	59.013851
"1507264"	242.067051	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Hac-H"	59.013851
"972987"	250.033351	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-H+NaCOOH"	66.980151
"123350"	218.022602	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+2Cl"	69.938804
"562179"	309.549202	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+2Cl"	69.938804
"1036083"	126.496002	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2Cl"	69.938804
"1254203"	261.972085	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Br"	78.918885
"1319537"	264.028072	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Cl+HCOOH"	80.974872
"1334149"	286.010029	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Cl+NaCOOH"	102.956829
"924843"	296.038786	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M-H+CF3COOH"	112.985586
"1300090"	332.015464	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Cl+CF3COOH"	148.962264
"1380076"	148.040524	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H-2H2O"	-35.012676
"1392833"	166.0505	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H-H2O"	-17.0027
"289603"	367.113676	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+H"	1.007276
"679843"	550.166876	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+H"	1.007276
"1366649"	184.060476	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H"	1.007276
"133460"	184.060476	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+2H"	2.014552
"575210"	275.587076	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+2H"	2.014552
"1052558"	92.533876	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2H"	2.014552
"214099"	123.042742666667	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+3H"	3.021828
"654752"	184.060476	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+3H"	3.021828
"1176158"	62.0250093333333	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+3H"	3.021828
"436880"	384.140223	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+NH4"	18.033823
"799335"	567.193423	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+NH4"	18.033823
"1691290"	201.087023	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+NH4"	18.033823
"342485"	192.5737495	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+H+NH4"	19.041099
"730896"	284.1003495	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+H+NH4"	19.041099
"1480705"	101.0471495	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H+NH4"	19.041099
"402300"	389.095618	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+Na"	22.989218
"757828"	572.148818	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+Na"	22.989218
"1609207"	206.042418	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Na"	22.989218
"318148"	195.051447	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+H+Na"	23.996494
"722004"	286.578047	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+H+Na"	23.996494
"1472057"	103.524847	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H+Na"	23.996494
"1065300"	69.3523233333333	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2H+Na"	25.00377
"1266980"	216.086686	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+CH3OH+H"	33.033486
"386647"	405.069558	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+K"	38.963158
"749829"	588.122758	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+K"	38.963158
"1550790"	222.016358	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+K"	38.963158
"305781"	203.038417	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+H+K"	39.970434
"701480"	294.565017	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+H+K"	39.970434
"1449834"	111.511817	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H+K"	39.970434
"242808"	408.140226	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+ACN+H"	42.033826
"1214796"	225.087026	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+ACN+H"	42.033826
"1198312"	113.047151	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+ACN+2H"	43.041102
"189601"	411.07756	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+2Na-H"	44.97116
"635484"	594.13076	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+2Na-H"	44.97116
"1141908"	228.02436	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2Na-H"	44.97116
"180094"	206.042418	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+2Na"	45.978436
"620746"	297.569018	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+2Na"	45.978436
"1123887"	114.515818	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2Na"	45.978436
"1411057"	76.6796373333333	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H+2Na"	46.985712
"1443538"	230.065946	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H+HCOOH"	47.012746
"233597"	211.07544	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+3H2O+2H"	56.04448
"1517285"	244.11799	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+IsoProp+H"	61.06479
"418064"	214.029388	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+Na+K"	61.952376
"775780"	305.555988	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+Na+K"	61.952376
"1673204"	122.502788	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Na+K"	61.952376
"263738"	430.122168	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+ACN+Na"	64.015768
"1237177"	247.068968	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+ACN+Na"	64.015768
"1725698"	247.092493	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+NH4+HCOOH"	64.039293
"1192509"	84.0069513333333	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+3Na"	68.967654
"1654747"	252.047888	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Na+HCOOH"	68.994688
"162701"	443.02544	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+2K-H"	76.91904
"604085"	626.07864	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+2K-H"	76.91904
"1091877"	259.97224	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2K-H"	76.91904
"148695"	222.016358	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"2M+2K"	77.926316
"587163"	313.542958	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"3M+2K"	77.926316
"1072767"	130.489758	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2K"	77.926316
"1103787"	261.986792	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2K+H"	78.933592
"1339080"	262.074407	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+DMSO+H"	79.021207
"1011980"	266.113576	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2ACN+H"	83.060376
"1527920"	267.107208	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+IsoProp+Na+H"	84.054008
"993274"	133.560426	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+2ACN+2H"	84.067652
"1588871"	268.021828	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+K+HCOOH"	84.968628
"1420000"	298.053338	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+H+CF3COOH"	115.000138
"1150287"	154.073701	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+3ACN+2H"	125.094202
"1698020"	315.079885	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+NH4+CF3COOH"	132.026685
"1635860"	320.03528	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+Na+CF3COOH"	136.98208
"1576618"	336.00922	"C12026"	"35-Dihydroxy-phenylglycine;L-35-Dihydroxyphenylglycine;(S)-35-Dihydroxyphenylglycine"	"C8H9NO4"	"183.0532"	"M+K+CF3COOH"	152.95602
"801598"	215.1158	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M"	0
"974519"	196.09741	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-H2O-H"	-19.01839
"70951"	142.403257333333	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M-3H"	-3.021828
"509417"	214.108524	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M-3H"	-3.021828
"887224"	70.6979906666667	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-3H"	-3.021828
"11266"	214.108524	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M-2H"	-2.014552
"450827"	321.666424	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M-2H"	-2.014552
"824254"	106.550624	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-2H"	-2.014552
"86433"	429.224324	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M-H"	-1.007276
"527085"	644.340124	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M-H"	-1.007276
"904887"	214.108524	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-H"	-1.007276
"53797"	446.250871	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M-2H+NH4"	16.019271
"494450"	661.366671	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M-2H+NH4"	16.019271
"866788"	231.135071	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-2H+NH4"	16.019271
"33595"	451.206266	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M-2H+Na"	20.974666
"477529"	666.322066	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M-2H+Na"	20.974666
"860798"	236.090466	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-2H+Na"	20.974666
"1631425"	236.090466	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Na-2H"	20.974666
"108317"	232.096863	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M-H+Cl"	33.962126
"549092"	339.654763	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M-H+Cl"	33.962126
"938840"	124.538963	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-H+Cl"	33.962126
"279952"	465.201002	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+Cl"	34.969402
"661194"	680.316802	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+Cl"	34.969402
"1275661"	250.085202	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Cl"	34.969402
"16109"	467.180206	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M-2H+K"	36.948606
"456691"	682.296006	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M-2H+K"	36.948606
"839963"	252.064406	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-2H+K"	36.948606
"1570748"	252.064406	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+K-2H"	36.948606
"956810"	260.113994	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-H+HCOOH"	44.998194
"375022"	475.229801	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+HCOOH-H"	44.998201
"358904"	489.245451	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+Hac-H"	59.013851
"1506279"	274.129651	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Hac-H"	59.013851
"972004"	282.095951	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-H+NaCOOH"	66.980151
"122732"	250.085202	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+2Cl"	69.938804
"563384"	357.643102	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+2Cl"	69.938804
"1034367"	142.527302	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2Cl"	69.938804
"1254678"	294.034685	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Br"	78.918885
"1317491"	296.090672	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Cl+HCOOH"	80.974872
"1334989"	318.072629	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Cl+NaCOOH"	102.956829
"923492"	328.101386	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M-H+CF3COOH"	112.985586
"1301657"	364.078064	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Cl+CF3COOH"	148.962264
"1379091"	180.103124	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H-2H2O"	-35.012676
"1394401"	198.1131	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H-H2O"	-17.0027
"291900"	431.238876	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+H"	1.007276
"682140"	646.354676	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+H"	1.007276
"1363964"	216.123076	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H"	1.007276
"133570"	216.123076	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+2H"	2.014552
"574224"	323.680976	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+2H"	2.014552
"1043026"	108.565176	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2H"	2.014552
"207645"	144.417809333333	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+3H"	3.021828
"651582"	216.123076	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+3H"	3.021828
"1171894"	72.7125426666667	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+3H"	3.021828
"438086"	448.265423	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+NH4"	18.033823
"797259"	663.381223	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+NH4"	18.033823
"1690308"	233.149623	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+NH4"	18.033823
"338586"	224.6363495	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+H+NH4"	19.041099
"727725"	332.1942495	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+H+NH4"	19.041099
"1479358"	117.0784495	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H+NH4"	19.041099
"399130"	453.220818	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+Na"	22.989218
"757938"	668.336618	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+Na"	22.989218
"1607129"	238.105018	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Na"	22.989218
"319352"	227.114047	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+H+Na"	23.996494
"722723"	334.671947	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+H+Na"	23.996494
"1474353"	119.556147	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H+Na"	23.996494
"1066503"	80.0398566666667	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2H+Na"	25.00377
"1268183"	248.149286	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+CH3OH+H"	33.033486
"388943"	469.194758	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+K"	38.963158
"748845"	684.310558	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+K"	38.963158
"1550900"	254.078958	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+K"	38.963158
"308078"	235.101017	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+H+K"	39.970434
"701590"	342.658917	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+H+K"	39.970434
"1449944"	127.543117	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H+K"	39.970434
"239638"	472.265426	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+ACN+H"	42.033826
"1213444"	257.149626	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+ACN+H"	42.033826
"1198422"	129.078451	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+ACN+2H"	43.041102
"189138"	475.20276	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+2Na-H"	44.97116
"637415"	690.31856	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+2Na-H"	44.97116
"1142017"	260.08696	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2Na-H"	44.97116
"178381"	238.105018	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+2Na"	45.978436
"622678"	345.662918	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+2Na"	45.978436
"1122902"	130.547118	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2Na"	45.978436
"1407520"	87.3671706666667	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H+2Na"	46.985712
"1442189"	262.128546	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H+HCOOH"	47.012746
"231521"	243.13804	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+3H2O+2H"	56.04448
"1517395"	276.18059	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+IsoProp+H"	61.06479
"418174"	246.091988	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+Na+K"	61.952376
"778077"	353.649888	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+Na+K"	61.952376
"1668575"	138.534088	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Na+K"	61.952376
"257649"	494.247368	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+ACN+Na"	64.015768
"1234370"	279.131568	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+ACN+Na"	64.015768
"1722163"	279.155093	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+NH4+HCOOH"	64.039293
"1185693"	94.6944846666667	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+3Na"	68.967654
"1653395"	284.110488	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Na+HCOOH"	68.994688
"160987"	507.15064	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+2K-H"	76.91904
"602006"	722.26644	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+2K-H"	76.91904
"1090893"	292.03484	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2K-H"	76.91904
"143701"	254.078958	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"2M+2K"	77.926316
"581802"	361.636858	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"3M+2K"	77.926316
"1072873"	146.521058	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2K"	77.926316
"1104991"	294.049392	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2K+H"	78.933592
"1339552"	294.137007	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+DMSO+H"	79.021207
"1008811"	298.176176	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2ACN+H"	83.060376
"1530215"	299.169808	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+IsoProp+Na+H"	84.054008
"994478"	149.591726	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+2ACN+2H"	84.067652
"1588369"	300.084428	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+K+HCOOH"	84.968628
"1414681"	330.115938	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+H+CF3COOH"	115.000138
"1147153"	170.105001	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+3ACN+2H"	125.094202
"1697766"	347.142485	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+NH4+CF3COOH"	132.026685
"1635241"	352.09788	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+Na+CF3COOH"	136.98208
"1576728"	368.07182	"C12027"	"2-Amino-910-epoxy-8-oxodecanoic acid"	"C10H17NO4"	"215.1158"	"M+K+CF3COOH"	152.95602
"809285"	187.1208	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M"	0
"979536"	168.10241	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-H2O-H"	-19.01839
"71061"	123.739924	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M-3H"	-3.021828
"508434"	186.113524	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M-3H"	-3.021828
"886240"	61.366324	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-3H"	-3.021828
"8096"	186.113524	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M-2H"	-2.014552
"448749"	279.673924	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M-2H"	-2.014552
"825458"	92.553124	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-2H"	-2.014552
"78763"	373.234324	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M-H"	-1.007276
"527196"	560.355124	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M-H"	-1.007276
"901719"	186.113524	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-H"	-1.007276
"56094"	390.260871	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M-2H+NH4"	16.019271
"491280"	577.381671	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M-2H+NH4"	16.019271
"869087"	203.140071	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-2H+NH4"	16.019271
"33708"	395.216266	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M-2H+Na"	20.974666
"476549"	582.337066	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M-2H+Na"	20.974666
"852162"	208.095466	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-2H+Na"	20.974666
"1619508"	208.095466	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Na-2H"	20.974666
"98222"	204.101863	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M-H+Cl"	33.962126
"539969"	297.662263	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M-H+Cl"	33.962126
"932391"	110.541463	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-H+Cl"	33.962126
"274228"	409.211002	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+Cl"	34.969402
"660572"	596.331802	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+Cl"	34.969402
"1273338"	222.090202	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Cl"	34.969402
"20522"	411.190206	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M-2H+K"	36.948606
"458988"	598.311006	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M-2H+K"	36.948606
"834965"	224.069406	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-2H+K"	36.948606
"1571185"	224.069406	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+K-2H"	36.948606
"956916"	232.118994	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-H+HCOOH"	44.998194
"375868"	419.239801	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+HCOOH-H"	44.998201
"359021"	433.255451	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+Hac-H"	59.013851
"1506032"	246.134651	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Hac-H"	59.013851
"972114"	254.100951	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-H+NaCOOH"	66.980151
"122479"	222.090202	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+2Cl"	69.938804
"562038"	315.650602	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+2Cl"	69.938804
"1029378"	128.529802	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2Cl"	69.938804
"1253694"	266.039685	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Br"	78.918885
"1317600"	268.095672	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Cl+HCOOH"	80.974872
"1332910"	290.077629	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Cl+NaCOOH"	102.956829
"925426"	300.106386	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M-H+CF3COOH"	112.985586
"1300677"	336.083064	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Cl+CF3COOH"	148.962264
"1379202"	152.108124	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H-2H2O"	-35.012676
"1395972"	170.1181	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H-H2O"	-17.0027
"292011"	375.248876	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+H"	1.007276
"680065"	562.369676	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+H"	1.007276
"1364075"	188.128076	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H"	1.007276
"139151"	188.128076	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+2H"	2.014552
"574337"	281.688476	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+2H"	2.014552
"1046418"	94.567676	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2H"	2.014552
"216506"	125.754476	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+3H"	3.021828
"654972"	188.128076	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+3H"	3.021828
"1175289"	63.380876	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+3H"	3.021828
"437467"	392.275423	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+NH4"	18.033823
"799192"	579.396223	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+NH4"	18.033823
"1688232"	205.154623	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+NH4"	18.033823
"342710"	196.6413495	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+H+NH4"	19.041099
"732211"	290.2017495	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+H+NH4"	19.041099
"1486029"	103.0809495	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H+NH4"	19.041099
"402521"	397.230818	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+Na"	22.989218
"766796"	584.351618	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+Na"	22.989218
"1610519"	210.110018	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Na"	22.989218
"319462"	199.119047	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+H+Na"	23.996494
"722686"	292.679447	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+H+Na"	23.996494
"1474465"	105.558647	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H+Na"	23.996494
"1065524"	70.70819	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2H+Na"	25.00377
"1269387"	220.154286	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+CH3OH+H"	33.033486
"387962"	413.204758	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+K"	38.963158
"747863"	600.325558	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+K"	38.963158
"1549917"	226.083958	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+K"	38.963158
"306002"	207.106017	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+H+K"	39.970434
"699513"	300.666417	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+H+K"	39.970434
"1448960"	113.545617	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H+K"	39.970434
"236101"	416.275426	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+ACN+H"	42.033826
"1213554"	229.154626	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+ACN+H"	42.033826
"1198532"	115.080951	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+ACN+2H"	43.041102
"188844"	419.21276	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+2Na-H"	44.97116
"630965"	606.33356	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+2Na-H"	44.97116
"1136657"	232.09196	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2Na-H"	44.97116
"181407"	210.110018	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+2Na"	45.978436
"622790"	303.670418	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+2Na"	45.978436
"1120827"	116.549618	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2Na"	45.978436
"1406538"	78.035504	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H+2Na"	46.985712
"1438653"	234.133546	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H+HCOOH"	47.012746
"229442"	215.14304	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+3H2O+2H"	56.04448
"1518235"	248.18559	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+IsoProp+H"	61.06479
"419378"	218.096988	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+Na+K"	61.952376
"778187"	311.657388	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+Na+K"	61.952376
"1669414"	124.536588	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Na+K"	61.952376
"260678"	438.257368	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+ACN+Na"	64.015768
"1233752"	251.136568	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+ACN+Na"	64.015768
"1716076"	251.160093	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+NH4+HCOOH"	64.039293
"1184710"	85.362818	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+3Na"	68.967654
"1651323"	256.115488	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Na+HCOOH"	68.994688
"158183"	451.16064	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+2K-H"	76.91904
"599564"	638.28144	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+2K-H"	76.91904
"1086266"	264.03984	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2K-H"	76.91904
"143445"	226.083958	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"2M+2K"	77.926316
"586286"	319.644358	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"3M+2K"	77.926316
"1072983"	132.523558	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2K"	77.926316
"1105099"	266.054392	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2K+H"	78.933592
"1339296"	266.142007	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+DMSO+H"	79.021207
"1008555"	270.181176	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2ACN+H"	83.060376
"1525589"	271.174808	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+IsoProp+Na+H"	84.054008
"998962"	135.594226	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+2ACN+2H"	84.067652
"1587430"	272.089428	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+K+HCOOH"	84.968628
"1415847"	302.120938	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+H+CF3COOH"	115.000138
"1150517"	156.107501	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+3ACN+2H"	125.094202
"1701162"	319.147485	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+NH4+CF3COOH"	132.026685
"1635717"	324.10288	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+Na+CF3COOH"	136.98208
"1571614"	340.07682	"C12029"	"(E)-2-Butenyl-4-methyl-threonine;2-Butenyl-4-methylthreonine"	"C9H17NO3"	"187.1208"	"M+K+CF3COOH"	152.95602
"803925"	696.2086	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M"	0
"984022"	677.19021	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-H2O-H"	-19.01839
"66795"	463.131790666667	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M-3H"	-3.021828
"508550"	695.201324	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M-3H"	-3.021828
"880760"	231.062257333333	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-3H"	-3.021828
"2739"	695.201324	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M-2H"	-2.014552
"440961"	1043.305624	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M-2H"	-2.014552
"818157"	347.097024	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-2H"	-2.014552
"78833"	1391.409924	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M-H"	-1.007276
"519288"	2087.618524	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M-H"	-1.007276
"899644"	695.201324	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-H"	-1.007276
"47936"	1408.436471	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M-2H+NH4"	16.019271
"488480"	2104.645071	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M-2H+NH4"	16.019271
"868106"	712.227871	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-2H+NH4"	16.019271
"38192"	1413.391866	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M-2H+Na"	20.974666
"477751"	2109.600466	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M-2H+Na"	20.974666
"852273"	717.183266	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-2H+Na"	20.974666
"1618603"	717.183266	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Na-2H"	20.974666
"98332"	713.189663	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M-H+Cl"	33.962126
"543360"	1061.293963	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M-H+Cl"	33.962126
"932503"	365.085363	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-H+Cl"	33.962126
"268503"	1427.386602	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+Cl"	34.969402
"661656"	2123.595202	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+Cl"	34.969402
"1279170"	731.178002	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Cl"	34.969402
"21726"	1429.365806	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M-2H+K"	36.948606
"463473"	2125.574406	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M-2H+K"	36.948606
"847843"	733.157206	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-2H+K"	36.948606
"1570851"	733.157206	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+K-2H"	36.948606
"956666"	741.206794	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-H+HCOOH"	44.998194
"372691"	1437.415401	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+HCOOH-H"	44.998201
"355844"	1451.431051	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+Hac-H"	59.013851
"1506507"	755.222451	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Hac-H"	59.013851
"971863"	763.188751	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-H+NaCOOH"	66.980151
"122225"	731.178002	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+2Cl"	69.938804
"563607"	1079.282302	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+2Cl"	69.938804
"1033134"	383.073702	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2Cl"	69.938804
"1254168"	775.127485	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Br"	78.918885
"1317345"	777.183472	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Cl+HCOOH"	80.974872
"1332655"	799.165429	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Cl+NaCOOH"	102.956829
"923348"	809.194186	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M-H+CF3COOH"	112.985586
"1301880"	845.170864	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Cl+CF3COOH"	148.962264
"1380771"	661.195924	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H-2H2O"	-35.012676
"1388426"	679.2059	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H-H2O"	-17.0027
"286659"	1393.424476	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+H"	1.007276
"690999"	2089.633076	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+H"	1.007276
"1364185"	697.215876	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H"	1.007276
"140601"	697.215876	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+2H"	2.014552
"577729"	1045.320176	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+2H"	2.014552
"1043248"	349.111576	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2H"	2.014552
"215524"	465.146342666667	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+3H"	3.021828
"658856"	697.215876	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+3H"	3.021828
"1177222"	233.076809333333	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+3H"	3.021828
"438306"	1410.451023	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+NH4"	18.033823
"796386"	2106.659623	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+NH4"	18.033823
"1693812"	714.242423	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+NH4"	18.033823
"340995"	705.7291495	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+H+NH4"	19.041099
"734508"	1053.8334495	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+H+NH4"	19.041099
"1490152"	357.6248495	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H+NH4"	19.041099
"402633"	1415.406418	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+Na"	22.989218
"757065"	2111.615018	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+Na"	22.989218
"1607715"	719.197818	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Na"	22.989218
"327236"	708.206847	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+H+Na"	23.996494
"710915"	1056.311147	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+H+Na"	23.996494
"1465828"	360.102547	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H+Na"	23.996494
"1062352"	240.404123333333	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2H+Na"	25.00377
"1262938"	729.242086	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+CH3OH+H"	33.033486
"388073"	1431.380358	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+K"	38.963158
"744694"	2127.588958	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+K"	38.963158
"1543467"	735.171758	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+K"	38.963158
"303922"	716.193817	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+H+K"	39.970434
"696344"	1064.298117	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+H+K"	39.970434
"1447611"	368.089517	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H+K"	39.970434
"240959"	1434.451026	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+ACN+H"	42.033826
"1218043"	738.242426	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+ACN+H"	42.033826
"1199737"	369.624851	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+ACN+2H"	43.041102
"195161"	1437.38836	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+2Na-H"	44.97116
"637638"	2133.59696	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+2Na-H"	44.97116
"1139322"	741.17976	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2Na-H"	44.97116
"177873"	719.197818	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+2Na"	45.978436
"618161"	1067.302118	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+2Na"	45.978436
"1119844"	371.093518	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2Na"	45.978436
"1406648"	247.731437333333	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H+2Na"	46.985712
"1438762"	743.221346	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H+HCOOH"	47.012746
"222992"	724.23084	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+3H2O+2H"	56.04448
"1511053"	757.27339	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+IsoProp+H"	61.06479
"417301"	727.184788	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+Na+K"	61.952376
"776108"	1075.289088	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+Na+K"	61.952376
"1670258"	379.080488	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Na+K"	61.952376
"260059"	1456.432968	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+ACN+Na"	64.015768
"1229487"	760.224368	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+ACN+Na"	64.015768
"1718372"	760.247893	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+NH4+HCOOH"	64.039293
"1182635"	255.058751333333	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+3Na"	68.967654
"1653984"	765.203288	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Na+HCOOH"	68.994688
"157929"	1469.33624	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+2K-H"	76.91904
"597850"	2165.54484	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+2K-H"	76.91904
"1086741"	773.12764	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2K-H"	76.91904
"143921"	735.171758	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"2M+2K"	77.926316
"585665"	1083.276058	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"3M+2K"	77.926316
"1074187"	387.067458	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2K"	77.926316
"1106303"	775.142192	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2K+H"	78.933592
"1337582"	775.229807	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+DMSO+H"	79.021207
"1009393"	779.268976	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2ACN+H"	83.060376
"1526425"	780.262608	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+IsoProp+Na+H"	84.054008
"992511"	390.138126	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+2ACN+2H"	84.067652
"1588473"	781.177228	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+K+HCOOH"	84.968628
"1415230"	811.208738	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+H+CF3COOH"	115.000138
"1150627"	410.651401	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+3ACN+2H"	125.094202
"1704553"	828.235285	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+NH4+CF3COOH"	132.026685
"1639112"	833.19068	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+Na+CF3COOH"	136.98208
"1571724"	849.16462	"C12032"	"Clorobiocin;Chlorobiocin"	"C35H37ClN2O11"	"696.2086"	"M+K+CF3COOH"	152.95602
"814975"	180.0899	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M"	0
"985226"	161.07151	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-H2O-H"	-19.01839
"74563"	119.052657333333	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M-3H"	-3.021828
"513037"	179.082624	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M-3H"	-3.021828
"885370"	59.0226906666667	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-3H"	-3.021828
"9412"	179.082624	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M-2H"	-2.014552
"443503"	269.127574	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M-2H"	-2.014552
"821307"	89.037674	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-2H"	-2.014552
"78744"	359.172524	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M-H"	-1.007276
"531799"	539.262424	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M-H"	-1.007276
"904131"	179.082624	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-H"	-1.007276
"56318"	376.199071	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M-2H+NH4"	16.019271
"495884"	556.288971	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M-2H+NH4"	16.019271
"871497"	196.109171	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-2H+NH4"	16.019271
"36117"	381.154466	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M-2H+Na"	20.974666
"473611"	561.244366	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M-2H+Na"	20.974666
"851292"	201.064566	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-2H+Na"	20.974666
"1626292"	201.064566	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Na-2H"	20.974666
"100635"	197.070963	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M-H+Cl"	33.962126
"540195"	287.115913	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M-H+Cl"	33.962126
"935895"	107.026013	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-H+Cl"	33.962126
"270079"	395.149202	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+Cl"	34.969402
"660798"	575.239102	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+Cl"	34.969402
"1283657"	215.059302	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Cl"	34.969402
"28402"	397.128406	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M-2H+K"	36.948606
"470760"	577.218306	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M-2H+K"	36.948606
"846499"	217.038506	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-2H+K"	36.948606
"1570721"	217.038506	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+K-2H"	36.948606
"957389"	225.088094	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-H+HCOOH"	44.998194
"374991"	405.178001	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+HCOOH-H"	44.998201
"359611"	419.193651	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+Hac-H"	59.013851
"1506984"	239.103751	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Hac-H"	59.013851
"972701"	247.070051	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-H+NaCOOH"	66.980151
"120152"	215.059302	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+2Cl"	69.938804
"563357"	305.104252	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+2Cl"	69.938804
"1035801"	125.014352	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2Cl"	69.938804
"1254644"	259.008785	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Br"	78.918885
"1314904"	261.064772	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Cl+HCOOH"	80.974872
"1332039"	283.046729	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Cl+NaCOOH"	102.956829
"921275"	293.075486	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M-H+CF3COOH"	112.985586
"1303088"	329.052164	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Cl+CF3COOH"	148.962264
"1382613"	145.077224	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H-2H2O"	-35.012676
"1393642"	163.0872	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H-H2O"	-17.0027
"286770"	361.187076	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+H"	1.007276
"685758"	541.276976	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+H"	1.007276
"1366821"	181.097176	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H"	1.007276
"137180"	181.097176	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+2H"	2.014552
"575648"	271.142126	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+2H"	2.014552
"1052603"	91.052226	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2H"	2.014552
"218915"	121.067209333333	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+3H"	3.021828
"656287"	181.097176	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+3H"	3.021828
"1177334"	61.0372426666667	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+3H"	3.021828
"439149"	378.213623	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+NH4"	18.033823
"798685"	558.303523	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+NH4"	18.033823
"1695015"	198.123723	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+NH4"	18.033823
"344022"	189.6104495	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+H+NH4"	19.041099
"737861"	279.6553995	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+H+NH4"	19.041099
"1490626"	99.5654995	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H+NH4"	19.041099
"402742"	383.169018	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+Na"	22.989218
"761550"	563.258918	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+Na"	22.989218
"1610741"	203.079118	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Na"	22.989218
"329659"	192.088147	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+H+Na"	23.996494
"718679"	282.133097	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+H+Na"	23.996494
"1469219"	102.043197	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H+Na"	23.996494
"1064650"	68.3645566666667	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2H+Na"	25.00377
"1272285"	213.123386	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+CH3OH+H"	33.033486
"390370"	399.142958	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+K"	38.963158
"749178"	579.232858	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+K"	38.963158
"1545766"	219.053058	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+K"	38.963158
"306220"	200.075117	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+H+K"	39.970434
"695360"	290.120067	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+H+K"	39.970434
"1448086"	110.030167	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H+K"	39.970434
"243256"	402.213626	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+ACN+H"	42.033826
"1213777"	222.123726	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+ACN+H"	42.033826
"1199848"	111.565501	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+ACN+2H"	43.041102
"194907"	405.15096	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+2Na-H"	44.97116
"637748"	585.24086	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+2Na-H"	44.97116
"1136150"	225.06106	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2Na-H"	44.97116
"182354"	203.079118	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+2Na"	45.978436
"623010"	293.124068	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+2Na"	45.978436
"1127608"	113.034168	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2Na"	45.978436
"1410769"	75.6918706666667	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H+2Na"	46.985712
"1443250"	227.102646	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H+HCOOH"	47.012746
"232581"	208.11214	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+3H2O+2H"	56.04448
"1516630"	241.15469	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+IsoProp+H"	61.06479
"419598"	211.066088	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+Na+K"	61.952376
"777317"	301.111038	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+Na+K"	61.952376
"1674743"	121.021138	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Na+K"	61.952376
"264181"	424.195568	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+ACN+Na"	64.015768
"1236889"	244.105668	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+ACN+Na"	64.015768
"1719577"	244.129193	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+NH4+HCOOH"	64.039293
"1187121"	83.0191846666667	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+3Na"	68.967654
"1651180"	249.084588	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Na+HCOOH"	68.994688
"157678"	437.09884	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+2K-H"	76.91904
"597149"	617.18874	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+2K-H"	76.91904
"1086121"	257.00894	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2K-H"	76.91904
"142209"	219.053058	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"2M+2K"	77.926316
"582861"	309.098008	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"3M+2K"	77.926316
"1073206"	129.008108	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2K"	77.926316
"1101314"	259.023492	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2K+H"	78.933592
"1340615"	259.111107	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+DMSO+H"	79.021207
"1011334"	263.150276	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2ACN+H"	83.060376
"1528364"	264.143908	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+IsoProp+Na+H"	84.054008
"994085"	132.078776	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+2ACN+2H"	84.067652
"1595882"	265.058528	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+K+HCOOH"	84.968628
"1422639"	295.090038	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+H+CF3COOH"	115.000138
"1155113"	152.592051	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+3ACN+2H"	125.094202
"1704665"	312.116585	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+NH4+CF3COOH"	132.026685
"1649064"	317.07198	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+Na+CF3COOH"	136.98208
"1580341"	333.04592	"C12033"	"4-Aminophenylalanine;p-Aminophenylalanine"	"C9H12N2O2"	"180.0899"	"M+K+CF3COOH"	152.95602
"807427"	1790.5641	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M"	0
"984243"	1771.54571	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-H2O-H"	-19.01839
"69203"	1192.702124	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M-3H"	-3.021828
"516423"	1789.556824	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M-3H"	-3.021828
"889852"	595.847424	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-3H"	-3.021828
"11709"	1789.556824	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M-2H"	-2.014552
"452360"	2684.838874	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M-2H"	-2.014552
"826883"	894.274774	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-2H"	-2.014552
"91615"	3580.120924	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M-H"	-1.007276
"531180"	5370.685024	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M-H"	-1.007276
"904242"	1789.556824	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-H"	-1.007276
"56429"	3597.147471	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M-2H+NH4"	16.019271
"494900"	5387.711571	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M-2H+NH4"	16.019271
"871607"	1806.583371	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-2H+NH4"	16.019271
"39508"	3602.102866	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M-2H+Na"	20.974666
"477974"	5392.666966	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M-2H+Na"	20.974666
"856869"	1811.538766	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-2H+Na"	20.974666
"1626401"	1811.538766	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Na-2H"	20.974666
"104025"	1807.545163	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M-H+Cl"	33.962126
"540305"	2702.827213	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M-H+Cl"	33.962126
"938192"	912.263113	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-H+Cl"	33.962126
"270190"	3616.097602	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+Cl"	34.969402
"663704"	5406.661702	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+Cl"	34.969402
"1283403"	1825.533502	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Cl"	34.969402
"30335"	3618.076806	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M-2H+K"	36.948606
"471247"	5408.640906	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M-2H+K"	36.948606
"847702"	1827.512706	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-2H+K"	36.948606
"1570096"	1827.512706	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+K-2H"	36.948606
"956524"	1835.562294	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-H+HCOOH"	44.998194
"373279"	3626.126401	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+HCOOH-H"	44.998201
"357535"	3640.142051	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+Hac-H"	59.013851
"1504541"	1849.577951	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Hac-H"	59.013851
"970986"	1857.544251	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-H+NaCOOH"	66.980151
"116982"	1825.533502	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+2Cl"	69.938804
"561640"	2720.815552	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+2Cl"	69.938804
"1033353"	930.251452	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2Cl"	69.938804
"1252931"	1869.482985	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Br"	78.918885
"1318296"	1871.538972	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Cl+HCOOH"	80.974872
"1334702"	1893.520929	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Cl+NaCOOH"	102.956829
"924298"	1903.549686	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M-H+CF3COOH"	112.985586
"1302831"	1939.526364	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Cl+CF3COOH"	148.962264
"1379533"	1755.551424	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H-2H2O"	-35.012676
"1390468"	1773.5614	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H-H2O"	-17.0027
"285788"	3582.135476	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+H"	1.007276
"682586"	5372.699576	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+H"	1.007276
"1362215"	1791.571376	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H"	1.007276
"134010"	1791.571376	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+2H"	2.014552
"569196"	2686.853426	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+2H"	2.014552
"1039089"	896.289326	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2H"	2.014552
"218661"	1194.716676	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+3H"	3.021828
"656397"	1791.571376	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+3H"	3.021828
"1176712"	597.861976	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+3H"	3.021828
"436705"	3599.162023	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+NH4"	18.033823
"797700"	5389.726123	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+NH4"	18.033823
"1689656"	1808.597923	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+NH4"	18.033823
"337932"	1800.0846495	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+H+NH4"	19.041099
"725614"	2695.3666995	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+H+NH4"	19.041099
"1478704"	904.8025995	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H+NH4"	19.041099
"396289"	3604.117418	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+Na"	22.989218
"761658"	5394.681518	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+Na"	22.989218
"1608660"	1813.553318	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Na"	22.989218
"325266"	1802.562347	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+H+Na"	23.996494
"718790"	2697.844397	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+H+Na"	23.996494
"1474796"	907.280297	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H+Na"	23.996494
"1061480"	605.18929	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2H+Na"	25.00377
"1270811"	1823.597586	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+CH3OH+H"	33.033486
"390480"	3620.091358	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+K"	38.963158
"750381"	5410.655458	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+K"	38.963158
"1548063"	1829.527258	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+K"	38.963158
"309611"	1810.549317	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+H+K"	39.970434
"700938"	2705.831367	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+H+K"	39.970434
"1452571"	915.267267	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H+K"	39.970434
"242273"	3623.162026	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+ACN+H"	42.033826
"1219355"	1832.597926	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+ACN+H"	42.033826
"1202144"	916.802601	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+ACN+2H"	43.041102
"195017"	3626.09936	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+2Na-H"	44.97116
"638951"	5416.66346	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+2Na-H"	44.97116
"1143550"	1835.53526	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2Na-H"	44.97116
"185747"	1813.553318	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+2Na"	45.978436
"626040"	2708.835368	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+2Na"	45.978436
"1129180"	918.271268	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2Na"	45.978436
"1412583"	612.516604	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H+2Na"	46.985712
"1443726"	1837.576846	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H+HCOOH"	47.012746
"231961"	1818.58634	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+3H2O+2H"	56.04448
"1520022"	1851.62889	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+IsoProp+H"	61.06479
"420802"	1821.540288	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+Na+K"	61.952376
"775240"	2716.822338	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+Na+K"	61.952376
"1674853"	926.258238	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Na+K"	61.952376
"264291"	3645.143968	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+ACN+Na"	64.015768
"1235906"	1854.579868	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+ACN+Na"	64.015768
"1719687"	1854.603393	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+NH4+HCOOH"	64.039293
"1187231"	619.843918	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+3Na"	68.967654
"1650682"	1859.558788	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Na+HCOOH"	68.994688
"157666"	3658.04724	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+2K-H"	76.91904
"598679"	5448.61134	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+2K-H"	76.91904
"1087324"	1867.48314	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2K-H"	76.91904
"144140"	1829.527258	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"2M+2K"	77.926316
"586981"	2724.809308	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"3M+2K"	77.926316
"1073317"	934.245208	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2K"	77.926316
"1105429"	1869.497692	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2K+H"	78.933592
"1340722"	1869.585307	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+DMSO+H"	79.021207
"1009617"	1873.624476	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2ACN+H"	83.060376
"1527743"	1874.618108	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+IsoProp+Na+H"	84.054008
"994922"	937.315876	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+2ACN+2H"	84.067652
"1594899"	1875.532728	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+K+HCOOH"	84.968628
"1419469"	1905.564238	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+H+CF3COOH"	115.000138
"1153037"	957.829151	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+3ACN+2H"	125.094202
"1706962"	1922.590785	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+NH4+CF3COOH"	132.026685
"1648081"	1927.54618	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+Na+CF3COOH"	136.98208
"1580451"	1943.52012	"C12034"	"Chlorobiphenyl-chloroeremomycin;LY333328;Oritavancin"	"C86H97Cl3N10O26"	"1790.5641"	"M+K+CF3COOH"	152.95602
"804257"	1647.4695	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M"	0
"985446"	1628.45111	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-H2O-H"	-19.01839
"69313"	1097.305724	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M-3H"	-3.021828
"518481"	1646.462224	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M-3H"	-3.021828
"892148"	548.149224	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-3H"	-3.021828
"9631"	1646.462224	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M-2H"	-2.014552
"447003"	2470.196974	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M-2H"	-2.014552
"824806"	822.727474	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-2H"	-2.014552
"90264"	3293.931724	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M-H"	-1.007276
"531290"	4941.401224	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M-H"	-1.007276
"904352"	1646.462224	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-H"	-1.007276
"56539"	3310.958271	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M-2H+NH4"	16.019271
"495010"	4958.427771	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M-2H+NH4"	16.019271
"870624"	1663.488771	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-2H+NH4"	16.019271
"38524"	3315.913666	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M-2H+Na"	20.974666
"475896"	4963.383166	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M-2H+Na"	20.974666
"859164"	1668.444166	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-2H+Na"	20.974666
"1625420"	1668.444166	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Na-2H"	20.974666
"100855"	1664.450563	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M-H+Cl"	33.962126
"537135"	2488.185313	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M-H+Cl"	33.962126
"933929"	840.715813	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-H+Cl"	33.962126
"274674"	3329.908402	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+Cl"	34.969402
"662720"	4977.377902	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+Cl"	34.969402
"1284241"	1682.438902	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Cl"	34.969402
"30081"	3331.887606	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M-2H+K"	36.948606
"471019"	4979.357106	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M-2H+K"	36.948606
"847084"	1684.418106	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-2H+K"	36.948606
"1569477"	1684.418106	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+K-2H"	36.948606
"956636"	1692.467694	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-H+HCOOH"	44.998194
"371210"	3339.937201	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+HCOOH-H"	44.998201
"356915"	3353.952851	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+Hac-H"	59.013851
"1505381"	1706.483351	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Hac-H"	59.013851
"970009"	1714.449651	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-H+NaCOOH"	66.980151
"121100"	1682.438902	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+2Cl"	69.938804
"562846"	2506.173652	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+2Cl"	69.938804
"1032006"	858.704152	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2Cl"	69.938804
"1250490"	1726.388385	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Br"	78.918885
"1312937"	1728.444372	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Cl+HCOOH"	80.974872
"1329341"	1750.426329	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Cl+NaCOOH"	102.956829
"921492"	1760.455086	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M-H+CF3COOH"	112.985586
"1299294"	1796.431764	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Cl+CF3COOH"	148.962264
"1376362"	1612.456824	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H-2H2O"	-35.012676
"1390580"	1630.4668	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H-H2O"	-17.0027
"286257"	3295.946276	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+H"	1.007276
"681595"	4943.415776	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+H"	1.007276
"1355756"	1648.476776	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H"	1.007276
"134120"	1648.476776	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+2H"	2.014552
"569306"	2472.211526	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+2H"	2.014552
"1040292"	824.742026	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2H"	2.014552
"218407"	1099.320276	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+3H"	3.021828
"656507"	1648.476776	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+3H"	3.021828
"1174635"	550.163776	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+3H"	3.021828
"435720"	3312.972823	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+NH4"	18.033823
"795623"	4960.442323	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+NH4"	18.033823
"1691952"	1665.503323	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+NH4"	18.033823
"338042"	1656.9900495	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+H+NH4"	19.041099
"726453"	2480.7247995	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+H+NH4"	19.041099
"1480272"	833.2552995	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H+NH4"	19.041099
"394212"	3317.928218	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+Na"	22.989218
"759581"	4965.397718	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+Na"	22.989218
"1607677"	1670.458718	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Na"	22.989218
"322096"	1659.467747	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+H+Na"	23.996494
"717807"	2483.202497	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+H+Na"	23.996494
"1473813"	835.732997	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H+Na"	23.996494
"1063777"	557.49109	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2H+Na"	25.00377
"1271286"	1680.502986	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+CH3OH+H"	33.033486
"388404"	3333.902158	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+K"	38.963158
"748305"	4981.371658	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+K"	38.963158
"1547081"	1686.432658	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+K"	38.963158
"309721"	1667.454717	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+H+K"	39.970434
"699956"	2491.189467	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+H+K"	39.970434
"1451588"	843.719967	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H+K"	39.970434
"242383"	3336.972826	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+ACN+H"	42.033826
"1220558"	1689.503326	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+ACN+H"	42.033826
"1202254"	845.255301	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+ACN+2H"	43.041102
"197314"	3339.91016	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+2Na-H"	44.97116
"641248"	4987.37966	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+2Na-H"	44.97116
"1141473"	1692.44066	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2Na-H"	44.97116
"186588"	1670.458718	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+2Na"	45.978436
"626149"	2494.193468	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+2Na"	45.978436
"1130018"	846.723968	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2Na"	45.978436
"1412447"	564.818404	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H+2Na"	46.985712
"1444198"	1694.482246	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H+HCOOH"	47.012746
"233165"	1675.49174	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+3H2O+2H"	56.04448
"1521592"	1708.53429	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+IsoProp+H"	61.06479
"420912"	1678.445688	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+Na+K"	61.952376
"782641"	2502.180438	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+Na+K"	61.952376
"1678245"	854.710938	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Na+K"	61.952376
"262579"	3358.954768	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+ACN+Na"	64.015768
"1236380"	1711.485268	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+ACN+Na"	64.015768
"1719797"	1711.508793	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+NH4+HCOOH"	64.039293
"1187342"	572.145718	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+3Na"	68.967654
"1655047"	1716.464188	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Na+HCOOH"	68.994688
"158382"	3371.85804	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+2K-H"	76.91904
"597857"	5019.32754	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+2K-H"	76.91904
"1085366"	1724.38854	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2K-H"	76.91904
"144978"	1686.432658	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"2M+2K"	77.926316
"587092"	2510.167408	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"3M+2K"	77.926316
"1072333"	862.697908	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2K"	77.926316
"1103353"	1726.403092	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2K+H"	78.933592
"1337917"	1726.490707	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+DMSO+H"	79.021207
"1009363"	1730.529876	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2ACN+H"	83.060376
"1526759"	1731.523508	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+IsoProp+Na+H"	84.054008
"992845"	865.768576	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+2ACN+2H"	84.067652
"1596102"	1732.438128	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+K+HCOOH"	84.968628
"1417392"	1762.469638	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+H+CF3COOH"	115.000138
"1154240"	886.281851	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+3ACN+2H"	125.094202
"1703792"	1779.496185	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+NH4+CF3COOH"	132.026685
"1647098"	1784.45158	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+Na+CF3COOH"	136.98208
"1580561"	1800.42552	"C12035"	"Chlorobiphenyl-vancomycin"	"C79H84Cl3N9O24"	"1647.4695"	"M+K+CF3COOH"	152.95602
"801585"	1520.3698	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M"	0
"982276"	1501.35141	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-H2O-H"	-19.01839
"67236"	1012.57259066667	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M-3H"	-3.021828
"517371"	1519.362524	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M-3H"	-3.021828
"891162"	505.782657333333	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-3H"	-3.021828
"10834"	1519.362524	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M-2H"	-2.014552
"447113"	2279.547424	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M-2H"	-2.014552
"824916"	759.177624	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-2H"	-2.014552
"90010"	3039.732324	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M-H"	-1.007276
"531764"	4560.102124	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M-H"	-1.007276
"903369"	1519.362524	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-H"	-1.007276
"55556"	3056.758871	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M-2H+NH4"	16.019271
"496213"	4577.128671	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M-2H+NH4"	16.019271
"870734"	1536.389071	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-2H+NH4"	16.019271
"39727"	3061.714266	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M-2H+Na"	20.974666
"476006"	4582.084066	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M-2H+Na"	20.974666
"859274"	1541.344466	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-2H+Na"	20.974666
"1626623"	1541.344466	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Na-2H"	20.974666
"99871"	1537.350863	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M-H+Cl"	33.962126
"537245"	2297.535763	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M-H+Cl"	33.962126
"931852"	777.165963	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-H+Cl"	33.962126
"273691"	3075.709002	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+Cl"	34.969402
"666109"	4596.078802	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+Cl"	34.969402
"1284351"	1555.339202	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Cl"	34.969402
"30925"	3077.688206	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M-2H+K"	36.948606
"471138"	4598.058006	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M-2H+K"	36.948606
"847559"	1557.318406	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-2H+K"	36.948606
"1569219"	1557.318406	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+K-2H"	36.948606
"957472"	1565.367994	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-H+HCOOH"	44.998194
"374599"	3085.737801	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+HCOOH-H"	44.998201
"358848"	3099.753451	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+Hac-H"	59.013851
"1504032"	1579.383651	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Hac-H"	59.013851
"971574"	1587.349951	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-H+NaCOOH"	66.980151
"123396"	1555.339202	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+2Cl"	69.938804
"562955"	2315.524102	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+2Cl"	69.938804
"1031752"	795.154302	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2Cl"	69.938804
"1250600"	1599.288685	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Br"	78.918885
"1311954"	1601.344672	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Cl+HCOOH"	80.974872
"1327264"	1623.326629	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Cl+NaCOOH"	102.956829
"921602"	1633.355386	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M-H+CF3COOH"	112.985586
"1297217"	1669.332064	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Cl+CF3COOH"	148.962264
"1378294"	1485.357124	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H-2H2O"	-35.012676
"1389596"	1503.3671	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H-H2O"	-17.0027
"288189"	3041.746876	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+H"	1.007276
"678426"	4562.116676	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+H"	1.007276
"1355866"	1521.377076	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H"	1.007276
"134230"	1521.377076	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+2H"	2.014552
"569416"	2281.561976	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+2H"	2.014552
"1037971"	761.192176	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2H"	2.014552
"217788"	1014.58714266667	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+3H"	3.021828
"655524"	1521.377076	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+3H"	3.021828
"1174745"	507.797209333333	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+3H"	3.021828
"435829"	3058.773423	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+NH4"	18.033823
"795733"	4579.143223	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+NH4"	18.033823
"1689876"	1538.403623	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+NH4"	18.033823
"337059"	1529.8903495	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+H+NH4"	19.041099
"726927"	2290.0752495	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+H+NH4"	19.041099
"1478924"	769.7054495	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H+NH4"	19.041099
"394685"	3063.728818	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+Na"	22.989218
"759691"	4584.098618	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+Na"	22.989218
"1607787"	1543.359018	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Na"	22.989218
"323299"	1532.368047	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+H+Na"	23.996494
"716821"	2292.552947	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+H+Na"	23.996494
"1473920"	772.183147	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H+Na"	23.996494
"1066438"	515.124523333333	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2H+Na"	25.00377
"1266657"	1553.403286	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+CH3OH+H"	33.033486
"384138"	3079.702758	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+K"	38.963158
"750237"	4600.072558	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+K"	38.963158
"1548278"	1559.332958	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+K"	38.963158
"299256"	1540.355017	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+H+K"	39.970434
"696784"	2300.539917	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+H+K"	39.970434
"1449509"	780.170117	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H+K"	39.970434
"240306"	3082.773426	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+ACN+H"	42.033826
"1213013"	1562.403626	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+ACN+H"	42.033826
"1196528"	781.705451	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+ACN+2H"	43.041102
"202164"	3085.71076	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+2Na-H"	44.97116
"641359"	4606.08056	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+2Na-H"	44.97116
"1141583"	1565.34096	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2Na-H"	44.97116
"181592"	1543.359018	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+2Na"	45.978436
"625528"	2303.543918	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+2Na"	45.978436
"1129762"	783.174118	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2Na"	45.978436
"1411463"	522.451837333333	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H+2Na"	46.985712
"1444307"	1567.382546	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H+HCOOH"	47.012746
"233277"	1548.39204	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+3H2O+2H"	56.04448
"1521701"	1581.43459	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+IsoProp+H"	61.06479
"419929"	1551.345988	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+Na+K"	61.952376
"779832"	2311.530888	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+Na+K"	61.952376
"1673980"	791.161088	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Na+K"	61.952376
"259407"	3104.755368	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+ACN+Na"	64.015768
"1232114"	1584.385568	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+ACN+Na"	64.015768
"1716626"	1584.409093	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+NH4+HCOOH"	64.039293
"1189639"	529.779151333333	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+3Na"	68.967654
"1655157"	1589.364488	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Na+HCOOH"	68.994688
"159586"	3117.65864	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+2K-H"	76.91904
"597684"	4638.02844	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+2K-H"	76.91904
"1084990"	1597.28884	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2K-H"	76.91904
"142778"	1559.332958	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"2M+2K"	77.926316
"583557"	2319.517858	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"3M+2K"	77.926316
"1071349"	799.148058	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2K"	77.926316
"1102368"	1599.303392	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2K+H"	78.933592
"1337663"	1599.391007	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+DMSO+H"	79.021207
"1008379"	1603.430176	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2ACN+H"	83.060376
"1526139"	1604.423808	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+IsoProp+Na+H"	84.054008
"994048"	802.218726	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+2ACN+2H"	84.067652
"1596212"	1605.338428	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+K+HCOOH"	84.968628
"1418595"	1635.369938	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+H+CF3COOH"	115.000138
"1154350"	822.732001	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+3ACN+2H"	125.094202
"1703902"	1652.396485	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+NH4+CF3COOH"	132.026685
"1647208"	1657.35188	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+Na+CF3COOH"	136.98208
"1580671"	1673.32582	"C12036"	"Chlorobiphenyl-desleucyl-vancomycin"	"C72H71Cl3N8O23"	"1520.3698"	"M+K+CF3COOH"	152.95602
"807757"	324.0602	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M"	0
"982386"	305.04181	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-H2O-H"	-19.01839
"66253"	215.032857333333	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M-3H"	-3.021828
"517121"	323.052924	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M-3H"	-3.021828
"894310"	107.012790666667	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-3H"	-3.021828
"7664"	323.052924	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M-2H"	-2.014552
"450503"	485.083024	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M-2H"	-2.014552
"825026"	161.022824	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-2H"	-2.014552
"91579"	647.113124	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M-H"	-1.007276
"529323"	971.173324	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M-H"	-1.007276
"904571"	323.052924	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-H"	-1.007276
"57853"	664.139671	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M-2H+NH4"	16.019271
"495230"	988.199871	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M-2H+NH4"	16.019271
"867563"	340.079471	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-2H+NH4"	16.019271
"35463"	669.095066	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M-2H+Na"	20.974666
"475021"	993.155266	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M-2H+Na"	20.974666
"855010"	345.034866	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-2H+Na"	20.974666
"1626732"	345.034866	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Na-2H"	20.974666
"99981"	341.041263	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M-H+Cl"	33.962126
"539541"	503.071363	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M-H+Cl"	33.962126
"935242"	179.011163	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-H+Cl"	33.962126
"272705"	683.089802	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+Cl"	34.969402
"666219"	1007.150002	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+Cl"	34.969402
"1284461"	359.029602	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Cl"	34.969402
"29937"	685.069006	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M-2H+K"	36.948606
"470590"	1009.129206	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M-2H+K"	36.948606
"845116"	361.008806	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-2H+K"	36.948606
"1568600"	361.008806	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+K-2H"	36.948606
"956489"	369.058394	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-H+HCOOH"	44.998194
"374705"	693.118601	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+HCOOH-H"	44.998201
"358594"	707.134251	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+Hac-H"	59.013851
"1504872"	383.074051	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Hac-H"	59.013851
"970955"	391.040351	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-H+NaCOOH"	66.980151
"123870"	359.029602	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+2Cl"	69.938804
"562701"	521.059702	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+2Cl"	69.938804
"1034050"	196.999502	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2Cl"	69.938804
"1249617"	402.979085	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Br"	78.918885
"1310971"	405.035072	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Cl+HCOOH"	80.974872
"1329560"	427.017029	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Cl+NaCOOH"	102.956829
"924264"	437.045786	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M-H+CF3COOH"	112.985586
"1299514"	473.022464	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Cl+CF3COOH"	148.962264
"1379863"	289.047524	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H-2H2O"	-35.012676
"1389706"	307.0575	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H-H2O"	-17.0027
"289392"	649.127676	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+H"	1.007276
"678536"	973.187876	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+H"	1.007276
"1355977"	325.067476	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H"	1.007276
"131051"	325.067476	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+2H"	2.014552
"569526"	487.097576	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+2H"	2.014552
"1039419"	163.037376	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2H"	2.014552
"216077"	217.047409333333	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+3H"	3.021828
"656728"	325.067476	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+3H"	3.021828
"1174855"	109.027342666667	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+3H"	3.021828
"437034"	666.154223	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+NH4"	18.033823
"795843"	990.214423	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+NH4"	18.033823
"1688893"	342.094023	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+NH4"	18.033823
"333889"	333.5807495	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+H+NH4"	19.041099
"725944"	495.6108495	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+H+NH4"	19.041099
"1481221"	171.5506495	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H+NH4"	19.041099
"394431"	671.109618	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+Na"	22.989218
"757613"	995.169818	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+Na"	22.989218
"1607897"	347.049418	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Na"	22.989218
"321223"	336.058447	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+H+Na"	23.996494
"715837"	498.088547	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+H+Na"	23.996494
"1475368"	174.028347	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H+Na"	23.996494
"1065455"	116.354656666667	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2H+Na"	25.00377
"1266767"	357.093686	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+CH3OH+H"	33.033486
"385341"	687.083558	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+K"	38.963158
"749617"	1011.143758	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+K"	38.963158
"1548388"	363.023358	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+K"	38.963158
"299365"	344.045417	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+H+K"	39.970434
"696894"	506.075517	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+H+K"	39.970434
"1448526"	182.015317	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H+K"	39.970434
"241510"	690.154226	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+ACN+H"	42.033826
"1214216"	366.094026	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+ACN+H"	42.033826
"1196274"	183.550651	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+ACN+2H"	43.041102
"201545"	693.09156	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+2Na-H"	44.97116
"641472"	1017.15176	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+2Na-H"	44.97116
"1141693"	369.03136	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2Na-H"	44.97116
"181702"	347.049418	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+2Na"	45.978436
"625273"	509.079518	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+2Na"	45.978436
"1128779"	185.019318	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2Na"	45.978436
"1411574"	123.681970666667	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H+2Na"	46.985712
"1441138"	371.072946	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H+HCOOH"	47.012746
"234117"	352.08244	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+3H2O+2H"	56.04448
"1519260"	385.12499	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+IsoProp+H"	61.06479
"420768"	355.036388	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+Na+K"	61.952376
"779942"	517.066488	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+Na+K"	61.952376
"1674090"	193.006288	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Na+K"	61.952376
"258424"	712.136168	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+ACN+Na"	64.015768
"1232225"	388.075968	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+ACN+Na"	64.015768
"1717830"	388.099493	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+NH4+HCOOH"	64.039293
"1188657"	131.009284666667	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+3Na"	68.967654
"1655267"	393.054888	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Na+HCOOH"	68.994688
"159576"	725.03944	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+2K-H"	76.91904
"597551"	1049.09964	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+2K-H"	76.91904
"1086197"	400.97924	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2K-H"	76.91904
"142647"	363.023358	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"2M+2K"	77.926316
"583667"	525.053458	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"3M+2K"	77.926316
"1071459"	200.993258	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2K"	77.926316
"1103572"	402.993792	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2K+H"	78.933592
"1337405"	403.081407	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+DMSO+H"	79.021207
"1008849"	407.120576	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2ACN+H"	83.060376
"1526615"	408.114208	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+IsoProp+Na+H"	84.054008
"991973"	204.063926	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+2ACN+2H"	84.067652
"1596322"	409.028828	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+K+HCOOH"	84.968628
"1420892"	439.060338	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+H+CF3COOH"	115.000138
"1153366"	224.577201	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+3ACN+2H"	125.094202
"1702918"	456.086885	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+NH4+CF3COOH"	132.026685
"1645131"	461.04228	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+Na+CF3COOH"	136.98208
"1580781"	477.01622	"C12037"	"Pyochelin"	"C14H16N2O3S2"	"324.0602"	"M+K+CF3COOH"	152.95602
"802400"	481.1164	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M"	0
"980309"	462.09801	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-H2O-H"	-19.01839
"66362"	319.736990666667	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M-3H"	-3.021828
"516498"	480.109124	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M-3H"	-3.021828
"891382"	159.364857333333	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-3H"	-3.021828
"7774"	480.109124	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M-2H"	-2.014552
"450613"	720.667324	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M-2H"	-2.014552
"825136"	239.550924	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-2H"	-2.014552
"89866"	961.225524	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M-H"	-1.007276
"530162"	1442.341924	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M-H"	-1.007276
"903587"	480.109124	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-H"	-1.007276
"59058"	978.252071	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M-2H+NH4"	16.019271
"497162"	1459.368471	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M-2H+NH4"	16.019271
"865607"	497.135671	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-2H+NH4"	16.019271
"39946"	983.207466	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M-2H+Na"	20.974666
"475132"	1464.323866	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M-2H+Na"	20.974666
"854026"	502.091066	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-2H+Na"	20.974666
"1626841"	502.091066	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Na-2H"	20.974666
"98997"	498.097463	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M-H+Cl"	33.962126
"539650"	738.655663	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M-H+Cl"	33.962126
"934258"	257.539263	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-H+Cl"	33.962126
"272815"	997.202202	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+Cl"	34.969402
"665235"	1478.318602	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+Cl"	34.969402
"1284934"	516.085802	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Cl"	34.969402
"27857"	999.181406	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M-2H+K"	36.948606
"470093"	1480.297806	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M-2H+K"	36.948606
"844858"	518.065006	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-2H+K"	36.948606
"1567982"	518.065006	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+K-2H"	36.948606
"955138"	526.114594	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-H+HCOOH"	44.998194
"375908"	1007.231001	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+HCOOH-H"	44.998201
"361129"	1021.246651	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+Hac-H"	59.013851
"1507534"	540.130251	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Hac-H"	59.013851
"972887"	548.096551	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-H+NaCOOH"	66.980151
"124466"	516.085802	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+2Cl"	69.938804
"564877"	756.644002	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+2Cl"	69.938804
"1034888"	275.527602	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2Cl"	69.938804
"1248633"	560.035285	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Br"	78.918885
"1311080"	562.091272	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Cl+HCOOH"	80.974872
"1329672"	584.073229	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Cl+NaCOOH"	102.956829
"917449"	594.101986	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M-H+CF3COOH"	112.985586
"1295250"	630.078664	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Cl+CF3COOH"	148.962264
"1375599"	446.103724	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H-2H2O"	-35.012676
"1389815"	464.1137	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H-H2O"	-17.0027
"290230"	963.240076	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+H"	1.007276
"680467"	1444.356476	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+H"	1.007276
"1358271"	482.123676	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H"	1.007276
"132253"	482.123676	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+2H"	2.014552
"571815"	722.681876	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+2H"	2.014552
"1042072"	241.565476	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2H"	2.014552
"217646"	321.751542666667	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+3H"	3.021828
"658660"	482.123676	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+3H"	3.021828
"1176055"	161.379409333333	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+3H"	3.021828
"436052"	980.266623	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+NH4"	18.033823
"795953"	1461.383023	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+NH4"	18.033823
"1690096"	499.150223	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+NH4"	18.033823
"335456"	490.6369495	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+H+NH4"	19.041099
"726054"	731.1951495	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+H+NH4"	19.041099
"1480966"	250.0787495	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H+NH4"	19.041099
"396000"	985.222018	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+Na"	22.989218
"762098"	1466.338418	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+Na"	22.989218
"1610196"	504.105618	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Na"	22.989218
"323521"	493.114647	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+H+Na"	23.996494
"717035"	733.672847	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+H+Na"	23.996494
"1469765"	252.556447	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H+Na"	23.996494
"1061917"	168.706723333333	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2H+Na"	25.00377
"1267970"	514.149886	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+CH3OH+H"	33.033486
"385449"	1001.195958	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+K"	38.963158
"750819"	1482.312358	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+K"	38.963158
"1545217"	520.079558	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+K"	38.963158
"300206"	501.101617	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+H+K"	39.970434
"698097"	741.659817	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+H+K"	39.970434
"1449729"	260.543417	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H+K"	39.970434
"243805"	1004.266626	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+ACN+H"	42.033826
"1214326"	523.150226	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+ACN+H"	42.033826
"1198206"	262.078751	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+ACN+2H"	43.041102
"197644"	1007.20396	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+2Na-H"	44.97116
"638298"	1488.32036	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+2Na-H"	44.97116
"1138522"	526.08756	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2Na-H"	44.97116
"180719"	504.105618	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+2Na"	45.978436
"621373"	744.663818	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+2Na"	45.978436
"1127066"	263.547418	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2Na"	45.978436
"1412657"	176.034037333333	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H+2Na"	46.985712
"1445503"	528.129146	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H+HCOOH"	47.012746
"230214"	509.13864	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+3H2O+2H"	56.04448
"1519370"	542.18119	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+IsoProp+H"	61.06479
"419055"	512.092588	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+Na+K"	61.952376
"780052"	752.650788	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+Na+K"	61.952376
"1674200"	271.534388	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Na+K"	61.952376
"260721"	1026.248568	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+ACN+Na"	64.015768
"1233428"	545.132168	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+ACN+Na"	64.015768
"1722315"	545.155693	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+NH4+HCOOH"	64.039293
"1188766"	183.361351333333	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+3Na"	68.967654
"1656470"	550.111088	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Na+HCOOH"	68.994688
"161509"	1039.15184	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+2K-H"	76.91904
"598637"	1520.26824	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+2K-H"	76.91904
"1085578"	558.03544	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2K-H"	76.91904
"143123"	520.079558	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"2M+2K"	77.926316
"585234"	760.637758	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"3M+2K"	77.926316
"1073756"	279.521358	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2K"	77.926316
"1103685"	560.049992	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2K+H"	78.933592
"1338975"	560.137607	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+DMSO+H"	79.021207
"1007868"	564.176776	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2ACN+H"	83.060376
"1526481"	565.170408	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+IsoProp+Na+H"	84.054008
"995356"	282.592026	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+2ACN+2H"	84.067652
"1596432"	566.085028	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+K+HCOOH"	84.968628
"1419909"	596.116538	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+H+CF3COOH"	115.000138
"1153477"	303.105301	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+3ACN+2H"	125.094202
"1704123"	613.143085	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+NH4+CF3COOH"	132.026685
"1643055"	618.09848	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+Na+CF3COOH"	136.98208
"1580891"	634.07242	"C12038"	"Yersiniabactin"	"C21H27N3O4S3"	"481.1164"	"M+K+CF3COOH"	152.95602
"802752"	491.2705	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M"	0
"980419"	472.25211	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-H2O-H"	-19.01839
"65379"	326.506390666667	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M-3H"	-3.021828
"516972"	490.263224	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M-3H"	-3.021828
"891492"	162.749557333333	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-3H"	-3.021828
"5697"	490.263224	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M-2H"	-2.014552
"450723"	735.898474	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M-2H"	-2.014552
"824153"	244.627974	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-2H"	-2.014552
"90704"	981.533724	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M-H"	-1.007276
"530271"	1472.804224	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M-H"	-1.007276
"905519"	490.263224	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-H"	-1.007276
"58072"	998.560271	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M-2H+NH4"	16.019271
"496543"	1489.830771	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M-2H+NH4"	16.019271
"866689"	507.289771	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-2H+NH4"	16.019271
"40056"	1003.515666	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M-2H+Na"	20.974666
"477429"	1494.786166	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M-2H+Na"	20.974666
"859604"	512.245166	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-2H+Na"	20.974666
"1626952"	512.245166	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Na-2H"	20.974666
"99108"	508.251563	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M-H+Cl"	33.962126
"539761"	753.886813	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M-H+Cl"	33.962126
"935461"	262.616313	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-H+Cl"	33.962126
"279486"	1017.510402	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+Cl"	34.969402
"668627"	1508.780902	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+Cl"	34.969402
"1286502"	526.239902	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Cl"	34.969402
"27967"	1019.489606	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M-2H+K"	36.948606
"470202"	1510.760106	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M-2H+K"	36.948606
"838405"	528.219106	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-2H+K"	36.948606
"1562258"	528.219106	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+K-2H"	36.948606
"950139"	536.268694	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-H+HCOOH"	44.998194
"373826"	1027.539201	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+HCOOH-H"	44.998201
"359900"	1041.554851	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+Hac-H"	59.013851
"1506909"	550.284351	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Hac-H"	59.013851
"973123"	558.250651	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-H+NaCOOH"	66.980151
"124090"	526.239902	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+2Cl"	69.938804
"563283"	771.875152	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+2Cl"	69.938804
"1032446"	280.604652	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2Cl"	69.938804
"1248743"	570.189385	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Br"	78.918885
"1310098"	572.245372	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Cl+HCOOH"	80.974872
"1329781"	594.227329	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Cl+NaCOOH"	102.956829
"915372"	604.256086	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M-H+CF3COOH"	112.985586
"1294267"	640.232764	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Cl+CF3COOH"	148.962264
"1375709"	456.257824	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H-2H2O"	-35.012676
"1385552"	474.2678	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H-H2O"	-17.0027
"285239"	983.548276	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+H"	1.007276
"677659"	1474.818776	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+H"	1.007276
"1352550"	492.277776	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H"	1.007276
"127990"	492.277776	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+2H"	2.014552
"566458"	737.913026	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+2H"	2.014552
"1039995"	246.642526	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2H"	2.014552
"213018"	328.520942666667	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+3H"	3.021828
"654762"	492.277776	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+3H"	3.021828
"1172886"	164.764109333333	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+3H"	3.021828
"436162"	1000.574823	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+NH4"	18.033823
"793874"	1491.845323	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+NH4"	18.033823
"1691300"	509.304323	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+NH4"	18.033823
"334108"	500.7910495	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+H+NH4"	19.041099
"726164"	746.4262995	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+H+NH4"	19.041099
"1481440"	255.1557995	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H+NH4"	19.041099
"395745"	1005.530218	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+Na"	22.989218
"762208"	1496.800718	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+Na"	22.989218
"1609213"	514.259718	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Na"	22.989218
"320351"	503.268747	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+H+Na"	23.996494
"714958"	748.903997	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+H+Na"	23.996494
"1466595"	257.633497	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H+Na"	23.996494
"1060934"	172.091423333333	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2H+Na"	25.00377
"1266987"	524.303986	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+CH3OH+H"	33.033486
"385559"	1021.504158	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+K"	38.963158
"748742"	1512.774658	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+K"	38.963158
"1545327"	530.233658	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+K"	38.963158
"299100"	511.255717	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+H+K"	39.970434
"693833"	756.890967	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+H+K"	39.970434
"1446071"	265.620467	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H+K"	39.970434
"241728"	1024.574826	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+ACN+H"	42.033826
"1214799"	533.304326	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+ACN+H"	42.033826
"1199409"	267.155801	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+ACN+2H"	43.041102
"197754"	1027.51216	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+2Na-H"	44.97116
"638408"	1518.78266	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+2Na-H"	44.97116
"1138632"	536.24166	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2Na-H"	44.97116
"180829"	514.259718	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+2Na"	45.978436
"621483"	759.894968	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+2Na"	45.978436
"1127176"	268.624468	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2Na"	45.978436
"1406328"	179.418737333333	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H+2Na"	46.985712
"1444762"	538.283246	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H+HCOOH"	47.012746
"229231"	519.29274	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+3H2O+2H"	56.04448
"1520573"	552.33529	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+IsoProp+H"	61.06479
"418072"	522.246688	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+Na+K"	61.952376
"783442"	767.881938	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+Na+K"	61.952376
"1676497"	276.611438	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Na+K"	61.952376
"260829"	1046.556768	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+ACN+Na"	64.015768
"1233538"	555.286268	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+ACN+Na"	64.015768
"1716957"	555.309793	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+NH4+HCOOH"	64.039293
"1190699"	186.746051333333	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+3Na"	68.967654
"1656580"	560.265188	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Na+HCOOH"	68.994688
"161619"	1059.46004	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+2K-H"	76.91904
"598626"	1550.73054	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+2K-H"	76.91904
"1086417"	568.18954	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2K-H"	76.91904
"142868"	530.233658	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"2M+2K"	77.926316
"586072"	775.868908	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"3M+2K"	77.926316
"1073866"	284.598408	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2K"	77.926316
"1103794"	570.204092	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2K+H"	78.933592
"1338720"	570.291707	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+DMSO+H"	79.021207
"1008707"	574.330876	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2ACN+H"	83.060376
"1525498"	575.324508	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+IsoProp+Na+H"	84.054008
"994373"	287.669076	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+2ACN+2H"	84.067652
"1596542"	576.239128	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+K+HCOOH"	84.968628
"1420019"	606.270638	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+H+CF3COOH"	115.000138
"1153587"	308.182351	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+3ACN+2H"	125.094202
"1705326"	623.297185	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+NH4+CF3COOH"	132.026685
"1643165"	628.25258	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+Na+CF3COOH"	136.98208
"1581001"	644.22652	"C12039"	"Epothilone D;Desoxyepothilone b"	"C27H41NO5S"	"491.2705"	"M+K+CF3COOH"	152.95602
"804807"	582.0706	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M"	0
"982716"	563.05221	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-H2O-H"	-19.01839
"67676"	387.039790666667	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M-3H"	-3.021828
"515991"	581.063324	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M-3H"	-3.021828
"891602"	193.016257333333	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-3H"	-3.021828
"15405"	581.063324	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M-2H"	-2.014552
"450833"	872.098624	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M-2H"	-2.014552
"831917"	290.028024	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-2H"	-2.014552
"90814"	1163.133924	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M-H"	-1.007276
"527099"	1745.204524	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M-H"	-1.007276
"904900"	581.063324	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-H"	-1.007276
"53807"	1180.160471	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M-2H+NH4"	16.019271
"496653"	1762.231071	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M-2H+NH4"	16.019271
"864974"	598.089871	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-2H+NH4"	16.019271
"32269"	1185.115866	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M-2H+Na"	20.974666
"476446"	1767.186466	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M-2H+Na"	20.974666
"852062"	603.045266	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-2H+Na"	20.974666
"1623784"	603.045266	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Na-2H"	20.974666
"100311"	599.051663	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M-H+Cl"	33.962126
"539871"	890.086963	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M-H+Cl"	33.962126
"933384"	308.016363	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-H+Cl"	33.962126
"275225"	1199.110602	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+Cl"	34.969402
"667644"	1781.181202	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+Cl"	34.969402
"1286612"	617.040002	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Cl"	34.969402
"29537"	1201.089806	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M-2H+K"	36.948606
"469096"	1783.160406	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M-2H+K"	36.948606
"842162"	619.019206	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-2H+K"	36.948606
"1565648"	619.019206	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+K-2H"	36.948606
"950250"	627.068794	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-H+HCOOH"	44.998194
"371750"	1209.139401	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+HCOOH-H"	44.998201
"358553"	1223.155051	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+Hac-H"	59.013851
"1503010"	641.084451	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Hac-H"	59.013851
"972742"	649.050751	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-H+NaCOOH"	66.980151
"122012"	617.040002	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+2Cl"	69.938804
"560114"	908.075302	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+2Cl"	69.938804
"1030371"	326.004702	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2Cl"	69.938804
"1252136"	660.989485	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Br"	78.918885
"1312396"	663.045472	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Cl+HCOOH"	80.974872
"1324425"	685.027429	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Cl+NaCOOH"	102.956829
"914388"	695.056186	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M-H+CF3COOH"	112.985586
"1291095"	731.032864	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Cl+CF3COOH"	148.962264
"1369259"	547.057924	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H-2H2O"	-35.012676
"1385663"	565.0679	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H-H2O"	-17.0027
"289723"	1165.148476	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+H"	1.007276
"678863"	1747.219076	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+H"	1.007276
"1355214"	583.077876	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H"	1.007276
"125736"	583.077876	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+2H"	2.014552
"565755"	874.113176	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+2H"	2.014552
"1039740"	292.042576	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2H"	2.014552
"215311"	389.054342666667	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+3H"	3.021828
"652688"	583.077876	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+3H"	3.021828
"1174089"	195.030809333333	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+3H"	3.021828
"434085"	1182.175023	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+NH4"	18.033823
"796170"	1764.245623	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+NH4"	18.033823
"1689224"	600.104423	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+NH4"	18.033823
"334584"	591.5911495	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+H+NH4"	19.041099
"728461"	882.6264495	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+H+NH4"	19.041099
"1484832"	300.5558495	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H+NH4"	19.041099
"399138"	1187.130418	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+Na"	22.989218
"758310"	1769.201018	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+Na"	22.989218
"1608595"	605.059818	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Na"	22.989218
"321554"	594.068847	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+H+Na"	23.996494
"713975"	885.104147	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+H+Na"	23.996494
"1469984"	303.033547	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H+Na"	23.996494
"1062137"	202.358123333333	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2H+Na"	25.00377
"1268189"	615.104086	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+CH3OH+H"	33.033486
"385669"	1203.104358	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+K"	38.963158
"748852"	1785.174958	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+K"	38.963158
"1542157"	621.033758	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+K"	38.963158
"299089"	602.055817	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+H+K"	39.970434
"693578"	893.091117	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+H+K"	39.970434
"1445733"	311.020517	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H+K"	39.970434
"241838"	1206.175026	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+ACN+H"	42.033826
"1216002"	624.104426	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+ACN+H"	42.033826
"1199519"	312.555851	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+ACN+2H"	43.041102
"197864"	1209.11236	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+2Na-H"	44.97116
"635238"	1791.18296	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+2Na-H"	44.97116
"1140929"	627.04176	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2Na-H"	44.97116
"182033"	605.059818	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+2Na"	45.978436
"622323"	896.095118	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+2Na"	45.978436
"1128015"	314.024518	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2Na"	45.978436
"1413364"	209.685437333333	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H+2Na"	46.985712
"1444750"	629.083346	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H+HCOOH"	47.012746
"233351"	610.09284	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+3H2O+2H"	56.04448
"1518497"	643.13539	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+IsoProp+H"	61.06479
"422559"	613.046788	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+Na+K"	61.952376
"779182"	904.082088	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+Na+K"	61.952376
"1674421"	322.011488	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Na+K"	61.952376
"258752"	1228.156968	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+ACN+Na"	64.015768
"1230732"	646.086368	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+ACN+Na"	64.015768
"1718525"	646.109893	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+NH4+HCOOH"	64.039293
"1190079"	217.012751333333	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+3Na"	68.967654
"1657054"	651.065288	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Na+HCOOH"	68.994688
"169020"	1241.06024	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+2K-H"	76.91904
"604569"	1823.13084	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+2K-H"	76.91904
"1085434"	658.98964	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2K-H"	76.91904
"142369"	621.033758	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"2M+2K"	77.926316
"585091"	912.069058	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"3M+2K"	77.926316
"1073976"	329.998458	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2K"	77.926316
"1101357"	661.004192	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2K+H"	78.933592
"1338105"	661.091807	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+DMSO+H"	79.021207
"1007724"	665.130976	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2ACN+H"	83.060376
"1524636"	666.124608	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+IsoProp+Na+H"	84.054008
"993390"	333.069126	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+2ACN+2H"	84.067652
"1596652"	667.039228	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+K+HCOOH"	84.968628
"1429691"	697.070738	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+H+CF3COOH"	115.000138
"1155885"	353.582401	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+3ACN+2H"	125.094202
"1705436"	714.097285	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+NH4+CF3COOH"	132.026685
"1648742"	719.05268	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+Na+CF3COOH"	136.98208
"1581111"	735.02662	"C12040"	"Telomestatin"	"C26H14N8O7S"	"582.0706"	"M+K+CF3COOH"	152.95602
"811478"	1269.6546	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M"	0
"981733"	1250.63621	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-H2O-H"	-19.01839
"68881"	845.429124	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M-3H"	-3.021828
"516098"	1268.647324	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M-3H"	-3.021828
"893899"	422.210924	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-3H"	-3.021828
"5912"	1268.647324	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M-2H"	-2.014552
"452766"	1903.474624	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M-2H"	-2.014552
"829840"	633.820024	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-2H"	-2.014552
"89831"	2538.301924	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M-H"	-1.007276
"530125"	3807.956524	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M-H"	-1.007276
"903917"	1268.647324	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-H"	-1.007276
"60115"	2555.328471	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M-2H+NH4"	16.019271
"495669"	3824.983071	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M-2H+NH4"	16.019271
"866180"	1285.673871	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-2H+NH4"	16.019271
"32986"	2560.283866	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M-2H+Na"	20.974666
"474369"	3829.938466	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M-2H+Na"	20.974666
"852536"	1290.629266	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-2H+Na"	20.974666
"1623894"	1290.629266	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Na-2H"	20.974666
"99329"	1286.635663	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M-H+Cl"	33.962126
"539981"	1921.462963	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M-H+Cl"	33.962126
"934588"	651.808363	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-H+Cl"	33.962126
"272055"	2574.278602	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+Cl"	34.969402
"666661"	3843.933202	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+Cl"	34.969402
"1280161"	1304.624002	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Cl"	34.969402
"25998"	2576.257806	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M-2H+K"	36.948606
"467746"	3845.912406	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M-2H+K"	36.948606
"842272"	1306.603206	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-2H+K"	36.948606
"1564666"	1306.603206	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+K-2H"	36.948606
"950361"	1314.652794	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-H+HCOOH"	44.998194
"371859"	2584.307401	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+HCOOH-H"	44.998201
"355741"	2598.323051	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+Hac-H"	59.013851
"1500204"	1328.668451	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Hac-H"	59.013851
"973093"	1336.634751	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-H+NaCOOH"	66.980151
"119935"	1304.624002	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+2Cl"	69.938804
"560224"	1939.451302	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+2Cl"	69.938804
"1035707"	669.796702	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2Cl"	69.938804
"1255893"	1348.573485	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Br"	78.918885
"1312507"	1350.629472	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Cl+HCOOH"	80.974872
"1326723"	1372.611429	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Cl+NaCOOH"	102.956829
"916687"	1382.640186	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M-H+CF3COOH"	112.985586
"1291206"	1418.616864	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Cl+CF3COOH"	148.962264
"1368640"	1234.641924	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H-2H2O"	-35.012676
"1385773"	1252.6519	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H-H2O"	-17.0027
"286552"	2540.316476	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+H"	1.007276
"680063"	3809.971076	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+H"	1.007276
"1354229"	1270.661876	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H"	1.007276
"125815"	1270.661876	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+2H"	2.014552
"565901"	1905.489176	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+2H"	2.014552
"1038756"	635.834576	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2H"	2.014552
"216514"	847.443676	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+3H"	3.021828
"657171"	1270.661876	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+3H"	3.021828
"1173107"	424.225476	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+3H"	3.021828
"437110"	2557.343023	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+NH4"	18.033823
"795187"	3826.997623	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+NH4"	18.033823
"1692614"	1287.688423	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+NH4"	18.033823
"337244"	1279.1751495	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+H+NH4"	19.041099
"731123"	1914.0024495	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+H+NH4"	19.041099
"1483850"	644.3478495	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H+NH4"	19.041099
"399612"	2562.298418	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+Na"	22.989218
"757689"	3831.953018	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+Na"	22.989218
"1605424"	1292.643818	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Na"	22.989218
"329686"	1281.652847	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+H+Na"	23.996494
"714085"	1916.480147	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+H+Na"	23.996494
"1473375"	646.825547	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H+Na"	23.996494
"1064433"	431.55279	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2H+Na"	25.00377
"1266114"	1302.688086	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+CH3OH+H"	33.033486
"384686"	2578.272358	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+K"	38.963158
"746776"	3847.926958	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+K"	38.963158
"1549922"	1308.617758	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+K"	38.963158
"299444"	1289.639817	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+H+K"	39.970434
"695147"	1924.467117	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+H+K"	39.970434
"1445602"	654.812517	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H+K"	39.970434
"240855"	2581.343026	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+ACN+H"	42.033826
"1214655"	1311.688426	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+ACN+H"	42.033826
"1194361"	656.347851	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+ACN+2H"	43.041102
"201254"	2584.28036	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+2Na-H"	44.97116
"636441"	3853.93496	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+2Na-H"	44.97116
"1139946"	1314.62576	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2Na-H"	44.97116
"183966"	1292.643818	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+2Na"	45.978436
"622797"	1927.471118	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+2Na"	45.978436
"1124115"	657.816518	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2Na"	45.978436
"1413721"	438.880104	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H+2Na"	46.985712
"1445352"	1316.667346	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H+HCOOH"	47.012746
"235042"	1297.67684	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+3H2O+2H"	56.04448
"1520793"	1330.71939	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+IsoProp+H"	61.06479
"423806"	1300.630788	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+Na+K"	61.952376
"784154"	1935.458088	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+Na+K"	61.952376
"1676718"	665.803488	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Na+K"	61.952376
"263237"	2603.324968	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+ACN+Na"	64.015768
"1234852"	1333.670368	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+ACN+Na"	64.015768
"1725925"	1333.693893	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+NH4+HCOOH"	64.039293
"1191282"	446.207418	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+3Na"	68.967654
"1657164"	1338.649288	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Na+HCOOH"	68.994688
"168037"	2616.22824	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+2K-H"	76.91904
"602493"	3885.88284	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+2K-H"	76.91904
"1088097"	1346.57364	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2K-H"	76.91904
"142362"	1308.617758	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"2M+2K"	77.926316
"584109"	1943.445058	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"3M+2K"	77.926316
"1072991"	673.790458	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2K"	77.926316
"1100739"	1348.588192	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2K+H"	78.933592
"1336391"	1348.675807	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+DMSO+H"	79.021207
"1008928"	1352.714976	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2ACN+H"	83.060376
"1524421"	1353.708608	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+IsoProp+Na+H"	84.054008
"992408"	676.861126	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+2ACN+2H"	84.067652
"1597855"	1354.623228	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+K+HCOOH"	84.968628
"1427895"	1384.654738	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+H+CF3COOH"	115.000138
"1155995"	697.374401	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+3ACN+2H"	125.094202
"1705546"	1401.681285	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+NH4+CF3COOH"	132.026685
"1648852"	1406.63668	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+Na+CF3COOH"	136.98208
"1581221"	1422.61062	"C12041"	"Tyrocidine"	"C66H87N13O13"	"1269.6546"	"M+K+CF3COOH"	152.95602
"810495"	1462.7959	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M"	0
"980749"	1443.77751	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-H2O-H"	-19.01839
"68991"	974.189990666667	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M-3H"	-3.021828
"516208"	1461.788624	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M-3H"	-3.021828
"894009"	486.591357333333	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-3H"	-3.021828
"2742"	1461.788624	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M-2H"	-2.014552
"451053"	2193.186574	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M-2H"	-2.014552
"828856"	730.390674	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-2H"	-2.014552
"89941"	2924.584524	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M-H"	-1.007276
"527319"	4387.380424	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M-H"	-1.007276
"904027"	1461.788624	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-H"	-1.007276
"59132"	2941.611071	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M-2H+NH4"	16.019271
"495779"	4404.406971	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M-2H+NH4"	16.019271
"866290"	1478.815171	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-2H+NH4"	16.019271
"32610"	2946.566466	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M-2H+Na"	20.974666
"473386"	4409.362366	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M-2H+Na"	20.974666
"852282"	1483.770566	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-2H+Na"	20.974666
"1621817"	1483.770566	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Na-2H"	20.974666
"99438"	1479.776963	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M-H+Cl"	33.962126
"537904"	2211.174913	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M-H+Cl"	33.962126
"934698"	748.379013	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-H+Cl"	33.962126
"274351"	2960.561202	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+Cl"	34.969402
"667500"	4423.357102	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+Cl"	34.969402
"1279177"	1497.765302	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Cl"	34.969402
"25015"	2962.540406	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M-2H+K"	36.948606
"468949"	4425.336306	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M-2H+K"	36.948606
"835818"	1499.744506	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-2H+K"	36.948606
"1559305"	1499.744506	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+K-2H"	36.948606
"946096"	1507.794094	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-H+HCOOH"	44.998194
"366499"	2970.590001	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+HCOOH-H"	44.998201
"351476"	2984.605651	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+Hac-H"	59.013851
"1500308"	1521.809751	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Hac-H"	59.013851
"970041"	1529.776051	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-H+NaCOOH"	66.980151
"120039"	1497.765302	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+2Cl"	69.938804
"559967"	2229.163252	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+2Cl"	69.938804
"1032773"	766.367352	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2Cl"	69.938804
"1246887"	1541.714785	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Br"	78.918885
"1310428"	1543.770772	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Cl+HCOOH"	80.974872
"1324645"	1565.752729	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Cl+NaCOOH"	102.956829
"914609"	1575.781486	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M-H+CF3COOH"	112.985586
"1290222"	1611.758164	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Cl+CF3COOH"	148.962264
"1367535"	1427.783224	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H-2H2O"	-35.012676
"1388070"	1445.7932	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H-H2O"	-17.0027
"283380"	2926.599076	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+H"	1.007276
"680175"	4389.394976	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+H"	1.007276
"1354338"	1463.803176	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H"	1.007276
"127470"	1463.803176	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+2H"	2.014552
"566179"	2195.201126	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+2H"	2.014552
"1037524"	732.405226	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2H"	2.014552
"216624"	976.204542666667	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+3H"	3.021828
"656554"	1463.803176	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+3H"	3.021828
"1173217"	488.605909333333	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+3H"	3.021828
"437463"	2943.625623	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+NH4"	18.033823
"794204"	4406.421523	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+NH4"	18.033823
"1692724"	1480.829723	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+NH4"	18.033823
"335898"	1472.3164495	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+H+NH4"	19.041099
"731233"	2203.7143995	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+H+NH4"	19.041099
"1486147"	740.9184995	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H+NH4"	19.041099
"400815"	2948.581018	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+Na"	22.989218
"757436"	4411.376918	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+Na"	22.989218
"1608453"	1485.785118	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Na"	22.989218
"328336"	1474.794147	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+H+Na"	23.996494
"712008"	2206.192097	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+H+Na"	23.996494
"1472392"	743.396197	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H+Na"	23.996494
"1062357"	495.933223333333	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2H+Na"	25.00377
"1265130"	1495.829386	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+CH3OH+H"	33.033486
"384796"	2964.554958	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+K"	38.963158
"744698"	4427.350858	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+K"	38.963158
"1542741"	1501.759058	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+K"	38.963158
"299918"	1482.781117	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+H+K"	39.970434
"694164"	2214.179067	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+H+K"	39.970434
"1445872"	751.383167	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H+K"	39.970434
"243151"	2967.625626	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+ACN+H"	42.033826
"1214764"	1504.829726	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+ACN+H"	42.033826
"1194350"	752.918501	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+ACN+2H"	43.041102
"201973"	2970.56296	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+2Na-H"	44.97116
"639467"	4433.35886	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+2Na-H"	44.97116
"1142973"	1507.76706	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2Na-H"	44.97116
"185779"	1485.785118	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+2Na"	45.978436
"627769"	2217.183068	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+2Na"	45.978436
"1130673"	754.387168	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2Na"	45.978436
"1413346"	503.260537333333	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H+2Na"	46.985712
"1444371"	1509.808646	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H+HCOOH"	47.012746
"233817"	1490.81814	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+3H2O+2H"	56.04448
"1523217"	1523.86069	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+IsoProp+H"	61.06479
"419495"	1493.772088	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+Na+K"	61.952376
"781590"	2225.170038	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+Na+K"	61.952376
"1675734"	762.374138	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Na+K"	61.952376
"263346"	2989.607568	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+ACN+Na"	64.015768
"1239944"	1526.811668	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+ACN+Na"	64.015768
"1721661"	1526.835193	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+NH4+HCOOH"	64.039293
"1186652"	510.587851333333	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+3Na"	68.967654
"1657274"	1531.790588	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Na+HCOOH"	68.994688
"163407"	3002.51084	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+2K-H"	76.91904
"599686"	4465.30674	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+2K-H"	76.91904
"1084562"	1539.71494	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2K-H"	76.91904
"142471"	1501.759058	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"2M+2K"	77.926316
"584219"	2233.157008	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"3M+2K"	77.926316
"1073102"	770.361108	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2K"	77.926316
"1107404"	1541.729492	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2K+H"	78.933592
"1341603"	1541.817107	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+DMSO+H"	79.021207
"1009037"	1545.856276	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2ACN+H"	83.060376
"1525342"	1546.849908	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+IsoProp+Na+H"	84.054008
"991059"	773.431776	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+2ACN+2H"	84.067652
"1587349"	1547.764528	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+K+HCOOH"	84.968628
"1426908"	1577.796038	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+H+CF3COOH"	115.000138
"1159384"	793.945051	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+3ACN+2H"	125.094202
"1702376"	1594.822585	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+NH4+CF3COOH"	132.026685
"1642399"	1599.77798	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+Na+CF3COOH"	136.98208
"1581330"	1615.75192	"C12042"	"Fengycin"	"C72H110N12O20"	"1462.7959"	"M+K+CF3COOH"	152.95602
"811698"	1035.6831	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M"	0
"981952"	1016.66471	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-H2O-H"	-19.01839
"70194"	689.448124	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M-3H"	-3.021828
"515225"	1034.675824	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M-3H"	-3.021828
"890840"	344.220424	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-3H"	-3.021828
"1758"	1034.675824	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M-2H"	-2.014552
"451163"	1552.517374	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M-2H"	-2.014552
"830789"	516.834274	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-2H"	-2.014552
"91145"	2070.358924	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M-H"	-1.007276
"527429"	3106.042024	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M-H"	-1.007276
"904137"	1034.675824	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-H"	-1.007276
"58512"	2087.385471	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M-2H+NH4"	16.019271
"495889"	3123.068571	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M-2H+NH4"	16.019271
"872597"	1051.702371	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-2H+NH4"	16.019271
"36124"	2092.340866	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M-2H+Na"	20.974666
"474589"	3128.023966	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M-2H+Na"	20.974666
"853487"	1056.657766	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-2H+Na"	20.974666
"1620834"	1056.657766	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Na-2H"	20.974666
"100642"	1052.664163	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M-H+Cl"	33.962126
"543483"	1570.505713	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M-H+Cl"	33.962126
"933715"	534.822613	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-H+Cl"	33.962126
"272275"	2106.335602	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+Cl"	34.969402
"664694"	3142.018702	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+Cl"	34.969402
"1277095"	1070.652502	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Cl"	34.969402
"25125"	2108.314806	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M-2H+K"	36.948606
"467966"	3143.997906	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M-2H+K"	36.948606
"843585"	1072.631706	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-2H+K"	36.948606
"1565979"	1072.631706	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+K-2H"	36.948606
"951673"	1080.681294	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-H+HCOOH"	44.998194
"370983"	2116.364401	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+HCOOH-H"	44.998201
"355959"	2130.380051	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+Hac-H"	59.013851
"1500418"	1094.696951	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Hac-H"	59.013851
"970151"	1102.663251	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-H+NaCOOH"	66.980151
"119785"	1070.652502	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+2Cl"	69.938804
"557524"	1588.494052	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+2Cl"	69.938804
"1027416"	552.810952	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2Cl"	69.938804
"1246997"	1114.601985	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Br"	78.918885
"1310539"	1116.657972	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Cl+HCOOH"	80.974872
"1323662"	1138.639929	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Cl+NaCOOH"	102.956829
"914720"	1148.668686	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M-H+CF3COOH"	112.985586
"1292519"	1184.645364	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Cl+CF3COOH"	148.962264
"1371407"	1000.670424	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H-2H2O"	-35.012676
"1388181"	1018.6804	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H-H2O"	-17.0027
"290054"	2072.373476	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+H"	1.007276
"681383"	3108.056576	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+H"	1.007276
"1353358"	1036.690376	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H"	1.007276
"126002"	1036.690376	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+2H"	2.014552
"565760"	1554.531926	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+2H"	2.014552
"1037886"	518.848826	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2H"	2.014552
"216734"	691.462676	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+3H"	3.021828
"658970"	1036.690376	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+3H"	3.021828
"1173326"	346.234976	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+3H"	3.021828
"437330"	2089.400023	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+NH4"	18.033823
"794314"	3125.083123	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+NH4"	18.033823
"1690647"	1053.716923	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+NH4"	18.033823
"341111"	1045.2036495	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+H+NH4"	19.041099
"732439"	1563.0451995	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+H+NH4"	19.041099
"1486259"	527.3620995	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H+NH4"	19.041099
"397282"	2094.355418	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+Na"	22.989218
"759371"	3130.038518	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+Na"	22.989218
"1608563"	1058.672318	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Na"	22.989218
"327352"	1047.681347	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+H+Na"	23.996494
"714304"	1565.522897	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+H+Na"	23.996494
"1472502"	529.839797	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H+Na"	23.996494
"1062467"	353.56229	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2H+Na"	25.00377
"1263053"	1068.716586	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+CH3OH+H"	33.033486
"384906"	2110.329358	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+K"	38.963158
"746995"	3146.012458	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+K"	38.963158
"1546861"	1074.646258	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+K"	38.963158
"301120"	1055.668317	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+H+K"	39.970434
"693180"	1573.509867	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+H+K"	39.970434
"1447730"	537.826767	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H+K"	39.970434
"244356"	2113.400026	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+ACN+H"	42.033826
"1214877"	1077.716926	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+ACN+H"	42.033826
"1206052"	539.362101	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+ACN+2H"	43.041102
"203056"	2116.33736	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+2Na-H"	44.97116
"643110"	3152.02046	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+2Na-H"	44.97116
"1146252"	1080.65426	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2Na-H"	44.97116
"188086"	1058.672318	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+2Na"	45.978436
"628214"	1576.513868	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+2Na"	45.978436
"1131150"	540.830768	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2Na"	45.978436
"1413706"	360.889604	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H+2Na"	46.985712
"1444359"	1082.695846	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H+HCOOH"	47.012746
"233681"	1063.70534	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+3H2O+2H"	56.04448
"1522596"	1096.74789	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+IsoProp+H"	61.06479
"422524"	1066.659288	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+Na+K"	61.952376
"783889"	1584.500838	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+Na+K"	61.952376
"1676937"	548.817738	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Na+K"	61.952376
"265643"	2135.381968	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+ACN+Na"	64.015768
"1238351"	1099.698868	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+ACN+Na"	64.015768
"1721771"	1099.722393	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+NH4+HCOOH"	64.039293
"1188584"	368.216918	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+3Na"	68.967654
"1661760"	1104.677788	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Na+HCOOH"	68.994688
"164978"	2148.28524	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+2K-H"	76.91904
"601984"	3183.96834	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+2K-H"	76.91904
"1087224"	1112.60214	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2K-H"	76.91904
"142947"	1074.646258	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"2M+2K"	77.926316
"586516"	1592.487808	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"3M+2K"	77.926316
"1075401"	556.804708	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2K"	77.926316
"1103142"	1114.616692	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2K+H"	78.933592
"1338434"	1114.704307	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+DMSO+H"	79.021207
"1010242"	1118.743476	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2ACN+H"	83.060376
"1524719"	1119.737108	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+IsoProp+Na+H"	84.054008
"992263"	559.875376	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+2ACN+2H"	84.067652
"1587042"	1120.651728	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+K+HCOOH"	84.968628
"1416081"	1150.683238	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+H+CF3COOH"	115.000138
"1160587"	580.388651	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+3ACN+2H"	125.094202
"1707953"	1167.709785	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+NH4+CF3COOH"	132.026685
"1642509"	1172.66518	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+Na+CF3COOH"	136.98208
"1581440"	1188.63912	"C12043"	"Surfactin"	"C53H93N7O13"	"1035.6831"	"M+K+CF3COOH"	152.95602
"811808"	697.3098	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M"	0
"982062"	678.29141	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-H2O-H"	-19.01839
"68117"	463.865924	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M-3H"	-3.021828
"514241"	696.302524	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M-3H"	-3.021828
"890948"	231.429324	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-3H"	-3.021828
"1868"	696.302524	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M-2H"	-2.014552
"447993"	1044.957424	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M-2H"	-2.014552
"819233"	347.647624	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-2H"	-2.014552
"83599"	1393.612324	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M-H"	-1.007276
"525351"	2090.922124	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M-H"	-1.007276
"905340"	696.302524	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-H"	-1.007276
"56434"	1410.638871	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M-2H+NH4"	16.019271
"495999"	2107.948671	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M-2H+NH4"	16.019271
"874894"	713.329071	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-2H+NH4"	16.019271
"38421"	1415.594266	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M-2H+Na"	20.974666
"474699"	2112.904066	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M-2H+Na"	20.974666
"855784"	718.284466	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-2H+Na"	20.974666
"1621307"	718.284466	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Na-2H"	20.974666
"100752"	714.290863	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M-H+Cl"	33.962126
"545416"	1062.945763	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M-H+Cl"	33.962126
"937105"	365.635963	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-H+Cl"	33.962126
"274571"	1429.589002	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+Cl"	34.969402
"664804"	2126.898802	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+Cl"	34.969402
"1278299"	732.279202	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Cl"	34.969402
"25235"	1431.568206	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M-2H+K"	36.948606
"469169"	2128.878006	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M-2H+K"	36.948606
"838227"	734.258406	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-2H+K"	36.948606
"1559889"	734.258406	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+K-2H"	36.948606
"945221"	742.307994	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-H+HCOOH"	44.998194
"367811"	1439.617801	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+HCOOH-H"	44.998201
"352788"	1453.633451	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+Hac-H"	59.013851
"1499434"	756.323651	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Hac-H"	59.013851
"965884"	764.289951	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-H+NaCOOH"	66.980151
"113699"	732.279202	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+2Cl"	69.938804
"554349"	1080.934102	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+2Cl"	69.938804
"1028615"	383.624302	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2Cl"	69.938804
"1246014"	776.228685	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Br"	78.918885
"1310649"	778.284672	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Cl+HCOOH"	80.974872
"1322679"	800.266629	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Cl+NaCOOH"	102.956829
"913737"	810.295386	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M-H+CF3COOH"	112.985586
"1290807"	846.272064	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Cl+CF3COOH"	148.962264
"1370422"	662.297124	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H-2H2O"	-35.012676
"1387198"	680.3071	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H-H2O"	-17.0027
"286884"	1395.626876	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+H"	1.007276
"678213"	2092.936676	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+H"	1.007276
"1352009"	698.317076	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H"	1.007276
"126357"	698.317076	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+2H"	2.014552
"565990"	1046.971976	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+2H"	2.014552
"1037633"	349.662176	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2H"	2.014552
"216844"	465.880476	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+3H"	3.021828
"658472"	698.317076	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+3H"	3.021828
"1175622"	233.443876	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+3H"	3.021828
"435618"	1412.653423	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+NH4"	18.033823
"796611"	2109.963223	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+NH4"	18.033823
"1690757"	715.343623	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+NH4"	18.033823
"342314"	706.8303495	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+H+NH4"	19.041099
"732549"	1055.4852495	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+H+NH4"	19.041099
"1487462"	358.1754495	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H+NH4"	19.041099
"397392"	1417.608818	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+Na"	22.989218
"759481"	2114.918618	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+Na"	22.989218
"1608673"	720.299018	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Na"	22.989218
"327462"	709.308047	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+H+Na"	23.996494
"714414"	1057.962947	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+H+Na"	23.996494
"1467144"	360.653147	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H+Na"	23.996494
"1062577"	240.77119	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2H+Na"	25.00377
"1265348"	730.343286	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+CH3OH+H"	33.033486
"380277"	1433.582758	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+K"	38.963158
"744918"	2130.892558	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+K"	38.963158
"1546971"	736.272958	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+K"	38.963158
"301229"	717.295017	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+H+K"	39.970434
"693290"	1065.949917	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+H+K"	39.970434
"1446136"	368.640117	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H+K"	39.970434
"241184"	1436.653426	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+ACN+H"	42.033826
"1214987"	739.343626	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+ACN+H"	42.033826
"1206162"	370.175451	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+ACN+2H"	43.041102
"204022"	1439.59076	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+2Na-H"	44.97116
"640780"	2136.90056	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+2Na-H"	44.97116
"1146287"	742.28096	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2Na-H"	44.97116
"187957"	720.299018	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+2Na"	45.978436
"627383"	1068.953918	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+2Na"	45.978436
"1130286"	371.644118	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2Na"	45.978436
"1413652"	248.098504	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H+2Na"	46.985712
"1444342"	744.322546	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H+HCOOH"	47.012746
"233791"	725.33204	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+3H2O+2H"	56.04448
"1523193"	758.37459	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+IsoProp+H"	61.06479
"422634"	728.285988	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+Na+K"	61.952376
"783392"	1076.940888	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+Na+K"	61.952376
"1678141"	379.631088	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Na+K"	61.952376
"266362"	1458.635368	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+ACN+Na"	64.015768
"1239554"	761.325568	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+ACN+Na"	64.015768
"1726255"	761.349093	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+NH4+HCOOH"	64.039293
"1187601"	255.425818	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+3Na"	68.967654
"1657859"	766.304488	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Na+HCOOH"	68.994688
"163993"	1471.53864	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+2K-H"	76.91904
"597393"	2168.84844	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+2K-H"	76.91904
"1085147"	774.22884	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2K-H"	76.91904
"143057"	736.272958	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"2M+2K"	77.926316
"584438"	1084.927858	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"3M+2K"	77.926316
"1074418"	387.618058	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2K"	77.926316
"1105438"	776.243392	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2K+H"	78.933592
"1337451"	776.331007	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+DMSO+H"	79.021207
"1008529"	780.370176	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2ACN+H"	83.060376
"1525318"	781.363808	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+IsoProp+Na+H"	84.054008
"992737"	390.688726	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+2ACN+2H"	84.067652
"1587241"	782.278428	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+K+HCOOH"	84.968628
"1417284"	812.309938	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+H+CF3COOH"	115.000138
"1161792"	411.202001	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+3ACN+2H"	125.094202
"1708063"	829.336485	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+NH4+CF3COOH"	132.026685
"1642619"	834.29188	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+Na+CF3COOH"	136.98208
"1581550"	850.26582	"C12044"	"Rifamycin;Rifamycin SV"	"C37H47NO12"	"697.3098"	"M+K+CF3COOH"	152.95602
"813014"	634.2657	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M"	0
"985454"	615.24731	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-H2O-H"	-19.01839
"74790"	421.836524	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M-3H"	-3.021828
"517269"	633.258424	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M-3H"	-3.021828
"889966"	210.414624	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-3H"	-3.021828
"7449"	633.258424	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M-2H"	-2.014552
"447010"	950.391274	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M-2H"	-2.014552
"819343"	316.125574	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-2H"	-2.014552
"89907"	1267.524124	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M-H"	-1.007276
"532024"	1901.789824	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M-H"	-1.007276
"906544"	633.258424	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-H"	-1.007276
"58004"	1284.550671	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M-2H+NH4"	16.019271
"496108"	1918.816371	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M-2H+NH4"	16.019271
"872817"	650.284971	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-2H+NH4"	16.019271
"38531"	1289.506066	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M-2H+Na"	20.974666
"480279"	1923.771766	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M-2H+Na"	20.974666
"854801"	655.240366	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-2H+Na"	20.974666
"1622148"	655.240366	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Na-2H"	20.974666
"100863"	651.246763	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M-H+Cl"	33.962126
"541517"	968.379613	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M-H+Cl"	33.962126
"930657"	334.113913	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-H+Cl"	33.962126
"275776"	1303.500802	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+Cl"	34.969402
"664916"	1937.766502	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+Cl"	34.969402
"1279507"	669.235102	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Cl"	34.969402
"25345"	1305.480006	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M-2H+K"	36.948606
"468190"	1939.745706	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M-2H+K"	36.948606
"837244"	671.214306	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-2H+K"	36.948606
"1565107"	671.214306	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+K-2H"	36.948606
"949709"	679.263894	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-H+HCOOH"	44.998194
"372300"	1313.529601	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+HCOOH-H"	44.998201
"355092"	1327.545251	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+Hac-H"	59.013851
"1503557"	693.279551	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Hac-H"	59.013851
"965999"	701.245851	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-H+NaCOOH"	66.980151
"118186"	669.235102	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+2Cl"	69.938804
"557745"	986.367952	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+2Cl"	69.938804
"1026543"	352.102252	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2Cl"	69.938804
"1243938"	713.184585	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Br"	78.918885
"1310761"	715.240572	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Cl+HCOOH"	80.974872
"1326070"	737.222529	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Cl+NaCOOH"	102.956829
"919316"	747.251286	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M-H+CF3COOH"	112.985586
"1293836"	783.227964	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Cl+CF3COOH"	148.962264
"1368108"	599.253024	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H-2H2O"	-35.012676
"1389497"	617.263	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H-H2O"	-17.0027
"289182"	1269.538676	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+H"	1.007276
"681604"	1903.804376	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+H"	1.007276
"1353578"	635.272976	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H"	1.007276
"127565"	635.272976	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+2H"	2.014552
"567124"	952.405826	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+2H"	2.014552
"1039568"	318.140126	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2H"	2.014552
"218053"	423.851076	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+3H"	3.021828
"656518"	635.272976	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+3H"	3.021828
"1173548"	212.429176	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+3H"	3.021828
"432447"	1286.565223	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+NH4"	18.033823
"800247"	1920.830923	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+NH4"	18.033823
"1690867"	652.299523	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+NH4"	18.033823
"335865"	643.7862495	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+H+NH4"	19.041099
"733752"	960.9190995	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+H+NH4"	19.041099
"1487573"	326.6533995	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H+NH4"	19.041099
"404066"	1291.520618	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+Na"	22.989218
"765060"	1925.786318	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+Na"	22.989218
"1614251"	657.254918	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Na"	22.989218
"321009"	646.263947	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+H+Na"	23.996494
"712338"	963.396797	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+H+Na"	23.996494
"1465069"	329.131097	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H+Na"	23.996494
"1056125"	219.75649	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2H+Na"	25.00377
"1263272"	667.299186	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+CH3OH+H"	33.033486
"378443"	1307.494558	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+K"	38.963158
"738823"	1941.760258	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+K"	38.963158
"1540270"	673.228858	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+K"	38.963158
"299022"	654.250917	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+H+K"	39.970434
"692782"	971.383767	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+H+K"	39.970434
"1446603"	337.118067	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H+K"	39.970434
"248588"	1310.565226	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+ACN+H"	42.033826
"1224944"	676.299526	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+ACN+H"	42.033826
"1209762"	338.653401	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+ACN+2H"	43.041102
"203490"	1313.50256	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+2Na-H"	44.97116
"644023"	1947.76826	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+2Na-H"	44.97116
"1146591"	679.23686	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2Na-H"	44.97116
"188068"	657.254918	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+2Na"	45.978436
"628311"	974.387768	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+2Na"	45.978436
"1131171"	340.122068	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2Na"	45.978436
"1413686"	227.083804	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H+2Na"	46.985712
"1445187"	681.278446	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H+HCOOH"	47.012746
"233538"	662.28794	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+3H2O+2H"	56.04448
"1523668"	695.33049	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+IsoProp+H"	61.06479
"424050"	665.241888	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+Na+K"	61.952376
"781921"	982.374738	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+Na+K"	61.952376
"1680075"	348.109038	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Na+K"	61.952376
"263676"	1332.547168	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+ACN+Na"	64.015768
"1237479"	698.281468	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+ACN+Na"	64.015768
"1721263"	698.304993	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+NH4+HCOOH"	64.039293
"1187349"	234.411118	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+3Na"	68.967654
"1659430"	703.260388	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Na+HCOOH"	68.994688
"164107"	1345.45044	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+2K-H"	76.91904
"607312"	1979.71614	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+2K-H"	76.91904
"1087811"	711.18474	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2K-H"	76.91904
"142555"	673.228858	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"2M+2K"	77.926316
"583456"	990.361708	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"3M+2K"	77.926316
"1071248"	356.096008	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2K"	77.926316
"1101418"	713.199292	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2K+H"	78.933592
"1337072"	713.286907	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+DMSO+H"	79.021207
"1006576"	717.326076	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2ACN+H"	83.060376
"1525186"	718.319708	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+IsoProp+Na+H"	84.054008
"991153"	359.166676	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+2ACN+2H"	84.067652
"1587715"	719.234328	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+K+HCOOH"	84.968628
"1426145"	749.265838	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+H+CF3COOH"	115.000138
"1159353"	379.679951	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+3ACN+2H"	125.094202
"1704892"	766.292385	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+NH4+CF3COOH"	132.026685
"1646011"	771.24778	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+Na+CF3COOH"	136.98208
"1575100"	787.22172	"C12045"	"Ansamitocin P-3;Ansamitosin P-3;Antibiotic C15003P3;C15003P3;Maytansinol isobutyrate;2-De(acetylmethylamino)-2-methylmaytansine"	"C32H43ClN2O9"	"634.2657"	"M+K+CF3COOH"	152.95602
"812028"	1877.5566	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M"	0
"985562"	1858.53821	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-H2O-H"	-19.01839
"69430"	1250.697124	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M-3H"	-3.021828
"518312"	1876.549324	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M-3H"	-3.021828
"891170"	624.844924	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-3H"	-3.021828
"9746"	1876.549324	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H"	-2.014552
"450400"	2815.327624	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H"	-2.014552
"819453"	937.771024	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H"	-2.014552
"91111"	3754.105924	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M-H"	-1.007276
"533718"	5631.662524	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M-H"	-1.007276
"908479"	1876.549324	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-H"	-1.007276
"59936"	3771.132471	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H+NH4"	16.019271
"499498"	5648.689071	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H+NH4"	16.019271
"875115"	1893.575871	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H+NH4"	16.019271
"39735"	3776.087866	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H+Na"	20.974666
"482577"	5653.644466	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H+Na"	20.974666
"851631"	1898.531266	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H+Na"	20.974666
"1622258"	1898.531266	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na-2H"	20.974666
"99880"	1894.537663	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M-H+Cl"	33.962126
"543815"	2833.315963	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M-H+Cl"	33.962126
"934049"	955.759363	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+Cl"	33.962126
"274793"	3790.082602	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Cl"	34.969402
"663933"	5667.639202	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+Cl"	34.969402
"1278524"	1912.526002	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl"	34.969402
"22175"	3792.061806	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H+K"	36.948606
"463923"	5669.618406	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H+K"	36.948606
"837353"	1914.505206	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H+K"	36.948606
"1565217"	1914.505206	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+K-2H"	36.948606
"948725"	1922.554794	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+HCOOH"	44.998194
"369127"	3800.111401	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+HCOOH-H"	44.998201
"351919"	3814.127051	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Hac-H"	59.013851
"1501844"	1936.570451	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Hac-H"	59.013851
"967200"	1944.536751	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+NaCOOH"	66.980151
"117200"	1912.526002	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2Cl"	69.938804
"556762"	2851.304302	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2Cl"	69.938804
"1022642"	973.747702	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2Cl"	69.938804
"1246234"	1956.475485	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Br"	78.918885
"1310871"	1958.531472	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl+HCOOH"	80.974872
"1328366"	1980.513429	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl+NaCOOH"	102.956829
"919426"	1990.542186	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+CF3COOH"	112.985586
"1292852"	2026.518864	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl+CF3COOH"	148.962264
"1368097"	1842.543924	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H-2H2O"	-35.012676
"1389607"	1860.5539	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H-H2O"	-17.0027
"288199"	3756.120476	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H"	1.007276
"681714"	5633.677076	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H"	1.007276
"1354052"	1878.563876	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H"	1.007276
"129135"	1878.563876	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2H"	2.014552
"569056"	2817.342176	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2H"	2.014552
"1040772"	939.785576	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2H"	2.014552
"212686"	1252.711676	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+3H"	3.021828
"656628"	1878.563876	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+3H"	3.021828
"1174752"	626.859476	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+3H"	3.021828
"434744"	3773.147023	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+NH4"	18.033823
"795738"	5650.703623	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+NH4"	18.033823
"1692069"	1895.590423	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+NH4"	18.033823
"339253"	1887.0771495	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H+NH4"	19.041099
"731676"	2825.8554495	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H+NH4"	19.041099
"1484400"	948.2988495	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+NH4"	19.041099
"401989"	3778.102418	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Na"	22.989218
"766262"	5655.659018	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+Na"	22.989218
"1612174"	1900.545818	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na"	22.989218
"321121"	1889.554847	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H+Na"	23.996494
"714635"	2828.333147	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H+Na"	23.996494
"1465179"	950.776547	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+Na"	23.996494
"1056235"	634.18679	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2H+Na"	25.00377
"1262289"	1910.590086	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+CH3OH+H"	33.033486
"378675"	3794.076358	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+K"	38.963158
"738776"	5671.632958	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+K"	38.963158
"1539906"	1916.519758	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+K"	38.963158
"298890"	1897.541817	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H+K"	39.970434
"692161"	2836.320117	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H+K"	39.970434
"1445863"	958.763517	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+K"	39.970434
"246510"	3797.147026	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+ACN+H"	42.033826
"1225512"	1919.590426	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+ACN+H"	42.033826
"1209868"	960.298851	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+ACN+2H"	43.041102
"204160"	3800.08436	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2Na-H"	44.97116
"643921"	5677.64096	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2Na-H"	44.97116
"1146877"	1922.52776	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2Na-H"	44.97116
"188465"	1900.545818	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2Na"	45.978436
"628449"	2839.324118	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2Na"	45.978436
"1128312"	961.767518	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2Na"	45.978436
"1413950"	641.514104	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+2Na"	46.985712
"1445548"	1924.569346	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+HCOOH"	47.012746
"232554"	1905.57884	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+3H2O+2H"	56.04448
"1524055"	1938.62139	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+IsoProp+H"	61.06479
"421397"	1908.532788	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Na+K"	61.952376
"785480"	2847.311088	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+Na+K"	61.952376
"1679456"	969.754488	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na+K"	61.952376
"267035"	3819.128968	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+ACN+Na"	64.015768
"1237590"	1941.572368	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+ACN+Na"	64.015768
"1727205"	1941.595893	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+NH4+HCOOH"	64.039293
"1187459"	648.841418	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+3Na"	68.967654
"1660632"	1946.551288	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na+HCOOH"	68.994688
"166403"	3832.03224	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2K-H"	76.91904
"605599"	5709.58884	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2K-H"	76.91904
"1087921"	1954.47564	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2K-H"	76.91904
"143274"	1916.519758	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2K"	77.926316
"585754"	2855.298058	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2K"	77.926316
"1070750"	977.741458	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2K"	77.926316
"1101406"	1956.490192	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2K+H"	78.933592
"1339861"	1956.577807	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+DMSO+H"	79.021207
"1010577"	1960.616976	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2ACN+H"	83.060376
"1527608"	1961.610608	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+IsoProp+Na+H"	84.054008
"992965"	980.812126	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+2ACN+2H"	84.067652
"1587463"	1962.525228	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+K+HCOOH"	84.968628
"1424068"	1992.556738	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+CF3COOH"	115.000138
"1155449"	1001.325401	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+3ACN+2H"	125.094202
"1707188"	2009.583285	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+NH4+CF3COOH"	132.026685
"1643934"	2014.53868	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na+CF3COOH"	136.98208
"1575210"	2030.51262	"C12046"	"Teicoplanin A2-2;Teichomycin A2 factor 2"	"C88H97Cl2N9O33"	"1877.5566"	"M+K+CF3COOH"	152.95602
"805577"	889.5289	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M"	0
"983486"	870.51051	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-H2O-H"	-19.01839
"67352"	592.011990666667	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M-3H"	-3.021828
"517369"	888.521624	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M-3H"	-3.021828
"893102"	295.502357333333	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-3H"	-3.021828
"10950"	888.521624	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M-2H"	-2.014552
"451240"	1333.286074	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M-2H"	-2.014552
"819563"	443.757174	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-2H"	-2.014552
"90858"	1778.050524	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M-H"	-1.007276
"533584"	2667.579424	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M-H"	-1.007276
"906402"	888.521624	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-H"	-1.007276
"59317"	1795.077071	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M-2H+NH4"	16.019271
"496328"	2684.605971	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M-2H+NH4"	16.019271
"878505"	905.548171	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-2H+NH4"	16.019271
"39845"	1800.032466	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M-2H+Na"	20.974666
"482687"	2689.561366	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M-2H+Na"	20.974666
"848946"	910.503566	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-2H+Na"	20.974666
"1625648"	910.503566	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Na-2H"	20.974666
"98897"	906.509963	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M-H+Cl"	33.962126
"541738"	1351.274413	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M-H+Cl"	33.962126
"933065"	461.745513	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-H+Cl"	33.962126
"275996"	1814.027202	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+Cl"	34.969402
"662950"	2703.556102	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+Cl"	34.969402
"1276447"	924.498302	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Cl"	34.969402
"22285"	1816.006406	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M-2H+K"	36.948606
"460753"	2705.535306	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M-2H+K"	36.948606
"836370"	926.477506	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-2H+K"	36.948606
"1565327"	926.477506	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+K-2H"	36.948606
"947742"	934.527094	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-H+HCOOH"	44.998194
"369237"	1824.056001	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+HCOOH-H"	44.998201
"354215"	1838.071651	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+Hac-H"	59.013851
"1501954"	948.542751	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Hac-H"	59.013851
"968403"	956.509051	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-H+NaCOOH"	66.980151
"114030"	924.498302	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+2Cl"	69.938804
"556871"	1369.262752	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+2Cl"	69.938804
"1024575"	479.733852	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2Cl"	69.938804
"1245251"	968.447785	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Br"	78.918885
"1305878"	970.503772	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Cl+HCOOH"	80.974872
"1323008"	992.485729	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Cl+NaCOOH"	102.956829
"919536"	1002.514486	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M-H+CF3COOH"	112.985586
"1294055"	1038.491164	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Cl+CF3COOH"	148.962264
"1368936"	854.516224	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H-2H2O"	-35.012676
"1389717"	872.5262	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H-H2O"	-17.0027
"284057"	1780.065076	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+H"	1.007276
"679637"	2669.593976	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+H"	1.007276
"1351975"	890.536176	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H"	1.007276
"125788"	890.536176	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+2H"	2.014552
"565683"	1335.300626	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+2H"	2.014552
"1039059"	445.771726	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2H"	2.014552
"212796"	594.026542666667	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+3H"	3.021828
"651264"	890.536176	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+3H"	3.021828
"1176684"	297.516909333333	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+3H"	3.021828
"435947"	1797.091623	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+NH4"	18.033823
"795849"	2686.620523	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+NH4"	18.033823
"1691086"	907.562723	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+NH4"	18.033823
"339363"	899.0494495	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+H+NH4"	19.041099
"732879"	1343.8138995	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+H+NH4"	19.041099
"1484510"	454.2849995	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H+NH4"	19.041099
"402099"	1802.047018	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+Na"	22.989218
"766372"	2691.575918	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+Na"	22.989218
"1612284"	912.518118	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Na"	22.989218
"321231"	901.527147	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+H+Na"	23.996494
"714746"	1346.291597	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+H+Na"	23.996494
"1466383"	456.762697	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H+Na"	23.996494
"1058532"	304.844223333333	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2H+Na"	25.00377
"1262398"	922.562386	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+CH3OH+H"	33.033486
"378421"	1818.020958	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+K"	38.963158
"738842"	2707.549858	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+K"	38.963158
"1539956"	928.492058	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+K"	38.963158
"298712"	909.514117	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+H+K"	39.970434
"691911"	1354.278567	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+H+K"	39.970434
"1446705"	464.749667	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H+K"	39.970434
"244797"	1821.091626	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+ACN+H"	42.033826
"1215319"	931.562726	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+ACN+H"	42.033826
"1209410"	466.285001	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+ACN+2H"	43.041102
"203992"	1824.02896	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+2Na-H"	44.97116
"643667"	2713.55786	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+2Na-H"	44.97116
"1146487"	934.50006	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2Na-H"	44.97116
"188523"	912.518118	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+2Na"	45.978436
"628420"	1357.282568	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+2Na"	45.978436
"1131056"	467.753668	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2Na"	45.978436
"1413932"	312.171537333333	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H+2Na"	46.985712
"1445408"	936.541646	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H+HCOOH"	47.012746
"235464"	917.55114	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+3H2O+2H"	56.04448
"1523602"	950.59369	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+IsoProp+H"	61.06479
"419320"	920.505088	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+Na+K"	61.952376
"781045"	1365.269538	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+Na+K"	61.952376
"1678470"	475.740638	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Na+K"	61.952376
"263896"	1843.073568	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+ACN+Na"	64.015768
"1237699"	953.544668	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+ACN+Na"	64.015768
"1725491"	953.568193	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+NH4+HCOOH"	64.039293
"1186476"	319.498851333333	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+3Na"	68.967654
"1660742"	958.523588	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Na+HCOOH"	68.994688
"166513"	1855.97684	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+2K-H"	76.91904
"605709"	2745.50574	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+2K-H"	76.91904
"1087303"	966.44794	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2K-H"	76.91904
"142290"	928.492058	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"2M+2K"	77.926316
"586957"	1373.256508	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"3M+2K"	77.926316
"1069646"	483.727608	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2K"	77.926316
"1100180"	968.462492	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2K+H"	78.933592
"1343251"	968.550107	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+DMSO+H"	79.021207
"1008500"	972.589276	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2ACN+H"	83.060376
"1524187"	973.582908	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+IsoProp+Na+H"	84.054008
"994168"	486.798276	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+2ACN+2H"	84.067652
"1587210"	974.497528	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+K+HCOOH"	84.968628
"1426365"	1004.529038	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+H+CF3COOH"	115.000138
"1161393"	507.311551	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+3ACN+2H"	125.094202
"1710580"	1021.555585	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+NH4+CF3COOH"	132.026685
"1646233"	1026.51098	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+Na+CF3COOH"	136.98208
"1581881"	1042.48492	"C12047"	"Nanchangmycin"	"C47H78O14Na"	"889.5289"	"M+K+CF3COOH"	152.95602
"806780"	508.0642	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M"	0
"985783"	489.04581	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-H2O-H"	-19.01839
"75120"	337.702190666667	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M-3H"	-3.021828
"518133"	507.056924	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M-3H"	-3.021828
"894918"	168.347457333333	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-3H"	-3.021828
"13248"	507.056924	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M-2H"	-2.014552
"452079"	761.089024	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M-2H"	-2.014552
"826233"	253.024824	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-2H"	-2.014552
"93776"	1015.121124	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M-H"	-1.007276
"533331"	1523.185324	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M-H"	-1.007276
"911141"	507.056924	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-H"	-1.007276
"62475"	1032.147671	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M-2H+NH4"	16.019271
"498627"	1540.211871	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M-2H+NH4"	16.019271
"876431"	524.083471	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-2H+NH4"	16.019271
"38864"	1037.103066	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M-2H+Na"	20.974666
"479517"	1545.167266	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M-2H+Na"	20.974666
"858412"	529.038866	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-2H+Na"	20.974666
"1627946"	529.038866	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Na-2H"	20.974666
"100101"	525.045263	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M-H+Cl"	33.962126
"545130"	779.077363	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M-H+Cl"	33.962126
"938644"	271.013163	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-H+Cl"	33.962126
"278295"	1051.097802	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+Cl"	34.969402
"669622"	1559.162002	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+Cl"	34.969402
"1280932"	543.033602	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Cl"	34.969402
"20205"	1053.077006	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M-2H+K"	36.948606
"469249"	1561.141206	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M-2H+K"	36.948606
"840856"	545.012806	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-2H+K"	36.948606
"1567624"	545.012806	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+K-2H"	36.948606
"956600"	553.062394	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-H+HCOOH"	44.998194
"372628"	1061.126601	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+HCOOH-H"	44.998201
"357605"	1075.142251	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+Hac-H"	59.013851
"1504619"	567.078051	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Hac-H"	59.013851
"965233"	575.044351	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-H+NaCOOH"	66.980151
"117420"	543.033602	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+2Cl"	69.938804
"554796"	797.065702	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+2Cl"	69.938804
"1026875"	289.001502	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2Cl"	69.938804
"1253018"	586.983085	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Br"	78.918885
"1315466"	589.039072	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Cl+HCOOH"	80.974872
"1330775"	611.021029	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Cl+NaCOOH"	102.956829
"924021"	621.049786	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M-H+CF3COOH"	112.985586
"1301823"	657.026464	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Cl+CF3COOH"	148.962264
"1376702"	473.051524	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H-2H2O"	-35.012676
"1389827"	491.0615	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H-H2O"	-17.0027
"290606"	1017.135676	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+H"	1.007276
"681934"	1525.199876	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+H"	1.007276
"1353543"	509.071476	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H"	1.007276
"127525"	509.071476	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+2H"	2.014552
"566722"	763.103576	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+2H"	2.014552
"1038806"	255.039376	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2H"	2.014552
"209625"	339.716742666667	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+3H"	3.021828
"651374"	509.071476	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+3H"	3.021828
"1177159"	170.362009333333	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+3H"	3.021828
"437150"	1034.162223	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+NH4"	18.033823
"800942"	1542.226423	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+NH4"	18.033823
"1694477"	526.098023	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+NH4"	18.033823
"341661"	517.5847495	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+H+NH4"	19.041099
"735175"	771.6168495	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+H+NH4"	19.041099
"1490817"	263.5526495	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H+NH4"	19.041099
"401113"	1039.117618	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+Na"	22.989218
"765389"	1547.181818	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+Na"	22.989218
"1612395"	531.053418	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Na"	22.989218
"322433"	520.062447	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+H+Na"	23.996494
"718136"	774.094547	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+H+Na"	23.996494
"1471960"	266.030347	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H+Na"	23.996494
"1061924"	177.689323333333	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2H+Na"	25.00377
"1261415"	541.097686	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+CH3OH+H"	33.033486
"382178"	1055.091558	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+K"	38.963158
"742078"	1563.155758	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+K"	38.963158
"1544130"	547.027358	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+K"	38.963158
"301670"	528.049417	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+H+K"	39.970434
"697005"	782.081517	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+H+K"	39.970434
"1450828"	274.017317	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H+K"	39.970434
"238705"	1058.162226	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+ACN+H"	42.033826
"1219801"	550.098026	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+ACN+H"	42.033826
"1203685"	275.552651	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+ACN+2H"	43.041102
"202026"	1061.09956	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+2Na-H"	44.97116
"636117"	1569.16376	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+2Na-H"	44.97116
"1144728"	553.03536	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2Na-H"	44.97116
"186560"	531.053418	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+2Na"	45.978436
"627337"	785.085518	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+2Na"	45.978436
"1129874"	277.021318	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2Na"	45.978436
"1413154"	185.016637333333	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H+2Na"	46.985712
"1444179"	555.076946	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H+HCOOH"	47.012746
"235290"	536.08644	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+3H2O+2H"	56.04448
"1521206"	569.12899	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+IsoProp+H"	61.06479
"422714"	539.040388	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+Na+K"	61.952376
"780793"	793.072488	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+Na+K"	61.952376
"1674936"	285.008288	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Na+K"	61.952376
"262185"	1080.144168	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+ACN+Na"	64.015768
"1235626"	572.079968	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+ACN+Na"	64.015768
"1721595"	572.103493	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+NH4+HCOOH"	64.039293
"1184033"	192.343951333333	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+3Na"	68.967654
"1656479"	577.058888	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Na+HCOOH"	68.994688
"163707"	1093.04744	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+2K-H"	76.91904
"605454"	1601.11164	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+2K-H"	76.91904
"1087413"	584.98324	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2K-H"	76.91904
"143494"	547.027358	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"2M+2K"	77.926316
"585975"	801.059458	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"3M+2K"	77.926316
"1075592"	292.995258	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2K"	77.926316
"1103697"	586.997792	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2K+H"	78.933592
"1340081"	587.085407	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+DMSO+H"	79.021207
"1011892"	591.124576	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2ACN+H"	83.060376
"1524341"	592.118208	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+IsoProp+Na+H"	84.054008
"990387"	296.065926	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+2ACN+2H"	84.067652
"1600084"	593.032828	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+K+HCOOH"	84.968628
"1426113"	623.064338	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+H+CF3COOH"	115.000138
"1158951"	316.579201	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+3ACN+2H"	125.094202
"1709596"	640.090885	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+NH4+CF3COOH"	132.026685
"1644154"	645.04628	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+Na+CF3COOH"	136.98208
"1581991"	661.02022	"C12048"	"Griseorhodin A"	"C25H16O12"	"508.0642"	"M+K+CF3COOH"	152.95602
"802881"	659.2003	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M"	0
"985892"	640.18191	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-H2O-H"	-19.01839
"71950"	438.459590666667	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M-3H"	-3.021828
"514792"	658.193024	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M-3H"	-3.021828
"893686"	218.726157333333	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-3H"	-3.021828
"14450"	658.193024	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M-2H"	-2.014552
"452917"	987.793174	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M-2H"	-2.014552
"823063"	328.592874	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-2H"	-2.014552
"93876"	1317.393324	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M-H"	-1.007276
"533319"	1976.593624	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M-H"	-1.007276
"910157"	658.193024	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-H"	-1.007276
"61850"	1334.419871	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M-2H+NH4"	16.019271
"500197"	1993.620171	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M-2H+NH4"	16.019271
"875448"	675.219571	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-2H+NH4"	16.019271
"42255"	1339.375266	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M-2H+Na"	20.974666
"478534"	1998.575566	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M-2H+Na"	20.974666
"858522"	680.174966	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-2H+Na"	20.974666
"1624776"	680.174966	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Na-2H"	20.974666
"100211"	676.181363	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M-H+Cl"	33.962126
"545240"	1005.781513	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M-H+Cl"	33.962126
"941185"	346.581213	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-H+Cl"	33.962126
"278405"	1353.370002	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+Cl"	34.969402
"669732"	2012.570302	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+Cl"	34.969402
"1279949"	694.169702	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Cl"	34.969402
"20315"	1355.349206	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M-2H+K"	36.948606
"467534"	2014.549506	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M-2H+K"	36.948606
"847043"	696.148906	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-2H+K"	36.948606
"1567734"	696.148906	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+K-2H"	36.948606
"957439"	704.198494	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-H+HCOOH"	44.998194
"369460"	1363.398801	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+HCOOH-H"	44.998201
"357715"	1377.414451	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+Hac-H"	59.013851
"1502178"	718.214151	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Hac-H"	59.013851
"968623"	726.180451	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-H+NaCOOH"	66.980151
"120810"	694.169702	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+2Cl"	69.938804
"560373"	1023.769852	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+2Cl"	69.938804
"1026985"	364.569552	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2Cl"	69.938804
"1249849"	738.119185	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Br"	78.918885
"1315941"	740.175172	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Cl+HCOOH"	80.974872
"1331979"	762.157129	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Cl+NaCOOH"	102.956829
"921944"	772.185886	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M-H+CF3COOH"	112.985586
"1298654"	808.162564	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Cl+CF3COOH"	148.962264
"1376812"	624.187624	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H-2H2O"	-35.012676
"1389937"	642.1976	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H-H2O"	-17.0027
"287436"	1319.407876	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+H"	1.007276
"680951"	1978.608176	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+H"	1.007276
"1354017"	660.207576	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H"	1.007276
"127998"	660.207576	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+2H"	2.014552
"567560"	989.807726	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+2H"	2.014552
"1040008"	330.607426	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2H"	2.014552
"207545"	440.474142666667	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+3H"	3.021828
"653671"	660.207576	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+3H"	3.021828
"1178204"	220.740709333333	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+3H"	3.021828
"437260"	1336.434423	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+NH4"	18.033823
"796069"	1995.634723	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+NH4"	18.033823
"1689117"	677.234123	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+NH4"	18.033823
"339584"	668.7208495	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+H+NH4"	19.041099
"733098"	998.3209995	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+H+NH4"	19.041099
"1491293"	339.1206995	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H+NH4"	19.041099
"401223"	1341.389818	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+Na"	22.989218
"764405"	2000.590118	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+Na"	22.989218
"1612505"	682.189518	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Na"	22.989218
"320357"	671.198547	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+H+Na"	23.996494
"711685"	1000.798697	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+H+Na"	23.996494
"1473167"	341.598397	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H+Na"	23.996494
"1064225"	228.068023333333	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2H+Na"	25.00377
"1261526"	692.233786	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+CH3OH+H"	33.033486
"385569"	1357.363758	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+K"	38.963158
"741095"	2016.564058	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+K"	38.963158
"1545333"	698.163458	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+K"	38.963158
"301417"	679.185517	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+H+K"	39.970434
"696023"	1008.785667	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+H+K"	39.970434
"1449114"	349.585367	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H+K"	39.970434
"238815"	1360.434426	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+ACN+H"	42.033826
"1219911"	701.234126	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+ACN+H"	42.033826
"1203795"	351.120701	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+ACN+2H"	43.041102
"202137"	1363.37176	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+2Na-H"	44.97116
"639507"	2022.57206	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+2Na-H"	44.97116
"1145933"	704.17146	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2Na-H"	44.97116
"187403"	682.189518	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+2Na"	45.978436
"627209"	1011.789668	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+2Na"	45.978436
"1130473"	352.589368	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2Na"	45.978436
"1413513"	235.395337333333	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H+2Na"	46.985712
"1443923"	706.213046	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H+HCOOH"	47.012746
"233981"	687.22254	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+3H2O+2H"	56.04448
"1523750"	720.26509	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+IsoProp+H"	61.06479
"421734"	690.176488	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+Na+K"	61.952376
"783094"	1019.776638	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+Na+K"	61.952376
"1678329"	360.576338	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Na+K"	61.952376
"263026"	1382.416368	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+ACN+Na"	64.015768
"1235007"	723.216068	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+ACN+Na"	64.015768
"1722070"	723.239593	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+NH4+HCOOH"	64.039293
"1184509"	242.722651333333	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+3Na"	68.967654
"1655495"	728.194988	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Na+HCOOH"	68.994688
"163817"	1395.31964	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+2K-H"	76.91904
"605564"	2054.51994	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+2K-H"	76.91904
"1092990"	736.11934	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2K-H"	76.91904
"142270"	698.163458	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"2M+2K"	77.926316
"586084"	1027.763608	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"3M+2K"	77.926316
"1078618"	368.563308	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2K"	77.926316
"1108181"	738.133892	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2K+H"	78.933592
"1343472"	738.221507	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+DMSO+H"	79.021207
"1010910"	742.260676	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2ACN+H"	83.060376
"1532313"	743.254308	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+IsoProp+Na+H"	84.054008
"996574"	371.633976	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+2ACN+2H"	84.067652
"1587795"	744.168928	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+K+HCOOH"	84.968628
"1422210"	774.200438	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+H+CF3COOH"	115.000138
"1159061"	392.147251	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+3ACN+2H"	125.094202
"1709706"	791.226985	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+NH4+CF3COOH"	132.026685
"1644264"	796.18238	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+Na+CF3COOH"	136.98208
"1582101"	812.15632	"C12049"	"Neocarzinostatin chromophore"	"C35H33NO12"	"659.2003"	"M+K+CF3COOH"	152.95602
"814657"	1629.5066	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M"	0
"984909"	1610.48821	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-H2O-H"	-19.01839
"74246"	1085.33045733333	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M-3H"	-3.021828
"518185"	1628.499324	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M-3H"	-3.021828
"894526"	542.161590666667	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-3H"	-3.021828
"13466"	1628.499324	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M-2H"	-2.014552
"451933"	2443.252624	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M-2H"	-2.014552
"822079"	813.746024	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-2H"	-2.014552
"93617"	3258.005924	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M-H"	-1.007276
"531482"	4887.512524	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M-H"	-1.007276
"910752"	1628.499324	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-H"	-1.007276
"60378"	3275.032471	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M-2H+NH4"	16.019271
"500552"	4904.539071	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M-2H+NH4"	16.019271
"878840"	1645.525871	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-2H+NH4"	16.019271
"45645"	3279.987866	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M-2H+Na"	20.974666
"480832"	4909.494466	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M-2H+Na"	20.974666
"859728"	1650.481266	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-2H+Na"	20.974666
"1628168"	1650.481266	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Na-2H"	20.974666
"105789"	1646.487663	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M-H+Cl"	33.962126
"546443"	2461.240963	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M-H+Cl"	33.962126
"938498"	831.734363	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-H+Cl"	33.962126
"280337"	3293.982602	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+Cl"	34.969402
"673124"	4923.489202	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+Cl"	34.969402
"1283340"	1664.476002	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Cl"	34.969402
"21519"	3295.961806	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M-2H+K"	36.948606
"467644"	4925.468406	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M-2H+K"	36.948606
"846543"	1666.455206	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-2H+K"	36.948606
"1570762"	1666.455206	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+K-2H"	36.948606
"956459"	1674.504794	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-H+HCOOH"	44.998194
"371757"	3304.011401	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+HCOOH-H"	44.998201
"357466"	3318.027051	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+Hac-H"	59.013851
"1502286"	1688.520451	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Hac-H"	59.013851
"968732"	1696.486751	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-H+NaCOOH"	66.980151
"123836"	1664.476002	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+2Cl"	69.938804
"558296"	2479.229302	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+2Cl"	69.938804
"1030375"	849.722702	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2Cl"	69.938804
"1253238"	1708.425485	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Br"	78.918885
"1318969"	1710.481472	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Cl+HCOOH"	80.974872
"1333184"	1732.463429	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Cl+NaCOOH"	102.956829
"919869"	1742.492186	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M-H+CF3COOH"	112.985586
"1300952"	1778.468864	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Cl+CF3COOH"	148.962264
"1376922"	1594.493924	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H-2H2O"	-35.012676
"1393333"	1612.5039	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H-H2O"	-17.0027
"289736"	3260.020476	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+H"	1.007276
"684343"	4889.527076	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+H"	1.007276
"1353399"	1630.513876	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H"	1.007276
"128478"	1630.513876	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+2H"	2.014552
"566575"	2445.267176	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+2H"	2.014552
"1042308"	815.760576	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2H"	2.014552
"210943"	1087.34500933333	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+3H"	3.021828
"653784"	1630.513876	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+3H"	3.021828
"1178362"	544.176142666667	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+3H"	3.021828
"439891"	3277.047023	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+NH4"	18.033823
"801166"	4906.553623	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+NH4"	18.033823
"1694697"	1647.540423	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+NH4"	18.033823
"336414"	1639.0271495	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+H+NH4"	19.041099
"736491"	2453.7804495	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+H+NH4"	19.041099
"1491041"	824.2738495	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H+NH4"	19.041099
"404618"	3282.002418	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+Na"	22.989218
"765613"	4911.509018	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+Na"	22.989218
"1611524"	1652.495818	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Na"	22.989218
"323746"	1641.504847	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+H+Na"	23.996494
"712887"	2456.258147	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+H+Na"	23.996494
"1471088"	826.751547	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H+Na"	23.996494
"1061051"	551.503456666667	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2H+Na"	25.00377
"1261636"	1662.540086	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+CH3OH+H"	33.033486
"379117"	3297.976358	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+K"	38.963158
"744487"	4927.482958	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+K"	38.963158
"1540705"	1668.469758	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+K"	38.963158
"299341"	1649.491817	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+H+K"	39.970434
"698326"	2464.245117	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+H+K"	39.970434
"1452147"	834.738517	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H+K"	39.970434
"244034"	3301.047026	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+ACN+H"	42.033826
"1217835"	1671.540426	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+ACN+H"	42.033826
"1207187"	836.273851	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+ACN+2H"	43.041102
"202977"	3303.98436	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+2Na-H"	44.97116
"643595"	4933.49096	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+2Na-H"	44.97116
"1146178"	1674.47776	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2Na-H"	44.97116
"187998"	1652.495818	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+2Na"	45.978436
"628254"	2467.249118	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+2Na"	45.978436
"1130586"	837.742518	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2Na"	45.978436
"1413377"	558.830770666667	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H+2Na"	46.985712
"1444036"	1676.519346	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H+HCOOH"	47.012746
"234700"	1657.52884	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+3H2O+2H"	56.04448
"1521426"	1690.57139	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+IsoProp+H"	61.06479
"418195"	1660.482788	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+Na+K"	61.952376
"783929"	2475.236088	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+Na+K"	61.952376
"1678439"	845.729488	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Na+K"	61.952376
"263136"	3323.028968	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+ACN+Na"	64.015768
"1234750"	1693.522368	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+ACN+Na"	64.015768
"1722543"	1693.545893	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+NH4+HCOOH"	64.039293
"1185712"	566.158084666667	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+3Na"	68.967654
"1661440"	1698.501288	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Na+HCOOH"	68.994688
"169396"	3335.93224	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+2K-H"	76.91904
"608956"	4965.43884	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+2K-H"	76.91904
"1096748"	1706.42564	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2K-H"	76.91904
"152831"	1668.469758	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"2M+2K"	77.926316
"591299"	2483.223058	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"3M+2K"	77.926316
"1079092"	853.716458	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2K"	77.926316
"1107197"	1708.440192	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2K+H"	78.933592
"1345770"	1708.527807	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+DMSO+H"	79.021207
"1016123"	1712.566976	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2ACN+H"	83.060376
"1532424"	1713.560608	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+IsoProp+Na+H"	84.054008
"998872"	856.787126	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+2ACN+2H"	84.067652
"1591187"	1714.475228	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+K+HCOOH"	84.968628
"1427424"	1744.506738	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+H+CF3COOH"	115.000138
"1161728"	877.300401	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+3ACN+2H"	125.094202
"1711275"	1761.533285	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+NH4+CF3COOH"	132.026685
"1649358"	1766.48868	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+Na+CF3COOH"	136.98208
"1582211"	1782.46262	"C12050"	"Everninomycin;Everninomicin"	"C70H97Cl2NO38"	"1629.5066"	"M+K+CF3COOH"	152.95602
"802006"	1143.21	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M"	0
"985019"	1124.19161	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-H2O-H"	-19.01839
"72167"	761.132724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M-3H"	-3.021828
"516104"	1142.202724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M-3H"	-3.021828
"887344"	380.062724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-3H"	-3.021828
"13577"	1142.202724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M-2H"	-2.014552
"452043"	1713.807724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M-2H"	-2.014552
"831304"	570.597724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-2H"	-2.014552
"93362"	2285.412724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M-H"	-1.007276
"532564"	3428.622724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M-H"	-1.007276
"911306"	1142.202724	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-H"	-1.007276
"59395"	2302.439271	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M-2H+NH4"	16.019271
"500054"	3445.649271	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M-2H+NH4"	16.019271
"877491"	1159.229271	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-2H+NH4"	16.019271
"46119"	2307.394666	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M-2H+Na"	20.974666
"484222"	3450.604666	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M-2H+Na"	20.974666
"855462"	1164.184666	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-2H+Na"	20.974666
"1622809"	1164.184666	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Na-2H"	20.974666
"103711"	1160.191063	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M-H+Cl"	33.962126
"544367"	1731.796063	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M-H+Cl"	33.962126
"937878"	588.586063	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-H+Cl"	33.962126
"279718"	2321.389402	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+Cl"	34.969402
"672873"	3464.599402	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+Cl"	34.969402
"1286977"	1178.179402	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Cl"	34.969402
"30021"	2323.368606	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M-2H+K"	36.948606
"468852"	3466.578606	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M-2H+K"	36.948606
"846653"	1180.158606	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-2H+K"	36.948606
"1563580"	1180.158606	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+K-2H"	36.948606
"955837"	1188.208194	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-H+HCOOH"	44.998194
"374054"	2331.418201	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+HCOOH-H"	44.998201
"358668"	2345.433851	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+Hac-H"	59.013851
"1504950"	1202.223851	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Hac-H"	59.013851
"972490"	1210.190151	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-H+NaCOOH"	66.980151
"122128"	1178.179402	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+2Cl"	69.938804
"558406"	1749.784402	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+2Cl"	69.938804
"1032673"	606.574402	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2Cl"	69.938804
"1253348"	1222.128885	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Br"	78.918885
"1316892"	1224.184872	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Cl+HCOOH"	80.974872
"1334756"	1246.166829	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Cl+NaCOOH"	102.956829
"924726"	1256.195586	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M-H+CF3COOH"	112.985586
"1301795"	1292.172264	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Cl+CF3COOH"	148.962264
"1378864"	1108.197324	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H-2H2O"	-35.012676
"1394901"	1126.2073	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H-H2O"	-17.0027
"293126"	2287.427276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+H"	1.007276
"681173"	3430.637276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+H"	1.007276
"1353875"	1144.217276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H"	1.007276
"126763"	1144.217276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+2H"	2.014552
"566688"	1715.822276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+2H"	2.014552
"1044606"	572.612276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2H"	2.014552
"206061"	763.147276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+3H"	3.021828
"650614"	1144.217276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+3H"	3.021828
"1178222"	382.077276	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+3H"	3.021828
"439388"	2304.453823	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+NH4"	18.033823
"801263"	3447.663823	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+NH4"	18.033823
"1694079"	1161.243823	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+NH4"	18.033823
"338711"	1152.7305495	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+H+NH4"	19.041099
"735144"	1724.3355495	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+H+NH4"	19.041099
"1489695"	581.1255495	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H+NH4"	19.041099
"405459"	2309.409218	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+Na"	22.989218
"769654"	3452.619218	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+Na"	22.989218
"1618321"	1166.199218	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Na"	22.989218
"324950"	1155.208247	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+H+Na"	23.996494
"715184"	1726.813247	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+H+Na"	23.996494
"1472657"	583.603247	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H+Na"	23.996494
"1058975"	389.40459	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2H+Na"	25.00377
"1267214"	1176.243486	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+CH3OH+H"	33.033486
"383602"	2325.383158	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+K"	38.963158
"747879"	3468.593158	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+K"	38.963158
"1541910"	1182.173158	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+K"	38.963158
"300909"	1163.195217	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+H+K"	39.970434
"696250"	1734.800217	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+H+K"	39.970434
"1452259"	591.590217	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H+K"	39.970434
"243050"	2328.453826	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+ACN+H"	42.033826
"1224996"	1185.243826	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+ACN+H"	42.033826
"1208029"	593.125551	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+ACN+2H"	43.041102
"204174"	2331.39116	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+2Na-H"	44.97116
"644212"	3474.60116	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+2Na-H"	44.97116
"1145319"	1188.18116	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2Na-H"	44.97116
"188497"	1166.199218	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+2Na"	45.978436
"627193"	1737.804218	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+2Na"	45.978436
"1129971"	594.594218	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2Na"	45.978436
"1412397"	396.731904	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H+2Na"	46.985712
"1445123"	1190.222746	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H+HCOOH"	47.012746
"233475"	1171.23224	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+3H2O+2H"	56.04448
"1523358"	1204.27479	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+IsoProp+H"	61.06479
"419399"	1174.186188	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+Na+K"	61.952376
"784769"	1745.791188	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+Na+K"	61.952376
"1678911"	602.581188	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Na+K"	61.952376
"262882"	2350.435768	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+ACN+Na"	64.015768
"1237050"	1207.225768	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+ACN+Na"	64.015768
"1727029"	1207.249293	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+NH4+HCOOH"	64.039293
"1186916"	404.059218	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+3Na"	68.967654
"1661914"	1212.204688	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Na+HCOOH"	68.994688
"167681"	2363.33904	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+2K-H"	76.91904
"608700"	3506.54904	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+2K-H"	76.91904
"1095399"	1220.12904	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2K-H"	76.91904
"155135"	1182.173158	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"2M+2K"	77.926316
"592503"	1753.778158	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"3M+2K"	77.926316
"1083503"	610.568158	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2K"	77.926316
"1114479"	1222.143592	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2K+H"	78.933592
"1349893"	1222.231207	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+DMSO+H"	79.021207
"1018422"	1226.270376	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2ACN+H"	83.060376
"1535452"	1227.264008	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+IsoProp+Na+H"	84.054008
"1002994"	613.638826	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+2ACN+2H"	84.067652
"1596767"	1228.178628	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+K+HCOOH"	84.968628
"1422428"	1258.210138	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+H+CF3COOH"	115.000138
"1150892"	634.152101	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+3ACN+2H"	125.094202
"1706642"	1275.236685	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+NH4+CF3COOH"	132.026685
"1644479"	1280.19208	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+Na+CF3COOH"	136.98208
"1582321"	1296.16602	"C12051"	"Micrococcin;Micrococcin P1;BRN1070340"	"C48H49N13O9S6"	"1143.21"	"M+K+CF3COOH"	152.95602
"802847"	1141.2308	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M"	0
"985129"	1122.21241	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-H2O-H"	-19.01839
"72277"	759.813257333333	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M-3H"	-3.021828
"517308"	1140.223524	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M-3H"	-3.021828
"887454"	379.402990666667	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-3H"	-3.021828
"13687"	1140.223524	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M-2H"	-2.014552
"452153"	1710.838924	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M-2H"	-2.014552
"828862"	569.608124	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-2H"	-2.014552
"92866"	2281.454324	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M-H"	-1.007276
"529507"	3422.685124	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M-H"	-1.007276
"910604"	1140.223524	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-H"	-1.007276
"62798"	2298.480871	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M-2H+NH4"	16.019271
"500773"	3439.711671	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M-2H+NH4"	16.019271
"877845"	1157.250071	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-2H+NH4"	16.019271
"47089"	2303.436266	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M-2H+Na"	20.974666
"486646"	3444.667066	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M-2H+Na"	20.974666
"861042"	1162.205466	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-2H+Na"	20.974666
"1631302"	1162.205466	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Na-2H"	20.974666
"106008"	1158.211863	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M-H+Cl"	33.962126
"547028"	1728.827263	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M-H+Cl"	33.962126
"934708"	587.596463	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-H+Cl"	33.962126
"278735"	2317.431002	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+Cl"	34.969402
"673347"	3458.661802	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+Cl"	34.969402
"1286843"	1176.200202	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Cl"	34.969402
"28308"	2319.410206	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M-2H+K"	36.948606
"469691"	3460.641006	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M-2H+K"	36.948606
"846399"	1178.179406	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-2H+K"	36.948606
"1563690"	1178.179406	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+K-2H"	36.948606
"952667"	1186.228994	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-H+HCOOH"	44.998194
"371977"	2327.459801	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+HCOOH-H"	44.998201
"358414"	2341.475451	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+Hac-H"	59.013851
"1505789"	1200.244651	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Hac-H"	59.013851
"972599"	1208.210951	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-H+NaCOOH"	66.980151
"124425"	1176.200202	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+2Cl"	69.938804
"563983"	1746.815602	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+2Cl"	69.938804
"1036063"	605.584802	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2Cl"	69.938804
"1255281"	1220.149685	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Br"	78.918885
"1319191"	1222.205672	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Cl+HCOOH"	80.974872
"1335231"	1244.187629	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Cl+NaCOOH"	102.956829
"926656"	1254.216386	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M-H+CF3COOH"	112.985586
"1302269"	1290.193064	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Cl+CF3COOH"	148.962264
"1379701"	1106.218124	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H-2H2O"	-35.012676
"1396829"	1124.2281	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H-H2O"	-17.0027
"293236"	2283.468876	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+H"	1.007276
"684563"	3424.699676	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+H"	1.007276
"1354352"	1142.238076	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H"	1.007276
"129428"	1142.238076	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+2H"	2.014552
"569352"	1712.853476	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+2H"	2.014552
"1047631"	571.622676	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2H"	2.014552
"210428"	761.827809333333	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+3H"	3.021828
"654004"	1142.238076	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+3H"	3.021828
"1178091"	381.417542666667	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+3H"	3.021828
"439662"	2300.495423	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+NH4"	18.033823
"800657"	3441.726223	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+NH4"	18.033823
"1695891"	1159.264623	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+NH4"	18.033823
"339915"	1150.7513495	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+H+NH4"	19.041099
"732337"	1721.3667495	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+H+NH4"	19.041099
"1485064"	580.1359495	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H+NH4"	19.041099
"400464"	2305.450818	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+Na"	22.989218
"760365"	3446.681618	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+Na"	22.989218
"1610652"	1164.220018	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Na"	22.989218
"321781"	1153.229047	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+H+Na"	23.996494
"714200"	1723.844447	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+H+Na"	23.996494
"1473130"	582.613647	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H+Na"	23.996494
"1065647"	388.744856666667	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2H+Na"	25.00377
"1269512"	1174.264286	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+CH3OH+H"	33.033486
"385900"	2321.424758	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+K"	38.963158
"749082"	3462.655558	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+K"	38.963158
"1547855"	1180.193958	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+K"	38.963158
"308309"	1161.216017	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+H+K"	39.970434
"695261"	1731.831417	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+H+K"	39.970434
"1446897"	590.600617	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H+K"	39.970434
"247534"	2324.495426	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+ACN+H"	42.033826
"1219149"	1183.264626	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+ACN+H"	42.033826
"1204126"	592.135951	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+ACN+2H"	43.041102
"201979"	2327.43276	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+2Na-H"	44.97116
"643982"	3468.66356	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+2Na-H"	44.97116
"1146269"	1186.20196	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2Na-H"	44.97116
"187011"	1164.220018	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+2Na"	45.978436
"626930"	1734.835418	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+2Na"	45.978436
"1128982"	593.604618	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2Na"	45.978436
"1412747"	396.072170666667	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H+2Na"	46.985712
"1442798"	1188.243546	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H+HCOOH"	47.012746
"233220"	1169.25304	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+3H2O+2H"	56.04448
"1522014"	1202.29559	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+IsoProp+H"	61.06479
"421338"	1172.206988	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+Na+K"	61.952376
"782329"	1742.822388	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+Na+K"	61.952376
"1679022"	601.591588	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Na+K"	61.952376
"263353"	2346.477368	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+ACN+Na"	64.015768
"1236429"	1205.246568	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+ACN+Na"	64.015768
"1721669"	1205.270093	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+NH4+HCOOH"	64.039293
"1184474"	403.399484666667	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+3Na"	68.967654
"1654728"	1210.225488	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Na+HCOOH"	68.994688
"165237"	2359.38064	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+2K-H"	76.91904
"606255"	3500.61144	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+2K-H"	76.91904
"1093320"	1218.14984	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2K-H"	76.91904
"150136"	1180.193958	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"2M+2K"	77.926316
"592613"	1750.809358	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"3M+2K"	77.926316
"1080406"	609.578558	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2K"	77.926316
"1110335"	1220.164392	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2K+H"	78.933592
"1343804"	1220.252007	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+DMSO+H"	79.021207
"1016344"	1224.291176	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2ACN+H"	83.060376
"1535562"	1225.284808	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+IsoProp+Na+H"	84.054008
"1000187"	612.649226	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+2ACN+2H"	84.067652
"1596878"	1226.199428	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+K+HCOOH"	84.968628
"1422538"	1256.230938	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+H+CF3COOH"	115.000138
"1151730"	633.162501	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+3ACN+2H"	125.094202
"1700191"	1273.257485	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+NH4+CF3COOH"	132.026685
"1644589"	1278.21288	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+Na+CF3COOH"	136.98208
"1582431"	1294.18682	"C12052"	"Thiocillin"	"C49H51N13O8S6"	"1141.2308"	"M+K+CF3COOH"	152.95602
"802956"	1221.1478	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M"	0
"986332"	1202.12941	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-H2O-H"	-19.01839
"72387"	813.091257333333	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M-3H"	-3.021828
"516324"	1220.140524	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M-3H"	-3.021828
"884284"	406.041990666667	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-3H"	-3.021828
"14890"	1220.140524	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M-2H"	-2.014552
"452263"	1830.714424	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M-2H"	-2.014552
"830065"	609.566624	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-2H"	-2.014552
"91516"	2441.288324	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M-H"	-1.007276
"529617"	3662.436124	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M-H"	-1.007276
"910675"	1220.140524	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-H"	-1.007276
"62703"	2458.314871	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M-2H+NH4"	16.019271
"500033"	3679.462671	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M-2H+NH4"	16.019271
"877713"	1237.167071	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-2H+NH4"	16.019271
"46751"	2463.270266	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M-2H+Na"	20.974666
"485906"	3684.418066	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M-2H+Na"	20.974666
"861880"	1242.122466	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-2H+Na"	20.974666
"1630684"	1242.122466	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Na-2H"	20.974666
"106118"	1238.128863	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M-H+Cl"	33.962126
"547503"	1848.702763	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M-H+Cl"	33.962126
"933725"	627.554963	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-H+Cl"	33.962126
"279938"	2477.265002	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+Cl"	34.969402
"674067"	3698.412802	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+Cl"	34.969402
"1285497"	1256.117202	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Cl"	34.969402
"29508"	2479.244206	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M-2H+K"	36.948606
"469680"	3700.392006	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M-2H+K"	36.948606
"843593"	1258.096406	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-2H+K"	36.948606
"1563800"	1258.096406	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+K-2H"	36.948606
"953870"	1266.145994	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-H+HCOOH"	44.998194
"373180"	2487.293801	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+HCOOH-H"	44.998201
"359982"	2501.309451	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+Hac-H"	59.013851
"1506263"	1280.161651	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Hac-H"	59.013851
"970157"	1288.127951	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-H+NaCOOH"	66.980151
"125261"	1256.117202	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+2Cl"	69.938804
"560813"	1866.691102	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+2Cl"	69.938804
"1032893"	645.543302	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2Cl"	69.938804
"1251379"	1300.066685	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Br"	78.918885
"1317111"	1302.122672	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Cl+HCOOH"	80.974872
"1335519"	1324.104629	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Cl+NaCOOH"	102.956829
"926878"	1334.133386	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M-H+CF3COOH"	112.985586
"1302377"	1370.110064	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Cl+CF3COOH"	148.962264
"1381269"	1186.135124	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H-2H2O"	-35.012676
"1394751"	1204.1451	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H-H2O"	-17.0027
"293346"	2443.302876	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+H"	1.007276
"686861"	3664.450676	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+H"	1.007276
"1354462"	1222.155076	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H"	1.007276
"132819"	1222.155076	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+2H"	2.014552
"570557"	1832.728976	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+2H"	2.014552
"1047741"	611.581176	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2H"	2.014552
"210902"	815.105809333333	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+3H"	3.021828
"657884"	1222.155076	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+3H"	3.021828
"1177227"	408.056542666667	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+3H"	3.021828
"438678"	2460.329423	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+NH4"	18.033823
"798701"	3681.477223	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+NH4"	18.033823
"1695640"	1239.181623	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+NH4"	18.033823
"340024"	1230.6683495	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+H+NH4"	19.041099
"732447"	1841.2422495	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+H+NH4"	19.041099
"1486267"	620.0944495	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H+NH4"	19.041099
"401667"	2465.284818	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+Na"	22.989218
"760474"	3686.432618	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+Na"	22.989218
"1610762"	1244.137018	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Na"	22.989218
"321889"	1233.146047	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+H+Na"	23.996494
"714309"	1843.719947	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+H+Na"	23.996494
"1471416"	622.572147	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H+Na"	23.996494
"1063570"	415.383856666667	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2H+Na"	25.00377
"1269989"	1254.181286	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+CH3OH+H"	33.033486
"386010"	2481.258758	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+K"	38.963158
"751380"	3702.406558	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+K"	38.963158
"1549058"	1260.110958	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+K"	38.963158
"304045"	1241.133017	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+H+K"	39.970434
"696467"	1851.706917	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+H+K"	39.970434
"1449192"	630.559117	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H+K"	39.970434
"245457"	2484.329426	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+ACN+H"	42.033826
"1215977"	1263.181626	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+ACN+H"	42.033826
"1200954"	632.094451	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+ACN+2H"	43.041102
"199294"	2487.26676	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+2Na-H"	44.97116
"642505"	3708.41456	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+2Na-H"	44.97116
"1146011"	1266.11896	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2Na-H"	44.97116
"187482"	1244.137018	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+2Na"	45.978436
"626679"	1854.710918	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+2Na"	45.978436
"1129091"	633.563118	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2Na"	45.978436
"1412251"	422.711170666667	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H+2Na"	46.985712
"1442909"	1268.160546	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H+HCOOH"	47.012746
"233698"	1249.17004	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+3H2O+2H"	56.04448
"1522730"	1282.21259	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+IsoProp+H"	61.06479
"421810"	1252.123988	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+Na+K"	61.952376
"783411"	1862.697888	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+Na+K"	61.952376
"1679858"	641.550088	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Na+K"	61.952376
"262368"	2506.311368	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+ACN+Na"	64.015768
"1236174"	1285.163568	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+ACN+Na"	64.015768
"1721779"	1285.187093	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+NH4+HCOOH"	64.039293
"1184217"	430.038484666667	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+3Na"	68.967654
"1659942"	1290.142488	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Na+HCOOH"	68.994688
"169356"	2519.21464	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+2K-H"	76.91904
"609646"	3740.36244	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+2K-H"	76.91904
"1093429"	1298.06684	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2K-H"	76.91904
"154256"	1260.110958	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"2M+2K"	77.926316
"591994"	1870.684858	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"3M+2K"	77.926316
"1075412"	649.537058	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2K"	77.926316
"1111174"	1300.081392	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2K+H"	78.933592
"1340632"	1300.169007	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+DMSO+H"	79.021207
"1014630"	1304.208176	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2ACN+H"	83.060376
"1533849"	1305.201808	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+IsoProp+Na+H"	84.054008
"1000296"	652.607726	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+2ACN+2H"	84.067652
"1594800"	1306.116428	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+K+HCOOH"	84.968628
"1422648"	1336.147938	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+H+CF3COOH"	115.000138
"1148925"	673.121001	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+3ACN+2H"	125.094202
"1700301"	1353.174485	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+NH4+CF3COOH"	132.026685
"1644699"	1358.12988	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+Na+CF3COOH"	136.98208
"1582541"	1374.10382	"C12053"	"Nosiheptide"	"C51H43N13O12S6"	"1221.1478"	"M+K+CF3COOH"	152.95602
"815830"	1663.4924	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M"	0
"986082"	1644.47401	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-H2O-H"	-19.01839
"77240"	1107.98765733333	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M-3H"	-3.021828
"513154"	1662.485124	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M-3H"	-3.021828
"894364"	553.490190666667	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-3H"	-3.021828
"8441"	1662.485124	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M-2H"	-2.014552
"455175"	2494.231324	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M-2H"	-2.014552
"831881"	830.738924	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-2H"	-2.014552
"92843"	3325.977524	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M-H"	-1.007276
"534078"	4989.469924	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M-H"	-1.007276
"910947"	1662.485124	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-H"	-1.007276
"62161"	3343.004071	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M-2H+NH4"	16.019271
"500747"	5006.496471	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M-2H+NH4"	16.019271
"879401"	1679.511671	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-2H+NH4"	16.019271
"46330"	3347.959466	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M-2H+Na"	20.974666
"486013"	5011.451866	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M-2H+Na"	20.974666
"862355"	1684.467066	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-2H+Na"	20.974666
"1630432"	1684.467066	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Na-2H"	20.974666
"107322"	1680.473463	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M-H+Cl"	33.962126
"545787"	2512.219663	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M-H+Cl"	33.962126
"932739"	848.727263	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-H+Cl"	33.962126
"276774"	3361.954202	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+Cl"	34.969402
"669194"	5025.446602	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+Cl"	34.969402
"1282691"	1698.461802	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Cl"	34.969402
"27437"	3363.933406	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M-2H+K"	36.948606
"468090"	5027.425806	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M-2H+K"	36.948606
"844800"	1700.441006	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-2H+K"	36.948606
"1568288"	1700.441006	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+K-2H"	36.948606
"955080"	1708.490594	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-H+HCOOH"	44.998194
"375484"	3371.983001	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+HCOOH-H"	44.998201
"358637"	3385.998651	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+Hac-H"	59.013851
"1507837"	1722.506251	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Hac-H"	59.013851
"973677"	1730.472551	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-H+NaCOOH"	66.980151
"123918"	1698.461802	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+2Cl"	69.938804
"565060"	2530.208002	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+2Cl"	69.938804
"1034831"	866.715602	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2Cl"	69.938804
"1251489"	1742.411285	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Br"	78.918885
"1319051"	1744.467272	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Cl+HCOOH"	80.974872
"1334365"	1766.449229	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Cl+NaCOOH"	102.956829
"925783"	1776.477986	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M-H+CF3COOH"	112.985586
"1303220"	1812.454664	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Cl+CF3COOH"	148.962264
"1381381"	1628.479724	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H-2H2O"	-35.012676
"1397781"	1646.4897	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H-H2O"	-17.0027
"291271"	3327.992076	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+H"	1.007276
"684786"	4991.484476	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+H"	1.007276
"1357854"	1664.499676	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H"	1.007276
"136212"	1664.499676	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+2H"	2.014552
"577960"	2496.245876	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+2H"	2.014552
"1044571"	832.753476	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2H"	2.014552
"208095"	1110.00220933333	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+3H"	3.021828
"658723"	1664.499676	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+3H"	3.021828
"1176737"	555.504742666667	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+3H"	3.021828
"437945"	3345.018623	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+NH4"	18.033823
"799904"	5008.511023	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+NH4"	18.033823
"1695504"	1681.526223	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+NH4"	18.033823
"343786"	1673.0129495	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+H+NH4"	19.041099
"737296"	2504.7591495	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+H+NH4"	19.041099
"1484191"	841.2667495	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H+NH4"	19.041099
"401776"	3349.974018	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+Na"	22.989218
"760584"	5013.466418	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+Na"	22.989218
"1611965"	1686.481618	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Na"	22.989218
"324186"	1675.490647	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+H+Na"	23.996494
"721601"	2507.236847	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+H+Na"	23.996494
"1472988"	843.744447	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H+Na"	23.996494
"1062587"	562.832056666667	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2H+Na"	25.00377
"1266816"	1696.525886	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+CH3OH+H"	33.033486
"382839"	3365.947958	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+K"	38.963158
"748937"	5029.440358	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+K"	38.963158
"1545886"	1702.455558	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+K"	38.963158
"301969"	1683.477617	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+H+K"	39.970434
"694024"	2515.223817	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+H+K"	39.970434
"1450400"	851.731417	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H+K"	39.970434
"250803"	3369.018626	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+ACN+H"	42.033826
"1225210"	1705.526226	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+ACN+H"	42.033826
"1208854"	853.266751	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+ACN+2H"	43.041102
"203669"	3371.95596	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+2Na-H"	44.97116
"643344"	5035.44836	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+2Na-H"	44.97116
"1145521"	1708.46356	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2Na-H"	44.97116
"187347"	1686.481618	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+2Na"	45.978436
"627514"	2518.227818	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+2Na"	45.978436
"1130289"	854.735418	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2Na"	45.978436
"1412602"	570.159370666667	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H+2Na"	46.985712
"1444716"	1710.505146	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H+HCOOH"	47.012746
"234165"	1691.51464	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+3H2O+2H"	56.04448
"1521500"	1724.55719	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+IsoProp+H"	61.06479
"417541"	1694.468588	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+Na+K"	61.952376
"782909"	2526.214788	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+Na+K"	61.952376
"1670494"	862.722388	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Na+K"	61.952376
"260292"	3391.000568	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+ACN+Na"	64.015768
"1230819"	1727.508168	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+ACN+Na"	64.015768
"1718610"	1727.531693	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+NH4+HCOOH"	64.039293
"1188338"	577.486684666667	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+3Na"	68.967654
"1658234"	1732.487088	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Na+HCOOH"	68.994688
"159626"	3403.90384	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+2K-H"	76.91904
"605747"	5067.39624	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+2K-H"	76.91904
"1088073"	1740.41144	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2K-H"	76.91904
"141851"	1702.455558	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"2M+2K"	77.926316
"588824"	2534.201758	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"3M+2K"	77.926316
"1073335"	870.709358	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2K"	77.926316
"1103264"	1742.425992	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2K+H"	78.933592
"1335879"	1742.513607	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+DMSO+H"	79.021207
"1008180"	1746.552776	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2ACN+H"	83.060376
"1524398"	1747.546408	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+IsoProp+Na+H"	84.054008
"992021"	873.780026	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+2ACN+2H"	84.067652
"1588713"	1748.461028	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+K+HCOOH"	84.968628
"1424946"	1778.492538	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+H+CF3COOH"	115.000138
"1162046"	894.293301	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+3ACN+2H"	125.094202
"1712081"	1795.519085	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+NH4+CF3COOH"	132.026685
"1648824"	1800.47448	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+Na+CF3COOH"	136.98208
"1582650"	1816.44842	"C12054"	"Thiostrepton"	"C72H85N19O18S5"	"1663.4924"	"M+K+CF3COOH"	152.95602
"802201"	1244.3189	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M"	0
"986557"	1225.30051	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-H2O-H"	-19.01839
"75891"	828.538657333333	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M-3H"	-3.021828
"513264"	1243.311624	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M-3H"	-3.021828
"893258"	413.765690666667	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-3H"	-3.021828
"8551"	1243.311624	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M-2H"	-2.014552
"454959"	1865.471074	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M-2H"	-2.014552
"831260"	621.152174	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-2H"	-2.014552
"92832"	2487.630524	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M-H"	-1.007276
"534208"	3731.949424	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M-H"	-1.007276
"911280"	1243.311624	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-H"	-1.007276
"62766"	2504.657071	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M-2H+NH4"	16.019271
"502602"	3748.975971	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M-2H+NH4"	16.019271
"879780"	1260.338171	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-2H+NH4"	16.019271
"46895"	2509.612466	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M-2H+Na"	20.974666
"487047"	3753.931366	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M-2H+Na"	20.974666
"862100"	1265.293566	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-2H+Na"	20.974666
"1633335"	1265.293566	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Na-2H"	20.974666
"105245"	1261.299963	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M-H+Cl"	33.962126
"545897"	1883.459413	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M-H+Cl"	33.962126
"935036"	639.140513	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-H+Cl"	33.962126
"272510"	2523.607202	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+Cl"	34.969402
"670397"	3767.926102	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+Cl"	34.969402
"1285716"	1279.288302	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Cl"	34.969402
"25359"	2525.586406	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M-2H+K"	36.948606
"467107"	3769.905306	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M-2H+K"	36.948606
"843815"	1281.267506	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-2H+K"	36.948606
"1566212"	1281.267506	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+K-2H"	36.948606
"955557"	1289.317094	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-H+HCOOH"	44.998194
"372311"	2533.636001	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+HCOOH-H"	44.998201
"360328"	2547.651651	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+Hac-H"	59.013851
"1508110"	1303.332751	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Hac-H"	59.013851
"974153"	1311.299051	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-H+NaCOOH"	66.980151
"125289"	1279.288302	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+2Cl"	69.938804
"565607"	1901.447752	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+2Cl"	69.938804
"1036805"	657.128852	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2Cl"	69.938804
"1251599"	1323.237785	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Br"	78.918885
"1318431"	1325.293772	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Cl+HCOOH"	80.974872
"1334349"	1347.275729	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Cl+NaCOOH"	102.956829
"926135"	1357.304486	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M-H+CF3COOH"	112.985586
"1300411"	1393.281164	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Cl+CF3COOH"	148.962264
"1381977"	1209.306224	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H-2H2O"	-35.012676
"1395704"	1227.3162	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H-H2O"	-17.0027
"287735"	2489.645076	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+H"	1.007276
"680157"	3733.963976	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+H"	1.007276
"1355047"	1245.326176	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H"	1.007276
"135229"	1245.326176	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+2H"	2.014552
"572603"	1867.485626	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+2H"	2.014552
"1046868"	623.166726	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2H"	2.014552
"214768"	830.553209333333	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+3H"	3.021828
"654335"	1245.326176	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+3H"	3.021828
"1177206"	415.780242666667	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+3H"	3.021828
"439712"	2506.671623	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+NH4"	18.033823
"798920"	3750.990523	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+NH4"	18.033823
"1691968"	1262.352723	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+NH4"	18.033823
"345110"	1253.8394495	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+H+NH4"	19.041099
"731574"	1875.9988995	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+H+NH4"	19.041099
"1484301"	631.6799995	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H+NH4"	19.041099
"399701"	2511.627018	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+Na"	22.989218
"762882"	3755.945918	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+Na"	22.989218
"1609886"	1267.308118	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Na"	22.989218
"323202"	1256.317147	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+H+Na"	23.996494
"721952"	1878.476597	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+H+Na"	23.996494
"1475898"	634.157697	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H+Na"	23.996494
"1062697"	423.107556666667	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2H+Na"	25.00377
"1267289"	1277.352386	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+CH3OH+H"	33.033486
"382949"	2527.600958	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+K"	38.963158
"746131"	3771.919858	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+K"	38.963158
"1545996"	1283.282058	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+K"	38.963158
"303173"	1264.304117	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+H+K"	39.970434
"693406"	1886.463567	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+H+K"	39.970434
"1449780"	642.144667	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H+K"	39.970434
"251277"	2530.671626	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+ACN+H"	42.033826
"1225318"	1286.352726	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+ACN+H"	42.033826
"1209329"	643.680001	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+ACN+2H"	43.041102
"203287"	2533.60896	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+2Na-H"	44.97116
"643456"	3777.92786	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+2Na-H"	44.97116
"1145507"	1289.29006	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2Na-H"	44.97116
"187698"	1267.308118	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+2Na"	45.978436
"627504"	1889.467568	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+2Na"	45.978436
"1128940"	645.148668	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2Na"	45.978436
"1412346"	430.434870666667	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H+2Na"	46.985712
"1443124"	1291.331646	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H+HCOOH"	47.012746
"234274"	1272.34114	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+3H2O+2H"	56.04448
"1522338"	1305.38369	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+IsoProp+H"	61.06479
"416558"	1275.295088	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+Na+K"	61.952376
"781925"	1897.454538	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+Na+K"	61.952376
"1674976"	653.135638	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Na+K"	61.952376
"262589"	2552.653568	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+ACN+Na"	64.015768
"1234209"	1308.334668	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+ACN+Na"	64.015768
"1722002"	1308.358193	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+NH4+HCOOH"	64.039293
"1188450"	437.762184666667	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+3Na"	68.967654
"1659436"	1313.313588	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Na+HCOOH"	68.994688
"165203"	2565.55684	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+2K-H"	76.91904
"603670"	3809.87574	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+2K-H"	76.91904
"1090370"	1321.23794	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2K-H"	76.91904
"144999"	1283.282058	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"2M+2K"	77.926316
"588934"	1905.441508	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"3M+2K"	77.926316
"1078549"	661.122608	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2K"	77.926316
"1104468"	1323.252492	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2K+H"	78.933592
"1336718"	1323.340107	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+DMSO+H"	79.021207
"1011570"	1327.379276	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2ACN+H"	83.060376
"1524708"	1328.372908	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+IsoProp+Na+H"	84.054008
"991158"	664.193276	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+2ACN+2H"	84.067652
"1588459"	1329.287528	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+K+HCOOH"	84.968628
"1427244"	1359.319038	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+H+CF3COOH"	115.000138
"1162560"	684.706551	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+3ACN+2H"	125.094202
"1712313"	1376.345585	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+NH4+CF3COOH"	132.026685
"1644924"	1381.30098	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+Na+CF3COOH"	136.98208
"1579480"	1397.27492	"C12055"	"Sulfamycin B"	"C54H52N16O16S2"	"1244.3189"	"M+K+CF3COOH"	152.95602
"813130"	385.2577	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M"	0
"988850"	366.23931	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-H2O-H"	-19.01839
"76001"	255.831190666667	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M-3H"	-3.021828
"513374"	384.250424	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M-3H"	-3.021828
"894461"	127.411957333333	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-3H"	-3.021828
"11941"	384.250424	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M-2H"	-2.014552
"454663"	576.879274	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M-2H"	-2.014552
"832633"	191.621574	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-2H"	-2.014552
"93671"	769.508124	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M-H"	-1.007276
"534140"	1154.765824	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M-H"	-1.007276
"911128"	384.250424	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-H"	-1.007276
"62838"	786.534671	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M-2H+NH4"	16.019271
"502185"	1171.792371	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M-2H+NH4"	16.019271
"878038"	401.276971	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-2H+NH4"	16.019271
"46551"	791.490066	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M-2H+Na"	20.974666
"486683"	1176.747766	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M-2H+Na"	20.974666
"863836"	406.232366	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-2H+Na"	20.974666
"1633888"	406.232366	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Na-2H"	20.974666
"108270"	402.238763	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M-H+Cl"	33.962126
"547100"	594.867613	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M-H+Cl"	33.962126
"938425"	209.609913	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-H+Cl"	33.962126
"276994"	805.484802	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+Cl"	34.969402
"667227"	1190.742502	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+Cl"	34.969402
"1285097"	420.227102	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Cl"	34.969402
"28747"	807.464006	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M-2H+K"	36.948606
"469038"	1192.721706	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M-2H+K"	36.948606
"841738"	422.206306	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-2H+K"	36.948606
"1565228"	422.206306	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+K-2H"	36.948606
"956031"	430.255894	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-H+HCOOH"	44.998194
"372421"	815.513601	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+HCOOH-H"	44.998201
"360681"	829.529251	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+Hac-H"	59.013851
"1507815"	444.271551	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Hac-H"	59.013851
"973532"	452.237851	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-H+NaCOOH"	66.980151
"125356"	420.227102	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+2Cl"	69.938804
"565407"	612.855952	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+2Cl"	69.938804
"1037030"	227.598252	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2Cl"	69.938804
"1254989"	464.176585	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Br"	78.918885
"1318173"	466.232572	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Cl+HCOOH"	80.974872
"1332027"	488.214529	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Cl+NaCOOH"	102.956829
"926001"	498.243286	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M-H+CF3COOH"	112.985586
"1303316"	534.219964	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Cl+CF3COOH"	148.962264
"1382450"	350.245024	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H-2H2O"	-35.012676
"1397271"	368.255	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H-H2O"	-17.0027
"290398"	771.522676	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+H"	1.007276
"678443"	1156.780376	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+H"	1.007276
"1356250"	386.264976	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H"	1.007276
"136432"	386.264976	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+2H"	2.014552
"572714"	578.893826	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+2H"	2.014552
"1049166"	193.636126	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2H"	2.014552
"215973"	257.845742666667	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+3H"	3.021828
"653348"	386.264976	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+3H"	3.021828
"1176953"	129.426509333333	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+3H"	3.021828
"439621"	788.549223	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+NH4"	18.033823
"797936"	1173.806923	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+NH4"	18.033823
"1695724"	403.291523	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+NH4"	18.033823
"344004"	394.7782495	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+H+NH4"	19.041099
"733871"	587.4070995	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+H+NH4"	19.041099
"1485504"	202.1493995	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H+NH4"	19.041099
"400904"	793.504618	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+Na"	22.989218
"761898"	1178.762318	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+Na"	22.989218
"1608902"	408.246918	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Na"	22.989218
"322219"	397.255947	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+H+Na"	23.996494
"722787"	589.884797	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+H+Na"	23.996494
"1476488"	204.627097	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H+Na"	23.996494
"1060621"	136.753823333333	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2H+Na"	25.00377
"1267035"	418.291186	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+CH3OH+H"	33.033486
"387433"	809.478558	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+K"	38.963158
"748428"	1194.736258	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+K"	38.963158
"1550480"	424.220858	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+K"	38.963158
"304377"	405.242917	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+H+K"	39.970434
"695704"	597.871767	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+H+K"	39.970434
"1451713"	212.614067	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H+K"	39.970434
"251023"	812.549226	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+ACN+H"	42.033826
"1225070"	427.291526	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+ACN+H"	42.033826
"1209644"	214.149401	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+ACN+2H"	43.041102
"203927"	815.48656	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+2Na-H"	44.97116
"642964"	1200.74426	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+2Na-H"	44.97116
"1145860"	430.22886	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2Na-H"	44.97116
"188458"	408.246918	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+2Na"	45.978436
"628262"	600.875768	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+2Na"	45.978436
"1130509"	215.618068	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2Na"	45.978436
"1413879"	144.081137333333	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H+2Na"	46.985712
"1445308"	432.270446	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H+HCOOH"	47.012746
"234992"	413.27994	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+3H2O+2H"	56.04448
"1523177"	446.32249	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+IsoProp+H"	61.06479
"422135"	416.233888	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+Na+K"	61.952376
"784708"	608.862738	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+Na+K"	61.952376
"1678366"	223.605038	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Na+K"	61.952376
"264887"	834.531168	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+ACN+Na"	64.015768
"1235412"	449.273468	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+ACN+Na"	64.015768
"1722111"	449.296993	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+NH4+HCOOH"	64.039293
"1188560"	151.408451333333	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+3Na"	68.967654
"1659546"	454.252388	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Na+HCOOH"	68.994688
"160941"	847.43444	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+2K-H"	76.91904
"600500"	1232.69214	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+2K-H"	76.91904
"1091574"	462.17674	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2K-H"	76.91904
"146203"	424.220858	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"2M+2K"	77.926316
"583576"	616.849708	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"3M+2K"	77.926316
"1069664"	231.592008	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2K"	77.926316
"1104579"	464.191292	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2K+H"	78.933592
"1340964"	464.278907	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+DMSO+H"	79.021207
"1009494"	468.318076	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2ACN+H"	83.060376
"1525429"	469.311708	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+IsoProp+Na+H"	84.054008
"1000628"	234.662676	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+2ACN+2H"	84.067652
"1599506"	470.226328	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+K+HCOOH"	84.968628
"1428448"	500.257838	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+H+CF3COOH"	115.000138
"1162506"	255.175951	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+3ACN+2H"	125.094202
"1711572"	517.284385	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+NH4+CF3COOH"	132.026685
"1648314"	522.23978	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+Na+CF3COOH"	136.98208
"1579590"	538.21372	"C12056"	"Actinonin"	"C19H35N3O5"	"385.2577"	"M+K+CF3COOH"	152.95602
"813240"	641.2003	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M"	0
"987503"	622.18191	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-H2O-H"	-19.01839
"72831"	426.459590666667	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M-3H"	-3.021828
"510204"	640.193024	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M-3H"	-3.021828
"892383"	212.726157333333	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-3H"	-3.021828
"8771"	640.193024	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M-2H"	-2.014552
"453435"	960.793174	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M-2H"	-2.014552
"829414"	319.592874	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-2H"	-2.014552
"93417"	1281.393324	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M-H"	-1.007276
"534080"	1922.593624	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M-H"	-1.007276
"911201"	640.193024	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-H"	-1.007276
"62750"	1298.419871	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M-2H+NH4"	16.019271
"502457"	1939.620171	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M-2H+NH4"	16.019271
"879734"	657.219571	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-2H+NH4"	16.019271
"46458"	1303.375266	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M-2H+Na"	20.974666
"486466"	1944.575566	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M-2H+Na"	20.974666
"863655"	662.174966	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-2H+Na"	20.974666
"1630758"	662.174966	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Na-2H"	20.974666
"107287"	658.181363	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M-H+Cl"	33.962126
"545023"	978.781513	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M-H+Cl"	33.962126
"936349"	337.581213	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-H+Cl"	33.962126
"277103"	1317.370002	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+Cl"	34.969402
"667337"	1958.570302	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+Cl"	34.969402
"1280833"	676.169702	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Cl"	34.969402
"30920"	1319.349206	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M-2H+K"	36.948606
"469876"	1960.549506	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M-2H+K"	36.948606
"836380"	678.148906	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-2H+K"	36.948606
"1568616"	678.148906	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+K-2H"	36.948606
"956137"	686.198494	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-H+HCOOH"	44.998194
"371803"	1327.398801	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+HCOOH-H"	44.998201
"359332"	1341.414451	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+Hac-H"	59.013851
"1508127"	700.214151	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Hac-H"	59.013851
"973034"	708.180451	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-H+NaCOOH"	66.980151
"125467"	676.169702	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+2Cl"	69.938804
"565614"	996.769852	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+2Cl"	69.938804
"1036740"	355.569552	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2Cl"	69.938804
"1255099"	720.119185	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Br"	78.918885
"1318649"	722.175172	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Cl+HCOOH"	80.974872
"1333955"	744.157129	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Cl+NaCOOH"	102.956829
"926801"	754.185886	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M-H+CF3COOH"	112.985586
"1303183"	790.162564	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Cl+CF3COOH"	148.962264
"1382074"	606.187624	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H-2H2O"	-35.012676
"1395560"	624.1976	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H-H2O"	-17.0027
"290508"	1283.407876	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+H"	1.007276
"678188"	1924.608176	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+H"	1.007276
"1355267"	642.207576	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H"	1.007276
"136542"	642.207576	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+2H"	2.014552
"573917"	962.807726	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+2H"	2.014552
"1049276"	321.607426	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2H"	2.014552
"217176"	428.474142666667	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+3H"	3.021828
"654551"	642.207576	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+3H"	3.021828
"1178039"	214.740709333333	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+3H"	3.021828
"439651"	1300.434423	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+NH4"	18.033823
"798047"	1941.634723	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+NH4"	18.033823
"1695106"	659.234123	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+NH4"	18.033823
"343386"	650.7208495	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+H+NH4"	19.041099
"733617"	971.3209995	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+H+NH4"	19.041099
"1486707"	330.1206995	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H+NH4"	19.041099
"402107"	1305.389818	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+Na"	22.989218
"763101"	1946.590118	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+Na"	22.989218
"1610105"	664.189518	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Na"	22.989218
"323422"	653.198547	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+H+Na"	23.996494
"722380"	973.798697	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+H+Na"	23.996494
"1476558"	332.598397	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H+Na"	23.996494
"1061824"	222.068023333333	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2H+Na"	25.00377
"1264229"	674.233786	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+CH3OH+H"	33.033486
"388636"	1321.363758	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+K"	38.963158
"750724"	1962.564058	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+K"	38.963158
"1549497"	680.163458	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+K"	38.963158
"301208"	661.185517	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+H+K"	39.970434
"695812"	981.785667	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+H+K"	39.970434
"1450730"	340.585367	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H+K"	39.970434
"250725"	1324.434426	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+ACN+H"	42.033826
"1225586"	683.234126	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+ACN+H"	42.033826
"1209262"	342.120701	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+ACN+2H"	43.041102
"203794"	1327.37176	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+2Na-H"	44.97116
"644099"	1968.57206	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+2Na-H"	44.97116
"1146454"	686.17146	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2Na-H"	44.97116
"188472"	664.189518	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+2Na"	45.978436
"628208"	984.789668	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+2Na"	45.978436
"1130986"	343.589368	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2Na"	45.978436
"1414137"	229.395337333333	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H+2Na"	46.985712
"1444761"	688.213046	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H+HCOOH"	47.012746
"234494"	669.22254	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+3H2O+2H"	56.04448
"1521830"	702.26509	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+IsoProp+H"	61.06479
"421881"	672.176488	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+Na+K"	61.952376
"785060"	992.776638	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+Na+K"	61.952376
"1679570"	351.576338	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Na+K"	61.952376
"262811"	1346.416368	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+ACN+Na"	64.015768
"1235522"	705.216068	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+ACN+Na"	64.015768
"1721129"	705.239593	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+NH4+HCOOH"	64.039293
"1186483"	236.722651333333	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+3Na"	68.967654
"1658563"	710.194988	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Na+HCOOH"	68.994688
"161050"	1359.31964	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+2K-H"	76.91904
"600610"	2000.51994	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+2K-H"	76.91904
"1091684"	718.11934	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2K-H"	76.91904
"146313"	680.163458	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"2M+2K"	77.926316
"583686"	1000.763608	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"3M+2K"	77.926316
"1069651"	359.563308	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2K"	77.926316
"1102501"	720.133892	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2K+H"	78.933592
"1341074"	720.221507	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+DMSO+H"	79.021207
"1008511"	724.260676	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2ACN+H"	83.060376
"1525296"	725.254308	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+IsoProp+Na+H"	84.054008
"1000738"	362.633976	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+2ACN+2H"	84.067652
"1591961"	726.168928	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+K+HCOOH"	84.968628
"1425278"	756.200438	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+H+CF3COOH"	115.000138
"1162129"	383.147251	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+3ACN+2H"	125.094202
"1712698"	773.226985	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+NH4+CF3COOH"	132.026685
"1649155"	778.18238	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+Na+CF3COOH"	136.98208
"1582981"	794.15632	"C12057"	"Cyclothialidine"	"C26H35N5O12S"	"641.2003"	"M+K+CF3COOH"	152.95602
"813350"	223.1208	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M"	0
"986887"	204.10241	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-H2O-H"	-19.01839
"75859"	147.739924	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M-3H"	-3.021828
"517488"	222.113524	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M-3H"	-3.021828
"893586"	73.366324	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-3H"	-3.021828
"8881"	222.113524	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M-2H"	-2.014552
"451723"	333.673924	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M-2H"	-2.014552
"832087"	110.553124	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-2H"	-2.014552
"93532"	445.234324	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M-H"	-1.007276
"533581"	668.355124	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M-H"	-1.007276
"911223"	222.113524	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-H"	-1.007276
"62359"	462.260871	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M-2H+NH4"	16.019271
"498638"	685.381671	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M-2H+NH4"	16.019271
"877894"	239.140071	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-2H+NH4"	16.019271
"46160"	467.216266	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M-2H+Na"	20.974666
"484992"	690.337066	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M-2H+Na"	20.974666
"861336"	244.095466	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-2H+Na"	20.974666
"1623579"	244.095466	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Na-2H"	20.974666
"102295"	240.101863	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M-H+Cl"	33.962126
"544042"	351.662263	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M-H+Cl"	33.962126
"935367"	128.541463	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-H+Cl"	33.962126
"276119"	481.211002	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+Cl"	34.969402
"667447"	704.331802	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+Cl"	34.969402
"1280943"	258.090202	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Cl"	34.969402
"21312"	483.190206	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M-2H+K"	36.948606
"466341"	706.311006	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M-2H+K"	36.948606
"839769"	260.069406	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-2H+K"	36.948606
"1565445"	260.069406	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+K-2H"	36.948606
"954422"	268.118994	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-H+HCOOH"	44.998194
"375557"	491.239801	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+HCOOH-H"	44.998201
"357615"	505.255451	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+Hac-H"	59.013851
"1505354"	282.134651	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Hac-H"	59.013851
"971804"	290.100951	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-H+NaCOOH"	66.980151
"121440"	258.090202	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+2Cl"	69.938804
"562094"	369.650602	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+2Cl"	69.938804
"1034174"	146.529802	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2Cl"	69.938804
"1254846"	302.039685	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Br"	78.918885
"1319120"	304.095672	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Cl+HCOOH"	80.974872
"1332976"	326.077629	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Cl+NaCOOH"	102.956829
"925126"	336.106386	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M-H+CF3COOH"	112.985586
"1301470"	372.083064	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Cl+CF3COOH"	148.962264
"1381453"	188.108124	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H-2H2O"	-35.012676
"1396034"	206.1181	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H-H2O"	-17.0027
"290618"	447.248876	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+H"	1.007276
"680120"	670.369676	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+H"	1.007276
"1356109"	224.128076	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H"	1.007276
"136652"	224.128076	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+2H"	2.014552
"570747"	335.688476	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+2H"	2.014552
"1042826"	112.567676	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2H"	2.014552
"210726"	149.754476	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+3H"	3.021828
"654661"	224.128076	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+3H"	3.021828
"1177900"	75.380876	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+3H"	3.021828
"437526"	464.275423	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+NH4"	18.033823
"799248"	687.396223	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+NH4"	18.033823
"1694852"	241.154623	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+NH4"	18.033823
"343131"	232.6413495	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+H+NH4"	19.041099
"733727"	344.2017495	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+H+NH4"	19.041099
"1487909"	121.0809495	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H+NH4"	19.041099
"401122"	469.230818	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+Na"	22.989218
"761023"	692.351618	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+Na"	22.989218
"1615317"	246.110018	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Na"	22.989218
"325720"	235.119047	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+H+Na"	23.996494
"722163"	346.679447	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+H+Na"	23.996494
"1475133"	123.558647	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H+Na"	23.996494
"1064121"	82.70819	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2H+Na"	25.00377
"1266527"	256.154286	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+CH3OH+H"	33.033486
"388018"	485.204758	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+K"	38.963158
"751567"	708.325558	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+K"	38.963158
"1549607"	262.083958	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+K"	38.963158
"303867"	243.106017	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+H+K"	39.970434
"697020"	354.666417	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+H+K"	39.970434
"1454116"	131.545617	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H+K"	39.970434
"250750"	488.275426	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+ACN+H"	42.033826
"1225583"	265.154626	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+ACN+H"	42.033826
"1209530"	133.080951	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+ACN+2H"	43.041102
"203860"	491.21276	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+2Na-H"	44.97116
"642325"	714.33356	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+2Na-H"	44.97116
"1145833"	268.09196	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2Na-H"	44.97116
"187300"	246.110018	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+2Na"	45.978436
"624675"	357.670418	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+2Na"	45.978436
"1126721"	134.549618	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2Na"	45.978436
"1411338"	90.035504	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H+2Na"	46.985712
"1439080"	270.133546	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H+HCOOH"	47.012746
"232419"	251.14304	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+3H2O+2H"	56.04448
"1522307"	284.18559	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+IsoProp+H"	61.06479
"419441"	254.096988	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+Na+K"	61.952376
"781161"	365.657388	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+Na+K"	61.952376
"1678954"	142.536588	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Na+K"	61.952376
"264016"	510.257368	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+ACN+Na"	64.015768
"1235632"	287.136568	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+ACN+Na"	64.015768
"1720146"	287.160093	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+NH4+HCOOH"	64.039293
"1186593"	97.362818	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+3Na"	68.967654
"1657579"	292.115488	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Na+HCOOH"	68.994688
"161160"	523.16064	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+2K-H"	76.91904
"604001"	746.28144	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+2K-H"	76.91904
"1091794"	300.03984	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2K-H"	76.91904
"144236"	262.083958	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"2M+2K"	77.926316
"585617"	373.644358	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"3M+2K"	77.926316
"1070493"	150.523558	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2K"	77.926316
"1102612"	302.054392	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2K+H"	78.933592
"1341184"	302.142007	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+DMSO+H"	79.021207
"1008620"	306.181176	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2ACN+H"	83.060376
"1525287"	307.174808	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+IsoProp+Na+H"	84.054008
"999756"	153.594226	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+2ACN+2H"	84.067652
"1592071"	308.089428	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+K+HCOOH"	84.968628
"1426484"	338.120938	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+H+CF3COOH"	115.000138
"1160052"	174.107501	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+3ACN+2H"	125.094202
"1711792"	355.147485	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+NH4+CF3COOH"	132.026685
"1647441"	360.10288	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+Na+CF3COOH"	136.98208
"1579810"	376.07682	"C12058"	"Cerulenin"	"C12H17NO3"	"223.1208"	"M+K+CF3COOH"	152.95602
"802072"	287.9512	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M"	0
"988334"	268.93281	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-H2O-H"	-19.01839
"76698"	190.960190666667	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M-3H"	-3.021828
"517232"	286.943924	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M-3H"	-3.021828
"893335"	94.9764573333333	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-3H"	-3.021828
"13732"	286.943924	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M-2H"	-2.014552
"454267"	430.919524	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M-2H"	-2.014552
"831709"	142.968324	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-2H"	-2.014552
"93523"	574.895124	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M-H"	-1.007276
"533896"	862.846324	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M-H"	-1.007276
"911295"	286.943924	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-H"	-1.007276
"62580"	591.921671	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M-2H+NH4"	16.019271
"500452"	879.872871	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M-2H+NH4"	16.019271
"875452"	303.970471	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-2H+NH4"	16.019271
"46639"	596.877066	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M-2H+Na"	20.974666
"484617"	884.828266	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M-2H+Na"	20.974666
"857437"	308.925866	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-2H+Na"	20.974666
"1624784"	308.925866	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Na-2H"	20.974666
"101311"	304.932263	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M-H+Cl"	33.962126
"543058"	448.907863	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M-H+Cl"	33.962126
"932196"	160.956663	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-H+Cl"	33.962126
"279145"	610.871802	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+Cl"	34.969402
"670837"	898.823002	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+Cl"	34.969402
"1283240"	322.920602	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Cl"	34.969402
"25795"	612.851006	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M-2H+K"	36.948606
"468638"	900.802206	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M-2H+K"	36.948606
"843161"	324.899806	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-2H+K"	36.948606
"1568840"	324.899806	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+K-2H"	36.948606
"955627"	332.949394	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-H+HCOOH"	44.998194
"375304"	620.900601	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+HCOOH-H"	44.998201
"360282"	634.916251	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+Hac-H"	59.013851
"1504371"	346.965051	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Hac-H"	59.013851
"970090"	354.931351	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-H+NaCOOH"	66.980151
"121550"	322.920602	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+2Cl"	69.938804
"556007"	466.896202	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+2Cl"	69.938804
"1034284"	178.945002	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2Cl"	69.938804
"1252040"	366.870085	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Br"	78.918885
"1317776"	368.926072	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Cl+HCOOH"	80.974872
"1331264"	390.908029	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Cl+NaCOOH"	102.956829
"923778"	400.936786	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M-H+CF3COOH"	112.985586
"1299393"	436.913464	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Cl+CF3COOH"	148.962264
"1380104"	252.938524	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H-2H2O"	-35.012676
"1395416"	270.9485	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H-H2O"	-17.0027
"291820"	576.909676	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+H"	1.007276
"678409"	864.860876	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+H"	1.007276
"1354757"	288.958476	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H"	1.007276
"128378"	288.958476	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+2H"	2.014552
"574138"	432.934076	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+2H"	2.014552
"1042936"	144.982876	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2H"	2.014552
"211929"	192.974742666667	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+3H"	3.021828
"651491"	288.958476	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+3H"	3.021828
"1174720"	96.9910093333333	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+3H"	3.021828
"439338"	593.936223	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+NH4"	18.033823
"799964"	881.887423	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+NH4"	18.033823
"1695329"	305.985023	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+NH4"	18.033823
"343241"	297.4717495	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+H+NH4"	19.041099
"736026"	441.4473495	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+H+NH4"	19.041099
"1489115"	153.4961495	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H+NH4"	19.041099
"403418"	598.891618	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+Na"	22.989218
"761133"	886.842818	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+Na"	22.989218
"1605950"	310.940418	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Na"	22.989218
"326924"	299.949447	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+H+Na"	23.996494
"722157"	443.925047	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+H+Na"	23.996494
"1475850"	155.973847	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H+Na"	23.996494
"1065328"	104.318323333333	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2H+Na"	25.00377
"1269920"	320.984686	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+CH3OH+H"	33.033486
"390682"	614.865558	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+K"	38.963158
"753627"	902.816758	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+K"	38.963158
"1552271"	326.914358	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+K"	38.963158
"305071"	307.936417	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+H+K"	39.970434
"700046"	451.912017	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+H+K"	39.970434
"1450948"	163.960817	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H+K"	39.970434
"251108"	617.936226	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+ACN+H"	42.033826
"1224786"	329.985026	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+ACN+H"	42.033826
"1209277"	165.496151	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+ACN+2H"	43.041102
"203365"	620.87356	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+2Na-H"	44.97116
"642077"	908.82476	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+2Na-H"	44.97116
"1144492"	332.92236	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2Na-H"	44.97116
"186684"	310.940418	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+2Na"	45.978436
"626973"	454.916018	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+2Na"	45.978436
"1128658"	166.964818	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2Na"	45.978436
"1411815"	111.645637333333	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H+2Na"	46.985712
"1443199"	334.963946	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H+HCOOH"	47.012746
"232893"	315.97344	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+3H2O+2H"	56.04448
"1522782"	349.01599	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+IsoProp+H"	61.06479
"420644"	318.927388	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+Na+K"	61.952376
"780910"	462.902988	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+Na+K"	61.952376
"1678702"	174.951788	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Na+K"	61.952376
"261939"	639.918168	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+ACN+Na"	64.015768
"1236838"	351.966968	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+ACN+Na"	64.015768
"1716976"	351.990493	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+NH4+HCOOH"	64.039293
"1185611"	118.972951333333	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+3Na"	68.967654
"1660607"	356.945888	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Na+HCOOH"	68.994688
"159084"	652.82144	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+2K-H"	76.91904
"604111"	940.77264	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+2K-H"	76.91904
"1089718"	364.87024	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2K-H"	76.91904
"148357"	326.914358	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"2M+2K"	77.926316
"584997"	470.889958	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"3M+2K"	77.926316
"1073886"	182.938758	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2K"	77.926316
"1108190"	366.884792	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2K+H"	78.933592
"1344575"	366.972407	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+DMSO+H"	79.021207
"1012012"	371.011576	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2ACN+H"	83.060376
"1531231"	372.005208	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+IsoProp+Na+H"	84.054008
"1002053"	186.009426	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+2ACN+2H"	84.067652
"1592181"	372.919828	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+K+HCOOH"	84.968628
"1427688"	402.951338	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+H+CF3COOH"	115.000138
"1160895"	206.522701	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+3ACN+2H"	125.094202
"1712591"	419.977885	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+NH4+CF3COOH"	132.026685
"1648644"	424.93328	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+Na+CF3COOH"	136.98208
"1579920"	440.90722	"C12059"	"Triclosan"	"C12H7Cl3O2"	"287.9512"	"M+K+CF3COOH"	152.95602
"816490"	418.2369	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M"	0
"987107"	399.21851	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-H2O-H"	-19.01839
"77537"	277.817324	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M-3H"	-3.021828
"510534"	417.229624	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M-3H"	-3.021828
"894536"	138.405024	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-3H"	-3.021828
"14940"	417.229624	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M-2H"	-2.014552
"455035"	626.348074	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M-2H"	-2.014552
"832305"	208.111174	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-2H"	-2.014552
"92547"	835.466524	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M-H"	-1.007276
"533563"	1253.703424	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M-H"	-1.007276
"909668"	417.229624	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-H"	-1.007276
"61730"	852.493071	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M-2H+NH4"	16.019271
"501774"	1270.729971	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M-2H+NH4"	16.019271
"878848"	434.256171	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-2H+NH4"	16.019271
"46589"	857.448466	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M-2H+Na"	20.974666
"485944"	1275.685366	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M-2H+Na"	20.974666
"862529"	439.211566	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-2H+Na"	20.974666
"1631819"	439.211566	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Na-2H"	20.974666
"109240"	435.217963	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M-H+Cl"	33.962126
"542076"	644.336413	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M-H+Cl"	33.962126
"939973"	226.099513	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-H+Cl"	33.962126
"279619"	871.443202	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+Cl"	34.969402
"667667"	1289.680102	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+Cl"	34.969402
"1284443"	453.206302	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Cl"	34.969402
"29187"	873.422406	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M-2H+K"	36.948606
"465467"	1291.659306	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M-2H+K"	36.948606
"847648"	455.185506	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-2H+K"	36.948606
"1568584"	455.185506	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+K-2H"	36.948606
"951364"	463.235094	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-H+HCOOH"	44.998194
"370674"	881.472001	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+HCOOH-H"	44.998201
"357839"	895.487651	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+Hac-H"	59.013851
"1505579"	477.250751	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Hac-H"	59.013851
"971662"	485.217051	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-H+NaCOOH"	66.980151
"118748"	453.206302	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+2Cl"	69.938804
"561589"	662.324752	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+2Cl"	69.938804
"1034763"	244.087852	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2Cl"	69.938804
"1254343"	497.155785	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Br"	78.918885
"1316791"	499.211772	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Cl+HCOOH"	80.974872
"1332099"	521.193729	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Cl+NaCOOH"	102.956829
"923159"	531.222486	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M-H+CF3COOH"	112.985586
"1300961"	567.199164	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Cl+CF3COOH"	148.962264
"1380219"	383.224224	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H-2H2O"	-35.012676
"1395525"	401.2342	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H-H2O"	-17.0027
"291931"	837.481076	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+H"	1.007276
"679977"	1255.717976	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+H"	1.007276
"1356327"	419.244176	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H"	1.007276
"137969"	419.244176	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+2H"	2.014552
"577163"	628.362626	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+2H"	2.014552
"1049607"	210.125726	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2H"	2.014552
"218968"	279.831876	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+3H"	3.021828
"658898"	419.244176	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+3H"	3.021828
"1176289"	140.419576	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+3H"	3.021828
"439206"	854.507623	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+NH4"	18.033823
"800557"	1272.744523	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+NH4"	18.033823
"1696839"	436.270723	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+NH4"	18.033823
"343351"	427.7574495	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+H+NH4"	19.041099
"736867"	636.8758995	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+H+NH4"	19.041099
"1489225"	218.6389995	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H+NH4"	19.041099
"404624"	859.463018	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+Na"	22.989218
"767079"	1277.699918	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+Na"	22.989218
"1615176"	441.226118	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Na"	22.989218
"327037"	430.235147	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+H+Na"	23.996494
"718374"	639.353597	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+H+Na"	23.996494
"1468911"	221.116697	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H+Na"	23.996494
"1061060"	147.74689	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2H+Na"	25.00377
"1268205"	451.270386	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+CH3OH+H"	33.033486
"390789"	875.436958	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+K"	38.963158
"745586"	1293.673858	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+K"	38.963158
"1546549"	457.200058	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+K"	38.963158
"304089"	438.222117	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+H+K"	39.970434
"699429"	647.340567	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+H+K"	39.970434
"1460675"	229.103667	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H+K"	39.970434
"249881"	878.507626	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+ACN+H"	42.033826
"1224657"	460.270726	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+ACN+H"	42.033826
"1208298"	230.639001	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+ACN+2H"	43.041102
"202265"	881.44496	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+2Na-H"	44.97116
"641824"	1299.68186	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+2Na-H"	44.97116
"1145209"	463.20806	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2Na-H"	44.97116
"184611"	441.226118	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+2Na"	45.978436
"626357"	650.344568	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+2Na"	45.978436
"1129741"	232.107668	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2Na"	45.978436
"1412290"	155.074204	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H+2Na"	46.985712
"1444408"	465.249646	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H+HCOOH"	47.012746
"234470"	446.25914	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+3H2O+2H"	56.04448
"1522899"	479.30169	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+IsoProp+H"	61.06479
"423678"	449.213088	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+Na+K"	61.952376
"784550"	658.331538	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+Na+K"	61.952376
"1678813"	240.094638	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Na+K"	61.952376
"262052"	900.489568	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+ACN+Na"	64.015768
"1234396"	482.252668	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+ACN+Na"	64.015768
"1718179"	482.276193	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+NH4+HCOOH"	64.039293
"1185720"	162.401518	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+3Na"	68.967654
"1656702"	487.231588	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Na+HCOOH"	68.994688
"162472"	913.39284	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+2K-H"	76.91904
"599482"	1331.62974	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+2K-H"	76.91904
"1088731"	495.15594	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2K-H"	76.91904
"146641"	457.200058	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"2M+2K"	77.926316
"585112"	666.318508	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"3M+2K"	77.926316
"1069986"	248.081608	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2K"	77.926316
"1103928"	497.170492	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2K+H"	78.933592
"1337881"	497.258107	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+DMSO+H"	79.021207
"1008843"	501.297276	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2ACN+H"	83.060376
"1525630"	502.290908	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+IsoProp+Na+H"	84.054008
"997790"	251.152276	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+2ACN+2H"	84.067652
"1592293"	503.205528	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+K+HCOOH"	84.968628
"1422328"	533.237038	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+H+CF3COOH"	115.000138
"1160272"	271.665551	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+3ACN+2H"	125.094202
"1708732"	550.263585	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+NH4+CF3COOH"	132.026685
"1647661"	555.21898	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+Na+CF3COOH"	136.98208
"1580030"	571.19292	"C12062"	"Naphthyl dipeptide"	"C25H30N4O2"	"418.2369"	"M+K+CF3COOH"	152.95602
"815141"	152.0473	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M"	0
"983935"	133.02891	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"63672"	100.357590666667	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"510647"	151.040024	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"890640"	49.6751573333333	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"14320"	151.040024	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"455573"	227.063674	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"831326"	75.016374	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"94115"	303.087324	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"532453"	455.134624	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"911234"	151.040024	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"62332"	320.113871	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"501153"	472.161171	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"879321"	168.066571	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"45764"	325.069266	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"484230"	477.116566	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"855471"	173.021966	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1630470"	173.021966	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"103719"	169.028363	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"537814"	245.052013	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"936798"	93.004713	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"277541"	339.064002	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"664494"	491.111302	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1276898"	187.016702	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"29298"	341.043206	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"467765"	493.090506	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"842287"	188.995906	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1567599"	188.995906	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"956576"	197.045494	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"375160"	349.092801	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"360135"	363.108451	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1500219"	211.061151	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"969949"	219.027451	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"123231"	187.016702	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"564250"	263.040352	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1032686"	110.993052	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1250076"	230.966185	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1314714"	233.022172	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1331115"	255.004129	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"923269"	265.032886	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1301800"	301.009564	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1379963"	117.034624	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1394906"	135.0446	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"294226"	305.101876	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"682274"	457.149176	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1355341"	153.054576	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"134793"	153.054576	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"575817"	229.078226	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1048261"	77.030926	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"213974"	102.372142666667	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"656087"	153.054576	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1174576"	51.6897093333333	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"432017"	322.128423	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"797387"	474.175723	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1695541"	170.081123	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"339809"	161.5678495	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"736243"	237.5914995	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1490063"	85.5441995	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"401452"	327.083818	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"760259"	479.131118	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1616019"	175.036518	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"324970"	164.045547	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"717389"	240.069197	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1469021"	88.021897	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1064453"	59.0170233333333	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1267224"	185.080786	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"386891"	343.057758	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"742782"	495.105058	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1547754"	191.010458	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"307117"	172.032517	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"702455"	248.056167	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1461110"	96.008867	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"251169"	346.128426	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1225329"	194.081126	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1209788"	97.544201	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"203588"	349.06576	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"643634"	501.11306	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1144710"	197.01846	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"186541"	175.036518	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"626102"	251.060168	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1129606"	99.012868	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1412036"	66.3443373333333	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1443792"	199.060046	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"234581"	180.06954	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1521915"	213.11209	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"423421"	183.023488	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"784054"	259.047138	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1677467"	106.999838	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"263989"	368.110368	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1235963"	216.063068	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1716103"	216.086593	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1182549"	73.6716513333333	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1656812"	221.041988	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"164770"	381.01364	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"598985"	533.06094	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1087749"	228.96634	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"151128"	191.010458	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"589594"	267.034108	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1074107"	114.986808	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1102943"	230.980892	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1345890"	231.068507	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1014419"	235.107676	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1525253"	236.101308	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"991702"	118.057476	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1592402"	237.015928	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1420250"	267.047438	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1159288"	138.570751	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1710663"	284.073985	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1647407"	289.02938	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1580140"	305.00332	"C12064"	"Resorcinol monoacetate"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"816103"	493.3226	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M"	0
"984045"	474.30421	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-H2O-H"	-19.01839
"64633"	327.874457333333	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M-3H"	-3.021828
"510757"	492.315324	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M-3H"	-3.021828
"892936"	163.433590666667	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-3H"	-3.021828
"15160"	492.315324	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M-2H"	-2.014552
"455653"	738.976624	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M-2H"	-2.014552
"829250"	245.654024	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-2H"	-2.014552
"93252"	985.637924	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M-H"	-1.007276
"533543"	1478.960524	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M-H"	-1.007276
"910977"	492.315324	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-H"	-1.007276
"61709"	1002.664471	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M-2H+NH4"	16.019271
"502685"	1495.987071	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M-2H+NH4"	16.019271
"877970"	509.341871	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-2H+NH4"	16.019271
"47094"	1007.619866	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M-2H+Na"	20.974666
"487041"	1500.942466	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M-2H+Na"	20.974666
"861776"	514.297266	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-2H+Na"	20.974666
"1631310"	514.297266	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Na-2H"	20.974666
"103830"	510.303663	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M-H+Cl"	33.962126
"548498"	756.964963	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M-H+Cl"	33.962126
"936908"	263.642363	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-H+Cl"	33.962126
"271092"	1021.614602	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+Cl"	34.969402
"664606"	1514.937202	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+Cl"	34.969402
"1277008"	528.292002	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Cl"	34.969402
"27221"	1023.593806	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M-2H+K"	36.948606
"467875"	1516.916406	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M-2H+K"	36.948606
"842397"	530.271206	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-2H+K"	36.948606
"1568802"	530.271206	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+K-2H"	36.948606
"956322"	538.320794	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-H+HCOOH"	44.998194
"374176"	1031.643401	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+HCOOH-H"	44.998201
"359153"	1045.659051	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+Hac-H"	59.013851
"1498141"	552.336451	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Hac-H"	59.013851
"962404"	560.302751	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-H+NaCOOH"	66.980151
"122246"	528.292002	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+2Cl"	69.938804
"559619"	774.953302	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+2Cl"	69.938804
"1034982"	281.630702	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2Cl"	69.938804
"1251279"	572.241485	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Br"	78.918885
"1317010"	574.297472	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Cl+HCOOH"	80.974872
"1332318"	596.279429	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Cl+NaCOOH"	102.956829
"924472"	606.308186	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M-H+CF3COOH"	112.985586
"1301545"	642.284864	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Cl+CF3COOH"	148.962264
"1380435"	458.309924	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H-2H2O"	-35.012676
"1395016"	476.3199	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H-H2O"	-17.0027
"294336"	987.652476	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+H"	1.007276
"681291"	1480.975076	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+H"	1.007276
"1355815"	494.329876	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H"	1.007276
"132715"	494.329876	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+2H"	2.014552
"575924"	740.991176	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+2H"	2.014552
"1049099"	247.668576	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2H"	2.014552
"214082"	329.889009333333	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+3H"	3.021828
"656804"	494.329876	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+3H"	3.021828
"1173228"	165.448142666667	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+3H"	3.021828
"434315"	1004.679023	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+NH4"	18.033823
"799690"	1498.001623	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+NH4"	18.033823
"1694562"	511.356423	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+NH4"	18.033823
"339920"	502.8431495	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+H+NH4"	19.041099
"736353"	749.5044495	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+H+NH4"	19.041099
"1490173"	256.1818495	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H+NH4"	19.041099
"405940"	1009.634418	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+Na"	22.989218
"768028"	1502.957018	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+Na"	22.989218
"1617467"	516.311818	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Na"	22.989218
"325078"	505.320847	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+H+Na"	23.996494
"714219"	751.982147	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+H+Na"	23.996494
"1467306"	258.659547	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H+Na"	23.996494
"1060190"	172.775456666667	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2H+Na"	25.00377
"1262961"	526.356086	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+CH3OH+H"	33.033486
"382627"	1025.608358	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+K"	38.963158
"744714"	1518.930958	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+K"	38.963158
"1547865"	532.285758	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+K"	38.963158
"313063"	513.307817	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+H+K"	39.970434
"706825"	759.969117	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+H+K"	39.970434
"1460404"	266.646517	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H+K"	39.970434
"249369"	1028.679026	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+ACN+H"	42.033826
"1224265"	535.356426	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+ACN+H"	42.033826
"1208151"	268.181851	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+ACN+2H"	43.041102
"202846"	1031.61636	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+2Na-H"	44.97116
"642410"	1524.93896	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+2Na-H"	44.97116
"1145184"	538.29376	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2Na-H"	44.97116
"186895"	516.311818	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+2Na"	45.978436
"626579"	762.973118	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+2Na"	45.978436
"1130083"	269.650518	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2Na"	45.978436
"1410323"	180.102770666667	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H+2Na"	46.985712
"1445277"	540.335346	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H+HCOOH"	47.012746
"235178"	521.34484	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+3H2O+2H"	56.04448
"1523928"	554.38739	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+IsoProp+H"	61.06479
"422072"	524.298788	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+Na+K"	61.952376
"784160"	770.960088	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+Na+K"	61.952376
"1678305"	277.637488	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Na+K"	61.952376
"264463"	1050.660968	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+ACN+Na"	64.015768
"1237169"	557.338368	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+ACN+Na"	64.015768
"1716213"	557.361893	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+NH4+HCOOH"	64.039293
"1184848"	187.430084666667	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+3Na"	68.967654
"1659110"	562.317288	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Na+HCOOH"	68.994688
"165974"	1063.56424	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+2K-H"	76.91904
"605535"	1556.88684	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+2K-H"	76.91904
"1092234"	570.24164	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2K-H"	76.91904
"151238"	532.285758	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"2M+2K"	77.926316
"589704"	778.947058	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"3M+2K"	77.926316
"1075310"	285.624458	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2K"	77.926316
"1104146"	572.256192	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2K+H"	78.933592
"1347093"	572.343807	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+DMSO+H"	79.021207
"1014529"	576.382976	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2ACN+H"	83.060376
"1528279"	577.376608	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+IsoProp+Na+H"	84.054008
"992541"	288.695126	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+2ACN+2H"	84.067652
"1592512"	578.291228	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+K+HCOOH"	84.968628
"1420360"	608.322738	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+H+CF3COOH"	115.000138
"1162313"	309.208401	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+3ACN+2H"	125.094202
"1712232"	625.349285	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+NH4+CF3COOH"	132.026685
"1648610"	630.30468	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+Na+CF3COOH"	136.98208
"1580250"	646.27862	"C12065"	"Tiamulin"	"C28H47NO4S"	"493.3226"	"M+K+CF3COOH"	152.95602
"814632"	564.3597	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M"	0
"984156"	545.34131	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-H2O-H"	-19.01839
"66931"	375.232524	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M-3H"	-3.021828
"507587"	563.352424	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M-3H"	-3.021828
"893046"	187.112624	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-3H"	-3.021828
"14906"	563.352424	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M-2H"	-2.014552
"453370"	845.532274	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M-2H"	-2.014552
"831427"	281.172574	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-2H"	-2.014552
"92634"	1127.712124	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M-H"	-1.007276
"533775"	1692.071824	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M-H"	-1.007276
"908537"	563.352424	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-H"	-1.007276
"62383"	1144.738671	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M-2H+NH4"	16.019271
"502106"	1709.098371	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M-2H+NH4"	16.019271
"879423"	580.378971	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-2H+NH4"	16.019271
"46753"	1149.694066	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M-2H+Na"	20.974666
"486638"	1714.053766	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M-2H+Na"	20.974666
"861158"	585.334366	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-2H+Na"	20.974666
"1630571"	585.334366	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Na-2H"	20.974666
"100659"	581.340763	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M-H+Cl"	33.962126
"546786"	863.520613	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M-H+Cl"	33.962126
"940666"	299.160913	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-H+Cl"	33.962126
"272294"	1163.688802	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+Cl"	34.969402
"661436"	1728.048502	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+Cl"	34.969402
"1276025"	599.329102	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Cl"	34.969402
"26238"	1165.668006	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M-2H+K"	36.948606
"462517"	1730.027706	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M-2H+K"	36.948606
"840320"	601.308306	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-2H+K"	36.948606
"1567089"	601.308306	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+K-2H"	36.948606
"958482"	609.357894	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-H+HCOOH"	44.998194
"376476"	1173.717601	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+HCOOH-H"	44.998201
"360723"	1187.733251	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+Hac-H"	59.013851
"1497158"	623.373551	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Hac-H"	59.013851
"964701"	631.339851	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-H+NaCOOH"	66.980151
"122356"	599.329102	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+2Cl"	69.938804
"559729"	881.508952	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+2Cl"	69.938804
"1036185"	317.149252	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2Cl"	69.938804
"1251389"	643.278585	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Br"	78.918885
"1318213"	645.334572	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Cl+HCOOH"	80.974872
"1332428"	667.316529	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Cl+NaCOOH"	102.956829
"926039"	677.345286	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M-H+CF3COOH"	112.985586
"1302019"	713.321964	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Cl+CF3COOH"	148.962264
"1380909"	529.347024	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H-2H2O"	-35.012676
"1395490"	547.357	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H-H2O"	-17.0027
"294446"	1129.726676	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+H"	1.007276
"681400"	1694.086376	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+H"	1.007276
"1355561"	565.366976	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H"	1.007276
"132825"	565.366976	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+2H"	2.014552
"576034"	847.546826	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+2H"	2.014552
"1046656"	283.187126	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2H"	2.014552
"212005"	377.247076	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+3H"	3.021828
"657035"	565.366976	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+3H"	3.021828
"1173338"	189.127176	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+3H"	3.021828
"437342"	1146.753223	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+NH4"	18.033823
"798704"	1711.112923	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+NH4"	18.033823
"1692480"	582.393523	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+NH4"	18.033823
"340030"	573.8802495	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+H+NH4"	19.041099
"736100"	856.0600995	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+H+NH4"	19.041099
"1489555"	291.7003995	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H+NH4"	19.041099
"405686"	1151.708618	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+Na"	22.989218
"768138"	1716.068318	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+Na"	22.989218
"1615877"	587.348918	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Na"	22.989218
"321544"	576.357947	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+H+Na"	23.996494
"713601"	858.537797	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+H+Na"	23.996494
"1464502"	294.178097	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H+Na"	23.996494
"1059207"	196.45449	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2H+Na"	25.00377
"1261978"	597.393186	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+CH3OH+H"	33.033486
"383832"	1167.682558	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+K"	38.963158
"742639"	1732.042258	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+K"	38.963158
"1548706"	603.322858	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+K"	38.963158
"312809"	584.344917	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+H+K"	39.970434
"706814"	866.524767	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+H+K"	39.970434
"1459785"	302.165067	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H+K"	39.970434
"250817"	1170.753226	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+ACN+H"	42.033826
"1221459"	606.393526	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+ACN+H"	42.033826
"1208503"	303.700401	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+ACN+2H"	43.041102
"202223"	1173.69056	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+2Na-H"	44.97116
"642518"	1738.05026	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+2Na-H"	44.97116
"1144566"	609.33086	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2Na-H"	44.97116
"186035"	587.348918	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+2Na"	45.978436
"623767"	869.528768	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+2Na"	45.978436
"1127634"	305.169068	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2Na"	45.978436
"1409702"	203.781804	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H+2Na"	46.985712
"1441819"	611.372446	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H+HCOOH"	47.012746
"232971"	592.38194	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+3H2O+2H"	56.04448
"1522494"	625.42449	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+IsoProp+H"	61.06479
"422179"	595.335888	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+Na+K"	61.952376
"783171"	877.515738	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+Na+K"	61.952376
"1679508"	313.156038	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Na+K"	61.952376
"265301"	1192.735168	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+ACN+Na"	64.015768
"1238006"	628.375468	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+ACN+Na"	64.015768
"1722884"	628.398993	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+NH4+HCOOH"	64.039293
"1186052"	211.109118	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+3Na"	68.967654
"1655943"	633.354388	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Na+HCOOH"	68.994688
"162804"	1205.63844	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+2K-H"	76.91904
"603459"	1769.99814	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+2K-H"	76.91904
"1092345"	641.27874	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2K-H"	76.91904
"151348"	603.322858	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"2M+2K"	77.926316
"589814"	885.502708	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"3M+2K"	77.926316
"1074326"	321.143008	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2K"	77.926316
"1104256"	643.293292	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2K+H"	78.933592
"1348296"	643.380907	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+DMSO+H"	79.021207
"1014639"	647.420076	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2ACN+H"	83.060376
"1531669"	648.413708	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+IsoProp+Na+H"	84.054008
"992651"	324.213676	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+2ACN+2H"	84.067652
"1593715"	649.328328	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+K+HCOOH"	84.968628
"1421563"	679.359838	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+H+CF3COOH"	115.000138
"1162060"	344.726951	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+3ACN+2H"	125.094202
"1710882"	696.386385	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+NH4+CF3COOH"	132.026685
"1648720"	701.34178	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+Na+CF3COOH"	136.98208
"1580360"	717.31572	"C12066"	"Valnemulin"	"C31H52N2O5S"	"564.3597"	"M+K+CF3COOH"	152.95602
"814742"	207.1107	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M"	0
"985360"	188.09231	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-H2O-H"	-19.01839
"67041"	137.066524	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M-3H"	-3.021828
"507697"	206.103424	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M-3H"	-3.021828
"893156"	68.029624	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-3H"	-3.021828
"15012"	206.103424	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M-2H"	-2.014552
"455182"	309.658774	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M-2H"	-2.014552
"830187"	102.548074	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-2H"	-2.014552
"92616"	413.214124	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M-H"	-1.007276
"532786"	620.324824	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M-H"	-1.007276
"906458"	206.103424	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-H"	-1.007276
"60102"	430.240671	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M-2H+NH4"	16.019271
"498571"	637.351371	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M-2H+NH4"	16.019271
"877828"	223.129971	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-2H+NH4"	16.019271
"44631"	435.196066	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M-2H+Na"	20.974666
"478000"	642.306766	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M-2H+Na"	20.974666
"854707"	228.085366	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-2H+Na"	20.974666
"1628612"	228.085366	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Na-2H"	20.974666
"102954"	224.091763	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M-H+Cl"	33.962126
"538144"	327.647113	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M-H+Cl"	33.962126
"937128"	120.536413	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-H+Cl"	33.962126
"269850"	449.190802	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+Cl"	34.969402
"660000"	656.301502	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+Cl"	34.969402
"1272767"	242.080102	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Cl"	34.969402
"18692"	451.170006	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M-2H+K"	36.948606
"458253"	658.280706	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M-2H+K"	36.948606
"839337"	244.059306	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-2H+K"	36.948606
"1567199"	244.059306	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+K-2H"	36.948606
"957881"	252.108894	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-H+HCOOH"	44.998194
"375490"	459.219601	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+HCOOH-H"	44.998201
"359373"	473.235251	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+Hac-H"	59.013851
"1497268"	266.124551	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Hac-H"	59.013851
"963717"	274.090851	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-H+NaCOOH"	66.980151
"116999"	242.080102	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+2Cl"	69.938804
"556559"	345.635452	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+2Cl"	69.938804
"1028640"	138.524752	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2Cl"	69.938804
"1252592"	286.029585	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Br"	78.918885
"1315043"	288.085572	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Cl+HCOOH"	80.974872
"1329258"	310.067529	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Cl+NaCOOH"	102.956829
"925055"	320.096286	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M-H+CF3COOH"	112.985586
"1302129"	356.072964	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Cl+CF3COOH"	148.962264
"1380290"	172.098024	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H-2H2O"	-35.012676
"1393777"	190.108	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H-H2O"	-17.0027
"292369"	415.228676	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+H"	1.007276
"679324"	622.339376	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+H"	1.007276
"1354578"	208.117976	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H"	1.007276
"132935"	208.117976	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+2H"	2.014552
"575777"	311.673326	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+2H"	2.014552
"1042391"	104.562626	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2H"	2.014552
"212478"	139.081076	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+3H"	3.021828
"656416"	208.117976	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+3H"	3.021828
"1175270"	70.044176	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+3H"	3.021828
"437816"	432.255223	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+NH4"	18.033823
"799178"	639.365923	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+NH4"	18.033823
"1691861"	225.144523	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+NH4"	18.033823
"340140"	216.6312495	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+H+NH4"	19.041099
"736574"	320.1865995	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+H+NH4"	19.041099
"1488936"	113.0758995	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H+NH4"	19.041099
"407253"	437.210618	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+Na"	22.989218
"768248"	644.321318	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+Na"	22.989218
"1616230"	230.099918	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Na"	22.989218
"322018"	219.108947	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+H+Na"	23.996494
"713346"	322.664297	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+H+Na"	23.996494
"1463155"	115.553597	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H+Na"	23.996494
"1059317"	77.37149	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2H+Na"	25.00377
"1262088"	240.144186	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+CH3OH+H"	33.033486
"382849"	453.184558	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+K"	38.963158
"742749"	660.295258	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+K"	38.963158
"1549545"	246.073858	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+K"	38.963158
"311095"	227.095917	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+H+K"	39.970434
"705950"	330.651267	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+H+K"	39.970434
"1455885"	123.540567	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H+K"	39.970434
"248860"	456.255226	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+ACN+H"	42.033826
"1223391"	249.144526	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+ACN+H"	42.033826
"1204358"	125.075901	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+ACN+2H"	43.041102
"201239"	459.19256	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+2Na-H"	44.97116
"641531"	666.30326	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+2Na-H"	44.97116
"1142120"	252.08186	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2Na-H"	44.97116
"184319"	230.099918	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+2Na"	45.978436
"623877"	333.655268	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+2Na"	45.978436
"1128472"	126.544568	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2Na"	45.978436
"1410540"	84.698804	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H+2Na"	46.985712
"1441200"	254.123446	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H+HCOOH"	47.012746
"231983"	235.13294	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+3H2O+2H"	56.04448
"1521509"	268.17549	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+IsoProp+H"	61.06479
"421557"	238.086888	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+Na+K"	61.952376
"783280"	341.642238	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+Na+K"	61.952376
"1672689"	134.531538	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Na+K"	61.952376
"261396"	478.237168	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+ACN+Na"	64.015768
"1230825"	271.126468	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+ACN+Na"	64.015768
"1715337"	271.149993	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+NH4+HCOOH"	64.039293
"1185066"	92.026118	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+3Na"	68.967654
"1654958"	276.105388	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Na+HCOOH"	68.994688
"162914"	491.14044	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+2K-H"	76.91904
"604660"	698.25114	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+2K-H"	76.91904
"1090266"	284.02974	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2K-H"	76.91904
"145988"	246.073858	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"2M+2K"	77.926316
"583483"	349.629208	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"3M+2K"	77.926316
"1070062"	142.518508	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2K"	77.926316
"1104366"	286.044292	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2K+H"	78.933592
"1349135"	286.131907	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+DMSO+H"	79.021207
"1013655"	290.171076	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2ACN+H"	83.060376
"1530686"	291.164708	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+IsoProp+Na+H"	84.054008
"994947"	145.589176	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+2ACN+2H"	84.067652
"1591638"	292.079328	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+K+HCOOH"	84.968628
"1418392"	322.110838	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+H+CF3COOH"	115.000138
"1156336"	166.102451	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+3ACN+2H"	125.094202
"1710992"	339.137385	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+NH4+CF3COOH"	132.026685
"1645914"	344.09278	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+Na+CF3COOH"	136.98208
"1580470"	360.06672	"C12067"	"2-Deoxy-2-dimethylamino-alpha-D-Glucose"	"C8H17NO5"	"207.1107"	"M+K+CF3COOH"	152.95602
"815581"	1289.2581	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M"	0
"986563"	1270.23971	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-H2O-H"	-19.01839
"67151"	858.498124	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M-3H"	-3.021828
"511087"	1288.250824	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M-3H"	-3.021828
"893266"	428.745424	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-3H"	-3.021828
"14759"	1288.250824	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M-2H"	-2.014552
"454320"	1932.879874	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M-2H"	-2.014552
"831880"	643.621774	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-2H"	-2.014552
"92364"	2577.508924	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M-H"	-1.007276
"533137"	3866.767024	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M-H"	-1.007276
"909483"	1288.250824	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-H"	-1.007276
"60941"	2594.535471	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M-2H+NH4"	16.019271
"499411"	3883.793571	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M-2H+NH4"	16.019271
"877209"	1305.277371	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-2H+NH4"	16.019271
"44376"	2599.490866	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M-2H+Na"	20.974666
"484302"	3888.748966	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M-2H+Na"	20.974666
"854816"	1310.232766	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-2H+Na"	20.974666
"1626537"	1310.232766	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Na-2H"	20.974666
"101971"	1306.239163	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M-H+Cl"	33.962126
"538254"	1950.868213	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M-H+Cl"	33.962126
"937239"	661.610113	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-H+Cl"	33.962126
"269596"	2613.485602	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+Cl"	34.969402
"660920"	3902.743702	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+Cl"	34.969402
"1273687"	1324.227502	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Cl"	34.969402
"19896"	2615.464806	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M-2H+K"	36.948606
"461645"	3904.722906	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M-2H+K"	36.948606
"840541"	1326.206706	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-2H+K"	36.948606
"1569137"	1326.206706	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+K-2H"	36.948606
"956288"	1334.256294	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-H+HCOOH"	44.998194
"373412"	2623.514401	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+HCOOH-H"	44.998201
"358388"	2637.530051	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+Hac-H"	59.013851
"1503940"	1348.271951	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Hac-H"	59.013851
"964922"	1356.238251	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-H+NaCOOH"	66.980151
"119296"	1324.227502	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+2Cl"	69.938804
"557762"	1968.856552	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+2Cl"	69.938804
"1030938"	679.598452	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2Cl"	69.938804
"1249422"	1368.176985	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Br"	78.918885
"1314059"	1370.232972	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Cl+HCOOH"	80.974872
"1324993"	1392.214929	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Cl+NaCOOH"	102.956829
"925529"	1402.243686	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M-H+CF3COOH"	112.985586
"1301875"	1438.220364	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Cl+CF3COOH"	148.962264
"1381495"	1254.245424	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H-2H2O"	-35.012676
"1392794"	1272.2554	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H-H2O"	-17.0027
"289201"	2579.523476	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+H"	1.007276
"677976"	3868.781576	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+H"	1.007276
"1355054"	1290.265376	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H"	1.007276
"133047"	1290.265376	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+2H"	2.014552
"573702"	1934.894426	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+2H"	2.014552
"1042501"	645.636326	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2H"	2.014552
"212588"	860.512676	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+3H"	3.021828
"655799"	1290.265376	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+3H"	3.021828
"1175017"	430.759976	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+3H"	3.021828
"439021"	2596.550023	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+NH4"	18.033823
"798923"	3885.808123	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+NH4"	18.033823
"1689784"	1307.291923	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+NH4"	18.033823
"341344"	1298.7786495	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+H+NH4"	19.041099
"736681"	1943.4076995	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+H+NH4"	19.041099
"1488678"	654.1495995	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H+NH4"	19.041099
"401891"	2601.505418	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+Na"	22.989218
"768723"	3890.763518	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+Na"	22.989218
"1616460"	1312.247318	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Na"	22.989218
"321034"	1301.256347	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+H+Na"	23.996494
"714549"	1945.885397	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+H+Na"	23.996494
"1467638"	656.627297	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H+Na"	23.996494
"1063801"	438.08729	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2H+Na"	25.00377
"1264385"	1322.291586	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+CH3OH+H"	33.033486
"382960"	2617.479358	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+K"	38.963158
"740674"	3906.737458	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+K"	38.963158
"1547103"	1328.221258	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+K"	38.963158
"311569"	1309.243317	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+H+K"	39.970434
"705815"	1953.872367	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+H+K"	39.970434
"1454901"	664.614267	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H+K"	39.970434
"246782"	2620.550026	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+ACN+H"	42.033826
"1219491"	1331.291926	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+ACN+H"	42.033826
"1204467"	666.149601	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+ACN+2H"	43.041102
"201716"	2623.48736	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+2Na-H"	44.97116
"641279"	3912.74546	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+2Na-H"	44.97116
"1143323"	1334.22926	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2Na-H"	44.97116
"183697"	1312.247318	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+2Na"	45.978436
"625809"	1956.876368	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+2Na"	45.978436
"1127855"	667.618268	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2Na"	45.978436
"1409192"	445.414604	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H+2Na"	46.985712
"1442037"	1336.270846	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H+HCOOH"	47.012746
"232825"	1317.28034	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+3H2O+2H"	56.04448
"1521980"	1350.32289	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+IsoProp+H"	61.06479
"422641"	1320.234288	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+Na+K"	61.952376
"783270"	1964.863338	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+Na+K"	61.952376
"1676079"	675.605238	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Na+K"	61.952376
"263693"	2642.531968	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+ACN+Na"	64.015768
"1230934"	1353.273868	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+ACN+Na"	64.015768
"1717634"	1353.297393	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+NH4+HCOOH"	64.039293
"1185178"	452.741918	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+3Na"	68.967654
"1653977"	1358.252788	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Na+HCOOH"	68.994688
"160838"	2655.43524	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+2K-H"	76.91904
"603678"	3944.69334	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+2K-H"	76.91904
"1087096"	1366.17714	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2K-H"	76.91904
"145006"	1328.221258	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"2M+2K"	77.926316
"587849"	1972.850308	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"3M+2K"	77.926316
"1069808"	683.592208	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2K"	77.926316
"1104477"	1368.191692	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2K+H"	78.933592
"1343048"	1368.279307	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+DMSO+H"	79.021207
"1010486"	1372.318476	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2ACN+H"	83.060376
"1527518"	1373.312108	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+IsoProp+Na+H"	84.054008
"991046"	686.662876	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+2ACN+2H"	84.067652
"1589562"	1374.226728	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+K+HCOOH"	84.968628
"1420691"	1404.258238	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+H+CF3COOH"	115.000138
"1160821"	707.176151	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+3ACN+2H"	125.094202
"1708186"	1421.284785	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+NH4+CF3COOH"	132.026685
"1646024"	1426.24018	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+Na+CF3COOH"	136.98208
"1580580"	1442.21412	"C12068"	"GE2270A"	"C56H55N15O10S6"	"1289.2581"	"M+K+CF3COOH"	152.95602
"815328"	88.016	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M"	0
"979020"	68.99761	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-H2O-H"	-19.01839
"70541"	57.6700573333333	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M-3H"	-3.021828
"509008"	87.008724	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M-3H"	-3.021828
"891189"	28.3313906666667	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-3H"	-3.021828
"14139"	87.008724	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M-2H"	-2.014552
"455243"	131.016724	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M-2H"	-2.014552
"831386"	43.000724	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-2H"	-2.014552
"91748"	175.024724	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M-H"	-1.007276
"533370"	263.040724	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M-H"	-1.007276
"910200"	87.008724	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-H"	-1.007276
"61657"	192.051271	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M-2H+NH4"	16.019271
"497334"	280.067271	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M-2H+NH4"	16.019271
"877687"	104.035271	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-2H+NH4"	16.019271
"45824"	197.006666	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M-2H+Na"	20.974666
"483686"	285.022666	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M-2H+Na"	20.974666
"857114"	108.990666	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-2H+Na"	20.974666
"1626647"	108.990666	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Na-2H"	20.974666
"103174"	104.997063	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M-H+Cl"	33.962126
"538364"	149.005063	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M-H+Cl"	33.962126
"937349"	60.989063	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-H+Cl"	33.962126
"270434"	211.001402	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+Cl"	34.969402
"662125"	299.017402	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+Cl"	34.969402
"1275256"	122.985402	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Cl"	34.969402
"20006"	212.980606	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M-2H+K"	36.948606
"458473"	300.996606	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M-2H+K"	36.948606
"843931"	124.964606	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-2H+K"	36.948606
"1570338"	124.964606	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+K-2H"	36.948606
"957857"	133.014194	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-H+HCOOH"	44.998194
"376805"	221.030201	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+HCOOH-H"	44.998201
"360320"	235.045851	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+Hac-H"	59.013851
"1502955"	147.029851	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Hac-H"	59.013851
"972684"	154.996151	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-H+NaCOOH"	66.980151
"119405"	122.985402	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+2Cl"	69.938804
"557872"	166.993402	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+2Cl"	69.938804
"1032141"	78.977402	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2Cl"	69.938804
"1248439"	166.934885	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Br"	78.918885
"1316356"	168.990872	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Cl+HCOOH"	80.974872
"1332759"	190.972829	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Cl+NaCOOH"	102.956829
"921630"	201.001586	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M-H+CF3COOH"	112.985586
"1303079"	236.978264	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Cl+CF3COOH"	148.962264
"1379782"	53.003324	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H-2H2O"	-35.012676
"1390717"	71.0133	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H-H2O"	-17.0027
"287124"	177.039276	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+H"	1.007276
"678451"	265.055276	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+H"	1.007276
"1356988"	89.023276	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H"	1.007276
"127688"	89.023276	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+2H"	2.014552
"568343"	133.031276	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+2H"	2.014552
"1042611"	45.015276	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2H"	2.014552
"210514"	59.6846093333333	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+3H"	3.021828
"654447"	89.023276	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+3H"	3.021828
"1172573"	30.3459426666667	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+3H"	3.021828
"432565"	194.065823	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+NH4"	18.033823
"794652"	282.081823	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+NH4"	18.033823
"1690984"	106.049823	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+NH4"	18.033823
"345102"	97.5365495	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+H+NH4"	19.041099
"736060"	141.5445495	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+H+NH4"	19.041099
"1492273"	53.5285495	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H+NH4"	19.041099
"397627"	199.021218	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+Na"	22.989218
"769319"	287.037218	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+Na"	22.989218
"1615477"	111.005218	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Na"	22.989218
"324424"	100.014247	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+H+Na"	23.996494
"714659"	144.022247	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+H+Na"	23.996494
"1470665"	56.006247	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H+Na"	23.996494
"1063911"	37.6732566666667	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2H+Na"	25.00377
"1269963"	121.049486	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+CH3OH+H"	33.033486
"388539"	214.995158	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+K"	38.963158
"744065"	303.011158	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+K"	38.963158
"1552317"	126.979158	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+K"	38.963158
"313507"	108.001217	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+H+K"	39.970434
"706780"	152.009217	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+H+K"	39.970434
"1457198"	63.993217	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H+K"	39.970434
"249078"	218.065826	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+ACN+H"	42.033826
"1221789"	130.049826	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+ACN+H"	42.033826
"1206403"	65.528551	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+ACN+2H"	43.041102
"200369"	221.00316	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+2Na-H"	44.97116
"640297"	309.01916	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+2Na-H"	44.97116
"1142706"	132.98716	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2Na-H"	44.97116
"185268"	111.005218	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+2Na"	45.978436
"626647"	155.013218	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+2Na"	45.978436
"1126873"	66.997218	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2Na"	45.978436
"1410398"	45.0005706666667	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H+2Na"	46.985712
"1441785"	135.028746	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H+HCOOH"	47.012746
"233299"	116.03824	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+3H2O+2H"	56.04448
"1523553"	149.08079	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+IsoProp+H"	61.06479
"423486"	118.992188	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+Na+K"	61.952376
"785086"	163.000188	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+Na+K"	61.952376
"1679474"	74.984188	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Na+K"	61.952376
"265993"	240.047768	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+ACN+Na"	64.015768
"1233231"	152.031768	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+ACN+Na"	64.015768
"1719931"	152.055293	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+NH4+HCOOH"	64.039293
"1180179"	52.3278846666667	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+3Na"	68.967654
"1652259"	157.010688	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Na+HCOOH"	68.994688
"160942"	252.95104	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+2K-H"	76.91904
"599409"	340.96704	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+2K-H"	76.91904
"1089390"	164.93504	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2K-H"	76.91904
"144020"	126.979158	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"2M+2K"	77.926316
"584679"	170.987158	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"3M+2K"	77.926316
"1072104"	82.971158	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2K"	77.926316
"1101666"	166.949592	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2K+H"	78.933592
"1340971"	167.037207	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+DMSO+H"	79.021207
"1007434"	171.076376	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2ACN+H"	83.060376
"1526532"	172.070008	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+IsoProp+Na+H"	84.054008
"991518"	86.041826	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+2ACN+2H"	84.067652
"1589671"	172.984628	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+K+HCOOH"	84.968628
"1417517"	203.016138	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+H+CF3COOH"	115.000138
"1151087"	106.555101	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+3ACN+2H"	125.094202
"1701734"	220.042685	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+NH4+CF3COOH"	132.026685
"1646133"	224.99808	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+Na+CF3COOH"	136.98208
"1573035"	240.97202	"C12069"	"3-Hydroxypropenoate"	"C3H4O3"	"88.016"	"M+K+CF3COOH"	152.95602
"816903"	838.4503	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M"	0
"984596"	819.43191	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-H2O-H"	-19.01839
"67372"	557.959590666667	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M-3H"	-3.021828
"508025"	837.443024	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M-3H"	-3.021828
"891301"	278.476157333333	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-3H"	-3.021828
"14262"	837.443024	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M-2H"	-2.014552
"454065"	1256.668174	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M-2H"	-2.014552
"829805"	418.217874	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-2H"	-2.014552
"90160"	1675.893324	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M-H"	-1.007276
"528990"	2514.343624	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M-H"	-1.007276
"907156"	837.443024	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-H"	-1.007276
"60802"	1692.919871	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M-2H+NH4"	16.019271
"500970"	2531.370171	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M-2H+NH4"	16.019271
"878164"	854.469571	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-2H+NH4"	16.019271
"45333"	1697.875266	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M-2H+Na"	20.974666
"485258"	2536.325566	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M-2H+Na"	20.974666
"855039"	859.424966	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-2H+Na"	20.974666
"1630039"	859.424966	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Na-2H"	20.974666
"104380"	855.431363	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M-H+Cl"	33.962126
"549416"	1274.656513	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M-H+Cl"	33.962126
"940740"	436.206213	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-H+Cl"	33.962126
"272733"	1711.870002	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+Cl"	34.969402
"665156"	2550.320302	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+Cl"	34.969402
"1286309"	873.419702	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Cl"	34.969402
"30773"	1713.849206	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M-2H+K"	36.948606
"466239"	2552.299506	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M-2H+K"	36.948606
"843677"	875.398906	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-2H+K"	36.948606
"1570084"	875.398906	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+K-2H"	36.948606
"958092"	883.448494	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-H+HCOOH"	44.998194
"376392"	1721.898801	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+HCOOH-H"	44.998201
"359466"	1735.914451	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+Hac-H"	59.013851
"1506840"	897.464151	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Hac-H"	59.013851
"972069"	905.430451	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-H+NaCOOH"	66.980151
"125028"	873.419702	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+2Cl"	69.938804
"563093"	1292.644852	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+2Cl"	69.938804
"1032987"	454.194552	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2Cl"	69.938804
"1251473"	917.369185	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Br"	78.918885
"1317566"	919.425172	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Cl+HCOOH"	80.974872
"1332873"	941.407129	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Cl+NaCOOH"	102.956829
"923569"	951.435886	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M-H+CF3COOH"	112.985586
"1303801"	987.412564	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Cl+CF3COOH"	148.962264
"1382085"	803.437624	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H-2H2O"	-35.012676
"1397762"	821.4476	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H-H2O"	-17.0027
"298173"	1677.907876	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+H"	1.007276
"688406"	2516.358176	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+H"	1.007276
"1359288"	839.457576	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H"	1.007276
"133636"	839.457576	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+2H"	2.014552
"574655"	1258.682726	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+2H"	2.014552
"1050017"	420.232426	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2H"	2.014552
"218648"	559.974142666667	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+3H"	3.021828
"657479"	839.457576	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+3H"	3.021828
"1177062"	280.490709333333	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+3H"	3.021828
"434865"	1694.934423	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+NH4"	18.033823
"796226"	2533.384723	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+NH4"	18.033823
"1690005"	856.484123	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+NH4"	18.033823
"344485"	847.9708495	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+H+NH4"	19.041099
"738002"	1267.1959995	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+H+NH4"	19.041099
"1492186"	428.7456995	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H+NH4"	19.041099
"406488"	1699.889818	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+Na"	22.989218
"768464"	2538.340118	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+Na"	22.989218
"1616681"	861.439518	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Na"	22.989218
"324536"	850.448547	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+H+Na"	23.996494
"716956"	1269.673697	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+H+Na"	23.996494
"1469682"	431.223397	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H+Na"	23.996494
"1065115"	287.818023333333	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2H+Na"	25.00377
"1270806"	871.483786	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+CH3OH+H"	33.033486
"392297"	1715.863758	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+K"	38.963158
"752561"	2554.314058	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+K"	38.963158
"1554614"	877.413458	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+K"	38.963158
"314078"	858.435517	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+H+K"	39.970434
"705312"	1277.660667	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+H+K"	39.970434
"1459494"	439.210367	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H+K"	39.970434
"249191"	1718.934426	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+ACN+H"	42.033826
"1221901"	880.484126	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+ACN+H"	42.033826
"1207243"	440.745701	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+ACN+2H"	43.041102
"202668"	1721.87176	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+2Na-H"	44.97116
"642593"	2560.32206	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+2Na-H"	44.97116
"1145737"	883.42146	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2Na-H"	44.97116
"187982"	861.439518	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+2Na"	45.978436
"627741"	1280.664668	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+2Na"	45.978436
"1129902"	442.214368	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2Na"	45.978436
"1413309"	295.145337333333	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H+2Na"	46.985712
"1443719"	885.463046	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H+HCOOH"	47.012746
"234146"	866.47254	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+3H2O+2H"	56.04448
"1523626"	899.51509	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+IsoProp+H"	61.06479
"424229"	869.426488	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+Na+K"	61.952376
"784714"	1288.651638	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+Na+K"	61.952376
"1681210"	450.201338	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Na+K"	61.952376
"267068"	1740.916368	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+ACN+Na"	64.015768
"1236622"	902.466068	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+ACN+Na"	64.015768
"1720043"	902.489593	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+NH4+HCOOH"	64.039293
"1184301"	302.472651333333	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+3Na"	68.967654
"1657473"	907.444988	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Na+HCOOH"	68.994688
"164334"	1753.81964	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+2K-H"	76.91904
"597448"	2592.26994	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+2K-H"	76.91904
"1084876"	915.36934	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2K-H"	76.91904
"146318"	877.413458	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"2M+2K"	77.926316
"584789"	1296.638608	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"3M+2K"	77.926316
"1073675"	458.188308	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2K"	77.926316
"1109073"	917.383892	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2K+H"	78.933592
"1343270"	917.471507	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+DMSO+H"	79.021207
"1009976"	921.510676	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2ACN+H"	83.060376
"1526278"	922.504308	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+IsoProp+Na+H"	84.054008
"996372"	461.258976	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+2ACN+2H"	84.067652
"1596344"	923.418928	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+K+HCOOH"	84.968628
"1420911"	953.450438	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+H+CF3COOH"	115.000138
"1161041"	481.772251	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+3ACN+2H"	125.094202
"1705126"	970.476985	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+NH4+CF3COOH"	132.026685
"1646244"	975.43238	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+Na+CF3COOH"	136.98208
"1580800"	991.40632	"C12070"	"Pulvomycin"	"C47H66O13"	"838.4503"	"M+K+CF3COOH"	152.95602
"814454"	322.1681	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M"	0
"975960"	303.14971	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-H2O-H"	-19.01839
"67481"	213.771457333333	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M-3H"	-3.021828
"505947"	321.160824	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M-3H"	-3.021828
"888127"	106.382090666667	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-3H"	-3.021828
"13631"	321.160824	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M-2H"	-2.014552
"454285"	482.244874	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M-2H"	-2.014552
"831970"	160.076774	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-2H"	-2.014552
"91364"	643.328924	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M-H"	-1.007276
"530924"	965.497024	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M-H"	-1.007276
"908362"	321.160824	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-H"	-1.007276
"60910"	660.355471	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M-2H+NH4"	16.019271
"500961"	982.523571	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M-2H+NH4"	16.019271
"878155"	338.187371	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-2H+NH4"	16.019271
"45443"	665.310866	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M-2H+Na"	20.974666
"483908"	987.478966	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M-2H+Na"	20.974666
"860616"	343.142766	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-2H+Na"	20.974666
"1631242"	343.142766	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Na-2H"	20.974666
"105583"	339.149163	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M-H+Cl"	33.962126
"548794"	500.233213	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M-H+Cl"	33.962126
"940853"	178.065113	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-H+Cl"	33.962126
"271750"	679.305602	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+Cl"	34.969402
"665266"	1001.473702	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+Cl"	34.969402
"1287512"	357.137502	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Cl"	34.969402
"30315"	681.284806	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M-2H+K"	36.948606
"466349"	1003.452906	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M-2H+K"	36.948606
"844151"	359.116706	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-2H+K"	36.948606
"1570683"	359.116706	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+K-2H"	36.948606
"957594"	367.166294	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-H+HCOOH"	44.998194
"376750"	689.334401	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+HCOOH-H"	44.998201
"357996"	703.350051	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+Hac-H"	59.013851
"1505734"	381.181951	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Hac-H"	59.013851
"972906"	389.148251	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-H+NaCOOH"	66.980151
"124730"	357.137502	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+2Cl"	69.938804
"563930"	518.221552	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+2Cl"	69.938804
"1032007"	196.053452	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2Cl"	69.938804
"1255591"	401.086985	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Br"	78.918885
"1316583"	403.142972	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Cl+HCOOH"	80.974872
"1334929"	425.124929	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Cl+NaCOOH"	102.956829
"925866"	435.153686	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M-H+CF3COOH"	112.985586
"1303793"	471.130364	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Cl+CF3COOH"	148.962264
"1382660"	287.155424	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H-2H2O"	-35.012676
"1398301"	305.1654	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H-H2O"	-17.0027
"298521"	645.343476	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+H"	1.007276
"691303"	967.511576	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+H"	1.007276
"1362315"	323.175376	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H"	1.007276
"137026"	323.175376	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+2H"	2.014552
"576588"	484.259426	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+2H"	2.014552
"1051585"	162.091326	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2H"	2.014552
"218033"	215.786009333333	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+3H"	3.021828
"657589"	323.175376	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+3H"	3.021828
"1177902"	108.396642666667	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+3H"	3.021828
"434610"	662.370023	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+NH4"	18.033823
"794878"	984.538123	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+NH4"	18.033823
"1690115"	340.201923	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+NH4"	18.033823
"344230"	331.6886495	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+H+NH4"	19.041099
"737018"	492.7726995	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+H+NH4"	19.041099
"1491933"	170.6045995	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H+NH4"	19.041099
"407326"	667.325418	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+Na"	22.989218
"761031"	989.493518	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+Na"	22.989218
"1616790"	345.157318	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Na"	22.989218
"329751"	334.166347	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+H+Na"	23.996494
"721444"	495.250397	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+H+Na"	23.996494
"1473077"	173.082297	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H+Na"	23.996494
"1063043"	115.723956666667	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2H+Na"	25.00377
"1270188"	355.201586	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+CH3OH+H"	33.033486
"391679"	683.299358	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+K"	38.963158
"753040"	1005.467458	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+K"	38.963158
"1552907"	361.131258	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+K"	38.963158
"312267"	342.153317	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+H+K"	39.970434
"706762"	503.237367	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+H+K"	39.970434
"1457421"	181.069267	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H+K"	39.970434
"249303"	686.370026	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+ACN+H"	42.033826
"1221650"	364.201926	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+ACN+H"	42.033826
"1208087"	182.604601	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+ACN+2H"	43.041102
"202415"	689.30736	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+2Na-H"	44.97116
"643682"	1011.47546	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+2Na-H"	44.97116
"1146705"	367.13926	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2Na-H"	44.97116
"188416"	345.157318	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+2Na"	45.978436
"628219"	506.241368	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+2Na"	45.978436
"1131244"	184.073268	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2Na"	45.978436
"1413542"	123.051270666667	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H+2Na"	46.985712
"1445412"	369.180846	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H+HCOOH"	47.012746
"234983"	350.19034	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+3H2O+2H"	56.04448
"1524106"	383.23289	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+IsoProp+H"	61.06479
"423663"	353.144288	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+Na+K"	61.952376
"785527"	514.228338	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+Na+K"	61.952376
"1681155"	192.060238	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Na+K"	61.952376
"266988"	708.351968	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+ACN+Na"	64.015768
"1237826"	386.183868	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+ACN+Na"	64.015768
"1725621"	386.207393	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+NH4+HCOOH"	64.039293
"1182229"	130.378584666667	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+3Na"	68.967654
"1653941"	391.162788	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Na+HCOOH"	68.994688
"160438"	721.25524	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+2K-H"	76.91904
"600724"	1043.42334	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+2K-H"	76.91904
"1091799"	399.08714	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2K-H"	76.91904
"144607"	361.131258	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"2M+2K"	77.926316
"593649"	522.215308	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"3M+2K"	77.926316
"1077067"	200.047208	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2K"	77.926316
"1109183"	401.101692	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2K+H"	78.933592
"1342287"	401.189307	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+DMSO+H"	79.021207
"1008264"	405.228476	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2ACN+H"	83.060376
"1526024"	406.222108	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+IsoProp+Na+H"	84.054008
"995389"	203.117876	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+2ACN+2H"	84.067652
"1596454"	407.136728	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+K+HCOOH"	84.968628
"1421021"	437.168238	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+H+CF3COOH"	115.000138
"1161151"	223.631151	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+3ACN+2H"	125.094202
"1705236"	454.194785	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+NH4+CF3COOH"	132.026685
"1648180"	459.15018	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+Na+CF3COOH"	136.98208
"1584191"	475.12412	"C12072"	"Gardneral"	"C20H22N2O2"	"322.1681"	"M+K+CF3COOH"	152.95602
"816021"	364.1787	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M"	0
"977163"	345.16031	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-H2O-H"	-19.01839
"66497"	241.778524	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M-3H"	-3.021828
"508245"	363.171424	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M-3H"	-3.021828
"890423"	120.385624	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-3H"	-3.021828
"13011"	363.171424	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M-2H"	-2.014552
"452938"	545.260774	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M-2H"	-2.014552
"828554"	181.082074	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-2H"	-2.014552
"92923"	727.350124	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M-H"	-1.007276
"531874"	1091.528824	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M-H"	-1.007276
"910167"	363.171424	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-H"	-1.007276
"60538"	744.376671	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M-2H+NH4"	16.019271
"501797"	1108.555371	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M-2H+NH4"	16.019271
"878870"	380.197971	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-2H+NH4"	16.019271
"45555"	749.332066	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M-2H+Na"	20.974666
"481832"	1113.510766	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M-2H+Na"	20.974666
"858539"	385.153366	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-2H+Na"	20.974666
"1625886"	385.153366	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Na-2H"	20.974666
"105695"	381.159763	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M-H+Cl"	33.962126
"547448"	563.249113	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M-H+Cl"	33.962126
"940600"	199.070413	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-H+Cl"	33.962126
"275142"	763.326802	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+Cl"	34.969402
"668658"	1127.505502	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+Cl"	34.969402
"1281062"	399.148102	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Cl"	34.969402
"28724"	765.306006	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M-2H+K"	36.948606
"467919"	1129.484706	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M-2H+K"	36.948606
"840980"	401.127306	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-2H+K"	36.948606
"1570185"	401.127306	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+K-2H"	36.948606
"956368"	409.176894	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-H+HCOOH"	44.998194
"374584"	773.355601	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+HCOOH-H"	44.998201
"358834"	787.371251	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+Hac-H"	59.013851
"1505475"	423.192551	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Hac-H"	59.013851
"969737"	431.158851	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-H+NaCOOH"	66.980151
"123017"	399.148102	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+2Cl"	69.938804
"561486"	581.237452	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+2Cl"	69.938804
"1033567"	217.058752	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2Cl"	69.938804
"1255337"	443.097585	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Br"	78.918885
"1317780"	445.153572	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Cl+HCOOH"	80.974872
"1333090"	467.135529	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Cl+NaCOOH"	102.956829
"926216"	477.164286	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M-H+CF3COOH"	112.985586
"1303539"	513.140964	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Cl+CF3COOH"	148.962264
"1378292"	329.166024	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H-2H2O"	-35.012676
"1395060"	347.176	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H-H2O"	-17.0027
"295111"	729.364676	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+H"	1.007276
"686438"	1093.543376	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+H"	1.007276
"1362423"	365.185976	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H"	1.007276
"137136"	365.185976	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+2H"	2.014552
"575236"	547.275326	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+2H"	2.014552
"1046953"	183.096626	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2H"	2.014552
"218865"	243.793076	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+3H"	3.021828
"657334"	365.185976	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+3H"	3.021828
"1173998"	122.400176	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+3H"	3.021828
"433990"	746.391223	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+NH4"	18.033823
"799727"	1110.569923	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+NH4"	18.033823
"1694601"	382.212523	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+NH4"	18.033823
"338504"	373.6992495	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+H+NH4"	19.041099
"736030"	555.7885995	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+H+NH4"	19.041099
"1488756"	191.6098995	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H+NH4"	19.041099
"406344"	751.346618	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+Na"	22.989218
"766612"	1115.525318	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+Na"	22.989218
"1617511"	387.167918	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Na"	22.989218
"329810"	376.176947	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+H+Na"	23.996494
"722042"	558.266297	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+H+Na"	23.996494
"1475012"	194.087597	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H+Na"	23.996494
"1066067"	129.72749	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2H+Na"	25.00377
"1271027"	397.212186	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+CH3OH+H"	33.033486
"389966"	767.320558	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+K"	38.963158
"752426"	1131.499258	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+K"	38.963158
"1554111"	403.141858	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+K"	38.963158
"313471"	384.163917	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+H+K"	39.970434
"706380"	566.253267	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+H+K"	39.970434
"1458991"	202.074567	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H+K"	39.970434
"249782"	770.391226	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+ACN+H"	42.033826
"1223221"	406.212526	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+ACN+H"	42.033826
"1208198"	203.609901	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+ACN+2H"	43.041102
"202653"	773.32856	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+2Na-H"	44.97116
"643064"	1137.50726	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+2Na-H"	44.97116
"1147005"	409.14986	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2Na-H"	44.97116
"188511"	387.167918	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+2Na"	45.978436
"628352"	569.257268	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+2Na"	45.978436
"1131289"	205.078568	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2Na"	45.978436
"1413938"	137.054804	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H+2Na"	46.985712
"1443939"	411.191446	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H+HCOOH"	47.012746
"234363"	392.20094	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+3H2O+2H"	56.04448
"1523805"	425.24349	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+IsoProp+H"	61.06479
"422842"	395.154888	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+Na+K"	61.952376
"785426"	577.244238	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+Na+K"	61.952376
"1680901"	213.065538	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Na+K"	61.952376
"266572"	792.373168	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+ACN+Na"	64.015768
"1240125"	428.194468	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+ACN+Na"	64.015768
"1727192"	428.217993	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+NH4+HCOOH"	64.039293
"1185619"	144.382118	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+3Na"	68.967654
"1655508"	433.173388	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Na+HCOOH"	68.994688
"163098"	805.27644	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+2K-H"	76.91904
"600834"	1169.45514	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+2K-H"	76.91904
"1093002"	441.09774	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2K-H"	76.91904
"144719"	403.141858	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"2M+2K"	77.926316
"595703"	585.231208	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"3M+2K"	77.926316
"1077177"	221.052508	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2K"	77.926316
"1109293"	443.112292	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2K+H"	78.933592
"1339845"	443.199907	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+DMSO+H"	79.021207
"1008374"	447.239076	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2ACN+H"	83.060376
"1526134"	448.232708	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+IsoProp+Na+H"	84.054008
"995499"	224.123176	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+2ACN+2H"	84.067652
"1593284"	449.147328	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+K+HCOOH"	84.968628
"1421131"	479.178838	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+H+CF3COOH"	115.000138
"1161261"	244.636451	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+3ACN+2H"	125.094202
"1705346"	496.205385	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+NH4+CF3COOH"	132.026685
"1649017"	501.16078	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+Na+CF3COOH"	136.98208
"1584301"	517.13472	"C12073"	"11-Methoxy-vinorine"	"C22H24N2O3"	"364.1787"	"M+K+CF3COOH"	152.95602
"816742"	308.1889	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M"	0
"988207"	289.17051	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-H2O-H"	-19.01839
"66608"	204.451990666667	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M-3H"	-3.021828
"506168"	307.181624	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M-3H"	-3.021828
"887253"	101.722357333333	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-3H"	-3.021828
"14214"	307.181624	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M-2H"	-2.014552
"453045"	461.276074	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M-2H"	-2.014552
"832065"	153.087174	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-2H"	-2.014552
"90840"	615.370524	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M-H"	-1.007276
"531494"	923.559424	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M-H"	-1.007276
"909545"	307.181624	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-H"	-1.007276
"60402"	632.397071	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M-2H+NH4"	16.019271
"500930"	940.585971	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M-2H+NH4"	16.019271
"878126"	324.208171	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-2H+NH4"	16.019271
"45170"	637.352466	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M-2H+Na"	20.974666
"483035"	945.541366	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M-2H+Na"	20.974666
"859742"	329.163566	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-2H+Na"	20.974666
"1628180"	329.163566	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Na-2H"	20.974666
"101429"	325.169963	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M-H+Cl"	33.962126
"542084"	479.264413	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M-H+Cl"	33.962126
"934508"	171.075513	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-H+Cl"	33.962126
"271971"	651.347202	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+Cl"	34.969402
"665486"	959.536102	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+Cl"	34.969402
"1281171"	343.158302	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Cl"	34.969402
"23728"	653.326406	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M-2H+K"	36.948606
"460008"	961.515306	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M-2H+K"	36.948606
"833554"	345.137506	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-2H+K"	36.948606
"1565674"	345.137506	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+K-2H"	36.948606
"954650"	353.187094	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-H+HCOOH"	44.998194
"367763"	661.376001	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+HCOOH-H"	44.998201
"352374"	675.391651	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+Hac-H"	59.013851
"1500115"	367.202751	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Hac-H"	59.013851
"967657"	375.169051	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-H+NaCOOH"	66.980151
"119845"	343.158302	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+2Cl"	69.938804
"560500"	497.252752	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+2Cl"	69.938804
"1031488"	189.063852	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2Cl"	69.938804
"1251069"	387.107785	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Br"	78.918885
"1317893"	389.163772	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Cl+HCOOH"	80.974872
"1331379"	411.145729	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Cl+NaCOOH"	102.956829
"923531"	421.174486	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M-H+CF3COOH"	112.985586
"1303159"	457.151164	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Cl+CF3COOH"	148.962264
"1379861"	273.176224	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H-2H2O"	-35.012676
"1395170"	291.1862	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H-H2O"	-17.0027
"292305"	617.385076	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+H"	1.007276
"685820"	925.573976	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+H"	1.007276
"1360346"	309.196176	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H"	1.007276
"139433"	309.196176	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+2H"	2.014552
"575346"	463.290626	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+2H"	2.014552
"1046699"	155.101726	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2H"	2.014552
"218246"	206.466542666667	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+3H"	3.021828
"659187"	309.196176	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+3H"	3.021828
"1175204"	103.736909333333	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+3H"	3.021828
"433007"	634.411623	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+NH4"	18.033823
"794000"	942.600523	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+NH4"	18.033823
"1689242"	326.222723	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+NH4"	18.033823
"341894"	317.7094495	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+H+NH4"	19.041099
"736142"	471.8038995	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+H+NH4"	19.041099
"1490329"	163.6149995	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H+NH4"	19.041099
"404635"	639.367018	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+Na"	22.989218
"768670"	947.555918	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+Na"	22.989218
"1615913"	331.178118	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Na"	22.989218
"323768"	320.187147	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+H+Na"	23.996494
"722147"	474.281597	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+H+Na"	23.996494
"1475483"	166.092697	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H+Na"	23.996494
"1066910"	111.064223333333	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2H+Na"	25.00377
"1271134"	341.222386	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+CH3OH+H"	33.033486
"391539"	655.340958	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+K"	38.963158
"752896"	963.529858	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+K"	38.963158
"1553858"	347.152058	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+K"	38.963158
"312487"	328.174117	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+H+K"	39.970434
"704182"	482.268567	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+H+K"	39.970434
"1459833"	174.079667	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H+K"	39.970434
"248801"	658.411626	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+ACN+H"	42.033826
"1222240"	350.222726	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+ACN+H"	42.033826
"1207943"	175.615001	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+ACN+2H"	43.041102
"202275"	661.34896	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+2Na-H"	44.97116
"642809"	969.53786	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+2Na-H"	44.97116
"1146763"	353.16006	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2Na-H"	44.97116
"188397"	331.178118	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+2Na"	45.978436
"628197"	485.272568	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+2Na"	45.978436
"1130725"	177.083668	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2Na"	45.978436
"1413966"	118.391537333333	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H+2Na"	46.985712
"1443687"	355.201646	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H+HCOOH"	47.012746
"233745"	336.21114	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+3H2O+2H"	56.04448
"1523835"	369.25369	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+IsoProp+H"	61.06479
"422587"	339.165088	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+Na+K"	61.952376
"785438"	493.259538	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+Na+K"	61.952376
"1680522"	185.070638	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Na+K"	61.952376
"263881"	680.393568	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+ACN+Na"	64.015768
"1239871"	372.204668	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+ACN+Na"	64.015768
"1726574"	372.228193	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+NH4+HCOOH"	64.039293
"1185729"	125.718851333333	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+3Na"	68.967654
"1654162"	377.183588	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Na+HCOOH"	68.994688
"160658"	693.29684	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+2K-H"	76.91904
"603131"	1001.48574	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+2K-H"	76.91904
"1092019"	385.10794	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2K-H"	76.91904
"144828"	347.152058	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"2M+2K"	77.926316
"595571"	501.246508	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"3M+2K"	77.926316
"1077287"	193.057608	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2K"	77.926316
"1109403"	387.122492	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2K+H"	78.933592
"1340320"	387.210107	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+DMSO+H"	79.021207
"1013224"	391.249276	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2ACN+H"	83.060376
"1532442"	392.242908	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+IsoProp+Na+H"	84.054008
"995609"	196.128276	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+2ACN+2H"	84.067652
"1593394"	393.157528	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+K+HCOOH"	84.968628
"1422334"	423.189038	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+H+CF3COOH"	115.000138
"1161371"	216.641551	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+3ACN+2H"	125.094202
"1705456"	440.215585	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+NH4+CF3COOH"	132.026685
"1649127"	445.17098	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+Na+CF3COOH"	136.98208
"1584411"	461.14492	"C12075"	"Tetraphyllicine;NSC72114"	"C20H24N2O"	"308.1889"	"M+K+CF3COOH"	152.95602
"814783"	312.1209	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M"	0
"985037"	293.10251	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-H2O-H"	-19.01839
"65989"	207.073324	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M-3H"	-3.021828
"505185"	311.113624	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M-3H"	-3.021828
"888456"	103.033024	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-3H"	-3.021828
"14688"	311.113624	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M-2H"	-2.014552
"453155"	467.174074	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M-2H"	-2.014552
"831930"	155.053174	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-2H"	-2.014552
"90950"	623.234524	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M-H"	-1.007276
"532697"	935.355424	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M-H"	-1.007276
"909775"	311.113624	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-H"	-1.007276
"61239"	640.261071	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M-2H+NH4"	16.019271
"501890"	952.381971	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M-2H+NH4"	16.019271
"878962"	328.140171	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-2H+NH4"	16.019271
"41392"	645.216466	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M-2H+Na"	20.974666
"484604"	957.337366	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M-2H+Na"	20.974666
"857665"	333.095566	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-2H+Na"	20.974666
"1626102"	333.095566	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Na-2H"	20.974666
"100446"	329.101963	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M-H+Cl"	33.962126
"538913"	485.162413	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M-H+Cl"	33.962126
"932430"	173.041513	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-H+Cl"	33.962126
"272081"	659.211202	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+Cl"	34.969402
"665596"	971.332102	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+Cl"	34.969402
"1279094"	347.090302	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Cl"	34.969402
"24931"	661.190406	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M-2H+K"	36.948606
"463398"	973.311306	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M-2H+K"	36.948606
"833537"	349.069506	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-2H+K"	36.948606
"1564690"	349.069506	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+K-2H"	36.948606
"954759"	357.119094	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-H+HCOOH"	44.998194
"368601"	669.240001	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+HCOOH-H"	44.998201
"353577"	683.255651	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+Hac-H"	59.013851
"1501318"	371.134751	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Hac-H"	59.013851
"969952"	379.101051	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-H+NaCOOH"	66.980151
"116673"	347.090302	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+2Cl"	69.938804
"559515"	503.150752	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+2Cl"	69.938804
"1031598"	191.029852	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2Cl"	69.938804
"1250087"	391.039785	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Br"	78.918885
"1318367"	393.095772	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Cl+HCOOH"	80.974872
"1331853"	415.077729	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Cl+NaCOOH"	102.956829
"923641"	425.106486	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M-H+CF3COOH"	112.985586
"1303756"	461.083164	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Cl+CF3COOH"	148.962264
"1382524"	277.108224	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H-2H2O"	-35.012676
"1395280"	295.1182	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H-H2O"	-17.0027
"292415"	625.249076	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+H"	1.007276
"686294"	937.369976	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+H"	1.007276
"1357176"	313.128176	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H"	1.007276
"139179"	313.128176	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+2H"	2.014552
"574728"	469.188626	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+2H"	2.014552
"1047173"	157.067726	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2H"	2.014552
"215437"	209.087876	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+3H"	3.021828
"654998"	313.128176	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+3H"	3.021828
"1168748"	105.047576	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+3H"	3.021828
"436395"	642.275623	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+NH4"	18.033823
"798121"	954.396523	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+NH4"	18.033823
"1691902"	330.154723	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+NH4"	18.033823
"338724"	321.6414495	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+H+NH4"	19.041099
"736614"	477.7018995	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+H+NH4"	19.041099
"1489342"	165.5809995	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H+NH4"	19.041099
"404745"	647.231018	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+Na"	22.989218
"767926"	959.351918	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+Na"	22.989218
"1614929"	335.110118	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Na"	22.989218
"322785"	324.119147	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+H+Na"	23.996494
"721532"	480.179597	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+H+Na"	23.996494
"1475963"	168.058697	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H+Na"	23.996494
"1067383"	112.37489	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2H+Na"	25.00377
"1271609"	345.154386	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+CH3OH+H"	33.033486
"390920"	663.204958	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+K"	38.963158
"752642"	975.325858	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+K"	38.963158
"1554695"	351.084058	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+K"	38.963158
"312598"	332.106117	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+H+K"	39.970434
"705021"	488.166567	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+H+K"	39.970434
"1459580"	176.045667	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H+K"	39.970434
"250004"	666.275626	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+ACN+H"	42.033826
"1223807"	354.154726	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+ACN+H"	42.033826
"1208664"	177.581001	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+ACN+2H"	43.041102
"203601"	669.21296	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+2Na-H"	44.97116
"643402"	981.33386	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+2Na-H"	44.97116
"1145696"	357.09206	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2Na-H"	44.97116
"188223"	335.110118	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+2Na"	45.978436
"628387"	491.170568	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+2Na"	45.978436
"1131044"	179.049668	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2Na"	45.978436
"1413960"	119.702204	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H+2Na"	46.985712
"1444160"	359.133646	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H+HCOOH"	47.012746
"233127"	340.14314	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+3H2O+2H"	56.04448
"1521552"	373.18569	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+IsoProp+H"	61.06479
"422331"	343.097088	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+Na+K"	61.952376
"783694"	499.157538	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+Na+K"	61.952376
"1680752"	187.036638	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Na+K"	61.952376
"264356"	688.257568	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+ACN+Na"	64.015768
"1239981"	376.136668	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+ACN+Na"	64.015768
"1727049"	376.160193	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+NH4+HCOOH"	64.039293
"1193131"	127.029518	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+3Na"	68.967654
"1654638"	381.115588	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Na+HCOOH"	68.994688
"162594"	701.16084	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+2K-H"	76.91904
"602516"	1013.28174	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+2K-H"	76.91904
"1092129"	389.03994	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2K-H"	76.91904
"143846"	351.084058	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"2M+2K"	77.926316
"595923"	507.144508	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"3M+2K"	77.926316
"1074117"	195.023608	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2K"	77.926316
"1109513"	391.054492	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2K+H"	78.933592
"1339701"	391.142107	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+DMSO+H"	79.021207
"1013334"	395.181276	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2ACN+H"	83.060376
"1529272"	396.174908	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+IsoProp+Na+H"	84.054008
"995719"	198.094276	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+2ACN+2H"	84.067652
"1593504"	397.089528	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+K+HCOOH"	84.968628
"1421351"	427.121038	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+H+CF3COOH"	115.000138
"1161481"	218.607551	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+3ACN+2H"	125.094202
"1705566"	444.147585	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+NH4+CF3COOH"	132.026685
"1649119"	449.10298	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+Na+CF3COOH"	136.98208
"1584521"	465.07692	"C12076"	"Deoxyanisatin"	"C15H20O7"	"312.1209"	"M+K+CF3COOH"	152.95602
"815987"	302.2246	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M"	0
"986240"	283.20621	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"65735"	200.475790666667	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"506390"	301.217324	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"887472"	99.7342573333333	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"11518"	301.217324	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"451078"	452.329624	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"831067"	150.105024	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"91060"	603.441924	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"532810"	905.666524	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"905141"	301.217324	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"55142"	620.468471	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"493608"	922.693071	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"877979"	318.243871	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"45511"	625.423866	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"485686"	927.648466	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"861786"	323.199266	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1627308"	323.199266	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"103836"	319.205663	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"541211"	470.317963	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"934727"	168.093363	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"275472"	639.418602	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"668989"	941.643202	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1279204"	337.194002	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"23949"	641.397806	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"460229"	943.622406	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"834749"	339.173206	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1563707"	339.173206	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"950497"	347.222794	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"366890"	649.447401	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"359159"	663.463051	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1501429"	361.238451	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"964962"	369.204751	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"120795"	337.194002	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"559625"	488.306302	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1028431"	186.081702	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1252384"	381.143485	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1316655"	383.199472	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1334519"	405.181429	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"922293"	415.210186	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1301921"	451.186864	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1380810"	267.211924	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1396851"	285.2219	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"297387"	605.456476	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"686041"	907.681076	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1363848"	303.231876	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"139289"	303.231876	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"574109"	454.344176	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1046190"	152.119576	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"215547"	202.490342666667	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"657660"	303.231876	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1168858"	101.748809333333	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"436871"	622.483023	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"797137"	924.707623	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1692738"	320.258423	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"343210"	311.7451495	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"735634"	462.8574495	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1492635"	160.6328495	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"405584"	627.438418	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"766943"	929.663018	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1615039"	325.213818	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"323988"	314.222847	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"720788"	465.335147	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1476314"	163.110547	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1067861"	109.076123333333	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1272092"	335.258086	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"392447"	643.412358	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"753482"	945.636958	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1554805"	341.187758	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"312346"	322.209817	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"706469"	473.322117	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1458952"	171.097517	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"250685"	646.483026	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1224649"	344.258426	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1209737"	172.632851	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"203754"	649.42036	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"644169"	951.64496	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1146542"	347.19576	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"188213"	325.213818	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"628178"	476.326118	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1130793"	174.101518	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1412885"	116.403437333333	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1444267"	349.237346	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"235061"	330.24684	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1523119"	363.28939	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"422805"	333.200788	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"785020"	484.313088	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1680258"	182.088488	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"264466"	668.464968	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1240455"	366.240368	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1728220"	366.263893	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1192514"	123.730751333333	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1662405"	371.219288	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"172553"	681.36824	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"605546"	983.59284	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1097589"	379.14364	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"152340"	341.187758	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"596275"	492.300058	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1073132"	190.075458	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1115534"	381.158192	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1342726"	381.245807	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1016725"	385.284976	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1531568"	386.278608	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"996922"	193.146126	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1594707"	387.193228	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1420367"	417.224738	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1160498"	213.659401	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1708956"	434.251285	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1648987"	439.20668	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1584631"	455.18062	"C12077"	"Palustric acid;NSC 148945;813-Abietadien-18-oic acid"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"816097"	300.2089	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M"	0
"985257"	281.19051	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"70219"	199.131990666667	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"507592"	299.201624	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"886489"	99.0623573333333	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"5064"	299.201624	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"450095"	449.306074	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"831177"	149.097174	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"87888"	599.410524	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"531701"	899.619424	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"903064"	299.201624	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"57439"	616.437071	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"496998"	916.645971	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"878083"	316.228171	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"41608"	621.392466	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"483361"	921.601366	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"860803"	321.183566	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1627418"	321.183566	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"100666"	317.189963	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"538041"	467.294413	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"934837"	167.085513	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"275582"	635.387202	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"670192"	935.596102	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1279314"	335.178302	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"24059"	637.366406	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"457059"	937.575306	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"834859"	337.157506	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1563817"	337.157506	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"949512"	345.207094	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"368821"	645.416001	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"353799"	659.431651	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1498621"	359.222751	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"964707"	367.189051	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"116895"	335.178302	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"557912"	485.282752	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1031821"	185.073852	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1250307"	379.127785	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1314941"	381.183772	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1332803"	403.165729	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"923862"	413.194486	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1301669"	449.171164	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1380920"	265.196224	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1396959"	283.2062	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"297619"	601.425076	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"686151"	901.633976	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1359219"	301.216176	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"131378"	301.216176	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"569114"	451.320626	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1047029"	151.111726	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"215293"	201.146542666667	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"650843"	301.216176	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1167874"	101.076909333333	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"431146"	618.451623	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"798343"	918.660523	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1694310"	318.242723	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"342953"	309.7294495	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"734650"	459.8338995	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1490657"	159.6249995	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"406057"	623.407018	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"766326"	923.615918	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1612962"	323.198118	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"327377"	312.207147	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"722755"	462.311597	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1476183"	162.102697	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1067243"	108.404223333333	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1272633"	333.242386	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"391500"	639.380958	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"753593"	939.589858	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1554551"	339.172058	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"312090"	320.194117	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"706701"	470.298567	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1459062"	170.089667	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"250951"	642.451626	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1225453"	342.242726	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1209374"	171.625001	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"204032"	645.38896	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"644076"	945.59786	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1147047"	345.18006	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"188241"	323.198118	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"628485"	473.302568	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1131095"	173.093668	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1412022"	115.731537333333	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1443648"	347.221646	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"231157"	328.23114	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1523228"	361.27369	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"422187"	331.185088	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"784886"	481.289538	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1679150"	181.080638	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"264208"	664.433568	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1237285"	364.224668	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1727270"	364.248193	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1194172"	123.058851333333	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1662515"	369.203588	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"172624"	677.33684	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"606749"	977.54574	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1096606"	377.12794	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"152450"	339.172058	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"596385"	489.276508	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1073241"	189.067608	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1115573"	379.142492	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1341743"	379.230107	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1016835"	383.269276	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1532771"	384.262908	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"994845"	192.138276	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1591537"	385.177528	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1419384"	415.209038	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1161701"	212.651551	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1709066"	432.235585	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1649461"	437.19098	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1584741"	453.16492	"C12078"	"Dehydroabietic acid;(-)-Dehydroabietic acid;13-Isopropylpodocarpa-81113-trien-15-oic acid;Abieta-81113-trien-18-oic acid;Dehydroabietate"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"816570"	272.0896	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M"	0
"985367"	253.07121	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H2O-H"	-19.01839
"69236"	180.385790666667	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-3H"	-3.021828
"506609"	271.082324	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-3H"	-3.021828
"885506"	89.6892573333333	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-3H"	-3.021828
"4081"	271.082324	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H"	-2.014552
"450206"	407.127124	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H"	-2.014552
"829101"	135.037524	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H"	-2.014552
"84718"	543.171924	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-H"	-1.007276
"528652"	815.261524	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-H"	-1.007276
"899892"	271.082324	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H"	-1.007276
"50986"	560.198471	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H+NH4"	16.019271
"492735"	832.288071	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H+NH4"	16.019271
"874913"	288.108871	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H+NH4"	16.019271
"38438"	565.153866	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H+Na"	20.974666
"482377"	837.243466	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H+Na"	20.974666
"859091"	293.064266	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H+Na"	20.974666
"1627528"	293.064266	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na-2H"	20.974666
"100776"	289.070663	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-H+Cl"	33.962126
"538151"	425.115463	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-H+Cl"	33.962126
"934947"	153.025863	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+Cl"	33.962126
"269131"	579.148602	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Cl"	34.969402
"665927"	851.238202	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+Cl"	34.969402
"1278331"	307.059002	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl"	34.969402
"23075"	581.127806	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M-2H+K"	36.948606
"462635"	853.217406	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M-2H+K"	36.948606
"834969"	309.038206	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-2H+K"	36.948606
"1563926"	309.038206	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K-2H"	36.948606
"949623"	317.087794	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+HCOOH"	44.998194
"368931"	589.177401	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+HCOOH-H"	44.998201
"350629"	603.193051	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Hac-H"	59.013851
"1495451"	331.103451	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Hac-H"	59.013851
"961536"	339.069751	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+NaCOOH"	66.980151
"115912"	307.059002	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2Cl"	69.938804
"557657"	443.103802	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2Cl"	69.938804
"1031931"	171.014202	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2Cl"	69.938804
"1250417"	351.008485	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Br"	78.918885
"1312864"	353.064472	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl+HCOOH"	80.974872
"1331454"	375.046429	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl+NaCOOH"	102.956829
"924700"	385.075186	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M-H+CF3COOH"	112.985586
"1302869"	421.051864	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Cl+CF3COOH"	148.962264
"1381030"	237.076924	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H-2H2O"	-35.012676
"1397069"	255.0869	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H-H2O"	-17.0027
"296027"	545.186476	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H"	1.007276
"680429"	817.276076	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H"	1.007276
"1359693"	273.096876	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H"	1.007276
"131852"	273.096876	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2H"	2.014552
"569224"	409.141676	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2H"	2.014552
"1044587"	137.052076	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2H"	2.014552
"214674"	182.400342666667	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+3H"	3.021828
"646578"	273.096876	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+3H"	3.021828
"1169076"	91.7038093333334	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+3H"	3.021828
"425785"	562.213023	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+NH4"	18.033823
"791157"	834.302623	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+NH4"	18.033823
"1694784"	290.123423	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+NH4"	18.033823
"343064"	281.6101495	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H+NH4"	19.041099
"735849"	417.6549495	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H+NH4"	19.041099
"1490401"	145.5653495	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+NH4"	19.041099
"403977"	567.168418	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Na"	22.989218
"764974"	839.258018	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+Na"	22.989218
"1611977"	295.078818	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na"	22.989218
"324935"	284.087847	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H+Na"	23.996494
"722702"	420.132647	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H+Na"	23.996494
"1476534"	148.043047	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+Na"	23.996494
"1066623"	99.0311233333333	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2H+Na"	25.00377
"1272308"	305.123086	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+CH3OH+H"	33.033486
"390393"	583.142358	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+K"	38.963158
"753335"	855.231958	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+K"	38.963158
"1554539"	311.052758	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K"	38.963158
"310741"	292.074817	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+H+K"	39.970434
"705717"	428.119617	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+H+K"	39.970434
"1456986"	156.030017	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+K"	39.970434
"250819"	586.213026	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+ACN+H"	42.033826
"1225442"	314.123426	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+ACN+H"	42.033826
"1209486"	157.565351	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+ACN+2H"	43.041102
"204019"	589.15036	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2Na-H"	44.97116
"644068"	861.23996	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2Na-H"	44.97116
"1146794"	317.06076	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2Na-H"	44.97116
"188233"	295.078818	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2Na"	45.978436
"628477"	431.123618	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2Na"	45.978436
"1130680"	159.034018	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2Na"	45.978436
"1410914"	106.358437333333	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+2Na"	46.985712
"1443029"	319.102346	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+HCOOH"	47.012746
"230902"	300.11184	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+3H2O+2H"	56.04448
"1523218"	333.15439	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+IsoProp+H"	61.06479
"421567"	303.065788	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+Na+K"	61.952376
"785240"	439.110588	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+Na+K"	61.952376
"1679260"	167.020988	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na+K"	61.952376
"263589"	608.194968	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+ACN+Na"	64.015768
"1237395"	336.105368	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+ACN+Na"	64.015768
"1727866"	336.128893	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+NH4+HCOOH"	64.039293
"1192735"	113.685751333333	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+3Na"	68.967654
"1661532"	341.084288	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na+HCOOH"	68.994688
"172406"	621.09824	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2K-H"	76.91904
"606859"	893.18784	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2K-H"	76.91904
"1096837"	349.00864	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2K-H"	76.91904
"152560"	311.052758	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"2M+2K"	77.926316
"595402"	447.097558	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"3M+2K"	77.926316
"1070800"	175.007958	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2K"	77.926316
"1115273"	351.023192	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2K+H"	78.933592
"1339667"	351.110807	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+DMSO+H"	79.021207
"1015852"	355.149976	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2ACN+H"	83.060376
"1530695"	356.143608	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+IsoProp+Na+H"	84.054008
"993862"	178.078626	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+2ACN+2H"	84.067652
"1590918"	357.058228	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K+HCOOH"	84.968628
"1416214"	387.089738	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+H+CF3COOH"	115.000138
"1158531"	198.591901	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+3ACN+2H"	125.094202
"1709176"	404.116285	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+NH4+CF3COOH"	132.026685
"1649206"	409.07168	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+Na+CF3COOH"	136.98208
"1584851"	425.04562	"C12079"	"alpha-Arbutin;4-Hydroxyphenyl-alpha-D-glucopyranoside"	"C12H16O7"	"272.0896"	"M+K+CF3COOH"	152.95602
"816315"	376.0947	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M"	0
"983290"	357.07631	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-H2O-H"	-19.01839
"69346"	249.722524	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M-3H"	-3.021828
"509999"	375.087424	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M-3H"	-3.021828
"885616"	124.357624	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-3H"	-3.021828
"5284"	375.087424	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M-2H"	-2.014552
"452502"	563.134774	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M-2H"	-2.014552
"829576"	187.040074	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-2H"	-2.014552
"85920"	751.182124	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M-H"	-1.007276
"525482"	1127.276824	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M-H"	-1.007276
"898180"	375.087424	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-H"	-1.007276
"52189"	768.208671	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M-2H+NH4"	16.019271
"492845"	1144.303371	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M-2H+NH4"	16.019271
"873930"	392.113971	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-2H+NH4"	16.019271
"40734"	773.164066	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M-2H+Na"	20.974666
"482487"	1149.258766	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M-2H+Na"	20.974666
"861023"	397.069366	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-2H+Na"	20.974666
"1627638"	397.069366	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Na-2H"	20.974666
"104166"	393.075763	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M-H+Cl"	33.962126
"544821"	581.123113	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M-H+Cl"	33.962126
"938337"	205.028413	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-H+Cl"	33.962126
"272522"	787.158802	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+Cl"	34.969402
"667134"	1163.253502	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+Cl"	34.969402
"1279536"	411.064102	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Cl"	34.969402
"23188"	789.138006	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M-2H+K"	36.948606
"461655"	1165.232706	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M-2H+K"	36.948606
"838359"	413.043306	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-2H+K"	36.948606
"1564038"	413.043306	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+K-2H"	36.948606
"948640"	421.092894	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-H+HCOOH"	44.998194
"369043"	797.187601	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+HCOOH-H"	44.998201
"354022"	811.203251	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+Hac-H"	59.013851
"1495925"	435.108551	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Hac-H"	59.013851
"962374"	443.074851	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-H+NaCOOH"	66.980151
"117114"	411.064102	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+2Cl"	69.938804
"552298"	599.111452	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+2Cl"	69.938804
"1029850"	223.016752	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2Cl"	69.938804
"1245053"	455.013585	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Br"	78.918885
"1312970"	457.069572	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Cl+HCOOH"	80.974872
"1330466"	479.051529	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Cl+NaCOOH"	102.956829
"919338"	489.080286	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M-H+CF3COOH"	112.985586
"1293861"	525.056964	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Cl+CF3COOH"	148.962264
"1376400"	341.082024	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H-2H2O"	-35.012676
"1389883"	359.092	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H-H2O"	-17.0027
"284463"	753.196676	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+H"	1.007276
"677984"	1129.291376	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+H"	1.007276
"1353236"	377.101976	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H"	1.007276
"129040"	377.101976	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+2H"	2.014552
"566778"	565.149326	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+2H"	2.014552
"1042504"	189.054626	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2H"	2.014552
"210406"	251.737076	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+3H"	3.021828
"647046"	377.101976	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+3H"	3.021828
"1166265"	126.372176	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+3H"	3.021828
"427352"	770.223223	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+NH4"	18.033823
"788345"	1146.317923	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+NH4"	18.033823
"1685410"	394.128523	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+NH4"	18.033823
"339159"	385.6152495	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+H+NH4"	19.041099
"737741"	573.6625995	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+H+NH4"	19.041099
"1487595"	197.5678995	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H+NH4"	19.041099
"404087"	775.178618	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+Na"	22.989218
"760709"	1151.273318	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+Na"	22.989218
"1612086"	399.083918	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Na"	22.989218
"325409"	388.092947	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+H+Na"	23.996494
"721005"	576.140297	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+H+Na"	23.996494
"1474581"	200.045597	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H+Na"	23.996494
"1066611"	133.69949	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2H+Na"	25.00377
"1271932"	409.128186	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+CH3OH+H"	33.033486
"390624"	791.152558	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+K"	38.963158
"751621"	1167.247258	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+K"	38.963158
"1554892"	415.057858	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+K"	38.963158
"313038"	396.079917	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+H+K"	39.970434
"703272"	584.127267	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+H+K"	39.970434
"1459284"	208.032567	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H+K"	39.970434
"251221"	794.223226	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+ACN+H"	42.033826
"1225388"	418.128526	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+ACN+H"	42.033826
"1209759"	209.567901	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+ACN+2H"	43.041102
"203887"	797.16056	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+2Na-H"	44.97116
"643732"	1173.25526	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+2Na-H"	44.97116
"1146782"	421.06586	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2Na-H"	44.97116
"188222"	399.083918	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+2Na"	45.978436
"628345"	587.131268	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+2Na"	45.978436
"1130666"	211.036568	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2Na"	45.978436
"1410660"	141.026804	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H+2Na"	46.985712
"1443503"	423.107446	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H+HCOOH"	47.012746
"231012"	404.11694	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+3H2O+2H"	56.04448
"1519074"	437.15949	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+IsoProp+H"	61.06479
"418760"	407.070888	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+Na+K"	61.952376
"782308"	595.118238	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+Na+K"	61.952376
"1673900"	219.023538	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Na+K"	61.952376
"259325"	816.205168	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+ACN+Na"	64.015768
"1237505"	440.110468	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+ACN+Na"	64.015768
"1726403"	440.133993	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+NH4+HCOOH"	64.039293
"1192240"	148.354118	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+3Na"	68.967654
"1662986"	445.089388	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Na+HCOOH"	68.994688
"170576"	829.10844	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+2K-H"	76.91904
"608063"	1205.20314	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+2K-H"	76.91904
"1096947"	453.01374	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2K-H"	76.91904
"151577"	415.057858	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"2M+2K"	77.926316
"595999"	603.105208	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"3M+2K"	77.926316
"1072368"	227.010508	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2K"	77.926316
"1109953"	455.028292	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2K+H"	78.933592
"1341963"	455.115907	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+DMSO+H"	79.021207
"1010494"	459.155076	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2ACN+H"	83.060376
"1531898"	460.148708	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+IsoProp+Na+H"	84.054008
"995065"	230.081176	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+2ACN+2H"	84.067652
"1590664"	461.063328	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+K+HCOOH"	84.968628
"1416324"	491.094838	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+H+CF3COOH"	115.000138
"1158641"	250.594451	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+3ACN+2H"	125.094202
"1709286"	508.121385	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+NH4+CF3COOH"	132.026685
"1643844"	513.07678	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+Na+CF3COOH"	136.98208
"1584961"	529.05072	"C12080"	"Resistomycin"	"C22H16O6"	"376.0947"	"M+K+CF3COOH"	152.95602
"816062"	912.5083	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M"	0
"982306"	893.48991	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-H2O-H"	-19.01839
"67269"	607.331590666667	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M-3H"	-3.021828
"509016"	911.501024	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M-3H"	-3.021828
"881349"	303.162157333333	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-3H"	-3.021828
"6487"	911.501024	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M-2H"	-2.014552
"442766"	1367.755174	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M-2H"	-2.014552
"821662"	455.246874	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-2H"	-2.014552
"84935"	1824.009324	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M-H"	-1.007276
"531061"	2736.517624	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M-H"	-1.007276
"904484"	911.501024	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-H"	-1.007276
"55582"	1841.035871	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M-2H+NH4"	16.019271
"494048"	2753.544171	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M-2H+NH4"	16.019271
"874042"	928.527571	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-2H+NH4"	16.019271
"40844"	1845.991266	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M-2H+Na"	20.974666
"477128"	2758.499566	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M-2H+Na"	20.974666
"862225"	933.482966	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-2H+Na"	20.974666
"1632247"	933.482966	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Na-2H"	20.974666
"104276"	929.489363	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M-H+Cl"	33.962126
"544931"	1385.743513	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M-H+Cl"	33.962126
"938447"	473.235213	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-H+Cl"	33.962126
"272632"	1859.986002	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+Cl"	34.969402
"669427"	2772.494302	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+Cl"	34.969402
"1276728"	947.477702	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Cl"	34.969402
"23294"	1861.965206	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M-2H+K"	36.948606
"457751"	2774.473506	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M-2H+K"	36.948606
"834823"	949.456906	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-2H+K"	36.948606
"1565238"	949.456906	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+K-2H"	36.948606
"952030"	957.506494	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-H+HCOOH"	44.998194
"369152"	1870.014801	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+HCOOH-H"	44.998201
"353037"	1884.030451	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+Hac-H"	59.013851
"1501869"	971.522151	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Hac-H"	59.013851
"962119"	979.488451	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-H+NaCOOH"	66.980151
"112118"	947.477702	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+2Cl"	69.938804
"552039"	1403.731852	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+2Cl"	69.938804
"1028502"	491.223552	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2Cl"	69.938804
"1245528"	991.427185	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Br"	78.918885
"1311987"	993.483172	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Cl+HCOOH"	80.974872
"1330576"	1015.465129	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Cl+NaCOOH"	102.956829
"919448"	1025.493886	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M-H+CF3COOH"	112.985586
"1294335"	1061.470564	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Cl+CF3COOH"	148.962264
"1378696"	877.495624	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H-2H2O"	-35.012676
"1389993"	895.5056	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H-H2O"	-17.0027
"283482"	1826.023876	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+H"	1.007276
"678458"	2738.532176	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+H"	1.007276
"1352253"	913.515576	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H"	1.007276
"127328"	913.515576	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+2H"	2.014552
"566524"	1369.769726	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+2H"	2.014552
"1044801"	457.261426	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2H"	2.014552
"209423"	609.346142666667	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+3H"	3.021828
"647156"	913.515576	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+3H"	3.021828
"1165646"	305.176709333333	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+3H"	3.021828
"427097"	1843.050423	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+NH4"	18.033823
"787726"	2755.558723	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+NH4"	18.033823
"1682968"	930.542123	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+NH4"	18.033823
"340362"	922.0288495	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+H+NH4"	19.041099
"737527"	1378.2829995	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+H+NH4"	19.041099
"1485516"	465.7746995	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H+NH4"	19.041099
"402008"	1848.005818	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+Na"	22.989218
"764098"	2760.514118	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+Na"	22.989218
"1614382"	935.497518	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Na"	22.989218
"326612"	924.506547	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+H+Na"	23.996494
"722329"	1380.760697	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+H+Na"	23.996494
"1476275"	468.252397	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H+Na"	23.996494
"1067083"	312.504023333333	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2H+Na"	25.00377
"1272410"	945.541786	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+CH3OH+H"	33.033486
"387452"	1863.979758	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+K"	38.963158
"751731"	2776.488058	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+K"	38.963158
"1555007"	951.471458	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+K"	38.963158
"313148"	932.493517	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+H+K"	39.970434
"702289"	1388.747667	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+H+K"	39.970434
"1458665"	476.239367	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H+K"	39.970434
"250884"	1867.050426	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+ACN+H"	42.033826
"1222164"	954.542126	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+ACN+H"	42.033826
"1209540"	477.774701	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+ACN+2H"	43.041102
"203550"	1869.98776	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+2Na-H"	44.97116
"643721"	2782.49606	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+2Na-H"	44.97116
"1146807"	957.47946	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2Na-H"	44.97116
"188437"	935.497518	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+2Na"	45.978436
"627762"	1391.751668	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+2Na"	45.978436
"1129315"	479.243368	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2Na"	45.978436
"1412474"	319.831337333333	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H+2Na"	46.985712
"1441426"	959.521046	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H+HCOOH"	47.012746
"228935"	940.53054	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+3H2O+2H"	56.04448
"1519183"	973.57309	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+IsoProp+H"	61.06479
"415589"	943.484488	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+Na+K"	61.952376
"777678"	1399.738638	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+Na+K"	61.952376
"1672916"	487.230338	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Na+K"	61.952376
"257247"	1889.032368	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+ACN+Na"	64.015768
"1237251"	976.524068	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+ACN+Na"	64.015768
"1727926"	976.547593	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+NH4+HCOOH"	64.039293
"1193685"	327.158651333333	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+3Na"	68.967654
"1664793"	981.502988	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Na+HCOOH"	68.994688
"170443"	1901.93564	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+2K-H"	76.91904
"607080"	2814.44394	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+2K-H"	76.91904
"1095964"	989.42734	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2K-H"	76.91904
"152780"	951.471458	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"2M+2K"	77.926316
"595501"	1407.725608	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"3M+2K"	77.926316
"1072478"	495.217308	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2K"	77.926316
"1110063"	991.441892	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2K+H"	78.933592
"1340980"	991.529507	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+DMSO+H"	79.021207
"1011697"	995.568676	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2ACN+H"	83.060376
"1529822"	996.562308	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+IsoProp+Na+H"	84.054008
"992988"	498.287976	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+2ACN+2H"	84.067652
"1590774"	997.476928	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+K+HCOOH"	84.968628
"1416434"	1027.508438	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+H+CF3COOH"	115.000138
"1158751"	518.801251	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+3ACN+2H"	125.094202
"1706115"	1044.534985	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+NH4+CF3COOH"	132.026685
"1649058"	1049.49038	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+Na+CF3COOH"	136.98208
"1581790"	1065.46432	"C12081"	"Soyasaponin II"	"C47H76O17"	"912.5083"	"M+K+CF3COOH"	152.95602
"815688"	502.1534	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M"	0
"983509"	483.13501	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-H2O-H"	-19.01839
"68471"	333.761657333333	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M-3H"	-3.021828
"510220"	501.146124	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M-3H"	-3.021828
"883647"	166.377190666667	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-3H"	-3.021828
"6597"	501.146124	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M-2H"	-2.014552
"443969"	752.222824	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M-2H"	-2.014552
"818123"	250.069424	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-2H"	-2.014552
"81764"	1003.299524	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M-H"	-1.007276
"531167"	1505.452924	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M-H"	-1.007276
"902407"	501.146124	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-H"	-1.007276
"53501"	1020.326071	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M-2H+NH4"	16.019271
"500596"	1522.479471	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M-2H+NH4"	16.019271
"873050"	518.172671	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-2H+NH4"	16.019271
"39862"	1025.281466	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M-2H+Na"	20.974666
"476142"	1527.434866	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M-2H+Na"	20.974666
"861974"	523.128066	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-2H+Na"	20.974666
"1632235"	523.128066	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Na-2H"	20.974666
"108761"	519.134463	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M-H+Cl"	33.962126
"541761"	770.211163	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M-H+Cl"	33.962126
"935277"	268.057763	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-H+Cl"	33.962126
"272742"	1039.276202	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+Cl"	34.969402
"669537"	1541.429602	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+Cl"	34.969402
"1276474"	537.122802	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Cl"	34.969402
"23404"	1041.255406	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M-2H+K"	36.948606
"458589"	1543.408806	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M-2H+K"	36.948606
"835662"	539.102006	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-2H+K"	36.948606
"1565348"	539.102006	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+K-2H"	36.948606
"953233"	547.151594	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-H+HCOOH"	44.998194
"369262"	1049.305001	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+HCOOH-H"	44.998201
"355699"	1063.320651	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+Hac-H"	59.013851
"1501979"	561.167251	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Hac-H"	59.013851
"965509"	569.133551	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-H+NaCOOH"	66.980151
"112957"	537.122802	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+2Cl"	69.938804
"554338"	788.199502	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+2Cl"	69.938804
"1027884"	286.046102	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2Cl"	69.938804
"1245638"	581.072285	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Br"	78.918885
"1314283"	583.128272	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Cl+HCOOH"	80.974872
"1330686"	605.110229	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Cl+NaCOOH"	102.956829
"919558"	615.138986	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M-H+CF3COOH"	112.985586
"1296632"	651.115664	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Cl+CF3COOH"	148.962264
"1379899"	467.140724	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H-2H2O"	-35.012676
"1393019"	485.1507	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H-H2O"	-17.0027
"285779"	1005.314076	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+H"	1.007276
"680756"	1507.467476	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+H"	1.007276
"1354185"	503.160676	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H"	1.007276
"129990"	503.160676	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+2H"	2.014552
"567726"	754.237376	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+2H"	2.014552
"1044911"	252.083976	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2H"	2.014552
"208439"	335.776209333333	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+3H"	3.021828
"650182"	503.160676	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+3H"	3.021828
"1165025"	168.391742666667	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+3H"	3.021828
"426111"	1022.340623	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+NH4"	18.033823
"787837"	1524.494023	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+NH4"	18.033823
"1683440"	520.187223	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+NH4"	18.033823
"332082"	511.6739495	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+H+NH4"	19.041099
"730703"	762.7506495	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+H+NH4"	19.041099
"1483434"	260.5972495	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H+NH4"	19.041099
"395183"	1027.296018	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+Na"	22.989218
"758731"	1529.449418	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+Na"	22.989218
"1607929"	525.142618	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Na"	22.989218
"317966"	514.151647	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+H+Na"	23.996494
"722711"	765.228347	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+H+Na"	23.996494
"1476826"	263.074947	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H+Na"	23.996494
"1068249"	175.719056666667	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2H+Na"	25.00377
"1272401"	535.186886	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+CH3OH+H"	33.033486
"386469"	1043.269958	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+K"	38.963158
"754182"	1545.423358	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+K"	38.963158
"1555579"	541.116558	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+K"	38.963158
"313988"	522.138617	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+H+K"	39.970434
"705316"	773.215317	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+H+K"	39.970434
"1460599"	271.061917	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H+K"	39.970434
"249565"	1046.340626	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+ACN+H"	42.033826
"1222638"	544.187226	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+ACN+H"	42.033826
"1209322"	272.597251	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+ACN+2H"	43.041102
"204065"	1049.27796	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+2Na-H"	44.97116
"643941"	1551.43136	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+2Na-H"	44.97116
"1146609"	547.12456	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2Na-H"	44.97116
"188357"	525.142618	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+2Na"	45.978436
"628117"	776.219318	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+2Na"	45.978436
"1130153"	274.065918	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2Na"	45.978436
"1413434"	183.046370666667	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H+2Na"	46.985712
"1441536"	549.166146	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H+HCOOH"	47.012746
"229045"	530.17564	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+3H2O+2H"	56.04448
"1520386"	563.21819	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+IsoProp+H"	61.06479
"421166"	533.129588	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+Na+K"	61.952376
"781068"	784.206288	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+Na+K"	61.952376
"1670839"	282.052888	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Na+K"	61.952376
"257357"	1068.322568	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+ACN+Na"	64.015768
"1238453"	566.169168	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+ACN+Na"	64.015768
"1727345"	566.192693	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+NH4+HCOOH"	64.039293
"1193064"	190.373684666667	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+3Na"	68.967654
"1664659"	571.148088	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Na+HCOOH"	68.994688
"170914"	1081.22584	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+2K-H"	76.91904
"608283"	1583.37924	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+2K-H"	76.91904
"1097167"	579.07244	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2K-H"	76.91904
"153983"	541.116558	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"2M+2K"	77.926316
"595490"	792.193258	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"3M+2K"	77.926316
"1072588"	290.039858	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2K"	77.926316
"1110173"	581.086992	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2K+H"	78.933592
"1348624"	581.174607	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+DMSO+H"	79.021207
"1010714"	585.213776	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2ACN+H"	83.060376
"1528106"	586.207408	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+IsoProp+Na+H"	84.054008
"992733"	293.110526	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+2ACN+2H"	84.067652
"1590884"	587.122028	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+K+HCOOH"	84.968628
"1418731"	617.153538	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+H+CF3COOH"	115.000138
"1158861"	313.623801	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+3ACN+2H"	125.094202
"1706225"	634.180085	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+NH4+CF3COOH"	132.026685
"1649654"	639.13548	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+Na+CF3COOH"	136.98208
"1581900"	655.10942	"C12082"	"alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside;beta-Fabatriose"	"C18H30O16"	"502.1534"	"M+K+CF3COOH"	152.95602
"814457"	302.2246	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M"	0
"985806"	283.20621	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"70768"	200.475790666667	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"513610"	301.217324	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"881571"	99.7342573333333	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"6707"	301.217324	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"440121"	452.329624	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"817461"	150.105024	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"81874"	603.441924	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"531277"	905.666524	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"901424"	301.217324	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"51425"	620.468471	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"500099"	922.693071	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"870974"	318.243871	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"41065"	625.423866	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"476252"	927.648466	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"862442"	323.199266	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1631252"	323.199266	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"106685"	319.205663	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"542964"	470.317963	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"935387"	168.093363	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"275038"	639.418602	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"669646"	941.643202	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1276583"	337.194002	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"18774"	641.397806	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"456021"	943.622406	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"834678"	339.173206	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1560717"	339.173206	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"951154"	347.222794	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"366092"	649.447401	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"351797"	663.463051	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1496256"	361.238451	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"960515"	369.204751	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"113067"	337.194002	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"553354"	488.306302	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1029087"	186.081702	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1246841"	381.143485	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1314393"	383.199472	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1330796"	405.181429	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"919668"	415.210186	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1297471"	451.186864	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1379646"	267.211924	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1393129"	285.2219	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"288440"	605.456476	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"684146"	907.681076	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1354296"	303.231876	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"131193"	303.231876	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"567474"	454.344176	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1044657"	152.119576	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"209642"	202.490342666667	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"648106"	303.231876	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1163678"	101.748809333333	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"425493"	622.483023	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"787219"	924.707623	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1682091"	320.258423	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"331828"	311.7451495	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"729719"	462.8574495	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1483544"	160.6328495	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"394565"	627.438418	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"755561"	929.663018	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1605847"	325.213818	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"316977"	314.222847	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"721087"	465.335147	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1474174"	163.110547	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1065965"	109.076123333333	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1270557"	335.258086	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"389857"	643.412358	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"743198"	945.636958	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1548532"	341.187758	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"308990"	322.209817	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"703597"	473.322117	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1455967"	171.097517	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"241653"	646.483026	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1219829"	344.258426	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1202618"	172.632851	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"199865"	649.42036	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"639424"	951.64496	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1145485"	347.19576	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"186589"	325.213818	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"624687"	476.326118	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1126005"	174.101518	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1410623"	116.403437333333	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1440550"	349.237346	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"225872"	330.24684	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1517212"	363.28939	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"420178"	333.200788	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"780080"	484.313088	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1670949"	182.088488	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"253821"	668.464968	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1236740"	366.240368	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1723439"	366.263893	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1190985"	123.730751333333	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1659781"	371.219288	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"172113"	681.36824	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"608391"	983.59284	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1092903"	379.14364	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"154093"	341.187758	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"595600"	492.300058	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1072698"	190.075458	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1110283"	381.158192	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1346668"	381.245807	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1011917"	385.284976	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1527852"	386.278608	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"992115"	193.146126	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1594275"	387.193228	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1418841"	417.224738	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1152410"	213.659401	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1712535"	434.251285	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1649157"	439.20668	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1585291"	455.18062	"C12083"	"(5Z7E9E14Z17Z)-Eicosapentaenoic acid;(5Z7E9E14Z17Z)-Eicosapentaenoate"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"813474"	230.0579	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M"	0
"984822"	211.03951	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-H2O-H"	-19.01839
"66505"	152.364657333333	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M-3H"	-3.021828
"512627"	229.050624	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M-3H"	-3.021828
"883868"	75.6786906666667	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-3H"	-3.021828
"6818"	229.050624	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M-2H"	-2.014552
"440052"	344.079574	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M-2H"	-2.014552
"817371"	114.021674	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-2H"	-2.014552
"85265"	459.108524	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M-H"	-1.007276
"530173"	689.166424	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M-H"	-1.007276
"901534"	229.050624	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-H"	-1.007276
"53722"	476.135071	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M-2H+NH4"	16.019271
"498753"	706.192971	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M-2H+NH4"	16.019271
"875459"	246.077171	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-2H+NH4"	16.019271
"40080"	481.090466	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M-2H+Na"	20.974666
"478546"	711.148366	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M-2H+Na"	20.974666
"863647"	251.032566	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-2H+Na"	20.974666
"1629173"	251.032566	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Na-2H"	20.974666
"106795"	247.038963	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M-H+Cl"	33.962126
"545261"	362.067913	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M-H+Cl"	33.962126
"938050"	132.010013	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-H+Cl"	33.962126
"275148"	495.085202	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+Cl"	34.969402
"665383"	725.143102	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+Cl"	34.969402
"1277057"	265.027302	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Cl"	34.969402
"16698"	497.064406	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M-2H+K"	36.948606
"455969"	727.122306	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M-2H+K"	36.948606
"834059"	267.006506	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-2H+K"	36.948606
"1559734"	267.006506	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+K-2H"	36.948606
"951264"	275.056094	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-H+HCOOH"	44.998194
"368389"	505.114001	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+HCOOH-H"	44.998201
"351179"	519.129651	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+Hac-H"	59.013851
"1497094"	289.071751	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Hac-H"	59.013851
"961354"	297.038051	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-H+NaCOOH"	66.980151
"115000"	265.027302	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+2Cl"	69.938804
"550914"	380.056252	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+2Cl"	69.938804
"1030290"	149.998352	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2Cl"	69.938804
"1246222"	308.976785	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Br"	78.918885
"1311223"	311.032772	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Cl+HCOOH"	80.974872
"1327626"	333.014729	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Cl+NaCOOH"	102.956829
"919778"	343.043486	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M-H+CF3COOH"	112.985586
"1300497"	379.020164	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Cl+CF3COOH"	148.962264
"1380849"	195.045224	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H-2H2O"	-35.012676
"1393239"	213.0552	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H-H2O"	-17.0027
"287459"	461.123076	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+H"	1.007276
"684256"	691.180976	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+H"	1.007276
"1355136"	231.065176	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H"	1.007276
"131303"	231.065176	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+2H"	2.014552
"567583"	346.094126	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+2H"	2.014552
"1044767"	116.036226	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2H"	2.014552
"208659"	154.379209333333	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+3H"	3.021828
"650402"	231.065176	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+3H"	3.021828
"1164516"	77.6932426666667	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+3H"	3.021828
"428519"	478.149623	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+NH4"	18.033823
"790608"	708.207523	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+NH4"	18.033823
"1683659"	248.091723	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+NH4"	18.033823
"331937"	239.5784495	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+H+NH4"	19.041099
"727639"	354.6073995	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+H+NH4"	19.041099
"1482556"	124.5494995	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H+NH4"	19.041099
"393582"	483.105018	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+Na"	22.989218
"756764"	713.162918	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+Na"	22.989218
"1605957"	253.047118	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Na"	22.989218
"315021"	242.056147	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+H+Na"	23.996494
"721561"	357.085097	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+H+Na"	23.996494
"1476597"	127.027197	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H+Na"	23.996494
"1068268"	85.0205566666667	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2H+Na"	25.00377
"1270667"	263.091386	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+CH3OH+H"	33.033486
"390696"	499.078958	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+K"	38.963158
"748775"	729.136858	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+K"	38.963158
"1551922"	269.021058	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+K"	38.963158
"311652"	250.043117	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+H+K"	39.970434
"702614"	365.072067	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+H+K"	39.970434
"1460089"	135.014167	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H+K"	39.970434
"246135"	502.149626	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+ACN+H"	42.033826
"1222490"	272.091726	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+ACN+H"	42.033826
"1207101"	136.549501	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+ACN+2H"	43.041102
"202163"	505.08696	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+2Na-H"	44.97116
"641356"	735.14486	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+2Na-H"	44.97116
"1147024"	275.02906	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2Na-H"	44.97116
"187917"	253.047118	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+2Na"	45.978436
"627353"	368.076068	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+2Na"	45.978436
"1129032"	138.018168	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2Na"	45.978436
"1411826"	92.3478706666667	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H+2Na"	46.985712
"1442846"	277.070646	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H+HCOOH"	47.012746
"229262"	258.08014	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+3H2O+2H"	56.04448
"1521330"	291.12269	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+IsoProp+H"	61.06479
"423203"	261.034088	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+Na+K"	61.952376
"782376"	376.063038	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+Na+K"	61.952376
"1673246"	146.005138	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Na+K"	61.952376
"256482"	524.131568	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+ACN+Na"	64.015768
"1237579"	294.073668	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+ACN+Na"	64.015768
"1724642"	294.097193	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+NH4+HCOOH"	64.039293
"1191457"	99.6751846666667	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+3Na"	68.967654
"1659891"	299.052588	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Na+HCOOH"	68.994688
"159461"	537.03484	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+2K-H"	76.91904
"609592"	767.09274	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+2K-H"	76.91904
"1091918"	306.97694	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2K-H"	76.91904
"154203"	269.021058	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"2M+2K"	77.926316
"596521"	384.050008	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"3M+2K"	77.926316
"1074995"	153.992108	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2K"	77.926316
"1110393"	308.991492	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2K+H"	78.933592
"1344591"	309.079107	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+DMSO+H"	79.021207
"1008745"	313.118276	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2ACN+H"	83.060376
"1526867"	314.111908	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+IsoProp+Na+H"	84.054008
"991493"	157.062776	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+2ACN+2H"	84.067652
"1594385"	315.026528	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+K+HCOOH"	84.968628
"1418951"	345.058038	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+H+CF3COOH"	115.000138
"1152520"	177.576051	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+3ACN+2H"	125.094202
"1706446"	362.084585	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+NH4+CF3COOH"	132.026685
"1649267"	367.03998	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+Na+CF3COOH"	136.98208
"1585401"	383.01392	"C12085"	"Bis-noryangonin"	"C13H10O4"	"230.0579"	"M+K+CF3COOH"	152.95602
"812490"	272.0685	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M"	0
"981652"	253.05011	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"67708"	180.371724	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"510550"	271.061224	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"882884"	89.682224	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"5834"	271.061224	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"440369"	407.095474	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"818820"	135.026974	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"83188"	543.129724	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"528217"	815.198224	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"901644"	271.061224	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"53832"	560.156271	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"497768"	832.224771	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"875569"	288.087771	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"36911"	565.111666	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"474281"	837.180166	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"862299"	293.043166	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1630378"	293.043166	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"105813"	289.049563	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"543185"	425.083813	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"938889"	153.015313	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"272342"	579.106402	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"662941"	851.174902	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1272851"	307.037902	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"16033"	581.085606	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"455726"	853.154106	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"834289"	309.017106	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1556071"	309.017106	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"948094"	317.066694	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"367037"	589.135201	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"347274"	603.150851	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1496840"	331.082351	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"961464"	339.048651	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"115474"	307.037902	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"550128"	443.072152	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1030036"	171.003652	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1245602"	350.987385	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1311697"	353.043372	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1327736"	375.025329	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"919888"	385.054086	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1300243"	421.030764	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1379136"	237.055824	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1393349"	255.0658	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"290849"	545.144276	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"684366"	817.212776	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1355611"	273.075776	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"129592"	273.075776	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"568058"	409.110026	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1045241"	137.041526	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"206947"	182.386276	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"648326"	273.075776	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1165356"	91.696776	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"428629"	562.170823	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"789624"	834.239323	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1685955"	290.102323	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"335327"	281.5890495	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"726656"	417.6232995	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1482666"	145.5547995	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"396971"	567.126218	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"755780"	839.194718	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1607160"	295.057718	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"316588"	284.066747	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"722037"	420.100997	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1475732"	148.032497	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1067404"	99.02409	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1270048"	305.101986	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"389713"	583.100158	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"747792"	855.168658	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1550939"	311.031658	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"311033"	292.053717	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"700538"	428.087967	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1460199"	156.019467	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"247705"	586.170826	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1222600"	314.102326	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1206482"	157.554801	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"200814"	589.10816	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"640009"	861.17666	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1144976"	317.03966	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"186081"	295.057718	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"625637"	431.091968	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1128414"	159.023468	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1409386"	106.351404	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1440771"	319.081246	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"229370"	300.09074	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1516338"	333.13329	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"418210"	303.044688	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"780664"	439.078938	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1671169"	167.010438	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"255499"	608.152768	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1231492"	336.084268	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1714911"	336.107793	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1191202"	113.678718	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1658907"	341.063188	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"159207"	621.05604	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"609702"	893.12454	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1092028"	348.98754	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"154313"	311.031658	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"594848"	447.065908	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1071825"	174.997408	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1108317"	351.002092	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1341421"	351.089707	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1008855"	355.128876	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1526978"	356.122508	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"992335"	178.068076	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1594495"	357.037128	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1416874"	387.068638	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1152630"	198.581351	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1704369"	404.095185	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1648405"	409.05058	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1585511"	425.02452	"C12087"	"p-Coumaroyltriacetic acid lactone"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"812600"	162.0681	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M"	0
"983949"	143.04971	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"68911"	107.038124	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"509566"	161.060824	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"885181"	53.015424	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"3757"	161.060824	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"441130"	242.094874	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"819293"	80.026774	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"83298"	323.128924	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"526141"	485.197024	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"900661"	161.060824	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"49567"	340.155471	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"494597"	502.223571	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"876773"	178.087371	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"38114"	345.110866	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"474391"	507.178966	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"859856"	183.042766	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1630488"	183.042766	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"105923"	179.049163	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"544388"	260.083213	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"937906"	98.015113	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"272452"	359.105602	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"663051"	521.173702	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1273014"	197.037502	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"16347"	361.084806	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"456060"	523.152906	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"834278"	199.016706	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1556427"	199.016706	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"949297"	207.066294	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"366783"	369.134401	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"348477"	383.150051	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1499865"	221.081951	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"960115"	229.048251	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"116313"	197.037502	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"550401"	278.071552	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1027228"	116.003452	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1246439"	240.986985	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1310712"	243.042972	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1322375"	265.024929	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"915987"	275.053686	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1294883"	311.030364	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1374139"	127.055424	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1393459"	145.0654	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"290959"	325.143476	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"687756"	487.211576	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1357544"	163.075376	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"128608"	163.075376	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"568897"	244.109426	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1045351"	82.041326	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"205964"	109.052676	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"645399"	163.075376	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1165467"	55.029976	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"425460"	342.170023	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"789734"	504.238123	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1683513"	180.101923	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"332157"	171.5886495	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"725672"	252.6226995	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1482776"	90.5545995	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"395259"	347.125418	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"755890"	509.193518	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1606172"	185.057318	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"315483"	174.066347	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"719582"	255.100397	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1475235"	93.032297	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1067757"	62.35729	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1270886"	195.101586	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"390187"	363.099358	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"742435"	525.167458	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1552143"	201.031258	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"309320"	182.053317	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"697368"	263.087367	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1460186"	101.019267	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"247450"	366.170026	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1223804"	204.101926	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1206957"	102.554601	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"200924"	369.10736	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"641576"	531.17546	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1145452"	207.03926	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"187284"	185.057318	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"627205"	266.091368	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1130224"	104.023268	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1412047"	69.684604	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1441610"	209.080846	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"228387"	190.09034	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1516448"	223.13289	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"417592"	193.044288	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"777859"	274.078338	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1673466"	112.010238	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"256702"	388.151968	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1231602"	226.083868	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1718301"	226.107393	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1192405"	77.011918	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1657924"	231.062788	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"159681"	401.05524	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"609812"	563.12334	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1092138"	238.98714	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"146768"	201.031258	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"596057"	282.065308	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1073028"	119.997208	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1109520"	241.001692	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1340437"	241.089307	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1008965"	245.128476	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1528184"	246.122108	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"1000100"	123.067876	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1592418"	247.036728	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1425732"	277.068238	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1152740"	143.581151	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1706666"	294.094785	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1647784"	299.05018	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1585621"	315.02412	"C12088"	"4-Hydroxycinnamoylmethane;p-Hydroxybenzalacetone;4-(p-Hydroxyphenyl)-3-buten-2-one"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"814898"	307.0878	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M"	0
"981872"	288.06941	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-H2O-H"	-19.01839
"71210"	203.717924	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M-3H"	-3.021828
"507491"	306.080524	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M-3H"	-3.021828
"889666"	101.355324	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-3H"	-3.021828
"2774"	306.080524	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M-2H"	-2.014552
"440227"	459.624424	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M-2H"	-2.014552
"818311"	152.536624	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-2H"	-2.014552
"83408"	613.168324	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M-H"	-1.007276
"527344"	920.256124	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M-H"	-1.007276
"900771"	306.080524	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-H"	-1.007276
"48582"	630.194871	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M-2H+NH4"	16.019271
"495800"	937.282671	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M-2H+NH4"	16.019271
"875790"	323.107071	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-2H+NH4"	16.019271
"36038"	635.150266	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M-2H+Na"	20.974666
"477782"	942.238066	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M-2H+Na"	20.974666
"861059"	328.062466	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-2H+Na"	20.974666
"1632416"	328.062466	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Na-2H"	20.974666
"106032"	324.068863	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M-H+Cl"	33.962126
"542312"	477.612763	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M-H+Cl"	33.962126
"936921"	170.524963	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-H+Cl"	33.962126
"268426"	649.145002	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+Cl"	34.969402
"667899"	956.232802	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+Cl"	34.969402
"1281763"	342.057202	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Cl"	34.969402
"17877"	651.124206	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M-2H+K"	36.948606
"456097"	958.212006	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M-2H+K"	36.948606
"835483"	344.036406	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-2H+K"	36.948606
"1557511"	344.036406	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+K-2H"	36.948606
"949043"	352.085994	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-H+HCOOH"	44.998194
"367257"	659.173801	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+HCOOH-H"	44.998201
"348223"	673.189451	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+Hac-H"	59.013851
"1499248"	366.101651	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Hac-H"	59.013851
"963872"	374.067951	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-H+NaCOOH"	66.980151
"116423"	342.057202	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+2Cl"	69.938804
"550065"	495.601102	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+2Cl"	69.938804
"1027338"	188.513302	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2Cl"	69.938804
"1245457"	386.006685	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Br"	78.918885
"1310458"	388.062672	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Cl+HCOOH"	80.974872
"1322849"	410.044629	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Cl+NaCOOH"	102.956829
"916826"	420.073386	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M-H+CF3COOH"	112.985586
"1292805"	456.050064	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Cl+CF3COOH"	148.962264
"1373885"	272.075124	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H-2H2O"	-35.012676
"1392112"	290.0851	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H-H2O"	-17.0027
"288882"	615.182876	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+H"	1.007276
"687866"	922.270676	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+H"	1.007276
"1358748"	308.095076	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H"	1.007276
"128355"	308.095076	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+2H"	2.014552
"573382"	461.638976	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+2H"	2.014552
"1042181"	154.551176	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2H"	2.014552
"206074"	205.732476	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+3H"	3.021828
"644781"	308.095076	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+3H"	3.021828
"1163108"	103.369876	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+3H"	3.021828
"427756"	632.209423	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+NH4"	18.033823
"786930"	939.297223	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+NH4"	18.033823
"1686172"	325.121623	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+NH4"	18.033823
"335545"	316.6083495	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+H+NH4"	19.041099
"725783"	470.1522495	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+H+NH4"	19.041099
"1478513"	163.0644495	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H+NH4"	19.041099
"393912"	637.164818	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+Na"	22.989218
"756000"	944.252618	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+Na"	22.989218
"1604459"	330.077018	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Na"	22.989218
"317413"	319.086047	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+H+Na"	23.996494
"719692"	472.629947	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+H+Na"	23.996494
"1473520"	165.542147	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H+Na"	23.996494
"1066761"	110.69719	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2H+Na"	25.00377
"1269534"	340.121286	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+CH3OH+H"	33.033486
"388109"	653.138758	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+K"	38.963158
"743638"	960.226558	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+K"	38.963158
"1552252"	346.050958	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+K"	38.963158
"307243"	327.073017	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+H+K"	39.970434
"696383"	480.616917	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+H+K"	39.970434
"1460419"	173.529117	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H+K"	39.970434
"249750"	656.209426	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+ACN+H"	42.033826
"1224040"	349.121626	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+ACN+H"	42.033826
"1207798"	175.064451	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+ACN+2H"	43.041102
"204107"	659.14676	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+2Na-H"	44.97116
"643392"	966.23456	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+2Na-H"	44.97116
"1146049"	352.05896	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2Na-H"	44.97116
"187880"	330.077018	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+2Na"	45.978436
"627682"	483.620918	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+2Na"	45.978436
"1130336"	176.533118	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2Na"	45.978436
"1413009"	118.024504	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H+2Na"	46.985712
"1443178"	354.100546	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H+HCOOH"	47.012746
"229593"	335.11004	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+3H2O+2H"	56.04448
"1520933"	368.15259	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+IsoProp+H"	61.06479
"417337"	338.063988	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+Na+K"	61.952376
"778333"	491.607888	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+Na+K"	61.952376
"1674668"	184.520088	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Na+K"	61.952376
"256813"	678.191368	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+ACN+Na"	64.015768
"1230617"	371.103568	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+ACN+Na"	64.015768
"1715493"	371.127093	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+NH4+HCOOH"	64.039293
"1185954"	125.351818	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+3Na"	68.967654
"1658034"	376.082488	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Na+HCOOH"	68.994688
"162708"	691.09464	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+2K-H"	76.91904
"600081"	998.18244	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+2K-H"	76.91904
"1092249"	384.00684	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2K-H"	76.91904
"146878"	346.050958	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"2M+2K"	77.926316
"594094"	499.594858	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"3M+2K"	77.926316
"1072045"	192.507058	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2K"	77.926316
"1108537"	386.021392	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2K+H"	78.933592
"1339454"	386.109007	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+DMSO+H"	79.021207
"1012357"	390.148176	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2ACN+H"	83.060376
"1527200"	391.141808	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+IsoProp+Na+H"	84.054008
"994742"	195.577726	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+2ACN+2H"	84.067652
"1588154"	392.056428	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+K+HCOOH"	84.968628
"1419281"	422.087938	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+H+CF3COOH"	115.000138
"1156130"	216.091001	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+3ACN+2H"	125.094202
"1710056"	439.114485	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+NH4+CF3COOH"	132.026685
"1647894"	444.06988	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+Na+CF3COOH"	136.98208
"1585731"	460.04382	"C12089"	"NAC-Diketide"	"C15H17NO4S"	"307.0878"	"M+K+CF3COOH"	152.95602
"812820"	244.0736	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M"	0
"983075"	225.05521	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-H2O-H"	-19.01839
"65853"	161.708457333333	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M-3H"	-3.021828
"506508"	243.066324	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M-3H"	-3.021828
"887589"	80.3505906666667	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-3H"	-3.021828
"3977"	243.066324	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M-2H"	-2.014552
"442443"	365.103124	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M-2H"	-2.014552
"819150"	121.029524	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-2H"	-2.014552
"82421"	487.139924	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M-H"	-1.007276
"520890"	731.213524	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M-H"	-1.007276
"896508"	243.066324	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-H"	-1.007276
"49058"	504.166471	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M-2H+NH4"	16.019271
"492630"	748.240071	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M-2H+NH4"	16.019271
"872620"	260.092871	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-2H+NH4"	16.019271
"39428"	509.121866	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M-2H+Na"	20.974666
"474612"	753.195466	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M-2H+Na"	20.974666
"860805"	265.048266	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-2H+Na"	20.974666
"1632526"	265.048266	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Na-2H"	20.974666
"108328"	261.054663	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M-H+Cl"	33.962126
"542421"	383.091463	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M-H+Cl"	33.962126
"933750"	139.017863	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-H+Cl"	33.962126
"268781"	523.116602	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+Cl"	34.969402
"668009"	767.190202	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+Cl"	34.969402
"1282602"	279.043002	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Cl"	34.969402
"18959"	525.095806	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M-2H+K"	36.948606
"456209"	769.169406	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M-2H+K"	36.948606
"836686"	281.022206	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-2H+K"	36.948606
"1557257"	281.022206	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+K-2H"	36.948606
"951705"	289.071794	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-H+HCOOH"	44.998194
"366639"	533.145401	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+HCOOH-H"	44.998201
"347968"	547.161051	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+Hac-H"	59.013851
"1498264"	303.087451	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Hac-H"	59.013851
"963618"	311.053751	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-H+NaCOOH"	66.980151
"116169"	279.043002	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+2Cl"	69.938804
"550296"	401.079802	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+2Cl"	69.938804
"1027448"	157.006202	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2Cl"	69.938804
"1245203"	322.992485	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Br"	78.918885
"1304408"	325.048472	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Cl+HCOOH"	80.974872
"1323324"	347.030429	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Cl+NaCOOH"	102.956829
"913653"	357.059186	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M-H+CF3COOH"	112.985586
"1291457"	393.035864	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Cl+CF3COOH"	148.962264
"1369618"	209.060924	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H-2H2O"	-35.012676
"1390398"	227.0709	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H-H2O"	-17.0027
"294096"	489.154476	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+H"	1.007276
"681415"	733.228076	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+H"	1.007276
"1352660"	245.080876	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H"	1.007276
"125913"	245.080876	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+2H"	2.014552
"570212"	367.117676	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+2H"	2.014552
"1039009"	123.044076	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2H"	2.014552
"208006"	163.723009333333	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+3H"	3.021828
"644648"	245.080876	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+3H"	3.021828
"1163624"	82.3651426666667	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+3H"	3.021828
"426773"	506.181023	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+NH4"	18.033823
"788862"	750.254623	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+NH4"	18.033823
"1687376"	262.107423	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+NH4"	18.033823
"335655"	253.5941495	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+H+NH4"	19.041099
"723828"	375.6309495	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+H+NH4"	19.041099
"1480807"	131.5573495	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H+NH4"	19.041099
"396570"	511.136418	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+Na"	22.989218
"757204"	755.210018	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+Na"	22.989218
"1603238"	267.062818	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Na"	22.989218
"316429"	256.071847	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+H+Na"	23.996494
"722477"	378.108647	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+H+Na"	23.996494
"1472528"	134.035047	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H+Na"	23.996494
"1064683"	89.6924566666667	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2H+Na"	25.00377
"1270737"	277.107086	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+CH3OH+H"	33.033486
"390406"	527.110358	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+K"	38.963158
"743744"	771.183958	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+K"	38.963158
"1547988"	283.036758	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+K"	38.963158
"307353"	264.058817	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+H+K"	39.970434
"696493"	386.095617	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+H+K"	39.970434
"1461223"	142.022017	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H+K"	39.970434
"250713"	530.181026	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+ACN+H"	42.033826
"1225285"	286.107426	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+ACN+H"	42.033826
"1209654"	143.557351	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+ACN+2H"	43.041102
"202967"	533.11836	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+2Na-H"	44.97116
"644029"	777.19196	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+2Na-H"	44.97116
"1146975"	289.04476	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2Na-H"	44.97116
"188527"	267.062818	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+2Na"	45.978436
"628379"	389.099618	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+2Na"	45.978436
"1129351"	145.026018	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2Na"	45.978436
"1413117"	97.0197706666667	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H+2Na"	46.985712
"1443653"	291.086346	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H+HCOOH"	47.012746
"231889"	272.09584	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+3H2O+2H"	56.04448
"1522136"	305.13839	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+IsoProp+H"	61.06479
"416354"	275.049788	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+Na+K"	61.952376
"778443"	397.086588	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+Na+K"	61.952376
"1676965"	153.012988	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Na+K"	61.952376
"258016"	552.162968	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+ACN+Na"	64.015768
"1230727"	308.089368	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+ACN+Na"	64.015768
"1716332"	308.112893	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+NH4+HCOOH"	64.039293
"1186064"	104.347084666667	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+3Na"	68.967654
"1658144"	313.068288	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Na+HCOOH"	68.994688
"162818"	565.06624	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+2K-H"	76.91904
"601284"	809.13984	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+2K-H"	76.91904
"1092359"	320.99264	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2K-H"	76.91904
"146988"	283.036758	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"2M+2K"	77.926316
"589829"	405.073558	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"3M+2K"	77.926316
"1077623"	160.999958	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2K"	77.926316
"1106459"	323.007192	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2K+H"	78.933592
"1338470"	323.094807	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+DMSO+H"	79.021207
"1012467"	327.133976	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2ACN+H"	83.060376
"1527310"	328.127608	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+IsoProp+Na+H"	84.054008
"994852"	164.070626	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+2ACN+2H"	84.067652
"1589356"	329.042228	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+K+HCOOH"	84.968628
"1419391"	359.073738	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+H+CF3COOH"	115.000138
"1155147"	184.583901	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+3ACN+2H"	125.094202
"1703605"	376.100285	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+NH4+CF3COOH"	132.026685
"1648004"	381.05568	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+Na+CF3COOH"	136.98208
"1585841"	397.02962	"C12090"	"Methylstyrylpyron"	"C14H12O4"	"244.0736"	"M+K+CF3COOH"	152.95602
"816210"	858.4249	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M"	0
"983185"	839.40651	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-H2O-H"	-19.01839
"68149"	571.275990666667	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M-3H"	-3.021828
"506617"	857.417624	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M-3H"	-3.021828
"884420"	285.134357333333	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-3H"	-3.021828
"4088"	857.417624	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M-2H"	-2.014552
"441460"	1286.630074	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M-2H"	-2.014552
"817146"	428.205174	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-2H"	-2.014552
"78760"	1715.842524	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M-H"	-1.007276
"518932"	2574.267424	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M-H"	-1.007276
"896618"	857.417624	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-H"	-1.007276
"47304"	1732.869071	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M-2H+NH4"	16.019271
"491647"	2591.293971	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M-2H+NH4"	16.019271
"871638"	874.444171	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-2H+NH4"	16.019271
"38445"	1737.824466	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M-2H+Na"	20.974666
"474722"	2596.249366	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M-2H+Na"	20.974666
"849285"	879.399566	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-2H+Na"	20.974666
"1620969"	879.399566	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Na-2H"	20.974666
"98592"	875.405963	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M-H+Cl"	33.962126
"540343"	1304.618413	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M-H+Cl"	33.962126
"932766"	446.193513	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-H+Cl"	33.962126
"267126"	1751.819202	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+Cl"	34.969402
"660014"	2610.244102	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+Cl"	34.969402
"1272758"	893.394302	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Cl"	34.969402
"15739"	1753.798406	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M-2H+K"	36.948606
"455805"	2612.223306	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M-2H+K"	36.948606
"832851"	895.373506	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-2H+K"	36.948606
"1556150"	895.373506	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+K-2H"	36.948606
"943422"	903.423094	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-H+HCOOH"	44.998194
"362087"	1761.848001	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+HCOOH-H"	44.998201
"347350"	1775.863651	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+Hac-H"	59.013851
"1500561"	917.438751	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Hac-H"	59.013851
"965915"	925.405051	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-H+NaCOOH"	66.980151
"115915"	893.394302	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+2Cl"	69.938804
"550122"	1322.606752	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+2Cl"	69.938804
"1026465"	464.181852	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2Cl"	69.938804
"1244949"	937.343785	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Br"	78.918885
"1304478"	939.399772	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Cl+HCOOH"	80.974872
"1323798"	961.381729	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Cl+NaCOOH"	102.956829
"913763"	971.410486	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M-H+CF3COOH"	112.985586
"1291567"	1007.387164	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Cl+CF3COOH"	148.962264
"1369362"	823.412224	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H-2H2O"	-35.012676
"1390508"	841.4222	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H-H2O"	-17.0027
"296393"	1717.857076	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+H"	1.007276
"681525"	2576.281976	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+H"	1.007276
"1353499"	859.432176	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H"	1.007276
"127117"	859.432176	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+2H"	2.014552
"567042"	1288.644626	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+2H"	2.014552
"1038389"	430.219726	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2H"	2.014552
"205560"	573.290542666667	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+3H"	3.021828
"645002"	859.432176	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+3H"	3.021828
"1163856"	287.148909333333	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+3H"	3.021828
"425789"	1734.883623	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+NH4"	18.033823
"791161"	2593.308523	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+NH4"	18.033823
"1687487"	876.458723	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+NH4"	18.033823
"336859"	867.9454495	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+H+NH4"	19.041099
"725274"	1297.1578995	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+H+NH4"	19.041099
"1481644"	438.7329995	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H+NH4"	19.041099
"399596"	1739.839018	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+Na"	22.989218
"758408"	2598.263918	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+Na"	22.989218
"1603711"	881.414118	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Na"	22.989218
"318726"	870.423147	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+H+Na"	23.996494
"720642"	1299.635597	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+H+Na"	23.996494
"1467169"	441.210697	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H+Na"	23.996494
"1060419"	294.476223333333	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2H+Na"	25.00377
"1263188"	891.458386	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+CH3OH+H"	33.033486
"383950"	1755.812958	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+K"	38.963158
"741663"	2614.237858	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+K"	38.963158
"1542984"	897.388058	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+K"	38.963158
"307463"	878.410117	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+H+K"	39.970434
"695508"	1307.622567	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+H+K"	39.970434
"1461004"	449.197667	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H+K"	39.970434
"251350"	1758.883626	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+ACN+H"	42.033826
"1225477"	900.458726	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+ACN+H"	42.033826
"1209354"	450.733001	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+ACN+2H"	43.041102
"204267"	1761.82096	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+2Na-H"	44.97116
"644181"	2620.24586	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+2Na-H"	44.97116
"1146759"	903.39606	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2Na-H"	44.97116
"188349"	881.414118	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+2Na"	45.978436
"624983"	1310.626568	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+2Na"	45.978436
"1128123"	452.201668	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2Na"	45.978436
"1410187"	301.803537333333	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H+2Na"	46.985712
"1441209"	905.437646	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H+HCOOH"	47.012746
"230905"	886.44714	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+3H2O+2H"	56.04448
"1521153"	919.48969	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+IsoProp+H"	61.06479
"415371"	889.401088	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+Na+K"	61.952376
"778553"	1318.613538	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+Na+K"	61.952376
"1672702"	460.188638	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Na+K"	61.952376
"254846"	1780.865568	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+ACN+Na"	64.015768
"1228282"	922.440668	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+ACN+Na"	64.015768
"1718624"	922.464193	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+NH4+HCOOH"	64.039293
"1180341"	309.130851333333	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+3Na"	68.967654
"1654973"	927.419588	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Na+HCOOH"	68.994688
"162928"	1793.76884	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+2K-H"	76.91904
"604674"	2652.19374	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+2K-H"	76.91904
"1090282"	935.34394	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2K-H"	76.91904
"143818"	897.388058	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"2M+2K"	77.926316
"586659"	1326.600508	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"3M+2K"	77.926316
"1076640"	468.175608	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2K"	77.926316
"1104382"	937.358492	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2K+H"	78.933592
"1338580"	937.446107	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+DMSO+H"	79.021207
"1009297"	941.485276	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2ACN+H"	83.060376
"1527420"	942.478908	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+IsoProp+Na+H"	84.054008
"994962"	471.246276	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+2ACN+2H"	84.067652
"1587762"	943.393528	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+K+HCOOH"	84.968628
"1416221"	973.425038	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+H+CF3COOH"	115.000138
"1155257"	491.759551	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+3ACN+2H"	125.094202
"1703715"	990.451585	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+NH4+CF3COOH"	132.026685
"1647021"	995.40698	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+Na+CF3COOH"	136.98208
"1585951"	1011.38092	"C12091"	"Cerberoside"	"C42H66O18"	"858.4249"	"M+K+CF3COOH"	152.95602
"815228"	900.168	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M"	0
"986575"	881.14961	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-H2O-H"	-19.01839
"71540"	599.104724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M-3H"	-3.021828
"510008"	899.160724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M-3H"	-3.021828
"887812"	299.048724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-3H"	-3.021828
"4199"	899.160724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M-2H"	-2.014552
"452146"	1349.244724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M-2H"	-2.014552
"820467"	449.076724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-2H"	-2.014552
"85927"	1799.328724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M-H"	-1.007276
"518921"	2699.496724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M-H"	-1.007276
"897821"	899.160724	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-H"	-1.007276
"52195"	1816.355271	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M-2H+NH4"	16.019271
"491758"	2716.523271	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M-2H+NH4"	16.019271
"875028"	916.187271	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-2H+NH4"	16.019271
"42565"	1821.310666	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M-2H+Na"	20.974666
"479208"	2721.478666	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M-2H+Na"	20.974666
"853728"	921.142666	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-2H+Na"	20.974666
"1622173"	921.142666	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Na-2H"	20.974666
"101982"	917.149063	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M-H+Cl"	33.962126
"538267"	1367.233063	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M-H+Cl"	33.962126
"929959"	467.065063	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-H+Cl"	33.962126
"267144"	1835.305402	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+Cl"	34.969402
"660194"	2735.473402	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+Cl"	34.969402
"1273203"	935.137402	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Cl"	34.969402
"16004"	1837.284606	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M-2H+K"	36.948606
"456052"	2737.452606	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M-2H+K"	36.948606
"832937"	937.116606	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-2H+K"	36.948606
"1555850"	937.116606	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+K-2H"	36.948606
"943289"	945.166194	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-H+HCOOH"	44.998194
"362847"	1845.334201	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+HCOOH-H"	44.998201
"346846"	1859.349851	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+Hac-H"	59.013851
"1499578"	959.181851	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Hac-H"	59.013851
"966025"	967.148151	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-H+NaCOOH"	66.980151
"113837"	935.137402	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+2Cl"	69.938804
"552302"	1385.221402	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+2Cl"	69.938804
"1026575"	485.053402	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2Cl"	69.938804
"1243720"	979.086885	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Br"	78.918885
"1304466"	981.142872	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Cl+HCOOH"	80.974872
"1323179"	1003.124829	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Cl+NaCOOH"	102.956829
"913144"	1013.153586	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M-H+CF3COOH"	112.985586
"1291677"	1049.130264	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Cl+CF3COOH"	148.962264
"1367885"	865.155324	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H-2H2O"	-35.012676
"1390618"	883.1653	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H-H2O"	-17.0027
"296139"	1801.343276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+H"	1.007276
"681635"	2701.511276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+H"	1.007276
"1353609"	901.175276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H"	1.007276
"127105"	901.175276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+2H"	2.014552
"567273"	1351.259276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+2H"	2.014552
"1038378"	451.091276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2H"	2.014552
"209320"	601.119276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+3H"	3.021828
"645112"	901.175276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+3H"	3.021828
"1163237"	301.063276	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+3H"	3.021828
"426994"	1818.369823	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+NH4"	18.033823
"791271"	2718.537823	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+NH4"	18.033823
"1685412"	918.201823	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+NH4"	18.033823
"332596"	909.6885495	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+H+NH4"	19.041099
"727206"	1359.7725495	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+H+NH4"	19.041099
"1482119"	459.6045495	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H+NH4"	19.041099
"397519"	1823.325218	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+Na"	22.989218
"758518"	2723.493218	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+Na"	22.989218
"1605525"	923.157218	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Na"	22.989218
"319936"	912.166247	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+H+Na"	23.996494
"721115"	1362.250247	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+H+Na"	23.996494
"1472748"	462.082247	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H+Na"	23.996494
"1059435"	308.39059	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2H+Na"	25.00377
"1266580"	933.201486	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+CH3OH+H"	33.033486
"385154"	1839.299158	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+K"	38.963158
"746149"	2739.467158	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+K"	38.963158
"1542369"	939.131158	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+K"	38.963158
"299660"	920.153217	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+H+K"	39.970434
"696711"	1370.237217	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+H+K"	39.970434
"1461115"	470.069217	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H+K"	39.970434
"251338"	1842.369826	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+ACN+H"	42.033826
"1224368"	942.201826	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+ACN+H"	42.033826
"1209102"	471.604551	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+ACN+2H"	43.041102
"204149"	1845.30716	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+2Na-H"	44.97116
"643926"	2745.47516	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+2Na-H"	44.97116
"1146626"	945.13916	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2Na-H"	44.97116
"187971"	923.157218	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+2Na"	45.978436
"625217"	1373.241218	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+2Na"	45.978436
"1126777"	473.073218	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2Na"	45.978436
"1412003"	315.717904	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H+2Na"	46.985712
"1444975"	947.180746	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H+HCOOH"	47.012746
"231382"	928.19024	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+3H2O+2H"	56.04448
"1522970"	961.23279	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+IsoProp+H"	61.06479
"423992"	931.144188	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+Na+K"	61.952376
"782310"	1381.228188	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+Na+K"	61.952376
"1678279"	481.060188	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Na+K"	61.952376
"260423"	1864.351768	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+ACN+Na"	64.015768
"1234229"	964.183768	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+ACN+Na"	64.015768
"1719832"	964.207293	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+NH4+HCOOH"	64.039293
"1189564"	323.045218	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+3Na"	68.967654
"1661644"	969.162688	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Na+HCOOH"	68.994688
"169599"	1877.25504	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+2K-H"	76.91904
"604784"	2777.42304	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+2K-H"	76.91904
"1095860"	977.08704	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2K-H"	76.91904
"143928"	939.131158	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"2M+2K"	77.926316
"593330"	1389.215158	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"3M+2K"	77.926316
"1077843"	489.047158	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2K"	77.926316
"1106679"	979.101592	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2K+H"	78.933592
"1344157"	979.189207	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+DMSO+H"	79.021207
"1013780"	983.228376	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2ACN+H"	83.060376
"1525707"	984.222008	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+IsoProp+Na+H"	84.054008
"995072"	492.117826	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+2ACN+2H"	84.067652
"1587753"	985.136628	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+K+HCOOH"	84.968628
"1419611"	1015.168138	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+H+CF3COOH"	115.000138
"1153179"	512.631101	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+3ACN+2H"	125.094202
"1700545"	1032.194685	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+NH4+CF3COOH"	132.026685
"1648954"	1037.15008	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+Na+CF3COOH"	136.98208
"1586061"	1053.12402	"C12092"	"N-Methylanthraniloyl-CoA"	"C29H43N8O17P3S"	"900.168"	"M+K+CF3COOH"	152.95602
"809870"	241.0739	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M"	0
"983405"	222.05551	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-H2O-H"	-19.01839
"69462"	159.708657333333	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M-3H"	-3.021828
"509024"	240.066624	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M-3H"	-3.021828
"890109"	79.3506906666667	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-3H"	-3.021828
"8683"	240.066624	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M-2H"	-2.014552
"451527"	360.603574	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M-2H"	-2.014552
"822765"	119.529674	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-2H"	-2.014552
"86038"	481.140524	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M-H"	-1.007276
"524504"	722.214424	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M-H"	-1.007276
"897932"	240.066624	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-H"	-1.007276
"50119"	498.167071	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M-2H+NH4"	16.019271
"492961"	739.240971	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M-2H+NH4"	16.019271
"875503"	257.093171	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-2H+NH4"	16.019271
"44863"	503.122466	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M-2H+Na"	20.974666
"482599"	744.196366	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M-2H+Na"	20.974666
"851653"	262.048566	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-2H+Na"	20.974666
"1622283"	262.048566	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Na-2H"	20.974666
"103187"	258.054963	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M-H+Cl"	33.962126
"541657"	378.591913	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M-H+Cl"	33.962126
"932988"	137.518013	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-H+Cl"	33.962126
"267772"	517.117202	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+Cl"	34.969402
"660924"	758.191102	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+Cl"	34.969402
"1273035"	276.043302	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Cl"	34.969402
"16845"	519.096406	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M-2H+K"	36.948606
"456365"	760.170306	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M-2H+K"	36.948606
"833724"	278.022506	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-2H+K"	36.948606
"1556003"	278.022506	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+K-2H"	36.948606
"944126"	286.072094	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-H+HCOOH"	44.998194
"366970"	527.146001	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+HCOOH-H"	44.998201
"347569"	541.161651	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+Hac-H"	59.013851
"1498594"	300.087751	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Hac-H"	59.013851
"962125"	308.054051	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-H+NaCOOH"	66.980151
"115043"	276.043302	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+2Cl"	69.938804
"552778"	396.580252	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+2Cl"	69.938804
"1023766"	155.506352	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2Cl"	69.938804
"1244802"	319.992785	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Br"	78.918885
"1305426"	322.048772	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Cl+HCOOH"	80.974872
"1322925"	344.030729	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Cl+NaCOOH"	102.956829
"911432"	354.059486	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M-H+CF3COOH"	112.985586
"1289599"	390.036164	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Cl+CF3COOH"	148.962264
"1371044"	206.061224	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H-2H2O"	-35.012676
"1390728"	224.0712	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H-H2O"	-17.0027
"294790"	483.155076	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+H"	1.007276
"681743"	724.228976	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+H"	1.007276
"1354083"	242.081176	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H"	1.007276
"126973"	242.081176	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+2H"	2.014552
"567625"	362.618126	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+2H"	2.014552
"1042621"	121.544226	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2H"	2.014552
"209430"	161.723209333333	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+3H"	3.021828
"646804"	242.081176	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+3H"	3.021828
"1169303"	81.3652426666667	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+3H"	3.021828
"428202"	500.181623	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+NH4"	18.033823
"788102"	741.255523	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+NH4"	18.033823
"1686616"	259.107723	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+NH4"	18.033823
"333799"	250.5944495	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+H+NH4"	19.041099
"724767"	371.1313995	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+H+NH4"	19.041099
"1482229"	130.0574995	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H+NH4"	19.041099
"397629"	505.137018	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+Na"	22.989218
"756442"	746.210918	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+Na"	22.989218
"1605999"	264.063118	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Na"	22.989218
"320047"	253.072147	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+H+Na"	23.996494
"720132"	373.609097	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+H+Na"	23.996494
"1472858"	132.535197	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H+Na"	23.996494
"1065014"	88.6925566666667	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2H+Na"	25.00377
"1265597"	274.107386	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+CH3OH+H"	33.033486
"384173"	521.110958	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+K"	38.963158
"745167"	762.184858	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+K"	38.963158
"1547220"	280.037058	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+K"	38.963158
"299292"	261.059117	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+H+K"	39.970434
"696824"	381.596067	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+H+K"	39.970434
"1460370"	140.522167	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H+K"	39.970434
"249460"	524.181626	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+ACN+H"	42.033826
"1224476"	283.107726	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+ACN+H"	42.033826
"1209336"	142.057501	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+ACN+2H"	43.041102
"203306"	527.11896	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+2Na-H"	44.97116
"643231"	768.19286	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+2Na-H"	44.97116
"1146250"	286.04506	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2Na-H"	44.97116
"188325"	264.063118	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+2Na"	45.978436
"627396"	384.600068	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+2Na"	45.978436
"1130296"	143.526168	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2Na"	45.978436
"1412355"	96.0198706666667	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H+2Na"	46.985712
"1444723"	288.086646	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H+HCOOH"	47.012746
"233679"	269.09614	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+3H2O+2H"	56.04448
"1522715"	302.13869	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+IsoProp+H"	61.06479
"423495"	272.050088	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+Na+K"	61.952376
"781327"	392.587038	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+Na+K"	61.952376
"1678025"	151.513138	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Na+K"	61.952376
"260533"	546.163568	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+ACN+Na"	64.015768
"1234337"	305.089668	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+ACN+Na"	64.015768
"1715569"	305.113193	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+NH4+HCOOH"	64.039293
"1189674"	103.347184666667	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+3Na"	68.967654
"1663579"	310.068588	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Na+HCOOH"	68.994688
"170440"	559.06684	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+2K-H"	76.91904
"607082"	800.14074	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+2K-H"	76.91904
"1095970"	317.99294	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2K-H"	76.91904
"150599"	280.037058	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"2M+2K"	77.926316
"593440"	400.574008	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"3M+2K"	77.926316
"1074673"	159.500108	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2K"	77.926316
"1106789"	320.007492	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2K+H"	78.933592
"1343174"	320.095107	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+DMSO+H"	79.021207
"1013890"	324.134276	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2ACN+H"	83.060376
"1527640"	325.127908	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+IsoProp+Na+H"	84.054008
"994089"	162.570776	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+2ACN+2H"	84.067652
"1587133"	326.042528	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+K+HCOOH"	84.968628
"1419721"	356.074038	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+H+CF3COOH"	115.000138
"1153289"	183.084051	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+3ACN+2H"	125.094202
"1703935"	373.100585	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+NH4+CF3COOH"	132.026685
"1647242"	378.05598	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+Na+CF3COOH"	136.98208
"1586171"	394.02992	"C12093"	"13-Dihydroxy-N-methylacridone"	"C14H11NO3"	"241.0739"	"M+K+CF3COOH"	152.95602
"813260"	595.1452	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M"	0
"984609"	576.12681	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-H2O-H"	-19.01839
"68479"	395.756190666667	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M-3H"	-3.021828
"506947"	594.137924	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M-3H"	-3.021828
"891312"	197.374457333333	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-3H"	-3.021828
"8792"	594.137924	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M-2H"	-2.014552
"448355"	891.710524	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M-2H"	-2.014552
"819595"	296.565324	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-2H"	-2.014552
"86148"	1189.283124	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M-H"	-1.007276
"524614"	1784.428324	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M-H"	-1.007276
"901322"	594.137924	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-H"	-1.007276
"51322"	1206.309671	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M-2H+NH4"	16.019271
"493071"	1801.454871	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M-2H+NH4"	16.019271
"875248"	611.164471	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-2H+NH4"	16.019271
"42054"	1211.265066	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M-2H+Na"	20.974666
"484896"	1806.410266	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M-2H+Na"	20.974666
"855043"	616.119866	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-2H+Na"	20.974666
"1625673"	616.119866	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Na-2H"	20.974666
"105484"	612.126263	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M-H+Cl"	33.962126
"541767"	909.698863	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M-H+Cl"	33.962126
"933098"	314.553663	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-H+Cl"	33.962126
"267761"	1225.259802	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+Cl"	34.969402
"661521"	1820.405002	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+Cl"	34.969402
"1274289"	630.114602	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Cl"	34.969402
"16956"	1227.239006	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M-2H+K"	36.948606
"456272"	1822.384206	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M-2H+K"	36.948606
"833956"	632.093806	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-2H+K"	36.948606
"1556720"	632.093806	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+K-2H"	36.948606
"943513"	640.143394	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-H+HCOOH"	44.998194
"367080"	1235.288601	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+HCOOH-H"	44.998201
"347311"	1249.304251	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+Hac-H"	59.013851
"1497611"	654.159051	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Hac-H"	59.013851
"962965"	662.125351	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-H+NaCOOH"	66.980151
"114061"	630.114602	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+2Cl"	69.938804
"554713"	927.687202	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+2Cl"	69.938804
"1023876"	332.542002	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2Cl"	69.938804
"1243820"	674.064085	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Br"	78.918885
"1306632"	676.120072	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Cl+HCOOH"	80.974872
"1326318"	698.102029	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Cl+NaCOOH"	102.956829
"913366"	708.130786	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M-H+CF3COOH"	112.985586
"1291167"	744.107464	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Cl+CF3COOH"	148.962264
"1371155"	560.132524	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H-2H2O"	-35.012676
"1387559"	578.1425	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H-H2O"	-17.0027
"293807"	1191.297676	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+H"	1.007276
"684041"	1786.442876	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+H"	1.007276
"1352368"	596.152476	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H"	1.007276
"133279"	596.152476	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+2H"	2.014552
"567006"	893.725076	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+2H"	2.014552
"1041638"	298.579876	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2H"	2.014552
"204476"	397.770742666667	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+3H"	3.021828
"651287"	596.152476	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+3H"	3.021828
"1169413"	199.389009333333	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+3H"	3.021828
"427218"	1208.324223	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+NH4"	18.033823
"790398"	1803.469423	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+NH4"	18.033823
"1684903"	613.179023	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+NH4"	18.033823
"337189"	604.6657495	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+H+NH4"	19.041099
"725242"	902.2383495	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+H+NH4"	19.041099
"1481974"	307.0931495	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H+NH4"	19.041099
"396646"	1213.279618	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+Na"	22.989218
"756552"	1808.424818	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+Na"	22.989218
"1605745"	618.134418	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Na"	22.989218
"319064"	607.143447	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+H+Na"	23.996494
"718055"	904.716047	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+H+Na"	23.996494
"1469688"	309.570847	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H+Na"	23.996494
"1062937"	206.716323333333	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2H+Na"	25.00377
"1266802"	628.178686	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+CH3OH+H"	33.033486
"383190"	1229.253558	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+K"	38.963158
"747465"	1824.398758	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+K"	38.963158
"1549516"	634.108358	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+K"	38.963158
"300130"	615.130417	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+H+K"	39.970434
"698027"	912.703017	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+H+K"	39.970434
"1459504"	317.557817	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H+K"	39.970434
"249206"	1232.324226	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+ACN+H"	42.033826
"1223857"	637.179026	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+ACN+H"	42.033826
"1208836"	319.093151	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+ACN+2H"	43.041102
"203044"	1235.26156	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+2Na-H"	44.97116
"643462"	1830.40676	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+2Na-H"	44.97116
"1146237"	640.11636	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2Na-H"	44.97116
"187462"	618.134418	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+2Na"	45.978436
"623126"	915.707018	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+2Na"	45.978436
"1129548"	320.561818	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2Na"	45.978436
"1413443"	214.043637333333	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H+2Na"	46.985712
"1441542"	642.157946	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H+HCOOH"	47.012746
"233424"	623.16744	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+3H2O+2H"	56.04448
"1521849"	656.20999	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+IsoProp+H"	61.06479
"422265"	626.121388	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+Na+K"	61.952376
"778885"	923.693988	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+Na+K"	61.952376
"1675220"	328.548788	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Na+K"	61.952376
"260643"	1254.306168	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+ACN+Na"	64.015768
"1230074"	659.160968	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+ACN+Na"	64.015768
"1714586"	659.184493	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+NH4+HCOOH"	64.039293
"1181036"	221.370951333333	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+3Na"	68.967654
"1661864"	664.139888	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Na+HCOOH"	68.994688
"170913"	1267.20944	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+2K-H"	76.91904
"607192"	1862.35464	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+2K-H"	76.91904
"1096079"	672.06424	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2K-H"	76.91904
"152896"	634.108358	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"2M+2K"	77.926316
"593550"	931.680958	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"3M+2K"	77.926316
"1074782"	336.535758	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2K"	77.926316
"1106899"	674.078792	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2K+H"	78.933592
"1343283"	674.166407	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+DMSO+H"	79.021207
"1014000"	678.205576	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2ACN+H"	83.060376
"1528844"	679.199208	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+IsoProp+Na+H"	84.054008
"997479"	339.606426	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+2ACN+2H"	84.067652
"1588703"	680.113828	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+K+HCOOH"	84.968628
"1419831"	710.145338	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+H+CF3COOH"	115.000138
"1156679"	360.119701	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+3ACN+2H"	125.094202
"1707325"	727.171885	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+NH4+CF3COOH"	132.026685
"1648445"	732.12728	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+Na+CF3COOH"	136.98208
"1586281"	748.10122	"C12095"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside"	"C30H27O13"	"595.1452"	"M+K+CF3COOH"	152.95602
"812277"	757.198	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M"	0
"988000"	738.17961	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-H2O-H"	-19.01839
"69682"	503.791390666667	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M-3H"	-3.021828
"507057"	756.190724	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M-3H"	-3.021828
"888143"	251.392057333333	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-3H"	-3.021828
"5623"	756.190724	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M-2H"	-2.014552
"448465"	1134.789724	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M-2H"	-2.014552
"824078"	377.591724	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-2H"	-2.014552
"85165"	1513.388724	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M-H"	-1.007276
"524724"	2270.586724	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M-H"	-1.007276
"902525"	756.190724	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-H"	-1.007276
"52524"	1530.415271	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M-2H+NH4"	16.019271
"494274"	2287.613271	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M-2H+NH4"	16.019271
"877544"	773.217271	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-2H+NH4"	16.019271
"42164"	1535.370666	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M-2H+Na"	20.974666
"483912"	2292.568666	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M-2H+Na"	20.974666
"850779"	778.172666	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-2H+Na"	20.974666
"1623595"	778.172666	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Na-2H"	20.974666
"101217"	774.179063	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M-H+Cl"	33.962126
"539691"	1152.778063	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M-H+Cl"	33.962126
"933208"	395.580063	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-H+Cl"	33.962126
"269330"	1549.365402	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+Cl"	34.969402
"661752"	2306.563402	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+Cl"	34.969402
"1272808"	792.167402	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Cl"	34.969402
"17316"	1551.344606	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M-2H+K"	36.948606
"456269"	2308.542606	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M-2H+K"	36.948606
"835043"	794.146606	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-2H+K"	36.948606
"1556464"	794.146606	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+K-2H"	36.948606
"944957"	802.196194	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-H+HCOOH"	44.998194
"362197"	1559.394201	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+HCOOH-H"	44.998201
"346331"	1573.409851	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+Hac-H"	59.013851
"1494066"	816.211851	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Hac-H"	59.013851
"963438"	824.178151	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-H+NaCOOH"	66.980151
"114171"	792.167402	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+2Cl"	69.938804
"555186"	1170.766402	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+2Cl"	69.938804
"1023986"	413.568402	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2Cl"	69.938804
"1244294"	836.116885	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Br"	78.918885
"1306742"	838.172872	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Cl+HCOOH"	80.974872
"1325335"	860.154829	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Cl+NaCOOH"	102.956829
"913476"	870.183586	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M-H+CF3COOH"	112.985586
"1291277"	906.160264	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Cl+CF3COOH"	148.962264
"1373452"	722.185324	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H-2H2O"	-35.012676
"1388761"	740.1953	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H-H2O"	-17.0027
"286260"	1515.403276	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+H"	1.007276
"681963"	2272.601276	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+H"	1.007276
"1360501"	758.205276	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H"	1.007276
"132296"	758.205276	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+2H"	2.014552
"570761"	1136.804276	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+2H"	2.014552
"1040654"	379.606276	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2H"	2.014552
"208556"	505.805942666667	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+3H"	3.021828
"648117"	758.205276	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+3H"	3.021828
"1171709"	253.406609333333	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+3H"	3.021828
"430608"	1532.429823	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+NH4"	18.033823
"793787"	2289.627823	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+NH4"	18.033823
"1684650"	775.231823	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+NH4"	18.033823
"337300"	766.7185495	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+H+NH4"	19.041099
"725715"	1145.3175495	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+H+NH4"	19.041099
"1477266"	388.1195495	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H+NH4"	19.041099
"395662"	1537.385218	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+Na"	22.989218
"755200"	2294.583218	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+Na"	22.989218
"1605000"	780.187218	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Na"	22.989218
"319173"	769.196247	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+H+Na"	23.996494
"717072"	1147.795247	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+H+Na"	23.996494
"1469796"	390.597247	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H+Na"	23.996494
"1063047"	260.733923333333	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2H+Na"	25.00377
"1268005"	790.231486	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+CH3OH+H"	33.033486
"382207"	1553.359158	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+K"	38.963158
"747575"	2310.557158	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+K"	38.963158
"1549626"	796.161158	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+K"	38.963158
"299512"	777.183217	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+H+K"	39.970434
"697044"	1155.782217	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+H+K"	39.970434
"1448676"	398.584217	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H+K"	39.970434
"250410"	1556.429826	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+ACN+H"	42.033826
"1222751"	799.231826	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+ACN+H"	42.033826
"1209187"	400.119551	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+ACN+2H"	43.041102
"203396"	1559.36716	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+2Na-H"	44.97116
"641983"	2316.56516	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+2Na-H"	44.97116
"1144031"	802.16916	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2Na-H"	44.97116
"187687"	780.187218	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+2Na"	45.978436
"624330"	1158.786218	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+2Na"	45.978436
"1128564"	401.588218	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2Na"	45.978436
"1410628"	268.061237333333	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H+2Na"	46.985712
"1442743"	804.210746	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H+HCOOH"	47.012746
"232440"	785.22024	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+3H2O+2H"	56.04448
"1521594"	818.26279	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+IsoProp+H"	61.06479
"416906"	788.174188	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+Na+K"	61.952376
"773526"	1166.773188	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+Na+K"	61.952376
"1675330"	409.575188	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Na+K"	61.952376
"258566"	1578.411768	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+ACN+Na"	64.015768
"1227025"	821.213768	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+ACN+Na"	64.015768
"1716883"	821.237293	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+NH4+HCOOH"	64.039293
"1181145"	275.388551333333	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+3Na"	68.967654
"1651156"	826.192688	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Na+HCOOH"	68.994688
"163367"	1591.31504	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+2K-H"	76.91904
"607302"	2348.51304	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+2K-H"	76.91904
"1091814"	834.11704	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2K-H"	76.91904
"149725"	796.161158	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"2M+2K"	77.926316
"590385"	1174.760158	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"3M+2K"	77.926316
"1080362"	417.562158	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2K"	77.926316
"1109196"	836.131592	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2K+H"	78.933592
"1345581"	836.219207	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+DMSO+H"	79.021207
"1014114"	840.258376	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2ACN+H"	83.060376
"1537705"	841.252008	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+IsoProp+Na+H"	84.054008
"1000870"	420.632826	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+2ACN+2H"	84.067652
"1589907"	842.166628	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+K+HCOOH"	84.968628
"1419941"	872.198138	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+H+CF3COOH"	115.000138
"1156789"	441.146101	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+3ACN+2H"	125.094202
"1707435"	889.224685	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+NH4+CF3COOH"	132.026685
"1648555"	894.18008	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+Na+CF3COOH"	136.98208
"1586391"	910.15402	"C12096"	"Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;Shisonin"	"C36H37O18"	"757.198"	"M+K+CF3COOH"	152.95602
"813480"	636.3411	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M"	0
"987016"	617.32271	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-H2O-H"	-19.01839
"69792"	423.220124	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M-3H"	-3.021828
"508260"	635.333824	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M-3H"	-3.021828
"884972"	211.106424	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-3H"	-3.021828
"4639"	635.333824	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M-2H"	-2.014552
"447480"	953.504374	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M-2H"	-2.014552
"824187"	317.163274	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-2H"	-2.014552
"87461"	1271.674924	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M-H"	-1.007276
"523741"	1908.016024	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M-H"	-1.007276
"902635"	635.333824	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-H"	-1.007276
"50812"	1288.701471	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M-2H+NH4"	16.019271
"494384"	1925.042571	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M-2H+NH4"	16.019271
"875467"	652.360371	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-2H+NH4"	16.019271
"43367"	1293.656866	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M-2H+Na"	20.974666
"483294"	1929.997966	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M-2H+Na"	20.974666
"850889"	657.315766	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-2H+Na"	20.974666
"1622612"	657.315766	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Na-2H"	20.974666
"99141"	653.322163	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M-H+Cl"	33.962126
"538707"	971.492713	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M-H+Cl"	33.962126
"933317"	335.151613	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-H+Cl"	33.962126
"269317"	1307.651602	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+Cl"	34.969402
"662105"	1943.992702	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+Cl"	34.969402
"1272756"	671.310502	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Cl"	34.969402
"16088"	1309.630806	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M-2H+K"	36.948606
"457717"	1945.971906	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M-2H+K"	36.948606
"833452"	673.289706	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-2H+K"	36.948606
"1557184"	673.289706	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+K-2H"	36.948606
"942920"	681.339294	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-H+HCOOH"	44.998194
"361825"	1317.680401	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+HCOOH-H"	44.998201
"346806"	1331.696051	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+Hac-H"	59.013851
"1493164"	695.354951	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Hac-H"	59.013851
"964277"	703.321251	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-H+NaCOOH"	66.980151
"118654"	671.310502	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+2Cl"	69.938804
"557119"	989.481052	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+2Cl"	69.938804
"1028108"	353.139952	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2Cl"	69.938804
"1245500"	715.259985	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Br"	78.918885
"1306851"	717.315972	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Cl+HCOOH"	80.974872
"1323257"	739.297929	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Cl+NaCOOH"	102.956829
"914680"	749.326686	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M-H+CF3COOH"	112.985586
"1289200"	785.303364	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Cl+CF3COOH"	148.962264
"1368454"	601.328424	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H-2H2O"	-35.012676
"1385954"	619.3384	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H-H2O"	-17.0027
"284546"	1273.689476	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+H"	1.007276
"680978"	1910.030576	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+H"	1.007276
"1360609"	637.348376	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H"	1.007276
"130217"	637.348376	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+2H"	2.014552
"569778"	955.518926	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+2H"	2.014552
"1039670"	319.177826	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2H"	2.014552
"208665"	425.234676	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+3H"	3.021828
"648226"	637.348376	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+3H"	3.021828
"1168537"	213.120976	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+3H"	3.021828
"431810"	1290.716023	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+NH4"	18.033823
"791709"	1927.057123	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+NH4"	18.033823
"1684760"	654.374923	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+NH4"	18.033823
"334131"	645.8616495	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+H+NH4"	19.041099
"724368"	964.0321995	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+H+NH4"	19.041099
"1478551"	327.6910995	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H+NH4"	19.041099
"397958"	1295.671418	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+Na"	22.989218
"756770"	1932.012518	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+Na"	22.989218
"1603326"	659.330318	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Na"	22.989218
"315996"	648.339347	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+H+Na"	23.996494
"719367"	966.509897	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+H+Na"	23.996494
"1469906"	330.168797	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H+Na"	23.996494
"1062063"	220.44829	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2H+Na"	25.00377
"1264831"	669.374586	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+CH3OH+H"	33.033486
"386689"	1311.645358	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+K"	38.963158
"747683"	1947.986458	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+K"	38.963158
"1543175"	675.304258	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+K"	38.963158
"301808"	656.326317	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+H+K"	39.970434
"699340"	974.496867	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+H+K"	39.970434
"1450972"	338.155767	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H+K"	39.970434
"251332"	1314.716026	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+ACN+H"	42.033826
"1224320"	678.374926	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+ACN+H"	42.033826
"1209844"	339.691101	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+ACN+2H"	43.041102
"204232"	1317.65336	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+2Na-H"	44.97116
"644059"	1953.99446	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+2Na-H"	44.97116
"1144870"	681.31226	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2Na-H"	44.97116
"188382"	659.330318	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+2Na"	45.978436
"628087"	977.500868	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+2Na"	45.978436
"1129037"	341.159768	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2Na"	45.978436
"1412926"	227.775604	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H+2Na"	46.985712
"1442489"	683.353846	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H+HCOOH"	47.012746
"230362"	664.36334	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+3H2O+2H"	56.04448
"1521340"	697.40589	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+IsoProp+H"	61.06479
"414829"	667.317288	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+Na+K"	61.952376
"774000"	985.487838	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+Na+K"	61.952376
"1675439"	349.146738	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Na+K"	61.952376
"258676"	1336.697968	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+ACN+Na"	64.015768
"1228107"	700.356868	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+ACN+Na"	64.015768
"1716993"	700.380393	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+NH4+HCOOH"	64.039293
"1182348"	235.102918	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+3Na"	68.967654
"1651265"	705.335788	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Na+HCOOH"	68.994688
"164570"	1349.60124	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+2K-H"	76.91904
"601944"	1985.94234	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+2K-H"	76.91904
"1090828"	713.26014	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2K-H"	76.91904
"146553"	675.304258	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"2M+2K"	77.926316
"592679"	993.474808	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"3M+2K"	77.926316
"1075003"	357.133708	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2K"	77.926316
"1109305"	715.274692	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2K+H"	78.933592
"1341315"	715.362307	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+DMSO+H"	79.021207
"1012030"	719.401476	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2ACN+H"	83.060376
"1529065"	720.395108	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+IsoProp+Na+H"	84.054008
"994416"	360.204376	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+2ACN+2H"	84.067652
"1591110"	721.309728	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+K+HCOOH"	84.968628
"1420050"	751.341238	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+H+CF3COOH"	115.000138
"1156899"	380.717651	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+3ACN+2H"	125.094202
"1706452"	768.367785	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+NH4+CF3COOH"	132.026685
"1648665"	773.32318	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+Na+CF3COOH"	136.98208
"1586501"	789.29712	"C12098"	"Ansatrienin A"	"C36H48N2O8"	"636.3411"	"M+K+CF3COOH"	152.95602
"815777"	546.2366	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M"	0
"987127"	527.21821	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-H2O-H"	-19.01839
"69902"	363.150457333333	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M-3H"	-3.021828
"508370"	545.229324	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M-3H"	-3.021828
"881801"	181.071590666667	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-3H"	-3.021828
"2562"	545.229324	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M-2H"	-2.014552
"446497"	818.347624	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M-2H"	-2.014552
"821017"	272.111024	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-2H"	-2.014552
"83193"	1091.465924	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M-H"	-1.007276
"523851"	1637.702524	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M-H"	-1.007276
"899465"	545.229324	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-H"	-1.007276
"49464"	1108.492471	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M-2H+NH4"	16.019271
"492307"	1654.729071	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M-2H+NH4"	16.019271
"872297"	562.255871	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-2H+NH4"	16.019271
"40197"	1113.447866	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M-2H+Na"	20.974666
"474289"	1659.684466	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M-2H+Na"	20.974666
"849092"	567.211266	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-2H+Na"	20.974666
"1619437"	567.211266	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Na-2H"	20.974666
"95240"	563.217663	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M-H+Cl"	33.962126
"536631"	836.335963	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M-H+Cl"	33.962126
"936708"	290.099363	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-H+Cl"	33.962126
"269065"	1127.442602	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+Cl"	34.969402
"661362"	1673.679202	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+Cl"	34.969402
"1273195"	581.206002	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Cl"	34.969402
"15823"	1129.421806	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M-2H+K"	36.948606
"455704"	1675.658406	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M-2H+K"	36.948606
"833439"	583.185206	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-2H+K"	36.948606
"1555702"	583.185206	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+K-2H"	36.948606
"942846"	591.234794	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-H+HCOOH"	44.998194
"361442"	1137.471401	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+HCOOH-H"	44.998201
"347281"	1151.487051	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+Hac-H"	59.013851
"1493559"	605.250451	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Hac-H"	59.013851
"964387"	613.216751	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-H+NaCOOH"	66.980151
"117671"	581.206002	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+2Cl"	69.938804
"557229"	854.324302	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+2Cl"	69.938804
"1023114"	308.087702	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2Cl"	69.938804
"1245610"	625.155485	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Br"	78.918885
"1306597"	627.211472	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Cl+HCOOH"	80.974872
"1322271"	649.193429	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Cl+NaCOOH"	102.956829
"913695"	659.222186	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M-H+CF3COOH"	112.985586
"1289673"	695.198864	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Cl+CF3COOH"	148.962264
"1367950"	511.223924	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H-2H2O"	-35.012676
"1383184"	529.2339	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H-H2O"	-17.0027
"285745"	1093.480476	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+H"	1.007276
"679995"	1639.717076	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+H"	1.007276
"1356345"	547.243876	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H"	1.007276
"127044"	547.243876	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+2H"	2.014552
"566603"	820.362176	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+2H"	2.014552
"1040142"	274.125576	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2H"	2.014552
"206588"	365.165009333333	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+3H"	3.021828
"652709"	547.243876	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+3H"	3.021828
"1170834"	183.086142666667	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+3H"	3.021828
"434106"	1110.507023	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+NH4"	18.033823
"790726"	1656.743623	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+NH4"	18.033823
"1683777"	564.270423	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+NH4"	18.033823
"330961"	555.7571495	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+H+NH4"	19.041099
"723628"	828.8754495	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+H+NH4"	19.041099
"1478539"	282.6388495	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H+NH4"	19.041099
"395881"	1115.462418	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+Na"	22.989218
"754932"	1661.699018	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+Na"	22.989218
"1604367"	569.225818	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Na"	22.989218
"318293"	558.234847	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+H+Na"	23.996494
"707802"	831.353147	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+H+Na"	23.996494
"1466734"	285.116547	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H+Na"	23.996494
"1063264"	190.413456666667	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2H+Na"	25.00377
"1264941"	579.270086	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+CH3OH+H"	33.033486
"383518"	1131.436358	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+K"	38.963158
"742326"	1677.672958	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+K"	38.963158
"1542190"	585.199758	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+K"	38.963158
"299368"	566.221817	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+H+K"	39.970434
"693980"	839.340117	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+H+K"	39.970434
"1448894"	293.103517	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H+K"	39.970434
"247344"	1134.507026	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+ACN+H"	42.033826
"1218957"	588.270426	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+ACN+H"	42.033826
"1199558"	294.638851	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+ACN+2H"	43.041102
"197898"	1137.44436	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+2Na-H"	44.97116
"638552"	1683.68096	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+2Na-H"	44.97116
"1142060"	591.20776	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2Na-H"	44.97116
"184988"	569.225818	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+2Na"	45.978436
"626006"	842.344118	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+2Na"	45.978436
"1129147"	296.107518	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2Na"	45.978436
"1407567"	197.740770666667	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H+2Na"	46.985712
"1437496"	593.249346	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H+HCOOH"	47.012746
"228285"	574.25884	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+3H2O+2H"	56.04448
"1517439"	607.30139	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+IsoProp+H"	61.06479
"412022"	577.212788	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+Na+K"	61.952376
"773017"	850.331088	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+Na+K"	61.952376
"1672269"	304.094488	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Na+K"	61.952376
"256599"	1156.488968	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+ACN+Na"	64.015768
"1228218"	610.252368	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+ACN+Na"	64.015768
"1717102"	610.275893	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+NH4+HCOOH"	64.039293
"1182458"	205.068084666667	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+3Na"	68.967654
"1649957"	615.231288	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Na+HCOOH"	68.994688
"162493"	1169.39224	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+2K-H"	76.91904
"604242"	1715.62884	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+2K-H"	76.91904
"1088753"	623.15564	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2K-H"	76.91904
"147756"	585.199758	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"2M+2K"	77.926316
"591695"	858.318058	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"3M+2K"	77.926316
"1075113"	312.081458	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2K"	77.926316
"1109415"	625.170192	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2K+H"	78.933592
"1340332"	625.257807	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+DMSO+H"	79.021207
"1009954"	629.296976	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2ACN+H"	83.060376
"1528081"	630.290608	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+IsoProp+Na+H"	84.054008
"991247"	315.152126	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+2ACN+2H"	84.067652
"1592313"	631.205228	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+K+HCOOH"	84.968628
"1417972"	661.236738	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+H+CF3COOH"	115.000138
"1151542"	335.665401	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+3ACN+2H"	125.094202
"1707655"	678.263285	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+NH4+CF3COOH"	132.026685
"1649385"	683.21868	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+Na+CF3COOH"	136.98208
"1586611"	699.19262	"C12099"	"Asukamycin"	"C31H34N2O7"	"546.2366"	"M+K+CF3COOH"	152.95602
"815887"	268.2402	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M"	0
"988330"	249.22181	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-H2O-H"	-19.01839
"70012"	177.819524	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M-3H"	-3.021828
"508480"	267.232924	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M-3H"	-3.021828
"885188"	88.406124	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-3H"	-3.021828
"4857"	267.232924	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M-2H"	-2.014552
"446607"	401.353024	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M-2H"	-2.014552
"823313"	133.112824	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-2H"	-2.014552
"84396"	535.473124	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M-H"	-1.007276
"525053"	803.713324	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M-H"	-1.007276
"905041"	267.232924	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-H"	-1.007276
"51760"	552.499671	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M-2H+NH4"	16.019271
"492417"	820.739871	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M-2H+NH4"	16.019271
"874595"	284.259471	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-2H+NH4"	16.019271
"40307"	557.455066	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M-2H+Na"	20.974666
"472454"	825.695266	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M-2H+Na"	20.974666
"850013"	289.214866	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-2H+Na"	20.974666
"1618933"	289.214866	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Na-2H"	20.974666
"96075"	285.221263	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M-H+Cl"	33.962126
"541475"	419.341363	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M-H+Cl"	33.962126
"936818"	151.101163	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-H+Cl"	33.962126
"272090"	571.449802	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+Cl"	34.969402
"663418"	839.690002	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+Cl"	34.969402
"1273432"	303.209602	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Cl"	34.969402
"16309"	573.429006	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M-2H+K"	36.948606
"455767"	841.669206	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M-2H+K"	36.948606
"834645"	305.188806	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-2H+K"	36.948606
"1556351"	305.188806	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+K-2H"	36.948606
"944558"	313.238394	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-H+HCOOH"	44.998194
"361721"	581.478601	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+HCOOH-H"	44.998201
"347389"	595.494251	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+Hac-H"	59.013851
"1496585"	327.254051	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Hac-H"	59.013851
"961945"	335.220351	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-H+NaCOOH"	66.980151
"114500"	303.209602	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+2Cl"	69.938804
"555153"	437.329702	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+2Cl"	69.938804
"1022492"	169.089502	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2Cl"	69.938804
"1244989"	347.159085	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Br"	78.918885
"1306706"	349.215072	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Cl+HCOOH"	80.974872
"1321287"	371.197029	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Cl+NaCOOH"	102.956829
"914168"	381.225786	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M-H+CF3COOH"	112.985586
"1289783"	417.202464	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Cl+CF3COOH"	148.962264
"1367818"	233.227524	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H-2H2O"	-35.012676
"1384348"	251.2375	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H-H2O"	-17.0027
"283908"	537.487676	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+H"	1.007276
"680105"	805.727876	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+H"	1.007276
"1355362"	269.247476	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H"	1.007276
"126545"	269.247476	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+2H"	2.014552
"567443"	403.367576	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+2H"	2.014552
"1039889"	135.127376	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2H"	2.014552
"209978"	179.834076	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+3H"	3.021828
"652818"	269.247476	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+3H"	3.021828
"1173130"	90.420676	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+3H"	3.021828
"430936"	554.514223	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+NH4"	18.033823
"788649"	822.754423	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+NH4"	18.033823
"1682914"	286.274023	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+NH4"	18.033823
"332162"	277.7607495	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+H+NH4"	19.041099
"724224"	411.8808495	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+H+NH4"	19.041099
"1478406"	143.6406495	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H+NH4"	19.041099
"393925"	559.469618	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+Na"	22.989218
"755895"	827.709818	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+Na"	22.989218
"1606178"	291.229418	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Na"	22.989218
"316216"	280.238447	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+H+Na"	23.996494
"708519"	414.358547	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+H+Na"	23.996494
"1466110"	146.118347	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H+Na"	23.996494
"1058991"	97.74799	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2H+Na"	25.00377
"1263956"	301.273686	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+CH3OH+H"	33.033486
"380346"	575.443558	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+K"	38.963158
"740248"	843.683758	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+K"	38.963158
"1542663"	307.203358	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+K"	38.963158
"299599"	288.225417	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+H+K"	39.970434
"694090"	422.345517	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+H+K"	39.970434
"1449004"	154.105317	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H+K"	39.970434
"247818"	578.514226	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+ACN+H"	42.033826
"1219067"	310.274026	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+ACN+H"	42.033826
"1198575"	155.640651	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+ACN+2H"	43.041102
"198737"	581.45156	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+2Na-H"	44.97116
"638662"	849.69176	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+2Na-H"	44.97116
"1142170"	313.21136	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2Na-H"	44.97116
"186433"	291.229418	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+2Na"	45.978436
"626723"	425.349518	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+2Na"	45.978436
"1127434"	157.109318	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2Na"	45.978436
"1405490"	105.075304	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H+2Na"	46.985712
"1436513"	315.252946	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H+HCOOH"	47.012746
"228395"	296.26244	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+3H2O+2H"	56.04448
"1517549"	329.30499	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+IsoProp+H"	61.06479
"412861"	299.216388	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+Na+K"	61.952376
"773856"	433.336488	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+Na+K"	61.952376
"1672379"	165.096288	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Na+K"	61.952376
"256709"	600.496168	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+ACN+Na"	64.015768
"1230514"	332.255968	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+ACN+Na"	64.015768
"1718305"	332.279493	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+NH4+HCOOH"	64.039293
"1184753"	112.402618	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+3Na"	68.967654
"1650634"	337.234888	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Na+HCOOH"	68.994688
"166976"	613.39944	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+2K-H"	76.91904
"606536"	881.63964	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+2K-H"	76.91904
"1093236"	345.15924	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2K-H"	76.91904
"151146"	307.203358	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"2M+2K"	77.926316
"587433"	441.323458	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"3M+2K"	77.926316
"1075223"	173.083258	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2K"	77.926316
"1109525"	347.173792	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2K+H"	78.933592
"1347001"	347.261407	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+DMSO+H"	79.021207
"1013343"	351.300576	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2ACN+H"	83.060376
"1530376"	352.294208	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+IsoProp+Na+H"	84.054008
"991476"	176.153926	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+2ACN+2H"	84.067652
"1592422"	353.208828	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+K+HCOOH"	84.968628
"1421362"	383.240338	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+H+CF3COOH"	115.000138
"1153838"	196.667201	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+3ACN+2H"	125.094202
"1706672"	400.266885	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+NH4+CF3COOH"	132.026685
"1649251"	405.22228	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+Na+CF3COOH"	136.98208
"1586721"	421.19622	"C12100"	"omega-Cyclohexylundecanoic acid;Cyclohexaneundecanoic acid"	"C17H32O2"	"268.2402"	"M+K+CF3COOH"	152.95602
"815997"	126.0681	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M"	0
"989534"	107.04971	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-H2O-H"	-19.01839
"67935"	83.038124	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M-3H"	-3.021828
"507497"	125.060824	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M-3H"	-3.021828
"883112"	41.015424	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-3H"	-3.021828
"3875"	125.060824	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M-2H"	-2.014552
"446717"	188.094874	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M-2H"	-2.014552
"824518"	62.026774	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-2H"	-2.014552
"86695"	251.128924	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M-H"	-1.007276
"524066"	377.197024	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M-H"	-1.007276
"906975"	125.060824	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-H"	-1.007276
"54059"	268.155471	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M-2H+NH4"	16.019271
"499089"	394.223571	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M-2H+NH4"	16.019271
"877257"	142.087371	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-2H+NH4"	16.019271
"40418"	273.110866	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M-2H+Na"	20.974666
"477791"	399.178966	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M-2H+Na"	20.974666
"850367"	147.042766	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-2H+Na"	20.974666
"1621845"	147.042766	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Na-2H"	20.974666
"94600"	143.049163	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M-H+Cl"	33.962126
"537940"	206.083213	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M-H+Cl"	33.962126
"934741"	80.015113	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-H+Cl"	33.962126
"271835"	287.105602	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+Cl"	34.969402
"664621"	413.173702	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+Cl"	34.969402
"1275203"	161.037502	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Cl"	34.969402
"17149"	289.084806	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M-2H+K"	36.948606
"456950"	415.152906	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M-2H+K"	36.948606
"834146"	163.016706	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-2H+K"	36.948606
"1556540"	163.016706	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+K-2H"	36.948606
"945033"	171.066294	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-H+HCOOH"	44.998194
"364344"	297.134401	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+HCOOH-H"	44.998201
"348592"	311.150051	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+Hac-H"	59.013851
"1497060"	185.081951	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Hac-H"	59.013851
"964607"	193.048251	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-H+NaCOOH"	66.980151
"113517"	161.037502	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+2Cl"	69.938804
"559636"	224.071552	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+2Cl"	69.938804
"1022964"	98.003452	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2Cl"	69.938804
"1242910"	204.986985	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Br"	78.918885
"1306451"	207.042972	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Cl+HCOOH"	80.974872
"1321029"	229.024929	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Cl+NaCOOH"	102.956829
"912093"	239.053686	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M-H+CF3COOH"	112.985586
"1291718"	275.030364	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Cl+CF3COOH"	148.962264
"1368054"	91.055424	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H-2H2O"	-35.012676
"1383115"	109.0654	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H-H2O"	-17.0027
"284631"	253.143476	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+H"	1.007276
"681308"	379.211576	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+H"	1.007276
"1355836"	127.075376	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H"	1.007276
"126535"	127.075376	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+2H"	2.014552
"574479"	190.109426	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+2H"	2.014552
"1042187"	64.041326	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2H"	2.014552
"208994"	85.052676	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+3H"	3.021828
"654021"	127.075376	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+3H"	3.021828
"1172147"	43.029976	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+3H"	3.021828
"433233"	270.170023	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+NH4"	18.033823
"790948"	396.238123	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+NH4"	18.033823
"1683633"	144.101923	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+NH4"	18.033823
"334461"	135.5886495	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+H+NH4"	19.041099
"723725"	198.6226995	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+H+NH4"	19.041099
"1478885"	72.5545995	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H+NH4"	19.041099
"393430"	275.125418	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+Na"	22.989218
"759284"	401.193518	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+Na"	22.989218
"1604104"	149.057318	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Na"	22.989218
"317057"	138.066347	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+H+Na"	23.996494
"708141"	201.100397	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+H+Na"	23.996494
"1465856"	75.032297	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H+Na"	23.996494
"1058008"	50.35729	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2H+Na"	25.00377
"1260782"	159.101586	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+CH3OH+H"	33.033486
"383736"	291.099358	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+K"	38.963158
"744730"	417.167458	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+K"	38.963158
"1543502"	165.031258	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+K"	38.963158
"301775"	146.053317	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+H+K"	39.970434
"696386"	209.087367	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+H+K"	39.970434
"1450207"	83.019267	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H+K"	39.970434
"248656"	294.170026	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+ACN+H"	42.033826
"1220999"	168.101926	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+ACN+H"	42.033826
"1198320"	84.554601	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+ACN+2H"	43.041102
"200305"	297.10736	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+2Na-H"	44.97116
"636586"	423.17546	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+2Na-H"	44.97116
"1142280"	171.03926	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2Na-H"	44.97116
"185571"	149.057318	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+2Na"	45.978436
"627076"	212.091368	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+2Na"	45.978436
"1127544"	86.023268	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2Na"	45.978436
"1404507"	57.684604	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H+2Na"	46.985712
"1437716"	173.080846	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H+HCOOH"	47.012746
"228505"	154.09034	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+3H2O+2H"	56.04448
"1515472"	187.13289	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+IsoProp+H"	61.06479
"414064"	157.044288	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+Na+K"	61.952376
"773966"	220.078338	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+Na+K"	61.952376
"1675768"	94.010238	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Na+K"	61.952376
"256819"	316.151968	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+ACN+Na"	64.015768
"1231717"	190.083868	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+ACN+Na"	64.015768
"1718415"	190.107393	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+NH4+HCOOH"	64.039293
"1185957"	65.011918	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+3Na"	68.967654
"1652932"	195.062788	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Na+HCOOH"	68.994688
"165992"	329.05524	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+2K-H"	76.91904
"605553"	455.12334	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+2K-H"	76.91904
"1094442"	202.98714	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2K-H"	76.91904
"150163"	165.031258	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"2M+2K"	77.926316
"590822"	228.065308	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"3M+2K"	77.926316
"1074240"	101.997208	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2K"	77.926316
"1107448"	205.001692	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2K+H"	78.933592
"1343833"	205.089307	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+DMSO+H"	79.021207
"1015641"	209.128476	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2ACN+H"	83.060376
"1532674"	210.122108	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+IsoProp+Na+H"	84.054008
"993653"	105.067876	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+2ACN+2H"	84.067652
"1591439"	211.036728	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+K+HCOOH"	84.968628
"1421473"	241.068238	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+H+CF3COOH"	115.000138
"1152855"	125.581151	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+3ACN+2H"	125.094202
"1704595"	258.094785	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+NH4+CF3COOH"	132.026685
"1649240"	263.05018	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+Na+CF3COOH"	136.98208
"1586831"	279.02412	"C12101"	"1-Cyclohexenecarboxylic acid;Cyclohex-1-enecarboxylic acid;1-Cyclohexene-1-carboxylic acid"	"C7H10O2"	"126.0681"	"M+K+CF3COOH"	152.95602
"812827"	791.482	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M"	0
"989568"	772.46361	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-H2O-H"	-19.01839
"77525"	526.647390666667	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M-3H"	-3.021828
"515261"	790.474724	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M-3H"	-3.021828
"888691"	262.820057333333	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-3H"	-3.021828
"3985"	790.474724	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M-2H"	-2.014552
"446827"	1186.215724	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M-2H"	-2.014552
"823534"	394.733724	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-2H"	-2.014552
"84619"	1581.956724	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M-H"	-1.007276
"525270"	2373.438724	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M-H"	-1.007276
"905262"	790.474724	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-H"	-1.007276
"55263"	1598.983271	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M-2H+NH4"	16.019271
"499199"	2390.465271	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M-2H+NH4"	16.019271
"877001"	807.501271	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-2H+NH4"	16.019271
"42351"	1603.938666	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M-2H+Na"	20.974666
"477901"	2395.420666	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M-2H+Na"	20.974666
"851329"	812.456666	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-2H+Na"	20.974666
"1620010"	812.456666	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Na-2H"	20.974666
"95686"	808.463063	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M-H+Cl"	33.962126
"544610"	1204.204063	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M-H+Cl"	33.962126
"931571"	412.722063	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-H+Cl"	33.962126
"271580"	1617.933402	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+Cl"	34.969402
"665825"	2409.415402	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+Cl"	34.969402
"1277136"	826.451402	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Cl"	34.969402
"18596"	1619.912606	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M-2H+K"	36.948606
"457547"	2411.394606	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M-2H+K"	36.948606
"834499"	828.430606	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-2H+K"	36.948606
"1557624"	828.430606	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+K-2H"	36.948606
"944780"	836.480194	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-H+HCOOH"	44.998194
"365551"	1627.962201	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+HCOOH-H"	44.998201
"349434"	1641.977851	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+Hac-H"	59.013851
"1494985"	850.495851	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Hac-H"	59.013851
"964717"	858.462151	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-H+NaCOOH"	66.980151
"113627"	826.451402	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+2Cl"	69.938804
"559382"	1222.192402	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+2Cl"	69.938804
"1023078"	430.710402	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2Cl"	69.938804
"1242658"	870.400885	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Br"	78.918885
"1305468"	872.456872	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Cl+HCOOH"	80.974872
"1321504"	894.438829	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Cl+NaCOOH"	102.956829
"911834"	904.467586	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M-H+CF3COOH"	112.985586
"1291828"	940.444264	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Cl+CF3COOH"	148.962264
"1367802"	756.469324	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H-2H2O"	-35.012676
"1384931"	774.4793	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H-H2O"	-17.0027
"282981"	1583.971276	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+H"	1.007276
"687979"	2375.453276	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+H"	1.007276
"1356675"	792.489276	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H"	1.007276
"126646"	792.489276	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+2H"	2.014552
"575683"	1188.230276	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+2H"	2.014552
"1047763"	396.748276	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2H"	2.014552
"213476"	528.661942666667	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+3H"	3.021828
"655224"	792.489276	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+3H"	3.021828
"1165696"	264.834609333333	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+3H"	3.021828
"432250"	1600.997823	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+NH4"	18.033823
"789963"	2392.479823	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+NH4"	18.033823
"1686296"	809.515823	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+NH4"	18.033823
"336758"	801.0025495	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+H+NH4"	19.041099
"724445"	1196.7435495	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+H+NH4"	19.041099
"1477902"	405.2615495	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H+NH4"	19.041099
"394758"	1605.953218	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+Na"	22.989218
"754657"	2397.435218	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+Na"	22.989218
"1603487"	814.471218	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Na"	22.989218
"318627"	803.480247	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+H+Na"	23.996494
"707765"	1199.221247	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+H+Na"	23.996494
"1464142"	407.739247	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H+Na"	23.996494
"1058119"	272.161923333333	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2H+Na"	25.00377
"1260892"	824.515486	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+CH3OH+H"	33.033486
"381659"	1621.927158	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+K"	38.963158
"741192"	2413.409158	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+K"	38.963158
"1540693"	830.445158	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+K"	38.963158
"300790"	811.467217	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+H+K"	39.970434
"696497"	1207.208217	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+H+K"	39.970434
"1451410"	415.726217	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H+K"	39.970434
"246578"	1624.997826	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+ACN+H"	42.033826
"1220380"	833.515826	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+ACN+H"	42.033826
"1200982"	417.261551	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+ACN+2H"	43.041102
"199322"	1627.93516	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+2Na-H"	44.97116
"639976"	2419.41716	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+2Na-H"	44.97116
"1145794"	836.45316	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2Na-H"	44.97116
"187626"	814.471218	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+2Na"	45.978436
"625241"	1210.212218	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+2Na"	45.978436
"1130449"	418.730218	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2Na"	45.978436
"1407897"	279.489237333333	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H+2Na"	46.985712
"1443293"	838.494746	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H+HCOOH"	47.012746
"227521"	819.50424	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+3H2O+2H"	56.04448
"1512302"	852.54679	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+IsoProp+H"	61.06479
"415268"	822.458188	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+Na+K"	61.952376
"775170"	1218.199188	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+Na+K"	61.952376
"1676973"	426.717188	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Na+K"	61.952376
"258022"	1646.979768	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+ACN+Na"	64.015768
"1238389"	855.497768	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+ACN+Na"	64.015768
"1722899"	855.521293	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+NH4+HCOOH"	64.039293
"1187160"	286.816551333333	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+3Na"	68.967654
"1652678"	860.476688	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Na+HCOOH"	68.994688
"168289"	1659.88304	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+2K-H"	76.91904
"607849"	2451.36504	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+2K-H"	76.91904
"1094552"	868.40104	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2K-H"	76.91904
"149179"	830.445158	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"2M+2K"	77.926316
"592025"	1226.186158	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"3M+2K"	77.926316
"1078724"	434.704158	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2K"	77.926316
"1110840"	870.415592	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2K+H"	78.933592
"1346129"	870.503207	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+DMSO+H"	79.021207
"1015751"	874.542376	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2ACN+H"	83.060376
"1530597"	875.536008	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+IsoProp+Na+H"	84.054008
"991576"	437.774826	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+2ACN+2H"	84.067652
"1588389"	876.450628	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+K+HCOOH"	84.968628
"1424863"	906.482138	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+H+CF3COOH"	115.000138
"1155151"	458.288101	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+3ACN+2H"	125.094202
"1704705"	923.508685	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+NH4+CF3COOH"	132.026685
"1645823"	928.46408	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+Na+CF3COOH"	136.98208
"1586941"	944.43802	"C12102"	"Immunomycin;Ascomycin;FK520"	"C43H69NO12"	"791.482"	"M+K+CF3COOH"	152.95602
"812937"	282.2559	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M"	0
"987566"	263.23751	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-H2O-H"	-19.01839
"68155"	187.163324	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M-3H"	-3.021828
"510997"	281.248624	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M-3H"	-3.021828
"888801"	93.078024	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-3H"	-3.021828
"7375"	281.248624	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M-2H"	-2.014552
"446937"	422.376574	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M-2H"	-2.014552
"822551"	140.120674	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-2H"	-2.014552
"81449"	563.504524	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M-H"	-1.007276
"523193"	845.760424	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M-H"	-1.007276
"905008"	281.248624	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-H"	-1.007276
"55373"	580.531071	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M-2H+NH4"	16.019271
"499674"	862.786971	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M-2H+NH4"	16.019271
"877840"	298.275171	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-2H+NH4"	16.019271
"40638"	585.486466	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M-2H+Na"	20.974666
"478011"	867.742366	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M-2H+Na"	20.974666
"849252"	303.230566	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-2H+Na"	20.974666
"1618530"	303.230566	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Na-2H"	20.974666
"94489"	299.236963	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M-H+Cl"	33.962126
"541440"	440.364913	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M-H+Cl"	33.962126
"938242"	158.109013	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-H+Cl"	33.962126
"271326"	599.481202	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+Cl"	34.969402
"665935"	881.737102	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+Cl"	34.969402
"1276154"	317.225302	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Cl"	34.969402
"18708"	601.460406	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M-2H+K"	36.948606
"457176"	883.716306	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M-2H+K"	36.948606
"835340"	319.204506	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-2H+K"	36.948606
"1557006"	319.204506	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+K-2H"	36.948606
"946349"	327.254094	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-H+HCOOH"	44.998194
"365661"	609.510001	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+HCOOH-H"	44.998201
"353919"	623.525651	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+Hac-H"	59.013851
"1498378"	341.269751	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Hac-H"	59.013851
"971025"	349.236051	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-H+NaCOOH"	66.980151
"119204"	317.225302	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+2Cl"	69.938804
"557671"	458.353252	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+2Cl"	69.938804
"1021769"	176.097352	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2Cl"	69.938804
"1241714"	361.174785	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Br"	78.918885
"1306308"	363.230772	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Cl+HCOOH"	80.974872
"1323803"	385.212729	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Cl+NaCOOH"	102.956829
"911990"	395.241486	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M-H+CF3COOH"	112.985586
"1290845"	431.218164	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Cl+CF3COOH"	148.962264
"1371924"	247.243224	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H-2H2O"	-35.012676
"1385046"	265.2532	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H-H2O"	-17.0027
"283635"	565.519076	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+H"	1.007276
"684808"	847.774976	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+H"	1.007276
"1362252"	283.263176	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H"	1.007276
"127850"	283.263176	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+2H"	2.014552
"575793"	424.391126	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+2H"	2.014552
"1047873"	142.135226	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2H"	2.014552
"214317"	189.177876	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+3H"	3.021828
"654971"	283.263176	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+3H"	3.021828
"1172366"	95.092576	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+3H"	3.021828
"431268"	582.545623	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+NH4"	18.033823
"791166"	864.801523	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+NH4"	18.033823
"1686770"	300.289723	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+NH4"	18.033823
"336869"	291.7764495	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+H+NH4"	19.041099
"725284"	432.9043995	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+H+NH4"	19.041099
"1478376"	150.6484995	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H+NH4"	19.041099
"393775"	587.501018	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+Na"	22.989218
"755497"	869.756918	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+Na"	22.989218
"1603716"	305.245118	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Na"	22.989218
"315091"	294.254147	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+H+Na"	23.996494
"708244"	435.382097	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+H+Na"	23.996494
"1464982"	153.126197	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H+Na"	23.996494
"1059321"	102.41989	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2H+Na"	25.00377
"1259906"	315.289386	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+CH3OH+H"	33.033486
"380670"	603.474958	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+K"	38.963158
"739112"	885.730858	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+K"	38.963158
"1540439"	321.219058	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+K"	38.963158
"300898"	302.241117	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+H+K"	39.970434
"692352"	443.369067	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+H+K"	39.970434
"1450424"	161.113167	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H+K"	39.970434
"245595"	606.545626	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+ACN+H"	42.033826
"1218302"	324.289726	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+ACN+H"	42.033826
"1201092"	162.648501	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+ACN+2H"	43.041102
"200524"	609.48296	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+2Na-H"	44.97116
"636804"	891.73886	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+2Na-H"	44.97116
"1146390"	327.22706	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2Na-H"	44.97116
"187736"	305.245118	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+2Na"	45.978436
"628032"	446.373068	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+2Na"	45.978436
"1130807"	164.117168	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2Na"	45.978436
"1410194"	109.747204	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H+2Na"	46.985712
"1442310"	329.268646	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H+HCOOH"	47.012746
"223258"	310.27814	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+3H2O+2H"	56.04448
"1511318"	343.32069	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+H"	61.06479
"416469"	313.232088	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+Na+K"	61.952376
"775279"	454.360038	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+Na+K"	61.952376
"1672706"	172.104138	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Na+K"	61.952376
"255945"	628.527568	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+ACN+Na"	64.015768
"1230842"	346.271668	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+ACN+Na"	64.015768
"1716447"	346.295193	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+NH4+HCOOH"	64.039293
"1180708"	117.074518	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+3Na"	68.967654
"1650029"	351.250588	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Na+HCOOH"	68.994688
"168399"	641.43084	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+2K-H"	76.91904
"607959"	923.68674	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+2K-H"	76.91904
"1094662"	359.17494	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2K-H"	76.91904
"148196"	321.219058	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"2M+2K"	77.926316
"591039"	462.347008	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"3M+2K"	77.926316
"1079925"	180.091108	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2K"	77.926316
"1109855"	361.189492	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2K+H"	78.933592
"1344051"	361.277107	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+DMSO+H"	79.021207
"1007476"	365.316276	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2ACN+H"	83.060376
"1527426"	366.309908	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+IsoProp+Na+H"	84.054008
"990348"	183.161776	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+2ACN+2H"	84.067652
"1588378"	367.224528	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+K+HCOOH"	84.968628
"1421692"	397.256038	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+H+CF3COOH"	115.000138
"1155261"	203.675051	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+3ACN+2H"	125.094202
"1700439"	414.282585	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+NH4+CF3COOH"	132.026685
"1645933"	419.23798	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+Na+CF3COOH"	136.98208
"1577210"	435.21192	"C12103"	"omega-Cycloheptylundecanoic acid"	"C18H34O2"	"282.2559"	"M+K+CF3COOH"	152.95602
"812683"	142.0994	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M"	0
"984396"	123.08101	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-H2O-H"	-19.01839
"76648"	93.7256573333333	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M-3H"	-3.021828
"508920"	141.092124	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M-3H"	-3.021828
"882350"	46.3591906666667	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-3H"	-3.021828
"6391"	141.092124	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M-2H"	-2.014552
"444859"	212.141824	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M-2H"	-2.014552
"821566"	70.042424	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-2H"	-2.014552
"83745"	283.191524	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M-H"	-1.007276
"523303"	425.290924	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M-H"	-1.007276
"905118"	141.092124	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-H"	-1.007276
"58763"	300.218071	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M-2H+NH4"	16.019271
"499784"	442.317471	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M-2H+NH4"	16.019271
"878193"	158.118671	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-2H+NH4"	16.019271
"45122"	305.173466	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M-2H+Na"	20.974666
"479214"	447.272866	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M-2H+Na"	20.974666
"849362"	163.074066	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-2H+Na"	20.974666
"1618510"	163.074066	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Na-2H"	20.974666
"94851"	159.080463	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M-H+Cl"	33.962126
"541550"	230.130163	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M-H+Cl"	33.962126
"939811"	88.030763	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-H+Cl"	33.962126
"269978"	319.168202	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+Cl"	34.969402
"664588"	461.267602	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+Cl"	34.969402
"1276265"	177.068802	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Cl"	34.969402
"18820"	321.147406	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M-2H+K"	36.948606
"460566"	463.246806	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M-2H+K"	36.948606
"835086"	179.048006	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-2H+K"	36.948606
"1557481"	179.048006	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+K-2H"	36.948606
"944273"	187.097594	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-H+HCOOH"	44.998194
"367958"	329.197001	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+HCOOH-H"	44.998201
"352937"	343.212651	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+Hac-H"	59.013851
"1496302"	201.113251	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Hac-H"	59.013851
"967856"	209.079551	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-H+NaCOOH"	66.980151
"122596"	177.068802	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+2Cl"	69.938804
"561791"	248.118502	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+2Cl"	69.938804
"1023300"	106.019102	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2Cl"	69.938804
"1242878"	221.018285	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Br"	78.918885
"1305326"	223.074272	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Cl+HCOOH"	80.974872
"1321730"	245.056229	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Cl+NaCOOH"	102.956829
"911362"	255.084986	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M-H+CF3COOH"	112.985586
"1289173"	291.061664	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Cl+CF3COOH"	148.962264
"1370941"	107.086724	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H-2H2O"	-35.012676
"1384427"	125.0967	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H-H2O"	-17.0027
"283138"	285.206076	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+H"	1.007276
"682732"	427.305476	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+H"	1.007276
"1362362"	143.106676	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H"	1.007276
"127596"	143.106676	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+2H"	2.014552
"575903"	214.156376	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+2H"	2.014552
"1047619"	72.056976	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2H"	2.014552
"215884"	95.7402093333333	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+3H"	3.021828
"656904"	143.106676	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+3H"	3.021828
"1173570"	48.3737426666667	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+3H"	3.021828
"433564"	302.232623	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+NH4"	18.033823
"793464"	444.332023	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+NH4"	18.033823
"1690889"	160.133223	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+NH4"	18.033823
"336978"	151.6199495	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+H+NH4"	19.041099
"725392"	222.6696495	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+H+NH4"	19.041099
"1479215"	80.5702495	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H+NH4"	19.041099
"395708"	307.188018	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+Na"	22.989218
"756701"	449.287418	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+Na"	22.989218
"1603341"	165.088618	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Na"	22.989218
"319937"	154.097647	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+H+Na"	23.996494
"708956"	225.147347	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+H+Na"	23.996494
"1461805"	83.047947	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H+Na"	23.996494
"1057245"	55.7010566666667	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2H+Na"	25.00377
"1260017"	175.132886	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+CH3OH+H"	33.033486
"380781"	323.161958	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+K"	38.963158
"741777"	465.261358	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+K"	38.963158
"1541645"	181.062558	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+K"	38.963158
"302103"	162.084617	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+H+K"	39.970434
"696715"	233.134317	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+H+K"	39.970434
"1448348"	91.034917	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H+K"	39.970434
"248622"	326.232626	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+ACN+H"	42.033826
"1219507"	184.133226	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+ACN+H"	42.033826
"1204484"	92.570251	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+ACN+2H"	43.041102
"199541"	329.16996	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+2Na-H"	44.97116
"640926"	471.26936	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+2Na-H"	44.97116
"1146379"	187.07056	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2Na-H"	44.97116
"187846"	165.088618	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+2Na"	45.978436
"627897"	236.138318	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+2Na"	45.978436
"1130431"	94.038918	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2Na"	45.978436
"1408116"	63.0283706666667	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H+2Na"	46.985712
"1442420"	189.112146	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H+HCOOH"	47.012746
"223368"	170.12164	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+3H2O+2H"	56.04448
"1514708"	203.16419	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+IsoProp+H"	61.06479
"413299"	173.075588	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+Na+K"	61.952376
"773202"	244.125288	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+Na+K"	61.952376
"1673909"	102.025888	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Na+K"	61.952376
"256054"	348.214568	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+ACN+Na"	64.015768
"1233138"	206.115168	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+ACN+Na"	64.015768
"1716557"	206.138693	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+NH4+HCOOH"	64.039293
"1180818"	70.3556846666667	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+3Na"	68.967654
"1651436"	211.094088	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Na+HCOOH"	68.994688
"168874"	361.11784	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+2K-H"	76.91904
"609164"	503.21724	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+2K-H"	76.91904
"1095866"	219.01844	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2K-H"	76.91904
"148306"	181.062558	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"2M+2K"	77.926316
"590056"	252.112258	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"3M+2K"	77.926316
"1080036"	110.012858	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2K"	77.926316
"1111423"	221.032992	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2K+H"	78.933592
"1345254"	221.120607	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+DMSO+H"	79.021207
"1007222"	225.159776	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2ACN+H"	83.060376
"1528629"	226.153408	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+IsoProp+Na+H"	84.054008
"990214"	113.083526	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+2ACN+2H"	84.067652
"1590675"	227.068028	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+K+HCOOH"	84.968628
"1421802"	257.099538	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+H+CF3COOH"	115.000138
"1150997"	133.596801	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+3ACN+2H"	125.094202
"1700549"	274.126085	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+NH4+CF3COOH"	132.026685
"1646043"	279.08148	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+Na+CF3COOH"	136.98208
"1577320"	295.05542	"C12104"	"Cycloheptanecarboxylic acid;Cycloheptanoic acid"	"C8H14O2"	"142.0994"	"M+K+CF3COOH"	152.95602
"809877"	211.9602	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M"	0
"985599"	192.94181	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-H2O-H"	-19.01839
"70562"	140.299524	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M-3H"	-3.021828
"507937"	210.952924	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M-3H"	-3.021828
"884646"	69.646124	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-3H"	-3.021828
"3219"	210.952924	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M-2H"	-2.014552
"442779"	316.933024	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M-2H"	-2.014552
"820581"	104.972824	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-2H"	-2.014552
"81666"	422.913124	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M-H"	-1.007276
"521226"	634.873324	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M-H"	-1.007276
"896473"	210.952924	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-H"	-1.007276
"55592"	439.939671	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M-2H+NH4"	16.019271
"497342"	651.899871	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M-2H+NH4"	16.019271
"876967"	227.979471	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-2H+NH4"	16.019271
"43045"	444.895066	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M-2H+Na"	20.974666
"480417"	656.855266	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M-2H+Na"	20.974666
"850565"	232.934866	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-2H+Na"	20.974666
"1619038"	232.934866	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Na-2H"	20.974666
"95037"	228.941263	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M-H+Cl"	33.962126
"542753"	334.921363	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M-H+Cl"	33.962126
"940407"	122.961163	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-H+Cl"	33.962126
"270453"	458.889802	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+Cl"	34.969402
"667249"	670.850002	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+Cl"	34.969402
"1277468"	246.929602	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Cl"	34.969402
"21116"	460.869006	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M-2H+K"	36.948606
"459946"	672.829206	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M-2H+K"	36.948606
"835195"	248.908806	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-2H+K"	36.948606
"1557226"	248.908806	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+K-2H"	36.948606
"943648"	256.958394	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-H+HCOOH"	44.998194
"362964"	468.918601	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+HCOOH-H"	44.998201
"349767"	482.934251	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+Hac-H"	59.013851
"1494225"	270.974051	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Hac-H"	59.013851
"969059"	278.940351	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-H+NaCOOH"	66.980151
"120519"	246.929602	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+2Cl"	69.938804
"562266"	352.909702	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+2Cl"	69.938804
"1022681"	140.949502	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2Cl"	69.938804
"1242259"	290.879085	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Br"	78.918885
"1306165"	292.935072	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Cl+HCOOH"	80.974872
"1324027"	314.917029	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Cl+NaCOOH"	102.956829
"912169"	324.945786	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M-H+CF3COOH"	112.985586
"1289243"	360.922464	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Cl+CF3COOH"	148.962264
"1369958"	176.947524	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H-2H2O"	-35.012676
"1383803"	194.9575	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H-H2O"	-17.0027
"283614"	424.927676	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+H"	1.007276
"682842"	636.887876	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+H"	1.007276
"1364294"	212.967476	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H"	1.007276
"130986"	212.967476	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+2H"	2.014552
"576013"	318.947576	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+2H"	2.014552
"1045905"	106.987376	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2H"	2.014552
"214902"	142.314076	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+3H"	3.021828
"655555"	212.967476	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+3H"	3.021828
"1174046"	71.660676	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+3H"	3.021828
"435859"	441.954223	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+NH4"	18.033823
"793574"	653.914423	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+NH4"	18.033823
"1688811"	229.994023	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+NH4"	18.033823
"334903"	221.4807495	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+H+NH4"	19.041099
"726596"	327.4608495	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+H+NH4"	19.041099
"1480782"	115.5006495	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H+NH4"	19.041099
"396182"	446.909618	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+Na"	22.989218
"757906"	658.869818	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+Na"	22.989218
"1605274"	234.949418	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Na"	22.989218
"318228"	223.958447	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+H+Na"	23.996494
"709552"	329.938547	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+H+Na"	23.996494
"1462400"	117.978347	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H+Na"	23.996494
"1058448"	78.98799	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2H+Na"	25.00377
"1259035"	244.993686	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+CH3OH+H"	33.033486
"380891"	462.883558	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+K"	38.963158
"741158"	674.843758	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+K"	38.963158
"1541755"	250.923358	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+K"	38.963158
"303307"	231.945417	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+H+K"	39.970434
"693176"	337.925517	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+H+K"	39.970434
"1445905"	125.965317	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H+K"	39.970434
"248732"	465.954226	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+ACN+H"	42.033826
"1220711"	253.994026	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+ACN+H"	42.033826
"1204594"	127.500651	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+ACN+2H"	43.041102
"199287"	468.89156	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+2Na-H"	44.97116
"640306"	680.85176	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+2Na-H"	44.97116
"1145515"	256.93136	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2Na-H"	44.97116
"186740"	234.949418	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+2Na"	45.978436
"624478"	340.929518	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+2Na"	45.978436
"1129078"	128.969318	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2Na"	45.978436
"1403123"	86.315304	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H+2Na"	46.985712
"1439250"	258.972946	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H+HCOOH"	47.012746
"224570"	239.98244	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+3H2O+2H"	56.04448
"1510806"	273.02499	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+IsoProp+H"	61.06479
"410493"	242.936388	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+Na+K"	61.952376
"772219"	348.916488	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+Na+K"	61.952376
"1672925"	136.956288	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Na+K"	61.952376
"257257"	487.936168	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+ACN+Na"	64.015768
"1233248"	275.975968	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+ACN+Na"	64.015768
"1714844"	275.999493	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+NH4+HCOOH"	64.039293
"1179101"	93.642618	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+3Na"	68.967654
"1650819"	280.954888	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Na+HCOOH"	68.994688
"157681"	500.83944	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+2K-H"	76.91904
"601617"	712.79964	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+2K-H"	76.91904
"1084428"	288.87924	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2K-H"	76.91904
"145134"	250.923358	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"2M+2K"	77.926316
"591258"	356.903458	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"3M+2K"	77.926316
"1077956"	144.943258	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2K"	77.926316
"1111167"	290.893792	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2K+H"	78.933592
"1339896"	290.981407	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+DMSO+H"	79.021207
"1005665"	295.020576	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2ACN+H"	83.060376
"1525089"	296.014208	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+IsoProp+Na+H"	84.054008
"992999"	148.013926	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+2ACN+2H"	84.067652
"1590784"	296.928828	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+K+HCOOH"	84.968628
"1419725"	326.960338	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+H+CF3COOH"	115.000138
"1151107"	168.527201	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+3ACN+2H"	125.094202
"1702846"	343.986885	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+NH4+CF3COOH"	132.026685
"1646153"	348.94228	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+Na+CF3COOH"	136.98208
"1577430"	364.91622	"C12105"	"Thiotropocin"	"C8H4O3S2"	"211.9602"	"M+K+CF3COOH"	152.95602
"816510"	287.0406	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M"	0
"988626"	268.02221	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-H2O-H"	-19.01839
"76868"	190.353124	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M-3H"	-3.021828
"506953"	286.033324	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M-3H"	-3.021828
"885851"	94.672924	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-3H"	-3.021828
"4423"	286.033324	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M-2H"	-2.014552
"443984"	429.553624	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M-2H"	-2.014552
"821784"	142.513024	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-2H"	-2.014552
"80683"	573.073924	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M-H"	-1.007276
"521336"	860.114524	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M-H"	-1.007276
"896583"	286.033324	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-H"	-1.007276
"54609"	590.100471	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M-2H+NH4"	16.019271
"495265"	877.141071	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M-2H+NH4"	16.019271
"874526"	303.059871	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-2H+NH4"	16.019271
"42427"	595.055866	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M-2H+Na"	20.974666
"477247"	882.096466	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M-2H+Na"	20.974666
"853957"	308.015266	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-2H+Na"	20.974666
"1619231"	308.015266	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Na-2H"	20.974666
"94908"	304.021663	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M-H+Cl"	33.962126
"547238"	447.541963	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M-H+Cl"	33.962126
"933104"	160.501363	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-H+Cl"	33.962126
"270563"	609.050602	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+Cl"	34.969402
"667359"	896.091202	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+Cl"	34.969402
"1276484"	322.010002	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Cl"	34.969402
"22319"	611.029806	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M-2H+K"	36.948606
"460785"	898.070406	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M-2H+K"	36.948606
"836399"	323.989206	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-2H+K"	36.948606
"1559160"	323.989206	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+K-2H"	36.948606
"944488"	332.038794	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-H+HCOOH"	44.998194
"362710"	619.079401	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+HCOOH-H"	44.998201
"350969"	633.095051	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+Hac-H"	59.013851
"1494333"	346.054451	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Hac-H"	59.013851
"964065"	354.020751	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-H+NaCOOH"	66.980151
"120628"	322.010002	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+2Cl"	69.938804
"560918"	465.530302	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+2Cl"	69.938804
"1022427"	178.489702	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2Cl"	69.938804
"1243098"	365.959485	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Br"	78.918885
"1307734"	368.015472	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Cl+HCOOH"	80.974872
"1325230"	389.997429	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Cl+NaCOOH"	102.956829
"912279"	400.026186	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M-H+CF3COOH"	112.985586
"1290811"	436.002864	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Cl+CF3COOH"	148.962264
"1371161"	252.027924	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H-2H2O"	-35.012676
"1384283"	270.0379	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H-H2O"	-17.0027
"283115"	575.088476	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+H"	1.007276
"682952"	862.129076	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+H"	1.007276
"1360396"	288.047876	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H"	1.007276
"133283"	288.047876	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+2H"	2.014552
"576123"	431.568176	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+2H"	2.014552
"1046016"	144.527576	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2H"	2.014552
"216107"	192.367676	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+3H"	3.021828
"655665"	288.047876	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+3H"	3.021828
"1173791"	96.687476	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+3H"	3.021828
"437793"	592.115023	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+NH4"	18.033823
"791498"	879.155623	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+NH4"	18.033823
"1686735"	305.074423	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+NH4"	18.033823
"333920"	296.5611495	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+H+NH4"	19.041099
"726706"	440.0814495	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+H+NH4"	19.041099
"1481620"	153.0408495	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H+NH4"	19.041099
"396655"	597.070418	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+Na"	22.989218
"757651"	884.111018	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+Na"	22.989218
"1606841"	310.029818	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Na"	22.989218
"319066"	299.038847	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+H+Na"	23.996494
"710392"	442.559147	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+H+Na"	23.996494
"1463125"	155.518547	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H+Na"	23.996494
"1053210"	104.01479	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2H+Na"	25.00377
"1260603"	320.074086	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+CH3OH+H"	33.033486
"381000"	613.044358	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+K"	38.963158
"740903"	900.084958	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+K"	38.963158
"1542957"	326.003758	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+K"	38.963158
"300133"	307.025817	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+H+K"	39.970434
"693644"	450.546117	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+H+K"	39.970434
"1447838"	163.505517	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H+K"	39.970434
"250180"	616.115026	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+ACN+H"	42.033826
"1219728"	329.074426	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+ACN+H"	42.033826
"1205798"	165.040851	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+ACN+2H"	43.041102
"198667"	619.05236	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+2Na-H"	44.97116
"641146"	906.09296	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+2Na-H"	44.97116
"1145873"	332.01176	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2Na-H"	44.97116
"186975"	310.029818	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+2Na"	45.978436
"626411"	453.550118	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+2Na"	45.978436
"1127000"	166.509518	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2Na"	45.978436
"1406149"	111.342104	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H+2Na"	46.985712
"1436079"	334.053346	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H+HCOOH"	47.012746
"225773"	315.06284	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+3H2O+2H"	56.04448
"1511647"	348.10539	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+IsoProp+H"	61.06479
"410239"	318.016788	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+Na+K"	61.952376
"774516"	461.537088	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+Na+K"	61.952376
"1670848"	174.496488	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Na+K"	61.952376
"255180"	638.096968	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+ACN+Na"	64.015768
"1233358"	351.056368	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+ACN+Na"	64.015768
"1714587"	351.079893	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+NH4+HCOOH"	64.039293
"1178970"	118.669418	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+3Na"	68.967654
"1650563"	356.035288	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Na+HCOOH"	68.994688
"158396"	651.00024	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+2K-H"	76.91904
"599048"	938.04084	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+2K-H"	76.91904
"1085265"	363.95964	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2K-H"	76.91904
"142326"	326.003758	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"2M+2K"	77.926316
"591367"	469.524058	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"3M+2K"	77.926316
"1075879"	182.483458	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2K"	77.926316
"1111277"	365.974192	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2K+H"	78.933592
"1340006"	366.061807	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+DMSO+H"	79.021207
"1005978"	370.100976	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2ACN+H"	83.060376
"1524828"	371.094608	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+IsoProp+Na+H"	84.054008
"990434"	185.554126	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+2ACN+2H"	84.067652
"1589801"	372.009228	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+K+HCOOH"	84.968628
"1419835"	402.040738	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+H+CF3COOH"	115.000138
"1150123"	206.067401	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+3ACN+2H"	125.094202
"1699676"	419.067285	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+NH4+CF3COOH"	132.026685
"1646263"	424.02268	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+Na+CF3COOH"	136.98208
"1577540"	439.99662	"C12106"	"AminoDAHP"	"C7H14NO9P"	"287.0406"	"M+K+CF3COOH"	152.95602
"815566"	153.0426	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M"	0
"986914"	134.02421	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"75156"	101.021124	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"504877"	152.035324	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"885961"	50.006924	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"2347"	152.035324	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"441908"	228.556624	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"819708"	75.514024	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"80793"	305.077924	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"521446"	458.120524	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"897182"	152.035324	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"56906"	322.104471	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"499021"	475.147071	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"875730"	169.061871	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"42901"	327.059866	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"477357"	480.102466	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"854067"	174.017266	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1624691"	174.017266	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"97940"	170.023663	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"547348"	246.544963	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"933214"	93.502363	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"268485"	341.054602	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"664189"	494.097202	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1275500"	188.012002	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"19514"	343.033806	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"460895"	496.076406	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"834690"	189.991206	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1556961"	189.991206	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"944114"	198.040794	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"362576"	351.083401	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"349986"	365.099051	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1493710"	212.056451	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"965268"	220.022751	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"119645"	188.012002	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"562122"	264.533302	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1030191"	111.490702	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1245396"	231.961485	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1312218"	234.017472	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1326435"	255.999429	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"914212"	266.028186	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1293108"	302.004864	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1369083"	118.029924	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1384393"	136.0399	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"288454"	307.092476	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"683062"	460.135076	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1359412"	154.049876	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"129020"	154.049876	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"577327"	230.571176	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1049406"	77.528576	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"212937"	103.035676	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"654682"	154.049876	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1176088"	52.021476	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"434986"	324.119023	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"798901"	477.161623	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1686846"	171.076423	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"337311"	162.5631495	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"729005"	239.0844495	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1482826"	86.0418495	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"400047"	329.074418	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"761043"	482.117018	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1610232"	176.031818	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"322456"	165.040847	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"710503"	241.562147	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1465420"	88.519547	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1055388"	59.34879	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1258527"	186.076086	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"380019"	345.048358	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"739190"	498.090958	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1541974"	192.005758	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"298642"	173.027817	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"695942"	249.549117	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1447211"	96.506517	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"244942"	348.119026	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1220931"	195.076426	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1204451"	98.041851	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"194405"	351.05636	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"641256"	504.09896	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1146667"	198.01376	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"187324"	176.031818	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"625791"	252.553118	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1127110"	99.510518	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1404437"	66.676104	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1435096"	200.055346	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"223332"	181.06484	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1511757"	214.10739	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"413627"	184.018788	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"774626"	260.540088	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1669865"	107.497488	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"253104"	370.100968	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1233468"	217.058368	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1714333"	217.081893	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1178712"	74.003418	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1652132"	222.037288	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"158749"	383.00424	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"599039"	536.04684	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1085739"	229.96164	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"142436"	192.005758	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"590384"	268.527058	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1071615"	115.484458	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1105919"	231.976192	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1337313"	232.063807	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1006329"	236.102976	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1525184"	237.096608	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"990540"	118.555126	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1587965"	238.011228	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1416665"	268.042738	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1147672"	139.068401	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1700879"	285.069285	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1646373"	290.02468	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1574368"	305.99862	"C12107"	"3-Amino-5-hydroxybenzoate;AHBA;3-Amino-5-hydroxybenzoic acid;3-Ahba"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"816994"	171.0532	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M"	0
"989812"	152.03481	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-H2O-H"	-19.01839
"77940"	113.028190666667	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M-3H"	-3.021828
"508267"	170.045924	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M-3H"	-3.021828
"887164"	56.0104573333333	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-3H"	-3.021828
"3548"	170.045924	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M-2H"	-2.014552
"444201"	255.572524	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M-2H"	-2.014552
"819816"	84.519324	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-2H"	-2.014552
"79806"	341.099124	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M-H"	-1.007276
"518917"	512.152324	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M-H"	-1.007276
"897171"	170.045924	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-H"	-1.007276
"49359"	358.125671	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M-2H+NH4"	16.019271
"487376"	529.178871	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M-2H+NH4"	16.019271
"867816"	187.072471	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-2H+NH4"	16.019271
"41187"	363.081066	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M-2H+Na"	20.974666
"478561"	534.134266	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M-2H+Na"	20.974666
"857457"	192.027866	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-2H+Na"	20.974666
"1623710"	192.027866	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Na-2H"	20.974666
"101332"	188.034263	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M-H+Cl"	33.962126
"540897"	273.560863	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M-H+Cl"	33.962126
"935511"	102.507663	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-H+Cl"	33.962126
"274068"	377.075802	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+Cl"	34.969402
"662110"	548.129002	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+Cl"	34.969402
"1275606"	206.022602	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Cl"	34.969402
"18527"	379.055006	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M-2H+K"	36.948606
"458818"	550.108206	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M-2H+K"	36.948606
"837714"	208.001806	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-2H+K"	36.948606
"1560111"	208.001806	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+K-2H"	36.948606
"943740"	216.051394	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-H+HCOOH"	44.998194
"365117"	387.104601	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+HCOOH-H"	44.998201
"353376"	401.120251	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+Hac-H"	59.013851
"1494553"	230.067051	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Hac-H"	59.013851
"965378"	238.033351	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-H+NaCOOH"	66.980151
"115380"	206.022602	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+2Cl"	69.938804
"562596"	291.549202	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+2Cl"	69.938804
"1032123"	120.496002	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2Cl"	69.938804
"1247692"	249.972085	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Br"	78.918885
"1314515"	252.028072	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Cl+HCOOH"	80.974872
"1330918"	274.010029	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Cl+NaCOOH"	102.956829
"917603"	284.038786	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M-H+CF3COOH"	112.985586
"1298685"	320.015464	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Cl+CF3COOH"	148.962264
"1374660"	136.040524	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H-2H2O"	-35.012676
"1386691"	154.0505	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H-H2O"	-17.0027
"289657"	343.113676	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+H"	1.007276
"686452"	514.166876	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+H"	1.007276
"1361709"	172.060476	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H"	1.007276
"136420"	172.060476	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+2H"	2.014552
"578532"	257.587076	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+2H"	2.014552
"1052750"	86.533876	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2H"	2.014552
"216328"	115.042742666667	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+3H"	3.021828
"653699"	172.060476	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+3H"	3.021828
"1177659"	58.0250093333333	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+3H"	3.021828
"438013"	360.140223	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+NH4"	18.033823
"800104"	531.193423	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+NH4"	18.033823
"1689143"	189.087023	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+NH4"	18.033823
"338515"	180.5737495	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+H+NH4"	19.041099
"734949"	266.1003495	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+H+NH4"	19.041099
"1489132"	95.0471495	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H+NH4"	19.041099
"404530"	365.095618	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+Na"	22.989218
"764431"	536.148818	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+Na"	22.989218
"1614715"	194.042418	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Na"	22.989218
"324753"	183.051447	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+H+Na"	23.996494
"718268"	268.578047	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+H+Na"	23.996494
"1468809"	97.524847	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H+Na"	23.996494
"1056591"	65.3523233333333	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2H+Na"	25.00377
"1262646"	204.086686	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+CH3OH+H"	33.033486
"382315"	381.069558	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+K"	38.963158
"740030"	552.122758	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+K"	38.963158
"1544271"	210.016358	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+K"	38.963158
"299623"	191.038417	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+H+K"	39.970434
"703706"	276.565017	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+H+K"	39.970434
"1449876"	105.511817	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H+K"	39.970434
"245052"	384.140226	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+ACN+H"	42.033826
"1222864"	213.087026	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+ACN+H"	42.033826
"1204561"	107.047151	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+ACN+2H"	43.041102
"197795"	387.07756	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+2Na-H"	44.97116
"641366"	558.13076	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+2Na-H"	44.97116
"1146695"	216.02436	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2Na-H"	44.97116
"187434"	194.042418	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+2Na"	45.978436
"625901"	279.569018	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+2Na"	45.978436
"1131327"	108.515818	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2Na"	45.978436
"1408556"	72.6796373333333	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H+2Na"	46.985712
"1440672"	218.065946	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H+HCOOH"	47.012746
"224901"	199.07544	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+3H2O+2H"	56.04448
"1511138"	232.11799	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+IsoProp+H"	61.06479
"413737"	202.029388	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+Na+K"	61.952376
"773642"	287.555988	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+Na+K"	61.952376
"1671069"	116.502788	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Na+K"	61.952376
"253214"	406.122168	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+ACN+Na"	64.015768
"1235765"	235.068968	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+ACN+Na"	64.015768
"1715903"	235.092493	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+NH4+HCOOH"	64.039293
"1180164"	80.0069513333333	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+3Na"	68.967654
"1653334"	240.047888	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Na+HCOOH"	68.994688
"160560"	419.02544	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+2K-H"	76.91904
"600849"	590.07864	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+2K-H"	76.91904
"1090831"	247.97224	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2K-H"	76.91904
"146188"	210.016358	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"2M+2K"	77.926316
"586115"	295.542958	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"3M+2K"	77.926316
"1071725"	124.489758	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2K"	77.926316
"1101164"	249.986792	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2K+H"	78.933592
"1338038"	250.074407	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+DMSO+H"	79.021207
"1006932"	254.113576	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2ACN+H"	83.060376
"1527973"	255.107208	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+IsoProp+Na+H"	84.054008
"991261"	127.560426	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+2ACN+2H"	84.067652
"1587704"	256.021828	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+K+HCOOH"	84.968628
"1416775"	286.053338	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+H+CF3COOH"	115.000138
"1147301"	148.073701	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+3ACN+2H"	125.094202
"1700989"	303.079885	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+NH4+CF3COOH"	132.026685
"1646483"	308.03528	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+Na+CF3COOH"	136.98208
"1573385"	324.00922	"C12108"	"5-Amino-5-deoxy-3-dehydroshikimate;AminoDHS;5-Deoxy-5-amino-3-dehydroshikimic acid"	"C7H9NO4"	"171.0532"	"M+K+CF3COOH"	152.95602
"814693"	189.0637	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M"	0
"988227"	170.04531	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-H2O-H"	-19.01839
"71002"	125.035190666667	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M-3H"	-3.021828
"507284"	188.056424	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M-3H"	-3.021828
"888368"	62.0139573333333	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-3H"	-3.021828
"1471"	188.056424	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M-2H"	-2.014552
"440181"	282.588274	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M-2H"	-2.014552
"819926"	93.524574	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-2H"	-2.014552
"79919"	377.120124	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M-H"	-1.007276
"519600"	566.183824	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M-H"	-1.007276
"896671"	188.056424	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-H"	-1.007276
"48376"	394.146671	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M-2H+NH4"	16.019271
"487931"	583.210371	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M-2H+NH4"	16.019271
"869019"	205.082971	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-2H+NH4"	16.019271
"35828"	399.102066	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M-2H+Na"	20.974666
"474295"	588.165766	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M-2H+Na"	20.974666
"851004"	210.038366	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-2H+Na"	20.974666
"1626004"	210.038366	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Na-2H"	20.974666
"101440"	206.044763	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M-H+Cl"	33.962126
"541007"	300.576613	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M-H+Cl"	33.962126
"933434"	111.512913	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-H+Cl"	33.962126
"270898"	413.096802	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+Cl"	34.969402
"663319"	602.160502	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+Cl"	34.969402
"1277910"	224.033102	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Cl"	34.969402
"17546"	415.076006	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M-2H+K"	36.948606
"460022"	604.139706	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M-2H+K"	36.948606
"837826"	226.012306	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-2H+K"	36.948606
"1556940"	226.012306	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+K-2H"	36.948606
"943729"	234.061894	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-H+HCOOH"	44.998194
"364132"	423.125601	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+HCOOH-H"	44.998201
"348018"	437.141251	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+Hac-H"	59.013851
"1494663"	248.077551	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Hac-H"	59.013851
"964395"	256.043851	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-H+NaCOOH"	66.980151
"114397"	224.033102	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+2Cl"	69.938804
"561613"	318.564952	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+2Cl"	69.938804
"1029317"	129.501252	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2Cl"	69.938804
"1244522"	267.982585	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Br"	78.918885
"1311345"	270.038572	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Cl+HCOOH"	80.974872
"1331028"	292.020529	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Cl+NaCOOH"	102.956829
"916620"	302.049286	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M-H+CF3COOH"	112.985586
"1294422"	338.025964	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Cl+CF3COOH"	148.962264
"1371491"	154.051024	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H-2H2O"	-35.012676
"1388988"	172.061	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H-H2O"	-17.0027
"289767"	379.134676	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+H"	1.007276
"681094"	568.198376	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+H"	1.007276
"1356352"	190.070976	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H"	1.007276
"130334"	190.070976	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+2H"	2.014552
"578642"	284.602826	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+2H"	2.014552
"1049263"	95.539126	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2H"	2.014552
"216436"	127.049742666667	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+3H"	3.021828
"659808"	190.070976	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+3H"	3.021828
"1175216"	64.0285093333333	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+3H"	3.021828
"437759"	396.161223	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+NH4"	18.033823
"800214"	585.224923	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+NH4"	18.033823
"1689254"	207.097523	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+NH4"	18.033823
"340813"	198.5842495	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+H+NH4"	19.041099
"729956"	293.1160995	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+H+NH4"	19.041099
"1483775"	104.0523995	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H+NH4"	19.041099
"403547"	401.116618	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+Na"	22.989218
"762355"	590.180318	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+Na"	22.989218
"1610454"	212.052918	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Na"	22.989218
"323770"	201.061947	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+H+Na"	23.996494
"716192"	295.593797	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+H+Na"	23.996494
"1465641"	106.530097	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H+Na"	23.996494
"1056697"	71.3558233333333	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2H+Na"	25.00377
"1262750"	222.097186	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+CH3OH+H"	33.033486
"381330"	417.090558	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+K"	38.963158
"738921"	606.154258	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+K"	38.963158
"1540289"	228.026858	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+K"	38.963158
"300462"	209.048917	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+H+K"	39.970434
"702722"	303.580767	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+H+K"	39.970434
"1448892"	114.517067	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H+K"	39.970434
"245162"	420.161226	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+ACN+H"	42.033826
"1222610"	231.097526	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+ACN+H"	42.033826
"1204671"	116.052401	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+ACN+2H"	43.041102
"198998"	423.09856	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+2Na-H"	44.97116
"640383"	612.16226	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+2Na-H"	44.97116
"1146076"	234.03486	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2Na-H"	44.97116
"187544"	212.052918	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+2Na"	45.978436
"627104"	306.584768	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+2Na"	45.978436
"1131142"	117.521068	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2Na"	45.978436
"1408666"	78.6831373333333	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H+2Na"	46.985712
"1437502"	236.076446	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H+HCOOH"	47.012746
"223918"	217.08594	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+3H2O+2H"	56.04448
"1511978"	250.12849	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+IsoProp+H"	61.06479
"411663"	220.039888	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+Na+K"	61.952376
"773753"	314.571738	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+Na+K"	61.952376
"1668992"	125.508038	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Na+K"	61.952376
"252231"	442.143168	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+ACN+Na"	64.015768
"1234783"	253.079468	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+ACN+Na"	64.015768
"1716013"	253.102993	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+NH4+HCOOH"	64.039293
"1181366"	86.0104513333333	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+3Na"	68.967654
"1653446"	258.058388	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Na+HCOOH"	68.994688
"161400"	455.04644	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+2K-H"	76.91904
"600961"	644.11014	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+2K-H"	76.91904
"1088754"	265.98274	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2K-H"	76.91904
"146665"	228.026858	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"2M+2K"	77.926316
"585132"	322.558708	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"3M+2K"	77.926316
"1070742"	133.495008	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2K"	77.926316
"1101763"	267.997292	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2K+H"	78.933592
"1340335"	268.084907	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+DMSO+H"	79.021207
"1007042"	272.124076	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2ACN+H"	83.060376
"1526138"	273.117708	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+IsoProp+Na+H"	84.054008
"991614"	136.565676	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+2ACN+2H"	84.067652
"1587331"	274.032328	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+K+HCOOH"	84.968628
"1415791"	304.063838	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+H+CF3COOH"	115.000138
"1147206"	157.078951	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+3ACN+2H"	125.094202
"1702192"	321.090385	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+NH4+CF3COOH"	132.026685
"1641124"	326.04578	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+Na+CF3COOH"	136.98208
"1573495"	342.01972	"C12109"	"AminoDHQ;5-Deoxy-5-amino-3-dehydroquinic acid"	"C7H11NO5"	"189.0637"	"M+K+CF3COOH"	152.95602
"815411"	139.0633	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M"	0
"988337"	120.04491	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-H2O-H"	-19.01839
"71112"	91.7015906666667	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M-3H"	-3.021828
"506301"	138.056024	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M-3H"	-3.021828
"889571"	45.3471573333333	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-3H"	-3.021828
"1581"	138.056024	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M-2H"	-2.014552
"440250"	207.587674	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M-2H"	-2.014552
"818943"	68.524374	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-2H"	-2.014552
"80029"	277.119324	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M-H"	-1.007276
"519710"	416.182624	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M-H"	-1.007276
"897511"	138.056024	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-H"	-1.007276
"49579"	294.145871	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M-2H+NH4"	16.019271
"487678"	433.209171	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M-2H+NH4"	16.019271
"869129"	155.082571	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-2H+NH4"	16.019271
"33752"	299.101266	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M-2H+Na"	20.974666
"474405"	438.164566	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M-2H+Na"	20.974666
"851114"	160.037966	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-2H+Na"	20.974666
"1629031"	160.037966	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Na-2H"	20.974666
"105560"	156.044363	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M-H+Cl"	33.962126
"541117"	225.576013	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M-H+Cl"	33.962126
"939010"	86.512713	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-H+Cl"	33.962126
"269548"	313.096002	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+Cl"	34.969402
"662699"	452.159302	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+Cl"	34.969402
"1275833"	174.032702	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Cl"	34.969402
"17535"	315.075206	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M-2H+K"	36.948606
"458673"	454.138506	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M-2H+K"	36.948606
"835019"	176.011906	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-2H+K"	36.948606
"1557776"	176.011906	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+K-2H"	36.948606
"944567"	184.061494	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-H+HCOOH"	44.998194
"362780"	323.124801	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+HCOOH-H"	44.998201
"346056"	337.140451	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+Hac-H"	59.013851
"1495866"	198.077151	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Hac-H"	59.013851
"967786"	206.043451	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-H+NaCOOH"	66.980151
"111227"	174.032702	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+2Cl"	69.938804
"561358"	243.564352	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+2Cl"	69.938804
"1025053"	104.501052	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2Cl"	69.938804
"1245725"	217.982185	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Br"	78.918885
"1312547"	220.038172	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Cl+HCOOH"	80.974872
"1332231"	242.020129	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Cl+NaCOOH"	102.956829
"921104"	252.048886	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M-H+CF3COOH"	112.985586
"1294532"	288.025564	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Cl+CF3COOH"	148.962264
"1375973"	104.050624	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H-2H2O"	-35.012676
"1391285"	122.0606	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H-H2O"	-17.0027
"296438"	279.133876	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+H"	1.007276
"684484"	418.197176	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+H"	1.007276
"1356462"	140.070576	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H"	1.007276
"130445"	140.070576	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+2H"	2.014552
"578752"	209.602226	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+2H"	2.014552
"1052211"	70.538926	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2H"	2.014552
"218733"	93.7161426666667	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+3H"	3.021828
"658295"	140.070576	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+3H"	3.021828
"1172046"	47.3617093333333	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+3H"	3.021828
"437504"	296.160423	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+NH4"	18.033823
"799593"	435.223723	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+NH4"	18.033823
"1692644"	157.097123	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+NH4"	18.033823
"339830"	148.5838495	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+H+NH4"	19.041099
"733346"	218.1154995	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+H+NH4"	19.041099
"1483886"	79.0521995	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H+NH4"	19.041099
"401472"	301.115818	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+Na"	22.989218
"761373"	440.179118	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+Na"	22.989218
"1612751"	162.052518	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Na"	22.989218
"328256"	151.061547	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+H+Na"	23.996494
"717397"	220.593197	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+H+Na"	23.996494
"1466845"	81.529897	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H+Na"	23.996494
"1057904"	54.6890233333333	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2H+Na"	25.00377
"1266142"	172.096786	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+CH3OH+H"	33.033486
"381439"	317.089758	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+K"	38.963158
"739398"	456.153058	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+K"	38.963158
"1545583"	178.026458	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+K"	38.963158
"300573"	159.048517	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+H+K"	39.970434
"696270"	228.580167	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+H+K"	39.970434
"1449002"	89.516867	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H+K"	39.970434
"246365"	320.160426	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+ACN+H"	42.033826
"1222356"	181.097126	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+ACN+H"	42.033826
"1204781"	91.052201	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+ACN+2H"	43.041102
"200566"	323.09776	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+2Na-H"	44.97116
"640858"	462.16106	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+2Na-H"	44.97116
"1146068"	184.03446	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2Na-H"	44.97116
"184372"	162.052518	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+2Na"	45.978436
"627215"	231.584168	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+2Na"	45.978436
"1129266"	92.520868	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2Na"	45.978436
"1408776"	62.0163373333333	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H+2Na"	46.985712
"1439799"	186.076046	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H+HCOOH"	47.012746
"225121"	167.08554	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+3H2O+2H"	56.04448
"1513181"	200.12809	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+IsoProp+H"	61.06479
"412866"	170.039488	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+Na+K"	61.952376
"772769"	239.571138	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+Na+K"	61.952376
"1669102"	100.507838	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Na+K"	61.952376
"254528"	342.142368	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+ACN+Na"	64.015768
"1235985"	203.079068	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+ACN+Na"	64.015768
"1716123"	203.102593	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+NH4+HCOOH"	64.039293
"1183660"	69.3436513333333	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+3Na"	68.967654
"1656836"	208.057988	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Na+HCOOH"	68.994688
"162603"	355.04564	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+2K-H"	76.91904
"605443"	494.10894	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+2K-H"	76.91904
"1096154"	215.98234	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2K-H"	76.91904
"147867"	178.026458	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"2M+2K"	77.926316
"589615"	247.558108	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"3M+2K"	77.926316
"1070240"	108.494808	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2K"	77.926316
"1104058"	217.996892	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2K+H"	78.933592
"1340443"	218.084507	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+DMSO+H"	79.021207
"1007880"	222.123676	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2ACN+H"	83.060376
"1527097"	223.117308	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+IsoProp+Na+H"	84.054008
"991480"	111.565476	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+2ACN+2H"	84.067652
"1588413"	224.031928	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+K+HCOOH"	84.968628
"1415171"	254.063438	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+H+CF3COOH"	115.000138
"1147439"	132.078751	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+3ACN+2H"	125.094202
"1701209"	271.089985	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+NH4+CF3COOH"	132.026685
"1640141"	276.04538	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+Na+CF3COOH"	136.98208
"1573604"	292.01932	"C12110"	"Gabaculine;3-Amino-23-dihydrobenzoic acid"	"C7H9NO2"	"139.0633"	"M+K+CF3COOH"	152.95602
"815642"	550.2679	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M"	0
"989680"	531.24951	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-H2O-H"	-19.01839
"71224"	365.837990666667	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M-3H"	-3.021828
"506411"	549.260624	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M-3H"	-3.021828
"886400"	182.415357333333	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-3H"	-3.021828
"3879"	549.260624	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M-2H"	-2.014552
"446719"	824.394574	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M-2H"	-2.014552
"822333"	274.126674	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-2H"	-2.014552
"85606"	1099.528524	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M-H"	-1.007276
"522980"	1649.796424	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M-H"	-1.007276
"898596"	549.260624	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-H"	-1.007276
"50782"	1116.555071	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M-2H+NH4"	16.019271
"493624"	1666.822971	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M-2H+NH4"	16.019271
"869241"	566.287171	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-2H+NH4"	16.019271
"38237"	1121.510466	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M-2H+Na"	20.974666
"476703"	1671.778366	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M-2H+Na"	20.974666
"856692"	571.242566	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-2H+Na"	20.974666
"1630235"	571.242566	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Na-2H"	20.974666
"106764"	567.248963	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M-H+Cl"	33.962126
"544507"	842.382913	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M-H+Cl"	33.962126
"938028"	292.115013	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-H+Cl"	33.962126
"271118"	1135.505202	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+Cl"	34.969402
"664633"	1685.773102	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+Cl"	34.969402
"1280318"	585.237302	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Cl"	34.969402
"20685"	1137.484406	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M-2H+K"	36.948606
"458420"	1687.752306	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M-2H+K"	36.948606
"834766"	587.216506	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-2H+K"	36.948606
"1556792"	587.216506	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+K-2H"	36.948606
"946136"	595.266094	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-H+HCOOH"	44.998194
"361637"	1145.534001	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+HCOOH-H"	44.998201
"345803"	1159.549651	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+Hac-H"	59.013851
"1493790"	609.281751	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Hac-H"	59.013851
"970084"	617.248051	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-H+NaCOOH"	66.980151
"116804"	585.237302	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+2Cl"	69.938804
"561468"	860.371252	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+2Cl"	69.938804
"1027351"	310.103352	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2Cl"	69.938804
"1248022"	629.186785	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Br"	78.918885
"1318124"	631.242772	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Cl+HCOOH"	80.974872
"1333435"	653.224729	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Cl+NaCOOH"	102.956829
"922306"	663.253486	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M-H+CF3COOH"	112.985586
"1301933"	699.230164	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Cl+CF3COOH"	148.962264
"1379365"	515.255224	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H-2H2O"	-35.012676
"1393580"	533.2652	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H-H2O"	-17.0027
"295456"	1101.543076	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+H"	1.007276
"684596"	1651.810976	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+H"	1.007276
"1364226"	551.275176	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H"	1.007276
"139668"	551.275176	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+2H"	2.014552
"579957"	826.409126	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+2H"	2.014552
"1050942"	276.141226	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2H"	2.014552
"218118"	367.852542666667	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+3H"	3.021828
"657677"	551.275176	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+3H"	3.021828
"1171063"	184.429909333333	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+3H"	3.021828
"436886"	1118.569623	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+NH4"	18.033823
"797518"	1668.837523	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+NH4"	18.033823
"1692756"	568.301723	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+NH4"	18.033823
"339940"	559.7884495	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+H+NH4"	19.041099
"732363"	834.9223995	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+H+NH4"	19.041099
"1487277"	284.6544995	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H+NH4"	19.041099
"402677"	1123.525018	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+Na"	22.989218
"767680"	1673.792918	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+Na"	22.989218
"1612861"	573.257118	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Na"	22.989218
"327272"	562.266147	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+H+Na"	23.996494
"716414"	837.400097	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+H+Na"	23.996494
"1466954"	287.132197	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H+Na"	23.996494
"1060199"	191.757223333333	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2H+Na"	25.00377
"1261880"	583.301386	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+CH3OH+H"	33.033486
"384829"	1139.498958	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+K"	38.963158
"742547"	1689.766858	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+K"	38.963158
"1552254"	589.231058	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+K"	38.963158
"306150"	570.253117	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+H+K"	39.970434
"699662"	845.387067	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+H+K"	39.970434
"1450206"	295.119167	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H+K"	39.970434
"242100"	1142.569626	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+ACN+H"	42.033826
"1222830"	592.301726	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+ACN+H"	42.033826
"1205984"	296.654501	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+ACN+2H"	43.041102
"199947"	1145.50696	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+2Na-H"	44.97116
"641332"	1695.77486	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+2Na-H"	44.97116
"1146058"	595.23906	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2Na-H"	44.97116
"186670"	573.257118	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+2Na"	45.978436
"626231"	848.391068	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+2Na"	45.978436
"1130106"	298.123168	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2Na"	45.978436
"1410713"	199.084537333333	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H+2Na"	46.985712
"1439910"	597.280646	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H+HCOOH"	47.012746
"224138"	578.29014	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+3H2O+2H"	56.04448
"1515479"	611.33269	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+IsoProp+H"	61.06479
"414069"	581.244088	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+Na+K"	61.952376
"778347"	856.378038	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+Na+K"	61.952376
"1669210"	306.110138	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Na+K"	61.952376
"259012"	1164.551568	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+ACN+Na"	64.015768
"1231722"	614.283668	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+ACN+Na"	64.015768
"1718420"	614.307193	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+NH4+HCOOH"	64.039293
"1184867"	206.411851333333	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+3Na"	68.967654
"1655852"	619.262588	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Na+HCOOH"	68.994688
"162713"	1177.45484	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+2K-H"	76.91904
"605556"	1727.72274	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+2K-H"	76.91904
"1092255"	627.18694	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2K-H"	76.91904
"144701"	589.231058	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"2M+2K"	77.926316
"588632"	864.365008	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"3M+2K"	77.926316
"1069990"	314.097108	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2K"	77.926316
"1103077"	629.201492	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2K+H"	78.933592
"1340556"	629.289107	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+DMSO+H"	79.021207
"1011275"	633.328276	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2ACN+H"	83.060376
"1528306"	634.321908	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+IsoProp+Na+H"	84.054008
"991473"	317.167776	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+2ACN+2H"	84.067652
"1588528"	635.236528	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+K+HCOOH"	84.968628
"1416012"	665.268038	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+H+CF3COOH"	115.000138
"1156141"	337.681051	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+3ACN+2H"	125.094202
"1703506"	682.294585	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+NH4+CF3COOH"	132.026685
"1643533"	687.24998	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+Na+CF3COOH"	136.98208
"1578090"	703.22392	"C12111"	"Manumycin A;Manumycin"	"C31H38N2O7"	"550.2679"	"M+K+CF3COOH"	152.95602
"816119"	497.2108	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M"	0
"988558"	478.19241	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-H2O-H"	-19.01839
"76802"	330.466590666667	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M-3H"	-3.021828
"513083"	496.203524	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M-3H"	-3.021828
"886512"	164.729657333333	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-3H"	-3.021828
"8365"	496.203524	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M-2H"	-2.014552
"447926"	744.808924	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M-2H"	-2.014552
"825727"	247.598124	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-2H"	-2.014552
"84626"	993.414324	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M-H"	-1.007276
"526371"	1490.625124	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M-H"	-1.007276
"906362"	496.203524	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-H"	-1.007276
"61102"	1010.440871	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M-2H+NH4"	16.019271
"498109"	1507.651671	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M-2H+NH4"	16.019271
"877006"	513.230071	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-2H+NH4"	16.019271
"47007"	1015.396266	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M-2H+Na"	20.974666
"485562"	1512.607066	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M-2H+Na"	20.974666
"860083"	518.185466	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-2H+Na"	20.974666
"1631803"	518.185466	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Na-2H"	20.974666
"107968"	514.191863	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M-H+Cl"	33.962126
"541333"	762.797263	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M-H+Cl"	33.962126
"932664"	265.586463	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-H+Cl"	33.962126
"274508"	1029.391002	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+Cl"	34.969402
"668024"	1526.601802	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+Cl"	34.969402
"1285897"	532.180202	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Cl"	34.969402
"21890"	1031.370206	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M-2H+K"	36.948606
"461446"	1528.581006	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M-2H+K"	36.948606
"835970"	534.159406	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-2H+K"	36.948606
"1561645"	534.159406	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+K-2H"	36.948606
"952809"	542.208994	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-H+HCOOH"	44.998194
"372118"	1039.419801	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+HCOOH-H"	44.998201
"352723"	1053.435451	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+Hac-H"	59.013851
"1501556"	556.224651	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Hac-H"	59.013851
"970193"	564.190951	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-H+NaCOOH"	66.980151
"120195"	532.180202	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+2Cl"	69.938804
"563766"	780.785602	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+2Cl"	69.938804
"1035360"	283.574802	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2Cl"	69.938804
"1248132"	576.129685	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Br"	78.918885
"1316049"	578.185672	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Cl+HCOOH"	80.974872
"1333182"	600.167629	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Cl+NaCOOH"	102.956829
"922784"	610.196386	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M-H+CF3COOH"	112.985586
"1303623"	646.173064	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Cl+CF3COOH"	148.962264
"1378381"	462.198124	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H-2H2O"	-35.012676
"1391505"	480.2081	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H-H2O"	-17.0027
"294471"	995.428876	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+H"	1.007276
"686892"	1492.639676	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+H"	1.007276
"1355588"	498.218076	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H"	1.007276
"135039"	498.218076	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+2H"	2.014552
"578973"	746.823476	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+2H"	2.014552
"1050327"	249.612676	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2H"	2.014552
"217866"	332.481142666667	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+3H"	3.021828
"657791"	498.218076	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+3H"	3.021828
"1174821"	166.744209333333	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+3H"	3.021828
"438458"	1012.455423	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+NH4"	18.033823
"798360"	1509.666223	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+NH4"	18.033823
"1695785"	515.244623	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+NH4"	18.033823
"343698"	506.7313495	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+H+NH4"	19.041099
"733566"	755.3367495	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+H+NH4"	19.041099
"1486294"	258.1259495	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H+NH4"	19.041099
"404246"	1017.410818	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+Na"	22.989218
"765967"	1514.621618	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+Na"	22.989218
"1609693"	520.200018	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Na"	22.989218
"328112"	509.209047	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+H+Na"	23.996494
"718712"	757.814447	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+H+Na"	23.996494
"1471439"	260.603647	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H+Na"	23.996494
"1061402"	174.071523333333	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2H+Na"	25.00377
"1264176"	530.244286	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+CH3OH+H"	33.033486
"384939"	1033.384758	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+K"	38.963158
"748123"	1530.595558	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+K"	38.963158
"1550176"	536.173958	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+K"	38.963158
"310269"	517.196017	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+H+K"	39.970434
"704876"	765.801417	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+H+K"	39.970434
"1451409"	268.590617	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H+K"	39.970434
"242204"	1036.455426	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+ACN+H"	42.033826
"1220385"	539.244626	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+ACN+H"	42.033826
"1206455"	270.125951	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+ACN+2H"	43.041102
"203704"	1039.39276	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+2Na-H"	44.97116
"642536"	1536.60356	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+2Na-H"	44.97116
"1146613"	542.18196	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2Na-H"	44.97116
"187508"	520.200018	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+2Na"	45.978436
"625246"	768.805418	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+2Na"	45.978436
"1130581"	271.594618	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2Na"	45.978436
"1411916"	181.398837333333	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H+2Na"	46.985712
"1443301"	544.223546	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H+HCOOH"	47.012746
"228621"	525.23304	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+3H2O+2H"	56.04448
"1516681"	558.27559	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+IsoProp+H"	61.06479
"416367"	528.186988	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+Na+K"	61.952376
"781737"	776.792388	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+Na+K"	61.952376
"1671506"	279.581588	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Na+K"	61.952376
"260216"	1058.437368	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+ACN+Na"	64.015768
"1236206"	561.226568	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+ACN+Na"	64.015768
"1720717"	561.250093	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+NH4+HCOOH"	64.039293
"1187163"	188.726151333333	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+3Na"	68.967654
"1658147"	566.205488	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Na+HCOOH"	68.994688
"167199"	1071.34064	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+2K-H"	76.91904
"603481"	1568.55144	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+2K-H"	76.91904
"1094553"	574.12984	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2K-H"	76.91904
"145904"	536.173958	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"2M+2K"	77.926316
"590932"	784.779358	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"3M+2K"	77.926316
"1073255"	287.568558	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2K"	77.926316
"1108653"	576.144392	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2K+H"	78.933592
"1341755"	576.232007	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+DMSO+H"	79.021207
"1009193"	580.271176	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2ACN+H"	83.060376
"1529505"	581.264808	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+IsoProp+Na+H"	84.054008
"991578"	290.639226	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+2ACN+2H"	84.067652
"1590457"	582.179428	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+K+HCOOH"	84.968628
"1419398"	612.210938	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+H+CF3COOH"	115.000138
"1156251"	311.152501	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+3ACN+2H"	125.094202
"1701429"	629.237485	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+NH4+CF3COOH"	132.026685
"1645830"	634.19288	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+Na+CF3COOH"	136.98208
"1578200"	650.16682	"C12112"	"Validamycin A;Validacin;Validamycin;Valimon"	"C20H35NO13"	"497.2108"	"M+K+CF3COOH"	152.95602
"814040"	192.0634	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M"	0
"989033"	173.04501	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-H2O-H"	-19.01839
"73631"	127.034990666667	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M-3H"	-3.021828
"512100"	191.056124	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M-3H"	-3.021828
"886622"	63.0138573333333	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-3H"	-3.021828
"10662"	191.056124	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M-2H"	-2.014552
"451316"	287.087824	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M-2H"	-2.014552
"825837"	95.024424	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-2H"	-2.014552
"84736"	383.119524	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M-H"	-1.007276
"527574"	575.182924	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M-H"	-1.007276
"906472"	191.056124	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-H"	-1.007276
"62768"	400.146071	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M-2H+NH4"	16.019271
"497126"	592.209471	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M-2H+NH4"	16.019271
"877116"	208.082671	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-2H+NH4"	16.019271
"47076"	405.101466	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M-2H+Na"	20.974666
"485309"	597.164866	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M-2H+Na"	20.974666
"862016"	213.038066	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-2H+Na"	20.974666
"1631549"	213.038066	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Na-2H"	20.974666
"108078"	209.044463	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M-H+Cl"	33.962126
"542538"	305.076163	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M-H+Cl"	33.962126
"932774"	113.012763	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-H+Cl"	33.962126
"273524"	419.096202	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+Cl"	34.969402
"668134"	611.159602	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+Cl"	34.969402
"1278349"	227.032802	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Cl"	34.969402
"26376"	421.075406	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M-2H+K"	36.948606
"459003"	613.138806	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M-2H+K"	36.948606
"834986"	229.012006	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-2H+K"	36.948606
"1561755"	229.012006	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+K-2H"	36.948606
"949639"	237.061594	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-H+HCOOH"	44.998194
"366762"	429.125001	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+HCOOH-H"	44.998201
"350648"	443.140651	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+Hac-H"	59.013851
"1501667"	251.077251	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Hac-H"	59.013851
"971032"	259.043551	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-H+NaCOOH"	66.980151
"118118"	227.032802	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+2Cl"	69.938804
"563146"	323.064502	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+2Cl"	69.938804
"1033038"	131.001102	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2Cl"	69.938804
"1250429"	270.982285	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Br"	78.918885
"1313971"	273.038272	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Cl+HCOOH"	80.974872
"1334996"	295.020229	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Cl+NaCOOH"	102.956829
"924351"	305.048986	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M-H+CF3COOH"	112.985586
"1303616"	341.025664	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Cl+CF3COOH"	148.962264
"1379585"	157.050724	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H-2H2O"	-35.012676
"1392708"	175.0607	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H-H2O"	-17.0027
"293487"	385.134076	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+H"	1.007276
"688096"	577.197476	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+H"	1.007276
"1354605"	193.070676	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H"	1.007276
"136243"	193.070676	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+2H"	2.014552
"579328"	289.102376	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+2H"	2.014552
"1050922"	97.038976	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2H"	2.014552
"217249"	129.049542666667	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+3H"	3.021828
"657900"	193.070676	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+3H"	3.021828
"1175660"	65.0284093333333	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+3H"	3.021828
"438082"	402.160623	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+NH4"	18.033823
"799198"	594.224023	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+NH4"	18.033823
"1693709"	210.097223	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+NH4"	18.033823
"340163"	201.5839495	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+H+NH4"	19.041099
"732583"	297.6156495	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+H+NH4"	19.041099
"1486403"	105.5522495	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H+NH4"	19.041099
"403989"	407.116018	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+Na"	22.989218
"762797"	599.179418	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+Na"	22.989218
"1607615"	215.052618	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Na"	22.989218
"326036"	204.061647	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+H+Na"	23.996494
"714449"	300.093347	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+H+Na"	23.996494
"1469362"	108.029947	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H+Na"	23.996494
"1057139"	72.3557233333333	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2H+Na"	25.00377
"1264284"	225.096886	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+CH3OH+H"	33.033486
"381768"	423.089958	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+K"	38.963158
"742765"	615.153358	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+K"	38.963158
"1544819"	231.026558	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+K"	38.963158
"304181"	212.048617	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+H+K"	39.970434
"699883"	308.080317	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+H+K"	39.970434
"1451520"	116.016917	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H+K"	39.970434
"243407"	426.160626	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+ACN+H"	42.033826
"1218305"	234.097226	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+ACN+H"	42.033826
"1205472"	117.552251	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+ACN+2H"	43.041102
"200898"	429.09796	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+2Na-H"	44.97116
"641916"	621.16136	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+2Na-H"	44.97116
"1144694"	237.03456	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2Na-H"	44.97116
"184702"	215.052618	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+2Na"	45.978436
"622076"	311.084318	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+2Na"	45.978436
"1131138"	119.020918	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2Na"	45.978436
"1413118"	79.6830373333333	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H+2Na"	46.985712
"1443410"	239.076146	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H+HCOOH"	47.012746
"226545"	220.08564	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+3H2O+2H"	56.04448
"1518977"	253.12819	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+IsoProp+H"	61.06479
"414655"	223.039588	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+Na+K"	61.952376
"782940"	319.071288	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+Na+K"	61.952376
"1674899"	127.007888	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Na+K"	61.952376
"258140"	448.142568	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+ACN+Na"	64.015768
"1235223"	256.079168	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+ACN+Na"	64.015768
"1720826"	256.102693	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+NH4+HCOOH"	64.039293
"1185089"	87.0103513333333	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+3Na"	68.967654
"1658257"	261.058088	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Na+HCOOH"	68.994688
"165123"	461.04584	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+2K-H"	76.91904
"605778"	653.10924	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+2K-H"	76.91904
"1093568"	268.98244	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2K-H"	76.91904
"147107"	231.026558	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"2M+2K"	77.926316
"589949"	327.058258	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"3M+2K"	77.926316
"1071543"	134.994858	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2K"	77.926316
"1106576"	270.996992	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2K+H"	78.933592
"1340772"	271.084607	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+DMSO+H"	79.021207
"1009303"	275.123776	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2ACN+H"	83.060376
"1528521"	276.117408	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+IsoProp+Na+H"	84.054008
"990350"	138.065526	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+2ACN+2H"	84.067652
"1589474"	277.032028	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+K+HCOOH"	84.968628
"1417322"	307.063538	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+H+CF3COOH"	115.000138
"1156361"	158.578801	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+3ACN+2H"	125.094202
"1701539"	324.090085	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+NH4+CF3COOH"	132.026685
"1644847"	329.04548	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+Na+CF3COOH"	136.98208
"1578310"	345.01942	"C12113"	"Valiolone"	"C7H12O6"	"192.0634"	"M+K+CF3COOH"	152.95602
"815972"	166.0378	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M"	0
"988414"	147.01941	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-H2O-H"	-19.01839
"77021"	109.684590666667	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M-3H"	-3.021828
"515490"	165.030524	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M-3H"	-3.021828
"892198"	54.3386573333333	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-3H"	-3.021828
"14784"	165.030524	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M-2H"	-2.014552
"454345"	248.049424	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M-2H"	-2.014552
"830323"	82.011624	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-2H"	-2.014552
"92502"	331.068324	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M-H"	-1.007276
"531696"	497.106124	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M-H"	-1.007276
"910962"	165.030524	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-H"	-1.007276
"62300"	348.094871	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M-2H+NH4"	16.019271
"498329"	514.132671	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M-2H+NH4"	16.019271
"878687"	182.057071	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-2H+NH4"	16.019271
"46472"	353.050266	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M-2H+Na"	20.974666
"485057"	519.088066	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M-2H+Na"	20.974666
"860305"	187.012466	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-2H+Na"	20.974666
"1626557"	187.012466	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Na-2H"	20.974666
"108190"	183.018863	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M-H+Cl"	33.962126
"538637"	266.037763	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M-H+Cl"	33.962126
"939449"	99.999963	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-H+Cl"	33.962126
"278010"	367.045002	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+Cl"	34.969402
"664963"	533.082802	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+Cl"	34.969402
"1279549"	201.007202	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Cl"	34.969402
"19921"	369.024206	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M-2H+K"	36.948606
"461665"	535.062006	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M-2H+K"	36.948606
"838379"	202.986406	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-2H+K"	36.948606
"1558951"	202.986406	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+K-2H"	36.948606
"946467"	211.035994	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-H+HCOOH"	44.998194
"363590"	377.073801	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+HCOOH-H"	44.998201
"346744"	391.089451	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+Hac-H"	59.013851
"1495218"	225.051651	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Hac-H"	59.013851
"970050"	233.017951	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-H+NaCOOH"	66.980151
"119323"	201.007202	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+2Cl"	69.938804
"563257"	284.026102	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+2Cl"	69.938804
"1030964"	117.988302	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2Cl"	69.938804
"1252726"	244.956685	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Br"	78.918885
"1316267"	247.012672	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Cl+HCOOH"	80.974872
"1333768"	268.994629	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Cl+NaCOOH"	102.956829
"924462"	279.023386	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M-H+CF3COOH"	112.985586
"1303721"	315.000064	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Cl+CF3COOH"	148.962264
"1378604"	131.025124	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H-2H2O"	-35.012676
"1396099"	149.0351	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H-H2O"	-17.0027
"293598"	333.082876	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+H"	1.007276
"687116"	499.120676	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+H"	1.007276
"1354716"	167.045076	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H"	1.007276
"131979"	167.045076	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+2H"	2.014552
"574819"	250.063976	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+2H"	2.014552
"1049085"	84.026176	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2H"	2.014552
"212616"	111.699142666667	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+3H"	3.021828
"651084"	167.045076	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+3H"	3.021828
"1174673"	56.3532093333333	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+3H"	3.021828
"434668"	350.109423	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+NH4"	18.033823
"797488"	516.147223	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+NH4"	18.033823
"1685429"	184.071623	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+NH4"	18.033823
"338085"	175.5583495	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+H+NH4"	19.041099
"732328"	258.5772495	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+H+NH4"	19.041099
"1486513"	92.5394495	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H+NH4"	19.041099
"401550"	355.064818	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+Na"	22.989218
"761814"	521.102618	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+Na"	22.989218
"1607725"	189.027018	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Na"	22.989218
"317764"	178.036047	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+H+Na"	23.996494
"710185"	261.054947	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+H+Na"	23.996494
"1467284"	95.017147	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H+Na"	23.996494
"1057613"	63.6805233333333	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2H+Na"	25.00377
"1261117"	199.071286	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+CH3OH+H"	33.033486
"384067"	371.038758	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+K"	38.963158
"743969"	537.076558	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+K"	38.963158
"1547116"	205.000958	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+K"	38.963158
"308666"	186.023017	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+H+K"	39.970434
"697805"	269.041917	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+H+K"	39.970434
"1453816"	103.004117	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H+K"	39.970434
"243518"	374.109426	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+ACN+H"	42.033826
"1217322"	208.071626	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+ACN+H"	42.033826
"1206676"	104.539451	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+ACN+2H"	43.041102
"201737"	377.04676	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+2Na-H"	44.97116
"641662"	543.08456	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+2Na-H"	44.97116
"1144804"	211.00896	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2Na-H"	44.97116
"184812"	189.027018	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+2Na"	45.978436
"625466"	272.045918	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+2Na"	45.978436
"1129709"	106.008118	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2Na"	45.978436
"1412987"	71.0078373333333	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H+2Na"	46.985712
"1442792"	213.050546	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H+HCOOH"	47.012746
"227748"	194.06004	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+3H2O+2H"	56.04448
"1519090"	227.10259	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+IsoProp+H"	61.06479
"416590"	197.013988	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+Na+K"	61.952376
"777588"	280.032888	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+Na+K"	61.952376
"1676836"	113.995088	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Na+K"	61.952376
"261530"	396.091368	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+ACN+Na"	64.015768
"1235334"	230.053568	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+ACN+Na"	64.015768
"1722029"	230.077093	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+NH4+HCOOH"	64.039293
"1184831"	78.3351513333333	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+3Na"	68.967654
"1657641"	235.032488	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Na+HCOOH"	68.994688
"163045"	408.99464	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+2K-H"	76.91904
"599692"	575.03244	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+2K-H"	76.91904
"1088216"	242.95684	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2K-H"	76.91904
"145029"	205.000958	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"2M+2K"	77.926316
"583500"	288.019858	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"3M+2K"	77.926316
"1073476"	121.982058	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2K"	77.926316
"1104500"	244.971392	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2K+H"	78.933592
"1339790"	245.059007	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+DMSO+H"	79.021207
"1010508"	249.098176	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2ACN+H"	83.060376
"1529727"	250.091808	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+IsoProp+Na+H"	84.054008
"997268"	125.052726	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+2ACN+2H"	84.067652
"1591773"	251.006428	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+K+HCOOH"	84.968628
"1419622"	281.037938	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+H+CF3COOH"	115.000138
"1155378"	145.566001	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+3ACN+2H"	125.094202
"1698367"	298.064485	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+NH4+CF3COOH"	132.026685
"1646050"	303.01988	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+Na+CF3COOH"	136.98208
"1578420"	318.99382	"C12114"	"4-Hydroxy-3-nitrosobenzamide"	"C7H6N2O3"	"166.0378"	"M+K+CF3COOH"	152.95602
"814989"	153.0426	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M"	0
"989783"	134.02421	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"78104"	101.021124	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"517785"	152.035324	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"890122"	50.006924	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"13069"	152.035324	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"454457"	228.556624	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"831405"	75.514024	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"92490"	305.077924	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"528890"	458.120524	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"910711"	152.035324	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"61798"	322.104471	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"498439"	475.147071	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"877336"	169.061871	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"45971"	327.059866	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"484801"	480.102466	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"860415"	174.017266	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1626667"	174.017266	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"106475"	170.023663	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"539841"	246.544963	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"931171"	93.502363	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"274840"	341.054602	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"666167"	494.097202	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1278566"	188.012002	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"20031"	343.033806	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"459590"	496.076406	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"833501"	189.991206	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1555647"	189.991206	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"943540"	198.040794	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"362727"	351.083401	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"346125"	365.099051	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1496420"	212.056451	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"971253"	220.022751	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"117246"	188.012002	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"564705"	264.533302	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1032168"	111.490702	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1245181"	231.961485	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1315285"	234.017472	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1332784"	255.999429	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"922750"	266.028186	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1303593"	302.004864	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1379807"	118.029924	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1398033"	136.0399	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"293708"	307.092476	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"687225"	460.135076	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1353368"	154.049876	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"130266"	154.049876	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"573836"	230.571176	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1050289"	77.528576	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"213452"	103.035676	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"650828"	154.049876	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1174784"	52.021476	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"437694"	324.119023	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"797962"	477.161623	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1691009"	171.076423	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"340381"	162.5631495	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"734989"	239.0844495	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1486623"	86.0418495	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"402022"	329.074418	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"760831"	482.117018	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1610022"	176.031818	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"320062"	165.040847	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"711391"	241.562147	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1465209"	88.519547	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1058451"	59.34879	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1263414"	186.076086	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"385270"	345.048358	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"744079"	498.090958	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1552694"	192.005758	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"307684"	173.027817	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"697915"	249.549117	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1453926"	96.506517	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"240341"	348.119026	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1215246"	195.076426	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1207879"	98.041851	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"200389"	351.05636	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"640679"	504.09896	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1143456"	198.01376	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"186626"	176.031818	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"624848"	252.553118	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1130058"	99.510518	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1412857"	66.676104	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1443752"	200.055346	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"234787"	181.06484	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1515919"	214.10739	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"418883"	184.018788	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"782797"	260.540088	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1676215"	107.497488	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"259454"	370.100968	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1234351"	217.058368	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1721046"	217.081893	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1186036"	74.003418	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1657751"	222.037288	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"163157"	383.00424	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"599804"	536.04684	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1087597"	229.96164	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"143318"	192.005758	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"585796"	268.527058	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1074679"	115.484458	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1104610"	231.976192	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1339901"	232.063807	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1010619"	236.102976	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1528744"	237.096608	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"995192"	118.555126	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1591884"	238.011228	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1419732"	268.042738	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1153301"	139.068401	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1699570"	285.069285	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1647253"	290.02468	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1578530"	305.99862	"C12115"	"3-Amino-4-hydroxybenzoate;3-Amino-4-hydroxybenzoic acid;34-AHBA"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"816436"	518.159	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M"	0
"988267"	499.14061	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-H2O-H"	-19.01839
"77931"	344.432057333333	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M-3H"	-3.021828
"517167"	517.151724	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M-3H"	-3.021828
"888045"	171.712390666667	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-3H"	-3.021828
"13179"	517.151724	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M-2H"	-2.014552
"451650"	776.231224	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M-2H"	-2.014552
"829450"	258.072224	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-2H"	-2.014552
"93087"	1035.310724	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M-H"	-1.007276
"529000"	1553.469724	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M-H"	-1.007276
"908748"	517.151724	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-H"	-1.007276
"61056"	1052.337271	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M-2H+NH4"	16.019271
"498549"	1570.496271	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M-2H+NH4"	16.019271
"874166"	534.178271	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-2H+NH4"	16.019271
"42069"	1057.292666	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M-2H+Na"	20.974666
"479441"	1575.451666	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M-2H+Na"	20.974666
"860523"	539.133666	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-2H+Na"	20.974666
"1624590"	539.133666	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Na-2H"	20.974666
"106220"	535.140063	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M-H+Cl"	33.962126
"542138"	794.219563	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M-H+Cl"	33.962126
"931645"	276.060563	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-H+Cl"	33.962126
"272762"	1071.287402	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+Cl"	34.969402
"664090"	1589.446402	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+Cl"	34.969402
"1278675"	553.128402	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Cl"	34.969402
"22327"	1073.266606	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M-2H+K"	36.948606
"456783"	1591.425606	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M-2H+K"	36.948606
"833057"	555.107606	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-2H+K"	36.948606
"1557710"	555.107606	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+K-2H"	36.948606
"943771"	563.157194	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-H+HCOOH"	44.998194
"364902"	1081.316201	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+HCOOH-H"	44.998201
"346112"	1095.331851	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+Hac-H"	59.013851
"1495438"	577.172851	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Hac-H"	59.013851
"964073"	585.139151	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-H+NaCOOH"	66.980151
"117356"	553.128402	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+2Cl"	69.938804
"563476"	812.207902	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+2Cl"	69.938804
"1027903"	294.048902	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2Cl"	69.938804
"1244197"	597.077885	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Br"	78.918885
"1314301"	599.133872	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Cl+HCOOH"	80.974872
"1326334"	621.115829	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Cl+NaCOOH"	102.956829
"921766"	631.144586	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M-H+CF3COOH"	112.985586
"1297380"	667.121264	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Cl+CF3COOH"	148.962264
"1377729"	483.146324	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H-2H2O"	-35.012676
"1397048"	501.1563	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H-H2O"	-17.0027
"292725"	1037.325276	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+H"	1.007276
"685148"	1555.484276	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+H"	1.007276
"1351775"	519.166276	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H"	1.007276
"126732"	519.166276	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+2H"	2.014552
"570663"	778.245776	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+2H"	2.014552
"1048212"	260.086776	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2H"	2.014552
"217208"	346.446609333333	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+3H"	3.021828
"651303"	519.166276	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+3H"	3.021828
"1171616"	173.726942666667	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+3H"	3.021828
"437075"	1054.351823	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+NH4"	18.033823
"798068"	1572.510823	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+NH4"	18.033823
"1695493"	536.192823	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+NH4"	18.033823
"340492"	527.6795495	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+H+NH4"	19.041099
"734007"	786.7590495	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+H+NH4"	19.041099
"1486734"	268.6000495	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H+NH4"	19.041099
"399946"	1059.307218	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+Na"	22.989218
"759849"	1577.466218	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+Na"	22.989218
"1606853"	541.148218	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Na"	22.989218
"320172"	530.157247	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+H+Na"	23.996494
"712595"	789.236747	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+H+Na"	23.996494
"1465319"	271.077747	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H+Na"	23.996494
"1059654"	181.054256666667	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2H+Na"	25.00377
"1263524"	551.192486	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+CH3OH+H"	33.033486
"387566"	1075.281158	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+K"	38.963158
"744189"	1593.440158	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+K"	38.963158
"1551710"	557.122158	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+K"	38.963158
"308887"	538.144217	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+H+K"	39.970434
"698025"	797.223717	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+H+K"	39.970434
"1454036"	279.064717	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H+K"	39.970434
"240452"	1078.351826	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+ACN+H"	42.033826
"1213531"	560.192826	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+ACN+H"	42.033826
"1207989"	280.600051	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+ACN+2H"	43.041102
"202198"	1081.28916	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+2Na-H"	44.97116
"641882"	1599.44816	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+2Na-H"	44.97116
"1143566"	563.13016	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2Na-H"	44.97116
"185885"	541.148218	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+2Na"	45.978436
"624958"	800.227718	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+2Na"	45.978436
"1130654"	282.068718	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2Na"	45.978436
"1412966"	188.381570666667	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H+2Na"	46.985712
"1443374"	565.171746	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H+HCOOH"	47.012746
"234773"	546.18124	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+3H2O+2H"	56.04448
"1514935"	579.22379	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+IsoProp+H"	61.06479
"417900"	549.135188	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+Na+K"	61.952376
"783879"	808.214688	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+Na+K"	61.952376
"1676324"	290.055688	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Na+K"	61.952376
"259564"	1100.333768	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+ACN+Na"	64.015768
"1235554"	582.174768	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+ACN+Na"	64.015768
"1719335"	582.198293	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+NH4+HCOOH"	64.039293
"1185419"	195.708884666667	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+3Na"	68.967654
"1657131"	587.153688	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Na+HCOOH"	68.994688
"164359"	1113.23704	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+2K-H"	76.91904
"599184"	1631.39604	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+2K-H"	76.91904
"1088434"	595.07804	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2K-H"	76.91904
"142336"	557.122158	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"2M+2K"	77.926316
"583719"	816.201658	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"3M+2K"	77.926316
"1074788"	298.042658	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2K"	77.926316
"1104720"	597.092592	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2K+H"	78.933592
"1342198"	597.180207	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+DMSO+H"	79.021207
"1011821"	601.219376	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2ACN+H"	83.060376
"1528854"	602.213008	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+IsoProp+Na+H"	84.054008
"994207"	301.113326	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+2ACN+2H"	84.067652
"1593087"	603.127628	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+K+HCOOH"	84.968628
"1416559"	633.159138	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+H+CF3COOH"	115.000138
"1155598"	321.626601	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+3ACN+2H"	125.094202
"1700773"	650.185685	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+NH4+CF3COOH"	132.026685
"1647363"	655.14108	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+Na+CF3COOH"	136.98208
"1578640"	671.11502	"C12116"	"Esmeraldic acid"	"C30H22N4O5"	"518.159"	"M+K+CF3COOH"	152.95602
"815939"	268.0848	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M"	0
"988012"	249.06641	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-H2O-H"	-19.01839
"78353"	177.715924	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M-3H"	-3.021828
"518128"	267.077524	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M-3H"	-3.021828
"890342"	88.354324	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-3H"	-3.021828
"13289"	267.077524	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M-2H"	-2.014552
"453704"	401.119924	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M-2H"	-2.014552
"830653"	133.035124	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-2H"	-2.014552
"91738"	535.162324	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M-H"	-1.007276
"529110"	803.247124	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M-H"	-1.007276
"906913"	267.077524	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-H"	-1.007276
"60194"	552.188871	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M-2H+NH4"	16.019271
"498659"	820.273671	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M-2H+NH4"	16.019271
"870996"	284.104071	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-2H+NH4"	16.019271
"38899"	557.144266	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M-2H+Na"	20.974666
"479551"	825.229066	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M-2H+Na"	20.974666
"854073"	289.059466	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-2H+Na"	20.974666
"1625793"	289.059466	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Na-2H"	20.974666
"103414"	285.065863	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M-H+Cl"	33.962126
"540062"	419.108263	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M-H+Cl"	33.962126
"932484"	151.023463	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-H+Cl"	33.962126
"272872"	571.139002	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+Cl"	34.969402
"664200"	839.223802	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+Cl"	34.969402
"1275143"	303.054202	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Cl"	34.969402
"18065"	573.118206	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M-2H+K"	36.948606
"458716"	841.203006	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M-2H+K"	36.948606
"834573"	305.033406	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-2H+K"	36.948606
"1565476"	305.033406	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+K-2H"	36.948606
"945703"	313.082994	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-H+HCOOH"	44.998194
"363922"	581.167801	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+HCOOH-H"	44.998201
"346952"	595.183451	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+Hac-H"	59.013851
"1496274"	327.098651	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Hac-H"	59.013851
"965276"	335.064951	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-H+NaCOOH"	66.980151
"117465"	303.054202	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+2Cl"	69.938804
"559211"	437.096602	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+2Cl"	69.938804
"1030201"	169.011802	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2Cl"	69.938804
"1246493"	347.003685	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Br"	78.918885
"1311131"	349.059672	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Cl+HCOOH"	80.974872
"1325350"	371.041629	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Cl+NaCOOH"	102.956829
"917503"	381.070386	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M-H+CF3COOH"	112.985586
"1297492"	417.047064	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Cl+CF3COOH"	148.962264
"1378933"	233.072124	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H-2H2O"	-35.012676
"1395336"	251.0821	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H-H2O"	-17.0027
"290648"	537.176876	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+H"	1.007276
"684164"	805.261676	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+H"	1.007276
"1352127"	269.092076	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H"	1.007276
"127204"	269.092076	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+2H"	2.014552
"568587"	403.134476	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+2H"	2.014552
"1040304"	135.049676	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2H"	2.014552
"209298"	179.730476	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+3H"	3.021828
"645579"	269.092076	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+3H"	3.021828
"1167350"	90.368876	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+3H"	3.021828
"430988"	554.203423	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+NH4"	18.033823
"793076"	822.288223	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+NH4"	18.033823
"1688313"	286.118623	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+NH4"	18.033823
"336592"	277.6053495	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+H+NH4"	19.041099
"728651"	411.6477495	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+H+NH4"	19.041099
"1481374"	143.5629495	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H+NH4"	19.041099
"396046"	559.158818	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+Na"	22.989218
"756677"	827.243618	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+Na"	22.989218
"1605866"	291.074018	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Na"	22.989218
"314809"	280.083047	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+H+Na"	23.996494
"708330"	414.125447	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+H+Na"	23.996494
"1464332"	146.040647	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H+Na"	23.996494
"1056486"	97.69619	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2H+Na"	25.00377
"1260353"	301.118286	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+CH3OH+H"	33.033486
"384396"	575.132758	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+K"	38.963158
"744299"	843.217558	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+K"	38.963158
"1545260"	307.047958	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+K"	38.963158
"300005"	288.070017	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+H+K"	39.970434
"695949"	422.112417	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+H+K"	39.970434
"1451957"	154.027617	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H+K"	39.970434
"238374"	578.203426	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+ACN+H"	42.033826
"1212298"	310.118626	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+ACN+H"	42.033826
"1196180"	155.562951	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+ACN+2H"	43.041102
"195501"	581.14076	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+2Na-H"	44.97116
"640534"	849.22556	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+2Na-H"	44.97116
"1144040"	313.05596	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2Na-H"	44.97116
"187817"	291.074018	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+2Na"	45.978436
"625796"	425.116418	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+2Na"	45.978436
"1130885"	157.031618	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2Na"	45.978436
"1413075"	105.023504	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H+2Na"	46.985712
"1444456"	315.097546	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H+HCOOH"	47.012746
"233544"	296.10704	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+3H2O+2H"	56.04448
"1515044"	329.14959	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+IsoProp+H"	61.06479
"416917"	299.060988	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+Na+K"	61.952376
"783379"	433.103388	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+Na+K"	61.952376
"1676434"	165.018588	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Na+K"	61.952376
"259674"	600.185368	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+ACN+Na"	64.015768
"1235665"	332.100568	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+ACN+Na"	64.015768
"1719081"	332.124093	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+NH4+HCOOH"	64.039293
"1184436"	112.350818	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+3Na"	68.967654
"1655784"	337.079488	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Na+HCOOH"	68.994688
"161190"	613.08864	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+2K-H"	76.91904
"598198"	881.17344	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+2K-H"	76.91904
"1088543"	345.00384	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2K-H"	76.91904
"142442"	307.047958	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"2M+2K"	77.926316
"582856"	441.090358	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"3M+2K"	77.926316
"1071619"	173.005558	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2K"	77.926316
"1103737"	347.018392	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2K+H"	78.933592
"1341215"	347.106007	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+DMSO+H"	79.021207
"1009745"	351.145176	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2ACN+H"	83.060376
"1526778"	352.138808	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+IsoProp+Na+H"	84.054008
"995411"	176.076226	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+2ACN+2H"	84.067652
"1592104"	353.053428	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+K+HCOOH"	84.968628
"1417762"	383.084938	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+H+CF3COOH"	115.000138
"1155708"	196.589501	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+3ACN+2H"	125.094202
"1698332"	400.111485	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+NH4+CF3COOH"	132.026685
"1647473"	405.06688	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+Na+CF3COOH"	136.98208
"1578750"	421.04082	"C12117"	"Saphenic acid"	"C15H12N2O3"	"268.0848"	"M+K+CF3COOH"	152.95602
"817037"	282.1004	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M"	0
"989775"	263.08201	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-H2O-H"	-19.01839
"77461"	187.059657333333	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M-3H"	-3.021828
"518239"	281.093124	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M-3H"	-3.021828
"892639"	93.0261906666667	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-3H"	-3.021828
"13764"	281.093124	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M-2H"	-2.014552
"452961"	422.143324	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M-2H"	-2.014552
"830763"	140.042924	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-2H"	-2.014552
"90754"	563.193524	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M-H"	-1.007276
"525940"	845.293924	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M-H"	-1.007276
"910182"	281.093124	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-H"	-1.007276
"61643"	580.220071	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M-2H+NH4"	16.019271
"501808"	862.320471	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M-2H+NH4"	16.019271
"876573"	298.119671	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-2H+NH4"	16.019271
"45569"	585.175466	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M-2H+Na"	20.974666
"482941"	867.275866	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M-2H+Na"	20.974666
"857463"	303.075066	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-2H+Na"	20.974666
"1628090"	303.075066	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Na-2H"	20.974666
"106440"	299.081463	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M-H+Cl"	33.962126
"543087"	440.131663	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M-H+Cl"	33.962126
"934417"	158.031263	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-H+Cl"	33.962126
"276262"	599.170202	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+Cl"	34.969402
"666497"	881.270602	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+Cl"	34.969402
"1275618"	317.069802	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Cl"	34.969402
"24739"	601.149406	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M-2H+K"	36.948606
"459920"	883.249806	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M-2H+K"	36.948606
"838815"	319.049006	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-2H+K"	36.948606
"1559026"	319.049006	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+K-2H"	36.948606
"947999"	327.098594	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-H+HCOOH"	44.998194
"363303"	609.199001	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+HCOOH-H"	44.998201
"347062"	623.214651	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+Hac-H"	59.013851
"1496384"	341.114251	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Hac-H"	59.013851
"966480"	349.080551	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-H+NaCOOH"	66.980151
"121948"	317.069802	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+2Cl"	69.938804
"561508"	458.120002	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+2Cl"	69.938804
"1032499"	176.019602	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2Cl"	69.938804
"1245513"	361.019285	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Br"	78.918885
"1314523"	363.075272	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Cl+HCOOH"	80.974872
"1326554"	385.057229	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Cl+NaCOOH"	102.956829
"923082"	395.085986	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M-H+CF3COOH"	112.985586
"1304002"	431.062664	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Cl+CF3COOH"	148.962264
"1381960"	247.087724	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H-2H2O"	-35.012676
"1398000"	265.0977	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H-H2O"	-17.0027
"296955"	565.208076	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+H"	1.007276
"689742"	847.308476	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+H"	1.007276
"1358437"	283.107676	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H"	1.007276
"130961"	283.107676	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+2H"	2.014552
"573074"	424.157876	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+2H"	2.014552
"1050256"	142.057476	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2H"	2.014552
"215241"	189.074209333333	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+3H"	3.021828
"650430"	283.107676	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+3H"	3.021828
"1171836"	95.0407426666667	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+3H"	3.021828
"431828"	582.234623	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+NH4"	18.033823
"796101"	864.335023	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+NH4"	18.033823
"1691339"	300.134223	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+NH4"	18.033823
"339618"	291.6209495	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+H+NH4"	19.041099
"734227"	432.6711495	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+H+NH4"	19.041099
"1484764"	150.5707495	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H+NH4"	19.041099
"400164"	587.190018	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+Na"	22.989218
"761160"	869.290418	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+Na"	22.989218
"1607071"	305.089618	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Na"	22.989218
"316380"	294.098647	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+H+Na"	23.996494
"708437"	435.148847	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+H+Na"	23.996494
"1465536"	153.048447	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H+Na"	23.996494
"1058782"	102.368056666667	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2H+Na"	25.00377
"1263743"	315.133886	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+CH3OH+H"	33.033486
"381225"	603.163958	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+K"	38.963158
"744408"	885.264358	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+K"	38.963158
"1551930"	321.063558	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+K"	38.963158
"304733"	302.085617	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+H+K"	39.970434
"698246"	443.135817	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+H+K"	39.970434
"1452065"	161.035417	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H+K"	39.970434
"243952"	606.234626	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+ACN+H"	42.033826
"1212286"	324.134226	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+ACN+H"	42.033826
"1196530"	162.570751	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+ACN+2H"	43.041102
"194518"	609.17196	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+2Na-H"	44.97116
"639548"	891.27236	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+2Na-H"	44.97116
"1146898"	327.07156	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2Na-H"	44.97116
"187927"	305.089618	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+2Na"	45.978436
"628340"	446.139818	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+2Na"	45.978436
"1128318"	164.039418	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2Na"	45.978436
"1413791"	109.695370666667	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H+2Na"	46.985712
"1438491"	329.113146	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H+HCOOH"	47.012746
"232558"	310.12264	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+3H2O+2H"	56.04448
"1524154"	343.16519	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+IsoProp+H"	61.06479
"423346"	313.076588	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+Na+K"	61.952376
"784950"	454.126788	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+Na+K"	61.952376
"1672170"	172.026388	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Na+K"	61.952376
"258691"	628.216568	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+ACN+Na"	64.015768
"1233588"	346.116168	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+ACN+Na"	64.015768
"1718097"	346.139693	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+NH4+HCOOH"	64.039293
"1184545"	117.022684666667	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+3Na"	68.967654
"1655527"	351.095088	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Na+HCOOH"	68.994688
"162753"	641.11984	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+2K-H"	76.91904
"599160"	923.22024	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+2K-H"	76.91904
"1086708"	359.01944	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2K-H"	76.91904
"149845"	321.063558	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"2M+2K"	77.926316
"590500"	462.113758	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"3M+2K"	77.926316
"1071728"	180.013358	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2K"	77.926316
"1109311"	361.033992	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2K+H"	78.933592
"1345696"	361.121607	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+DMSO+H"	79.021207
"1014228"	365.160776	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2ACN+H"	83.060376
"1534539"	366.154408	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+IsoProp+Na+H"	84.054008
"995521"	183.084026	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+2ACN+2H"	84.067652
"1591120"	367.069028	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+K+HCOOH"	84.968628
"1418965"	397.100538	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+H+CF3COOH"	115.000138
"1150349"	203.597301	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+3ACN+2H"	125.094202
"1700993"	414.127085	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+NH4+CF3COOH"	132.026685
"1647583"	419.08248	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+Na+CF3COOH"	136.98208
"1578860"	435.05642	"C12118"	"Saphenic acid methyl ester"	"C16H14N2O3"	"282.1004"	"M+K+CF3COOH"	152.95602
"801418"	268.0484	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M"	0
"984949"	249.03001	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-H2O-H"	-19.01839
"69916"	177.691657333333	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M-3H"	-3.021828
"507290"	267.041124	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M-3H"	-3.021828
"881810"	88.3421906666667	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-3H"	-3.021828
"3664"	267.041124	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M-2H"	-2.014552
"444318"	401.065324	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M-2H"	-2.014552
"818842"	133.016924	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-2H"	-2.014552
"82113"	535.089524	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M-H"	-1.007276
"524954"	803.137924	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M-H"	-1.007276
"897288"	267.041124	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-H"	-1.007276
"56766"	552.116071	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M-2H+NH4"	16.019271
"498149"	820.164471	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M-2H+NH4"	16.019271
"871210"	284.067671	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-2H+NH4"	16.019271
"36928"	557.071466	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M-2H+Na"	20.974666
"476489"	825.119866	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M-2H+Na"	20.974666
"854290"	289.023066	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-2H+Na"	20.974666
"1619452"	289.023066	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Na-2H"	20.974666
"101447"	285.029463	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M-H+Cl"	33.962126
"536029"	419.053663	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M-H+Cl"	33.962126
"928331"	151.005263	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-H+Cl"	33.962126
"276372"	571.066202	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+Cl"	34.969402
"666607"	839.114602	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+Cl"	34.969402
"1280106"	303.017802	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Cl"	34.969402
"22663"	573.045406	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M-2H+K"	36.948606
"462217"	841.093806	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M-2H+K"	36.948606
"834673"	304.997006	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-2H+K"	36.948606
"1557312"	304.997006	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+K-2H"	36.948606
"944832"	313.046594	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-H+HCOOH"	44.998194
"364873"	581.095001	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+HCOOH-H"	44.998201
"346324"	595.110651	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+Hac-H"	59.013851
"1499046"	327.062251	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Hac-H"	59.013851
"963674"	335.028551	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-H+NaCOOH"	66.980151
"118779"	303.017802	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+2Cl"	69.938804
"559431"	437.042002	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+2Cl"	69.938804
"1027141"	168.993602	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2Cl"	69.938804
"1243801"	346.967285	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Br"	78.918885
"1312446"	349.023272	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Cl+HCOOH"	80.974872
"1324477"	371.005229	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Cl+NaCOOH"	102.956829
"922828"	381.033986	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M-H+CF3COOH"	112.985586
"1297712"	417.010664	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Cl+CF3COOH"	148.962264
"1376967"	233.035724	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H-2H2O"	-35.012676
"1390089"	251.0457	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H-H2O"	-17.0027
"290868"	537.104076	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+H"	1.007276
"684385"	805.152476	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+H"	1.007276
"1357454"	269.055676	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H"	1.007276
"132530"	269.055676	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+2H"	2.014552
"568080"	403.079876	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+2H"	2.014552
"1044170"	135.031476	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2H"	2.014552
"214258"	179.706209333333	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+3H"	3.021828
"652730"	269.055676	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+3H"	3.021828
"1169760"	90.3567426666667	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+3H"	3.021828
"431937"	554.130623	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+NH4"	18.033823
"798399"	822.179023	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+NH4"	18.033823
"1690356"	286.082223	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+NH4"	18.033823
"339727"	277.5689495	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+H+NH4"	19.041099
"732151"	411.5931495	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+H+NH4"	19.041099
"1481594"	143.5447495	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H+NH4"	19.041099
"399183"	559.086018	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+Na"	22.989218
"760177"	827.134418	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+Na"	22.989218
"1604994"	291.037618	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Na"	22.989218
"316490"	280.046647	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+H+Na"	23.996494
"707820"	414.070847	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+H+Na"	23.996494
"1467834"	146.022447	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H+Na"	23.996494
"1058892"	97.6840566666667	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2H+Na"	25.00377
"1262757"	301.081886	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+CH3OH+H"	33.033486
"381334"	575.059958	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+K"	38.963158
"744516"	843.108358	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+K"	38.963158
"1553863"	307.011558	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+K"	38.963158
"304842"	288.033617	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+H+K"	39.970434
"698356"	422.057817	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+H+K"	39.970434
"1452175"	154.009417	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H+K"	39.970434
"245155"	578.130626	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+ACN+H"	42.033826
"1212397"	310.082226	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+ACN+H"	42.033826
"1196276"	155.544751	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+ACN+2H"	43.041102
"194628"	581.06796	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+2Na-H"	44.97116
"637471"	849.11636	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+2Na-H"	44.97116
"1143165"	313.01956	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2Na-H"	44.97116
"185362"	291.037618	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+2Na"	45.978436
"626016"	425.061818	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+2Na"	45.978436
"1126241"	157.013418	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2Na"	45.978436
"1413941"	105.011370666667	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H+2Na"	46.985712
"1435321"	315.061146	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H+HCOOH"	47.012746
"235682"	296.07064	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+3H2O+2H"	56.04448
"1523894"	329.11319	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+IsoProp+H"	61.06479
"418231"	299.024588	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+Na+K"	61.952376
"785382"	433.048788	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+Na+K"	61.952376
"1672280"	165.000388	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Na+K"	61.952376
"263176"	600.112568	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+ACN+Na"	64.015768
"1230416"	332.064168	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+ACN+Na"	64.015768
"1718208"	332.087693	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+NH4+HCOOH"	64.039293
"1181740"	112.338684666667	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+3Na"	68.967654
"1655638"	337.043088	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Na+HCOOH"	68.994688
"163956"	613.01584	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+2K-H"	76.91904
"599270"	881.06424	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+2K-H"	76.91904
"1088762"	344.96744	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2K-H"	76.91904
"148862"	307.011558	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"2M+2K"	77.926316
"590610"	441.035758	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"3M+2K"	77.926316
"1071839"	172.987358	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2K"	77.926316
"1109422"	346.981992	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2K+H"	78.933592
"1346902"	347.069607	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+DMSO+H"	79.021207
"1015431"	351.108776	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2ACN+H"	83.060376
"1535017"	352.102408	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+IsoProp+Na+H"	84.054008
"995631"	176.058026	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+2ACN+2H"	84.067652
"1589043"	353.017028	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+K+HCOOH"	84.968628
"1417982"	383.048538	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+H+CF3COOH"	115.000138
"1150459"	196.571301	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+3ACN+2H"	125.094202
"1700010"	400.075085	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+NH4+CF3COOH"	132.026685
"1647693"	405.03048	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+Na+CF3COOH"	136.98208
"1578970"	421.00442	"C12119"	"Phenazine-16-dicarboxylic acid;Phenazine-16-dicarboxylate"	"C14H8N2O4"	"268.0484"	"M+K+CF3COOH"	152.95602
"802777"	266.0691	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M"	0
"982872"	247.05071	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-H2O-H"	-19.01839
"75129"	176.372124	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M-3H"	-3.021828
"516147"	265.061824	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M-3H"	-3.021828
"882283"	87.682424	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-3H"	-3.021828
"5961"	265.061824	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M-2H"	-2.014552
"443699"	398.096374	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M-2H"	-2.014552
"828793"	132.027274	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-2H"	-2.014552
"88784"	531.130924	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M-H"	-1.007276
"531263"	797.200024	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M-H"	-1.007276
"903959"	265.061824	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-H"	-1.007276
"55782"	548.157471	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M-2H+NH4"	16.019271
"498623"	814.226571	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M-2H+NH4"	16.019271
"870226"	282.088371	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-2H+NH4"	16.019271
"43599"	553.112866	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M-2H+Na"	20.974666
"479879"	819.181966	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M-2H+Na"	20.974666
"854400"	287.043766	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-2H+Na"	20.974666
"1625029"	287.043766	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Na-2H"	20.974666
"107024"	283.050163	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M-H+Cl"	33.962126
"542212"	416.084713	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M-H+Cl"	33.962126
"928441"	150.015613	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-H+Cl"	33.962126
"281825"	567.107602	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+Cl"	34.969402
"669997"	833.176702	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+Cl"	34.969402
"1281309"	301.038502	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Cl"	34.969402
"19493"	569.086806	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M-2H+K"	36.948606
"460141"	835.155906	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M-2H+K"	36.948606
"833161"	303.017706	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-2H+K"	36.948606
"1558152"	303.017706	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+K-2H"	36.948606
"947127"	311.067294	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-H+HCOOH"	44.998194
"363159"	577.136401	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+HCOOH-H"	44.998201
"347042"	591.152051	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+Hac-H"	59.013851
"1495146"	325.082951	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Hac-H"	59.013851
"963420"	333.049251	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-H+NaCOOH"	66.980151
"117795"	301.038502	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+2Cl"	69.938804
"556261"	434.073052	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+2Cl"	69.938804
"1022147"	168.003952	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2Cl"	69.938804
"1243913"	344.987985	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Br"	78.918885
"1310370"	347.043972	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Cl+HCOOH"	80.974872
"1322401"	369.025929	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Cl+NaCOOH"	102.956829
"913460"	379.054686	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M-H+CF3COOH"	112.985586
"1297821"	415.031364	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Cl+CF3COOH"	148.962264
"1377077"	231.056424	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H-2H2O"	-35.012676
"1390199"	249.0664	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H-H2O"	-17.0027
"289885"	533.145476	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+H"	1.007276
"685590"	799.214576	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+H"	1.007276
"1357564"	267.076376	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H"	1.007276
"132640"	267.076376	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+2H"	2.014552
"571105"	400.110926	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+2H"	2.014552
"1043186"	134.041826	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2H"	2.014552
"214371"	178.386676	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+3H"	3.021828
"655025"	267.076376	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+3H"	3.021828
"1174244"	89.696976	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+3H"	3.021828
"432047"	550.172023	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+NH4"	18.033823
"798510"	816.241123	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+NH4"	18.033823
"1690466"	284.102923	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+NH4"	18.033823
"342024"	275.5896495	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+H+NH4"	19.041099
"733355"	408.6241995	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+H+NH4"	19.041099
"1480611"	142.5550995	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H+NH4"	19.041099
"398199"	555.127418	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+Na"	22.989218
"755916"	821.196518	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+Na"	22.989218
"1607292"	289.058318	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Na"	22.989218
"314899"	278.067347	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+H+Na"	23.996494
"709025"	411.101897	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+H+Na"	23.996494
"1467944"	145.032797	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H+Na"	23.996494
"1057908"	97.02429	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2H+Na"	25.00377
"1259585"	299.102586	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+CH3OH+H"	33.033486
"380714"	571.101358	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+K"	38.963158
"743534"	837.170458	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+K"	38.963158
"1553609"	305.032258	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+K"	38.963158
"308232"	286.054317	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+H+K"	39.970434
"698466"	419.088867	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+H+K"	39.970434
"1452286"	153.019767	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H+K"	39.970434
"243079"	574.172026	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+ACN+H"	42.033826
"1216881"	308.102926	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+ACN+H"	42.033826
"1199671"	154.555101	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+ACN+2H"	43.041102
"195102"	577.10936	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+2Na-H"	44.97116
"636488"	843.17846	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+2Na-H"	44.97116
"1144979"	311.04026	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2Na-H"	44.97116
"185472"	289.058318	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+2Na"	45.978436
"625032"	422.092868	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+2Na"	45.978436
"1126354"	156.023768	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2Na"	45.978436
"1410972"	104.351604	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H+2Na"	46.985712
"1435431"	313.081846	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H+HCOOH"	47.012746
"233511"	294.09134	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+3H2O+2H"	56.04448
"1521573"	327.13389	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+IsoProp+H"	61.06479
"423814"	297.045288	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+Na+K"	61.952376
"783712"	430.079838	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+Na+K"	61.952376
"1674577"	164.010738	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Na+K"	61.952376
"260004"	596.153968	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+ACN+Na"	64.015768
"1235994"	330.084868	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+ACN+Na"	64.015768
"1721236"	330.108393	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+NH4+HCOOH"	64.039293
"1182943"	111.678918	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+3Na"	68.967654
"1655748"	335.063788	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Na+HCOOH"	68.994688
"160788"	609.05724	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+2K-H"	76.91904
"601084"	875.12634	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+2K-H"	76.91904
"1091789"	342.98814	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2K-H"	76.91904
"149703"	305.032258	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"2M+2K"	77.926316
"591086"	438.066808	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"3M+2K"	77.926316
"1075960"	171.997708	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2K"	77.926316
"1109900"	345.002692	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2K+H"	78.933592
"1347379"	345.090307	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+DMSO+H"	79.021207
"1019188"	349.129476	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2ACN+H"	83.060376
"1537313"	350.123108	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+IsoProp+Na+H"	84.054008
"995741"	175.068376	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+2ACN+2H"	84.067652
"1592433"	351.037728	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+K+HCOOH"	84.968628
"1416999"	381.069238	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+H+CF3COOH"	115.000138
"1150569"	195.581651	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+3ACN+2H"	125.094202
"1700121"	398.095785	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+NH4+CF3COOH"	132.026685
"1647803"	403.05118	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+Na+CF3COOH"	136.98208
"1579080"	419.02512	"C12120"	"6-Acetophenazine-1-carboxylic acid;6-Acetylphenazine-1-carboxylic acid"	"C15H10N2O3"	"266.0691"	"M+K+CF3COOH"	152.95602
"806167"	173.0688	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M"	0
"985169"	154.05041	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-H2O-H"	-19.01839
"70136"	114.371924	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M-3H"	-3.021828
"510790"	172.061524	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M-3H"	-3.021828
"882028"	56.682324	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-3H"	-3.021828
"8258"	172.061524	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M-2H"	-2.014552
"444538"	258.595924	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M-2H"	-2.014552
"824529"	85.527124	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-2H"	-2.014552
"89988"	345.130324	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M-H"	-1.007276
"529549"	518.199124	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M-H"	-1.007276
"902976"	172.061524	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-H"	-1.007276
"56256"	362.156871	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M-2H+NH4"	16.019271
"496910"	535.225671	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M-2H+NH4"	16.019271
"867420"	189.088071	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-2H+NH4"	16.019271
"45532"	367.112266	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M-2H+Na"	20.974666
"479989"	540.181066	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M-2H+Na"	20.974666
"857790"	194.043466	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-2H+Na"	20.974666
"1631699"	194.043466	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Na-2H"	20.974666
"108473"	190.049863	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M-H+Cl"	33.962126
"544509"	276.584263	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M-H+Cl"	33.962126
"928548"	103.515463	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-H+Cl"	33.962126
"279868"	381.107002	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+Cl"	34.969402
"674722"	554.175802	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+Cl"	34.969402
"1278139"	208.038202	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Cl"	34.969402
"20696"	383.086206	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M-2H+K"	36.948606
"457091"	556.155006	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M-2H+K"	36.948606
"833556"	210.017406	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-2H+K"	36.948606
"1557169"	210.017406	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+K-2H"	36.948606
"947236"	218.066994	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-H+HCOOH"	44.998194
"365454"	391.135801	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+HCOOH-H"	44.998201
"347271"	405.151451	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+Hac-H"	59.013851
"1493148"	232.082651	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Hac-H"	59.013851
"959273"	240.048951	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-H+NaCOOH"	66.980151
"112800"	208.038202	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+2Cl"	69.938804
"552359"	294.572602	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+2Cl"	69.938804
"1021605"	121.503802	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2Cl"	69.938804
"1242441"	251.987685	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Br"	78.918885
"1305740"	254.043672	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Cl+HCOOH"	80.974872
"1322508"	276.025629	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Cl+NaCOOH"	102.956829
"913570"	286.054386	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M-H+CF3COOH"	112.985586
"1288852"	322.031064	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Cl+CF3COOH"	148.962264
"1370627"	138.056124	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H-2H2O"	-35.012676
"1385935"	156.0661	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H-H2O"	-17.0027
"284892"	347.144876	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+H"	1.007276
"684242"	520.213676	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+H"	1.007276
"1354758"	174.076076	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H"	1.007276
"132750"	174.076076	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+2H"	2.014552
"567936"	260.610476	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+2H"	2.014552
"1044390"	87.541676	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2H"	2.014552
"212293"	116.386476	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+3H"	3.021828
"650032"	174.076076	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+3H"	3.021828
"1167793"	58.696876	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+3H"	3.021828
"429970"	364.171423	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+NH4"	18.033823
"795337"	537.240223	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+NH4"	18.033823
"1690573"	191.102623	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+NH4"	18.033823
"339947"	182.5893495	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+H+NH4"	19.041099
"729087"	269.1237495	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+H+NH4"	19.041099
"1484000"	96.0549495	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H+NH4"	19.041099
"400494"	369.126818	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+Na"	22.989218
"761488"	542.195618	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+Na"	22.989218
"1607402"	196.058018	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Na"	22.989218
"314442"	185.067047	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+H+Na"	23.996494
"707675"	271.601447	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+H+Na"	23.996494
"1464774"	98.532647	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H+Na"	23.996494
"1054005"	66.02419	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2H+Na"	25.00377
"1257344"	206.102286	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+CH3OH+H"	33.033486
"378760"	385.100758	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+K"	38.963158
"742551"	558.169558	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+K"	38.963158
"1547886"	212.031958	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+K"	38.963158
"305061"	193.054017	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+H+K"	39.970434
"695295"	279.588417	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+H+K"	39.970434
"1451301"	106.519617	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H+K"	39.970434
"247562"	388.171426	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+ACN+H"	42.033826
"1213711"	215.102626	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+ACN+H"	42.033826
"1197228"	108.054951	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+ACN+2H"	43.041102
"192657"	391.10876	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+2Na-H"	44.97116
"638419"	564.17756	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+2Na-H"	44.97116
"1144483"	218.03996	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2Na-H"	44.97116
"182302"	196.058018	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+2Na"	45.978436
"619675"	282.592418	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+2Na"	45.978436
"1126461"	109.523618	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2Na"	45.978436
"1408528"	73.351504	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H+2Na"	46.985712
"1435541"	220.081546	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H+HCOOH"	47.012746
"229608"	201.09104	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+3H2O+2H"	56.04448
"1518763"	234.13359	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+IsoProp+H"	61.06479
"421370"	204.044988	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+Na+K"	61.952376
"781633"	290.579388	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+Na+K"	61.952376
"1673959"	117.510588	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Na+K"	61.952376
"259021"	410.153368	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+ACN+Na"	64.015768
"1235376"	237.084568	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+ACN+Na"	64.015768
"1719160"	237.108093	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+NH4+HCOOH"	64.039293
"1183783"	80.678818	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+3Na"	68.967654
"1654765"	242.063488	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Na+HCOOH"	68.994688
"160898"	423.05664	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+2K-H"	76.91904
"602285"	596.12544	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+2K-H"	76.91904
"1092629"	249.98784	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2K-H"	76.91904
"149449"	212.031958	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"2M+2K"	77.926316
"592654"	298.566358	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"3M+2K"	77.926316
"1075344"	125.497558	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2K"	77.926316
"1109281"	252.002392	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2K+H"	78.933592
"1347489"	252.090007	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+DMSO+H"	79.021207
"1016018"	256.129176	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2ACN+H"	83.060376
"1535602"	257.122808	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+IsoProp+Na+H"	84.054008
"995853"	128.568226	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+2ACN+2H"	84.067652
"1589262"	258.037428	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+K+HCOOH"	84.968628
"1414797"	288.068938	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+H+CF3COOH"	115.000138
"1150679"	149.081501	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+3ACN+2H"	125.094202
"1698044"	305.095485	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+NH4+CF3COOH"	132.026685
"1646820"	310.05088	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+Na+CF3COOH"	136.98208
"1573721"	326.02482	"C12121"	"5-Deoxy-5-aminoshikimic acid"	"C7H11NO4"	"173.0688"	"M+K+CF3COOH"	152.95602
"806277"	274.0841	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M"	0
"986372"	255.06571	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"72433"	181.715457333333	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"513087"	273.076824	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"883232"	90.3540906666667	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"8368"	273.076824	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"445741"	410.118874	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"827919"	136.034774	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"91191"	547.160924	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"530751"	821.245024	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"903086"	273.076824	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"54179"	564.187471	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"498113"	838.271571	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"868259"	290.103371	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"46005"	569.142866	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"480099"	843.226966	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"857900"	295.058766	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1631445"	295.058766	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"108705"	291.065163	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"545712"	428.107213	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"928169"	154.023113	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"278884"	583.137602	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"673493"	857.221702	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1274969"	309.053502	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"24087"	585.116806	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"462548"	859.200906	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"833666"	311.032706	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1558371"	311.032706	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"946253"	319.082294	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"364103"	593.166401	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"347016"	607.182051	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1493176"	333.097951	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"961448"	341.064251	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"112544"	309.053502	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"552104"	446.095552	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1024188"	172.011452	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1242792"	353.002985	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1304674"	355.058972	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1321885"	377.040929	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"913069"	387.069686	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1289047"	423.046364	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1368425"	239.071424	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1386045"	257.0814	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"286095"	549.175476	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"684716"	823.259576	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1356690"	275.091376	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"133953"	275.091376	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"569137"	412.133426	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1044499"	138.049326	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"210215"	183.730009333333	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"647952"	275.091376	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1164986"	92.3686426666667	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"428987"	566.202023	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"794353"	840.286123	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1689590"	292.117923	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"340785"	283.6046495	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"728466"	420.6466995	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1487390"	146.5625995	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"399509"	571.157418	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"761598"	845.241518	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1604233"	297.073318	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"318646"	286.082347	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"708881"	423.124397	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1462939"	149.040297	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1054116"	99.6959566666666	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1257982"	307.117586	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"381665"	587.131358	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"743754"	861.215458	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1549089"	313.047258	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"308451"	294.069317	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"699779"	431.111367	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1453599"	157.027267	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"247672"	590.202026	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1216008"	316.117926	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1197702"	158.562601	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"193860"	593.13936	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"637436"	867.22346	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1143498"	319.05526	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"179132"	297.073318	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"619785"	434.115368	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1126571"	160.031268	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1406815"	107.023270666667	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1435651"	321.096846	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"227531"	302.10634	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1518873"	335.14889	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"420747"	305.060288	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"779555"	442.102338	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1671880"	168.018238	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"259131"	612.183968	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1234393"	338.099868	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1719633"	338.123393	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1182801"	114.350584666667	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1652690"	343.078788	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"159553"	625.08724	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"601302"	899.17134	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1089095"	351.00314	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"149193"	313.047258	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"592764"	450.089308	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1076546"	176.005208	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1109755"	353.017692	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1347600"	353.105307	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1018316"	357.144476	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1536077"	358.138108	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"1000335"	179.075876	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1589736"	359.052728	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1415393"	389.084238	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1150789"	199.589151	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1698519"	406.110785	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1646930"	411.06618	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1573832"	427.04012	"C12122"	"Luteoliflavan"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"801403"	254.0579	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M"	0
"986482"	235.03951	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"68170"	168.364657333333	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"505543"	253.050624	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"880425"	83.6786906666667	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"5197"	253.050624	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"442571"	380.079574	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"823656"	126.021674	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"82554"	507.108524	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"527582"	761.166424	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"903196"	253.050624	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"54289"	524.135071	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"497130"	778.192971	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"868369"	270.077171	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"45873"	529.090466	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"480209"	783.148366	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"858010"	275.032566	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1630826"	275.032566	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"109178"	271.038963	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"545822"	398.067913	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"928281"	144.010013	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"276808"	543.085202	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"671417"	797.143102	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1275079"	289.027302	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"24197"	545.064406	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"460471"	799.122306	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"833776"	291.006506	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1560669"	291.006506	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"944905"	299.056094	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"363849"	553.114001	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"347006"	567.129651	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1492785"	313.071751	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"960465"	321.038051	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"111559"	289.027302	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"552216"	416.056252	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1025391"	161.998352	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1242053"	332.976785	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1304865"	335.032772	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1320171"	357.014729	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"911595"	367.043486	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1288833"	403.020164	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1367038"	219.045224	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1387611"	237.0552	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"283653"	509.123076	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"681545"	763.180976	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1355707"	255.065176	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"134063"	255.065176	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"567059"	382.094126	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1039869"	128.036226	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"208500"	170.379209333333	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"646602"	255.065176	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1165458"	85.6932426666667	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"429096"	526.149623	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"792276"	780.207523	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1688607"	272.091723	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"336885"	263.5784495	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"732588"	390.6073995	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1483128"	136.5494995	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"398527"	531.105018	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"760615"	785.162918	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1603369"	277.047118	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"316568"	266.056147	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"709355"	393.085097	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1462198"	139.027197	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1053253"	93.0205566666667	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1257485"	287.091386	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"379589"	547.078958	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"739488"	801.136858	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1545919"	293.021058	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"305281"	274.043117	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"696609"	401.072067	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1452615"	147.014167	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"246689"	550.149626	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1216118"	296.091726	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1201094"	148.549501	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"193970"	553.08696	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"632437"	807.14486	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1133029"	299.02906	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"179606"	277.047118	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"620259"	404.076068	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1123401"	150.018168	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1406925"	100.347870666667	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1435761"	301.070646	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"227641"	282.08014	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1515703"	315.12269	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"420856"	285.034088	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"777479"	412.063038	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1670897"	158.005138	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"259241"	572.131568	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1235231"	318.073668	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1720836"	318.097193	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1182911"	107.675184666667	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1653894"	323.052588	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"159663"	585.03484	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"602506"	839.09274	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1091391"	330.97694	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"149304"	293.021058	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"593968"	420.050008	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1074468"	165.992108	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1108772"	332.991492	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1349169"	333.079107	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1018791"	337.118276	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1538011"	338.111908	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1000446"	169.062776	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1588752"	339.026528	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1417327"	369.058038	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1148713"	189.576051	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1697533"	386.084585	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1647040"	391.03998	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1572849"	407.01392	"C12123"	"74-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"801648"	274.0841	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M"	0
"989266"	255.06571	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"71560"	181.715457333333	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"507840"	273.076824	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"883452"	90.3540906666667	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"4215"	273.076824	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"444865"	410.118874	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"819027"	136.034774	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"82664"	547.160924	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"525505"	821.245024	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"903306"	273.076824	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"56586"	564.187471	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"497240"	838.271571	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"866292"	290.103371	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"45376"	569.142866	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"480319"	843.226966	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"858120"	295.058766	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1630936"	295.058766	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"107832"	291.065163	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"545932"	428.107213	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"927422"	154.023113	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"278011"	583.137602	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"671527"	857.221702	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1276281"	309.053502	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"23214"	585.116806	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"458395"	859.200906	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"833280"	311.032706	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1556040"	311.032706	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"945382"	319.082294	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"362136"	593.166401	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"347481"	607.182051	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1494127"	333.097951	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"959480"	341.064251	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"111670"	309.053502	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"552325"	446.095552	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1025502"	172.011452	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1242163"	353.002985	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1304611"	355.058972	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1321741"	377.040929	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"912798"	387.069686	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1290604"	423.046364	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1368767"	239.071424	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1384441"	257.0814	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"284856"	549.175476	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"681655"	823.259576	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1354724"	275.091376	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"131987"	275.091376	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"567172"	412.133426	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1039251"	138.049326	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"208248"	183.730009333333	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"646349"	275.091376	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1164838"	92.3686426666667	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"429206"	566.202023	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"791293"	840.286123	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1689809"	292.117923	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"339182"	283.6046495	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"732698"	420.6466995	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1483238"	146.5625995	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"398637"	571.157418	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"762912"	845.241518	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1607731"	297.073318	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"314732"	286.082347	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"708129"	423.124397	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1461944"	149.040297	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1053244"	99.6959566666666	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1260025"	307.117586	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"377137"	587.131358	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"738993"	861.215458	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1546029"	313.047258	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"305391"	294.069317	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"694533"	431.111367	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1454911"	157.027267	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"245705"	590.202026	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1217323"	316.117926	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1200112"	158.562601	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"195173"	593.13936	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"630725"	867.22346	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1133868"	319.05526	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"182266"	297.073318	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"620003"	434.115368	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1119498"	160.031268	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1406671"	107.023270666667	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1435871"	321.096846	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"225564"	302.10634	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1513626"	335.14889	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"419871"	305.060288	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"778681"	442.102338	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1668820"	168.018238	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"257529"	612.183968	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1234248"	338.099868	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1716937"	338.123393	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1179741"	114.350584666667	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1652908"	343.078788	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"158680"	625.08724	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"601523"	899.17134	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1088586"	351.00314	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"149414"	313.047258	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"592255"	450.089308	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1072391"	176.005208	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1108882"	353.017692	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1350251"	353.105307	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1018902"	357.144476	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1538972"	358.138108	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"998370"	179.075876	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1588862"	359.052728	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1417438"	389.084238	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1147726"	199.589151	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1697643"	406.110785	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1647150"	411.06618	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1572959"	427.04012	"C12124"	"Apiforol"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"801988"	268.0736	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M"	0
"986702"	249.05521	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-H2O-H"	-19.01839
"69483"	177.708457333333	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M-3H"	-3.021828
"504670"	267.066324	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M-3H"	-3.021828
"884657"	88.3505906666667	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-3H"	-3.021828
"7603"	267.066324	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M-2H"	-2.014552
"446073"	401.103124	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M-2H"	-2.014552
"819864"	133.029524	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-2H"	-2.014552
"84961"	535.139924	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M-H"	-1.007276
"524521"	803.213524	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M-H"	-1.007276
"907790"	267.066324	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-H"	-1.007276
"56696"	552.166471	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M-2H+NH4"	16.019271
"494070"	820.240071	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M-2H+NH4"	16.019271
"865430"	284.092871	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-2H+NH4"	16.019271
"44879"	557.121866	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M-2H+Na"	20.974666
"480429"	825.195466	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M-2H+Na"	20.974666
"858230"	289.048266	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-2H+Na"	20.974666
"1630682"	289.048266	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Na-2H"	20.974666
"106483"	285.054663	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M-H+Cl"	33.962126
"546042"	419.091463	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M-H+Cl"	33.962126
"927205"	151.017863	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-H+Cl"	33.962126
"277028"	571.116602	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+Cl"	34.969402
"671637"	839.190202	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+Cl"	34.969402
"1277485"	303.043002	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Cl"	34.969402
"21135"	573.095806	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M-2H+K"	36.948606
"463973"	841.169406	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M-2H+K"	36.948606
"833755"	305.022206	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-2H+K"	36.948606
"1557973"	305.022206	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+K-2H"	36.948606
"945493"	313.071794	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-H+HCOOH"	44.998194
"361680"	581.145401	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+HCOOH-H"	44.998201
"348321"	595.161051	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+Hac-H"	59.013851
"1494236"	327.087451	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Hac-H"	59.013851
"961780"	335.053751	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-H+NaCOOH"	66.980151
"112875"	303.043002	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+2Cl"	69.938804
"553529"	437.079802	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+2Cl"	69.938804
"1025613"	169.006202	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2Cl"	69.938804
"1245189"	346.992485	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Br"	78.918885
"1305207"	349.048472	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Cl+HCOOH"	80.974872
"1321853"	371.030429	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Cl+NaCOOH"	102.956829
"911392"	381.059186	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M-H+CF3COOH"	112.985586
"1290714"	417.035864	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Cl+CF3COOH"	148.962264
"1369606"	233.060924	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H-2H2O"	-35.012676
"1387831"	251.0709	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H-H2O"	-17.0027
"286789"	537.154476	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+H"	1.007276
"685046"	805.228076	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+H"	1.007276
"1353013"	269.080876	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H"	1.007276
"128452"	269.080876	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+2H"	2.014552
"567284"	403.117676	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+2H"	2.014552
"1039117"	135.044076	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2H"	2.014552
"208358"	179.723009333333	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+3H"	3.021828
"647184"	269.080876	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+3H"	3.021828
"1167136"	90.3651426666667	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+3H"	3.021828
"430408"	554.181023	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+NH4"	18.033823
"791403"	822.254623	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+NH4"	18.033823
"1685912"	286.107423	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+NH4"	18.033823
"334188"	277.5941495	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+H+NH4"	19.041099
"730619"	411.6309495	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+H+NH4"	19.041099
"1486627"	143.5573495	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H+NH4"	19.041099
"402027"	559.136418	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+Na"	22.989218
"763022"	827.210018	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+Na"	22.989218
"1611121"	291.062818	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Na"	22.989218
"316786"	280.071847	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+H+Na"	23.996494
"710305"	414.108647	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+H+Na"	23.996494
"1462662"	146.035047	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H+Na"	23.996494
"1055900"	97.6924566666667	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2H+Na"	25.00377
"1258311"	301.107086	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+CH3OH+H"	33.033486
"377378"	575.110358	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+K"	38.963158
"740807"	843.183958	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+K"	38.963158
"1542859"	307.036758	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+K"	38.963158
"302223"	288.058817	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+H+K"	39.970434
"699018"	422.095617	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+H+K"	39.970434
"1455026"	154.022017	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H+K"	39.970434
"241443"	578.181026	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+ACN+H"	42.033826
"1216338"	310.107426	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+ACN+H"	42.033826
"1200222"	155.557351	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+ACN+2H"	43.041102
"193091"	581.11836	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+2Na-H"	44.97116
"635935"	849.19196	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+2Na-H"	44.97116
"1132034"	313.04476	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2Na-H"	44.97116
"180553"	291.062818	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+2Na"	45.978436
"616832"	425.099618	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+2Na"	45.978436
"1120699"	157.026018	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2Na"	45.978436
"1407143"	105.019770666667	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H+2Na"	46.985712
"1435981"	315.086346	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H+HCOOH"	47.012746
"223487"	296.09584	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+3H2O+2H"	56.04448
"1514829"	329.13839	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+IsoProp+H"	61.06479
"417795"	299.049788	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+Na+K"	61.952376
"775513"	433.086588	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+Na+K"	61.952376
"1675857"	165.012988	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Na+K"	61.952376
"260555"	600.162968	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+ACN+Na"	64.015768
"1234358"	332.089368	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+ACN+Na"	64.015768
"1715590"	332.112893	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+NH4+HCOOH"	64.039293
"1179851"	112.347084666667	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+3Na"	68.967654
"1652297"	337.068288	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Na+HCOOH"	68.994688
"157699"	613.06624	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+2K-H"	76.91904
"599082"	881.13984	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+2K-H"	76.91904
"1086508"	344.99264	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2K-H"	76.91904
"144053"	307.036758	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"2M+2K"	77.926316
"581668"	441.073558	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"3M+2K"	77.926316
"1074687"	172.999958	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2K"	77.926316
"1108992"	347.007192	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2K+H"	78.933592
"1348658"	347.094807	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+DMSO+H"	79.021207
"1018283"	351.133976	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2ACN+H"	83.060376
"1537500"	352.127608	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+IsoProp+Na+H"	84.054008
"1001758"	176.070626	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+2ACN+2H"	84.067652
"1588608"	353.042228	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+K+HCOOH"	84.968628
"1417548"	383.073738	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+H+CF3COOH"	115.000138
"1148685"	196.583901	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+3ACN+2H"	125.094202
"1697511"	400.100285	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+NH4+CF3COOH"	132.026685
"1647989"	405.05568	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+Na+CF3COOH"	136.98208
"1573069"	421.02962	"C12125"	"Isoformononetin;4-Hydroxy-7-methoxyisoflavone"	"C16H12O4"	"268.0736"	"M+K+CF3COOH"	152.95602
"803437"	306.074	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M"	0
"986816"	287.05561	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-H2O-H"	-19.01839
"77248"	203.042057333333	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M-3H"	-3.021828
"512433"	305.066724	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M-3H"	-3.021828
"884767"	101.017390666667	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-3H"	-3.021828
"4436"	305.066724	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M-2H"	-2.014552
"443265"	458.103724	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M-2H"	-2.014552
"825078"	152.029724	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-2H"	-2.014552
"83247"	611.140724	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M-H"	-1.007276
"526817"	917.214724	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M-H"	-1.007276
"907900"	305.066724	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-H"	-1.007276
"54254"	628.167271	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M-2H+NH4"	16.019271
"492721"	934.241271	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M-2H+NH4"	16.019271
"867243"	322.093271	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-2H+NH4"	16.019271
"36239"	633.122666	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M-2H+Na"	20.974666
"482727"	939.196666	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M-2H+Na"	20.974666
"861260"	327.048666	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-2H+Na"	20.974666
"1631156"	327.048666	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Na-2H"	20.974666
"101127"	323.055063	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M-H+Cl"	33.962126
"541785"	476.092063	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M-H+Cl"	33.962126
"928129"	170.018063	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-H+Cl"	33.962126
"277138"	647.117402	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+Cl"	34.969402
"673939"	953.191402	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+Cl"	34.969402
"1278689"	341.043402	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Cl"	34.969402
"21247"	649.096606	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M-2H+K"	36.948606
"460804"	955.170606	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M-2H+K"	36.948606
"837512"	343.022606	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-2H+K"	36.948606
"1557719"	343.022606	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+K-2H"	36.948606
"946697"	351.072194	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-H+HCOOH"	44.998194
"363817"	657.146201	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+HCOOH-H"	44.998201
"347337"	671.161851	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+Hac-H"	59.013851
"1493253"	365.087851	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Hac-H"	59.013851
"960432"	373.054151	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-H+NaCOOH"	66.980151
"112256"	341.043402	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+2Cl"	69.938804
"553640"	494.080402	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+2Cl"	69.938804
"1024627"	188.006402	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2Cl"	69.938804
"1248578"	384.992885	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Br"	78.918885
"1306654"	387.048872	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Cl+HCOOH"	80.974872
"1327431"	409.030829	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Cl+NaCOOH"	102.956829
"917396"	419.059586	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M-H+CF3COOH"	112.985586
"1289732"	455.036264	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Cl+CF3COOH"	148.962264
"1371172"	271.061324	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H-2H2O"	-35.012676
"1385750"	289.0713	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H-H2O"	-17.0027
"288360"	613.155276	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+H"	1.007276
"687342"	919.229276	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+H"	1.007276
"1362599"	307.081276	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H"	1.007276
"127103"	307.081276	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+2H"	2.014552
"569583"	460.118276	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+2H"	2.014552
"1040933"	154.044276	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2H"	2.014552
"205304"	205.056609333333	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+3H"	3.021828
"648024"	307.081276	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+3H"	3.021828
"1166149"	103.031942666667	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+3H"	3.021828
"433799"	630.181823	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+NH4"	18.033823
"793701"	936.255823	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+NH4"	18.033823
"1687845"	324.107823	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+NH4"	18.033823
"338309"	315.5945495	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+H+NH4"	19.041099
"728545"	468.6315495	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+H+NH4"	19.041099
"1485647"	162.5575495	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H+NH4"	19.041099
"398857"	635.137218	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+Na"	22.989218
"763134"	941.211218	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+Na"	22.989218
"1605036"	329.063218	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Na"	22.989218
"316896"	318.072247	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+H+Na"	23.996494
"709317"	471.109247	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+H+Na"	23.996494
"1462770"	165.035247	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H+Na"	23.996494
"1057474"	110.359256666667	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2H+Na"	25.00377
"1259882"	339.107486	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+CH3OH+H"	33.033486
"379186"	651.111158	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+K"	38.963158
"740916"	957.185158	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+K"	38.963158
"1546249"	345.037158	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+K"	38.963158
"302333"	326.059217	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+H+K"	39.970434
"700223"	479.096217	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+H+K"	39.970434
"1454045"	173.022217	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H+K"	39.970434
"242648"	654.181826	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+ACN+H"	42.033826
"1218637"	348.107826	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+ACN+H"	42.033826
"1201424"	174.557551	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+ACN+2H"	43.041102
"196483"	657.11916	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+2Na-H"	44.97116
"631307"	963.19316	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+2Na-H"	44.97116
"1132994"	351.04516	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2Na-H"	44.97116
"179569"	329.063218	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+2Na"	45.978436
"623504"	482.100218	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+2Na"	45.978436
"1121541"	176.026218	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2Na"	45.978436
"1410534"	117.686570666667	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H+2Na"	46.985712
"1436091"	353.086746	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H+HCOOH"	47.012746
"224690"	334.09624	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+3H2O+2H"	56.04448
"1519314"	367.13879	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+IsoProp+H"	61.06479
"416812"	337.050188	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+Na+K"	61.952376
"781820"	490.087188	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+Na+K"	61.952376
"1669770"	184.013188	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Na+K"	61.952376
"255197"	676.163768	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+ACN+Na"	64.015768
"1232276"	370.089768	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+ACN+Na"	64.015768
"1716795"	370.113293	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+NH4+HCOOH"	64.039293
"1179108"	125.013884666667	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+3Na"	68.967654
"1650133"	375.068688	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Na+HCOOH"	68.994688
"157361"	689.06704	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+2K-H"	76.91904
"599554"	995.14104	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+2K-H"	76.91904
"1086619"	382.99304	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2K-H"	76.91904
"142218"	345.037158	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"2M+2K"	77.926316
"582631"	498.074158	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"3M+2K"	77.926316
"1074797"	192.000158	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2K"	77.926316
"1109102"	385.007592	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2K+H"	78.933592
"1346583"	385.095207	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+DMSO+H"	79.021207
"1019121"	389.134376	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2ACN+H"	83.060376
"1539556"	390.128008	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+IsoProp+Na+H"	84.054008
"999682"	195.070826	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+2ACN+2H"	84.067652
"1597467"	391.042628	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+K+HCOOH"	84.968628
"1419844"	421.074138	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+H+CF3COOH"	115.000138
"1148309"	215.584101	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+3ACN+2H"	125.094202
"1697621"	438.100685	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+NH4+CF3COOH"	132.026685
"1648099"	443.05608	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+Na+CF3COOH"	136.98208
"1573179"	459.03002	"C12127"	"()-Gallocatechin;Gallocatechol"	"C15H14O7"	"306.074"	"M+K+CF3COOH"	152.95602
"803547"	274.0841	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M"	0
"986926"	255.06571	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"76263"	181.715457333333	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"509263"	273.076824	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"887064"	90.3540906666667	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"4546"	273.076824	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"446291"	410.118874	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"821908"	136.034774	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"82263"	547.160924	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"523647"	821.245024	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"899989"	273.076824	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"54729"	564.187471	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"492831"	838.271571	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"867716"	290.103371	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"37079"	569.142866	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"481744"	843.226966	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"861734"	295.058766	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1630172"	295.058766	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"99412"	291.065163	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"541895"	428.107213	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"928482"	154.023113	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"275061"	583.137602	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"674658"	857.221702	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1285360"	309.053502	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"25730"	585.116806	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"458728"	859.200906	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"840902"	311.032706	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1558922"	311.032706	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"950087"	319.082294	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"364291"	593.166401	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"348905"	607.182051	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1495914"	333.097951	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"962364"	341.064251	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"116378"	309.053502	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"557030"	446.095552	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1026195"	172.011452	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1244315"	353.002985	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1310045"	355.058972	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1327541"	377.040929	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"917506"	387.069686	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1290570"	423.046364	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1371282"	239.071424	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1386224"	257.0814	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"288470"	549.175476	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"684172"	823.259576	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1363074"	275.091376	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"128307"	275.091376	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"572973"	412.133426	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1037884"	138.049326	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"206755"	183.730009333333	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"647406"	275.091376	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1167353"	92.3686426666667	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"431722"	566.202023	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"793811"	840.286123	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1689048"	292.117923	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"335139"	283.6046495	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"729748"	420.6466995	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1483570"	146.5625995	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"400060"	571.157418	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"763245"	845.241518	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1608062"	297.073318	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"323566"	286.082347	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"707845"	423.124397	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1463612"	149.040297	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1054425"	99.6959566666666	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1261452"	307.117586	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"378084"	587.131358	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"742485"	861.215458	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1548548"	313.047258	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"302443"	294.069317	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"697053"	431.111367	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1449051"	157.027267	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"237653"	590.202026	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1216559"	316.117926	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1198255"	158.562601	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"192219"	593.13936	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"629961"	867.22346	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1133835"	319.05526	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"182961"	297.073318	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"623614"	434.115368	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1124932"	160.031268	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1411738"	107.023270666667	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1436201"	321.096846	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"228080"	302.10634	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1519424"	335.14889	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"416923"	305.060288	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"781931"	442.102338	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1670973"	168.018238	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"256401"	612.183968	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1233484"	338.099868	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1716906"	338.123393	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1181163"	114.350584666667	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1651055"	343.078788	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"159377"	625.08724	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"600759"	899.17134	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1087457"	351.00314	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"145367"	313.047258	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"583835"	450.089308	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1074907"	176.005208	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1110304"	353.017692	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1348758"	353.105307	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1019718"	357.144476	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1538329"	358.138108	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"999794"	179.075876	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1596485"	359.052728	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1424328"	389.084238	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1149149"	199.589151	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1697609"	406.110785	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1648573"	411.06618	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1573289"	427.04012	"C12128"	"(-)-Epiafzelechin;epi-Afzelechin"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"813501"	1491.3158	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M"	0
"987034"	1472.29741	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-H2O-H"	-19.01839
"78278"	993.203257333333	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M-3H"	-3.021828
"515931"	1490.308524	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M-3H"	-3.021828
"893732"	496.097990666667	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-3H"	-3.021828
"6838"	1490.308524	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M-2H"	-2.014552
"445306"	2235.966424	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M-2H"	-2.014552
"820192"	744.650624	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-2H"	-2.014552
"84192"	2981.624324	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M-H"	-1.007276
"524847"	4472.940124	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M-H"	-1.007276
"899003"	1490.308524	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-H"	-1.007276
"50464"	2998.650871	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M-2H+NH4"	16.019271
"490390"	4489.966671	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M-2H+NH4"	16.019271
"867099"	1507.335071	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-2H+NH4"	16.019271
"37553"	3003.606266	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M-2H+Na"	20.974666
"482947"	4494.922066	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M-2H+Na"	20.974666
"863912"	1512.290466	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-2H+Na"	20.974666
"1633566"	1512.290466	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Na-2H"	20.974666
"103532"	1508.296863	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M-H+Cl"	33.962126
"539818"	2253.954763	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M-H+Cl"	33.962126
"939531"	762.638963	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-H+Cl"	33.962126
"275171"	3017.601002	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+Cl"	34.969402
"674887"	4508.916802	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+Cl"	34.969402
"1287295"	1526.285202	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Cl"	34.969402
"26933"	3019.580206	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M-2H+K"	36.948606
"464306"	4510.896006	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M-2H+K"	36.948606
"844295"	1528.264406	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-2H+K"	36.948606
"1567784"	1528.264406	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+K-2H"	36.948606
"949104"	1536.313994	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-H+HCOOH"	44.998194
"369509"	3027.629801	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+HCOOH-H"	44.998201
"352662"	3041.645451	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+Hac-H"	59.013851
"1497118"	1550.329651	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Hac-H"	59.013851
"963568"	1558.295951	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-H+NaCOOH"	66.980151
"119768"	1526.285202	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+2Cl"	69.938804
"559328"	2271.943102	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+2Cl"	69.938804
"1028123"	780.627302	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2Cl"	69.938804
"1246609"	1570.234685	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Br"	78.918885
"1310150"	1572.290672	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Cl+HCOOH"	80.974872
"1325461"	1594.272629	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Cl+NaCOOH"	102.956829
"914700"	1604.301386	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M-H+CF3COOH"	112.985586
"1290678"	1640.278064	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Cl+CF3COOH"	148.962264
"1371389"	1456.303124	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H-2H2O"	-35.012676
"1385971"	1474.3131	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H-H2O"	-17.0027
"294047"	2983.638876	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+H"	1.007276
"684284"	4474.954676	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+H"	1.007276
"1356262"	1492.323076	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H"	1.007276
"133523"	1492.323076	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+2H"	2.014552
"573082"	2237.980976	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+2H"	2.014552
"1046255"	746.665176	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2H"	2.014552
"216708"	995.217809333333	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+3H"	3.021828
"651530"	1492.323076	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+3H"	3.021828
"1168562"	498.112542666667	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+3H"	3.021828
"429648"	3000.665423	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+NH4"	18.033823
"797931"	4491.981223	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+NH4"	18.033823
"1693535"	1509.349623	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+NH4"	18.033823
"342541"	1500.8363495	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+H+NH4"	19.041099
"735325"	2246.4942495	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+H+NH4"	19.041099
"1485866"	755.1784495	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H+NH4"	19.041099
"402357"	3005.620818	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+Na"	22.989218
"757887"	4496.936618	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+Na"	22.989218
"1605984"	1514.305018	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Na"	22.989218
"318214"	1503.314047	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+H+Na"	23.996494
"709537"	2248.971947	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+H+Na"	23.996494
"1467729"	757.656147	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H+Na"	23.996494
"1056603"	505.439856666667	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2H+Na"	25.00377
"1263750"	1524.349286	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+CH3OH+H"	33.033486
"383421"	3021.594758	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+K"	38.963158
"739313"	4512.910558	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+K"	38.963158
"1548659"	1530.278958	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+K"	38.963158
"305833"	1511.301017	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+H+K"	39.970434
"698256"	2256.958917	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+H+K"	39.970434
"1450619"	765.643117	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H+K"	39.970434
"241043"	3024.665426	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+ACN+H"	42.033826
"1214846"	1533.349626	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+ACN+H"	42.033826
"1199458"	767.178451	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+ACN+2H"	43.041102
"192696"	3027.60276	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+2Na-H"	44.97116
"632622"	4518.91856	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+2Na-H"	44.97116
"1138687"	1536.28696	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2Na-H"	44.97116
"181977"	1514.305018	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+2Na"	45.978436
"623724"	2259.962918	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+2Na"	45.978436
"1126135"	768.647118	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2Na"	45.978436
"1407476"	512.767170666667	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H+2Na"	46.985712
"1439591"	1538.328546	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H+HCOOH"	47.012746
"234755"	1519.33804	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+3H2O+2H"	56.04448
"1518442"	1552.38059	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+IsoProp+H"	61.06479
"418127"	1522.291988	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+Na+K"	61.952376
"778035"	2267.949888	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+Na+K"	61.952376
"1674365"	776.634088	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Na+K"	61.952376
"257604"	3046.647368	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+ACN+Na"	64.015768
"1231408"	1555.331568	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+ACN+Na"	64.015768
"1719203"	1555.355093	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+NH4+HCOOH"	64.039293
"1183460"	520.094484666667	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+3Na"	68.967654
"1656633"	1560.310488	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Na+HCOOH"	68.994688
"164588"	3059.55064	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+2K-H"	76.91904
"606337"	4550.86644	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+2K-H"	76.91904
"1091944"	1568.23484	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2K-H"	76.91904
"156053"	1530.278958	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"2M+2K"	77.926316
"595855"	2275.936858	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"3M+2K"	77.926316
"1083043"	784.621058	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2K"	77.926316
"1112605"	1570.249392	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2K+H"	78.933592
"1350328"	1570.337007	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+DMSO+H"	79.021207
"1020441"	1574.376176	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2ACN+H"	83.060376
"1538805"	1575.369808	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+IsoProp+Na+H"	84.054008
"999901"	787.691726	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+2ACN+2H"	84.067652
"1599873"	1576.284428	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+K+HCOOH"	84.968628
"1418973"	1606.315938	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+H+CF3COOH"	115.000138
"1148535"	808.205001	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+3ACN+2H"	125.094202
"1703190"	1623.342485	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+NH4+CF3COOH"	132.026685
"1642123"	1628.29788	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+Na+CF3COOH"	136.98208
"1579962"	1644.27182	"C12129"	"Anemone purple anthocyanin 1"	"C64H67O41"	"1491.3158"	"M+K+CF3COOH"	152.95602
"815798"	1289.3044	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M"	0
"986051"	1270.28601	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-H2O-H"	-19.01839
"69920"	858.528990666667	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M-3H"	-3.021828
"516041"	1288.297124	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M-3H"	-3.021828
"893843"	428.760857333333	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-3H"	-3.021828
"8042"	1288.297124	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M-2H"	-2.014552
"447603"	1932.949324	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M-2H"	-2.014552
"820302"	643.644924	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-2H"	-2.014552
"85396"	2577.601524	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M-H"	-1.007276
"523864"	3866.905924	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M-H"	-1.007276
"897655"	1288.297124	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-H"	-1.007276
"52397"	2594.628071	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M-2H+NH4"	16.019271
"492687"	3883.932471	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M-2H+NH4"	16.019271
"864656"	1305.323671	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-2H+NH4"	16.019271
"37663"	2599.583466	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M-2H+Na"	20.974666
"479778"	3888.887866	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M-2H+Na"	20.974666
"861956"	1310.279066	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-2H+Na"	20.974666
"1633636"	1310.279066	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Na-2H"	20.974666
"102549"	1306.285463	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M-H+Cl"	33.962126
"539925"	1950.937663	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M-H+Cl"	33.962126
"934537"	661.633263	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-H+Cl"	33.962126
"272727"	2613.578202	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+Cl"	34.969402
"669890"	3902.882602	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+Cl"	34.969402
"1279014"	1324.273802	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Cl"	34.969402
"21575"	2615.557406	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M-2H+K"	36.948606
"463320"	3904.861806	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M-2H+K"	36.948606
"837476"	1326.253006	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-2H+K"	36.948606
"1564610"	1326.253006	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+K-2H"	36.948606
"950307"	1334.302594	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-H+HCOOH"	44.998194
"367793"	2623.607001	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+HCOOH-H"	44.998201
"352767"	2637.622651	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+Hac-H"	59.013851
"1498684"	1348.318251	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Hac-H"	59.013851
"961487"	1356.284551	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-H+NaCOOH"	66.980151
"110309"	1324.273802	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+2Cl"	69.938804
"554334"	1968.926002	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+2Cl"	69.938804
"1025322"	679.621602	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2Cl"	69.938804
"1242342"	1368.223285	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Br"	78.918885
"1304549"	1370.279272	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Cl+HCOOH"	80.974872
"1323385"	1392.261229	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Cl+NaCOOH"	102.956829
"912987"	1402.289986	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M-H+CF3COOH"	112.985586
"1290059"	1438.266664	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Cl+CF3COOH"	148.962264
"1368220"	1254.291724	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H-2H2O"	-35.012676
"1385352"	1272.3017	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H-H2O"	-17.0027
"294158"	2579.616076	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+H"	1.007276
"683300"	3868.920476	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+H"	1.007276
"1359286"	1290.311676	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H"	1.007276
"135455"	1290.311676	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+2H"	2.014552
"572099"	1934.963876	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+2H"	2.014552
"1044179"	645.659476	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2H"	2.014552
"213174"	860.543542666667	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+3H"	3.021828
"652733"	1290.311676	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+3H"	3.021828
"1167579"	430.775409333333	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+3H"	3.021828
"429759"	2596.642623	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+NH4"	18.033823
"798772"	3885.947023	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+NH4"	18.033823
"1691456"	1307.338223	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+NH4"	18.033823
"340827"	1298.8249495	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+H+NH4"	19.041099
"736164"	1943.4771495	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+H+NH4"	19.041099
"1485975"	654.1727495	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H+NH4"	19.041099
"402467"	2601.598018	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+Na"	22.989218
"760183"	3890.902418	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+Na"	22.989218
"1605243"	1312.293618	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Na"	22.989218
"315528"	1301.302647	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+H+Na"	23.996494
"708673"	1945.954847	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+H+Na"	23.996494
"1464559"	656.650447	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H+Na"	23.996494
"1053917"	438.102723333333	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2H+Na"	25.00377
"1261673"	1322.337886	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+CH3OH+H"	33.033486
"378059"	2617.571958	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+K"	38.963158
"738893"	3906.876358	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+K"	38.963158
"1545487"	1328.267558	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+K"	38.963158
"301568"	1309.289617	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+H+K"	39.970434
"697272"	1953.941817	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+H+K"	39.970434
"1450001"	664.637417	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H+K"	39.970434
"238966"	2620.642626	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+ACN+H"	42.033826
"1213133"	1331.338226	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+ACN+H"	42.033826
"1195924"	666.172751	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+ACN+2H"	43.041102
"193170"	2623.57996	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+2Na-H"	44.97116
"633098"	3912.88436	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+2Na-H"	44.97116
"1138794"	1334.27556	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2Na-H"	44.97116
"180993"	1312.293618	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+2Na"	45.978436
"624927"	1956.945818	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+2Na"	45.978436
"1128068"	667.641418	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2Na"	45.978436
"1410865"	445.430037333333	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H+2Na"	46.985712
"1436421"	1336.317146	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H+HCOOH"	47.012746
"227209"	1317.32664	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+3H2O+2H"	56.04448
"1518552"	1350.36919	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+IsoProp+H"	61.06479
"421154"	1320.280588	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+Na+K"	61.952376
"778143"	1964.932788	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+Na+K"	61.952376
"1677756"	675.628388	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Na+K"	61.952376
"260996"	2642.624568	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+ACN+Na"	64.015768
"1234798"	1353.320168	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+ACN+Na"	64.015768
"1720406"	1353.343693	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+NH4+HCOOH"	64.039293
"1182842"	452.757351333333	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+3Na"	68.967654
"1660026"	1358.299088	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Na+HCOOH"	68.994688
"165794"	2655.52784	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+2K-H"	76.91904
"606448"	3944.83224	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+2K-H"	76.91904
"1093148"	1366.22344	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2K-H"	76.91904
"156773"	1328.267558	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"2M+2K"	77.926316
"596616"	1972.919758	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"3M+2K"	77.926316
"1082666"	683.615358	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2K"	77.926316
"1113809"	1368.237992	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2K+H"	78.933592
"1351007"	1368.325607	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+DMSO+H"	79.021207
"1021303"	1372.364776	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2ACN+H"	83.060376
"1538794"	1373.358408	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+IsoProp+Na+H"	84.054008
"1000011"	686.686026	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+2ACN+2H"	84.067652
"1599983"	1374.273028	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+K+HCOOH"	84.968628
"1421271"	1404.304538	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+H+CF3COOH"	115.000138
"1149375"	707.199301	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+3ACN+2H"	125.094202
"1702207"	1421.331085	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+NH4+CF3COOH"	132.026685
"1645513"	1426.28648	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+Na+CF3COOH"	136.98208
"1580072"	1442.26042	"C12130"	"Anemone blue anthocyanin 1"	"C57H61O34"	"1289.3044"	"M+K+CF3COOH"	152.95602
"813724"	1375.3048	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M"	0
"986161"	1356.28641	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-H2O-H"	-19.01839
"75498"	915.862590666667	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M-3H"	-3.021828
"516519"	1374.297524	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M-3H"	-3.021828
"891766"	457.427657333333	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-3H"	-3.021828
"10341"	1374.297524	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M-2H"	-2.014552
"446620"	2061.949924	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M-2H"	-2.014552
"821142"	686.645124	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-2H"	-2.014552
"83320"	2749.602324	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M-H"	-1.007276
"521786"	4124.907124	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M-H"	-1.007276
"897400"	1374.297524	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-H"	-1.007276
"51779"	2766.628871	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M-2H+NH4"	16.019271
"490610"	4141.933671	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M-2H+NH4"	16.019271
"866951"	1391.324071	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-2H+NH4"	16.019271
"36316"	2771.584266	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M-2H+Na"	20.974666
"476606"	4146.889066	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M-2H+Na"	20.974666
"855503"	1396.279466	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-2H+Na"	20.974666
"1630504"	1396.279466	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Na-2H"	20.974666
"101565"	1392.285863	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M-H+Cl"	33.962126
"538943"	2079.938263	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M-H+Cl"	33.962126
"933553"	704.633463	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-H+Cl"	33.962126
"274296"	2785.579002	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+Cl"	34.969402
"670000"	4160.883802	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+Cl"	34.969402
"1279124"	1410.274202	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Cl"	34.969402
"26058"	2787.558206	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M-2H+K"	36.948606
"462337"	4162.863006	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M-2H+K"	36.948606
"839045"	1412.253406	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-2H+K"	36.948606
"1560345"	1412.253406	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+K-2H"	36.948606
"950418"	1420.302994	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-H+HCOOH"	44.998194
"365352"	2795.607801	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+HCOOH-H"	44.998201
"350325"	2809.623451	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+Hac-H"	59.013851
"1496972"	1434.318651	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Hac-H"	59.013851
"963421"	1442.284951	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-H+NaCOOH"	66.980151
"114882"	1410.274202	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+2Cl"	69.938804
"556266"	2097.926602	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+2Cl"	69.938804
"1027255"	722.621802	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2Cl"	69.938804
"1243187"	1454.223685	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Br"	78.918885
"1306364"	1456.279672	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Cl+HCOOH"	80.974872
"1322039"	1478.261629	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Cl+NaCOOH"	102.956829
"913097"	1488.290386	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M-H+CF3COOH"	112.985586
"1288830"	1524.267064	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Cl+CF3COOH"	148.962264
"1371611"	1340.292124	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H-2H2O"	-35.012676
"1385098"	1358.3021	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H-H2O"	-17.0027
"284422"	2751.616876	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+H"	1.007276
"684504"	4126.921676	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+H"	1.007276
"1361946"	1376.312076	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H"	1.007276
"130460"	1376.312076	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+2H"	2.014552
"572207"	2063.964476	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+2H"	2.014552
"1044287"	688.659676	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2H"	2.014552
"215469"	917.877142666667	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+3H"	3.021828
"653936"	1376.312076	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+3H"	3.021828
"1167689"	459.442209333333	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+3H"	3.021828
"430962"	2768.643423	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+NH4"	18.033823
"797422"	4143.948223	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+NH4"	18.033823
"1691566"	1393.338623	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+NH4"	18.033823
"339844"	1384.8253495	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+H+NH4"	19.041099
"732264"	2072.4777495	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+H+NH4"	19.041099
"1486086"	697.1729495	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H+NH4"	19.041099
"401484"	2773.598818	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+Na"	22.989218
"760295"	4148.903618	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+Na"	22.989218
"1608392"	1398.294018	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Na"	22.989218
"315517"	1387.303047	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+H+Na"	23.996494
"707687"	2074.955447	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+H+Na"	23.996494
"1462484"	699.650647	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H+Na"	23.996494
"1052973"	466.769523333333	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2H+Na"	25.00377
"1257652"	1408.338286	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+CH3OH+H"	33.033486
"378174"	2789.572758	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+K"	38.963158
"739002"	4164.877558	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+K"	38.963158
"1546690"	1414.267958	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+K"	38.963158
"303501"	1395.290017	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+H+K"	39.970434
"697383"	2082.942417	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+H+K"	39.970434
"1450475"	707.637617	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H+K"	39.970434
"239441"	2792.643426	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+ACN+H"	42.033826
"1214338"	1417.338626	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+ACN+H"	42.033826
"1197127"	709.172951	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+ACN+2H"	43.041102
"193644"	2795.58076	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+2Na-H"	44.97116
"634301"	4170.88556	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+2Na-H"	44.97116
"1137811"	1420.27596	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2Na-H"	44.97116
"181834"	1398.294018	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+2Na"	45.978436
"624309"	2085.946418	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+2Na"	45.978436
"1126357"	710.641618	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2Na"	45.978436
"1407331"	474.096837333333	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H+2Na"	46.985712
"1434344"	1422.317546	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H+HCOOH"	47.012746
"226955"	1403.32704	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+3H2O+2H"	56.04448
"1515382"	1436.36959	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+IsoProp+H"	61.06479
"420901"	1406.280988	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+Na+K"	61.952376
"779344"	2093.933388	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+Na+K"	61.952376
"1676408"	718.628588	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Na+K"	61.952376
"261106"	2814.625368	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+ACN+Na"	64.015768
"1234909"	1439.320568	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+ACN+Na"	64.015768
"1723796"	1439.344093	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+NH4+HCOOH"	64.039293
"1182954"	481.424151333333	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+3Na"	68.967654
"1662324"	1444.299488	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Na+HCOOH"	68.994688
"169184"	2827.52864	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+2K-H"	76.91904
"605466"	4202.83344	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+2K-H"	76.91904
"1095444"	1452.22384	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2K-H"	76.91904
"155542"	1414.267958	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"2M+2K"	77.926316
"597085"	2101.920358	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"3M+2K"	77.926316
"1083507"	726.615558	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2K"	77.926316
"1115584"	1454.238392	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2K+H"	78.933592
"1351144"	1454.326007	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+DMSO+H"	79.021207
"1021337"	1458.365176	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2ACN+H"	83.060376
"1536954"	1459.358808	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+IsoProp+Na+H"	84.054008
"999028"	729.686226	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+2ACN+2H"	84.067652
"1601432"	1460.273428	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+K+HCOOH"	84.968628
"1420288"	1490.304938	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+H+CF3COOH"	115.000138
"1149485"	750.199501	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+3ACN+2H"	125.094202
"1702317"	1507.331485	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+NH4+CF3COOH"	132.026685
"1645623"	1512.28688	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+Na+CF3COOH"	136.98208
"1580182"	1528.26082	"C12131"	"Anemone blue anthocyanin 2"	"C60H63O37"	"1375.3048"	"M+K+CF3COOH"	152.95602
"816385"	1507.3107	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M"	0
"985546"	1488.29231	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-H2O-H"	-19.01839
"70142"	1003.866524	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M-3H"	-3.021828
"507515"	1506.303424	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M-3H"	-3.021828
"885316"	501.429624	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-3H"	-3.021828
"2798"	1506.303424	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M-2H"	-2.014552
"442357"	2259.958774	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M-2H"	-2.014552
"819060"	752.648074	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-2H"	-2.014552
"80514"	3013.614124	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M-H"	-1.007276
"521895"	4520.924824	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M-H"	-1.007276
"898968"	1506.303424	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-H"	-1.007276
"49335"	3030.640671	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M-2H+NH4"	16.019271
"490354"	4537.951371	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M-2H+NH4"	16.019271
"867425"	1523.329971	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-2H+NH4"	16.019271
"38249"	3035.596066	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M-2H+Na"	20.974666
"478903"	4542.906766	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M-2H+Na"	20.974666
"858894"	1528.285366	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-2H+Na"	20.974666
"1626241"	1528.285366	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Na-2H"	20.974666
"104956"	1524.291763	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M-H+Cl"	33.962126
"535773"	2277.947113	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M-H+Cl"	33.962126
"933663"	770.636413	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-H+Cl"	33.962126
"274406"	3049.590802	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+Cl"	34.969402
"670110"	4556.901502	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+Cl"	34.969402
"1279234"	1542.280102	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Cl"	34.969402
"23982"	3051.570006	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M-2H+K"	36.948606
"461355"	4558.880706	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M-2H+K"	36.948606
"838062"	1544.259306	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-2H+K"	36.948606
"1562644"	1544.259306	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+K-2H"	36.948606
"950528"	1552.308894	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-H+HCOOH"	44.998194
"365462"	3059.619601	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+HCOOH-H"	44.998201
"348614"	3073.635251	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+Hac-H"	59.013851
"1495261"	1566.324551	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Hac-H"	59.013851
"963897"	1574.290851	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-H+NaCOOH"	66.980151
"114992"	1542.280102	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+2Cl"	69.938804
"556375"	2295.935452	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+2Cl"	69.938804
"1028458"	788.624752	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2Cl"	69.938804
"1243662"	1586.229585	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Br"	78.918885
"1306475"	1588.285572	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Cl+HCOOH"	80.974872
"1320689"	1610.267529	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Cl+NaCOOH"	102.956829
"912109"	1620.296286	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M-H+CF3COOH"	112.985586
"1289915"	1656.272964	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Cl+CF3COOH"	148.962264
"1368442"	1472.298024	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H-2H2O"	-35.012676
"1385209"	1490.308	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H-H2O"	-17.0027
"284532"	3015.628676	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+H"	1.007276
"684614"	4522.939376	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+H"	1.007276
"1360964"	1508.317976	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H"	1.007276
"136039"	1508.317976	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+2H"	2.014552
"570132"	2261.973326	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+2H"	2.014552
"1041119"	754.662626	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2H"	2.014552
"213393"	1005.881076	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+3H"	3.021828
"648945"	1508.317976	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+3H"	3.021828
"1167800"	503.444176	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+3H"	3.021828
"433258"	3032.655223	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+NH4"	18.033823
"800328"	4539.965923	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+NH4"	18.033823
"1696621"	1525.344523	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+NH4"	18.033823
"338859"	1516.8312495	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+H+NH4"	19.041099
"734561"	2270.4865995	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+H+NH4"	19.041099
"1486196"	763.1758995	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H+NH4"	19.041099
"401598"	3037.610618	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+Na"	22.989218
"760403"	4544.921318	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+Na"	22.989218
"1606319"	1530.299918	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Na"	22.989218
"314895"	1519.308947	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+H+Na"	23.996494
"707431"	2272.964297	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+H+Na"	23.996494
"1464782"	765.653597	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H+Na"	23.996494
"1055840"	510.77149	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2H+Na"	25.00377
"1261893"	1540.344186	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+CH3OH+H"	33.033486
"380833"	3053.584558	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+K"	38.963158
"744745"	4560.895258	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+K"	38.963158
"1545707"	1546.273858	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+K"	38.963158
"308353"	1527.295917	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+H+K"	39.970434
"698587"	2280.951267	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+H+K"	39.970434
"1448398"	773.640567	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H+K"	39.970434
"237364"	3056.655226	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+ACN+H"	42.033826
"1214448"	1549.344526	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+ACN+H"	42.033826
"1196509"	775.175901	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+ACN+2H"	43.041102
"191203"	3059.59256	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+2Na-H"	44.97116
"632951"	4566.90326	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+2Na-H"	44.97116
"1136457"	1552.28186	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2Na-H"	44.97116
"183039"	1530.299918	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+2Na"	45.978436
"622599"	2283.955268	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+2Na"	45.978436
"1125013"	776.644568	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2Na"	45.978436
"1407442"	518.098804	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H+2Na"	46.985712
"1433360"	1554.323446	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H+HCOOH"	47.012746
"228887"	1535.33294	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+3H2O+2H"	56.04448
"1519501"	1568.37549	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+IsoProp+H"	61.06479
"417731"	1538.286888	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+Na+K"	61.952376
"778365"	2291.942238	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+Na+K"	61.952376
"1669229"	784.631538	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Na+K"	61.952376
"257937"	3078.637168	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+ACN+Na"	64.015768
"1237207"	1571.326468	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+ACN+Na"	64.015768
"1722812"	1571.349993	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+NH4+HCOOH"	64.039293
"1182335"	525.426118	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+3Na"	68.967654
"1654049"	1576.305388	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Na+HCOOH"	68.994688
"164922"	3091.54044	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+2K-H"	76.91904
"602297"	4598.85114	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+2K-H"	76.91904
"1094460"	1584.22974	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2K-H"	76.91904
"152372"	1546.273858	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"2M+2K"	77.926316
"595948"	2299.929208	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"3M+2K"	77.926316
"1083374"	792.618508	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2K"	77.926316
"1114762"	1586.244292	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2K+H"	78.933592
"1349320"	1586.331907	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+DMSO+H"	79.021207
"1020523"	1590.371076	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2ACN+H"	83.060376
"1533784"	1591.364708	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+IsoProp+Na+H"	84.054008
"992578"	795.689176	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+2ACN+2H"	84.067652
"1593642"	1592.279328	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+K+HCOOH"	84.968628
"1418212"	1622.310838	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+H+CF3COOH"	115.000138
"1157252"	816.202451	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+3ACN+2H"	125.094202
"1707896"	1639.337385	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+NH4+CF3COOH"	132.026685
"1645733"	1644.29278	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+Na+CF3COOH"	136.98208
"1580292"	1660.26672	"C12132"	"Anemone blue anthocyanin 3"	"C64H67O42"	"1507.3107"	"M+K+CF3COOH"	152.95602
"810658"	1331.2786	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M"	0
"988571"	1312.26021	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-H2O-H"	-19.01839
"75719"	886.511790666667	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M-3H"	-3.021828
"514185"	1330.271324	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M-3H"	-3.021828
"893081"	442.752257333333	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-3H"	-3.021828
"14571"	1330.271324	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M-2H"	-2.014552
"450122"	1995.910624	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M-2H"	-2.014552
"824643"	664.632024	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-2H"	-2.014552
"85728"	2661.549924	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M-H"	-1.007276
"523099"	3992.828524	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M-H"	-1.007276
"898714"	1330.271324	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-H"	-1.007276
"51269"	2678.576471	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M-2H+NH4"	16.019271
"491194"	4009.855071	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M-2H+NH4"	16.019271
"868265"	1347.297871	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-2H+NH4"	16.019271
"36171"	2683.531866	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M-2H+Na"	20.974666
"479013"	4014.810466	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M-2H+Na"	20.974666
"862893"	1352.253266	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-2H+Na"	20.974666
"1626352"	1352.253266	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Na-2H"	20.974666
"105068"	1348.259663	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M-H+Cl"	33.962126
"540258"	2013.898963	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M-H+Cl"	33.962126
"933772"	682.620363	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-H+Cl"	33.962126
"277796"	2697.526602	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+Cl"	34.969402
"668036"	4028.805202	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+Cl"	34.969402
"1282626"	1366.248002	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Cl"	34.969402
"25188"	2699.505806	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M-2H+K"	36.948606
"463655"	4030.784406	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M-2H+K"	36.948606
"842550"	1368.227206	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-2H+K"	36.948606
"1562757"	1368.227206	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+K-2H"	36.948606
"952827"	1376.276794	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-H+HCOOH"	44.998194
"369948"	2707.555401	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+HCOOH-H"	44.998201
"356017"	2721.571051	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+Hac-H"	59.013851
"1499381"	1390.292451	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Hac-H"	59.013851
"965831"	1398.258751	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-H+NaCOOH"	66.980151
"119113"	1366.248002	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+2Cl"	69.938804
"557580"	2031.887302	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+2Cl"	69.938804
"1027111"	700.608702	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2Cl"	69.938804
"1247784"	1410.197485	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Br"	78.918885
"1308409"	1412.253472	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Cl+HCOOH"	80.974872
"1321531"	1434.235429	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Cl+NaCOOH"	102.956829
"914778"	1444.264186	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M-H+CF3COOH"	112.985586
"1298044"	1480.240864	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Cl+CF3COOH"	148.962264
"1369768"	1296.265924	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H-2H2O"	-35.012676
"1384956"	1314.2759	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H-H2O"	-17.0027
"284399"	2663.564476	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+H"	1.007276
"682536"	3994.843076	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+H"	1.007276
"1353415"	1332.285876	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H"	1.007276
"128494"	1332.285876	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+2H"	2.014552
"566959"	1997.925176	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+2H"	2.014552
"1039042"	666.646576	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2H"	2.014552
"208035"	888.526342666667	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+3H"	3.021828
"648691"	1332.285876	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+3H"	3.021828
"1167909"	444.766809333333	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+3H"	3.021828
"439565"	2680.591023	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+NH4"	18.033823
"798736"	4011.869623	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+NH4"	18.033823
"1696160"	1349.312423	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+NH4"	18.033823
"341157"	1340.7991495	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+H+NH4"	19.041099
"732485"	2006.4384495	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+H+NH4"	19.041099
"1486307"	675.1598495	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H+NH4"	19.041099
"403895"	2685.546418	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+Na"	22.989218
"761608"	4016.825018	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+Na"	22.989218
"1608616"	1354.267818	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Na"	22.989218
"318655"	1343.276847	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+H+Na"	23.996494
"711072"	2008.916147	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+H+Na"	23.996494
"1467079"	677.637547	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H+Na"	23.996494
"1058138"	452.094123333333	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2H+Na"	25.00377
"1265286"	1364.312086	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+CH3OH+H"	33.033486
"380946"	2701.520358	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+K"	38.963158
"747044"	4032.798958	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+K"	38.963158
"1549097"	1370.241758	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+K"	38.963158
"308462"	1351.263817	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+H+K"	39.970434
"701976"	2016.903117	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+H+K"	39.970434
"1450330"	685.624517	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H+K"	39.970434
"241119"	2704.591026	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+ACN+H"	42.033826
"1219294"	1373.312426	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+ACN+H"	42.033826
"1200263"	687.159851	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+ACN+2H"	43.041102
"194228"	2707.52836	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+2Na-H"	44.97116
"632696"	4038.80696	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+2Na-H"	44.97116
"1134016"	1376.24976	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2Na-H"	44.97116
"175492"	1354.267818	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+2Na"	45.978436
"616512"	2019.907118	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+2Na"	45.978436
"1117832"	688.628518	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2Na"	45.978436
"1401354"	459.421437333333	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H+2Na"	46.985712
"1433470"	1378.291346	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H+HCOOH"	47.012746
"226444"	1359.30084	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+3H2O+2H"	56.04448
"1514507"	1392.34339	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+IsoProp+H"	61.06479
"414195"	1362.254788	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+Na+K"	61.952376
"776285"	2027.894088	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+Na+K"	61.952376
"1672619"	696.615488	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Na+K"	61.952376
"259141"	2726.572968	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+ACN+Na"	64.015768
"1232945"	1395.294368	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+ACN+Na"	64.015768
"1721829"	1395.317893	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+NH4+HCOOH"	64.039293
"1180620"	466.748751333333	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+3Na"	68.967654
"1651971"	1400.273288	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Na+HCOOH"	68.994688
"162843"	2739.47624	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+2K-H"	76.91904
"603133"	4070.75484	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+2K-H"	76.91904
"1091292"	1408.19764	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2K-H"	76.91904
"155642"	1370.241758	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"2M+2K"	77.926316
"595203"	2035.881058	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"3M+2K"	77.926316
"1082995"	704.602458	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2K"	77.926316
"1114873"	1410.212192	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2K+H"	78.933592
"1348334"	1410.299807	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+DMSO+H"	79.021207
"1016865"	1414.338976	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2ACN+H"	83.060376
"1525874"	1415.332608	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+IsoProp+Na+H"	84.054008
"993781"	707.673126	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+2ACN+2H"	84.067652
"1591566"	1416.247228	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+K+HCOOH"	84.968628
"1417229"	1446.278738	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+H+CF3COOH"	115.000138
"1157362"	728.186401	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+3ACN+2H"	125.094202
"1708006"	1463.305285	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+NH4+CF3COOH"	132.026685
"1645843"	1468.26068	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+Na+CF3COOH"	136.98208
"1580402"	1484.23462	"C12133"	"Anemone blue anthocyanin 4"	"C58H59O36"	"1331.2786"	"M+K+CF3COOH"	152.95602
"801559"	286.0477	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M"	0
"987585"	267.02931	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"76922"	189.691190666667	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"511015"	285.040424	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"892096"	94.3419573333333	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"7389"	285.040424	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"446950"	428.064274	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"820743"	142.016574	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"83652"	571.088124	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"520658"	857.135824	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"897002"	285.040424	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"49921"	588.114671	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"490210"	874.162371	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"867282"	302.066971	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"36282"	593.070066	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"479123"	879.117766	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"863246"	307.022366	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1626462"	307.022366	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"106271"	303.028763	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"542555"	446.052613	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"932789"	160.004913	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"277906"	607.064802	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"670332"	893.112502	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1282736"	321.017102	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"24203"	609.044006	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"463763"	895.091706	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"842659"	322.996306	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1563960"	322.996306	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"951841"	331.045894	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"368964"	617.093601	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"350659"	631.109251	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1498397"	345.061551	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"967033"	353.027851	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"120316"	321.017102	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"557690"	464.040952	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1026127"	177.993252	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1246801"	364.966585	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1306696"	367.022572	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1322371"	389.004529	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"913794"	399.033286	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1288480"	435.009964	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1367932"	251.035024	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1383604"	269.045	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"284021"	573.102676	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"681552"	859.150376	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1353161"	287.054976	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"126414"	287.054976	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"567797"	430.078826	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1038054"	144.031126	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"206321"	191.705742666667	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"646614"	287.054976	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1169112"	96.3565093333333	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"432384"	590.129223	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"793379"	876.176923	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1692990"	304.081523	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"341267"	295.5682495	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"733689"	438.5920995	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1484230"	152.5443995	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"399630"	595.084618	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"758438"	881.132318	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1606540"	309.036918	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"316578"	298.045947	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"709358"	441.069797	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1467189"	155.022097	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1055332"	103.683823333333	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1262479"	319.081186	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"380326"	611.058558	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"742415"	897.106258	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1547385"	325.010858	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"309666"	306.032917	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"703180"	449.056767	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1448253"	163.009067	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"237948"	614.129226	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1213937"	328.081526	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1197822"	164.544401	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"192516"	617.06656	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"630255"	903.11426	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1135583"	331.01886	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"176329"	309.036918	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"615528"	452.060768	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1123409"	166.013068	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1400733"	111.011137333333	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1430663"	333.060446	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"228740"	314.06994	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1515711"	347.11249	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"414305"	317.023888	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"778581"	460.047738	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1672727"	174.000038	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"257427"	636.111168	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1230868"	350.063468	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1720845"	350.086993	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1179310"	118.338451333333	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1651354"	355.042388	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"157522"	649.01444	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"602513"	935.06214	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1089215"	362.96674	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"146032"	325.010858	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"595313"	468.034708	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1081039"	181.987008	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1113155"	364.981292	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1346257"	365.068907	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1012601"	369.108076	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1524198"	370.101708	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"990609"	185.057676	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1588396"	371.016328	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1414460"	401.047838	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1154192"	205.570951	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1701556"	418.074385	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1642673"	423.02978	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1580512"	439.00372	"C12134"	"2-Hydroxygenistein;2457-Tetrahydroxyisoflavone"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"803223"	300.0634	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M"	0
"986602"	281.04501	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"72660"	199.034990666667	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"511125"	299.056124	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"892206"	99.0138573333333	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"7499"	299.056124	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"447060"	449.087824	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"819396"	149.024424	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"82669"	599.119524	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"522228"	899.182924	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"897840"	299.056124	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"49301"	616.146071	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"488133"	916.209471	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"867026"	316.082671	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"32740"	621.101466	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"475586"	921.164866	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"854120"	321.038066	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1626572"	321.038066	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"103101"	317.044463	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"542665"	467.076163	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"932899"	167.012763	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"276923"	635.096202	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"672265"	935.159602	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1282846"	335.032802	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"24313"	637.075406	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"463873"	937.138806	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"843862"	337.012006	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1566256"	337.012006	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"950858"	345.061594	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"371260"	645.125001	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"354049"	659.140651	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1500694"	359.077251	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"968237"	367.043551	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"120426"	335.032802	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"558893"	485.064502	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1024778"	185.001102	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1245088"	378.982285	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1304250"	381.038272	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1321023"	403.020229	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"913176"	413.048986	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1289520"	449.025664	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1368773"	265.050724	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1384808"	283.0607	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"284255"	601.134076	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"681662"	901.197476	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1353271"	301.070676	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"126524"	301.070676	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"568273"	451.102376	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1037310"	151.038976	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"205337"	201.049542666667	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"652191"	301.070676	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1170316"	101.028409333333	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"436868"	618.160623	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"796769"	918.224023	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1692007"	318.097223	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"342471"	309.5839495	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"731612"	459.6156495	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1485432"	159.5522495	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"404114"	623.116018	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"757456"	923.179418	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1606651"	323.052618	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"316688"	312.061647	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"708617"	462.093347	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1466206"	162.029947	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1055805"	108.355723333333	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1260039"	333.096886	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"380073"	639.089958	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"743983"	939.153358	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1544215"	339.026558	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"308682"	320.048617	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"700009"	470.080317	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1452736"	170.016917	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"239516"	642.160626	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1214046"	342.097226	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1200118"	171.552251	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"194083"	645.09796	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"631821"	945.16136	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1133870"	345.03456	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"180445"	323.052618	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"621099"	473.084318	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1116102"	173.020918	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1404856"	115.683037333333	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1430773"	347.076146	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"229944"	328.08564	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1516915"	361.12819	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"414414"	331.039588	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"778691"	481.071288	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1673931"	181.007888	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"256077"	664.142568	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1233163"	364.079168	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1720955"	364.102693	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1179501"	123.010351333333	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1654380"	369.058088	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"162700"	677.04584	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"600802"	977.10924	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1090053"	376.98244	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"147235"	339.026558	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"591168"	489.058258	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1080055"	188.994858	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1114237"	378.996992	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1346368"	379.084607	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1013802"	383.123776	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1528647"	384.117408	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"991086"	192.065526	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1587170"	385.032028	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1414361"	415.063538	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1154302"	212.578801	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1700572"	432.090085	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1642783"	437.04548	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1580622"	453.01942	"C12135"	"2-Hydroxybiochanin A;Dehydroferreirin"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"804427"	306.074	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M"	0
"984525"	287.05561	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-H2O-H"	-19.01839
"67301"	203.042057333333	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M-3H"	-3.021828
"509046"	305.066724	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M-3H"	-3.021828
"892316"	101.017390666667	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-3H"	-3.021828
"8706"	305.066724	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M-2H"	-2.014552
"446079"	458.103724	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M-2H"	-2.014552
"822787"	152.029724	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-2H"	-2.014552
"80226"	611.140724	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M-H"	-1.007276
"520513"	917.214724	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M-H"	-1.007276
"897219"	305.066724	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-H"	-1.007276
"48070"	628.167271	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M-2H+NH4"	16.019271
"488237"	934.241271	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M-2H+NH4"	16.019271
"865311"	322.093271	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-2H+NH4"	16.019271
"33576"	633.122666	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M-2H+Na"	20.974666
"472407"	939.196666	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M-2H+Na"	20.974666
"850213"	327.048666	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-2H+Na"	20.974666
"1620113"	327.048666	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Na-2H"	20.974666
"101021"	323.055063	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M-H+Cl"	33.962126
"546051"	476.092063	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M-H+Cl"	33.962126
"934099"	170.018063	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-H+Cl"	33.962126
"278124"	647.117402	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+Cl"	34.969402
"667271"	953.191402	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+Cl"	34.969402
"1282955"	341.043402	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Cl"	34.969402
"22237"	649.096606	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M-2H+K"	36.948606
"463983"	955.170606	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M-2H+K"	36.948606
"837411"	343.022606	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-2H+K"	36.948606
"1564179"	343.022606	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+K-2H"	36.948606
"947688"	351.072194	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-H+HCOOH"	44.998194
"369182"	657.146201	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+HCOOH-H"	44.998201
"351973"	671.161851	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+Hac-H"	59.013851
"1497889"	365.087851	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Hac-H"	59.013851
"967254"	373.054151	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-H+NaCOOH"	66.980151
"119442"	341.043402	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+2Cl"	69.938804
"560096"	494.080402	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+2Cl"	69.938804
"1024525"	188.006402	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2Cl"	69.938804
"1246657"	384.992885	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Br"	78.918885
"1304523"	387.048872	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Cl+HCOOH"	80.974872
"1321862"	409.030829	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Cl+NaCOOH"	102.956829
"912557"	419.059586	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M-H+CF3COOH"	112.985586
"1288981"	455.036264	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Cl+CF3COOH"	148.962264
"1368155"	271.061324	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H-2H2O"	-35.012676
"1385284"	289.0713	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H-H2O"	-17.0027
"283515"	613.155276	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+H"	1.007276
"679586"	919.229276	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+H"	1.007276
"1357028"	307.081276	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H"	1.007276
"127366"	307.081276	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+2H"	2.014552
"566027"	460.118276	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+2H"	2.014552
"1037338"	154.044276	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2H"	2.014552
"205813"	205.056609333333	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+3H"	3.021828
"649020"	307.081276	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+3H"	3.021828
"1167145"	103.031942666667	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+3H"	3.021828
"433699"	630.181823	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+NH4"	18.033823
"792506"	936.255823	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+NH4"	18.033823
"1692117"	324.107823	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+NH4"	18.033823
"336021"	315.5945495	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+H+NH4"	19.041099
"730629"	468.6315495	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+H+NH4"	19.041099
"1483358"	162.5575495	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H+NH4"	19.041099
"400943"	635.137218	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+Na"	22.989218
"763031"	941.211218	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+Na"	22.989218
"1608940"	329.063218	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Na"	22.989218
"317884"	318.072247	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+H+Na"	23.996494
"707256"	471.109247	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+H+Na"	23.996494
"1461363"	165.035247	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H+Na"	23.996494
"1052815"	110.359256666667	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2H+Na"	25.00377
"1259419"	339.107486	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+CH3OH+H"	33.033486
"385284"	651.111158	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+K"	38.963158
"739029"	957.185158	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+K"	38.963158
"1546149"	345.037158	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+K"	38.963158
"302232"	326.059217	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+H+K"	39.970434
"695746"	479.096217	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+H+K"	39.970434
"1448838"	173.022217	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H+K"	39.970434
"240354"	654.181826	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+ACN+H"	42.033826
"1211969"	348.107826	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+ACN+H"	42.033826
"1196219"	174.557551	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+ACN+2H"	43.041102
"192007"	657.11916	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+2Na-H"	44.97116
"631204"	963.19316	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+2Na-H"	44.97116
"1133616"	351.04516	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2Na-H"	44.97116
"177275"	329.063218	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+2Na"	45.978436
"621209"	482.100218	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+2Na"	45.978436
"1116212"	176.026218	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2Na"	45.978436
"1399010"	117.686570666667	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H+2Na"	46.985712
"1430883"	353.086746	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H+HCOOH"	47.012746
"230054"	334.09624	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+3H2O+2H"	56.04448
"1513743"	367.13879	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+IsoProp+H"	61.06479
"414524"	337.050188	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+Na+K"	61.952376
"776616"	490.087188	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+Na+K"	61.952376
"1670761"	184.013188	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Na+K"	61.952376
"255095"	676.163768	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+ACN+Na"	64.015768
"1234366"	370.089768	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+ACN+Na"	64.015768
"1721065"	370.113293	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+NH4+HCOOH"	64.039293
"1178530"	125.013884666667	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+3Na"	68.967654
"1652303"	375.068688	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Na+HCOOH"	68.994688
"166454"	689.06704	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+2K-H"	76.91904
"601644"	995.14104	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+2K-H"	76.91904
"1092716"	382.99304	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2K-H"	76.91904
"152812"	345.037158	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"2M+2K"	77.926316
"592371"	498.074158	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"3M+2K"	77.926316
"1081258"	192.000158	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2K"	77.926316
"1113374"	385.007592	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2K+H"	78.933592
"1346478"	385.095207	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+DMSO+H"	79.021207
"1013914"	389.134376	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2ACN+H"	83.060376
"1527665"	390.128008	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+IsoProp+Na+H"	84.054008
"992289"	195.070826	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+2ACN+2H"	84.067652
"1587281"	391.042628	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+K+HCOOH"	84.968628
"1418653"	421.074138	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+H+CF3COOH"	115.000138
"1151496"	215.584101	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+3ACN+2H"	125.094202
"1699953"	438.100685	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+NH4+CF3COOH"	132.026685
"1642893"	443.05608	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+Na+CF3COOH"	136.98208
"1580732"	459.03002	"C12136"	"(-)-Epigallocatechin;Epigallocatechol"	"C15H14O7"	"306.074"	"M+K+CF3COOH"	152.95602
"802227"	433.1135	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M"	0
"987918"	414.09511	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-H2O-H"	-19.01839
"67411"	287.735057333333	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M-3H"	-3.021828
"508063"	432.106224	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M-3H"	-3.021828
"889146"	143.363890666667	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-3H"	-3.021828
"9909"	432.106224	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M-2H"	-2.014552
"446190"	648.662974	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M-2H"	-2.014552
"821803"	215.549474	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-2H"	-2.014552
"79972"	865.219724	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M-H"	-1.007276
"520258"	1298.333224	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M-H"	-1.007276
"898059"	432.106224	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-H"	-1.007276
"48789"	882.246271	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M-2H+NH4"	16.019271
"488468"	1315.359771	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M-2H+NH4"	16.019271
"866515"	449.132771	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-2H+NH4"	16.019271
"33319"	887.201666	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M-2H+Na"	20.974666
"472881"	1320.315166	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M-2H+Na"	20.974666
"852880"	454.088166	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-2H+Na"	20.974666
"1623507"	454.088166	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Na-2H"	20.974666
"103318"	450.094563	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M-H+Cl"	33.962126
"545797"	666.651313	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M-H+Cl"	33.962126
"937125"	233.537813	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-H+Cl"	33.962126
"278234"	901.196402	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+Cl"	34.969402
"667381"	1334.309902	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+Cl"	34.969402
"1281972"	468.082902	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Cl"	34.969402
"23441"	903.175606	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M-2H+K"	36.948606
"465187"	1336.289106	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M-2H+K"	36.948606
"836428"	470.062106	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-2H+K"	36.948606
"1563196"	470.062106	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+K-2H"	36.948606
"952171"	478.111694	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-H+HCOOH"	44.998194
"368199"	911.225201	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+HCOOH-H"	44.998201
"352083"	925.240851	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+Hac-H"	59.013851
"1497636"	492.127351	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Hac-H"	59.013851
"966271"	500.093651	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-H+NaCOOH"	66.980151
"121739"	468.082902	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+2Cl"	69.938804
"559113"	684.639652	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+2Cl"	69.938804
"1029010"	251.526152	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2Cl"	69.938804
"1245308"	512.032385	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Br"	78.918885
"1307394"	514.088372	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Cl+HCOOH"	80.974872
"1320879"	536.070329	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Cl+NaCOOH"	102.956829
"914125"	546.099086	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M-H+CF3COOH"	112.985586
"1289051"	582.075764	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Cl+CF3COOH"	148.962264
"1368995"	398.100824	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H-2H2O"	-35.012676
"1383211"	416.1108	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H-H2O"	-17.0027
"285084"	867.234276	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+H"	1.007276
"681883"	1300.347776	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+H"	1.007276
"1354951"	434.120776	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H"	1.007276
"128935"	434.120776	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+2H"	2.014552
"566668"	650.677526	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+2H"	2.014552
"1038264"	217.564026	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2H"	2.014552
"205192"	289.749609333333	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+3H"	3.021828
"651317"	434.120776	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+3H"	3.021828
"1170536"	145.378442666667	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+3H"	3.021828
"433809"	884.260823	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+NH4"	18.033823
"794802"	1317.374323	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+NH4"	18.033823
"1693320"	451.147323	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+NH4"	18.033823
"337224"	442.6340495	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+H+NH4"	19.041099
"731832"	659.1907995	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+H+NH4"	19.041099
"1484560"	226.0772995	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H+NH4"	19.041099
"401053"	889.216218	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+Na"	22.989218
"764235"	1322.329718	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+Na"	22.989218
"1606135"	456.102718	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Na"	22.989218
"320181"	445.111747	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+H+Na"	23.996494
"707612"	661.668497	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+H+Na"	23.996494
"1461563"	228.554997	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H+Na"	23.996494
"1052789"	152.705756666667	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2H+Na"	25.00377
"1259893"	466.146986	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+CH3OH+H"	33.033486
"379925"	905.190158	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+K"	38.963158
"740194"	1338.303658	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+K"	38.963158
"1540791"	472.076658	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+K"	38.963158
"305622"	453.098717	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+H+K"	39.970434
"696949"	669.655467	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+H+K"	39.970434
"1446395"	236.541967	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H+K"	39.970434
"236454"	908.260826	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+ACN+H"	42.033826
"1211716"	475.147326	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+ACN+H"	42.033826
"1195600"	238.077301	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+ACN+2H"	43.041102
"190658"	911.19816	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+2Na-H"	44.97116
"631313"	1344.31166	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+2Na-H"	44.97116
"1133118"	478.08466	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2Na-H"	44.97116
"174827"	456.102718	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+2Na"	45.978436
"614752"	672.659468	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+2Na"	45.978436
"1116325"	239.545968	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2Na"	45.978436
"1405072"	160.033070666667	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H+2Na"	46.985712
"1438284"	480.126246	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H+HCOOH"	47.012746
"224699"	461.13574	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+3H2O+2H"	56.04448
"1514947"	494.17829	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+IsoProp+H"	61.06479
"414634"	464.089688	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+Na+K"	61.952376
"773444"	680.646438	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+Na+K"	61.952376
"1671963"	247.532938	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Na+K"	61.952376
"256298"	930.242768	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+ACN+Na"	64.015768
"1233383"	497.129268	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+ACN+Na"	64.015768
"1722268"	497.152793	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+NH4+HCOOH"	64.039293
"1187625"	167.360384666667	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+3Na"	68.967654
"1657517"	502.108188	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Na+HCOOH"	68.994688
"161461"	943.14604	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+2K-H"	76.91904
"602845"	1376.25954	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+2K-H"	76.91904
"1091731"	510.03254	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2K-H"	76.91904
"151826"	472.076658	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"2M+2K"	77.926316
"589200"	688.633408	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"3M+2K"	77.926316
"1080274"	255.519908	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2K"	77.926316
"1113483"	512.047092	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2K+H"	78.933592
"1344400"	512.134707	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+DMSO+H"	79.021207
"1012932"	516.173876	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2ACN+H"	83.060376
"1526683"	517.167508	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+IsoProp+Na+H"	84.054008
"990578"	258.590576	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+2ACN+2H"	84.067652
"1589822"	518.082128	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+K+HCOOH"	84.968628
"1418763"	548.113638	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+H+CF3COOH"	115.000138
"1153428"	279.103851	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+3ACN+2H"	125.094202
"1702978"	565.140185	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+NH4+CF3COOH"	132.026685
"1643003"	570.09558	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+Na+CF3COOH"	136.98208
"1580842"	586.06952	"C12137"	"Pelargonidin 3-O-glucoside;Pelargonidin 3-glucoside;Pelargonidin 3-O-beta-D-glucoside"	"C21H21O10"	"433.1135"	"M+K+CF3COOH"	152.95602
"804647"	465.1033	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M"	0
"989326"	446.08491	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-H2O-H"	-19.01839
"69706"	309.061590666667	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M-3H"	-3.021828
"508174"	464.096024	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M-3H"	-3.021828
"889256"	154.027157333333	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-3H"	-3.021828
"6738"	464.096024	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M-2H"	-2.014552
"447392"	696.647674	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M-2H"	-2.014552
"823006"	231.544374	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-2H"	-2.014552
"82997"	929.199324	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M-H"	-1.007276
"522558"	1394.302624	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M-H"	-1.007276
"899266"	464.096024	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-H"	-1.007276
"50358"	946.225871	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M-2H+NH4"	16.019271
"489188"	1411.329171	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M-2H+NH4"	16.019271
"866018"	481.122571	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-2H+NH4"	16.019271
"33918"	951.181266	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M-2H+Na"	20.974666
"473236"	1416.284566	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M-2H+Na"	20.974666
"852990"	486.077966	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-2H+Na"	20.974666
"1623617"	486.077966	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Na-2H"	20.974666
"104521"	482.084363	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M-H+Cl"	33.962126
"546636"	714.636013	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M-H+Cl"	33.962126
"934319"	249.532713	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-H+Cl"	33.962126
"273969"	965.176002	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+Cl"	34.969402
"669678"	1430.279302	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+Cl"	34.969402
"1284269"	500.072702	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Cl"	34.969402
"22458"	967.155206	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M-2H+K"	36.948606
"462017"	1432.258506	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M-2H+K"	36.948606
"839818"	502.051906	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-2H+K"	36.948606
"1560025"	502.051906	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+K-2H"	36.948606
"950094"	510.101494	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-H+HCOOH"	44.998194
"367215"	975.204801	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+HCOOH-H"	44.998201
"352193"	989.220451	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+Hac-H"	59.013851
"1499933"	524.117151	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Hac-H"	59.013851
"966381"	532.083451	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-H+NaCOOH"	66.980151
"118569"	500.072702	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+2Cl"	69.938804
"556306"	732.624352	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+2Cl"	69.938804
"1025109"	267.521052	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2Cl"	69.938804
"1251979"	544.022185	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Br"	78.918885
"1310419"	546.078172	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Cl+HCOOH"	80.974872
"1329737"	568.060129	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Cl+NaCOOH"	102.956829
"913871"	578.088886	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M-H+CF3COOH"	112.985586
"1290210"	614.065564	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Cl+CF3COOH"	148.962264
"1370926"	430.090624	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H-2H2O"	-35.012676
"1386964"	448.1006	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H-H2O"	-17.0027
"284581"	931.213876	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+H"	1.007276
"684180"	1396.317176	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+H"	1.007276
"1354332"	466.110576	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H"	1.007276
"130138"	466.110576	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+2H"	2.014552
"568605"	698.662226	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+2H"	2.014552
"1040685"	233.558926	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2H"	2.014552
"211868"	311.076142666667	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+3H"	3.021828
"656896"	466.110576	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+3H"	3.021828
"1172835"	156.041709333333	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+3H"	3.021828
"433921"	948.240423	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+NH4"	18.033823
"792730"	1413.343723	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+NH4"	18.033823
"1694161"	483.137123	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+NH4"	18.033823
"339522"	474.6238495	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+H+NH4"	19.041099
"735224"	707.1754995	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+H+NH4"	19.041099
"1485764"	242.0721995	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H+NH4"	19.041099
"401164"	953.195818	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+Na"	22.989218
"764345"	1418.299118	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+Na"	22.989218
"1610256"	488.092518	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Na"	22.989218
"321385"	477.101547	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+H+Na"	23.996494
"707607"	709.653197	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+H+Na"	23.996494
"1462530"	244.549897	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H+Na"	23.996494
"1055412"	163.369023333333	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2H+Na"	25.00377
"1264744"	498.136786	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+CH3OH+H"	33.033486
"379310"	969.169758	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+K"	38.963158
"741400"	1434.273058	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+K"	38.963158
"1541631"	504.066458	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+K"	38.963158
"306826"	485.088517	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+H+K"	39.970434
"697060"	717.640167	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+H+K"	39.970434
"1450881"	252.536867	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H+K"	39.970434
"242761"	972.240426	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+ACN+H"	42.033826
"1213647"	507.137126	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+ACN+H"	42.033826
"1196800"	254.072201	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+ACN+2H"	43.041102
"191127"	975.17776	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+2Na-H"	44.97116
"630325"	1440.28106	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+2Na-H"	44.97116
"1134195"	510.07446	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2Na-H"	44.97116
"176392"	488.092518	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+2Na"	45.978436
"615954"	720.644168	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+2Na"	45.978436
"1121656"	255.540868	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2Na"	45.978436
"1398864"	170.696337333333	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H+2Na"	46.985712
"1431834"	512.116046	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H+HCOOH"	47.012746
"226997"	493.12554	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+3H2O+2H"	56.04448
"1516151"	526.16809	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+IsoProp+H"	61.06479
"415836"	496.079488	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+Na+K"	61.952376
"781210"	728.631138	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+Na+K"	61.952376
"1675353"	263.527838	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Na+K"	61.952376
"260781"	994.222368	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+ACN+Na"	64.015768
"1238596"	529.119068	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+ACN+Na"	64.015768
"1725658"	529.142593	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+NH4+HCOOH"	64.039293
"1191013"	178.023651333333	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+3Na"	68.967654
"1660906"	534.097988	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Na+HCOOH"	68.994688
"171414"	1007.12564	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+2K-H"	76.91904
"605141"	1472.22894	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+2K-H"	76.91904
"1094026"	542.02234	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2K-H"	76.91904
"151936"	504.066458	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"2M+2K"	77.926316
"591496"	736.618108	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"3M+2K"	77.926316
"1082569"	271.514808	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2K"	77.926316
"1112499"	544.036892	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2K+H"	78.933592
"1344510"	544.124507	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+DMSO+H"	79.021207
"1015229"	548.163676	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2ACN+H"	83.060376
"1527887"	549.157308	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+IsoProp+Na+H"	84.054008
"995428"	274.585476	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+2ACN+2H"	84.067652
"1595399"	550.071928	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+K+HCOOH"	84.968628
"1422154"	580.103438	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+H+CF3COOH"	115.000138
"1153537"	295.098751	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+3ACN+2H"	125.094202
"1700901"	597.129985	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+NH4+CF3COOH"	132.026685
"1637644"	602.08538	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+Na+CF3COOH"	136.98208
"1580952"	618.05932	"C12138"	"Delphinidin 3-O-glucoside;Mirtillin;Delphinidin 3-glucoside;Delphinidin 3-O-beta-D-glucoside"	"C21H21O12"	"465.1033"	"M+K+CF3COOH"	152.95602
"808037"	479.119	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M"	0
"987044"	460.10061	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-H2O-H"	-19.01839
"64714"	318.405390666667	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M-3H"	-3.021828
"508284"	478.111724	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M-3H"	-3.021828
"889366"	158.699057333333	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-3H"	-3.021828
"6848"	478.111724	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M-2H"	-2.014552
"447502"	717.671224	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M-2H"	-2.014552
"822387"	238.552224	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-2H"	-2.014552
"81284"	957.230724	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M-H"	-1.007276
"521938"	1436.349724	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M-H"	-1.007276
"898282"	478.111724	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-H"	-1.007276
"50469"	974.257271	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M-2H+NH4"	16.019271
"490029"	1453.376271	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M-2H+NH4"	16.019271
"866737"	495.138271	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-2H+NH4"	16.019271
"33421"	979.212666	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M-2H+Na"	20.974666
"473834"	1458.331666	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M-2H+Na"	20.974666
"856380"	500.093666	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-2H+Na"	20.974666
"1623727"	500.093666	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Na-2H"	20.974666
"104631"	496.100063	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M-H+Cl"	33.962126
"539819"	735.659563	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M-H+Cl"	33.962126
"934429"	256.540563	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-H+Cl"	33.962126
"275173"	993.207402	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+Cl"	34.969402
"669788"	1472.326402	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+Cl"	34.969402
"1281833"	514.088402	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Cl"	34.969402
"22205"	995.186606	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M-2H+K"	36.948606
"464314"	1474.305606	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M-2H+K"	36.948606
"839928"	516.067606	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-2H+K"	36.948606
"1563416"	516.067606	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+K-2H"	36.948606
"952392"	524.117194	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-H+HCOOH"	44.998194
"368420"	1003.236201	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+HCOOH-H"	44.998201
"354490"	1017.251851	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+Hac-H"	59.013851
"1498950"	538.132851	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Hac-H"	59.013851
"967585"	546.099151	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-H+NaCOOH"	66.980151
"117586"	514.088402	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+2Cl"	69.938804
"557146"	753.647902	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+2Cl"	69.938804
"1029594"	274.528902	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2Cl"	69.938804
"1249903"	558.037885	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Br"	78.918885
"1312717"	560.093872	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Cl+HCOOH"	80.974872
"1327661"	582.075829	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Cl+NaCOOH"	102.956829
"913981"	592.104586	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M-H+CF3COOH"	112.985586
"1292513"	628.081264	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Cl+CF3COOH"	148.962264
"1370672"	444.106324	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H-2H2O"	-35.012676
"1388896"	462.1163	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H-H2O"	-17.0027
"289676"	959.245276	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+H"	1.007276
"684290"	1438.364276	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+H"	1.007276
"1358452"	480.126276	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H"	1.007276
"128789"	480.126276	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+2H"	2.014552
"569442"	719.685776	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+2H"	2.014552
"1044077"	240.566776	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2H"	2.014552
"210886"	320.419942666667	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+3H"	3.021828
"655913"	480.126276	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+3H"	3.021828
"1174038"	160.713609333333	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+3H"	3.021828
"435124"	976.271823	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+NH4"	18.033823
"795027"	1455.390823	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+NH4"	18.033823
"1694634"	497.152823	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+NH4"	18.033823
"339633"	488.6395495	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+H+NH4"	19.041099
"737157"	728.1990495	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+H+NH4"	19.041099
"1486967"	249.0800495	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H+NH4"	19.041099
"405648"	981.227218	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+Na"	22.989218
"766645"	1460.346218	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+Na"	22.989218
"1613648"	502.108218	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Na"	22.989218
"320401"	491.117247	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+H+Na"	23.996494
"708085"	730.676747	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+H+Na"	23.996494
"1463369"	251.557747	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H+Na"	23.996494
"1056617"	168.040923333333	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2H+Na"	25.00377
"1267041"	512.152486	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+CH3OH+H"	33.033486
"382336"	997.201158	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+K"	38.963158
"744426"	1476.320158	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+K"	38.963158
"1544293"	518.082158	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+K"	38.963158
"306936"	499.104217	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+H+K"	39.970434
"700450"	738.663717	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+H+K"	39.970434
"1454273"	259.544717	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H+K"	39.970434
"241780"	1000.271826	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+ACN+H"	42.033826
"1216673"	521.152826	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+ACN+H"	42.033826
"1198370"	261.080051	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+ACN+2H"	43.041102
"191237"	1003.20916	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+2Na-H"	44.97116
"630798"	1482.32816	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+2Na-H"	44.97116
"1133940"	524.09016	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2Na-H"	44.97116
"178324"	502.108218	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+2Na"	45.978436
"616795"	741.667718	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+2Na"	45.978436
"1120673"	262.548718	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2Na"	45.978436
"1399943"	175.368237333333	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H+2Na"	46.985712
"1439598"	526.131746	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H+HCOOH"	47.012746
"228200"	507.14124	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+3H2O+2H"	56.04448
"1515168"	540.18379	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+IsoProp+H"	61.06479
"412667"	510.095188	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+Na+K"	61.952376
"781319"	749.654688	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+Na+K"	61.952376
"1673277"	270.535688	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Na+K"	61.952376
"257611"	1022.253768	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+ACN+Na"	64.015768
"1235793"	543.134768	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+ACN+Na"	64.015768
"1723582"	543.158293	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+NH4+HCOOH"	64.039293
"1190030"	182.695551333333	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+3Na"	68.967654
"1656643"	548.113688	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Na+HCOOH"	68.994688
"167878"	1035.15704	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+2K-H"	76.91904
"608531"	1514.27604	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+2K-H"	76.91904
"1093043"	556.03804	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2K-H"	76.91904
"149859"	518.082158	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"2M+2K"	77.926316
"590512"	757.641658	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"3M+2K"	77.926316
"1079400"	278.522658	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2K"	77.926316
"1108235"	558.052592	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2K+H"	78.933592
"1342432"	558.140207	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+DMSO+H"	79.021207
"1012059"	562.179376	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2ACN+H"	83.060376
"1525807"	563.173008	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+IsoProp+Na+H"	84.054008
"993351"	281.593326	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+2ACN+2H"	84.067652
"1593322"	564.087628	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+K+HCOOH"	84.968628
"1420077"	594.119138	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+H+CF3COOH"	115.000138
"1153647"	302.106601	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+3ACN+2H"	125.094202
"1697363"	611.145685	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+NH4+CF3COOH"	132.026685
"1637755"	616.10108	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+Na+CF3COOH"	136.98208
"1581062"	632.07502	"C12139"	"Petunidin 3-O-glucoside;Petunidin 3-glucoside"	"C22H23O12"	"479.119"	"M+K+CF3COOH"	152.95602
"802193"	493.1346	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M"	0
"987154"	474.11621	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-H2O-H"	-19.01839
"65189"	327.749124	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M-3H"	-3.021828
"506208"	492.127324	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M-3H"	-3.021828
"888383"	163.370924	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-3H"	-3.021828
"10239"	492.127324	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M-2H"	-2.014552
"446519"	738.694624	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M-2H"	-2.014552
"822132"	245.560024	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-2H"	-2.014552
"82489"	985.261924	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M-H"	-1.007276
"520955"	1478.396524	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M-H"	-1.007276
"896931"	492.127324	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-H"	-1.007276
"49487"	1002.288471	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M-2H+NH4"	16.019271
"488680"	1495.423071	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M-2H+NH4"	16.019271
"866482"	509.153871	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-2H+NH4"	16.019271
"32561"	1007.243866	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M-2H+Na"	20.974666
"472851"	1500.378466	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M-2H+Na"	20.974666
"856491"	514.109266	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-2H+Na"	20.974666
"1626024"	514.109266	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Na-2H"	20.974666
"103648"	510.115663	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M-H+Cl"	33.962126
"538836"	756.682963	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M-H+Cl"	33.962126
"937819"	263.548363	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-H+Cl"	33.962126
"276376"	1021.238602	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+Cl"	34.969402
"669898"	1514.373202	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+Cl"	34.969402
"1282306"	528.104002	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Cl"	34.969402
"22679"	1023.217806	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M-2H+K"	36.948606
"464424"	1516.352406	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M-2H+K"	36.948606
"837851"	530.083206	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-2H+K"	36.948606
"1561339"	530.083206	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+K-2H"	36.948606
"950315"	538.132794	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-H+HCOOH"	44.998194
"366343"	1031.267401	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+HCOOH-H"	44.998201
"351319"	1045.283051	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+Hac-H"	59.013851
"1497237"	552.148451	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Hac-H"	59.013851
"964779"	560.114751	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-H+NaCOOH"	66.980151
"115873"	528.104002	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+2Cl"	69.938804
"558349"	774.671302	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+2Cl"	69.938804
"1027517"	281.536702	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2Cl"	69.938804
"1252199"	572.053485	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Br"	78.918885
"1309546"	574.109472	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Cl+HCOOH"	80.974872
"1327041"	596.091429	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Cl+NaCOOH"	102.956829
"912632"	606.120186	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M-H+CF3COOH"	112.985586
"1292987"	642.096864	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Cl+CF3COOH"	148.962264
"1371875"	458.121924	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H-2H2O"	-35.012676
"1387913"	476.1319	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H-H2O"	-17.0027
"289789"	987.276476	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+H"	1.007276
"681120"	1480.411076	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+H"	1.007276
"1354916"	494.141876	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H"	1.007276
"127077"	494.141876	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+2H"	2.014552
"568825"	740.709176	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+2H"	2.014552
"1047467"	247.574576	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2H"	2.014552
"212089"	329.763676	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+3H"	3.021828
"656023"	494.141876	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+3H"	3.021828
"1173055"	165.385476	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+3H"	3.021828
"434141"	1004.303023	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+NH4"	18.033823
"795136"	1497.437623	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+NH4"	18.033823
"1693653"	511.168423	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+NH4"	18.033823
"339745"	502.6551495	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+H+NH4"	19.041099
"735444"	749.2224495	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+H+NH4"	19.041099
"1487079"	256.0878495	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H+NH4"	19.041099
"404665"	1009.258418	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+Na"	22.989218
"767484"	1502.393018	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+Na"	22.989218
"1611570"	516.123818	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Na"	22.989218
"319419"	505.132847	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+H+Na"	23.996494
"708926"	751.700147	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+H+Na"	23.996494
"1463479"	258.565547	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H+Na"	23.996494
"1056727"	172.71279	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2H+Na"	25.00377
"1266057"	526.168086	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+CH3OH+H"	33.033486
"383539"	1025.232358	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+K"	38.963158
"744536"	1518.366958	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+K"	38.963158
"1544767"	532.097758	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+K"	38.963158
"309233"	513.119817	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+H+K"	39.970434
"700560"	759.687117	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+H+K"	39.970434
"1453287"	266.552517	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H+K"	39.970434
"239702"	1028.303026	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+ACN+H"	42.033826
"1217876"	535.168426	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+ACN+H"	42.033826
"1196654"	268.087851	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+ACN+2H"	43.041102
"189890"	1031.24036	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+2Na-H"	44.97116
"631274"	1524.37496	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+2Na-H"	44.97116
"1133321"	538.10576	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2Na-H"	44.97116
"175154"	516.123818	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+2Na"	45.978436
"615807"	762.691118	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+2Na"	45.978436
"1121876"	269.556518	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2Na"	45.978436
"1401025"	180.040104	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H+2Na"	46.985712
"1434241"	540.147346	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H+HCOOH"	47.012746
"228310"	521.15684	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+3H2O+2H"	56.04448
"1515279"	554.19939	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+IsoProp+H"	61.06479
"412777"	524.110788	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+Na+K"	61.952376
"775962"	770.678088	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+Na+K"	61.952376
"1673387"	277.543488	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Na+K"	61.952376
"257721"	1050.284968	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+ACN+Na"	64.015768
"1235901"	557.150368	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+ACN+Na"	64.015768
"1723692"	557.173893	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+NH4+HCOOH"	64.039293
"1187953"	187.367418	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+3Na"	68.967654
"1657845"	562.129288	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Na+HCOOH"	68.994688
"163613"	1063.18824	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+2K-H"	76.91904
"604266"	1556.32284	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+2K-H"	76.91904
"1093153"	570.05364	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2K-H"	76.91904
"147782"	532.097758	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"2M+2K"	77.926316
"591714"	778.665058	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"3M+2K"	77.926316
"1078415"	285.530458	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2K"	77.926316
"1108344"	572.068192	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2K+H"	78.933592
"1342542"	572.155807	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+DMSO+H"	79.021207
"1012169"	576.194976	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2ACN+H"	83.060376
"1527741"	577.188608	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+IsoProp+Na+H"	84.054008
"994189"	288.601126	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+2ACN+2H"	84.067652
"1593433"	578.103228	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+K+HCOOH"	84.968628
"1420187"	608.134738	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+H+CF3COOH"	115.000138
"1152663"	309.114401	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+3ACN+2H"	125.094202
"1697839"	625.161285	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+NH4+CF3COOH"	132.026685
"1637865"	630.11668	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+Na+CF3COOH"	136.98208
"1581172"	646.09062	"C12140"	"Malvidin 3-O-glucoside;Enin;Malvidin-3-glucoside"	"C23H25O12"	"493.1346"	"M+K+CF3COOH"	152.95602
"801697"	463.124	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M"	0
"987993"	444.10561	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-H2O-H"	-19.01839
"67851"	307.742057333333	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M-3H"	-3.021828
"507412"	462.116724	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M-3H"	-3.021828
"887401"	153.367390666667	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-3H"	-3.021828
"12536"	462.116724	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M-2H"	-2.014552
"449910"	693.678724	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M-2H"	-2.014552
"826617"	230.554724	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-2H"	-2.014552
"80777"	925.240724	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M-H"	-1.007276
"522889"	1388.364724	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M-H"	-1.007276
"897409"	462.116724	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-H"	-1.007276
"49960"	942.267271	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M-2H+NH4"	16.019271
"491346"	1405.391271	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M-2H+NH4"	16.019271
"869147"	479.143271	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-2H+NH4"	16.019271
"33036"	947.222666	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M-2H+Na"	20.974666
"473692"	1410.346666	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M-2H+Na"	20.974666
"856600"	484.098666	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-2H+Na"	20.974666
"1623947"	484.098666	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Na-2H"	20.974666
"100477"	480.105063	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M-H+Cl"	33.962126
"542226"	711.667063	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M-H+Cl"	33.962126
"934649"	248.543063	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-H+Cl"	33.962126
"278673"	961.217402	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+Cl"	34.969402
"670008"	1424.341402	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+Cl"	34.969402
"1281323"	498.093402	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Cl"	34.969402
"23879"	963.196606	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M-2H+K"	36.948606
"460522"	1426.320606	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M-2H+K"	36.948606
"839054"	500.072606	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-2H+K"	36.948606
"1563635"	500.072606	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+K-2H"	36.948606
"946050"	508.122194	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-H+HCOOH"	44.998194
"365724"	971.246201	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+HCOOH-H"	44.998201
"352160"	985.261851	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+Hac-H"	59.013851
"1500627"	522.137851	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Hac-H"	59.013851
"968901"	530.104151	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-H+NaCOOH"	66.980151
"121087"	498.093402	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+2Cl"	69.938804
"558464"	729.655402	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+2Cl"	69.938804
"1029449"	266.531402	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2Cl"	69.938804
"1247935"	542.042885	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Br"	78.918885
"1313666"	544.098872	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Cl+HCOOH"	80.974872
"1326787"	566.080829	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Cl+NaCOOH"	102.956829
"916389"	576.109586	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M-H+CF3COOH"	112.985586
"1290181"	612.086264	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Cl+CF3COOH"	148.962264
"1373808"	428.111324	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H-2H2O"	-35.012676
"1389116"	446.1213	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H-H2O"	-17.0027
"290991"	927.255276	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+H"	1.007276
"679043"	1390.379276	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+H"	1.007276
"1356485"	464.131276	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H"	1.007276
"128280"	464.131276	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+2H"	2.014552
"567596"	695.693276	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+2H"	2.014552
"1039921"	232.569276	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2H"	2.014552
"212196"	309.756609333333	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+3H"	3.021828
"652853"	464.131276	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+3H"	3.021828
"1170978"	155.381942666667	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+3H"	3.021828
"433157"	944.281823	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+NH4"	18.033823
"791966"	1407.405823	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+NH4"	18.033823
"1690482"	481.157823	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+NH4"	18.033823
"340946"	472.6445495	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+H+NH4"	19.041099
"734460"	704.2065495	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+H+NH4"	19.041099
"1489375"	241.0825495	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H+NH4"	19.041099
"402587"	949.237218	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+Na"	22.989218
"765770"	1412.361218	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+Na"	22.989218
"1611679"	486.113218	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Na"	22.989218
"321717"	475.122247	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+H+Na"	23.996494
"708432"	706.684247	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+H+Na"	23.996494
"1463591"	243.560247	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H+Na"	23.996494
"1060117"	162.709256666667	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2H+Na"	25.00377
"1268354"	496.157486	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+CH3OH+H"	33.033486
"385835"	965.211158	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+K"	38.963158
"746834"	1428.335158	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+K"	38.963158
"1546700"	502.087158	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+K"	38.963158
"302782"	483.109217	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+H+K"	39.970434
"701763"	714.671217	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+H+K"	39.970434
"1449024"	251.547217	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H+K"	39.970434
"239812"	968.281826	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+ACN+H"	42.033826
"1216892"	505.157826	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+ACN+H"	42.033826
"1202964"	253.082551	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+ACN+2H"	43.041102
"191458"	971.21916	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+2Na-H"	44.97116
"629926"	1434.34316	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+2Na-H"	44.97116
"1131974"	508.09516	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2Na-H"	44.97116
"174900"	486.113218	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+2Na"	45.978436
"614826"	717.675218	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+2Na"	45.978436
"1117610"	254.551218	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2Na"	45.978436
"1401133"	170.036570666667	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H+2Na"	46.985712
"1432527"	510.136746	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H+HCOOH"	47.012746
"221493"	491.14624	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+3H2O+2H"	56.04448
"1509674"	524.18879	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+IsoProp+H"	61.06479
"408753"	494.100188	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+Na+K"	61.952376
"774977"	725.662188	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+Na+K"	61.952376
"1675682"	262.538188	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Na+K"	61.952376
"260017"	990.263768	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+ACN+Na"	64.015768
"1237104"	527.139768	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+ACN+Na"	64.015768
"1722708"	527.163293	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+NH4+HCOOH"	64.039293
"1186969"	177.363884666667	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+3Na"	68.967654
"1659048"	532.118688	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Na+HCOOH"	68.994688
"163723"	1003.16704	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+2K-H"	76.91904
"605470"	1466.29104	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+2K-H"	76.91904
"1095450"	540.04304	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2K-H"	76.91904
"146799"	502.087158	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"2M+2K"	77.926316
"587452"	733.649158	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"3M+2K"	77.926316
"1073423"	270.525158	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2K"	77.926316
"1107360"	542.057592	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2K+H"	78.933592
"1343746"	542.145207	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+DMSO+H"	79.021207
"1014467"	546.184376	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2ACN+H"	83.060376
"1529309"	547.178008	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+IsoProp+Na+H"	84.054008
"995758"	273.595826	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+2ACN+2H"	84.067652
"1593543"	548.092628	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+K+HCOOH"	84.968628
"1418110"	578.124138	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+H+CF3COOH"	115.000138
"1150586"	294.109101	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+3ACN+2H"	125.094202
"1697341"	595.150685	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+NH4+CF3COOH"	132.026685
"1636882"	600.10608	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+Na+CF3COOH"	136.98208
"1581282"	616.08002	"C12141"	"Peonidin 3-O-glucoside;Peonidin-3-glucoside"	"C22H23O11"	"463.124"	"M+K+CF3COOH"	152.95602
"808367"	204.1878	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M"	0
"988469"	185.16941	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"76712"	135.117924	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"510803"	203.180524	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"887511"	67.055324	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13744"	203.180524	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"453302"	305.274424	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"824541"	101.086624	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"85626"	407.368324	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"524093"	611.556124	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"899340"	203.180524	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"52989"	424.394871	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"492550"	628.582671	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"869257"	220.207071	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"38256"	429.350266	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"480003"	633.538066	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856710"	225.162466	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1626244"	225.162466	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"100587"	221.168863	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"541243"	323.262763	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931479"	119.074963	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278783"	443.345002	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670118"	647.532802	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1281433"	239.157202	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"23989"	445.324206	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"460996"	649.512006	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838070"	241.136406	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562652"	241.136406	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947618"	249.185994	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"366564"	453.373801	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353727"	467.389451	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1498551"	263.201651	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"963540"	271.167951	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"116457"	239.157202	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"560758"	341.251102	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1031745"	137.063302	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1248045"	283.106685	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1308306"	285.162672	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1321795"	307.144629	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"915770"	317.173386	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1290288"	353.150064	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376104"	169.175124	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1388133"	187.1851	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"290008"	409.382876	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"681341"	613.570676	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1358782"	205.195076	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128392"	205.195076	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"567586"	307.288976	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041489"	103.101176	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"211214"	137.132476	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"652963"	205.195076	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1175462"	69.069876	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"437641"	426.409423	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"796450"	630.597223	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690594"	222.221623	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340696"	213.7083495	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"736032"	315.8022495	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1488394"	111.6144495	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"404885"	431.364818	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"767703"	635.552618	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1612883"	227.177018	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"324379"	216.186047	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"710975"	318.279947	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1469169"	114.092147	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1059135"	76.39719	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268464"	237.221286	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383760"	447.338758	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"745850"	651.526558	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1546810"	243.150958	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+K"	38.963158
"302892"	224.173017	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"701873"	326.266917	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448401"	122.079117	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"240649"	450.409426	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1215909"	246.221626	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1198698"	123.614451	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"190475"	453.34676	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"633316"	657.53456	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1133178"	249.15896	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"175375"	227.177018	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617485"	329.270918	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1118813"	125.083118	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1400149"	83.724504	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1434095"	251.200546	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"224156"	232.21004	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510396"	265.25259	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"408985"	235.163988	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"775087"	337.257888	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1667772"	133.070088	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"257940"	472.391368	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1235026"	268.203568	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1722818"	268.227093	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1184891"	91.051818	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1655878"	273.182488	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"160186"	485.29464	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603392"	689.48244	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1087539"	281.10684	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151282"	243.150958	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"591935"	345.244858	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080822"	141.057058	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1112938"	283.121392	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349324"	283.209007	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1012389"	287.248176	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531607"	288.241808	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"995868"	144.127726	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593653"	289.156428	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1422594"	319.187938	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148509"	164.641001	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1697124"	336.214485	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638085"	341.16988	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1581392"	357.14382	"C12142"	"Vetispiradiene;(-)-Vetispiradiene;(-)-Premnaspirodiene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802645"	210.0793	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M"	0
"987850"	191.06091	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-H2O-H"	-19.01839
"76456"	139.045590666667	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M-3H"	-3.021828
"516991"	209.072024	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M-3H"	-3.021828
"890901"	69.0191573333333	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-3H"	-3.021828
"14218"	209.072024	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M-2H"	-2.014552
"453048"	314.111674	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M-2H"	-2.014552
"824651"	104.032374	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-2H"	-2.014552
"84643"	419.151324	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M-H"	-1.007276
"524204"	629.230624	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M-H"	-1.007276
"898720"	209.072024	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-H"	-1.007276
"53099"	436.177871	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M-2H+NH4"	16.019271
"491930"	646.257171	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M-2H+NH4"	16.019271
"869001"	226.098571	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-2H+NH4"	16.019271
"43470"	441.133266	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M-2H+Na"	20.974666
"481206"	651.212566	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M-2H+Na"	20.974666
"854633"	231.053966	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-2H+Na"	20.974666
"1627447"	231.053966	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Na-2H"	20.974666
"100697"	227.060363	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M-H+Cl"	33.962126
"538073"	332.100013	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M-H+Cl"	33.962126
"931589"	122.020713	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-H+Cl"	33.962126
"272332"	455.128002	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+Cl"	34.969402
"668044"	665.207302	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+Cl"	34.969402
"1278627"	245.048702	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Cl"	34.969402
"23370"	457.107206	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M-2H+K"	36.948606
"461106"	667.186506	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M-2H+K"	36.948606
"839638"	247.027906	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-2H+K"	36.948606
"1562765"	247.027906	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+K-2H"	36.948606
"950648"	255.077494	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-H+HCOOH"	44.998194
"367402"	465.156801	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+HCOOH-H"	44.998201
"353840"	479.172451	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+Hac-H"	59.013851
"1498663"	269.093151	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Hac-H"	59.013851
"968757"	277.059451	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-H+NaCOOH"	66.980151
"119486"	245.048702	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+2Cl"	69.938804
"558681"	350.088352	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+2Cl"	69.938804
"1027484"	140.009052	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2Cl"	69.938804
"1247427"	288.998185	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Br"	78.918885
"1309877"	291.054172	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Cl+HCOOH"	80.974872
"1325917"	313.036129	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Cl+NaCOOH"	102.956829
"921350"	323.064886	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M-H+CF3COOH"	112.985586
"1290766"	359.041564	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Cl+CF3COOH"	148.962264
"1370019"	175.066624	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H-2H2O"	-35.012676
"1384962"	193.0766	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H-H2O"	-17.0027
"289025"	421.165876	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+H"	1.007276
"686918"	631.245176	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+H"	1.007276
"1359987"	211.086576	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H"	1.007276
"127772"	211.086576	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+2H"	2.014552
"571345"	316.126226	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+2H"	2.014552
"1045612"	106.046926	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2H"	2.014552
"213513"	141.060142666667	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+3H"	3.021828
"653074"	211.086576	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+3H"	3.021828
"1170106"	71.0337093333333	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+3H"	3.021828
"432283"	438.192423	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+NH4"	18.033823
"794371"	648.271723	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+NH4"	18.033823
"1691797"	228.113123	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+NH4"	18.033823
"336796"	219.5998495	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+H+NH4"	19.041099
"732496"	324.6394995	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+H+NH4"	19.041099
"1490323"	114.5601995	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H+NH4"	19.041099
"403899"	443.147818	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+Na"	22.989218
"768541"	653.227118	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+Na"	22.989218
"1616884"	233.068518	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Na"	22.989218
"323030"	222.077547	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+H+Na"	23.996494
"716548"	327.117197	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+H+Na"	23.996494
"1465994"	117.037897	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H+Na"	23.996494
"1058146"	78.3610233333333	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2H+Na"	25.00377
"1268573"	243.112786	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+CH3OH+H"	33.033486
"388242"	459.121758	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+K"	38.963158
"745961"	669.201058	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+K"	38.963158
"1546921"	249.042458	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+K"	38.963158
"308471"	230.064517	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+H+K"	39.970434
"700891"	335.104167	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+H+K"	39.970434
"1448146"	125.024867	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H+K"	39.970434
"240397"	462.192426	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+ACN+H"	42.033826
"1215288"	252.113126	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+ACN+H"	42.033826
"1198077"	126.560201	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+ACN+2H"	43.041102
"197877"	465.12976	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+2Na-H"	44.97116
"631967"	675.20906	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+2Na-H"	44.97116
"1134017"	255.05046	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2Na-H"	44.97116
"174392"	233.068518	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+2Na"	45.978436
"615772"	338.108168	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+2Na"	45.978436
"1117461"	128.028868	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2Na"	45.978436
"1400133"	85.6883373333333	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H+2Na"	46.985712
"1432743"	257.092046	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H+HCOOH"	47.012746
"224266"	238.10154	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+3H2O+2H"	56.04448
"1510506"	271.14409	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+IsoProp+H"	61.06479
"409701"	241.055488	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+Na+K"	61.952376
"771185"	346.095138	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+Na+K"	61.952376
"1670801"	136.015838	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Na+K"	61.952376
"253678"	484.174368	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+ACN+Na"	64.015768
"1235136"	274.095068	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+ACN+Na"	64.015768
"1725846"	274.118593	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+NH4+HCOOH"	64.039293
"1185003"	93.0156513333333	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+3Na"	68.967654
"1654896"	279.073988	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Na+HCOOH"	68.994688
"171356"	497.07764	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+2K-H"	76.91904
"602410"	707.15694	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+2K-H"	76.91904
"1092389"	286.99834	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2K-H"	76.91904
"148111"	249.042458	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"2M+2K"	77.926316
"596424"	354.082108	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"3M+2K"	77.926316
"1079840"	144.002808	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2K"	77.926316
"1111955"	289.012892	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2K+H"	78.933592
"1346154"	289.100507	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+DMSO+H"	79.021207
"1016872"	293.139676	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2ACN+H"	83.060376
"1532809"	294.133308	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+IsoProp+Na+H"	84.054008
"993791"	147.073476	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+2ACN+2H"	84.067652
"1593763"	295.047928	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+K+HCOOH"	84.968628
"1422704"	325.079438	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+H+CF3COOH"	115.000138
"1149712"	167.586751	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+3ACN+2H"	125.094202
"1697922"	342.105985	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+NH4+CF3COOH"	132.026685
"1637102"	347.06138	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+Na+CF3COOH"	136.98208
"1581502"	363.03532	"C12143"	"2-Aminoacridone;AMAC"	"C13H10N2O"	"210.0793"	"M+K+CF3COOH"	152.95602
"805307"	317.293	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M"	0
"989765"	298.27461	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-H2O-H"	-19.01839
"76200"	210.521390666667	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M-3H"	-3.021828
"518320"	316.285724	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M-3H"	-3.021828
"891009"	104.757057333333	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-3H"	-3.021828
"15585"	316.285724	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M-2H"	-2.014552
"455185"	474.932224	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M-2H"	-2.014552
"829134"	157.639224	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-2H"	-2.014552
"88032"	633.578724	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M-H"	-1.007276
"527594"	950.871724	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M-H"	-1.007276
"899561"	316.285724	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-H"	-1.007276
"53209"	650.605271	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M-2H+NH4"	16.019271
"492769"	967.898271	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M-2H+NH4"	16.019271
"866680"	333.312271	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-2H+NH4"	16.019271
"46009"	655.560666	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M-2H+Na"	20.974666
"482409"	972.853666	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M-2H+Na"	20.974666
"856930"	338.267666	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-2H+Na"	20.974666
"1627557"	338.267666	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Na-2H"	20.974666
"96432"	334.274063	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M-H+Cl"	33.962126
"535265"	492.920563	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M-H+Cl"	33.962126
"934979"	175.627563	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-H+Cl"	33.962126
"272442"	669.555402	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+Cl"	34.969402
"667790"	986.848402	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+Cl"	34.969402
"1281289"	352.262402	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Cl"	34.969402
"24938"	671.534606	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M-2H+K"	36.948606
"465959"	988.827606	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M-2H+K"	36.948606
"845585"	354.241606	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-2H+K"	36.948606
"1566155"	354.241606	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+K-2H"	36.948606
"950760"	362.291194	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-H+HCOOH"	44.998194
"370067"	679.584201	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+HCOOH-H"	44.998201
"352127"	693.599851	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+Hac-H"	59.013851
"1501689"	376.306851	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Hac-H"	59.013851
"965220"	384.273151	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-H+NaCOOH"	66.980151
"116312"	352.262402	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+2Cl"	69.938804
"556604"	510.908902	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+2Cl"	69.938804
"1031600"	193.615902	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2Cl"	69.938804
"1247169"	396.211885	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Br"	78.918885
"1312169"	398.267872	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Cl+HCOOH"	80.974872
"1327481"	420.249829	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Cl+NaCOOH"	102.956829
"919267"	430.278586	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M-H+CF3COOH"	112.985586
"1299258"	466.255264	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Cl+CF3COOH"	148.962264
"1376327"	282.280324	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H-2H2O"	-35.012676
"1393826"	300.2903	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H-H2O"	-17.0027
"290232"	635.593276	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+H"	1.007276
"690556"	952.886276	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+H"	1.007276
"1362285"	318.300276	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H"	1.007276
"136269"	318.300276	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+2H"	2.014552
"579110"	476.946776	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+2H"	2.014552
"1045722"	159.653776	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2H"	2.014552
"217997"	212.535942666667	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+3H"	3.021828
"656465"	318.300276	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+3H"	3.021828
"1178196"	106.771609333333	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+3H"	3.021828
"436769"	652.619823	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+NH4"	18.033823
"796671"	969.912823	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+NH4"	18.033823
"1695188"	335.326823	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+NH4"	18.033823
"342373"	326.8135495	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+H+NH4"	19.041099
"734794"	485.4600495	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+H+NH4"	19.041099
"1490438"	168.1670495	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H+NH4"	19.041099
"404014"	657.575218	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+Na"	22.989218
"766102"	974.868218	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+Na"	22.989218
"1617844"	340.282218	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Na"	22.989218
"326058"	329.291247	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+H+Na"	23.996494
"717751"	487.937747	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+H+Na"	23.996494
"1468291"	170.644747	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H+Na"	23.996494
"1058255"	114.098923333333	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2H+Na"	25.00377
"1262121"	350.326486	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+CH3OH+H"	33.033486
"387258"	673.549158	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+K"	38.963158
"750446"	990.842158	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+K"	38.963158
"1547031"	356.256158	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+K"	38.963158
"311864"	337.278217	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+H+K"	39.970434
"703192"	495.924717	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+H+K"	39.970434
"1452635"	178.631717	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H+K"	39.970434
"244517"	676.619826	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+ACN+H"	42.033826
"1215038"	359.326826	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+ACN+H"	42.033826
"1198189"	180.167051	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+ACN+2H"	43.041102
"192154"	679.55716	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+2Na-H"	44.97116
"632443"	996.85016	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+2Na-H"	44.97116
"1133033"	362.26416	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2Na-H"	44.97116
"173894"	340.282218	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+2Na"	45.978436
"613698"	498.928718	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+2Na"	45.978436
"1117085"	181.635718	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2Na"	45.978436
"1399392"	121.426237333333	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H+2Na"	46.985712
"1432489"	364.305746	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H+HCOOH"	47.012746
"225471"	345.31524	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+3H2O+2H"	56.04448
"1509521"	378.35779	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+IsoProp+H"	61.06479
"411764"	348.269188	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+Na+K"	61.952376
"774216"	506.915688	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+Na+K"	61.952376
"1666539"	189.622688	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Na+K"	61.952376
"255975"	698.601768	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+ACN+Na"	64.015768
"1235247"	381.308768	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+ACN+Na"	64.015768
"1726320"	381.332293	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+NH4+HCOOH"	64.039293
"1192649"	128.753551333333	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+3Na"	68.967654
"1660475"	386.287688	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Na+HCOOH"	68.994688
"170615"	711.50504	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+2K-H"	76.91904
"603614"	1028.79804	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+2K-H"	76.91904
"1092500"	394.21204	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2K-H"	76.91904
"147127"	356.256158	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"2M+2K"	77.926316
"588875"	514.902658	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"3M+2K"	77.926316
"1076669"	197.609658	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2K"	77.926316
"1110972"	396.226592	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2K+H"	78.933592
"1346264"	396.314207	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+DMSO+H"	79.021207
"1011515"	400.353376	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2ACN+H"	83.060376
"1532920"	401.347008	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+IsoProp+Na+H"	84.054008
"993901"	200.680326	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+2ACN+2H"	84.067652
"1594966"	402.261628	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+K+HCOOH"	84.968628
"1420627"	432.293138	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+H+CF3COOH"	115.000138
"1152009"	221.193601	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+3ACN+2H"	125.094202
"1698280"	449.319685	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+NH4+CF3COOH"	132.026685
"1637212"	454.27508	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+Na+CF3COOH"	136.98208
"1581612"	470.24902	"C12144"	"Phytosphingosine;4-D-Hydroxysphinganine"	"C18H39NO3"	"317.293"	"M+K+CF3COOH"	152.95602
"815872"	199.0246	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M"	0
"986608"	180.00621	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-H2O-H"	-19.01839
"75581"	131.675790666667	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M-3H"	-3.021828
"514411"	198.017324	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M-3H"	-3.021828
"887841"	65.3342573333333	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-3H"	-3.021828
"13345"	198.017324	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M-2H"	-2.014552
"454359"	297.529624	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M-2H"	-2.014552
"829244"	98.505024	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-2H"	-2.014552
"88142"	397.041924	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M-H"	-1.007276
"526611"	596.066524	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M-H"	-1.007276
"902225"	198.017324	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-H"	-1.007276
"53320"	414.068471	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M-2H+NH4"	16.019271
"492883"	613.093071	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M-2H+NH4"	16.019271
"868497"	215.043871	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-2H+NH4"	16.019271
"38585"	419.023866	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M-2H+Na"	20.974666
"475959"	618.048466	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M-2H+Na"	20.974666
"853760"	219.999266	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-2H+Na"	20.974666
"1624391"	219.999266	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Na-2H"	20.974666
"95447"	216.005663	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M-H+Cl"	33.962126
"542667"	315.517963	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M-H+Cl"	33.962126
"937286"	116.493363	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-H+Cl"	33.962126
"275842"	433.018602	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+Cl"	34.969402
"672642"	632.043202	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+Cl"	34.969402
"1287110"	233.994002	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Cl"	34.969402
"28692"	434.997806	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M-2H+K"	36.948606
"464972"	634.022406	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M-2H+K"	36.948606
"842043"	235.973206	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-2H+K"	36.948606
"1565169"	235.973206	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+K-2H"	36.948606
"953053"	244.022794	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-H+HCOOH"	44.998194
"373459"	443.047401	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+HCOOH-H"	44.998201
"355153"	457.063051	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+Hac-H"	59.013851
"1502527"	258.038451	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Hac-H"	59.013851
"968246"	266.004751	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-H+NaCOOH"	66.980151
"115694"	233.994002	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+2Cl"	69.938804
"559630"	333.506302	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+2Cl"	69.938804
"1030981"	134.481702	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2Cl"	69.938804
"1251654"	277.943485	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Br"	78.918885
"1313009"	279.999472	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Cl+HCOOH"	80.974872
"1330508"	301.981429	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Cl+NaCOOH"	102.956829
"916099"	312.010186	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M-H+CF3COOH"	112.985586
"1292809"	347.986864	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Cl+CF3COOH"	148.962264
"1370603"	164.011924	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H-2H2O"	-35.012676
"1386643"	182.0219	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H-H2O"	-17.0027
"288155"	399.056476	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+H"	1.007276
"688232"	598.081076	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+H"	1.007276
"1365313"	200.031876	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H"	1.007276
"139660"	200.031876	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+2H"	2.014552
"580681"	299.544176	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+2H"	2.014552
"1052394"	100.519576	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2H"	2.014552
"219569"	133.690342666667	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+3H"	3.021828
"655481"	200.031876	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+3H"	3.021828
"1177864"	67.3488093333333	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+3H"	3.021828
"439555"	416.083023	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+NH4"	18.033823
"800427"	615.107623	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+NH4"	18.033823
"1695664"	217.058423	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+NH4"	18.033823
"343578"	208.5451495	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+H+NH4"	19.041099
"737091"	308.0574495	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+H+NH4"	19.041099
"1491639"	109.0328495	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H+NH4"	19.041099
"407769"	421.038418	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+Na"	22.989218
"769491"	620.063018	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+Na"	22.989218
"1612126"	222.013818	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Na"	22.989218
"322160"	211.022847	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+H+Na"	23.996494
"716770"	310.535147	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+H+Na"	23.996494
"1473507"	111.510547	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H+Na"	23.996494
"1067483"	74.6761233333333	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2H+Na"	25.00377
"1270622"	232.058086	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+CH3OH+H"	33.033486
"384096"	437.012358	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+K"	38.963158
"750555"	636.036958	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+K"	38.963158
"1553703"	237.987758	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+K"	38.963158
"307599"	219.009817	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+H+K"	39.970434
"692361"	318.522117	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+H+K"	39.970434
"1446909"	119.497517	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H+K"	39.970434
"238792"	440.083026	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+ACN+H"	42.033826
"1212959"	241.058426	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+ACN+H"	42.033826
"1200122"	121.032851	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+ACN+2H"	43.041102
"191901"	443.02036	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+2Na-H"	44.97116
"631463"	642.04496	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+2Na-H"	44.97116
"1133873"	243.99576	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2Na-H"	44.97116
"174853"	222.013818	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+2Na"	45.978436
"622201"	321.526118	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+2Na"	45.978436
"1120239"	122.501518	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2Na"	45.978436
"1408506"	82.0034373333333	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H+2Na"	46.985712
"1434789"	246.037346	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H+HCOOH"	47.012746
"228860"	227.04684	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+3H2O+2H"	56.04448
"1515829"	260.08939	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+IsoProp+H"	61.06479
"409682"	230.000788	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+Na+K"	61.952376
"772502"	329.513088	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+Na+K"	61.952376
"1671750"	130.488488	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Na+K"	61.952376
"260459"	462.064968	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+ACN+Na"	64.015768
"1240992"	263.040368	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+ACN+Na"	64.015768
"1727894"	263.063893	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+NH4+HCOOH"	64.039293
"1191784"	89.3307513333333	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+3Na"	68.967654
"1664958"	268.019288	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Na+HCOOH"	68.994688
"170726"	474.96824	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+2K-H"	76.91904
"612109"	673.99284	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+2K-H"	76.91904
"1096984"	275.94364	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2K-H"	76.91904
"154895"	237.987758	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"2M+2K"	77.926316
"591173"	337.500058	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"3M+2K"	77.926316
"1080059"	138.475458	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2K"	77.926316
"1108895"	277.958192	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2K+H"	78.933592
"1345281"	278.045807	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+DMSO+H"	79.021207
"1011624"	282.084976	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2ACN+H"	83.060376
"1531939"	283.078608	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+IsoProp+Na+H"	84.054008
"995105"	141.546126	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+2ACN+2H"	84.067652
"1588517"	283.993228	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+K+HCOOH"	84.968628
"1420738"	314.024738	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+H+CF3COOH"	115.000138
"1149933"	162.059401	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+3ACN+2H"	125.094202
"1698024"	331.051285	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+NH4+CF3COOH"	132.026685
"1636230"	336.00668	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+Na+CF3COOH"	136.98208
"1581724"	351.98062	"C12147"	"L-Threonine O-3-phosphate;L-Threonine phosphate;O-Phospho-L-threonine"	"C4H10NO6P"	"199.0246"	"M+K+CF3COOH"	152.95602
"814279"	514.2931	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M"	0
"982343"	495.27471	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-H2O-H"	-19.01839
"74962"	341.854790666667	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M-3H"	-3.021828
"512335"	513.285824	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M-3H"	-3.021828
"887951"	170.423757333333	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-3H"	-3.021828
"13088"	513.285824	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M-2H"	-2.014552
"452647"	770.432374	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M-2H"	-2.014552
"828261"	256.139274	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-2H"	-2.014552
"87159"	1027.578924	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M-H"	-1.007276
"526721"	1541.872024	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M-H"	-1.007276
"900149"	513.285824	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-H"	-1.007276
"53430"	1044.605471	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M-2H+NH4"	16.019271
"496273"	1558.898571	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M-2H+NH4"	16.019271
"867514"	530.312371	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-2H+NH4"	16.019271
"38695"	1049.560866	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M-2H+Na"	20.974666
"476069"	1563.853966	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M-2H+Na"	20.974666
"857150"	535.267766	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-2H+Na"	20.974666
"1618787"	535.267766	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Na-2H"	20.974666
"94546"	531.274163	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M-H+Cl"	33.962126
"534993"	788.420713	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M-H+Cl"	33.962126
"936301"	274.127613	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-H+Cl"	33.962126
"275950"	1063.555602	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+Cl"	34.969402
"674575"	1577.848702	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+Cl"	34.969402
"1281872"	549.262502	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Cl"	34.969402
"22239"	1065.534806	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M-2H+K"	36.948606
"469092"	1579.827906	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M-2H+K"	36.948606
"839603"	551.241706	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-2H+K"	36.948606
"1565279"	551.241706	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+K-2H"	36.948606
"955349"	559.291294	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-H+HCOOH"	44.998194
"372471"	1073.584401	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+HCOOH-H"	44.998201
"354168"	1087.600051	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+Hac-H"	59.013851
"1500814"	573.306951	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Hac-H"	59.013851
"966169"	581.273251	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-H+NaCOOH"	66.980151
"118356"	549.262502	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+2Cl"	69.938804
"560104"	806.409052	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+2Cl"	69.938804
"1030727"	292.115952	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2Cl"	69.938804
"1251764"	593.211985	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Br"	78.918885
"1313119"	595.267972	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Cl+HCOOH"	80.974872
"1325149"	617.249929	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Cl+NaCOOH"	102.956829
"913293"	627.278686	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M-H+CF3COOH"	112.985586
"1292919"	663.255364	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Cl+CF3COOH"	148.962264
"1370349"	479.280424	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H-2H2O"	-35.012676
"1384200"	497.2904	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H-H2O"	-17.0027
"286078"	1029.593476	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+H"	1.007276
"685062"	1543.886576	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+H"	1.007276
"1363600"	515.300376	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H"	1.007276
"137584"	515.300376	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+2H"	2.014552
"580549"	772.446926	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+2H"	2.014552
"1049953"	258.153826	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2H"	2.014552
"218947"	343.869342666667	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+3H"	3.021828
"655591"	515.300376	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+3H"	3.021828
"1176634"	172.438309333333	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+3H"	3.021828
"439303"	1046.620023	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+NH4"	18.033823
"799080"	1560.913123	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+NH4"	18.033823
"1694318"	532.326923	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+NH4"	18.033823
"344055"	523.8136495	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+H+NH4"	19.041099
"737570"	780.9601995	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+H+NH4"	19.041099
"1491628"	266.6670995	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H+NH4"	19.041099
"406786"	1051.575418	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+Na"	22.989218
"768145"	1565.868518	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+Na"	22.989218
"1612965"	537.282318	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Na"	22.989218
"322270"	526.291347	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+H+Na"	23.996494
"718338"	783.437897	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+H+Na"	23.996494
"1471066"	269.144797	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H+Na"	23.996494
"1064677"	179.765623333333	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2H+Na"	25.00377
"1271096"	547.326586	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+CH3OH+H"	33.033486
"383113"	1067.549358	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+K"	38.963158
"749573"	1581.842458	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+K"	38.963158
"1553448"	553.256258	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+K"	38.963158
"309894"	534.278317	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+H+K"	39.970434
"694660"	791.424867	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+H+K"	39.970434
"1449206"	277.131767	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H+K"	39.970434
"239631"	1070.620026	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+ACN+H"	42.033826
"1213072"	556.326926	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+ACN+H"	42.033826
"1196587"	278.667101	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+ACN+2H"	43.041102
"191646"	1073.55736	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+2Na-H"	44.97116
"631935"	1587.85046	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+2Na-H"	44.97116
"1133741"	559.26426	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2Na-H"	44.97116
"175573"	537.282318	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+2Na"	45.978436
"616844"	794.428868	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+2Na"	45.978436
"1118283"	280.135768	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2Na"	45.978436
"1406429"	187.092937333333	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H+2Na"	46.985712
"1435263"	561.305846	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H+HCOOH"	47.012746
"226053"	542.31534	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+3H2O+2H"	56.04448
"1514116"	575.35789	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+IsoProp+H"	61.06479
"408818"	545.269288	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+Na+K"	61.952376
"772976"	802.415838	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+Na+K"	61.952376
"1672953"	288.122738	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Na+K"	61.952376
"259476"	1092.601968	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+ACN+Na"	64.015768
"1236560"	578.308868	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+ACN+Na"	64.015768
"1728276"	578.332393	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+NH4+HCOOH"	64.039293
"1189707"	194.420251333333	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+3Na"	68.967654
"1659600"	583.287788	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Na+HCOOH"	68.994688
"167554"	1105.50524	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+2K-H"	76.91904
"611489"	1619.79834	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+2K-H"	76.91904
"1098187"	591.21214	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2K-H"	76.91904
"151724"	553.256258	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"2M+2K"	77.926316
"591283"	810.402808	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"3M+2K"	77.926316
"1076888"	296.109708	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2K"	77.926316
"1106817"	593.226692	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2K+H"	78.933592
"1346484"	593.314307	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+DMSO+H"	79.021207
"1015013"	597.353476	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2ACN+H"	83.060376
"1532044"	598.347108	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+IsoProp+Na+H"	84.054008
"997398"	299.180376	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+2ACN+2H"	84.067652
"1590812"	599.261728	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+K+HCOOH"	84.968628
"1415743"	629.293238	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+H+CF3COOH"	115.000138
"1151136"	319.693651	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+3ACN+2H"	125.094202
"1698255"	646.319785	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+NH4+CF3COOH"	132.026685
"1636340"	651.27518	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+Na+CF3COOH"	136.98208
"1581834"	667.24912	"C12148"	"Stigmatellin A;Stigmatellin"	"C30H42O7"	"514.2931"	"M+K+CF3COOH"	152.95602
"814391"	470.2668	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M"	0
"982453"	451.24841	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-H2O-H"	-19.01839
"74708"	312.503924	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M-3H"	-3.021828
"513539"	469.259524	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M-3H"	-3.021828
"888061"	155.748324	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-3H"	-3.021828
"12106"	469.259524	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M-2H"	-2.014552
"452757"	704.392924	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M-2H"	-2.014552
"828372"	234.126124	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-2H"	-2.014552
"91643"	939.526324	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M-H"	-1.007276
"526831"	1409.793124	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M-H"	-1.007276
"906456"	469.259524	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-H"	-1.007276
"59012"	956.552871	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M-2H+NH4"	16.019271
"496383"	1426.819671	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M-2H+NH4"	16.019271
"874184"	486.286071	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-2H+NH4"	16.019271
"43909"	961.508266	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M-2H+Na"	20.974666
"484446"	1431.775066	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M-2H+Na"	20.974666
"861640"	491.241466	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-2H+Na"	20.974666
"1619142"	491.241466	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Na-2H"	20.974666
"94942"	487.247863	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M-H+Cl"	33.962126
"536324"	722.381263	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M-H+Cl"	33.962126
"932037"	252.114463	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-H+Cl"	33.962126
"274603"	975.503002	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+Cl"	34.969402
"673953"	1445.769802	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+Cl"	34.969402
"1278701"	505.236202	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Cl"	34.969402
"21257"	977.482206	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M-2H+K"	36.948606
"465192"	1447.749006	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M-2H+K"	36.948606
"846275"	507.215406	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-2H+K"	36.948606
"1570454"	507.215406	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+K-2H"	36.948606
"957609"	515.264994	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-H+HCOOH"	44.998194
"373675"	985.531801	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+HCOOH-H"	44.998201
"354278"	999.547451	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+Hac-H"	59.013851
"1502018"	529.280651	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Hac-H"	59.013851
"966279"	537.246951	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-H+NaCOOH"	66.980151
"115550"	505.236202	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+2Cl"	69.938804
"558757"	740.369602	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+2Cl"	69.938804
"1031206"	270.102802	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2Cl"	69.938804
"1252969"	549.185685	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Br"	78.918885
"1309950"	551.241672	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Cl+HCOOH"	80.974872
"1327448"	573.223629	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Cl+NaCOOH"	102.956829
"919599"	583.252386	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M-H+CF3COOH"	112.985586
"1290842"	619.229064	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Cl+CF3COOH"	148.962264
"1373377"	435.254124	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H-2H2O"	-35.012676
"1389779"	453.2641	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H-H2O"	-17.0027
"288374"	941.540876	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+H"	1.007276
"687359"	1411.807676	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+H"	1.007276
"1361523"	471.274076	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H"	1.007276
"140490"	471.274076	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+2H"	2.014552
"577984"	706.407476	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+2H"	2.014552
"1050063"	236.140676	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2H"	2.014552
"219822"	314.518476	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+3H"	3.021828
"658257"	471.274076	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+3H"	3.021828
"1178332"	157.762876	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+3H"	3.021828
"438682"	958.567423	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+NH4"	18.033823
"800164"	1428.834223	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+NH4"	18.033823
"1693335"	488.300623	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+NH4"	18.033823
"344654"	479.7873495	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+H+NH4"	19.041099
"738174"	714.9207495	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+H+NH4"	19.041099
"1491864"	244.6539495	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H+NH4"	19.041099
"406897"	963.522818	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+Na"	22.989218
"767769"	1433.789618	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+Na"	22.989218
"1613075"	493.256018	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Na"	22.989218
"324567"	482.265047	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+H+Na"	23.996494
"716260"	717.398447	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+H+Na"	23.996494
"1469717"	247.131647	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H+Na"	23.996494
"1063693"	165.09019	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2H+Na"	25.00377
"1270114"	503.300286	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+CH3OH+H"	33.033486
"384316"	979.496758	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+K"	38.963158
"747499"	1449.763558	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+K"	38.963158
"1552465"	509.229958	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+K"	38.963158
"307820"	490.252017	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+H+K"	39.970434
"698051"	725.385417	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+H+K"	39.970434
"1448953"	255.118617	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H+K"	39.970434
"239379"	982.567426	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+ACN+H"	42.033826
"1213181"	512.300626	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+ACN+H"	42.033826
"1196697"	256.653951	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+ACN+2H"	43.041102
"191028"	985.50476	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+2Na-H"	44.97116
"630224"	1455.77156	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+2Na-H"	44.97116
"1136283"	515.23796	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2Na-H"	44.97116
"181760"	493.256018	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+2Na"	45.978436
"613176"	728.389418	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+2Na"	45.978436
"1118393"	258.122618	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2Na"	45.978436
"1405082"	172.417504	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H+2Na"	46.985712
"1435009"	517.279546	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H+HCOOH"	47.012746
"225799"	498.28904	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+3H2O+2H"	56.04448
"1513133"	531.33159	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+IsoProp+H"	61.06479
"408965"	501.242988	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+Na+K"	61.952376
"773086"	736.376388	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+Na+K"	61.952376
"1673063"	266.109588	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Na+K"	61.952376
"260679"	1004.549368	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+ACN+Na"	64.015768
"1235577"	534.282568	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+ACN+Na"	64.015768
"1727991"	534.306093	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+NH4+HCOOH"	64.039293
"1189816"	179.744818	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+3Na"	68.967654
"1659710"	539.261488	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Na+HCOOH"	68.994688
"167664"	1017.45264	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+2K-H"	76.91904
"610505"	1487.71944	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+2K-H"	76.91904
"1098297"	547.18584	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2K-H"	76.91904
"154022"	509.229958	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"2M+2K"	77.926316
"593582"	744.363358	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"3M+2K"	77.926316
"1081373"	274.096558	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2K"	77.926316
"1108020"	549.200392	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2K+H"	78.933592
"1349753"	549.288007	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+DMSO+H"	79.021207
"1021078"	553.327176	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2ACN+H"	83.060376
"1539203"	554.320808	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+IsoProp+Na+H"	84.054008
"1002977"	277.167226	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+2ACN+2H"	84.067652
"1597478"	555.235428	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+K+HCOOH"	84.968628
"1418769"	585.266938	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+H+CF3COOH"	115.000138
"1149058"	297.680501	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+3ACN+2H"	125.094202
"1697637"	602.293485	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+NH4+CF3COOH"	132.026685
"1637541"	607.24888	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+Na+CF3COOH"	136.98208
"1581944"	623.22282	"C12149"	"Stigmatellin X"	"C28H38O6"	"470.2668"	"M+K+CF3COOH"	152.95602
"816565"	484.2825	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M"	0
"982563"	465.26411	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-H2O-H"	-19.01839
"76641"	321.847724	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M-3H"	-3.021828
"516929"	483.275224	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M-3H"	-3.021828
"895222"	160.420224	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-3H"	-3.021828
"12581"	483.275224	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M-2H"	-2.014552
"453600"	725.416474	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M-2H"	-2.014552
"830674"	241.133974	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-2H"	-2.014552
"91753"	967.557724	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M-H"	-1.007276
"526941"	1451.840224	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M-H"	-1.007276
"906930"	483.275224	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-H"	-1.007276
"60214"	984.584271	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M-2H+NH4"	16.019271
"499409"	1468.866771	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M-2H+NH4"	16.019271
"875387"	500.301771	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-2H+NH4"	16.019271
"44384"	989.539666	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M-2H+Na"	20.974666
"485038"	1473.822166	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M-2H+Na"	20.974666
"861749"	505.257166	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-2H+Na"	20.974666
"1621438"	505.257166	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Na-2H"	20.974666
"97969"	501.263563	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M-H+Cl"	33.962126
"541903"	743.404813	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M-H+Cl"	33.962126
"932147"	259.122313	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-H+Cl"	33.962126
"272890"	1003.534402	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+Cl"	34.969402
"672969"	1487.816902	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+Cl"	34.969402
"1279905"	519.251902	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Cl"	34.969402
"18450"	1005.513606	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M-2H+K"	36.948606
"459833"	1489.796106	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M-2H+K"	36.948606
"846385"	521.231106	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-2H+K"	36.948606
"1568780"	521.231106	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+K-2H"	36.948606
"956668"	529.280694	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-H+HCOOH"	44.998194
"370503"	1013.563201	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+HCOOH-H"	44.998201
"355480"	1027.578851	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+Hac-H"	59.013851
"1504314"	543.296351	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Hac-H"	59.013851
"965296"	551.262651	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-H+NaCOOH"	66.980151
"117482"	519.251902	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+2Cl"	69.938804
"561782"	761.393152	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+2Cl"	69.938804
"1033866"	277.110652	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2Cl"	69.938804
"1250892"	563.201385	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Br"	78.918885
"1314434"	565.257372	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Cl+HCOOH"	80.974872
"1325371"	587.239329	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Cl+NaCOOH"	102.956829
"912783"	597.268086	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M-H+CF3COOH"	112.985586
"1289491"	633.244764	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Cl+CF3COOH"	148.962264
"1369109"	449.269824	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H-2H2O"	-35.012676
"1384418"	467.2798	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H-H2O"	-17.0027
"284473"	969.572276	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+H"	1.007276
"688562"	1453.854776	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+H"	1.007276
"1360540"	485.289776	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H"	1.007276
"138897"	485.289776	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+2H"	2.014552
"577365"	727.431026	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+2H"	2.014552
"1050173"	243.148526	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2H"	2.014552
"219932"	323.862276	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+3H"	3.021828
"658730"	485.289776	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+3H"	3.021828
"1178321"	162.434776	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+3H"	3.021828
"438304"	986.598823	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+NH4"	18.033823
"800152"	1470.881323	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+NH4"	18.033823
"1695268"	502.316323	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+NH4"	18.033823
"344764"	493.8030495	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+H+NH4"	19.041099
"738042"	735.9442995	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+H+NH4"	19.041099
"1491245"	251.6617995	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H+NH4"	19.041099
"407374"	991.554218	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+Na"	22.989218
"769459"	1475.836718	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+Na"	22.989218
"1616465"	507.271718	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Na"	22.989218
"325770"	496.280747	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+H+Na"	23.996494
"717098"	738.421997	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+H+Na"	23.996494
"1470919"	254.139497	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H+Na"	23.996494
"1065624"	169.76209	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2H+Na"	25.00377
"1270224"	517.315986	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+CH3OH+H"	33.033486
"389890"	1007.528158	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+K"	38.963158
"749793"	1491.810658	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+K"	38.963158
"1551845"	523.245658	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+K"	38.963158
"310115"	504.267717	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+H+K"	39.970434
"699254"	746.408967	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+H+K"	39.970434
"1453073"	262.126467	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H+K"	39.970434
"240582"	1010.598826	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+ACN+H"	42.033826
"1215477"	526.316326	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+ACN+H"	42.033826
"1199360"	263.661801	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+ACN+2H"	43.041102
"193325"	1013.53616	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+2Na-H"	44.97116
"631793"	1497.81866	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+2Na-H"	44.97116
"1134206"	529.25366	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2Na-H"	44.97116
"180777"	507.271718	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+2Na"	45.978436
"613406"	749.412968	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+2Na"	45.978436
"1120568"	265.130468	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2Na"	45.978436
"1407378"	177.089404	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H+2Na"	46.985712
"1436212"	531.295246	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H+HCOOH"	47.012746
"227002"	512.30474	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+3H2O+2H"	56.04448
"1512879"	545.34729	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+IsoProp+H"	61.06479
"409283"	515.258688	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+Na+K"	61.952376
"773925"	757.399938	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+Na+K"	61.952376
"1673173"	273.117438	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Na+K"	61.952376
"261882"	1032.580768	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+ACN+Na"	64.015768
"1235687"	548.298268	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+ACN+Na"	64.015768
"1726766"	548.321793	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+NH4+HCOOH"	64.039293
"1188833"	184.416718	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+3Na"	68.967654
"1662007"	553.277188	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Na+HCOOH"	68.994688
"166681"	1045.48404	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+2K-H"	76.91904
"610615"	1529.76654	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+2K-H"	76.91904
"1094034"	561.20154	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2K-H"	76.91904
"154132"	523.245658	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"2M+2K"	77.926316
"588226"	765.386908	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"3M+2K"	77.926316
"1082578"	281.104408	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2K"	77.926316
"1113599"	563.216092	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2K+H"	78.933592
"1350716"	563.303707	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+DMSO+H"	79.021207
"1018515"	567.342876	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2ACN+H"	83.060376
"1538826"	568.336508	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+IsoProp+Na+H"	84.054008
"1004788"	284.175076	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+2ACN+2H"	84.067652
"1598682"	569.251128	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+K+HCOOH"	84.968628
"1423249"	599.282638	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+H+CF3COOH"	115.000138
"1155724"	304.688351	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+3ACN+2H"	125.094202
"1701997"	616.309185	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+NH4+CF3COOH"	132.026685
"1637652"	621.26458	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+Na+CF3COOH"	136.98208
"1582054"	637.23852	"C12150"	"Stigmatellin Y"	"C29H40O6"	"484.2825"	"M+K+CF3COOH"	152.95602
"809142"	742.502	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M"	0
"979394"	723.48361	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-H2O-H"	-19.01839
"74199"	493.994057333333	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M-3H"	-3.021828
"517934"	741.494724	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M-3H"	-3.021828
"889375"	246.493390666667	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-3H"	-3.021828
"10136"	741.494724	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M-2H"	-2.014552
"451885"	1112.745724	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M-2H"	-2.014552
"825313"	370.243724	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-2H"	-2.014552
"90770"	1483.996724	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M-H"	-1.007276
"529241"	2226.498724	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M-H"	-1.007276
"906681"	741.494724	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-H"	-1.007276
"57048"	1501.023271	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M-2H+NH4"	16.019271
"497698"	2243.525271	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M-2H+NH4"	16.019271
"874409"	758.521271	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-2H+NH4"	16.019271
"42310"	1505.978666	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M-2H+Na"	20.974666
"484058"	2248.480666	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M-2H+Na"	20.974666
"861859"	763.476666	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-2H+Na"	20.974666
"1624831"	763.476666	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Na-2H"	20.974666
"99173"	759.483063	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M-H+Cl"	33.962126
"542015"	1130.734063	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M-H+Cl"	33.962126
"932257"	388.232063	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-H+Cl"	33.962126
"271908"	1519.973402	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+Cl"	34.969402
"671985"	2262.475402	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+Cl"	34.969402
"1286576"	777.471402	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Cl"	34.969402
"29132"	1521.952606	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M-2H+K"	36.948606
"470884"	2264.454606	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M-2H+K"	36.948606
"848080"	779.450606	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-2H+K"	36.948606
"1568526"	779.450606	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+K-2H"	36.948606
"955681"	787.500194	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-H+HCOOH"	44.998194
"371342"	1530.002201	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+HCOOH-H"	44.998201
"356323"	1544.017851	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+Hac-H"	59.013851
"1502967"	801.515851	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Hac-H"	59.013851
"969783"	809.482151	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-H+NaCOOH"	66.980151
"117600"	777.471402	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+2Cl"	69.938804
"562988"	1148.722402	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+2Cl"	69.938804
"1025959"	406.220402	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2Cl"	69.938804
"1249908"	821.420885	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Br"	78.918885
"1305796"	823.476872	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Cl+HCOOH"	80.974872
"1324021"	845.458829	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Cl+NaCOOH"	102.956829
"914715"	855.487586	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M-H+CF3COOH"	112.985586
"1289235"	891.464264	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Cl+CF3COOH"	148.962264
"1369224"	707.489324	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H-2H2O"	-35.012676
"1386717"	725.4993	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H-H2O"	-17.0027
"290781"	1486.011276	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+H"	1.007276
"686486"	2228.513276	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+H"	1.007276
"1360649"	743.509276	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H"	1.007276
"139006"	743.509276	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+2H"	2.014552
"577474"	1114.760276	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+2H"	2.014552
"1052354"	372.258276	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2H"	2.014552
"219768"	496.008609333333	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+3H"	3.021828
"659082"	743.509276	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+3H"	3.021828
"1177329"	248.507942666667	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+3H"	3.021828
"434040"	1503.037823	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+NH4"	18.033823
"801071"	2245.539823	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+NH4"	18.033823
"1696910"	760.535823	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+NH4"	18.033823
"345116"	752.0225495	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+H+NH4"	19.041099
"738377"	1123.2735495	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+H+NH4"	19.041099
"1490260"	380.7715495	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H+NH4"	19.041099
"408449"	1507.993218	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+Na"	22.989218
"769450"	2250.495218	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+Na"	22.989218
"1615846"	765.491218	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Na"	22.989218
"324789"	754.500247	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+H+Na"	23.996494
"717209"	1125.751247	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+H+Na"	23.996494
"1474310"	383.249247	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H+Na"	23.996494
"1065007"	255.835256666667	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2H+Na"	25.00377
"1263775"	775.535486	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+CH3OH+H"	33.033486
"385626"	1523.967158	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+K"	38.963158
"744435"	2266.469158	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+K"	38.963158
"1551953"	781.465158	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+K"	38.963158
"308034"	762.487217	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+H+K"	39.970434
"693897"	1133.738217	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+H+K"	39.970434
"1448809"	391.236217	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H+K"	39.970434
"236680"	1527.037826	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+ACN+H"	42.033826
"1211211"	784.535826	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+ACN+H"	42.033826
"1196187"	392.771551	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+ACN+2H"	43.041102
"193797"	1529.97516	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+2Na-H"	44.97116
"630442"	2272.47716	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+2Na-H"	44.97116
"1133343"	787.47316	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2Na-H"	44.97116
"173594"	765.491218	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+2Na"	45.978436
"613760"	1136.742218	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+2Na"	45.978436
"1119585"	394.240218	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2Na"	45.978436
"1404207"	263.162570666667	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H+2Na"	46.985712
"1430854"	789.514746	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H+HCOOH"	47.012746
"221645"	770.52424	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+3H2O+2H"	56.04448
"1512989"	803.56679	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+IsoProp+H"	61.06479
"409025"	773.478188	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+Na+K"	61.952376
"770755"	1144.729188	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+Na+K"	61.952376
"1673286"	402.227188	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Na+K"	61.952376
"256523"	1549.019768	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+ACN+Na"	64.015768
"1232516"	806.517768	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+ACN+Na"	64.015768
"1722496"	806.541293	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+NH4+HCOOH"	64.039293
"1186756"	270.489884666667	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+3Na"	68.967654
"1662117"	811.496688	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Na+HCOOH"	68.994688
"165699"	1561.92304	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+2K-H"	76.91904
"608540"	2304.42504	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+2K-H"	76.91904
"1098519"	819.42104	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2K-H"	76.91904
"154243"	781.465158	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"2M+2K"	77.926316
"590524"	1152.716158	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"3M+2K"	77.926316
"1078316"	410.214158	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2K"	77.926316
"1113711"	821.435592	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2K+H"	78.933592
"1346816"	821.523207	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+DMSO+H"	79.021207
"1016442"	825.562376	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2ACN+H"	83.060376
"1531282"	826.556008	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+IsoProp+Na+H"	84.054008
"1002105"	413.284826	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+2ACN+2H"	84.067652
"1596608"	827.470628	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+K+HCOOH"	84.968628
"1421173"	857.502138	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+H+CF3COOH"	115.000138
"1153651"	433.798101	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+3ACN+2H"	125.094202
"1701014"	874.528685	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+NH4+CF3COOH"	132.026685
"1637760"	879.48408	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+Na+CF3COOH"	136.98208
"1575602"	895.45802	"C12151"	"Mycolactone"	"C44H70O9"	"742.502"	"M+K+CF3COOH"	152.95602
"814719"	769.4249	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M"	0
"984971"	750.40651	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-H2O-H"	-19.01839
"76497"	511.942657333333	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M-3H"	-3.021828
"518002"	768.417624	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M-3H"	-3.021828
"893858"	255.467690666667	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-3H"	-3.021828
"11340"	768.417624	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M-2H"	-2.014552
"454182"	1153.130074	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M-2H"	-2.014552
"831621"	383.705174	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-2H"	-2.014552
"93067"	1537.842524	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M-H"	-1.007276
"529353"	2307.267424	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M-H"	-1.007276
"904971"	768.417624	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-H"	-1.007276
"57158"	1554.869071	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M-2H+NH4"	16.019271
"494529"	2324.293971	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M-2H+NH4"	16.019271
"873424"	785.444171	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-2H+NH4"	16.019271
"44605"	1559.824466	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M-2H+Na"	20.974666
"484166"	2329.249366	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M-2H+Na"	20.974666
"858689"	790.399566	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-2H+Na"	20.974666
"1628222"	790.399566	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Na-2H"	20.974666
"100380"	786.405963	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M-H+Cl"	33.962126
"545406"	1171.118413	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M-H+Cl"	33.962126
"932367"	401.693513	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-H+Cl"	33.962126
"272018"	1573.819202	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+Cl"	34.969402
"672095"	2343.244102	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+Cl"	34.969402
"1288233"	804.394302	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Cl"	34.969402
"31151"	1575.798406	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M-2H+K"	36.948606
"470269"	2345.223306	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M-2H+K"	36.948606
"847704"	806.373506	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-2H+K"	36.948606
"1568634"	806.373506	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+K-2H"	36.948606
"956520"	814.423094	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-H+HCOOH"	44.998194
"371090"	1583.848001	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+HCOOH-H"	44.998201
"358619"	1597.863651	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+Hac-H"	59.013851
"1499797"	828.438751	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Hac-H"	59.013851
"968799"	836.405051	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-H+NaCOOH"	66.980151
"118802"	804.394302	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+2Cl"	69.938804
"557269"	1189.106752	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+2Cl"	69.938804
"1032627"	419.681852	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2Cl"	69.938804
"1244553"	848.343785	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Br"	78.918885
"1304449"	850.399772	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Cl+HCOOH"	80.974872
"1324498"	872.381729	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Cl+NaCOOH"	102.956829
"912638"	882.410486	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M-H+CF3COOH"	112.985586
"1290803"	918.387164	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Cl+CF3COOH"	148.962264
"1370427"	734.412224	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H-2H2O"	-35.012676
"1387923"	752.4222	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H-H2O"	-17.0027
"287611"	1539.857076	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+H"	1.007276
"689512"	2309.281976	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+H"	1.007276
"1358572"	770.432176	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H"	1.007276
"134741"	770.432176	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+2H"	2.014552
"574301"	1155.144626	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+2H"	2.014552
"1048570"	385.719726	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2H"	2.014552
"219551"	513.957209333333	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+3H"	3.021828
"657857"	770.432176	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+3H"	3.021828
"1175252"	257.482242666667	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+3H"	3.021828
"435243"	1556.883623	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+NH4"	18.033823
"797332"	2326.308523	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+NH4"	18.033823
"1695853"	787.458723	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+NH4"	18.033823
"343402"	778.9454495	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+H+NH4"	19.041099
"737281"	1163.6578995	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+H+NH4"	19.041099
"1491586"	394.2329995	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H+NH4"	19.041099
"407351"	1561.839018	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+Na"	22.989218
"768466"	2331.263918	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+Na"	22.989218
"1611580"	792.414118	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Na"	22.989218
"320525"	781.423147	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+H+Na"	23.996494
"716226"	1166.135597	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+H+Na"	23.996494
"1470046"	396.710697	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H+Na"	23.996494
"1061106"	264.809556666667	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2H+Na"	25.00377
"1267166"	802.458386	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+CH3OH+H"	33.033486
"383550"	1577.812958	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+K"	38.963158
"744546"	2347.237858	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+K"	38.963158
"1546597"	808.388058	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+K"	38.963158
"303771"	789.410117	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+H+K"	39.970434
"693279"	1174.122567	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+H+K"	39.970434
"1450013"	404.697667	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H+K"	39.970434
"236792"	1580.883626	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+ACN+H"	42.033826
"1211080"	811.458726	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+ACN+H"	42.033826
"1195082"	406.233001	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+ACN+2H"	43.041102
"191358"	1583.82096	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+2Na-H"	44.97116
"632010"	2353.24586	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+2Na-H"	44.97116
"1132600"	814.39606	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2Na-H"	44.97116
"174188"	792.414118	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+2Na"	45.978436
"614840"	1177.126568	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+2Na"	45.978436
"1116524"	407.701668	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2Na"	45.978436
"1399450"	272.136870666667	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H+2Na"	46.985712
"1431690"	816.437646	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H+HCOOH"	47.012746
"225032"	797.44714	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+3H2O+2H"	56.04448
"1515285"	830.48969	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+IsoProp+H"	61.06479
"412784"	800.401088	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+Na+K"	61.952376
"771957"	1185.113538	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+Na+K"	61.952376
"1669019"	415.688638	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Na+K"	61.952376
"256633"	1602.865568	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+ACN+Na"	64.015768
"1233720"	833.440668	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+ACN+Na"	64.015768
"1722606"	833.464193	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+NH4+HCOOH"	64.039293
"1187960"	279.464184666667	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+3Na"	68.967654
"1660041"	838.419588	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Na+HCOOH"	68.994688
"165809"	1615.76884	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+2K-H"	76.91904
"605369"	2385.19374	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+2K-H"	76.91904
"1095349"	846.34394	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2K-H"	76.91904
"151071"	808.388058	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"2M+2K"	77.926316
"591726"	1193.100508	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"3M+2K"	77.926316
"1077333"	423.675608	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2K"	77.926316
"1110540"	848.358492	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2K+H"	78.933592
"1343645"	848.446107	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+DMSO+H"	79.021207
"1018734"	852.485276	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2ACN+H"	83.060376
"1531394"	853.478908	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+IsoProp+Na+H"	84.054008
"996749"	426.746276	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+2ACN+2H"	84.067652
"1597810"	854.393528	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+K+HCOOH"	84.968628
"1421286"	884.425038	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+H+CF3COOH"	115.000138
"1152666"	447.259551	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+3ACN+2H"	125.094202
"1697481"	901.451585	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+NH4+CF3COOH"	132.026685
"1638964"	906.40698	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+Na+CF3COOH"	136.98208
"1578993"	922.38092	"C12152"	"Niddamycin"	"C39H63NO14"	"769.4249"	"M+K+CF3COOH"	152.95602
"814829"	493.2498	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M"	0
"985082"	474.23141	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-H2O-H"	-19.01839
"78031"	327.825924	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M-3H"	-3.021828
"518324"	492.242524	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M-3H"	-3.021828
"891783"	163.409324	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-3H"	-3.021828
"12544"	492.242524	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M-2H"	-2.014552
"454659"	738.867424	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M-2H"	-2.014552
"831734"	245.617624	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-2H"	-2.014552
"93908"	985.492324	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M-H"	-1.007276
"529458"	1478.742124	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M-H"	-1.007276
"907265"	492.242524	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-H"	-1.007276
"59454"	1002.518871	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M-2H+NH4"	16.019271
"496826"	1495.768671	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M-2H+NH4"	16.019271
"875720"	509.269071	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-2H+NH4"	16.019271
"43621"	1007.474266	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M-2H+Na"	20.974666
"484276"	1500.724066	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M-2H+Na"	20.974666
"861716"	514.224466	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-2H+Na"	20.974666
"1625052"	514.224466	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Na-2H"	20.974666
"100490"	510.230863	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M-H+Cl"	33.962126
"542236"	756.855763	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M-H+Cl"	33.962126
"935757"	263.605963	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-H+Cl"	33.962126
"272128"	1021.469002	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+Cl"	34.969402
"671841"	1514.718802	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+Cl"	34.969402
"1288352"	528.219202	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Cl"	34.969402
"31294"	1023.448206	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M-2H+K"	36.948606
"470784"	1516.698006	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M-2H+K"	36.948606
"846722"	530.198406	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-2H+K"	36.948606
"1570203"	530.198406	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+K-2H"	36.948606
"958174"	538.247994	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-H+HCOOH"	44.998194
"374846"	1031.497801	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+HCOOH-H"	44.998201
"358000"	1045.513451	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+Hac-H"	59.013851
"1506468"	552.263651	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Hac-H"	59.013851
"965625"	560.229951	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-H+NaCOOH"	66.980151
"121097"	528.219202	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+2Cl"	69.938804
"558472"	774.844102	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+2Cl"	69.938804
"1030553"	281.594302	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2Cl"	69.938804
"1250130"	572.168685	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Br"	78.918885
"1305532"	574.224672	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Cl+HCOOH"	80.974872
"1327889"	596.206629	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Cl+NaCOOH"	102.956829
"914575"	606.235386	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M-H+CF3COOH"	112.985586
"1294561"	642.212064	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Cl+CF3COOH"	148.962264
"1369444"	458.237124	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H-2H2O"	-35.012676
"1386940"	476.2471	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H-H2O"	-17.0027
"287721"	987.506876	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+H"	1.007276
"684517"	1480.756676	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+H"	1.007276
"1361962"	494.257076	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H"	1.007276
"135945"	494.257076	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+2H"	2.014552
"576598"	740.881976	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+2H"	2.014552
"1050867"	247.632176	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2H"	2.014552
"218770"	329.840476	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+3H"	3.021828
"657967"	494.257076	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+3H"	3.021828
"1175362"	165.423876	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+3H"	3.021828
"434260"	1004.533423	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+NH4"	18.033823
"798536"	1497.783223	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+NH4"	18.033823
"1696329"	511.283623	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+NH4"	18.033823
"343512"	502.7703495	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+H+NH4"	19.041099
"738202"	749.3952495	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+H+NH4"	19.041099
"1492068"	256.1454495	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H+NH4"	19.041099
"408401"	1009.488818	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+Na"	22.989218
"769673"	1502.738618	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+Na"	22.989218
"1613878"	516.239018	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Na"	22.989218
"325010"	505.248047	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+H+Na"	23.996494
"715242"	751.872947	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+H+Na"	23.996494
"1472345"	258.623147	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H+Na"	23.996494
"1061216"	172.75119	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2H+Na"	25.00377
"1269462"	526.283286	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+CH3OH+H"	33.033486
"383663"	1025.462758	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+K"	38.963158
"747938"	1518.712558	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+K"	38.963158
"1549989"	532.212958	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+K"	38.963158
"308257"	513.235017	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+H+K"	39.970434
"693027"	759.859917	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+H+K"	39.970434
"1450124"	266.610117	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H+K"	39.970434
"238361"	1028.533426	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+ACN+H"	42.033826
"1213985"	535.283626	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+ACN+H"	42.033826
"1196046"	268.145451	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+ACN+2H"	43.041102
"192562"	1031.47076	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+2Na-H"	44.97116
"629571"	1524.72056	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+2Na-H"	44.97116
"1131428"	538.22096	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2Na-H"	44.97116
"173126"	516.239018	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+2Na"	45.978436
"615198"	762.863918	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+2Na"	45.978436
"1117732"	269.614118	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2Na"	45.978436
"1399437"	180.078504	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H+2Na"	46.985712
"1433258"	540.262546	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H+HCOOH"	47.012746
"227330"	521.27204	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+3H2O+2H"	56.04448
"1515396"	554.31459	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+IsoProp+H"	61.06479
"410708"	524.225988	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+Na+K"	61.952376
"772795"	770.850888	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+Na+K"	61.952376
"1673504"	277.601088	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Na+K"	61.952376
"258930"	1050.515368	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+ACN+Na"	64.015768
"1234922"	557.265568	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+ACN+Na"	64.015768
"1719433"	557.289093	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+NH4+HCOOH"	64.039293
"1189161"	187.405818	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+3Na"	68.967654
"1659055"	562.244488	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Na+HCOOH"	68.994688
"171385"	1063.41864	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+2K-H"	76.91904
"610945"	1556.66844	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+2K-H"	76.91904
"1095456"	570.16884	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2K-H"	76.91904
"150086"	532.212958	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"2M+2K"	77.926316
"592929"	778.837858	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"3M+2K"	77.926316
"1078534"	285.588058	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2K"	77.926316
"1106274"	572.183392	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2K+H"	78.933592
"1344847"	572.271007	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+DMSO+H"	79.021207
"1017750"	576.310176	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2ACN+H"	83.060376
"1533690"	577.303808	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+IsoProp+Na+H"	84.054008
"997950"	288.658726	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+2ACN+2H"	84.067652
"1595733"	578.218428	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+K+HCOOH"	84.968628
"1421396"	608.249938	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+H+CF3COOH"	115.000138
"1153870"	309.172001	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+3ACN+2H"	125.094202
"1697954"	625.276485	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+NH4+CF3COOH"	132.026685
"1641261"	630.23188	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+Na+CF3COOH"	136.98208
"1582384"	646.20582	"C12153"	"Epothilone A"	"C26H39NO6S"	"493.2498"	"M+K+CF3COOH"	152.95602
"809472"	507.2655	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M"	0
"978631"	488.24711	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-H2O-H"	-19.01839
"77447"	337.169724	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M-3H"	-3.021828
"515183"	506.258224	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M-3H"	-3.021828
"892986"	168.081224	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-3H"	-3.021828
"10467"	506.258224	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M-2H"	-2.014552
"450026"	759.890974	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M-2H"	-2.014552
"827827"	252.625474	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-2H"	-2.014552
"90007"	1013.523724	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M-H"	-1.007276
"526288"	1520.789224	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M-H"	-1.007276
"905188"	506.258224	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-H"	-1.007276
"56284"	1030.550271	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M-2H+NH4"	16.019271
"496935"	1537.815771	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M-2H+NH4"	16.019271
"874735"	523.284771	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-2H+NH4"	16.019271
"42636"	1035.505666	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M-2H+Na"	20.974666
"483289"	1542.771166	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M-2H+Na"	20.974666
"858905"	528.240166	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-2H+Na"	20.974666
"1620057"	528.240166	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Na-2H"	20.974666
"99505"	524.246563	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M-H+Cl"	33.962126
"537240"	777.879313	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M-H+Cl"	33.962126
"928938"	270.613813	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-H+Cl"	33.962126
"272238"	1049.500402	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+Cl"	34.969402
"671222"	1556.765902	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+Cl"	34.969402
"1282531"	542.234902	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Cl"	34.969402
"25088"	1051.479606	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M-2H+K"	36.948606
"470731"	1558.745106	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M-2H+K"	36.948606
"848126"	544.214106	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-2H+K"	36.948606
"1564845"	544.214106	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+K-2H"	36.948606
"952730"	552.263694	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-H+HCOOH"	44.998194
"373133"	1059.529201	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+HCOOH-H"	44.998201
"352641"	1073.544851	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+Hac-H"	59.013851
"1502567"	566.279351	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Hac-H"	59.013851
"969015"	574.245651	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-H+NaCOOH"	66.980151
"116828"	542.234902	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+2Cl"	69.938804
"560764"	795.867652	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+2Cl"	69.938804
"1027376"	288.602152	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2Cl"	69.938804
"1251334"	586.184385	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Br"	78.918885
"1313782"	588.240372	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Cl+HCOOH"	80.974872
"1324718"	610.222329	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Cl+NaCOOH"	102.956829
"914685"	620.251086	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M-H+CF3COOH"	112.985586
"1292484"	656.227764	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Cl+CF3COOH"	148.962264
"1369554"	472.252824	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H-2H2O"	-35.012676
"1390330"	490.2628	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H-H2O"	-17.0027
"287831"	1015.538276	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+H"	1.007276
"681347"	1522.803776	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+H"	1.007276
"1360977"	508.272776	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H"	1.007276
"137877"	508.272776	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+2H"	2.014552
"576708"	761.905526	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+2H"	2.014552
"1049883"	254.640026	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2H"	2.014552
"218516"	339.184276	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+3H"	3.021828
"659171"	508.272776	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+3H"	3.021828
"1174379"	170.095776	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+3H"	3.021828
"435463"	1032.564823	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+NH4"	18.033823
"800835"	1539.830323	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+NH4"	18.033823
"1695342"	525.299323	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+NH4"	18.033823
"344350"	516.7860495	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+H+NH4"	19.041099
"738474"	770.4187995	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+H+NH4"	19.041099
"1491442"	263.1532995	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H+NH4"	19.041099
"408409"	1037.520218	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+Na"	22.989218
"768931"	1544.785718	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+Na"	22.989218
"1611801"	530.254718	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Na"	22.989218
"321840"	519.263747	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+H+Na"	23.996494
"712437"	772.896497	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+H+Na"	23.996494
"1471360"	265.630997	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H+Na"	23.996494
"1060233"	177.42309	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2H+Na"	25.00377
"1268479"	540.298986	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+CH3OH+H"	33.033486
"384865"	1053.494158	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+K"	38.963158
"746954"	1560.759658	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+K"	38.963158
"1546818"	546.228658	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+K"	38.963158
"306178"	527.250717	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+H+K"	39.970434
"692772"	780.883467	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+H+K"	39.970434
"1446956"	273.617967	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H+K"	39.970434
"236044"	1056.564826	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+ACN+H"	42.033826
"1211666"	549.299326	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+ACN+H"	42.033826
"1195426"	275.153301	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+ACN+2H"	43.041102
"189189"	1059.50216	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+2Na-H"	44.97116
"630408"	1566.76766	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+2Na-H"	44.97116
"1132456"	552.23666	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2Na-H"	44.97116
"173435"	530.254718	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+2Na"	45.978436
"616407"	783.887468	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+2Na"	45.978436
"1115894"	276.621968	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2Na"	45.978436
"1398941"	184.750404	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H+2Na"	46.985712
"1433368"	554.278246	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H+HCOOH"	47.012746
"226347"	535.28774	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+3H2O+2H"	56.04448
"1512589"	568.33029	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+IsoProp+H"	61.06479
"413003"	538.241688	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+Na+K"	61.952376
"772903"	791.874438	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+Na+K"	61.952376
"1666682"	284.608938	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Na+K"	61.952376
"255759"	1078.546768	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+ACN+Na"	64.015768
"1233936"	571.281268	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+ACN+Na"	64.015768
"1718450"	571.304793	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+NH4+HCOOH"	64.039293
"1189271"	192.077718	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+3Na"	68.967654
"1654792"	576.260188	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Na+HCOOH"	68.994688
"161650"	1091.45004	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+2K-H"	76.91904
"609962"	1598.71554	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+2K-H"	76.91904
"1094473"	584.18454	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2K-H"	76.91904
"150195"	546.228658	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"2M+2K"	77.926316
"591945"	799.861408	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"3M+2K"	77.926316
"1077550"	292.595908	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2K"	77.926316
"1108571"	586.199092	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2K+H"	78.933592
"1344957"	586.286707	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+DMSO+H"	79.021207
"1014580"	590.325876	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2ACN+H"	83.060376
"1532704"	591.319508	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+IsoProp+Na+H"	84.054008
"994780"	295.666576	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+2ACN+2H"	84.067652
"1596936"	592.234128	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+K+HCOOH"	84.968628
"1422599"	622.265638	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+H+CF3COOH"	115.000138
"1151793"	316.179851	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+3ACN+2H"	125.094202
"1698064"	639.292185	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+NH4+CF3COOH"	132.026685
"1641371"	644.24758	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+Na+CF3COOH"	136.98208
"1582494"	660.22152	"C12154"	"Epothilone B;Patupilone"	"C27H41NO6S"	"507.2655"	"M+K+CF3COOH"	152.95602
"813957"	925.5035	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M"	0
"979834"	906.48511	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-H2O-H"	-19.01839
"76827"	615.995057333333	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M-3H"	-3.021828
"517116"	924.496224	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M-3H"	-3.021828
"892003"	307.493890666667	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-3H"	-3.021828
"10577"	924.496224	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M-2H"	-2.014552
"450136"	1387.247974	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M-2H"	-2.014552
"826844"	461.744474	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-2H"	-2.014552
"86837"	1849.999724	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M-H"	-1.007276
"526398"	2775.503224	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M-H"	-1.007276
"906391"	924.496224	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-H"	-1.007276
"56394"	1867.026271	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M-2H+NH4"	16.019271
"491579"	2792.529771	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M-2H+NH4"	16.019271
"871566"	941.522771	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-2H+NH4"	16.019271
"34000"	1871.981666	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M-2H+Na"	20.974666
"473560"	2797.485166	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M-2H+Na"	20.974666
"857921"	946.478166	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-2H+Na"	20.974666
"1619194"	946.478166	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Na-2H"	20.974666
"95604"	942.484563	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M-H+Cl"	33.962126
"535893"	1405.236313	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M-H+Cl"	33.962126
"929049"	479.732813	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-H+Cl"	33.962126
"270889"	1885.976402	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+Cl"	34.969402
"671332"	2811.479902	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+Cl"	34.969402
"1280454"	960.472902	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Cl"	34.969402
"21918"	1887.955606	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M-2H+K"	36.948606
"470718"	2813.459106	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M-2H+K"	36.948606
"839280"	962.452106	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-2H+K"	36.948606
"1562769"	962.452106	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+K-2H"	36.948606
"950652"	970.501694	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-H+HCOOH"	44.998194
"368869"	1896.005201	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+HCOOH-H"	44.998201
"352751"	1910.020851	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+Hac-H"	59.013851
"1502677"	984.517351	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Hac-H"	59.013851
"968032"	992.483651	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-H+NaCOOH"	66.980151
"114751"	960.472902	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+2Cl"	69.938804
"559781"	1423.224652	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+2Cl"	69.938804
"1032956"	497.721152	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2Cl"	69.938804
"1251809"	1004.422385	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Br"	78.918885
"1317901"	1006.478372	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Cl+HCOOH"	80.974872
"1324828"	1028.460329	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Cl+NaCOOH"	102.956829
"912608"	1038.489086	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M-H+CF3COOH"	112.985586
"1292594"	1074.465764	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Cl+CF3COOH"	148.962264
"1371850"	890.490824	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H-2H2O"	-35.012676
"1390440"	908.5008	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H-H2O"	-17.0027
"289035"	1852.014276	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+H"	1.007276
"685832"	2777.517776	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+H"	1.007276
"1358901"	926.510776	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H"	1.007276
"133978"	926.510776	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+2H"	2.014552
"574631"	1389.262526	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+2H"	2.014552
"1047806"	463.759026	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2H"	2.014552
"217530"	618.009609333333	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+3H"	3.021828
"655269"	926.510776	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+3H"	3.021828
"1174489"	309.508442666667	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+3H"	3.021828
"435571"	1869.040823	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+NH4"	18.033823
"797660"	2794.544323	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+NH4"	18.033823
"1693266"	943.537323	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+NH4"	18.033823
"344584"	935.0240495	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+H+NH4"	19.041099
"738331"	1397.7757995	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+H+NH4"	19.041099
"1492364"	472.2722995	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H+NH4"	19.041099
"408046"	1873.996218	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+Na"	22.989218
"766000"	2799.499718	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+Na"	22.989218
"1611911"	948.492718	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Na"	22.989218
"320854"	937.501747	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+H+Na"	23.996494
"715461"	1400.253497	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+H+Na"	23.996494
"1473656"	474.749997	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H+Na"	23.996494
"1060339"	316.835756666667	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2H+Na"	25.00377
"1266402"	958.536986	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+CH3OH+H"	33.033486
"380602"	1889.970158	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+K"	38.963158
"743784"	2815.473658	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+K"	38.963158
"1543649"	964.466658	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+K"	38.963158
"304102"	945.488717	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+H+K"	39.970434
"691786"	1408.240467	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+H+K"	39.970434
"1446214"	482.736967	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H+K"	39.970434
"236030"	1893.040826	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+ACN+H"	42.033826
"1210685"	967.537326	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+ACN+H"	42.033826
"1195537"	484.272301	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+ACN+2H"	43.041102
"190228"	1895.97816	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+2Na-H"	44.97116
"630518"	2821.48166	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+2Na-H"	44.97116
"1133293"	970.47466	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2Na-H"	44.97116
"173263"	948.492718	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+2Na"	45.978436
"615422"	1411.244468	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+2Na"	45.978436
"1116617"	485.740968	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2Na"	45.978436
"1399293"	324.163070666667	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H+2Na"	46.985712
"1431656"	972.516246	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H+HCOOH"	47.012746
"224271"	953.52574	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+3H2O+2H"	56.04448
"1512335"	986.56829	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+IsoProp+H"	61.06479
"412020"	956.479688	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+Na+K"	61.952376
"775202"	1419.231438	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+Na+K"	61.952376
"1668617"	493.727938	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Na+K"	61.952376
"252586"	1915.022768	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+ACN+Na"	64.015768
"1227484"	989.519268	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+ACN+Na"	64.015768
"1717466"	989.542793	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+NH4+HCOOH"	64.039293
"1183915"	331.490384666667	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+3Na"	68.967654
"1654902"	994.498188	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Na+HCOOH"	68.994688
"165042"	1927.92604	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+2K-H"	76.91904
"610072"	2853.42954	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+2K-H"	76.91904
"1094584"	1002.42254	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2K-H"	76.91904
"150306"	964.466658	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"2M+2K"	77.926316
"594243"	1427.218408	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"3M+2K"	77.926316
"1081913"	501.714908	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2K"	77.926316
"1110868"	1004.437092	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2K+H"	78.933592
"1346159"	1004.524707	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+DMSO+H"	79.021207
"1011411"	1008.563876	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2ACN+H"	83.060376
"1529535"	1009.557508	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+IsoProp+Na+H"	84.054008
"990879"	504.785576	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+2ACN+2H"	84.067652
"1590486"	1010.472128	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+K+HCOOH"	84.968628
"1419426"	1040.503638	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+H+CF3COOH"	115.000138
"1150809"	525.298851	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+3ACN+2H"	125.094202
"1697446"	1057.530185	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+NH4+CF3COOH"	132.026685
"1639294"	1062.48558	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+Na+CF3COOH"	136.98208
"1582604"	1078.45952	"C12155"	"Nystatin A1"	"C47H75NO17"	"925.5035"	"M+K+CF3COOH"	152.95602
"812973"	1055.5665	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M"	0
"979944"	1036.54811	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-H2O-H"	-19.01839
"78033"	702.703724	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M-3H"	-3.021828
"515403"	1054.559224	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M-3H"	-3.021828
"893205"	350.848224	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-3H"	-3.021828
"11780"	1054.559224	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M-2H"	-2.014552
"454621"	1582.342474	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M-2H"	-2.014552
"830234"	526.775974	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-2H"	-2.014552
"88040"	2110.125724	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M-H"	-1.007276
"526508"	3165.692224	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M-H"	-1.007276
"904314"	1054.559224	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-H"	-1.007276
"57233"	2127.152271	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M-2H+NH4"	16.019271
"496062"	3182.718771	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M-2H+NH4"	16.019271
"871676"	1071.585771	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-2H+NH4"	16.019271
"39579"	2132.107666	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M-2H+Na"	20.974666
"479138"	3187.674166	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M-2H+Na"	20.974666
"860220"	1076.541166	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-2H+Na"	20.974666
"1619914"	1076.541166	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Na-2H"	20.974666
"96443"	1072.547563	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M-H+Cl"	33.962126
"536003"	1600.330813	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M-H+Cl"	33.962126
"930252"	544.764313	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-H+Cl"	33.962126
"267379"	2146.102402	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+Cl"	34.969402
"671443"	3201.668902	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+Cl"	34.969402
"1279104"	1090.535902	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Cl"	34.969402
"27497"	2148.081606	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M-2H+K"	36.948606
"460130"	3203.648106	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M-2H+K"	36.948606
"838298"	1092.515106	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-2H+K"	36.948606
"1566162"	1092.515106	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+K-2H"	36.948606
"948577"	1100.564694	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-H+HCOOH"	44.998194
"365330"	2156.131201	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+HCOOH-H"	44.998201
"348119"	2170.146851	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+Hac-H"	59.013851
"1496227"	1114.580351	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Hac-H"	59.013851
"963768"	1122.546651	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-H+NaCOOH"	66.980151
"115956"	1090.535902	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+2Cl"	69.938804
"554418"	1618.319152	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+2Cl"	69.938804
"1025770"	562.752652	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2Cl"	69.938804
"1252644"	1134.485385	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Br"	78.918885
"1315096"	1136.541372	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Cl+HCOOH"	80.974872
"1326031"	1158.523329	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Cl+NaCOOH"	102.956829
"917091"	1168.552086	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M-H+CF3COOH"	112.985586
"1292707"	1204.528764	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Cl+CF3COOH"	148.962264
"1371960"	1020.553824	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H-2H2O"	-35.012676
"1384714"	1038.5638	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H-H2O"	-17.0027
"287318"	2112.140276	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+H"	1.007276
"680473"	3167.706776	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+H"	1.007276
"1362293"	1056.573776	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H"	1.007276
"136276"	1056.573776	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+2H"	2.014552
"574741"	1584.357026	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+2H"	2.014552
"1045727"	528.790526	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2H"	2.014552
"215816"	704.718276	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+3H"	3.021828
"657565"	1056.573776	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+3H"	3.021828
"1177637"	352.862776	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+3H"	3.021828
"437868"	2129.166823	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+NH4"	18.033823
"799959"	3184.733323	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+NH4"	18.033823
"1693740"	1073.600323	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+NH4"	18.033823
"345264"	1065.0870495	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+H+NH4"	19.041099
"737355"	1592.8702995	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+H+NH4"	19.041099
"1491904"	537.3037995	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H+NH4"	19.041099
"408241"	2134.122218	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+Na"	22.989218
"769887"	3189.688718	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+Na"	22.989218
"1613114"	1078.555718	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Na"	22.989218
"323153"	1067.564747	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+H+Na"	23.996494
"714480"	1595.347997	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+H+Na"	23.996494
"1468300"	539.781497	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H+Na"	23.996494
"1064824"	360.19009	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2H+Na"	25.00377
"1269792"	1088.599986	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+CH3OH+H"	33.033486
"380712"	2150.096158	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+K"	38.963158
"742800"	3205.662658	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+K"	38.963158
"1548133"	1094.529658	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+K"	38.963158
"303120"	1075.551717	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+H+K"	39.970434
"692265"	1603.334967	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+H+K"	39.970434
"1449363"	547.768467	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H+K"	39.970434
"236874"	2153.166826	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+ACN+H"	42.033826
"1213953"	1097.600326	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+ACN+H"	42.033826
"1197837"	549.303801	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+ACN+2H"	43.041102
"190341"	2156.10416	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+2Na-H"	44.97116
"632453"	3211.67066	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+2Na-H"	44.97116
"1133772"	1100.53766	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2Na-H"	44.97116
"173823"	1078.555718	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+2Na"	45.978436
"614439"	1606.338968	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+2Na"	45.978436
"1116479"	550.772468	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2Na"	45.978436
"1398833"	367.517404	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H+2Na"	46.985712
"1431401"	1102.579246	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H+HCOOH"	47.012746
"228758"	1083.58874	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+3H2O+2H"	56.04448
"1521193"	1116.63129	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+IsoProp+H"	61.06479
"413952"	1086.542688	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+Na+K"	61.952376
"777501"	1614.325938	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+Na+K"	61.952376
"1670551"	558.759438	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Na+K"	61.952376
"259261"	2175.148768	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+ACN+Na"	64.015768
"1235250"	1119.582268	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+ACN+Na"	64.015768
"1725230"	1119.605793	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+NH4+HCOOH"	64.039293
"1193502"	374.844718	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+3Na"	68.967654
"1663758"	1124.561188	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Na+HCOOH"	68.994688
"170620"	2188.05204	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+2K-H"	76.91904
"611277"	3243.61854	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+2K-H"	76.91904
"1096879"	1132.48554	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2K-H"	76.91904
"156373"	1094.529658	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"2M+2K"	77.926316
"594719"	1622.312908	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"3M+2K"	77.926316
"1078863"	566.746408	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2K"	77.926316
"1114866"	1134.500092	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2K+H"	78.933592
"1348458"	1134.587707	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+DMSO+H"	79.021207
"1015895"	1138.626876	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2ACN+H"	83.060376
"1527459"	1139.620508	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+IsoProp+Na+H"	84.054008
"991112"	569.817076	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+2ACN+2H"	84.067652
"1590597"	1140.535128	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+K+HCOOH"	84.968628
"1418443"	1170.566638	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+H+CF3COOH"	115.000138
"1149827"	590.330351	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+3ACN+2H"	125.094202
"1698650"	1187.593185	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+NH4+CF3COOH"	132.026685
"1636124"	1192.54858	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+Na+CF3COOH"	136.98208
"1582714"	1208.52252	"C12156"	"Nystatin A3"	"C53H85NO20"	"1055.5665"	"M+K+CF3COOH"	152.95602
"813083"	419.3036	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M"	0
"983334"	400.28521	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-H2O-H"	-19.01839
"71576"	278.528457333333	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M-3H"	-3.021828
"517698"	418.296324	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M-3H"	-3.021828
"895533"	138.760590666667	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-3H"	-3.021828
"11888"	418.296324	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M-2H"	-2.014552
"455588"	627.948124	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M-2H"	-2.014552
"829252"	208.644524	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-2H"	-2.014552
"88150"	837.599924	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M-H"	-1.007276
"526618"	1256.903524	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M-H"	-1.007276
"907339"	418.296324	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-H"	-1.007276
"56613"	854.626471	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M-2H+NH4"	16.019271
"493985"	1273.930071	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M-2H+NH4"	16.019271
"866683"	435.322871	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-2H+NH4"	16.019271
"37502"	859.581866	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M-2H+Na"	20.974666
"477061"	1278.885466	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M-2H+Na"	20.974666
"857049"	440.278266	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-2H+Na"	20.974666
"1621117"	440.278266	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Na-2H"	20.974666
"97646"	436.284663	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M-H+Cl"	33.962126
"536477"	645.936463	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M-H+Cl"	33.962126
"930362"	226.632863	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-H+Cl"	33.962126
"271837"	873.576602	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+Cl"	34.969402
"667178"	1292.880202	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+Cl"	34.969402
"1282864"	454.273002	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Cl"	34.969402
"27607"	875.555806	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M-2H+K"	36.948606
"460605"	1294.859406	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M-2H+K"	36.948606
"841688"	456.252206	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-2H+K"	36.948606
"1565179"	456.252206	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+K-2H"	36.948606
"948687"	464.301794	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-H+HCOOH"	44.998194
"366900"	883.605401	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+HCOOH-H"	44.998201
"350783"	897.621051	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+Hac-H"	59.013851
"1498523"	478.317451	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Hac-H"	59.013851
"962784"	486.283751	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-H+NaCOOH"	66.980151
"114972"	454.273002	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+2Cl"	69.938804
"555260"	663.924802	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+2Cl"	69.938804
"1024420"	244.621202	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2Cl"	69.938804
"1252754"	498.222485	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Br"	78.918885
"1314107"	500.278472	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Cl+HCOOH"	80.974872
"1325043"	522.260429	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Cl+NaCOOH"	102.956829
"916107"	532.289186	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M-H+CF3COOH"	112.985586
"1293910"	568.265864	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Cl+CF3COOH"	148.962264
"1370245"	384.290924	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H-2H2O"	-35.012676
"1390659"	402.3009	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H-H2O"	-17.0027
"294722"	839.614476	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+H"	1.007276
"686050"	1258.918076	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+H"	1.007276
"1364586"	420.310876	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H"	1.007276
"137478"	420.310876	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+2H"	2.014552
"581048"	629.962676	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+2H"	2.014552
"1052277"	210.659076	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2H"	2.014552
"218113"	280.543009333333	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+3H"	3.021828
"655488"	420.310876	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+3H"	3.021828
"1177260"	140.775142666667	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+3H"	3.021828
"437859"	856.641023	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+NH4"	18.033823
"799708"	1275.944623	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+NH4"	18.033823
"1695673"	437.337423	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+NH4"	18.033823
"345416"	428.8241495	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+H+NH4"	19.041099
"738445"	638.4759495	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+H+NH4"	19.041099
"1492303"	219.1723495	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H+NH4"	19.041099
"408391"	861.596418	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+Na"	22.989218
"767313"	1280.900018	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+Na"	22.989218
"1612130"	442.292818	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Na"	22.989218
"322168"	431.301847	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+H+Na"	23.996494
"714590"	640.953647	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+H+Na"	23.996494
"1467316"	221.650047	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H+Na"	23.996494
"1062747"	148.102456666667	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2H+Na"	25.00377
"1269901"	452.337086	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+CH3OH+H"	33.033486
"387382"	877.570358	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+K"	38.963158
"748378"	1296.873958	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+K"	38.963158
"1549336"	458.266758	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+K"	38.963158
"304323"	439.288817	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+H+K"	39.970434
"695652"	648.940617	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+H+K"	39.970434
"1446435"	229.637017	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H+K"	39.970434
"239169"	880.641026	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+ACN+H"	42.033826
"1212119"	461.337426	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+ACN+H"	42.033826
"1195882"	231.172351	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+ACN+2H"	43.041102
"190209"	883.57836	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+2Na-H"	44.97116
"631105"	1302.88196	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+2Na-H"	44.97116
"1133883"	464.27476	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2Na-H"	44.97116
"173650"	442.292818	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+2Na"	45.978436
"613249"	651.944618	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+2Na"	45.978436
"1116590"	232.641018	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2Na"	45.978436
"1398778"	155.429770666667	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H+2Na"	46.985712
"1431510"	466.316346	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H+HCOOH"	47.012746
"228868"	447.32584	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+3H2O+2H"	56.04448
"1518023"	480.36839	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+IsoProp+H"	61.06479
"413334"	450.279788	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+Na+K"	61.952376
"777611"	659.931588	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+Na+K"	61.952376
"1670661"	240.627988	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Na+K"	61.952376
"261557"	902.622968	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+ACN+Na"	64.015768
"1237546"	483.319368	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+ACN+Na"	64.015768
"1725340"	483.342893	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+NH4+HCOOH"	64.039293
"1189600"	162.757084666667	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+3Na"	68.967654
"1656213"	488.298288	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Na+HCOOH"	68.994688
"167448"	915.52624	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+2K-H"	76.91904
"611871"	1334.82984	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+2K-H"	76.91904
"1095895"	496.22264	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2K-H"	76.91904
"153806"	458.266758	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"2M+2K"	77.926316
"594463"	667.918558	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"3M+2K"	77.926316
"1078973"	248.614958	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2K"	77.926316
"1112180"	498.237192	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2K+H"	78.933592
"1344193"	498.324807	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+DMSO+H"	79.021207
"1013818"	502.363976	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2ACN+H"	83.060376
"1527569"	503.357608	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+IsoProp+Na+H"	84.054008
"991465"	251.685626	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+2ACN+2H"	84.067652
"1590709"	504.272228	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+K+HCOOH"	84.968628
"1418555"	534.303738	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+H+CF3COOH"	115.000138
"1151030"	272.198901	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+3ACN+2H"	125.094202
"1699854"	551.330285	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+NH4+CF3COOH"	132.026685
"1635261"	556.28568	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+Na+CF3COOH"	136.98208
"1576262"	572.25962	"C12157"	"Myxalamid S"	"C25H41NO4"	"419.3036"	"M+K+CF3COOH"	152.95602
"813193"	415.3086	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M"	0
"982351"	396.29021	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-H2O-H"	-19.01839
"69500"	275.865124	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M-3H"	-3.021828
"512341"	414.301324	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M-3H"	-3.021828
"894517"	137.428924	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-3H"	-3.021828
"11634"	414.301324	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M-2H"	-2.014552
"452288"	621.955624	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M-2H"	-2.014552
"828269"	206.647024	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-2H"	-2.014552
"84980"	829.609924	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M-H"	-1.007276
"525635"	1244.918524	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M-H"	-1.007276
"907448"	414.301324	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-H"	-1.007276
"57816"	846.636471	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M-2H+NH4"	16.019271
"497375"	1261.945071	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M-2H+NH4"	16.019271
"871897"	431.327871	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-2H+NH4"	16.019271
"40892"	851.591866	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M-2H+Na"	20.974666
"476078"	1266.900466	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M-2H+Na"	20.974666
"857159"	436.283266	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-2H+Na"	20.974666
"1620375"	436.283266	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Na-2H"	20.974666
"96663"	432.289663	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M-H+Cl"	33.962126
"538410"	639.943963	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M-H+Cl"	33.962126
"933024"	224.635363	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-H+Cl"	33.962126
"277051"	865.586602	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+Cl"	34.969402
"667288"	1280.895202	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+Cl"	34.969402
"1284068"	450.278002	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Cl"	34.969402
"27717"	867.565806	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M-2H+K"	36.948606
"458163"	1282.874406	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M-2H+K"	36.948606
"840705"	452.257206	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-2H+K"	36.948606
"1565289"	452.257206	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+K-2H"	36.948606
"947704"	460.306794	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-H+HCOOH"	44.998194
"367010"	875.615401	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+HCOOH-H"	44.998201
"351986"	889.631051	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+Hac-H"	59.013851
"1499726"	474.322451	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Hac-H"	59.013851
"963258"	482.288751	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-H+NaCOOH"	66.980151
"113260"	450.278002	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+2Cl"	69.938804
"553548"	657.932302	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+2Cl"	69.938804
"1024534"	242.623702	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2Cl"	69.938804
"1249581"	494.227485	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Br"	78.918885
"1313123"	496.283472	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Cl+HCOOH"	80.974872
"1325153"	518.265429	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Cl+NaCOOH"	102.956829
"914758"	528.294186	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M-H+CF3COOH"	112.985586
"1290740"	564.270864	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Cl+CF3COOH"	148.962264
"1370355"	380.295924	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H-2H2O"	-35.012676
"1385303"	398.3059	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H-H2O"	-17.0027
"290459"	831.624476	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+H"	1.007276
"683974"	1246.933076	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+H"	1.007276
"1362509"	416.315876	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H"	1.007276
"138681"	416.315876	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+2H"	2.014552
"580794"	623.970176	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+2H"	2.014552
"1051415"	208.661576	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2H"	2.014552
"217859"	277.879676	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+3H"	3.021828
"655598"	416.315876	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+3H"	3.021828
"1177371"	139.443476	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+3H"	3.021828
"433715"	848.651023	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+NH4"	18.033823
"799453"	1263.959623	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+NH4"	18.033823
"1695054"	433.342423	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+NH4"	18.033823
"345038"	424.8291495	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+H+NH4"	19.041099
"738270"	632.4834495	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+H+NH4"	19.041099
"1492249"	217.1748495	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H+NH4"	19.041099
"406066"	853.606418	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+Na"	22.989218
"764143"	1268.915018	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+Na"	22.989218
"1611147"	438.297818	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Na"	22.989218
"320092"	427.306847	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+H+Na"	23.996494
"713606"	634.961147	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+H+Na"	23.996494
"1466697"	219.652547	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H+Na"	23.996494
"1061764"	146.77079	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2H+Na"	25.00377
"1270740"	448.342086	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+CH3OH+H"	33.033486
"387492"	869.580358	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+K"	38.963158
"747395"	1284.888958	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+K"	38.963158
"1548354"	454.271758	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+K"	38.963158
"306620"	435.293817	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+H+K"	39.970434
"696855"	642.948117	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+H+K"	39.970434
"1445977"	227.639517	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H+K"	39.970434
"236605"	872.651026	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+ACN+H"	42.033826
"1210405"	457.342426	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+ACN+H"	42.033826
"1194653"	229.174851	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+ACN+2H"	43.041102
"190075"	875.58836	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+2Na-H"	44.97116
"630484"	1290.89696	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+2Na-H"	44.97116
"1136179"	460.27976	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2Na-H"	44.97116
"176190"	438.297818	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+2Na"	45.978436
"613196"	645.952118	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+2Na"	45.978436
"1115863"	230.643518	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2Na"	45.978436
"1398547"	154.098104	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H+2Na"	46.985712
"1430197"	462.321346	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H+HCOOH"	47.012746
"223875"	443.33084	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+3H2O+2H"	56.04448
"1514853"	476.37339	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+IsoProp+H"	61.06479
"411619"	446.284788	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+Na+K"	61.952376
"774441"	653.939088	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+Na+K"	61.952376
"1669678"	238.630488	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Na+K"	61.952376
"259480"	894.632968	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+ACN+Na"	64.015768
"1237656"	479.324368	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+ACN+Na"	64.015768
"1725450"	479.347893	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+NH4+HCOOH"	64.039293
"1189710"	161.425418	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+3Na"	68.967654
"1656323"	484.303288	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Na+HCOOH"	68.994688
"164277"	907.53624	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+2K-H"	76.91904
"608212"	1322.84484	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+2K-H"	76.91904
"1096005"	492.22764	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2K-H"	76.91904
"152823"	454.271758	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"2M+2K"	77.926316
"596516"	661.926058	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"3M+2K"	77.926316
"1077990"	246.617458	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2K"	77.926316
"1107916"	494.242192	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2K+H"	78.933592
"1343210"	494.329807	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+DMSO+H"	79.021207
"1013928"	498.368976	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2ACN+H"	83.060376
"1527679"	499.362608	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+IsoProp+Na+H"	84.054008
"991575"	249.688126	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+2ACN+2H"	84.067652
"1590819"	500.277228	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+K+HCOOH"	84.968628
"1418665"	530.308738	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+H+CF3COOH"	115.000138
"1151140"	270.201401	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+3ACN+2H"	125.094202
"1699600"	547.335285	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+NH4+CF3COOH"	132.026685
"1636345"	552.29068	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+Na+CF3COOH"	136.98208
"1576372"	568.26462	"C12158"	"Myxalamid A"	"C26H41NO3"	"415.3086"	"M+K+CF3COOH"	152.95602
"813303"	401.293	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M"	0
"984649"	382.27461	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-H2O-H"	-19.01839
"77266"	266.521390666667	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M-3H"	-3.021828
"516828"	400.285724	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M-3H"	-3.021828
"895118"	132.757057333333	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-3H"	-3.021828
"11744"	400.285724	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M-2H"	-2.014552
"452398"	600.932224	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M-2H"	-2.014552
"830567"	199.639224	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-2H"	-2.014552
"89465"	801.578724	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M-H"	-1.007276
"527932"	1202.871724	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M-H"	-1.007276
"905740"	400.285724	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-H"	-1.007276
"54646"	818.605271	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M-2H+NH4"	16.019271
"496393"	1219.898271	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M-2H+NH4"	16.019271
"868728"	417.312271	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-2H+NH4"	16.019271
"39909"	823.560666	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M-2H+Na"	20.974666
"479469"	1224.853666	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M-2H+Na"	20.974666
"858364"	422.267666	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-2H+Na"	20.974666
"1619515"	422.267666	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Na-2H"	20.974666
"96044"	418.274063	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M-H+Cl"	33.962126
"535604"	618.920563	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M-H+Cl"	33.962126
"932403"	217.627563	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-H+Cl"	33.962126
"277161"	837.555402	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+Cl"	34.969402
"671774"	1238.848402	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+Cl"	34.969402
"1283084"	436.262402	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Cl"	34.969402
"25641"	839.534606	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M-2H+K"	36.948606
"461919"	1240.827606	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M-2H+K"	36.948606
"838629"	438.241606	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-2H+K"	36.948606
"1564304"	438.241606	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+K-2H"	36.948606
"950000"	446.291194	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-H+HCOOH"	44.998194
"370400"	847.584201	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+HCOOH-H"	44.998201
"355376"	861.599851	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+Hac-H"	59.013851
"1498742"	460.306851	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Hac-H"	59.013851
"961910"	468.273151	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-H+NaCOOH"	66.980151
"111542"	436.262402	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+2Cl"	69.938804
"551101"	636.908902	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+2Cl"	69.938804
"1023546"	235.615902	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2Cl"	69.938804
"1248598"	480.211885	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Br"	78.918885
"1312140"	482.267872	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Cl+HCOOH"	80.974872
"1325263"	504.249829	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Cl+NaCOOH"	102.956829
"918515"	514.278586	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M-H+CF3COOH"	112.985586
"1293037"	550.255264	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Cl+CF3COOH"	148.962264
"1371195"	366.280324	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H-2H2O"	-35.012676
"1386506"	384.2903	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H-H2O"	-17.0027
"292756"	803.593276	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+H"	1.007276
"687364"	1204.886276	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+H"	1.007276
"1363714"	402.300276	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H"	1.007276
"137698"	402.300276	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+2H"	2.014552
"576167"	602.946776	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+2H"	2.014552
"1051530"	201.653776	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2H"	2.014552
"217240"	268.535942666667	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+3H"	3.021828
"655708"	402.300276	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+3H"	3.021828
"1177365"	134.771609333333	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+3H"	3.021828
"433825"	820.619823	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+NH4"	18.033823
"799803"	1221.912823	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+NH4"	18.033823
"1696138"	419.326823	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+NH4"	18.033823
"344662"	410.8135495	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+H+NH4"	19.041099
"736472"	611.4600495	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+H+NH4"	19.041099
"1491142"	210.1670495	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H+NH4"	19.041099
"406541"	825.575218	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+Na"	22.989218
"764253"	1226.868218	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+Na"	22.989218
"1612351"	424.282218	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Na"	22.989218
"322388"	413.291247	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+H+Na"	23.996494
"713716"	613.937747	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+H+Na"	23.996494
"1468630"	212.644747	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H+Na"	23.996494
"1060781"	142.098923333333	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2H+Na"	25.00377
"1271214"	434.326486	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+CH3OH+H"	33.033486
"385416"	841.549158	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+K"	38.963158
"744224"	1242.842158	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+K"	38.963158
"1542995"	440.256158	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+K"	38.963158
"307824"	421.278217	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+H+K"	39.970434
"696965"	621.924717	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+H+K"	39.970434
"1451880"	220.631717	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H+K"	39.970434
"236592"	844.619826	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+ACN+H"	42.033826
"1211123"	443.326826	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+ACN+H"	42.033826
"1194519"	222.167051	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+ACN+2H"	43.041102
"188575"	847.55716	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+2Na-H"	44.97116
"628934"	1248.85016	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+2Na-H"	44.97116
"1132036"	446.26416	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2Na-H"	44.97116
"175326"	424.282218	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+2Na"	45.978436
"612858"	624.928718	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+2Na"	45.978436
"1115705"	223.635718	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2Na"	45.978436
"1398667"	149.426237333333	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H+2Na"	46.985712
"1430184"	448.305746	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H+HCOOH"	47.012746
"229087"	429.31524	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+3H2O+2H"	56.04448
"1518243"	462.35779	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+IsoProp+H"	61.06479
"410274"	432.269188	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+Na+K"	61.952376
"777830"	632.915688	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+Na+K"	61.952376
"1673070"	231.622688	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Na+K"	61.952376
"258497"	866.601768	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+ACN+Na"	64.015768
"1234486"	465.308768	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+ACN+Na"	64.015768
"1726653"	465.332293	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+NH4+HCOOH"	64.039293
"1189820"	156.753551333333	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+3Na"	68.967654
"1662992"	470.287688	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Na+HCOOH"	68.994688
"164388"	879.50504	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+2K-H"	76.91904
"601761"	1280.79804	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+2K-H"	76.91904
"1096117"	478.21204	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2K-H"	76.91904
"150744"	440.256158	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"2M+2K"	77.926316
"595411"	640.902658	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"3M+2K"	77.926316
"1082112"	239.609658	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2K"	77.926316
"1108029"	480.226592	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2K+H"	78.933592
"1343323"	480.314207	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+DMSO+H"	79.021207
"1009664"	484.353376	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2ACN+H"	83.060376
"1526697"	485.347008	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+IsoProp+Na+H"	84.054008
"992054"	242.680326	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+2ACN+2H"	84.067652
"1588743"	486.261628	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+K+HCOOH"	84.968628
"1417684"	516.293138	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+H+CF3COOH"	115.000138
"1150157"	263.193601	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+3ACN+2H"	125.094202
"1699710"	533.319685	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+NH4+CF3COOH"	132.026685
"1636456"	538.27508	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+Na+CF3COOH"	136.98208
"1576482"	554.24902	"C12159"	"Myxalamid B"	"C25H39NO3"	"401.293"	"M+K+CF3COOH"	152.95602
"812321"	387.2773	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M"	0
"986946"	368.25891	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-H2O-H"	-19.01839
"77864"	257.177590666667	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M-3H"	-3.021828
"517302"	386.270024	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M-3H"	-3.021828
"894013"	128.085157333333	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-3H"	-3.021828
"12947"	386.270024	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M-2H"	-2.014552
"452508"	579.908674	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M-2H"	-2.014552
"826299"	192.631374	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-2H"	-2.014552
"88482"	773.547324	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M-H"	-1.007276
"528042"	1160.824624	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M-H"	-1.007276
"907672"	386.270024	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-H"	-1.007276
"54756"	790.573871	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M-2H+NH4"	16.019271
"494317"	1177.851171	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M-2H+NH4"	16.019271
"864620"	403.296571	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-2H+NH4"	16.019271
"40020"	795.529266	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M-2H+Na"	20.974666
"477393"	1182.806566	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M-2H+Na"	20.974666
"855193"	408.251966	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-2H+Na"	20.974666
"1618495"	408.251966	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Na-2H"	20.974666
"95061"	404.258363	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M-H+Cl"	33.962126
"534655"	597.897013	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M-H+Cl"	33.962126
"934336"	210.619713	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-H+Cl"	33.962126
"273991"	809.524002	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+Cl"	34.969402
"667507"	1196.801302	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+Cl"	34.969402
"1279913"	422.246702	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Cl"	34.969402
"24658"	811.503206	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M-2H+K"	36.948606
"464218"	1198.780506	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M-2H+K"	36.948606
"839829"	424.225906	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-2H+K"	36.948606
"1566600"	424.225906	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+K-2H"	36.948606
"951202"	432.275494	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-H+HCOOH"	44.998194
"367230"	819.552801	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+HCOOH-H"	44.998201
"351113"	833.568451	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+Hac-H"	59.013851
"1496666"	446.291151	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Hac-H"	59.013851
"959827"	454.257451	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-H+NaCOOH"	66.980151
"112748"	422.246702	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+2Cl"	69.938804
"551576"	615.885352	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+2Cl"	69.938804
"1026206"	228.608052	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2Cl"	69.938804
"1245426"	466.196185	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Br"	78.918885
"1311155"	468.252172	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Cl+HCOOH"	80.974872
"1321361"	490.234129	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Cl+NaCOOH"	102.956829
"919717"	500.262886	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M-H+CF3COOH"	112.985586
"1298611"	536.239564	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Cl+CF3COOH"	148.962264
"1372399"	352.264624	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H-2H2O"	-35.012676
"1383699"	370.2746	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H-H2O"	-17.0027
"295054"	775.561876	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+H"	1.007276
"684194"	1162.839176	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+H"	1.007276
"1360542"	388.284576	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H"	1.007276
"138900"	388.284576	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+2H"	2.014552
"580409"	581.923226	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+2H"	2.014552
"1050542"	194.645926	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2H"	2.014552
"216257"	259.192142666667	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+3H"	3.021828
"655818"	388.284576	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+3H"	3.021828
"1178328"	130.099709333333	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+3H"	3.021828
"439042"	792.588423	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+NH4"	18.033823
"800160"	1179.865723	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+NH4"	18.033823
"1695519"	405.311123	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+NH4"	18.033823
"345139"	396.7978495	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+H+NH4"	19.041099
"736825"	590.4364995	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+H+NH4"	19.041099
"1491862"	203.1591995	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H+NH4"	19.041099
"406530"	797.543818	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+Na"	22.989218
"764363"	1184.821118	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+Na"	22.989218
"1617204"	410.266518	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Na"	22.989218
"320312"	399.275547	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+H+Na"	23.996494
"714919"	592.914197	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+H+Na"	23.996494
"1469835"	205.636897	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H+Na"	23.996494
"1061987"	137.427023333333	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2H+Na"	25.00377
"1271203"	420.310786	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+CH3OH+H"	33.033486
"384434"	813.517758	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+K"	38.963158
"743239"	1200.795058	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+K"	38.963158
"1543106"	426.240458	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+K"	38.963158
"305747"	407.262517	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+H+K"	39.970434
"699263"	600.901167	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+H+K"	39.970434
"1451989"	213.623867	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H+K"	39.970434
"241684"	816.588426	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+ACN+H"	42.033826
"1213298"	429.311126	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+ACN+H"	42.033826
"1195361"	215.159201	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+ACN+2H"	43.041102
"188753"	819.52576	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+2Na-H"	44.97116
"629120"	1206.80306	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+2Na-H"	44.97116
"1134211"	432.24846	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2Na-H"	44.97116
"175314"	410.266518	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+2Na"	45.978436
"613903"	603.905168	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+2Na"	45.978436
"1115948"	216.627868	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2Na"	45.978436
"1399352"	144.754337333333	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H+2Na"	46.985712
"1430176"	434.290046	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H+HCOOH"	47.012746
"227010"	415.29954	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+3H2O+2H"	56.04448
"1516166"	448.34209	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+IsoProp+H"	61.06479
"412571"	418.253488	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+Na+K"	61.952376
"777940"	611.892138	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+Na+K"	61.952376
"1673178"	224.614838	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Na+K"	61.952376
"260793"	838.570368	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+ACN+Na"	64.015768
"1234596"	451.293068	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+ACN+Na"	64.015768
"1725669"	451.316593	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+NH4+HCOOH"	64.039293
"1189930"	152.081651333333	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+3Na"	68.967654
"1656541"	456.271988	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Na+HCOOH"	68.994688
"161218"	851.47364	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+2K-H"	76.91904
"601871"	1238.75094	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+2K-H"	76.91904
"1092946"	464.19634	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2K-H"	76.91904
"150854"	426.240458	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"2M+2K"	77.926316
"589322"	619.879108	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"3M+2K"	77.926316
"1079302"	232.601808	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2K"	77.926316
"1104858"	466.210892	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2K+H"	78.933592
"1347805"	466.298507	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+DMSO+H"	79.021207
"1016335"	470.337676	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2ACN+H"	83.060376
"1532272"	471.331308	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+IsoProp+Na+H"	84.054008
"996534"	235.672476	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+2ACN+2H"	84.067652
"1591038"	472.245928	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+K+HCOOH"	84.968628
"1416699"	502.277438	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+H+CF3COOH"	115.000138
"1151359"	256.185751	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+3ACN+2H"	125.094202
"1698361"	519.303985	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+NH4+CF3COOH"	132.026685
"1638753"	524.25938	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+Na+CF3COOH"	136.98208
"1576592"	540.23332	"C12160"	"Myxalamid C"	"C24H37NO3"	"387.2773"	"M+K+CF3COOH"	152.95602
"816076"	373.2617	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M"	0
"982681"	354.24331	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-H2O-H"	-19.01839
"78096"	247.833857333333	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M-3H"	-3.021828
"517778"	372.254424	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M-3H"	-3.021828
"894852"	123.413290666667	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-3H"	-3.021828
"15610"	372.254424	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M-2H"	-2.014552
"452986"	558.885274	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M-2H"	-2.014552
"829694"	185.623574	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-2H"	-2.014552
"92972"	745.516124	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M-H"	-1.007276
"525966"	1118.777824	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M-H"	-1.007276
"907055"	372.254424	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-H"	-1.007276
"57054"	762.542671	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M-2H+NH4"	16.019271
"492241"	1135.804371	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M-2H+NH4"	16.019271
"873322"	389.280971	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-2H+NH4"	16.019271
"37942"	767.498066	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M-2H+Na"	20.974666
"476409"	1140.759766	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M-2H+Na"	20.974666
"856397"	394.236366	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-2H+Na"	20.974666
"1618916"	394.236366	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Na-2H"	20.974666
"94551"	390.242763	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M-H+Cl"	33.962126
"534760"	576.873613	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M-H+Cl"	33.962126
"936633"	203.611913	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-H+Cl"	33.962126
"276288"	781.492802	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+Cl"	34.969402
"673936"	1154.754502	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+Cl"	34.969402
"1284394"	408.231102	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Cl"	34.969402
"29141"	783.472006	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M-2H+K"	36.948606
"466514"	1156.733706	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M-2H+K"	36.948606
"839939"	410.210306	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-2H+K"	36.948606
"1567803"	410.210306	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+K-2H"	36.948606
"952408"	418.259894	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-H+HCOOH"	44.998194
"371716"	791.521601	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+HCOOH-H"	44.998201
"354505"	805.537251	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+Hac-H"	59.013851
"1498964"	432.275551	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Hac-H"	59.013851
"959941"	440.241851	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-H+NaCOOH"	66.980151
"116504"	408.231102	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+2Cl"	69.938804
"550591"	594.861952	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+2Cl"	69.938804
"1030334"	221.600252	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2Cl"	69.938804
"1245538"	452.180585	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Br"	78.918885
"1310172"	454.236572	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Cl+HCOOH"	80.974872
"1326577"	476.218529	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Cl+NaCOOH"	102.956829
"925295"	486.247286	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M-H+CF3COOH"	112.985586
"1300908"	522.223964	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Cl+CF3COOH"	148.962264
"1377976"	338.249024	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H-2H2O"	-35.012676
"1387821"	356.259	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H-H2O"	-17.0027
"297349"	747.530676	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+H"	1.007276
"688679"	1120.792376	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+H"	1.007276
"1361747"	374.268976	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H"	1.007276
"140713"	374.268976	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+2H"	2.014552
"580763"	560.899826	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+2H"	2.014552
"1051393"	187.638126	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2H"	2.014552
"218798"	249.848409333333	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+3H"	3.021828
"658489"	374.268976	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+3H"	3.021828
"1177826"	125.427842666667	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+3H"	3.021828
"439147"	764.557223	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+NH4"	18.033823
"800145"	1137.818923	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+NH4"	18.033823
"1696486"	391.295523	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+NH4"	18.033823
"345370"	382.7822495	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+H+NH4"	19.041099
"737788"	569.4130995	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+H+NH4"	19.041099
"1489174"	196.1513995	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H+NH4"	19.041099
"408100"	769.512618	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+Na"	22.989218
"764476"	1142.774318	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+Na"	22.989218
"1612575"	396.250918	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Na"	22.989218
"322608"	385.259947	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+H+Na"	23.996494
"712845"	571.890797	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+H+Na"	23.996494
"1466667"	198.629097	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H+Na"	23.996494
"1059912"	132.755156666667	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2H+Na"	25.00377
"1272043"	406.295186	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+CH3OH+H"	33.033486
"390741"	785.486558	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+K"	38.963158
"747724"	1158.748258	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+K"	38.963158
"1548684"	412.224858	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+K"	38.963158
"306950"	393.246917	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+H+K"	39.970434
"701561"	579.877767	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+H+K"	39.970434
"1455380"	206.616067	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H+K"	39.970434
"245075"	788.557226	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+ACN+H"	42.033826
"1212316"	415.295526	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+ACN+H"	42.033826
"1196928"	208.151401	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+ACN+2H"	43.041102
"190528"	791.49456	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+2Na-H"	44.97116
"629156"	1164.75626	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+2Na-H"	44.97116
"1134322"	418.23286	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2Na-H"	44.97116
"175424"	396.250918	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+2Na"	45.978436
"614985"	582.881768	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+2Na"	45.978436
"1116053"	209.620068	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2Na"	45.978436
"1398978"	140.082470666667	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H+2Na"	46.985712
"1431094"	420.274446	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H+HCOOH"	47.012746
"224933"	401.28394	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+3H2O+2H"	56.04448
"1516277"	434.32649	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+IsoProp+H"	61.06479
"410861"	404.237888	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+Na+K"	61.952376
"775864"	590.868738	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+Na+K"	61.952376
"1670010"	217.607038	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Na+K"	61.952376
"261998"	810.539168	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+ACN+Na"	64.015768
"1235801"	437.277468	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+ACN+Na"	64.015768
"1724687"	437.300993	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+NH4+HCOOH"	64.039293
"1192228"	147.409784666667	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+3Na"	68.967654
"1656652"	442.256388	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Na+HCOOH"	68.994688
"167889"	823.44244	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+2K-H"	76.91904
"601981"	1196.70414	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+2K-H"	76.91904
"1095244"	450.18074	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2K-H"	76.91904
"152059"	412.224858	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"2M+2K"	77.926316
"590526"	598.855708	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"3M+2K"	77.926316
"1078319"	225.594008	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2K"	77.926316
"1108249"	452.195292	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2K+H"	78.933592
"1343541"	452.282907	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+DMSO+H"	79.021207
"1018999"	456.322076	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2ACN+H"	83.060376
"1534568"	457.315708	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+IsoProp+Na+H"	84.054008
"996643"	228.664676	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+2ACN+2H"	84.067652
"1590053"	458.230328	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+K+HCOOH"	84.968628
"1418993"	488.261838	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+H+CF3COOH"	115.000138
"1148191"	249.177951	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+3ACN+2H"	125.094202
"1700294"	505.288385	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+NH4+CF3COOH"	132.026685
"1638863"	510.24378	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+Na+CF3COOH"	136.98208
"1583264"	526.21772	"C12161"	"Myxalamid D"	"C23H35NO3"	"373.2617"	"M+K+CF3COOH"	152.95602
"810353"	271.1208	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M"	0
"979511"	252.10241	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"77961"	179.739924	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"515701"	270.113524	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"891680"	89.366324	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"9163"	270.113524	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"450545"	405.673924	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"825429"	134.553124	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"84330"	541.234324	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"520608"	812.355124	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"906069"	270.113524	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"57892"	558.260871	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"490164"	829.381671	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"869058"	287.140071	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"38053"	563.216266	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"473239"	834.337066	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"854320"	292.095466	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1618785"	292.095466	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"99292"	288.101863	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"536665"	423.662263	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"936745"	152.541463	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"277492"	577.211002	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"671008"	848.331802	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1284504"	306.090202	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"29252"	579.190206	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"464437"	850.311006	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"843330"	308.069406	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1567913"	308.069406	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"952517"	316.118994	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"366357"	587.239801	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"351335"	601.255451	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1493238"	330.134651	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"961142"	338.100951	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"112599"	306.090202	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"551308"	441.650602	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1023883"	170.529802	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1243459"	350.039685	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1305296"	352.095672	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1327780"	374.077629	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"922125"	384.106386	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1298831"	420.083064	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1374807"	236.108124	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1387931"	254.1181	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"297096"	543.248876	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"688788"	814.369676	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1365137"	272.128076	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"139487"	272.128076	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"578682"	407.688476	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1052226"	136.567676	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"216478"	181.754476	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"657132"	272.128076	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1177202"	91.380876	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"439667"	560.275423	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"798432"	831.396223	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1696961"	289.154623	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"344746"	280.6413495	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"737289"	416.2017495	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1490014"	145.0809495	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"408130"	565.230818	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"763495"	836.351618	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1611592"	294.110018	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"321628"	283.119047	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"714049"	418.679447	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1465684"	147.558647	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1062210"	98.70819	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1272112"	304.154286	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"390121"	581.204758	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"747835"	852.325558	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1546608"	310.083958	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"307061"	291.106017	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"699484"	426.666417	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1455490"	155.545617	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"246278"	584.275426	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1210850"	313.154626	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1198496"	157.080951	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"192460"	587.21276	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"629836"	858.33356	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1134432"	316.09196	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"175535"	294.110018	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"613635"	429.670418	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1116654"	158.549618	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1398964"	106.035504	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1431691"	318.133546	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"227229"	299.14304	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1517480"	332.18559	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"416074"	302.096988	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"773786"	437.657388	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1667932"	166.536588	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"259920"	606.257368	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1234816"	335.136568	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1722609"	335.160093	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1187962"	113.362818	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1656761"	340.115488	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"167998"	619.16064	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"598811"	890.28144	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1096445"	348.03984	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"153262"	310.083958	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"587355"	445.644358	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1080615"	174.523558	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1107265"	350.054392	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1343651"	350.142007	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1017648"	354.181176	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1532492"	355.174808	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"998941"	177.594226	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1591256"	356.089428	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1422383"	386.120938	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1152676"	198.107501	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1700040"	403.147485	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1642253"	408.10288	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1583374"	424.07682	"C12162"	"Crinine"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"812650"	301.1314	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M"	0
"980714"	282.11301	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"73330"	199.746990666667	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"516539"	300.124124	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"891789"	99.3698573333333	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"11455"	300.124124	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"451017"	450.689824	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"828818"	149.558424	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"85534"	601.255524	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"523999"	902.386924	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"907273"	300.124124	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"56182"	618.282071	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"489300"	919.413471	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"869167"	317.150671	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"37068"	623.237466	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"474442"	924.368866	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"854430"	322.106066	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1619099"	322.106066	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"99402"	318.112463	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"536775"	468.678163	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"936855"	167.546763	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"278695"	637.232202	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"667837"	938.363602	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1283521"	336.100802	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"31228"	639.211406	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"467828"	940.342806	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"843440"	338.080006	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1568023"	338.080006	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"951531"	346.129594	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"367560"	647.261001	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"353631"	661.276651	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1494808"	360.145251	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"960521"	368.111551	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"114166"	336.100802	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"552026"	486.666502	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1026179"	185.535102	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1243689"	380.050285	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1306377"	382.106272	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1325703"	404.088229	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"924421"	414.116986	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1298941"	450.093664	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1374917"	266.118724	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1388041"	284.1287	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"296842"	603.270076	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"688898"	904.401476	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1365247"	302.138676	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"140935"	302.138676	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"579885"	452.704376	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1051247"	151.572976	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"216588"	201.761542666667	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"657609"	302.138676	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1176826"	101.384409333333	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"439127"	620.296623	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"798178"	921.428023	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1696704"	319.165223	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"344495"	310.6519495	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"736307"	461.2176495	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1491579"	160.0862495	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"406619"	625.252018	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"761418"	926.383418	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1611702"	324.120618	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"322832"	313.129647	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"716347"	463.695347	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1465794"	162.563947	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1060133"	108.711723333333	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1270562"	334.164886	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"390231"	641.225958	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"749040"	942.357358	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1547811"	340.094558	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"310452"	321.116617	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"699594"	471.682317	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1455599"	170.550917	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"246388"	644.296626	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1212538"	343.165226	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1197514"	172.086251	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"189411"	647.23396	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"629945"	948.36536	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1133570"	346.10256	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"175645"	324.120618	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"614841"	474.686318	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1117131"	173.554918	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1399319"	116.039037333333	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1432165"	348.144146	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"227339"	329.15364	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1513215"	362.19619	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"411810"	332.107588	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"771343"	482.673288	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1669136"	181.541888	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"254562"	666.278568	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1234926"	365.147168	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1722718"	365.170693	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1184792"	123.366351333333	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1653591"	370.126088	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"168108"	679.18184	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"600014"	980.31324	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1096555"	378.05044	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"151185"	340.094558	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"585278"	490.660258	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1080725"	189.528858	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1107375"	380.064992	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1344854"	380.152607	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1016664"	384.191776	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1531509"	385.185408	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"993583"	192.599526	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1597927"	386.100028	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1420307"	416.131538	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1151692"	213.112801	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1700150"	433.158085	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1639084"	438.11348	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1583484"	454.08742	"C12163"	"Powelline;12-Didehydro-7-methoxycrinan-3arpha-ol"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"813854"	287.1158	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M"	0
"980824"	268.09741	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"73440"	190.403257333333	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"515919"	286.108524	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"890806"	94.6979906666667	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"12658"	286.108524	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"450033"	429.666424	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"824556"	142.550624	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"85644"	573.224324	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"523380"	860.340124	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"904103"	286.108524	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"54105"	590.250871	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"489653"	877.366671	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"864232"	303.135071	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"36085"	595.206266	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"473822"	882.322066	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"852352"	308.090466	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1618636"	308.090466	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"96232"	304.096863	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"536885"	447.654763	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"936965"	160.538963	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"280992"	609.201002	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"671227"	896.316802	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1284724"	322.085202	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"31424"	611.180206	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"467938"	898.296006	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"843550"	324.064406	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1568133"	324.064406	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"951641"	332.113994	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"367670"	619.229801	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"355927"	633.245451	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1494918"	346.129651	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"960264"	354.095951	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"111724"	322.085202	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"551042"	465.643102	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1028475"	178.527302	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1243679"	366.034685	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1306488"	368.090672	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1325813"	390.072629	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"924532"	400.101386	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1301238"	436.078064	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1378307"	252.103124	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1388151"	270.1131	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"297316"	575.238876	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"689008"	862.354676	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1358796"	288.123076	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"140800"	288.123076	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"579995"	431.680976	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1052446"	144.565176	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"217789"	192.417809333333	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"657352"	288.123076	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1176571"	96.7125426666667	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"439902"	592.265423	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"798652"	879.381223	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1695961"	305.149623	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"345092"	296.6363495	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"736416"	440.1942495	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1491689"	153.0784495	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"404903"	597.220818	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"760433"	884.336618	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1609624"	310.105018	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"322939"	299.114047	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"716457"	442.671947	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1465904"	155.556147	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1061336"	104.039856666667	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1271036"	320.149286	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"391069"	613.194758	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"749150"	900.310558	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1547921"	326.078958	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"310927"	307.101017	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"700797"	450.658917	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1453523"	163.543117	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"245405"	616.265426	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1212647"	329.149626	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1196894"	165.078451	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"191221"	619.20276	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"631512"	906.31856	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1133194"	332.08696	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"172849"	310.105018	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"614951"	453.662918	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1118456"	166.547118	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1400159"	111.367170666667	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1432639"	334.128546	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"226355"	315.13804	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1513325"	348.18059	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"411920"	318.091988	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"771817"	461.649888	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1671432"	174.534088	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"255765"	638.247368	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1235036"	351.131568	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1723921"	351.155093	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1183808"	118.694484666667	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1651878"	356.110488	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"164938"	651.15064	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"600124"	938.26644	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1093385"	364.03484	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"145827"	326.078958	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"585388"	469.636858	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1076461"	182.521058	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1103110"	366.049392	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1343870"	366.137007	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1018960"	370.176176	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1529432"	371.169808	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"990775"	185.591726	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1595850"	372.084428	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1420417"	402.115938	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1152895"	206.105001	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1700260"	419.142485	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1639194"	424.09788	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1583594"	440.07182	"C12164"	"Hamayne;Bulbispermine"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"809590"	329.1263	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M"	0
"980934"	310.10791	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-H2O-H"	-19.01839
"70270"	218.410257333333	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M-3H"	-3.021828
"515299"	328.119024	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M-3H"	-3.021828
"888729"	108.701490666667	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-3H"	-3.021828
"10582"	328.119024	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M-2H"	-2.014552
"447957"	492.682174	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M-2H"	-2.014552
"823573"	163.555874	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-2H"	-2.014552
"82474"	657.245324	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M-H"	-1.007276
"523126"	986.371624	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M-H"	-1.007276
"904213"	328.119024	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-H"	-1.007276
"56765"	674.271871	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M-2H+NH4"	16.019271
"487818"	1003.398171	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M-2H+NH4"	16.019271
"864769"	345.145571	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-2H+NH4"	16.019271
"37288"	679.227266	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M-2H+Na"	20.974666
"473567"	1008.353566	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M-2H+Na"	20.974666
"852462"	350.100966	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-2H+Na"	20.974666
"1618584"	350.100966	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Na-2H"	20.974666
"96340"	346.107363	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M-H+Cl"	33.962126
"535900"	510.670513	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M-H+Cl"	33.962126
"929051"	181.544213	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-H+Cl"	33.962126
"271260"	693.222002	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+Cl"	34.969402
"668057"	1022.348302	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+Cl"	34.969402
"1281554"	364.095702	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Cl"	34.969402
"30674"	695.201206	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M-2H+K"	36.948606
"464768"	1024.327506	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M-2H+K"	36.948606
"842567"	366.074906	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-2H+K"	36.948606
"1563869"	366.074906	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+K-2H"	36.948606
"945191"	374.124494	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-H+HCOOH"	44.998194
"365593"	703.250801	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+HCOOH-H"	44.998201
"352757"	717.266451	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+Hac-H"	59.013851
"1493934"	388.140151	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Hac-H"	59.013851
"959646"	396.106451	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-H+NaCOOH"	66.980151
"111834"	364.095702	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+2Cl"	69.938804
"550300"	528.658852	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+2Cl"	69.938804
"1025305"	199.532552	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2Cl"	69.938804
"1241964"	408.045185	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Br"	78.918885
"1304773"	410.101172	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Cl+HCOOH"	80.974872
"1325923"	432.083129	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Cl+NaCOOH"	102.956829
"923549"	442.111886	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M-H+CF3COOH"	112.985586
"1300255"	478.088564	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Cl+CF3COOH"	148.962264
"1377324"	294.113624	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H-2H2O"	-35.012676
"1388261"	312.1236	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H-H2O"	-17.0027
"292321"	659.259876	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+H"	1.007276
"686931"	988.386176	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+H"	1.007276
"1359998"	330.133576	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H"	1.007276
"140547"	330.133576	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+2H"	2.014552
"577919"	494.696726	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+2H"	2.014552
"1048906"	165.570426	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2H"	2.014552
"215350"	220.424809333333	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+3H"	3.021828
"655272"	330.133576	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+3H"	3.021828
"1175222"	110.716042666667	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+3H"	3.021828
"438983"	676.286423	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+NH4"	18.033823
"800461"	1005.412723	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+NH4"	18.033823
"1691814"	347.160123	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+NH4"	18.033823
"341187"	338.6468495	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+H+NH4"	19.041099
"734702"	503.2099995	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+H+NH4"	19.041099
"1490704"	174.0836995	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H+NH4"	19.041099
"405011"	681.241818	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+Na"	22.989218
"761634"	1010.368118	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+Na"	22.989218
"1608640"	352.115518	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Na"	22.989218
"318676"	341.124547	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+H+Na"	23.996494
"714380"	505.687697	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+H+Na"	23.996494
"1464921"	176.561397	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H+Na"	23.996494
"1060353"	118.043356666667	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2H+Na"	25.00377
"1269323"	362.159786	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+CH3OH+H"	33.033486
"388263"	697.215758	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+K"	38.963158
"743790"	1026.342058	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+K"	38.963158
"1548030"	368.089458	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+K"	38.963158
"311401"	349.111517	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+H+K"	39.970434
"703093"	513.674667	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+H+K"	39.970434
"1449259"	184.548367	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H+K"	39.970434
"238224"	700.286426	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+ACN+H"	42.033826
"1210036"	371.160126	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+ACN+H"	42.033826
"1194400"	186.083701	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+ACN+2H"	43.041102
"189022"	703.22376	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+2Na-H"	44.97116
"629070"	1032.35006	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+2Na-H"	44.97116
"1131678"	374.09746	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2Na-H"	44.97116
"173546"	352.115518	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+2Na"	45.978436
"613472"	516.678668	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+2Na"	45.978436
"1116864"	187.552368	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2Na"	45.978436
"1398718"	125.370670666667	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H+2Na"	46.985712
"1430273"	376.139046	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H+HCOOH"	47.012746
"220994"	357.14854	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+3H2O+2H"	56.04448
"1515621"	390.19109	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+IsoProp+H"	61.06479
"413123"	360.102488	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+Na+K"	61.952376
"770956"	524.665638	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+Na+K"	61.952376
"1668262"	195.539338	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Na+K"	61.952376
"255875"	722.268368	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+ACN+Na"	64.015768
"1236239"	393.142068	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+ACN+Na"	64.015768
"1724031"	393.165593	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+NH4+HCOOH"	64.039293
"1183918"	132.697984666667	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+3Na"	68.967654
"1654904"	398.120988	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Na+HCOOH"	68.994688
"160306"	735.17164	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+2K-H"	76.91904
"607886"	1064.29794	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+2K-H"	76.91904
"1086934"	406.04534	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2K-H"	76.91904
"145207"	368.089458	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"2M+2K"	77.926316
"582701"	532.652608	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"3M+2K"	77.926316
"1070127"	203.526308	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2K"	77.926316
"1100909"	408.059892	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2K+H"	78.933592
"1337419"	408.147507	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+DMSO+H"	79.021207
"1011416"	412.186676	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2ACN+H"	83.060376
"1524559"	413.180308	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+IsoProp+Na+H"	84.054008
"989949"	206.596976	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+2ACN+2H"	84.067652
"1592680"	414.094928	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+K+HCOOH"	84.968628
"1421620"	444.126438	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+H+CF3COOH"	115.000138
"1153005"	227.110251	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+3ACN+2H"	125.094202
"1700370"	461.152985	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+NH4+CF3COOH"	132.026685
"1639304"	466.10838	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+Na+CF3COOH"	136.98208
"1583704"	482.08232	"C12165"	"3-O-Acetylhamayne"	"C18H19NO5"	"329.1263"	"M+K+CF3COOH"	152.95602
"809700"	329.1263	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M"	0
"982137"	310.10791	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-H2O-H"	-19.01839
"71473"	218.410257333333	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M-3H"	-3.021828
"514316"	328.119024	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M-3H"	-3.021828
"891026"	108.701490666667	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-3H"	-3.021828
"11786"	328.119024	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M-2H"	-2.014552
"451349"	492.682174	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M-2H"	-2.014552
"823683"	163.555874	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-2H"	-2.014552
"86957"	657.245324	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M-H"	-1.007276
"523236"	986.371624	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M-H"	-1.007276
"906146"	328.119024	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-H"	-1.007276
"57238"	674.271871	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M-2H+NH4"	16.019271
"487517"	1003.398171	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M-2H+NH4"	16.019271
"866581"	345.145571	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-2H+NH4"	16.019271
"37398"	679.227266	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M-2H+Na"	20.974666
"471715"	1008.353566	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M-2H+Na"	20.974666
"852571"	350.100966	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-2H+Na"	20.974666
"1618898"	350.100966	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Na-2H"	20.974666
"97543"	346.107363	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M-H+Cl"	33.962126
"538925"	510.670513	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M-H+Cl"	33.962126
"929889"	181.544213	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-H+Cl"	33.962126
"268448"	693.222002	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+Cl"	34.969402
"664887"	1022.348302	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+Cl"	34.969402
"1281664"	364.095702	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Cl"	34.969402
"24222"	695.201206	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M-2H+K"	36.948606
"465969"	1024.327506	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M-2H+K"	36.948606
"840490"	366.074906	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-2H+K"	36.948606
"1557418"	366.074906	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+K-2H"	36.948606
"943596"	374.124494	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-H+HCOOH"	44.998194
"364610"	703.250801	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+HCOOH-H"	44.998201
"351773"	717.266451	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+Hac-H"	59.013851
"1496230"	388.140151	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Hac-H"	59.013851
"958978"	396.106451	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-H+NaCOOH"	66.980151
"110484"	364.095702	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+2Cl"	69.938804
"550326"	528.658852	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+2Cl"	69.938804
"1025415"	199.532552	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2Cl"	69.938804
"1244260"	408.045185	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Br"	78.918885
"1305248"	410.101172	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Cl+HCOOH"	80.974872
"1326033"	432.083129	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Cl+NaCOOH"	102.956829
"923655"	442.111886	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M-H+CF3COOH"	112.985586
"1300365"	478.088564	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Cl+CF3COOH"	148.962264
"1378527"	294.113624	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H-2H2O"	-35.012676
"1383266"	312.1236	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H-H2O"	-17.0027
"289151"	659.259876	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+H"	1.007276
"682668"	988.386176	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+H"	1.007276
"1352455"	330.133576	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H"	1.007276
"137374"	330.133576	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+2H"	2.014552
"578029"	494.696726	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+2H"	2.014552
"1050108"	165.570426	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2H"	2.014552
"213636"	220.424809333333	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+3H"	3.021828
"654289"	330.133576	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+3H"	3.021828
"1171322"	110.716042666667	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+3H"	3.021828
"438970"	676.286423	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+NH4"	18.033823
"795588"	1005.412723	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+NH4"	18.033823
"1691924"	347.160123	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+NH4"	18.033823
"342390"	338.6468495	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+H+NH4"	19.041099
"735905"	503.2099995	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+H+NH4"	19.041099
"1489721"	174.0836995	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H+NH4"	19.041099
"406214"	681.241818	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+Na"	22.989218
"761743"	1010.368118	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+Na"	22.989218
"1607656"	352.115518	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Na"	22.989218
"316963"	341.124547	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+H+Na"	23.996494
"713396"	505.687697	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+H+Na"	23.996494
"1467217"	176.561397	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H+Na"	23.996494
"1059369"	118.043356666667	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2H+Na"	25.00377
"1266517"	362.159786	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+CH3OH+H"	33.033486
"385092"	697.215758	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+K"	38.963158
"740255"	1026.342058	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+K"	38.963158
"1543765"	368.089458	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+K"	38.963158
"303127"	349.111517	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+H+K"	39.970434
"699923"	513.674667	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+H+K"	39.970434
"1447181"	184.548367	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H+K"	39.970434
"237605"	700.286426	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+ACN+H"	42.033826
"1210430"	371.160126	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+ACN+H"	42.033826
"1194670"	186.083701	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+ACN+2H"	43.041102
"189122"	703.22376	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+2Na-H"	44.97116
"628928"	1032.35006	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+2Na-H"	44.97116
"1133161"	374.09746	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2Na-H"	44.97116
"173779"	352.115518	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+2Na"	45.978436
"613700"	516.678668	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+2Na"	45.978436
"1116237"	187.552368	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2Na"	45.978436
"1398952"	125.370670666667	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H+2Na"	46.985712
"1430425"	376.139046	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H+HCOOH"	47.012746
"222198"	357.14854	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+3H2O+2H"	56.04448
"1511355"	390.19109	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+IsoProp+H"	61.06479
"414326"	360.102488	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+Na+K"	61.952376
"773130"	524.665638	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+Na+K"	61.952376
"1670558"	195.539338	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Na+K"	61.952376
"253794"	722.268368	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+ACN+Na"	64.015768
"1231975"	393.142068	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+ACN+Na"	64.015768
"1715757"	393.165593	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+NH4+HCOOH"	64.039293
"1181841"	132.697984666667	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+3Na"	68.967654
"1652828"	398.120988	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Na+HCOOH"	68.994688
"160050"	735.17164	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+2K-H"	76.91904
"605809"	1064.29794	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+2K-H"	76.91904
"1086309"	406.04534	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2K-H"	76.91904
"144586"	368.089458	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"2M+2K"	77.926316
"583053"	532.652608	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"3M+2K"	77.926316
"1070479"	203.526308	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2K"	77.926316
"1100411"	408.059892	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2K+H"	78.933592
"1337528"	408.147507	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+DMSO+H"	79.021207
"1012619"	412.186676	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2ACN+H"	83.060376
"1525033"	413.180308	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+IsoProp+Na+H"	84.054008
"992820"	206.596976	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+2ACN+2H"	84.067652
"1590603"	414.094928	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+K+HCOOH"	84.968628
"1416262"	444.126438	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+H+CF3COOH"	115.000138
"1147763"	227.110251	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+3ACN+2H"	125.094202
"1698658"	461.152985	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+NH4+CF3COOH"	132.026685
"1639414"	466.10838	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+Na+CF3COOH"	136.98208
"1583814"	482.08232	"C12166"	"1-O-Acetyllycorine"	"C18H19NO5"	"329.1263"	"M+K+CF3COOH"	152.95602
"809810"	285.1365	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M"	0
"986624"	266.11811	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"72681"	189.083724	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"517707"	284.129224	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"894052"	94.038224	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"11902"	284.129224	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"454011"	426.697474	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"830354"	141.560974	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"91443"	569.265724	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"529907"	854.402224	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"906621"	284.129224	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"56621"	586.292271	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"495086"	871.428771	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"869608"	301.155771	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"38603"	591.247666	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"472816"	876.384166	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"858152"	306.111166	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1621854"	306.111166	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"96195"	302.117563	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"539035"	444.685813	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"931093"	159.549313	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"269287"	605.242402	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"662810"	890.378902	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1280682"	320.105902	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"25425"	607.221606	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"466809"	892.358106	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"840600"	322.085106	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1555766"	322.085106	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"943137"	330.134694	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"365813"	615.271201	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"352977"	629.286851	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1495247"	344.150351	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"959009"	352.116651	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"110713"	320.105902	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"550639"	462.674152	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1026618"	177.537652	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1243642"	364.055385	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1306090"	366.111372	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1330517"	388.093329	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"924741"	398.122086	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1302298"	434.098764	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1369524"	250.123824	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1383860"	268.1338	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"284036"	571.280276	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"682778"	856.416776	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1364964"	286.143776	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"138216"	286.143776	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"578142"	428.712026	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1049857"	143.575526	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"213745"	191.098276	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"655494"	286.143776	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1172525"	96.052776	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"439080"	588.306823	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"799346"	873.443323	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1692034"	303.170323	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"342500"	294.6570495	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"736015"	437.2252995	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1489831"	152.0887995	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"405231"	593.262218	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"766957"	878.398718	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1607767"	308.125718	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"321082"	297.134747	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"713506"	439.702997	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1469515"	154.566497	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1059479"	103.38009	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1266627"	318.169986	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"384109"	609.236158	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"742917"	894.372658	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1547155"	324.099658	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"307611"	305.121717	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"697846"	447.689967	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1448020"	162.553467	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"239172"	612.306826	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1211031"	327.170326	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1194669"	164.088801	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"189603"	615.24416	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"628874"	900.38066	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1131817"	330.10766	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"172954"	308.125718	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"618926"	450.693968	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1118787"	165.557468	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1399878"	110.707404	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1430654"	332.149246	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"220391"	313.15874	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1511463"	346.20129	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"412612"	316.112688	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"776523"	458.680938	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1667388"	173.544438	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"259376"	634.288768	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1232085"	349.152268	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1716596"	349.175793	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1183044"	118.034718	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1657312"	354.131188	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"161984"	647.19204	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"609931"	932.32854	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1093713"	362.05554	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"151623"	324.099658	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"591185"	466.667908	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1074604"	181.531408	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1108907"	364.070092	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1345292"	364.157707	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1011635"	368.196876	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1524181"	369.190508	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"990251"	184.602076	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1588401"	370.105128	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1414547"	400.136638	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1147385"	205.115351	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1697671"	417.163185	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1635148"	422.11858	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1583924"	438.09252	"C12167"	"Cherylline"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"809920"	317.1263	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M"	0
"986734"	298.10791	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-H2O-H"	-19.01839
"76071"	210.410257333333	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M-3H"	-3.021828
"516361"	316.119024	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M-3H"	-3.021828
"892340"	104.701490666667	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-3H"	-3.021828
"13469"	316.119024	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M-2H"	-2.014552
"451573"	474.682174	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M-2H"	-2.014552
"830830"	157.555874	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-2H"	-2.014552
"88275"	633.245324	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M-H"	-1.007276
"532208"	950.371624	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M-H"	-1.007276
"906732"	316.119024	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-H"	-1.007276
"53453"	650.271871	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M-2H+NH4"	16.019271
"494104"	967.398171	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M-2H+NH4"	16.019271
"869719"	333.145571	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-2H+NH4"	16.019271
"41995"	655.227266	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M-2H+Na"	20.974666
"474263"	972.353566	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M-2H+Na"	20.974666
"853887"	338.100966	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-2H+Na"	20.974666
"1622693"	338.100966	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Na-2H"	20.974666
"99223"	334.107363	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M-H+Cl"	33.962126
"538782"	492.670513	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M-H+Cl"	33.962126
"931202"	175.544213	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-H+Cl"	33.962126
"270490"	669.222002	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+Cl"	34.969402
"662920"	986.348302	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+Cl"	34.969402
"1281885"	352.095702	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Cl"	34.969402
"25535"	671.201206	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M-2H+K"	36.948606
"468376"	988.327506	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M-2H+K"	36.948606
"840710"	354.074906	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-2H+K"	36.948606
"1556057"	354.074906	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+K-2H"	36.948606
"943329"	362.124494	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-H+HCOOH"	44.998194
"361666"	679.250801	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+HCOOH-H"	44.998201
"345906"	693.266451	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+Hac-H"	59.013851
"1492782"	376.140151	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Hac-H"	59.013851
"958999"	384.106451	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-H+NaCOOH"	66.980151
"110193"	352.095702	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+2Cl"	69.938804
"550129"	510.658852	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+2Cl"	69.938804
"1021978"	193.532552	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2Cl"	69.938804
"1242652"	396.045185	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Br"	78.918885
"1304376"	398.101172	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Cl+HCOOH"	80.974872
"1325159"	420.083129	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Cl+NaCOOH"	102.956829
"918407"	430.111886	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M-H+CF3COOH"	112.985586
"1301677"	466.088564	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Cl+CF3COOH"	148.962264
"1370363"	282.113624	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H-2H2O"	-35.012676
"1385310"	300.1236	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H-H2O"	-17.0027
"289371"	635.259876	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+H"	1.007276
"680701"	952.386176	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+H"	1.007276
"1365071"	318.133576	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H"	1.007276
"140147"	318.133576	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+2H"	2.014552
"580438"	476.696726	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+2H"	2.014552
"1051060"	159.570426	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2H"	2.014552
"213855"	212.424809333333	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+3H"	3.021828
"657790"	318.133576	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+3H"	3.021828
"1177743"	106.716042666667	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+3H"	3.021828
"437729"	652.286423	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+NH4"	18.033823
"796903"	969.412723	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+NH4"	18.033823
"1692143"	335.160123	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+NH4"	18.033823
"339328"	326.6468495	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+H+NH4"	19.041099
"737217"	485.2099995	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+H+NH4"	19.041099
"1489213"	168.0836995	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H+NH4"	19.041099
"406069"	657.241818	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+Na"	22.989218
"766337"	974.368118	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+Na"	22.989218
"1607875"	340.115518	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Na"	22.989218
"321193"	329.124547	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+H+Na"	23.996494
"716894"	487.687697	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+H+Na"	23.996494
"1469622"	170.561397	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H+Na"	23.996494
"1062867"	114.043356666667	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2H+Na"	25.00377
"1264547"	350.159786	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+CH3OH+H"	33.033486
"384219"	673.215758	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+K"	38.963158
"741933"	990.342058	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+K"	38.963158
"1545077"	356.089458	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+K"	38.963158
"305534"	337.111517	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+H+K"	39.970434
"697956"	495.674667	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+H+K"	39.970434
"1448495"	178.548367	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H+K"	39.970434
"237460"	676.286426	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+ACN+H"	42.033826
"1213452"	359.160126	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+ACN+H"	42.033826
"1194534"	180.083701	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+ACN+2H"	43.041102
"189230"	679.22376	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+2Na-H"	44.97116
"629022"	996.35006	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+2Na-H"	44.97116
"1131679"	362.09746	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2Na-H"	44.97116
"173021"	340.115518	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+2Na"	45.978436
"619036"	498.678668	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+2Na"	45.978436
"1118897"	181.552368	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2Na"	45.978436
"1399261"	121.370670666667	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H+2Na"	46.985712
"1429988"	364.139046	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H+HCOOH"	47.012746
"220105"	345.14854	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+3H2O+2H"	56.04448
"1510116"	378.19109	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+IsoProp+H"	61.06479
"409805"	348.102488	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+Na+K"	61.952376
"774081"	506.665638	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+Na+K"	61.952376
"1667131"	189.539338	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Na+K"	61.952376
"252922"	698.268368	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+ACN+Na"	64.015768
"1231828"	381.142068	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+ACN+Na"	64.015768
"1714152"	381.165593	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+NH4+HCOOH"	64.039293
"1184611"	128.697984666667	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+3Na"	68.967654
"1659608"	386.120988	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Na+HCOOH"	68.994688
"159542"	711.17164	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+2K-H"	76.91904
"607125"	1028.29794	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+2K-H"	76.91904
"1093823"	394.04534	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2K-H"	76.91904
"148453"	356.089458	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"2M+2K"	77.926316
"589109"	514.652608	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"3M+2K"	77.926316
"1074714"	197.526308	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2K"	77.926316
"1107924"	396.059892	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2K+H"	78.933592
"1342122"	396.147507	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+DMSO+H"	79.021207
"1012839"	400.186676	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2ACN+H"	83.060376
"1525128"	401.180308	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+IsoProp+Na+H"	84.054008
"990322"	200.596976	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+2ACN+2H"	84.067652
"1587024"	402.094928	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+K+HCOOH"	84.968628
"1414414"	432.126438	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+H+CF3COOH"	115.000138
"1149322"	221.110251	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+3ACN+2H"	125.094202
"1697783"	449.152985	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+NH4+CF3COOH"	132.026685
"1639634"	454.10838	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+Na+CF3COOH"	136.98208
"1584034"	470.08232	"C12168"	"Crinamidine"	"C17H19NO5"	"317.1263"	"M+K+CF3COOH"	152.95602
"813310"	361.1525	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M"	0
"985752"	342.13411	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-H2O-H"	-19.01839
"77275"	239.761057333333	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M-3H"	-3.021828
"514651"	360.145224	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M-3H"	-3.021828
"893544"	119.376890666667	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-3H"	-3.021828
"14672"	360.145224	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M-2H"	-2.014552
"452776"	540.721474	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M-2H"	-2.014552
"830575"	179.568974	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-2H"	-2.014552
"88384"	721.297724	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M-H"	-1.007276
"532197"	1082.450224	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M-H"	-1.007276
"907935"	360.145224	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-H"	-1.007276
"56843"	738.324271	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M-2H+NH4"	16.019271
"490934"	1099.476771	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M-2H+NH4"	16.019271
"869829"	377.171771	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-2H+NH4"	16.019271
"43198"	743.279666	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M-2H+Na"	20.974666
"474737"	1104.432166	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M-2H+Na"	20.974666
"855091"	382.127166	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-2H+Na"	20.974666
"1622802"	382.127166	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Na-2H"	20.974666
"99332"	378.133563	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M-H+Cl"	33.962126
"540716"	558.709813	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M-H+Cl"	33.962126
"932043"	197.557313	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-H+Cl"	33.962126
"269871"	757.274402	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+Cl"	34.969402
"663030"	1118.426902	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+Cl"	34.969402
"1281995"	396.121902	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Cl"	34.969402
"22365"	759.253606	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M-2H+K"	36.948606
"466299"	1120.406106	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M-2H+K"	36.948606
"840820"	398.101106	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-2H+K"	36.948606
"1556654"	398.101106	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+K-2H"	36.948606
"944169"	406.150694	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-H+HCOOH"	44.998194
"362751"	767.303201	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+HCOOH-H"	44.998201
"346630"	781.318851	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+Hac-H"	59.013851
"1493150"	420.166351	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Hac-H"	59.013851
"959110"	428.132651	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-H+NaCOOH"	66.980151
"110112"	396.121902	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+2Cl"	69.938804
"550025"	576.698152	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+2Cl"	69.938804
"1021381"	215.545652	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2Cl"	69.938804
"1241953"	440.071385	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Br"	78.918885
"1305217"	442.127372	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Cl+HCOOH"	80.974872
"1325269"	464.109329	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Cl+NaCOOH"	102.956829
"918517"	474.138086	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M-H+CF3COOH"	112.985586
"1301787"	510.114764	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Cl+CF3COOH"	148.962264
"1373389"	326.139824	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H-2H2O"	-35.012676
"1385418"	344.1498	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H-H2O"	-17.0027
"286199"	723.312276	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+H"	1.007276
"676477"	1084.464776	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+H"	1.007276
"1364450"	362.159776	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H"	1.007276
"138797"	362.159776	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+2H"	2.014552
"575079"	542.736026	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+2H"	2.014552
"1049345"	181.583526	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2H"	2.014552
"215058"	241.775609333333	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+3H"	3.021828
"653525"	362.159776	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+3H"	3.021828
"1174931"	121.391442666667	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+3H"	3.021828
"438325"	740.338823	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+NH4"	18.033823
"793729"	1101.491323	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+NH4"	18.033823
"1685692"	379.186323	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+NH4"	18.033823
"339438"	370.6730495	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+H+NH4"	19.041099
"735140"	551.2492995	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+H+NH4"	19.041099
"1483491"	190.0967995	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H+NH4"	19.041099
"399982"	745.294218	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+Na"	22.989218
"762072"	1106.446718	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+Na"	22.989218
"1604704"	384.141718	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Na"	22.989218
"323489"	373.150747	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+H+Na"	23.996494
"713724"	553.726997	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+H+Na"	23.996494
"1473012"	192.574497	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H+Na"	23.996494
"1064071"	128.718756666667	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2H+Na"	25.00377
"1263562"	394.185986	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+CH3OH+H"	33.033486
"381049"	761.268158	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+K"	38.963158
"740947"	1122.420658	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+K"	38.963158
"1547373"	400.115658	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+K"	38.963158
"305643"	381.137717	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+H+K"	39.970434
"699159"	561.713967	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+H+K"	39.970434
"1448970"	200.561467	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H+K"	39.970434
"237571"	764.338826	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+ACN+H"	42.033826
"1212834"	403.186326	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+ACN+H"	42.033826
"1194649"	202.096801	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+ACN+2H"	43.041102
"189950"	767.27616	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+2Na-H"	44.97116
"628621"	1128.42866	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+2Na-H"	44.97116
"1131523"	406.12366	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2Na-H"	44.97116
"173134"	384.141718	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+2Na"	45.978436
"617688"	564.717968	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+2Na"	45.978436
"1115879"	203.565468	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2Na"	45.978436
"1399126"	136.046070666667	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H+2Na"	46.985712
"1430149"	408.165246	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H+HCOOH"	47.012746
"220449"	389.17474	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+3H2O+2H"	56.04448
"1509011"	422.21729	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+IsoProp+H"	61.06479
"409550"	392.128688	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+Na+K"	61.952376
"774191"	572.704938	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+Na+K"	61.952376
"1666513"	211.552438	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Na+K"	61.952376
"254855"	786.320768	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+ACN+Na"	64.015768
"1231938"	425.168268	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+ACN+Na"	64.015768
"1714992"	425.191793	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+NH4+HCOOH"	64.039293
"1187639"	143.373384666667	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+3Na"	68.967654
"1660814"	430.147188	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Na+HCOOH"	68.994688
"165486"	799.22404	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+2K-H"	76.91904
"605049"	1160.37654	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+2K-H"	76.91904
"1093933"	438.07154	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2K-H"	76.91904
"145285"	400.115658	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"2M+2K"	77.926316
"581927"	580.691908	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"3M+2K"	77.926316
"1074824"	219.539408	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2K"	77.926316
"1108035"	440.086092	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2K+H"	78.933592
"1342232"	440.173707	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+DMSO+H"	79.021207
"1011857"	444.212876	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2ACN+H"	83.060376
"1524245"	445.206508	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+IsoProp+Na+H"	84.054008
"990027"	222.610076	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+2ACN+2H"	84.067652
"1590204"	446.121128	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+K+HCOOH"	84.968628
"1414647"	476.152638	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+H+CF3COOH"	115.000138
"1149068"	243.123351	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+3ACN+2H"	125.094202
"1698987"	493.179185	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+NH4+CF3COOH"	132.026685
"1639744"	498.13458	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+Na+CF3COOH"	136.98208
"1584144"	514.10852	"C12169"	"1-Epideacetylbowdensine"	"C19H23NO6"	"361.1525"	"M+K+CF3COOH"	152.95602
"813420"	289.1314	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M"	0
"985862"	270.11301	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-H2O-H"	-19.01839
"77264"	191.746990666667	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M-3H"	-3.021828
"516946"	288.124124	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M-3H"	-3.021828
"894630"	95.3698573333333	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-3H"	-3.021828
"12961"	288.124124	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M-2H"	-2.014552
"452519"	432.689824	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M-2H"	-2.014552
"829592"	143.558424	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-2H"	-2.014552
"93559"	577.255524	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M-H"	-1.007276
"533687"	866.386924	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M-H"	-1.007276
"910111"	288.124124	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-H"	-1.007276
"55859"	594.282071	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M-2H+NH4"	16.019271
"491774"	883.413471	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M-2H+NH4"	16.019271
"868482"	305.150671	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-2H+NH4"	16.019271
"38934"	599.237466	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M-2H+Na"	20.974666
"477401"	888.368866	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M-2H+Na"	20.974666
"852286"	310.106066	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-2H+Na"	20.974666
"1621091"	310.106066	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Na-2H"	20.974666
"97985"	306.112463	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M-H+Cl"	33.962126
"543013"	450.678163	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M-H+Cl"	33.962126
"931425"	161.546763	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-H+Cl"	33.962126
"269252"	613.232202	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+Cl"	34.969402
"664233"	902.363602	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+Cl"	34.969402
"1278824"	324.100802	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Cl"	34.969402
"19194"	615.211406	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M-2H+K"	36.948606
"463129"	904.342806	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M-2H+K"	36.948606
"840930"	326.080006	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-2H+K"	36.948606
"1556156"	326.080006	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+K-2H"	36.948606
"942855"	334.129594	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-H+HCOOH"	44.998194
"361581"	623.261001	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+HCOOH-H"	44.998201
"345747"	637.276651	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+Hac-H"	59.013851
"1492920"	348.145251	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Hac-H"	59.013851
"959018"	356.111551	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-H+NaCOOH"	66.980151
"110313"	324.100802	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+2Cl"	69.938804
"550151"	468.666502	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+2Cl"	69.938804
"1021432"	179.535102	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2Cl"	69.938804
"1241400"	368.050285	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Br"	78.918885
"1304282"	370.106272	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Cl+HCOOH"	80.974872
"1325379"	392.088229	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Cl+NaCOOH"	102.956829
"918627"	402.116986	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M-H+CF3COOH"	112.985586
"1300804"	438.093664	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Cl+CF3COOH"	148.962264
"1372406"	254.118724	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H-2H2O"	-35.012676
"1384072"	272.1287	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H-H2O"	-17.0027
"286310"	579.270076	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+H"	1.007276
"679827"	868.401476	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+H"	1.007276
"1364924"	290.138676	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H"	1.007276
"138907"	290.138676	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+2H"	2.014552
"576282"	434.704376	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+2H"	2.014552
"1050183"	145.572976	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2H"	2.014552
"211887"	193.761542666667	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+3H"	3.021828
"652541"	290.138676	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+3H"	3.021828
"1176135"	97.3844093333333	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+3H"	3.021828
"438313"	596.296623	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+NH4"	18.033823
"792747"	885.428023	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+NH4"	18.033823
"1685435"	307.165223	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+NH4"	18.033823
"333350"	298.6519495	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+H+NH4"	19.041099
"726135"	443.2176495	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+H+NH4"	19.041099
"1480318"	154.0862495	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H+NH4"	19.041099
"400092"	601.252018	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+Na"	22.989218
"756715"	890.383418	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+Na"	22.989218
"1607002"	312.120618	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Na"	22.989218
"318132"	301.129647	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+H+Na"	23.996494
"711647"	445.695347	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+H+Na"	23.996494
"1465468"	156.563947	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H+Na"	23.996494
"1057621"	104.711723333333	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2H+Na"	25.00377
"1263675"	322.164886	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+CH3OH+H"	33.033486
"379336"	617.225958	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+K"	38.963158
"742152"	906.357358	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+K"	38.963158
"1543111"	328.094558	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+K"	38.963158
"303568"	309.116617	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+H+K"	39.970434
"697082"	453.682317	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+H+K"	39.970434
"1447987"	164.550917	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H+K"	39.970434
"237681"	620.296626	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+ACN+H"	42.033826
"1213672"	331.165226	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+ACN+H"	42.033826
"1194638"	166.086251	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+ACN+2H"	43.041102
"191154"	623.23396	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+2Na-H"	44.97116
"629249"	912.36536	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+2Na-H"	44.97116
"1133125"	334.10256	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2Na-H"	44.97116
"174105"	312.120618	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+2Na"	45.978436
"617798"	456.686318	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+2Na"	45.978436
"1118022"	167.554918	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2Na"	45.978436
"1399601"	112.039037333333	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H+2Na"	46.985712
"1430989"	336.144146	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H+HCOOH"	47.012746
"220034"	317.15364	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+3H2O+2H"	56.04448
"1509844"	350.19619	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+IsoProp+H"	61.06479
"409656"	320.107588	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+Na+K"	61.952376
"771133"	464.673288	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+Na+K"	61.952376
"1666736"	175.541888	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Na+K"	61.952376
"252412"	642.278568	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+ACN+Na"	64.015768
"1226580"	353.147168	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+ACN+Na"	64.015768
"1714369"	353.170693	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+NH4+HCOOH"	64.039293
"1179481"	119.366351333333	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+3Na"	68.967654
"1659828"	358.126088	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Na+HCOOH"	68.994688
"160127"	655.18184	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+2K-H"	76.91904
"600055"	944.31324	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+2K-H"	76.91904
"1087482"	366.05044	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2K-H"	76.91904
"143209"	328.094558	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"2M+2K"	77.926316
"582769"	472.660258	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"3M+2K"	77.926316
"1069832"	183.528858	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2K"	77.926316
"1099957"	368.064992	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2K+H"	78.933592
"1336143"	368.152607	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+DMSO+H"	79.021207
"1005884"	372.191776	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2ACN+H"	83.060376
"1524327"	373.185408	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+IsoProp+Na+H"	84.054008
"990167"	186.599526	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+2ACN+2H"	84.067652
"1587027"	374.100028	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+K+HCOOH"	84.968628
"1414634"	404.131538	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+H+CF3COOH"	115.000138
"1149178"	207.112801	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+3ACN+2H"	125.094202
"1699826"	421.158085	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+NH4+CF3COOH"	132.026685
"1639853"	426.11348	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+Na+CF3COOH"	136.98208
"1584254"	442.08742	"C12170"	"Zephyranthine"	"C16H19NO4"	"289.1314"	"M+K+CF3COOH"	152.95602
"816082"	373.1525	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M"	0
"989620"	354.13411	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-H2O-H"	-19.01839
"78351"	247.761057333333	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M-3H"	-3.021828
"518029"	372.145224	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M-3H"	-3.021828
"894858"	123.376890666667	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-3H"	-3.021828
"15219"	372.145224	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M-2H"	-2.014552
"455058"	558.721474	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M-2H"	-2.014552
"831769"	185.568974	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-2H"	-2.014552
"93834"	745.297724	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M-H"	-1.007276
"532297"	1118.450224	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M-H"	-1.007276
"910100"	372.145224	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-H"	-1.007276
"61441"	762.324271	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M-2H+NH4"	16.019271
"490789"	1135.476771	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M-2H+NH4"	16.019271
"875519"	389.171771	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-2H+NH4"	16.019271
"42325"	767.279666	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M-2H+Na"	20.974666
"480791"	1140.432166	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M-2H+Na"	20.974666
"858592"	394.127166	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-2H+Na"	20.974666
"1630315"	394.127166	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Na-2H"	20.974666
"103563"	390.133563	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M-H+Cl"	33.962126
"547496"	576.709813	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M-H+Cl"	33.962126
"937735"	203.557313	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-H+Cl"	33.962126
"271919"	781.274402	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+Cl"	34.969402
"665436"	1154.426902	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+Cl"	34.969402
"1278935"	408.121902	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Cl"	34.969402
"22585"	783.253606	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M-2H+K"	36.948606
"463239"	1156.406106	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M-2H+K"	36.948606
"841040"	410.101106	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-2H+K"	36.948606
"1559060"	410.101106	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+K-2H"	36.948606
"942873"	418.150694	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-H+HCOOH"	44.998194
"361601"	791.303201	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+HCOOH-H"	44.998201
"346485"	805.318851	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+Hac-H"	59.013851
"1493368"	432.166351	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Hac-H"	59.013851
"959453"	440.132651	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-H+NaCOOH"	66.980151
"110187"	408.121902	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+2Cl"	69.938804
"550717"	594.698152	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+2Cl"	69.938804
"1022308"	221.545652	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2Cl"	69.938804
"1242010"	452.071385	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Br"	78.918885
"1306167"	454.127372	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Cl+HCOOH"	80.974872
"1326582"	476.109329	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Cl+NaCOOH"	102.956829
"922018"	486.138086	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M-H+CF3COOH"	112.985586
"1300914"	522.114764	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Cl+CF3COOH"	148.962264
"1372516"	338.139824	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H-2H2O"	-35.012676
"1386734"	356.1498	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H-H2O"	-17.0027
"288606"	747.312276	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+H"	1.007276
"678114"	1120.464776	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+H"	1.007276
"1362848"	374.159776	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H"	1.007276
"137925"	374.159776	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+2H"	2.014552
"578579"	560.736026	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+2H"	2.014552
"1047377"	187.583526	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2H"	2.014552
"209446"	249.775609333333	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+3H"	3.021828
"650463"	374.159776	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+3H"	3.021828
"1177948"	125.391442666667	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+3H"	3.021828
"439275"	764.338823	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+NH4"	18.033823
"791763"	1137.491323	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+NH4"	18.033823
"1686275"	391.186323	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+NH4"	18.033823
"338565"	382.6730495	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+H+NH4"	19.041099
"728798"	569.2492995	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+H+NH4"	19.041099
"1480065"	196.0967995	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H+NH4"	19.041099
"398017"	769.294218	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+Na"	22.989218
"755732"	1142.446718	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+Na"	22.989218
"1606019"	396.141718	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Na"	22.989218
"321525"	385.150747	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+H+Na"	23.996494
"711758"	571.726997	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+H+Na"	23.996494
"1466671"	198.574497	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H+Na"	23.996494
"1057730"	132.718756666667	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2H+Na"	25.00377
"1264878"	406.185986	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+CH3OH+H"	33.033486
"381267"	785.268158	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+K"	38.963158
"741170"	1158.420658	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+K"	38.963158
"1544313"	412.115658	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+K"	38.963158
"300395"	393.137717	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+H+K"	39.970434
"699380"	579.713967	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+H+K"	39.970434
"1446638"	206.561467	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H+K"	39.970434
"237062"	788.338826	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+ACN+H"	42.033826
"1211959"	415.186326	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+ACN+H"	42.033826
"1194418"	208.096801	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+ACN+2H"	43.041102
"189194"	791.27616	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+2Na-H"	44.97116
"628544"	1164.42866	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+2Na-H"	44.97116
"1131775"	418.12366	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2Na-H"	44.97116
"173236"	396.141718	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+2Na"	45.978436
"613282"	582.717968	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+2Na"	45.978436
"1115699"	209.565468	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2Na"	45.978436
"1398736"	140.046070666667	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H+2Na"	46.985712
"1429928"	420.165246	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H+HCOOH"	47.012746
"220003"	401.17474	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+3H2O+2H"	56.04448
"1508982"	434.21729	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+IsoProp+H"	61.06479
"408559"	404.128688	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+Na+K"	61.952376
"771492"	590.704938	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+Na+K"	61.952376
"1666121"	217.552438	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Na+K"	61.952376
"251912"	810.320768	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+ACN+Na"	64.015768
"1231065"	437.168268	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+ACN+Na"	64.015768
"1713629"	437.191793	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+NH4+HCOOH"	64.039293
"1178904"	147.373384666667	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+3Na"	68.967654
"1657754"	442.147188	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Na+HCOOH"	68.994688
"162062"	823.22404	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+2K-H"	76.91904
"600897"	1196.37654	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+2K-H"	76.91904
"1088685"	450.07154	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2K-H"	76.91904
"142708"	412.115658	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"2M+2K"	77.926316
"582509"	598.691908	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"3M+2K"	77.926316
"1068591"	225.539408	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2K"	77.926316
"1101085"	452.086092	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2K+H"	78.933592
"1340266"	452.173707	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+DMSO+H"	79.021207
"1007702"	456.212876	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2ACN+H"	83.060376
"1524361"	457.206508	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+IsoProp+Na+H"	84.054008
"990818"	228.610076	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+2ACN+2H"	84.067652
"1587097"	458.121128	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+K+HCOOH"	84.968628
"1414458"	488.152638	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+H+CF3COOH"	115.000138
"1147419"	249.123351	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+3ACN+2H"	125.094202
"1699936"	505.179185	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+NH4+CF3COOH"	132.026685
"1639963"	510.13458	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+Na+CF3COOH"	136.98208
"1584364"	526.10852	"C12171"	"12-O-Diacetylzephyranthine"	"C20H23NO6"	"373.1525"	"M+K+CF3COOH"	152.95602
"814734"	303.1471	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M"	0
"983891"	284.12871	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-H2O-H"	-19.01839
"74324"	201.090790666667	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M-3H"	-3.021828
"517531"	302.139824	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M-3H"	-3.021828
"894726"	100.041757333333	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-3H"	-3.021828
"11356"	302.139824	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M-2H"	-2.014552
"453103"	453.713374	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M-2H"	-2.014552
"829812"	150.566274	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-2H"	-2.014552
"90901"	605.286924	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M-H"	-1.007276
"531555"	908.434024	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M-H"	-1.007276
"910088"	302.139824	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-H"	-1.007276
"60453"	622.313471	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M-2H+NH4"	16.019271
"493451"	925.460571	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M-2H+NH4"	16.019271
"878786"	319.166371	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-2H+NH4"	16.019271
"44621"	627.268866	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M-2H+Na"	20.974666
"484180"	930.415966	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M-2H+Na"	20.974666
"857607"	324.121766	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-2H+Na"	20.974666
"1632370"	324.121766	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Na-2H"	20.974666
"108777"	320.128163	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M-H+Cl"	33.962126
"547606"	471.701713	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M-H+Cl"	33.962126
"934565"	168.554613	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-H+Cl"	33.962126
"277495"	641.263602	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+Cl"	34.969402
"668829"	944.410702	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+Cl"	34.969402
"1282325"	338.116502	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Cl"	34.969402
"26706"	643.242806	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M-2H+K"	36.948606
"461161"	946.389906	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M-2H+K"	36.948606
"841150"	340.095706	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-2H+K"	36.948606
"1561358"	340.095706	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+K-2H"	36.948606
"943772"	348.145294	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-H+HCOOH"	44.998194
"362098"	651.292401	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+HCOOH-H"	44.998201
"346355"	665.308051	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+Hac-H"	59.013851
"1493365"	362.160951	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Hac-H"	59.013851
"958551"	370.127251	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-H+NaCOOH"	66.980151
"110291"	338.116502	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+2Cl"	69.938804
"552898"	489.690052	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+2Cl"	69.938804
"1021970"	186.542952	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2Cl"	69.938804
"1244558"	382.065985	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Br"	78.918885
"1305913"	384.121972	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Cl+HCOOH"	80.974872
"1326692"	406.103929	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Cl+NaCOOH"	102.956829
"922128"	416.132686	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M-H+CF3COOH"	112.985586
"1299931"	452.109364	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Cl+CF3COOH"	148.962264
"1371532"	268.134424	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H-2H2O"	-35.012676
"1389031"	286.1444	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H-H2O"	-17.0027
"284340"	607.301476	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+H"	1.007276
"683329"	910.448576	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+H"	1.007276
"1365145"	304.154376	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H"	1.007276
"139133"	304.154376	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+2H"	2.014552
"578689"	455.727926	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+2H"	2.014552
"1051504"	152.580826	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2H"	2.014552
"211015"	203.105342666667	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+3H"	3.021828
"651669"	304.154376	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+3H"	3.021828
"1178179"	102.056309333333	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+3H"	3.021828
"438169"	624.328023	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+NH4"	18.033823
"791145"	927.475123	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+NH4"	18.033823
"1688207"	321.180923	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+NH4"	18.033823
"344872"	312.6676495	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+H+NH4"	19.041099
"732189"	464.2411995	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+H+NH4"	19.041099
"1482728"	161.0940995	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H+NH4"	19.041099
"397034"	629.283418	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+Na"	22.989218
"759123"	932.430518	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+Na"	22.989218
"1607222"	326.136318	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Na"	22.989218
"320542"	315.145347	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+H+Na"	23.996494
"710775"	466.718897	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+H+Na"	23.996494
"1468970"	163.571797	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H+Na"	23.996494
"1057843"	109.383623333333	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2H+Na"	25.00377
"1266082"	336.180586	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+CH3OH+H"	33.033486
"380284"	645.257358	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+K"	38.963158
"740908"	948.404458	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+K"	38.963158
"1544787"	342.110258	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+K"	38.963158
"301963"	323.132317	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+H+K"	39.970434
"692564"	474.705867	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+H+K"	39.970434
"1445930"	171.558767	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H+K"	39.970434
"236809"	648.328026	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+ACN+H"	42.033826
"1210242"	345.180926	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+ACN+H"	42.033826
"1194687"	173.094101	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+ACN+2H"	43.041102
"189300"	651.26536	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+2Na-H"	44.97116
"629349"	954.41246	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+2Na-H"	44.97116
"1132244"	348.11826	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2Na-H"	44.97116
"173711"	326.136318	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+2Na"	45.978436
"613758"	477.709868	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+2Na"	45.978436
"1116540"	174.562768	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2Na"	45.978436
"1399822"	116.710937333333	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H+2Na"	46.985712
"1430960"	350.159846	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H+HCOOH"	47.012746
"220574"	331.16934	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+3H2O+2H"	56.04448
"1509090"	364.21189	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+IsoProp+H"	61.06479
"409142"	334.123288	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+Na+K"	61.952376
"771605"	485.696838	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+Na+K"	61.952376
"1666475"	182.549738	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Na+K"	61.952376
"252632"	670.309968	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+ACN+Na"	64.015768
"1229352"	367.162868	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+ACN+Na"	64.015768
"1720061"	367.186393	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+NH4+HCOOH"	64.039293
"1186146"	124.038251333333	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+3Na"	68.967654
"1653851"	372.141788	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Na+HCOOH"	68.994688
"159619"	683.21324	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+2K-H"	76.91904
"598815"	986.36034	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+2K-H"	76.91904
"1087703"	380.06614	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2K-H"	76.91904
"142332"	342.110258	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"2M+2K"	77.926316
"585176"	493.683808	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"3M+2K"	77.926316
"1068955"	190.536708	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2K"	77.926316
"1100344"	382.080692	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2K+H"	78.933592
"1339282"	382.168307	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+DMSO+H"	79.021207
"1006233"	386.207476	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2ACN+H"	83.060376
"1524346"	387.201108	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+IsoProp+Na+H"	84.054008
"990194"	193.607376	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+2ACN+2H"	84.067652
"1587980"	388.115728	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+K+HCOOH"	84.968628
"1414255"	418.147238	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+H+CF3COOH"	115.000138
"1147332"	214.120651	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+3ACN+2H"	125.094202
"1697366"	435.173785	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+NH4+CF3COOH"	132.026685
"1640073"	440.12918	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+Na+CF3COOH"	136.98208
"1584474"	456.10312	"C12172"	"11alpha-Hydroxygalanthamine"	"C17H21NO4"	"303.1471"	"M+K+CF3COOH"	152.95602
"814479"	273.1365	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M"	0
"985094"	254.11811	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-H2O-H"	-19.01839
"77713"	181.083724	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M-3H"	-3.021828
"515818"	272.129224	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M-3H"	-3.021828
"891797"	90.038224	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-3H"	-3.021828
"11465"	272.129224	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M-2H"	-2.014552
"452119"	408.697474	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M-2H"	-2.014552
"829554"	135.560974	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-2H"	-2.014552
"92955"	545.265724	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M-H"	-1.007276
"532272"	818.402224	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M-H"	-1.007276
"908740"	272.129224	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-H"	-1.007276
"61050"	562.292271	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M-2H+NH4"	16.019271
"495749"	835.428771	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M-2H+NH4"	16.019271
"876830"	289.155771	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-2H+NH4"	16.019271
"41450"	567.247666	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M-2H+Na"	20.974666
"481010"	840.384166	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M-2H+Na"	20.974666
"858810"	294.111166	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-2H+Na"	20.974666
"1633700"	294.111166	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Na-2H"	20.974666
"108157"	290.117563	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M-H+Cl"	33.962126
"548567"	426.685813	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M-H+Cl"	33.962126
"933582"	153.549313	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-H+Cl"	33.962126
"276512"	581.242402	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+Cl"	34.969402
"672951"	854.378902	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+Cl"	34.969402
"1285718"	308.105902	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Cl"	34.969402
"26086"	583.221606	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M-2H+K"	36.948606
"461271"	856.358106	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M-2H+K"	36.948606
"837978"	310.085106	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-2H+K"	36.948606
"1561467"	310.085106	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+K-2H"	36.948606
"944246"	318.134694	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-H+HCOOH"	44.998194
"361972"	591.271201	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+HCOOH-H"	44.998201
"346699"	605.286851	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+Hac-H"	59.013851
"1497001"	332.150351	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Hac-H"	59.013851
"962355"	340.116651	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-H+NaCOOH"	66.980151
"110652"	308.105902	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+2Cl"	69.938804
"553008"	444.674152	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+2Cl"	69.938804
"1022048"	171.537652	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2Cl"	69.938804
"1245762"	352.055385	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Br"	78.918885
"1309304"	354.111372	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Cl+HCOOH"	80.974872
"1326803"	376.093329	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Cl+NaCOOH"	102.956829
"921145"	386.122086	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M-H+CF3COOH"	112.985586
"1302592"	422.098764	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Cl+CF3COOH"	148.962264
"1373829"	238.123824	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H-2H2O"	-35.012676
"1392421"	256.1338	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H-H2O"	-17.0027
"291013"	547.280276	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+H"	1.007276
"686719"	820.416776	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+H"	1.007276
"1364892"	274.143776	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H"	1.007276
"138878"	274.143776	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+2H"	2.014552
"579528"	410.712026	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+2H"	2.014552
"1047599"	137.575526	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2H"	2.014552
"210033"	183.098276	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+3H"	3.021828
"650686"	274.143776	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+3H"	3.021828
"1175370"	92.052776	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+3H"	3.021828
"438643"	564.306823	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+NH4"	18.033823
"793078"	837.443323	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+NH4"	18.033823
"1690504"	291.170323	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+NH4"	18.033823
"336595"	282.6570495	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+H+NH4"	19.041099
"729017"	419.2252995	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+H+NH4"	19.041099
"1481742"	146.0887995	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H+NH4"	19.041099
"400426"	569.262218	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+Na"	22.989218
"758140"	842.398718	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+Na"	22.989218
"1607332"	296.125718	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Na"	22.989218
"321745"	285.134747	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+H+Na"	23.996494
"711978"	421.702997	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+H+Na"	23.996494
"1465800"	148.566497	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H+Na"	23.996494
"1057953"	99.38009	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2H+Na"	25.00377
"1260726"	306.169986	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+CH3OH+H"	33.033486
"384768"	585.236158	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+K"	38.963158
"740049"	858.372658	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+K"	38.963158
"1540398"	312.099658	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+K"	38.963158
"302439"	293.121717	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+H+K"	39.970434
"691937"	429.689967	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+H+K"	39.970434
"1446981"	156.553467	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H+K"	39.970434
"236186"	588.306826	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+ACN+H"	42.033826
"1210597"	315.170326	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+ACN+H"	42.033826
"1195450"	158.088801	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+ACN+2H"	43.041102
"188766"	591.24416	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+2Na-H"	44.97116
"629095"	864.38066	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+2Na-H"	44.97116
"1132356"	318.10766	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2Na-H"	44.97116
"174677"	296.125718	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+2Na"	45.978436
"614357"	432.693968	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+2Na"	45.978436
"1116773"	159.557468	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2Na"	45.978436
"1400175"	106.707404	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H+2Na"	46.985712
"1430710"	320.149246	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H+HCOOH"	47.012746
"220524"	301.15874	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+3H2O+2H"	56.04448
"1508955"	334.20129	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+IsoProp+H"	61.06479
"409250"	304.112688	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+Na+K"	61.952376
"771712"	440.680938	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+Na+K"	61.952376
"1666584"	167.544438	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Na+K"	61.952376
"253107"	610.288768	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+ACN+Na"	64.015768
"1227638"	337.152268	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+ACN+Na"	64.015768
"1720171"	337.175793	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+NH4+HCOOH"	64.039293
"1185892"	114.034718	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+3Na"	68.967654
"1657975"	342.131188	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Na+HCOOH"	68.994688
"158636"	623.19204	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+2K-H"	76.91904
"598438"	896.32854	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+2K-H"	76.91904
"1087814"	350.05554	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2K-H"	76.91904
"145725"	312.099658	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"2M+2K"	77.926316
"586379"	448.667908	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"3M+2K"	77.926316
"1069793"	175.531408	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2K"	77.926316
"1100692"	352.070092	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2K+H"	78.933592
"1339392"	352.157707	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+DMSO+H"	79.021207
"1006581"	356.196876	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2ACN+H"	83.060376
"1524499"	357.190508	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+IsoProp+Na+H"	84.054008
"990788"	178.602076	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+2ACN+2H"	84.067652
"1587723"	358.105128	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+K+HCOOH"	84.968628
"1414476"	388.136638	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+H+CF3COOH"	115.000138
"1147805"	199.115351	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+3ACN+2H"	125.094202
"1697719"	405.163185	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+NH4+CF3COOH"	132.026685
"1640183"	410.11858	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+Na+CF3COOH"	136.98208
"1584584"	426.09252	"C12173"	"Norgalanthamine;N-Demethylgalanthamine"	"C16H19NO3"	"273.1365"	"M+K+CF3COOH"	152.95602
"814954"	317.1263	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M"	0
"983018"	298.10791	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-H2O-H"	-19.01839
"77459"	210.410257333333	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M-3H"	-3.021828
"516291"	316.119024	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M-3H"	-3.021828
"893001"	104.701490666667	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-3H"	-3.021828
"13762"	316.119024	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M-2H"	-2.014552
"452229"	474.682174	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M-2H"	-2.014552
"830032"	157.555874	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-2H"	-2.014552
"91120"	633.245324	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M-H"	-1.007276
"531410"	950.371624	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M-H"	-1.007276
"908482"	316.119024	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-H"	-1.007276
"61523"	650.271871	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M-2H+NH4"	16.019271
"488568"	967.398171	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M-2H+NH4"	16.019271
"873662"	333.145571	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-2H+NH4"	16.019271
"38645"	655.227266	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M-2H+Na"	20.974666
"485493"	972.353566	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M-2H+Na"	20.974666
"860014"	338.100966	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-2H+Na"	20.974666
"1624447"	338.100966	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Na-2H"	20.974666
"103893"	334.107363	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M-H+Cl"	33.962126
"544546"	492.670513	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M-H+Cl"	33.962126
"934786"	175.544213	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-H+Cl"	33.962126
"276622"	669.222002	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+Cl"	34.969402
"673304"	986.348302	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+Cl"	34.969402
"1286192"	352.095702	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Cl"	34.969402
"26196"	671.201206	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M-2H+K"	36.948606
"463567"	988.327506	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M-2H+K"	36.948606
"838088"	354.074906	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-2H+K"	36.948606
"1561577"	354.074906	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+K-2H"	36.948606
"944235"	362.124494	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-H+HCOOH"	44.998194
"361962"	679.250801	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+HCOOH-H"	44.998201
"346087"	693.266451	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+Hac-H"	59.013851
"1497111"	376.140151	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Hac-H"	59.013851
"962465"	384.106451	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-H+NaCOOH"	66.980151
"113559"	352.095702	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+2Cl"	69.938804
"552146"	510.658852	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+2Cl"	69.938804
"1021917"	193.532552	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2Cl"	69.938804
"1244049"	396.045185	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Br"	78.918885
"1310507"	398.101172	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Cl+HCOOH"	80.974872
"1330193"	420.083129	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Cl+NaCOOH"	102.956829
"921255"	430.111886	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M-H+CF3COOH"	112.985586
"1300150"	466.088564	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Cl+CF3COOH"	148.962264
"1371752"	282.113624	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H-2H2O"	-35.012676
"1389250"	300.1236	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H-H2O"	-17.0027
"283706"	635.259876	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+H"	1.007276
"681360"	952.386176	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+H"	1.007276
"1359894"	318.133576	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H"	1.007276
"138255"	318.133576	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+2H"	2.014552
"576722"	476.696726	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+2H"	2.014552
"1047709"	159.570426	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2H"	2.014552
"209048"	212.424809333333	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+3H"	3.021828
"648973"	318.133576	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+3H"	3.021828
"1172199"	106.716042666667	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+3H"	3.021828
"437658"	652.286423	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+NH4"	18.033823
"792094"	969.412723	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+NH4"	18.033823
"1687695"	335.160123	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+NH4"	18.033823
"338893"	326.6468495	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+H+NH4"	19.041099
"731316"	485.2099995	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+H+NH4"	19.041099
"1481852"	168.0836995	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H+NH4"	19.041099
"400536"	657.241818	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+Na"	22.989218
"757157"	974.368118	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+Na"	22.989218
"1608535"	340.115518	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Na"	22.989218
"322948"	329.124547	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+H+Na"	23.996494
"714274"	487.687697	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+H+Na"	23.996494
"1464814"	170.561397	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H+Na"	23.996494
"1053689"	114.043356666667	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2H+Na"	25.00377
"1259013"	350.159786	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+CH3OH+H"	33.033486
"378193"	673.215758	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+K"	38.963158
"739796"	990.342058	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+K"	38.963158
"1540756"	356.089458	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+K"	38.963158
"299633"	337.111517	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+H+K"	39.970434
"691481"	495.674667	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+H+K"	39.970434
"1446359"	178.548367	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H+K"	39.970434
"236664"	676.286426	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+ACN+H"	42.033826
"1209945"	359.160126	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+ACN+H"	42.033826
"1194586"	180.083701	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+ACN+2H"	43.041102
"188960"	679.22376	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+2Na-H"	44.97116
"629125"	996.35006	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+2Na-H"	44.97116
"1131521"	362.09746	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2Na-H"	44.97116
"174909"	340.115518	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+2Na"	45.978436
"614591"	498.678668	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+2Na"	45.978436
"1118462"	181.552368	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2Na"	45.978436
"1399432"	121.370670666667	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H+2Na"	46.985712
"1431185"	364.139046	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H+HCOOH"	47.012746
"221249"	345.14854	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+3H2O+2H"	56.04448
"1508739"	378.19109	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+IsoProp+H"	61.06479
"409730"	348.102488	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+Na+K"	61.952376
"771208"	506.665638	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+Na+K"	61.952376
"1666690"	189.539338	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Na+K"	61.952376
"254673"	698.268368	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+ACN+Na"	64.015768
"1228475"	381.142068	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+ACN+Na"	64.015768
"1717365"	381.165593	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+NH4+HCOOH"	64.039293
"1181626"	128.697984666667	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+3Na"	68.967654
"1654804"	386.120988	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Na+HCOOH"	68.994688
"159961"	711.17164	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+2K-H"	76.91904
"598427"	1028.29794	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+2K-H"	76.91904
"1087925"	394.04534	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2K-H"	76.91904
"142551"	356.089458	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"2M+2K"	77.926316
"583206"	514.652608	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"3M+2K"	77.926316
"1072094"	197.526308	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2K"	77.926316
"1103116"	396.059892	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2K+H"	78.933592
"1339502"	396.147507	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+DMSO+H"	79.021207
"1006448"	400.186676	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2ACN+H"	83.060376
"1524815"	401.180308	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+IsoProp+Na+H"	84.054008
"990163"	200.596976	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+2ACN+2H"	84.067652
"1587143"	402.094928	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+K+HCOOH"	84.968628
"1417142"	432.126438	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+H+CF3COOH"	115.000138
"1148527"	221.110251	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+3ACN+2H"	125.094202
"1702453"	449.152985	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+NH4+CF3COOH"	132.026685
"1640293"	454.10838	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+Na+CF3COOH"	136.98208
"1584694"	470.08232	"C12174"	"Haemanthidine;Hemanthidine"	"C17H19NO5"	"317.1263"	"M+K+CF3COOH"	152.95602
"813607"	641.32	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M"	0
"983128"	622.30161	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-H2O-H"	-19.01839
"75384"	426.539390666667	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M-3H"	-3.021828
"515308"	640.312724	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M-3H"	-3.021828
"890924"	212.766057333333	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-3H"	-3.021828
"14360"	640.312724	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M-2H"	-2.014552
"454163"	960.972724	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M-2H"	-2.014552
"829049"	319.652724	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-2H"	-2.014552
"93176"	1281.632724	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M-H"	-1.007276
"531884"	1922.952724	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M-H"	-1.007276
"908472"	640.312724	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-H"	-1.007276
"56410"	1298.659271	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M-2H+NH4"	16.019271
"489408"	1939.979271	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M-2H+NH4"	16.019271
"869762"	657.339271	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-2H+NH4"	16.019271
"43858"	1303.614666	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M-2H+Na"	20.974666
"481231"	1944.934666	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M-2H+Na"	20.974666
"856846"	662.294666	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-2H+Na"	20.974666
"1630028"	662.294666	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Na-2H"	20.974666
"106922"	658.301063	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M-H+Cl"	33.962126
"546480"	978.961063	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M-H+Cl"	33.962126
"929428"	337.641063	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-H+Cl"	33.962126
"272358"	1317.609402	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+Cl"	34.969402
"672439"	1958.929402	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+Cl"	34.969402
"1283749"	676.289402	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Cl"	34.969402
"23024"	1319.588606	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M-2H+K"	36.948606
"460397"	1960.908606	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M-2H+K"	36.948606
"836011"	678.268606	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-2H+K"	36.948606
"1560594"	678.268606	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+K-2H"	36.948606
"946290"	686.318194	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-H+HCOOH"	44.998194
"361435"	1327.638201	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+HCOOH-H"	44.998201
"347295"	1341.653851	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+Hac-H"	59.013851
"1497221"	700.333851	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Hac-H"	59.013851
"960386"	708.300151	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-H+NaCOOH"	66.980151
"110223"	676.289402	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+2Cl"	69.938804
"552136"	996.949402	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+2Cl"	69.938804
"1026404"	355.629402	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2Cl"	69.938804
"1241524"	720.238885	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Br"	78.918885
"1307338"	722.294872	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Cl+HCOOH"	80.974872
"1324836"	744.276829	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Cl+NaCOOH"	102.956829
"921365"	754.305586	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M-H+CF3COOH"	112.985586
"1299167"	790.282264	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Cl+CF3COOH"	148.962264
"1371862"	606.307324	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H-2H2O"	-35.012676
"1388267"	624.3173	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H-H2O"	-17.0027
"284670"	1283.647276	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+H"	1.007276
"679647"	1924.967276	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+H"	1.007276
"1358912"	642.327276	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H"	1.007276
"137272"	642.327276	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+2H"	2.014552
"576832"	962.987276	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+2H"	2.014552
"1047820"	321.667276	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2H"	2.014552
"210251"	428.553942666667	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+3H"	3.021828
"651999"	642.327276	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+3H"	3.021828
"1173404"	214.780609333333	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+3H"	3.021828
"436676"	1300.673823	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+NH4"	18.033823
"790383"	1941.993823	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+NH4"	18.033823
"1686348"	659.353823	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+NH4"	18.033823
"336816"	650.8405495	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+H+NH4"	19.041099
"724985"	971.5005495	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+H+NH4"	19.041099
"1477250"	330.1805495	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H+NH4"	19.041099
"396271"	1305.629218	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+Na"	22.989218
"759453"	1946.949218	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+Na"	22.989218
"1603541"	664.309218	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Na"	22.989218
"317589"	653.318247	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+H+Na"	23.996494
"711104"	973.978247	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+H+Na"	23.996494
"1466018"	332.658247	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H+Na"	23.996494
"1053433"	222.107923333333	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2H+Na"	25.00377
"1257784"	674.353486	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+CH3OH+H"	33.033486
"377225"	1321.603158	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+K"	38.963158
"739014"	1962.923158	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+K"	38.963158
"1542205"	680.283158	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+K"	38.963158
"302659"	661.305217	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+H+K"	39.970434
"694717"	981.965217	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+H+K"	39.970434
"1445902"	340.645217	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H+K"	39.970434
"240058"	1324.673826	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+ACN+H"	42.033826
"1210129"	683.353826	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+ACN+H"	42.033826
"1194234"	342.180551	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+ACN+2H"	43.041102
"188823"	1327.61116	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+2Na-H"	44.97116
"629074"	1968.93116	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+2Na-H"	44.97116
"1131457"	686.29116	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2Na-H"	44.97116
"173442"	664.309218	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+2Na"	45.978436
"613609"	984.969218	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+2Na"	45.978436
"1117114"	343.649218	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2Na"	45.978436
"1398692"	229.435237333333	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H+2Na"	46.985712
"1430930"	688.332746	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H+HCOOH"	47.012746
"220089"	669.34224	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+3H2O+2H"	56.04448
"1508480"	702.38479	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+IsoProp+H"	61.06479
"409476"	672.296188	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+Na+K"	61.952376
"769982"	992.956188	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+Na+K"	61.952376
"1666072"	351.636188	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Na+K"	61.952376
"252597"	1346.655768	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+ACN+Na"	64.015768
"1227127"	705.335768	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+ACN+Na"	64.015768
"1715289"	705.359293	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+NH4+HCOOH"	64.039293
"1183196"	236.762551333333	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+3Na"	68.967654
"1652726"	710.314688	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Na+HCOOH"	68.994688
"160680"	1359.55904	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+2K-H"	76.91904
"597561"	2000.87904	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+2K-H"	76.91904
"1088035"	718.23904	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2K-H"	76.91904
"149226"	680.283158	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"2M+2K"	77.926316
"583683"	1000.943158	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"3M+2K"	77.926316
"1070140"	359.623158	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2K"	77.926316
"1100548"	720.253592	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2K+H"	78.933592
"1336085"	720.341207	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+DMSO+H"	79.021207
"1006316"	724.380376	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2ACN+H"	83.060376
"1525169"	725.374008	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+IsoProp+Na+H"	84.054008
"989938"	362.693826	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+2ACN+2H"	84.067652
"1588068"	726.288628	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+K+HCOOH"	84.968628
"1415432"	756.320138	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+H+CF3COOH"	115.000138
"1149731"	383.207101	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+3ACN+2H"	125.094202
"1699282"	773.346685	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+NH4+CF3COOH"	132.026685
"1643683"	778.30208	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+Na+CF3COOH"	136.98208
"1584804"	794.27602	"C12176"	"Proansamycin X"	"C35H47NO10"	"641.32"	"M+K+CF3COOH"	152.95602
"816026"	443.2308	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M"	0
"988705"	424.21241	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-H2O-H"	-19.01839
"75494"	294.479924	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M-3H"	-3.021828
"514325"	442.223524	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M-3H"	-3.021828
"893221"	146.736324	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-3H"	-3.021828
"14107"	442.223524	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M-2H"	-2.014552
"454032"	663.838924	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M-2H"	-2.014552
"830862"	220.608124	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-2H"	-2.014552
"92070"	885.454324	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M-H"	-1.007276
"532118"	1328.685124	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M-H"	-1.007276
"909921"	442.223524	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-H"	-1.007276
"58707"	902.480871	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M-2H+NH4"	16.019271
"493894"	1345.711671	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M-2H+NH4"	16.019271
"867321"	459.250071	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-2H+NH4"	16.019271
"38502"	907.436266	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M-2H+Na"	20.974666
"483529"	1350.667066	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M-2H+Na"	20.974666
"855863"	464.205466	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-2H+Na"	20.974666
"1632324"	464.205466	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Na-2H"	20.974666
"106303"	460.211863	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M-H+Cl"	33.962126
"545497"	681.827263	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M-H+Cl"	33.962126
"928809"	238.596463	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-H+Cl"	33.962126
"272468"	921.431002	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+Cl"	34.969402
"672552"	1364.661802	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+Cl"	34.969402
"1284953"	478.200202	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Cl"	34.969402
"20948"	923.410206	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M-2H+K"	36.948606
"461601"	1366.641006	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M-2H+K"	36.948606
"838307"	480.179406	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-2H+K"	36.948606
"1563984"	480.179406	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+K-2H"	36.948606
"946400"	488.228994	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-H+HCOOH"	44.998194
"362429"	931.459801	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+HCOOH-H"	44.998201
"350686"	945.475451	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+Hac-H"	59.013851
"1496237"	502.244651	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Hac-H"	59.013851
"960498"	510.210951	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-H+NaCOOH"	66.980151
"112687"	478.200202	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+2Cl"	69.938804
"554433"	699.815602	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+2Cl"	69.938804
"1026514"	256.584802	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2Cl"	69.938804
"1243905"	522.149685	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Br"	78.918885
"1307449"	524.205672	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Cl+HCOOH"	80.974872
"1326041"	546.187629	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Cl+NaCOOH"	102.956829
"922569"	556.216386	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M-H+CF3COOH"	112.985586
"1297091"	592.193064	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Cl+CF3COOH"	148.962264
"1371972"	408.218124	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H-2H2O"	-35.012676
"1390564"	426.2281	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H-H2O"	-17.0027
"283688"	887.468876	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+H"	1.007276
"680487"	1330.699676	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+H"	1.007276
"1357929"	444.238076	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H"	1.007276
"139206"	444.238076	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+2H"	2.014552
"576942"	665.853476	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+2H"	2.014552
"1047930"	222.622676	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2H"	2.014552
"207445"	296.494476	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+3H"	3.021828
"648829"	444.238076	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+3H"	3.021828
"1172421"	148.750876	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+3H"	3.021828
"436786"	904.495423	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+NH4"	18.033823
"793409"	1347.726223	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+NH4"	18.033823
"1689738"	461.264623	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+NH4"	18.033823
"331458"	452.7513495	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+H+NH4"	19.041099
"723880"	674.3667495	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+H+NH4"	19.041099
"1477456"	231.1359495	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H+NH4"	19.041099
"397477"	909.450818	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+Na"	22.989218
"759565"	1352.681618	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+Na"	22.989218
"1603206"	466.220018	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Na"	22.989218
"317701"	455.229047	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+H+Na"	23.996494
"711215"	676.844447	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+H+Na"	23.996494
"1466130"	233.613647	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H+Na"	23.996494
"1055003"	156.07819	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2H+Na"	25.00377
"1258869"	476.264286	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+CH3OH+H"	33.033486
"378172"	925.424758	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+K"	38.963158
"739652"	1368.655558	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+K"	38.963158
"1541950"	482.193958	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+K"	38.963158
"303863"	463.216017	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+H+K"	39.970434
"692638"	684.831417	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+H+K"	39.970434
"1447190"	241.600617	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H+K"	39.970434
"237614"	928.495426	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+ACN+H"	42.033826
"1210322"	485.264626	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+ACN+H"	42.033826
"1194522"	243.135951	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+ACN+2H"	43.041102
"189260"	931.43276	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+2Na-H"	44.97116
"629554"	1374.66356	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+2Na-H"	44.97116
"1132330"	488.20196	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2Na-H"	44.97116
"173795"	466.220018	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+2Na"	45.978436
"614447"	687.835418	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+2Na"	45.978436
"1117225"	244.604618	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2Na"	45.978436
"1399289"	163.405504	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H+2Na"	46.985712
"1431409"	490.243546	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H+HCOOH"	47.012746
"222202"	471.25304	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+3H2O+2H"	56.04448
"1509533"	504.29559	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+IsoProp+H"	61.06479
"409950"	474.206988	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+Na+K"	61.952376
"770578"	695.822388	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+Na+K"	61.952376
"1666548"	252.591588	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Na+K"	61.952376
"253072"	950.477368	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+ACN+Na"	64.015768
"1226872"	507.246568	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+ACN+Na"	64.015768
"1713124"	507.270093	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+NH4+HCOOH"	64.039293
"1178680"	170.732818	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+3Na"	68.967654
"1650004"	512.225488	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Na+HCOOH"	68.994688
"157181"	963.38064	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+2K-H"	76.91904
"598270"	1406.61144	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+2K-H"	76.91904
"1084847"	520.14984	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2K-H"	76.91904
"141587"	482.193958	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"2M+2K"	77.926316
"581711"	703.809358	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"3M+2K"	77.926316
"1069265"	260.578558	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2K"	77.926316
"1099946"	522.164392	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2K+H"	78.933592
"1336563"	522.252007	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+DMSO+H"	79.021207
"1005756"	526.291176	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2ACN+H"	83.060376
"1525406"	527.284808	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+IsoProp+Na+H"	84.054008
"989947"	263.649226	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+2ACN+2H"	84.067652
"1587196"	528.199428	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+K+HCOOH"	84.968628
"1414929"	558.230938	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+H+CF3COOH"	115.000138
"1148377"	284.162501	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+3ACN+2H"	125.094202
"1697567"	575.257485	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+NH4+CF3COOH"	132.026685
"1640512"	580.21288	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+Na+CF3COOH"	136.98208
"1584914"	596.18682	"C12177"	"Proansamitocin"	"C25H33NO6"	"443.2308"	"M+K+CF3COOH"	152.95602
"814919"	329.1263	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M"	0
"986628"	310.10791	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-H2O-H"	-19.01839
"73783"	218.410257333333	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M-3H"	-3.021828
"515527"	328.119024	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M-3H"	-3.021828
"892238"	108.701490666667	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-3H"	-3.021828
"11906"	328.119024	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M-2H"	-2.014552
"452561"	492.682174	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M-2H"	-2.014552
"829270"	163.555874	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-2H"	-2.014552
"91816"	657.245324	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M-H"	-1.007276
"531010"	986.371624	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M-H"	-1.007276
"907356"	328.119024	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-H"	-1.007276
"48245"	674.271871	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M-2H+NH4"	16.019271
"487679"	1003.398171	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M-2H+NH4"	16.019271
"867431"	345.145571	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-2H+NH4"	16.019271
"38247"	679.227266	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M-2H+Na"	20.974666
"481452"	1008.353566	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M-2H+Na"	20.974666
"857066"	350.100966	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-2H+Na"	20.974666
"1630613"	350.100966	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Na-2H"	20.974666
"104226"	346.107363	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M-H+Cl"	33.962126
"541596"	510.670513	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M-H+Cl"	33.962126
"928555"	181.544213	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-H+Cl"	33.962126
"274764"	693.222002	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+Cl"	34.969402
"671567"	1022.348302	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+Cl"	34.969402
"1279596"	364.095702	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Cl"	34.969402
"21058"	695.201206	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M-2H+K"	36.948606
"459524"	1024.327506	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M-2H+K"	36.948606
"835138"	366.074906	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-2H+K"	36.948606
"1560814"	366.074906	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+K-2H"	36.948606
"946510"	374.124494	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-H+HCOOH"	44.998194
"371287"	703.250801	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+HCOOH-H"	44.998201
"345769"	717.266451	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+Hac-H"	59.013851
"1496347"	388.140151	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Hac-H"	59.013851
"961700"	396.106451	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-H+NaCOOH"	66.980151
"114984"	364.095702	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+2Cl"	69.938804
"554543"	528.658852	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+2Cl"	69.938804
"1029904"	199.532552	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2Cl"	69.938804
"1245108"	408.045185	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Br"	78.918885
"1308652"	410.101172	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Cl+HCOOH"	80.974872
"1328338"	432.083129	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Cl+NaCOOH"	102.956829
"921586"	442.111886	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M-H+CF3COOH"	112.985586
"1298293"	478.088564	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Cl+CF3COOH"	148.962264
"1376455"	294.113624	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H-2H2O"	-35.012676
"1387393"	312.1236	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H-H2O"	-17.0027
"288173"	659.259876	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+H"	1.007276
"680597"	988.386176	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+H"	1.007276
"1356946"	330.133576	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H"	1.007276
"140044"	330.133576	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+2H"	2.014552
"578511"	494.696726	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+2H"	2.014552
"1047676"	165.570426	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2H"	2.014552
"209381"	220.424809333333	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+3H"	3.021828
"651128"	330.133576	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+3H"	3.021828
"1168158"	110.716042666667	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+3H"	3.021828
"436896"	676.286423	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+NH4"	18.033823
"790239"	1005.412723	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+NH4"	18.033823
"1686569"	347.160123	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+NH4"	18.033823
"333756"	338.6468495	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+H+NH4"	19.041099
"723749"	503.2099995	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+H+NH4"	19.041099
"1477444"	174.0836995	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H+NH4"	19.041099
"396126"	681.241818	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+Na"	22.989218
"756270"	1010.368118	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+Na"	22.989218
"1603276"	352.115518	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Na"	22.989218
"317811"	341.124547	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+H+Na"	23.996494
"711325"	505.687697	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+H+Na"	23.996494
"1462958"	176.561397	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H+Na"	23.996494
"1056207"	118.043356666667	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2H+Na"	25.00377
"1260438"	362.159786	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+CH3OH+H"	33.033486
"380469"	697.215758	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+K"	38.963158
"738903"	1026.342058	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+K"	38.963158
"1541694"	368.089458	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+K"	38.963158
"299597"	349.111517	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+H+K"	39.970434
"692745"	513.674667	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+H+K"	39.970434
"1446692"	184.548367	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H+K"	39.970434
"236385"	700.286426	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+ACN+H"	42.033826
"1210909"	371.160126	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+ACN+H"	42.033826
"1194797"	186.083701	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+ACN+2H"	43.041102
"190219"	703.22376	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+2Na-H"	44.97116
"630027"	1032.35006	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+2Na-H"	44.97116
"1133894"	374.09746	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2Na-H"	44.97116
"175362"	352.115518	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+2Na"	45.978436
"621123"	516.678668	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+2Na"	45.978436
"1118427"	187.552368	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2Na"	45.978436
"1400130"	125.370670666667	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H+2Na"	46.985712
"1431879"	376.139046	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H+HCOOH"	47.012746
"221580"	357.14854	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+3H2O+2H"	56.04448
"1511099"	390.19109	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+IsoProp+H"	61.06479
"410424"	360.102488	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+Na+K"	61.952376
"771055"	524.665638	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+Na+K"	61.952376
"1666292"	195.539338	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Na+K"	61.952376
"252202"	722.268368	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+ACN+Na"	64.015768
"1227710"	393.142068	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+ACN+Na"	64.015768
"1713153"	393.165593	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+NH4+HCOOH"	64.039293
"1180863"	132.697984666667	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+3Na"	68.967654
"1650061"	398.120988	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Na+HCOOH"	68.994688
"157403"	735.17164	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+2K-H"	76.91904
"597328"	1064.29794	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+2K-H"	76.91904
"1084801"	406.04534	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2K-H"	76.91904
"142388"	368.089458	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"2M+2K"	77.926316
"582189"	532.652608	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"3M+2K"	77.926316
"1069008"	203.526308	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2K"	77.926316
"1100118"	408.059892	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2K+H"	78.933592
"1338739"	408.147507	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+DMSO+H"	79.021207
"1006292"	412.186676	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2ACN+H"	83.060376
"1527582"	413.180308	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+IsoProp+Na+H"	84.054008
"990991"	206.596976	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+2ACN+2H"	84.067652
"1587436"	414.094928	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+K+HCOOH"	84.968628
"1416380"	444.126438	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+H+CF3COOH"	115.000138
"1148855"	227.110251	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+3ACN+2H"	125.094202
"1700596"	461.152985	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+NH4+CF3COOH"	132.026685
"1643902"	466.10838	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+Na+CF3COOH"	136.98208
"1575183"	482.08232	"C12178"	"3-Epimacronine"	"C18H19NO5"	"329.1263"	"M+K+CF3COOH"	152.95602
"812113"	331.142	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M"	0
"989868"	312.12361	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-H2O-H"	-19.01839
"77172"	219.754057333333	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M-3H"	-3.021828
"518364"	330.134724	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M-3H"	-3.021828
"895386"	109.373390666667	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-3H"	-3.021828
"15613"	330.134724	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M-2H"	-2.014552
"455266"	495.705724	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M-2H"	-2.014552
"832538"	164.563724	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-2H"	-2.014552
"93624"	661.276724	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M-H"	-1.007276
"533716"	992.418724	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M-H"	-1.007276
"910746"	330.134724	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-H"	-1.007276
"58927"	678.303271	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M-2H+NH4"	16.019271
"493385"	1009.445271	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M-2H+NH4"	16.019271
"877384"	347.161271	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-2H+NH4"	16.019271
"45284"	683.258666	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M-2H+Na"	20.974666
"486225"	1014.400666	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M-2H+Na"	20.974666
"861916"	352.116666	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-2H+Na"	20.974666
"1632910"	352.116666	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Na-2H"	20.974666
"108710"	348.123063	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M-H+Cl"	33.962126
"547786"	513.694063	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M-H+Cl"	33.962126
"933039"	182.552063	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-H+Cl"	33.962126
"275968"	697.253402	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+Cl"	34.969402
"671678"	1028.395402	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+Cl"	34.969402
"1281894"	366.111402	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Cl"	34.969402
"21167"	699.232606	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M-2H+K"	36.948606
"459633"	1030.374606	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M-2H+K"	36.948606
"839623"	368.090606	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-2H+K"	36.948606
"1557644"	368.090606	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+K-2H"	36.948606
"952087"	376.140194	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-H+HCOOH"	44.998194
"371399"	707.282201	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+HCOOH-H"	44.998201
"357469"	721.297851	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+Hac-H"	59.013851
"1498647"	390.155851	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Hac-H"	59.013851
"965096"	398.122151	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-H+NaCOOH"	66.980151
"119467"	366.111402	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+2Cl"	69.938804
"557936"	531.682402	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+2Cl"	69.938804
"1024549"	200.540402	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2Cl"	69.938804
"1249596"	410.060885	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Br"	78.918885
"1318608"	412.116872	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Cl+HCOOH"	80.974872
"1334407"	434.098829	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Cl+NaCOOH"	102.956829
"922789"	444.127586	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M-H+CF3COOH"	112.985586
"1302417"	480.104264	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Cl+CF3COOH"	148.962264
"1379119"	296.129324	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H-2H2O"	-35.012676
"1389691"	314.1393	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H-H2O"	-17.0027
"290470"	663.291276	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+H"	1.007276
"682894"	994.433276	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+H"	1.007276
"1355232"	332.149276	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H"	1.007276
"137237"	332.149276	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+2H"	2.014552
"578986"	497.720276	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+2H"	2.014552
"1050336"	166.578276	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2H"	2.014552
"216048"	221.768609333333	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+3H"	3.021828
"650143"	332.149276	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+3H"	3.021828
"1174829"	111.387942666667	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+3H"	3.021828
"431542"	680.317823	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+NH4"	18.033823
"796913"	1011.459823	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+NH4"	18.033823
"1687775"	349.175823	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+NH4"	18.033823
"336056"	340.6625495	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+H+NH4"	19.041099
"729571"	506.2335495	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+H+NH4"	19.041099
"1481201"	175.0915495	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H+NH4"	19.041099
"400976"	685.273218	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+Na"	22.989218
"759785"	1016.415218	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+Na"	22.989218
"1605698"	354.131218	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Na"	22.989218
"317924"	343.140247	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+H+Na"	23.996494
"713625"	508.711247	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+H+Na"	23.996494
"1467447"	177.569247	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H+Na"	23.996494
"1058505"	118.715256666667	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2H+Na"	25.00377
"1261639"	364.175486	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+CH3OH+H"	33.033486
"379851"	701.247158	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+K"	38.963158
"742669"	1032.389158	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+K"	38.963158
"1545816"	370.105158	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+K"	38.963158
"307001"	351.127217	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+H+K"	39.970434
"695049"	516.698217	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+H+K"	39.970434
"1446804"	185.556217	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H+K"	39.970434
"236254"	704.317826	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+ACN+H"	42.033826
"1211147"	373.175826	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+ACN+H"	42.033826
"1195033"	187.091551	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+ACN+2H"	43.041102
"189848"	707.25516	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+2Na-H"	44.97116
"630262"	1038.39716	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+2Na-H"	44.97116
"1133039"	376.11316	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2Na-H"	44.97116
"175112"	354.131218	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+2Na"	45.978436
"616494"	519.702218	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+2Na"	45.978436
"1118903"	188.560218	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2Na"	45.978436
"1400972"	126.042570666667	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H+2Na"	46.985712
"1432355"	378.154746	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H+HCOOH"	47.012746
"222421"	359.16424	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+3H2O+2H"	56.04448
"1509508"	392.20679	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+IsoProp+H"	61.06479
"409077"	362.118188	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+Na+K"	61.952376
"774448"	527.689188	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+Na+K"	61.952376
"1668960"	196.547188	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Na+K"	61.952376
"256941"	726.299768	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+ACN+Na"	64.015768
"1231107"	395.157768	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+ACN+Na"	64.015768
"1720726"	395.181293	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+NH4+HCOOH"	64.039293
"1182433"	133.369884666667	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+3Na"	68.967654
"1655244"	400.136688	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Na+HCOOH"	68.994688
"157568"	739.20304	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+2K-H"	76.91904
"598508"	1070.34504	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+2K-H"	76.91904
"1089460"	408.06104	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2K-H"	76.91904
"142630"	370.105158	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"2M+2K"	77.926316
"581696"	535.676158	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"3M+2K"	77.926316
"1069373"	204.534158	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2K"	77.926316
"1100883"	410.075592	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2K+H"	78.933592
"1337028"	410.163207	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+DMSO+H"	79.021207
"1006773"	414.202376	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2ACN+H"	83.060376
"1524774"	415.196008	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+IsoProp+Na+H"	84.054008
"990737"	207.604826	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+2ACN+2H"	84.067652
"1595208"	416.110628	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+K+HCOOH"	84.968628
"1417587"	446.142138	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+H+CF3COOH"	115.000138
"1155529"	228.118101	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+3ACN+2H"	125.094202
"1705081"	463.168685	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+NH4+CF3COOH"	132.026685
"1644012"	468.12408	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+Na+CF3COOH"	136.98208
"1585134"	484.09802	"C12179"	"Tazettine;Sekisanin"	"C18H21NO5"	"331.142"	"M+K+CF3COOH"	152.95602
"815139"	273.1365	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M"	0
"987946"	254.11811	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-H2O-H"	-19.01839
"76189"	181.083724	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M-3H"	-3.021828
"517208"	272.129224	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M-3H"	-3.021828
"894643"	90.038224	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-3H"	-3.021828
"13220"	272.129224	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M-2H"	-2.014552
"453872"	408.697474	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M-2H"	-2.014552
"827300"	135.560974	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-2H"	-2.014552
"90574"	545.265724	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M-H"	-1.007276
"530136"	818.402224	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M-H"	-1.007276
"903563"	272.129224	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-H"	-1.007276
"62441"	562.292271	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M-2H+NH4"	16.019271
"499693"	835.428771	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M-2H+NH4"	16.019271
"879318"	289.155771	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-2H+NH4"	16.019271
"47079"	567.247666	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M-2H+Na"	20.974666
"486947"	840.384166	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M-2H+Na"	20.974666
"861298"	294.111166	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-2H+Na"	20.974666
"1634123"	294.111166	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Na-2H"	20.974666
"109797"	290.117563	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M-H+Cl"	33.962126
"549478"	426.685813	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M-H+Cl"	33.962126
"938616"	153.549313	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-H+Cl"	33.962126
"278995"	581.242402	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+Cl"	34.969402
"672518"	854.378902	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+Cl"	34.969402
"1285285"	308.105902	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Cl"	34.969402
"28934"	583.221606	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M-2H+K"	36.948606
"460839"	856.358106	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M-2H+K"	36.948606
"841921"	310.085106	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-2H+K"	36.948606
"1568689"	310.085106	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+K-2H"	36.948606
"953292"	318.134694	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-H+HCOOH"	44.998194
"374789"	591.271201	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+HCOOH-H"	44.998201
"361322"	605.286851	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+Hac-H"	59.013851
"1504223"	332.150351	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Hac-H"	59.013851
"973226"	340.116651	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-H+NaCOOH"	66.980151
"122858"	308.105902	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+2Cl"	69.938804
"562422"	444.674152	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+2Cl"	69.938804
"1035596"	171.537652	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2Cl"	69.938804
"1254081"	352.055385	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Br"	78.918885
"1318718"	354.111372	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Cl+HCOOH"	80.974872
"1333668"	376.093329	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Cl+NaCOOH"	102.956829
"926677"	386.122086	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M-H+CF3COOH"	112.985586
"1302533"	422.098764	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Cl+CF3COOH"	148.962264
"1380692"	238.123824	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H-2H2O"	-35.012676
"1395270"	256.1338	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H-H2O"	-17.0027
"296418"	547.280276	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+H"	1.007276
"685191"	820.416776	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+H"	1.007276
"1359351"	274.143776	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H"	1.007276
"141242"	274.143776	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+2H"	2.014552
"578004"	410.712026	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+2H"	2.014552
"1051908"	137.575526	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2H"	2.014552
"214338"	183.098276	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+3H"	3.021828
"658274"	274.143776	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+3H"	3.021828
"1177493"	92.052776	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+3H"	3.021828
"437121"	564.306823	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+NH4"	18.033823
"798118"	837.443323	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+NH4"	18.033823
"1693355"	291.170323	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+NH4"	18.033823
"341634"	282.6570495	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+H+NH4"	19.041099
"732963"	419.2252995	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+H+NH4"	19.041099
"1483500"	146.0887995	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H+NH4"	19.041099
"402180"	569.262218	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+Na"	22.989218
"765365"	842.398718	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+Na"	22.989218
"1614558"	296.125718	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Na"	22.989218
"327512"	285.134747	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+H+Na"	23.996494
"717016"	421.702997	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+H+Na"	23.996494
"1467557"	148.566497	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H+Na"	23.996494
"1057522"	99.38009	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2H+Na"	25.00377
"1264668"	306.169986	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+CH3OH+H"	33.033486
"384339"	585.236158	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+K"	38.963158
"745332"	858.372658	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+K"	38.963158
"1546656"	312.099658	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+K"	38.963158
"306018"	293.121717	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+H+K"	39.970434
"694433"	429.689967	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+H+K"	39.970434
"1449347"	156.553467	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H+K"	39.970434
"236855"	588.306826	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+ACN+H"	42.033826
"1211385"	315.170326	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+ACN+H"	42.033826
"1195269"	158.088801	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+ACN+2H"	43.041102
"191786"	591.24416	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+2Na-H"	44.97116
"630253"	864.38066	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+2Na-H"	44.97116
"1132782"	318.10766	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2Na-H"	44.97116
"174617"	296.125718	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+2Na"	45.978436
"616241"	432.693968	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+2Na"	45.978436
"1119012"	159.557468	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2Na"	45.978436
"1400232"	106.707404	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H+2Na"	46.985712
"1431377"	320.149246	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H+HCOOH"	47.012746
"229094"	301.15874	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+3H2O+2H"	56.04448
"1509865"	334.20129	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+IsoProp+H"	61.06479
"412104"	304.112688	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+Na+K"	61.952376
"770912"	440.680938	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+Na+K"	61.952376
"1670164"	167.544438	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Na+K"	61.952376
"257416"	610.288768	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+ACN+Na"	64.015768
"1233404"	337.152268	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+ACN+Na"	64.015768
"1721201"	337.175793	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+NH4+HCOOH"	64.039293
"1183273"	114.034718	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+3Na"	68.967654
"1655354"	342.131188	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Na+HCOOH"	68.994688
"164402"	623.19204	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+2K-H"	76.91904
"598742"	896.32854	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+2K-H"	76.91904
"1086290"	350.05554	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2K-H"	76.91904
"148575"	312.099658	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"2M+2K"	77.926316
"585948"	448.667908	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"3M+2K"	77.926316
"1070703"	175.531408	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2K"	77.926316
"1102577"	352.070092	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2K+H"	78.933592
"1346616"	352.157707	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+DMSO+H"	79.021207
"1012958"	356.196876	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2ACN+H"	83.060376
"1528898"	357.190508	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+IsoProp+Na+H"	84.054008
"997533"	178.602076	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+2ACN+2H"	84.067652
"1597503"	358.105128	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+K+HCOOH"	84.968628
"1420977"	388.136638	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+H+CF3COOH"	115.000138
"1155639"	199.115351	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+3ACN+2H"	125.094202
"1703004"	405.163185	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+NH4+CF3COOH"	132.026685
"1644122"	410.11858	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+Na+CF3COOH"	136.98208
"1585244"	426.09252	"C12180"	"(-)-8-Demethylmaritidine;Normaritidine"	"C16H19NO3"	"273.1365"	"M+K+CF3COOH"	152.95602
"814520"	257.1052	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M"	0
"981490"	238.08681	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-H2O-H"	-19.01839
"75203"	170.396190666667	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M-3H"	-3.021828
"515858"	256.097924	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M-3H"	-3.021828
"892567"	84.6944573333333	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-3H"	-3.021828
"10047"	256.097924	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M-2H"	-2.014552
"450699"	384.650524	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M-2H"	-2.014552
"826313"	127.545324	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-2H"	-2.014552
"90684"	513.203124	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M-H"	-1.007276
"532433"	770.308324	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M-H"	-1.007276
"904766"	256.097924	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-H"	-1.007276
"56955"	530.229671	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M-2H+NH4"	16.019271
"493242"	787.334871	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M-2H+NH4"	16.019271
"873959"	273.124471	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-2H+NH4"	16.019271
"44048"	535.185066	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M-2H+Na"	20.974666
"483242"	792.290266	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M-2H+Na"	20.974666
"861044"	278.079866	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-2H+Na"	20.974666
"1633498"	278.079866	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Na-2H"	20.974666
"106743"	274.086263	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M-H+Cl"	33.962126
"548492"	402.638863	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M-H+Cl"	33.962126
"935445"	145.533663	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-H+Cl"	33.962126
"279468"	549.179802	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+Cl"	34.969402
"668617"	806.285002	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+Cl"	34.969402
"1279925"	292.074602	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Cl"	34.969402
"20295"	551.159006	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M-2H+K"	36.948606
"456938"	808.264206	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M-2H+K"	36.948606
"835468"	294.053806	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-2H+K"	36.948606
"1565519"	294.053806	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+K-2H"	36.948606
"953402"	302.103394	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-H+HCOOH"	44.998194
"375263"	559.208601	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+HCOOH-H"	44.998201
"360936"	573.224251	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+Hac-H"	59.013851
"1505062"	316.119051	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Hac-H"	59.013851
"968593"	324.085351	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-H+NaCOOH"	66.980151
"116406"	292.074602	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+2Cl"	69.938804
"563260"	420.627202	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+2Cl"	69.938804
"1034978"	163.522002	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2Cl"	69.938804
"1253098"	336.024085	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Br"	78.918885
"1318464"	338.080072	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Cl+HCOOH"	80.974872
"1334870"	360.062029	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Cl+NaCOOH"	102.956829
"925571"	370.090786	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M-H+CF3COOH"	112.985586
"1303130"	406.067464	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Cl+CF3COOH"	148.962264
"1381530"	222.092524	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H-2H2O"	-35.012676
"1395380"	240.1025	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H-H2O"	-17.0027
"296527"	515.217676	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+H"	1.007276
"686758"	772.322876	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+H"	1.007276
"1359463"	258.112476	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H"	1.007276
"138918"	258.112476	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+2H"	2.014552
"579937"	386.665076	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+2H"	2.014552
"1051660"	129.559876	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2H"	2.014552
"219191"	172.410742666667	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+3H"	3.021828
"657655"	258.112476	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+3H"	3.021828
"1177727"	86.7090093333334	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+3H"	3.021828
"438330"	532.244223	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+NH4"	18.033823
"797865"	789.349423	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+NH4"	18.033823
"1694558"	275.139023	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+NH4"	18.033823
"339558"	266.6257495	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+H+NH4"	19.041099
"733073"	395.1783495	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+H+NH4"	19.041099
"1483610"	138.0731495	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H+NH4"	19.041099
"401197"	537.199618	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+Na"	22.989218
"765476"	794.304818	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+Na"	22.989218
"1613575"	280.094418	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Na"	22.989218
"325799"	269.103447	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+H+Na"	23.996494
"717126"	397.656047	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+H+Na"	23.996494
"1467665"	140.550847	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H+Na"	23.996494
"1056539"	94.0363233333333	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2H+Na"	25.00377
"1263686"	290.138686	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+CH3OH+H"	33.033486
"385541"	553.173558	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+K"	38.963158
"744350"	810.278758	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+K"	38.963158
"1545311"	296.068358	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+K"	38.963158
"307951"	277.090417	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+H+K"	39.970434
"697461"	405.643017	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+H+K"	39.970434
"1451280"	148.537817	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H+K"	39.970434
"237694"	556.244226	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+ACN+H"	42.033826
"1213686"	299.139026	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+ACN+H"	42.033826
"1196474"	150.073151	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+ACN+2H"	43.041102
"191896"	559.18156	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+2Na-H"	44.97116
"630363"	816.28676	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+2Na-H"	44.97116
"1134234"	302.07636	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2Na-H"	44.97116
"176429"	280.094418	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+2Na"	45.978436
"614771"	408.647018	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+2Na"	45.978436
"1119122"	151.541818	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2Na"	45.978436
"1400948"	101.363637333333	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H+2Na"	46.985712
"1431850"	304.117946	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H+HCOOH"	47.012746
"223737"	285.12744	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+3H2O+2H"	56.04448
"1509121"	318.16999	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+IsoProp+H"	61.06479
"413310"	288.081388	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+Na+K"	61.952376
"773576"	416.633988	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+Na+K"	61.952376
"1669544"	159.528788	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Na+K"	61.952376
"256433"	578.226168	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+ACN+Na"	64.015768
"1230598"	321.120968	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+ACN+Na"	64.015768
"1722404"	321.144493	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+NH4+HCOOH"	64.039293
"1183383"	108.690951333333	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+3Na"	68.967654
"1655464"	326.099888	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Na+HCOOH"	68.994688
"168886"	591.12944	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+2K-H"	76.91904
"599338"	848.23464	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+2K-H"	76.91904
"1088952"	334.02424	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2K-H"	76.91904
"149779"	296.068358	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"2M+2K"	77.926316
"590433"	424.620958	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"3M+2K"	77.926316
"1071665"	167.515758	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2K"	77.926316
"1109248"	336.038792	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2K+H"	78.933592
"1345635"	336.126407	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+DMSO+H"	79.021207
"1013069"	340.165576	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2ACN+H"	83.060376
"1525728"	341.159208	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+IsoProp+Na+H"	84.054008
"998737"	170.586426	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+2ACN+2H"	84.067652
"1597613"	342.073828	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+K+HCOOH"	84.968628
"1417808"	372.105338	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+H+CF3COOH"	115.000138
"1155749"	191.099701	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+3ACN+2H"	125.094202
"1700927"	389.131885	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+NH4+CF3COOH"	132.026685
"1643139"	394.08728	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+Na+CF3COOH"	136.98208
"1585354"	410.06122	"C12181"	"Ismine"	"C15H15NO3"	"257.1052"	"M+K+CF3COOH"	152.95602
"816092"	223.0633	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M"	0
"984880"	204.04491	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-H2O-H"	-19.01839
"77866"	147.701590666667	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M-3H"	-3.021828
"517993"	222.056024	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M-3H"	-3.021828
"894621"	73.3471573333333	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-3H"	-3.021828
"11251"	222.056024	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M-2H"	-2.014552
"451903"	333.587674	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M-2H"	-2.014552
"828609"	110.524374	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-2H"	-2.014552
"92983"	445.119324	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M-H"	-1.007276
"533397"	668.182624	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M-H"	-1.007276
"909861"	222.056024	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-H"	-1.007276
"58158"	462.145871	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M-2H+NH4"	16.019271
"495539"	685.209171	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M-2H+NH4"	16.019271
"874798"	239.082571	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-2H+NH4"	16.019271
"43793"	467.101266	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M-2H+Na"	20.974666
"484445"	690.164566	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M-2H+Na"	20.974666
"861155"	244.037966	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-2H+Na"	20.974666
"1632028"	244.037966	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Na-2H"	20.974666
"105759"	240.044363	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M-H+Cl"	33.962126
"546413"	351.576013	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M-H+Cl"	33.962126
"932275"	128.512713	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-H+Cl"	33.962126
"273018"	481.096002	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+Cl"	34.969402
"669820"	704.159302	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+Cl"	34.969402
"1280036"	258.032702	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Cl"	34.969402
"21499"	483.075206	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M-2H+K"	36.948606
"459965"	706.138506	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M-2H+K"	36.948606
"837766"	260.011906	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-2H+K"	36.948606
"1564535"	260.011906	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+K-2H"	36.948606
"954605"	268.061494	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-H+HCOOH"	44.998194
"376634"	491.124801	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+HCOOH-H"	44.998201
"361002"	505.140451	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+Hac-H"	59.013851
"1502256"	282.077151	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Hac-H"	59.013851
"967609"	290.043451	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-H+NaCOOH"	66.980151
"116515"	258.032702	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+2Cl"	69.938804
"561548"	369.564352	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+2Cl"	69.938804
"1033629"	146.501052	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2Cl"	69.938804
"1255760"	301.982185	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Br"	78.918885
"1318574"	304.038172	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Cl+HCOOH"	80.974872
"1335442"	326.020129	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Cl+NaCOOH"	102.956829
"925318"	336.048886	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M-H+CF3COOH"	112.985586
"1302390"	372.025564	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Cl+CF3COOH"	148.962264
"1381275"	188.050624	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H-2H2O"	-35.012676
"1394031"	206.0606	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H-H2O"	-17.0027
"296635"	447.133876	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+H"	1.007276
"683222"	670.197176	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+H"	1.007276
"1359572"	224.070576	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H"	1.007276
"136111"	224.070576	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+2H"	2.014552
"577494"	335.602226	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+2H"	2.014552
"1048847"	112.538926	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2H"	2.014552
"215288"	149.716142666667	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+3H"	3.021828
"655578"	224.070576	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+3H"	3.021828
"1174799"	75.3617093333333	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+3H"	3.021828
"436615"	464.160423	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+NH4"	18.033823
"794695"	687.223723	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+NH4"	18.033823
"1692851"	241.097123	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+NH4"	18.033823
"339304"	232.5838495	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+H+NH4"	19.041099
"732456"	344.1154995	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+H+NH4"	19.041099
"1485907"	121.0521995	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H+NH4"	19.041099
"403494"	469.115818	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+Na"	22.989218
"765587"	692.179118	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+Na"	22.989218
"1615873"	246.052518	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Na"	22.989218
"327369"	235.061547	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+H+Na"	23.996494
"718697"	346.593197	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+H+Na"	23.996494
"1468868"	123.529897	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H+Na"	23.996494
"1058836"	82.6890233333333	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2H+Na"	25.00377
"1261608"	256.096786	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+CH3OH+H"	33.033486
"384557"	485.089758	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+K"	38.963158
"743367"	708.153058	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+K"	38.963158
"1545422"	262.026458	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+K"	38.963158
"306968"	243.048517	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+H+K"	39.970434
"692467"	354.580167	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+H+K"	39.970434
"1448839"	131.516867	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H+K"	39.970434
"236711"	488.160426	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+ACN+H"	42.033826
"1211606"	265.097126	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+ACN+H"	42.033826
"1194396"	133.052201	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+ACN+2H"	43.041102
"190184"	491.09776	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+2Na-H"	44.97116
"632297"	714.16106	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+2Na-H"	44.97116
"1134708"	268.03446	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2Na-H"	44.97116
"175079"	246.052518	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+2Na"	45.978436
"616463"	357.584168	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+2Na"	45.978436
"1117778"	134.520868	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2Na"	45.978436
"1400209"	90.0163373333333	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H+2Na"	46.985712
"1431595"	270.076046	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H+HCOOH"	47.012746
"221414"	251.08554	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+3H2O+2H"	56.04448
"1511178"	284.12809	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+IsoProp+H"	61.06479
"411959"	254.039488	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+Na+K"	61.952376
"771131"	365.571138	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+Na+K"	61.952376
"1670383"	142.507838	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Na+K"	61.952376
"256543"	510.142368	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+ACN+Na"	64.015768
"1229978"	287.079068	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+ACN+Na"	64.015768
"1719597"	287.102593	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+NH4+HCOOH"	64.039293
"1184586"	97.3436513333333	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+3Na"	68.967654
"1656667"	292.057988	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Na+HCOOH"	68.994688
"169725"	523.04564	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+2K-H"	76.91904
"599814"	746.10894	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+2K-H"	76.91904
"1087970"	299.98234	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2K-H"	76.91904
"152076"	262.026458	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"2M+2K"	77.926316
"591637"	373.558108	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"3M+2K"	77.926316
"1069952"	150.494808	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2K"	77.926316
"1107171"	301.996892	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2K+H"	78.933592
"1346838"	302.084507	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+DMSO+H"	79.021207
"1010992"	306.123676	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2ACN+H"	83.060376
"1528024"	307.117308	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+IsoProp+Na+H"	84.054008
"1001033"	153.565476	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+2ACN+2H"	84.067652
"1596629"	308.031928	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+K+HCOOH"	84.968628
"1419011"	338.063438	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+H+CF3COOH"	115.000138
"1152579"	174.078751	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+3ACN+2H"	125.094202
"1698850"	355.089985	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+NH4+CF3COOH"	132.026685
"1637782"	360.04538	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+Na+CF3COOH"	136.98208
"1585464"	376.01932	"C12182"	"Trisphaeridine;Trispheridine"	"C14H9NO2"	"223.0633"	"M+K+CF3COOH"	152.95602
"816198"	448.1998	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M"	0
"983897"	429.18141	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-H2O-H"	-19.01839
"77608"	297.792590666667	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M-3H"	-3.021828
"517412"	447.192524	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M-3H"	-3.021828
"893755"	148.392657333333	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-3H"	-3.021828
"13546"	447.192524	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M-2H"	-2.014552
"452012"	671.292424	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M-2H"	-2.014552
"824346"	223.092624	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-2H"	-2.014552
"93215"	895.392324	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M-H"	-1.007276
"528278"	1343.592124	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M-H"	-1.007276
"909972"	447.192524	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-H"	-1.007276
"60454"	912.418871	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M-2H+NH4"	16.019271
"495648"	1360.618671	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M-2H+NH4"	16.019271
"873449"	464.219071	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-2H+NH4"	16.019271
"45360"	917.374266	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M-2H+Na"	20.974666
"484190"	1365.574066	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M-2H+Na"	20.974666
"862359"	469.174466	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-2H+Na"	20.974666
"1630073"	469.174466	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Na-2H"	20.974666
"105870"	465.180863	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M-H+Cl"	33.962126
"546162"	689.280763	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M-H+Cl"	33.962126
"932385"	241.080963	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-H+Cl"	33.962126
"273128"	931.369002	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+Cl"	34.969402
"666650"	1379.568802	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+Cl"	34.969402
"1277959"	483.169202	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Cl"	34.969402
"19422"	933.348206	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M-2H+K"	36.948606
"458982"	1381.548006	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M-2H+K"	36.948606
"834596"	485.148406	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-2H+K"	36.948606
"1558084"	485.148406	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+K-2H"	36.948606
"949247"	493.197994	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-H+HCOOH"	44.998194
"375119"	941.397801	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+HCOOH-H"	44.998201
"359004"	955.413451	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+Hac-H"	59.013851
"1504552"	507.213651	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Hac-H"	59.013851
"966626"	515.179951	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-H+NaCOOH"	66.980151
"114439"	483.169202	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+2Cl"	69.938804
"562387"	707.269102	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+2Cl"	69.938804
"1033739"	259.069302	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2Cl"	69.938804
"1255870"	527.118685	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Br"	78.918885
"1319048"	529.174672	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Cl+HCOOH"	80.974872
"1334604"	551.156629	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Cl+NaCOOH"	102.956829
"925058"	561.185386	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M-H+CF3COOH"	112.985586
"1303712"	597.162064	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Cl+CF3COOH"	148.962264
"1381021"	413.187124	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H-2H2O"	-35.012676
"1393412"	431.1971	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H-H2O"	-17.0027
"297838"	897.406876	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+H"	1.007276
"683332"	1345.606676	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+H"	1.007276
"1358588"	449.207076	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H"	1.007276
"136947"	449.207076	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+2H"	2.014552
"577603"	673.306976	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+2H"	2.014552
"1048956"	225.107176	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2H"	2.014552
"215762"	299.807142666667	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+3H"	3.021828
"653865"	449.207076	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+3H"	3.021828
"1176004"	150.407209333333	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+3H"	3.021828
"437090"	914.433423	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+NH4"	18.033823
"795534"	1362.633223	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+NH4"	18.033823
"1693321"	466.233623	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+NH4"	18.033823
"340144"	457.7203495	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+H+NH4"	19.041099
"732565"	681.8202495	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+H+NH4"	19.041099
"1484923"	233.6204495	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H+NH4"	19.041099
"402510"	919.388818	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+Na"	22.989218
"767519"	1367.588618	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+Na"	22.989218
"1617076"	471.189018	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Na"	22.989218
"328208"	460.198047	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+H+Na"	23.996494
"719534"	684.297947	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+H+Na"	23.996494
"1471894"	236.098147	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H+Na"	23.996494
"1060038"	157.734523333333	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2H+Na"	25.00377
"1266819"	481.233286	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+CH3OH+H"	33.033486
"387949"	935.362758	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+K"	38.963158
"747852"	1383.562558	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+K"	38.963158
"1547717"	487.162958	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+K"	38.963158
"307078"	468.185017	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+H+K"	39.970434
"695494"	692.284917	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+H+K"	39.970434
"1447492"	244.085117	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H+K"	39.970434
"239008"	938.433426	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+ACN+H"	42.033826
"1213540"	490.233626	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+ACN+H"	42.033826
"1195237"	245.620451	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+ACN+2H"	43.041102
"192846"	941.37076	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+2Na-H"	44.97116
"633500"	1389.57056	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+2Na-H"	44.97116
"1137005"	493.17096	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2Na-H"	44.97116
"175553"	471.189018	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+2Na"	45.978436
"615477"	695.288918	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+2Na"	45.978436
"1117523"	247.089118	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2Na"	45.978436
"1399590"	165.061837333333	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H+2Na"	46.985712
"1431343"	495.212546	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H+HCOOH"	47.012746
"222863"	476.22204	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+3H2O+2H"	56.04448
"1509100"	509.26459	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+IsoProp+H"	61.06479
"409151"	479.175988	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+Na+K"	61.952376
"770876"	703.275888	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+Na+K"	61.952376
"1670126"	255.076088	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Na+K"	61.952376
"259932"	960.415368	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+ACN+Na"	64.015768
"1229724"	512.215568	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+ACN+Na"	64.015768
"1718247"	512.239093	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+NH4+HCOOH"	64.039293
"1182509"	172.389151333333	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+3Na"	68.967654
"1655684"	517.194488	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Na+HCOOH"	68.994688
"164732"	973.31864	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+2K-H"	76.91904
"601017"	1421.51844	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+2K-H"	76.91904
"1085529"	525.11884	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2K-H"	76.91904
"148906"	487.162958	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"2M+2K"	77.926316
"591747"	711.262858	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"3M+2K"	77.926316
"1070792"	263.063058	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2K"	77.926316
"1106188"	527.133392	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2K+H"	78.933592
"1346949"	527.221007	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+DMSO+H"	79.021207
"1011102"	531.260176	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2ACN+H"	83.060376
"1528134"	532.253808	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+IsoProp+Na+H"	84.054008
"1001143"	266.133726	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+2ACN+2H"	84.067652
"1596739"	533.168428	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+K+HCOOH"	84.968628
"1419120"	563.199938	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+H+CF3COOH"	115.000138
"1152689"	286.647001	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+3ACN+2H"	125.094202
"1698960"	580.226485	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+NH4+CF3COOH"	132.026685
"1637892"	585.18188	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+Na+CF3COOH"	136.98208
"1585574"	601.15582	"C12183"	"Obliquine"	"C26H28N2O5"	"448.1998"	"M+K+CF3COOH"	152.95602
"816672"	333.1576	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M"	0
"984007"	314.13921	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-H2O-H"	-19.01839
"77718"	221.097790666667	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M-3H"	-3.021828
"515091"	332.150324	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M-3H"	-3.021828
"890705"	110.045257333333	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-3H"	-3.021828
"11467"	332.150324	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M-2H"	-2.014552
"454066"	498.729124	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M-2H"	-2.014552
"826642"	165.571524	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-2H"	-2.014552
"91742"	665.307924	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M-H"	-1.007276
"534127"	998.465524	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M-H"	-1.007276
"911096"	332.150324	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-H"	-1.007276
"62269"	682.334471	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M-2H+NH4"	16.019271
"501959"	1015.492071	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M-2H+NH4"	16.019271
"877944"	349.176871	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-2H+NH4"	16.019271
"46567"	687.289866	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M-2H+Na"	20.974666
"486854"	1020.447466	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M-2H+Na"	20.974666
"863563"	354.132266	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-2H+Na"	20.974666
"1632492"	354.132266	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Na-2H"	20.974666
"108654"	350.138663	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M-H+Cl"	33.962126
"548946"	516.717463	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M-H+Cl"	33.962126
"935775"	183.559863	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-H+Cl"	33.962126
"276518"	701.284602	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+Cl"	34.969402
"673320"	1034.442202	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+Cl"	34.969402
"1286452"	368.127002	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Cl"	34.969402
"26095"	703.263806	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M-2H+K"	36.948606
"468933"	1036.421406	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M-2H+K"	36.948606
"842360"	370.106206	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-2H+K"	36.948606
"1563661"	370.106206	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+K-2H"	36.948606
"951544"	378.155794	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-H+HCOOH"	44.998194
"371946"	711.313401	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+HCOOH-H"	44.998201
"360979"	725.329051	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+Hac-H"	59.013851
"1505392"	392.171451	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Hac-H"	59.013851
"967829"	400.137751	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-H+NaCOOH"	66.980151
"114549"	368.127002	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+2Cl"	69.938804
"559579"	534.705802	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+2Cl"	69.938804
"1036280"	201.548202	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2Cl"	69.938804
"1256711"	412.076485	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Br"	78.918885
"1319872"	414.132472	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Cl+HCOOH"	80.974872
"1335572"	436.114429	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Cl+NaCOOH"	102.956829
"925902"	446.143186	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M-H+CF3COOH"	112.985586
"1303219"	482.119864	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Cl+CF3COOH"	148.962264
"1377119"	298.144924	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H-2H2O"	-35.012676
"1396074"	316.1549	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H-H2O"	-17.0027
"297220"	667.322476	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+H"	1.007276
"680161"	1000.480076	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+H"	1.007276
"1363799"	334.164876	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H"	1.007276
"132681"	334.164876	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+2H"	2.014552
"577348"	500.743676	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+2H"	2.014552
"1050523"	167.586076	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2H"	2.014552
"215509"	223.112342666667	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+3H"	3.021828
"656164"	334.164876	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+3H"	3.021828
"1176842"	112.059809333333	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+3H"	3.021828
"438657"	684.349023	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+NH4"	18.033823
"797466"	1017.506623	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+NH4"	18.033823
"1694888"	351.191423	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+NH4"	18.033823
"339886"	342.6781495	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+H+NH4"	19.041099
"735223"	509.2569495	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+H+NH4"	19.041099
"1479201"	176.0993495	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H+NH4"	19.041099
"400433"	689.304418	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+Na"	22.989218
"764710"	1022.462018	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+Na"	22.989218
"1617186"	356.146818	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Na"	22.989218
"327587"	345.155847	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+H+Na"	23.996494
"718550"	511.734647	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+H+Na"	23.996494
"1470182"	178.577047	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H+Na"	23.996494
"1059056"	119.387123333333	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2H+Na"	25.00377
"1265108"	366.191086	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+CH3OH+H"	33.033486
"386964"	705.278358	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+K"	38.963158
"745773"	1038.435958	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+K"	38.963158
"1551106"	372.120758	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+K"	38.963158
"307188"	353.142817	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+H+K"	39.970434
"698519"	519.721617	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+H+K"	39.970434
"1452340"	186.564017	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H+K"	39.970434
"240942"	708.349026	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+ACN+H"	42.033826
"1212556"	375.191426	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+ACN+H"	42.033826
"1200815"	188.099351	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+ACN+2H"	43.041102
"193686"	711.28636	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+2Na-H"	44.97116
"631423"	1044.44396	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+2Na-H"	44.97116
"1136751"	378.12876	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2Na-H"	44.97116
"175665"	356.146818	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+2Na"	45.978436
"616316"	522.725618	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+2Na"	45.978436
"1120189"	189.568018	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2Na"	45.978436
"1402617"	126.714437333333	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H+2Na"	46.985712
"1432183"	380.170346	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H+HCOOH"	47.012746
"220906"	361.17984	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+3H2O+2H"	56.04448
"1509331"	394.22239	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+IsoProp+H"	61.06479
"411452"	364.133788	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+Na+K"	61.952376
"773906"	530.712588	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+Na+K"	61.952376
"1668416"	197.554988	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Na+K"	61.952376
"261135"	730.330968	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+ACN+Na"	64.015768
"1229470"	397.173368	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+ACN+Na"	64.015768
"1718356"	397.196893	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+NH4+HCOOH"	64.039293
"1184806"	134.041751333333	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+3Na"	68.967654
"1655794"	402.152288	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Na+HCOOH"	68.994688
"164842"	743.23424	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+2K-H"	76.91904
"602222"	1076.39184	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+2K-H"	76.91904
"1086733"	410.07664	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2K-H"	76.91904
"152296"	372.120758	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"2M+2K"	77.926316
"594044"	538.699558	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"3M+2K"	77.926316
"1075276"	205.541958	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2K"	77.926316
"1109580"	412.091192	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2K+H"	78.933592
"1349245"	412.178807	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+DMSO+H"	79.021207
"1013399"	416.217976	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2ACN+H"	83.060376
"1529339"	417.211608	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+IsoProp+Na+H"	84.054008
"1001253"	208.612626	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+2ACN+2H"	84.067652
"1596849"	418.126228	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+K+HCOOH"	84.968628
"1422511"	448.157738	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+H+CF3COOH"	115.000138
"1156079"	229.125901	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+3ACN+2H"	125.094202
"1700163"	465.184285	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+NH4+CF3COOH"	132.026685
"1638002"	470.13968	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+Na+CF3COOH"	136.98208
"1585684"	486.11362	"C12184"	"Narcissidine"	"C18H23NO5"	"333.1576"	"M+K+CF3COOH"	152.95602
"814959"	287.1158	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M"	0
"983023"	268.09741	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"75642"	190.403257333333	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"515201"	286.108524	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"889722"	94.6979906666667	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"10484"	286.108524	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"451138"	429.666424	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"826752"	142.550624	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"93188"	573.224324	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"530684"	860.340124	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"910188"	286.108524	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"61525"	590.250871	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"502194"	877.366671	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"879024"	303.135071	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"46559"	595.206266	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"487068"	882.322066	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"863669"	308.090466	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1634102"	308.090466	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"109859"	304.096863	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"549511"	447.654763	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"939166"	160.538963	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"282697"	609.201002	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"667964"	896.316802	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1282554"	322.085202	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"27296"	611.180206	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"460295"	898.296006	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"845021"	324.064406	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1562676"	324.064406	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"949466"	332.113994	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"376949"	619.229801	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"360439"	633.245451	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1504772"	346.129651	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"967939"	354.095951	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"113930"	322.085202	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"559689"	465.643102	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1036797"	178.527302	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1256458"	366.034685	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1319887"	368.090672	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1335360"	390.072629	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"925282"	400.101386	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1303446"	436.078064	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1380878"	252.103124	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1395092"	270.1131	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"296965"	575.238876	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"683552"	862.354676	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1363909"	288.123076	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"131698"	288.123076	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"573445"	431.680976	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1049540"	144.565176	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"217441"	192.417809333333	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"655909"	288.123076	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1177199"	96.7125426666667	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"436215"	592.265423	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"799642"	879.381223	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1692813"	305.149623	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"343277"	296.6363495	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"733512"	440.1942495	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1481863"	153.0784495	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"404916"	597.220818	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"764821"	884.336618	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1618316"	310.105018	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"322957"	299.114047	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"721819"	442.671947	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1471388"	155.556147	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1060256"	104.039856666667	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1266311"	320.149286	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"388168"	613.194758	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"749165"	900.310558	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1553772"	326.078958	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"307301"	307.101017	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"699723"	450.658917	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1453544"	163.543117	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"244331"	616.265426	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1213760"	329.149626	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1203112"	165.078451	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"194890"	619.20276	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"635543"	906.31856	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1139048"	332.08696	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"178326"	310.105018	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"617522"	453.662918	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1118474"	166.547118	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1401276"	111.367170666667	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1432296"	334.128546	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"223085"	315.13804	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1511146"	348.18059	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"410104"	318.091988	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"773652"	461.649888	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1669257"	174.534088	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"260153"	638.247368	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1233955"	351.131568	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1720656"	351.155093	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1186010"	118.694484666667	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1655904"	356.110488	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"167138"	651.15064	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"607798"	938.26644	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1098870"	364.03484	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"152406"	326.078958	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"589779"	469.636858	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1076478"	182.521058	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1112968"	366.049392	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1348139"	366.137007	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1015696"	370.176176	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1532729"	371.169808	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"999176"	185.591726	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1596959"	372.084428	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1419339"	402.115938	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1156189"	206.105001	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1701367"	419.142485	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1638111"	424.09788	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1585794"	440.07182	"C12185"	"Nangustine"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"813977"	287.1158	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M"	0
"980946"	268.09741	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"75752"	190.403257333333	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"515311"	286.108524	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"887645"	94.6979906666667	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"11687"	286.108524	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"452341"	429.666424	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"826862"	142.550624	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"91232"	573.224324	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"526419"	860.340124	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"907501"	286.108524	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"60662"	590.250871	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"502546"	877.366671	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"879544"	303.135071	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"47041"	595.206266	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"486916"	882.322066	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"863051"	308.090466	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1633889"	308.090466	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"109880"	304.096863	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"549051"	447.654763	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"941100"	160.538963	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"282087"	609.201002	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"668074"	896.316802	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1280478"	322.085202	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"21939"	611.180206	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"465873"	898.296006	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"845497"	324.064406	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1563879"	324.064406	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"953585"	332.113994	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"371073"	619.229801	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"356780"	633.245451	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1503426"	346.129651	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"970603"	354.095951	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"115863"	322.085202	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"563810"	465.643102	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1037028"	178.527302	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1256899"	366.034685	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1319832"	368.090672	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1335348"	390.072629	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"926482"	400.101386	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1303883"	436.078064	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1379163"	252.103124	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1395931"	270.1131	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"297440"	575.238876	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"684755"	862.354676	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1361105"	288.123076	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"135089"	288.123076	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"576109"	431.680976	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1045636"	144.565176	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"217187"	192.417809333333	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"654926"	288.123076	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1175240"	96.7125426666667	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"435961"	592.265423	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"800846"	879.381223	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1695112"	305.149623	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"340107"	296.6363495	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"735810"	440.1942495	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1486347"	153.0784495	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"403934"	597.220818	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"762744"	884.336618	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1617892"	310.105018	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"323067"	299.114047	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"721929"	442.671947	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1470404"	155.556147	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1058180"	104.039856666667	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1265328"	320.149286	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"386091"	613.194758	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"747087"	900.310558	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1551328"	326.078958	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"308501"	307.101017	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"700926"	450.658917	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1454748"	163.543117	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"241162"	616.265426	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1213871"	329.149626	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1196660"	165.078451	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"189894"	619.20276	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"630913"	906.31856	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1140250"	332.08696	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"177344"	310.105018	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"616904"	453.662918	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1118584"	166.547118	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1400649"	111.367170666667	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1430945"	334.128546	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"220761"	315.13804	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1509797"	348.18059	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"409849"	318.091988	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"775221"	461.649888	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1669367"	174.534088	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"260263"	638.247368	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1234065"	351.131568	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1722952"	351.155093	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1188306"	118.694484666667	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1658201"	356.110488	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"166156"	651.15064	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"611189"	938.26644	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1098980"	364.03484	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"152516"	326.078958	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"588796"	469.636858	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1077681"	182.521058	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1113078"	366.049392	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1347277"	366.137007	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1015806"	370.176176	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1532839"	371.169808	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"999286"	185.591726	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1599255"	372.084428	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1424915"	402.115938	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1155206"	206.105001	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1701477"	419.142485	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1641501"	424.09788	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1585904"	440.07182	"C12186"	"Pancracine"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"815180"	289.1314	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M"	0
"982150"	270.11301	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-H2O-H"	-19.01839
"77443"	191.746990666667	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M-3H"	-3.021828
"515421"	288.124124	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M-3H"	-3.021828
"889942"	95.3698573333333	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-3H"	-3.021828
"11797"	288.124124	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M-2H"	-2.014552
"452451"	432.689824	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M-2H"	-2.014552
"826972"	143.558424	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-2H"	-2.014552
"92193"	577.255524	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M-H"	-1.007276
"532360"	866.386924	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M-H"	-1.007276
"908219"	288.124124	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-H"	-1.007276
"60286"	594.282071	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M-2H+NH4"	16.019271
"501680"	883.413471	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M-2H+NH4"	16.019271
"878995"	305.150671	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-2H+NH4"	16.019271
"45797"	599.237466	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M-2H+Na"	20.974666
"485724"	888.368866	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M-2H+Na"	20.974666
"863526"	310.106066	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-2H+Na"	20.974666
"1632695"	310.106066	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Na-2H"	20.974666
"104120"	306.112463	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M-H+Cl"	33.962126
"549525"	450.678163	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M-H+Cl"	33.962126
"941573"	161.546763	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-H+Cl"	33.962126
"281953"	613.232202	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+Cl"	34.969402
"668183"	902.363602	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+Cl"	34.969402
"1279494"	324.100802	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Cl"	34.969402
"24236"	615.211406	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M-2H+K"	36.948606
"465983"	904.342806	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M-2H+K"	36.948606
"839410"	326.080006	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-2H+K"	36.948606
"1565082"	326.080006	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+K-2H"	36.948606
"950781"	334.129594	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-H+HCOOH"	44.998194
"373007"	623.261001	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+HCOOH-H"	44.998201
"353974"	637.276651	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+Hac-H"	59.013851
"1503536"	348.145251	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Hac-H"	59.013851
"971078"	356.111551	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-H+NaCOOH"	66.980151
"117067"	324.100802	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+2Cl"	69.938804
"564771"	468.666502	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+2Cl"	69.938804
"1036373"	179.535102	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2Cl"	69.938804
"1256553"	368.050285	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Br"	78.918885
"1317298"	370.106272	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Cl+HCOOH"	80.974872
"1335460"	392.088229	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Cl+NaCOOH"	102.956829
"926472"	402.116986	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M-H+CF3COOH"	112.985586
"1303788"	438.093664	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Cl+CF3COOH"	148.962264
"1380366"	254.118724	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H-2H2O"	-35.012676
"1396408"	272.1287	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H-H2O"	-17.0027
"296093"	579.270076	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+H"	1.007276
"684865"	868.401476	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+H"	1.007276
"1363403"	290.138676	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H"	1.007276
"135199"	290.138676	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+2H"	2.014552
"576219"	434.704376	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+2H"	2.014552
"1045746"	145.572976	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2H"	2.014552
"217661"	193.761542666667	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+3H"	3.021828
"652121"	290.138676	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+3H"	3.021828
"1176079"	97.3844093333333	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+3H"	3.021828
"436435"	596.296623	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+NH4"	18.033823
"800349"	885.428023	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+NH4"	18.033823
"1694129"	307.165223	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+NH4"	18.033823
"340217"	298.6519495	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+H+NH4"	19.041099
"734827"	443.2176495	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+H+NH4"	19.041099
"1484270"	154.0862495	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H+NH4"	19.041099
"401855"	601.252018	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+Na"	22.989218
"765041"	890.383418	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+Na"	22.989218
"1616422"	312.120618	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Na"	22.989218
"322084"	301.129647	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+H+Na"	23.996494
"720704"	445.695347	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+H+Na"	23.996494
"1471608"	156.563947	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H+Na"	23.996494
"1058291"	104.711723333333	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2H+Na"	25.00377
"1264345"	322.164886	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+CH3OH+H"	33.033486
"387294"	617.225958	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+K"	38.963158
"745010"	906.357358	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+K"	38.963158
"1550344"	328.094558	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+K"	38.963158
"306425"	309.116617	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+H+K"	39.970434
"699942"	453.682317	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+H+K"	39.970434
"1457045"	164.550917	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H+K"	39.970434
"242366"	620.296626	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+ACN+H"	42.033826
"1211065"	331.165226	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+ACN+H"	42.033826
"1197864"	166.086251	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+ACN+2H"	43.041102
"192921"	623.23396	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+2Na-H"	44.97116
"632480"	912.36536	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+2Na-H"	44.97116
"1138172"	334.10256	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2Na-H"	44.97116
"179275"	312.120618	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+2Na"	45.978436
"615917"	456.686318	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+2Na"	45.978436
"1118332"	167.554918	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2Na"	45.978436
"1403680"	112.039037333333	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H+2Na"	46.985712
"1431784"	336.144146	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H+HCOOH"	47.012746
"220137"	317.15364	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+3H2O+2H"	56.04448
"1508569"	350.19619	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+IsoProp+H"	61.06479
"408560"	320.107588	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+Na+K"	61.952376
"772415"	464.673288	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+Na+K"	61.952376
"1671664"	175.541888	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Na+K"	61.952376
"259280"	642.278568	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+ACN+Na"	64.015768
"1233082"	353.147168	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+ACN+Na"	64.015768
"1721969"	353.170693	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+NH4+HCOOH"	64.039293
"1186230"	119.366351333333	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+3Na"	68.967654
"1656125"	358.126088	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Na+HCOOH"	68.994688
"168453"	655.18184	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+2K-H"	76.91904
"612029"	944.31324	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+2K-H"	76.91904
"1098969"	366.05044	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2K-H"	76.91904
"152626"	328.094558	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"2M+2K"	77.926316
"589999"	472.660258	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"3M+2K"	77.926316
"1076698"	183.528858	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2K"	77.926316
"1109908"	368.064992	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2K+H"	78.933592
"1347388"	368.152607	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+DMSO+H"	79.021207
"1017009"	372.191776	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2ACN+H"	83.060376
"1532948"	373.185408	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+IsoProp+Na+H"	84.054008
"996116"	186.599526	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+2ACN+2H"	84.067652
"1600095"	374.100028	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+K+HCOOH"	84.968628
"1427212"	404.131538	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+H+CF3COOH"	115.000138
"1154221"	207.112801	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+3ACN+2H"	125.094202
"1703774"	421.158085	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+NH4+CF3COOH"	132.026685
"1641611"	426.11348	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+Na+CF3COOH"	136.98208
"1586014"	442.08742	"C12187"	"Pseudolycorine;312-Didehydro-9-methoxygalanthan-1alpha2beta10-triol"	"C16H19NO4"	"289.1314"	"M+K+CF3COOH"	152.95602
"814197"	266.1181	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M"	0
"980073"	247.09971	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-H2O-H"	-19.01839
"74879"	176.404790666667	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M-3H"	-3.021828
"514438"	265.110824	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M-3H"	-3.021828
"888959"	87.6987573333333	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-3H"	-3.021828
"8627"	265.110824	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M-2H"	-2.014552
"446000"	398.169874	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M-2H"	-2.014552
"827082"	132.051774	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-2H"	-2.014552
"89262"	531.228924	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M-H"	-1.007276
"531011"	797.347024	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M-H"	-1.007276
"907357"	265.110824	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-H"	-1.007276
"56629"	548.255471	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M-2H+NH4"	16.019271
"502521"	814.373571	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M-2H+NH4"	16.019271
"878131"	282.137371	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-2H+NH4"	16.019271
"44084"	553.210866	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M-2H+Na"	20.974666
"484618"	819.328966	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M-2H+Na"	20.974666
"862786"	287.092766	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-2H+Na"	20.974666
"1632805"	287.092766	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Na-2H"	20.974666
"103137"	283.099163	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M-H+Cl"	33.962126
"548418"	416.158213	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M-H+Cl"	33.962126
"940590"	150.040113	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-H+Cl"	33.962126
"281942"	567.205602	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+Cl"	34.969402
"669387"	833.323702	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+Cl"	34.969402
"1282884"	301.087502	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Cl"	34.969402
"23252"	569.184806	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M-2H+K"	36.948606
"462813"	835.302906	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M-2H+K"	36.948606
"840613"	303.066706	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-2H+K"	36.948606
"1565192"	303.066706	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+K-2H"	36.948606
"951983"	311.116294	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-H+HCOOH"	44.998194
"372753"	577.234401	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+HCOOH-H"	44.998201
"354084"	591.250051	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+Hac-H"	59.013851
"1503646"	325.131951	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Hac-H"	59.013851
"971188"	333.098251	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-H+NaCOOH"	66.980151
"117177"	301.087502	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+2Cl"	69.938804
"564030"	434.146552	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+2Cl"	69.938804
"1036362"	168.028452	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2Cl"	69.938804
"1255328"	345.036985	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Br"	78.918885
"1317408"	347.092972	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Cl+HCOOH"	80.974872
"1335324"	369.074929	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Cl+NaCOOH"	102.956829
"926462"	379.103686	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M-H+CF3COOH"	112.985586
"1303903"	415.080364	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Cl+CF3COOH"	148.962264
"1377560"	231.105424	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H-2H2O"	-35.012676
"1396517"	249.1154	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H-H2O"	-17.0027
"294745"	533.243476	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+H"	1.007276
"686069"	799.361576	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+H"	1.007276
"1363877"	267.125376	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H"	1.007276
"138222"	267.125376	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+2H"	2.014552
"579605"	400.184426	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+2H"	2.014552
"1050593"	134.066326	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2H"	2.014552
"213754"	178.419342666667	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+3H"	3.021828
"655507"	267.125376	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+3H"	3.021828
"1175092"	89.7133093333334	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+3H"	3.021828
"438368"	550.270023	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+NH4"	18.033823
"800457"	816.388123	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+NH4"	18.033823
"1689861"	284.151923	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+NH4"	18.033823
"341055"	275.6386495	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+H+NH4"	19.041099
"732747"	408.6976995	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+H+NH4"	19.041099
"1485473"	142.5795995	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H+NH4"	19.041099
"396498"	555.225418	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+Na"	22.989218
"765150"	821.343518	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+Na"	22.989218
"1614344"	289.107318	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Na"	22.989218
"322194"	278.116347	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+H+Na"	23.996494
"721544"	411.175397	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+H+Na"	23.996494
"1473905"	145.057297	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H+Na"	23.996494
"1057308"	97.0406233333333	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2H+Na"	25.00377
"1264455"	299.151586	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+CH3OH+H"	33.033486
"387405"	571.199358	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+K"	38.963158
"745121"	837.317458	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+K"	38.963158
"1548266"	305.081258	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+K"	38.963158
"303618"	286.103317	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+H+K"	39.970434
"700052"	419.162367	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+H+K"	39.970434
"1454968"	153.044267	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H+K"	39.970434
"244663"	574.270026	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+ACN+H"	42.033826
"1214091"	308.151926	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+ACN+H"	42.033826
"1197243"	154.579601	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+ACN+2H"	43.041102
"190841"	577.20736	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+2Na-H"	44.97116
"632224"	843.32546	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+2Na-H"	44.97116
"1135000"	311.08926	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2Na-H"	44.97116
"178290"	289.107318	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+2Na"	45.978436
"615663"	422.166368	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+2Na"	45.978436
"1119170"	156.048268	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2Na"	45.978436
"1403790"	104.367937333333	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H+2Na"	46.985712
"1432258"	313.130846	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H+HCOOH"	47.012746
"220491"	294.14034	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+3H2O+2H"	56.04448
"1509650"	327.18289	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+IsoProp+H"	61.06479
"409215"	297.094288	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+Na+K"	61.952376
"772889"	430.153338	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+Na+K"	61.952376
"1668126"	164.035238	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Na+K"	61.952376
"256110"	596.251968	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+ACN+Na"	64.015768
"1229910"	330.133868	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+ACN+Na"	64.015768
"1716611"	330.157393	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+NH4+HCOOH"	64.039293
"1181964"	111.695251333333	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+3Na"	68.967654
"1656599"	335.112788	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Na+HCOOH"	68.994688
"165283"	609.15524	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+2K-H"	76.91904
"607030"	875.27334	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+2K-H"	76.91904
"1094824"	343.03714	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2K-H"	76.91904
"148362"	305.081258	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"2M+2K"	77.926316
"586826"	438.140308	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"3M+2K"	77.926316
"1074621"	172.022208	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2K"	77.926316
"1107831"	345.051692	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2K+H"	78.933592
"1345311"	345.139307	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+DMSO+H"	79.021207
"1016026"	349.178476	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2ACN+H"	83.060376
"1531964"	350.172108	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+IsoProp+Na+H"	84.054008
"992945"	175.092876	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+2ACN+2H"	84.067652
"1599476"	351.086728	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+K+HCOOH"	84.968628
"1426229"	381.118238	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+H+CF3COOH"	115.000138
"1154330"	195.606151	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+3ACN+2H"	125.094202
"1700604"	398.144785	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+NH4+CF3COOH"	132.026685
"1641721"	403.10018	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+Na+CF3COOH"	136.98208
"1586124"	419.07412	"C12188"	"Vasconine"	"C17H16NO2"	"266.1181"	"M+K+CF3COOH"	152.95602
"816495"	266.0817	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M"	0
"985656"	247.06331	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-H2O-H"	-19.01839
"77905"	176.380524	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M-3H"	-3.021828
"518346"	265.074424	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M-3H"	-3.021828
"890162"	87.686624	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-3H"	-3.021828
"14205"	265.074424	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M-2H"	-2.014552
"455388"	398.115274	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M-2H"	-2.014552
"830473"	132.033574	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-2H"	-2.014552
"93996"	531.156124	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M-H"	-1.007276
"533917"	797.237824	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M-H"	-1.007276
"910868"	265.074424	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-H"	-1.007276
"53459"	548.182671	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M-2H+NH4"	16.019271
"499469"	814.264371	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M-2H+NH4"	16.019271
"878366"	282.100971	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-2H+NH4"	16.019271
"45174"	553.138066	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M-2H+Na"	20.974666
"486070"	819.219766	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M-2H+Na"	20.974666
"858276"	287.056366	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-2H+Na"	20.974666
"1633404"	287.056366	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Na-2H"	20.974666
"108352"	283.062763	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M-H+Cl"	33.962126
"548403"	416.103613	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M-H+Cl"	33.962126
"938515"	150.021913	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-H+Cl"	33.962126
"274884"	567.132802	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+Cl"	34.969402
"669497"	833.214502	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+Cl"	34.969402
"1282994"	301.051102	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Cl"	34.969402
"23362"	569.112006	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M-2H+K"	36.948606
"466203"	835.193706	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M-2H+K"	36.948606
"839629"	303.030306	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-2H+K"	36.948606
"1558743"	303.030306	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+K-2H"	36.948606
"952095"	311.079894	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-H+HCOOH"	44.998194
"374320"	577.161601	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+HCOOH-H"	44.998201
"353100"	591.177251	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+Hac-H"	59.013851
"1506190"	325.095551	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Hac-H"	59.013851
"966193"	333.061851	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-H+NaCOOH"	66.980151
"115100"	301.051102	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+2Cl"	69.938804
"564140"	434.091952	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+2Cl"	69.938804
"1036475"	168.010252	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2Cl"	69.938804
"1255074"	345.000585	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Br"	78.918885
"1319113"	347.056572	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Cl+HCOOH"	80.974872
"1334784"	369.038529	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Cl+NaCOOH"	102.956829
"926697"	379.067286	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M-H+CF3COOH"	112.985586
"1303768"	415.043964	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Cl+CF3COOH"	148.962264
"1381931"	231.069024	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H-2H2O"	-35.012676
"1396141"	249.079	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H-H2O"	-17.0027
"295586"	533.170676	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+H"	1.007276
"685087"	799.252376	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+H"	1.007276
"1362895"	267.088976	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H"	1.007276
"139793"	267.088976	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+2H"	2.014552
"578989"	400.129826	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+2H"	2.014552
"1047058"	134.048126	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2H"	2.014552
"217145"	178.395076	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+3H"	3.021828
"654521"	267.088976	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+3H"	3.021828
"1173740"	89.701176	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+3H"	3.021828
"435921"	550.197223	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+NH4"	18.033823
"796918"	816.278923	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+NH4"	18.033823
"1692155"	284.115523	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+NH4"	18.033823
"339342"	275.6022495	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+H+NH4"	19.041099
"733950"	408.6430995	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+H+NH4"	19.041099
"1486678"	142.5613995	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H+NH4"	19.041099
"398796"	555.152618	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+Na"	22.989218
"764168"	821.234318	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+Na"	22.989218
"1614455"	289.070918	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Na"	22.989218
"328139"	278.079947	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+H+Na"	23.996494
"721775"	411.120797	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+H+Na"	23.996494
"1475109"	145.039097	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H+Na"	23.996494
"1061792"	97.02849	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2H+Na"	25.00377
"1266753"	299.115186	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+CH3OH+H"	33.033486
"385329"	571.126558	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+K"	38.963158
"744137"	837.208258	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+K"	38.963158
"1545094"	305.044858	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+K"	38.963158
"306647"	286.066917	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+H+K"	39.970434
"699069"	419.107767	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+H+K"	39.970434
"1456901"	153.026067	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H+K"	39.970434
"249146"	574.197226	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+ACN+H"	42.033826
"1218575"	308.115526	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+ACN+H"	42.033826
"1200271"	154.561401	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+ACN+2H"	43.041102
"192774"	577.13456	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+2Na-H"	44.97116
"634522"	843.21626	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+2Na-H"	44.97116
"1135475"	311.05286	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2Na-H"	44.97116
"175484"	289.070918	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+2Na"	45.978436
"619057"	422.111768	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+2Na"	45.978436
"1120376"	156.030068	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2Na"	45.978436
"1403901"	104.355804	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H+2Na"	46.985712
"1438932"	313.094446	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H+HCOOH"	47.012746
"220967"	294.10394	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+3H2O+2H"	56.04448
"1510127"	327.14649	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+IsoProp+H"	61.06479
"411276"	297.057888	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+Na+K"	61.952376
"778833"	430.098738	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+Na+K"	61.952376
"1670059"	164.017038	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Na+K"	61.952376
"259500"	596.179168	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+ACN+Na"	64.015768
"1234399"	330.097468	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+ACN+Na"	64.015768
"1722190"	330.120993	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+NH4+HCOOH"	64.039293
"1186452"	111.683118	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+3Na"	68.967654
"1665300"	335.076388	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Na+HCOOH"	68.994688
"172654"	609.08244	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+2K-H"	76.91904
"612253"	875.16414	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+2K-H"	76.91904
"1099439"	343.00074	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2K-H"	76.91904
"150659"	305.044858	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"2M+2K"	77.926316
"590219"	438.085708	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"3M+2K"	77.926316
"1079105"	172.004008	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2K"	77.926316
"1110128"	345.015292	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2K+H"	78.933592
"1346514"	345.102907	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+DMSO+H"	79.021207
"1015042"	349.142076	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2ACN+H"	83.060376
"1534262"	350.135708	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+IsoProp+Na+H"	84.054008
"999616"	175.074676	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+2ACN+2H"	84.067652
"1595213"	351.050328	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+K+HCOOH"	84.968628
"1424154"	381.081838	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+H+CF3COOH"	115.000138
"1152254"	195.587951	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+3ACN+2H"	125.094202
"1703994"	398.108385	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+NH4+CF3COOH"	132.026685
"1645114"	403.06378	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+Na+CF3COOH"	136.98208
"1586234"	419.03772	"C12189"	"Ungeremine"	"C16H12NO3"	"266.0817"	"M+K+CF3COOH"	152.95602
"816240"	301.1314	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M"	0
"989710"	282.11301	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"78562"	199.746990666667	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"518524"	300.124124	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"892459"	99.3698573333333	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"8847"	300.124124	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"455456"	450.689824	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"830583"	149.558424	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"93902"	601.255524	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"531230"	902.386924	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"910737"	300.124124	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"61221"	618.282071	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"500793"	919.413471	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"877868"	317.150671	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"46746"	623.237466	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"486991"	924.368866	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"860572"	322.106066	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1633389"	322.106066	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"109598"	318.112463	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"549203"	468.678163	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"939720"	167.546763	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"276087"	637.232202	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"668512"	938.363602	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1277635"	336.100802	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"24565"	639.211406	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"466313"	940.342806	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"839739"	338.080006	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1556666"	338.080006	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"951110"	346.129594	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"367139"	647.261001	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"353210"	661.276651	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1506786"	360.145251	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"966303"	368.111551	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"115210"	336.100802	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"563523"	486.666502	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1036340"	185.535102	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1254457"	380.050285	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1319221"	382.106272	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1334895"	404.088229	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"926682"	414.116986	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1302780"	450.093664	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1382408"	266.118724	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1393821"	284.1287	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"297153"	603.270076	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"684105"	904.401476	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1363369"	302.138676	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"138810"	302.138676	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"576547"	452.704376	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1046075"	151.572976	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"216527"	201.761542666667	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"654631"	302.138676	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1173850"	101.384409333333	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"436031"	620.296623	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"796664"	921.428023	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1692265"	319.165223	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"340181"	310.6519495	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"734789"	461.2176495	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1482414"	160.0862495	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"394166"	625.252018	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"767193"	926.383418	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1616751"	324.120618	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"328612"	313.129647	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"722127"	463.695347	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1469751"	162.563947	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1061902"	108.711723333333	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1267956"	334.164886	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"385436"	641.225958	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"744244"	942.357358	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1545204"	340.094558	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"303838"	321.116617	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"700272"	471.682317	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1455188"	170.550917	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"245976"	644.296626	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1216498"	343.165226	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1200381"	172.086251	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"192520"	647.23396	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"633903"	948.36536	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1134856"	346.10256	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"176325"	324.120618	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"615641"	474.686318	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1118298"	173.554918	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1404011"	116.039037333333	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1435034"	348.144146	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"221564"	329.15364	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1509876"	362.19619	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"411022"	332.107588	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"774933"	482.673288	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1671994"	181.541888	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"262889"	666.278568	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1234507"	365.147168	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1721206"	365.170693	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1186560"	123.366351333333	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1656455"	370.126088	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"170244"	679.18184	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"612759"	980.31324	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1099793"	378.05044	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"149676"	340.094558	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"591422"	490.660258	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1079215"	189.528858	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1111332"	380.064992	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1348812"	380.152607	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1017340"	384.191776	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1537652"	385.185408	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"1000820"	192.599526	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1597511"	386.100028	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1423172"	416.131538	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1154553"	213.112801	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1704104"	433.158085	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1636473"	438.11348	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1586344"	454.08742	"C12190"	"9-O-Demethylhomolycorine"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"815620"	301.1314	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M"	0
"988061"	282.11301	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"77847"	199.746990666667	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"518297"	300.124124	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"889289"	99.3698573333333	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"8957"	300.124124	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"452892"	450.689824	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"827413"	149.558424	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"91781"	601.255524	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"531340"	902.386924	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"909143"	300.124124	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"60238"	618.282071	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"498717"	919.413471	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"876520"	317.150671	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"45877"	623.237466	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"486163"	924.368866	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"856310"	322.106066	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1633499"	322.106066	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"109544"	318.112463	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"548499"	468.678163	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"936548"	167.546763	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"275105"	637.232202	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"668622"	938.363602	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1277745"	336.100802	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"20300"	639.211406	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"462047"	940.342806	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"836569"	338.080006	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1556284"	338.080006	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"945753"	346.129594	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"367249"	647.261001	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"356600"	661.276651	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1507907"	360.145251	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"966413"	368.111551	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"115320"	336.100802	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"565093"	486.666502	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1036984"	185.535102	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1255660"	380.050285	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1319656"	382.106272	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1335551"	404.088229	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"926549"	414.116986	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1303986"	450.093664	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1382395"	266.118724	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1393200"	284.1287	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"297386"	603.270076	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"684579"	904.401476	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1362021"	302.138676	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"138920"	302.138676	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"575562"	452.704376	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1046185"	151.572976	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"213721"	201.761542666667	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"653648"	302.138676	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1173960"	101.384409333333	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"436141"	620.296623	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"798596"	921.428023	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1693104"	319.165223	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"340655"	310.6519495	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"733076"	461.2176495	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1482524"	160.0862495	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"395735"	625.252018	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"767667"	926.383418	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1615768"	324.120618	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"329086"	313.129647	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"719320"	463.695347	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1469861"	162.563947	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1062012"	108.711723333333	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1262596"	334.164886	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"382266"	641.225958	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"744354"	942.357358	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1543127"	340.094558	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"303584"	321.116617	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"693449"	471.682317	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1447275"	170.550917	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"242805"	644.296626	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1214422"	343.165226	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1196481"	172.086251	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"191534"	647.23396	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"631462"	948.36536	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1134603"	346.10256	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"175582"	324.120618	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"614901"	474.686318	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1117800"	173.554918	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1400841"	116.039037333333	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1439518"	348.144146	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"220832"	329.15364	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1508497"	362.19619	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"414779"	332.107588	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"776867"	482.673288	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1671011"	181.541888	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"261906"	666.278568	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1235711"	365.147168	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1720222"	365.170693	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1184483"	123.366351333333	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1659845"	370.126088	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"172544"	679.18184	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"612553"	980.31324	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1098803"	378.05044	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"156719"	340.094558	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"595665"	490.660258	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1079325"	189.528858	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1111443"	380.064992	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1348921"	380.152607	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1019637"	384.191776	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1537762"	385.185408	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"1000930"	192.599526	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1597621"	386.100028	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1424375"	416.131538	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1154663"	213.112801	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1709682"	433.158085	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1642052"	438.11348	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1586454"	454.08742	"C12191"	"ent-6beta-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"815730"	301.1314	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M"	0
"987808"	282.11301	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"76414"	199.746990666667	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"513786"	300.124124	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"892680"	99.3698573333333	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"9067"	300.124124	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"453002"	450.689824	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"827523"	149.558424	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"91770"	601.255524	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"532790"	902.386924	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"908160"	300.124124	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"58163"	618.282071	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"498465"	919.413471	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"874810"	317.150671	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"44168"	623.237466	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"485427"	924.368866	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"859700"	322.106066	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1631792"	322.106066	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"108680"	318.112463	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"546423"	468.678163	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"933379"	167.546763	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"277403"	637.232202	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"663264"	938.363602	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1277855"	336.100802	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"20410"	639.211406	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"462157"	940.342806	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"837772"	338.080006	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1556518"	338.080006	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"949143"	346.129594	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"369546"	647.261001	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"356710"	661.276651	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1504450"	360.145251	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"964336"	368.111551	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"117617"	336.100802	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"565080"	486.666502	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1036430"	185.535102	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1253212"	380.050285	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1319199"	382.106272	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1333900"	404.088229	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"926414"	414.116986	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1303489"	450.093664	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1381895"	266.118724	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1397689"	284.1287	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"295551"	603.270076	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"683231"	904.401476	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1361401"	302.138676	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"134651"	302.138676	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"574579"	452.704376	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1047390"	151.572976	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"216018"	201.761542666667	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"657040"	302.138676	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1174800"	101.384409333333	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"434795"	620.296623	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"796520"	921.428023	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1691028"	319.165223	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"337485"	310.6519495	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"729906"	461.2176495	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1482634"	160.0862495	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"395845"	625.252018	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"764497"	926.383418	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1613691"	324.120618	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"322635"	313.129647	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"716150"	463.695347	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1464501"	162.563947	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1053738"	108.711723333333	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1257247"	334.164886	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"381283"	641.225958	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"740456"	942.357358	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1541780"	340.094558	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"301508"	321.116617	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"693564"	471.682317	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1448114"	170.550917	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"241822"	644.296626	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1214532"	343.165226	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1196226"	172.086251	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"191647"	647.23396	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"635217"	948.36536	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1138723"	346.10256	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"178733"	324.120618	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"617564"	474.686318	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1120706"	173.554918	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1407512"	116.039037333333	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1437441"	348.144146	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"221063"	329.15364	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1513014"	362.19619	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"418169"	332.107588	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"778071"	482.673288	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1677683"	181.541888	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"262746"	666.278568	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1232540"	365.147168	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1723613"	365.170693	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1188967"	123.366351333333	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1659955"	370.126088	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"170099"	679.18184	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"610393"	980.31324	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1098306"	378.05044	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"152085"	340.094558	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"592738"	490.660258	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1078343"	189.528858	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1107180"	380.064992	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1345749"	380.152607	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1013187"	384.191776	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1533498"	385.185408	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"1001040"	192.599526	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1597731"	386.100028	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1423391"	416.131538	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1160241"	213.112801	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1709792"	433.158085	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1647629"	438.11348	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1586564"	454.08742	"C12192"	"ent-6alpha-Hydroxybuphanisine"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"815844"	271.1208	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M"	0
"986827"	252.10241	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"78212"	179.739924	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"516083"	270.113524	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"892790"	89.366324	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"9177"	270.113524	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"453842"	405.673924	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"827633"	134.553124	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"92976"	541.234324	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"533386"	812.355124	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"910095"	270.113524	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"61676"	558.260871	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"497835"	829.381671	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"875639"	287.140071	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"45851"	563.216266	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"484809"	834.337066	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"860903"	292.095466	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1632626"	292.095466	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"105874"	288.101863	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"547262"	423.662263	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"937864"	152.541463	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"279697"	577.211002	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"666655"	848.331802	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1280154"	306.090202	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"25990"	579.190206	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"461174"	850.311006	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"836788"	308.069406	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1559181"	308.069406	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"948158"	316.118994	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"367467"	587.239801	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"356820"	601.255451	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1503467"	330.134651	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"964446"	338.100951	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"115540"	306.090202	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"564580"	441.650602	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1035207"	170.529802	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1253322"	350.039685	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1319424"	352.095672	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1333643"	374.077629	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"925434"	384.106386	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1303363"	420.083064	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1381523"	236.108124	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1397068"	254.1181	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"298138"	543.248876	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"685530"	814.369676	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1362240"	272.128076	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"139504"	272.128076	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"576147"	407.688476	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1045312"	136.567676	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"209932"	181.754476	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"656787"	272.128076	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1175275"	91.380876	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"436728"	560.275423	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"796630"	831.396223	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1690774"	289.154623	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"341605"	280.6413495	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"731109"	416.2017495	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1481648"	145.0809495	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"395955"	565.230818	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"766429"	836.351618	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1615259"	294.110018	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"324568"	283.119047	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"717353"	418.679447	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1466799"	147.558647	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1055674"	98.70819	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1260630"	304.154286	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"383576"	581.204758	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"741295"	852.325558	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1542621"	310.083958	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"300890"	291.106017	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"694041"	426.666417	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1451143"	155.545617	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"245212"	584.275426	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1216829"	313.154626	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1198523"	157.080951	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"189693"	587.21276	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"629862"	858.33356	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1132638"	316.09196	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"176658"	294.110018	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"621685"	429.670418	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1123004"	158.549618	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1402156"	106.035504	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1438645"	318.133546	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"226156"	299.14304	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1512032"	332.18559	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"418279"	302.096988	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"781461"	437.657388	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1676699"	166.536588	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"261037"	606.257368	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1233745"	335.136568	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1723726"	335.160093	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1191993"	113.362818	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1661158"	340.115488	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"170938"	619.16064	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"606487"	890.28144	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1099472"	348.03984	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"150009"	310.083958	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"592848"	445.644358	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1077359"	174.523558	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1112757"	350.054392	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1343671"	350.142007	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1017671"	354.181176	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1535434"	355.174808	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"1003337"	177.594226	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1592375"	356.089428	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1425690"	386.120938	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1159257"	198.107501	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1712091"	403.147485	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1649199"	408.10288	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1586674"	424.07682	"C12193"	"Vittatine;(3beta5alpha13beta19alpha)-12-Didehydro-crinan-3-ol"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"816562"	287.1158	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M"	0
"989777"	268.09741	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-H2O-H"	-19.01839
"78523"	190.403257333333	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M-3H"	-3.021828
"517285"	286.108524	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M-3H"	-3.021828
"894844"	94.6979906666667	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-3H"	-3.021828
"8193"	286.108524	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M-2H"	-2.014552
"449941"	429.666424	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M-2H"	-2.014552
"823368"	142.550624	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-2H"	-2.014552
"91016"	573.224324	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M-H"	-1.007276
"525109"	860.340124	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M-H"	-1.007276
"911183"	286.108524	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-H"	-1.007276
"62697"	590.250871	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M-2H+NH4"	16.019271
"499038"	877.366671	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M-2H+NH4"	16.019271
"877571"	303.135071	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-2H+NH4"	16.019271
"42191"	595.206266	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M-2H+Na"	20.974666
"481022"	882.322066	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M-2H+Na"	20.974666
"857732"	308.090466	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-2H+Na"	20.974666
"1633507"	308.090466	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Na-2H"	20.974666
"107806"	304.096863	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M-H+Cl"	33.962126
"547736"	447.654763	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M-H+Cl"	33.962126
"938703"	160.538963	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-H+Cl"	33.962126
"277620"	609.201002	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+Cl"	34.969402
"667859"	896.316802	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+Cl"	34.969402
"1283910"	322.085202	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Cl"	34.969402
"26829"	611.180206	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M-2H+K"	36.948606
"461284"	898.296006	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M-2H+K"	36.948606
"839084"	324.064406	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-2H+K"	36.948606
"1561479"	324.064406	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+K-2H"	36.948606
"949361"	332.113994	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-H+HCOOH"	44.998194
"369764"	619.229801	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+HCOOH-H"	44.998201
"358023"	633.245451	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+Hac-H"	59.013851
"1506856"	346.129651	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Hac-H"	59.013851
"964556"	354.095951	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-H+NaCOOH"	66.980151
"118930"	322.085202	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+2Cl"	69.938804
"565053"	465.643102	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+2Cl"	69.938804
"1036405"	178.527302	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2Cl"	69.938804
"1254525"	366.034685	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Br"	78.918885
"1315879"	368.090672	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Cl+HCOOH"	80.974872
"1329001"	390.072629	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Cl+NaCOOH"	102.956829
"925181"	400.101386	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M-H+CF3COOH"	112.985586
"1302255"	436.078064	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Cl+CF3COOH"	148.962264
"1382235"	252.103124	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H-2H2O"	-35.012676
"1396084"	270.1131	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H-H2O"	-17.0027
"296867"	575.238876	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+H"	1.007276
"685275"	862.354676	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+H"	1.007276
"1364538"	288.123076	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H"	1.007276
"140344"	288.123076	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+2H"	2.014552
"575892"	431.680976	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+2H"	2.014552
"1046879"	144.565176	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2H"	2.014552
"214051"	192.417809333333	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+3H"	3.021828
"658718"	288.123076	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+3H"	3.021828
"1175749"	96.7125426666667	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+3H"	3.021828
"438659"	592.265423	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+NH4"	18.033823
"799655"	879.381223	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+NH4"	18.033823
"1685052"	305.149623	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+NH4"	18.033823
"340986"	296.6363495	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+H+NH4"	19.041099
"731219"	440.1942495	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+H+NH4"	19.041099
"1481758"	153.0784495	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H+NH4"	19.041099
"396065"	597.220818	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+Na"	22.989218
"767268"	884.336618	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+Na"	22.989218
"1616096"	310.105018	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Na"	22.989218
"328078"	299.114047	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+H+Na"	23.996494
"717461"	442.671947	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+H+Na"	23.996494
"1466179"	155.556147	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H+Na"	23.996494
"1061249"	104.039856666667	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2H+Na"	25.00377
"1262926"	320.149286	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+CH3OH+H"	33.033486
"379678"	613.194758	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+K"	38.963158
"744684"	900.310558	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+K"	38.963158
"1544549"	326.078958	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+K"	38.963158
"305008"	307.101017	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+H+K"	39.970434
"699616"	450.658917	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+H+K"	39.970434
"1453438"	163.543117	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H+K"	39.970434
"245322"	616.265426	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+ACN+H"	42.033826
"1218032"	329.149626	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+ACN+H"	42.033826
"1199726"	165.078451	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+ACN+2H"	43.041102
"196971"	619.20276	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+2Na-H"	44.97116
"629972"	906.31856	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+2Na-H"	44.97116
"1132987"	332.08696	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2Na-H"	44.97116
"176768"	310.105018	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+2Na"	45.978436
"613409"	453.662918	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+2Na"	45.978436
"1116675"	166.547118	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2Na"	45.978436
"1402266"	111.367170666667	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H+2Na"	46.985712
"1438755"	334.128546	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H+HCOOH"	47.012746
"226266"	315.13804	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+3H2O+2H"	56.04448
"1515422"	348.18059	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+IsoProp+H"	61.06479
"418390"	318.091988	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+Na+K"	61.952376
"782664"	461.649888	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+Na+K"	61.952376
"1678995"	174.534088	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Na+K"	61.952376
"263333"	638.247368	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+ACN+Na"	64.015768
"1236042"	351.131568	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+ACN+Na"	64.015768
"1722742"	351.155093	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+NH4+HCOOH"	64.039293
"1190280"	118.694484666667	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+3Na"	68.967654
"1662360"	356.110488	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Na+HCOOH"	68.994688
"165944"	651.15064	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+2K-H"	76.91904
"606597"	938.26644	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+2K-H"	76.91904
"1099013"	364.03484	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2K-H"	76.91904
"151212"	326.078958	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"2M+2K"	77.926316
"590768"	469.636858	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"3M+2K"	77.926316
"1077467"	182.521058	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2K"	77.926316
"1110678"	366.049392	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2K+H"	78.933592
"1344874"	366.137007	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+DMSO+H"	79.021207
"1017780"	370.176176	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2ACN+H"	83.060376
"1535908"	371.169808	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+IsoProp+Na+H"	84.054008
"1003326"	185.591726	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+2ACN+2H"	84.067652
"1597952"	372.084428	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+K+HCOOH"	84.968628
"1427621"	402.115938	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+H+CF3COOH"	115.000138
"1158274"	206.105001	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+3ACN+2H"	125.094202
"1712201"	419.142485	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+NH4+CF3COOH"	132.026685
"1649552"	424.09788	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+Na+CF3COOH"	136.98208
"1586784"	440.07182	"C12194"	"11-Hydroxyvittatine"	"C16H17NO4"	"287.1158"	"M+K+CF3COOH"	152.95602
"816061"	287.1521	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M"	0
"989231"	268.13371	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-H2O-H"	-19.01839
"77839"	190.427457333333	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M-3H"	-3.021828
"518051"	286.144824	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M-3H"	-3.021828
"894350"	94.7100906666667	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-3H"	-3.021828
"14989"	286.144824	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M-2H"	-2.014552
"454957"	429.720874	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M-2H"	-2.014552
"832240"	142.568774	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-2H"	-2.014552
"91127"	573.296924	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M-H"	-1.007276
"533857"	860.449024	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M-H"	-1.007276
"911241"	286.144824	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-H"	-1.007276
"62620"	590.323471	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M-2H+NH4"	16.019271
"500486"	877.475571	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M-2H+NH4"	16.019271
"878775"	303.171371	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-2H+NH4"	16.019271
"43394"	595.278866	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M-2H+Na"	20.974666
"484048"	882.430966	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M-2H+Na"	20.974666
"858935"	308.126766	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-2H+Na"	20.974666
"1633818"	308.126766	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Na-2H"	20.974666
"109821"	304.133163	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M-H+Cl"	33.962126
"547853"	447.709213	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M-H+Cl"	33.962126
"939545"	160.557113	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-H+Cl"	33.962126
"279921"	609.273602	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+Cl"	34.969402
"669062"	896.425702	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+Cl"	34.969402
"1287550"	322.121502	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Cl"	34.969402
"25847"	611.252806	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M-2H+K"	36.948606
"461394"	898.404906	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M-2H+K"	36.948606
"839196"	324.100706	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-2H+K"	36.948606
"1560496"	324.100706	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+K-2H"	36.948606
"951660"	332.150294	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-H+HCOOH"	44.998194
"368781"	619.302401	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+HCOOH-H"	44.998201
"358133"	633.318051	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+Hac-H"	59.013851
"1505872"	346.165951	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Hac-H"	59.013851
"964666"	354.132251	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-H+NaCOOH"	66.980151
"121227"	322.121502	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+2Cl"	69.938804
"562976"	465.697552	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+2Cl"	69.938804
"1035058"	178.545452	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2Cl"	69.938804
"1253542"	366.070985	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Br"	78.918885
"1314895"	368.126972	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Cl+HCOOH"	80.974872
"1332029"	390.108929	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Cl+NaCOOH"	102.956829
"926915"	400.137686	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M-H+CF3COOH"	112.985586
"1303339"	436.114364	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Cl+CF3COOH"	148.962264
"1382551"	252.139424	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H-2H2O"	-35.012676
"1398382"	270.1494	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H-H2O"	-17.0027
"296974"	575.311476	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+H"	1.007276
"687934"	862.463576	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+H"	1.007276
"1365378"	288.159376	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H"	1.007276
"140780"	288.159376	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+2H"	2.014552
"580867"	431.735426	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+2H"	2.014552
"1048812"	144.583326	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2H"	2.014552
"216347"	192.442009333333	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+3H"	3.021828
"657735"	288.159376	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+3H"	3.021828
"1176223"	96.7246426666667	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+3H"	3.021828
"437311"	592.338023	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+NH4"	18.033823
"796484"	879.490123	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+NH4"	18.033823
"1690631"	305.185923	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+NH4"	18.033823
"340004"	296.6726495	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+H+NH4"	19.041099
"736434"	440.2486995	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+H+NH4"	19.041099
"1482964"	153.0965995	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H+NH4"	19.041099
"404925"	597.293418	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+Na"	22.989218
"764826"	884.445518	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+Na"	22.989218
"1618263"	310.141318	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Na"	22.989218
"329282"	299.150347	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+H+Na"	23.996494
"717574"	442.726397	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+H+Na"	23.996494
"1468113"	155.574297	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H+Na"	23.996494
"1062451"	104.051956666667	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2H+Na"	25.00377
"1263037"	320.185586	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+CH3OH+H"	33.033486
"385985"	613.267358	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+K"	38.963158
"745887"	900.419458	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+K"	38.963158
"1546852"	326.115258	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+K"	38.963158
"308397"	307.137317	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+H+K"	39.970434
"698634"	450.713367	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+H+K"	39.970434
"1455738"	163.561267	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H+K"	39.970434
"245433"	616.338026	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+ACN+H"	42.033826
"1214862"	329.185926	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+ACN+H"	42.033826
"1200932"	165.096601	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+ACN+2H"	43.041102
"195989"	619.27536	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+2Na-H"	44.97116
"636643"	906.42746	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+2Na-H"	44.97116
"1133221"	332.12326	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2Na-H"	44.97116
"176878"	310.141318	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+2Na"	45.978436
"621905"	453.717368	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+2Na"	45.978436
"1116905"	166.565268	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2Na"	45.978436
"1403469"	111.379270666667	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H+2Na"	46.985712
"1436681"	334.164846	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H+HCOOH"	47.012746
"226377"	315.17434	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+3H2O+2H"	56.04448
"1516625"	348.21689	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+IsoProp+H"	61.06479
"422873"	318.128288	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+Na+K"	61.952376
"784235"	461.704338	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+Na+K"	61.952376
"1679110"	174.552238	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Na+K"	61.952376
"260161"	638.319968	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+ACN+Na"	64.015768
"1233965"	351.167868	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+ACN+Na"	64.015768
"1721758"	351.191393	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+NH4+HCOOH"	64.039293
"1191483"	118.706584666667	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+3Na"	68.967654
"1658098"	356.146788	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Na+HCOOH"	68.994688
"170429"	651.22324	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+2K-H"	76.91904
"608898"	938.37534	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+2K-H"	76.91904
"1099001"	364.07114	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2K-H"	76.91904
"152414"	326.115258	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"2M+2K"	77.926316
"595253"	469.691308	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"3M+2K"	77.926316
"1078674"	182.539208	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2K"	77.926316
"1109697"	366.085692	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2K+H"	78.933592
"1347174"	366.173307	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+DMSO+H"	79.021207
"1019350"	370.212476	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2ACN+H"	83.060376
"1536018"	371.206108	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+IsoProp+Na+H"	84.054008
"1000278"	185.609876	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+2ACN+2H"	84.067652
"1598062"	372.120728	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+K+HCOOH"	84.968628
"1427001"	402.152238	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+H+CF3COOH"	115.000138
"1156199"	206.123151	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+3ACN+2H"	125.094202
"1707935"	419.178785	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+NH4+CF3COOH"	132.026685
"1642493"	424.13418	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+Na+CF3COOH"	136.98208
"1586894"	440.10812	"C12195"	"Zephyramine"	"C17H21NO3"	"287.1521"	"M+K+CF3COOH"	152.95602
"817001"	736.2421	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M"	0
"989656"	717.22371	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-H2O-H"	-19.01839
"78233"	489.820790666667	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M-3H"	-3.021828
"518244"	735.234824	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M-3H"	-3.021828
"893850"	244.406757333333	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-3H"	-3.021828
"14977"	735.234824	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M-2H"	-2.014552
"455553"	1103.355874	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M-2H"	-2.014552
"832467"	367.113774	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-2H"	-2.014552
"92330"	1471.476924	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M-H"	-1.007276
"534090"	2207.719024	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M-H"	-1.007276
"911119"	735.234824	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-H"	-1.007276
"62663"	1488.503471	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M-2H+NH4"	16.019271
"498165"	2224.745571	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M-2H+NH4"	16.019271
"872687"	752.261371	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-2H+NH4"	16.019271
"40587"	1493.458866	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M-2H+Na"	20.974666
"481240"	2229.700966	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M-2H+Na"	20.974666
"859045"	757.216766	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-2H+Na"	20.974666
"1631863"	757.216766	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Na-2H"	20.974666
"107297"	753.223163	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M-H+Cl"	33.962126
"548693"	1121.344213	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M-H+Cl"	33.962126
"941479"	385.102113	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-H+Cl"	33.962126
"280400"	1507.453602	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+Cl"	34.969402
"666983"	2243.695702	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+Cl"	34.969402
"1287901"	771.211502	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Cl"	34.969402
"31023"	1509.432806	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M-2H+K"	36.948606
"466973"	2245.674906	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M-2H+K"	36.948606
"839306"	773.190706	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-2H+K"	36.948606
"1562795"	773.190706	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+K-2H"	36.948606
"950678"	781.240294	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-H+HCOOH"	44.998194
"368892"	1517.482401	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+HCOOH-H"	44.998201
"356057"	1531.498051	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+Hac-H"	59.013851
"1507564"	795.255951	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Hac-H"	59.013851
"971339"	803.222251	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-H+NaCOOH"	66.980151
"124618"	771.211502	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+2Cl"	69.938804
"563817"	1139.332552	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+2Cl"	69.938804
"1035897"	403.090452	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2Cl"	69.938804
"1255840"	815.160985	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Br"	78.918885
"1313913"	817.216972	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Cl+HCOOH"	80.974872
"1331775"	839.198929	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Cl+NaCOOH"	102.956829
"925399"	849.227686	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M-H+CF3COOH"	112.985586
"1302109"	885.204364	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Cl+CF3COOH"	148.962264
"1380639"	701.229424	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H-2H2O"	-35.012676
"1393758"	719.2394	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H-H2O"	-17.0027
"298342"	1473.491476	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+H"	1.007276
"686588"	2209.733576	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+H"	1.007276
"1358562"	737.249376	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H"	1.007276
"141174"	737.249376	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+2H"	2.014552
"580733"	1105.370426	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+2H"	2.014552
"1049290"	369.128326	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2H"	2.014552
"217918"	491.835342666667	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+3H"	3.021828
"659305"	737.249376	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+3H"	3.021828
"1177068"	246.421309333333	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+3H"	3.021828
"435600"	1490.518023	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+NH4"	18.033823
"798782"	2226.760123	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+NH4"	18.033823
"1691835"	754.275923	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+NH4"	18.033823
"344857"	745.7626495	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+H+NH4"	19.041099
"736180"	1113.8836995	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+H+NH4"	19.041099
"1492312"	377.6415995	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H+NH4"	19.041099
"405035"	1495.473418	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+Na"	22.989218
"767123"	2231.715518	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+Na"	22.989218
"1616316"	759.231318	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Na"	22.989218
"329599"	748.240347	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+H+Na"	23.996494
"722505"	1116.361397	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+H+Na"	23.996494
"1473693"	380.119297	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H+Na"	23.996494
"1066937"	253.748623333333	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2H+Na"	25.00377
"1270803"	769.275586	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+CH3OH+H"	33.033486
"389380"	1511.447358	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+K"	38.963158
"751470"	2247.689458	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+K"	38.963158
"1552430"	775.205258	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+K"	38.963158
"313374"	756.227317	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+H+K"	39.970434
"703120"	1124.348367	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+H+K"	39.970434
"1458036"	388.106267	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H+K"	39.970434
"249433"	1514.518026	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+ACN+H"	42.033826
"1219347"	778.275926	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+ACN+H"	42.033826
"1205417"	389.641601	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+ACN+2H"	43.041102
"190267"	1517.45536	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+2Na-H"	44.97116
"630312"	2253.69746	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+2Na-H"	44.97116
"1146092"	781.21326	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2Na-H"	44.97116
"181363"	759.231318	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+2Na"	45.978436
"619831"	1127.352368	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+2Na"	45.978436
"1128803"	391.110268	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2Na"	45.978436
"1411964"	261.075937333333	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H+2Na"	46.985712
"1443351"	783.254846	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H+HCOOH"	47.012746
"231954"	764.26434	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+3H2O+2H"	56.04448
"1521109"	797.30689	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+IsoProp+H"	61.06479
"423797"	767.218288	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+Na+K"	61.952376
"784709"	1135.339338	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+Na+K"	61.952376
"1680316"	399.097238	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Na+K"	61.952376
"265380"	1536.499968	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+ACN+Na"	64.015768
"1239180"	800.257868	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+ACN+Na"	64.015768
"1726244"	800.281393	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+NH4+HCOOH"	64.039293
"1193781"	268.403251333333	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+3Na"	68.967654
"1661491"	805.236788	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Na+HCOOH"	68.994688
"171390"	1549.40324	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+2K-H"	76.91904
"610710"	2285.64534	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+2K-H"	76.91904
"1099723"	813.16114	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2K-H"	76.91904
"155804"	775.205258	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"2M+2K"	77.926316
"595242"	1143.326308	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"3M+2K"	77.926316
"1083851"	407.084208	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2K"	77.926316
"1114426"	815.175692	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2K+H"	78.933592
"1350202"	815.263307	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+DMSO+H"	79.021207
"1019582"	819.302476	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2ACN+H"	83.060376
"1539288"	820.296108	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+IsoProp+Na+H"	84.054008
"1002576"	410.154876	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+2ACN+2H"	84.067652
"1598173"	821.210728	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+K+HCOOH"	84.968628
"1427111"	851.242238	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+H+CF3COOH"	115.000138
"1160683"	430.668151	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+3ACN+2H"	125.094202
"1708045"	868.268785	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+NH4+CF3COOH"	132.026685
"1642603"	873.22418	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+Na+CF3COOH"	136.98208
"1587004"	889.19812	"C12196"	"Bocconarborine A;(-)-Bocconarborine A"	"C44H36N2O9"	"736.2421"	"M+K+CF3COOH"	152.95602
"815796"	736.2421	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M"	0
"983252"	717.22371	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-H2O-H"	-19.01839
"75868"	489.820790666667	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M-3H"	-3.021828
"515064"	735.234824	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M-3H"	-3.021828
"891044"	244.406757333333	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-3H"	-3.021828
"14481"	735.234824	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M-2H"	-2.014552
"454648"	1103.355874	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M-2H"	-2.014552
"831359"	367.113774	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-2H"	-2.014552
"85879"	1471.476924	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M-H"	-1.007276
"533830"	2207.719024	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M-H"	-1.007276
"910536"	735.234824	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-H"	-1.007276
"62239"	1488.503471	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M-2H+NH4"	16.019271
"498273"	2224.745571	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M-2H+NH4"	16.019271
"877898"	752.261371	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-2H+NH4"	16.019271
"40695"	1493.458866	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M-2H+Na"	20.974666
"476975"	2229.700966	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M-2H+Na"	20.974666
"855874"	757.216766	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-2H+Na"	20.974666
"1632702"	757.216766	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Na-2H"	20.974666
"107407"	753.223163	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M-H+Cl"	33.962126
"549166"	1121.344213	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M-H+Cl"	33.962126
"942318"	385.102113	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-H+Cl"	33.962126
"281602"	1507.453602	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+Cl"	34.969402
"671467"	2243.695702	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+Cl"	34.969402
"1281684"	771.211502	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Cl"	34.969402
"26430"	1509.432806	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M-2H+K"	36.948606
"460520"	2245.674906	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M-2H+K"	36.948606
"838323"	773.190706	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-2H+K"	36.948606
"1559622"	773.190706	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+K-2H"	36.948606
"949694"	781.240294	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-H+HCOOH"	44.998194
"372284"	1517.482401	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+HCOOH-H"	44.998201
"355074"	1531.498051	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+Hac-H"	59.013851
"1503908"	795.255951	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Hac-H"	59.013851
"968167"	803.222251	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-H+NaCOOH"	66.980151
"119260"	771.211502	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+2Cl"	69.938804
"562103"	1139.332552	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+2Cl"	69.938804
"1035277"	403.090452	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2Cl"	69.938804
"1255221"	815.160985	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Br"	78.918885
"1315116"	817.216972	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Cl+HCOOH"	80.974872
"1329331"	839.198929	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Cl+NaCOOH"	102.956829
"924769"	849.227686	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M-H+CF3COOH"	112.985586
"1303558"	885.204364	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Cl+CF3COOH"	148.962264
"1382194"	701.229424	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H-2H2O"	-35.012676
"1398232"	719.2394	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H-H2O"	-17.0027
"298419"	1473.491476	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+H"	1.007276
"686696"	2209.733576	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+H"	1.007276
"1359765"	737.249376	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H"	1.007276
"140308"	737.249376	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+2H"	2.014552
"570390"	1105.370426	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+2H"	2.014552
"1050493"	369.128326	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2H"	2.014552
"216205"	491.835342666667	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+3H"	3.021828
"658320"	737.249376	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+3H"	3.021828
"1176811"	246.421309333333	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+3H"	3.021828
"436802"	1490.518023	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+NH4"	18.033823
"786865"	2226.760123	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+NH4"	18.033823
"1685384"	754.275923	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+NH4"	18.033823
"338036"	745.7626495	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+H+NH4"	19.041099
"728268"	1113.8836995	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+H+NH4"	19.041099
"1483184"	377.6415995	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H+NH4"	19.041099
"402958"	1495.473418	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+Na"	22.989218
"758485"	2231.715518	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+Na"	22.989218
"1618210"	759.231318	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Na"	22.989218
"325370"	748.240347	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+H+Na"	23.996494
"716698"	1116.361397	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+H+Na"	23.996494
"1470519"	380.119297	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H+Na"	23.996494
"1064859"	253.748623333333	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2H+Na"	25.00377
"1268727"	769.275586	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+CH3OH+H"	33.033486
"389489"	1511.447358	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+K"	38.963158
"749393"	2247.689458	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+K"	38.963158
"1550353"	775.205258	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+K"	38.963158
"311902"	756.227317	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+H+K"	39.970434
"703228"	1124.348367	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+H+K"	39.970434
"1459239"	388.106267	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H+K"	39.970434
"245653"	1514.518026	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+ACN+H"	42.033826
"1215083"	778.275926	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+ACN+H"	42.033826
"1202246"	389.641601	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+ACN+2H"	43.041102
"188878"	1517.45536	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+2Na-H"	44.97116
"632490"	2253.69746	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+2Na-H"	44.97116
"1139276"	781.21326	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2Na-H"	44.97116
"186212"	759.231318	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+2Na"	45.978436
"616659"	1127.352368	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+2Na"	45.978436
"1121258"	391.110268	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2Na"	45.978436
"1405876"	261.075937333333	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H+2Na"	46.985712
"1443459"	783.254846	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H+HCOOH"	47.012746
"232791"	764.26434	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+3H2O+2H"	56.04448
"1515750"	797.30689	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+IsoProp+H"	61.06479
"413250"	767.218288	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+Na+K"	61.952376
"775339"	1135.339338	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+Na+K"	61.952376
"1676045"	399.097238	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Na+K"	61.952376
"264392"	1536.499968	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+ACN+Na"	64.015768
"1238561"	800.257868	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+ACN+Na"	64.015768
"1721978"	800.281393	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+NH4+HCOOH"	64.039293
"1189517"	268.403251333333	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+3Na"	68.967654
"1658318"	805.236788	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Na+HCOOH"	68.994688
"170649"	1549.40324	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+2K-H"	76.91904
"611303"	2285.64534	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+2K-H"	76.91904
"1099340"	813.16114	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2K-H"	76.91904
"154819"	775.205258	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"2M+2K"	77.926316
"591098"	1143.326308	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"3M+2K"	77.926316
"1082173"	407.084208	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2K"	77.926316
"1109916"	815.175692	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2K+H"	78.933592
"1347393"	815.263307	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+DMSO+H"	79.021207
"1011548"	819.302476	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2ACN+H"	83.060376
"1535142"	820.296108	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+IsoProp+Na+H"	84.054008
"999403"	410.154876	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+2ACN+2H"	84.067652
"1597189"	821.210728	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+K+HCOOH"	84.968628
"1423940"	851.242238	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+H+CF3COOH"	115.000138
"1159695"	430.668151	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+3ACN+2H"	125.094202
"1708154"	868.268785	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+NH4+CF3COOH"	132.026685
"1639432"	873.22418	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+Na+CF3COOH"	136.98208
"1580553"	889.19812	"C12197"	"(-)-Bocconarborine B"	"C44H36N2O9"	"736.2421"	"M+K+CF3COOH"	152.95602
"814205"	377.1263	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M"	0
"983362"	358.10791	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-H2O-H"	-19.01839
"74885"	250.410257333333	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M-3H"	-3.021828
"512257"	376.119024	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M-3H"	-3.021828
"891152"	124.701490666667	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-3H"	-3.021828
"7541"	376.119024	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M-2H"	-2.014552
"453664"	564.682174	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M-2H"	-2.014552
"831591"	187.555874	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-2H"	-2.014552
"84896"	753.245324	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M-H"	-1.007276
"531748"	1130.371624	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M-H"	-1.007276
"911011"	376.119024	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-H"	-1.007276
"61622"	770.271871	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M-2H+NH4"	16.019271
"498383"	1147.398171	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M-2H+NH4"	16.019271
"876185"	393.145571	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-2H+NH4"	16.019271
"38618"	775.227266	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M-2H+Na"	20.974666
"474900"	1152.353566	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M-2H+Na"	20.974666
"855984"	398.100966	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-2H+Na"	20.974666
"1632083"	398.100966	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Na-2H"	20.974666
"106424"	394.107363	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M-H+Cl"	33.962126
"549726"	582.670513	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M-H+Cl"	33.962126
"942702"	205.544213	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-H+Cl"	33.962126
"281711"	789.222002	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+Cl"	34.969402
"669391"	1166.348302	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+Cl"	34.969402
"1283979"	412.095702	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Cl"	34.969402
"23256"	791.201206	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M-2H+K"	36.948606
"463909"	1168.327506	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M-2H+K"	36.948606
"841712"	414.074906	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-2H+K"	36.948606
"1560825"	414.074906	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+K-2H"	36.948606
"953083"	422.124494	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-H+HCOOH"	44.998194
"373123"	799.250801	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+HCOOH-H"	44.998201
"355184"	813.266451	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+Hac-H"	59.013851
"1505111"	436.140151	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Hac-H"	59.013851
"969370"	444.106451	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-H+NaCOOH"	66.980151
"122650"	412.095702	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+2Cl"	69.938804
"561120"	600.658852	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+2Cl"	69.938804
"1034659"	223.532552	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2Cl"	69.938804
"1253144"	456.045185	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Br"	78.918885
"1314133"	458.101172	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Cl+HCOOH"	80.974872
"1329077"	480.083129	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Cl+NaCOOH"	102.956829
"923786"	490.111886	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M-H+CF3COOH"	112.985586
"1303911"	526.088564	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Cl+CF3COOH"	148.962264
"1382665"	342.113624	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H-2H2O"	-35.012676
"1398328"	360.1236	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H-H2O"	-17.0027
"297914"	755.259876	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+H"	1.007276
"689358"	1132.386176	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+H"	1.007276
"1355864"	378.133576	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H"	1.007276
"134220"	378.133576	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+2H"	2.014552
"572687"	566.696726	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+2H"	2.014552
"1050603"	189.570426	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2H"	2.014552
"214492"	252.424809333333	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+3H"	3.021828
"658429"	378.133576	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+3H"	3.021828
"1176920"	126.716042666667	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+3H"	3.021828
"439098"	772.286423	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+NH4"	18.033823
"794628"	1149.412723	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+NH4"	18.033823
"1692783"	395.160123	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+NH4"	18.033823
"334865"	386.6468495	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+H+NH4"	19.041099
"728380"	575.2099995	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+H+NH4"	19.041099
"1483294"	198.0836995	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H+NH4"	19.041099
"403068"	777.241818	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+Na"	22.989218
"758595"	1154.368118	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+Na"	22.989218
"1617634"	400.115518	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Na"	22.989218
"326573"	389.124547	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+H+Na"	23.996494
"715715"	577.687697	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+H+Na"	23.996494
"1470629"	200.561397	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H+Na"	23.996494
"1063875"	134.043356666667	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2H+Na"	25.00377
"1266651"	410.159786	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+CH3OH+H"	33.033486
"389599"	793.215758	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+K"	38.963158
"747316"	1170.342058	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+K"	38.963158
"1551556"	416.089458	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+K"	38.963158
"312012"	397.111517	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+H+K"	39.970434
"702245"	585.674667	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+H+K"	39.970434
"1456069"	208.548367	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H+K"	39.970434
"244670"	796.286426	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+ACN+H"	42.033826
"1216286"	419.160126	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+ACN+H"	42.033826
"1203449"	210.083701	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+ACN+2H"	43.041102
"188782"	799.22376	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+2Na-H"	44.97116
"629320"	1176.35006	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+2Na-H"	44.97116
"1136106"	422.09746	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2Na-H"	44.97116
"178302"	400.115518	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+2Na"	45.978436
"614583"	588.678668	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+2Na"	45.978436
"1116994"	211.552368	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2Na"	45.978436
"1399425"	141.370670666667	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H+2Na"	46.985712
"1433728"	424.139046	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H+HCOOH"	47.012746
"227798"	405.14854	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+3H2O+2H"	56.04448
"1513673"	438.19109	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+IsoProp+H"	61.06479
"411173"	408.102488	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+Na+K"	61.952376
"775449"	596.665638	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+Na+K"	61.952376
"1675061"	219.539338	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Na+K"	61.952376
"266812"	818.268368	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+ACN+Na"	64.015768
"1236483"	441.142068	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+ACN+Na"	64.015768
"1722088"	441.165593	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+NH4+HCOOH"	64.039293
"1188533"	148.697984666667	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+3Na"	68.967654
"1657335"	446.120988	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Na+HCOOH"	68.994688
"168572"	831.17164	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+2K-H"	76.91904
"611049"	1208.29794	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+2K-H"	76.91904
"1099411"	454.04534	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2K-H"	76.91904
"153836"	416.089458	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"2M+2K"	77.926316
"589022"	604.652608	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"3M+2K"	77.926316
"1081189"	227.526308	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2K"	77.926316
"1108932"	456.059892	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2K+H"	78.933592
"1345316"	456.147507	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+DMSO+H"	79.021207
"1011657"	460.186676	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2ACN+H"	83.060376
"1530878"	461.180308	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+IsoProp+Na+H"	84.054008
"995135"	230.596976	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+2ACN+2H"	84.067652
"1591831"	462.094928	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+K+HCOOH"	84.968628
"1424050"	492.126438	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+H+CF3COOH"	115.000138
"1154337"	251.110251	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+3ACN+2H"	125.094202
"1708264"	509.152985	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+NH4+CF3COOH"	132.026685
"1637355"	514.10838	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+Na+CF3COOH"	136.98208
"1580663"	530.08232	"C12198"	"6-(2-Hydroxyethyl)-56-dihydrosanguinarine"	"C22H19NO5"	"377.1263"	"M+K+CF3COOH"	152.95602
"814680"	255.0895	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M"	0
"983472"	236.07111	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-H2O-H"	-19.01839
"74995"	169.052390666667	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M-3H"	-3.021828
"512367"	254.082224	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M-3H"	-3.021828
"891262"	84.0225573333333	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-3H"	-3.021828
"13849"	254.082224	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M-2H"	-2.014552
"454749"	381.626974	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M-2H"	-2.014552
"832187"	126.537474	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-2H"	-2.014552
"88286"	509.171724	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M-H"	-1.007276
"532221"	764.261224	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M-H"	-1.007276
"909660"	254.082224	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-H"	-1.007276
"61610"	526.198271	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M-2H+NH4"	16.019271
"498493"	781.287771	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M-2H+NH4"	16.019271
"876295"	271.108771	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-2H+NH4"	16.019271
"38728"	531.153666	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M-2H+Na"	20.974666
"475010"	786.243166	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M-2H+Na"	20.974666
"852814"	276.064166	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-2H+Na"	20.974666
"1632194"	276.064166	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Na-2H"	20.974666
"105440"	272.070563	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M-H+Cl"	33.962126
"548658"	399.615313	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M-H+Cl"	33.962126
"939982"	144.525813	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-H+Cl"	33.962126
"280727"	545.148402	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+Cl"	34.969402
"671688"	800.237902	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+Cl"	34.969402
"1281902"	290.058902	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Cl"	34.969402
"23366"	547.127606	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M-2H+K"	36.948606
"464019"	802.217106	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M-2H+K"	36.948606
"845835"	292.038106	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-2H+K"	36.948606
"1565309"	292.038106	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+K-2H"	36.948606
"953196"	300.087694	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-H+HCOOH"	44.998194
"372506"	555.177201	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+HCOOH-H"	44.998201
"355295"	569.192851	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+Hac-H"	59.013851
"1504861"	314.103351	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Hac-H"	59.013851
"967294"	322.069651	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-H+NaCOOH"	66.980151
"122760"	290.058902	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+2Cl"	69.938804
"562689"	417.603652	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+2Cl"	69.938804
"1035502"	162.514152	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2Cl"	69.938804
"1255445"	334.008385	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Br"	78.918885
"1316795"	336.064372	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Cl+HCOOH"	80.974872
"1329553"	358.046329	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Cl+NaCOOH"	102.956829
"923896"	368.075086	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M-H+CF3COOH"	112.985586
"1303774"	404.051764	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Cl+CF3COOH"	148.962264
"1382464"	220.076824	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H-2H2O"	-35.012676
"1397854"	238.0868	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H-H2O"	-17.0027
"298023"	511.186276	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+H"	1.007276
"684000"	766.275776	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+H"	1.007276
"1360349"	256.096776	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H"	1.007276
"133968"	256.096776	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+2H"	2.014552
"579725"	383.641526	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+2H"	2.014552
"1051081"	128.552026	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2H"	2.014552
"214967"	171.066942666667	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+3H"	3.021828
"658180"	256.096776	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+3H"	3.021828
"1177032"	86.0371093333333	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+3H"	3.021828
"438844"	528.212823	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+NH4"	18.033823
"796925"	783.302323	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+NH4"	18.033823
"1695443"	273.123323	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+NH4"	18.033823
"340442"	264.6100495	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+H+NH4"	19.041099
"735050"	392.1547995	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+H+NH4"	19.041099
"1491667"	137.0652995	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H+NH4"	19.041099
"407921"	533.168218	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+Na"	22.989218
"769527"	788.257718	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+Na"	22.989218
"1615557"	278.078718	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Na"	22.989218
"326685"	267.087747	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+H+Na"	23.996494
"719108"	394.632497	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+H+Na"	23.996494
"1471834"	139.542997	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H+Na"	23.996494
"1062895"	93.3644233333333	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2H+Na"	25.00377
"1270654"	288.122986	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+CH3OH+H"	33.033486
"387522"	549.142158	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+K"	38.963158
"752530"	804.231658	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+K"	38.963158
"1553854"	294.052658	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+K"	38.963158
"312852"	275.074717	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+H+K"	39.970434
"702357"	402.619467	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+H+K"	39.970434
"1457268"	147.529967	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H+K"	39.970434
"248059"	552.212826	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+ACN+H"	42.033826
"1222954"	297.123326	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+ACN+H"	42.033826
"1207204"	149.065301	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+ACN+2H"	43.041102
"194244"	555.15016	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+2Na-H"	44.97116
"630158"	810.23966	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+2Na-H"	44.97116
"1134030"	300.06066	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2Na-H"	44.97116
"179505"	278.078718	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+2Na"	45.978436
"619067"	405.623468	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+2Na"	45.978436
"1117468"	150.533968	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2Na"	45.978436
"1401723"	100.691737333333	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H+2Na"	46.985712
"1436025"	302.102246	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H+HCOOH"	47.012746
"227908"	283.11174	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+3H2O+2H"	56.04448
"1515970"	316.15429	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+IsoProp+H"	61.06479
"411283"	286.065688	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+Na+K"	61.952376
"775559"	413.610438	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+Na+K"	61.952376
"1675171"	158.520938	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Na+K"	61.952376
"265343"	574.194768	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+ACN+Na"	64.015768
"1236958"	319.105268	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+ACN+Na"	64.015768
"1726819"	319.128793	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+NH4+HCOOH"	64.039293
"1190469"	108.019051333333	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+3Na"	68.967654
"1657444"	324.084188	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Na+HCOOH"	68.994688
"167589"	587.09804	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+2K-H"	76.91904
"611159"	842.18754	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+2K-H"	76.91904
"1098711"	332.00854	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2K-H"	76.91904
"153946"	294.052658	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"2M+2K"	77.926316
"589132"	421.597408	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"3M+2K"	77.926316
"1080206"	166.507908	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2K"	77.926316
"1112324"	334.023092	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2K+H"	78.933592
"1345426"	334.110707	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+DMSO+H"	79.021207
"1011769"	338.149876	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2ACN+H"	83.060376
"1530988"	339.143508	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+IsoProp+Na+H"	84.054008
"996339"	169.578576	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+2ACN+2H"	84.067652
"1595221"	340.058128	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+K+HCOOH"	84.968628
"1423068"	370.089638	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+H+CF3COOH"	115.000138
"1161009"	190.091851	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+3ACN+2H"	125.094202
"1705095"	387.116185	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+NH4+CF3COOH"	132.026685
"1640744"	392.07158	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+Na+CF3COOH"	136.98208
"1580773"	408.04552	"C12199"	"3-Methoxy-89-methylenedioxy-34-dihydrophenanthridine;3-Methoxy-34-dihydro-13-dioxolo-45-j-phenanthridine"	"C15H13NO3"	"255.0895"	"M+K+CF3COOH"	152.95602
"814792"	405.1576	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M"	0
"986136"	386.13921	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-H2O-H"	-19.01839
"71829"	269.097790666667	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M-3H"	-3.021828
"516852"	404.150324	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M-3H"	-3.021828
"893199"	134.045257333333	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-3H"	-3.021828
"13230"	404.150324	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M-2H"	-2.014552
"455506"	606.729124	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M-2H"	-2.014552
"832542"	201.571524	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-2H"	-2.014552
"94110"	809.307924	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M-H"	-1.007276
"530144"	1214.465524	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M-H"	-1.007276
"902483"	404.150324	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-H"	-1.007276
"54670"	826.334471	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M-2H+NH4"	16.019271
"489858"	1231.492071	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M-2H+NH4"	16.019271
"873126"	421.176871	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-2H+NH4"	16.019271
"37748"	831.289866	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M-2H+Na"	20.974666
"478402"	1236.447466	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M-2H+Na"	20.974666
"857301"	426.132266	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-2H+Na"	20.974666
"1631211"	426.132266	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Na-2H"	20.974666
"108111"	422.138663	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M-H+Cl"	33.962126
"548887"	624.717463	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M-H+Cl"	33.962126
"939361"	219.559863	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-H+Cl"	33.962126
"279741"	845.284602	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+Cl"	34.969402
"672163"	1250.442202	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+Cl"	34.969402
"1282011"	440.127002	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Cl"	34.969402
"23476"	847.263806	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M-2H+K"	36.948606
"464129"	1252.421406	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M-2H+K"	36.948606
"845216"	442.106206	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-2H+K"	36.948606
"1565419"	442.106206	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+K-2H"	36.948606
"952211"	450.155794	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-H+HCOOH"	44.998194
"372615"	855.313401	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+HCOOH-H"	44.998201
"356497"	869.329051	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+Hac-H"	59.013851
"1503873"	464.171451	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Hac-H"	59.013851
"970320"	472.137751	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-H+NaCOOH"	66.980151
"122147"	440.127002	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+2Cl"	69.938804
"558059"	642.705802	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+2Cl"	69.938804
"1035248"	237.548202	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2Cl"	69.938804
"1254826"	484.076485	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Br"	78.918885
"1319757"	486.132472	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Cl+HCOOH"	80.974872
"1335144"	508.114429	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Cl+NaCOOH"	102.956829
"926824"	518.143186	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M-H+CF3COOH"	112.985586
"1304083"	554.119864	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Cl+CF3COOH"	148.962264
"1382595"	370.144924	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H-2H2O"	-35.012676
"1398086"	388.1549	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H-H2O"	-17.0027
"297527"	811.322476	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+H"	1.007276
"688121"	1216.480076	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+H"	1.007276
"1364469"	406.164876	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H"	1.007276
"141089"	406.164876	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+2H"	2.014552
"579835"	608.743676	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+2H"	2.014552
"1052527"	203.586076	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2H"	2.014552
"217995"	271.112342666667	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+3H"	3.021828
"659670"	406.164876	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+3H"	3.021828
"1178279"	136.059809333333	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+3H"	3.021828
"438226"	828.349023	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+NH4"	18.033823
"799222"	1233.506623	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+NH4"	18.033823
"1686078"	423.191423	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+NH4"	18.033823
"342739"	414.6781495	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+H+NH4"	19.041099
"735159"	617.2569495	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+H+NH4"	19.041099
"1491898"	212.0993495	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H+NH4"	19.041099
"406574"	833.304418	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+Na"	22.989218
"769768"	1238.462018	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+Na"	22.989218
"1618184"	428.146818	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Na"	22.989218
"327891"	417.155847	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+H+Na"	23.996494
"721894"	619.734647	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+H+Na"	23.996494
"1469758"	214.577047	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H+Na"	23.996494
"1063005"	143.387123333333	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2H+Na"	25.00377
"1266869"	438.191086	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+CH3OH+H"	33.033486
"389819"	849.278358	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+K"	38.963158
"753128"	1254.435958	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+K"	38.963158
"1551777"	444.120758	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+K"	38.963158
"310047"	425.142817	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+H+K"	39.970434
"700283"	627.721617	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+H+K"	39.970434
"1455196"	222.564017	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H+K"	39.970434
"244894"	852.349026	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+ACN+H"	42.033826
"1220880"	447.191426	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+ACN+H"	42.033826
"1200755"	224.099351	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+ACN+2H"	43.041102
"193261"	855.28636	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+2Na-H"	44.97116
"633186"	1260.44396	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+2Na-H"	44.97116
"1135233"	450.12876	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2Na-H"	44.97116
"180712"	428.146818	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+2Na"	45.978436
"616262"	630.725618	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+2Na"	45.978436
"1116850"	225.568018	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2Na"	45.978436
"1402926"	150.714437333333	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H+2Na"	46.985712
"1437231"	452.170346	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H+HCOOH"	47.012746
"224741"	433.17984	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+3H2O+2H"	56.04448
"1519728"	466.22239	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+IsoProp+H"	61.06479
"420143"	436.133788	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+Na+K"	61.952376
"777856"	638.712588	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+Na+K"	61.952376
"1673824"	233.554988	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Na+K"	61.952376
"266958"	874.330968	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+ACN+Na"	64.015768
"1240348"	469.173368	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+ACN+Na"	64.015768
"1725225"	469.196893	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+NH4+HCOOH"	64.039293
"1190944"	158.041751333333	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+3Na"	68.967654
"1663024"	474.152288	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Na+HCOOH"	68.994688
"170983"	887.23424	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+2K-H"	76.91904
"610542"	1292.39184	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+2K-H"	76.91904
"1098703"	482.07664	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2K-H"	76.91904
"152963"	444.120758	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"2M+2K"	77.926316
"592523"	646.699558	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"3M+2K"	77.926316
"1083114"	241.541958	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2K"	77.926316
"1113285"	484.091192	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2K+H"	78.933592
"1346634"	484.178807	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+DMSO+H"	79.021207
"1014067"	488.217976	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2ACN+H"	83.060376
"1534380"	489.211608	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+IsoProp+Na+H"	84.054008
"997547"	244.612626	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+2ACN+2H"	84.067652
"1593144"	490.126228	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+K+HCOOH"	84.968628
"1418804"	520.157738	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+H+CF3COOH"	115.000138
"1152373"	265.125901	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+3ACN+2H"	125.094202
"1705204"	537.184285	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+NH4+CF3COOH"	132.026685
"1639762"	542.13968	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+Na+CF3COOH"	136.98208
"1580883"	558.11362	"C12200"	"(-)-6-Acetonyldihydrochelerythrine;6-Acetonyl-56-dihydrochelerythrine"	"C24H23NO5"	"405.1576"	"M+K+CF3COOH"	152.95602
"815265"	389.1263	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M"	0
"986973"	370.10791	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-H2O-H"	-19.01839
"75946"	258.410257333333	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M-3H"	-3.021828
"516963"	388.119024	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M-3H"	-3.021828
"894037"	128.701490666667	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-3H"	-3.021828
"12246"	388.119024	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M-2H"	-2.014552
"454361"	582.682174	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M-2H"	-2.014552
"831798"	193.555874	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-2H"	-2.014552
"90695"	777.245324	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M-H"	-1.007276
"533414"	1166.371624	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M-H"	-1.007276
"905873"	388.119024	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-H"	-1.007276
"54780"	794.271871	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M-2H+NH4"	16.019271
"492157"	1183.398171	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M-2H+NH4"	16.019271
"873238"	405.145571	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-2H+NH4"	16.019271
"34578"	799.227266	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M-2H+Na"	20.974666
"478513"	1188.353566	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M-2H+Na"	20.974666
"858504"	410.100966	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-2H+Na"	20.974666
"1630228"	410.100966	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Na-2H"	20.974666
"109193"	406.107363	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M-H+Cl"	33.962126
"548873"	600.670513	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M-H+Cl"	33.962126
"939834"	211.544213	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-H+Cl"	33.962126
"280578"	813.222002	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+Cl"	34.969402
"673729"	1202.348302	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+Cl"	34.969402
"1282121"	424.095702	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Cl"	34.969402
"22492"	815.201206	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M-2H+K"	36.948606
"467520"	1204.327506	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M-2H+K"	36.948606
"844233"	426.074906	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-2H+K"	36.948606
"1567717"	426.074906	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+K-2H"	36.948606
"952321"	434.124494	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-H+HCOOH"	44.998194
"371632"	823.250801	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+HCOOH-H"	44.998201
"357697"	837.266451	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+Hac-H"	59.013851
"1503254"	448.140151	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Hac-H"	59.013851
"968606"	456.106451	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-H+NaCOOH"	66.980151
"119700"	424.095702	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+2Cl"	69.938804
"559264"	618.658852	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+2Cl"	69.938804
"1033534"	229.532552	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2Cl"	69.938804
"1252747"	468.045185	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Br"	78.918885
"1319811"	470.101172	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Cl+HCOOH"	80.974872
"1335171"	492.083129	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Cl+NaCOOH"	102.956829
"926908"	502.111886	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M-H+CF3COOH"	112.985586
"1303018"	538.088564	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Cl+CF3COOH"	148.962264
"1380814"	354.113624	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H-2H2O"	-35.012676
"1396488"	372.1236	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H-H2O"	-17.0027
"293988"	779.259876	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+H"	1.007276
"684221"	1168.386176	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+H"	1.007276
"1359476"	390.133576	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H"	1.007276
"136010"	390.133576	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+2H"	2.014552
"575205"	584.696726	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+2H"	2.014552
"1047285"	195.570426	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2H"	2.014552
"215189"	260.424809333333	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+3H"	3.021828
"659735"	390.133576	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+3H"	3.021828
"1171784"	130.716042666667	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+3H"	3.021828
"430683"	796.286423	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+NH4"	18.033823
"800060"	1185.412723	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+NH4"	18.033823
"1685823"	407.160123	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+NH4"	18.033823
"338474"	398.6468495	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+H+NH4"	19.041099
"731989"	593.2099995	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+H+NH4"	19.041099
"1492008"	204.0836995	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H+NH4"	19.041099
"405590"	801.241818	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+Na"	22.989218
"769620"	1190.368118	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+Na"	22.989218
"1617962"	412.115518	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Na"	22.989218
"325815"	401.124547	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+H+Na"	23.996494
"719329"	595.687697	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+H+Na"	23.996494
"1466223"	206.561397	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H+Na"	23.996494
"1062021"	138.043356666667	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2H+Na"	25.00377
"1264793"	422.159786	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+CH3OH+H"	33.033486
"387741"	817.215758	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+K"	38.963158
"752750"	1206.342058	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+K"	38.963158
"1550793"	428.089458	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+K"	38.963158
"310156"	409.111517	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+H+K"	39.970434
"699298"	603.674667	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+H+K"	39.970434
"1453119"	214.548367	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H+K"	39.970434
"239536"	820.286426	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+ACN+H"	42.033826
"1218802"	431.160126	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+ACN+H"	42.033826
"1200865"	216.083701	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+ACN+2H"	43.041102
"196651"	823.22376	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+2Na-H"	44.97116
"629160"	1212.35006	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+2Na-H"	44.97116
"1132549"	434.09746	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2Na-H"	44.97116
"180457"	412.115518	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+2Na"	45.978436
"616372"	606.678668	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+2Na"	45.978436
"1121700"	217.552368	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2Na"	45.978436
"1407411"	145.370670666667	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H+2Na"	46.985712
"1437705"	436.139046	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H+HCOOH"	47.012746
"228131"	417.14854	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+3H2O+2H"	56.04448
"1519109"	450.19109	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+IsoProp+H"	61.06479
"419888"	420.102488	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+Na+K"	61.952376
"776873"	614.665638	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+Na+K"	61.952376
"1674298"	225.539338	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Na+K"	61.952376
"266538"	842.268368	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+ACN+Na"	64.015768
"1239974"	453.142068	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+ACN+Na"	64.015768
"1725701"	453.165593	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+NH4+HCOOH"	64.039293
"1193242"	152.697984666667	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+3Na"	68.967654
"1664841"	458.120988	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Na+HCOOH"	68.994688
"172434"	855.17164	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+2K-H"	76.91904
"610653"	1244.29794	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+2K-H"	76.91904
"1099177"	466.04534	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2K-H"	76.91904
"153075"	428.089458	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"2M+2K"	77.926316
"594823"	622.652608	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"3M+2K"	77.926316
"1082616"	233.526308	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2K"	77.926316
"1112544"	468.059892	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2K+H"	78.933592
"1345651"	468.147507	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+DMSO+H"	79.021207
"1014178"	472.186676	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2ACN+H"	83.060376
"1535584"	473.180308	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+IsoProp+Na+H"	84.054008
"995470"	236.596976	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+2ACN+2H"	84.067652
"1592161"	474.094928	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+K+HCOOH"	84.968628
"1422195"	504.126438	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+H+CF3COOH"	115.000138
"1156857"	257.110251	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+3ACN+2H"	125.094202
"1705314"	521.152985	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+NH4+CF3COOH"	132.026685
"1639872"	526.10838	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+Na+CF3COOH"	136.98208
"1580993"	542.08232	"C12201"	"(-)-6-Acetonyldihydrosanguinarine;6-Acetonyl-56-dihydrosanguinarine;(-)-8-Acetonyldihydrosanguinarine"	"C23H19NO5"	"389.1263"	"M+K+CF3COOH"	152.95602
"815375"	368.2199	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M"	0
"987813"	349.20151	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-H2O-H"	-19.01839
"74236"	244.472657333333	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M-3H"	-3.021828
"517561"	367.212624	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M-3H"	-3.021828
"892692"	121.732690666667	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-3H"	-3.021828
"15151"	367.212624	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M-2H"	-2.014552
"453742"	551.322574	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M-2H"	-2.014552
"831181"	183.102674	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-2H"	-2.014552
"90807"	735.432524	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M-H"	-1.007276
"533162"	1103.652424	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M-H"	-1.007276
"905983"	367.212624	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-H"	-1.007276
"58170"	752.459071	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M-2H+NH4"	16.019271
"495548"	1120.678971	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M-2H+NH4"	16.019271
"873350"	384.239171	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-2H+NH4"	16.019271
"41250"	757.414466	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M-2H+Na"	20.974666
"479717"	1125.634366	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M-2H+Na"	20.974666
"855334"	389.194566	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-2H+Na"	20.974666
"1630338"	389.194566	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Na-2H"	20.974666
"109546"	385.200963	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M-H+Cl"	33.962126
"548985"	569.310913	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M-H+Cl"	33.962126
"939944"	201.091013	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-H+Cl"	33.962126
"279959"	771.409202	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+Cl"	34.969402
"668739"	1139.629102	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+Cl"	34.969402
"1283328"	403.189302	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Cl"	34.969402
"24792"	773.388406	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M-2H+K"	36.948606
"468725"	1141.608306	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M-2H+K"	36.948606
"834010"	405.168506	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-2H+K"	36.948606
"1562359"	405.168506	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+K-2H"	36.948606
"953524"	413.218094	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-H+HCOOH"	44.998194
"366275"	781.438001	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+HCOOH-H"	44.998201
"353435"	795.453651	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+Hac-H"	59.013851
"1503363"	427.233751	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Hac-H"	59.013851
"967623"	435.200051	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-H+NaCOOH"	66.980151
"119087"	403.189302	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+2Cl"	69.938804
"558281"	587.299252	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+2Cl"	69.938804
"1035104"	219.079352	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2Cl"	69.938804
"1253221"	447.138785	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Br"	78.918885
"1317865"	449.194772	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Cl+HCOOH"	80.974872
"1334265"	471.176729	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Cl+NaCOOH"	102.956829
"925690"	481.205486	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M-H+CF3COOH"	112.985586
"1302399"	517.182164	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Cl+CF3COOH"	148.962264
"1381899"	333.207224	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H-2H2O"	-35.012676
"1396599"	351.2172	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H-H2O"	-17.0027
"296285"	737.447076	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+H"	1.007276
"685426"	1105.666976	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+H"	1.007276
"1359586"	369.227176	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H"	1.007276
"127738"	369.227176	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+2H"	2.014552
"572036"	553.337126	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+2H"	2.014552
"1046306"	185.117226	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2H"	2.014552
"215301"	246.487209333333	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+3H"	3.021828
"648301"	369.227176	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+3H"	3.021828
"1166426"	123.747242666667	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+3H"	3.021828
"428606"	754.473623	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+NH4"	18.033823
"795067"	1122.693523	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+NH4"	18.033823
"1684474"	386.253723	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+NH4"	18.033823
"335304"	377.7404495	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+H+NH4"	19.041099
"732098"	561.8503995	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+H+NH4"	19.041099
"1485923"	193.6304995	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H+NH4"	19.041099
"405697"	759.429018	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+Na"	22.989218
"765599"	1127.648918	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+Na"	22.989218
"1617831"	391.209118	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Na"	22.989218
"327020"	380.218147	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+H+Na"	23.996494
"721382"	564.328097	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+H+Na"	23.996494
"1471073"	196.108197	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H+Na"	23.996494
"1062132"	131.074556666667	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2H+Na"	25.00377
"1267090"	401.253386	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+CH3OH+H"	33.033486
"391133"	775.402958	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+K"	38.963158
"751037"	1143.622858	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+K"	38.963158
"1554184"	407.183058	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+K"	38.963158
"310266"	388.205117	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+H+K"	39.970434
"702688"	572.315067	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+H+K"	39.970434
"1454325"	204.095167	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H+K"	39.970434
"242926"	778.473626	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+ACN+H"	42.033826
"1220007"	410.253726	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+ACN+H"	42.033826
"1200975"	205.630501	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+ACN+2H"	43.041102
"194574"	781.41096	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+2Na-H"	44.97116
"631585"	1149.63086	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+2Na-H"	44.97116
"1131548"	413.19106	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2Na-H"	44.97116
"179109"	391.209118	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+2Na"	45.978436
"615630"	575.319068	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+2Na"	45.978436
"1118894"	207.099168	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2Na"	45.978436
"1405334"	138.401870666667	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H+2Na"	46.985712
"1437815"	415.232646	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H+HCOOH"	47.012746
"225689"	396.24214	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+3H2O+2H"	56.04448
"1520312"	429.28469	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+IsoProp+H"	61.06479
"422550"	399.196088	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+Na+K"	61.952376
"779170"	583.306038	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+Na+K"	61.952376
"1674408"	215.086138	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Na+K"	61.952376
"267017"	800.455568	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+ACN+Na"	64.015768
"1239475"	432.235668	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+ACN+Na"	64.015768
"1725812"	432.259193	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+NH4+HCOOH"	64.039293
"1191166"	145.729184666667	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+3Na"	68.967654
"1665271"	437.214588	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Na+HCOOH"	68.994688
"171201"	813.35884	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+2K-H"	76.91904
"611493"	1181.57874	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+2K-H"	76.91904
"1098194"	445.13894	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2K-H"	76.91904
"152090"	407.183058	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"2M+2K"	77.926316
"595663"	591.293008	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"3M+2K"	77.926316
"1083577"	223.073108	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2K"	77.926316
"1112654"	447.153492	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2K+H"	78.933592
"1346855"	447.241107	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+DMSO+H"	79.021207
"1017568"	451.280276	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2ACN+H"	83.060376
"1532414"	452.273908	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+IsoProp+Na+H"	84.054008
"996674"	226.143776	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+2ACN+2H"	84.067652
"1592271"	453.188528	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+K+HCOOH"	84.968628
"1420118"	483.220038	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+H+CF3COOH"	115.000138
"1153686"	246.657051	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+3ACN+2H"	125.094202
"1702145"	500.246585	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+NH4+CF3COOH"	132.026685
"1639981"	505.20198	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+Na+CF3COOH"	136.98208
"1581103"	521.17592	"C12202"	"Platenolide A;Platenolide I"	"C20H32O6"	"368.2199"	"M+K+CF3COOH"	152.95602
"815853"	959.1575	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M"	0
"983912"	940.13911	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-H2O-H"	-19.01839
"76897"	638.431057333333	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M-3H"	-3.021828
"512808"	958.150224	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M-3H"	-3.021828
"889516"	318.711890666667	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-3H"	-3.021828
"12464"	958.150224	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M-2H"	-2.014552
"453484"	1437.728974	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M-2H"	-2.014552
"829829"	478.571474	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-2H"	-2.014552
"91280"	1917.307724	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M-H"	-1.007276
"532300"	2876.465224	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M-H"	-1.007276
"908889"	958.150224	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-H"	-1.007276
"57190"	1934.334271	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M-2H+NH4"	16.019271
"492377"	2893.491771	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M-2H+NH4"	16.019271
"873458"	975.176771	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-2H+NH4"	16.019271
"40266"	1939.289666	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M-2H+Na"	20.974666
"482380"	2898.447166	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M-2H+Na"	20.974666
"856534"	980.132166	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-2H+Na"	20.974666
"1630084"	980.132166	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Na-2H"	20.974666
"109050"	976.138563	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M-H+Cl"	33.962126
"549460"	1455.717313	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M-H+Cl"	33.962126
"939326"	496.559813	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-H+Cl"	33.962126
"278612"	1953.284402	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+Cl"	34.969402
"672130"	2912.441902	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+Cl"	34.969402
"1283803"	994.126902	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Cl"	34.969402
"24903"	1955.263606	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M-2H+K"	36.948606
"468107"	2914.421106	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M-2H+K"	36.948606
"838983"	996.106106	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-2H+K"	36.948606
"1562471"	996.106106	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+K-2H"	36.948606
"948168"	1004.155694	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-H+HCOOH"	44.998194
"369666"	1963.313201	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+HCOOH-H"	44.998201
"353546"	1977.328851	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+Hac-H"	59.013851
"1503109"	1018.171351	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Hac-H"	59.013851
"969558"	1026.137651	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-H+NaCOOH"	66.980151
"120290"	994.126902	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+2Cl"	69.938804
"558392"	1473.705652	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+2Cl"	69.938804
"1034850"	514.548152	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2Cl"	69.938804
"1250051"	1038.076385	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Br"	78.918885
"1317244"	1040.132372	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Cl+HCOOH"	80.974872
"1333648"	1062.114329	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Cl+NaCOOH"	102.956829
"926531"	1072.143086	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M-H+CF3COOH"	112.985586
"1301414"	1108.119764	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Cl+CF3COOH"	148.962264
"1380670"	924.144824	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H-2H2O"	-35.012676
"1394522"	942.1548	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H-H2O"	-17.0027
"290927"	1919.322276	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+H"	1.007276
"687723"	2878.479776	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+H"	1.007276
"1361519"	960.164776	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H"	1.007276
"134043"	960.164776	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+2H"	2.014552
"572146"	1439.743526	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+2H"	2.014552
"1045321"	480.586026	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2H"	2.014552
"212857"	640.445609333333	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+3H"	3.021828
"653877"	960.164776	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+3H"	3.021828
"1173096"	320.726442666667	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+3H"	3.021828
"427622"	1936.348823	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+NH4"	18.033823
"791897"	2895.506323	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+NH4"	18.033823
"1686406"	977.191323	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+NH4"	18.033823
"338694"	968.6780495	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+H+NH4"	19.041099
"732208"	1448.2567995	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+H+NH4"	19.041099
"1487127"	489.0992995	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H+NH4"	19.041099
"405807"	1941.304218	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+Na"	22.989218
"765710"	2900.461718	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+Na"	22.989218
"1616968"	982.146718	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Na"	22.989218
"326035"	971.155747	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+H+Na"	23.996494
"719548"	1450.734497	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+H+Na"	23.996494
"1470090"	491.576997	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H+Na"	23.996494
"1061149"	328.053756666667	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2H+Na"	25.00377
"1265014"	992.190986	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+CH3OH+H"	33.033486
"385775"	1957.278158	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+K"	38.963158
"750054"	2916.435658	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+K"	38.963158
"1553931"	998.120658	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+K"	38.963158
"312563"	979.142717	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+H+K"	39.970434
"701705"	1458.721467	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+H+K"	39.970434
"1453340"	499.563967	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H+K"	39.970434
"246317"	1960.348826	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+ACN+H"	42.033826
"1216836"	1001.191326	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+ACN+H"	42.033826
"1198899"	501.099301	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+ACN+2H"	43.041102
"192498"	1963.28616	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+2Na-H"	44.97116
"628897"	2922.44366	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+2Na-H"	44.97116
"1131517"	1004.12866	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2Na-H"	44.97116
"174236"	982.146718	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+2Na"	45.978436
"615376"	1461.725468	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+2Na"	45.978436
"1121919"	502.567968	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2Na"	45.978436
"1403257"	335.381070666667	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H+2Na"	46.985712
"1437560"	1006.170246	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H+HCOOH"	47.012746
"225071"	987.17974	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+3H2O+2H"	56.04448
"1514225"	1020.22229	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+IsoProp+H"	61.06479
"420472"	990.133688	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+Na+K"	61.952376
"779280"	1469.712438	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+Na+K"	61.952376
"1675611"	510.554938	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Na+K"	61.952376
"266643"	1982.330768	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+ACN+Na"	64.015768
"1241158"	1023.173268	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+ACN+Na"	64.015768
"1725921"	1023.196793	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+NH4+HCOOH"	64.039293
"1190183"	342.708384666667	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+3Na"	68.967654
"1664449"	1028.152188	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Na+HCOOH"	68.994688
"169123"	1995.23404	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+2K-H"	76.91904
"608683"	2954.39154	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+2K-H"	76.91904
"1098303"	1036.07654	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2K-H"	76.91904
"155480"	998.120658	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"2M+2K"	77.926316
"595042"	1477.699408	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"3M+2K"	77.926316
"1080649"	518.541908	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2K"	77.926316
"1110579"	1038.091092	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2K+H"	78.933592
"1344777"	1038.178707	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+DMSO+H"	79.021207
"1014398"	1042.217876	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2ACN+H"	83.060376
"1533617"	1043.211508	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+IsoProp+Na+H"	84.054008
"996784"	521.612576	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+2ACN+2H"	84.067652
"1591287"	1044.126128	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+K+HCOOH"	84.968628
"1418041"	1074.157638	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+H+CF3COOH"	115.000138
"1155983"	542.125851	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+3ACN+2H"	125.094202
"1702255"	1091.184185	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+NH4+CF3COOH"	132.026685
"1640091"	1096.13958	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+Na+CF3COOH"	136.98208
"1581213"	1112.11352	"C12203"	"5-Hydroxyferuloyl-CoA"	"C31H44N7O20P3S"	"959.1575"	"M+K+CF3COOH"	152.95602
"814866"	194.0579	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M"	0
"985115"	175.03951	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"74452"	128.364657333333	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"512917"	193.050624	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"891811"	63.6786906666667	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"7105"	193.050624	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"451039"	290.079574	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"827749"	96.021674	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"86648"	387.108524	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"525113"	581.166424	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"902916"	193.050624	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"59122"	404.135071	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"500865"	598.192971	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"869191"	210.077171	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"38187"	409.090466	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"478842"	603.148366	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"859923"	215.032566	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1623992"	215.032566	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"103803"	211.038963	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"549327"	308.067913	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"941262"	114.010013	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"282416"	423.085202	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"670053"	617.143102	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1284277"	229.027302	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"29021"	425.064406	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"465300"	619.122306	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"840186"	231.006506	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1563673"	231.006506	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"950464"	239.056094	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"369776"	433.114001	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"353656"	447.129651	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1504313"	253.071751	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"967845"	261.038051	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"120035"	229.027302	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"560325"	326.056252	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1034234"	131.998352	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1254536"	272.976785	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1316987"	275.032772	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1332663"	297.014729	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"924452"	307.043486	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1296785"	343.020164	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1378227"	159.045224	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1390258"	177.0552	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"294317"	389.123076	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"686740"	583.180976	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1363452"	195.065176	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"136704"	195.065176	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"573349"	292.094126	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1047983"	98.036226	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"216976"	130.379209333333	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"653987"	195.065176	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1172113"	65.6932426666667	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"427732"	406.149623	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"795287"	600.207523	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1687246"	212.091723	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"335524"	203.5784495	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"732318"	300.6073995	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1487234"	106.5494995	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"407012"	411.105018	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"766912"	605.162918	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1616105"	217.047118	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"327237"	206.056147	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"721481"	303.085097	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1469107"	109.027197	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1062353"	73.0205566666667	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1267311"	227.091386	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"385885"	427.078958	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"752351"	621.136858	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1554286"	233.021058	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"313404"	214.043117	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"704002"	311.072067	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1453450"	117.014167	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"244238"	430.149626	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1218039"	236.091726	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1197186"	118.549501	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"192608"	433.08696	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"629372"	627.14486	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1131485"	239.02906	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"174224"	217.047118	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"613255"	314.076068	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1116196"	120.018168	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1400451"	80.3478706666667	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1434390"	241.070646	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"225545"	222.08014	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1514335"	255.12269	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"418396"	225.034088	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"779390"	322.063038	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1674628"	128.005138	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"266509"	452.131568	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1240670"	258.073668	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1726031"	258.097193	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1191386"	87.6751846666667	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1664441"	263.052588	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"169233"	465.03484	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"611709"	659.09274	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1096228"	270.97694	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"155590"	233.021058	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"594056"	330.050008	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1080756"	135.992108	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1113966"	272.991492	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1348165"	273.079107	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1013414"	277.118276	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1534822"	278.111908	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"996894"	139.062776	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1592492"	279.026528	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1419246"	309.058038	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1157187"	159.576051	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1708925"	326.084585	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1640202"	331.03998	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1581323"	347.01392	"C12204"	"5-Hydroxyconiferaldehyde"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"815342"	196.0736	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M"	0
"984132"	177.05521	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"75655"	129.708457333333	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"513027"	195.066324	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"889735"	64.3505906666667	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"7215"	195.066324	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"450056"	293.103124	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"826766"	97.029524	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"86758"	391.139924	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"524129"	587.213524	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"903026"	195.066324	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"61053"	408.166471	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"501097"	604.240071	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"868207"	212.092871	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"38297"	413.121866	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"478952"	609.195466	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"860033"	217.048266	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1624102"	217.048266	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"103913"	213.054663	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"548954"	311.091463	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"941620"	115.017863	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"282001"	427.116602	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"670163"	623.190202	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1286575"	231.043002	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"27310"	429.095806	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"466503"	625.169406	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"839203"	233.022206	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1560506"	233.022206	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"946566"	241.071794	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"371345"	437.145401	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"352673"	451.161051	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1506611"	255.087451	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"971236"	263.053751	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"122331"	231.043002	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"563351"	329.079802	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1035435"	133.006202	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1255739"	274.992485	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1316006"	277.048472	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1335285"	299.030429	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"926666"	309.059186	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1297989"	345.035864	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1376150"	161.060924	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1394742"	179.0709	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"296614"	393.154476	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"686848"	589.228076	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1356636"	197.080876	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"134992"	197.080876	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"575646"	295.117676	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1045541"	99.044076	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"212347"	131.723009333333	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"648630"	197.080876	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1165662"	66.3651426666667	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"431121"	410.181023	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"789930"	606.254623	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1687355"	214.107423	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"335634"	205.5941495	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"735708"	303.6309495	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1487344"	107.5573495	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"400556"	415.136418	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"767022"	611.210018	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1616216"	219.062818	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"329907"	208.071847	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"721348"	306.108647	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1473592"	110.035047	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1064649"	73.6924566666667	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1270702"	229.107086	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"391463"	431.110358	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"753439"	627.183958	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1554764"	235.036758	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"313154"	216.058817	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"704112"	314.095617	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1453560"	118.022017	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"243255"	434.181026	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1218149"	238.107426	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1197661"	119.557351	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"195999"	437.11836	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"629970"	633.19196	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1131892"	241.04476	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"176159"	219.062818	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"614015"	317.099618	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1115704"	121.026018	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1400197"	81.0197706666667	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1434864"	243.086346	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"228571"	224.09584	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1511529"	257.13839	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"420692"	227.049788	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"779500"	325.086588	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1672551"	129.012988	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"266574"	456.162968	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1239076"	260.089368	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1725048"	260.112893	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1191496"	88.3470846666667	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1664429"	265.068288	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"171530"	469.06624	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"608903"	665.13984	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1096698"	272.99264	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"153513"	235.036758	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"590886"	333.073558	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1077586"	136.999958	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1114076"	275.007192	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1349246"	275.094807	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1013523"	279.133976	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1536025"	280.127608	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"998097"	140.070626	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1591508"	281.042228	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1419356"	311.073738	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1157297"	160.583901	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1707942"	328.100285	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1640312"	333.05568	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1581433"	349.02962	"C12205"	"5-Hydroxyconiferyl alcohol"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"816179"	166.063	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M"	0
"985335"	147.04461	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-H2O-H"	-19.01839
"75765"	109.701390666667	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M-3H"	-3.021828
"515324"	165.055724	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M-3H"	-3.021828
"892761"	54.3470573333333	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-3H"	-3.021828
"7325"	165.055724	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M-2H"	-2.014552
"451259"	248.087224	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M-2H"	-2.014552
"829062"	82.024224	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-2H"	-2.014552
"82493"	331.118724	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M-H"	-1.007276
"521687"	497.181724	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M-H"	-1.007276
"903133"	165.055724	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-H"	-1.007276
"54228"	348.145271	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M-2H+NH4"	16.019271
"499259"	514.208271	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M-2H+NH4"	16.019271
"877061"	182.082271	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-2H+NH4"	16.019271
"41681"	353.100666	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M-2H+Na"	20.974666
"482337"	519.163666	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M-2H+Na"	20.974666
"857954"	187.037666	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-2H+Na"	20.974666
"1624210"	187.037666	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Na-2H"	20.974666
"106208"	183.044063	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M-H+Cl"	33.962126
"549790"	266.075563	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M-H+Cl"	33.962126
"942413"	100.012563	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-H+Cl"	33.962126
"282634"	367.095402	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+Cl"	34.969402
"669179"	533.158402	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+Cl"	34.969402
"1285956"	201.032402	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Cl"	34.969402
"25233"	369.074606	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M-2H+K"	36.948606
"464791"	535.137606	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M-2H+K"	36.948606
"838584"	203.011606	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-2H+K"	36.948606
"1561709"	203.011606	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+K-2H"	36.948606
"949593"	211.061194	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-H+HCOOH"	44.998194
"368903"	377.124201	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+HCOOH-H"	44.998201
"353876"	391.139851	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+Hac-H"	59.013851
"1505627"	225.076851	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Hac-H"	59.013851
"971711"	233.043151	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-H+NaCOOH"	66.980151
"123534"	201.032402	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+2Cl"	69.938804
"561638"	284.063902	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+2Cl"	69.938804
"1034086"	118.000902	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2Cl"	69.938804
"1255484"	244.981885	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Br"	78.918885
"1317207"	247.037872	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Cl+HCOOH"	80.974872
"1331424"	269.019829	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Cl+NaCOOH"	102.956829
"925763"	279.048586	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M-H+CF3COOH"	112.985586
"1294818"	315.025264	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Cl+CF3COOH"	148.962264
"1372980"	131.050324	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H-2H2O"	-35.012676
"1392664"	149.0603	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H-H2O"	-17.0027
"291257"	333.133276	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+H"	1.007276
"683676"	499.196276	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+H"	1.007276
"1363305"	167.070276	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H"	1.007276
"135102"	167.070276	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+2H"	2.014552
"574663"	250.101776	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+2H"	2.014552
"1045649"	84.038776	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2H"	2.014552
"212457"	111.715942666667	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+3H"	3.021828
"650926"	167.070276	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+3H"	3.021828
"1165772"	56.3616093333333	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+3H"	3.021828
"431231"	350.159823	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+NH4"	18.033823
"793320"	516.222823	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+NH4"	18.033823
"1686372"	184.096823	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+NH4"	18.033823
"335744"	175.5835495	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+H+NH4"	19.041099
"732538"	258.6150495	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+H+NH4"	19.041099
"1487454"	92.5520495	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H+NH4"	19.041099
"400666"	355.115218	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+Na"	22.989218
"768225"	521.178218	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+Na"	22.989218
"1615962"	189.052218	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Na"	22.989218
"329645"	178.061247	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+H+Na"	23.996494
"721215"	261.092747	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+H+Na"	23.996494
"1474795"	95.029747	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H+Na"	23.996494
"1064759"	63.6889233333333	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2H+Na"	25.00377
"1267531"	199.096486	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+CH3OH+H"	33.033486
"391331"	371.089158	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+K"	38.963158
"752572"	537.152158	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+K"	38.963158
"1553532"	205.026158	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+K"	38.963158
"308520"	186.048217	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+H+K"	39.970434
"699848"	269.079717	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+H+K"	39.970434
"1449296"	103.016717	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H+K"	39.970434
"242271"	374.159826	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+ACN+H"	42.033826
"1217166"	208.096826	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+ACN+H"	42.033826
"1195948"	104.552051	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+ACN+2H"	43.041102
"190152"	377.09716	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+2Na-H"	44.97116
"630567"	543.16016	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+2Na-H"	44.97116
"1132731"	211.03416	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2Na-H"	44.97116
"176269"	189.052218	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+2Na"	45.978436
"613879"	272.083718	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+2Na"	45.978436
"1116048"	106.020718	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2Na"	45.978436
"1402128"	71.0162373333333	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H+2Na"	46.985712
"1436796"	213.075746	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H+HCOOH"	47.012746
"228681"	194.08524	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+3H2O+2H"	56.04448
"1511639"	227.12779	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+IsoProp+H"	61.06479
"418614"	197.039188	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+Na+K"	61.952376
"778517"	280.070688	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+Na+K"	61.952376
"1673754"	114.007688	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Na+K"	61.952376
"266805"	396.141768	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+ACN+Na"	64.015768
"1239915"	230.078768	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+ACN+Na"	64.015768
"1726251"	230.102293	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+NH4+HCOOH"	64.039293
"1189419"	78.3435513333333	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+3Na"	68.967654
"1662591"	235.057688	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Na+HCOOH"	68.994688
"171640"	409.04504	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+2K-H"	76.91904
"609013"	575.10804	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+2K-H"	76.91904
"1098027"	242.98204	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2K-H"	76.91904
"152530"	205.026158	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"2M+2K"	77.926316
"594276"	288.057658	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"3M+2K"	77.926316
"1078789"	121.994658	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2K"	77.926316
"1112000"	244.996592	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2K+H"	78.933592
"1349477"	245.084207	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+DMSO+H"	79.021207
"1016914"	249.123376	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2ACN+H"	83.060376
"1531761"	250.117008	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+IsoProp+Na+H"	84.054008
"998207"	125.065326	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+2ACN+2H"	84.067652
"1593804"	251.031628	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+K+HCOOH"	84.968628
"1417279"	281.063138	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+H+CF3COOH"	115.000138
"1158500"	145.578601	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+3ACN+2H"	125.094202
"1709145"	298.089685	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+NH4+CF3COOH"	132.026685
"1643702"	303.04508	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+Na+CF3COOH"	136.98208
"1578263"	319.01902	"C12206"	"Caffeyl alcohol"	"C9H10O3"	"166.063"	"M+K+CF3COOH"	152.95602
"816876"	338.1002	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M"	0
"986539"	319.08181	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-H2O-H"	-19.01839
"75875"	224.392857333333	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M-3H"	-3.021828
"513248"	337.092924	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M-3H"	-3.021828
"888862"	111.692790666667	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-3H"	-3.021828
"7435"	337.092924	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M-2H"	-2.014552
"449183"	506.143024	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M-2H"	-2.014552
"829172"	168.042824	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-2H"	-2.014552
"81510"	675.193124	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M-H"	-1.007276
"521068"	1013.293324	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M-H"	-1.007276
"897778"	337.092924	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-H"	-1.007276
"48873"	692.219671	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M-2H+NH4"	16.019271
"499369"	1030.319871	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M-2H+NH4"	16.019271
"877171"	354.119471	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-2H+NH4"	16.019271
"38511"	697.175066	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M-2H+Na"	20.974666
"484270"	1035.275266	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M-2H+Na"	20.974666
"859158"	359.074866	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-2H+Na"	20.974666
"1633068"	359.074866	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Na-2H"	20.974666
"108145"	355.081263	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M-H+Cl"	33.962126
"547343"	524.131363	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M-H+Cl"	33.962126
"942773"	186.031163	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-H+Cl"	33.962126
"282808"	711.169802	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+Cl"	34.969402
"669289"	1049.270002	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+Cl"	34.969402
"1287159"	373.069602	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Cl"	34.969402
"25342"	713.149006	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M-2H+K"	36.948606
"464901"	1051.249206	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M-2H+K"	36.948606
"837600"	375.048806	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-2H+K"	36.948606
"1560723"	375.048806	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+K-2H"	36.948606
"955170"	383.098394	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-H+HCOOH"	44.998194
"374115"	721.198601	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+HCOOH-H"	44.998201
"353987"	735.214251	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+Hac-H"	59.013851
"1499539"	397.114051	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Hac-H"	59.013851
"967080"	405.080351	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-H+NaCOOH"	66.980151
"121457"	373.069602	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+2Cl"	69.938804
"561019"	542.119702	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+2Cl"	69.938804
"1035291"	204.019502	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2Cl"	69.938804
"1255959"	417.019085	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Br"	78.918885
"1317683"	419.075072	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Cl+HCOOH"	80.974872
"1334451"	441.057029	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Cl+NaCOOH"	102.956829
"926602"	451.085786	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M-H+CF3COOH"	112.985586
"1299303"	487.062464	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Cl+CF3COOH"	148.962264
"1369811"	303.087524	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H-2H2O"	-35.012676
"1396055"	321.0975	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H-H2O"	-17.0027
"294648"	677.207676	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+H"	1.007276
"685973"	1015.307876	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+H"	1.007276
"1362322"	339.107476	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H"	1.007276
"138128"	339.107476	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+2H"	2.014552
"574773"	508.157576	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+2H"	2.014552
"1045760"	170.057376	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2H"	2.014552
"214755"	226.407409333333	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+3H"	3.021828
"655410"	339.107476	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+3H"	3.021828
"1171349"	113.707342666667	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+3H"	3.021828
"433528"	694.234223	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+NH4"	18.033823
"793429"	1032.334423	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+NH4"	18.033823
"1684659"	356.134023	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+NH4"	18.033823
"339135"	347.6207495	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+H+NH4"	19.041099
"732648"	516.6708495	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+H+NH4"	19.041099
"1478814"	178.5706495	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H+NH4"	19.041099
"400776"	699.189618	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+Na"	22.989218
"769313"	1037.289818	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+Na"	22.989218
"1616441"	361.089418	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Na"	22.989218
"329595"	350.098447	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+H+Na"	23.996494
"722061"	519.148547	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+H+Na"	23.996494
"1472718"	181.048347	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H+Na"	23.996494
"1064870"	121.034656666667	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2H+Na"	25.00377
"1270193"	371.133686	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+CH3OH+H"	33.033486
"389497"	715.163558	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+K"	38.963158
"748309"	1053.263758	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+K"	38.963158
"1548176"	377.063358	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+K"	38.963158
"306445"	358.085417	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+H+K"	39.970434
"693761"	527.135517	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+H+K"	39.970434
"1449405"	189.035317	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H+K"	39.970434
"239100"	718.234226	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+ACN+H"	42.033826
"1211931"	380.134026	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+ACN+H"	42.033826
"1195935"	190.570651	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+ACN+2H"	43.041102
"189412"	721.17156	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+2Na-H"	44.97116
"630677"	1059.27176	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+2Na-H"	44.97116
"1133207"	383.07136	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2Na-H"	44.97116
"178201"	361.089418	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+2Na"	45.978436
"613866"	530.139518	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+2Na"	45.978436
"1116399"	192.039318	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2Na"	45.978436
"1402966"	128.361970666667	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H+2Na"	46.985712
"1436906"	385.112946	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H+HCOOH"	47.012746
"226604"	366.12244	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+3H2O+2H"	56.04448
"1514665"	399.16499	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+IsoProp+H"	61.06479
"412164"	369.076388	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+Na+K"	61.952376
"778627"	538.126488	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+Na+K"	61.952376
"1673864"	200.026288	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Na+K"	61.952376
"265131"	740.216168	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+ACN+Na"	64.015768
"1239660"	402.115968	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+ACN+Na"	64.015768
"1726361"	402.139493	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+NH4+HCOOH"	64.039293
"1189529"	135.689284666667	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+3Na"	68.967654
"1662701"	407.094888	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Na+HCOOH"	68.994688
"169563"	753.11944	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+2K-H"	76.91904
"609123"	1091.21964	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+2K-H"	76.91904
"1098621"	415.01924	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2K-H"	76.91904
"150453"	377.063358	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"2M+2K"	77.926316
"596210"	546.113458	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"3M+2K"	77.926316
"1079992"	208.013258	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2K"	77.926316
"1113933"	417.033792	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2K+H"	78.933592
"1346308"	417.121407	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+DMSO+H"	79.021207
"1017024"	421.160576	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2ACN+H"	83.060376
"1535151"	422.154208	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+IsoProp+Na+H"	84.054008
"1001597"	211.083926	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+2ACN+2H"	84.067652
"1593915"	423.068828	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+K+HCOOH"	84.968628
"1417389"	453.100338	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+H+CF3COOH"	115.000138
"1159704"	231.597201	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+3ACN+2H"	125.094202
"1709255"	470.126885	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+NH4+CF3COOH"	132.026685
"1643812"	475.08228	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+Na+CF3COOH"	136.98208
"1578373"	491.05622	"C12208"	"p-Coumaroyl quinic acid;trans-5-O-(4-Coumaroyl)-D-quinate"	"C16H18O8"	"338.1002"	"M+K+CF3COOH"	152.95602
"816037"	564.0394	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M"	0
"981182"	545.02101	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-H2O-H"	-19.01839
"75985"	375.018990666667	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M-3H"	-3.021828
"512264"	563.032124	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M-3H"	-3.021828
"888972"	187.005857333333	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-3H"	-3.021828
"7545"	563.032124	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M-2H"	-2.014552
"450386"	845.051824	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M-2H"	-2.014552
"829282"	281.012424	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-2H"	-2.014552
"81619"	1127.071524	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M-H"	-1.007276
"521176"	1691.110924	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M-H"	-1.007276
"898980"	563.032124	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-H"	-1.007276
"48983"	1144.098071	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M-2H+NH4"	16.019271
"498994"	1708.137471	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M-2H+NH4"	16.019271
"874001"	580.058671	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-2H+NH4"	16.019271
"35341"	1149.053466	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M-2H+Na"	20.974666
"479276"	1713.092866	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M-2H+Na"	20.974666
"853797"	585.014066	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-2H+Na"	20.974666
"1632087"	585.014066	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Na-2H"	20.974666
"107520"	581.020463	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M-H+Cl"	33.962126
"547450"	863.040163	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M-H+Cl"	33.962126
"942731"	299.000763	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-H+Cl"	33.962126
"282243"	1163.048202	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+Cl"	34.969402
"675113"	1727.087602	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+Cl"	34.969402
"1287392"	599.008802	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Cl"	34.969402
"28733"	1165.027406	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M-2H+K"	36.948606
"468294"	1729.066806	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M-2H+K"	36.948606
"837349"	600.988006	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-2H+K"	36.948606
"1560467"	600.988006	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+K-2H"	36.948606
"954187"	609.037594	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-H+HCOOH"	44.998194
"374590"	1173.077001	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+HCOOH-H"	44.998201
"356285"	1187.092651	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+Hac-H"	59.013851
"1503660"	623.053251	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Hac-H"	59.013851
"967190"	631.019551	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-H+NaCOOH"	66.980151
"119380"	599.008802	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+2Cl"	69.938804
"558942"	881.028502	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+2Cl"	69.938804
"1034672"	316.989102	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2Cl"	69.938804
"1253517"	642.958285	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Br"	78.918885
"1317427"	645.014272	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Cl+HCOOH"	80.974872
"1334560"	666.996229	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Cl+NaCOOH"	102.956829
"926753"	677.024986	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M-H+CF3COOH"	112.985586
"1295039"	713.001664	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Cl+CF3COOH"	148.962264
"1371014"	529.026724	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H-2H2O"	-35.012676
"1392884"	547.0367	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H-H2O"	-17.0027
"291478"	1129.086076	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+H"	1.007276
"686083"	1693.125476	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+H"	1.007276
"1361339"	565.046676	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H"	1.007276
"130948"	565.046676	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+2H"	2.014552
"574883"	847.066376	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+2H"	2.014552
"1045870"	283.026976	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2H"	2.014552
"214865"	377.033542666667	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+3H"	3.021828
"655520"	565.046676	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+3H"	3.021828
"1171460"	189.020409333333	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+3H"	3.021828
"427075"	1146.112623	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+NH4"	18.033823
"793539"	1710.152023	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+NH4"	18.033823
"1693151"	582.073223	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+NH4"	18.033823
"340338"	573.5599495	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+H+NH4"	19.041099
"732758"	855.5796495	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+H+NH4"	19.041099
"1478560"	291.5402495	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H+NH4"	19.041099
"397969"	1151.068018	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+Na"	22.989218
"768445"	1715.107418	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+Na"	22.989218
"1617034"	587.028618	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Na"	22.989218
"329898"	576.037647	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+H+Na"	23.996494
"721925"	858.057347	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+H+Na"	23.996494
"1471735"	294.017947	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H+Na"	23.996494
"1064981"	196.347723333333	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2H+Na"	25.00377
"1268846"	597.072886	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+CH3OH+H"	33.033486
"389607"	1167.041958	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+K"	38.963158
"748419"	1731.081358	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+K"	38.963158
"1551567"	603.002558	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+K"	38.963158
"305461"	584.024617	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+H+K"	39.970434
"693506"	866.044317	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+H+K"	39.970434
"1449515"	302.004917	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H+K"	39.970434
"239210"	1170.112626	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+ACN+H"	42.033826
"1211920"	606.073226	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+ACN+H"	42.033826
"1197990"	303.540251	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+ACN+2H"	43.041102
"192681"	1173.04996	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+2Na-H"	44.97116
"630785"	1737.08936	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+2Na-H"	44.97116
"1133196"	609.01056	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2Na-H"	44.97116
"174299"	587.028618	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+2Na"	45.978436
"613494"	869.048318	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+2Na"	45.978436
"1115794"	305.008918	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2Na"	45.978436
"1407088"	203.675037333333	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H+2Na"	46.985712
"1439203"	611.052146	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H+HCOOH"	47.012746
"232181"	592.06164	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+3H2O+2H"	56.04448
"1514775"	625.10419	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+IsoProp+H"	61.06479
"413367"	595.015588	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+Na+K"	61.952376
"773996"	877.035288	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+Na+K"	61.952376
"1673974"	312.995888	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Na+K"	61.952376
"266985"	1192.094568	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+ACN+Na"	64.015768
"1241318"	628.055168	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+ACN+Na"	64.015768
"1727565"	628.078693	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+NH4+HCOOH"	64.039293
"1192919"	211.002351333333	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+3Na"	68.967654
"1665326"	633.034088	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Na+HCOOH"	68.994688
"172351"	1204.99784	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+2K-H"	76.91904
"611909"	1769.03724	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+2K-H"	76.91904
"1099217"	640.95844	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2K-H"	76.91904
"154937"	603.002558	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"2M+2K"	77.926316
"596931"	885.022258	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"3M+2K"	77.926316
"1083992"	320.982858	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2K"	77.926316
"1113315"	642.972992	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2K+H"	78.933592
"1349335"	643.060607	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+DMSO+H"	79.021207
"1017134"	647.099776	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2ACN+H"	83.060376
"1536354"	648.093408	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+IsoProp+Na+H"	84.054008
"1001707"	324.053526	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+2ACN+2H"	84.067652
"1596210"	649.008028	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+K+HCOOH"	84.968628
"1419686"	679.039538	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+H+CF3COOH"	115.000138
"1158720"	344.566801	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+3ACN+2H"	125.094202
"1709365"	696.066085	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+NH4+CF3COOH"	132.026685
"1643922"	701.02148	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+Na+CF3COOH"	136.98208
"1578483"	716.99542	"C12210"	"UDP-3-ketoglucose;UDP-3-keto-D-glucose"	"C15H22N2O17P2"	"564.0394"	"M+K+CF3COOH"	152.95602
"816143"	565.071	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M"	0
"981292"	546.05261	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-H2O-H"	-19.01839
"73908"	375.706724	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M-3H"	-3.021828
"508000"	564.063724	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M-3H"	-3.021828
"887988"	187.349724	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-3H"	-3.021828
"7655"	564.063724	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H"	-2.014552
"448308"	846.599224	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H"	-2.014552
"822831"	281.528224	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-2H"	-2.014552
"81729"	1129.134724	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M-H"	-1.007276
"520196"	1694.205724	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M-H"	-1.007276
"899090"	564.063724	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-H"	-1.007276
"52374"	1146.161271	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+NH4"	16.019271
"496309"	1711.232271	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+NH4"	16.019271
"875206"	581.090271	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+NH4"	16.019271
"38732"	1151.116666	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+Na"	20.974666
"473191"	1716.187666	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+Na"	20.974666
"849087"	586.045666	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+Na"	20.974666
"1632198"	586.045666	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Na-2H"	20.974666
"107630"	582.052063	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M-H+Cl"	33.962126
"546467"	864.587563	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M-H+Cl"	33.962126
"942263"	299.516563	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-H+Cl"	33.962126
"281830"	1165.111402	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+Cl"	34.969402
"674128"	1730.182402	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+Cl"	34.969402
"1286286"	600.040402	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl"	34.969402
"27385"	1167.090606	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M-2H+K"	36.948606
"468768"	1732.161606	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M-2H+K"	36.948606
"841836"	602.019606	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-2H+K"	36.948606
"1558755"	602.019606	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+K-2H"	36.948606
"952110"	610.069194	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-H+HCOOH"	44.998194
"371055"	1175.140201	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+HCOOH-H"	44.998201
"356031"	1189.155851	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+Hac-H"	59.013851
"1499761"	624.084851	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Hac-H"	59.013851
"964020"	632.051151	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-H+NaCOOH"	66.980151
"118397"	600.040402	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Cl"	69.938804
"562334"	882.575902	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Cl"	69.938804
"1034782"	317.504902	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2Cl"	69.938804
"1254359"	643.989885	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Br"	78.918885
"1317173"	646.045872	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+HCOOH"	80.974872
"1333941"	668.027829	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+NaCOOH"	102.956829
"926215"	678.056586	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M-H+CF3COOH"	112.985586
"1295149"	714.033264	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Cl+CF3COOH"	148.962264
"1371124"	530.058324	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H-2H2O"	-35.012676
"1392994"	548.0683	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H-H2O"	-17.0027
"290495"	1131.149276	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+H"	1.007276
"688379"	1696.220276	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+H"	1.007276
"1361449"	566.078276	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H"	1.007276
"128871"	566.078276	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+2H"	2.014552
"571712"	848.613776	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+2H"	2.014552
"1047074"	283.542776	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2H"	2.014552
"216798"	377.721276	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+3H"	3.021828
"655630"	566.078276	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+3H"	3.021828
"1166101"	189.364276	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+3H"	3.021828
"426092"	1148.175823	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+NH4"	18.033823
"790369"	1713.246823	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+NH4"	18.033823
"1687794"	583.104823	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4"	18.033823
"338261"	574.5915495	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+NH4"	19.041099
"729952"	857.1270495	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+NH4"	19.041099
"1478668"	292.0560495	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H+NH4"	19.041099
"400995"	1153.131218	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+Na"	22.989218
"763086"	1718.202218	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+Na"	22.989218
"1615928"	588.060218	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Na"	22.989218
"329252"	577.069247	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+Na"	23.996494
"721550"	859.604747	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+Na"	23.996494
"1474395"	294.533747	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H+Na"	23.996494
"1066549"	196.69159	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2H+Na"	25.00377
"1270414"	598.104486	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+CH3OH+H"	33.033486
"390082"	1169.105158	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+K"	38.963158
"749622"	1734.176158	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+K"	38.963158
"1549488"	604.034158	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+K"	38.963158
"305571"	585.056217	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+H+K"	39.970434
"699084"	867.591717	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+H+K"	39.970434
"1451812"	302.520717	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H+K"	39.970434
"239320"	1172.175826	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+ACN+H"	42.033826
"1213123"	607.104826	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+H"	42.033826
"1196641"	304.056051	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+2H"	43.041102
"192063"	1175.11316	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Na-H"	44.97116
"631259"	1740.18416	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Na-H"	44.97116
"1131605"	610.04216	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2Na-H"	44.97116
"173314"	588.060218	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+2Na"	45.978436
"613480"	870.595718	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+2Na"	45.978436
"1116014"	305.524718	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2Na"	45.978436
"1405011"	204.018904	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H+2Na"	46.985712
"1436033"	612.083746	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H+HCOOH"	47.012746
"229011"	593.09324	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+3H2O+2H"	56.04448
"1514885"	626.13579	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+H"	61.06479
"411653"	596.047188	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+Na+K"	61.952376
"773013"	878.582688	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+Na+K"	61.952376
"1670073"	313.511688	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+K"	61.952376
"265350"	1194.157768	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+ACN+Na"	64.015768
"1239879"	629.086768	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+ACN+Na"	64.015768
"1726581"	629.110293	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4+HCOOH"	64.039293
"1188656"	211.346218	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+3Na"	68.967654
"1662922"	634.065688	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+HCOOH"	68.994688
"171972"	1207.06104	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+2K-H"	76.91904
"610441"	1772.13204	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+2K-H"	76.91904
"1097504"	641.99004	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2K-H"	76.91904
"154683"	604.034158	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"2M+2K"	77.926316
"594606"	886.569658	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"3M+2K"	77.926316
"1081306"	321.498658	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2K"	77.926316
"1112331"	644.004592	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2K+H"	78.933592
"1345435"	644.092207	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+DMSO+H"	79.021207
"1017244"	648.131376	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2ACN+H"	83.060376
"1529903"	649.125008	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+Na+H"	84.054008
"998536"	324.569326	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+2ACN+2H"	84.067652
"1594133"	650.039628	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+K+HCOOH"	84.968628
"1420887"	680.071138	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+H+CF3COOH"	115.000138
"1157736"	345.082601	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+3ACN+2H"	125.094202
"1708381"	697.097685	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+NH4+CF3COOH"	132.026685
"1640752"	702.05308	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+Na+CF3COOH"	136.98208
"1578593"	718.02702	"C12211"	"UDP-kanosamine;UDP-D-kanosamine;UDP-alpha-D-kanosamine"	"C15H25N3O16P2"	"565.071"	"M+K+CF3COOH"	152.95602
"815524"	179.0794	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M"	0
"983589"	160.06101	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"74018"	118.378990666667	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"510298"	178.072124	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"884819"	58.6858573333333	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"9952"	178.072124	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"448418"	267.611824	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"826222"	88.532424	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"81839"	357.151524	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"520062"	536.230924	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"899564"	178.072124	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"55764"	374.178071	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"493139"	553.257471	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"877505"	195.098671	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"35562"	379.133466	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"481685"	558.212866	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"854018"	200.054066	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1632307"	200.054066	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"106285"	196.060463	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"548035"	285.600163	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"942416"	106.520763	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"282554"	393.128202	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"674604"	572.207602	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1286886"	214.048802	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"28833"	395.107406	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"468512"	574.186806	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"845226"	216.028006	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1559964"	216.028006	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"953316"	224.077594	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"372990"	403.157001	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"353956"	417.172651	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1504246"	238.093251	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"968506"	246.059551	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"117412"	214.048802	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"560620"	303.588502	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1036919"	124.509102	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1255927"	257.998285	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1319597"	260.054272	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1335391"	282.036229	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"926902"	292.064986	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1294166"	328.041664	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1375608"	144.066724	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1393104"	162.0767	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"293885"	359.166076	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"687396"	538.245476	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1362653"	180.086676	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"134449"	180.086676	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"576196"	269.626376	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1052166"	90.546976	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"219338"	120.393542666667	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"658536"	180.086676	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1172771"	60.7004093333333	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"431669"	376.192623	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"789020"	555.272023	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1685717"	197.113223	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"336184"	188.5999495	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"724959"	278.1396495	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1480237"	99.0602495	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"397825"	381.148018	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"765383"	560.227418	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1615310"	202.068618	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"329480"	191.077647	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"722026"	280.617347	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1473048"	101.537947	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1067877"	68.0277233333333	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1271621"	212.112886	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"391654"	397.121958	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"753743"	576.201358	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1553975"	218.042558	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"309692"	199.064617	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"699195"	288.604317	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1454110"	109.524917	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"244899"	400.192626	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1214328"	221.113226	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1197481"	111.060251	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"193267"	403.12996	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"629054"	582.20936	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1132080"	224.05056	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"174155"	202.068618	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"614444"	291.608318	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1119043"	112.528918	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1403661"	75.3550373333333	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1436507"	226.092146	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"224017"	207.10164	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1508713"	240.14419	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"412858"	210.055588	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"772759"	299.595288	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1669819"	120.515888	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"264000"	422.174568	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1238894"	243.095168	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1726692"	243.118693	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1189859"	82.6823513333333	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1662668"	248.074088	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"169899"	435.07784	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"610555"	614.15724	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1097252"	255.99844	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"154429"	218.042558	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"593628"	307.582258	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1081052"	128.502858	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1112440"	258.012992	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1347369"	258.100607	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1016261"	262.139776	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1532199"	263.133408	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"997553"	131.573526	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1593150"	264.048028	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1420998"	294.079538	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1154566"	152.086801	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1706305"	311.106085	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1644141"	316.06148	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1578703"	332.03542	"C12212"	"Kanosamine;D-Kanosamine;3-Amino-3-deoxy-D-glucose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"813447"	259.0457	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M"	0
"981512"	240.02731	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H2O-H"	-19.01839
"70848"	171.689857333333	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-3H"	-3.021828
"507127"	258.038424	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-3H"	-3.021828
"884929"	85.3412906666667	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-3H"	-3.021828
"7875"	258.038424	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H"	-2.014552
"445248"	387.561274	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H"	-2.014552
"819771"	128.515574	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H"	-2.014552
"81949"	517.084124	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H"	-1.007276
"521506"	776.129824	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H"	-1.007276
"899309"	258.038424	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H"	-1.007276
"52594"	534.110671	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+NH4"	16.019271
"493249"	793.156371	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+NH4"	16.019271
"867770"	275.064971	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+NH4"	16.019271
"35672"	539.066066	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+Na"	20.974666
"474136"	798.111766	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+Na"	20.974666
"849754"	280.020366	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+Na"	20.974666
"1625854"	280.020366	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na-2H"	20.974666
"106757"	276.026763	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H+Cl"	33.962126
"548143"	405.549613	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H+Cl"	33.962126
"941917"	146.503913	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+Cl"	33.962126
"281811"	553.060802	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Cl"	34.969402
"674834"	812.106502	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Cl"	34.969402
"1287234"	294.015102	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl"	34.969402
"29671"	555.040006	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+K"	36.948606
"470689"	814.085706	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+K"	36.948606
"842055"	295.994306	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+K"	36.948606
"1558981"	295.994306	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K-2H"	36.948606
"953061"	304.043894	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+HCOOH"	44.998194
"374923"	563.089601	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+HCOOH-H"	44.998201
"354430"	577.105251	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Hac-H"	59.013851
"1504721"	318.059551	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Hac-H"	59.013851
"965336"	326.025851	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+NaCOOH"	66.980151
"117523"	294.015102	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Cl"	69.938804
"561094"	423.537952	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Cl"	69.938804
"1036747"	164.492252	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Cl"	69.938804
"1256604"	337.964585	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Br"	78.918885
"1319059"	340.020572	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+HCOOH"	80.974872
"1335262"	362.002529	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+NaCOOH"	102.956829
"926998"	372.031286	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+CF3COOH"	112.985586
"1300836"	408.007964	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+CF3COOH"	148.962264
"1375718"	224.033024	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-2H2O"	-35.012676
"1395401"	242.043	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-H2O"	-17.0027
"296182"	519.098676	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H"	1.007276
"687506"	778.144376	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H"	1.007276
"1361670"	260.052976	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H"	1.007276
"136746"	260.052976	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2H"	2.014552
"577399"	389.575826	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2H"	2.014552
"1051667"	130.530126	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H"	2.014552
"219815"	173.704409333333	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H"	3.021828
"658525"	260.052976	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+3H"	3.021828
"1172881"	87.3558426666667	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3H"	3.021828
"431779"	536.125223	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+NH4"	18.033823
"790588"	795.170923	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+NH4"	18.033823
"1690200"	277.079523	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4"	18.033823
"337386"	268.5662495	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+NH4"	19.041099
"729808"	398.0890995	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+NH4"	19.041099
"1478401"	139.0433995	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+NH4"	19.041099
"396839"	541.080618	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na"	22.989218
"764400"	800.126318	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na"	22.989218
"1614691"	282.034918	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na"	22.989218
"326916"	271.043947	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+Na"	23.996494
"721525"	400.566797	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+Na"	23.996494
"1474250"	141.521097	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+Na"	23.996494
"1067502"	94.6831566666667	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H+Na"	25.00377
"1269176"	292.079186	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+CH3OH+H"	33.033486
"391032"	557.054558	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+K"	38.963158
"753123"	816.100258	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+K"	38.963158
"1550804"	298.008858	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K"	38.963158
"310166"	279.030917	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+K"	39.970434
"699308"	408.553767	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+K"	39.970434
"1456408"	149.508067	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+K"	39.970434
"246832"	560.125226	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+H"	42.033826
"1217718"	301.079526	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+H"	42.033826
"1197955"	151.043401	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+2H"	43.041102
"194472"	563.06256	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na-H"	44.97116
"631478"	822.10826	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na-H"	44.97116
"1133163"	304.01686	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na-H"	44.97116
"174018"	282.034918	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na"	45.978436
"612954"	411.557768	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na"	45.978436
"1118060"	152.512068	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na"	45.978436
"1404501"	102.010470666667	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+2Na"	46.985712
"1435160"	306.058446	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+HCOOH"	47.012746
"223033"	287.06794	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H2O+2H"	56.04448
"1508702"	320.11049	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+H"	61.06479
"412968"	290.021888	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na+K"	61.952376
"774691"	419.544738	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na+K"	61.952376
"1669929"	160.499038	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+K"	61.952376
"263017"	582.107168	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+Na"	64.015768
"1235722"	323.061468	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+Na"	64.015768
"1726073"	323.084993	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+HCOOH"	64.039293
"1190698"	109.337784666667	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3Na"	68.967654
"1664236"	328.040388	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+HCOOH"	68.994688
"170374"	595.01044	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K-H"	76.91904
"611387"	854.05614	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K-H"	76.91904
"1096997"	335.96474	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K-H"	76.91904
"155996"	298.008858	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K"	77.926316
"595194"	427.531708	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K"	77.926316
"1081526"	168.486008	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K"	77.926316
"1112550"	337.979292	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K+H"	78.933592
"1346750"	338.066907	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+DMSO+H"	79.021207
"1016371"	342.106076	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+H"	83.060376
"1532309"	343.099708	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+Na+H"	84.054008
"998756"	171.556676	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+2H"	84.067652
"1594353"	344.014328	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+HCOOH"	84.968628
"1418920"	374.045838	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+CF3COOH"	115.000138
"1156863"	192.069951	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3ACN+2H"	125.094202
"1709695"	391.072385	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+CF3COOH"	132.026685
"1640971"	396.02778	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+CF3COOH"	136.98208
"1578813"	412.00172	"C12213"	"Kanosamine 6-phosphate;D-Kanosamine 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+CF3COOH"	152.95602
"811370"	259.0457	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M"	0
"974266"	240.02731	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H2O-H"	-19.01839
"68041"	171.689857333333	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-3H"	-3.021828
"506507"	258.038424	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-3H"	-3.021828
"889410"	85.3412906666667	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-3H"	-3.021828
"4705"	258.038424	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H"	-2.014552
"442078"	387.561274	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H"	-2.014552
"820973"	128.515574	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H"	-2.014552
"81690"	517.084124	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H"	-1.007276
"523073"	776.129824	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H"	-1.007276
"899420"	258.038424	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H"	-1.007276
"49786"	534.110671	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+NH4"	16.019271
"489346"	793.156371	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+NH4"	16.019271
"868237"	275.064971	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+NH4"	16.019271
"35043"	539.066066	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+Na"	20.974666
"474244"	798.111766	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+Na"	20.974666
"851318"	280.020366	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+Na"	20.974666
"1624871"	280.020366	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na-2H"	20.974666
"105772"	276.026763	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-H+Cl"	33.962126
"549105"	405.549613	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-H+Cl"	33.962126
"942016"	146.503913	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+Cl"	33.962126
"282729"	553.060802	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Cl"	34.969402
"673114"	812.106502	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Cl"	34.969402
"1283331"	294.015102	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl"	34.969402
"28809"	555.040006	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M-2H+K"	36.948606
"466542"	814.085706	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M-2H+K"	36.948606
"837788"	295.994306	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-2H+K"	36.948606
"1559449"	295.994306	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K-2H"	36.948606
"945145"	304.043894	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+HCOOH"	44.998194
"364090"	563.089601	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+HCOOH-H"	44.998201
"347974"	577.105251	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Hac-H"	59.013851
"1495714"	318.059551	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Hac-H"	59.013851
"962163"	326.025851	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+NaCOOH"	66.980151
"113258"	294.015102	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Cl"	69.938804
"556100"	423.537952	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Cl"	69.938804
"1033285"	164.492252	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Cl"	69.938804
"1254321"	337.964585	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Br"	78.918885
"1318231"	340.020572	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+HCOOH"	80.974872
"1334757"	362.002529	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+NaCOOH"	102.956829
"924963"	372.031286	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M-H+CF3COOH"	112.985586
"1297665"	408.007964	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Cl+CF3COOH"	148.962264
"1378014"	224.033024	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-2H2O"	-35.012676
"1393323"	242.043	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H-H2O"	-17.0027
"291917"	519.098676	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H"	1.007276
"682149"	778.144376	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H"	1.007276
"1360685"	260.052976	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H"	1.007276
"128107"	260.052976	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2H"	2.014552
"575323"	389.575826	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2H"	2.014552
"1048496"	130.530126	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H"	2.014552
"218222"	173.704409333333	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H"	3.021828
"655961"	260.052976	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+3H"	3.021828
"1167524"	87.3558426666667	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3H"	3.021828
"429702"	536.125223	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+NH4"	18.033823
"793978"	795.170923	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+NH4"	18.033823
"1685207"	277.079523	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4"	18.033823
"333120"	268.5662495	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+NH4"	19.041099
"727729"	398.0890995	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+NH4"	19.041099
"1477051"	139.0433995	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+NH4"	19.041099
"392894"	541.080618	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na"	22.989218
"760135"	800.126318	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na"	22.989218
"1614797"	282.034918	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na"	22.989218
"327754"	271.043947	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+Na"	23.996494
"720907"	400.566797	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+Na"	23.996494
"1475822"	141.521097	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+Na"	23.996494
"1066515"	94.6831566666667	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2H+Na"	25.00377
"1272206"	292.079186	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+CH3OH+H"	33.033486
"392443"	557.054558	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+K"	38.963158
"753561"	816.100258	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+K"	38.963158
"1554195"	298.008858	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K"	38.963158
"311735"	279.030917	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+H+K"	39.970434
"703428"	408.553767	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+H+K"	39.970434
"1457612"	149.508067	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+K"	39.970434
"249130"	560.125226	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+H"	42.033826
"1217828"	301.079526	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+H"	42.033826
"1199888"	151.043401	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+2H"	43.041102
"197863"	563.06256	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na-H"	44.97116
"633047"	822.10826	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na-H"	44.97116
"1135095"	304.01686	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na-H"	44.97116
"174008"	282.034918	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2Na"	45.978436
"615758"	411.557768	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2Na"	45.978436
"1118170"	152.512068	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2Na"	45.978436
"1404248"	102.010470666667	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+2Na"	46.985712
"1435634"	306.058446	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+HCOOH"	47.012746
"224601"	287.06794	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+3H2O+2H"	56.04448
"1510109"	320.11049	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+H"	61.06479
"413807"	290.021888	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+Na+K"	61.952376
"774801"	419.544738	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+Na+K"	61.952376
"1670039"	160.499038	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+K"	61.952376
"263127"	582.107168	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+ACN+Na"	64.015768
"1234739"	323.061468	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+ACN+Na"	64.015768
"1725816"	323.084993	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+HCOOH"	64.039293
"1191172"	109.337784666667	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3Na"	68.967654
"1664953"	328.040388	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+HCOOH"	68.994688
"171575"	595.01044	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K-H"	76.91904
"611497"	854.05614	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K-H"	76.91904
"1099172"	335.96474	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K-H"	76.91904
"156106"	298.008858	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"2M+2K"	77.926316
"595303"	427.531708	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"3M+2K"	77.926316
"1079449"	168.486008	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K"	77.926316
"1112659"	337.979292	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2K+H"	78.933592
"1345766"	338.066907	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+DMSO+H"	79.021207
"1014294"	342.106076	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+H"	83.060376
"1530232"	343.099708	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+IsoProp+Na+H"	84.054008
"998866"	171.556676	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+2ACN+2H"	84.067652
"1593370"	344.014328	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+HCOOH"	84.968628
"1416843"	374.045838	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+H+CF3COOH"	115.000138
"1154786"	192.069951	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+3ACN+2H"	125.094202
"1708711"	391.072385	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+NH4+CF3COOH"	132.026685
"1641081"	396.02778	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+Na+CF3COOH"	136.98208
"1578923"	412.00172	"C12214"	"Aminofructose 6-phosphate;Amino-D-fructose 6-phosphate"	"C6H14NO8P"	"259.0457"	"M+K+CF3COOH"	152.95602
"811480"	199.0246	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M"	0
"974682"	180.00621	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-H2O-H"	-19.01839
"67787"	131.675790666667	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M-3H"	-3.021828
"504067"	198.017324	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M-3H"	-3.021828
"888427"	65.3342573333333	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-3H"	-3.021828
"4815"	198.017324	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M-2H"	-2.014552
"443280"	297.529624	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M-2H"	-2.014552
"821079"	98.505024	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-2H"	-2.014552
"79978"	397.041924	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M-H"	-1.007276
"521724"	596.066524	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M-H"	-1.007276
"899529"	198.017324	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-H"	-1.007276
"50624"	414.068471	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M-2H+NH4"	16.019271
"488363"	613.093071	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M-2H+NH4"	16.019271
"867255"	215.043871	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-2H+NH4"	16.019271
"34791"	419.023866	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M-2H+Na"	20.974666
"473261"	618.048466	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M-2H+Na"	20.974666
"852158"	219.999266	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-2H+Na"	20.974666
"1623888"	219.999266	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Na-2H"	20.974666
"104789"	216.005663	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M-H+Cl"	33.962126
"548608"	315.517963	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M-H+Cl"	33.962126
"942492"	116.493363	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-H+Cl"	33.962126
"282712"	433.018602	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+Cl"	34.969402
"673224"	632.043202	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+Cl"	34.969402
"1284535"	233.994002	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Cl"	34.969402
"28918"	434.997806	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M-2H+K"	36.948606
"466652"	634.022406	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M-2H+K"	36.948606
"837897"	235.973206	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-2H+K"	36.948606
"1558102"	235.973206	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+K-2H"	36.948606
"947076"	244.022794	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-H+HCOOH"	44.998194
"365293"	443.047401	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+HCOOH-H"	44.998201
"348084"	457.063051	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+Hac-H"	59.013851
"1495823"	258.038451	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Hac-H"	59.013851
"964457"	266.004751	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-H+NaCOOH"	66.980151
"115555"	233.994002	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+2Cl"	69.938804
"552927"	333.506302	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+2Cl"	69.938804
"1026103"	134.481702	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2Cl"	69.938804
"1248963"	277.943485	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Br"	78.918885
"1317612"	279.999472	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Cl+HCOOH"	80.974872
"1334015"	301.981429	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Cl+NaCOOH"	102.956829
"925073"	312.010186	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M-H+CF3COOH"	112.985586
"1301055"	347.986864	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Cl+CF3COOH"	148.962264
"1379217"	164.011924	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H-2H2O"	-35.012676
"1394526"	182.0219	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H-H2O"	-17.0027
"292027"	399.056476	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+H"	1.007276
"683352"	598.081076	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+H"	1.007276
"1359702"	200.031876	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H"	1.007276
"129310"	200.031876	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+2H"	2.014552
"574339"	299.544176	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+2H"	2.014552
"1048606"	100.519576	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2H"	2.014552
"217603"	133.690342666667	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+3H"	3.021828
"656070"	200.031876	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+3H"	3.021828
"1170914"	67.3488093333333	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+3H"	3.021828
"427989"	416.083023	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+NH4"	18.033823
"792995"	615.107623	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+NH4"	18.033823
"1684950"	217.058423	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+NH4"	18.033823
"333594"	208.5451495	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+H+NH4"	19.041099
"727110"	308.0574495	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+H+NH4"	19.041099
"1477187"	109.0328495	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H+NH4"	19.041099
"392870"	421.038418	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+Na"	22.989218
"759152"	620.063018	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+Na"	22.989218
"1609438"	222.013818	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Na"	22.989218
"328225"	211.022847	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+H+Na"	23.996494
"720288"	310.535147	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+H+Na"	23.996494
"1476296"	111.510547	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H+Na"	23.996494
"1065532"	74.6761233333333	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2H+Na"	25.00377
"1271951"	232.058086	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+CH3OH+H"	33.033486
"389065"	437.012358	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+K"	38.963158
"754171"	636.036958	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+K"	38.963158
"1555401"	237.987758	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+K"	38.963158
"314157"	219.009817	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+H+K"	39.970434
"703902"	318.522117	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+H+K"	39.970434
"1458815"	119.497517	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H+K"	39.970434
"249848"	440.083026	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+ACN+H"	42.033826
"1216844"	241.058426	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+ACN+H"	42.033826
"1198176"	121.032851	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+ACN+2H"	43.041102
"197973"	443.02036	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+2Na-H"	44.97116
"630606"	642.04496	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+2Na-H"	44.97116
"1135205"	243.99576	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2Na-H"	44.97116
"173755"	222.013818	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+2Na"	45.978436
"613923"	321.526118	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+2Na"	45.978436
"1118280"	122.501518	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2Na"	45.978436
"1401804"	82.0034373333333	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H+2Na"	46.985712
"1435380"	246.037346	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H+HCOOH"	47.012746
"226169"	227.04684	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+3H2O+2H"	56.04448
"1509125"	260.08939	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+IsoProp+H"	61.06479
"412820"	230.000788	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+Na+K"	61.952376
"774911"	329.513088	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+Na+K"	61.952376
"1670149"	130.488488	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Na+K"	61.952376
"264329"	462.064968	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+ACN+Na"	64.015768
"1233756"	263.040368	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+ACN+Na"	64.015768
"1722644"	263.063893	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+NH4+HCOOH"	64.039293
"1191647"	89.3307513333333	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+3Na"	68.967654
"1661904"	268.019288	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Na+HCOOH"	68.994688
"171317"	474.96824	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+2K-H"	76.91904
"608689"	673.99284	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+2K-H"	76.91904
"1097454"	275.94364	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2K-H"	76.91904
"153299"	237.987758	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"2M+2K"	77.926316
"595778"	337.500058	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"3M+2K"	77.926316
"1082720"	138.475458	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2K"	77.926316
"1111675"	277.958192	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2K+H"	78.933592
"1343686"	278.045807	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+DMSO+H"	79.021207
"1014403"	282.084976	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2ACN+H"	83.060376
"1530342"	283.078608	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+IsoProp+Na+H"	84.054008
"995696"	141.546126	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+2ACN+2H"	84.067652
"1591293"	283.993228	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+K+HCOOH"	84.968628
"1416953"	314.024738	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+H+CF3COOH"	115.000138
"1154896"	162.059401	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+3ACN+2H"	125.094202
"1705541"	331.051285	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+NH4+CF3COOH"	132.026685
"1641191"	336.00668	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+Na+CF3COOH"	136.98208
"1579033"	351.98062	"C12215"	"Iminoerythrose 4-phosphate;Imino-D-erythrose 4-phosphate"	"C4H10NO6P"	"199.0246"	"M+K+CF3COOH"	152.95602
"809404"	827.5044	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M"	0
"975644"	808.48601	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-H2O-H"	-19.01839
"67897"	550.662324	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M-3H"	-3.021828
"507457"	826.497124	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M-3H"	-3.021828
"888537"	274.827524	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-3H"	-3.021828
"4925"	826.497124	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M-2H"	-2.014552
"442298"	1240.249324	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M-2H"	-2.014552
"820099"	412.744924	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-2H"	-2.014552
"80090"	1654.001524	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M-H"	-1.007276
"520739"	2481.505924	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M-H"	-1.007276
"897817"	826.497124	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-H"	-1.007276
"48548"	1671.028071	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M-2H+NH4"	16.019271
"488231"	2498.532471	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M-2H+NH4"	16.019271
"865180"	843.523671	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-2H+NH4"	16.019271
"32837"	1675.983466	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M-2H+Na"	20.974666
"472763"	2503.487866	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M-2H+Na"	20.974666
"849353"	848.479066	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-2H+Na"	20.974666
"1623995"	848.479066	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Na-2H"	20.974666
"102712"	844.485463	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M-H+Cl"	33.962126
"548110"	1258.237663	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M-H+Cl"	33.962126
"942200"	430.733263	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-H+Cl"	33.962126
"282778"	1689.978202	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+Cl"	34.969402
"671146"	2517.482602	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+Cl"	34.969402
"1286710"	862.473802	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Cl"	34.969402
"29389"	1691.957406	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M-2H+K"	36.948606
"465667"	2519.461806	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M-2H+K"	36.948606
"838008"	864.453006	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-2H+K"	36.948606
"1558214"	864.453006	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+K-2H"	36.948606
"944636"	872.502594	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-H+HCOOH"	44.998194
"364311"	1700.007001	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+HCOOH-H"	44.998201
"349287"	1714.022651	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+Hac-H"	59.013851
"1500307"	886.518251	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Hac-H"	59.013851
"962382"	894.484551	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-H+NaCOOH"	66.980151
"115665"	862.473802	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+2Cl"	69.938804
"553038"	1276.226002	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+2Cl"	69.938804
"1026213"	448.721602	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2Cl"	69.938804
"1249073"	906.423285	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Br"	78.918885
"1316993"	908.479272	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Cl+HCOOH"	80.974872
"1331936"	930.461229	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Cl+NaCOOH"	102.956829
"923360"	940.489986	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M-H+CF3COOH"	112.985586
"1302989"	976.466664	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Cl+CF3COOH"	148.962264
"1381150"	792.491724	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H-2H2O"	-35.012676
"1395365"	810.5017	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H-H2O"	-17.0027
"295418"	1656.016076	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+H"	1.007276
"684556"	2483.520476	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+H"	1.007276
"1366372"	828.511676	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H"	1.007276
"129421"	828.511676	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+2H"	2.014552
"576636"	1242.263876	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+2H"	2.014552
"1045436"	414.759476	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2H"	2.014552
"218322"	552.676876	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+3H"	3.021828
"658245"	828.511676	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+3H"	3.021828
"1175398"	276.842076	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+3H"	3.021828
"432109"	1673.042623	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+NH4"	18.033823
"792377"	2500.547023	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+NH4"	18.033823
"1686520"	845.538223	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+NH4"	18.033823
"335892"	837.0249495	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+H+NH4"	19.041099
"729043"	1250.7771495	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+H+NH4"	19.041099
"1478849"	423.2727495	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H+NH4"	19.041099
"393154"	1677.998018	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+Na"	22.989218
"760355"	2505.502418	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+Na"	22.989218
"1609548"	850.493618	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Na"	22.989218
"328214"	839.502647	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+H+Na"	23.996494
"720035"	1253.254847	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+H+Na"	23.996494
"1472394"	425.750447	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H+Na"	23.996494
"1063454"	284.16939	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2H+Na"	25.00377
"1270600"	860.537886	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+CH3OH+H"	33.033486
"390996"	1693.971958	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+K"	38.963158
"749076"	2521.476358	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+K"	38.963158
"1553319"	866.467558	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+K"	38.963158
"312682"	847.489617	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+H+K"	39.970434
"705106"	1261.241817	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+H+K"	39.970434
"1460264"	433.737417	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H+K"	39.970434
"248985"	1697.042626	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+ACN+H"	42.033826
"1219142"	869.538226	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+ACN+H"	42.033826
"1199015"	435.272751	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+ACN+2H"	43.041102
"198082"	1699.97996	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+2Na-H"	44.97116
"633632"	2527.48436	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+2Na-H"	44.97116
"1135315"	872.47556	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2Na-H"	44.97116
"177511"	850.493618	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+2Na"	45.978436
"615978"	1264.245818	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+2Na"	45.978436
"1117297"	436.741418	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2Na"	45.978436
"1401914"	291.496704	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H+2Na"	46.985712
"1440593"	874.517146	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H+HCOOH"	47.012746
"220280"	855.52664	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+3H2O+2H"	56.04448
"1510085"	888.56919	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+IsoProp+H"	61.06479
"412202"	858.480588	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+Na+K"	61.952376
"773928"	1272.232788	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+Na+K"	61.952376
"1668072"	444.728388	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Na+K"	61.952376
"264439"	1719.024568	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+ACN+Na"	64.015768
"1236052"	891.520168	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+ACN+Na"	64.015768
"1726400"	891.543693	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+NH4+HCOOH"	64.039293
"1189205"	298.824018	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+3Na"	68.967654
"1662018"	896.499088	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Na+HCOOH"	68.994688
"171066"	1731.92784	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+2K-H"	76.91904
"610628"	2559.43224	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+2K-H"	76.91904
"1094405"	904.42344	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2K-H"	76.91904
"153408"	866.467558	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"2M+2K"	77.926316
"594430"	1280.219758	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"3M+2K"	77.926316
"1081495"	452.715358	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2K"	77.926316
"1112516"	906.437992	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2K+H"	78.933592
"1345984"	906.525607	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+DMSO+H"	79.021207
"1007954"	910.564776	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2ACN+H"	83.060376
"1527173"	911.558408	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+IsoProp+Na+H"	84.054008
"990462"	455.786026	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+2ACN+2H"	84.067652
"1588123"	912.473028	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+K+HCOOH"	84.968628
"1421438"	942.504538	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+H+CF3COOH"	115.000138
"1155006"	476.299301	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+3ACN+2H"	125.094202
"1704557"	959.531085	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+NH4+CF3COOH"	132.026685
"1644582"	964.48648	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+Na+CF3COOH"	136.98208
"1579143"	980.46042	"C12216"	"Mycobactin S"	"C44H69N5O10"	"827.5044"	"M+K+CF3COOH"	152.95602
"812794"	133.9442	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M"	0
"975390"	114.92581	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-H2O-H"	-19.01839
"69100"	88.2888573333333	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M-3H"	-3.021828
"510847"	132.936924	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M-3H"	-3.021828
"890833"	43.6407906666667	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-3H"	-3.021828
"5035"	132.936924	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M-2H"	-2.014552
"442407"	199.909024	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M-2H"	-2.014552
"820209"	65.964824	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-2H"	-2.014552
"80200"	266.881124	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M-H"	-1.007276
"519757"	400.825324	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M-H"	-1.007276
"897925"	132.936924	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-H"	-1.007276
"49751"	283.907671	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M-2H+NH4"	16.019271
"491496"	417.851871	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M-2H+NH4"	16.019271
"870388"	149.963471	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-2H+NH4"	16.019271
"35376"	288.863066	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M-2H+Na"	20.974666
"473845"	422.807266	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M-2H+Na"	20.974666
"849704"	154.918866	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-2H+Na"	20.974666
"1624105"	154.918866	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Na-2H"	20.974666
"99537"	150.925263	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M-H+Cl"	33.962126
"547855"	217.897363	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M-H+Cl"	33.962126
"941987"	83.953163	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-H+Cl"	33.962126
"281756"	302.857802	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+Cl"	34.969402
"669069"	436.802002	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+Cl"	34.969402
"1285847"	168.913602	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Cl"	34.969402
"28405"	304.837006	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M-2H+K"	36.948606
"465778"	438.781206	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M-2H+K"	36.948606
"839211"	170.892806	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-2H+K"	36.948606
"1561604"	170.892806	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+K-2H"	36.948606
"945475"	178.942394	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-H+HCOOH"	44.998194
"363691"	312.886601	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+HCOOH-H"	44.998201
"349759"	326.902251	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+Hac-H"	59.013851
"1502603"	192.958051	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Hac-H"	59.013851
"965770"	200.924351	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-H+NaCOOH"	66.980151
"116867"	168.913602	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+2Cl"	69.938804
"556429"	235.885702	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+2Cl"	69.938804
"1026323"	101.941502	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2Cl"	69.938804
"1244076"	212.863085	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Br"	78.918885
"1314915"	214.919072	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Cl+HCOOH"	80.974872
"1329130"	236.901029	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Cl+NaCOOH"	102.956829
"924562"	246.929786	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M-H+CF3COOH"	112.985586
"1301274"	282.906464	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Cl+CF3COOH"	148.962264
"1381623"	98.931524	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H-2H2O"	-35.012676
"1398028"	116.9415	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H-H2O"	-17.0027
"293340"	268.895676	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+H"	1.007276
"690866"	402.839876	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+H"	1.007276
"1364298"	134.951476	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H"	1.007276
"130625"	134.951476	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+2H"	2.014552
"576746"	201.923576	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+2H"	2.014552
"1042265"	67.979376	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2H"	2.014552
"217821"	90.3034093333333	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+3H"	3.021828
"653007"	134.951476	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+3H"	3.021828
"1174414"	45.6553426666667	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+3H"	3.021828
"435499"	285.922223	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+NH4"	18.033823
"792122"	419.866423	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+NH4"	18.033823
"1686630"	151.978023	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+NH4"	18.033823
"337824"	143.4647495	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+H+NH4"	19.041099
"731339"	210.4368495	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+H+NH4"	19.041099
"1481146"	76.4926495	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H+NH4"	19.041099
"395090"	290.877618	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+Na"	22.989218
"760465"	424.821818	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+Na"	22.989218
"1609658"	156.933418	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Na"	22.989218
"328445"	145.942447	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+H+Na"	23.996494
"721239"	212.914547	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+H+Na"	23.996494
"1474326"	78.970347	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H+Na"	23.996494
"1066845"	52.9826566666667	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2H+Na"	25.00377
"1269984"	166.977686	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+CH3OH+H"	33.033486
"389283"	306.851558	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+K"	38.963158
"752103"	440.795758	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+K"	38.963158
"1553795"	172.907358	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+K"	38.963158
"310602"	153.929417	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+H+K"	39.970434
"705826"	220.901517	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+H+K"	39.970434
"1459403"	86.957317	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H+K"	39.970434
"248365"	309.922226	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+ACN+H"	42.033826
"1219252"	175.978026	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+ACN+H"	42.033826
"1198759"	88.492651	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+ACN+2H"	43.041102
"198191"	312.85956	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+2Na-H"	44.97116
"633744"	446.80376	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+2Na-H"	44.97116
"1132145"	178.91536	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2Na-H"	44.97116
"179444"	156.933418	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+2Na"	45.978436
"619735"	223.905518	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+2Na"	45.978436
"1117407"	89.961318	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2Na"	45.978436
"1400565"	60.3099706666667	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H+2Na"	46.985712
"1438880"	180.956946	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H+HCOOH"	47.012746
"220312"	161.96644	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+3H2O+2H"	56.04448
"1516636"	195.00899	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+IsoProp+H"	61.06479
"411219"	164.920388	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+Na+K"	61.952376
"774038"	231.892488	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+Na+K"	61.952376
"1667089"	97.948288	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Na+K"	61.952376
"264548"	331.904168	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+ACN+Na"	64.015768
"1235068"	197.959968	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+ACN+Na"	64.015768
"1723956"	197.983493	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+NH4+HCOOH"	64.039293
"1190408"	67.6372846666667	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+3Na"	68.967654
"1661397"	202.938888	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Na+HCOOH"	68.994688
"171176"	344.80744	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+2K-H"	76.91904
"610734"	478.75164	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+2K-H"	76.91904
"1094513"	210.86324	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2K-H"	76.91904
"153516"	172.907358	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"2M+2K"	77.926316
"591986"	239.879458	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"3M+2K"	77.926316
"1079779"	105.935258	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2K"	77.926316
"1112988"	212.877792	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2K+H"	78.933592
"1346824"	212.965407	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+DMSO+H"	79.021207
"1010251"	217.004576	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2ACN+H"	83.060376
"1528376"	217.998208	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+IsoProp+Na+H"	84.054008
"993732"	109.005926	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+2ACN+2H"	84.067652
"1588597"	218.912828	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+K+HCOOH"	84.968628
"1420455"	248.944338	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+H+CF3COOH"	115.000138
"1154023"	129.519201	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+3ACN+2H"	125.094202
"1703574"	265.970885	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+NH4+CF3COOH"	132.026685
"1641412"	270.92628	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+Na+CF3COOH"	136.98208
"1579253"	286.90022	"C12217"	"Fe(CN)3;Ferric cyanide;Iron cyanide (Fe(CN)3)"	"C3FeN3"	"133.9442"	"M+K+CF3COOH"	152.95602
"815091"	107.9411	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M"	0
"976594"	88.92271	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-H2O-H"	-19.01839
"69211"	70.9534573333333	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M-3H"	-3.021828
"513144"	106.933824	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M-3H"	-3.021828
"890945"	34.9730906666667	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-3H"	-3.021828
"8425"	106.933824	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M-2H"	-2.014552
"443974"	160.904374	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M-2H"	-2.014552
"823599"	52.963274	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-2H"	-2.014552
"80065"	214.874924	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M-H"	-1.007276
"520597"	322.816024	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M-H"	-1.007276
"898766"	106.933824	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-H"	-1.007276
"51318"	231.901471	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M-2H+NH4"	16.019271
"491971"	339.842571	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M-2H+NH4"	16.019271
"868312"	123.960371	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-2H+NH4"	16.019271
"35485"	236.856866	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M-2H+Na"	20.974666
"474319"	344.797966	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M-2H+Na"	20.974666
"850661"	128.915766	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-2H+Na"	20.974666
"1624216"	128.915766	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Na-2H"	20.974666
"101836"	124.922163	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M-H+Cl"	33.962126
"547965"	178.892713	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M-H+Cl"	33.962126
"942500"	70.951613	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-H+Cl"	33.962126
"282472"	250.851602	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+Cl"	34.969402
"670273"	358.792702	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+Cl"	34.969402
"1284863"	142.910502	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Cl"	34.969402
"27421"	252.830806	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M-2H+K"	36.948606
"469167"	360.771906	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M-2H+K"	36.948606
"844783"	144.889706	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-2H+K"	36.948606
"1560621"	144.889706	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+K-2H"	36.948606
"949598"	152.939294	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-H+HCOOH"	44.998194
"367810"	260.880401	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+HCOOH-H"	44.998201
"352791"	274.896051	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+Hac-H"	59.013851
"1500524"	166.954951	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Hac-H"	59.013851
"966974"	174.921251	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-H+NaCOOH"	66.980151
"115881"	142.910502	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+2Cl"	69.938804
"555445"	196.881052	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+2Cl"	69.938804
"1025341"	88.939952	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2Cl"	69.938804
"1247104"	186.859985	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Br"	78.918885
"1311745"	188.915972	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Cl+HCOOH"	80.974872
"1329240"	210.897929	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Cl+NaCOOH"	102.956829
"919204"	220.926686	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M-H+CF3COOH"	112.985586
"1301384"	256.903364	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Cl+CF3COOH"	148.962264
"1379183"	72.928424	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H-2H2O"	-35.012676
"1395950"	90.9384	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H-H2O"	-17.0027
"292357"	216.889476	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+H"	1.007276
"688060"	324.830576	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+H"	1.007276
"1363315"	108.948376	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H"	1.007276
"136202"	108.948376	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+2H"	2.014552
"572482"	162.918926	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+2H"	2.014552
"1040550"	54.977826	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2H"	2.014552
"216837"	72.9680093333333	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+3H"	3.021828
"653117"	108.948376	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+3H"	3.021828
"1174524"	36.9876426666667	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+3H"	3.021828
"427955"	233.916023	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+NH4"	18.033823
"791140"	341.857123	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+NH4"	18.033823
"1687469"	125.974923	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+NH4"	18.033823
"337935"	117.4616495	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+H+NH4"	19.041099
"728169"	171.4321995	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+H+NH4"	19.041099
"1477731"	63.4910995	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H+NH4"	19.041099
"396295"	238.871418	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+Na"	22.989218
"760575"	346.812518	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+Na"	22.989218
"1609768"	130.930318	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Na"	22.989218
"328555"	119.939347	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+H+Na"	23.996494
"722197"	173.909897	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+H+Na"	23.996494
"1472613"	65.968797	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H+Na"	23.996494
"1065861"	44.3149566666667	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2H+Na"	25.00377
"1270822"	140.974586	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+CH3OH+H"	33.033486
"389393"	254.845358	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+K"	38.963158
"752216"	362.786458	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+K"	38.963158
"1555363"	146.904258	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+K"	38.963158
"310348"	127.926317	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+H+K"	39.970434
"705690"	181.896867	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+H+K"	39.970434
"1460242"	73.955767	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H+K"	39.970434
"247746"	257.916026	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+ACN+H"	42.033826
"1220454"	149.974926	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+ACN+H"	42.033826
"1198505"	75.491101	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+ACN+2H"	43.041102
"198301"	260.85336	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+2Na-H"	44.97116
"629110"	368.79446	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+2Na-H"	44.97116
"1135171"	152.91226	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2Na-H"	44.97116
"177733"	130.930318	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+2Na"	45.978436
"619845"	184.900868	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+2Na"	45.978436
"1121164"	76.959768	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2Na"	45.978436
"1403595"	51.6422706666667	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H+2Na"	46.985712
"1441178"	154.953846	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H+HCOOH"	47.012746
"227593"	135.96334	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+3H2O+2H"	56.04448
"1513467"	169.00589	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+IsoProp+H"	61.06479
"411693"	138.917288	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+Na+K"	61.952376
"774148"	192.887838	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+Na+K"	61.952376
"1667199"	84.946738	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Na+K"	61.952376
"266482"	279.897968	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+ACN+Na"	64.015768
"1237365"	171.956868	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+ACN+Na"	64.015768
"1724066"	171.980393	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+NH4+HCOOH"	64.039293
"1188332"	58.9695846666667	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+3Na"	68.967654
"1660778"	176.935788	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Na+HCOOH"	68.994688
"168370"	292.80124	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+2K-H"	76.91904
"608657"	400.74234	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+2K-H"	76.91904
"1094623"	184.86014	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2K-H"	76.91904
"150346"	146.904258	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"2M+2K"	77.926316
"591003"	200.874808	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"3M+2K"	77.926316
"1078796"	92.933708	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2K"	77.926316
"1109818"	186.874692	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2K+H"	78.933592
"1348029"	186.962307	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+DMSO+H"	79.021207
"1016921"	191.001476	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2ACN+H"	83.060376
"1527393"	191.995108	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+IsoProp+Na+H"	84.054008
"991655"	96.004376	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+2ACN+2H"	84.067652
"1587614"	192.909728	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+K+HCOOH"	84.968628
"1420565"	222.941238	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+H+CF3COOH"	115.000138
"1155227"	116.517651	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+3ACN+2H"	125.094202
"1709151"	239.967785	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+NH4+CF3COOH"	132.026685
"1641522"	244.92318	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+Na+CF3COOH"	136.98208
"1579363"	260.89712	"C12218"	"Fe(CN)2;Iron cyanide (Fe(CN)2)"	"C2FeN2"	"107.9411"	"M+K+CF3COOH"	152.95602
"814108"	882.2556	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M"	0
"983265"	863.23721	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-H2O-H"	-19.01839
"70416"	587.163124	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M-3H"	-3.021828
"516536"	881.248324	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M-3H"	-3.021828
"893243"	293.077924	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-3H"	-3.021828
"15099"	881.248324	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M-2H"	-2.014552
"449189"	1322.376124	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M-2H"	-2.014552
"825897"	440.120524	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-2H"	-2.014552
"79001"	1763.503924	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M-H"	-1.007276
"518600"	2645.759524	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M-H"	-1.007276
"898147"	881.248324	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-H"	-1.007276
"52157"	1780.530471	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M-2H+NH4"	16.019271
"494997"	2662.786071	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M-2H+NH4"	16.019271
"865506"	898.274871	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-2H+NH4"	16.019271
"32681"	1785.485866	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M-2H+Na"	20.974666
"473336"	2667.741466	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M-2H+Na"	20.974666
"849680"	903.230266	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-2H+Na"	20.974666
"1624326"	903.230266	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Na-2H"	20.974666
"100853"	899.236663	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M-H+Cl"	33.962126
"540415"	1340.364463	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M-H+Cl"	33.962126
"942747"	458.108863	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-H+Cl"	33.962126
"282745"	1799.480602	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+Cl"	34.969402
"673299"	2681.736202	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+Cl"	34.969402
"1282785"	917.225002	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Cl"	34.969402
"29718"	1801.459806	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M-2H+K"	36.948606
"469277"	2683.715406	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M-2H+K"	36.948606
"841612"	919.204206	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-2H+K"	36.948606
"1566196"	919.204206	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+K-2H"	36.948606
"949705"	927.253794	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-H+HCOOH"	44.998194
"367920"	1809.509401	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+HCOOH-H"	44.998201
"355085"	1823.525051	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+Hac-H"	59.013851
"1498448"	941.269451	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Hac-H"	59.013851
"964897"	949.235751	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-H+NaCOOH"	66.980151
"113805"	917.225002	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+2Cl"	69.938804
"555556"	1358.352802	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+2Cl"	69.938804
"1026544"	476.097202	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2Cl"	69.938804
"1246120"	961.174485	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Br"	78.918885
"1311855"	963.230472	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Cl+HCOOH"	80.974872
"1327163"	985.212429	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Cl+NaCOOH"	102.956829
"919314"	995.241186	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M-H+CF3COOH"	112.985586
"1301494"	1031.217864	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Cl+CF3COOH"	148.962264
"1380751"	847.242924	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H-2H2O"	-35.012676
"1397155"	865.2529	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H-H2O"	-17.0027
"290280"	1765.518476	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+H"	1.007276
"685983"	2647.774076	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+H"	1.007276
"1363424"	883.262876	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H"	1.007276
"136312"	883.262876	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+2H"	2.014552
"571499"	1324.390676	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+2H"	2.014552
"1040660"	442.135076	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2H"	2.014552
"214760"	589.177676	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+3H"	3.021828
"655414"	883.262876	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+3H"	3.021828
"1173539"	295.092476	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+3H"	3.021828
"428793"	1782.545023	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+NH4"	18.033823
"792707"	2664.800623	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+NH4"	18.033823
"1688672"	900.289423	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+NH4"	18.033823
"339138"	891.7761495	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+H+NH4"	19.041099
"728279"	1332.9039495	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+H+NH4"	19.041099
"1478087"	450.6483495	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H+NH4"	19.041099
"396039"	1787.500418	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+Na"	22.989218
"760685"	2669.756018	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+Na"	22.989218
"1605502"	905.244818	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Na"	22.989218
"327942"	894.253847	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+H+Na"	23.996494
"719996"	1335.381647	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+H+Na"	23.996494
"1469444"	453.126047	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H+Na"	23.996494
"1067064"	302.41979	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2H+Na"	25.00377
"1269840"	915.289086	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+CH3OH+H"	33.033486
"388410"	1803.474358	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+K"	38.963158
"751228"	2685.729958	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+K"	38.963158
"1554744"	921.218758	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+K"	38.963158
"310822"	902.240817	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+H+K"	39.970434
"706164"	1343.368617	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+H+K"	39.970434
"1461001"	461.113017	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H+K"	39.970434
"248221"	1806.545026	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+ACN+H"	42.033826
"1224698"	924.289426	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+ACN+H"	42.033826
"1201168"	462.648351	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+ACN+2H"	43.041102
"197318"	1809.48236	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+2Na-H"	44.97116
"628973"	2691.73796	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+2Na-H"	44.97116
"1132485"	927.22676	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2Na-H"	44.97116
"177115"	905.244818	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+2Na"	45.978436
"615216"	1346.372618	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+2Na"	45.978436
"1118115"	464.117018	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2Na"	45.978436
"1399813"	309.747104	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H+2Na"	46.985712
"1441286"	929.268346	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H+HCOOH"	47.012746
"228796"	910.27784	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+3H2O+2H"	56.04448
"1511390"	943.32039	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+IsoProp+H"	61.06479
"409982"	913.231788	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+Na+K"	61.952376
"774258"	1354.359588	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+Na+K"	61.952376
"1667672"	472.103988	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Na+K"	61.952376
"266876"	1828.526968	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+ACN+Na"	64.015768
"1235288"	946.271368	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+ACN+Na"	64.015768
"1723082"	946.294893	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+NH4+HCOOH"	64.039293
"1190629"	317.074418	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+3Na"	68.967654
"1661616"	951.250288	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Na+HCOOH"	68.994688
"168114"	1841.43024	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+2K-H"	76.91904
"608402"	2723.68584	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+2K-H"	76.91904
"1094733"	959.17464	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2K-H"	76.91904
"144988"	921.218758	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"2M+2K"	77.926316
"591109"	1362.346558	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"3M+2K"	77.926316
"1078906"	480.090958	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2K"	77.926316
"1108834"	961.189192	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2K+H"	78.933592
"1347042"	961.276807	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+DMSO+H"	79.021207
"1017031"	965.315976	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2ACN+H"	83.060376
"1536615"	966.309608	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+IsoProp+Na+H"	84.054008
"992858"	483.161626	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+2ACN+2H"	84.067652
"1587844"	967.224228	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+K+HCOOH"	84.968628
"1419581"	997.255738	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+H+CF3COOH"	115.000138
"1155337"	503.674901	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+3ACN+2H"	125.094202
"1709261"	1014.282285	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+NH4+CF3COOH"	132.026685
"1641632"	1019.23768	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+Na+CF3COOH"	136.98208
"1579473"	1035.21162	"C12219"	"Corynebactin;Bacillibactin"	"C39H42N6O18"	"882.2556"	"M+K+CF3COOH"	152.95602
"816285"	404.1584	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M"	0
"981189"	385.14001	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-H2O-H"	-19.01839
"74901"	268.431657333333	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M-3H"	-3.021828
"514459"	403.151124	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M-3H"	-3.021828
"893963"	133.712190666667	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-3H"	-3.021828
"14965"	403.151124	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M-2H"	-2.014552
"446020"	605.230324	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M-2H"	-2.014552
"822728"	201.071924	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-2H"	-2.014552
"82352"	807.309524	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M-H"	-1.007276
"521548"	1211.467924	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M-H"	-1.007276
"903360"	403.151124	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-H"	-1.007276
"53361"	824.336071	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M-2H+NH4"	16.019271
"495107"	1228.494471	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M-2H+NH4"	16.019271
"866346"	420.177671	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-2H+NH4"	16.019271
"33879"	829.291466	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M-2H+Na"	20.974666
"473446"	1233.449866	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M-2H+Na"	20.974666
"849101"	425.133066	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-2H+Na"	20.974666
"1623343"	425.133066	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Na-2H"	20.974666
"100963"	421.139463	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M-H+Cl"	33.962126
"542712"	623.218663	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M-H+Cl"	33.962126
"942515"	219.060263	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-H+Cl"	33.962126
"282761"	843.286202	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+Cl"	34.969402
"670492"	1247.444602	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+Cl"	34.969402
"1278522"	439.127802	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Cl"	34.969402
"27641"	845.265406	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M-2H+K"	36.948606
"466836"	1249.423806	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M-2H+K"	36.948606
"836619"	441.107006	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-2H+K"	36.948606
"1566307"	441.107006	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+K-2H"	36.948606
"952002"	449.156594	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-H+HCOOH"	44.998194
"368030"	853.315001	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+HCOOH-H"	44.998201
"351916"	867.330651	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+Hac-H"	59.013851
"1500746"	463.172251	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Hac-H"	59.013851
"960998"	471.138551	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-H+NaCOOH"	66.980151
"115008"	439.127802	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+2Cl"	69.938804
"555666"	641.207002	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+2Cl"	69.938804
"1026654"	237.048602	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2Cl"	69.938804
"1246230"	483.077285	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Br"	78.918885
"1314152"	485.133272	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Cl+HCOOH"	80.974872
"1329459"	507.115229	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Cl+NaCOOH"	102.956829
"919424"	517.143986	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M-H+CF3COOH"	112.985586
"1301604"	553.120664	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Cl+CF3COOH"	148.962264
"1381588"	369.145724	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H-2H2O"	-35.012676
"1397261"	387.1557	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H-H2O"	-17.0027
"291484"	809.324076	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+H"	1.007276
"689374"	1213.482476	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+H"	1.007276
"1363534"	405.165676	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H"	1.007276
"138610"	405.165676	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+2H"	2.014552
"572702"	607.244876	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+2H"	2.014552
"1040407"	203.086476	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2H"	2.014552
"214870"	270.446209333333	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+3H"	3.021828
"649691"	405.165676	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+3H"	3.021828
"1171463"	135.726742666667	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+3H"	3.021828
"430362"	826.350623	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+NH4"	18.033823
"789535"	1230.509023	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+NH4"	18.033823
"1683677"	422.192223	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+NH4"	18.033823
"335967"	413.6789495	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+H+NH4"	19.041099
"727659"	615.7581495	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+H+NH4"	19.041099
"1481478"	211.5997495	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H+NH4"	19.041099
"395418"	831.306018	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+Na"	22.989218
"760795"	1235.464418	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+Na"	22.989218
"1605612"	427.147618	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Na"	22.989218
"327686"	416.156647	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+H+Na"	23.996494
"717919"	618.235847	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+H+Na"	23.996494
"1470647"	214.077447	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H+Na"	23.996494
"1066446"	143.054056666667	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2H+Na"	25.00377
"1269581"	437.191886	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+CH3OH+H"	33.033486
"386333"	847.279958	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+K"	38.963158
"750245"	1251.438358	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+K"	38.963158
"1551569"	443.121558	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+K"	38.963158
"307650"	424.143617	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+H+K"	39.970434
"707044"	626.222817	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+H+K"	39.970434
"1461031"	222.064417	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H+K"	39.970434
"248331"	850.350626	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+ACN+H"	42.033826
"1224974"	446.192226	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+ACN+H"	42.033826
"1203465"	223.599751	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+ACN+2H"	43.041102
"197428"	853.28796	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+2Na-H"	44.97116
"630428"	1257.44636	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+2Na-H"	44.97116
"1135027"	449.12956	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2Na-H"	44.97116
"177225"	427.147618	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+2Na"	45.978436
"617511"	629.226818	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+2Na"	45.978436
"1118468"	225.068418	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2Na"	45.978436
"1400897"	150.381370666667	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H+2Na"	46.985712
"1442855"	451.171146	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H+HCOOH"	47.012746
"227813"	432.18064	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+3H2O+2H"	56.04448
"1512593"	465.22319	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+IsoProp+H"	61.06479
"411550"	435.134588	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+Na+K"	61.952376
"773275"	637.213788	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+Na+K"	61.952376
"1670699"	233.055388	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Na+K"	61.952376
"267055"	872.332568	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+ACN+Na"	64.015768
"1235398"	468.174168	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+ACN+Na"	64.015768
"1726474"	468.197693	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+NH4+HCOOH"	64.039293
"1190737"	157.708684666667	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+3Na"	68.967654
"1660633"	473.153088	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Na+HCOOH"	68.994688
"169682"	885.23584	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+2K-H"	76.91904
"603771"	1289.39424	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+2K-H"	76.91904
"1093749"	481.07744	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2K-H"	76.91904
"147284"	443.121558	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"2M+2K"	77.926316
"591219"	645.200758	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"3M+2K"	77.926316
"1075731"	241.042358	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2K"	77.926316
"1106757"	483.091992	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2K+H"	78.933592
"1345329"	483.179607	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+DMSO+H"	79.021207
"1017506"	487.218776	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2ACN+H"	83.060376
"1536725"	488.212408	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+IsoProp+Na+H"	84.054008
"992968"	244.113026	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+2ACN+2H"	84.067652
"1590750"	489.127028	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+K+HCOOH"	84.968628
"1420785"	519.158538	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+H+CF3COOH"	115.000138
"1156540"	264.626301	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+3ACN+2H"	125.094202
"1709371"	536.185085	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+NH4+CF3COOH"	132.026685
"1641742"	541.14048	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+Na+CF3COOH"	136.98208
"1579583"	557.11442	"C12220"	"Myxochelin A"	"C20H24N2O7"	"404.1584"	"M+K+CF3COOH"	152.95602
"815423"	403.1743	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M"	0
"980206"	384.15591	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-H2O-H"	-19.01839
"75011"	267.775590666667	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M-3H"	-3.021828
"514569"	402.167024	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M-3H"	-3.021828
"893830"	133.384157333333	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-3H"	-3.021828
"14224"	402.167024	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M-2H"	-2.014552
"449410"	603.754174	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M-2H"	-2.014552
"820652"	200.579874	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-2H"	-2.014552
"81734"	805.341324	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M-H"	-1.007276
"521294"	1208.515624	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M-H"	-1.007276
"900191"	402.167024	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-H"	-1.007276
"52378"	822.367871	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M-2H+NH4"	16.019271
"494124"	1225.542171	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M-2H+NH4"	16.019271
"866454"	419.193571	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-2H+NH4"	16.019271
"33989"	827.323266	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M-2H+Na"	20.974666
"471647"	1230.497566	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M-2H+Na"	20.974666
"848599"	424.148966	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-2H+Na"	20.974666
"1627826"	424.148966	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Na-2H"	20.974666
"96698"	420.155363	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M-H+Cl"	33.962126
"544281"	621.742513	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M-H+Cl"	33.962126
"937796"	218.568213	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-H+Cl"	33.962126
"280364"	841.318002	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+Cl"	34.969402
"671329"	1244.492302	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+Cl"	34.969402
"1281912"	438.143702	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Cl"	34.969402
"23377"	843.297206	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M-2H+K"	36.948606
"464394"	1246.471506	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M-2H+K"	36.948606
"836729"	440.122906	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-2H+K"	36.948606
"1565324"	440.122906	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+K-2H"	36.948606
"951019"	448.172494	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-H+HCOOH"	44.998194
"367047"	851.346801	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+HCOOH-H"	44.998201
"353119"	865.362451	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+Hac-H"	59.013851
"1499763"	462.188151	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Hac-H"	59.013851
"964024"	470.154451	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-H+NaCOOH"	66.980151
"112932"	438.143702	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+2Cl"	69.938804
"559056"	639.730852	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+2Cl"	69.938804
"1026764"	236.556552	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2Cl"	69.938804
"1243788"	482.093185	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Br"	78.918885
"1316449"	484.149172	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Cl+HCOOH"	80.974872
"1329570"	506.131129	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Cl+NaCOOH"	102.956829
"919534"	516.159886	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M-H+CF3COOH"	112.985586
"1297341"	552.136564	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Cl+CF3COOH"	148.962264
"1380240"	368.161624	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H-2H2O"	-35.012676
"1396278"	386.1716	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H-H2O"	-17.0027
"291594"	807.355876	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+H"	1.007276
"688390"	1210.530176	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+H"	1.007276
"1363644"	404.181576	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H"	1.007276
"133253"	404.181576	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+2H"	2.014552
"568071"	605.768726	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+2H"	2.014552
"1040515"	202.594426	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2H"	2.014552
"208419"	269.790142666667	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+3H"	3.021828
"650166"	404.181576	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+3H"	3.021828
"1167198"	135.398709333333	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+3H"	3.021828
"428284"	824.382423	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+NH4"	18.033823
"786728"	1227.556723	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+NH4"	18.033823
"1681965"	421.208123	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+NH4"	18.033823
"330608"	412.6948495	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+H+NH4"	19.041099
"726310"	614.2819995	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+H+NH4"	19.041099
"1477575"	211.1076995	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H+NH4"	19.041099
"395895"	829.337818	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+Na"	22.989218
"760905"	1232.512118	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+Na"	22.989218
"1604629"	426.163518	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Na"	22.989218
"327070"	415.172547	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+H+Na"	23.996494
"718029"	616.759697	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+H+Na"	23.996494
"1472944"	213.585397	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H+Na"	23.996494
"1064008"	142.726023333333	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2H+Na"	25.00377
"1268966"	436.207786	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+CH3OH+H"	33.033486
"386443"	845.311758	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+K"	38.963158
"751814"	1248.486058	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+K"	38.963158
"1551679"	442.137458	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+K"	38.963158
"308854"	423.159517	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+H+K"	39.970434
"706266"	624.746667	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+H+K"	39.970434
"1460979"	221.572367	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H+K"	39.970434
"248441"	848.382426	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+ACN+H"	42.033826
"1222609"	445.208126	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+ACN+H"	42.033826
"1201387"	223.107701	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+ACN+2H"	43.041102
"197538"	851.31976	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+2Na-H"	44.97116
"629810"	1254.49406	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+2Na-H"	44.97116
"1134045"	448.14546	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2Na-H"	44.97116
"177335"	426.163518	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+2Na"	45.978436
"615072"	627.750668	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+2Na"	45.978436
"1121494"	224.576368	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2Na"	45.978436
"1402831"	150.053337333333	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H+2Na"	46.985712
"1443694"	450.187046	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H+HCOOH"	47.012746
"227923"	431.19654	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+3H2O+2H"	56.04448
"1513797"	464.23909	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+IsoProp+H"	61.06479
"411296"	434.150488	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+Na+K"	61.952376
"771561"	635.737638	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+Na+K"	61.952376
"1667893"	232.563338	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Na+K"	61.952376
"264988"	870.364368	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+ACN+Na"	64.015768
"1235508"	467.190068	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+ACN+Na"	64.015768
"1726584"	467.213593	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+NH4+HCOOH"	64.039293
"1185378"	157.380651333333	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+3Na"	68.967654
"1656365"	472.168988	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Na+HCOOH"	68.994688
"168331"	883.26764	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+2K-H"	76.91904
"604973"	1286.44194	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+2K-H"	76.91904
"1094952"	480.09334	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2K-H"	76.91904
"148488"	442.137458	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"2M+2K"	77.926316
"590235"	643.724608	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"3M+2K"	77.926316
"1075841"	240.550308	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2K"	77.926316
"1110147"	482.107892	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2K+H"	78.933592
"1346533"	482.195507	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+DMSO+H"	79.021207
"1018712"	486.234676	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2ACN+H"	83.060376
"1536835"	487.228308	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+IsoProp+Na+H"	84.054008
"995265"	243.620976	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+2ACN+2H"	84.067652
"1589767"	488.142928	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+K+HCOOH"	84.968628
"1424175"	518.174438	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+H+CF3COOH"	115.000138
"1158837"	264.134251	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+3ACN+2H"	125.094202
"1709481"	535.200985	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+NH4+CF3COOH"	132.026685
"1641852"	540.15638	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+Na+CF3COOH"	136.98208
"1579693"	556.13032	"C12221"	"Myxochelin B"	"C20H25N3O6"	"403.1743"	"M+K+CF3COOH"	152.95602
"816674"	347.0794	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M"	0
"988701"	328.06101	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-H2O-H"	-19.01839
"78202"	230.378990666667	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M-3H"	-3.021828
"516866"	346.072124	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M-3H"	-3.021828
"894425"	114.685857333333	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-3H"	-3.021828
"13241"	346.072124	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M-2H"	-2.014552
"449520"	519.611824	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M-2H"	-2.014552
"821855"	172.532424	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-2H"	-2.014552
"81844"	693.151524	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M-H"	-1.007276
"520675"	1040.230924	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M-H"	-1.007276
"900301"	346.072124	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-H"	-1.007276
"50301"	710.178071	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M-2H+NH4"	16.019271
"492047"	1057.257471	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M-2H+NH4"	16.019271
"867291"	363.098671	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-2H+NH4"	16.019271
"36651"	715.133466	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M-2H+Na"	20.974666
"473053"	1062.212866	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M-2H+Na"	20.974666
"849278"	368.054066	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-2H+Na"	20.974666
"1627936"	368.054066	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Na-2H"	20.974666
"98994"	364.060463	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M-H+Cl"	33.962126
"544027"	537.600163	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M-H+Cl"	33.962126
"941067"	190.520763	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-H+Cl"	33.962126
"280838"	729.128202	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+Cl"	34.969402
"675214"	1076.207602	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+Cl"	34.969402
"1287247"	382.048802	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Cl"	34.969402
"23486"	731.107406	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M-2H+K"	36.948606
"461951"	1078.186806	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M-2H+K"	36.948606
"835378"	384.028006	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-2H+K"	36.948606
"1565432"	384.028006	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+K-2H"	36.948606
"951130"	392.077594	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-H+HCOOH"	44.998194
"368250"	739.157001	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+HCOOH-H"	44.998201
"351044"	753.172651	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+Hac-H"	59.013851
"1500968"	406.093251	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Hac-H"	59.013851
"964133"	414.059551	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-H+NaCOOH"	66.980151
"117415"	382.048802	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+2Cl"	69.938804
"552969"	555.588502	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+2Cl"	69.938804
"1027967"	208.509102	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2Cl"	69.938804
"1245721"	425.998285	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Br"	78.918885
"1316559"	428.054272	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Cl+HCOOH"	80.974872
"1331866"	450.036229	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Cl+NaCOOH"	102.956829
"920737"	460.064986	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M-H+CF3COOH"	112.985586
"1297451"	496.041664	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Cl+CF3COOH"	148.962264
"1377798"	312.066724	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H-2H2O"	-35.012676
"1396996"	330.0767	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H-H2O"	-17.0027
"295713"	695.166076	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+H"	1.007276
"685220"	1042.245476	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+H"	1.007276
"1361568"	348.086676	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H"	1.007276
"134456"	348.086676	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+2H"	2.014552
"568546"	521.626376	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+2H"	2.014552
"1041719"	174.546976	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2H"	2.014552
"210716"	232.393542666667	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+3H"	3.021828
"651370"	348.086676	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+3H"	3.021828
"1174965"	116.700409333333	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+3H"	3.021828
"429489"	712.192623	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+NH4"	18.033823
"788662"	1059.272023	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+NH4"	18.033823
"1685356"	365.113223	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+NH4"	18.033823
"332174"	356.5999495	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+H+NH4"	19.041099
"726420"	530.1396495	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+H+NH4"	19.041099
"1484619"	183.0602495	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H+NH4"	19.041099
"400017"	717.148018	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+Na"	22.989218
"761015"	1064.227418	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+Na"	22.989218
"1605832"	370.068618	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Na"	22.989218
"326815"	359.077647	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+H+Na"	23.996494
"720934"	532.617347	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+H+Na"	23.996494
"1473786"	185.537947	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H+Na"	23.996494
"1064482"	124.027723333333	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2H+Na"	25.00377
"1269440"	380.112886	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+CH3OH+H"	33.033486
"386553"	733.121958	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+K"	38.963158
"751924"	1080.201358	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+K"	38.963158
"1555513"	386.042558	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+K"	38.963158
"312979"	367.064617	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+H+K"	39.970434
"706856"	540.604317	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+H+K"	39.970434
"1461093"	193.524917	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H+K"	39.970434
"249526"	736.192626	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+ACN+H"	42.033826
"1223085"	389.113226	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+ACN+H"	42.033826
"1206965"	195.060251	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+ACN+2H"	43.041102
"202631"	739.12996	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+2Na-H"	44.97116
"633930"	1086.20936	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+2Na-H"	44.97116
"1137436"	392.05056	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2Na-H"	44.97116
"177446"	370.068618	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+2Na"	45.978436
"623566"	543.608318	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+2Na"	45.978436
"1128894"	196.528918	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2Na"	45.978436
"1412907"	131.355037333333	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H+2Na"	46.985712
"1444777"	394.092146	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H+HCOOH"	47.012746
"231313"	375.10164	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+3H2O+2H"	56.04448
"1517187"	408.14419	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+IsoProp+H"	61.06479
"411405"	378.055588	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+Na+K"	61.952376
"771672"	551.595288	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+Na+K"	61.952376
"1668731"	204.515888	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Na+K"	61.952376
"264008"	758.174568	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+ACN+Na"	64.015768
"1235618"	411.095168	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+ACN+Na"	64.015768
"1723414"	411.118693	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+NH4+HCOOH"	64.039293
"1187674"	138.682351333333	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+3Na"	68.967654
"1657568"	416.074088	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Na+HCOOH"	68.994688
"165163"	771.07784	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+2K-H"	76.91904
"607273"	1118.15724	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+2K-H"	76.91904
"1094698"	423.99844	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2K-H"	76.91904
"149691"	386.042558	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"2M+2K"	77.926316
"590345"	559.582258	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"3M+2K"	77.926316
"1075951"	212.502858	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2K"	77.926316
"1111718"	426.012992	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2K+H"	78.933592
"1349927"	426.100607	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+DMSO+H"	79.021207
"1020041"	430.139776	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2ACN+H"	83.060376
"1537675"	431.133408	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+IsoProp+Na+H"	84.054008
"995375"	215.573526	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+2ACN+2H"	84.067652
"1595344"	432.048028	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+K+HCOOH"	84.968628
"1426472"	462.079538	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+H+CF3COOH"	115.000138
"1156760"	236.086801	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+3ACN+2H"	125.094202
"1706311"	479.106085	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+NH4+CF3COOH"	132.026685
"1638682"	484.06148	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+Na+CF3COOH"	136.98208
"1579803"	500.03542	"C12222"	"Hydroxysanguinarine"	"C20H13NO5"	"347.0794"	"M+K+CF3COOH"	152.95602
"814184"	423.1682	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M"	0
"985895"	404.14981	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-H2O-H"	-19.01839
"74137"	281.104857333333	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M-3H"	-3.021828
"511508"	422.160924	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M-3H"	-3.021828
"889310"	140.048790666667	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-3H"	-3.021828
"12258"	422.160924	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M-2H"	-2.014552
"449629"	633.745024	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M-2H"	-2.014552
"820872"	210.576824	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-2H"	-2.014552
"80861"	845.329124	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M-H"	-1.007276
"519692"	1268.497324	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M-H"	-1.007276
"899318"	422.160924	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-H"	-1.007276
"49682"	862.355671	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M-2H+NH4"	16.019271
"488020"	1285.523871	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M-2H+NH4"	16.019271
"865094"	439.187471	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-2H+NH4"	16.019271
"34938"	867.311066	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M-2H+Na"	20.974666
"473403"	1290.479266	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M-2H+Na"	20.974666
"849384"	444.142866	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-2H+Na"	20.974666
"1625858"	444.142866	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Na-2H"	20.974666
"98011"	440.149263	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M-H+Cl"	33.962126
"545229"	651.733363	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M-H+Cl"	33.962126
"941661"	228.565163	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-H+Cl"	33.962126
"280219"	881.305802	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+Cl"	34.969402
"674840"	1304.474002	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+Cl"	34.969402
"1287719"	458.137602	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Cl"	34.969402
"22503"	883.285006	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M-2H+K"	36.948606
"463154"	1306.453206	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M-2H+K"	36.948606
"835488"	460.116806	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-2H+K"	36.948606
"1564449"	460.116806	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+K-2H"	36.948606
"947960"	468.166394	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-H+HCOOH"	44.998194
"368361"	891.334601	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+HCOOH-H"	44.998201
"350061"	905.350251	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+Hac-H"	59.013851
"1496705"	482.182051	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Hac-H"	59.013851
"960112"	490.148351	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-H+NaCOOH"	66.980151
"115339"	458.137602	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+2Cl"	69.938804
"552715"	669.721702	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+2Cl"	69.938804
"1028077"	246.553502	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2Cl"	69.938804
"1246560"	502.087085	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Br"	78.918885
"1316668"	504.143072	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Cl+HCOOH"	80.974872
"1331976"	526.125029	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Cl+NaCOOH"	102.956829
"920847"	536.153786	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M-H+CF3COOH"	112.985586
"1297560"	572.130464	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Cl+CF3COOH"	148.962264
"1374628"	388.155524	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H-2H2O"	-35.012676
"1395405"	406.1655	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H-H2O"	-17.0027
"294000"	847.343676	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+H"	1.007276
"683143"	1270.511876	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+H"	1.007276
"1361678"	424.175476	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H"	1.007276
"132379"	424.175476	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+2H"	2.014552
"568290"	635.759576	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+2H"	2.014552
"1040369"	212.591376	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2H"	2.014552
"209367"	283.119409333333	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+3H"	3.021828
"651480"	424.175476	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+3H"	3.021828
"1172888"	142.063342666667	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+3H"	3.021828
"428869"	864.370223	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+NH4"	18.033823
"788405"	1287.538423	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+NH4"	18.033823
"1682792"	441.202023	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+NH4"	18.033823
"331921"	432.6887495	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+H+NH4"	19.041099
"724340"	644.2728495	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+H+NH4"	19.041099
"1477551"	221.1046495	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H+NH4"	19.041099
"394653"	869.325618	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+Na"	22.989218
"761125"	1292.493818	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+Na"	22.989218
"1604849"	446.157418	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Na"	22.989218
"327287"	435.166447	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+H+Na"	23.996494
"719341"	646.750547	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+H+Na"	23.996494
"1474990"	223.582347	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H+Na"	23.996494
"1065685"	149.390656666667	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2H+Na"	25.00377
"1270643"	456.201686	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+CH3OH+H"	33.033486
"386663"	885.299558	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+K"	38.963158
"751305"	1308.467758	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+K"	38.963158
"1555068"	462.131358	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+K"	38.963158
"312724"	443.153417	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+H+K"	39.970434
"706733"	654.737517	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+H+K"	39.970434
"1460063"	231.569317	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H+K"	39.970434
"249028"	888.370226	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+ACN+H"	42.033826
"1222101"	465.202026	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+ACN+H"	42.033826
"1204523"	233.104651	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+ACN+2H"	43.041102
"202863"	891.30756	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+2Na-H"	44.97116
"634040"	1314.47576	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+2Na-H"	44.97116
"1137545"	468.13936	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2Na-H"	44.97116
"178649"	446.157418	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+2Na"	45.978436
"625863"	657.741518	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+2Na"	45.978436
"1130341"	234.573318	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2Na"	45.978436
"1413625"	156.717970666667	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H+2Na"	46.985712
"1445133"	470.180946	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H+HCOOH"	47.012746
"232153"	451.19044	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+3H2O+2H"	56.04448
"1518390"	484.23299	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+IsoProp+H"	61.06479
"416983"	454.144388	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+Na+K"	61.952376
"772872"	665.728488	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+Na+K"	61.952376
"1667381"	242.560288	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Na+K"	61.952376
"263754"	910.352168	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+ACN+Na"	64.015768
"1235728"	487.183968	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+ACN+Na"	64.015768
"1723889"	487.207493	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+NH4+HCOOH"	64.039293
"1188877"	164.045284666667	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+3Na"	68.967654
"1657677"	492.162888	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Na+HCOOH"	68.994688
"167459"	923.25544	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+2K-H"	76.91904
"608109"	1346.42364	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+2K-H"	76.91904
"1092985"	500.08724	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2K-H"	76.91904
"148707"	462.131358	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"2M+2K"	77.926316
"593735"	673.715458	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"3M+2K"	77.926316
"1081164"	250.547258	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2K"	77.926316
"1112191"	502.101792	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2K+H"	78.933592
"1346751"	502.189407	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+DMSO+H"	79.021207
"1017104"	506.228576	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2ACN+H"	83.060376
"1537056"	507.222208	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+IsoProp+Na+H"	84.054008
"995485"	253.617926	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+2ACN+2H"	84.067652
"1598735"	508.136828	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+K+HCOOH"	84.968628
"1423301"	538.168338	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+H+CF3COOH"	115.000138
"1156870"	274.131201	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+3ACN+2H"	125.094202
"1706421"	555.194885	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+NH4+CF3COOH"	132.026685
"1642072"	560.15028	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+Na+CF3COOH"	136.98208
"1579913"	576.12422	"C12223"	"N-Methyl-2378-tetramethoxy-56-dihydrobenzophenathridine-6-ethanoic acid"	"C24H25NO6"	"423.1682"	"M+K+CF3COOH"	152.95602
"816644"	379.142	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M"	0
"989864"	360.12361	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-H2O-H"	-19.01839
"78524"	251.754057333333	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M-3H"	-3.021828
"514899"	378.134724	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M-3H"	-3.021828
"893794"	125.373390666667	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-3H"	-3.021828
"13461"	378.134724	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M-2H"	-2.014552
"453019"	567.705724	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M-2H"	-2.014552
"824262"	188.563724	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-2H"	-2.014552
"83159"	757.276724	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M-H"	-1.007276
"519559"	1136.418724	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M-H"	-1.007276
"898699"	378.134724	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-H"	-1.007276
"47605"	774.303271	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M-2H+NH4"	16.019271
"488130"	1153.445271	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M-2H+NH4"	16.019271
"864514"	395.161271	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-2H+NH4"	16.019271
"34684"	779.258666	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M-2H+Na"	20.974666
"472663"	1158.400666	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M-2H+Na"	20.974666
"848682"	400.116666	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-2H+Na"	20.974666
"1621593"	400.116666	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Na-2H"	20.974666
"100306"	396.123063	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M-H+Cl"	33.962126
"538773"	585.694063	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M-H+Cl"	33.962126
"931195"	206.552063	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-H+Cl"	33.962126
"280693"	793.253402	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+Cl"	34.969402
"675062"	1172.395402	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+Cl"	34.969402
"1286611"	414.111402	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Cl"	34.969402
"25894"	795.232606	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M-2H+K"	36.948606
"467638"	1174.374606	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M-2H+K"	36.948606
"838151"	416.090606	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-2H+K"	36.948606
"1566746"	416.090606	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+K-2H"	36.948606
"954266"	424.140194	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-H+HCOOH"	44.998194
"370294"	803.282201	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+HCOOH-H"	44.998201
"356733"	817.297851	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+Hac-H"	59.013851
"1497910"	438.155851	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Hac-H"	59.013851
"961074"	446.122151	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-H+NaCOOH"	66.980151
"118366"	414.111402	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+2Cl"	69.938804
"556104"	603.682402	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+2Cl"	69.938804
"1028187"	224.540402	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2Cl"	69.938804
"1248858"	458.060885	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Br"	78.918885
"1314591"	460.116872	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Cl+HCOOH"	80.974872
"1334760"	482.098829	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Cl+NaCOOH"	102.956829
"925575"	492.127586	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M-H+CF3COOH"	112.985586
"1293296"	528.104264	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Cl+CF3COOH"	148.962264
"1373643"	344.129324	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H-2H2O"	-35.012676
"1394419"	362.1393	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H-H2O"	-17.0027
"294108"	759.291276	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+H"	1.007276
"687624"	1138.433276	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+H"	1.007276
"1361786"	380.149276	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H"	1.007276
"136862"	380.149276	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+2H"	2.014552
"566941"	569.720276	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+2H"	2.014552
"1040480"	190.578276	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2H"	2.014552
"206561"	253.768609333333	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+3H"	3.021828
"647578"	380.149276	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+3H"	3.021828
"1170079"	127.387942666667	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+3H"	3.021828
"429342"	776.317823	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+NH4"	18.033823
"790705"	1155.459823	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+NH4"	18.033823
"1684847"	397.175823	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+NH4"	18.033823
"331056"	388.6625495	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+H+NH4"	19.041099
"724327"	578.2335495	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+H+NH4"	19.041099
"1477783"	199.0915495	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H+NH4"	19.041099
"393670"	781.273218	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+Na"	22.989218
"757953"	1160.415218	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+Na"	22.989218
"1606052"	402.131218	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Na"	22.989218
"321560"	391.140247	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+H+Na"	23.996494
"710702"	580.711247	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+H+Na"	23.996494
"1474365"	201.569247	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H+Na"	23.996494
"1067250"	134.715256666667	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2H+Na"	25.00377
"1269289"	412.175486	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+CH3OH+H"	33.033486
"386771"	797.247158	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+K"	38.963158
"752140"	1176.389158	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+K"	38.963158
"1553832"	418.105158	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+K"	38.963158
"309185"	399.127217	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+H+K"	39.970434
"704888"	588.698217	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+H+K"	39.970434
"1458350"	209.556217	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H+K"	39.970434
"249137"	800.317826	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+ACN+H"	42.033826
"1222207"	421.175826	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+ACN+H"	42.033826
"1203903"	211.091551	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+ACN+2H"	43.041102
"195680"	803.25516	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+2Na-H"	44.97116
"632326"	1182.39716	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+2Na-H"	44.97116
"1140935"	424.11316	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2Na-H"	44.97116
"177300"	402.131218	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+2Na"	45.978436
"624879"	591.702218	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+2Na"	45.978436
"1121095"	212.560218	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2Na"	45.978436
"1407534"	142.042570666667	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H+2Na"	46.985712
"1444635"	426.154746	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H+HCOOH"	47.012746
"227158"	407.16424	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+3H2O+2H"	56.04448
"1516313"	440.20679	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+IsoProp+H"	61.06479
"410896"	410.118188	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+Na+K"	61.952376
"771527"	599.689188	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+Na+K"	61.952376
"1668951"	220.547188	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Na+K"	61.952376
"264224"	822.299768	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+ACN+Na"	64.015768
"1235838"	443.157768	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+ACN+Na"	64.015768
"1723632"	443.181293	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+NH4+HCOOH"	64.039293
"1190081"	149.369884666667	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+3Na"	68.967654
"1657787"	448.136688	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Na+HCOOH"	68.994688
"169392"	835.20304	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+2K-H"	76.91904
"608583"	1214.34504	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+2K-H"	76.91904
"1098809"	456.06104	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2K-H"	76.91904
"153191"	418.105158	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"2M+2K"	77.926316
"595555"	607.676158	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"3M+2K"	77.926316
"1081277"	228.534158	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2K"	77.926316
"1113758"	458.075592	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2K+H"	78.933592
"1346861"	458.163207	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+DMSO+H"	79.021207
"1017214"	462.202376	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2ACN+H"	83.060376
"1539703"	463.196008	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+IsoProp+Na+H"	84.054008
"1003248"	231.604826	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+2ACN+2H"	84.067652
"1601397"	464.110628	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+K+HCOOH"	84.968628
"1428636"	494.142138	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+H+CF3COOH"	115.000138
"1160260"	252.118101	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+3ACN+2H"	125.094202
"1707624"	511.168685	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+NH4+CF3COOH"	132.026685
"1642182"	516.12408	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+Na+CF3COOH"	136.98208
"1580023"	532.09802	"C12224"	"N-Methyl-2378-tetramethoxybenzophenanthridine-6(5H)-one"	"C22H21NO5"	"379.142"	"M+K+CF3COOH"	152.95602
"815495"	363.1107	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M"	0
"985020"	344.09231	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-H2O-H"	-19.01839
"73263"	241.066524	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M-3H"	-3.021828
"507355"	362.103424	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M-3H"	-3.021828
"888436"	120.029624	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-3H"	-3.021828
"5917"	362.103424	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M-2H"	-2.014552
"446569"	543.658774	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M-2H"	-2.014552
"821092"	180.548074	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-2H"	-2.014552
"82175"	725.214124	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M-H"	-1.007276
"518729"	1088.324824	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M-H"	-1.007276
"895674"	362.103424	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-H"	-1.007276
"47621"	742.240671	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M-2H+NH4"	16.019271
"487194"	1105.351371	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M-2H+NH4"	16.019271
"864363"	379.129971	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-2H+NH4"	16.019271
"31604"	747.196066	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M-2H+Na"	20.974666
"471716"	1110.306766	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M-2H+Na"	20.974666
"848627"	384.085366	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-2H+Na"	20.974666
"1622795"	384.085366	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Na-2H"	20.974666
"94324"	380.091763	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M-H+Cl"	33.962126
"534370"	561.647113	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M-H+Cl"	33.962126
"932398"	198.536413	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-H+Cl"	33.962126
"272051"	761.190802	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+Cl"	34.969402
"675417"	1124.301502	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+Cl"	34.969402
"1285628"	398.080102	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Cl"	34.969402
"24909"	763.170006	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M-2H+K"	36.948606
"467384"	1126.280706	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M-2H+K"	36.948606
"844457"	400.059306	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-2H+K"	36.948606
"1569040"	400.059306	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+K-2H"	36.948606
"951459"	408.108894	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-H+HCOOH"	44.998194
"364207"	771.219601	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+HCOOH-H"	44.998201
"353559"	785.235251	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+Hac-H"	59.013851
"1501298"	422.124551	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Hac-H"	59.013851
"966655"	430.090851	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-H+NaCOOH"	66.980151
"118840"	398.080102	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+2Cl"	69.938804
"557306"	579.635452	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+2Cl"	69.938804
"1033761"	216.524752	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2Cl"	69.938804
"1248968"	442.029585	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Br"	78.918885
"1313604"	444.085572	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Cl+HCOOH"	80.974872
"1334019"	466.067529	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Cl+NaCOOH"	102.956829
"926170"	476.096286	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M-H+CF3COOH"	112.985586
"1295592"	512.072964	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Cl+CF3COOH"	148.962264
"1373753"	328.098024	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H-2H2O"	-35.012676
"1391249"	346.108	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H-H2O"	-17.0027
"294218"	727.228676	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+H"	1.007276
"685547"	1090.339376	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+H"	1.007276
"1361897"	364.117976	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H"	1.007276
"135880"	364.117976	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+2H"	2.014552
"567052"	545.673326	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+2H"	2.014552
"1041319"	182.562626	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2H"	2.014552
"207764"	243.081076	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+3H"	3.021828
"646594"	364.117976	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+3H"	3.021828
"1169459"	122.044176	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+3H"	3.021828
"430545"	744.255223	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+NH4"	18.033823
"789720"	1107.365923	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+NH4"	18.033823
"1687873"	381.144523	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+NH4"	18.033823
"332504"	372.6312495	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+H+NH4"	19.041099
"726749"	554.1865995	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+H+NH4"	19.041099
"1477285"	191.0758995	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H+NH4"	19.041099
"395604"	749.210618	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+Na"	22.989218
"755875"	1112.321318	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+Na"	22.989218
"1606162"	386.099918	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Na"	22.989218
"323856"	375.108947	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+H+Na"	23.996494
"712998"	556.664297	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+H+Na"	23.996494
"1474475"	193.553597	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H+Na"	23.996494
"1064441"	129.37149	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2H+Na"	25.00377
"1269399"	396.144186	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+CH3OH+H"	33.033486
"386881"	765.184558	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+K"	38.963158
"751886"	1128.295258	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+K"	38.963158
"1553942"	402.073858	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+K"	38.963158
"309294"	383.095917	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+H+K"	39.970434
"706091"	564.651267	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+H+K"	39.970434
"1459189"	201.540567	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H+K"	39.970434
"249246"	768.255226	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+ACN+H"	42.033826
"1222317"	405.144526	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+ACN+H"	42.033826
"1201826"	203.075901	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+ACN+2H"	43.041102
"197977"	771.19256	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+2Na-H"	44.97116
"633166"	1134.30326	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+2Na-H"	44.97116
"1141044"	408.08186	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2Na-H"	44.97116
"177046"	386.099918	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+2Na"	45.978436
"626083"	567.655268	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+2Na"	45.978436
"1124121"	204.544568	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2Na"	45.978436
"1404365"	136.698804	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H+2Na"	46.985712
"1439760"	410.123446	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H+HCOOH"	47.012746
"227268"	391.13294	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+3H2O+2H"	56.04448
"1516423"	424.17549	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+IsoProp+H"	61.06479
"413922"	394.086888	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+Na+K"	61.952376
"772000"	575.642238	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+Na+K"	61.952376
"1667603"	212.531538	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Na+K"	61.952376
"261052"	790.237168	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+ACN+Na"	64.015768
"1235948"	427.126468	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+ACN+Na"	64.015768
"1721555"	427.149993	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+NH4+HCOOH"	64.039293
"1189098"	144.026118	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+3Na"	68.967654
"1657897"	432.105388	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Na+HCOOH"	68.994688
"168407"	803.14044	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+2K-H"	76.91904
"605413"	1166.25114	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+2K-H"	76.91904
"1093205"	440.02974	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2K-H"	76.91904
"153301"	402.073858	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"2M+2K"	77.926316
"594936"	583.629208	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"3M+2K"	77.926316
"1082480"	220.518508	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2K"	77.926316
"1111680"	442.044292	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2K+H"	78.933592
"1346607"	442.131907	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+DMSO+H"	79.021207
"1018783"	446.171076	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2ACN+H"	83.060376
"1538368"	447.164708	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+IsoProp+Na+H"	84.054008
"1003356"	223.589176	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+2ACN+2H"	84.067652
"1598950"	448.079328	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+K+HCOOH"	84.968628
"1426800"	478.110838	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+H+CF3COOH"	115.000138
"1154902"	244.102451	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+3ACN+2H"	125.094202
"1707734"	495.137385	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+NH4+CF3COOH"	132.026685
"1642292"	500.09278	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+Na+CF3COOH"	136.98208
"1580133"	516.06672	"C12225"	"6-Oxochelerythrine;Oxychelerythrine;12-Dimethoxy-12-methyl-(13)benzodioxolo(56-c)phenanthridin-13(12H)-one"	"C21H17NO5"	"363.1107"	"M+K+CF3COOH"	152.95602
"815969"	333.1001	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M"	0
"985130"	314.08171	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-H2O-H"	-19.01839
"70093"	221.059457333333	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M-3H"	-3.021828
"507465"	332.092824	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M-3H"	-3.021828
"888546"	110.026090666667	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-3H"	-3.021828
"6027"	332.092824	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H"	-2.014552
"446679"	498.642874	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H"	-2.014552
"821202"	165.542774	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-2H"	-2.014552
"81192"	665.192924	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M-H"	-1.007276
"518798"	998.293024	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M-H"	-1.007276
"896073"	332.092824	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-H"	-1.007276
"47813"	682.219471	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H+NH4"	16.019271
"487379"	1015.319571	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H+NH4"	16.019271
"864695"	349.119371	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-2H+NH4"	16.019271
"32024"	687.174866	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H+Na"	20.974666
"472152"	1020.274966	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H+Na"	20.974666
"848782"	354.074766	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-2H+Na"	20.974666
"1625091"	354.074766	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Na-2H"	20.974666
"94481"	350.081163	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M-H+Cl"	33.962126
"534422"	516.631213	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M-H+Cl"	33.962126
"933601"	183.531113	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-H+Cl"	33.962126
"274347"	701.169602	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+Cl"	34.969402
"675042"	1034.269702	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+Cl"	34.969402
"1284644"	368.069502	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl"	34.969402
"25019"	703.148806	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M-2H+K"	36.948606
"467857"	1036.248906	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M-2H+K"	36.948606
"844567"	370.048706	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-2H+K"	36.948606
"1566963"	370.048706	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+K-2H"	36.948606
"949379"	378.098294	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-H+HCOOH"	44.998194
"362858"	711.198401	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+HCOOH-H"	44.998201
"349295"	725.214051	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+Hac-H"	59.013851
"1500315"	392.113951	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Hac-H"	59.013851
"961297"	400.080251	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-H+NaCOOH"	66.980151
"110931"	368.069502	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+2Cl"	69.938804
"555229"	534.619552	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+2Cl"	69.938804
"1033871"	201.519452	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2Cl"	69.938804
"1249078"	412.018985	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Br"	78.918885
"1312621"	414.074972	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl+HCOOH"	80.974872
"1334493"	436.056929	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl+NaCOOH"	102.956829
"926280"	446.085686	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M-H+CF3COOH"	112.985586
"1293515"	482.062364	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Cl+CF3COOH"	148.962264
"1370583"	298.087424	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H-2H2O"	-35.012676
"1391359"	316.0974	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H-H2O"	-17.0027
"291048"	667.207476	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+H"	1.007276
"682377"	1000.307576	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+H"	1.007276
"1360913"	334.107376	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H"	1.007276
"138174"	334.107376	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+2H"	2.014552
"569715"	500.657426	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+2H"	2.014552
"1039971"	167.557326	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2H"	2.014552
"209333"	223.074009333333	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+3H"	3.021828
"647068"	334.107376	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+3H"	3.021828
"1169934"	112.040642666667	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+3H"	3.021828
"429562"	684.234023	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+NH4"	18.033823
"790194"	1017.334123	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+NH4"	18.033823
"1685067"	351.133923	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+NH4"	18.033823
"331886"	342.6206495	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+H+NH4"	19.041099
"726859"	509.1706995	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+H+NH4"	19.041099
"1480314"	176.0705995	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H+NH4"	19.041099
"393361"	689.189418	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+Na"	22.989218
"757076"	1022.289518	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+Na"	22.989218
"1605177"	356.089318	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Na"	22.989218
"316308"	345.098347	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+H+Na"	23.996494
"712015"	511.648397	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+H+Na"	23.996494
"1474221"	178.548297	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H+Na"	23.996494
"1063823"	119.367956666667	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2H+Na"	25.00377
"1264042"	366.133586	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+CH3OH+H"	33.033486
"383711"	705.163358	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+K"	38.963158
"751632"	1038.263458	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+K"	38.963158
"1552958"	372.063258	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+K"	38.963158
"308310"	353.085317	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+H+K"	39.970434
"705108"	519.635367	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+H+K"	39.970434
"1458933"	186.535267	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H+K"	39.970434
"249355"	708.234026	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+ACN+H"	42.033826
"1222062"	375.133926	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+ACN+H"	42.033826
"1205216"	188.070601	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+ACN+2H"	43.041102
"195900"	711.17136	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+2Na-H"	44.97116
"630722"	1044.27146	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+2Na-H"	44.97116
"1138968"	378.07126	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2Na-H"	44.97116
"181165"	356.089318	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+2Na"	45.978436
"626192"	522.639368	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+2Na"	45.978436
"1122044"	189.539268	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2Na"	45.978436
"1405568"	126.695270666667	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H+2Na"	46.985712
"1439870"	380.112846	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H+HCOOH"	47.012746
"227378"	361.12234	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+3H2O+2H"	56.04448
"1516533"	394.16489	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+IsoProp+H"	61.06479
"414032"	364.076288	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+Na+K"	61.952376
"772839"	530.626338	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+Na+K"	61.952376
"1669535"	197.526238	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Na+K"	61.952376
"261162"	730.215968	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+ACN+Na"	64.015768
"1233505"	397.115868	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+ACN+Na"	64.015768
"1721665"	397.139393	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+NH4+HCOOH"	64.039293
"1186291"	134.022584666667	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+3Na"	68.967654
"1656185"	402.094788	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Na+HCOOH"	68.994688
"164870"	743.11924	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+2K-H"	76.91904
"605159"	1076.21934	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+2K-H"	76.91904
"1092951"	410.01914	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2K-H"	76.91904
"152683"	372.063258	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"2M+2K"	77.926316
"595405"	538.613308	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"3M+2K"	77.926316
"1078215"	205.513208	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2K"	77.926316
"1111426"	412.033692	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2K+H"	78.933592
"1345260"	412.121307	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+DMSO+H"	79.021207
"1014517"	416.160476	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2ACN+H"	83.060376
"1539329"	417.154108	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+IsoProp+Na+H"	84.054008
"1001279"	208.583876	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+2ACN+2H"	84.067652
"1599060"	418.068728	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+K+HCOOH"	84.968628
"1425817"	448.100238	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+H+CF3COOH"	115.000138
"1155012"	229.097151	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+3ACN+2H"	125.094202
"1706751"	465.126785	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+NH4+CF3COOH"	132.026685
"1642402"	470.08218	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+Na+CF3COOH"	136.98208
"1580243"	486.05612	"C12226"	"Norchelerythrine;12-Dimethoxy-(13)benzodioxolo(56-c)phenanthridine"	"C20H15NO4"	"333.1001"	"M+K+CF3COOH"	152.95602
"814986"	348.1236	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M"	0
"986333"	329.10521	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-H2O-H"	-19.01839
"70203"	231.075124	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M-3H"	-3.021828
"510855"	347.116324	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M-3H"	-3.021828
"888656"	115.033924	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-3H"	-3.021828
"11604"	347.116324	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M-2H"	-2.014552
"446789"	521.178124	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M-2H"	-2.014552
"821313"	173.054524	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-2H"	-2.014552
"81302"	695.239924	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M-H"	-1.007276
"519885"	1043.363524	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M-H"	-1.007276
"898664"	347.116324	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-H"	-1.007276
"48418"	712.266471	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M-2H+NH4"	16.019271
"488708"	1060.390071	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M-2H+NH4"	16.019271
"864803"	364.142871	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-2H+NH4"	16.019271
"32464"	717.221866	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M-2H+Na"	20.974666
"474581"	1065.345466	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M-2H+Na"	20.974666
"849055"	369.098266	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-2H+Na"	20.974666
"1621920"	369.098266	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Na-2H"	20.974666
"94713"	365.104663	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M-H+Cl"	33.962126
"535332"	539.166463	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M-H+Cl"	33.962126
"933712"	191.042863	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-H+Cl"	33.962126
"272272"	731.216602	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+Cl"	34.969402
"674786"	1079.340202	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+Cl"	34.969402
"1285848"	383.093002	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Cl"	34.969402
"25130"	733.195806	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M-2H+K"	36.948606
"469061"	1081.319406	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M-2H+K"	36.948606
"844677"	385.072206	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-2H+K"	36.948606
"1564886"	385.072206	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+K-2H"	36.948606
"955321"	393.121794	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-H+HCOOH"	44.998194
"373902"	741.245401	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+HCOOH-H"	44.998201
"351592"	755.261051	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+Hac-H"	59.013851
"1499331"	407.137451	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Hac-H"	59.013851
"963959"	415.103751	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-H+NaCOOH"	66.980151
"110556"	383.093002	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+2Cl"	69.938804
"557527"	557.154802	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+2Cl"	69.938804
"1035440"	209.031202	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2Cl"	69.938804
"1252468"	427.042485	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Br"	78.918885
"1314918"	429.098472	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Cl+HCOOH"	80.974872
"1332416"	451.080429	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Cl+NaCOOH"	102.956829
"925661"	461.109186	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M-H+CF3COOH"	112.985586
"1297998"	497.085864	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Cl+CF3COOH"	148.962264
"1372879"	313.110924	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H-2H2O"	-35.012676
"1389281"	331.1209	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H-H2O"	-17.0027
"291158"	697.254476	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+H"	1.007276
"684673"	1045.378076	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+H"	1.007276
"1359929"	349.130876	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H"	1.007276
"138286"	349.130876	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+2H"	2.014552
"570189"	523.192676	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+2H"	2.014552
"1041538"	175.069076	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2H"	2.014552
"208711"	233.089676	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+3H"	3.021828
"651188"	349.130876	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+3H"	3.021828
"1171502"	117.048476	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+3H"	3.021828
"431859"	714.281023	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+NH4"	18.033823
"788116"	1062.404623	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+NH4"	18.033823
"1685541"	366.157423	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+NH4"	18.033823
"331997"	357.6441495	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+H+NH4"	19.041099
"727333"	531.7059495	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+H+NH4"	19.041099
"1481154"	183.5823495	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H+NH4"	19.041099
"396189"	719.236418	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+Na"	22.989218
"754996"	1067.360018	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+Na"	22.989218
"1605287"	371.112818	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Na"	22.989218
"317511"	360.121847	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+H+Na"	23.996494
"716498"	534.183647	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+H+Na"	23.996494
"1469228"	186.060047	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H+Na"	23.996494
"1057005"	124.37579	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2H+Na"	25.00377
"1260869"	381.157086	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+CH3OH+H"	33.033486
"383819"	735.210358	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+K"	38.963158
"744815"	1083.333958	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+K"	38.963158
"1553068"	387.086758	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+K"	38.963158
"308420"	368.108817	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+H+K"	39.970434
"704859"	542.170617	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+H+K"	39.970434
"1457585"	194.047017	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H+K"	39.970434
"247279"	738.281026	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+ACN+H"	42.033826
"1222174"	390.157426	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+ACN+H"	42.033826
"1199860"	195.582351	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+ACN+2H"	43.041102
"198196"	741.21836	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+2Na-H"	44.97116
"633385"	1089.34196	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+2Na-H"	44.97116
"1136891"	393.09476	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2Na-H"	44.97116
"185648"	371.112818	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+2Na"	45.978436
"621927"	545.174618	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+2Na"	45.978436
"1124341"	197.051018	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2Na"	45.978436
"1407865"	131.703104	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H+2Na"	46.985712
"1439980"	395.136346	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H+HCOOH"	47.012746
"225302"	376.14584	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+3H2O+2H"	56.04448
"1512633"	409.18839	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+IsoProp+H"	61.06479
"414507"	379.099788	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+Na+K"	61.952376
"771493"	553.161588	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+Na+K"	61.952376
"1668552"	205.037988	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Na+K"	61.952376
"262365"	760.262968	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+ACN+Na"	64.015768
"1236167"	412.139368	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+ACN+Na"	64.015768
"1720680"	412.162893	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+NH4+HCOOH"	64.039293
"1182025"	139.030418	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+3Na"	68.967654
"1656295"	417.118288	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Na+HCOOH"	68.994688
"162793"	773.16624	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+2K-H"	76.91904
"602353"	1121.28984	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+2K-H"	76.91904
"1090508"	425.04264	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2K-H"	76.91904
"150970"	387.086758	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"2M+2K"	77.926316
"593813"	561.148558	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"3M+2K"	77.926316
"1080513"	213.024958	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2K"	77.926316
"1109711"	427.057192	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2K+H"	78.933592
"1343910"	427.144807	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+DMSO+H"	79.021207
"1014627"	431.183976	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2ACN+H"	83.060376
"1538952"	432.177608	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+IsoProp+Na+H"	84.054008
"1003940"	216.095626	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+2ACN+2H"	84.067652
"1598077"	433.092228	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+K+HCOOH"	84.968628
"1425926"	463.123738	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+H+CF3COOH"	115.000138
"1151840"	236.608901	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+3ACN+2H"	125.094202
"1703578"	480.150285	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+NH4+CF3COOH"	132.026685
"1639232"	485.10568	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+Na+CF3COOH"	136.98208
"1580353"	501.07962	"C12227"	"Chelerythrine"	"C21H18NO4"	"348.1236"	"M+K+CF3COOH"	152.95602
"815825"	394.1654	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M"	0
"980976"	375.14701	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-H2O-H"	-19.01839
"75780"	261.769657333333	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M-3H"	-3.021828
"510965"	393.158124	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M-3H"	-3.021828
"888766"	130.381190666667	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-3H"	-3.021828
"13173"	393.158124	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M-2H"	-2.014552
"449817"	590.240824	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M-2H"	-2.014552
"827984"	196.075424	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-2H"	-2.014552
"80319"	787.323524	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M-H"	-1.007276
"519023"	1181.488924	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M-H"	-1.007276
"898774"	393.158124	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-H"	-1.007276
"48286"	804.350071	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M-2H+NH4"	16.019271
"491614"	1198.515471	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M-2H+NH4"	16.019271
"872695"	410.184671	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-2H+NH4"	16.019271
"44968"	809.305466	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M-2H+Na"	20.974666
"477971"	1203.470866	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M-2H+Na"	20.974666
"852492"	415.140066	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-2H+Na"	20.974666
"1620937"	415.140066	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Na-2H"	20.974666
"97464"	411.146463	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M-H+Cl"	33.962126
"538115"	608.229163	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M-H+Cl"	33.962126
"933823"	214.063763	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-H+Cl"	33.962126
"272378"	823.300202	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+Cl"	34.969402
"672463"	1217.465602	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+Cl"	34.969402
"1287540"	429.134802	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Cl"	34.969402
"24145"	825.279406	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M-2H+K"	36.948606
"462611"	1219.444806	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M-2H+K"	36.948606
"840413"	431.114006	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-2H+K"	36.948606
"1563902"	431.114006	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+K-2H"	36.948606
"951784"	439.163594	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-H+HCOOH"	44.998194
"372189"	833.329001	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+HCOOH-H"	44.998201
"348420"	847.344651	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+Hac-H"	59.013851
"1499436"	453.179251	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Hac-H"	59.013851
"965889"	461.145551	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-H+NaCOOH"	66.980151
"113704"	429.134802	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+2Cl"	69.938804
"559825"	626.217502	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+2Cl"	69.938804
"1034091"	232.052102	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2Cl"	69.938804
"1252577"	473.084285	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Br"	78.918885
"1310651"	475.140272	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Cl+HCOOH"	80.974872
"1329243"	497.122229	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Cl+NaCOOH"	102.956829
"914833"	507.150986	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M-H+CF3COOH"	112.985586
"1293732"	543.127664	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Cl+CF3COOH"	148.962264
"1374082"	359.152724	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H-2H2O"	-35.012676
"1389391"	377.1627	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H-H2O"	-17.0027
"292360"	789.338076	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+H"	1.007276
"685873"	1183.503476	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+H"	1.007276
"1363317"	395.172676	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H"	1.007276
"137299"	395.172676	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+2H"	2.014552
"579045"	592.255376	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+2H"	2.014552
"1050032"	198.089976	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2H"	2.014552
"212468"	263.784209333333	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+3H"	3.021828
"652028"	395.172676	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+3H"	3.021828
"1171246"	132.395742666667	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+3H"	3.021828
"432332"	806.364623	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+NH4"	18.033823
"794422"	1200.530023	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+NH4"	18.033823
"1687839"	412.199223	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+NH4"	18.033823
"335752"	403.6859495	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+H+NH4"	19.041099
"730359"	600.7686495	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+H+NH4"	19.041099
"1480170"	206.6032495	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H+NH4"	19.041099
"396663"	811.320018	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+Na"	22.989218
"754985"	1205.485418	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+Na"	22.989218
"1604304"	417.154618	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Na"	22.989218
"317621"	406.163647	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+H+Na"	23.996494
"717702"	603.246347	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+H+Na"	23.996494
"1470431"	209.080947	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H+Na"	23.996494
"1057115"	139.723056666667	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2H+Na"	25.00377
"1264261"	427.198886	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+CH3OH+H"	33.033486
"386846"	827.293958	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+K"	38.963158
"744925"	1221.459358	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+K"	38.963158
"1554157"	433.128558	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+K"	38.963158
"312175"	414.150617	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+H+K"	39.970434
"704606"	611.233317	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+H+K"	39.970434
"1457695"	217.067917	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H+K"	39.970434
"248484"	830.364626	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+ACN+H"	42.033826
"1222650"	436.199226	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+ACN+H"	42.033826
"1202156"	218.603251	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+ACN+2H"	43.041102
"203169"	833.30196	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+2Na-H"	44.97116
"632402"	1227.46736	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+2Na-H"	44.97116
"1139188"	439.13656	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2Na-H"	44.97116
"183571"	417.154618	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+2Na"	45.978436
"620944"	614.237318	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+2Na"	45.978436
"1124451"	220.071918	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2Na"	45.978436
"1407975"	147.050370666667	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H+2Na"	46.985712
"1440090"	441.178146	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H+HCOOH"	47.012746
"225412"	422.18764	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+3H2O+2H"	56.04448
"1510556"	455.23019	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+IsoProp+H"	61.06479
"414617"	425.141588	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+Na+K"	61.952376
"774154"	622.224288	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+Na+K"	61.952376
"1669755"	228.058888	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Na+K"	61.952376
"260287"	852.346568	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+ACN+Na"	64.015768
"1232632"	458.181168	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+ACN+Na"	64.015768
"1719333"	458.204693	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+NH4+HCOOH"	64.039293
"1182135"	154.377684666667	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+3Na"	68.967654
"1657133"	463.160088	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Na+HCOOH"	68.994688
"161080"	865.24984	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+2K-H"	76.91904
"599912"	1259.41524	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+2K-H"	76.91904
"1088796"	471.08444	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2K-H"	76.91904
"144885"	433.128558	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"2M+2K"	77.926316
"586633"	630.211258	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"3M+2K"	77.926316
"1073331"	236.045858	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2K"	77.926316
"1108727"	473.098992	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2K+H"	78.933592
"1342926"	473.186607	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+DMSO+H"	79.021207
"1013642"	477.225776	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2ACN+H"	83.060376
"1537968"	478.219408	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+IsoProp+Na+H"	84.054008
"1002227"	239.116526	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+2ACN+2H"	84.067652
"1597093"	479.134028	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+K+HCOOH"	84.968628
"1419476"	509.165538	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+H+CF3COOH"	115.000138
"1153043"	259.629801	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+3ACN+2H"	125.094202
"1700043"	526.192085	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+NH4+CF3COOH"	132.026685
"1639341"	531.14748	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+Na+CF3COOH"	136.98208
"1580463"	547.12142	"C12228"	"Sanguilutine"	"C23H24NO5"	"394.1654"	"M+K+CF3COOH"	152.95602
"815206"	378.1341	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M"	0
"977806"	359.11571	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-H2O-H"	-19.01839
"72610"	251.082124	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M-3H"	-3.021828
"511075"	377.126824	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M-3H"	-3.021828
"887783"	125.037424	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-3H"	-3.021828
"9638"	377.126824	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M-2H"	-2.014552
"451384"	566.193874	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M-2H"	-2.014552
"828094"	188.059774	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-2H"	-2.014552
"80550"	755.260924	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M-H"	-1.007276
"521082"	1133.395024	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M-H"	-1.007276
"898884"	377.126824	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-H"	-1.007276
"48154"	772.287471	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M-2H+NH4"	16.019271
"488565"	1150.421571	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M-2H+NH4"	16.019271
"872805"	394.153371	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-2H+NH4"	16.019271
"40704"	777.242866	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M-2H+Na"	20.974666
"478081"	1155.376966	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M-2H+Na"	20.974666
"850417"	399.108766	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-2H+Na"	20.974666
"1619222"	399.108766	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Na-2H"	20.974666
"96481"	395.115163	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M-H+Cl"	33.962126
"536403"	584.182213	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M-H+Cl"	33.962126
"929922"	206.048113	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-H+Cl"	33.962126
"273581"	791.237602	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+Cl"	34.969402
"672573"	1169.371702	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+Cl"	34.969402
"1286068"	413.103502	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Cl"	34.969402
"24255"	793.216806	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M-2H+K"	36.948606
"462721"	1171.350906	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M-2H+K"	36.948606
"841616"	415.082706	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-2H+K"	36.948606
"1566198"	415.082706	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+K-2H"	36.948606
"952987"	423.132294	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-H+HCOOH"	44.998194
"372298"	801.266401	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+HCOOH-H"	44.998201
"349621"	815.282051	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+Hac-H"	59.013851
"1497359"	437.147951	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Hac-H"	59.013851
"963809"	445.114251	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-H+NaCOOH"	66.980151
"117094"	413.103502	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+2Cl"	69.938804
"556655"	602.170552	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+2Cl"	69.938804
"1025453"	224.036452	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2Cl"	69.938804
"1246126"	457.052985	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Br"	78.918885
"1309668"	459.108972	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Cl+HCOOH"	80.974872
"1323885"	481.090929	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Cl+NaCOOH"	102.956829
"913120"	491.119686	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M-H+CF3COOH"	112.985586
"1293842"	527.096364	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Cl+CF3COOH"	148.962264
"1370912"	343.121424	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H-2H2O"	-35.012676
"1386221"	361.1314	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H-H2O"	-17.0027
"291376"	757.275476	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+H"	1.007276
"681610"	1135.409576	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+H"	1.007276
"1362334"	379.141376	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H"	1.007276
"136315"	379.141376	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+2H"	2.014552
"579155"	568.208426	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+2H"	2.014552
"1051235"	190.074326	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2H"	2.014552
"211485"	253.096676	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+3H"	3.021828
"650315"	379.141376	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+3H"	3.021828
"1170263"	127.051976	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+3H"	3.021828
"432806"	774.302023	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+NH4"	18.033823
"795625"	1152.436123	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+NH4"	18.033823
"1686126"	396.167923	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+NH4"	18.033823
"336954"	387.6546495	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+H+NH4"	19.041099
"730469"	576.7216995	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+H+NH4"	19.041099
"1479187"	198.5875995	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H+NH4"	19.041099
"400782"	779.257418	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+Na"	22.989218
"755700"	1157.391518	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+Na"	22.989218
"1603684"	401.123318	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Na"	22.989218
"314363"	390.132347	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+H+Na"	23.996494
"718905"	579.199397	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+H+Na"	23.996494
"1474917"	201.065297	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H+Na"	23.996494
"1064880"	134.37929	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2H+Na"	25.00377
"1265465"	411.167586	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+CH3OH+H"	33.033486
"387320"	795.231358	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+K"	38.963158
"747221"	1173.365458	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+K"	38.963158
"1555436"	417.097258	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+K"	38.963158
"312285"	398.119317	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+H+K"	39.970434
"705809"	587.186367	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+H+K"	39.970434
"1460723"	209.052267	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H+K"	39.970434
"250782"	798.302026	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+ACN+H"	42.033826
"1222758"	420.167926	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+ACN+H"	42.033826
"1202266"	210.587601	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+ACN+2H"	43.041102
"203844"	801.23936	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+2Na-H"	44.97116
"633605"	1179.37346	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+2Na-H"	44.97116
"1140392"	423.10526	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2Na-H"	44.97116
"186961"	401.123318	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+2Na"	45.978436
"623240"	590.190368	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+2Na"	45.978436
"1124561"	212.056268	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2Na"	45.978436
"1408085"	141.706604	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H+2Na"	46.985712
"1436920"	425.146846	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H+HCOOH"	47.012746
"225522"	406.15634	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+3H2O+2H"	56.04448
"1510666"	439.19889	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+IsoProp+H"	61.06479
"413269"	409.110288	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+Na+K"	61.952376
"775356"	598.177338	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+Na+K"	61.952376
"1670594"	220.043238	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Na+K"	61.952376
"257845"	820.283968	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+ACN+Na"	64.015768
"1233471"	442.149868	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+ACN+Na"	64.015768
"1719808"	442.173393	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+NH4+HCOOH"	64.039293
"1181881"	149.033918	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+3Na"	68.967654
"1658336"	447.128788	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Na+HCOOH"	68.994688
"160826"	833.18724	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+2K-H"	76.91904
"599658"	1211.32134	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+2K-H"	76.91904
"1087085"	455.05314	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2K-H"	76.91904
"144994"	417.097258	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"2M+2K"	77.926316
"588930"	606.164308	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"3M+2K"	77.926316
"1074534"	228.030208	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2K"	77.926316
"1108837"	457.067692	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2K+H"	78.933592
"1343036"	457.155307	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+DMSO+H"	79.021207
"1013752"	461.194476	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2ACN+H"	83.060376
"1536985"	462.188108	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+IsoProp+Na+H"	84.054008
"999421"	231.100876	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+2ACN+2H"	84.067652
"1600483"	463.102728	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+K+HCOOH"	84.968628
"1419586"	493.134238	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+H+CF3COOH"	115.000138
"1154246"	251.614151	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+3ACN+2H"	125.094202
"1700882"	510.160785	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+NH4+CF3COOH"	132.026685
"1639451"	515.11618	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+Na+CF3COOH"	136.98208
"1580573"	531.09012	"C12229"	"Chelilutine"	"C22H20NO5"	"378.1341"	"M+K+CF3COOH"	152.95602
"816819"	378.1341	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M"	0
"987760"	359.11571	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-H2O-H"	-19.01839
"77094"	251.082124	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M-3H"	-3.021828
"516653"	377.126824	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M-3H"	-3.021828
"892997"	125.037424	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-3H"	-3.021828
"11935"	377.126824	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M-2H"	-2.014552
"454047"	566.193874	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M-2H"	-2.014552
"828204"	188.059774	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-2H"	-2.014552
"80539"	755.260924	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M-H"	-1.007276
"521192"	1133.395024	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M-H"	-1.007276
"898994"	377.126824	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-H"	-1.007276
"47901"	772.287471	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M-2H+NH4"	16.019271
"488554"	1150.421571	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M-2H+NH4"	16.019271
"872915"	394.153371	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-2H+NH4"	16.019271
"40814"	777.242866	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M-2H+Na"	20.974666
"478191"	1155.376966	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M-2H+Na"	20.974666
"854898"	399.108766	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-2H+Na"	20.974666
"1620062"	399.108766	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Na-2H"	20.974666
"95497"	395.115163	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M-H+Cl"	33.962126
"536514"	584.182213	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M-H+Cl"	33.962126
"930032"	206.048113	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-H+Cl"	33.962126
"272599"	791.237602	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+Cl"	34.969402
"673779"	1169.371702	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+Cl"	34.969402
"1286180"	413.103502	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Cl"	34.969402
"26554"	793.216806	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M-2H+K"	36.948606
"467205"	1171.350906	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M-2H+K"	36.948606
"843913"	415.082706	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-2H+K"	36.948606
"1566308"	415.082706	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+K-2H"	36.948606
"955284"	423.132294	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-H+HCOOH"	44.998194
"371315"	801.266401	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+HCOOH-H"	44.998201
"353009"	815.282051	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+Hac-H"	59.013851
"1498563"	437.147951	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Hac-H"	59.013851
"960637"	445.114251	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-H+NaCOOH"	66.980151
"119387"	413.103502	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+2Cl"	69.938804
"554579"	602.170552	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+2Cl"	69.938804
"1028845"	224.036452	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2Cl"	69.938804
"1249517"	457.052985	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Br"	78.918885
"1309778"	459.108972	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Cl+HCOOH"	80.974872
"1323993"	481.090929	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Cl+NaCOOH"	102.956829
"915416"	491.119686	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M-H+CF3COOH"	112.985586
"1296140"	527.096364	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Cl+CF3COOH"	148.962264
"1376489"	343.121424	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H-2H2O"	-35.012676
"1395079"	361.1314	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H-H2O"	-17.0027
"294766"	757.275476	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+H"	1.007276
"682813"	1135.409576	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+H"	1.007276
"1365359"	379.141376	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H"	1.007276
"135331"	379.141376	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+2H"	2.014552
"579265"	568.208426	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+2H"	2.014552
"1048065"	190.074326	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2H"	2.014552
"212688"	253.096676	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+3H"	3.021828
"650425"	379.141376	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+3H"	3.021828
"1167093"	127.051976	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+3H"	3.021828
"431459"	774.302023	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+NH4"	18.033823
"792454"	1152.436123	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+NH4"	18.033823
"1693161"	396.167923	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+NH4"	18.033823
"335972"	387.6546495	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+H+NH4"	19.041099
"732766"	576.7216995	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+H+NH4"	19.041099
"1482211"	198.5875995	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H+NH4"	19.041099
"397612"	779.257418	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+Na"	22.989218
"755687"	1157.391518	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+Na"	22.989218
"1603343"	401.123318	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Na"	22.989218
"316011"	390.132347	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+H+Na"	23.996494
"709171"	579.199397	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+H+Na"	23.996494
"1475758"	201.065297	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H+Na"	23.996494
"1064994"	134.37929	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2H+Na"	25.00377
"1266304"	411.167586	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+CH3OH+H"	33.033486
"388161"	795.231358	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+K"	38.963158
"750978"	1173.365458	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+K"	38.963158
"1555586"	417.097258	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+K"	38.963158
"312274"	398.119317	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+H+K"	39.970434
"707029"	587.186367	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+H+K"	39.970434
"1460102"	209.052267	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H+K"	39.970434
"251390"	798.302026	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+ACN+H"	42.033826
"1223961"	420.167926	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+ACN+H"	42.033826
"1204566"	210.587601	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+ACN+2H"	43.041102
"203673"	801.23936	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+2Na-H"	44.97116
"635904"	1179.37346	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+2Na-H"	44.97116
"1144875"	423.10526	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2Na-H"	44.97116
"188425"	401.123318	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+2Na"	45.978436
"626630"	590.190368	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+2Na"	45.978436
"1131259"	212.056268	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2Na"	45.978436
"1409289"	141.706604	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H+2Na"	46.985712
"1441405"	425.146846	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H+HCOOH"	47.012746
"226725"	406.15634	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+3H2O+2H"	56.04448
"1513693"	439.19889	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+IsoProp+H"	61.06479
"417753"	409.110288	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+Na+K"	61.952376
"776560"	598.177338	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+Na+K"	61.952376
"1672891"	220.043238	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Na+K"	61.952376
"260507"	820.283968	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+ACN+Na"	64.015768
"1233217"	442.149868	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+ACN+Na"	64.015768
"1722105"	442.173393	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+NH4+HCOOH"	64.039293
"1183814"	149.033918	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+3Na"	68.967654
"1658446"	447.128788	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Na+HCOOH"	68.994688
"162029"	833.18724	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+2K-H"	76.91904
"602684"	1211.32134	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+2K-H"	76.91904
"1088288"	455.05314	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2K-H"	76.91904
"145104"	417.097258	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"2M+2K"	77.926316
"591956"	606.164308	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"3M+2K"	77.926316
"1074644"	228.030208	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2K"	77.926316
"1108947"	457.067692	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2K+H"	78.933592
"1344239"	457.155307	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+DMSO+H"	79.021207
"1016779"	461.194476	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2ACN+H"	83.060376
"1536002"	462.188108	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+IsoProp+Na+H"	84.054008
"1000625"	231.100876	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+2ACN+2H"	84.067652
"1600593"	463.102728	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+K+HCOOH"	84.968628
"1422976"	493.134238	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+H+CF3COOH"	115.000138
"1156543"	251.614151	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+3ACN+2H"	125.094202
"1702815"	510.160785	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+NH4+CF3COOH"	132.026685
"1639561"	515.11618	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+Na+CF3COOH"	136.98208
"1580683"	531.09012	"C12230"	"Sanguirubine"	"C22H20NO5"	"378.1341"	"M+K+CF3COOH"	152.95602
"815308"	209.1052	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M"	0
"984585"	190.08681	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-H2O-H"	-19.01839
"75745"	138.396190666667	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M-3H"	-3.021828
"513483"	208.097924	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M-3H"	-3.021828
"888003"	68.6944573333333	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-3H"	-3.021828
"6578"	208.097924	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M-2H"	-2.014552
"449418"	312.650524	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M-2H"	-2.014552
"821753"	103.545324	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-2H"	-2.014552
"78945"	417.203124	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M-H"	-1.007276
"518575"	626.308324	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M-H"	-1.007276
"896670"	208.097924	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-H"	-1.007276
"48132"	434.229671	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M-2H+NH4"	16.019271
"493037"	643.334871	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M-2H+NH4"	16.019271
"873025"	225.124471	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-2H+NH4"	16.019271
"34364"	439.185066	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M-2H+Na"	20.974666
"479394"	648.290266	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M-2H+Na"	20.974666
"861204"	230.079866	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-2H+Na"	20.974666
"1619562"	230.079866	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Na-2H"	20.974666
"94998"	226.086263	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M-H+Cl"	33.962126
"534840"	330.638863	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M-H+Cl"	33.962126
"930867"	121.533663	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-H+Cl"	33.962126
"273799"	453.179802	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+Cl"	34.969402
"672796"	662.285002	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+Cl"	34.969402
"1285196"	244.074602	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Cl"	34.969402
"26664"	455.159006	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M-2H+K"	36.948606
"465129"	664.264206	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M-2H+K"	36.948606
"842930"	246.053806	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-2H+K"	36.948606
"1565325"	246.053806	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+K-2H"	36.948606
"954301"	254.103394	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-H+HCOOH"	44.998194
"374339"	463.208601	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+HCOOH-H"	44.998201
"356399"	477.224251	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+Hac-H"	59.013851
"1500859"	268.119051	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Hac-H"	59.013851
"960747"	276.085351	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-H+NaCOOH"	66.980151
"119497"	244.074602	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+2Cl"	69.938804
"554689"	348.627202	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+2Cl"	69.938804
"1025675"	139.522002	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2Cl"	69.938804
"1252907"	288.024085	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Br"	78.918885
"1312074"	290.080072	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Cl+HCOOH"	80.974872
"1326290"	312.062029	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Cl+NaCOOH"	102.956829
"915526"	322.090786	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M-H+CF3COOH"	112.985586
"1296250"	358.067464	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Cl+CF3COOH"	148.962264
"1375506"	174.092524	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H-2H2O"	-35.012676
"1391909"	192.1025	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H-H2O"	-17.0027
"290502"	419.217676	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+H"	1.007276
"685110"	628.322876	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+H"	1.007276
"1362553"	210.112476	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H"	1.007276
"135441"	210.112476	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+2H"	2.014552
"573908"	314.665076	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+2H"	2.014552
"1048175"	105.559876	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2H"	2.014552
"212798"	140.410742666667	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+3H"	3.021828
"650171"	210.112476	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+3H"	3.021828
"1167202"	70.7090093333333	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+3H"	3.021828
"429382"	436.244223	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+NH4"	18.033823
"791470"	645.349423	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+NH4"	18.033823
"1693271"	227.139023	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+NH4"	18.033823
"333895"	218.6257495	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+H+NH4"	19.041099
"731783"	323.1783495	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+H+NH4"	19.041099
"1481228"	114.0731495	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H+NH4"	19.041099
"397722"	441.199618	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+Na"	22.989218
"754663"	650.304818	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+Na"	22.989218
"1602926"	232.094418	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Na"	22.989218
"315151"	221.103447	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+H+Na"	23.996494
"709281"	325.656047	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+H+Na"	23.996494
"1475139"	116.550847	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H+Na"	23.996494
"1065104"	78.0363233333333	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2H+Na"	25.00377
"1267143"	242.138686	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+CH3OH+H"	33.033486
"387907"	457.173558	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+K"	38.963158
"751088"	666.278758	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+K"	38.963158
"1554606"	248.068358	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+K"	38.963158
"311776"	229.090417	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+H+K"	39.970434
"706279"	333.643017	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+H+K"	39.970434
"1460214"	124.537817	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H+K"	39.970434
"251086"	460.244226	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+ACN+H"	42.033826
"1224800"	251.139026	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+ACN+H"	42.033826
"1205769"	126.073151	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+ACN+2H"	43.041102
"203499"	463.18156	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+2Na-H"	44.97116
"636014"	672.28676	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+2Na-H"	44.97116
"1144985"	254.07636	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2Na-H"	44.97116
"188551"	232.094418	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+2Na"	45.978436
"625647"	336.647018	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+2Na"	45.978436
"1131300"	127.541818	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2Na"	45.978436
"1409399"	85.3636373333333	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H+2Na"	46.985712
"1441515"	256.117946	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H+HCOOH"	47.012746
"226836"	237.12744	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+3H2O+2H"	56.04448
"1517083"	270.16999	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+IsoProp+H"	61.06479
"417499"	240.081388	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+Na+K"	61.952376
"774484"	344.633988	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+Na+K"	61.952376
"1671181"	135.528788	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Na+K"	61.952376
"256972"	482.226168	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+ACN+Na"	64.015768
"1230411"	273.120968	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+ACN+Na"	64.015768
"1722215"	273.144493	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+NH4+HCOOH"	64.039293
"1183560"	92.6909513333333	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+3Na"	68.967654
"1655276"	278.099888	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Na+HCOOH"	68.994688
"161046"	495.12944	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+2K-H"	76.91904
"602794"	704.23464	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+2K-H"	76.91904
"1089491"	286.02424	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2K-H"	76.91904
"144120"	248.068358	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"2M+2K"	77.926316
"590973"	352.620958	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"3M+2K"	77.926316
"1075847"	143.515758	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2K"	77.926316
"1109057"	288.038792	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2K+H"	78.933592
"1344349"	288.126407	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+DMSO+H"	79.021207
"1016161"	292.165576	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2ACN+H"	83.060376
"1538299"	293.159208	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+IsoProp+Na+H"	84.054008
"1003287"	146.586426	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+2ACN+2H"	84.067652
"1599610"	294.073828	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+K+HCOOH"	84.968628
"1423086"	324.105338	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+H+CF3COOH"	115.000138
"1154466"	167.099701	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+3ACN+2H"	125.094202
"1702925"	341.131885	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+NH4+CF3COOH"	132.026685
"1639671"	346.08728	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+Na+CF3COOH"	136.98208
"1580793"	362.06122	"C12231"	"Anhalamine;N-Demethylanhalidine"	"C11H15NO3"	"209.1052"	"M+K+CF3COOH"	152.95602
"816389"	273.1365	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M"	0
"984695"	254.11811	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-H2O-H"	-19.01839
"74032"	181.083724	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M-3H"	-3.021828
"511406"	272.129224	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M-3H"	-3.021828
"887019"	90.038224	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-3H"	-3.021828
"6689"	272.129224	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M-2H"	-2.014552
"448435"	408.697474	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M-2H"	-2.014552
"825144"	135.560974	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-2H"	-2.014552
"79055"	545.265724	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M-H"	-1.007276
"519214"	818.402224	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M-H"	-1.007276
"896660"	272.129224	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-H"	-1.007276
"48484"	562.292271	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M-2H+NH4"	16.019271
"488895"	835.428771	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M-2H+NH4"	16.019271
"867668"	289.155771	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-2H+NH4"	16.019271
"34475"	567.247666	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M-2H+Na"	20.974666
"476224"	840.384166	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M-2H+Na"	20.974666
"854024"	294.111166	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-2H+Na"	20.974666
"1618979"	294.111166	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Na-2H"	20.974666
"94987"	290.117563	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M-H+Cl"	33.962126
"534949"	426.685813	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M-H+Cl"	33.962126
"929882"	153.549313	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-H+Cl"	33.962126
"271722"	581.242402	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+Cl"	34.969402
"673877"	854.378902	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+Cl"	34.969402
"1285305"	308.105902	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Cl"	34.969402
"27865"	583.221606	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M-2H+K"	36.948606
"466331"	856.358106	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M-2H+K"	36.948606
"844133"	310.085106	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-2H+K"	36.948606
"1565433"	310.085106	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+K-2H"	36.948606
"956356"	318.134694	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-H+HCOOH"	44.998194
"370440"	591.271201	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+HCOOH-H"	44.998201
"355417"	605.286851	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+Hac-H"	59.013851
"1500969"	332.150351	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Hac-H"	59.013851
"967417"	340.116651	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-H+NaCOOH"	66.980151
"116327"	308.105902	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+2Cl"	69.938804
"554799"	444.674152	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+2Cl"	69.938804
"1025785"	171.537652	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2Cl"	69.938804
"1253017"	352.055385	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Br"	78.918885
"1315464"	354.111372	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Cl+HCOOH"	80.974872
"1326400"	376.093329	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Cl+NaCOOH"	102.956829
"913084"	386.122086	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M-H+CF3COOH"	112.985586
"1296360"	422.098764	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Cl+CF3COOH"	148.962264
"1375616"	238.123824	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H-2H2O"	-35.012676
"1392019"	256.1338	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H-H2O"	-17.0027
"290612"	547.280276	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+H"	1.007276
"683033"	820.416776	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+H"	1.007276
"1364851"	274.143776	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H"	1.007276
"135552"	274.143776	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+2H"	2.014552
"571831"	410.712026	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+2H"	2.014552
"1046098"	137.575526	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2H"	2.014552
"215093"	183.098276	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+3H"	3.021828
"650281"	274.143776	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+3H"	3.021828
"1164396"	92.052776	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+3H"	3.021828
"428398"	564.306823	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+NH4"	18.033823
"794861"	837.443323	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+NH4"	18.033823
"1691193"	291.170323	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+NH4"	18.033823
"338378"	282.6570495	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+H+NH4"	19.041099
"728612"	419.2252995	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+H+NH4"	19.041099
"1481338"	146.0887995	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H+NH4"	19.041099
"400018"	569.262218	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+Na"	22.989218
"754816"	842.398718	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+Na"	22.989218
"1603401"	296.125718	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Na"	22.989218
"315016"	285.134747	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+H+Na"	23.996494
"711577"	421.702997	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+H+Na"	23.996494
"1475249"	148.566497	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H+Na"	23.996494
"1065578"	99.38009	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2H+Na"	25.00377
"1266888"	306.169986	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+CH3OH+H"	33.033486
"388017"	585.236158	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+K"	38.963158
"750105"	858.372658	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+K"	38.963158
"1554716"	312.099658	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+K"	38.963158
"312251"	293.121717	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+H+K"	39.970434
"705413"	429.689967	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+H+K"	39.970434
"1459232"	156.553467	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H+K"	39.970434
"250626"	588.306826	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+ACN+H"	42.033826
"1224182"	315.170326	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+ACN+H"	42.033826
"1205515"	158.088801	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+ACN+2H"	43.041102
"200571"	591.24416	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+2Na-H"	44.97116
"639404"	864.38066	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+2Na-H"	44.97116
"1144367"	318.10766	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2Na-H"	44.97116
"187904"	296.125718	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+2Na"	45.978436
"625757"	432.693968	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+2Na"	45.978436
"1130361"	159.557468	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2Na"	45.978436
"1407323"	106.707404	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H+2Na"	46.985712
"1435065"	320.149246	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H+HCOOH"	47.012746
"223298"	301.15874	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+3H2O+2H"	56.04448
"1512820"	334.20129	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+IsoProp+H"	61.06479
"411047"	304.112688	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+Na+K"	61.952376
"775687"	440.680938	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+Na+K"	61.952376
"1668009"	167.544438	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Na+K"	61.952376
"256718"	610.288768	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+ACN+Na"	64.015768
"1229427"	337.152268	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+ACN+Na"	64.015768
"1716492"	337.175793	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+NH4+HCOOH"	64.039293
"1184034"	114.034718	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+3Na"	68.967654
"1657574"	342.131188	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Na+HCOOH"	68.994688
"160789"	623.19204	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+2K-H"	76.91904
"599377"	896.32854	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+2K-H"	76.91904
"1087414"	350.05554	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2K-H"	76.91904
"147510"	312.099658	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"2M+2K"	77.926316
"588530"	448.667908	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"3M+2K"	77.926316
"1078148"	175.531408	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2K"	77.926316
"1109899"	352.070092	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2K+H"	78.933592
"1344459"	352.157707	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+DMSO+H"	79.021207
"1018822"	356.196876	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2ACN+H"	83.060376
"1535128"	357.190508	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+IsoProp+Na+H"	84.054008
"1002304"	178.602076	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+2ACN+2H"	84.067652
"1599722"	358.105128	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+K+HCOOH"	84.968628
"1428302"	388.136638	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+H+CF3COOH"	115.000138
"1157856"	199.115351	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+3ACN+2H"	125.094202
"1708501"	405.163185	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+NH4+CF3COOH"	132.026685
"1639781"	410.11858	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+Na+CF3COOH"	136.98208
"1580903"	426.09252	"C12232"	"Sanguinine"	"C16H19NO3"	"273.1365"	"M+K+CF3COOH"	152.95602
"816255"	289.1678	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M"	0
"981526"	270.14941	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"67580"	191.771257333333	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"507140"	288.160524	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"883850"	95.3819906666667	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"6798"	288.160524	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"450730"	432.744424	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"828533"	143.576624	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"84150"	577.328324	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"526990"	866.496124	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"900418"	288.160524	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"49326"	594.354871	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"489978"	883.522671	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"864859"	305.187071	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"34587"	599.310266	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"473537"	888.478066	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"850855"	310.142466	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1619779"	310.142466	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"95826"	306.148863	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"535749"	450.732763	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"928899"	161.564963	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"271832"	613.305002	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"665357"	902.472802	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1278855"	324.137202	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"19227"	615.284206	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"458057"	904.452006	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"837682"	326.116406	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1558983"	326.116406	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"955615"	334.165994	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"370550"	623.333801	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"355527"	637.349451	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1499987"	348.181651	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"964247"	356.147951	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"114249"	324.137202	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"559281"	468.721102	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1023708"	179.553302	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1249847"	368.086685	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1310107"	370.142672	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1326510"	392.124629	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"914286"	402.153386	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1296470"	438.130064	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1375726"	254.155124	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1392129"	272.1651	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"290723"	579.342876	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"688247"	868.510676	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1363140"	290.175076	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"136757"	290.175076	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"574127"	434.758976	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1046208"	145.591176	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"213017"	193.785809333333	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"647475"	290.175076	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1164868"	97.3965426666667	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"427049"	596.369423	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"788774"	885.537223	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1691302"	307.201623	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"334115"	298.6883495	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"727629"	443.2722495	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1479626"	154.1044495	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"395754"	601.324818	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"755050"	890.492618	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1604118"	312.157018	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"315246"	301.166047	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"712780"	445.749947	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1475359"	156.582147	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1065688"	104.723856666667	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1265906"	322.201286	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"387397"	617.298758	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"753825"	906.466558	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1555075"	328.130958	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"313335"	309.153017	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"706376"	453.736917	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1460436"	164.569117	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"250983"	620.369426	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1224418"	331.201626	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1206718"	166.104451	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"202995"	623.30676	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"640243"	912.47456	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1141925"	334.13896	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"184850"	312.157018	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"624777"	456.740918	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1123906"	167.573118	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1405244"	112.051170666667	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1436268"	336.180546	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"223776"	317.19004	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1511837"	350.23259	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"415895"	320.143988	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"772881"	464.727888	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1669943"	175.560088	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"258651"	642.351368	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1233549"	353.183568	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1719519"	353.207093	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1188888"	119.378484666667	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1655498"	358.162488	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"158346"	655.25464	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"601918"	944.42244	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1089711"	366.08684	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"145435"	328.130958	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"591559"	472.714858	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1076435"	183.547058	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1112198"	368.101392	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1348217"	368.189007	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1019545"	372.228176	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1536331"	373.221808	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"1003508"	186.617726	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1599468"	374.136428	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1429141"	404.167938	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1154688"	207.131001	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1704238"	421.194485	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1636612"	426.14988	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1581013"	442.12382	"C12233"	"Lycoramine;12-Dihydrogalanthamine"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"816487"	275.1521	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M"	0
"981636"	256.13371	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-H2O-H"	-19.01839
"65503"	182.427457333333	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M-3H"	-3.021828
"508344"	274.144824	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M-3H"	-3.021828
"894165"	90.7100906666667	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-3H"	-3.021828
"10188"	274.144824	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M-2H"	-2.014552
"450840"	411.720874	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M-2H"	-2.014552
"826455"	136.568774	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-2H"	-2.014552
"82073"	549.296924	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M-H"	-1.007276
"528193"	824.449024	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M-H"	-1.007276
"901621"	274.144824	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-H"	-1.007276
"54903"	566.323471	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M-2H+NH4"	16.019271
"490088"	841.475571	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M-2H+NH4"	16.019271
"865703"	291.171371	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-2H+NH4"	16.019271
"37977"	571.278866	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M-2H+Na"	20.974666
"473528"	846.430966	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M-2H+Na"	20.974666
"853151"	296.126766	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-2H+Na"	20.974666
"1621592"	296.126766	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Na-2H"	20.974666
"95571"	292.133163	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M-H+Cl"	33.962126
"535495"	429.709213	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M-H+Cl"	33.962126
"931198"	154.557113	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-H+Cl"	33.962126
"270849"	585.273602	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+Cl"	34.969402
"666559"	860.425702	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+Cl"	34.969402
"1277869"	310.121502	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Cl"	34.969402
"20430"	587.252806	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M-2H+K"	36.948606
"458895"	862.404906	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M-2H+K"	36.948606
"837792"	312.100706	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-2H+K"	36.948606
"1560186"	312.100706	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+K-2H"	36.948606
"955360"	320.150294	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-H+HCOOH"	44.998194
"368473"	595.302401	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+HCOOH-H"	44.998201
"357824"	609.318051	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+Hac-H"	59.013851
"1497909"	334.165951	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Hac-H"	59.013851
"961073"	342.132251	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-H+NaCOOH"	66.980151
"113266"	310.121502	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+2Cl"	69.938804
"553922"	447.697552	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+2Cl"	69.938804
"1023088"	172.545452	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2Cl"	69.938804
"1247770"	354.070985	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Br"	78.918885
"1307301"	356.126972	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Cl+HCOOH"	80.974872
"1323339"	378.108929	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Cl+NaCOOH"	102.956829
"912938"	388.137686	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M-H+CF3COOH"	112.985586
"1293298"	424.114364	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Cl+CF3COOH"	148.962264
"1373646"	240.139424	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H-2H2O"	-35.012676
"1392236"	258.1494	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H-H2O"	-17.0027
"287551"	551.311476	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+H"	1.007276
"682161"	826.463576	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+H"	1.007276
"1354501"	276.159376	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H"	1.007276
"134680"	276.159376	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+2H"	2.014552
"573144"	413.735426	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+2H"	2.014552
"1047049"	138.583326	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2H"	2.014552
"209481"	184.442009333333	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+3H"	3.021828
"647947"	276.159376	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+3H"	3.021828
"1164616"	92.7246426666667	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+3H"	3.021828
"428253"	568.338023	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+NH4"	18.033823
"789978"	843.490123	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+NH4"	18.033823
"1688133"	293.185923	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+NH4"	18.033823
"336412"	284.6726495	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+H+NH4"	19.041099
"726644"	422.2486995	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+H+NH4"	19.041099
"1479736"	147.0965995	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H+NH4"	19.041099
"394403"	573.293418	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+Na"	22.989218
"756130"	848.445518	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+Na"	22.989218
"1604960"	298.141318	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Na"	22.989218
"314994"	287.150347	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+H+Na"	23.996494
"711797"	424.726397	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+H+Na"	23.996494
"1472917"	149.574297	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H+Na"	23.996494
"1063972"	100.051956666667	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2H+Na"	25.00377
"1272136"	308.185586	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+CH3OH+H"	33.033486
"387871"	589.267358	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+K"	38.963158
"753242"	864.419458	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+K"	38.963158
"1555186"	314.115258	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+K"	38.963158
"314014"	295.137317	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+H+K"	39.970434
"706605"	432.713367	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+H+K"	39.970434
"1452159"	157.561267	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H+K"	39.970434
"247321"	592.338026	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+ACN+H"	42.033826
"1223797"	317.185926	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+ACN+H"	42.033826
"1206464"	159.096601	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+ACN+2H"	43.041102
"201522"	595.27536	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+2Na-H"	44.97116
"638165"	870.42746	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+2Na-H"	44.97116
"1142035"	320.12326	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2Na-H"	44.97116
"183867"	298.141318	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+2Na"	45.978436
"623792"	435.717368	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+2Na"	45.978436
"1124016"	160.565268	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2Na"	45.978436
"1405355"	107.379270666667	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H+2Na"	46.985712
"1437470"	322.164846	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H+HCOOH"	47.012746
"223884"	303.17434	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+3H2O+2H"	56.04448
"1513040"	336.21689	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+IsoProp+H"	61.06479
"413818"	306.128288	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+Na+K"	61.952376
"774812"	443.704338	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+Na+K"	61.952376
"1670781"	168.552238	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Na+K"	61.952376
"256573"	614.319968	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+ACN+Na"	64.015768
"1234752"	339.167868	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+ACN+Na"	64.015768
"1720358"	339.191393	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+NH4+HCOOH"	64.039293
"1191185"	114.706584666667	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+3Na"	68.967654
"1653420"	344.146788	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Na+HCOOH"	68.994688
"160281"	627.22324	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+2K-H"	76.91904
"598261"	902.37534	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+2K-H"	76.91904
"1088728"	352.07114	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2K-H"	76.91904
"151378"	314.115258	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"2M+2K"	77.926316
"590939"	451.691308	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"3M+2K"	77.926316
"1079825"	176.539208	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2K"	77.926316
"1111942"	354.085692	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2K+H"	78.933592
"1349421"	354.173307	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+DMSO+H"	79.021207
"1019410"	358.212476	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2ACN+H"	83.060376
"1536441"	359.206108	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+IsoProp+Na+H"	84.054008
"1003251"	179.609876	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+2ACN+2H"	84.067652
"1596660"	360.120728	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+K+HCOOH"	84.968628
"1428888"	390.152238	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+H+CF3COOH"	115.000138
"1154798"	200.123151	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+3ACN+2H"	125.094202
"1705441"	407.178785	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+NH4+CF3COOH"	132.026685
"1636722"	412.13418	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+Na+CF3COOH"	136.98208
"1581123"	428.10812	"C12234"	"Epinorlycoramine"	"C16H21NO3"	"275.1521"	"M+K+CF3COOH"	152.95602
"815504"	267.1259	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M"	0
"985026"	248.10751	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-H2O-H"	-19.01839
"67800"	177.076657333333	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M-3H"	-3.021828
"515744"	266.118624	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M-3H"	-3.021828
"892818"	88.0346906666667	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-3H"	-3.021828
"8112"	266.118624	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M-2H"	-2.014552
"450950"	399.681574	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M-2H"	-2.014552
"830939"	132.555674	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-2H"	-2.014552
"87651"	533.244524	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M-H"	-1.007276
"528304"	800.370424	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M-H"	-1.007276
"902826"	266.118624	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-H"	-1.007276
"58293"	550.271071	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M-2H+NH4"	16.019271
"490198"	817.396971	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M-2H+NH4"	16.019271
"868000"	283.145171	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-2H+NH4"	16.019271
"35900"	555.226466	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M-2H+Na"	20.974666
"471934"	822.352366	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M-2H+Na"	20.974666
"853264"	288.100566	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-2H+Na"	20.974666
"1619028"	288.100566	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Na-2H"	20.974666
"96042"	284.106963	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M-H+Cl"	33.962126
"536696"	417.669913	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M-H+Cl"	33.962126
"929486"	150.544013	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-H+Cl"	33.962126
"272052"	569.221202	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+Cl"	34.969402
"665576"	836.347102	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+Cl"	34.969402
"1276885"	302.095302	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Cl"	34.969402
"17259"	571.200406	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M-2H+K"	36.948606
"458275"	838.326306	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M-2H+K"	36.948606
"835715"	304.074506	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-2H+K"	36.948606
"1565764"	304.074506	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+K-2H"	36.948606
"954741"	312.124094	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-H+HCOOH"	44.998194
"368583"	579.250001	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+HCOOH-H"	44.998201
"357934"	593.265651	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+Hac-H"	59.013851
"1502392"	326.139751	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Hac-H"	59.013851
"959727"	334.106051	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-H+NaCOOH"	66.980151
"116656"	302.095302	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+2Cl"	69.938804
"554032"	435.658252	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+2Cl"	69.938804
"1025021"	168.532352	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2Cl"	69.938804
"1251160"	346.044785	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Br"	78.918885
"1315796"	348.100772	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Cl+HCOOH"	80.974872
"1324543"	370.082729	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Cl+NaCOOH"	102.956829
"923256"	380.111486	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M-H+CF3COOH"	112.985586
"1295596"	416.088164	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Cl+CF3COOH"	148.962264
"1373757"	232.113224	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H-2H2O"	-35.012676
"1394533"	250.1232	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H-H2O"	-17.0027
"288755"	535.259076	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+H"	1.007276
"683366"	802.384976	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+H"	1.007276
"1360807"	268.133176	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H"	1.007276
"133696"	268.133176	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+2H"	2.014552
"575442"	401.696126	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+2H"	2.014552
"1046429"	134.570226	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2H"	2.014552
"207039"	179.091209333333	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+3H"	3.021828
"645870"	268.133176	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+3H"	3.021828
"1167644"	90.0492426666667	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+3H"	3.021828
"430916"	552.285623	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+NH4"	18.033823
"793006"	819.411523	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+NH4"	18.033823
"1688245"	285.159723	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+NH4"	18.033823
"335428"	276.6464495	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+H+NH4"	19.041099
"728943"	410.2093995	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+H+NH4"	19.041099
"1483856"	143.0834995	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H+NH4"	19.041099
"399256"	557.241018	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+Na"	22.989218
"758064"	824.366918	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+Na"	22.989218
"1607257"	290.115118	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Na"	22.989218
"314413"	279.124147	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+H+Na"	23.996494
"713002"	412.687097	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+H+Na"	23.996494
"1474484"	145.561197	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H+Na"	23.996494
"1062259"	97.3765566666667	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2H+Na"	25.00377
"1272691"	300.159386	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+CH3OH+H"	33.033486
"387981"	573.214958	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+K"	38.963158
"754094"	840.340858	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+K"	38.963158
"1554317"	306.089058	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+K"	38.963158
"314138"	287.111117	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+H+K"	39.970434
"706908"	420.674067	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+H+K"	39.970434
"1460736"	153.548167	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H+K"	39.970434
"248888"	576.285626	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+ACN+H"	42.033826
"1222326"	309.159726	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+ACN+H"	42.033826
"1205480"	155.083501	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+ACN+2H"	43.041102
"200902"	579.22296	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+2Na-H"	44.97116
"640461"	846.34886	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+2Na-H"	44.97116
"1143238"	312.09706	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2Na-H"	44.97116
"183977"	290.115118	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+2Na"	45.978436
"626088"	423.678068	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+2Na"	45.978436
"1125221"	156.552168	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2Na"	45.978436
"1407652"	104.703870666667	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H+2Na"	46.985712
"1436488"	314.138646	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H+HCOOH"	47.012746
"223630"	295.14814	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+3H2O+2H"	56.04448
"1512422"	328.19069	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+IsoProp+H"	61.06479
"412836"	298.102088	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+Na+K"	61.952376
"775651"	431.665038	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+Na+K"	61.952376
"1673445"	164.539138	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Na+K"	61.952376
"255955"	598.267568	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+ACN+Na"	64.015768
"1232675"	331.141668	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+ACN+Na"	64.015768
"1725208"	331.165193	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+NH4+HCOOH"	64.039293
"1190199"	112.031184666667	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+3Na"	68.967654
"1659727"	336.120588	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Na+HCOOH"	68.994688
"157596"	611.17084	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+2K-H"	76.91904
"601045"	878.29674	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+2K-H"	76.91904
"1085313"	344.04494	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2K-H"	76.91904
"148935"	306.089058	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"2M+2K"	77.926316
"589591"	439.652008	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"3M+2K"	77.926316
"1074103"	172.526108	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2K"	77.926316
"1112780"	346.059492	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2K+H"	78.933592
"1349163"	346.147107	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+DMSO+H"	79.021207
"1013319"	350.186276	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2ACN+H"	83.060376
"1536914"	351.179908	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+IsoProp+Na+H"	84.054008
"998986"	175.596776	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+2ACN+2H"	84.067652
"1595676"	352.094528	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+K+HCOOH"	84.968628
"1428995"	382.126038	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+H+CF3COOH"	115.000138
"1161105"	196.110051	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+3ACN+2H"	125.094202
"1704458"	399.152585	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+NH4+CF3COOH"	132.026685
"1635738"	404.10798	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+Na+CF3COOH"	136.98208
"1581233"	420.08192	"C12235"	"Assoanine"	"C17H17NO2"	"267.1259"	"M+K+CF3COOH"	152.95602
"816585"	281.1052	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M"	0
"985136"	262.08681	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-H2O-H"	-19.01839
"63536"	186.396190666667	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M-3H"	-3.021828
"511843"	280.097924	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M-3H"	-3.021828
"891833"	92.6944573333333	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-3H"	-3.021828
"10407"	280.097924	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M-2H"	-2.014552
"448873"	420.650524	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M-2H"	-2.014552
"827769"	139.545324	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-2H"	-2.014552
"87761"	561.203124	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M-H"	-1.007276
"522947"	842.308324	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M-H"	-1.007276
"901842"	280.097924	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-H"	-1.007276
"55123"	578.229671	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M-2H+NH4"	16.019271
"490308"	859.334871	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M-2H+NH4"	16.019271
"865923"	297.124471	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-2H+NH4"	16.019271
"36010"	583.185066	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M-2H+Na"	20.974666
"471681"	864.290266	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M-2H+Na"	20.974666
"853373"	302.079866	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-2H+Na"	20.974666
"1618897"	302.079866	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Na-2H"	20.974666
"94649"	298.086263	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M-H+Cl"	33.962126
"536806"	438.638863	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M-H+Cl"	33.962126
"930324"	157.533663	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-H+Cl"	33.962126
"273255"	597.179802	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+Cl"	34.969402
"663497"	878.285002	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+Cl"	34.969402
"1275171"	316.074602	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Cl"	34.969402
"19551"	599.159006	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M-2H+K"	36.948606
"459112"	880.264206	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M-2H+K"	36.948606
"834727"	318.053806	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-2H+K"	36.948606
"1556149"	318.053806	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+K-2H"	36.948606
"946102"	326.103394	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-H+HCOOH"	44.998194
"362130"	607.208601	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+HCOOH-H"	44.998201
"349296"	621.224251	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+Hac-H"	59.013851
"1494361"	340.119051	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Hac-H"	59.013851
"958660"	348.085351	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-H+NaCOOH"	66.980151
"116766"	316.074602	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+2Cl"	69.938804
"555235"	456.627202	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+2Cl"	69.938804
"1027318"	175.522002	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2Cl"	69.938804
"1251270"	360.024085	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Br"	78.918885
"1315906"	362.080072	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Cl+HCOOH"	80.974872
"1324653"	384.062029	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Cl+NaCOOH"	102.956829
"922273"	394.090786	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M-H+CF3COOH"	112.985586
"1296799"	430.067464	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Cl+CF3COOH"	148.962264
"1377148"	246.092524	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H-2H2O"	-35.012676
"1394643"	264.1025	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H-H2O"	-17.0027
"293237"	563.217676	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+H"	1.007276
"684569"	844.322876	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+H"	1.007276
"1360917"	282.112476	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H"	1.007276
"138179"	282.112476	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+2H"	2.014552
"575552"	422.665076	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+2H"	2.014552
"1046541"	141.559876	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2H"	2.014552
"207878"	188.410742666667	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+3H"	3.021828
"647073"	282.112476	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+3H"	3.021828
"1167754"	94.7090093333334	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+3H"	3.021828
"431026"	580.244223	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+NH4"	18.033823
"790928"	861.349423	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+NH4"	18.033823
"1689447"	299.139023	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+NH4"	18.033823
"335539"	290.6257495	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+H+NH4"	19.041099
"729053"	431.1783495	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+H+NH4"	19.041099
"1480686"	150.0731495	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H+NH4"	19.041099
"394992"	585.199618	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+Na"	22.989218
"759268"	866.304818	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+Na"	22.989218
"1605180"	304.094418	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Na"	22.989218
"315211"	293.103447	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+H+Na"	23.996494
"712018"	433.656047	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+H+Na"	23.996494
"1474594"	152.550847	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H+Na"	23.996494
"1061276"	102.036323333333	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2H+Na"	25.00377
"1270612"	314.138686	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+CH3OH+H"	33.033486
"388091"	601.173558	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+K"	38.963158
"753989"	882.278758	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+K"	38.963158
"1553334"	320.068358	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+K"	38.963158
"313791"	301.090417	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+H+K"	39.970434
"706212"	441.643017	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+H+K"	39.970434
"1457481"	160.537817	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H+K"	39.970434
"249971"	604.244226	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+ACN+H"	42.033826
"1219155"	323.139026	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+ACN+H"	42.033826
"1205224"	162.073151	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+ACN+2H"	43.041102
"199919"	607.18156	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+2Na-H"	44.97116
"639478"	888.28676	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+2Na-H"	44.97116
"1141891"	326.07636	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2Na-H"	44.97116
"181172"	304.094418	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+2Na"	45.978436
"621824"	444.647018	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+2Na"	45.978436
"1120956"	163.541818	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2Na"	45.978436
"1405575"	109.363637333333	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H+2Na"	46.985712
"1434412"	328.117946	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H+HCOOH"	47.012746
"224833"	309.12744	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+3H2O+2H"	56.04448
"1513259"	342.16999	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+IsoProp+H"	61.06479
"413311"	312.081388	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+Na+K"	61.952376
"776490"	452.633988	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+Na+K"	61.952376
"1672462"	171.528788	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Na+K"	61.952376
"255698"	626.226168	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+ACN+Na"	64.015768
"1231692"	345.120968	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+ACN+Na"	64.015768
"1719851"	345.144493	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+NH4+HCOOH"	64.039293
"1187028"	116.690951333333	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+3Na"	68.967654
"1656920"	350.099888	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Na+HCOOH"	68.994688
"157702"	639.12944	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+2K-H"	76.91904
"601155"	920.23464	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+2K-H"	76.91904
"1084773"	358.02424	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2K-H"	76.91904
"149045"	320.068358	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"2M+2K"	77.926316
"588606"	460.620958	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"3M+2K"	77.926316
"1077492"	179.515758	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2K"	77.926316
"1106329"	360.038792	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2K+H"	78.933592
"1348909"	360.126407	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+DMSO+H"	79.021207
"1016709"	364.165576	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2ACN+H"	83.060376
"1537753"	365.159208	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+IsoProp+Na+H"	84.054008
"1001283"	182.586426	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+2ACN+2H"	84.067652
"1595786"	366.073828	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+K+HCOOH"	84.968628
"1429754"	396.105338	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+H+CF3COOH"	115.000138
"1160851"	203.099701	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+3ACN+2H"	125.094202
"1705662"	413.131885	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+NH4+CF3COOH"	132.026685
"1635848"	418.08728	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+Na+CF3COOH"	136.98208
"1581343"	434.06122	"C12236"	"Oxoassoanine;Dihydropratosine"	"C17H15NO3"	"281.1052"	"M+K+CF3COOH"	152.95602
"816456"	331.142	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M"	0
"988163"	312.12361	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-H2O-H"	-19.01839
"71302"	219.754057333333	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M-3H"	-3.021828
"515235"	330.134724	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M-3H"	-3.021828
"888664"	109.373390666667	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-3H"	-3.021828
"9425"	330.134724	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M-2H"	-2.014552
"451170"	495.705724	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M-2H"	-2.014552
"828972"	164.563724	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-2H"	-2.014552
"87871"	661.276724	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M-H"	-1.007276
"526337"	992.418724	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M-H"	-1.007276
"903046"	330.134724	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-H"	-1.007276
"57420"	678.303271	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M-2H+NH4"	16.019271
"490418"	1009.445271	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M-2H+NH4"	16.019271
"865424"	347.161271	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-2H+NH4"	16.019271
"35026"	683.258666	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M-2H+Na"	20.974666
"472521"	1014.400666	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M-2H+Na"	20.974666
"851296"	352.116666	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-2H+Na"	20.974666
"1619737"	352.116666	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Na-2H"	20.974666
"94679"	348.123063	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M-H+Cl"	33.962126
"539104"	513.694063	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M-H+Cl"	33.962126
"930798"	182.552063	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-H+Cl"	33.962126
"270084"	697.253402	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+Cl"	34.969402
"663606"	1028.395402	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+Cl"	34.969402
"1274917"	366.111402	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Cl"	34.969402
"18932"	699.232606	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M-2H+K"	36.948606
"458495"	1030.374606	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M-2H+K"	36.948606
"838118"	368.090606	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-2H+K"	36.948606
"1558689"	368.090606	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+K-2H"	36.948606
"943536"	376.140194	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-H+HCOOH"	44.998194
"365523"	707.282201	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+HCOOH-H"	44.998201
"348311"	721.297851	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+Hac-H"	59.013851
"1493863"	390.155851	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Hac-H"	59.013851
"958594"	398.122151	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-H+NaCOOH"	66.980151
"116876"	366.111402	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+2Cl"	69.938804
"559719"	531.682402	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+2Cl"	69.938804
"1029613"	200.540402	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2Cl"	69.938804
"1252472"	410.060885	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Br"	78.918885
"1314921"	412.116872	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Cl+HCOOH"	80.974872
"1324762"	434.098829	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Cl+NaCOOH"	102.956829
"922383"	444.127586	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M-H+CF3COOH"	112.985586
"1298002"	480.104264	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Cl+CF3COOH"	148.962264
"1379445"	296.129324	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H-2H2O"	-35.012676
"1392567"	314.1393	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H-H2O"	-17.0027
"293347"	663.291276	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+H"	1.007276
"686865"	994.433276	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+H"	1.007276
"1365401"	332.149276	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H"	1.007276
"139748"	332.149276	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+2H"	2.014552
"576756"	497.720276	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+2H"	2.014552
"1047744"	166.578276	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2H"	2.014552
"209811"	221.768609333333	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+3H"	3.021828
"647913"	332.149276	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+3H"	3.021828
"1171145"	111.387942666667	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+3H"	3.021828
"434417"	680.317823	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+NH4"	18.033823
"797600"	1011.459823	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+NH4"	18.033823
"1691743"	349.175823	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+NH4"	18.033823
"335651"	340.6625495	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+H+NH4"	19.041099
"731351"	506.2335495	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+H+NH4"	19.041099
"1487357"	175.0915495	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H+NH4"	19.041099
"403488"	685.273218	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+Na"	22.989218
"760471"	1016.415218	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+Na"	22.989218
"1611851"	354.131218	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Na"	22.989218
"318612"	343.140247	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+H+Na"	23.996494
"715409"	508.711247	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+H+Na"	23.996494
"1470327"	177.569247	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H+Na"	23.996494
"1065762"	118.715256666667	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2H+Na"	25.00377
"1269262"	364.175486	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+CH3OH+H"	33.033486
"390387"	701.247158	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+K"	38.963158
"752480"	1032.389158	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+K"	38.963158
"1552344"	370.105158	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+K"	38.963158
"309885"	351.127217	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+H+K"	39.970434
"707073"	516.698217	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+H+K"	39.970434
"1457591"	185.556217	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H+K"	39.970434
"246192"	704.317826	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+ACN+H"	42.033826
"1222181"	373.175826	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+ACN+H"	42.033826
"1207646"	187.091551	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+ACN+2H"	43.041102
"201488"	707.25516	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+2Na-H"	44.97116
"642993"	1038.39716	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+2Na-H"	44.97116
"1144431"	376.11316	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2Na-H"	44.97116
"184564"	354.131218	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+2Na"	45.978436
"624851"	519.702218	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+2Na"	45.978436
"1127628"	188.560218	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2Na"	45.978436
"1406779"	126.042570666667	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H+2Na"	46.985712
"1437802"	378.154746	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H+HCOOH"	47.012746
"223123"	359.16424	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+3H2O+2H"	56.04448
"1511912"	392.20679	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+IsoProp+H"	61.06479
"414151"	362.118188	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+Na+K"	61.952376
"774780"	527.689188	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+Na+K"	61.952376
"1672572"	196.547188	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Na+K"	61.952376
"256905"	726.299768	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+ACN+Na"	64.015768
"1231802"	395.157768	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+ACN+Na"	64.015768
"1722513"	395.181293	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+NH4+HCOOH"	64.039293
"1186045"	133.369884666667	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+3Na"	68.967654
"1655937"	400.136688	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Na+HCOOH"	68.994688
"158786"	739.20304	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+2K-H"	76.91904
"599078"	1070.34504	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+2K-H"	76.91904
"1084682"	408.06104	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2K-H"	76.91904
"146968"	370.105158	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"2M+2K"	77.926316
"587623"	535.676158	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"3M+2K"	77.926316
"1077602"	204.534158	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2K"	77.926316
"1109719"	410.075592	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2K+H"	78.933592
"1350115"	410.163207	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+DMSO+H"	79.021207
"1019738"	414.202376	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2ACN+H"	83.060376
"1537986"	415.196008	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+IsoProp+Na+H"	84.054008
"1004310"	207.604826	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+2ACN+2H"	84.067652
"1594803"	416.110628	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+K+HCOOH"	84.968628
"1429213"	446.142138	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+H+CF3COOH"	115.000138
"1158408"	228.118101	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+3ACN+2H"	125.094202
"1703584"	463.168685	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+NH4+CF3COOH"	132.026685
"1634621"	468.12408	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+Na+CF3COOH"	136.98208
"1581453"	484.09802	"C12237"	"2-O-Acetylpseudolycorine"	"C18H21NO5"	"331.142"	"M+K+CF3COOH"	152.95602
"815832"	317.1627	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M"	0
"985357"	298.14431	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-H2O-H"	-19.01839
"71409"	210.434524	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M-3H"	-3.021828
"508783"	316.155424	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M-3H"	-3.021828
"889865"	104.713624	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-3H"	-3.021828
"7347"	316.155424	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M-2H"	-2.014552
"451281"	474.736774	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M-2H"	-2.014552
"827990"	157.574074	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-2H"	-2.014552
"87981"	633.318124	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M-H"	-1.007276
"523167"	950.480824	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M-H"	-1.007276
"905344"	316.155424	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-H"	-1.007276
"50971"	650.344671	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M-2H+NH4"	16.019271
"488220"	967.507371	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M-2H+NH4"	16.019271
"868331"	333.181971	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-2H+NH4"	16.019271
"33800"	655.300066	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M-2H+Na"	20.974666
"474698"	972.462766	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M-2H+Na"	20.974666
"856874"	338.137366	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-2H+Na"	20.974666
"1618990"	338.137366	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Na-2H"	20.974666
"96496"	334.143763	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M-H+Cl"	33.962126
"536419"	492.725113	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M-H+Cl"	33.962126
"928360"	175.562413	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-H+Cl"	33.962126
"271293"	669.294802	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+Cl"	34.969402
"662623"	986.457502	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+Cl"	34.969402
"1277208"	352.132102	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Cl"	34.969402
"19772"	671.274006	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M-2H+K"	36.948606
"457270"	988.436706	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M-2H+K"	36.948606
"834583"	354.111306	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-2H+K"	36.948606
"1556253"	354.111306	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+K-2H"	36.948606
"949603"	362.160894	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-H+HCOOH"	44.998194
"363446"	679.323601	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+HCOOH-H"	44.998201
"348422"	693.339251	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+Hac-H"	59.013851
"1493156"	376.176551	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Hac-H"	59.013851
"959084"	384.142851	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-H+NaCOOH"	66.980151
"119173"	352.132102	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+2Cl"	69.938804
"559829"	510.713452	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+2Cl"	69.938804
"1036284"	193.550752	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2Cl"	69.938804
"1248208"	396.081585	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Br"	78.918885
"1311751"	398.137572	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Cl+HCOOH"	80.974872
"1324874"	420.119529	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Cl+NaCOOH"	102.956829
"920308"	430.148286	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M-H+CF3COOH"	112.985586
"1297020"	466.124964	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Cl+CF3COOH"	148.962264
"1371902"	282.150024	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H-2H2O"	-35.012676
"1389399"	300.16	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H-H2O"	-17.0027
"290178"	635.332676	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+H"	1.007276
"683696"	952.495376	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+H"	1.007276
"1364418"	318.169976	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H"	1.007276
"138402"	318.169976	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+2H"	2.014552
"579054"	476.751326	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+2H"	2.014552
"1050039"	159.588626	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2H"	2.014552
"212475"	212.449076	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+3H"	3.021828
"652035"	318.169976	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+3H"	3.021828
"1171255"	106.728176	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+3H"	3.021828
"436714"	652.359223	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+NH4"	18.033823
"797712"	969.521923	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+NH4"	18.033823
"1690763"	335.196523	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+NH4"	18.033823
"339040"	326.6832495	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+H+NH4"	19.041099
"730366"	485.2645995	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+H+NH4"	19.041099
"1485282"	168.1018995	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H+NH4"	19.041099
"402869"	657.314618	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+Na"	22.989218
"764957"	974.477318	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+Na"	22.989218
"1613056"	340.151918	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Na"	22.989218
"319810"	329.160947	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+H+Na"	23.996494
"716612"	487.742297	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+H+Na"	23.996494
"1474813"	170.579597	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H+Na"	23.996494
"1067089"	114.05549	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2H+Na"	25.00377
"1271078"	350.196186	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+CH3OH+H"	33.033486
"390498"	673.288558	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+K"	38.963158
"751498"	990.451258	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+K"	38.963158
"1550265"	356.125858	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+K"	38.963158
"312186"	337.147917	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+H+K"	39.970434
"705587"	495.729267	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+H+K"	39.970434
"1452599"	178.566567	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H+K"	39.970434
"244481"	676.359226	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+ACN+H"	42.033826
"1220468"	359.196526	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+ACN+H"	42.033826
"1204353"	180.101901	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+ACN+2H"	43.041102
"198318"	679.29656	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+2Na-H"	44.97116
"642858"	996.45926	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+2Na-H"	44.97116
"1143569"	362.13386	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2Na-H"	44.97116
"181392"	340.151918	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+2Na"	45.978436
"625325"	498.733268	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+2Na"	45.978436
"1124458"	181.570568	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2Na"	45.978436
"1403608"	121.382804	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H+2Na"	46.985712
"1434631"	364.175446	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H+HCOOH"	47.012746
"224325"	345.18494	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+3H2O+2H"	56.04448
"1513479"	378.22749	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+IsoProp+H"	61.06479
"415351"	348.138888	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+Na+K"	61.952376
"773428"	506.720238	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+Na+K"	61.952376
"1669401"	189.557538	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Na+K"	61.952376
"255921"	698.341168	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+ACN+Na"	64.015768
"1227169"	381.178468	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+ACN+Na"	64.015768
"1721895"	381.201993	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+NH4+HCOOH"	64.039293
"1186155"	128.710118	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+3Na"	68.967654
"1656047"	386.157388	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Na+HCOOH"	68.994688
"162909"	711.24444	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+2K-H"	76.91904
"601377"	1028.40714	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+2K-H"	76.91904
"1091356"	394.08174	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2K-H"	76.91904
"149266"	356.125858	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"2M+2K"	77.926316
"589920"	514.707208	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"3M+2K"	77.926316
"1077712"	197.544508	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2K"	77.926316
"1106549"	396.096292	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2K+H"	78.933592
"1350590"	396.183907	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+DMSO+H"	79.021207
"1020213"	400.223076	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2ACN+H"	83.060376
"1536153"	401.216708	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+IsoProp+Na+H"	84.054008
"1003569"	200.615176	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+2ACN+2H"	84.067652
"1596007"	402.131328	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+K+HCOOH"	84.968628
"1428230"	432.162838	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+H+CF3COOH"	115.000138
"1156331"	221.128451	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+3ACN+2H"	125.094202
"1701507"	449.189385	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+NH4+CF3COOH"	132.026685
"1634609"	454.14478	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+Na+CF3COOH"	136.98208
"1581563"	470.11872	"C12238"	"Papyramine"	"C18H23NO4"	"317.1627"	"M+K+CF3COOH"	152.95602
"816638"	317.1263	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M"	0
"985465"	298.10791	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-H2O-H"	-19.01839
"74803"	210.410257333333	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M-3H"	-3.021828
"515457"	316.119024	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M-3H"	-3.021828
"886695"	104.701490666667	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-3H"	-3.021828
"7456"	316.119024	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M-2H"	-2.014552
"448111"	474.682174	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M-2H"	-2.014552
"825913"	157.555874	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-2H"	-2.014552
"82624"	633.245324	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M-H"	-1.007276
"527651"	950.371624	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M-H"	-1.007276
"906547"	316.119024	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-H"	-1.007276
"57641"	650.271871	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M-2H+NH4"	16.019271
"490639"	967.398171	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M-2H+NH4"	16.019271
"869534"	333.145571	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-2H+NH4"	16.019271
"35248"	655.227266	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M-2H+Na"	20.974666
"475901"	972.353566	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M-2H+Na"	20.974666
"858807"	338.100966	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-2H+Na"	20.974666
"1622142"	338.100966	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Na-2H"	20.974666
"99766"	334.107363	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M-H+Cl"	33.962126
"535435"	492.670513	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M-H+Cl"	33.962126
"929197"	175.544213	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-H+Cl"	33.962126
"271403"	669.222002	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+Cl"	34.969402
"662733"	986.348302	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+Cl"	34.969402
"1276225"	352.095702	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Cl"	34.969402
"19882"	671.201206	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M-2H+K"	36.948606
"460535"	988.327506	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M-2H+K"	36.948606
"834329"	354.074906	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-2H+K"	36.948606
"1558547"	354.074906	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+K-2H"	36.948606
"948620"	362.124494	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-H+HCOOH"	44.998194
"363556"	679.250801	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+HCOOH-H"	44.998201
"346579"	693.266451	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+Hac-H"	59.013851
"1493472"	376.140151	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Hac-H"	59.013851
"958861"	384.106451	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-H+NaCOOH"	66.980151
"116003"	352.095702	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+2Cl"	69.938804
"562126"	510.658852	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+2Cl"	69.938804
"1028740"	193.532552	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2Cl"	69.938804
"1245037"	396.045185	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Br"	78.918885
"1315141"	398.101172	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Cl+HCOOH"	80.974872
"1327170"	420.083129	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Cl+NaCOOH"	102.956829
"922603"	430.111886	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M-H+CF3COOH"	112.985586
"1301502"	466.088564	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Cl+CF3COOH"	148.962264
"1372012"	282.113624	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H-2H2O"	-35.012676
"1392790"	300.1236	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H-H2O"	-17.0027
"293569"	635.259876	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+H"	1.007276
"683806"	952.386176	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+H"	1.007276
"1363434"	318.133576	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H"	1.007276
"137419"	318.133576	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+2H"	2.014552
"575884"	476.696726	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+2H"	2.014552
"1047962"	159.570426	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2H"	2.014552
"208209"	212.424809333333	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+3H"	3.021828
"652143"	318.133576	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+3H"	3.021828
"1170996"	106.716042666667	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+3H"	3.021828
"429895"	652.286423	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+NH4"	18.033823
"789433"	969.412723	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+NH4"	18.033823
"1689775"	335.160123	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+NH4"	18.033823
"342062"	326.6468495	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+H+NH4"	19.041099
"728287"	485.2099995	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+H+NH4"	19.041099
"1478825"	168.0836995	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H+NH4"	19.041099
"401882"	657.241818	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+Na"	22.989218
"759596"	974.368118	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+Na"	22.989218
"1605508"	340.115518	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Na"	22.989218
"317734"	329.124547	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+H+Na"	23.996494
"711249"	487.687697	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+H+Na"	23.996494
"1466166"	170.561397	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H+Na"	23.996494
"1062696"	114.043356666667	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2H+Na"	25.00377
"1263283"	350.159786	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+CH3OH+H"	33.033486
"390608"	673.215758	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+K"	38.963158
"754131"	990.342058	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+K"	38.963158
"1548188"	356.089458	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+K"	38.963158
"313024"	337.111517	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+H+K"	39.970434
"706062"	495.674667	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+H+K"	39.970434
"1449428"	178.548367	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H+K"	39.970434
"242403"	676.286426	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+ACN+H"	42.033826
"1217298"	359.160126	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+ACN+H"	42.033826
"1202276"	180.083701	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+ACN+2H"	43.041102
"197335"	679.22376	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+2Na-H"	44.97116
"639079"	996.35006	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+2Na-H"	44.97116
"1141492"	362.09746	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2Na-H"	44.97116
"183690"	340.115518	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+2Na"	45.978436
"624340"	498.678668	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+2Na"	45.978436
"1120193"	181.552368	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2Na"	45.978436
"1406997"	121.370670666667	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H+2Na"	46.985712
"1435833"	364.139046	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H+HCOOH"	47.012746
"222611"	345.14854	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+3H2O+2H"	56.04448
"1514683"	378.19109	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+IsoProp+H"	61.06479
"414368"	348.102488	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+Na+K"	61.952376
"773174"	506.665638	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+Na+K"	61.952376
"1670604"	189.539338	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Na+K"	61.952376
"257125"	698.268368	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+ACN+Na"	64.015768
"1228010"	381.142068	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+ACN+Na"	64.015768
"1722005"	381.165593	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+NH4+HCOOH"	64.039293
"1182985"	128.697984666667	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+3Na"	68.967654
"1656157"	386.120988	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Na+HCOOH"	68.994688
"163019"	711.17164	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+2K-H"	76.91904
"601487"	1028.29794	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+2K-H"	76.91904
"1090373"	394.04534	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2K-H"	76.91904
"149376"	356.089458	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"2M+2K"	77.926316
"587843"	514.652608	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"3M+2K"	77.926316
"1077821"	197.526308	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2K"	77.926316
"1103379"	396.059892	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2K+H"	78.933592
"1348510"	396.147507	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+DMSO+H"	79.021207
"1015946"	400.186676	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2ACN+H"	83.060376
"1526416"	401.180308	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+IsoProp+Na+H"	84.054008
"992863"	200.596976	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+2ACN+2H"	84.067652
"1595022"	402.094928	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+K+HCOOH"	84.968628
"1425057"	432.126438	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+H+CF3COOH"	115.000138
"1156440"	221.110251	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+3ACN+2H"	125.094202
"1699794"	449.152985	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+NH4+CF3COOH"	132.026685
"1634720"	454.10838	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+Na+CF3COOH"	136.98208
"1581673"	470.08232	"C12239"	"9-O-Demethyl-2alpha-hydroxyhomolycorine"	"C17H19NO5"	"317.1263"	"M+K+CF3COOH"	152.95602
"816173"	445.1737	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M"	0
"985575"	426.15531	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-H2O-H"	-19.01839
"71633"	295.775190666667	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M-3H"	-3.021828
"515567"	444.166424	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M-3H"	-3.021828
"886805"	147.383957333333	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-3H"	-3.021828
"7566"	444.166424	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M-2H"	-2.014552
"448221"	666.753274	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M-2H"	-2.014552
"826023"	221.579574	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-2H"	-2.014552
"84920"	889.340124	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M-H"	-1.007276
"529583"	1334.513824	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M-H"	-1.007276
"907386"	444.166424	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-H"	-1.007276
"58845"	906.366671	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M-2H+NH4"	16.019271
"490749"	1351.540371	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M-2H+NH4"	16.019271
"868551"	461.192971	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-2H+NH4"	16.019271
"37545"	911.322066	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M-2H+Na"	20.974666
"476011"	1356.495766	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M-2H+Na"	20.974666
"858917"	466.148366	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-2H+Na"	20.974666
"1621161"	466.148366	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Na-2H"	20.974666
"106438"	462.154763	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M-H+Cl"	33.962126
"536156"	684.741613	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M-H+Cl"	33.962126
"929672"	239.567913	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-H+Cl"	33.962126
"269323"	925.316802	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+Cl"	34.969402
"665029"	1370.490502	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+Cl"	34.969402
"1275240"	480.143102	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Cl"	34.969402
"18168"	927.296006	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M-2H+K"	36.948606
"457119"	1372.469706	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M-2H+K"	36.948606
"836261"	482.122306	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-2H+K"	36.948606
"1556585"	482.122306	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+K-2H"	36.948606
"946543"	490.171894	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-H+HCOOH"	44.998194
"362933"	935.345601	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+HCOOH-H"	44.998201
"346330"	949.361251	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+Hac-H"	59.013851
"1493092"	504.187551	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Hac-H"	59.013851
"958848"	512.153851	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-H+NaCOOH"	66.980151
"115018"	480.143102	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+2Cl"	69.938804
"562236"	702.729952	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+2Cl"	69.938804
"1029943"	257.556252	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2Cl"	69.938804
"1247334"	524.092585	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Br"	78.918885
"1317438"	526.148572	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Cl+HCOOH"	80.974872
"1327280"	548.130529	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Cl+NaCOOH"	102.956829
"923806"	558.159286	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M-H+CF3COOH"	112.985586
"1299423"	594.135964	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Cl+CF3COOH"	148.962264
"1377589"	410.161024	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H-2H2O"	-35.012676
"1392900"	428.171	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H-H2O"	-17.0027
"292585"	891.354676	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+H"	1.007276
"681729"	1336.528376	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+H"	1.007276
"1361359"	446.180976	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H"	1.007276
"136434"	446.180976	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+2H"	2.014552
"578181"	668.767826	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+2H"	2.014552
"1044792"	223.594126	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2H"	2.014552
"209414"	297.789742666667	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+3H"	3.021828
"655533"	446.180976	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+3H"	3.021828
"1171471"	149.398509333333	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+3H"	3.021828
"430372"	908.381223	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+NH4"	18.033823
"790272"	1353.554923	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+NH4"	18.033823
"1689885"	463.207523	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+NH4"	18.033823
"340350"	454.6942495	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+H+NH4"	19.041099
"730584"	677.2810995	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+H+NH4"	19.041099
"1482217"	232.1073995	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H+NH4"	19.041099
"401992"	913.336618	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+Na"	22.989218
"760799"	1358.510318	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+Na"	22.989218
"1605618"	468.162918	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Na"	22.989218
"317844"	457.171947	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+H+Na"	23.996494
"711359"	679.758797	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+H+Na"	23.996494
"1464089"	234.585097	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H+Na"	23.996494
"1061709"	156.725823333333	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2H+Na"	25.00377
"1264485"	478.207186	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+CH3OH+H"	33.033486
"390718"	929.310558	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+K"	38.963158
"751714"	1374.484258	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+K"	38.963158
"1547204"	484.136858	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+K"	38.963158
"310943"	465.158917	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+H+K"	39.970434
"705559"	687.745767	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+H+K"	39.970434
"1449538"	242.572067	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H+K"	39.970434
"245794"	932.381226	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+ACN+H"	42.033826
"1220688"	487.207526	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+ACN+H"	42.033826
"1202386"	244.107401	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+ACN+2H"	43.041102
"199631"	935.31856	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+2Na-H"	44.97116
"638095"	1380.49226	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+2Na-H"	44.97116
"1144882"	490.14486	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2Na-H"	44.97116
"187079"	468.162918	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+2Na"	45.978436
"625543"	690.749768	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+2Na"	45.978436
"1126862"	245.576068	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2Na"	45.978436
"1410387"	164.053137333333	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H+2Na"	46.985712
"1439223"	492.186446	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H+HCOOH"	47.012746
"224907"	473.19594	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+3H2O+2H"	56.04448
"1513699"	506.23849	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+IsoProp+H"	61.06479
"417758"	476.149888	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+Na+K"	61.952376
"774377"	698.736738	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+Na+K"	61.952376
"1673994"	253.563038	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Na+K"	61.952376
"259422"	954.363168	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+ACN+Na"	64.015768
"1229943"	509.189468	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+ACN+Na"	64.015768
"1722113"	509.212993	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+NH4+HCOOH"	64.039293
"1187468"	171.380451333333	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+3Na"	68.967654
"1658454"	514.168388	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Na+HCOOH"	68.994688
"164222"	967.26644	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+2K-H"	76.91904
"605970"	1412.44014	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+2K-H"	76.91904
"1087202"	522.09274	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2K-H"	76.91904
"150579"	484.136858	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"2M+2K"	77.926316
"583578"	706.723708	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"3M+2K"	77.926316
"1075745"	261.550008	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2K"	77.926316
"1105675"	524.107292	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2K+H"	78.933592
"1339874"	524.194907	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+DMSO+H"	79.021207
"1017150"	528.234076	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2ACN+H"	83.060376
"1536369"	529.227708	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+IsoProp+Na+H"	84.054008
"1000630"	264.620676	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+2ACN+2H"	84.067652
"1588932"	530.142328	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+K+HCOOH"	84.968628
"1422980"	560.173838	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+H+CF3COOH"	115.000138
"1157643"	285.133951	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+3ACN+2H"	125.094202
"1699540"	577.200385	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+NH4+CF3COOH"	132.026685
"1636288"	582.15578	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+Na+CF3COOH"	136.98208
"1581783"	598.12972	"C12240"	"Dubiusine"	"C23H27NO8"	"445.1737"	"M+K+CF3COOH"	152.95602
"814704"	331.1784	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M"	0
"985685"	312.16001	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-H2O-H"	-19.01839
"76484"	219.778324	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M-3H"	-3.021828
"509113"	330.171124	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M-3H"	-3.021828
"880108"	109.385524	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-3H"	-3.021828
"4396"	330.171124	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M-2H"	-2.014552
"448330"	495.760324	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M-2H"	-2.014552
"822853"	164.581924	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-2H"	-2.014552
"83937"	661.349524	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M-H"	-1.007276
"523499"	992.527924	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M-H"	-1.007276
"904580"	330.171124	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-H"	-1.007276
"58590"	678.376071	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M-2H+NH4"	16.019271
"489766"	1009.554471	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M-2H+NH4"	16.019271
"867568"	347.197671	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-2H+NH4"	16.019271
"35470"	683.331466	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M-2H+Na"	20.974666
"477214"	1014.509866	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M-2H+Na"	20.974666
"855017"	352.153066	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-2H+Na"	20.974666
"1620177"	352.153066	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Na-2H"	20.974666
"102173"	348.159463	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M-H+Cl"	33.962126
"537358"	513.748663	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M-H+Cl"	33.962126
"930879"	182.570263	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-H+Cl"	33.962126
"269796"	697.326202	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+Cl"	34.969402
"661860"	1028.504602	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+Cl"	34.969402
"1275350"	366.147802	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Cl"	34.969402
"17914"	699.305406	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M-2H+K"	36.948606
"458567"	1030.483806	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M-2H+K"	36.948606
"835277"	368.127006	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-2H+K"	36.948606
"1556943"	368.127006	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+K-2H"	36.948606
"944830"	376.176594	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-H+HCOOH"	44.998194
"362679"	707.355001	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+HCOOH-H"	44.998201
"346077"	721.370651	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+Hac-H"	59.013851
"1493085"	390.192251	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Hac-H"	59.013851
"958673"	398.158551	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-H+NaCOOH"	66.980151
"112090"	366.147802	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+2Cl"	69.938804
"561253"	531.737002	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+2Cl"	69.938804
"1030053"	200.558602	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2Cl"	69.938804
"1250724"	410.097285	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Br"	78.918885
"1314267"	412.153272	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Cl+HCOOH"	80.974872
"1327389"	434.135229	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Cl+NaCOOH"	102.956829
"917355"	444.163986	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M-H+CF3COOH"	112.985586
"1296253"	480.140664	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Cl+CF3COOH"	148.962264
"1377699"	296.165724	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H-2H2O"	-35.012676
"1394832"	314.1757	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H-H2O"	-17.0027
"293791"	663.364076	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+H"	1.007276
"686212"	994.542476	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+H"	1.007276
"1361469"	332.185676	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H"	1.007276
"137274"	332.185676	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+2H"	2.014552
"579020"	497.774876	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+2H"	2.014552
"1048182"	166.596476	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2H"	2.014552
"212804"	221.792876	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+3H"	3.021828
"656737"	332.185676	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+3H"	3.021828
"1174862"	111.400076	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+3H"	3.021828
"430482"	680.390623	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+NH4"	18.033823
"790384"	1011.569023	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+NH4"	18.033823
"1689995"	349.212223	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+NH4"	18.033823
"340460"	340.6989495	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+H+NH4"	19.041099
"731788"	506.2881495	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+H+NH4"	19.041099
"1482327"	175.1097495	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H+NH4"	19.041099
"402102"	685.346018	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+Na"	22.989218
"760909"	1016.524418	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+Na"	22.989218
"1610103"	354.167618	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Na"	22.989218
"321234"	343.176647	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+H+Na"	23.996494
"711469"	508.765847	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+H+Na"	23.996494
"1467479"	177.587447	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H+Na"	23.996494
"1060729"	118.72739	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2H+Na"	25.00377
"1263499"	364.211886	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+CH3OH+H"	33.033486
"389734"	701.319958	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+K"	38.963158
"751459"	1032.498358	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+K"	38.963158
"1552782"	370.141558	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+K"	38.963158
"310689"	351.163617	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+H+K"	39.970434
"704571"	516.752817	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+H+K"	39.970434
"1450741"	185.574417	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H+K"	39.970434
"243718"	704.390626	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+ACN+H"	42.033826
"1223718"	373.212226	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+ACN+H"	42.033826
"1203591"	187.109751	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+ACN+2H"	43.041102
"197553"	707.32796	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+2Na-H"	44.97116
"637110"	1038.50636	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+2Na-H"	44.97116
"1136242"	376.14956	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2Na-H"	44.97116
"183906"	354.167618	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+2Na"	45.978436
"622374"	519.756818	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+2Na"	45.978436
"1124785"	188.578418	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2Na"	45.978436
"1402843"	126.054704	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H+2Na"	46.985712
"1437146"	378.191146	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H+HCOOH"	47.012746
"223558"	359.20064	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+3H2O+2H"	56.04448
"1513809"	392.24319	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+IsoProp+H"	61.06479
"414591"	362.154588	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+Na+K"	61.952376
"775585"	527.743788	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+Na+K"	61.952376
"1675199"	196.565388	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Na+K"	61.952376
"254066"	726.372568	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+ACN+Na"	64.015768
"1237712"	395.194168	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+ACN+Na"	64.015768
"1725505"	395.217693	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+NH4+HCOOH"	64.039293
"1189766"	133.382018	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+3Na"	68.967654
"1658564"	400.173088	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Na+HCOOH"	68.994688
"164333"	739.27584	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+2K-H"	76.91904
"600611"	1070.45424	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+2K-H"	76.91904
"1085119"	408.09744	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2K-H"	76.91904
"141528"	370.141558	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"2M+2K"	77.926316
"590248"	535.730758	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"3M+2K"	77.926316
"1074761"	204.552358	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2K"	77.926316
"1101285"	410.111992	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2K+H"	78.933592
"1343261"	410.199607	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+DMSO+H"	79.021207
"1009241"	414.238776	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2ACN+H"	83.060376
"1533199"	415.232408	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+IsoProp+Na+H"	84.054008
"996365"	207.623026	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+2ACN+2H"	84.067652
"1589770"	416.147028	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+K+HCOOH"	84.968628
"1423090"	446.178538	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+H+CF3COOH"	115.000138
"1153382"	228.136301	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+3ACN+2H"	125.094202
"1706214"	463.205085	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+NH4+CF3COOH"	132.026685
"1636398"	468.16048	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+Na+CF3COOH"	136.98208
"1581893"	484.13442	"C12241"	"O-Methyllycorenine"	"C19H25NO4"	"331.1784"	"M+K+CF3COOH"	152.95602
"815178"	353.1263	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M"	0
"985795"	334.10791	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-H2O-H"	-19.01839
"76228"	234.410257333333	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M-3H"	-3.021828
"509223"	352.119024	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M-3H"	-3.021828
"880825"	116.701490666667	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-3H"	-3.021828
"2319"	352.119024	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M-2H"	-2.014552
"445160"	528.682174	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M-2H"	-2.014552
"826243"	175.555874	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-2H"	-2.014552
"88421"	705.245324	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M-H"	-1.007276
"526888"	1058.371624	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M-H"	-1.007276
"908700"	352.119024	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-H"	-1.007276
"62591"	722.271871	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M-2H+NH4"	16.019271
"496072"	1075.398171	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M-2H+NH4"	16.019271
"873874"	369.145571	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-2H+NH4"	16.019271
"39953"	727.227266	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M-2H+Na"	20.974666
"482792"	1080.353566	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M-2H+Na"	20.974666
"859136"	374.100966	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-2H+Na"	20.974666
"1626847"	374.100966	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Na-2H"	20.974666
"108969"	370.107363	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M-H+Cl"	33.962126
"547311"	546.670513	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M-H+Cl"	33.962126
"934264"	193.544213	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-H+Cl"	33.962126
"274280"	741.222002	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+Cl"	34.969402
"662698"	1094.348302	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+Cl"	34.969402
"1276556"	388.095702	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Cl"	34.969402
"21304"	743.201206	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M-2H+K"	36.948606
"459041"	1096.327506	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M-2H+K"	36.948606
"835387"	390.074906	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-2H+K"	36.948606
"1556000"	390.074906	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+K-2H"	36.948606
"946763"	398.124494	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-H+HCOOH"	44.998194
"362057"	751.250801	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+HCOOH-H"	44.998201
"346023"	765.266451	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+Hac-H"	59.013851
"1493075"	412.140151	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Hac-H"	59.013851
"958793"	420.106451	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-H+NaCOOH"	66.980151
"115238"	388.095702	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+2Cl"	69.938804
"563186"	564.658852	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+2Cl"	69.938804
"1035266"	211.532552	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2Cl"	69.938804
"1247554"	432.045185	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Br"	78.918885
"1317657"	434.101172	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Cl+HCOOH"	80.974872
"1327498"	456.083129	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Cl+NaCOOH"	102.956829
"919652"	466.111886	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M-H+CF3COOH"	112.985586
"1296364"	502.088564	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Cl+CF3COOH"	148.962264
"1376714"	318.113624	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H-2H2O"	-35.012676
"1395308"	336.1236	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H-H2O"	-17.0027
"293901"	707.259876	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+H"	1.007276
"683041"	1060.386176	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+H"	1.007276
"1361577"	354.133576	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H"	1.007276
"139209"	354.133576	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+2H"	2.014552
"579129"	530.696726	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+2H"	2.014552
"1051209"	177.570426	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2H"	2.014552
"219842"	236.424809333333	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+3H"	3.021828
"659887"	354.133576	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+3H"	3.021828
"1172785"	118.716042666667	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+3H"	3.021828
"434965"	724.286423	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+NH4"	18.033823
"799242"	1077.412723	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+NH4"	18.033823
"1695209"	371.160123	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+NH4"	18.033823
"344580"	362.6468495	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+H+NH4"	19.041099
"731898"	539.2099995	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+H+NH4"	19.041099
"1485718"	186.0836995	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H+NH4"	19.041099
"403306"	729.241818	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+Na"	22.989218
"761020"	1082.368118	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+Na"	22.989218
"1614589"	376.115518	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Na"	22.989218
"320251"	365.124547	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+H+Na"	23.996494
"718141"	541.687697	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+H+Na"	23.996494
"1466495"	188.561397	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H+Na"	23.996494
"1059743"	126.043356666667	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2H+Na"	25.00377
"1264703"	386.159786	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+CH3OH+H"	33.033486
"385464"	745.215758	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+K"	38.963158
"749746"	1098.342058	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+K"	38.963158
"1544144"	392.089458	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+K"	38.963158
"308976"	373.111517	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+H+K"	39.970434
"703953"	549.674667	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+H+K"	39.970434
"1448664"	196.548367	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H+K"	39.970434
"246014"	748.286426	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+ACN+H"	42.033826
"1225164"	395.160126	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+ACN+H"	42.033826
"1200421"	198.083701	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+ACN+2H"	43.041102
"196571"	751.22376	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+2Na-H"	44.97116
"637221"	1104.35006	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+2Na-H"	44.97116
"1135258"	398.09746	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2Na-H"	44.97116
"182922"	376.115518	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+2Na"	45.978436
"621389"	552.678668	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+2Na"	45.978436
"1122708"	199.552368	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2Na"	45.978436
"1405138"	133.370670666667	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H+2Na"	46.985712
"1436162"	400.139046	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H+HCOOH"	47.012746
"223670"	381.14854	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+3H2O+2H"	56.04448
"1512826"	414.19109	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+IsoProp+H"	61.06479
"416523"	384.102488	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+Na+K"	61.952376
"775695"	560.665638	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+Na+K"	61.952376
"1669842"	207.539338	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Na+K"	61.952376
"255269"	770.268368	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+ACN+Na"	64.015768
"1235269"	417.142068	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+ACN+Na"	64.015768
"1722334"	417.165593	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+NH4+HCOOH"	64.039293
"1185502"	140.697984666667	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+3Na"	68.967654
"1656487"	422.120988	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Na+HCOOH"	68.994688
"165172"	783.17164	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+2K-H"	76.91904
"600721"	1136.29794	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+2K-H"	76.91904
"1086327"	430.04534	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2K-H"	76.91904
"143144"	392.089458	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"2M+2K"	77.926316
"588171"	568.652608	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"3M+2K"	77.926316
"1072685"	215.526308	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2K"	77.926316
"1103707"	432.059892	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2K+H"	78.933592
"1340093"	432.147507	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+DMSO+H"	79.021207
"1016278"	436.186676	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2ACN+H"	83.060376
"1536591"	437.180308	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+IsoProp+Na+H"	84.054008
"998664"	218.596976	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+2ACN+2H"	84.067652
"1599726"	438.094928	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+K+HCOOH"	84.968628
"1416272"	468.126438	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+H+CF3COOH"	115.000138
"1150572"	239.110251	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+3ACN+2H"	125.094202
"1701948"	485.152985	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+NH4+CF3COOH"	132.026685
"1635047"	490.10838	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+Na+CF3COOH"	136.98208
"1582003"	506.08232	"C12242"	"Chelidonine"	"C20H19NO5"	"353.1263"	"M+K+CF3COOH"	152.95602
"816834"	257.1416	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M"	0
"986999"	238.12321	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-H2O-H"	-19.01839
"74147"	170.420457333333	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M-3H"	-3.021828
"510429"	256.134324	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M-3H"	-3.021828
"892969"	84.7065906666667	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-3H"	-3.021828
"10085"	256.134324	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M-2H"	-2.014552
"454868"	384.705124	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M-2H"	-2.014552
"826352"	127.563524	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-2H"	-2.014552
"93636"	513.275924	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M-H"	-1.007276
"532594"	770.417524	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M-H"	-1.007276
"910521"	256.134324	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-H"	-1.007276
"56987"	530.302471	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M-2H+NH4"	16.019271
"496548"	787.444071	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M-2H+NH4"	16.019271
"875443"	273.160871	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-2H+NH4"	16.019271
"40064"	535.257866	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M-2H+Na"	20.974666
"481809"	792.399466	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M-2H+Na"	20.974666
"855239"	278.116266	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-2H+Na"	20.974666
"1633724"	278.116266	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Na-2H"	20.974666
"108592"	274.122663	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M-H+Cl"	33.962126
"548763"	402.693463	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M-H+Cl"	33.962126
"934377"	145.551863	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-H+Cl"	33.962126
"271476"	549.252602	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+Cl"	34.969402
"661106"	806.394202	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+Cl"	34.969402
"1275215"	292.111002	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Cl"	34.969402
"16794"	551.231806	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M-2H+K"	36.948606
"458793"	808.373406	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M-2H+K"	36.948606
"832877"	294.090206	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-2H+K"	36.948606
"1557045"	294.090206	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+K-2H"	36.948606
"943593"	302.139794	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-H+HCOOH"	44.998194
"363997"	559.281401	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+HCOOH-H"	44.998201
"346907"	573.297051	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+Hac-H"	59.013851
"1494526"	316.155451	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Hac-H"	59.013851
"958514"	324.121751	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-H+NaCOOH"	66.980151
"115349"	292.111002	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+2Cl"	69.938804
"559285"	420.681802	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+2Cl"	69.938804
"1035012"	163.540202	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2Cl"	69.938804
"1254590"	336.060485	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Br"	78.918885
"1317770"	338.116472	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Cl+HCOOH"	80.974872
"1329795"	360.098429	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Cl+NaCOOH"	102.956829
"916481"	370.127186	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M-H+CF3COOH"	112.985586
"1299390"	406.103864	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Cl+CF3COOH"	148.962264
"1371352"	222.128924	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H-2H2O"	-35.012676
"1388851"	240.1389	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H-H2O"	-17.0027
"296924"	515.290476	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+H"	1.007276
"690077"	772.432076	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+H"	1.007276
"1366060"	258.148876	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H"	1.007276
"140046"	258.148876	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+2H"	2.014552
"576688"	386.719676	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+2H"	2.014552
"1047309"	129.578076	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2H"	2.014552
"213023"	172.435009333333	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+3H"	3.021828
"650397"	258.148876	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+3H"	3.021828
"1175814"	86.7211426666667	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+3H"	3.021828
"431795"	532.317023	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+NH4"	18.033823
"797165"	789.458623	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+NH4"	18.033823
"1695682"	275.175423	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+NH4"	18.033823
"342868"	266.6621495	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+H+NH4"	19.041099
"732009"	395.2329495	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+H+NH4"	19.041099
"1490206"	138.0913495	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H+NH4"	19.041099
"400136"	537.272418	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+Na"	22.989218
"767697"	794.414018	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+Na"	22.989218
"1613243"	280.130818	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Na"	22.989218
"325468"	269.139847	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+H+Na"	23.996494
"712786"	397.710647	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+H+Na"	23.996494
"1468432"	140.569047	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H+Na"	23.996494
"1061679"	94.0484566666667	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2H+Na"	25.00377
"1267365"	290.175086	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+CH3OH+H"	33.033486
"385578"	553.246358	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+K"	38.963158
"746576"	810.387958	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+K"	38.963158
"1548629"	296.104758	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+K"	38.963158
"312008"	277.126817	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+H+K"	39.970434
"706626"	405.697617	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+H+K"	39.970434
"1452055"	148.556017	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H+K"	39.970434
"243938"	556.317026	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+ACN+H"	42.033826
"1222117"	299.175426	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+ACN+H"	42.033826
"1207092"	150.091351	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+ACN+2H"	43.041102
"202151"	559.25436	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+2Na-H"	44.97116
"638428"	816.39596	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+2Na-H"	44.97116
"1141934"	302.11276	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2Na-H"	44.97116
"184126"	280.130818	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+2Na"	45.978436
"620406"	408.701618	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+2Na"	45.978436
"1122818"	151.560018	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2Na"	45.978436
"1406342"	101.375770666667	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H+2Na"	46.985712
"1434085"	304.154346	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H+HCOOH"	47.012746
"225967"	285.16384	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+3H2O+2H"	56.04448
"1514029"	318.20639	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+IsoProp+H"	61.06479
"417361"	288.117788	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+Na+K"	61.952376
"774710"	416.688588	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+Na+K"	61.952376
"1675055"	159.546988	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Na+K"	61.952376
"258661"	578.298968	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+ACN+Na"	64.015768
"1234287"	321.157368	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+ACN+Na"	64.015768
"1725361"	321.180893	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+NH4+HCOOH"	64.039293
"1185612"	108.703084666667	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+3Na"	68.967654
"1661702"	326.136288	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Na+HCOOH"	68.994688
"160178"	591.20224	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+2K-H"	76.91904
"598156"	848.34384	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+2K-H"	76.91904
"1085345"	334.06064	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2K-H"	76.91904
"144348"	296.104758	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"2M+2K"	77.926316
"589375"	424.675558	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"3M+2K"	77.926316
"1079357"	167.533958	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2K"	77.926316
"1109286"	336.075192	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2K+H"	78.933592
"1347857"	336.162807	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+DMSO+H"	79.021207
"1016389"	340.201976	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2ACN+H"	83.060376
"1537796"	341.195608	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+IsoProp+Na+H"	84.054008
"1002054"	170.604626	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+2ACN+2H"	84.067652
"1589991"	342.110228	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+K+HCOOH"	84.968628
"1417845"	372.141738	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+H+CF3COOH"	115.000138
"1151413"	191.117901	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+3ACN+2H"	125.094202
"1698048"	389.168285	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+NH4+CF3COOH"	132.026685
"1634791"	394.12368	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+Na+CF3COOH"	136.98208
"1582113"	410.09762	"C12243"	"(-)-gamma-Lycorane"	"C16H19NO2"	"257.1416"	"M+K+CF3COOH"	152.95602
"814669"	71.0735	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M"	0
"989423"	52.05511	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-H2O-H"	-19.01839
"77546"	46.3750573333333	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M-3H"	-3.021828
"518154"	70.066224	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M-3H"	-3.021828
"892715"	22.6838906666667	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-3H"	-3.021828
"13115"	70.066224	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M-2H"	-2.014552
"455228"	105.602974	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M-2H"	-2.014552
"826462"	34.529474	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-2H"	-2.014552
"91920"	141.139724	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M-H"	-1.007276
"533428"	212.213224	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M-H"	-1.007276
"910988"	70.066224	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-H"	-1.007276
"58191"	158.166271	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M-2H+NH4"	16.019271
"496658"	229.239771	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M-2H+NH4"	16.019271
"871177"	87.092771	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-2H+NH4"	16.019271
"44548"	163.121666	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M-2H+Na"	20.974666
"481922"	234.195166	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M-2H+Na"	20.974666
"860817"	92.048166	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-2H+Na"	20.974666
"1627071"	92.048166	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Na-2H"	20.974666
"101411"	88.054563	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M-H+Cl"	33.962126
"539151"	123.591313	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M-H+Cl"	33.962126
"934487"	52.517813	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-H+Cl"	33.962126
"274137"	177.116402	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+Cl"	34.969402
"662552"	248.189902	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+Cl"	34.969402
"1273866"	106.042902	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Cl"	34.969402
"17518"	179.095606	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M-2H+K"	36.948606
"456227"	250.169106	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M-2H+K"	36.948606
"833541"	108.022106	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-2H+K"	36.948606
"1556058"	108.022106	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+K-2H"	36.948606
"943336"	116.071694	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-H+HCOOH"	44.998194
"368481"	187.145201	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+HCOOH-H"	44.998201
"350177"	201.160851	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+Hac-H"	59.013851
"1496093"	130.087351	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Hac-H"	59.013851
"962177"	138.053651	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-H+NaCOOH"	66.980151
"116553"	106.042902	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+2Cl"	69.938804
"559395"	141.579652	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+2Cl"	69.938804
"1033663"	70.506152	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2Cl"	69.938804
"1254335"	149.992385	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Br"	78.918885
"1316786"	152.048372	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Cl+HCOOH"	80.974872
"1329906"	174.030329	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Cl+NaCOOH"	102.956829
"916592"	184.059086	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M-H+CF3COOH"	112.985586
"1298770"	220.035764	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Cl+CF3COOH"	148.962264
"1372556"	36.060824	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H-2H2O"	-35.012676
"1393336"	54.0708	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H-H2O"	-17.0027
"296670"	143.154276	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+H"	1.007276
"688731"	214.227776	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+H"	1.007276
"1364710"	72.080776	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H"	1.007276
"136869"	72.080776	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+2H"	2.014552
"580449"	107.617526	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+2H"	2.014552
"1051432"	36.544026	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2H"	2.014552
"219662"	48.3896093333333	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+3H"	3.021828
"656704"	72.080776	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+3H"	3.021828
"1169726"	24.6984426666667	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+3H"	3.021828
"431904"	160.180823	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+NH4"	18.033823
"796181"	231.254323	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+NH4"	18.033823
"1689231"	89.107323	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+NH4"	18.033823
"338603"	80.5940495	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+H+NH4"	19.041099
"732118"	116.1307995	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+H+NH4"	19.041099
"1488126"	45.0572995	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H+NH4"	19.041099
"398057"	165.136218	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+Na"	22.989218
"766709"	236.209718	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+Na"	22.989218
"1615905"	94.062718	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Na"	22.989218
"323756"	83.071747	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+H+Na"	23.996494
"716177"	118.608497	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+H+Na"	23.996494
"1468908"	47.534997	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H+Na"	23.996494
"1059967"	32.0257566666667	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2H+Na"	25.00377
"1269662"	104.106986	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+CH3OH+H"	33.033486
"391518"	181.110158	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+K"	38.963158
"751424"	252.183658	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+K"	38.963158
"1554204"	110.036658	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+K"	38.963158
"309202"	91.058717	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+H+K"	39.970434
"706245"	126.595467	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+H+K"	39.970434
"1452165"	55.521967	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H+K"	39.970434
"242955"	184.180826	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+ACN+H"	42.033826
"1220041"	113.107326	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+ACN+H"	42.033826
"1205016"	57.057301	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+ACN+2H"	43.041102
"198980"	187.11816	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+2Na-H"	44.97116
"639631"	258.19166	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+2Na-H"	44.97116
"1143867"	116.04466	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2Na-H"	44.97116
"184605"	94.062718	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+2Na"	45.978436
"623436"	129.599468	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+2Na"	45.978436
"1126577"	58.525968	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2Na"	45.978436
"1410101"	39.3530706666667	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H+2Na"	46.985712
"1439665"	118.086246	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H+HCOOH"	47.012746
"229360"	99.09574	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+3H2O+2H"	56.04448
"1517422"	132.13829	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+IsoProp+H"	61.06479
"421484"	102.049688	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+Na+K"	61.952376
"778835"	137.586438	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+Na+K"	61.952376
"1678448"	66.512938	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Na+K"	61.952376
"260959"	206.162768	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+ACN+Na"	64.015768
"1237678"	135.089268	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+ACN+Na"	64.015768
"1726565"	135.112793	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+NH4+HCOOH"	64.039293
"1184629"	46.6803846666667	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+3Na"	68.967654
"1661084"	140.068188	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Na+HCOOH"	68.994688
"164661"	219.06604	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+2K-H"	76.91904
"603858"	290.13954	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+2K-H"	76.91904
"1085455"	147.99254	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2K-H"	76.91904
"146645"	110.036658	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"2M+2K"	77.926316
"586205"	145.573408	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"3M+2K"	77.926316
"1077280"	74.499908	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2K"	77.926316
"1108302"	150.007092	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2K+H"	78.933592
"1344688"	150.094707	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+DMSO+H"	79.021207
"1014312"	154.133876	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2ACN+H"	83.060376
"1532438"	155.127508	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+IsoProp+Na+H"	84.054008
"1001071"	77.570576	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+2ACN+2H"	84.067652
"1594477"	156.042128	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+K+HCOOH"	84.968628
"1422325"	186.073638	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+H+CF3COOH"	115.000138
"1149700"	98.083851	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+3ACN+2H"	125.094202
"1703262"	203.100185	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+NH4+CF3COOH"	132.026685
"1636724"	208.05558	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+Na+CF3COOH"	136.98208
"1582223"	224.02952	"C12244"	"3-Buten-1-amine"	"C4H9N"	"71.0735"	"M+K+CF3COOH"	152.95602
"815509"	197.08	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M"	0
"986125"	178.06161	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-H2O-H"	-19.01839
"72180"	130.379390666667	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M-3H"	-3.021828
"511743"	196.072724	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M-3H"	-3.021828
"892825"	64.6860573333333	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-3H"	-3.021828
"5933"	196.072724	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M-2H"	-2.014552
"450958"	294.612724	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M-2H"	-2.014552
"823292"	97.532724	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-2H"	-2.014552
"92030"	393.152724	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M-H"	-1.007276
"528312"	590.232724	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M-H"	-1.007276
"911057"	196.072724	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-H"	-1.007276
"56115"	410.179271	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M-2H+NH4"	16.019271
"494581"	607.259271	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M-2H+NH4"	16.019271
"870194"	213.099271	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-2H+NH4"	16.019271
"38097"	415.134666	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M-2H+Na"	20.974666
"482031"	612.214666	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M-2H+Na"	20.974666
"853271"	218.054666	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-2H+Na"	20.974666
"1624992"	218.054666	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Na-2H"	20.974666
"100428"	214.061063	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M-H+Cl"	33.962126
"537802"	312.601063	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M-H+Cl"	33.962126
"933504"	115.521063	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-H+Cl"	33.962126
"272788"	429.129402	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+Cl"	34.969402
"663026"	626.209402	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+Cl"	34.969402
"1275066"	232.049402	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Cl"	34.969402
"16899"	431.108606	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M-2H+K"	36.948606
"457918"	628.188606	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M-2H+K"	36.948606
"833286"	234.028606	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-2H+K"	36.948606
"1555924"	234.028606	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+K-2H"	36.948606
"942958"	242.078194	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-H+HCOOH"	44.998194
"370778"	439.158201	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+HCOOH-H"	44.998201
"347370"	453.173851	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+Hac-H"	59.013851
"1496203"	256.093851	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Hac-H"	59.013851
"961922"	264.060151	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-H+NaCOOH"	66.980151
"115569"	232.049402	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+2Cl"	69.938804
"560598"	330.589402	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+2Cl"	69.938804
"1031585"	133.509402	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2Cl"	69.938804
"1254445"	275.998885	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Br"	78.918885
"1316894"	278.054872	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Cl+HCOOH"	80.974872
"1327830"	300.036829	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Cl+NaCOOH"	102.956829
"917795"	310.065586	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M-H+CF3COOH"	112.985586
"1290495"	346.042264	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Cl+CF3COOH"	148.962264
"1372666"	162.067324	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H-2H2O"	-35.012676
"1390164"	180.0773	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H-H2O"	-17.0027
"293133"	395.167276	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+H"	1.007276
"690908"	592.247276	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+H"	1.007276
"1363365"	198.087276	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H"	1.007276
"136615"	198.087276	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+2H"	2.014552
"579466"	296.627276	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+2H"	2.014552
"1051178"	99.547276	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2H"	2.014552
"219443"	132.393942666667	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+3H"	3.021828
"656450"	198.087276	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+3H"	3.021828
"1170930"	66.7006093333333	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+3H"	3.021828
"432015"	412.193823	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+NH4"	18.033823
"795199"	609.273823	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+NH4"	18.033823
"1694445"	215.113823	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+NH4"	18.033823
"338713"	206.6005495	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+H+NH4"	19.041099
"732228"	305.1405495	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+H+NH4"	19.041099
"1484956"	108.0605495	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H+NH4"	19.041099
"397074"	417.149218	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+Na"	22.989218
"765726"	614.229218	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+Na"	22.989218
"1617715"	220.069218	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Na"	22.989218
"324961"	209.078247	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+H+Na"	23.996494
"719569"	307.618247	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+H+Na"	23.996494
"1465737"	110.538247	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H+Na"	23.996494
"1063358"	74.0279233333333	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2H+Na"	25.00377
"1272445"	230.113486	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+CH3OH+H"	33.033486
"391263"	433.123158	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+K"	38.963158
"750804"	630.203158	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+K"	38.963158
"1554314"	236.043158	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+K"	38.963158
"310405"	217.065217	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+H+K"	39.970434
"706475"	315.605217	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+H+K"	39.970434
"1450087"	118.525217	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H+K"	39.970434
"236988"	436.193826	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+ACN+H"	42.033826
"1217963"	239.113826	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+ACN+H"	42.033826
"1201846"	120.060551	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+ACN+2H"	43.041102
"197996"	439.13116	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+2Na-H"	44.97116
"638648"	636.21116	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+2Na-H"	44.97116
"1143247"	242.05116	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2Na-H"	44.97116
"183254"	220.069218	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+2Na"	45.978436
"624640"	318.609218	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+2Na"	45.978436
"1128144"	121.529218	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2Na"	45.978436
"1408751"	81.3552373333333	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H+2Na"	46.985712
"1434305"	244.092746	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H+HCOOH"	47.012746
"226188"	225.10224	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+3H2O+2H"	56.04448
"1518989"	258.14479	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+IsoProp+H"	61.06479
"420865"	228.056188	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+Na+K"	61.952376
"777120"	326.596188	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+Na+K"	61.952376
"1674546"	129.516188	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Na+K"	61.952376
"262530"	458.175768	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+ACN+Na"	64.015768
"1237792"	261.095768	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+ACN+Na"	64.015768
"1725949"	261.119293	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+NH4+HCOOH"	64.039293
"1184739"	88.6825513333333	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+3Na"	68.967654
"1660101"	266.074688	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Na+HCOOH"	68.994688
"159303"	471.07904	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+2K-H"	76.91904
"603239"	668.15904	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+2K-H"	76.91904
"1088845"	273.99904	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2K-H"	76.91904
"152951"	236.043158	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"2M+2K"	77.926316
"586315"	334.583158	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"3M+2K"	77.926316
"1078483"	137.503158	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2K"	77.926316
"1102217"	276.013592	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2K+H"	78.933592
"1346984"	276.101207	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+DMSO+H"	79.021207
"1014422"	280.140376	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2ACN+H"	83.060376
"1535829"	281.134008	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+IsoProp+Na+H"	84.054008
"1002275"	140.573826	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+2ACN+2H"	84.067652
"1591307"	282.048628	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+K+HCOOH"	84.968628
"1421342"	312.080138	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+H+CF3COOH"	115.000138
"1152726"	161.087101	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+3ACN+2H"	125.094202
"1700092"	329.106685	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+NH4+CF3COOH"	132.026685
"1634768"	334.06208	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+Na+CF3COOH"	136.98208
"1582333"	350.03602	"C12245"	"Methyl5-(but-3-en-1-yl)amino-134-oxadiazole-2-carboxylate"	"C8H11N3O3"	"197.08"	"M+K+CF3COOH"	152.95602
"812702"	639.3043	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M"	0
"982956"	620.28591	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-H2O-H"	-19.01839
"69010"	425.195590666667	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M-3H"	-3.021828
"512943"	638.297024	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M-3H"	-3.021828
"888559"	212.094157333333	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-3H"	-3.021828
"9322"	638.297024	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M-2H"	-2.014552
"447790"	957.949174	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M-2H"	-2.014552
"829961"	318.644874	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-2H"	-2.014552
"93763"	1277.601324	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M-H"	-1.007276
"532672"	1916.905624	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M-H"	-1.007276
"908410"	638.297024	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-H"	-1.007276
"59506"	1294.627871	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M-2H+NH4"	16.019271
"495785"	1933.932171	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M-2H+NH4"	16.019271
"875776"	655.323571	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-2H+NH4"	16.019271
"43675"	1299.583266	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M-2H+Na"	20.974666
"483235"	1938.887566	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M-2H+Na"	20.974666
"857756"	660.278966	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-2H+Na"	20.974666
"1625104"	660.278966	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Na-2H"	20.974666
"103818"	656.285363	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M-H+Cl"	33.962126
"537549"	975.937513	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M-H+Cl"	33.962126
"933614"	336.633213	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-H+Cl"	33.962126
"271443"	1313.578002	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+Cl"	34.969402
"660709"	1952.882302	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+Cl"	34.969402
"1283570"	674.273702	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Cl"	34.969402
"29407"	1315.557206	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M-2H+K"	36.948606
"464592"	1954.861506	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M-2H+K"	36.948606
"847501"	676.252906	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-2H+K"	36.948606
"1564790"	676.252906	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+K-2H"	36.948606
"948297"	684.302494	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-H+HCOOH"	44.998194
"368705"	1323.606801	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+HCOOH-H"	44.998201
"351496"	1337.622451	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+Hac-H"	59.013851
"1504700"	698.318151	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Hac-H"	59.013851
"970055"	706.284451	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-H+NaCOOH"	66.980151
"117868"	674.273702	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+2Cl"	69.938804
"558523"	993.925852	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+2Cl"	69.938804
"1027321"	354.621552	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2Cl"	69.938804
"1247994"	718.223185	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Br"	78.918885
"1314817"	720.279172	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Cl+HCOOH"	80.974872
"1326846"	742.261129	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Cl+NaCOOH"	102.956829
"914990"	752.289886	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M-H+CF3COOH"	112.985586
"1293520"	788.266564	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Cl+CF3COOH"	148.962264
"1376789"	604.291624	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H-2H2O"	-35.012676
"1394287"	622.3016	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H-H2O"	-17.0027
"295072"	1279.615876	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+H"	1.007276
"689679"	1918.920176	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+H"	1.007276
"1364937"	640.311576	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H"	1.007276
"140011"	640.311576	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+2H"	2.014552
"577384"	959.963726	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+2H"	2.014552
"1048005"	320.659426	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2H"	2.014552
"217607"	427.210142666667	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+3H"	3.021828
"658626"	640.311576	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+3H"	3.021828
"1172498"	214.108709333333	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+3H"	3.021828
"429938"	1296.642423	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+NH4"	18.033823
"793120"	1935.946723	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+NH4"	18.033823
"1689451"	657.338123	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+NH4"	18.033823
"334812"	648.8248495	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+H+NH4"	19.041099
"730148"	968.4769995	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+H+NH4"	19.041099
"1482879"	329.1726995	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H+NH4"	19.041099
"407028"	1301.597818	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+Na"	22.989218
"765837"	1940.902118	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+Na"	22.989218
"1610658"	662.293518	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Na"	22.989218
"319603"	651.302547	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+H+Na"	23.996494
"714210"	970.954697	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+H+Na"	23.996494
"1470219"	331.650397	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H+Na"	23.996494
"1059093"	221.436023333333	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2H+Na"	25.00377
"1261867"	672.337786	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+CH3OH+H"	33.033486
"388093"	1317.571758	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+K"	38.963158
"750185"	1956.876058	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+K"	38.963158
"1553331"	678.267458	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+K"	38.963158
"309424"	659.289517	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+H+K"	39.970434
"699658"	978.941667	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+H+K"	39.970434
"1446553"	339.637367	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H+K"	39.970434
"238796"	1320.642426	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+ACN+H"	42.033826
"1212599"	681.338126	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+ACN+H"	42.033826
"1199762"	341.172701	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+ACN+2H"	43.041102
"194820"	1323.57976	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+2Na-H"	44.97116
"636568"	1962.88406	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+2Na-H"	44.97116
"1136793"	684.27546	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2Na-H"	44.97116
"177897"	662.293518	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+2Na"	45.978436
"619644"	981.945668	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+2Na"	45.978436
"1120960"	342.641368	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2Na"	45.978436
"1399137"	228.763337333333	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H+2Na"	46.985712
"1431135"	686.317046	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H+HCOOH"	47.012746
"224109"	667.32654	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+3H2O+2H"	56.04448
"1516547"	700.36909	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+IsoProp+H"	61.06479
"416234"	670.280488	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+Na+K"	61.952376
"779420"	989.932638	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+Na+K"	61.952376
"1675754"	350.628338	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Na+K"	61.952376
"258994"	1342.624368	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+ACN+Na"	64.015768
"1236808"	703.320068	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+ACN+Na"	64.015768
"1724600"	703.343593	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+NH4+HCOOH"	64.039293
"1189590"	236.090651333333	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+3Na"	68.967654
"1661300"	708.298988	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Na+HCOOH"	68.994688
"164882"	1355.52764	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+2K-H"	76.91904
"607722"	1994.83194	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+2K-H"	76.91904
"1095151"	716.22334	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2K-H"	76.91904
"151239"	678.267458	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"2M+2K"	77.926316
"594081"	997.919608	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"3M+2K"	77.926316
"1081874"	358.615308	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2K"	77.926316
"1106337"	718.237892	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2K+H"	78.933592
"1349281"	718.325507	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+DMSO+H"	79.021207
"1018905"	722.364676	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2ACN+H"	83.060376
"1530468"	723.358308	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+IsoProp+Na+H"	84.054008
"996914"	361.685976	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+2ACN+2H"	84.067652
"1593607"	724.272928	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+K+HCOOH"	84.968628
"1422549"	754.304438	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+H+CF3COOH"	115.000138
"1148824"	382.199251	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+3ACN+2H"	125.094202
"1699106"	771.330985	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+NH4+CF3COOH"	132.026685
"1634386"	776.28638	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+Na+CF3COOH"	136.98208
"1582443"	792.26032	"C12246"	"Protorifamycin I"	"C35H45NO10"	"639.3043"	"M+K+CF3COOH"	152.95602
"811718"	655.2993	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M"	0
"988534"	636.28091	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-H2O-H"	-19.01839
"76779"	435.858924	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M-3H"	-3.021828
"509773"	654.292024	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M-3H"	-3.021828
"887574"	217.425824	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-3H"	-3.021828
"8335"	654.292024	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M-2H"	-2.014552
"447899"	981.941674	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M-2H"	-2.014552
"826792"	326.642374	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-2H"	-2.014552
"91887"	1309.591324	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M-H"	-1.007276
"529623"	1964.890624	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M-H"	-1.007276
"909858"	654.292024	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-H"	-1.007276
"58522"	1326.617871	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M-2H+NH4"	16.019271
"495895"	1981.917171	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M-2H+NH4"	16.019271
"872606"	671.318571	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-2H+NH4"	16.019271
"41598"	1331.573266	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M-2H+Na"	20.974666
"483345"	1986.872566	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M-2H+Na"	20.974666
"858960"	676.273966	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-2H+Na"	20.974666
"1626307"	676.273966	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Na-2H"	20.974666
"101742"	672.280363	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M-H+Cl"	33.962126
"539118"	999.930013	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M-H+Cl"	33.962126
"935910"	344.630713	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-H+Cl"	33.962126
"270825"	1345.568002	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+Cl"	34.969402
"660451"	2000.867302	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+Cl"	34.969402
"1273837"	690.268702	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Cl"	34.969402
"17486"	1347.547206	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M-2H+K"	36.948606
"459235"	2002.846506	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M-2H+K"	36.948606
"843600"	692.247906	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-2H+K"	36.948606
"1564900"	692.247906	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+K-2H"	36.948606
"947314"	700.297494	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-H+HCOOH"	44.998194
"375011"	1355.596801	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+HCOOH-H"	44.998201
"360353"	1369.612451	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+Hac-H"	59.013851
"1504810"	714.313151	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Hac-H"	59.013851
"969071"	722.279451	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-H+NaCOOH"	66.980151
"113603"	690.268702	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+2Cl"	69.938804
"555352"	1017.918352	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+2Cl"	69.938804
"1030712"	362.619052	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2Cl"	69.938804
"1248104"	734.218185	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Br"	78.918885
"1314929"	736.274172	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Cl+HCOOH"	80.974872
"1328049"	758.256129	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Cl+NaCOOH"	102.956829
"912548"	768.284886	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M-H+CF3COOH"	112.985586
"1293630"	804.261564	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Cl+CF3COOH"	148.962264
"1370701"	620.286624	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H-2H2O"	-35.012676
"1394761"	638.2966	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H-H2O"	-17.0027
"295183"	1311.605876	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+H"	1.007276
"690156"	1966.905176	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+H"	1.007276
"1365412"	656.306576	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H"	1.007276
"139394"	656.306576	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+2H"	2.014552
"577861"	983.956226	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+2H"	2.014552
"1049210"	328.656926	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2H"	2.014552
"218330"	437.873476	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+3H"	3.021828
"658129"	656.306576	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+3H"	3.021828
"1173701"	219.440376	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+3H"	3.021828
"428955"	1328.632423	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+NH4"	18.033823
"793229"	1983.931723	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+NH4"	18.033823
"1693208"	673.333123	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+NH4"	18.033823
"341119"	664.8198495	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+H+NH4"	19.041099
"731352"	992.4694995	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+H+NH4"	19.041099
"1481895"	337.1701995	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H+NH4"	19.041099
"405682"	1333.587818	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+Na"	22.989218
"763760"	1988.887118	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+Na"	22.989218
"1611862"	678.288518	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Na"	22.989218
"324452"	667.297547	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+H+Na"	23.996494
"713226"	994.947197	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+H+Na"	23.996494
"1471059"	339.647897	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H+Na"	23.996494
"1060296"	226.76769	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2H+Na"	25.00377
"1264164"	688.332786	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+CH3OH+H"	33.033486
"387841"	1349.561758	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+K"	38.963158
"747014"	2004.861058	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+K"	38.963158
"1550890"	694.262458	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+K"	38.963158
"313784"	675.284517	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+H+K"	39.970434
"700861"	1002.934167	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+H+K"	39.970434
"1448121"	347.634867	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H+K"	39.970434
"237816"	1352.632426	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+ACN+H"	42.033826
"1212708"	697.333126	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+ACN+H"	42.033826
"1200966"	349.170201	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+ACN+2H"	43.041102
"196023"	1355.56976	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+2Na-H"	44.97116
"636677"	2010.86906	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+2Na-H"	44.97116
"1134715"	700.27046	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2Na-H"	44.97116
"178006"	678.288518	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+2Na"	45.978436
"614651"	1005.938168	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+2Na"	45.978436
"1119976"	350.638868	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2Na"	45.978436
"1402406"	234.095004	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H+2Na"	46.985712
"1432338"	702.312046	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H+HCOOH"	47.012746
"224218"	683.32154	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+3H2O+2H"	56.04448
"1512283"	716.36409	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+IsoProp+H"	61.06479
"410877"	686.275488	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+Na+K"	61.952376
"782813"	1013.925138	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+Na+K"	61.952376
"1678418"	358.625838	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Na+K"	61.952376
"260199"	1374.614368	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+ACN+Na"	64.015768
"1239837"	719.315068	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+ACN+Na"	64.015768
"1725806"	719.338593	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+NH4+HCOOH"	64.039293
"1191523"	241.422318	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+3Na"	68.967654
"1659227"	724.293988	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Na+HCOOH"	68.994688
"170462"	1387.51764	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+2K-H"	76.91904
"606741"	2042.81694	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+2K-H"	76.91904
"1095627"	732.21834	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2K-H"	76.91904
"152446"	694.262458	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"2M+2K"	77.926316
"595285"	1021.912108	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"3M+2K"	77.926316
"1082957"	366.612808	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2K"	77.926316
"1114711"	734.232892	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2K+H"	78.933592
"1351012"	734.320507	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+DMSO+H"	79.021207
"1017921"	738.359676	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2ACN+H"	83.060376
"1534953"	739.353308	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+IsoProp+Na+H"	84.054008
"997024"	369.683476	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+2ACN+2H"	84.067652
"1595904"	740.267928	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+K+HCOOH"	84.968628
"1417192"	770.299438	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+H+CF3COOH"	115.000138
"1152947"	390.196751	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+3ACN+2H"	125.094202
"1700310"	787.325985	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+NH4+CF3COOH"	132.026685
"1634869"	792.28138	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+Na+CF3COOH"	136.98208
"1582553"	808.25532	"C12247"	"Rifamycin W"	"C35H45NO11"	"655.2993"	"M+K+CF3COOH"	152.95602
"811828"	202.0338	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M"	0
"989251"	183.01541	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-H2O-H"	-19.01839
"77860"	133.681924	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M-3H"	-3.021828
"514261"	201.026524	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M-3H"	-3.021828
"884407"	66.337324	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-3H"	-3.021828
"9543"	201.026524	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M-2H"	-2.014552
"450197"	302.043424	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M-2H"	-2.014552
"831279"	100.009624	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-2H"	-2.014552
"90172"	403.060324	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M-H"	-1.007276
"529733"	605.094124	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M-H"	-1.007276
"904254"	201.026524	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-H"	-1.007276
"57538"	420.086871	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M-2H+NH4"	16.019271
"497099"	622.120671	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M-2H+NH4"	16.019271
"872716"	218.053071	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-2H+NH4"	16.019271
"40614"	425.042266	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M-2H+Na"	20.974666
"479083"	627.076066	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M-2H+Na"	20.974666
"859069"	223.008466	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-2H+Na"	20.974666
"1623503"	223.008466	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Na-2H"	20.974666
"101853"	219.014863	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M-H+Cl"	33.962126
"539229"	320.031763	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M-H+Cl"	33.962126
"932742"	117.997963	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-H+Cl"	33.962126
"269115"	439.037002	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+Cl"	34.969402
"660438"	641.070802	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+Cl"	34.969402
"1275040"	237.003202	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Cl"	34.969402
"20876"	441.016206	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M-2H+K"	36.948606
"460439"	643.050006	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M-2H+K"	36.948606
"840430"	238.982406	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-2H+K"	36.948606
"1565010"	238.982406	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+K-2H"	36.948606
"943899"	247.031994	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-H+HCOOH"	44.998194
"368924"	449.065801	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+HCOOH-H"	44.998201
"357183"	463.081451	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+Hac-H"	59.013851
"1504556"	261.047651	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Hac-H"	59.013851
"969181"	269.013951	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-H+NaCOOH"	66.980151
"114807"	237.003202	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+2Cl"	69.938804
"555462"	338.020102	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+2Cl"	69.938804
"1029729"	135.986302	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2Cl"	69.938804
"1247121"	280.952685	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Br"	78.918885
"1312850"	283.008672	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Cl+HCOOH"	80.974872
"1330345"	304.990629	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Cl+NaCOOH"	102.956829
"914846"	315.019386	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M-H+CF3COOH"	112.985586
"1291554"	350.996064	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Cl+CF3COOH"	148.962264
"1371905"	167.021124	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H-2H2O"	-35.012676
"1394871"	185.0311	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H-H2O"	-17.0027
"296016"	405.074876	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+H"	1.007276
"689534"	607.108676	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+H"	1.007276
"1365521"	203.041076	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H"	1.007276
"139868"	203.041076	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+2H"	2.014552
"574688"	304.057976	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+2H"	2.014552
"1051144"	102.024176	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2H"	2.014552
"218317"	135.696476	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+3H"	3.021828
"654958"	203.041076	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+3H"	3.021828
"1173445"	68.351876	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+3H"	3.021828
"433439"	422.101423	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+NH4"	18.033823
"794433"	624.135223	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+NH4"	18.033823
"1693682"	220.067623	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+NH4"	18.033823
"341230"	211.5543495	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+H+NH4"	19.041099
"731464"	312.5712495	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+H+NH4"	19.041099
"1482006"	110.5374495	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H+NH4"	19.041099
"405792"	427.056818	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+Na"	22.989218
"769547"	629.090618	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+Na"	22.989218
"1613067"	225.023018	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Na"	22.989218
"326020"	214.032047	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+H+Na"	23.996494
"717347"	315.048947	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+H+Na"	23.996494
"1466069"	113.015147	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H+Na"	23.996494
"1061502"	75.67919	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2H+Na"	25.00377
"1267554"	235.067286	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+CH3OH+H"	33.033486
"389774"	443.030758	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+K"	38.963158
"747855"	645.064558	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+K"	38.963158
"1548814"	240.996958	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+K"	38.963158
"308545"	222.019017	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+H+K"	39.970434
"699878"	323.035917	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+H+K"	39.970434
"1447501"	121.002117	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H+K"	39.970434
"235897"	446.101426	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+ACN+H"	42.033826
"1211724"	244.067626	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+ACN+H"	42.033826
"1195610"	122.537451	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+ACN+2H"	43.041102
"195039"	449.03876	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+2Na-H"	44.97116
"633508"	651.07256	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+2Na-H"	44.97116
"1133732"	247.00496	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2Na-H"	44.97116
"177023"	225.023018	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+2Na"	45.978436
"613667"	326.039918	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+2Na"	45.978436
"1118993"	124.006118	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2Na"	45.978436
"1399600"	83.006504	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H+2Na"	46.985712
"1430257"	249.046546	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H+HCOOH"	47.012746
"221169"	230.05604	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+3H2O+2H"	56.04448
"1512393"	263.09859	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+IsoProp+H"	61.06479
"410255"	233.009988	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+Na+K"	61.952376
"778546"	334.026888	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+Na+K"	61.952376
"1678527"	131.993088	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Na+K"	61.952376
"263588"	468.083368	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+ACN+Na"	64.015768
"1237758"	266.049568	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+ACN+Na"	64.015768
"1727497"	266.073093	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+NH4+HCOOH"	64.039293
"1191997"	90.333818	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+3Na"	68.967654
"1659337"	271.028488	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Na+HCOOH"	68.994688
"167292"	480.98664	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+2K-H"	76.91904
"606851"	683.02044	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+2K-H"	76.91904
"1096466"	278.95284	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2K-H"	76.91904
"153649"	240.996958	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"2M+2K"	77.926316
"595396"	342.013858	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"3M+2K"	77.926316
"1083314"	139.980058	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2K"	77.926316
"1114210"	280.967392	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2K+H"	78.933592
"1349501"	281.055007	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+DMSO+H"	79.021207
"1020707"	285.094176	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2ACN+H"	83.060376
"1537250"	286.087808	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+IsoProp+Na+H"	84.054008
"1000414"	143.050726	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+2ACN+2H"	84.067652
"1594920"	287.002428	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+K+HCOOH"	84.968628
"1422770"	317.033938	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+H+CF3COOH"	115.000138
"1153058"	163.564001	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+3ACN+2H"	125.094202
"1700421"	334.060485	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+NH4+CF3COOH"	132.026685
"1638262"	339.01588	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+Na+CF3COOH"	136.98208
"1582663"	354.98982	"C12248"	"5-Hydroxy-2-oxo-4-ureido-25-dihydro-1H-imidazole-5-carboxylate;2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline"	"C5H6N4O5"	"202.0338"	"M+K+CF3COOH"	152.95602
"811938"	448.1006	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M"	0
"988997"	429.08221	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"69344"	297.726457333333	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"514371"	447.093324	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"884517"	148.359590666667	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"9653"	447.093324	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"452493"	671.143624	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"831998"	223.043024	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"89193"	895.193924	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"528749"	1343.294524	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"903271"	447.093324	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"54367"	912.220471	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"501462"	1360.321071	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"872826"	464.119871	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"40724"	917.175866	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"482473"	1365.276466	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"858086"	469.075266	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1625434"	469.075266	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"104150"	465.081663	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"540432"	689.131963	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"933946"	241.031363	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"270317"	931.170602	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"660793"	1379.271202	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1277337"	483.070002	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"20986"	933.149806	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"463829"	1381.250406	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"842723"	485.049206	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1567307"	485.049206	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"945711"	493.098794	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"367941"	941.199401	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"357293"	955.215051	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1505030"	507.114451	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"967104"	515.080751	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"114916"	483.070002	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"555572"	707.120302	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1024370"	259.019702	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1248324"	527.019485	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1314053"	529.075472	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1329362"	551.057429	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"913862"	561.086186	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1292392"	597.062864	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1370191"	413.087924	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1390606"	431.0979	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"296126"	897.208476	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"690736"	1345.309076	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1365266"	449.107876	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"140583"	449.107876	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"578809"	673.158176	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1050889"	225.057576	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"217696"	299.741009333333	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"657986"	449.107876	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1173555"	150.374142666667	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"434642"	914.235023	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"794543"	1362.335623	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1693063"	466.134423	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"341340"	457.6211495	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"731572"	681.6714495	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1481023"	233.5708495	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"407358"	919.190418	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"769087"	1367.291018	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1616820"	471.089818	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"326494"	460.098847	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"715633"	684.149147	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1474558"	236.048547	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1063798"	157.701456666667	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1267664"	481.134086	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"389518"	935.164358	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"752338"	1383.264958	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1554393"	487.063758	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"310845"	468.085817	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"704361"	692.136117	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1459637"	244.035517	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"236212"	938.235026	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1210376"	490.134426	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1197908"	245.570851	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"190780"	941.17236	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"632525"	1389.27296	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1132991"	493.07176	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"176040"	471.089818	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"613535"	695.140118	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1119104"	247.039518	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1400441"	165.028770666667	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1430856"	495.113346	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"220553"	476.12284	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1514693"	509.16539	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"413286"	479.076788	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"783396"	703.127088	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1677177"	255.026488	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"261512"	960.216968	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1238595"	512.116368	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1726757"	512.139893	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1193851"	172.356084666667	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1660540"	517.095288	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"160842"	973.12024	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"601495"	1421.22084	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1096941"	525.01964	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"153758"	487.063758	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"594413"	711.114058	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1083181"	263.013458	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1115175"	527.034192	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1350220"	527.121807	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1019234"	531.160976	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1531892"	532.154608	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"1000524"	266.084126	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1588833"	533.069228	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1422880"	563.100738	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1153168"	286.597401	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1698708"	580.127285	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1638372"	585.08268	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1582773"	601.05662	"C12249"	"Kaempferol 3-O-glucoside;Kaempferol 3-O-beta-D-glucoside;Astragalin"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"813142"	265.0739	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M"	0
"988863"	246.05551	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-H2O-H"	-19.01839
"72734"	175.708657333333	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M-3H"	-3.021828
"510107"	264.066624	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M-3H"	-3.021828
"887907"	87.3506906666667	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-3H"	-3.021828
"10856"	264.066624	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M-2H"	-2.014552
"452603"	396.603574	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M-2H"	-2.014552
"831498"	131.529674	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-2H"	-2.014552
"87115"	529.140524	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M-H"	-1.007276
"527768"	794.214424	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M-H"	-1.007276
"902287"	264.066624	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-H"	-1.007276
"54477"	546.167071	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M-2H+NH4"	16.019271
"497319"	811.240971	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M-2H+NH4"	16.019271
"871842"	281.093171	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-2H+NH4"	16.019271
"38648"	551.122466	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M-2H+Na"	20.974666
"480396"	816.196366	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M-2H+Na"	20.974666
"858196"	286.048566	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-2H+Na"	20.974666
"1624452"	286.048566	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Na-2H"	20.974666
"100978"	282.054963	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M-H+Cl"	33.962126
"540541"	414.591913	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M-H+Cl"	33.962126
"935146"	149.518013	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-H+Cl"	33.962126
"270425"	565.117202	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+Cl"	34.969402
"661391"	830.191102	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+Cl"	34.969402
"1280727"	300.043302	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Cl"	34.969402
"21096"	567.096406	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M-2H+K"	36.948606
"463939"	832.170306	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M-2H+K"	36.948606
"842833"	302.022506	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-2H+K"	36.948606
"1567417"	302.022506	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+K-2H"	36.948606
"950924"	310.072094	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-H+HCOOH"	44.998194
"369144"	575.146001	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+HCOOH-H"	44.998201
"355215"	589.161651	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+Hac-H"	59.013851
"1501860"	324.087751	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Hac-H"	59.013851
"967214"	332.054051	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-H+NaCOOH"	66.980151
"112107"	300.043302	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+2Cl"	69.938804
"551667"	432.580252	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+2Cl"	69.938804
"1024481"	167.506352	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2Cl"	69.938804
"1250621"	343.992785	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Br"	78.918885
"1311976"	346.048772	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Cl+HCOOH"	80.974872
"1330565"	368.030729	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Cl+NaCOOH"	102.956829
"914701"	378.059486	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M-H+CF3COOH"	112.985586
"1292138"	414.036164	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Cl+CF3COOH"	148.962264
"1371394"	230.061224	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H-2H2O"	-35.012676
"1390716"	248.0712	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H-H2O"	-17.0027
"293683"	531.155076	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+H"	1.007276
"690117"	796.228976	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+H"	1.007276
"1366468"	266.081176	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H"	1.007276
"140814"	266.081176	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+2H"	2.014552
"578554"	398.618126	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+2H"	2.014552
"1050634"	133.544226	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2H"	2.014552
"216711"	177.723209333333	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+3H"	3.021828
"657366"	266.081176	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+3H"	3.021828
"1172572"	89.3652426666667	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+3H"	3.021828
"434752"	548.181623	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+NH4"	18.033823
"794653"	813.255523	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+NH4"	18.033823
"1692080"	283.107723	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+NH4"	18.033823
"338170"	274.5944495	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+H+NH4"	19.041099
"732775"	407.1313995	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+H+NH4"	19.041099
"1484407"	142.0574995	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H+NH4"	19.041099
"406375"	553.137018	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+Na"	22.989218
"768954"	818.210918	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+Na"	22.989218
"1617294"	288.063118	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Na"	22.989218
"326604"	277.072147	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+H+Na"	23.996494
"715743"	409.609097	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+H+Na"	23.996494
"1475032"	144.535197	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H+Na"	23.996494
"1066095"	96.6925566666666	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2H+Na"	25.00377
"1265587"	298.107386	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+CH3OH+H"	33.033486
"392424"	569.110958	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+K"	38.963158
"753541"	834.184858	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+K"	38.963158
"1555477"	304.037058	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+K"	38.963158
"313869"	285.059117	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+H+K"	39.970434
"707078"	417.596067	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+H+K"	39.970434
"1461192"	152.522167	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H+K"	39.970434
"240332"	572.181626	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+ACN+H"	42.033826
"1217415"	307.107726	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+ACN+H"	42.033826
"1199112"	154.057501	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+ACN+2H"	43.041102
"193077"	575.11896	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+2Na-H"	44.97116
"632635"	840.19286	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+2Na-H"	44.97116
"1133101"	310.04506	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2Na-H"	44.97116
"176149"	288.063118	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+2Na"	45.978436
"614738"	420.600068	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+2Na"	45.978436
"1118120"	155.526168	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2Na"	45.978436
"1401645"	104.019870666667	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H+2Na"	46.985712
"1432667"	312.086646	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H+HCOOH"	47.012746
"221634"	293.09614	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+3H2O+2H"	56.04448
"1515895"	326.13869	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+IsoProp+H"	61.06479
"414489"	296.050088	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+Na+K"	61.952376
"780955"	428.587038	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+Na+K"	61.952376
"1677288"	163.513138	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Na+K"	61.952376
"263809"	594.163568	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+ACN+Na"	64.015768
"1237611"	329.089668	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+ACN+Na"	64.015768
"1726499"	329.113193	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+NH4+HCOOH"	64.039293
"1192705"	111.347184666667	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+3Na"	68.967654
"1658463"	334.068588	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Na+HCOOH"	68.994688
"164232"	607.06684	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+2K-H"	76.91904
"604885"	872.14074	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+2K-H"	76.91904
"1099120"	341.99294	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2K-H"	76.91904
"153868"	304.037058	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"2M+2K"	77.926316
"594523"	436.574008	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"3M+2K"	77.926316
"1083165"	171.500108	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2K"	77.926316
"1115532"	344.007492	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2K+H"	78.933592
"1350576"	344.095107	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+DMSO+H"	79.021207
"1019344"	348.134276	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2ACN+H"	83.060376
"1533095"	349.127908	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+IsoProp+Na+H"	84.054008
"1000634"	174.570776	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+2ACN+2H"	84.067652
"1588943"	350.042528	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+K+HCOOH"	84.968628
"1419710"	380.074038	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+H+CF3COOH"	115.000138
"1150362"	195.084051	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+3ACN+2H"	125.094202
"1697724"	397.100585	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+NH4+CF3COOH"	132.026685
"1635566"	402.05598	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+Na+CF3COOH"	136.98208
"1586163"	418.02992	"C12250"	"Anhydrolycorinone"	"C16H11NO3"	"265.0739"	"M+K+CF3COOH"	152.95602
"815438"	249.9491	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M"	0
"987880"	230.93071	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-H2O-H"	-19.01839
"73937"	165.625457333333	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M-3H"	-3.021828
"509123"	248.941824	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M-3H"	-3.021828
"884736"	82.3090906666667	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-3H"	-3.021828
"8778"	248.941824	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M-2H"	-2.014552
"452712"	373.916374	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M-2H"	-2.014552
"827233"	123.967274	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-2H"	-2.014552
"89414"	498.890924	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M-H"	-1.007276
"524597"	748.840024	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M-H"	-1.007276
"902397"	248.941824	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-H"	-1.007276
"54587"	515.917471	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M-2H+NH4"	16.019271
"496336"	765.866571	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M-2H+NH4"	16.019271
"871952"	265.968371	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-2H+NH4"	16.019271
"38758"	520.872866	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M-2H+Na"	20.974666
"480506"	770.821966	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M-2H+Na"	20.974666
"856119"	270.923766	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-2H+Na"	20.974666
"1624562"	270.923766	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Na-2H"	20.974666
"98902"	266.930163	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M-H+Cl"	33.962126
"539554"	391.904713	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M-H+Cl"	33.962126
"933070"	141.955613	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-H+Cl"	33.962126
"269804"	534.867602	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+Cl"	34.969402
"660894"	784.816702	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+Cl"	34.969402
"1277557"	284.918502	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Cl"	34.969402
"21206"	536.846806	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M-2H+K"	36.948606
"460769"	786.795906	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M-2H+K"	36.948606
"839663"	286.897706	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-2H+K"	36.948606
"1567163"	286.897706	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+K-2H"	36.948606
"951034"	294.947294	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-H+HCOOH"	44.998194
"373262"	544.896401	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+HCOOH-H"	44.998201
"353138"	558.912051	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+Hac-H"	59.013851
"1499052"	308.962951	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Hac-H"	59.013851
"965137"	316.929251	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-H+NaCOOH"	66.980151
"111124"	284.918502	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+2Cl"	69.938804
"551413"	409.893052	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+2Cl"	69.938804
"1023132"	159.943952	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2Cl"	69.938804
"1250731"	328.867985	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Br"	78.918885
"1315366"	330.923972	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Cl+HCOOH"	80.974872
"1329582"	352.905929	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Cl+NaCOOH"	102.956829
"914082"	362.934686	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M-H+CF3COOH"	112.985586
"1290425"	398.911364	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Cl+CF3COOH"	148.962264
"1368588"	214.936424	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H-2H2O"	-35.012676
"1393012"	232.9464	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H-H2O"	-17.0027
"293793"	500.905476	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+H"	1.007276
"690227"	750.854576	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+H"	1.007276
"1366676"	250.956376	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H"	1.007276
"139101"	250.956376	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+2H"	2.014552
"580124"	375.930926	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+2H"	2.014552
"1052611"	125.981826	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2H"	2.014552
"218645"	167.640009333333	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+3H"	3.021828
"657842"	250.956376	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+3H"	3.021828
"1174505"	84.3236426666667	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+3H"	3.021828
"433769"	517.932023	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+NH4"	18.033823
"795856"	767.881123	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+NH4"	18.033823
"1693283"	267.982923	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+NH4"	18.033823
"339373"	259.4696495	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+H+NH4"	19.041099
"731793"	384.4441995	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+H+NH4"	19.041099
"1484517"	134.4950995	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H+NH4"	19.041099
"405392"	522.887418	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+Na"	22.989218
"767848"	772.836518	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+Na"	22.989218
"1614489"	272.938318	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Na"	22.989218
"327807"	261.947347	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+H+Na"	23.996494
"714760"	386.921897	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+H+Na"	23.996494
"1474049"	136.972797	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H+Na"	23.996494
"1067297"	91.6509566666667	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2H+Na"	25.00377
"1271163"	282.982586	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+CH3OH+H"	33.033486
"392293"	538.861358	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+K"	38.963158
"752799"	788.810458	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+K"	38.963158
"1555443"	288.912258	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+K"	38.963158
"308876"	269.934317	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+H+K"	39.970434
"706888"	394.908867	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+H+K"	39.970434
"1459491"	144.959767	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H+K"	39.970434
"244815"	541.932026	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+ACN+H"	42.033826
"1216432"	291.982926	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+ACN+H"	42.033826
"1203594"	146.495101	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+ACN+2H"	43.041102
"198651"	544.86936	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+2Na-H"	44.97116
"632745"	794.81846	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+2Na-H"	44.97116
"1134063"	294.92026	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2Na-H"	44.97116
"175287"	272.938318	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+2Na"	45.978436
"615819"	397.912868	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+2Na"	45.978436
"1118229"	147.963768	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2Na"	45.978436
"1402848"	98.9782706666667	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H+2Na"	46.985712
"1432777"	296.961846	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H+HCOOH"	47.012746
"222473"	277.97134	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+3H2O+2H"	56.04448
"1517098"	311.01389	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+IsoProp+H"	61.06479
"417878"	280.925288	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+Na+K"	61.952376
"783252"	405.899838	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+Na+K"	61.952376
"1679220"	155.950738	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Na+K"	61.952376
"265378"	563.913968	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+ACN+Na"	64.015768
"1239179"	313.964868	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+ACN+Na"	64.015768
"1727460"	313.988393	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+NH4+HCOOH"	64.039293
"1192691"	106.305584666667	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+3Na"	68.967654
"1661854"	318.943788	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Na+HCOOH"	68.994688
"169808"	576.81724	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+2K-H"	76.91904
"601715"	826.76634	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+2K-H"	76.91904
"1098257"	326.86814	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2K-H"	76.91904
"151792"	288.912258	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"2M+2K"	77.926316
"595605"	413.886808	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"3M+2K"	77.926316
"1083642"	163.937708	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2K"	77.926316
"1115360"	328.882692	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2K+H"	78.933592
"1348737"	328.970307	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+DMSO+H"	79.021207
"1018360"	333.009476	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2ACN+H"	83.060376
"1533205"	334.003108	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+IsoProp+Na+H"	84.054008
"998558"	167.008376	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+2ACN+2H"	84.067652
"1590876"	334.917728	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+K+HCOOH"	84.968628
"1419820"	364.949238	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+H+CF3COOH"	115.000138
"1153388"	187.521651	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+3ACN+2H"	125.094202
"1698198"	381.975785	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+NH4+CF3COOH"	132.026685
"1636040"	386.93118	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+Na+CF3COOH"	136.98208
"1586273"	402.90512	"C12251"	"2-Iodo-6-methoxyphenol"	"C7H7IO2"	"249.9491"	"M+K+CF3COOH"	152.95602
"813362"	379.0419	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M"	0
"985803"	360.02351	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-H2O-H"	-19.01839
"70767"	251.687324	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M-3H"	-3.021828
"507047"	378.034624	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M-3H"	-3.021828
"884846"	125.340024	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-3H"	-3.021828
"8888"	378.034624	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M-2H"	-2.014552
"452822"	567.555574	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M-2H"	-2.014552
"820783"	188.513674	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-2H"	-2.014552
"91709"	757.076524	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M-H"	-1.007276
"525800"	1136.118424	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M-H"	-1.007276
"904695"	378.034624	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-H"	-1.007276
"56884"	774.103071	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M-2H+NH4"	16.019271
"495353"	1153.144971	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M-2H+NH4"	16.019271
"869875"	395.061171	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-2H+NH4"	16.019271
"38867"	779.058466	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M-2H+Na"	20.974666
"476241"	1158.100366	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M-2H+Na"	20.974666
"854041"	400.016566	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-2H+Na"	20.974666
"1621392"	400.016566	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Na-2H"	20.974666
"96826"	396.022963	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M-H+Cl"	33.962126
"535657"	585.543913	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M-H+Cl"	33.962126
"929900"	206.502013	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-H+Cl"	33.962126
"269550"	793.053202	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+Cl"	34.969402
"660887"	1172.095102	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+Cl"	34.969402
"1273285"	414.011302	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Cl"	34.969402
"21316"	795.032406	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M-2H+K"	36.948606
"461972"	1174.074306	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M-2H+K"	36.948606
"837950"	415.990506	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-2H+K"	36.948606
"1557428"	415.990506	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+K-2H"	36.948606
"943241"	424.040094	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-H+HCOOH"	44.998194
"373372"	803.082001	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+HCOOH-H"	44.998201
"354341"	817.097651	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+Hac-H"	59.013851
"1499162"	438.055751	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Hac-H"	59.013851
"965247"	446.022051	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-H+NaCOOH"	66.980151
"110547"	414.011302	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+2Cl"	69.938804
"550795"	603.532252	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+2Cl"	69.938804
"1023970"	224.490352	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2Cl"	69.938804
"1245373"	457.960785	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Br"	78.918885
"1315476"	460.016772	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Cl+HCOOH"	80.974872
"1329692"	481.998729	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Cl+NaCOOH"	102.956829
"913099"	492.027486	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M-H+CF3COOH"	112.985586
"1289318"	528.004164	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Cl+CF3COOH"	148.962264
"1367318"	344.029224	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H-2H2O"	-35.012676
"1387654"	362.0392	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H-H2O"	-17.0027
"293903"	759.091076	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+H"	1.007276
"690337"	1138.132976	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+H"	1.007276
"1366798"	380.049176	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H"	1.007276
"137022"	380.049176	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+2H"	2.014552
"580233"	569.570126	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+2H"	2.014552
"1052313"	190.528226	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2H"	2.014552
"219365"	253.701876	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+3H"	3.021828
"658679"	380.049176	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+3H"	3.021828
"1174252"	127.354576	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+3H"	3.021828
"433879"	776.117623	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+NH4"	18.033823
"795967"	1155.159523	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+NH4"	18.033823
"1692301"	397.075723	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+NH4"	18.033823
"339483"	388.5624495	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+H+NH4"	19.041099
"729717"	578.0833995	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+H+NH4"	19.041099
"1482440"	199.0414995	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H+NH4"	19.041099
"404409"	781.073018	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+Na"	22.989218
"767229"	1160.114918	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+Na"	22.989218
"1611319"	402.031118	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Na"	22.989218
"326823"	391.040147	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+H+Na"	23.996494
"715964"	580.561097	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+H+Na"	23.996494
"1469784"	201.519197	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H+Na"	23.996494
"1061938"	134.68189	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2H+Na"	25.00377
"1270178"	412.075386	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+CH3OH+H"	33.033486
"390942"	797.046958	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+K"	38.963158
"752909"	1176.088858	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+K"	38.963158
"1554598"	418.005058	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+K"	38.963158
"306797"	399.027117	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+H+K"	39.970434
"706881"	588.548067	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+H+K"	39.970434
"1459601"	209.506167	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H+K"	39.970434
"247113"	800.117626	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+ACN+H"	42.033826
"1217635"	421.075726	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+ACN+H"	42.033826
"1203704"	211.041501	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+ACN+2H"	43.041102
"197668"	803.05496	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+2Na-H"	44.97116
"631762"	1182.09686	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+2Na-H"	44.97116
"1136360"	424.01306	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2Na-H"	44.97116
"174546"	402.031118	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+2Na"	45.978436
"613295"	591.552068	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+2Na"	45.978436
"1117246"	212.510168	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2Na"	45.978436
"1400772"	142.009204	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H+2Na"	46.985712
"1430701"	426.054646	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H+HCOOH"	47.012746
"221854"	407.06414	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+3H2O+2H"	56.04448
"1517208"	440.10669	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+IsoProp+H"	61.06479
"415801"	410.018088	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+Na+K"	61.952376
"782267"	599.539038	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+Na+K"	61.952376
"1679693"	220.497138	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Na+K"	61.952376
"262934"	822.099568	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+ACN+Na"	64.015768
"1236737"	443.057668	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+ACN+Na"	64.015768
"1727446"	443.081193	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+NH4+HCOOH"	64.039293
"1192801"	149.336518	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+3Na"	68.967654
"1656495"	448.036588	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Na+HCOOH"	68.994688
"162263"	835.00284	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+2K-H"	76.91904
"608384"	1214.04474	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+2K-H"	76.91904
"1095084"	455.96094	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2K-H"	76.91904
"156397"	418.005058	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"2M+2K"	77.926316
"594740"	607.526008	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"3M+2K"	77.926316
"1079251"	228.484108	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2K"	77.926316
"1108088"	457.975492	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2K+H"	78.933592
"1346660"	458.063107	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+DMSO+H"	79.021207
"1016282"	462.102276	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2ACN+H"	83.060376
"1535501"	463.095908	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+IsoProp+Na+H"	84.054008
"996481"	231.554776	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+2ACN+2H"	84.067652
"1590987"	464.010528	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+K+HCOOH"	84.968628
"1419930"	494.042038	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+H+CF3COOH"	115.000138
"1153498"	252.068051	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+3ACN+2H"	125.094202
"1698308"	511.068585	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+NH4+CF3COOH"	132.026685
"1636515"	516.02398	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+Na+CF3COOH"	136.98208
"1586383"	531.99792	"C12252"	"2-Bromo-5-hydroxy-N-2-(4-hydroxyphenyl)ethyl-4-methoxy-N-methylbenzamide"	"C17H18BrNO4"	"379.0419"	"M+K+CF3COOH"	152.95602
"816388"	259.1208	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M"	0
"985913"	240.10241	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-H2O-H"	-19.01839
"73064"	171.739924	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M-3H"	-3.021828
"510437"	258.113524	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M-3H"	-3.021828
"891515"	85.366324	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-3H"	-3.021828
"7905"	258.113524	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M-2H"	-2.014552
"454639"	387.673924	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M-2H"	-2.014552
"827453"	128.553124	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-2H"	-2.014552
"92552"	517.234324	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M-H"	-1.007276
"532476"	776.355124	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M-H"	-1.007276
"908086"	258.113524	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-H"	-1.007276
"59910"	534.260871	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M-2H+NH4"	16.019271
"501664"	793.381671	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M-2H+NH4"	16.019271
"873266"	275.140071	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-2H+NH4"	16.019271
"38978"	539.216266	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M-2H+Na"	20.974666
"479632"	798.337066	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M-2H+Na"	20.974666
"857433"	280.095466	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-2H+Na"	20.974666
"1624781"	280.095466	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Na-2H"	20.974666
"98029"	276.101863	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M-H+Cl"	33.962126
"535766"	405.662263	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M-H+Cl"	33.962126
"931102"	146.541463	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-H+Cl"	33.962126
"267635"	553.211002	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+Cl"	34.969402
"664277"	812.331802	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+Cl"	34.969402
"1273558"	294.090202	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Cl"	34.969402
"18145"	555.190206	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M-2H+K"	36.948606
"462081"	814.311006	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M-2H+K"	36.948606
"833685"	296.069406	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-2H+K"	36.948606
"1560089"	296.069406	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+K-2H"	36.948606
"944690"	304.118994	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-H+HCOOH"	44.998194
"365099"	563.239801	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+HCOOH-H"	44.998201
"354450"	577.255451	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+Hac-H"	59.013851
"1498908"	318.134651	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Hac-H"	59.013851
"965357"	326.100951	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-H+NaCOOH"	66.980151
"111345"	294.090202	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+2Cl"	69.938804
"551267"	423.650602	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+2Cl"	69.938804
"1023716"	164.529802	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2Cl"	69.938804
"1244024"	338.039685	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Br"	78.918885
"1312304"	340.095672	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Cl+HCOOH"	80.974872
"1326522"	362.077629	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Cl+NaCOOH"	102.956829
"912475"	372.106386	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M-H+CF3COOH"	112.985586
"1289303"	408.083064	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Cl+CF3COOH"	148.962264
"1368078"	224.108124	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H-2H2O"	-35.012676
"1387034"	242.1181	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H-H2O"	-17.0027
"290733"	519.248876	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+H"	1.007276
"690083"	778.369676	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+H"	1.007276
"1366434"	260.128076	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H"	1.007276
"137860"	260.128076	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+2H"	2.014552
"581305"	389.688476	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+2H"	2.014552
"1052307"	130.567676	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2H"	2.014552
"219596"	173.754476	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+3H"	3.021828
"658791"	260.128076	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+3H"	3.021828
"1175819"	87.380876	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+3H"	3.021828
"438366"	536.275423	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+NH4"	18.033823
"797901"	795.396223	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+NH4"	18.033823
"1693504"	277.154623	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+NH4"	18.033823
"341780"	268.6413495	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+H+NH4"	19.041099
"734200"	398.2017495	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+H+NH4"	19.041099
"1483645"	139.0809495	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H+NH4"	19.041099
"403426"	541.230818	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+Na"	22.989218
"768921"	800.351618	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+Na"	22.989218
"1613250"	282.110018	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Na"	22.989218
"326933"	271.119047	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+H+Na"	23.996494
"717167"	400.679447	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+H+Na"	23.996494
"1470987"	141.558647	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H+Na"	23.996494
"1063141"	94.70819	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2H+Na"	25.00377
"1270288"	292.154286	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+CH3OH+H"	33.033486
"391052"	557.204758	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+K"	38.963158
"751683"	816.325558	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+K"	38.963158
"1553006"	298.083958	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+K"	38.963158
"305813"	279.106017	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+H+K"	39.970434
"699327"	408.666417	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+H+K"	39.970434
"1458618"	149.545617	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H+K"	39.970434
"247222"	560.275426	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+ACN+H"	42.033826
"1216651"	301.154626	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+ACN+H"	42.033826
"1203814"	151.080951	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+ACN+2H"	43.041102
"197778"	563.21276	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+2Na-H"	44.97116
"632965"	822.33356	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+2Na-H"	44.97116
"1136470"	304.09196	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2Na-H"	44.97116
"172981"	282.110018	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+2Na"	45.978436
"613123"	411.670418	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+2Na"	45.978436
"1117357"	152.549618	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2Na"	45.978436
"1400882"	102.035504	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H+2Na"	46.985712
"1434089"	306.133546	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H+HCOOH"	47.012746
"224878"	287.14304	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+3H2O+2H"	56.04448
"1514038"	320.18559	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+IsoProp+H"	61.06479
"415911"	290.096988	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+Na+K"	61.952376
"784564"	419.657388	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+Na+K"	61.952376
"1678346"	160.536588	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Na+K"	61.952376
"262680"	582.257368	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+ACN+Na"	64.015768
"1233567"	323.136568	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+ACN+Na"	64.015768
"1726829"	323.160093	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+NH4+HCOOH"	64.039293
"1192547"	109.362818	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+3Na"	68.967654
"1663164"	328.115488	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Na+HCOOH"	68.994688
"161280"	595.16064	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+2K-H"	76.91904
"608494"	854.28144	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+2K-H"	76.91904
"1098110"	336.03984	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2K-H"	76.91904
"154075"	298.083958	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"2M+2K"	77.926316
"596068"	427.644358	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"3M+2K"	77.926316
"1079361"	168.523558	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2K"	77.926316
"1108197"	338.054392	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2K+H"	78.933592
"1346769"	338.142007	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+DMSO+H"	79.021207
"1016392"	342.181176	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2ACN+H"	83.060376
"1532331"	343.174808	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+IsoProp+Na+H"	84.054008
"994404"	171.594226	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+2ACN+2H"	84.067652
"1591097"	344.089428	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+K+HCOOH"	84.968628
"1423319"	374.120938	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+H+CF3COOH"	115.000138
"1153608"	192.107501	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+3ACN+2H"	125.094202
"1699877"	391.147485	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+NH4+CF3COOH"	132.026685
"1638812"	396.10288	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+Na+CF3COOH"	136.98208
"1583213"	412.07682	"C12253"	"Norsanguinine"	"C15H17NO3"	"259.1208"	"M+K+CF3COOH"	152.95602
"815894"	462.1791	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M"	0
"987118"	443.16071	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-H2O-H"	-19.01839
"72082"	307.112124	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M-3H"	-3.021828
"512735"	461.171824	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M-3H"	-3.021828
"892357"	153.052424	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-3H"	-3.021828
"12025"	461.171824	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M-2H"	-2.014552
"454990"	692.261374	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M-2H"	-2.014552
"831575"	230.082274	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-2H"	-2.014552
"93270"	923.350924	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M-H"	-1.007276
"533204"	1385.530024	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M-H"	-1.007276
"910264"	461.171824	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-H"	-1.007276
"60384"	940.377471	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M-2H+NH4"	16.019271
"501773"	1402.556571	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M-2H+NH4"	16.019271
"874469"	478.198371	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-2H+NH4"	16.019271
"45648"	945.332866	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M-2H+Na"	20.974666
"481928"	1407.511966	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M-2H+Na"	20.974666
"860824"	483.153766	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-2H+Na"	20.974666
"1624893"	483.153766	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Na-2H"	20.974666
"104701"	479.160163	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M-H+Cl"	33.962126
"539887"	710.249713	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M-H+Cl"	33.962126
"932308"	248.070613	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-H+Cl"	33.962126
"268314"	959.327602	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+Cl"	34.969402
"669856"	1421.506702	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+Cl"	34.969402
"1274603"	497.148502	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Cl"	34.969402
"21535"	961.306806	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M-2H+K"	36.948606
"458911"	1423.485906	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M-2H+K"	36.948606
"833510"	499.127706	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-2H+K"	36.948606
"1561292"	499.127706	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+K-2H"	36.948606
"950268"	507.177294	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-H+HCOOH"	44.998194
"367397"	969.356401	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+HCOOH-H"	44.998201
"351645"	983.372051	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+Hac-H"	59.013851
"1501207"	521.192951	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Hac-H"	59.013851
"966561"	529.159251	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-H+NaCOOH"	66.980151
"114738"	497.148502	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+2Cl"	69.938804
"552474"	728.238052	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+2Cl"	69.938804
"1025285"	266.058952	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2Cl"	69.938804
"1252154"	541.097985	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Br"	78.918885
"1312416"	543.153972	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Cl+HCOOH"	80.974872
"1327725"	565.135929	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Cl+NaCOOH"	102.956829
"915140"	575.164686	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M-H+CF3COOH"	112.985586
"1290390"	611.141364	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Cl+CF3COOH"	148.962264
"1367945"	427.166424	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H-2H2O"	-35.012676
"1390061"	445.1764	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H-H2O"	-17.0027
"290843"	925.365476	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+H"	1.007276
"687641"	1387.544576	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+H"	1.007276
"1359980"	463.186376	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H"	1.007276
"133596"	463.186376	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+2H"	2.014552
"579358"	694.275926	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+2H"	2.014552
"1049980"	232.096826	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2H"	2.014552
"218610"	309.126676	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+3H"	3.021828
"657444"	463.186376	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+3H"	3.021828
"1176660"	155.066976	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+3H"	3.021828
"435193"	942.392023	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+NH4"	18.033823
"796188"	1404.571123	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+NH4"	18.033823
"1693613"	480.212923	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+NH4"	18.033823
"340797"	471.6996495	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+H+NH4"	19.041099
"734308"	702.7891995	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+H+NH4"	19.041099
"1485941"	240.6100995	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H+NH4"	19.041099
"404625"	947.347418	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+Na"	22.989218
"765621"	1409.526518	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+Na"	22.989218
"1613717"	485.168318	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Na"	22.989218
"328257"	474.177347	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+H+Na"	23.996494
"718370"	705.266897	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+H+Na"	23.996494
"1468907"	243.087797	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H+Na"	23.996494
"1063247"	162.39429	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2H+Na"	25.00377
"1272262"	495.212586	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+CH3OH+H"	33.033486
"392215"	963.321358	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+K"	38.963158
"753866"	1425.500458	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+K"	38.963158
"1555191"	501.142258	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+K"	38.963158
"305923"	482.164317	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+H+K"	39.970434
"698344"	713.253867	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+H+K"	39.970434
"1456542"	251.074767	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H+K"	39.970434
"242959"	966.392026	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+ACN+H"	42.033826
"1213479"	504.212926	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+ACN+H"	42.033826
"1200644"	252.610101	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+ACN+2H"	43.041102
"193514"	969.32936	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+2Na-H"	44.97116
"633075"	1431.50846	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+2Na-H"	44.97116
"1134392"	507.15026	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2Na-H"	44.97116
"176587"	485.168318	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+2Na"	45.978436
"615052"	716.257868	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+2Na"	45.978436
"1119652"	254.078768	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2Na"	45.978436
"1402444"	169.721604	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H+2Na"	46.985712
"1434198"	509.191846	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H+HCOOH"	47.012746
"224987"	490.20134	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+3H2O+2H"	56.04448
"1514142"	523.24389	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+IsoProp+H"	61.06479
"410553"	493.155288	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+Na+K"	61.952376
"779204"	724.244838	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+Na+K"	61.952376
"1678819"	262.065738	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Na+K"	61.952376
"261697"	988.373968	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+ACN+Na"	64.015768
"1233676"	526.194868	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+ACN+Na"	64.015768
"1726208"	526.218393	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+NH4+HCOOH"	64.039293
"1190833"	177.048918	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+3Na"	68.967654
"1664249"	531.173788	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Na+HCOOH"	68.994688
"167951"	1001.27724	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+2K-H"	76.91904
"605325"	1463.45634	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+2K-H"	76.91904
"1097494"	539.09814	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2K-H"	76.91904
"156134"	501.142258	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"2M+2K"	77.926316
"594960"	732.231808	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"3M+2K"	77.926316
"1078378"	270.052708	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2K"	77.926316
"1107214"	541.112692	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2K+H"	78.933592
"1345786"	541.200307	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+DMSO+H"	79.021207
"1016502"	545.239476	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2ACN+H"	83.060376
"1531347"	546.233108	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+IsoProp+Na+H"	84.054008
"996702"	273.123376	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+2ACN+2H"	84.067652
"1601048"	547.147728	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+K+HCOOH"	84.968628
"1429265"	577.179238	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+H+CF3COOH"	115.000138
"1154811"	293.636651	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+3ACN+2H"	125.094202
"1712670"	594.205785	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+NH4+CF3COOH"	132.026685
"1636735"	599.16118	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+Na+CF3COOH"	136.98208
"1586603"	615.13512	"C12254"	"()-Plicamine"	"C26H26N2O6"	"462.1791"	"M+K+CF3COOH"	152.95602
"816608"	309.0849	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M"	0
"987955"	290.06651	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-H2O-H"	-19.01839
"74013"	205.049324	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M-3H"	-3.021828
"513938"	308.077624	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M-3H"	-3.021828
"893924"	102.021024	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-3H"	-3.021828
"10312"	308.077624	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M-2H"	-2.014552
"455667"	462.620074	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M-2H"	-2.014552
"829861"	153.535174	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-2H"	-2.014552
"92042"	617.162524	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M-H"	-1.007276
"533303"	926.247424	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M-H"	-1.007276
"911309"	308.077624	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-H"	-1.007276
"60494"	634.189071	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M-2H+NH4"	16.019271
"501150"	943.273971	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M-2H+NH4"	16.019271
"874579"	325.104171	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-2H+NH4"	16.019271
"42478"	639.144466	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M-2H+Na"	20.974666
"482038"	948.229366	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M-2H+Na"	20.974666
"858747"	330.059566	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-2H+Na"	20.974666
"1622450"	330.059566	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Na-2H"	20.974666
"103718"	326.065963	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M-H+Cl"	33.962126
"538901"	480.608413	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M-H+Cl"	33.962126
"929502"	171.523513	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-H+Cl"	33.962126
"267938"	653.139202	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+Cl"	34.969402
"664497"	962.224102	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+Cl"	34.969402
"1274346"	344.054302	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Cl"	34.969402
"21645"	655.118406	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M-2H+K"	36.948606
"459021"	964.203306	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M-2H+K"	36.948606
"833781"	346.033506	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-2H+K"	36.948606
"1560308"	346.033506	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+K-2H"	36.948606
"950378"	354.083094	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-H+HCOOH"	44.998194
"370787"	663.168001	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+HCOOH-H"	44.998201
"355764"	677.183651	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+Hac-H"	59.013851
"1503503"	368.098751	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Hac-H"	59.013851
"966671"	376.065051	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-H+NaCOOH"	66.980151
"115212"	344.054302	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+2Cl"	69.938804
"551977"	498.596752	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+2Cl"	69.938804
"1028311"	189.511852	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2Cl"	69.938804
"1250077"	388.003785	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Br"	78.918885
"1314711"	390.059772	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Cl+HCOOH"	80.974872
"1326742"	412.041729	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Cl+NaCOOH"	102.956829
"917801"	422.070486	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M-H+CF3COOH"	112.985586
"1294509"	458.047164	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Cl+CF3COOH"	148.962264
"1374858"	274.072224	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H-2H2O"	-35.012676
"1390171"	292.0822	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H-H2O"	-17.0027
"292776"	619.177076	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+H"	1.007276
"686292"	928.261976	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+H"	1.007276
"1358630"	310.092176	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H"	1.007276
"131518"	310.092176	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+2H"	2.014552
"578372"	464.634626	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+2H"	2.014552
"1050087"	155.549726	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2H"	2.014552
"217262"	207.063876	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+3H"	3.021828
"657553"	310.092176	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+3H"	3.021828
"1176404"	104.035576	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+3H"	3.021828
"437489"	636.203623	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+NH4"	18.033823
"797393"	945.288523	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+NH4"	18.033823
"1694818"	327.118723	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+NH4"	18.033823
"341272"	318.6054495	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+H+NH4"	19.041099
"732232"	473.1478995	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+H+NH4"	19.041099
"1483865"	164.0629995	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H+NH4"	19.041099
"405100"	641.159018	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+Na"	22.989218
"766825"	950.243918	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+Na"	22.989218
"1613827"	332.074118	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Na"	22.989218
"328610"	321.083147	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+H+Na"	23.996494
"714107"	475.625597	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+H+Na"	23.996494
"1467925"	166.540697	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H+Na"	23.996494
"1060077"	111.36289	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2H+Na"	25.00377
"1266128"	342.118386	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+CH3OH+H"	33.033486
"384702"	657.132958	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+K"	38.963158
"745696"	966.217858	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+K"	38.963158
"1546658"	348.048058	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+K"	38.963158
"314095"	329.070117	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+H+K"	39.970434
"696267"	483.612567	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+H+K"	39.970434
"1454465"	174.527667	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H+K"	39.970434
"240881"	660.203626	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+ACN+H"	42.033826
"1211037"	351.118726	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+ACN+H"	42.033826
"1201848"	176.063001	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+ACN+2H"	43.041102
"194718"	663.14096	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+2Na-H"	44.97116
"636466"	972.22586	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+2Na-H"	44.97116
"1134502"	354.05606	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2Na-H"	44.97116
"174876"	332.074118	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+2Na"	45.978436
"615527"	486.616568	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+2Na"	45.978436
"1118668"	177.531668	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2Na"	45.978436
"1402191"	118.690204	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H+2Na"	46.985712
"1433213"	356.097646	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H+HCOOH"	47.012746
"222183"	337.10714	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+3H2O+2H"	56.04448
"1510976"	370.14969	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+IsoProp+H"	61.06479
"410054"	340.061088	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+Na+K"	61.952376
"780773"	494.603538	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+Na+K"	61.952376
"1678929"	185.518638	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Na+K"	61.952376
"264723"	682.185568	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+ACN+Na"	64.015768
"1236703"	373.100668	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+ACN+Na"	64.015768
"1725590"	373.124193	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+NH4+HCOOH"	64.039293
"1190943"	126.017518	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+3Na"	68.967654
"1664602"	378.079588	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Na+HCOOH"	68.994688
"171341"	695.08884	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+2K-H"	76.91904
"605435"	1004.17374	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+2K-H"	76.91904
"1097604"	386.00394	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2K-H"	76.91904
"156486"	348.048058	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"2M+2K"	77.926316
"594949"	502.590508	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"3M+2K"	77.926316
"1078488"	193.505608	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2K"	77.926316
"1107324"	388.018492	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2K+H"	78.933592
"1345896"	388.106107	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+DMSO+H"	79.021207
"1016612"	392.145276	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2ACN+H"	83.060376
"1531457"	393.138908	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+IsoProp+Na+H"	84.054008
"996812"	196.576276	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+2ACN+2H"	84.067652
"1600065"	394.053528	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+K+HCOOH"	84.968628
"1429618"	424.085038	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+H+CF3COOH"	115.000138
"1154921"	217.089551	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+3ACN+2H"	125.094202
"1712374"	441.111585	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+NH4+CF3COOH"	132.026685
"1637938"	446.06698	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+Na+CF3COOH"	136.98208
"1583433"	462.04092	"C12255"	"7-Deoxypancratistatin"	"C14H15NO7"	"309.0849"	"M+K+CF3COOH"	152.95602
"816476"	293.0899	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M"	0
"986975"	274.07151	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-H2O-H"	-19.01839
"74488"	194.385990666667	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M-3H"	-3.021828
"515142"	292.082624	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M-3H"	-3.021828
"892578"	96.6893573333333	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-3H"	-3.021828
"12610"	292.082624	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M-2H"	-2.014552
"452901"	438.627574	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M-2H"	-2.014552
"832648"	145.537674	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-2H"	-2.014552
"89965"	585.172524	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M-H"	-1.007276
"531346"	878.262424	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M-H"	-1.007276
"911093"	292.082624	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-H"	-1.007276
"61092"	602.199071	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M-2H+NH4"	16.019271
"496889"	895.288971	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M-2H+NH4"	16.019271
"875783"	309.109171	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-2H+NH4"	16.019271
"44412"	607.154466	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M-2H+Na"	20.974666
"482878"	900.244366	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M-2H+Na"	20.974666
"855578"	314.064566	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-2H+Na"	20.974666
"1624019"	314.064566	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Na-2H"	20.974666
"97631"	310.070963	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M-H+Cl"	33.962126
"537922"	456.615913	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M-H+Cl"	33.962126
"928641"	163.526013	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-H+Cl"	33.962126
"267520"	621.149202	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+Cl"	34.969402
"661448"	914.239102	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+Cl"	34.969402
"1278104"	328.059302	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Cl"	34.969402
"21753"	623.128406	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M-2H+K"	36.948606
"458034"	916.218306	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M-2H+K"	36.948606
"836930"	330.038506	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-2H+K"	36.948606
"1561511"	330.038506	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+K-2H"	36.948606
"950488"	338.088094	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-H+HCOOH"	44.998194
"367617"	631.178001	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+HCOOH-H"	44.998201
"350406"	645.193651	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+Hac-H"	59.013851
"1503613"	352.103751	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Hac-H"	59.013851
"967875"	360.070051	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-H+NaCOOH"	66.980151
"116052"	328.059302	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+2Cl"	69.938804
"556341"	474.604252	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+2Cl"	69.938804
"1031702"	181.514352	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2Cl"	69.938804
"1250188"	372.008785	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Br"	78.918885
"1315916"	374.064772	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Cl+HCOOH"	80.974872
"1327945"	396.046729	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Cl+NaCOOH"	102.956829
"917910"	406.075486	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M-H+CF3COOH"	112.985586
"1291704"	442.052164	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Cl+CF3COOH"	148.962264
"1369137"	258.077224	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H-2H2O"	-35.012676
"1390281"	276.0872	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H-H2O"	-17.0027
"294346"	587.187076	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+H"	1.007276
"684214"	880.276976	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+H"	1.007276
"1358740"	294.097176	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H"	1.007276
"136368"	294.097176	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+2H"	2.014552
"577753"	440.642126	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+2H"	2.014552
"1050563"	147.552226	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2H"	2.014552
"218103"	196.400542666667	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+3H"	3.021828
"658027"	294.097176	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+3H"	3.021828
"1174327"	98.7039093333333	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+3H"	3.021828
"438328"	604.213623	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+NH4"	18.033823
"798232"	897.303523	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+NH4"	18.033823
"1693831"	311.123723	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+NH4"	18.033823
"342111"	302.6104495	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+H+NH4"	19.041099
"735259"	449.1553995	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+H+NH4"	19.041099
"1483975"	156.0654995	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H+NH4"	19.041099
"402658"	609.169018	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+Na"	22.989218
"764749"	902.258918	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+Na"	22.989218
"1615033"	316.079118	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Na"	22.989218
"323981"	305.088147	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+H+Na"	23.996494
"721506"	451.633097	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+H+Na"	23.996494
"1466944"	158.543197	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H+Na"	23.996494
"1058002"	106.031223333333	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2H+Na"	25.00377
"1260774"	326.123386	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+CH3OH+H"	33.033486
"381533"	625.142958	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+K"	38.963158
"746906"	918.232858	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+K"	38.963158
"1545678"	332.053058	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+K"	38.963158
"311971"	313.075117	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+H+K"	39.970434
"697471"	459.620067	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+H+K"	39.970434
"1455668"	166.530167	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H+K"	39.970434
"239899"	628.213626	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+ACN+H"	42.033826
"1214794"	335.123726	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+ACN+H"	42.033826
"1201959"	168.065501	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+ACN+2H"	43.041102
"194828"	631.15096	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+2Na-H"	44.97116
"636576"	924.24086	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+2Na-H"	44.97116
"1133519"	338.06106	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2Na-H"	44.97116
"177903"	316.079118	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+2Na"	45.978436
"617460"	462.624068	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+2Na"	45.978436
"1118780"	169.534168	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2Na"	45.978436
"1402301"	113.358537333333	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H+2Na"	46.985712
"1432231"	340.102646	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H+HCOOH"	47.012746
"223024"	321.11214	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+3H2O+2H"	56.04448
"1509992"	354.15469	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+IsoProp+H"	61.06479
"412961"	324.066088	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+Na+K"	61.952376
"783437"	470.611038	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+Na+K"	61.952376
"1680135"	177.521138	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Na+K"	61.952376
"265198"	650.195568	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+ACN+Na"	64.015768
"1239365"	357.105668	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+ACN+Na"	64.015768
"1727037"	357.129193	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+NH4+HCOOH"	64.039293
"1192147"	120.685851333333	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+3Na"	68.967654
"1664592"	362.084588	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Na+HCOOH"	68.994688
"167079"	663.09884	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+2K-H"	76.91904
"609921"	956.18874	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+2K-H"	76.91904
"1096617"	370.00894	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2K-H"	76.91904
"154527"	332.053058	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"2M+2K"	77.926316
"591900"	478.598008	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"3M+2K"	77.926316
"1081880"	185.508108	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2K"	77.926316
"1115337"	372.023492	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2K+H"	78.933592
"1350870"	372.111107	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+DMSO+H"	79.021207
"1018911"	376.150276	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2ACN+H"	83.060376
"1535942"	377.143908	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+IsoProp+Na+H"	84.054008
"1000204"	188.578776	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+2ACN+2H"	84.067652
"1602491"	378.058528	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+K+HCOOH"	84.968628
"1426931"	408.090038	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+H+CF3COOH"	115.000138
"1162324"	209.092051	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+3ACN+2H"	125.094202
"1711144"	425.116585	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+NH4+CF3COOH"	132.026685
"1648622"	430.07198	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+Na+CF3COOH"	136.98208
"1583543"	446.04592	"C12256"	"()-27-Dideoxypancratistatin"	"C14H15NO6"	"293.0899"	"M+K+CF3COOH"	152.95602
"816223"	369.1576	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M"	0
"987085"	350.13921	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-H2O-H"	-19.01839
"74599"	245.097790666667	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M-3H"	-3.021828
"517804"	368.150324	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M-3H"	-3.021828
"893057"	122.045257333333	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-3H"	-3.021828
"14181"	368.150324	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M-2H"	-2.014552
"454108"	552.729124	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M-2H"	-2.014552
"831905"	183.571524	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-2H"	-2.014552
"92263"	737.307924	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M-H"	-1.007276
"533036"	1106.465524	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M-H"	-1.007276
"910229"	368.150324	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-H"	-1.007276
"61567"	754.334471	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M-2H+NH4"	16.019271
"497000"	1123.492071	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M-2H+NH4"	16.019271
"875893"	385.176871	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-2H+NH4"	16.019271
"41606"	759.289866	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M-2H+Na"	20.974666
"484688"	1128.447466	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M-2H+Na"	20.974666
"855688"	390.132266	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-2H+Na"	20.974666
"1621942"	390.132266	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Na-2H"	20.974666
"99561"	386.138663	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M-H+Cl"	33.962126
"535842"	570.717463	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M-H+Cl"	33.962126
"928141"	201.559863	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-H+Cl"	33.962126
"267275"	773.284602	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+Cl"	34.969402
"660177"	1142.442202	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+Cl"	34.969402
"1278214"	404.127002	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Cl"	34.969402
"22956"	775.263806	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M-2H+K"	36.948606
"457053"	1144.421406	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M-2H+K"	36.948606
"837041"	406.106206	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-2H+K"	36.948606
"1561621"	406.106206	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+K-2H"	36.948606
"948411"	414.155794	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-H+HCOOH"	44.998194
"367727"	783.313401	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+HCOOH-H"	44.998201
"350516"	797.329051	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+Hac-H"	59.013851
"1503723"	428.171451	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Hac-H"	59.013851
"970171"	436.137751	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-H+NaCOOH"	66.980151
"121266"	404.127002	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+2Cl"	69.938804
"563012"	588.705802	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+2Cl"	69.938804
"1035823"	219.548202	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2Cl"	69.938804
"1254672"	448.076485	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Br"	78.918885
"1314933"	450.132472	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Cl+HCOOH"	80.974872
"1330243"	472.114429	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Cl+NaCOOH"	102.956829
"918022"	482.143186	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M-H+CF3COOH"	112.985586
"1293637"	518.119864	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Cl+CF3COOH"	148.962264
"1376172"	334.144924	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H-2H2O"	-35.012676
"1390391"	352.1549	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H-H2O"	-17.0027
"292996"	739.322476	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+H"	1.007276
"681408"	1108.480076	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+H"	1.007276
"1358487"	370.164876	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H"	1.007276
"135387"	370.164876	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+2H"	2.014552
"578228"	554.743676	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+2H"	2.014552
"1049949"	185.586076	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2H"	2.014552
"216754"	247.112342666667	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+3H"	3.021828
"656681"	370.164876	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+3H"	3.021828
"1174073"	124.059809333333	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+3H"	3.021828
"437709"	756.349023	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+NH4"	18.033823
"799073"	1125.506623	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+NH4"	18.033823
"1692852"	387.191423	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+NH4"	18.033823
"342221"	378.6781495	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+H+NH4"	19.041099
"734641"	563.2569495	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+H+NH4"	19.041099
"1487366"	194.0993495	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H+NH4"	19.041099
"402768"	761.304418	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+Na"	22.989218
"767410"	1130.462018	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+Na"	22.989218
"1615508"	392.146818	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Na"	22.989218
"324091"	381.155847	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+H+Na"	23.996494
"720524"	565.734647	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+H+Na"	23.996494
"1466325"	196.577047	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H+Na"	23.996494
"1058476"	131.387123333333	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2H+Na"	25.00377
"1259791"	402.191086	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+CH3OH+H"	33.033486
"380550"	777.278358	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+K"	38.963158
"746652"	1146.435958	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+K"	38.963158
"1545788"	408.120758	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+K"	38.963158
"312449"	389.142817	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+H+K"	39.970434
"697578"	573.721617	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+H+K"	39.970434
"1457964"	204.564017	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H+K"	39.970434
"242196"	780.349026	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+ACN+H"	42.033826
"1214904"	411.191426	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+ACN+H"	42.033826
"1203162"	206.099351	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+ACN+2H"	43.041102
"197126"	783.28636	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+2Na-H"	44.97116
"637780"	1152.44396	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+2Na-H"	44.97116
"1135817"	414.12876	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2Na-H"	44.97116
"176920"	392.146818	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+2Na"	45.978436
"614291"	576.725618	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+2Na"	45.978436
"1118891"	207.568018	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2Na"	45.978436
"1401320"	138.714437333333	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H+2Na"	46.985712
"1431372"	416.170346	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H+HCOOH"	47.012746
"223135"	397.17984	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+3H2O+2H"	56.04448
"1511197"	430.22239	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+IsoProp+H"	61.06479
"414164"	400.133788	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+Na+K"	61.952376
"782090"	584.712588	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+Na+K"	61.952376
"1680003"	215.554988	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Na+K"	61.952376
"263122"	802.330968	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+ACN+Na"	64.015768
"1239841"	433.173368	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+ACN+Na"	64.015768
"1726540"	433.196893	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+NH4+HCOOH"	64.039293
"1192257"	146.041751333333	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+3Na"	68.967654
"1665464"	438.152288	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Na+HCOOH"	68.994688
"170469"	815.23424	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+2K-H"	76.91904
"612586"	1184.39184	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+2K-H"	76.91904
"1095634"	446.07664	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2K-H"	76.91904
"154637"	408.120758	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"2M+2K"	77.926316
"592010"	592.699558	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"3M+2K"	77.926316
"1081990"	223.541958	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2K"	77.926316
"1115367"	448.091192	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2K+H"	78.933592
"1347211"	448.178807	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+DMSO+H"	79.021207
"1020114"	452.217976	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2ACN+H"	83.060376
"1537145"	453.211608	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+IsoProp+Na+H"	84.054008
"997034"	226.612626	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+2ACN+2H"	84.067652
"1602473"	454.126228	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+K+HCOOH"	84.968628
"1427772"	484.157738	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+H+CF3COOH"	115.000138
"1162070"	247.125901	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+3ACN+2H"	125.094202
"1710895"	501.184285	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+NH4+CF3COOH"	132.026685
"1649460"	506.13968	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+Na+CF3COOH"	136.98208
"1586933"	522.11362	"C12257"	"Homochelidonine;(-)-Homochelidonine"	"C21H23NO5"	"369.1576"	"M+K+CF3COOH"	152.95602
"816209"	366.074	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M"	0
"989014"	347.05561	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-H2O-H"	-19.01839
"74344"	243.042057333333	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M-3H"	-3.021828
"514269"	365.066724	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M-3H"	-3.021828
"890979"	121.017390666667	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-3H"	-3.021828
"11738"	365.066724	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M-2H"	-2.014552
"451297"	548.103724	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M-2H"	-2.014552
"830192"	182.029724	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-2H"	-2.014552
"89093"	731.140724	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M-H"	-1.007276
"530836"	1097.214724	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M-H"	-1.007276
"909124"	365.066724	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-H"	-1.007276
"59731"	748.167271	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M-2H+NH4"	16.019271
"500386"	1114.241271	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M-2H+NH4"	16.019271
"872721"	382.093271	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-2H+NH4"	16.019271
"35155"	753.122666	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M-2H+Na"	20.974666
"476900"	1119.196666	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M-2H+Na"	20.974666
"850693"	387.048666	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-2H+Na"	20.974666
"1621319"	387.048666	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Na-2H"	20.974666
"95297"	383.055063	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M-H+Cl"	33.962126
"534732"	566.092063	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M-H+Cl"	33.962126
"927395"	200.018063	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-H+Cl"	33.962126
"267652"	767.117402	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+Cl"	34.969402
"660936"	1133.191402	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+Cl"	34.969402
"1278324"	401.043402	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Cl"	34.969402
"19786"	769.096606	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M-2H+K"	36.948606
"457163"	1135.170606	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M-2H+K"	36.948606
"834235"	403.022606	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-2H+K"	36.948606
"1558451"	403.022606	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+K-2H"	36.948606
"948521"	411.072194	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-H+HCOOH"	44.998194
"362366"	777.146201	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+HCOOH-H"	44.998201
"347706"	791.161851	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+Hac-H"	59.013851
"1500553"	425.087851	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Hac-H"	59.013851
"963721"	433.054151	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-H+NaCOOH"	66.980151
"122469"	401.043402	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+2Cl"	69.938804
"559842"	584.080402	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+2Cl"	69.938804
"1033746"	218.006402	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2Cl"	69.938804
"1253689"	444.992885	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Br"	78.918885
"1317232"	447.048872	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Cl+HCOOH"	80.974872
"1329260"	469.030829	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Cl+NaCOOH"	102.956829
"914852"	479.059586	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M-H+CF3COOH"	112.985586
"1295933"	515.036264	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Cl+CF3COOH"	148.962264
"1375188"	331.061324	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H-2H2O"	-35.012676
"1390501"	349.0713	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H-H2O"	-17.0027
"291281"	733.155276	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+H"	1.007276
"682611"	1099.229276	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+H"	1.007276
"1358961"	367.081276	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H"	1.007276
"136589"	367.081276	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+2H"	2.014552
"577609"	550.118276	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+2H"	2.014552
"1050301"	184.044276	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2H"	2.014552
"217230"	245.056609333333	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+3H"	3.021828
"657155"	367.081276	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+3H"	3.021828
"1174549"	123.031942666667	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+3H"	3.021828
"436726"	750.181823	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+NH4"	18.033823
"798455"	1116.255823	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+NH4"	18.033823
"1694785"	384.107823	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+NH4"	18.033823
"343060"	375.5945495	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+H+NH4"	19.041099
"733294"	558.6315495	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+H+NH4"	19.041099
"1488205"	192.5575495	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H+NH4"	19.041099
"402514"	755.137218	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+Na"	22.989218
"768128"	1121.211218	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+Na"	22.989218
"1616347"	389.063218	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Na"	22.989218
"324201"	378.072247	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+H+Na"	23.996494
"718447"	561.109247	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+H+Na"	23.996494
"1466435"	195.035247	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H+Na"	23.996494
"1057129"	130.359256666667	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2H+Na"	25.00377
"1260994"	399.107486	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+CH3OH+H"	33.033486
"380660"	771.111158	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+K"	38.963158
"747856"	1137.185158	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+K"	38.963158
"1545898"	405.037158	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+K"	38.963158
"310370"	386.059217	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+H+K"	39.970434
"699876"	569.096217	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+H+K"	39.970434
"1448233"	203.022217	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H+K"	39.970434
"241210"	774.181826	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+ACN+H"	42.033826
"1213920"	408.107826	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+ACN+H"	42.033826
"1197802"	204.557551	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+ACN+2H"	43.041102
"191767"	777.11916	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+2Na-H"	44.97116
"630475"	1143.19316	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+2Na-H"	44.97116
"1133010"	411.04516	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2Na-H"	44.97116
"173380"	389.063218	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+2Na"	45.978436
"613222"	572.100218	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+2Na"	45.978436
"1116934"	206.026218	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2Na"	45.978436
"1399365"	137.686570666667	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H+2Na"	46.985712
"1430140"	413.086746	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H+HCOOH"	47.012746
"220001"	394.09624	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+3H2O+2H"	56.04448
"1511307"	427.13879	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+IsoProp+H"	61.06479
"409901"	397.050188	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+Na+K"	61.952376
"783292"	580.087188	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+Na+K"	61.952376
"1678897"	214.013188	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Na+K"	61.952376
"262503"	796.163768	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+ACN+Na"	64.015768
"1236305"	430.089768	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+ACN+Na"	64.015768
"1727257"	430.113293	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+NH4+HCOOH"	64.039293
"1189451"	145.013884666667	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+3Na"	68.967654
"1664813"	435.068688	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Na+HCOOH"	68.994688
"168394"	809.06704	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+2K-H"	76.91904
"610140"	1175.14104	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+2K-H"	76.91904
"1097930"	442.99304	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2K-H"	76.91904
"151466"	405.037158	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"2M+2K"	77.926316
"592120"	588.074158	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"3M+2K"	77.926316
"1079913"	222.000158	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2K"	77.926316
"1114463"	445.007592	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2K+H"	78.933592
"1346228"	445.095207	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+DMSO+H"	79.021207
"1014757"	449.134376	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2ACN+H"	83.060376
"1530694"	450.128008	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+IsoProp+Na+H"	84.054008
"992770"	225.070826	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+2ACN+2H"	84.067652
"1600397"	451.042628	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+K+HCOOH"	84.968628
"1427153"	481.074138	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+H+CF3COOH"	115.000138
"1161088"	245.584101	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+3ACN+2H"	125.094202
"1710275"	498.100685	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+NH4+CF3COOH"	132.026685
"1649529"	503.05608	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+Na+CF3COOH"	136.98208
"1583763"	519.03002	"C12258"	"Arnottin II"	"C20H14O7"	"366.074"	"M+K+CF3COOH"	152.95602
"816879"	324.1838	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M"	0
"989530"	305.16541	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-H2O-H"	-19.01839
"77369"	215.115257333333	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M-3H"	-3.021828
"515472"	323.176524	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M-3H"	-3.021828
"893275"	107.053990666667	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-3H"	-3.021828
"12941"	323.176524	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M-2H"	-2.014552
"453593"	485.268424	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M-2H"	-2.014552
"831396"	161.084624	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-2H"	-2.014552
"91390"	647.360324	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M-H"	-1.007276
"533620"	971.544124	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M-H"	-1.007276
"909598"	323.176524	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-H"	-1.007276
"61543"	664.386871	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M-2H+NH4"	16.019271
"502319"	988.570671	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M-2H+NH4"	16.019271
"879027"	340.203071	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-2H+NH4"	16.019271
"35265"	669.342266	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M-2H+Na"	20.974666
"477010"	993.526066	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M-2H+Na"	20.974666
"852258"	345.158466	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-2H+Na"	20.974666
"1620699"	345.158466	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Na-2H"	20.974666
"95891"	341.164863	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M-H+Cl"	33.962126
"536422"	503.256763	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M-H+Cl"	33.962126
"928600"	179.072963	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-H+Cl"	33.962126
"269219"	683.337002	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+Cl"	34.969402
"663113"	1007.520802	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+Cl"	34.969402
"1274423"	359.153202	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Cl"	34.969402
"16610"	685.316206	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M-2H+K"	36.948606
"459460"	1009.500006	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M-2H+K"	36.948606
"835074"	361.132406	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-2H+K"	36.948606
"1559654"	361.132406	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+K-2H"	36.948606
"949724"	369.181994	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-H+HCOOH"	44.998194
"365025"	693.365801	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+HCOOH-H"	44.998201
"348908"	707.381451	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+Hac-H"	59.013851
"1495920"	383.197651	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Hac-H"	59.013851
"962371"	391.163951	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-H+NaCOOH"	66.980151
"113830"	359.153202	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+2Cl"	69.938804
"552661"	521.245102	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+2Cl"	69.938804
"1035313"	197.061302	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2Cl"	69.938804
"1252705"	403.102685	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Br"	78.918885
"1310050"	405.158672	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Cl+HCOOH"	80.974872
"1329370"	427.140629	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Cl+NaCOOH"	102.956829
"914962"	437.169386	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M-H+CF3COOH"	112.985586
"1296043"	473.146064	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Cl+CF3COOH"	148.962264
"1375297"	289.171124	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H-2H2O"	-35.012676
"1385141"	307.1811	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H-H2O"	-17.0027
"289204"	649.374876	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+H"	1.007276
"677616"	973.558676	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+H"	1.007276
"1355791"	325.191076	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H"	1.007276
"134146"	325.191076	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+2H"	2.014552
"577718"	487.282976	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+2H"	2.014552
"1050168"	163.099176	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2H"	2.014552
"215511"	217.129809333333	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+3H"	3.021828
"658354"	325.191076	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+3H"	3.021828
"1175751"	109.068542666667	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+3H"	3.021828
"436471"	666.401423	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+NH4"	18.033823
"799291"	990.585223	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+NH4"	18.033823
"1695259"	342.217623	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+NH4"	18.033823
"343534"	333.7043495	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+H+NH4"	19.041099
"734860"	495.7962495	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+H+NH4"	19.041099
"1486494"	171.6124495	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H+NH4"	19.041099
"402988"	671.356818	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+Na"	22.989218
"768359"	995.540618	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+Na"	22.989218
"1617429"	347.173018	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Na"	22.989218
"326498"	336.182047	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+H+Na"	23.996494
"717827"	498.273947	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+H+Na"	23.996494
"1468368"	174.090147	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H+Na"	23.996494
"1058332"	116.395856666667	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2H+Na"	25.00377
"1262197"	357.217286	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+CH3OH+H"	33.033486
"382957"	687.330758	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+K"	38.963158
"747236"	1011.514558	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+K"	38.963158
"1543821"	363.146958	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+K"	38.963158
"308657"	344.169017	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+H+K"	39.970434
"699986"	506.260917	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+H+K"	39.970434
"1447614"	182.077117	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H+K"	39.970434
"241322"	690.401426	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+ACN+H"	42.033826
"1214028"	366.217626	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+ACN+H"	42.033826
"1200099"	183.612451	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+ACN+2H"	43.041102
"194063"	693.33876	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+2Na-H"	44.97116
"632531"	1017.52256	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+2Na-H"	44.97116
"1133850"	369.15496	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2Na-H"	44.97116
"174102"	347.173018	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+2Na"	45.978436
"615605"	509.264918	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+2Na"	45.978436
"1116313"	185.081118	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2Na"	45.978436
"1399596"	123.723170666667	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H+2Na"	46.985712
"1430738"	371.196546	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H+HCOOH"	47.012746
"220150"	352.20604	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+3H2O+2H"	56.04448
"1508863"	385.24859	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+IsoProp+H"	61.06479
"410011"	355.159988	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+Na+K"	61.952376
"782673"	517.251888	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+Na+K"	61.952376
"1680467"	193.068088	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Na+K"	61.952376
"265772"	712.383368	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+ACN+Na"	64.015768
"1240671"	388.199568	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+ACN+Na"	64.015768
"1727492"	388.223093	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+NH4+HCOOH"	64.039293
"1191748"	131.050484666667	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+3Na"	68.967654
"1664564"	393.178488	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Na+HCOOH"	68.994688
"171662"	725.28664	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+2K-H"	76.91904
"610250"	1049.47044	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+2K-H"	76.91904
"1097676"	401.10284	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2K-H"	76.91904
"152670"	363.146958	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"2M+2K"	77.926316
"593323"	525.238858	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"3M+2K"	77.926316
"1080023"	201.055058	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2K"	77.926316
"1115061"	403.117392	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2K+H"	78.933592
"1347431"	403.205007	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+DMSO+H"	79.021207
"1017054"	407.244176	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2ACN+H"	83.060376
"1530804"	408.237808	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+IsoProp+Na+H"	84.054008
"992880"	204.125726	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+2ACN+2H"	84.067652
"1600507"	409.152428	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+K+HCOOH"	84.968628
"1426169"	439.183938	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+H+CF3COOH"	115.000138
"1161804"	224.639001	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+3ACN+2H"	125.094202
"1710386"	456.210485	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+NH4+CF3COOH"	132.026685
"1649437"	461.16588	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+Na+CF3COOH"	136.98208
"1583873"	477.13982	"C12259"	"()-Sceletium A4"	"C20H24N2O2"	"324.1838"	"M+K+CF3COOH"	152.95602
"816599"	326.1994	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M"	0
"988873"	307.18101	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-H2O-H"	-19.01839
"77928"	216.458990666667	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M-3H"	-3.021828
"516677"	325.192124	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M-3H"	-3.021828
"893383"	107.725857333333	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-3H"	-3.021828
"14876"	325.192124	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M-2H"	-2.014552
"452610"	488.291824	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M-2H"	-2.014552
"828226"	162.092424	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-2H"	-2.014552
"89312"	651.391524	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M-H"	-1.007276
"532637"	977.590924	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M-H"	-1.007276
"909710"	325.192124	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-H"	-1.007276
"59952"	668.418071	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M-2H+NH4"	16.019271
"501459"	994.617471	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M-2H+NH4"	16.019271
"879708"	342.218671	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-2H+NH4"	16.019271
"38655"	673.373466	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M-2H+Na"	20.974666
"484410"	999.572866	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M-2H+Na"	20.974666
"857109"	347.174066	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-2H+Na"	20.974666
"1619961"	347.174066	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Na-2H"	20.974666
"96001"	343.180463	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M-H+Cl"	33.962126
"536171"	506.280163	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M-H+Cl"	33.962126
"929319"	180.080763	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-H+Cl"	33.962126
"270060"	687.368202	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+Cl"	34.969402
"668329"	1013.567602	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+Cl"	34.969402
"1284013"	361.168802	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Cl"	34.969402
"25476"	689.347406	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M-2H+K"	36.948606
"458476"	1015.546806	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M-2H+K"	36.948606
"837372"	363.148006	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-2H+K"	36.948606
"1566327"	363.148006	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+K-2H"	36.948606
"949838"	371.197594	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-H+HCOOH"	44.998194
"368054"	697.397001	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+HCOOH-H"	44.998201
"347925"	711.412651	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+Hac-H"	59.013851
"1495306"	385.213251	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Hac-H"	59.013851
"963940"	393.179551	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-H+NaCOOH"	66.980151
"118316"	361.168802	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+2Cl"	69.938804
"556783"	524.268502	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+2Cl"	69.938804
"1034330"	198.069102	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2Cl"	69.938804
"1252817"	405.118285	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Br"	78.918885
"1310889"	407.174272	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Cl+HCOOH"	80.974872
"1331667"	429.156229	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Cl+NaCOOH"	102.956829
"915433"	439.184986	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M-H+CF3COOH"	112.985586
"1293966"	475.161664	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Cl+CF3COOH"	148.962264
"1370304"	291.186724	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H-2H2O"	-35.012676
"1386345"	309.1967	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H-H2O"	-17.0027
"289314"	653.406076	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+H"	1.007276
"678091"	979.605476	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+H"	1.007276
"1352981"	327.206676	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H"	1.007276
"130246"	327.206676	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+2H"	2.014552
"580018"	490.306376	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+2H"	2.014552
"1046626"	164.106976	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2H"	2.014552
"217446"	218.473542666667	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+3H"	3.021828
"658465"	327.206676	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+3H"	3.021828
"1176225"	109.740409333333	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+3H"	3.021828
"437676"	670.432623	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+NH4"	18.033823
"797578"	996.632023	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+NH4"	18.033823
"1695733"	344.233223	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+NH4"	18.033823
"343279"	335.7199495	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+H+NH4"	19.041099
"734971"	498.8196495	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+H+NH4"	19.041099
"1488792"	172.6202495	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H+NH4"	19.041099
"405650"	675.388018	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+Na"	22.989218
"767376"	1001.587418	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+Na"	22.989218
"1615472"	349.188618	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Na"	22.989218
"329529"	338.197647	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+H+Na"	23.996494
"715750"	501.297347	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+H+Na"	23.996494
"1468477"	175.097947	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H+Na"	23.996494
"1058442"	117.067723333333	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2H+Na"	25.00377
"1264494"	359.232886	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+CH3OH+H"	33.033486
"383068"	691.361958	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+K"	38.963158
"746253"	1017.561358	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+K"	38.963158
"1543931"	365.162558	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+K"	38.963158
"312047"	346.184617	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+H+K"	39.970434
"700096"	509.284317	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+H+K"	39.970434
"1448453"	183.084917	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H+K"	39.970434
"238153"	694.432626	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+ACN+H"	42.033826
"1213409"	368.233226	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+ACN+H"	42.033826
"1196564"	184.620251	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+ACN+2H"	43.041102
"190285"	697.36996	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+2Na-H"	44.97116
"629358"	1023.56936	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+2Na-H"	44.97116
"1132863"	371.17056	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2Na-H"	44.97116
"174326"	349.188618	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+2Na"	45.978436
"613400"	512.288318	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+2Na"	45.978436
"1116541"	186.088918	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2Na"	45.978436
"1399334"	124.395037333333	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H+2Na"	46.985712
"1430479"	373.212146	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H+HCOOH"	47.012746
"221515"	354.22164	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+3H2O+2H"	56.04448
"1509095"	387.26419	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+IsoProp+H"	61.06479
"409020"	357.175588	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+Na+K"	61.952376
"776586"	520.275288	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+Na+K"	61.952376
"1678389"	194.075888	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Na+K"	61.952376
"264909"	716.414568	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+ACN+Na"	64.015768
"1237618"	390.215168	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+ACN+Na"	64.015768
"1725412"	390.238693	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+NH4+HCOOH"	64.039293
"1188579"	131.722351333333	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+3Na"	68.967654
"1661752"	395.194088	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Na+HCOOH"	68.994688
"172259"	729.31784	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+2K-H"	76.91904
"611453"	1055.51724	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+2K-H"	76.91904
"1092683"	403.11844	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2K-H"	76.91904
"151687"	365.162558	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"2M+2K"	77.926316
"592341"	528.262258	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"3M+2K"	77.926316
"1080134"	202.062858	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2K"	77.926316
"1112249"	405.132992	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2K+H"	78.933592
"1346449"	405.220607	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+DMSO+H"	79.021207
"1013883"	409.259776	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2ACN+H"	83.060376
"1528730"	410.253408	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+IsoProp+Na+H"	84.054008
"1004660"	205.133526	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+2ACN+2H"	84.067652
"1598433"	411.168028	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+K+HCOOH"	84.968628
"1424096"	441.199538	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+H+CF3COOH"	115.000138
"1159122"	225.646801	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+3ACN+2H"	125.094202
"1711222"	458.226085	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+NH4+CF3COOH"	132.026685
"1649547"	463.18148	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+Na+CF3COOH"	136.98208
"1574140"	479.15542	"C12260"	"(-)-Tortuosamine;Tortuosamine"	"C20H26N2O2"	"326.1994"	"M+K+CF3COOH"	152.95602
"816543"	286.16	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M"	0
"989227"	267.14161	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-H2O-H"	-19.01839
"77593"	189.766057333333	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M-3H"	-3.021828
"517882"	285.152724	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M-3H"	-3.021828
"894588"	94.3793906666667	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-3H"	-3.021828
"15480"	285.152724	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M-2H"	-2.014552
"454996"	428.232724	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M-2H"	-2.014552
"831982"	142.072724	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-2H"	-2.014552
"93311"	571.312724	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M-H"	-1.007276
"531903"	857.472724	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M-H"	-1.007276
"910960"	285.152724	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-H"	-1.007276
"59823"	588.339271	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M-2H+NH4"	16.019271
"501328"	874.499271	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M-2H+NH4"	16.019271
"875242"	302.179271	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-2H+NH4"	16.019271
"44962"	593.294666	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M-2H+Na"	20.974666
"483429"	879.454666	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M-2H+Na"	20.974666
"859408"	307.134666	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-2H+Na"	20.974666
"1623475"	307.134666	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Na-2H"	20.974666
"100003"	303.141063	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M-H+Cl"	33.962126
"536647"	446.221063	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M-H+Cl"	33.962126
"929432"	160.061063	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-H+Cl"	33.962126
"274921"	607.289402	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+Cl"	34.969402
"668439"	893.449402	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+Cl"	34.969402
"1285949"	321.129402	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Cl"	34.969402
"29598"	609.268606	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M-2H+K"	36.948606
"460773"	895.428606	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M-2H+K"	36.948606
"840762"	323.108606	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-2H+K"	36.948606
"1564252"	323.108606	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+K-2H"	36.948606
"951041"	331.158194	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-H+HCOOH"	44.998194
"368164"	617.318201	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+HCOOH-H"	44.998201
"350226"	631.333851	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+Hac-H"	59.013851
"1495417"	345.173851	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Hac-H"	59.013851
"961864"	353.140151	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-H+NaCOOH"	66.980151
"112229"	321.129402	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+2Cl"	69.938804
"556894"	464.209402	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+2Cl"	69.938804
"1027878"	178.049402	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2Cl"	69.938804
"1251830"	365.078885	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Br"	78.918885
"1314279"	367.134872	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Cl+HCOOH"	80.974872
"1323396"	389.116829	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Cl+NaCOOH"	102.956829
"914816"	399.145586	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M-H+CF3COOH"	112.985586
"1292254"	435.122264	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Cl+CF3COOH"	148.962264
"1372239"	251.147324	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H-2H2O"	-35.012676
"1386820"	269.1573	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H-H2O"	-17.0027
"289422"	573.327276	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+H"	1.007276
"682943"	859.487276	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+H"	1.007276
"1360386"	287.167276	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H"	1.007276
"138016"	287.167276	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+2H"	2.014552
"577941"	430.247276	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+2H"	2.014552
"1050389"	144.087276	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2H"	2.014552
"216828"	191.780609333333	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+3H"	3.021828
"652378"	287.167276	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+3H"	3.021828
"1170505"	96.3939426666667	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+3H"	3.021828
"435597"	590.353823	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+NH4"	18.033823
"799753"	876.513823	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+NH4"	18.033823
"1694019"	304.193823	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+NH4"	18.033823
"339380"	295.6805495	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+H+NH4"	19.041099
"730708"	438.7605495	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+H+NH4"	19.041099
"1488903"	152.6005495	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H+NH4"	19.041099
"403213"	595.309218	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+Na"	22.989218
"765303"	881.469218	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+Na"	22.989218
"1616682"	309.149218	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Na"	22.989218
"322345"	298.158247	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+H+Na"	23.996494
"714767"	441.238247	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+H+Na"	23.996494
"1468587"	155.078247	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H+Na"	23.996494
"1059647"	103.721256666667	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2H+Na"	25.00377
"1267886"	319.193486	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+CH3OH+H"	33.033486
"388650"	611.283158	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+K"	38.963158
"750739"	897.443158	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+K"	38.963158
"1551698"	325.123158	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+K"	38.963158
"309972"	306.145217	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+H+K"	39.970434
"700206"	449.225217	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+H+K"	39.970434
"1451849"	163.065217	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H+K"	39.970434
"239354"	614.353826	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+ACN+H"	42.033826
"1211332"	328.193826	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+ACN+H"	42.033826
"1196307"	164.600551	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+ACN+2H"	43.041102
"194280"	617.29116	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+2Na-H"	44.97116
"632746"	903.45116	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+2Na-H"	44.97116
"1135158"	331.13116	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2Na-H"	44.97116
"174559"	309.149218	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+2Na"	45.978436
"614118"	452.229218	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+2Na"	45.978436
"1117989"	166.069218	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2Na"	45.978436
"1403945"	111.048570666667	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H+2Na"	46.985712
"1431563"	333.172746	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H+HCOOH"	47.012746
"224661"	314.18224	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+3H2O+2H"	56.04448
"1510543"	347.22479	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+IsoProp+H"	61.06479
"411322"	317.136188	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+Na+K"	61.952376
"780708"	460.216188	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+Na+K"	61.952376
"1677404"	174.056188	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Na+K"	61.952376
"264654"	636.335768	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+ACN+Na"	64.015768
"1237726"	350.175768	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+ACN+Na"	64.015768
"1726249"	350.199293	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+NH4+HCOOH"	64.039293
"1186503"	118.375884666667	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+3Na"	68.967654
"1656394"	355.154688	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Na+HCOOH"	68.994688
"170543"	649.23904	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+2K-H"	76.91904
"609376"	935.39904	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+2K-H"	76.91904
"1093887"	363.07904	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2K-H"	76.91904
"153984"	325.123158	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"2M+2K"	77.926316
"592451"	468.203158	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"3M+2K"	77.926316
"1082310"	182.043158	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2K"	77.926316
"1112359"	365.093592	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2K+H"	78.933592
"1345464"	365.181207	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+DMSO+H"	79.021207
"1011806"	369.220376	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2ACN+H"	83.060376
"1532121"	370.214008	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+IsoProp+Na+H"	84.054008
"1001850"	185.113826	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+2ACN+2H"	84.067652
"1599634"	371.128628	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+K+HCOOH"	84.968628
"1428575"	401.160138	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+H+CF3COOH"	115.000138
"1157769"	205.627101	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+3ACN+2H"	125.094202
"1708414"	418.186685	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+NH4+CF3COOH"	132.026685
"1646252"	423.14208	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+Na+CF3COOH"	136.98208
"1584093"	439.11602	"C12261"	"234-Trioxycyclopentanone"	"C14H26O4Si"	"286.16"	"M+K+CF3COOH"	152.95602
"815809"	347.1733	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M"	0
"989793"	328.15491	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-H2O-H"	-19.01839
"78184"	230.441590666667	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M-3H"	-3.021828
"517512"	346.166024	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M-3H"	-3.021828
"895570"	114.717157333333	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-3H"	-3.021828
"15605"	346.166024	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M-2H"	-2.014552
"454655"	519.752674	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M-2H"	-2.014552
"832220"	172.579374	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-2H"	-2.014552
"94274"	693.339324	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M-H"	-1.007276
"530922"	1040.512624	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M-H"	-1.007276
"911147"	346.166024	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-H"	-1.007276
"62241"	710.365871	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M-2H+NH4"	16.019271
"501315"	1057.539171	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M-2H+NH4"	16.019271
"878873"	363.192571	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-2H+NH4"	16.019271
"38877"	715.321266	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M-2H+Na"	20.974666
"483902"	1062.494566	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M-2H+Na"	20.974666
"859518"	368.147966	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-2H+Na"	20.974666
"1621399"	368.147966	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Na-2H"	20.974666
"99020"	364.154363	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M-H+Cl"	33.962126
"536398"	537.741013	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M-H+Cl"	33.962126
"928816"	190.567713	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-H+Cl"	33.962126
"271751"	729.316002	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+Cl"	34.969402
"671470"	1076.489302	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+Cl"	34.969402
"1284967"	382.142702	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Cl"	34.969402
"26794"	731.295206	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M-2H+K"	36.948606
"465259"	1078.468506	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M-2H+K"	36.948606
"840872"	384.121906	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-2H+K"	36.948606
"1569831"	384.121906	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+K-2H"	36.948606
"956622"	392.171494	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-H+HCOOH"	44.998194
"368276"	739.344801	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+HCOOH-H"	44.998201
"356535"	753.360451	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+Hac-H"	59.013851
"1500995"	406.187151	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Hac-H"	59.013851
"964162"	414.153451	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-H+NaCOOH"	66.980151
"116350"	382.142702	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+2Cl"	69.938804
"559192"	555.729352	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+2Cl"	69.938804
"1030176"	208.556052	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2Cl"	69.938804
"1254129"	426.092185	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Br"	78.918885
"1318767"	428.148172	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Cl+HCOOH"	80.974872
"1332619"	450.130129	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Cl+NaCOOH"	102.956829
"916753"	460.158886	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M-H+CF3COOH"	112.985586
"1292002"	496.135564	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Cl+CF3COOH"	148.962264
"1372716"	312.160624	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H-2H2O"	-35.012676
"1393128"	330.1706	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H-H2O"	-17.0027
"290627"	695.353876	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+H"	1.007276
"679773"	1042.527176	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+H"	1.007276
"1363048"	348.180576	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H"	1.007276
"136666"	348.180576	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+2H"	2.014552
"579876"	521.767226	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+2H"	2.014552
"1051594"	174.593926	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2H"	2.014552
"217302"	232.456142666667	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+3H"	3.021828
"652488"	348.180576	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+3H"	3.021828
"1174988"	116.731709333333	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+3H"	3.021828
"436072"	712.380423	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+NH4"	18.033823
"797069"	1059.553723	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+NH4"	18.033823
"1693036"	365.207123	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+NH4"	18.033823
"341315"	356.6938495	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+H+NH4"	19.041099
"731912"	530.2804995	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+H+NH4"	19.041099
"1487920"	183.1071995	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H+NH4"	19.041099
"404412"	717.335818	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+Na"	22.989218
"767600"	1064.509118	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+Na"	22.989218
"1618254"	370.162518	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Na"	22.989218
"326831"	359.171547	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+H+Na"	23.996494
"719255"	532.758197	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+H+Na"	23.996494
"1474165"	185.584897	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H+Na"	23.996494
"1066322"	124.059023333333	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2H+Na"	25.00377
"1270550"	380.206786	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+CH3OH+H"	33.033486
"390947"	733.309758	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+K"	38.963158
"753038"	1080.483058	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+K"	38.963158
"1555093"	386.136458	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+K"	38.963158
"306802"	367.158517	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+H+K"	39.970434
"703596"	540.745167	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+H+K"	39.970434
"1450865"	193.571867	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H+K"	39.970434
"240559"	736.380426	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+ACN+H"	42.033826
"1210467"	389.207126	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+ACN+H"	42.033826
"1197148"	195.107201	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+ACN+2H"	43.041102
"194390"	739.31776	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+2Na-H"	44.97116
"633950"	1086.49106	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+2Na-H"	44.97116
"1134176"	392.14446	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2Na-H"	44.97116
"173575"	370.162518	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+2Na"	45.978436
"613418"	543.749168	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+2Na"	45.978436
"1127093"	196.575868	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2Na"	45.978436
"1412075"	131.386337333333	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H+2Na"	46.985712
"1441639"	394.186046	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H+HCOOH"	47.012746
"229149"	375.19554	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+3H2O+2H"	56.04448
"1510653"	408.23809	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+IsoProp+H"	61.06479
"412890"	378.149488	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+Na+K"	61.952376
"783735"	551.736138	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+Na+K"	61.952376
"1680069"	204.562838	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Na+K"	61.952376
"265861"	758.362368	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+ACN+Na"	64.015768
"1241106"	411.189068	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+ACN+Na"	64.015768
"1727456"	411.212593	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+NH4+HCOOH"	64.039293
"1189894"	138.713651333333	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+3Na"	68.967654
"1665012"	416.167988	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Na+HCOOH"	68.994688
"171748"	771.26564	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+2K-H"	76.91904
"612528"	1118.43894	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+2K-H"	76.91904
"1095090"	424.09234	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2K-H"	76.91904
"154094"	386.136458	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"2M+2K"	77.926316
"595355"	559.723108	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"3M+2K"	77.926316
"1080353"	212.549808	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2K"	77.926316
"1115146"	426.106892	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2K+H"	78.933592
"1350926"	426.194507	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+DMSO+H"	79.021207
"1016292"	430.233676	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2ACN+H"	83.060376
"1539281"	431.227308	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+IsoProp+Na+H"	84.054008
"1004026"	215.620476	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+2ACN+2H"	84.067652
"1601931"	432.141928	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+K+HCOOH"	84.968628
"1428686"	462.173438	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+H+CF3COOH"	115.000138
"1161159"	236.133751	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+3ACN+2H"	125.094202
"1711806"	479.199985	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+NH4+CF3COOH"	132.026685
"1648549"	484.15538	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+Na+CF3COOH"	136.98208
"1584203"	500.12932	"C12262"	"44-Disubstituted cyclohexenone"	"C19H25NO5"	"347.1733"	"M+K+CF3COOH"	152.95602
"816036"	220.1099	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M"	0
"988110"	201.09151	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-H2O-H"	-19.01839
"77570"	145.732657333333	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M-3H"	-3.021828
"517739"	219.102624	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M-3H"	-3.021828
"895479"	72.3626906666667	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-3H"	-3.021828
"15090"	219.102624	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M-2H"	-2.014552
"454775"	329.157574	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M-2H"	-2.014552
"832083"	109.047674	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-2H"	-2.014552
"93534"	439.212524	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M-H"	-1.007276
"531761"	659.322424	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M-H"	-1.007276
"908705"	219.102624	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-H"	-1.007276
"60407"	456.239071	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M-2H+NH4"	16.019271
"501671"	676.348971	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M-2H+NH4"	16.019271
"875463"	236.129171	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-2H+NH4"	16.019271
"43363"	461.194466	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M-2H+Na"	20.974666
"474540"	681.304366	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M-2H+Na"	20.974666
"850885"	241.084566	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-2H+Na"	20.974666
"1620052"	241.084566	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Na-2H"	20.974666
"94840"	237.090963	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M-H+Cl"	33.962126
"537602"	347.145913	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M-H+Cl"	33.962126
"932211"	127.036013	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-H+Cl"	33.962126
"271861"	475.189202	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+Cl"	34.969402
"671941"	695.299102	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+Cl"	34.969402
"1285077"	255.079302	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Cl"	34.969402
"26904"	477.168406	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M-2H+K"	36.948606
"470110"	697.278306	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M-2H+K"	36.948606
"843173"	257.058506	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-2H+K"	36.948606
"1564475"	257.058506	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+K-2H"	36.948606
"953450"	265.108094	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-H+HCOOH"	44.998194
"366563"	485.218001	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+HCOOH-H"	44.998201
"348260"	499.233651	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+Hac-H"	59.013851
"1504389"	279.123751	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Hac-H"	59.013851
"964274"	287.090051	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-H+NaCOOH"	66.980151
"113547"	255.079302	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+2Cl"	69.938804
"554929"	365.134252	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+2Cl"	69.938804
"1028101"	145.024352	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2Cl"	69.938804
"1247680"	299.028785	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Br"	78.918885
"1313408"	301.084772	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Cl+HCOOH"	80.974872
"1331636"	323.066729	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Cl+NaCOOH"	102.956829
"912243"	333.095486	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M-H+CF3COOH"	112.985586
"1291387"	369.072164	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Cl+CF3COOH"	148.962264
"1375744"	185.097224	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H-2H2O"	-35.012676
"1392146"	203.1072	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H-H2O"	-17.0027
"295844"	441.227076	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+H"	1.007276
"686442"	661.336976	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+H"	1.007276
"1364978"	221.117176	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H"	1.007276
"138599"	221.117176	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+2H"	2.014552
"580960"	331.172126	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+2H"	2.014552
"1051338"	111.062226	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2H"	2.014552
"218510"	147.747209333333	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+3H"	3.021828
"657705"	221.117176	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+3H"	3.021828
"1174007"	74.3772426666667	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+3H"	3.021828
"436184"	458.253623	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+NH4"	18.033823
"798639"	678.363523	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+NH4"	18.033823
"1693147"	238.143723	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+NH4"	18.033823
"342885"	229.6304495	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+H+NH4"	19.041099
"734212"	339.6853995	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+H+NH4"	19.041099
"1489124"	119.5754995	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H+NH4"	19.041099
"404522"	463.209018	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+Na"	22.989218
"767710"	683.318918	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+Na"	22.989218
"1617635"	243.099118	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Na"	22.989218
"328281"	232.108147	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+H+Na"	23.996494
"722406"	342.163097	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+H+Na"	23.996494
"1475861"	122.053197	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H+Na"	23.996494
"1067774"	81.7045566666667	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2H+Na"	25.00377
"1271880"	253.143386	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+CH3OH+H"	33.033486
"387779"	479.182958	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+K"	38.963158
"752054"	699.292858	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+K"	38.963158
"1554844"	259.073058	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+K"	38.963158
"312749"	240.095117	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+H+K"	39.970434
"705170"	350.150067	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+H+K"	39.970434
"1457535"	130.040167	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H+K"	39.970434
"245045"	482.253626	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+ACN+H"	42.033826
"1217753"	262.143726	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+ACN+H"	42.033826
"1204915"	131.575501	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+ACN+2H"	43.041102
"196690"	485.19096	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+2Na-H"	44.97116
"637346"	705.30086	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+2Na-H"	44.97116
"1137566"	265.08106	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2Na-H"	44.97116
"179763"	243.099118	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+2Na"	45.978436
"621510"	353.154068	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+2Na"	45.978436
"1123923"	133.044168	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2Na"	45.978436
"1402343"	89.0318706666667	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H+2Na"	46.985712
"1436283"	267.122646	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H+HCOOH"	47.012746
"224889"	248.13214	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+3H2O+2H"	56.04448
"1511855"	281.17469	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+IsoProp+H"	61.06479
"418109"	251.086088	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+Na+K"	61.952376
"782023"	361.141038	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+Na+K"	61.952376
"1679815"	141.031138	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Na+K"	61.952376
"263417"	504.235568	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+ACN+Na"	64.015768
"1239043"	284.125668	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+ACN+Na"	64.015768
"1726836"	284.149193	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+NH4+HCOOH"	64.039293
"1192563"	96.3591846666667	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+3Na"	68.967654
"1664882"	289.104588	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Na+HCOOH"	68.994688
"172785"	517.13884	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+2K-H"	76.91904
"611784"	737.24874	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+2K-H"	76.91904
"1099090"	297.02894	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2K-H"	76.91904
"156980"	259.073058	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"2M+2K"	77.926316
"595588"	369.128008	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"3M+2K"	77.926316
"1084192"	149.018108	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2K"	77.926316
"1113675"	299.043492	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2K+H"	78.933592
"1351251"	299.131107	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+DMSO+H"	79.021207
"1016400"	303.170276	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2ACN+H"	83.060376
"1532341"	304.163908	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+IsoProp+Na+H"	84.054008
"1004257"	152.088776	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+2ACN+2H"	84.067652
"1601924"	305.078528	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+K+HCOOH"	84.968628
"1428800"	335.110038	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+H+CF3COOH"	115.000138
"1162367"	172.602051	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+3ACN+2H"	125.094202
"1711554"	352.136585	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+NH4+CF3COOH"	132.026685
"1648295"	357.09198	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+Na+CF3COOH"	136.98208
"1584313"	373.06592	"C12263"	"12-Dimethoxy-4-2-(2-propenyloxy)ethenyl-benzene"	"C13H16O3"	"220.1099"	"M+K+CF3COOH"	152.95602
"811401"	222.0528	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M"	0
"989192"	203.03441	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"78000"	147.027924	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"517482"	221.045524	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"894797"	73.010324	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"14464"	221.045524	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"453061"	332.071924	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"830980"	110.019124	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"91453"	443.098324	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"530406"	665.151124	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"908814"	221.045524	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"59299"	460.124871	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"499594"	682.177671	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"876304"	238.072071	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"42380"	465.080266	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"471528"	687.133066	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"848809"	243.027466	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1618661"	243.027466	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"95234"	239.033863	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"538807"	350.060263	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"928190"	128.007463	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"268691"	479.075002	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"671687"	701.127802	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1281174"	257.022202	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"19722"	481.054206	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"462198"	703.107006	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"836721"	259.001406	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1563494"	259.001406	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"951374"	267.050994	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"366308"	489.103801	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"348734"	503.119451	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1505228"	281.066651	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"967302"	289.032951	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"115480"	257.022202	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"555403"	368.048602	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1030398"	145.995802	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1251070"	300.971685	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1317164"	303.027672	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1332839"	325.009629	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"912596"	335.038386	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1291130"	371.015064	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1374031"	187.040124	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1388976"	205.0501	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"294132"	445.112876	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"686552"	667.165676	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1362536"	223.060076	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"134698"	223.060076	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"576448"	334.086476	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1050353"	112.033676	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"217889"	149.042476	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"654898"	223.060076	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1170838"	75.024876	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"434108"	462.139423	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"795104"	684.192223	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1690342"	240.086623	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"343968"	231.5733495	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"732136"	342.5997495	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1485955"	120.5469495	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"403539"	467.094818	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"765633"	689.147618	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1610451"	245.042018	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"328995"	234.051047	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"721537"	345.077447	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1473293"	123.024647	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1063259"	82.35219	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1271137"	255.086286	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"390076"	483.068758	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"753257"	705.121558	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1553122"	261.015958	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"310307"	242.038017	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"704550"	353.064417	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1455825"	131.011617	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"242968"	486.139426	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1217863"	264.086626	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1198466"	132.546951	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"192429"	489.07676	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"636363"	711.12956	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1138772"	267.02396	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"180969"	245.042018	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"621622"	356.068418	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1125128"	134.015618	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1404276"	89.679504	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1434207"	269.065546	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"224999"	250.07504	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1511968"	283.11759	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"418219"	253.028988	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"785052"	364.055388	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1677373"	142.002588	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"266080"	508.121368	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1235873"	286.068568	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1726946"	286.092093	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1193640"	97.006818	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1664021"	291.047488	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"172213"	521.02464	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"611773"	743.07744	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1098598"	298.97184	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"155778"	261.015958	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"594849"	372.042358	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1081546"	149.989558	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1111597"	300.986392	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1347982"	301.074007	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1016509"	305.113176	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1536825"	306.106808	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"1005100"	153.060226	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1601062"	307.021428	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1428910"	337.052938	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1162558"	173.573501	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1712029"	354.079485	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1647676"	359.03488	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1584423"	375.00882	"C12264"	"6-(2-Methoxyvinyl)benzo13dioxole-5-carboxylic acid"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"816731"	147.0532	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M"	0
"989428"	128.03481	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-H2O-H"	-19.01839
"77662"	97.0281906666667	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M-3H"	-3.021828
"517712"	146.045924	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M-3H"	-3.021828
"894906"	48.0104573333333	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-3H"	-3.021828
"15265"	146.045924	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M-2H"	-2.014552
"454986"	219.572524	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M-2H"	-2.014552
"828776"	72.519324	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-2H"	-2.014552
"90956"	293.099124	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M-H"	-1.007276
"531251"	440.152324	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M-H"	-1.007276
"908323"	146.045924	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-H"	-1.007276
"59051"	310.125671	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M-2H+NH4"	16.019271
"492416"	457.178871	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M-2H+NH4"	16.019271
"866938"	163.072471	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-2H+NH4"	16.019271
"32773"	315.081066	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M-2H+Na"	20.974666
"472086"	462.134266	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M-2H+Na"	20.974666
"856576"	168.027866	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-2H+Na"	20.974666
"1623922"	168.027866	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Na-2H"	20.974666
"100454"	164.034263	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M-H+Cl"	33.962126
"542201"	237.560863	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M-H+Cl"	33.962126
"934623"	90.507663	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-H+Cl"	33.962126
"277558"	329.075802	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+Cl"	34.969402
"669248"	476.129002	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+Cl"	34.969402
"1281652"	182.022602	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Cl"	34.969402
"24941"	331.055006	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M-2H+K"	36.948606
"465595"	478.108206	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M-2H+K"	36.948606
"844491"	184.001806	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-2H+K"	36.948606
"1562515"	184.001806	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+K-2H"	36.948606
"946751"	192.051394	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-H+HCOOH"	44.998194
"366058"	339.104601	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+HCOOH-H"	44.998201
"349217"	353.120251	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+Hac-H"	59.013851
"1498048"	206.067051	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Hac-H"	59.013851
"968142"	214.033351	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-H+NaCOOH"	66.980151
"116684"	182.022602	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+2Cl"	69.938804
"560254"	255.549202	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+2Cl"	69.938804
"1029780"	108.496002	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2Cl"	69.938804
"1253005"	225.972085	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Br"	78.918885
"1311806"	228.028072	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Cl+HCOOH"	80.974872
"1321281"	250.010029	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Cl+NaCOOH"	102.956829
"917082"	260.038786	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M-H+CF3COOH"	112.985586
"1290507"	296.015464	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Cl+CF3COOH"	148.962264
"1370865"	112.040524	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H-2H2O"	-35.012676
"1386904"	130.0505	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H-H2O"	-17.0027
"295339"	295.113676	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+H"	1.007276
"687761"	442.166876	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+H"	1.007276
"1363017"	148.060476	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H"	1.007276
"138095"	148.060476	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+2H"	2.014552
"578750"	221.587076	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+2H"	2.014552
"1051801"	74.533876	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2H"	2.014552
"213263"	99.0427426666667	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+3H"	3.021828
"656104"	148.060476	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+3H"	3.021828
"1170948"	50.0250093333333	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+3H"	3.021828
"436409"	312.140223	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+NH4"	18.033823
"797404"	459.193423	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+NH4"	18.033823
"1696411"	165.087023	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+NH4"	18.033823
"343838"	156.5737495	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+H+NH4"	19.041099
"733342"	230.1003495	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+H+NH4"	19.041099
"1488257"	83.0471495	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H+NH4"	19.041099
"407547"	317.095618	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+Na"	22.989218
"766841"	464.148818	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+Na"	22.989218
"1616035"	170.042418	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Na"	22.989218
"326801"	159.051447	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+H+Na"	23.996494
"719588"	232.578047	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+H+Na"	23.996494
"1473406"	85.524847	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H+Na"	23.996494
"1063372"	57.3523233333333	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2H+Na"	25.00377
"1261772"	180.086686	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+CH3OH+H"	33.033486
"381445"	333.069558	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+K"	38.963158
"744626"	480.122758	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+K"	38.963158
"1540842"	186.016358	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+K"	38.963158
"299845"	167.038417	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+H+K"	39.970434
"700655"	240.565017	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+H+K"	39.970434
"1452289"	93.511817	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H+K"	39.970434
"243076"	336.140226	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+ACN+H"	42.033826
"1216876"	189.087026	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+ACN+H"	42.033826
"1196753"	95.047151	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+ACN+2H"	43.041102
"196914"	339.07756	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+2Na-H"	44.97116
"634285"	486.13076	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+2Na-H"	44.97116
"1138883"	192.02436	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2Na-H"	44.97116
"179985"	170.042418	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+2Na"	45.978436
"618819"	243.569018	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+2Na"	45.978436
"1120502"	96.515818	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2Na"	45.978436
"1408772"	64.6796373333333	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H+2Na"	46.985712
"1435420"	194.065946	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H+HCOOH"	47.012746
"233870"	175.07544	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+3H2O+2H"	56.04448
"1521563"	208.11799	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+IsoProp+H"	61.06479
"423074"	178.029388	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+Na+K"	61.952376
"784437"	251.555988	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+Na+K"	61.952376
"1678942"	104.502788	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Na+K"	61.952376
"257807"	358.122168	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+ACN+Na"	64.015768
"1234890"	211.068968	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+ACN+Na"	64.015768
"1724870"	211.092493	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+NH4+HCOOH"	64.039293
"1191317"	72.0069513333333	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+3Na"	68.967654
"1662673"	216.047888	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Na+HCOOH"	68.994688
"170628"	371.02544	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+2K-H"	76.91904
"610187"	518.07864	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+2K-H"	76.91904
"1097125"	223.97224	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2K-H"	76.91904
"155161"	186.016358	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"2M+2K"	77.926316
"593992"	259.542958	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"3M+2K"	77.926316
"1082511"	112.489758	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2K"	77.926316
"1111351"	225.986792	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2K+H"	78.933592
"1347738"	226.074407	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+DMSO+H"	79.021207
"1018450"	230.113576	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2ACN+H"	83.060376
"1537308"	231.107208	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+IsoProp+Na+H"	84.054008
"1002296"	115.560426	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+2ACN+2H"	84.067652
"1598986"	232.021828	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+K+HCOOH"	84.968628
"1423555"	262.053338	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+H+CF3COOH"	115.000138
"1161493"	136.073701	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+3ACN+2H"	125.094202
"1707765"	279.079885	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+NH4+CF3COOH"	132.026685
"1640136"	284.03528	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+Na+CF3COOH"	136.98208
"1584537"	300.00922	"C12269"	"N-Methyl-D-aspartic acid;N-Methyl-D-aspartate;NMDA"	"C5H9NO4"	"147.0532"	"M+K+CF3COOH"	152.95602
"810530"	304.0907	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M"	0
"984062"	285.07231	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-H2O-H"	-19.01839
"70117"	201.719857333333	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M-3H"	-3.021828
"508583"	303.083424	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M-3H"	-3.021828
"892950"	100.356290666667	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-3H"	-3.021828
"14806"	303.083424	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M-2H"	-2.014552
"452180"	455.128774	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M-2H"	-2.014552
"826700"	151.038074	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-2H"	-2.014552
"88880"	607.174124	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M-H"	-1.007276
"532089"	911.264824	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M-H"	-1.007276
"909768"	303.083424	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-H"	-1.007276
"57337"	624.200671	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M-2H+NH4"	16.019271
"487421"	928.291371	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M-2H+NH4"	16.019271
"867168"	320.109971	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-2H+NH4"	16.019271
"34948"	629.156066	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M-2H+Na"	20.974666
"478884"	933.246766	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M-2H+Na"	20.974666
"853406"	325.065366	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-2H+Na"	20.974666
"1621847"	325.065366	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Na-2H"	20.974666
"100564"	321.071763	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M-H+Cl"	33.962126
"541218"	473.117113	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M-H+Cl"	33.962126
"933640"	169.026413	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-H+Cl"	33.962126
"274022"	643.150802	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+Cl"	34.969402
"668265"	947.241502	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+Cl"	34.969402
"1281762"	339.060102	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Cl"	34.969402
"26144"	645.130006	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M-2H+K"	36.948606
"464613"	949.220706	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M-2H+K"	36.948606
"847155"	341.039306	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-2H+K"	36.948606
"1565906"	341.039306	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+K-2H"	36.948606
"949414"	349.088894	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-H+HCOOH"	44.998194
"371275"	653.179601	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+HCOOH-H"	44.998201
"356617"	667.195251	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+Hac-H"	59.013851
"1502168"	363.104551	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Hac-H"	59.013851
"970440"	371.070851	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-H+NaCOOH"	66.980151
"120804"	339.060102	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+2Cl"	69.938804
"560728"	491.105452	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+2Cl"	69.938804
"1029526"	187.014752	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2Cl"	69.938804
"1245823"	383.009585	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Br"	78.918885
"1306448"	385.065572	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Cl+HCOOH"	80.974872
"1321030"	407.047529	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Cl+NaCOOH"	102.956829
"914275"	417.076286	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M-H+CF3COOH"	112.985586
"1291717"	453.052964	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Cl+CF3COOH"	148.962264
"1373892"	269.078024	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H-2H2O"	-35.012676
"1398358"	287.088	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H-H2O"	-17.0027
"295449"	609.188676	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+H"	1.007276
"690791"	913.279376	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+H"	1.007276
"1365314"	305.097976	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H"	1.007276
"136019"	305.097976	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+2H"	2.014552
"578860"	457.143326	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+2H"	2.014552
"1052032"	153.052626	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2H"	2.014552
"214466"	203.734409333333	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+3H"	3.021828
"658889"	305.097976	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+3H"	3.021828
"1173246"	102.370842666667	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+3H"	3.021828
"436519"	626.215223	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+NH4"	18.033823
"794234"	930.305923	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+NH4"	18.033823
"1694941"	322.124523	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+NH4"	18.033823
"341397"	313.6112495	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+H+NH4"	19.041099
"732358"	465.6565995	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+H+NH4"	19.041099
"1490556"	161.5658995	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H+NH4"	19.041099
"405592"	631.170618	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+Na"	22.989218
"765862"	935.261318	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+Na"	22.989218
"1613958"	327.079918	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Na"	22.989218
"329098"	316.088947	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+H+Na"	23.996494
"721278"	468.134297	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+H+Na"	23.996494
"1472427"	164.043597	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H+Na"	23.996494
"1063485"	109.698156666667	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2H+Na"	25.00377
"1260792"	337.124186	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+CH3OH+H"	33.033486
"385930"	647.144558	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+K"	38.963158
"741458"	951.235258	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+K"	38.963158
"1544602"	343.053858	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+K"	38.963158
"307247"	324.075917	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+H+K"	39.970434
"700765"	476.121267	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+H+K"	39.970434
"1453493"	172.030567	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H+K"	39.970434
"244282"	650.215226	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+ACN+H"	42.033826
"1219173"	346.124526	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+ACN+H"	42.033826
"1198686"	173.565901	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+ACN+2H"	43.041102
"198118"	653.15256	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+2Na-H"	44.97116
"634032"	957.24326	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+2Na-H"	44.97116
"1140086"	349.06186	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2Na-H"	44.97116
"183374"	327.079918	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+2Na"	45.978436
"620386"	479.125268	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+2Na"	45.978436
"1119519"	175.034568	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2Na"	45.978436
"1405600"	117.025470666667	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H+2Na"	46.985712
"1438810"	351.103446	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H+HCOOH"	47.012746
"234955"	332.11294	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+3H2O+2H"	56.04448
"1522037"	365.15549	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+IsoProp+H"	61.06479
"422822"	335.066888	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+Na+K"	61.952376
"784546"	487.112238	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+Na+K"	61.952376
"1679056"	183.021538	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Na+K"	61.952376
"265939"	672.197168	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+ACN+Na"	64.015768
"1234999"	368.106468	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+ACN+Na"	64.015768
"1725711"	368.129993	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+NH4+HCOOH"	64.039293
"1189970"	124.352784666667	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+3Na"	68.967654
"1663511"	373.085388	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Na+HCOOH"	68.994688
"170739"	685.10044	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+2K-H"	76.91904
"611391"	989.19114	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+2K-H"	76.91904
"1098816"	381.00974	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2K-H"	76.91904
"155515"	343.053858	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"2M+2K"	77.926316
"595190"	495.099208	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"3M+2K"	77.926316
"1082620"	191.008508	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2K"	77.926316
"1113769"	383.024292	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2K+H"	78.933592
"1350028"	383.111907	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+DMSO+H"	79.021207
"1020141"	387.151076	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2ACN+H"	83.060376
"1538508"	388.144708	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+IsoProp+Na+H"	84.054008
"1003501"	194.079176	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+2ACN+2H"	84.067652
"1601647"	389.059328	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+K+HCOOH"	84.968628
"1425847"	419.090838	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+H+CF3COOH"	115.000138
"1161967"	214.592451	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+3ACN+2H"	125.094202
"1707875"	436.117385	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+NH4+CF3COOH"	132.026685
"1638058"	441.07278	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+Na+CF3COOH"	136.98208
"1584647"	457.04672	"C12270"	"N-Acetylaspartylglutamate;NAAG;Isospaglumic acid;N-Acetyl-L-aspartyl-L-glutamate"	"C11H16N2O8"	"304.0907"	"M+K+CF3COOH"	152.95602
"813920"	439.3086	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M"	0
"984172"	420.29021	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-H2O-H"	-19.01839
"72414"	291.865124	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M-3H"	-3.021828
"511973"	438.301324	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M-3H"	-3.021828
"891963"	145.428924	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-3H"	-3.021828
"14673"	438.301324	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M-2H"	-2.014552
"451924"	657.955624	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M-2H"	-2.014552
"826808"	218.647024	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-2H"	-2.014552
"88989"	877.609924	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M-H"	-1.007276
"528552"	1316.918524	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M-H"	-1.007276
"909635"	438.301324	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-H"	-1.007276
"58541"	894.636471	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M-2H+NH4"	16.019271
"490453"	1333.945071	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M-2H+NH4"	16.019271
"867158"	455.327871	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-2H+NH4"	16.019271
"35059"	899.591866	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M-2H+Na"	20.974666
"481182"	1338.900466	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M-2H+Na"	20.974666
"853516"	460.283266	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-2H+Na"	20.974666
"1627424"	460.283266	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Na-2H"	20.974666
"107602"	456.289663	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M-H+Cl"	33.962126
"545703"	675.943963	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M-H+Cl"	33.962126
"934844"	236.635363	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-H+Cl"	33.962126
"279963"	913.586602	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+Cl"	34.969402
"672385"	1352.895202	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+Cl"	34.969402
"1284788"	474.278002	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Cl"	34.969402
"27347"	915.565806	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M-2H+K"	36.948606
"469462"	1354.874406	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M-2H+K"	36.948606
"844711"	476.257206	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-2H+K"	36.948606
"1567109"	476.257206	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+K-2H"	36.948606
"952805"	484.306794	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-H+HCOOH"	44.998194
"372479"	923.615401	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+HCOOH-H"	44.998201
"353812"	937.631051	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+Hac-H"	59.013851
"1505196"	498.322451	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Hac-H"	59.013851
"970915"	506.288751	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-H+NaCOOH"	66.980151
"112530"	474.278002	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+2Cl"	69.938804
"556465"	693.932302	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+2Cl"	69.938804
"1031459"	254.623702	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2Cl"	69.938804
"1255294"	518.227485	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Br"	78.918885
"1306923"	520.283472	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Cl+HCOOH"	80.974872
"1322598"	542.265429	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Cl+NaCOOH"	102.956829
"913656"	552.294186	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M-H+CF3COOH"	112.985586
"1290368"	588.270864	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Cl+CF3COOH"	148.962264
"1375095"	404.295924	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H-2H2O"	-35.012676
"1397942"	422.3059	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H-H2O"	-17.0027
"297870"	879.624476	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+H"	1.007276
"690658"	1318.933076	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+H"	1.007276
"1365425"	440.315876	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H"	1.007276
"139409"	440.315876	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+2H"	2.014552
"579700"	659.970176	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+2H"	2.014552
"1051049"	220.661576	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2H"	2.014552
"215670"	293.879676	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+3H"	3.021828
"658512"	440.315876	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+3H"	3.021828
"1171169"	147.443476	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+3H"	3.021828
"432255"	896.651023	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+NH4"	18.033823
"793251"	1335.959623	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+NH4"	18.033823
"1692863"	457.342423	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+NH4"	18.033823
"342600"	448.8291495	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+H+NH4"	19.041099
"729188"	668.4834495	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+H+NH4"	19.041099
"1490302"	229.1748495	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H+NH4"	19.041099
"406433"	901.606418	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+Na"	22.989218
"769251"	1340.915018	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+Na"	22.989218
"1615892"	462.297818	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Na"	22.989218
"329862"	451.306847	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+H+Na"	23.996494
"720536"	670.961147	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+H+Na"	23.996494
"1474357"	231.652547	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H+Na"	23.996494
"1066877"	154.77079	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2H+Na"	25.00377
"1263089"	472.342086	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+CH3OH+H"	33.033486
"386040"	917.580358	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+K"	38.963158
"743755"	1356.888958	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+K"	38.963158
"1546899"	478.271758	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+K"	38.963158
"307357"	459.293817	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+H+K"	39.970434
"704155"	678.948117	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+H+K"	39.970434
"1454696"	239.639517	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H+K"	39.970434
"244390"	920.651026	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+ACN+H"	42.033826
"1219283"	481.342426	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+ACN+H"	42.033826
"1198794"	241.174851	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+ACN+2H"	43.041102
"194947"	923.58836	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+2Na-H"	44.97116
"635599"	1362.89696	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+2Na-H"	44.97116
"1141289"	484.27976	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2Na-H"	44.97116
"183121"	462.297818	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+2Na"	45.978436
"624139"	681.952118	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+2Na"	45.978436
"1121815"	242.643518	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2Na"	45.978436
"1402429"	162.098104	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H+2Na"	46.985712
"1438920"	486.321346	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H+HCOOH"	47.012746
"235432"	467.33084	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+3H2O+2H"	56.04448
"1523243"	500.37339	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+IsoProp+H"	61.06479
"423667"	470.284788	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+Na+K"	61.952376
"785267"	689.939088	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+Na+K"	61.952376
"1680627"	250.630488	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Na+K"	61.952376
"266175"	942.632968	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+ACN+Na"	64.015768
"1238026"	503.324368	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+ACN+Na"	64.015768
"1726189"	503.347893	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+NH4+HCOOH"	64.039293
"1192271"	169.425418	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+3Na"	68.967654
"1663988"	508.303288	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Na+HCOOH"	68.994688
"171941"	955.53624	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+2K-H"	76.91904
"611144"	1394.84484	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+2K-H"	76.91904
"1099454"	516.22764	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2K-H"	76.91904
"156349"	478.271758	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"2M+2K"	77.926316
"596272"	697.926058	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"3M+2K"	77.926316
"1083459"	258.617458	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2K"	77.926316
"1114485"	518.242192	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2K+H"	78.933592
"1349046"	518.329807	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+DMSO+H"	79.021207
"1020493"	522.368976	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2ACN+H"	83.060376
"1538253"	523.362608	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+IsoProp+Na+H"	84.054008
"1003974"	261.688126	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+2ACN+2H"	84.067652
"1601760"	524.277228	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+K+HCOOH"	84.968628
"1429606"	554.308738	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+H+CF3COOH"	115.000138
"1162401"	282.201401	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+3ACN+2H"	125.094202
"1710172"	571.335285	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+NH4+CF3COOH"	132.026685
"1643635"	576.29068	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+Na+CF3COOH"	136.98208
"1584757"	592.26462	"C12271"	"N-Arachidonyl dopamine;Arachidonoyl dopamine;NADA"	"C28H41NO3"	"439.3086"	"M+K+CF3COOH"	152.95602
"805283"	417.3243	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M"	0
"979908"	398.30591	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-H2O-H"	-19.01839
"68150"	277.208924	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M-3H"	-3.021828
"505523"	416.317024	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M-3H"	-3.021828
"893171"	138.100824	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-3H"	-3.021828
"11745"	416.317024	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M-2H"	-2.014552
"451307"	624.979174	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M-2H"	-2.014552
"831299"	207.654874	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-2H"	-2.014552
"92749"	833.641324	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M-H"	-1.007276
"526476"	1250.965624	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M-H"	-1.007276
"904278"	416.317024	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-H"	-1.007276
"54280"	850.667871	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M-2H+NH4"	16.019271
"491656"	1267.992171	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M-2H+NH4"	16.019271
"865324"	433.343571	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-2H+NH4"	16.019271
"33102"	855.623266	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M-2H+Na"	20.974666
"479105"	1272.947566	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M-2H+Na"	20.974666
"849372"	438.298966	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-2H+Na"	20.974666
"1628630"	438.298966	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Na-2H"	20.974666
"106983"	434.305363	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M-H+Cl"	33.962126
"544720"	642.967513	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M-H+Cl"	33.962126
"933861"	225.643213	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-H+Cl"	33.962126
"280073"	869.618002	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+Cl"	34.969402
"670308"	1286.942302	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+Cl"	34.969402
"1282716"	452.293702	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Cl"	34.969402
"26366"	871.597206	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M-2H+K"	36.948606
"467748"	1288.921506	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M-2H+K"	36.948606
"839356"	454.272906	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-2H+K"	36.948606
"1565030"	454.272906	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+K-2H"	36.948606
"951822"	462.322494	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-H+HCOOH"	44.998194
"367850"	879.646801	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+HCOOH-H"	44.998201
"356836"	893.662451	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+Hac-H"	59.013851
"1504210"	476.338151	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Hac-H"	59.013851
"967012"	484.304451	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-H+NaCOOH"	66.980151
"119200"	452.293702	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+2Cl"	69.938804
"558760"	660.955852	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+2Cl"	69.938804
"1029746"	243.631552	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2Cl"	69.938804
"1254064"	496.243185	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Br"	78.918885
"1309586"	498.299172	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Cl+HCOOH"	80.974872
"1320882"	520.281129	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Cl+NaCOOH"	102.956829
"915953"	530.309886	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M-H+CF3COOH"	112.985586
"1292668"	566.286564	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Cl+CF3COOH"	148.962264
"1378486"	382.311624	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H-2H2O"	-35.012676
"1398133"	400.3216	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H-H2O"	-17.0027
"297860"	835.655876	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+H"	1.007276
"689925"	1252.980176	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+H"	1.007276
"1366031"	418.331576	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H"	1.007276
"140986"	418.331576	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+2H"	2.014552
"580665"	626.993726	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+2H"	2.014552
"1048972"	209.669426	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2H"	2.014552
"217483"	279.223476	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+3H"	3.021828
"656809"	418.331576	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+3H"	3.021828
"1176873"	140.115376	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+3H"	3.021828
"435647"	852.682423	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+NH4"	18.033823
"798830"	1270.006723	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+NH4"	18.033823
"1695530"	435.358123	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+NH4"	18.033823
"342354"	426.8448495	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+H+NH4"	19.041099
"736474"	635.5069995	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+H+NH4"	19.041099
"1486407"	218.1826995	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H+NH4"	19.041099
"403993"	857.637818	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+Na"	22.989218
"764989"	1274.962118	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+Na"	22.989218
"1614181"	440.313518	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Na"	22.989218
"320934"	429.322547	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+H+Na"	23.996494
"717730"	637.984697	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+H+Na"	23.996494
"1469365"	220.660397	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H+Na"	23.996494
"1066621"	147.44269	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2H+Na"	25.00377
"1264293"	450.357786	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+CH3OH+H"	33.033486
"379587"	873.611758	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+K"	38.963158
"746054"	1290.936058	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+K"	38.963158
"1554667"	456.287458	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+K"	38.963158
"310753"	437.309517	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+H+K"	39.970434
"700984"	645.971667	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+H+K"	39.970434
"1459543"	228.647367	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H+K"	39.970434
"243405"	876.682426	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+ACN+H"	42.033826
"1218304"	459.358126	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+ACN+H"	42.033826
"1202187"	230.182701	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+ACN+2H"	43.041102
"194327"	879.61976	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+2Na-H"	44.97116
"633889"	1296.94406	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+2Na-H"	44.97116
"1137033"	462.29546	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2Na-H"	44.97116
"178498"	440.313518	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+2Na"	45.978436
"619884"	648.975668	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+2Na"	45.978436
"1129832"	231.651368	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2Na"	45.978436
"1413926"	154.770004	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H+2Na"	46.985712
"1445319"	464.337046	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H+HCOOH"	47.012746
"235422"	445.34654	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+3H2O+2H"	56.04448
"1523892"	478.38909	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+IsoProp+H"	61.06479
"423778"	448.300488	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+Na+K"	61.952376
"785459"	656.962638	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+Na+K"	61.952376
"1681065"	239.638338	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Na+K"	61.952376
"266855"	898.664368	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+ACN+Na"	64.015768
"1236313"	481.340068	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+ACN+Na"	64.015768
"1726906"	481.363593	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+NH4+HCOOH"	64.039293
"1192015"	162.097318	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+3Na"	68.967654
"1665463"	486.318988	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Na+HCOOH"	68.994688
"171687"	911.56764	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+2K-H"	76.91904
"609791"	1328.89194	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+2K-H"	76.91904
"1098555"	494.24334	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2K-H"	76.91904
"152943"	456.287458	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"2M+2K"	77.926316
"594689"	664.949608	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"3M+2K"	77.926316
"1081753"	247.625308	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2K"	77.926316
"1113505"	496.257892	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2K+H"	78.933592
"1348797"	496.345507	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+DMSO+H"	79.021207
"1020852"	500.384676	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2ACN+H"	83.060376
"1537639"	501.378308	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+IsoProp+Na+H"	84.054008
"1002264"	250.695976	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+2ACN+2H"	84.067652
"1600410"	502.292928	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+K+HCOOH"	84.968628
"1423883"	532.324438	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+H+CF3COOH"	115.000138
"1156359"	271.209251	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+3ACN+2H"	125.094202
"1704817"	549.350985	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+NH4+CF3COOH"	132.026685
"1649583"	554.30638	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+Na+CF3COOH"	136.98208
"1584867"	570.28032	"C12272"	"N-Oleoyl dopamine"	"C26H43NO3"	"417.3243"	"M+K+CF3COOH"	152.95602
"805393"	476.1683	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M"	0
"980017"	457.14991	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-H2O-H"	-19.01839
"70447"	316.438257333333	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M-3H"	-3.021828
"508913"	475.161024	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M-3H"	-3.021828
"892188"	157.715490666667	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-3H"	-3.021828
"13678"	475.161024	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M-2H"	-2.014552
"451417"	713.245174	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M-2H"	-2.014552
"831535"	237.076874	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-2H"	-2.014552
"91039"	951.329324	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M-H"	-1.007276
"529502"	1427.497624	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M-H"	-1.007276
"904388"	475.161024	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-H"	-1.007276
"57670"	968.355871	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M-2H+NH4"	16.019271
"492859"	1444.524171	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M-2H+NH4"	16.019271
"871753"	492.187571	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-2H+NH4"	16.019271
"38561"	973.311266	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M-2H+Na"	20.974666
"481404"	1449.479566	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M-2H+Na"	20.974666
"861393"	497.142966	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-2H+Na"	20.974666
"1628739"	497.142966	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Na-2H"	20.974666
"107093"	493.149363	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M-H+Cl"	33.962126
"545559"	731.233513	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M-H+Cl"	33.962126
"940899"	255.065213	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-H+Cl"	33.962126
"279092"	987.306002	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+Cl"	34.969402
"670418"	1463.474302	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+Cl"	34.969402
"1280638"	511.137702	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Cl"	34.969402
"19914"	989.285206	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M-2H+K"	36.948606
"461663"	1465.453506	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M-2H+K"	36.948606
"835089"	513.116906	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-2H+K"	36.948606
"1557482"	513.116906	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+K-2H"	36.948606
"945367"	521.166494	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-H+HCOOH"	44.998194
"362124"	997.334801	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+HCOOH-H"	44.998201
"346374"	1011.350451	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+Hac-H"	59.013851
"1494109"	535.182151	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Hac-H"	59.013851
"962014"	543.148451	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-H+NaCOOH"	66.980151
"114568"	511.137702	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+2Cl"	69.938804
"554497"	749.221852	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+2Cl"	69.938804
"1023660"	273.053552	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2Cl"	69.938804
"1242507"	555.087185	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Br"	78.918885
"1305198"	557.143172	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Cl+HCOOH"	80.974872
"1321357"	579.125129	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Cl+NaCOOH"	102.956829
"911535"	589.153886	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M-H+CF3COOH"	112.985586
"1288882"	625.130564	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Cl+CF3COOH"	148.962264
"1373128"	441.155624	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H-2H2O"	-35.012676
"1397190"	459.1656	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H-H2O"	-17.0027
"297848"	953.343876	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+H"	1.007276
"690035"	1429.512176	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+H"	1.007276
"1366019"	477.175576	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H"	1.007276
"140607"	477.175576	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+2H"	2.014552
"580411"	715.259726	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+2H"	2.014552
"1050176"	239.091426	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2H"	2.014552
"217715"	318.452809333333	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+3H"	3.021828
"657647"	477.175576	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+3H"	3.021828
"1176011"	159.730042666667	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+3H"	3.021828
"432474"	970.370423	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+NH4"	18.033823
"798575"	1446.538723	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+NH4"	18.033823
"1694543"	494.202123	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+NH4"	18.033823
"343920"	485.6888495	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+H+NH4"	19.041099
"735612"	723.7729995	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+H+NH4"	19.041099
"1487610"	247.6046995	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H+NH4"	19.041099
"401916"	975.325818	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+Na"	22.989218
"765097"	1451.494118	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+Na"	22.989218
"1614289"	499.157518	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Na"	22.989218
"324324"	488.166547	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+H+Na"	23.996494
"715656"	726.250697	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+H+Na"	23.996494
"1470573"	250.082397	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H+Na"	23.996494
"1059445"	167.057356666667	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2H+Na"	25.00377
"1257151"	509.201786	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+CH3OH+H"	33.033486
"387349"	991.299758	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+K"	38.963158
"738874"	1467.468058	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+K"	38.963158
"1544937"	515.131458	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+K"	38.963158
"305394"	496.153517	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+H+K"	39.970434
"691494"	734.237667	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+H+K"	39.970434
"1451634"	258.069367	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H+K"	39.970434
"240235"	994.370426	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+ACN+H"	42.033826
"1218414"	518.202126	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+ACN+H"	42.033826
"1201562"	259.604701	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+ACN+2H"	43.041102
"192980"	997.30776	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+2Na-H"	44.97116
"636910"	1473.47606	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+2Na-H"	44.97116
"1137143"	521.13946	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2Na-H"	44.97116
"177514"	499.157518	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+2Na"	45.978436
"622181"	737.241668	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+2Na"	45.978436
"1128968"	261.073368	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2Na"	45.978436
"1412133"	174.384670666667	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H+2Na"	46.985712
"1443894"	523.181046	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H+HCOOH"	47.012746
"234563"	504.19054	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+3H2O+2H"	56.04448
"1523230"	537.23309	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+IsoProp+H"	61.06479
"423645"	507.144488	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+Na+K"	61.952376
"784999"	745.228638	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+Na+K"	61.952376
"1680359"	269.060338	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Na+K"	61.952376
"266397"	1016.352368	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+ACN+Na"	64.015768
"1236423"	540.184068	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+ACN+Na"	64.015768
"1724949"	540.207593	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+NH4+HCOOH"	64.039293
"1192855"	181.711984666667	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+3Na"	68.967654
"1665141"	545.162988	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Na+HCOOH"	68.994688
"171799"	1029.25564	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+2K-H"	76.91904
"609175"	1505.42394	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+2K-H"	76.91904
"1097938"	553.08734	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2K-H"	76.91904
"153782"	515.131458	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"2M+2K"	77.926316
"594800"	753.215608	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"3M+2K"	77.926316
"1082592"	277.047308	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2K"	77.926316
"1113251"	555.101892	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2K+H"	78.933592
"1348178"	555.189507	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+DMSO+H"	79.021207
"1018895"	559.228676	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2ACN+H"	83.060376
"1537749"	560.222308	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+IsoProp+Na+H"	84.054008
"1001280"	280.117976	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+2ACN+2H"	84.067652
"1600157"	561.136928	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+K+HCOOH"	84.968628
"1423993"	591.168438	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+H+CF3COOH"	115.000138
"1153188"	300.631251	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+3ACN+2H"	125.094202
"1703832"	608.194985	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+NH4+CF3COOH"	132.026685
"1647141"	613.15038	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+Na+CF3COOH"	136.98208
"1584977"	629.12432	"C12276"	"Calcium pantothenate"	"(C9H16NO5)2Ca"	"476.1683"	"M+K+CF3COOH"	152.95602
"805503"	73.9681	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M"	0
"985595"	54.94971	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-H2O-H"	-19.01839
"73838"	48.3047906666667	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M-3H"	-3.021828
"514491"	72.960824	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M-3H"	-3.021828
"886827"	23.6487573333333	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-3H"	-3.021828
"5400"	72.960824	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M-2H"	-2.014552
"455380"	109.944874	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M-2H"	-2.014552
"832130"	35.976774	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-2H"	-2.014552
"91509"	146.928924	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M-H"	-1.007276
"529976"	220.897024	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M-H"	-1.007276
"904498"	72.960824	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-H"	-1.007276
"57780"	163.955471	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M-2H+NH4"	16.019271
"498437"	237.923571	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M-2H+NH4"	16.019271
"870770"	89.987371	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-2H+NH4"	16.019271
"37576"	168.910866	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M-2H+Na"	20.974666
"480420"	242.878966	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M-2H+Na"	20.974666
"861138"	94.942766	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-2H+Na"	20.974666
"1628848"	94.942766	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Na-2H"	20.974666
"106474"	90.949163	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M-H+Cl"	33.962126
"541659"	127.933213	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M-H+Cl"	33.962126
"938455"	53.965113	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-H+Cl"	33.962126
"273736"	182.905602	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+Cl"	34.969402
"666158"	256.873702	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+Cl"	34.969402
"1276375"	108.937502	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Cl"	34.969402
"22211"	184.884806	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M-2H+K"	36.948606
"460680"	258.852906	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M-2H+K"	36.948606
"834227"	110.916706	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-2H+K"	36.948606
"1558686"	110.916706	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+K-2H"	36.948606
"945477"	118.966294	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-H+HCOOH"	44.998194
"365152"	192.934401	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+HCOOH-H"	44.998201
"351952"	206.950051	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+Hac-H"	59.013851
"1497502"	132.981951	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Hac-H"	59.013851
"962856"	140.948251	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-H+NaCOOH"	66.980151
"116138"	108.937502	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+2Cl"	69.938804
"552055"	145.921552	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+2Cl"	69.938804
"1023768"	71.953452	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2Cl"	69.938804
"1243711"	152.886985	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Br"	78.918885
"1305795"	154.942972	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Cl+HCOOH"	80.974872
"1320371"	176.924929	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Cl+NaCOOH"	102.956829
"911413"	186.953686	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M-H+CF3COOH"	112.985586
"1290330"	222.930364	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Cl+CF3COOH"	148.962264
"1372146"	38.955424	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H-2H2O"	-35.012676
"1392922"	56.9654	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H-H2O"	-17.0027
"297958"	148.943476	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+H"	1.007276
"690750"	222.911576	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+H"	1.007276
"1366127"	74.975376	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H"	1.007276
"140717"	74.975376	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+2H"	2.014552
"580274"	111.959426	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+2H"	2.014552
"1050286"	37.991326	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2H"	2.014552
"216001"	50.3193426666667	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+3H"	3.021828
"659095"	74.975376	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+3H"	3.021828
"1175877"	25.6633093333333	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+3H"	3.021828
"436960"	165.970023	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+NH4"	18.033823
"799779"	239.938123	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+NH4"	18.033823
"1695381"	92.001923	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+NH4"	18.033823
"345368"	83.4886495	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+H+NH4"	19.041099
"736819"	120.4726995	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+H+NH4"	19.041099
"1489906"	46.5045995	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H+NH4"	19.041099
"402025"	170.925418	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+Na"	22.989218
"766301"	244.893518	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+Na"	22.989218
"1615492"	96.957318	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Na"	22.989218
"325529"	85.966347	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+H+Na"	23.996494
"717951"	122.950397	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+H+Na"	23.996494
"1471776"	48.982297	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H+Na"	23.996494
"1060649"	32.9906233333333	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2H+Na"	25.00377
"1259047"	107.001586	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+CH3OH+H"	33.033486
"384182"	186.899358	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+K"	38.963158
"738738"	260.867458	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+K"	38.963158
"1540046"	112.931258	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+K"	38.963158
"299671"	93.953317	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+H+K"	39.970434
"693183"	130.937367	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+H+K"	39.970434
"1451742"	56.969267	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H+K"	39.970434
"243625"	189.970026	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+ACN+H"	42.033826
"1216335"	116.001926	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+ACN+H"	42.033826
"1200220"	58.504601	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+ACN+2H"	43.041102
"193454"	192.90736	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+2Na-H"	44.97116
"637020"	266.87546	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+2Na-H"	44.97116
"1137253"	118.93926	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2Na-H"	44.97116
"176895"	96.957318	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+2Na"	45.978436
"622291"	133.941368	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+2Na"	45.978436
"1129323"	59.973268	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2Na"	45.978436
"1413825"	40.3179373333333	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H+2Na"	46.985712
"1444971"	120.980846	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H+HCOOH"	47.012746
"234063"	101.99034	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+3H2O+2H"	56.04448
"1523463"	135.03289	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+IsoProp+H"	61.06479
"423633"	104.944288	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+Na+K"	61.952376
"785113"	141.928338	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+Na+K"	61.952376
"1680353"	67.960238	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Na+K"	61.952376
"266712"	211.951968	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+ACN+Na"	64.015768
"1239817"	137.983868	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+ACN+Na"	64.015768
"1726881"	138.007393	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+NH4+HCOOH"	64.039293
"1192964"	47.6452513333333	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+3Na"	68.967654
"1663956"	142.962788	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Na+HCOOH"	68.994688
"171425"	224.85524	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+2K-H"	76.91904
"609648"	298.82334	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+2K-H"	76.91904
"1098169"	150.88714	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2K-H"	76.91904
"153893"	112.931258	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"2M+2K"	77.926316
"595638"	149.915308	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"3M+2K"	77.926316
"1083431"	75.947208	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2K"	77.926316
"1112997"	152.901692	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2K+H"	78.933592
"1349989"	152.989307	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+DMSO+H"	79.021207
"1018277"	157.028476	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2ACN+H"	83.060376
"1537129"	158.022108	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+IsoProp+Na+H"	84.054008
"1003943"	79.017876	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+2ACN+2H"	84.067652
"1600269"	158.936728	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+K+HCOOH"	84.968628
"1425196"	188.968238	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+H+CF3COOH"	115.000138
"1155485"	99.531151	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+3ACN+2H"	125.094202
"1707224"	205.994785	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+NH4+CF3COOH"	132.026685
"1648344"	210.95018	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+Na+CF3COOH"	136.98208
"1585087"	226.92412	"C12277"	"Calcium hydroxide"	"Ca(OH)2"	"73.9681"	"M+K+CF3COOH"	152.95602
"805613"	453.0306	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M"	0
"982425"	434.01221	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-H2O-H"	-19.01839
"72855"	301.013124	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M-3H"	-3.021828
"513508"	452.023324	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M-3H"	-3.021828
"883656"	150.002924	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-3H"	-3.021828
"5510"	452.023324	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M-2H"	-2.014552
"454680"	678.538624	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M-2H"	-2.014552
"829808"	225.508024	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-2H"	-2.014552
"90161"	905.053924	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M-H"	-1.007276
"526806"	1358.084524	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M-H"	-1.007276
"900234"	452.023324	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-H"	-1.007276
"57890"	922.080471	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M-2H+NH4"	16.019271
"499642"	1375.111071	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M-2H+NH4"	16.019271
"869787"	469.049871	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-2H+NH4"	16.019271
"39873"	927.035866	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M-2H+Na"	20.974666
"483082"	1380.066466	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M-2H+Na"	20.974666
"861248"	474.005266	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-2H+Na"	20.974666
"1628958"	474.005266	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Na-2H"	20.974666
"103304"	470.011663	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M-H+Cl"	33.962126
"543956"	696.526963	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M-H+Cl"	33.962126
"939660"	243.496363	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-H+Cl"	33.962126
"277126"	941.030602	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+Cl"	34.969402
"667361"	1394.061202	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+Cl"	34.969402
"1277578"	488.000002	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Cl"	34.969402
"22320"	943.009806	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M-2H+K"	36.948606
"460790"	1396.040406	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M-2H+K"	36.948606
"835312"	489.979206	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-2H+K"	36.948606
"1558068"	489.979206	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+K-2H"	36.948606
"945587"	498.028794	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-H+HCOOH"	44.998194
"362342"	951.059401	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+HCOOH-H"	44.998201
"349874"	965.075051	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+Hac-H"	59.013851
"1494330"	512.044451	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Hac-H"	59.013851
"966247"	520.010751	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-H+NaCOOH"	66.980151
"117340"	488.000002	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+2Cl"	69.938804
"552531"	714.515302	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+2Cl"	69.938804
"1022665"	261.484702	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2Cl"	69.938804
"1242484"	531.949485	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Br"	78.918885
"1305295"	534.005472	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Cl+HCOOH"	80.974872
"1320239"	555.987429	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Cl+NaCOOH"	102.956829
"911906"	566.016186	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M-H+CF3COOH"	112.985586
"1290198"	601.992864	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Cl+CF3COOH"	148.962264
"1373347"	418.017924	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H-2H2O"	-35.012676
"1383427"	436.0279	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H-H2O"	-17.0027
"287251"	907.068476	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+H"	1.007276
"689883"	1360.099076	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+H"	1.007276
"1364779"	454.037876	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H"	1.007276
"141180"	454.037876	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+2H"	2.014552
"579409"	680.553176	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+2H"	2.014552
"1049301"	227.522576	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2H"	2.014552
"215015"	303.027676	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+3H"	3.021828
"659522"	454.037876	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+3H"	3.021828
"1172704"	152.017476	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+3H"	3.021828
"431602"	924.095023	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+NH4"	18.033823
"798795"	1377.125623	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+NH4"	18.033823
"1693304"	471.064423	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+NH4"	18.033823
"344870"	462.5511495	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+H+NH4"	19.041099
"736929"	689.0664495	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+H+NH4"	19.041099
"1490016"	236.0358495	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H+NH4"	19.041099
"402134"	929.050418	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+Na"	22.989218
"766411"	1382.081018	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+Na"	22.989218
"1615601"	476.019818	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Na"	22.989218
"326732"	465.028847	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+H+Na"	23.996494
"719154"	691.544147	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+H+Na"	23.996494
"1472979"	238.513547	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H+Na"	23.996494
"1062946"	159.34479	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2H+Na"	25.00377
"1260250"	486.064086	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+CH3OH+H"	33.033486
"384292"	945.024358	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+K"	38.963158
"738969"	1398.054958	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+K"	38.963158
"1540779"	491.993758	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+K"	38.963158
"299415"	473.015817	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+H+K"	39.970434
"692928"	699.531117	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+H+K"	39.970434
"1450758"	246.500517	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H+K"	39.970434
"241549"	948.095026	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+ACN+H"	42.033826
"1214260"	495.064426	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+ACN+H"	42.033826
"1201422"	248.035851	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+ACN+2H"	43.041102
"194293"	951.03236	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+2Na-H"	44.97116
"634947"	1404.06296	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+2Na-H"	44.97116
"1140635"	498.00176	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2Na-H"	44.97116
"180647"	476.019818	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+2Na"	45.978436
"620207"	702.535118	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+2Na"	45.978436
"1128825"	249.504518	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2Na"	45.978436
"1413613"	166.672104	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H+2Na"	46.985712
"1444959"	500.043346	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H+HCOOH"	47.012746
"234661"	481.05284	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+3H2O+2H"	56.04448
"1523209"	514.09539	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+IsoProp+H"	61.06479
"423741"	484.006788	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+Na+K"	61.952376
"785101"	710.522088	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+Na+K"	61.952376
"1680706"	257.491488	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Na+K"	61.952376
"266252"	970.076968	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+ACN+Na"	64.015768
"1239561"	517.046368	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+ACN+Na"	64.015768
"1726993"	517.069893	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+NH4+HCOOH"	64.039293
"1191252"	173.999418	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+3Na"	68.967654
"1662602"	522.025288	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Na+HCOOH"	68.994688
"168738"	982.98024	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+2K-H"	76.91904
"607935"	1436.01084	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+2K-H"	76.91904
"1096458"	529.94964	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2K-H"	76.91904
"154366"	491.993758	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"2M+2K"	77.926316
"595387"	718.509058	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"3M+2K"	77.926316
"1083056"	265.478458	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2K"	77.926316
"1113717"	531.964192	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2K+H"	78.933592
"1349856"	532.051807	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+DMSO+H"	79.021207
"1018750"	536.090976	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2ACN+H"	83.060376
"1537239"	537.084608	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+IsoProp+Na+H"	84.054008
"1002961"	268.549126	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+2ACN+2H"	84.067652
"1602568"	537.999228	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+K+HCOOH"	84.968628
"1424213"	568.030738	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+H+CF3COOH"	115.000138
"1154502"	289.062401	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+3ACN+2H"	125.094202
"1707334"	585.057285	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+NH4+CF3COOH"	132.026685
"1648454"	590.01268	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+Na+CF3COOH"	136.98208
"1585197"	605.98662	"C12278"	"Copper gluconate"	"(C6H11O7)2Cu"	"453.0306"	"M+K+CF3COOH"	152.95602
"805723"	354.277	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M"	0
"982535"	335.25861	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-H2O-H"	-19.01839
"72965"	235.177390666667	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M-3H"	-3.021828
"510338"	353.269724	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M-3H"	-3.021828
"883766"	117.085057333333	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-3H"	-3.021828
"4527"	353.269724	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M-2H"	-2.014552
"452475"	530.408224	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M-2H"	-2.014552
"831010"	176.131224	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-2H"	-2.014552
"89178"	707.546724	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M-H"	-1.007276
"526916"	1061.823724	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M-H"	-1.007276
"899251"	353.269724	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-H"	-1.007276
"56907"	724.573271	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M-2H+NH4"	16.019271
"500116"	1078.850271	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M-2H+NH4"	16.019271
"869897"	370.296271	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-2H+NH4"	16.019271
"39983"	729.528666	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M-2H+Na"	20.974666
"481733"	1083.805666	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M-2H+Na"	20.974666
"859171"	375.251666	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-2H+Na"	20.974666
"1629797"	375.251666	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Na-2H"	20.974666
"101224"	371.258063	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M-H+Cl"	33.962126
"538598"	548.396563	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M-H+Cl"	33.962126
"936488"	194.119563	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-H+Cl"	33.962126
"273956"	743.523402	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+Cl"	34.969402
"667471"	1097.800402	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+Cl"	34.969402
"1277688"	389.246402	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Cl"	34.969402
"20244"	745.502606	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M-2H+K"	36.948606
"463087"	1099.779606	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M-2H+K"	36.948606
"834693"	391.225606	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-2H+K"	36.948606
"1556718"	391.225606	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+K-2H"	36.948606
"944239"	399.275194	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-H+HCOOH"	44.998194
"362941"	753.552201	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+HCOOH-H"	44.998201
"349984"	767.567851	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+Hac-H"	59.013851
"1496628"	413.290851	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Hac-H"	59.013851
"967450"	421.257151	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-H+NaCOOH"	66.980151
"116357"	389.246402	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+2Cl"	69.938804
"552641"	566.384902	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+2Cl"	69.938804
"1022895"	212.107902	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2Cl"	69.938804
"1243323"	433.195885	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Br"	78.918885
"1306012"	435.251872	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Cl+HCOOH"	80.974872
"1321321"	457.233829	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Cl+NaCOOH"	102.956829
"912135"	467.262586	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M-H+CF3COOH"	112.985586
"1288847"	503.239264	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Cl+CF3COOH"	148.962264
"1369082"	319.264324	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H-2H2O"	-35.012676
"1384145"	337.2743	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H-H2O"	-17.0027
"283712"	709.561276	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+H"	1.007276
"680876"	1063.838276	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+H"	1.007276
"1362694"	355.284276	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H"	1.007276
"138864"	355.284276	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+2H"	2.014552
"578425"	532.422776	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+2H"	2.014552
"1048318"	178.145776	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2H"	2.014552
"216218"	237.191942666667	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+3H"	3.021828
"653595"	355.284276	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+3H"	3.021828
"1171721"	119.099609333333	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+3H"	3.021828
"430618"	726.587823	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+NH4"	18.033823
"797448"	1080.864823	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+NH4"	18.033823
"1690130"	372.310823	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+NH4"	18.033823
"343155"	363.7975495	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+H+NH4"	19.041099
"734851"	540.9360495	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+H+NH4"	19.041099
"1486847"	186.6590495	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H+NH4"	19.041099
"403339"	731.543218	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+Na"	22.989218
"764333"	1085.820218	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+Na"	22.989218
"1610245"	377.266218	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Na"	22.989218
"323561"	366.275247	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+H+Na"	23.996494
"718170"	543.413747	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+H+Na"	23.996494
"1467619"	189.136747	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H+Na"	23.996494
"1058679"	126.426923333333	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2H+Na"	25.00377
"1258165"	387.310486	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+CH3OH+H"	33.033486
"380387"	747.517158	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+K"	38.963158
"739687"	1101.794158	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+K"	38.963158
"1540521"	393.240158	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+K"	38.963158
"298791"	374.262217	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+H+K"	39.970434
"691938"	551.400717	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+H+K"	39.970434
"1447587"	197.123717	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H+K"	39.970434
"239471"	750.587826	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+ACN+H"	42.033826
"1214367"	396.310826	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+ACN+H"	42.033826
"1198251"	198.659051	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+ACN+2H"	43.041102
"193307"	753.52516	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+2Na-H"	44.97116
"633961"	1107.80216	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+2Na-H"	44.97116
"1137465"	399.24816	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2Na-H"	44.97116
"177476"	377.266218	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+2Na"	45.978436
"617399"	554.404718	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+2Na"	45.978436
"1118355"	200.127718	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2Na"	45.978436
"1405166"	133.754237333333	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H+2Na"	46.985712
"1444703"	401.289746	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H+HCOOH"	47.012746
"235254"	382.29924	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+3H2O+2H"	56.04448
"1523636"	415.34179	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+IsoProp+H"	61.06479
"423731"	385.253188	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+Na+K"	61.952376
"785331"	562.391688	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+Na+K"	61.952376
"1680935"	208.114688	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Na+K"	61.952376
"266112"	772.569768	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+ACN+Na"	64.015768
"1240039"	418.292768	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+ACN+Na"	64.015768
"1725277"	418.316293	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+NH4+HCOOH"	64.039293
"1191727"	141.081551333333	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+3Na"	68.967654
"1662712"	423.271688	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Na+HCOOH"	68.994688
"170672"	785.47304	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+2K-H"	76.91904
"610231"	1139.75004	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+2K-H"	76.91904
"1098386"	431.19604	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2K-H"	76.91904
"153747"	393.240158	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"2M+2K"	77.926316
"595619"	570.378658	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"3M+2K"	77.926316
"1082194"	216.101658	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2K"	77.926316
"1113826"	433.210592	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2K+H"	78.933592
"1349237"	433.298207	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+DMSO+H"	79.021207
"1018859"	437.337376	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2ACN+H"	83.060376
"1536256"	438.331008	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+IsoProp+Na+H"	84.054008
"1003072"	219.172326	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+2ACN+2H"	84.067652
"1602314"	439.245628	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+K+HCOOH"	84.968628
"1424323"	469.277138	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+H+CF3COOH"	115.000138
"1154612"	239.685601	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+3ACN+2H"	125.094202
"1707444"	486.303685	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+NH4+CF3COOH"	132.026685
"1648564"	491.25908	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+Na+CF3COOH"	136.98208
"1585307"	507.23302	"C12280"	"Methyl acetyl ricinoleate"	"C21H38O4"	"354.277"	"M+K+CF3COOH"	152.95602
"806926"	182.999	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M"	0
"988966"	163.98061	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-H2O-H"	-19.01839
"77695"	120.992057333333	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M-3H"	-3.021828
"513729"	181.991724	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M-3H"	-3.021828
"889345"	59.9923906666667	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-3H"	-3.021828
"10107"	181.991724	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M-2H"	-2.014552
"451129"	273.491224	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M-2H"	-2.014552
"832215"	90.492224	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-2H"	-2.014552
"90747"	364.990724	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M-H"	-1.007276
"527026"	547.989724	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M-H"	-1.007276
"904828"	181.991724	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-H"	-1.007276
"58478"	382.017271	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M-2H+NH4"	16.019271
"492205"	565.016271	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M-2H+NH4"	16.019271
"870006"	199.018271	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-2H+NH4"	16.019271
"40093"	386.972666	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M-2H+Na"	20.974666
"479656"	569.971666	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M-2H+Na"	20.974666
"861469"	203.973666	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-2H+Na"	20.974666
"1633191"	203.973666	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Na-2H"	20.974666
"103521"	199.980063	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M-H+Cl"	33.962126
"544174"	291.479563	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M-H+Cl"	33.962126
"933323"	108.480563	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-H+Cl"	33.962126
"275159"	400.967402	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+Cl"	34.969402
"669769"	583.966402	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+Cl"	34.969402
"1281079"	217.968402	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Cl"	34.969402
"23636"	402.946606	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M-2H+K"	36.948606
"465384"	585.945606	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M-2H+K"	36.948606
"834437"	219.947606	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-2H+K"	36.948606
"1559017"	219.947606	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+K-2H"	36.948606
"945807"	227.997194	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-H+HCOOH"	44.998194
"366210"	410.996201	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+HCOOH-H"	44.998201
"353374"	425.011851	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+Hac-H"	59.013851
"1498926"	242.012851	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Hac-H"	59.013851
"966466"	249.979151	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-H+NaCOOH"	66.980151
"120843"	217.968402	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+2Cl"	69.938804
"552752"	309.467902	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+2Cl"	69.938804
"1024831"	126.468902	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2Cl"	69.938804
"1244409"	261.917885	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Br"	78.918885
"1307949"	263.973872	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Cl+HCOOH"	80.974872
"1321434"	285.955829	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Cl+NaCOOH"	102.956829
"912128"	295.984586	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M-H+CF3COOH"	112.985586
"1295405"	331.961264	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Cl+CF3COOH"	148.962264
"1371379"	147.986324	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H-2H2O"	-35.012676
"1384866"	165.9963	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H-H2O"	-17.0027
"284553"	367.005276	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+H"	1.007276
"682079"	550.004276	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+H"	1.007276
"1366936"	184.006276	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H"	1.007276
"141378"	184.006276	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+2H"	2.014552
"577439"	275.505776	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+2H"	2.014552
"1052320"	92.506776	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2H"	2.014552
"215235"	123.006609333333	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+3H"	3.021828
"659052"	184.006276	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+3H"	3.021828
"1176205"	62.0069426666667	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+3H"	3.021828
"438383"	384.031823	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+NH4"	18.033823
"800108"	567.030823	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+NH4"	18.033823
"1696324"	201.032823	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+NH4"	18.033823
"344360"	192.5195495	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+H+NH4"	19.041099
"738362"	284.0190495	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+H+NH4"	19.041099
"1484770"	101.0200495	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H+NH4"	19.041099
"403449"	388.987218	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+Na"	22.989218
"764444"	571.986218	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+Na"	22.989218
"1612542"	205.988218	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Na"	22.989218
"326952"	194.997247	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+H+Na"	23.996494
"716094"	286.496747	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+H+Na"	23.996494
"1469915"	103.497747	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H+Na"	23.996494
"1063160"	69.3342566666667	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2H+Na"	25.00377
"1262653"	216.032486	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+CH3OH+H"	33.033486
"380498"	404.961158	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+K"	38.963158
"741136"	587.960158	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+K"	38.963158
"1542093"	221.962158	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+K"	38.963158
"303279"	202.984217	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+H+K"	39.970434
"694606"	294.483717	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+H+K"	39.970434
"1447697"	111.484717	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H+K"	39.970434
"239581"	408.031826	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+ACN+H"	42.033826
"1215571"	225.032826	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+ACN+H"	42.033826
"1201639"	113.020051	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+ACN+2H"	43.041102
"195606"	410.96916	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+2Na-H"	44.97116
"635165"	593.96816	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+2Na-H"	44.97116
"1138667"	227.97016	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2Na-H"	44.97116
"178681"	205.988218	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+2Na"	45.978436
"617512"	297.487718	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+2Na"	45.978436
"1119195"	114.488718	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2Na"	45.978436
"1414118"	76.6615706666667	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H+2Na"	46.985712
"1445585"	230.011746	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H+HCOOH"	47.012746
"235481"	211.02124	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+3H2O+2H"	56.04448
"1523907"	244.06379	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+IsoProp+H"	61.06479
"423848"	213.975188	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+Na+K"	61.952376
"785322"	305.474688	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+Na+K"	61.952376
"1680799"	122.475688	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Na+K"	61.952376
"267112"	430.013768	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+ACN+Na"	64.015768
"1239784"	247.014768	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+ACN+Na"	64.015768
"1726119"	247.038293	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+NH4+HCOOH"	64.039293
"1190381"	83.9888846666667	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+3Na"	68.967654
"1663189"	251.993688	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Na+HCOOH"	68.994688
"167866"	442.91704	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+2K-H"	76.91904
"610704"	625.91604	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+2K-H"	76.91904
"1097037"	259.91804	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2K-H"	76.91904
"155312"	221.962158	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"2M+2K"	77.926316
"591958"	313.461658	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"3M+2K"	77.926316
"1083646"	130.462658	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2K"	77.926316
"1114547"	261.932592	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2K+H"	78.933592
"1344609"	262.020207	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+DMSO+H"	79.021207
"1018970"	266.059376	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2ACN+H"	83.060376
"1536732"	267.053008	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+IsoProp+Na+H"	84.054008
"1003180"	133.533326	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+2ACN+2H"	84.067652
"1600598"	267.967628	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+K+HCOOH"	84.968628
"1425528"	297.999138	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+H+CF3COOH"	115.000138
"1155816"	154.046601	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+3ACN+2H"	125.094202
"1707554"	315.025685	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+NH4+CF3COOH"	132.026685
"1648310"	319.98108	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+Na+CF3COOH"	136.98208
"1585417"	335.95502	"C12283"	"Saccharin"	"C7H5NO3S"	"182.999"	"M+K+CF3COOH"	152.95602
"805944"	204.981	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M"	0
"979477"	185.96261	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-H2O-H"	-19.01839
"69905"	135.646724	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M-3H"	-3.021828
"506186"	203.973724	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M-3H"	-3.021828
"886175"	67.319724	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-3H"	-3.021828
"11314"	203.973724	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M-2H"	-2.014552
"453430"	306.464224	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M-2H"	-2.014552
"830503"	101.483224	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-2H"	-2.014552
"89764"	408.954724	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M-H"	-1.007276
"523857"	613.935724	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M-H"	-1.007276
"903850"	203.973724	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-H"	-1.007276
"56401"	425.981271	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M-2H+NH4"	16.019271
"488060"	630.962271	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M-2H+NH4"	16.019271
"864891"	221.000271	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-2H+NH4"	16.019271
"32553"	430.936666	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M-2H+Na"	20.974666
"472112"	635.917666	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M-2H+Na"	20.974666
"849915"	225.955666	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-2H+Na"	20.974666
"1624918"	225.955666	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Na-2H"	20.974666
"94883"	221.962063	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M-H+Cl"	33.962126
"534847"	324.452563	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M-H+Cl"	33.962126
"933433"	119.471563	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-H+Cl"	33.962126
"271990"	444.931402	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+Cl"	34.969402
"664412"	649.912402	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+Cl"	34.969402
"1276816"	239.950402	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Cl"	34.969402
"19372"	446.910606	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M-2H+K"	36.948606
"460028"	651.891606	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M-2H+K"	36.948606
"834549"	241.929606	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-2H+K"	36.948606
"1555760"	241.929606	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+K-2H"	36.948606
"943367"	249.979194	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-H+HCOOH"	44.998194
"364136"	454.960201	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+HCOOH-H"	44.998201
"347289"	468.975851	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+Hac-H"	59.013851
"1499036"	263.994851	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Hac-H"	59.013851
"965483"	271.961151	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-H+NaCOOH"	66.980151
"110303"	239.950402	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+2Cl"	69.938804
"550103"	342.440902	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+2Cl"	69.938804
"1023846"	137.459902	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2Cl"	69.938804
"1244518"	283.899885	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Br"	78.918885
"1305142"	285.955872	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Cl+HCOOH"	80.974872
"1321545"	307.937829	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Cl+NaCOOH"	102.956829
"911634"	317.966586	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M-H+CF3COOH"	112.985586
"1292235"	353.943264	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Cl+CF3COOH"	148.962264
"1367846"	169.968324	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H-2H2O"	-35.012676
"1392270"	187.9783	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H-H2O"	-17.0027
"297061"	410.969276	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+H"	1.007276
"691368"	615.950276	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+H"	1.007276
"1364008"	205.988276	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H"	1.007276
"138719"	205.988276	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+2H"	2.014552
"578645"	308.478776	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+2H"	2.014552
"1052555"	103.497776	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2H"	2.014552
"218266"	137.661276	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+3H"	3.021828
"658192"	205.988276	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+3H"	3.021828
"1176318"	69.334276	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+3H"	3.021828
"438134"	427.995823	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+NH4"	18.033823
"800586"	632.976823	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+NH4"	18.033823
"1696074"	223.014823	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+NH4"	18.033823
"344108"	214.5015495	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+H+NH4"	19.041099
"731060"	316.9920495	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+H+NH4"	19.041099
"1483784"	112.0110495	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H+NH4"	19.041099
"402466"	432.951218	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+Na"	22.989218
"762368"	637.932218	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+Na"	22.989218
"1610466"	227.970218	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Na"	22.989218
"319409"	216.979247	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+H+Na"	23.996494
"714020"	319.469747	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+H+Na"	23.996494
"1467839"	114.488747	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H+Na"	23.996494
"1055620"	76.66159	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2H+Na"	25.00377
"1259485"	238.014486	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+CH3OH+H"	33.033486
"377816"	448.925158	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+K"	38.963158
"739905"	653.906158	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+K"	38.963158
"1540258"	243.944158	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+K"	38.963158
"300108"	224.966217	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+H+K"	39.970434
"693258"	327.456717	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+H+K"	39.970434
"1449994"	122.475717	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H+K"	39.970434
"240785"	451.995826	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+ACN+H"	42.033826
"1218958"	247.014826	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+ACN+H"	42.033826
"1202843"	124.011051	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+ACN+2H"	43.041102
"194620"	454.93316	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+2Na-H"	44.97116
"633086"	659.91416	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+2Na-H"	44.97116
"1137684"	249.95216	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2Na-H"	44.97116
"177694"	227.970218	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+2Na"	45.978436
"613615"	330.460718	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+2Na"	45.978436
"1117486"	125.479718	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2Na"	45.978436
"1412320"	83.988904	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H+2Na"	46.985712
"1445085"	251.993746	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H+HCOOH"	47.012746
"231578"	233.00324	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+3H2O+2H"	56.04448
"1521826"	266.04579	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+IsoProp+H"	61.06479
"424198"	235.957188	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+Na+K"	61.952376
"785611"	338.447688	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+Na+K"	61.952376
"1680294"	133.466688	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Na+K"	61.952376
"265724"	473.977768	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+ACN+Na"	64.015768
"1236971"	268.996768	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+ACN+Na"	64.015768
"1726590"	269.020293	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+NH4+HCOOH"	64.039293
"1190488"	91.316218	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+3Na"	68.967654
"1663297"	273.975688	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Na+HCOOH"	68.994688
"168702"	486.88104	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+2K-H"	76.91904
"610449"	691.86204	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+2K-H"	76.91904
"1097514"	281.90004	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2K-H"	76.91904
"152145"	243.944158	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"2M+2K"	77.926316
"595351"	346.434658	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"3M+2K"	77.926316
"1076219"	141.453658	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2K"	77.926316
"1103956"	283.914592	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2K+H"	78.933592
"1343621"	284.002207	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+DMSO+H"	79.021207
"1009965"	288.041376	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2ACN+H"	83.060376
"1526997"	289.035008	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+IsoProp+Na+H"	84.054008
"998916"	144.524326	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+2ACN+2H"	84.067652
"1595602"	289.949628	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+K+HCOOH"	84.968628
"1426728"	319.981138	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+H+CF3COOH"	115.000138
"1158111"	165.037601	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+3ACN+2H"	125.094202
"1705478"	337.007685	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+NH4+CF3COOH"	132.026685
"1645502"	341.96308	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+Na+CF3COOH"	136.98208
"1573498"	357.93702	"C12284"	"Saccharin sodium anhydrous"	"C7H4NO3SNa"	"204.981"	"M+K+CF3COOH"	152.95602
"812615"	396.0146	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M"	0
"979587"	376.99621	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-H2O-H"	-19.01839
"67829"	263.002457333333	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M-3H"	-3.021828
"513951"	395.007324	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M-3H"	-3.021828
"889565"	130.997590666667	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-3H"	-3.021828
"11424"	395.007324	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M-2H"	-2.014552
"455493"	593.014624	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M-2H"	-2.014552
"831344"	197.000024	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-2H"	-2.014552
"90239"	791.021924	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M-H"	-1.007276
"524331"	1187.036524	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M-H"	-1.007276
"908334"	395.007324	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-H"	-1.007276
"55052"	808.048471	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M-2H+NH4"	16.019271
"494614"	1204.063071	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M-2H+NH4"	16.019271
"868406"	412.033871	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-2H+NH4"	16.019271
"37039"	813.003866	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M-2H+Na"	20.974666
"474046"	1209.018466	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M-2H+Na"	20.974666
"857682"	416.989266	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-2H+Na"	20.974666
"1622842"	416.989266	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Na-2H"	20.974666
"101556"	412.995663	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M-H+Cl"	33.962126
"542210"	611.002963	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M-H+Cl"	33.962126
"930263"	214.988363	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-H+Cl"	33.962126
"272100"	826.998602	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+Cl"	34.969402
"663429"	1223.013202	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+Cl"	34.969402
"1282395"	430.984002	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Cl"	34.969402
"27140"	828.977806	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M-2H+K"	36.948606
"466703"	1224.992406	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M-2H+K"	36.948606
"837940"	432.963206	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-2H+K"	36.948606
"1557420"	432.963206	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+K-2H"	36.948606
"950406"	441.012794	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-H+HCOOH"	44.998194
"370808"	837.027401	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+HCOOH-H"	44.998201
"352504"	851.043051	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+Hac-H"	59.013851
"1500244"	455.028451	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Hac-H"	59.013851
"968876"	462.994751	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-H+NaCOOH"	66.980151
"111590"	430.984002	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+2Cl"	69.938804
"551881"	628.991302	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+2Cl"	69.938804
"1025054"	232.976702	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2Cl"	69.938804
"1244631"	474.933485	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Br"	78.918885
"1307081"	476.989472	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Cl+HCOOH"	80.974872
"1323484"	498.971429	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Cl+NaCOOH"	102.956829
"913448"	509.000186	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M-H+CF3COOH"	112.985586
"1294531"	544.976864	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Cl+CF3COOH"	148.962264
"1368686"	361.001924	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H-2H2O"	-35.012676
"1383629"	379.0119	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H-H2O"	-17.0027
"290973"	793.036476	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+H"	1.007276
"681209"	1189.051076	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+H"	1.007276
"1360838"	397.021876	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H"	1.007276
"132633"	397.021876	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+2H"	2.014552
"573287"	595.029176	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+2H"	2.014552
"1052178"	199.014576	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2H"	2.014552
"216190"	265.017009333333	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+3H"	3.021828
"657938"	397.021876	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+3H"	3.021828
"1175335"	133.012142666667	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+3H"	3.021828
"438487"	810.063023	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+NH4"	18.033823
"798508"	1206.077623	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+NH4"	18.033823
"1695576"	414.048423	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+NH4"	18.033823
"344216"	405.5351495	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+H+NH4"	19.041099
"731169"	603.5424495	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+H+NH4"	19.041099
"1483894"	207.5278495	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H+NH4"	19.041099
"401481"	815.018418	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+Na"	22.989218
"762476"	1211.033018	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+Na"	22.989218
"1609482"	419.003818	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Na"	22.989218
"321706"	408.012847	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+H+Na"	23.996494
"718503"	606.020147	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+H+Na"	23.996494
"1471229"	210.005547	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H+Na"	23.996494
"1060106"	140.339456666667	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2H+Na"	25.00377
"1263971"	429.048086	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+CH3OH+H"	33.033486
"380728"	830.992358	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+K"	38.963158
"740993"	1227.006958	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+K"	38.963158
"1541588"	434.977758	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+K"	38.963158
"306054"	415.999817	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+H+K"	39.970434
"696653"	614.007117	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+H+K"	39.970434
"1452297"	217.992517	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H+K"	39.970434
"239075"	834.063026	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+ACN+H"	42.033826
"1212511"	438.048426	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+ACN+H"	42.033826
"1200769"	219.527851	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+ACN+2H"	43.041102
"195100"	837.00036	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+2Na-H"	44.97116
"635392"	1233.01496	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+2Na-H"	44.97116
"1134153"	440.98576	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2Na-H"	44.97116
"176717"	419.003818	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+2Na"	45.978436
"616643"	617.011118	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+2Na"	45.978436
"1120878"	220.996518	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2Na"	45.978436
"1408778"	147.666770666667	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H+2Na"	46.985712
"1443090"	443.027346	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H+HCOOH"	47.012746
"232055"	424.03684	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+3H2O+2H"	56.04448
"1522306"	457.07939	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+IsoProp+H"	61.06479
"420170"	426.990788	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+Na+K"	61.952376
"784083"	624.998088	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+Na+K"	61.952376
"1680045"	228.983488	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Na+K"	61.952376
"266568"	856.044968	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+ACN+Na"	64.015768
"1237452"	460.030368	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+ACN+Na"	64.015768
"1724880"	460.053893	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+NH4+HCOOH"	64.039293
"1192423"	154.994084666667	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+3Na"	68.967654
"1663774"	465.009288	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Na+HCOOH"	68.994688
"167720"	868.94824	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+2K-H"	76.91904
"610925"	1264.96284	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+2K-H"	76.91904
"1097626"	472.93364	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2K-H"	76.91904
"152619"	434.977758	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"2M+2K"	77.926316
"596679"	632.985058	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"3M+2K"	77.926316
"1082285"	236.970458	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2K"	77.926316
"1108442"	474.948192	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2K+H"	78.933592
"1343734"	475.035807	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+DMSO+H"	79.021207
"1012263"	479.074976	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2ACN+H"	83.060376
"1528202"	480.068608	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+IsoProp+Na+H"	84.054008
"999026"	240.041126	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+2ACN+2H"	84.067652
"1596806"	480.983228	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+K+HCOOH"	84.968628
"1426838"	511.014738	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+H+CF3COOH"	115.000138
"1157128"	260.554401	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+3ACN+2H"	125.094202
"1706681"	528.041285	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+NH4+CF3COOH"	132.026685
"1645612"	532.99668	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+Na+CF3COOH"	136.98208
"1573608"	548.97062	"C12285"	"Sucralose"	"C12H19Cl3O8"	"396.0146"	"M+K+CF3COOH"	152.95602
"811634"	192.1514	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M"	0
"979698"	173.13301	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-H2O-H"	-19.01839
"67940"	127.093657333333	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M-3H"	-3.021828
"509686"	191.144124	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M-3H"	-3.021828
"889675"	63.0431906666667	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-3H"	-3.021828
"4972"	191.144124	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M-2H"	-2.014552
"454874"	287.219824	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M-2H"	-2.014552
"831085"	95.068424	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-2H"	-2.014552
"85611"	383.295524	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M-H"	-1.007276
"531735"	575.446924	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M-H"	-1.007276
"907349"	191.144124	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-H"	-1.007276
"54071"	400.322071	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M-2H+NH4"	16.019271
"494724"	592.473471	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M-2H+NH4"	16.019271
"874716"	208.170671	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-2H+NH4"	16.019271
"37149"	405.277466	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M-2H+Na"	20.974666
"484365"	597.428866	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M-2H+Na"	20.974666
"857792"	213.126066	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-2H+Na"	20.974666
"1622223"	213.126066	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Na-2H"	20.974666
"102761"	209.132463	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M-H+Cl"	33.962126
"535398"	305.208163	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M-H+Cl"	33.962126
"928187"	113.056763	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-H+Cl"	33.962126
"275493"	419.272202	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+Cl"	34.969402
"673383"	611.423602	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+Cl"	34.969402
"1286151"	227.120802	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Cl"	34.969402
"29317"	421.251406	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M-2H+K"	36.948606
"465719"	613.402806	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M-2H+K"	36.948606
"841333"	229.100006	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-2H+K"	36.948606
"1567009"	229.100006	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+K-2H"	36.948606
"952703"	237.149594	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-H+HCOOH"	44.998194
"373835"	429.301001	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+HCOOH-H"	44.998201
"351522"	443.316651	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+Hac-H"	59.013851
"1500352"	251.165251	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Hac-H"	59.013851
"964615"	259.131551	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-H+NaCOOH"	66.980151
"115711"	227.120802	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+2Cl"	69.938804
"551626"	323.196502	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+2Cl"	69.938804
"1025164"	131.045102	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2Cl"	69.938804
"1245838"	271.070285	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Br"	78.918885
"1310473"	273.126272	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Cl+HCOOH"	80.974872
"1324688"	295.108229	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Cl+NaCOOH"	102.956829
"914285"	305.136986	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M-H+CF3COOH"	112.985586
"1292087"	341.113664	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Cl+CF3COOH"	148.962264
"1377181"	157.138724	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H-2H2O"	-35.012676
"1385928"	175.1487	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H-H2O"	-17.0027
"294364"	385.310076	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+H"	1.007276
"688246"	577.461476	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+H"	1.007276
"1363137"	193.158676	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H"	1.007276
"132744"	193.158676	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+2H"	2.014552
"573397"	289.234376	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+2H"	2.014552
"1049129"	97.082976	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2H"	2.014552
"217031"	129.108209333333	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+3H"	3.021828
"654042"	193.158676	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+3H"	3.021828
"1173263"	65.0577426666667	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+3H"	3.021828
"436532"	402.336623	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+NH4"	18.033823
"797161"	594.488023	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+NH4"	18.033823
"1691673"	210.185223	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+NH4"	18.033823
"339951"	201.6719495	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+H+NH4"	19.041099
"727267"	297.7476495	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+H+NH4"	19.041099
"1480724"	105.5962495	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H+NH4"	19.041099
"396124"	407.292018	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+Na"	22.989218
"761493"	599.443418	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+Na"	22.989218
"1608498"	215.140618	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Na"	22.989218
"322909"	204.149647	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+H+Na"	23.996494
"720436"	300.225347	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+H+Na"	23.996494
"1473526"	108.073947	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H+Na"	23.996494
"1056932"	72.3850566666667	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2H+Na"	25.00377
"1266268"	225.184886	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+CH3OH+H"	33.033486
"377920"	423.265958	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+K"	38.963158
"739036"	615.417358	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+K"	38.963158
"1540604"	231.114558	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+K"	38.963158
"301059"	212.136617	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+H+K"	39.970434
"696032"	308.212317	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+H+K"	39.970434
"1454591"	116.060917	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H+K"	39.970434
"243194"	426.336626	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+ACN+H"	42.033826
"1214810"	234.185226	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+ACN+H"	42.033826
"1197600"	117.596251	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+ACN+2H"	43.041102
"195211"	429.27396	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+2Na-H"	44.97116
"635502"	621.42536	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+2Na-H"	44.97116
"1134630"	237.12256	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2Na-H"	44.97116
"176826"	215.140618	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+2Na"	45.978436
"617482"	311.216318	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+2Na"	45.978436
"1123175"	119.064918	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2Na"	45.978436
"1406701"	79.7123706666667	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H+2Na"	46.985712
"1439915"	239.164146	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H+HCOOH"	47.012746
"234352"	220.17364	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+3H2O+2H"	56.04448
"1523508"	253.21619	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+IsoProp+H"	61.06479
"423561"	223.127588	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+Na+K"	61.952376
"784190"	319.203288	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+Na+K"	61.952376
"1675780"	127.051888	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Na+K"	61.952376
"266801"	448.318568	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+ACN+Na"	64.015768
"1236835"	256.167168	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+ACN+Na"	64.015768
"1724992"	256.190693	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+NH4+HCOOH"	64.039293
"1192414"	87.0396846666667	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+3Na"	68.967654
"1663766"	261.146088	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Na+HCOOH"	68.994688
"169654"	461.22184	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+2K-H"	76.91904
"610306"	653.37324	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+2K-H"	76.91904
"1097007"	269.07044	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2K-H"	76.91904
"155284"	231.114558	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"2M+2K"	77.926316
"596793"	327.190258	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"3M+2K"	77.926316
"1081667"	135.038858	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2K"	77.926316
"1106368"	271.084992	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2K+H"	78.933592
"1342751"	271.172607	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+DMSO+H"	79.021207
"1009094"	275.211776	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2ACN+H"	83.060376
"1529406"	276.205408	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+IsoProp+Na+H"	84.054008
"1003389"	138.109526	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+2ACN+2H"	84.067652
"1594730"	277.120028	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+K+HCOOH"	84.968628
"1425857"	307.151538	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+H+CF3COOH"	115.000138
"1158331"	158.622801	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+3ACN+2H"	125.094202
"1702417"	324.178085	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+NH4+CF3COOH"	132.026685
"1646816"	329.13348	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+Na+CF3COOH"	136.98208
"1573718"	345.10742	"C12286"	"alpha-Ionone"	"C13H20O"	"192.1514"	"M+K+CF3COOH"	152.95602
"806273"	192.1514	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M"	0
"977985"	173.13301	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-H2O-H"	-19.01839
"69143"	127.093657333333	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M-3H"	-3.021828
"506515"	191.144124	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M-3H"	-3.021828
"884317"	63.0431906666667	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-3H"	-3.021828
"5082"	191.144124	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M-2H"	-2.014552
"451203"	287.219824	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M-2H"	-2.014552
"831925"	95.068424	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-2H"	-2.014552
"85721"	383.295524	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M-H"	-1.007276
"533547"	575.446924	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M-H"	-1.007276
"907458"	191.144124	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-H"	-1.007276
"62206"	400.322071	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M-2H+NH4"	16.019271
"500302"	592.473471	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M-2H+NH4"	16.019271
"878474"	208.170671	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-2H+NH4"	16.019271
"39446"	405.277466	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M-2H+Na"	20.974666
"484475"	597.428866	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M-2H+Na"	20.974666
"861182"	213.126066	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-2H+Na"	20.974666
"1628530"	213.126066	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Na-2H"	20.974666
"102872"	209.132463	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M-H+Cl"	33.962126
"536968"	305.208163	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M-H+Cl"	33.962126
"928658"	113.056763	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-H+Cl"	33.962126
"273415"	419.272202	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+Cl"	34.969402
"663650"	611.423602	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+Cl"	34.969402
"1279334"	227.120802	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Cl"	34.969402
"27359"	421.251406	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M-2H+K"	36.948606
"464733"	613.402806	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M-2H+K"	36.948606
"841443"	229.100006	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-2H+K"	36.948606
"1568212"	229.100006	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+K-2H"	36.948606
"953908"	237.149594	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-H+HCOOH"	44.998194
"374309"	429.301001	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+HCOOH-H"	44.998201
"350537"	443.316651	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+Hac-H"	59.013851
"1499369"	251.165251	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Hac-H"	59.013851
"965818"	259.131551	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-H+NaCOOH"	66.980151
"116914"	227.120802	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+2Cl"	69.938804
"551857"	323.196502	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+2Cl"	69.938804
"1025274"	131.045102	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2Cl"	69.938804
"1245947"	271.070285	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Br"	78.918885
"1310582"	273.126272	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Cl+HCOOH"	80.974872
"1326984"	295.108229	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Cl+NaCOOH"	102.956829
"913300"	305.136986	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M-H+CF3COOH"	112.985586
"1292562"	341.113664	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Cl+CF3COOH"	148.962264
"1374011"	157.138724	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H-2H2O"	-35.012676
"1389317"	175.1487	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H-H2O"	-17.0027
"289006"	385.310076	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+H"	1.007276
"687992"	577.461476	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+H"	1.007276
"1357779"	193.158676	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H"	1.007276
"132854"	193.158676	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+2H"	2.014552
"573507"	289.234376	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+2H"	2.014552
"1047414"	97.082976	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2H"	2.014552
"215316"	129.108209333333	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+3H"	3.021828
"655604"	193.158676	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+3H"	3.021828
"1176288"	65.0577426666667	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+3H"	3.021828
"438343"	402.336623	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+NH4"	18.033823
"798364"	594.488023	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+NH4"	18.033823
"1689596"	210.185223	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+NH4"	18.033823
"341154"	201.6719495	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+H+NH4"	19.041099
"726282"	297.7476495	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+H+NH4"	19.041099
"1478399"	105.5962495	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H+NH4"	19.041099
"397327"	407.292018	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+Na"	22.989218
"761603"	599.443418	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+Na"	22.989218
"1608608"	215.140618	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Na"	22.989218
"323019"	204.149647	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+H+Na"	23.996494
"719817"	300.225347	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+H+Na"	23.996494
"1473636"	108.073947	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H+Na"	23.996494
"1061417"	72.3850566666667	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2H+Na"	25.00377
"1265285"	225.184886	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+CH3OH+H"	33.033486
"380216"	423.265958	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+K"	38.963158
"740847"	615.417358	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+K"	38.963158
"1546546"	231.114558	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+K"	38.963158
"305543"	212.136617	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+H+K"	39.970434
"695778"	308.212317	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+H+K"	39.970434
"1456889"	116.060917	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H+K"	39.970434
"248407"	426.336626	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+ACN+H"	42.033826
"1223667"	234.185226	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+ACN+H"	42.033826
"1207553"	117.596251	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+ACN+2H"	43.041102
"200425"	429.27396	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+2Na-H"	44.97116
"636705"	621.42536	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+2Na-H"	44.97116
"1139113"	237.12256	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2Na-H"	44.97116
"177668"	215.140618	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+2Na"	45.978436
"619779"	311.216318	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+2Na"	45.978436
"1123285"	119.064918	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2Na"	45.978436
"1408997"	79.7123706666667	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H+2Na"	46.985712
"1440389"	239.164146	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H+HCOOH"	47.012746
"229724"	220.17364	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+3H2O+2H"	56.04448
"1521430"	253.21619	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+IsoProp+H"	61.06479
"422576"	223.127588	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+Na+K"	61.952376
"783570"	319.203288	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+Na+K"	61.952376
"1677715"	127.051888	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Na+K"	61.952376
"264233"	448.318568	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+ACN+Na"	64.015768
"1235123"	256.167168	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+ACN+Na"	64.015768
"1724008"	256.190693	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+NH4+HCOOH"	64.039293
"1191916"	87.0396846666667	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+3Na"	68.967654
"1662903"	261.146088	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Na+HCOOH"	68.994688
"170857"	461.22184	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+2K-H"	76.91904
"611873"	653.37324	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+2K-H"	76.91904
"1099307"	269.07044	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2K-H"	76.91904
"156488"	231.114558	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"2M+2K"	77.926316
"596051"	327.190258	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"3M+2K"	77.926316
"1082628"	135.038858	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2K"	77.926316
"1106477"	271.084992	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2K+H"	78.933592
"1343956"	271.172607	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+DMSO+H"	79.021207
"1010296"	275.211776	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2ACN+H"	83.060376
"1533889"	276.205408	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+IsoProp+Na+H"	84.054008
"999246"	138.109526	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+2ACN+2H"	84.067652
"1597027"	277.120028	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+K+HCOOH"	84.968628
"1425967"	307.151538	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+H+CF3COOH"	115.000138
"1157349"	158.622801	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+3ACN+2H"	125.094202
"1702527"	324.178085	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+NH4+CF3COOH"	132.026685
"1646926"	329.13348	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+Na+CF3COOH"	136.98208
"1573828"	345.10742	"C12287"	"beta-Ionone;trans-beta-Ionone"	"C13H20O"	"192.1514"	"M+K+CF3COOH"	152.95602
"806383"	202.1358	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M"	0
"975907"	183.11741	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-H2O-H"	-19.01839
"63785"	133.749924	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M-3H"	-3.021828
"503345"	201.128524	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M-3H"	-3.021828
"884427"	66.371324	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-3H"	-3.021828
"5192"	201.128524	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M-2H"	-2.014552
"451313"	302.196424	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M-2H"	-2.014552
"832158"	100.060624	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-2H"	-2.014552
"85831"	403.264324	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M-H"	-1.007276
"527579"	605.400124	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M-H"	-1.007276
"907568"	201.128524	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-H"	-1.007276
"57572"	420.290871	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M-2H+NH4"	16.019271
"491664"	622.426671	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M-2H+NH4"	16.019271
"874936"	218.155071	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-2H+NH4"	16.019271
"36276"	425.246266	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M-2H+Na"	20.974666
"482398"	627.382066	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M-2H+Na"	20.974666
"858012"	223.110466	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-2H+Na"	20.974666
"1628640"	223.110466	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Na-2H"	20.974666
"102982"	219.116863	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M-H+Cl"	33.962126
"537078"	320.184763	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M-H+Cl"	33.962126
"928770"	118.048963	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-H+Cl"	33.962126
"270245"	439.241002	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+Cl"	34.969402
"663760"	641.376802	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+Cl"	34.969402
"1279444"	237.105202	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Cl"	34.969402
"27469"	441.220206	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M-2H+K"	36.948606
"463750"	643.356006	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M-2H+K"	36.948606
"836085"	239.084406	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-2H+K"	36.948606
"1568322"	239.084406	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+K-2H"	36.948606
"952923"	247.133994	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-H+HCOOH"	44.998194
"368951"	449.269801	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+HCOOH-H"	44.998201
"349554"	463.285451	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+Hac-H"	59.013851
"1498385"	261.149651	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Hac-H"	59.013851
"965928"	269.115951	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-H+NaCOOH"	66.980151
"117024"	237.105202	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+2Cl"	69.938804
"551967"	338.173102	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+2Cl"	69.938804
"1025384"	136.037302	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2Cl"	69.938804
"1247151"	281.054685	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Br"	78.918885
"1311786"	283.110672	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Cl+HCOOH"	80.974872
"1328188"	305.092629	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Cl+NaCOOH"	102.956829
"913776"	315.121386	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M-H+CF3COOH"	112.985586
"1292672"	351.098064	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Cl+CF3COOH"	148.962264
"1374121"	167.123124	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H-2H2O"	-35.012676
"1388334"	185.1331	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H-H2O"	-17.0027
"288023"	405.278876	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+H"	1.007276
"678260"	607.414676	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+H"	1.007276
"1355699"	203.143076	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H"	1.007276
"130776"	203.143076	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+2H"	2.014552
"571430"	304.210976	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+2H"	2.014552
"1044970"	102.075176	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2H"	2.014552
"215787"	135.764476	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+3H"	3.021828
"655348"	203.143076	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+3H"	3.021828
"1173843"	68.385876	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+3H"	3.021828
"435659"	422.305423	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+NH4"	18.033823
"797018"	624.441223	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+NH4"	18.033823
"1691889"	220.169623	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+NH4"	18.033823
"337982"	211.6563495	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+H+NH4"	19.041099
"725662"	312.7242495	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+H+NH4"	19.041099
"1478386"	110.5884495	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H+NH4"	19.041099
"394516"	427.260818	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+Na"	22.989218
"754541"	629.396618	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+Na"	22.989218
"1604343"	225.125018	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Na"	22.989218
"318755"	214.134047	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+H+Na"	23.996494
"716647"	315.201947	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+H+Na"	23.996494
"1470466"	113.066147	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H+Na"	23.996494
"1062621"	75.71319	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2H+Na"	25.00377
"1264302"	235.169286	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+CH3OH+H"	33.033486
"379598"	443.234758	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+K"	38.963158
"741321"	645.370558	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+K"	38.963158
"1543376"	241.098958	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+K"	38.963158
"302737"	222.121017	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+H+K"	39.970434
"694794"	323.188917	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+H+K"	39.970434
"1454812"	121.053117	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H+K"	39.970434
"247787"	446.305426	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+ACN+H"	42.033826
"1222683"	244.169626	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+ACN+H"	42.033826
"1206565"	122.588451	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+ACN+2H"	43.041102
"201991"	449.24276	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+2Na-H"	44.97116
"632441"	651.37856	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+2Na-H"	44.97116
"1140321"	247.10696	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2Na-H"	44.97116
"176683"	225.125018	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+2Na"	45.978436
"619889"	326.192918	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+2Na"	45.978436
"1126675"	124.057118	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2Na"	45.978436
"1406921"	83.040504	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H+2Na"	46.985712
"1441227"	249.148546	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H+HCOOH"	47.012746
"232383"	230.15804	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+3H2O+2H"	56.04448
"1522267"	263.20059	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+IsoProp+H"	61.06479
"421587"	233.111988	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+Na+K"	61.952376
"783316"	334.179888	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+Na+K"	61.952376
"1679280"	132.044088	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Na+K"	61.952376
"263978"	468.287368	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+ACN+Na"	64.015768
"1237418"	266.151568	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+ACN+Na"	64.015768
"1725212"	266.175093	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+NH4+HCOOH"	64.039293
"1192755"	90.367818	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+3Na"	68.967654
"1664106"	271.130488	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Na+HCOOH"	68.994688
"170967"	481.19064	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+2K-H"	76.91904
"611983"	683.32644	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+2K-H"	76.91904
"1098930"	279.05484	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2K-H"	76.91904
"155503"	241.098958	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"2M+2K"	77.926316
"594337"	342.166858	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"3M+2K"	77.926316
"1082983"	140.031058	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2K"	77.926316
"1107682"	281.069392	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2K+H"	78.933592
"1346253"	281.157007	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+DMSO+H"	79.021207
"1010406"	285.196176	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2ACN+H"	83.060376
"1531815"	286.189808	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+IsoProp+Na+H"	84.054008
"998263"	143.101726	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+2ACN+2H"	84.067652
"1594953"	287.104428	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+K+HCOOH"	84.968628
"1426077"	317.135938	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+H+CF3COOH"	115.000138
"1156367"	163.615001	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+3ACN+2H"	125.094202
"1700451"	334.162485	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+NH4+CF3COOH"	132.026685
"1638288"	339.11788	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+Na+CF3COOH"	136.98208
"1573938"	355.09182	"C12288"	"alpha-Amylcinnamaldehyde;alpha-Pentylcinnamaldehyde"	"C14H18O"	"202.1358"	"M+K+CF3COOH"	152.95602
"806493"	172.1463	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M"	0
"976746"	153.12791	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-H2O-H"	-19.01839
"66081"	113.756924	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M-3H"	-3.021828
"504548"	171.139024	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M-3H"	-3.021828
"884537"	56.374824	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-3H"	-3.021828
"5302"	171.139024	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M-2H"	-2.014552
"451423"	257.212174	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M-2H"	-2.014552
"831661"	85.065874	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-2H"	-2.014552
"83754"	343.285324	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M-H"	-1.007276
"526595"	515.431624	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M-H"	-1.007276
"898929"	171.139024	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-H"	-1.007276
"54401"	360.311871	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M-2H+NH4"	16.019271
"491045"	532.458171	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M-2H+NH4"	16.019271
"872858"	188.165571	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-2H+NH4"	16.019271
"37114"	365.267266	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M-2H+Na"	20.974666
"482508"	537.413566	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M-2H+Na"	20.974666
"854841"	193.120966	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-2H+Na"	20.974666
"1628750"	193.120966	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Na-2H"	20.974666
"104186"	189.127363	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M-H+Cl"	33.962126
"534676"	275.200513	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M-H+Cl"	33.962126
"928880"	103.054213	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-H+Cl"	33.962126
"273635"	379.262002	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+Cl"	34.969402
"667152"	551.408302	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+Cl"	34.969402
"1282836"	207.115702	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Cl"	34.969402
"27579"	381.241206	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M-2H+K"	36.948606
"464953"	553.387506	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M-2H+K"	36.948606
"839476"	209.094906	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-2H+K"	36.948606
"1567338"	209.094906	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+K-2H"	36.948606
"949753"	217.144494	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-H+HCOOH"	44.998194
"369061"	389.290801	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+HCOOH-H"	44.998201
"355130"	403.306451	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+Hac-H"	59.013851
"1502869"	231.160151	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Hac-H"	59.013851
"960571"	239.126451	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-H+NaCOOH"	66.980151
"117134"	207.115702	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+2Cl"	69.938804
"552686"	293.188852	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+2Cl"	69.938804
"1023307"	121.042552	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2Cl"	69.938804
"1248354"	251.065185	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Br"	78.918885
"1311898"	253.121172	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Cl+HCOOH"	80.974872
"1328298"	275.103129	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Cl+NaCOOH"	102.956829
"912428"	285.131886	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M-H+CF3COOH"	112.985586
"1291689"	321.108564	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Cl+CF3COOH"	148.962264
"1372044"	137.133624	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H-2H2O"	-35.012676
"1389537"	155.1436	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H-H2O"	-17.0027
"287039"	345.299876	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+H"	1.007276
"678369"	517.446176	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+H"	1.007276
"1357995"	173.153576	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H"	1.007276
"133072"	173.153576	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+2H"	2.014552
"572633"	259.226726	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+2H"	2.014552
"1040342"	87.080426	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2H"	2.014552
"211523"	115.771476	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+3H"	3.021828
"655457"	173.153576	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+3H"	3.021828
"1173953"	58.389376	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+3H"	3.021828
"435404"	362.326423	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+NH4"	18.033823
"798222"	534.472723	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+NH4"	18.033823
"1691999"	190.180123	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+NH4"	18.033823
"342465"	181.6668495	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+H+NH4"	19.041099
"723952"	267.7399995	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+H+NH4"	19.041099
"1478859"	95.5936995	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H+NH4"	19.041099
"393898"	367.281818	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+Na"	22.989218
"754321"	539.428118	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+Na"	22.989218
"1604453"	195.135518	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Na"	22.989218
"318865"	184.144547	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+H+Na"	23.996494
"716757"	270.217697	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+H+Na"	23.996494
"1469483"	98.071397	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H+Na"	23.996494
"1059449"	65.71669	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2H+Na"	25.00377
"1263319"	205.179786	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+CH3OH+H"	33.033486
"378980"	383.255758	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+K"	38.963158
"740704"	555.402058	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+K"	38.963158
"1543486"	211.109458	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+K"	38.963158
"303212"	192.131517	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+H+K"	39.970434
"695634"	278.204667	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+H+K"	39.970434
"1456016"	106.058367	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H+K"	39.970434
"248990"	386.326426	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+ACN+H"	42.033826
"1223158"	214.180126	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+ACN+H"	42.033826
"1207648"	107.593701	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+ACN+2H"	43.041102
"201374"	389.26376	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+2Na-H"	44.97116
"632916"	561.41006	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+2Na-H"	44.97116
"1140430"	217.11746	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2Na-H"	44.97116
"182627"	195.135518	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+2Na"	45.978436
"618905"	281.208668	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+2Na"	45.978436
"1128973"	109.062368	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2Na"	45.978436
"1409583"	73.044004	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H+2Na"	46.985712
"1440609"	219.159046	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H+HCOOH"	47.012746
"232128"	200.16854	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+3H2O+2H"	56.04448
"1521284"	233.21109	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+IsoProp+H"	61.06479
"420241"	203.122488	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+Na+K"	61.952376
"782693"	289.195638	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+Na+K"	61.952376
"1678297"	117.049338	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Na+K"	61.952376
"264453"	408.308368	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+ACN+Na"	64.015768
"1239714"	236.162068	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+ACN+Na"	64.015768
"1724228"	236.185593	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+NH4+HCOOH"	64.039293
"1191404"	80.371318	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+3Na"	68.967654
"1661664"	241.140988	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Na+HCOOH"	68.994688
"169617"	421.21164	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+2K-H"	76.91904
"611364"	593.35794	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+2K-H"	76.91904
"1095875"	249.06534	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2K-H"	76.91904
"155610"	211.109458	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"2M+2K"	77.926316
"596023"	297.182608	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"3M+2K"	77.926316
"1082242"	125.036308	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2K"	77.926316
"1111072"	251.079892	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2K+H"	78.933592
"1346364"	251.167507	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+DMSO+H"	79.021207
"1011609"	255.206676	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2ACN+H"	83.060376
"1534112"	256.200308	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+IsoProp+Na+H"	84.054008
"1003476"	128.106976	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+2ACN+2H"	84.067652
"1595063"	257.114928	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+K+HCOOH"	84.968628
"1425095"	287.146438	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+H+CF3COOH"	115.000138
"1157570"	148.620251	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+3ACN+2H"	125.094202
"1701654"	304.172985	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+NH4+CF3COOH"	132.026685
"1638398"	309.12838	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+Na+CF3COOH"	136.98208
"1574048"	325.10232	"C12289"	"Isoamyl isovalerate"	"C10H20O2"	"172.1463"	"M+K+CF3COOH"	152.95602
"806603"	130.0994	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M"	0
"976858"	111.08101	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-H2O-H"	-19.01839
"66555"	85.7256573333333	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M-3H"	-3.021828
"505750"	129.092124	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M-3H"	-3.021828
"885740"	42.3591906666667	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-3H"	-3.021828
"5412"	129.092124	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M-2H"	-2.014552
"452626"	194.141824	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M-2H"	-2.014552
"831772"	64.042424	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-2H"	-2.014552
"86051"	259.191524	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M-H"	-1.007276
"525611"	389.290924	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M-H"	-1.007276
"897945"	129.092124	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-H"	-1.007276
"56698"	276.218071	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M-2H+NH4"	16.019271
"491883"	406.317471	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M-2H+NH4"	16.019271
"871875"	146.118671	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-2H+NH4"	16.019271
"43057"	281.173466	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M-2H+Na"	20.974666
"482254"	411.272866	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M-2H+Na"	20.974666
"854951"	151.074066	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-2H+Na"	20.974666
"1622664"	151.074066	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Na-2H"	20.974666
"98829"	147.080463	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M-H+Cl"	33.962126
"539484"	212.130163	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M-H+Cl"	33.962126
"931175"	82.030763	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-H+Cl"	33.962126
"273746"	295.168202	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+Cl"	34.969402
"666169"	425.267602	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+Cl"	34.969402
"1282946"	165.068802	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Cl"	34.969402
"27689"	297.147406	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M-2H+K"	36.948606
"463970"	427.246806	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M-2H+K"	36.948606
"841773"	167.048006	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-2H+K"	36.948606
"1563074"	167.048006	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+K-2H"	36.948606
"949864"	175.097594	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-H+HCOOH"	44.998194
"366985"	305.197001	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+HCOOH-H"	44.998201
"347951"	319.212651	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+Hac-H"	59.013851
"1497876"	189.113251	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Hac-H"	59.013851
"960316"	197.079551	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-H+NaCOOH"	66.980151
"117244"	165.068802	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+2Cl"	69.938804
"553527"	230.118502	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+2Cl"	69.938804
"1026699"	100.019102	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2Cl"	69.938804
"1247371"	209.018285	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Br"	78.918885
"1315289"	211.074272	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Cl+HCOOH"	80.974872
"1327315"	233.056229	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Cl+NaCOOH"	102.956829
"912538"	243.084986	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M-H+CF3COOH"	112.985586
"1291799"	279.061664	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Cl+CF3COOH"	148.962264
"1371061"	95.086724	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H-2H2O"	-35.012676
"1389647"	113.0967	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H-H2O"	-17.0027
"286055"	261.206076	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+H"	1.007276
"677750"	391.305476	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+H"	1.007276
"1355919"	131.106676	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H"	1.007276
"133182"	131.106676	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+2H"	2.014552
"571650"	196.156376	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+2H"	2.014552
"1044825"	66.056976	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2H"	2.014552
"214913"	87.7402093333333	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+3H"	3.021828
"657754"	131.106676	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+3H"	3.021828
"1174791"	44.3737426666667	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+3H"	3.021828
"435878"	278.232623	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+NH4"	18.033823
"799786"	408.332023	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+NH4"	18.033823
"1692109"	148.133223	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+NH4"	18.033823
"342941"	139.6199495	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+H+NH4"	19.041099
"724425"	204.6696495	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+H+NH4"	19.041099
"1478243"	74.5702495	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H+NH4"	19.041099
"394374"	283.188018	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+Na"	22.989218
"756465"	413.287418	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+Na"	22.989218
"1606750"	153.088618	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Na"	22.989218
"318975"	142.097647	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+H+Na"	23.996494
"713588"	207.147347	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+H+Na"	23.996494
"1468500"	77.047947	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H+Na"	23.996494
"1056280"	51.7010566666667	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2H+Na"	25.00377
"1262332"	163.132886	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+CH3OH+H"	33.033486
"378118"	299.161958	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+K"	38.963158
"738746"	429.261358	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+K"	38.963158
"1541042"	169.062558	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+K"	38.963158
"301499"	150.084617	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+H+K"	39.970434
"693558"	215.134317	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+H+K"	39.970434
"1451753"	85.034917	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H+K"	39.970434
"243634"	302.232626	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+ACN+H"	42.033826
"1220717"	172.133226	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+ACN+H"	42.033826
"1208123"	86.570251	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+ACN+2H"	43.041102
"200754"	305.16996	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+2Na-H"	44.97116
"633026"	435.26936	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+2Na-H"	44.97116
"1142363"	175.07056	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2Na-H"	44.97116
"177633"	153.088618	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+2Na"	45.978436
"620107"	218.138318	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+2Na"	45.978436
"1123614"	88.038918	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2Na"	45.978436
"1410421"	59.0283706666667	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H+2Na"	46.985712
"1442545"	177.112146	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H+HCOOH"	47.012746
"231144"	158.12164	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+3H2O+2H"	56.04448
"1520303"	191.16419	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+IsoProp+H"	61.06479
"419625"	161.075588	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+Na+K"	61.952376
"783172"	226.125288	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+Na+K"	61.952376
"1679138"	96.025888	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Na+K"	61.952376
"265658"	324.214568	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+ACN+Na"	64.015768
"1239340"	194.115168	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+ACN+Na"	64.015768
"1723245"	194.138693	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+NH4+HCOOH"	64.039293
"1191636"	66.3556846666667	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+3Na"	68.967654
"1661775"	199.094088	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Na+HCOOH"	68.994688
"169361"	337.11784	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+2K-H"	76.91904
"610379"	467.21724	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+2K-H"	76.91904
"1095985"	207.01844	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2K-H"	76.91904
"155963"	169.062558	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"2M+2K"	77.926316
"594551"	234.112258	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"3M+2K"	77.926316
"1083322"	104.012858	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2K"	77.926316
"1107902"	209.032992	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2K+H"	78.933592
"1349755"	209.120607	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+DMSO+H"	79.021207
"1015000"	213.159776	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2ACN+H"	83.060376
"1536410"	214.153408	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+IsoProp+Na+H"	84.054008
"1004801"	107.083526	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+2ACN+2H"	84.067652
"1599546"	215.068028	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+K+HCOOH"	84.968628
"1423016"	245.099538	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+H+CF3COOH"	115.000138
"1154399"	127.596801	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+3ACN+2H"	125.094202
"1700671"	262.126085	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+NH4+CF3COOH"	132.026685
"1637414"	267.08148	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+Na+CF3COOH"	136.98208
"1573065"	283.05542	"C12290"	"Ethyl isovalerate"	"C7H14O2"	"130.0994"	"M+K+CF3COOH"	152.95602
"809993"	172.1463	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M"	0
"980244"	153.12791	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-H2O-H"	-19.01839
"69582"	113.756924	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M-3H"	-3.021828
"511328"	171.139024	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M-3H"	-3.021828
"890224"	56.374824	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-3H"	-3.021828
"5522"	171.139024	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M-2H"	-2.014552
"452372"	257.212174	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M-2H"	-2.014552
"832001"	85.065874	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-2H"	-2.014552
"82881"	343.285324	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M-H"	-1.007276
"523535"	515.431624	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M-H"	-1.007276
"898782"	171.139024	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-H"	-1.007276
"50240"	360.311871	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M-2H+NH4"	16.019271
"491993"	532.458171	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M-2H+NH4"	16.019271
"871985"	188.165571	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-2H+NH4"	16.019271
"43533"	365.267266	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M-2H+Na"	20.974666
"482728"	537.413566	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M-2H+Na"	20.974666
"855061"	193.120966	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-2H+Na"	20.974666
"1622774"	193.120966	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Na-2H"	20.974666
"101125"	189.127363	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M-H+Cl"	33.962126
"540688"	275.200513	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M-H+Cl"	33.962126
"935294"	103.054213	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-H+Cl"	33.962126
"269842"	379.262002	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+Cl"	34.969402
"666279"	551.408302	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+Cl"	34.969402
"1284515"	207.115702	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Cl"	34.969402
"21238"	381.241206	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M-2H+K"	36.948606
"462987"	553.387506	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M-2H+K"	36.948606
"840790"	209.094906	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-2H+K"	36.948606
"1562091"	209.094906	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+K-2H"	36.948606
"952163"	217.144494	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-H+HCOOH"	44.998194
"369283"	389.290801	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+HCOOH-H"	44.998201
"356445"	403.306451	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+Hac-H"	59.013851
"1501996"	231.160151	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Hac-H"	59.013851
"966258"	239.126451	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-H+NaCOOH"	66.980151
"119541"	207.115702	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+2Cl"	69.938804
"553638"	293.188852	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+2Cl"	69.938804
"1025716"	121.042552	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2Cl"	69.938804
"1247481"	251.065185	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Br"	78.918885
"1312118"	253.121172	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Cl+HCOOH"	80.974872
"1325237"	275.103129	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Cl+NaCOOH"	102.956829
"915200"	285.131886	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M-H+CF3COOH"	112.985586
"1290814"	321.108564	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Cl+CF3COOH"	148.962264
"1371171"	137.133624	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H-2H2O"	-35.012676
"1389758"	155.1436	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H-H2O"	-17.0027
"286165"	345.299876	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+H"	1.007276
"679679"	517.446176	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+H"	1.007276
"1356029"	173.153576	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H"	1.007276
"128916"	173.153576	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+2H"	2.014552
"573947"	259.226726	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+2H"	2.014552
"1042749"	87.080426	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2H"	2.014552
"217576"	115.771476	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+3H"	3.021828
"655679"	173.153576	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+3H"	3.021828
"1174901"	58.389376	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+3H"	3.021828
"438175"	362.326423	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+NH4"	18.033823
"798073"	534.472723	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+NH4"	18.033823
"1691126"	190.180123	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+NH4"	18.033823
"344508"	181.6668495	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+H+NH4"	19.041099
"725630"	267.7399995	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+H+NH4"	19.041099
"1479447"	95.5936995	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H+NH4"	19.041099
"398858"	367.281818	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+Na"	22.989218
"756574"	539.428118	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+Na"	22.989218
"1609046"	195.135518	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Na"	22.989218
"319085"	184.144547	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+H+Na"	23.996494
"716977"	270.217697	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+H+Na"	23.996494
"1468610"	98.071397	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H+Na"	23.996494
"1061857"	65.71669	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2H+Na"	25.00377
"1261713"	205.179786	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+CH3OH+H"	33.033486
"381020"	383.255758	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+K"	38.963158
"739827"	555.402058	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+K"	38.963158
"1541151"	211.109458	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+K"	38.963158
"302703"	192.131517	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+H+K"	39.970434
"695856"	278.204667	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+H+K"	39.970434
"1454050"	106.058367	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H+K"	39.970434
"245930"	386.326426	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+ACN+H"	42.033826
"1219733"	214.180126	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+ACN+H"	42.033826
"1208355"	107.593701	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+ACN+2H"	43.041102
"201593"	389.26376	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+2Na-H"	44.97116
"636053"	561.41006	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+2Na-H"	44.97116
"1142473"	217.11746	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2Na-H"	44.97116
"187711"	195.135518	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+2Na"	45.978436
"623134"	281.208668	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+2Na"	45.978436
"1123724"	109.062368	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2Na"	45.978436
"1410531"	73.044004	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H+2Na"	46.985712
"1442656"	219.159046	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H+HCOOH"	47.012746
"232353"	200.16854	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+3H2O+2H"	56.04448
"1521870"	233.21109	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+IsoProp+H"	61.06479
"422284"	203.122488	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+Na+K"	61.952376
"783766"	289.195638	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+Na+K"	61.952376
"1677788"	117.049338	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Na+K"	61.952376
"263944"	408.308368	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+ACN+Na"	64.015768
"1240303"	236.162068	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+ACN+Na"	64.015768
"1722264"	236.185593	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+NH4+HCOOH"	64.039293
"1188710"	80.371318	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+3Na"	68.967654
"1661885"	241.140988	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Na+HCOOH"	68.994688
"170565"	421.21164	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+2K-H"	76.91904
"612070"	593.35794	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+2K-H"	76.91904
"1096095"	249.06534	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2K-H"	76.91904
"154007"	211.109458	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"2M+2K"	77.926316
"594661"	297.182608	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"3M+2K"	77.926316
"1083675"	125.036308	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2K"	77.926316
"1108012"	251.079892	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2K+H"	78.933592
"1350595"	251.167507	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+DMSO+H"	79.021207
"1010739"	255.206676	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2ACN+H"	83.060376
"1535426"	256.200308	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+IsoProp+Na+H"	84.054008
"1004425"	128.106976	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+2ACN+2H"	84.067652
"1601479"	257.114928	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+K+HCOOH"	84.968628
"1425313"	287.146438	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+H+CF3COOH"	115.000138
"1153417"	148.620251	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+3ACN+2H"	125.094202
"1700780"	304.172985	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+NH4+CF3COOH"	132.026685
"1639711"	309.12838	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+Na+CF3COOH"	136.98208
"1573175"	325.10232	"C12292"	"Ethyl octanoate;Ethyl caprylate"	"C10H20O2"	"172.1463"	"M+K+CF3COOH"	152.95602
"806823"	116.0837	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M"	0
"980354"	97.06531	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-H2O-H"	-19.01839
"69692"	76.3818573333333	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M-3H"	-3.021828
"510345"	115.076424	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M-3H"	-3.021828
"888147"	37.6872906666667	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-3H"	-3.021828
"8909"	115.076424	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M-2H"	-2.014552
"446286"	173.118274	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M-2H"	-2.014552
"830284"	57.034574	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-2H"	-2.014552
"82991"	231.160124	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M-H"	-1.007276
"526927"	347.243824	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M-H"	-1.007276
"902541"	115.076424	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-H"	-1.007276
"50719"	248.186671	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M-2H+NH4"	16.019271
"492103"	364.270371	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M-2H+NH4"	16.019271
"872095"	132.102971	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-2H+NH4"	16.019271
"43279"	253.142066	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M-2H+Na"	20.974666
"479557"	369.225766	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M-2H+Na"	20.974666
"852983"	137.058366	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-2H+Na"	20.974666
"1625801"	137.058366	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Na-2H"	20.974666
"101237"	133.064763	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M-H+Cl"	33.962126
"539704"	191.106613	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M-H+Cl"	33.962126
"934310"	75.022913	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-H+Cl"	33.962126
"269954"	267.136802	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+Cl"	34.969402
"666389"	383.220502	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+Cl"	34.969402
"1278791"	151.053102	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Cl"	34.969402
"22441"	269.116006	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M-2H+K"	36.948606
"459816"	385.199706	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M-2H+K"	36.948606
"839806"	153.032306	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-2H+K"	36.948606
"1563291"	153.032306	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+K-2H"	36.948606
"954457"	161.081894	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-H+HCOOH"	44.998194
"369393"	277.165601	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+HCOOH-H"	44.998201
"352182"	291.181251	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+Hac-H"	59.013851
"1499190"	175.097551	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Hac-H"	59.013851
"966368"	183.063851	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-H+NaCOOH"	66.980151
"113818"	151.053102	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+2Cl"	69.938804
"555933"	209.094952	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+2Cl"	69.938804
"1028012"	93.011252	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2Cl"	69.938804
"1249779"	195.002585	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Br"	78.918885
"1312228"	197.058572	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Cl+HCOOH"	80.974872
"1326443"	219.040529	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Cl+NaCOOH"	102.956829
"915313"	229.069286	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M-H+CF3COOH"	112.985586
"1289590"	265.045964	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Cl+CF3COOH"	148.962264
"1374563"	81.071024	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H-2H2O"	-35.012676
"1394243"	99.081	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H-H2O"	-17.0027
"287005"	233.174676	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+H"	1.007276
"679426"	349.258376	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+H"	1.007276
"1355410"	117.090976	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H"	1.007276
"129026"	117.090976	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+2H"	2.014552
"576244"	175.132826	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+2H"	2.014552
"1043953"	59.049126	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2H"	2.014552
"212948"	78.3964093333333	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+3H"	3.021828
"655790"	117.090976	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+3H"	3.021828
"1175740"	39.7018426666667	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+3H"	3.021828
"438650"	250.201223	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+NH4"	18.033823
"797819"	366.284923	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+NH4"	18.033823
"1693058"	134.117523	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+NH4"	18.033823
"343162"	125.6042495	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+H+NH4"	19.041099
"726833"	183.6460995	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+H+NH4"	19.041099
"1481382"	67.5623995	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H+NH4"	19.041099
"396781"	255.156618	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+Na"	22.989218
"754737"	371.240318	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+Na"	22.989218
"1604053"	139.072918	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Na"	22.989218
"319196"	128.081947	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+H+Na"	23.996494
"715993"	186.123797	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+H+Na"	23.996494
"1468720"	70.040097	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H+Na"	23.996494
"1060874"	47.0291566666667	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2H+Na"	25.00377
"1261459"	149.117186	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+CH3OH+H"	33.033486
"381130"	271.130558	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+K"	38.963158
"740303"	387.214258	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+K"	38.963158
"1541626"	155.046858	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+K"	38.963158
"300259"	136.068917	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+H+K"	39.970434
"695234"	194.110767	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+H+K"	39.970434
"1451970"	78.027067	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H+K"	39.970434
"243853"	274.201226	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+ACN+H"	42.033826
"1220936"	158.117526	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+ACN+H"	42.033826
"1207007"	79.562401	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+ACN+2H"	43.041102
"202065"	277.13856	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+2Na-H"	44.97116
"635069"	393.22226	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+2Na-H"	44.97116
"1140759"	161.05486	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2Na-H"	44.97116
"187701"	139.072918	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+2Na"	45.978436
"621421"	197.114768	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+2Na"	45.978436
"1120554"	81.031068	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2Na"	45.978436
"1410642"	54.3564706666667	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H+2Na"	46.985712
"1444343"	163.096446	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H+HCOOH"	47.012746
"234284"	144.10594	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+3H2O+2H"	56.04448
"1522830"	177.14849	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+IsoProp+H"	61.06479
"423247"	147.059888	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+Na+K"	61.952376
"784849"	205.101738	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+Na+K"	61.952376
"1679479"	89.018038	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Na+K"	61.952376
"265392"	296.183168	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+ACN+Na"	64.015768
"1239802"	180.099468	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+ACN+Na"	64.015768
"1725652"	180.122993	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+NH4+HCOOH"	64.039293
"1192102"	61.6837846666667	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+3Na"	68.967654
"1664059"	185.078388	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Na+HCOOH"	68.994688
"172377"	309.08644	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+2K-H"	76.91904
"612182"	425.17014	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+2K-H"	76.91904
"1096205"	193.00274	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2K-H"	76.91904
"156183"	155.046858	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"2M+2K"	77.926316
"594650"	213.088708	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"3M+2K"	77.926316
"1083703"	97.005008	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2K"	77.926316
"1113589"	195.017292	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2K+H"	78.933592
"1351271"	195.104907	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+DMSO+H"	79.021207
"1011943"	199.144076	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2ACN+H"	83.060376
"1532255"	200.137708	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+IsoProp+Na+H"	84.054008
"1004779"	100.075676	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+2ACN+2H"	84.067652
"1602198"	201.052328	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+K+HCOOH"	84.968628
"1424331"	231.083838	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+H+CF3COOH"	115.000138
"1154620"	120.588951	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+3ACN+2H"	125.094202
"1700890"	248.110385	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+NH4+CF3COOH"	132.026685
"1638728"	253.06578	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+Na+CF3COOH"	136.98208
"1573285"	269.03972	"C12293"	"Isoamyl formate"	"C6H12O2"	"116.0837"	"M+K+CF3COOH"	152.95602
"806933"	182.1307	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M"	0
"980464"	163.11231	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-H2O-H"	-19.01839
"73082"	120.413190666667	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M-3H"	-3.021828
"513735"	181.123424	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M-3H"	-3.021828
"890444"	59.7029573333333	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-3H"	-3.021828
"6831"	181.123424	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M-2H"	-2.014552
"452592"	272.188774	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M-2H"	-2.014552
"827477"	90.058074	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-2H"	-2.014552
"84194"	363.254124	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M-H"	-1.007276
"528131"	545.384824	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M-H"	-1.007276
"901558"	181.123424	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-H"	-1.007276
"49370"	380.280671	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M-2H+NH4"	16.019271
"490023"	562.411371	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M-2H+NH4"	16.019271
"872205"	198.149971	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-2H+NH4"	16.019271
"44482"	385.236066	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M-2H+Na"	20.974666
"480760"	567.366766	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M-2H+Na"	20.974666
"852729"	203.105366	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-2H+Na"	20.974666
"1623725"	203.105366	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Na-2H"	20.974666
"104629"	199.111763	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M-H+Cl"	33.962126
"542001"	290.177113	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M-H+Cl"	33.962126
"937702"	108.046413	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-H+Cl"	33.962126
"271158"	399.230802	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+Cl"	34.969402
"666498"	581.361502	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+Cl"	34.969402
"1281088"	217.100102	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Cl"	34.969402
"25832"	401.210006	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M-2H+K"	36.948606
"459196"	583.340706	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M-2H+K"	36.948606
"843196"	219.079306	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-2H+K"	36.948606
"1564495"	219.079306	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+K-2H"	36.948606
"952380"	227.128894	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-H+HCOOH"	44.998194
"373877"	409.259601	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+HCOOH-H"	44.998201
"354478"	423.275251	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+Hac-H"	59.013851
"1502216"	241.144551	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Hac-H"	59.013851
"970852"	249.110851	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-H+NaCOOH"	66.980151
"119760"	217.100102	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+2Cl"	69.938804
"558229"	308.165452	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+2Cl"	69.938804
"1024841"	126.034752	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2Cl"	69.938804
"1247701"	261.049585	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Br"	78.918885
"1312336"	263.105572	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Cl+HCOOH"	80.974872
"1327646"	285.087529	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Cl+NaCOOH"	102.956829
"913965"	295.116286	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M-H+CF3COOH"	112.985586
"1290671"	331.092964	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Cl+CF3COOH"	148.962264
"1381232"	147.118024	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H-2H2O"	-35.012676
"1397633"	165.128	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H-H2O"	-17.0027
"287844"	365.268676	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+H"	1.007276
"679536"	547.399376	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+H"	1.007276
"1354061"	183.137976	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H"	1.007276
"130229"	183.137976	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+2H"	2.014552
"577447"	274.203326	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+2H"	2.014552
"1045156"	92.072626	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2H"	2.014552
"214151"	122.427742666667	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+3H"	3.021828
"652620"	183.137976	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+3H"	3.021828
"1176578"	61.7175093333333	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+3H"	3.021828
"437663"	382.295223	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+NH4"	18.033823
"799386"	564.425923	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+NH4"	18.033823
"1693167"	200.164523	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+NH4"	18.033823
"345053"	191.6512495	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+H+NH4"	19.041099
"726580"	282.7165995	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+H+NH4"	19.041099
"1483679"	100.5858995	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H+NH4"	19.041099
"399078"	387.250618	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+Na"	22.989218
"756065"	569.381318	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+Na"	22.989218
"1607079"	205.119918	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Na"	22.989218
"319306"	194.128947	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+H+Na"	23.996494
"717926"	285.194297	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+H+Na"	23.996494
"1468830"	103.063597	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H+Na"	23.996494
"1057704"	69.0448233333333	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2H+Na"	25.00377
"1259383"	215.164186	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+CH3OH+H"	33.033486
"381240"	403.224558	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+K"	38.963158
"742600"	585.355258	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+K"	38.963158
"1543196"	221.093858	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+K"	38.963158
"304744"	202.115917	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+H+K"	39.970434
"695709"	293.181267	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+H+K"	39.970434
"1453175"	111.050567	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H+K"	39.970434
"245056"	406.295226	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+ACN+H"	42.033826
"1221046"	224.164526	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+ACN+H"	42.033826
"1206023"	112.585901	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+ACN+2H"	43.041102
"201081"	409.23256	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+2Na-H"	44.97116
"639551"	591.36326	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+2Na-H"	44.97116
"1141962"	227.10186	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2Na-H"	44.97116
"183065"	205.119918	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+2Na"	45.978436
"621531"	296.185268	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+2Na"	45.978436
"1122120"	114.054568	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2Na"	45.978436
"1411845"	76.3721373333333	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H+2Na"	46.985712
"1445466"	229.143446	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H+HCOOH"	47.012746
"232562"	210.15294	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+3H2O+2H"	56.04448
"1523541"	243.19549	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+IsoProp+H"	61.06479
"421409"	213.106888	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+Na+K"	61.952376
"783137"	304.172238	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+Na+K"	61.952376
"1679103"	122.041538	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Na+K"	61.952376
"266475"	428.277168	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+ACN+Na"	64.015768
"1241127"	246.146468	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+ACN+Na"	64.015768
"1723580"	246.169993	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+NH4+HCOOH"	64.039293
"1193306"	83.6994513333333	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+3Na"	68.967654
"1665268"	251.125388	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Na+HCOOH"	68.994688
"170907"	441.18044	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+2K-H"	76.91904
"612047"	623.31114	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+2K-H"	76.91904
"1096315"	259.04974	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2K-H"	76.91904
"156660"	221.093858	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"2M+2K"	77.926316
"593788"	312.159208	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"3M+2K"	77.926316
"1083772"	130.028508	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2K"	77.926316
"1115440"	261.064292	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2K+H"	78.933592
"1351186"	261.151907	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+DMSO+H"	79.021207
"1017521"	265.191076	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2ACN+H"	83.060376
"1533459"	266.184708	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+IsoProp+Na+H"	84.054008
"1002093"	133.099176	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+2ACN+2H"	84.067652
"1602311"	267.099328	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+K+HCOOH"	84.968628
"1428814"	297.130838	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+H+CF3COOH"	115.000138
"1156917"	153.612451	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+3ACN+2H"	125.094202
"1702093"	314.157385	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+NH4+CF3COOH"	132.026685
"1638838"	319.11278	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+Na+CF3COOH"	136.98208
"1573395"	335.08672	"C12294"	"Geranyl formate"	"C11H18O2"	"182.1307"	"M+K+CF3COOH"	152.95602
"807043"	184.1463	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M"	0
"980574"	165.12791	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-H2O-H"	-19.01839
"64442"	121.756924	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M-3H"	-3.021828
"502871"	183.139024	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M-3H"	-3.021828
"880110"	60.374824	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-3H"	-3.021828
"501"	183.139024	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M-2H"	-2.014552
"445407"	275.212174	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M-2H"	-2.014552
"818834"	91.065874	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-2H"	-2.014552
"88678"	367.285324	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M-H"	-1.007276
"526054"	551.431624	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M-H"	-1.007276
"901668"	183.139024	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-H"	-1.007276
"49845"	384.311871	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M-2H+NH4"	16.019271
"491227"	568.458171	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M-2H+NH4"	16.019271
"870129"	200.165571	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-2H+NH4"	16.019271
"44592"	389.267266	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M-2H+Na"	20.974666
"479777"	573.413566	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M-2H+Na"	20.974666
"853568"	205.120966	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-2H+Na"	20.974666
"1626023"	205.120966	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Na-2H"	20.974666
"103645"	201.127363	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M-H+Cl"	33.962126
"543206"	293.200513	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M-H+Cl"	33.962126
"937812"	109.054213	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-H+Cl"	33.962126
"274185"	403.262002	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+Cl"	34.969402
"665516"	587.408302	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+Cl"	34.969402
"1275730"	219.115702	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Cl"	34.969402
"21568"	405.241206	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M-2H+K"	36.948606
"458942"	589.387506	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M-2H+K"	36.948606
"837839"	221.094906	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-2H+K"	36.948606
"1561326"	221.094906	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+K-2H"	36.948606
"948480"	229.144494	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-H+HCOOH"	44.998194
"367426"	413.290801	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+HCOOH-H"	44.998201
"350578"	427.306451	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+Hac-H"	59.013851
"1500503"	243.160151	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Hac-H"	59.013851
"964036"	251.126451	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-H+NaCOOH"	66.980151
"112215"	219.115702	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+2Cl"	69.938804
"556152"	311.188852	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+2Cl"	69.938804
"1023127"	127.042552	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2Cl"	69.938804
"1243072"	263.065185	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Br"	78.918885
"1308072"	265.121172	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Cl+HCOOH"	80.974872
"1327756"	287.103129	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Cl+NaCOOH"	102.956829
"914440"	297.131886	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M-H+CF3COOH"	112.985586
"1289446"	333.108564	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Cl+CF3COOH"	148.962264
"1374781"	149.133624	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H-2H2O"	-35.012676
"1396650"	167.1436	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H-H2O"	-17.0027
"288684"	369.299876	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+H"	1.007276
"682197"	553.446176	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+H"	1.007276
"1355632"	185.153576	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H"	1.007276
"129977"	185.153576	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+2H"	2.014552
"577557"	277.226726	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+2H"	2.014552
"1048545"	93.080426	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2H"	2.014552
"213165"	123.771476	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+3H"	3.021828
"652727"	185.153576	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+3H"	3.021828
"1176324"	62.389376	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+3H"	3.021828
"434127"	386.326423	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+NH4"	18.033823
"797310"	570.472723	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+NH4"	18.033823
"1694371"	202.180123	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+NH4"	18.033823
"342288"	193.6668495	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+H+NH4"	19.041099
"728877"	285.7399995	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+H+NH4"	19.041099
"1483791"	101.5936995	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H+NH4"	19.041099
"397368"	391.281818	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+Na"	22.989218
"757997"	575.428118	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+Na"	22.989218
"1609376"	207.135518	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Na"	22.989218
"317229"	196.144547	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+H+Na"	23.996494
"711840"	288.217697	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+H+Na"	23.996494
"1464565"	104.071397	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H+Na"	23.996494
"1055624"	69.71669	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2H+Na"	25.00377
"1258397"	217.179786	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+CH3OH+H"	33.033486
"382444"	407.255758	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+K"	38.963158
"743440"	591.402058	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+K"	38.963158
"1543307"	223.109458	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+K"	38.963158
"305949"	204.131517	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+H+K"	39.970434
"695820"	296.204667	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+H+K"	39.970434
"1452191"	112.058367	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H+K"	39.970434
"245167"	410.326426	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+ACN+H"	42.033826
"1218969"	226.180126	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+ACN+H"	42.033826
"1205039"	113.593701	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+ACN+2H"	43.041102
"200098"	413.26376	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+2Na-H"	44.97116
"636382"	597.41006	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+2Na-H"	44.97116
"1144259"	229.11746	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2Na-H"	44.97116
"186455"	207.135518	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+2Na"	45.978436
"620549"	299.208668	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+2Na"	45.978436
"1127335"	115.062368	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2Na"	45.978436
"1410862"	77.044004	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H+2Na"	46.985712
"1443706"	231.159046	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H+HCOOH"	47.012746
"231579"	212.16854	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+3H2O+2H"	56.04448
"1522194"	245.21109	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+IsoProp+H"	61.06479
"421515"	215.122488	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+Na+K"	61.952376
"782511"	307.195638	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+Na+K"	61.952376
"1678483"	123.049338	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Na+K"	61.952376
"264639"	432.308368	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+ACN+Na"	64.015768
"1240629"	248.162068	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+ACN+Na"	64.015768
"1725876"	248.185593	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+NH4+HCOOH"	64.039293
"1193416"	84.371318	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+3Na"	68.967654
"1664401"	253.140988	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Na+HCOOH"	68.994688
"170166"	445.21164	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+2K-H"	76.91904
"609727"	629.35794	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+2K-H"	76.91904
"1096425"	261.06534	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2K-H"	76.91904
"155430"	223.109458	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"2M+2K"	77.926316
"593897"	315.182608	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"3M+2K"	77.926316
"1083761"	131.036308	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2K"	77.926316
"1115590"	263.079892	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2K+H"	78.933592
"1351259"	263.167507	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+DMSO+H"	79.021207
"1018725"	267.206676	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2ACN+H"	83.060376
"1536850"	268.200308	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+IsoProp+Na+H"	84.054008
"1005450"	134.106976	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+2ACN+2H"	84.067652
"1602295"	269.114928	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+K+HCOOH"	84.968628
"1429492"	299.146438	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+H+CF3COOH"	115.000138
"1158119"	154.620251	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+3ACN+2H"	125.094202
"1701110"	316.172985	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+NH4+CF3COOH"	132.026685
"1638948"	321.12838	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+Na+CF3COOH"	136.98208
"1574598"	337.10232	"C12295"	"Citronellyl formate"	"C11H20O2"	"184.1463"	"M+K+CF3COOH"	152.95602
"807153"	130.0994	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M"	0
"980684"	111.08101	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-H2O-H"	-19.01839
"64551"	85.7256573333333	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M-3H"	-3.021828
"503745"	129.092124	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M-3H"	-3.021828
"882271"	42.3591906666667	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-3H"	-3.021828
"854"	129.092124	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M-2H"	-2.014552
"443330"	194.141824	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M-2H"	-2.014552
"818944"	64.042424	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-2H"	-2.014552
"88788"	259.191524	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M-H"	-1.007276
"528351"	389.290924	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M-H"	-1.007276
"899955"	129.092124	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-H"	-1.007276
"52142"	276.218071	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M-2H+NH4"	16.019271
"498992"	406.317471	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M-2H+NH4"	16.019271
"870239"	146.118671	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-2H+NH4"	16.019271
"44702"	281.173466	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M-2H+Na"	20.974666
"477701"	411.272866	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M-2H+Na"	20.974666
"852221"	151.074066	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-2H+Na"	20.974666
"1626133"	151.074066	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Na-2H"	20.974666
"101568"	147.080463	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M-H+Cl"	33.962126
"542222"	212.130163	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M-H+Cl"	33.962126
"936829"	82.030763	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-H+Cl"	33.962126
"271015"	295.168202	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+Cl"	34.969402
"666719"	425.267602	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+Cl"	34.969402
"1279121"	165.068802	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Cl"	34.969402
"24958"	297.147406	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M-2H+K"	36.948606
"460145"	427.246806	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M-2H+K"	36.948606
"840136"	167.048006	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-2H+K"	36.948606
"1562529"	167.048006	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+K-2H"	36.948606
"953693"	175.097594	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-H+HCOOH"	44.998194
"367536"	305.197001	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+HCOOH-H"	44.998201
"352511"	319.212651	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+Hac-H"	59.013851
"1501342"	189.113251	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Hac-H"	59.013851
"963782"	197.079551	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-H+NaCOOH"	66.980151
"113420"	165.068802	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+2Cl"	69.938804
"556262"	230.118502	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+2Cl"	69.938804
"1021938"	100.019102	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2Cl"	69.938804
"1243182"	209.018285	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Br"	78.918885
"1310369"	211.074272	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Cl+HCOOH"	80.974872
"1321306"	233.056229	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Cl+NaCOOH"	102.956829
"913457"	243.084986	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M-H+CF3COOH"	112.985586
"1290165"	279.061664	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Cl+CF3COOH"	148.962264
"1374890"	95.086724	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H-2H2O"	-35.012676
"1388011"	113.0967	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H-H2O"	-17.0027
"288794"	261.206076	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+H"	1.007276
"685587"	391.305476	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+H"	1.007276
"1356467"	131.106676	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H"	1.007276
"130814"	131.106676	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+2H"	2.014552
"575481"	196.156376	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+2H"	2.014552
"1045375"	66.056976	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2H"	2.014552
"212182"	87.7402093333333	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+3H"	3.021828
"651740"	131.106676	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+3H"	3.021828
"1173151"	44.3737426666667	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+3H"	3.021828
"433142"	278.232623	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+NH4"	18.033823
"797420"	408.332023	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+NH4"	18.033823
"1690470"	148.133223	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+NH4"	18.033823
"344217"	139.6199495	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+H+NH4"	19.041099
"727894"	204.6696495	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+H+NH4"	19.041099
"1481714"	74.5702495	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H+NH4"	19.041099
"401489"	283.188018	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+Na"	22.989218
"759202"	413.287418	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+Na"	22.989218
"1611678"	153.088618	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Na"	22.989218
"318432"	142.097647	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+H+Na"	23.996494
"714136"	207.147347	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+H+Na"	23.996494
"1467956"	77.047947	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H+Na"	23.996494
"1055734"	51.7010566666667	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2H+Na"	25.00377
"1262882"	163.132886	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+CH3OH+H"	33.033486
"386928"	299.161958	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+K"	38.963158
"744644"	429.261358	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+K"	38.963158
"1548884"	169.062558	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+K"	38.963158
"306059"	150.084617	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+H+K"	39.970434
"696296"	215.134317	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+H+K"	39.970434
"1452302"	85.034917	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H+K"	39.970434
"245276"	302.232626	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+ACN+H"	42.033826
"1217986"	172.133226	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+ACN+H"	42.033826
"1204056"	86.570251	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+ACN+2H"	43.041102
"196928"	305.16996	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+2Na-H"	44.97116
"636490"	435.26936	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+2Na-H"	44.97116
"1136349"	175.07056	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2Na-H"	44.97116
"183285"	153.088618	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+2Na"	45.978436
"620659"	218.138318	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+2Na"	45.978436
"1126717"	88.038918	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2Na"	45.978436
"1409516"	59.0283706666667	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H+2Na"	46.985712
"1440902"	177.112146	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H+HCOOH"	47.012746
"231691"	158.12164	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+3H2O+2H"	56.04448
"1517933"	191.16419	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+IsoProp+H"	61.06479
"419439"	161.075588	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+Na+K"	61.952376
"782984"	226.125288	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+Na+K"	61.952376
"1678586"	96.025888	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Na+K"	61.952376
"264020"	324.214568	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+ACN+Na"	64.015768
"1238916"	194.115168	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+ACN+Na"	64.015768
"1727079"	194.138693	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+NH4+HCOOH"	64.039293
"1194184"	66.3556846666667	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+3Na"	68.967654
"1665576"	199.094088	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Na+HCOOH"	68.994688
"170275"	337.11784	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+2K-H"	76.91904
"611902"	467.21724	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+2K-H"	76.91904
"1095442"	207.01844	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2K-H"	76.91904
"155419"	169.062558	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"2M+2K"	77.926316
"592912"	234.112258	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"3M+2K"	77.926316
"1082653"	104.012858	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2K"	77.926316
"1115386"	209.032992	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2K+H"	78.933592
"1351248"	209.120607	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+DMSO+H"	79.021207
"1020659"	213.159776	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2ACN+H"	83.060376
"1538906"	214.153408	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+IsoProp+Na+H"	84.054008
"1005234"	107.083526	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+2ACN+2H"	84.067652
"1602713"	215.068028	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+K+HCOOH"	84.968628
"1429360"	245.099538	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+H+CF3COOH"	115.000138
"1158229"	127.596801	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+3ACN+2H"	125.094202
"1701220"	262.126085	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+NH4+CF3COOH"	132.026685
"1639058"	267.08148	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+Na+CF3COOH"	136.98208
"1574708"	283.05542	"C12296"	"Isoamyl  acetate"	"C7H14O2"	"130.0994"	"M+K+CF3COOH"	152.95602
"807263"	142.0994	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M"	0
"980794"	123.08101	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-H2O-H"	-19.01839
"65755"	93.7256573333333	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M-3H"	-3.021828
"505313"	141.092124	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M-3H"	-3.021828
"880802"	46.3591906666667	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-3H"	-3.021828
"964"	141.092124	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M-2H"	-2.014552
"443440"	212.141824	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M-2H"	-2.014552
"819054"	70.042424	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-2H"	-2.014552
"93145"	283.191524	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M-H"	-1.007276
"522628"	425.290924	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M-H"	-1.007276
"898606"	141.092124	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-H"	-1.007276
"50064"	300.218071	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M-2H+NH4"	16.019271
"496916"	442.317471	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M-2H+NH4"	16.019271
"870349"	158.118671	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-2H+NH4"	16.019271
"44570"	305.173466	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M-2H+Na"	20.974666
"478904"	447.272866	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M-2H+Na"	20.974666
"855612"	163.074066	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-2H+Na"	20.974666
"1627337"	163.074066	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Na-2H"	20.974666
"101678"	159.080463	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M-H+Cl"	33.962126
"544520"	230.130163	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M-H+Cl"	33.962126
"939126"	88.030763	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-H+Cl"	33.962126
"274405"	319.168202	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+Cl"	34.969402
"665736"	461.267602	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+Cl"	34.969402
"1279231"	177.068802	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Cl"	34.969402
"21787"	321.147406	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M-2H+K"	36.948606
"462442"	463.246806	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M-2H+K"	36.948606
"842430"	179.048006	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-2H+K"	36.948606
"1561548"	179.048006	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+K-2H"	36.948606
"950524"	187.097594	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-H+HCOOH"	44.998194
"365458"	329.197001	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+HCOOH-H"	44.998201
"352621"	343.212651	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+Hac-H"	59.013851
"1495256"	201.113251	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Hac-H"	59.013851
"960976"	209.079551	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-H+NaCOOH"	66.980151
"114622"	177.068802	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+2Cl"	69.938804
"553093"	248.118502	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+2Cl"	69.938804
"1021847"	106.019102	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2Cl"	69.938804
"1242928"	221.018285	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Br"	78.918885
"1308292"	223.074272	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Cl+HCOOH"	80.974872
"1321416"	245.056229	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Cl+NaCOOH"	102.956829
"913567"	255.084986	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M-H+CF3COOH"	112.985586
"1290517"	291.061664	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Cl+CF3COOH"	148.962264
"1375000"	107.086724	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H-2H2O"	-35.012676
"1384841"	125.0967	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H-H2O"	-17.0027
"287810"	285.206076	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+H"	1.007276
"679501"	427.305476	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+H"	1.007276
"1352569"	143.106676	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H"	1.007276
"126428"	143.106676	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+2H"	2.014552
"574497"	214.156376	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+2H"	2.014552
"1043298"	72.056976	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2H"	2.014552
"207916"	95.7402093333333	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+3H"	3.021828
"649664"	143.106676	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+3H"	3.021828
"1169982"	48.3737426666667	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+3H"	3.021828
"428876"	302.232623	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+NH4"	18.033823
"792061"	444.332023	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+NH4"	18.033823
"1693862"	160.133223	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+NH4"	18.033823
"343966"	151.6199495	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+H+NH4"	19.041099
"731285"	222.6696495	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+H+NH4"	19.041099
"1481826"	80.5702495	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H+NH4"	19.041099
"402693"	307.188018	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+Na"	22.989218
"762592"	449.287418	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+Na"	22.989218
"1613610"	165.088618	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Na"	22.989218
"319637"	154.097647	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+H+Na"	23.996494
"716798"	225.147347	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+H+Na"	23.996494
"1468066"	83.047947	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H+Na"	23.996494
"1055844"	55.7010566666667	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2H+Na"	25.00377
"1261899"	175.132886	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+CH3OH+H"	33.033486
"388132"	323.161958	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+K"	38.963158
"745847"	465.261358	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+K"	38.963158
"1547901"	181.062558	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+K"	38.963158
"307991"	162.084617	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+H+K"	39.970434
"697499"	233.134317	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+H+K"	39.970434
"1452411"	91.034917	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H+K"	39.970434
"245022"	326.232626	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+ACN+H"	42.033826
"1219189"	184.133226	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+ACN+H"	42.033826
"1206353"	92.570251	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+ACN+2H"	43.041102
"199954"	329.16996	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+2Na-H"	44.97116
"638787"	471.26936	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+2Na-H"	44.97116
"1139011"	187.07056	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2Na-H"	44.97116
"185947"	165.088618	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+2Na"	45.978436
"620768"	236.138318	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+2Na"	45.978436
"1126099"	94.038918	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2Na"	45.978436
"1410721"	63.0283706666667	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H+2Na"	46.985712
"1440647"	189.112146	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H+HCOOH"	47.012746
"230343"	170.12164	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+3H2O+2H"	56.04448
"1520229"	203.16419	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+IsoProp+H"	61.06479
"419915"	173.075588	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+Na+K"	61.952376
"781274"	244.125288	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+Na+K"	61.952376
"1677240"	102.025888	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Na+K"	61.952376
"260112"	348.214568	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+ACN+Na"	64.015768
"1235744"	206.115168	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+ACN+Na"	64.015768
"1725002"	206.138693	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+NH4+HCOOH"	64.039293
"1193514"	70.3556846666667	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+3Na"	68.967654
"1665310"	211.094088	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Na+HCOOH"	68.994688
"168199"	361.11784	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+2K-H"	76.91904
"609946"	503.21724	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+2K-H"	76.91904
"1096645"	219.01844	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2K-H"	76.91904
"155166"	181.062558	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"2M+2K"	77.926316
"590834"	252.112258	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"3M+2K"	77.926316
"1083493"	110.012858	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2K"	77.926316
"1115618"	221.032992	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2K+H"	78.933592
"1351313"	221.120607	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+DMSO+H"	79.021207
"1019917"	225.159776	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2ACN+H"	83.060376
"1539505"	226.153408	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+IsoProp+Na+H"	84.054008
"1004737"	113.083526	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+2ACN+2H"	84.067652
"1602599"	227.068028	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+K+HCOOH"	84.968628
"1429831"	257.099538	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+H+CF3COOH"	115.000138
"1160526"	133.596801	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+3ACN+2H"	125.094202
"1700237"	274.126085	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+NH4+CF3COOH"	132.026685
"1639168"	279.08148	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+Na+CF3COOH"	136.98208
"1574818"	295.05542	"C12297"	"Cyclohexyl acetate"	"C8H14O2"	"142.0994"	"M+K+CF3COOH"	152.95602
"807373"	198.162	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M"	0
"980904"	179.14361	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-H2O-H"	-19.01839
"70239"	131.100724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M-3H"	-3.021828
"505788"	197.154724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M-3H"	-3.021828
"881034"	65.046724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-3H"	-3.021828
"1802"	197.154724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M-2H"	-2.014552
"441727"	296.235724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M-2H"	-2.014552
"818435"	98.073724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-2H"	-2.014552
"92891"	395.316724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M-H"	-1.007276
"527478"	593.478724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M-H"	-1.007276
"904184"	197.154724	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-H"	-1.007276
"55278"	412.343271	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M-2H+NH4"	16.019271
"501887"	610.505271	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M-2H+NH4"	16.019271
"870459"	214.181271	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-2H+NH4"	16.019271
"43829"	417.298666	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M-2H+Na"	20.974666
"477191"	615.460666	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M-2H+Na"	20.974666
"853535"	219.136666	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-2H+Na"	20.974666
"1631820"	219.136666	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Na-2H"	20.974666
"108348"	215.143063	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M-H+Cl"	33.962126
"547789"	314.224063	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M-H+Cl"	33.962126
"940330"	116.062063	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-H+Cl"	33.962126
"279982"	431.293402	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+Cl"	34.969402
"666941"	629.455402	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+Cl"	34.969402
"1280435"	233.131402	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Cl"	34.969402
"24084"	433.272606	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M-2H+K"	36.948606
"466926"	631.434606	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M-2H+K"	36.948606
"844727"	235.110606	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-2H+K"	36.948606
"1567125"	235.110606	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+K-2H"	36.948606
"951728"	243.160194	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-H+HCOOH"	44.998194
"367755"	441.322201	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+HCOOH-H"	44.998201
"351638"	455.337851	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+Hac-H"	59.013851
"1496824"	257.175851	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Hac-H"	59.013851
"963639"	265.142151	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-H+NaCOOH"	66.980151
"116919"	233.131402	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+2Cl"	69.938804
"558670"	332.212402	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+2Cl"	69.938804
"1027468"	134.050402	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2Cl"	69.938804
"1242673"	277.080885	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Br"	78.918885
"1307305"	279.136872	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Cl+HCOOH"	80.974872
"1322619"	301.118829	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Cl+NaCOOH"	102.956829
"915863"	311.147586	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M-H+CF3COOH"	112.985586
"1290384"	347.124264	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Cl+CF3COOH"	148.962264
"1377297"	163.149324	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H-2H2O"	-35.012676
"1387138"	181.1593	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H-H2O"	-17.0027
"293388"	397.331276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+H"	1.007276
"686901"	595.493276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+H"	1.007276
"1355959"	199.169276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H"	1.007276
"132858"	199.169276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+2H"	2.014552
"576795"	298.250276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+2H"	2.014552
"1046687"	100.088276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2H"	2.014552
"214588"	133.115276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+3H"	3.021828
"653057"	199.169276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+3H"	3.021828
"1167905"	67.061276	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+3H"	3.021828
"428258"	414.357823	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+NH4"	18.033823
"791074"	612.519823	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+NH4"	18.033823
"1686317"	216.195823	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+NH4"	18.033823
"345131"	207.6825495	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+H+NH4"	19.041099
"735404"	306.7635495	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+H+NH4"	19.041099
"1487402"	108.6015495	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H+NH4"	19.041099
"403898"	419.313218	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+Na"	22.989218
"765985"	617.475218	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+Na"	22.989218
"1615542"	221.151218	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Na"	22.989218
"324121"	210.160247	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+H+Na"	23.996494
"718732"	309.241247	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+H+Na"	23.996494
"1475103"	111.079247	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H+Na"	23.996494
"1064704"	74.38859	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2H+Na"	25.00377
"1266383"	231.195486	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+CH3OH+H"	33.033486
"386055"	435.287158	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+K"	38.963158
"747050"	633.449158	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+K"	38.963158
"1548010"	237.125158	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+K"	38.963158
"306278"	218.147217	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+H+K"	39.970434
"701250"	317.228217	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+H+K"	39.970434
"1455437"	119.066217	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H+K"	39.970434
"246226"	438.357826	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+ACN+H"	42.033826
"1222580"	240.195826	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+ACN+H"	42.033826
"1205735"	120.601551	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+ACN+2H"	43.041102
"199335"	441.29516	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+2Na-H"	44.97116
"637804"	639.45716	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+2Na-H"	44.97116
"1141308"	243.13316	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2Na-H"	44.97116
"184965"	221.151218	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+2Na"	45.978436
"624160"	320.232218	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+2Na"	45.978436
"1126572"	122.070218	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2Na"	45.978436
"1408280"	81.715904	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H+2Na"	46.985712
"1437843"	245.174746	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H+HCOOH"	47.012746
"228266"	226.18424	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+3H2O+2H"	56.04448
"1519246"	259.22679	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+IsoProp+H"	61.06479
"416379"	229.138188	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+Na+K"	61.952376
"779927"	328.219188	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+Na+K"	61.952376
"1675892"	130.057188	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Na+K"	61.952376
"261681"	460.339768	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+ACN+Na"	64.015768
"1235849"	262.177768	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+ACN+Na"	64.015768
"1720740"	262.201293	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+NH4+HCOOH"	64.039293
"1190466"	89.043218	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+3Na"	68.967654
"1661450"	267.156688	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Na+HCOOH"	68.994688
"169402"	473.24304	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+2K-H"	76.91904
"608963"	671.40504	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+2K-H"	76.91904
"1095662"	275.08104	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2K-H"	76.91904
"153574"	237.125158	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"2M+2K"	77.926316
"588757"	336.206158	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"3M+2K"	77.926316
"1082873"	138.044158	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2K"	77.926316
"1114996"	277.095592	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2K+H"	78.933592
"1350528"	277.183207	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+DMSO+H"	79.021207
"1019785"	281.222376	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2ACN+H"	83.060376
"1537180"	282.216008	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+IsoProp+Na+H"	84.054008
"1004967"	141.114826	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+2ACN+2H"	84.067652
"1602139"	283.130628	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+K+HCOOH"	84.968628
"1428526"	313.162138	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+H+CF3COOH"	115.000138
"1158449"	161.628101	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+3ACN+2H"	125.094202
"1702534"	330.188685	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+NH4+CF3COOH"	132.026685
"1639278"	335.14408	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+Na+CF3COOH"	136.98208
"1574928"	351.11802	"C12298"	"Citronellyl acetate;37-Dimethyl-6-octen-1-yl acetate"	"C12H22O2"	"198.162"	"M+K+CF3COOH"	152.95602
"807483"	176.0837	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M"	0
"981014"	157.06531	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-H2O-H"	-19.01839
"64882"	116.381857333333	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M-3H"	-3.021828
"502910"	175.076424	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M-3H"	-3.021828
"880065"	57.6872906666667	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-3H"	-3.021828
"1913"	175.076424	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M-2H"	-2.014552
"443659"	263.118274	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M-2H"	-2.014552
"820368"	87.034574	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-2H"	-2.014552
"89113"	351.160124	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M-H"	-1.007276
"526494"	527.243824	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M-H"	-1.007276
"902107"	175.076424	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-H"	-1.007276
"54295"	368.186671	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M-2H+NH4"	16.019271
"500416"	544.270371	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M-2H+NH4"	16.019271
"870569"	192.102971	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-2H+NH4"	16.019271
"43939"	373.142066	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M-2H+Na"	20.974666
"477301"	549.225766	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M-2H+Na"	20.974666
"854738"	197.058366	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-2H+Na"	20.974666
"1631930"	197.058366	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Na-2H"	20.974666
"107365"	193.064763	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M-H+Cl"	33.962126
"549113"	281.106613	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M-H+Cl"	33.962126
"939347"	105.022913	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-H+Cl"	33.962126
"281185"	387.136802	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+Cl"	34.969402
"671424"	563.220502	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+Cl"	34.969402
"1281639"	211.053102	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Cl"	34.969402
"25288"	389.116006	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M-2H+K"	36.948606
"469223"	565.199706	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M-2H+K"	36.948606
"845930"	213.032306	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-2H+K"	36.948606
"1563955"	213.032306	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+K-2H"	36.948606
"952931"	221.081894	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-H+HCOOH"	44.998194
"370052"	397.165601	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+HCOOH-H"	44.998201
"351748"	411.181251	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+Hac-H"	59.013851
"1496934"	235.097551	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Hac-H"	59.013851
"962656"	243.063851	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-H+NaCOOH"	66.980151
"115936"	211.053102	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+2Cl"	69.938804
"555499"	299.094952	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+2Cl"	69.938804
"1028672"	123.011252	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2Cl"	69.938804
"1242783"	255.002585	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Br"	78.918885
"1307415"	257.058572	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Cl+HCOOH"	80.974872
"1322363"	279.040529	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Cl+NaCOOH"	102.956829
"913057"	289.069286	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M-H+CF3COOH"	112.985586
"1290494"	325.045964	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Cl+CF3COOH"	148.962264
"1376314"	141.071024	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H-2H2O"	-35.012676
"1388705"	159.081	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H-H2O"	-17.0027
"294591"	353.174676	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+H"	1.007276
"685918"	529.258376	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+H"	1.007276
"1353881"	177.090976	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H"	1.007276
"129688"	177.090976	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+2H"	2.014552
"568515"	265.132826	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+2H"	2.014552
"1042054"	89.049126	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2H"	2.014552
"208492"	118.396409333333	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+3H"	3.021828
"650980"	177.090976	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+3H"	3.021828
"1166916"	59.7018426666667	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+3H"	3.021828
"430188"	370.201223	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+NH4"	18.033823
"792277"	546.284923	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+NH4"	18.033823
"1684966"	194.117523	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+NH4"	18.033823
"332880"	185.6042495	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+H+NH4"	19.041099
"734784"	273.6460995	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+H+NH4"	19.041099
"1486417"	97.5623995	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H+NH4"	19.041099
"402910"	375.156618	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+Na"	22.989218
"763908"	551.240318	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+Na"	22.989218
"1614194"	199.072918	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Na"	22.989218
"325323"	188.081947	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+H+Na"	23.996494
"712277"	276.123797	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+H+Na"	23.996494
"1470470"	100.040097	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H+Na"	23.996494
"1063720"	67.0291566666667	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2H+Na"	25.00377
"1266491"	209.117186	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+CH3OH+H"	33.033486
"383978"	391.130558	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+K"	38.963158
"747160"	567.214258	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+K"	38.963158
"1550306"	215.046858	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+K"	38.963158
"307482"	196.068917	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+H+K"	39.970434
"696624"	284.110767	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+H+K"	39.970434
"1453725"	108.027067	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H+K"	39.970434
"244512"	394.201226	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+ACN+H"	42.033826
"1221594"	218.117526	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+ACN+H"	42.033826
"1203293"	109.562401	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+ACN+2H"	43.041102
"195432"	397.13856	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+2Na-H"	44.97116
"642650"	573.22226	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+2Na-H"	44.97116
"1145064"	221.05486	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2Na-H"	44.97116
"186533"	199.072918	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+2Na"	45.978436
"626457"	287.114768	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+2Na"	45.978436
"1124495"	111.031068	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2Na"	45.978436
"1404738"	74.3564706666667	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H+2Na"	46.985712
"1440138"	223.096446	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H+HCOOH"	47.012746
"230924"	204.10594	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+3H2O+2H"	56.04448
"1520446"	237.14849	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+IsoProp+H"	61.06479
"420132"	207.059888	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+Na+K"	61.952376
"779667"	295.101738	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+Na+K"	61.952376
"1673812"	119.018038	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Na+K"	61.952376
"261424"	416.183168	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+ACN+Na"	64.015768
"1235225"	240.099468	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+ACN+Na"	64.015768
"1724488"	240.122993	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+NH4+HCOOH"	64.039293
"1190571"	81.6837846666667	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+3Na"	68.967654
"1661557"	245.078388	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Na+HCOOH"	68.994688
"167324"	429.08644	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+2K-H"	76.91904
"607975"	605.17014	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+2K-H"	76.91904
"1094679"	253.00274	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2K-H"	76.91904
"151498"	215.046858	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"2M+2K"	77.926316
"588867"	303.088708	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"3M+2K"	77.926316
"1078847"	127.005008	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2K"	77.926316
"1110598"	255.017292	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2K+H"	78.933592
"1344066"	255.104907	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+DMSO+H"	79.021207
"1013691"	259.144076	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2ACN+H"	83.060376
"1531817"	260.137708	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+IsoProp+Na+H"	84.054008
"996076"	130.075676	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+2ACN+2H"	84.067652
"1601154"	261.052328	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+K+HCOOH"	84.968628
"1424989"	291.083838	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+H+CF3COOH"	115.000138
"1153088"	150.588951	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+3ACN+2H"	125.094202
"1704828"	308.110385	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+NH4+CF3COOH"	132.026685
"1638291"	313.06578	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+Na+CF3COOH"	136.98208
"1571350"	329.03972	"C12299"	"Cinnamyl acetate;3-Phenyl-2-propenyl acetate"	"C11H12O2"	"176.0837"	"M+K+CF3COOH"	152.95602
"807593"	196.1463	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M"	0
"981124"	177.12791	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"64992"	129.756924	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"503497"	195.139024	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"881258"	64.374824	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"3116"	195.139024	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"444862"	293.212174	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"821571"	97.065874	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"88130"	391.285324	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"529881"	587.431624	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"908780"	195.139024	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"59873"	408.311871	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"498340"	604.458171	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"870679"	212.165571	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"47034"	413.267266	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"479234"	609.413566	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"851932"	217.120966	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1630947"	217.120966	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"107475"	213.127363	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"548130"	311.200513	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"939457"	115.054213	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"279109"	427.262002	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"671534"	623.408302	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1281749"	231.115702	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"24305"	429.241206	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"468240"	625.387506	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"842761"	233.094906	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1564065"	233.094906	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"950855"	241.144494	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"366880"	437.290801	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"350762"	451.306451	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1496679"	255.160151	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"966046"	263.126451	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"117139"	231.115702	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"555609"	329.188852	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1028782"	133.042552	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1241512"	275.065185	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1305704"	277.121172	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1322835"	299.103129	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"913167"	309.131886	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1293884"	345.108564	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1375331"	161.133624	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1388815"	179.1436	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"293608"	393.299876	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"686028"	589.446176	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1353991"	197.153576	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"126878"	197.153576	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"568261"	295.226726	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1041800"	99.080426	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"208237"	131.771476	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"648166"	197.153576	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1167025"	66.389376	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"430298"	410.326423	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"793483"	606.472723	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1684348"	214.180123	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"332990"	205.6668495	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"734894"	303.7399995	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1485433"	107.5936995	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"403020"	415.281818	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"762926"	611.428118	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1614304"	219.135518	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"326528"	208.144547	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"717856"	306.217697	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1469487"	110.071397	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1062736"	73.71669	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1267695"	229.179786	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"387369"	431.255758	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"749823"	627.402058	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1553333"	235.109458	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"310145"	216.131517	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"700014"	314.204667	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1456022"	118.058367	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"244622"	434.326426	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1221704"	238.180126	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1203403"	119.593701	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"196271"	437.26376	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"640575"	633.41006	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1144810"	241.11746	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"185185"	219.135518	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"626810"	317.208668	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1124605"	121.062368	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1404848"	81.044004	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1439883"	243.159046	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"229577"	224.16854	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1519463"	257.21109	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"418420"	227.122488	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"776497"	325.195638	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1673922"	129.049338	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"259347"	456.308368	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1234242"	260.162068	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1723122"	260.185593	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1190317"	88.371318	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1659480"	265.140988	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"164154"	469.21164	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"605897"	665.35794	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1094789"	273.06534	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"153794"	235.109458	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"587884"	333.182608	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1078957"	137.036308	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1109979"	275.079892	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1343082"	275.167507	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1013799"	279.206676	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1531927"	280.200308	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"997279"	140.106976	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1600899"	281.114928	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1422912"	311.146438	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1151011"	160.620251	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1704938"	328.172985	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1636214"	333.12838	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1571502"	349.10232	"C12300"	"alpha-Terpinyl acetate;p-Menth-1-en-8-yl acetate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"807703"	196.1463	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M"	0
"981234"	177.12791	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"66195"	129.756924	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"504295"	195.139024	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"881732"	64.374824	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"3226"	195.139024	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"443879"	293.212174	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"819494"	97.065874	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"88240"	391.285324	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"529992"	587.431624	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"907797"	195.139024	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"55610"	408.311871	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"496264"	604.458171	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"876248"	212.165571	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"44159"	413.267266	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"476064"	609.413566	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"853135"	217.120966	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1632150"	217.120966	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"105398"	213.127363	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"546053"	311.200513	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"939931"	115.054213	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"278125"	427.262002	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"673469"	623.408302	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1284047"	231.115702	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"27696"	429.241206	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"465070"	625.387506	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"843966"	233.094906	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1565267"	233.094906	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"950965"	241.144494	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"369177"	437.290801	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"351968"	451.306451	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1497518"	255.160151	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"965063"	263.126451	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"117249"	231.115702	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"555719"	329.188852	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1026705"	133.042552	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1249563"	275.065185	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1305449"	277.121172	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1321851"	299.103129	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"915100"	309.131886	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1291807"	345.108564	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1376170"	161.133624	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1388925"	179.1436	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"294811"	393.299876	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"686867"	589.446176	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1354101"	197.153576	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"127474"	197.153576	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"569464"	295.226726	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1042639"	99.080426	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"209076"	131.771476	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"649369"	197.153576	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1168228"	66.389376	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"429315"	410.326423	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"793593"	606.472723	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1684458"	214.180123	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"333101"	205.6668495	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"733183"	303.7399995	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1484450"	107.5936995	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"403130"	415.281818	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"757567"	611.428118	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1608945"	219.135518	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"321169"	208.144547	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"714686"	306.217697	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1469597"	110.071397	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1057378"	73.71669	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1264525"	229.179786	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"387845"	431.255758	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"750297"	627.402058	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1549067"	235.109458	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"308797"	216.131517	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"700488"	314.204667	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1453944"	118.058367	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"243638"	434.326426	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1219626"	238.180126	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1199137"	119.593701	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"195652"	437.26376	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"631933"	633.41006	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1144311"	241.11746	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"182741"	219.135518	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"626554"	317.208668	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1124714"	121.062368	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1406051"	81.044004	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1440358"	243.159046	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"227864"	224.16854	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1519573"	257.21109	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"417800"	227.122488	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"776607"	325.195638	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1669658"	129.049338	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"259457"	456.308368	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1235445"	260.162068	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1722139"	260.185593	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1187505"	88.371318	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1659590"	265.140988	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"164264"	469.21164	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"604914"	665.35794	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1095992"	273.06534	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"153903"	235.109458	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"587994"	333.182608	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1077974"	137.036308	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1110089"	275.079892	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1342099"	275.167507	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1013909"	279.206676	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1532037"	280.200308	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"998482"	140.106976	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1600644"	281.114928	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1424115"	311.146438	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1150027"	160.620251	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1705048"	328.172985	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1636324"	333.12838	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1571328"	349.10232	"C12301"	"beta-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethenyl)- 1-acetate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"807813"	196.1463	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M"	0
"981344"	177.12791	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"65212"	129.756924	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"504770"	195.139024	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"882935"	64.374824	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"3336"	195.139024	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"446175"	293.212174	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"821061"	97.065874	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"83975"	391.285324	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"529009"	587.431624	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"907906"	195.139024	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"57907"	408.311871	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"497466"	604.458171	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"873078"	212.165571	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"45362"	413.267266	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"479454"	609.413566	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"849965"	217.120966	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1629709"	217.120966	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"105144"	213.127363	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"546163"	311.200513	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"939677"	115.054213	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"278235"	427.262002	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"672488"	623.408302	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1284157"	231.115702	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"29629"	429.241206	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"464087"	625.387506	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"844077"	233.094906	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1563191"	233.094906	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"951075"	241.144494	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"369287"	437.290801	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"354264"	451.306451	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1497992"	255.160151	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"965173"	263.126451	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"116264"	231.115702	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"555829"	329.188852	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1025722"	133.042552	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1249673"	275.065185	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1307746"	277.121172	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1321233"	299.103129	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"916303"	309.131886	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1290824"	345.108564	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1377737"	161.133624	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1387578"	179.1436	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"295650"	393.299876	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"687341"	589.446176	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1356034"	197.153576	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"127830"	197.153576	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"571763"	295.226726	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1041655"	99.080426	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"207000"	131.771476	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"649479"	197.153576	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1169428"	66.389376	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"431973"	410.326423	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"794794"	606.472723	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1684203"	214.180123	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"333573"	205.6668495	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"733658"	303.7399995	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1486747"	107.5936995	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"403239"	415.281818	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"762051"	611.428118	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1610148"	219.135518	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"321280"	208.144547	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"710785"	306.217697	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1472623"	110.071397	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1058582"	73.71669	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1264636"	229.179786	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"388677"	431.255758	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"747486"	627.402058	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1547355"	235.109458	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"304531"	216.131517	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"695129"	314.204667	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1451867"	118.058367	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"241561"	434.326426	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1218644"	238.180126	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1199247"	119.593701	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"196491"	437.26376	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"634230"	633.41006	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1142841"	241.11746	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"181758"	219.135518	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"622410"	317.208668	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1117046"	121.062368	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1402881"	81.044004	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1442654"	243.159046	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"224694"	224.16854	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1519317"	257.21109	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"417910"	227.122488	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"774530"	325.195638	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1671954"	129.049338	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"258472"	456.308368	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1234460"	260.162068	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1721519"	260.185593	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1186521"	88.371318	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1656418"	265.140988	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"163280"	469.21164	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"603930"	665.35794	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1097195"	273.06534	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"155106"	235.109458	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"588104"	333.182608	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1076991"	137.036308	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1110199"	275.079892	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1343302"	275.167507	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1015113"	279.206676	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1532146"	280.200308	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"998592"	140.106976	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1600753"	281.114928	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1423132"	311.146438	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1150137"	160.620251	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1705158"	328.172985	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1634611"	333.12838	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1571301"	349.10232	"C12302"	"gamma-Terpinyl acetate;Cyclohexanol 1-methyl-4-(1-methylethylidene)- 1-acetate;p-Menth-4-en-1-yl acetate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"811203"	164.0837	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M"	0
"981455"	145.06531	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"72979"	108.381857333333	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"511444"	163.076424	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"883777"	53.6872906666667	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"8915"	163.076424	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"447381"	245.118274	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"821900"	81.034574	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"87367"	327.160124	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"533861"	491.243824	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"908018"	163.076424	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"58013"	344.186671	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"495390"	508.270371	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"873190"	180.102971	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"37813"	349.142066	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"478471"	513.225766	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"852991"	185.058366	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1632614"	185.058366	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"106711"	181.064763	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"547003"	263.106613	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"941854"	99.022913	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"278345"	363.136802	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"672599"	527.220502	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1286090"	199.053102	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"29739"	365.116006	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"468573"	529.199706	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"846374"	201.032306	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1564396"	201.032306	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"952279"	209.081894	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"372676"	373.165601	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"352187"	387.181251	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1498831"	223.097551	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"964189"	231.063851	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"118561"	199.053102	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"555939"	281.094952	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1031298"	117.011252	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1251968"	243.002585	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1314416"	245.058572	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1321344"	267.040529	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"911793"	277.069286	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1297496"	313.045964	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1377850"	129.071024	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1393158"	147.081	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"291751"	329.174676	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"686358"	493.258376	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1360520"	165.090976	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"130128"	165.090976	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"569687"	247.132826	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1042860"	83.049126	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"206383"	110.396409333333	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"650321"	165.090976	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1168808"	55.7018426666667	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"435003"	346.201223	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"797092"	510.284923	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1686131"	182.117523	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"336234"	173.6042495	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"734131"	255.6460995	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1487950"	91.5623995	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"405537"	351.156618	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"762162"	515.240318	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1610261"	187.072918	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"324669"	176.081947	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"713811"	258.123797	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1470911"	94.040097	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1064160"	63.0291566666667	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1268026"	197.117186	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"388787"	367.130558	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"745410"	531.214258	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1550745"	203.046858	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"312296"	184.068917	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"698156"	266.110767	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1450882"	102.027067	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"242764"	370.201226	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1215472"	206.117526	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1198264"	103.562401	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"196601"	373.13856	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"633975"	537.22226	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1137483"	209.05486	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"179681"	187.072918	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"617053"	269.114768	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1117275"	105.031068	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1400190"	70.3564706666667	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1434014"	211.096446	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"222980"	192.10594	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1511769"	225.14849	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"411454"	195.059888	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"773541"	277.101738	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1668052"	113.018038	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"256395"	392.183168	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1229831"	228.099468	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1719807"	228.122993	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1183351"	77.6837846666667	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1659810"	233.078388	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"164484"	405.08644	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"606230"	569.17014	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1099375"	241.00274	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"156685"	203.046858	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"593682"	285.088708	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1079287"	121.005008	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1112497"	243.017292	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1345601"	243.104907	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1017411"	247.144076	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1531163"	248.137708	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"1003078"	124.075676	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1593207"	249.052328	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1425429"	279.083838	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1153529"	144.588951	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1701988"	296.110385	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1636546"	301.06578	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1572197"	317.03972	"C12303"	"Phenethyl acetate;2-Phenylethyl acetate"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"816920"	116.0837	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M"	0
"984846"	97.06531	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-H2O-H"	-19.01839
"74181"	76.3818573333333	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M-3H"	-3.021828
"511554"	115.076424	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M-3H"	-3.021828
"886074"	37.6872906666667	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-3H"	-3.021828
"13036"	115.076424	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M-2H"	-2.014552
"447492"	173.118274	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M-2H"	-2.014552
"826383"	57.034574	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-2H"	-2.014552
"88570"	231.160124	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M-H"	-1.007276
"532999"	347.243824	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M-H"	-1.007276
"910310"	115.076424	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-H"	-1.007276
"58123"	248.186671	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M-2H+NH4"	16.019271
"497686"	364.270371	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M-2H+NH4"	16.019271
"868925"	132.102971	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-2H+NH4"	16.019271
"37923"	253.142066	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M-2H+Na"	20.974666
"476024"	369.225766	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M-2H+Na"	20.974666
"859659"	137.058366	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-2H+Na"	20.974666
"1620811"	137.058366	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Na-2H"	20.974666
"106822"	133.064763	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M-H+Cl"	33.962126
"549665"	191.106613	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M-H+Cl"	33.962126
"942620"	75.022913	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-H+Cl"	33.962126
"278455"	267.136802	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+Cl"	34.969402
"672345"	383.220502	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+Cl"	34.969402
"1286930"	151.053102	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Cl"	34.969402
"29850"	269.116006	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M-2H+K"	36.948606
"465405"	385.199706	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M-2H+K"	36.948606
"844298"	153.032306	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-2H+K"	36.948606
"1565600"	153.032306	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+K-2H"	36.948606
"953483"	161.081894	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-H+HCOOH"	44.998194
"370602"	277.165601	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+HCOOH-H"	44.998201
"356674"	291.181251	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+Hac-H"	59.013851
"1503318"	175.097551	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Hac-H"	59.013851
"969766"	183.063851	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-H+NaCOOH"	66.980151
"120859"	151.053102	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+2Cl"	69.938804
"561516"	209.094952	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+2Cl"	69.938804
"1033595"	93.011252	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2Cl"	69.938804
"1252078"	195.002585	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Br"	78.918885
"1312340"	197.058572	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Cl+HCOOH"	80.974872
"1323640"	219.040529	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Cl+NaCOOH"	102.956829
"914333"	229.069286	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M-H+CF3COOH"	112.985586
"1295419"	265.045964	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Cl+CF3COOH"	148.962264
"1379054"	81.071024	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H-2H2O"	-35.012676
"1393997"	99.081	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H-H2O"	-17.0027
"292228"	233.174676	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+H"	1.007276
"685375"	349.258376	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+H"	1.007276
"1359538"	117.090976	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H"	1.007276
"132425"	117.090976	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+2H"	2.014552
"571984"	175.132826	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+2H"	2.014552
"1044063"	59.049126	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2H"	2.014552
"207587"	78.3964093333333	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+3H"	3.021828
"650431"	117.090976	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+3H"	3.021828
"1168919"	39.7018426666667	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+3H"	3.021828
"436206"	250.201223	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+NH4"	18.033823
"799025"	366.284923	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+NH4"	18.033823
"1686977"	134.117523	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+NH4"	18.033823
"337439"	125.6042495	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+H+NH4"	19.041099
"736428"	183.6460995	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+H+NH4"	19.041099
"1489155"	67.5623995	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H+NH4"	19.041099
"406741"	255.156618	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+Na"	22.989218
"763368"	371.240318	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+Na"	22.989218
"1613653"	139.072918	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Na"	22.989218
"326966"	128.081947	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+H+Na"	23.996494
"713921"	186.123797	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+H+Na"	23.996494
"1469928"	70.040097	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H+Na"	23.996494
"1067309"	47.0291566666667	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2H+Na"	25.00377
"1269230"	149.117186	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+CH3OH+H"	33.033486
"386711"	271.130558	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+K"	38.963158
"753175"	387.214258	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+K"	38.963158
"1550855"	155.046858	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+K"	38.963158
"312407"	136.068917	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+H+K"	39.970434
"704827"	194.110767	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+H+K"	39.970434
"1449899"	78.027067	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H+K"	39.970434
"243968"	274.201226	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+ACN+H"	42.033826
"1215583"	158.117526	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+ACN+H"	42.033826
"1199467"	79.562401	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+ACN+2H"	43.041102
"201084"	277.13856	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+2Na-H"	44.97116
"635179"	393.22226	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+2Na-H"	44.97116
"1137593"	161.05486	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2Na-H"	44.97116
"181978"	139.072918	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+2Na"	45.978436
"616071"	197.114768	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+2Na"	45.978436
"1119571"	81.031068	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2Na"	45.978436
"1401274"	54.3564706666667	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H+2Na"	46.985712
"1431208"	163.096446	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H+HCOOH"	47.012746
"223818"	144.10594	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+3H2O+2H"	56.04448
"1510786"	177.14849	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+IsoProp+H"	61.06479
"412292"	147.059888	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+Na+K"	61.952376
"773650"	205.101738	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+Na+K"	61.952376
"1668161"	89.018038	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Na+K"	61.952376
"255412"	296.183168	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+ACN+Na"	64.015768
"1229213"	180.099468	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+ACN+Na"	64.015768
"1720283"	180.122993	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+NH4+HCOOH"	64.039293
"1185647"	61.6837846666667	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+3Na"	68.967654
"1661013"	185.078388	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Na+HCOOH"	68.994688
"167874"	309.08644	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+2K-H"	76.91904
"609620"	425.17014	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+2K-H"	76.91904
"1097415"	193.00274	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2K-H"	76.91904
"155211"	155.046858	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"2M+2K"	77.926316
"595865"	213.088708	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"3M+2K"	77.926316
"1083536"	97.005008	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2K"	77.926316
"1115408"	195.017292	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2K+H"	78.933592
"1350699"	195.104907	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+DMSO+H"	79.021207
"1019710"	199.144076	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2ACN+H"	83.060376
"1539056"	200.137708	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+IsoProp+Na+H"	84.054008
"1002096"	100.075676	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+2ACN+2H"	84.067652
"1596598"	201.052328	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+K+HCOOH"	84.968628
"1424446"	231.083838	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+H+CF3COOH"	115.000138
"1155826"	120.588951	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+3ACN+2H"	125.094202
"1702099"	248.110385	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+NH4+CF3COOH"	132.026685
"1637749"	253.06578	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+Na+CF3COOH"	136.98208
"1574494"	269.03972	"C12304"	"Butyl acetate;n-Butyl acetate"	"C6H12O2"	"116.0837"	"M+K+CF3COOH"	152.95602
"808143"	152.0473	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M"	0
"979488"	133.02891	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"65543"	100.357590666667	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"511664"	151.040024	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"881080"	49.6751573333333	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"5854"	151.040024	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"442134"	227.063674	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"818840"	75.016374	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"88680"	303.087324	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"532621"	455.134624	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"908234"	151.040024	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"57140"	320.113871	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"492329"	472.161171	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"867576"	168.066571	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"38397"	325.069266	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"475770"	477.116566	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"859769"	173.021966	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1624201"	173.021966	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"96356"	169.028363	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"548682"	245.052013	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"942198"	93.004713	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"277472"	339.064002	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"672453"	491.111302	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1285583"	187.016702	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"30325"	341.043206	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"465515"	493.090506	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"845502"	188.995906	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1566804"	188.995906	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"951405"	197.045494	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"369620"	349.092801	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"356786"	363.108451	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1503429"	211.061151	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"969878"	219.027451	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"115502"	187.016702	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"561626"	263.040352	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1032612"	110.993052	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1248908"	230.966185	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1311357"	233.022172	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1329945"	255.004129	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"912254"	265.032886	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1293342"	301.009564	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1379164"	117.034624	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1393378"	135.0446	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"291973"	305.101876	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"684392"	457.149176	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1361471"	153.054576	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"132535"	153.054576	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"572094"	229.078226	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1041985"	77.030926	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"206968"	102.372142666667	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"647985"	153.054576	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1164651"	51.6897093333333	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"429754"	322.128423	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"797313"	474.175723	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1687087"	170.081123	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"336456"	161.5678495	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"736538"	237.5914995	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1489266"	85.5441995	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"404664"	327.083818	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"763479"	479.131118	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1613763"	175.036518	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"327076"	164.045547	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"714031"	240.069197	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1470038"	88.021897	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1067540"	59.0170233333333	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1268247"	185.080786	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"386821"	343.057758	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"753043"	495.105058	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1549872"	191.010458	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"309237"	172.032517	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"702751"	248.056167	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1448915"	96.008867	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"244078"	346.128426	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1212413"	194.081126	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1197389"	97.544201	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"194635"	349.06576	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"631280"	501.11306	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1136610"	197.01846	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"179900"	175.036518	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"617274"	251.060168	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1117859"	99.012868	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1400049"	66.3443373333333	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1433140"	199.060046	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"223928"	180.06954	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1511260"	213.11209	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"410945"	183.023488	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"773764"	259.047138	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1670096"	106.999838	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"255522"	368.110368	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1229323"	216.063068	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1718207"	216.086593	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1187941"	73.6716513333333	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1652366"	221.041988	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"162510"	381.01364	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"609730"	533.06094	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1097525"	228.96634	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"156293"	191.010458	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"596460"	267.034108	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1083808"	114.986808	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1115523"	230.980892	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1351051"	231.068507	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1019699"	235.107676	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1539816"	236.101308	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1002206"	118.057476	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1596707"	237.015928	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1423462"	267.047438	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1155936"	138.570751	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1702209"	284.073985	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1634579"	289.02938	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1574604"	305.00332	"C12305"	"Methyl salicylate;Methyl 2-hydroxybenzoate"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"808253"	196.1463	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M"	0
"978505"	177.12791	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-H2O-H"	-19.01839
"65653"	129.756924	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M-3H"	-3.021828
"511774"	195.139024	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M-3H"	-3.021828
"884106"	64.374824	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-3H"	-3.021828
"4871"	195.139024	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M-2H"	-2.014552
"442608"	293.212174	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M-2H"	-2.014552
"819678"	97.065874	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-2H"	-2.014552
"88790"	391.285324	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M-H"	-1.007276
"533218"	587.431624	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M-H"	-1.007276
"908344"	195.139024	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-H"	-1.007276
"59316"	408.311871	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M-2H+NH4"	16.019271
"495719"	604.458171	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M-2H+NH4"	16.019271
"866958"	212.165571	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-2H+NH4"	16.019271
"41423"	413.267266	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M-2H+Na"	20.974666
"478796"	609.413566	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M-2H+Na"	20.974666
"859879"	217.120966	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-2H+Na"	20.974666
"1620667"	217.120966	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Na-2H"	20.974666
"96102"	213.127363	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M-H+Cl"	33.962126
"540036"	311.200513	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M-H+Cl"	33.962126
"927514"	115.054213	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-H+Cl"	33.962126
"267610"	427.262002	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+Cl"	34.969402
"670377"	623.408302	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+Cl"	34.969402
"1286422"	231.115702	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Cl"	34.969402
"28249"	429.241206	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M-2H+K"	36.948606
"467812"	625.387506	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M-2H+K"	36.948606
"846341"	233.094906	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-2H+K"	36.948606
"1568007"	233.094906	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+K-2H"	36.948606
"951515"	241.144494	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-H+HCOOH"	44.998194
"368638"	437.290801	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+HCOOH-H"	44.998201
"357989"	451.306451	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+Hac-H"	59.013851
"1503539"	255.160151	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Hac-H"	59.013851
"966707"	263.126451	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-H+NaCOOH"	66.980151
"116340"	231.115702	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+2Cl"	69.938804
"561736"	329.188852	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+2Cl"	69.938804
"1031629"	133.042552	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2Cl"	69.938804
"1246830"	275.065185	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Br"	78.918885
"1308186"	277.121172	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Cl+HCOOH"	80.974872
"1323495"	299.103129	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Cl+NaCOOH"	102.956829
"911400"	309.131886	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M-H+CF3COOH"	112.985586
"1293816"	345.108564	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Cl+CF3COOH"	148.962264
"1374898"	161.133624	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H-2H2O"	-35.012676
"1390206"	179.1436	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H-H2O"	-17.0027
"294634"	393.299876	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+H"	1.007276
"687782"	589.446176	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+H"	1.007276
"1361944"	197.153576	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H"	1.007276
"133739"	197.153576	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+2H"	2.014552
"571112"	295.226726	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+2H"	2.014552
"1041002"	99.080426	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2H"	2.014552
"206715"	131.771476	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+3H"	3.021828
"647731"	197.153576	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+3H"	3.021828
"1164032"	66.389376	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+3H"	3.021828
"428767"	410.326423	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+NH4"	18.033823
"794141"	606.472723	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+NH4"	18.033823
"1690475"	214.180123	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+NH4"	18.033823
"332191"	205.6668495	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+H+NH4"	19.041099
"735555"	303.7399995	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+H+NH4"	19.041099
"1488281"	107.5936995	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H+NH4"	19.041099
"405867"	415.281818	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+Na"	22.989218
"763588"	611.428118	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+Na"	22.989218
"1612779"	219.135518	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Na"	22.989218
"327915"	208.144547	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+H+Na"	23.996494
"714141"	306.217697	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+H+Na"	23.996494
"1470148"	110.071397	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H+Na"	23.996494
"1064491"	73.71669	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2H+Na"	25.00377
"1267264"	229.179786	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+CH3OH+H"	33.033486
"389118"	431.255758	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+K"	38.963158
"750115"	627.402058	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+K"	38.963158
"1549982"	235.109458	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+K"	38.963158
"309347"	216.131517	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+H+K"	39.970434
"702860"	314.204667	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+H+K"	39.970434
"1452305"	118.058367	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H+K"	39.970434
"245281"	434.326426	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+ACN+H"	42.033826
"1213616"	238.180126	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+ACN+H"	42.033826
"1197499"	119.593701	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+ACN+2H"	43.041102
"192556"	437.26376	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+2Na-H"	44.97116
"632119"	633.41006	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+2Na-H"	44.97116
"1135625"	241.11746	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2Na-H"	44.97116
"177823"	219.135518	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+2Na"	45.978436
"614831"	317.208668	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+2Na"	45.978436
"1117240"	121.062368	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2Na"	45.978436
"1398945"	81.044004	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H+2Na"	46.985712
"1434345"	243.159046	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H+HCOOH"	47.012746
"225131"	224.16854	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+3H2O+2H"	56.04448
"1511370"	257.21109	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+IsoProp+H"	61.06479
"411784"	227.122488	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+Na+K"	61.952376
"773874"	325.195638	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+Na+K"	61.952376
"1668019"	129.049338	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Na+K"	61.952376
"256725"	456.308368	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+ACN+Na"	64.015768
"1230160"	260.162068	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+ACN+Na"	64.015768
"1718317"	260.185593	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+NH4+HCOOH"	64.039293
"1184771"	88.371318	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+3Na"	68.967654
"1652476"	265.140988	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Na+HCOOH"	68.994688
"162620"	469.21164	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+2K-H"	76.91904
"608744"	665.35794	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+2K-H"	76.91904
"1098728"	273.06534	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2K-H"	76.91904
"156890"	235.109458	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"2M+2K"	77.926316
"597008"	333.182608	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"3M+2K"	77.926316
"1083875"	137.036308	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2K"	77.926316
"1111733"	275.079892	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2K+H"	78.933592
"1350063"	275.167507	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+DMSO+H"	79.021207
"1019930"	279.206676	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2ACN+H"	83.060376
"1539520"	280.200308	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+IsoProp+Na+H"	84.054008
"1002316"	140.106976	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+2ACN+2H"	84.067652
"1596817"	281.114928	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+K+HCOOH"	84.968628
"1423572"	311.146438	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+H+CF3COOH"	115.000138
"1154952"	160.620251	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+3ACN+2H"	125.094202
"1702319"	328.172985	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+NH4+CF3COOH"	132.026685
"1636146"	333.12838	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+Na+CF3COOH"	136.98208
"1575807"	349.10232	"C12306"	"Allyl cyclohexylpropionate;2-Propenyl 3-cyclohexylpropanoate"	"C12H20O2"	"196.1463"	"M+K+CF3COOH"	152.95602
"808363"	156.1514	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M"	0
"979708"	137.13301	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-H2O-H"	-19.01839
"71230"	103.093657333333	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M-3H"	-3.021828
"515164"	155.144124	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M-3H"	-3.021828
"889685"	51.0431906666667	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-3H"	-3.021828
"1700"	155.144124	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M-2H"	-2.014552
"442716"	233.219824	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M-2H"	-2.014552
"820517"	77.068424	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-2H"	-2.014552
"88900"	311.295524	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M-H"	-1.007276
"531384"	467.446924	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M-H"	-1.007276
"909063"	155.144124	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-H"	-1.007276
"60641"	328.322071	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M-2H+NH4"	16.019271
"499109"	484.473471	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M-2H+NH4"	16.019271
"872536"	172.170671	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-2H+NH4"	16.019271
"42627"	333.277466	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M-2H+Na"	20.974666
"482186"	489.428866	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M-2H+Na"	20.974666
"858897"	177.126066	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-2H+Na"	20.974666
"1624057"	177.126066	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Na-2H"	20.974666
"99492"	173.132463	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M-H+Cl"	33.962126
"542333"	251.208163	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M-H+Cl"	33.962126
"932566"	95.056763	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-H+Cl"	33.962126
"272217"	347.272202	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+Cl"	34.969402
"670119"	503.423602	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+Cl"	34.969402
"1283616"	191.120802	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Cl"	34.969402
"27263"	349.251406	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M-2H+K"	36.948606
"465005"	505.402806	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M-2H+K"	36.948606
"845722"	193.100006	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-2H+K"	36.948606
"1563744"	193.100006	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+K-2H"	36.948606
"951626"	201.149594	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-H+HCOOH"	44.998194
"368018"	357.301001	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+HCOOH-H"	44.998201
"359193"	371.316651	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+Hac-H"	59.013851
"1502556"	215.165251	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Hac-H"	59.013851
"970099"	223.131551	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-H+NaCOOH"	66.980151
"120098"	191.120802	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+2Cl"	69.938804
"561846"	269.196502	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+2Cl"	69.938804
"1029552"	113.045102	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2Cl"	69.938804
"1244389"	235.070285	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Br"	78.918885
"1307203"	237.126272	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Cl+HCOOH"	80.974872
"1321783"	259.108229	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Cl+NaCOOH"	102.956829
"911986"	269.136986	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M-H+CF3COOH"	112.985586
"1293925"	305.113664	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Cl+CF3COOH"	148.962264
"1375008"	121.138724	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H-2H2O"	-35.012676
"1389223"	139.1487	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H-H2O"	-17.0027
"291099"	313.310076	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+H"	1.007276
"684612"	469.461476	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+H"	1.007276
"1360961"	157.158676	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H"	1.007276
"129476"	157.158676	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+2H"	2.014552
"567941"	235.234376	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+2H"	2.014552
"1038560"	79.082976	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2H"	2.014552
"205732"	105.108209333333	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+3H"	3.021828
"645653"	157.158676	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+3H"	3.021828
"1164504"	53.0577426666667	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+3H"	3.021828
"426325"	330.336623	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+NH4"	18.033823
"795344"	486.488023	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+NH4"	18.033823
"1690585"	174.185223	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+NH4"	18.033823
"334487"	165.6719495	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+H+NH4"	19.041099
"736031"	243.7476495	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+H+NH4"	19.041099
"1488392"	87.5962495	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H+NH4"	19.041099
"405978"	335.292018	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+Na"	22.989218
"764792"	491.443418	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+Na"	22.989218
"1616170"	179.140618	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Na"	22.989218
"329488"	168.149647	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+H+Na"	23.996494
"716438"	246.225347	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+H+Na"	23.996494
"1472445"	90.073947	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H+Na"	23.996494
"1065694"	60.3850566666667	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2H+Na"	25.00377
"1269560"	189.184886	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+CH3OH+H"	33.033486
"391661"	351.265958	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+K"	38.963158
"750225"	507.417358	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+K"	38.963158
"1550094"	195.114558	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+K"	38.963158
"307269"	176.136617	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+H+K"	39.970434
"701877"	254.212317	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+H+K"	39.970434
"1453509"	98.060917	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H+K"	39.970434
"243203"	354.336626	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+ACN+H"	42.033826
"1214090"	198.185226	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+ACN+H"	42.033826
"1197610"	99.596251	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+ACN+2H"	43.041102
"193764"	357.27396	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+2Na-H"	44.97116
"632594"	513.42536	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+2Na-H"	44.97116
"1135007"	201.12256	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2Na-H"	44.97116
"180120"	179.140618	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+2Na"	45.978436
"615306"	257.216318	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+2Na"	45.978436
"1117353"	101.064918	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2Na"	45.978436
"1401242"	67.7123706666667	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H+2Na"	46.985712
"1434454"	203.164146	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H+HCOOH"	47.012746
"223054"	184.17364	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+3H2O+2H"	56.04448
"1509293"	217.21619	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+IsoProp+H"	61.06479
"414083"	187.127588	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+Na+K"	61.952376
"773985"	265.203288	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+Na+K"	61.952376
"1672504"	109.051888	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Na+K"	61.952376
"260118"	376.318568	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+ACN+Na"	64.015768
"1235378"	220.167168	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+ACN+Na"	64.015768
"1720254"	220.190693	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+NH4+HCOOH"	64.039293
"1184883"	75.0396846666667	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+3Na"	68.967654
"1658422"	225.146088	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Na+HCOOH"	68.994688
"163823"	389.22184	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+2K-H"	76.91904
"601195"	545.37324	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+2K-H"	76.91904
"1087890"	233.07044	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2K-H"	76.91904
"143613"	195.114558	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"2M+2K"	77.926316
"595830"	273.190258	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"3M+2K"	77.926316
"1083663"	117.038858	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2K"	77.926316
"1111844"	235.084992	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2K+H"	78.933592
"1349931"	235.172607	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+DMSO+H"	79.021207
"1017853"	239.211776	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2ACN+H"	83.060376
"1539874"	240.205408	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+IsoProp+Na+H"	84.054008
"1002426"	120.109526	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+2ACN+2H"	84.067652
"1598021"	241.120028	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+K+HCOOH"	84.968628
"1423682"	271.151538	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+H+CF3COOH"	115.000138
"1153969"	140.622801	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+3ACN+2H"	125.094202
"1705709"	288.178085	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+NH4+CF3COOH"	132.026685
"1641358"	293.13348	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+Na+CF3COOH"	136.98208
"1573730"	309.10742	"C12307"	"Decanal;1-Decanal"	"C10H20O"	"156.1514"	"M+K+CF3COOH"	152.95602
"808473"	346.178	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M"	0
"980911"	327.15961	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-H2O-H"	-19.01839
"71340"	229.778057333333	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M-3H"	-3.021828
"508713"	345.170724	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M-3H"	-3.021828
"884327"	114.385390666667	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-3H"	-3.021828
"3267"	345.170724	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M-2H"	-2.014552
"443556"	518.259724	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M-2H"	-2.014552
"822449"	172.081724	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-2H"	-2.014552
"90103"	691.348724	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M-H"	-1.007276
"527473"	1037.526724	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M-H"	-1.007276
"909657"	345.170724	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-H"	-1.007276
"60751"	708.375271	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M-2H+NH4"	16.019271
"499219"	1054.553271	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M-2H+NH4"	16.019271
"869730"	362.197271	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-2H+NH4"	16.019271
"36537"	713.330666	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M-2H+Na"	20.974666
"482296"	1059.508666	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M-2H+Na"	20.974666
"862286"	367.152666	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-2H+Na"	20.974666
"1624167"	367.152666	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Na-2H"	20.974666
"100695"	363.159063	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M-H+Cl"	33.962126
"541349"	536.248063	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M-H+Cl"	33.962126
"933769"	190.070063	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-H+Cl"	33.962126
"272326"	727.325402	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+Cl"	34.969402
"669866"	1073.503402	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+Cl"	34.969402
"1281539"	381.147402	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Cl"	34.969402
"28466"	729.304606	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M-2H+K"	36.948606
"466938"	1075.482606	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M-2H+K"	36.948606
"845468"	383.126606	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-2H+K"	36.948606
"1564947"	383.126606	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+K-2H"	36.948606
"951737"	391.176194	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-H+HCOOH"	44.998194
"369223"	737.354201	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+HCOOH-H"	44.998201
"353836"	751.369851	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+Hac-H"	59.013851
"1501573"	405.191851	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Hac-H"	59.013851
"966928"	413.158151	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-H+NaCOOH"	66.980151
"120207"	381.147402	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+2Cl"	69.938804
"559771"	554.236402	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+2Cl"	69.938804
"1032941"	208.058402	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2Cl"	69.938804
"1244499"	425.096885	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Br"	78.918885
"1307677"	427.152872	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Cl+HCOOH"	80.974872
"1321893"	449.134829	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Cl+NaCOOH"	102.956829
"912219"	459.163586	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M-H+CF3COOH"	112.985586
"1293671"	495.140264	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Cl+CF3COOH"	148.962264
"1374025"	311.165324	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H-2H2O"	-35.012676
"1389333"	329.1753	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H-H2O"	-17.0027
"290115"	693.363276	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+H"	1.007276
"679255"	1039.541276	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+H"	1.007276
"1357790"	347.185276	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H"	1.007276
"127759"	347.185276	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+2H"	2.014552
"568777"	520.274276	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+2H"	2.014552
"1038423"	174.096276	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2H"	2.014552
"208025"	231.792609333333	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+3H"	3.021828
"647948"	347.185276	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+3H"	3.021828
"1164975"	116.399942666667	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+3H"	3.021828
"428255"	710.389823	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+NH4"	18.033823
"787431"	1056.567823	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+NH4"	18.033823
"1690695"	364.211823	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+NH4"	18.033823
"336783"	355.6985495	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+H+NH4"	19.041099
"735776"	528.7875495	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+H+NH4"	19.041099
"1489595"	182.6095495	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H+NH4"	19.041099
"407060"	715.345218	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+Na"	22.989218
"765995"	1061.523218	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+Na"	22.989218
"1617252"	369.167218	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Na"	22.989218
"327770"	358.176247	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+H+Na"	23.996494
"719828"	531.265247	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+H+Na"	23.996494
"1473648"	185.087247	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H+Na"	23.996494
"1067385"	123.727256666667	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2H+Na"	25.00377
"1271614"	379.211486	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+CH3OH+H"	33.033486
"389338"	731.319158	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+K"	38.963158
"751066"	1077.497158	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+K"	38.963158
"1546924"	385.141158	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+K"	38.963158
"305192"	366.163217	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+H+K"	39.970434
"699803"	539.252217	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+H+K"	39.970434
"1451433"	193.074217	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H+K"	39.970434
"243315"	734.389826	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+ACN+H"	42.033826
"1213106"	388.211826	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+ACN+H"	42.033826
"1196627"	194.609551	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+ACN+2H"	43.041102
"193874"	737.32716	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+2Na-H"	44.97116
"632340"	1083.50516	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+2Na-H"	44.97116
"1135117"	391.14916	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2Na-H"	44.97116
"175125"	369.167218	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+2Na"	45.978436
"616143"	542.256218	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+2Na"	45.978436
"1120019"	196.078218	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2Na"	45.978436
"1400620"	131.054570666667	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H+2Na"	46.985712
"1430587"	393.190746	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H+HCOOH"	47.012746
"221702"	374.20024	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+3H2O+2H"	56.04448
"1509156"	407.24279	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+IsoProp+H"	61.06479
"410910"	377.154188	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+Na+K"	61.952376
"771176"	550.243188	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+Na+K"	61.952376
"1668602"	204.065188	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Na+K"	61.952376
"256217"	756.371768	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+ACN+Na"	64.015768
"1230382"	410.193768	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+ACN+Na"	64.015768
"1718539"	410.217293	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+NH4+HCOOH"	64.039293
"1183900"	138.381884666667	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+3Na"	68.967654
"1655978"	415.172688	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Na+HCOOH"	68.994688
"163933"	769.27504	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+2K-H"	76.91904
"601305"	1115.45304	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+2K-H"	76.91904
"1088000"	423.09704	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2K-H"	76.91904
"144816"	385.141158	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"2M+2K"	77.926316
"583403"	558.230158	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"3M+2K"	77.926316
"1078738"	212.052158	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2K"	77.926316
"1110859"	425.111592	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2K+H"	78.933592
"1345057"	425.199207	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+DMSO+H"	79.021207
"1016870"	429.238376	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2ACN+H"	83.060376
"1539374"	430.232008	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+IsoProp+Na+H"	84.054008
"1004968"	215.122826	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+2ACN+2H"	84.067652
"1598131"	431.146628	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+K+HCOOH"	84.968628
"1423792"	461.178138	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+H+CF3COOH"	115.000138
"1154079"	235.636101	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+3ACN+2H"	125.094202
"1709099"	478.204685	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+NH4+CF3COOH"	132.026685
"1641468"	483.16008	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+Na+CF3COOH"	136.98208
"1573840"	499.13402	"C12308"	"Gibberellin A44;Gibberellin 44"	"C20H26O5"	"346.178"	"M+K+CF3COOH"	152.95602
"811864"	652.1958	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M"	0
"978836"	633.17741	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-H2O-H"	-19.01839
"70357"	433.789924	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M-3H"	-3.021828
"503010"	651.188524	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M-3H"	-3.021828
"887721"	216.391324	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-3H"	-3.021828
"7390"	651.188524	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M-2H"	-2.014552
"444763"	977.286424	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M-2H"	-2.014552
"822568"	325.090624	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-2H"	-2.014552
"85839"	1303.384324	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M-H"	-1.007276
"534037"	1955.580124	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M-H"	-1.007276
"911237"	651.188524	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-H"	-1.007276
"55395"	1320.410871	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M-2H+NH4"	16.019271
"492767"	1972.606671	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M-2H+NH4"	16.019271
"868018"	668.215071	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-2H+NH4"	16.019271
"46986"	1325.366266	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M-2H+Na"	20.974666
"485689"	1977.562066	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M-2H+Na"	20.974666
"859120"	673.170466	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-2H+Na"	20.974666
"1624279"	673.170466	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Na-2H"	20.974666
"95338"	669.176863	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M-H+Cl"	33.962126
"539272"	995.274763	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M-H+Cl"	33.962126
"931696"	343.078963	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-H+Cl"	33.962126
"281077"	1339.361002	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+Cl"	34.969402
"670339"	1991.556802	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+Cl"	34.969402
"1281649"	687.165202	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Cl"	34.969402
"26392"	1341.340206	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M-2H+K"	36.948606
"464860"	1993.536006	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M-2H+K"	36.948606
"843027"	689.144406	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-2H+K"	36.948606
"1567243"	689.144406	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+K-2H"	36.948606
"951845"	697.193994	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-H+HCOOH"	44.998194
"370060"	1349.389801	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+HCOOH-H"	44.998201
"356128"	1363.405451	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+Hac-H"	59.013851
"1500957"	711.209651	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Hac-H"	59.013851
"968132"	719.175951	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-H+NaCOOH"	66.980151
"120322"	687.165202	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+2Cl"	69.938804
"557695"	1013.263102	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+2Cl"	69.938804
"1028682"	361.067302	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2Cl"	69.938804
"1247164"	731.114685	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Br"	78.918885
"1308152"	733.170672	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Cl+HCOOH"	80.974872
"1327108"	755.152629	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Cl+NaCOOH"	102.956829
"914520"	765.181386	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M-H+CF3COOH"	112.985586
"1295974"	801.158064	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Cl+CF3COOH"	148.962264
"1375230"	617.183124	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H-2H2O"	-35.012676
"1388352"	635.1931	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H-H2O"	-17.0027
"284877"	1305.398876	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+H"	1.007276
"677907"	1957.594676	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+H"	1.007276
"1354620"	653.203076	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H"	1.007276
"129696"	653.203076	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+2H"	2.014552
"569620"	979.300976	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+2H"	2.014552
"1040240"	327.105176	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2H"	2.014552
"206313"	435.804476	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+3H"	3.021828
"644531"	653.203076	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+3H"	3.021828
"1164732"	218.405876	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+3H"	3.021828
"435663"	1322.425423	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+NH4"	18.033823
"792287"	1974.621223	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+NH4"	18.033823
"1685701"	670.229623	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+NH4"	18.033823
"345537"	661.7163495	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+H+NH4"	19.041099
"736980"	987.8142495	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+H+NH4"	19.041099
"1490801"	335.6184495	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H+NH4"	19.041099
"406930"	1327.380818	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+Na"	22.989218
"766104"	1979.576618	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+Na"	22.989218
"1618091"	675.185018	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Na"	22.989218
"327518"	664.194047	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+H+Na"	23.996494
"718845"	990.291947	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+H+Na"	23.996494
"1476602"	338.096147	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H+Na"	23.996494
"1067008"	225.73319	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2H+Na"	25.00377
"1271603"	685.229286	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+CH3OH+H"	33.033486
"392535"	1343.354758	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+K"	38.963158
"750450"	1995.550558	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+K"	38.963158
"1547034"	691.158958	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+K"	38.963158
"307490"	672.181017	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+H+K"	39.970434
"701006"	998.278917	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+H+K"	39.970434
"1459199"	346.083117	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H+K"	39.970434
"240147"	1346.425426	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+ACN+H"	42.033826
"1216134"	694.229626	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+ACN+H"	42.033826
"1197832"	347.618451	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+ACN+2H"	43.041102
"193985"	1349.36276	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+2Na-H"	44.97116
"632451"	2001.55856	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+2Na-H"	44.97116
"1133770"	697.16696	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2Na-H"	44.97116
"174871"	675.185018	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+2Na"	45.978436
"615522"	1001.282918	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+2Na"	45.978436
"1117210"	349.087118	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2Na"	45.978436
"1400003"	233.060504	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H+2Na"	46.985712
"1430538"	699.208546	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H+HCOOH"	47.012746
"220476"	680.21804	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+3H2O+2H"	56.04448
"1509877"	713.26059	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+IsoProp+H"	61.06479
"411021"	683.171988	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+Na+K"	61.952376
"772016"	1009.269888	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+Na+K"	61.952376
"1668350"	357.074088	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Na+K"	61.952376
"254504"	1368.407368	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+ACN+Na"	64.015768
"1230128"	716.211568	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+ACN+Na"	64.015768
"1717562"	716.235093	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+NH4+HCOOH"	64.039293
"1184010"	240.387818	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+3Na"	68.967654
"1654996"	721.190488	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Na+HCOOH"	68.994688
"160762"	1381.31064	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+2K-H"	76.91904
"602507"	2033.50644	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+2K-H"	76.91904
"1090297"	729.11484	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2K-H"	76.91904
"143839"	691.158958	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"2M+2K"	77.926316
"591061"	1017.256858	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"3M+2K"	77.926316
"1082505"	365.061058	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2K"	77.926316
"1114252"	731.129392	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2K+H"	78.933592
"1347357"	731.217007	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+DMSO+H"	79.021207
"1021121"	735.256176	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2ACN+H"	83.060376
"1539120"	736.249808	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+IsoProp+Na+H"	84.054008
"1000460"	368.131726	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+2ACN+2H"	84.067652
"1598244"	737.164428	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+K+HCOOH"	84.968628
"1422807"	767.195938	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+H+CF3COOH"	115.000138
"1155286"	388.645001	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+3ACN+2H"	125.094202
"1700463"	784.222485	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+NH4+CF3COOH"	132.026685
"1643769"	789.17788	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+Na+CF3COOH"	136.98208
"1578327"	805.15182	"C12310"	"Esmeraldin B"	"C38H28N4O7"	"652.1958"	"M+K+CF3COOH"	152.95602
"816229"	402.1216	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M"	0
"985507"	383.10321	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-H2O-H"	-19.01839
"73748"	267.073790666667	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M-3H"	-3.021828
"505653"	401.114324	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M-3H"	-3.021828
"887831"	133.033257333333	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-3H"	-3.021828
"7500"	401.114324	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M-2H"	-2.014552
"445966"	602.175124	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M-2H"	-2.014552
"818426"	200.053524	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-2H"	-2.014552
"80482"	803.235924	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M-H"	-1.007276
"533784"	1205.357524	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M-H"	-1.007276
"909757"	401.114324	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-H"	-1.007276
"55505"	820.262471	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M-2H+NH4"	16.019271
"491054"	1222.384071	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M-2H+NH4"	16.019271
"866305"	418.140871	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-2H+NH4"	16.019271
"45145"	825.217866	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M-2H+Na"	20.974666
"485799"	1227.339466	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M-2H+Na"	20.974666
"857043"	423.096266	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-2H+Na"	20.974666
"1621109"	423.096266	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Na-2H"	20.974666
"95327"	419.102663	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M-H+Cl"	33.962126
"538287"	620.163463	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M-H+Cl"	33.962126
"929619"	218.041863	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-H+Cl"	33.962126
"280575"	839.212602	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+Cl"	34.969402
"671905"	1241.334202	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+Cl"	34.969402
"1281759"	437.091002	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Cl"	34.969402
"25409"	841.191806	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M-2H+K"	36.948606
"467885"	1243.313406	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M-2H+K"	36.948606
"846053"	439.070206	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-2H+K"	36.948606
"1568447"	439.070206	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+K-2H"	36.948606
"955237"	447.119794	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-H+HCOOH"	44.998194
"369078"	849.241401	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+HCOOH-H"	44.998201
"352597"	863.257051	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+Hac-H"	59.013851
"1501794"	461.135451	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Hac-H"	59.013851
"968242"	469.101751	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-H+NaCOOH"	66.980151
"117882"	437.091002	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+2Cl"	69.938804
"558898"	638.151802	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+2Cl"	69.938804
"1029154"	236.030202	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2Cl"	69.938804
"1247638"	481.040485	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Br"	78.918885
"1310815"	483.096472	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Cl+HCOOH"	80.974872
"1327218"	505.078429	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Cl+NaCOOH"	102.956829
"920464"	515.107186	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M-H+CF3COOH"	112.985586
"1297177"	551.083864	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Cl+CF3COOH"	148.962264
"1377526"	367.108924	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H-2H2O"	-35.012676
"1389556"	385.1189	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H-H2O"	-17.0027
"286325"	805.250476	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+H"	1.007276
"676233"	1207.372076	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+H"	1.007276
"1358010"	403.128876	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H"	1.007276
"130170"	403.128876	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+2H"	2.014552
"565700"	604.189676	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+2H"	2.014552
"1038528"	202.068076	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2H"	2.014552
"205208"	269.088342666667	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+3H"	3.021828
"645126"	403.128876	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+3H"	3.021828
"1164479"	135.047809333333	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+3H"	3.021828
"425566"	822.277023	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+NH4"	18.033823
"786559"	1224.398623	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+NH4"	18.033823
"1684717"	420.155423	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+NH4"	18.033823
"345036"	411.6421495	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+H+NH4"	19.041099
"734903"	612.7029495	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+H+NH4"	19.041099
"1488721"	210.5813495	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H+NH4"	19.041099
"408132"	827.232418	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+Na"	22.989218
"769698"	1229.354018	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+Na"	22.989218
"1618361"	425.110818	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Na"	22.989218
"328723"	414.119847	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+H+Na"	23.996494
"718955"	615.180647	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+H+Na"	23.996494
"1476995"	213.059047	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H+Na"	23.996494
"1068173"	142.375123333333	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2H+Na"	25.00377
"1272631"	435.155086	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+CH3OH+H"	33.033486
"392119"	843.206358	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+K"	38.963158
"748371"	1245.327958	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+K"	38.963158
"1548237"	441.084758	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+K"	38.963158
"308695"	422.106817	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+H+K"	39.970434
"700023"	623.167617	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+H+K"	39.970434
"1458945"	221.046017	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H+K"	39.970434
"239163"	846.277026	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+ACN+H"	42.033826
"1216246"	444.155426	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+ACN+H"	42.033826
"1198306"	222.581351	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+ACN+2H"	43.041102
"194095"	849.21436	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+2Na-H"	44.97116
"632925"	1251.33596	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+2Na-H"	44.97116
"1135338"	447.09276	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2Na-H"	44.97116
"177172"	425.110818	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+2Na"	45.978436
"614175"	626.171618	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+2Na"	45.978436
"1116712"	224.050018	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2Na"	45.978436
"1398572"	149.702437333333	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H+2Na"	46.985712
"1431625"	449.134346	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H+HCOOH"	47.012746
"220464"	430.14384	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+3H2O+2H"	56.04448
"1508668"	463.18639	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+IsoProp+H"	61.06479
"408630"	433.097788	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+Na+K"	61.952376
"770421"	634.158588	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+Na+K"	61.952376
"1668824"	232.036988	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Na+K"	61.952376
"251940"	868.258968	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+ACN+Na"	64.015768
"1227686"	466.137368	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+ACN+Na"	64.015768
"1717673"	466.160893	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+NH4+HCOOH"	64.039293
"1180107"	157.029751333333	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+3Na"	68.967654
"1655104"	471.116288	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Na+HCOOH"	68.994688
"161964"	881.16224	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+2K-H"	76.91904
"600794"	1283.28384	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+2K-H"	76.91904
"1087492"	479.04064	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2K-H"	76.91904
"142975"	441.084758	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"2M+2K"	77.926316
"591170"	642.145558	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"3M+2K"	77.926316
"1081152"	240.023958	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2K"	77.926316
"1108890"	481.055192	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2K+H"	78.933592
"1346374"	481.142807	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+DMSO+H"	79.021207
"1021070"	485.181976	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2ACN+H"	83.060376
"1539797"	486.175608	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+IsoProp+Na+H"	84.054008
"1003850"	243.094626	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+2ACN+2H"	84.067652
"1598354"	487.090228	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+K+HCOOH"	84.968628
"1422918"	517.121738	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+H+CF3COOH"	115.000138
"1156490"	263.607901	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+3ACN+2H"	125.094202
"1701666"	534.148285	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+NH4+CF3COOH"	132.026685
"1643879"	539.10368	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+Na+CF3COOH"	136.98208
"1578437"	555.07762	"C12311"	"Saphenamycin"	"C23H18N2O5"	"402.1216"	"M+K+CF3COOH"	152.95602
"808804"	133.0528	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M"	0
"987804"	114.03441	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-H2O-H"	-19.01839
"70578"	87.6945906666667	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M-3H"	-3.021828
"505763"	132.045524	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M-3H"	-3.021828
"891221"	43.3436573333333	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-3H"	-3.021828
"10890"	132.045524	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M-2H"	-2.014552
"446076"	198.571924	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M-2H"	-2.014552
"819873"	65.519124	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-2H"	-2.014552
"80592"	265.098324	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M-H"	-1.007276
"532557"	398.151124	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M-H"	-1.007276
"910719"	132.045524	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-H"	-1.007276
"55615"	282.124871	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M-2H+NH4"	16.019271
"492987"	415.177671	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M-2H+NH4"	16.019271
"869330"	149.072071	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-2H+NH4"	16.019271
"45622"	287.080266	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M-2H+Na"	20.974666
"485545"	420.133066	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M-2H+Na"	20.974666
"856060"	154.027466	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-2H+Na"	20.974666
"1621219"	154.027466	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Na-2H"	20.974666
"95194"	150.033863	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M-H+Cl"	33.962126
"535238"	216.560263	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M-H+Cl"	33.962126
"931917"	83.507463	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-H+Cl"	33.962126
"280319"	301.075002	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+Cl"	34.969402
"670552"	434.127802	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+Cl"	34.969402
"1285150"	168.022202	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Cl"	34.969402
"26610"	303.054206	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M-2H+K"	36.948606
"466172"	436.107006	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M-2H+K"	36.948606
"847986"	170.001406	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-2H+K"	36.948606
"1567463"	170.001406	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+K-2H"	36.948606
"955347"	178.050994	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-H+HCOOH"	44.998194
"372470"	311.103801	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+HCOOH-H"	44.998201
"357447"	325.119451	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+Hac-H"	59.013851
"1500812"	192.066651	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Hac-H"	59.013851
"969446"	200.032951	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-H+NaCOOH"	66.980151
"119815"	168.022202	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+2Cl"	69.938804
"561195"	234.548602	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+2Cl"	69.938804
"1032180"	101.495802	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2Cl"	69.938804
"1250664"	211.971685	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Br"	78.918885
"1310925"	214.027672	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Cl+HCOOH"	80.974872
"1328423"	236.009629	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Cl+NaCOOH"	102.956829
"918387"	246.038386	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M-H+CF3COOH"	112.985586
"1299475"	282.015064	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Cl+CF3COOH"	148.962264
"1373263"	98.040124	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H-2H2O"	-35.012676
"1386386"	116.0501	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H-H2O"	-17.0027
"282907"	267.112876	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+H"	1.007276
"679585"	400.165676	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+H"	1.007276
"1354841"	134.060076	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H"	1.007276
"129916"	134.060076	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+2H"	2.014552
"566924"	200.586476	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+2H"	2.014552
"1038029"	67.533676	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2H"	2.014552
"205806"	89.7091426666667	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+3H"	3.021828
"645117"	134.060076	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+3H"	3.021828
"1164589"	45.3582093333333	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+3H"	3.021828
"424948"	284.139423	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+NH4"	18.033823
"787033"	417.192223	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+NH4"	18.033823
"1683733"	151.086623	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+NH4"	18.033823
"343690"	142.5733495	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+H+NH4"	19.041099
"735012"	209.0997495	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+H+NH4"	19.041099
"1483363"	76.0469495	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H+NH4"	19.041099
"407516"	289.094818	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+Na"	22.989218
"768148"	422.147618	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+Na"	22.989218
"1617827"	156.042018	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Na"	22.989218
"329567"	145.051047	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+H+Na"	23.996494
"719795"	211.577447	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+H+Na"	23.996494
"1476293"	78.524647	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H+Na"	23.996494
"1068389"	52.6855233333333	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2H+Na"	25.00377
"1272712"	166.086286	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+CH3OH+H"	33.033486
"392223"	305.068758	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+K"	38.963158
"752861"	438.121558	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+K"	38.963158
"1549440"	172.015958	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+K"	38.963158
"308805"	153.038017	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+H+K"	39.970434
"706333"	219.564417	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+H+K"	39.970434
"1458326"	86.511617	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H+K"	39.970434
"246927"	308.139426	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+ACN+H"	42.033826
"1216356"	175.086626	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+ACN+H"	42.033826
"1200238"	88.046951	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+ACN+2H"	43.041102
"194205"	311.07676	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+2Na-H"	44.97116
"638139"	444.12956	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+2Na-H"	44.97116
"1138364"	178.02396	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2Na-H"	44.97116
"178375"	156.042018	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+2Na"	45.978436
"614165"	222.568418	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+2Na"	45.978436
"1116701"	89.515618	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2Na"	45.978436
"1398601"	60.0128373333333	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H+2Na"	46.985712
"1432707"	180.065546	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H+HCOOH"	47.012746
"220209"	161.07504	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+3H2O+2H"	56.04448
"1508676"	194.11759	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+IsoProp+H"	61.06479
"409420"	164.028988	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+Na+K"	61.952376
"770410"	230.555388	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+Na+K"	61.952376
"1668571"	97.502588	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Na+K"	61.952376
"251450"	330.121368	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+ACN+Na"	64.015768
"1229619"	197.068568	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+ACN+Na"	64.015768
"1717783"	197.092093	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+NH4+HCOOH"	64.039293
"1181312"	67.3401513333333	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+3Na"	68.967654
"1653392"	202.047488	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Na+HCOOH"	68.994688
"159888"	343.02464	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+2K-H"	76.91904
"599811"	476.07744	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+2K-H"	76.91904
"1088695"	209.97184	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2K-H"	76.91904
"143328"	172.015958	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"2M+2K"	77.926316
"591276"	238.542358	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"3M+2K"	77.926316
"1079070"	105.489558	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2K"	77.926316
"1109000"	211.986392	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2K+H"	78.933592
"1347577"	212.074007	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+DMSO+H"	79.021207
"1020971"	216.113176	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2ACN+H"	83.060376
"1539785"	217.106808	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+IsoProp+Na+H"	84.054008
"1004932"	108.560226	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+2ACN+2H"	84.067652
"1598464"	218.021428	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+K+HCOOH"	84.968628
"1420842"	248.052938	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+H+CF3COOH"	115.000138
"1156600"	129.073501	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+3ACN+2H"	125.094202
"1701776"	265.079485	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+NH4+CF3COOH"	132.026685
"1643989"	270.03488	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+Na+CF3COOH"	136.98208
"1578547"	286.00882	"C12312"	"Indolin-2-one"	"C8H7NO"	"133.0528"	"M+K+CF3COOH"	152.95602
"808914"	116.0837	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M"	0
"979166"	97.06531	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H2O-H"	-19.01839
"63760"	76.3818573333333	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-3H"	-3.021828
"503359"	115.076424	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-3H"	-3.021828
"890238"	37.6872906666667	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-3H"	-3.021828
"7720"	115.076424	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H"	-2.014552
"446186"	173.118274	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H"	-2.014552
"820712"	57.034574	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H"	-2.014552
"81795"	231.160124	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-H"	-1.007276
"521359"	347.243824	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-H"	-1.007276
"897701"	115.076424	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H"	-1.007276
"55725"	248.186671	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H+NH4"	16.019271
"492004"	364.270371	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H+NH4"	16.019271
"869805"	132.102971	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H+NH4"	16.019271
"44640"	253.142066	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H+Na"	20.974666
"484562"	369.225766	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H+Na"	20.974666
"857263"	137.058366	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H+Na"	20.974666
"1627889"	137.058366	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na-2H"	20.974666
"101137"	133.064763	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-H+Cl"	33.962126
"535593"	191.106613	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-H+Cl"	33.962126
"935307"	75.022913	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+Cl"	33.962126
"279338"	267.136802	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Cl"	34.969402
"672122"	383.220502	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+Cl"	34.969402
"1283802"	151.053102	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl"	34.969402
"26723"	269.116006	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M-2H+K"	36.948606
"467371"	385.199706	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M-2H+K"	36.948606
"840797"	153.032306	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-2H+K"	36.948606
"1566480"	153.032306	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K-2H"	36.948606
"953268"	161.081894	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+HCOOH"	44.998194
"371484"	277.165601	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+HCOOH-H"	44.998201
"355365"	291.181251	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Hac-H"	59.013851
"1502015"	175.097551	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Hac-H"	59.013851
"969555"	183.063851	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+NaCOOH"	66.980151
"116279"	151.053102	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2Cl"	69.938804
"556931"	209.094952	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2Cl"	69.938804
"1029008"	93.011252	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2Cl"	69.938804
"1247493"	195.002585	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Br"	78.918885
"1306295"	197.058572	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl+HCOOH"	80.974872
"1327438"	219.040529	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl+NaCOOH"	102.956829
"916309"	229.069286	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M-H+CF3COOH"	112.985586
"1299585"	265.045964	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Cl+CF3COOH"	148.962264
"1375560"	81.071024	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H-2H2O"	-35.012676
"1386860"	99.081	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H-H2O"	-17.0027
"282977"	233.174676	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H"	1.007276
"679695"	349.258376	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H"	1.007276
"1358231"	117.090976	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H"	1.007276
"130026"	117.090976	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2H"	2.014552
"568492"	175.132826	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2H"	2.014552
"1038381"	59.049126	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2H"	2.014552
"205553"	78.3964093333333	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+3H"	3.021828
"645836"	117.090976	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+3H"	3.021828
"1165064"	39.7018426666667	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+3H"	3.021828
"425784"	250.201223	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+NH4"	18.033823
"786780"	366.284923	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+NH4"	18.033823
"1683843"	134.117523	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+NH4"	18.033823
"342338"	125.6042495	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H+NH4"	19.041099
"735122"	183.6460995	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H+NH4"	19.041099
"1485660"	67.5623995	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+NH4"	19.041099
"405436"	255.156618	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Na"	22.989218
"768136"	371.240318	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+Na"	22.989218
"1617087"	139.072918	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na"	22.989218
"329072"	128.081947	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H+Na"	23.996494
"720514"	186.123797	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H+Na"	23.996494
"1475921"	70.040097	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+Na"	23.996494
"1068281"	47.0291566666667	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2H+Na"	25.00377
"1271453"	149.117186	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+CH3OH+H"	33.033486
"390876"	271.130558	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+K"	38.963158
"753457"	387.214258	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+K"	38.963158
"1548458"	155.046858	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K"	38.963158
"309281"	136.068917	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+H+K"	39.970434
"705957"	194.110767	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+H+K"	39.970434
"1459167"	78.027067	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+K"	39.970434
"248131"	274.201226	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+ACN+H"	42.033826
"1220840"	158.117526	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+ACN+H"	42.033826
"1204723"	79.562401	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+ACN+2H"	43.041102
"193221"	277.13856	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2Na-H"	44.97116
"636062"	393.22226	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2Na-H"	44.97116
"1136287"	161.05486	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2Na-H"	44.97116
"176298"	139.072918	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2Na"	45.978436
"613670"	197.114768	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2Na"	45.978436
"1116364"	81.031068	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2Na"	45.978436
"1398670"	54.3564706666667	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+2Na"	46.985712
"1430221"	163.096446	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+HCOOH"	47.012746
"220809"	144.10594	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+3H2O+2H"	56.04448
"1510329"	177.14849	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+IsoProp+H"	61.06479
"410259"	147.059888	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+Na+K"	61.952376
"771255"	205.101738	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+Na+K"	61.952376
"1670868"	89.018038	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na+K"	61.952376
"252283"	296.183168	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+ACN+Na"	64.015768
"1229001"	180.099468	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+ACN+Na"	64.015768
"1717893"	180.122993	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+NH4+HCOOH"	64.039293
"1179965"	61.6837846666667	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+3Na"	68.967654
"1653502"	185.078388	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na+HCOOH"	68.994688
"162184"	309.08644	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2K-H"	76.91904
"599557"	425.17014	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2K-H"	76.91904
"1087348"	193.00274	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2K-H"	76.91904
"144168"	155.046858	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"2M+2K"	77.926316
"590293"	213.088708	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"3M+2K"	77.926316
"1079180"	97.005008	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2K"	77.926316
"1109110"	195.017292	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2K+H"	78.933592
"1348780"	195.104907	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+DMSO+H"	79.021207
"1020836"	199.144076	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2ACN+H"	83.060376
"1539812"	200.137708	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+IsoProp+Na+H"	84.054008
"1005587"	100.075676	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+2ACN+2H"	84.067652
"1602345"	201.052328	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K+HCOOH"	84.968628
"1424232"	231.083838	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+H+CF3COOH"	115.000138
"1156710"	120.588951	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+3ACN+2H"	125.094202
"1702979"	248.110385	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+NH4+CF3COOH"	132.026685
"1644099"	253.06578	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+Na+CF3COOH"	136.98208
"1578657"	269.03972	"C12313"	"cis-12-Cyclohexanediol;cis-Cyclohexane-12-diol"	"C6H12O2"	"116.0837"	"M+K+CF3COOH"	152.95602
"809024"	130.063	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M"	0
"982556"	111.04461	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"63156"	85.7013906666667	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"503552"	129.055724	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"881235"	42.3470573333333	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"4549"	129.055724	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"442650"	194.087224	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"823009"	64.024224	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"85185"	259.118724	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"522562"	389.181724	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"900363"	129.055724	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"55835"	276.145271	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"495394"	406.208271	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"872102"	146.082271	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"34173"	281.100666	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"485765"	411.163666	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"857373"	151.037666	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1627999"	151.037666	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"99060"	147.044063	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"535339"	212.075563	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"935417"	82.012563	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"270691"	295.095402	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"666391"	425.158402	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1276608"	165.032402	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"27920"	297.074606	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"465293"	427.137606	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"839812"	167.011606	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1569870"	167.011606	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"951191"	175.061194	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"368313"	305.124201	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"356568"	319.139851	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1504310"	189.076851	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"969662"	197.043151	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"118574"	165.032402	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"559225"	230.063902	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1029118"	100.000902	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1245051"	208.981885	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1304944"	211.037872	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1324268"	233.019829	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"916419"	243.048586	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1299695"	279.025264	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1371296"	95.050324	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1385511"	113.0603	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"283615"	261.133276	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"676886"	391.196276	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1355425"	131.070276	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H"	1.007276
"129406"	131.070276	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"568966"	196.101776	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1038249"	66.038776	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"205420"	87.7159426666667	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"646311"	131.070276	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1163341"	44.3616093333333	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"427346"	278.159823	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"788344"	408.222823	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1684682"	148.096823	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"343905"	139.5835495	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"737420"	204.6150495	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1484677"	74.5520495	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"404452"	283.115218	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"768607"	413.178218	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1617929"	153.052218	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"329428"	142.061247	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"722207"	207.092747	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1476270"	77.029747	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1067906"	51.6889233333333	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1271441"	163.096486	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"390257"	299.089158	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"750891"	429.152158	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1554645"	169.026158	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+K"	38.963158
"309025"	150.048217	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"706633"	215.079717	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1457454"	85.016717	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"248241"	302.159826	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1222040"	172.096826	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1204833"	86.552051	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"193331"	305.09716	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"636172"	435.16016	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1138584"	175.03416	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"179687"	153.052218	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"613050"	218.083718	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1115905"	88.020718	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1401904"	59.0162373333333	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1430251"	177.075746	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"221527"	158.08524	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1509711"	191.12779	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"410369"	161.039188	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"771000"	226.070688	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1670978"	96.007688	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"252394"	324.141768	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1226925"	194.078768	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1721282"	194.102293	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1180075"	66.3435513333333	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1652154"	199.057688	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"161201"	337.04504	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"600760"	467.10804	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1087458"	206.98204	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"144278"	169.026158	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"590403"	234.057658	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1080383"	103.994658	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1111407"	208.996592	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1347794"	209.084207	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1018512"	213.123376	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1537729"	214.117008	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"1005496"	107.065326	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1602333"	215.031628	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1425435"	245.063138	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1160100"	127.578601	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1705277"	262.089685	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1643116"	267.04508	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1578767"	283.01902	"C12314"	"1-Oxa-2-oxo-3-hydroxycycloheptane"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"809134"	304.0583	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M"	0
"982666"	285.03991	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H2O-H"	-19.01839
"63374"	201.698257333333	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-3H"	-3.021828
"503904"	303.051024	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-3H"	-3.021828
"882074"	100.345490666667	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-3H"	-3.021828
"4660"	303.051024	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H"	-2.014552
"445313"	455.080174	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H"	-2.014552
"824213"	151.021874	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H"	-2.014552
"83473"	607.109324	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-H"	-1.007276
"522672"	911.167624	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-H"	-1.007276
"903753"	303.051024	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H"	-1.007276
"55940"	624.135871	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H+NH4"	16.019271
"493317"	928.194171	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H+NH4"	16.019271
"868932"	320.077571	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H+NH4"	16.019271
"36835"	629.091266	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H+Na"	20.974666
"485875"	933.149566	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H+Na"	20.974666
"863438"	325.032966	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H+Na"	20.974666
"1631389"	325.032966	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na-2H"	20.974666
"104637"	321.039363	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-H+Cl"	33.962126
"536541"	473.068513	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-H+Cl"	33.962126
"936620"	169.010213	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+Cl"	33.962126
"271166"	643.086002	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Cl"	34.969402
"664315"	947.144302	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+Cl"	34.969402
"1276718"	339.027702	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl"	34.969402
"23654"	645.065206	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M-2H+K"	36.948606
"461027"	949.123506	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M-2H+K"	36.948606
"838827"	341.006906	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-2H+K"	36.948606
"1558669"	341.006906	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K-2H"	36.948606
"946190"	349.056494	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+HCOOH"	44.998194
"365135"	653.114801	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+HCOOH-H"	44.998201
"352302"	667.130451	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Hac-H"	59.013851
"1504784"	363.072151	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Hac-H"	59.013851
"969772"	371.038451	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+NaCOOH"	66.980151
"121966"	339.027702	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2Cl"	69.938804
"554231"	491.056852	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2Cl"	69.938804
"1024122"	186.998552	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2Cl"	69.938804
"1243093"	382.977185	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Br"	78.918885
"1305175"	385.033172	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl+HCOOH"	80.974872
"1324378"	407.015129	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl+NaCOOH"	102.956829
"914338"	417.043886	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M-H+CF3COOH"	112.985586
"1295793"	453.020564	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Cl+CF3COOH"	148.962264
"1370673"	269.045624	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H-2H2O"	-35.012676
"1383794"	287.0556	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H-H2O"	-17.0027
"283841"	609.123876	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H"	1.007276
"676016"	913.182176	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H"	1.007276
"1351881"	305.065576	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H"	1.007276
"126829"	305.065576	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2H"	2.014552
"566551"	457.094726	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2H"	2.014552
"1037747"	153.036426	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2H"	2.014552
"206862"	203.712809333333	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+3H"	3.021828
"645811"	305.065576	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+3H"	3.021828
"1164054"	102.360042666667	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+3H"	3.021828
"428184"	626.150423	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+NH4"	18.033823
"789909"	930.208723	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+NH4"	18.033823
"1683333"	322.092123	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+NH4"	18.033823
"334162"	313.5788495	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H+NH4"	19.041099
"732061"	465.6079995	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H+NH4"	19.041099
"1482600"	161.5496995	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+NH4"	19.041099
"403469"	631.105818	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Na"	22.989218
"763370"	935.164118	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+Na"	22.989218
"1612560"	327.047518	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na"	22.989218
"329039"	316.056547	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H+Na"	23.996494
"718299"	468.085697	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H+Na"	23.996494
"1476134"	164.027397	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+Na"	23.996494
"1066460"	109.687356666667	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2H+Na"	25.00377
"1271419"	337.091786	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+CH3OH+H"	33.033486
"391825"	647.079758	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+K"	38.963158
"747720"	951.138058	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+K"	38.963158
"1551959"	343.021458	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K"	38.963158
"309134"	324.043517	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+H+K"	39.970434
"705926"	476.072667	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+H+K"	39.970434
"1458654"	172.014367	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+K"	39.970434
"248350"	650.150426	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+ACN+H"	42.033826
"1219964"	346.092126	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+ACN+H"	42.033826
"1202755"	173.549701	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+ACN+2H"	43.041102
"192345"	653.08776	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2Na-H"	44.97116
"633000"	957.14606	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2Na-H"	44.97116
"1136506"	349.02946	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2Na-H"	44.97116
"175421"	327.047518	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2Na"	45.978436
"614614"	479.076668	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2Na"	45.978436
"1119578"	175.018368	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2Na"	45.978436
"1400916"	117.014670666667	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+2Na"	46.985712
"1430480"	351.071046	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+HCOOH"	47.012746
"221632"	332.08054	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+3H2O+2H"	56.04448
"1510178"	365.12309	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+IsoProp+H"	61.06479
"410474"	335.034488	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+Na+K"	61.952376
"773290"	487.063638	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+Na+K"	61.952376
"1667802"	183.005338	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na+K"	61.952376
"253961"	672.132368	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+ACN+Na"	64.015768
"1229220"	368.074068	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+ACN+Na"	64.015768
"1721392"	368.097593	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+NH4+HCOOH"	64.039293
"1181641"	124.341984666667	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+3Na"	68.967654
"1653357"	373.052988	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na+HCOOH"	68.994688
"162403"	685.03564	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2K-H"	76.91904
"601962"	989.09394	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2K-H"	76.91904
"1085380"	380.97734	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2K-H"	76.91904
"146574"	343.021458	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"2M+2K"	77.926316
"591606"	495.050608	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"3M+2K"	77.926316
"1077214"	190.992308	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2K"	77.926316
"1111518"	382.991892	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2K+H"	78.933592
"1342439"	383.079507	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+DMSO+H"	79.021207
"1012061"	387.118676	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2ACN+H"	83.060376
"1532374"	388.112308	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+IsoProp+Na+H"	84.054008
"1004783"	194.062976	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+2ACN+2H"	84.067652
"1600986"	389.026928	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K+HCOOH"	84.968628
"1424453"	419.058438	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+H+CF3COOH"	115.000138
"1159117"	214.576251	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+3ACN+2H"	125.094202
"1706480"	436.084985	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+NH4+CF3COOH"	132.026685
"1644319"	441.04038	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+Na+CF3COOH"	136.98208
"1578877"	457.01432	"C12316"	"cis-Dihydroquercetin"	"C15H12O7"	"304.0583"	"M+K+CF3COOH"	152.95602
"809244"	119.0582	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M"	0
"982776"	100.03981	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H2O-H"	-19.01839
"63968"	78.3648573333333	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-3H"	-3.021828
"503892"	118.050924	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-3H"	-3.021828
"880358"	38.6787906666667	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-3H"	-3.021828
"3676"	118.050924	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H"	-2.014552
"441413"	177.580024	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H"	-2.014552
"823229"	58.521824	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H"	-2.014552
"80302"	237.109124	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-H"	-1.007276
"522782"	356.167324	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-H"	-1.007276
"900947"	118.050924	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H"	-1.007276
"52770"	254.135671	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H+NH4"	16.019271
"492334"	373.193871	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H+NH4"	16.019271
"867947"	135.077471	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H+NH4"	16.019271
"36945"	259.091066	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H+Na"	20.974666
"486675"	378.149266	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H+Na"	20.974666
"859782"	140.032866	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H+Na"	20.974666
"1633686"	140.032866	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na-2H"	20.974666
"103654"	136.039263	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-H+Cl"	33.962126
"536285"	195.568363	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-H+Cl"	33.962126
"935637"	76.510163	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+Cl"	33.962126
"268967"	273.085802	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Cl"	34.969402
"663332"	392.144002	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+Cl"	34.969402
"1274277"	154.027602	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl"	34.969402
"20485"	275.065006	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M-2H+K"	36.948606
"460043"	394.123206	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M-2H+K"	36.948606
"838937"	156.006806	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-2H+K"	36.948606
"1557441"	156.006806	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K-2H"	36.948606
"947394"	164.056394	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+HCOOH"	44.998194
"364514"	283.114601	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+HCOOH-H"	44.998201
"350590"	297.130251	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Hac-H"	59.013851
"1503435"	178.072051	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Hac-H"	59.013851
"966602"	186.038351	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+NaCOOH"	66.980151
"122438"	154.027602	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2Cl"	69.938804
"555434"	213.556702	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2Cl"	69.938804
"1023380"	94.498502	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2Cl"	69.938804
"1244175"	197.977085	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Br"	78.918885
"1304675"	200.033072	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl+HCOOH"	80.974872
"1324488"	222.015029	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl+NaCOOH"	102.956829
"913355"	232.043786	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M-H+CF3COOH"	112.985586
"1295541"	268.020464	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Cl+CF3COOH"	148.962264
"1374795"	84.045524	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H-2H2O"	-35.012676
"1387551"	102.0555	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H-H2O"	-17.0027
"286506"	239.123676	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H"	1.007276
"676858"	358.181876	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H"	1.007276
"1352354"	120.065476	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H"	1.007276
"126457"	120.065476	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2H"	2.014552
"566501"	179.594576	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2H"	2.014552
"1038708"	60.536376	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2H"	2.014552
"205757"	80.3794093333333	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+3H"	3.021828
"646164"	120.065476	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+3H"	3.021828
"1162826"	40.6933426666667	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+3H"	3.021828
"427201"	256.150223	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+NH4"	18.033823
"786372"	375.208423	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+NH4"	18.033823
"1683443"	137.092023	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+NH4"	18.033823
"330094"	128.5787495	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H+NH4"	19.041099
"729984"	188.1078495	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H+NH4"	19.041099
"1481616"	69.0496495	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+NH4"	19.041099
"405765"	261.105618	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Na"	22.989218
"765666"	380.163818	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+Na"	22.989218
"1609389"	142.047418	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na"	22.989218
"329556"	131.056447	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H+Na"	23.996494
"720596"	190.585547	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H+Na"	23.996494
"1475514"	71.527347	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+Na"	23.996494
"1065476"	48.0206566666667	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2H+Na"	25.00377
"1269342"	152.091686	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+CH3OH+H"	33.033486
"391932"	277.079558	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+K"	38.963158
"750017"	396.137758	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+K"	38.963158
"1554985"	158.021358	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K"	38.963158
"312890"	139.043417	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+H+K"	39.970434
"703849"	198.572517	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+H+K"	39.970434
"1455482"	79.514317	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+K"	39.970434
"249553"	280.150226	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+ACN+H"	42.033826
"1218980"	161.092026	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+ACN+H"	42.033826
"1207237"	81.049651	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+ACN+2H"	43.041102
"191363"	283.08756	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2Na-H"	44.97116
"632017"	402.14576	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2Na-H"	44.97116
"1136616"	164.02936	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2Na-H"	44.97116
"173501"	142.047418	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2Na"	45.978436
"616183"	201.576518	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2Na"	45.978436
"1119689"	82.518318	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2Na"	45.978436
"1400540"	55.3479706666667	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+2Na"	46.985712
"1430832"	166.070946	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+HCOOH"	47.012746
"222107"	147.08044	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+3H2O+2H"	56.04448
"1510170"	180.12299	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+IsoProp+H"	61.06479
"411675"	150.034388	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+Na+K"	61.952376
"771942"	209.563488	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+Na+K"	61.952376
"1666576"	90.505288	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na+K"	61.952376
"253098"	302.132168	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+ACN+Na"	64.015768
"1228236"	183.073968	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+ACN+Na"	64.015768
"1721502"	183.097493	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+NH4+HCOOH"	64.039293
"1182479"	62.6752846666667	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+3Na"	68.967654
"1655288"	188.052888	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na+HCOOH"	68.994688
"162877"	315.03544	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2K-H"	76.91904
"603165"	434.09364	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2K-H"	76.91904
"1085490"	195.97724	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2K-H"	76.91904
"147777"	158.021358	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"2M+2K"	77.926316
"592807"	217.550458	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"3M+2K"	77.926316
"1076230"	98.492258	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2K"	77.926316
"1110535"	197.991792	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2K+H"	78.933592
"1348011"	198.079407	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+DMSO+H"	79.021207
"1013264"	202.118576	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2ACN+H"	83.060376
"1534670"	203.112208	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+IsoProp+Na+H"	84.054008
"1005013"	101.562926	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+2ACN+2H"	84.067652
"1602064"	204.026828	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K+HCOOH"	84.968628
"1423470"	234.058338	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+H+CF3COOH"	115.000138
"1160320"	122.076201	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+3ACN+2H"	125.094202
"1705496"	251.084885	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+NH4+CF3COOH"	132.026685
"1644429"	256.04028	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+Na+CF3COOH"	136.98208
"1578987"	272.01422	"C12317"	"D-Allothreonine;D-allo-Threonine"	"C4H9NO3"	"119.0582"	"M+K+CF3COOH"	152.95602
"809354"	529.0863	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M"	0
"982886"	510.06791	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-H2O-H"	-19.01839
"63594"	351.716924	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M-3H"	-3.021828
"502831"	528.079024	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M-3H"	-3.021828
"879930"	175.354824	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-3H"	-3.021828
"1476"	528.079024	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H"	-2.014552
"439991"	792.622174	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H"	-2.014552
"818964"	263.535874	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-2H"	-2.014552
"80045"	1057.165324	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M-H"	-1.007276
"523985"	1586.251624	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M-H"	-1.007276
"899598"	528.079024	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-H"	-1.007276
"50693"	1074.191871	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+NH4"	16.019271
"489164"	1603.278171	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+NH4"	16.019271
"865141"	545.105571	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-2H+NH4"	16.019271
"35962"	1079.147266	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+Na"	20.974666
"486748"	1608.233566	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+Na"	20.974666
"861714"	550.060966	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-2H+Na"	20.974666
"1633716"	550.060966	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Na-2H"	20.974666
"104857"	546.067363	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M-H+Cl"	33.962126
"537854"	810.610513	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M-H+Cl"	33.962126
"935747"	281.524213	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-H+Cl"	33.962126
"269929"	1093.142002	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+Cl"	34.969402
"665628"	1622.228302	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+Cl"	34.969402
"1275845"	564.055702	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl"	34.969402
"22779"	1095.121206	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+K"	36.948606
"461247"	1624.207506	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+K"	36.948606
"835767"	566.034906	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-2H+K"	36.948606
"1555971"	566.034906	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+K-2H"	36.948606
"946410"	574.084494	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-H+HCOOH"	44.998194
"363894"	1103.170801	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+HCOOH-H"	44.998201
"349607"	1117.186451	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+Hac-H"	59.013851
"1502452"	588.100151	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Hac-H"	59.013851
"967806"	596.066451	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-H+NaCOOH"	66.980151
"118904"	564.055702	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+2Cl"	69.938804
"560648"	828.598852	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+2Cl"	69.938804
"1025436"	299.512552	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2Cl"	69.938804
"1245014"	608.005185	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Br"	78.918885
"1305274"	610.061172	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+HCOOH"	80.974872
"1324598"	632.043129	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+NaCOOH"	102.956829
"911559"	642.071886	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M-H+CF3COOH"	112.985586
"1296744"	678.048564	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+CF3COOH"	148.962264
"1375998"	494.073624	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H-2H2O"	-35.012676
"1387661"	512.0836	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H-H2O"	-17.0027
"285887"	1059.179876	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+H"	1.007276
"676120"	1588.266176	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+H"	1.007276
"1352591"	530.093576	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H"	1.007276
"125823"	530.093576	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+2H"	2.014552
"565828"	794.636726	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+2H"	2.014552
"1037847"	265.550426	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2H"	2.014552
"206111"	353.731476	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+3H"	3.021828
"646275"	530.093576	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+3H"	3.021828
"1162940"	177.369376	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+3H"	3.021828
"425489"	1076.206423	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+NH4"	18.033823
"785996"	1605.292723	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+NH4"	18.033823
"1682096"	547.120123	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+NH4"	18.033823
"330027"	538.6068495	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+H+NH4"	19.041099
"731187"	803.1499995	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+H+NH4"	19.041099
"1485006"	274.0636995	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H+NH4"	19.041099
"405875"	1081.161818	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+Na"	22.989218
"765776"	1610.248118	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+Na"	22.989218
"1610592"	552.075518	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Na"	22.989218
"327921"	541.084547	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+H+Na"	23.996494
"722166"	805.627697	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+H+Na"	23.996494
"1475261"	276.541397	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H+Na"	23.996494
"1064493"	184.69669	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2H+Na"	25.00377
"1269453"	562.119786	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+CH3OH+H"	33.033486
"391313"	1097.135758	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+K"	38.963158
"749034"	1626.222058	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+K"	38.963158
"1553274"	568.049458	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+K"	38.963158
"312636"	549.071517	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+H+K"	39.970434
"702866"	813.614667	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+H+K"	39.970434
"1453404"	284.528367	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H+K"	39.970434
"244192"	1100.206426	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+ACN+H"	42.033826
"1219087"	571.120126	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+H"	42.033826
"1205159"	286.063701	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+2H"	43.041102
"200221"	1103.14376	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+2Na-H"	44.97116
"637592"	1632.23006	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+2Na-H"	44.97116
"1141100"	574.05746	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2Na-H"	44.97116
"174549"	552.075518	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+2Na"	45.978436
"616293"	816.618668	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+2Na"	45.978436
"1117733"	287.532368	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2Na"	45.978436
"1401137"	192.024004	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H+2Na"	46.985712
"1431065"	576.099046	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H+HCOOH"	47.012746
"221123"	557.10854	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+3H2O+2H"	56.04448
"1512101"	590.15109	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+IsoProp+H"	61.06479
"411786"	560.062488	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+Na+K"	61.952376
"772051"	824.605638	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+Na+K"	61.952376
"1667294"	295.519338	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Na+K"	61.952376
"252843"	1122.188368	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+ACN+Na"	64.015768
"1229439"	593.102068	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+Na"	64.015768
"1721612"	593.125593	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+NH4+HCOOH"	64.039293
"1182226"	199.351318	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+3Na"	68.967654
"1654304"	598.080988	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Na+HCOOH"	68.994688
"161893"	1135.09164	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+2K-H"	76.91904
"602182"	1664.17794	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+2K-H"	76.91904
"1085600"	606.00534	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2K-H"	76.91904
"147887"	568.049458	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"2M+2K"	77.926316
"590731"	832.592608	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"3M+2K"	77.926316
"1076340"	303.506308	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2K"	77.926316
"1113924"	608.019892	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2K+H"	78.933592
"1348121"	608.107507	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+DMSO+H"	79.021207
"1013374"	612.146676	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2ACN+H"	83.060376
"1533687"	613.140308	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+IsoProp+Na+H"	84.054008
"1003417"	306.576976	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+2ACN+2H"	84.067652
"1601201"	614.054928	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+K+HCOOH"	84.968628
"1420298"	644.086438	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+H+CF3COOH"	115.000138
"1157150"	327.090251	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+3ACN+2H"	125.094202
"1704513"	661.112985	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+NH4+CF3COOH"	132.026685
"1644539"	666.06838	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+Na+CF3COOH"	136.98208
"1579097"	682.04232	"C12318"	"dTDP-3-amino-236-trideoxy-4-keto-D-glucose;dTDP-3-amino-236-trideoxy-D-threo-hexopyranos-4-ulose;dTDP-3-amino-4-oxo-236-trideoxy-D-glucose"	"C16H25N3O13P2"	"529.0863"	"M+K+CF3COOH"	152.95602
"809464"	543.1019	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M"	0
"982996"	524.08351	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-H2O-H"	-19.01839
"63947"	361.060657333333	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M-3H"	-3.021828
"503628"	542.094624	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M-3H"	-3.021828
"880336"	180.026690666667	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-3H"	-3.021828
"1344"	542.094624	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M-2H"	-2.014552
"440122"	813.645574	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M-2H"	-2.014552
"819074"	270.543674	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-2H"	-2.014552
"79911"	1085.196524	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M-H"	-1.007276
"523002"	1628.298424	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M-H"	-1.007276
"899708"	542.094624	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-H"	-1.007276
"50803"	1102.223071	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M-2H+NH4"	16.019271
"487935"	1645.324971	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M-2H+NH4"	16.019271
"865975"	559.121171	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-2H+NH4"	16.019271
"36072"	1107.178466	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M-2H+Na"	20.974666
"483656"	1650.280366	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M-2H+Na"	20.974666
"853440"	564.076566	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-2H+Na"	20.974666
"1625159"	564.076566	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Na-2H"	20.974666
"96583"	560.082963	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M-H+Cl"	33.962126
"536141"	831.633913	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M-H+Cl"	33.962126
"928202"	288.532013	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-H+Cl"	33.962126
"267972"	1121.173202	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+Cl"	34.969402
"664645"	1664.275102	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+Cl"	34.969402
"1272869"	578.071302	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Cl"	34.969402
"18514"	1123.152406	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M-2H+K"	36.948606
"459171"	1666.254306	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M-2H+K"	36.948606
"836241"	580.050506	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-2H+K"	36.948606
"1555831"	580.050506	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+K-2H"	36.948606
"946156"	588.100094	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-H+HCOOH"	44.998194
"362909"	1131.202001	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+HCOOH-H"	44.998201
"350081"	1145.217651	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+Hac-H"	59.013851
"1499645"	602.115751	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Hac-H"	59.013851
"961352"	610.082051	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-H+NaCOOH"	66.980151
"120105"	578.071302	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+2Cl"	69.938804
"555289"	849.622252	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+2Cl"	69.938804
"1024087"	306.520352	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2Cl"	69.938804
"1244031"	622.020785	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Br"	78.918885
"1305384"	624.076772	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Cl+HCOOH"	80.974872
"1323611"	646.058729	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Cl+NaCOOH"	102.956829
"911989"	656.087486	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M-H+CF3COOH"	112.985586
"1295760"	692.064164	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Cl+CF3COOH"	148.962264
"1373191"	508.089224	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H-2H2O"	-35.012676
"1384855"	526.0992	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H-H2O"	-17.0027
"284539"	1087.211076	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+H"	1.007276
"675861"	1630.312976	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+H"	1.007276
"1351371"	544.109176	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H"	1.007276
"125989"	544.109176	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+2H"	2.014552
"566482"	815.660126	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+2H"	2.014552
"1039293"	272.558226	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2H"	2.014552
"205491"	363.075209333333	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+3H"	3.021828
"645777"	544.109176	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+3H"	3.021828
"1163043"	182.041242666667	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+3H"	3.021828
"424856"	1104.237623	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+NH4"	18.033823
"786345"	1647.339523	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+NH4"	18.033823
"1682933"	561.135723	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+NH4"	18.033823
"330599"	552.6224495	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+H+NH4"	19.041099
"730201"	824.1733995	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+H+NH4"	19.041099
"1485116"	281.0714995	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H+NH4"	19.041099
"404892"	1109.193018	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+Na"	22.989218
"765886"	1652.294918	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+Na"	22.989218
"1611794"	566.091118	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Na"	22.989218
"328153"	555.100147	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+H+Na"	23.996494
"722033"	826.651097	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+H+Na"	23.996494
"1470264"	283.549197	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H+Na"	23.996494
"1062416"	189.368556666667	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2H+Na"	25.00377
"1266281"	576.135386	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+CH3OH+H"	33.033486
"391058"	1125.166958	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+K"	38.963158
"750234"	1668.268858	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+K"	38.963158
"1553016"	582.065058	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+K"	38.963158
"311650"	563.087117	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+H+K"	39.970434
"702976"	834.638067	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+H+K"	39.970434
"1453514"	291.536167	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H+K"	39.970434
"242115"	1128.237626	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+ACN+H"	42.033826
"1217010"	585.135726	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+ACN+H"	42.033826
"1201989"	293.071501	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+ACN+2H"	43.041102
"193767"	1131.17496	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+2Na-H"	44.97116
"637702"	1674.27686	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+2Na-H"	44.97116
"1135742"	588.07306	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2Na-H"	44.97116
"181219"	566.091118	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+2Na"	45.978436
"618590"	837.642068	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+2Na"	45.978436
"1123189"	294.540168	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2Na"	45.978436
"1398612"	196.695870666667	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H+2Na"	46.985712
"1430447"	590.114646	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H+HCOOH"	47.012746
"222326"	571.12414	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+3H2O+2H"	56.04448
"1508928"	604.16669	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+IsoProp+H"	61.06479
"413353"	574.078088	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+Na+K"	61.952376
"771430"	845.629038	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+Na+K"	61.952376
"1666670"	302.527138	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Na+K"	61.952376
"253558"	1150.219568	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+ACN+Na"	64.015768
"1226750"	607.117668	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+ACN+Na"	64.015768
"1716617"	607.141193	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+NH4+HCOOH"	64.039293
"1181607"	204.023184666667	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+3Na"	68.967654
"1653685"	612.096588	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Na+HCOOH"	68.994688
"162367"	1163.12284	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+2K-H"	76.91904
"602292"	1706.22474	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+2K-H"	76.91904
"1085710"	620.02094	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2K-H"	76.91904
"147997"	582.065058	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"2M+2K"	77.926316
"587561"	853.616008	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"3M+2K"	77.926316
"1076450"	310.514108	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2K"	77.926316
"1112940"	622.035492	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2K+H"	78.933592
"1348231"	622.123107	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+DMSO+H"	79.021207
"1013484"	626.162276	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2ACN+H"	83.060376
"1534890"	627.155908	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+IsoProp+Na+H"	84.054008
"1005229"	313.584776	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+2ACN+2H"	84.067652
"1598031"	628.070528	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+K+HCOOH"	84.968628
"1420408"	658.102038	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+H+CF3COOH"	115.000138
"1158353"	334.098051	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+3ACN+2H"	125.094202
"1704623"	675.128585	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+NH4+CF3COOH"	132.026685
"1639182"	680.08398	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+Na+CF3COOH"	136.98208
"1579207"	696.05792	"C12319"	"dTDP-3-amino-236-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose"	"C17H27N3O13P2"	"543.1019"	"M+K+CF3COOH"	152.95602
"809574"	543.1019	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M"	0
"983106"	524.08351	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-H2O-H"	-19.01839
"63568"	361.060657333333	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M-3H"	-3.021828
"504346"	542.094624	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M-3H"	-3.021828
"880564"	180.026690666667	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-3H"	-3.021828
"436"	542.094624	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M-2H"	-2.014552
"440644"	813.645574	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M-2H"	-2.014552
"820277"	270.543674	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-2H"	-2.014552
"80630"	1085.196524	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M-H"	-1.007276
"526392"	1628.298424	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M-H"	-1.007276
"899818"	542.094624	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-H"	-1.007276
"52006"	1102.223071	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M-2H+NH4"	16.019271
"490476"	1645.324971	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M-2H+NH4"	16.019271
"867906"	559.121171	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-2H+NH4"	16.019271
"36182"	1107.178466	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M-2H+Na"	20.974666
"484131"	1650.280366	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M-2H+Na"	20.974666
"857923"	564.076566	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-2H+Na"	20.974666
"1621989"	564.076566	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Na-2H"	20.974666
"96329"	560.082963	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M-H+Cl"	33.962126
"536979"	831.633913	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M-H+Cl"	33.962126
"927534"	288.532013	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-H+Cl"	33.962126
"267955"	1121.173202	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+Cl"	34.969402
"660859"	1664.275102	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+Cl"	34.969402
"1273142"	578.071302	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Cl"	34.969402
"18624"	1123.152406	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M-2H+K"	36.948606
"458185"	1666.254306	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M-2H+K"	36.948606
"834527"	580.050506	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-2H+K"	36.948606
"1557286"	580.050506	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+K-2H"	36.948606
"945537"	588.100094	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-H+HCOOH"	44.998194
"362292"	1131.202001	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+HCOOH-H"	44.998201
"352013"	1145.217651	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+Hac-H"	59.013851
"1497204"	602.115751	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Hac-H"	59.013851
"961826"	610.082051	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-H+NaCOOH"	66.980151
"118758"	578.071302	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+2Cl"	69.938804
"553576"	849.622252	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+2Cl"	69.938804
"1023468"	306.520352	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2Cl"	69.938804
"1245234"	622.020785	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Br"	78.918885
"1305494"	624.076772	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Cl+HCOOH"	80.974872
"1321412"	646.058729	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Cl+NaCOOH"	102.956829
"911448"	656.087486	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M-H+CF3COOH"	112.985586
"1295870"	692.064164	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Cl+CF3COOH"	148.962264
"1376217"	508.089224	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H-2H2O"	-35.012676
"1384601"	526.0992	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H-H2O"	-17.0027
"285015"	1087.211076	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+H"	1.007276
"676046"	1630.312976	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+H"	1.007276
"1352201"	544.109176	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H"	1.007276
"126664"	544.109176	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+2H"	2.014552
"565859"	815.660126	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+2H"	2.014552
"1037820"	272.558226	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2H"	2.014552
"206208"	363.075209333333	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+3H"	3.021828
"646861"	544.109176	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+3H"	3.021828
"1164252"	182.041242666667	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+3H"	3.021828
"426797"	1104.237623	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+NH4"	18.033823
"786333"	1647.339523	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+NH4"	18.033823
"1683045"	561.135723	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+NH4"	18.033823
"330832"	552.6224495	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+H+NH4"	19.041099
"732498"	824.1733995	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+H+NH4"	19.041099
"1485226"	281.0714995	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H+NH4"	19.041099
"405002"	1109.193018	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+Na"	22.989218
"764903"	1652.294918	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+Na"	22.989218
"1610811"	566.091118	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Na"	22.989218
"326319"	555.100147	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+H+Na"	23.996494
"720807"	826.651097	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+H+Na"	23.996494
"1470374"	283.549197	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H+Na"	23.996494
"1062526"	189.368556666667	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2H+Na"	25.00377
"1266390"	576.135386	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+CH3OH+H"	33.033486
"390439"	1125.166958	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+K"	38.963158
"749254"	1668.268858	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+K"	38.963158
"1551303"	582.065058	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+K"	38.963158
"312125"	563.087117	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+H+K"	39.970434
"701991"	834.638067	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+H+K"	39.970434
"1449250"	291.536167	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H+K"	39.970434
"240036"	1128.237626	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+ACN+H"	42.033826
"1217121"	585.135726	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+ACN+H"	42.033826
"1198088"	293.071501	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+ACN+2H"	43.041102
"196063"	1131.17496	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+2Na-H"	44.97116
"637812"	1674.27686	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+2Na-H"	44.97116
"1134759"	588.07306	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2Na-H"	44.97116
"181329"	566.091118	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+2Na"	45.978436
"618700"	837.642068	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+2Na"	45.978436
"1122206"	294.540168	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2Na"	45.978436
"1398924"	196.695870666667	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H+2Na"	46.985712
"1431042"	590.114646	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H+HCOOH"	47.012746
"221341"	571.12414	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+3H2O+2H"	56.04448
"1511954"	604.16669	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+IsoProp+H"	61.06479
"409817"	574.078088	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+Na+K"	61.952376
"771542"	845.629038	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+Na+K"	61.952376
"1667146"	302.527138	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Na+K"	61.952376
"253665"	1150.219568	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+ACN+Na"	64.015768
"1227101"	607.117668	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+ACN+Na"	64.015768
"1715270"	607.141193	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+NH4+HCOOH"	64.039293
"1180987"	204.023184666667	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+3Na"	68.967654
"1653066"	612.096588	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Na+HCOOH"	68.994688
"162477"	1163.12284	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+2K-H"	76.91904
"600943"	1706.22474	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+2K-H"	76.91904
"1085820"	620.02094	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2K-H"	76.91904
"149200"	582.065058	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"2M+2K"	77.926316
"586578"	853.616008	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"3M+2K"	77.926316
"1075467"	310.514108	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2K"	77.926316
"1110864"	622.035492	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2K+H"	78.933592
"1343968"	622.123107	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+DMSO+H"	79.021207
"1013591"	626.162276	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2ACN+H"	83.060376
"1536093"	627.155908	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+IsoProp+Na+H"	84.054008
"1004974"	313.584776	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+2ACN+2H"	84.067652
"1600327"	628.070528	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+K+HCOOH"	84.968628
"1427078"	658.102038	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+H+CF3COOH"	115.000138
"1157369"	334.098051	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+3ACN+2H"	125.094202
"1704733"	675.128585	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+NH4+CF3COOH"	132.026685
"1638199"	680.08398	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+Na+CF3COOH"	136.98208
"1579317"	696.05792	"C12320"	"dTDP-L-4-oxovancosamine"	"C17H27N3O13P2"	"543.1019"	"M+K+CF3COOH"	152.95602
"809684"	545.1176	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M"	0
"983216"	526.09921	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-H2O-H"	-19.01839
"64287"	362.404457333333	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M-3H"	-3.021828
"504820"	544.110324	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M-3H"	-3.021828
"883354"	180.698590666667	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-3H"	-3.021828
"835"	544.110324	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M-2H"	-2.014552
"440879"	816.669124	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M-2H"	-2.014552
"823667"	271.551524	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-2H"	-2.014552
"82199"	1089.227924	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M-H"	-1.007276
"530875"	1634.345524	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M-H"	-1.007276
"903208"	544.110324	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-H"	-1.007276
"52116"	1106.254471	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M-2H+NH4"	16.019271
"494959"	1651.372071	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M-2H+NH4"	16.019271
"868383"	561.136871	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-2H+NH4"	16.019271
"36292"	1111.209866	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M-2H+Na"	20.974666
"483508"	1656.327466	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M-2H+Na"	20.974666
"860219"	566.092266	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-2H+Na"	20.974666
"1626473"	566.092266	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Na-2H"	20.974666
"100812"	562.098663	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M-H+Cl"	33.962126
"535997"	834.657463	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M-H+Cl"	33.962126
"930605"	289.539863	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-H+Cl"	33.962126
"268187"	1125.204602	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+Cl"	34.969402
"662674"	1670.322202	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+Cl"	34.969402
"1274226"	580.087002	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Cl"	34.969402
"18734"	1127.183806	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M-2H+K"	36.948606
"457444"	1672.301406	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M-2H+K"	36.948606
"836093"	582.066206	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-2H+K"	36.948606
"1556789"	582.066206	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+K-2H"	36.948606
"948928"	590.115794	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-H+HCOOH"	44.998194
"366778"	1135.233401	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+HCOOH-H"	44.998201
"350664"	1149.249051	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+Hac-H"	59.013851
"1496945"	604.131451	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Hac-H"	59.013851
"959259"	612.097751	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-H+NaCOOH"	66.980151
"115223"	580.087002	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+2Cl"	69.938804
"554050"	852.645802	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+2Cl"	69.938804
"1024671"	307.528202	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2Cl"	69.938804
"1244250"	624.036485	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Br"	78.918885
"1305968"	626.092472	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Cl+HCOOH"	80.974872
"1321280"	648.074429	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Cl+NaCOOH"	102.956829
"911846"	658.103186	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M-H+CF3COOH"	112.985586
"1299260"	694.079864	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Cl+CF3COOH"	148.962264
"1374141"	510.104924	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H-2H2O"	-35.012676
"1386897"	528.1149	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H-H2O"	-17.0027
"285125"	1091.242476	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+H"	1.007276
"675917"	1636.360076	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+H"	1.007276
"1351826"	546.124876	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H"	1.007276
"126212"	546.124876	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+2H"	2.014552
"565735"	818.683676	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+2H"	2.014552
"1037240"	273.566076	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2H"	2.014552
"205222"	364.419009333333	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+3H"	3.021828
"645145"	546.124876	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+3H"	3.021828
"1163505"	182.713142666667	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+3H"	3.021828
"424335"	1108.269023	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+NH4"	18.033823
"786197"	1653.386623	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+NH4"	18.033823
"1681938"	563.151423	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+NH4"	18.033823
"330574"	554.6381495	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+H+NH4"	19.041099
"732607"	827.1969495	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+H+NH4"	19.041099
"1485336"	282.0793495	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H+NH4"	19.041099
"405112"	1113.224418	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+Na"	22.989218
"762824"	1658.342018	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+Na"	22.989218
"1612013"	568.106818	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Na"	22.989218
"328251"	557.115847	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+H+Na"	23.996494
"722215"	829.674647	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+H+Na"	23.996494
"1475951"	284.557047	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H+Na"	23.996494
"1063730"	190.040456666667	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2H+Na"	25.00377
"1267594"	578.151086	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+CH3OH+H"	33.033486
"389453"	1129.198358	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+K"	38.963158
"750821"	1674.315958	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+K"	38.963158
"1554451"	584.080758	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+K"	38.963158
"312963"	565.102817	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+H+K"	39.970434
"699914"	837.661617	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+H+K"	39.970434
"1452639"	292.544017	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H+K"	39.970434
"244518"	1132.269026	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+ACN+H"	42.033826
"1218324"	587.151426	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+ACN+H"	42.033826
"1200020"	294.079351	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+ACN+2H"	43.041102
"198360"	1135.20636	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+2Na-H"	44.97116
"639016"	1680.32396	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+2Na-H"	44.97116
"1140337"	590.08876	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2Na-H"	44.97116
"185448"	568.106818	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+2Na"	45.978436
"623184"	840.665618	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+2Na"	45.978436
"1125596"	295.548018	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2Na"	45.978436
"1403655"	197.367770666667	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H+2Na"	46.985712
"1430015"	592.130346	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H+HCOOH"	47.012746
"221333"	573.13984	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+3H2O+2H"	56.04448
"1509879"	606.18239	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+IsoProp+H"	61.06479
"410293"	576.093788	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+Na+K"	61.952376
"770316"	848.652588	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+Na+K"	61.952376
"1665998"	303.534988	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Na+K"	61.952376
"252074"	1154.250968	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+ACN+Na"	64.015768
"1227216"	609.133368	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+ACN+Na"	64.015768
"1714286"	609.156893	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+NH4+HCOOH"	64.039293
"1180735"	204.695084666667	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+3Na"	68.967654
"1652448"	614.112288	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Na+HCOOH"	68.994688
"159308"	1167.15424	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+2K-H"	76.91904
"599961"	1712.27184	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+2K-H"	76.91904
"1085321"	622.03664	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2K-H"	76.91904
"145302"	584.080758	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"2M+2K"	77.926316
"585594"	856.639558	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"3M+2K"	77.926316
"1078857"	311.521958	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2K"	77.926316
"1112067"	624.051192	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2K+H"	78.933592
"1346265"	624.138807	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+DMSO+H"	79.021207
"1013701"	628.177976	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2ACN+H"	83.060376
"1534012"	629.171608	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+IsoProp+Na+H"	84.054008
"1005331"	314.592626	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+2ACN+2H"	84.067652
"1600439"	630.086228	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+K+HCOOH"	84.968628
"1427189"	660.117738	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+H+CF3COOH"	115.000138
"1161489"	335.105901	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+3ACN+2H"	125.094202
"1703749"	677.144285	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+NH4+CF3COOH"	132.026685
"1638309"	682.09968	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+Na+CF3COOH"	136.98208
"1576146"	698.07362	"C12321"	"dTDP-L-epivancosamine;dTDP-beta-L-4-epi-vancosamine;dTDP-3-amino-236-trideoxy-3-methyl-beta-L-arabino-hexopyranose"	"C17H29N3O13P2"	"545.1176"	"M+K+CF3COOH"	152.95602
"809794"	545.1176	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M"	0
"983326"	526.09921	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-H2O-H"	-19.01839
"62944"	362.404457333333	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M-3H"	-3.021828
"504566"	544.110324	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M-3H"	-3.021828
"882371"	180.698590666667	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-3H"	-3.021828
"823"	544.110324	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M-2H"	-2.014552
"440040"	816.669124	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M-2H"	-2.014552
"822684"	271.551524	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-2H"	-2.014552
"81945"	1089.227924	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M-H"	-1.007276
"527705"	1634.345524	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M-H"	-1.007276
"903318"	544.110324	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-H"	-1.007276
"52226"	1106.254471	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M-2H+NH4"	16.019271
"493976"	1651.372071	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M-2H+NH4"	16.019271
"868858"	561.136871	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-2H+NH4"	16.019271
"36402"	1111.209866	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M-2H+Na"	20.974666
"473775"	1656.327466	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M-2H+Na"	20.974666
"854862"	566.092266	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-2H+Na"	20.974666
"1622209"	566.092266	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Na-2H"	20.974666
"99829"	562.098663	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M-H+Cl"	33.962126
"537199"	834.657463	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M-H+Cl"	33.962126
"929622"	289.539863	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-H+Cl"	33.962126
"268051"	1125.204602	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+Cl"	34.969402
"661202"	1670.322202	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+Cl"	34.969402
"1273609"	580.087002	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Cl"	34.969402
"18844"	1127.183806	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M-2H+K"	36.948606
"458405"	1672.301406	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M-2H+K"	36.948606
"836203"	582.066206	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-2H+K"	36.948606
"1556527"	582.066206	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+K-2H"	36.948606
"948673"	590.115794	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-H+HCOOH"	44.998194
"369074"	1135.233401	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+HCOOH-H"	44.998201
"350768"	1149.249051	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+Hac-H"	59.013851
"1497055"	604.131451	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Hac-H"	59.013851
"958803"	612.097751	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-H+NaCOOH"	66.980151
"117884"	580.087002	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+2Cl"	69.938804
"555253"	852.645802	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+2Cl"	69.938804
"1024052"	307.528202	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2Cl"	69.938804
"1245453"	624.036485	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Br"	78.918885
"1306807"	626.092472	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Cl+HCOOH"	80.974872
"1320294"	648.074429	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Cl+NaCOOH"	102.956829
"911714"	658.103186	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M-H+CF3COOH"	112.985586
"1296090"	694.079864	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Cl+CF3COOH"	148.962264
"1377165"	510.104924	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H-2H2O"	-35.012676
"1387372"	528.1149	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H-H2O"	-17.0027
"284139"	1091.242476	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+H"	1.007276
"675724"	1636.360076	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+H"	1.007276
"1351814"	546.124876	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H"	1.007276
"125730"	546.124876	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+2H"	2.014552
"565722"	818.683676	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+2H"	2.014552
"1037228"	273.566076	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2H"	2.014552
"204847"	364.419009333333	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+3H"	3.021828
"644769"	546.124876	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+3H"	3.021828
"1163493"	182.713142666667	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+3H"	3.021828
"424540"	1108.269023	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+NH4"	18.033823
"786022"	1653.386623	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+NH4"	18.033823
"1681800"	563.151423	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+NH4"	18.033823
"331898"	554.6381495	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+H+NH4"	19.041099
"730531"	827.1969495	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+H+NH4"	19.041099
"1487632"	282.0793495	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H+NH4"	19.041099
"406315"	1113.224418	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+Na"	22.989218
"765120"	1658.342018	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+Na"	22.989218
"1613216"	568.106818	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Na"	22.989218
"327996"	557.115847	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+H+Na"	23.996494
"722692"	829.674647	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+H+Na"	23.996494
"1476996"	284.557047	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H+Na"	23.996494
"1064933"	190.040456666667	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2H+Na"	25.00377
"1271713"	578.151086	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+CH3OH+H"	33.033486
"389561"	1129.198358	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+K"	38.963158
"750566"	1674.315958	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+K"	38.963158
"1553710"	584.080758	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+K"	38.963158
"312708"	565.102817	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+H+K"	39.970434
"701117"	837.661617	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+H+K"	39.970434
"1452748"	292.544017	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H+K"	39.970434
"242442"	1132.269026	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+ACN+H"	42.033826
"1218435"	587.151426	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+ACN+H"	42.033826
"1201223"	294.079351	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+ACN+2H"	43.041102
"196283"	1135.20636	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+2Na-H"	44.97116
"639126"	1680.32396	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+2Na-H"	44.97116
"1139719"	590.08876	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2Na-H"	44.97116
"184465"	568.106818	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+2Na"	45.978436
"622930"	840.665618	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+2Na"	45.978436
"1123519"	295.548018	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2Na"	45.978436
"1399631"	197.367770666667	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H+2Na"	46.985712
"1430527"	592.130346	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H+HCOOH"	47.012746
"221929"	573.13984	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+3H2O+2H"	56.04448
"1509138"	606.18239	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+IsoProp+H"	61.06479
"409676"	576.093788	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+Na+K"	61.952376
"770062"	848.652588	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+Na+K"	61.952376
"1665704"	303.534988	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Na+K"	61.952376
"251820"	1154.250968	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+ACN+Na"	64.015768
"1227082"	609.133368	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+ACN+Na"	64.015768
"1715854"	609.156893	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+NH4+HCOOH"	64.039293
"1181574"	204.695084666667	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+3Na"	68.967654
"1654016"	614.112288	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Na+HCOOH"	68.994688
"158689"	1167.15424	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+2K-H"	76.91904
"600071"	1712.27184	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+2K-H"	76.91904
"1085311"	622.03664	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2K-H"	76.91904
"145412"	584.080758	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"2M+2K"	77.926316
"585339"	856.639558	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"3M+2K"	77.926316
"1078967"	311.521958	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2K"	77.926316
"1112177"	624.051192	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2K+H"	78.933592
"1346375"	624.138807	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+DMSO+H"	79.021207
"1013811"	628.177976	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2ACN+H"	83.060376
"1533029"	629.171608	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+IsoProp+Na+H"	84.054008
"1001668"	314.592626	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+2ACN+2H"	84.067652
"1602006"	630.086228	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+K+HCOOH"	84.968628
"1426206"	660.117738	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+H+CF3COOH"	115.000138
"1160142"	335.105901	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+3ACN+2H"	125.094202
"1703859"	677.144285	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+NH4+CF3COOH"	132.026685
"1638419"	682.09968	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+Na+CF3COOH"	136.98208
"1576256"	698.07362	"C12322"	"dTDP-L-vancosamine;dTDP-beta-L-vancosamine"	"C17H29N3O13P2"	"545.1176"	"M+K+CF3COOH"	152.95602
"809904"	167.0582	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M"	0
"983436"	148.03981	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"63054"	110.364857333333	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"503947"	166.050924	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"882481"	54.6787906666667	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"114"	166.050924	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"440045"	249.580024	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"820607"	82.521824	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"79745"	333.109124	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"524535"	500.167324	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"899418"	166.050924	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"50148"	350.135671	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"490806"	517.193871	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"867873"	183.077471	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"36512"	355.091066	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"472790"	522.149266	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"849746"	188.032866	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1624506"	188.032866	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"99939"	184.039263	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"535123"	267.568363	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"927585"	100.510163	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"267879"	369.085802	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"660827"	536.144002	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1273433"	202.027602	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"18954"	371.065006	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"458515"	538.123206	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"835220"	204.006806	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1556883"	204.006806	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"947690"	212.056394	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"366998"	379.114601	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"349785"	393.130251	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1497163"	226.072051	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"962153"	234.038351	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"115078"	202.027602	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"554270"	285.556702	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1024891"	118.498502	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1246295"	245.977085	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1306917"	248.033072	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1322960"	270.015029	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"911827"	280.043786	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1294013"	316.020464	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1373268"	132.045524	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1389671"	150.0555	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"286077"	335.123676	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"678499"	502.181876	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1351924"	168.065476	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"125933"	168.065476	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"566226"	251.594576	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1038026"	84.536376	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"205440"	112.379409333333	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"645363"	168.065476	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1165668"	56.6933426666667	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"425301"	352.150223	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"787753"	519.208423	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1681704"	185.092023	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"330911"	176.5787495	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"733920"	260.1078495	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1486645"	93.0496495	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"403872"	357.105618	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"765230"	524.163818	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1610044"	190.047418	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"328714"	179.056447	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"719798"	262.585547	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1475078"	95.527347	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1063950"	64.0206566666667	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1267814"	200.091686	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"388578"	373.079558	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"751770"	540.137758	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1552727"	206.021358	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"311725"	187.043417	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"701227"	270.572517	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1451764"	103.514317	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"241459"	376.150226	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1218545"	209.092026	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1199147"	105.049651	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"196393"	379.08756	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"639602"	546.14576	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1144200"	212.02936	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"179472"	190.047418	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"621219"	273.576518	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1123629"	106.518318	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1399864"	71.3479706666667	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1430155"	214.070946	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"220335"	195.08044	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1510098"	228.12299	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"408645"	198.034388	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"769967"	281.563488	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1665586"	114.505288	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"251847"	398.132168	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1226419"	231.073968	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1715965"	231.097493	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1182049"	78.6752846666667	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1650359"	236.052888	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"158071"	411.03544	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"600181"	578.09364	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1085785"	243.97724	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"147347"	206.021358	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"585814"	289.550458	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1079077"	122.492258	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1110101"	245.991792	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1346485"	246.079407	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1013921"	250.118576	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1536421"	251.112208	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"1001778"	125.562926	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1600657"	252.026828	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1421941"	282.058338	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1160980"	146.076201	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1703969"	299.084885	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1638529"	304.04028	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1576366"	320.01422	"C12323"	"L-4-Hydroxyphenylglycine"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"810014"	917.1469	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M"	0
"983546"	898.12851	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-H2O-H"	-19.01839
"65226"	610.423990666667	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M-3H"	-3.021828
"506972"	916.139624	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M-3H"	-3.021828
"882591"	304.708357333333	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-3H"	-3.021828
"516"	916.139624	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M-2H"	-2.014552
"440555"	1374.713074	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M-2H"	-2.014552
"820717"	457.566174	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-2H"	-2.014552
"78842"	1833.286524	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M-H"	-1.007276
"525738"	2750.433424	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M-H"	-1.007276
"900257"	916.139624	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-H"	-1.007276
"53541"	1850.313071	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M-2H+NH4"	16.019271
"490916"	2767.459971	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M-2H+NH4"	16.019271
"866528"	933.166171	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-2H+NH4"	16.019271
"36622"	1855.268466	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M-2H+Na"	20.974666
"475087"	2772.415366	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M-2H+Na"	20.974666
"849129"	938.121566	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-2H+Na"	20.974666
"1624616"	938.121566	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Na-2H"	20.974666
"104423"	934.127963	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M-H+Cl"	33.962126
"536327"	1392.701413	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M-H+Cl"	33.962126
"928018"	475.554513	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-H+Cl"	33.962126
"268399"	1869.263202	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+Cl"	34.969402
"660935"	2786.410102	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+Cl"	34.969402
"1273586"	952.116302	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Cl"	34.969402
"17970"	1871.242406	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M-2H+K"	36.948606
"457164"	2788.389306	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M-2H+K"	36.948606
"832840"	954.095506	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-2H+K"	36.948606
"1555643"	954.095506	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+K-2H"	36.948606
"947070"	962.145094	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-H+HCOOH"	44.998194
"367107"	1879.292001	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+HCOOH-H"	44.998201
"348803"	1893.307651	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+Hac-H"	59.013851
"1496547"	976.160751	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Hac-H"	59.013851
"960806"	984.127051	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-H+NaCOOH"	66.980151
"113365"	952.116302	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+2Cl"	69.938804
"555840"	1410.689752	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+2Cl"	69.938804
"1024637"	493.542852	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2Cl"	69.938804
"1247498"	996.065785	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Br"	78.918885
"1304351"	998.121772	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Cl+HCOOH"	80.974872
"1323070"	1020.103729	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Cl+NaCOOH"	102.956829
"913032"	1030.132486	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M-H+CF3COOH"	112.985586
"1295216"	1066.109164	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Cl+CF3COOH"	148.962264
"1377750"	882.134224	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H-2H2O"	-35.012676
"1389781"	900.1442	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H-H2O"	-17.0027
"288373"	1835.301076	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+H"	1.007276
"679702"	2752.447976	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+H"	1.007276
"1351668"	918.154176	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H"	1.007276
"126498"	918.154176	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+2H"	2.014552
"566180"	1376.727626	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+2H"	2.014552
"1037206"	459.580726	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2H"	2.014552
"204824"	612.438542666667	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+3H"	3.021828
"645476"	918.154176	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+3H"	3.021828
"1164694"	306.722909333333	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+3H"	3.021828
"424927"	1852.327623	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+NH4"	18.033823
"787140"	2769.474523	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+NH4"	18.033823
"1681654"	935.180723	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+NH4"	18.033823
"331144"	926.6674495	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+H+NH4"	19.041099
"734030"	1385.2408995	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+H+NH4"	19.041099
"1486755"	468.0939995	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H+NH4"	19.041099
"404347"	1857.283018	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+Na"	22.989218
"767162"	2774.429918	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+Na"	22.989218
"1609061"	940.136118	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Na"	22.989218
"324934"	929.145147	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+H+Na"	23.996494
"714800"	1387.718597	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+H+Na"	23.996494
"1476408"	470.571697	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H+Na"	23.996494
"1066247"	314.050223333333	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2H+Na"	25.00377
"1271085"	950.180386	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+CH3OH+H"	33.033486
"388688"	1873.256958	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+K"	38.963158
"748596"	2790.403858	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+K"	38.963158
"1553204"	956.110058	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+K"	38.963158
"309646"	937.132117	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+H+K"	39.970434
"696963"	1395.705567	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+H+K"	39.970434
"1450781"	478.558667	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H+K"	39.970434
"243753"	1876.327626	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+ACN+H"	42.033826
"1215372"	959.180726	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+ACN+H"	42.033826
"1199256"	480.094001	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+ACN+2H"	43.041102
"199420"	1879.26496	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+2Na-H"	44.97116
"637159"	2796.41186	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+2Na-H"	44.97116
"1140665"	962.11806	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2Na-H"	44.97116
"181768"	940.136118	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+2Na"	45.978436
"621328"	1398.709568	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+2Na"	45.978436
"1123740"	481.562668	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2Na"	45.978436
"1398794"	321.377537333333	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H+2Na"	46.985712
"1429887"	964.159646	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H+HCOOH"	47.012746
"221540"	945.16914	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+3H2O+2H"	56.04448
"1509358"	978.21169	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+IsoProp+H"	61.06479
"408715"	948.123088	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+Na+K"	61.952376
"770077"	1406.696538	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+Na+K"	61.952376
"1665758"	489.549638	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Na+K"	61.952376
"251712"	1898.309568	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+ACN+Na"	64.015768
"1225962"	981.162668	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+ACN+Na"	64.015768
"1715711"	981.186193	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+NH4+HCOOH"	64.039293
"1179482"	328.704851333333	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+3Na"	68.967654
"1650591"	986.141588	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Na+HCOOH"	68.994688
"158910"	1911.21284	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+2K-H"	76.91904
"599198"	2828.35974	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+2K-H"	76.91904
"1085532"	994.06594	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2K-H"	76.91904
"144175"	956.110058	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"2M+2K"	77.926316
"587017"	1414.683508	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"3M+2K"	77.926316
"1079187"	497.536608	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2K"	77.926316
"1109117"	996.080492	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2K+H"	78.933592
"1345501"	996.168107	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+DMSO+H"	79.021207
"1012936"	1000.207276	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2ACN+H"	83.060376
"1535437"	1001.200908	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+IsoProp+Na+H"	84.054008
"1000795"	500.607276	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+2ACN+2H"	84.067652
"1601132"	1002.115528	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+K+HCOOH"	84.968628
"1419864"	1032.147038	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+H+CF3COOH"	115.000138
"1152342"	521.120551	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+3ACN+2H"	125.094202
"1704079"	1049.173585	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+NH4+CF3COOH"	132.026685
"1638639"	1054.12898	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+Na+CF3COOH"	136.98208
"1576476"	1070.10292	"C12324"	"35-Dihydroxyphenylacetyl-CoA"	"C29H42N7O19P3S"	"917.1469"	"M+K+CF3COOH"	152.95602
"810124"	182.0215	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M"	0
"983656"	163.00311	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-H2O-H"	-19.01839
"69712"	120.340390666667	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M-3H"	-3.021828
"510365"	181.014224	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M-3H"	-3.021828
"883792"	59.6665573333333	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-3H"	-3.021828
"5647"	181.014224	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M-2H"	-2.014552
"448488"	272.024974	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M-2H"	-2.014552
"819004"	90.003474	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-2H"	-2.014552
"80818"	363.035724	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M-H"	-1.007276
"528768"	545.057224	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M-H"	-1.007276
"907665"	181.014224	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-H"	-1.007276
"58025"	380.062271	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M-2H+NH4"	16.019271
"495402"	562.083771	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M-2H+NH4"	16.019271
"873199"	198.040771	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-2H+NH4"	16.019271
"36732"	385.017666	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M-2H+Na"	20.974666
"479574"	567.039166	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M-2H+Na"	20.974666
"851913"	202.996166	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-2H+Na"	20.974666
"1628008"	202.996166	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Na-2H"	20.974666
"95789"	199.002563	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M-H+Cl"	33.962126
"536442"	290.013313	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M-H+Cl"	33.962126
"927278"	107.991813	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-H+Cl"	33.962126
"269601"	399.012402	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+Cl"	34.969402
"661414"	581.033902	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+Cl"	34.969402
"1275522"	216.990902	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Cl"	34.969402
"18079"	400.991606	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M-2H+K"	36.948606
"458367"	583.013106	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M-2H+K"	36.948606
"834104"	218.970106	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-2H+K"	36.948606
"1556742"	218.970106	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+K-2H"	36.948606
"950100"	227.019694	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-H+HCOOH"	44.998194
"366127"	409.041201	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+HCOOH-H"	44.998201
"348550"	423.056851	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+Hac-H"	59.013851
"1501031"	241.035351	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Hac-H"	59.013851
"960552"	249.001651	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-H+NaCOOH"	66.980151
"115298"	216.990902	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+2Cl"	69.938804
"551941"	308.001652	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+2Cl"	69.938804
"1024386"	125.980152	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2Cl"	69.938804
"1247611"	260.940385	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Br"	78.918885
"1306778"	262.996372	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Cl+HCOOH"	80.974872
"1328650"	284.978329	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Cl+NaCOOH"	102.956829
"920437"	295.007086	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M-H+CF3COOH"	112.985586
"1293138"	330.983764	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Cl+CF3COOH"	148.962264
"1374581"	147.008824	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H-2H2O"	-35.012676
"1390983"	165.0188	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H-H2O"	-17.0027
"285203"	365.050276	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+H"	1.007276
"676894"	547.071776	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+H"	1.007276
"1353974"	183.028776	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H"	1.007276
"126737"	183.028776	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+2H"	2.014552
"566293"	274.039526	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+2H"	2.014552
"1037122"	92.018026	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2H"	2.014552
"205178"	122.354942666667	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+3H"	3.021828
"644491"	183.028776	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+3H"	3.021828
"1163346"	61.6811093333333	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+3H"	3.021828
"425523"	382.076823	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+NH4"	18.033823
"786520"	564.098323	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+NH4"	18.033823
"1682852"	200.055323	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+NH4"	18.033823
"330124"	191.5420495	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+H+NH4"	19.041099
"735233"	282.5527995	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+H+NH4"	19.041099
"1489058"	100.5312995	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H+NH4"	19.041099
"407503"	387.032218	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+Na"	22.989218
"768369"	569.053718	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+Na"	22.989218
"1616103"	205.010718	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Na"	22.989218
"328086"	194.019747	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+H+Na"	23.996494
"722090"	285.030497	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+H+Na"	23.996494
"1475911"	103.008997	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H+Na"	23.996494
"1066723"	69.0084233333333	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2H+Na"	25.00377
"1270956"	215.054986	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+CH3OH+H"	33.033486
"387707"	403.006158	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+K"	38.963158
"749800"	585.027658	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+K"	38.963158
"1553677"	220.984658	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+K"	38.963158
"312310"	202.006717	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+H+K"	39.970434
"704730"	293.017467	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+H+K"	39.970434
"1456362"	110.995967	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H+K"	39.970434
"247880"	406.076826	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+ACN+H"	42.033826
"1218765"	224.055326	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+ACN+H"	42.033826
"1206295"	112.531301	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+ACN+2H"	43.041102
"199168"	409.01416	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+2Na-H"	44.97116
"633990"	591.03566	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+2Na-H"	44.97116
"1140777"	226.99266	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2Na-H"	44.97116
"178597"	205.010718	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+2Na"	45.978436
"620345"	296.021468	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+2Na"	45.978436
"1123850"	113.999968	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2Na"	45.978436
"1401907"	76.3357373333333	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H+2Na"	46.985712
"1430744"	229.034246	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H+HCOOH"	47.012746
"220151"	210.04374	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+3H2O+2H"	56.04448
"1508614"	243.08629	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+IsoProp+H"	61.06479
"408569"	212.997688	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+Na+K"	61.952376
"770392"	304.008438	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+Na+K"	61.952376
"1667700"	121.986938	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Na+K"	61.952376
"251606"	428.058768	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+ACN+Na"	64.015768
"1226200"	246.037268	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+ACN+Na"	64.015768
"1715821"	246.060793	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+NH4+HCOOH"	64.039293
"1184458"	83.6630513333333	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+3Na"	68.967654
"1655445"	251.016188	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Na+HCOOH"	68.994688
"162305"	440.96204	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+2K-H"	76.91904
"606239"	622.98354	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+2K-H"	76.91904
"1089655"	258.94054	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2K-H"	76.91904
"146109"	220.984658	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"2M+2K"	77.926316
"588223"	311.995408	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"3M+2K"	77.926316
"1082581"	129.973908	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2K"	77.926316
"1111414"	260.955092	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2K+H"	78.933592
"1346707"	261.042707	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+DMSO+H"	79.021207
"1015238"	265.081876	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2ACN+H"	83.060376
"1532269"	266.075508	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+IsoProp+Na+H"	84.054008
"996529"	133.044576	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+2ACN+2H"	84.067652
"1595405"	266.990128	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+K+HCOOH"	84.968628
"1421064"	297.021638	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+H+CF3COOH"	115.000138
"1151351"	153.557851	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+3ACN+2H"	125.094202
"1699810"	314.048185	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+NH4+CF3COOH"	132.026685
"1636556"	319.00358	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+Na+CF3COOH"	136.98208
"1576586"	334.97752	"C12325"	"35-Dihydroxyphenylglyoxylate;2-(35-Dihydroxyphenyl)-2-oxoacetate"	"C8H6O5"	"182.0215"	"M+K+CF3COOH"	152.95602
"810234"	327.1471	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M"	0
"983766"	308.12871	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"68729"	217.090790666667	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"509382"	326.139824	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"884996"	108.041757333333	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"9037"	326.139824	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"449692"	489.713374	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"818385"	162.566274	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"79468"	653.286924	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"528880"	980.434024	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"907409"	326.139824	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"59229"	670.313471	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"492230"	997.460571	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"868935"	343.166371	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"40122"	675.268866	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"480778"	1002.415966	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"858584"	348.121766	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1630306"	348.121766	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"101366"	344.128163	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"536916"	507.701713	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"928971"	180.554613	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"270805"	689.263602	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"662497"	1016.410702	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1275632"	362.116502	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"16970"	691.242806	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"456410"	1018.389906	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"833848"	364.095706	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1558675"	364.095706	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"954219"	372.145294	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"366237"	699.292401	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"348660"	713.308051	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1502599"	386.160951	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"966496"	394.127251	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"113219"	362.116502	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"553873"	525.690052	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1024132"	198.542952	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1248814"	406.065985	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1309804"	408.121972	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1332040"	430.103929	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"917631"	440.132686	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1300903"	476.109364	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1374692"	292.134424	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1391094"	310.1444	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"288593"	655.301476	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"679921"	982.448576	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1352258"	328.154376	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"126238"	328.154376	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"565723"	491.727926	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1037196"	164.580826	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"204682"	219.105342666667	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"644968"	328.154376	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1164914"	110.056309333333	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"426727"	672.328023	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"786635"	999.475123	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1682477"	345.180923	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"330272"	336.6676495	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"729874"	500.2411995	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1490259"	173.0940995	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"408300"	677.283418	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"768843"	1004.430518	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1617306"	350.136318	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"328437"	339.145347	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"718305"	502.718897	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1471037"	175.571797	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1062096"	117.383623333333	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1268150"	360.180586	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"385631"	693.257358	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"752096"	1020.404458	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1554642"	366.110258	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"313399"	347.132317	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"704476"	510.705867	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1454285"	183.558767	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"241794"	696.328026	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1217781"	369.180926	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1204945"	185.094101	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"197820"	699.26536	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"636287"	1026.41246	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1141616"	372.11826	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"175428"	350.136318	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"620456"	513.709868	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1123962"	186.562768	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1402017"	124.710937333333	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1430487"	374.159846	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"222734"	355.16934	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1509457"	388.21189	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"409631"	358.123288	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"770503"	521.696838	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1666590"	194.549738	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"252017"	718.309968	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1226062"	391.162868	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1713374"	391.186393	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1182380"	132.038251333333	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1651907"	396.141788	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"159134"	731.21324	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"601972"	1058.36034	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1085026"	404.06614	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"145854"	366.110258	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"588334"	529.683808	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1077222"	202.536708	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1104964"	406.080692	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1345723"	406.168307	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1016441"	410.207476	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1532379"	411.201108	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"996639"	205.607376	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1593328"	412.115728	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1424454"	442.147238	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1151461"	226.120651	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1702107"	459.173785	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1634843"	464.12918	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1576696"	480.10312	"C12326"	"(RS)-Scoulerine;Scoulerine"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"810344"	301.1314	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M"	0
"983876"	282.11301	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-H2O-H"	-19.01839
"72119"	199.746990666667	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M-3H"	-3.021828
"509492"	300.124124	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M-3H"	-3.021828
"885106"	99.3698573333333	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-3H"	-3.021828
"8054"	300.124124	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H"	-2.014552
"448709"	450.689824	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H"	-2.014552
"818612"	149.558424	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-2H"	-2.014552
"80425"	601.255524	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M-H"	-1.007276
"527163"	902.386924	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M-H"	-1.007276
"904965"	300.124124	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-H"	-1.007276
"57151"	618.282071	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H+NH4"	16.019271
"491246"	919.413471	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H+NH4"	16.019271
"866853"	317.150671	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-2H+NH4"	16.019271
"35857"	623.237466	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H+Na"	20.974666
"477608"	924.368866	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H+Na"	20.974666
"855410"	322.106066	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-2H+Na"	20.974666
"1621662"	322.106066	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Na-2H"	20.974666
"95397"	318.112463	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M-H+Cl"	33.962126
"534954"	468.678163	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M-H+Cl"	33.962126
"928349"	167.546763	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-H+Cl"	33.962126
"270186"	637.232202	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+Cl"	34.969402
"661389"	938.363602	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+Cl"	34.969402
"1274402"	336.100802	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl"	34.969402
"17932"	639.211406	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M-2H+K"	36.948606
"457369"	940.342806	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M-2H+K"	36.948606
"835290"	338.080006	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-2H+K"	36.948606
"1555855"	338.080006	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+K-2H"	36.948606
"951413"	346.129594	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-H+HCOOH"	44.998194
"365982"	647.261001	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+HCOOH-H"	44.998201
"349133"	661.276651	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+Hac-H"	59.013851
"1497604"	360.145251	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Hac-H"	59.013851
"965513"	368.111551	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-H+NaCOOH"	66.980151
"113330"	336.100802	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+2Cl"	69.938804
"552161"	486.666502	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+2Cl"	69.938804
"1023150"	185.535102	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2Cl"	69.938804
"1244185"	380.050285	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Br"	78.918885
"1307361"	382.106272	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl+HCOOH"	80.974872
"1326683"	404.088229	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl+NaCOOH"	102.956829
"915189"	414.116986	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M-H+CF3COOH"	112.985586
"1298826"	450.093664	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Cl+CF3COOH"	148.962264
"1370428"	266.118724	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H-2H2O"	-35.012676
"1394485"	284.1287	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H-H2O"	-17.0027
"286516"	603.270076	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+H"	1.007276
"677477"	904.401476	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+H"	1.007276
"1352370"	302.138676	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H"	1.007276
"127810"	302.138676	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+2H"	2.014552
"566273"	452.704376	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+2H"	2.014552
"1037139"	151.572976	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2H"	2.014552
"205276"	201.761542666667	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+3H"	3.021828
"645204"	302.138676	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+3H"	3.021828
"1163690"	101.384409333333	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+3H"	3.021828
"424896"	620.296623	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+NH4"	18.033823
"785852"	921.428023	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+NH4"	18.033823
"1681532"	319.165223	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+NH4"	18.033823
"330304"	310.6519495	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+H+NH4"	19.041099
"728891"	461.2176495	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+H+NH4"	19.041099
"1491463"	160.0862495	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H+NH4"	19.041099
"403580"	625.252018	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+Na"	22.989218
"765669"	926.383418	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+Na"	22.989218
"1608298"	324.120618	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Na"	22.989218
"322713"	313.129647	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+H+Na"	23.996494
"715135"	463.695347	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+H+Na"	23.996494
"1474426"	162.563947	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H+Na"	23.996494
"1063299"	108.711723333333	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2H+Na"	25.00377
"1264977"	334.164886	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+CH3OH+H"	33.033486
"384647"	641.225958	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+K"	38.963158
"751113"	942.357358	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+K"	38.963158
"1555548"	340.094558	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+K"	38.963158
"314153"	321.116617	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+H+K"	39.970434
"702763"	471.682317	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+H+K"	39.970434
"1454395"	170.550917	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H+K"	39.970434
"241903"	644.296626	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+ACN+H"	42.033826
"1215703"	343.165226	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+ACN+H"	42.033826
"1203962"	172.086251	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+ACN+2H"	43.041102
"199022"	647.23396	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+2Na-H"	44.97116
"636397"	948.36536	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+2Na-H"	44.97116
"1139176"	346.10256	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2Na-H"	44.97116
"183191"	324.120618	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+2Na"	45.978436
"620566"	474.686318	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+2Na"	45.978436
"1125165"	173.554918	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2Na"	45.978436
"1402491"	116.039037333333	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H+2Na"	46.985712
"1433151"	348.144146	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H+HCOOH"	47.012746
"222845"	329.15364	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+3H2O+2H"	56.04448
"1510536"	362.19619	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+IsoProp+H"	61.06479
"410101"	332.107588	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+Na+K"	61.952376
"770610"	482.673288	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+Na+K"	61.952376
"1666334"	181.541888	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Na+K"	61.952376
"252733"	666.278568	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+ACN+Na"	64.015768
"1226658"	365.147168	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+ACN+Na"	64.015768
"1715669"	365.170693	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+NH4+HCOOH"	64.039293
"1184677"	123.366351333333	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+3Na"	68.967654
"1652382"	370.126088	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Na+HCOOH"	68.994688
"159242"	679.18184	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+2K-H"	76.91904
"599166"	980.31324	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+2K-H"	76.91904
"1085864"	378.05044	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2K-H"	76.91904
"146693"	340.094558	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"2M+2K"	77.926316
"590630"	490.660258	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"3M+2K"	77.926316
"1078425"	189.528858	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2K"	77.926316
"1107260"	380.064992	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2K+H"	78.933592
"1345833"	380.152607	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+DMSO+H"	79.021207
"1016551"	384.191776	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2ACN+H"	83.060376
"1532489"	385.185408	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+IsoProp+Na+H"	84.054008
"995656"	192.599526	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+2ACN+2H"	84.067652
"1592345"	386.100028	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+K+HCOOH"	84.968628
"1425657"	416.131538	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+H+CF3COOH"	115.000138
"1152665"	213.112801	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+3ACN+2H"	125.094202
"1702217"	433.158085	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+NH4+CF3COOH"	132.026685
"1635682"	438.11348	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+Na+CF3COOH"	136.98208
"1576806"	454.08742	"C12327"	"Laudanosoline;(RS)-Laudanosoline"	"C17H19NO4"	"301.1314"	"M+K+CF3COOH"	152.95602
"810454"	329.1627	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M"	0
"982893"	310.14431	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-H2O-H"	-19.01839
"74418"	218.434524	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M-3H"	-3.021828
"511791"	328.155424	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M-3H"	-3.021828
"887405"	108.713624	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-3H"	-3.021828
"5982"	328.155424	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H"	-2.014552
"449915"	492.736774	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H"	-2.014552
"820427"	163.574074	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H"	-2.014552
"78675"	657.318124	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M-H"	-1.007276
"523993"	986.480824	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M-H"	-1.007276
"906168"	328.155424	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-H"	-1.007276
"52889"	674.344671	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H+NH4"	16.019271
"491356"	1003.507371	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H+NH4"	16.019271
"868062"	345.181971	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H+NH4"	16.019271
"37060"	679.300066	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H+Na"	20.974666
"480998"	1008.462766	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H+Na"	20.974666
"855520"	350.137366	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H+Na"	20.974666
"1620678"	350.137366	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na-2H"	20.974666
"97209"	346.143763	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M-H+Cl"	33.962126
"536041"	510.725113	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M-H+Cl"	33.962126
"927606"	181.562413	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+Cl"	33.962126
"269931"	693.294802	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Cl"	34.969402
"661622"	1022.457502	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+Cl"	34.969402
"1274025"	364.132102	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl"	34.969402
"16337"	695.274006	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M-2H+K"	36.948606
"456384"	1024.436706	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M-2H+K"	36.948606
"832798"	366.111306	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-2H+K"	36.948606
"1555718"	366.111306	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+K-2H"	36.948606
"948243"	374.160894	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+HCOOH"	44.998194
"365728"	703.323601	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+HCOOH-H"	44.998201
"348149"	717.339251	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Hac-H"	59.013851
"1495157"	388.176551	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Hac-H"	59.013851
"965623"	396.142851	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+NaCOOH"	66.980151
"113075"	364.132102	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2Cl"	69.938804
"553364"	528.713452	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2Cl"	69.938804
"1023988"	199.550752	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2Cl"	69.938804
"1244293"	408.081585	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Br"	78.918885
"1307471"	410.137572	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl+HCOOH"	80.974872
"1323148"	432.119529	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl+NaCOOH"	102.956829
"913111"	442.148286	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M-H+CF3COOH"	112.985586
"1298936"	478.124964	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Cl+CF3COOH"	148.962264
"1371632"	294.150024	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H-2H2O"	-35.012676
"1393502"	312.16	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H-H2O"	-17.0027
"288814"	659.332676	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H"	1.007276
"676983"	988.495376	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H"	1.007276
"1351994"	330.169976	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H"	1.007276
"127677"	330.169976	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2H"	2.014552
"566262"	494.751326	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2H"	2.014552
"1037095"	165.588626	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2H"	2.014552
"204902"	220.449076	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+3H"	3.021828
"645559"	330.169976	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+3H"	3.021828
"1163316"	110.728176	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+3H"	3.021828
"424558"	676.359223	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+NH4"	18.033823
"786486"	1005.521923	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+NH4"	18.033823
"1681358"	347.196523	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+NH4"	18.033823
"330251"	338.6832495	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H+NH4"	19.041099
"729001"	503.2645995	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H+NH4"	19.041099
"1490480"	174.1018995	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+NH4"	19.041099
"404783"	681.314618	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Na"	22.989218
"765779"	1010.477318	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+Na"	22.989218
"1608408"	352.151918	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na"	22.989218
"322823"	341.160947	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H+Na"	23.996494
"714152"	505.742297	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H+Na"	23.996494
"1473442"	176.579597	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+Na"	23.996494
"1064501"	118.05549	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2H+Na"	25.00377
"1268367"	362.196186	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+CH3OH+H"	33.033486
"386944"	697.288558	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+K"	38.963158
"745755"	1026.451258	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+K"	38.963158
"1554737"	368.125858	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+K"	38.963158
"313614"	349.147917	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+H+K"	39.970434
"702873"	513.729267	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+H+K"	39.970434
"1454505"	184.566567	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+K"	39.970434
"242013"	700.359226	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+ACN+H"	42.033826
"1219092"	371.196526	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+ACN+H"	42.033826
"1208812"	186.101901	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+ACN+2H"	43.041102
"199861"	703.29656	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2Na-H"	44.97116
"643069"	1032.45926	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2Na-H"	44.97116
"1144388"	374.13386	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2Na-H"	44.97116
"178202"	352.151918	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2Na"	45.978436
"622863"	516.733268	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2Na"	45.978436
"1120903"	187.570568	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2Na"	45.978436
"1402603"	125.382804	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+2Na"	46.985712
"1434354"	376.175446	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+HCOOH"	47.012746
"225142"	357.18494	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+3H2O+2H"	56.04448
"1510288"	390.22749	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+IsoProp+H"	61.06479
"410704"	360.138888	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+Na+K"	61.952376
"772427"	524.720238	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+Na+K"	61.952376
"1666935"	195.557538	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na+K"	61.952376
"252489"	722.341168	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+ACN+Na"	64.015768
"1227988"	393.178468	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+ACN+Na"	64.015768
"1715051"	393.201993	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+NH4+HCOOH"	64.039293
"1179032"	132.710118	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+3Na"	68.967654
"1652492"	398.157388	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na+HCOOH"	68.994688
"158624"	735.24444	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2K-H"	76.91904
"598913"	1064.40714	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2K-H"	76.91904
"1085973"	406.08174	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2K-H"	76.91904
"148991"	368.125858	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"2M+2K"	77.926316
"591834"	532.707208	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"3M+2K"	77.926316
"1082909"	203.544508	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2K"	77.926316
"1111385"	408.096292	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2K+H"	78.933592
"1345945"	408.183907	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+DMSO+H"	79.021207
"1017756"	412.223076	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2ACN+H"	83.060376
"1535881"	413.216708	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+IsoProp+Na+H"	84.054008
"1001235"	206.615176	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+2ACN+2H"	84.067652
"1597926"	414.131328	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+K+HCOOH"	84.968628
"1422489"	444.162838	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+H+CF3COOH"	115.000138
"1154963"	227.128451	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+3ACN+2H"	125.094202
"1701236"	461.189385	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+NH4+CF3COOH"	132.026685
"1637979"	466.14478	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+Na+CF3COOH"	136.98208
"1576916"	482.11872	"C12328"	"Reticuline;(RS)-Reticuline"	"C19H23NO4"	"329.1627"	"M+K+CF3COOH"	152.95602
"810564"	315.1471	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M"	0
"983003"	296.12871	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"76716"	209.090790666667	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"511902"	314.139824	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"888609"	104.041757333333	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"11560"	314.139824	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"448932"	471.713374	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"822360"	156.566274	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"78947"	629.286924	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"521916"	944.434024	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"901904"	314.139824	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"50083"	646.313471	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"487939"	961.460571	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"866349"	331.166371	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"33891"	651.268866	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"478921"	966.415966	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"856724"	336.121766	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1622975"	336.121766	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"97319"	332.128163	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"534727"	489.701713	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"927347"	174.554613	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"267975"	665.263602	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"661003"	980.410702	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1273523"	350.116502	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"16119"	667.242806	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"456368"	982.389906	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"832989"	352.095706	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1555609"	352.095706	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"943360"	360.145294	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"366567"	675.292401	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"347896"	689.308051	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1494902"	374.160951	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"963547"	382.127251	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"112456"	350.116502	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"551653"	507.690052	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1023006"	192.542952	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1243674"	394.065985	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1306853"	396.121972	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1322530"	418.103929	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"913221"	428.132686	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1299046"	464.109364	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1372835"	280.134424	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1393612"	298.1444	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"286737"	631.301476	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"677336"	946.448576	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1353320"	316.154376	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"129488"	316.154376	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"566736"	473.727926	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1037102"	158.580826	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"205378"	211.105342666667	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"646033"	316.154376	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1162788"	106.056309333333	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"425964"	648.328023	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"786474"	963.475123	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1681588"	333.180923	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"330131"	324.6676495	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"729111"	482.2411995	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1490226"	167.0940995	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"406958"	653.283418	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"762607"	968.430518	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1603778"	338.136318	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"322933"	327.145347	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"713169"	484.718897	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1471364"	169.571797	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1063518"	113.383623333333	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1265198"	348.180586	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"384867"	669.257358	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"742585"	984.404458	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1555376"	354.110258	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"312752"	335.132317	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"703712"	492.705867	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1453522"	177.558767	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"242123"	672.328026	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1218110"	357.180926	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1204547"	179.094101	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"201066"	675.26536	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"642332"	990.41246	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1142312"	360.11826	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"177218"	338.136318	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"620788"	495.709868	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1119917"	180.562768	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1403077"	120.710937333333	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1436652"	362.159846	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"221973"	343.16934	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1509671"	376.21189	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"408579"	346.123288	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"769983"	503.696838	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1665991"	188.549738	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"253199"	694.309968	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1226274"	379.162868	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1714430"	379.186393	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1179791"	128.038251333333	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1651630"	384.141788	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"159585"	707.21324	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"597806"	1022.36034	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1086815"	392.06614	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"149103"	354.110258	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"589757"	511.683808	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1080832"	196.536708	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1112951"	394.080692	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1346055"	394.168307	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1019689"	398.207476	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1537085"	399.201108	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"1000252"	199.607376	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1600223"	400.115728	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1423692"	430.147238	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1159446"	220.120651	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1701346"	447.173785	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1636996"	452.12918	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1577026"	468.10312	"C12329"	"(RS)-Norreticuline;Norreticuline"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"810674"	299.1158	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M"	0
"984206"	280.09741	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-H2O-H"	-19.01839
"75733"	198.403257333333	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M-3H"	-3.021828
"510919"	298.108524	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M-3H"	-3.021828
"888719"	98.6979906666667	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-3H"	-3.021828
"11670"	298.108524	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M-2H"	-2.014552
"449042"	447.666424	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M-2H"	-2.014552
"821741"	148.550624	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-2H"	-2.014552
"86836"	597.224324	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M-H"	-1.007276
"527491"	896.340124	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M-H"	-1.007276
"905294"	298.108524	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-H"	-1.007276
"56389"	614.250871	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M-2H+NH4"	16.019271
"498135"	913.366671	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M-2H+NH4"	16.019271
"865483"	315.135071	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-2H+NH4"	16.019271
"31723"	619.206266	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M-2H+Na"	20.974666
"471656"	918.322066	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M-2H+Na"	20.974666
"851366"	320.090466	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-2H+Na"	20.974666
"1623085"	320.090466	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Na-2H"	20.974666
"98522"	316.096863	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M-H+Cl"	33.962126
"534343"	465.654763	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M-H+Cl"	33.962126
"927075"	166.538963	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-H+Cl"	33.962126
"267597"	633.201002	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+Cl"	34.969402
"660338"	932.316802	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+Cl"	34.969402
"1272914"	334.085202	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Cl"	34.969402
"15725"	635.180206	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M-2H+K"	36.948606
"455950"	934.296006	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M-2H+K"	36.948606
"832943"	336.064406	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-2H+K"	36.948606
"1555744"	336.064406	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+K-2H"	36.948606
"944447"	344.113994	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-H+HCOOH"	44.998194
"362301"	643.229801	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+HCOOH-H"	44.998201
"348370"	657.245451	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+Hac-H"	59.013851
"1493109"	358.129651	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Hac-H"	59.013851
"958619"	366.095951	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-H+NaCOOH"	66.980151
"110858"	334.085202	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+2Cl"	69.938804
"551391"	483.643102	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+2Cl"	69.938804
"1024200"	184.527302	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2Cl"	69.938804
"1241415"	378.034685	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Br"	78.918885
"1306230"	380.090672	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Cl+HCOOH"	80.974872
"1323364"	402.072629	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Cl+NaCOOH"	102.956829
"911872"	412.101386	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M-H+CF3COOH"	112.985586
"1299156"	448.078064	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Cl+CF3COOH"	148.962264
"1372945"	264.103124	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H-2H2O"	-35.012676
"1392629"	282.1131	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H-H2O"	-17.0027
"287940"	599.238876	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+H"	1.007276
"678175"	898.354676	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+H"	1.007276
"1353430"	300.123076	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H"	1.007276
"127412"	300.123076	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+2H"	2.014552
"566481"	449.680976	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+2H"	2.014552
"1037459"	150.565176	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2H"	2.014552
"205973"	200.417809333333	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+3H"	3.021828
"646509"	300.123076	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+3H"	3.021828
"1163289"	100.712542666667	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+3H"	3.021828
"425347"	616.265423	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+NH4"	18.033823
"786949"	915.381223	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+NH4"	18.033823
"1681948"	317.149623	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+NH4"	18.033823
"330711"	308.6363495	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+H+NH4"	19.041099
"729221"	458.1942495	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+H+NH4"	19.041099
"1488512"	159.0784495	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H+NH4"	19.041099
"403909"	621.220818	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+Na"	22.989218
"762717"	920.336618	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+Na"	22.989218
"1603400"	322.105018	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Na"	22.989218
"323043"	311.114047	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+H+Na"	23.996494
"713279"	460.671947	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+H+Na"	23.996494
"1466006"	161.556147	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H+Na"	23.996494
"1058158"	108.039856666667	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2H+Na"	25.00377
"1263118"	332.149286	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+CH3OH+H"	33.033486
"384973"	637.194758	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+K"	38.963158
"745972"	936.310558	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+K"	38.963158
"1548029"	338.078958	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+K"	38.963158
"303015"	319.101017	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+H+K"	39.970434
"699811"	468.658917	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+H+K"	39.970434
"1450349"	169.543117	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H+K"	39.970434
"237129"	640.265426	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+ACN+H"	42.033826
"1216032"	341.149626	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+ACN+H"	42.033826
"1204293"	171.078451	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+ACN+2H"	43.041102
"197167"	643.20276	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+2Na-H"	44.97116
"639644"	942.31856	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+2Na-H"	44.97116
"1134765"	344.08696	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2Na-H"	44.97116
"173316"	322.105018	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+2Na"	45.978436
"614698"	471.662918	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+2Na"	45.978436
"1116259"	172.547118	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2Na"	45.978436
"1399541"	115.367170666667	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H+2Na"	46.985712
"1430150"	346.128546	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H+HCOOH"	47.012746
"220260"	327.13804	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+3H2O+2H"	56.04448
"1508923"	360.18059	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+IsoProp+H"	61.06479
"408849"	330.091988	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+Na+K"	61.952376
"770203"	479.649888	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+Na+K"	61.952376
"1666058"	180.534088	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Na+K"	61.952376
"251504"	662.247368	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+ACN+Na"	64.015768
"1226216"	363.131568	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+ACN+Na"	64.015768
"1713111"	363.155093	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+NH4+HCOOH"	64.039293
"1180261"	122.694484666667	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+3Na"	68.967654
"1650889"	368.110488	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Na+HCOOH"	68.994688
"158601"	675.15064	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+2K-H"	76.91904
"598037"	974.26644	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+2K-H"	76.91904
"1085832"	376.03484	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2K-H"	76.91904
"148119"	338.078958	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"2M+2K"	77.926316
"586585"	487.636858	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"3M+2K"	77.926316
"1080941"	188.521058	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2K"	77.926316
"1113910"	378.049392	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2K+H"	78.933592
"1348354"	378.137007	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+DMSO+H"	79.021207
"1019068"	382.176176	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2ACN+H"	83.060376
"1536101"	383.169808	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+IsoProp+Na+H"	84.054008
"1001455"	191.591726	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+2ACN+2H"	84.067652
"1592676"	384.084428	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+K+HCOOH"	84.968628
"1422708"	414.115938	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+H+CF3COOH"	115.000138
"1159556"	212.105001	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+3ACN+2H"	125.094202
"1701456"	431.142485	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+NH4+CF3COOH"	132.026685
"1636013"	436.09788	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+Na+CF3COOH"	136.98208
"1577136"	452.07182	"C12330"	"23910-Tetrahydroxyberbine"	"C17H17NO4"	"299.1158"	"M+K+CF3COOH"	152.95602
"810784"	296.0923	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M"	0
"984316"	277.07391	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-H2O-H"	-19.01839
"77908"	196.387590666667	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M-3H"	-3.021828
"512122"	295.085024	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M-3H"	-3.021828
"891015"	97.6901573333333	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-3H"	-3.021828
"12873"	295.085024	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M-2H"	-2.014552
"449152"	443.131174	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M-2H"	-2.014552
"821487"	147.038874	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-2H"	-2.014552
"86946"	591.177324	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M-H"	-1.007276
"527601"	887.269624	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M-H"	-1.007276
"905404"	295.085024	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-H"	-1.007276
"55406"	608.203871	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M-2H+NH4"	16.019271
"498245"	904.296171	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M-2H+NH4"	16.019271
"865955"	312.111571	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-2H+NH4"	16.019271
"32642"	613.159266	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M-2H+Na"	20.974666
"472819"	909.251566	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M-2H+Na"	20.974666
"853662"	317.066966	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-2H+Na"	20.974666
"1621009"	317.066966	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Na-2H"	20.974666
"97538"	313.073363	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M-H+Cl"	33.962126
"536004"	461.119513	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M-H+Cl"	33.962126
"928424"	165.027213	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-H+Cl"	33.962126
"268194"	627.154002	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+Cl"	34.969402
"660610"	923.246302	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+Cl"	34.969402
"1273301"	331.061702	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Cl"	34.969402
"15850"	629.133206	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M-2H+K"	36.948606
"455861"	925.225506	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M-2H+K"	36.948606
"833095"	333.040906	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-2H+K"	36.948606
"1555936"	333.040906	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+K-2H"	36.948606
"945650"	341.090494	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-H+HCOOH"	44.998194
"364233"	637.182801	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+HCOOH-H"	44.998201
"349209"	651.198451	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+Hac-H"	59.013851
"1494759"	355.106151	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Hac-H"	59.013851
"958730"	363.072451	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-H+NaCOOH"	66.980151
"111211"	331.061702	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+2Cl"	69.938804
"550772"	479.107852	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+2Cl"	69.938804
"1022122"	183.015552	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2Cl"	69.938804
"1241577"	375.011185	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Br"	78.918885
"1305974"	377.067172	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Cl+HCOOH"	80.974872
"1322380"	399.049129	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Cl+NaCOOH"	102.956829
"912711"	409.077886	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M-H+CF3COOH"	112.985586
"1299266"	445.054564	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Cl+CF3COOH"	148.962264
"1373055"	261.079624	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H-2H2O"	-35.012676
"1392739"	279.0896	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H-H2O"	-17.0027
"289143"	593.191876	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+H"	1.007276
"680471"	889.284176	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+H"	1.007276
"1355726"	297.099576	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H"	1.007276
"129708"	297.099576	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+2H"	2.014552
"568536"	445.145726	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+2H"	2.014552
"1037573"	149.053426	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2H"	2.014552
"204419"	198.402142666667	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+3H"	3.021828
"644792"	297.099576	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+3H"	3.021828
"1163035"	99.7047093333334	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+3H"	3.021828
"424727"	610.218423	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+NH4"	18.033823
"786010"	906.310723	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+NH4"	18.033823
"1681487"	314.126123	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+NH4"	18.033823
"330213"	305.6128495	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+H+NH4"	19.041099
"727144"	453.6589995	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+H+NH4"	19.041099
"1489715"	157.5666995	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H+NH4"	19.041099
"400739"	615.173818	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+Na"	22.989218
"765014"	911.266118	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+Na"	22.989218
"1606914"	319.081518	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Na"	22.989218
"322059"	308.090547	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+H+Na"	23.996494
"715575"	456.136697	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+H+Na"	23.996494
"1467209"	160.044397	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H+Na"	23.996494
"1057174"	107.032023333333	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2H+Na"	25.00377
"1261041"	329.125786	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+CH3OH+H"	33.033486
"387270"	631.147758	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+K"	38.963158
"748268"	927.240058	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+K"	38.963158
"1544857"	335.055458	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+K"	38.963158
"306404"	316.077517	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+H+K"	39.970434
"694452"	464.123667	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+H+K"	39.970434
"1450457"	168.031367	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H+K"	39.970434
"246713"	634.218426	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+ACN+H"	42.033826
"1212862"	338.126126	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+ACN+H"	42.033826
"1196017"	169.566701	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+ACN+2H"	43.041102
"197275"	637.15576	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+2Na-H"	44.97116
"637930"	933.24806	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+2Na-H"	44.97116
"1134147"	341.06346	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2Na-H"	44.97116
"173175"	319.081518	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+2Na"	45.978436
"613266"	467.127668	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+2Na"	45.978436
"1117586"	171.035368	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2Na"	45.978436
"1399652"	114.359337333333	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H+2Na"	46.985712
"1430585"	343.105046	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H+HCOOH"	47.012746
"220238"	324.11454	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+3H2O+2H"	56.04448
"1508665"	357.15709	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+IsoProp+H"	61.06479
"409122"	327.068488	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+Na+K"	61.952376
"770269"	475.114638	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+Na+K"	61.952376
"1665592"	179.022338	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Na+K"	61.952376
"251608"	656.200368	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+ACN+Na"	64.015768
"1226114"	360.108068	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+ACN+Na"	64.015768
"1713180"	360.131593	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+NH4+HCOOH"	64.039293
"1179233"	121.686651333333	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+3Na"	68.967654
"1651727"	365.086988	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Na+HCOOH"	68.994688
"160775"	669.10364	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+2K-H"	76.91904
"599242"	965.19594	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+2K-H"	76.91904
"1085941"	373.01134	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2K-H"	76.91904
"147135"	335.055458	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"2M+2K"	77.926316
"584507"	483.101608	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"3M+2K"	77.926316
"1076677"	187.009308	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2K"	77.926316
"1113168"	375.025892	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2K+H"	78.933592
"1345184"	375.113507	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+DMSO+H"	79.021207
"1016991"	379.152676	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2ACN+H"	83.060376
"1534024"	380.146308	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+IsoProp+Na+H"	84.054008
"999378"	190.079976	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+2ACN+2H"	84.067652
"1592786"	381.060928	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+K+HCOOH"	84.968628
"1423911"	411.092438	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+H+CF3COOH"	115.000138
"1152012"	210.593251	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+3ACN+2H"	125.094202
"1702659"	428.118985	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+NH4+CF3COOH"	132.026685
"1636123"	433.07438	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+Na+CF3COOH"	136.98208
"1573966"	449.04832	"C12331"	"23910-Tetrahydroxyberberine"	"C17H14NO4"	"296.0923"	"M+K+CF3COOH"	152.95602
"816719"	421.2253	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M"	0
"984430"	402.20691	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-H2O-H"	-19.01839
"68298"	279.809590666667	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M-3H"	-3.021828
"508950"	420.218024	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M-3H"	-3.021828
"888941"	139.401157333333	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-3H"	-3.021828
"5328"	420.218024	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M-2H"	-2.014552
"449263"	630.830674	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M-2H"	-2.014552
"819776"	209.605374	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-2H"	-2.014552
"84872"	841.443324	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M-H"	-1.007276
"524433"	1262.668624	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M-H"	-1.007276
"905514"	420.218024	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-H"	-1.007276
"47980"	858.469871	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M-2H+NH4"	16.019271
"500551"	1279.695171	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M-2H+NH4"	16.019271
"871789"	437.244571	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-2H+NH4"	16.019271
"45162"	863.425266	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M-2H+Na"	20.974666
"484720"	1284.650566	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M-2H+Na"	20.974666
"853776"	442.199966	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-2H+Na"	20.974666
"1627682"	442.199966	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Na-2H"	20.974666
"100933"	438.206363	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M-H+Cl"	33.962126
"540492"	648.819013	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M-H+Cl"	33.962126
"936193"	227.593713	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-H+Cl"	33.962126
"273658"	877.420002	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+Cl"	34.969402
"661094"	1298.645302	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+Cl"	34.969402
"1273254"	456.194702	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Cl"	34.969402
"18122"	879.399206	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M-2H+K"	36.948606
"457802"	1300.624506	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M-2H+K"	36.948606
"839502"	458.173906	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-2H+K"	36.948606
"1558251"	458.173906	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+K-2H"	36.948606
"946501"	466.223494	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-H+HCOOH"	44.998194
"364714"	887.448801	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+HCOOH-H"	44.998201
"348597"	901.464451	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+Hac-H"	59.013851
"1497430"	480.239151	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Hac-H"	59.013851
"960228"	488.205451	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-H+NaCOOH"	66.980151
"112422"	456.194702	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+2Cl"	69.938804
"550391"	666.807352	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+2Cl"	69.938804
"1022354"	245.582052	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2Cl"	69.938804
"1242909"	500.144185	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Br"	78.918885
"1305110"	502.200172	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Cl+HCOOH"	80.974872
"1328330"	524.182129	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Cl+NaCOOH"	102.956829
"918295"	534.210886	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M-H+CF3COOH"	112.985586
"1298287"	570.187564	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Cl+CF3COOH"	148.962264
"1380821"	386.212624	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H-2H2O"	-35.012676
"1387382"	404.2226	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H-H2O"	-17.0027
"288161"	843.457876	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+H"	1.007276
"683861"	1264.683176	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+H"	1.007276
"1352190"	422.232576	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H"	1.007276
"129819"	422.232576	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+2H"	2.014552
"570470"	632.845226	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+2H"	2.014552
"1040363"	211.619926	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2H"	2.014552
"208263"	281.824142666667	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+3H"	3.021828
"644700"	422.232576	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+3H"	3.021828
"1165949"	141.415709333333	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+3H"	3.021828
"424642"	860.484423	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+NH4"	18.033823
"791317"	1281.709723	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+NH4"	18.033823
"1685458"	439.259123	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+NH4"	18.033823
"344681"	430.7458495	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+H+NH4"	19.041099
"737793"	641.3584995	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+H+NH4"	19.041099
"1490922"	220.1331995	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H+NH4"	19.041099
"407050"	865.439818	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+Na"	22.989218
"768051"	1286.665118	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+Na"	22.989218
"1615417"	444.214518	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Na"	22.989218
"327640"	433.223547	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+H+Na"	23.996494
"720061"	643.836197	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+H+Na"	23.996494
"1471701"	222.610897	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H+Na"	23.996494
"1062760"	148.743023333333	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2H+Na"	25.00377
"1266630"	454.258786	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+CH3OH+H"	33.033486
"387390"	881.413758	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+K"	38.963158
"745105"	1302.639058	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+K"	38.963158
"1549345"	460.188458	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+K"	38.963158
"309801"	441.210517	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+H+K"	39.970434
"704407"	651.823167	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+H+K"	39.970434
"1452759"	230.597867	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H+K"	39.970434
"241360"	884.484426	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+ACN+H"	42.033826
"1216257"	463.259126	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+ACN+H"	42.033826
"1203422"	232.133201	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+ACN+2H"	43.041102
"191920"	887.42176	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+2Na-H"	44.97116
"631842"	1308.64706	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+2Na-H"	44.97116
"1133889"	466.19646	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2Na-H"	44.97116
"175357"	444.214518	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+2Na"	45.978436
"612980"	654.827168	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+2Na"	45.978436
"1123526"	233.601868	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2Na"	45.978436
"1409238"	156.070337333333	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H+2Na"	46.985712
"1432605"	468.238046	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H+HCOOH"	47.012746
"220473"	449.24754	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+3H2O+2H"	56.04448
"1510363"	482.29009	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+IsoProp+H"	61.06479
"414426"	452.201488	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+Na+K"	61.952376
"770437"	662.814138	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+Na+K"	61.952376
"1665787"	241.588838	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Na+K"	61.952376
"251427"	906.466368	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+ACN+Na"	64.015768
"1234268"	485.241068	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+ACN+Na"	64.015768
"1716958"	485.264593	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+NH4+HCOOH"	64.039293
"1184131"	163.397651333333	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+3Na"	68.967654
"1652204"	490.219988	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Na+HCOOH"	68.994688
"161983"	919.36964	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+2K-H"	76.91904
"605918"	1340.59494	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+2K-H"	76.91904
"1096995"	498.14434	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2K-H"	76.91904
"155632"	460.188458	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"2M+2K"	77.926316
"592275"	670.801108	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"3M+2K"	77.926316
"1078977"	249.575808	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2K"	77.926316
"1113281"	500.158892	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2K+H"	78.933592
"1346387"	500.246507	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+DMSO+H"	79.021207
"1017105"	504.285676	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2ACN+H"	83.060376
"1535230"	505.279308	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+IsoProp+Na+H"	84.054008
"1000580"	252.646476	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+2ACN+2H"	84.067652
"1591805"	506.193928	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+K+HCOOH"	84.968628
"1422932"	536.225438	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+H+CF3COOH"	115.000138
"1153221"	273.159751	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+3ACN+2H"	125.094202
"1702773"	553.251985	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+NH4+CF3COOH"	132.026685
"1639519"	558.20738	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+Na+CF3COOH"	136.98208
"1571523"	574.18132	"C12332"	"Militarinone D"	"C26H31NO4"	"421.2253"	"M+K+CF3COOH"	152.95602
"811004"	459.2621	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M"	0
"977975"	440.24371	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-H2O-H"	-19.01839
"65856"	305.167457333333	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M-3H"	-3.021828
"505052"	458.254824	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M-3H"	-3.021828
"882490"	152.080090666667	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-3H"	-3.021828
"2885"	458.254824	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M-2H"	-2.014552
"447185"	687.885874	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M-2H"	-2.014552
"818427"	228.623774	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-2H"	-2.014552
"84982"	917.516924	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M-H"	-1.007276
"522356"	1376.779024	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M-H"	-1.007276
"905624"	458.254824	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-H"	-1.007276
"47483"	934.543471	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M-2H+NH4"	16.019271
"487149"	1393.805571	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M-2H+NH4"	16.019271
"874086"	475.281371	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-2H+NH4"	16.019271
"44179"	939.498866	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M-2H+Na"	20.974666
"480455"	1398.760966	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M-2H+Na"	20.974666
"853886"	480.236766	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-2H+Na"	20.974666
"1625605"	480.236766	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Na-2H"	20.974666
"103229"	476.243163	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M-H+Cl"	33.962126
"540602"	705.874213	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M-H+Cl"	33.962126
"934116"	246.612113	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-H+Cl"	33.962126
"273770"	953.493602	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+Cl"	34.969402
"661449"	1412.755702	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+Cl"	34.969402
"1278591"	494.231502	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Cl"	34.969402
"21150"	955.472806	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M-2H+K"	36.948606
"458156"	1414.734906	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M-2H+K"	36.948606
"839612"	496.210706	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-2H+K"	36.948606
"1559090"	496.210706	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+K-2H"	36.948606
"946611"	504.260294	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-H+HCOOH"	44.998194
"365552"	963.522401	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+HCOOH-H"	44.998201
"350894"	977.538051	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+Hac-H"	59.013851
"1497541"	518.275951	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Hac-H"	59.013851
"958881"	526.242251	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-H+NaCOOH"	66.980151
"111070"	494.231502	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+2Cl"	69.938804
"550010"	723.862552	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+2Cl"	69.938804
"1021539"	264.600452	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2Cl"	69.938804
"1242407"	538.180985	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Br"	78.918885
"1304977"	540.236972	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Cl+HCOOH"	80.974872
"1322972"	562.218929	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Cl+NaCOOH"	102.956829
"916219"	572.247686	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M-H+CF3COOH"	112.985586
"1294021"	608.224364	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Cl+CF3COOH"	148.962264
"1369263"	424.249424	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H-2H2O"	-35.012676
"1384209"	442.2594	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H-H2O"	-17.0027
"284260"	919.531476	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+H"	1.007276
"676355"	1378.793576	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+H"	1.007276
"1352663"	460.269376	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H"	1.007276
"126040"	460.269376	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+2H"	2.014552
"565961"	689.900426	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+2H"	2.014552
"1038650"	230.638326	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2H"	2.014552
"204337"	307.182009333333	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+3H"	3.021828
"644435"	460.269376	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+3H"	3.021828
"1162925"	154.094642666667	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+3H"	3.021828
"424318"	936.558023	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+NH4"	18.033823
"790332"	1395.820123	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+NH4"	18.033823
"1683379"	477.295923	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+NH4"	18.033823
"343332"	468.7826495	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+H+NH4"	19.041099
"737902"	698.4136995	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+H+NH4"	19.041099
"1492290"	239.1515995	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H+NH4"	19.041099
"404973"	941.513418	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+Na"	22.989218
"768156"	1400.775518	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+Na"	22.989218
"1616257"	482.251318	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Na"	22.989218
"327750"	471.260347	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+H+Na"	23.996494
"720171"	700.891397	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+H+Na"	23.996494
"1471811"	241.629297	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H+Na"	23.996494
"1064692"	161.421956666667	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2H+Na"	25.00377
"1268925"	492.295586	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+CH3OH+H"	33.033486
"386407"	957.487358	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+K"	38.963158
"745215"	1416.749458	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+K"	38.963158
"1549455"	498.225258	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+K"	38.963158
"309911"	479.247317	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+H+K"	39.970434
"704517"	708.878367	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+H+K"	39.970434
"1455056"	249.616267	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H+K"	39.970434
"245844"	960.558026	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+ACN+H"	42.033826
"1219648"	501.295926	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+ACN+H"	42.033826
"1204626"	251.151601	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+ACN+2H"	43.041102
"192395"	963.49536	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+2Na-H"	44.97116
"630859"	1422.75746	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+2Na-H"	44.97116
"1133272"	504.23326	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2Na-H"	44.97116
"176195"	482.251318	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+2Na"	45.978436
"621227"	711.882368	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+2Na"	45.978436
"1117075"	252.620268	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2Na"	45.978436
"1408255"	168.749270666667	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H+2Na"	46.985712
"1433808"	506.274846	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H+HCOOH"	47.012746
"220589"	487.28434	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+3H2O+2H"	56.04448
"1509744"	520.32689	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+IsoProp+H"	61.06479
"416722"	490.238288	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+Na+K"	61.952376
"770547"	719.869338	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+Na+K"	61.952376
"1665895"	260.607238	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Na+K"	61.952376
"251442"	982.539968	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+ACN+Na"	64.015768
"1234378"	523.277868	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+ACN+Na"	64.015768
"1715975"	523.301393	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+NH4+HCOOH"	64.039293
"1180962"	176.076584666667	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+3Na"	68.967654
"1651950"	528.256788	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Na+HCOOH"	68.994688
"162457"	995.44324	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+2K-H"	76.91904
"606028"	1454.70534	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+2K-H"	76.91904
"1096011"	536.18114	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2K-H"	76.91904
"154891"	498.225258	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"2M+2K"	77.926316
"592385"	727.856308	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"3M+2K"	77.926316
"1076898"	268.594208	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2K"	77.926316
"1113391"	538.195692	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2K+H"	78.933592
"1345404"	538.283307	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+DMSO+H"	79.021207
"1017580"	542.322476	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2ACN+H"	83.060376
"1535340"	543.316108	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+IsoProp+Na+H"	84.054008
"1000690"	271.664876	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+2ACN+2H"	84.067652
"1591915"	544.230728	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+K+HCOOH"	84.968628
"1419762"	574.262238	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+H+CF3COOH"	115.000138
"1154424"	292.178151	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+3ACN+2H"	125.094202
"1701790"	591.288785	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+NH4+CF3COOH"	132.026685
"1639629"	596.24418	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+Na+CF3COOH"	136.98208
"1571634"	612.21812	"C12333"	"Militarinone A"	"C26H37NO6"	"459.2621"	"M+K+CF3COOH"	152.95602
"811114"	439.2359	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M"	0
"978085"	420.21751	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-H2O-H"	-19.01839
"65238"	291.816657333333	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M-3H"	-3.021828
"503704"	438.228624	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M-3H"	-3.021828
"883693"	145.404690666667	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-3H"	-3.021828
"4454"	438.228624	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M-2H"	-2.014552
"446203"	657.846574	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M-2H"	-2.014552
"822913"	218.610674	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-2H"	-2.014552
"87279"	877.464524	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M-H"	-1.007276
"530850"	1316.700424	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M-H"	-1.007276
"902455"	438.228624	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-H"	-1.007276
"50269"	894.491071	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M-2H+NH4"	16.019271
"487639"	1333.726971	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M-2H+NH4"	16.019271
"873103"	455.255171	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-2H+NH4"	16.019271
"44653"	899.446466	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M-2H+Na"	20.974666
"480565"	1338.682366	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M-2H+Na"	20.974666
"852903"	460.210566	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-2H+Na"	20.974666
"1624622"	460.210566	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Na-2H"	20.974666
"103339"	456.216963	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M-H+Cl"	33.962126
"540712"	675.834913	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M-H+Cl"	33.962126
"934226"	236.599013	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-H+Cl"	33.962126
"280440"	913.441202	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+Cl"	34.969402
"662289"	1352.677102	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+Cl"	34.969402
"1279796"	474.205302	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Cl"	34.969402
"21260"	915.420406	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M-2H+K"	36.948606
"459726"	1354.656306	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M-2H+K"	36.948606
"839721"	476.184506	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-2H+K"	36.948606
"1558833"	476.184506	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+K-2H"	36.948606
"946720"	484.234094	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-H+HCOOH"	44.998194
"366027"	923.470001	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+HCOOH-H"	44.998201
"353190"	937.485651	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+Hac-H"	59.013851
"1498744"	498.249751	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Hac-H"	59.013851
"959357"	506.216051	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-H+NaCOOH"	66.980151
"110573"	474.205302	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+2Cl"	69.938804
"550057"	693.823252	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+2Cl"	69.938804
"1021845"	254.587352	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2Cl"	69.938804
"1241789"	518.154785	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Br"	78.918885
"1305086"	520.210772	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Cl+HCOOH"	80.974872
"1323082"	542.192729	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Cl+NaCOOH"	102.956829
"914141"	552.221486	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M-H+CF3COOH"	112.985586
"1293402"	588.198164	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Cl+CF3COOH"	148.962264
"1368644"	404.223224	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H-2H2O"	-35.012676
"1383589"	422.2332	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H-H2O"	-17.0027
"284734"	879.479076	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+H"	1.007276
"676790"	1318.714976	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+H"	1.007276
"1351719"	440.243176	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H"	1.007276
"127849"	440.243176	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+2H"	2.014552
"565865"	659.861126	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+2H"	2.014552
"1037621"	220.625226	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2H"	2.014552
"204466"	293.831209333333	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+3H"	3.021828
"644470"	440.243176	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+3H"	3.021828
"1163495"	147.419242666667	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+3H"	3.021828
"424692"	896.505623	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+NH4"	18.033823
"792628"	1335.741523	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+NH4"	18.033823
"1683489"	457.269723	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+NH4"	18.033823
"343077"	448.7564495	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+H+NH4"	19.041099
"737447"	668.3743995	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+H+NH4"	19.041099
"1491872"	229.1384995	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H+NH4"	19.041099
"403260"	901.461018	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+Na"	22.989218
"766080"	1340.696918	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+Na"	22.989218
"1613450"	462.225118	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Na"	22.989218
"326767"	451.234147	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+H+Na"	23.996494
"715906"	670.852097	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+H+Na"	23.996494
"1467539"	231.616197	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H+Na"	23.996494
"1065531"	154.746556666667	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2H+Na"	25.00377
"1267940"	472.269386	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+CH3OH+H"	33.033486
"385421"	917.434958	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+K"	38.963158
"746416"	1356.670858	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+K"	38.963158
"1547376"	478.199058	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+K"	38.963158
"310018"	459.221117	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+H+K"	39.970434
"702439"	678.839067	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+H+K"	39.970434
"1455165"	239.603167	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H+K"	39.970434
"245954"	920.505626	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+ACN+H"	42.033826
"1220851"	481.269726	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+ACN+H"	42.033826
"1205831"	241.138501	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+ACN+2H"	43.041102
"191046"	923.44296	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+2Na-H"	44.97116
"630970"	1362.67886	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+2Na-H"	44.97116
"1137756"	484.20706	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2Na-H"	44.97116
"175579"	462.225118	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+2Na"	45.978436
"620606"	681.843068	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+2Na"	45.978436
"1119738"	242.607168	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2Na"	45.978436
"1403993"	162.073870666667	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H+2Na"	46.985712
"1439388"	486.248646	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H+HCOOH"	47.012746
"220941"	467.25814	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+3H2O+2H"	56.04448
"1508836"	500.30069	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+IsoProp+H"	61.06479
"412458"	470.212088	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+Na+K"	61.952376
"770163"	689.830038	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+Na+K"	61.952376
"1665923"	250.594138	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Na+K"	61.952376
"251876"	942.487568	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+ACN+Na"	64.015768
"1234488"	503.251668	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+ACN+Na"	64.015768
"1719001"	503.275193	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+NH4+HCOOH"	64.039293
"1180343"	169.401184666667	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+3Na"	68.967654
"1651331"	508.230588	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Na+HCOOH"	68.994688
"162203"	955.39084	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+2K-H"	76.91904
"606138"	1394.62674	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+2K-H"	76.91904
"1091015"	516.15494	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2K-H"	76.91904
"155123"	478.199058	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"2M+2K"	77.926316
"592495"	697.817008	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"3M+2K"	77.926316
"1079197"	258.581108	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2K"	77.926316
"1110587"	518.169492	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2K+H"	78.933592
"1347700"	518.257107	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+DMSO+H"	79.021207
"1015137"	522.296276	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2ACN+H"	83.060376
"1535450"	523.289908	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+IsoProp+Na+H"	84.054008
"998615"	261.651776	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+2ACN+2H"	84.067652
"1593118"	524.204528	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+K+HCOOH"	84.968628
"1415497"	554.236038	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+H+CF3COOH"	115.000138
"1148701"	282.165051	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+3ACN+2H"	125.094202
"1705179"	571.262585	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+NH4+CF3COOH"	132.026685
"1640831"	576.21798	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+Na+CF3COOH"	136.98208
"1571419"	592.19192	"C12334"	"Militarinone B"	"C26H33NO5"	"439.2359"	"M+K+CF3COOH"	152.95602
"811224"	423.241	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M"	0
"978195"	404.22261	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-H2O-H"	-19.01839
"65348"	281.153390666667	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M-3H"	-3.021828
"504907"	422.233724	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M-3H"	-3.021828
"882710"	140.073057333333	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-3H"	-3.021828
"6752"	422.233724	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M-2H"	-2.014552
"447406"	633.854224	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M-2H"	-2.014552
"823023"	210.613224	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-2H"	-2.014552
"86297"	845.474724	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M-H"	-1.007276
"529138"	1268.715724	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M-H"	-1.007276
"899649"	422.233724	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-H"	-1.007276
"50014"	862.501271	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M-2H+NH4"	16.019271
"488116"	1285.742271	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M-2H+NH4"	16.019271
"874306"	439.260271	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-2H+NH4"	16.019271
"45615"	867.456666	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M-2H+Na"	20.974666
"479582"	1290.697666	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M-2H+Na"	20.974666
"851555"	444.215666	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-2H+Na"	20.974666
"1624732"	444.215666	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Na-2H"	20.974666
"98345"	440.222063	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M-H+Cl"	33.962126
"540821"	651.842563	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M-H+Cl"	33.962126
"931056"	228.601563	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-H+Cl"	33.962126
"277269"	881.451402	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+Cl"	34.969402
"665318"	1304.692402	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+Cl"	34.969402
"1283186"	458.210402	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Cl"	34.969402
"26838"	883.430606	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M-2H+K"	36.948606
"465303"	1306.671606	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M-2H+K"	36.948606
"837645"	460.189606	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-2H+K"	36.948606
"1560039"	460.189606	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+K-2H"	36.948606
"945737"	468.239194	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-H+HCOOH"	44.998194
"365044"	891.480201	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+HCOOH-H"	44.998201
"351114"	905.495851	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+Hac-H"	59.013851
"1498854"	482.254851	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Hac-H"	59.013851
"959105"	490.221151	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-H+NaCOOH"	66.980151
"110686"	458.210402	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+2Cl"	69.938804
"550239"	669.830902	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+2Cl"	69.938804
"1022319"	246.589902	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2Cl"	69.938804
"1241369"	502.159885	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Br"	78.918885
"1304590"	504.215872	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Cl+HCOOH"	80.974872
"1324286"	526.197829	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Cl+NaCOOH"	102.956829
"914251"	536.226586	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M-H+CF3COOH"	112.985586
"1293148"	572.203264	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Cl+CF3COOH"	148.962264
"1368389"	388.228324	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H-2H2O"	-35.012676
"1382819"	406.2383	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H-H2O"	-17.0027
"284115"	847.489276	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+H"	1.007276
"676005"	1270.730276	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+H"	1.007276
"1351404"	424.248276	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H"	1.007276
"127108"	424.248276	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+2H"	2.014552
"566424"	635.868776	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+2H"	2.014552
"1037323"	212.627776	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2H"	2.014552
"205918"	283.167942666667	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+3H"	3.021828
"644287"	424.248276	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+3H"	3.021828
"1165186"	142.087609333333	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+3H"	3.021828
"425173"	864.515823	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+NH4"	18.033823
"790551"	1287.756823	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+NH4"	18.033823
"1683599"	441.274823	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+NH4"	18.033823
"342457"	432.7615495	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+H+NH4"	19.041099
"737069"	644.3820495	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+H+NH4"	19.041099
"1490522"	221.1410495	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H+NH4"	19.041099
"404098"	869.471218	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+Na"	22.989218
"765456"	1292.712218	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+Na"	22.989218
"1610275"	446.230218	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Na"	22.989218
"322499"	435.239247	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+H+Na"	23.996494
"713828"	646.859747	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+H+Na"	23.996494
"1465458"	223.618747	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H+Na"	23.996494
"1064180"	149.414923333333	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2H+Na"	25.00377
"1265862"	456.274486	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+CH3OH+H"	33.033486
"382250"	885.445158	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+K"	38.963158
"746524"	1308.686158	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+K"	38.963158
"1544206"	462.204158	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+K"	38.963158
"312315"	443.226217	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+H+K"	39.970434
"702549"	654.846717	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+H+K"	39.970434
"1449808"	231.605717	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H+K"	39.970434
"246064"	888.515826	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+ACN+H"	42.033826
"1220961"	465.274826	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+ACN+H"	42.033826
"1203751"	233.141051	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+ACN+2H"	43.041102
"197718"	891.45316	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+2Na-H"	44.97116
"631080"	1314.69416	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+2Na-H"	44.97116
"1138232"	468.21216	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2Na-H"	44.97116
"174595"	446.230218	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+2Na"	45.978436
"621080"	657.850718	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+2Na"	45.978436
"1122400"	234.609718	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2Na"	45.978436
"1403737"	156.742237333333	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H+2Na"	46.985712
"1435125"	470.253746	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H+HCOOH"	47.012746
"220279"	451.26324	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+3H2O+2H"	56.04448
"1508719"	484.30579	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+IsoProp+H"	61.06479
"409528"	454.217188	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+Na+K"	61.952376
"771738"	665.837688	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+Na+K"	61.952376
"1665961"	242.596688	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Na+K"	61.952376
"253130"	910.497768	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+ACN+Na"	64.015768
"1234598"	487.256768	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+ACN+Na"	64.015768
"1719475"	487.280293	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+NH4+HCOOH"	64.039293
"1180209"	164.069551333333	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+3Na"	68.967654
"1650224"	492.235688	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Na+HCOOH"	68.994688
"162313"	923.40104	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+2K-H"	76.91904
"603332"	1346.64204	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+2K-H"	76.91904
"1088209"	500.16004	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2K-H"	76.91904
"150859"	462.204158	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"2M+2K"	77.926316
"583857"	673.824658	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"3M+2K"	77.926316
"1074933"	250.583658	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2K"	77.926316
"1108875"	502.174592	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2K+H"	78.933592
"1345621"	502.262207	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+DMSO+H"	79.021207
"1011966"	506.301376	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2ACN+H"	83.060376
"1534465"	507.295008	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+IsoProp+Na+H"	84.054008
"998723"	253.654326	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+2ACN+2H"	84.067652
"1589948"	508.209628	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+K+HCOOH"	84.968628
"1415970"	538.241138	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+H+CF3COOH"	115.000138
"1148081"	274.167601	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+3ACN+2H"	125.094202
"1702008"	555.267685	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+NH4+CF3COOH"	132.026685
"1637661"	560.22308	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+Na+CF3COOH"	136.98208
"1571327"	576.19702	"C12335"	"Militarinone C"	"C26H33NO4"	"423.241"	"M+K+CF3COOH"	152.95602
"811334"	377.1991	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M"	0
"978305"	358.18071	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-H2O-H"	-19.01839
"67645"	250.458790666667	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M-3H"	-3.021828
"506110"	376.191824	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M-3H"	-3.021828
"882819"	124.725757333333	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-3H"	-3.021828
"7955"	376.191824	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M-2H"	-2.014552
"448609"	564.791374	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M-2H"	-2.014552
"822040"	187.592274	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-2H"	-2.014552
"85314"	753.390924	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M-H"	-1.007276
"529248"	1130.590024	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M-H"	-1.007276
"901581"	376.191824	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-H"	-1.007276
"49760"	770.417471	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M-2H+NH4"	16.019271
"488101"	1147.616571	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M-2H+NH4"	16.019271
"873323"	393.218371	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-2H+NH4"	16.019271
"45601"	775.372866	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M-2H+Na"	20.974666
"478599"	1152.571966	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M-2H+Na"	20.974666
"853123"	398.173766	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-2H+Na"	20.974666
"1628122"	398.173766	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Na-2H"	20.974666
"98455"	394.180163	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M-H+Cl"	33.962126
"540931"	582.779713	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M-H+Cl"	33.962126
"930073"	205.580613	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-H+Cl"	33.962126
"278472"	789.367602	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+Cl"	34.969402
"668708"	1166.566702	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+Cl"	34.969402
"1278923"	412.168502	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Cl"	34.969402
"28041"	791.346806	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M-2H+K"	36.948606
"464320"	1168.545906	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M-2H+K"	36.948606
"839942"	414.147706	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-2H+K"	36.948606
"1559056"	414.147706	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+K-2H"	36.948606
"949127"	422.197294	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-H+HCOOH"	44.998194
"364424"	799.396401	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+HCOOH-H"	44.998201
"349037"	813.412051	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+Hac-H"	59.013851
"1497870"	436.212951	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Hac-H"	59.013851
"959945"	444.179251	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-H+NaCOOH"	66.980151
"113228"	412.168502	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+2Cl"	69.938804
"552421"	600.768052	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+2Cl"	69.938804
"1021951"	223.568952	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2Cl"	69.938804
"1243353"	456.117985	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Br"	78.918885
"1304311"	458.173972	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Cl+HCOOH"	80.974872
"1324396"	480.155929	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Cl+NaCOOH"	102.956829
"912173"	490.184686	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M-H+CF3COOH"	112.985586
"1289247"	526.161364	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Cl+CF3COOH"	148.962264
"1367407"	342.186424	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H-2H2O"	-35.012676
"1383446"	360.1964	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H-H2O"	-17.0027
"286414"	755.405476	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+H"	1.007276
"675997"	1132.604576	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+H"	1.007276
"1351656"	378.206376	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H"	1.007276
"129163"	378.206376	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+2H"	2.014552
"567629"	566.805926	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+2H"	2.014552
"1037760"	189.606826	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2H"	2.014552
"205423"	252.473342666667	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+3H"	3.021828
"644286"	378.206376	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+3H"	3.021828
"1164324"	126.740309333333	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+3H"	3.021828
"425530"	772.432023	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+NH4"	18.033823
"790661"	1149.631123	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+NH4"	18.033823
"1682616"	395.232923	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+NH4"	18.033823
"341836"	386.7196495	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+H+NH4"	19.041099
"736447"	575.3191995	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+H+NH4"	19.041099
"1488079"	198.1200995	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H+NH4"	19.041099
"403479"	777.387418	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+Na"	22.989218
"764473"	1154.586518	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+Na"	22.989218
"1610384"	400.188318	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Na"	22.989218
"323702"	389.197347	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+H+Na"	23.996494
"712116"	577.796897	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+H+Na"	23.996494
"1465203"	200.597797	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H+Na"	23.996494
"1065383"	134.067623333333	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2H+Na"	25.00377
"1267066"	410.232586	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+CH3OH+H"	33.033486
"383453"	793.361358	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+K"	38.963158
"744448"	1170.560458	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+K"	38.963158
"1542492"	416.162258	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+K"	38.963158
"303677"	397.184317	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+H+K"	39.970434
"697191"	585.783867	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+H+K"	39.970434
"1448823"	208.584767	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H+K"	39.970434
"242893"	796.432026	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+ACN+H"	42.033826
"1217791"	419.232926	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+ACN+H"	42.033826
"1201675"	210.120101	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+ACN+2H"	43.041102
"196735"	799.36936	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+2Na-H"	44.97116
"633013"	1176.56846	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+2Na-H"	44.97116
"1134330"	422.17026	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2Na-H"	44.97116
"175798"	400.188318	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+2Na"	45.978436
"616451"	588.787868	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+2Na"	45.978436
"1118499"	211.588768	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2Na"	45.978436
"1403847"	141.394937333333	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H+2Na"	46.985712
"1433047"	424.211846	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H+HCOOH"	47.012746
"220228"	405.22134	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+3H2O+2H"	56.04448
"1508731"	438.26389	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+IsoProp+H"	61.06479
"408898"	408.175288	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+Na+K"	61.952376
"770148"	596.774838	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+Na+K"	61.952376
"1665817"	219.575738	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Na+K"	61.952376
"251778"	818.413968	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+ACN+Na"	64.015768
"1232521"	441.214868	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+ACN+Na"	64.015768
"1719585"	441.238393	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+NH4+HCOOH"	64.039293
"1180562"	148.722251333333	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+3Na"	68.967654
"1653372"	446.193788	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Na+HCOOH"	68.994688
"162423"	831.31724	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+2K-H"	76.91904
"603442"	1208.51634	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+2K-H"	76.91904
"1088319"	454.11814	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2K-H"	76.91904
"150969"	416.162258	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"2M+2K"	77.926316
"583967"	604.761808	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"3M+2K"	77.926316
"1072855"	227.562708	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2K"	77.926316
"1110440"	456.132692	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2K+H"	78.933592
"1341356"	456.220307	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+DMSO+H"	79.021207
"1012075"	460.259476	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2ACN+H"	83.060376
"1531294"	461.253108	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+IsoProp+Na+H"	84.054008
"995553"	230.633376	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+2ACN+2H"	84.067652
"1590058"	462.167728	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+K+HCOOH"	84.968628
"1416809"	492.199238	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+H+CF3COOH"	115.000138
"1147582"	251.146651	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+3ACN+2H"	125.094202
"1699202"	509.225785	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+NH4+CF3COOH"	132.026685
"1635583"	514.18118	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+Na+CF3COOH"	136.98208
"1571396"	530.15512	"C12336"	"Dioncophylline A"	"C24H27NO3"	"377.1991"	"M+K+CF3COOH"	152.95602
"811444"	363.1834	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M"	0
"981695"	344.16501	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-H2O-H"	-19.01839
"69942"	241.114990666667	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M-3H"	-3.021828
"505128"	362.176124	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M-3H"	-3.021828
"886210"	120.053857333333	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-3H"	-3.021828
"9160"	362.176124	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M-2H"	-2.014552
"444346"	543.767824	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M-2H"	-2.014552
"819234"	180.584424	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-2H"	-2.014552
"84331"	725.359524	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M-H"	-1.007276
"528265"	1088.542924	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M-H"	-1.007276
"903879"	362.176124	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-H"	-1.007276
"50600"	742.386071	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M-2H+NH4"	16.019271
"488577"	1105.569471	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M-2H+NH4"	16.019271
"871246"	379.202671	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-2H+NH4"	16.019271
"45711"	747.341466	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M-2H+Na"	20.974666
"479803"	1110.524866	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M-2H+Na"	20.974666
"851046"	384.158066	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-2H+Na"	20.974666
"1627139"	384.158066	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Na-2H"	20.974666
"98565"	380.164463	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M-H+Cl"	33.962126
"537761"	561.756163	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M-H+Cl"	33.962126
"928723"	198.572763	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-H+Cl"	33.962126
"278582"	761.336202	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+Cl"	34.969402
"672098"	1124.519602	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+Cl"	34.969402
"1279033"	398.152802	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Cl"	34.969402
"25964"	763.315406	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M-2H+K"	36.948606
"468803"	1126.498806	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M-2H+K"	36.948606
"838958"	400.132006	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-2H+K"	36.948606
"1558072"	400.132006	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+K-2H"	36.948606
"945957"	408.181594	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-H+HCOOH"	44.998194
"363077"	771.365001	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+HCOOH-H"	44.998201
"348054"	785.380651	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+Hac-H"	59.013851
"1499074"	422.197251	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Hac-H"	59.013851
"961148"	430.163551	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-H+NaCOOH"	66.980151
"111392"	398.152802	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+2Cl"	69.938804
"560551"	579.744502	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+2Cl"	69.938804
"1028257"	216.561102	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2Cl"	69.938804
"1244556"	442.102285	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Br"	78.918885
"1307004"	444.158272	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Cl+HCOOH"	80.974872
"1323413"	466.140229	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Cl+NaCOOH"	102.956829
"913013"	476.168986	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M-H+CF3COOH"	112.985586
"1288519"	512.145664	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Cl+CF3COOH"	148.962264
"1367274"	328.170724	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H-2H2O"	-35.012676
"1383070"	346.1807	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H-H2O"	-17.0027
"286524"	727.374076	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+H"	1.007276
"675768"	1090.557476	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+H"	1.007276
"1353103"	364.190676	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H"	1.007276
"127087"	364.190676	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+2H"	2.014552
"569926"	545.782376	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+2H"	2.014552
"1037632"	182.598976	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2H"	2.014552
"207720"	243.129542666667	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+3H"	3.021828
"645093"	364.190676	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+3H"	3.021828
"1170874"	122.068409333333	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+3H"	3.021828
"428679"	744.400623	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+NH4"	18.033823
"788585"	1107.584023	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+NH4"	18.033823
"1686007"	381.217223	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+NH4"	18.033823
"336478"	372.7039495	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+H+NH4"	19.041099
"733274"	554.2956495	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+H+NH4"	19.041099
"1488187"	191.1122495	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H+NH4"	19.041099
"399212"	749.356018	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+Na"	22.989218
"758019"	1112.539418	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+Na"	22.989218
"1606118"	386.172618	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Na"	22.989218
"318344"	375.181647	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+H+Na"	23.996494
"715139"	556.773347	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+H+Na"	23.996494
"1468959"	193.589947	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H+Na"	23.996494
"1067680"	129.395723333333	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2H+Na"	25.00377
"1269362"	396.216886	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+CH3OH+H"	33.033486
"383563"	765.329958	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+K"	38.963158
"744556"	1128.513358	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+K"	38.963158
"1549891"	402.146558	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+K"	38.963158
"309253"	383.168617	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+H+K"	39.970434
"698394"	564.760317	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+H+K"	39.970434
"1448933"	201.576917	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H+K"	39.970434
"245190"	768.400626	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+ACN+H"	42.033826
"1212067"	405.217226	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+ACN+H"	42.033826
"1202878"	203.112251	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+ACN+2H"	43.041102
"199761"	771.33796	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+2Na-H"	44.97116
"634218"	1134.52136	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+2Na-H"	44.97116
"1133712"	408.15456	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2Na-H"	44.97116
"175544"	386.172618	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+2Na"	45.978436
"616926"	567.764318	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+2Na"	45.978436
"1120797"	204.580918	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2Na"	45.978436
"1401404"	136.723037333333	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H+2Na"	46.985712
"1432428"	410.196146	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H+HCOOH"	47.012746
"220658"	391.20564	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+3H2O+2H"	56.04448
"1509330"	424.24819	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+IsoProp+H"	61.06479
"409379"	394.159588	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+Na+K"	61.952376
"771105"	575.751288	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+Na+K"	61.952376
"1666222"	212.567888	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Na+K"	61.952376
"253343"	790.382568	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+ACN+Na"	64.015768
"1232631"	427.199168	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+ACN+Na"	64.015768
"1719695"	427.222693	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+NH4+HCOOH"	64.039293
"1178971"	144.050351333333	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+3Na"	68.967654
"1651296"	432.178088	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Na+HCOOH"	68.994688
"162533"	803.28584	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+2K-H"	76.91904
"598084"	1166.46924	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+2K-H"	76.91904
"1088429"	440.10244	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2K-H"	76.91904
"148892"	402.146558	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"2M+2K"	77.926316
"583349"	583.738258	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"3M+2K"	77.926316
"1070778"	220.554858	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2K"	77.926316
"1108365"	442.116992	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2K+H"	78.933592
"1343654"	442.204607	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+DMSO+H"	79.021207
"1012186"	446.243776	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2ACN+H"	83.060376
"1532498"	447.237408	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+IsoProp+Na+H"	84.054008
"998944"	223.625526	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+2ACN+2H"	84.067652
"1593448"	448.152028	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+K+HCOOH"	84.968628
"1421295"	478.183538	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+H+CF3COOH"	115.000138
"1152677"	244.138801	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+3ACN+2H"	125.094202
"1702229"	495.210085	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+NH4+CF3COOH"	132.026685
"1640069"	500.16548	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+Na+CF3COOH"	136.98208
"1571710"	516.13942	"C12337"	"Dioncophylline C"	"C23H25NO3"	"363.1834"	"M+K+CF3COOH"	152.95602
"811554"	379.1784	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M"	0
"981805"	360.16001	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-H2O-H"	-19.01839
"67865"	251.778324	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M-3H"	-3.021828
"505238"	378.171124	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M-3H"	-3.021828
"883040"	125.385524	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-3H"	-3.021828
"9270"	378.171124	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M-2H"	-2.014552
"441297"	567.760324	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M-2H"	-2.014552
"819101"	188.581924	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-2H"	-2.014552
"84441"	757.349524	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M-H"	-1.007276
"526188"	1136.527924	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M-H"	-1.007276
"903989"	378.171124	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-H"	-1.007276
"51803"	774.376071	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M-2H+NH4"	16.019271
"488200"	1153.554471	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M-2H+NH4"	16.019271
"870263"	395.197671	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-2H+NH4"	16.019271
"35976"	779.331466	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M-2H+Na"	20.974666
"474444"	1158.509866	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M-2H+Na"	20.974666
"850426"	400.153066	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-2H+Na"	20.974666
"1627249"	400.153066	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Na-2H"	20.974666
"96124"	396.159463	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M-H+Cl"	33.962126
"537871"	585.748663	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M-H+Cl"	33.962126
"928104"	206.570263	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-H+Cl"	33.962126
"269944"	793.326202	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+Cl"	34.969402
"672208"	1172.504602	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+Cl"	34.969402
"1281329"	414.147802	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Cl"	34.969402
"26073"	795.305406	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M-2H+K"	36.948606
"464540"	1174.483806	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M-2H+K"	36.948606
"839068"	416.127006	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-2H+K"	36.948606
"1559276"	416.127006	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+K-2H"	36.948606
"947159"	424.176594	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-H+HCOOH"	44.998194
"363187"	803.355001	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+HCOOH-H"	44.998201
"350350"	817.370651	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+Hac-H"	59.013851
"1498089"	438.192251	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Hac-H"	59.013851
"961257"	446.158551	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-H+NaCOOH"	66.980151
"112353"	414.147802	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+2Cl"	69.938804
"560661"	603.737002	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+2Cl"	69.938804
"1028367"	224.558602	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2Cl"	69.938804
"1249039"	458.097285	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Br"	78.918885
"1309301"	460.153272	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Cl+HCOOH"	80.974872
"1323523"	482.135229	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Cl+NaCOOH"	102.956829
"915675"	492.163986	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M-H+CF3COOH"	112.985586
"1290561"	528.140664	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Cl+CF3COOH"	148.962264
"1367627"	344.165724	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H-2H2O"	-35.012676
"1384759"	362.1757	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H-H2O"	-17.0027
"284447"	759.364076	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+H"	1.007276
"676257"	1138.542476	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+H"	1.007276
"1354306"	380.185676	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H"	1.007276
"128290"	380.185676	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+2H"	2.014552
"567240"	569.774876	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+2H"	2.014552
"1038227"	190.596476	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2H"	2.014552
"205763"	253.792876	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+3H"	3.021828
"645324"	380.185676	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+3H"	3.021828
"1172077"	127.400076	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+3H"	3.021828
"428788"	776.390623	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+NH4"	18.033823
"789787"	1155.569023	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+NH4"	18.033823
"1688303"	397.212223	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+NH4"	18.033823
"336588"	388.6989495	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+H+NH4"	19.041099
"733384"	578.2881495	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+H+NH4"	19.041099
"1488297"	199.1097495	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H+NH4"	19.041099
"401509"	781.346018	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+Na"	22.989218
"758492"	1160.524418	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+Na"	22.989218
"1606590"	402.167618	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Na"	22.989218
"318450"	391.176647	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+H+Na"	23.996494
"710871"	580.765847	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+H+Na"	23.996494
"1463960"	201.587447	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H+Na"	23.996494
"1067062"	134.72739	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2H+Na"	25.00377
"1265093"	412.211886	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+CH3OH+H"	33.033486
"389140"	797.319958	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+K"	38.963158
"745759"	1176.498358	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+K"	38.963158
"1544534"	418.141558	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+K"	38.963158
"306083"	399.163617	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+H+K"	39.970434
"699597"	588.752817	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+H+K"	39.970434
"1449043"	209.574417	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H+K"	39.970434
"243113"	800.390626	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+ACN+H"	42.033826
"1211690"	421.212226	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+ACN+H"	42.033826
"1201894"	211.109751	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+ACN+2H"	43.041102
"196952"	803.32796	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+2Na-H"	44.97116
"636515"	1182.50636	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+2Na-H"	44.97116
"1133944"	424.14956	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2Na-H"	44.97116
"174922"	402.167618	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+2Na"	45.978436
"615943"	591.756818	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+2Na"	45.978436
"1118722"	212.578418	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2Na"	45.978436
"1401152"	142.054704	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H+2Na"	46.985712
"1432174"	426.191146	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H+HCOOH"	47.012746
"220892"	407.20064	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+3H2O+2H"	56.04448
"1509196"	440.24319	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+IsoProp+H"	61.06479
"409489"	410.154588	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+Na+K"	61.952376
"770367"	599.743788	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+Na+K"	61.952376
"1666212"	220.565388	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Na+K"	61.952376
"252848"	822.372568	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+ACN+Na"	64.015768
"1232012"	443.194168	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+ACN+Na"	64.015768
"1716158"	443.217693	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+NH4+HCOOH"	64.039293
"1180418"	149.382018	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+3Na"	68.967654
"1651282"	448.173088	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Na+HCOOH"	68.994688
"159727"	835.27584	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+2K-H"	76.91904
"598436"	1214.45424	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+2K-H"	76.91904
"1084889"	456.09744	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2K-H"	76.91904
"149001"	418.141558	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"2M+2K"	77.926316
"583216"	607.730758	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"3M+2K"	77.926316
"1070888"	228.552358	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2K"	77.926316
"1109567"	458.111992	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2K+H"	78.933592
"1341577"	458.199607	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+DMSO+H"	79.021207
"1010109"	462.238776	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2ACN+H"	83.060376
"1533699"	463.232408	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+IsoProp+Na+H"	84.054008
"997960"	231.623026	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+2ACN+2H"	84.067652
"1593558"	464.147028	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+K+HCOOH"	84.968628
"1420312"	494.178538	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+H+CF3COOH"	115.000138
"1149507"	252.136301	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+3ACN+2H"	125.094202
"1705619"	511.205085	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+NH4+CF3COOH"	132.026685
"1640179"	516.16048	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+Na+CF3COOH"	136.98208
"1571577"	532.13442	"C12338"	"Korupensamine A"	"C23H25NO4"	"379.1784"	"M+K+CF3COOH"	152.95602
"812758"	379.1784	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M"	0
"981915"	360.16001	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-H2O-H"	-19.01839
"67975"	251.778324	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M-3H"	-3.021828
"505349"	378.171124	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M-3H"	-3.021828
"886431"	125.385524	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-3H"	-3.021828
"8287"	378.171124	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M-2H"	-2.014552
"441286"	567.760324	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M-2H"	-2.014552
"825652"	188.581924	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-2H"	-2.014552
"90018"	757.349524	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M-H"	-1.007276
"528485"	1136.527924	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M-H"	-1.007276
"906287"	378.171124	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-H"	-1.007276
"51914"	774.376071	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M-2H+NH4"	16.019271
"488922"	1153.554471	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M-2H+NH4"	16.019271
"869275"	395.197671	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-2H+NH4"	16.019271
"36087"	779.331466	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M-2H+Na"	20.974666
"476739"	1158.509866	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M-2H+Na"	20.974666
"858919"	400.153066	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-2H+Na"	20.974666
"1624079"	400.153066	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Na-2H"	20.974666
"96598"	396.159463	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M-H+Cl"	33.962126
"537981"	585.748663	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M-H+Cl"	33.962126
"928215"	206.570263	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-H+Cl"	33.962126
"271147"	793.326202	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+Cl"	34.969402
"662475"	1172.504602	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+Cl"	34.969402
"1274878"	414.147802	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Cl"	34.969402
"17552"	795.305406	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M-2H+K"	36.948606
"458085"	1174.483806	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M-2H+K"	36.948606
"837347"	416.127006	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-2H+K"	36.948606
"1563759"	416.127006	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+K-2H"	36.948606
"947269"	424.176594	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-H+HCOOH"	44.998194
"364390"	803.355001	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+HCOOH-H"	44.998201
"351553"	817.370651	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+Hac-H"	59.013851
"1498199"	438.192251	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Hac-H"	59.013851
"966835"	446.158551	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-H+NaCOOH"	66.980151
"116837"	414.147802	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+2Cl"	69.938804
"561864"	603.737002	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+2Cl"	69.938804
"1028477"	224.558602	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2Cl"	69.938804
"1249149"	458.097285	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Br"	78.918885
"1312691"	460.153272	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Cl+HCOOH"	80.974872
"1326913"	482.135229	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Cl+NaCOOH"	102.956829
"913233"	492.163986	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M-H+CF3COOH"	112.985586
"1292128"	528.140664	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Cl+CF3COOH"	148.962264
"1367492"	344.165724	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H-2H2O"	-35.012676
"1385963"	362.1757	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H-H2O"	-17.0027
"287838"	759.364076	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+H"	1.007276
"676731"	1138.542476	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+H"	1.007276
"1352960"	380.185676	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H"	1.007276
"129129"	380.185676	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+2H"	2.014552
"569052"	569.774876	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+2H"	2.014552
"1038580"	190.596476	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2H"	2.014552
"205752"	253.792876	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+3H"	3.021828
"646406"	380.185676	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+3H"	3.021828
"1173281"	127.400076	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+3H"	3.021828
"429992"	776.390623	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+NH4"	18.033823
"788075"	1155.569023	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+NH4"	18.033823
"1682946"	397.212223	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+NH4"	18.033823
"341073"	388.6989495	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+H+NH4"	19.041099
"733494"	578.2881495	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+H+NH4"	19.041099
"1487315"	199.1097495	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H+NH4"	19.041099
"402712"	781.346018	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+Na"	22.989218
"758603"	1160.524418	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+Na"	22.989218
"1606699"	402.167618	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Na"	22.989218
"318195"	391.176647	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+H+Na"	23.996494
"711343"	580.765847	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+H+Na"	23.996494
"1462976"	201.587447	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H+Na"	23.996494
"1067900"	134.72739	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2H+Na"	25.00377
"1264110"	412.211886	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+CH3OH+H"	33.033486
"385969"	797.319958	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+K"	38.963158
"746963"	1176.498358	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+K"	38.963158
"1549016"	418.141558	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+K"	38.963158
"308379"	399.163617	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+H+K"	39.970434
"700800"	588.752817	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+H+K"	39.970434
"1449153"	209.574417	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H+K"	39.970434
"240307"	800.390626	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+ACN+H"	42.033826
"1211923"	421.212226	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+ACN+H"	42.033826
"1199088"	211.109751	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+ACN+2H"	43.041102
"195969"	803.32796	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+2Na-H"	44.97116
"635531"	1182.50636	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+2Na-H"	44.97116
"1139037"	424.14956	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2Na-H"	44.97116
"177953"	402.167618	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+2Na"	45.978436
"618606"	591.756818	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+2Na"	45.978436
"1118465"	212.578418	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2Na"	45.978436
"1400529"	142.054704	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H+2Na"	46.985712
"1433378"	426.191146	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H+HCOOH"	47.012746
"221614"	407.20064	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+3H2O+2H"	56.04448
"1510405"	440.24319	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+IsoProp+H"	61.06479
"410091"	410.154588	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+Na+K"	61.952376
"771813"	599.743788	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+Na+K"	61.952376
"1666444"	220.565388	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Na+K"	61.952376
"251870"	822.372568	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+ACN+Na"	64.015768
"1232122"	443.194168	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+ACN+Na"	64.015768
"1719551"	443.217693	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+NH4+HCOOH"	64.039293
"1182717"	149.382018	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+3Na"	68.967654
"1651879"	448.173088	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Na+HCOOH"	68.994688
"166034"	835.27584	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+2K-H"	76.91904
"606688"	1214.45424	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+2K-H"	76.91904
"1088285"	456.09744	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2K-H"	76.91904
"149113"	418.141558	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"2M+2K"	77.926316
"591953"	607.730758	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"3M+2K"	77.926316
"1078654"	228.552358	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2K"	77.926316
"1107492"	458.111992	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2K+H"	78.933592
"1341688"	458.199607	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+DMSO+H"	79.021207
"1013500"	462.238776	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2ACN+H"	83.060376
"1532718"	463.232408	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+IsoProp+Na+H"	84.054008
"999165"	231.623026	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+2ACN+2H"	84.067652
"1594761"	464.147028	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+K+HCOOH"	84.968628
"1424796"	494.178538	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+H+CF3COOH"	115.000138
"1150710"	252.136301	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+3ACN+2H"	125.094202
"1705729"	511.205085	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+NH4+CF3COOH"	132.026685
"1640289"	516.16048	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+Na+CF3COOH"	136.98208
"1571566"	532.13442	"C12339"	"Dioncopeltine A;Triphyopeltine"	"C23H25NO4"	"379.1784"	"M+K+CF3COOH"	152.95602
"811774"	421.2253	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M"	0
"978745"	402.20691	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-H2O-H"	-19.01839
"68085"	279.809590666667	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M-3H"	-3.021828
"507646"	420.218024	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M-3H"	-3.021828
"886540"	139.401157333333	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-3H"	-3.021828
"8397"	420.218024	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M-2H"	-2.014552
"445772"	630.830674	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M-2H"	-2.014552
"825766"	209.605374	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-2H"	-2.014552
"89035"	841.443324	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M-H"	-1.007276
"527504"	1262.668624	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M-H"	-1.007276
"903120"	420.218024	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-H"	-1.007276
"53118"	858.469871	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M-2H+NH4"	16.019271
"493774"	1279.695171	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M-2H+NH4"	16.019271
"868293"	437.244571	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-2H+NH4"	16.019271
"39478"	863.425266	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M-2H+Na"	20.974666
"476850"	1284.650566	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M-2H+Na"	20.974666
"859029"	442.199966	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-2H+Na"	20.974666
"1625283"	442.199966	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Na-2H"	20.974666
"100718"	438.206363	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M-H+Cl"	33.962126
"538091"	648.819013	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M-H+Cl"	33.962126
"930513"	227.593713	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-H+Cl"	33.962126
"271257"	877.420002	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+Cl"	34.969402
"665867"	1298.645302	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+Cl"	34.969402
"1275352"	456.194702	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Cl"	34.969402
"18999"	879.399206	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M-2H+K"	36.948606
"457831"	1300.624506	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M-2H+K"	36.948606
"837457"	458.173906	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-2H+K"	36.948606
"1558396"	458.173906	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+K-2H"	36.948606
"945188"	466.223494	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-H+HCOOH"	44.998194
"363407"	887.448801	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+HCOOH-H"	44.998201
"348383"	901.464451	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+Hac-H"	59.013851
"1497216"	480.239151	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Hac-H"	59.013851
"968039"	488.205451	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-H+NaCOOH"	66.980151
"119134"	456.194702	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+2Cl"	69.938804
"558694"	666.807352	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+2Cl"	69.938804
"1026401"	245.582052	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2Cl"	69.938804
"1241967"	500.144185	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Br"	78.918885
"1312801"	502.200172	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Cl+HCOOH"	80.974872
"1325925"	524.182129	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Cl+NaCOOH"	102.956829
"913701"	534.210886	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M-H+CF3COOH"	112.985586
"1289440"	570.187564	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Cl+CF3COOH"	148.962264
"1369669"	386.212624	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H-2H2O"	-35.012676
"1383155"	404.2226	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H-H2O"	-17.0027
"287948"	843.457876	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+H"	1.007276
"675684"	1264.683176	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+H"	1.007276
"1351377"	422.232576	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H"	1.007276
"129603"	422.232576	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+2H"	2.014552
"567339"	632.845226	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+2H"	2.014552
"1037962"	211.619926	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2H"	2.014552
"204769"	281.824142666667	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+3H"	3.021828
"647610"	422.232576	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+3H"	3.021828
"1171205"	141.415709333333	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+3H"	3.021828
"430102"	860.484423	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+NH4"	18.033823
"787820"	1281.709723	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+NH4"	18.033823
"1686336"	439.259123	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+NH4"	18.033823
"333526"	430.7458495	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+H+NH4"	19.041099
"730323"	641.3584995	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+H+NH4"	19.041099
"1479769"	220.1331995	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H+NH4"	19.041099
"396261"	865.439818	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+Na"	22.989218
"757256"	1286.665118	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+Na"	22.989218
"1605353"	444.214518	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Na"	22.989218
"316483"	433.223547	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+H+Na"	23.996494
"709996"	643.836197	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+H+Na"	23.996494
"1463086"	222.610897	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H+Na"	23.996494
"1055978"	148.743023333333	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2H+Na"	25.00377
"1263127"	454.258786	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+CH3OH+H"	33.033486
"383892"	881.413758	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+K"	38.963158
"743793"	1302.639058	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+K"	38.963158
"1541836"	460.188458	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+K"	38.963158
"307396"	441.210517	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+H+K"	39.970434
"697630"	651.823167	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+H+K"	39.970434
"1447075"	230.597867	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H+K"	39.970434
"243333"	884.484426	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+ACN+H"	42.033826
"1214949"	463.259126	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+ACN+H"	42.033826
"1198834"	232.133201	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+ACN+2H"	43.041102
"197174"	887.42176	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+2Na-H"	44.97116
"638922"	1308.64706	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+2Na-H"	44.97116
"1138053"	466.19646	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2Na-H"	44.97116
"180251"	444.214518	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+2Na"	45.978436
"614706"	654.827168	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+2Na"	45.978436
"1122224"	233.601868	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2Na"	45.978436
"1400279"	156.070337333333	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H+2Na"	46.985712
"1431301"	468.238046	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H+HCOOH"	47.012746
"222820"	449.24754	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+3H2O+2H"	56.04448
"1509788"	482.29009	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+IsoProp+H"	61.06479
"410934"	452.201488	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+Na+K"	61.952376
"770267"	662.814138	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+Na+K"	61.952376
"1665827"	241.588838	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Na+K"	61.952376
"251857"	906.466368	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+ACN+Na"	64.015768
"1234056"	485.241068	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+ACN+Na"	64.015768
"1725129"	485.264593	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+NH4+HCOOH"	64.039293
"1182828"	163.397651333333	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+3Na"	68.967654
"1654909"	490.219988	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Na+HCOOH"	68.994688
"161773"	919.36964	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+2K-H"	76.91904
"600967"	1340.59494	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+2K-H"	76.91904
"1090218"	498.14434	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2K-H"	76.91904
"149223"	460.188458	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"2M+2K"	77.926316
"586597"	670.801108	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"3M+2K"	77.926316
"1074390"	249.575808	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2K"	77.926316
"1107601"	500.158892	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2K+H"	78.933592
"1342890"	500.246507	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+DMSO+H"	79.021207
"1010328"	504.285676	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2ACN+H"	83.060376
"1531732"	505.279308	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+IsoProp+Na+H"	84.054008
"998185"	252.646476	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+2ACN+2H"	84.067652
"1593777"	506.193928	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+K+HCOOH"	84.968628
"1420532"	536.225438	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+H+CF3COOH"	115.000138
"1158475"	273.159751	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+3ACN+2H"	125.094202
"1705839"	553.251985	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+NH4+CF3COOH"	132.026685
"1640399"	558.20738	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+Na+CF3COOH"	136.98208
"1571797"	574.18132	"C12340"	"Ancistrotectorine"	"C26H31NO4"	"421.2253"	"M+K+CF3COOH"	152.95602
"805323"	379.1784	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M"	0
"985416"	360.16001	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-H2O-H"	-19.01839
"70383"	251.778324	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M-3H"	-3.021828
"508849"	378.171124	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M-3H"	-3.021828
"887747"	125.385524	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-3H"	-3.021828
"7416"	378.171124	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M-2H"	-2.014552
"449163"	567.760324	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M-2H"	-2.014552
"830860"	188.581924	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-2H"	-2.014552
"93650"	757.349524	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M-H"	-1.007276
"530896"	1136.527924	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M-H"	-1.007276
"906512"	378.171124	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-H"	-1.007276
"53232"	774.376071	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M-2H+NH4"	16.019271
"493156"	1153.554471	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M-2H+NH4"	16.019271
"876062"	395.197671	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-2H+NH4"	16.019271
"43962"	779.331466	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M-2H+Na"	20.974666
"482429"	1158.509866	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M-2H+Na"	20.974666
"855859"	400.153066	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-2H+Na"	20.974666
"1627579"	400.153066	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Na-2H"	20.974666
"98276"	396.159463	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M-H+Cl"	33.962126
"538927"	585.748663	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M-H+Cl"	33.962126
"930983"	206.570263	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-H+Cl"	33.962126
"270998"	793.326202	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+Cl"	34.969402
"664880"	1172.504602	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+Cl"	34.969402
"1278015"	414.147802	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Cl"	34.969402
"19837"	795.305406	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M-2H+K"	36.948606
"456073"	1174.483806	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M-2H+K"	36.948606
"836472"	416.127006	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-2H+K"	36.948606
"1560694"	416.127006	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+K-2H"	36.948606
"945299"	424.176594	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-H+HCOOH"	44.998194
"375547"	803.355001	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+HCOOH-H"	44.998201
"356147"	817.370651	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+Hac-H"	59.013851
"1502793"	438.192251	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Hac-H"	59.013851
"971432"	446.158551	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-H+NaCOOH"	66.980151
"123984"	414.147802	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+2Cl"	69.938804
"562085"	603.737002	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+2Cl"	69.938804
"1031978"	224.558602	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2Cl"	69.938804
"1246089"	458.097285	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Br"	78.918885
"1312911"	460.153272	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Cl+HCOOH"	80.974872
"1328221"	482.135229	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Cl+NaCOOH"	102.956829
"915998"	492.163986	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M-H+CF3COOH"	112.985586
"1293805"	528.140664	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Cl+CF3COOH"	148.962264
"1369779"	344.165724	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H-2H2O"	-35.012676
"1389464"	362.1757	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H-H2O"	-17.0027
"290246"	759.364076	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+H"	1.007276
"680480"	1138.542476	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+H"	1.007276
"1353548"	380.185676	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H"	1.007276
"127164"	380.185676	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+2H"	2.014552
"567814"	569.774876	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+2H"	2.014552
"1039165"	190.596476	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2H"	2.014552
"208160"	253.792876	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+3H"	3.021828
"647716"	380.185676	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+3H"	3.021828
"1171315"	127.400076	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+3H"	3.021828
"430212"	776.390623	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+NH4"	18.033823
"789388"	1155.569023	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+NH4"	18.033823
"1686447"	397.212223	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+NH4"	18.033823
"340202"	388.6989495	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+H+NH4"	19.041099
"729343"	578.2881495	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+H+NH4"	19.041099
"1484256"	199.1097495	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H+NH4"	19.041099
"396007"	781.346018	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+Na"	22.989218
"758462"	1160.524418	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+Na"	22.989218
"1606922"	402.167618	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Na"	22.989218
"317688"	391.176647	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+H+Na"	23.996494
"711200"	580.765847	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+H+Na"	23.996494
"1464654"	201.587447	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H+Na"	23.996494
"1057182"	134.72739	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2H+Na"	25.00377
"1268704"	412.211886	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+CH3OH+H"	33.033486
"385098"	797.319958	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+K"	38.963158
"746092"	1176.498358	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+K"	38.963158
"1547051"	418.141558	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+K"	38.963158
"304591"	399.163617	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+H+K"	39.970434
"698835"	588.752817	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+H+K"	39.970434
"1451562"	209.574417	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H+K"	39.970434
"242351"	800.390626	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+ACN+H"	42.033826
"1213966"	421.212226	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+ACN+H"	42.033826
"1202225"	211.109751	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+ACN+2H"	43.041102
"198377"	803.32796	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+2Na-H"	44.97116
"639762"	1182.50636	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+2Na-H"	44.97116
"1138164"	424.14956	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2Na-H"	44.97116
"182548"	402.167618	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+2Na"	45.978436
"615548"	591.756818	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+2Na"	45.978436
"1117592"	212.578418	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2Na"	45.978436
"1401484"	142.054704	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H+2Na"	46.985712
"1432872"	426.191146	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H+HCOOH"	47.012746
"223660"	407.20064	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+3H2O+2H"	56.04448
"1511362"	440.24319	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+IsoProp+H"	61.06479
"410316"	410.154588	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+Na+K"	61.952376
"774228"	599.743788	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+Na+K"	61.952376
"1671651"	220.565388	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Na+K"	61.952376
"255985"	822.372568	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+ACN+Na"	64.015768
"1230157"	443.194168	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+ACN+Na"	64.015768
"1718681"	443.217693	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+NH4+HCOOH"	64.039293
"1185127"	149.382018	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+3Na"	68.967654
"1655019"	448.173088	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Na+HCOOH"	68.994688
"161153"	835.27584	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+2K-H"	76.91904
"601442"	1214.45424	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+2K-H"	76.91904
"1088139"	456.09744	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2K-H"	76.91904
"142770"	418.141558	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"2M+2K"	77.926316
"581718"	607.730758	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"3M+2K"	77.926316
"1072309"	228.552358	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2K"	77.926316
"1102240"	458.111992	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2K+H"	78.933592
"1340810"	458.199607	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+DMSO+H"	79.021207
"1011526"	462.238776	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2ACN+H"	83.060376
"1529652"	463.232408	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+IsoProp+Na+H"	84.054008
"992094"	231.623026	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+2ACN+2H"	84.067652
"1592796"	464.147028	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+K+HCOOH"	84.968628
"1420640"	494.178538	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+H+CF3COOH"	115.000138
"1153117"	252.136301	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+3ACN+2H"	125.094202
"1699388"	511.205085	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+NH4+CF3COOH"	132.026685
"1637228"	516.16048	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+Na+CF3COOH"	136.98208
"1571907"	532.13442	"C12341"	"Dioncophyllinol B"	"C23H25NO4"	"379.1784"	"M+K+CF3COOH"	152.95602
"803610"	435.241	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M"	0
"981151"	416.22261	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-H2O-H"	-19.01839
"66111"	289.153390666667	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M-3H"	-3.021828
"515517"	434.233724	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M-3H"	-3.021828
"886760"	144.073057333333	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-3H"	-3.021828
"8616"	434.233724	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M-2H"	-2.014552
"445992"	651.854224	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M-2H"	-2.014552
"831944"	216.613224	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-2H"	-2.014552
"93275"	869.474724	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M-H"	-1.007276
"531006"	1304.715724	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M-H"	-1.007276
"907715"	434.233724	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-H"	-1.007276
"59906"	886.501271	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M-2H+NH4"	16.019271
"501534"	1321.742271	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M-2H+NH4"	16.019271
"877146"	451.260271	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-2H+NH4"	16.019271
"44072"	891.456666	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M-2H+Na"	20.974666
"482539"	1326.697666	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M-2H+Na"	20.974666
"859253"	456.215666	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-2H+Na"	20.974666
"1630971"	456.215666	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Na-2H"	20.974666
"104218"	452.222063	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M-H+Cl"	33.962126
"543780"	669.842563	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M-H+Cl"	33.962126
"931827"	234.601563	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-H+Cl"	33.962126
"268922"	905.451402	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+Cl"	34.969402
"664990"	1340.692402	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+Cl"	34.969402
"1278490"	470.210402	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Cl"	34.969402
"17760"	907.430606	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M-2H+K"	36.948606
"456710"	1342.671606	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M-2H+K"	36.948606
"836583"	472.189606	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-2H+K"	36.948606
"1559704"	472.189606	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+K-2H"	36.948606
"945037"	480.239194	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-H+HCOOH"	44.998194
"361842"	915.480201	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+HCOOH-H"	44.998201
"346534"	929.495851	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+Hac-H"	59.013851
"1493780"	494.254851	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Hac-H"	59.013851
"971546"	502.221151	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-H+NaCOOH"	66.980151
"122272"	470.210402	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+2Cl"	69.938804
"562197"	687.830902	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+2Cl"	69.938804
"1028808"	252.589902	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2Cl"	69.938804
"1250572"	514.159885	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Br"	78.918885
"1313021"	516.215872	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Cl+HCOOH"	80.974872
"1327237"	538.197829	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Cl+NaCOOH"	102.956829
"922668"	548.226586	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M-H+CF3COOH"	112.985586
"1296103"	584.203264	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Cl+CF3COOH"	148.962264
"1373170"	400.228324	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H-2H2O"	-35.012676
"1389574"	418.2383	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H-H2O"	-17.0027
"290356"	871.489276	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+H"	1.007276
"682777"	1306.730276	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+H"	1.007276
"1356938"	436.248276	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H"	1.007276
"132013"	436.248276	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+2H"	2.014552
"571570"	653.868776	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+2H"	2.014552
"1041462"	218.627776	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2H"	2.014552
"208270"	291.167942666667	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+3H"	3.021828
"647098"	436.248276	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+3H"	3.021828
"1171425"	146.087609333333	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+3H"	3.021828
"430322"	888.515823	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+NH4"	18.033823
"793507"	1323.756823	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+NH4"	18.033823
"1689837"	453.274823	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+NH4"	18.033823
"341403"	444.7615495	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+H+NH4"	19.041099
"732733"	662.3820495	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+H+NH4"	19.041099
"1486553"	227.1410495	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H+NH4"	19.041099
"398668"	893.471218	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+Na"	22.989218
"761851"	1328.712218	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+Na"	22.989218
"1606303"	458.230218	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Na"	22.989218
"317067"	447.239247	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+H+Na"	23.996494
"709851"	664.859747	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+H+Na"	23.996494
"1465129"	229.618747	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H+Na"	23.996494
"1059478"	153.414923333333	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2H+Na"	25.00377
"1267721"	468.274486	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+CH3OH+H"	33.033486
"385205"	909.445158	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+K"	38.963158
"747295"	1344.686158	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+K"	38.963158
"1549347"	474.204158	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+K"	38.963158
"305794"	455.226217	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+H+K"	39.970434
"701133"	672.846717	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+H+K"	39.970434
"1454953"	237.605717	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H+K"	39.970434
"243554"	912.515826	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+ACN+H"	42.033826
"1216264"	477.274826	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+ACN+H"	42.033826
"1201243"	239.141051	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+ACN+2H"	43.041102
"196301"	915.45316	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+2Na-H"	44.97116
"639143"	1350.69416	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+2Na-H"	44.97116
"1139371"	480.21216	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2Na-H"	44.97116
"182658"	458.230218	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+2Na"	45.978436
"616751"	675.850718	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+2Na"	45.978436
"1121351"	240.609718	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2Na"	45.978436
"1403417"	160.742237333333	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H+2Na"	46.985712
"1434803"	482.253746	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H+HCOOH"	47.012746
"224863"	463.26324	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+3H2O+2H"	56.04448
"1514749"	496.30579	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+IsoProp+H"	61.06479
"411519"	466.217188	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+Na+K"	61.952376
"775431"	683.837688	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+Na+K"	61.952376
"1668481"	248.596688	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Na+K"	61.952376
"256095"	934.497768	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+ACN+Na"	64.015768
"1230992"	499.256768	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+ACN+Na"	64.015768
"1719155"	499.280293	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+NH4+HCOOH"	64.039293
"1183417"	168.069551333333	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+3Na"	68.967654
"1656225"	504.235688	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Na+HCOOH"	68.994688
"159808"	947.40104	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+2K-H"	76.91904
"600461"	1382.64204	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+2K-H"	76.91904
"1088253"	512.16004	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2K-H"	76.91904
"147255"	474.204158	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"2M+2K"	77.926316
"585722"	691.824658	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"3M+2K"	77.926316
"1072423"	256.583658	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2K"	77.926316
"1105633"	514.174592	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2K+H"	78.933592
"1340921"	514.262207	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+DMSO+H"	79.021207
"1009450"	518.301376	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2ACN+H"	83.060376
"1530856"	519.295008	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+IsoProp+Na+H"	84.054008
"998402"	259.654326	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+2ACN+2H"	84.067652
"1595092"	520.209628	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+K+HCOOH"	84.968628
"1420750"	550.241138	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+H+CF3COOH"	115.000138
"1152134"	280.167601	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+3ACN+2H"	125.094202
"1698403"	567.267685	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+NH4+CF3COOH"	132.026685
"1637338"	572.22308	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+Na+CF3COOH"	136.98208
"1572017"	588.19702	"C12342"	"Ancistrobrevine A"	"C27H33NO4"	"435.241"	"M+K+CF3COOH"	152.95602
"802991"	192.0786	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M"	0
"979075"	173.06021	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"64763"	127.045124	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"512345"	191.071324	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"892334"	63.018924	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"3257"	191.071324	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"446100"	287.110624	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"832674"	95.032024	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"94202"	383.149924	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"532209"	575.228524	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"907825"	191.071324	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"56734"	400.176471	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"497388"	592.255071	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"877377"	208.097871	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"46007"	405.131866	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"481553"	597.210466	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"860454"	213.053266	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1629986"	213.053266	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"104328"	209.059663	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"541702"	305.098963	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"932302"	113.020363	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"270493"	419.126602	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"664008"	611.205202	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1275680"	227.048002	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"18599"	421.105806	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"456939"	613.184406	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"836329"	229.027206	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1557630"	229.027206	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"945150"	237.076794	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"362633"	429.155401	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"347250"	443.171051	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1492932"	251.092451	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"973232"	259.058751	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"125303"	227.048002	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"563036"	323.087302	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1034385"	131.008702	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1247402"	270.997485	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1315318"	273.053472	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1334640"	295.035429	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"919498"	305.064186	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1302774"	341.040864	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1378747"	157.065924	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1391871"	175.0759	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"296299"	385.164476	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"686167"	577.243076	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1360328"	193.085876	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"133216"	193.085876	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"571680"	289.125176	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1041572"	97.046576	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"208015"	129.059676	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"649030"	193.085876	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1170441"	65.033476	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"430432"	402.191023	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"793619"	594.269623	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1689947"	210.112423	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"339327"	201.5991495	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"737461"	297.6384495	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1484476"	105.5598495	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"397685"	407.146418	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"763054"	599.225018	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1606778"	215.067818	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"315721"	204.076847	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"710326"	300.116147	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1466331"	108.037547	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1061777"	72.36079	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1263457"	225.112086	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"385317"	423.120358	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"748498"	615.198958	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1549456"	231.041758	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"308821"	212.063817	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"700148"	308.103117	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1457250"	116.024517	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"244757"	426.191026	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1216374"	234.112426	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1200258"	117.559851	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"195316"	429.12836	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"640345"	621.20696	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1142758"	237.04976	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"177664"	215.067818	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"622328"	311.107118	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1124741"	119.028518	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1408264"	79.688104	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1436007"	239.091346	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"226067"	220.10084	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1515951"	253.14339	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"416731"	223.054788	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"770800"	319.094088	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1670777"	127.015488	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"251947"	448.172968	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1227451"	256.094368	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1716700"	256.117893	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1188630"	87.015418	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1656335"	261.073288	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"162104"	461.07624	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"602757"	653.15484	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1090549"	268.99764	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"147366"	231.041758	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"582673"	327.081058	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1072533"	135.002458	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1103556"	271.012192	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1343217"	271.099807	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1007371"	275.138976	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1529873"	276.132608	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"999605"	138.073126	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1595202"	277.047228	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1418673"	307.078738	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1153337"	158.586401	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1698513"	324.105285	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1637448"	329.06068	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1572370"	345.03462	"C12343"	"Isoshinanolone"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"812214"	174.0681	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M"	0
"982465"	155.04971	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H2O-H"	-19.01839
"68521"	115.038124	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-3H"	-3.021828
"512456"	173.060824	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-3H"	-3.021828
"891352"	57.015424	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-3H"	-3.021828
"8831"	173.060824	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H"	-2.014552
"444023"	260.094874	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H"	-2.014552
"832646"	86.026774	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H"	-2.014552
"94066"	347.128924	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-H"	-1.007276
"534107"	521.197024	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-H"	-1.007276
"910124"	173.060824	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H"	-1.007276
"51377"	364.155471	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H+NH4"	16.019271
"494218"	538.223571	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H+NH4"	16.019271
"875300"	190.087371	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H+NH4"	16.019271
"46359"	369.110866	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H+Na"	20.974666
"480567"	543.178966	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H+Na"	20.974666
"860564"	195.042766	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H+Na"	20.974666
"1630096"	195.042766	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na-2H"	20.974666
"102251"	191.049163	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-H+Cl"	33.962126
"545092"	278.083213	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-H+Cl"	33.962126
"930955"	104.015113	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+Cl"	33.962126
"272791"	383.105602	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Cl"	34.969402
"666307"	557.173702	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+Cl"	34.969402
"1275062"	209.037502	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl"	34.969402
"17253"	385.084806	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H+K"	36.948606
"457537"	559.152906	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H+K"	36.948606
"836440"	211.016706	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H+K"	36.948606
"1558104"	211.016706	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K-2H"	36.948606
"951092"	219.066294	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+HCOOH"	44.998194
"364203"	393.134401	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+HCOOH-H"	44.998201
"345811"	407.150051	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Hac-H"	59.013851
"1493392"	233.081951	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Hac-H"	59.013851
"973220"	241.048251	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+NaCOOH"	66.980151
"122857"	209.037502	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2Cl"	69.938804
"565537"	296.071552	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2Cl"	69.938804
"1034495"	122.003452	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2Cl"	69.938804
"1247512"	252.986985	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Br"	78.918885
"1315428"	255.042972	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl+HCOOH"	80.974872
"1332925"	277.024929	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl+NaCOOH"	102.956829
"921795"	287.053686	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+CF3COOH"	112.985586
"1302884"	323.030364	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl+CF3COOH"	148.962264
"1377764"	139.055424	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H-2H2O"	-35.012676
"1388701"	157.0654	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H-H2O"	-17.0027
"296655"	349.143476	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H"	1.007276
"684090"	523.211576	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H"	1.007276
"1360438"	175.075376	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H"	1.007276
"133326"	175.075376	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2H"	2.014552
"571790"	262.109426	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2H"	2.014552
"1040588"	88.041326	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2H"	2.014552
"207761"	117.052676	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+3H"	3.021828
"649140"	175.075376	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+3H"	3.021828
"1171644"	59.029976	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+3H"	3.021828
"430542"	366.170023	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+NH4"	18.033823
"795915"	540.238123	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+NH4"	18.033823
"1690058"	192.101923	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+NH4"	18.033823
"334333"	183.5886495	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H+NH4"	19.041099
"729672"	270.6226995	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H+NH4"	19.041099
"1484586"	96.5545995	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+NH4"	19.041099
"396703"	371.125418	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Na"	22.989218
"758788"	545.193518	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+Na"	22.989218
"1605066"	197.057318	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na"	22.989218
"316558"	186.066347	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H+Na"	23.996494
"710433"	273.100397	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H+Na"	23.996494
"1466441"	99.032297	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+Na"	23.996494
"1061887"	66.35729	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2H+Na"	25.00377
"1264660"	207.101586	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+CH3OH+H"	33.033486
"387615"	387.099358	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+K"	38.963158
"751889"	561.167458	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+K"	38.963158
"1551753"	213.031258	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K"	38.963158
"312212"	194.053317	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H+K"	39.970434
"700260"	281.087367	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H+K"	39.970434
"1455173"	107.019267	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+K"	39.970434
"243774"	390.170026	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+ACN+H"	42.033826
"1215391"	216.101926	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+ACN+H"	42.033826
"1200368"	108.554601	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+ACN+2H"	43.041102
"197613"	393.10736	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2Na-H"	44.97116
"640455"	567.17546	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2Na-H"	44.97116
"1142869"	219.03926	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2Na-H"	44.97116
"177774"	197.057318	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2Na"	45.978436
"621344"	284.091368	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2Na"	45.978436
"1121570"	110.023268	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2Na"	45.978436
"1405094"	73.684604	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+2Na"	46.985712
"1434294"	221.080846	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+HCOOH"	47.012746
"228000"	202.09034	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+3H2O+2H"	56.04448
"1512781"	235.13289	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+IsoProp+H"	61.06479
"414653"	205.044288	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Na+K"	61.952376
"772005"	292.078338	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+Na+K"	61.952376
"1669064"	118.010238	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na+K"	61.952376
"254490"	412.151968	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+ACN+Na"	64.015768
"1227926"	238.083868	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+ACN+Na"	64.015768
"1714745"	238.107393	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+NH4+HCOOH"	64.039293
"1184366"	81.011918	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+3Na"	68.967654
"1656446"	243.062788	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na+HCOOH"	68.994688
"165494"	425.05524	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2K-H"	76.91904
"605054"	599.12334	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2K-H"	76.91904
"1091753"	250.98714	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2K-H"	76.91904
"150757"	213.031258	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2K"	77.926316
"585943"	300.065308	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2K"	77.926316
"1073737"	125.997208	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2K"	77.926316
"1104760"	253.001692	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2K+H"	78.933592
"1342234"	253.089307	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+DMSO+H"	79.021207
"1010764"	257.128476	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2ACN+H"	83.060376
"1533263"	258.122108	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+IsoProp+Na+H"	84.054008
"998622"	129.067876	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2ACN+2H"	84.067652
"1594219"	259.036728	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K+HCOOH"	84.968628
"1416961"	289.068238	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+CF3COOH"	115.000138
"1152354"	149.581151	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+3ACN+2H"	125.094202
"1698624"	306.094785	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+NH4+CF3COOH"	132.026685
"1640838"	311.05018	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na+CF3COOH"	136.98208
"1572480"	327.02412	"C12344"	"18-Dihydroxy-3-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K+CF3COOH"	152.95602
"812324"	189.079	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M"	0
"979295"	170.06061	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-H2O-H"	-19.01839
"66443"	125.045390666667	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M-3H"	-3.021828
"510378"	188.071724	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M-3H"	-3.021828
"889275"	62.0190573333333	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-3H"	-3.021828
"5661"	188.071724	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M-2H"	-2.014552
"446314"	282.611224	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M-2H"	-2.014552
"830690"	93.532224	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-2H"	-2.014552
"93360"	377.150724	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M-H"	-1.007276
"533528"	566.229724	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M-H"	-1.007276
"910113"	188.071724	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-H"	-1.007276
"53674"	394.177271	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M-2H+NH4"	16.019271
"494328"	583.256271	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M-2H+NH4"	16.019271
"876504"	205.098271	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-2H+NH4"	16.019271
"41123"	399.132666	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M-2H+Na"	20.974666
"479584"	588.211666	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M-2H+Na"	20.974666
"861768"	210.053666	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-2H+Na"	20.974666
"1628019"	210.053666	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Na-2H"	20.974666
"101267"	206.060063	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M-H+Cl"	33.962126
"537543"	300.599563	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M-H+Cl"	33.962126
"932158"	111.520563	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-H+Cl"	33.962126
"272901"	413.127402	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+Cl"	34.969402
"664230"	602.206402	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+Cl"	34.969402
"1274080"	224.048402	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Cl"	34.969402
"18089"	415.106606	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M-2H+K"	36.948606
"457283"	604.185606	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M-2H+K"	36.948606
"833998"	226.027606	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-2H+K"	36.948606
"1556390"	226.027606	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+K-2H"	36.948606
"944642"	234.077194	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-H+HCOOH"	44.998194
"361757"	423.156201	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+HCOOH-H"	44.998201
"346050"	437.171851	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+Hac-H"	59.013851
"1495199"	248.092851	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Hac-H"	59.013851
"959350"	256.059151	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-H+NaCOOH"	66.980151
"110240"	224.048402	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+2Cl"	69.938804
"564713"	318.587902	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+2Cl"	69.938804
"1034605"	129.508902	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2Cl"	69.938804
"1244342"	267.997885	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Br"	78.918885
"1312258"	270.053872	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Cl+HCOOH"	80.974872
"1325381"	292.035829	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Cl+NaCOOH"	102.956829
"918625"	302.064586	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M-H+CF3COOH"	112.985586
"1301901"	338.041264	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Cl+CF3COOH"	148.962264
"1378967"	154.066324	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H-2H2O"	-35.012676
"1389904"	172.0763	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H-H2O"	-17.0027
"296523"	379.165276	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+H"	1.007276
"684200"	568.244276	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+H"	1.007276
"1360548"	190.086276	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H"	1.007276
"132343"	190.086276	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+2H"	2.014552
"570807"	284.625776	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+2H"	2.014552
"1040333"	95.546776	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2H"	2.014552
"207871"	127.059942666667	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+3H"	3.021828
"649251"	190.086276	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+3H"	3.021828
"1171754"	64.0336093333333	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+3H"	3.021828
"431746"	396.191823	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+NH4"	18.033823
"792745"	585.270823	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+NH4"	18.033823
"1690167"	207.112823	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+NH4"	18.033823
"339547"	198.5995495	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+H+NH4"	19.041099
"730874"	293.1390495	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+H+NH4"	19.041099
"1485789"	104.0600495	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H+NH4"	19.041099
"395353"	401.147218	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+Na"	22.989218
"757805"	590.226218	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+Na"	22.989218
"1605905"	212.068218	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Na"	22.989218
"317032"	201.077247	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+H+Na"	23.996494
"709814"	295.616747	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+H+Na"	23.996494
"1463635"	106.537747	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H+Na"	23.996494
"1060904"	71.3609233333333	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2H+Na"	25.00377
"1266957"	222.112486	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+CH3OH+H"	33.033486
"386632"	417.121158	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+K"	38.963158
"748720"	606.200158	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+K"	38.963158
"1550770"	228.042158	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+K"	38.963158
"311229"	209.064217	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+H+K"	39.970434
"702556"	303.603717	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+H+K"	39.970434
"1455283"	114.524717	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H+K"	39.970434
"242791"	420.191826	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+ACN+H"	42.033826
"1217688"	231.112826	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+ACN+H"	42.033826
"1200478"	116.060051	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+ACN+2H"	43.041102
"197723"	423.12916	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+2Na-H"	44.97116
"640565"	612.20816	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+2Na-H"	44.97116
"1140792"	234.05016	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2Na-H"	44.97116
"177884"	212.068218	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+2Na"	45.978436
"618174"	306.607718	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+2Na"	45.978436
"1121680"	117.528718	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2Na"	45.978436
"1405204"	78.6882373333333	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H+2Na"	46.985712
"1432582"	236.091746	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H+HCOOH"	47.012746
"228474"	217.10124	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+3H2O+2H"	56.04448
"1510703"	250.14379	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+IsoProp+H"	61.06479
"413305"	220.055188	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+Na+K"	61.952376
"775758"	314.594688	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+Na+K"	61.952376
"1666622"	125.515688	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Na+K"	61.952376
"255327"	442.173768	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+ACN+Na"	64.015768
"1225925"	253.094768	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+ACN+Na"	64.015768
"1713761"	253.118293	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+NH4+HCOOH"	64.039293
"1181196"	86.0155513333333	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+3Na"	68.967654
"1654368"	258.073688	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Na+HCOOH"	68.994688
"162324"	455.07704	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+2K-H"	76.91904
"602977"	644.15604	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+2K-H"	76.91904
"1091863"	265.99804	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2K-H"	76.91904
"147584"	228.042158	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"2M+2K"	77.926316
"587146"	322.581658	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"3M+2K"	77.926316
"1071660"	133.502658	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2K"	77.926316
"1103776"	268.012592	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2K+H"	78.933592
"1339065"	268.100207	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+DMSO+H"	79.021207
"1008688"	272.139376	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2ACN+H"	83.060376
"1525718"	273.133008	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+IsoProp+Na+H"	84.054008
"991441"	136.573326	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+2ACN+2H"	84.067652
"1594329"	274.047628	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+K+HCOOH"	84.968628
"1417800"	304.079138	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+H+CF3COOH"	115.000138
"1152464"	157.086601	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+3ACN+2H"	125.094202
"1706389"	321.105685	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+NH4+CF3COOH"	132.026685
"1644229"	326.06108	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+Na+CF3COOH"	136.98208
"1572590"	342.03502	"C12345"	"13-Dimethyl-68-isoquinolinediol"	"C11H11NO2"	"189.079"	"M+K+CF3COOH"	152.95602
"810247"	173.0841	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M"	0
"984874"	154.06571	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-H2O-H"	-19.01839
"67647"	114.382124	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M-3H"	-3.021828
"505385"	172.076824	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M-3H"	-3.021828
"883917"	56.687424	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-3H"	-3.021828
"5770"	172.076824	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M-2H"	-2.014552
"440589"	258.618874	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M-2H"	-2.014552
"832145"	85.534774	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-2H"	-2.014552
"93594"	345.160924	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M-H"	-1.007276
"533519"	518.245024	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M-H"	-1.007276
"910469"	172.076824	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-H"	-1.007276
"61810"	362.187471	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M-2H+NH4"	16.019271
"502384"	535.271571	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M-2H+NH4"	16.019271
"878444"	189.103371	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-2H+NH4"	16.019271
"46548"	367.142866	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M-2H+Na"	20.974666
"486015"	540.226966	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M-2H+Na"	20.974666
"861513"	194.058766	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-2H+Na"	20.974666
"1630316"	194.058766	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Na-2H"	20.974666
"104658"	190.065163	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M-H+Cl"	33.962126
"542030"	276.607213	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M-H+Cl"	33.962126
"935546"	103.523113	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-H+Cl"	33.962126
"276292"	381.137602	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+Cl"	34.969402
"664703"	554.221702	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+Cl"	34.969402
"1277832"	208.053502	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Cl"	34.969402
"20751"	383.116806	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M-2H+K"	36.948606
"459221"	556.200906	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M-2H+K"	36.948606
"834108"	210.032706	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-2H+K"	36.948606
"1557596"	210.032706	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+K-2H"	36.948606
"943778"	218.082294	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-H+HCOOH"	44.998194
"365148"	391.166401	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+HCOOH-H"	44.998201
"346116"	405.182051	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+Hac-H"	59.013851
"1495674"	232.097951	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Hac-H"	59.013851
"959947"	240.064251	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-H+NaCOOH"	66.980151
"110791"	208.053502	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+2Cl"	69.938804
"564825"	294.595552	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+2Cl"	69.938804
"1036542"	121.511452	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2Cl"	69.938804
"1247732"	252.002985	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Br"	78.918885
"1313461"	254.058972	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Cl+HCOOH"	80.974872
"1322211"	276.040929	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Cl+NaCOOH"	102.956829
"914361"	286.069686	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M-H+CF3COOH"	112.985586
"1298730"	322.046364	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Cl+CF3COOH"	148.962264
"1375797"	138.071424	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H-2H2O"	-35.012676
"1386733"	156.0814	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H-H2O"	-17.0027
"297359"	347.175476	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+H"	1.007276
"681029"	520.259576	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+H"	1.007276
"1357378"	174.091376	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H"	1.007276
"132450"	174.091376	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+2H"	2.014552
"572010"	260.633426	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+2H"	2.014552
"1045182"	87.549326	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2H"	2.014552
"210897"	116.396676	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+3H"	3.021828
"649363"	174.091376	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+3H"	3.021828
"1171864"	58.701976	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+3H"	3.021828
"427845"	364.202023	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+NH4"	18.033823
"792853"	537.286123	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+NH4"	18.033823
"1688089"	191.117923	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+NH4"	18.033823
"337469"	182.6046495	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+H+NH4"	19.041099
"727337"	269.1466995	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+H+NH4"	19.041099
"1483705"	96.0625995	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H+NH4"	19.041099
"395825"	369.157418	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+Na"	22.989218
"758273"	542.241518	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+Na"	22.989218
"1606015"	196.073318	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Na"	22.989218
"317506"	185.082347	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+H+Na"	23.996494
"707610"	271.624397	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+H+Na"	23.996494
"1464470"	98.540297	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H+Na"	23.996494
"1062105"	66.02929	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2H+Na"	25.00377
"1262694"	206.117586	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+CH3OH+H"	33.033486
"389660"	385.131358	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+K"	38.963158
"749924"	558.215458	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+K"	38.963158
"1549786"	212.047258	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+K"	38.963158
"309151"	193.069317	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+H+K"	39.970434
"701572"	279.611367	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+H+K"	39.970434
"1454300"	106.527267	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H+K"	39.970434
"242903"	388.202026	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+ACN+H"	42.033826
"1217798"	215.117926	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+ACN+H"	42.033826
"1204963"	108.062601	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+ACN+2H"	43.041102
"200021"	391.13936	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+2Na-H"	44.97116
"638489"	564.22346	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+2Na-H"	44.97116
"1134340"	218.05526	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2Na-H"	44.97116
"176901"	196.073318	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+2Na"	45.978436
"616095"	282.615368	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+2Na"	45.978436
"1125071"	109.531268	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2Na"	45.978436
"1405314"	73.356604	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H+2Na"	46.985712
"1436701"	220.096846	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H+HCOOH"	47.012746
"228219"	201.10634	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+3H2O+2H"	56.04448
"1519562"	234.14889	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+IsoProp+H"	61.06479
"414508"	204.060288	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+Na+K"	61.952376
"775138"	290.602338	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+Na+K"	61.952376
"1668919"	117.518238	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Na+K"	61.952376
"254344"	410.183968	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+ACN+Na"	64.015768
"1225958"	237.099868	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+ACN+Na"	64.015768
"1714116"	237.123393	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+NH4+HCOOH"	64.039293
"1178778"	80.683918	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+3Na"	68.967654
"1651186"	242.078788	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Na+HCOOH"	68.994688
"161699"	423.08724	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+2K-H"	76.91904
"603085"	596.17134	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+2K-H"	76.91904
"1096348"	250.00314	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2K-H"	76.91904
"155351"	212.047258	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"2M+2K"	77.926316
"593455"	298.589308	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"3M+2K"	77.926316
"1080520"	125.505208	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2K"	77.926316
"1113731"	252.017692	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2K+H"	78.933592
"1342459"	252.105307	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+DMSO+H"	79.021207
"1019735"	256.144476	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2ACN+H"	83.060376
"1535672"	257.138108	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+IsoProp+Na+H"	84.054008
"998842"	128.575876	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+2ACN+2H"	84.067652
"1594439"	258.052728	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+K+HCOOH"	84.968628
"1421192"	288.084238	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+H+CF3COOH"	115.000138
"1159136"	149.089151	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+3ACN+2H"	125.094202
"1706499"	305.110785	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+NH4+CF3COOH"	132.026685
"1644339"	310.06618	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+Na+CF3COOH"	136.98208
"1572700"	326.04012	"C12346"	"13-Dimethyl-8-isoquinolinol"	"C11H11NO"	"173.0841"	"M+K+CF3COOH"	152.95602
"802703"	373.9569	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M"	0
"979515"	354.93851	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-H2O-H"	-19.01839
"65569"	248.297324	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M-3H"	-3.021828
"505129"	372.949624	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M-3H"	-3.021828
"881107"	123.645024	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-3H"	-3.021828
"2598"	372.949624	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M-2H"	-2.014552
"440336"	559.928074	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M-2H"	-2.014552
"817891"	185.971174	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-2H"	-2.014552
"79343"	746.906524	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M-H"	-1.007276
"519880"	1120.863424	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M-H"	-1.007276
"909359"	372.949624	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-H"	-1.007276
"60456"	763.933071	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M-2H+NH4"	16.019271
"502210"	1137.889971	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M-2H+NH4"	16.019271
"879036"	389.976171	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-2H+NH4"	16.019271
"44989"	768.888466	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M-2H+Na"	20.974666
"485891"	1142.845366	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M-2H+Na"	20.974666
"863810"	394.931566	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-2H+Na"	20.974666
"1630426"	394.931566	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Na-2H"	20.974666
"104768"	390.937963	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M-H+Cl"	33.962126
"545420"	577.916413	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M-H+Cl"	33.962126
"932737"	203.959513	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-H+Cl"	33.962126
"275309"	782.883202	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+Cl"	34.969402
"665542"	1156.840102	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+Cl"	34.969402
"1275756"	408.926302	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Cl"	34.969402
"20861"	784.862406	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M-2H+K"	36.948606
"458967"	1158.819306	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M-2H+K"	36.948606
"834218"	410.905506	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-2H+K"	36.948606
"1557706"	410.905506	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+K-2H"	36.948606
"943403"	418.955094	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-H+HCOOH"	44.998194
"363437"	792.912001	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+HCOOH-H"	44.998201
"347321"	806.927651	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+Hac-H"	59.013851
"1494329"	432.970751	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Hac-H"	59.013851
"960057"	440.937051	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-H+NaCOOH"	66.980151
"110454"	408.926302	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+2Cl"	69.938804
"550823"	595.904752	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+2Cl"	69.938804
"1023886"	221.947852	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2Cl"	69.938804
"1253310"	452.875785	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Br"	78.918885
"1313570"	454.931772	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Cl+HCOOH"	80.974872
"1332161"	476.913729	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Cl+NaCOOH"	102.956829
"911555"	486.942486	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M-H+CF3COOH"	112.985586
"1288658"	522.919164	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Cl+CF3COOH"	148.962264
"1371530"	338.944224	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H-2H2O"	-35.012676
"1392312"	356.9542	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H-H2O"	-17.0027
"295278"	748.921076	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+H"	1.007276
"678952"	1122.877976	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+H"	1.007276
"1357487"	374.964176	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H"	1.007276
"132560"	374.964176	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+2H"	2.014552
"567381"	561.942626	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+2H"	2.014552
"1040189"	187.985726	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2H"	2.014552
"207724"	250.311876	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+3H"	3.021828
"651658"	374.964176	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+3H"	3.021828
"1167595"	125.659576	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+3H"	3.021828
"428682"	765.947623	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+NH4"	18.033823
"791869"	1139.904523	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+NH4"	18.033823
"1688199"	391.990723	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+NH4"	18.033823
"337573"	383.4774495	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+H+NH4"	19.041099
"727447"	570.4558995	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+H+NH4"	19.041099
"1481630"	196.4989995	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H+NH4"	19.041099
"394476"	770.903018	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+Na"	22.989218
"756927"	1144.859918	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+Na"	22.989218
"1606123"	396.946118	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Na"	22.989218
"316523"	385.955147	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+H+Na"	23.996494
"708449"	572.933597	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+H+Na"	23.996494
"1463119"	198.976697	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H+Na"	23.996494
"1058930"	132.98689	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2H+Na"	25.00377
"1263895"	406.990386	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+CH3OH+H"	33.033486
"390866"	786.876958	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+K"	38.963158
"751856"	1160.833858	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+K"	38.963158
"1549896"	412.920058	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+K"	38.963158
"312541"	393.942117	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+H+K"	39.970434
"701683"	580.920567	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+H+K"	39.970434
"1455503"	206.963667	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H+K"	39.970434
"243013"	789.947626	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+ACN+H"	42.033826
"1212805"	415.990726	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+ACN+H"	42.033826
"1205073"	208.499001	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+ACN+2H"	43.041102
"199037"	792.88496	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+2Na-H"	44.97116
"637507"	1166.84186	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+2Na-H"	44.97116
"1134450"	418.92806	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2Na-H"	44.97116
"176647"	396.946118	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+2Na"	45.978436
"620581"	583.924568	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+2Na"	45.978436
"1121901"	209.967668	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2Na"	45.978436
"1401048"	140.314204	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H+2Na"	46.985712
"1435352"	420.969646	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H+HCOOH"	47.012746
"224320"	401.97914	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+3H2O+2H"	56.04448
"1517486"	435.02169	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+IsoProp+H"	61.06479
"417171"	404.933088	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+Na+K"	61.952376
"779259"	591.911538	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+Na+K"	61.952376
"1669758"	217.954638	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Na+K"	61.952376
"255183"	811.929568	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+ACN+Na"	64.015768
"1226797"	437.972668	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+ACN+Na"	64.015768
"1713862"	437.996193	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+NH4+HCOOH"	64.039293
"1178541"	147.641518	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+3Na"	68.967654
"1650079"	442.951588	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Na+HCOOH"	68.994688
"161445"	824.83284	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+2K-H"	76.91904
"603195"	1198.78974	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+2K-H"	76.91904
"1096459"	450.87594	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2K-H"	76.91904
"153275"	412.920058	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"2M+2K"	77.926316
"595146"	599.898508	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"3M+2K"	77.926316
"1079537"	225.941608	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2K"	77.926316
"1113962"	452.890492	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2K+H"	78.933592
"1345850"	452.978107	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+DMSO+H"	79.021207
"1018752"	457.017276	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2ACN+H"	83.060376
"1534689"	458.010908	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+IsoProp+Na+H"	84.054008
"1004178"	229.012276	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+2ACN+2H"	84.067652
"1596736"	458.925528	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+K+HCOOH"	84.968628
"1423489"	488.957038	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+H+CF3COOH"	115.000138
"1162284"	249.525551	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+3ACN+2H"	125.094202
"1708796"	505.983585	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+NH4+CF3COOH"	132.026685
"1647729"	510.93898	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+Na+CF3COOH"	136.98208
"1576818"	526.91292	"C12347"	"Deoxyribose triphosphate"	"C5H13O13P3"	"373.9569"	"M+K+CF3COOH"	152.95602
"815957"	384.0845	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M"	0
"982929"	365.06611	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-H2O-H"	-19.01839
"65702"	255.049057333333	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M-3H"	-3.021828
"505623"	383.077224	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M-3H"	-3.021828
"883063"	127.020890666667	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-3H"	-3.021828
"2729"	383.077224	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M-2H"	-2.014552
"443383"	575.119474	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M-2H"	-2.014552
"821186"	191.034974	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-2H"	-2.014552
"84456"	767.161724	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M-H"	-1.007276
"522194"	1151.246224	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M-H"	-1.007276
"898901"	383.077224	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-H"	-1.007276
"56193"	784.188271	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M-2H+NH4"	16.019271
"494662"	1168.272771	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M-2H+NH4"	16.019271
"871369"	400.103771	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-2H+NH4"	16.019271
"35992"	789.143666	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M-2H+Na"	20.974666
"474825"	1173.228166	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M-2H+Na"	20.974666
"849711"	405.059166	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-2H+Na"	20.974666
"1621070"	405.059166	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Na-2H"	20.974666
"98329"	401.065563	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M-H+Cl"	33.962126
"537890"	593.107813	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M-H+Cl"	33.962126
"934685"	209.023313	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-H+Cl"	33.962126
"273244"	803.138402	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+Cl"	34.969402
"663842"	1187.222902	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+Cl"	34.969402
"1275886"	419.053902	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Cl"	34.969402
"30692"	805.117606	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M-2H+K"	36.948606
"470291"	1189.202106	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M-2H+K"	36.948606
"847970"	421.033106	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-2H+K"	36.948606
"1570359"	421.033106	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+K-2H"	36.948606
"957756"	429.082694	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-H+HCOOH"	44.998194
"375602"	813.167201	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+HCOOH-H"	44.998201
"358028"	827.182851	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+Hac-H"	59.013851
"1506131"	443.098351	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Hac-H"	59.013851
"968932"	451.064651	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-H+NaCOOH"	66.980151
"121120"	419.053902	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+2Cl"	69.938804
"561775"	611.096152	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+2Cl"	69.938804
"1031668"	227.011652	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2Cl"	69.938804
"1252341"	463.003385	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Br"	78.918885
"1315882"	465.059372	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Cl+HCOOH"	80.974872
"1325723"	487.041329	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Cl+NaCOOH"	102.956829
"918968"	497.070086	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M-H+CF3COOH"	112.985586
"1298965"	533.046764	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Cl+CF3COOH"	148.962264
"1374938"	349.071824	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H-2H2O"	-35.012676
"1387333"	367.0818	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H-H2O"	-17.0027
"294312"	769.176276	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+H"	1.007276
"681263"	1153.260776	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+H"	1.007276
"1360894"	385.091776	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H"	1.007276
"133785"	385.091776	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+2H"	2.014552
"573346"	577.134026	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+2H"	2.014552
"1039958"	193.049526	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2H"	2.014552
"210047"	257.063609333333	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+3H"	3.021828
"648515"	385.091776	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+3H"	3.021828
"1173202"	129.035442666667	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+3H"	3.021828
"432102"	786.202823	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+NH4"	18.033823
"794191"	1170.287323	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+NH4"	18.033823
"1696358"	402.118323	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+NH4"	18.033823
"343181"	393.6050495	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+H+NH4"	19.041099
"736328"	585.6472995	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+H+NH4"	19.041099
"1491484"	201.5627995	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H+NH4"	19.041099
"406639"	791.158218	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+Na"	22.989218
"765812"	1175.242718	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+Na"	22.989218
"1615005"	407.073718	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Na"	22.989218
"327108"	396.082747	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+H+Na"	23.996494
"715278"	588.124997	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+H+Na"	23.996494
"1471285"	204.040497	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H+Na"	23.996494
"1058334"	136.362756666667	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2H+Na"	25.00377
"1259649"	417.117986	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+CH3OH+H"	33.033486
"380775"	807.132158	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+K"	38.963158
"741771"	1191.216658	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+K"	38.963158
"1544555"	423.047658	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+K"	38.963158
"305011"	404.069717	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+H+K"	39.970434
"692693"	596.111967	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+H+K"	39.970434
"1454533"	212.027467	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H+K"	39.970434
"238762"	810.202826	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+ACN+H"	42.033826
"1218030"	426.118326	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+ACN+H"	42.033826
"1201911"	213.562801	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+ACN+2H"	43.041102
"195879"	813.14016	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+2Na-H"	44.97116
"634349"	1197.22466	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+2Na-H"	44.97116
"1138948"	429.05566	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2Na-H"	44.97116
"173486"	407.073718	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+2Na"	45.978436
"616332"	599.115968	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+2Na"	45.978436
"1116678"	215.031468	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2Na"	45.978436
"1399594"	143.690070666667	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H+2Na"	46.985712
"1430019"	431.097246	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H+HCOOH"	47.012746
"220158"	412.10674	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+3H2O+2H"	56.04448
"1509104"	445.14929	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+IsoProp+H"	61.06479
"408760"	415.060688	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+Na+K"	61.952376
"775013"	607.102938	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+Na+K"	61.952376
"1675720"	223.018438	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Na+K"	61.952376
"252401"	832.184768	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+ACN+Na"	64.015768
"1233858"	448.100268	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+ACN+Na"	64.015768
"1713997"	448.123793	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+NH4+HCOOH"	64.039293
"1180445"	151.017384666667	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+3Na"	68.967654
"1653615"	453.079188	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Na+HCOOH"	68.994688
"164853"	845.08804	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+2K-H"	76.91904
"604413"	1229.17254	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+2K-H"	76.91904
"1090019"	461.00354	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2K-H"	76.91904
"149024"	423.047658	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"2M+2K"	77.926316
"587490"	615.089908	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"3M+2K"	77.926316
"1076377"	231.005408	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2K"	77.926316
"1109589"	463.018092	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2K+H"	78.933592
"1344881"	463.105707	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+DMSO+H"	79.021207
"1018877"	467.144876	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2ACN+H"	83.060376
"1533724"	468.138508	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+IsoProp+Na+H"	84.054008
"996890"	234.076076	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+2ACN+2H"	84.067652
"1599047"	469.053128	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+K+HCOOH"	84.968628
"1424709"	499.084638	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+H+CF3COOH"	115.000138
"1161558"	254.589351	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+3ACN+2H"	125.094202
"1700171"	516.111185	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+NH4+CF3COOH"	132.026685
"1646765"	521.06658	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+Na+CF3COOH"	136.98208
"1579134"	537.04052	"C12366"	"Tetracenomycin F2;Tcm F2"	"C20H16O8"	"384.0845"	"M+K+CF3COOH"	152.95602
"809503"	366.074	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M"	0
"980851"	347.05561	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-H2O-H"	-19.01839
"66904"	243.042057333333	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M-3H"	-3.021828
"505369"	365.066724	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M-3H"	-3.021828
"880736"	121.017390666667	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-3H"	-3.021828
"1258"	365.066724	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M-2H"	-2.014552
"444586"	548.103724	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M-2H"	-2.014552
"822388"	182.029724	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-2H"	-2.014552
"79833"	731.140724	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M-H"	-1.007276
"524126"	1097.214724	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M-H"	-1.007276
"899746"	365.066724	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-H"	-1.007276
"57397"	748.167271	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M-2H+NH4"	16.019271
"498052"	1114.241271	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M-2H+NH4"	16.019271
"871480"	382.093271	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-2H+NH4"	16.019271
"37195"	753.122666	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M-2H+Na"	20.974666
"476027"	1119.196666	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M-2H+Na"	20.974666
"850309"	387.048666	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-2H+Na"	20.974666
"1621180"	387.048666	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Na-2H"	20.974666
"98439"	383.055063	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M-H+Cl"	33.962126
"536906"	566.092063	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M-H+Cl"	33.962126
"931515"	200.018063	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-H+Cl"	33.962126
"270437"	767.117402	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+Cl"	34.969402
"661763"	1133.191402	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+Cl"	34.969402
"1275996"	401.043402	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Cl"	34.969402
"31086"	769.096606	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M-2H+K"	36.948606
"471004"	1135.170606	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M-2H+K"	36.948606
"848474"	403.022606	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-2H+K"	36.948606
"1568887"	403.022606	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+K-2H"	36.948606
"955679"	411.072194	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-H+HCOOH"	44.998194
"372067"	777.146201	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+HCOOH-H"	44.998201
"358750"	791.161851	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+Hac-H"	59.013851
"1505147"	425.087851	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Hac-H"	59.013851
"967948"	433.054151	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-H+NaCOOH"	66.980151
"120136"	401.043402	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+2Cl"	69.938804
"557511"	584.080402	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+2Cl"	69.938804
"1028496"	218.006402	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2Cl"	69.938804
"1250264"	444.992885	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Br"	78.918885
"1310525"	447.048872	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Cl+HCOOH"	80.974872
"1325833"	469.030829	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Cl+NaCOOH"	102.956829
"919078"	479.059586	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M-H+CF3COOH"	112.985586
"1299075"	515.036264	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Cl+CF3COOH"	148.962264
"1373954"	331.061324	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H-2H2O"	-35.012676
"1390358"	349.0713	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H-H2O"	-17.0027
"291139"	733.155276	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+H"	1.007276
"681372"	1099.229276	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+H"	1.007276
"1361731"	367.081276	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H"	1.007276
"133895"	367.081276	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+2H"	2.014552
"572363"	550.118276	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+2H"	2.014552
"1038606"	184.044276	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2H"	2.014552
"207969"	245.056609333333	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+3H"	3.021828
"648625"	367.081276	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+3H"	3.021828
"1170032"	123.031942666667	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+3H"	3.021828
"432212"	750.181823	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+NH4"	18.033823
"794301"	1116.255823	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+NH4"	18.033823
"1695012"	384.107823	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+NH4"	18.033823
"345477"	375.5945495	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+H+NH4"	19.041099
"737168"	558.6315495	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+H+NH4"	19.041099
"1489528"	192.5575495	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H+NH4"	19.041099
"401646"	755.137218	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+Na"	22.989218
"768108"	1121.211218	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+Na"	22.989218
"1615115"	389.063218	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Na"	22.989218
"321873"	378.072247	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+H+Na"	23.996494
"716482"	561.109247	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+H+Na"	23.996494
"1471396"	195.035247	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H+Na"	23.996494
"1061360"	130.359256666667	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2H+Na"	25.00377
"1260855"	399.107486	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+CH3OH+H"	33.033486
"380523"	771.111158	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+K"	38.963158
"743703"	1137.185158	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+K"	38.963158
"1544665"	405.037158	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+K"	38.963158
"305120"	386.059217	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+H+K"	39.970434
"694262"	569.096217	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+H+K"	39.970434
"1454642"	203.022217	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H+K"	39.970434
"241059"	774.181826	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+ACN+H"	42.033826
"1217047"	408.107826	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+ACN+H"	42.033826
"1202021"	204.557551	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+ACN+2H"	43.041102
"192707"	777.11916	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+2Na-H"	44.97116
"638832"	1143.19316	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+2Na-H"	44.97116
"1137965"	411.04516	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2Na-H"	44.97116
"175788"	389.063218	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+2Na"	45.978436
"616443"	572.100218	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+2Na"	45.978436
"1122134"	206.026218	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2Na"	45.978436
"1403472"	137.686570666667	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H+2Na"	46.985712
"1432308"	413.086746	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H+HCOOH"	47.012746
"221636"	394.09624	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+3H2O+2H"	56.04448
"1512252"	427.13879	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+IsoProp+H"	61.06479
"410842"	397.050188	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+Na+K"	61.952376
"775123"	580.087188	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+Na+K"	61.952376
"1675830"	214.013188	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Na+K"	61.952376
"255792"	796.163768	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+ACN+Na"	64.015768
"1232875"	430.089768	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+ACN+Na"	64.015768
"1713378"	430.113293	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+NH4+HCOOH"	64.039293
"1179462"	145.013884666667	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+3Na"	68.967654
"1653726"	435.068688	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Na+HCOOH"	68.994688
"164963"	809.06704	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+2K-H"	76.91904
"599055"	1175.14104	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+2K-H"	76.91904
"1091224"	442.99304	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2K-H"	76.91904
"150228"	405.037158	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"2M+2K"	77.926316
"593069"	588.074158	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"3M+2K"	77.926316
"1076487"	222.000158	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2K"	77.926316
"1111887"	445.007592	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2K+H"	78.933592
"1347177"	445.095207	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+DMSO+H"	79.021207
"1016798"	449.134376	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2ACN+H"	83.060376
"1534927"	450.128008	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+IsoProp+Na+H"	84.054008
"1000282"	225.070826	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+2ACN+2H"	84.067652
"1596972"	451.042628	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+K+HCOOH"	84.968628
"1427006"	481.074138	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+H+CF3COOH"	115.000138
"1158389"	245.584101	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+3ACN+2H"	125.094202
"1706844"	498.100685	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+NH4+CF3COOH"	132.026685
"1638127"	503.05608	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+Na+CF3COOH"	136.98208
"1577057"	519.03002	"C12367"	"Tetracenomycin F1"	"C20H14O7"	"366.074"	"M+K+CF3COOH"	152.95602
"809615"	380.0532	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M"	0
"983147"	361.03481	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-H2O-H"	-19.01839
"69201"	252.361524	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M-3H"	-3.021828
"505845"	379.045924	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M-3H"	-3.021828
"881579"	125.677124	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-3H"	-3.021828
"5134"	379.045924	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M-2H"	-2.014552
"442513"	569.072524	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M-2H"	-2.014552
"820313"	189.019324	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-2H"	-2.014552
"79941"	759.099124	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M-H"	-1.007276
"520716"	1139.152324	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M-H"	-1.007276
"899126"	379.045924	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-H"	-1.007276
"56415"	776.125671	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M-2H+NH4"	16.019271
"493788"	1156.178871	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M-2H+NH4"	16.019271
"871590"	396.072471	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-2H+NH4"	16.019271
"36212"	781.081066	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M-2H+Na"	20.974666
"475775"	1161.134266	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M-2H+Na"	20.974666
"854672"	401.027866	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-2H+Na"	20.974666
"1622021"	401.027866	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Na-2H"	20.974666
"97816"	397.034263	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M-H+Cl"	33.962126
"538110"	587.060863	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M-H+Cl"	33.962126
"929802"	207.007663	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-H+Cl"	33.962126
"268845"	795.075802	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+Cl"	34.969402
"665885"	1175.129002	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+Cl"	34.969402
"1279386"	415.022602	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Cl"	34.969402
"24130"	797.055006	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M-2H+K"	36.948606
"469901"	1177.108206	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M-2H+K"	36.948606
"848356"	417.001806	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-2H+K"	36.948606
"1568633"	417.001806	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+K-2H"	36.948606
"957979"	425.051394	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-H+HCOOH"	44.998194
"373638"	805.104601	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+HCOOH-H"	44.998201
"361309"	819.120251	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+Hac-H"	59.013851
"1503800"	439.067051	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Hac-H"	59.013851
"966969"	447.033351	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-H+NaCOOH"	66.980151
"119156"	415.022602	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+2Cl"	69.938804
"558716"	605.049202	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+2Cl"	69.938804
"1029702"	224.996002	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2Cl"	69.938804
"1248548"	458.972085	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Br"	78.918885
"1310635"	461.028072	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Cl+HCOOH"	80.974872
"1325578"	483.010029	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Cl+NaCOOH"	102.956829
"916998"	493.038786	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M-H+CF3COOH"	112.985586
"1302104"	529.015464	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Cl+CF3COOH"	148.962264
"1376253"	345.040524	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H-2H2O"	-35.012676
"1393387"	363.0505	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H-H2O"	-17.0027
"294531"	761.113676	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+H"	1.007276
"686951"	1141.166876	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+H"	1.007276
"1366585"	381.060476	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H"	1.007276
"135829"	381.060476	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+2H"	2.014552
"570286"	571.087076	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+2H"	2.014552
"1042363"	191.033876	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2H"	2.014552
"211359"	254.376076	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+3H"	3.021828
"654203"	381.060476	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+3H"	3.021828
"1172330"	127.691676	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+3H"	3.021828
"435603"	778.140223	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+NH4"	18.033823
"797693"	1158.193423	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+NH4"	18.033823
"1691844"	398.087023	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+NH4"	18.033823
"340122"	389.5737495	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+H+NH4"	19.041099
"737280"	579.6003495	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+H+NH4"	19.041099
"1492396"	199.5471495	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H+NH4"	19.041099
"407224"	783.095618	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+Na"	22.989218
"769681"	1163.148818	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+Na"	22.989218
"1617053"	403.042418	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Na"	22.989218
"327450"	392.051447	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+H+Na"	23.996494
"717685"	582.078047	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+H+Na"	23.996494
"1472601"	202.024847	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H+Na"	23.996494
"1065844"	135.01899	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2H+Na"	25.00377
"1267525"	413.086686	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+CH3OH+H"	33.033486
"385006"	799.069558	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+K"	38.963158
"744906"	1179.122758	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+K"	38.963158
"1549148"	419.016358	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+K"	38.963158
"307417"	400.038417	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+H+K"	39.970434
"698747"	590.065017	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+H+K"	39.970434
"1451470"	210.011817	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H+K"	39.970434
"244449"	802.140226	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+ACN+H"	42.033826
"1218250"	422.087026	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+ACN+H"	42.033826
"1201038"	211.547151	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+ACN+2H"	43.041102
"189654"	805.07756	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+2Na-H"	44.97116
"636755"	1185.13076	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+2Na-H"	44.97116
"1142447"	425.02436	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2Na-H"	44.97116
"181365"	403.042418	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+2Na"	45.978436
"619833"	593.069018	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+2Na"	45.978436
"1120057"	213.015818	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2Na"	45.978436
"1406862"	142.346304	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H+2Na"	46.985712
"1432782"	427.065946	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H+HCOOH"	47.012746
"224298"	408.07544	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+3H2O+2H"	56.04448
"1513455"	441.11799	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+IsoProp+H"	61.06479
"413142"	411.029388	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+Na+K"	61.952376
"776326"	601.055988	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+Na+K"	61.952376
"1677033"	221.002788	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Na+K"	61.952376
"256995"	824.122168	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+ACN+Na"	64.015768
"1232985"	444.068968	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+ACN+Na"	64.015768
"1714216"	444.092493	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+NH4+HCOOH"	64.039293
"1181029"	149.673618	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+3Na"	68.967654
"1656021"	449.047888	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Na+HCOOH"	68.994688
"165073"	837.02544	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+2K-H"	76.91904
"603537"	1217.07864	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+2K-H"	76.91904
"1093520"	456.97224	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2K-H"	76.91904
"151431"	419.016358	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"2M+2K"	77.926316
"593181"	609.042958	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"3M+2K"	77.926316
"1080972"	228.989758	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2K"	77.926316
"1114793"	458.986792	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2K+H"	78.933592
"1348260"	459.074407	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+DMSO+H"	79.021207
"1016908"	463.113576	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2ACN+H"	83.060376
"1533943"	464.107208	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+IsoProp+Na+H"	84.054008
"1004403"	232.060426	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+2ACN+2H"	84.067652
"1601456"	465.021828	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+K+HCOOH"	84.968628
"1428209"	495.053338	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+H+CF3COOH"	115.000138
"1161779"	252.573701	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+3ACN+2H"	125.094202
"1708048"	512.079885	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+NH4+CF3COOH"	132.026685
"1645892"	517.03528	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+Na+CF3COOH"	136.98208
"1582635"	533.00922	"C12368"	"Tetracenomycin D3"	"C20H12O8"	"380.0532"	"M+K+CF3COOH"	152.95602
"809722"	394.0689	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M"	0
"981070"	375.05051	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-H2O-H"	-19.01839
"67124"	261.705324	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M-3H"	-3.021828
"508873"	393.061624	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M-3H"	-3.021828
"880229"	130.349024	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-3H"	-3.021828
"5"	393.061624	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M-2H"	-2.014552
"440267"	590.096074	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M-2H"	-2.014552
"819329"	196.027174	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-2H"	-2.014552
"78793"	787.130524	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M-H"	-1.007276
"518713"	1181.199424	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M-H"	-1.007276
"896033"	393.061624	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-H"	-1.007276
"51058"	804.157071	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M-2H+NH4"	16.019271
"493899"	1198.225971	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M-2H+NH4"	16.019271
"866962"	410.088171	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-2H+NH4"	16.019271
"37415"	809.112466	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M-2H+Na"	20.974666
"474426"	1203.181366	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M-2H+Na"	20.974666
"852958"	415.043566	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-2H+Na"	20.974666
"1622131"	415.043566	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Na-2H"	20.974666
"97563"	411.049963	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M-H+Cl"	33.962126
"538218"	608.084413	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M-H+Cl"	33.962126
"929546"	214.015513	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-H+Cl"	33.962126
"270293"	823.107202	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+Cl"	34.969402
"665996"	1217.176102	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+Cl"	34.969402
"1284965"	429.038302	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Cl"	34.969402
"24240"	825.086406	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M-2H+K"	36.948606
"468905"	1219.155306	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M-2H+K"	36.948606
"848441"	431.017506	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-2H+K"	36.948606
"1570855"	431.017506	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+K-2H"	36.948606
"957926"	439.067094	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-H+HCOOH"	44.998194
"376630"	833.136001	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+HCOOH-H"	44.998201
"360919"	847.151651	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+Hac-H"	59.013851
"1504642"	453.082751	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Hac-H"	59.013851
"971454"	461.049051	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-H+NaCOOH"	66.980151
"122182"	429.038302	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+2Cl"	69.938804
"562472"	626.072752	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+2Cl"	69.938804
"1029813"	232.003852	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2Cl"	69.938804
"1249388"	472.987785	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Br"	78.918885
"1310743"	475.043772	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Cl+HCOOH"	80.974872
"1327146"	497.025729	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Cl+NaCOOH"	102.956829
"917473"	507.054486	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M-H+CF3COOH"	112.985586
"1303674"	543.031164	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Cl+CF3COOH"	148.962264
"1377458"	359.056224	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H-2H2O"	-35.012676
"1398242"	377.0662	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H-H2O"	-17.0027
"298171"	789.145076	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+H"	1.007276
"690344"	1183.213976	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+H"	1.007276
"1366331"	395.076176	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H"	1.007276
"136303"	395.076176	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+2H"	2.014552
"571489"	592.110626	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+2H"	2.014552
"1043569"	198.041726	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2H"	2.014552
"210377"	263.719876	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+3H"	3.021828
"649939"	395.076176	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+3H"	3.021828
"1174628"	132.363576	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+3H"	3.021828
"435349"	806.171623	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+NH4"	18.033823
"799265"	1200.240523	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+NH4"	18.033823
"1691954"	412.102723	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+NH4"	18.033823
"341326"	403.5894495	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+H+NH4"	19.041099
"737751"	600.6238995	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+H+NH4"	19.041099
"1491936"	206.5549995	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H+NH4"	19.041099
"407336"	811.127018	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+Na"	22.989218
"769181"	1205.195918	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+Na"	22.989218
"1618213"	417.058118	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Na"	22.989218
"325375"	406.067147	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+H+Na"	23.996494
"717795"	603.101597	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+H+Na"	23.996494
"1473803"	209.032697	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H+Na"	23.996494
"1062673"	139.69089	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2H+Na"	25.00377
"1259981"	427.102386	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+CH3OH+H"	33.033486
"387304"	827.100958	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+K"	38.963158
"747204"	1221.169858	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+K"	38.963158
"1550351"	433.032058	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+K"	38.963158
"307529"	414.054117	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+H+K"	39.970434
"698857"	611.088567	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+H+K"	39.970434
"1457049"	217.019667	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H+K"	39.970434
"244558"	830.171626	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+ACN+H"	42.033826
"1217267"	436.102726	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+ACN+H"	42.033826
"1201149"	218.555001	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+ACN+2H"	43.041102
"195113"	833.10896	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+2Na-H"	44.97116
"633581"	1227.17786	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+2Na-H"	44.97116
"1141464"	439.04006	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2Na-H"	44.97116
"183662"	417.058118	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+2Na"	45.978436
"622129"	614.092568	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+2Na"	45.978436
"1127822"	220.023668	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2Na"	45.978436
"1408064"	147.018204	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H+2Na"	46.985712
"1441275"	441.081646	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H+HCOOH"	47.012746
"224773"	422.09114	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+3H2O+2H"	56.04448
"1514659"	455.13369	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+IsoProp+H"	61.06479
"416532"	425.045088	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+Na+K"	61.952376
"777530"	622.079538	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+Na+K"	61.952376
"1677143"	228.010638	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Na+K"	61.952376
"254915"	852.153568	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+ACN+Na"	64.015768
"1230903"	458.084668	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+ACN+Na"	64.015768
"1714326"	458.108193	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+NH4+HCOOH"	64.039293
"1181866"	154.345518	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+3Na"	68.967654
"1652852"	463.063588	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Na+HCOOH"	68.994688
"161900"	865.05684	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+2K-H"	76.91904
"603649"	1259.12574	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+2K-H"	76.91904
"1087430"	470.98794	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2K-H"	76.91904
"150446"	433.032058	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"2M+2K"	77.926316
"592196"	630.066508	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"3M+2K"	77.926316
"1078896"	235.997608	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2K"	77.926316
"1115024"	473.002492	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2K+H"	78.933592
"1348370"	473.090107	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+DMSO+H"	79.021207
"1015925"	477.129276	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2ACN+H"	83.060376
"1537334"	478.122908	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+IsoProp+Na+H"	84.054008
"1000502"	239.068276	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+2ACN+2H"	84.067652
"1593910"	479.037528	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+K+HCOOH"	84.968628
"1426132"	509.069038	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+H+CF3COOH"	115.000138
"1160795"	259.581551	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+3ACN+2H"	125.094202
"1704878"	526.095585	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+NH4+CF3COOH"	132.026685
"1644909"	531.05098	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+Na+CF3COOH"	136.98208
"1582745"	547.02492	"C12369"	"Tetracenomycin B3"	"C21H14O8"	"394.0689"	"M+K+CF3COOH"	152.95602
"809832"	408.0845	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M"	0
"978993"	389.06611	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-H2O-H"	-19.01839
"62985"	271.049057333333	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M-3H"	-3.021828
"502967"	407.077224	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M-3H"	-3.021828
"880106"	135.020890666667	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-3H"	-3.021828
"95"	407.077224	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M-2H"	-2.014552
"440297"	611.119474	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M-2H"	-2.014552
"818346"	203.034974	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-2H"	-2.014552
"78658"	815.161724	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M-H"	-1.007276
"518867"	1223.246224	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M-H"	-1.007276
"896308"	407.077224	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-H"	-1.007276
"50075"	832.188271	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M-2H+NH4"	16.019271
"488543"	1240.272771	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M-2H+NH4"	16.019271
"866345"	424.103771	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-2H+NH4"	16.019271
"36433"	837.143666	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M-2H+Na"	20.974666
"479274"	1245.228166	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M-2H+Na"	20.974666
"858171"	429.059166	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-2H+Na"	20.974666
"1621147"	429.059166	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Na-2H"	20.974666
"96580"	425.065563	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M-H+Cl"	33.962126
"538327"	629.107813	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M-H+Cl"	33.962126
"928199"	221.023313	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-H+Cl"	33.962126
"270403"	851.138402	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+Cl"	34.969402
"667199"	1259.222902	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+Cl"	34.969402
"1283982"	443.053902	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Cl"	34.969402
"26536"	853.117606	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M-2H+K"	36.948606
"469379"	1261.202106	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M-2H+K"	36.948606
"848205"	445.033106	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-2H+K"	36.948606
"1570920"	445.033106	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+K-2H"	36.948606
"958387"	453.082694	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-H+HCOOH"	44.998194
"376290"	861.167201	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+HCOOH-H"	44.998201
"361329"	875.182851	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+Hac-H"	59.013851
"1502928"	467.098351	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Hac-H"	59.013851
"972293"	475.064651	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-H+NaCOOH"	66.980151
"121564"	443.053902	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+2Cl"	69.938804
"560031"	647.096152	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+2Cl"	69.938804
"1029923"	239.011652	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2Cl"	69.938804
"1249862"	487.003385	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Br"	78.918885
"1310853"	489.059372	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Cl+HCOOH"	80.974872
"1326163"	511.041329	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Cl+NaCOOH"	102.956829
"916854"	521.070086	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M-H+CF3COOH"	112.985586
"1302686"	557.046764	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Cl+CF3COOH"	148.962264
"1377568"	373.071824	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H-2H2O"	-35.012676
"1397985"	391.0818	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H-H2O"	-17.0027
"298034"	817.176276	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+H"	1.007276
"684985"	1225.260776	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+H"	1.007276
"1366319"	409.091776	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H"	1.007276
"135320"	409.091776	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+2H"	2.014552
"573787"	613.134026	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+2H"	2.014552
"1040399"	205.049526	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2H"	2.014552
"212674"	273.063609333333	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+3H"	3.021828
"650049"	409.091776	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+3H"	3.021828
"1173645"	137.035442666667	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+3H"	3.021828
"434730"	834.202823	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+NH4"	18.033823
"799009"	1242.287323	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+NH4"	18.033823
"1692064"	426.118323	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+NH4"	18.033823
"341436"	417.6050495	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+H+NH4"	19.041099
"734947"	621.6472995	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+H+NH4"	19.041099
"1490589"	213.5627995	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H+NH4"	19.041099
"405261"	839.158218	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+Na"	22.989218
"768441"	1247.242718	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+Na"	22.989218
"1615446"	431.073718	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Na"	22.989218
"322204"	420.082747	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+H+Na"	23.996494
"714625"	624.124997	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+H+Na"	23.996494
"1472819"	216.040497	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H+Na"	23.996494
"1062783"	144.362756666667	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2H+Na"	25.00377
"1261184"	441.117986	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+CH3OH+H"	33.033486
"385227"	855.132158	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+K"	38.963158
"744034"	1263.216658	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+K"	38.963158
"1548274"	447.047658	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+K"	38.963158
"309826"	428.069717	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+H+K"	39.970434
"698967"	632.111967	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+H+K"	39.970434
"1456065"	224.027467	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H+K"	39.970434
"244668"	858.202826	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+ACN+H"	42.033826
"1216282"	450.118326	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+ACN+H"	42.033826
"1197978"	225.562801	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+ACN+2H"	43.041102
"195223"	861.14016	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+2Na-H"	44.97116
"634785"	1269.22466	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+2Na-H"	44.97116
"1140481"	453.05566	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2Na-H"	44.97116
"182679"	431.073718	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+2Na"	45.978436
"618960"	635.115968	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+2Na"	45.978436
"1126839"	227.031468	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2Na"	45.978436
"1408174"	151.690070666667	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H+2Na"	46.985712
"1439198"	455.097246	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H+HCOOH"	47.012746
"224883"	436.10674	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+3H2O+2H"	56.04448
"1519143"	469.14929	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+IsoProp+H"	61.06479
"416642"	439.060688	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+Na+K"	61.952376
"775817"	643.102938	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+Na+K"	61.952376
"1676159"	235.018438	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Na+K"	61.952376
"255388"	880.184768	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+ACN+Na"	64.015768
"1230282"	472.100268	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+ACN+Na"	64.015768
"1714437"	472.123793	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+NH4+HCOOH"	64.039293
"1180518"	159.017384666667	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+3Na"	68.967654
"1653690"	477.079188	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Na+HCOOH"	68.994688
"162010"	893.08804	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+2K-H"	76.91904
"601573"	1301.17254	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+2K-H"	76.91904
"1086811"	485.00354	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2K-H"	76.91904
"150556"	447.047658	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"2M+2K"	77.926316
"592306"	651.089908	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"3M+2K"	77.926316
"1081192"	243.005408	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2K"	77.926316
"1114404"	487.018092	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2K+H"	78.933592
"1347508"	487.105707	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+DMSO+H"	79.021207
"1016035"	491.144876	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2ACN+H"	83.060376
"1537444"	492.138508	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+IsoProp+Na+H"	84.054008
"1000611"	246.076076	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+2ACN+2H"	84.067652
"1594020"	493.053128	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+K+HCOOH"	84.968628
"1426242"	523.084638	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+H+CF3COOH"	115.000138
"1162721"	266.589351	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+3ACN+2H"	125.094202
"1704988"	540.111185	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+NH4+CF3COOH"	132.026685
"1646112"	545.06658	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+Na+CF3COOH"	136.98208
"1577387"	561.04052	"C12370"	"Tetracenomycin E"	"C22H16O8"	"408.0845"	"M+K+CF3COOH"	152.95602
"809942"	422.1002	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M"	0
"978011"	403.08181	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-H2O-H"	-19.01839
"66251"	280.392857333333	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M-3H"	-3.021828
"503989"	421.092924	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M-3H"	-3.021828
"880205"	139.692790666667	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-3H"	-3.021828
"402"	421.092924	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M-2H"	-2.014552
"440568"	632.143024	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M-2H"	-2.014552
"819549"	210.042824	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-2H"	-2.014552
"79545"	843.193124	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M-H"	-1.007276
"519342"	1265.293324	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M-H"	-1.007276
"896540"	421.092924	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-H"	-1.007276
"49696"	860.219671	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M-2H+NH4"	16.019271
"490104"	1282.319871	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M-2H+NH4"	16.019271
"866456"	438.119471	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-2H+NH4"	16.019271
"36543"	865.175066	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M-2H+Na"	20.974666
"482664"	1287.275266	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M-2H+Na"	20.974666
"858279"	443.074866	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-2H+Na"	20.974666
"1620164"	443.074866	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Na-2H"	20.974666
"95597"	439.081263	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M-H+Cl"	33.962126
"537344"	650.131363	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M-H+Cl"	33.962126
"929768"	228.031163	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-H+Cl"	33.962126
"273794"	879.169802	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+Cl"	34.969402
"667311"	1301.270002	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+Cl"	34.969402
"1284092"	457.069602	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Cl"	34.969402
"28472"	881.149006	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M-2H+K"	36.948606
"470956"	1303.249206	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M-2H+K"	36.948606
"847183"	459.048806	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-2H+K"	36.948606
"1569694"	459.048806	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+K-2H"	36.948606
"957214"	467.098394	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-H+HCOOH"	44.998194
"375793"	889.198601	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+HCOOH-H"	44.998201
"360770"	903.214251	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+Hac-H"	59.013851
"1506686"	481.114051	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Hac-H"	59.013851
"972404"	489.080351	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-H+NaCOOH"	66.980151
"123868"	457.069602	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+2Cl"	69.938804
"560871"	668.119702	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+2Cl"	69.938804
"1031493"	246.019502	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2Cl"	69.938804
"1247058"	501.019085	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Br"	78.918885
"1310964"	503.075072	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Cl+HCOOH"	80.974872
"1324815"	525.057029	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Cl+NaCOOH"	102.956829
"916601"	535.085786	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M-H+CF3COOH"	112.985586
"1303733"	571.062464	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Cl+CF3COOH"	148.962264
"1377678"	387.087524	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H-2H2O"	-35.012676
"1397491"	405.0975	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H-H2O"	-17.0027
"298145"	845.207676	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+H"	1.007276
"685095"	1267.307876	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+H"	1.007276
"1365460"	423.107476	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H"	1.007276
"138347"	423.107476	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+2H"	2.014552
"573895"	634.157576	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+2H"	2.014552
"1045976"	212.057376	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2H"	2.014552
"214971"	282.407409333333	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+3H"	3.021828
"652346"	423.107476	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+3H"	3.021828
"1174848"	141.707342666667	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+3H"	3.021828
"437395"	862.234223	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+NH4"	18.033823
"799120"	1284.334423	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+NH4"	18.033823
"1693630"	440.134023	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+NH4"	18.033823
"341545"	431.6207495	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+H+NH4"	19.041099
"735058"	642.6708495	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+H+NH4"	19.041099
"1489606"	220.5706495	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H+NH4"	19.041099
"404277"	867.189618	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+Na"	22.989218
"768187"	1289.289818	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+Na"	22.989218
"1613368"	445.089418	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Na"	22.989218
"324502"	434.098447	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+H+Na"	23.996494
"715829"	645.148547	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+H+Na"	23.996494
"1472929"	223.048347	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H+Na"	23.996494
"1066173"	149.034656666667	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2H+Na"	25.00377
"1261294"	455.133686	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+CH3OH+H"	33.033486
"383150"	883.163558	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+K"	38.963158
"745237"	1305.263758	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+K"	38.963158
"1546197"	461.063358	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+K"	38.963158
"309936"	442.085417	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+H+K"	39.970434
"701263"	653.135517	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+H+K"	39.970434
"1456175"	231.035317	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H+K"	39.970434
"243685"	886.234226	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+ACN+H"	42.033826
"1217487"	464.134026	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+ACN+H"	42.033826
"1200275"	232.570651	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+ACN+2H"	43.041102
"195333"	889.17156	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+2Na-H"	44.97116
"632708"	1311.27176	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+2Na-H"	44.97116
"1139498"	467.07136	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2Na-H"	44.97116
"182424"	445.089418	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+2Na"	45.978436
"621257"	656.139518	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+2Na"	45.978436
"1126952"	234.039318	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2Na"	45.978436
"1410108"	156.361970666667	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H+2Na"	46.985712
"1442591"	469.112946	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H+HCOOH"	47.012746
"225722"	450.12244	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+3H2O+2H"	56.04448
"1521078"	483.16499	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+IsoProp+H"	61.06479
"418576"	453.076388	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+Na+K"	61.952376
"775563"	664.126488	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+Na+K"	61.952376
"1676634"	242.026288	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Na+K"	61.952376
"257322"	908.216168	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+ACN+Na"	64.015768
"1230029"	486.115968	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+ACN+Na"	64.015768
"1717827"	486.139493	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+NH4+HCOOH"	64.039293
"1183181"	163.689284666667	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+3Na"	68.967654
"1656354"	491.094888	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Na+HCOOH"	68.994688
"161027"	921.11944	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+2K-H"	76.91904
"601682"	1343.21964	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+2K-H"	76.91904
"1089475"	499.01924	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2K-H"	76.91904
"147386"	461.063358	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"2M+2K"	77.926316
"591321"	672.113458	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"3M+2K"	77.926316
"1081302"	250.013258	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2K"	77.926316
"1113178"	501.033792	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2K+H"	78.933592
"1349805"	501.121407	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+DMSO+H"	79.021207
"1015051"	505.160576	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2ACN+H"	83.060376
"1529898"	506.154208	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+IsoProp+Na+H"	84.054008
"997440"	253.083926	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+2ACN+2H"	84.067652
"1595223"	507.068828	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+K+HCOOH"	84.968628
"1426352"	537.100338	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+H+CF3COOH"	115.000138
"1162109"	273.597201	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+3ACN+2H"	125.094202
"1704003"	554.126885	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+NH4+CF3COOH"	132.026685
"1648410"	559.08228	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+Na+CF3COOH"	136.98208
"1582965"	575.05622	"C12371"	"Tetracenomycin A2"	"C23H18O8"	"422.1002"	"M+K+CF3COOH"	152.95602
"812239"	356.0896	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M"	0
"979213"	337.07121	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-H2O-H"	-19.01839
"64538"	236.385790666667	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M-3H"	-3.021828
"504099"	355.082324	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M-3H"	-3.021828
"883357"	117.689257333333	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-3H"	-3.021828
"467"	355.082324	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M-2H"	-2.014552
"441369"	533.127124	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M-2H"	-2.014552
"819050"	177.037524	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-2H"	-2.014552
"79003"	711.171924	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M-H"	-1.007276
"520666"	1067.261524	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M-H"	-1.007276
"898107"	355.082324	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-H"	-1.007276
"50657"	728.198471	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M-2H+NH4"	16.019271
"490948"	1084.288071	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M-2H+NH4"	16.019271
"868753"	372.108871	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-2H+NH4"	16.019271
"33738"	733.153866	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M-2H+Na"	20.974666
"480587"	1089.243466	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M-2H+Na"	20.974666
"859483"	377.064266	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-2H+Na"	20.974666
"1619302"	377.064266	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Na-2H"	20.974666
"95706"	373.070663	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M-H+Cl"	33.962126
"535268"	551.115463	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M-H+Cl"	33.962126
"928049"	195.025863	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-H+Cl"	33.962126
"274997"	747.148602	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+Cl"	34.969402
"669607"	1103.238202	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+Cl"	34.969402
"1283472"	391.059002	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Cl"	34.969402
"29919"	749.127806	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M-2H+K"	36.948606
"470460"	1105.217406	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M-2H+K"	36.948606
"846928"	393.038206	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-2H+K"	36.948606
"1569322"	393.038206	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+K-2H"	36.948606
"958057"	401.087794	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-H+HCOOH"	44.998194
"376151"	757.177401	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+HCOOH-H"	44.998201
"360034"	771.193051	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+Hac-H"	59.013851
"1507530"	415.103451	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Hac-H"	59.013851
"970692"	423.069751	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-H+NaCOOH"	66.980151
"124221"	391.059002	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+2Cl"	69.938804
"560251"	569.103802	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+2Cl"	69.938804
"1027956"	213.014202	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2Cl"	69.938804
"1247168"	435.008485	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Br"	78.918885
"1311073"	437.064472	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Cl+HCOOH"	80.974872
"1325290"	459.046429	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Cl+NaCOOH"	102.956829
"916346"	469.075186	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M-H+CF3COOH"	112.985586
"1304163"	505.051864	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Cl+CF3COOH"	148.962264
"1377783"	321.076924	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H-2H2O"	-35.012676
"1396379"	339.0869	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H-H2O"	-17.0027
"292784"	713.186476	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+H"	1.007276
"685205"	1069.276076	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+H"	1.007276
"1366497"	357.096876	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H"	1.007276
"139915"	357.096876	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+2H"	2.014552
"574005"	535.141676	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+2H"	2.014552
"1043895"	179.052076	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2H"	2.014552
"210702"	238.400342666667	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+3H"	3.021828
"652456"	357.096876	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+3H"	3.021828
"1172770"	119.703809333333	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+3H"	3.021828
"438962"	730.213023	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+NH4"	18.033823
"797039"	1086.302623	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+NH4"	18.033823
"1696613"	374.123423	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+NH4"	18.033823
"343839"	365.6101495	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+H+NH4"	19.041099
"736256"	543.6549495	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+H+NH4"	19.041099
"1488985"	187.5653495	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H+NH4"	19.041099
"407914"	735.168418	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+Na"	22.989218
"769437"	1091.258018	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+Na"	22.989218
"1617734"	379.078818	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Na"	22.989218
"328742"	368.087847	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+H+Na"	23.996494
"717033"	546.132647	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+H+Na"	23.996494
"1475225"	190.043047	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H+Na"	23.996494
"1066284"	127.031123333333	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2H+Na"	25.00377
"1261404"	389.123086	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+CH3OH+H"	33.033486
"384352"	751.142358	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+K"	38.963158
"742068"	1107.231958	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+K"	38.963158
"1548493"	395.052758	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+K"	38.963158
"307859"	376.074817	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+H+K"	39.970434
"699186"	554.119617	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+H+K"	39.970434
"1456287"	198.030017	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H+K"	39.970434
"245983"	754.213026	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+ACN+H"	42.033826
"1219784"	398.123426	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+ACN+H"	42.033826
"1200386"	199.565351	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+ACN+2H"	43.041102
"192163"	757.15036	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+2Na-H"	44.97116
"630631"	1113.23996	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+2Na-H"	44.97116
"1139607"	401.06076	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2Na-H"	44.97116
"183991"	379.078818	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+2Na"	45.978436
"623552"	557.123618	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+2Na"	45.978436
"1127059"	201.034018	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2Na"	45.978436
"1409487"	134.358437333333	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H+2Na"	46.985712
"1439416"	403.102346	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H+HCOOH"	47.012746
"223645"	384.11184	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+3H2O+2H"	56.04448
"1519000"	417.15439	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+IsoProp+H"	61.06479
"414675"	387.065788	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+Na+K"	61.952376
"775673"	565.110588	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+Na+K"	61.952376
"1675286"	209.020988	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Na+K"	61.952376
"258525"	776.194968	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+ACN+Na"	64.015768
"1227951"	420.105368	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+ACN+Na"	64.015768
"1716844"	420.128893	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+NH4+HCOOH"	64.039293
"1184384"	141.685751333333	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+3Na"	68.967654
"1656464"	425.084288	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Na+HCOOH"	68.994688
"161137"	789.09824	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+2K-H"	76.91904
"601792"	1145.18784	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+2K-H"	76.91904
"1090678"	433.00864	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2K-H"	76.91904
"147496"	395.052758	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"2M+2K"	77.926316
"589245"	573.097558	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"3M+2K"	77.926316
"1079225"	217.007958	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2K"	77.926316
"1110250"	435.023192	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2K+H"	78.933592
"1345539"	435.110807	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+DMSO+H"	79.021207
"1010788"	439.149976	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2ACN+H"	83.060376
"1532194"	440.143608	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+IsoProp+Na+H"	84.054008
"995362"	220.078626	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+2ACN+2H"	84.067652
"1592053"	441.058228	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+K+HCOOH"	84.968628
"1423180"	471.089738	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+H+CF3COOH"	115.000138
"1154563"	240.591901	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+3ACN+2H"	125.094202
"1700832"	488.116285	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+NH4+CF3COOH"	132.026685
"1646333"	493.07168	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+Na+CF3COOH"	136.98208
"1583075"	509.04562	"C12372"	"Tetracenomycin M"	"C19H16O7"	"356.0896"	"M+K+CF3COOH"	152.95602
"810162"	380.0896	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M"	0
"979324"	361.07121	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-H2O-H"	-19.01839
"64284"	252.385790666667	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M-3H"	-3.021828
"504209"	379.082324	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M-3H"	-3.021828
"884926"	125.689257333333	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-3H"	-3.021828
"48"	379.082324	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M-2H"	-2.014552
"440993"	569.127124	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M-2H"	-2.014552
"819038"	189.037524	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-2H"	-2.014552
"80006"	759.171924	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M-H"	-1.007276
"520412"	1139.261524	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M-H"	-1.007276
"897485"	379.082324	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-H"	-1.007276
"49673"	776.198471	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M-2H+NH4"	16.019271
"490326"	1156.288071	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M-2H+NH4"	16.019271
"868863"	396.108871	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-2H+NH4"	16.019271
"33481"	781.153866	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M-2H+Na"	20.974666
"479604"	1161.243466	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M-2H+Na"	20.974666
"859593"	401.064266	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-2H+Na"	20.974666
"1619654"	401.064266	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Na-2H"	20.974666
"94724"	397.070663	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M-H+Cl"	33.962126
"534927"	587.115463	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M-H+Cl"	33.962126
"928279"	207.025863	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-H+Cl"	33.962126
"269761"	795.148602	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+Cl"	34.969402
"668624"	1175.238202	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+Cl"	34.969402
"1284310"	415.059002	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Cl"	34.969402
"30513"	797.127806	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M-2H+K"	36.948606
"470690"	1177.217406	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M-2H+K"	36.948606
"846795"	417.038206	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-2H+K"	36.948606
"1570281"	417.038206	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+K-2H"	36.948606
"957437"	425.087794	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-H+HCOOH"	44.998194
"376017"	805.177401	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+HCOOH-H"	44.998201
"360873"	819.193051	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+Hac-H"	59.013851
"1507514"	439.103451	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Hac-H"	59.013851
"970802"	447.069751	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-H+NaCOOH"	66.980151
"125179"	415.059002	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+2Cl"	69.938804
"562184"	605.103802	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+2Cl"	69.938804
"1028066"	225.014202	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2Cl"	69.938804
"1247643"	459.008485	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Br"	78.918885
"1310090"	461.064472	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Cl+HCOOH"	80.974872
"1326492"	483.046429	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Cl+NaCOOH"	102.956829
"915727"	493.075186	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M-H+CF3COOH"	112.985586
"1303750"	529.051864	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Cl+CF3COOH"	148.962264
"1374614"	345.076924	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H-2H2O"	-35.012676
"1396489"	363.0869	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H-H2O"	-17.0027
"292894"	761.186476	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+H"	1.007276
"685315"	1141.276076	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+H"	1.007276
"1361664"	381.096876	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H"	1.007276
"140754"	381.096876	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+2H"	2.014552
"571928"	571.141676	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+2H"	2.014552
"1041819"	191.052076	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2H"	2.014552
"207533"	254.400342666667	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+3H"	3.021828
"652566"	381.096876	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+3H"	3.021828
"1176160"	127.703809333333	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+3H"	3.021828
"437615"	778.213023	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+NH4"	18.033823
"796056"	1158.302623	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+NH4"	18.033823
"1693481"	398.123423	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+NH4"	18.033823
"340306"	389.6101495	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+H+NH4"	19.041099
"735273"	579.6549495	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+H+NH4"	19.041099
"1488733"	199.5653495	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H+NH4"	19.041099
"404494"	783.168418	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+Na"	22.989218
"767675"	1163.258018	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+Na"	22.989218
"1618276"	403.078818	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Na"	22.989218
"326908"	392.087847	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+H+Na"	23.996494
"716050"	582.132647	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+H+Na"	23.996494
"1474243"	202.043047	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H+Na"	23.996494
"1063113"	135.031123333333	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2H+Na"	25.00377
"1264794"	413.123086	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+CH3OH+H"	33.033486
"384463"	799.142358	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+K"	38.963158
"747646"	1179.231958	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+K"	38.963158
"1548604"	419.052758	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+K"	38.963158
"309062"	400.074817	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+H+K"	39.970434
"700390"	590.119617	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+H+K"	39.970434
"1454208"	210.030017	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H+K"	39.970434
"241716"	802.213026	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+ACN+H"	42.033826
"1219894"	422.123426	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+ACN+H"	42.033826
"1199403"	211.565351	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+ACN+2H"	43.041102
"192273"	805.15036	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+2Na-H"	44.97116
"630376"	1185.23996	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+2Na-H"	44.97116
"1139717"	425.06076	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2Na-H"	44.97116
"181915"	403.078818	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+2Na"	45.978436
"623662"	593.123618	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+2Na"	45.978436
"1126439"	213.034018	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2Na"	45.978436
"1412151"	142.358437333333	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H+2Na"	46.985712
"1439525"	427.102346	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H+HCOOH"	47.012746
"227036"	408.11184	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+3H2O+2H"	56.04448
"1516193"	441.15439	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+IsoProp+H"	61.06479
"411869"	411.065788	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+Na+K"	61.952376
"773596"	601.110588	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+Na+K"	61.952376
"1676124"	221.020988	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Na+K"	61.952376
"257541"	824.194968	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+ACN+Na"	64.015768
"1227333"	444.105368	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+ACN+Na"	64.015768
"1716954"	444.128893	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+NH4+HCOOH"	64.039293
"1184495"	149.685751333333	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+3Na"	68.967654
"1655481"	449.084288	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Na+HCOOH"	68.994688
"161247"	837.09824	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+2K-H"	76.91904
"600809"	1217.18784	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+2K-H"	76.91904
"1091881"	457.00864	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2K-H"	76.91904
"148699"	419.052758	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"2M+2K"	77.926316
"589355"	609.097558	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"3M+2K"	77.926316
"1077149"	229.007958	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2K"	77.926316
"1109266"	459.023192	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2K+H"	78.933592
"1344556"	459.110807	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+DMSO+H"	79.021207
"1010898"	463.149976	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2ACN+H"	83.060376
"1526106"	464.143608	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+IsoProp+Na+H"	84.054008
"995472"	232.078626	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+2ACN+2H"	84.067652
"1593256"	465.058228	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+K+HCOOH"	84.968628
"1423290"	495.089738	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+H+CF3COOH"	115.000138
"1154673"	252.591901	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+3ACN+2H"	125.094202
"1700942"	512.116285	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+NH4+CF3COOH"	132.026685
"1646443"	517.07168	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+Na+CF3COOH"	136.98208
"1583185"	533.04562	"C12373"	"Tetracenomycin F1 methylester"	"C21H16O7"	"380.0896"	"M+K+CF3COOH"	152.95602
"813552"	322.0841	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M"	0
"977247"	303.06571	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-H2O-H"	-19.01839
"63666"	213.715457333333	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M-3H"	-3.021828
"503226"	321.076824	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M-3H"	-3.021828
"885036"	106.354090666667	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-3H"	-3.021828
"287"	321.076824	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M-2H"	-2.014552
"442076"	482.118874	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M-2H"	-2.014552
"819148"	160.034774	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-2H"	-2.014552
"79381"	643.160924	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M-H"	-1.007276
"520523"	965.245024	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M-H"	-1.007276
"897596"	321.076824	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-H"	-1.007276
"50149"	660.187471	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M-2H+NH4"	16.019271
"489709"	982.271571	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M-2H+NH4"	16.019271
"868973"	338.103371	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-2H+NH4"	16.019271
"33593"	665.142866	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M-2H+Na"	20.974666
"479714"	987.226966	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M-2H+Na"	20.974666
"859703"	343.058766	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-2H+Na"	20.974666
"1620492"	343.058766	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Na-2H"	20.974666
"96049"	339.065163	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M-H+Cl"	33.962126
"534320"	500.107213	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M-H+Cl"	33.962126
"930095"	178.023113	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-H+Cl"	33.962126
"269750"	679.137602	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+Cl"	34.969402
"667641"	1001.221702	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+Cl"	34.969402
"1284420"	357.053502	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Cl"	34.969402
"30866"	681.116806	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M-2H+K"	36.948606
"471039"	1003.200906	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M-2H+K"	36.948606
"848124"	359.032706	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-2H+K"	36.948606
"1571095"	359.032706	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+K-2H"	36.948606
"957908"	367.082294	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-H+HCOOH"	44.998194
"377072"	689.166401	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+HCOOH-H"	44.998201
"359642"	703.182051	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+Hac-H"	59.013851
"1504829"	381.097951	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Hac-H"	59.013851
"970912"	389.064251	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-H+NaCOOH"	66.980151
"124923"	357.053502	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+2Cl"	69.938804
"561201"	518.095552	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+2Cl"	69.938804
"1025990"	196.011452	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2Cl"	69.938804
"1247753"	401.002985	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Br"	78.918885
"1311294"	403.058972	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Cl+HCOOH"	80.974872
"1326603"	425.040929	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Cl+NaCOOH"	102.956829
"917660"	435.069686	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M-H+CF3COOH"	112.985586
"1303128"	471.046364	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Cl+CF3COOH"	148.962264
"1374724"	287.071424	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H-2H2O"	-35.012676
"1397451"	305.0814	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H-H2O"	-17.0027
"295191"	645.175476	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+H"	1.007276
"685425"	967.259576	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+H"	1.007276
"1361410"	323.091376	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H"	1.007276
"135760"	323.091376	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+2H"	2.014552
"570946"	484.133426	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+2H"	2.014552
"1038649"	162.049326	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2H"	2.014552
"207642"	215.730009333333	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+3H"	3.021828
"652676"	323.091376	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+3H"	3.021828
"1171898"	108.368642666667	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+3H"	3.021828
"437359"	662.202023	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+NH4"	18.033823
"793980"	984.286123	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+NH4"	18.033823
"1693591"	340.117923	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+NH4"	18.033823
"341509"	331.6046495	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+H+NH4"	19.041099
"733197"	492.6466995	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+H+NH4"	19.041099
"1489936"	170.5625995	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H+NH4"	19.041099
"405699"	667.157418	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+Na"	22.989218
"764506"	989.241518	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+Na"	22.989218
"1616978"	345.073318	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Na"	22.989218
"327019"	334.082347	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+H+Na"	23.996494
"719439"	495.124397	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+H+Na"	23.996494
"1476298"	173.040297	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H+Na"	23.996494
"1063223"	115.695956666667	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2H+Na"	25.00377
"1267091"	355.117586	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+CH3OH+H"	33.033486
"387854"	683.131358	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+K"	38.963158
"749943"	1005.215458	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+K"	38.963158
"1548714"	361.047258	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+K"	38.963158
"309173"	342.069317	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+H+K"	39.970434
"702687"	503.111367	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+H+K"	39.970434
"1454318"	181.027267	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H+K"	39.970434
"240732"	686.202026	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+ACN+H"	42.033826
"1215628"	364.117926	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+ACN+H"	42.033826
"1197326"	182.562601	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+ACN+2H"	43.041102
"189339"	689.13936	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+2Na-H"	44.97116
"629626"	1011.22346	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+2Na-H"	44.97116
"1132203"	367.05526	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2Na-H"	44.97116
"173759"	345.073318	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+2Na"	45.978436
"620856"	506.115368	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+2Na"	45.978436
"1126549"	184.031268	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2Na"	45.978436
"1410439"	123.023270666667	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H+2Na"	46.985712
"1438542"	369.096846	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H+HCOOH"	47.012746
"221068"	350.10634	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+3H2O+2H"	56.04448
"1513021"	383.14889	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+IsoProp+H"	61.06479
"412708"	353.060288	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+Na+K"	61.952376
"773706"	514.102338	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+Na+K"	61.952376
"1665701"	192.018238	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Na+K"	61.952376
"255828"	708.183968	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+ACN+Na"	64.015768
"1225733"	386.099868	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+ACN+Na"	64.015768
"1719250"	386.123393	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+NH4+HCOOH"	64.039293
"1185698"	130.350584666667	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+3Na"	68.967654
"1651581"	391.078788	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Na+HCOOH"	68.994688
"159533"	721.08724	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+2K-H"	76.91904
"600190"	1043.17134	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+2K-H"	76.91904
"1089805"	399.00314	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2K-H"	76.91904
"148809"	361.047258	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"2M+2K"	77.926316
"588372"	522.089308	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"3M+2K"	77.926316
"1076165"	200.005208	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2K"	77.926316
"1108282"	401.017692	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2K+H"	78.933592
"1344666"	401.105307	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+DMSO+H"	79.021207
"1011008"	405.144476	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2ACN+H"	83.060376
"1525852"	406.138108	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+IsoProp+Na+H"	84.054008
"995582"	203.075876	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+2ACN+2H"	84.067652
"1592273"	407.052728	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+K+HCOOH"	84.968628
"1423400"	437.084238	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+H+CF3COOH"	115.000138
"1154783"	223.589151	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+3ACN+2H"	125.094202
"1701052"	454.110785	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+NH4+CF3COOH"	132.026685
"1645460"	459.06618	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+Na+CF3COOH"	136.98208
"1583295"	475.04012	"C12374"	"Decarboxytetracenomycin F1"	"C19H14O5"	"322.0841"	"M+K+CF3COOH"	152.95602
"810382"	394.0689	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M"	0
"980637"	375.05051	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-H2O-H"	-19.01839
"66692"	261.705324	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M-3H"	-3.021828
"505160"	393.061624	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M-3H"	-3.021828
"884052"	130.349024	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-3H"	-3.021828
"600"	393.061624	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M-2H"	-2.014552
"440237"	590.096074	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M-2H"	-2.014552
"819986"	196.027174	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-2H"	-2.014552
"81073"	787.130524	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M-H"	-1.007276
"519662"	1181.199424	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M-H"	-1.007276
"896127"	393.061624	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-H"	-1.007276
"48802"	804.157071	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M-2H+NH4"	16.019271
"492371"	1198.225971	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M-2H+NH4"	16.019271
"869080"	410.088171	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-2H+NH4"	16.019271
"36981"	809.112466	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M-2H+Na"	20.974666
"476541"	1203.181366	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M-2H+Na"	20.974666
"854345"	415.043566	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-2H+Na"	20.974666
"1618688"	415.043566	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Na-2H"	20.974666
"94510"	411.049963	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M-H+Cl"	33.962126
"534307"	608.084413	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M-H+Cl"	33.962126
"928381"	214.015513	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-H+Cl"	33.962126
"268767"	823.107202	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+Cl"	34.969402
"666658"	1217.176102	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+Cl"	34.969402
"1285625"	429.038302	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Cl"	34.969402
"29275"	825.086406	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M-2H+K"	36.948606
"470619"	1219.155306	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M-2H+K"	36.948606
"847988"	431.017506	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-2H+K"	36.948606
"1570499"	431.017506	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+K-2H"	36.948606
"958426"	439.067094	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-H+HCOOH"	44.998194
"376828"	833.136001	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+HCOOH-H"	44.998201
"359387"	847.151651	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+Hac-H"	59.013851
"1501288"	453.082751	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Hac-H"	59.013851
"968832"	461.049051	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-H+NaCOOH"	66.980151
"121749"	429.038302	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+2Cl"	69.938804
"559486"	626.072752	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+2Cl"	69.938804
"1029380"	232.003852	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2Cl"	69.938804
"1247863"	472.987785	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Br"	78.918885
"1312497"	475.043772	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Cl+HCOOH"	80.974872
"1332181"	497.025729	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Cl+NaCOOH"	102.956829
"915948"	507.054486	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M-H+CF3COOH"	112.985586
"1302509"	543.031164	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Cl+CF3COOH"	148.962264
"1374834"	359.056224	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H-2H2O"	-35.012676
"1397440"	377.0662	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H-H2O"	-17.0027
"289833"	789.145076	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+H"	1.007276
"682255"	1183.213976	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+H"	1.007276
"1364800"	395.076176	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H"	1.007276
"135870"	395.076176	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+2H"	2.014552
"572149"	592.110626	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+2H"	2.014552
"1039853"	198.041726	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2H"	2.014552
"206659"	263.719876	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+3H"	3.021828
"652786"	395.076176	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+3H"	3.021828
"1170913"	132.363576	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+3H"	3.021828
"437469"	806.171623	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+NH4"	18.033823
"794090"	1200.240523	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+NH4"	18.033823
"1693701"	412.102723	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+NH4"	18.033823
"339797"	403.5894495	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+H+NH4"	19.041099
"732214"	600.6238995	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+H+NH4"	19.041099
"1488953"	206.5549995	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H+NH4"	19.041099
"405809"	811.127018	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+Na"	22.989218
"766803"	1205.195918	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+Na"	22.989218
"1617456"	417.058118	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Na"	22.989218
"328222"	406.067147	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+H+Na"	23.996494
"720401"	603.101597	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+H+Na"	23.996494
"1473368"	209.032697	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H+Na"	23.996494
"1064427"	139.69089	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2H+Na"	25.00377
"1269388"	427.102386	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+CH3OH+H"	33.033486
"387964"	827.100958	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+K"	38.963158
"746773"	1221.169858	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+K"	38.963158
"1552834"	433.032058	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+K"	38.963158
"308186"	414.054117	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+H+K"	39.970434
"699515"	611.088567	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+H+K"	39.970434
"1452240"	217.019667	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H+K"	39.970434
"243029"	830.171626	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+ACN+H"	42.033826
"1213550"	436.102726	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+ACN+H"	42.033826
"1194553"	218.555001	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+ACN+2H"	43.041102
"189205"	833.10896	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+2Na-H"	44.97116
"629736"	1227.17786	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+2Na-H"	44.97116
"1131446"	439.04006	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2Na-H"	44.97116
"176664"	417.058118	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+2Na"	45.978436
"619874"	614.092568	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+2Na"	45.978436
"1127025"	220.023668	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2Na"	45.978436
"1408725"	147.018204	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H+2Na"	46.985712
"1439746"	441.081646	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H+HCOOH"	47.012746
"227254"	422.09114	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+3H2O+2H"	56.04448
"1513128"	455.13369	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+IsoProp+H"	61.06479
"409167"	425.045088	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+Na+K"	61.952376
"772719"	622.079538	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+Na+K"	61.952376
"1669416"	228.010638	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Na+K"	61.952376
"255574"	852.153568	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+ACN+Na"	64.015768
"1226825"	458.084668	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+ACN+Na"	64.015768
"1717173"	458.108193	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+NH4+HCOOH"	64.039293
"1180339"	154.345518	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+3Na"	68.967654
"1650958"	463.063588	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Na+HCOOH"	68.994688
"157820"	865.05684	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+2K-H"	76.91904
"601029"	1259.12574	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+2K-H"	76.91904
"1087729"	470.98794	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2K-H"	76.91904
"147826"	433.032058	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"2M+2K"	77.926316
"586295"	630.066508	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"3M+2K"	77.926316
"1075182"	235.997608	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2K"	77.926316
"1107299"	473.002492	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2K+H"	78.933592
"1342589"	473.090107	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+DMSO+H"	79.021207
"1011118"	477.129276	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2ACN+H"	83.060376
"1527056"	478.122908	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+IsoProp+Na+H"	84.054008
"990588"	239.068276	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+2ACN+2H"	84.067652
"1589103"	479.037528	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+K+HCOOH"	84.968628
"1420230"	509.069038	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+H+CF3COOH"	115.000138
"1153799"	259.581551	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+3ACN+2H"	125.094202
"1698975"	526.095585	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+NH4+CF3COOH"	132.026685
"1646663"	531.05098	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+Na+CF3COOH"	136.98208
"1583405"	547.02492	"C12375"	"Tetracenomycin D3 methylester"	"C21H14O8"	"394.0689"	"M+K+CF3COOH"	152.95602
"810492"	336.0634	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M"	0
"980747"	317.04501	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-H2O-H"	-19.01839
"68988"	223.034990666667	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M-3H"	-3.021828
"505270"	335.056124	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M-3H"	-3.021828
"882339"	111.013857333333	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-3H"	-3.021828
"345"	335.056124	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M-2H"	-2.014552
"440837"	503.087824	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M-2H"	-2.014552
"817787"	167.024424	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-2H"	-2.014552
"83370"	671.119524	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M-H"	-1.007276
"519888"	1007.182924	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M-H"	-1.007276
"897813"	335.056124	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-H"	-1.007276
"47820"	688.146071	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M-2H+NH4"	16.019271
"489324"	1024.209471	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M-2H+NH4"	16.019271
"865910"	352.082671	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-2H+NH4"	16.019271
"35999"	693.101466	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M-2H+Na"	20.974666
"474829"	1029.164866	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M-2H+Na"	20.974666
"854455"	357.038066	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-2H+Na"	20.974666
"1618684"	357.038066	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Na-2H"	20.974666
"94647"	353.044463	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M-H+Cl"	33.962126
"534856"	521.076163	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M-H+Cl"	33.962126
"928855"	185.012763	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-H+Cl"	33.962126
"268877"	707.096202	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+Cl"	34.969402
"670047"	1043.159602	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+Cl"	34.969402
"1285006"	371.032802	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Cl"	34.969402
"30478"	709.075406	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M-2H+K"	36.948606
"469675"	1045.138806	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M-2H+K"	36.948606
"847814"	373.012006	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-2H+K"	36.948606
"1569881"	373.012006	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+K-2H"	36.948606
"957400"	381.061594	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-H+HCOOH"	44.998194
"374885"	717.125001	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+HCOOH-H"	44.998201
"359132"	731.140651	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+Hac-H"	59.013851
"1500305"	395.077251	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Hac-H"	59.013851
"971129"	403.043551	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-H+NaCOOH"	66.980151
"118943"	371.032802	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+2Cl"	69.938804
"559596"	539.064502	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+2Cl"	69.938804
"1029489"	203.001102	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2Cl"	69.938804
"1251251"	414.982285	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Br"	78.918885
"1312607"	417.038272	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Cl+HCOOH"	80.974872
"1331927"	439.020229	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Cl+NaCOOH"	102.956829
"917151"	449.048986	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M-H+CF3COOH"	112.985586
"1292767"	485.025664	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Cl+CF3COOH"	148.962264
"1372757"	301.050724	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H-2H2O"	-35.012676
"1396457"	319.0607	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H-H2O"	-17.0027
"289943"	673.134076	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+H"	1.007276
"683458"	1009.197476	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+H"	1.007276
"1364910"	337.070676	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H"	1.007276
"135980"	337.070676	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+2H"	2.014552
"574446"	505.102376	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+2H"	2.014552
"1044336"	169.038976	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2H"	2.014552
"210048"	225.049542666667	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+3H"	3.021828
"647428"	337.070676	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+3H"	3.021828
"1173209"	113.028409333333	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+3H"	3.021828
"437215"	690.160623	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+NH4"	18.033823
"794200"	1026.224023	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+NH4"	18.033823
"1692718"	354.097223	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+NH4"	18.033823
"339903"	345.5839495	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+H+NH4"	19.041099
"735606"	513.6156495	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+H+NH4"	19.041099
"1488334"	177.5522495	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H+NH4"	19.041099
"405192"	695.116018	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+Na"	22.989218
"767643"	1031.179418	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+Na"	22.989218
"1612824"	359.052618	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Na"	22.989218
"327846"	348.061647	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+H+Na"	23.996494
"721606"	516.093347	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+H+Na"	23.996494
"1473478"	180.029947	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H+Na"	23.996494
"1066972"	120.355723333333	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2H+Na"	25.00377
"1270472"	369.096886	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+CH3OH+H"	33.033486
"386981"	711.089958	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+K"	38.963158
"745790"	1047.153358	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+K"	38.963158
"1551122"	375.026558	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+K"	38.963158
"308296"	356.048617	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+H+K"	39.970434
"702541"	524.080317	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+H+K"	39.970434
"1452351"	188.016917	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H+K"	39.970434
"236576"	714.160626	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+ACN+H"	42.033826
"1212930"	378.097226	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+ACN+H"	42.033826
"1194985"	189.552251	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+ACN+2H"	43.041102
"189800"	717.09796	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+2Na-H"	44.97116
"628793"	1053.16136	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+2Na-H"	44.97116
"1131572"	381.03456	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2Na-H"	44.97116
"175072"	359.052618	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+2Na"	45.978436
"620709"	527.084318	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+2Na"	45.978436
"1123124"	191.020918	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2Na"	45.978436
"1411021"	127.683037333333	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H+2Na"	46.985712
"1439856"	383.076146	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H+HCOOH"	47.012746
"228457"	364.08564	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+3H2O+2H"	56.04448
"1519799"	397.12819	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+IsoProp+H"	61.06479
"408793"	367.039588	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+Na+K"	61.952376
"770134"	535.071288	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+Na+K"	61.952376
"1667339"	199.007888	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Na+K"	61.952376
"253131"	736.142568	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+ACN+Na"	64.015768
"1226935"	400.079168	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+ACN+Na"	64.015768
"1717283"	400.102693	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+NH4+HCOOH"	64.039293
"1180813"	135.010351333333	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+3Na"	68.967654
"1651068"	405.058088	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Na+HCOOH"	68.994688
"159024"	749.04584	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+2K-H"	76.91904
"601139"	1085.10924	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+2K-H"	76.91904
"1087838"	412.98244	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2K-H"	76.91904
"146842"	375.026558	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"2M+2K"	77.926316
"588592"	543.058258	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"3M+2K"	77.926316
"1075292"	206.994858	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2K"	77.926316
"1105222"	414.996992	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2K+H"	78.933592
"1340513"	415.084607	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+DMSO+H"	79.021207
"1011228"	419.123776	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2ACN+H"	83.060376
"1526073"	420.117408	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+IsoProp+Na+H"	84.054008
"993246"	210.065526	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+2ACN+2H"	84.067652
"1590306"	421.032028	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+K+HCOOH"	84.968628
"1420340"	451.063538	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+H+CF3COOH"	115.000138
"1151721"	230.578801	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+3ACN+2H"	125.094202
"1698113"	468.090085	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+NH4+CF3COOH"	132.026685
"1646773"	473.04548	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+Na+CF3COOH"	136.98208
"1583515"	489.01942	"C12376"	"Tetracenomycin D1"	"C19H12O6"	"336.0634"	"M+K+CF3COOH"	152.95602
"810602"	350.079	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M"	0
"980859"	331.06061	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-H2O-H"	-19.01839
"63076"	232.378724	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M-3H"	-3.021828
"503554"	349.071724	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M-3H"	-3.021828
"882089"	115.685724	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-3H"	-3.021828
"780"	349.071724	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M-2H"	-2.014552
"440705"	524.111224	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M-2H"	-2.014552
"818386"	174.032224	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-2H"	-2.014552
"81415"	699.150724	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M-H"	-1.007276
"520489"	1049.229724	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M-H"	-1.007276
"896590"	349.071724	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-H"	-1.007276
"47805"	716.177271	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M-2H+NH4"	16.019271
"488947"	1066.256271	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M-2H+NH4"	16.019271
"866266"	366.098271	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-2H+NH4"	16.019271
"37207"	721.132666	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M-2H+Na"	20.974666
"480048"	1071.211666	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M-2H+Na"	20.974666
"852382"	371.053666	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-2H+Na"	20.974666
"1619079"	371.053666	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Na-2H"	20.974666
"97355"	367.060063	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M-H+Cl"	33.962126
"539102"	542.099563	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M-H+Cl"	33.962126
"934807"	192.020563	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-H+Cl"	33.962126
"281879"	735.127402	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+Cl"	34.969402
"674670"	1085.206402	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+Cl"	34.969402
"1288287"	385.048402	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Cl"	34.969402
"31048"	737.106606	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M-2H+K"	36.948606
"470040"	1087.185606	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M-2H+K"	36.948606
"847723"	387.027606	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-2H+K"	36.948606
"1569995"	387.027606	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+K-2H"	36.948606
"957388"	395.077194	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-H+HCOOH"	44.998194
"374263"	745.156201	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+HCOOH-H"	44.998201
"358879"	759.171851	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+Hac-H"	59.013851
"1505525"	409.092851	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Hac-H"	59.013851
"970152"	417.059151	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-H+NaCOOH"	66.980151
"121243"	385.048402	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+2Cl"	69.938804
"556428"	560.087902	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+2Cl"	69.938804
"1029599"	210.008902	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2Cl"	69.938804
"1246263"	428.997885	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Br"	78.918885
"1309075"	431.053872	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Cl+HCOOH"	80.974872
"1329125"	453.035829	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Cl+NaCOOH"	102.956829
"926022"	463.064586	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M-H+CF3COOH"	112.985586
"1302364"	499.041264	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Cl+CF3COOH"	148.962264
"1375057"	315.066324	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H-2H2O"	-35.012676
"1396932"	333.0763	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H-H2O"	-17.0027
"296624"	701.165276	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+H"	1.007276
"690870"	1051.244276	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+H"	1.007276
"1366244"	351.086276	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H"	1.007276
"141079"	351.086276	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+2H"	2.014552
"574558"	526.125776	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+2H"	2.014552
"1046639"	176.046776	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2H"	2.014552
"212352"	234.393276	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+3H"	3.021828
"653013"	351.086276	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+3H"	3.021828
"1174420"	117.700276	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+3H"	3.021828
"434412"	718.191823	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+NH4"	18.033823
"797594"	1068.270823	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+NH4"	18.033823
"1692830"	368.112823	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+NH4"	18.033823
"337830"	359.5995495	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+H+NH4"	19.041099
"731344"	534.6390495	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+H+NH4"	19.041099
"1488443"	184.5600495	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H+NH4"	19.041099
"403845"	723.147218	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+Na"	22.989218
"765935"	1073.226218	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+Na"	22.989218
"1612938"	373.068218	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Na"	22.989218
"325162"	362.077247	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+H+Na"	23.996494
"711025"	537.116747	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+H+Na"	23.996494
"1465208"	187.037747	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H+Na"	23.996494
"1063555"	125.02759	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2H+Na"	25.00377
"1264142"	383.112486	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+CH3OH+H"	33.033486
"382718"	739.121158	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+K"	38.963158
"743714"	1089.200158	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+K"	38.963158
"1543580"	389.042158	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+K"	38.963158
"306222"	370.064217	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+H+K"	39.970434
"698641"	545.103717	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+H+K"	39.970434
"1449179"	195.024717	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H+K"	39.970434
"237050"	742.191826	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+ACN+H"	42.033826
"1217055"	392.112826	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+ACN+H"	42.033826
"1198752"	196.560051	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+ACN+2H"	43.041102
"194904"	745.12916	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+2Na-H"	44.97116
"631184"	1095.20816	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+2Na-H"	44.97116
"1137971"	395.05016	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2Na-H"	44.97116
"177253"	373.068218	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+2Na"	45.978436
"619727"	548.107718	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+2Na"	45.978436
"1121046"	198.028718	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2Na"	45.978436
"1406758"	132.354904	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H+2Na"	46.985712
"1433771"	397.091746	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H+HCOOH"	47.012746
"222009"	378.10124	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+3H2O+2H"	56.04448
"1510801"	411.14379	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+IsoProp+H"	61.06479
"408786"	381.055188	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+Na+K"	61.952376
"780234"	556.094688	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+Na+K"	61.952376
"1666236"	206.015688	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Na+K"	61.952376
"260172"	764.173768	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+ACN+Na"	64.015768
"1232883"	414.094768	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+ACN+Na"	64.015768
"1716300"	414.118293	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+NH4+HCOOH"	64.039293
"1184937"	139.682218	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+3Na"	68.967654
"1659206"	419.073688	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Na+HCOOH"	68.994688
"164973"	777.07704	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+2K-H"	76.91904
"602712"	1127.15604	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+2K-H"	76.91904
"1092692"	426.99804	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2K-H"	76.91904
"142581"	389.042158	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"2M+2K"	77.926316
"585423"	564.081658	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"3M+2K"	77.926316
"1075403"	214.002658	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2K"	77.926316
"1111894"	429.012592	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2K+H"	78.933592
"1338436"	429.100207	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+DMSO+H"	79.021207
"1012433"	433.139376	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2ACN+H"	83.060376
"1524247"	434.133008	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+IsoProp+Na+H"	84.054008
"991534"	217.073326	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+2ACN+2H"	84.067652
"1588229"	435.047628	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+K+HCOOH"	84.968628
"1427014"	465.079138	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+H+CF3COOH"	115.000138
"1161677"	237.586601	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+3ACN+2H"	125.094202
"1709038"	482.105685	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+NH4+CF3COOH"	132.026685
"1639220"	487.06108	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+Na+CF3COOH"	136.98208
"1583624"	503.03502	"C12377"	"Tetracenomycin B1"	"C20H14O6"	"350.079"	"M+K+CF3COOH"	152.95602
"812904"	408.0845	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M"	0
"980968"	389.06611	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-H2O-H"	-19.01839
"67025"	271.049057333333	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M-3H"	-3.021828
"510959"	407.077224	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M-3H"	-3.021828
"881106"	135.020890666667	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-3H"	-3.021828
"896"	407.077224	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M-2H"	-2.014552
"441429"	611.119474	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M-2H"	-2.014552
"819955"	203.034974	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-2H"	-2.014552
"79703"	815.161724	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M-H"	-1.007276
"522059"	1223.246224	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M-H"	-1.007276
"897067"	407.077224	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-H"	-1.007276
"48772"	832.188271	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M-2H+NH4"	16.019271
"491613"	1240.272771	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M-2H+NH4"	16.019271
"872696"	424.103771	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-2H+NH4"	16.019271
"40598"	837.143666	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M-2H+Na"	20.974666
"481252"	1245.228166	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M-2H+Na"	20.974666
"854685"	429.059166	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-2H+Na"	20.974666
"1622031"	429.059166	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Na-2H"	20.974666
"99653"	425.065563	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M-H+Cl"	33.962126
"538122"	629.107813	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M-H+Cl"	33.962126
"941616"	221.023313	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-H+Cl"	33.962126
"282356"	851.138402	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+Cl"	34.969402
"675147"	1259.222902	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+Cl"	34.969402
"1287308"	443.053902	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Cl"	34.969402
"30228"	853.117606	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M-2H+K"	36.948606
"469542"	1261.202106	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M-2H+K"	36.948606
"846980"	445.033106	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-2H+K"	36.948606
"1568646"	445.033106	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+K-2H"	36.948606
"956164"	453.082694	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-H+HCOOH"	44.998194
"371100"	861.167201	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+HCOOH-H"	44.998201
"354985"	875.182851	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+Hac-H"	59.013851
"1503813"	467.098351	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Hac-H"	59.013851
"968075"	475.064651	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-H+NaCOOH"	66.980151
"115889"	443.053902	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+2Cl"	69.938804
"559819"	647.096152	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+2Cl"	69.938804
"1027523"	239.011652	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2Cl"	69.938804
"1248197"	487.003385	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Br"	78.918885
"1309552"	489.059372	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Cl+HCOOH"	80.974872
"1332521"	511.041329	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Cl+NaCOOH"	102.956829
"925405"	521.070086	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M-H+CF3COOH"	112.985586
"1302474"	557.046764	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Cl+CF3COOH"	148.962264
"1381369"	373.071824	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H-2H2O"	-35.012676
"1394853"	391.0818	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H-H2O"	-17.0027
"294539"	817.176276	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+H"	1.007276
"685868"	1225.260776	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+H"	1.007276
"1361123"	409.091776	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H"	1.007276
"138392"	409.091776	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+2H"	2.014552
"576857"	613.134026	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+2H"	2.014552
"1041281"	205.049526	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2H"	2.014552
"211012"	273.063609333333	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+3H"	3.021828
"653125"	409.091776	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+3H"	3.021828
"1167241"	137.035442666667	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+3H"	3.021828
"426867"	834.202823	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+NH4"	18.033823
"787498"	1242.287323	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+NH4"	18.033823
"1683465"	426.118323	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+NH4"	18.033823
"331378"	417.6050495	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+H+NH4"	19.041099
"731455"	621.6472995	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+H+NH4"	19.041099
"1486369"	213.5627995	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H+NH4"	19.041099
"402861"	839.158218	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+Na"	22.989218
"767136"	1247.242718	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+Na"	22.989218
"1614144"	431.073718	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Na"	22.989218
"323087"	420.082747	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+H+Na"	23.996494
"712228"	624.124997	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+H+Na"	23.996494
"1464223"	216.040497	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H+Na"	23.996494
"1058199"	144.362756666667	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2H+Na"	25.00377
"1266439"	441.117986	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+CH3OH+H"	33.033486
"378817"	855.132158	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+K"	38.963158
"742366"	1263.216658	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+K"	38.963158
"1542232"	447.047658	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+K"	38.963158
"302687"	428.069717	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+H+K"	39.970434
"700939"	632.111967	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+H+K"	39.970434
"1454758"	224.027467	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H+K"	39.970434
"239712"	858.202826	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+ACN+H"	42.033826
"1216072"	450.118326	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+ACN+H"	42.033826
"1203236"	225.562801	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+ACN+2H"	43.041102
"193923"	861.14016	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+2Na-H"	44.97116
"634941"	1269.22466	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+2Na-H"	44.97116
"1142457"	453.05566	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2Na-H"	44.97116
"179185"	431.073718	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+2Na"	45.978436
"620204"	635.115968	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+2Na"	45.978436
"1129542"	227.031468	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2Na"	45.978436
"1411608"	151.690070666667	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H+2Na"	46.985712
"1440077"	455.097246	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H+HCOOH"	47.012746
"225399"	436.10674	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+3H2O+2H"	56.04448
"1516741"	469.14929	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+IsoProp+H"	61.06479
"422267"	439.060688	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+Na+K"	61.952376
"780344"	643.102938	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+Na+K"	61.952376
"1673764"	235.018438	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Na+K"	61.952376
"257002"	880.184768	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+ACN+Na"	64.015768
"1238462"	472.100268	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+ACN+Na"	64.015768
"1725160"	472.123793	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+NH4+HCOOH"	64.039293
"1188328"	159.017384666667	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+3Na"	68.967654
"1660409"	477.079188	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Na+HCOOH"	68.994688
"168367"	893.08804	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+2K-H"	76.91904
"606103"	1301.17254	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+2K-H"	76.91904
"1094629"	485.00354	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2K-H"	76.91904
"152903"	447.047658	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"2M+2K"	77.926316
"593193"	651.089908	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"3M+2K"	77.926316
"1077702"	243.005408	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2K"	77.926316
"1102164"	487.018092	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2K+H"	78.933592
"1338547"	487.105707	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+DMSO+H"	79.021207
"1007077"	491.144876	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2ACN+H"	83.060376
"1527390"	492.138508	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+IsoProp+Na+H"	84.054008
"993838"	246.076076	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+2ACN+2H"	84.067652
"1595995"	493.053128	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+K+HCOOH"	84.968628
"1423843"	523.084638	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+H+CF3COOH"	115.000138
"1156317"	266.589351	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+3ACN+2H"	125.094202
"1704773"	540.111185	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+NH4+CF3COOH"	132.026685
"1648086"	545.06658	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+Na+CF3COOH"	136.98208
"1583735"	561.04052	"C12378"	"Tetracenomycin B2;8-Demethyltetracenomycin A2"	"C22H16O8"	"408.0845"	"M+K+CF3COOH"	152.95602
"814103"	458.0849	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M"	0
"986544"	439.06651	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-H2O-H"	-19.01839
"71507"	304.382657333333	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M-3H"	-3.021828
"509972"	457.077624	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M-3H"	-3.021828
"886678"	151.687690666667	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-3H"	-3.021828
"1978"	457.077624	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M-2H"	-2.014552
"441903"	686.120074	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M-2H"	-2.014552
"818974"	228.035174	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-2H"	-2.014552
"80181"	915.162524	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M-H"	-1.007276
"523263"	1373.247424	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M-H"	-1.007276
"897787"	457.077624	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-H"	-1.007276
"48395"	932.189071	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M-2H+NH4"	16.019271
"491723"	1390.273971	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M-2H+NH4"	16.019271
"872806"	474.104171	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-2H+NH4"	16.019271
"38522"	937.144466	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M-2H+Na"	20.974666
"482455"	1395.229366	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M-2H+Na"	20.974666
"853701"	479.059566	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-2H+Na"	20.974666
"1621047"	479.059566	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Na-2H"	20.974666
"98670"	475.065963	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M-H+Cl"	33.962126
"539325"	704.108413	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M-H+Cl"	33.962126
"942700"	246.023513	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-H+Cl"	33.962126
"282706"	951.139202	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+Cl"	34.969402
"675375"	1409.224102	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+Cl"	34.969402
"1288147"	493.054302	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Cl"	34.969402
"31379"	953.118406	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M-2H+K"	36.948606
"470704"	1411.203306	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M-2H+K"	36.948606
"847819"	495.033506	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-2H+K"	36.948606
"1568390"	495.033506	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+K-2H"	36.948606
"955909"	503.083094	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-H+HCOOH"	44.998194
"373760"	961.168001	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+HCOOH-H"	44.998201
"357278"	975.183651	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+Hac-H"	59.013851
"1502830"	517.098751	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Hac-H"	59.013851
"970371"	525.065051	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-H+NaCOOH"	66.980151
"119275"	493.054302	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+2Cl"	69.938804
"559929"	722.096752	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+2Cl"	69.938804
"1025447"	264.011852	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2Cl"	69.938804
"1249400"	537.003785	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Br"	78.918885
"1306746"	539.059772	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Cl+HCOOH"	80.974872
"1333724"	561.041729	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Cl+NaCOOH"	102.956829
"925876"	571.070486	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M-H+CF3COOH"	112.985586
"1301490"	607.047164	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Cl+CF3COOH"	148.962264
"1381114"	423.072224	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H-2H2O"	-35.012676
"1394962"	441.0822	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H-H2O"	-17.0027
"295742"	917.177076	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+H"	1.007276
"687071"	1375.261976	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+H"	1.007276
"1362325"	459.092176	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H"	1.007276
"138502"	459.092176	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+2H"	2.014552
"576967"	688.134626	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+2H"	2.014552
"1041391"	230.049726	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2H"	2.014552
"210029"	306.397209333333	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+3H"	3.021828
"651047"	459.092176	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+3H"	3.021828
"1170267"	153.702242666667	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+3H"	3.021828
"429894"	934.203623	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+NH4"	18.033823
"788702"	1392.288523	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+NH4"	18.033823
"1684669"	476.118723	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+NH4"	18.033823
"331609"	467.6054495	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+H+NH4"	19.041099
"730471"	696.6478995	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+H+NH4"	19.041099
"1486479"	238.5629995	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H+NH4"	19.041099
"399691"	939.159018	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+Na"	22.989218
"758498"	1397.243918	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+Na"	22.989218
"1613161"	481.074118	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Na"	22.989218
"323196"	470.083147	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+H+Na"	23.996494
"714525"	699.125597	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+H+Na"	23.996494
"1464333"	241.040697	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H+Na"	23.996494
"1060496"	161.029556666667	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2H+Na"	25.00377
"1267643"	491.118386	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+CH3OH+H"	33.033486
"377628"	955.132958	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+K"	38.963158
"742842"	1413.217858	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+K"	38.963158
"1541979"	497.048058	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+K"	38.963158
"303163"	478.070117	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+H+K"	39.970434
"697771"	707.112567	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+H+K"	39.970434
"1452682"	249.027667	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H+K"	39.970434
"238365"	958.203626	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+ACN+H"	42.033826
"1212171"	500.118726	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+ACN+H"	42.033826
"1196784"	250.563001	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+ACN+2H"	43.041102
"195127"	961.14096	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+2Na-H"	44.97116
"634687"	1419.22586	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+2Na-H"	44.97116
"1138193"	503.05606	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2Na-H"	44.97116
"181484"	481.074118	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+2Na"	45.978436
"624325"	710.116568	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+2Na"	45.978436
"1127829"	252.031668	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2Na"	45.978436
"1413539"	168.356870666667	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H+2Na"	46.985712
"1436908"	505.097646	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H+HCOOH"	47.012746
"222230"	486.10714	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+3H2O+2H"	56.04448
"1519039"	519.14969	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+IsoProp+H"	61.06479
"421649"	489.061088	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+Na+K"	61.952376
"780454"	718.103538	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+Na+K"	61.952376
"1673873"	260.018638	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Na+K"	61.952376
"254925"	980.185568	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+ACN+Na"	64.015768
"1236384"	522.100668	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+ACN+Na"	64.015768
"1723083"	522.124193	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+NH4+HCOOH"	64.039293
"1187344"	175.684184666667	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+3Na"	68.967654
"1657603"	527.079588	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Na+HCOOH"	68.994688
"167383"	993.08884	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+2K-H"	76.91904
"606942"	1451.17374	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+2K-H"	76.91904
"1092550"	535.00394	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2K-H"	76.91904
"151920"	497.048058	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"2M+2K"	77.926316
"591115"	726.090508	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"3M+2K"	77.926316
"1077812"	268.005608	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2K"	77.926316
"1102395"	537.018492	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2K+H"	78.933592
"1336345"	537.106107	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+DMSO+H"	79.021207
"1007308"	541.145276	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2ACN+H"	83.060376
"1527499"	542.138908	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+IsoProp+Na+H"	84.054008
"995041"	271.076276	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+2ACN+2H"	84.067652
"1596105"	543.053528	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+K+HCOOH"	84.968628
"1423953"	573.085038	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+H+CF3COOH"	115.000138
"1157520"	291.589551	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+3ACN+2H"	125.094202
"1701603"	590.111585	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+NH4+CF3COOH"	132.026685
"1648196"	595.06698	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+Na+CF3COOH"	136.98208
"1583845"	611.04092	"C12379"	"8-Demethyltetracenomycin C"	"C22H18O11"	"458.0849"	"M+K+CF3COOH"	152.95602
"810932"	486.1162	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M"	0
"987747"	467.09781	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-H2O-H"	-19.01839
"73803"	323.070190666667	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M-3H"	-3.021828
"510082"	485.108924	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M-3H"	-3.021828
"886788"	161.031457333333	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-3H"	-3.021828
"11933"	485.108924	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M-2H"	-2.014552
"452588"	728.167024	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M-2H"	-2.014552
"824918"	242.050824	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-2H"	-2.014552
"78830"	971.225124	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M-H"	-1.007276
"524466"	1457.341324	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M-H"	-1.007276
"896804"	485.108924	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-H"	-1.007276
"52271"	988.251671	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M-2H+NH4"	16.019271
"491833"	1474.367871	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M-2H+NH4"	16.019271
"871824"	502.135471	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-2H+NH4"	16.019271
"39725"	993.207066	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M-2H+Na"	20.974666
"482202"	1479.323266	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M-2H+Na"	20.974666
"853811"	507.090866	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-2H+Na"	20.974666
"1619455"	507.090866	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Na-2H"	20.974666
"98781"	503.097263	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M-H+Cl"	33.962126
"539434"	746.155363	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M-H+Cl"	33.962126
"942755"	260.039163	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-H+Cl"	33.962126
"282780"	1007.201802	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+Cl"	34.969402
"675574"	1493.318002	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+Cl"	34.969402
"1288300"	521.085602	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Cl"	34.969402
"30651"	1009.181006	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M-2H+K"	36.948606
"471185"	1495.297206	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M-2H+K"	36.948606
"847973"	523.064806	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-2H+K"	36.948606
"1570689"	523.064806	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+K-2H"	36.948606
"957477"	531.114394	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-H+HCOOH"	44.998194
"373505"	1017.230601	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+HCOOH-H"	44.998201
"357388"	1031.246251	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+Hac-H"	59.013851
"1501849"	545.130051	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Hac-H"	59.013851
"970480"	553.096351	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-H+NaCOOH"	66.980151
"119385"	521.085602	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+2Cl"	69.938804
"560039"	764.143702	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+2Cl"	69.938804
"1023370"	278.027502	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2Cl"	69.938804
"1249510"	565.035085	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Br"	78.918885
"1306492"	567.091072	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Cl+HCOOH"	80.974872
"1334931"	589.073029	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Cl+NaCOOH"	102.956829
"926758"	599.101786	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M-H+CF3COOH"	112.985586
"1300507"	635.078464	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Cl+CF3COOH"	148.962264
"1380495"	451.103524	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H-2H2O"	-35.012676
"1395072"	469.1135	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H-H2O"	-17.0027
"292572"	973.239676	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+H"	1.007276
"687181"	1459.355876	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+H"	1.007276
"1359154"	487.123476	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H"	1.007276
"138611"	487.123476	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+2H"	2.014552
"577078"	730.181576	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+2H"	2.014552
"1045876"	244.065376	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2H"	2.014552
"209775"	325.084742666667	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+3H"	3.021828
"652251"	487.123476	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+3H"	3.021828
"1172564"	163.046009333333	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+3H"	3.021828
"431464"	990.266223	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+NH4"	18.033823
"787719"	1476.382423	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+NH4"	18.033823
"1682592"	504.150023	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+NH4"	18.033823
"330505"	495.6367495	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+H+NH4"	19.041099
"736049"	738.6948495	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+H+NH4"	19.041099
"1480029"	252.5786495	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H+NH4"	19.041099
"399803"	995.221618	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+Na"	22.989218
"766263"	1481.337818	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+Na"	22.989218
"1612175"	509.105418	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Na"	22.989218
"324399"	498.114447	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+H+Na"	23.996494
"713542"	741.172547	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+H+Na"	23.996494
"1462258"	255.056347	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H+Na"	23.996494
"1055133"	170.373323333333	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2H+Na"	25.00377
"1263382"	519.149686	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+CH3OH+H"	33.033486
"384144"	1011.195558	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+K"	38.963158
"740765"	1497.311758	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+K"	38.963158
"1543181"	525.079358	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+K"	38.963158
"303272"	506.101417	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+H+K"	39.970434
"696787"	749.159517	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+H+K"	39.970434
"1450603"	263.043317	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H+K"	39.970434
"236652"	1014.266226	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+ACN+H"	42.033826
"1210696"	528.150026	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+ACN+H"	42.033826
"1195181"	264.578651	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+ACN+2H"	43.041102
"189752"	1017.20356	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+2Na-H"	44.97116
"632241"	1503.31976	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+2Na-H"	44.97116
"1138302"	531.08736	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2Na-H"	44.97116
"183781"	509.105418	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+2Na"	45.978436
"623342"	752.163518	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+2Na"	45.978436
"1125754"	266.047318	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2Na"	45.978436
"1410369"	177.700637333333	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H+2Na"	46.985712
"1433010"	533.128946	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H+HCOOH"	47.012746
"223432"	514.13844	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+3H2O+2H"	56.04448
"1516963"	547.18099	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+IsoProp+H"	61.06479
"420301"	517.092388	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+Na+K"	61.952376
"777648"	760.150488	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+Na+K"	61.952376
"1675078"	274.034288	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Na+K"	61.952376
"261232"	1036.248168	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+ACN+Na"	64.015768
"1239775"	550.131968	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+ACN+Na"	64.015768
"1723193"	550.155493	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+NH4+HCOOH"	64.039293
"1186361"	185.027951333333	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+3Na"	68.967654
"1662819"	555.110888	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Na+HCOOH"	68.994688
"169317"	1049.15144	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+2K-H"	76.91904
"608513"	1535.26764	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+2K-H"	76.91904
"1093755"	563.03524	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2K-H"	76.91904
"153124"	525.079358	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"2M+2K"	77.926316
"594143"	768.137458	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"3M+2K"	77.926316
"1077922"	282.021258	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2K"	77.926316
"1107851"	565.049792	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2K+H"	78.933592
"1338768"	565.137407	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+DMSO+H"	79.021207
"1009484"	569.176576	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2ACN+H"	83.060376
"1527609"	570.170208	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+IsoProp+Na+H"	84.054008
"996244"	285.091926	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+2ACN+2H"	84.067652
"1595122"	571.084828	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+K+HCOOH"	84.968628
"1424063"	601.116338	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+H+CF3COOH"	115.000138
"1157630"	305.605201	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+3ACN+2H"	125.094202
"1701713"	618.142885	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+NH4+CF3COOH"	132.026685
"1648306"	623.09828	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+Na+CF3COOH"	136.98208
"1583955"	639.07222	"C12380"	"Tetracenomycin X"	"C24H22O11"	"486.1162"	"M+K+CF3COOH"	152.95602
"814322"	660.2054	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M"	0
"984576"	641.18701	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-H2O-H"	-19.01839
"71725"	439.129657333333	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M-3H"	-3.021828
"512379"	659.198124	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M-3H"	-3.021828
"892366"	219.061190666667	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-3H"	-3.021828
"2559"	659.198124	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M-2H"	-2.014552
"447222"	989.300824	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M-2H"	-2.014552
"826116"	329.095424	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-2H"	-2.014552
"86108"	1319.403524	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M-H"	-1.007276
"524577"	1979.608924	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M-H"	-1.007276
"902379"	659.198124	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-H"	-1.007276
"57846"	1336.430071	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M-2H+NH4"	16.019271
"496312"	1996.635471	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M-2H+NH4"	16.019271
"870834"	676.224671	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-2H+NH4"	16.019271
"32174"	1341.385466	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M-2H+Na"	20.974666
"472824"	2001.590866	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M-2H+Na"	20.974666
"856108"	681.180066	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-2H+Na"	20.974666
"1621267"	681.180066	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Na-2H"	20.974666
"98891"	677.186463	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M-H+Cl"	33.962126
"538450"	1007.289163	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M-H+Cl"	33.962126
"942708"	347.083763	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-H+Cl"	33.962126
"282362"	1355.380202	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+Cl"	34.969402
"675644"	2015.585602	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+Cl"	34.969402
"1288125"	695.174802	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Cl"	34.969402
"31245"	1357.359406	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M-2H+K"	36.948606
"470602"	2017.564806	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M-2H+K"	36.948606
"848478"	697.154006	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-2H+K"	36.948606
"1570433"	697.154006	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+K-2H"	36.948606
"957222"	705.203594	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-H+HCOOH"	44.998194
"373613"	1365.409001	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+HCOOH-H"	44.998201
"357498"	1379.424651	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+Hac-H"	59.013851
"1501958"	719.219251	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Hac-H"	59.013851
"969495"	727.185551	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-H+NaCOOH"	66.980151
"119495"	695.174802	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+2Cl"	69.938804
"561972"	1025.277502	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+2Cl"	69.938804
"1026758"	365.072102	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2Cl"	69.938804
"1249620"	739.124285	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Br"	78.918885
"1307695"	741.180272	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Cl+HCOOH"	80.974872
"1333947"	763.162229	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Cl+NaCOOH"	102.956829
"925371"	773.190986	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M-H+CF3COOH"	112.985586
"1300617"	809.167664	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Cl+CF3COOH"	148.962264
"1380241"	625.192724	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H-2H2O"	-35.012676
"1391902"	643.2027	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H-H2O"	-17.0027
"292682"	1321.418076	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+H"	1.007276
"687292"	1981.623476	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+H"	1.007276
"1358171"	661.212676	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H"	1.007276
"137628"	661.212676	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+2H"	2.014552
"576094"	991.315376	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+2H"	2.014552
"1045986"	331.109976	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2H"	2.014552
"208427"	441.144209333333	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+3H"	3.021828
"649443"	661.212676	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+3H"	3.021828
"1172672"	221.075742666667	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+3H"	3.021828
"434854"	1338.444623	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+NH4"	18.033823
"790747"	1998.650023	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+NH4"	18.033823
"1684161"	678.239223	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+NH4"	18.033823
"330168"	669.7259495	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+H+NH4"	19.041099
"733972"	999.8286495	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+H+NH4"	19.041099
"1477953"	339.6232495	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H+NH4"	19.041099
"398820"	1343.400018	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+Na"	22.989218
"766373"	2003.605418	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+Na"	22.989218
"1610099"	683.194618	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Na"	22.989218
"325969"	672.203647	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+H+Na"	23.996494
"707816"	1002.306347	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+H+Na"	23.996494
"1467473"	342.100947	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H+Na"	23.996494
"1057439"	228.403056666667	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2H+Na"	25.00377
"1263492"	693.238886	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+CH3OH+H"	33.033486
"379879"	1359.373958	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+K"	38.963158
"741602"	2019.579358	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+K"	38.963158
"1541468"	699.168558	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+K"	38.963158
"303384"	680.190617	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+H+K"	39.970434
"696897"	1010.293317	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+H+K"	39.970434
"1451806"	350.087917	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H+K"	39.970434
"237127"	1362.444626	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+ACN+H"	42.033826
"1210563"	702.239226	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+ACN+H"	42.033826
"1194929"	351.623251	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+ACN+2H"	43.041102
"189378"	1365.38196	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+2Na-H"	44.97116
"630153"	2025.58736	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+2Na-H"	44.97116
"1131492"	705.17656	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2Na-H"	44.97116
"181701"	683.194618	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+2Na"	45.978436
"625639"	1013.297318	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+2Na"	45.978436
"1125864"	353.091918	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2Na"	45.978436
"1408293"	235.730370666667	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H+2Na"	46.985712
"1434943"	707.218146	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H+HCOOH"	47.012746
"225731"	688.22764	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+3H2O+2H"	56.04448
"1515981"	721.27019	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+IsoProp+H"	61.06479
"420047"	691.181588	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+Na+K"	61.952376
"777758"	1021.284288	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+Na+K"	61.952376
"1673002"	361.078888	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Na+K"	61.952376
"261706"	1384.426568	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+ACN+Na"	64.015768
"1238065"	724.221168	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+ACN+Na"	64.015768
"1723303"	724.244693	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+NH4+HCOOH"	64.039293
"1186471"	243.057684666667	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+3Na"	68.967654
"1661836"	729.200088	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Na+HCOOH"	68.994688
"167239"	1397.32984	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+2K-H"	76.91904
"609352"	2057.53524	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+2K-H"	76.91904
"1095324"	737.12444	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2K-H"	76.91904
"153234"	699.168558	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"2M+2K"	77.926316
"592795"	1029.271258	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"3M+2K"	77.926316
"1076938"	369.065858	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2K"	77.926316
"1107961"	739.138992	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2K+H"	78.933592
"1338878"	739.226607	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+DMSO+H"	79.021207
"1009594"	743.265776	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2ACN+H"	83.060376
"1528812"	744.259408	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+IsoProp+Na+H"	84.054008
"995260"	372.136526	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+2ACN+2H"	84.067652
"1594139"	745.174028	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+K+HCOOH"	84.968628
"1426360"	775.205538	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+H+CF3COOH"	115.000138
"1157740"	392.649801	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+3ACN+2H"	125.094202
"1705103"	792.232085	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+NH4+CF3COOH"	132.026685
"1648416"	797.18748	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+Na+CF3COOH"	136.98208
"1584065"	813.16142	"C12381"	"Elloramycin A"	"C32H36O15"	"660.2054"	"M+K+CF3COOH"	152.95602
"814432"	400.0794	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M"	0
"985779"	381.06101	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-H2O-H"	-19.01839
"75115"	265.712324	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M-3H"	-3.021828
"514676"	399.072124	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M-3H"	-3.021828
"889196"	132.352524	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-3H"	-3.021828
"5583"	399.072124	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M-2H"	-2.014552
"446238"	599.111824	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M-2H"	-2.014552
"822946"	199.032424	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-2H"	-2.014552
"86218"	799.151524	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M-H"	-1.007276
"524687"	1199.230924	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M-H"	-1.007276
"903582"	399.072124	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-H"	-1.007276
"54676"	816.178071	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M-2H+NH4"	16.019271
"496422"	1216.257471	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M-2H+NH4"	16.019271
"870944"	416.098671	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-2H+NH4"	16.019271
"32284"	821.133466	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M-2H+Na"	20.974666
"473418"	1221.212866	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M-2H+Na"	20.974666
"851835"	421.054066	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-2H+Na"	20.974666
"1631212"	421.054066	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Na-2H"	20.974666
"100088"	417.060463	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M-H+Cl"	33.962126
"542930"	617.100163	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M-H+Cl"	33.962126
"936441"	217.020763	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-H+Cl"	33.962126
"278284"	835.128202	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+Cl"	34.969402
"669611"	1235.207602	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+Cl"	34.969402
"1283113"	435.048802	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Cl"	34.969402
"28585"	837.107406	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M-2H+K"	36.948606
"471264"	1237.186806	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M-2H+K"	36.948606
"847904"	437.028006	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-2H+K"	36.948606
"1570785"	437.028006	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+K-2H"	36.948606
"958290"	445.077594	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-H+HCOOH"	44.998194
"376638"	845.157001	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+HCOOH-H"	44.998201
"358701"	859.172651	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+Hac-H"	59.013851
"1503890"	459.093251	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Hac-H"	59.013851
"970698"	467.059551	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-H+NaCOOH"	66.980151
"119605"	435.048802	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+2Cl"	69.938804
"553698"	635.088502	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+2Cl"	69.938804
"1026138"	235.009102	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2Cl"	69.938804
"1249730"	478.998285	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Br"	78.918885
"1307805"	481.054272	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Cl+HCOOH"	80.974872
"1334421"	503.036229	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Cl+NaCOOH"	102.956829
"925359"	513.064986	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M-H+CF3COOH"	112.985586
"1302671"	549.041664	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Cl+CF3COOH"	148.962264
"1380714"	365.066724	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H-2H2O"	-35.012676
"1392012"	383.0767	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H-H2O"	-17.0027
"292792"	801.166076	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+H"	1.007276
"690681"	1201.245476	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+H"	1.007276
"1359374"	401.086676	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H"	1.007276
"136646"	401.086676	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+2H"	2.014552
"576204"	601.126376	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+2H"	2.014552
"1047189"	201.046976	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2H"	2.014552
"209630"	267.726876	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+3H"	3.021828
"650282"	401.086676	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+3H"	3.021828
"1172782"	134.367076	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+3H"	3.021828
"433869"	818.192623	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+NH4"	18.033823
"789762"	1218.272023	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+NH4"	18.033823
"1683541"	418.113223	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+NH4"	18.033823
"332181"	409.5999495	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+H+NH4"	19.041099
"728615"	609.6396495	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+H+NH4"	19.041099
"1480247"	209.5602495	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H+NH4"	19.041099
"395649"	823.148018	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+Na"	22.989218
"762109"	1223.227418	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+Na"	22.989218
"1612396"	423.068618	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Na"	22.989218
"323527"	412.077647	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+H+Na"	23.996494
"710480"	612.117347	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+H+Na"	23.996494
"1467582"	212.037947	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H+Na"	23.996494
"1055363"	141.69439	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2H+Na"	25.00377
"1262509"	433.112886	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+CH3OH+H"	33.033486
"379989"	839.121958	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+K"	38.963158
"740619"	1239.201358	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+K"	38.963158
"1545222"	439.042558	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+K"	38.963158
"305680"	420.064617	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+H+K"	39.970434
"701379"	620.104317	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+H+K"	39.970434
"1451916"	220.024917	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H+K"	39.970434
"237237"	842.192626	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+ACN+H"	42.033826
"1211402"	442.113226	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+ACN+H"	42.033826
"1195160"	221.560251	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+ACN+2H"	43.041102
"189367"	845.12996	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+2Na-H"	44.97116
"630626"	1245.20936	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+2Na-H"	44.97116
"1134872"	445.05056	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2Na-H"	44.97116
"177433"	423.068618	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+2Na"	45.978436
"622466"	623.108318	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+2Na"	45.978436
"1128160"	223.028918	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2Na"	45.978436
"1410590"	149.021704	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H+2Na"	46.985712
"1444894"	447.092146	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H+HCOOH"	47.012746
"225840"	428.10164	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+3H2O+2H"	56.04448
"1516090"	461.14419	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+IsoProp+H"	61.06479
"421978"	431.055588	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+Na+K"	61.952376
"777868"	631.095288	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+Na+K"	61.952376
"1673112"	231.015888	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Na+K"	61.952376
"262909"	864.174568	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+ACN+Na"	64.015768
"1236354"	464.095168	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+ACN+Na"	64.015768
"1723413"	464.118693	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+NH4+HCOOH"	64.039293
"1188767"	156.349018	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+3Na"	68.967654
"1659030"	469.074088	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Na+HCOOH"	68.994688
"162246"	877.07784	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+2K-H"	76.91904
"606183"	1277.15724	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+2K-H"	76.91904
"1093976"	476.99844	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2K-H"	76.91904
"152252"	439.042558	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"2M+2K"	77.926316
"592905"	639.082258	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"3M+2K"	77.926316
"1076684"	239.002858	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2K"	77.926316
"1109164"	479.012992	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2K+H"	78.933592
"1336555"	479.100607	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+DMSO+H"	79.021207
"1012984"	483.139776	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2ACN+H"	83.060376
"1525884"	484.133408	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+IsoProp+Na+H"	84.054008
"992090"	242.073526	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+2ACN+2H"	84.067652
"1593154"	485.048028	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+K+HCOOH"	84.968628
"1425376"	515.079538	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+H+CF3COOH"	115.000138
"1158943"	262.586801	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+3ACN+2H"	125.094202
"1701932"	532.106085	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+NH4+CF3COOH"	132.026685
"1648526"	537.06148	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+Na+CF3COOH"	136.98208
"1584175"	553.03542	"C12382"	"4-Demethylpremithramycinone"	"C20H16O9"	"400.0794"	"M+K+CF3COOH"	152.95602
"814542"	414.0951	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M"	0
"984796"	395.07671	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-H2O-H"	-19.01839
"73039"	275.056124	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M-3H"	-3.021828
"513693"	413.087824	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M-3H"	-3.021828
"889306"	137.024424	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-3H"	-3.021828
"1684"	413.087824	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M-2H"	-2.014552
"444162"	620.135374	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M-2H"	-2.014552
"823056"	206.040274	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-2H"	-2.014552
"85235"	827.182924	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M-H"	-1.007276
"524797"	1241.278024	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M-H"	-1.007276
"899319"	413.087824	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-H"	-1.007276
"54786"	844.209471	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M-2H+NH4"	16.019271
"493252"	1258.304571	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M-2H+NH4"	16.019271
"871054"	430.114371	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-2H+NH4"	16.019271
"32515"	849.164866	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M-2H+Na"	20.974666
"472674"	1263.259966	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M-2H+Na"	20.974666
"851945"	435.069766	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-2H+Na"	20.974666
"1628042"	435.069766	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Na-2H"	20.974666
"103478"	431.076163	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M-H+Cl"	33.962126
"543039"	638.123713	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M-H+Cl"	33.962126
"934365"	224.028613	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-H+Cl"	33.962126
"279852"	863.159602	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+Cl"	34.969402
"671544"	1277.254702	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+Cl"	34.969402
"1283223"	449.064502	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Cl"	34.969402
"29059"	865.138806	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M-2H+K"	36.948606
"469346"	1279.233906	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M-2H+K"	36.948606
"843141"	451.043706	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-2H+K"	36.948606
"1567724"	451.043706	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+K-2H"	36.948606
"955243"	459.093294	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-H+HCOOH"	44.998194
"368354"	873.188401	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+HCOOH-H"	44.998201
"360146"	887.204051	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+Hac-H"	59.013851
"1501085"	473.108951	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Hac-H"	59.013851
"970808"	481.075251	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-H+NaCOOH"	66.980151
"115340"	449.064502	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+2Cl"	69.938804
"557088"	656.112052	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+2Cl"	69.938804
"1025886"	242.016952	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2Cl"	69.938804
"1249840"	493.013985	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Br"	78.918885
"1311194"	495.069972	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Cl+HCOOH"	80.974872
"1333802"	517.051929	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Cl+NaCOOH"	102.956829
"921945"	527.080686	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M-H+CF3COOH"	112.985586
"1301930"	563.057364	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Cl+CF3COOH"	148.962264
"1377908"	379.082424	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H-2H2O"	-35.012676
"1395402"	397.0924	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H-H2O"	-17.0027
"292902"	829.197476	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+H"	1.007276
"683136"	1243.292576	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+H"	1.007276
"1356204"	415.102376	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H"	1.007276
"138579"	415.102376	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+2H"	2.014552
"577409"	622.149926	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+2H"	2.014552
"1048393"	208.054826	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2H"	2.014552
"208646"	277.070676	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+3H"	3.021828
"646017"	415.102376	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+3H"	3.021828
"1170705"	139.038976	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+3H"	3.021828
"428512"	846.224023	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+NH4"	18.033823
"790602"	1260.319123	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+NH4"	18.033823
"1684745"	432.128923	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+NH4"	18.033823
"334117"	423.6156495	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+H+NH4"	19.041099
"728722"	630.6631995	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+H+NH4"	19.041099
"1483637"	216.5680995	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H+NH4"	19.041099
"399035"	851.179418	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+Na"	22.989218
"760029"	1265.274518	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+Na"	22.989218
"1604850"	437.084318	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Na"	22.989218
"322540"	426.093347	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+H+Na"	23.996494
"712777"	633.140897	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+H+Na"	23.996494
"1461979"	219.045797	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H+Na"	23.996494
"1054618"	146.36629	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2H+Na"	25.00377
"1261522"	447.128586	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+CH3OH+H"	33.033486
"380461"	867.153358	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+K"	38.963158
"746557"	1281.248458	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+K"	38.963158
"1547518"	453.058258	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+K"	38.963158
"306879"	434.080317	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+H+K"	39.970434
"694926"	641.127867	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+H+K"	39.970434
"1450933"	227.032767	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H+K"	39.970434
"236006"	870.224026	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+ACN+H"	42.033826
"1210089"	456.128926	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+ACN+H"	42.033826
"1194698"	228.568101	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+ACN+2H"	43.041102
"188909"	873.16136	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+2Na-H"	44.97116
"629077"	1287.25646	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+2Na-H"	44.97116
"1131815"	459.06626	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2Na-H"	44.97116
"173057"	437.084318	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+2Na"	45.978436
"617103"	644.131868	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+2Na"	45.978436
"1126082"	230.036768	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2Na"	45.978436
"1409604"	153.693604	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H+2Na"	46.985712
"1440630"	461.107846	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H+HCOOH"	47.012746
"224857"	442.11734	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+3H2O+2H"	56.04448
"1513284"	475.15989	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+IsoProp+H"	61.06479
"421359"	445.071288	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+Na+K"	61.952376
"775062"	652.118838	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+Na+K"	61.952376
"1673220"	238.023738	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Na+K"	61.952376
"263019"	892.205968	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+ACN+Na"	64.015768
"1236100"	478.110868	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+ACN+Na"	64.015768
"1724981"	478.134393	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+NH4+HCOOH"	64.039293
"1189606"	161.020918	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+3Na"	68.967654
"1657683"	483.089788	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Na+HCOOH"	68.994688
"164543"	905.10924	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+2K-H"	76.91904
"607022"	1319.20434	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+2K-H"	76.91904
"1095910"	491.01414	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2K-H"	76.91904
"153455"	453.058258	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"2M+2K"	77.926316
"593380"	660.105808	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"3M+2K"	77.926316
"1077158"	246.010708	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2K"	77.926316
"1109274"	493.028692	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2K+H"	78.933592
"1336544"	493.116307	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+DMSO+H"	79.021207
"1010907"	497.155476	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2ACN+H"	83.060376
"1526358"	498.149108	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+IsoProp+Na+H"	84.054008
"992200"	249.081376	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+2ACN+2H"	84.067652
"1593264"	499.063728	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+K+HCOOH"	84.968628
"1423299"	529.095238	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+H+CF3COOH"	115.000138
"1157959"	269.594651	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+3ACN+2H"	125.094202
"1702042"	546.121785	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+NH4+CF3COOH"	132.026685
"1648272"	551.07718	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+Na+CF3COOH"	136.98208
"1584285"	567.05112	"C12383"	"Premithramycinone"	"C21H18O9"	"414.0951"	"M+K+CF3COOH"	152.95602
"813559"	544.1581	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M"	0
"984906"	525.13971	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-H2O-H"	-19.01839
"74242"	361.764790666667	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M-3H"	-3.021828
"517083"	543.150824	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M-3H"	-3.021828
"892696"	180.378757333333	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-3H"	-3.021828
"4712"	543.150824	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M-2H"	-2.014552
"444272"	815.229874	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M-2H"	-2.014552
"822073"	271.071774	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-2H"	-2.014552
"84252"	1087.308924	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M-H"	-1.007276
"528187"	1631.467024	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M-H"	-1.007276
"899429"	543.150824	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-H"	-1.007276
"54896"	1104.335471	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M-2H+NH4"	16.019271
"492269"	1648.493571	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M-2H+NH4"	16.019271
"870071"	560.177371	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-2H+NH4"	16.019271
"32625"	1109.290866	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M-2H+Na"	20.974666
"471491"	1653.448966	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M-2H+Na"	20.974666
"852055"	565.132766	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-2H+Na"	20.974666
"1631432"	565.132766	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Na-2H"	20.974666
"104681"	561.139163	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M-H+Cl"	33.962126
"543148"	833.218213	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M-H+Cl"	33.962126
"937755"	289.060113	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-H+Cl"	33.962126
"275226"	1123.285602	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+Cl"	34.969402
"665824"	1667.443702	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+Cl"	34.969402
"1281146"	579.127502	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Cl"	34.969402
"24794"	1125.264806	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M-2H+K"	36.948606
"466541"	1669.422906	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M-2H+K"	36.948606
"844345"	581.106706	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-2H+K"	36.948606
"1568927"	581.106706	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+K-2H"	36.948606
"955354"	589.156294	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-H+HCOOH"	44.998194
"371744"	1133.314401	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+HCOOH-H"	44.998201
"349067"	1147.330051	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+Hac-H"	59.013851
"1495343"	603.171951	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Hac-H"	59.013851
"968727"	611.138251	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-H+NaCOOH"	66.980151
"119094"	579.127502	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+2Cl"	69.938804
"558290"	851.206552	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+2Cl"	69.938804
"1031462"	307.048452	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2Cl"	69.938804
"1246666"	623.076985	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Br"	78.918885
"1306927"	625.132972	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Cl+HCOOH"	80.974872
"1322235"	647.114929	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Cl+NaCOOH"	102.956829
"912565"	657.143686	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M-H+CF3COOH"	112.985586
"1296567"	693.120364	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Cl+CF3COOH"	148.962264
"1375823"	509.145424	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H-2H2O"	-35.012676
"1384570"	527.1554	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H-H2O"	-17.0027
"285350"	1089.323476	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+H"	1.007276
"677772"	1633.481576	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+H"	1.007276
"1352659"	545.165376	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H"	1.007276
"126159"	545.165376	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+2H"	2.014552
"569856"	817.244426	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+2H"	2.014552
"1037149"	273.086326	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2H"	2.014552
"209836"	363.779342666667	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+3H"	3.021828
"646846"	545.165376	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+3H"	3.021828
"1171903"	182.393309333333	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+3H"	3.021828
"432989"	1106.350023	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+NH4"	18.033823
"791795"	1650.508123	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+NH4"	18.033823
"1690321"	562.191923	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+NH4"	18.033823
"337504"	553.6786495	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+H+NH4"	19.041099
"729195"	825.7576995	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+H+NH4"	19.041099
"1487026"	281.5995995	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H+NH4"	19.041099
"400238"	1111.305418	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+Na"	22.989218
"759044"	1655.463518	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+Na"	22.989218
"1609333"	567.147318	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Na"	22.989218
"319370"	556.156347	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+H+Na"	23.996494
"711794"	828.235397	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+H+Na"	23.996494
"1462575"	284.077297	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H+Na"	23.996494
"1055579"	189.720623333333	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2H+Na"	25.00377
"1262724"	577.191586	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+CH3OH+H"	33.033486
"380207"	1127.279358	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+K"	38.963158
"742295"	1671.437458	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+K"	38.963158
"1548720"	583.121258	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+K"	38.963158
"304802"	564.143317	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+H+K"	39.970434
"694306"	836.222367	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+H+K"	39.970434
"1448127"	292.064267	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H+K"	39.970434
"236482"	1130.350026	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+ACN+H"	42.033826
"1210076"	586.191926	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+ACN+H"	42.033826
"1194565"	293.599601	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+ACN+2H"	43.041102
"189223"	1133.28736	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+2Na-H"	44.97116
"628864"	1677.44546	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+2Na-H"	44.97116
"1131919"	589.12926	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2Na-H"	44.97116
"173762"	567.147318	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+2Na"	45.978436
"617213"	839.226368	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+2Na"	45.978436
"1128013"	295.068268	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2Na"	45.978436
"1408619"	197.047937333333	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H+2Na"	46.985712
"1442561"	591.170846	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H+HCOOH"	47.012746
"232255"	572.18034	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+3H2O+2H"	56.04448
"1515216"	605.22289	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+IsoProp+H"	61.06479
"417093"	575.134288	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+Na+K"	61.952376
"772256"	847.213338	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+Na+K"	61.952376
"1673328"	303.055238	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Na+K"	61.952376
"262034"	1152.331968	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+ACN+Na"	64.015768
"1233651"	608.173868	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+ACN+Na"	64.015768
"1722538"	608.197393	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+NH4+HCOOH"	64.039293
"1183517"	204.375251333333	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+3Na"	68.967654
"1663253"	613.152788	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Na+HCOOH"	68.994688
"166838"	1165.23524	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+2K-H"	76.91904
"608952"	1709.39334	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+2K-H"	76.91904
"1095290"	621.07714	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2K-H"	76.91904
"152471"	583.121258	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"2M+2K"	77.926316
"592759"	855.200308	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"3M+2K"	77.926316
"1077268"	311.042208	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2K"	77.926316
"1109384"	623.091692	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2K+H"	78.933592
"1340301"	623.179307	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+DMSO+H"	79.021207
"1013204"	627.218476	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2ACN+H"	83.060376
"1531329"	628.212108	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+IsoProp+Na+H"	84.054008
"994497"	314.112876	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+2ACN+2H"	84.067652
"1594468"	629.126728	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+K+HCOOH"	84.968628
"1424501"	659.158238	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+H+CF3COOH"	115.000138
"1155882"	334.626151	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+3ACN+2H"	125.094202
"1705432"	676.184785	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+NH4+CF3COOH"	132.026685
"1648746"	681.14018	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+Na+CF3COOH"	136.98208
"1584395"	697.11412	"C12384"	"Premithramycin A1"	"C27H28O12"	"544.1581"	"M+K+CF3COOH"	152.95602
"814398"	674.2211	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M"	0
"985016"	655.20271	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-H2O-H"	-19.01839
"74352"	448.473457333333	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M-3H"	-3.021828
"517195"	673.213824	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M-3H"	-3.021828
"890619"	223.733090666667	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-3H"	-3.021828
"3729"	673.213824	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M-2H"	-2.014552
"447662"	1010.324374	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M-2H"	-2.014552
"822183"	336.103274	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-2H"	-2.014552
"86549"	1347.434924	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M-H"	-1.007276
"525017"	2021.656024	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M-H"	-1.007276
"899539"	673.213824	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-H"	-1.007276
"53913"	1364.461471	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M-2H+NH4"	16.019271
"492379"	2038.682571	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M-2H+NH4"	16.019271
"870181"	690.240371	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-2H+NH4"	16.019271
"32005"	1369.416866	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M-2H+Na"	20.974666
"471425"	2043.637966	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M-2H+Na"	20.974666
"852165"	695.195766	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-2H+Na"	20.974666
"1631908"	695.195766	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Na-2H"	20.974666
"104791"	691.202163	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M-H+Cl"	33.962126
"542163"	1028.312713	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M-H+Cl"	33.962126
"934584"	354.091613	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-H+Cl"	33.962126
"274242"	1383.411602	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+Cl"	34.969402
"665568"	2057.632702	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+Cl"	34.969402
"1279069"	709.190502	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Cl"	34.969402
"22718"	1385.390806	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M-2H+K"	36.948606
"465559"	2059.611906	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M-2H+K"	36.948606
"844456"	711.169706	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-2H+K"	36.948606
"1565758"	711.169706	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+K-2H"	36.948606
"957288"	719.219294	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-H+HCOOH"	44.998194
"369668"	1393.440401	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+HCOOH-H"	44.998201
"349177"	1407.456051	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+Hac-H"	59.013851
"1496913"	733.234951	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Hac-H"	59.013851
"966648"	741.201251	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-H+NaCOOH"	66.980151
"121391"	709.190502	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+2Cl"	69.938804
"557307"	1046.301052	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+2Cl"	69.938804
"1031572"	372.079952	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2Cl"	69.938804
"1245682"	753.139985	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Br"	78.918885
"1304481"	755.195972	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Cl+HCOOH"	80.974872
"1321252"	777.177929	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Cl+NaCOOH"	102.956829
"915592"	787.206686	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M-H+CF3COOH"	112.985586
"1296677"	823.183364	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Cl+CF3COOH"	148.962264
"1375933"	639.208424	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H-2H2O"	-35.012676
"1384680"	657.2184	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H-H2O"	-17.0027
"285826"	1349.449476	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+H"	1.007276
"676789"	2023.670576	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+H"	1.007276
"1353134"	675.228376	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H"	1.007276
"125839"	675.228376	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+2H"	2.014552
"570330"	1012.338926	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+2H"	2.014552
"1037335"	338.117826	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2H"	2.014552
"209946"	450.488009333333	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+3H"	3.021828
"650601"	675.228376	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+3H"	3.021828
"1172014"	225.747642666667	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+3H"	3.021828
"432006"	1366.476023	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+NH4"	18.033823
"791905"	2040.697123	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+NH4"	18.033823
"1688241"	692.254923	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+NH4"	18.033823
"340893"	683.7416495	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+H+NH4"	19.041099
"728941"	1020.8521995	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+H+NH4"	19.041099
"1488229"	346.6310995	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H+NH4"	19.041099
"399254"	1371.431418	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+Na"	22.989218
"762435"	2045.652518	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+Na"	22.989218
"1610537"	697.210318	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Na"	22.989218
"324947"	686.219347	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+H+Na"	23.996494
"716278"	1023.329897	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+H+Na"	23.996494
"1470098"	349.108797	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H+Na"	23.996494
"1057876"	233.074956666667	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2H+Na"	25.00377
"1267210"	707.254586	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+CH3OH+H"	33.033486
"382506"	1387.405358	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+K"	38.963158
"747873"	2061.626458	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+K"	38.963158
"1547736"	713.184258	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+K"	38.963158
"306005"	694.206317	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+H+K"	39.970434
"694051"	1031.316867	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+H+K"	39.970434
"1450061"	357.095767	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H+K"	39.970434
"235904"	1390.476026	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+ACN+H"	42.033826
"1210028"	716.254926	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+ACN+H"	42.033826
"1194216"	358.631101	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+ACN+2H"	43.041102
"188574"	1393.41336	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+2Na-H"	44.97116
"628727"	2067.63446	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+2Na-H"	44.97116
"1131447"	719.19226	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2Na-H"	44.97116
"176304"	697.210318	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+2Na"	45.978436
"613142"	1034.320868	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+2Na"	45.978436
"1122653"	360.099768	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2Na"	45.978436
"1405448"	240.402270666667	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H+2Na"	46.985712
"1440846"	721.233846	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H+HCOOH"	47.012746
"231273"	702.24334	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+3H2O+2H"	56.04448
"1518606"	735.28589	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+IsoProp+H"	61.06479
"420483"	705.197288	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+Na+K"	61.952376
"775283"	1042.307838	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+Na+K"	61.952376
"1673438"	368.086738	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Na+K"	61.952376
"259228"	1412.457968	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+ACN+Na"	64.015768
"1232302"	738.236868	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+ACN+Na"	64.015768
"1722648"	738.260393	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+NH4+HCOOH"	64.039293
"1183627"	247.729584666667	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+3Na"	68.967654
"1662270"	743.215788	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Na+HCOOH"	68.994688
"165855"	1425.36124	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+2K-H"	76.91904
"607240"	2099.58234	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+2K-H"	76.91904
"1093211"	751.14014	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2K-H"	76.91904
"152214"	713.184258	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"2M+2K"	77.926316
"590316"	1050.294808	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"3M+2K"	77.926316
"1078837"	376.073708	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2K"	77.926316
"1106213"	753.154692	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2K+H"	78.933592
"1338224"	753.242307	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+DMSO+H"	79.021207
"1012219"	757.281476	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2ACN+H"	83.060376
"1529251"	758.275108	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+IsoProp+Na+H"	84.054008
"1001168"	379.144376	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+2ACN+2H"	84.067652
"1598952"	759.189728	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+K+HCOOH"	84.968628
"1428621"	789.221238	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+H+CF3COOH"	115.000138
"1162626"	399.657651	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+3ACN+2H"	125.094202
"1701167"	806.247785	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+NH4+CF3COOH"	132.026685
"1648492"	811.20318	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+Na+CF3COOH"	136.98208
"1584505"	827.17712	"C12385"	"Premithramycin A2"	"C33H38O15"	"674.2211"	"M+K+CF3COOH"	152.95602
"812686"	818.2997	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M"	0
"981846"	799.28131	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-H2O-H"	-19.01839
"71182"	544.525857333333	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M-3H"	-3.021828
"515117"	817.292424	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M-3H"	-3.021828
"889636"	271.759290666667	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-3H"	-3.021828
"1652"	817.292424	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M-2H"	-2.014552
"444492"	1226.442274	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M-2H"	-2.014552
"819013"	408.142574	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-2H"	-2.014552
"84472"	1635.592124	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M-H"	-1.007276
"525127"	2453.891824	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M-H"	-1.007276
"900013"	817.292424	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-H"	-1.007276
"55116"	1652.618671	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M-2H+NH4"	16.019271
"492489"	2470.918371	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M-2H+NH4"	16.019271
"870291"	834.318971	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-2H+NH4"	16.019271
"34911"	1657.574066	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M-2H+Na"	20.974666
"472160"	2475.873766	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M-2H+Na"	20.974666
"853369"	839.274366	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-2H+Na"	20.974666
"1630925"	839.274366	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Na-2H"	20.974666
"105631"	835.280763	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M-H+Cl"	33.962126
"545190"	1244.430613	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M-H+Cl"	33.962126
"937611"	426.130913	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-H+Cl"	33.962126
"274352"	1671.568802	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+Cl"	34.969402
"666771"	2489.868502	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+Cl"	34.969402
"1279179"	853.269102	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Cl"	34.969402
"23921"	1673.548006	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M-2H+K"	36.948606
"465669"	2491.847706	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M-2H+K"	36.948606
"838004"	855.248306	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-2H+K"	36.948606
"1564774"	855.248306	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+K-2H"	36.948606
"953751"	863.297894	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-H+HCOOH"	44.998194
"371965"	1681.597601	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+HCOOH-H"	44.998201
"349286"	1695.613251	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+Hac-H"	59.013851
"1500663"	877.313551	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Hac-H"	59.013851
"963478"	885.279851	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-H+NaCOOH"	66.980151
"119679"	853.269102	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+2Cl"	69.938804
"554137"	1262.418952	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+2Cl"	69.938804
"1025122"	444.119252	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2Cl"	69.938804
"1241901"	897.218585	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Br"	78.918885
"1306054"	899.274572	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Cl+HCOOH"	80.974872
"1322455"	921.256529	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Cl+NaCOOH"	102.956829
"911693"	931.285286	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M-H+CF3COOH"	112.985586
"1297880"	967.261964	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Cl+CF3COOH"	148.962264
"1380054"	783.287024	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H-2H2O"	-35.012676
"1385884"	801.297	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H-H2O"	-17.0027
"284843"	1637.606676	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+H"	1.007276
"678357"	2455.906376	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+H"	1.007276
"1351909"	819.306976	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H"	1.007276
"126051"	819.306976	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+2H"	2.014552
"566420"	1228.456826	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+2H"	2.014552
"1037774"	410.157126	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2H"	2.014552
"205557"	546.540409333333	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+3H"	3.021828
"649618"	819.306976	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+3H"	3.021828
"1172124"	273.773842666667	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+3H"	3.021828
"431023"	1654.633223	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+NH4"	18.033823
"792379"	2472.932923	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+NH4"	18.033823
"1693818"	836.333523	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+NH4"	18.033823
"342096"	827.8202495	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+H+NH4"	19.041099
"732331"	1236.9700995	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+H+NH4"	19.041099
"1485059"	418.6703995	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H+NH4"	19.041099
"399364"	1659.588618	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+Na"	22.989218
"760358"	2477.888318	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+Na"	22.989218
"1611741"	841.288918	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Na"	22.989218
"323965"	830.297947	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+H+Na"	23.996494
"715295"	1239.447797	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+H+Na"	23.996494
"1468023"	421.148097	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H+Na"	23.996494
"1056895"	281.101156666667	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2H+Na"	25.00377
"1262947"	851.333186	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+CH3OH+H"	33.033486
"384803"	1675.562558	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+K"	38.963158
"745797"	2493.862258	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+K"	38.963158
"1546753"	857.262858	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+K"	38.963158
"305022"	838.284917	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+H+K"	39.970434
"694161"	1247.434767	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+H+K"	39.970434
"1450171"	429.135067	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H+K"	39.970434
"236948"	1678.633226	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+ACN+H"	42.033826
"1210747"	860.333526	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+ACN+H"	42.033826
"1194275"	430.670401	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+ACN+2H"	43.041102
"189072"	1681.57056	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+2Na-H"	44.97116
"628673"	2499.87026	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+2Na-H"	44.97116
"1131468"	863.27086	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2Na-H"	44.97116
"175321"	841.288918	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+2Na"	45.978436
"614149"	1250.438768	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+2Na"	45.978436
"1121305"	432.139068	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2Na"	45.978436
"1405922"	288.428470666667	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H+2Na"	46.985712
"1439863"	865.312446	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H+HCOOH"	47.012746
"232476"	846.32194	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+3H2O+2H"	56.04448
"1520539"	879.36449	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+IsoProp+H"	61.06479
"417313"	849.275888	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+Na+K"	61.952376
"771383"	1258.425738	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+Na+K"	61.952376
"1671725"	440.126038	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Na+K"	61.952376
"259338"	1700.615168	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+ACN+Na"	64.015768
"1230225"	882.315468	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+ACN+Na"	64.015768
"1720935"	882.338993	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+NH4+HCOOH"	64.039293
"1187020"	295.755784666667	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+3Na"	68.967654
"1658375"	887.294388	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Na+HCOOH"	68.994688
"165960"	1713.51844	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+2K-H"	76.91904
"605888"	2531.81814	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+2K-H"	76.91904
"1096234"	895.21874	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2K-H"	76.91904
"151955"	857.262858	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"2M+2K"	77.926316
"586412"	1266.412708	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"3M+2K"	77.926316
"1077485"	448.113008	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2K"	77.926316
"1103043"	897.233292	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2K+H"	78.933592
"1337241"	897.320907	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+DMSO+H"	79.021207
"1006862"	901.360076	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2ACN+H"	83.060376
"1529361"	902.353708	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+IsoProp+Na+H"	84.054008
"997998"	451.183676	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+2ACN+2H"	84.067652
"1595782"	903.268328	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+K+HCOOH"	84.968628
"1426545"	933.299838	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+H+CF3COOH"	115.000138
"1161207"	471.696951	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+3ACN+2H"	125.094202
"1701277"	950.326385	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+NH4+CF3COOH"	132.026685
"1648602"	955.28178	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+Na+CF3COOH"	136.98208
"1584615"	971.25572	"C12386"	"Premithramycin A3"	"C40H50O18"	"818.2997"	"M+K+CF3COOH"	152.95602
"815712"	832.3154	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M"	0
"986330"	813.29701	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-H2O-H"	-19.01839
"76759"	553.869657333333	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M-3H"	-3.021828
"517049"	831.308124	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M-3H"	-3.021828
"889747"	276.431190666667	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-3H"	-3.021828
"9416"	831.308124	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M-2H"	-2.014552
"447882"	1247.465824	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M-2H"	-2.014552
"819123"	415.150424	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-2H"	-2.014552
"84582"	1663.623524	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M-H"	-1.007276
"524144"	2495.938924	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M-H"	-1.007276
"897207"	831.308124	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-H"	-1.007276
"54133"	1680.650071	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M-2H+NH4"	16.019271
"494786"	2512.965471	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M-2H+NH4"	16.019271
"870401"	848.334671	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-2H+NH4"	16.019271
"35021"	1685.605466	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M-2H+Na"	20.974666
"472512"	2517.920866	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M-2H+Na"	20.974666
"855666"	853.290066	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-2H+Na"	20.974666
"1629576"	853.290066	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Na-2H"	20.974666
"103917"	849.296463	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M-H+Cl"	33.962126
"546759"	1265.454163	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M-H+Cl"	33.962126
"936990"	433.138763	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-H+Cl"	33.962126
"273369"	1699.600202	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+Cl"	34.969402
"665786"	2531.915602	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+Cl"	34.969402
"1277100"	867.284802	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Cl"	34.969402
"22938"	1701.579406	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M-2H+K"	36.948606
"463592"	2533.894806	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M-2H+K"	36.948606
"840300"	869.264006	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-2H+K"	36.948606
"1567071"	869.264006	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+K-2H"	36.948606
"953495"	877.313594	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-H+HCOOH"	44.998194
"372804"	1709.629001	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+HCOOH-H"	44.998201
"348666"	1723.644651	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+Hac-H"	59.013851
"1498587"	891.329251	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Hac-H"	59.013851
"963588"	899.295551	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-H+NaCOOH"	66.980151
"114682"	867.284802	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+2Cl"	69.938804
"551693"	1283.442502	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+2Cl"	69.938804
"1023408"	451.127102	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2Cl"	69.938804
"1242619"	911.234285	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Br"	78.918885
"1306892"	913.290272	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Cl+HCOOH"	80.974872
"1323293"	935.272229	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Cl+NaCOOH"	102.956829
"912532"	945.300986	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M-H+CF3COOH"	112.985586
"1293618"	981.277664	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Cl+CF3COOH"	148.962264
"1377248"	797.302724	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H-2H2O"	-35.012676
"1383807"	815.3127	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H-H2O"	-17.0027
"286776"	1665.638076	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+H"	1.007276
"676281"	2497.953476	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+H"	1.007276
"1351897"	833.322676	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H"	1.007276
"126000"	833.322676	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+2H"	2.014552
"566046"	1249.480376	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+2H"	2.014552
"1038253"	417.164976	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2H"	2.014552
"204570"	555.884209333333	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+3H"	3.021828
"649728"	833.322676	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+3H"	3.021828
"1173327"	278.445742666667	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+3H"	3.021828
"431497"	1682.664623	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+NH4"	18.033823
"792125"	2514.980023	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+NH4"	18.033823
"1689550"	850.349223	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+NH4"	18.033823
"342207"	841.8359495	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+H+NH4"	19.041099
"727338"	1257.9936495	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+H+NH4"	19.041099
"1487355"	425.6782495	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H+NH4"	19.041099
"397287"	1687.620018	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+Na"	22.989218
"767032"	2519.935418	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+Na"	22.989218
"1615131"	855.304618	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Na"	22.989218
"328448"	844.313647	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+H+Na"	23.996494
"720145"	1260.471347	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+H+Na"	23.996494
"1472506"	428.155947	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H+Na"	23.996494
"1064294"	285.773056666667	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2H+Na"	25.00377
"1269618"	865.348886	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+CH3OH+H"	33.033486
"389654"	1703.593958	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+K"	38.963158
"749186"	2535.909358	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+K"	38.963158
"1545769"	871.278558	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+K"	38.963158
"302945"	852.300617	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+H+K"	39.970434
"694634"	1268.458317	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+H+K"	39.970434
"1446023"	436.142917	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H+K"	39.970434
"238879"	1706.664626	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+ACN+H"	42.033826
"1210207"	874.349226	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+ACN+H"	42.033826
"1194249"	437.678251	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+ACN+2H"	43.041102
"188662"	1709.60196	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+2Na-H"	44.97116
"628563"	2541.91736	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+2Na-H"	44.97116
"1132986"	877.28656	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2Na-H"	44.97116
"173351"	855.304618	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+2Na"	45.978436
"613773"	1271.462318	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+2Na"	45.978436
"1121780"	439.146918	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2Na"	45.978436
"1405668"	293.100370666667	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H+2Na"	46.985712
"1440338"	879.328146	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H+HCOOH"	47.012746
"233315"	860.33764	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+3H2O+2H"	56.04448
"1521014"	893.38019	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+IsoProp+H"	61.06479
"419610"	863.291588	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+Na+K"	61.952376
"774773"	1279.449288	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+Na+K"	61.952376
"1674751"	447.133888	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Na+K"	61.952376
"262364"	1728.646568	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+ACN+Na"	64.015768
"1236168"	896.331168	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+ACN+Na"	64.015768
"1718493"	896.354693	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+NH4+HCOOH"	64.039293
"1186764"	300.427684666667	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+3Na"	68.967654
"1659939"	901.310088	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Na+HCOOH"	68.994688
"163883"	1741.54984	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+2K-H"	76.91904
"608185"	2573.86524	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+2K-H"	76.91904
"1097437"	909.23444	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2K-H"	76.91904
"152065"	871.278558	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"2M+2K"	77.926316
"586522"	1287.436258	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"3M+2K"	77.926316
"1077595"	455.120858	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2K"	77.926316
"1107526"	911.248992	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2K+H"	78.933592
"1340631"	911.336607	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+DMSO+H"	79.021207
"1009159"	915.375776	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2ACN+H"	83.060376
"1531658"	916.369408	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+IsoProp+Na+H"	84.054008
"1001024"	458.191526	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+2ACN+2H"	84.067652
"1598808"	917.284028	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+K+HCOOH"	84.968628
"1425925"	947.315538	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+H+CF3COOH"	115.000138
"1161561"	478.704801	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+3ACN+2H"	125.094202
"1701387"	964.342085	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+NH4+CF3COOH"	132.026685
"1648712"	969.29748	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+Na+CF3COOH"	136.98208
"1584725"	985.27142	"C12387"	"Premithramycin A3"	"C41H52O18"	"832.3154"	"M+K+CF3COOH"	152.95602
"813999"	1092.4414	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M"	0
"984253"	1073.42301	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-H2O-H"	-19.01839
"71402"	727.286990666667	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M-3H"	-3.021828
"514242"	1091.434124	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M-3H"	-3.021828
"888763"	363.139857333333	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-3H"	-3.021828
"291"	1091.434124	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M-2H"	-2.014552
"441796"	1637.654824	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M-2H"	-2.014552
"817524"	545.213424	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-2H"	-2.014552
"81412"	2183.875524	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M-H"	-1.007276
"521338"	3276.316924	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M-H"	-1.007276
"897317"	1091.434124	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-H"	-1.007276
"52056"	2200.902071	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M-2H+NH4"	16.019271
"492709"	3293.343471	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M-2H+NH4"	16.019271
"867231"	1108.460671	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-2H+NH4"	16.019271
"35252"	2205.857466	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M-2H+Na"	20.974666
"472745"	3298.298866	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M-2H+Na"	20.974666
"853588"	1113.416066	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-2H+Na"	20.974666
"1630779"	1113.416066	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Na-2H"	20.974666
"99654"	1109.422463	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M-H+Cl"	33.962126
"541400"	1655.643163	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M-H+Cl"	33.962126
"936006"	563.201763	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-H+Cl"	33.962126
"273479"	2219.852202	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+Cl"	34.969402
"663710"	3312.293602	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+Cl"	34.969402
"1279396"	1127.410802	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Cl"	34.969402
"21955"	2221.831406	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M-2H+K"	36.948606
"463702"	3314.272806	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M-2H+K"	36.948606
"840410"	1129.390006	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-2H+K"	36.948606
"1562807"	1129.390006	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+K-2H"	36.948606
"950688"	1137.439594	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-H+HCOOH"	44.998194
"369633"	2229.881001	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+HCOOH-H"	44.998201
"349139"	2243.896651	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+Hac-H"	59.013851
"1497968"	1151.455251	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Hac-H"	59.013851
"963323"	1159.421551	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-H+NaCOOH"	66.980151
"116969"	1127.410802	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+2Cl"	69.938804
"550588"	1673.631502	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+2Cl"	69.938804
"1022055"	581.190102	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2Cl"	69.938804
"1242725"	1171.360285	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Br"	78.918885
"1305180"	1173.416272	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Cl+HCOOH"	80.974872
"1324130"	1195.398229	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Cl+NaCOOH"	102.956829
"912277"	1205.426986	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M-H+CF3COOH"	112.985586
"1293728"	1241.403664	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Cl+CF3COOH"	148.962264
"1378451"	1057.428724	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H-2H2O"	-35.012676
"1383190"	1075.4387	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H-H2O"	-17.0027
"284699"	2185.890076	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+H"	1.007276
"676390"	3278.331476	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+H"	1.007276
"1351642"	1093.448676	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H"	1.007276
"126108"	1093.448676	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+2H"	2.014552
"566153"	1639.669376	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+2H"	2.014552
"1038355"	547.227976	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2H"	2.014552
"209182"	729.301542666667	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+3H"	3.021828
"650934"	1093.448676	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+3H"	3.021828
"1173437"	365.154409333333	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+3H"	3.021828
"432700"	2202.916623	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+NH4"	18.033823
"792235"	3295.358023	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+NH4"	18.033823
"1687838"	1110.475223	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+NH4"	18.033823
"335390"	1101.9619495	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+H+NH4"	19.041099
"731457"	1648.1826495	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+H+NH4"	19.041099
"1490746"	555.7412495	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H+NH4"	19.041099
"402865"	2207.872018	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+Na"	22.989218
"766051"	3300.313418	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+Na"	22.989218
"1614148"	1115.430618	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Na"	22.989218
"325279"	1104.439647	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+H+Na"	23.996494
"719890"	1650.660347	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+H+Na"	23.996494
"1470429"	558.218947	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H+Na"	23.996494
"1061488"	372.481723333333	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2H+Na"	25.00377
"1268633"	1125.474886	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+CH3OH+H"	33.033486
"389035"	2223.845958	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+K"	38.963158
"747109"	3316.287358	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+K"	38.963158
"1543692"	1131.404558	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+K"	38.963158
"300137"	1112.426617	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+H+K"	39.970434
"692557"	1658.647317	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+H+K"	39.970434
"1446375"	566.205917	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H+K"	39.970434
"237895"	2226.916626	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+ACN+H"	42.033826
"1212060"	1134.475226	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+ACN+H"	42.033826
"1194886"	567.741251	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+ACN+2H"	43.041102
"189539"	2229.85396	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+2Na-H"	44.97116
"629100"	3322.29536	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+2Na-H"	44.97116
"1134797"	1137.41256	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2Na-H"	44.97116
"174684"	1115.430618	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+2Na"	45.978436
"615464"	1661.651318	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+2Na"	45.978436
"1115927"	569.209918	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2Na"	45.978436
"1401766"	379.809037333333	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H+2Na"	46.985712
"1432181"	1139.454146	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H+HCOOH"	47.012746
"234521"	1120.46364	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+3H2O+2H"	56.04448
"1521488"	1153.50619	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+IsoProp+H"	61.06479
"420815"	1123.417588	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+Na+K"	61.952376
"775613"	1669.638288	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+Na+K"	61.952376
"1674861"	577.196888	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Na+K"	61.952376
"262474"	2248.898568	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+ACN+Na"	64.015768
"1233361"	1156.457168	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+ACN+Na"	64.015768
"1720062"	1156.480693	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+NH4+HCOOH"	64.039293
"1181770"	387.136351333333	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+3Na"	68.967654
"1658226"	1161.436088	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Na+HCOOH"	68.994688
"161077"	2261.80184	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+2K-H"	76.91904
"607566"	3354.24324	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+2K-H"	76.91904
"1097183"	1169.36044	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2K-H"	76.91904
"149258"	1131.404558	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"2M+2K"	77.926316
"587725"	1677.625258	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"3M+2K"	77.926316
"1077704"	585.183858	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2K"	77.926316
"1106543"	1171.374992	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2K+H"	78.933592
"1339648"	1171.462607	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+DMSO+H"	79.021207
"1009269"	1175.501776	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2ACN+H"	83.060376
"1529582"	1176.495408	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+IsoProp+Na+H"	84.054008
"1001498"	588.254526	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+2ACN+2H"	84.067652
"1598189"	1177.410028	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+K+HCOOH"	84.968628
"1426035"	1207.441538	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+H+CF3COOH"	115.000138
"1162159"	608.767801	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+3ACN+2H"	125.094202
"1699311"	1224.468085	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+NH4+CF3COOH"	132.026685
"1649189"	1229.42348	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+Na+CF3COOH"	136.98208
"1584835"	1245.39742	"C12388"	"Premithramycin B"	"C53H72O24"	"1092.4414"	"M+K+CF3COOH"	152.95602
"814109"	1084.4727	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M"	0
"979988"	1065.45431	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-H2O-H"	-19.01839
"70419"	721.974524	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M-3H"	-3.021828
"513259"	1083.465424	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M-3H"	-3.021828
"888873"	360.483624	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-3H"	-3.021828
"1982"	1083.465424	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M-2H"	-2.014552
"441542"	1625.701774	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M-2H"	-2.014552
"817760"	541.229074	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-2H"	-2.014552
"81522"	2167.938124	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M-H"	-1.007276
"524364"	3252.410824	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M-H"	-1.007276
"897427"	1083.465424	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-H"	-1.007276
"51073"	2184.964671	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M-2H+NH4"	16.019271
"489539"	3269.437371	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M-2H+NH4"	16.019271
"864909"	1100.491971	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-2H+NH4"	16.019271
"35241"	2189.920066	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M-2H+Na"	20.974666
"475893"	3274.392766	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M-2H+Na"	20.974666
"853698"	1105.447366	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-2H+Na"	20.974666
"1626515"	1105.447366	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Na-2H"	20.974666
"101951"	1101.453763	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M-H+Cl"	33.962126
"540416"	1643.690113	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M-H+Cl"	33.962126
"933930"	559.217413	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-H+Cl"	33.962126
"276869"	2203.914802	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+Cl"	34.969402
"664914"	3288.387502	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+Cl"	34.969402
"1279506"	1119.442102	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Cl"	34.969402
"22065"	2205.894006	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M-2H+K"	36.948606
"461624"	3290.366706	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M-2H+K"	36.948606
"840520"	1121.421306	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-2H+K"	36.948606
"1564012"	1121.421306	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+K-2H"	36.948606
"948610"	1129.470894	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-H+HCOOH"	44.998194
"369013"	2213.943601	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+HCOOH-H"	44.998201
"348884"	2227.959251	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+Hac-H"	59.013851
"1499171"	1143.486551	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Hac-H"	59.013851
"961976"	1151.452851	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-H+NaCOOH"	66.980151
"113800"	1119.442102	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+2Cl"	69.938804
"551428"	1661.678452	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+2Cl"	69.938804
"1022289"	577.205752	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2Cl"	69.938804
"1242109"	1163.391585	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Br"	78.918885
"1305896"	1165.447572	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Cl+HCOOH"	80.974872
"1322418"	1187.429529	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Cl+NaCOOH"	102.956829
"912752"	1197.458286	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M-H+CF3COOH"	112.985586
"1293838"	1233.434964	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Cl+CF3COOH"	148.962264
"1380384"	1049.460024	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H-2H2O"	-35.012676
"1384030"	1067.47	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H-H2O"	-17.0027
"285904"	2169.952676	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+H"	1.007276
"678326"	3254.425376	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+H"	1.007276
"1352485"	1085.479976	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H"	1.007276
"126463"	1085.479976	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+2H"	2.014552
"566265"	1627.716326	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+2H"	2.014552
"1037329"	543.243626	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2H"	2.014552
"207834"	723.989076	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+3H"	3.021828
"651044"	1085.479976	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+3H"	3.021828
"1174640"	362.498176	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+3H"	3.021828
"432080"	2186.979223	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+NH4"	18.033823
"796721"	3271.451923	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+NH4"	18.033823
"1691959"	1102.506523	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+NH4"	18.033823
"340237"	1093.9932495	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+H+NH4"	19.041099
"733750"	1636.2295995	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+H+NH4"	19.041099
"1486475"	551.7568995	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H+NH4"	19.041099
"400783"	2191.934618	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+Na"	22.989218
"757404"	3276.407318	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+Na"	22.989218
"1608785"	1107.461918	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Na"	22.989218
"317726"	1096.470947	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+H+Na"	23.996494
"709056"	1638.707297	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+H+Na"	23.996494
"1465064"	554.234597	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H+Na"	23.996494
"1058307"	369.82549	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2H+Na"	25.00377
"1263265"	1117.506186	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+CH3OH+H"	33.033486
"380751"	2207.908558	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+K"	38.963158
"741746"	3292.381258	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+K"	38.963158
"1543798"	1123.435858	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+K"	38.963158
"304254"	1104.457917	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+H+K"	39.970434
"691649"	1646.694267	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+H+K"	39.970434
"1447214"	562.221567	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H+K"	39.970434
"239094"	2210.979226	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+ACN+H"	42.033826
"1213260"	1126.506526	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+ACN+H"	42.033826
"1198965"	563.756901	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+ACN+2H"	43.041102
"189644"	2213.91656	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+2Na-H"	44.97116
"628719"	3298.38926	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+2Na-H"	44.97116
"1131859"	1129.44386	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2Na-H"	44.97116
"173067"	1107.461918	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+2Na"	45.978436
"614601"	1649.698268	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+2Na"	45.978436
"1116522"	565.225568	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2Na"	45.978436
"1401876"	377.152804	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H+2Na"	46.985712
"1433627"	1131.485446	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H+HCOOH"	47.012746
"234629"	1112.49494	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+3H2O+2H"	56.04448
"1523423"	1145.53749	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+IsoProp+H"	61.06479
"419828"	1115.448888	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+Na+K"	61.952376
"777547"	1657.685238	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+Na+K"	61.952376
"1673876"	573.212538	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Na+K"	61.952376
"261490"	2232.961168	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+ACN+Na"	64.015768
"1234564"	1148.488468	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+ACN+Na"	64.015768
"1720535"	1148.511993	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+NH4+HCOOH"	64.039293
"1181880"	384.480118	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+3Na"	68.967654
"1656147"	1153.467388	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Na+HCOOH"	68.994688
"164103"	2245.86444	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+2K-H"	76.91904
"604760"	3330.33714	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+2K-H"	76.91904
"1097293"	1161.39174	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2K-H"	76.91904
"148275"	1123.435858	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"2M+2K"	77.926316
"586742"	1665.672208	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"3M+2K"	77.926316
"1077814"	581.199508	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2K"	77.926316
"1106653"	1163.406292	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2K+H"	78.933592
"1339758"	1163.493907	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+DMSO+H"	79.021207
"1008286"	1167.533076	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2ACN+H"	83.060376
"1531879"	1168.526708	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+IsoProp+Na+H"	84.054008
"1001974"	584.270176	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+2ACN+2H"	84.067652
"1600121"	1169.441328	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+K+HCOOH"	84.968628
"1423957"	1199.472838	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+H+CF3COOH"	115.000138
"1156433"	604.783451	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+3ACN+2H"	125.094202
"1700514"	1216.499385	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+NH4+CF3COOH"	132.026685
"1649296"	1221.45478	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+Na+CF3COOH"	136.98208
"1584945"	1237.42872	"C12389"	"Mithramycin;Plicamycin"	"C52H76O24"	"1084.4727"	"M+K+CF3COOH"	152.95602
"814219"	320.0685	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M"	0
"976818"	301.05011	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-H2O-H"	-19.01839
"71622"	212.371724	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M-3H"	-3.021828
"513369"	319.061224	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M-3H"	-3.021828
"885702"	105.682224	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-3H"	-3.021828
"2456"	319.061224	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M-2H"	-2.014552
"442745"	479.095474	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M-2H"	-2.014552
"817345"	159.026974	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-2H"	-2.014552
"83819"	639.129724	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M-H"	-1.007276
"521558"	959.198224	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M-H"	-1.007276
"901546"	319.061224	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-H"	-1.007276
"52276"	656.156271	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M-2H+NH4"	16.019271
"489649"	976.224771	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M-2H+NH4"	16.019271
"867451"	336.087771	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-2H+NH4"	16.019271
"34255"	661.111666	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M-2H+Na"	20.974666
"478190"	981.180166	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M-2H+Na"	20.974666
"851621"	341.043166	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-2H+Na"	20.974666
"1627718"	341.043166	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Na-2H"	20.974666
"103154"	337.049563	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M-H+Cl"	33.962126
"540526"	497.083813	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M-H+Cl"	33.962126
"934040"	177.015313	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-H+Cl"	33.962126
"278434"	675.106402	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+Cl"	34.969402
"663931"	995.174902	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+Cl"	34.969402
"1277430"	355.037902	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Cl"	34.969402
"23260"	677.085606	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M-2H+K"	36.948606
"462093"	997.154106	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M-2H+K"	36.948606
"835522"	357.017106	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-2H+K"	36.948606
"1558283"	357.017106	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+K-2H"	36.948606
"947627"	365.066694	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-H+HCOOH"	44.998194
"363655"	685.135201	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+HCOOH-H"	44.998201
"347539"	699.150851	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+Hac-H"	59.013851
"1496002"	379.082351	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Hac-H"	59.013851
"961357"	387.048651	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-H+NaCOOH"	66.980151
"113910"	355.037902	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+2Cl"	69.938804
"557844"	515.072152	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+2Cl"	69.938804
"1027738"	195.003652	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2Cl"	69.938804
"1242219"	398.987385	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Br"	78.918885
"1306852"	401.043372	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Cl+HCOOH"	80.974872
"1326170"	423.025329	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Cl+NaCOOH"	102.956829
"911766"	433.054086	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M-H+CF3COOH"	112.985586
"1293948"	469.030764	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Cl+CF3COOH"	148.962264
"1380858"	285.055824	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H-2H2O"	-35.012676
"1384504"	303.0658	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H-H2O"	-17.0027
"287108"	641.144276	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+H"	1.007276
"678436"	961.212776	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+H"	1.007276
"1352959"	321.075776	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H"	1.007276
"125962"	321.075776	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+2H"	2.014552
"565889"	481.110026	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+2H"	2.014552
"1037600"	161.041526	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2H"	2.014552
"206119"	214.386276	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+3H"	3.021828
"646044"	321.075776	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+3H"	3.021828
"1165628"	107.696776	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+3H"	3.021828
"434739"	658.170823	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+NH4"	18.033823
"797922"	978.239323	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+NH4"	18.033823
"1689880"	338.102323	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+NH4"	18.033823
"339251"	329.5890495	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+H+NH4"	19.041099
"730577"	489.6232995	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+H+NH4"	19.041099
"1482210"	169.5547995	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H+NH4"	19.041099
"397613"	663.126218	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+Na"	22.989218
"756784"	983.194718	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+Na"	22.989218
"1608895"	343.057718	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Na"	22.989218
"318930"	332.066747	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+H+Na"	23.996494
"710260"	492.100997	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+H+Na"	23.996494
"1464081"	172.032497	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H+Na"	23.996494
"1058419"	115.02409	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2H+Na"	25.00377
"1261190"	353.101986	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+CH3OH+H"	33.033486
"380861"	679.100158	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+K"	38.963158
"742949"	999.168658	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+K"	38.963158
"1547188"	359.031658	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+K"	38.963158
"305457"	340.053717	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+H+K"	39.970434
"692410"	500.087967	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+H+K"	39.970434
"1447688"	180.019467	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H+K"	39.970434
"239206"	682.170826	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+ACN+H"	42.033826
"1213738"	362.102326	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+ACN+H"	42.033826
"1198348"	181.554801	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+ACN+2H"	43.041102
"189066"	685.10816	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+2Na-H"	44.97116
"628548"	1005.17666	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+2Na-H"	44.97116
"1131497"	365.03966	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2Na-H"	44.97116
"173567"	343.057718	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+2Na"	45.978436
"613018"	503.091968	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+2Na"	45.978436
"1115642"	183.023468	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2Na"	45.978436
"1401985"	122.351404	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H+2Na"	46.985712
"1433008"	367.081246	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H+HCOOH"	47.012746
"232187"	348.09074	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+3H2O+2H"	56.04448
"1521344"	381.13329	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+IsoProp+H"	61.06479
"421031"	351.044688	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+Na+K"	61.952376
"779114"	511.078938	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+Na+K"	61.952376
"1673986"	191.010438	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Na+K"	61.952376
"259412"	704.152768	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+ACN+Na"	64.015768
"1234310"	384.084268	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+ACN+Na"	64.015768
"1719917"	384.107793	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+NH4+HCOOH"	64.039293
"1181990"	129.678718	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+3Na"	68.967654
"1655529"	389.063188	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Na+HCOOH"	68.994688
"164213"	717.05604	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+2K-H"	76.91904
"603776"	1037.12454	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+2K-H"	76.91904
"1097767"	396.98754	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2K-H"	76.91904
"149478"	359.031658	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"2M+2K"	77.926316
"583691"	519.065908	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"3M+2K"	77.926316
"1073549"	198.997408	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2K"	77.926316
"1106763"	399.002092	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2K+H"	78.933592
"1338166"	399.089707	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+DMSO+H"	79.021207
"1008396"	403.128876	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2ACN+H"	83.060376
"1530895"	404.122508	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+IsoProp+Na+H"	84.054008
"1000624"	202.068076	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+2ACN+2H"	84.067652
"1594033"	405.037128	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+K+HCOOH"	84.968628
"1422974"	435.068638	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+H+CF3COOH"	115.000138
"1157636"	222.581351	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+3ACN+2H"	125.094202
"1700624"	452.095185	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+NH4+CF3COOH"	132.026685
"1649406"	457.05058	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+Na+CF3COOH"	136.98208
"1585055"	473.02452	"C12390"	"Dehydrorabelomycin"	"C19H12O5"	"320.0685"	"M+K+CF3COOH"	152.95602
"815915"	306.0528	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M"	0
"984583"	287.03441	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-H2O-H"	-19.01839
"70639"	203.027924	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M-3H"	-3.021828
"514574"	305.045524	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M-3H"	-3.021828
"887999"	101.010324	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-3H"	-3.021828
"2202"	305.045524	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M-2H"	-2.014552
"441762"	458.071924	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M-2H"	-2.014552
"822844"	152.019124	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-2H"	-2.014552
"83930"	611.098324	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M-H"	-1.007276
"522397"	917.151124	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M-H"	-1.007276
"902385"	305.045524	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-H"	-1.007276
"58221"	628.124871	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M-2H+NH4"	16.019271
"497418"	934.177671	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M-2H+NH4"	16.019271
"876314"	322.072071	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-2H+NH4"	16.019271
"43485"	633.080266	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M-2H+Na"	20.974666
"480487"	939.133066	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M-2H+Na"	20.974666
"858294"	327.027466	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-2H+Na"	20.974666
"1627464"	327.027466	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Na-2H"	20.974666
"102171"	323.033863	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M-H+Cl"	33.962126
"540636"	476.060263	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M-H+Cl"	33.962126
"935243"	170.007463	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-H+Cl"	33.962126
"277085"	647.075002	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+Cl"	34.969402
"663310"	953.127802	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+Cl"	34.969402
"1278265"	341.022202	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Cl"	34.969402
"25556"	649.054206	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M-2H+K"	36.948606
"460016"	955.107006	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M-2H+K"	36.948606
"834904"	343.001406	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-2H+K"	36.948606
"1558758"	343.001406	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+K-2H"	36.948606
"946643"	351.050994	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-H+HCOOH"	44.998194
"363762"	657.103801	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+HCOOH-H"	44.998201
"349833"	671.119451	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+Hac-H"	59.013851
"1497569"	365.066651	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Hac-H"	59.013851
"962199"	373.032951	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-H+NaCOOH"	66.980151
"114025"	341.022202	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+2Cl"	69.938804
"556131"	494.048602	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+2Cl"	69.938804
"1028943"	187.995802	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2Cl"	69.938804
"1245242"	384.971685	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Br"	78.918885
"1306233"	387.027672	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Cl+HCOOH"	80.974872
"1325187"	409.009629	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Cl+NaCOOH"	102.956829
"911999"	419.038386	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M-H+CF3COOH"	112.985586
"1294058"	455.015064	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Cl+CF3COOH"	148.962264
"1379875"	271.040124	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H-2H2O"	-35.012676
"1384250"	289.0501	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H-H2O"	-17.0027
"287218"	613.112876	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+H"	1.007276
"678546"	919.165676	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+H"	1.007276
"1353800"	307.060076	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H"	1.007276
"125866"	307.060076	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+2H"	2.014552
"565913"	460.086476	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+2H"	2.014552
"1037590"	154.033676	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2H"	2.014552
"205865"	205.042476	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+3H"	3.021828
"647250"	307.060076	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+3H"	3.021828
"1163915"	103.024876	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+3H"	3.021828
"434849"	630.139423	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+NH4"	18.033823
"796938"	936.192223	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+NH4"	18.033823
"1688897"	324.086623	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+NH4"	18.033823
"339361"	315.5733495	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+H+NH4"	19.041099
"732876"	468.5997495	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+H+NH4"	19.041099
"1487788"	162.5469495	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H+NH4"	19.041099
"397723"	635.094818	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+Na"	22.989218
"759812"	941.147618	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+Na"	22.989218
"1611193"	329.042018	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Na"	22.989218
"319041"	318.051047	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+H+Na"	23.996494
"712558"	471.077447	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+H+Na"	23.996494
"1469659"	165.024647	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H+Na"	23.996494
"1056342"	110.35219	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2H+Na"	25.00377
"1262393"	339.086286	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+CH3OH+H"	33.033486
"380971"	651.068758	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+K"	38.963158
"741600"	957.121558	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+K"	38.963158
"1546206"	345.015958	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+K"	38.963158
"305567"	326.038017	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+H+K"	39.970434
"692159"	479.064417	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+H+K"	39.970434
"1445811"	173.011617	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H+K"	39.970434
"240410"	654.139426	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+ACN+H"	42.033826
"1212755"	348.086626	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+ACN+H"	42.033826
"1197730"	174.546951	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+ACN+2H"	43.041102
"189142"	657.07676	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+2Na-H"	44.97116
"629796"	963.12956	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+2Na-H"	44.97116
"1133658"	351.02396	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2Na-H"	44.97116
"174039"	329.042018	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+2Na"	45.978436
"616151"	482.068418	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+2Na"	45.978436
"1122576"	176.015618	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2Na"	45.978436
"1398641"	117.679504	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H+2Na"	46.985712
"1431657"	353.065546	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H+HCOOH"	47.012746
"220498"	334.07504	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+3H2O+2H"	56.04448
"1520726"	367.11759	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+IsoProp+H"	61.06479
"420045"	337.028988	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+Na+K"	61.952376
"774850"	490.055388	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+Na+K"	61.952376
"1670815"	184.002588	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Na+K"	61.952376
"257700"	676.121368	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+ACN+Na"	64.015768
"1233327"	370.068568	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+ACN+Na"	64.015768
"1718934"	370.092093	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+NH4+HCOOH"	64.039293
"1181736"	125.006818	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+3Na"	68.967654
"1655639"	375.047488	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Na+HCOOH"	68.994688
"163230"	689.02464	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+2K-H"	76.91904
"604979"	995.07744	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+2K-H"	76.91904
"1097513"	382.97184	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2K-H"	76.91904
"150681"	345.015958	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"2M+2K"	77.926316
"589148"	498.042358	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"3M+2K"	77.926316
"1078034"	191.989558	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2K"	77.926316
"1110520"	384.986392	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2K+H"	78.933592
"1339978"	385.074007	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+DMSO+H"	79.021207
"1012881"	389.113176	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2ACN+H"	83.060376
"1534287"	390.106808	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+IsoProp+Na+H"	84.054008
"1002194"	195.060226	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+2ACN+2H"	84.067652
"1602164"	391.021428	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+K+HCOOH"	84.968628
"1428552"	421.052938	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+H+CF3COOH"	115.000138
"1161756"	215.573501	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+3ACN+2H"	125.094202
"1706202"	438.079485	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+NH4+CF3COOH"	132.026685
"1649395"	443.03488	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+Na+CF3COOH"	136.98208
"1585165"	459.00882	"C12391"	"Kinobscurinone;49-Dihydroxy-2-methyl-11H-benzobfluorene-51011-trione"	"C18H10O5"	"306.0528"	"M+K+CF3COOH"	152.95602
"814447"	307.0845	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M"	0
"988708"	288.06611	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-H2O-H"	-19.01839
"76220"	203.715724	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M-3H"	-3.021828
"517848"	306.077224	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M-3H"	-3.021828
"890302"	101.354224	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-3H"	-3.021828
"15080"	306.077224	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M-2H"	-2.014552
"455248"	459.619474	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M-2H"	-2.014552
"826239"	152.534974	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-2H"	-2.014552
"88054"	613.161724	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M-H"	-1.007276
"522874"	920.246224	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M-H"	-1.007276
"904687"	306.077224	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-H"	-1.007276
"57240"	630.188271	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M-2H+NH4"	16.019271
"501421"	937.272771	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M-2H+NH4"	16.019271
"877887"	323.103771	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-2H+NH4"	16.019271
"44937"	635.143666	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M-2H+Na"	20.974666
"484861"	942.228166	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M-2H+Na"	20.974666
"861690"	328.059166	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-2H+Na"	20.974666
"1632317"	328.059166	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Na-2H"	20.974666
"105566"	324.065563	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M-H+Cl"	33.962126
"546220"	477.607813	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M-H+Cl"	33.962126
"929532"	170.523313	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-H+Cl"	33.962126
"273922"	649.138402	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+Cl"	34.969402
"663430"	956.222902	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+Cl"	34.969402
"1280935"	342.053902	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Cl"	34.969402
"23492"	651.117606	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M-2H+K"	36.948606
"466334"	958.202106	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M-2H+K"	36.948606
"836481"	344.033106	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-2H+K"	36.948606
"1565436"	344.033106	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+K-2H"	36.948606
"956966"	352.082694	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-H+HCOOH"	44.998194
"372629"	659.167201	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+HCOOH-H"	44.998201
"356513"	673.182851	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+Hac-H"	59.013851
"1498783"	366.098351	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Hac-H"	59.013851
"960129"	374.064651	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-H+NaCOOH"	66.980151
"119608"	342.053902	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+2Cl"	69.938804
"554794"	495.596152	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+2Cl"	69.938804
"1023593"	188.511652	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2Cl"	69.938804
"1243171"	386.003385	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Br"	78.918885
"1314372"	388.059372	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Cl+HCOOH"	80.974872
"1333332"	410.041329	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Cl+NaCOOH"	102.956829
"924025"	420.070086	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M-H+CF3COOH"	112.985586
"1302559"	456.046764	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Cl+CF3COOH"	148.962264
"1379627"	272.071824	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H-2H2O"	-35.012676
"1390924"	290.0818	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H-H2O"	-17.0027
"291705"	615.176276	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+H"	1.007276
"680846"	922.260776	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+H"	1.007276
"1351847"	308.091776	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H"	1.007276
"126437"	308.091776	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+2H"	2.014552
"567822"	461.634026	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+2H"	2.014552
"1045006"	154.549526	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2H"	2.014552
"209627"	205.730276	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+3H"	3.021828
"659402"	308.091776	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+3H"	3.021828
"1177160"	103.368776	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+3H"	3.021828
"433870"	632.202823	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+NH4"	18.033823
"795960"	939.287323	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+NH4"	18.033823
"1687917"	325.118323	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+NH4"	18.033823
"343853"	316.6050495	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+H+NH4"	19.041099
"729710"	470.1472995	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+H+NH4"	19.041099
"1491189"	163.0627995	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H+NH4"	19.041099
"406587"	637.158218	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+Na"	22.989218
"766490"	944.242718	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+Na"	22.989218
"1611303"	330.073718	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Na"	22.989218
"324624"	319.082747	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+H+Na"	23.996494
"715952"	472.624997	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+H+Na"	23.996494
"1474147"	165.540497	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H+Na"	23.996494
"1059737"	110.69609	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2H+Na"	25.00377
"1261416"	340.117986	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+CH3OH+H"	33.033486
"383273"	653.132158	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+K"	38.963158
"747549"	960.216658	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+K"	38.963158
"1544129"	346.047658	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+K"	38.963158
"304587"	327.069717	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+H+K"	39.970434
"698099"	480.611967	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+H+K"	39.970434
"1450826"	173.527467	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H+K"	39.970434
"240521"	656.202826	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+ACN+H"	42.033826
"1215418"	349.118326	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+ACN+H"	42.033826
"1197112"	175.062801	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+ACN+2H"	43.041102
"190348"	659.14016	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+2Na-H"	44.97116
"629542"	966.22466	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+2Na-H"	44.97116
"1135965"	352.05566	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2Na-H"	44.97116
"176339"	330.073718	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+2Na"	45.978436
"613469"	483.615968	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+2Na"	45.978436
"1116857"	176.531468	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2Na"	45.978436
"1398632"	118.023404	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H+2Na"	46.985712
"1430674"	354.097246	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H+HCOOH"	47.012746
"231310"	335.10674	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+3H2O+2H"	56.04448
"1522662"	368.14929	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+IsoProp+H"	61.06479
"421981"	338.060688	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+Na+K"	61.952376
"776781"	491.602938	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+Na+K"	61.952376
"1669833"	184.518438	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Na+K"	61.952376
"259632"	678.184768	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+ACN+Na"	64.015768
"1232341"	371.100268	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+ACN+Na"	64.015768
"1715032"	371.123793	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+NH4+HCOOH"	64.039293
"1179048"	125.350718	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+3Na"	68.967654
"1653197"	376.079188	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Na+HCOOH"	68.994688
"161154"	691.08804	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+2K-H"	76.91904
"601807"	998.17254	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+2K-H"	76.91904
"1093979"	384.00354	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2K-H"	76.91904
"148970"	346.047658	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"2M+2K"	77.926316
"588895"	499.589908	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"3M+2K"	77.926316
"1078510"	192.505408	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2K"	77.926316
"1105890"	386.018092	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2K+H"	78.933592
"1336925"	386.105707	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+DMSO+H"	79.021207
"1007522"	390.144876	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2ACN+H"	83.060376
"1532574"	391.138508	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+IsoProp+Na+H"	84.054008
"1001209"	195.576076	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+2ACN+2H"	84.067652
"1598993"	392.053128	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+K+HCOOH"	84.968628
"1427204"	422.084638	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+H+CF3COOH"	115.000138
"1162475"	216.089351	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+3ACN+2H"	125.094202
"1706312"	439.111185	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+NH4+CF3COOH"	132.026685
"1649262"	444.06658	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+Na+CF3COOH"	136.98208
"1585275"	460.04052	"C12392"	"Stealthin C"	"C18H13NO4"	"307.0845"	"M+K+CF3COOH"	152.95602
"812363"	318.0641	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M"	0
"984803"	299.04571	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-H2O-H"	-19.01839
"74139"	211.035457333333	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M-3H"	-3.021828
"517716"	317.056824	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M-3H"	-3.021828
"890412"	105.014090666667	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-3H"	-3.021828
"15470"	317.056824	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M-2H"	-2.014552
"451464"	476.088874	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M-2H"	-2.014552
"826349"	158.024774	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-2H"	-2.014552
"93637"	635.120924	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M-H"	-1.007276
"525900"	953.185024	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M-H"	-1.007276
"905890"	317.056824	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-H"	-1.007276
"61240"	652.147471	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M-2H+NH4"	16.019271
"500923"	970.211571	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M-2H+NH4"	16.019271
"877875"	334.083371	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-2H+NH4"	16.019271
"45168"	657.102866	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M-2H+Na"	20.974666
"484733"	975.166966	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M-2H+Na"	20.974666
"860706"	339.038766	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-2H+Na"	20.974666
"1631334"	339.038766	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Na-2H"	20.974666
"106769"	335.045163	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M-H+Cl"	33.962126
"547302"	494.077213	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M-H+Cl"	33.962126
"932197"	176.013113	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-H+Cl"	33.962126
"275126"	671.097602	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+Cl"	34.969402
"669738"	989.161702	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+Cl"	34.969402
"1284327"	353.033502	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Cl"	34.969402
"23603"	673.076806	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M-2H+K"	36.948606
"468632"	991.140906	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M-2H+K"	36.948606
"843882"	355.012706	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-2H+K"	36.948606
"1567737"	355.012706	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+K-2H"	36.948606
"956712"	363.062294	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-H+HCOOH"	44.998194
"374562"	681.126401	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+HCOOH-H"	44.998201
"356624"	695.142051	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+Hac-H"	59.013851
"1495615"	377.077951	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Hac-H"	59.013851
"965342"	385.044251	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-H+NaCOOH"	66.980151
"117531"	353.033502	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+2Cl"	69.938804
"554904"	512.065552	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+2Cl"	69.938804
"1023703"	194.001452	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2Cl"	69.938804
"1244009"	396.982985	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Br"	78.918885
"1314482"	399.038972	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Cl+HCOOH"	80.974872
"1333809"	421.020929	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Cl+NaCOOH"	102.956829
"924870"	431.049686	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M-H+CF3COOH"	112.985586
"1301944"	467.026364	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Cl+CF3COOH"	148.962264
"1380468"	283.051424	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H-2H2O"	-35.012676
"1393222"	301.0614	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H-H2O"	-17.0027
"291816"	637.135476	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+H"	1.007276
"677676"	955.199576	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+H"	1.007276
"1352320"	319.071376	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H"	1.007276
"127399"	319.071376	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+2H"	2.014552
"569755"	478.103426	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+2H"	2.014552
"1041836"	160.039326	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2H"	2.014552
"209737"	213.050009333333	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+3H"	3.021828
"659758"	319.071376	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+3H"	3.021828
"1176542"	107.028642666667	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+3H"	3.021828
"436167"	654.162023	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+NH4"	18.033823
"794977"	972.226123	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+NH4"	18.033823
"1696535"	336.097923	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+NH4"	18.033823
"345301"	327.5846495	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+H+NH4"	19.041099
"734925"	486.6166995	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+H+NH4"	19.041099
"1491909"	168.5525995	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H+NH4"	19.041099
"406334"	659.117418	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+Na"	22.989218
"764412"	977.181518	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+Na"	22.989218
"1613604"	341.053318	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Na"	22.989218
"327290"	330.062347	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+H+Na"	23.996494
"720077"	489.094397	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+H+Na"	23.996494
"1473532"	171.030297	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H+Na"	23.996494
"1060942"	114.355956666667	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2H+Na"	25.00377
"1265901"	351.097586	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+CH3OH+H"	33.033486
"388853"	675.091358	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+K"	38.963158
"748753"	993.155458	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+K"	38.963158
"1542055"	357.027258	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+K"	38.963158
"302511"	338.049317	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+H+K"	39.970434
"697117"	497.081367	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+H+K"	39.970434
"1449844"	179.017267	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H+K"	39.970434
"239175"	678.162026	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+ACN+H"	42.033826
"1211271"	360.097926	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+ACN+H"	42.033826
"1198316"	180.552601	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+ACN+2H"	43.041102
"190458"	681.09936	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+2Na-H"	44.97116
"629775"	999.16346	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+2Na-H"	44.97116
"1139355"	363.03526	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2Na-H"	44.97116
"175355"	341.053318	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+2Na"	45.978436
"614191"	500.085368	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+2Na"	45.978436
"1116964"	182.021268	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2Na"	45.978436
"1398663"	121.683270666667	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H+2Na"	46.985712
"1430456"	365.076846	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H+HCOOH"	47.012746
"224859"	346.08634	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+3H2O+2H"	56.04448
"1523787"	379.12889	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+IsoProp+H"	61.06479
"421727"	349.040288	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+Na+K"	61.952376
"776894"	508.072338	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+Na+K"	61.952376
"1672129"	190.008238	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Na+K"	61.952376
"257557"	700.143968	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+ACN+Na"	64.015768
"1233545"	382.079868	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+ACN+Na"	64.015768
"1716965"	382.103393	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+NH4+HCOOH"	64.039293
"1183412"	129.010584666667	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+3Na"	68.967654
"1653309"	387.058788	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Na+HCOOH"	68.994688
"161264"	713.04724	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+2K-H"	76.91904
"598635"	1031.11134	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+2K-H"	76.91904
"1091898"	394.98314	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2K-H"	76.91904
"148714"	357.027258	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"2M+2K"	77.926316
"589733"	516.059308	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"3M+2K"	77.926316
"1076796"	197.995208	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2K"	77.926316
"1103814"	396.997692	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2K+H"	78.933592
"1337280"	397.085307	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+DMSO+H"	79.021207
"1015287"	401.124476	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2ACN+H"	83.060376
"1537059"	402.118108	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+IsoProp+Na+H"	84.054008
"1000591"	201.065876	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+2ACN+2H"	84.067652
"1600198"	403.032728	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+K+HCOOH"	84.968628
"1427314"	433.064238	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+H+CF3COOH"	115.000138
"1162613"	221.579151	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+3ACN+2H"	125.094202
"1706422"	450.090785	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+NH4+CF3COOH"	132.026685
"1649615"	455.04618	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+Na+CF3COOH"	136.98208
"1585385"	471.02012	"C12393"	"Prekinamycin"	"C18H10N2O4"	"318.0641"	"M+K+CF3COOH"	152.95602
"815752"	454.1012	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M"	0
"979445"	435.08281	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-H2O-H"	-19.01839
"74249"	301.726857333333	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M-3H"	-3.021828
"516362"	453.093924	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M-3H"	-3.021828
"890516"	150.359790666667	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-3H"	-3.021828
"10190"	453.093924	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M-2H"	-2.014552
"450844"	680.144524	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M-2H"	-2.014552
"826459"	226.043324	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-2H"	-2.014552
"93865"	907.195124	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M-H"	-1.007276
"526010"	1361.296324	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M-H"	-1.007276
"906000"	453.093924	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-H"	-1.007276
"58189"	924.221671	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M-2H+NH4"	16.019271
"497749"	1378.322871	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M-2H+NH4"	16.019271
"876645"	470.120471	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-2H+NH4"	16.019271
"45641"	929.177066	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M-2H+Na"	20.974666
"486300"	1383.278266	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M-2H+Na"	20.974666
"859723"	475.075866	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-2H+Na"	20.974666
"1631444"	475.075866	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Na-2H"	20.974666
"106878"	471.082263	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M-H+Cl"	33.962126
"545346"	698.132863	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M-H+Cl"	33.962126
"937774"	244.031663	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-H+Cl"	33.962126
"277422"	943.171802	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+Cl"	34.969402
"673128"	1397.273002	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+Cl"	34.969402
"1286623"	489.070602	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Cl"	34.969402
"30641"	945.151006	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M-2H+K"	36.948606
"469474"	1399.252206	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M-2H+K"	36.948606
"847273"	491.049806	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-2H+K"	36.948606
"1568941"	491.049806	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+K-2H"	36.948606
"954633"	499.099394	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-H+HCOOH"	44.998194
"372849"	953.200601	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+HCOOH-H"	44.998201
"358920"	967.216251	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+Hac-H"	59.013851
"1502285"	513.115051	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Hac-H"	59.013851
"962172"	521.081351	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-H+NaCOOH"	66.980151
"120922"	489.070602	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+2Cl"	69.938804
"552098"	716.121202	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+2Cl"	69.938804
"1024906"	262.020002	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2Cl"	69.938804
"1246671"	533.020085	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Br"	78.918885
"1314594"	535.076072	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Cl+HCOOH"	80.974872
"1333919"	557.058029	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Cl+NaCOOH"	102.956829
"925343"	567.086786	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M-H+CF3COOH"	112.985586
"1302781"	603.063464	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Cl+CF3COOH"	148.962264
"1379483"	419.088524	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H-2H2O"	-35.012676
"1387865"	437.0985	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H-H2O"	-17.0027
"290832"	909.209676	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+H"	1.007276
"676813"	1363.310876	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+H"	1.007276
"1352309"	455.108476	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H"	1.007276
"126164"	455.108476	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+2H"	2.014552
"566939"	682.159076	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+2H"	2.014552
"1040120"	228.057876	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2H"	2.014552
"207658"	303.741409333333	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+3H"	3.021828
"659872"	455.108476	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+3H"	3.021828
"1178232"	152.374342666667	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+3H"	3.021828
"435184"	926.236223	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+NH4"	18.033823
"795087"	1380.337423	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+NH4"	18.033823
"1696810"	472.135023	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+NH4"	18.033823
"345168"	463.6217495	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+H+NH4"	19.041099
"736492"	690.6723495	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+H+NH4"	19.041099
"1492701"	236.5711495	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H+NH4"	19.041099
"407901"	931.191618	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+Na"	22.989218
"767802"	1385.292818	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+Na"	22.989218
"1613714"	477.090418	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Na"	22.989218
"328858"	466.099447	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+H+Na"	23.996494
"720187"	693.150047	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+H+Na"	23.996494
"1474370"	239.048847	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H+Na"	23.996494
"1061052"	159.701656666667	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2H+Na"	25.00377
"1268199"	487.134686	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+CH3OH+H"	33.033486
"388598"	947.165558	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+K"	38.963158
"747770"	1401.266758	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+K"	38.963158
"1546539"	493.064358	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+K"	38.963158
"304808"	474.086417	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+H+K"	39.970434
"700507"	701.137017	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+H+K"	39.970434
"1452141"	247.035817	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H+K"	39.970434
"238555"	950.236226	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+ACN+H"	42.033826
"1210654"	496.135026	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+ACN+H"	42.033826
"1198426"	248.571151	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+ACN+2H"	43.041102
"190568"	953.17356	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+2Na-H"	44.97116
"632316"	1407.27476	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+2Na-H"	44.97116
"1136185"	499.07236	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2Na-H"	44.97116
"176560"	477.090418	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+2Na"	45.978436
"614301"	704.141018	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+2Na"	45.978436
"1121088"	250.039818	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2Na"	45.978436
"1403153"	167.028970666667	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H+2Na"	46.985712
"1430894"	501.113946	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H+HCOOH"	47.012746
"224969"	482.12344	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+3H2O+2H"	56.04448
"1523776"	515.16599	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+IsoProp+H"	61.06479
"422929"	485.077388	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+Na+K"	61.952376
"779190"	712.127988	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+Na+K"	61.952376
"1672239"	258.026788	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Na+K"	61.952376
"257667"	972.218168	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+ACN+Na"	64.015768
"1235843"	518.116968	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+ACN+Na"	64.015768
"1722910"	518.140493	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+NH4+HCOOH"	64.039293
"1183887"	174.356284666667	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+3Na"	68.967654
"1658886"	523.095888	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Na+HCOOH"	68.994688
"167207"	985.12144	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+2K-H"	76.91904
"608223"	1439.22264	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+2K-H"	76.91904
"1094925"	531.02024	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2K-H"	76.91904
"152106"	493.064358	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"2M+2K"	77.926316
"593125"	720.114958	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"3M+2K"	77.926316
"1079822"	266.013758	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2K"	77.926316
"1107204"	533.034792	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2K+H"	78.933592
"1343587"	533.122407	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+DMSO+H"	79.021207
"1014304"	537.161576	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2ACN+H"	83.060376
"1538266"	538.155208	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+IsoProp+Na+H"	84.054008
"1004596"	269.084426	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+2ACN+2H"	84.067652
"1601405"	539.069828	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+K+HCOOH"	84.968628
"1429251"	569.101338	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+H+CF3COOH"	115.000138
"1162456"	289.597701	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+3ACN+2H"	125.094202
"1709813"	586.127885	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+NH4+CF3COOH"	132.026685
"1644378"	591.08328	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+Na+CF3COOH"	136.98208
"1585495"	607.05722	"C12394"	"Kinamycin D"	"C22H18N2O9"	"454.1012"	"M+K+CF3COOH"	152.95602
"811489"	549.1999	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M"	0
"977368"	530.18151	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-H2O-H"	-19.01839
"72172"	365.125990666667	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M-3H"	-3.021828
"516836"	548.192624	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M-3H"	-3.021828
"887346"	182.059357333333	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-3H"	-3.021828
"14310"	548.192624	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M-2H"	-2.014552
"449860"	822.792574	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M-2H"	-2.014552
"825476"	273.592674	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-2H"	-2.014552
"93976"	1097.392524	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M-H"	-1.007276
"526120"	1646.592424	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M-H"	-1.007276
"906110"	548.192624	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-H"	-1.007276
"61458"	1114.419071	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M-2H+NH4"	16.019271
"498953"	1663.618971	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M-2H+NH4"	16.019271
"876391"	565.219171	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-2H+NH4"	16.019271
"45629"	1119.374466	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M-2H+Na"	20.974666
"486043"	1668.574366	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M-2H+Na"	20.974666
"858739"	570.174566	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-2H+Na"	20.974666
"1631553"	570.174566	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Na-2H"	20.974666
"105895"	566.180963	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M-H+Cl"	33.962126
"543269"	840.780913	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M-H+Cl"	33.962126
"931323"	291.581013	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-H+Cl"	33.962126
"276439"	1133.369202	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+Cl"	34.969402
"668865"	1682.569102	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+Cl"	34.969402
"1280173"	584.169302	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Cl"	34.969402
"23823"	1135.348406	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M-2H+K"	36.948606
"468853"	1684.548306	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M-2H+K"	36.948606
"847747"	586.148506	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-2H+K"	36.948606
"1570871"	586.148506	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+K-2H"	36.948606
"957902"	594.198094	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-H+HCOOH"	44.998194
"374052"	1143.398001	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+HCOOH-H"	44.998201
"359031"	1157.413651	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+Hac-H"	59.013851
"1499116"	608.213751	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Hac-H"	59.013851
"971030"	616.180051	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-H+NaCOOH"	66.980151
"124920"	584.169302	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+2Cl"	69.938804
"555124"	858.769252	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+2Cl"	69.938804
"1025016"	309.569352	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2Cl"	69.938804
"1244595"	628.118785	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Br"	78.918885
"1314704"	630.174772	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Cl+HCOOH"	80.974872
"1333301"	652.156729	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Cl+NaCOOH"	102.956829
"924724"	662.185486	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M-H+CF3COOH"	112.985586
"1300704"	698.162164	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Cl+CF3COOH"	148.962264
"1378136"	514.187224	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H-2H2O"	-35.012676
"1387975"	532.1972	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H-H2O"	-17.0027
"290942"	1099.407076	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+H"	1.007276
"676802"	1648.606976	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+H"	1.007276
"1353511"	550.207176	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H"	1.007276
"126399"	550.207176	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+2H"	2.014552
"567414"	824.807126	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+2H"	2.014552
"1039867"	275.607226	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2H"	2.014552
"206309"	367.140542666667	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+3H"	3.021828
"659909"	550.207176	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+3H"	3.021828
"1173481"	184.073909333333	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+3H"	3.021828
"437847"	1116.433623	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+NH4"	18.033823
"794104"	1665.633523	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+NH4"	18.033823
"1696268"	567.233723	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+NH4"	18.033823
"344548"	558.7204495	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+H+NH4"	19.041099
"733321"	833.3203995	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+H+NH4"	19.041099
"1489694"	284.1204995	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H+NH4"	19.041099
"403635"	1121.389018	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+Na"	22.989218
"760256"	1670.588918	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+Na"	22.989218
"1613824"	572.189118	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Na"	22.989218
"328965"	561.198147	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+H+Na"	23.996494
"722117"	835.798097	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+H+Na"	23.996494
"1475938"	286.598197	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H+Na"	23.996494
"1064444"	191.401223333333	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2H+Na"	25.00377
"1268673"	582.233386	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+CH3OH+H"	33.033486
"387979"	1137.362958	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+K"	38.963158
"751161"	1686.562858	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+K"	38.963158
"1546650"	588.163058	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+K"	38.963158
"309292"	569.185117	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+H+K"	39.970434
"699524"	843.785067	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+H+K"	39.970434
"1450428"	294.585167	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H+K"	39.970434
"236719"	1140.433626	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+ACN+H"	42.033826
"1210480"	591.233726	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+ACN+H"	42.033826
"1196350"	296.120501	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+ACN+2H"	43.041102
"194688"	1143.37096	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+2Na-H"	44.97116
"633155"	1692.57086	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+2Na-H"	44.97116
"1136295"	594.17106	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2Na-H"	44.97116
"174725"	572.189118	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+2Na"	45.978436
"615140"	846.789068	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+2Na"	45.978436
"1120104"	297.589168	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2Na"	45.978436
"1402172"	198.728537333333	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H+2Na"	46.985712
"1435382"	596.212646	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H+HCOOH"	47.012746
"226174"	577.22214	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+3H2O+2H"	56.04448
"1521893"	610.26469	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+IsoProp+H"	61.06479
"419392"	580.176088	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+Na+K"	61.952376
"778206"	854.776038	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+Na+K"	61.952376
"1673444"	305.576138	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Na+K"	61.952376
"256684"	1162.415568	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+ACN+Na"	64.015768
"1235954"	613.215668	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+ACN+Na"	64.015768
"1724843"	613.239193	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+NH4+HCOOH"	64.039293
"1183633"	206.055851333333	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+3Na"	68.967654
"1658632"	618.194588	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Na+HCOOH"	68.994688
"166588"	1175.31884	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+2K-H"	76.91904
"608699"	1724.51874	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+2K-H"	76.91904
"1094305"	626.11894	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2K-H"	76.91904
"153675"	588.163058	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"2M+2K"	77.926316
"591412"	862.763008	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"3M+2K"	77.926316
"1080661"	313.563108	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2K"	77.926316
"1104034"	628.133492	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2K+H"	78.933592
"1340417"	628.221107	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+DMSO+H"	79.021207
"1014414"	632.260276	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2ACN+H"	83.060376
"1536553"	633.253908	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+IsoProp+Na+H"	84.054008
"1004096"	316.633776	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+2ACN+2H"	84.067652
"1601636"	634.168528	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+K+HCOOH"	84.968628
"1428993"	664.200038	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+H+CF3COOH"	115.000138
"1161717"	337.147051	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+3ACN+2H"	125.094202
"1706643"	681.226585	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+NH4+CF3COOH"	132.026685
"1644488"	686.18198	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+Na+CF3COOH"	136.98208
"1579044"	702.15592	"C12395"	"Jadomycin B"	"C30H31NO9"	"549.1999"	"M+K+CF3COOH"	152.95602
"816461"	322.0841	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M"	0
"985133"	303.06571	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-H2O-H"	-19.01839
"72282"	213.715457333333	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M-3H"	-3.021828
"516215"	321.076824	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M-3H"	-3.021828
"887456"	106.354090666667	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-3H"	-3.021828
"15319"	321.076824	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M-2H"	-2.014552
"455241"	482.118874	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M-2H"	-2.014552
"825586"	160.034774	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-2H"	-2.014552
"93241"	643.160924	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M-H"	-1.007276
"533850"	965.245024	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M-H"	-1.007276
"910353"	321.076824	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-H"	-1.007276
"61205"	660.187471	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M-2H+NH4"	16.019271
"502774"	982.271571	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M-2H+NH4"	16.019271
"878811"	338.103371	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-2H+NH4"	16.019271
"45865"	665.142866	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M-2H+Na"	20.974666
"485673"	987.226966	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M-2H+Na"	20.974666
"862745"	343.058766	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-2H+Na"	20.974666
"1632030"	343.058766	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Na-2H"	20.974666
"107100"	339.065163	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M-H+Cl"	33.962126
"543379"	500.107213	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M-H+Cl"	33.962126
"937996"	178.023113	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-H+Cl"	33.962126
"278738"	679.137602	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+Cl"	34.969402
"670068"	1001.221702	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+Cl"	34.969402
"1283564"	357.053502	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Cl"	34.969402
"17373"	681.116806	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M-2H+K"	36.948606
"470056"	1003.200906	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M-2H+K"	36.948606
"847453"	359.032706	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-2H+K"	36.948606
"1568794"	359.032706	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+K-2H"	36.948606
"957040"	367.082294	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-H+HCOOH"	44.998194
"374162"	689.166401	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+HCOOH-H"	44.998201
"360232"	703.182051	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+Hac-H"	59.013851
"1501411"	381.097951	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Hac-H"	59.013851
"972841"	389.064251	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-H+NaCOOH"	66.980151
"117859"	357.053502	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+2Cl"	69.938804
"558514"	518.095552	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+2Cl"	69.938804
"1027314"	196.011452	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2Cl"	69.938804
"1247985"	401.002985	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Br"	78.918885
"1319764"	403.058972	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Cl+HCOOH"	80.974872
"1333777"	425.040929	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Cl+NaCOOH"	102.956829
"926293"	435.069686	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M-H+CF3COOH"	112.985586
"1303366"	471.046364	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Cl+CF3COOH"	148.962264
"1377517"	287.071424	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H-2H2O"	-35.012676
"1394646"	305.0814	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H-H2O"	-17.0027
"293241"	645.175476	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+H"	1.007276
"682383"	967.259576	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+H"	1.007276
"1362010"	323.091376	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H"	1.007276
"127607"	323.091376	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+2H"	2.014552
"570449"	484.133426	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+2H"	2.014552
"1039250"	162.049326	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2H"	2.014552
"208971"	215.730009333333	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+3H"	3.021828
"659113"	323.091376	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+3H"	3.021828
"1178089"	108.368642666667	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+3H"	3.021828
"437230"	662.202023	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+NH4"	18.033823
"795309"	984.286123	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+NH4"	18.033823
"1693463"	340.117923	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+NH4"	18.033823
"342834"	331.6046495	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+H+NH4"	19.041099
"734525"	492.6466995	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+H+NH4"	19.041099
"1489439"	170.5625995	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H+NH4"	19.041099
"402652"	667.157418	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+Na"	22.989218
"763648"	989.241518	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+Na"	22.989218
"1617344"	345.073318	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Na"	22.989218
"329082"	334.082347	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+H+Na"	23.996494
"721260"	495.124397	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+H+Na"	23.996494
"1476821"	173.040297	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H+Na"	23.996494
"1066741"	115.695956666667	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2H+Na"	25.00377
"1270607"	355.117586	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+CH3OH+H"	33.033486
"387725"	683.131358	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+K"	38.963158
"751271"	1005.215458	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+K"	38.963158
"1547854"	361.047258	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+K"	38.963158
"303936"	342.069317	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+H+K"	39.970434
"697450"	503.111367	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+H+K"	39.970434
"1448351"	181.027267	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H+K"	39.970434
"236588"	686.202026	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+ACN+H"	42.033826
"1212577"	364.117926	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+ACN+H"	42.033826
"1196460"	182.562601	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+ACN+2H"	43.041102
"192611"	689.13936	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+2Na-H"	44.97116
"632172"	1011.22346	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+2Na-H"	44.97116
"1135312"	367.05526	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2Na-H"	44.97116
"173860"	345.073318	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+2Na"	45.978436
"619627"	506.115368	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+2Na"	45.978436
"1123133"	184.031268	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2Na"	45.978436
"1403010"	123.023270666667	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H+2Na"	46.985712
"1434764"	369.096846	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H+HCOOH"	47.012746
"226284"	350.10634	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+3H2O+2H"	56.04448
"1522732"	383.14889	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+IsoProp+H"	61.06479
"420595"	353.060288	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+Na+K"	61.952376
"779409"	514.102338	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+Na+K"	61.952376
"1672460"	192.018238	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Na+K"	61.952376
"260075"	708.183968	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+ACN+Na"	64.015768
"1234971"	386.099868	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+ACN+Na"	64.015768
"1723131"	386.123393	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+NH4+HCOOH"	64.039293
"1188849"	130.350584666667	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+3Na"	68.967654
"1659837"	391.078788	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Na+HCOOH"	68.994688
"162685"	721.08724	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+2K-H"	76.91904
"600061"	1043.17134	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+2K-H"	76.91904
"1094415"	399.00314	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2K-H"	76.91904
"150867"	361.047258	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"2M+2K"	77.926316
"592615"	522.089308	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"3M+2K"	77.926316
"1080771"	200.005208	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2K"	77.926316
"1110704"	401.017692	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2K+H"	78.933592
"1340527"	401.105307	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+DMSO+H"	79.021207
"1014524"	405.144476	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2ACN+H"	83.060376
"1539459"	406.138108	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+IsoProp+Na+H"	84.054008
"1004935"	203.075876	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+2ACN+2H"	84.067652
"1601870"	407.052728	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+K+HCOOH"	84.968628
"1428989"	437.084238	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+H+CF3COOH"	115.000138
"1161948"	223.589151	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+3ACN+2H"	125.094202
"1712222"	454.110785	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+NH4+CF3COOH"	132.026685
"1644598"	459.06618	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+Na+CF3COOH"	136.98208
"1579154"	475.04012	"C12396"	"Tetrangomycin"	"C19H14O5"	"322.0841"	"M+K+CF3COOH"	152.95602
"813896"	304.0736	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M"	0
"976129"	285.05521	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-H2O-H"	-19.01839
"72392"	201.708457333333	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M-3H"	-3.021828
"513045"	303.066324	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M-3H"	-3.021828
"887566"	100.350590666667	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-3H"	-3.021828
"15145"	303.066324	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M-2H"	-2.014552
"455393"	455.103124	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M-2H"	-2.014552
"832429"	151.029524	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-2H"	-2.014552
"93919"	607.139924	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M-H"	-1.007276
"532539"	911.213524	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M-H"	-1.007276
"907424"	303.066324	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-H"	-1.007276
"59612"	624.166471	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M-2H+NH4"	16.019271
"501368"	928.240071	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M-2H+NH4"	16.019271
"876975"	320.092871	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-2H+NH4"	16.019271
"46669"	629.121866	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M-2H+Na"	20.974666
"486716"	933.195466	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M-2H+Na"	20.974666
"862976"	325.048266	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-2H+Na"	20.974666
"1632382"	325.048266	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Na-2H"	20.974666
"108182"	321.054663	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M-H+Cl"	33.962126
"542396"	473.091463	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M-H+Cl"	33.962126
"939195"	169.017863	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-H+Cl"	33.962126
"277755"	643.116602	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+Cl"	34.969402
"670177"	947.190202	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+Cl"	34.969402
"1283675"	339.043002	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Cl"	34.969402
"29148"	645.095806	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M-2H+K"	36.948606
"469071"	949.169406	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M-2H+K"	36.948606
"846873"	341.022206	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-2H+K"	36.948606
"1567080"	341.022206	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+K-2H"	36.948606
"956786"	349.071794	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-H+HCOOH"	44.998194
"374273"	653.145401	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+HCOOH-H"	44.998201
"351594"	667.161051	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+Hac-H"	59.013851
"1501521"	363.087451	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Hac-H"	59.013851
"971250"	371.053751	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-H+NaCOOH"	66.980151
"121249"	339.043002	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+2Cl"	69.938804
"558622"	491.079802	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+2Cl"	69.938804
"1027423"	187.006202	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2Cl"	69.938804
"1249187"	382.992485	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Br"	78.918885
"1317481"	385.048472	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Cl+HCOOH"	80.974872
"1334860"	407.030429	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Cl+NaCOOH"	102.956829
"926648"	417.059186	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M-H+CF3COOH"	112.985586
"1302380"	453.035864	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Cl+CF3COOH"	148.962264
"1377628"	269.060924	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H-2H2O"	-35.012676
"1395486"	287.0709	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H-H2O"	-17.0027
"295174"	609.154476	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+H"	1.007276
"684679"	913.228076	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+H"	1.007276
"1362120"	305.080876	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H"	1.007276
"128082"	305.080876	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+2H"	2.014552
"570195"	457.117676	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+2H"	2.014552
"1040452"	153.044076	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2H"	2.014552
"210904"	203.723009333333	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+3H"	3.021828
"658134"	305.080876	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+3H"	3.021828
"1176622"	102.365142666667	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+3H"	3.021828
"438679"	626.181023	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+NH4"	18.033823
"795419"	930.254623	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+NH4"	18.033823
"1693573"	322.107423	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+NH4"	18.033823
"342582"	313.5941495	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+H+NH4"	19.041099
"734272"	465.6309495	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+H+NH4"	19.041099
"1485175"	161.5573495	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H+NH4"	19.041099
"404948"	631.136418	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+Na"	22.989218
"765945"	935.210018	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+Na"	22.989218
"1614776"	327.062818	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Na"	22.989218
"328703"	316.071847	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+H+Na"	23.996494
"721123"	468.108647	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+H+Na"	23.996494
"1474702"	164.035047	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H+Na"	23.996494
"1067222"	109.692456666667	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2H+Na"	25.00377
"1269625"	337.107086	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+CH3OH+H"	33.033486
"391603"	647.110358	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+K"	38.963158
"750286"	951.183958	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+K"	38.963158
"1546871"	343.036758	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+K"	38.963158
"304048"	324.058817	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+H+K"	39.970434
"694281"	476.095617	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+H+K"	39.970434
"1448100"	172.022017	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H+K"	39.970434
"237792"	650.181026	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+ACN+H"	42.033826
"1212687"	346.107426	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+ACN+H"	42.033826
"1198394"	173.557351	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+ACN+2H"	43.041102
"190899"	653.11836	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+2Na-H"	44.97116
"631553"	957.19196	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+2Na-H"	44.97116
"1133600"	349.04476	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2Na-H"	44.97116
"176525"	327.062818	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+2Na"	45.978436
"617550"	479.099618	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+2Na"	45.978436
"1122149"	175.026018	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2Na"	45.978436
"1402756"	117.019770666667	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H+2Na"	46.985712
"1436696"	351.086346	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H+HCOOH"	47.012746
"226394"	332.09584	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+3H2O+2H"	56.04448
"1521749"	365.13839	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+IsoProp+H"	61.06479
"417425"	335.049788	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+Na+K"	61.952376
"782433"	487.086588	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+Na+K"	61.952376
"1674754"	183.012988	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Na+K"	61.952376
"261276"	672.162968	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+ACN+Na"	64.015768
"1232894"	368.089368	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+ACN+Na"	64.015768
"1721780"	368.112893	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+NH4+HCOOH"	64.039293
"1188229"	124.347084666667	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+3Na"	68.967654
"1658120"	373.068288	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Na+HCOOH"	68.994688
"159879"	685.06624	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+2K-H"	76.91904
"601264"	989.13984	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+2K-H"	76.91904
"1091246"	380.99264	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2K-H"	76.91904
"151341"	343.036758	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"2M+2K"	77.926316
"593089"	495.073558	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"3M+2K"	77.926316
"1082340"	190.999958	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2K"	77.926316
"1110814"	383.007192	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2K+H"	78.933592
"1343917"	383.094807	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+DMSO+H"	79.021207
"1017914"	387.133976	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2ACN+H"	83.060376
"1539771"	388.127608	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+IsoProp+Na+H"	84.054008
"1005413"	194.070626	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+2ACN+2H"	84.067652
"1601977"	389.042228	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+K+HCOOH"	84.968628
"1429340"	419.073738	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+H+CF3COOH"	115.000138
"1161692"	214.583901	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+3ACN+2H"	125.094202
"1712095"	436.100285	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+NH4+CF3COOH"	132.026685
"1644708"	441.05568	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+Na+CF3COOH"	136.98208
"1579264"	457.02962	"C12397"	"Tetrangulol"	"C19H12O4"	"304.0736"	"M+K+CF3COOH"	152.95602
"814006"	318.0892	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M"	0
"983166"	299.07081	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-H2O-H"	-19.01839
"72502"	211.052190666667	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M-3H"	-3.021828
"513155"	317.081924	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M-3H"	-3.021828
"890956"	105.022457333333	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-3H"	-3.021828
"15253"	317.081924	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M-2H"	-2.014552
"455176"	476.126524	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M-2H"	-2.014552
"832258"	158.037324	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-2H"	-2.014552
"93706"	635.171124	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M-H"	-1.007276
"533872"	953.260324	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M-H"	-1.007276
"910337"	317.081924	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-H"	-1.007276
"62612"	652.197671	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M-2H+NH4"	16.019271
"501841"	970.286871	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M-2H+NH4"	16.019271
"877085"	334.108471	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-2H+NH4"	16.019271
"46097"	657.153066	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M-2H+Na"	20.974666
"486464"	975.242266	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M-2H+Na"	20.974666
"863327"	339.063866	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-2H+Na"	20.974666
"1633631"	339.063866	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Na-2H"	20.974666
"109145"	335.070263	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M-H+Cl"	33.962126
"543599"	494.114863	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M-H+Cl"	33.962126
"937118"	176.025663	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-H+Cl"	33.962126
"277867"	671.147802	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+Cl"	34.969402
"671747"	989.237002	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+Cl"	34.969402
"1283422"	353.058602	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Cl"	34.969402
"28530"	673.127006	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M-2H+K"	36.948606
"469182"	991.216206	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M-2H+K"	36.948606
"845891"	355.037806	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-2H+K"	36.948606
"1566097"	355.037806	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+K-2H"	36.948606
"953981"	363.087394	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-H+HCOOH"	44.998194
"373290"	681.176601	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+HCOOH-H"	44.998201
"352798"	695.192251	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+Hac-H"	59.013851
"1501631"	377.103051	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Hac-H"	59.013851
"973183"	385.069351	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-H+NaCOOH"	66.980151
"120266"	353.058602	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+2Cl"	69.938804
"558732"	512.103202	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+2Cl"	69.938804
"1024250"	194.014002	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2Cl"	69.938804
"1243828"	397.008085	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Br"	78.918885
"1319377"	399.064072	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Cl+HCOOH"	80.974872
"1334241"	421.046029	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Cl+NaCOOH"	102.956829
"924690"	431.074786	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M-H+CF3COOH"	112.985586
"1302490"	467.051464	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Cl+CF3COOH"	148.962264
"1378831"	283.076524	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H-2H2O"	-35.012676
"1392680"	301.0865	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H-H2O"	-17.0027
"292366"	637.185676	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+H"	1.007276
"684788"	955.274876	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+H"	1.007276
"1366239"	319.096476	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H"	1.007276
"126125"	319.096476	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+2H"	2.014552
"569212"	478.141076	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+2H"	2.014552
"1045666"	160.051876	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2H"	2.014552
"209920"	213.066742666667	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+3H"	3.021828
"658610"	319.096476	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+3H"	3.021828
"1176857"	107.037009333333	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+3H"	3.021828
"438308"	654.212223	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+NH4"	18.033823
"799541"	972.301423	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+NH4"	18.033823
"1694050"	336.123023	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+NH4"	18.033823
"343422"	327.6097495	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+H+NH4"	19.041099
"736208"	486.6543495	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+H+NH4"	19.041099
"1485285"	168.5651495	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H+NH4"	19.041099
"403965"	659.167618	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+Na"	22.989218
"766786"	977.256818	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+Na"	22.989218
"1618056"	341.078418	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Na"	22.989218
"327965"	330.087447	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+H+Na"	23.996494
"721605"	489.132047	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+H+Na"	23.996494
"1476031"	171.042847	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H+Na"	23.996494
"1067821"	114.364323333333	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2H+Na"	25.00377
"1271928"	351.122686	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+CH3OH+H"	33.033486
"391591"	675.141558	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+K"	38.963158
"753558"	993.230758	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+K"	38.963158
"1552450"	357.052358	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+K"	38.963158
"308531"	338.074417	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+H+K"	39.970434
"697671"	497.119017	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+H+K"	39.970434
"1451488"	179.029817	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H+K"	39.970434
"238996"	678.212226	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+ACN+H"	42.033826
"1214984"	360.123026	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+ACN+H"	42.033826
"1201056"	180.565151	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+ACN+2H"	43.041102
"191010"	681.14956	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+2Na-H"	44.97116
"633851"	999.23876	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+2Na-H"	44.97116
"1138449"	363.06036	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2Na-H"	44.97116
"181738"	341.078418	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+2Na"	45.978436
"617660"	500.123018	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+2Na"	45.978436
"1122259"	182.033818	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2Na"	45.978436
"1402502"	121.691637333333	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H+2Na"	46.985712
"1436806"	365.101946	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H+HCOOH"	47.012746
"226504"	346.11144	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+3H2O+2H"	56.04448
"1521859"	379.15399	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+IsoProp+H"	61.06479
"416442"	349.065388	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+Na+K"	61.952376
"784368"	508.109988	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+Na+K"	61.952376
"1678145"	190.020788	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Na+K"	61.952376
"263573"	700.194168	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+ACN+Na"	64.015768
"1236282"	382.104968	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+ACN+Na"	64.015768
"1725170"	382.128493	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+NH4+HCOOH"	64.039293
"1189066"	129.018951333333	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+3Na"	68.967654
"1659323"	387.083888	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Na+HCOOH"	68.994688
"163998"	713.09744	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+2K-H"	76.91904
"605746"	1031.18664	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+2K-H"	76.91904
"1094635"	395.00824	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2K-H"	76.91904
"151450"	357.052358	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"2M+2K"	77.926316
"591011"	516.096958	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"3M+2K"	77.926316
"1082086"	198.007758	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2K"	77.926316
"1113114"	397.022792	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2K+H"	78.933592
"1346217"	397.110407	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+DMSO+H"	79.021207
"1019120"	401.149576	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2ACN+H"	83.060376
"1538341"	402.143208	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+IsoProp+Na+H"	84.054008
"1005279"	201.078426	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+2ACN+2H"	84.067652
"1602210"	403.057828	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+K+HCOOH"	84.968628
"1429210"	433.089338	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+H+CF3COOH"	115.000138
"1162048"	221.591701	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+3ACN+2H"	125.094202
"1711357"	450.115885	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+NH4+CF3COOH"	132.026685
"1644818"	455.07128	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+Na+CF3COOH"	136.98208
"1579374"	471.04522	"C12398"	"8-O-Methyltetrangulol"	"C20H14O4"	"318.0892"	"M+K+CF3COOH"	152.95602
"809743"	320.0685	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M"	0
"983274"	301.05011	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-H2O-H"	-19.01839
"69329"	212.371724	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M-3H"	-3.021828
"504517"	319.061224	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M-3H"	-3.021828
"881953"	105.682224	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-3H"	-3.021828
"15122"	319.061224	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M-2H"	-2.014552
"452488"	479.095474	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M-2H"	-2.014552
"832710"	159.026974	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-2H"	-2.014552
"94173"	639.129724	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M-H"	-1.007276
"534031"	959.198224	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M-H"	-1.007276
"911352"	319.061224	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-H"	-1.007276
"62716"	656.156271	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M-2H+NH4"	16.019271
"500365"	976.224771	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M-2H+NH4"	16.019271
"877195"	336.087771	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-2H+NH4"	16.019271
"46858"	661.111666	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M-2H+Na"	20.974666
"486740"	981.180166	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M-2H+Na"	20.974666
"863557"	341.043166	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-2H+Na"	20.974666
"1633458"	341.043166	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Na-2H"	20.974666
"109132"	337.049563	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M-H+Cl"	33.962126
"545896"	497.083813	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M-H+Cl"	33.962126
"937228"	177.015313	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-H+Cl"	33.962126
"276884"	675.106402	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+Cl"	34.969402
"670399"	995.174902	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+Cl"	34.969402
"1284989"	355.037902	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Cl"	34.969402
"27547"	677.085606	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M-2H+K"	36.948606
"469657"	997.154106	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M-2H+K"	36.948606
"844906"	357.017106	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-2H+K"	36.948606
"1564019"	357.017106	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+K-2H"	36.948606
"952995"	365.066694	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-H+HCOOH"	44.998194
"373400"	685.135201	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+HCOOH-H"	44.998201
"354001"	699.150851	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+Hac-H"	59.013851
"1500648"	379.082351	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Hac-H"	59.013851
"971470"	387.048651	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-H+NaCOOH"	66.980151
"120376"	355.037902	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+2Cl"	69.938804
"556656"	515.072152	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+2Cl"	69.938804
"1024360"	195.003652	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2Cl"	69.938804
"1245032"	398.987385	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Br"	78.918885
"1317337"	401.043372	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Cl+HCOOH"	80.974872
"1333741"	423.025329	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Cl+NaCOOH"	102.956829
"925163"	433.054086	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M-H+CF3COOH"	112.985586
"1299317"	469.030764	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Cl+CF3COOH"	148.962264
"1378575"	285.055824	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H-2H2O"	-35.012676
"1389509"	303.0658	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H-H2O"	-17.0027
"291382"	641.144276	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+H"	1.007276
"679794"	961.212776	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+H"	1.007276
"1359057"	321.075776	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H"	1.007276
"133042"	321.075776	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+2H"	2.014552
"572601"	481.110026	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+2H"	2.014552
"1045776"	161.041526	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2H"	2.014552
"209301"	214.386276	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+3H"	3.021828
"659408"	321.075776	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+3H"	3.021828
"1176113"	107.696776	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+3H"	3.021828
"439385"	658.170823	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+NH4"	18.033823
"798193"	978.239323	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+NH4"	18.033823
"1695982"	338.102323	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+NH4"	18.033823
"343894"	329.5890495	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+H+NH4"	19.041099
"736315"	489.6232995	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+H+NH4"	19.041099
"1484302"	169.5547995	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H+NH4"	19.041099
"404075"	663.126218	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+Na"	22.989218
"769083"	983.194718	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+Na"	22.989218
"1617919"	343.057718	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Na"	22.989218
"329535"	332.066747	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+H+Na"	23.996494
"722159"	492.100997	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+H+Na"	23.996494
"1476379"	172.032497	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H+Na"	23.996494
"1067927"	115.02409	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2H+Na"	25.00377
"1272565"	353.101986	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+CH3OH+H"	33.033486
"392595"	679.100158	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+K"	38.963158
"751965"	999.168658	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+K"	38.963158
"1548187"	359.031658	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+K"	38.963158
"308641"	340.053717	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+H+K"	39.970434
"699967"	500.087967	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+H+K"	39.970434
"1451598"	180.019467	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H+K"	39.970434
"238014"	682.170826	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+ACN+H"	42.033826
"1214002"	362.102326	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+ACN+H"	42.033826
"1204446"	181.554801	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+ACN+2H"	43.041102
"190755"	685.10816	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+2Na-H"	44.97116
"631774"	1005.17666	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+2Na-H"	44.97116
"1138195"	365.03966	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2Na-H"	44.97116
"180391"	343.057718	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+2Na"	45.978436
"617770"	503.091968	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+2Na"	45.978436
"1122369"	183.023468	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2Na"	45.978436
"1402612"	122.351404	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H+2Na"	46.985712
"1436916"	367.081246	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H+HCOOH"	47.012746
"226614"	348.09074	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+3H2O+2H"	56.04448
"1523673"	381.13329	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+IsoProp+H"	61.06479
"420927"	351.044688	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+Na+K"	61.952376
"781926"	511.078938	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+Na+K"	61.952376
"1678984"	191.010438	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Na+K"	61.952376
"265140"	704.152768	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+ACN+Na"	64.015768
"1237486"	384.084268	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+ACN+Na"	64.015768
"1723820"	384.107793	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+NH4+HCOOH"	64.039293
"1187353"	129.678718	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+3Na"	68.967654
"1658339"	389.063188	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Na+HCOOH"	68.994688
"161920"	717.05604	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+2K-H"	76.91904
"608043"	1037.12454	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+2K-H"	76.91904
"1096565"	396.98754	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2K-H"	76.91904
"151560"	359.031658	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"2M+2K"	77.926316
"591121"	519.065908	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"3M+2K"	77.926316
"1082682"	198.997408	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2K"	77.926316
"1108849"	399.002092	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2K+H"	78.933592
"1345234"	399.089707	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+DMSO+H"	79.021207
"1018137"	403.128876	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2ACN+H"	83.060376
"1539059"	404.122508	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+IsoProp+Na+H"	84.054008
"1005146"	202.068076	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+2ACN+2H"	84.067652
"1601469"	405.037128	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+K+HCOOH"	84.968628
"1429074"	435.068638	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+H+CF3COOH"	115.000138
"1161912"	222.581351	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+3ACN+2H"	125.094202
"1712195"	452.095185	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+NH4+CF3COOH"	132.026685
"1648939"	457.05058	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+Na+CF3COOH"	136.98208
"1586045"	473.02452	"C12399"	"19-Hydroxytetrangulol"	"C19H12O5"	"320.0685"	"M+K+CF3COOH"	152.95602
"813133"	334.0841	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M"	0
"983384"	315.06571	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-H2O-H"	-19.01839
"69439"	221.715457333333	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M-3H"	-3.021828
"506084"	333.076824	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M-3H"	-3.021828
"883520"	110.354090666667	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-3H"	-3.021828
"15434"	333.076824	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M-2H"	-2.014552
"452234"	500.118874	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M-2H"	-2.014552
"832556"	166.034774	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-2H"	-2.014552
"94093"	667.160924	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M-H"	-1.007276
"533890"	1001.245024	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M-H"	-1.007276
"911005"	333.076824	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-H"	-1.007276
"62748"	684.187471	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M-2H+NH4"	16.019271
"500232"	1018.271571	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M-2H+NH4"	16.019271
"879657"	350.103371	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-2H+NH4"	16.019271
"46790"	689.142866	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M-2H+Na"	20.974666
"485739"	1023.226966	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M-2H+Na"	20.974666
"864039"	355.058766	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-2H+Na"	20.974666
"1631010"	355.058766	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Na-2H"	20.974666
"105351"	351.065163	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M-H+Cl"	33.962126
"544911"	518.107213	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M-H+Cl"	33.962126
"938431"	184.023113	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-H+Cl"	33.962126
"279179"	703.137602	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+Cl"	34.969402
"667229"	1037.221702	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+Cl"	34.969402
"1280726"	369.053502	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Cl"	34.969402
"27656"	705.116806	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M-2H+K"	36.948606
"470130"	1039.200906	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M-2H+K"	36.948606
"846110"	371.032706	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-2H+K"	36.948606
"1566315"	371.032706	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+K-2H"	36.948606
"953105"	379.082294	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-H+HCOOH"	44.998194
"373510"	713.166401	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+HCOOH-H"	44.998201
"355204"	727.182051	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+Hac-H"	59.013851
"1502215"	393.097951	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Hac-H"	59.013851
"972673"	401.064251	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-H+NaCOOH"	66.980151
"120486"	369.053502	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+2Cl"	69.938804
"556766"	536.095552	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+2Cl"	69.938804
"1024470"	202.011452	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2Cl"	69.938804
"1245142"	413.002985	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Br"	78.918885
"1318534"	415.058972	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Cl+HCOOH"	80.974872
"1335311"	437.040929	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Cl+NaCOOH"	102.956829
"924545"	447.069686	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M-H+CF3COOH"	112.985586
"1301981"	483.046364	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Cl+CF3COOH"	148.962264
"1377592"	299.071424	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H-2H2O"	-35.012676
"1389619"	317.0814	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H-H2O"	-17.0027
"293679"	669.175476	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+H"	1.007276
"683913"	1003.259576	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+H"	1.007276
"1361354"	335.091376	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H"	1.007276
"133152"	335.091376	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+2H"	2.014552
"569066"	502.133426	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+2H"	2.014552
"1042606"	168.049326	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2H"	2.014552
"211599"	223.730009333333	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+3H"	3.021828
"657733"	335.091376	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+3H"	3.021828
"1176587"	112.368642666667	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+3H"	3.021828
"439130"	686.202023	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+NH4"	18.033823
"798303"	1020.286123	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+NH4"	18.033823
"1689894"	352.117923	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+NH4"	18.033823
"342546"	343.6046495	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+H+NH4"	19.041099
"736789"	510.6466995	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+H+NH4"	19.041099
"1485505"	176.5625995	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H+NH4"	19.041099
"399810"	691.157418	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+Na"	22.989218
"768346"	1025.241518	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+Na"	22.989218
"1618227"	357.073318	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Na"	22.989218
"329904"	346.082347	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+H+Na"	23.996494
"722759"	513.124397	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+H+Na"	23.996494
"1476859"	179.040297	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H+Na"	23.996494
"1067912"	119.695956666667	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2H+Na"	25.00377
"1272389"	367.117586	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+CH3OH+H"	33.033486
"392788"	707.131358	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+K"	38.963158
"752805"	1041.215458	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+K"	38.963158
"1554495"	373.047258	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+K"	38.963158
"312760"	354.069317	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+H+K"	39.970434
"703359"	521.111367	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+H+K"	39.970434
"1454989"	187.027267	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H+K"	39.970434
"243590"	710.202026	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+ACN+H"	42.033826
"1217392"	376.117926	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+ACN+H"	42.033826
"1207107"	188.562601	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+ACN+2H"	43.041102
"194145"	713.13936	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+2Na-H"	44.97116
"631883"	1047.22346	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+2Na-H"	44.97116
"1136481"	379.05526	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2Na-H"	44.97116
"180501"	357.073318	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+2Na"	45.978436
"617880"	524.115368	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+2Na"	45.978436
"1121386"	190.031268	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2Na"	45.978436
"1402722"	127.023270666667	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H+2Na"	46.985712
"1437026"	381.096846	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H+HCOOH"	47.012746
"227817"	362.10634	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+3H2O+2H"	56.04448
"1524153"	395.14889	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+IsoProp+H"	61.06479
"421036"	365.060288	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+Na+K"	61.952376
"783129"	532.102338	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+Na+K"	61.952376
"1680999"	198.018238	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Na+K"	61.952376
"264521"	732.183968	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+ACN+Na"	64.015768
"1238323"	398.099868	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+ACN+Na"	64.015768
"1724294"	398.123393	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+NH4+HCOOH"	64.039293
"1189286"	134.350584666667	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+3Na"	68.967654
"1659543"	403.078788	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Na+HCOOH"	68.994688
"165310"	745.08724	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+2K-H"	76.91904
"609247"	1079.17134	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+2K-H"	76.91904
"1095946"	411.00314	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2K-H"	76.91904
"151670"	373.047258	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"2M+2K"	77.926316
"589044"	540.089308	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"3M+2K"	77.926316
"1081212"	206.005208	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2K"	77.926316
"1113212"	413.017692	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2K+H"	78.933592
"1350205"	413.105307	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+DMSO+H"	79.021207
"1020801"	417.144476	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2ACN+H"	83.060376
"1538441"	418.138108	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+IsoProp+Na+H"	84.054008
"1005456"	209.075876	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+2ACN+2H"	84.067652
"1602430"	419.052728	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+K+HCOOH"	84.968628
"1429063"	449.084238	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+H+CF3COOH"	115.000138
"1162388"	229.589151	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+3ACN+2H"	125.094202
"1712184"	466.110785	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+NH4+CF3COOH"	132.026685
"1648320"	471.06618	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+Na+CF3COOH"	136.98208
"1586155"	487.04012	"C12400"	"19-Hydroxy-8-O-methyltetrangulol"	"C20H14O5"	"334.0841"	"M+K+CF3COOH"	152.95602
"813243"	368.0896	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M"	0
"983494"	349.07121	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-H2O-H"	-19.01839
"69549"	244.385790666667	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M-3H"	-3.021828
"504737"	367.082324	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M-3H"	-3.021828
"882538"	121.689257333333	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-3H"	-3.021828
"15504"	367.082324	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M-2H"	-2.014552
"452708"	551.127124	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M-2H"	-2.014552
"832782"	183.037524	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-2H"	-2.014552
"94258"	735.171924	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M-H"	-1.007276
"533798"	1103.261524	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M-H"	-1.007276
"911075"	367.082324	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-H"	-1.007276
"62772"	752.198471	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M-2H+NH4"	16.019271
"501559"	1120.288071	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M-2H+NH4"	16.019271
"878754"	384.108871	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-2H+NH4"	16.019271
"46413"	757.153866	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M-2H+Na"	20.974666
"485242"	1125.243466	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M-2H+Na"	20.974666
"863411"	389.064266	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-2H+Na"	20.974666
"1627839"	389.064266	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Na-2H"	20.974666
"104368"	385.070663	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M-H+Cl"	33.962126
"543926"	569.115463	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M-H+Cl"	33.962126
"937447"	201.025863	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-H+Cl"	33.962126
"280382"	771.148602	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+Cl"	34.969402
"670619"	1139.238202	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+Cl"	34.969402
"1283021"	403.059002	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Cl"	34.969402
"28494"	773.127806	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M-2H+K"	36.948606
"469877"	1141.217406	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M-2H+K"	36.948606
"846223"	405.038206	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-2H+K"	36.948606
"1566425"	405.038206	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+K-2H"	36.948606
"953215"	413.087794	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-H+HCOOH"	44.998194
"373620"	781.177401	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+HCOOH-H"	44.998201
"354221"	795.193051	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+Hac-H"	59.013851
"1502325"	427.103451	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Hac-H"	59.013851
"972055"	435.069751	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-H+NaCOOH"	66.980151
"120596"	403.059002	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+2Cl"	69.938804
"560157"	587.103802	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+2Cl"	69.938804
"1024581"	219.014202	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2Cl"	69.938804
"1245252"	447.008485	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Br"	78.918885
"1319373"	449.064472	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Cl+HCOOH"	80.974872
"1333232"	471.046429	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Cl+NaCOOH"	102.956829
"925384"	481.075186	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M-H+CF3COOH"	112.985586
"1302457"	517.051864	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Cl+CF3COOH"	148.962264
"1377701"	333.076924	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H-2H2O"	-35.012676
"1386813"	351.0869	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H-H2O"	-17.0027
"291602"	737.186476	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+H"	1.007276
"680743"	1105.276076	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+H"	1.007276
"1361464"	369.096876	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H"	1.007276
"133262"	369.096876	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+2H"	2.014552
"570634"	553.141676	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+2H"	2.014552
"1042716"	185.052076	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2H"	2.014552
"211709"	246.400342666667	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+3H"	3.021828
"658571"	369.096876	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+3H"	3.021828
"1178078"	123.703809333333	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+3H"	3.021828
"439606"	754.213023	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+NH4"	18.033823
"798413"	1122.302623	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+NH4"	18.033823
"1691097"	386.123423	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+NH4"	18.033823
"343387"	377.6101495	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+H+NH4"	19.041099
"737264"	561.6549495	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+H+NH4"	19.041099
"1485615"	193.5653495	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H+NH4"	19.041099
"401013"	759.168418	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+Na"	22.989218
"768577"	1127.258018	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+Na"	22.989218
"1617857"	391.078818	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Na"	22.989218
"329840"	380.087847	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+H+Na"	23.996494
"722625"	564.132647	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+H+Na"	23.996494
"1476362"	196.043047	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H+Na"	23.996494
"1067293"	131.031123333333	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2H+Na"	25.00377
"1272669"	401.123086	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+CH3OH+H"	33.033486
"391920"	775.142358	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+K"	38.963158
"753281"	1143.231958	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+K"	38.963158
"1553509"	407.052758	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+K"	38.963158
"311777"	388.074817	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+H+K"	39.970434
"702375"	572.119617	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+H+K"	39.970434
"1454006"	204.030017	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H+K"	39.970434
"243700"	778.213026	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+ACN+H"	42.033826
"1216409"	410.123426	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+ACN+H"	42.033826
"1205395"	205.565351	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+ACN+2H"	43.041102
"199358"	781.15036	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+2Na-H"	44.97116
"633816"	1149.23996	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+2Na-H"	44.97116
"1138414"	413.06076	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2Na-H"	44.97116
"180611"	391.078818	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+2Na"	45.978436
"617990"	575.123618	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+2Na"	45.978436
"1121496"	207.034018	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2Na"	45.978436
"1401739"	138.358437333333	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H+2Na"	46.985712
"1436043"	415.102346	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H+HCOOH"	47.012746
"224647"	396.11184	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+3H2O+2H"	56.04448
"1519274"	429.15439	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+IsoProp+H"	61.06479
"417866"	399.065788	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+Na+K"	61.952376
"785265"	583.110588	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+Na+K"	61.952376
"1678840"	215.020988	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Na+K"	61.952376
"264631"	800.194968	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+ACN+Na"	64.015768
"1238433"	432.105368	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+ACN+Na"	64.015768
"1725134"	432.128893	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+NH4+HCOOH"	64.039293
"1191219"	145.685751333333	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+3Na"	68.967654
"1658559"	437.084288	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Na+HCOOH"	68.994688
"165420"	813.09824	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+2K-H"	76.91904
"610086"	1181.18784	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+2K-H"	76.91904
"1094962"	445.00864	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2K-H"	76.91904
"151780"	407.052758	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"2M+2K"	77.926316
"589154"	591.097558	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"3M+2K"	77.926316
"1076946"	223.007958	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2K"	77.926316
"1109068"	447.023192	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2K+H"	78.933592
"1349707"	447.110807	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+DMSO+H"	79.021207
"1020302"	451.149976	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2ACN+H"	83.060376
"1539160"	452.143608	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+IsoProp+Na+H"	84.054008
"1005567"	226.078626	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+2ACN+2H"	84.067652
"1602505"	453.058228	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+K+HCOOH"	84.968628
"1429537"	483.089738	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+H+CF3COOH"	115.000138
"1162714"	246.591901	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+3ACN+2H"	125.094202
"1712696"	500.116285	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+NH4+CF3COOH"	132.026685
"1649402"	505.07168	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+Na+CF3COOH"	136.98208
"1586265"	521.04562	"C12401"	"PD116740"	"C20H16O7"	"368.0896"	"M+K+CF3COOH"	152.95602
"813353"	338.079	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M"	0
"983604"	319.06061	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-H2O-H"	-19.01839
"69659"	224.378724	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M-3H"	-3.021828
"505940"	337.071724	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M-3H"	-3.021828
"884835"	111.685724	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-3H"	-3.021828
"2321"	337.071724	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M-2H"	-2.014552
"450632"	506.111224	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M-2H"	-2.014552
"832206"	168.032224	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-2H"	-2.014552
"93657"	675.150724	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M-H"	-1.007276
"533096"	1013.229724	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M-H"	-1.007276
"910901"	337.071724	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-H"	-1.007276
"62355"	692.177271	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M-2H+NH4"	16.019271
"502033"	1030.256271	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M-2H+NH4"	16.019271
"878014"	354.098271	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-2H+NH4"	16.019271
"45063"	697.132666	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M-2H+Na"	20.974666
"480613"	1035.211666	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M-2H+Na"	20.974666
"858417"	359.053666	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-2H+Na"	20.974666
"1625763"	359.053666	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Na-2H"	20.974666
"102292"	355.060063	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M-H+Cl"	33.962126
"539662"	524.099563	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M-H+Cl"	33.962126
"934277"	186.020563	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-H+Cl"	33.962126
"277210"	711.127402	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+Cl"	34.969402
"667448"	1049.206402	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+Cl"	34.969402
"1274384"	373.048402	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Cl"	34.969402
"26782"	713.106606	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M-2H+K"	36.948606
"468526"	1051.185606	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M-2H+K"	36.948606
"846694"	375.027606	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-2H+K"	36.948606
"1565442"	375.027606	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+K-2H"	36.948606
"952232"	383.077194	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-H+HCOOH"	44.998194
"373730"	721.156201	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+HCOOH-H"	44.998201
"355424"	735.171851	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+Hac-H"	59.013851
"1502071"	397.092851	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Hac-H"	59.013851
"972894"	405.059151	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-H+NaCOOH"	66.980151
"120706"	373.048402	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+2Cl"	69.938804
"561360"	542.087902	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+2Cl"	69.938804
"1027971"	204.008902	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2Cl"	69.938804
"1245362"	416.997885	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Br"	78.918885
"1319484"	419.053872	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Cl+HCOOH"	80.974872
"1330791"	441.035829	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Cl+NaCOOH"	102.956829
"922943"	451.064586	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M-H+CF3COOH"	112.985586
"1301473"	487.041264	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Cl+CF3COOH"	148.962264
"1376718"	303.066324	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H-2H2O"	-35.012676
"1388746"	321.0763	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H-H2O"	-17.0027
"294629"	677.165276	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+H"	1.007276
"683040"	1015.244276	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+H"	1.007276
"1363761"	339.086276	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H"	1.007276
"133372"	339.086276	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+2H"	2.014552
"570744"	508.125776	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+2H"	2.014552
"1039545"	170.046776	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2H"	2.014552
"206716"	226.393276	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+3H"	3.021828
"649191"	339.086276	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+3H"	3.021828
"1174978"	113.700276	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+3H"	3.021828
"438254"	694.191823	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+NH4"	18.033823
"795971"	1032.270823	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+NH4"	18.033823
"1689019"	356.112823	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+NH4"	18.033823
"343496"	347.5995495	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+H+NH4"	19.041099
"736281"	516.6390495	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+H+NH4"	19.041099
"1484628"	178.5600495	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H+NH4"	19.041099
"398936"	699.147218	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+Na"	22.989218
"768564"	1037.226218	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+Na"	22.989218
"1617393"	361.068218	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Na"	22.989218
"327185"	350.077247	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+H+Na"	23.996494
"721430"	519.116747	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+H+Na"	23.996494
"1475982"	181.037747	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H+Na"	23.996494
"1067405"	121.02759	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2H+Na"	25.00377
"1272571"	371.112486	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+CH3OH+H"	33.033486
"392642"	715.121158	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+K"	38.963158
"753390"	1053.200158	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+K"	38.963158
"1553987"	377.042158	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+K"	38.963158
"313591"	358.064217	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+H+K"	39.970434
"703215"	527.103717	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+H+K"	39.970434
"1457032"	189.024717	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H+K"	39.970434
"246726"	718.191826	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+ACN+H"	42.033826
"1222351"	380.112826	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+ACN+H"	42.033826
"1208668"	190.560051	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+ACN+2H"	43.041102
"201291"	721.12916	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+2Na-H"	44.97116
"638300"	1059.20816	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+2Na-H"	44.97116
"1138524"	383.05016	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2Na-H"	44.97116
"180721"	361.068218	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+2Na"	45.978436
"618100"	530.107718	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+2Na"	45.978436
"1119417"	192.028718	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2Na"	45.978436
"1401846"	128.354904	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H+2Na"	46.985712
"1437246"	385.091746	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H+HCOOH"	47.012746
"224757"	366.10124	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+3H2O+2H"	56.04448
"1518658"	399.14379	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+IsoProp+H"	61.06479
"416883"	369.055188	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+Na+K"	61.952376
"782258"	538.094688	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+Na+K"	61.952376
"1678952"	200.015688	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Na+K"	61.952376
"264377"	740.173768	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+ACN+Na"	64.015768
"1237086"	402.094768	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+ACN+Na"	64.015768
"1725246"	402.118293	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+NH4+HCOOH"	64.039293
"1190967"	135.682218	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+3Na"	68.967654
"1661223"	407.073688	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Na+HCOOH"	68.994688
"166260"	753.07704	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+2K-H"	76.91904
"608739"	1091.15604	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+2K-H"	76.91904
"1093251"	414.99804	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2K-H"	76.91904
"152983"	377.042158	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"2M+2K"	77.926316
"585983"	546.081658	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"3M+2K"	77.926316
"1076692"	208.002658	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2K"	77.926316
"1109178"	417.012592	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2K+H"	78.933592
"1350547"	417.100207	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+DMSO+H"	79.021207
"1017373"	421.139376	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2ACN+H"	83.060376
"1536592"	422.133008	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+IsoProp+Na+H"	84.054008
"1003039"	211.073326	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+2ACN+2H"	84.067652
"1599366"	423.047628	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+K+HCOOH"	84.968628
"1429401"	453.079138	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+H+CF3COOH"	115.000138
"1161996"	231.586601	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+3ACN+2H"	125.094202
"1704133"	470.105685	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+NH4+CF3COOH"	132.026685
"1648540"	475.06108	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+Na+CF3COOH"	136.98208
"1586375"	491.03502	"C12402"	"Rabelomycin"	"C19H14O6"	"338.079"	"M+K+CF3COOH"	152.95602
"814556"	468.142	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M"	0
"983714"	449.12361	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-H2O-H"	-19.01839
"69769"	311.087390666667	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M-3H"	-3.021828
"506048"	467.134724	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M-3H"	-3.021828
"882753"	155.040057333333	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-3H"	-3.021828
"5711"	467.134724	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M-2H"	-2.014552
"449649"	701.205724	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M-2H"	-2.014552
"832076"	233.063724	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-2H"	-2.014552
"94014"	935.276724	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M-H"	-1.007276
"533697"	1403.418724	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M-H"	-1.007276
"911013"	467.134724	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-H"	-1.007276
"61981"	952.303271	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M-2H+NH4"	16.019271
"502027"	1420.445271	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M-2H+NH4"	16.019271
"877760"	484.161271	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-2H+NH4"	16.019271
"44809"	957.258666	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M-2H+Na"	20.974666
"482910"	1425.400666	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M-2H+Na"	20.974666
"862175"	489.116666	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-2H+Na"	20.974666
"1630977"	489.116666	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Na-2H"	20.974666
"106413"	485.123063	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M-H+Cl"	33.962126
"538682"	719.194063	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M-H+Cl"	33.962126
"934387"	251.052063	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-H+Cl"	33.962126
"279505"	971.253402	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+Cl"	34.969402
"670840"	1439.395402	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+Cl"	34.969402
"1274494"	503.111402	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Cl"	34.969402
"24706"	973.232606	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M-2H+K"	36.948606
"468639"	1441.374606	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M-2H+K"	36.948606
"845346"	505.090606	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-2H+K"	36.948606
"1565552"	505.090606	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+K-2H"	36.948606
"953435"	513.140194	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-H+HCOOH"	44.998194
"373476"	981.282201	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+HCOOH-H"	44.998201
"355534"	995.297851	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+Hac-H"	59.013851
"1503274"	527.155851	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Hac-H"	59.013851
"970453"	535.122151	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-H+NaCOOH"	66.980151
"119723"	503.111402	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+2Cl"	69.938804
"558191"	737.182402	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+2Cl"	69.938804
"1022249"	269.040402	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2Cl"	69.938804
"1245472"	547.060885	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Br"	78.918885
"1318746"	549.116872	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Cl+HCOOH"	80.974872
"1331994"	571.098829	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Cl+NaCOOH"	102.956829
"923779"	581.127586	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M-H+CF3COOH"	112.985586
"1303039"	617.104264	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Cl+CF3COOH"	148.962264
"1378651"	433.129324	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H-2H2O"	-35.012676
"1395420"	451.1393	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H-H2O"	-17.0027
"294739"	937.291276	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+H"	1.007276
"683150"	1405.433276	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+H"	1.007276
"1363143"	469.149276	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H"	1.007276
"133482"	469.149276	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+2H"	2.014552
"573041"	703.220276	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+2H"	2.014552
"1040019"	235.078276	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2H"	2.014552
"207555"	313.101942666667	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+3H"	3.021828
"649301"	469.149276	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+3H"	3.021828
"1177398"	157.054609333333	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+3H"	3.021828
"437270"	954.317823	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+NH4"	18.033823
"798269"	1422.459823	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+NH4"	18.033823
"1691318"	486.175823	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+NH4"	18.033823
"344338"	477.6625495	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+H+NH4"	19.041099
"736758"	711.7335495	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+H+NH4"	19.041099
"1489112"	243.5915495	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H+NH4"	19.041099
"401232"	959.273218	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+Na"	22.989218
"767702"	1427.415218	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+Na"	22.989218
"1616894"	491.131218	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Na"	22.989218
"325837"	480.140247	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+H+Na"	23.996494
"720081"	714.211247	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+H+Na"	23.996494
"1476335"	246.069247	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H+Na"	23.996494
"1067762"	164.381923333333	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2H+Na"	25.00377
"1272238"	501.175486	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+CH3OH+H"	33.033486
"391904"	975.247158	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+K"	38.963158
"753823"	1443.389158	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+K"	38.963158
"1554825"	507.105158	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+K"	38.963158
"310174"	488.127217	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+H+K"	39.970434
"704420"	722.198217	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+H+K"	39.970434
"1456049"	254.056217	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H+K"	39.970434
"246106"	978.317826	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+ACN+H"	42.033826
"1219908"	510.175826	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+ACN+H"	42.033826
"1209671"	255.591551	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+ACN+2H"	43.041102
"198849"	981.25516	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+2Na-H"	44.97116
"636223"	1449.39716	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+2Na-H"	44.97116
"1138634"	513.11316	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2Na-H"	44.97116
"180831"	491.131218	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+2Na"	45.978436
"617115"	725.202218	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+2Na"	45.978436
"1119891"	257.060218	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2Na"	45.978436
"1401956"	171.709237333333	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H+2Na"	46.985712
"1436263"	515.154746	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H+HCOOH"	47.012746
"225960"	496.16424	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+3H2O+2H"	56.04448
"1519497"	529.20679	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+IsoProp+H"	61.06479
"416993"	499.118188	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+Na+K"	61.952376
"784555"	733.189188	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+Na+K"	61.952376
"1679063"	265.047188	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Na+K"	61.952376
"263395"	1000.299768	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+ACN+Na"	64.015768
"1236833"	532.157768	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+ACN+Na"	64.015768
"1725355"	532.181293	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+NH4+HCOOH"	64.039293
"1193266"	179.036551333333	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+3Na"	68.967654
"1660603"	537.136688	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Na+HCOOH"	68.994688
"166005"	1013.20304	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+2K-H"	76.91904
"607391"	1481.34504	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+2K-H"	76.91904
"1094454"	545.06104	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2K-H"	76.91904
"153093"	507.105158	"C12403"	"104-1"	"C25H24O9"	"468.142"	"2M+2K"	77.926316
"587551"	741.176158	"C12403"	"104-1"	"C25H24O9"	"468.142"	"3M+2K"	77.926316
"1070845"	273.034158	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2K"	77.926316
"1110382"	547.075592	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2K+H"	78.933592
"1348831"	547.163207	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+DMSO+H"	79.021207
"1017482"	551.202376	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2ACN+H"	83.060376
"1536702"	552.196008	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+IsoProp+Na+H"	84.054008
"1004000"	276.104826	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+2ACN+2H"	84.067652
"1598748"	553.110628	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+K+HCOOH"	84.968628
"1427686"	583.142138	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+H+CF3COOH"	115.000138
"1161984"	296.618101	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+3ACN+2H"	125.094202
"1704243"	600.168685	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+NH4+CF3COOH"	132.026685
"1648650"	605.12408	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+Na+CF3COOH"	136.98208
"1586485"	621.09802	"C12403"	"104-1"	"C25H24O9"	"468.142"	"M+K+CF3COOH"	152.95602
"814666"	452.1471	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M"	0
"987104"	433.12871	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-H2O-H"	-19.01839
"72066"	300.424124	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M-3H"	-3.021828
"507252"	451.139824	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M-3H"	-3.021828
"882136"	149.708424	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-3H"	-3.021828
"6913"	451.139824	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M-2H"	-2.014552
"449753"	677.213374	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M-2H"	-2.014552
"824275"	225.066274	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-2H"	-2.014552
"91922"	903.286924	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M-H"	-1.007276
"533083"	1355.434024	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M-H"	-1.007276
"910639"	451.139824	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-H"	-1.007276
"61978"	920.313471	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M-2H+NH4"	16.019271
"502424"	1372.460571	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M-2H+NH4"	16.019271
"878723"	468.166371	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-2H+NH4"	16.019271
"46709"	925.268866	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M-2H+Na"	20.974666
"485207"	1377.415966	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M-2H+Na"	20.974666
"863383"	473.121766	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-2H+Na"	20.974666
"1631451"	473.121766	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Na-2H"	20.974666
"109075"	469.128163	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M-H+Cl"	33.962126
"542072"	695.201713	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M-H+Cl"	33.962126
"936684"	243.054613	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-H+Cl"	33.962126
"279615"	939.263602	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+Cl"	34.969402
"674229"	1391.410702	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+Cl"	34.969402
"1284446"	487.116502	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Cl"	34.969402
"28828"	941.242806	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M-2H+K"	36.948606
"470209"	1393.389906	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M-2H+K"	36.948606
"847889"	489.095706	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-2H+K"	36.948606
"1568943"	489.095706	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+K-2H"	36.948606
"954641"	497.145294	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-H+HCOOH"	44.998194
"376142"	949.292401	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+HCOOH-H"	44.998201
"358926"	963.308051	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+Hac-H"	59.013851
"1507041"	511.160951	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Hac-H"	59.013851
"972020"	519.127251	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-H+NaCOOH"	66.980151
"115458"	487.116502	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+2Cl"	69.938804
"558299"	713.190052	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+2Cl"	69.938804
"1024912"	261.042952	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2Cl"	69.938804
"1243396"	531.065985	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Br"	78.918885
"1305478"	533.121972	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Cl+HCOOH"	80.974872
"1332106"	555.103929	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Cl+NaCOOH"	102.956829
"923891"	565.132686	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M-H+CF3COOH"	112.985586
"1301693"	601.109364	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Cl+CF3COOH"	148.962264
"1376940"	417.134424	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H-2H2O"	-35.012676
"1393342"	435.1444	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H-H2O"	-17.0027
"291934"	905.301476	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+H"	1.007276
"688365"	1357.448576	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+H"	1.007276
"1364714"	453.154376	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H"	1.007276
"133592"	453.154376	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+2H"	2.014552
"574245"	679.227926	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+2H"	2.014552
"1046326"	227.080826	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2H"	2.014552
"216413"	302.438676	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+3H"	3.021828
"648317"	453.154376	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+3H"	3.021828
"1174101"	151.722976	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+3H"	3.021828
"438108"	922.328023	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+NH4"	18.033823
"796191"	1374.475123	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+NH4"	18.033823
"1694344"	470.180923	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+NH4"	18.033823
"341528"	461.6676495	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+H+NH4"	19.041099
"737962"	687.7411995	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+H+NH4"	19.041099
"1490315"	235.5940995	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H+NH4"	19.041099
"405715"	927.283418	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+Na"	22.989218
"768176"	1379.430518	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+Na"	22.989218
"1615181"	475.136318	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Na"	22.989218
"325217"	464.145347	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+H+Na"	23.996494
"722142"	690.218897	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+H+Na"	23.996494
"1476205"	238.071797	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H+Na"	23.996494
"1066534"	159.05029	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2H+Na"	25.00377
"1272511"	485.180586	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+CH3OH+H"	33.033486
"392663"	943.257358	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+K"	38.963158
"753983"	1395.404458	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+K"	38.963158
"1554572"	491.110258	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+K"	38.963158
"313810"	472.132317	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+H+K"	39.970434
"704529"	698.205867	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+H+K"	39.970434
"1452150"	246.058767	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H+K"	39.970434
"240022"	946.328026	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+ACN+H"	42.033826
"1216739"	494.180926	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+ACN+H"	42.033826
"1199527"	247.594101	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+ACN+2H"	43.041102
"193492"	949.26536	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+2Na-H"	44.97116
"638520"	1401.41246	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+2Na-H"	44.97116
"1139838"	497.11826	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2Na-H"	44.97116
"176933"	475.136318	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+2Na"	45.978436
"615396"	701.209868	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+2Na"	45.978436
"1118177"	249.062768	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2Na"	45.978436
"1402067"	166.377604	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H+2Na"	46.985712
"1436737"	499.159846	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H+HCOOH"	47.012746
"225702"	480.16934	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+3H2O+2H"	56.04448
"1518506"	513.21189	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+IsoProp+H"	61.06479
"418196"	483.123288	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+Na+K"	61.952376
"783939"	709.196838	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+Na+K"	61.952376
"1679902"	257.049738	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Na+K"	61.952376
"263871"	968.309968	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+ACN+Na"	64.015768
"1240594"	516.162868	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+ACN+Na"	64.015768
"1727662"	516.186393	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+NH4+HCOOH"	64.039293
"1194092"	173.704918	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+3Na"	68.967654
"1664362"	521.141788	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Na+HCOOH"	68.994688
"171586"	981.21324	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+2K-H"	76.91904
"608960"	1433.36034	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+2K-H"	76.91904
"1098212"	529.06614	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2K-H"	76.91904
"154663"	491.110258	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"2M+2K"	77.926316
"591306"	717.183808	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"3M+2K"	77.926316
"1076182"	265.036708	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2K"	77.926316
"1106113"	531.080692	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2K+H"	78.933592
"1341405"	531.168307	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+DMSO+H"	79.021207
"1008841"	535.207476	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2ACN+H"	83.060376
"1528060"	536.201108	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+IsoProp+Na+H"	84.054008
"1001068"	268.107376	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+2ACN+2H"	84.067652
"1595571"	537.115728	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+K+HCOOH"	84.968628
"1421230"	567.147238	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+H+CF3COOH"	115.000138
"1152611"	288.620651	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+3ACN+2H"	125.094202
"1698156"	584.173785	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+NH4+CF3COOH"	132.026685
"1648760"	589.12918	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+Na+CF3COOH"	136.98208
"1586595"	605.10312	"C12404"	"Urdamycinone B"	"C25H24O8"	"452.1471"	"M+K+CF3COOH"	152.95602
"813318"	566.2152	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M"	0
"983934"	547.19681	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-H2O-H"	-19.01839
"73269"	376.469524	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M-3H"	-3.021828
"505175"	565.207924	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M-3H"	-3.021828
"881881"	187.731124	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-3H"	-3.021828
"3743"	565.207924	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M-2H"	-2.014552
"443300"	848.315524	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M-2H"	-2.014552
"821103"	282.100324	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-2H"	-2.014552
"85471"	1131.423124	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M-H"	-1.007276
"533061"	1697.638324	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M-H"	-1.007276
"911273"	565.207924	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-H"	-1.007276
"62734"	1148.449671	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M-2H+NH4"	16.019271
"501880"	1714.664871	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M-2H+NH4"	16.019271
"878586"	582.234471	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-2H+NH4"	16.019271
"46612"	1153.405066	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M-2H+Na"	20.974666
"484953"	1719.620266	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M-2H+Na"	20.974666
"864211"	587.189866	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-2H+Na"	20.974666
"1630468"	587.189866	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Na-2H"	20.974666
"108091"	583.196263	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M-H+Cl"	33.962126
"539996"	866.303863	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M-H+Cl"	33.962126
"935701"	300.088663	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-H+Cl"	33.962126
"276445"	1167.399802	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+Cl"	34.969402
"674338"	1733.615002	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+Cl"	34.969402
"1284555"	601.184602	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Cl"	34.969402
"28206"	1169.379006	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M-2H+K"	36.948606
"470927"	1735.594206	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M-2H+K"	36.948606
"848244"	603.163806	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-2H+K"	36.948606
"1569053"	603.163806	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+K-2H"	36.948606
"954751"	611.213394	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-H+HCOOH"	44.998194
"376858"	1177.428601	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+HCOOH-H"	44.998201
"357943"	1191.444251	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+Hac-H"	59.013851
"1507513"	625.229051	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Hac-H"	59.013851
"972131"	633.195351	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-H+NaCOOH"	66.980151
"115568"	601.184602	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+2Cl"	69.938804
"558409"	884.292202	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+2Cl"	69.938804
"1025022"	318.077002	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2Cl"	69.938804
"1243870"	645.134085	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Br"	78.918885
"1306317"	647.190072	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Cl+HCOOH"	80.974872
"1321623"	669.172029	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Cl+NaCOOH"	102.956829
"918890"	679.200786	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M-H+CF3COOH"	112.985586
"1301440"	715.177464	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Cl+CF3COOH"	148.962264
"1373769"	531.202524	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H-2H2O"	-35.012676
"1393817"	549.2125	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H-H2O"	-17.0027
"293503"	1133.437676	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+H"	1.007276
"688476"	1699.652876	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+H"	1.007276
"1364459"	567.222476	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H"	1.007276
"133702"	567.222476	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+2H"	2.014552
"575084"	850.330076	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+2H"	2.014552
"1043156"	284.114876	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2H"	2.014552
"215795"	378.484076	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+3H"	3.021828
"648427"	567.222476	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+3H"	3.021828
"1173118"	189.745676	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+3H"	3.021828
"438218"	1150.464223	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+NH4"	18.033823
"798489"	1716.679423	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+NH4"	18.033823
"1694090"	584.249023	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+NH4"	18.033823
"341638"	575.7357495	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+H+NH4"	19.041099
"736976"	858.8433495	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+H+NH4"	19.041099
"1488239"	292.6281495	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H+NH4"	19.041099
"403639"	1155.419618	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+Na"	22.989218
"768286"	1721.634818	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+Na"	22.989218
"1616385"	589.204418	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Na"	22.989218
"327513"	578.213447	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+H+Na"	23.996494
"721885"	861.321047	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+H+Na"	23.996494
"1476191"	295.105847	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H+Na"	23.996494
"1068182"	197.07299	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2H+Na"	25.00377
"1272503"	599.248686	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+CH3OH+H"	33.033486
"392362"	1171.393558	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+K"	38.963158
"754009"	1737.608758	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+K"	38.963158
"1555250"	605.178358	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+K"	38.963158
"313311"	586.200417	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+H+K"	39.970434
"704273"	869.308017	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+H+K"	39.970434
"1450074"	303.092817	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H+K"	39.970434
"240861"	1174.464226	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+ACN+H"	42.033826
"1214662"	608.249026	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+ACN+H"	42.033826
"1200731"	304.628151	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+ACN+2H"	43.041102
"194696"	1177.40156	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+2Na-H"	44.97116
"635350"	1743.61676	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+2Na-H"	44.97116
"1142135"	611.18636	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2Na-H"	44.97116
"177045"	589.204418	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+2Na"	45.978436
"616602"	872.312018	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+2Na"	45.978436
"1117922"	306.096818	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2Na"	45.978436
"1400719"	204.400304	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H+2Na"	46.985712
"1435753"	613.227946	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H+HCOOH"	47.012746
"222531"	594.23744	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+3H2O+2H"	56.04448
"1510958"	627.27999	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+IsoProp+H"	61.06479
"411738"	597.191388	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+Na+K"	61.952376
"783315"	880.298988	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+Na+K"	61.952376
"1678916"	314.083788	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Na+K"	61.952376
"263975"	1196.446168	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+ACN+Na"	64.015768
"1240094"	630.230968	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+ACN+Na"	64.015768
"1726552"	630.254493	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+NH4+HCOOH"	64.039293
"1193483"	211.727618	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+3Na"	68.967654
"1664469"	635.209888	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Na+HCOOH"	68.994688
"166955"	1209.34944	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+2K-H"	76.91904
"609433"	1775.56464	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+2K-H"	76.91904
"1098322"	643.13424	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2K-H"	76.91904
"154772"	605.178358	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"2M+2K"	77.926316
"591052"	888.285958	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"3M+2K"	77.926316
"1076292"	322.070758	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2K"	77.926316
"1105130"	645.148792	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2K+H"	78.933592
"1341515"	645.236407	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+DMSO+H"	79.021207
"1010044"	649.275576	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2ACN+H"	83.060376
"1528170"	650.269208	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+IsoProp+Na+H"	84.054008
"1001178"	325.141426	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+2ACN+2H"	84.067652
"1595681"	651.183828	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+K+HCOOH"	84.968628
"1420247"	681.215338	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+H+CF3COOH"	115.000138
"1152721"	345.654701	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+3ACN+2H"	125.094202
"1701182"	698.241885	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+NH4+CF3COOH"	132.026685
"1648870"	703.19728	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+Na+CF3COOH"	136.98208
"1586705"	719.17122	"C12405"	"100-1"	"C31H34O10"	"566.2152"	"M+K+CF3COOH"	152.95602
"812699"	696.2782	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M"	0
"982951"	677.25981	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-H2O-H"	-19.01839
"73379"	463.178190666667	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M-3H"	-3.021828
"505285"	695.270924	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M-3H"	-3.021828
"881991"	231.085457333333	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-3H"	-3.021828
"6039"	695.270924	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M-2H"	-2.014552
"444503"	1043.410024	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M-2H"	-2.014552
"823397"	347.131824	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-2H"	-2.014552
"85581"	1391.549124	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M-H"	-1.007276
"534028"	2087.827324	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M-H"	-1.007276
"911101"	695.270924	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-H"	-1.007276
"62316"	1408.575671	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M-2H+NH4"	16.019271
"502568"	2104.853871	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M-2H+NH4"	16.019271
"879861"	712.297471	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-2H+NH4"	16.019271
"46976"	1413.531066	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M-2H+Na"	20.974666
"485918"	2109.809266	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M-2H+Na"	20.974666
"863599"	717.252866	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-2H+Na"	20.974666
"1630578"	717.252866	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Na-2H"	20.974666
"107107"	713.259263	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M-H+Cl"	33.962126
"543385"	1061.398363	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M-H+Cl"	33.962126
"937997"	365.120163	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-H+Cl"	33.962126
"277648"	1427.525802	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+Cl"	34.969402
"674086"	2123.804002	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+Cl"	34.969402
"1283568"	731.247602	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Cl"	34.969402
"30506"	1429.505006	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M-2H+K"	36.948606
"470799"	2125.783206	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M-2H+K"	36.948606
"847746"	733.226806	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-2H+K"	36.948606
"1569163"	733.226806	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+K-2H"	36.948606
"956319"	741.276394	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-H+HCOOH"	44.998194
"376360"	1437.554601	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+HCOOH-H"	44.998201
"361179"	1451.570251	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+Hac-H"	59.013851
"1507259"	755.292051	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Hac-H"	59.013851
"973948"	763.258351	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-H+NaCOOH"	66.980151
"122605"	731.247602	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+2Cl"	69.938804
"560707"	1079.386702	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+2Cl"	69.938804
"1026225"	383.108502	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2Cl"	69.938804
"1242522"	775.197085	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Br"	78.918885
"1305699"	777.253072	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Cl+HCOOH"	80.974872
"1320400"	799.235029	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Cl+NaCOOH"	102.956829
"921187"	809.263786	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M-H+CF3COOH"	112.985586
"1302278"	845.240464	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Cl+CF3COOH"	148.962264
"1376066"	661.265524	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H-2H2O"	-35.012676
"1393198"	679.2755	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H-H2O"	-17.0027
"293976"	1393.563676	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+H"	1.007276
"687857"	2089.841876	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+H"	1.007276
"1363840"	697.285476	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H"	1.007276
"131625"	697.285476	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+2H"	2.014552
"571185"	1045.424576	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+2H"	2.014552
"1043266"	349.146376	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2H"	2.014552
"211166"	465.192742666667	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+3H"	3.021828
"647444"	697.285476	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+3H"	3.021828
"1171042"	233.100009333333	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+3H"	3.021828
"439421"	1410.590223	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+NH4"	18.033823
"798964"	2106.868423	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+NH4"	18.033823
"1694929"	714.312023	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+NH4"	18.033823
"341749"	705.7987495	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+H+NH4"	19.041099
"735991"	1053.9378495	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+H+NH4"	19.041099
"1487256"	357.6596495	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H+NH4"	19.041099
"403749"	1415.545618	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+Na"	22.989218
"768032"	2111.823818	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+Na"	22.989218
"1615035"	719.267418	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Na"	22.989218
"328717"	708.276447	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+H+Na"	23.996494
"721146"	1056.415547	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+H+Na"	23.996494
"1474602"	360.137347	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H+Na"	23.996494
"1068460"	240.427323333333	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2H+Na"	25.00377
"1272315"	729.311686	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+CH3OH+H"	33.033486
"392351"	1431.519558	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+K"	38.963158
"754160"	2127.797758	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+K"	38.963158
"1553699"	735.241358	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+K"	38.963158
"313057"	716.263417	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+H+K"	39.970434
"704747"	1064.402517	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+H+K"	39.970434
"1451277"	368.124317	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H+K"	39.970434
"238784"	1434.590226	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+ACN+H"	42.033826
"1212586"	738.312026	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+ACN+H"	42.033826
"1200840"	369.659651	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+ACN+2H"	43.041102
"195898"	1437.52756	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+2Na-H"	44.97116
"638740"	2133.80576	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+2Na-H"	44.97116
"1142974"	741.24936	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2Na-H"	44.97116
"176789"	719.267418	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+2Na"	45.978436
"617441"	1067.406518	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+2Na"	45.978436
"1117670"	371.128318	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2Na"	45.978436
"1400829"	247.754637333333	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H+2Na"	46.985712
"1437320"	743.290946	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H+HCOOH"	47.012746
"222641"	724.30044	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+3H2O+2H"	56.04448
"1511432"	757.34299	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+IsoProp+H"	61.06479
"411848"	727.254388	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+Na+K"	61.952376
"782697"	1075.393488	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+Na+K"	61.952376
"1677568"	379.115288	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Na+K"	61.952376
"262264"	1456.572168	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+ACN+Na"	64.015768
"1238255"	760.293968	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+ACN+Na"	64.015768
"1726783"	760.317493	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+NH4+HCOOH"	64.039293
"1192502"	255.081951333333	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+3Na"	68.967654
"1664214"	765.272888	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Na+HCOOH"	68.994688
"170711"	1469.47544	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+2K-H"	76.91904
"609543"	2165.75364	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+2K-H"	76.91904
"1099573"	773.19724	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2K-H"	76.91904
"156220"	735.241358	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"2M+2K"	77.926316
"591890"	1083.380458	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"3M+2K"	77.926316
"1076402"	387.102258	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2K"	77.926316
"1106333"	775.211792	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2K+H"	78.933592
"1343811"	775.299407	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+DMSO+H"	79.021207
"1011247"	779.338576	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2ACN+H"	83.060376
"1529373"	780.332208	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+IsoProp+Na+H"	84.054008
"1001288"	390.172926	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+2ACN+2H"	84.067652
"1595791"	781.246828	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+K+HCOOH"	84.968628
"1420357"	811.278338	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+H+CF3COOH"	115.000138
"1153924"	410.686201	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+3ACN+2H"	125.094202
"1701292"	828.304885	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+NH4+CF3COOH"	132.026685
"1649832"	833.26028	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+Na+CF3COOH"	136.98208
"1586815"	849.23422	"C12406"	"Urdamycin B"	"C37H44O13"	"696.2782"	"M+K+CF3COOH"	152.95602
"811716"	468.142	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M"	0
"980874"	449.12361	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-H2O-H"	-19.01839
"66928"	311.087390666667	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M-3H"	-3.021828
"505395"	467.134724	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M-3H"	-3.021828
"883194"	155.040057333333	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-3H"	-3.021828
"3962"	467.134724	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M-2H"	-2.014552
"444613"	701.205724	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M-2H"	-2.014552
"822414"	233.063724	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-2H"	-2.014552
"90064"	935.276724	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M-H"	-1.007276
"533165"	1403.418724	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M-H"	-1.007276
"911209"	467.134724	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-H"	-1.007276
"61941"	952.303271	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M-2H+NH4"	16.019271
"500894"	1420.445271	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M-2H+NH4"	16.019271
"879302"	484.161271	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-2H+NH4"	16.019271
"46354"	957.258666	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M-2H+Na"	20.974666
"485178"	1425.400666	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M-2H+Na"	20.974666
"863223"	489.116666	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-2H+Na"	20.974666
"1629595"	489.116666	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Na-2H"	20.974666
"107217"	485.123063	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M-H+Cl"	33.962126
"544588"	719.194063	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M-H+Cl"	33.962126
"935915"	251.052063	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-H+Cl"	33.962126
"276665"	971.253402	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+Cl"	34.969402
"674192"	1439.395402	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+Cl"	34.969402
"1280398"	503.111402	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Cl"	34.969402
"30820"	973.232606	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M-2H+K"	36.948606
"471259"	1441.374606	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M-2H+K"	36.948606
"848220"	505.090606	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-2H+K"	36.948606
"1568180"	505.090606	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+K-2H"	36.948606
"954607"	513.140194	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-H+HCOOH"	44.998194
"376597"	981.282201	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+HCOOH-H"	44.998201
"360842"	995.297851	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+Hac-H"	59.013851
"1508420"	527.155851	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Hac-H"	59.013851
"973813"	535.122151	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-H+NaCOOH"	66.980151
"123079"	503.111402	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+2Cl"	69.938804
"561910"	737.182402	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+2Cl"	69.938804
"1026335"	269.040402	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2Cl"	69.938804
"1244090"	547.060885	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Br"	78.918885
"1305809"	549.116872	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Cl+HCOOH"	80.974872
"1321481"	571.098829	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Cl+NaCOOH"	102.956829
"919110"	581.127586	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M-H+CF3COOH"	112.985586
"1295817"	617.104264	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Cl+CF3COOH"	148.962264
"1377271"	433.129324	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H-2H2O"	-35.012676
"1395130"	451.1393	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H-H2O"	-17.0027
"294818"	937.291276	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+H"	1.007276
"688697"	1405.433276	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+H"	1.007276
"1363219"	469.149276	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H"	1.007276
"131735"	469.149276	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+2H"	2.014552
"572388"	703.220276	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+2H"	2.014552
"1041189"	235.078276	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2H"	2.014552
"209089"	313.101942666667	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+3H"	3.021828
"646823"	469.149276	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+3H"	3.021828
"1171152"	157.054609333333	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+3H"	3.021828
"437346"	954.317823	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+NH4"	18.033823
"797251"	1422.459823	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+NH4"	18.033823
"1694311"	486.175823	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+NH4"	18.033823
"341131"	477.6625495	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+H+NH4"	19.041099
"736831"	711.7335495	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+H+NH4"	19.041099
"1488461"	243.5915495	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H+NH4"	19.041099
"403495"	959.273218	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+Na"	22.989218
"768264"	1427.415218	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+Na"	22.989218
"1612959"	491.131218	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Na"	22.989218
"326275"	480.140247	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+H+Na"	23.996494
"722107"	714.211247	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+H+Na"	23.996494
"1475076"	246.069247	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H+Na"	23.996494
"1068159"	164.381923333333	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2H+Na"	25.00377
"1270848"	501.175486	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+CH3OH+H"	33.033486
"390391"	975.247158	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+K"	38.963158
"751751"	1443.389158	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+K"	38.963158
"1553808"	507.105158	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+K"	38.963158
"312439"	488.127217	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+H+K"	39.970434
"702308"	722.198217	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+H+K"	39.970434
"1451387"	254.056217	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H+K"	39.970434
"237801"	978.317826	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+ACN+H"	42.033826
"1214882"	510.175826	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+ACN+H"	42.033826
"1199856"	255.591551	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+ACN+2H"	43.041102
"192729"	981.25516	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+2Na-H"	44.97116
"640672"	1449.39716	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+2Na-H"	44.97116
"1140897"	513.11316	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2Na-H"	44.97116
"179087"	491.131218	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+2Na"	45.978436
"617913"	725.202218	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+2Na"	45.978436
"1118509"	257.060218	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2Na"	45.978436
"1400938"	171.709237333333	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H+2Na"	46.985712
"1434149"	515.154746	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H+HCOOH"	47.012746
"222749"	496.16424	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+3H2O+2H"	56.04448
"1513364"	529.20679	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+IsoProp+H"	61.06479
"413780"	499.118188	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+Na+K"	61.952376
"781345"	733.189188	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+Na+K"	61.952376
"1676947"	265.047188	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Na+K"	61.952376
"262739"	1000.299768	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+ACN+Na"	64.015768
"1239458"	532.157768	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+ACN+Na"	64.015768
"1726283"	532.181293	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+NH4+HCOOH"	64.039293
"1192973"	179.036551333333	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+3Na"	68.967654
"1663109"	537.136688	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Na+HCOOH"	68.994688
"170820"	1013.20304	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+2K-H"	76.91904
"608924"	1481.34504	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+2K-H"	76.91904
"1098421"	545.06104	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2K-H"	76.91904
"155967"	507.105158	"C12407"	"104-2"	"C25H24O9"	"468.142"	"2M+2K"	77.926316
"587626"	741.176158	"C12407"	"104-2"	"C25H24O9"	"468.142"	"3M+2K"	77.926316
"1069951"	273.034158	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2K"	77.926316
"1106443"	547.075592	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2K+H"	78.933592
"1342827"	547.163207	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+DMSO+H"	79.021207
"1011357"	551.202376	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2ACN+H"	83.060376
"1532763"	552.196008	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+IsoProp+Na+H"	84.054008
"1001398"	276.104826	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+2ACN+2H"	84.067652
"1595901"	553.110628	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+K+HCOOH"	84.968628
"1420467"	583.142138	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+H+CF3COOH"	115.000138
"1154036"	296.618101	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+3ACN+2H"	125.094202
"1701397"	600.168685	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+NH4+CF3COOH"	132.026685
"1649455"	605.12408	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+Na+CF3COOH"	136.98208
"1586925"	621.09802	"C12407"	"104-2"	"C25H24O9"	"468.142"	"M+K+CF3COOH"	152.95602
"812919"	600.2207	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M"	0
"980984"	581.20231	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-H2O-H"	-19.01839
"65944"	399.139857333333	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M-3H"	-3.021828
"505505"	599.213424	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M-3H"	-3.021828
"882212"	199.066290666667	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-3H"	-3.021828
"4072"	599.213424	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M-2H"	-2.014552
"446910"	899.323774	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M-2H"	-2.014552
"821430"	299.103074	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-2H"	-2.014552
"90174"	1199.434124	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M-H"	-1.007276
"531934"	1799.654824	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M-H"	-1.007276
"908759"	599.213424	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-H"	-1.007276
"61075"	1216.460671	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M-2H+NH4"	16.019271
"501002"	1816.681371	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M-2H+NH4"	16.019271
"878074"	616.239971	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-2H+NH4"	16.019271
"45852"	1221.416066	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M-2H+Na"	20.974666
"485287"	1821.636766	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M-2H+Na"	20.974666
"856892"	621.195366	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-2H+Na"	20.974666
"1626424"	621.195366	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Na-2H"	20.974666
"101862"	617.201763	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M-H+Cl"	33.962126
"543605"	917.312113	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M-H+Cl"	33.962126
"931652"	317.091413	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-H+Cl"	33.962126
"271308"	1235.410802	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+Cl"	34.969402
"664826"	1835.631502	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+Cl"	34.969402
"1275041"	635.190102	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Cl"	34.969402
"26348"	1237.390006	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M-2H+K"	36.948606
"463721"	1837.610706	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M-2H+K"	36.948606
"846991"	637.169306	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-2H+K"	36.948606
"1566103"	637.169306	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+K-2H"	36.948606
"953986"	645.218894	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-H+HCOOH"	44.998194
"376707"	1245.439601	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+HCOOH-H"	44.998201
"361070"	1259.455251	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+Hac-H"	59.013851
"1508206"	659.234551	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Hac-H"	59.013851
"974046"	667.200851	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-H+NaCOOH"	66.980151
"121366"	635.190102	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+2Cl"	69.938804
"562020"	935.300452	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+2Cl"	69.938804
"1025351"	335.079752	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2Cl"	69.938804
"1243106"	679.139585	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Br"	78.918885
"1306648"	681.195572	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Cl+HCOOH"	80.974872
"1321227"	703.177529	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Cl+NaCOOH"	102.956829
"919220"	713.206286	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M-H+CF3COOH"	112.985586
"1295927"	749.182964	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Cl+CF3COOH"	148.962264
"1378472"	565.208024	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H-2H2O"	-35.012676
"1397062"	583.218	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H-H2O"	-17.0027
"297112"	1201.448676	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+H"	1.007276
"689171"	1801.669376	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+H"	1.007276
"1364421"	601.227976	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H"	1.007276
"131845"	601.227976	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+2H"	2.014552
"572498"	901.338326	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+2H"	2.014552
"1041299"	301.117626	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2H"	2.014552
"209199"	401.154409333333	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+3H"	3.021828
"646933"	601.227976	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+3H"	3.021828
"1173448"	201.080842666667	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+3H"	3.021828
"438548"	1218.475223	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+NH4"	18.033823
"796997"	1818.695923	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+NH4"	18.033823
"1693692"	618.254523	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+NH4"	18.033823
"343063"	609.7412495	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+H+NH4"	19.041099
"737792"	909.8515995	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+H+NH4"	19.041099
"1488571"	309.6308995	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H+NH4"	19.041099
"403605"	1223.430618	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+Na"	22.989218
"767158"	1823.651318	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+Na"	22.989218
"1615984"	623.209918	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Na"	22.989218
"324199"	612.218947	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+H+Na"	23.996494
"719543"	912.329297	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+H+Na"	23.996494
"1474093"	312.108597	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H+Na"	23.996494
"1066976"	208.408156666667	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2H+Na"	25.00377
"1271081"	633.254186	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+CH3OH+H"	33.033486
"391111"	1239.404558	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+K"	38.963158
"751497"	1839.625258	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+K"	38.963158
"1554647"	639.183858	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+K"	38.963158
"311092"	620.205917	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+H+K"	39.970434
"703146"	920.316267	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+H+K"	39.970434
"1451497"	320.095567	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H+K"	39.970434
"239004"	1242.475226	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+ACN+H"	42.033826
"1214992"	642.254526	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+ACN+H"	42.033826
"1204341"	321.630901	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+ACN+2H"	43.041102
"199400"	1245.41256	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+2Na-H"	44.97116
"640782"	1845.63326	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+2Na-H"	44.97116
"1141007"	645.19186	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2Na-H"	44.97116
"179196"	623.209918	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+2Na"	45.978436
"620941"	923.320268	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+2Na"	45.978436
"1118983"	323.099568	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2Na"	45.978436
"1404692"	215.735470666667	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H+2Na"	46.985712
"1433163"	647.233446	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H+HCOOH"	47.012746
"222128"	628.24294	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+3H2O+2H"	56.04448
"1513839"	661.28549	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+IsoProp+H"	61.06479
"412796"	631.196888	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+Na+K"	61.952376
"777442"	931.307238	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+Na+K"	61.952376
"1671587"	331.086538	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Na+K"	61.952376
"260293"	1264.457168	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+ACN+Na"	64.015768
"1231912"	664.236468	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+ACN+Na"	64.015768
"1722988"	664.259993	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+NH4+HCOOH"	64.039293
"1189437"	223.062784666667	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+3Na"	68.967654
"1663339"	669.215388	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Na+HCOOH"	68.994688
"168012"	1277.36044	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+2K-H"	76.91904
"604659"	1877.58114	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+2K-H"	76.91904
"1094640"	677.13974	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2K-H"	76.91904
"149269"	639.183858	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"2M+2K"	77.926316
"587735"	939.294208	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"3M+2K"	77.926316
"1068599"	339.073508	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2K"	77.926316
"1100637"	679.154292	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2K+H"	78.933592
"1335722"	679.241907	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+DMSO+H"	79.021207
"1011467"	683.281076	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2ACN+H"	83.060376
"1532873"	684.274708	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+IsoProp+Na+H"	84.054008
"994946"	342.144176	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+2ACN+2H"	84.067652
"1589813"	685.189328	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+K+HCOOH"	84.968628
"1417295"	715.220838	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+H+CF3COOH"	115.000138
"1153051"	362.657451	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+3ACN+2H"	125.094202
"1698956"	732.247385	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+NH4+CF3COOH"	132.026685
"1644826"	737.20278	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+Na+CF3COOH"	136.98208
"1577194"	753.17672	"C12408"	"100-2"	"C31H36O12"	"600.2207"	"M+K+CF3COOH"	152.95602
"811936"	712.2731	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M"	0
"981094"	693.25471	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-H2O-H"	-19.01839
"67148"	473.841457333333	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M-3H"	-3.021828
"505615"	711.265824	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M-3H"	-3.021828
"882322"	236.417090666667	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-3H"	-3.021828
"5276"	711.265824	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M-2H"	-2.014552
"445927"	1067.402374	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M-2H"	-2.014552
"820447"	355.129274	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-2H"	-2.014552
"87004"	1423.538924	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M-H"	-1.007276
"532774"	2135.812024	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M-H"	-1.007276
"911098"	711.265824	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-H"	-1.007276
"61671"	1440.565471	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M-2H+NH4"	16.019271
"501958"	2152.838571	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M-2H+NH4"	16.019271
"879601"	728.292371	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-2H+NH4"	16.019271
"44745"	1445.520866	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M-2H+Na"	20.974666
"485883"	2157.793966	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M-2H+Na"	20.974666
"855911"	733.247766	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-2H+Na"	20.974666
"1627627"	733.247766	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Na-2H"	20.974666
"103065"	729.254163	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M-H+Cl"	33.962126
"542622"	1085.390713	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M-H+Cl"	33.962126
"935042"	373.117613	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-H+Cl"	33.962126
"267646"	1459.515602	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+Cl"	34.969402
"662383"	2171.788702	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+Cl"	34.969402
"1278431"	747.242502	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Cl"	34.969402
"24270"	1461.494806	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M-2H+K"	36.948606
"463831"	2173.767906	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M-2H+K"	36.948606
"843819"	749.221706	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-2H+K"	36.948606
"1566213"	749.221706	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+K-2H"	36.948606
"953003"	757.271294	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-H+HCOOH"	44.998194
"377077"	1469.544401	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+HCOOH-H"	44.998201
"361384"	1483.560051	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+Hac-H"	59.013851
"1507219"	771.286951	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Hac-H"	59.013851
"973749"	779.253251	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-H+NaCOOH"	66.980151
"120383"	747.242502	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+2Cl"	69.938804
"562130"	1103.379052	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+2Cl"	69.938804
"1032023"	391.105952	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2Cl"	69.938804
"1246133"	791.191985	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Br"	78.918885
"1305665"	793.247972	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Cl+HCOOH"	80.974872
"1322430"	815.229929	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Cl+NaCOOH"	102.956829
"917142"	825.258686	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M-H+CF3COOH"	112.985586
"1296037"	861.235364	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Cl+CF3COOH"	148.962264
"1378582"	677.260424	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H-2H2O"	-35.012676
"1397172"	695.2704	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H-H2O"	-17.0027
"298198"	1425.553476	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+H"	1.007276
"690008"	2137.826576	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+H"	1.007276
"1365262"	713.280376	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H"	1.007276
"133048"	713.280376	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+2H"	2.014552
"572608"	1069.416926	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+2H"	2.014552
"1041773"	357.143826	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2H"	2.014552
"209309"	475.856009333333	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+3H"	3.021828
"648867"	713.280376	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+3H"	3.021828
"1172465"	238.431642666667	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+3H"	3.021828
"438293"	1442.580023	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+NH4"	18.033823
"797835"	2154.853123	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+NH4"	18.033823
"1695260"	730.306923	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+NH4"	18.033823
"344266"	721.7936495	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+H+NH4"	19.041099
"737415"	1077.9301995	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+H+NH4"	19.041099
"1488680"	365.6570995	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H+NH4"	19.041099
"402986"	1447.535418	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+Na"	22.989218
"766175"	2159.808518	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+Na"	22.989218
"1616094"	735.262318	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Na"	22.989218
"327224"	724.271347	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+H+Na"	23.996494
"722206"	1080.407897	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+H+Na"	23.996494
"1473839"	368.134797	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H+Na"	23.996494
"1068056"	245.758956666667	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2H+Na"	25.00377
"1272407"	745.306586	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+CH3OH+H"	33.033486
"392191"	1463.509358	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+K"	38.963158
"753791"	2175.782458	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+K"	38.963158
"1554755"	751.236258	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+K"	38.963158
"313388"	732.258317	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+H+K"	39.970434
"703255"	1088.394867	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+H+K"	39.970434
"1450514"	376.121767	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H+K"	39.970434
"240206"	1466.580026	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+ACN+H"	42.033826
"1217287"	754.306926	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+ACN+H"	42.033826
"1205180"	377.657101	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+ACN+2H"	43.041102
"197322"	1469.51736	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+2Na-H"	44.97116
"637975"	2181.79046	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+2Na-H"	44.97116
"1140387"	757.24426	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2Na-H"	44.97116
"181492"	735.262318	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+2Na"	45.978436
"618865"	1091.398868	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+2Na"	45.978436
"1121279"	379.125768	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2Na"	45.978436
"1404802"	253.086270666667	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H+2Na"	46.985712
"1434731"	759.285846	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H+HCOOH"	47.012746
"224425"	740.29534	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+3H2O+2H"	56.04448
"1511397"	773.33789	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+IsoProp+H"	61.06479
"409866"	743.249288	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+Na+K"	61.952376
"775366"	1099.385838	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+Na+K"	61.952376
"1670235"	387.112738	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Na+K"	61.952376
"256028"	1488.561968	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+ACN+Na"	64.015768
"1234208"	776.288868	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+ACN+Na"	64.015768
"1723826"	776.312393	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+NH4+HCOOH"	64.039293
"1190640"	260.413584666667	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+3Na"	68.967654
"1663571"	781.267788	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Na+HCOOH"	68.994688
"169216"	1501.46524	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+2K-H"	76.91904
"602581"	2213.73834	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+2K-H"	76.91904
"1093657"	789.19214	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2K-H"	76.91904
"148286"	751.236258	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"2M+2K"	77.926316
"586752"	1107.372808	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"3M+2K"	77.926316
"1069198"	395.099708	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2K"	77.926316
"1100830"	791.206692	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2K+H"	78.933592
"1335787"	791.294307	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+DMSO+H"	79.021207
"1011577"	795.333476	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2ACN+H"	83.060376
"1531890"	796.327108	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+IsoProp+Na+H"	84.054008
"995056"	398.170376	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+2ACN+2H"	84.067652
"1589923"	797.241728	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+K+HCOOH"	84.968628
"1417405"	827.273238	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+H+CF3COOH"	115.000138
"1152068"	418.683651	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+3ACN+2H"	125.094202
"1701621"	844.299785	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+NH4+CF3COOH"	132.026685
"1646029"	849.25518	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+Na+CF3COOH"	136.98208
"1577304"	865.22912	"C12409"	"124-1"	"C37H44O14"	"712.2731"	"M+K+CF3COOH"	152.95602
"815326"	504.1632	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M"	0
"981204"	485.14481	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-H2O-H"	-19.01839
"67258"	335.101524	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M-3H"	-3.021828
"505725"	503.155924	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M-3H"	-3.021828
"882796"	167.047124	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-3H"	-3.021828
"6479"	503.155924	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M-2H"	-2.014552
"443851"	755.237524	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M-2H"	-2.014552
"821650"	251.074324	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-2H"	-2.014552
"87114"	1007.319124	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M-H"	-1.007276
"532881"	1511.482324	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M-H"	-1.007276
"910805"	503.155924	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-H"	-1.007276
"62508"	1024.345671	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M-2H+NH4"	16.019271
"502556"	1528.508871	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M-2H+NH4"	16.019271
"879805"	520.182471	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-2H+NH4"	16.019271
"46800"	1029.301066	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M-2H+Na"	20.974666
"486479"	1533.464266	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M-2H+Na"	20.974666
"857113"	525.137866	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-2H+Na"	20.974666
"1629925"	525.137866	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Na-2H"	20.974666
"105358"	521.144263	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M-H+Cl"	33.962126
"543825"	773.225863	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M-H+Cl"	33.962126
"934058"	269.062663	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-H+Cl"	33.962126
"268484"	1043.295802	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+Cl"	34.969402
"662493"	1547.459002	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+Cl"	34.969402
"1281821"	539.132602	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Cl"	34.969402
"18910"	1045.275006	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M-2H+K"	36.948606
"466127"	1549.438206	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M-2H+K"	36.948606
"841741"	541.111806	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-2H+K"	36.948606
"1565230"	541.111806	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+K-2H"	36.948606
"955300"	549.161394	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-H+HCOOH"	44.998194
"376801"	1053.324601	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+HCOOH-H"	44.998201
"360805"	1067.340251	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+Hac-H"	59.013851
"1507938"	563.177051	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Hac-H"	59.013851
"973654"	571.143351	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-H+NaCOOH"	66.980151
"121586"	539.132602	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+2Cl"	69.938804
"564306"	791.214202	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+2Cl"	69.938804
"1028853"	287.051002	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2Cl"	69.938804
"1248430"	583.082085	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Br"	78.918885
"1307598"	585.138072	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Cl+HCOOH"	80.974872
"1323270"	607.120029	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Cl+NaCOOH"	102.956829
"919802"	617.148786	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M-H+CF3COOH"	112.985586
"1296147"	653.125464	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Cl+CF3COOH"	148.962264
"1372496"	469.150524	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H-2H2O"	-35.012676
"1397282"	487.1605	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H-H2O"	-17.0027
"296967"	1009.333676	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+H"	1.007276
"687201"	1513.496876	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+H"	1.007276
"1362456"	505.170476	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H"	1.007276
"133158"	505.170476	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+2H"	2.014552
"572718"	757.252076	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+2H"	2.014552
"1040790"	253.088876	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2H"	2.014552
"211606"	337.116076	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+3H"	3.021828
"649341"	505.170476	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+3H"	3.021828
"1171481"	169.061676	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+3H"	3.021828
"437309"	1026.360223	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+NH4"	18.033823
"799039"	1530.523423	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+NH4"	18.033823
"1696749"	522.197023	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+NH4"	18.033823
"345105"	513.6837495	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+H+NH4"	19.041099
"737525"	765.7653495	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+H+NH4"	19.041099
"1487696"	261.6021495	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H+NH4"	19.041099
"402003"	1031.315618	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+Na"	22.989218
"765192"	1535.478818	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+Na"	22.989218
"1617784"	527.152418	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Na"	22.989218
"327698"	516.161447	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+H+Na"	23.996494
"721950"	768.243047	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+H+Na"	23.996494
"1475771"	264.079847	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H+Na"	23.996494
"1068167"	176.38899	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2H+Na"	25.00377
"1272520"	537.196686	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+CH3OH+H"	33.033486
"392802"	1047.289558	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+K"	38.963158
"754219"	1551.452758	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+K"	38.963158
"1554132"	543.126358	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+K"	38.963158
"309849"	524.148417	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+H+K"	39.970434
"700083"	776.230017	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+H+K"	39.970434
"1451716"	272.066817	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H+K"	39.970434
"241410"	1050.360226	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+ACN+H"	42.033826
"1220677"	546.197026	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+ACN+H"	42.033826
"1208571"	273.602151	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+ACN+2H"	43.041102
"199254"	1053.29756	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+2Na-H"	44.97116
"637721"	1557.46076	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+2Na-H"	44.97116
"1141226"	549.13436	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2Na-H"	44.97116
"185612"	527.152418	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+2Na"	45.978436
"621892"	779.234018	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+2Na"	45.978436
"1124670"	275.070818	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2Na"	45.978436
"1404549"	183.716304	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H+2Na"	46.985712
"1434478"	551.175946	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H+HCOOH"	47.012746
"225628"	532.18544	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+3H2O+2H"	56.04448
"1512965"	565.22799	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+IsoProp+H"	61.06479
"409490"	535.139388	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+Na+K"	61.952376
"780943"	787.220988	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+Na+K"	61.952376
"1675084"	283.057788	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Na+K"	61.952376
"259418"	1072.342168	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+ACN+Na"	64.015768
"1237598"	568.178968	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+ACN+Na"	64.015768
"1726123"	568.202493	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+NH4+HCOOH"	64.039293
"1192695"	191.043618	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+3Na"	68.967654
"1663559"	573.157888	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Na+HCOOH"	68.994688
"169692"	1085.24544	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+2K-H"	76.91904
"604879"	1589.40864	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+2K-H"	76.91904
"1091579"	581.08224	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2K-H"	76.91904
"154957"	543.126358	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"2M+2K"	77.926316
"585768"	795.207958	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"3M+2K"	77.926316
"1073561"	291.044758	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2K"	77.926316
"1103492"	583.096792	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2K+H"	78.933592
"1339876"	583.184407	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+DMSO+H"	79.021207
"1013874"	587.223576	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2ACN+H"	83.060376
"1532000"	588.217208	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+IsoProp+Na+H"	84.054008
"997353"	294.115426	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+2ACN+2H"	84.067652
"1591856"	589.131828	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+K+HCOOH"	84.968628
"1420795"	619.163338	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+H+CF3COOH"	115.000138
"1153271"	314.628701	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+3ACN+2H"	125.094202
"1702824"	636.189885	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+NH4+CF3COOH"	132.026685
"1645046"	641.14528	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+Na+CF3COOH"	136.98208
"1577414"	657.11922	"C12410"	"Urdamycinone F"	"C25H28O11"	"504.1632"	"M+K+CF3COOH"	152.95602
"813249"	862.3623	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M"	0
"984594"	843.34391	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-H2O-H"	-19.01839
"67368"	573.900924	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M-3H"	-3.021828
"508022"	861.355024	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M-3H"	-3.021828
"882542"	286.446824	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-3H"	-3.021828
"2208"	861.355024	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M-2H"	-2.014552
"443961"	1292.536174	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M-2H"	-2.014552
"819938"	430.173874	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-2H"	-2.014552
"83943"	1723.717324	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M-H"	-1.007276
"531158"	2586.079624	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M-H"	-1.007276
"910059"	861.355024	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-H"	-1.007276
"62769"	1740.743871	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M-2H+NH4"	16.019271
"502339"	2603.106171	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M-2H+NH4"	16.019271
"878884"	878.381571	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-2H+NH4"	16.019271
"45935"	1745.699266	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M-2H+Na"	20.974666
"485859"	2608.061566	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M-2H+Na"	20.974666
"862692"	883.336966	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-2H+Na"	20.974666
"1627849"	883.336966	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Na-2H"	20.974666
"104376"	879.343363	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M-H+Cl"	33.962126
"543935"	1310.524513	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M-H+Cl"	33.962126
"935262"	448.162213	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-H+Cl"	33.962126
"271637"	1759.694002	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+Cl"	34.969402
"671715"	2622.056302	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+Cl"	34.969402
"1281931"	897.331702	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Cl"	34.969402
"19020"	1761.673206	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M-2H+K"	36.948606
"467330"	2624.035506	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M-2H+K"	36.948606
"840757"	899.310906	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-2H+K"	36.948606
"1565340"	899.310906	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+K-2H"	36.948606
"955412"	907.360494	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-H+HCOOH"	44.998194
"376837"	1769.722801	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+HCOOH-H"	44.998201
"360672"	1783.738451	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+Hac-H"	59.013851
"1508215"	921.376151	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Hac-H"	59.013851
"972671"	929.342451	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-H+NaCOOH"	66.980151
"123519"	897.331702	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+2Cl"	69.938804
"564173"	1328.512852	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+2Cl"	69.938804
"1032243"	466.150552	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2Cl"	69.938804
"1245260"	941.281185	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Br"	78.918885
"1305520"	943.337172	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Cl+HCOOH"	80.974872
"1320584"	965.319129	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Cl+NaCOOH"	102.956829
"918819"	975.347886	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M-H+CF3COOH"	112.985586
"1296257"	1011.324564	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Cl+CF3COOH"	148.962264
"1381843"	827.349624	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H-2H2O"	-35.012676
"1398391"	845.3596	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H-H2O"	-17.0027
"297442"	1725.731876	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+H"	1.007276
"687311"	2588.094176	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+H"	1.007276
"1362566"	863.369576	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H"	1.007276
"134361"	863.369576	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+2H"	2.014552
"572828"	1294.550726	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+2H"	2.014552
"1042723"	432.188426	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2H"	2.014552
"211716"	575.915476	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+3H"	3.021828
"647994"	863.369576	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+3H"	3.021828
"1174509"	288.461376	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+3H"	3.021828
"437419"	1742.758423	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+NH4"	18.033823
"800243"	2605.120723	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+NH4"	18.033823
"1695477"	880.396123	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+NH4"	18.033823
"345651"	871.8828495	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+H+NH4"	19.041099
"737635"	1303.0639995	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+H+NH4"	19.041099
"1487806"	440.7016995	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H+NH4"	19.041099
"402113"	1747.713818	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+Na"	22.989218
"767489"	2610.076118	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+Na"	22.989218
"1616678"	885.351518	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Na"	22.989218
"326717"	874.360547	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+H+Na"	23.996494
"721332"	1305.541697	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+H+Na"	23.996494
"1476245"	443.179397	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H+Na"	23.996494
"1068033"	295.78869	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2H+Na"	25.00377
"1272390"	895.395786	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+CH3OH+H"	33.033486
"392717"	1763.687758	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+K"	38.963158
"753981"	2626.050058	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+K"	38.963158
"1555521"	901.325458	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+K"	38.963158
"312511"	882.347517	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+H+K"	39.970434
"703473"	1313.528667	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+H+K"	39.970434
"1452920"	451.166367	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H+K"	39.970434
"242613"	1766.758426	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+ACN+H"	42.033826
"1217509"	904.396126	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+ACN+H"	42.033826
"1207588"	452.701701	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+ACN+2H"	43.041102
"199364"	1769.69576	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+2Na-H"	44.97116
"637102"	2632.05806	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+2Na-H"	44.97116
"1139514"	907.33346	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2Na-H"	44.97116
"185722"	885.351518	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+2Na"	45.978436
"623094"	1316.532668	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+2Na"	45.978436
"1121500"	454.170368	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2Na"	45.978436
"1404294"	303.116004	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H+2Na"	46.985712
"1432401"	909.375046	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H+HCOOH"	47.012746
"224645"	890.38454	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+3H2O+2H"	56.04448
"1512711"	923.42709	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+IsoProp+H"	61.06479
"408993"	893.338488	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+Na+K"	61.952376
"782146"	1324.519638	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+Na+K"	61.952376
"1674101"	462.157338	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Na+K"	61.952376
"255151"	1788.740368	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+ACN+Na"	64.015768
"1231144"	926.378068	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+ACN+Na"	64.015768
"1720030"	926.401593	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+NH4+HCOOH"	64.039293
"1191953"	310.443318	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+3Na"	68.967654
"1665539"	931.356988	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Na+HCOOH"	68.994688
"170893"	1801.64364	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+2K-H"	76.91904
"612717"	2664.00594	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+2K-H"	76.91904
"1097157"	939.28134	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2K-H"	76.91904
"150692"	901.325458	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"2M+2K"	77.926316
"586972"	1332.506608	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"3M+2K"	77.926316
"1076951"	470.144308	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2K"	77.926316
"1106882"	941.295892	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2K+H"	78.933592
"1342173"	941.383507	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+DMSO+H"	79.021207
"1012891"	945.422676	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2ACN+H"	83.060376
"1533203"	946.416308	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+IsoProp+Na+H"	84.054008
"996369"	473.214976	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+2ACN+2H"	84.067652
"1591965"	947.330928	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+K+HCOOH"	84.968628
"1420905"	977.362438	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+H+CF3COOH"	115.000138
"1155568"	493.728251	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+3ACN+2H"	125.094202
"1701841"	994.388985	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+NH4+CF3COOH"	132.026685
"1645156"	999.34438	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+Na+CF3COOH"	136.98208
"1577524"	1015.31832	"C12411"	"Urdamycin F"	"C43H58O18"	"862.3623"	"M+K+CF3COOH"	152.95602
"814452"	486.1526	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M"	0
"984704"	467.13421	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-H2O-H"	-19.01839
"67478"	323.094457333333	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M-3H"	-3.021828
"511412"	485.145324	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M-3H"	-3.021828
"882652"	161.043590666667	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-3H"	-3.021828
"3414"	485.145324	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M-2H"	-2.014552
"444066"	728.221624	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M-2H"	-2.014552
"820773"	242.069024	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-2H"	-2.014552
"84053"	971.297924	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M-H"	-1.007276
"524705"	1457.450524	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M-H"	-1.007276
"905796"	485.145324	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-H"	-1.007276
"60170"	988.324471	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M-2H+NH4"	16.019271
"500825"	1474.477071	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M-2H+NH4"	16.019271
"878264"	502.171871	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-2H+NH4"	16.019271
"46899"	993.279866	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M-2H+Na"	20.974666
"486337"	1479.432466	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M-2H+Na"	20.974666
"862801"	507.127266	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-2H+Na"	20.974666
"1631238"	507.127266	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Na-2H"	20.974666
"103395"	503.133663	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M-H+Cl"	33.962126
"545138"	746.209963	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M-H+Cl"	33.962126
"933185"	260.057363	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-H+Cl"	33.962126
"278308"	1007.274602	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+Cl"	34.969402
"671825"	1493.427202	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+Cl"	34.969402
"1282041"	521.122002	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Cl"	34.969402
"25691"	1009.253806	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M-2H+K"	36.948606
"470359"	1495.406406	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M-2H+K"	36.948606
"840867"	523.101206	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-2H+K"	36.948606
"1565450"	523.101206	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+K-2H"	36.948606
"952970"	531.150794	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-H+HCOOH"	44.998194
"376659"	1017.303401	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+HCOOH-H"	44.998201
"360174"	1031.319051	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+Hac-H"	59.013851
"1508041"	545.166451	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Hac-H"	59.013851
"972781"	553.132751	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-H+NaCOOH"	66.980151
"123629"	521.122002	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+2Cl"	69.938804
"564649"	764.198302	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+2Cl"	69.938804
"1032353"	278.045702	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2Cl"	69.938804
"1244277"	565.071485	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Br"	78.918885
"1304537"	567.127472	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Cl+HCOOH"	80.974872
"1320938"	589.109429	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Cl+NaCOOH"	102.956829
"918929"	599.138186	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M-H+CF3COOH"	112.985586
"1293451"	635.114864	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Cl+CF3COOH"	148.962264
"1382708"	451.139924	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H-2H2O"	-35.012676
"1398327"	469.1499	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H-H2O"	-17.0027
"297552"	973.312476	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+H"	1.007276
"691070"	1459.465076	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+H"	1.007276
"1366956"	487.159876	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H"	1.007276
"134472"	487.159876	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+2H"	2.014552
"571845"	730.236176	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+2H"	2.014552
"1043926"	244.083576	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2H"	2.014552
"212920"	325.109009333333	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+3H"	3.021828
"648104"	487.159876	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+3H"	3.021828
"1174619"	163.058142666667	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+3H"	3.021828
"437529"	990.339023	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+NH4"	18.033823
"799508"	1476.491623	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+NH4"	18.033823
"1694130"	504.186423	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+NH4"	18.033823
"345205"	495.6731495	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+H+NH4"	19.041099
"736894"	738.7494495	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+H+NH4"	19.041099
"1490836"	252.5968495	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H+NH4"	19.041099
"403318"	995.294418	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+Na"	22.989218
"768694"	1481.447018	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+Na"	22.989218
"1615695"	509.141818	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Na"	22.989218
"324641"	498.150847	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+H+Na"	23.996494
"722288"	741.227147	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+H+Na"	23.996494
"1476767"	255.074547	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H+Na"	23.996494
"1067908"	170.385456666667	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2H+Na"	25.00377
"1272452"	519.186086	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+CH3OH+H"	33.033486
"392363"	1011.268358	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+K"	38.963158
"753931"	1497.420958	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+K"	38.963158
"1554964"	525.115758	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+K"	38.963158
"312986"	506.137817	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+H+K"	39.970434
"703583"	749.214117	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+H+K"	39.970434
"1455215"	263.061517	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H+K"	39.970434
"243817"	1014.339026	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+ACN+H"	42.033826
"1218712"	528.186426	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+ACN+H"	42.033826
"1207334"	264.596851	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+ACN+2H"	43.041102
"200567"	1017.27636	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+2Na-H"	44.97116
"638305"	1503.42896	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+2Na-H"	44.97116
"1141810"	531.12376	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2Na-H"	44.97116
"185832"	509.141818	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+2Na"	45.978436
"620654"	752.218118	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+2Na"	45.978436
"1123796"	266.065518	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2Na"	45.978436
"1407318"	177.712770666667	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H+2Na"	46.985712
"1432875"	533.165346	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H+HCOOH"	47.012746
"221477"	514.17484	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+3H2O+2H"	56.04448
"1513918"	547.21739	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+IsoProp+H"	61.06479
"419437"	517.128788	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+Na+K"	61.952376
"781163"	760.205088	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+Na+K"	61.952376
"1674941"	274.052488	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Na+K"	61.952376
"254897"	1036.320968	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+ACN+Na"	64.015768
"1229064"	550.168368	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+ACN+Na"	64.015768
"1723789"	550.191893	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+NH4+HCOOH"	64.039293
"1194021"	185.040084666667	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+3Na"	68.967654
"1665482"	555.147288	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Na+HCOOH"	68.994688
"171004"	1049.22424	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+2K-H"	76.91904
"612471"	1535.37684	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+2K-H"	76.91904
"1092891"	563.07164	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2K-H"	76.91904
"150801"	525.115758	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"2M+2K"	77.926316
"589270"	768.192058	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"3M+2K"	77.926316
"1080344"	282.039458	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2K"	77.926316
"1106992"	565.086192	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2K+H"	78.933592
"1344470"	565.173807	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+DMSO+H"	79.021207
"1011908"	569.212976	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2ACN+H"	83.060376
"1533313"	570.206608	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+IsoProp+Na+H"	84.054008
"996479"	285.110126	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+2ACN+2H"	84.067652
"1590253"	571.121228	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+K+HCOOH"	84.968628
"1418829"	601.152738	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+H+CF3COOH"	115.000138
"1153492"	305.623401	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+3ACN+2H"	125.094202
"1701951"	618.179285	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+NH4+CF3COOH"	132.026685
"1645266"	623.13468	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+Na+CF3COOH"	136.98208
"1577634"	639.10862	"C12412"	"Aquayamycin"	"C25H26O10"	"486.1526"	"M+K+CF3COOH"	152.95602
"808001"	844.3518	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M"	0
"987366"	825.33341	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-H2O-H"	-19.01839
"67588"	561.893924	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M-3H"	-3.021828
"511522"	843.344524	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M-3H"	-3.021828
"882762"	280.443324	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-3H"	-3.021828
"3524"	843.344524	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M-2H"	-2.014552
"445268"	1265.520424	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M-2H"	-2.014552
"821975"	421.168624	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-2H"	-2.014552
"84160"	1687.696324	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M-H"	-1.007276
"524815"	2532.048124	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M-H"	-1.007276
"908821"	843.344524	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-H"	-1.007276
"61740"	1704.722871	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M-2H+NH4"	16.019271
"501178"	2549.074671	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M-2H+NH4"	16.019271
"879589"	860.371071	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-2H+NH4"	16.019271
"46399"	1709.678266	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M-2H+Na"	20.974666
"485835"	2554.030066	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M-2H+Na"	20.974666
"862790"	865.326466	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-2H+Na"	20.974666
"1630255"	865.326466	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Na-2H"	20.974666
"105691"	861.332863	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M-H+Cl"	33.962126
"544154"	1283.508763	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M-H+Cl"	33.962126
"931109"	439.156963	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-H+Cl"	33.962126
"280605"	1723.673002	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+Cl"	34.969402
"671935"	2568.024802	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+Cl"	34.969402
"1282151"	879.321202	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Cl"	34.969402
"25801"	1725.652206	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M-2H+K"	36.948606
"463174"	2570.004006	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M-2H+K"	36.948606
"840976"	881.300406	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-2H+K"	36.948606
"1556079"	881.300406	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+K-2H"	36.948606
"943064"	889.349994	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-H+HCOOH"	44.998194
"374576"	1733.701801	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+HCOOH-H"	44.998201
"358823"	1747.717451	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+Hac-H"	59.013851
"1508022"	903.365651	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Hac-H"	59.013851
"973011"	911.331951	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-H+NaCOOH"	66.980151
"124468"	879.321202	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+2Cl"	69.938804
"565490"	1301.497102	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+2Cl"	69.938804
"1032463"	457.145302	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2Cl"	69.938804
"1245480"	923.270685	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Br"	78.918885
"1306833"	925.326672	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Cl+HCOOH"	80.974872
"1321169"	947.308629	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Cl+NaCOOH"	102.956829
"918675"	957.337386	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M-H+CF3COOH"	112.985586
"1295383"	993.314064	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Cl+CF3COOH"	148.962264
"1375732"	809.339124	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H-2H2O"	-35.012676
"1394688"	827.3491	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H-H2O"	-17.0027
"292921"	1689.710876	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+H"	1.007276
"687165"	2534.062676	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+H"	1.007276
"1361690"	845.359076	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H"	1.007276
"133487"	845.359076	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+2H"	2.014552
"567944"	1267.534976	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+2H"	2.014552
"1044035"	423.183176	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2H"	2.014552
"213030"	563.908476	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+3H"	3.021828
"648214"	845.359076	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+3H"	3.021828
"1174364"	282.457876	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+3H"	3.021828
"438003"	1706.737423	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+NH4"	18.033823
"799979"	2551.089223	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+NH4"	18.033823
"1693875"	862.385623	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+NH4"	18.033823
"342882"	853.8723495	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+H+NH4"	19.041099
"737004"	1276.0482495	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+H+NH4"	19.041099
"1491310"	431.6964495	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H+NH4"	19.041099
"403428"	1711.692818	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+Na"	22.989218
"768561"	2556.044618	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+Na"	22.989218
"1615805"	867.341018	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Na"	22.989218
"325843"	856.350047	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+H+Na"	23.996494
"722035"	1278.525947	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+H+Na"	23.996494
"1476968"	434.174147	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H+Na"	23.996494
"1068257"	289.78519	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2H+Na"	25.00377
"1271751"	877.385286	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+CH3OH+H"	33.033486
"392392"	1727.666758	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+K"	38.963158
"753022"	2572.018558	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+K"	38.963158
"1554344"	883.314958	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+K"	38.963158
"312367"	864.337017	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+H+K"	39.970434
"703329"	1286.512917	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+H+K"	39.970434
"1455325"	442.161117	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H+K"	39.970434
"243927"	1730.737426	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+ACN+H"	42.033826
"1221739"	886.385626	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+ACN+H"	42.033826
"1204892"	443.696451	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+ACN+2H"	43.041102
"201041"	1733.67476	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+2Na-H"	44.97116
"638415"	2578.02656	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+2Na-H"	44.97116
"1141920"	889.32296	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2Na-H"	44.97116
"186672"	867.341018	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+2Na"	45.978436
"622587"	1289.516918	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+2Na"	45.978436
"1129010"	445.165118	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2Na"	45.978436
"1407428"	297.112504	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H+2Na"	46.985712
"1436266"	891.364546	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H+HCOOH"	47.012746
"222317"	872.37404	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+3H2O+2H"	56.04448
"1511839"	905.41659	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+IsoProp+H"	61.06479
"418819"	875.327988	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+Na+K"	61.952376
"781275"	1297.503888	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+Na+K"	61.952376
"1674687"	453.152088	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Na+K"	61.952376
"255007"	1752.719368	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+ACN+Na"	64.015768
"1228081"	908.367568	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+ACN+Na"	64.015768
"1723899"	908.391093	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+NH4+HCOOH"	64.039293
"1194054"	304.439818	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+3Na"	68.967654
"1665360"	913.346488	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Na+HCOOH"	68.994688
"171115"	1765.62264	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+2K-H"	76.91904
"612380"	2609.97444	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+2K-H"	76.91904
"1095188"	921.27084	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2K-H"	76.91904
"150911"	883.314958	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"2M+2K"	77.926316
"589380"	1305.490858	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"3M+2K"	77.926316
"1082399"	461.139058	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2K"	77.926316
"1103822"	923.285392	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2K+H"	78.933592
"1341300"	923.373007	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+DMSO+H"	79.021207
"1014205"	927.412176	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2ACN+H"	83.060376
"1529049"	928.405808	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+IsoProp+Na+H"	84.054008
"993309"	464.209726	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+2ACN+2H"	84.067652
"1588175"	929.320428	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+K+HCOOH"	84.968628
"1417846"	959.351938	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+H+CF3COOH"	115.000138
"1154695"	484.723001	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+3ACN+2H"	125.094202
"1699874"	976.378485	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+NH4+CF3COOH"	132.026685
"1645375"	981.33388	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+Na+CF3COOH"	136.98208
"1577744"	997.30782	"C12413"	"Urdamycin A;Kerriamycin B"	"C43H56O17"	"844.3518"	"M+K+CF3COOH"	152.95602
"808111"	714.2888	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M"	0
"984924"	695.27041	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-H2O-H"	-19.01839
"68791"	475.185257333333	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M-3H"	-3.021828
"511632"	713.281524	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M-3H"	-3.021828
"885058"	237.088990666667	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-3H"	-3.021828
"2172"	713.281524	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M-2H"	-2.014552
"444284"	1070.425924	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M-2H"	-2.014552
"820993"	356.137124	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-2H"	-2.014552
"80255"	1427.570324	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M-H"	-1.007276
"526018"	2141.859124	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M-H"	-1.007276
"908201"	713.281524	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-H"	-1.007276
"59296"	1444.596871	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M-2H+NH4"	16.019271
"502139"	2158.885671	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M-2H+NH4"	16.019271
"877998"	730.308071	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-2H+NH4"	16.019271
"45050"	1449.552266	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M-2H+Na"	20.974666
"485824"	2163.841066	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M-2H+Na"	20.974666
"860835"	735.263466	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-2H+Na"	20.974666
"1628178"	735.263466	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Na-2H"	20.974666
"106895"	731.269863	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M-H+Cl"	33.962126
"542078"	1088.414263	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M-H+Cl"	33.962126
"932313"	374.125463	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-H+Cl"	33.962126
"277435"	1463.547002	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+Cl"	34.969402
"668765"	2177.835802	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+Cl"	34.969402
"1282261"	749.258202	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Cl"	34.969402
"22631"	1465.526206	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M-2H+K"	36.948606
"463284"	2179.815006	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M-2H+K"	36.948606
"837806"	751.237406	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-2H+K"	36.948606
"1558012"	751.237406	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+K-2H"	36.948606
"943096"	759.286994	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-H+HCOOH"	44.998194
"373592"	1473.575801	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+HCOOH-H"	44.998201
"358932"	1487.591451	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+Hac-H"	59.013851
"1504483"	773.302651	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Hac-H"	59.013851
"967650"	781.268951	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-H+NaCOOH"	66.980151
"123118"	749.258202	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+2Cl"	69.938804
"553930"	1106.402602	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+2Cl"	69.938804
"1024918"	392.113802	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2Cl"	69.938804
"1243402"	793.207685	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Br"	78.918885
"1308036"	795.263672	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Cl+HCOOH"	80.974872
"1321158"	817.245629	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Cl+NaCOOH"	102.956829
"917691"	827.274386	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M-H+CF3COOH"	112.985586
"1297680"	863.251064	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Cl+CF3COOH"	148.962264
"1375842"	679.276124	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H-2H2O"	-35.012676
"1393340"	697.2861	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H-H2O"	-17.0027
"293027"	1429.584876	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+H"	1.007276
"686544"	2143.873676	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+H"	1.007276
"1357425"	715.296076	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H"	1.007276
"129222"	715.296076	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+2H"	2.014552
"568054"	1072.440476	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+2H"	2.014552
"1043052"	358.151676	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2H"	2.014552
"214233"	477.199809333333	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+3H"	3.021828
"648324"	715.296076	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+3H"	3.021828
"1171922"	239.103542666667	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+3H"	3.021828
"435197"	1446.611423	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+NH4"	18.033823
"798751"	2160.900223	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+NH4"	18.033823
"1692527"	732.322623	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+NH4"	18.033823
"341898"	723.8093495	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+H+NH4"	19.041099
"736141"	1080.9537495	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+H+NH4"	19.041099
"1488141"	366.6649495	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H+NH4"	19.041099
"405725"	1451.566818	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+Na"	22.989218
"767820"	2165.855618	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+Na"	22.989218
"1613729"	737.278018	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Na"	22.989218
"322674"	726.287047	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+H+Na"	23.996494
"717281"	1083.431447	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+H+Na"	23.996494
"1476216"	369.142647	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H+Na"	23.996494
"1068237"	246.430856666667	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2H+Na"	25.00377
"1271743"	747.322286	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+CH3OH+H"	33.033486
"392503"	1467.540758	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+K"	38.963158
"753739"	2181.829558	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+K"	38.963158
"1554575"	753.251958	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+K"	38.963158
"312476"	734.274017	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+H+K"	39.970434
"703439"	1091.418417	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+H+K"	39.970434
"1456894"	377.129617	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H+K"	39.970434
"246589"	1470.611426	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+ACN+H"	42.033826
"1220026"	756.322626	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+ACN+H"	42.033826
"1206095"	378.664951	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+ACN+2H"	43.041102
"194590"	1473.54876	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+2Na-H"	44.97116
"637431"	2187.83756	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+2Na-H"	44.97116
"1138750"	759.25996	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2Na-H"	44.97116
"186051"	737.278018	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+2Na"	45.978436
"622695"	1094.422418	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+2Na"	45.978436
"1128388"	380.133618	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2Na"	45.978436
"1404985"	253.758170666667	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H+2Na"	46.985712
"1434553"	761.301546	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H+HCOOH"	47.012746
"224247"	742.31104	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+3H2O+2H"	56.04448
"1511948"	775.35359	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+IsoProp+H"	61.06479
"416011"	745.264988	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+Na+K"	61.952376
"774089"	1102.409388	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+Na+K"	61.952376
"1676616"	388.120588	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Na+K"	61.952376
"255480"	1492.593368	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+ACN+Na"	64.015768
"1230742"	778.304568	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+ACN+Na"	64.015768
"1725466"	778.328093	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+NH4+HCOOH"	64.039293
"1193256"	261.085484666667	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+3Na"	68.967654
"1665349"	783.283488	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Na+HCOOH"	68.994688
"172201"	1505.49664	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+2K-H"	76.91904
"612368"	2219.78544	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+2K-H"	76.91904
"1094205"	791.20784	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2K-H"	76.91904
"149928"	753.251958	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"2M+2K"	77.926316
"588397"	1110.396358	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"3M+2K"	77.926316
"1082509"	396.107558	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2K"	77.926316
"1103932"	793.222392	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2K+H"	78.933592
"1341410"	793.310007	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+DMSO+H"	79.021207
"1014315"	797.349176	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2ACN+H"	83.060376
"1531345"	798.342808	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+IsoProp+Na+H"	84.054008
"996699"	399.178226	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+2ACN+2H"	84.067652
"1591202"	799.257428	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+K+HCOOH"	84.968628
"1419049"	829.288938	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+H+CF3COOH"	115.000138
"1153712"	419.691501	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+3ACN+2H"	125.094202
"1698891"	846.315485	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+NH4+CF3COOH"	132.026685
"1645486"	851.27088	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+Na+CF3COOH"	136.98208
"1577854"	867.24482	"C12414"	"Urdamycin G;Aggreticin;OM 4842"	"C37H46O14"	"714.2888"	"M+K+CF3COOH"	152.95602
"808221"	396.0845	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M"	0
"978474"	377.06611	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-H2O-H"	-19.01839
"67808"	263.049057333333	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M-3H"	-3.021828
"508462"	395.077224	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M-3H"	-3.021828
"880430"	131.020890666667	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-3H"	-3.021828
"824"	395.077224	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M-2H"	-2.014552
"443301"	593.119474	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M-2H"	-2.014552
"820010"	197.034974	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-2H"	-2.014552
"81094"	791.161724	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M-H"	-1.007276
"521026"	1187.246224	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M-H"	-1.007276
"903938"	395.077224	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-H"	-1.007276
"58311"	808.188271	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M-2H+NH4"	16.019271
"498964"	1204.272771	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M-2H+NH4"	16.019271
"879323"	412.103771	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-2H+NH4"	16.019271
"46375"	813.143666	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M-2H+Na"	20.974666
"486419"	1209.228166	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M-2H+Na"	20.974666
"860944"	417.059166	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-2H+Na"	20.974666
"1628288"	417.059166	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Na-2H"	20.974666
"107005"	413.065563	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M-H+Cl"	33.962126
"542188"	611.107813	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M-H+Cl"	33.962126
"932423"	215.023313	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-H+Cl"	33.962126
"277545"	827.138402	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+Cl"	34.969402
"668875"	1223.222902	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+Cl"	34.969402
"1282371"	431.053902	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Cl"	34.969402
"22741"	829.117606	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M-2H+K"	36.948606
"463394"	1225.202106	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M-2H+K"	36.948606
"837916"	433.033106	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-2H+K"	36.948606
"1558121"	433.033106	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+K-2H"	36.948606
"944544"	441.082694	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-H+HCOOH"	44.998194
"374066"	837.167201	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+HCOOH-H"	44.998201
"359042"	851.182851	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+Hac-H"	59.013851
"1504593"	455.098351	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Hac-H"	59.013851
"967760"	463.064651	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-H+NaCOOH"	66.980151
"123228"	431.053902	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+2Cl"	69.938804
"555133"	629.096152	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+2Cl"	69.938804
"1026121"	233.011652	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2Cl"	69.938804
"1243512"	475.003385	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Br"	78.918885
"1306324"	477.059372	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Cl+HCOOH"	80.974872
"1320902"	499.041329	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Cl+NaCOOH"	102.956829
"911801"	509.070086	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M-H+CF3COOH"	112.985586
"1296697"	545.046764	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Cl+CF3COOH"	148.962264
"1373764"	361.071824	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H-2H2O"	-35.012676
"1392722"	379.0818	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H-H2O"	-17.0027
"293502"	793.176276	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+H"	1.007276
"686291"	1189.260776	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+H"	1.007276
"1357535"	397.091776	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H"	1.007276
"127874"	397.091776	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+2H"	2.014552
"568161"	595.134026	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+2H"	2.014552
"1040244"	199.049526	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2H"	2.014552
"207781"	265.063609333333	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+3H"	3.021828
"648434"	397.091776	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+3H"	3.021828
"1168750"	133.035442666667	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+3H"	3.021828
"436037"	810.202823	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+NH4"	18.033823
"799590"	1206.287323	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+NH4"	18.033823
"1692637"	414.118323	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+NH4"	18.033823
"343831"	405.6050495	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+H+NH4"	19.041099
"730053"	603.6472995	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+H+NH4"	19.041099
"1491167"	207.5627995	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H+NH4"	19.041099
"405835"	815.158218	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+Na"	22.989218
"769024"	1211.242718	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+Na"	22.989218
"1614933"	419.073718	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Na"	22.989218
"322784"	408.082747	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+H+Na"	23.996494
"717391"	606.124997	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+H+Na"	23.996494
"1476975"	210.040497	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H+Na"	23.996494
"1066645"	140.362756666667	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2H+Na"	25.00377
"1272295"	429.117986	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+CH3OH+H"	33.033486
"392737"	831.132158	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+K"	38.963158
"751900"	1227.216658	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+K"	38.963158
"1551765"	435.047658	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+K"	38.963158
"309670"	416.069717	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+H+K"	39.970434
"700269"	614.111967	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+H+K"	39.970434
"1454452"	218.027467	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H+K"	39.970434
"246333"	834.202826	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+ACN+H"	42.033826
"1219042"	438.118326	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+ACN+H"	42.033826
"1205111"	219.562801	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+ACN+2H"	43.041102
"193607"	837.14016	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+2Na-H"	44.97116
"637541"	1233.22466	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+2Na-H"	44.97116
"1136673"	441.05566	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2Na-H"	44.97116
"186162"	419.073718	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+2Na"	45.978436
"620618"	617.115968	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+2Na"	45.978436
"1128499"	221.031468	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2Na"	45.978436
"1403637"	147.690070666667	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H+2Na"	46.985712
"1433206"	443.097246	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H+HCOOH"	47.012746
"223629"	424.10674	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+3H2O+2H"	56.04448
"1511328"	457.14929	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+IsoProp+H"	61.06479
"416121"	427.060688	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+Na+K"	61.952376
"773835"	625.102938	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+Na+K"	61.952376
"1668341"	229.018438	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Na+K"	61.952376
"253764"	856.184768	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+ACN+Na"	64.015768
"1228301"	460.100268	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+ACN+Na"	64.015768
"1715003"	460.123793	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+NH4+HCOOH"	64.039293
"1190203"	155.017384666667	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+3Na"	68.967654
"1663013"	465.079188	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Na+HCOOH"	68.994688
"170607"	869.08804	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+2K-H"	76.91904
"611384"	1265.17254	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+2K-H"	76.91904
"1094315"	473.00354	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2K-H"	76.91904
"148945"	435.047658	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"2M+2K"	77.926316
"588507"	633.089908	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"3M+2K"	77.926316
"1082619"	237.005408	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2K"	77.926316
"1106229"	475.018092	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2K+H"	78.933592
"1342613"	475.105707	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+DMSO+H"	79.021207
"1011144"	479.144876	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2ACN+H"	83.060376
"1531456"	480.138508	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+IsoProp+Na+H"	84.054008
"996810"	240.076076	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+2ACN+2H"	84.067652
"1591312"	481.053128	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+K+HCOOH"	84.968628
"1414294"	511.084638	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+H+CF3COOH"	115.000138
"1148718"	260.589351	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+3ACN+2H"	125.094202
"1697414"	528.111185	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+NH4+CF3COOH"	132.026685
"1646689"	533.06658	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+Na+CF3COOH"	136.98208
"1577964"	549.04052	"C12415"	"Methyl nogalonate;Nogalonic acid methyl ester;NAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxobutanoyl)-910-dihydroanthracen-2-ylacetate"	"C21H16O8"	"396.0845"	"M+K+CF3COOH"	152.95602
"808331"	382.0689	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M"	0
"978584"	363.05051	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-H2O-H"	-19.01839
"71198"	253.705324	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M-3H"	-3.021828
"508572"	381.061624	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M-3H"	-3.021828
"884184"	126.349024	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-3H"	-3.021828
"1663"	381.061624	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M-2H"	-2.014552
"442683"	572.096074	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M-2H"	-2.014552
"821212"	190.027174	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-2H"	-2.014552
"84483"	763.130524	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M-H"	-1.007276
"521134"	1145.199424	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M-H"	-1.007276
"901861"	381.061624	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-H"	-1.007276
"55139"	780.157071	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M-2H+NH4"	16.019271
"496887"	1162.225971	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M-2H+NH4"	16.019271
"874692"	398.088171	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-2H+NH4"	16.019271
"43688"	785.112466	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M-2H+Na"	20.974666
"485437"	1167.181366	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M-2H+Na"	20.974666
"859961"	403.043566	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-2H+Na"	20.974666
"1629491"	403.043566	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Na-2H"	20.974666
"107114"	399.049963	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M-H+Cl"	33.962126
"542298"	590.084413	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M-H+Cl"	33.962126
"931440"	208.015513	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-H+Cl"	33.962126
"278748"	799.107202	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+Cl"	34.969402
"671172"	1181.176102	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+Cl"	34.969402
"1282481"	417.038302	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Cl"	34.969402
"22850"	801.086406	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M-2H+K"	36.948606
"463504"	1183.155306	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M-2H+K"	36.948606
"838026"	419.017506	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-2H+K"	36.948606
"1559325"	419.017506	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+K-2H"	36.948606
"943926"	427.067094	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-H+HCOOH"	44.998194
"373083"	809.136001	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+HCOOH-H"	44.998201
"358059"	823.151651	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+Hac-H"	59.013851
"1504703"	441.082751	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Hac-H"	59.013851
"967870"	449.049051	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-H+NaCOOH"	66.980151
"122245"	417.038302	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+2Cl"	69.938804
"551963"	608.072752	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+2Cl"	69.938804
"1024044"	226.003852	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2Cl"	69.938804
"1245809"	460.987785	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Br"	78.918885
"1306069"	463.043772	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Cl+HCOOH"	80.974872
"1320648"	485.025729	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Cl+NaCOOH"	102.956829
"912804"	495.054486	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M-H+CF3COOH"	112.985586
"1296807"	531.031164	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Cl+CF3COOH"	148.962264
"1377155"	347.056224	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H-2H2O"	-35.012676
"1395387"	365.0662	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H-H2O"	-17.0027
"292155"	765.145076	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+H"	1.007276
"690171"	1147.213976	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+H"	1.007276
"1360928"	383.076176	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H"	1.007276
"128348"	383.076176	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+2H"	2.014552
"568636"	574.110626	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+2H"	2.014552
"1040354"	192.041726	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2H"	2.014552
"207891"	255.719876	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+3H"	3.021828
"649638"	383.076176	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+3H"	3.021828
"1168860"	128.363576	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+3H"	3.021828
"437605"	782.171623	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+NH4"	18.033823
"799700"	1164.240523	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+NH4"	18.033823
"1692747"	400.102723	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+NH4"	18.033823
"341756"	391.5894495	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+H+NH4"	19.041099
"730164"	582.6238995	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+H+NH4"	19.041099
"1489091"	200.5549995	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H+NH4"	19.041099
"403759"	787.127018	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+Na"	22.989218
"766947"	1169.195918	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+Na"	22.989218
"1613949"	405.058118	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Na"	22.989218
"323987"	394.067147	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+H+Na"	23.996494
"717500"	585.101597	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+H+Na"	23.996494
"1472416"	203.032697	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H+Na"	23.996494
"1066754"	135.69089	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2H+Na"	25.00377
"1272592"	415.102386	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+CH3OH+H"	33.033486
"392474"	803.100958	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+K"	38.963158
"750553"	1185.169858	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+K"	38.963158
"1551875"	421.032058	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+K"	38.963158
"308320"	402.054117	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+H+K"	39.970434
"703295"	593.088567	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+H+K"	39.970434
"1451281"	211.019667	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H+K"	39.970434
"240976"	806.171626	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+ACN+H"	42.033826
"1215871"	424.102726	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+ACN+H"	42.033826
"1204128"	212.555001	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+ACN+2H"	43.041102
"193717"	809.10896	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+2Na-H"	44.97116
"635464"	1191.17786	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+2Na-H"	44.97116
"1137876"	427.04006	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2Na-H"	44.97116
"184449"	405.058118	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+2Na"	45.978436
"619634"	596.092568	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+2Na"	45.978436
"1124235"	214.023668	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2Na"	45.978436
"1403017"	143.018204	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H+2Na"	46.985712
"1432950"	429.081646	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H+HCOOH"	47.012746
"223742"	410.09114	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+3H2O+2H"	56.04448
"1518369"	443.13369	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+IsoProp+H"	61.06479
"415137"	413.045088	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+Na+K"	61.952376
"777227"	604.079538	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+Na+K"	61.952376
"1668815"	222.010638	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Na+K"	61.952376
"253509"	828.153568	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+ACN+Na"	64.015768
"1230600"	446.084668	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+ACN+Na"	64.015768
"1722403"	446.108193	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+NH4+HCOOH"	64.039293
"1192142"	150.345518	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+3Na"	68.967654
"1663124"	451.063588	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Na+HCOOH"	68.994688
"172462"	841.05684	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+2K-H"	76.91904
"611615"	1223.12574	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+2K-H"	76.91904
"1095518"	458.98794	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2K-H"	76.91904
"147962"	421.032058	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"2M+2K"	77.926316
"585699"	612.066508	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"3M+2K"	77.926316
"1079690"	229.997608	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2K"	77.926316
"1109619"	461.002492	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2K+H"	78.933592
"1343817"	461.090107	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+DMSO+H"	79.021207
"1010160"	465.129276	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2ACN+H"	83.060376
"1532659"	466.122908	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+IsoProp+Na+H"	84.054008
"996919"	233.068276	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+2ACN+2H"	84.067652
"1588142"	467.037528	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+K+HCOOH"	84.968628
"1414311"	497.069038	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+H+CF3COOH"	115.000138
"1155025"	253.581551	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+3ACN+2H"	125.094202
"1697647"	514.095585	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+NH4+CF3COOH"	132.026685
"1638048"	519.05098	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+Na+CF3COOH"	136.98208
"1578074"	535.02492	"C12416"	"Nogalonate;Nogalonic acid"	"C20H14O8"	"382.0689"	"M+K+CF3COOH"	152.95602
"805161"	396.0845	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M"	0
"978694"	377.06611	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-H2O-H"	-19.01839
"71308"	263.049057333333	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M-3H"	-3.021828
"508682"	395.077224	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M-3H"	-3.021828
"882108"	131.020890666667	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-3H"	-3.021828
"2866"	395.077224	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M-2H"	-2.014552
"442430"	593.119474	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M-2H"	-2.014552
"821324"	197.034974	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-2H"	-2.014552
"84593"	791.161724	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M-H"	-1.007276
"521973"	1187.246224	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M-H"	-1.007276
"906346"	395.077224	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-H"	-1.007276
"56345"	808.188271	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M-2H+NH4"	16.019271
"494811"	1204.272771	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M-2H+NH4"	16.019271
"871521"	412.103771	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-2H+NH4"	16.019271
"42704"	813.143666	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M-2H+Na"	20.974666
"481170"	1209.228166	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M-2H+Na"	20.974666
"860071"	417.059166	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-2H+Na"	20.974666
"1630697"	417.059166	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Na-2H"	20.974666
"107225"	413.065563	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M-H+Cl"	33.962126
"543503"	611.107813	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M-H+Cl"	33.962126
"932643"	215.023313	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-H+Cl"	33.962126
"275578"	827.138402	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+Cl"	34.969402
"672011"	1223.222902	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+Cl"	34.969402
"1282591"	431.053902	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Cl"	34.969402
"26241"	829.117606	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M-2H+K"	36.948606
"463614"	1225.202106	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M-2H+K"	36.948606
"838136"	433.033106	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-2H+K"	36.948606
"1561624"	433.033106	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+K-2H"	36.948606
"947317"	441.082694	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-H+HCOOH"	44.998194
"376232"	837.167201	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+HCOOH-H"	44.998201
"360355"	851.182851	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+Hac-H"	59.013851
"1504813"	455.098351	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Hac-H"	59.013851
"967980"	463.064651	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-H+NaCOOH"	66.980151
"122355"	431.053902	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+2Cl"	69.938804
"555353"	629.096152	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+2Cl"	69.938804
"1024153"	233.011652	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2Cl"	69.938804
"1245920"	475.003385	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Br"	78.918885
"1304721"	477.059372	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Cl+HCOOH"	80.974872
"1321487"	499.041329	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Cl+NaCOOH"	102.956829
"914007"	509.070086	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M-H+CF3COOH"	112.985586
"1294729"	545.046764	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Cl+CF3COOH"	148.962264
"1373985"	361.071824	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H-2H2O"	-35.012676
"1396223"	379.0818	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H-H2O"	-17.0027
"294455"	793.176276	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+H"	1.007276
"691174"	1189.260776	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+H"	1.007276
"1365901"	397.091776	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H"	1.007276
"130646"	397.091776	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+2H"	2.014552
"568019"	595.134026	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+2H"	2.014552
"1039006"	199.049526	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2H"	2.014552
"208001"	265.063609333333	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+3H"	3.021828
"647561"	397.091776	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+3H"	3.021828
"1168970"	133.035442666667	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+3H"	3.021828
"437717"	810.202823	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+NH4"	18.033823
"799082"	1206.287323	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+NH4"	18.033823
"1695043"	414.118323	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+NH4"	18.033823
"340043"	405.6050495	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+H+NH4"	19.041099
"730274"	603.6472995	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+H+NH4"	19.041099
"1487378"	207.5627995	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H+NH4"	19.041099
"404962"	815.158218	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+Na"	22.989218
"767057"	1211.242718	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+Na"	22.989218
"1612602"	419.073718	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Na"	22.989218
"325919"	408.082747	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+H+Na"	23.996494
"719068"	606.124997	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+H+Na"	23.996494
"1474713"	210.040497	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H+Na"	23.996494
"1067594"	140.362756666667	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2H+Na"	25.00377
"1269635"	429.117986	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+CH3OH+H"	33.033486
"392544"	831.132158	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+K"	38.963158
"751392"	1227.216658	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+K"	38.963158
"1551256"	435.047658	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+K"	38.963158
"305149"	416.069717	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+H+K"	39.970434
"703041"	614.111967	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+H+K"	39.970434
"1453578"	218.027467	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H+K"	39.970434
"243273"	834.202826	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+ACN+H"	42.033826
"1219262"	438.118326	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+ACN+H"	42.033826
"1206791"	219.562801	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+ACN+2H"	43.041102
"192734"	837.14016	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+2Na-H"	44.97116
"635574"	1233.22466	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+2Na-H"	44.97116
"1136893"	441.05566	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2Na-H"	44.97116
"182372"	419.073718	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+2Na"	45.978436
"619746"	617.115968	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+2Na"	45.978436
"1124345"	221.031468	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2Na"	45.978436
"1405682"	147.690070666667	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H+2Na"	46.985712
"1433060"	443.097246	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H+HCOOH"	47.012746
"223124"	424.10674	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+3H2O+2H"	56.04448
"1517750"	457.14929	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+IsoProp+H"	61.06479
"414154"	427.060688	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+Na+K"	61.952376
"776244"	625.102938	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+Na+K"	61.952376
"1669288"	229.018438	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Na+K"	61.952376
"253984"	856.184768	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+ACN+Na"	64.015768
"1230710"	460.100268	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+ACN+Na"	64.015768
"1720691"	460.123793	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+NH4+HCOOH"	64.039293
"1192488"	155.017384666667	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+3Na"	68.967654
"1662503"	465.079188	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Na+HCOOH"	68.994688
"170096"	869.08804	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+2K-H"	76.91904
"612215"	1265.17254	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+2K-H"	76.91904
"1099277"	473.00354	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2K-H"	76.91904
"146976"	435.047658	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"2M+2K"	77.926316
"585443"	633.089908	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"3M+2K"	77.926316
"1075426"	237.005408	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2K"	77.926316
"1109729"	475.018092	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2K+H"	78.933592
"1345020"	475.105707	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+DMSO+H"	79.021207
"1010270"	479.144876	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2ACN+H"	83.060376
"1533862"	480.138508	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+IsoProp+Na+H"	84.054008
"997029"	240.076076	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+2ACN+2H"	84.067652
"1591532"	481.053128	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+K+HCOOH"	84.968628
"1417191"	511.084638	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+H+CF3COOH"	115.000138
"1155135"	260.589351	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+3ACN+2H"	125.094202
"1697231"	528.111185	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+NH4+CF3COOH"	132.026685
"1640344"	533.06658	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+Na+CF3COOH"	136.98208
"1578184"	549.04052	"C12417"	"Auraviketone"	"C21H16O8"	"396.0845"	"M+K+CF3COOH"	152.95602
"805271"	398.1002	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M"	0
"978804"	379.08181	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-H2O-H"	-19.01839
"71418"	264.392857333333	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M-3H"	-3.021828
"505875"	397.092924	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M-3H"	-3.021828
"884405"	131.692790666667	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-3H"	-3.021828
"4071"	397.092924	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M-2H"	-2.014552
"442540"	596.143024	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M-2H"	-2.014552
"821434"	198.042824	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-2H"	-2.014552
"85797"	795.193124	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M-H"	-1.007276
"520989"	1193.293324	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M-H"	-1.007276
"900983"	397.092924	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-H"	-1.007276
"55358"	812.219671	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M-2H+NH4"	16.019271
"492729"	1210.319871	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M-2H+NH4"	16.019271
"867977"	414.119471	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-2H+NH4"	16.019271
"37335"	817.175066	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M-2H+Na"	20.974666
"475804"	1215.275266	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M-2H+Na"	20.974666
"851424"	419.074866	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-2H+Na"	20.974666
"1618929"	419.074866	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Na-2H"	20.974666
"99678"	415.081263	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M-H+Cl"	33.962126
"538145"	614.131363	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M-H+Cl"	33.962126
"934941"	216.031163	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-H+Cl"	33.962126
"275688"	831.169802	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+Cl"	34.969402
"671393"	1229.270002	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+Cl"	34.969402
"1282701"	433.069602	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Cl"	34.969402
"26351"	833.149006	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M-2H+K"	36.948606
"463724"	1231.249206	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M-2H+K"	36.948606
"838246"	435.048806	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-2H+K"	36.948606
"1561734"	435.048806	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+K-2H"	36.948606
"945241"	443.098394	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-H+HCOOH"	44.998194
"374396"	841.198601	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+HCOOH-H"	44.998201
"358279"	855.214251	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+Hac-H"	59.013851
"1503830"	457.114051	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Hac-H"	59.013851
"968090"	465.080351	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-H+NaCOOH"	66.980151
"122465"	433.069602	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+2Cl"	69.938804
"555463"	632.119702	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+2Cl"	69.938804
"1024263"	234.019502	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2Cl"	69.938804
"1247124"	477.019085	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Br"	78.918885
"1307382"	479.075072	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Cl+HCOOH"	80.974872
"1320503"	501.057029	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Cl+NaCOOH"	102.956829
"913753"	511.085786	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M-H+CF3COOH"	112.985586
"1293746"	547.062464	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Cl+CF3COOH"	148.962264
"1373002"	363.087524	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H-2H2O"	-35.012676
"1396335"	381.0975	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H-H2O"	-17.0027
"295293"	797.207676	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+H"	1.007276
"689539"	1195.307876	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+H"	1.007276
"1365524"	399.107476	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H"	1.007276
"128933"	399.107476	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+2H"	2.014552
"568130"	598.157576	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+2H"	2.014552
"1040209"	200.057376	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2H"	2.014552
"208111"	266.407409333333	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+3H"	3.021828
"648764"	399.107476	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+3H"	3.021828
"1169080"	133.707342666667	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+3H"	3.021828
"436733"	814.234223	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+NH4"	18.033823
"796639"	1212.334423	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+NH4"	18.033823
"1695032"	416.134023	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+NH4"	18.033823
"341611"	407.6207495	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+H+NH4"	19.041099
"731479"	606.6708495	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+H+NH4"	19.041099
"1488583"	208.5706495	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H+NH4"	19.041099
"402886"	819.189618	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+Na"	22.989218
"766074"	1217.289818	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+Na"	22.989218
"1611983"	421.089418	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Na"	22.989218
"323840"	410.098447	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+H+Na"	23.996494
"716991"	609.148547	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+H+Na"	23.996494
"1473730"	211.048347	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H+Na"	23.996494
"1065882"	141.034656666667	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2H+Na"	25.00377
"1268651"	431.133686	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+CH3OH+H"	33.033486
"390872"	835.163558	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+K"	38.963158
"751866"	1233.263758	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+K"	38.963158
"1551002"	437.063358	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+K"	38.963158
"306353"	418.085417	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+H+K"	39.970434
"703151"	617.135517	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+H+K"	39.970434
"1457334"	219.035317	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H+K"	39.970434
"245570"	838.234226	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+ACN+H"	42.033826
"1220467"	440.134026	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+ACN+H"	42.033826
"1206901"	220.570651	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+ACN+2H"	43.041102
"195030"	841.17156	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+2Na-H"	44.97116
"635684"	1239.27176	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+2Na-H"	44.97116
"1138096"	443.07136	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2Na-H"	44.97116
"183212"	421.089418	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+2Na"	45.978436
"622041"	620.139518	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+2Na"	45.978436
"1123360"	222.039318	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2Na"	45.978436
"1404697"	148.361970666667	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H+2Na"	46.985712
"1433170"	445.112946	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H+HCOOH"	47.012746
"223234"	426.12244	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+3H2O+2H"	56.04448
"1514581"	459.16499	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+IsoProp+H"	61.06479
"412078"	429.076388	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+Na+K"	61.952376
"774166"	628.126488	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+Na+K"	61.952376
"1669035"	230.026288	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Na+K"	61.952376
"253365"	860.216168	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+ACN+Na"	64.015768
"1228633"	462.115968	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+ACN+Na"	64.015768
"1717522"	462.139493	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+NH4+HCOOH"	64.039293
"1188347"	155.689284666667	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+3Na"	68.967654
"1660427"	467.094888	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Na+HCOOH"	68.994688
"168383"	873.11944	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+2K-H"	76.91904
"612570"	1271.21964	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+2K-H"	76.91904
"1098899"	475.01924	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2K-H"	76.91904
"149273"	437.063358	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"2M+2K"	77.926316
"592112"	636.113458	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"3M+2K"	77.926316
"1074440"	238.013258	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2K"	77.926316
"1108746"	477.033792	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2K+H"	78.933592
"1346223"	477.121407	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+DMSO+H"	79.021207
"1011473"	481.160576	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2ACN+H"	83.060376
"1535066"	482.154208	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+IsoProp+Na+H"	84.054008
"996046"	241.083926	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+2ACN+2H"	84.067652
"1591642"	483.068828	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+K+HCOOH"	84.968628
"1417301"	513.100338	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+H+CF3COOH"	115.000138
"1155245"	261.597201	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+3ACN+2H"	125.094202
"1697181"	530.126885	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+NH4+CF3COOH"	132.026685
"1639361"	535.08228	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+Na+CF3COOH"	136.98208
"1578294"	551.05622	"C12418"	"Dihydro-NAME;Dihydro-nogalonic acid methyl ester"	"C21H18O8"	"398.1002"	"M+K+CF3COOH"	152.95602
"805381"	398.1002	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M"	0
"978914"	379.08181	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-H2O-H"	-19.01839
"71528"	264.392857333333	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M-3H"	-3.021828
"505985"	397.092924	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M-3H"	-3.021828
"884515"	131.692790666667	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-3H"	-3.021828
"6368"	397.092924	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M-2H"	-2.014552
"442286"	596.143024	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M-2H"	-2.014552
"822638"	198.042824	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-2H"	-2.014552
"84815"	795.193124	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M-H"	-1.007276
"521220"	1193.293324	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M-H"	-1.007276
"902186"	397.092924	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-H"	-1.007276
"55467"	812.219671	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M-2H+NH4"	16.019271
"492839"	1210.319871	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M-2H+NH4"	16.019271
"869546"	414.119471	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-2H+NH4"	16.019271
"39630"	817.175066	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M-2H+Na"	20.974666
"476279"	1215.275266	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M-2H+Na"	20.974666
"852627"	419.074866	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-2H+Na"	20.974666
"1619246"	419.074866	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Na-2H"	20.974666
"98694"	415.081263	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M-H+Cl"	33.962126
"539348"	614.131363	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M-H+Cl"	33.962126
"936144"	216.031163	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-H+Cl"	33.962126
"279078"	831.169802	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+Cl"	34.969402
"662754"	1229.270002	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+Cl"	34.969402
"1282811"	433.069602	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Cl"	34.969402
"26461"	833.149006	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M-2H+K"	36.948606
"458366"	1231.249206	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M-2H+K"	36.948606
"838356"	435.048806	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-2H+K"	36.948606
"1560750"	435.048806	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+K-2H"	36.948606
"945351"	443.098394	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-H+HCOOH"	44.998194
"363200"	841.198601	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+HCOOH-H"	44.998201
"350734"	855.214251	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+Hac-H"	59.013851
"1498472"	457.114051	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Hac-H"	59.013851
"969293"	465.080351	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-H+NaCOOH"	66.980151
"122575"	433.069602	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+2Cl"	69.938804
"555573"	632.119702	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+2Cl"	69.938804
"1024373"	234.019502	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2Cl"	69.938804
"1247598"	477.019085	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Br"	78.918885
"1307492"	479.075072	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Cl+HCOOH"	80.974872
"1319978"	501.057029	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Cl+NaCOOH"	102.956829
"912769"	511.085786	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M-H+CF3COOH"	112.985586
"1293856"	547.062464	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Cl+CF3COOH"	148.962264
"1374205"	363.087524	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H-2H2O"	-35.012676
"1395714"	381.0975	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H-H2O"	-17.0027
"296130"	797.207676	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+H"	1.007276
"688555"	1195.307876	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+H"	1.007276
"1361258"	399.107476	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H"	1.007276
"127583"	399.107476	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+2H"	2.014552
"567509"	598.157576	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+2H"	2.014552
"1041412"	200.057376	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2H"	2.014552
"207490"	266.407409333333	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+3H"	3.021828
"645590"	399.107476	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+3H"	3.021828
"1168095"	133.707342666667	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+3H"	3.021828
"437208"	814.234223	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+NH4"	18.033823
"798936"	1212.334423	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+NH4"	18.033823
"1695263"	416.134023	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+NH4"	18.033823
"343542"	407.6207495	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+H+NH4"	19.041099
"734869"	606.6708495	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+H+NH4"	19.041099
"1487600"	208.5706495	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H+NH4"	19.041099
"401902"	819.189618	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+Na"	22.989218
"767886"	1217.289818	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+Na"	22.989218
"1614279"	421.089418	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Na"	22.989218
"326500"	410.098447	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+H+Na"	23.996494
"716735"	609.148547	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+H+Na"	23.996494
"1472746"	211.048347	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H+Na"	23.996494
"1066356"	141.034656666667	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2H+Na"	25.00377
"1270827"	431.133686	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+CH3OH+H"	33.033486
"391711"	835.163558	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+K"	38.963158
"751976"	1233.263758	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+K"	38.963158
"1552204"	437.063358	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+K"	38.963158
"308649"	418.085417	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+H+K"	39.970434
"701072"	617.135517	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+H+K"	39.970434
"1455985"	219.035317	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H+K"	39.970434
"243493"	838.234226	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+ACN+H"	42.033826
"1218390"	440.134026	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+ACN+H"	42.033826
"1203365"	220.570651	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+ACN+2H"	43.041102
"194047"	841.17156	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+2Na-H"	44.97116
"634701"	1239.27176	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+2Na-H"	44.97116
"1137113"	443.07136	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2Na-H"	44.97116
"180406"	421.089418	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+2Na"	45.978436
"617779"	620.139518	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+2Na"	45.978436
"1122377"	222.039318	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2Na"	45.978436
"1401891"	148.361970666667	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H+2Na"	46.985712
"1431823"	445.112946	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H+HCOOH"	47.012746
"225530"	426.12244	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+3H2O+2H"	56.04448
"1515784"	459.16499	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+IsoProp+H"	61.06479
"415468"	429.076388	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+Na+K"	61.952376
"773184"	628.126488	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+Na+K"	61.952376
"1668418"	230.026288	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Na+K"	61.952376
"253596"	860.216168	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+ACN+Na"	64.015768
"1227283"	462.115968	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+ACN+Na"	64.015768
"1716538"	462.139493	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+NH4+HCOOH"	64.039293
"1189550"	155.689284666667	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+3Na"	68.967654
"1660535"	467.094888	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Na+HCOOH"	68.994688
"166306"	873.11944	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+2K-H"	76.91904
"608054"	1271.21964	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+2K-H"	76.91904
"1092567"	475.01924	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2K-H"	76.91904
"146103"	437.063358	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"2M+2K"	77.926316
"592221"	636.113458	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"3M+2K"	77.926316
"1069809"	238.013258	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2K"	77.926316
"1108856"	477.033792	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2K+H"	78.933592
"1346333"	477.121407	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+DMSO+H"	79.021207
"1013770"	481.160576	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2ACN+H"	83.060376
"1537363"	482.154208	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+IsoProp+Na+H"	84.054008
"997248"	241.083926	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+2ACN+2H"	84.067652
"1595032"	483.068828	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+K+HCOOH"	84.968628
"1418505"	513.100338	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+H+CF3COOH"	115.000138
"1155355"	261.597201	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+3ACN+2H"	125.094202
"1699440"	530.126885	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+NH4+CF3COOH"	132.026685
"1637285"	535.08228	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+Na+CF3COOH"	136.98208
"1578404"	551.05622	"C12419"	"Auramycinone"	"C21H18O8"	"398.1002"	"M+K+CF3COOH"	152.95602
"806584"	382.1053	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M"	0
"980117"	363.08691	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-H2O-H"	-19.01839
"71639"	253.729590666667	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M-3H"	-3.021828
"506826"	381.098024	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M-3H"	-3.021828
"881347"	126.361157333333	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-3H"	-3.021828
"1500"	381.098024	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M-2H"	-2.014552
"444946"	572.150674	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M-2H"	-2.014552
"820562"	190.045374	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-2H"	-2.014552
"84925"	763.203324	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M-H"	-1.007276
"520843"	1145.308624	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M-H"	-1.007276
"900109"	381.098024	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-H"	-1.007276
"58857"	780.229871	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M-2H+NH4"	16.019271
"490762"	1162.335171	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M-2H+NH4"	16.019271
"871844"	398.124571	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-2H+NH4"	16.019271
"37557"	785.185266	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M-2H+Na"	20.974666
"478213"	1167.290566	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M-2H+Na"	20.974666
"853830"	403.079966	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-2H+Na"	20.974666
"1622270"	403.079966	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Na-2H"	20.974666
"96610"	399.086363	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M-H+Cl"	33.962126
"536291"	590.139013	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M-H+Cl"	33.962126
"927986"	208.033713	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-H+Cl"	33.962126
"268367"	799.180002	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+Cl"	34.969402
"662864"	1181.285302	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+Cl"	34.969402
"1282921"	417.074702	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Cl"	34.969402
"26572"	801.159206	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M-2H+K"	36.948606
"465043"	1183.264506	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M-2H+K"	36.948606
"846124"	419.053906	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-2H+K"	36.948606
"1569977"	419.053906	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+K-2H"	36.948606
"954947"	427.103494	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-H+HCOOH"	44.998194
"375593"	809.208801	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+HCOOH-H"	44.998201
"360325"	823.224451	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+Hac-H"	59.013851
"1504420"	441.119151	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Hac-H"	59.013851
"970866"	449.085451	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-H+NaCOOH"	66.980151
"120501"	417.074702	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+2Cl"	69.938804
"563342"	608.127352	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+2Cl"	69.938804
"1027036"	226.022052	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2Cl"	69.938804
"1242118"	461.024185	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Br"	78.918885
"1308335"	463.080172	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Cl+HCOOH"	80.974872
"1321088"	485.062129	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Cl+NaCOOH"	102.956829
"912879"	495.090886	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M-H+CF3COOH"	112.985586
"1301626"	531.067564	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Cl+CF3COOH"	148.962264
"1381245"	347.092624	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H-2H2O"	-35.012676
"1396192"	365.1026	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H-H2O"	-17.0027
"290411"	765.217876	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+H"	1.007276
"683925"	1147.323176	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+H"	1.007276
"1359182"	383.112576	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H"	1.007276
"129519"	383.112576	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+2H"	2.014552
"567011"	574.165226	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+2H"	2.014552
"1040431"	192.059926	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2H"	2.014552
"208333"	255.744142666667	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+3H"	3.021828
"656279"	383.112576	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+3H"	3.021828
"1176597"	128.375709333333	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+3H"	3.021828
"438412"	782.244423	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+NH4"	18.033823
"797953"	1164.349723	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+NH4"	18.033823
"1695010"	400.139123	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+NH4"	18.033823
"344023"	391.6258495	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+H+NH4"	19.041099
"737171"	582.6784995	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+H+NH4"	19.041099
"1492086"	200.5731995	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H+NH4"	19.041099
"408299"	787.199818	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+Na"	22.989218
"769809"	1169.305118	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+Na"	22.989218
"1617686"	405.094518	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Na"	22.989218
"329545"	394.103547	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+H+Na"	23.996494
"722574"	585.156197	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+H+Na"	23.996494
"1476596"	203.050897	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H+Na"	23.996494
"1067444"	135.703023333333	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2H+Na"	25.00377
"1271062"	415.138786	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+CH3OH+H"	33.033486
"389269"	803.173758	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+K"	38.963158
"751357"	1185.279058	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+K"	38.963158
"1555235"	421.068458	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+K"	38.963158
"313502"	402.090517	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+H+K"	39.970434
"697904"	593.143167	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+H+K"	39.970434
"1450630"	211.037867	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H+K"	39.970434
"240323"	806.244426	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+ACN+H"	42.033826
"1215218"	424.139126	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+ACN+H"	42.033826
"1200195"	212.573201	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+ACN+2H"	43.041102
"197440"	809.18176	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+2Na-H"	44.97116
"637002"	1191.28706	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+2Na-H"	44.97116
"1140507"	427.07646	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2Na-H"	44.97116
"177237"	405.094518	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+2Na"	45.978436
"620076"	596.147168	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+2Na"	45.978436
"1120299"	214.041868	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2Na"	45.978436
"1403827"	143.030337333333	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H+2Na"	46.985712
"1432663"	429.118046	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H+HCOOH"	47.012746
"232208"	410.12754	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+3H2O+2H"	56.04448
"1514802"	443.17009	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+IsoProp+H"	61.06479
"412299"	413.081488	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+Na+K"	61.952376
"774387"	604.134138	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+Na+K"	61.952376
"1669624"	222.028838	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Na+K"	61.952376
"252860"	828.226368	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+ACN+Na"	64.015768
"1229582"	446.121068	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+ACN+Na"	64.015768
"1716647"	446.144593	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+NH4+HCOOH"	64.039293
"1188567"	150.357651333333	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+3Na"	68.967654
"1655180"	451.099988	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Na+HCOOH"	68.994688
"163136"	841.12964	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+2K-H"	76.91904
"602697"	1223.23494	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+2K-H"	76.91904
"1093770"	459.02434	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2K-H"	76.91904
"148400"	421.068458	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"2M+2K"	77.926316
"585772"	612.121108	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"3M+2K"	77.926316
"1071742"	230.015808	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2K"	77.926316
"1113950"	461.038892	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2K+H"	78.933592
"1347538"	461.126507	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+DMSO+H"	79.021207
"1016070"	465.165676	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2ACN+H"	83.060376
"1529819"	466.159308	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+IsoProp+Na+H"	84.054008
"997361"	233.086476	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+2ACN+2H"	84.067652
"1594052"	467.073928	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+K+HCOOH"	84.968628
"1421901"	497.105438	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+H+CF3COOH"	115.000138
"1156562"	253.599751	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+3ACN+2H"	125.094202
"1702831"	514.131985	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+NH4+CF3COOH"	132.026685
"1634596"	519.08738	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+Na+CF3COOH"	136.98208
"1578514"	535.06132	"C12420"	"12-Deoxyaklanonic acid"	"C21H18O7"	"382.1053"	"M+K+CF3COOH"	152.95602
"809974"	396.0845	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M"	0
"982414"	377.06611	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-H2O-H"	-19.01839
"71749"	263.049057333333	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M-3H"	-3.021828
"506936"	395.077224	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M-3H"	-3.021828
"881942"	131.020890666667	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-3H"	-3.021828
"2583"	395.077224	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M-2H"	-2.014552
"441533"	593.119474	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M-2H"	-2.014552
"818850"	197.034974	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-2H"	-2.014552
"83941"	791.161724	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M-H"	-1.007276
"520591"	1187.246224	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M-H"	-1.007276
"900583"	395.077224	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-H"	-1.007276
"54593"	808.188271	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M-2H+NH4"	16.019271
"491236"	1204.272771	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M-2H+NH4"	16.019271
"870861"	412.103771	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-2H+NH4"	16.019271
"34751"	813.143666	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M-2H+Na"	20.974666
"477230"	1209.228166	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M-2H+Na"	20.974666
"852116"	417.059166	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-2H+Na"	20.974666
"1620557"	417.059166	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Na-2H"	20.974666
"95138"	413.065563	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M-H+Cl"	33.962126
"537739"	611.107813	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M-H+Cl"	33.962126
"929797"	215.023313	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-H+Cl"	33.962126
"268477"	827.138402	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+Cl"	34.969402
"664067"	1223.222902	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+Cl"	34.969402
"1279751"	431.053902	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Cl"	34.969402
"23402"	829.117606	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M-2H+K"	36.948606
"468434"	1225.202106	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M-2H+K"	36.948606
"844046"	433.033106	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-2H+K"	36.948606
"1569722"	433.033106	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+K-2H"	36.948606
"957853"	441.082694	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-H+HCOOH"	44.998194
"376027"	837.167201	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+HCOOH-H"	44.998201
"357515"	851.182851	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+Hac-H"	59.013851
"1504895"	455.098351	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Hac-H"	59.013851
"973448"	463.064651	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-H+NaCOOH"	66.980151
"117329"	431.053902	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+2Cl"	69.938804
"564789"	629.096152	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+2Cl"	69.938804
"1027146"	233.011652	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2Cl"	69.938804
"1242349"	475.003385	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Br"	78.918885
"1309902"	477.059372	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Cl+HCOOH"	80.974872
"1320224"	499.041329	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Cl+NaCOOH"	102.956829
"912138"	509.070086	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M-H+CF3COOH"	112.985586
"1302464"	545.046764	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Cl+CF3COOH"	148.962264
"1380992"	361.071824	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H-2H2O"	-35.012676
"1395938"	379.0818	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H-H2O"	-17.0027
"294896"	793.176276	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+H"	1.007276
"687315"	1189.260776	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+H"	1.007276
"1364031"	397.091776	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H"	1.007276
"135461"	397.091776	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+2H"	2.014552
"568462"	595.134026	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+2H"	2.014552
"1041636"	199.049526	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2H"	2.014552
"208443"	265.063609333333	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+3H"	3.021828
"656753"	397.091776	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+3H"	3.021828
"1173426"	133.035442666667	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+3H"	3.021828
"438888"	810.202823	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+NH4"	18.033823
"795871"	1206.287323	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+NH4"	18.033823
"1694756"	414.118323	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+NH4"	18.033823
"344497"	405.6050495	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+H+NH4"	19.041099
"736188"	603.6472995	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+H+NH4"	19.041099
"1491102"	207.5627995	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H+NH4"	19.041099
"408457"	815.158218	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+Na"	22.989218
"769323"	1211.242718	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+Na"	22.989218
"1618320"	419.073718	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Na"	22.989218
"329737"	408.082747	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+H+Na"	23.996494
"722712"	606.124997	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+H+Na"	23.996494
"1476998"	210.040497	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H+Na"	23.996494
"1068406"	140.362756666667	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2H+Na"	25.00377
"1270079"	429.117986	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+CH3OH+H"	33.033486
"388649"	831.132158	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+K"	38.963158
"750738"	1227.216658	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+K"	38.963158
"1552791"	435.047658	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+K"	38.963158
"313247"	416.069717	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+H+K"	39.970434
"698014"	614.111967	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+H+K"	39.970434
"1448914"	218.027467	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H+K"	39.970434
"240431"	834.202826	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+ACN+H"	42.033826
"1213142"	438.118326	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+ACN+H"	42.033826
"1199212"	219.562801	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+ACN+2H"	43.041102
"190988"	837.14016	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+2Na-H"	44.97116
"639298"	1233.22466	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+2Na-H"	44.97116
"1140617"	441.05566	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2Na-H"	44.97116
"177347"	419.073718	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+2Na"	45.978436
"618001"	617.115968	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+2Na"	45.978436
"1119681"	221.031468	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2Na"	45.978436
"1400658"	147.690070666667	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H+2Na"	46.985712
"1432773"	443.097246	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H+HCOOH"	47.012746
"233776"	424.10674	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+3H2O+2H"	56.04448
"1516005"	457.14929	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+IsoProp+H"	61.06479
"411316"	427.060688	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+Na+K"	61.952376
"774497"	625.102938	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+Na+K"	61.952376
"1669734"	229.018438	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Na+K"	61.952376
"252238"	856.184768	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+ACN+Na"	64.015768
"1228964"	460.100268	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+ACN+Na"	64.015768
"1716757"	460.123793	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+NH4+HCOOH"	64.039293
"1190862"	155.017384666667	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+3Na"	68.967654
"1659663"	465.079188	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Na+HCOOH"	68.994688
"167619"	869.08804	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+2K-H"	76.91904
"607181"	1265.17254	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+2K-H"	76.91904
"1092786"	473.00354	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2K-H"	76.91904
"147416"	435.047658	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"2M+2K"	77.926316
"585152"	633.089908	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"3M+2K"	77.926316
"1071121"	237.005408	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2K"	77.926316
"1104700"	475.018092	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2K+H"	78.933592
"1348621"	475.105707	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+DMSO+H"	79.021207
"1017273"	479.144876	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2ACN+H"	83.060376
"1529929"	480.138508	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+IsoProp+Na+H"	84.054008
"997471"	240.076076	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+2ACN+2H"	84.067652
"1591974"	481.053128	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+K+HCOOH"	84.968628
"1422011"	511.084638	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+H+CF3COOH"	115.000138
"1155578"	260.589351	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+3ACN+2H"	125.094202
"1702941"	528.111185	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+NH4+CF3COOH"	132.026685
"1634949"	533.06658	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+Na+CF3COOH"	136.98208
"1578624"	549.04052	"C12421"	"Aklanonate;Aklanonic acid;45-Dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetic acid"	"C21H16O8"	"396.0845"	"M+K+CF3COOH"	152.95602
"808991"	410.1002	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M"	0
"981431"	391.08181	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-H2O-H"	-19.01839
"71859"	272.392857333333	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M-3H"	-3.021828
"503766"	409.092924	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M-3H"	-3.021828
"880836"	135.692790666667	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-3H"	-3.021828
"1233"	409.092924	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M-2H"	-2.014552
"441888"	614.143024	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M-2H"	-2.014552
"821873"	204.042824	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-2H"	-2.014552
"81867"	819.193124	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M-H"	-1.007276
"521426"	1229.293324	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M-H"	-1.007276
"898143"	409.092924	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-H"	-1.007276
"53609"	836.219671	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M-2H+NH4"	16.019271
"489889"	1246.319871	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M-2H+NH4"	16.019271
"866597"	426.119471	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-2H+NH4"	16.019271
"33404"	841.175066	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M-2H+Na"	20.974666
"477340"	1251.275266	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M-2H+Na"	20.974666
"850040"	431.074866	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-2H+Na"	20.974666
"1621397"	431.074866	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Na-2H"	20.974666
"97196"	427.081263	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M-H+Cl"	33.962126
"537486"	632.131363	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M-H+Cl"	33.962126
"929910"	222.031163	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-H+Cl"	33.962126
"267739"	855.169802	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+Cl"	34.969402
"664177"	1265.270002	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+Cl"	34.969402
"1283141"	445.069602	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Cl"	34.969402
"23512"	857.149006	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M-2H+K"	36.948606
"468543"	1267.249206	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M-2H+K"	36.948606
"843062"	447.048806	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-2H+K"	36.948606
"1569833"	447.048806	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+K-2H"	36.948606
"957231"	455.098394	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-H+HCOOH"	44.998194
"376299"	865.198601	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+HCOOH-H"	44.998201
"357625"	879.214251	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+Hac-H"	59.013851
"1506097"	469.114051	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Hac-H"	59.013851
"968532"	477.080351	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-H+NaCOOH"	66.980151
"115252"	445.069602	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+2Cl"	69.938804
"561374"	650.119702	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+2Cl"	69.938804
"1026891"	240.019502	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2Cl"	69.938804
"1243188"	489.019085	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Br"	78.918885
"1304665"	491.075072	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Cl+HCOOH"	80.974872
"1319941"	513.057029	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Cl+NaCOOH"	102.956829
"911412"	523.085786	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M-H+CF3COOH"	112.985586
"1303955"	559.062464	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Cl+CF3COOH"	148.962264
"1382278"	375.087524	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H-2H2O"	-35.012676
"1397628"	393.0975	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H-H2O"	-17.0027
"296827"	821.207676	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+H"	1.007276
"689977"	1231.307876	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+H"	1.007276
"1364141"	411.107476	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H"	1.007276
"135207"	411.107476	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+2H"	2.014552
"570759"	616.157576	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+2H"	2.014552
"1041743"	206.057376	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2H"	2.014552
"207457"	274.407409333333	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+3H"	3.021828
"651395"	411.107476	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+3H"	3.021828
"1168428"	137.707342666667	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+3H"	3.021828
"430609"	838.234223	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+NH4"	18.033823
"793794"	1248.334423	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+NH4"	18.033823
"1693406"	428.134023	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+NH4"	18.033823
"341691"	419.6207495	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+H+NH4"	19.041099
"735932"	624.6708495	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+H+NH4"	19.041099
"1491212"	214.5706495	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H+NH4"	19.041099
"406981"	843.189618	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+Na"	22.989218
"767610"	1253.289818	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+Na"	22.989218
"1617168"	433.089418	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Na"	22.989218
"329030"	422.098447	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+H+Na"	23.996494
"722585"	627.148547	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+H+Na"	23.996494
"1475266"	217.048347	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H+Na"	23.996494
"1067300"	145.034656666667	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2H+Na"	25.00377
"1271281"	443.133686	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+CH3OH+H"	33.033486
"390582"	859.163558	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+K"	38.963158
"750848"	1269.263758	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+K"	38.963158
"1552901"	449.063358	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+K"	38.963158
"308982"	430.085417	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+H+K"	39.970434
"700311"	635.135517	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+H+K"	39.970434
"1448661"	225.035317	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H+K"	39.970434
"239450"	862.234226	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+ACN+H"	42.033826
"1211429"	452.134026	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+ACN+H"	42.033826
"1197135"	226.570651	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+ACN+2H"	43.041102
"192192"	865.17156	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+2Na-H"	44.97116
"635034"	1275.27176	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+2Na-H"	44.97116
"1136353"	455.07136	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2Na-H"	44.97116
"179645"	433.089418	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+2Na"	45.978436
"618111"	638.139518	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+2Na"	45.978436
"1119427"	228.039318	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2Na"	45.978436
"1399795"	152.361970666667	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H+2Na"	46.985712
"1430696"	457.112946	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H+HCOOH"	47.012746
"232063"	438.12244	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+3H2O+2H"	56.04448
"1516113"	471.16499	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+IsoProp+H"	61.06479
"409967"	441.076388	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+Na+K"	61.952376
"771325"	646.126488	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+Na+K"	61.952376
"1669844"	236.026288	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Na+K"	61.952376
"252106"	884.216168	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+ACN+Na"	64.015768
"1229074"	474.115968	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+ACN+Na"	64.015768
"1713951"	474.139493	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+NH4+HCOOH"	64.039293
"1187692"	159.689284666667	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+3Na"	68.967654
"1659773"	479.094888	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Na+HCOOH"	68.994688
"169916"	897.11944	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+2K-H"	76.91904
"606197"	1307.21964	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+2K-H"	76.91904
"1088524"	487.01924	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2K-H"	76.91904
"144244"	449.063358	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"2M+2K"	77.926316
"583197"	654.113458	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"3M+2K"	77.926316
"1072690"	244.013258	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2K"	77.926316
"1101892"	489.033792	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2K+H"	78.933592
"1347758"	489.121407	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+DMSO+H"	79.021207
"1017383"	493.160576	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2ACN+H"	83.060376
"1530039"	494.154208	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+IsoProp+Na+H"	84.054008
"998674"	247.083926	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+2ACN+2H"	84.067652
"1593179"	495.068828	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+K+HCOOH"	84.968628
"1422121"	525.100338	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+H+CF3COOH"	115.000138
"1155688"	267.597201	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+3ACN+2H"	125.094202
"1703051"	542.126885	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+NH4+CF3COOH"	132.026685
"1634692"	547.08228	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+Na+CF3COOH"	136.98208
"1578734"	563.05622	"C12422"	"Methyl aklanonate;Aklanonic acid methyl ester;AAME;Methyl 45-dihydroxy-910-dioxo-3-(3-oxopentanoyl)-910-dihydroanthracen-2-ylacetate"	"C22H18O8"	"410.1002"	"M+K+CF3COOH"	152.95602
"809101"	410.1002	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M"	0
"982636"	391.08181	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-H2O-H"	-19.01839
"65411"	272.392857333333	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M-3H"	-3.021828
"503877"	409.092924	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M-3H"	-3.021828
"882770"	135.692790666667	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-3H"	-3.021828
"3895"	409.092924	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M-2H"	-2.014552
"443090"	614.143024	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M-2H"	-2.014552
"820164"	204.042824	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-2H"	-2.014552
"83071"	819.193124	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M-H"	-1.007276
"522633"	1229.293324	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M-H"	-1.007276
"900440"	409.092924	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-H"	-1.007276
"50441"	836.219671	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M-2H+NH4"	16.019271
"494375"	1246.319871	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M-2H+NH4"	16.019271
"872177"	426.119471	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-2H+NH4"	16.019271
"36798"	841.175066	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M-2H+Na"	20.974666
"479640"	1251.275266	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M-2H+Na"	20.974666
"853066"	431.074866	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-2H+Na"	20.974666
"1621507"	431.074866	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Na-2H"	20.974666
"96946"	427.081263	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M-H+Cl"	33.962126
"541976"	632.131363	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M-H+Cl"	33.962126
"928928"	222.031163	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-H+Cl"	33.962126
"268092"	855.169802	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+Cl"	34.969402
"666474"	1265.270002	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+Cl"	34.969402
"1281067"	445.069602	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Cl"	34.969402
"24717"	857.149006	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M-2H+K"	36.948606
"468652"	1267.249206	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M-2H+K"	36.948606
"842078"	447.048806	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-2H+K"	36.948606
"1568847"	447.048806	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+K-2H"	36.948606
"954912"	455.098394	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-H+HCOOH"	44.998194
"370571"	865.198601	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+HCOOH-H"	44.998201
"354455"	879.214251	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+Hac-H"	59.013851
"1505112"	469.114051	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Hac-H"	59.013851
"962079"	477.080351	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-H+NaCOOH"	66.980151
"115726"	445.069602	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+2Cl"	69.938804
"560391"	650.119702	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+2Cl"	69.938804
"1024448"	240.019502	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2Cl"	69.938804
"1242204"	489.019085	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Br"	78.918885
"1304687"	491.075072	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Cl+HCOOH"	80.974872
"1320564"	513.057029	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Cl+NaCOOH"	102.956829
"911623"	523.085786	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M-H+CF3COOH"	112.985586
"1303049"	559.062464	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Cl+CF3COOH"	148.962264
"1381210"	375.087524	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H-2H2O"	-35.012676
"1398394"	393.0975	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H-H2O"	-17.0027
"298033"	821.207676	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+H"	1.007276
"689723"	1231.307876	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+H"	1.007276
"1364251"	411.107476	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H"	1.007276
"135681"	411.107476	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+2H"	2.014552
"567589"	616.157576	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+2H"	2.014552
"1040759"	206.057376	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2H"	2.014552
"208662"	274.407409333333	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+3H"	3.021828
"652599"	411.107476	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+3H"	3.021828
"1170725"	137.707342666667	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+3H"	3.021828
"434003"	838.234223	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+NH4"	18.033823
"799373"	1248.334423	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+NH4"	18.033823
"1695705"	428.134023	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+NH4"	18.033823
"345202"	419.6207495	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+H+NH4"	19.041099
"734218"	624.6708495	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+H+NH4"	19.041099
"1492418"	214.5706495	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H+NH4"	19.041099
"407817"	843.189618	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+Na"	22.989218
"768451"	1253.289818	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+Na"	22.989218
"1618089"	433.089418	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Na"	22.989218
"329753"	422.098447	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+H+Na"	23.996494
"722770"	627.148547	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+H+Na"	23.996494
"1477006"	217.048347	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H+Na"	23.996494
"1068018"	145.034656666667	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2H+Na"	25.00377
"1269567"	443.133686	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+CH3OH+H"	33.033486
"390692"	859.163558	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+K"	38.963158
"750958"	1269.263758	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+K"	38.963158
"1551918"	449.063358	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+K"	38.963158
"309092"	430.085417	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+H+K"	39.970434
"693858"	635.135517	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+H+K"	39.970434
"1452052"	225.035317	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H+K"	39.970434
"240654"	862.234226	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+ACN+H"	42.033826
"1214455"	452.134026	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+ACN+H"	42.033826
"1199431"	226.570651	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+ACN+2H"	43.041102
"192664"	865.17156	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+2Na-H"	44.97116
"637330"	1275.27176	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+2Na-H"	44.97116
"1140836"	455.07136	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2Na-H"	44.97116
"180847"	433.089418	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+2Na"	45.978436
"616032"	638.139518	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+2Na"	45.978436
"1118809"	228.039318	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2Na"	45.978436
"1400878"	152.361970666667	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H+2Na"	46.985712
"1430805"	457.112946	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H+HCOOH"	47.012746
"221594"	438.12244	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+3H2O+2H"	56.04448
"1517317"	471.16499	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+IsoProp+H"	61.06479
"412627"	441.076388	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+Na+K"	61.952376
"772891"	646.126488	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+Na+K"	61.952376
"1668861"	236.026288	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Na+K"	61.952376
"256475"	884.216168	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+ACN+Na"	64.015768
"1228091"	474.115968	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+ACN+Na"	64.015768
"1720258"	474.139493	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+NH4+HCOOH"	64.039293
"1187802"	159.689284666667	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+3Na"	68.967654
"1656604"	479.094888	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Na+HCOOH"	68.994688
"167840"	897.11944	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+2K-H"	76.91904
"609587"	1307.21964	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+2K-H"	76.91904
"1088634"	487.01924	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2K-H"	76.91904
"149824"	449.063358	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"2M+2K"	77.926316
"590476"	654.113458	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"3M+2K"	77.926316
"1078270"	244.013258	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2K"	77.926316
"1101643"	489.033792	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2K+H"	78.933592
"1338027"	489.121407	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+DMSO+H"	79.021207
"1009837"	493.160576	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2ACN+H"	83.060376
"1529055"	494.154208	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+IsoProp+Na+H"	84.054008
"991496"	247.083926	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+2ACN+2H"	84.067652
"1591102"	495.068828	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+K+HCOOH"	84.968628
"1418950"	525.100338	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+H+CF3COOH"	115.000138
"1155797"	267.597201	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+3ACN+2H"	125.094202
"1706442"	542.126885	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+NH4+CF3COOH"	132.026685
"1634562"	547.08228	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+Na+CF3COOH"	136.98208
"1575560"	563.05622	"C12423"	"Aklaviketone;Methyl (1R2R)-2-ethyl-257-trihydroxy-4611-trioxo-1234611-hexahydrotetracene-1-carboxylate"	"C22H18O8"	"410.1002"	"M+K+CF3COOH"	152.95602
"809209"	412.1158	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M"	0
"979460"	393.09741	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-H2O-H"	-19.01839
"68797"	273.736590666667	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M-3H"	-3.021828
"510543"	411.108524	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M-3H"	-3.021828
"883971"	136.364657333333	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-3H"	-3.021828
"5825"	411.108524	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M-2H"	-2.014552
"449758"	617.166424	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M-2H"	-2.014552
"829747"	205.050624	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-2H"	-2.014552
"86458"	823.224324	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M-H"	-1.007276
"526020"	1235.340124	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M-H"	-1.007276
"900907"	411.108524	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-H"	-1.007276
"56006"	840.250871	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M-2H+NH4"	16.019271
"492655"	1252.366671	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M-2H+NH4"	16.019271
"870456"	428.135071	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-2H+NH4"	16.019271
"39086"	845.206266	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M-2H+Na"	20.974666
"478653"	1257.322066	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M-2H+Na"	20.974666
"854268"	433.090466	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-2H+Na"	20.974666
"1623801"	433.090466	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Na-2H"	20.974666
"97411"	429.096863	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M-H+Cl"	33.962126
"536608"	635.154763	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M-H+Cl"	33.962126
"929031"	223.038963	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-H+Cl"	33.962126
"267279"	859.201002	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+Cl"	34.969402
"666581"	1271.316802	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+Cl"	34.969402
"1272889"	447.085202	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Cl"	34.969402
"18383"	861.180206	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M-2H+K"	36.948606
"455994"	1273.296006	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M-2H+K"	36.948606
"839998"	449.064406	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-2H+K"	36.948606
"1559112"	449.064406	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+K-2H"	36.948606
"943061"	457.113994	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-H+HCOOH"	44.998194
"364480"	869.229801	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+HCOOH-H"	44.998201
"346905"	883.245451	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+Hac-H"	59.013851
"1495733"	471.129651	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Hac-H"	59.013851
"959144"	479.095951	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-H+NaCOOH"	66.980151
"111453"	447.085202	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+2Cl"	69.938804
"550287"	653.143102	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+2Cl"	69.938804
"1024557"	241.027302	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2Cl"	69.938804
"1244138"	491.034685	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Br"	78.918885
"1304759"	493.090672	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Cl+HCOOH"	80.974872
"1321528"	515.072629	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Cl+NaCOOH"	102.956829
"912588"	525.101386	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M-H+CF3COOH"	112.985586
"1302431"	561.078064	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Cl+CF3COOH"	148.962264
"1379133"	377.103124	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H-2H2O"	-35.012676
"1397605"	395.1131	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H-H2O"	-17.0027
"295226"	825.238876	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+H"	1.007276
"690197"	1237.354676	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+H"	1.007276
"1364361"	413.123076	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H"	1.007276
"135791"	413.123076	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+2H"	2.014552
"566605"	619.180976	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+2H"	2.014552
"1038681"	207.065176	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2H"	2.014552
"209867"	275.751142666667	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+3H"	3.021828
"652712"	413.123076	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+3H"	3.021828
"1169745"	138.379209333333	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+3H"	3.021828
"436300"	842.265423	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+NH4"	18.033823
"798390"	1254.381223	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+NH4"	18.033823
"1695089"	430.149623	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+NH4"	18.033823
"342639"	421.6363495	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+H+NH4"	19.041099
"732142"	627.6942495	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+H+NH4"	19.041099
"1490338"	215.5784495	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H+NH4"	19.041099
"406472"	847.220818	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+Na"	22.989218
"768562"	1259.336618	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+Na"	22.989218
"1615930"	435.105018	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Na"	22.989218
"329371"	424.114047	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+H+Na"	23.996494
"721181"	630.171947	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+H+Na"	23.996494
"1474758"	218.056147	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H+Na"	23.996494
"1067884"	145.706523333333	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2H+Na"	25.00377
"1270405"	445.149286	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+CH3OH+H"	33.033486
"390438"	863.194758	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+K"	38.963158
"747788"	1275.310558	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+K"	38.963158
"1550570"	451.078958	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+K"	38.963158
"302641"	432.101017	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+H+K"	39.970434
"699437"	638.158917	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+H+K"	39.970434
"1456535"	226.043117	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H+K"	39.970434
"244042"	866.265426	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+ACN+H"	42.033826
"1218937"	454.149626	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+ACN+H"	42.033826
"1200634"	227.578451	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+ACN+2H"	43.041102
"194595"	869.20276	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+2Na-H"	44.97116
"635252"	1281.31856	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+2Na-H"	44.97116
"1137666"	457.08696	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2Na-H"	44.97116
"182050"	435.105018	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+2Na"	45.978436
"617237"	641.162918	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+2Na"	45.978436
"1121834"	229.047118	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2Na"	45.978436
"1404267"	153.033837333333	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H+2Na"	46.985712
"1435287"	459.128546	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H+HCOOH"	47.012746
"224254"	440.13804	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+3H2O+2H"	56.04448
"1518156"	473.18059	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+IsoProp+H"	61.06479
"416016"	443.091988	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+Na+K"	61.952376
"778102"	649.149888	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+Na+K"	61.952376
"1669698"	237.034088	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Na+K"	61.952376
"254762"	888.247368	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+ACN+Na"	64.015768
"1228201"	476.131568	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+ACN+Na"	64.015768
"1715993"	476.155093	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+NH4+HCOOH"	64.039293
"1183536"	160.361151333333	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+3Na"	68.967654
"1657806"	481.110488	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Na+HCOOH"	68.994688
"163575"	901.15064	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+2K-H"	76.91904
"604230"	1313.26644	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+2K-H"	76.91904
"1088744"	489.03484	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2K-H"	76.91904
"147745"	451.078958	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"2M+2K"	77.926316
"586212"	657.136858	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"3M+2K"	77.926316
"1078380"	245.021058	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2K"	77.926316
"1102846"	491.049392	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2K+H"	78.933592
"1338501"	491.137007	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+DMSO+H"	79.021207
"1012133"	495.176176	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2ACN+H"	83.060376
"1526979"	496.169808	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+IsoProp+Na+H"	84.054008
"994522"	248.091726	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+2ACN+2H"	84.067652
"1593399"	497.084428	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+K+HCOOH"	84.968628
"1422340"	527.115938	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+H+CF3COOH"	115.000138
"1155907"	268.605001	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+3ACN+2H"	125.094202
"1706552"	544.142485	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+NH4+CF3COOH"	132.026685
"1634551"	549.09788	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+Na+CF3COOH"	136.98208
"1575670"	565.07182	"C12424"	"Aklavinone"	"C22H20O8"	"412.1158"	"M+K+CF3COOH"	152.95602
"809319"	428.1107	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M"	0
"977018"	409.09231	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-H2O-H"	-19.01839
"68906"	284.399857333333	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M-3H"	-3.021828
"507373"	427.103424	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M-3H"	-3.021828
"884081"	141.696290666667	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-3H"	-3.021828
"8123"	427.103424	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M-2H"	-2.014552
"450962"	641.158774	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M-2H"	-2.014552
"821110"	213.048074	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-2H"	-2.014552
"83289"	855.214124	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M-H"	-1.007276
"527224"	1283.324824	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M-H"	-1.007276
"900653"	427.103424	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-H"	-1.007276
"51742"	872.240671	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M-2H+NH4"	16.019271
"492401"	1300.351371	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M-2H+NH4"	16.019271
"872389"	444.129971	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-2H+NH4"	16.019271
"38103"	877.196066	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M-2H+Na"	20.974666
"479859"	1305.306766	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M-2H+Na"	20.974666
"856567"	449.085366	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-2H+Na"	20.974666
"1625005"	449.085366	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Na-2H"	20.974666
"97161"	445.091763	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M-H+Cl"	33.962126
"535022"	659.147113	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M-H+Cl"	33.962126
"929506"	231.036413	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-H+Cl"	33.962126
"267823"	891.190802	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+Cl"	34.969402
"666691"	1319.301502	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+Cl"	34.969402
"1273621"	463.080102	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Cl"	34.969402
"18372"	893.170006	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M-2H+K"	36.948606
"457080"	1321.280706	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M-2H+K"	36.948606
"837921"	465.059306	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-2H+K"	36.948606
"1559221"	465.059306	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+K-2H"	36.948606
"943699"	473.108894	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-H+HCOOH"	44.998194
"362767"	901.219601	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+HCOOH-H"	44.998201
"348474"	915.235251	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+Hac-H"	59.013851
"1493779"	487.124551	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Hac-H"	59.013851
"961202"	495.090851	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-H+NaCOOH"	66.980151
"113391"	463.080102	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+2Cl"	69.938804
"551007"	677.135452	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+2Cl"	69.938804
"1026491"	249.024752	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2Cl"	69.938804
"1243881"	507.029585	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Br"	78.918885
"1306692"	509.085572	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Cl+HCOOH"	80.974872
"1322001"	531.067529	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Cl+NaCOOH"	102.956829
"911475"	541.096286	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M-H+CF3COOH"	112.985586
"1303267"	577.072964	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Cl+CF3COOH"	148.962264
"1377055"	393.098024	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H-2H2O"	-35.012676
"1396011"	411.108	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H-H2O"	-17.0027
"293148"	857.228676	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+H"	1.007276
"690307"	1285.339376	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+H"	1.007276
"1365928"	429.117976	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H"	1.007276
"135901"	429.117976	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+2H"	2.014552
"568172"	643.173326	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+2H"	2.014552
"1038184"	215.062626	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2H"	2.014552
"216538"	286.414409333333	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+3H"	3.021828
"653915"	429.117976	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+3H"	3.021828
"1169855"	143.710842666667	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+3H"	3.021828
"436410"	874.255223	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+NH4"	18.033823
"799594"	1302.365923	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+NH4"	18.033823
"1695925"	446.144523	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+NH4"	18.033823
"343476"	437.6312495	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+H+NH4"	19.041099
"737356"	651.6865995	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+H+NH4"	19.041099
"1492149"	223.5758995	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H+NH4"	19.041099
"407791"	879.210618	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+Na"	22.989218
"768550"	1307.321318	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+Na"	22.989218
"1618106"	451.099918	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Na"	22.989218
"327532"	440.108947	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+H+Na"	23.996494
"720804"	654.164297	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+H+Na"	23.996494
"1475719"	226.053597	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H+Na"	23.996494
"1068199"	151.038156666667	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2H+Na"	25.00377
"1268329"	461.144186	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+CH3OH+H"	33.033486
"386903"	895.184558	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+K"	38.963158
"748991"	1323.295258	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+K"	38.963158
"1551044"	467.073858	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+K"	38.963158
"303844"	448.095917	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+H+K"	39.970434
"699547"	662.151267	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+H+K"	39.970434
"1456645"	234.040567	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H+K"	39.970434
"246339"	898.255226	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+ACN+H"	42.033826
"1219047"	470.144526	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+ACN+H"	42.033826
"1202928"	235.575901	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+ACN+2H"	43.041102
"195069"	901.19256	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+2Na-H"	44.97116
"636455"	1329.30326	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+2Na-H"	44.97116
"1137776"	473.08186	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2Na-H"	44.97116
"181067"	451.099918	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+2Na"	45.978436
"618442"	665.155268	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+2Na"	45.978436
"1120851"	237.044568	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2Na"	45.978436
"1404380"	158.365470666667	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H+2Na"	46.985712
"1433214"	475.123446	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H+HCOOH"	47.012746
"227283"	456.13294	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+3H2O+2H"	56.04448
"1517537"	489.17549	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+IsoProp+H"	61.06479
"413942"	459.086888	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+Na+K"	61.952376
"774205"	673.142238	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+Na+K"	61.952376
"1666892"	245.031538	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Na+K"	61.952376
"253779"	920.237168	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+ACN+Na"	64.015768
"1233779"	492.126468	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+ACN+Na"	64.015768
"1723762"	492.149993	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+NH4+HCOOH"	64.039293
"1186929"	165.692784666667	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+3Na"	68.967654
"1656823"	497.105388	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Na+HCOOH"	68.994688
"166965"	933.14044	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+2K-H"	76.91904
"610900"	1361.25114	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+2K-H"	76.91904
"1088854"	505.02974	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2K-H"	76.91904
"144939"	467.073858	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"2M+2K"	77.926316
"587414"	681.129208	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"3M+2K"	77.926316
"1073023"	253.018508	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2K"	77.926316
"1102955"	507.044292	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2K+H"	78.933592
"1344808"	507.131907	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+DMSO+H"	79.021207
"1012245"	511.171076	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2ACN+H"	83.060376
"1530371"	512.164708	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+IsoProp+Na+H"	84.054008
"996818"	256.089176	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+2ACN+2H"	84.067652
"1594602"	513.079328	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+K+HCOOH"	84.968628
"1422450"	543.110838	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+H+CF3COOH"	115.000138
"1156017"	276.602451	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+3ACN+2H"	125.094202
"1697347"	560.137385	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+NH4+CF3COOH"	132.026685
"1641223"	565.09278	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+Na+CF3COOH"	136.98208
"1575780"	581.06672	"C12425"	"epsilon-Rhodomycinone;Rhodomycinone"	"C22H20O9"	"428.1107"	"M+K+CF3COOH"	152.95602
"803961"	557.1897	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M"	0
"976400"	538.17131	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-H2O-H"	-19.01839
"70109"	370.452524	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M-3H"	-3.021828
"507483"	556.182424	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M-3H"	-3.021828
"886377"	184.722624	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-3H"	-3.021828
"8232"	556.182424	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M-2H"	-2.014552
"446698"	834.777274	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M-2H"	-2.014552
"819034"	277.587574	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-2H"	-2.014552
"89960"	1113.372124	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M-H"	-1.007276
"526242"	1670.561824	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M-H"	-1.007276
"907324"	556.182424	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-H"	-1.007276
"56227"	1130.398671	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M-2H+NH4"	16.019271
"492511"	1687.588371	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M-2H+NH4"	16.019271
"872500"	573.208971	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-2H+NH4"	16.019271
"38576"	1135.354066	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M-2H+Na"	20.974666
"475596"	1692.543766	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M-2H+Na"	20.974666
"853397"	578.164366	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-2H+Na"	20.974666
"1621836"	578.164366	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Na-2H"	20.974666
"96180"	574.170763	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M-H+Cl"	33.962126
"536833"	852.765613	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M-H+Cl"	33.962126
"930345"	295.575913	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-H+Cl"	33.962126
"267937"	1149.348802	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+Cl"	34.969402
"661819"	1706.538502	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+Cl"	34.969402
"1273122"	592.159102	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Cl"	34.969402
"16536"	1151.328006	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M-2H+K"	36.948606
"456090"	1708.517706	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M-2H+K"	36.948606
"835844"	594.138306	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-2H+K"	36.948606
"1558237"	594.138306	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+K-2H"	36.948606
"943078"	602.187894	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-H+HCOOH"	44.998194
"362510"	1159.377601	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+HCOOH-H"	44.998201
"346395"	1173.393251	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+Hac-H"	59.013851
"1493525"	616.203551	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Hac-H"	59.013851
"963137"	624.169851	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-H+NaCOOH"	66.980151
"114594"	592.159102	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+2Cl"	69.938804
"552697"	870.753952	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+2Cl"	69.938804
"1025872"	313.564252	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2Cl"	69.938804
"1242533"	636.108585	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Br"	78.918885
"1307168"	638.164572	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Cl+HCOOH"	80.974872
"1323569"	660.146529	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Cl+NaCOOH"	102.956829
"913533"	670.175286	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M-H+CF3COOH"	112.985586
"1288485"	706.151964	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Cl+CF3COOH"	148.962264
"1372059"	522.177024	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H-2H2O"	-35.012676
"1395027"	540.187	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H-H2O"	-17.0027
"293258"	1115.386676	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+H"	1.007276
"687501"	1672.576376	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+H"	1.007276
"1366282"	558.196976	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H"	1.007276
"136011"	558.196976	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+2H"	2.014552
"567919"	836.791826	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+2H"	2.014552
"1041092"	279.602126	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2H"	2.014552
"211181"	372.467076	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+3H"	3.021828
"654022"	558.196976	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+3H"	3.021828
"1172148"	186.737176	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+3H"	3.021828
"429952"	1132.413223	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+NH4"	18.033823
"790946"	1689.602923	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+NH4"	18.033823
"1688377"	575.223523	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+NH4"	18.033823
"337747"	566.7102495	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+H+NH4"	19.041099
"737466"	845.3050995	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+H+NH4"	19.041099
"1490921"	288.1153995	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H+NH4"	19.041099
"406686"	1137.368618	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+Na"	22.989218
"766954"	1694.558318	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+Na"	22.989218
"1616512"	580.178918	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Na"	22.989218
"328370"	569.187947	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+H+Na"	23.996494
"722006"	847.782797	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+H+Na"	23.996494
"1476681"	290.593097	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H+Na"	23.996494
"1067860"	194.06449	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2H+Na"	25.00377
"1269532"	590.223186	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+CH3OH+H"	33.033486
"388106"	1153.342558	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+K"	38.963158
"750194"	1710.532258	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+K"	38.963158
"1548968"	596.152858	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+K"	38.963158
"301767"	577.174917	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+H+K"	39.970434
"696377"	855.769767	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+H+K"	39.970434
"1453475"	298.580067	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H+K"	39.970434
"244262"	1156.413226	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+ACN+H"	42.033826
"1215877"	599.223526	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+ACN+H"	42.033826
"1200851"	300.115401	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+ACN+2H"	43.041102
"192264"	1159.35056	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+2Na-H"	44.97116
"635469"	1716.54026	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+2Na-H"	44.97116
"1137881"	602.16086	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2Na-H"	44.97116
"175584"	580.178918	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+2Na"	45.978436
"614295"	858.773768	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+2Na"	45.978436
"1117682"	301.584068	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2Na"	45.978436
"1406680"	201.391804	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H+2Na"	46.985712
"1437699"	604.202446	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H+HCOOH"	47.012746
"226303"	585.21194	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+3H2O+2H"	56.04448
"1512543"	618.25449	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+IsoProp+H"	61.06479
"414051"	588.165888	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+Na+K"	61.952376
"776140"	866.760738	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+Na+K"	61.952376
"1667367"	309.571038	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Na+K"	61.952376
"254253"	1178.395168	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+ACN+Na"	64.015768
"1227692"	621.205468	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+ACN+Na"	64.015768
"1723872"	621.228993	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+NH4+HCOOH"	64.039293
"1183756"	208.719118	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+3Na"	68.967654
"1659118"	626.184388	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Na+HCOOH"	68.994688
"167074"	1191.29844	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+2K-H"	76.91904
"603356"	1748.48814	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+2K-H"	76.91904
"1088234"	634.10874	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2K-H"	76.91904
"144318"	596.152858	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"2M+2K"	77.926316
"586430"	874.747708	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"3M+2K"	77.926316
"1074226"	317.558008	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2K"	77.926316
"1101849"	636.123292	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2K+H"	78.933592
"1339452"	636.210907	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+DMSO+H"	79.021207
"1007982"	640.250076	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2ACN+H"	83.060376
"1529387"	641.243708	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+IsoProp+Na+H"	84.054008
"995834"	320.628676	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+2ACN+2H"	84.067652
"1592525"	642.158328	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+K+HCOOH"	84.968628
"1421467"	672.189838	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+H+CF3COOH"	115.000138
"1156127"	341.141951	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+3ACN+2H"	125.094202
"1697416"	689.216385	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+NH4+CF3COOH"	132.026685
"1641333"	694.17178	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+Na+CF3COOH"	136.98208
"1573704"	710.14572	"C12426"	"Rhodomycin D"	"C28H31NO11"	"557.1897"	"M+K+CF3COOH"	152.95602
"801596"	543.1741	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M"	0
"976510"	524.15571	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-H2O-H"	-19.01839
"71312"	361.108790666667	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M-3H"	-3.021828
"511966"	542.166824	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M-3H"	-3.021828
"887581"	180.050757333333	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-3H"	-3.021828
"2876"	542.166824	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M-2H"	-2.014552
"446809"	813.753874	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M-2H"	-2.014552
"824613"	270.579774	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-2H"	-2.014552
"87885"	1085.340924	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M-H"	-1.007276
"529635"	1628.515024	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M-H"	-1.007276
"909623"	542.166824	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-H"	-1.007276
"57432"	1102.367471	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M-2H+NH4"	16.019271
"491527"	1645.541571	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M-2H+NH4"	16.019271
"872609"	559.193371	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-2H+NH4"	16.019271
"38324"	1107.322866	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M-2H+Na"	20.974666
"475706"	1650.496966	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M-2H+Na"	20.974666
"853507"	564.148766	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-2H+Na"	20.974666
"1620123"	564.148766	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Na-2H"	20.974666
"95197"	560.155163	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M-H+Cl"	33.962126
"534472"	831.742213	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M-H+Cl"	33.962126
"928269"	288.568113	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-H+Cl"	33.962126
"271206"	1121.317602	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+Cl"	34.969402
"662050"	1664.491702	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+Cl"	34.969402
"1272986"	578.143502	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Cl"	34.969402
"16361"	1123.296806	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M-2H+K"	36.948606
"456197"	1666.470906	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M-2H+K"	36.948606
"835225"	580.122706	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-2H+K"	36.948606
"1558348"	580.122706	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+K-2H"	36.948606
"943350"	588.172294	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-H+HCOOH"	44.998194
"364081"	1131.346401	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+HCOOH-H"	44.998201
"349788"	1145.362051	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+Hac-H"	59.013851
"1495338"	602.187951	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Hac-H"	59.013851
"962884"	610.154251	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-H+NaCOOH"	66.980151
"113611"	578.143502	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+2Cl"	69.938804
"551350"	849.730552	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+2Cl"	69.938804
"1026711"	306.556452	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2Cl"	69.938804
"1245195"	622.092985	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Br"	78.918885
"1308009"	624.148972	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Cl+HCOOH"	80.974872
"1322587"	646.130929	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Cl+NaCOOH"	102.956829
"916197"	656.159686	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M-H+CF3COOH"	112.985586
"1291820"	692.136364	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Cl+CF3COOH"	148.962264
"1373994"	508.161424	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H-2H2O"	-35.012676
"1392950"	526.1714	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H-H2O"	-17.0027
"294461"	1087.355476	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+H"	1.007276
"684695"	1630.529576	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+H"	1.007276
"1362868"	544.181376	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H"	1.007276
"136121"	544.181376	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+2H"	2.014552
"568027"	815.768426	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+2H"	2.014552
"1040107"	272.594326	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2H"	2.014552
"210197"	363.123342666667	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+3H"	3.021828
"653039"	544.181376	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+3H"	3.021828
"1171164"	182.065309333333	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+3H"	3.021828
"430060"	1104.382023	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+NH4"	18.033823
"791055"	1647.556123	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+NH4"	18.033823
"1689576"	561.207923	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+NH4"	18.033823
"334576"	552.6946495	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+H+NH4"	19.041099
"735753"	824.2816995	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+H+NH4"	19.041099
"1488477"	281.1075995	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H+NH4"	19.041099
"406432"	1109.337418	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+Na"	22.989218
"768158"	1652.511518	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+Na"	22.989218
"1615890"	566.163318	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Na"	22.989218
"329573"	555.172347	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+H+Na"	23.996494
"722357"	826.759397	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+H+Na"	23.996494
"1476750"	283.585297	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H+Na"	23.996494
"1067604"	189.392623333333	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2H+Na"	25.00377
"1267455"	576.207586	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+CH3OH+H"	33.033486
"388216"	1125.311358	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+K"	38.963158
"750304"	1668.485458	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+K"	38.963158
"1550172"	582.137258	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+K"	38.963158
"302970"	563.159317	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+H+K"	39.970434
"694300"	834.746367	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+H+K"	39.970434
"1449211"	291.572267	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H+K"	39.970434
"243278"	1128.382026	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+ACN+H"	42.033826
"1215986"	585.207926	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+ACN+H"	42.033826
"1199870"	293.107601	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+ACN+2H"	43.041102
"193103"	1131.31936	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+2Na-H"	44.97116
"635579"	1674.49346	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+2Na-H"	44.97116
"1136533"	588.14526	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2Na-H"	44.97116
"176181"	566.163318	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+2Na"	45.978436
"615014"	837.750368	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+2Na"	45.978436
"1118882"	294.576268	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2Na"	45.978436
"1407519"	196.719937333333	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H+2Na"	46.985712
"1432344"	590.186846	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H+HCOOH"	47.012746
"225320"	571.19634	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+3H2O+2H"	56.04448
"1514476"	604.23889	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+IsoProp+H"	61.06479
"411974"	574.150288	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+Na+K"	61.952376
"772969"	845.737338	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+Na+K"	61.952376
"1670395"	302.563238	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Na+K"	61.952376
"254729"	1150.363968	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+ACN+Na"	64.015768
"1230716"	607.189868	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+ACN+Na"	64.015768
"1718512"	607.213393	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+NH4+HCOOH"	64.039293
"1183137"	204.047251333333	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+3Na"	68.967654
"1657042"	612.168788	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Na+HCOOH"	68.994688
"163904"	1163.26724	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+2K-H"	76.91904
"603465"	1706.44134	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+2K-H"	76.91904
"1087980"	620.09314	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2K-H"	76.91904
"144793"	582.137258	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"2M+2K"	77.926316
"585447"	853.724308	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"3M+2K"	77.926316
"1072150"	310.550208	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2K"	77.926316
"1101717"	622.107692	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2K+H"	78.933592
"1339562"	622.195307	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+DMSO+H"	79.021207
"1009185"	626.234476	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2ACN+H"	83.060376
"1529497"	627.228108	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+IsoProp+Na+H"	84.054008
"997038"	313.620876	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+2ACN+2H"	84.067652
"1598102"	628.142728	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+K+HCOOH"	84.968628
"1424857"	658.174238	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+H+CF3COOH"	115.000138
"1156237"	334.134151	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+3ACN+2H"	125.094202
"1698136"	675.200785	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+NH4+CF3COOH"	132.026685
"1638163"	680.15618	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+Na+CF3COOH"	136.98208
"1576000"	696.13012	"C12427"	"10-Carboxy-13-deoxycarminomycin;D 788-1"	"C27H29NO11"	"543.1741"	"M+K+CF3COOH"	152.95602
"801910"	499.1842	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M"	0
"978808"	480.16581	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-H2O-H"	-19.01839
"69237"	331.782190666667	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M-3H"	-3.021828
"512078"	498.176924	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M-3H"	-3.021828
"889878"	165.387457333333	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-3H"	-3.021828
"2986"	498.176924	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M-2H"	-2.014552
"445827"	747.769024	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M-2H"	-2.014552
"824723"	248.584824	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-2H"	-2.014552
"85809"	997.361124	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M-H"	-1.007276
"527557"	1496.545324	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M-H"	-1.007276
"907546"	498.176924	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-H"	-1.007276
"56449"	1014.387671	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M-2H+NH4"	16.019271
"490543"	1513.571871	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M-2H+NH4"	16.019271
"866524"	515.203471	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-2H+NH4"	16.019271
"37341"	1019.343066	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M-2H+Na"	20.974666
"474724"	1518.527266	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M-2H+Na"	20.974666
"851431"	520.158866	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-2H+Na"	20.974666
"1619871"	520.158866	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Na-2H"	20.974666
"94368"	516.165263	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M-H+Cl"	33.962126
"534542"	765.757363	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M-H+Cl"	33.962126
"929473"	266.573163	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-H+Cl"	33.962126
"271316"	1033.337802	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+Cl"	34.969402
"660459"	1532.522002	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+Cl"	34.969402
"1274687"	534.153602	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Cl"	34.969402
"17244"	1035.317006	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M-2H+K"	36.948606
"458263"	1534.501206	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M-2H+K"	36.948606
"837158"	536.132806	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-2H+K"	36.948606
"1555614"	536.132806	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+K-2H"	36.948606
"944154"	544.182394	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-H+HCOOH"	44.998194
"363099"	1043.366601	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+HCOOH-H"	44.998201
"346983"	1057.382251	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+Hac-H"	59.013851
"1494717"	558.198051	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Hac-H"	59.013851
"964817"	566.164351	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-H+NaCOOH"	66.980151
"111899"	534.153602	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+2Cl"	69.938804
"555471"	783.745702	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+2Cl"	69.938804
"1024635"	284.561502	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2Cl"	69.938804
"1245307"	578.103085	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Br"	78.918885
"1306662"	580.159072	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Cl+HCOOH"	80.974872
"1324885"	602.141029	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Cl+NaCOOH"	102.956829
"913393"	612.169786	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M-H+CF3COOH"	112.985586
"1290473"	648.146464	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Cl+CF3COOH"	148.962264
"1371186"	464.171524	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H-2H2O"	-35.012676
"1387226"	482.1815	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H-H2O"	-17.0027
"294571"	999.375676	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+H"	1.007276
"684441"	1498.559876	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+H"	1.007276
"1363706"	500.191476	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H"	1.007276
"132951"	500.191476	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+2H"	2.014552
"568137"	749.783576	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+2H"	2.014552
"1039124"	250.599376	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2H"	2.014552
"212493"	333.796742666667	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+3H"	3.021828
"653149"	500.191476	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+3H"	3.021828
"1173460"	167.402009333333	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+3H"	3.021828
"430170"	1016.402223	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+NH4"	18.033823
"791165"	1515.586423	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+NH4"	18.033823
"1687499"	517.218023	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+NH4"	18.033823
"334686"	508.7047495	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+H+NH4"	19.041099
"735498"	758.2968495	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+H+NH4"	19.041099
"1488587"	259.1126495	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H+NH4"	19.041099
"405449"	1021.357618	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+Na"	22.989218
"767902"	1520.541818	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+Na"	22.989218
"1614177"	522.173418	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Na"	22.989218
"328590"	511.182447	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+H+Na"	23.996494
"720644"	760.774547	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+H+Na"	23.996494
"1475195"	261.590347	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H+Na"	23.996494
"1067713"	174.729323333333	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2H+Na"	25.00377
"1267565"	532.217686	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+CH3OH+H"	33.033486
"385046"	1037.331558	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+K"	38.963158
"744948"	1536.515758	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+K"	38.963158
"1547000"	538.147358	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+K"	38.963158
"300529"	519.169417	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+H+K"	39.970434
"694410"	768.761517	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+H+K"	39.970434
"1448592"	269.577317	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H+K"	39.970434
"241201"	1040.402226	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+ACN+H"	42.033826
"1213909"	541.218026	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+ACN+H"	42.033826
"1202166"	271.112651	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+ACN+2H"	43.041102
"195036"	1043.33956	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+2Na-H"	44.97116
"634597"	1542.52376	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+2Na-H"	44.97116
"1137009"	544.15536	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2Na-H"	44.97116
"178112"	522.173418	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+2Na"	45.978436
"616582"	771.765518	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+2Na"	45.978436
"1116684"	272.581318	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2Na"	45.978436
"1398544"	182.056637333333	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H+2Na"	46.985712
"1431475"	546.196946	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H+HCOOH"	47.012746
"225430"	527.20644	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+3H2O+2H"	56.04448
"1508913"	560.24899	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+IsoProp+H"	61.06479
"410991"	530.160388	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+Na+K"	61.952376
"773079"	779.752488	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+Na+K"	61.952376
"1668318"	280.568288	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Na+K"	61.952376
"253745"	1062.384168	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+ACN+Na"	64.015768
"1228641"	563.199968	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+ACN+Na"	64.015768
"1717529"	563.223493	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+NH4+HCOOH"	64.039293
"1185069"	189.383951333333	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+3Na"	68.967654
"1656059"	568.178888	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Na+HCOOH"	68.994688
"161098"	1075.28744	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+2K-H"	76.91904
"601389"	1574.47164	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+2K-H"	76.91904
"1087361"	576.10324	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2K-H"	76.91904
"143810"	538.147358	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"2M+2K"	77.926316
"585557"	787.739458	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"3M+2K"	77.926316
"1072260"	288.555258	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2K"	77.926316
"1103287"	578.117792	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2K+H"	78.933592
"1336147"	578.205407	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+DMSO+H"	79.021207
"1007835"	582.244576	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2ACN+H"	83.060376
"1529607"	583.238208	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+IsoProp+Na+H"	84.054008
"997148"	291.625926	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+2ACN+2H"	84.067652
"1598212"	584.152828	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+K+HCOOH"	84.968628
"1423874"	614.184338	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+H+CF3COOH"	115.000138
"1156347"	312.139201	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+3ACN+2H"	125.094202
"1697395"	631.210885	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+NH4+CF3COOH"	132.026685
"1641553"	636.16628	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+Na+CF3COOH"	136.98208
"1576110"	652.14022	"C12428"	"13-Deoxycarminomycin"	"C26H29NO9"	"499.1842"	"M+K+CF3COOH"	152.95602
"806478"	513.1999	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M"	0
"980010"	494.18151	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-H2O-H"	-19.01839
"74814"	341.125990666667	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M-3H"	-3.021828
"512188"	512.192624	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M-3H"	-3.021828
"889988"	170.059357333333	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-3H"	-3.021828
"2003"	512.192624	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M-2H"	-2.014552
"445935"	768.792574	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M-2H"	-2.014552
"822646"	255.592674	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-2H"	-2.014552
"84823"	1025.392524	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M-H"	-1.007276
"530947"	1538.592424	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M-H"	-1.007276
"906562"	512.192624	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-H"	-1.007276
"58746"	1042.419071	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M-2H+NH4"	16.019271
"491017"	1555.618971	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M-2H+NH4"	16.019271
"870641"	529.219171	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-2H+NH4"	16.019271
"37451"	1047.374466	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M-2H+Na"	20.974666
"480302"	1560.574366	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M-2H+Na"	20.974666
"854821"	534.174566	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-2H+Na"	20.974666
"1627635"	534.174566	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Na-2H"	20.974666
"95781"	530.180963	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M-H+Cl"	33.962126
"535341"	786.780913	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M-H+Cl"	33.962126
"931770"	273.581013	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-H+Cl"	33.962126
"271426"	1061.369202	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+Cl"	34.969402
"663123"	1574.569102	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+Cl"	34.969402
"1274797"	548.169302	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Cl"	34.969402
"15742"	1063.348406	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M-2H+K"	36.948606
"455824"	1576.548306	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M-2H+K"	36.948606
"833295"	550.148506	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-2H+K"	36.948606
"1558569"	550.148506	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+K-2H"	36.948606
"944261"	558.198094	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-H+HCOOH"	44.998194
"366855"	1071.398001	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+HCOOH-H"	44.998201
"348186"	1085.413651	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+Hac-H"	59.013851
"1494828"	572.213751	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Hac-H"	59.013851
"963468"	580.180051	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-H+NaCOOH"	66.980151
"112007"	548.169302	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+2Cl"	69.938804
"555945"	804.769252	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+2Cl"	69.938804
"1028025"	291.569352	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2Cl"	69.938804
"1248333"	592.118785	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Br"	78.918885
"1307136"	594.174772	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Cl+HCOOH"	80.974872
"1323171"	616.156729	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Cl+NaCOOH"	102.956829
"914961"	626.185486	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M-H+CF3COOH"	112.985586
"1288759"	662.162164	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Cl+CF3COOH"	148.962264
"1369838"	478.187224	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H-2H2O"	-35.012676
"1387336"	496.1972	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H-H2O"	-17.0027
"294681"	1027.407076	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+H"	1.007276
"684915"	1540.606976	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+H"	1.007276
"1363451"	514.207176	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H"	1.007276
"133061"	514.207176	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+2H"	2.014552
"567396"	770.807126	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+2H"	2.014552
"1038746"	257.607226	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2H"	2.014552
"208228"	343.140542666667	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+3H"	3.021828
"652163"	514.207176	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+3H"	3.021828
"1168102"	172.073909333333	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+3H"	3.021828
"427000"	1044.433623	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+NH4"	18.033823
"791275"	1557.633523	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+NH4"	18.033823
"1689795"	531.233723	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+NH4"	18.033823
"334067"	522.7204495	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+H+NH4"	19.041099
"734515"	779.3203995	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+H+NH4"	19.041099
"1489790"	266.1204995	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H+NH4"	19.041099
"405559"	1049.389018	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+Na"	22.989218
"766553"	1562.588918	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+Na"	22.989218
"1615377"	536.189118	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Na"	22.989218
"328579"	525.198147	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+H+Na"	23.996494
"721241"	781.798097	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+H+Na"	23.996494
"1471659"	268.598197	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H+Na"	23.996494
"1067341"	179.401223333333	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2H+Na"	25.00377
"1266581"	546.233386	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+CH3OH+H"	33.033486
"386248"	1065.362958	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+K"	38.963158
"745058"	1578.562858	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+K"	38.963158
"1544923"	552.163058	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+K"	38.963158
"300275"	533.185117	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+H+K"	39.970434
"696707"	789.785067	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+H+K"	39.970434
"1448702"	276.585167	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H+K"	39.970434
"238033"	1068.433626	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+ACN+H"	42.033826
"1214021"	555.233726	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+ACN+H"	42.033826
"1200089"	278.120501	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+ACN+2H"	43.041102
"195146"	1071.37096	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+2Na-H"	44.97116
"634708"	1584.57086	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+2Na-H"	44.97116
"1137119"	558.17106	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2Na-H"	44.97116
"177129"	536.189118	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+2Na"	45.978436
"616691"	792.789068	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+2Na"	45.978436
"1116065"	279.589168	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2Na"	45.978436
"1398981"	186.728537333333	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H+2Na"	46.985712
"1430490"	560.212646	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H+HCOOH"	47.012746
"223353"	541.22214	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+3H2O+2H"	56.04448
"1509350"	574.26469	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+IsoProp+H"	61.06479
"409035"	544.176088	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+Na+K"	61.952376
"773189"	800.776038	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+Na+K"	61.952376
"1668428"	287.576138	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Na+K"	61.952376
"253856"	1090.415568	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+ACN+Na"	64.015768
"1228751"	577.215668	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+ACN+Na"	64.015768
"1714724"	577.239193	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+NH4+HCOOH"	64.039293
"1181172"	194.055851333333	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+3Na"	68.967654
"1659449"	582.194588	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Na+HCOOH"	68.994688
"164124"	1103.31884	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+2K-H"	76.91904
"603686"	1616.51874	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+2K-H"	76.91904
"1088200"	590.11894	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2K-H"	76.91904
"143920"	552.163058	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"2M+2K"	77.926316
"583478"	808.763008	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"3M+2K"	77.926316
"1072370"	295.563108	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2K"	77.926316
"1103396"	592.133492	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2K+H"	78.933592
"1340873"	592.221107	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+DMSO+H"	79.021207
"1008309"	596.260276	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2ACN+H"	83.060376
"1534089"	597.253908	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+IsoProp+Na+H"	84.054008
"991424"	298.633776	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+2ACN+2H"	84.067652
"1595041"	598.168528	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+K+HCOOH"	84.968628
"1422889"	628.200038	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+H+CF3COOH"	115.000138
"1153176"	319.147051	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+3ACN+2H"	125.094202
"1697505"	645.226585	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+NH4+CF3COOH"	132.026685
"1641663"	650.18198	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+Na+CF3COOH"	136.98208
"1576220"	666.15592	"C12429"	"13-Deoxydaunorubicin;Feudomycin A"	"C27H31NO9"	"513.1999"	"M+K+CF3COOH"	152.95602
"802213"	529.1948	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M"	0
"977933"	510.17641	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H2O-H"	-19.01839
"71644"	351.789257333333	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-3H"	-3.021828
"511204"	528.187524	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-3H"	-3.021828
"891192"	175.390990666667	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-3H"	-3.021828
"2113"	528.187524	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H"	-2.014552
"448233"	792.784924	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H"	-2.014552
"822756"	263.590124	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H"	-2.014552
"88213"	1057.382324	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-H"	-1.007276
"529962"	1586.577124	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-H"	-1.007276
"905579"	528.187524	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H"	-1.007276
"59950"	1074.408871	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H+NH4"	16.019271
"491857"	1603.603671	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H+NH4"	16.019271
"870751"	545.214071	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H+NH4"	16.019271
"40841"	1079.364266	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H+Na"	20.974666
"482598"	1608.559066	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H+Na"	20.974666
"853838"	550.169466	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H+Na"	20.974666
"1627745"	550.169466	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na-2H"	20.974666
"96621"	546.175863	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-H+Cl"	33.962126
"536544"	810.773263	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-H+Cl"	33.962126
"930788"	281.578463	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+Cl"	33.962126
"268619"	1093.359002	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Cl"	34.969402
"667242"	1622.553802	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+Cl"	34.969402
"1279646"	564.164202	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl"	34.969402
"19287"	1095.338206	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H+K"	36.948606
"456245"	1624.533006	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H+K"	36.948606
"834096"	566.143406	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H+K"	36.948606
"1559775"	566.143406	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K-2H"	36.948606
"945468"	574.192994	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+HCOOH"	44.998194
"366966"	1103.387801	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+HCOOH-H"	44.998201
"352307"	1117.403451	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Hac-H"	59.013851
"1494212"	588.208651	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Hac-H"	59.013851
"962485"	596.174951	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+NaCOOH"	66.980151
"110902"	564.164202	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2Cl"	69.938804
"555691"	828.761602	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2Cl"	69.938804
"1027771"	299.566802	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2Cl"	69.938804
"1245527"	608.113685	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Br"	78.918885
"1311986"	610.169672	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl+HCOOH"	80.974872
"1324014"	632.151629	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl+NaCOOH"	102.956829
"914345"	642.180386	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+CF3COOH"	112.985586
"1289233"	678.157064	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl+CF3COOH"	148.962264
"1369948"	494.182124	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H-2H2O"	-35.012676
"1388174"	512.1921	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H-H2O"	-17.0027
"297710"	1059.396876	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H"	1.007276
"688306"	1588.591676	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H"	1.007276
"1360282"	530.202076	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H"	1.007276
"129891"	530.202076	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2H"	2.014552
"567264"	794.799476	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2H"	2.014552
"1038492"	265.604676	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2H"	2.014552
"208338"	353.803809333333	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+3H"	3.021828
"651180"	530.202076	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+3H"	3.021828
"1168212"	177.405542666667	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+3H"	3.021828
"428203"	1076.423423	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+NH4"	18.033823
"790292"	1605.618223	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+NH4"	18.033823
"1688812"	547.228623	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+NH4"	18.033823
"335999"	538.7153495	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H+NH4"	19.041099
"732799"	803.3127495	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H+NH4"	19.041099
"1488807"	274.1179495	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+NH4"	19.041099
"406033"	1081.378818	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Na"	22.989218
"767390"	1610.573618	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+Na"	22.989218
"1615487"	552.184018	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na"	22.989218
"329421"	541.193047	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H+Na"	23.996494
"720986"	805.790447	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H+Na"	23.996494
"1473954"	276.595647	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+Na"	23.996494
"1067938"	184.732856666667	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2H+Na"	25.00377
"1265598"	562.228286	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+CH3OH+H"	33.033486
"386358"	1097.352758	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+K"	38.963158
"747354"	1626.547558	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+K"	38.963158
"1550501"	568.157958	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K"	38.963158
"300385"	549.180017	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H+K"	39.970434
"696817"	813.777417	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H+K"	39.970434
"1447719"	284.582617	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+K"	39.970434
"241423"	1100.423426	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+ACN+H"	42.033826
"1214131"	571.228626	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+ACN+H"	42.033826
"1201293"	286.117951	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+ACN+2H"	43.041102
"195257"	1103.36076	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2Na-H"	44.97116
"638097"	1632.55556	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2Na-H"	44.97116
"1135769"	574.16596	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2Na-H"	44.97116
"175416"	552.184018	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2Na"	45.978436
"615342"	816.781418	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2Na"	45.978436
"1116295"	287.586618	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2Na"	45.978436
"1399701"	192.060170666667	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+2Na"	46.985712
"1432669"	576.207546	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+HCOOH"	47.012746
"223460"	557.21704	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+3H2O+2H"	56.04448
"1513714"	590.25959	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+IsoProp+H"	61.06479
"409265"	560.170988	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Na+K"	61.952376
"776582"	824.768388	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+Na+K"	61.952376
"1668538"	295.573588	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na+K"	61.952376
"253235"	1122.405368	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+ACN+Na"	64.015768
"1227768"	593.210568	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+ACN+Na"	64.015768
"1715563"	593.234093	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+NH4+HCOOH"	64.039293
"1180918"	199.387484666667	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+3Na"	68.967654
"1651175"	598.189488	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na+HCOOH"	68.994688
"162047"	1135.30864	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2K-H"	76.91904
"605982"	1664.50344	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2K-H"	76.91904
"1093774"	606.11384	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2K-H"	76.91904
"143300"	568.157958	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2K"	77.926316
"585776"	832.755358	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2K"	77.926316
"1073570"	303.560558	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2K"	77.926316
"1102047"	608.128392	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2K+H"	78.933592
"1340983"	608.216007	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+DMSO+H"	79.021207
"1006960"	612.255176	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2ACN+H"	83.060376
"1528002"	613.248808	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+IsoProp+Na+H"	84.054008
"990439"	306.631226	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2ACN+2H"	84.067652
"1591870"	614.163428	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K+HCOOH"	84.968628
"1422998"	644.194938	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+CF3COOH"	115.000138
"1153286"	327.144501	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+3ACN+2H"	125.094202
"1697373"	661.221485	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+NH4+CF3COOH"	132.026685
"1643960"	666.17688	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na+CF3COOH"	136.98208
"1576330"	682.15082	"C12430"	"13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K+CF3COOH"	152.95602
"813264"	515.1791	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M"	0
"986794"	496.16071	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-H2O-H"	-19.01839
"72849"	342.445457333333	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M-3H"	-3.021828
"511315"	514.171824	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M-3H"	-3.021828
"889115"	170.719090666667	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-3H"	-3.021828
"10971"	514.171824	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M-2H"	-2.014552
"445062"	771.761374	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M-2H"	-2.014552
"825051"	256.582274	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-2H"	-2.014552
"88323"	1029.350924	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M-H"	-1.007276
"525697"	1544.530024	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M-H"	-1.007276
"905686"	514.171824	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-H"	-1.007276
"52405"	1046.377471	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M-2H+NH4"	16.019271
"493067"	1561.556571	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M-2H+NH4"	16.019271
"870136"	531.198371	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-2H+NH4"	16.019271
"33426"	1051.332866	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M-2H+Na"	20.974666
"480521"	1566.511966	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M-2H+Na"	20.974666
"851763"	536.153766	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-2H+Na"	20.974666
"1622388"	536.153766	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Na-2H"	20.974666
"98920"	532.160163	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M-H+Cl"	33.962126
"539573"	789.749713	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M-H+Cl"	33.962126
"928467"	274.570613	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-H+Cl"	33.962126
"269457"	1065.327602	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+Cl"	34.969402
"661267"	1580.506702	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+Cl"	34.969402
"1276473"	550.148502	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Cl"	34.969402
"17692"	1067.306806	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M-2H+K"	36.948606
"457861"	1582.485906	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M-2H+K"	36.948606
"834933"	552.127706	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-2H+K"	36.948606
"1556965"	552.127706	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+K-2H"	36.948606
"946670"	560.177294	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-H+HCOOH"	44.998194
"370355"	1075.356401	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+HCOOH-H"	44.998201
"349132"	1089.372051	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+Hac-H"	59.013851
"1497238"	574.192951	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Hac-H"	59.013851
"965147"	582.159251	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-H+NaCOOH"	66.980151
"112227"	550.148502	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+2Cl"	69.938804
"553609"	807.738052	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+2Cl"	69.938804
"1025690"	292.558952	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2Cl"	69.938804
"1246729"	594.097985	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Br"	78.918885
"1315377"	596.153972	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Cl+HCOOH"	80.974872
"1325218"	618.135929	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Cl+NaCOOH"	102.956829
"917371"	628.164686	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M-H+CF3COOH"	112.985586
"1289343"	664.141364	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Cl+CF3COOH"	148.962264
"1369693"	480.166424	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H-2H2O"	-35.012676
"1387556"	498.1764	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H-H2O"	-17.0027
"297455"	1031.365476	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+H"	1.007276
"688053"	1546.544576	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+H"	1.007276
"1361486"	516.186376	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H"	1.007276
"130001"	516.186376	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+2H"	2.014552
"571749"	773.775926	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+2H"	2.014552
"1040547"	258.596826	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2H"	2.014552
"206261"	344.460009333333	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+3H"	3.021828
"650198"	516.186376	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+3H"	3.021828
"1170512"	172.733642666667	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+3H"	3.021828
"427221"	1048.392023	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+NH4"	18.033823
"790402"	1563.571123	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+NH4"	18.033823
"1684549"	533.212923	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+NH4"	18.033823
"335016"	524.6996495	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+H+NH4"	19.041099
"725613"	782.2891995	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+H+NH4"	19.041099
"1482713"	267.1100995	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H+NH4"	19.041099
"397748"	1053.347418	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+Na"	22.989218
"755833"	1568.526518	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+Na"	22.989218
"1606846"	538.168318	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Na"	22.989218
"318334"	527.177347	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+H+Na"	23.996494
"722070"	784.766897	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+H+Na"	23.996494
"1472971"	269.587797	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H+Na"	23.996494
"1065124"	180.060956666667	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2H+Na"	25.00377
"1271176"	548.212586	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+CH3OH+H"	33.033486
"385377"	1069.321358	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+K"	38.963158
"750746"	1584.500458	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+K"	38.963158
"1547331"	554.142258	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+K"	38.963158
"306692"	535.164317	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+H+K"	39.970434
"700207"	792.753867	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+H+K"	39.970434
"1448558"	277.574767	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H+K"	39.970434
"241534"	1072.392026	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+ACN+H"	42.033826
"1216427"	557.212926	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+ACN+H"	42.033826
"1201404"	279.110101	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+ACN+2H"	43.041102
"194275"	1075.32936	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+2Na-H"	44.97116
"634927"	1590.50846	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+2Na-H"	44.97116
"1135516"	560.15026	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2Na-H"	44.97116
"176256"	538.168318	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+2Na"	45.978436
"615817"	795.757868	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+2Na"	45.978436
"1116651"	280.578768	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2Na"	45.978436
"1400783"	187.388270666667	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H+2Na"	46.985712
"1432779"	562.191846	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H+HCOOH"	47.012746
"226853"	543.20134	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+3H2O+2H"	56.04448
"1514917"	576.24389	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+IsoProp+H"	61.06479
"413510"	546.155288	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+Na+K"	61.952376
"776693"	803.744838	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+Na+K"	61.952376
"1670468"	288.565738	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Na+K"	61.952376
"257353"	1094.373968	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+ACN+Na"	64.015768
"1230064"	579.194868	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+ACN+Na"	64.015768
"1716766"	579.218393	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+NH4+HCOOH"	64.039293
"1181028"	194.715584666667	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+3Na"	68.967654
"1657483"	584.173788	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Na+HCOOH"	68.994688
"163251"	1107.27724	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+2K-H"	76.91904
"602812"	1622.45634	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+2K-H"	76.91904
"1094977"	592.09814	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2K-H"	76.91904
"143409"	554.142258	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"2M+2K"	77.926316
"585157"	811.731808	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"3M+2K"	77.926316
"1071857"	296.552708	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2K"	77.926316
"1105804"	594.112692	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2K+H"	78.933592
"1338907"	594.200307	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+DMSO+H"	79.021207
"1011810"	598.239476	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2ACN+H"	83.060376
"1534309"	599.233108	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+IsoProp+Na+H"	84.054008
"994196"	299.623376	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+2ACN+2H"	84.067652
"1595261"	600.147728	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+K+HCOOH"	84.968628
"1419828"	630.179238	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+H+CF3COOH"	115.000138
"1153396"	320.136651	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+3ACN+2H"	125.094202
"1704044"	647.205785	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+NH4+CF3COOH"	132.026685
"1634464"	652.16118	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+Na+CF3COOH"	136.98208
"1579724"	668.13512	"C12431"	"13-Dihydrocarminomycin"	"C26H29NO10"	"515.1791"	"M+K+CF3COOH"	152.95602
"805714"	513.1635	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M"	0
"979246"	494.14511	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-H2O-H"	-19.01839
"68581"	341.101724	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M-3H"	-3.021828
"509236"	512.156224	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M-3H"	-3.021828
"887038"	170.047224	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-3H"	-3.021828
"11080"	512.156224	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M-2H"	-2.014552
"441893"	768.737974	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M-2H"	-2.014552
"819694"	255.574474	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-2H"	-2.014552
"85153"	1025.319724	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M-H"	-1.007276
"524713"	1538.483224	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M-H"	-1.007276
"901422"	512.156224	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-H"	-1.007276
"54704"	1042.346271	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M-2H+NH4"	16.019271
"492084"	1555.509771	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M-2H+NH4"	16.019271
"868789"	529.182771	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-2H+NH4"	16.019271
"33415"	1047.301666	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M-2H+Na"	20.974666
"477349"	1560.465166	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M-2H+Na"	20.974666
"852967"	534.138166	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-2H+Na"	20.974666
"1619705"	534.138166	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Na-2H"	20.974666
"97936"	530.144563	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M-H+Cl"	33.962126
"537495"	786.726313	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M-H+Cl"	33.962126
"928820"	273.562813	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-H+Cl"	33.962126
"267863"	1061.296402	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+Cl"	34.969402
"661620"	1574.459902	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+Cl"	34.969402
"1277676"	548.132902	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Cl"	34.969402
"23515"	1063.275606	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M-2H+K"	36.948606
"463074"	1576.439106	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M-2H+K"	36.948606
"837596"	550.112106	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-2H+K"	36.948606
"1562182"	550.112106	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+K-2H"	36.948606
"947873"	558.161694	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-H+HCOOH"	44.998194
"370465"	1071.325201	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+HCOOH-H"	44.998201
"349974"	1085.340851	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+Hac-H"	59.013851
"1497349"	572.177351	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Hac-H"	59.013851
"963070"	580.143651	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-H+NaCOOH"	66.980151
"112338"	548.132902	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+2Cl"	69.938804
"553719"	804.714652	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+2Cl"	69.938804
"1024704"	291.551152	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2Cl"	69.938804
"1247933"	592.082385	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Br"	78.918885
"1310019"	594.138372	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Cl+HCOOH"	80.974872
"1325326"	616.120329	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Cl+NaCOOH"	102.956829
"915294"	626.149086	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M-H+CF3COOH"	112.985586
"1290912"	662.125764	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Cl+CF3COOH"	148.962264
"1369803"	478.150824	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H-2H2O"	-35.012676
"1385842"	496.1608	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H-H2O"	-17.0027
"296473"	1027.334276	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+H"	1.007276
"687434"	1540.497776	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+H"	1.007276
"1364513"	514.170776	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H"	1.007276
"134484"	514.170776	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+2H"	2.014552
"574048"	770.752526	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+2H"	2.014552
"1041752"	257.589026	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2H"	2.014552
"205520"	343.116276	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+3H"	3.021828
"649215"	514.170776	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+3H"	3.021828
"1169528"	172.061776	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+3H"	3.021828
"427331"	1044.360823	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+NH4"	18.033823
"789419"	1557.524323	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+NH4"	18.033823
"1684658"	531.197323	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+NH4"	18.033823
"335490"	522.6840495	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+H+NH4"	19.041099
"728638"	779.2657995	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+H+NH4"	19.041099
"1485738"	266.1022995	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H+NH4"	19.041099
"400044"	1049.316218	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+Na"	22.989218
"757765"	1562.479718	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+Na"	22.989218
"1609141"	536.152718	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Na"	22.989218
"318081"	525.161747	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+H+Na"	23.996494
"717079"	781.743497	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+H+Na"	23.996494
"1473081"	268.579997	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H+Na"	23.996494
"1065234"	179.38909	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2H+Na"	25.00377
"1269829"	546.196986	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+CH3OH+H"	33.033486
"385487"	1065.290158	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+K"	38.963158
"750856"	1578.453658	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+K"	38.963158
"1546348"	552.126658	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+K"	38.963158
"305709"	533.148717	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+H+K"	39.970434
"700317"	789.730467	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+H+K"	39.970434
"1448669"	276.566967	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H+K"	39.970434
"242737"	1068.360826	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+ACN+H"	42.033826
"1214351"	555.197326	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+ACN+H"	42.033826
"1199328"	278.102301	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+ACN+2H"	43.041102
"195479"	1071.29816	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+2Na-H"	44.97116
"635037"	1584.46166	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+2Na-H"	44.97116
"1134170"	558.13466	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2Na-H"	44.97116
"174301"	536.152718	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+2Na"	45.978436
"613861"	792.734468	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+2Na"	45.978436
"1116638"	279.570968	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2Na"	45.978436
"1399553"	186.716404	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H+2Na"	46.985712
"1431795"	560.176246	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H+HCOOH"	47.012746
"226965"	541.18574	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+3H2O+2H"	56.04448
"1511747"	574.22829	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+IsoProp+H"	61.06479
"410340"	544.139688	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+Na+K"	61.952376
"776799"	800.721438	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+Na+K"	61.952376
"1670941"	287.557938	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Na+K"	61.952376
"256004"	1090.342768	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+ACN+Na"	64.015768
"1230900"	577.179268	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+ACN+Na"	64.015768
"1715049"	577.202793	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+NH4+HCOOH"	64.039293
"1180407"	194.043718	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+3Na"	68.967654
"1654313"	582.158188	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Na+HCOOH"	68.994688
"163361"	1103.24604	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+2K-H"	76.91904
"602922"	1616.40954	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+2K-H"	76.91904
"1095087"	590.08254	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2K-H"	76.91904
"143154"	552.126658	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"2M+2K"	77.926316
"583810"	808.708408	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"3M+2K"	77.926316
"1070873"	295.544908	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2K"	77.926316
"1111381"	592.097092	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2K+H"	78.933592
"1341204"	592.184707	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+DMSO+H"	79.021207
"1011920"	596.223876	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2ACN+H"	83.060376
"1534419"	597.217508	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+IsoProp+Na+H"	84.054008
"996492"	298.615576	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+2ACN+2H"	84.067652
"1598651"	598.132128	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+K+HCOOH"	84.968628
"1419938"	628.163638	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+H+CF3COOH"	115.000138
"1154599"	319.128851	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+3ACN+2H"	125.094202
"1704154"	645.190185	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+NH4+CF3COOH"	132.026685
"1634239"	650.14558	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+Na+CF3COOH"	136.98208
"1579834"	666.11952	"C12432"	"Carminomycin"	"C26H27NO10"	"513.1635"	"M+K+CF3COOH"	152.95602
"802544"	529.1948	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M"	0
"976076"	510.17641	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H2O-H"	-19.01839
"67598"	351.789257333333	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-3H"	-3.021828
"507160"	528.187524	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-3H"	-3.021828
"887148"	175.390990666667	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-3H"	-3.021828
"7910"	528.187524	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H"	-2.014552
"440300"	792.784924	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H"	-2.014552
"817372"	263.590124	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H"	-2.014552
"86357"	1057.382324	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-H"	-1.007276
"528104"	1586.577124	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-H"	-1.007276
"904813"	528.187524	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H"	-1.007276
"57002"	1074.408871	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H+NH4"	16.019271
"491100"	1603.603671	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H+NH4"	16.019271
"867806"	545.214071	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H+NH4"	16.019271
"35711"	1079.364266	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H+Na"	20.974666
"477459"	1608.559066	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H+Na"	20.974666
"853077"	550.169466	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H+Na"	20.974666
"1620423"	550.169466	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na-2H"	20.974666
"98046"	546.175863	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-H+Cl"	33.962126
"536876"	810.773263	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-H+Cl"	33.962126
"928931"	281.578463	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+Cl"	33.962126
"268219"	1093.359002	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Cl"	34.969402
"660435"	1622.553802	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+Cl"	34.969402
"1275963"	564.164202	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl"	34.969402
"20707"	1095.338206	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M-2H+K"	36.948606
"458080"	1624.533006	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M-2H+K"	36.948606
"834787"	566.143406	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-2H+K"	36.948606
"1560827"	566.143406	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K-2H"	36.948606
"946158"	574.192994	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+HCOOH"	44.998194
"365467"	1103.387801	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+HCOOH-H"	44.998201
"350084"	1117.403451	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Hac-H"	59.013851
"1495636"	588.208651	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Hac-H"	59.013851
"964273"	596.174951	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+NaCOOH"	66.980151
"112448"	564.164202	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2Cl"	69.938804
"551640"	828.761602	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2Cl"	69.938804
"1022992"	299.566802	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2Cl"	69.938804
"1246948"	608.113685	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Br"	78.918885
"1308305"	610.169672	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl+HCOOH"	80.974872
"1323977"	632.151629	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl+NaCOOH"	102.956829
"915039"	642.180386	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M-H+CF3COOH"	112.985586
"1291381"	678.157064	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Cl+CF3COOH"	148.962264
"1369182"	494.182124	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H-2H2O"	-35.012676
"1385951"	512.1921	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H-H2O"	-17.0027
"298494"	1059.396876	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H"	1.007276
"687544"	1588.591676	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H"	1.007276
"1363530"	530.202076	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H"	1.007276
"137874"	530.202076	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2H"	2.014552
"575252"	794.799476	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2H"	2.014552
"1040769"	265.604676	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2H"	2.014552
"206481"	353.803809333333	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+3H"	3.021828
"651513"	530.202076	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+3H"	3.021828
"1171825"	177.405542666667	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+3H"	3.021828
"428535"	1076.423423	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+NH4"	18.033823
"790622"	1605.618223	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+NH4"	18.033823
"1686954"	547.228623	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+NH4"	18.033823
"337422"	538.7153495	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H+NH4"	19.041099
"732028"	803.3127495	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H+NH4"	19.041099
"1484755"	274.1179495	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+NH4"	19.041099
"400154"	1081.378818	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Na"	22.989218
"763340"	1610.573618	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+Na"	22.989218
"1611437"	552.184018	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na"	22.989218
"319284"	541.193047	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H+Na"	23.996494
"719371"	805.790447	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H+Na"	23.996494
"1473191"	276.595647	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+Na"	23.996494
"1066437"	184.732856666667	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2H+Na"	25.00377
"1263741"	562.228286	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+CH3OH+H"	33.033486
"386690"	1097.352758	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+K"	38.963158
"750967"	1626.547558	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+K"	38.963158
"1551560"	568.157958	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K"	38.963158
"304726"	549.180017	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+H+K"	39.970434
"696052"	813.777417	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+H+K"	39.970434
"1449870"	284.582617	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+K"	39.970434
"240657"	1100.423426	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+ACN+H"	42.033826
"1215554"	571.228626	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+ACN+H"	42.033826
"1197251"	286.117951	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+ACN+2H"	43.041102
"195588"	1103.36076	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2Na-H"	44.97116
"631868"	1632.55556	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2Na-H"	44.97116
"1135373"	574.16596	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2Na-H"	44.97116
"174655"	552.184018	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2Na"	45.978436
"614943"	816.781418	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2Na"	45.978436
"1116263"	287.586618	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2Na"	45.978436
"1400150"	192.060170666667	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+2Na"	46.985712
"1431176"	576.207546	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+HCOOH"	47.012746
"232540"	557.21704	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+3H2O+2H"	56.04448
"1518415"	590.25959	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+IsoProp+H"	61.06479
"414823"	560.170988	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+Na+K"	61.952376
"778003"	824.768388	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+Na+K"	61.952376
"1671051"	295.573588	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na+K"	61.952376
"256478"	1122.405368	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+ACN+Na"	64.015768
"1234654"	593.210568	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+ACN+Na"	64.015768
"1715889"	593.234093	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+NH4+HCOOH"	64.039293
"1180881"	199.387484666667	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+3Na"	68.967654
"1655516"	598.189488	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na+HCOOH"	68.994688
"166751"	1135.30864	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2K-H"	76.91904
"605219"	1664.50344	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2K-H"	76.91904
"1095197"	606.11384	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2K-H"	76.91904
"148733"	568.157958	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"2M+2K"	77.926316
"586107"	832.755358	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"3M+2K"	77.926316
"1071714"	303.560558	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2K"	77.926316
"1106024"	608.128392	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2K+H"	78.933592
"1341314"	608.216007	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+DMSO+H"	79.021207
"1010936"	612.255176	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2ACN+H"	83.060376
"1529062"	613.248808	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+IsoProp+Na+H"	84.054008
"993322"	306.631226	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+2ACN+2H"	84.067652
"1592200"	614.163428	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K+HCOOH"	84.968628
"1418954"	644.194938	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+H+CF3COOH"	115.000138
"1152522"	327.144501	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+3ACN+2H"	125.094202
"1704264"	661.221485	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+NH4+CF3COOH"	132.026685
"1634569"	666.17688	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+Na+CF3COOH"	136.98208
"1579944"	682.15082	"C12433"	"(13S)-13-Dihydrodaunorubicin;Daunorubicinol;13-Dihydrodaunorubicin"	"C27H31NO10"	"529.1948"	"M+K+CF3COOH"	152.95602
"809216"	286.0841	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M"	0
"979468"	267.06571	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"69897"	189.715457333333	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"514926"	285.076824	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"891269"	94.3540906666667	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"9115"	285.076824	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"447582"	428.118874	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"827570"	142.034774	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"91452"	571.160924	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"531375"	857.245024	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"908207"	285.076824	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"52740"	588.187471	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"488170"	874.271571	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"866822"	302.103371	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"34722"	593.142866	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"471443"	879.226966	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"849215"	307.058766	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1619196"	307.058766	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"98156"	303.065163	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"536622"	446.107213	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"927114"	160.023113	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"267209"	607.137602	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"659962"	893.221702	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1274980"	321.053502	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"20088"	609.116806	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"457216"	895.200906	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"833559"	323.032706	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1555607"	323.032706	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"942886"	331.082294	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"361932"	617.166401	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"345935"	631.182051	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1495015"	345.097951	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"960735"	353.064251	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"112558"	321.053502	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"549974"	464.095552	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1022375"	178.011452	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1241342"	365.002985	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1312427"	367.058972	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1328829"	389.040929	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"915511"	399.069686	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1291491"	435.046364	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1371111"	251.071424	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1385692"	269.0814	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"295231"	573.175476	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"681090"	859.259576	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1361813"	287.091376	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"128141"	287.091376	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"568798"	430.133426	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1037959"	144.049326	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"205127"	191.730009333333	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"647245"	287.091376	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1165370"	96.3686426666667	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"426456"	590.202023	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"787450"	876.286123	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1687063"	304.117923	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"338622"	295.6046495	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"728130"	438.6466995	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1484865"	152.5625995	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"399171"	595.157418	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"762357"	881.241518	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1608268"	309.073318	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"318301"	298.082347	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"718388"	441.124397	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1470021"	155.040297	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1065819"	103.695956666667	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1263851"	319.117586	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"386800"	611.131358	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"750348"	897.215458	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1552034"	325.047258	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"303742"	306.069317	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"696162"	449.111367	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1448886"	163.027267	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"239675"	614.202026	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1215663"	328.117926	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1198453"	164.562601	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"194605"	617.13936	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"635258"	903.22346	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1137667"	331.05526	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"179866"	309.073318	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"613960"	452.115368	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1118921"	166.031268	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1400260"	111.023270666667	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1433109"	333.096846	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"230463"	314.10634	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1514152"	347.14889	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"410555"	317.060288	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"775925"	460.102338	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1671160"	174.018238	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"256588"	636.183968	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1230389"	350.099868	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1715635"	350.123393	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1180628"	118.350584666667	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1651974"	355.078788	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"166861"	649.08724	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"602048"	935.17134	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1088746"	363.00314	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"145563"	325.047258	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"582937"	468.089308	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1071454"	182.005208	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1106132"	365.017692	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1341424"	365.105307	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1007399"	369.144476	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1526986"	370.138108	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"994526"	185.075876	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1595592"	371.052728	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1422346"	401.084238	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1153727"	205.589151	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1704374"	418.110785	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1634558"	423.06618	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1580054"	439.04012	"C12434"	"(S)-DNPA;4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho23-cpyran-3-acetic acid"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"803857"	288.0998	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M"	0
"981764"	269.08141	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-H2O-H"	-19.01839
"67818"	191.059257333333	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M-3H"	-3.021828
"516129"	287.092524	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M-3H"	-3.021828
"891379"	95.0259906666667	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-3H"	-3.021828
"9225"	287.092524	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M-2H"	-2.014552
"448786"	431.142424	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M-2H"	-2.014552
"824399"	143.042624	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-2H"	-2.014552
"84391"	575.192324	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M-H"	-1.007276
"525044"	863.292124	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M-H"	-1.007276
"903940"	287.092524	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-H"	-1.007276
"56127"	592.218871	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M-2H+NH4"	16.019271
"489132"	880.318671	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M-2H+NH4"	16.019271
"865839"	304.119071	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-2H+NH4"	16.019271
"34829"	597.174266	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M-2H+Na"	20.974666
"472447"	885.274066	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M-2H+Na"	20.974666
"849529"	309.074466	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-2H+Na"	20.974666
"1622832"	309.074466	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Na-2H"	20.974666
"101546"	305.080863	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M-H+Cl"	33.962126
"536731"	449.130763	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M-H+Cl"	33.962126
"927806"	161.030963	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-H+Cl"	33.962126
"267948"	611.169002	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+Cl"	34.969402
"663780"	899.268802	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+Cl"	34.969402
"1280924"	323.069202	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Cl"	34.969402
"25302"	613.148206	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M-2H+K"	36.948606
"462677"	901.248006	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M-2H+K"	36.948606
"837925"	325.048406	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-2H+K"	36.948606
"1560320"	325.048406	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+K-2H"	36.948606
"949296"	333.097994	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-H+HCOOH"	44.998194
"366420"	621.197801	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+HCOOH-H"	44.998201
"351397"	635.213451	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+Hac-H"	59.013851
"1495854"	347.113651	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Hac-H"	59.013851
"961938"	355.079951	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-H+NaCOOH"	66.980151
"115585"	323.069202	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+2Cl"	69.938804
"550890"	467.119102	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+2Cl"	69.938804
"1022485"	179.019302	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2Cl"	69.938804
"1241571"	367.018685	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Br"	78.918885
"1309618"	369.074672	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Cl+HCOOH"	80.974872
"1330035"	391.056629	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Cl+NaCOOH"	102.956829
"917812"	401.085386	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M-H+CF3COOH"	112.985586
"1293789"	437.062064	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Cl+CF3COOH"	148.962264
"1371222"	253.087124	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H-2H2O"	-35.012676
"1385801"	271.0971	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H-H2O"	-17.0027
"295341"	577.206876	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+H"	1.007276
"682293"	865.306676	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+H"	1.007276
"1361923"	289.107076	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H"	1.007276
"128251"	289.107076	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+2H"	2.014552
"571094"	433.156976	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+2H"	2.014552
"1038432"	145.057176	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2H"	2.014552
"205967"	193.073809333333	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+3H"	3.021828
"647719"	289.107076	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+3H"	3.021828
"1164019"	97.0405426666667	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+3H"	3.021828
"426927"	594.233423	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+NH4"	18.033823
"788652"	882.333223	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+NH4"	18.033823
"1688266"	306.133623	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+NH4"	18.033823
"336544"	297.6203495	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+H+NH4"	19.041099
"728968"	441.6702495	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+H+NH4"	19.041099
"1486068"	153.5704495	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H+NH4"	19.041099
"400374"	599.188818	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+Na"	22.989218
"759188"	887.288618	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+Na"	22.989218
"1608378"	311.089018	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Na"	22.989218
"316587"	300.098047	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+H+Na"	23.996494
"709373"	444.147947	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+H+Na"	23.996494
"1470131"	156.048147	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H+Na"	23.996494
"1058998"	104.367856666667	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2H+Na"	25.00377
"1263961"	321.133286	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+CH3OH+H"	33.033486
"384723"	615.162758	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+K"	38.963158
"747904"	903.262558	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+K"	38.963158
"1546676"	327.062958	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+K"	38.963158
"301666"	308.085017	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+H+K"	39.970434
"693717"	452.134917	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+H+K"	39.970434
"1446928"	164.035117	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H+K"	39.970434
"238691"	618.233426	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+ACN+H"	42.033826
"1213587"	330.133626	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+ACN+H"	42.033826
"1198563"	165.570451	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+ACN+2H"	43.041102
"196903"	621.17076	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+2Na-H"	44.97116
"633182"	909.27056	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+2Na-H"	44.97116
"1135590"	333.07096	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2Na-H"	44.97116
"177788"	311.089018	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+2Na"	45.978436
"616257"	455.138918	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+2Na"	45.978436
"1117575"	167.039118	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2Na"	45.978436
"1401098"	111.695170666667	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H+2Na"	46.985712
"1435407"	335.112546	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H+HCOOH"	47.012746
"229480"	316.12204	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+3H2O+2H"	56.04448
"1514262"	349.16459	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+IsoProp+H"	61.06479
"412852"	319.075988	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+Na+K"	61.952376
"778222"	463.125888	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+Na+K"	61.952376
"1671270"	175.026088	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Na+K"	61.952376
"257792"	640.215368	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+ACN+Na"	64.015768
"1230499"	352.115568	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+ACN+Na"	64.015768
"1717202"	352.139093	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+NH4+HCOOH"	64.039293
"1184748"	119.022484666667	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+3Na"	68.967654
"1652449"	357.094488	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Na+HCOOH"	68.994688
"166971"	653.11864	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+2K-H"	76.91904
"602158"	941.21844	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+2K-H"	76.91904
"1088856"	365.01884	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2K-H"	76.91904
"148953"	327.062958	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"2M+2K"	77.926316
"589607"	471.112858	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"3M+2K"	77.926316
"1070593"	183.013058	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2K"	77.926316
"1109521"	367.033392	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2K+H"	78.933592
"1344813"	367.121007	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+DMSO+H"	79.021207
"1007509"	371.160176	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2ACN+H"	83.060376
"1529282"	372.153808	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+IsoProp+Na+H"	84.054008
"997916"	186.083726	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+2ACN+2H"	84.067652
"1597888"	373.068428	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+K+HCOOH"	84.968628
"1425735"	403.099938	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+H+CF3COOH"	115.000138
"1157116"	206.597001	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+3ACN+2H"	125.094202
"1704483"	420.126485	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+NH4+CF3COOH"	132.026685
"1636857"	425.08188	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+Na+CF3COOH"	136.98208
"1572509"	441.05582	"C12435"	"6-Deoxydihydrokalafungin;DDHK"	"C16H16O5"	"288.0998"	"M+K+CF3COOH"	152.95602
"801507"	302.079	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M"	0
"979688"	283.06061	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-H2O-H"	-19.01839
"66835"	200.378724	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M-3H"	-3.021828
"515147"	301.071724	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M-3H"	-3.021828
"888574"	99.685724	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-3H"	-3.021828
"8242"	301.071724	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M-2H"	-2.014552
"444521"	452.111224	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M-2H"	-2.014552
"819404"	150.032224	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-2H"	-2.014552
"80854"	603.150724	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M-H"	-1.007276
"521144"	905.229724	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M-H"	-1.007276
"899675"	301.071724	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-H"	-1.007276
"52957"	620.177271	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M-2H+NH4"	16.019271
"490335"	922.256271	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M-2H+NH4"	16.019271
"865095"	318.098271	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-2H+NH4"	16.019271
"32390"	625.132666	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M-2H+Na"	20.974666
"473534"	927.211666	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M-2H+Na"	20.974666
"849881"	323.053666	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-2H+Na"	20.974666
"1619656"	323.053666	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Na-2H"	20.974666
"98376"	319.060063	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M-H+Cl"	33.962126
"534772"	470.099563	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M-H+Cl"	33.962126
"928045"	168.020563	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-H+Cl"	33.962126
"267280"	639.127402	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+Cl"	34.969402
"663890"	941.206402	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+Cl"	34.969402
"1276293"	337.048402	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Cl"	34.969402
"21037"	641.106606	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M-2H+K"	36.948606
"462421"	943.185606	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M-2H+K"	36.948606
"839129"	339.027606	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-2H+K"	36.948606
"1560430"	339.027606	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+K-2H"	36.948606
"944301"	347.077194	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-H+HCOOH"	44.998194
"362517"	649.156201	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+HCOOH-H"	44.998201
"350048"	663.171851	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+Hac-H"	59.013851
"1495964"	361.092851	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Hac-H"	59.013851
"962412"	369.059151	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-H+NaCOOH"	66.980151
"111075"	337.048402	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+2Cl"	69.938804
"551243"	488.087902	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+2Cl"	69.938804
"1021535"	186.008902	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2Cl"	69.938804
"1241477"	380.997885	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Br"	78.918885
"1308999"	383.053872	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Cl+HCOOH"	80.974872
"1330145"	405.035829	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Cl+NaCOOH"	102.956829
"920109"	415.064586	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M-H+CF3COOH"	112.985586
"1293536"	451.041264	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Cl+CF3COOH"	148.962264
"1374978"	267.066324	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H-2H2O"	-35.012676
"1384817"	285.0763	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H-H2O"	-17.0027
"294358"	605.165276	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+H"	1.007276
"682403"	907.244276	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+H"	1.007276
"1359846"	303.086276	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H"	1.007276
"129454"	303.086276	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+2H"	2.014552
"571204"	454.125776	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+2H"	2.014552
"1037691"	152.046776	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2H"	2.014552
"204741"	202.393276	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+3H"	3.021828
"648193"	303.086276	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+3H"	3.021828
"1163397"	101.700276	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+3H"	3.021828
"425580"	622.191823	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+NH4"	18.033823
"788398"	924.270823	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+NH4"	18.033823
"1681687"	320.112823	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+NH4"	18.033823
"331550"	311.5995495	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+H+NH4"	19.041099
"726889"	462.6390495	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+H+NH4"	19.041099
"1485085"	160.5600495	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H+NH4"	19.041099
"393921"	627.147218	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+Na"	22.989218
"761484"	929.226218	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+Na"	22.989218
"1610675"	325.068218	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Na"	22.989218
"317792"	314.077247	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+H+Na"	23.996494
"709483"	465.116747	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+H+Na"	23.996494
"1469148"	163.037747	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H+Na"	23.996494
"1062390"	109.02759	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2H+Na"	25.00377
"1268446"	335.112486	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+CH3OH+H"	33.033486
"392124"	643.121158	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+K"	38.963158
"748014"	945.200158	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+K"	38.963158
"1546787"	341.042158	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+K"	38.963158
"303963"	322.064217	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+H+K"	39.970434
"696381"	473.103717	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+H+K"	39.970434
"1446919"	171.024717	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H+K"	39.970434
"240990"	646.191826	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+ACN+H"	42.033826
"1212605"	344.112826	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+ACN+H"	42.033826
"1199769"	172.560051	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+ACN+2H"	43.041102
"199200"	649.12916	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+2Na-H"	44.97116
"634386"	951.20816	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+2Na-H"	44.97116
"1135701"	347.05016	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2Na-H"	44.97116
"178991"	325.068218	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+2Na"	45.978436
"617461"	476.107718	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+2Na"	45.978436
"1118050"	174.028718	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2Na"	45.978436
"1400480"	116.354904	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H+2Na"	46.985712
"1439528"	349.091746	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H+HCOOH"	47.012746
"229590"	330.10124	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+3H2O+2H"	56.04448
"1516560"	363.14379	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+IsoProp+H"	61.06479
"414055"	333.055188	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+Na+K"	61.952376
"780520"	484.094688	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+Na+K"	61.952376
"1671381"	182.015688	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Na+K"	61.952376
"261182"	668.173768	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+ACN+Na"	64.015768
"1234259"	366.094768	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+ACN+Na"	64.015768
"1717677"	366.118293	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+NH4+HCOOH"	64.039293
"1184858"	123.682218	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+3Na"	68.967654
"1652561"	371.073688	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Na+HCOOH"	68.994688
"167081"	681.07704	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+2K-H"	76.91904
"602268"	983.15604	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+2K-H"	76.91904
"1088966"	378.99804	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2K-H"	76.91904
"149063"	341.042158	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"2M+2K"	77.926316
"589717"	492.081658	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"3M+2K"	77.926316
"1075323"	190.002658	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2K"	77.926316
"1112912"	381.012592	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2K+H"	78.933592
"1344923"	381.100207	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+DMSO+H"	79.021207
"1007984"	385.139376	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2ACN+H"	83.060376
"1531579"	386.133008	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+IsoProp+Na+H"	84.054008
"1000214"	193.073326	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+2ACN+2H"	84.067652
"1597998"	387.047628	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+K+HCOOH"	84.968628
"1424752"	417.079138	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+H+CF3COOH"	115.000138
"1157226"	213.586601	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+3ACN+2H"	125.094202
"1704593"	434.105685	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+NH4+CF3COOH"	132.026685
"1636967"	439.06108	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+Na+CF3COOH"	136.98208
"1572619"	455.03502	"C12436"	"Dihydrokalafungin;DHK"	"C16H14O6"	"302.079"	"M+K+CF3COOH"	152.95602
"809546"	457.1737	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M"	0
"978705"	438.15531	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-H2O-H"	-19.01839
"70227"	303.775190666667	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M-3H"	-3.021828
"517974"	456.166424	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M-3H"	-3.021828
"888684"	151.383957333333	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-3H"	-3.021828
"11632"	456.166424	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M-2H"	-2.014552
"444631"	684.753274	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M-2H"	-2.014552
"821337"	227.579574	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-2H"	-2.014552
"80237"	913.340124	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M-H"	-1.007276
"521983"	1370.513824	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M-H"	-1.007276
"903065"	456.166424	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-H"	-1.007276
"53067"	930.366671	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M-2H+NH4"	16.019271
"488381"	1387.540371	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M-2H+NH4"	16.019271
"864323"	473.192971	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-2H+NH4"	16.019271
"31650"	935.322066	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M-2H+Na"	20.974666
"471424"	1392.495766	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M-2H+Na"	20.974666
"862266"	478.148366	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-2H+Na"	20.974666
"1626333"	478.148366	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Na-2H"	20.974666
"105048"	474.154763	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M-H+Cl"	33.962126
"539139"	702.741613	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M-H+Cl"	33.962126
"929737"	245.567913	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-H+Cl"	33.962126
"267521"	949.316802	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+Cl"	34.969402
"664729"	1406.490502	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+Cl"	34.969402
"1273112"	492.143102	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Cl"	34.969402
"22240"	951.296006	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M-2H+K"	36.948606
"457911"	1408.469706	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M-2H+K"	36.948606
"834863"	494.122306	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-2H+K"	36.948606
"1561635"	494.122306	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+K-2H"	36.948606
"945872"	502.171894	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-H+HCOOH"	44.998194
"366641"	959.345601	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+HCOOH-H"	44.998201
"347607"	973.361251	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+Hac-H"	59.013851
"1497170"	516.187551	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Hac-H"	59.013851
"962525"	524.153851	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-H+NaCOOH"	66.980151
"112524"	492.143102	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+2Cl"	69.938804
"551353"	720.729952	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+2Cl"	69.938804
"1021930"	263.556252	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2Cl"	69.938804
"1241675"	536.092585	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Br"	78.918885
"1308745"	538.148572	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Cl+HCOOH"	80.974872
"1330984"	560.130529	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Cl+NaCOOH"	102.956829
"921312"	570.159286	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M-H+CF3COOH"	112.985586
"1295833"	606.135964	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Cl+CF3COOH"	148.962264
"1371807"	422.161024	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H-2H2O"	-35.012676
"1386387"	440.171	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H-H2O"	-17.0027
"295561"	915.354676	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+H"	1.007276
"684701"	1372.528376	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+H"	1.007276
"1356676"	458.180976	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H"	1.007276
"128470"	458.180976	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+2H"	2.014552
"572407"	686.767826	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+2H"	2.014552
"1041207"	229.594126	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2H"	2.014552
"205823"	305.789742666667	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+3H"	3.021828
"649761"	458.180976	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+3H"	3.021828
"1167887"	153.398509333333	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+3H"	3.021828
"427149"	932.381223	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+NH4"	18.033823
"786321"	1389.554923	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+NH4"	18.033823
"1681553"	475.207523	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+NH4"	18.033823
"331296"	466.6942495	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+H+NH4"	19.041099
"723838"	695.2810995	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+H+NH4"	19.041099
"1484106"	238.1073995	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H+NH4"	19.041099
"399865"	937.336618	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+Na"	22.989218
"764878"	1394.510318	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+Na"	22.989218
"1611880"	480.162918	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Na"	22.989218
"324101"	469.171947	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+H+Na"	23.996494
"716521"	697.758797	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+H+Na"	23.996494
"1469256"	240.585097	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H+Na"	23.996494
"1060315"	160.725823333333	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2H+Na"	25.00377
"1261994"	490.207186	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+CH3OH+H"	33.033486
"386036"	953.310558	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+K"	38.963158
"748124"	1410.484258	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+K"	38.963158
"1546897"	496.136858	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+K"	38.963158
"304072"	477.158917	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+H+K"	39.970434
"695398"	705.745767	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+H+K"	39.970434
"1446300"	248.572067	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H+K"	39.970434
"237818"	956.381226	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+ACN+H"	42.033826
"1211741"	499.207526	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+ACN+H"	42.033826
"1196598"	250.107401	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+ACN+2H"	43.041102
"193842"	959.31856	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+2Na-H"	44.97116
"631215"	1416.49226	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+2Na-H"	44.97116
"1134720"	502.14486	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2Na-H"	44.97116
"175094"	480.162918	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+2Na"	45.978436
"616478"	708.749768	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+2Na"	45.978436
"1118888"	251.576068	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2Na"	45.978436
"1401318"	168.053137333333	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H+2Na"	46.985712
"1438909"	504.186446	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H+HCOOH"	47.012746
"233348"	485.19594	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+3H2O+2H"	56.04448
"1518858"	518.23849	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+IsoProp+H"	61.06479
"416355"	488.149888	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+Na+K"	61.952376
"777350"	716.736738	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+Na+K"	61.952376
"1670035"	259.563038	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Na+K"	61.952376
"259106"	978.363168	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+ACN+Na"	64.015768
"1230724"	521.189468	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+ACN+Na"	64.015768
"1714873"	521.212993	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+NH4+HCOOH"	64.039293
"1186062"	175.380451333333	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+3Na"	68.967654
"1653768"	526.168388	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Na+HCOOH"	68.994688
"165005"	991.26644	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+2K-H"	76.91904
"604564"	1448.44014	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+2K-H"	76.91904
"1090170"	534.09274	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2K-H"	76.91904
"143706"	496.136858	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"2M+2K"	77.926316
"589827"	724.723708	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"3M+2K"	77.926316
"1074341"	267.550008	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2K"	77.926316
"1105368"	536.107292	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2K+H"	78.933592
"1346127"	536.194907	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+DMSO+H"	79.021207
"1012469"	540.234076	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2ACN+H"	83.060376
"1534970"	541.227708	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+IsoProp+Na+H"	84.054008
"997044"	270.620676	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+2ACN+2H"	84.067652
"1592641"	542.142328	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+K+HCOOH"	84.968628
"1420488"	572.173838	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+H+CF3COOH"	115.000138
"1156243"	291.133951	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+3ACN+2H"	125.094202
"1700328"	589.200385	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+NH4+CF3COOH"	132.026685
"1643637"	594.15578	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+Na+CF3COOH"	136.98208
"1576009"	610.12972	"C12437"	"Medermycin"	"C24H27NO8"	"457.1737"	"M+K+CF3COOH"	152.95602
"804189"	141.1154	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M"	0
"985377"	122.09701	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-H2O-H"	-19.01839
"70342"	93.0696573333333	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M-3H"	-3.021828
"508808"	140.108124	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M-3H"	-3.021828
"886609"	46.0311906666667	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-3H"	-3.021828
"6276"	140.108124	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M-2H"	-2.014552
"441461"	210.665824	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M-2H"	-2.014552
"817438"	69.550424	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-2H"	-2.014552
"78717"	281.223524	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M-H"	-1.007276
"519905"	422.338924	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M-H"	-1.007276
"897705"	140.108124	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-H"	-1.007276
"48811"	298.250071	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M-2H+NH4"	16.019271
"489465"	439.365471	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M-2H+NH4"	16.019271
"865441"	157.134671	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-2H+NH4"	16.019271
"35169"	303.205466	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M-2H+Na"	20.974666
"472056"	444.320866	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M-2H+Na"	20.974666
"850347"	162.090066	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-2H+Na"	20.974666
"1622068"	162.090066	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Na-2H"	20.974666
"94279"	158.096463	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M-H+Cl"	33.962126
"534248"	228.654163	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M-H+Cl"	33.962126
"928756"	87.538763	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-H+Cl"	33.962126
"278980"	317.200202	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+Cl"	34.969402
"662652"	458.315602	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+Cl"	34.969402
"1281619"	176.084802	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Cl"	34.969402
"21988"	319.179406	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M-2H+K"	36.948606
"460453"	460.294806	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M-2H+K"	36.948606
"841538"	178.064006	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-2H+K"	36.948606
"1557736"	178.064006	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+K-2H"	36.948606
"947442"	186.113594	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-H+HCOOH"	44.998194
"367846"	327.229001	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+HCOOH-H"	44.998201
"353917"	341.244651	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+Hac-H"	59.013851
"1497281"	200.129251	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Hac-H"	59.013851
"962635"	208.095551	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-H+NaCOOH"	66.980151
"112634"	176.084802	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+2Cl"	69.938804
"550080"	246.642502	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+2Cl"	69.938804
"1027558"	105.527102	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2Cl"	69.938804
"1252972"	220.034285	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Br"	78.918885
"1316152"	222.090272	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Cl+HCOOH"	80.974872
"1330365"	244.072229	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Cl+NaCOOH"	102.956829
"918143"	254.100986	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M-H+CF3COOH"	112.985586
"1295944"	290.077664	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Cl+CF3COOH"	148.962264
"1370457"	106.102724	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H-2H2O"	-35.012676
"1394893"	124.1127	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H-H2O"	-17.0027
"295671"	283.238076	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+H"	1.007276
"686999"	424.353476	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+H"	1.007276
"1353505"	142.122676	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H"	1.007276
"132961"	142.122676	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+2H"	2.014552
"572519"	212.680376	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+2H"	2.014552
"1042410"	71.564976	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2H"	2.014552
"211407"	95.0842093333333	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+3H"	3.021828
"649873"	142.122676	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+3H"	3.021828
"1169091"	48.0457426666667	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+3H"	3.021828
"429083"	300.264623	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+NH4"	18.033823
"787524"	441.380023	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+NH4"	18.033823
"1681541"	159.149223	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+NH4"	18.033823
"330347"	150.6359495	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+H+NH4"	19.041099
"727483"	221.1936495	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+H+NH4"	19.041099
"1484214"	80.0782495	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H+NH4"	19.041099
"397429"	305.220018	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+Na"	22.989218
"759521"	446.335418	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+Na"	22.989218
"1610893"	164.104618	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Na"	22.989218
"320930"	153.113647	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+H+Na"	23.996494
"715550"	223.671347	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+H+Na"	23.996494
"1468277"	82.555947	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H+Na"	23.996494
"1060427"	55.3730566666667	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2H+Na"	25.00377
"1267573"	174.148886	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+CH3OH+H"	33.033486
"386147"	321.193958	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+K"	38.963158
"741675"	462.309358	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+K"	38.963158
"1541539"	180.078558	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+K"	38.963158
"299807"	161.100617	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+H+K"	39.970434
"694416"	231.658317	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+H+K"	39.970434
"1446168"	90.542917	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H+K"	39.970434
"235731"	324.264626	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+ACN+H"	42.033826
"1210387"	183.149226	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+ACN+H"	42.033826
"1195244"	92.078251	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+ACN+2H"	43.041102
"190303"	327.20196	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+2Na-H"	44.97116
"631685"	468.31736	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+2Na-H"	44.97116
"1132761"	186.08656	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2Na-H"	44.97116
"173457"	164.104618	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+2Na"	45.978436
"613095"	234.662318	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+2Na"	45.978436
"1115838"	93.546918	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2Na"	45.978436
"1406903"	62.7003706666667	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H+2Na"	46.985712
"1440119"	188.128146	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H+HCOOH"	47.012746
"230907"	169.13764	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+3H2O+2H"	56.04448
"1517873"	202.18019	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+IsoProp+H"	61.06479
"414279"	172.091588	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+Na+K"	61.952376
"773089"	242.649288	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+Na+K"	61.952376
"1667960"	101.533888	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Na+K"	61.952376
"255935"	346.246568	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+ACN+Na"	64.015768
"1225686"	205.131168	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+ACN+Na"	64.015768
"1716443"	205.154693	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+NH4+HCOOH"	64.039293
"1180703"	70.0276846666667	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+3Na"	68.967654
"1650962"	210.110088	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Na+HCOOH"	68.994688
"165115"	359.14984	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+2K-H"	76.91904
"606861"	500.26524	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+2K-H"	76.91904
"1091373"	218.03444	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2K-H"	76.91904
"147096"	180.078558	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"2M+2K"	77.926316
"583741"	250.636258	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"3M+2K"	77.926316
"1077740"	109.520858	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2K"	77.926316
"1106574"	220.048992	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2K+H"	78.933592
"1339677"	220.136607	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+DMSO+H"	79.021207
"1008206"	224.175776	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2ACN+H"	83.060376
"1529613"	225.169408	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+IsoProp+Na+H"	84.054008
"999343"	112.591526	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+2ACN+2H"	84.067652
"1596033"	226.084028	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+K+HCOOH"	84.968628
"1420598"	256.115538	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+H+CF3COOH"	115.000138
"1151980"	133.104801	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+3ACN+2H"	125.094202
"1700441"	273.142085	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+NH4+CF3COOH"	132.026685
"1641563"	278.09748	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+Na+CF3COOH"	136.98208
"1575026"	294.07142	"C12440"	"Trachelanthamidine"	"C8H15NO"	"141.1154"	"M+K+CF3COOH"	152.95602
"804302"	531.1019	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M"	0
"977835"	512.08351	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-H2O-H"	-19.01839
"67170"	353.060657333333	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M-3H"	-3.021828
"511103"	530.094624	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M-3H"	-3.021828
"886717"	176.026690666667	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-3H"	-3.021828
"7479"	530.094624	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M-2H"	-2.014552
"445946"	795.645574	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M-2H"	-2.014552
"817912"	264.543674	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-2H"	-2.014552
"79035"	1061.196524	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M-H"	-1.007276
"528774"	1592.298424	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M-H"	-1.007276
"906212"	530.094624	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-H"	-1.007276
"53296"	1078.223071	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M-2H+NH4"	16.019271
"495048"	1609.324971	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M-2H+NH4"	16.019271
"872851"	547.121171	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-2H+NH4"	16.019271
"45372"	1083.178466	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M-2H+Na"	20.974666
"475938"	1614.280366	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M-2H+Na"	20.974666
"852646"	552.076566	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-2H+Na"	20.974666
"1626555"	552.076566	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Na-2H"	20.974666
"101991"	548.082963	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M-H+Cl"	33.962126
"541553"	813.633913	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M-H+Cl"	33.962126
"933972"	282.532013	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-H+Cl"	33.962126
"274717"	1097.173202	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+Cl"	34.969402
"662769"	1628.275102	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+Cl"	34.969402
"1283919"	566.071302	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Cl"	34.969402
"22103"	1099.152406	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M-2H+K"	36.948606
"457290"	1630.254306	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M-2H+K"	36.948606
"839467"	568.050506	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-2H+K"	36.948606
"1560770"	568.050506	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+K-2H"	36.948606
"948652"	576.100094	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-H+HCOOH"	44.998194
"364680"	1107.202001	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+HCOOH-H"	44.998201
"356217"	1121.217651	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+Hac-H"	59.013851
"1500674"	590.115751	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Hac-H"	59.013851
"967122"	598.082051	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-H+NaCOOH"	66.980151
"124419"	566.071302	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+2Cl"	69.938804
"558876"	831.622252	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+2Cl"	69.938804
"1032050"	300.520352	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2Cl"	69.938804
"1247254"	610.020785	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Br"	78.918885
"1308608"	612.076772	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Cl+HCOOH"	80.974872
"1323188"	634.058729	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Cl+NaCOOH"	102.956829
"914977"	644.087486	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M-H+CF3COOH"	112.985586
"1302628"	680.064164	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Cl+CF3COOH"	148.962264
"1380424"	496.089224	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H-2H2O"	-35.012676
"1395368"	514.0992	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H-H2O"	-17.0027
"291411"	1063.211076	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+H"	1.007276
"682742"	1594.312976	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+H"	1.007276
"1363465"	532.109176	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H"	1.007276
"134164"	532.109176	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+2H"	2.014552
"577008"	797.660126	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+2H"	2.014552
"1043623"	266.558226	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2H"	2.014552
"209335"	355.075209333333	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+3H"	3.021828
"652177"	532.109176	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+3H"	3.021828
"1169205"	178.041242666667	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+3H"	3.021828
"433572"	1080.237623	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+NH4"	18.033823
"791285"	1611.339523	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+NH4"	18.033823
"1689817"	549.135723	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+NH4"	18.033823
"339186"	540.6224495	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+H+NH4"	19.041099
"733797"	806.1733995	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+H+NH4"	19.041099
"1488711"	275.0714995	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H+NH4"	19.041099
"401923"	1085.193018	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+Na"	22.989218
"762917"	1616.294918	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+Na"	22.989218
"1616486"	554.091118	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Na"	22.989218
"322149"	543.100147	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+H+Na"	23.996494
"717851"	808.651097	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+H+Na"	23.996494
"1474952"	277.549197	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H+Na"	23.996494
"1064187"	185.368556666667	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2H+Na"	25.00377
"1268052"	564.135386	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+CH3OH+H"	33.033486
"386260"	1101.166958	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+K"	38.963158
"740692"	1632.268858	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+K"	38.963158
"1550401"	570.065058	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+K"	38.963158
"306484"	551.087117	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+H+K"	39.970434
"695623"	816.638067	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+H+K"	39.970434
"1448346"	285.536167	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H+K"	39.970434
"239134"	1104.237626	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+H"	42.033826
"1210749"	573.135726	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+ACN+H"	42.033826
"1204113"	287.071501	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+ACN+2H"	43.041102
"197347"	1107.17496	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+2Na-H"	44.97116
"639824"	1638.27686	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+2Na-H"	44.97116
"1133851"	576.07306	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2Na-H"	44.97116
"183345"	554.091118	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+2Na"	45.978436
"627773"	819.642068	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+2Na"	45.978436
"1129946"	288.540168	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2Na"	45.978436
"1411032"	192.695870666667	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H+2Na"	46.985712
"1439136"	578.114646	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H+HCOOH"	47.012746
"228830"	559.12414	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+3H2O+2H"	56.04448
"1511424"	592.16669	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+H"	61.06479
"410384"	562.078088	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+Na+K"	61.952376
"773203"	827.629038	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+Na+K"	61.952376
"1671721"	296.527138	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Na+K"	61.952376
"254960"	1126.219568	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+Na"	64.015768
"1227669"	595.117668	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+ACN+Na"	64.015768
"1715460"	595.141193	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+NH4+HCOOH"	64.039293
"1184098"	200.023184666667	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+3Na"	68.967654
"1651438"	600.096588	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Na+HCOOH"	68.994688
"159756"	1139.12284	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+2K-H"	76.91904
"600411"	1670.22474	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+2K-H"	76.91904
"1088203"	608.02094	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2K-H"	76.91904
"153050"	570.065058	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"2M+2K"	77.926316
"587875"	835.616008	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"3M+2K"	77.926316
"1074571"	304.514108	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2K"	77.926316
"1107777"	610.035492	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2K+H"	78.933592
"1341974"	610.123107	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+DMSO+H"	79.021207
"1009410"	614.162276	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+H"	83.060376
"1535193"	615.155908	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+Na+H"	84.054008
"990704"	307.584776	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+2H"	84.067652
"1597240"	616.070528	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+K+HCOOH"	84.968628
"1422903"	646.102038	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+H+CF3COOH"	115.000138
"1156473"	328.098051	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+3ACN+2H"	125.094202
"1703837"	663.128585	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+NH4+CF3COOH"	132.026685
"1641675"	668.08398	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+Na+CF3COOH"	136.98208
"1572952"	684.05792	"C12443"	"dTDP-beta-L-daunosamine"	"C16H27N3O13P2"	"531.1019"	"M+K+CF3COOH"	152.95602
"801738"	546.1016	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M"	0
"974825"	527.08321	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-H2O-H"	-19.01839
"67280"	363.060457333333	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M-3H"	-3.021828
"507933"	545.094324	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M-3H"	-3.021828
"883546"	181.026590666667	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-3H"	-3.021828
"539"	545.094324	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M-2H"	-2.014552
"444963"	818.145124	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M-2H"	-2.014552
"817901"	272.043524	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-2H"	-2.014552
"78860"	1091.195924	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M-H"	-1.007276
"525604"	1637.297524	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M-H"	-1.007276
"903406"	545.094324	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-H"	-1.007276
"53406"	1108.222471	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M-2H+NH4"	16.019271
"491878"	1654.324071	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M-2H+NH4"	16.019271
"872961"	562.120871	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-2H+NH4"	16.019271
"46209"	1113.177866	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M-2H+Na"	20.974666
"474955"	1659.279466	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M-2H+Na"	20.974666
"851663"	567.076266	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-2H+Na"	20.974666
"1626665"	567.076266	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Na-2H"	20.974666
"106476"	563.082663	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M-H+Cl"	33.962126
"541663"	836.133463	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M-H+Cl"	33.962126
"936270"	290.031863	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-H+Cl"	33.962126
"272640"	1127.172602	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+Cl"	34.969402
"666160"	1673.274202	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+Cl"	34.969402
"1275282"	581.071002	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Cl"	34.969402
"18566"	1129.151806	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M-2H+K"	36.948606
"457395"	1675.253406	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M-2H+K"	36.948606
"835202"	583.050206	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-2H+K"	36.948606
"1556864"	583.050206	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+K-2H"	36.948606
"944378"	591.099794	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-H+HCOOH"	44.998194
"362229"	1137.201401	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+HCOOH-H"	44.998201
"346847"	1151.217051	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+Hac-H"	59.013851
"1496409"	605.115451	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Hac-H"	59.013851
"962857"	613.081751	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-H+NaCOOH"	66.980151
"113585"	581.071002	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+2Cl"	69.938804
"561900"	854.121802	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+2Cl"	69.938804
"1035803"	308.020202	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2Cl"	69.938804
"1248457"	625.020485	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Br"	78.918885
"1308718"	627.076472	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Cl+HCOOH"	80.974872
"1321111"	649.058429	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Cl+NaCOOH"	102.956829
"916180"	659.087186	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M-H+CF3COOH"	112.985586
"1301280"	695.063864	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Cl+CF3COOH"	148.962264
"1377617"	511.088924	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H-2H2O"	-35.012676
"1392925"	529.0989	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H-H2O"	-17.0027
"292614"	1093.210476	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+H"	1.007276
"681754"	1639.312076	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+H"	1.007276
"1360295"	547.108876	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H"	1.007276
"132087"	547.108876	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+2H"	2.014552
"578211"	820.159676	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+2H"	2.014552
"1043733"	274.058076	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2H"	2.014552
"210174"	365.075009333333	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+3H"	3.021828
"652287"	547.108876	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+3H"	3.021828
"1168951"	183.041142666667	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+3H"	3.021828
"434775"	1110.237023	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+NH4"	18.033823
"791031"	1656.338623	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+NH4"	18.033823
"1691020"	564.135423	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+NH4"	18.033823
"339296"	555.6221495	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+H+NH4"	19.041099
"732814"	828.6729495	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+H+NH4"	19.041099
"1486635"	282.5713495	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H+NH4"	19.041099
"399847"	1115.192418	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+Na"	22.989218
"763027"	1661.294018	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+Na"	22.989218
"1613317"	569.090818	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Na"	22.989218
"322259"	558.099847	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+H+Na"	23.996494
"717597"	831.150647	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+H+Na"	23.996494
"1474698"	285.049047	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H+Na"	23.996494
"1063932"	190.368456666667	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2H+Na"	25.00377
"1266703"	579.135086	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+CH3OH+H"	33.033486
"384183"	1131.166358	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+K"	38.963158
"742986"	1677.267958	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+K"	38.963158
"1542857"	585.064758	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+K"	38.963158
"299304"	566.086817	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+H+K"	39.970434
"693178"	839.137617	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+H+K"	39.970434
"1446057"	293.036017	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H+K"	39.970434
"236203"	1134.237026	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+ACN+H"	42.033826
"1209998"	588.135426	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+ACN+H"	42.033826
"1205316"	294.571351	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+ACN+2H"	43.041102
"196364"	1137.17436	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+2Na-H"	44.97116
"639934"	1683.27596	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+2Na-H"	44.97116
"1132501"	591.07276	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2Na-H"	44.97116
"183455"	569.090818	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+2Na"	45.978436
"627641"	842.141618	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+2Na"	45.978436
"1125791"	296.040018	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2Na"	45.978436
"1410047"	197.695770666667	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H+2Na"	46.985712
"1437057"	593.114346	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H+HCOOH"	47.012746
"230030"	574.12384	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+3H2O+2H"	56.04448
"1515907"	607.16639	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+IsoProp+H"	61.06479
"414501"	577.077788	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+Na+K"	61.952376
"773308"	850.128588	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+Na+K"	61.952376
"1667571"	304.026988	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Na+K"	61.952376
"255070"	1156.218968	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+ACN+Na"	64.015768
"1231059"	610.117368	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+ACN+Na"	64.015768
"1715570"	610.140893	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+NH4+HCOOH"	64.039293
"1180924"	205.023084666667	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+3Na"	68.967654
"1650817"	615.096288	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Na+HCOOH"	68.994688
"158773"	1169.12224	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+2K-H"	76.91904
"600522"	1715.22384	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+2K-H"	76.91904
"1086490"	623.02064	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2K-H"	76.91904
"151701"	585.064758	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"2M+2K"	77.926316
"587983"	858.115558	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"3M+2K"	77.926316
"1075774"	312.013958	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2K"	77.926316
"1108980"	625.035192	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2K+H"	78.933592
"1342084"	625.122807	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+DMSO+H"	79.021207
"1009520"	629.161976	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2ACN+H"	83.060376
"1534210"	630.155608	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+IsoProp+Na+H"	84.054008
"991056"	315.084626	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+2ACN+2H"	84.067652
"1597349"	631.070228	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+K+HCOOH"	84.968628
"1423013"	661.101738	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+H+CF3COOH"	115.000138
"1156583"	335.597901	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+3ACN+2H"	125.094202
"1705040"	678.128285	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+NH4+CF3COOH"	132.026685
"1641785"	683.08368	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+Na+CF3COOH"	136.98208
"1574155"	699.05762	"C12444"	"dTDP-D-mycarose"	"C17H28N2O14P2"	"546.1016"	"M+K+CF3COOH"	152.95602
"811085"	532.0859	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M"	0
"975504"	513.06751	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-H2O-H"	-19.01839
"64110"	353.716657333333	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M-3H"	-3.021828
"511323"	531.078624	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M-3H"	-3.021828
"889126"	176.354690666667	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-3H"	-3.021828
"2233"	531.078624	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M-2H"	-2.014552
"443246"	797.121574	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M-2H"	-2.014552
"820684"	265.035674	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-2H"	-2.014552
"80678"	1063.164524	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M-H"	-1.007276
"528998"	1595.250424	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M-H"	-1.007276
"907527"	531.078624	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-H"	-1.007276
"51331"	1080.191071	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+NH4"	16.019271
"494904"	1612.276971	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+NH4"	16.019271
"877449"	548.105171	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-2H+NH4"	16.019271
"46319"	1085.146466	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+Na"	20.974666
"485640"	1617.232366	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+Na"	20.974666
"859429"	553.060566	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-2H+Na"	20.974666
"1627868"	553.060566	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Na-2H"	20.974666
"106586"	549.066963	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M-H+Cl"	33.962126
"541776"	815.109913	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M-H+Cl"	33.962126
"930185"	283.024013	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-H+Cl"	33.962126
"276035"	1099.141202	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+Cl"	34.969402
"666270"	1631.227102	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+Cl"	34.969402
"1278672"	567.055302	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Cl"	34.969402
"18312"	1101.120406	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+K"	36.948606
"458596"	1633.206306	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+K"	36.948606
"833610"	569.034506	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-2H+K"	36.948606
"1556367"	569.034506	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+K-2H"	36.948606
"945588"	577.084094	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-H+HCOOH"	44.998194
"364168"	1109.170001	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+HCOOH-H"	44.998201
"349875"	1123.185651	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+Hac-H"	59.013851
"1496519"	591.099751	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Hac-H"	59.013851
"960782"	599.066051	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-H+NaCOOH"	66.980151
"112967"	567.055302	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+2Cl"	69.938804
"561281"	833.098252	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+2Cl"	69.938804
"1035184"	301.012352	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2Cl"	69.938804
"1249660"	611.004785	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Br"	78.918885
"1314295"	613.060772	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+HCOOH"	80.974872
"1320127"	635.042729	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+NaCOOH"	102.956829
"915197"	645.071486	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M-H+CF3COOH"	112.985586
"1298474"	681.048164	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+CF3COOH"	148.962264
"1375541"	497.073224	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H-2H2O"	-35.012676
"1391942"	515.0832	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H-H2O"	-17.0027
"290538"	1065.179076	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+H"	1.007276
"681864"	1597.264976	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+H"	1.007276
"1359312"	533.093176	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H"	1.007276
"131104"	533.093176	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+2H"	2.014552
"577228"	799.136126	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+2H"	2.014552
"1043843"	267.050226	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2H"	2.014552
"209921"	355.731209333333	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+3H"	3.021828
"652397"	533.093176	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+3H"	3.021828
"1167968"	178.369242666667	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+3H"	3.021828
"432698"	1082.205623	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+NH4"	18.033823
"790777"	1614.291523	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+NH4"	18.033823
"1691128"	550.119723	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+NH4"	18.033823
"339406"	541.6064495	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+H+NH4"	19.041099
"732922"	807.6493995	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+H+NH4"	19.041099
"1486745"	275.5634995	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H+NH4"	19.041099
"401049"	1087.161018	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+Na"	22.989218
"764230"	1619.246918	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+Na"	22.989218
"1613064"	555.075118	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Na"	22.989218
"324555"	544.084147	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+H+Na"	23.996494
"716979"	810.127097	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+H+Na"	23.996494
"1474444"	278.041197	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H+Na"	23.996494
"1064042"	185.696556666667	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2H+Na"	25.00377
"1267179"	565.119386	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+CH3OH+H"	33.033486
"384293"	1103.134958	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+K"	38.963158
"743096"	1635.220858	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+K"	38.963158
"1545154"	571.049058	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+K"	38.963158
"301964"	552.071117	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+H+K"	39.970434
"693288"	818.114067	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+H+K"	39.970434
"1446737"	286.028167	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H+K"	39.970434
"236800"	1106.205626	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+H"	42.033826
"1211811"	574.119726	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+H"	42.033826
"1204697"	287.563501	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+2H"	43.041102
"194287"	1109.14296	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na-H"	44.97116
"637128"	1641.22886	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na-H"	44.97116
"1135163"	577.05706	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2Na-H"	44.97116
"180649"	555.075118	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na"	45.978436
"627627"	821.118068	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na"	45.978436
"1121891"	289.032168	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2Na"	45.978436
"1411251"	193.023870666667	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H+2Na"	46.985712
"1436074"	579.098646	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H+HCOOH"	47.012746
"229047"	560.10814	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+3H2O+2H"	56.04448
"1512738"	593.15069	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+H"	61.06479
"412423"	563.062088	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+Na+K"	61.952376
"771231"	829.105038	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+Na+K"	61.952376
"1666829"	297.019138	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Na+K"	61.952376
"252986"	1128.187568	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+Na"	64.015768
"1226183"	596.101668	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+Na"	64.015768
"1714222"	596.125193	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+HCOOH"	64.039293
"1179942"	200.351184666667	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+3Na"	68.967654
"1651292"	601.080588	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Na+HCOOH"	68.994688
"158884"	1141.09084	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+2K-H"	76.91904
"601725"	1673.17674	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+2K-H"	76.91904
"1087329"	609.00494	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2K-H"	76.91904
"145244"	571.049058	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"2M+2K"	77.926316
"591006"	837.092008	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"3M+2K"	77.926316
"1078067"	305.006108	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2K"	77.926316
"1109091"	611.019492	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2K+H"	78.933592
"1341101"	611.107107	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+DMSO+H"	79.021207
"1007443"	615.146276	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+H"	83.060376
"1524466"	616.139908	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+Na+H"	84.054008
"990427"	308.076776	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+2H"	84.067652
"1596367"	617.054528	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+K+HCOOH"	84.968628
"1423123"	647.086038	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+H+CF3COOH"	115.000138
"1158883"	328.590051	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+3ACN+2H"	125.094202
"1709525"	664.112585	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+CF3COOH"	132.026685
"1644082"	669.06798	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+Na+CF3COOH"	136.98208
"1575358"	685.04192	"C12446"	"dTDP-D-oliose;dTDP-26-dideoxy-D-galactose"	"C16H26N2O14P2"	"532.0859"	"M+K+CF3COOH"	152.95602
"807912"	516.091	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M"	0
"978164"	497.07261	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-H2O-H"	-19.01839
"67500"	343.053390666667	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M-3H"	-3.021828
"504022"	515.083724	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M-3H"	-3.021828
"885956"	171.023057333333	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-3H"	-3.021828
"3436"	515.083724	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M-2H"	-2.014552
"442990"	773.129224	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M-2H"	-2.014552
"820065"	257.038224	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-2H"	-2.014552
"82245"	1031.174724	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M-H"	-1.007276
"531296"	1547.265724	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M-H"	-1.007276
"905816"	515.083724	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-H"	-1.007276
"50348"	1048.201271	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M-2H+NH4"	16.019271
"495378"	1564.292271	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M-2H+NH4"	16.019271
"875371"	532.110271	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-2H+NH4"	16.019271
"45944"	1053.156666	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M-2H+Na"	20.974666
"485628"	1569.247666	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M-2H+Na"	20.974666
"859539"	537.065666	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-2H+Na"	20.974666
"1621417"	537.065666	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Na-2H"	20.974666
"103416"	533.072063	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M-H+Cl"	33.962126
"541886"	791.117563	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M-H+Cl"	33.962126
"929931"	275.026563	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-H+Cl"	33.962126
"273955"	1067.151402	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+Cl"	34.969402
"671844"	1583.242402	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+Cl"	34.969402
"1277689"	551.060402	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Cl"	34.969402
"18059"	1069.130606	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M-2H+K"	36.948606
"457373"	1585.221606	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M-2H+K"	36.948606
"834330"	553.039606	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-2H+K"	36.948606
"1556395"	553.039606	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+K-2H"	36.948606
"947885"	561.089194	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-H+HCOOH"	44.998194
"363185"	1077.180201	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+HCOOH-H"	44.998201
"349985"	1091.195851	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+Hac-H"	59.013851
"1494443"	575.104851	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Hac-H"	59.013851
"960892"	583.071151	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-H+NaCOOH"	66.980151
"111014"	551.060402	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+2Cl"	69.938804
"559204"	809.105902	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+2Cl"	69.938804
"1030189"	293.014902	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2Cl"	69.938804
"1249771"	595.009885	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Br"	78.918885
"1314406"	597.065872	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Cl+HCOOH"	80.974872
"1323154"	619.047829	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Cl+NaCOOH"	102.956829
"917494"	629.076586	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M-H+CF3COOH"	112.985586
"1299677"	665.053264	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Cl+CF3COOH"	148.962264
"1374558"	481.078324	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H-2H2O"	-35.012676
"1388772"	499.0883	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H-H2O"	-17.0027
"289555"	1033.189276	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+H"	1.007276
"678695"	1549.280276	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+H"	1.007276
"1358329"	517.098276	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H"	1.007276
"131214"	517.098276	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+2H"	2.014552
"575152"	775.143776	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+2H"	2.014552
"1047235"	259.052776	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2H"	2.014552
"210761"	345.067942666667	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+3H"	3.021828
"651414"	517.098276	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+3H"	3.021828
"1167349"	173.037609333333	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+3H"	3.021828
"428068"	1050.215823	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+NH4"	18.033823
"787360"	1566.306823	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+NH4"	18.033823
"1689053"	534.124823	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+NH4"	18.033823
"337330"	525.6115495	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+H+NH4"	19.041099
"733031"	783.6570495	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+H+NH4"	19.041099
"1485762"	267.5660495	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H+NH4"	19.041099
"401159"	1055.171218	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+Na"	22.989218
"761061"	1571.262218	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+Na"	22.989218
"1613537"	539.080218	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Na"	22.989218
"322479"	528.089247	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+H+Na"	23.996494
"717089"	786.134747	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+H+Na"	23.996494
"1467626"	270.043747	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H+Na"	23.996494
"1063059"	180.364923333333	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2H+Na"	25.00377
"1268016"	549.124486	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+CH3OH+H"	33.033486
"383310"	1071.145158	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+K"	38.963158
"739683"	1587.236158	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+K"	38.963158
"1545264"	555.054158	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+K"	38.963158
"300252"	536.076217	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+H+K"	39.970434
"692301"	794.121717	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+H+K"	39.970434
"1446604"	278.030717	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H+K"	39.970434
"236419"	1074.215826	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+ACN+H"	42.033826
"1211072"	558.124826	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+ACN+H"	42.033826
"1203714"	279.566051	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+ACN+2H"	43.041102
"193304"	1077.15316	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+2Na-H"	44.97116
"636145"	1593.24416	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+2Na-H"	44.97116
"1137459"	561.06216	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2Na-H"	44.97116
"180759"	539.080218	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+2Na"	45.978436
"627247"	797.125718	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+2Na"	45.978436
"1126742"	281.034718	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2Na"	45.978436
"1410268"	187.692237333333	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H+2Na"	46.985712
"1441289"	563.103746	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H+HCOOH"	47.012746
"231711"	544.11324	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+3H2O+2H"	56.04448
"1515035"	577.15579	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+IsoProp+H"	61.06479
"414721"	547.067188	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+Na+K"	61.952376
"774621"	805.112688	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+Na+K"	61.952376
"1668764"	289.021688	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Na+K"	61.952376
"257471"	1096.197768	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+ACN+Na"	64.015768
"1230180"	580.106768	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+ACN+Na"	64.015768
"1713117"	580.130293	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+NH4+HCOOH"	64.039293
"1178956"	195.019551333333	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+3Na"	68.967654
"1653225"	585.085688	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Na+HCOOH"	68.994688
"161181"	1109.10104	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+2K-H"	76.91904
"602929"	1625.19204	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+2K-H"	76.91904
"1087439"	593.01004	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2K-H"	76.91904
"146447"	555.054158	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"2M+2K"	77.926316
"582843"	813.099658	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"3M+2K"	77.926316
"1077084"	297.008658	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2K"	77.926316
"1110294"	595.024592	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2K+H"	78.933592
"1336348"	595.112207	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+DMSO+H"	79.021207
"1007300"	599.151376	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2ACN+H"	83.060376
"1526398"	600.145008	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+IsoProp+Na+H"	84.054008
"990660"	300.079326	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+2ACN+2H"	84.067652
"1592101"	601.059628	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+K+HCOOH"	84.968628
"1419951"	631.091138	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+H+CF3COOH"	115.000138
"1160086"	320.592601	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+3ACN+2H"	125.094202
"1709635"	648.117685	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+NH4+CF3COOH"	132.026685
"1644192"	653.07308	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+Na+CF3COOH"	136.98208
"1573282"	669.04702	"C12447"	"dTDP-beta-L-rhodinose"	"C16H26N2O13P2"	"516.091"	"M+K+CF3COOH"	152.95602
"805834"	199.1208	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M"	0
"980460"	180.10241	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-H2O-H"	-19.01839
"69797"	131.739924	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M-3H"	-3.021828
"510451"	198.113524	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M-3H"	-3.021828
"889346"	65.366324	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-3H"	-3.021828
"6827"	198.113524	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M-2H"	-2.014552
"445293"	297.673924	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M-2H"	-2.014552
"821999"	98.553124	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-2H"	-2.014552
"79805"	397.234324	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M-H"	-1.007276
"533474"	596.355124	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M-H"	-1.007276
"907749"	198.113524	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-H"	-1.007276
"53738"	414.260871	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M-2H+NH4"	16.019271
"498404"	613.381671	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M-2H+NH4"	16.019271
"878640"	215.140071	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-2H+NH4"	16.019271
"41192"	419.216266	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M-2H+Na"	20.974666
"485129"	618.337066	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M-2H+Na"	20.974666
"856369"	220.095466	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-2H+Na"	20.974666
"1626995"	220.095466	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Na-2H"	20.974666
"103526"	216.101863	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M-H+Cl"	33.962126
"539080"	315.662263	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M-H+Cl"	33.962126
"932594"	116.541463	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-H+Cl"	33.962126
"272972"	433.211002	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+Cl"	34.969402
"669766"	632.331802	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+Cl"	34.969402
"1275611"	234.090202	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Cl"	34.969402
"21450"	435.190206	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M-2H+K"	36.948606
"458822"	634.311006	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M-2H+K"	36.948606
"837720"	236.069406	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-2H+K"	36.948606
"1560113"	236.069406	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+K-2H"	36.948606
"949088"	244.118994	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-H+HCOOH"	44.998194
"367304"	443.239801	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+HCOOH-H"	44.998201
"353375"	457.255451	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+Hac-H"	59.013851
"1497833"	258.134651	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Hac-H"	59.013851
"967562"	266.100951	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-H+NaCOOH"	66.980151
"112096"	234.090202	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+2Cl"	69.938804
"561865"	333.650602	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+2Cl"	69.938804
"1032121"	134.529802	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2Cl"	69.938804
"1252068"	278.039685	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Br"	78.918885
"1316702"	280.095672	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Cl+HCOOH"	80.974872
"1324357"	302.077629	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Cl+NaCOOH"	102.956829
"915417"	312.106386	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M-H+CF3COOH"	112.985586
"1303992"	348.083064	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Cl+CF3COOH"	148.962264
"1382322"	164.108124	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H-2H2O"	-35.012676
"1392163"	182.1181	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H-H2O"	-17.0027
"289665"	399.248876	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+H"	1.007276
"680992"	598.369676	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+H"	1.007276
"1357342"	200.128076	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H"	1.007276
"131324"	200.128076	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+2H"	2.014552
"578541"	299.688476	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+2H"	2.014552
"1048438"	100.567676	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2H"	2.014552
"210870"	133.754476	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+3H"	3.021828
"649701"	200.128076	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+3H"	3.021828
"1168188"	67.380876	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+3H"	3.021828
"427814"	416.275423	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+NH4"	18.033823
"787713"	615.396223	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+NH4"	18.033823
"1691349"	217.154623	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+NH4"	18.033823
"340720"	208.6413495	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+H+NH4"	19.041099
"733141"	308.2017495	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+H+NH4"	19.041099
"1486965"	109.0809495	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H+NH4"	19.041099
"400176"	421.230818	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+Na"	22.989218
"764450"	620.351618	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+Na"	22.989218
"1615834"	222.110018	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Na"	22.989218
"325506"	211.119047	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+H+Na"	23.996494
"719022"	310.679447	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+H+Na"	23.996494
"1471015"	111.558647	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H+Na"	23.996494
"1064262"	74.70819	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2H+Na"	25.00377
"1268127"	232.154286	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+CH3OH+H"	33.033486
"389615"	437.204758	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+K"	38.963158
"746599"	636.325558	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+K"	38.963158
"1550841"	238.083958	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+K"	38.963158
"305100"	219.106017	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+H+K"	39.970434
"694240"	318.666417	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+H+K"	39.970434
"1449880"	119.545617	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H+K"	39.970434
"236781"	440.275426	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+ACN+H"	42.033826
"1214468"	241.154626	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+ACN+H"	42.033826
"1198355"	121.080951	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+ACN+2H"	43.041102
"195601"	443.21276	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+2Na-H"	44.97116
"638442"	642.33356	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+2Na-H"	44.97116
"1137570"	244.09196	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2Na-H"	44.97116
"179774"	222.110018	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+2Na"	45.978436
"624439"	321.670418	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+2Na"	45.978436
"1123934"	122.549618	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2Na"	45.978436
"1406365"	82.035504	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H+2Na"	46.985712
"1444315"	246.133546	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H+HCOOH"	47.012746
"231456"	227.14304	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+3H2O+2H"	56.04448
"1516240"	260.18559	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+IsoProp+H"	61.06479
"414832"	230.096988	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+Na+K"	61.952376
"775824"	329.657388	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+Na+K"	61.952376
"1668874"	130.536588	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Na+K"	61.952376
"254667"	462.257368	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+ACN+Na"	64.015768
"1232477"	263.136568	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+ACN+Na"	64.015768
"1720276"	263.160093	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+NH4+HCOOH"	64.039293
"1181254"	89.362818	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+3Na"	68.967654
"1653335"	268.115488	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Na+HCOOH"	68.994688
"162384"	475.16064	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+2K-H"	76.91904
"603038"	674.28144	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+2K-H"	76.91904
"1090830"	276.03984	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2K-H"	76.91904
"143277"	238.083958	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"2M+2K"	77.926316
"583928"	337.644358	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"3M+2K"	77.926316
"1070624"	138.523558	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2K"	77.926316
"1110404"	278.054392	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2K+H"	78.933592
"1336458"	278.142007	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+DMSO+H"	79.021207
"1006685"	282.181176	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2ACN+H"	83.060376
"1526148"	283.174808	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+IsoProp+Na+H"	84.054008
"991259"	141.594226	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+2ACN+2H"	84.067652
"1595490"	284.089428	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+K+HCOOH"	84.968628
"1420061"	314.120938	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+H+CF3COOH"	115.000138
"1158007"	162.107501	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+3ACN+2H"	125.094202
"1708651"	331.147485	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+NH4+CF3COOH"	132.026685
"1645395"	336.10288	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+Na+CF3COOH"	136.98208
"1573392"	352.07682	"C12448"	"Ecgonine methyl ester;Methyl ecgonine"	"C10H17NO3"	"199.1208"	"M+K+CF3COOH"	152.95602
"802664"	185.1052	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M"	0
"978384"	166.08681	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-H2O-H"	-19.01839
"66625"	122.396190666667	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M-3H"	-3.021828
"509467"	184.097924	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M-3H"	-3.021828
"886176"	60.6944573333333	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-3H"	-3.021828
"3658"	184.097924	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M-2H"	-2.014552
"444311"	276.650524	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M-2H"	-2.014552
"819070"	91.545324	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-2H"	-2.014552
"79187"	369.203124	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M-H"	-1.007276
"529329"	554.308324	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M-H"	-1.007276
"904942"	184.097924	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-H"	-1.007276
"50568"	386.229671	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M-2H+NH4"	16.019271
"496327"	571.334871	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M-2H+NH4"	16.019271
"878386"	201.124471	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-2H+NH4"	16.019271
"40209"	391.185066	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M-2H+Na"	20.974666
"484147"	576.290266	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M-2H+Na"	20.974666
"859759"	206.079866	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-2H+Na"	20.974666
"1627105"	206.079866	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Na-2H"	20.974666
"100356"	202.086263	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M-H+Cl"	33.962126
"542106"	294.638863	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M-H+Cl"	33.962126
"932340"	109.533663	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-H+Cl"	33.962126
"270167"	405.179802	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+Cl"	34.969402
"666597"	590.285002	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+Cl"	34.969402
"1275722"	220.074602	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Cl"	34.969402
"22654"	407.159006	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M-2H+K"	36.948606
"458933"	592.264206	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M-2H+K"	36.948606
"837831"	222.053806	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-2H+K"	36.948606
"1560223"	222.053806	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+K-2H"	36.948606
"948105"	230.103394	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-H+HCOOH"	44.998194
"363040"	415.208601	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+HCOOH-H"	44.998201
"353485"	429.224251	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+Hac-H"	59.013851
"1496849"	244.119051	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Hac-H"	59.013851
"967672"	252.085351	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-H+NaCOOH"	66.980151
"111113"	220.074602	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+2Cl"	69.938804
"561246"	312.627202	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+2Cl"	69.938804
"1032231"	127.522002	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2Cl"	69.938804
"1251085"	264.024085	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Br"	78.918885
"1315719"	266.080072	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Cl+HCOOH"	80.974872
"1328842"	288.062029	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Cl+NaCOOH"	102.956829
"917714"	298.090786	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M-H+CF3COOH"	112.985586
"1302084"	334.067464	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Cl+CF3COOH"	148.962264
"1375871"	150.092524	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H-2H2O"	-35.012676
"1390086"	168.1025	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H-H2O"	-17.0027
"289775"	371.217676	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+H"	1.007276
"680009"	556.322876	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+H"	1.007276
"1356359"	186.112476	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H"	1.007276
"127060"	186.112476	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+2H"	2.014552
"575371"	278.665076	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+2H"	2.014552
"1046362"	93.559876	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2H"	2.014552
"210980"	124.410742666667	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+3H"	3.021828
"647623"	186.112476	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+3H"	3.021828
"1166111"	62.7090093333333	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+3H"	3.021828
"426831"	388.244223	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+NH4"	18.033823
"787459"	573.349423	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+NH4"	18.033823
"1691459"	203.139023	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+NH4"	18.033823
"340830"	194.6257495	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+H+NH4"	19.041099
"732158"	287.1783495	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+H+NH4"	19.041099
"1487075"	102.0731495	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H+NH4"	19.041099
"398100"	393.199618	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+Na"	22.989218
"761281"	578.304818	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+Na"	22.989218
"1613757"	208.094418	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Na"	22.989218
"320512"	197.103447	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+H+Na"	23.996494
"719496"	289.656047	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+H+Na"	23.996494
"1467846"	104.550847	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H+Na"	23.996494
"1061092"	70.0363233333333	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2H+Na"	25.00377
"1265322"	218.138686	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+CH3OH+H"	33.033486
"388997"	409.173558	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+K"	38.963158
"745616"	594.278758	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+K"	38.963158
"1549858"	224.068358	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+K"	38.963158
"303754"	205.090417	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+H+K"	39.970434
"696173"	297.643017	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+H+K"	39.970434
"1448896"	112.537817	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H+K"	39.970434
"237499"	412.244226	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+ACN+H"	42.033826
"1213485"	227.139026	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+ACN+H"	42.033826
"1196279"	114.073151	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+ACN+2H"	43.041102
"195711"	415.18156	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+2Na-H"	44.97116
"636366"	600.28676	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+2Na-H"	44.97116
"1138773"	230.07636	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2Na-H"	44.97116
"178791"	208.094418	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+2Na"	45.978436
"623820"	300.647018	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+2Na"	45.978436
"1121858"	115.541818	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2Na"	45.978436
"1404289"	77.3636373333333	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H+2Na"	46.985712
"1444425"	232.117946	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H+HCOOH"	47.012746
"232661"	213.12744	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+3H2O+2H"	56.04448
"1517444"	246.16999	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+IsoProp+H"	61.06479
"414943"	216.081388	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+Na+K"	61.952376
"773748"	308.633988	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+Na+K"	61.952376
"1670078"	123.528788	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Na+K"	61.952376
"253320"	434.226168	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+ACN+Na"	64.015768
"1234774"	249.120968	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+ACN+Na"	64.015768
"1724760"	249.144493	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+NH4+HCOOH"	64.039293
"1181365"	84.6909513333333	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+3Na"	68.967654
"1655632"	254.099888	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Na+HCOOH"	68.994688
"162492"	447.12944	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+2K-H"	76.91904
"600957"	632.23464	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+2K-H"	76.91904
"1090938"	262.02424	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2K-H"	76.91904
"143388"	224.068358	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"2M+2K"	77.926316
"582336"	316.620958	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"3M+2K"	77.926316
"1069886"	131.515758	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2K"	77.926316
"1107234"	264.038792	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2K+H"	78.933592
"1336568"	264.126407	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+DMSO+H"	79.021207
"1005795"	268.165576	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2ACN+H"	83.060376
"1524556"	269.159208	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+IsoProp+Na+H"	84.054008
"991492"	134.586426	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+2ACN+2H"	84.067652
"1596697"	270.073828	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+K+HCOOH"	84.968628
"1421264"	300.105338	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+H+CF3COOH"	115.000138
"1158117"	155.099701	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+3ACN+2H"	125.094202
"1707668"	317.131885	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+NH4+CF3COOH"	132.026685
"1640038"	322.08728	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+Na+CF3COOH"	136.98208
"1573502"	338.06122	"C12449"	"Pseudoecgonine"	"C9H15NO3"	"185.1052"	"M+K+CF3COOH"	152.95602
"803501"	934.2098	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M"	0
"976306"	915.19141	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-H2O-H"	-19.01839
"65642"	621.799257333333	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M-3H"	-3.021828
"510670"	933.202524	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M-3H"	-3.021828
"883004"	310.395990666667	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-3H"	-3.021828
"3768"	933.202524	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M-2H"	-2.014552
"442234"	1400.307424	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M-2H"	-2.014552
"821489"	466.097624	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-2H"	-2.014552
"81120"	1867.412324	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M-H"	-1.007276
"530532"	2801.622124	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M-H"	-1.007276
"905782"	933.202524	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-H"	-1.007276
"51042"	1884.438871	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M-2H+NH4"	16.019271
"495708"	2818.648671	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M-2H+NH4"	16.019271
"877403"	950.229071	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-2H+NH4"	16.019271
"41412"	1889.394266	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M-2H+Na"	20.974666
"484257"	2823.604066	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M-2H+Na"	20.974666
"859869"	955.184466	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-2H+Na"	20.974666
"1627215"	955.184466	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Na-2H"	20.974666
"103746"	951.190863	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M-H+Cl"	33.962126
"542216"	1418.295763	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M-H+Cl"	33.962126
"934637"	484.085963	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-H+Cl"	33.962126
"274287"	1903.389002	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+Cl"	34.969402
"666707"	2837.598802	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+Cl"	34.969402
"1274736"	969.179202	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Cl"	34.969402
"18754"	1905.368206	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M-2H+K"	36.948606
"457945"	2839.578006	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M-2H+K"	36.948606
"836847"	971.158406	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-2H+K"	36.948606
"1559239"	971.158406	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+K-2H"	36.948606
"943113"	979.207994	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-H+HCOOH"	44.998194
"362783"	1913.417801	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+HCOOH-H"	44.998201
"349221"	1927.433451	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+Hac-H"	59.013851
"1494043"	993.223651	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Hac-H"	59.013851
"965595"	1001.189951	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-H+NaCOOH"	66.980151
"116689"	969.179202	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+2Cl"	69.938804
"563179"	1436.284102	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+2Cl"	69.938804
"1031612"	502.074302	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2Cl"	69.938804
"1251195"	1013.128685	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Br"	78.918885
"1312549"	1015.184672	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Cl+HCOOH"	80.974872
"1327858"	1037.166629	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Cl+NaCOOH"	102.956829
"915637"	1047.195386	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M-H+CF3COOH"	112.985586
"1300007"	1083.172064	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Cl+CF3COOH"	148.962264
"1369421"	899.197124	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H-2H2O"	-35.012676
"1389104"	917.2071	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H-H2O"	-17.0027
"285510"	1869.426876	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+H"	1.007276
"680119"	2803.636676	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+H"	1.007276
"1354279"	935.217076	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H"	1.007276
"128628"	935.217076	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+2H"	2.014552
"572201"	1402.321976	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+2H"	2.014552
"1044284"	468.112176	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2H"	2.014552
"211090"	623.813809333333	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+3H"	3.021828
"647369"	935.217076	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+3H"	3.021828
"1165857"	312.410542666667	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+3H"	3.021828
"427305"	1886.453423	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+NH4"	18.033823
"786840"	2820.663223	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+NH4"	18.033823
"1694849"	952.243623	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+NH4"	18.033823
"340938"	943.7303495	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+H+NH4"	19.041099
"727891"	1410.8352495	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+H+NH4"	19.041099
"1487182"	476.6254495	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H+NH4"	19.041099
"400396"	1891.408818	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+Na"	22.989218
"763576"	2825.618618	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+Na"	22.989218
"1612773"	957.199018	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Na"	22.989218
"320621"	946.208047	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+H+Na"	23.996494
"715961"	1413.312947	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+H+Na"	23.996494
"1471235"	479.103147	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H+Na"	23.996494
"1062295"	319.737856666667	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2H+Na"	25.00377
"1266156"	967.243286	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+CH3OH+H"	33.033486
"388378"	1907.382758	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+K"	38.963158
"743539"	2841.592558	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+K"	38.963158
"1547781"	973.172958	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+K"	38.963158
"305321"	954.195017	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+H+K"	39.970434
"696283"	1421.299917	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+H+K"	39.970434
"1448277"	487.090117	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H+K"	39.970434
"238703"	1910.453426	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+ACN+H"	42.033826
"1212138"	976.243626	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+ACN+H"	42.033826
"1196024"	488.625451	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+ACN+2H"	43.041102
"198008"	1913.39076	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+2Na-H"	44.97116
"636476"	2847.60056	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+2Na-H"	44.97116
"1137790"	979.18096	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2Na-H"	44.97116
"179994"	957.199018	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+2Na"	45.978436
"623930"	1424.303918	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+2Na"	45.978436
"1123061"	490.094118	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2Na"	45.978436
"1406585"	327.065170666667	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H+2Na"	46.985712
"1437606"	981.222546	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H+HCOOH"	47.012746
"227303"	962.23204	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+3H2O+2H"	56.04448
"1518647"	995.27459	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+IsoProp+H"	61.06479
"415052"	965.185988	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+Na+K"	61.952376
"778233"	1432.290888	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+Na+K"	61.952376
"1677843"	498.081088	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Na+K"	61.952376
"258897"	1932.435368	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+ACN+Na"	64.015768
"1240353"	998.225568	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+ACN+Na"	64.015768
"1718309"	998.249093	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+NH4+HCOOH"	64.039293
"1184754"	334.392484666667	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+3Na"	68.967654
"1657927"	1003.204488	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Na+HCOOH"	68.994688
"168069"	1945.33864	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+2K-H"	76.91904
"603254"	2879.54844	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+2K-H"	76.91904
"1094327"	1011.12884	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2K-H"	76.91904
"146773"	973.172958	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"2M+2K"	77.926316
"585241"	1440.277858	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"3M+2K"	77.926316
"1069995"	506.068058	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2K"	77.926316
"1102963"	1013.143392	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2K+H"	78.933592
"1336065"	1013.231007	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+DMSO+H"	79.021207
"1006660"	1017.270176	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2ACN+H"	83.060376
"1525029"	1018.263808	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+IsoProp+Na+H"	84.054008
"996826"	509.138726	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+2ACN+2H"	84.067652
"1594617"	1019.178428	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+K+HCOOH"	84.968628
"1421374"	1049.209938	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+H+CF3COOH"	115.000138
"1158227"	529.652001	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+3ACN+2H"	125.094202
"1707778"	1066.236485	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+NH4+CF3COOH"	132.026685
"1640148"	1071.19188	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+Na+CF3COOH"	136.98208
"1573612"	1087.16582	"C12450"	"Pseudoecgonyl-CoA"	"C30H49N8O18P3S"	"934.2098"	"M+K+CF3COOH"	152.95602
"806163"	356.0896	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M"	0
"978604"	337.07121	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-H2O-H"	-19.01839
"69033"	236.385790666667	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M-3H"	-3.021828
"514060"	355.082324	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M-3H"	-3.021828
"888582"	117.689257333333	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-3H"	-3.021828
"13355"	355.082324	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M-2H"	-2.014552
"442344"	533.127124	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M-2H"	-2.014552
"820507"	177.037524	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-2H"	-2.014552
"82323"	711.171924	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M-H"	-1.007276
"528456"	1067.261524	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M-H"	-1.007276
"908444"	355.082324	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-H"	-1.007276
"52976"	728.198471	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M-2H+NH4"	16.019271
"495818"	1084.288071	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M-2H+NH4"	16.019271
"876784"	372.108871	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-2H+NH4"	16.019271
"44681"	733.153866	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M-2H+Na"	20.974666
"483275"	1089.243466	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M-2H+Na"	20.974666
"862166"	377.064266	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-2H+Na"	20.974666
"1627325"	377.064266	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Na-2H"	20.974666
"106043"	373.070663	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M-H+Cl"	33.962126
"541229"	551.115463	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M-H+Cl"	33.962126
"933654"	195.025863	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-H+Cl"	33.962126
"274397"	747.148602	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+Cl"	34.969402
"669004"	1103.238202	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+Cl"	34.969402
"1274846"	391.059002	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Cl"	34.969402
"20688"	749.127806	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M-2H+K"	36.948606
"459153"	1105.217406	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M-2H+K"	36.948606
"839145"	393.038206	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-2H+K"	36.948606
"1561536"	393.038206	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+K-2H"	36.948606
"948326"	401.087794	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-H+HCOOH"	44.998194
"362206"	757.177401	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+HCOOH-H"	44.998201
"348238"	771.193051	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+Hac-H"	59.013851
"1501444"	415.103451	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Hac-H"	59.013851
"966800"	423.069751	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-H+NaCOOH"	66.980151
"114613"	391.059002	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+2Cl"	69.938804
"562926"	569.103802	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+2Cl"	69.938804
"1032451"	213.014202	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2Cl"	69.938804
"1255561"	435.008485	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Br"	78.918885
"1313752"	437.064472	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Cl+HCOOH"	80.974872
"1330155"	459.046429	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Cl+NaCOOH"	102.956829
"920121"	469.075186	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M-H+CF3COOH"	112.985586
"1299023"	505.051864	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Cl+CF3COOH"	148.962264
"1367298"	321.076924	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H-2H2O"	-35.012676
"1385933"	339.0869	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H-H2O"	-17.0027
"283794"	713.186476	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+H"	1.007276
"676941"	1069.276076	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+H"	1.007276
"1353296"	357.096876	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H"	1.007276
"127280"	357.096876	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+2H"	2.014552
"572311"	535.141676	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+2H"	2.014552
"1041112"	179.052076	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2H"	2.014552
"210108"	238.400342666667	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+3H"	3.021828
"646383"	357.096876	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+3H"	3.021828
"1164874"	119.703809333333	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+3H"	3.021828
"425957"	730.213023	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+NH4"	18.033823
"787067"	1086.302623	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+NH4"	18.033823
"1694957"	374.123423	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+NH4"	18.033823
"337766"	365.6101495	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+H+NH4"	19.041099
"728001"	543.6549495	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+H+NH4"	19.041099
"1487292"	187.5653495	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H+NH4"	19.041099
"401599"	735.168418	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+Na"	22.989218
"764779"	1091.258018	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+Na"	22.989218
"1613612"	379.078818	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Na"	22.989218
"324010"	368.087847	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+H+Na"	23.996494
"716800"	546.132647	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+H+Na"	23.996494
"1471710"	190.043047	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H+Na"	23.996494
"1062770"	127.031123333333	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2H+Na"	25.00377
"1266266"	389.123086	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+CH3OH+H"	33.033486
"390310"	751.142358	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+K"	38.963158
"745836"	1107.231958	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+K"	38.963158
"1547891"	395.052758	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+K"	38.963158
"308347"	376.074817	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+H+K"	39.970434
"698579"	554.119617	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+H+K"	39.970434
"1449115"	198.030017	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H+K"	39.970434
"238813"	754.213026	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+ACN+H"	42.033826
"1215163"	398.123426	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+ACN+H"	42.033826
"1198321"	199.565351	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+ACN+2H"	43.041102
"197025"	757.15036	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+2Na-H"	44.97116
"633306"	1113.23996	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+2Na-H"	44.97116
"1138993"	401.06076	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2Na-H"	44.97116
"177918"	379.078818	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+2Na"	45.978436
"627199"	557.123618	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+2Na"	45.978436
"1128638"	201.034018	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2Na"	45.978436
"1408882"	134.358437333333	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H+2Na"	46.985712
"1440996"	403.102346	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H+HCOOH"	47.012746
"230694"	384.11184	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+3H2O+2H"	56.04448
"1520945"	417.15439	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+IsoProp+H"	61.06479
"421723"	387.065788	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+Na+K"	61.952376
"782717"	565.110588	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+Na+K"	61.952376
"1679049"	209.020988	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Na+K"	61.952376
"261194"	776.194968	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+ACN+Na"	64.015768
"1240105"	420.105368	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+ACN+Na"	64.015768
"1719511"	420.128893	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+NH4+HCOOH"	64.039293
"1187051"	141.685751333333	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+3Na"	68.967654
"1659131"	425.084288	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Na+HCOOH"	68.994688
"167087"	789.09824	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+2K-H"	76.91904
"610656"	1145.18784	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+2K-H"	76.91904
"1096625"	433.00864	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2K-H"	76.91904
"145426"	395.052758	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"2M+2K"	77.926316
"585715"	573.097558	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"3M+2K"	77.926316
"1070959"	217.007958	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2K"	77.926316
"1103073"	435.023192	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2K+H"	78.933592
"1337395"	435.110807	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+DMSO+H"	79.021207
"1007988"	439.149976	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2ACN+H"	83.060376
"1527208"	440.143608	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+IsoProp+Na+H"	84.054008
"994750"	220.078626	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+2ACN+2H"	84.067652
"1588529"	441.058228	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+K+HCOOH"	84.968628
"1419297"	471.089738	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+H+CF3COOH"	115.000138
"1152868"	240.591901	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+3ACN+2H"	125.094202
"1704607"	488.116285	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+NH4+CF3COOH"	132.026685
"1640258"	493.07168	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+Na+CF3COOH"	136.98208
"1573722"	509.04562	"C12451"	"Fridamycin E"	"C19H16O7"	"356.0896"	"M+K+CF3COOH"	152.95602
"808461"	183.1259	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M"	0
"981994"	164.10751	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-H2O-H"	-19.01839
"70236"	121.076657333333	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M-3H"	-3.021828
"510889"	182.118624	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M-3H"	-3.021828
"889784"	60.0346906666667	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-3H"	-3.021828
"5078"	182.118624	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M-2H"	-2.014552
"444635"	273.681574	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M-2H"	-2.014552
"826811"	90.555674	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-2H"	-2.014552
"90084"	365.244524	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M-H"	-1.007276
"530752"	548.370424	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M-H"	-1.007276
"907460"	182.118624	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-H"	-1.007276
"57460"	382.271071	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M-2H+NH4"	16.019271
"498114"	565.396971	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M-2H+NH4"	16.019271
"879245"	199.145171	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-2H+NH4"	16.019271
"41632"	387.226466	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M-2H+Na"	20.974666
"476818"	570.352366	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M-2H+Na"	20.974666
"853891"	204.100566	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-2H+Na"	20.974666
"1624155"	204.100566	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Na-2H"	20.974666
"103966"	200.106963	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M-H+Cl"	33.962126
"541339"	291.669913	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M-H+Cl"	33.962126
"934858"	108.544013	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-H+Cl"	33.962126
"275600"	401.221202	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+Cl"	34.969402
"673488"	584.347102	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+Cl"	34.969402
"1274592"	218.095302	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Cl"	34.969402
"19704"	403.200406	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M-2H+K"	36.948606
"457560"	586.326306	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M-2H+K"	36.948606
"840348"	220.074506	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-2H+K"	36.948606
"1562741"	220.074506	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+K-2H"	36.948606
"949530"	228.124094	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-H+HCOOH"	44.998194
"369932"	411.250001	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+HCOOH-H"	44.998201
"359283"	425.265651	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+Hac-H"	59.013851
"1499366"	242.139751	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Hac-H"	59.013851
"970190"	250.106051	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-H+NaCOOH"	66.980151
"116910"	218.095302	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+2Cl"	69.938804
"564373"	309.658252	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+2Cl"	69.938804
"1034748"	126.532352	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2Cl"	69.938804
"1253605"	262.044785	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Br"	78.918885
"1317509"	264.100772	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Cl+HCOOH"	80.974872
"1335334"	286.082729	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Cl+NaCOOH"	102.956829
"925943"	296.111486	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M-H+CF3COOH"	112.985586
"1301318"	332.088164	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Cl+CF3COOH"	148.962264
"1369640"	148.113224	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H-2H2O"	-35.012676
"1389323"	166.1232	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H-H2O"	-17.0027
"283093"	367.259076	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+H"	1.007276
"677781"	550.384976	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+H"	1.007276
"1351705"	184.133176	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H"	1.007276
"127511"	184.133176	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+2H"	2.014552
"570598"	275.696126	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+2H"	2.014552
"1039763"	92.570226	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2H"	2.014552
"207301"	123.091209333333	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+3H"	3.021828
"646490"	184.133176	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+3H"	3.021828
"1166077"	62.0492426666667	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+3H"	3.021828
"427523"	384.285623	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+NH4"	18.033823
"788151"	567.411523	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+NH4"	18.033823
"1695067"	201.159723	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+NH4"	18.033823
"338969"	192.6464495	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+H+NH4"	19.041099
"729204"	284.2093995	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+H+NH4"	19.041099
"1489588"	101.0834995	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H+NH4"	19.041099
"402802"	389.241018	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+Na"	22.989218
"765982"	572.366918	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+Na"	22.989218
"1614086"	206.115118	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Na"	22.989218
"325213"	195.124147	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+H+Na"	23.996494
"720553"	286.687097	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+H+Na"	23.996494
"1472548"	103.561197	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H+Na"	23.996494
"1067942"	69.3765566666667	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2H+Na"	25.00377
"1266376"	216.159386	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+CH3OH+H"	33.033486
"389690"	405.214958	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+K"	38.963158
"745946"	588.340858	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+K"	38.963158
"1545813"	222.089058	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+K"	38.963158
"305174"	203.111117	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+H+K"	39.970434
"694315"	294.674067	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+H+K"	39.970434
"1449226"	111.548167	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H+K"	39.970434
"240016"	408.285626	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+ACN+H"	42.033826
"1217095"	225.159726	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+ACN+H"	42.033826
"1199890"	113.083501	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+ACN+2H"	43.041102
"197135"	411.22296	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+2Na-H"	44.97116
"634506"	594.34886	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+2Na-H"	44.97116
"1140196"	228.09706	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2Na-H"	44.97116
"180214"	206.115118	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+2Na"	45.978436
"617222"	297.678068	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+2Na"	45.978436
"1123280"	114.552168	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2Na"	45.978436
"1406804"	76.7038706666667	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H+2Na"	46.985712
"1435639"	230.138646	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H+HCOOH"	47.012746
"232990"	211.14814	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+3H2O+2H"	56.04448
"1521056"	244.19069	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+IsoProp+H"	61.06479
"423175"	214.102088	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+Na+K"	61.952376
"782828"	305.665038	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+Na+K"	61.952376
"1678066"	122.539138	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Na+K"	61.952376
"263493"	430.267568	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+ACN+Na"	64.015768
"1239480"	247.141668	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+ACN+Na"	64.015768
"1720715"	247.165193	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+NH4+HCOOH"	64.039293
"1186067"	84.0311846666667	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+3Na"	68.967654
"1661427"	252.120588	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Na+HCOOH"	68.994688
"170477"	443.17084	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+2K-H"	76.91904
"610036"	626.29674	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+2K-H"	76.91904
"1096736"	260.04494	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2K-H"	76.91904
"146994"	222.089058	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"2M+2K"	77.926316
"585826"	313.652008	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"3M+2K"	77.926316
"1071068"	130.526108	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2K"	77.926316
"1103185"	262.059492	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2K+H"	78.933592
"1339568"	262.147107	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+DMSO+H"	79.021207
"1007126"	266.186276	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2ACN+H"	83.060376
"1527318"	267.179908	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+IsoProp+Na+H"	84.054008
"991577"	133.596776	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+2ACN+2H"	84.067652
"1589731"	268.094528	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+K+HCOOH"	84.968628
"1419407"	298.126038	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+H+CF3COOH"	115.000138
"1152978"	154.110051	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+3ACN+2H"	125.094202
"1704717"	315.152585	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+NH4+CF3COOH"	132.026685
"1639275"	320.10798	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+Na+CF3COOH"	136.98208
"1572739"	336.08192	"C12452"	"Acetyltropine;3-Acetyltropine"	"C10H17NO2"	"183.1259"	"M+K+CF3COOH"	152.95602
"808572"	183.1259	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M"	0
"975544"	164.10751	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-H2O-H"	-19.01839
"70346"	121.076657333333	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M-3H"	-3.021828
"512092"	182.118624	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M-3H"	-3.021828
"889894"	60.0346906666667	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-3H"	-3.021828
"5188"	182.118624	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M-2H"	-2.014552
"440372"	273.681574	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M-2H"	-2.014552
"822549"	90.555674	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-2H"	-2.014552
"88006"	365.244524	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M-H"	-1.007276
"528676"	548.370424	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M-H"	-1.007276
"907571"	182.118624	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-H"	-1.007276
"58663"	382.271071	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M-2H+NH4"	16.019271
"496038"	565.396971	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M-2H+NH4"	16.019271
"877854"	199.145171	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-2H+NH4"	16.019271
"41742"	387.226466	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M-2H+Na"	20.974666
"476199"	570.352366	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M-2H+Na"	20.974666
"856917"	204.100566	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-2H+Na"	20.974666
"1627543"	204.100566	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Na-2H"	20.974666
"104076"	200.106963	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M-H+Cl"	33.962126
"542542"	291.669913	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M-H+Cl"	33.962126
"933868"	108.544013	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-H+Cl"	33.962126
"278990"	401.221202	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+Cl"	34.969402
"672504"	584.347102	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+Cl"	34.969402
"1276162"	218.095302	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Cl"	34.969402
"20905"	403.200406	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M-2H+K"	36.948606
"462652"	586.326306	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M-2H+K"	36.948606
"836083"	220.074506	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-2H+K"	36.948606
"1560663"	220.074506	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+K-2H"	36.948606
"946360"	228.124094	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-H+HCOOH"	44.998194
"370042"	411.250001	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+HCOOH-H"	44.998201
"358300"	425.265651	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+Hac-H"	59.013851
"1497289"	242.139751	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Hac-H"	59.013851
"971395"	250.106051	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-H+NaCOOH"	66.980151
"115927"	218.095302	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+2Cl"	69.938804
"564602"	309.658252	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+2Cl"	69.938804
"1033035"	126.532352	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2Cl"	69.938804
"1252624"	262.044785	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Br"	78.918885
"1317258"	264.100772	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Cl+HCOOH"	80.974872
"1334393"	286.082729	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Cl+NaCOOH"	102.956829
"925810"	296.111486	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M-H+CF3COOH"	112.985586
"1297056"	332.088164	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Cl+CF3COOH"	148.962264
"1369750"	148.113224	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H-2H2O"	-35.012676
"1389433"	166.1232	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H-H2O"	-17.0027
"283007"	367.259076	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+H"	1.007276
"678255"	550.384976	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+H"	1.007276
"1352058"	184.133176	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H"	1.007276
"127135"	184.133176	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+2H"	2.014552
"567787"	275.696126	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+2H"	2.014552
"1039871"	92.570226	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2H"	2.014552
"205579"	123.091209333333	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+3H"	3.021828
"646232"	184.133176	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+3H"	3.021828
"1165449"	62.0492426666667	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+3H"	3.021828
"426535"	384.285623	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+NH4"	18.033823
"788258"	567.411523	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+NH4"	18.033823
"1692991"	201.159723	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+NH4"	18.033823
"336893"	192.6464495	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+H+NH4"	19.041099
"728221"	284.2093995	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+H+NH4"	19.041099
"1487512"	101.0834995	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H+NH4"	19.041099
"402912"	389.241018	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+Na"	22.989218
"764999"	572.366918	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+Na"	22.989218
"1614196"	206.115118	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Na"	22.989218
"323137"	195.124147	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+H+Na"	23.996494
"721026"	286.687097	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+H+Na"	23.996494
"1472658"	103.561197	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H+Na"	23.996494
"1066998"	69.3765566666667	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2H+Na"	25.00377
"1266486"	216.159386	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+CH3OH+H"	33.033486
"389800"	405.214958	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+K"	38.963158
"746056"	588.340858	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+K"	38.963158
"1545923"	222.089058	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+K"	38.963158
"304191"	203.111117	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+H+K"	39.970434
"694425"	294.674067	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+H+K"	39.970434
"1448607"	111.548167	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H+K"	39.970434
"242312"	408.285626	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+ACN+H"	42.033826
"1216111"	225.159726	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+ACN+H"	42.033826
"1200000"	113.083501	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+ACN+2H"	43.041102
"196152"	411.22296	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+2Na-H"	44.97116
"634981"	594.34886	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+2Na-H"	44.97116
"1139941"	228.09706	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2Na-H"	44.97116
"180324"	206.115118	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+2Na"	45.978436
"626445"	297.678068	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+2Na"	45.978436
"1123390"	114.552168	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2Na"	45.978436
"1409101"	76.7038706666667	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H+2Na"	46.985712
"1440124"	230.138646	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H+HCOOH"	47.012746
"223257"	211.14814	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+3H2O+2H"	56.04448
"1521166"	244.19069	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+IsoProp+H"	61.06479
"423892"	214.102088	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+Na+K"	61.952376
"783790"	305.665038	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+Na+K"	61.952376
"1678176"	122.539138	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Na+K"	61.952376
"265305"	430.267568	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+ACN+Na"	64.015768
"1240202"	247.141668	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+ACN+Na"	64.015768
"1721918"	247.165193	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+NH4+HCOOH"	64.039293
"1188364"	84.0311846666667	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+3Na"	68.967654
"1663361"	252.120588	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Na+HCOOH"	68.994688
"169495"	443.17084	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+2K-H"	76.91904
"609054"	626.29674	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+2K-H"	76.91904
"1097698"	260.04494	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2K-H"	76.91904
"146011"	222.089058	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"2M+2K"	77.926316
"586665"	313.652008	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"3M+2K"	77.926316
"1071178"	130.526108	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2K"	77.926316
"1103295"	262.059492	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2K+H"	78.933592
"1336640"	262.147107	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+DMSO+H"	79.021207
"1009304"	266.186276	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2ACN+H"	83.060376
"1527429"	267.179908	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+IsoProp+Na+H"	84.054008
"990224"	133.596776	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+2ACN+2H"	84.067652
"1589477"	268.094528	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+K+HCOOH"	84.968628
"1417331"	298.126038	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+H+CF3COOH"	115.000138
"1149809"	154.110051	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+3ACN+2H"	125.094202
"1705922"	315.152585	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+NH4+CF3COOH"	132.026685
"1637199"	320.10798	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+Na+CF3COOH"	136.98208
"1571756"	336.08192	"C12453"	"Acetylpseudotropine"	"C10H17NO2"	"183.1259"	"M+K+CF3COOH"	152.95602
"808682"	239.1422	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M"	0
"978934"	220.12381	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-H2O-H"	-19.01839
"71549"	158.420857333333	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M-3H"	-3.021828
"512202"	238.134924	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M-3H"	-3.021828
"890004"	78.7067906666667	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-3H"	-3.021828
"5298"	238.134924	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M-2H"	-2.014552
"445950"	357.706024	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M-2H"	-2.014552
"825940"	118.563824	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-2H"	-2.014552
"88117"	477.277124	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M-H"	-1.007276
"532066"	716.419324	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M-H"	-1.007276
"909868"	238.134924	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-H"	-1.007276
"58773"	494.303671	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M-2H+NH4"	16.019271
"496148"	733.445871	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M-2H+NH4"	16.019271
"873952"	255.161471	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-2H+NH4"	16.019271
"34196"	499.259066	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M-2H+Na"	20.974666
"473756"	738.401266	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M-2H+Na"	20.974666
"852287"	260.116866	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-2H+Na"	20.974666
"1621455"	260.116866	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Na-2H"	20.974666
"100905"	256.123263	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M-H+Cl"	33.962126
"542651"	375.694363	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M-H+Cl"	33.962126
"933978"	136.552163	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-H+Cl"	33.962126
"275815"	513.253802	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+Cl"	34.969402
"669334"	752.396002	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+Cl"	34.969402
"1280646"	274.111602	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Cl"	34.969402
"21015"	515.233006	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M-2H+K"	36.948606
"467135"	754.375206	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M-2H+K"	36.948606
"841660"	276.090806	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-2H+K"	36.948606
"1565147"	276.090806	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+K-2H"	36.948606
"953030"	284.140394	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-H+HCOOH"	44.998194
"372339"	523.282601	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+HCOOH-H"	44.998201
"355128"	537.298251	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+Hac-H"	59.013851
"1498492"	298.156051	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Hac-H"	59.013851
"968223"	306.122351	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-H+NaCOOH"	66.980151
"118223"	274.111602	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+2Cl"	69.938804
"565604"	393.682702	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+2Cl"	69.938804
"1033145"	154.540502	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2Cl"	69.938804
"1253819"	318.061085	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Br"	78.918885
"1316276"	320.117072	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Cl+HCOOH"	80.974872
"1334135"	342.099029	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Cl+NaCOOH"	102.956829
"925556"	352.127786	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M-H+CF3COOH"	112.985586
"1297166"	388.104464	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Cl+CF3COOH"	148.962264
"1379700"	204.129524	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H-2H2O"	-35.012676
"1391731"	222.1395	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H-H2O"	-17.0027
"283762"	479.291676	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+H"	1.007276
"676546"	718.433876	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+H"	1.007276
"1353986"	240.149476	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H"	1.007276
"129790"	240.149476	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+2H"	2.014552
"571540"	359.720576	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+2H"	2.014552
"1040347"	120.578376	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2H"	2.014552
"206053"	160.435409333333	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+3H"	3.021828
"646342"	240.149476	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+3H"	3.021828
"1165561"	80.7213426666667	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+3H"	3.021828
"427010"	496.318223	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+NH4"	18.033823
"787275"	735.460423	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+NH4"	18.033823
"1693101"	257.176023	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+NH4"	18.033823
"334816"	248.6627495	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+H+NH4"	19.041099
"725048"	368.2338495	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+H+NH4"	19.041099
"1483244"	129.0916495	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H+NH4"	19.041099
"400830"	501.273618	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+Na"	22.989218
"760731"	740.415818	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+Na"	22.989218
"1612111"	262.131418	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Na"	22.989218
"315586"	251.140447	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+H+Na"	23.996494
"708362"	370.711547	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+H+Na"	23.996494
"1463164"	131.569347	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H+Na"	23.996494
"1064921"	88.0486566666667	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2H+Na"	25.00377
"1266232"	272.175686	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+CH3OH+H"	33.033486
"386994"	517.247558	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+K"	38.963158
"742886"	756.389758	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+K"	38.963158
"1551501"	278.105358	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+K"	38.963158
"302114"	259.127417	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+H+K"	39.970434
"697816"	378.698517	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+H+K"	39.970434
"1452729"	139.556317	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H+K"	39.970434
"240236"	520.318226	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+ACN+H"	42.033826
"1217315"	281.176026	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+ACN+H"	42.033826
"1199017"	141.091651	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+ACN+2H"	43.041102
"194075"	523.25556	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+2Na-H"	44.97116
"634727"	762.39776	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+2Na-H"	44.97116
"1138594"	284.11336	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2Na-H"	44.97116
"180434"	262.131418	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+2Na"	45.978436
"626434"	381.702518	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+2Na"	45.978436
"1125687"	142.560318	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2Na"	45.978436
"1410304"	95.3759706666667	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H+2Na"	46.985712
"1442300"	286.154946	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H+HCOOH"	47.012746
"223731"	267.16444	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+3H2O+2H"	56.04448
"1522374"	300.20699	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+IsoProp+H"	61.06479
"422788"	270.118388	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+Na+K"	61.952376
"784020"	389.689488	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+Na+K"	61.952376
"1677192"	150.547288	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Na+K"	61.952376
"264442"	542.300168	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+ACN+Na"	64.015768
"1238976"	303.157968	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+ACN+Na"	64.015768
"1722759"	303.181493	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+NH4+HCOOH"	64.039293
"1189937"	102.703284666667	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+3Na"	68.967654
"1662746"	308.136888	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Na+HCOOH"	68.994688
"168149"	555.20344	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+2K-H"	76.91904
"609530"	794.34564	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+2K-H"	76.91904
"1098782"	316.06124	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2K-H"	76.91904
"147217"	278.105358	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"2M+2K"	77.926316
"588965"	397.676458	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"3M+2K"	77.926316
"1073475"	158.534258	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2K"	77.926316
"1105593"	318.075792	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2K+H"	78.933592
"1341975"	318.163407	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+DMSO+H"	79.021207
"1012693"	322.202576	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2ACN+H"	83.060376
"1527537"	323.196208	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+IsoProp+Na+H"	84.054008
"995079"	161.604926	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+2ACN+2H"	84.067652
"1590680"	324.110828	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+K+HCOOH"	84.968628
"1415983"	354.142338	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+H+CF3COOH"	115.000138
"1152107"	182.118201	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+3ACN+2H"	125.094202
"1709312"	371.168885	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+NH4+CF3COOH"	132.026685
"1640589"	376.12428	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+Na+CF3COOH"	136.98208
"1572230"	392.09822	"C12454"	"Anatalline"	"C15H17N3"	"239.1422"	"M+K+CF3COOH"	152.95602
"808792"	101.0841	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M"	0
"979043"	82.06571	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-H2O-H"	-19.01839
"73846"	66.382124	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M-3H"	-3.021828
"511219"	100.076824	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M-3H"	-3.021828
"885741"	32.687424	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-3H"	-3.021828
"6501"	100.076824	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M-2H"	-2.014552
"448248"	150.618874	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M-2H"	-2.014552
"824956"	49.534774	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-2H"	-2.014552
"87134"	201.160924	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M-H"	-1.007276
"532055"	302.245024	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M-H"	-1.007276
"906696"	100.076824	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-H"	-1.007276
"61800"	218.187471	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M-2H+NH4"	16.019271
"496256"	319.271571	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M-2H+NH4"	16.019271
"874062"	117.103371	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-2H+NH4"	16.019271
"34306"	223.142866	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M-2H+Na"	20.974666
"474596"	324.226966	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M-2H+Na"	20.974666
"850938"	122.058766	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-2H+Na"	20.974666
"1621199"	122.058766	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Na-2H"	20.974666
"101015"	118.065163	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M-H+Cl"	33.962126
"541668"	168.607213	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M-H+Cl"	33.962126
"931536"	67.523113	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-H+Cl"	33.962126
"273009"	237.137602	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+Cl"	34.969402
"669444"	338.221702	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+Cl"	34.969402
"1274924"	136.053502	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Cl"	34.969402
"20032"	239.116806	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M-2H+K"	36.948606
"463965"	340.200906	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M-2H+K"	36.948606
"837396"	138.032706	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-2H+K"	36.948606
"1565257"	138.032706	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+K-2H"	36.948606
"953140"	146.082294	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-H+HCOOH"	44.998194
"369168"	247.166401	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+HCOOH-H"	44.998201
"348677"	261.182051	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+Hac-H"	59.013851
"1495321"	160.097951	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Hac-H"	59.013851
"966145"	168.064251	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-H+NaCOOH"	66.980151
"118332"	136.053502	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+2Cl"	69.938804
"563364"	186.595552	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+2Cl"	69.938804
"1026694"	85.511452	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2Cl"	69.938804
"1252836"	180.002985	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Br"	78.918885
"1315293"	182.058972	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Cl+HCOOH"	80.974872
"1332424"	204.040929	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Cl+NaCOOH"	102.956829
"922751"	214.069686	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M-H+CF3COOH"	112.985586
"1297276"	250.046364	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Cl+CF3COOH"	148.962264
"1378717"	66.071424	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H-2H2O"	-35.012676
"1392932"	84.0814	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H-H2O"	-17.0027
"283508"	203.175476	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+H"	1.007276
"678112"	304.259576	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+H"	1.007276
"1354096"	102.091376	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H"	1.007276
"130264"	102.091376	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+2H"	2.014552
"570191"	152.633426	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+2H"	2.014552
"1039364"	51.549326	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2H"	2.014552
"206891"	68.396676	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+3H"	3.021828
"646454"	102.091376	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+3H"	3.021828
"1165672"	34.701976	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+3H"	3.021828
"430036"	220.202023	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+NH4"	18.033823
"787384"	321.286123	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+NH4"	18.033823
"1688835"	119.117923	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+NH4"	18.033823
"333833"	110.6046495	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+H+NH4"	19.041099
"724066"	161.1466995	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+H+NH4"	19.041099
"1478371"	60.0625995	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H+NH4"	19.041099
"393239"	225.157418	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+Na"	22.989218
"754643"	326.241518	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+Na"	22.989218
"1607846"	124.073318	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Na"	22.989218
"314720"	113.082347	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+H+Na"	23.996494
"709201"	163.624397	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+H+Na"	23.996494
"1463032"	62.540297	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H+Na"	23.996494
"1061750"	42.02929	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2H+Na"	25.00377
"1261239"	134.117586	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+CH3OH+H"	33.033486
"384188"	241.131358	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+K"	38.963158
"740080"	342.215458	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+K"	38.963158
"1550518"	140.047258	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+K"	38.963158
"302224"	121.069317	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+H+K"	39.970434
"697926"	171.611367	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+H+K"	39.970434
"1451746"	70.527267	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H+K"	39.970434
"242532"	244.202026	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+ACN+H"	42.033826
"1216332"	143.117926	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+ACN+H"	42.033826
"1199127"	72.062601	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+ACN+2H"	43.041102
"193092"	247.13936	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+2Na-H"	44.97116
"635930"	348.22346	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+2Na-H"	44.97116
"1136156"	146.05526	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2Na-H"	44.97116
"186622"	124.073318	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+2Na"	45.978436
"627043"	174.615368	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+2Na"	45.978436
"1130788"	73.531268	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2Na"	45.978436
"1412726"	49.356604	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H+2Na"	46.985712
"1442531"	148.096846	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H+HCOOH"	47.012746
"226756"	129.10634	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+3H2O+2H"	56.04448
"1522968"	162.14889	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+IsoProp+H"	61.06479
"423629"	132.060288	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+Na+K"	61.952376
"784011"	182.602338	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+Na+K"	61.952376
"1678761"	81.518238	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Na+K"	61.952376
"265281"	266.183968	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+ACN+Na"	64.015768
"1240057"	165.099868	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+ACN+Na"	64.015768
"1724325"	165.123393	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+NH4+HCOOH"	64.039293
"1191504"	56.683918	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+3Na"	68.967654
"1663219"	170.078788	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Na+HCOOH"	68.994688
"169352"	279.08724	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+2K-H"	76.91904
"609276"	380.17134	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+2K-H"	76.91904
"1097070"	178.00314	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2K-H"	76.91904
"150608"	140.047258	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"2M+2K"	77.926316
"591261"	190.589308	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"3M+2K"	77.926316
"1073585"	89.505208	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2K"	77.926316
"1105703"	180.017692	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2K+H"	78.933592
"1342087"	180.105307	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+DMSO+H"	79.021207
"1008428"	184.144476	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2ACN+H"	83.060376
"1529836"	185.138108	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+IsoProp+Na+H"	84.054008
"995190"	92.575876	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+2ACN+2H"	84.067652
"1591883"	186.052728	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+K+HCOOH"	84.968628
"1417551"	216.084238	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+H+CF3COOH"	115.000138
"1148934"	113.089151	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+3ACN+2H"	125.094202
"1706142"	233.110785	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+NH4+CF3COOH"	132.026685
"1640699"	238.06618	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+Na+CF3COOH"	136.98208
"1581817"	254.04012	"C12455"	"5-Aminopentanal"	"C5H11NO"	"101.0841"	"M+K+CF3COOH"	152.95602
"802341"	248.1049	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M"	0
"978059"	229.08651	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-H2O-H"	-19.01839
"71769"	164.395990666667	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M-3H"	-3.021828
"512422"	247.097624	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M-3H"	-3.021828
"889130"	81.6943573333333	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-3H"	-3.021828
"6611"	247.097624	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M-2H"	-2.014552
"448357"	371.150074	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M-2H"	-2.014552
"826158"	123.045174	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-2H"	-2.014552
"86150"	495.202524	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M-H"	-1.007276
"526813"	743.307424	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M-H"	-1.007276
"908749"	247.097624	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-H"	-1.007276
"50609"	512.229071	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M-2H+NH4"	16.019271
"493450"	760.333971	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M-2H+NH4"	16.019271
"874172"	264.124171	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-2H+NH4"	16.019271
"35145"	517.184466	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M-2H+Na"	20.974666
"473977"	765.289366	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M-2H+Na"	20.974666
"852141"	269.079566	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-2H+Na"	20.974666
"1620216"	269.079566	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Na-2H"	20.974666
"103311"	265.085963	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M-H+Cl"	33.962126
"541777"	389.138413	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M-H+Cl"	33.962126
"932011"	141.033513	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-H+Cl"	33.962126
"272755"	531.179202	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+Cl"	34.969402
"668461"	779.284102	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+Cl"	34.969402
"1274426"	283.074302	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Cl"	34.969402
"21235"	533.158406	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M-2H+K"	36.948606
"464074"	781.263306	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M-2H+K"	36.948606
"837506"	285.053506	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-2H+K"	36.948606
"1563180"	285.053506	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+K-2H"	36.948606
"949970"	293.103094	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-H+HCOOH"	44.998194
"369278"	541.208001	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+HCOOH-H"	44.998201
"350974"	555.223651	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+Hac-H"	59.013851
"1496523"	307.118751	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Hac-H"	59.013851
"964068"	315.085051	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-H+NaCOOH"	66.980151
"117348"	283.074302	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+2Cl"	69.938804
"563473"	407.126752	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+2Cl"	69.938804
"1027896"	159.021852	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2Cl"	69.938804
"1252945"	327.023785	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Br"	78.918885
"1317585"	329.079772	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Cl+HCOOH"	80.974872
"1335084"	351.061729	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Cl+NaCOOH"	102.956829
"925776"	361.090486	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M-H+CF3COOH"	112.985586
"1298479"	397.067164	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Cl+CF3COOH"	148.962264
"1375548"	213.092224	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H-2H2O"	-35.012676
"1393042"	231.1022	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H-H2O"	-17.0027
"284343"	497.217076	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+H"	1.007276
"676764"	745.321976	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+H"	1.007276
"1352381"	249.112176	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H"	1.007276
"127093"	249.112176	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+2H"	2.014552
"568114"	373.164626	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+2H"	2.014552
"1039474"	125.059726	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2H"	2.014552
"204733"	166.410542666667	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+3H"	3.021828
"645104"	249.112176	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+3H"	3.021828
"1164445"	83.7089093333333	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+3H"	3.021828
"427230"	514.243623	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+NH4"	18.033823
"787131"	762.348523	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+NH4"	18.033823
"1688945"	266.138723	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+NH4"	18.033823
"333943"	257.6254495	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+H+NH4"	19.041099
"724904"	381.6778995	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+H+NH4"	19.041099
"1479453"	133.5729995	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H+NH4"	19.041099
"393879"	519.199018	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+Na"	22.989218
"756576"	767.303918	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+Na"	22.989218
"1607956"	271.094118	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Na"	22.989218
"314708"	260.103147	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+H+Na"	23.996494
"710039"	384.155597	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+H+Na"	23.996494
"1463506"	136.050697	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H+Na"	23.996494
"1053222"	91.0362233333333	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2H+Na"	25.00377
"1260984"	281.138386	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+CH3OH+H"	33.033486
"377247"	535.172958	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+K"	38.963158
"740554"	783.277858	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+K"	38.963158
"1549534"	287.068058	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+K"	38.963158
"302334"	268.090117	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+H+K"	39.970434
"692933"	392.142567	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+H+K"	39.970434
"1448210"	144.037667	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H+K"	39.970434
"238631"	538.243626	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+ACN+H"	42.033826
"1216440"	290.138726	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+ACN+H"	42.033826
"1200329"	145.573001	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+ACN+2H"	43.041102
"196481"	541.18096	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+2Na-H"	44.97116
"633488"	789.28586	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+2Na-H"	44.97116
"1136267"	293.07606	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2Na-H"	44.97116
"186855"	271.094118	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+2Na"	45.978436
"627397"	395.146568	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+2Na"	45.978436
"1130652"	147.041668	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2Na"	45.978436
"1410526"	98.3635373333333	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H+2Na"	46.985712
"1440454"	295.117646	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H+HCOOH"	47.012746
"227959"	276.12714	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+3H2O+2H"	56.04448
"1523200"	309.16969	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+IsoProp+H"	61.06479
"423861"	279.081088	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+Na+K"	61.952376
"783268"	403.133538	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+Na+K"	61.952376
"1679114"	155.028638	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Na+K"	61.952376
"266243"	560.225568	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+ACN+Na"	64.015768
"1240864"	312.120668	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+ACN+Na"	64.015768
"1722249"	312.144193	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+NH4+HCOOH"	64.039293
"1190887"	105.690851333333	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+3Na"	68.967654
"1663694"	317.099588	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Na+HCOOH"	68.994688
"169098"	573.12884	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+2K-H"	76.91904
"610846"	821.23374	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+2K-H"	76.91904
"1096451"	325.02394	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2K-H"	76.91904
"149625"	287.068058	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"2M+2K"	77.926316
"589184"	411.120508	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"3M+2K"	77.926316
"1074789"	163.015608	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2K"	77.926316
"1105813"	327.038492	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2K+H"	78.933592
"1341102"	327.126107	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+DMSO+H"	79.021207
"1007445"	331.165276	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2ACN+H"	83.060376
"1528852"	332.158908	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+IsoProp+Na+H"	84.054008
"995299"	166.086276	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+2ACN+2H"	84.067652
"1589806"	333.073528	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+K+HCOOH"	84.968628
"1418754"	363.105038	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+H+CF3COOH"	115.000138
"1147951"	186.599551	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+3ACN+2H"	125.094202
"1706252"	380.131585	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+NH4+CF3COOH"	132.026685
"1640809"	385.08698	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+Na+CF3COOH"	136.98208
"1581927"	401.06092	"C12456"	"3-Dimethylallyl-4-hydroxyphenylpyruvate;3-4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl-2-oxopropanoate"	"C14H16O4"	"248.1049"	"M+K+CF3COOH"	152.95602
"802451"	236.1049	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M"	0
"977076"	217.08651	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-H2O-H"	-19.01839
"71879"	156.395990666667	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M-3H"	-3.021828
"512532"	235.097624	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M-3H"	-3.021828
"887053"	77.6943573333333	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-3H"	-3.021828
"4534"	235.097624	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M-2H"	-2.014552
"445187"	353.150074	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M-2H"	-2.014552
"825175"	117.045174	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-2H"	-2.014552
"85167"	471.202524	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M-H"	-1.007276
"525830"	707.307424	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M-H"	-1.007276
"903630"	235.097624	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-H"	-1.007276
"52537"	488.229071	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M-2H+NH4"	16.019271
"491007"	724.333971	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M-2H+NH4"	16.019271
"868083"	252.124171	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-2H+NH4"	16.019271
"34281"	493.184466	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M-2H+Na"	20.974666
"474814"	729.289366	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M-2H+Na"	20.974666
"849819"	257.079566	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-2H+Na"	20.974666
"1619473"	257.079566	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Na-2H"	20.974666
"102328"	253.085963	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M-H+Cl"	33.962126
"541887"	371.138413	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M-H+Cl"	33.962126
"932849"	135.033513	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-H+Cl"	33.962126
"269948"	507.179202	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+Cl"	34.969402
"672944"	743.284102	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+Cl"	34.969402
"1274777"	271.074302	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Cl"	34.969402
"23532"	509.158406	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M-2H+K"	36.948606
"463091"	745.263306	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M-2H+K"	36.948606
"835430"	273.053506	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-2H+K"	36.948606
"1565477"	273.053506	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+K-2H"	36.948606
"950081"	281.103094	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-H+HCOOH"	44.998194
"370481"	517.208001	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+HCOOH-H"	44.998201
"352177"	531.223651	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+Hac-H"	59.013851
"1496633"	295.118751	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Hac-H"	59.013851
"959311"	303.085051	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-H+NaCOOH"	66.980151
"111260"	271.074302	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+2Cl"	69.938804
"559208"	389.126752	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+2Cl"	69.938804
"1028006"	153.021852	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2Cl"	69.938804
"1250867"	315.023785	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Br"	78.918885
"1311135"	317.079772	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Cl+HCOOH"	80.974872
"1333003"	339.061729	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Cl+NaCOOH"	102.956829
"920783"	349.090486	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M-H+CF3COOH"	112.985586
"1294215"	385.067164	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Cl+CF3COOH"	148.962264
"1373469"	201.092224	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H-2H2O"	-35.012676
"1387685"	219.1022	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H-H2O"	-17.0027
"283598"	473.217076	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+H"	1.007276
"676145"	709.321976	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+H"	1.007276
"1351882"	237.112176	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H"	1.007276
"129388"	237.112176	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+2H"	2.014552
"568220"	355.164626	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+2H"	2.014552
"1039583"	119.059726	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2H"	2.014552
"207115"	158.410542666667	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+3H"	3.021828
"644850"	237.112176	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+3H"	3.021828
"1163577"	79.7089093333333	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+3H"	3.021828
"425274"	490.243623	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+NH4"	18.033823
"786304"	726.348523	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+NH4"	18.033823
"1685045"	254.138723	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+NH4"	18.033823
"332587"	245.6254495	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+H+NH4"	19.041099
"724280"	363.6778995	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+H+NH4"	19.041099
"1478467"	127.5729995	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H+NH4"	19.041099
"394231"	495.199018	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+Na"	22.989218
"754370"	731.303918	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+Na"	22.989218
"1604783"	259.094118	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Na"	22.989218
"315180"	248.103147	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+H+Na"	23.996494
"707357"	366.155597	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+H+Na"	23.996494
"1462642"	130.050697	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H+Na"	23.996494
"1053331"	87.0362233333333	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2H+Na"	25.00377
"1260366"	269.138386	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+CH3OH+H"	33.033486
"377959"	511.172958	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+K"	38.963158
"738715"	747.277858	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+K"	38.963158
"1548551"	275.068058	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+K"	38.963158
"302444"	256.090117	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+H+K"	39.970434
"693770"	374.142567	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+H+K"	39.970434
"1449777"	138.037667	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H+K"	39.970434
"237284"	514.243626	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+ACN+H"	42.033826
"1211325"	278.138726	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+ACN+H"	42.033826
"1199346"	139.573001	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+ACN+2H"	43.041102
"191487"	517.18096	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+2Na-H"	44.97116
"632869"	753.28586	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+2Na-H"	44.97116
"1133218"	281.07606	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2Na-H"	44.97116
"185139"	259.094118	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+2Na"	45.978436
"627748"	377.146568	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+2Na"	45.978436
"1130029"	141.041668	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2Na"	45.978436
"1410636"	94.3635373333333	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H+2Na"	46.985712
"1436189"	283.117646	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H+HCOOH"	47.012746
"224789"	264.12714	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+3H2O+2H"	56.04448
"1522579"	297.16969	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+IsoProp+H"	61.06479
"424094"	267.081088	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+Na+K"	61.952376
"783378"	385.133538	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+Na+K"	61.952376
"1677523"	149.028638	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Na+K"	61.952376
"265136"	536.225568	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+ACN+Na"	64.015768
"1240974"	300.120668	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+ACN+Na"	64.015768
"1723088"	300.144193	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+NH4+HCOOH"	64.039293
"1190631"	101.690851333333	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+3Na"	68.967654
"1661981"	305.099588	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Na+HCOOH"	68.994688
"169572"	549.12884	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+2K-H"	76.91904
"609497"	785.23374	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+2K-H"	76.91904
"1095832"	313.02394	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2K-H"	76.91904
"148639"	275.068058	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"2M+2K"	77.926316
"590389"	393.120508	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"3M+2K"	77.926316
"1070524"	157.015608	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2K"	77.926316
"1107015"	315.038492	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2K+H"	78.933592
"1337323"	315.126107	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+DMSO+H"	79.021207
"1008648"	319.165276	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2ACN+H"	83.060376
"1526776"	320.158908	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+IsoProp+Na+H"	84.054008
"993223"	160.086276	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+2ACN+2H"	84.067652
"1588093"	321.073528	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+K+HCOOH"	84.968628
"1418864"	351.105038	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+H+CF3COOH"	115.000138
"1150247"	180.599551	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+3ACN+2H"	125.094202
"1706362"	368.131585	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+NH4+CF3COOH"	132.026685
"1640919"	373.08698	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+Na+CF3COOH"	136.98208
"1582037"	389.06092	"C12457"	"3-Dimethylallyl-4-hydroxymandelic acid"	"C13H16O4"	"236.1049"	"M+K+CF3COOH"	152.95602
"802925"	206.0943	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M"	0
"978279"	187.07591	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-H2O-H"	-19.01839
"71989"	136.388924	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M-3H"	-3.021828
"512642"	205.087024	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M-3H"	-3.021828
"891538"	67.690824	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-3H"	-3.021828
"9019"	205.087024	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M-2H"	-2.014552
"448578"	308.134174	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M-2H"	-2.014552
"829296"	102.039874	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-2H"	-2.014552
"88923"	411.181324	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M-H"	-1.007276
"528124"	617.275624	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M-H"	-1.007276
"905925"	205.087024	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-H"	-1.007276
"59209"	428.207871	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M-2H+NH4"	16.019271
"492211"	634.302171	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M-2H+NH4"	16.019271
"871109"	222.113571	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-2H+NH4"	16.019271
"36460"	433.163266	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M-2H+Na"	20.974666
"475654"	639.257566	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M-2H+Na"	20.974666
"850416"	227.068966	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-2H+Na"	20.974666
"1621893"	227.068966	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Na-2H"	20.974666
"104624"	223.075363	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M-H+Cl"	33.962126
"541997"	326.122513	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M-H+Cl"	33.962126
"932595"	120.028213	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-H+Cl"	33.962126
"270057"	447.158002	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+Cl"	34.969402
"673054"	653.252302	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+Cl"	34.969402
"1277440"	241.063702	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Cl"	34.969402
"23642"	449.137206	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M-2H+K"	36.948606
"466481"	655.231506	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M-2H+K"	36.948606
"838820"	243.042906	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-2H+K"	36.948606
"1567773"	243.042906	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+K-2H"	36.948606
"953470"	251.092494	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-H+HCOOH"	44.998194
"369498"	457.186801	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+HCOOH-H"	44.998201
"351194"	471.202451	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+Hac-H"	59.013851
"1496743"	265.108151	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Hac-H"	59.013851
"960276"	273.074451	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-H+NaCOOH"	66.980151
"112221"	241.063702	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+2Cl"	69.938804
"557131"	344.110852	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+2Cl"	69.938804
"1028116"	138.016552	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2Cl"	69.938804
"1254258"	285.013185	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Br"	78.918885
"1314525"	287.069172	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Cl+HCOOH"	80.974872
"1333115"	309.051129	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Cl+NaCOOH"	102.956829
"924541"	319.079886	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M-H+CF3COOH"	112.985586
"1299792"	355.056564	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Cl+CF3COOH"	148.962264
"1376860"	171.081624	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H-2H2O"	-35.012676
"1389983"	189.0916	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H-H2O"	-17.0027
"286751"	413.195876	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+H"	1.007276
"678808"	619.290176	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+H"	1.007276
"1353332"	207.101576	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H"	1.007276
"129138"	207.101576	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+2H"	2.014552
"570521"	310.148726	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+2H"	2.014552
"1040418"	104.054426	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2H"	2.014552
"206130"	138.403476	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+3H"	3.021828
"648243"	207.101576	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+3H"	3.021828
"1166732"	69.705376	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+3H"	3.021828
"428909"	430.222423	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+NH4"	18.033823
"789174"	636.316723	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+NH4"	18.033823
"1685884"	224.128123	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+NH4"	18.033823
"333065"	215.6148495	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+H+NH4"	19.041099
"726581"	318.6619995	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+H+NH4"	19.041099
"1479671"	112.5676995	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H+NH4"	19.041099
"394341"	435.177818	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+Na"	22.989218
"754521"	641.272118	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+Na"	22.989218
"1603553"	229.083518	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Na"	22.989218
"314599"	218.092547	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+H+Na"	23.996494
"707712"	321.139697	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+H+Na"	23.996494
"1462019"	115.045397	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H+Na"	23.996494
"1053929"	77.03269	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2H+Na"	25.00377
"1258893"	239.127786	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+CH3OH+H"	33.033486
"379042"	451.151758	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+K"	38.963158
"739795"	657.246058	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+K"	38.963158
"1542826"	245.057458	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+K"	38.963158
"302554"	226.079517	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+H+K"	39.970434
"698254"	329.126667	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+H+K"	39.970434
"1450980"	123.032367	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H+K"	39.970434
"237393"	454.222426	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+ACN+H"	42.033826
"1213380"	248.128126	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+ACN+H"	42.033826
"1201642"	124.567701	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+ACN+2H"	43.041102
"196698"	457.15976	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+2Na-H"	44.97116
"634072"	663.25406	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+2Na-H"	44.97116
"1134664"	251.06546	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2Na-H"	44.97116
"185249"	229.083518	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+2Na"	45.978436
"628344"	332.130668	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+2Na"	45.978436
"1130139"	126.036368	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2Na"	45.978436
"1410746"	84.360004	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H+2Na"	46.985712
"1436663"	253.107046	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H+HCOOH"	47.012746
"227089"	234.11654	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+3H2O+2H"	56.04448
"1518436"	267.15909	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+IsoProp+H"	61.06479
"424250"	237.070488	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+Na+K"	61.952376
"783489"	340.117638	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+Na+K"	61.952376
"1678728"	134.023338	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Na+K"	61.952376
"263060"	476.204368	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+ACN+Na"	64.015768
"1236861"	270.110068	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+ACN+Na"	64.015768
"1727208"	270.133593	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+NH4+HCOOH"	64.039293
"1190741"	91.687318	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+3Na"	68.967654
"1663186"	275.088988	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Na+HCOOH"	68.994688
"169683"	489.10764	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+2K-H"	76.91904
"610336"	695.20194	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+2K-H"	76.91904
"1095577"	283.01334	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2K-H"	76.91904
"150935"	245.057458	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"2M+2K"	77.926316
"588310"	348.104608	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"3M+2K"	77.926316
"1078290"	142.010308	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2K"	77.926316
"1104937"	285.027892	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2K+H"	78.933592
"1339134"	285.115507	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+DMSO+H"	79.021207
"1017509"	289.154676	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2ACN+H"	83.060376
"1526884"	290.148308	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+IsoProp+Na+H"	84.054008
"996612"	145.080976	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+2ACN+2H"	84.067652
"1591121"	291.062928	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+K+HCOOH"	84.968628
"1420065"	321.094438	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+H+CF3COOH"	115.000138
"1151453"	165.594251	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+3ACN+2H"	125.094202
"1706472"	338.120985	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+NH4+CF3COOH"	132.026685
"1641029"	343.07638	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+Na+CF3COOH"	136.98208
"1582147"	359.05032	"C12458"	"3-Dimethylallyl-4-hydroxybenzoate"	"C12H14O3"	"206.0943"	"M+K+CF3COOH"	152.95602
"802671"	190.0994	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M"	0
"976203"	171.08101	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-H2O-H"	-19.01839
"72099"	125.725657333333	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M-3H"	-3.021828
"516763"	189.092124	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M-3H"	-3.021828
"891648"	62.3591906666667	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-3H"	-3.021828
"10952"	189.092124	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M-2H"	-2.014552
"449781"	284.141824	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M-2H"	-2.014552
"826490"	94.042424	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-2H"	-2.014552
"84294"	379.191524	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M-H"	-1.007276
"518630"	569.290924	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M-H"	-1.007276
"896435"	189.092124	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-H"	-1.007276
"52758"	396.218071	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M-2H+NH4"	16.019271
"492321"	586.317471	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M-2H+NH4"	16.019271
"866842"	206.118671	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-2H+NH4"	16.019271
"35838"	401.173466	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M-2H+Na"	20.974666
"471590"	591.272866	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M-2H+Na"	20.974666
"850284"	211.074066	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-2H+Na"	20.974666
"1618682"	211.074066	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Na-2H"	20.974666
"103641"	207.080463	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M-H+Cl"	33.962126
"536274"	302.130163	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M-H+Cl"	33.962126
"927960"	112.030763	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-H+Cl"	33.962126
"267976"	415.168202	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+Cl"	34.969402
"673164"	605.267602	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+Cl"	34.969402
"1285569"	225.068802	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Cl"	34.969402
"24844"	417.147406	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M-2H+K"	36.948606
"457842"	607.246806	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M-2H+K"	36.948606
"844398"	227.048006	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-2H+K"	36.948606
"1567883"	227.048006	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+K-2H"	36.948606
"947019"	235.097594	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-H+HCOOH"	44.998194
"369608"	425.197001	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+HCOOH-H"	44.998201
"357501"	439.212651	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+Hac-H"	59.013851
"1500136"	249.113251	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Hac-H"	59.013851
"971325"	257.079551	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-H+NaCOOH"	66.980151
"116585"	225.068802	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+2Cl"	69.938804
"560523"	320.118502	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+2Cl"	69.938804
"1026040"	130.019102	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2Cl"	69.938804
"1251088"	269.018285	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Br"	78.918885
"1312448"	271.074272	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Cl+HCOOH"	80.974872
"1335169"	293.056229	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Cl+NaCOOH"	102.956829
"925743"	303.084986	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M-H+CF3COOH"	112.985586
"1296624"	339.061664	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Cl+CF3COOH"	148.962264
"1376970"	155.086724	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H-2H2O"	-35.012676
"1393373"	173.0967	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H-H2O"	-17.0027
"285039"	381.206076	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+H"	1.007276
"678553"	571.305476	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+H"	1.007276
"1352351"	191.106676	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H"	1.007276
"127790"	191.106676	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+2H"	2.014552
"568443"	286.156376	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+2H"	2.014552
"1039800"	96.056976	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2H"	2.014552
"205511"	127.740209333333	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+3H"	3.021828
"646528"	191.106676	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+3H"	3.021828
"1166477"	64.3737426666667	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+3H"	3.021828
"428290"	398.232623	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+NH4"	18.033823
"789285"	588.332023	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+NH4"	18.033823
"1684172"	208.133223	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+NH4"	18.033823
"331354"	199.6199495	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+H+NH4"	19.041099
"724504"	294.6696495	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+H+NH4"	19.041099
"1478565"	104.5702495	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H+NH4"	19.041099
"393720"	403.188018	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+Na"	22.989218
"754289"	593.287418	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+Na"	22.989218
"1602765"	213.088618	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Na"	22.989218
"314463"	202.097647	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+H+Na"	23.996494
"707291"	297.147347	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+H+Na"	23.996494
"1461514"	107.047947	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H+Na"	23.996494
"1053145"	71.7010566666667	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2H+Na"	25.00377
"1257786"	223.132886	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+CH3OH+H"	33.033486
"378420"	419.161958	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+K"	38.963158
"739537"	609.261358	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+K"	38.963158
"1541114"	229.062558	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+K"	38.963158
"301206"	210.084617	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+H+K"	39.970434
"693627"	305.134317	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+H+K"	39.970434
"1447080"	115.034917	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H+K"	39.970434
"237868"	422.232626	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+ACN+H"	42.033826
"1211304"	232.133226	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+ACN+H"	42.033826
"1198473"	116.570251	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+ACN+2H"	43.041102
"192436"	425.16996	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+2Na-H"	44.97116
"630903"	615.26936	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+2Na-H"	44.97116
"1134043"	235.07056	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2Na-H"	44.97116
"187426"	213.088618	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+2Na"	45.978436
"626743"	308.138318	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+2Na"	45.978436
"1124050"	118.038918	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2Na"	45.978436
"1405387"	79.0283706666667	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H+2Na"	46.985712
"1436409"	237.112146	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H+HCOOH"	47.012746
"226104"	218.12164	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+3H2O+2H"	56.04448
"1523284"	251.16419	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+IsoProp+H"	61.06479
"423698"	221.075588	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+Na+K"	61.952376
"785383"	316.125288	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+Na+K"	61.952376
"1677744"	126.025888	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Na+K"	61.952376
"264627"	444.214568	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+ACN+Na"	64.015768
"1237337"	254.115168	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+ACN+Na"	64.015768
"1724037"	254.138693	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+NH4+HCOOH"	64.039293
"1189756"	86.3556846666667	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+3Na"	68.967654
"1662567"	259.094088	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Na+HCOOH"	68.994688
"169430"	457.11784	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+2K-H"	76.91904
"608988"	647.21724	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+2K-H"	76.91904
"1094958"	267.01844	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2K-H"	76.91904
"151047"	229.062558	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"2M+2K"	77.926316
"591337"	324.112258	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"3M+2K"	77.926316
"1078766"	134.012858	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2K"	77.926316
"1111245"	269.032992	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2K+H"	78.933592
"1346901"	269.120607	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+DMSO+H"	79.021207
"1017985"	273.159776	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2ACN+H"	83.060376
"1536838"	274.153408	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+IsoProp+Na+H"	84.054008
"1001828"	137.083526	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+2ACN+2H"	84.067652
"1590138"	275.068028	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+K+HCOOH"	84.968628
"1421272"	305.099538	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+H+CF3COOH"	115.000138
"1154844"	157.596801	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+3ACN+2H"	125.094202
"1706582"	322.126085	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+NH4+CF3COOH"	132.026685
"1644420"	327.08148	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+Na+CF3COOH"	136.98208
"1582257"	343.05542	"C12459"	"3-Dimethylallyl-4-hydroxybenzaldehyde"	"C12H14O2"	"190.0994"	"M+K+CF3COOH"	152.95602
"806067"	207.0532	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M"	0
"977412"	188.03481	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-H2O-H"	-19.01839
"64560"	137.028190666667	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M-3H"	-3.021828
"512874"	206.045924	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M-3H"	-3.021828
"884115"	68.0104573333333	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-3H"	-3.021828
"9254"	206.045924	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M-2H"	-2.014552
"445533"	309.572524	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M-2H"	-2.014552
"819324"	102.519324	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-2H"	-2.014552
"85515"	413.099124	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M-H"	-1.007276
"530547"	620.152324	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M-H"	-1.007276
"907257"	206.045924	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-H"	-1.007276
"59444"	430.125671	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M-2H+NH4"	16.019271
"490622"	637.178871	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M-2H+NH4"	16.019271
"867331"	223.072471	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-2H+NH4"	16.019271
"38148"	435.081066	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M-2H+Na"	20.974666
"478802"	642.134266	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M-2H+Na"	20.974666
"863777"	228.027866	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-2H+Na"	20.974666
"1631609"	228.027866	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Na-2H"	20.974666
"109681"	224.034263	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M-H+Cl"	33.962126
"549605"	327.560863	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M-H+Cl"	33.962126
"940122"	120.507663	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-H+Cl"	33.962126
"276492"	449.075802	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+Cl"	34.969402
"673285"	656.129002	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+Cl"	34.969402
"1286781"	242.022602	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Cl"	34.969402
"26057"	451.055006	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M-2H+K"	36.948606
"463431"	658.108206	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M-2H+K"	36.948606
"840139"	244.001806	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-2H+K"	36.948606
"1558158"	244.001806	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+K-2H"	36.948606
"945313"	252.051394	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-H+HCOOH"	44.998194
"364256"	459.104601	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+HCOOH-H"	44.998201
"345950"	473.120251	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+Hac-H"	59.013851
"1499165"	266.067051	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Hac-H"	59.013851
"964519"	274.033351	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-H+NaCOOH"	66.980151
"121818"	242.022602	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+2Cl"	69.938804
"563200"	345.549202	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+2Cl"	69.938804
"1033820"	138.496002	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2Cl"	69.938804
"1250119"	285.972085	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Br"	78.918885
"1313662"	288.028072	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Cl+HCOOH"	80.974872
"1320949"	310.010029	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Cl+NaCOOH"	102.956829
"915288"	320.038786	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M-H+CF3COOH"	112.985586
"1296741"	356.015464	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Cl+CF3COOH"	148.962264
"1373807"	172.040524	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H-2H2O"	-35.012676
"1392404"	190.0505	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H-H2O"	-17.0027
"289902"	415.113676	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+H"	1.007276
"682324"	622.166876	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+H"	1.007276
"1361955"	208.060476	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H"	1.007276
"138125"	208.060476	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+2H"	2.014552
"571123"	311.587076	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+2H"	2.014552
"1048677"	104.533876	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2H"	2.014552
"212200"	139.042742666667	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+3H"	3.021828
"657232"	208.060476	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+3H"	3.021828
"1169888"	70.0250093333333	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+3H"	3.021828
"430974"	432.140223	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+NH4"	18.033823
"798530"	639.193423	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+NH4"	18.033823
"1695231"	225.087023	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+NH4"	18.033823
"345221"	216.5737495	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+H+NH4"	19.041099
"738169"	320.1003495	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+H+NH4"	19.041099
"1490476"	113.0471495	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H+NH4"	19.041099
"408231"	437.095618	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+Na"	22.989218
"769433"	644.148818	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+Na"	22.989218
"1618182"	230.042418	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Na"	22.989218
"329554"	219.051447	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+H+Na"	23.996494
"722750"	322.578047	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+H+Na"	23.996494
"1475996"	115.524847	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H+Na"	23.996494
"1068069"	77.3523233333333	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2H+Na"	25.00377
"1272333"	240.086686	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+CH3OH+H"	33.033486
"390945"	453.069558	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+K"	38.963158
"751942"	660.122758	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+K"	38.963158
"1553639"	246.016358	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+K"	38.963158
"312516"	227.038417	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+H+K"	39.970434
"706145"	330.565017	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+H+K"	39.970434
"1458870"	123.511817	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H+K"	39.970434
"251041"	456.140226	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+ACN+H"	42.033826
"1221273"	249.087026	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+ACN+H"	42.033826
"1201876"	125.047151	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+ACN+2H"	43.041102
"200213"	459.07756	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+2Na-H"	44.97116
"637585"	666.13076	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+2Na-H"	44.97116
"1139995"	252.02436	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2Na-H"	44.97116
"180013"	230.042418	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+2Na"	45.978436
"623950"	333.569018	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+2Na"	45.978436
"1127454"	126.515818	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2Na"	45.978436
"1412072"	84.6796373333333	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H+2Na"	46.985712
"1442002"	254.065946	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H+HCOOH"	47.012746
"230604"	235.07544	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+3H2O+2H"	56.04448
"1517574"	268.11799	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+IsoProp+H"	61.06479
"410699"	238.029388	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+Na+K"	61.952376
"774971"	341.555988	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+Na+K"	61.952376
"1669113"	134.502788	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Na+K"	61.952376
"255632"	478.122168	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+ACN+Na"	64.015768
"1233438"	271.068968	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+ACN+Na"	64.015768
"1715045"	271.092493	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+NH4+HCOOH"	64.039293
"1181129"	92.0069513333333	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+3Na"	68.967654
"1654666"	276.047888	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Na+HCOOH"	68.994688
"164807"	491.02544	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+2K-H"	76.91904
"603276"	698.07864	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+2K-H"	76.91904
"1085234"	283.97224	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2K-H"	76.91904
"142169"	246.016358	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"2M+2K"	77.926316
"581849"	349.542958	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"3M+2K"	77.926316
"1081447"	142.489758	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2K"	77.926316
"1114660"	285.986792	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2K+H"	78.933592
"1348862"	286.074407	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+DMSO+H"	79.021207
"1017755"	290.113576	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2ACN+H"	83.060376
"1536973"	291.107208	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+IsoProp+Na+H"	84.054008
"1004879"	145.560426	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+2ACN+2H"	84.067652
"1601203"	292.021828	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+K+HCOOH"	84.968628
"1427955"	322.053338	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+H+CF3COOH"	115.000138
"1162621"	166.073701	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+3ACN+2H"	125.094202
"1712168"	339.079885	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+NH4+CF3COOH"	132.026685
"1647452"	344.03528	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+Na+CF3COOH"	136.98208
"1582373"	360.00922	"C12466"	"3-Amino-47-dihydroxy-8-methylcoumarin"	"C10H9NO4"	"207.0532"	"M+K+CF3COOH"	152.95602
"806178"	193.0375	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M"	0
"976792"	174.01911	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-H2O-H"	-19.01839
"70146"	127.684390666667	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M-3H"	-3.021828
"511893"	192.030224	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M-3H"	-3.021828
"883135"	63.3385573333333	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-3H"	-3.021828
"492"	192.030224	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M-2H"	-2.014552
"440053"	288.548974	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M-2H"	-2.014552
"820166"	95.511474	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-2H"	-2.014552
"85628"	385.067724	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M-H"	-1.007276
"527378"	578.105224	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M-H"	-1.007276
"908339"	192.030224	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-H"	-1.007276
"48131"	402.094271	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M-2H+NH4"	16.019271
"490365"	595.131771	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M-2H+NH4"	16.019271
"866343"	209.056771	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-2H+NH4"	16.019271
"34970"	407.049666	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M-2H+Na"	20.974666
"485476"	600.087166	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M-2H+Na"	20.974666
"861090"	214.012166	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-2H+Na"	20.974666
"1630624"	214.012166	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Na-2H"	20.974666
"108244"	210.018563	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M-H+Cl"	33.962126
"536874"	306.537313	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M-H+Cl"	33.962126
"930388"	113.499813	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-H+Cl"	33.962126
"272223"	421.044402	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+Cl"	34.969402
"663550"	614.081902	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+Cl"	34.969402
"1275953"	228.006902	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Cl"	34.969402
"19604"	423.023606	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M-2H+K"	36.948606
"456246"	616.061106	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M-2H+K"	36.948606
"832860"	229.986106	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-2H+K"	36.948606
"1555633"	229.986106	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+K-2H"	36.948606
"943235"	238.035694	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-H+HCOOH"	44.998194
"361687"	431.073201	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+HCOOH-H"	44.998201
"348984"	445.088851	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+Hac-H"	59.013851
"1493805"	252.051351	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Hac-H"	59.013851
"967915"	260.017651	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-H+NaCOOH"	66.980151
"121201"	228.006902	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+2Cl"	69.938804
"559665"	324.525652	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+2Cl"	69.938804
"1033568"	131.488152	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2Cl"	69.938804
"1246219"	271.956385	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Br"	78.918885
"1307937"	274.012372	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Cl+HCOOH"	80.974872
"1322884"	295.994329	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Cl+NaCOOH"	102.956829
"920140"	306.023086	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M-H+CF3COOH"	112.985586
"1291013"	341.999764	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Cl+CF3COOH"	148.962264
"1369177"	158.024824	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H-2H2O"	-35.012676
"1383512"	176.0348	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H-H2O"	-17.0027
"283319"	387.082276	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+H"	1.007276
"677689"	580.119776	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+H"	1.007276
"1352946"	194.044776	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H"	1.007276
"126563"	194.044776	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+2H"	2.014552
"578165"	290.563526	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+2H"	2.014552
"1048786"	97.526026	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2H"	2.014552
"219728"	129.698942666667	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+3H"	3.021828
"657342"	194.044776	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+3H"	3.021828
"1177412"	65.3531093333333	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+3H"	3.021828
"436555"	404.108823	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+NH4"	18.033823
"801085"	597.146323	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+NH4"	18.033823
"1696687"	211.071323	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+NH4"	18.033823
"345291"	202.5580495	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+H+NH4"	19.041099
"738384"	299.0767995	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+H+NH4"	19.041099
"1492667"	106.0392995	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H+NH4"	19.041099
"408398"	409.064218	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+Na"	22.989218
"769745"	602.101718	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+Na"	22.989218
"1617272"	216.026718	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Na"	22.989218
"328403"	205.035747	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+H+Na"	23.996494
"720821"	301.554497	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+H+Na"	23.996494
"1475977"	108.516997	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H+Na"	23.996494
"1065699"	72.6804233333333	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2H+Na"	25.00377
"1271390"	226.070986	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+CH3OH+H"	33.033486
"391428"	425.038158	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+K"	38.963158
"750965"	618.075658	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+K"	38.963158
"1554840"	232.000658	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+K"	38.963158
"313837"	213.022717	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+H+K"	39.970434
"706826"	309.541467	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+H+K"	39.970434
"1456798"	116.503967	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H+K"	39.970434
"248676"	428.108826	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+ACN+H"	42.033826
"1221383"	235.071326	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+ACN+H"	42.033826
"1199799"	118.039301	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+ACN+2H"	43.041102
"194857"	431.04616	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+2Na-H"	44.97116
"635508"	624.08366	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+2Na-H"	44.97116
"1139022"	238.00866	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2Na-H"	44.97116
"183408"	216.026718	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+2Na"	45.978436
"619689"	312.545468	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+2Na"	45.978436
"1125381"	119.507968	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2Na"	45.978436
"1407811"	80.0077373333333	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H+2Na"	46.985712
"1432637"	240.050246	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H+HCOOH"	47.012746
"225247"	221.05974	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+3H2O+2H"	56.04448
"1509660"	254.10229	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+IsoProp+H"	61.06479
"410075"	224.013688	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+Na+K"	61.952376
"771071"	320.532438	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+Na+K"	61.952376
"1667401"	127.494938	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Na+K"	61.952376
"254281"	450.090768	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+ACN+Na"	64.015768
"1229549"	257.053268	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+ACN+Na"	64.015768
"1716616"	257.076793	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+NH4+HCOOH"	64.039293
"1181240"	87.3350513333333	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+3Na"	68.967654
"1655869"	262.032188	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Na+HCOOH"	68.994688
"163095"	462.99404	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+2K-H"	76.91904
"602293"	656.03154	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+2K-H"	76.91904
"1092273"	269.95654	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2K-H"	76.91904
"145807"	232.000658	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"2M+2K"	77.926316
"594126"	328.519408	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"3M+2K"	77.926316
"1078645"	135.481908	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2K"	77.926316
"1108576"	271.971092	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2K+H"	78.933592
"1347148"	272.058707	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+DMSO+H"	79.021207
"1018958"	276.097876	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2ACN+H"	83.060376
"1534896"	277.091508	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+IsoProp+Na+H"	84.054008
"1005473"	138.552576	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+2ACN+2H"	84.067652
"1600219"	278.006128	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+K+HCOOH"	84.968628
"1429160"	308.037638	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+H+CF3COOH"	115.000138
"1160539"	159.065851	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+3ACN+2H"	125.094202
"1710090"	325.064185	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+NH4+CF3COOH"	132.026685
"1644646"	330.01958	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+Na+CF3COOH"	136.98208
"1575923"	345.99352	"C12468"	"3-Amino-47-dihydroxycoumarin"	"C9H7NO4"	"193.0375"	"M+K+CF3COOH"	152.95602
"809568"	226.9985	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M"	0
"979819"	207.98011	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-H2O-H"	-19.01839
"70256"	150.325057333333	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M-3H"	-3.021828
"512004"	225.991224	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M-3H"	-3.021828
"886525"	74.6588906666667	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-3H"	-3.021828
"560"	225.991224	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M-2H"	-2.014552
"440892"	339.490474	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M-2H"	-2.014552
"819546"	112.491974	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-2H"	-2.014552
"85738"	452.989724	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M-H"	-1.007276
"528582"	679.988224	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M-H"	-1.007276
"905291"	225.991224	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-H"	-1.007276
"56383"	470.016271	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M-2H+NH4"	16.019271
"489745"	697.014771	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M-2H+NH4"	16.019271
"866815"	243.017771	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-2H+NH4"	16.019271
"33257"	474.971666	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M-2H+Na"	20.974666
"484857"	701.970166	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M-2H+Na"	20.974666
"860107"	247.973166	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-2H+Na"	20.974666
"1630737"	247.973166	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Na-2H"	20.974666
"107992"	243.979563	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M-H+Cl"	33.962126
"535525"	357.478813	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M-H+Cl"	33.962126
"929402"	130.480313	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-H+Cl"	33.962126
"267471"	488.966402	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+Cl"	34.969402
"660621"	715.964902	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+Cl"	34.969402
"1273871"	261.967902	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Cl"	34.969402
"19714"	490.945606	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M-2H+K"	36.948606
"457452"	717.944106	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M-2H+K"	36.948606
"832964"	263.947106	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-2H+K"	36.948606
"1555625"	263.947106	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+K-2H"	36.948606
"945531"	271.996694	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-H+HCOOH"	44.998194
"363382"	498.995201	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+HCOOH-H"	44.998201
"349094"	513.010851	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+Hac-H"	59.013851
"1493793"	286.012351	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Hac-H"	59.013851
"966930"	293.978651	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-H+NaCOOH"	66.980151
"116938"	261.967902	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+2Cl"	69.938804
"559774"	375.467152	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+2Cl"	69.938804
"1030400"	148.468652	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2Cl"	69.938804
"1243777"	305.917385	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Br"	78.918885
"1309142"	307.973372	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Cl+HCOOH"	80.974872
"1322994"	329.955329	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Cl+NaCOOH"	102.956829
"919157"	339.984086	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M-H+CF3COOH"	112.985586
"1295866"	375.960764	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Cl+CF3COOH"	148.962264
"1370016"	191.985824	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H-2H2O"	-35.012676
"1383743"	209.9958	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H-H2O"	-17.0027
"283547"	455.004276	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+H"	1.007276
"678529"	682.002776	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+H"	1.007276
"1353054"	228.005776	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H"	1.007276
"127036"	228.005776	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+2H"	2.014552
"574627"	341.505026	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+2H"	2.014552
"1047800"	114.506526	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2H"	2.014552
"213516"	152.339609333333	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+3H"	3.021828
"657088"	228.005776	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+3H"	3.021828
"1177279"	76.6734426666667	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+3H"	3.021828
"436663"	472.030823	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+NH4"	18.033823
"801150"	699.029323	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+NH4"	18.033823
"1696432"	245.032323	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+NH4"	18.033823
"344951"	236.5190495	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+H+NH4"	19.041099
"738468"	350.0182995	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+H+NH4"	19.041099
"1491802"	123.0197995	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H+NH4"	19.041099
"406103"	476.986218	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+Na"	22.989218
"768190"	703.984718	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+Na"	22.989218
"1616286"	249.987718	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Na"	22.989218
"328148"	238.996747	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+H+Na"	23.996494
"720809"	352.495997	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+H+Na"	23.996494
"1475722"	125.497497	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H+Na"	23.996494
"1064715"	84.0007566666667	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2H+Na"	25.00377
"1270771"	260.031986	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+CH3OH+H"	33.033486
"389714"	492.960158	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+K"	38.963158
"749253"	719.958658	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+K"	38.963158
"1554463"	265.961658	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+K"	38.963158
"313580"	246.983717	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+H+K"	39.970434
"704177"	360.482967	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+H+K"	39.970434
"1460184"	133.484467	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H+K"	39.970434
"243318"	496.030826	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+ACN+H"	42.033826
"1217118"	269.032326	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+ACN+H"	42.033826
"1202092"	135.019801	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+ACN+2H"	43.041102
"200430"	498.96816	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+2Na-H"	44.97116
"633432"	725.96666	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+2Na-H"	44.97116
"1140226"	271.96966	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2Na-H"	44.97116
"183154"	249.987718	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+2Na"	45.978436
"623078"	363.486968	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+2Na"	45.978436
"1127315"	136.488468	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2Na"	45.978436
"1406828"	91.3280706666667	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H+2Na"	46.985712
"1435663"	274.011246	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H+HCOOH"	47.012746
"225357"	255.02074	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+3H2O+2H"	56.04448
"1508672"	288.06329	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+IsoProp+H"	61.06479
"409821"	257.974688	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+Na+K"	61.952376
"771544"	371.473938	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+Na+K"	61.952376
"1670061"	144.475438	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Na+K"	61.952376
"254393"	518.012768	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+ACN+Na"	64.015768
"1227108"	291.014268	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+ACN+Na"	64.015768
"1715633"	291.037793	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+NH4+HCOOH"	64.039293
"1180621"	98.6553846666667	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+3Na"	68.967654
"1652335"	295.993188	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Na+HCOOH"	68.994688
"161019"	530.91604	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+2K-H"	76.91904
"602402"	757.91454	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+2K-H"	76.91904
"1090561"	303.91754	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2K-H"	76.91904
"147010"	265.961658	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"2M+2K"	77.926316
"594237"	379.460908	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"3M+2K"	77.926316
"1082766"	152.462408	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2K"	77.926316
"1111967"	305.932092	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2K+H"	78.933592
"1346165"	306.019707	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+DMSO+H"	79.021207
"1019676"	310.058876	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2ACN+H"	83.060376
"1538166"	311.052508	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+IsoProp+Na+H"	84.054008
"1003640"	155.533076	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+2ACN+2H"	84.067652
"1601423"	311.967128	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+K+HCOOH"	84.968628
"1429836"	341.998638	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+H+CF3COOH"	115.000138
"1160649"	176.046351	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+3ACN+2H"	125.094202
"1710200"	359.025185	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+NH4+CF3COOH"	132.026685
"1647672"	363.98058	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+Na+CF3COOH"	136.98208
"1576033"	379.95452	"C12469"	"3-Amino-47-dihydroxy-8-chlorocoumarin"	"C9H6ClNO4"	"226.9985"	"M+K+CF3COOH"	152.95602
"806399"	415.0823	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M"	0
"977745"	396.06391	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-H2O-H"	-19.01839
"65990"	275.714257333333	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M-3H"	-3.021828
"512113"	414.075024	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M-3H"	-3.021828
"882260"	137.353490666667	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-3H"	-3.021828
"8487"	414.075024	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M-2H"	-2.014552
"448051"	621.616174	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M-2H"	-2.014552
"824763"	206.533874	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-2H"	-2.014552
"84754"	829.157324	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M-H"	-1.007276
"532336"	1244.239624	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M-H"	-1.007276
"904305"	414.075024	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-H"	-1.007276
"52118"	846.183871	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M-2H+NH4"	16.019271
"491678"	1261.266171	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M-2H+NH4"	16.019271
"871670"	431.101571	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-2H+NH4"	16.019271
"44560"	851.139266	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M-2H+Na"	20.974666
"484968"	1266.221566	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M-2H+Na"	20.974666
"861310"	436.056966	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-2H+Na"	20.974666
"1632669"	436.056966	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Na-2H"	20.974666
"99722"	432.063363	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M-H+Cl"	33.962126
"540374"	639.604513	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M-H+Cl"	33.962126
"930607"	224.522213	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-H+Cl"	33.962126
"271350"	865.134002	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+Cl"	34.969402
"662676"	1280.216302	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+Cl"	34.969402
"1275080"	450.051702	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Cl"	34.969402
"18732"	867.113206	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M-2H+K"	36.948606
"458291"	1282.195506	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M-2H+K"	36.948606
"839372"	452.030906	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-2H+K"	36.948606
"1556783"	452.030906	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+K-2H"	36.948606
"944182"	460.080494	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-H+HCOOH"	44.998194
"367875"	875.162801	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+HCOOH-H"	44.998201
"353215"	889.178451	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+Hac-H"	59.013851
"1500591"	474.096151	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Hac-H"	59.013851
"965947"	482.062451	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-H+NaCOOH"	66.980151
"119231"	450.051702	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+2Cl"	69.938804
"558798"	657.592852	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+2Cl"	69.938804
"1029050"	242.510552	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2Cl"	69.938804
"1246076"	494.001185	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Br"	78.918885
"1309983"	496.057172	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Cl+HCOOH"	80.974872
"1322739"	518.039129	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Cl+NaCOOH"	102.956829
"918175"	528.067886	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M-H+CF3COOH"	112.985586
"1297071"	564.044564	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Cl+CF3COOH"	148.962264
"1373043"	380.069624	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H-2H2O"	-35.012676
"1386893"	398.0796	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H-H2O"	-17.0027
"285488"	831.171876	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+H"	1.007276
"679735"	1246.254176	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+H"	1.007276
"1356814"	416.089576	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H"	1.007276
"137363"	416.089576	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+2H"	2.014552
"571453"	623.630726	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+2H"	2.014552
"1045720"	208.548426	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2H"	2.014552
"210341"	277.728809333333	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+3H"	3.021828
"656467"	416.089576	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+3H"	3.021828
"1169123"	139.368042666667	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+3H"	3.021828
"439336"	848.198423	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+NH4"	18.033823
"800897"	1263.280723	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+NH4"	18.033823
"1696709"	433.116123	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+NH4"	18.033823
"345311"	424.6028495	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+H+NH4"	19.041099
"738094"	632.1439995	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+H+NH4"	19.041099
"1492520"	217.0616995	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H+NH4"	19.041099
"407306"	853.153818	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+Na"	22.989218
"767206"	1268.236118	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+Na"	22.989218
"1617982"	438.071518	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Na"	22.989218
"329357"	427.080547	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+H+Na"	23.996494
"722589"	634.621697	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+H+Na"	23.996494
"1475835"	219.539397	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H+Na"	23.996494
"1067011"	146.695356666667	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2H+Na"	25.00377
"1271853"	448.115786	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+CH3OH+H"	33.033486
"391282"	869.127758	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+K"	38.963158
"754062"	1284.210058	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+K"	38.963158
"1550316"	454.045458	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+K"	38.963158
"311865"	435.067517	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+H+K"	39.970434
"706439"	642.608667	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+H+K"	39.970434
"1459200"	227.526367	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H+K"	39.970434
"246708"	872.198426	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+ACN+H"	42.033826
"1221600"	457.116126	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+ACN+H"	42.033826
"1205117"	229.061701	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+ACN+2H"	43.041102
"200545"	875.13576	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+2Na-H"	44.97116
"638655"	1290.21806	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+2Na-H"	44.97116
"1143252"	460.05346	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2Na-H"	44.97116
"185088"	438.071518	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+2Na"	45.978436
"623189"	645.612668	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+2Na"	45.978436
"1125603"	230.530368	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2Na"	45.978436
"1409124"	154.022670666667	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H+2Na"	46.985712
"1433950"	462.095046	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H+HCOOH"	47.012746
"220274"	443.10454	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+3H2O+2H"	56.04448
"1508908"	476.14709	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+IsoProp+H"	61.06479
"409202"	446.058488	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+Na+K"	61.952376
"771414"	653.599638	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+Na+K"	61.952376
"1667260"	238.517338	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Na+K"	61.952376
"252198"	894.180368	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+ACN+Na"	64.015768
"1226974"	479.098068	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+ACN+Na"	64.015768
"1714765"	479.121593	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+NH4+HCOOH"	64.039293
"1180727"	161.349984666667	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+3Na"	68.967654
"1651711"	484.076988	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Na+HCOOH"	68.994688
"158937"	907.08364	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+2K-H"	76.91904
"602148"	1322.16594	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+2K-H"	76.91904
"1087758"	492.00134	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2K-H"	76.91904
"156617"	454.045458	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"2M+2K"	77.926316
"592534"	661.586608	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"3M+2K"	77.926316
"1082148"	246.504308	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2K"	77.926316
"1109889"	494.015892	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2K+H"	78.933592
"1345182"	494.103507	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+DMSO+H"	79.021207
"1016630"	498.142676	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2ACN+H"	83.060376
"1536210"	499.136308	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+IsoProp+Na+H"	84.054008
"1003751"	249.574976	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+2ACN+2H"	84.067652
"1601533"	500.050928	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+K+HCOOH"	84.968628
"1429742"	530.082438	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+H+CF3COOH"	115.000138
"1159665"	270.088251	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+3ACN+2H"	125.094202
"1705934"	547.108985	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+NH4+CF3COOH"	132.026685
"1647055"	552.06438	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+Na+CF3COOH"	136.98208
"1582705"	568.03832	"C12471"	"Chlorobiocic acid"	"C21H18ClNO6"	"415.0823"	"M+K+CF3COOH"	152.95602
"803229"	575.1558	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M"	0
"975665"	556.13741	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-H2O-H"	-19.01839
"66100"	382.429924	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M-3H"	-3.021828
"512223"	574.148524	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M-3H"	-3.021828
"882370"	190.711324	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-3H"	-3.021828
"2037"	574.148524	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M-2H"	-2.014552
"448161"	861.726424	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M-2H"	-2.014552
"823780"	286.570624	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-2H"	-2.014552
"83771"	1149.304324	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M-H"	-1.007276
"529892"	1724.460124	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M-H"	-1.007276
"907695"	574.148524	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-H"	-1.007276
"51135"	1166.330871	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M-2H+NH4"	16.019271
"491787"	1741.486671	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M-2H+NH4"	16.019271
"868499"	591.175071	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-2H+NH4"	16.019271
"45518"	1171.286266	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M-2H+Na"	20.974666
"483254"	1746.442066	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M-2H+Na"	20.974666
"861420"	596.130466	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-2H+Na"	20.974666
"1629863"	596.130466	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Na-2H"	20.974666
"97644"	592.136863	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M-H+Cl"	33.962126
"540484"	879.714763	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M-H+Cl"	33.962126
"931810"	304.558963	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-H+Cl"	33.962126
"267933"	1185.281002	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+Cl"	34.969402
"661083"	1760.436802	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+Cl"	34.969402
"1274097"	610.125202	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Cl"	34.969402
"19935"	1187.260206	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M-2H+K"	36.948606
"459494"	1762.416006	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M-2H+K"	36.948606
"837295"	612.104406	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-2H+K"	36.948606
"1556772"	612.104406	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+K-2H"	36.948606
"943320"	620.153994	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-H+HCOOH"	44.998194
"370170"	1195.309801	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+HCOOH-H"	44.998201
"352959"	1209.325451	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+Hac-H"	59.013851
"1500335"	634.169651	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Hac-H"	59.013851
"964598"	642.135951	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-H+NaCOOH"	66.980151
"114963"	610.125202	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+2Cl"	69.938804
"560001"	897.703102	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+2Cl"	69.938804
"1030982"	322.547302	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2Cl"	69.938804
"1245822"	654.074685	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Br"	78.918885
"1310093"	656.130672	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Cl+HCOOH"	80.974872
"1323213"	678.112629	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Cl+NaCOOH"	102.956829
"915001"	688.141386	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M-H+CF3COOH"	112.985586
"1299367"	724.118064	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Cl+CF3COOH"	148.962264
"1374246"	540.143124	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H-2H2O"	-35.012676
"1386639"	558.1531	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H-H2O"	-17.0027
"284870"	1151.318876	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+H"	1.007276
"678384"	1726.474676	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+H"	1.007276
"1353276"	576.163076	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H"	1.007276
"128720"	576.163076	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+2H"	2.014552
"565697"	863.740976	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+2H"	2.014552
"1044735"	288.585176	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2H"	2.014552
"211543"	384.444476	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+3H"	3.021828
"656577"	576.163076	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+3H"	3.021828
"1171418"	192.725876	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+3H"	3.021828
"439443"	1168.345423	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+NH4"	18.033823
"800438"	1743.501223	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+NH4"	18.033823
"1696900"	593.189623	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+NH4"	18.033823
"345381"	584.6763495	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+H+NH4"	19.041099
"738326"	872.2542495	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+H+NH4"	19.041099
"1492617"	297.0984495	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H+NH4"	19.041099
"408270"	1173.300818	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+Na"	22.989218
"768409"	1748.456618	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+Na"	22.989218
"1617603"	598.145018	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Na"	22.989218
"329593"	587.154047	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+H+Na"	23.996494
"722490"	874.731947	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+H+Na"	23.996494
"1475338"	299.576147	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H+Na"	23.996494
"1067851"	200.05319	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2H+Na"	25.00377
"1271719"	608.189286	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+CH3OH+H"	33.033486
"392122"	1189.274758	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+K"	38.963158
"753477"	1764.430558	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+K"	38.963158
"1554798"	614.118958	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+K"	38.963158
"313433"	595.141017	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+H+K"	39.970434
"705492"	882.718917	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+H+K"	39.970434
"1456030"	307.563117	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H+K"	39.970434
"246818"	1192.345426	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+ACN+H"	42.033826
"1219524"	617.189626	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+ACN+H"	42.033826
"1204498"	309.098451	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+ACN+2H"	43.041102
"200656"	1195.28276	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+2Na-H"	44.97116
"638036"	1770.43856	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+2Na-H"	44.97116
"1142633"	620.12696	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2Na-H"	44.97116
"183740"	598.145018	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+2Na"	45.978436
"624391"	885.722918	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+2Na"	45.978436
"1124981"	310.567118	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2Na"	45.978436
"1404860"	207.380504	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H+2Na"	46.985712
"1436247"	622.168546	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H+HCOOH"	47.012746
"221323"	603.17804	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+3H2O+2H"	56.04448
"1512545"	636.22059	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+IsoProp+H"	61.06479
"408561"	606.131988	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+Na+K"	61.952376
"770172"	893.709888	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+Na+K"	61.952376
"1666636"	318.554088	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Na+K"	61.952376
"252795"	1214.327368	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+ACN+Na"	64.015768
"1225658"	639.171568	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+ACN+Na"	64.015768
"1713050"	639.195093	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+NH4+HCOOH"	64.039293
"1179500"	214.707818	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+3Na"	68.967654
"1650363"	644.150488	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Na+HCOOH"	68.994688
"157954"	1227.23064	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+2K-H"	76.91904
"600072"	1802.38644	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+2K-H"	76.91904
"1088232"	652.07484	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2K-H"	76.91904
"156847"	614.118958	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"2M+2K"	77.926316
"596167"	901.696858	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"3M+2K"	77.926316
"1083591"	326.541058	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2K"	77.926316
"1114373"	654.089392	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2K+H"	78.933592
"1350393"	654.177007	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+DMSO+H"	79.021207
"1018194"	658.216176	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2ACN+H"	83.060376
"1535226"	659.209808	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+IsoProp+Na+H"	84.054008
"1004833"	329.611726	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+2ACN+2H"	84.067652
"1599456"	660.124428	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+K+HCOOH"	84.968628
"1427300"	690.155938	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+H+CF3COOH"	115.000138
"1157588"	350.125001	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+3ACN+2H"	125.094202
"1703858"	707.182485	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+NH4+CF3COOH"	132.026685
"1647165"	712.13788	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+Na+CF3COOH"	136.98208
"1582815"	728.11182	"C12472"	"Novclobiocin 105"	"C28H30ClNO10"	"575.1558"	"M+K+CF3COOH"	152.95602
"804432"	589.1715	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M"	0
"975411"	570.15311	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-H2O-H"	-19.01839
"67303"	391.773724	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M-3H"	-3.021828
"512333"	588.164224	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M-3H"	-3.021828
"882480"	195.383224	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-3H"	-3.021828
"2147"	588.164224	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M-2H"	-2.014552
"440978"	882.749974	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M-2H"	-2.014552
"817314"	293.578474	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-2H"	-2.014552
"83881"	1177.335724	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M-H"	-1.007276
"522347"	1766.507224	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M-H"	-1.007276
"904525"	588.164224	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-H"	-1.007276
"50516"	1194.362271	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M-2H+NH4"	16.019271
"490804"	1783.533771	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M-2H+NH4"	16.019271
"865329"	605.190771	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-2H+NH4"	16.019271
"43077"	1199.317666	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M-2H+Na"	20.974666
"483364"	1788.489166	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M-2H+Na"	20.974666
"861166"	610.146166	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-2H+Na"	20.974666
"1628880"	610.146166	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Na-2H"	20.974666
"96661"	606.152563	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M-H+Cl"	33.962126
"537314"	900.738313	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M-H+Cl"	33.962126
"930827"	311.566813	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-H+Cl"	33.962126
"267312"	1213.312402	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+Cl"	34.969402
"660951"	1802.483902	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+Cl"	34.969402
"1273638"	624.140902	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Cl"	34.969402
"20045"	1215.291606	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M-2H+K"	36.948606
"459604"	1804.463106	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M-2H+K"	36.948606
"838498"	626.120106	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-2H+K"	36.948606
"1557611"	626.120106	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+K-2H"	36.948606
"943591"	634.169694	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-H+HCOOH"	44.998194
"370280"	1223.341201	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+HCOOH-H"	44.998201
"353069"	1237.356851	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+Hac-H"	59.013851
"1500810"	648.185351	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Hac-H"	59.013851
"965073"	656.151651	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-H+NaCOOH"	66.980151
"115803"	624.140902	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+2Cl"	69.938804
"557924"	918.726652	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+2Cl"	69.938804
"1027812"	329.555152	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2Cl"	69.938804
"1245568"	668.090385	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Br"	78.918885
"1312025"	670.146372	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Cl+HCOOH"	80.974872
"1323323"	692.128329	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Cl+NaCOOH"	102.956829
"914747"	702.157086	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M-H+CF3COOH"	112.985586
"1299477"	738.133764	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Cl+CF3COOH"	148.962264
"1374356"	554.158824	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H-2H2O"	-35.012676
"1386385"	572.1688	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H-H2O"	-17.0027
"284977"	1179.350276	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+H"	1.007276
"678494"	1768.521776	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+H"	1.007276
"1353020"	590.178776	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H"	1.007276
"125813"	590.178776	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+2H"	2.014552
"565902"	884.764526	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+2H"	2.014552
"1047033"	295.593026	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2H"	2.014552
"210560"	393.788276	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+3H"	3.021828
"657780"	590.178776	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+3H"	3.021828
"1171527"	197.397776	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+3H"	3.021828
"439800"	1196.376823	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+NH4"	18.033823
"801114"	1785.548323	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+NH4"	18.033823
"1696942"	607.205323	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+NH4"	18.033823
"345535"	598.6920495	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+H+NH4"	19.041099
"738466"	893.2777995	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+H+NH4"	19.041099
"1492604"	304.1062995	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H+NH4"	19.041099
"407527"	1201.332218	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+Na"	22.989218
"767791"	1790.503718	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+Na"	22.989218
"1617712"	612.160718	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Na"	22.989218
"327749"	601.169747	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+H+Na"	23.996494
"722602"	895.755497	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+H+Na"	23.996494
"1475083"	306.583997	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H+Na"	23.996494
"1068461"	204.72509	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2H+Na"	25.00377
"1271100"	622.204986	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+CH3OH+H"	33.033486
"391503"	1217.306158	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+K"	38.963158
"753951"	1806.477658	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+K"	38.963158
"1552722"	628.134658	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+K"	38.963158
"312814"	609.156717	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+H+K"	39.970434
"704509"	903.742467	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+H+K"	39.970434
"1455047"	314.570967	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H+K"	39.970434
"242553"	1220.376826	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+ACN+H"	42.033826
"1218541"	631.205326	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+ACN+H"	42.033826
"1204608"	316.106301	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+ACN+2H"	43.041102
"201495"	1223.31416	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+2Na-H"	44.97116
"640333"	1812.48566	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+2Na-H"	44.97116
"1140557"	634.14266	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2Na-H"	44.97116
"183485"	612.160718	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+2Na"	45.978436
"623408"	906.746468	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+2Na"	45.978436
"1123998"	317.574968	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2Na"	45.978436
"1405335"	212.052404	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H+2Na"	46.985712
"1435264"	636.184246	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H+HCOOH"	47.012746
"220293"	617.19374	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+3H2O+2H"	56.04448
"1512655"	650.23629	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+IsoProp+H"	61.06479
"409788"	620.147688	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+Na+K"	61.952376
"770782"	914.733438	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+Na+K"	61.952376
"1666180"	325.561938	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Na+K"	61.952376
"253268"	1242.358768	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+ACN+Na"	64.015768
"1225771"	653.187268	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+ACN+Na"	64.015768
"1713882"	653.210793	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+NH4+HCOOH"	64.039293
"1179363"	219.379718	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+3Na"	68.967654
"1650190"	658.166188	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Na+HCOOH"	68.994688
"158429"	1255.26204	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+2K-H"	76.91904
"601275"	1844.43354	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+2K-H"	76.91904
"1087614"	666.09054	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2K-H"	76.91904
"155007"	628.134658	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"2M+2K"	77.926316
"596925"	922.720408	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"3M+2K"	77.926316
"1083701"	333.548908	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2K"	77.926316
"1114358"	668.105092	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2K+H"	78.933592
"1349775"	668.192707	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+DMSO+H"	79.021207
"1020368"	672.231876	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2ACN+H"	83.060376
"1534243"	673.225508	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+IsoProp+Na+H"	84.054008
"1003970"	336.619576	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+2ACN+2H"	84.067652
"1602116"	674.140128	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+K+HCOOH"	84.968628
"1427410"	704.171638	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+H+CF3COOH"	115.000138
"1157698"	357.132851	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+3ACN+2H"	125.094202
"1701781"	721.198185	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+NH4+CF3COOH"	132.026685
"1647275"	726.15358	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+Na+CF3COOH"	136.98208
"1582925"	742.12752	"C12473"	"Novclobiocin 104"	"C29H32ClNO10"	"589.1715"	"M+K+CF3COOH"	152.95602
"804542"	395.1369	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M"	0
"974956"	376.11851	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-H2O-H"	-19.01839
"70693"	262.417324	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M-3H"	-3.021828
"512443"	394.129624	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M-3H"	-3.021828
"882590"	130.705024	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-3H"	-3.021828
"2257"	394.129624	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M-2H"	-2.014552
"444004"	591.698074	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M-2H"	-2.014552
"818036"	196.561174	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-2H"	-2.014552
"86177"	789.266524	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M-H"	-1.007276
"524643"	1184.403424	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M-H"	-1.007276
"905730"	394.129624	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-H"	-1.007276
"51355"	806.293071	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M-2H+NH4"	16.019271
"493101"	1201.429971	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M-2H+NH4"	16.019271
"868719"	411.156171	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-2H+NH4"	16.019271
"42093"	811.248466	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M-2H+Na"	20.974666
"482017"	1206.385366	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M-2H+Na"	20.974666
"859819"	416.111566	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-2H+Na"	20.974666
"1628989"	416.111566	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Na-2H"	20.974666
"95678"	412.117963	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M-H+Cl"	33.962126
"536330"	609.686413	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M-H+Cl"	33.962126
"933124"	214.549513	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-H+Cl"	33.962126
"267548"	825.243202	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+Cl"	34.969402
"660940"	1220.380102	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+Cl"	34.969402
"1273587"	430.106302	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Cl"	34.969402
"21248"	827.222406	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M-2H+K"	36.948606
"459714"	1222.359306	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M-2H+K"	36.948606
"836421"	432.085506	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-2H+K"	36.948606
"1556749"	432.085506	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+K-2H"	36.948606
"942810"	440.135094	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-H+HCOOH"	44.998194
"363456"	835.272001	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+HCOOH-H"	44.998201
"354273"	849.287651	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+Hac-H"	59.013851
"1499827"	454.150751	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Hac-H"	59.013851
"964090"	462.117051	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-H+NaCOOH"	66.980151
"115549"	430.106302	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+2Cl"	69.938804
"556938"	627.674752	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+2Cl"	69.938804
"1025735"	232.537852	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2Cl"	69.938804
"1250781"	474.055785	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Br"	78.918885
"1311040"	476.111772	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Cl+HCOOH"	80.974872
"1323069"	498.093729	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Cl+NaCOOH"	102.956829
"914493"	508.122486	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M-H+CF3COOH"	112.985586
"1293024"	544.099164	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Cl+CF3COOH"	148.962264
"1374467"	360.124224	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H-2H2O"	-35.012676
"1386859"	378.1342	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H-H2O"	-17.0027
"283628"	791.281076	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+H"	1.007276
"678604"	1186.417976	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+H"	1.007276
"1351785"	396.144176	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H"	1.007276
"126378"	396.144176	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+2H"	2.014552
"566434"	593.712626	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+2H"	2.014552
"1041674"	198.575726	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2H"	2.014552
"212860"	264.431876	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+3H"	3.021828
"655703"	396.144176	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+3H"	3.021828
"1169451"	132.719576	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+3H"	3.021828
"439548"	808.307623	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+NH4"	18.033823
"801230"	1203.444523	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+NH4"	18.033823
"1697004"	413.170723	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+NH4"	18.033823
"345672"	404.6574495	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+H+NH4"	19.041099
"738176"	602.2258995	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+H+NH4"	19.041099
"1492365"	207.0889995	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H+NH4"	19.041099
"406911"	813.263018	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+Na"	22.989218
"768266"	1208.399918	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+Na"	22.989218
"1617337"	418.126118	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Na"	22.989218
"329807"	407.135147	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+H+Na"	23.996494
"722549"	604.703597	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+H+Na"	23.996494
"1474950"	209.566697	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H+Na"	23.996494
"1066979"	140.04689	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2H+Na"	25.00377
"1271089"	428.170386	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+CH3OH+H"	33.033486
"390882"	829.236958	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+K"	38.963158
"750782"	1224.373858	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+K"	38.963158
"1553197"	434.100058	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+K"	38.963158
"312196"	415.122117	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+H+K"	39.970434
"704619"	612.690567	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+H+K"	39.970434
"1456980"	217.553667	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H+K"	39.970434
"244850"	832.307626	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+ACN+H"	42.033826
"1220836"	437.170726	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+ACN+H"	42.033826
"1203624"	219.089001	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+ACN+2H"	43.041102
"201244"	835.24496	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+2Na-H"	44.97116
"638255"	1230.38186	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+2Na-H"	44.97116
"1138846"	440.10806	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2Na-H"	44.97116
"184688"	418.126118	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+2Na"	45.978436
"622425"	615.694568	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+2Na"	45.978436
"1122650"	220.557668	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2Na"	45.978436
"1401800"	147.374204	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H+2Na"	46.985712
"1437196"	442.149646	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H+HCOOH"	47.012746
"220024"	423.15914	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+3H2O+2H"	56.04448
"1508748"	456.20169	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+IsoProp+H"	61.06479
"409043"	426.113088	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+Na+K"	61.952376
"769959"	623.681538	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+Na+K"	61.952376
"1666168"	228.544638	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Na+K"	61.952376
"252286"	854.289568	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+ACN+Na"	64.015768
"1225623"	459.152668	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+ACN+Na"	64.015768
"1714599"	459.176193	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+NH4+HCOOH"	64.039293
"1178482"	154.701518	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+3Na"	68.967654
"1652044"	464.131588	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Na+HCOOH"	68.994688
"157141"	867.19284	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+2K-H"	76.91904
"599928"	1262.32974	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+2K-H"	76.91904
"1088453"	472.05594	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2K-H"	76.91904
"151837"	434.100058	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"2M+2K"	77.926316
"592491"	631.668508	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"3M+2K"	77.926316
"1083690"	236.531608	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2K"	77.926316
"1112403"	474.070492	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2K+H"	78.933592
"1349765"	474.158107	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+DMSO+H"	79.021207
"1020358"	478.197276	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2ACN+H"	83.060376
"1534354"	479.190908	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+IsoProp+Na+H"	84.054008
"1004080"	239.602276	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+2ACN+2H"	84.067652
"1600039"	480.105528	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+K+HCOOH"	84.968628
"1427156"	510.137038	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+H+CF3COOH"	115.000138
"1157808"	260.115551	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+3ACN+2H"	125.094202
"1704077"	527.163585	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+NH4+CF3COOH"	132.026685
"1647385"	532.11898	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+Na+CF3COOH"	136.98208
"1583035"	548.09292	"C12474"	"Novobiocic acid"	"C22H21NO6"	"395.1369"	"M+K+CF3COOH"	152.95602
"804652"	555.2104	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M"	0
"983655"	536.19201	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-H2O-H"	-19.01839
"76275"	369.132990666667	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M-3H"	-3.021828
"512553"	554.203124	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M-3H"	-3.021828
"881970"	184.062857333333	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-3H"	-3.021828
"8929"	554.203124	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M-2H"	-2.014552
"443022"	831.808324	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M-2H"	-2.014552
"820090"	276.597924	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-2H"	-2.014552
"87382"	1109.413524	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M-H"	-1.007276
"531320"	1664.623924	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M-H"	-1.007276
"906933"	554.203124	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-H"	-1.007276
"53655"	1126.440071	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M-2H+NH4"	16.019271
"491028"	1681.650471	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M-2H+NH4"	16.019271
"871015"	571.229671	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-2H+NH4"	16.019271
"42928"	1131.395466	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M-2H+Na"	20.974666
"482860"	1686.605866	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M-2H+Na"	20.974666
"859568"	576.185066	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-2H+Na"	20.974666
"1630193"	576.185066	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Na-2H"	20.974666
"99071"	572.191463	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M-H+Cl"	33.962126
"537536"	849.796663	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M-H+Cl"	33.962126
"927524"	294.586263	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-H+Cl"	33.962126
"269605"	1145.390202	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+Cl"	34.969402
"667493"	1700.600602	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+Cl"	34.969402
"1276983"	590.179802	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Cl"	34.969402
"19171"	1147.369406	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M-2H+K"	36.948606
"457027"	1702.579806	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M-2H+K"	36.948606
"833493"	592.159006	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-2H+K"	36.948606
"1556735"	592.159006	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+K-2H"	36.948606
"943893"	600.208594	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-H+HCOOH"	44.998194
"370501"	1155.419001	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+HCOOH-H"	44.998201
"352197"	1169.434651	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+Hac-H"	59.013851
"1503953"	614.224251	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Hac-H"	59.013851
"966389"	622.190551	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-H+NaCOOH"	66.980151
"114564"	590.179802	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+2Cl"	69.938804
"554488"	867.785002	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+2Cl"	69.938804
"1028036"	312.574602	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2Cl"	69.938804
"1250894"	634.129285	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Br"	78.918885
"1317352"	636.185272	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Cl+HCOOH"	80.974872
"1330839"	658.167229	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Cl+NaCOOH"	102.956829
"924811"	668.195986	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M-H+CF3COOH"	112.985586
"1302251"	704.172664	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Cl+CF3COOH"	148.962264
"1374577"	520.197724	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H-2H2O"	-35.012676
"1390981"	538.2077	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H-H2O"	-17.0027
"286293"	1111.428076	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+H"	1.007276
"684183"	1666.638476	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+H"	1.007276
"1353972"	556.217676	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H"	1.007276
"127347"	556.217676	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+2H"	2.014552
"566295"	833.822876	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+2H"	2.014552
"1039597"	278.612476	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2H"	2.014552
"204577"	371.147542666667	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+3H"	3.021828
"644780"	556.217676	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+3H"	3.021828
"1167371"	186.077409333333	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+3H"	3.021828
"439619"	1128.454623	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+NH4"	18.033823
"800649"	1683.665023	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+NH4"	18.033823
"1696581"	573.244223	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+NH4"	18.033823
"344899"	564.7309495	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+H+NH4"	19.041099
"737564"	842.3361495	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+H+NH4"	19.041099
"1490896"	287.1257495	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H+NH4"	19.041099
"404829"	1133.410018	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+Na"	22.989218
"764367"	1688.620418	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+Na"	22.989218
"1614652"	578.199618	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Na"	22.989218
"328701"	567.208647	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+H+Na"	23.996494
"721004"	844.813847	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+H+Na"	23.996494
"1474211"	289.603447	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H+Na"	23.996494
"1067220"	193.404723333333	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2H+Na"	25.00377
"1271895"	588.243886	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+CH3OH+H"	33.033486
"391965"	1149.383958	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+K"	38.963158
"753447"	1704.594358	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+K"	38.963158
"1554039"	594.173558	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+K"	38.963158
"312309"	575.195617	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+H+K"	39.970434
"705823"	852.800817	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+H+K"	39.970434
"1459279"	297.590417	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H+K"	39.970434
"250068"	1152.454626	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+ACN+H"	42.033826
"1220951"	597.244226	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+ACN+H"	42.033826
"1205923"	299.125751	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+ACN+2H"	43.041102
"200988"	1155.39196	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+2Na-H"	44.97116
"638366"	1710.60236	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+2Na-H"	44.97116
"1140414"	600.18156	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2Na-H"	44.97116
"185891"	578.199618	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+2Na"	45.978436
"618526"	855.804818	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+2Na"	45.978436
"1128227"	300.594418	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2Na"	45.978436
"1408469"	200.732037333333	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H+2Na"	46.985712
"1440587"	602.223146	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H+HCOOH"	47.012746
"225907"	583.23264	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+3H2O+2H"	56.04448
"1513968"	616.27519	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+IsoProp+H"	61.06479
"409522"	586.186588	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+Na+K"	61.952376
"772464"	863.791788	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+Na+K"	61.952376
"1669886"	308.581388	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Na+K"	61.952376
"251445"	1174.436568	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+ACN+Na"	64.015768
"1228023"	619.226168	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+ACN+Na"	64.015768
"1716184"	619.249693	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+NH4+HCOOH"	64.039293
"1180442"	208.059351333333	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+3Na"	68.967654
"1651426"	624.205088	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Na+HCOOH"	68.994688
"162301"	1187.33984	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+2K-H"	76.91904
"605142"	1742.55024	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+2K-H"	76.91904
"1091843"	632.12944	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2K-H"	76.91904
"153037"	594.173558	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"2M+2K"	77.926316
"591514"	871.778758	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"3M+2K"	77.926316
"1081490"	316.568358	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2K"	77.926316
"1111787"	634.143992	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2K+H"	78.933592
"1348173"	634.231607	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+DMSO+H"	79.021207
"1016338"	638.270776	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2ACN+H"	83.060376
"1535923"	639.264408	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+IsoProp+Na+H"	84.054008
"1002003"	319.639026	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+2ACN+2H"	84.067652
"1599789"	640.179028	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+K+HCOOH"	84.968628
"1427633"	670.210538	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+H+CF3COOH"	115.000138
"1160836"	340.152301	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+3ACN+2H"	125.094202
"1709293"	687.237085	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+NH4+CF3COOH"	132.026685
"1648588"	692.19248	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+Na+CF3COOH"	136.98208
"1583145"	708.16642	"C12475"	"Demethyldecarbamoylnovobiocin"	"C29H33NO10"	"555.2104"	"M+K+CF3COOH"	152.95602
"810230"	569.2261	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M"	0
"983764"	550.20771	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-H2O-H"	-19.01839
"66538"	378.476790666667	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M-3H"	-3.021828
"506095"	568.218824	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M-3H"	-3.021828
"886091"	188.734757333333	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-3H"	-3.021828
"9039"	568.218824	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M-2H"	-2.014552
"445322"	852.831874	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M-2H"	-2.014552
"818748"	283.605774	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-2H"	-2.014552
"91139"	1137.444924	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M-H"	-1.007276
"528152"	1706.671024	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M-H"	-1.007276
"907046"	568.218824	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-H"	-1.007276
"53767"	1154.471471	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M-2H+NH4"	16.019271
"491138"	1723.697571	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M-2H+NH4"	16.019271
"871127"	585.245371	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-2H+NH4"	16.019271
"42309"	1159.426866	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M-2H+Na"	20.974666
"479693"	1728.652966	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M-2H+Na"	20.974666
"860408"	590.200766	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-2H+Na"	20.974666
"1629210"	590.200766	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Na-2H"	20.974666
"96266"	586.207163	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M-H+Cl"	33.962126
"537648"	870.820213	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M-H+Cl"	33.962126
"929339"	301.594113	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-H+Cl"	33.962126
"271903"	1173.421602	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+Cl"	34.969402
"666511"	1742.647702	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+Cl"	34.969402
"1273078"	604.195502	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Cl"	34.969402
"18553"	1175.400806	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M-2H+K"	36.948606
"457136"	1744.626906	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M-2H+K"	36.948606
"834451"	606.174706	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-2H+K"	36.948606
"1557938"	606.174706	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+K-2H"	36.948606
"944731"	614.224294	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-H+HCOOH"	44.998194
"372797"	1183.450401	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+HCOOH-H"	44.998201
"354493"	1197.466051	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+Hac-H"	59.013851
"1504427"	628.239951	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Hac-H"	59.013851
"969416"	636.206251	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-H+NaCOOH"	66.980151
"119777"	604.195502	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+2Cl"	69.938804
"554598"	888.808552	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+2Cl"	69.938804
"1030333"	319.582452	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2Cl"	69.938804
"1253191"	648.144985	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Br"	78.918885
"1319287"	650.200972	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Cl+HCOOH"	80.974872
"1333865"	672.182929	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Cl+NaCOOH"	102.956829
"923098"	682.211686	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M-H+CF3COOH"	112.985586
"1303941"	718.188364	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Cl+CF3COOH"	148.962264
"1372135"	534.213424	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H-2H2O"	-35.012676
"1391091"	552.2234	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H-H2O"	-17.0027
"287860"	1139.459476	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+H"	1.007276
"685386"	1708.685576	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+H"	1.007276
"1357362"	570.233376	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H"	1.007276
"128063"	570.233376	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+2H"	2.014552
"566893"	854.846426	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+2H"	2.014552
"1037515"	285.620326	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2H"	2.014552
"204308"	380.491342666667	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+3H"	3.021828
"644607"	570.233376	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+3H"	3.021828
"1166388"	190.749309333333	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+3H"	3.021828
"439645"	1156.486023	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+NH4"	18.033823
"801001"	1725.712123	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+NH4"	18.033823
"1696125"	587.259923	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+NH4"	18.033823
"344526"	578.7466495	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+H+NH4"	19.041099
"737432"	863.3596995	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+H+NH4"	19.041099
"1491371"	294.1335995	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H+NH4"	19.041099
"406399"	1161.441418	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+Na"	22.989218
"766665"	1730.667518	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+Na"	22.989218
"1615857"	592.215318	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Na"	22.989218
"329057"	581.224347	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+H+Na"	23.996494
"721963"	865.837397	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+H+Na"	23.996494
"1474321"	296.611297	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H+Na"	23.996494
"1067817"	198.076623333333	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2H+Na"	25.00377
"1272051"	602.259586	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+CH3OH+H"	33.033486
"391958"	1177.415358	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+K"	38.963158
"752105"	1746.641458	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+K"	38.963158
"1554884"	608.189258	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+K"	38.963158
"312423"	589.211317	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+H+K"	39.970434
"706300"	873.824367	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+H+K"	39.970434
"1460847"	304.598267	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H+K"	39.970434
"250183"	1180.486026	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+ACN+H"	42.033826
"1223614"	611.259926	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+ACN+H"	42.033826
"1203849"	306.133601	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+ACN+2H"	43.041102
"201827"	1183.42336	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+2Na-H"	44.97116
"635560"	1752.64946	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+2Na-H"	44.97116
"1142710"	614.19726	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2Na-H"	44.97116
"184178"	592.215318	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+2Na"	45.978436
"624833"	876.828368	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+2Na"	45.978436
"1122870"	307.602268	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2Na"	45.978436
"1409673"	205.403937333333	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H+2Na"	46.985712
"1441791"	616.238846	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H+HCOOH"	47.012746
"223830"	597.24834	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+3H2O+2H"	56.04448
"1510799"	630.29089	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+IsoProp+H"	61.06479
"409629"	600.202288	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+Na+K"	61.952376
"772573"	884.815338	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+Na+K"	61.952376
"1668905"	315.589238	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Na+K"	61.952376
"251900"	1202.467968	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+ACN+Na"	64.015768
"1226427"	633.241868	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+ACN+Na"	64.015768
"1713006"	633.265393	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+NH4+HCOOH"	64.039293
"1180552"	212.731251333333	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+3Na"	68.967654
"1651171"	638.220788	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Na+HCOOH"	68.994688
"160224"	1215.37124	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+2K-H"	76.91904
"600881"	1784.59734	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+2K-H"	76.91904
"1088674"	646.14514	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2K-H"	76.91904
"156186"	608.189258	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"2M+2K"	77.926316
"593809"	892.802308	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"3M+2K"	77.926316
"1081601"	323.576208	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2K"	77.926316
"1111535"	648.159692	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2K+H"	78.933592
"1345369"	648.247307	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+DMSO+H"	79.021207
"1015354"	652.286476	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2ACN+H"	83.060376
"1535668"	653.280108	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+IsoProp+Na+H"	84.054008
"1002481"	326.646876	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+2ACN+2H"	84.067652
"1599898"	654.194728	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+K+HCOOH"	84.968628
"1428474"	684.226238	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+H+CF3COOH"	115.000138
"1160582"	347.160151	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+3ACN+2H"	125.094202
"1709039"	701.252785	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+NH4+CF3COOH"	132.026685
"1644324"	706.20818	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+Na+CF3COOH"	136.98208
"1583255"	722.18212	"C12476"	"Decarbamoylnovobiocin"	"C30H35NO10"	"569.2261"	"M+K+CF3COOH"	152.95602
"810340"	169.0375	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M"	0
"983874"	150.01911	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-H2O-H"	-19.01839
"69929"	111.684390666667	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M-3H"	-3.021828
"510582"	168.030224	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M-3H"	-3.021828
"886202"	55.3385573333333	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-3H"	-3.021828
"6962"	168.030224	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M-2H"	-2.014552
"445432"	252.548974	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M-2H"	-2.014552
"818858"	83.511474	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-2H"	-2.014552
"84319"	337.067724	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M-H"	-1.007276
"530082"	506.105224	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M-H"	-1.007276
"903874"	168.030224	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-H"	-1.007276
"47796"	354.094271	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M-2H+NH4"	16.019271
"489420"	523.131771	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M-2H+NH4"	16.019271
"866858"	185.056771	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-2H+NH4"	16.019271
"39139"	359.049666	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M-2H+Na"	20.974666
"481986"	528.087166	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M-2H+Na"	20.974666
"860879"	190.012166	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-2H+Na"	20.974666
"1628224"	190.012166	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Na-2H"	20.974666
"101473"	186.018563	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M-H+Cl"	33.962126
"539944"	270.537313	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M-H+Cl"	33.962126
"930178"	101.499813	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-H+Cl"	33.962126
"269826"	373.044402	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+Cl"	34.969402
"664434"	542.081902	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+Cl"	34.969402
"1273551"	204.006902	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Cl"	34.969402
"17081"	375.023606	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M-2H+K"	36.948606
"458217"	544.061106	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M-2H+K"	36.948606
"834562"	205.986106	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-2H+K"	36.948606
"1555603"	205.986106	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+K-2H"	36.948606
"943502"	214.035694	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-H+HCOOH"	44.998194
"372543"	383.073201	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+HCOOH-H"	44.998201
"352417"	397.088851	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+Hac-H"	59.013851
"1505995"	228.051351	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Hac-H"	59.013851
"969525"	236.017651	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-H+NaCOOH"	66.980151
"117701"	204.006902	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+2Cl"	69.938804
"553615"	288.525652	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+2Cl"	69.938804
"1027161"	119.488152	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2Cl"	69.938804
"1251115"	247.956385	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Br"	78.918885
"1314656"	250.012372	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Cl+HCOOH"	80.974872
"1331057"	271.994329	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Cl+NaCOOH"	102.956829
"917740"	282.023086	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M-H+CF3COOH"	112.985586
"1298823"	317.999764	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Cl+CF3COOH"	148.962264
"1372245"	134.024824	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H-2H2O"	-35.012676
"1387189"	152.0348	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H-H2O"	-17.0027
"285053"	339.082276	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+H"	1.007276
"682216"	508.119776	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+H"	1.007276
"1353460"	170.044776	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H"	1.007276
"128538"	170.044776	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+2H"	2.014552
"566759"	254.563526	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+2H"	2.014552
"1039085"	85.526026	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2H"	2.014552
"205279"	113.698942666667	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+3H"	3.021828
"645078"	170.044776	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+3H"	3.021828
"1162892"	57.3531093333333	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+3H"	3.021828
"439755"	356.108823	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+NH4"	18.033823
"801290"	525.146323	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+NH4"	18.033823
"1696477"	187.071323	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+NH4"	18.033823
"344756"	178.5580495	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+H+NH4"	19.041099
"738432"	263.0767995	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+H+NH4"	19.041099
"1491843"	94.0392995	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H+NH4"	19.041099
"408131"	361.064218	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+Na"	22.989218
"768962"	530.101718	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+Na"	22.989218
"1618197"	192.026718	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Na"	22.989218
"329283"	181.035747	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+H+Na"	23.996494
"722722"	265.554497	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+H+Na"	23.996494
"1471150"	96.516997	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H+Na"	23.996494
"1060021"	64.6804233333333	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2H+Na"	25.00377
"1269355"	202.070986	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+CH3OH+H"	33.033486
"392705"	377.038158	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+K"	38.963158
"753991"	546.075658	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+K"	38.963158
"1555352"	208.000658	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+K"	38.963158
"312900"	189.022717	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+H+K"	39.970434
"706409"	273.541467	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+H+K"	39.970434
"1460230"	104.503967	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H+K"	39.970434
"250288"	380.108826	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+ACN+H"	42.033826
"1222265"	211.071326	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+ACN+H"	42.033826
"1201772"	106.039301	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+ACN+2H"	43.041102
"201572"	383.04616	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+2Na-H"	44.97116
"635306"	552.08366	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+2Na-H"	44.97116
"1140998"	214.00866	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2Na-H"	44.97116
"183195"	192.026718	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+2Na"	45.978436
"623850"	276.545468	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+2Na"	45.978436
"1122980"	107.507968	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2Na"	45.978436
"1409783"	72.0077373333333	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H+2Na"	46.985712
"1444088"	216.050246	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H+HCOOH"	47.012746
"221753"	197.05974	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+3H2O+2H"	56.04448
"1509936"	230.10229	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+IsoProp+H"	61.06479
"409862"	200.013688	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+Na+K"	61.952376
"771709"	284.532438	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+Na+K"	61.952376
"1669016"	115.494938	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Na+K"	61.952376
"253347"	402.090768	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+ACN+Na"	64.015768
"1227023"	233.053268	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+ACN+Na"	64.015768
"1714573"	233.076793	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+NH4+HCOOH"	64.039293
"1181754"	79.3350513333333	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+3Na"	68.967654
"1653466"	238.032188	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Na+HCOOH"	68.994688
"161427"	414.99404	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+2K-H"	76.91904
"599897"	584.03154	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+2K-H"	76.91904
"1087690"	245.95654	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2K-H"	76.91904
"154351"	208.000658	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"2M+2K"	77.926316
"593552"	292.519408	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"3M+2K"	77.926316
"1081349"	123.481908	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2K"	77.926316
"1112369"	247.971092	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2K+H"	78.933592
"1345843"	248.058707	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+DMSO+H"	79.021207
"1012184"	252.097876	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2ACN+H"	83.060376
"1533590"	253.091508	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+IsoProp+Na+H"	84.054008
"1000038"	126.552576	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+2ACN+2H"	84.067652
"1600010"	254.006128	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+K+HCOOH"	84.968628
"1427854"	284.037638	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+H+CF3COOH"	115.000138
"1162152"	147.065851	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+3ACN+2H"	125.094202
"1707691"	301.064185	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+NH4+CF3COOH"	132.026685
"1645527"	306.01958	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+Na+CF3COOH"	136.98208
"1583365"	321.99352	"C12477"	"3-Methylpyrrole-24-dicarboxylic acid"	"C7H7NO4"	"169.0375"	"M+K+CF3COOH"	152.95602
"807169"	358.0801	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M"	0
"986171"	339.06171	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-H2O-H"	-19.01839
"74414"	237.712790666667	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M-3H"	-3.021828
"515067"	357.072824	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M-3H"	-3.021828
"888500"	118.352757333333	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-3H"	-3.021828
"10353"	357.072824	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M-2H"	-2.014552
"445541"	536.112874	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M-2H"	-2.014552
"823342"	178.032774	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-2H"	-2.014552
"86616"	715.152924	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M-H"	-1.007276
"523262"	1073.233024	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M-H"	-1.007276
"901794"	357.072824	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-H"	-1.007276
"49611"	732.179471	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M-2H+NH4"	16.019271
"489530"	1090.259571	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M-2H+NH4"	16.019271
"866606"	374.099371	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-2H+NH4"	16.019271
"40342"	737.134866	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M-2H+Na"	20.974666
"480639"	1095.214966	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M-2H+Na"	20.974666
"859532"	379.054766	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-2H+Na"	20.974666
"1627239"	379.054766	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Na-2H"	20.974666
"100487"	375.061163	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M-H+Cl"	33.962126
"540054"	554.101213	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M-H+Cl"	33.962126
"928829"	196.021113	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-H+Cl"	33.962126
"270301"	751.129602	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+Cl"	34.969402
"663450"	1109.209702	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+Cl"	34.969402
"1273539"	393.049502	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Cl"	34.969402
"16216"	753.108806	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M-2H+K"	36.948606
"456630"	1111.188906	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M-2H+K"	36.948606
"833945"	395.028706	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-2H+K"	36.948606
"1557309"	395.028706	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+K-2H"	36.948606
"944101"	403.078294	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-H+HCOOH"	44.998194
"369737"	761.158401	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+HCOOH-H"	44.998201
"353620"	775.174051	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+Hac-H"	59.013851
"1506834"	417.093951	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Hac-H"	59.013851
"966718"	425.060251	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-H+NaCOOH"	66.980151
"115625"	393.049502	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+2Cl"	69.938804
"553723"	572.089552	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+2Cl"	69.938804
"1032737"	214.009452	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2Cl"	69.938804
"1251224"	436.998985	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Br"	78.918885
"1317317"	439.054972	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Cl+HCOOH"	80.974872
"1332260"	461.036929	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Cl+NaCOOH"	102.956829
"917850"	471.065686	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M-H+CF3COOH"	112.985586
"1295653"	507.042364	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Cl+CF3COOH"	148.962264
"1368706"	323.067424	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H-2H2O"	-35.012676
"1386206"	341.0774	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H-H2O"	-17.0027
"285892"	717.167476	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+H"	1.007276
"682326"	1075.247576	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+H"	1.007276
"1354664"	359.087376	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H"	1.007276
"128648"	359.087376	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+2H"	2.014552
"566748"	538.127426	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+2H"	2.014552
"1039072"	180.047326	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2H"	2.014552
"204662"	239.727342666667	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+3H"	3.021828
"644324"	359.087376	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+3H"	3.021828
"1163570"	120.367309333333	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+3H"	3.021828
"439744"	734.194023	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+NH4"	18.033823
"800491"	1092.274123	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+NH4"	18.033823
"1696956"	376.113923	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+NH4"	18.033823
"345514"	367.6006495	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+H+NH4"	19.041099
"737765"	546.6406995	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+H+NH4"	19.041099
"1491468"	188.5605995	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H+NH4"	19.041099
"406621"	739.149418	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+Na"	22.989218
"766521"	1097.229518	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+Na"	22.989218
"1613889"	381.069318	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Na"	22.989218
"327572"	370.078347	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+H+Na"	23.996494
"719995"	549.118397	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+H+Na"	23.996494
"1471260"	191.038297	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H+Na"	23.996494
"1064506"	127.694623333333	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2H+Na"	25.00377
"1272144"	391.113586	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+CH3OH+H"	33.033486
"391687"	755.123358	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+K"	38.963158
"752682"	1113.203458	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+K"	38.963158
"1554734"	397.043258	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+K"	38.963158
"313131"	378.065317	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+H+K"	39.970434
"704332"	557.105367	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+H+K"	39.970434
"1458883"	199.025267	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H+K"	39.970434
"249672"	758.194026	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+ACN+H"	42.033826
"1223470"	400.113926	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+ACN+H"	42.033826
"1202974"	200.560601	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+ACN+2H"	43.041102
"200589"	761.13136	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+2Na-H"	44.97116
"635416"	1119.21146	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+2Na-H"	44.97116
"1141107"	403.05126	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2Na-H"	44.97116
"184398"	381.069318	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+2Na"	45.978436
"625054"	560.109368	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+2Na"	45.978436
"1129652"	202.029268	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2Na"	45.978436
"1410987"	135.021937333333	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H+2Na"	46.985712
"1443104"	405.092846	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H+HCOOH"	47.012746
"222957"	386.10234	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+3H2O+2H"	56.04448
"1513205"	419.14489	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+IsoProp+H"	61.06479
"413986"	389.056288	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+Na+K"	61.952376
"774981"	568.096338	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+Na+K"	61.952376
"1676779"	210.016238	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Na+K"	61.952376
"254553"	780.175968	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+ACN+Na"	64.015768
"1227258"	422.095868	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+ACN+Na"	64.015768
"1715048"	422.119393	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+NH4+HCOOH"	64.039293
"1180410"	142.349251333333	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+3Na"	68.967654
"1652487"	427.074788	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Na+HCOOH"	68.994688
"158741"	793.07924	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+2K-H"	76.91904
"602194"	1151.15934	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+2K-H"	76.91904
"1089985"	434.99914	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2K-H"	76.91904
"154461"	397.043258	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"2M+2K"	77.926316
"592933"	576.083308	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"3M+2K"	77.926316
"1081820"	218.003208	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2K"	77.926316
"1112115"	437.013692	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2K+H"	78.933592
"1344860"	437.101307	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+DMSO+H"	79.021207
"1012295"	441.140476	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2ACN+H"	83.060376
"1534794"	442.134108	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+IsoProp+Na+H"	84.054008
"1001242"	221.073876	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+2ACN+2H"	84.067652
"1600118"	443.048728	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+K+HCOOH"	84.968628
"1427963"	473.080238	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+H+CF3COOH"	115.000138
"1162261"	241.587151	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+3ACN+2H"	125.094202
"1707801"	490.106785	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+NH4+CF3COOH"	132.026685
"1645637"	495.06218	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+Na+CF3COOH"	136.98208
"1583475"	511.03612	"C12478"	"Coumeroic acid"	"C17H14N2O7"	"358.0801"	"M+K+CF3COOH"	152.95602
"810560"	547.1227	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M"	0
"986281"	528.10431	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-H2O-H"	-19.01839
"74524"	363.741190666667	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M-3H"	-3.021828
"514813"	546.115424	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M-3H"	-3.021828
"888610"	181.366957333333	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-3H"	-3.021828
"11557"	546.115424	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M-2H"	-2.014552
"443829"	819.676774	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M-2H"	-2.014552
"824545"	272.554074	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-2H"	-2.014552
"83810"	1093.238124	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M-H"	-1.007276
"524103"	1640.360824	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M-H"	-1.007276
"905184"	546.115424	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-H"	-1.007276
"54097"	1110.264671	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M-2H+NH4"	16.019271
"492561"	1657.387371	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M-2H+NH4"	16.019271
"867083"	563.141971	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-2H+NH4"	16.019271
"39361"	1115.220066	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M-2H+Na"	20.974666
"478926"	1662.342766	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M-2H+Na"	20.974666
"858550"	568.097366	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-2H+Na"	20.974666
"1627350"	568.097366	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Na-2H"	20.974666
"101692"	564.103763	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M-H+Cl"	33.962126
"536881"	837.665113	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M-H+Cl"	33.962126
"932582"	290.542413	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-H+Cl"	33.962126
"270772"	1129.214802	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+Cl"	34.969402
"661009"	1676.337502	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+Cl"	34.969402
"1272963"	582.092102	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Cl"	34.969402
"15962"	1131.194006	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M-2H+K"	36.948606
"456171"	1678.316706	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M-2H+K"	36.948606
"832926"	584.071306	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-2H+K"	36.948606
"1555593"	584.071306	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+K-2H"	36.948606
"944695"	592.120894	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-H+HCOOH"	44.998194
"367660"	1139.243601	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+HCOOH-H"	44.998201
"351544"	1153.259251	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+Hac-H"	59.013851
"1506579"	606.136551	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Hac-H"	59.013851
"964642"	614.102851	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-H+NaCOOH"	66.980151
"115735"	582.092102	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+2Cl"	69.938804
"554563"	855.653452	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+2Cl"	69.938804
"1033941"	308.530752	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2Cl"	69.938804
"1250241"	626.041585	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Br"	78.918885
"1318155"	628.097572	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Cl+HCOOH"	80.974872
"1330184"	650.079529	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Cl+NaCOOH"	102.956829
"917960"	660.108286	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M-H+CF3COOH"	112.985586
"1295763"	696.084964	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Cl+CF3COOH"	148.962264
"1369181"	512.110024	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H-2H2O"	-35.012676
"1385588"	530.12	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H-H2O"	-17.0027
"284910"	1095.252676	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+H"	1.007276
"682436"	1642.375376	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+H"	1.007276
"1352222"	548.129976	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H"	1.007276
"128394"	548.129976	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+2H"	2.014552
"566616"	821.691326	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+2H"	2.014552
"1039305"	274.568626	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2H"	2.014552
"206109"	365.755742666667	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+3H"	3.021828
"644258"	548.129976	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+3H"	3.021828
"1163438"	183.381509333333	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+3H"	3.021828
"439485"	1112.279223	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+NH4"	18.033823
"801129"	1659.401923	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+NH4"	18.033823
"1696863"	565.156523	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+NH4"	18.033823
"345387"	556.6432495	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+H+NH4"	19.041099
"738457"	830.2045995	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+H+NH4"	19.041099
"1492063"	283.0818995	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H+NH4"	19.041099
"406000"	1117.234618	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+Na"	22.989218
"764808"	1664.357318	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+Na"	22.989218
"1613999"	570.111918	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Na"	22.989218
"326223"	559.120947	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+H+Na"	23.996494
"717550"	832.682297	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+H+Na"	23.996494
"1472463"	285.559597	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H+Na"	23.996494
"1064616"	190.708823333333	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2H+Na"	25.00377
"1271034"	580.156186	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+CH3OH+H"	33.033486
"390703"	1133.208558	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+K"	38.963158
"751698"	1680.331258	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+K"	38.963158
"1554116"	586.085858	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+K"	38.963158
"313809"	567.107917	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+H+K"	39.970434
"704441"	840.669267	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+H+K"	39.970434
"1459722"	293.546567	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H+K"	39.970434
"248684"	1136.279226	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+ACN+H"	42.033826
"1222487"	589.156526	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+ACN+H"	42.033826
"1204910"	295.081901	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+ACN+2H"	43.041102
"198145"	1139.21656	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+2Na-H"	44.97116
"633703"	1686.33926	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+2Na-H"	44.97116
"1143404"	592.09386	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2Na-H"	44.97116
"183414"	570.111918	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+2Na"	45.978436
"624070"	843.673268	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+2Na"	45.978436
"1126482"	296.550568	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2Na"	45.978436
"1410003"	198.036137333333	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H+2Na"	46.985712
"1436654"	594.135446	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H+HCOOH"	47.012746
"223069"	575.14494	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+3H2O+2H"	56.04448
"1513317"	608.18749	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+IsoProp+H"	61.06479
"415190"	578.098888	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+Na+K"	61.952376
"773997"	851.660238	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+Na+K"	61.952376
"1672516"	304.537538	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Na+K"	61.952376
"251537"	1158.261168	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+ACN+Na"	64.015768
"1225909"	611.138468	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+ACN+Na"	64.015768
"1714065"	611.161993	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+NH4+HCOOH"	64.039293
"1180520"	205.363451333333	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+3Na"	68.967654
"1652957"	616.117388	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Na+HCOOH"	68.994688
"159462"	1171.16444	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+2K-H"	76.91904
"605586"	1718.28714	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+2K-H"	76.91904
"1087910"	624.04174	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2K-H"	76.91904
"153478"	586.085858	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"2M+2K"	77.926316
"591949"	859.647208	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"3M+2K"	77.926316
"1081928"	312.524508	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2K"	77.926316
"1112952"	626.056292	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2K+H"	78.933592
"1346060"	626.143907	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+DMSO+H"	79.021207
"1012404"	630.183076	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2ACN+H"	83.060376
"1534904"	631.176708	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+IsoProp+Na+H"	84.054008
"1002444"	315.595176	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+2ACN+2H"	84.067652
"1600227"	632.091328	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+K+HCOOH"	84.968628
"1425885"	662.122838	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+H+CF3COOH"	115.000138
"1160912"	336.108451	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+3ACN+2H"	125.094202
"1707911"	679.149385	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+NH4+CF3COOH"	132.026685
"1645747"	684.10478	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+Na+CF3COOH"	136.98208
"1583585"	700.07872	"C12479"	"Coumermic acid"	"C27H21N3O10"	"547.1227"	"M+K+CF3COOH"	152.95602
"804109"	895.3011	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M"	0
"986391"	876.28271	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-H2O-H"	-19.01839
"69166"	595.860124	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M-3H"	-3.021828
"514194"	894.293824	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M-3H"	-3.021828
"886533"	297.426424	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-3H"	-3.021828
"9480"	894.293824	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M-2H"	-2.014552
"443575"	1341.944374	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M-2H"	-2.014552
"824655"	446.643274	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-2H"	-2.014552
"81369"	1789.594924	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M-H"	-1.007276
"523120"	2684.896024	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M-H"	-1.007276
"898734"	894.293824	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-H"	-1.007276
"52020"	1806.621471	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M-2H+NH4"	16.019271
"487172"	2701.922571	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M-2H+NH4"	16.019271
"866099"	911.320371	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-2H+NH4"	16.019271
"38377"	1811.576866	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M-2H+Na"	20.974666
"477943"	2706.877966	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M-2H+Na"	20.974666
"857928"	916.275766	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-2H+Na"	20.974666
"1623086"	916.275766	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Na-2H"	20.974666
"101802"	912.282163	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M-H+Cl"	33.962126
"535653"	1359.932713	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M-H+Cl"	33.962126
"931598"	464.631613	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-H+Cl"	33.962126
"268816"	1825.571602	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+Cl"	34.969402
"660873"	2720.872702	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+Cl"	34.969402
"1272822"	930.270502	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Cl"	34.969402
"15714"	1827.550806	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M-2H+K"	36.948606
"455845"	2722.851906	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M-2H+K"	36.948606
"832804"	932.249706	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-2H+K"	36.948606
"1555649"	932.249706	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+K-2H"	36.948606
"943710"	940.299294	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-H+HCOOH"	44.998194
"365944"	1835.600401	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+HCOOH-H"	44.998201
"348003"	1849.616051	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+Hac-H"	59.013851
"1499398"	954.314951	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Hac-H"	59.013851
"960741"	962.281251	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-H+NaCOOH"	66.980151
"114021"	930.270502	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+2Cl"	69.938804
"551757"	1377.921052	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+2Cl"	69.938804
"1031863"	482.619952	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2Cl"	69.938804
"1251080"	974.219985	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Br"	78.918885
"1312798"	976.275972	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Cl+HCOOH"	80.974872
"1329200"	998.257929	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Cl+NaCOOH"	102.956829
"915883"	1008.286686	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M-H+CF3COOH"	112.985586
"1292593"	1044.263364	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Cl+CF3COOH"	148.962264
"1368563"	860.288424	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H-2H2O"	-35.012676
"1386426"	878.2984	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H-H2O"	-17.0027
"286112"	1791.609476	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+H"	1.007276
"682546"	2686.910576	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+H"	1.007276
"1352696"	896.308376	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H"	1.007276
"127411"	896.308376	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+2H"	2.014552
"566725"	1343.958926	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+2H"	2.014552
"1039415"	448.657826	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2H"	2.014552
"206584"	597.874676	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+3H"	3.021828
"645169"	896.308376	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+3H"	3.021828
"1162803"	299.440976	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+3H"	3.021828
"439230"	1808.636023	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+NH4"	18.033823
"800953"	2703.937123	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+NH4"	18.033823
"1696672"	913.334923	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+NH4"	18.033823
"344836"	904.8216495	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+H+NH4"	19.041099
"737379"	1352.4721995	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+H+NH4"	19.041099
"1491074"	457.1710995	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H+NH4"	19.041099
"399549"	1813.591418	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+Na"	22.989218
"761638"	2708.892518	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+Na"	22.989218
"1610828"	918.290318	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Na"	22.989218
"323050"	907.299347	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+H+Na"	23.996494
"714378"	1354.949897	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+H+Na"	23.996494
"1468197"	459.648797	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H+Na"	23.996494
"1060350"	306.76829	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2H+Na"	25.00377
"1263123"	928.334586	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+CH3OH+H"	33.033486
"387167"	1829.565358	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+K"	38.963158
"745974"	2724.866458	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+K"	38.963158
"1549120"	934.264258	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+K"	38.963158
"310671"	915.286317	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+H+K"	39.970434
"703092"	1362.936867	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+H+K"	39.970434
"1458371"	467.635767	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H+K"	39.970434
"247701"	1832.636026	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+ACN+H"	42.033826
"1221138"	937.334926	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+ACN+H"	42.033826
"1202104"	469.171101	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+ACN+2H"	43.041102
"197161"	1835.57336	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+2Na-H"	44.97116
"630166"	2730.87446	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+2Na-H"	44.97116
"1136588"	940.27226	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2Na-H"	44.97116
"177692"	918.290318	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+2Na"	45.978436
"614700"	1365.940868	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+2Na"	45.978436
"1118205"	470.639768	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2Na"	45.978436
"1401730"	314.095604	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H+2Na"	46.985712
"1434577"	942.313846	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H+HCOOH"	47.012746
"223177"	923.32334	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+3H2O+2H"	56.04448
"1509045"	956.36589	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+IsoProp+H"	61.06479
"408769"	926.277288	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+Na+K"	61.952376
"771555"	1373.927838	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+Na+K"	61.952376
"1667885"	478.626738	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Na+K"	61.952376
"251582"	1854.617968	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+ACN+Na"	64.015768
"1225689"	959.316868	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+ACN+Na"	64.015768
"1713242"	959.340393	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+NH4+HCOOH"	64.039293
"1179281"	321.422918	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+3Na"	68.967654
"1652339"	964.295788	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Na+HCOOH"	68.994688
"160664"	1867.52124	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+2K-H"	76.91904
"602415"	2762.82234	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+2K-H"	76.91904
"1085833"	972.22014	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2K-H"	76.91904
"152494"	934.264258	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"2M+2K"	77.926316
"588779"	1381.914808	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"3M+2K"	77.926316
"1078759"	486.613708	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2K"	77.926316
"1109782"	974.234692	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2K+H"	78.933592
"1340702"	974.322307	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+DMSO+H"	79.021207
"1015793"	978.361476	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2ACN+H"	83.060376
"1536102"	979.355108	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+IsoProp+Na+H"	84.054008
"1001457"	489.684376	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+2ACN+2H"	84.067652
"1601427"	980.269728	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+K+HCOOH"	84.968628
"1425995"	1010.301238	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+H+CF3COOH"	115.000138
"1153002"	510.197651	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+3ACN+2H"	125.094202
"1708021"	1027.327785	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+NH4+CF3COOH"	132.026685
"1645857"	1032.28318	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+Na+CF3COOH"	136.98208
"1583695"	1048.25712	"C12480"	"Coumermycin D"	"C43H49N3O18"	"895.3011"	"M+K+CF3COOH"	152.95602
"806405"	562.0965	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M"	0
"986137"	543.07811	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-H2O-H"	-19.01839
"73285"	373.723724	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M-3H"	-3.021828
"515397"	561.089224	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M-3H"	-3.021828
"887736"	186.358224	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-3H"	-3.021828
"12506"	561.089224	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M-2H"	-2.014552
"444778"	842.137474	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M-2H"	-2.014552
"824765"	280.040974	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-2H"	-2.014552
"81843"	1123.185724	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M-H"	-1.007276
"523230"	1685.282224	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M-H"	-1.007276
"899937"	561.089224	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-H"	-1.007276
"52130"	1140.212271	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M-2H+NH4"	16.019271
"487835"	1702.308771	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M-2H+NH4"	16.019271
"865479"	578.115771	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-2H+NH4"	16.019271
"38487"	1145.167666	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M-2H+Na"	20.974666
"478053"	1707.264166	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M-2H+Na"	20.974666
"856945"	583.071166	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-2H+Na"	20.974666
"1623196"	583.071166	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Na-2H"	20.974666
"100819"	579.077563	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M-H+Cl"	33.962126
"536371"	860.125813	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M-H+Cl"	33.962126
"929521"	298.029313	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-H+Cl"	33.962126
"268805"	1159.162402	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+Cl"	34.969402
"661955"	1721.258902	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+Cl"	34.969402
"1273632"	597.065902	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Cl"	34.969402
"15873"	1161.141606	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M-2H+K"	36.948606
"456232"	1723.238106	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M-2H+K"	36.948606
"832947"	599.045106	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-2H+K"	36.948606
"1555748"	599.045106	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+K-2H"	36.948606
"943215"	607.094694	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-H+HCOOH"	44.998194
"366054"	1169.191201	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+HCOOH-H"	44.998201
"346776"	1183.206851	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+Hac-H"	59.013851
"1496947"	621.110351	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Hac-H"	59.013851
"963033"	629.076651	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-H+NaCOOH"	66.980151
"111941"	597.065902	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+2Cl"	69.938804
"551135"	878.114152	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+2Cl"	69.938804
"1024315"	316.017652	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2Cl"	69.938804
"1244259"	641.015385	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Br"	78.918885
"1308530"	643.071372	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Cl+HCOOH"	80.974872
"1326029"	665.053329	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Cl+NaCOOH"	102.956829
"914897"	675.082086	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M-H+CF3COOH"	112.985586
"1293796"	711.058764	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Cl+CF3COOH"	148.962264
"1368185"	527.083824	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H-2H2O"	-35.012676
"1386172"	545.0938	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H-H2O"	-17.0027
"286951"	1125.200276	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+H"	1.007276
"680470"	1687.296776	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+H"	1.007276
"1354263"	563.103776	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H"	1.007276
"129706"	563.103776	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+2H"	2.014552
"569264"	844.152026	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+2H"	2.014552
"1041347"	282.055526	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2H"	2.014552
"207058"	375.738276	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+3H"	3.021828
"644304"	563.103776	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+3H"	3.021828
"1164382"	188.372776	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+3H"	3.021828
"425100"	1142.226823	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+NH4"	18.033823
"790108"	1704.323323	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+NH4"	18.033823
"1695565"	580.130323	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+NH4"	18.033823
"345067"	571.6170495	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+H+NH4"	19.041099
"737731"	852.6652995	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+H+NH4"	19.041099
"1491424"	290.5687995	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H+NH4"	19.041099
"398564"	1147.182218	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+Na"	22.989218
"762840"	1709.278718	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+Na"	22.989218
"1613123"	585.085718	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Na"	22.989218
"319878"	574.094747	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+H+Na"	23.996494
"715579"	855.142997	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+H+Na"	23.996494
"1470494"	293.046497	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H+Na"	23.996494
"1061552"	195.70009	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2H+Na"	25.00377
"1266515"	595.129986	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+CH3OH+H"	33.033486
"387277"	1163.156158	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+K"	38.963158
"748270"	1725.252658	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+K"	38.963158
"1550322"	601.059658	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+K"	38.963158
"309325"	582.081717	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+H+K"	39.970434
"699921"	863.129967	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+H+K"	39.970434
"1457752"	301.033467	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H+K"	39.970434
"242343"	1166.226826	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+ACN+H"	42.033826
"1220516"	604.130326	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+ACN+H"	42.033826
"1204399"	302.568801	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+ACN+2H"	43.041102
"197270"	1169.16416	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+2Na-H"	44.97116
"631007"	1731.26066	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+2Na-H"	44.97116
"1141438"	607.06766	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2Na-H"	44.97116
"178168"	585.085718	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+2Na"	45.978436
"614080"	866.133968	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+2Na"	45.978436
"1119773"	304.037468	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2Na"	45.978436
"1402571"	203.027404	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H+2Na"	46.985712
"1435051"	609.109246	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H+HCOOH"	47.012746
"221462"	590.11874	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+3H2O+2H"	56.04448
"1508611"	623.16129	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+IsoProp+H"	61.06479
"409041"	593.072688	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+Na+K"	61.952376
"770320"	874.120938	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+Na+K"	61.952376
"1665643"	312.024438	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Na+K"	61.952376
"251753"	1188.208768	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+ACN+Na"	64.015768
"1225654"	626.112268	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+ACN+Na"	64.015768
"1713218"	626.135793	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+NH4+HCOOH"	64.039293
"1178736"	210.354718	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+3Na"	68.967654
"1649939"	631.091188	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Na+HCOOH"	68.994688
"158951"	1201.11204	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+2K-H"	76.91904
"602525"	1763.20854	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+2K-H"	76.91904
"1088129"	639.01554	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2K-H"	76.91904
"151510"	601.059658	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"2M+2K"	77.926316
"588889"	882.107908	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"3M+2K"	77.926316
"1078507"	320.011408	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2K"	77.926316
"1107706"	641.030092	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2K+H"	78.933592
"1344092"	641.117707	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+DMSO+H"	79.021207
"1015899"	645.156876	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2ACN+H"	83.060376
"1534756"	646.150508	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+IsoProp+Na+H"	84.054008
"999379"	323.082076	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+2ACN+2H"	84.067652
"1599351"	647.065128	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+K+HCOOH"	84.968628
"1425012"	677.096638	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+H+CF3COOH"	115.000138
"1153112"	343.595351	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+3ACN+2H"	125.094202
"1703757"	694.123185	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+NH4+CF3COOH"	132.026685
"1642687"	699.07858	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+Na+CF3COOH"	136.98208
"1583805"	715.05252	"C12481"	"dTDP-5-dimethyl-L-lyxose;dTDP-4-O-demethyl-beta-L-noviose"	"C17H28N2O15P2"	"562.0965"	"M+K+CF3COOH"	152.95602
"810892"	62.0175	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M"	0
"984424"	42.99911	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-H2O-H"	-19.01839
"70485"	40.337724	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M-3H"	-3.021828
"510044"	61.010224	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M-3H"	-3.021828
"884566"	19.665224	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-3H"	-3.021828
"2412"	61.010224	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M-2H"	-2.014552
"444161"	92.018974	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M-2H"	-2.014552
"830356"	30.001474	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-2H"	-2.014552
"88159"	123.027724	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M-H"	-1.007276
"532950"	185.045224	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M-H"	-1.007276
"908440"	61.010224	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-H"	-1.007276
"56616"	140.054271	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M-2H+NH4"	16.019271
"498370"	202.071771	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M-2H+NH4"	16.019271
"871067"	78.036771	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-2H+NH4"	16.019271
"37509"	145.009666	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M-2H+Na"	20.974666
"478162"	207.027166	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M-2H+Na"	20.974666
"857060"	82.992166	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-2H+Na"	20.974666
"1627687"	82.992166	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Na-2H"	20.974666
"99475"	78.998563	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M-H+Cl"	33.962126
"542682"	110.007313	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M-H+Cl"	33.962126
"935102"	47.989813	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-H+Cl"	33.962126
"272930"	159.004402	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+Cl"	34.969402
"666445"	221.021902	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+Cl"	34.969402
"1277388"	96.986902	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Cl"	34.969402
"22131"	160.983606	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M-2H+K"	36.948606
"462057"	223.001106	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M-2H+K"	36.948606
"835849"	98.966106	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-2H+K"	36.948606
"1560068"	98.966106	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+K-2H"	36.948606
"947588"	107.015694	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-H+HCOOH"	44.998194
"369087"	169.033201	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+HCOOH-H"	44.998201
"350785"	183.048851	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+Hac-H"	59.013851
"1498526"	121.031351	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Hac-H"	59.013851
"963880"	128.997651	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-H+NaCOOH"	66.980151
"114976"	96.986902	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+2Cl"	69.938804
"552351"	127.995652	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+2Cl"	69.938804
"1024063"	65.978152	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2Cl"	69.938804
"1242548"	140.936385	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Br"	78.918885
"1314113"	142.992372	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Cl+HCOOH"	80.974872
"1330516"	164.974329	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Cl+NaCOOH"	102.956829
"923760"	175.003086	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M-H+CF3COOH"	112.985586
"1302910"	210.979764	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Cl+CF3COOH"	148.962264
"1382284"	27.004824	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H-2H2O"	-35.012676
"1398316"	45.0148	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H-H2O"	-17.0027
"295816"	125.042276	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+H"	1.007276
"689332"	187.059776	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+H"	1.007276
"1362401"	63.024776	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H"	1.007276
"133101"	63.024776	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+2H"	2.014552
"571566"	94.033526	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+2H"	2.014552
"1041458"	32.016026	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2H"	2.014552
"212647"	42.352276	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+3H"	3.021828
"650018"	63.024776	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+3H"	3.021828
"1170332"	21.679776	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+3H"	3.021828
"438719"	142.068823	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+NH4"	18.033823
"801178"	204.086323	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+NH4"	18.033823
"1696532"	80.051323	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+NH4"	18.033823
"343596"	71.5380495	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+H+NH4"	19.041099
"734923"	102.5467995	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+H+NH4"	19.041099
"1489836"	40.5292995	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H+NH4"	19.041099
"399769"	147.024218	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+Na"	22.989218
"764043"	209.041718	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+Na"	22.989218
"1614328"	85.006718	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Na"	22.989218
"326551"	74.015747	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+H+Na"	23.996494
"718974"	105.024497	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+H+Na"	23.996494
"1474987"	43.006997	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H+Na"	23.996494
"1065680"	29.00709	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2H+Na"	25.00377
"1268812"	95.050986	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+CH3OH+H"	33.033486
"389579"	162.998158	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+K"	38.963158
"751664"	225.015658	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+K"	38.963158
"1549343"	100.980658	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+K"	38.963158
"308704"	82.002717	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+H+K"	39.970434
"704409"	113.011467	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+H+K"	39.970434
"1459320"	50.993967	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H+K"	39.970434
"248287"	166.068826	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+ACN+H"	42.033826
"1222455"	104.051326	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+ACN+H"	42.033826
"1200145"	52.529301	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+ACN+2H"	43.041102
"189731"	169.00616	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+2Na-H"	44.97116
"631480"	231.02366	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+2Na-H"	44.97116
"1131471"	106.98866	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2Na-H"	44.97116
"174020"	85.006718	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+2Na"	45.978436
"614555"	116.015468	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+2Na"	45.978436
"1118791"	53.997968	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2Na"	45.978436
"1399274"	36.334404	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H+2Na"	46.985712
"1430415"	109.030246	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H+HCOOH"	47.012746
"222669"	90.03974	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+3H2O+2H"	56.04448
"1509635"	123.08229	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+IsoProp+H"	61.06479
"409321"	92.993688	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+Na+K"	61.952376
"773599"	124.002438	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+Na+K"	61.952376
"1665653"	61.984938	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Na+K"	61.952376
"252064"	188.050768	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+ACN+Na"	64.015768
"1225747"	126.033268	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+ACN+Na"	64.015768
"1716588"	126.056793	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+NH4+HCOOH"	64.039293
"1185229"	43.661718	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+3Na"	68.967654
"1660589"	131.012188	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Na+HCOOH"	68.994688
"169637"	200.95404	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+2K-H"	76.91904
"608106"	262.97154	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+2K-H"	76.91904
"1085092"	138.93654	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2K-H"	76.91904
"142271"	100.980658	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"2M+2K"	77.926316
"586818"	131.989408	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"3M+2K"	77.926316
"1068690"	69.971908	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2K"	77.926316
"1100403"	140.951092	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2K+H"	78.933592
"1336545"	141.038707	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+DMSO+H"	79.021207
"1005761"	145.077876	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2ACN+H"	83.060376
"1529764"	146.071508	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+IsoProp+Na+H"	84.054008
"991839"	73.042576	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+2ACN+2H"	84.067652
"1588893"	146.986128	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+K+HCOOH"	84.968628
"1425122"	177.017638	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+H+CF3COOH"	115.000138
"1158690"	93.555851	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+3ACN+2H"	125.094202
"1704960"	194.044185	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+NH4+CF3COOH"	132.026685
"1640610"	198.99958	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+Na+CF3COOH"	136.98208
"1574076"	214.97352	"C12486"	"Boric acid"	"H3BO3"	"62.0175"	"M+K+CF3COOH"	152.95602
"804441"	353.191	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M"	0
"974693"	334.17261	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-H2O-H"	-19.01839
"67315"	234.453390666667	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M-3H"	-3.021828
"505051"	352.183724	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M-3H"	-3.021828
"881031"	116.723057333333	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-3H"	-3.021828
"1428"	352.183724	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M-2H"	-2.014552
"442812"	528.779224	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M-2H"	-2.014552
"829366"	175.588224	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-2H"	-2.014552
"87176"	705.374724	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M-H"	-1.007276
"533790"	1058.565724	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M-H"	-1.007276
"909643"	352.183724	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-H"	-1.007276
"56726"	722.401271	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M-2H+NH4"	16.019271
"500667"	1075.592271	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M-2H+NH4"	16.019271
"869720"	369.210271	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-2H+NH4"	16.019271
"37620"	727.356666	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M-2H+Na"	20.974666
"478273"	1080.547666	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M-2H+Na"	20.974666
"858263"	374.165666	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-2H+Na"	20.974666
"1627797"	374.165666	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Na-2H"	20.974666
"99950"	370.172063	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M-H+Cl"	33.962126
"542790"	546.767563	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M-H+Cl"	33.962126
"937399"	193.576563	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-H+Cl"	33.962126
"279236"	741.351402	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+Cl"	34.969402
"670567"	1094.542402	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+Cl"	34.969402
"1280782"	388.160402	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Cl"	34.969402
"24431"	743.330606	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M-2H+K"	36.948606
"460711"	1096.521606	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M-2H+K"	36.948606
"837419"	390.139606	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-2H+K"	36.948606
"1557994"	390.139606	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+K-2H"	36.948606
"948794"	398.189194	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-H+HCOOH"	44.998194
"370290"	751.380201	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+HCOOH-H"	44.998201
"354177"	765.395851	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+Hac-H"	59.013851
"1495356"	412.204851	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Hac-H"	59.013851
"961803"	420.171151	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-H+NaCOOH"	66.980151
"110217"	388.160402	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+2Cl"	69.938804
"552087"	564.755902	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+2Cl"	69.938804
"1021499"	211.564902	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2Cl"	69.938804
"1241595"	432.109885	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Br"	78.918885
"1305342"	434.165872	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Cl+HCOOH"	80.974872
"1320772"	456.147829	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Cl+NaCOOH"	102.956829
"911473"	466.176586	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M-H+CF3COOH"	112.985586
"1290371"	502.153264	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Cl+CF3COOH"	148.962264
"1381537"	318.178324	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H-2H2O"	-35.012676
"1394052"	336.1883	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H-H2O"	-17.0027
"286086"	707.389276	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+H"	1.007276
"683975"	1060.580276	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+H"	1.007276
"1358136"	354.198276	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H"	1.007276
"129929"	354.198276	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+2H"	2.014552
"565677"	530.793776	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+2H"	2.014552
"1040475"	177.602776	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2H"	2.014552
"212757"	236.467942666667	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+3H"	3.021828
"647941"	354.198276	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+3H"	3.021828
"1170442"	118.737609333333	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+3H"	3.021828
"438098"	724.415823	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+NH4"	18.033823
"800552"	1077.606823	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+NH4"	18.033823
"1696155"	371.224823	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+NH4"	18.033823
"345040"	362.7115495	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+H+NH4"	19.041099
"737948"	539.3070495	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+H+NH4"	19.041099
"1489946"	186.1160495	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H+NH4"	19.041099
"400971"	729.371218	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+Na"	22.989218
"759779"	1082.562218	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+Na"	22.989218
"1614437"	376.180218	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Na"	22.989218
"326662"	365.189247	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+H+Na"	23.996494
"717992"	541.784747	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+H+Na"	23.996494
"1475458"	188.593747	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H+Na"	23.996494
"1066882"	126.064923333333	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2H+Na"	25.00377
"1271477"	386.224486	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+CH3OH+H"	33.033486
"390782"	745.345158	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+K"	38.963158
"749589"	1098.536158	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+K"	38.963158
"1553828"	392.154158	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+K"	38.963158
"311004"	373.176217	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+H+K"	39.970434
"704519"	549.771717	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+H+K"	39.970434
"1459430"	196.580717	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H+K"	39.970434
"247668"	748.415826	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+ACN+H"	42.033826
"1223294"	395.224826	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+ACN+H"	42.033826
"1199162"	198.116051	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+ACN+2H"	43.041102
"190570"	751.35316	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+2Na-H"	44.97116
"632685"	1104.54416	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+2Na-H"	44.97116
"1131395"	398.16216	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2Na-H"	44.97116
"172966"	376.180218	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+2Na"	45.978436
"617218"	552.775718	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+2Na"	45.978436
"1120725"	199.584718	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2Na"	45.978436
"1399142"	133.392237333333	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H+2Na"	46.985712
"1430327"	400.203746	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H+HCOOH"	47.012746
"222049"	381.21324	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+3H2O+2H"	56.04448
"1510111"	414.25579	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+IsoProp+H"	61.06479
"409431"	384.167188	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+Na+K"	61.952376
"772254"	560.762688	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+Na+K"	61.952376
"1667244"	207.571688	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Na+K"	61.952376
"252183"	770.397768	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+ACN+Na"	64.015768
"1225774"	417.206768	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+ACN+Na"	64.015768
"1716698"	417.230293	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+NH4+HCOOH"	64.039293
"1185339"	140.719551333333	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+3Na"	68.967654
"1659606"	422.185688	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Na+HCOOH"	68.994688
"169747"	783.30104	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+2K-H"	76.91904
"608216"	1136.49204	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+2K-H"	76.91904
"1086534"	430.11004	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2K-H"	76.91904
"143349"	392.154158	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"2M+2K"	77.926316
"582795"	568.749658	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"3M+2K"	77.926316
"1068883"	215.558658	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2K"	77.926316
"1100269"	432.124592	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2K+H"	78.933592
"1336415"	432.212207	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+DMSO+H"	79.021207
"1006399"	436.251376	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2ACN+H"	83.060376
"1526595"	437.245008	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+IsoProp+Na+H"	84.054008
"994136"	218.629326	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+2ACN+2H"	84.067652
"1590097"	438.159628	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+K+HCOOH"	84.968628
"1424139"	468.191138	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+H+CF3COOH"	115.000138
"1155519"	239.142601	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+3ACN+2H"	125.094202
"1705070"	485.217685	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+NH4+CF3COOH"	132.026685
"1639627"	490.17308	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+Na+CF3COOH"	136.98208
"1574186"	506.14702	"C12490"	"Butenafine hydrochloride"	"C23H27NHCl"	"353.191"	"M+K+CF3COOH"	152.95602
"804551"	255.9806	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M"	0
"978083"	236.96221	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-H2O-H"	-19.01839
"67424"	169.646457333333	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M-3H"	-3.021828
"504796"	254.973324	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M-3H"	-3.021828
"881506"	84.3195906666667	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-3H"	-3.021828
"4455"	254.973324	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M-2H"	-2.014552
"442923"	382.963624	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M-2H"	-2.014552
"829476"	126.983024	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-2H"	-2.014552
"88379"	510.953924	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M-H"	-1.007276
"533899"	766.934524	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M-H"	-1.007276
"909632"	254.973324	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-H"	-1.007276
"57929"	527.980471	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M-2H+NH4"	16.019271
"500778"	783.961071	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M-2H+NH4"	16.019271
"867643"	271.999871	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-2H+NH4"	16.019271
"37732"	532.935866	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M-2H+Na"	20.974666
"479477"	788.916466	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M-2H+Na"	20.974666
"859466"	276.955266	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-2H+Na"	20.974666
"1627906"	276.955266	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Na-2H"	20.974666
"100059"	272.961663	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M-H+Cl"	33.962126
"542900"	400.951963	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M-H+Cl"	33.962126
"938602"	144.971363	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-H+Cl"	33.962126
"279346"	546.930602	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+Cl"	34.969402
"670678"	802.911202	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+Cl"	34.969402
"1285267"	290.950002	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Cl"	34.969402
"24542"	548.909806	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M-2H+K"	36.948606
"466289"	804.890406	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M-2H+K"	36.948606
"842999"	292.929206	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-2H+K"	36.948606
"1567580"	292.929206	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+K-2H"	36.948606
"947081"	300.978794	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-H+HCOOH"	44.998194
"366026"	556.959401	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+HCOOH-H"	44.998201
"355380"	570.975051	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+Hac-H"	59.013851
"1495466"	314.994451	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Hac-H"	59.013851
"965195"	322.960751	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-H+NaCOOH"	66.980151
"110570"	290.950002	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+2Cl"	69.938804
"551226"	418.940302	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+2Cl"	69.938804
"1021438"	162.959702	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2Cl"	69.938804
"1241366"	334.899485	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Br"	78.918885
"1304276"	336.955472	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Cl+HCOOH"	80.974872
"1320884"	358.937429	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Cl+NaCOOH"	102.956829
"911703"	368.966186	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M-H+CF3COOH"	112.985586
"1290117"	404.942864	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Cl+CF3COOH"	148.962264
"1378851"	220.967924	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H-2H2O"	-35.012676
"1393069"	238.9779	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H-H2O"	-17.0027
"287289"	512.968476	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+H"	1.007276
"684085"	768.949076	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+H"	1.007276
"1358246"	256.987876	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H"	1.007276
"127852"	256.987876	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+2H"	2.014552
"565778"	384.978176	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+2H"	2.014552
"1038762"	128.997576	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2H"	2.014552
"212865"	171.661009333333	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+3H"	3.021828
"648049"	256.987876	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+3H"	3.021828
"1171645"	86.3341426666667	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+3H"	3.021828
"438574"	529.995023	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+NH4"	18.033823
"798476"	785.975623	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+NH4"	18.033823
"1692253"	274.014423	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+NH4"	18.033823
"344177"	265.5011495	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+H+NH4"	19.041099
"735141"	393.4914495	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+H+NH4"	19.041099
"1488961"	137.5108495	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H+NH4"	19.041099
"405457"	534.950418	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+Na"	22.989218
"765358"	790.931018	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+Na"	22.989218
"1612361"	278.969818	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Na"	22.989218
"323492"	267.978847	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+H+Na"	23.996494
"717009"	395.969147	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+H+Na"	23.996494
"1472652"	139.988547	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H+Na"	23.996494
"1064075"	93.6614566666667	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2H+Na"	25.00377
"1266851"	289.014086	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+CH3OH+H"	33.033486
"388706"	550.924358	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+K"	38.963158
"751885"	806.904958	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+K"	38.963158
"1552845"	294.943758	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+K"	38.963158
"311111"	275.965817	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+H+K"	39.970434
"705720"	403.956117	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+H+K"	39.970434
"1457353"	147.975517	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H+K"	39.970434
"248142"	553.995026	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+ACN+H"	42.033826
"1224497"	298.014426	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+ACN+H"	42.033826
"1200365"	149.510851	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+ACN+2H"	43.041102
"192140"	556.93236	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+2Na-H"	44.97116
"636077"	812.91296	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+2Na-H"	44.97116
"1132654"	300.95176	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2Na-H"	44.97116
"175580"	278.969818	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+2Na"	45.978436
"618061"	406.960118	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+2Na"	45.978436
"1120106"	150.979518	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2Na"	45.978436
"1401077"	100.988770666667	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H+2Na"	46.985712
"1432832"	302.993346	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H+HCOOH"	47.012746
"222528"	284.00284	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+3H2O+2H"	56.04448
"1511314"	317.04539	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+IsoProp+H"	61.06479
"410635"	286.956788	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+Na+K"	61.952376
"774551"	414.947088	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+Na+K"	61.952376
"1666505"	158.966488	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Na+K"	61.952376
"252293"	575.976968	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+ACN+Na"	64.015768
"1225842"	319.996368	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+ACN+Na"	64.015768
"1716808"	320.019893	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+NH4+HCOOH"	64.039293
"1185813"	108.316084666667	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+3Na"	68.967654
"1659716"	324.975288	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Na+HCOOH"	68.994688
"169857"	588.88024	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+2K-H"	76.91904
"609785"	844.86084	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+2K-H"	76.91904
"1085430"	332.89964	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2K-H"	76.91904
"142492"	294.943758	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"2M+2K"	77.926316
"584851"	422.934058	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"3M+2K"	77.926316
"1069238"	166.953458	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2K"	77.926316
"1100151"	334.914192	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2K+H"	78.933592
"1336890"	335.001807	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+DMSO+H"	79.021207
"1006392"	339.040976	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2ACN+H"	83.060376
"1525609"	340.034608	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+IsoProp+Na+H"	84.054008
"993151"	170.024126	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+2ACN+2H"	84.067652
"1588749"	340.949228	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+K+HCOOH"	84.968628
"1425342"	370.980738	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+H+CF3COOH"	115.000138
"1153442"	190.537401	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+3ACN+2H"	125.094202
"1701900"	388.007285	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+NH4+CF3COOH"	132.026685
"1639737"	392.96268	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+Na+CF3COOH"	136.98208
"1574296"	408.93662	"C12491"	"Pyrrolnitrin"	"C10H6Cl2N2O2"	"255.9806"	"M+K+CF3COOH"	152.95602
"816573"	246.0107	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M"	0
"988037"	226.99231	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-H2O-H"	-19.01839
"67534"	162.999857333333	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M-3H"	-3.021828
"507092"	245.003424	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M-3H"	-3.021828
"881616"	80.9962906666667	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-3H"	-3.021828
"4565"	245.003424	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M-2H"	-2.014552
"440601"	368.008774	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M-2H"	-2.014552
"829587"	121.998074	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-2H"	-2.014552
"88489"	491.014124	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M-H"	-1.007276
"533288"	737.024824	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M-H"	-1.007276
"906949"	245.003424	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-H"	-1.007276
"60107"	508.040671	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M-2H+NH4"	16.019271
"499795"	754.051371	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M-2H+NH4"	16.019271
"868847"	262.029971	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-2H+NH4"	16.019271
"40028"	512.996066	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M-2H+Na"	20.974666
"480680"	759.006766	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M-2H+Na"	20.974666
"859574"	266.985366	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-2H+Na"	20.974666
"1625099"	266.985366	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Na-2H"	20.974666
"99076"	262.991763	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M-H+Cl"	33.962126
"539729"	385.997113	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M-H+Cl"	33.962126
"940537"	139.986413	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-H+Cl"	33.962126
"280186"	526.990802	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+Cl"	34.969402
"671884"	773.001502	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+Cl"	34.969402
"1283192"	280.980102	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Cl"	34.969402
"26840"	528.970006	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M-2H+K"	36.948606
"465310"	774.980706	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M-2H+K"	36.948606
"843111"	282.959306	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-2H+K"	36.948606
"1564410"	282.959306	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+K-2H"	36.948606
"945734"	291.008894	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-H+HCOOH"	44.998194
"369419"	537.019601	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+HCOOH-H"	44.998201
"350024"	551.035251	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+Hac-H"	59.013851
"1495576"	305.024551	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Hac-H"	59.013851
"958534"	312.990851	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-H+NaCOOH"	66.980151
"110314"	280.980102	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+2Cl"	69.938804
"550485"	403.985452	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+2Cl"	69.938804
"1022198"	157.974752	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2Cl"	69.938804
"1242019"	324.929585	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Br"	78.918885
"1304248"	326.985572	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Cl+HCOOH"	80.974872
"1320143"	348.967529	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Cl+NaCOOH"	102.956829
"911401"	358.996286	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M-H+CF3COOH"	112.985586
"1290227"	394.972964	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Cl+CF3COOH"	148.962264
"1377868"	210.998024	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H-2H2O"	-35.012676
"1393179"	229.008	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H-H2O"	-17.0027
"287399"	493.028676	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+H"	1.007276
"683102"	739.039376	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+H"	1.007276
"1357263"	247.017976	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H"	1.007276
"126179"	247.017976	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+2H"	2.014552
"565787"	370.023326	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+2H"	2.014552
"1037183"	124.012626	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2H"	2.014552
"215162"	165.014409333333	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+3H"	3.021828
"650345"	247.017976	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+3H"	3.021828
"1171755"	83.0108426666667	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+3H"	3.021828
"436858"	510.055223	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+NH4"	18.033823
"790564"	756.065923	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+NH4"	18.033823
"1691269"	264.044523	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+NH4"	18.033823
"341732"	255.5312495	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+H+NH4"	19.041099
"729782"	378.5365995	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+H+NH4"	19.041099
"1482509"	132.5258995	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H+NH4"	19.041099
"397908"	515.010618	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+Na"	22.989218
"757810"	761.021318	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+Na"	22.989218
"1611375"	268.999918	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Na"	22.989218
"323600"	258.008947	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+H+Na"	23.996494
"718937"	381.014297	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+H+Na"	23.996494
"1470939"	135.003597	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H+Na"	23.996494
"1064551"	90.3381566666667	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2H+Na"	25.00377
"1268417"	279.044186	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+CH3OH+H"	33.033486
"386627"	530.984558	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+K"	38.963158
"747621"	776.995258	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+K"	38.963158
"1551859"	284.973858	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+K"	38.963158
"311221"	265.995917	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+H+K"	39.970434
"705467"	389.001267	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+H+K"	39.970434
"1451995"	142.990567	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H+K"	39.970434
"246065"	534.055226	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+ACN+H"	42.033826
"1222422"	288.044526	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+ACN+H"	42.033826
"1201569"	144.525901	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+ACN+2H"	43.041102
"192617"	536.99256	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+2Na-H"	44.97116
"635093"	783.00326	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+2Na-H"	44.97116
"1132400"	290.98186	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2Na-H"	44.97116
"177513"	268.999918	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+2Na"	45.978436
"617440"	392.005268	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+2Na"	45.978436
"1119852"	145.994568	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2Na"	45.978436
"1401917"	97.6654706666667	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H+2Na"	46.985712
"1432942"	293.023446	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H+HCOOH"	47.012746
"224092"	274.03294	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+3H2O+2H"	56.04448
"1510696"	307.07549	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+IsoProp+H"	61.06479
"410381"	276.986888	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+Na+K"	61.952376
"772474"	399.992238	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+Na+K"	61.952376
"1665839"	153.981538	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Na+K"	61.952376
"251417"	556.037168	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+ACN+Na"	64.015768
"1225680"	310.026468	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+ACN+Na"	64.015768
"1715824"	310.049993	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+NH4+HCOOH"	64.039293
"1182276"	104.992784666667	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+3Na"	68.967654
"1654722"	315.005388	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Na+HCOOH"	68.994688
"162676"	568.94044	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+2K-H"	76.91904
"604793"	814.95114	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+2K-H"	76.91904
"1087487"	322.92974	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2K-H"	76.91904
"143207"	284.973858	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"2M+2K"	77.926316
"582774"	407.979208	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"3M+2K"	77.926316
"1068699"	161.968508	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2K"	77.926316
"1101588"	324.944292	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2K+H"	78.933592
"1336027"	325.031907	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+DMSO+H"	79.021207
"1009783"	329.071076	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2ACN+H"	83.060376
"1526814"	330.064708	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+IsoProp+Na+H"	84.054008
"992532"	165.039176	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+2ACN+2H"	84.067652
"1591046"	330.979328	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+K+HCOOH"	84.968628
"1419983"	361.010838	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+H+CF3COOH"	115.000138
"1154645"	185.552451	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+3ACN+2H"	125.094202
"1698730"	378.037385	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+NH4+CF3COOH"	132.026685
"1639847"	382.99278	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+Na+CF3COOH"	136.98208
"1574406"	398.96672	"C12505"	"Magnesium sulfate;Magnesium sulfate heptahydrate"	"MgSO47H2O"	"246.0107"	"M+K+CF3COOH"	152.95602
"808051"	317.1991	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M"	0
"981584"	298.18071	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-H2O-H"	-19.01839
"67644"	210.458790666667	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M-3H"	-3.021828
"509390"	316.191824	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M-3H"	-3.021828
"881725"	104.725757333333	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-3H"	-3.021828
"5768"	316.191824	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M-2H"	-2.014552
"446423"	474.791374	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M-2H"	-2.014552
"830790"	157.592274	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-2H"	-2.014552
"91514"	633.390924	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M-H"	-1.007276
"533639"	950.590024	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M-H"	-1.007276
"908152"	316.191824	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-H"	-1.007276
"62616"	650.417471	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M-2H+NH4"	16.019271
"501245"	967.616571	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M-2H+NH4"	16.019271
"877705"	333.218371	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-2H+NH4"	16.019271
"44512"	655.372866	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M-2H+Na"	20.974666
"485163"	972.571966	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M-2H+Na"	20.974666
"862723"	338.173766	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-2H+Na"	20.974666
"1629218"	338.173766	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Na-2H"	20.974666
"104654"	334.180163	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M-H+Cl"	33.962126
"540933"	492.779713	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M-H+Cl"	33.962126
"941986"	175.580613	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-H+Cl"	33.962126
"281147"	669.367602	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+Cl"	34.969402
"671994"	986.566702	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+Cl"	34.969402
"1287678"	352.168502	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Cl"	34.969402
"29136"	671.346806	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M-2H+K"	36.948606
"470642"	988.545906	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M-2H+K"	36.948606
"845407"	354.147706	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-2H+K"	36.948606
"1564520"	354.147706	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+K-2H"	36.948606
"946937"	362.197294	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-H+HCOOH"	44.998194
"365155"	679.396401	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+HCOOH-H"	44.998201
"354510"	693.412051	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+Hac-H"	59.013851
"1500060"	376.212951	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Hac-H"	59.013851
"964322"	384.179251	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-H+NaCOOH"	66.980151
"110508"	352.168502	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+2Cl"	69.938804
"550113"	510.768052	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+2Cl"	69.938804
"1021586"	193.568952	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2Cl"	69.938804
"1241894"	396.117985	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Br"	78.918885
"1306894"	398.173972	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Cl+HCOOH"	80.974872
"1320747"	420.155929	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Cl+NaCOOH"	102.956829
"911926"	430.184686	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M-H+CF3COOH"	112.985586
"1299815"	466.161364	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Cl+CF3COOH"	148.962264
"1375791"	282.186424	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H-2H2O"	-35.012676
"1392195"	300.1964	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H-H2O"	-17.0027
"289696"	635.405476	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+H"	1.007276
"686492"	952.604576	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+H"	1.007276
"1362841"	318.206376	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H"	1.007276
"131354"	318.206376	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+2H"	2.014552
"567631"	476.805926	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+2H"	2.014552
"1039710"	159.606826	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2H"	2.014552
"216365"	212.473342666667	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+3H"	3.021828
"650455"	318.206376	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+3H"	3.021828
"1170771"	106.740309333333	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+3H"	3.021828
"434053"	652.432023	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+NH4"	18.033823
"796142"	969.631123	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+NH4"	18.033823
"1694297"	335.232923	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+NH4"	18.033823
"344031"	326.7196495	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+H+NH4"	19.041099
"733172"	485.3191995	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+H+NH4"	19.041099
"1482620"	168.1200995	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H+NH4"	19.041099
"404219"	657.387418	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+Na"	22.989218
"762296"	974.586518	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+Na"	22.989218
"1615859"	340.188318	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Na"	22.989218
"323709"	329.197347	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+H+Na"	23.996494
"717224"	487.796897	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+H+Na"	23.996494
"1473964"	170.597797	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H+Na"	23.996494
"1065753"	114.067623333333	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2H+Na"	25.00377
"1268162"	350.232586	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+CH3OH+H"	33.033486
"384551"	673.361358	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+K"	38.963158
"747730"	990.560458	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+K"	38.963158
"1551605"	356.162258	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+K"	38.963158
"309142"	337.184317	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+H+K"	39.970434
"699379"	495.783867	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+H+K"	39.970434
"1451011"	178.584767	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H+K"	39.970434
"242892"	676.432026	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+ACN+H"	42.033826
"1218885"	359.232926	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+ACN+H"	42.033826
"1202773"	180.120101	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+ACN+2H"	43.041102
"189808"	679.36936	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+2Na-H"	44.97116
"631190"	996.56846	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+2Na-H"	44.97116
"1133968"	362.17026	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2Na-H"	44.97116
"174098"	340.188318	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+2Na"	45.978436
"616090"	498.787868	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+2Na"	45.978436
"1119598"	181.588768	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2Na"	45.978436
"1399472"	121.394937333333	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H+2Na"	46.985712
"1432321"	364.211846	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H+HCOOH"	47.012746
"222745"	345.22134	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+3H2O+2H"	56.04448
"1511170"	378.26389	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+IsoProp+H"	61.06479
"410127"	348.175288	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+Na+K"	61.952376
"771122"	506.774838	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+Na+K"	61.952376
"1665778"	189.575738	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Na+K"	61.952376
"251773"	698.413968	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+ACN+Na"	64.015768
"1225628"	381.214868	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+ACN+Na"	64.015768
"1715934"	381.238393	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+NH4+HCOOH"	64.039293
"1182386"	128.722251333333	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+3Na"	68.967654
"1656654"	386.193788	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Na+HCOOH"	68.994688
"158408"	711.31724	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+2K-H"	76.91904
"607088"	1028.51634	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+2K-H"	76.91904
"1091969"	394.11814	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2K-H"	76.91904
"145505"	356.162258	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"2M+2K"	77.926316
"587255"	514.761808	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"3M+2K"	77.926316
"1072861"	197.562708	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2K"	77.926316
"1102061"	396.132692	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2K+H"	78.933592
"1340269"	396.220307	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+DMSO+H"	79.021207
"1009893"	400.259476	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2ACN+H"	83.060376
"1530205"	401.253108	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+IsoProp+Na+H"	84.054008
"994465"	200.633376	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+2ACN+2H"	84.067652
"1594435"	402.167728	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+K+HCOOH"	84.968628
"1419000"	432.199238	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+H+CF3COOH"	115.000138
"1152568"	221.146651	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+3ACN+2H"	125.094202
"1699204"	449.225785	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+NH4+CF3COOH"	132.026685
"1639957"	454.18118	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+Na+CF3COOH"	136.98208
"1574516"	470.15512	"C12508"	"Nateglinide"	"C19H27NO3"	"317.1991"	"M+K+CF3COOH"	152.95602
"814358"	414.2042	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M"	0
"986069"	395.18581	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-H2O-H"	-19.01839
"71034"	275.128857333333	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M-3H"	-3.021828
"511687"	413.196924	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M-3H"	-3.021828
"886209"	137.060790666667	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-3H"	-3.021828
"8065"	413.196924	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M-2H"	-2.014552
"444347"	620.299024	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M-2H"	-2.014552
"829079"	206.094824	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-2H"	-2.014552
"82507"	827.401124	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M-H"	-1.007276
"533257"	1241.605324	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M-H"	-1.007276
"908141"	413.196924	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-H"	-1.007276
"59355"	844.427671	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M-2H+NH4"	16.019271
"501720"	1258.631871	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M-2H+NH4"	16.019271
"868336"	430.223471	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-2H+NH4"	16.019271
"45352"	849.383066	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M-2H+Na"	20.974666
"485275"	1263.587266	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M-2H+Na"	20.974666
"860888"	435.178866	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-2H+Na"	20.974666
"1627141"	435.178866	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Na-2H"	20.974666
"99296"	431.185263	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M-H+Cl"	33.962126
"539949"	638.287363	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M-H+Cl"	33.962126
"930183"	224.083163	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-H+Cl"	33.962126
"281378"	863.377802	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+Cl"	34.969402
"674899"	1277.582002	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+Cl"	34.969402
"1288074"	449.173602	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Cl"	34.969402
"31195"	865.357006	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M-2H+K"	36.948606
"469535"	1279.561206	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M-2H+K"	36.948606
"841144"	451.152806	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-2H+K"	36.948606
"1566818"	451.152806	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+K-2H"	36.948606
"948142"	459.202394	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-H+HCOOH"	44.998194
"367452"	873.406601	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+HCOOH-H"	44.998201
"353527"	887.422251	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+Hac-H"	59.013851
"1501264"	473.218051	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Hac-H"	59.013851
"966619"	481.184351	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-H+NaCOOH"	66.980151
"110786"	449.173602	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+2Cl"	69.938804
"550954"	656.275702	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+2Cl"	69.938804
"1021809"	242.071502	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2Cl"	69.938804
"1243463"	493.123085	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Br"	78.918885
"1308099"	495.179072	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Cl+HCOOH"	80.974872
"1321222"	517.161029	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Cl+NaCOOH"	102.956829
"911914"	527.189786	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M-H+CF3COOH"	112.985586
"1297739"	563.166464	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Cl+CF3COOH"	148.962264
"1375901"	379.191524	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H-2H2O"	-35.012676
"1392305"	397.2015	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H-H2O"	-17.0027
"290899"	829.415676	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+H"	1.007276
"686602"	1243.619876	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+H"	1.007276
"1362951"	415.211476	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H"	1.007276
"135838"	415.211476	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+2H"	2.014552
"569930"	622.313576	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+2H"	2.014552
"1042008"	208.109376	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2H"	2.014552
"209913"	277.143409333333	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+3H"	3.021828
"645464"	415.211476	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+3H"	3.021828
"1162894"	139.075342666667	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+3H"	3.021828
"438172"	846.442223	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+NH4"	18.033823
"800630"	1260.646423	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+NH4"	18.033823
"1692584"	432.238023	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+NH4"	18.033823
"345238"	423.7247495	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+H+NH4"	19.041099
"734377"	630.8268495	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+H+NH4"	19.041099
"1487105"	216.6226495	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H+NH4"	19.041099
"401411"	851.397618	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+Na"	22.989218
"763499"	1265.601818	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+Na"	22.989218
"1614876"	437.193418	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Na"	22.989218
"327101"	426.202447	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+H+Na"	23.996494
"721345"	633.304547	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+H+Na"	23.996494
"1472254"	219.100347	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H+Na"	23.996494
"1063312"	146.402656666667	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2H+Na"	25.00377
"1268270"	447.237686	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+CH3OH+H"	33.033486
"383568"	867.371558	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+K"	38.963158
"748933"	1281.575758	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+K"	38.963158
"1550986"	453.167358	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+K"	38.963158
"308159"	434.189417	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+H+K"	39.970434
"700582"	641.291517	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+H+K"	39.970434
"1451121"	227.087317	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H+K"	39.970434
"243002"	870.442226	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+ACN+H"	42.033826
"1217899"	456.238026	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+ACN+H"	42.033826
"1200696"	228.622651	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+ACN+2H"	43.041102
"196847"	873.37956	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+2Na-H"	44.97116
"632760"	1287.58376	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+2Na-H"	44.97116
"1136632"	459.17536	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2Na-H"	44.97116
"176274"	437.193418	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+2Na"	45.978436
"616568"	644.295518	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+2Na"	45.978436
"1119344"	230.091318	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2Na"	45.978436
"1401407"	153.729970666667	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H+2Na"	46.985712
"1433160"	461.216946	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H+HCOOH"	47.012746
"223950"	442.22644	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+3H2O+2H"	56.04448
"1510192"	475.26899	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+IsoProp+H"	61.06479
"409630"	445.180388	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+Na+K"	61.952376
"770625"	652.282488	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+Na+K"	61.952376
"1666060"	238.078288	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Na+K"	61.952376
"253344"	892.424168	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+ACN+Na"	64.015768
"1226379"	478.219968	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+ACN+Na"	64.015768
"1716044"	478.243493	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+NH4+HCOOH"	64.039293
"1182496"	161.057284666667	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+3Na"	68.967654
"1654942"	483.198888	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Na+HCOOH"	68.994688
"158157"	905.32744	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+2K-H"	76.91904
"605739"	1319.53164	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+2K-H"	76.91904
"1091715"	491.12324	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2K-H"	76.91904
"147803"	453.167358	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"2M+2K"	77.926316
"584080"	660.269458	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"3M+2K"	77.926316
"1071876"	246.065258	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2K"	77.926316
"1102898"	493.137792	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2K+H"	78.933592
"1337220"	493.225407	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+DMSO+H"	79.021207
"1007328"	497.264576	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2ACN+H"	83.060376
"1527034"	498.258208	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+IsoProp+Na+H"	84.054008
"992389"	249.135926	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+2ACN+2H"	84.067652
"1591264"	499.172828	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+K+HCOOH"	84.968628
"1418019"	529.204338	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+H+CF3COOH"	115.000138
"1154866"	269.649201	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+3ACN+2H"	125.094202
"1705511"	546.230885	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+NH4+CF3COOH"	132.026685
"1646630"	551.18628	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+Na+CF3COOH"	136.98208
"1574626"	567.16022	"C12512"	"Eplerenone"	"C24H30O6"	"414.2042"	"M+K+CF3COOH"	152.95602
"804991"	100.0524	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M"	0
"976698"	81.03401	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-H2O-H"	-19.01839
"71144"	65.694324	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M-3H"	-3.021828
"508517"	99.045124	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M-3H"	-3.021828
"883039"	32.343524	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-3H"	-3.021828
"7082"	99.045124	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M-2H"	-2.014552
"444457"	149.071324	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M-2H"	-2.014552
"830646"	49.018924	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-2H"	-2.014552
"82253"	199.097524	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M-H"	-1.007276
"527285"	299.149924	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M-H"	-1.007276
"909831"	99.045124	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-H"	-1.007276
"61409"	216.124071	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M-2H+NH4"	16.019271
"502069"	316.176471	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M-2H+NH4"	16.019271
"879509"	116.071671	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-2H+NH4"	16.019271
"45705"	221.079466	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M-2H+Na"	20.974666
"485021"	321.131866	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M-2H+Na"	20.974666
"859905"	121.027066	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-2H+Na"	20.974666
"1623971"	121.027066	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Na-2H"	20.974666
"99406"	117.033463	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M-H+Cl"	33.962126
"536779"	167.059663	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M-H+Cl"	33.962126
"930293"	67.007263	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-H+Cl"	33.962126
"278692"	235.074202	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+Cl"	34.969402
"674276"	335.126602	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+Cl"	34.969402
"1286681"	135.021802	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Cl"	34.969402
"30207"	237.053406	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M-2H+K"	36.948606
"470009"	337.105806	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M-2H+K"	36.948606
"836879"	137.001006	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-2H+K"	36.948606
"1568021"	137.001006	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+K-2H"	36.948606
"949345"	145.050594	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-H+HCOOH"	44.998194
"368655"	245.103001	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+HCOOH-H"	44.998201
"355822"	259.118651	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+Hac-H"	59.013851
"1501373"	159.066251	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Hac-H"	59.013851
"965634"	167.032551	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-H+NaCOOH"	66.980151
"117824"	135.021802	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+2Cl"	69.938804
"556291"	185.048002	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+2Cl"	69.938804
"1025089"	84.995602	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2Cl"	69.938804
"1242481"	178.971285	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Br"	78.918885
"1312584"	181.027272	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Cl+HCOOH"	80.974872
"1321332"	203.009229	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Cl+NaCOOH"	102.956829
"912756"	213.037986	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M-H+CF3COOH"	112.985586
"1298942"	249.014664	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Cl+CF3COOH"	148.962264
"1372731"	65.039724	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H-2H2O"	-35.012676
"1392415"	83.0497	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H-H2O"	-17.0027
"291009"	201.112076	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+H"	1.007276
"686712"	301.164476	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+H"	1.007276
"1366348"	101.059676	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H"	1.007276
"135948"	101.059676	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+2H"	2.014552
"571133"	151.085876	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+2H"	2.014552
"1044304"	51.033476	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2H"	2.014552
"208200"	67.708876	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+3H"	3.021828
"648489"	101.059676	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+3H"	3.021828
"1165518"	34.358076	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+3H"	3.021828
"439379"	218.138623	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+NH4"	18.033823
"800373"	318.191023	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+NH4"	18.033823
"1695977"	118.086223	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+NH4"	18.033823
"342793"	109.5729495	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+H+NH4"	19.041099
"729020"	159.5991495	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+H+NH4"	19.041099
"1488308"	59.5467495	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H+NH4"	19.041099
"402614"	223.094018	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+Na"	22.989218
"766889"	323.146418	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+Na"	22.989218
"1614622"	123.041618	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Na"	22.989218
"319555"	112.050647	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+H+Na"	23.996494
"716350"	162.076847	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+H+Na"	23.996494
"1474187"	62.024447	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H+Na"	23.996494
"1063423"	41.68539	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2H+Na"	25.00377
"1269109"	133.085886	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+CH3OH+H"	33.033486
"386593"	239.067958	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+K"	38.963158
"750137"	339.120358	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+K"	38.963158
"1550003"	139.015558	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+K"	38.963158
"308269"	120.037617	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+H+K"	39.970434
"700692"	170.063817	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+H+K"	39.970434
"1451231"	70.011417	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H+K"	39.970434
"239832"	242.138626	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+ACN+H"	42.033826
"1214729"	142.086226	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+ACN+H"	42.033826
"1195579"	71.546751	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+ACN+2H"	43.041102
"196957"	245.07596	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+2Na-H"	44.97116
"633236"	345.12836	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+2Na-H"	44.97116
"1134919"	145.02356	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2Na-H"	44.97116
"176751"	123.041618	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+2Na"	45.978436
"618501"	173.067818	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+2Na"	45.978436
"1120182"	73.015418	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2Na"	45.978436
"1400180"	49.012704	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H+2Na"	46.985712
"1431446"	147.065146	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H+HCOOH"	47.012746
"222602"	128.07464	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+3H2O+2H"	56.04448
"1510302"	161.11719	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+IsoProp+H"	61.06479
"409372"	131.028588	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+Na+K"	61.952376
"770489"	181.054788	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+Na+K"	61.952376
"1665966"	81.002388	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Na+K"	61.952376
"251879"	264.120568	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+ACN+Na"	64.015768
"1226289"	164.068168	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+ACN+Na"	64.015768
"1713481"	164.091693	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+NH4+HCOOH"	64.039293
"1182606"	56.340018	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+3Na"	68.967654
"1652136"	169.047088	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Na+HCOOH"	68.994688
"159115"	277.02384	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+2K-H"	76.91904
"605485"	377.07624	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+2K-H"	76.91904
"1092189"	176.97144	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2K-H"	76.91904
"150097"	139.015558	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"2M+2K"	77.926316
"583097"	189.041758	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"3M+2K"	77.926316
"1074171"	88.989358	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2K"	77.926316
"1104101"	178.985992	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2K+H"	78.933592
"1336598"	179.073607	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+DMSO+H"	79.021207
"1011206"	183.112776	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2ACN+H"	83.060376
"1528237"	184.106408	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+IsoProp+Na+H"	84.054008
"993592"	92.060026	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+2ACN+2H"	84.067652
"1592468"	185.021028	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+K+HCOOH"	84.968628
"1418129"	215.052538	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+H+CF3COOH"	115.000138
"1154976"	112.573301	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+3ACN+2H"	125.094202
"1705621"	232.079085	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+NH4+CF3COOH"	132.026685
"1647833"	237.03448	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+Na+CF3COOH"	136.98208
"1574736"	253.00842	"C12518"	"Glutaral;15-Pentanedial;Glutaraldehyde"	"C5H8O2"	"100.0524"	"M+K+CF3COOH"	152.95602
"808381"	292.2402	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M"	0
"974623"	273.22181	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"71255"	193.819524	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"511908"	291.232924	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"883151"	96.406124	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"7192"	291.232924	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"444567"	437.353024	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"830756"	145.112824	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"83821"	583.473124	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"527395"	875.713324	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"910307"	291.232924	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"59575"	600.499671	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"499139"	892.739871	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"875845"	308.259471	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"36824"	605.455066	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"480028"	897.695266	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"856735"	313.214866	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1632711"	313.214866	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"99517"	309.221263	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"537983"	455.341363	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"934778"	163.101163	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"273334"	619.449802	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"665757"	911.690002	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1288127"	327.209602	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"23997"	621.429006	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"462463"	913.669206	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"843551"	329.188806	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1564851"	329.188806	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"953829"	337.238394	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"370952"	629.478601	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"355932"	643.494251	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1504765"	351.254051	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"970119"	359.220351	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"117934"	327.209602	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"553121"	473.329702	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1026293"	181.089502	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1249152"	371.159085	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1315975"	373.215072	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1328004"	395.197029	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"922343"	405.225786	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1299052"	441.202464	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1376121"	257.227524	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1392526"	275.2375	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"291119"	585.487676	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"689740"	877.727876	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1364995"	293.247476	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"136060"	293.247476	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"572338"	439.367576	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1042594"	147.127376	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"212321"	195.834076	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"649327"	293.247476	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1170001"	98.420676	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"439490"	602.514223	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"800360"	894.754423	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1694624"	310.274023	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"343633"	301.7607495	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"732411"	447.8808495	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1489511"	155.6406495	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"402724"	607.469618	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"767000"	899.709818	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1612911"	315.229418	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"325133"	304.238447	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"720836"	450.358547	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1472839"	158.118347	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1062442"	105.74799	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1263026"	325.273686	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"384880"	623.443558	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"744783"	915.683758	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1550111"	331.203358	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"309473"	312.225417	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"699708"	458.345517	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1455717"	166.105317	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"239942"	626.514226	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1218121"	334.274026	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1197999"	167.640651	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"197067"	629.45156	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"631888"	921.69176	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1134298"	337.21136	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"175036"	315.229418	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"616059"	461.349518	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1117497"	169.109318	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1401265"	113.075304	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1433018"	339.252946	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"222348"	320.26244	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1511505"	353.30499	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"411189"	323.216388	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"774009"	469.336488	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1666684"	177.096288	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"252600"	648.496168	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1228838"	356.255968	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1713590"	356.279493	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1182716"	120.402618	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1658078"	361.234888	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"160564"	661.39944	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"610334"	953.63964	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1094121"	369.15924	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"153490"	331.203358	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"587582"	477.323458	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1077561"	185.083258	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1104211"	371.173792	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1339507"	371.261407	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1012409"	375.300576	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1525426"	376.294208	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"990905"	188.153926	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1591485"	377.208828	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1418240"	407.240338	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1157274"	208.667201	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1702451"	424.266885	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1646849"	429.22228	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1574846"	445.19622	"C12525"	"5alpha-Androstan-3beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"805211"	351.1293	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M"	0
"975827"	332.11091	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-H2O-H"	-19.01839
"75735"	233.078924	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M-3H"	-3.021828
"514572"	350.122024	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M-3H"	-3.021828
"883261"	116.035824	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-3H"	-3.021828
"6209"	350.122024	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M-2H"	-2.014552
"443584"	525.686674	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M-2H"	-2.014552
"826859"	174.557374	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-2H"	-2.014552
"83567"	701.251324	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M-H"	-1.007276
"526413"	1052.380624	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M-H"	-1.007276
"909930"	350.122024	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-H"	-1.007276
"57498"	718.277871	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M-2H+NH4"	16.019271
"500221"	1069.407171	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M-2H+NH4"	16.019271
"878628"	367.148571	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-2H+NH4"	16.019271
"36934"	723.233266	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M-2H+Na"	20.974666
"482325"	1074.362566	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M-2H+Na"	20.974666
"859032"	372.103966	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-2H+Na"	20.974666
"1631849"	372.103966	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Na-2H"	20.974666
"100721"	368.110363	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M-H+Cl"	33.962126
"540280"	543.675013	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M-H+Cl"	33.962126
"934888"	192.545713	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-H+Cl"	33.962126
"273444"	737.228002	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+Cl"	34.969402
"668054"	1088.357302	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+Cl"	34.969402
"1286778"	386.098702	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Cl"	34.969402
"21921"	739.207206	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M-2H+K"	36.948606
"461480"	1090.336506	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M-2H+K"	36.948606
"839282"	388.077906	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-2H+K"	36.948606
"1564961"	388.077906	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+K-2H"	36.948606
"952846"	396.127494	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-H+HCOOH"	44.998194
"371063"	747.256801	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+HCOOH-H"	44.998201
"357136"	761.272451	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+Hac-H"	59.013851
"1505604"	410.143151	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Hac-H"	59.013851
"969136"	418.109451	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-H+NaCOOH"	66.980151
"118044"	386.098702	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+2Cl"	69.938804
"554325"	561.663352	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+2Cl"	69.938804
"1031871"	210.534052	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2Cl"	69.938804
"1241608"	430.048185	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Br"	78.918885
"1307337"	432.104172	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Cl+HCOOH"	80.974872
"1322282"	454.086129	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Cl+NaCOOH"	102.956829
"912246"	464.114886	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M-H+CF3COOH"	112.985586
"1290415"	500.091564	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Cl+CF3COOH"	148.962264
"1367319"	316.116624	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H-2H2O"	-35.012676
"1389356"	334.1266	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H-H2O"	-17.0027
"291229"	703.265876	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+H"	1.007276
"691068"	1054.395176	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+H"	1.007276
"1366565"	352.136576	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H"	1.007276
"139088"	352.136576	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+2H"	2.014552
"574636"	527.701226	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+2H"	2.014552
"1046716"	176.571926	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2H"	2.014552
"211338"	235.093476	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+3H"	3.021828
"648708"	352.136576	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+3H"	3.021828
"1166831"	118.050376	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+3H"	3.021828
"437773"	720.292423	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+NH4"	18.033823
"799135"	1071.421723	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+NH4"	18.033823
"1691819"	369.163123	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+NH4"	18.033823
"339003"	360.6498495	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+H+NH4"	19.041099
"727053"	536.2144995	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+H+NH4"	19.041099
"1485247"	185.0851995	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H+NH4"	19.041099
"403927"	725.247818	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+Na"	22.989218
"762737"	1076.377118	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+Na"	22.989218
"1611928"	374.118518	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Na"	22.989218
"326338"	363.127547	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+H+Na"	23.996494
"719853"	538.692197	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+H+Na"	23.996494
"1471856"	187.562897	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H+Na"	23.996494
"1061459"	125.37769	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2H+Na"	25.00377
"1263864"	384.162786	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+CH3OH+H"	33.033486
"385718"	741.221758	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+K"	38.963158
"748898"	1092.351058	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+K"	38.963158
"1542930"	390.092458	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+K"	38.963158
"308490"	371.114517	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+H+K"	39.970434
"700911"	546.679167	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+H+K"	39.970434
"1455827"	195.549867	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H+K"	39.970434
"242239"	744.292426	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+ACN+H"	42.033826
"1219324"	393.163126	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+ACN+H"	42.033826
"1201027"	197.085201	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+ACN+2H"	43.041102
"197177"	747.22976	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+2Na-H"	44.97116
"630906"	1098.35906	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+2Na-H"	44.97116
"1135141"	396.10046	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2Na-H"	44.97116
"174785"	374.118518	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+2Na"	45.978436
"619449"	549.683168	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+2Na"	45.978436
"1117122"	198.553868	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2Na"	45.978436
"1400647"	132.705004	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H+2Na"	46.985712
"1433493"	398.142046	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H+HCOOH"	47.012746
"223189"	379.15154	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+3H2O+2H"	56.04448
"1512344"	412.19409	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+IsoProp+H"	61.06479
"410935"	382.105488	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+Na+K"	61.952376
"771566"	557.670138	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+Na+K"	61.952376
"1667168"	206.540838	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Na+K"	61.952376
"251616"	766.274368	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+ACN+Na"	64.015768
"1228584"	415.145068	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+ACN+Na"	64.015768
"1713458"	415.168593	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+NH4+HCOOH"	64.039293
"1182826"	140.032318	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+3Na"	68.967654
"1660375"	420.123988	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Na+HCOOH"	68.994688
"162861"	779.17764	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+2K-H"	76.91904
"607165"	1130.30694	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+2K-H"	76.91904
"1088033"	428.04834	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2K-H"	76.91904
"149227"	390.092458	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"2M+2K"	77.926316
"586599"	565.657108	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"3M+2K"	77.926316
"1075485"	214.527808	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2K"	77.926316
"1102135"	430.062892	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2K+H"	78.933592
"1341801"	430.150507	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+DMSO+H"	79.021207
"1012519"	434.189676	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2ACN+H"	83.060376
"1528457"	435.183308	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+IsoProp+Na+H"	84.054008
"991625"	217.598476	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+2ACN+2H"	84.067652
"1590503"	436.097928	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+K+HCOOH"	84.968628
"1417256"	466.129438	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+H+CF3COOH"	115.000138
"1158477"	238.111751	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+3ACN+2H"	125.094202
"1705841"	483.155985	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+NH4+CF3COOH"	132.026685
"1646959"	488.11138	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+Na+CF3COOH"	136.98208
"1574956"	504.08532	"C12531"	"Tazarotene"	"C21H21NO2S"	"351.1293"	"M+K+CF3COOH"	152.95602
"815162"	157.1103	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M"	0
"978853"	138.09191	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-H2O-H"	-19.01839
"75845"	103.732924	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M-3H"	-3.021828
"515410"	156.103024	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M-3H"	-3.021828
"894912"	51.362824	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-3H"	-3.021828
"9595"	156.103024	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M-2H"	-2.014552
"444788"	234.658174	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M-2H"	-2.014552
"831711"	77.547874	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-2H"	-2.014552
"88053"	313.213324	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M-H"	-1.007276
"530898"	470.323624	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M-H"	-1.007276
"907609"	156.103024	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-H"	-1.007276
"60525"	330.239871	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M-2H+NH4"	16.019271
"501911"	487.350171	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M-2H+NH4"	16.019271
"877767"	173.129571	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-2H+NH4"	16.019271
"40691"	335.195266	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M-2H+Na"	20.974666
"485353"	492.305566	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M-2H+Na"	20.974666
"858050"	178.084966	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-2H+Na"	20.974666
"1631596"	178.084966	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Na-2H"	20.974666
"105206"	174.091363	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M-H+Cl"	33.962126
"543672"	252.646513	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M-H+Cl"	33.962126
"931718"	95.536213	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-H+Cl"	33.962126
"272458"	349.190002	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+Cl"	34.969402
"670353"	506.300302	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+Cl"	34.969402
"1283849"	192.079702	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Cl"	34.969402
"26406"	351.169206	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M-2H+K"	36.948606
"467059"	508.279506	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M-2H+K"	36.948606
"839395"	194.058906	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-2H+K"	36.948606
"1567259"	194.058906	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+K-2H"	36.948606
"956237"	202.108494	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-H+HCOOH"	44.998194
"376279"	359.218801	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+HCOOH-H"	44.998201
"357975"	373.234451	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+Hac-H"	59.013851
"1506079"	216.124151	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Hac-H"	59.013851
"970704"	224.090451	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-H+NaCOOH"	66.980151
"117061"	192.079702	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+2Cl"	69.938804
"554435"	270.634852	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+2Cl"	69.938804
"1027609"	113.524552	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2Cl"	69.938804
"1248280"	236.029185	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Br"	78.918885
"1308541"	238.085172	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Cl+HCOOH"	80.974872
"1330412"	260.067129	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Cl+NaCOOH"	102.956829
"916003"	270.095886	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M-H+CF3COOH"	112.985586
"1294899"	306.072564	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Cl+CF3COOH"	148.962264
"1376341"	122.097624	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H-2H2O"	-35.012676
"1392746"	140.1076	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H-H2O"	-17.0027
"293527"	315.227876	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+H"	1.007276
"690937"	472.338176	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+H"	1.007276
"1366069"	158.117576	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H"	1.007276
"138470"	158.117576	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+2H"	2.014552
"580340"	236.672726	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+2H"	2.014552
"1047921"	79.562426	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2H"	2.014552
"212541"	105.747476	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+3H"	3.021828
"649914"	158.117576	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+3H"	3.021828
"1166215"	53.377376	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+3H"	3.021828
"437883"	332.254423	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+NH4"	18.033823
"798879"	489.364723	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+NH4"	18.033823
"1691929"	175.144123	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+NH4"	18.033823
"339113"	166.6308495	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+H+NH4"	19.041099
"723883"	245.1859995	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+H+NH4"	19.041099
"1484264"	88.0756995	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H+NH4"	19.041099
"403673"	337.209818	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+Na"	22.989218
"762847"	494.320118	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+Na"	22.989218
"1612038"	180.099518	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Na"	22.989218
"323171"	169.108547	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+H+Na"	23.996494
"717779"	247.663697	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+H+Na"	23.996494
"1471603"	90.553397	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H+Na"	23.996494
"1063756"	60.70469	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2H+Na"	25.00377
"1262153"	190.143786	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+CH3OH+H"	33.033486
"385102"	353.183758	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+K"	38.963158
"747188"	510.294058	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+K"	38.963158
"1551426"	196.073458	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+K"	38.963158
"309696"	177.095517	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+H+K"	39.970434
"701023"	255.650667	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+H+K"	39.970434
"1455937"	98.540367	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H+K"	39.970434
"241256"	356.254426	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+ACN+H"	42.033826
"1220530"	199.144126	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+ACN+H"	42.033826
"1201137"	100.075701	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+ACN+2H"	43.041102
"195465"	359.19176	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+2Na-H"	44.97116
"631746"	516.30206	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+2Na-H"	44.97116
"1137074"	202.08146	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2Na-H"	44.97116
"175260"	180.099518	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+2Na"	45.978436
"617008"	258.654668	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+2Na"	45.978436
"1118326"	101.544368	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2Na"	45.978436
"1404039"	68.032004	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H+2Na"	46.985712
"1433239"	204.123046	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H+HCOOH"	47.012746
"222568"	185.13254	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+3H2O+2H"	56.04448
"1514641"	218.17509	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+IsoProp+H"	61.06479
"415419"	188.086488	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+Na+K"	61.952376
"776416"	266.641638	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+Na+K"	61.952376
"1669465"	109.531338	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Na+K"	61.952376
"253795"	378.236368	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+ACN+Na"	64.015768
"1230881"	221.126068	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+ACN+Na"	64.015768
"1715027"	221.149593	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+NH4+HCOOH"	64.039293
"1182936"	75.359318	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+3Na"	68.967654
"1656115"	226.104988	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Na+HCOOH"	68.994688
"166253"	391.13964	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+2K-H"	76.91904
"599258"	548.24994	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+2K-H"	76.91904
"1088142"	234.02934	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2K-H"	76.91904
"143018"	196.073458	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"2M+2K"	77.926316
"581516"	274.628608	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"3M+2K"	77.926316
"1069273"	117.518308	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2K"	77.926316
"1103340"	236.043892	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2K+H"	78.933592
"1336321"	236.131507	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+DMSO+H"	79.021207
"1005986"	240.170676	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2ACN+H"	83.060376
"1524795"	241.164308	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+IsoProp+Na+H"	84.054008
"990063"	120.588976	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+2ACN+2H"	84.067652
"1588546"	242.078928	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+K+HCOOH"	84.968628
"1418460"	272.110438	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+H+CF3COOH"	115.000138
"1158587"	141.102251	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+3ACN+2H"	125.094202
"1704858"	289.136985	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+NH4+CF3COOH"	132.026685
"1643789"	294.09238	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+Na+CF3COOH"	136.98208
"1575066"	310.06632	"C12535"	"Tranexamic acid"	"C8H15NO2"	"157.1103"	"M+K+CF3COOH"	152.95602
"806524"	212.0837	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M"	0
"978961"	193.06531	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"70486"	140.381857333333	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"518397"	211.076424	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"895345"	69.6872906666667	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"9705"	211.076424	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"450368"	317.118274	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"831455"	105.034574	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"92417"	423.160124	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"528814"	635.243824	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"908328"	211.076424	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"59905"	440.186671	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"500685"	652.270371	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"877147"	228.102971	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"40801"	445.142066	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"484006"	657.225766	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"857067"	233.058366	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1629885"	233.058366	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"103129"	229.064763	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"544875"	335.106613	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"936203"	123.022913	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"273666"	459.136802	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"670463"	671.220502	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1283960"	247.053102	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"26517"	461.116006	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"467169"	673.199706	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"842785"	249.032306	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1558621"	249.032306	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"956718"	257.081894	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"375419"	469.165601	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"358816"	483.181251	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1505462"	271.097551	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"970086"	279.063851	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"117171"	247.053102	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"557825"	353.094952	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1033185"	141.011252	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1255803"	291.002585	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1311931"	293.058572	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1329429"	315.040529	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"916113"	325.069286	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1296102"	361.045964	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1376451"	177.071024	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1396018"	195.081	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"294730"	425.174676	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"688251"	637.258376	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1366830"	213.090976	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"135301"	213.090976	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"573766"	319.132826	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1049491"	107.049126	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"209371"	142.396409333333	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"650024"	213.090976	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1170334"	71.7018426666667	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"429236"	442.201223	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"797892"	654.284923	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1690945"	230.117523	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"340317"	221.6042495	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"729461"	327.6460995	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1484375"	115.5623995	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"397586"	447.156618	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"762956"	659.240318	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1613971"	235.072918	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"324373"	224.081947	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"716432"	330.123797	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1470982"	118.040097	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1060586"	79.0291566666667	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1261170"	245.117186	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"384118"	463.130558	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"748394"	675.214258	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1548988"	251.046858	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"307622"	232.068917	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"702958"	338.110767	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1452772"	126.027067	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"246836"	466.201226	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1220638"	254.117526	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1202341"	127.562401	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"200678"	469.13856	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"630397"	681.22226	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1133902"	257.05486	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"177557"	235.072918	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"614202"	341.114768	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1119164"	129.031068	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1401961"	86.3564706666667	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1431158"	259.096446	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"223405"	240.10594	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1512928"	273.14849	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"412249"	243.059888	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"774340"	349.101738	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1672855"	137.018038	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"253542"	488.183168	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1230991"	276.099468	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1715137"	276.122993	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1190703"	93.6837846666667	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1655126"	281.078388	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"161986"	501.08644	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"603742"	713.17014	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1087159"	289.00274	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"146166"	251.046858	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"583174"	357.088708	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1070481"	145.005008	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1106730"	291.017292	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1338743"	291.104907	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1006298"	295.144076	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1524579"	296.137708	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"990261"	148.075676	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1588901"	297.052328	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1420757"	327.083838	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1158699"	168.588951	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1704968"	344.110385	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1643899"	349.06578	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1575176"	365.03972	"C12537"	"Benzyl benzoate"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"805541"	53.0032	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M"	0
"976156"	33.98481	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-H2O-H"	-19.01839
"68410"	34.3281906666667	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M-3H"	-3.021828
"516721"	51.995924	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M-3H"	-3.021828
"889054"	16.6604573333333	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-3H"	-3.021828
"8721"	51.995924	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M-2H"	-2.014552
"450478"	78.497524	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M-2H"	-2.014552
"832672"	25.494324	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-2H"	-2.014552
"93500"	104.999124	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M-H"	-1.007276
"530017"	158.002324	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M-H"	-1.007276
"908919"	51.995924	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-H"	-1.007276
"53454"	122.025671	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M-2H+NH4"	16.019271
"502013"	175.028871	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M-2H+NH4"	16.019271
"879249"	69.022471	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-2H+NH4"	16.019271
"42005"	126.981066	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M-2H+Na"	20.974666
"484846"	179.984266	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M-2H+Na"	20.974666
"862281"	73.977866	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-2H+Na"	20.974666
"1631815"	73.977866	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Na-2H"	20.974666
"104333"	69.984263	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M-H+Cl"	33.962126
"541705"	96.485863	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M-H+Cl"	33.962126
"934125"	43.482663	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-H+Cl"	33.962126
"272681"	140.975802	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+Cl"	34.969402
"672760"	193.979002	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+Cl"	34.969402
"1285163"	87.972602	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Cl"	34.969402
"29907"	142.955006	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M-2H+K"	36.948606
"463999"	195.958206	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M-2H+K"	36.948606
"845083"	89.951806	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-2H+K"	36.948606
"1558731"	89.951806	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+K-2H"	36.948606
"955363"	98.001394	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-H+HCOOH"	44.998194
"376136"	151.004601	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+HCOOH-H"	44.998201
"360261"	165.020251	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+Hac-H"	59.013851
"1506667"	112.017051	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Hac-H"	59.013851
"973603"	119.983351	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-H+NaCOOH"	66.980151
"120199"	87.972602	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+2Cl"	69.938804
"561217"	114.474202	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+2Cl"	69.938804
"1035484"	61.471002	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2Cl"	69.938804
"1255063"	131.922085	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Br"	78.918885
"1319092"	133.978072	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Cl+HCOOH"	80.974872
"1334282"	155.960029	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Cl+NaCOOH"	102.956829
"924973"	165.988786	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M-H+CF3COOH"	112.985586
"1302775"	201.965464	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Cl+CF3COOH"	148.962264
"1377657"	17.990524	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H-2H2O"	-35.012676
"1396250"	36.0005	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H-H2O"	-17.0027
"294841"	107.013676	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+H"	1.007276
"690192"	160.016876	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+H"	1.007276
"1365812"	54.010476	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H"	1.007276
"139787"	54.010476	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+2H"	2.014552
"580807"	80.512076	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+2H"	2.014552
"1052522"	27.508876	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2H"	2.014552
"214948"	36.3427426666667	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+3H"	3.021828
"653417"	54.010476	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+3H"	3.021828
"1170447"	18.6750093333333	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+3H"	3.021828
"436639"	124.040223	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+NH4"	18.033823
"797999"	177.043423	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+NH4"	18.033823
"1696726"	71.037023	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+NH4"	18.033823
"341521"	62.5237495	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+H+NH4"	19.041099
"731759"	89.0253495	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+H+NH4"	19.041099
"1487767"	36.0221495	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H+NH4"	19.041099
"397699"	128.995618	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+Na"	22.989218
"764162"	181.998818	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+Na"	22.989218
"1611171"	75.992418	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Na"	22.989218
"326672"	65.001447	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+H+Na"	23.996494
"718002"	91.503047	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+H+Na"	23.996494
"1472549"	38.499847	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H+Na"	23.996494
"1067257"	26.0023233333333	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2H+Na"	25.00377
"1268935"	86.036686	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+CH3OH+H"	33.033486
"386414"	144.969558	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+K"	38.963158
"750690"	197.972758	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+K"	38.963158
"1551649"	91.966358	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+K"	38.963158
"311012"	72.988417	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+H+K"	39.970434
"704524"	99.490017	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+H+K"	39.970434
"1458712"	46.486817	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H+K"	39.970434
"246946"	148.040226	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+ACN+H"	42.033826
"1222935"	95.037026	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+ACN+H"	42.033826
"1205730"	48.022151	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+ACN+2H"	43.041102
"201881"	150.97756	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+2Na-H"	44.97116
"642899"	203.98076	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+2Na-H"	44.97116
"1144587"	97.97436	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2Na-H"	44.97116
"184957"	75.992418	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+2Na"	45.978436
"618322"	102.494018	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+2Na"	45.978436
"1125836"	49.490818	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2Na"	45.978436
"1406083"	33.3296373333333	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H+2Na"	46.985712
"1434550"	100.015946	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H+HCOOH"	47.012746
"223516"	81.02544	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+3H2O+2H"	56.04448
"1515955"	114.06799	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+IsoProp+H"	61.06479
"413087"	83.979388	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+Na+K"	61.952376
"775543"	110.480988	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+Na+K"	61.952376
"1667861"	57.477788	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Na+K"	61.952376
"252193"	170.022168	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+ACN+Na"	64.015768
"1228913"	117.018968	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+ACN+Na"	64.015768
"1715247"	117.042493	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+NH4+HCOOH"	64.039293
"1186437"	40.6569513333333	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+3Na"	68.967654
"1655600"	121.997888	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Na+HCOOH"	68.994688
"162096"	182.92544	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+2K-H"	76.91904
"606038"	235.92864	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+2K-H"	76.91904
"1088363"	129.92224	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2K-H"	76.91904
"151014"	91.966358	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"2M+2K"	77.926316
"585837"	118.467958	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"3M+2K"	77.926316
"1075816"	65.464758	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2K"	77.926316
"1107933"	131.936792	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2K+H"	78.933592
"1345413"	132.024407	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+DMSO+H"	79.021207
"1012849"	136.063576	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2ACN+H"	83.060376
"1526723"	137.057208	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+IsoProp+Na+H"	84.054008
"993049"	68.535426	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+2ACN+2H"	84.067652
"1591928"	137.971828	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+K+HCOOH"	84.968628
"1424148"	168.003338	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+H+CF3COOH"	115.000138
"1158809"	89.048701	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+3ACN+2H"	125.094202
"1706171"	185.029885	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+NH4+CF3COOH"	132.026685
"1644009"	189.98528	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+Na+CF3COOH"	136.98208
"1575286"	205.95922	"C12538"	"Ammonium chloride"	"NH4Cl"	"53.0032"	"M+K+CF3COOH"	152.95602
"805651"	447.2904	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M"	0
"976995"	428.27201	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-H2O-H"	-19.01839
"69613"	297.186324	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M-3H"	-3.021828
"509175"	446.283124	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M-3H"	-3.021828
"884789"	148.089524	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-3H"	-3.021828
"5550"	446.283124	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M-2H"	-2.014552
"447306"	669.928324	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M-2H"	-2.014552
"830580"	222.637924	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-2H"	-2.014552
"90569"	893.573524	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M-H"	-1.007276
"529034"	1340.863924	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M-H"	-1.007276
"909028"	446.283124	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-H"	-1.007276
"60123"	910.600071	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M-2H+NH4"	16.019271
"501628"	1357.890471	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M-2H+NH4"	16.019271
"874203"	463.309671	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-2H+NH4"	16.019271
"46364"	915.555466	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M-2H+Na"	20.974666
"484588"	1362.845866	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M-2H+Na"	20.974666
"863690"	468.265066	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-2H+Na"	20.974666
"1633956"	468.265066	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Na-2H"	20.974666
"105538"	464.271463	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M-H+Cl"	33.962126
"544003"	687.916663	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M-H+Cl"	33.962126
"933142"	240.626263	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-H+Cl"	33.962126
"273885"	929.550202	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+Cl"	34.969402
"673964"	1376.840602	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+Cl"	34.969402
"1284180"	482.259802	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Cl"	34.969402
"30989"	931.529406	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M-2H+K"	36.948606
"464109"	1378.819806	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M-2H+K"	36.948606
"847379"	484.239006	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-2H+K"	36.948606
"1562121"	484.239006	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+K-2H"	36.948606
"953286"	492.288594	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-H+HCOOH"	44.998194
"375152"	939.579001	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+HCOOH-H"	44.998201
"357572"	953.594651	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+Hac-H"	59.013851
"1507751"	506.304251	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Hac-H"	59.013851
"973841"	514.270551	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-H+NaCOOH"	66.980151
"124684"	482.259802	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+2Cl"	69.938804
"565548"	705.905002	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+2Cl"	69.938804
"1035962"	258.614602	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2Cl"	69.938804
"1256268"	526.209285	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Br"	78.918885
"1317621"	528.265272	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Cl+HCOOH"	80.974872
"1333299"	550.247229	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Cl+NaCOOH"	102.956829
"923990"	560.275986	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M-H+CF3COOH"	112.985586
"1302522"	596.252664	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Cl+CF3COOH"	148.962264
"1377767"	412.277724	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H-2H2O"	-35.012676
"1396362"	430.2877	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H-H2O"	-17.0027
"295681"	895.588076	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+H"	1.007276
"691026"	1342.878476	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+H"	1.007276
"1366161"	448.297676	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H"	1.007276
"137348"	448.297676	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+2H"	2.014552
"580191"	671.942876	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+2H"	2.014552
"1051904"	224.652476	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2H"	2.014552
"213964"	299.200876	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+3H"	3.021828
"656080"	448.297676	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+3H"	3.021828
"1172746"	150.104076	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+3H"	3.021828
"437113"	912.614623	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+NH4"	18.033823
"797015"	1359.905023	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+NH4"	18.033823
"1695545"	465.324223	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+NH4"	18.033823
"340908"	456.8109495	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+H+NH4"	19.041099
"729683"	680.4561495	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+H+NH4"	19.041099
"1490431"	233.1657495	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H+NH4"	19.041099
"404371"	917.570018	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+Na"	22.989218
"767919"	1364.860418	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+Na"	22.989218
"1614560"	470.279618	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Na"	22.989218
"328605"	459.288647	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+H+Na"	23.996494
"721390"	682.933847	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+H+Na"	23.996494
"1473023"	235.643447	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H+Na"	23.996494
"1067368"	157.43139	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2H+Na"	25.00377
"1271964"	480.323886	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+CH3OH+H"	33.033486
"391991"	933.543958	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+K"	38.963158
"752624"	1380.834358	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+K"	38.963158
"1555326"	486.253558	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+K"	38.963158
"312581"	467.275617	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+H+K"	39.970434
"705728"	690.920817	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+H+K"	39.970434
"1458455"	243.630417	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H+K"	39.970434
"248150"	936.614626	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+ACN+H"	42.033826
"1223045"	489.324226	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+ACN+H"	42.033826
"1206936"	245.165751	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+ACN+2H"	43.041102
"203937"	939.55196	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+2Na-H"	44.97116
"641917"	1386.84236	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+2Na-H"	44.97116
"1143966"	492.26156	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2Na-H"	44.97116
"186890"	470.279618	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+2Na"	45.978436
"619525"	693.924818	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+2Na"	45.978436
"1125945"	246.634418	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2Na"	45.978436
"1404006"	164.758704	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H+2Na"	46.985712
"1432842"	494.303146	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H+HCOOH"	47.012746
"223265"	475.31264	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+3H2O+2H"	56.04448
"1519345"	508.35519	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+IsoProp+H"	61.06479
"415749"	478.266588	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+Na+K"	61.952376
"778933"	701.911788	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+Na+K"	61.952376
"1665783"	254.621388	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Na+K"	61.952376
"251935"	958.596568	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+ACN+Na"	64.015768
"1226107"	511.306168	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+ACN+Na"	64.015768
"1713412"	511.329693	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+NH4+HCOOH"	64.039293
"1183264"	172.086018	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+3Na"	68.967654
"1658626"	516.285088	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Na+HCOOH"	68.994688
"157259"	971.49984	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+2K-H"	76.91904
"607241"	1418.79024	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+2K-H"	76.91904
"1093940"	524.20944	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2K-H"	76.91904
"151853"	486.253558	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"2M+2K"	77.926316
"591415"	709.898758	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"3M+2K"	77.926316
"1078113"	262.608358	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2K"	77.926316
"1112054"	526.223992	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2K+H"	78.933592
"1345526"	526.311607	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+DMSO+H"	79.021207
"1016242"	530.350776	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2ACN+H"	83.060376
"1528901"	531.344408	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+IsoProp+Na+H"	84.054008
"1000815"	265.679026	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+2ACN+2H"	84.067652
"1596411"	532.259028	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+K+HCOOH"	84.968628
"1426445"	562.290538	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+H+CF3COOH"	115.000138
"1160012"	286.192301	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+3ACN+2H"	125.094202
"1705188"	579.317085	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+NH4+CF3COOH"	132.026685
"1646306"	584.27248	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+Na+CF3COOH"	136.98208
"1575396"	600.24642	"C12539"	"Benzethonium chloride"	"C27H42NO2Cl"	"447.2904"	"M+K+CF3COOH"	152.95602
"805761"	280.063	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M"	0
"975079"	261.04461	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-H2O-H"	-19.01839
"68630"	185.701390666667	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M-3H"	-3.021828
"507098"	279.055724	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M-3H"	-3.021828
"881619"	92.3470573333333	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-3H"	-3.021828
"5660"	279.055724	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M-2H"	-2.014552
"446321"	419.087224	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M-2H"	-2.014552
"828503"	139.024224	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-2H"	-2.014552
"89586"	559.118724	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M-H"	-1.007276
"528051"	839.181724	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M-H"	-1.007276
"902571"	279.055724	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-H"	-1.007276
"53663"	576.145271	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M-2H+NH4"	16.019271
"489213"	856.208271	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M-2H+NH4"	16.019271
"873220"	296.082271	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-2H+NH4"	16.019271
"43307"	581.100666	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M-2H+Na"	20.974666
"482873"	861.163666	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M-2H+Na"	20.974666
"861043"	301.037666	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-2H+Na"	20.974666
"1630942"	301.037666	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Na-2H"	20.974666
"105645"	297.044063	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M-H+Cl"	33.962126
"544111"	437.075563	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M-H+Cl"	33.962126
"933252"	157.012563	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-H+Cl"	33.962126
"269981"	595.095402	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+Cl"	34.969402
"664231"	875.158402	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+Cl"	34.969402
"1284290"	315.032402	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Cl"	34.969402
"23565"	597.074606	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M-2H+K"	36.948606
"458020"	877.137606	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M-2H+K"	36.948606
"836551"	317.011606	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-2H+K"	36.948606
"1556763"	317.011606	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+K-2H"	36.948606
"950115"	325.061194	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-H+HCOOH"	44.998194
"374529"	605.124201	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+HCOOH-H"	44.998201
"354402"	619.139851	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+Hac-H"	59.013851
"1508225"	339.076851	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Hac-H"	59.013851
"973990"	347.043151	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-H+NaCOOH"	66.980151
"120782"	315.032402	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+2Cl"	69.938804
"561436"	455.063902	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+2Cl"	69.938804
"1032421"	175.000902	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2Cl"	69.938804
"1253092"	358.981885	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Br"	78.918885
"1317727"	361.037872	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Cl+HCOOH"	80.974872
"1333409"	383.019829	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Cl+NaCOOH"	102.956829
"924100"	393.048586	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M-H+CF3COOH"	112.985586
"1302995"	429.025264	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Cl+CF3COOH"	148.962264
"1377877"	245.050324	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H-2H2O"	-35.012676
"1396836"	263.0603	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H-H2O"	-17.0027
"297247"	561.133276	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+H"	1.007276
"690043"	841.196276	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+H"	1.007276
"1365543"	281.070276	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H"	1.007276
"137456"	281.070276	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+2H"	2.014552
"579814"	421.101776	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+2H"	2.014552
"1051528"	141.038776	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2H"	2.014552
"212981"	187.715942666667	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+3H"	3.021828
"654734"	281.070276	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+3H"	3.021828
"1172856"	94.3616093333333	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+3H"	3.021828
"435766"	578.159823	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+NH4"	18.033823
"796032"	858.222823	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+NH4"	18.033823
"1690175"	298.096823	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+NH4"	18.033823
"344166"	289.5835495	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+H+NH4"	19.041099
"730887"	429.6150495	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+H+NH4"	19.041099
"1490177"	149.5520495	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H+NH4"	19.041099
"404481"	583.115218	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+Na"	22.989218
"767301"	863.178218	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+Na"	22.989218
"1615764"	303.052218	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Na"	22.989218
"328957"	292.061247	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+H+Na"	23.996494
"721136"	432.092747	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+H+Na"	23.996494
"1472040"	152.029747	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H+Na"	23.996494
"1066385"	101.688923333333	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2H+Na"	25.00377
"1271344"	313.096486	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+CH3OH+H"	33.033486
"392101"	599.089158	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+K"	38.963158
"753100"	879.152158	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+K"	38.963158
"1554422"	319.026158	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+K"	38.963158
"312328"	300.048217	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+H+K"	39.970434
"706567"	440.079717	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+H+K"	39.970434
"1458565"	160.016717	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H+K"	39.970434
"248260"	602.159826	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+ACN+H"	42.033826
"1220969"	322.096826	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+ACN+H"	42.033826
"1204860"	161.552051	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+ACN+2H"	43.041102
"202831"	605.09716	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+2Na-H"	44.97116
"640569"	885.16016	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+2Na-H"	44.97116
"1143713"	325.03416	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2Na-H"	44.97116
"185906"	303.052218	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+2Na"	45.978436
"616719"	443.083718	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+2Na"	45.978436
"1122775"	163.020718	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2Na"	45.978436
"1406303"	109.016237333333	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H+2Na"	46.985712
"1439513"	327.075746	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H+HCOOH"	47.012746
"224103"	308.08524	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+3H2O+2H"	56.04448
"1519456"	341.12779	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+IsoProp+H"	61.06479
"413307"	311.039188	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+Na+K"	61.952376
"777950"	451.070688	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+Na+K"	61.952376
"1665887"	171.007688	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Na+K"	61.952376
"251681"	624.141768	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+ACN+Na"	64.015768
"1226581"	344.078768	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+ACN+Na"	64.015768
"1713150"	344.102293	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+NH4+HCOOH"	64.039293
"1182281"	116.343551333333	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+3Na"	68.967654
"1656548"	349.057688	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Na+HCOOH"	68.994688
"157203"	637.04504	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+2K-H"	76.91904
"605164"	917.10804	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+2K-H"	76.91904
"1090770"	356.98204	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2K-H"	76.91904
"147590"	319.026158	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"2M+2K"	77.926316
"591523"	459.057658	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"3M+2K"	77.926316
"1078223"	178.994658	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2K"	77.926316
"1112528"	358.996592	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2K+H"	78.933592
"1350250"	359.084207	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+DMSO+H"	79.021207
"1016352"	363.123376	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2ACN+H"	83.060376
"1533382"	364.117008	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+IsoProp+Na+H"	84.054008
"1002018"	182.065326	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+2ACN+2H"	84.067652
"1597614"	365.031628	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+K+HCOOH"	84.968628
"1426554"	395.063138	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+H+CF3COOH"	115.000138
"1160121"	202.578601	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+3ACN+2H"	125.094202
"1706391"	412.089685	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+NH4+CF3COOH"	132.026685
"1648239"	417.04508	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+Na+CF3COOH"	136.98208
"1575506"	433.01902	"C12540"	"Sulfamonomethoxine"	"C11H12N4O3S"	"280.063"	"M+K+CF3COOH"	152.95602
"805871"	467.3148	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M"	0
"974540"	448.29641	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-H2O-H"	-19.01839
"69833"	310.535924	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M-3H"	-3.021828
"504047"	466.307524	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M-3H"	-3.021828
"880876"	154.764324	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-3H"	-3.021828
"1394"	466.307524	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M-2H"	-2.014552
"445337"	699.964924	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M-2H"	-2.014552
"831045"	232.650124	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-2H"	-2.014552
"91882"	933.622324	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M-H"	-1.007276
"528161"	1400.937124	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M-H"	-1.007276
"902680"	466.307524	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-H"	-1.007276
"50493"	950.648871	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M-2H+NH4"	16.019271
"489321"	1417.963671	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M-2H+NH4"	16.019271
"874422"	483.334071	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-2H+NH4"	16.019271
"44511"	955.604266	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M-2H+Na"	20.974666
"477507"	1422.919066	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M-2H+Na"	20.974666
"859695"	488.289466	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-2H+Na"	20.974666
"1629958"	488.289466	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Na-2H"	20.974666
"102475"	484.295863	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M-H+Cl"	33.962126
"538754"	717.953263	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M-H+Cl"	33.962126
"935549"	250.638463	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-H+Cl"	33.962126
"271551"	969.599002	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+Cl"	34.969402
"666527"	1436.913802	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+Cl"	34.969402
"1285493"	502.284202	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Cl"	34.969402
"28048"	971.578206	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M-2H+K"	36.948606
"467606"	1438.893006	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M-2H+K"	36.948606
"841035"	504.263406	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-2H+K"	36.948606
"1560152"	504.263406	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+K-2H"	36.948606
"950225"	512.312994	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-H+HCOOH"	44.998194
"367348"	979.627801	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+HCOOH-H"	44.998201
"355605"	993.643451	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+Hac-H"	59.013851
"1507360"	526.328651	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Hac-H"	59.013851
"973077"	534.294951	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-H+NaCOOH"	66.980151
"121621"	502.284202	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+2Cl"	69.938804
"561546"	735.941602	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+2Cl"	69.938804
"1033624"	268.626802	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2Cl"	69.938804
"1254295"	546.233685	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Br"	78.918885
"1317837"	548.289672	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Cl+HCOOH"	80.974872
"1330965"	570.271629	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Cl+NaCOOH"	102.956829
"923116"	580.300386	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M-H+CF3COOH"	112.985586
"1303107"	616.277064	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Cl+CF3COOH"	148.962264
"1379810"	432.302124	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H-2H2O"	-35.012676
"1397310"	450.3121	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H-H2O"	-17.0027
"296993"	935.636876	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+H"	1.007276
"688330"	1402.951676	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+H"	1.007276
"1363950"	468.322076	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H"	1.007276
"138663"	468.322076	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+2H"	2.014552
"578586"	701.979476	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+2H"	2.014552
"1051751"	234.664676	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2H"	2.014552
"213091"	312.550476	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+3H"	3.021828
"651192"	468.322076	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+3H"	3.021828
"1169686"	156.778876	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+3H"	3.021828
"435146"	952.663423	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+NH4"	18.033823
"797235"	1419.978223	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+NH4"	18.033823
"1689191"	485.348623	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+NH4"	18.033823
"336378"	476.8353495	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+H+NH4"	19.041099
"732821"	710.4927495	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+H+NH4"	19.041099
"1490651"	243.1779495	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H+NH4"	19.041099
"403864"	957.618818	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+Na"	22.989218
"768263"	1424.933618	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+Na"	22.989218
"1616606"	490.304018	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Na"	22.989218
"328463"	479.313047	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+H+Na"	23.996494
"720152"	712.970447	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+H+Na"	23.996494
"1469961"	245.655647	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H+Na"	23.996494
"1062852"	164.10619	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2H+Na"	25.00377
"1267083"	500.348286	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+CH3OH+H"	33.033486
"389661"	973.592758	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+K"	38.963158
"745558"	1440.907558	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+K"	38.963158
"1549794"	506.277958	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+K"	38.963158
"307337"	487.300017	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+H+K"	39.970434
"703398"	720.957417	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+H+K"	39.970434
"1456489"	253.642617	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H+K"	39.970434
"248736"	976.663426	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+ACN+H"	42.033826
"1219986"	509.348626	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+ACN+H"	42.033826
"1206061"	255.177951	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+ACN+2H"	43.041102
"199660"	979.60076	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+2Na-H"	44.97116
"639585"	1446.91556	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+2Na-H"	44.97116
"1144066"	512.28596	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2Na-H"	44.97116
"185652"	490.304018	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+2Na"	45.978436
"621569"	723.961418	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+2Na"	45.978436
"1125072"	256.646618	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2Na"	45.978436
"1403133"	171.433504	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H+2Na"	46.985712
"1437436"	514.327546	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H+HCOOH"	47.012746
"223485"	495.33704	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+3H2O+2H"	56.04448
"1512639"	528.37959	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+IsoProp+H"	61.06479
"414875"	498.290988	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+Na+K"	61.952376
"773685"	731.948388	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+Na+K"	61.952376
"1667096"	264.633588	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Na+K"	61.952376
"252034"	998.645368	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+ACN+Na"	64.015768
"1227419"	531.330568	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+ACN+Na"	64.015768
"1712901"	531.354093	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+NH4+HCOOH"	64.039293
"1182391"	178.760818	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+3Na"	68.967654
"1653742"	536.309488	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Na+HCOOH"	68.994688
"157193"	1011.54864	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+2K-H"	76.91904
"607459"	1478.86344	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+2K-H"	76.91904
"1095983"	544.23384	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2K-H"	76.91904
"150979"	506.277958	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"2M+2K"	77.926316
"594549"	739.935358	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"3M+2K"	77.926316
"1079426"	272.620558	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2K"	77.926316
"1113489"	546.248392	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2K+H"	78.933592
"1350481"	546.336007	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+DMSO+H"	79.021207
"1018647"	550.375176	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2ACN+H"	83.060376
"1532399"	551.368808	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+IsoProp+Na+H"	84.054008
"1002128"	275.691226	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+2ACN+2H"	84.067652
"1599911"	552.283428	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+K+HCOOH"	84.968628
"1427757"	582.314938	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+H+CF3COOH"	115.000138
"1161690"	296.204501	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+3ACN+2H"	125.094202
"1709781"	599.341485	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+NH4+CF3COOH"	132.026685
"1648349"	604.29688	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+Na+CF3COOH"	136.98208
"1575616"	620.27082	"C12552"	"Oxethazaine;Oxetacaine"	"C28H41N3O3"	"467.3148"	"M+K+CF3COOH"	152.95602
"807074"	97.977	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M"	0
"975138"	78.95861	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-H2O-H"	-19.01839
"68850"	64.310724	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M-3H"	-3.021828
"503185"	96.969724	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M-3H"	-3.021828
"880254"	31.651724	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-3H"	-3.021828
"1503"	96.969724	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M-2H"	-2.014552
"442165"	145.958224	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M-2H"	-2.014552
"831275"	47.981224	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-2H"	-2.014552
"89805"	194.946724	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M-H"	-1.007276
"528271"	292.923724	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M-H"	-1.007276
"901697"	96.969724	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-H"	-1.007276
"48657"	211.973271	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M-2H+NH4"	16.019271
"487360"	309.950271	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M-2H+NH4"	16.019271
"875626"	113.996271	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-2H+NH4"	16.019271
"46811"	216.928666	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M-2H+Na"	20.974666
"478711"	314.905666	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M-2H+Na"	20.974666
"860893"	118.951666	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-2H+Na"	20.974666
"1630068"	118.951666	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Na-2H"	20.974666
"103678"	114.958063	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M-H+Cl"	33.962126
"541050"	163.946563	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M-H+Cl"	33.962126
"934566"	65.969563	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-H+Cl"	33.962126
"271297"	230.923402	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+Cl"	34.969402
"667731"	328.900402	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+Cl"	34.969402
"1285603"	132.946402	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Cl"	34.969402
"28158"	232.902606	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M-2H+K"	36.948606
"465530"	330.879606	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M-2H+K"	36.948606
"841145"	134.925606	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-2H+K"	36.948606
"1559169"	134.925606	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+K-2H"	36.948606
"951428"	142.975194	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-H+HCOOH"	44.998194
"366365"	240.952201	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+HCOOH-H"	44.998201
"354622"	254.967851	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+Hac-H"	59.013851
"1506741"	156.990851	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Hac-H"	59.013851
"970635"	164.957151	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-H+NaCOOH"	66.980151
"119908"	132.946402	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+2Cl"	69.938804
"564940"	181.934902	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+2Cl"	69.938804
"1033735"	83.957902	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2Cl"	69.938804
"1254406"	176.895885	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Br"	78.918885
"1315762"	178.951872	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Cl+HCOOH"	80.974872
"1332168"	200.933829	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Cl+NaCOOH"	102.956829
"924319"	210.962586	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M-H+CF3COOH"	112.985586
"1303460"	246.939264	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Cl+CF3COOH"	148.962264
"1379190"	62.964324	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H-2H2O"	-35.012676
"1397782"	80.9743	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H-H2O"	-17.0027
"294187"	196.961276	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+H"	1.007276
"689898"	294.938276	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+H"	1.007276
"1365882"	98.984276	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H"	1.007276
"138406"	98.984276	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+2H"	2.014552
"580153"	147.972776	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+2H"	2.014552
"1050405"	49.995776	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2H"	2.014552
"213201"	66.325276	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+3H"	3.021828
"652760"	98.984276	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+3H"	3.021828
"1170889"	33.666276	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+3H"	3.021828
"435256"	213.987823	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+NH4"	18.033823
"796252"	311.964823	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+NH4"	18.033823
"1691487"	116.010823	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+NH4"	18.033823
"337581"	107.4975495	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+H+NH4"	19.041099
"735483"	156.4860495	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+H+NH4"	19.041099
"1491251"	58.5090495	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H+NH4"	19.041099
"406890"	218.943218	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+Na"	22.989218
"768377"	316.920218	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+Na"	22.989218
"1617809"	120.966218	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Na"	22.989218
"328815"	109.975247	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+H+Na"	23.996494
"720262"	158.963747	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+H+Na"	23.996494
"1471163"	60.986747	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H+Na"	23.996494
"1065148"	40.99359	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2H+Na"	25.00377
"1269016"	131.010486	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+CH3OH+H"	33.033486
"391229"	234.917158	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+K"	38.963158
"747854"	332.894158	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+K"	38.963158
"1551728"	136.940158	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+K"	38.963158
"308905"	117.962217	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+H+K"	39.970434
"704966"	166.950717	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+H+K"	39.970434
"1456965"	68.973717	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H+K"	39.970434
"248846"	237.987826	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+ACN+H"	42.033826
"1220095"	140.010826	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+ACN+H"	42.033826
"1207264"	70.509051	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+ACN+2H"	43.041102
"201226"	240.92516	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+2Na-H"	44.97116
"640787"	338.90216	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+2Na-H"	44.97116
"1143203"	142.94816	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2Na-H"	44.97116
"184669"	120.966218	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+2Na"	45.978436
"621314"	169.954718	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+2Na"	45.978436
"1124089"	71.977718	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2Na"	45.978436
"1403243"	48.320904	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H+2Na"	46.985712
"1437546"	144.989746	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H+HCOOH"	47.012746
"222867"	125.99924	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+3H2O+2H"	56.04448
"1512749"	159.04179	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+IsoProp+H"	61.06479
"413527"	128.953188	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+Na+K"	61.952376
"773795"	177.941688	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+Na+K"	61.952376
"1666842"	79.964688	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Na+K"	61.952376
"252268"	259.969768	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+ACN+Na"	64.015768
"1226434"	161.992768	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+ACN+Na"	64.015768
"1712801"	162.016293	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+NH4+HCOOH"	64.039293
"1185417"	55.648218	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+3Na"	68.967654
"1652758"	166.971688	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Na+HCOOH"	68.994688
"157425"	272.87304	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+2K-H"	76.91904
"605383"	370.85004	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+2K-H"	76.91904
"1093177"	174.89604	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2K-H"	76.91904
"152184"	136.940158	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"2M+2K"	77.926316
"590649"	185.928658	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"3M+2K"	77.926316
"1077350"	87.951658	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2K"	77.926316
"1111652"	176.910592	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2K+H"	78.933592
"1348038"	176.998207	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+DMSO+H"	79.021207
"1018757"	181.037376	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2ACN+H"	83.060376
"1537854"	182.031008	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+IsoProp+Na+H"	84.054008
"1002238"	91.022326	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+2ACN+2H"	84.067652
"1597834"	182.945628	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+K+HCOOH"	84.968628
"1426775"	212.977138	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+H+CF3COOH"	115.000138
"1159979"	111.535601	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+3ACN+2H"	125.094202
"1711352"	230.003685	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+NH4+CF3COOH"	132.026685
"1648461"	234.95908	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+Na+CF3COOH"	136.98208
"1575726"	250.93302	"C12554"	"Potassium acetate"	"C2H3O2K"	"97.977"	"M+K+CF3COOH"	152.95602
"806091"	570.0889	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M"	0
"974881"	551.07051	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-H2O-H"	-19.01839
"68960"	379.051990666667	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M-3H"	-3.021828
"503535"	569.081624	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M-3H"	-3.021828
"880848"	189.022357333333	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-3H"	-3.021828
"1854"	569.081624	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M-2H"	-2.014552
"441910"	854.126074	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M-2H"	-2.014552
"831507"	284.037174	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-2H"	-2.014552
"88821"	1139.170524	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M-H"	-1.007276
"526194"	1709.259424	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M-H"	-1.007276
"898891"	569.081624	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-H"	-1.007276
"48888"	1156.197071	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M-2H+NH4"	16.019271
"487592"	1726.285971	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M-2H+NH4"	16.019271
"864459"	586.108171	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-2H+NH4"	16.019271
"35978"	1161.152466	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M-2H+Na"	20.974666
"479914"	1731.241366	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M-2H+Na"	20.974666
"863312"	591.063566	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-2H+Na"	20.974666
"1632364"	591.063566	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Na-2H"	20.974666
"105975"	587.069963	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M-H+Cl"	33.962126
"544441"	872.114413	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M-H+Cl"	33.962126
"935769"	302.025513	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-H+Cl"	33.962126
"271407"	1175.147202	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+Cl"	34.969402
"666748"	1745.236102	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+Cl"	34.969402
"1287172"	605.058302	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Cl"	34.969402
"26081"	1177.126406	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M-2H+K"	36.948606
"463453"	1747.215306	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M-2H+K"	36.948606
"840162"	607.037506	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-2H+K"	36.948606
"1559279"	607.037506	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+K-2H"	36.948606
"951538"	615.087094	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-H+HCOOH"	44.998194
"369755"	1185.176001	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+HCOOH-H"	44.998201
"355825"	1199.191651	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+Hac-H"	59.013851
"1508384"	629.102751	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Hac-H"	59.013851
"973951"	637.069051	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-H+NaCOOH"	66.980151
"122934"	605.058302	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+2Cl"	69.938804
"565253"	890.102752	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+2Cl"	69.938804
"1029471"	320.013852	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2Cl"	69.938804
"1255488"	649.007785	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Br"	78.918885
"1319518"	651.063772	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Cl+HCOOH"	80.974872
"1334102"	673.045729	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Cl+NaCOOH"	102.956829
"924429"	683.074486	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M-H+CF3COOH"	112.985586
"1303326"	719.051164	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Cl+CF3COOH"	148.962264
"1382686"	535.076224	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H-2H2O"	-35.012676
"1398344"	553.0862	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H-H2O"	-17.0027
"298522"	1141.185076	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+H"	1.007276
"691060"	1711.273976	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+H"	1.007276
"1366720"	571.096176	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H"	1.007276
"140343"	571.096176	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+2H"	2.014552
"578807"	856.140626	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+2H"	2.014552
"1050879"	286.051726	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2H"	2.014552
"213311"	381.066542666667	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+3H"	3.021828
"651778"	571.096176	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+3H"	3.021828
"1172092"	191.036909333333	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+3H"	3.021828
"435362"	1158.211623	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+NH4"	18.033823
"797455"	1728.300523	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+NH4"	18.033823
"1691597"	588.122723	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+NH4"	18.033823
"337691"	579.6094495	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+H+NH4"	19.041099
"731203"	864.6538995	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+H+NH4"	19.041099
"1489411"	294.5649995	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H+NH4"	19.041099
"405903"	1163.167018	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+Na"	22.989218
"767994"	1733.255918	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+Na"	22.989218
"1613904"	593.078118	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Na"	22.989218
"326856"	582.087147	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+H+Na"	23.996494
"721589"	867.131597	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+H+Na"	23.996494
"1472002"	297.042697	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H+Na"	23.996494
"1068442"	198.364223333333	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2H+Na"	25.00377
"1272240"	603.122386	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+CH3OH+H"	33.033486
"392680"	1179.140958	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+K"	38.963158
"753428"	1749.229858	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+K"	38.963158
"1553291"	609.052058	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+K"	38.963158
"313019"	590.074117	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+H+K"	39.970434
"705440"	875.118567	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+H+K"	39.970434
"1457803"	305.029667	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H+K"	39.970434
"246403"	1182.211626	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+ACN+H"	42.033826
"1220204"	612.122726	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+ACN+H"	42.033826
"1209321"	306.565001	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+ACN+2H"	43.041102
"203038"	1185.14896	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+2Na-H"	44.97116
"639803"	1755.23786	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+2Na-H"	44.97116
"1146107"	615.06006	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2Na-H"	44.97116
"184412"	593.078118	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+2Na"	45.978436
"625067"	878.122568	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+2Na"	45.978436
"1126385"	308.033668	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2Na"	45.978436
"1404446"	205.691537333333	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H+2Na"	46.985712
"1440936"	617.101646	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H+HCOOH"	47.012746
"225163"	598.11114	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+3H2O+2H"	56.04448
"1513224"	631.15369	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+IsoProp+H"	61.06479
"416189"	601.065088	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+Na+K"	61.952376
"776093"	886.109538	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+Na+K"	61.952376
"1670963"	316.020638	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Na+K"	61.952376
"254201"	1204.193568	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+ACN+Na"	64.015768
"1226421"	634.104668	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+ACN+Na"	64.015768
"1713362"	634.128193	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+NH4+HCOOH"	64.039293
"1184799"	213.018851333333	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+3Na"	68.967654
"1651775"	639.083588	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Na+HCOOH"	68.994688
"157896"	1217.09684	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+2K-H"	76.91904
"607679"	1787.18574	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+2K-H"	76.91904
"1094380"	647.00794	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2K-H"	76.91904
"152293"	609.052058	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"2M+2K"	77.926316
"591852"	894.096508	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"3M+2K"	77.926316
"1079646"	324.007608	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2K"	77.926316
"1109575"	649.022492	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2K+H"	78.933592
"1350216"	649.110107	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+DMSO+H"	79.021207
"1019840"	653.149276	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2ACN+H"	83.060376
"1539427"	654.142908	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+IsoProp+Na+H"	84.054008
"1005145"	327.078276	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+2ACN+2H"	84.067652
"1601226"	655.057528	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+K+HCOOH"	84.968628
"1426884"	685.089038	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+H+CF3COOH"	115.000138
"1162276"	347.591551	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+3ACN+2H"	125.094202
"1712067"	702.115585	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+NH4+CF3COOH"	132.026685
"1649300"	707.07098	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+Na+CF3COOH"	136.98208
"1575836"	723.04492	"C12557"	"Cefepime hydrochloride;Cefepime dihydrochloride"	"C19H25N6O5S2HClClH2O"	"570.0889"	"M+K+CF3COOH"	152.95602
"806201"	766.3724	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M"	0
"976086"	747.35401	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-H2O-H"	-19.01839
"69070"	509.907657333333	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M-3H"	-3.021828
"503890"	765.365124	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M-3H"	-3.021828
"881688"	254.450190666667	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-3H"	-3.021828
"2085"	765.365124	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M-2H"	-2.014552
"442749"	1148.551324	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M-2H"	-2.014552
"830035"	382.178924	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-2H"	-2.014552
"88931"	1531.737524	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M-H"	-1.007276
"526304"	2298.109924	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M-H"	-1.007276
"898635"	765.365124	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-H"	-1.007276
"49120"	1548.764071	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M-2H+NH4"	16.019271
"487221"	2315.136471	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M-2H+NH4"	16.019271
"864522"	782.391671	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-2H+NH4"	16.019271
"34995"	1553.719466	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M-2H+Na"	20.974666
"480024"	2320.091866	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M-2H+Na"	20.974666
"860019"	787.347066	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-2H+Na"	20.974666
"1632837"	787.347066	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Na-2H"	20.974666
"102804"	783.353463	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M-H+Cl"	33.962126
"542364"	1166.539663	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M-H+Cl"	33.962126
"935879"	400.167263	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-H+Cl"	33.962126
"270788"	1567.714202	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+Cl"	34.969402
"667951"	2334.086602	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+Cl"	34.969402
"1287768"	801.341802	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Cl"	34.969402
"29471"	1569.693406	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M-2H+K"	36.948606
"466844"	2336.065806	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M-2H+K"	36.948606
"842459"	803.321006	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-2H+K"	36.948606
"1561576"	803.321006	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+K-2H"	36.948606
"948367"	811.370594	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-H+HCOOH"	44.998194
"373144"	1577.743001	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+HCOOH-H"	44.998201
"357757"	1591.758651	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+Hac-H"	59.013851
"1506838"	825.386251	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Hac-H"	59.013851
"972311"	833.352551	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-H+NaCOOH"	66.980151
"124990"	801.341802	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+2Cl"	69.938804
"565525"	1184.528002	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+2Cl"	69.938804
"1036712"	418.155602	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2Cl"	69.938804
"1255719"	845.291285	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Br"	78.918885
"1317074"	847.347272	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Cl+HCOOH"	80.974872
"1335072"	869.329229	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Cl+NaCOOH"	102.956829
"924905"	879.357986	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M-H+CF3COOH"	112.985586
"1303436"	915.334664	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Cl+CF3COOH"	148.962264
"1381846"	731.359724	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H-2H2O"	-35.012676
"1398324"	749.3697	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H-H2O"	-17.0027
"298260"	1533.752076	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+H"	1.007276
"689386"	2300.124476	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+H"	1.007276
"1365735"	767.379676	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H"	1.007276
"139350"	767.379676	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+2H"	2.014552
"576720"	1150.565876	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+2H"	2.014552
"1048799"	384.193476	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2H"	2.014552
"212327"	511.922209333333	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+3H"	3.021828
"651888"	767.379676	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+3H"	3.021828
"1171107"	256.464742666667	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+3H"	3.021828
"432192"	1550.778623	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+NH4"	18.033823
"797565"	2317.151023	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+NH4"	18.033823
"1690614"	784.406223	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+NH4"	18.033823
"339988"	775.8929495	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+H+NH4"	19.041099
"730220"	1159.0791495	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+H+NH4"	19.041099
"1489518"	392.7067495	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H+NH4"	19.041099
"407105"	1555.734018	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+Na"	22.989218
"767009"	2322.106418	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+Na"	22.989218
"1614013"	789.361618	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Na"	22.989218
"328424"	778.370647	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+H+Na"	23.996494
"720846"	1161.556847	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+H+Na"	23.996494
"1475759"	395.184447	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H+Na"	23.996494
"1068433"	263.792056666667	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2H+Na"	25.00377
"1272696"	799.405886	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+CH3OH+H"	33.033486
"392302"	1571.707958	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+K"	38.963158
"753295"	2338.080358	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+K"	38.963158
"1552306"	805.335558	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+K"	38.963158
"312765"	786.357617	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+H+K"	39.970434
"701902"	1169.543817	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+H+K"	39.970434
"1458641"	403.171417	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H+K"	39.970434
"246513"	1574.778626	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+ACN+H"	42.033826
"1215211"	808.406226	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+ACN+H"	42.033826
"1209756"	404.706751	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+ACN+2H"	43.041102
"203026"	1577.71596	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+2Na-H"	44.97116
"641007"	2344.08836	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+2Na-H"	44.97116
"1146828"	811.34356	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2Na-H"	44.97116
"183429"	789.361618	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+2Na"	45.978436
"626271"	1172.547818	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+2Na"	45.978436
"1125402"	406.175418	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2Na"	45.978436
"1406743"	271.119370666667	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H+2Na"	46.985712
"1435579"	813.385146	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H+HCOOH"	47.012746
"226366"	794.39464	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+3H2O+2H"	56.04448
"1517708"	827.43719	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+IsoProp+H"	61.06479
"415206"	797.348588	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+Na+K"	61.952376
"775474"	1180.534788	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+Na+K"	61.952376
"1671437"	414.162388	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Na+K"	61.952376
"255404"	1596.760568	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+ACN+Na"	64.015768
"1226655"	830.388168	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+ACN+Na"	64.015768
"1713356"	830.411693	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+NH4+HCOOH"	64.039293
"1183816"	278.446684666667	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+3Na"	68.967654
"1652614"	835.367088	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Na+HCOOH"	68.994688
"159345"	1609.66384	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+2K-H"	76.91904
"609976"	2376.03624	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+2K-H"	76.91904
"1094491"	843.29144	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2K-H"	76.91904
"151308"	805.335558	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"2M+2K"	77.926316
"591962"	1188.521758	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"3M+2K"	77.926316
"1079756"	422.149358	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2K"	77.926316
"1111872"	845.305992	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2K+H"	78.933592
"1341697"	845.393607	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+DMSO+H"	79.021207
"1020805"	849.432776	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2ACN+H"	83.060376
"1536007"	850.426408	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+IsoProp+Na+H"	84.054008
"1005585"	425.220026	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+2ACN+2H"	84.067652
"1602554"	851.341028	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+K+HCOOH"	84.968628
"1428088"	881.372538	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+H+CF3COOH"	115.000138
"1160564"	445.733301	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+3ACN+2H"	125.094202
"1712259"	898.399085	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+NH4+CF3COOH"	132.026685
"1649289"	903.35448	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+Na+CF3COOH"	136.98208
"1575946"	919.32842	"C12560"	"Saquinavir mesylate;Saquinavir mesilate"	"C38H50N6O5CH4SO3"	"766.3724"	"M+K+CF3COOH"	152.95602
"806311"	447.148	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M"	0
"975468"	428.12961	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-H2O-H"	-19.01839
"64806"	297.091390666667	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M-3H"	-3.021828
"502958"	446.140724	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M-3H"	-3.021828
"880219"	148.042057333333	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-3H"	-3.021828
"497"	446.140724	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M-2H"	-2.014552
"442495"	669.714724	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M-2H"	-2.014552
"830145"	222.566724	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-2H"	-2.014552
"87948"	893.288724	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M-H"	-1.007276
"526414"	1340.436724	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M-H"	-1.007276
"896560"	446.140724	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-H"	-1.007276
"48746"	910.315271	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M-2H+NH4"	16.019271
"487201"	1357.463271	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M-2H+NH4"	16.019271
"864343"	463.167271	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-2H+NH4"	16.019271
"31504"	915.270666	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M-2H+Na"	20.974666
"480134"	1362.418666	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M-2H+Na"	20.974666
"852474"	468.122666	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-2H+Na"	20.974666
"1632947"	468.122666	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Na-2H"	20.974666
"101821"	464.129063	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M-H+Cl"	33.962126
"543568"	687.703063	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M-H+Cl"	33.962126
"935989"	240.555063	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-H+Cl"	33.962126
"270170"	929.265402	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+Cl"	34.969402
"666968"	1376.413402	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+Cl"	34.969402
"1287757"	482.117402	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Cl"	34.969402
"26301"	931.244606	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M-2H+K"	36.948606
"465860"	1378.392606	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M-2H+K"	36.948606
"836009"	484.096606	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-2H+K"	36.948606
"1563873"	484.096606	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+K-2H"	36.948606
"948477"	492.146194	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-H+HCOOH"	44.998194
"373983"	939.294201	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+HCOOH-H"	44.998201
"359325"	953.309851	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+Hac-H"	59.013851
"1505977"	506.161851	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Hac-H"	59.013851
"968777"	514.128151	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-H+NaCOOH"	66.980151
"125473"	482.117402	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+2Cl"	69.938804
"565479"	705.691402	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+2Cl"	69.938804
"1036618"	258.543402	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2Cl"	69.938804
"1250362"	526.066885	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Br"	78.918885
"1314997"	528.122872	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Cl+HCOOH"	80.974872
"1335538"	550.104829	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Cl+NaCOOH"	102.956829
"925380"	560.133586	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M-H+CF3COOH"	112.985586
"1303182"	596.110264	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Cl+CF3COOH"	148.962264
"1382077"	412.135324	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H-2H2O"	-35.012676
"1398248"	430.1453	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H-H2O"	-17.0027
"296709"	895.303276	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+H"	1.007276
"690225"	1342.451276	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+H"	1.007276
"1365846"	448.155276	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H"	1.007276
"138365"	448.155276	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+2H"	2.014552
"576830"	671.729276	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+2H"	2.014552
"1043441"	224.581276	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2H"	2.014552
"212437"	299.105942666667	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+3H"	3.021828
"653091"	448.155276	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+3H"	3.021828
"1171217"	150.056609333333	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+3H"	3.021828
"431209"	912.329823	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+NH4"	18.033823
"796582"	1359.477823	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+NH4"	18.033823
"1690724"	465.181823	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+NH4"	18.033823
"334628"	456.6685495	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+H+NH4"	19.041099
"727050"	680.2425495	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+H+NH4"	19.041099
"1489263"	233.0945495	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H+NH4"	19.041099
"406124"	917.285218	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+Na"	22.989218
"766026"	1364.433218	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+Na"	22.989218
"1613030"	470.137218	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Na"	22.989218
"325254"	459.146247	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+H+Na"	23.996494
"717676"	682.720247	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+H+Na"	23.996494
"1475869"	235.572247	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H+Na"	23.996494
"1067660"	157.383923333333	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2H+Na"	25.00377
"1271890"	480.181486	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+CH3OH+H"	33.033486
"390465"	933.259158	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+K"	38.963158
"750366"	1380.407158	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+K"	38.963158
"1553145"	486.111158	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+K"	38.963158
"312145"	467.133217	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+H+K"	39.970434
"698732"	690.707217	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+H+K"	39.970434
"1459843"	243.559217	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H+K"	39.970434
"243341"	936.329826	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+ACN+H"	42.033826
"1216413"	489.181826	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+ACN+H"	42.033826
"1208446"	245.094551	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+ACN+2H"	43.041102
"202649"	939.26716	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+2Na-H"	44.97116
"642210"	1386.41516	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+2Na-H"	44.97116
"1145476"	492.11916	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2Na-H"	44.97116
"181352"	470.137218	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+2Na"	45.978436
"626382"	693.711218	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+2Na"	45.978436
"1123325"	246.563218	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2Na"	45.978436
"1406852"	164.711237333333	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H+2Na"	46.985712
"1432408"	494.160746	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H+HCOOH"	47.012746
"222100"	475.17024	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+3H2O+2H"	56.04448
"1513443"	508.21279	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+IsoProp+H"	61.06479
"410940"	478.124188	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+Na+K"	61.952376
"774852"	701.698188	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+Na+K"	61.952376
"1668995"	254.550188	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Na+K"	61.952376
"254057"	958.311768	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+ACN+Na"	64.015768
"1225954"	511.163768	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+ACN+Na"	64.015768
"1713102"	511.187293	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+NH4+HCOOH"	64.039293
"1182831"	172.038551333333	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+3Na"	68.967654
"1651873"	516.142688	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Na+HCOOH"	68.994688
"157633"	971.21504	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+2K-H"	76.91904
"607900"	1418.36304	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+2K-H"	76.91904
"1095694"	524.06704	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2K-H"	76.91904
"151418"	486.111158	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"2M+2K"	77.926316
"595352"	709.685158	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"3M+2K"	77.926316
"1080960"	262.537158	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2K"	77.926316
"1113075"	526.081592	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2K+H"	78.933592
"1345087"	526.169207	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+DMSO+H"	79.021207
"1018965"	530.208376	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2ACN+H"	83.060376
"1538062"	531.202008	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+IsoProp+Na+H"	84.054008
"1005489"	265.607826	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+2ACN+2H"	84.067652
"1602175"	532.116628	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+K+HCOOH"	84.968628
"1428198"	562.148138	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+H+CF3COOH"	115.000138
"1162755"	286.121101	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+3ACN+2H"	125.094202
"1712288"	579.174685	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+NH4+CF3COOH"	132.026685
"1646965"	584.13008	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+Na+CF3COOH"	136.98208
"1576056"	600.10402	"C12564"	"Aripiprazole"	"C23H27Cl2N3O2"	"447.148"	"M+K+CF3COOH"	152.95602
"806421"	39.98	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M"	0
"975942"	20.96161	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-H2O-H"	-19.01839
"66373"	25.6460573333333	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M-3H"	-3.021828
"504109"	38.972724	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M-3H"	-3.021828
"881058"	12.3193906666667	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-3H"	-3.021828
"1941"	38.972724	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M-2H"	-2.014552
"443697"	58.962724	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M-2H"	-2.014552
"830134"	18.982724	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-2H"	-2.014552
"91338"	78.952724	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M-H"	-1.007276
"523608"	118.932724	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M-H"	-1.007276
"898856"	38.972724	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-H"	-1.007276
"48611"	95.979271	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M-2H+NH4"	16.019271
"487349"	135.959271	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M-2H+NH4"	16.019271
"864983"	55.999271	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-2H+NH4"	16.019271
"32156"	100.934666	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M-2H+Na"	20.974666
"476963"	140.914666	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M-2H+Na"	20.974666
"852211"	60.954666	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-2H+Na"	20.974666
"1632694"	60.954666	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Na-2H"	20.974666
"105211"	56.961063	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M-H+Cl"	33.962126
"544772"	76.951063	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M-H+Cl"	33.962126
"935004"	36.971063	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-H+Cl"	33.962126
"273559"	114.929402	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+Cl"	34.969402
"669264"	154.909402	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+Cl"	34.969402
"1287503"	74.949402	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Cl"	34.969402
"29570"	116.908606	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M-2H+K"	36.948606
"464876"	156.888606	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M-2H+K"	36.948606
"839399"	76.928606	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-2H+K"	36.948606
"1563983"	76.928606	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+K-2H"	36.948606
"950774"	84.978194	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-H+HCOOH"	44.998194
"372271"	124.958201	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+HCOOH-H"	44.998201
"358342"	138.973851	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+Hac-H"	59.013851
"1506695"	98.993851	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Hac-H"	59.013851
"971075"	106.960151	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-H+NaCOOH"	66.980151
"125211"	74.949402	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+2Cl"	69.938804
"563555"	94.939402	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+2Cl"	69.938804
"1033810"	54.959402	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2Cl"	69.938804
"1250472"	118.898885	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Br"	78.918885
"1311826"	120.954872	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Cl+HCOOH"	80.974872
"1335413"	142.936829	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Cl+NaCOOH"	102.956829
"924759"	152.965586	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M-H+CF3COOH"	112.985586
"1303292"	188.942264	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Cl+CF3COOH"	148.962264
"1376347"	4.967324	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H-2H2O"	-35.012676
"1398193"	22.9773	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H-H2O"	-17.0027
"297548"	80.967276	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+H"	1.007276
"690335"	120.947276	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+H"	1.007276
"1365956"	40.987276	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H"	1.007276
"138111"	40.987276	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+2H"	2.014552
"573660"	60.977276	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+2H"	2.014552
"1042458"	20.997276	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2H"	2.014552
"211454"	27.6606093333333	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+3H"	3.021828
"652108"	40.987276	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+3H"	3.021828
"1170234"	14.3339426666667	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+3H"	3.021828
"431318"	97.993823	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+NH4"	18.033823
"794505"	137.973823	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+NH4"	18.033823
"1690834"	58.013823	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+NH4"	18.033823
"334738"	49.5005495	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+H+NH4"	19.041099
"726067"	69.4905495	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+H+NH4"	19.041099
"1489738"	29.5105495	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H+NH4"	19.041099
"407206"	102.949218	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+Na"	22.989218
"766136"	142.929218	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+Na"	22.989218
"1613140"	62.969218	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Na"	22.989218
"323177"	51.978247	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+H+Na"	23.996494
"717785"	71.968247	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+H+Na"	23.996494
"1470510"	31.988247	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H+Na"	23.996494
"1066799"	21.6612566666667	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2H+Na"	25.00377
"1270906"	73.013486	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+CH3OH+H"	33.033486
"391547"	118.923158	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+K"	38.963158
"750477"	158.903158	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+K"	38.963158
"1551433"	78.943158	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+K"	38.963158
"309704"	59.965217	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+H+K"	39.970434
"701030"	79.955217	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+H+K"	39.970434
"1457403"	39.975217	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H+K"	39.970434
"245638"	121.993826	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+ACN+H"	42.033826
"1217617"	82.013826	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+ACN+H"	42.033826
"1207341"	41.510551	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+ACN+2H"	43.041102
"200573"	124.93116	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+2Na-H"	44.97116
"640133"	164.91116	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+2Na-H"	44.97116
"1144373"	84.95116	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2Na-H"	44.97116
"179276"	62.969218	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+2Na"	45.978436
"623211"	82.959218	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+2Na"	45.978436
"1123435"	42.979218	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2Na"	45.978436
"1403685"	28.9885706666667	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H+2Na"	46.985712
"1435800"	86.992746	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H+HCOOH"	47.012746
"225492"	68.00224	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+3H2O+2H"	56.04448
"1513554"	101.04479	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+IsoProp+H"	61.06479
"409957"	70.956188	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+Na+K"	61.952376
"771315"	90.946188	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+Na+K"	61.952376
"1666188"	50.966188	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Na+K"	61.952376
"252707"	143.975768	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+ACN+Na"	64.015768
"1230883"	103.995768	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+ACN+Na"	64.015768
"1713448"	104.019293	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+NH4+HCOOH"	64.039293
"1179774"	36.3158846666667	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+3Na"	68.967654
"1651733"	108.974688	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Na+HCOOH"	68.994688
"157376"	156.87904	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+2K-H"	76.91904
"604731"	196.85904	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+2K-H"	76.91904
"1093618"	116.89904	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2K-H"	76.91904
"153715"	78.943158	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"2M+2K"	77.926316
"596680"	98.933158	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"3M+2K"	77.926316
"1084140"	58.953158	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2K"	77.926316
"1115601"	118.913592	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2K+H"	78.933592
"1350301"	119.001207	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+DMSO+H"	79.021207
"1019075"	123.040376	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2ACN+H"	83.060376
"1539758"	124.034008	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+IsoProp+Na+H"	84.054008
"1005115"	62.023826	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+2ACN+2H"	84.067652
"1602285"	124.948628	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+K+HCOOH"	84.968628
"1429760"	154.980138	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+H+CF3COOH"	115.000138
"1160785"	82.537101	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+3ACN+2H"	125.094202
"1711427"	172.006685	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+NH4+CF3COOH"	132.026685
"1648169"	176.96208	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+Na+CF3COOH"	136.98208
"1576166"	192.93602	"C12567"	"Magnesium oxide"	"MgO"	"39.98"	"M+K+CF3COOH"	152.95602
"807624"	55.9664	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M"	0
"975809"	36.94801	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-H2O-H"	-19.01839
"65026"	36.3036573333333	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M-3H"	-3.021828
"504218"	54.959124	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M-3H"	-3.021828
"882384"	17.6481906666667	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-3H"	-3.021828
"4239"	54.959124	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M-2H"	-2.014552
"441256"	82.942324	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M-2H"	-2.014552
"830365"	26.975924	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-2H"	-2.014552
"89261"	110.925524	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M-H"	-1.007276
"523354"	166.891924	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M-H"	-1.007276
"897992"	54.959124	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-H"	-1.007276
"49328"	127.952071	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M-2H+NH4"	16.019271
"488641"	183.918471	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M-2H+NH4"	16.019271
"864738"	71.985671	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-2H+NH4"	16.019271
"31518"	132.907466	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M-2H+Na"	20.974666
"471957"	188.873866	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M-2H+Na"	20.974666
"853414"	76.941066	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-2H+Na"	20.974666
"1632804"	76.941066	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Na-2H"	20.974666
"105321"	72.947463	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M-H+Cl"	33.962126
"543788"	100.930663	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M-H+Cl"	33.962126
"935115"	44.964263	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-H+Cl"	33.962126
"273670"	146.902202	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+Cl"	34.969402
"668281"	202.868602	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+Cl"	34.969402
"1287007"	90.935802	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Cl"	34.969402
"28708"	148.881406	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M-2H+K"	36.948606
"463893"	204.847806	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M-2H+K"	36.948606
"840602"	92.915006	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-2H+K"	36.948606
"1570169"	92.915006	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+K-2H"	36.948606
"951978"	100.964594	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-H+HCOOH"	44.998194
"370194"	156.931001	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+HCOOH-H"	44.998201
"358088"	170.946651	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+Hac-H"	59.013851
"1506559"	114.980251	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Hac-H"	59.013851
"971185"	122.946551	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-H+NaCOOH"	66.980151
"125563"	90.935802	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+2Cl"	69.938804
"563665"	118.919002	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+2Cl"	69.938804
"1032827"	62.952602	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2Cl"	69.938804
"1250582"	134.885285	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Br"	78.918885
"1313029"	136.941272	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Cl+HCOOH"	80.974872
"1335037"	158.923229	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Cl+NaCOOH"	102.956829
"923413"	168.951986	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M-H+CF3COOH"	112.985586
"1303038"	204.928664	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Cl+CF3COOH"	148.962264
"1377550"	20.953724	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H-2H2O"	-35.012676
"1397857"	38.9637	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H-H2O"	-17.0027
"297537"	112.940076	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+H"	1.007276
"690201"	168.906476	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+H"	1.007276
"1364603"	56.973676	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H"	1.007276
"138950"	56.973676	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+2H"	2.014552
"573770"	84.956876	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+2H"	2.014552
"1041474"	28.990476	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2H"	2.014552
"209377"	38.3182093333333	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+3H"	3.021828
"651124"	56.973676	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+3H"	3.021828
"1168157"	19.6627426666667	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+3H"	3.021828
"431428"	129.966623	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+NH4"	18.033823
"794615"	185.933023	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+NH4"	18.033823
"1690944"	74.000223	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+NH4"	18.033823
"333755"	65.4869495	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+H+NH4"	19.041099
"725447"	93.4701495	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+H+NH4"	19.041099
"1479028"	37.5037495	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H+NH4"	19.041099
"398680"	134.922018	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+Na"	22.989218
"761864"	190.888418	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+Na"	22.989218
"1613247"	78.955618	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Na"	22.989218
"322189"	67.964647	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+H+Na"	23.996494
"712423"	95.947847	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+H+Na"	23.996494
"1468434"	39.981447	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H+Na"	23.996494
"1066788"	26.9900566666667	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2H+Na"	25.00377
"1271016"	88.999886	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+CH3OH+H"	33.033486
"390685"	150.895958	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+K"	38.963158
"748400"	206.862358	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+K"	38.963158
"1549357"	94.929558	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+K"	38.963158
"305441"	75.951617	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+H+K"	39.970434
"700776"	103.934817	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+H+K"	39.970434
"1454962"	47.968417	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H+K"	39.970434
"243561"	153.966626	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+ACN+H"	42.033826
"1217727"	98.000226	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+ACN+H"	42.033826
"1205628"	49.503751	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+ACN+2H"	43.041102
"198497"	156.90396	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+2Na-H"	44.97116
"638056"	212.87036	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+2Na-H"	44.97116
"1141566"	100.93756	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2Na-H"	44.97116
"178656"	78.955618	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+2Na"	45.978436
"620041"	106.938818	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+2Na"	45.978436
"1122452"	50.972418	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2Na"	45.978436
"1404888"	34.3173706666667	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H+2Na"	46.985712
"1436639"	102.979146	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H+HCOOH"	47.012746
"223416"	83.98864	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+3H2O+2H"	56.04448
"1513664"	117.03119	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+IsoProp+H"	61.06479
"410430"	86.942588	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+Na+K"	61.952376
"770817"	114.925788	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+Na+K"	61.952376
"1667756"	58.959388	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Na+K"	61.952376
"253911"	175.948568	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+ACN+Na"	64.015768
"1234273"	119.982168	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+ACN+Na"	64.015768
"1718786"	120.005693	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+NH4+HCOOH"	64.039293
"1184140"	41.6446846666667	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+3Na"	68.967654
"1656218"	124.961088	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Na+HCOOH"	68.994688
"157323"	188.85184	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+2K-H"	76.91904
"603745"	244.81824	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+2K-H"	76.91904
"1092635"	132.88544	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2K-H"	76.91904
"152732"	94.929558	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"2M+2K"	77.926316
"594238"	122.912758	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"3M+2K"	77.926316
"1083859"	66.946358	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2K"	77.926316
"1114270"	134.899992	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2K+H"	78.933592
"1351019"	134.987607	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+DMSO+H"	79.021207
"1020643"	139.026776	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2ACN+H"	83.060376
"1537309"	140.020408	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+IsoProp+Na+H"	84.054008
"1003757"	70.017026	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+2ACN+2H"	84.067652
"1601666"	140.935028	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+K+HCOOH"	84.968628
"1429397"	170.966538	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+H+CF3COOH"	115.000138
"1161985"	90.530301	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+3ACN+2H"	125.094202
"1712267"	187.993085	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+NH4+CF3COOH"	132.026685
"1649375"	192.94848	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+Na+CF3COOH"	136.98208
"1576276"	208.92242	"C12568"	"Potassium hydroxide"	"KOH"	"55.9664"	"M+K+CF3COOH"	152.95602
"806641"	39.9925	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M"	0
"975433"	20.97411	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-H2O-H"	-19.01839
"65864"	25.6543906666667	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M-3H"	-3.021828
"503599"	38.985224	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M-3H"	-3.021828
"880672"	12.3235573333333	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-3H"	-3.021828
"1068"	38.985224	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M-2H"	-2.014552
"441123"	58.981474	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M-2H"	-2.014552
"832590"	18.988974	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-2H"	-2.014552
"91558"	78.977724	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M-H"	-1.007276
"526744"	118.970224	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M-H"	-1.007276
"900170"	38.985224	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-H"	-1.007276
"49196"	96.004271	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M-2H+NH4"	16.019271
"488876"	135.996771	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M-2H+NH4"	16.019271
"864969"	56.011771	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-2H+NH4"	16.019271
"33365"	100.959666	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M-2H+Na"	20.974666
"472312"	140.952166	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M-2H+Na"	20.974666
"853161"	60.967166	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-2H+Na"	20.974666
"1620148"	60.967166	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Na-2H"	20.974666
"106524"	56.973563	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M-H+Cl"	33.962126
"547178"	76.969813	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M-H+Cl"	33.962126
"936318"	36.977313	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-H+Cl"	33.962126
"273780"	114.954402	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+Cl"	34.969402
"670577"	154.946902	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+Cl"	34.969402
"1287236"	74.961902	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Cl"	34.969402
"28818"	116.933606	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M-2H+K"	36.948606
"467284"	156.926106	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M-2H+K"	36.948606
"845087"	76.941106	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-2H+K"	36.948606
"1569671"	76.941106	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+K-2H"	36.948606
"955004"	84.990694	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-H+HCOOH"	44.998194
"368118"	124.983201	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+HCOOH-H"	44.998201
"355282"	138.998851	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+Hac-H"	59.013851
"1506668"	99.006351	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Hac-H"	59.013851
"973117"	106.972651	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-H+NaCOOH"	66.980151
"124096"	74.961902	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+2Cl"	69.938804
"564139"	94.958152	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+2Cl"	69.938804
"1032937"	54.965652	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2Cl"	69.938804
"1247412"	118.911385	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Br"	78.918885
"1312046"	120.967372	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Cl+HCOOH"	80.974872
"1335430"	142.949329	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Cl+NaCOOH"	102.956829
"924251"	152.978086	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M-H+CF3COOH"	112.985586
"1303027"	188.954764	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Cl+CF3COOH"	148.962264
"1377660"	4.979824	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H-2H2O"	-35.012676
"1397228"	22.9898	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H-H2O"	-17.0027
"295947"	80.992276	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+H"	1.007276
"689948"	120.984776	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+H"	1.007276
"1363984"	40.999776	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H"	1.007276
"137236"	40.999776	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+2H"	2.014552
"573880"	60.996026	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+2H"	2.014552
"1040125"	21.003526	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2H"	2.014552
"213861"	27.6689426666667	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+3H"	3.021828
"652328"	40.999776	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+3H"	3.021828
"1167538"	14.3381093333333	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+3H"	3.021828
"431539"	98.018823	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+NH4"	18.033823
"798005"	138.011323	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+NH4"	18.033823
"1691055"	58.026323	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+NH4"	18.033823
"337145"	49.5130495	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+H+NH4"	19.041099
"725193"	69.5092995	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+H+NH4"	19.041099
"1479381"	29.5167995	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H+NH4"	19.041099
"398790"	102.974218	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+Na"	22.989218
"763067"	142.966718	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+Na"	22.989218
"1612263"	62.981718	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Na"	22.989218
"322299"	51.990747	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+H+Na"	23.996494
"712532"	71.986997	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+H+Na"	23.996494
"1464527"	31.994497	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H+Na"	23.996494
"1058502"	21.6654233333333	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2H+Na"	25.00377
"1272547"	73.025986	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+CH3OH+H"	33.033486
"392214"	118.948158	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+K"	38.963158
"749604"	158.940658	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+K"	38.963158
"1550561"	78.955658	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+K"	38.963158
"308831"	59.977717	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+H+K"	39.970434
"699065"	79.973967	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+H+K"	39.970434
"1453979"	39.981467	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H+K"	39.970434
"247316"	122.018826	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+ACN+H"	42.033826
"1219659"	82.026326	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+ACN+H"	42.033826
"1207924"	41.516801	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+ACN+2H"	43.041102
"198607"	124.95616	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+2Na-H"	44.97116
"638166"	164.94866	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+2Na-H"	44.97116
"1142769"	84.96366	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2Na-H"	44.97116
"182776"	62.981718	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+2Na"	45.978436
"623433"	82.977968	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+2Na"	45.978436
"1126937"	42.985468	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2Na"	45.978436
"1406456"	28.9927373333333	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H+2Na"	46.985712
"1437478"	87.005246	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H+HCOOH"	47.012746
"226806"	68.01474	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+3H2O+2H"	56.04448
"1513774"	101.05729	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+IsoProp+H"	61.06479
"415645"	70.968688	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+Na+K"	61.952376
"774818"	90.964938	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+Na+K"	61.952376
"1669687"	50.972438	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Na+K"	61.952376
"254750"	144.000768	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+ACN+Na"	64.015768
"1235477"	104.008268	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+ACN+Na"	64.015768
"1718896"	104.031793	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+NH4+HCOOH"	64.039293
"1184250"	36.3200513333333	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+3Na"	68.967654
"1656328"	108.987188	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Na+HCOOH"	68.994688
"157357"	156.90404	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+2K-H"	76.91904
"606041"	196.89654	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+2K-H"	76.91904
"1092745"	116.91154	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2K-H"	76.91904
"152842"	78.955658	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"2M+2K"	77.926316
"593497"	98.951908	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"3M+2K"	77.926316
"1083608"	58.959408	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2K"	77.926316
"1114744"	118.926092	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2K+H"	78.933592
"1350402"	119.013707	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+DMSO+H"	79.021207
"1020390"	123.052876	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2ACN+H"	83.060376
"1536447"	124.046508	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+IsoProp+Na+H"	84.054008
"1002531"	62.030076	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+2ACN+2H"	84.067652
"1602510"	124.961128	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+K+HCOOH"	84.968628
"1429696"	154.992638	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+H+CF3COOH"	115.000138
"1162096"	82.543351	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+3ACN+2H"	125.094202
"1712377"	172.019185	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+NH4+CF3COOH"	132.026685
"1649121"	176.97458	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+Na+CF3COOH"	136.98208
"1576386"	192.94852	"C12569"	"Sodium hydroxide"	"NaOH"	"39.9925"	"M+K+CF3COOH"	152.95602
"806751"	79.9241	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M"	0
"975908"	60.90571	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-H2O-H"	-19.01839
"66339"	52.2754573333333	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M-3H"	-3.021828
"503103"	78.916824	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M-3H"	-3.021828
"880781"	25.6340906666667	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-3H"	-3.021828
"1176"	78.916824	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M-2H"	-2.014552
"440209"	118.878874	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M-2H"	-2.014552
"818054"	38.954774	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-2H"	-2.014552
"92762"	158.840924	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M-H"	-1.007276
"526855"	238.765024	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M-H"	-1.007276
"899187"	78.916824	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-H"	-1.007276
"50280"	175.867471	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M-2H+NH4"	16.019271
"489838"	255.791571	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M-2H+NH4"	16.019271
"868734"	95.943371	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-2H+NH4"	16.019271
"34449"	180.822866	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M-2H+Na"	20.974666
"476198"	260.746966	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M-2H+Na"	20.974666
"854000"	100.898766	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-2H+Na"	20.974666
"1629003"	100.898766	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Na-2H"	20.974666
"108820"	96.905163	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M-H+Cl"	33.962126
"548260"	136.867213	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M-H+Cl"	33.962126
"936428"	56.943113	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-H+Cl"	33.962126
"277170"	194.817602	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+Cl"	34.969402
"672874"	274.741702	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+Cl"	34.969402
"1287346"	114.893502	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Cl"	34.969402
"29902"	196.796806	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M-2H+K"	36.948606
"469949"	276.720906	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M-2H+K"	36.948606
"845197"	116.872706	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-2H+K"	36.948606
"1568323"	116.872706	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+K-2H"	36.948606
"954021"	124.922294	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-H+HCOOH"	44.998194
"368228"	204.846401	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+HCOOH-H"	44.998201
"352111"	218.862051	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+Hac-H"	59.013851
"1503131"	138.937951	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Hac-H"	59.013851
"970674"	146.904251	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-H+NaCOOH"	66.980151
"124326"	114.893502	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+2Cl"	69.938804
"562426"	154.855552	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+2Cl"	69.938804
"1035234"	74.931452	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2Cl"	69.938804
"1250802"	158.842985	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Br"	78.918885
"1312156"	160.898972	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Cl+HCOOH"	80.974872
"1334037"	182.880929	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Cl+NaCOOH"	102.956829
"924363"	192.909686	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M-H+CF3COOH"	112.985586
"1300340"	228.886364	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Cl+CF3COOH"	148.962264
"1376676"	44.911424	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H-2H2O"	-35.012676
"1397338"	62.9214	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H-H2O"	-17.0027
"297150"	160.855476	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+H"	1.007276
"689570"	240.779576	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+H"	1.007276
"1362274"	80.931376	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H"	1.007276
"133336"	80.931376	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+2H"	2.014552
"576178"	120.893426	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+2H"	2.014552
"1046068"	40.969326	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2H"	2.014552
"211784"	54.2900093333333	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+3H"	3.021828
"654991"	80.931376	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+3H"	3.021828
"1172388"	27.6486426666667	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+3H"	3.021828
"430555"	177.882023	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+NH4"	18.033823
"800667"	257.806123	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+NH4"	18.033823
"1690801"	97.957923	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+NH4"	18.033823
"339441"	89.4446495	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+H+NH4"	19.041099
"726032"	129.4066995	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+H+NH4"	19.041099
"1479855"	49.4825995	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H+NH4"	19.041099
"397441"	182.837418	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+Na"	22.989218
"759897"	262.761518	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+Na"	22.989218
"1613467"	102.913318	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Na"	22.989218
"326783"	91.922347	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+H+Na"	23.996494
"713736"	131.884397	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+H+Na"	23.996494
"1464276"	51.960297	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H+Na"	23.996494
"1059705"	34.9759566666667	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2H+Na"	25.00377
"1258831"	112.957586	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+CH3OH+H"	33.033486
"389811"	198.811358	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+K"	38.963158
"749716"	278.735458	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+K"	38.963158
"1551766"	118.887258	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+K"	38.963158
"307847"	99.909317	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+H+K"	39.970434
"699174"	139.871367	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+H+K"	39.970434
"1454088"	59.947267	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H+K"	39.970434
"244874"	201.882026	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+ACN+H"	42.033826
"1216488"	121.957926	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+ACN+H"	42.033826
"1206940"	61.482601	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+ACN+2H"	43.041102
"199810"	204.81936	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+2Na-H"	44.97116
"638276"	284.74346	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+2Na-H"	44.97116
"1142515"	124.89526	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2Na-H"	44.97116
"183979"	102.913318	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+2Na"	45.978436
"620623"	142.875368	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+2Na"	45.978436
"1125952"	62.951268	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2Na"	45.978436
"1410209"	42.3032706666667	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H+2Na"	46.985712
"1440503"	126.936846	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H+HCOOH"	47.012746
"226915"	107.94634	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+3H2O+2H"	56.04448
"1516072"	140.98889	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+IsoProp+H"	61.06479
"416848"	110.900288	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+Na+K"	61.952376
"778938"	150.862338	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+Na+K"	61.952376
"1670893"	70.938238	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Na+K"	61.952376
"256319"	223.863968	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+ACN+Na"	64.015768
"1237774"	143.939868	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+ACN+Na"	64.015768
"1721193"	143.963393	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+NH4+HCOOH"	64.039293
"1187640"	49.6305846666667	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+3Na"	68.967654
"1655345"	148.918788	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Na+HCOOH"	68.994688
"157149"	236.76724	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+2K-H"	76.91904
"605057"	316.69134	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+2K-H"	76.91904
"1098569"	156.84314	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2K-H"	76.91904
"156977"	118.887258	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"2M+2K"	77.926316
"596405"	158.849308	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"3M+2K"	77.926316
"1083473"	78.925208	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2K"	77.926316
"1115099"	158.857692	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2K+H"	78.933592
"1350633"	158.945307	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+DMSO+H"	79.021207
"1020619"	162.984476	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2ACN+H"	83.060376
"1539679"	163.978108	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+IsoProp+Na+H"	84.054008
"1002641"	81.995876	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+2ACN+2H"	84.067652
"1602263"	164.892728	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+K+HCOOH"	84.968628
"1429711"	194.924238	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+H+CF3COOH"	115.000138
"1161843"	102.509151	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+3ACN+2H"	125.094202
"1712123"	211.950785	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+NH4+CF3COOH"	132.026685
"1649231"	216.90618	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+Na+CF3COOH"	136.98208
"1576496"	232.88012	"C12570"	"Zinc oxide"	"ZnO"	"79.9241"	"M+K+CF3COOH"	152.95602
"806861"	356.1736	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M"	0
"975046"	337.15521	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-H2O-H"	-19.01839
"65352"	236.441790666667	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M-3H"	-3.021828
"503289"	355.166324	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M-3H"	-3.021828
"880193"	117.717257333333	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-3H"	-3.021828
"636"	355.166324	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M-2H"	-2.014552
"440516"	533.253124	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M-2H"	-2.014552
"817228"	177.079524	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-2H"	-2.014552
"92510"	711.339924	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M-H"	-1.007276
"528059"	1067.513524	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M-H"	-1.007276
"898204"	355.166324	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-H"	-1.007276
"50391"	728.366471	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M-2H+NH4"	16.019271
"490679"	1084.540071	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M-2H+NH4"	16.019271
"866657"	372.192871	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-2H+NH4"	16.019271
"36384"	733.321866	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M-2H+Na"	20.974666
"476672"	1089.495466	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M-2H+Na"	20.974666
"861039"	377.148266	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-2H+Na"	20.974666
"1629113"	377.148266	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Na-2H"	20.974666
"105651"	373.154663	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M-H+Cl"	33.962126
"541930"	551.241463	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M-H+Cl"	33.962126
"938724"	195.067863	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-H+Cl"	33.962126
"277280"	747.316602	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+Cl"	34.969402
"671891"	1103.490202	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+Cl"	34.969402
"1287215"	391.143002	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Cl"	34.969402
"30500"	749.295806	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M-2H+K"	36.948606
"470789"	1105.469406	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M-2H+K"	36.948606
"847498"	393.122206	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-2H+K"	36.948606
"1561145"	393.122206	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+K-2H"	36.948606
"951214"	401.171794	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-H+HCOOH"	44.998194
"373077"	757.345401	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+HCOOH-H"	44.998201
"352221"	771.361051	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+Hac-H"	59.013851
"1498866"	415.187451	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Hac-H"	59.013851
"970784"	423.153751	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-H+NaCOOH"	66.980151
"125045"	391.143002	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+2Cl"	69.938804
"558161"	569.229802	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+2Cl"	69.938804
"1032428"	213.056202	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2Cl"	69.938804
"1254922"	435.092485	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Br"	78.918885
"1312266"	437.148472	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Cl+HCOOH"	80.974872
"1334512"	459.130429	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Cl+NaCOOH"	102.956829
"925201"	469.159186	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M-H+CF3COOH"	112.985586
"1300814"	505.135864	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Cl+CF3COOH"	148.962264
"1377879"	321.160924	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H-2H2O"	-35.012676
"1397934"	339.1709	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H-H2O"	-17.0027
"297259"	713.354476	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+H"	1.007276
"690291"	1069.528076	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+H"	1.007276
"1362382"	357.180876	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H"	1.007276
"136000"	357.180876	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+2H"	2.014552
"578113"	535.267676	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+2H"	2.014552
"1049829"	179.094076	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2H"	2.014552
"216270"	238.456342666667	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+3H"	3.021828
"657168"	357.180876	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+3H"	3.021828
"1170311"	119.731809333333	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+3H"	3.021828
"436136"	730.381023	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+NH4"	18.033823
"797132"	1086.554623	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+NH4"	18.033823
"1690912"	374.207423	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+NH4"	18.033823
"340648"	365.6941495	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+H+NH4"	19.041099
"726507"	543.7809495	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+H+NH4"	19.041099
"1479965"	187.6073495	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H+NH4"	19.041099
"397551"	735.336418	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+Na"	22.989218
"760007"	1091.510018	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+Na"	22.989218
"1615763"	379.162818	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Na"	22.989218
"319238"	368.171847	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+H+Na"	23.996494
"713846"	546.258647	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+H+Na"	23.996494
"1465479"	190.085047	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H+Na"	23.996494
"1058722"	127.059123333333	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2H+Na"	25.00377
"1258941"	389.207086	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+CH3OH+H"	33.033486
"388828"	751.310358	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+K"	38.963158
"749827"	1107.483958	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+K"	38.963158
"1550783"	395.136758	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+K"	38.963158
"307957"	376.158817	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+H+K"	39.970434
"699284"	554.245617	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+H+K"	39.970434
"1453104"	198.072017	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H+K"	39.970434
"244983"	754.381026	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+ACN+H"	42.033826
"1216597"	398.207426	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+ACN+H"	42.033826
"1204864"	199.607351	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+ACN+2H"	43.041102
"199920"	757.31836	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+2Na-H"	44.97116
"638385"	1113.49196	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+2Na-H"	44.97116
"1139706"	401.14476	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2Na-H"	44.97116
"179714"	379.162818	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+2Na"	45.978436
"617089"	557.249618	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+2Na"	45.978436
"1120595"	201.076018	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2Na"	45.978436
"1404118"	134.386437333333	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H+2Na"	46.985712
"1436233"	403.186346	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H+HCOOH"	47.012746
"224839"	384.19584	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+3H2O+2H"	56.04448
"1517274"	417.23839	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+IsoProp+H"	61.06479
"411854"	387.149788	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+Na+K"	61.952376
"775767"	565.236588	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+Na+K"	61.952376
"1668085"	209.062988	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Na+K"	61.952376
"256428"	776.362968	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+ACN+Na"	64.015768
"1232781"	420.189368	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+ACN+Na"	64.015768
"1718751"	420.212893	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+NH4+HCOOH"	64.039293
"1180823"	141.713751333333	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+3Na"	68.967654
"1651445"	425.168288	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Na+HCOOH"	68.994688
"157372"	789.26624	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+2K-H"	76.91904
"601887"	1145.43984	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+2K-H"	76.91904
"1099287"	433.09264	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2K-H"	76.91904
"156963"	395.136758	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"2M+2K"	77.926316
"596879"	573.223558	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"3M+2K"	77.926316
"1083950"	217.049958	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2K"	77.926316
"1115089"	435.107192	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2K+H"	78.933592
"1350944"	435.194807	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+DMSO+H"	79.021207
"1020364"	439.233976	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2ACN+H"	83.060376
"1539667"	440.227608	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+IsoProp+Na+H"	84.054008
"1003844"	220.120626	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+2ACN+2H"	84.067652
"1598711"	441.142228	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+K+HCOOH"	84.968628
"1424370"	471.173738	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+H+CF3COOH"	115.000138
"1162400"	240.633901	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+3ACN+2H"	125.094202
"1712110"	488.200285	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+NH4+CF3COOH"	132.026685
"1648612"	493.15568	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+Na+CF3COOH"	136.98208
"1576606"	509.12962	"C12574"	"Pheniramine maleate"	"C16H20N2C4H4O4"	"356.1736"	"M+K+CF3COOH"	152.95602
"806971"	329.1991	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M"	0
"983783"	310.18071	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-H2O-H"	-19.01839
"69839"	218.458790666667	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M-3H"	-3.021828
"507210"	328.191824	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M-3H"	-3.021828
"882828"	108.725757333333	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-3H"	-3.021828
"2494"	328.191824	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M-2H"	-2.014552
"440958"	492.791374	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M-2H"	-2.014552
"818396"	163.592274	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-2H"	-2.014552
"92742"	657.390924	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M-H"	-1.007276
"530356"	986.590024	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M-H"	-1.007276
"900502"	328.191824	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-H"	-1.007276
"52690"	674.417471	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M-2H+NH4"	16.019271
"491519"	1003.616571	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M-2H+NH4"	16.019271
"868592"	345.218371	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-2H+NH4"	16.019271
"43421"	679.372866	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M-2H+Na"	20.974666
"481885"	1008.571966	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M-2H+Na"	20.974666
"856409"	350.173766	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-2H+Na"	20.974666
"1628130"	350.173766	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Na-2H"	20.974666
"106855"	346.180163	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M-H+Cl"	33.962126
"545320"	510.779713	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M-H+Cl"	33.962126
"937741"	181.580613	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-H+Cl"	33.962126
"280066"	693.367602	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+Cl"	34.969402
"672853"	1022.566702	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+Cl"	34.969402
"1287689"	364.168502	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Cl"	34.969402
"31182"	695.346806	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M-2H+K"	36.948606
"471244"	1024.545906	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M-2H+K"	36.948606
"848435"	366.147706	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-2H+K"	36.948606
"1569638"	366.147706	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+K-2H"	36.948606
"956065"	374.197294	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-H+HCOOH"	44.998194
"376103"	703.396401	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+HCOOH-H"	44.998201
"355611"	717.412051	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+Hac-H"	59.013851
"1500070"	388.212951	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Hac-H"	59.013851
"963235"	396.179251	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-H+NaCOOH"	66.980151
"124057"	364.168502	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+2Cl"	69.938804
"562646"	528.768052	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+2Cl"	69.938804
"1031445"	199.568952	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2Cl"	69.938804
"1256126"	408.117985	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Br"	78.918885
"1314564"	410.173972	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Cl+HCOOH"	80.974872
"1330969"	432.155929	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Cl+NaCOOH"	102.956829
"920932"	442.184686	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M-H+CF3COOH"	112.985586
"1297641"	478.161364	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Cl+CF3COOH"	148.962264
"1376895"	294.186424	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H-2H2O"	-35.012676
"1397559"	312.1964	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H-H2O"	-17.0027
"293726"	659.405476	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+H"	1.007276
"687241"	988.604576	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+H"	1.007276
"1364683"	330.206376	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H"	1.007276
"139759"	330.206376	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+2H"	2.014552
"578223"	494.805926	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+2H"	2.014552
"1049574"	165.606826	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2H"	2.014552
"213827"	220.473342666667	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+3H"	3.021828
"657033"	330.206376	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+3H"	3.021828
"1173703"	110.740309333333	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+3H"	3.021828
"436612"	676.432023	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+NH4"	18.033823
"797974"	1005.631123	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+NH4"	18.033823
"1691022"	347.232923	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+NH4"	18.033823
"341125"	338.7196495	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+H+NH4"	19.041099
"728804"	503.3191995	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+H+NH4"	19.041099
"1483721"	174.1200995	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H+NH4"	19.041099
"402401"	681.387418	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+Na"	22.989218
"760117"	1010.586518	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+Na"	22.989218
"1616847"	352.188318	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Na"	22.989218
"324087"	341.197347	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+H+Na"	23.996494
"718331"	505.796897	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+H+Na"	23.996494
"1466682"	176.597797	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H+Na"	23.996494
"1059926"	118.067623333333	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2H+Na"	25.00377
"1260510"	362.232586	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+CH3OH+H"	33.033486
"386742"	697.361358	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+K"	38.963158
"747748"	1026.560458	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+K"	38.963158
"1547613"	368.162258	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+K"	38.963158
"301872"	349.184317	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+H+K"	39.970434
"696112"	513.783867	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+H+K"	39.970434
"1451024"	184.584767	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H+K"	39.970434
"245092"	700.432026	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+ACN+H"	42.033826
"1215613"	371.232926	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+ACN+H"	42.033826
"1204974"	186.120101	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+ACN+2H"	43.041102
"200762"	703.36936	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+2Na-H"	44.97116
"638502"	1032.56846	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+2Na-H"	44.97116
"1139820"	374.17026	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2Na-H"	44.97116
"183109"	352.188318	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+2Na"	45.978436
"623763"	516.787868	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+2Na"	45.978436
"1122894"	187.588768	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2Na"	45.978436
"1406417"	125.394937333333	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H+2Na"	46.985712
"1438534"	376.211846	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H+HCOOH"	47.012746
"226044"	357.22134	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+3H2O+2H"	56.04448
"1513011"	390.26389	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+IsoProp+H"	61.06479
"415979"	360.175288	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+Na+K"	61.952376
"776973"	524.774838	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+Na+K"	61.952376
"1673304"	195.575738	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Na+K"	61.952376
"258728"	722.413968	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+ACN+Na"	64.015768
"1232531"	393.214868	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+ACN+Na"	64.015768
"1715216"	393.238393	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+NH4+HCOOH"	64.039293
"1183121"	132.722251333333	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+3Na"	68.967654
"1654836"	398.193788	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Na+HCOOH"	68.994688
"163528"	735.31724	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+2K-H"	76.91904
"607464"	1064.51634	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+2K-H"	76.91904
"1097086"	406.11814	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2K-H"	76.91904
"153176"	368.162258	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"2M+2K"	77.926316
"594920"	532.761808	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"3M+2K"	77.926316
"1083081"	203.562708	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2K"	77.926316
"1112644"	408.132692	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2K+H"	78.933592
"1351094"	408.220307	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+DMSO+H"	79.021207
"1018651"	412.259476	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2ACN+H"	83.060376
"1536777"	413.253108	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+IsoProp+Na+H"	84.054008
"1002131"	206.633376	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+2ACN+2H"	84.067652
"1597727"	414.167728	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+K+HCOOH"	84.968628
"1422293"	444.199238	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+H+CF3COOH"	115.000138
"1160236"	227.146651	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+3ACN+2H"	125.094202
"1701038"	461.225785	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+NH4+CF3COOH"	132.026685
"1647261"	466.18118	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+Na+CF3COOH"	136.98208
"1579995"	482.15512	"C12580"	"Trilostane"	"C20H27NO3"	"329.1991"	"M+K+CF3COOH"	152.95602
"807081"	206.1055	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M"	0
"977333"	187.08711	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-H2O-H"	-19.01839
"66669"	136.396390666667	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M-3H"	-3.021828
"504039"	205.098224	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M-3H"	-3.021828
"880137"	67.6945573333333	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-3H"	-3.021828
"127"	205.098224	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M-2H"	-2.014552
"440289"	308.150974	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M-2H"	-2.014552
"817520"	102.045474	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-2H"	-2.014552
"92851"	411.203724	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M-H"	-1.007276
"527185"	617.309224	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M-H"	-1.007276
"899519"	205.098224	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-H"	-1.007276
"53163"	428.230271	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M-2H+NH4"	16.019271
"492358"	634.335771	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M-2H+NH4"	16.019271
"867973"	222.124771	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-2H+NH4"	16.019271
"43167"	433.185666	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M-2H+Na"	20.974666
"479809"	639.291166	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M-2H+Na"	20.974666
"855790"	227.080166	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-2H+Na"	20.974666
"1628240"	227.080166	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Na-2H"	20.974666
"102588"	223.086563	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M-H+Cl"	33.962126
"547617"	326.139313	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M-H+Cl"	33.962126
"940038"	120.033813	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-H+Cl"	33.962126
"279324"	447.180402	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+Cl"	34.969402
"671748"	653.285902	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+Cl"	34.969402
"1286342"	241.074902	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Cl"	34.969402
"28899"	449.159606	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M-2H+K"	36.948606
"469917"	655.265106	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M-2H+K"	36.948606
"847353"	243.054106	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-2H+K"	36.948606
"1564643"	243.054106	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+K-2H"	36.948606
"947058"	251.103694	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-H+HCOOH"	44.998194
"370740"	457.209201	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+HCOOH-H"	44.998201
"346483"	471.224851	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+Hac-H"	59.013851
"1496896"	265.119351	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Hac-H"	59.013851
"962252"	273.085651	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-H+NaCOOH"	66.980151
"118823"	241.074902	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+2Cl"	69.938804
"561663"	344.127652	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+2Cl"	69.938804
"1030462"	138.022152	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2Cl"	69.938804
"1255509"	285.024385	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Br"	78.918885
"1314674"	287.080372	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Cl+HCOOH"	80.974872
"1327799"	309.062329	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Cl+NaCOOH"	102.956829
"915576"	319.091086	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M-H+CF3COOH"	112.985586
"1293377"	355.067764	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Cl+CF3COOH"	148.962264
"1375912"	171.092824	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H-2H2O"	-35.012676
"1394504"	189.1028	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H-H2O"	-17.0027
"295657"	413.218276	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+H"	1.007276
"689538"	619.323776	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+H"	1.007276
"1365888"	207.112776	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H"	1.007276
"140235"	207.112776	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+2H"	2.014552
"578335"	310.165526	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+2H"	2.014552
"1049684"	104.060026	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2H"	2.014552
"214301"	138.410942666667	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+3H"	3.021828
"657143"	207.112776	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+3H"	3.021828
"1176730"	69.7091093333333	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+3H"	3.021828
"437818"	430.244823	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+NH4"	18.033823
"798084"	636.350323	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+NH4"	18.033823
"1691496"	224.139323	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+NH4"	18.033823
"341598"	215.6260495	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+H+NH4"	19.041099
"731101"	318.6787995	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+H+NH4"	19.041099
"1484924"	112.5732995	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H+NH4"	19.041099
"400324"	435.200218	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+Na"	22.989218
"760227"	641.305718	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+Na"	22.989218
"1609417"	229.094718	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Na"	22.989218
"324561"	218.103747	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+H+Na"	23.996494
"715156"	321.156497	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+H+Na"	23.996494
"1468978"	115.050997	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H+Na"	23.996494
"1060035"	77.0364233333333	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2H+Na"	25.00377
"1261348"	239.138986	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+CH3OH+H"	33.033486
"386852"	451.174158	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+K"	38.963158
"751126"	657.279658	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+K"	38.963158
"1546629"	245.068658	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+K"	38.963158
"302710"	226.090717	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+H+K"	39.970434
"697316"	329.143467	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+H+K"	39.970434
"1451135"	123.037967	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H+K"	39.970434
"247754"	454.244826	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+ACN+H"	42.033826
"1217910"	248.139326	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+ACN+H"	42.033826
"1207270"	124.573301	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+ACN+2H"	43.041102
"202329"	457.18216	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+2Na-H"	44.97116
"639702"	663.28766	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+2Na-H"	44.97116
"1143210"	251.07666	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2Na-H"	44.97116
"184311"	229.094718	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+2Na"	45.978436
"624966"	332.147468	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+2Na"	45.978436
"1125192"	126.041968	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2Na"	45.978436
"1408714"	84.3637373333333	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H+2Na"	46.985712
"1441563"	253.118246	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H+HCOOH"	47.012746
"229434"	234.12774	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+3H2O+2H"	56.04448
"1518588"	267.17029	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+IsoProp+H"	61.06479
"419370"	237.081688	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+Na+K"	61.952376
"777084"	340.134438	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+Na+K"	61.952376
"1673415"	134.028938	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Na+K"	61.952376
"255558"	476.226768	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+ACN+Na"	64.015768
"1229361"	270.121268	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+ACN+Na"	64.015768
"1716422"	270.144793	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+NH4+HCOOH"	64.039293
"1184692"	91.6910513333333	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+3Na"	68.967654
"1654585"	275.100188	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Na+HCOOH"	68.994688
"161451"	489.13004	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+2K-H"	76.91904
"605388"	695.23554	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+2K-H"	76.91904
"1095373"	283.02454	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2K-H"	76.91904
"155108"	245.068658	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"2M+2K"	77.926316
"592843"	348.121408	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"3M+2K"	77.926316
"1083558"	142.015908	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2K"	77.926316
"1114697"	285.039092	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2K+H"	78.933592
"1350967"	285.126707	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+DMSO+H"	79.021207
"1021032"	289.165876	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2ACN+H"	83.060376
"1536885"	290.159508	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+IsoProp+Na+H"	84.054008
"1003335"	145.086576	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+2ACN+2H"	84.067652
"1601117"	291.074128	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+K+HCOOH"	84.968628
"1425683"	321.105638	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+H+CF3COOH"	115.000138
"1157065"	165.599851	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+3ACN+2H"	125.094202
"1701148"	338.132185	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+NH4+CF3COOH"	132.026685
"1647735"	343.08758	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+Na+CF3COOH"	136.98208
"1580105"	359.06152	"C12590"	"Pheneturide;Ethylphenacemide"	"C11H14N2O2"	"206.1055"	"M+K+CF3COOH"	152.95602
"807191"	247.0427	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M"	0
"984004"	228.02431	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-H2O-H"	-19.01839
"68967"	163.687857333333	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M-3H"	-3.021828
"503787"	246.035424	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M-3H"	-3.021828
"880607"	81.3402906666667	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-3H"	-3.021828
"1742"	246.035424	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M-2H"	-2.014552
"440363"	369.556774	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M-2H"	-2.014552
"817517"	122.514074	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-2H"	-2.014552
"92719"	493.078124	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M-H"	-1.007276
"522921"	740.120824	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M-H"	-1.007276
"902907"	246.035424	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-H"	-1.007276
"51083"	510.104671	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M-2H+NH4"	16.019271
"494656"	757.147371	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M-2H+NH4"	16.019271
"872457"	263.061971	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-2H+NH4"	16.019271
"44734"	515.060066	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M-2H+Na"	20.974666
"483198"	762.102766	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M-2H+Na"	20.974666
"855536"	268.017366	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-2H+Na"	20.974666
"1629443"	268.017366	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Na-2H"	20.974666
"107797"	264.023763	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M-H+Cl"	33.962126
"548579"	387.545113	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M-H+Cl"	33.962126
"941241"	140.502413	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-H+Cl"	33.962126
"281014"	529.054802	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+Cl"	34.969402
"675260"	776.097502	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+Cl"	34.969402
"1287057"	282.012102	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Cl"	34.969402
"30102"	531.034006	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M-2H+K"	36.948606
"470754"	778.076706	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M-2H+K"	36.948606
"848076"	283.991306	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-2H+K"	36.948606
"1570224"	283.991306	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+K-2H"	36.948606
"953728"	292.040894	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-H+HCOOH"	44.998194
"373037"	539.083601	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+HCOOH-H"	44.998201
"350360"	553.099251	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+Hac-H"	59.013851
"1499193"	306.056551	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Hac-H"	59.013851
"969653"	314.022851	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-H+NaCOOH"	66.980151
"123305"	282.012102	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+2Cl"	69.938804
"563959"	405.533452	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+2Cl"	69.938804
"1033851"	158.490752	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2Cl"	69.938804
"1256228"	325.961585	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Br"	78.918885
"1318794"	328.017572	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Cl+HCOOH"	80.974872
"1331188"	349.999529	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Cl+NaCOOH"	102.956829
"918965"	360.028286	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M-H+CF3COOH"	112.985586
"1300413"	396.004964	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Cl+CF3COOH"	148.962264
"1380032"	212.030024	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H-2H2O"	-35.012676
"1398182"	230.04	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H-H2O"	-17.0027
"296122"	495.092676	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+H"	1.007276
"690982"	742.135376	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+H"	1.007276
"1365881"	248.049976	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H"	1.007276
"140469"	248.049976	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+2H"	2.014552
"579666"	371.571326	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+2H"	2.014552
"1051259"	124.528626	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2H"	2.014552
"219519"	165.702409333333	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+3H"	3.021828
"659527"	248.049976	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+3H"	3.021828
"1175379"	83.3548426666667	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+3H"	3.021828
"436470"	512.119223	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+NH4"	18.033823
"798194"	759.161923	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+NH4"	18.033823
"1691606"	265.076523	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+NH4"	18.033823
"342801"	256.5632495	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+H+NH4"	19.041099
"732304"	380.0845995	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+H+NH4"	19.041099
"1485034"	133.0418995	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H+NH4"	19.041099
"401527"	517.074618	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+Na"	22.989218
"760337"	764.117318	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+Na"	22.989218
"1606247"	270.031918	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Na"	22.989218
"329846"	259.040947	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+H+Na"	23.996494
"715268"	382.562297	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+H+Na"	23.996494
"1473101"	135.519597	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H+Na"	23.996494
"1057963"	90.6821566666667	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2H+Na"	25.00377
"1265105"	280.076186	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+CH3OH+H"	33.033486
"384777"	533.048558	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+K"	38.963158
"750142"	780.091258	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+K"	38.963158
"1551840"	286.005858	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+K"	38.963158
"308285"	267.027917	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+H+K"	39.970434
"701800"	390.549267	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+H+K"	39.970434
"1455621"	143.506567	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H+K"	39.970434
"243127"	536.119226	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+ACN+H"	42.033826
"1215836"	289.076526	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+ACN+H"	42.033826
"1206287"	145.041901	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+ACN+2H"	43.041102
"201954"	539.05656	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+2Na-H"	44.97116
"642363"	786.09926	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+2Na-H"	44.97116
"1142226"	292.01386	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2Na-H"	44.97116
"184421"	270.031918	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+2Na"	45.978436
"623983"	393.553268	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+2Na"	45.978436
"1123113"	146.510568	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2Na"	45.978436
"1408824"	98.0094706666667	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H+2Na"	46.985712
"1443736"	294.055446	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H+HCOOH"	47.012746
"229544"	275.06494	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+3H2O+2H"	56.04448
"1516511"	308.10749	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+IsoProp+H"	61.06479
"418385"	278.018888	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+Na+K"	61.952376
"779379"	401.540238	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+Na+K"	61.952376
"1675710"	154.497538	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Na+K"	61.952376
"258948"	558.101168	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+ACN+Na"	64.015768
"1233844"	311.058468	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+ACN+Na"	64.015768
"1717261"	311.081993	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+NH4+HCOOH"	64.039293
"1181520"	105.336784666667	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+3Na"	68.967654
"1653599"	316.037388	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Na+HCOOH"	68.994688
"163748"	571.00444	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+2K-H"	76.91904
"607684"	818.04714	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+2K-H"	76.91904
"1096576"	323.96174	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2K-H"	76.91904
"155460"	286.005858	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"2M+2K"	77.926316
"594046"	409.527208	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"3M+2K"	77.926316
"1083789"	162.484508	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2K"	77.926316
"1113833"	325.976292	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2K+H"	78.933592
"1347060"	326.063907	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+DMSO+H"	79.021207
"1021062"	330.103076	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2ACN+H"	83.060376
"1537967"	331.096708	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+IsoProp+Na+H"	84.054008
"1005596"	165.555176	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+2ACN+2H"	84.067652
"1600134"	332.011328	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+K+HCOOH"	84.968628
"1427980"	362.042838	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+H+CF3COOH"	115.000138
"1153893"	186.068451	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+3ACN+2H"	125.094202
"1707818"	379.069385	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+NH4+CF3COOH"	132.026685
"1640190"	384.02478	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+Na+CF3COOH"	136.98208
"1580215"	399.99872	"C12599"	"Emtricitabine"	"C8H10FN3O3S"	"247.0427"	"M+K+CF3COOH"	152.95602
"813862"	354.0562	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M"	0
"984114"	335.03781	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-H2O-H"	-19.01839
"73450"	235.030190666667	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M-3H"	-3.021828
"504502"	353.048924	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M-3H"	-3.021828
"882067"	117.011457333333	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-3H"	-3.021828
"2827"	353.048924	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M-2H"	-2.014552
"441656"	530.077024	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M-2H"	-2.014552
"820552"	176.020824	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-2H"	-2.014552
"93932"	707.105124	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M-H"	-1.007276
"530686"	1061.161324	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M-H"	-1.007276
"903020"	353.048924	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-H"	-1.007276
"54114"	724.131671	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M-2H+NH4"	16.019271
"494767"	1078.187871	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M-2H+NH4"	16.019271
"871474"	370.075471	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-2H+NH4"	16.019271
"43752"	729.087066	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M-2H+Na"	20.974666
"478936"	1083.143266	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M-2H+Na"	20.974666
"863917"	375.030866	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-2H+Na"	20.974666
"1631742"	375.030866	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Na-2H"	20.974666
"107178"	371.037263	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M-H+Cl"	33.962126
"549055"	548.065363	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M-H+Cl"	33.962126
"942085"	194.009163	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-H+Cl"	33.962126
"282667"	743.081802	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+Cl"	34.969402
"675455"	1097.138002	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+Cl"	34.969402
"1286803"	389.025602	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Cl"	34.969402
"31066"	745.061006	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M-2H+K"	36.948606
"470510"	1099.117206	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M-2H+K"	36.948606
"848101"	391.004806	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-2H+K"	36.948606
"1570617"	391.004806	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+K-2H"	36.948606
"954933"	399.054394	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-H+HCOOH"	44.998194
"376975"	753.110601	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+HCOOH-H"	44.998201
"352658"	767.126251	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+Hac-H"	59.013851
"1498208"	413.070051	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Hac-H"	59.013851
"973781"	421.036351	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-H+NaCOOH"	66.980151
"125237"	389.025602	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+2Cl"	69.938804
"561887"	566.053702	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+2Cl"	69.938804
"1034699"	211.997502	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2Cl"	69.938804
"1254641"	432.975085	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Br"	78.918885
"1319596"	435.031072	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Cl+HCOOH"	80.974872
"1334581"	457.013029	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Cl+NaCOOH"	102.956829
"926007"	467.041786	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M-H+CF3COOH"	112.985586
"1302715"	503.018464	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Cl+CF3COOH"	148.962264
"1380874"	319.043524	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H-2H2O"	-35.012676
"1394361"	337.0535	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H-H2O"	-17.0027
"298064"	709.119676	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+H"	1.007276
"688660"	1063.175876	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+H"	1.007276
"1366113"	355.063476	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H"	1.007276
"140944"	355.063476	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+2H"	2.014552
"579656"	532.091576	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+2H"	2.014552
"1050644"	178.035376	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2H"	2.014552
"219269"	237.044742666667	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+3H"	3.021828
"658827"	355.063476	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+3H"	3.021828
"1176581"	119.026009333333	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+3H"	3.021828
"437673"	726.146223	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+NH4"	18.033823
"800737"	1080.202423	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+NH4"	18.033823
"1694999"	372.090023	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+NH4"	18.033823
"342182"	363.5767495	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+H+NH4"	19.041099
"734602"	540.6048495	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+H+NH4"	19.041099
"1490613"	186.5486495	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H+NH4"	19.041099
"403823"	731.101618	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+Na"	22.989218
"761541"	1085.157818	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+Na"	22.989218
"1604777"	377.045418	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Na"	22.989218
"329942"	366.054447	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+H+Na"	23.996494
"713192"	543.082547	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+H+Na"	23.996494
"1473576"	189.026347	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H+Na"	23.996494
"1061354"	126.353323333333	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2H+Na"	25.00377
"1267406"	387.089686	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+CH3OH+H"	33.033486
"387075"	747.075558	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+K"	38.963158
"750258"	1101.131758	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+K"	38.963158
"1553043"	393.019358	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+K"	38.963158
"311681"	374.041417	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+H+K"	39.970434
"703009"	551.069517	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+H+K"	39.970434
"1456825"	197.013317	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H+K"	39.970434
"247613"	750.146226	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+ACN+H"	42.033826
"1224575"	396.090026	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+ACN+H"	42.033826
"1209394"	198.548651	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+ACN+2H"	43.041102
"201461"	753.08356	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+2Na-H"	44.97116
"641015"	1107.13976	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+2Na-H"	44.97116
"1142335"	399.02736	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2Na-H"	44.97116
"183438"	377.045418	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+2Na"	45.978436
"626646"	554.073518	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+2Na"	45.978436
"1122131"	200.017318	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2Na"	45.978436
"1413188"	133.680637333333	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H+2Na"	46.985712
"1444820"	401.068946	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H+HCOOH"	47.012746
"231842"	382.07844	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+3H2O+2H"	56.04448
"1519903"	415.12099	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+IsoProp+H"	61.06479
"423236"	385.032388	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+Na+K"	61.952376
"782408"	562.060488	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+Na+K"	61.952376
"1671448"	208.004288	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Na+K"	61.952376
"261246"	772.128168	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+ACN+Na"	64.015768
"1229946"	418.071968	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+ACN+Na"	64.015768
"1719559"	418.095493	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+NH4+HCOOH"	64.039293
"1182727"	141.007951333333	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+3Na"	68.967654
"1652982"	423.050888	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Na+HCOOH"	68.994688
"168234"	785.03144	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+2K-H"	76.91904
"611808"	1139.08764	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+2K-H"	76.91904
"1097779"	430.97524	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2K-H"	76.91904
"156058"	393.019358	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"2M+2K"	77.926316
"596221"	570.047458	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"3M+2K"	77.926316
"1083047"	215.991258	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2K"	77.926316
"1114674"	432.989792	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2K+H"	78.933592
"1351026"	433.077407	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+DMSO+H"	79.021207
"1021097"	437.116576	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2ACN+H"	83.060376
"1539787"	438.110208	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+IsoProp+Na+H"	84.054008
"1005422"	219.061926	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+2ACN+2H"	84.067652
"1602320"	439.024828	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+K+HCOOH"	84.968628
"1428460"	469.056338	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+H+CF3COOH"	115.000138
"1159472"	239.575201	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+3ACN+2H"	125.094202
"1712634"	486.082885	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+NH4+CF3COOH"	132.026685
"1647955"	491.03828	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+Na+CF3COOH"	136.98208
"1577046"	507.01222	"C12600"	"Phenolsulfonphthalein;Phenol red"	"C19H14O5S"	"354.0562"	"M+K+CF3COOH"	152.95602
"807411"	83.9823	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M"	0
"977663"	64.96391	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-H2O-H"	-19.01839
"63959"	54.980924	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M-3H"	-3.021828
"502880"	82.975024	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M-3H"	-3.021828
"881077"	26.986824	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-3H"	-3.021828
"625"	82.975024	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M-2H"	-2.014552
"440002"	124.966174	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M-2H"	-2.014552
"817096"	40.983874	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-2H"	-2.014552
"93880"	166.957324	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M-H"	-1.007276
"530796"	250.939624	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M-H"	-1.007276
"899850"	82.975024	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-H"	-1.007276
"54224"	183.983871	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M-2H+NH4"	16.019271
"494877"	267.966171	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M-2H+NH4"	16.019271
"869032"	100.001571	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-2H+NH4"	16.019271
"41675"	188.939266	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M-2H+Na"	20.974666
"479046"	272.921566	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M-2H+Na"	20.974666
"861226"	104.956966	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-2H+Na"	20.974666
"1626384"	104.956966	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Na-2H"	20.974666
"102914"	100.963363	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M-H+Cl"	33.962126
"549921"	142.954513	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M-H+Cl"	33.962126
"942687"	58.972213	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-H+Cl"	33.962126
"282329"	202.934002	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+Cl"	34.969402
"675115"	286.916302	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+Cl"	34.969402
"1288213"	118.951702	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Cl"	34.969402
"31099"	204.913206	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M-2H+K"	36.948606
"470579"	288.895506	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M-2H+K"	36.948606
"848424"	120.930906	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-2H+K"	36.948606
"1570444"	120.930906	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+K-2H"	36.948606
"954315"	128.980494	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-H+HCOOH"	44.998194
"375812"	212.962801	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+HCOOH-H"	44.998201
"352768"	226.978451	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+Hac-H"	59.013851
"1499777"	142.996151	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Hac-H"	59.013851
"974197"	150.962451	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-H+NaCOOH"	66.980151
"124869"	118.951702	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+2Cl"	69.938804
"563458"	160.942852	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+2Cl"	69.938804
"1035174"	76.960552	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2Cl"	69.938804
"1256209"	162.901185	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Br"	78.918885
"1319019"	164.957172	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Cl+HCOOH"	80.974872
"1334327"	186.939129	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Cl+NaCOOH"	102.956829
"925753"	196.967886	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M-H+CF3COOH"	112.985586
"1301367"	232.944564	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Cl+CF3COOH"	148.962264
"1380984"	48.969624	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H-2H2O"	-35.012676
"1394471"	66.9796	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H-H2O"	-17.0027
"296350"	168.971876	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+H"	1.007276
"687677"	252.954176	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+H"	1.007276
"1365858"	84.989576	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H"	1.007276
"140933"	84.989576	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+2H"	2.014552
"580851"	126.980726	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+2H"	2.014552
"1051478"	42.998426	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2H"	2.014552
"219740"	56.995476	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+3H"	3.021828
"658569"	84.989576	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+3H"	3.021828
"1174870"	29.001376	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+3H"	3.021828
"437783"	185.998423	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+NH4"	18.033823
"800605"	269.980723	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+NH4"	18.033823
"1695473"	102.016123	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+NH4"	18.033823
"340834"	93.5028495	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+H+NH4"	19.041099
"731432"	135.4939995	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+H+NH4"	19.041099
"1488536"	51.5116995	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H+NH4"	19.041099
"400652"	190.953818	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+Na"	22.989218
"759464"	274.936118	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+Na"	22.989218
"1605738"	106.971518	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Na"	22.989218
"329473"	95.980547	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+H+Na"	23.996494
"713302"	137.971697	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+H+Na"	23.996494
"1473686"	53.989397	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H+Na"	23.996494
"1061464"	36.32869	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2H+Na"	25.00377
"1264235"	117.015786	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+CH3OH+H"	33.033486
"383904"	206.927758	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+K"	38.963158
"748181"	290.910058	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+K"	38.963158
"1552423"	122.945458	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+K"	38.963158
"312884"	103.967517	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+H+K"	39.970434
"704211"	145.958667	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+H+K"	39.970434
"1455841"	61.976367	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H+K"	39.970434
"246629"	209.998426	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+ACN+H"	42.033826
"1221526"	126.016126	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+ACN+H"	42.033826
"1208693"	63.511701	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+ACN+2H"	43.041102
"202301"	212.93576	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+2Na-H"	44.97116
"642947"	296.91806	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+2Na-H"	44.97116
"1144631"	128.95346	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2Na-H"	44.97116
"185735"	106.971518	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+2Na"	45.978436
"627853"	148.962668	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+2Na"	45.978436
"1125521"	64.980368	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2Na"	45.978436
"1413747"	43.656004	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H+2Na"	46.985712
"1444441"	130.995046	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H+HCOOH"	47.012746
"235399"	112.00454	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+3H2O+2H"	56.04448
"1522200"	145.04709	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+IsoProp+H"	61.06479
"422861"	114.958488	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+Na+K"	61.952376
"782882"	156.949638	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+Na+K"	61.952376
"1672652"	72.967338	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Na+K"	61.952376
"261357"	231.980368	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+ACN+Na"	64.015768
"1232972"	147.998068	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+ACN+Na"	64.015768
"1720763"	148.021593	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+NH4+HCOOH"	64.039293
"1183930"	50.983318	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+3Na"	68.967654
"1654916"	152.976988	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Na+HCOOH"	68.994688
"168344"	244.88364	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+2K-H"	76.91904
"611799"	328.86594	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+2K-H"	76.91904
"1097890"	160.90134	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2K-H"	76.91904
"156861"	122.945458	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"2M+2K"	77.926316
"596700"	164.936608	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"3M+2K"	77.926316
"1084162"	80.954308	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2K"	77.926316
"1115233"	162.915892	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2K+H"	78.933592
"1350941"	163.003507	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+DMSO+H"	79.021207
"1021129"	167.042676	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2ACN+H"	83.060376
"1539834"	168.036308	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+IsoProp+Na+H"	84.054008
"1005451"	84.024976	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+2ACN+2H"	84.067652
"1602726"	168.950928	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+K+HCOOH"	84.968628
"1428201"	198.982438	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+H+CF3COOH"	115.000138
"1159582"	104.538251	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+3ACN+2H"	125.094202
"1712296"	216.008985	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+NH4+CF3COOH"	132.026685
"1646972"	220.96438	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+Na+CF3COOH"	136.98208
"1577156"	236.93832	"C12603"	"Sodium bicarbonate;Sodium hydrogencarbonate"	"NaHCO3"	"83.9823"	"M+K+CF3COOH"	152.95602
"814083"	634.2139	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M"	0
"979962"	615.19551	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-H2O-H"	-19.01839
"63828"	421.801990666667	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M-3H"	-3.021828
"503144"	633.206624	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M-3H"	-3.021828
"882287"	210.397357333333	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-3H"	-3.021828
"3046"	633.206624	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M-2H"	-2.014552
"440416"	950.313574	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M-2H"	-2.014552
"817596"	316.099674	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-2H"	-2.014552
"92807"	1267.420524	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M-H"	-1.007276
"533095"	1901.634424	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M-H"	-1.007276
"899960"	633.206624	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-H"	-1.007276
"57615"	1284.447071	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M-2H+NH4"	16.019271
"496082"	1918.660971	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M-2H+NH4"	16.019271
"866956"	650.233171	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-2H+NH4"	16.019271
"43973"	1289.402466	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M-2H+Na"	20.974666
"483532"	1923.616366	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M-2H+Na"	20.974666
"858054"	655.188566	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-2H+Na"	20.974666
"1624307"	655.188566	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Na-2H"	20.974666
"99742"	651.194963	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M-H+Cl"	33.962126
"548663"	968.301913	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M-H+Cl"	33.962126
"937193"	334.088013	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-H+Cl"	33.962126
"274656"	1303.397202	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+Cl"	34.969402
"670360"	1937.611102	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+Cl"	34.969402
"1288038"	669.183302	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Cl"	34.969402
"30437"	1305.376406	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M-2H+K"	36.948606
"471087"	1939.590306	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M-2H+K"	36.948606
"847430"	671.162506	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-2H+K"	36.948606
"1570190"	671.162506	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+K-2H"	36.948606
"951874"	679.212094	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-H+HCOOH"	44.998194
"373736"	1313.426001	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+HCOOH-H"	44.998201
"353973"	1327.441651	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+Hac-H"	59.013851
"1504629"	693.227751	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Hac-H"	59.013851
"967066"	701.194051	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-H+NaCOOH"	66.980151
"122544"	669.183302	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+2Cl"	69.938804
"564537"	986.290252	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+2Cl"	69.938804
"1035645"	352.076352	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2Cl"	69.938804
"1255952"	713.132785	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Br"	78.918885
"1318763"	715.188772	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Cl+HCOOH"	80.974872
"1334437"	737.170729	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Cl+NaCOOH"	102.956829
"925497"	747.199486	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M-H+CF3COOH"	112.985586
"1301477"	783.176164	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Cl+CF3COOH"	148.962264
"1379271"	599.201224	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H-2H2O"	-35.012676
"1393850"	617.2112	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H-H2O"	-17.0027
"294998"	1269.435076	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+H"	1.007276
"687421"	1903.648976	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+H"	1.007276
"1365230"	635.221176	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H"	1.007276
"140431"	635.221176	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+2H"	2.014552
"579140"	952.328126	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+2H"	2.014552
"1049396"	318.114226	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2H"	2.014552
"214743"	423.816542666667	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+3H"	3.021828
"652116"	635.221176	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+3H"	3.021828
"1171335"	212.411909333333	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+3H"	3.021828
"438624"	1286.461623	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+NH4"	18.033823
"799254"	1920.675523	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+NH4"	18.033823
"1694491"	652.247723	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+NH4"	18.033823
"338028"	643.7344495	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+H+NH4"	19.041099
"730451"	960.8413995	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+H+NH4"	19.041099
"1489739"	326.6274995	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H+NH4"	19.041099
"404047"	1291.417018	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+Na"	22.989218
"760667"	1925.630918	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+Na"	22.989218
"1605484"	657.203118	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Na"	22.989218
"319898"	646.212147	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+H+Na"	23.996494
"712317"	963.319097	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+H+Na"	23.996494
"1467231"	329.105197	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H+Na"	23.996494
"1059385"	219.739223333333	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2H+Na"	25.00377
"1265437"	667.247386	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+CH3OH+H"	33.033486
"385107"	1307.390958	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+K"	38.963158
"746103"	1941.604858	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+K"	38.963158
"1552533"	673.177058	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+K"	38.963158
"310803"	654.199117	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+H+K"	39.970434
"701038"	971.306067	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+H+K"	39.970434
"1452670"	337.092167	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H+K"	39.970434
"238716"	1310.461626	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+ACN+H"	42.033826
"1215071"	676.247726	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+ACN+H"	42.033826
"1202240"	338.627501	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+ACN+2H"	43.041102
"203496"	1313.39896	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+2Na-H"	44.97116
"640140"	1947.61286	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+2Na-H"	44.97116
"1142555"	679.18506	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2Na-H"	44.97116
"180378"	657.203118	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+2Na"	45.978436
"627597"	974.310068	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+2Na"	45.978436
"1123444"	340.096168	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2Na"	45.978436
"1409155"	227.066537333333	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H+2Na"	46.985712
"1440177"	681.226646	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H+HCOOH"	47.012746
"234977"	662.23614	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+3H2O+2H"	56.04448
"1521217"	695.27869	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+IsoProp+H"	61.06479
"421998"	665.190088	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+Na+K"	61.952376
"779712"	982.297038	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+Na+K"	61.952376
"1672762"	348.083138	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Na+K"	61.952376
"258186"	1332.443568	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+ACN+Na"	64.015768
"1230895"	698.229668	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+ACN+Na"	64.015768
"1718687"	698.253193	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+NH4+HCOOH"	64.039293
"1180392"	234.393851333333	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+3Na"	68.967654
"1650032"	703.208588	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Na+HCOOH"	68.994688
"164077"	1345.34684	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+2K-H"	76.91904
"612596"	1979.56074	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+2K-H"	76.91904
"1098245"	711.13294	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2K-H"	76.91904
"156764"	673.177058	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"2M+2K"	77.926316
"596857"	990.284008	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"3M+2K"	77.926316
"1083876"	356.070108	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2K"	77.926316
"1115609"	713.147492	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2K+H"	78.933592
"1351278"	713.235107	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+DMSO+H"	79.021207
"1020785"	717.274276	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2ACN+H"	83.060376
"1539750"	718.267908	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+IsoProp+Na+H"	84.054008
"1005400"	359.140776	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+2ACN+2H"	84.067652
"1602415"	719.182528	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+K+HCOOH"	84.968628
"1429047"	749.214038	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+H+CF3COOH"	115.000138
"1162489"	379.654051	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+3ACN+2H"	125.094202
"1708150"	766.240585	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+NH4+CF3COOH"	132.026685
"1642706"	771.19598	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+Na+CF3COOH"	136.98208
"1577266"	787.16992	"C12609"	"Novobiocin sodium"	"C31H35N2O11Na"	"634.2139"	"M+K+CF3COOH"	152.95602
"807631"	280.063	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M"	0
"975086"	261.04461	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-H2O-H"	-19.01839
"65030"	185.701390666667	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M-3H"	-3.021828
"503255"	279.055724	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M-3H"	-3.021828
"882397"	92.3470573333333	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-3H"	-3.021828
"1211"	279.055724	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M-2H"	-2.014552
"440399"	419.087224	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M-2H"	-2.014552
"817713"	139.024224	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-2H"	-2.014552
"92920"	559.118724	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M-H"	-1.007276
"532478"	839.181724	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M-H"	-1.007276
"905538"	279.055724	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-H"	-1.007276
"61252"	576.145271	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M-2H+NH4"	16.019271
"496192"	856.208271	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M-2H+NH4"	16.019271
"867066"	296.082271	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-2H+NH4"	16.019271
"38615"	581.100666	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M-2H+Na"	20.974666
"477081"	861.163666	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M-2H+Na"	20.974666
"858164"	301.037666	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-2H+Na"	20.974666
"1624417"	301.037666	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Na-2H"	20.974666
"96572"	297.044063	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M-H+Cl"	33.962126
"548773"	437.075563	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M-H+Cl"	33.962126
"938398"	157.012563	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-H+Cl"	33.962126
"273673"	595.095402	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+Cl"	34.969402
"669376"	875.158402	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+Cl"	34.969402
"1287864"	315.032402	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Cl"	34.969402
"30423"	597.074606	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M-2H+K"	36.948606
"470474"	877.137606	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M-2H+K"	36.948606
"848030"	317.011606	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-2H+K"	36.948606
"1569936"	317.011606	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+K-2H"	36.948606
"951984"	325.061194	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-H+HCOOH"	44.998194
"373846"	605.124201	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+HCOOH-H"	44.998201
"354083"	619.139851	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+Hac-H"	59.013851
"1504375"	339.076851	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Hac-H"	59.013851
"963896"	347.043151	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-H+NaCOOH"	66.980151
"125090"	315.032402	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+2Cl"	69.938804
"565014"	455.063902	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+2Cl"	69.938804
"1036609"	175.000902	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2Cl"	69.938804
"1255331"	358.981885	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Br"	78.918885
"1319118"	361.037872	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Cl+HCOOH"	80.974872
"1332359"	383.019829	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Cl+NaCOOH"	102.956829
"924878"	393.048586	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M-H+CF3COOH"	112.985586
"1301222"	429.025264	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Cl+CF3COOH"	148.962264
"1380474"	245.050324	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H-2H2O"	-35.012676
"1393596"	263.0603	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H-H2O"	-17.0027
"294015"	561.133276	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+H"	1.007276
"688623"	841.196276	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+H"	1.007276
"1364247"	281.070276	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H"	1.007276
"141219"	281.070276	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+2H"	2.014552
"579978"	421.101776	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+2H"	2.014552
"1051329"	141.038776	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2H"	2.014552
"214853"	187.715942666667	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+3H"	3.021828
"654413"	281.070276	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+3H"	3.021828
"1168165"	94.3616093333333	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+3H"	3.021828
"439545"	578.159823	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+NH4"	18.033823
"798638"	858.222823	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+NH4"	18.033823
"1693872"	298.096823	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+NH4"	18.033823
"334858"	289.5835495	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+H+NH4"	19.041099
"728374"	429.6150495	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+H+NH4"	19.041099
"1488757"	149.5520495	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H+NH4"	19.041099
"405250"	583.115218	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+Na"	22.989218
"764057"	863.178218	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+Na"	22.989218
"1605594"	303.052218	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Na"	22.989218
"322195"	292.061247	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+H+Na"	23.996494
"710604"	432.092747	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+H+Na"	23.996494
"1461387"	152.029747	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H+Na"	23.996494
"1053536"	101.688923333333	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2H+Na"	25.00377
"1264454"	313.096486	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+CH3OH+H"	33.033486
"384123"	599.089158	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+K"	38.963158
"745120"	879.152158	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+K"	38.963158
"1550457"	319.026158	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+K"	38.963158
"312861"	300.048217	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+H+K"	39.970434
"702972"	440.079717	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+H+K"	39.970434
"1452780"	160.016717	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H+K"	39.970434
"240288"	602.159826	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+ACN+H"	42.033826
"1214089"	322.096826	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+ACN+H"	42.033826
"1202350"	161.552051	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+ACN+2H"	43.041102
"202756"	605.09716	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+2Na-H"	44.97116
"640250"	885.16016	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+2Na-H"	44.97116
"1142665"	325.03416	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2Na-H"	44.97116
"181581"	303.052218	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+2Na"	45.978436
"624061"	443.083718	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+2Na"	45.978436
"1122461"	163.020718	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2Na"	45.978436
"1408172"	109.016237333333	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H+2Na"	46.985712
"1434820"	327.075746	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H+HCOOH"	47.012746
"232171"	308.08524	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+3H2O+2H"	56.04448
"1518046"	341.12779	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+IsoProp+H"	61.06479
"414453"	311.039188	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+Na+K"	61.952376
"774355"	451.070688	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+Na+K"	61.952376
"1668497"	171.007688	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Na+K"	61.952376
"253193"	624.141768	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+ACN+Na"	64.015768
"1228089"	344.078768	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+ACN+Na"	64.015768
"1715516"	344.102293	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+NH4+HCOOH"	64.039293
"1179772"	116.343551333333	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+3Na"	68.967654
"1651852"	349.057688	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Na+HCOOH"	68.994688
"162731"	637.04504	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+2K-H"	76.91904
"607031"	917.10804	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+2K-H"	76.91904
"1095924"	356.98204	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2K-H"	76.91904
"155660"	319.026158	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"2M+2K"	77.926316
"595101"	459.057658	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"3M+2K"	77.926316
"1083745"	178.994658	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2K"	77.926316
"1115580"	358.996592	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2K+H"	78.933592
"1351237"	359.084207	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+DMSO+H"	79.021207
"1019923"	363.123376	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2ACN+H"	83.060376
"1538409"	364.117008	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+IsoProp+Na+H"	84.054008
"1005630"	182.065326	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+2ACN+2H"	84.067652
"1601796"	365.031628	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+K+HCOOH"	84.968628
"1428913"	395.063138	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+H+CF3COOH"	115.000138
"1157615"	202.578601	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+3ACN+2H"	125.094202
"1708259"	412.089685	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+NH4+CF3COOH"	132.026685
"1639536"	417.04508	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+Na+CF3COOH"	136.98208
"1577376"	433.01902	"C12616"	"Sulfamethopyrazine;Sulfalene"	"C11H12N4O3S"	"280.063"	"M+K+CF3COOH"	152.95602
"808834"	164.0473	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M"	0
"976898"	145.02891	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-H2O-H"	-19.01839
"67326"	108.357590666667	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M-3H"	-3.021828
"505796"	163.040024	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M-3H"	-3.021828
"882138"	53.6751573333333	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-3H"	-3.021828
"1077"	163.040024	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M-2H"	-2.014552
"440146"	245.063674	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M-2H"	-2.014552
"817257"	81.016374	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-2H"	-2.014552
"93154"	327.087324	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M-H"	-1.007276
"533443"	491.134624	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M-H"	-1.007276
"910397"	163.040024	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-H"	-1.007276
"61975"	344.113871	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M-2H+NH4"	16.019271
"496302"	508.161171	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M-2H+NH4"	16.019271
"867904"	180.066571	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-2H+NH4"	16.019271
"40911"	349.069266	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M-2H+Na"	20.974666
"478648"	513.116566	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M-2H+Na"	20.974666
"859369"	185.021966	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-2H+Na"	20.974666
"1627808"	185.021966	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Na-2H"	20.974666
"99962"	181.028363	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M-H+Cl"	33.962126
"546090"	263.052013	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M-H+Cl"	33.962126
"936322"	99.004713	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-H+Cl"	33.962126
"277065"	363.064002	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+Cl"	34.969402
"666206"	527.111302	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+Cl"	34.969402
"1286397"	199.016702	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Cl"	34.969402
"28469"	365.043206	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M-2H+K"	36.948606
"469847"	529.090506	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M-2H+K"	36.948606
"846190"	200.995906	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-2H+K"	36.948606
"1570047"	200.995906	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+K-2H"	36.948606
"956834"	209.045494	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-H+HCOOH"	44.998194
"374685"	373.092801	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+HCOOH-H"	44.998201
"358567"	387.108451	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+Hac-H"	59.013851
"1506306"	223.061151	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Hac-H"	59.013851
"971298"	231.027451	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-H+NaCOOH"	66.980151
"124232"	199.016702	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+2Cl"	69.938804
"564154"	281.040352	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+2Cl"	69.938804
"1035141"	116.993052	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2Cl"	69.938804
"1255809"	242.966185	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Br"	78.918885
"1317162"	245.022172	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Cl+HCOOH"	80.974872
"1334662"	267.004129	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Cl+NaCOOH"	102.956829
"923895"	277.032886	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M-H+CF3COOH"	112.985586
"1302062"	313.009564	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Cl+CF3COOH"	148.962264
"1380225"	129.034624	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H-2H2O"	-35.012676
"1396872"	147.0446	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H-H2O"	-17.0027
"294490"	329.101876	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+H"	1.007276
"689467"	493.149176	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+H"	1.007276
"1363628"	165.054576	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H"	1.007276
"140897"	165.054576	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+2H"	2.014552
"579359"	247.078226	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+2H"	2.014552
"1050355"	83.030926	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2H"	2.014552
"215330"	110.372142666667	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+3H"	3.021828
"655617"	165.054576	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+3H"	3.021828
"1168275"	55.6897093333333	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+3H"	3.021828
"438850"	346.128423	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+NH4"	18.033823
"799840"	510.175723	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+NH4"	18.033823
"1688879"	182.081123	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+NH4"	18.033823
"340436"	173.5678495	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+H+NH4"	19.041099
"728484"	255.5914995	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+H+NH4"	19.041099
"1488867"	91.5441995	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H+NH4"	19.041099
"403173"	351.083818	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+Na"	22.989218
"764167"	515.131118	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+Na"	22.989218
"1605704"	187.036518	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Na"	22.989218
"322305"	176.045547	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+H+Na"	23.996494
"710350"	258.069197	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+H+Na"	23.996494
"1461976"	94.021897	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H+Na"	23.996494
"1053403"	63.0170233333333	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2H+Na"	25.00377
"1265657"	197.080786	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+CH3OH+H"	33.033486
"384233"	367.057758	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+K"	38.963158
"745230"	531.105058	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+K"	38.963158
"1551660"	203.010458	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+K"	38.963158
"313821"	184.032517	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+H+K"	39.970434
"703082"	266.056167	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+H+K"	39.970434
"1452890"	102.008867	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H+K"	39.970434
"241491"	370.128426	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+ACN+H"	42.033826
"1215292"	206.081126	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+ACN+H"	42.033826
"1202460"	103.544201	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+ACN+2H"	43.041102
"200800"	373.06576	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+2Na-H"	44.97116
"639995"	537.11306	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+2Na-H"	44.97116
"1143868"	209.01846	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2Na-H"	44.97116
"182784"	187.036518	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+2Na"	45.978436
"624900"	269.060168	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+2Na"	45.978436
"1122571"	105.012868	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2Na"	45.978436
"1408282"	70.3443373333333	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H+2Na"	46.985712
"1434930"	211.060046	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H+HCOOH"	47.012746
"223531"	192.06954	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+3H2O+2H"	56.04448
"1512687"	225.11209	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+IsoProp+H"	61.06479
"414558"	195.023488	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+Na+K"	61.952376
"773371"	277.047138	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+Na+K"	61.952376
"1669701"	112.999838	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Na+K"	61.952376
"254395"	392.110368	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+ACN+Na"	64.015768
"1228563"	228.063068	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+ACN+Na"	64.015768
"1715259"	228.086593	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+NH4+HCOOH"	64.039293
"1179879"	77.6716513333333	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+3Na"	68.967654
"1651591"	233.041988	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Na+HCOOH"	68.994688
"163206"	405.01364	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+2K-H"	76.91904
"607141"	569.06094	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+2K-H"	76.91904
"1094941"	240.96634	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2K-H"	76.91904
"156786"	203.010458	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"2M+2K"	77.926316
"596792"	285.034108	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"3M+2K"	77.926316
"1083610"	120.986808	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2K"	77.926316
"1115244"	242.980892	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2K+H"	78.933592
"1350896"	243.068507	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+DMSO+H"	79.021207
"1020154"	247.107676	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2ACN+H"	83.060376
"1538035"	248.101308	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+IsoProp+Na+H"	84.054008
"1005457"	124.057476	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+2ACN+2H"	84.067652
"1601661"	249.015928	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+K+HCOOH"	84.968628
"1428901"	279.047438	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+H+CF3COOH"	115.000138
"1158818"	144.570751	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+3ACN+2H"	125.094202
"1708369"	296.073985	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+NH4+CF3COOH"	132.026685
"1639646"	301.02938	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+Na+CF3COOH"	136.98208
"1577486"	317.00332	"C12621"	"trans-3-Hydroxycinnamate;(2E)-3-(3-Hydroxyphenyl)prop-2-enoate"	"C9H8O3"	"164.0473"	"M+K+CF3COOH"	152.95602
"813684"	182.0579	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M"	0
"979196"	163.03951	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"67438"	120.364657333333	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"503121"	181.050624	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"880548"	59.6786906666667	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"580"	181.050624	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"440082"	272.079574	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"817817"	90.021674	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"93384"	363.108524	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"534191"	545.166424	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"910863"	181.050624	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"61956"	380.135071	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"501514"	562.192971	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"868379"	198.077171	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"41021"	385.090466	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"474747"	567.148366	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"861665"	203.032566	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1626825"	203.032566	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"97885"	199.038963	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"549604"	290.067913	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"939712"	108.010013	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"277175"	399.085202	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"666316"	581.143102	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1286383"	217.027302	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"29914"	401.064406	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"469591"	583.122306	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"845936"	219.006506	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1570764"	219.006506	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"957308"	227.056094	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"374794"	409.114001	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"358677"	423.129651	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1499855"	241.071751	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"972508"	249.038051	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"124829"	217.027302	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"564629"	308.056252	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1036226"	125.998352	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1256164"	260.976785	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1317272"	263.032772	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1334528"	285.014729	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"926316"	295.043486	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1303682"	331.020164	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1382409"	147.045224	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1394186"	165.0552	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"294236"	365.123076	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"689576"	547.180976	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1363738"	183.065176	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"141274"	183.065176	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"581058"	274.094126	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1052531"	92.036226	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"217263"	122.379209333333	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"656093"	183.065176	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1171665"	61.6932426666667	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"437494"	382.149623	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"801362"	564.207523	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1688989"	200.091723	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"341275"	191.5784495	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"728594"	282.6073995	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1488976"	100.5494995	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"403283"	387.105018	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"765370"	569.162918	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1605085"	205.047118	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"325695"	194.056147	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"712647"	285.085097	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1462085"	103.027197	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1053634"	69.0205566666667	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1264674"	215.091386	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"383250"	403.078958	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"745340"	585.136858	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1552863"	221.021058	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"312228"	202.043117	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"705744"	293.072067	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1459561"	111.014167	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"241601"	406.149626	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1214673"	224.091726	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1203663"	112.549501	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"202003"	409.08696	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"639376"	591.14486	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1146165"	227.02906	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"183986"	205.047118	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"623549"	296.076068	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1123774"	114.018168	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1407297"	76.3478706666667	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1438319"	229.070646	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"224733"	210.08014	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1513889"	243.12269	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"411752"	213.034088	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"775667"	304.063038	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1669810"	122.005138	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"252559"	428.131568	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1228309"	246.073668	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1715006"	246.097193	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1182548"	83.6751846666667	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1650370"	251.052588	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"162223"	441.03484	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"606159"	623.09274	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1097237"	258.97694	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"156245"	221.021058	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"596540"	312.050008	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1083720"	129.992108	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1115112"	260.991492	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1350769"	261.079107	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1020996"	265.118276	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1538750"	266.111908	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"1004836"	133.062776	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1602137"	267.026528	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1429740"	297.058038	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1161117"	153.576051	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1711760"	314.084585	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1639756"	319.03998	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1577596"	335.01392	"C12622"	"cis-3-(3-Carboxyethenyl)-35-cyclohexadiene-12-diol;(2E)-3-(cis-56-Dihydroxycyclohexa-13-dien-1-yl)prop-2-enoate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"807961"	180.0423	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M"	0
"976026"	161.02391	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H2O-H"	-19.01839
"67547"	119.020924	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-3H"	-3.021828
"503823"	179.035024	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-3H"	-3.021828
"880534"	59.006824	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-3H"	-3.021828
"1294"	179.035024	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H"	-2.014552
"440281"	269.056174	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H"	-2.014552
"817559"	89.013874	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H"	-2.014552
"92884"	359.077324	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-H"	-1.007276
"534204"	539.119624	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-H"	-1.007276
"908056"	179.035024	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H"	-1.007276
"60972"	376.103871	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H+NH4"	16.019271
"499438"	556.146171	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H+NH4"	16.019271
"869948"	196.061571	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H+NH4"	16.019271
"38945"	381.059266	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H+Na"	20.974666
"475951"	561.101566	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H+Na"	20.974666
"857403"	201.016966	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H+Na"	20.974666
"1625842"	201.016966	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na-2H"	20.974666
"95564"	197.023363	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-H+Cl"	33.962126
"547400"	287.044513	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-H+Cl"	33.962126
"939822"	107.002213	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+Cl"	33.962126
"275099"	395.054002	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Cl"	34.969402
"666426"	575.096302	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+Cl"	34.969402
"1283212"	215.011702	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl"	34.969402
"29780"	397.033206	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M-2H+K"	36.948606
"468244"	577.075506	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M-2H+K"	36.948606
"845317"	216.990906	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-2H+K"	36.948606
"1570510"	216.990906	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K-2H"	36.948606
"957986"	225.040494	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+HCOOH"	44.998194
"374903"	405.082801	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+HCOOH-H"	44.998201
"358787"	419.098451	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Hac-H"	59.013851
"1499965"	239.056151	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Hac-H"	59.013851
"972982"	247.022451	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+NaCOOH"	66.980151
"122625"	215.011702	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2Cl"	69.938804
"564008"	305.032852	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2Cl"	69.938804
"1036861"	124.990552	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2Cl"	69.938804
"1254935"	258.961185	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Br"	78.918885
"1316287"	261.017172	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl+HCOOH"	80.974872
"1333057"	282.999129	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl+NaCOOH"	102.956829
"921926"	293.027886	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M-H+CF3COOH"	112.985586
"1303870"	329.004564	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Cl+CF3COOH"	148.962264
"1382396"	145.029624	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H-2H2O"	-35.012676
"1396118"	163.0396	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H-H2O"	-17.0027
"292886"	361.091876	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H"	1.007276
"690659"	541.134176	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H"	1.007276
"1365792"	181.049576	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H"	1.007276
"141353"	181.049576	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2H"	2.014552
"581220"	271.070726	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2H"	2.014552
"1048741"	91.028426	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2H"	2.014552
"215182"	121.035476	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+3H"	3.021828
"647087"	181.049576	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+3H"	3.021828
"1171775"	61.021376	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+3H"	3.021828
"438697"	378.118423	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+NH4"	18.033823
"798235"	558.160723	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+NH4"	18.033823
"1692379"	198.076123	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+NH4"	18.033823
"340657"	189.5628495	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H+NH4"	19.041099
"728704"	279.5839995	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H+NH4"	19.041099
"1487992"	99.5416995	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+NH4"	19.041099
"403393"	383.073818	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Na"	22.989218
"765480"	563.116118	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+Na"	22.989218
"1605924"	203.031518	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na"	22.989218
"323618"	192.040547	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H+Na"	23.996494
"712757"	282.061697	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H+Na"	23.996494
"1461835"	102.019397	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+Na"	23.996494
"1053864"	68.34869	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2H+Na"	25.00377
"1260404"	213.075786	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+CH3OH+H"	33.033486
"380808"	399.047758	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+K"	38.963158
"740345"	579.090058	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+K"	38.963158
"1548600"	219.005458	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K"	38.963158
"311244"	200.027517	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+H+K"	39.970434
"704761"	290.048667	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+H+K"	39.970434
"1456391"	110.006367	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+K"	39.970434
"240618"	402.118426	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+ACN+H"	42.033826
"1214419"	222.076126	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+ACN+H"	42.033826
"1200493"	111.541701	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+ACN+2H"	43.041102
"193365"	405.05576	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2Na-H"	44.97116
"634019"	585.09806	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2Na-H"	44.97116
"1144087"	225.01346	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2Na-H"	44.97116
"181910"	203.031518	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2Na"	45.978436
"621470"	293.052668	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2Na"	45.978436
"1121695"	113.010368	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2Na"	45.978436
"1398472"	75.676004	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+2Na"	46.985712
"1430206"	227.055046	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+HCOOH"	47.012746
"221926"	208.06454	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+3H2O+2H"	56.04448
"1509380"	241.10709	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+IsoProp+H"	61.06479
"408941"	211.018488	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+Na+K"	61.952376
"771401"	301.039638	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+Na+K"	61.952376
"1668096"	120.997338	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na+K"	61.952376
"252549"	424.100368	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+ACN+Na"	64.015768
"1228051"	244.058068	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+ACN+Na"	64.015768
"1715845"	244.081593	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+NH4+HCOOH"	64.039293
"1181199"	83.003318	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+3Na"	68.967654
"1651086"	249.036988	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na+HCOOH"	68.994688
"163426"	437.00364	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2K-H"	76.91904
"607362"	617.04594	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2K-H"	76.91904
"1096254"	256.96134	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2K-H"	76.91904
"156352"	219.005458	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"2M+2K"	77.926316
"595911"	309.026608	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"3M+2K"	77.926316
"1083709"	128.984308	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2K"	77.926316
"1115587"	258.975892	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2K+H"	78.933592
"1350880"	259.063507	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+DMSO+H"	79.021207
"1021189"	263.102676	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2ACN+H"	83.060376
"1539349"	264.096308	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+IsoProp+Na+H"	84.054008
"1005067"	132.054976	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+2ACN+2H"	84.067652
"1601517"	265.010928	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K+HCOOH"	84.968628
"1429244"	295.042438	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+H+CF3COOH"	115.000138
"1160134"	152.568251	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+3ACN+2H"	125.094202
"1710777"	312.068985	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+NH4+CF3COOH"	132.026685
"1639866"	317.02438	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+Na+CF3COOH"	136.98208
"1577706"	332.99832	"C12623"	"trans-23-Dihydroxycinnamate;(2E)-3-(23-Dihydroxyphenyl)prop-2-enoate"	"C9H8O4"	"180.0423"	"M+K+CF3COOH"	152.95602
"808071"	212.0321	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M"	0
"978323"	193.01371	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-H2O-H"	-19.01839
"70938"	140.347457333333	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M-3H"	-3.021828
"506123"	211.024824	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M-3H"	-3.021828
"882831"	69.6700906666667	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-3H"	-3.021828
"1406"	211.024824	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M-2H"	-2.014552
"440603"	317.040874	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M-2H"	-2.014552
"818767"	105.008774	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-2H"	-2.014552
"93927"	423.056924	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M-H"	-1.007276
"532920"	635.089024	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M-H"	-1.007276
"909268"	211.024824	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-H"	-1.007276
"62183"	440.083471	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M-2H+NH4"	16.019271
"498455"	652.115571	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M-2H+NH4"	16.019271
"873338"	228.051371	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-2H+NH4"	16.019271
"38691"	445.038866	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M-2H+Na"	20.974666
"478613"	657.070966	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M-2H+Na"	20.974666
"858606"	233.006766	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-2H+Na"	20.974666
"1624859"	233.006766	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Na-2H"	20.974666
"98106"	229.013163	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M-H+Cl"	33.962126
"547510"	335.029213	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M-H+Cl"	33.962126
"933373"	122.997113	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-H+Cl"	33.962126
"273022"	459.033602	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+Cl"	34.969402
"666536"	671.065702	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+Cl"	34.969402
"1286238"	247.001502	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Cl"	34.969402
"29890"	461.012806	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M-2H+K"	36.948606
"470744"	673.044906	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M-2H+K"	36.948606
"845427"	248.980706	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-2H+K"	36.948606
"1570943"	248.980706	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+K-2H"	36.948606
"955705"	257.030294	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-H+HCOOH"	44.998194
"371733"	469.062401	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+HCOOH-H"	44.998201
"357804"	483.078051	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+Hac-H"	59.013851
"1501168"	271.045951	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Hac-H"	59.013851
"970899"	279.012251	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-H+NaCOOH"	66.980151
"122735"	247.001502	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+2Cl"	69.938804
"563753"	353.017552	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+2Cl"	69.938804
"1033643"	140.985452	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2Cl"	69.938804
"1254311"	290.950985	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Br"	78.918885
"1311290"	293.006972	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Cl+HCOOH"	80.974872
"1334261"	314.988929	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Cl+NaCOOH"	102.956829
"918756"	325.017686	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M-H+CF3COOH"	112.985586
"1302760"	360.994364	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Cl+CF3COOH"	148.962264
"1382014"	177.019424	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H-2H2O"	-35.012676
"1393311"	195.0294	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H-H2O"	-17.0027
"290810"	425.071476	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+H"	1.007276
"690283"	637.103576	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+H"	1.007276
"1365415"	213.039376	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H"	1.007276
"140255"	213.039376	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+2H"	2.014552
"578964"	319.055426	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+2H"	2.014552
"1048487"	107.023326	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2H"	2.014552
"215292"	142.362009333333	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+3H"	3.021828
"647197"	213.039376	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+3H"	3.021828
"1174072"	71.6846426666667	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+3H"	3.021828
"435161"	442.098023	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+NH4"	18.033823
"796159"	654.130123	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+NH4"	18.033823
"1689209"	230.065923	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+NH4"	18.033823
"339674"	221.5526495	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+H+NH4"	19.041099
"728814"	327.5686995	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+H+NH4"	19.041099
"1487009"	115.5365995	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H+NH4"	19.041099
"403503"	447.053418	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+Na"	22.989218
"762310"	659.085518	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+Na"	22.989218
"1603076"	235.021318	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Na"	22.989218
"322634"	224.030347	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+H+Na"	23.996494
"708250"	330.046397	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+H+Na"	23.996494
"1463404"	118.014297	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H+Na"	23.996494
"1054461"	79.0119566666667	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2H+Na"	25.00377
"1261607"	245.065586	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+CH3OH+H"	33.033486
"379096"	463.027358	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+K"	38.963158
"738671"	675.059458	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+K"	38.963158
"1543242"	250.995258	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+K"	38.963158
"308073"	232.017317	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+H+K"	39.970434
"704507"	338.033367	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+H+K"	39.970434
"1454315"	126.001267	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H+K"	39.970434
"240728"	466.098026	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+ACN+H"	42.033826
"1213436"	254.065926	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+ACN+H"	42.033826
"1203884"	127.536601	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+ACN+2H"	43.041102
"193475"	469.03536	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+2Na-H"	44.97116
"634129"	681.06746	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+2Na-H"	44.97116
"1142011"	257.00326	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2Na-H"	44.97116
"183116"	235.021318	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+2Na"	45.978436
"618300"	341.037368	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+2Na"	45.978436
"1120714"	129.005268	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2Na"	45.978436
"1399497"	86.3392706666667	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H+2Na"	46.985712
"1431247"	259.044846	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H+HCOOH"	47.012746
"221671"	240.05434	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+3H2O+2H"	56.04448
"1508753"	273.09689	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+IsoProp+H"	61.06479
"409419"	243.008288	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+Na+K"	61.952376
"770090"	349.024338	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+Na+K"	61.952376
"1665651"	136.992238	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Na+K"	61.952376
"252091"	488.079968	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+ACN+Na"	64.015768
"1228161"	276.047868	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+ACN+Na"	64.015768
"1715589"	276.071393	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+NH4+HCOOH"	64.039293
"1180215"	93.6665846666667	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+3Na"	68.967654
"1651930"	281.026788	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Na+HCOOH"	68.994688
"163536"	500.98324	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+2K-H"	76.91904
"607472"	713.01534	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+2K-H"	76.91904
"1098552"	288.95114	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2K-H"	76.91904
"153181"	250.995258	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"2M+2K"	77.926316
"590554"	357.011308	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"3M+2K"	77.926316
"1084021"	144.979208	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2K"	77.926316
"1115531"	290.965692	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2K+H"	78.933592
"1351068"	291.053307	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+DMSO+H"	79.021207
"1021138"	295.092476	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2ACN+H"	83.060376
"1539540"	296.086108	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+IsoProp+Na+H"	84.054008
"1005298"	148.049876	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+2ACN+2H"	84.067652
"1601384"	297.000728	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+K+HCOOH"	84.968628
"1429110"	327.032238	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+H+CF3COOH"	115.000138
"1159153"	168.563151	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+3ACN+2H"	125.094202
"1709795"	344.058785	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+NH4+CF3COOH"	132.026685
"1646537"	349.01418	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+Na+CF3COOH"	136.98208
"1577816"	364.98812	"C12624"	"2-Hydroxy-6-ketononatrienedioate;(2Z4E7E)-2-Hydroxy-6-oxonona-247-triene-19-dioate"	"C9H8O6"	"212.0321"	"M+K+CF3COOH"	152.95602
"808181"	532.1217	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M"	0
"978433"	513.10331	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-H2O-H"	-19.01839
"73235"	353.740524	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M-3H"	-3.021828
"505140"	531.114424	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M-3H"	-3.021828
"881847"	176.366624	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-3H"	-3.021828
"4797"	531.114424	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H"	-2.014552
"441560"	797.175274	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H"	-2.014552
"818145"	265.053574	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H"	-2.014552
"92374"	1063.236124	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M-H"	-1.007276
"528285"	1595.357824	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M-H"	-1.007276
"904992"	531.114424	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-H"	-1.007276
"61192"	1080.262671	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H+NH4"	16.019271
"497834"	1612.384371	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H+NH4"	16.019271
"869438"	548.140971	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H+NH4"	16.019271
"39894"	1085.218066	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H+Na"	20.974666
"478723"	1617.339766	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H+Na"	20.974666
"856525"	553.096366	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H+Na"	20.974666
"1622044"	553.096366	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na-2H"	20.974666
"97482"	549.102763	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M-H+Cl"	33.962126
"544340"	815.163613	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M-H+Cl"	33.962126
"933483"	283.041913	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+Cl"	33.962126
"273132"	1099.212802	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Cl"	34.969402
"664460"	1631.334502	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+Cl"	34.969402
"1285613"	567.091102	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl"	34.969402
"27079"	1101.192006	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H+K"	36.948606
"469928"	1633.313706	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H+K"	36.948606
"846632"	569.070306	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H+K"	36.948606
"1569393"	569.070306	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+K-2H"	36.948606
"954722"	577.119894	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+HCOOH"	44.998194
"372936"	1109.241601	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+HCOOH-H"	44.998201
"356821"	1123.257251	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Hac-H"	59.013851
"1501278"	591.135551	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Hac-H"	59.013851
"971009"	599.101851	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+NaCOOH"	66.980151
"122114"	567.091102	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2Cl"	69.938804
"562403"	833.151952	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2Cl"	69.938804
"1031929"	301.030252	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2Cl"	69.938804
"1253329"	611.040585	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Br"	78.918885
"1315774"	613.096572	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl+HCOOH"	80.974872
"1334371"	635.078529	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl+NaCOOH"	102.956829
"918866"	645.107286	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+CF3COOH"	112.985586
"1303598"	681.083964	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl+CF3COOH"	148.962264
"1382367"	497.109024	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H-2H2O"	-35.012676
"1394514"	515.119	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H-H2O"	-17.0027
"290919"	1065.250676	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H"	1.007276
"689908"	1597.372376	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H"	1.007276
"1365525"	533.128976	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H"	1.007276
"137686"	533.128976	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2H"	2.014552
"575424"	799.189826	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2H"	2.014552
"1048231"	267.068126	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2H"	2.014552
"215402"	355.755076	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+3H"	3.021828
"655690"	533.128976	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+3H"	3.021828
"1174547"	178.381176	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+3H"	3.021828
"436000"	1082.277223	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+NH4"	18.033823
"796269"	1614.398923	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+NH4"	18.033823
"1686038"	550.155523	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+NH4"	18.033823
"337595"	541.6422495	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H+NH4"	19.041099
"728922"	807.7030995	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H+NH4"	19.041099
"1490034"	275.5813995	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+NH4"	19.041099
"403613"	1087.232618	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Na"	22.989218
"764607"	1619.354318	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+Na"	22.989218
"1608331"	555.110918	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na"	22.989218
"322744"	544.119947	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H+Na"	23.996494
"710791"	810.180797	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H+Na"	23.996494
"1463879"	278.059097	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+Na"	23.996494
"1056028"	185.70849	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2H+Na"	25.00377
"1261717"	565.155186	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+CH3OH+H"	33.033486
"378479"	1103.206558	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+K"	38.963158
"739837"	1635.328258	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+K"	38.963158
"1543352"	571.084858	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+K"	38.963158
"309276"	552.106917	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H+K"	39.970434
"702431"	818.167767	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H+K"	39.970434
"1458434"	286.046067	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+K"	39.970434
"243025"	1106.277226	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+ACN+H"	42.033826
"1214639"	574.155526	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+ACN+H"	42.033826
"1203996"	287.581401	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+ACN+2H"	43.041102
"196865"	1109.21456	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2Na-H"	44.97116
"634238"	1641.33626	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2Na-H"	44.97116
"1141030"	577.09286	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2Na-H"	44.97116
"182133"	555.110918	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2Na"	45.978436
"621690"	821.171768	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2Na"	45.978436
"1121917"	289.050068	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2Na"	45.978436
"1404346"	193.035804	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+2Na"	46.985712
"1437554"	579.134446	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+HCOOH"	47.012746
"220048"	560.14394	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+3H2O+2H"	56.04448
"1508871"	593.18649	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+IsoProp+H"	61.06479
"409083"	563.097888	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Na+K"	61.952376
"770158"	829.158738	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+Na+K"	61.952376
"1665799"	297.037038	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na+K"	61.952376
"252767"	1128.259168	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+ACN+Na"	64.015768
"1228273"	596.137468	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+ACN+Na"	64.015768
"1713876"	596.160993	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+NH4+HCOOH"	64.039293
"1179956"	200.363118	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+3Na"	68.967654
"1650173"	601.116388	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na+HCOOH"	68.994688
"165833"	1141.16244	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2K-H"	76.91904
"609769"	1673.28414	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2K-H"	76.91904
"1098662"	609.04074	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2K-H"	76.91904
"156820"	571.084858	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2K"	77.926316
"593944"	837.145708	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2K"	77.926316
"1082588"	305.024008	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2K"	77.926316
"1114710"	611.055292	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2K+H"	78.933592
"1350932"	611.142907	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+DMSO+H"	79.021207
"1020833"	615.182076	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2ACN+H"	83.060376
"1537618"	616.175708	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+IsoProp+Na+H"	84.054008
"1005169"	308.094676	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+2ACN+2H"	84.067652
"1600402"	617.090328	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+K+HCOOH"	84.968628
"1427155"	647.121838	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+CF3COOH"	115.000138
"1161449"	328.607951	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+3ACN+2H"	125.094202
"1712092"	664.148385	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+NH4+CF3COOH"	132.026685
"1646283"	669.10378	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na+CF3COOH"	136.98208
"1577926"	685.07772	"C12625"	"Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);Biochanin A 7-O-beta-D-glucoside 6-O-malonate"	"C25H24O13"	"532.1217"	"M+K+CF3COOH"	152.95602
"811571"	448.1006	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M"	0
"981823"	429.08221	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"73346"	297.726457333333	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"505252"	447.093324	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"885239"	148.359590666667	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"8187"	447.093324	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"446654"	671.143624	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"818989"	223.043024	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"91026"	895.193924	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"531676"	1343.294524	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"904008"	447.093324	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"54008"	912.220471	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"493567"	1360.321071	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"870274"	464.119871	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"37083"	917.175866	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"477738"	1365.276466	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"854448"	469.075266	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1622518"	469.075266	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"97227"	465.081663	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"537880"	689.131963	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"938693"	241.031363	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"278341"	931.170602	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"668940"	1379.271202	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1275877"	483.070002	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"26090"	933.149806	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"470772"	1381.250406	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"847473"	485.049206	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1569868"	485.049206	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"957018"	493.098794	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"374139"	941.199401	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"353649"	955.215051	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1501388"	507.114451	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"973433"	515.080751	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"124050"	483.070002	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"563610"	707.120302	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1034592"	259.019702	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1253803"	527.019485	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1315885"	529.075472	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1333023"	551.057429	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"920069"	561.086186	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1302979"	597.062864	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1382477"	413.087924	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1394260"	431.0979	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"291029"	897.208476	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"688556"	1345.309076	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1362717"	449.107876	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"140592"	449.107876	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"575168"	673.158176	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1050163"	225.057576	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"215148"	299.741009333333	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"652520"	449.107876	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1175021"	150.374142666667	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"437935"	914.235023	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"797473"	1362.335623	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1691615"	466.134423	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"338798"	457.6211495	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"723928"	681.6714495	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1491237"	233.5708495	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"403723"	919.190418	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"765810"	1367.291018	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1608441"	471.089818	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"317385"	460.098847	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"711994"	684.149147	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1465811"	236.048547	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1053586"	157.701456666667	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1261827"	481.134086	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"382597"	935.164358	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"742498"	1383.264958	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1543462"	487.063758	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"309386"	468.085817	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"701811"	692.136117	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1457815"	244.035517	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"244228"	938.235026	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1215842"	490.134426	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1204839"	245.570851	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"199893"	941.17236	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"633256"	1389.27296	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1141136"	493.07176	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"183336"	471.089818	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"623989"	695.140118	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1128226"	247.039518	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1407740"	165.028770666667	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1439852"	495.113346	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"224080"	476.12284	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1514330"	509.16539	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"411829"	479.076788	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"771732"	703.127088	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1665831"	255.026488	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"253490"	960.216968	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1230570"	512.116368	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1715084"	512.139893	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1183717"	172.356084666667	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1653609"	517.095288	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"168129"	973.12024	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"610852"	1421.22084	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1098772"	525.01964	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"156445"	487.063758	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"594054"	711.114058	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1081847"	263.013458	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1114212"	527.034192	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1350841"	527.121807	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1020822"	531.160976	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1536999"	532.154608	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"1001263"	266.084126	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1601235"	533.069228	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1426892"	563.100738	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1160464"	286.597401	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1712202"	580.127285	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1643477"	585.08268	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1578036"	601.05662	"C12626"	"Kaempferol-3-O-galactoside;Kaempferol 3-O-beta-D-galactoside;Trifolin"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"808401"	578.1636	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M"	0
"978653"	559.14521	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-H2O-H"	-19.01839
"73457"	384.435124	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M-3H"	-3.021828
"505361"	577.156324	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M-3H"	-3.021828
"884255"	191.713924	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-3H"	-3.021828
"2095"	577.156324	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M-2H"	-2.014552
"441659"	866.238124	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M-2H"	-2.014552
"818729"	288.074524	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-2H"	-2.014552
"93080"	1155.319924	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M-H"	-1.007276
"532273"	1733.483524	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M-H"	-1.007276
"904118"	577.156324	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-H"	-1.007276
"55211"	1172.346471	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M-2H+NH4"	16.019271
"495863"	1750.510071	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M-2H+NH4"	16.019271
"869291"	594.182871	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-2H+NH4"	16.019271
"39382"	1177.301866	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M-2H+Na"	20.974666
"482223"	1755.465466	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M-2H+Na"	20.974666
"856746"	599.138266	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-2H+Na"	20.974666
"1626277"	599.138266	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Na-2H"	20.974666
"97337"	595.144663	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M-H+Cl"	33.962126
"537989"	884.226463	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M-H+Cl"	33.962126
"940625"	306.062863	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-H+Cl"	33.962126
"275536"	1191.296602	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+Cl"	34.969402
"669050"	1769.460202	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+Cl"	34.969402
"1278173"	613.133002	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Cl"	34.969402
"26200"	1193.275806	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M-2H+K"	36.948606
"471003"	1771.439406	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M-2H+K"	36.948606
"847947"	615.112206	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-2H+K"	36.948606
"1569250"	615.112206	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+K-2H"	36.948606
"956403"	623.161794	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-H+HCOOH"	44.998194
"374251"	1201.325401	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+HCOOH-H"	44.998201
"358134"	1215.341051	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+Hac-H"	59.013851
"1506241"	637.177451	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Hac-H"	59.013851
"971229"	645.143751	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-H+NaCOOH"	66.980151
"124889"	613.133002	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+2Cl"	69.938804
"565057"	902.214802	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+2Cl"	69.938804
"1035430"	324.051202	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2Cl"	69.938804
"1252453"	657.082485	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Br"	78.918885
"1315995"	659.138472	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Cl+HCOOH"	80.974872
"1326931"	681.120429	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Cl+NaCOOH"	102.956829
"921272"	691.149186	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M-H+CF3COOH"	112.985586
"1304141"	727.125864	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Cl+CF3COOH"	148.962264
"1382631"	543.150924	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H-2H2O"	-35.012676
"1393641"	561.1609	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H-H2O"	-17.0027
"292232"	1157.334476	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+H"	1.007276
"689759"	1735.498076	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+H"	1.007276
"1363191"	579.170876	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H"	1.007276
"140458"	579.170876	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+2H"	2.014552
"574549"	868.252676	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+2H"	2.014552
"1045169"	290.089076	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2H"	2.014552
"209061"	386.449676	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+3H"	3.021828
"651901"	579.170876	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+3H"	3.021828
"1172214"	193.728476	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+3H"	3.021828
"433306"	1174.361023	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+NH4"	18.033823
"796488"	1752.524623	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+NH4"	18.033823
"1686258"	596.197423	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+NH4"	18.033823
"335628"	587.6841495	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+H+NH4"	19.041099
"725496"	876.7659495	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+H+NH4"	19.041099
"1479313"	298.6023495	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H+NH4"	19.041099
"400549"	1179.316418	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+Na"	22.989218
"762640"	1757.480018	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+Na"	22.989218
"1609644"	601.152818	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Na"	22.989218
"320774"	590.161847	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+H+Na"	23.996494
"713197"	879.243647	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+H+Na"	23.996494
"1465921"	301.080047	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H+Na"	23.996494
"1054791"	201.05579	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2H+Na"	25.00377
"1261937"	611.197086	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+CH3OH+H"	33.033486
"383800"	1195.290358	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+K"	38.963158
"743701"	1773.453958	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+K"	38.963158
"1544658"	617.126758	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+K"	38.963158
"302927"	598.148817	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+H+K"	39.970434
"705566"	887.230617	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+H+K"	39.970434
"1453550"	309.067017	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H+K"	39.970434
"245431"	1198.361026	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+ACN+H"	42.033826
"1218138"	620.197426	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+ACN+H"	42.033826
"1205677"	310.602351	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+ACN+2H"	43.041102
"198180"	1201.29836	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+2Na-H"	44.97116
"635552"	1779.46196	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+2Na-H"	44.97116
"1141246"	623.13476	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2Na-H"	44.97116
"183446"	601.152818	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+2Na"	45.978436
"624828"	890.234618	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+2Na"	45.978436
"1128700"	312.071018	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2Na"	45.978436
"1408943"	208.383104	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H+2Na"	46.985712
"1439962"	625.176346	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H+HCOOH"	47.012746
"225283"	606.18584	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+3H2O+2H"	56.04448
"1514440"	639.22839	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+IsoProp+H"	61.06479
"411939"	609.139788	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+Na+K"	61.952376
"771839"	898.221588	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+Na+K"	61.952376
"1667198"	320.057988	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Na+K"	61.952376
"253600"	1220.342968	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+ACN+Na"	64.015768
"1232866"	642.179368	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+ACN+Na"	64.015768
"1718473"	642.202893	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+NH4+HCOOH"	64.039293
"1183826"	215.710418	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+3Na"	68.967654
"1653719"	647.158288	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Na+HCOOH"	68.994688
"168239"	1233.24624	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+2K-H"	76.91904
"610962"	1811.40984	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+2K-H"	76.91904
"1098882"	655.08264	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2K-H"	76.91904
"155825"	617.126758	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"2M+2K"	77.926316
"594164"	906.208558	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"3M+2K"	77.926316
"1083416"	328.044958	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2K"	77.926316
"1114081"	657.097192	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2K+H"	78.933592
"1350221"	657.184807	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+DMSO+H"	79.021207
"1020569"	661.223976	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2ACN+H"	83.060376
"1537109"	662.217608	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+IsoProp+Na+H"	84.054008
"1003195"	331.115626	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+2ACN+2H"	84.067652
"1599156"	663.132228	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+K+HCOOH"	84.968628
"1419347"	693.163738	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+H+CF3COOH"	115.000138
"1159479"	351.628901	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+3ACN+2H"	125.094202
"1705750"	710.190285	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+NH4+CF3COOH"	132.026685
"1637026"	715.14568	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+Na+CF3COOH"	136.98208
"1578146"	731.11962	"C12627"	"Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside"	"C27H30O14"	"578.1636"	"M+K+CF3COOH"	152.95602
"808511"	578.1636	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M"	0
"978763"	559.14521	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-H2O-H"	-19.01839
"72474"	384.435124	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M-3H"	-3.021828
"503891"	577.156324	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M-3H"	-3.021828
"883272"	191.713924	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-3H"	-3.021828
"506"	577.156324	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M-2H"	-2.014552
"440190"	866.238124	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M-2H"	-2.014552
"817749"	288.074524	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-2H"	-2.014552
"93556"	1155.319924	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M-H"	-1.007276
"533112"	1733.483524	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M-H"	-1.007276
"903135"	577.156324	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-H"	-1.007276
"55321"	1172.346471	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M-2H+NH4"	16.019271
"494880"	1750.510071	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M-2H+NH4"	16.019271
"867943"	594.182871	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-2H+NH4"	16.019271
"39492"	1177.301866	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M-2H+Na"	20.974666
"480146"	1755.465466	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M-2H+Na"	20.974666
"854664"	599.138266	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-2H+Na"	20.974666
"1619821"	599.138266	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Na-2H"	20.974666
"95377"	595.144663	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M-H+Cl"	33.962126
"534437"	884.226463	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M-H+Cl"	33.962126
"937086"	306.062863	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-H+Cl"	33.962126
"277830"	1191.296602	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+Cl"	34.969402
"671345"	1769.460202	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+Cl"	34.969402
"1276097"	613.133002	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Cl"	34.969402
"26310"	1193.275806	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M-2H+K"	36.948606
"471285"	1771.439406	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M-2H+K"	36.948606
"848455"	615.112206	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-2H+K"	36.948606
"1570090"	615.112206	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+K-2H"	36.948606
"956513"	623.161794	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-H+HCOOH"	44.998194
"374361"	1201.325401	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+HCOOH-H"	44.998201
"358973"	1215.341051	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+Hac-H"	59.013851
"1505988"	637.177451	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Hac-H"	59.013851
"971705"	645.143751	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-H+NaCOOH"	66.980151
"120620"	613.133002	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+2Cl"	69.938804
"562368"	902.214802	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+2Cl"	69.938804
"1033718"	324.051202	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2Cl"	69.938804
"1252563"	657.082485	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Br"	78.918885
"1315011"	659.138472	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Cl+HCOOH"	80.974872
"1329228"	681.120429	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Cl+NaCOOH"	102.956829
"921382"	691.149186	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M-H+CF3COOH"	112.985586
"1303888"	727.125864	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Cl+CF3COOH"	148.962264
"1380628"	543.150924	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H-2H2O"	-35.012676
"1395573"	561.1609	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H-H2O"	-17.0027
"290153"	1157.334476	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+H"	1.007276
"690602"	1735.498076	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+H"	1.007276
"1365125"	579.170876	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H"	1.007276
"136557"	579.170876	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+2H"	2.014552
"577574"	868.252676	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+2H"	2.014552
"1046737"	290.089076	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2H"	2.014552
"216825"	386.449676	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+3H"	3.021828
"653833"	579.170876	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+3H"	3.021828
"1169041"	193.728476	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+3H"	3.021828
"434508"	1174.361023	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+NH4"	18.033823
"796597"	1752.524623	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+NH4"	18.033823
"1689648"	596.197423	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+NH4"	18.033823
"339018"	587.6841495	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+H+NH4"	19.041099
"729252"	876.7659495	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+H+NH4"	19.041099
"1479059"	298.6023495	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H+NH4"	19.041099
"401752"	1179.316418	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+Na"	22.989218
"758374"	1757.480018	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+Na"	22.989218
"1613033"	601.152818	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Na"	22.989218
"320884"	590.161847	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+H+Na"	23.996494
"715494"	879.243647	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+H+Na"	23.996494
"1466031"	301.080047	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H+Na"	23.996494
"1054173"	201.05579	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2H+Na"	25.00377
"1258038"	611.197086	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+CH3OH+H"	33.033486
"386097"	1195.290358	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+K"	38.963158
"748184"	1773.453958	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+K"	38.963158
"1545133"	617.126758	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+K"	38.963158
"303401"	598.148817	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+H+K"	39.970434
"705676"	887.230617	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+H+K"	39.970434
"1456939"	309.067017	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H+K"	39.970434
"247727"	1198.361026	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+ACN+H"	42.033826
"1217155"	620.197426	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+ACN+H"	42.033826
"1207244"	310.602351	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+ACN+2H"	43.041102
"199383"	1201.29836	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+2Na-H"	44.97116
"635662"	1779.46196	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+2Na-H"	44.97116
"1139169"	623.13476	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2Na-H"	44.97116
"185377"	601.152818	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+2Na"	45.978436
"624209"	890.234618	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+2Na"	45.978436
"1126622"	312.071018	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2Na"	45.978436
"1410145"	208.383104	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H+2Na"	46.985712
"1437885"	625.176346	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H+HCOOH"	47.012746
"225393"	606.18584	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+3H2O+2H"	56.04448
"1511270"	639.22839	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+IsoProp+H"	61.06479
"410954"	609.139788	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+Na+K"	61.952376
"773772"	898.221588	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+Na+K"	61.952376
"1670104"	320.057988	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Na+K"	61.952376
"260267"	1220.342968	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+ACN+Na"	64.015768
"1237350"	642.179368	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+ACN+Na"	64.015768
"1721862"	642.202893	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+NH4+HCOOH"	64.039293
"1185030"	215.710418	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+3Na"	68.967654
"1653099"	647.158288	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Na+HCOOH"	68.994688
"168349"	1233.24624	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+2K-H"	76.91904
"610099"	1811.40984	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+2K-H"	76.91904
"1099241"	655.08264	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2K-H"	76.91904
"154724"	617.126758	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"2M+2K"	77.926316
"595854"	906.208558	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"3M+2K"	77.926316
"1083653"	328.044958	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2K"	77.926316
"1113705"	657.097192	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2K+H"	78.933592
"1348998"	657.184807	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+DMSO+H"	79.021207
"1020804"	661.223976	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2ACN+H"	83.060376
"1537219"	662.217608	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+IsoProp+Na+H"	84.054008
"1003669"	331.115626	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+2ACN+2H"	84.067652
"1599266"	663.132228	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+K+HCOOH"	84.968628
"1421643"	693.163738	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+H+CF3COOH"	115.000138
"1159589"	351.628901	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+3ACN+2H"	125.094202
"1705860"	710.190285	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+NH4+CF3COOH"	132.026685
"1637136"	715.14568	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+Na+CF3COOH"	136.98208
"1581536"	731.11962	"C12628"	"Vitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylvitexin;Vitexin 2-rhamnoside"	"C27H30O14"	"578.1636"	"M+K+CF3COOH"	152.95602
"808621"	592.1792	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M"	0
"985434"	573.16081	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-H2O-H"	-19.01839
"70397"	393.778857333333	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M-3H"	-3.021828
"503757"	591.171924	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M-3H"	-3.021828
"883382"	196.385790666667	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-3H"	-3.021828
"5238"	591.171924	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M-2H"	-2.014552
"441151"	887.261524	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M-2H"	-2.014552
"819677"	295.082324	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-2H"	-2.014552
"92449"	1183.351124	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M-H"	-1.007276
"528726"	1775.530324	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M-H"	-1.007276
"899965"	591.171924	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-H"	-1.007276
"52152"	1200.377671	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M-2H+NH4"	16.019271
"492804"	1792.556871	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M-2H+NH4"	16.019271
"867325"	608.198471	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-2H+NH4"	16.019271
"38509"	1205.333066	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M-2H+Na"	20.974666
"479163"	1797.512266	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M-2H+Na"	20.974666
"851130"	613.153866	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-2H+Na"	20.974666
"1618918"	613.153866	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Na-2H"	20.974666
"95004"	609.160263	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M-H+Cl"	33.962126
"536014"	905.249863	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M-H+Cl"	33.962126
"927510"	313.070663	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-H+Cl"	33.962126
"267851"	1219.327802	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+Cl"	34.969402
"669269"	1811.507002	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+Cl"	34.969402
"1274021"	627.148602	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Cl"	34.969402
"26420"	1221.307006	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M-2H+K"	36.948606
"462699"	1813.486206	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M-2H+K"	36.948606
"847193"	629.127806	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-2H+K"	36.948606
"1570201"	629.127806	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+K-2H"	36.948606
"957354"	637.177394	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-H+HCOOH"	44.998194
"373378"	1229.356601	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+HCOOH-H"	44.998201
"359083"	1243.372251	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+Hac-H"	59.013851
"1508165"	651.193051	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Hac-H"	59.013851
"972182"	659.159351	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-H+NaCOOH"	66.980151
"123648"	627.148602	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+2Cl"	69.938804
"563574"	923.238202	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+2Cl"	69.938804
"1033096"	331.059002	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2Cl"	69.938804
"1253039"	671.098085	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Br"	78.918885
"1315122"	673.154072	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Cl+HCOOH"	80.974872
"1327152"	695.136029	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Cl+NaCOOH"	102.956829
"920399"	705.164786	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M-H+CF3COOH"	112.985586
"1304128"	741.141464	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Cl+CF3COOH"	148.962264
"1379280"	557.166524	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H-2H2O"	-35.012676
"1397750"	575.1765	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H-H2O"	-17.0027
"289170"	1185.365676	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+H"	1.007276
"690714"	1777.544876	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+H"	1.007276
"1365965"	593.186476	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H"	1.007276
"139219"	593.186476	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+2H"	2.014552
"578777"	889.276076	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+2H"	2.014552
"1047940"	297.096876	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2H"	2.014552
"217299"	395.793409333333	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+3H"	3.021828
"655766"	593.186476	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+3H"	3.021828
"1166965"	198.400342666667	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+3H"	3.021828
"434618"	1202.392223	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+NH4"	18.033823
"796708"	1794.571423	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+NH4"	18.033823
"1691945"	610.213023	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+NH4"	18.033823
"339128"	601.6997495	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+H+NH4"	19.041099
"729362"	897.7893495	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+H+NH4"	19.041099
"1478563"	305.6101495	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H+NH4"	19.041099
"402956"	1207.347618	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+Na"	22.989218
"757391"	1799.526818	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+Na"	22.989218
"1609864"	615.168418	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Na"	22.989218
"318808"	604.177447	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+H+Na"	23.996494
"710133"	900.267047	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+H+Na"	23.996494
"1466142"	308.087847	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H+Na"	23.996494
"1054283"	205.727656666667	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2H+Na"	25.00377
"1261065"	625.212686	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+CH3OH+H"	33.033486
"384019"	1223.321558	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+K"	38.963158
"743192"	1815.500758	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+K"	38.963158
"1544150"	631.142358	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+K"	38.963158
"303147"	612.164417	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+H+K"	39.970434
"706391"	908.254017	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+H+K"	39.970434
"1455956"	316.074817	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H+K"	39.970434
"245650"	1226.392226	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+ACN+H"	42.033826
"1217265"	634.213026	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+ACN+H"	42.033826
"1203342"	317.610151	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+ACN+2H"	43.041102
"194027"	1229.32956	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+2Na-H"	44.97116
"635773"	1821.50876	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+2Na-H"	44.97116
"1139279"	637.15036	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2Na-H"	44.97116
"183664"	615.168418	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+2Na"	45.978436
"624318"	911.258018	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+2Na"	45.978436
"1128921"	319.078818	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2Na"	45.978436
"1409163"	213.054970666667	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H+2Na"	46.985712
"1435079"	639.191946	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H+HCOOH"	47.012746
"224044"	620.20144	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+3H2O+2H"	56.04448
"1511744"	653.24399	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+IsoProp+H"	61.06479
"410701"	623.155388	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+Na+K"	61.952376
"778624"	919.244988	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+Na+K"	61.952376
"1672769"	327.065788	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Na+K"	61.952376
"258194"	1248.374168	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+ACN+Na"	64.015768
"1233089"	656.194968	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+ACN+Na"	64.015768
"1720879"	656.218493	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+NH4+HCOOH"	64.039293
"1185141"	220.382284666667	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+3Na"	68.967654
"1658315"	661.173888	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Na+HCOOH"	68.994688
"166272"	1261.27744	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+2K-H"	76.91904
"609116"	1853.45664	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+2K-H"	76.91904
"1099230"	669.09824	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2K-H"	76.91904
"155563"	631.142358	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"2M+2K"	77.926316
"596939"	927.231958	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"3M+2K"	77.926316
"1084005"	335.052758	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2K"	77.926316
"1114908"	671.112792	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2K+H"	78.933592
"1351089"	671.200407	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+DMSO+H"	79.021207
"1020666"	675.239576	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2ACN+H"	83.060376
"1537329"	676.233208	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+IsoProp+Na+H"	84.054008
"1002686"	338.123426	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+2ACN+2H"	84.067652
"1595003"	677.147828	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+K+HCOOH"	84.968628
"1419567"	707.179338	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+H+CF3COOH"	115.000138
"1149856"	358.636701	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+3ACN+2H"	125.094202
"1707064"	724.205885	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+NH4+CF3COOH"	132.026685
"1637246"	729.16128	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+Na+CF3COOH"	136.98208
"1581646"	745.13522	"C12629"	"Isoswertisin 2-rhamnoside;7-O-Methylvitexin 2-O-beta-L-rhamnoside;2-O-Rhamnosylisoswertisin"	"C28H32O14"	"592.1792"	"M+K+CF3COOH"	152.95602
"808731"	594.1585	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M"	0
"980079"	575.14011	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"65041"	395.098390666667	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"503260"	593.151224	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"881669"	197.045557333333	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"323"	593.151224	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"441623"	890.230474	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"818453"	296.071974	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"93167"	1187.309724	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"529929"	1781.468224	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"900074"	593.151224	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"51166"	1204.336271	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"491820"	1798.494771	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"868163"	610.177771	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"38619"	1209.291666	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"474899"	1803.450166	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"850509"	615.133166	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1619312"	615.133166	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"94391"	611.139563	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"535070"	908.218813	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"927536"	314.060313	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"268200"	1223.286402	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"667192"	1817.444902	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1276314"	629.127902	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"26530"	1225.265606	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"462809"	1819.424106	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"847545"	631.107106	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1570302"	631.107106	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"958392"	639.156694	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"376289"	1233.315201	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"359923"	1247.330851	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1507790"	653.172351	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"972171"	661.138651	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"121569"	629.127902	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"562224"	926.207152	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1032843"	332.048652	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1253514"	673.077385	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1315232"	675.133372	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1335041"	697.115329	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"922696"	707.144086	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1303662"	743.120764	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1381822"	559.145824	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1395793"	577.1558	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"290375"	1189.324276	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"690091"	1783.482776	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1366073"	595.165776	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"138235"	595.165776	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"580226"	892.245026	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1050602"	298.086526	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"217409"	397.112942666667	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"655876"	595.165776	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1170355"	199.060109333333	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"427066"	1206.350823	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"795722"	1800.509323	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1689867"	612.192323	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"332677"	603.6790495	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"729471"	900.7582995	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1479281"	306.5997995	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"404159"	1211.306218	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"758593"	1805.464718	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1609974"	617.147718	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"321105"	606.156747	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"711337"	903.235997	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1466252"	309.077497	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1059496"	206.387423333333	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1261174"	627.191986	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"381577"	1227.280158	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"742572"	1821.438658	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1542072"	633.121658	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"301434"	614.143717	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"703344"	911.222967	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1458253"	317.064467	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"244667"	1230.350826	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1214095"	636.192326	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1203091"	318.599801	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"197420"	1233.28816	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"635882"	1827.44666	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1132828"	639.12966	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"184868"	617.147718	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"622245"	914.226968	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1129030"	320.068468	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1410367"	213.714737333333	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1440294"	641.171246	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"225615"	622.18074	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1518052"	655.22329	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"410811"	625.134688	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"777641"	922.213938	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1673973"	328.055438	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"258305"	1252.332768	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1236482"	658.174268	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1719899"	658.197793	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1184522"	221.042051333333	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1658425"	663.153188	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"162734"	1265.23604	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"608132"	1859.39454	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1099097"	671.07754	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"155672"	633.121658	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"597056"	930.200908	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1084123"	336.042408	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1113321"	673.092092	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1351299"	673.179707	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1019196"	677.218876	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1536346"	678.212508	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"1002796"	339.113076	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1595113"	679.127128	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1418584"	709.158638	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1151059"	359.626351	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1706081"	726.185185	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1637356"	731.14058	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1575194"	747.11452	"C12630"	"Scolymoside;Luteolin 7-O-neohesperidoside;Veronicastroside"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"816496"	288.0634	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M"	0
"981281"	269.04501	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"66244"	191.034990666667	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"504710"	287.056124	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"881780"	95.0138573333333	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"3272"	287.056124	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"444287"	431.087824	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"820633"	143.024424	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"91942"	575.119524	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"525666"	863.182924	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"899091"	287.056124	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"51278"	592.146071	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"492294"	880.209471	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"868271"	304.082671	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"36542"	597.101466	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"476101"	885.164866	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"852442"	309.038066	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1618815"	309.038066	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"94858"	305.044463	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"535876"	449.076163	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"927932"	161.012763	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"269409"	611.096202	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"664020"	899.159602	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1274237"	323.032802	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"26640"	613.075406	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"460733"	901.138806	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"846685"	325.012006	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1569321"	325.012006	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"957942"	333.061594	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"376525"	621.125001	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"358216"	635.140651	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1505585"	347.077251	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"973861"	355.043551	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"124600"	323.032802	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"563432"	467.064502	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1034414"	179.001102	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1255084"	366.982285	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1316801"	369.038272	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1333204"	391.020229	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"922806"	401.048986	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1303408"	437.025664	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1382299"	253.050724	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1398058"	271.0607	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"293401"	577.134076	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"690893"	865.197476	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1365819"	289.070676	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"140168"	289.070676	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"580781"	433.102376	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1051076"	145.038976	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"216061"	193.049542666667	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"655257"	289.070676	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1171559"	97.0284093333333	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"427176"	594.160623	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"794739"	882.224023	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1691070"	306.097223	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"336067"	297.5839495	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"724114"	441.6156495	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1481214"	153.5522495	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"400989"	599.116018	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"761983"	887.179418	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1613365"	311.052618	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"319028"	300.061647	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"713635"	444.093347	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1469644"	156.029947	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1059608"	104.355723333333	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1260192"	321.096886	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"379862"	615.089958	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"741224"	903.153358	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1542177"	327.026558	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"301177"	308.048617	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"703090"	452.080317	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1459456"	164.016917	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"244777"	618.160626	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1214205"	330.097226	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1203562"	165.552251	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"196436"	621.09796	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"635992"	909.16136	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1139500"	333.03456	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"180604"	311.052618	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"622356"	455.084318	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1126590"	167.020918	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1408291"	111.683037333333	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1438948"	335.076146	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"229006"	316.08564	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1520715"	349.12819	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"417849"	319.039588	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"782491"	463.071288	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1674448"	175.007888	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"259509"	640.142568	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1234041"	352.079168	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1718916"	352.102693	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1184632"	119.010351333333	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1658535"	357.058088	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"164302"	653.04584	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"607148"	941.10924	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1098236"	364.98244	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"155295"	327.026558	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"596553"	471.058258	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1082769"	182.994858	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1113549"	366.996992	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1348963"	367.084607	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1020645"	371.123776	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1538401"	372.117408	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"1002908"	186.065526	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1602154"	373.032028	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1423071"	403.063538	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1156638"	206.578801	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1707284"	420.090085	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1636372"	425.04548	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1575304"	441.01942	"C12631"	"2-Hydroxy-23-dihydrogenistein"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"808951"	638.1119	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M"	0
"985765"	619.09351	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-H2O-H"	-19.01839
"74007"	424.400657333333	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M-3H"	-3.021828
"511379"	637.104624	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M-3H"	-3.021828
"884808"	211.696690666667	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-3H"	-3.021828
"4476"	637.104624	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M-2H"	-2.014552
"444035"	956.160574	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M-2H"	-2.014552
"829493"	318.048674	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-2H"	-2.014552
"93267"	1275.216524	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M-H"	-1.007276
"526869"	1913.328424	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M-H"	-1.007276
"901387"	637.104624	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-H"	-1.007276
"53575"	1292.243071	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M-2H+NH4"	16.019271
"490947"	1930.354971	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M-2H+NH4"	16.019271
"868017"	654.131171	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-2H+NH4"	16.019271
"42119"	1297.198466	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M-2H+Na"	20.974666
"479492"	1935.310366	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M-2H+Na"	20.974666
"851826"	659.086566	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-2H+Na"	20.974666
"1622449"	659.086566	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Na-2H"	20.974666
"100073"	655.092963	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M-H+Cl"	33.962126
"538538"	974.148913	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M-H+Cl"	33.962126
"929139"	336.037013	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-H+Cl"	33.962126
"271706"	1311.193202	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+Cl"	34.969402
"668504"	1949.305102	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+Cl"	34.969402
"1276536"	673.081302	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Cl"	34.969402
"26750"	1313.172406	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M-2H+K"	36.948606
"460843"	1951.284306	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M-2H+K"	36.948606
"847767"	675.060506	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-2H+K"	36.948606
"1570040"	675.060506	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+K-2H"	36.948606
"958274"	683.110094	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-H+HCOOH"	44.998194
"376964"	1321.222001	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+HCOOH-H"	44.998201
"360394"	1335.237651	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+Hac-H"	59.013851
"1505698"	697.125751	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Hac-H"	59.013851
"973613"	705.092051	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-H+NaCOOH"	66.980151
"125075"	673.081302	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+2Cl"	69.938804
"564876"	992.137252	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+2Cl"	69.938804
"1036349"	354.025352	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2Cl"	69.938804
"1256171"	717.030785	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Br"	78.918885
"1318979"	719.086772	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Cl+HCOOH"	80.974872
"1335022"	741.068729	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Cl+NaCOOH"	102.956829
"924983"	751.097486	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M-H+CF3COOH"	112.985586
"1304117"	787.074164	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Cl+CF3COOH"	148.962264
"1382045"	603.099224	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H-2H2O"	-35.012676
"1398412"	621.1092	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H-H2O"	-17.0027
"297885"	1277.231076	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+H"	1.007276
"690799"	1915.342976	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+H"	1.007276
"1366420"	639.119176	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H"	1.007276
"140847"	639.119176	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+2H"	2.014552
"579473"	958.175126	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+2H"	2.014552
"1052403"	320.063226	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2H"	2.014552
"219088"	426.415209333333	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+3H"	3.021828
"655367"	639.119176	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+3H"	3.021828
"1170576"	213.711242666667	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+3H"	3.021828
"424611"	1294.257623	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+NH4"	18.033823
"800318"	1932.369523	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+NH4"	18.033823
"1696284"	656.145723	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+NH4"	18.033823
"341645"	647.6324495	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+H+NH4"	19.041099
"729692"	966.6883995	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+H+NH4"	19.041099
"1484604"	328.5764995	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H+NH4"	19.041099
"404379"	1299.213018	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+Na"	22.989218
"759907"	1937.324918	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+Na"	22.989218
"1613474"	661.101118	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Na"	22.989218
"320231"	650.110147	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+H+Na"	23.996494
"713745"	969.166097	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+H+Na"	23.996494
"1466473"	331.054197	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H+Na"	23.996494
"1058624"	221.038556666667	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2H+Na"	25.00377
"1259209"	671.145386	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+CH3OH+H"	33.033486
"381067"	1315.186958	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+K"	38.963158
"740970"	1953.298858	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+K"	38.963158
"1541561"	677.075058	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+K"	38.963158
"302018"	658.097117	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+H+K"	39.970434
"705629"	977.153067	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+H+K"	39.970434
"1458473"	339.041167	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H+K"	39.970434
"248167"	1318.257626	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+ACN+H"	42.033826
"1214315"	680.145726	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+ACN+H"	42.033826
"1206227"	340.576501	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+ACN+2H"	43.041102
"200919"	1321.19496	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+2Na-H"	44.97116
"638289"	1959.30686	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+2Na-H"	44.97116
"1140703"	683.08306	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2Na-H"	44.97116
"185455"	661.101118	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+2Na"	45.978436
"624289"	980.157068	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+2Na"	45.978436
"1125608"	342.045168	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2Na"	45.978436
"1409860"	228.365870666667	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H+2Na"	46.985712
"1440151"	685.124646	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H+HCOOH"	47.012746
"231304"	666.13414	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+3H2O+2H"	56.04448
"1523012"	699.17669	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+IsoProp+H"	61.06479
"415407"	669.088088	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+Na+K"	61.952376
"777497"	988.144038	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+Na+K"	61.952376
"1673099"	350.032138	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Na+K"	61.952376
"255244"	1340.239568	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+ACN+Na"	64.015768
"1231961"	702.127668	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+ACN+Na"	64.015768
"1721211"	702.151193	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+NH4+HCOOH"	64.039293
"1180731"	235.693184666667	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+3Na"	68.967654
"1656820"	707.106588	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Na+HCOOH"	68.994688
"160765"	1353.14284	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+2K-H"	76.91904
"609445"	1991.25474	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+2K-H"	76.91904
"1097741"	715.03094	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2K-H"	76.91904
"154920"	677.075058	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"2M+2K"	77.926316
"595565"	996.131008	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"3M+2K"	77.926316
"1082393"	358.019108	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2K"	77.926316
"1113900"	717.045492	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2K+H"	78.933592
"1348464"	717.133107	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+DMSO+H"	79.021207
"1019539"	721.172276	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2ACN+H"	83.060376
"1537660"	722.165908	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+IsoProp+Na+H"	84.054008
"1001925"	361.089776	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+2ACN+2H"	84.067652
"1601777"	723.080528	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+K+HCOOH"	84.968628
"1424274"	753.112038	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+H+CF3COOH"	115.000138
"1158934"	381.603051	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+3ACN+2H"	125.094202
"1703019"	770.138585	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+NH4+CF3COOH"	132.026685
"1635753"	775.09398	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+Na+CF3COOH"	136.98208
"1572134"	791.06792	"C12632"	"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide;Luteolin 7-O-beta-D-diglucuronide"	"C27H26O18"	"638.1119"	"M+K+CF3COOH"	152.95602
"809061"	332.0532	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M"	0
"984781"	313.03481	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-H2O-H"	-19.01839
"64276"	220.361524	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M-3H"	-3.021828
"504562"	331.045924	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M-3H"	-3.021828
"883823"	109.677124	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-3H"	-3.021828
"2400"	331.045924	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M-2H"	-2.014552
"441226"	497.072524	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M-2H"	-2.014552
"817576"	165.019324	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-2H"	-2.014552
"91795"	663.099124	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M-H"	-1.007276
"525886"	995.152324	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M-H"	-1.007276
"900404"	331.045924	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-H"	-1.007276
"52589"	680.125671	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M-2H+NH4"	16.019271
"491421"	1012.178871	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M-2H+NH4"	16.019271
"867034"	348.072471	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-2H+NH4"	16.019271
"36762"	685.081066	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M-2H+Na"	20.974666
"474131"	1017.134266	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M-2H+Na"	20.974666
"849176"	353.027866	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-2H+Na"	20.974666
"1619639"	353.027866	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Na-2H"	20.974666
"94509"	349.034263	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M-H+Cl"	33.962126
"535365"	515.060863	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M-H+Cl"	33.962126
"927421"	183.007663	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-H+Cl"	33.962126
"267437"	699.075802	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+Cl"	34.969402
"667521"	1031.129002	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+Cl"	34.969402
"1276643"	367.022602	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Cl"	34.969402
"20299"	701.055006	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M-2H+K"	36.948606
"460953"	1033.108206	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M-2H+K"	36.948606
"848285"	369.001806	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-2H+K"	36.948606
"1570876"	369.001806	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+K-2H"	36.948606
"957964"	377.051394	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-H+HCOOH"	44.998194
"376507"	709.104601	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+HCOOH-H"	44.998201
"359892"	723.120251	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+Hac-H"	59.013851
"1506537"	391.067051	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Hac-H"	59.013851
"973843"	399.033351	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-H+NaCOOH"	66.980151
"125064"	367.022602	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+2Cl"	69.938804
"564871"	533.049202	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+2Cl"	69.938804
"1036336"	200.996002	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2Cl"	69.938804
"1255915"	410.972085	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Br"	78.918885
"1317021"	413.028072	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Cl+HCOOH"	80.974872
"1335511"	435.010029	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Cl+NaCOOH"	102.956829
"924120"	445.038786	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M-H+CF3COOH"	112.985586
"1304037"	481.015464	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Cl+CF3COOH"	148.962264
"1381544"	297.040524	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H-2H2O"	-35.012676
"1397583"	315.0505	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H-H2O"	-17.0027
"297753"	665.113676	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+H"	1.007276
"690786"	997.166876	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+H"	1.007276
"1365918"	333.060476	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H"	1.007276
"136743"	333.060476	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+2H"	2.014552
"577397"	499.087076	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+2H"	2.014552
"1051298"	167.033876	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2H"	2.014552
"217376"	222.376076	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+3H"	3.021828
"654748"	333.060476	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+3H"	3.021828
"1170686"	111.691676	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+3H"	3.021828
"424519"	682.140223	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+NH4"	18.033823
"800428"	1014.193423	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+NH4"	18.033823
"1694208"	350.087023	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+NH4"	18.033823
"341755"	341.5737495	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+H+NH4"	19.041099
"729802"	507.6003495	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+H+NH4"	19.041099
"1484714"	175.5471495	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H+NH4"	19.041099
"404489"	687.095618	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+Na"	22.989218
"761110"	1019.148818	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+Na"	22.989218
"1611398"	355.042418	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Na"	22.989218
"321434"	344.051447	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+H+Na"	23.996494
"712762"	510.078047	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+H+Na"	23.996494
"1466582"	178.024847	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H+Na"	23.996494
"1056912"	119.01899	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2H+Na"	25.00377
"1258226"	365.086686	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+CH3OH+H"	33.033486
"382267"	703.069558	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+K"	38.963158
"741080"	1035.122758	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+K"	38.963158
"1541306"	371.016358	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+K"	38.963158
"300670"	352.038417	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+H+K"	39.970434
"702580"	518.065017	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+H+K"	39.970434
"1457490"	186.011817	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H+K"	39.970434
"246091"	706.140226	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+ACN+H"	42.033826
"1214425"	374.087026	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+ACN+H"	42.033826
"1204878"	187.547151	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+ACN+2H"	43.041102
"197747"	709.07756	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+2Na-H"	44.97116
"637670"	1041.13076	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+2Na-H"	44.97116
"1137897"	377.02436	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2Na-H"	44.97116
"186294"	355.042418	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+2Na"	45.978436
"624399"	521.069018	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+2Na"	45.978436
"1126811"	189.015818	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2Na"	45.978436
"1410697"	126.346304	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H+2Na"	46.985712
"1441718"	379.065946	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H+HCOOH"	47.012746
"232506"	360.07544	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+3H2O+2H"	56.04448
"1520936"	393.11799	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+IsoProp+H"	61.06479
"415881"	363.029388	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+Na+K"	61.952376
"777971"	529.055988	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+Na+K"	61.952376
"1673209"	197.002788	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Na+K"	61.952376
"254989"	728.122168	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+ACN+Na"	64.015768
"1229884"	396.068968	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+ACN+Na"	64.015768
"1721321"	396.092493	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+NH4+HCOOH"	64.039293
"1180477"	133.673618	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+3Na"	68.967654
"1655837"	401.047888	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Na+HCOOH"	68.994688
"160511"	741.02544	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+2K-H"	76.91904
"606274"	1073.07864	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+2K-H"	76.91904
"1098452"	408.97224	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2K-H"	76.91904
"155634"	371.016358	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"2M+2K"	77.926316
"596527"	537.042958	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"3M+2K"	77.926316
"1083837"	204.989758	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2K"	77.926316
"1114740"	410.986792	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2K+H"	78.933592
"1350515"	411.074407	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+DMSO+H"	79.021207
"1019647"	415.113576	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2ACN+H"	83.060376
"1536677"	416.107208	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+IsoProp+Na+H"	84.054008
"1002035"	208.060426	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+2ACN+2H"	84.067652
"1602373"	417.021828	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+K+HCOOH"	84.968628
"1425477"	447.053338	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+H+CF3COOH"	115.000138
"1155764"	228.573701	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+3ACN+2H"	125.094202
"1699849"	464.079885	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+NH4+CF3COOH"	132.026685
"1635499"	469.03528	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+Na+CF3COOH"	136.98208
"1572244"	485.00922	"C12633"	"Laricitrin;3-O-Methylmyricetin"	"C16H12O8"	"332.0532"	"M+K+CF3COOH"	152.95602
"809171"	610.1534	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M"	0
"982703"	591.13501	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-H2O-H"	-19.01839
"64020"	405.761657333333	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M-3H"	-3.021828
"509411"	609.146124	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M-3H"	-3.021828
"883933"	202.377190666667	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-3H"	-3.021828
"3603"	609.146124	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M-2H"	-2.014552
"442427"	914.222824	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M-2H"	-2.014552
"819870"	304.069424	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-2H"	-2.014552
"86436"	1219.299524	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M-H"	-1.007276
"525996"	1829.452924	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M-H"	-1.007276
"899421"	609.146124	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-H"	-1.007276
"53793"	1236.326071	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M-2H+NH4"	16.019271
"492260"	1846.479471	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M-2H+NH4"	16.019271
"866413"	626.172671	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-2H+NH4"	16.019271
"36870"	1241.281466	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M-2H+Na"	20.974666
"473509"	1851.434866	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M-2H+Na"	20.974666
"849485"	631.128066	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-2H+Na"	20.974666
"1620477"	631.128066	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Na-2H"	20.974666
"95549"	627.134463	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M-H+Cl"	33.962126
"534744"	932.211163	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M-H+Cl"	33.962126
"927288"	322.057763	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-H+Cl"	33.962126
"267792"	1255.276202	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+Cl"	34.969402
"661797"	1865.429602	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+Cl"	34.969402
"1272954"	645.122802	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Cl"	34.969402
"16021"	1257.255406	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M-2H+K"	36.948606
"457781"	1867.408806	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M-2H+K"	36.948606
"847985"	647.102006	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-2H+K"	36.948606
"1571265"	647.102006	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+K-2H"	36.948606
"957651"	655.151594	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-H+HCOOH"	44.998194
"376121"	1265.305001	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+HCOOH-H"	44.998201
"359638"	1279.320651	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+Hac-H"	59.013851
"1506645"	669.167251	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Hac-H"	59.013851
"970545"	677.133551	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-H+NaCOOH"	66.980151
"123830"	645.122802	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+2Cl"	69.938804
"563025"	950.199502	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+2Cl"	69.938804
"1032916"	340.046102	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2Cl"	69.938804
"1251037"	689.072285	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Br"	78.918885
"1315672"	691.128272	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Cl+HCOOH"	80.974872
"1327700"	713.110229	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Cl+NaCOOH"	102.956829
"923135"	723.138986	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M-H+CF3COOH"	112.985586
"1300575"	759.115664	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Cl+CF3COOH"	148.962264
"1381289"	575.140724	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H-2H2O"	-35.012676
"1392587"	593.1507	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H-H2O"	-17.0027
"297986"	1221.314076	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+H"	1.007276
"690165"	1831.467476	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+H"	1.007276
"1360315"	611.160676	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H"	1.007276
"139766"	611.160676	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+2H"	2.014552
"576413"	916.237376	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+2H"	2.014552
"1048857"	306.083976	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2H"	2.014552
"214569"	407.776209333333	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+3H"	3.021828
"655587"	611.160676	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+3H"	3.021828
"1169703"	204.391742666667	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+3H"	3.021828
"428601"	1238.340623	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+NH4"	18.033823
"798349"	1848.494023	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+NH4"	18.033823
"1693587"	628.187223	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+NH4"	18.033823
"340409"	619.6739495	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+H+NH4"	19.041099
"729912"	924.7506495	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+H+NH4"	19.041099
"1484824"	314.5972495	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H+NH4"	19.041099
"404599"	1243.296018	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+Na"	22.989218
"760127"	1853.449418	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+Na"	22.989218
"1606041"	633.142618	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Na"	22.989218
"317536"	622.151647	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+H+Na"	23.996494
"708862"	927.228347	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+H+Na"	23.996494
"1462193"	317.074947	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H+Na"	23.996494
"1053493"	211.719056666667	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2H+Na"	25.00377
"1257968"	643.186886	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+CH3OH+H"	33.033486
"379095"	1259.269958	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+K"	38.963158
"738995"	1869.423358	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+K"	38.963158
"1539875"	649.116558	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+K"	38.963158
"298578"	630.138617	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+H+K"	39.970434
"702690"	935.215317	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+H+K"	39.970434
"1456506"	325.061917	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H+K"	39.970434
"246200"	1262.340626	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+ACN+H"	42.033826
"1214535"	652.187226	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+ACN+H"	42.033826
"1206809"	326.597251	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+ACN+2H"	43.041102
"198221"	1265.27796	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+2Na-H"	44.97116
"635594"	1875.43136	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+2Na-H"	44.97116
"1138007"	655.12456	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2Na-H"	44.97116
"186039"	633.142618	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+2Na"	45.978436
"623415"	938.219318	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+2Na"	45.978436
"1128014"	328.065918	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2Na"	45.978436
"1409714"	219.046370666667	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H+2Na"	46.985712
"1443290"	657.166146	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H+HCOOH"	47.012746
"233712"	638.17564	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+3H2O+2H"	56.04448
"1520317"	671.21819	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+IsoProp+H"	61.06479
"421460"	641.129588	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+Na+K"	61.952376
"776988"	946.206288	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+Na+K"	61.952376
"1673319"	336.052888	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Na+K"	61.952376
"255099"	1284.322568	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+ACN+Na"	64.015768
"1227442"	674.169168	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+ACN+Na"	64.015768
"1715966"	674.192693	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+NH4+HCOOH"	64.039293
"1179492"	226.373684666667	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+3Na"	68.967654
"1653761"	679.148088	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Na+HCOOH"	68.994688
"161714"	1297.22584	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+2K-H"	76.91904
"600918"	1907.37924	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+2K-H"	76.91904
"1098317"	687.07244	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2K-H"	76.91904
"155133"	649.116558	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"2M+2K"	77.926316
"594692"	954.193258	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"3M+2K"	77.926316
"1084026"	344.039858	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2K"	77.926316
"1115456"	689.086992	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2K+H"	78.933592
"1350829"	689.174607	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+DMSO+H"	79.021207
"1017570"	693.213776	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2ACN+H"	83.060376
"1533507"	694.207408	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+IsoProp+Na+H"	84.054008
"1002145"	347.110526	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+2ACN+2H"	84.067652
"1601878"	695.122028	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+K+HCOOH"	84.968628
"1426680"	725.153538	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+H+CF3COOH"	115.000138
"1152594"	367.623801	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+3ACN+2H"	125.094202
"1699959"	742.180085	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+NH4+CF3COOH"	132.026685
"1635609"	747.13548	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+Na+CF3COOH"	136.98208
"1572354"	763.10942	"C12634"	"Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Kaempferol 3-O-beta-D-sophoroside;Sophoraflavonoloside"	"C27H30O16"	"610.1534"	"M+K+CF3COOH"	152.95602
"801786"	772.2062	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M"	0
"979533"	753.18781	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-H2O-H"	-19.01839
"65588"	513.796857333333	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M-3H"	-3.021828
"510614"	771.198924	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M-3H"	-3.021828
"882948"	256.394790666667	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-3H"	-3.021828
"4806"	771.198924	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M-2H"	-2.014552
"441810"	1157.302024	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M-2H"	-2.014552
"822167"	385.095824	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-2H"	-2.014552
"86546"	1543.405124	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M-H"	-1.007276
"522825"	2315.611324	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M-H"	-1.007276
"898438"	771.198924	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-H"	-1.007276
"51716"	1560.431671	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M-2H+NH4"	16.019271
"492370"	2332.637871	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M-2H+NH4"	16.019271
"868347"	788.225471	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-2H+NH4"	16.019271
"34792"	1565.387066	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M-2H+Na"	20.974666
"473620"	2337.593266	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M-2H+Na"	20.974666
"851054"	793.180866	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-2H+Na"	20.974666
"1620586"	793.180866	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Na-2H"	20.974666
"96750"	789.187263	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M-H+Cl"	33.962126
"535582"	1175.290363	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M-H+Cl"	33.962126
"928372"	403.084163	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-H+Cl"	33.962126
"269844"	1579.381802	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+Cl"	34.969402
"660121"	2351.588002	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+Cl"	34.969402
"1273093"	807.175602	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Cl"	34.969402
"16252"	1581.361006	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M-2H+K"	36.948606
"457891"	2353.567206	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M-2H+K"	36.948606
"848477"	809.154806	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-2H+K"	36.948606
"1570122"	809.154806	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+K-2H"	36.948606
"956547"	817.204394	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-H+HCOOH"	44.998194
"376098"	1589.410601	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+HCOOH-H"	44.998201
"359380"	1603.426251	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+Hac-H"	59.013851
"1500190"	831.220051	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Hac-H"	59.013851
"971383"	839.186351	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-H+NaCOOH"	66.980151
"122847"	807.175602	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+2Cl"	69.938804
"561677"	1193.278702	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+2Cl"	69.938804
"1034119"	421.072502	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2Cl"	69.938804
"1251147"	851.125085	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Br"	78.918885
"1315782"	853.181072	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Cl+HCOOH"	80.974872
"1324529"	875.163029	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Cl+NaCOOH"	102.956829
"914856"	885.191786	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M-H+CF3COOH"	112.985586
"1299956"	921.168464	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Cl+CF3COOH"	148.962264
"1380305"	737.193524	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H-2H2O"	-35.012676
"1393425"	755.2035	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H-H2O"	-17.0027
"297609"	1545.419676	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+H"	1.007276
"688816"	2317.625876	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+H"	1.007276
"1360425"	773.213476	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H"	1.007276
"138782"	773.213476	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+2H"	2.014552
"577616"	1159.316576	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+2H"	2.014552
"1048966"	387.110376	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2H"	2.014552
"211763"	515.811409333333	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+3H"	3.021828
"654604"	773.213476	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+3H"	3.021828
"1169813"	258.409342666667	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+3H"	3.021828
"428711"	1562.446223	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+NH4"	18.033823
"798824"	2334.652423	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+NH4"	18.033823
"1693697"	790.240023	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+NH4"	18.033823
"339790"	781.7267495	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+H+NH4"	19.041099
"731115"	1167.8298495	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+H+NH4"	19.041099
"1484934"	395.6236495	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H+NH4"	19.041099
"401429"	1567.401618	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+Na"	22.989218
"760237"	2339.607818	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+Na"	22.989218
"1602940"	795.195418	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Na"	22.989218
"318375"	784.204447	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+H+Na"	23.996494
"709337"	1170.307547	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+H+Na"	23.996494
"1462183"	398.101347	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H+Na"	23.996494
"1054944"	265.736656666667	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2H+Na"	25.00377
"1257349"	805.239686	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+CH3OH+H"	33.033486
"380299"	1583.375558	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+K"	38.963158
"739349"	2355.581758	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+K"	38.963158
"1540297"	811.169358	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+K"	38.963158
"298702"	792.191417	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+H+K"	39.970434
"702798"	1178.294517	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+H+K"	39.970434
"1456616"	406.088317	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H+K"	39.970434
"238655"	1586.446226	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+ACN+H"	42.033826
"1214645"	814.240026	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+ACN+H"	42.033826
"1205460"	407.623651	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+ACN+2H"	43.041102
"196874"	1589.38356	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+2Na-H"	44.97116
"635704"	2361.58976	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+2Na-H"	44.97116
"1135565"	817.17736	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2Na-H"	44.97116
"186149"	795.195418	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+2Na"	45.978436
"622796"	1181.298518	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+2Na"	45.978436
"1126302"	409.092318	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2Na"	45.978436
"1409825"	273.063970666667	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H+2Na"	46.985712
"1442306"	819.218946	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H+HCOOH"	47.012746
"232366"	800.22844	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+3H2O+2H"	56.04448
"1519698"	833.27099	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+IsoProp+H"	61.06479
"421207"	803.182388	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+Na+K"	61.952376
"780014"	1189.285488	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+Na+K"	61.952376
"1673429"	417.079288	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Na+K"	61.952376
"254845"	1608.428168	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+ACN+Na"	64.015768
"1229376"	836.221968	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+ACN+Na"	64.015768
"1714982"	836.245493	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+NH4+HCOOH"	64.039293
"1181792"	280.391284666667	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+3Na"	68.967654
"1654600"	841.200888	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Na+HCOOH"	68.994688
"161825"	1621.33144	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+2K-H"	76.91904
"599932"	2393.53764	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+2K-H"	76.91904
"1097820"	849.12524	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2K-H"	76.91904
"153298"	811.169358	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"2M+2K"	77.926316
"595044"	1197.272458	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"3M+2K"	77.926316
"1082715"	425.066258	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2K"	77.926316
"1111668"	851.139792	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2K+H"	78.933592
"1350490"	851.227407	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+DMSO+H"	79.021207
"1019501"	855.266576	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2ACN+H"	83.060376
"1532523"	856.260208	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+IsoProp+Na+H"	84.054008
"994596"	428.136926	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+2ACN+2H"	84.067652
"1598944"	857.174828	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+K+HCOOH"	84.968628
"1424602"	887.206338	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+H+CF3COOH"	115.000138
"1155984"	448.650201	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+3ACN+2H"	125.094202
"1703349"	904.232885	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+NH4+CF3COOH"	132.026685
"1637906"	909.18828	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+Na+CF3COOH"	136.98208
"1573557"	925.16222	"C12635"	"Kaempferol 3-sophorotrioside;Kaempferol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O21"	"772.2062"	"M+K+CF3COOH"	152.95602
"809390"	918.243	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M"	0
"982923"	899.22461	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-H2O-H"	-19.01839
"68979"	611.154724	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M-3H"	-3.021828
"510725"	917.235724	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M-3H"	-3.021828
"888527"	305.073724	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-3H"	-3.021828
"10384"	917.235724	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M-2H"	-2.014552
"445568"	1376.357224	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M-2H"	-2.014552
"824465"	458.114224	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-2H"	-2.014552
"88843"	1835.478724	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M-H"	-1.007276
"526215"	2753.721724	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M-H"	-1.007276
"898912"	917.235724	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-H"	-1.007276
"51827"	1852.505271	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M-2H+NH4"	16.019271
"493574"	2770.748271	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M-2H+NH4"	16.019271
"869187"	934.262271	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-2H+NH4"	16.019271
"37088"	1857.460666	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M-2H+Na"	20.974666
"475549"	2775.703666	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M-2H+Na"	20.974666
"850803"	939.217666	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-2H+Na"	20.974666
"1621794"	939.217666	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Na-2H"	20.974666
"99417"	935.224063	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M-H+Cl"	33.962126
"541165"	1394.345563	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M-H+Cl"	33.962126
"929213"	476.102563	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-H+Cl"	33.962126
"271413"	1871.455402	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+Cl"	34.969402
"662746"	2789.698402	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+Cl"	34.969402
"1274297"	953.212402	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Cl"	34.969402
"17340"	1873.434606	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M-2H+K"	36.948606
"459092"	2791.677606	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M-2H+K"	36.948606
"848093"	955.191606	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-2H+K"	36.948606
"1570966"	955.191606	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+K-2H"	36.948606
"956657"	963.241194	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-H+HCOOH"	44.998194
"376331"	1881.484201	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+HCOOH-H"	44.998201
"360578"	1895.499851	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+Hac-H"	59.013851
"1502486"	977.256851	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Hac-H"	59.013851
"964559"	985.223151	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-H+NaCOOH"	66.980151
"120407"	953.212402	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+2Cl"	69.938804
"563248"	1412.333902	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+2Cl"	69.938804
"1034597"	494.090902	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2Cl"	69.938804
"1251257"	997.161885	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Br"	78.918885
"1318444"	999.217872	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Cl+HCOOH"	80.974872
"1331928"	1021.199829	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Cl+NaCOOH"	102.956829
"916060"	1031.228586	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M-H+CF3COOH"	112.985586
"1298973"	1067.205264	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Cl+CF3COOH"	148.962264
"1378228"	883.230324	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H-2H2O"	-35.012676
"1392442"	901.2403	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H-H2O"	-17.0027
"294314"	1837.493276	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+H"	1.007276
"689293"	2755.736276	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+H"	1.007276
"1360900"	919.250276	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H"	1.007276
"137072"	919.250276	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+2H"	2.014552
"579548"	1378.371776	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+2H"	2.014552
"1049076"	460.128776	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2H"	2.014552
"212237"	613.169276	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+3H"	3.021828
"656901"	919.250276	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+3H"	3.021828
"1172110"	307.088276	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+3H"	3.021828
"434288"	1854.519823	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+NH4"	18.033823
"798574"	2772.762823	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+NH4"	18.033823
"1693810"	936.276823	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+NH4"	18.033823
"342087"	927.7635495	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+H+NH4"	19.041099
"733412"	1386.8850495	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+H+NH4"	19.041099
"1488324"	468.6420495	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H+NH4"	19.041099
"404819"	1859.475218	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+Na"	22.989218
"763627"	2777.718218	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+Na"	22.989218
"1606622"	941.232218	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Na"	22.989218
"321765"	930.241247	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+H+Na"	23.996494
"712000"	1389.362747	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+H+Na"	23.996494
"1466913"	471.119747	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H+Na"	23.996494
"1056877"	314.41559	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2H+Na"	25.00377
"1262929"	951.276486	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+CH3OH+H"	33.033486
"383692"	1875.449158	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+K"	38.963158
"743591"	2793.692158	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+K"	38.963158
"1540543"	957.206158	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+K"	38.963158
"300026"	938.228217	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+H+K"	39.970434
"702909"	1397.349717	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+H+K"	39.970434
"1455633"	479.106717	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H+K"	39.970434
"245327"	1878.519826	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+ACN+H"	42.033826
"1216944"	960.276826	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+ACN+H"	42.033826
"1203019"	480.642051	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+ACN+2H"	43.041102
"196254"	1881.45716	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+2Na-H"	44.97116
"635450"	2799.70016	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+2Na-H"	44.97116
"1133852"	963.21416	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2Na-H"	44.97116
"185894"	941.232218	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+2Na"	45.978436
"623635"	1400.353718	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+2Na"	45.978436
"1126411"	482.110718	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2Na"	45.978436
"1409934"	321.742904	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H+2Na"	46.985712
"1439501"	965.255746	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H+HCOOH"	47.012746
"233205"	946.26524	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+3H2O+2H"	56.04448
"1519445"	979.30779	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+IsoProp+H"	61.06479
"421316"	949.219188	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+Na+K"	61.952376
"777208"	1408.340688	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+Na+K"	61.952376
"1670259"	490.097688	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Na+K"	61.952376
"258966"	1900.501768	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+ACN+Na"	64.015768
"1230580"	982.258768	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+ACN+Na"	64.015768
"1717279"	982.282293	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+NH4+HCOOH"	64.039293
"1179715"	329.070218	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+3Na"	68.967654
"1653616"	987.237688	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Na+HCOOH"	68.994688
"157923"	1913.40504	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+2K-H"	76.91904
"602228"	2831.64804	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+2K-H"	76.91904
"1096959"	995.16204	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2K-H"	76.91904
"152314"	957.206158	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"2M+2K"	77.926316
"594060"	1416.327658	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"3M+2K"	77.926316
"1081851"	498.084658	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2K"	77.926316
"1110684"	997.176592	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2K+H"	78.933592
"1348898"	997.264207	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+DMSO+H"	79.021207
"1015602"	1001.303376	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2ACN+H"	83.060376
"1532633"	1002.297008	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+IsoProp+Na+H"	84.054008
"994706"	501.155326	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+2ACN+2H"	84.067652
"1595774"	1003.211628	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+K+HCOOH"	84.968628
"1424712"	1033.243138	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+H+CF3COOH"	115.000138
"1149531"	521.668601	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+3ACN+2H"	125.094202
"1703459"	1050.269685	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+NH4+CF3COOH"	132.026685
"1638016"	1055.22508	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+Na+CF3COOH"	136.98208
"1576947"	1071.19902	"C12636"	"Kaempferol 3-O-6-(4-coumaroyl)-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C42H46O23"	"918.243"	"M+K+CF3COOH"	152.95602
"802210"	596.1377	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M"	0
"977566"	577.11931	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-H2O-H"	-19.01839
"64715"	396.417857333333	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M-3H"	-3.021828
"511928"	595.130424	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M-3H"	-3.021828
"884261"	197.705290666667	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-3H"	-3.021828
"7213"	595.130424	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M-2H"	-2.014552
"444584"	893.199274	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M-2H"	-2.014552
"825667"	297.061574	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-2H"	-2.014552
"90411"	1191.268124	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M-H"	-1.007276
"526325"	1787.405824	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M-H"	-1.007276
"898658"	595.130424	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-H"	-1.007276
"53030"	1208.294671	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M-2H+NH4"	16.019271
"494778"	1804.432371	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M-2H+NH4"	16.019271
"869297"	612.156971	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-2H+NH4"	16.019271
"36105"	1213.250066	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M-2H+Na"	20.974666
"474690"	1809.387766	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M-2H+Na"	20.974666
"853464"	617.112366	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-2H+Na"	20.974666
"1622997"	617.112366	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Na-2H"	20.974666
"103902"	613.118763	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M-H+Cl"	33.962126
"544555"	911.187613	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M-H+Cl"	33.962126
"932966"	315.049913	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-H+Cl"	33.962126
"273348"	1227.244802	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+Cl"	34.969402
"663219"	1823.382502	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+Cl"	34.969402
"1278535"	631.107102	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Cl"	34.969402
"20728"	1229.224006	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M-2H+K"	36.948606
"461386"	1825.361706	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M-2H+K"	36.948606
"839193"	633.086306	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-2H+K"	36.948606
"1569613"	633.086306	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+K-2H"	36.948606
"956038"	641.135894	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-H+HCOOH"	44.998194
"376200"	1237.273601	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+HCOOH-H"	44.998201
"359594"	1251.289251	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+Hac-H"	59.013851
"1502598"	655.151551	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Hac-H"	59.013851
"964669"	663.117851	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-H+NaCOOH"	66.980151
"119787"	631.107102	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+2Cl"	69.938804
"560806"	929.175952	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+2Cl"	69.938804
"1036164"	333.038252	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2Cl"	69.938804
"1255381"	675.056585	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Br"	78.918885
"1317460"	677.112572	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Cl+HCOOH"	80.974872
"1330215"	699.094529	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Cl+NaCOOH"	102.956829
"919085"	709.123286	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M-H+CF3COOH"	112.985586
"1296888"	745.099964	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Cl+CF3COOH"	148.962264
"1378338"	561.125024	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H-2H2O"	-35.012676
"1393645"	579.135	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H-H2O"	-17.0027
"294424"	1193.282676	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+H"	1.007276
"687942"	1789.420376	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+H"	1.007276
"1361010"	597.144976	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H"	1.007276
"137182"	597.144976	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+2H"	2.014552
"576743"	895.213826	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+2H"	2.014552
"1049186"	299.076126	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2H"	2.014552
"215627"	398.432409333333	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+3H"	3.021828
"654825"	597.144976	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+3H"	3.021828
"1173312"	199.719842666667	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+3H"	3.021828
"434398"	1210.309223	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+NH4"	18.033823
"800868"	1806.446923	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+NH4"	18.033823
"1692827"	614.171523	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+NH4"	18.033823
"344019"	605.6582495	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+H+NH4"	19.041099
"733523"	903.7270995	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+H+NH4"	19.041099
"1491353"	307.5893995	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H+NH4"	19.041099
"404931"	1215.264618	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+Na"	22.989218
"767019"	1811.402318	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+Na"	22.989218
"1612932"	619.126918	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Na"	22.989218
"321875"	608.135947	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+H+Na"	23.996494
"708829"	906.204797	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+H+Na"	23.996494
"1462650"	310.067097	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H+Na"	23.996494
"1055896"	207.047156666667	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2H+Na"	25.00377
"1260851"	629.171186	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+CH3OH+H"	33.033486
"381612"	1231.238558	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+K"	38.963158
"746982"	1827.376258	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+K"	38.963158
"1540409"	635.100858	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+K"	38.963158
"301111"	616.122917	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+H+K"	39.970434
"703019"	914.191767	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+H+K"	39.970434
"1456836"	318.054067	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H+K"	39.970434
"245439"	1234.309226	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+ACN+H"	42.033826
"1221428"	638.171526	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+ACN+H"	42.033826
"1204222"	319.589401	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+ACN+2H"	43.041102
"193812"	1237.24656	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+2Na-H"	44.97116
"632278"	1833.38426	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+2Na-H"	44.97116
"1133962"	641.10886	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2Na-H"	44.97116
"185640"	619.126918	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+2Na"	45.978436
"623746"	917.195768	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+2Na"	45.978436
"1127252"	321.058068	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2Na"	45.978436
"1404578"	214.374470666667	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H+2Na"	46.985712
"1441798"	643.150446	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H+HCOOH"	47.012746
"232950"	624.15994	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+3H2O+2H"	56.04448
"1519191"	657.20249	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+IsoProp+H"	61.06479
"419605"	627.113888	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+Na+K"	61.952376
"778414"	925.182738	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+Na+K"	61.952376
"1670369"	329.045038	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Na+K"	61.952376
"254701"	1256.291168	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+ACN+Na"	64.015768
"1229597"	660.153468	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+ACN+Na"	64.015768
"1715202"	660.176993	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+NH4+HCOOH"	64.039293
"1180557"	221.701784666667	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+3Na"	68.967654
"1655918"	665.132388	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Na+HCOOH"	68.994688
"158762"	1269.19444	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+2K-H"	76.91904
"597596"	1865.33214	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+2K-H"	76.91904
"1094882"	673.05674	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2K-H"	76.91904
"154247"	635.100858	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"2M+2K"	77.926316
"595991"	933.169708	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"3M+2K"	77.926316
"1080867"	337.032008	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2K"	77.926316
"1108607"	675.071292	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2K+H"	78.933592
"1341712"	675.158907	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+DMSO+H"	79.021207
"1014618"	679.198076	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2ACN+H"	83.060376
"1532743"	680.191708	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+IsoProp+Na+H"	84.054008
"993723"	340.102676	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+2ACN+2H"	84.067652
"1596977"	681.106328	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+K+HCOOH"	84.968628
"1421542"	711.137838	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+H+CF3COOH"	115.000138
"1150734"	360.615951	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+3ACN+2H"	125.094202
"1701380"	728.164385	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+NH4+CF3COOH"	132.026685
"1635939"	733.11978	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+Na+CF3COOH"	136.98208
"1573777"	749.09372	"C12637"	"Quercetin 3-O-beta-D-xylosyl-(1-2)-beta-D-glucoside"	"C26H28O16"	"596.1377"	"M+K+CF3COOH"	152.95602
"804143"	550.0959	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M"	0
"977676"	531.07751	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-H2O-H"	-19.01839
"70293"	365.723324	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M-3H"	-3.021828
"515319"	549.088624	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M-3H"	-3.021828
"885466"	182.358024	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-3H"	-3.021828
"10603"	549.088624	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M-2H"	-2.014552
"444696"	824.136574	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M-2H"	-2.014552
"824685"	274.040674	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-2H"	-2.014552
"91250"	1099.184524	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M-H"	-1.007276
"526435"	1649.280424	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M-H"	-1.007276
"904235"	549.088624	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-H"	-1.007276
"55327"	1116.211071	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M-2H+NH4"	16.019271
"494888"	1666.306971	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M-2H+NH4"	16.019271
"869042"	566.115171	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-2H+NH4"	16.019271
"36579"	1121.166466	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M-2H+Na"	20.974666
"475408"	1671.262366	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M-2H+Na"	20.974666
"853578"	571.070566	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-2H+Na"	20.974666
"1624203"	571.070566	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Na-2H"	20.974666
"100731"	567.076963	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M-H+Cl"	33.962126
"543572"	842.124913	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M-H+Cl"	33.962126
"935992"	292.029013	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-H+Cl"	33.962126
"274550"	1135.161202	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+Cl"	34.969402
"665878"	1685.257102	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+Cl"	34.969402
"1276094"	585.065302	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Cl"	34.969402
"17558"	1137.140406	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M-2H+K"	36.948606
"462588"	1687.236306	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M-2H+K"	36.948606
"845866"	587.044506	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-2H+K"	36.948606
"1571221"	587.044506	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+K-2H"	36.948606
"957489"	595.094094	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-H+HCOOH"	44.998194
"374730"	1145.190001	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+HCOOH-H"	44.998201
"359950"	1159.205651	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+Hac-H"	59.013851
"1503803"	609.109751	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Hac-H"	59.013851
"969155"	617.076051	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-H+NaCOOH"	66.980151
"123178"	585.065302	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+2Cl"	69.938804
"559823"	860.113252	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+2Cl"	69.938804
"1027529"	310.017352	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2Cl"	69.938804
"1249293"	629.014785	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Br"	78.918885
"1318300"	631.070772	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Cl+HCOOH"	80.974872
"1333971"	653.052729	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Cl+NaCOOH"	102.956829
"923207"	663.081486	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M-H+CF3COOH"	112.985586
"1301009"	699.058164	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Cl+CF3COOH"	148.962264
"1376260"	515.083224	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H-2H2O"	-35.012676
"1393755"	533.0932	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H-H2O"	-17.0027
"297086"	1101.199076	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+H"	1.007276
"686595"	1651.294976	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+H"	1.007276
"1363307"	551.103176	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H"	1.007276
"136199"	551.103176	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+2H"	2.014552
"577947"	826.151126	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+2H"	2.014552
"1047839"	276.055226	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2H"	2.014552
"214280"	367.737876	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+3H"	3.021828
"656028"	551.103176	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+3H"	3.021828
"1174516"	184.372576	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+3H"	3.021828
"433415"	1118.225623	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+NH4"	18.033823
"798427"	1668.321523	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+NH4"	18.033823
"1691843"	568.129723	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+NH4"	18.033823
"343036"	559.6164495	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+H+NH4"	19.041099
"735821"	834.6643995	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+H+NH4"	19.041099
"1491952"	284.5684995	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H+NH4"	19.041099
"408395"	1123.181018	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+Na"	22.989218
"769683"	1673.276918	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+Na"	22.989218
"1613042"	573.085118	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Na"	22.989218
"321985"	562.094147	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+H+Na"	23.996494
"708940"	837.142097	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+H+Na"	23.996494
"1464947"	287.046197	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H+Na"	23.996494
"1061473"	191.69989	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2H+Na"	25.00377
"1264241"	583.129386	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+CH3OH+H"	33.033486
"383908"	1139.154958	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+K"	38.963158
"747092"	1689.250858	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+K"	38.963158
"1541859"	589.059058	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+K"	38.963158
"304137"	570.081117	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+H+K"	39.970434
"702038"	845.129067	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+H+K"	39.970434
"1458046"	295.033167	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H+K"	39.970434
"246646"	1142.225626	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+ACN+H"	42.033826
"1220445"	592.129726	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+ACN+H"	42.033826
"1205426"	296.568501	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+ACN+2H"	43.041102
"196110"	1145.16296	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+2Na-H"	44.97116
"640045"	1695.25886	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+2Na-H"	44.97116
"1134072"	595.06706	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2Na-H"	44.97116
"186114"	573.085118	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+2Na"	45.978436
"625679"	848.133068	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+2Na"	45.978436
"1129184"	298.037168	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2Na"	45.978436
"1410885"	199.027204	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H+2Na"	46.985712
"1444706"	597.108646	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H+HCOOH"	47.012746
"234643"	578.11814	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+3H2O+2H"	56.04448
"1522827"	611.16069	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+IsoProp+H"	61.06479
"421902"	581.072088	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+Na+K"	61.952376
"780710"	856.120038	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+Na+K"	61.952376
"1673760"	306.024138	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Na+K"	61.952376
"258093"	1164.207568	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+ACN+Na"	64.015768
"1232989"	614.111668	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+ACN+Na"	64.015768
"1720780"	614.135193	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+NH4+HCOOH"	64.039293
"1182854"	206.354518	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+3Na"	68.967654
"1659308"	619.090588	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Na+HCOOH"	68.994688
"161792"	1177.11084	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+2K-H"	76.91904
"601351"	1727.20674	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+2K-H"	76.91904
"1095718"	627.01494	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2K-H"	76.91904
"153992"	589.059058	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"2M+2K"	77.926316
"590998"	864.107008	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"3M+2K"	77.926316
"1080978"	314.011108	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2K"	77.926316
"1113091"	629.029492	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2K+H"	78.933592
"1344009"	629.117107	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+DMSO+H"	79.021207
"1013635"	633.156276	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2ACN+H"	83.060376
"1533946"	634.149908	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+IsoProp+Na+H"	84.054008
"994926"	317.081776	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+2ACN+2H"	84.067652
"1595994"	635.064528	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+K+HCOOH"	84.968628
"1422745"	665.096038	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+H+CF3COOH"	115.000138
"1154125"	337.595051	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+3ACN+2H"	125.094202
"1703677"	682.122585	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+NH4+CF3COOH"	132.026685
"1637139"	687.07798	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+Na+CF3COOH"	136.98208
"1573887"	703.05192	"C12638"	"Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);Quercetin 3-O-malonylglucoside;Quercetin-3-O-(6-malonylglucoside)"	"C24H22O15"	"550.0959"	"M+K+CF3COOH"	152.95602
"813004"	464.0955	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M"	0
"984350"	445.07711	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H2O-H"	-19.01839
"67123"	308.389724	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-3H"	-3.021828
"506682"	463.088224	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-3H"	-3.021828
"880595"	153.691224	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-3H"	-3.021828
"1967"	463.088224	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H"	-2.014552
"442619"	695.135974	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H"	-2.014552
"819326"	231.040474	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H"	-2.014552
"85892"	927.183724	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-H"	-1.007276
"525450"	1391.279224	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-H"	-1.007276
"901063"	463.088224	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H"	-1.007276
"56533"	944.210271	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+NH4"	16.019271
"496093"	1408.305771	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+NH4"	16.019271
"869520"	480.114771	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H+NH4"	16.019271
"33774"	949.165666	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+Na"	20.974666
"473698"	1413.261166	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+Na"	20.974666
"850770"	485.070166	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H+Na"	20.974666
"1620305"	485.070166	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na-2H"	20.974666
"100843"	481.076563	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-H+Cl"	33.962126
"537123"	713.124313	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-H+Cl"	33.962126
"932823"	249.028813	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+Cl"	33.962126
"273567"	963.160402	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Cl"	34.969402
"663802"	1427.255902	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+Cl"	34.969402
"1275111"	499.064902	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl"	34.969402
"16451"	965.139606	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+K"	36.948606
"458690"	1429.235106	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+K"	36.948606
"844883"	501.044106	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H+K"	36.948606
"1570930"	501.044106	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K-2H"	36.948606
"956623"	509.093694	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+HCOOH"	44.998194
"374477"	973.189201	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+HCOOH-H"	44.998201
"359451"	987.204851	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Hac-H"	59.013851
"1504643"	523.109351	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Hac-H"	59.013851
"970724"	531.075651	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+NaCOOH"	66.980151
"123288"	499.064902	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2Cl"	69.938804
"559933"	731.112652	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2Cl"	69.938804
"1033834"	267.017152	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2Cl"	69.938804
"1248309"	543.014385	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Br"	78.918885
"1318779"	545.070372	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+HCOOH"	80.974872
"1334083"	567.052329	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+NaCOOH"	102.956829
"921495"	577.081086	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+CF3COOH"	112.985586
"1300757"	613.057764	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+CF3COOH"	148.962264
"1376370"	429.082824	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H-2H2O"	-35.012676
"1396052"	447.0928	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H-H2O"	-17.0027
"297560"	929.198276	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H"	1.007276
"687069"	1393.293776	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H"	1.007276
"1361229"	465.102776	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H"	1.007276
"136309"	465.102776	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2H"	2.014552
"579152"	697.150526	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2H"	2.014552
"1051232"	233.055026	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2H"	2.014552
"216945"	310.404276	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+3H"	3.021828
"655409"	465.102776	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+3H"	3.021828
"1172441"	155.705776	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+3H"	3.021828
"433525"	946.224823	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+NH4"	18.033823
"796713"	1410.320323	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+NH4"	18.033823
"1693410"	482.129323	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+NH4"	18.033823
"342417"	473.6160495	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H+NH4"	19.041099
"733744"	705.6637995	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H+NH4"	19.041099
"1490844"	241.5682995	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+NH4"	19.041099
"401872"	951.180218	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Na"	22.989218
"763960"	1415.275718	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+Na"	22.989218
"1613152"	487.084718	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na"	22.989218
"321001"	476.093747	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H+Na"	23.996494
"713423"	708.141497	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H+Na"	23.996494
"1466151"	244.045997	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+Na"	23.996494
"1062676"	163.03309	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2H+Na"	25.00377
"1262164"	497.128986	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+CH3OH+H"	33.033486
"380009"	967.154158	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+K"	38.963158
"743921"	1431.249658	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+K"	38.963158
"1542699"	503.058658	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K"	38.963158
"301331"	484.080717	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H+K"	39.970434
"696668"	716.128467	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H+K"	39.970434
"1459250"	252.032967	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+K"	39.970434
"246757"	970.224826	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+ACN+H"	42.033826
"1219462"	506.129326	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+H"	42.033826
"1205536"	253.568301	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+2H"	43.041102
"201690"	973.16216	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2Na-H"	44.97116
"641614"	1437.25766	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2Na-H"	44.97116
"1136005"	509.06666	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2Na-H"	44.97116
"185861"	487.084718	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2Na"	45.978436
"625789"	719.132468	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2Na"	45.978436
"1127472"	255.036968	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2Na"	45.978436
"1410631"	170.360404	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+2Na"	46.985712
"1443112"	511.108246	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+HCOOH"	47.012746
"234630"	492.11774	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+3H2O+2H"	56.04448
"1519775"	525.16029	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+IsoProp+H"	61.06479
"422377"	495.071688	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Na+K"	61.952376
"780820"	727.119438	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+Na+K"	61.952376
"1673870"	263.023938	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na+K"	61.952376
"259296"	992.206768	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+ACN+Na"	64.015768
"1233099"	528.111268	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+Na"	64.015768
"1721984"	528.134793	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+NH4+HCOOH"	64.039293
"1181870"	177.687718	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+3Na"	68.967654
"1658325"	533.090188	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na+HCOOH"	68.994688
"162995"	1005.11004	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2K-H"	76.91904
"611310"	1469.20554	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2K-H"	76.91904
"1097649"	541.01454	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2K-H"	76.91904
"148268"	503.058658	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2K"	77.926316
"591108"	735.106408	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2K"	77.926316
"1077807"	271.010908	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2K"	77.926316
"1109921"	543.029092	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2K+H"	78.933592
"1344119"	543.116707	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+DMSO+H"	79.021207
"1012647"	547.155876	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2ACN+H"	83.060376
"1532963"	548.149508	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+IsoProp+Na+H"	84.054008
"999415"	274.081576	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2ACN+2H"	84.067652
"1599751"	549.064128	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K+HCOOH"	84.968628
"1422855"	579.095638	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+CF3COOH"	115.000138
"1156424"	294.594851	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+3ACN+2H"	125.094202
"1701601"	596.122185	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+NH4+CF3COOH"	132.026685
"1636158"	601.07758	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na+CF3COOH"	136.98208
"1575090"	617.05152	"C12639"	"Quercimeritrin;Quercetin 7-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K+CF3COOH"	152.95602
"801420"	757.198	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M"	0
"977898"	738.17961	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-H2O-H"	-19.01839
"67233"	503.791390666667	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M-3H"	-3.021828
"503512"	756.190724	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M-3H"	-3.021828
"880585"	251.392057333333	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-3H"	-3.021828
"739"	756.190724	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M-2H"	-2.014552
"441636"	1134.789724	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M-2H"	-2.014552
"819800"	377.591724	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-2H"	-2.014552
"86002"	1513.388724	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M-H"	-1.007276
"525559"	2270.586724	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M-H"	-1.007276
"902266"	756.190724	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-H"	-1.007276
"59801"	1530.415271	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M-2H+NH4"	16.019271
"497296"	2287.613271	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M-2H+NH4"	16.019271
"869630"	773.217271	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-2H+NH4"	16.019271
"33156"	1535.370666	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M-2H+Na"	20.974666
"472715"	2292.568666	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M-2H+Na"	20.974666
"850515"	778.172666	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-2H+Na"	20.974666
"1620779"	778.172666	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Na-2H"	20.974666
"98766"	774.179063	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M-H+Cl"	33.962126
"537233"	1152.778063	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M-H+Cl"	33.962126
"929653"	395.580063	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-H+Cl"	33.962126
"273678"	1549.365402	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+Cl"	34.969402
"662818"	2306.563402	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+Cl"	34.969402
"1275222"	792.167402	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Cl"	34.969402
"17047"	1551.344606	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M-2H+K"	36.948606
"457700"	2308.542606	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M-2H+K"	36.948606
"844993"	794.146606	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-2H+K"	36.948606
"1570801"	794.146606	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+K-2H"	36.948606
"957464"	802.196194	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-H+HCOOH"	44.998194
"375315"	1559.394201	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+HCOOH-H"	44.998201
"358468"	1573.409851	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+Hac-H"	59.013851
"1506575"	816.211851	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Hac-H"	59.013851
"970835"	824.178151	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-H+NaCOOH"	66.980151
"124855"	792.167402	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+2Cl"	69.938804
"561136"	1170.766402	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+2Cl"	69.938804
"1032119"	413.568402	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2Cl"	69.938804
"1246233"	836.116885	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Br"	78.918885
"1318157"	838.172872	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Cl+HCOOH"	80.974872
"1333828"	860.154829	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Cl+NaCOOH"	102.956829
"920512"	870.183586	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M-H+CF3COOH"	112.985586
"1301231"	906.160264	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Cl+CF3COOH"	148.962264
"1376480"	722.185324	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H-2H2O"	-35.012676
"1393976"	740.1953	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H-H2O"	-17.0027
"296941"	1515.403276	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+H"	1.007276
"684992"	2272.601276	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+H"	1.007276
"1360246"	758.205276	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H"	1.007276
"135326"	758.205276	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+2H"	2.014552
"578168"	1136.804276	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+2H"	2.014552
"1049155"	379.606276	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2H"	2.014552
"217055"	505.805942666667	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+3H"	3.021828
"655518"	758.205276	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+3H"	3.021828
"1173644"	253.406609333333	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+3H"	3.021828
"433635"	1532.429823	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+NH4"	18.033823
"794637"	2289.627823	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+NH4"	18.033823
"1692062"	775.231823	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+NH4"	18.033823
"340341"	766.7185495	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+H+NH4"	19.041099
"729481"	1145.3175495	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+H+NH4"	19.041099
"1486581"	388.1195495	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H+NH4"	19.041099
"403074"	1537.385218	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+Na"	22.989218
"764070"	2294.583218	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+Na"	22.989218
"1606701"	780.187218	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Na"	22.989218
"318924"	769.196247	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+H+Na"	23.996494
"713533"	1147.795247	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+H+Na"	23.996494
"1465894"	390.597247	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H+Na"	23.996494
"1055129"	260.733923333333	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2H+Na"	25.00377
"1261544"	790.231486	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+CH3OH+H"	33.033486
"380119"	1553.359158	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+K"	38.963158
"743301"	2310.557158	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+K"	38.963158
"1542807"	796.161158	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+K"	38.963158
"300711"	777.183217	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+H+K"	39.970434
"696778"	1155.782217	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+H+K"	39.970434
"1459361"	398.584217	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H+K"	39.970434
"245774"	1556.429826	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+ACN+H"	42.033826
"1218479"	799.231826	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+ACN+H"	42.033826
"1207835"	400.119551	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+ACN+2H"	43.041102
"201799"	1559.36716	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+2Na-H"	44.97116
"640266"	2316.56516	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+2Na-H"	44.97116
"1135750"	802.16916	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2Na-H"	44.97116
"186335"	780.187218	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+2Na"	45.978436
"625899"	1158.786218	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+2Na"	45.978436
"1128311"	401.588218	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2Na"	45.978436
"1413618"	268.061237333333	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H+2Na"	46.985712
"1445577"	804.210746	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H+HCOOH"	47.012746
"235592"	785.22024	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+3H2O+2H"	56.04448
"1522437"	818.26279	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+IsoProp+H"	61.06479
"422852"	788.174188	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+Na+K"	61.952376
"781659"	1166.773188	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+Na+K"	61.952376
"1672887"	409.575188	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Na+K"	61.952376
"258313"	1578.411768	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+ACN+Na"	64.015768
"1234302"	821.213768	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+ACN+Na"	64.015768
"1724280"	821.237293	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+NH4+HCOOH"	64.039293
"1181980"	275.388551333333	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+3Na"	68.967654
"1659528"	826.192688	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Na+HCOOH"	68.994688
"159097"	1591.31504	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+2K-H"	76.91904
"611420"	2348.51304	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+2K-H"	76.91904
"1097029"	834.11704	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2K-H"	76.91904
"144005"	796.161158	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"2M+2K"	77.926316
"590124"	1174.760158	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"3M+2K"	77.926316
"1077917"	417.562158	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2K"	77.926316
"1112217"	836.131592	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2K+H"	78.933592
"1345322"	836.219207	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+DMSO+H"	79.021207
"1016037"	840.258376	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2ACN+H"	83.060376
"1534163"	841.252008	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+IsoProp+Na+H"	84.054008
"997333"	420.632826	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+2ACN+2H"	84.067652
"1600589"	842.166628	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+K+HCOOH"	84.968628
"1424058"	872.198138	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+H+CF3COOH"	115.000138
"1157627"	441.146101	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+3ACN+2H"	125.094202
"1701711"	889.224685	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+NH4+CF3COOH"	132.026685
"1636631"	894.18008	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+Na+CF3COOH"	136.98208
"1575200"	910.15402	"C12640"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;Bisdemalonylsalvianin"	"C36H37O18"	"757.198"	"M+K+CF3COOH"	152.95602
"801835"	843.1984	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M"	0
"978008"	824.18001	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-H2O-H"	-19.01839
"67343"	561.124990666667	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M-3H"	-3.021828
"505809"	842.191124	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M-3H"	-3.021828
"880285"	280.058857333333	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-3H"	-3.021828
"358"	842.191124	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M-2H"	-2.014552
"441746"	1263.790324	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M-2H"	-2.014552
"819548"	420.591924	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-2H"	-2.014552
"89028"	1685.389524	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M-H"	-1.007276
"523483"	2528.587924	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M-H"	-1.007276
"901283"	842.191124	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-H"	-1.007276
"56753"	1702.416071	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M-2H+NH4"	16.019271
"495219"	2545.614471	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M-2H+NH4"	16.019271
"866461"	859.217671	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-2H+NH4"	16.019271
"32173"	1707.371466	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M-2H+Na"	20.974666
"472214"	2550.569866	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M-2H+Na"	20.974666
"848925"	864.173066	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-2H+Na"	20.974666
"1619068"	864.173066	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Na-2H"	20.974666
"95596"	860.179463	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M-H+Cl"	33.962126
"534788"	1281.778663	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M-H+Cl"	33.962126
"929764"	438.580263	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-H+Cl"	33.962126
"277068"	1721.366202	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+Cl"	34.969402
"660863"	2564.564602	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+Cl"	34.969402
"1273629"	878.167802	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Cl"	34.969402
"16345"	1723.345406	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M-2H+K"	36.948606
"457688"	2566.543806	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M-2H+K"	36.948606
"845832"	880.147006	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-2H+K"	36.948606
"1570420"	880.147006	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+K-2H"	36.948606
"956115"	888.196594	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-H+HCOOH"	44.998194
"375054"	1731.395001	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+HCOOH-H"	44.998201
"358214"	1745.410651	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+Hac-H"	59.013851
"1507420"	902.212251	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Hac-H"	59.013851
"970944"	910.178551	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-H+NaCOOH"	66.980151
"123141"	878.167802	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+2Cl"	69.938804
"560153"	1299.767002	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+2Cl"	69.938804
"1031502"	456.568602	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2Cl"	69.938804
"1246343"	922.117285	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Br"	78.918885
"1317902"	924.173272	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Cl+HCOOH"	80.974872
"1334303"	946.155229	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Cl+NaCOOH"	102.956829
"923538"	956.183986	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M-H+CF3COOH"	112.985586
"1301341"	992.160664	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Cl+CF3COOH"	148.962264
"1376590"	808.185724	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H-2H2O"	-35.012676
"1396272"	826.1957	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H-H2O"	-17.0027
"294866"	1687.404076	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+H"	1.007276
"684009"	2530.602476	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+H"	1.007276
"1360356"	844.205676	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H"	1.007276
"136530"	844.205676	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+2H"	2.014552
"577185"	1265.804876	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+2H"	2.014552
"1050359"	422.606476	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2H"	2.014552
"216072"	563.139542666667	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+3H"	3.021828
"654535"	844.205676	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+3H"	3.021828
"1175941"	282.073409333333	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+3H"	3.021828
"437026"	1704.430623	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+NH4"	18.033823
"794747"	2547.629023	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+NH4"	18.033823
"1689984"	861.232223	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+NH4"	18.033823
"341544"	852.7189495	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+H+NH4"	19.041099
"725945"	1274.3181495	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+H+NH4"	19.041099
"1485597"	431.1197495	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H+NH4"	19.041099
"398810"	1709.386018	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+Na"	22.989218
"764179"	2552.584418	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+Na"	22.989218
"1610090"	866.187618	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Na"	22.989218
"324501"	855.196647	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+H+Na"	23.996494
"713644"	1276.795847	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+H+Na"	23.996494
"1467463"	433.597447	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H+Na"	23.996494
"1061800"	289.400723333333	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2H+Na"	25.00377
"1266758"	876.231886	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+CH3OH+H"	33.033486
"383146"	1725.359958	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+K"	38.963158
"749608"	2568.558358	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+K"	38.963158
"1541826"	882.161558	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+K"	38.963158
"301187"	863.183617	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+H+K"	39.970434
"696888"	1284.782817	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+H+K"	39.970434
"1459107"	441.584417	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H+K"	39.970434
"246613"	1728.430626	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+ACN+H"	42.033826
"1217496"	885.232226	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+ACN+H"	42.033826
"1206489"	443.119751	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+ACN+2H"	43.041102
"199721"	1731.36796	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+2Na-H"	44.97116
"640376"	2574.56636	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+2Na-H"	44.97116
"1135131"	888.16956	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2Na-H"	44.97116
"183891"	866.187618	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+2Na"	45.978436
"626009"	1287.786818	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+2Na"	45.978436
"1129514"	444.588418	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2Na"	45.978436
"1413647"	296.728037333333	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H+2Na"	46.985712
"1445486"	890.211146	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H+HCOOH"	47.012746
"235093"	871.22064	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+3H2O+2H"	56.04448
"1521454"	904.26319	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+IsoProp+H"	61.06479
"422962"	874.174588	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+Na+K"	61.952376
"778853"	1295.773788	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+Na+K"	61.952376
"1672997"	452.575388	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Na+K"	61.952376
"256236"	1750.412568	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+ACN+Na"	64.015768
"1231132"	907.214168	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+ACN+Na"	64.015768
"1720018"	907.237693	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+NH4+HCOOH"	64.039293
"1180997"	304.055351333333	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+3Na"	68.967654
"1656358"	912.193088	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Na+HCOOH"	68.994688
"159205"	1763.31584	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+2K-H"	76.91904
"608250"	2606.51424	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+2K-H"	76.91904
"1097138"	920.11744	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2K-H"	76.91904
"151768"	882.161558	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"2M+2K"	77.926316
"591327"	1303.760758	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"3M+2K"	77.926316
"1075839"	460.562358	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2K"	77.926316
"1110140"	922.131992	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2K+H"	78.933592
"1345433"	922.219607	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+DMSO+H"	79.021207
"1010679"	926.258776	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2ACN+H"	83.060376
"1533179"	927.252408	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+IsoProp+Na+H"	84.054008
"997443"	463.633026	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+2ACN+2H"	84.067652
"1599605"	928.167028	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+K+HCOOH"	84.968628
"1426355"	958.198538	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+H+CF3COOH"	115.000138
"1156644"	484.146301	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+3ACN+2H"	125.094202
"1700728"	975.225085	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+NH4+CF3COOH"	132.026685
"1636377"	980.18048	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+Na+CF3COOH"	136.98208
"1576404"	996.15442	"C12641"	"4-Demalonylsalvianin;Monodemalonylsalvianin"	"C39H39O21"	"843.1984"	"M+K+CF3COOH"	152.95602
"803490"	519.1139	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M"	0
"981398"	500.09551	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-H2O-H"	-19.01839
"65630"	345.068657333333	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M-3H"	-3.021828
"505190"	518.106624	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M-3H"	-3.021828
"881655"	172.030690666667	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-3H"	-3.021828
"836"	518.106624	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M-2H"	-2.014552
"444043"	777.663574	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M-2H"	-2.014552
"821844"	258.549674	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-2H"	-2.014552
"86222"	1037.220524	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M-H"	-1.007276
"524686"	1556.334424	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M-H"	-1.007276
"898113"	518.106624	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-H"	-1.007276
"53583"	1054.247071	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M-2H+NH4"	16.019271
"493142"	1573.360971	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M-2H+NH4"	16.019271
"867664"	535.133171	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-2H+NH4"	16.019271
"33129"	1059.202466	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M-2H+Na"	20.974666
"472692"	1578.316366	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M-2H+Na"	20.974666
"851829"	540.088566	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-2H+Na"	20.974666
"1621363"	540.088566	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Na-2H"	20.974666
"97893"	536.094963	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M-H+Cl"	33.962126
"538546"	795.651913	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M-H+Cl"	33.962126
"929875"	276.538013	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-H+Cl"	33.962126
"277178"	1073.197202	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+Cl"	34.969402
"661216"	1592.311102	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+Cl"	34.969402
"1274468"	554.083302	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Cl"	34.969402
"18237"	1075.176406	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M-2H+K"	36.948606
"458648"	1594.290306	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M-2H+K"	36.948606
"846671"	556.062506	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-2H+K"	36.948606
"1570165"	556.062506	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+K-2H"	36.948606
"956589"	564.112094	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-H+HCOOH"	44.998194
"375529"	1083.226001	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+HCOOH-H"	44.998201
"357954"	1097.241651	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+Hac-H"	59.013851
"1507772"	578.127751	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Hac-H"	59.013851
"970690"	586.094051	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-H+NaCOOH"	66.980151
"123612"	554.083302	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+2Cl"	69.938804
"563907"	813.640252	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+2Cl"	69.938804
"1036556"	294.526352	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2Cl"	69.938804
"1256618"	598.032785	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Br"	78.918885
"1319105"	600.088772	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Cl+HCOOH"	80.974872
"1328582"	622.070729	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Cl+NaCOOH"	102.956829
"925350"	632.099486	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M-H+CF3COOH"	112.985586
"1304131"	668.076164	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Cl+CF3COOH"	148.962264
"1377794"	484.101224	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H-2H2O"	-35.012676
"1397964"	502.1112	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H-H2O"	-17.0027
"296920"	1039.235076	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+H"	1.007276
"687399"	1558.348976	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+H"	1.007276
"1360466"	520.121176	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H"	1.007276
"138824"	520.121176	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+2H"	2.014552
"579481"	779.678126	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+2H"	2.014552
"1051562"	260.564226	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2H"	2.014552
"218367"	347.083209333333	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+3H"	3.021828
"656831"	520.121176	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+3H"	3.021828
"1177873"	174.045242666667	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+3H"	3.021828
"430574"	1056.261623	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+NH4"	18.033823
"797043"	1575.375523	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+NH4"	18.033823
"1692280"	537.147723	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+NH4"	18.033823
"341654"	528.6344495	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+H+NH4"	19.041099
"729336"	788.1913995	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+H+NH4"	19.041099
"1487894"	269.0774995	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H+NH4"	19.041099
"401107"	1061.217018	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+Na"	22.989218
"764289"	1580.330918	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+Na"	22.989218
"1610200"	542.103118	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Na"	22.989218
"326798"	531.112147	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+H+Na"	23.996494
"712661"	790.669097	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+H+Na"	23.996494
"1468666"	271.555197	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H+Na"	23.996494
"1064097"	181.372556666667	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2H+Na"	25.00377
"1267962"	552.147386	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+CH3OH+H"	33.033486
"386535"	1077.190958	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+K"	38.963158
"744250"	1596.304858	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+K"	38.963158
"1541933"	558.077058	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+K"	38.963158
"302390"	539.099117	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+H+K"	39.970434
"698092"	798.656067	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+H+K"	39.970434
"1458122"	279.542167	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H+K"	39.970434
"247452"	1080.261626	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+ACN+H"	42.033826
"1218698"	561.147726	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+ACN+H"	42.033826
"1207691"	281.077501	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+ACN+2H"	43.041102
"199831"	1083.19896	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+2Na-H"	44.97116
"640486"	1602.31286	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+2Na-H"	44.97116
"1139616"	564.08506	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2Na-H"	44.97116
"184001"	542.103118	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+2Na"	45.978436
"628067"	801.660068	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+2Na"	45.978436
"1130116"	282.546168	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2Na"	45.978436
"1413761"	188.699870666667	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H+2Na"	46.985712
"1443812"	566.126646	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H+HCOOH"	47.012746
"235203"	547.13614	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+3H2O+2H"	56.04448
"1521562"	580.17869	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+IsoProp+H"	61.06479
"424083"	550.090088	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+Na+K"	61.952376
"780056"	809.647038	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+Na+K"	61.952376
"1669827"	290.533138	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Na+K"	61.952376
"259626"	1102.243568	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+ACN+Na"	64.015768
"1232335"	583.129668	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+ACN+Na"	64.015768
"1717941"	583.153193	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+NH4+HCOOH"	64.039293
"1181107"	196.027184666667	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+3Na"	68.967654
"1656468"	588.108588	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Na+HCOOH"	68.994688
"159315"	1115.14684	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+2K-H"	76.91904
"603986"	1634.26074	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+2K-H"	76.91904
"1095792"	596.03294	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2K-H"	76.91904
"151878"	558.077058	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"2M+2K"	77.926316
"590344"	817.634008	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"3M+2K"	77.926316
"1075949"	298.520108	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2K"	77.926316
"1109157"	598.047492	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2K+H"	78.933592
"1345543"	598.135107	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+DMSO+H"	79.021207
"1011883"	602.174276	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2ACN+H"	83.060376
"1530009"	603.167908	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+IsoProp+Na+H"	84.054008
"996460"	301.590776	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+2ACN+2H"	84.067652
"1597529"	604.082528	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+K+HCOOH"	84.968628
"1425372"	634.114038	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+H+CF3COOH"	115.000138
"1156754"	322.104051	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+3ACN+2H"	125.094202
"1700838"	651.140585	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+NH4+CF3COOH"	132.026685
"1635758"	656.09598	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+Na+CF3COOH"	136.98208
"1576514"	672.06992	"C12642"	"Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)"	"C24H23O13"	"519.1139"	"M+K+CF3COOH"	152.95602
"813444"	535.1088	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M"	0
"981510"	516.09041	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-H2O-H"	-19.01839
"63552"	355.731924	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M-3H"	-3.021828
"503235"	534.101524	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M-3H"	-3.021828
"880552"	177.362324	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-3H"	-3.021828
"704"	534.101524	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M-2H"	-2.014552
"441238"	801.655924	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M-2H"	-2.014552
"820865"	266.547124	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-2H"	-2.014552
"83051"	1069.210324	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M-H"	-1.007276
"521152"	1604.319124	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M-H"	-1.007276
"896113"	534.101524	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-H"	-1.007276
"53694"	1086.236871	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M-2H+NH4"	16.019271
"489122"	1621.345671	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M-2H+NH4"	16.019271
"865222"	551.128071	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-2H+NH4"	16.019271
"33609"	1091.192266	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M-2H+Na"	20.974666
"472675"	1626.301066	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M-2H+Na"	20.974666
"851938"	556.083466	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-2H+Na"	20.974666
"1619285"	556.083466	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Na-2H"	20.974666
"98004"	552.089863	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M-H+Cl"	33.962126
"535378"	819.644263	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M-H+Cl"	33.962126
"928893"	284.535463	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-H+Cl"	33.962126
"270728"	1105.187002	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+Cl"	34.969402
"660958"	1640.295802	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+Cl"	34.969402
"1273728"	570.078202	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Cl"	34.969402
"17500"	1107.166206	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M-2H+K"	36.948606
"456330"	1642.275006	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M-2H+K"	36.948606
"847145"	572.057406	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-2H+K"	36.948606
"1571206"	572.057406	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+K-2H"	36.948606
"957063"	580.106994	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-H+HCOOH"	44.998194
"375517"	1115.215801	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+HCOOH-H"	44.998201
"358428"	1129.231451	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+Hac-H"	59.013851
"1507887"	594.122651	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Hac-H"	59.013851
"971163"	602.088951	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-H+NaCOOH"	66.980151
"124941"	570.078202	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+2Cl"	69.938804
"563289"	837.632602	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+2Cl"	69.938804
"1035733"	302.523802	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2Cl"	69.938804
"1256607"	614.027685	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Br"	78.918885
"1319666"	616.083672	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Cl+HCOOH"	80.974872
"1331972"	638.065629	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Cl+NaCOOH"	102.956829
"923394"	648.094386	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M-H+CF3COOH"	112.985586
"1300467"	684.071064	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Cl+CF3COOH"	148.962264
"1381185"	500.096124	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H-2H2O"	-35.012676
"1397465"	518.1061	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H-H2O"	-17.0027
"293991"	1071.224876	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+H"	1.007276
"689694"	1606.333676	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+H"	1.007276
"1360576"	536.116076	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H"	1.007276
"136747"	536.116076	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+2H"	2.014552
"579590"	803.670476	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+2H"	2.014552
"1050578"	268.561676	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2H"	2.014552
"218356"	357.746476	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+3H"	3.021828
"658035"	536.116076	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+3H"	3.021828
"1176162"	179.376876	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+3H"	3.021828
"430684"	1088.251423	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+NH4"	18.033823
"792781"	1623.360223	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+NH4"	18.033823
"1689111"	553.142623	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+NH4"	18.033823
"338484"	544.6293495	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+H+NH4"	19.041099
"727987"	812.1837495	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+H+NH4"	19.041099
"1484724"	277.0749495	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H+NH4"	19.041099
"397937"	1093.206818	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+Na"	22.989218
"761119"	1628.315618	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+Na"	22.989218
"1614684"	558.098018	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Na"	22.989218
"323628"	547.107047	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+H+Na"	23.996494
"717144"	814.661447	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+H+Na"	23.996494
"1466590"	279.552647	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H+Na"	23.996494
"1060928"	186.70419	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2H+Na"	25.00377
"1263700"	568.142286	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+CH3OH+H"	33.033486
"383367"	1109.180758	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+K"	38.963158
"748737"	1644.289558	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+K"	38.963158
"1540951"	574.071958	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+K"	38.963158
"299708"	555.094017	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+H+K"	39.970434
"696019"	822.648417	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+H+K"	39.970434
"1457503"	287.539617	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H+K"	39.970434
"249387"	1112.251426	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+ACN+H"	42.033826
"1224043"	577.142626	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+ACN+H"	42.033826
"1204519"	289.074951	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+ACN+2H"	43.041102
"199941"	1115.18876	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+2Na-H"	44.97116
"637314"	1650.29756	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+2Na-H"	44.97116
"1144835"	580.07996	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2Na-H"	44.97116
"187766"	558.098018	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+2Na"	45.978436
"627936"	825.652418	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+2Na"	45.978436
"1130345"	290.543618	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2Na"	45.978436
"1413873"	194.031504	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H+2Na"	46.985712
"1443191"	582.121546	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H+HCOOH"	47.012746
"233977"	563.13104	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+3H2O+2H"	56.04448
"1522402"	596.17359	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+IsoProp+H"	61.06479
"423180"	566.084988	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+Na+K"	61.952376
"782353"	833.639388	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+Na+K"	61.952376
"1673217"	298.530588	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Na+K"	61.952376
"263018"	1134.233368	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+ACN+Na"	64.015768
"1236821"	599.124568	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+ACN+Na"	64.015768
"1725706"	599.148093	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+NH4+HCOOH"	64.039293
"1187780"	201.358818	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+3Na"	68.967654
"1659858"	604.103488	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Na+HCOOH"	68.994688
"170734"	1147.13664	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+2K-H"	76.91904
"609571"	1682.24544	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+2K-H"	76.91904
"1096994"	612.02784	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2K-H"	76.91904
"153081"	574.071958	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"2M+2K"	77.926316
"594591"	841.626358	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"3M+2K"	77.926316
"1080439"	306.517558	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2K"	77.926316
"1111457"	614.042392	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2K+H"	78.933592
"1347480"	614.130007	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+DMSO+H"	79.021207
"1015278"	618.169176	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2ACN+H"	83.060376
"1536683"	619.162808	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+IsoProp+Na+H"	84.054008
"1000947"	309.588226	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+2ACN+2H"	84.067652
"1598728"	620.077428	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+K+HCOOH"	84.968628
"1425482"	650.108938	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+H+CF3COOH"	115.000138
"1153583"	330.101501	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+3ACN+2H"	125.094202
"1700945"	667.135485	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+NH4+CF3COOH"	132.026685
"1636598"	672.09088	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+Na+CF3COOH"	136.98208
"1576624"	688.06482	"C12643"	"Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);Cyanidin 3-O-(6-O-malonylglucoside);Cyanidin-3-(6-malonylglucoside)"	"C24H23O14"	"535.1088"	"M+K+CF3COOH"	152.95602
"804803"	579.1714	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M"	0
"980527"	560.15301	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-H2O-H"	-19.01839
"69861"	385.106990666667	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M-3H"	-3.021828
"502964"	578.164124	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M-3H"	-3.021828
"880662"	192.049857333333	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-3H"	-3.021828
"1424"	578.164124	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M-2H"	-2.014552
"443170"	867.749824	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M-2H"	-2.014552
"817488"	288.578424	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-2H"	-2.014552
"86441"	1157.335524	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M-H"	-1.007276
"523814"	1736.506924	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M-H"	-1.007276
"898334"	578.164124	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-H"	-1.007276
"52711"	1174.362071	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M-2H+NH4"	16.019271
"491177"	1753.533471	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M-2H+NH4"	16.019271
"865089"	595.190671	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-2H+NH4"	16.019271
"31774"	1179.317466	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M-2H+Na"	20.974666
"471544"	1758.488866	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M-2H+Na"	20.974666
"850956"	600.146066	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-2H+Na"	20.974666
"1618709"	600.146066	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Na-2H"	20.974666
"95927"	596.152463	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M-H+Cl"	33.962126
"536582"	885.738163	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M-H+Cl"	33.962126
"931189"	306.566763	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-H+Cl"	33.962126
"270838"	1193.312202	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+Cl"	34.969402
"662165"	1772.483602	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+Cl"	34.969402
"1281130"	614.140802	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Cl"	34.969402
"24779"	1195.291406	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M-2H+K"	36.948606
"461058"	1774.462806	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M-2H+K"	36.948606
"845432"	616.120006	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-2H+K"	36.948606
"1566732"	616.120006	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+K-2H"	36.948606
"955709"	624.169594	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-H+HCOOH"	44.998194
"371739"	1203.341001	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+HCOOH-H"	44.998201
"357444"	1217.356651	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+Hac-H"	59.013851
"1507869"	638.185251	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Hac-H"	59.013851
"970180"	646.151551	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-H+NaCOOH"	66.980151
"125413"	614.140802	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+2Cl"	69.938804
"563400"	903.726502	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+2Cl"	69.938804
"1034751"	324.555102	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2Cl"	69.938804
"1255058"	658.090285	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Br"	78.918885
"1318965"	660.146272	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Cl+HCOOH"	80.974872
"1332448"	682.128229	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Cl+NaCOOH"	102.956829
"920952"	692.156986	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M-H+CF3COOH"	112.985586
"1302400"	728.133664	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Cl+CF3COOH"	148.962264
"1381174"	544.158724	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H-2H2O"	-35.012676
"1397335"	562.1687	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H-H2O"	-17.0027
"297141"	1159.350076	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+H"	1.007276
"688710"	1738.521476	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+H"	1.007276
"1362873"	580.178676	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H"	1.007276
"137949"	580.178676	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+2H"	2.014552
"579339"	869.764376	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+2H"	2.014552
"1049233"	290.592976	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2H"	2.014552
"216403"	387.121542666667	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+3H"	3.021828
"655958"	580.178676	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+3H"	3.021828
"1175178"	194.064409333333	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+3H"	3.021828
"429700"	1176.376623	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+NH4"	18.033823
"795071"	1755.548023	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+NH4"	18.033823
"1690310"	597.205223	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+NH4"	18.033823
"338587"	588.6919495	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+H+NH4"	19.041099
"731010"	878.2776495	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+H+NH4"	19.041099
"1488113"	299.1062495	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H+NH4"	19.041099
"400234"	1181.332018	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+Na"	22.989218
"761230"	1760.503418	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+Na"	22.989218
"1613702"	602.160618	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Na"	22.989218
"322645"	591.169647	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+H+Na"	23.996494
"715067"	880.755347	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+H+Na"	23.996494
"1471075"	301.583947	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H+Na"	23.996494
"1061037"	201.391723333333	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2H+Na"	25.00377
"1265997"	612.204886	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+CH3OH+H"	33.033486
"390040"	1197.305958	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+K"	38.963158
"752129"	1776.477358	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+K"	38.963158
"1542154"	618.134558	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+K"	38.963158
"299697"	599.156617	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+H+K"	39.970434
"693939"	888.742317	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+H+K"	39.970434
"1460531"	309.570917	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H+K"	39.970434
"249131"	1200.376626	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+ACN+H"	42.033826
"1222934"	621.205226	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+ACN+H"	42.033826
"1204994"	311.106251	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+ACN+2H"	43.041102
"193489"	1203.31396	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+2Na-H"	44.97116
"639611"	1782.48536	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+2Na-H"	44.97116
"1145793"	624.14256	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2Na-H"	44.97116
"188115"	602.160618	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+2Na"	45.978436
"628038"	891.746318	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+2Na"	45.978436
"1129117"	312.574918	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2Na"	45.978436
"1410817"	208.719037333333	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H+2Na"	46.985712
"1439653"	626.184146	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H+HCOOH"	47.012746
"228253"	607.19364	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+3H2O+2H"	56.04448
"1516315"	640.23619	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+IsoProp+H"	61.06479
"413084"	610.147588	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+Na+K"	61.952376
"772985"	899.733288	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+Na+K"	61.952376
"1671139"	320.561888	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Na+K"	61.952376
"254011"	1222.358568	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+ACN+Na"	64.015768
"1233648"	643.187168	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+ACN+Na"	64.015768
"1718160"	643.210693	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+NH4+HCOOH"	64.039293
"1181327"	216.046351333333	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+3Na"	68.967654
"1653407"	648.166088	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Na+HCOOH"	68.994688
"171936"	1235.26184	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+2K-H"	76.91904
"611868"	1814.43324	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+2K-H"	76.91904
"1098564"	656.09044	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2K-H"	76.91904
"155379"	618.134558	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"2M+2K"	77.926316
"595671"	907.720258	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"3M+2K"	77.926316
"1082737"	328.548858	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2K"	77.926316
"1111570"	658.104992	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2K+H"	78.933592
"1349778"	658.192607	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+DMSO+H"	79.021207
"1018668"	662.231776	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2ACN+H"	83.060376
"1537523"	663.225408	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+IsoProp+Na+H"	84.054008
"1001057"	331.619526	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+2ACN+2H"	84.067652
"1597747"	664.140028	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+K+HCOOH"	84.968628
"1426688"	694.171538	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+H+CF3COOH"	115.000138
"1156974"	352.132801	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+3ACN+2H"	125.094202
"1707618"	711.198085	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+NH4+CF3COOH"	132.026685
"1642175"	716.15348	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+Na+CF3COOH"	136.98208
"1576734"	732.12742	"C12644"	"Pelargonidin 3-O-rutinoside"	"C27H31O14"	"579.1714"	"M+K+CF3COOH"	152.95602
"810381"	741.2242	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M"	0
"986831"	722.20581	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-H2O-H"	-19.01839
"74345"	493.142190666667	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M-3H"	-3.021828
"503241"	740.216924	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M-3H"	-3.021828
"880232"	246.067457333333	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-3H"	-3.021828
"6998"	740.216924	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M-2H"	-2.014552
"442187"	1110.829024	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M-2H"	-2.014552
"817184"	369.604824	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-2H"	-2.014552
"88740"	1481.441124	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M-H"	-1.007276
"526113"	2222.665324	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M-H"	-1.007276
"900633"	740.216924	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-H"	-1.007276
"49542"	1498.467671	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M-2H+NH4"	16.019271
"490194"	2239.691871	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M-2H+NH4"	16.019271
"869088"	757.243471	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-2H+NH4"	16.019271
"31444"	1503.423066	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M-2H+Na"	20.974666
"471554"	2244.647266	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M-2H+Na"	20.974666
"848558"	762.198866	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-2H+Na"	20.974666
"1618448"	762.198866	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Na-2H"	20.974666
"94496"	758.205263	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M-H+Cl"	33.962126
"534787"	1128.817363	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M-H+Cl"	33.962126
"928140"	387.593163	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-H+Cl"	33.962126
"269856"	1517.417802	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+Cl"	34.969402
"660454"	2258.642002	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+Cl"	34.969402
"1273219"	776.193602	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Cl"	34.969402
"17235"	1519.397006	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M-2H+K"	36.948606
"455956"	2260.621206	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M-2H+K"	36.948606
"837886"	778.172806	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-2H+K"	36.948606
"1565749"	778.172806	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+K-2H"	36.948606
"957890"	786.222394	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-H+HCOOH"	44.998194
"376184"	1527.446601	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+HCOOH-H"	44.998201
"357557"	1541.462251	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+Hac-H"	59.013851
"1506397"	800.238051	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Hac-H"	59.013851
"971018"	808.204351	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-H+NaCOOH"	66.980151
"125038"	776.193602	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+2Cl"	69.938804
"563138"	1146.805702	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+2Cl"	69.938804
"1032664"	405.581502	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2Cl"	69.938804
"1251879"	820.143085	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Br"	78.918885
"1319723"	822.199072	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Cl+HCOOH"	80.974872
"1335321"	844.181029	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Cl+NaCOOH"	102.956829
"926897"	854.209786	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M-H+CF3COOH"	112.985586
"1299594"	890.186464	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Cl+CF3COOH"	148.962264
"1379943"	706.211524	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H-2H2O"	-35.012676
"1397687"	724.2215	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H-H2O"	-17.0027
"298109"	1483.455676	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+H"	1.007276
"690891"	2224.679876	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+H"	1.007276
"1365172"	742.231476	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H"	1.007276
"140246"	742.231476	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+2H"	2.014552
"577627"	1112.843576	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+2H"	2.014552
"1050800"	371.619376	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2H"	2.014552
"218823"	495.156742666667	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+3H"	3.021828
"654977"	742.231476	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+3H"	3.021828
"1176141"	248.082009333333	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+3H"	3.021828
"436374"	1500.482223	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+NH4"	18.033823
"794088"	2241.706423	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+NH4"	18.033823
"1690420"	759.258023	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+NH4"	18.033823
"336511"	750.7447495	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+H+NH4"	19.041099
"731120"	1121.3568495	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+H+NH4"	19.041099
"1488223"	380.1326495	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H+NH4"	19.041099
"397062"	1505.437618	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+Na"	22.989218
"764620"	2246.661818	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+Na"	22.989218
"1613812"	764.213418	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Na"	22.989218
"320570"	753.222447	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+H+Na"	23.996494
"712991"	1123.834547	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+H+Na"	23.996494
"1468998"	382.610347	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H+Na"	23.996494
"1060055"	255.409323333333	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2H+Na"	25.00377
"1267202"	774.257686	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+CH3OH+H"	33.033486
"387963"	1521.411558	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+K"	38.963158
"747865"	2262.635758	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+K"	38.963158
"1544454"	780.187358	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+K"	38.963158
"298640"	761.209417	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+H+K"	39.970434
"692956"	1131.821517	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+H+K"	39.970434
"1458452"	390.597317	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H+K"	39.970434
"250092"	1524.482226	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+ACN+H"	42.033826
"1223895"	783.258026	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+ACN+H"	42.033826
"1208020"	392.132651	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+ACN+2H"	43.041102
"193964"	1527.41956	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+2Na-H"	44.97116
"639357"	2268.64376	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+2Na-H"	44.97116
"1146472"	786.19536	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2Na-H"	44.97116
"187620"	764.213418	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+2Na"	45.978436
"627055"	1134.825518	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+2Na"	45.978436
"1125217"	393.601318	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2Na"	45.978436
"1408740"	262.736637333333	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H+2Na"	46.985712
"1439763"	788.236946	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H+HCOOH"	47.012746
"227270"	769.24644	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+3H2O+2H"	56.04448
"1516425"	802.28899	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+IsoProp+H"	61.06479
"416111"	772.200388	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+Na+K"	61.952376
"773095"	1142.812488	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+Na+K"	61.952376
"1670155"	401.588288	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Na+K"	61.952376
"256673"	1546.464168	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+ACN+Na"	64.015768
"1233758"	805.239968	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+ACN+Na"	64.015768
"1721550"	805.263493	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+NH4+HCOOH"	64.039293
"1183623"	270.063951333333	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+3Na"	68.967654
"1650313"	810.218888	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Na+HCOOH"	68.994688
"170954"	1559.36744	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+2K-H"	76.91904
"610521"	2300.59164	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+2K-H"	76.91904
"1098309"	818.14324	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2K-H"	76.91904
"155495"	780.187358	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"2M+2K"	77.926316
"595176"	1150.799458	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"3M+2K"	77.926316
"1079931"	409.575258	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2K"	77.926316
"1114234"	820.157792	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2K+H"	78.933592
"1348795"	820.245407	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+DMSO+H"	79.021207
"1016593"	824.284576	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2ACN+H"	83.060376
"1537635"	825.278208	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+IsoProp+Na+H"	84.054008
"1003353"	412.645926	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+2ACN+2H"	84.067652
"1601992"	826.192828	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+K+HCOOH"	84.968628
"1429718"	856.224338	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+H+CF3COOH"	115.000138
"1162068"	433.159201	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+3ACN+2H"	125.094202
"1712631"	873.250885	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+NH4+CF3COOH"	132.026685
"1640099"	878.20628	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+Na+CF3COOH"	136.98208
"1576844"	894.18022	"C12645"	"Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;Pelargonidin 3-rutinoside-5-glucopyranoside"	"C33H41O19"	"741.2242"	"M+K+CF3COOH"	152.95602
"802471"	757.2191	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M"	0
"984024"	738.20071	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-H2O-H"	-19.01839
"72267"	503.805457333333	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M-3H"	-3.021828
"503687"	756.211824	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M-3H"	-3.021828
"880066"	251.399090666667	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-3H"	-3.021828
"2734"	756.211824	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M-2H"	-2.014552
"443391"	1134.821374	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M-2H"	-2.014552
"817546"	377.602274	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-2H"	-2.014552
"86664"	1513.430924	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M-H"	-1.007276
"526223"	2270.650024	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M-H"	-1.007276
"900743"	756.211824	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-H"	-1.007276
"49650"	1530.457471	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M-2H+NH4"	16.019271
"491397"	2287.676571	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M-2H+NH4"	16.019271
"869198"	773.238371	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-2H+NH4"	16.019271
"31872"	1535.412866	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M-2H+Na"	20.974666
"471668"	2292.631966	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M-2H+Na"	20.974666
"848865"	778.193766	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-2H+Na"	20.974666
"1618886"	778.193766	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Na-2H"	20.974666
"95417"	774.200163	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M-H+Cl"	33.962126
"536072"	1152.809713	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M-H+Cl"	33.962126
"929223"	395.590613	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-H+Cl"	33.962126
"272152"	1549.407602	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+Cl"	34.969402
"660928"	2306.626702	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+Cl"	34.969402
"1273328"	792.188502	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Cl"	34.969402
"18438"	1551.386806	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M-2H+K"	36.948606
"459090"	2308.605906	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M-2H+K"	36.948606
"840183"	794.167706	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-2H+K"	36.948606
"1566588"	794.167706	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+K-2H"	36.948606
"957998"	802.217294	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-H+HCOOH"	44.998194
"375970"	1559.436401	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+HCOOH-H"	44.998201
"360219"	1573.452051	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+Hac-H"	59.013851
"1505779"	816.232951	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Hac-H"	59.013851
"968941"	824.199251	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-H+NaCOOH"	66.980151
"123689"	792.188502	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+2Cl"	69.938804
"561426"	1170.798052	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+2Cl"	69.938804
"1030588"	413.578952	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2Cl"	69.938804
"1252351"	836.137985	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Br"	78.918885
"1317721"	838.193972	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Cl+HCOOH"	80.974872
"1334854"	860.175929	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Cl+NaCOOH"	102.956829
"925547"	870.204686	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M-H+CF3COOH"	112.985586
"1299704"	906.181364	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Cl+CF3COOH"	148.962264
"1380053"	722.206424	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H-2H2O"	-35.012676
"1393546"	740.2164	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H-H2O"	-17.0027
"297242"	1515.445476	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+H"	1.007276
"688934"	2272.664576	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+H"	1.007276
"1362002"	758.226376	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H"	1.007276
"138169"	758.226376	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+2H"	2.014552
"577736"	1136.835926	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+2H"	2.014552
"1050912"	379.616826	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2H"	2.014552
"219297"	505.820009333333	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+3H"	3.021828
"657273"	758.226376	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+3H"	3.021828
"1176371"	253.413642666667	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+3H"	3.021828
"435390"	1532.472023	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+NH4"	18.033823
"794198"	2289.691123	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+NH4"	18.033823
"1693806"	775.252923	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+NH4"	18.033823
"339901"	766.7396495	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+H+NH4"	19.041099
"731227"	1145.3491995	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+H+NH4"	19.041099
"1489426"	388.1300995	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H+NH4"	19.041099
"397172"	1537.427418	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+Na"	22.989218
"763637"	2294.646518	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+Na"	22.989218
"1612829"	780.208318	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Na"	22.989218
"320680"	769.217347	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+H+Na"	23.996494
"710914"	1147.826897	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+H+Na"	23.996494
"1462422"	390.607797	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H+Na"	23.996494
"1061260"	260.740956666667	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2H+Na"	25.00377
"1266219"	790.252586	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+CH3OH+H"	33.033486
"382607"	1553.401358	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+K"	38.963158
"746882"	2310.620458	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+K"	38.963158
"1544562"	796.182258	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+K"	38.963158
"305019"	777.204317	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+H+K"	39.970434
"697436"	1155.813867	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+H+K"	39.970434
"1450170"	398.594767	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H+K"	39.970434
"247523"	1556.472026	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+ACN+H"	42.033826
"1223152"	799.252926	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+ACN+H"	42.033826
"1207767"	400.130101	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+ACN+2H"	43.041102
"193710"	1559.40936	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+2Na-H"	44.97116
"640560"	2316.62846	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+2Na-H"	44.97116
"1146262"	802.19026	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2Na-H"	44.97116
"187000"	780.208318	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+2Na"	45.978436
"627531"	1158.817868	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+2Na"	45.978436
"1125327"	401.598768	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2Na"	45.978436
"1408850"	268.068270666667	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H+2Na"	46.985712
"1440966"	804.231846	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H+HCOOH"	47.012746
"226651"	785.24134	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+3H2O+2H"	56.04448
"1516535"	818.28389	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+IsoProp+H"	61.06479
"416221"	788.195288	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+Na+K"	61.952376
"773205"	1166.804838	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+Na+K"	61.952376
"1670629"	409.585738	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Na+K"	61.952376
"256783"	1578.453968	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+ACN+Na"	64.015768
"1233868"	821.234868	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+ACN+Na"	64.015768
"1721660"	821.258393	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+NH4+HCOOH"	64.039293
"1184826"	275.395584666667	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+3Na"	68.967654
"1650707"	826.213788	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Na+HCOOH"	68.994688
"165229"	1591.35724	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+2K-H"	76.91904
"607713"	2348.57634	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+2K-H"	76.91904
"1097690"	834.13814	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2K-H"	76.91904
"153051"	796.182258	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"2M+2K"	77.926316
"593341"	1174.791808	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"3M+2K"	77.926316
"1080041"	417.572708	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2K"	77.926316
"1113615"	836.152692	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2K+H"	78.933592
"1347447"	836.240307	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+DMSO+H"	79.021207
"1015610"	840.279476	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2ACN+H"	83.060376
"1536288"	841.273108	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+IsoProp+Na+H"	84.054008
"1000913"	420.643376	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+2ACN+2H"	84.067652
"1601251"	842.187728	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+K+HCOOH"	84.968628
"1429465"	872.219238	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+H+CF3COOH"	115.000138
"1161570"	441.156651	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+3ACN+2H"	125.094202
"1711120"	889.245785	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+NH4+CF3COOH"	132.026685
"1640209"	894.20118	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+Na+CF3COOH"	136.98208
"1576954"	910.17512	"C12646"	"Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside;Cyanidin 3-rutinoside 5-glucoside"	"C33H41O20"	"757.2191"	"M+K+CF3COOH"	152.95602
"810601"	929.1988	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M"	0
"988876"	910.18041	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-H2O-H"	-19.01839
"77482"	618.458590666667	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M-3H"	-3.021828
"505381"	928.191524	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M-3H"	-3.021828
"889743"	308.725657333333	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-3H"	-3.021828
"8318"	928.191524	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M-2H"	-2.014552
"445693"	1392.790924	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M-2H"	-2.014552
"818390"	463.592124	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-2H"	-2.014552
"88960"	1857.390324	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M-H"	-1.007276
"521593"	2786.589124	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M-H"	-1.007276
"901947"	928.191524	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-H"	-1.007276
"49395"	1874.416871	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M-2H+NH4"	16.019271
"491507"	2803.615671	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M-2H+NH4"	16.019271
"865539"	945.218071	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-2H+NH4"	16.019271
"37209"	1879.372266	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M-2H+Na"	20.974666
"471902"	2808.571066	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M-2H+Na"	20.974666
"849262"	950.173466	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-2H+Na"	20.974666
"1619363"	950.173466	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Na-2H"	20.974666
"95285"	946.179863	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M-H+Cl"	33.962126
"536911"	1410.779263	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M-H+Cl"	33.962126
"930428"	481.580463	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-H+Cl"	33.962126
"271170"	1893.367002	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+Cl"	34.969402
"661649"	2822.565802	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+Cl"	34.969402
"1273322"	964.168202	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Cl"	34.969402
"17090"	1895.346206	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M-2H+K"	36.948606
"457378"	2824.545006	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M-2H+K"	36.948606
"843577"	966.147406	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-2H+K"	36.948606
"1569255"	966.147406	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+K-2H"	36.948606
"958112"	974.196994	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-H+HCOOH"	44.998194
"375595"	1903.395801	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+HCOOH-H"	44.998201
"359242"	1917.411451	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+Hac-H"	59.013851
"1506983"	988.212651	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Hac-H"	59.013851
"970879"	996.178951	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-H+NaCOOH"	66.980151
"124163"	964.168202	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+2Cl"	69.938804
"561536"	1428.767602	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+2Cl"	69.938804
"1029605"	499.568802	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2Cl"	69.938804
"1252461"	1008.117685	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Br"	78.918885
"1318559"	1010.173672	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Cl+HCOOH"	80.974872
"1334843"	1032.155629	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Cl+NaCOOH"	102.956829
"926385"	1042.184386	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M-H+CF3COOH"	112.985586
"1303827"	1078.161064	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Cl+CF3COOH"	148.962264
"1379434"	894.186124	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H-2H2O"	-35.012676
"1395843"	912.1961	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H-H2O"	-17.0027
"297716"	1859.404876	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+H"	1.007276
"690137"	2788.603676	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+H"	1.007276
"1366243"	930.206076	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H"	1.007276
"138279"	930.206076	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+2H"	2.014552
"578941"	1394.805476	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+2H"	2.014552
"1044459"	465.606676	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2H"	2.014552
"218197"	620.473142666667	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+3H"	3.021828
"659336"	930.206076	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+3H"	3.021828
"1177336"	310.740209333333	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+3H"	3.021828
"437688"	1876.431423	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+NH4"	18.033823
"797590"	2805.630223	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+NH4"	18.033823
"1689546"	947.232623	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+NH4"	18.033823
"341105"	938.7193495	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+H+NH4"	19.041099
"731337"	1403.3187495	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+H+NH4"	19.041099
"1490997"	474.1199495	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H+NH4"	19.041099
"401657"	1881.386818	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+Na"	22.989218
"763748"	2810.585618	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+Na"	22.989218
"1614032"	952.188018	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Na"	22.989218
"320791"	941.197047	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+H+Na"	23.996494
"713213"	1405.796447	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+H+Na"	23.996494
"1467033"	476.597647	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H+Na"	23.996494
"1059184"	318.067523333333	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2H+Na"	25.00377
"1269610"	962.232286	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+CH3OH+H"	33.033486
"390372"	1897.360758	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+K"	38.963158
"751366"	2826.559558	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+K"	38.963158
"1545765"	968.161958	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+K"	38.963158
"309502"	949.184017	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+H+K"	39.970434
"701920"	1413.783417	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+H+K"	39.970434
"1450273"	484.584617	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H+K"	39.970434
"248000"	1900.431426	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+ACN+H"	42.033826
"1219250"	971.232626	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+ACN+H"	42.033826
"1207755"	486.119951	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+ACN+2H"	43.041102
"193819"	1903.36876	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+2Na-H"	44.97116
"633377"	2832.56756	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+2Na-H"	44.97116
"1145642"	974.16996	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2Na-H"	44.97116
"187964"	952.188018	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+2Na"	45.978436
"627035"	1416.787418	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+2Na"	45.978436
"1126531"	487.588618	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2Na"	45.978436
"1406774"	325.394837333333	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H+2Na"	46.985712
"1437795"	976.211546	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H+HCOOH"	47.012746
"232229"	957.22104	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+3H2O+2H"	56.04448
"1518831"	990.26359	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+IsoProp+H"	61.06479
"420704"	960.174988	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+Na+K"	61.952376
"776595"	1424.774388	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+Na+K"	61.952376
"1669280"	495.575588	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Na+K"	61.952376
"252882"	1922.413368	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+ACN+Na"	64.015768
"1235071"	993.214568	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+ACN+Na"	64.015768
"1721770"	993.238093	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+NH4+HCOOH"	64.039293
"1184936"	332.722151333333	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+3Na"	68.967654
"1650246"	998.193488	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Na+HCOOH"	68.994688
"164975"	1935.31664	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+2K-H"	76.91904
"611101"	2864.51544	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+2K-H"	76.91904
"1095978"	1006.11784	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2K-H"	76.91904
"153159"	968.161958	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"2M+2K"	77.926316
"593450"	1432.761358	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"3M+2K"	77.926316
"1082338"	503.562558	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2K"	77.926316
"1112996"	1008.132392	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2K+H"	78.933592
"1350352"	1008.220007	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+DMSO+H"	79.021207
"1021236"	1012.259176	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2ACN+H"	83.060376
"1537493"	1013.252808	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+IsoProp+Na+H"	84.054008
"1002482"	506.633226	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+2ACN+2H"	84.067652
"1599903"	1014.167428	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+K+HCOOH"	84.968628
"1427017"	1044.198938	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+H+CF3COOH"	115.000138
"1161924"	527.146501	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+3ACN+2H"	125.094202
"1704668"	1061.225485	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+NH4+CF3COOH"	132.026685
"1637039"	1066.18088	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+Na+CF3COOH"	136.98208
"1575970"	1082.15482	"C12647"	"Salvianin"	"C42H41O24"	"929.1988"	"M+K+CF3COOH"	152.95602
"801839"	210.0376	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M"	0
"988254"	191.01921	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-H2O-H"	-19.01839
"75767"	139.017790666667	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M-3H"	-3.021828
"510958"	209.030324	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M-3H"	-3.021828
"887664"	69.0052573333333	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-3H"	-3.021828
"9520"	209.030324	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M-2H"	-2.014552
"449082"	314.049124	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M-2H"	-2.014552
"824697"	104.011524	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-2H"	-2.014552
"85790"	419.067924	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M-H"	-1.007276
"527536"	629.105524	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M-H"	-1.007276
"903152"	209.030324	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-H"	-1.007276
"48777"	436.094471	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M-2H+NH4"	16.019271
"488702"	646.132071	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M-2H+NH4"	16.019271
"867232"	226.056871	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-2H+NH4"	16.019271
"37319"	441.049866	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M-2H+Na"	20.974666
"473113"	651.087466	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M-2H+Na"	20.974666
"849091"	231.012266	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-2H+Na"	20.974666
"1622027"	231.012266	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Na-2H"	20.974666
"97461"	227.018663	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M-H+Cl"	33.962126
"540302"	332.037463	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M-H+Cl"	33.962126
"933816"	121.999863	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-H+Cl"	33.962126
"272375"	455.044602	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+Cl"	34.969402
"664797"	665.082202	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+Cl"	34.969402
"1278293"	245.007002	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Cl"	34.969402
"18658"	457.023806	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M-2H+K"	36.948606
"460039"	667.061406	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M-2H+K"	36.948606
"848064"	246.986206	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-2H+K"	36.948606
"1569004"	246.986206	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+K-2H"	36.948606
"957614"	255.035794	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-H+HCOOH"	44.998194
"375705"	465.073401	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+HCOOH-H"	44.998201
"359596"	479.089051	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+Hac-H"	59.013851
"1505270"	269.051451	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Hac-H"	59.013851
"971717"	277.017751	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-H+NaCOOH"	66.980151
"120988"	245.007002	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+2Cl"	69.938804
"556538"	350.025802	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+2Cl"	69.938804
"1028617"	139.988202	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2Cl"	69.938804
"1248194"	288.956485	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Br"	78.918885
"1313927"	291.012472	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Cl+HCOOH"	80.974872
"1334342"	312.994429	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Cl+NaCOOH"	102.956829
"925765"	323.023186	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M-H+CF3COOH"	112.985586
"1302476"	358.999864	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Cl+CF3COOH"	148.962264
"1371888"	175.024924	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H-2H2O"	-35.012676
"1392667"	193.0349	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H-H2O"	-17.0027
"294546"	421.082476	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+H"	1.007276
"690609"	631.120076	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+H"	1.007276
"1364410"	211.044876	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H"	1.007276
"137302"	211.044876	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+2H"	2.014552
"579050"	316.063676	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+2H"	2.014552
"1051009"	106.026076	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2H"	2.014552
"216843"	141.032342666667	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+3H"	3.021828
"658221"	211.044876	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+3H"	3.021828
"1175618"	71.0198093333333	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+3H"	3.021828
"437797"	438.109023	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+NH4"	18.033823
"795513"	648.146623	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+NH4"	18.033823
"1688560"	228.071423	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+NH4"	18.033823
"334651"	219.5581495	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+H+NH4"	19.041099
"731447"	324.5769495	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+H+NH4"	19.041099
"1486362"	114.5393495	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H+NH4"	19.041099
"408287"	443.064418	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+Na"	22.989218
"769608"	653.102018	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+Na"	22.989218
"1617420"	233.026818	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Na"	22.989218
"325999"	222.035847	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+H+Na"	23.996494
"720853"	327.054647	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+H+Na"	23.996494
"1475891"	117.017047	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H+Na"	23.996494
"1065855"	78.3471233333333	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2H+Na"	25.00377
"1270813"	243.071086	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+CH3OH+H"	33.033486
"392507"	459.038358	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+K"	38.963158
"751475"	669.075958	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+K"	38.963158
"1550248"	249.000758	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+K"	38.963158
"310706"	230.022817	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+H+K"	39.970434
"702030"	335.041617	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+H+K"	39.970434
"1453663"	125.004017	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H+K"	39.970434
"248839"	462.109026	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+ACN+H"	42.033826
"1219360"	252.071426	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+ACN+H"	42.033826
"1205434"	126.539351	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+ACN+2H"	43.041102
"193929"	465.04636	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+2Na-H"	44.97116
"633123"	675.08396	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+2Na-H"	44.97116
"1145017"	255.00876	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2Na-H"	44.97116
"187955"	233.026818	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+2Na"	45.978436
"627510"	338.045618	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+2Na"	45.978436
"1128100"	128.008018	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2Na"	45.978436
"1407977"	85.6744373333333	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H+2Na"	46.985712
"1437175"	257.050346	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H+HCOOH"	47.012746
"230880"	238.05984	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+3H2O+2H"	56.04448
"1516754"	271.10239	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+IsoProp+H"	61.06479
"419721"	241.013788	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+Na+K"	61.952376
"777434"	346.032588	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+Na+K"	61.952376
"1670483"	135.994988	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Na+K"	61.952376
"253720"	484.090968	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+ACN+Na"	64.015768
"1235181"	274.053368	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+ACN+Na"	64.015768
"1716411"	274.076893	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+NH4+HCOOH"	64.039293
"1179213"	93.0017513333333	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+3Na"	68.967654
"1656031"	279.032288	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Na+HCOOH"	68.994688
"163992"	496.99424	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+2K-H"	76.91904
"605741"	707.03184	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+2K-H"	76.91904
"1090256"	286.95664	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2K-H"	76.91904
"148167"	249.000758	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"2M+2K"	77.926316
"591374"	354.019558	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"3M+2K"	77.926316
"1076251"	143.981958	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2K"	77.926316
"1111648"	288.971192	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2K+H"	78.933592
"1346940"	289.058807	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+DMSO+H"	79.021207
"1018022"	293.097976	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2ACN+H"	83.060376
"1536142"	294.091608	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+IsoProp+Na+H"	84.054008
"1002956"	147.052626	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+2ACN+2H"	84.067652
"1601107"	295.006228	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+K+HCOOH"	84.968628
"1423847"	325.037738	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+H+CF3COOH"	115.000138
"1160696"	167.565901	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+3ACN+2H"	125.094202
"1708058"	342.064285	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+NH4+CF3COOH"	132.026685
"1637149"	347.01968	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+Na+CF3COOH"	136.98208
"1577174"	362.99362	"C12649"	"Citric acid monohydrate"	"C6H8O7H2O"	"210.0376"	"M+K+CF3COOH"	152.95602
"810821"	359.1493	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M"	0
"989707"	340.13091	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-H2O-H"	-19.01839
"78551"	238.425590666667	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M-3H"	-3.021828
"508880"	358.142024	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M-3H"	-3.021828
"887775"	118.709157333333	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-3H"	-3.021828
"5256"	358.142024	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M-2H"	-2.014552
"443724"	537.716674	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M-2H"	-2.014552
"824807"	178.567374	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-2H"	-2.014552
"83713"	717.291324	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M-H"	-1.007276
"524366"	1076.440624	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M-H"	-1.007276
"902168"	358.142024	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-H"	-1.007276
"49737"	734.317871	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M-2H+NH4"	16.019271
"489541"	1093.467171	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M-2H+NH4"	16.019271
"868436"	375.168571	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-2H+NH4"	16.019271
"36336"	739.273266	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M-2H+Na"	20.974666
"474804"	1098.422566	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M-2H+Na"	20.974666
"849077"	380.123966	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-2H+Na"	20.974666
"1619950"	380.123966	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Na-2H"	20.974666
"96477"	376.130363	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M-H+Cl"	33.962126
"539317"	555.705013	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M-H+Cl"	33.962126
"931738"	196.555713	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-H+Cl"	33.962126
"271387"	753.268002	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+Cl"	34.969402
"663813"	1112.417302	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+Cl"	34.969402
"1275122"	394.118702	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Cl"	34.969402
"17796"	755.247206	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M-2H+K"	36.948606
"457599"	1114.396506	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M-2H+K"	36.948606
"848052"	396.097906	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-2H+K"	36.948606
"1570207"	396.097906	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+K-2H"	36.948606
"958391"	404.147494	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-H+HCOOH"	44.998194
"375936"	763.296801	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+HCOOH-H"	44.998201
"358252"	777.312451	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+Hac-H"	59.013851
"1504653"	418.163151	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Hac-H"	59.013851
"971825"	426.129451	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-H+NaCOOH"	66.980151
"121462"	394.118702	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+2Cl"	69.938804
"556648"	573.693352	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+2Cl"	69.938804
"1028727"	214.544052	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2Cl"	69.938804
"1247209"	438.068185	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Br"	78.918885
"1312942"	440.124172	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Cl+HCOOH"	80.974872
"1334816"	462.106129	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Cl+NaCOOH"	102.956829
"925875"	472.134886	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M-H+CF3COOH"	112.985586
"1299301"	508.111564	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Cl+CF3COOH"	148.962264
"1368350"	324.136624	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H-2H2O"	-35.012676
"1391683"	342.1466	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H-H2O"	-17.0027
"296477"	719.305876	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+H"	1.007276
"690354"	1078.455176	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+H"	1.007276
"1363427"	360.156576	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H"	1.007276
"138504"	360.156576	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+2H"	2.014552
"579888"	539.731226	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+2H"	2.014552
"1050146"	180.581926	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2H"	2.014552
"215860"	240.440142666667	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+3H"	3.021828
"656508"	360.156576	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+3H"	3.021828
"1174634"	120.723709333333	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+3H"	3.021828
"434626"	736.332423	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+NH4"	18.033823
"795622"	1095.481723	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+NH4"	18.033823
"1685754"	377.183123	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+NH4"	18.033823
"332938"	368.6698495	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+H+NH4"	19.041099
"731557"	548.2444995	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+H+NH4"	19.041099
"1487566"	189.0951995	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H+NH4"	19.041099
"406982"	741.287818	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+Na"	22.989218
"769311"	1100.437118	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+Na"	22.989218
"1616442"	382.138518	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Na"	22.989218
"329147"	371.147547	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+H+Na"	23.996494
"720963"	550.722197	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+H+Na"	23.996494
"1473086"	191.572897	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H+Na"	23.996494
"1061592"	128.051023333333	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2H+Na"	25.00377
"1267644"	392.182786	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+CH3OH+H"	33.033486
"388406"	757.261758	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+K"	38.963158
"749399"	1116.411058	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+K"	38.963158
"1550359"	398.112458	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+K"	38.963158
"307537"	379.134517	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+H+K"	39.970434
"702140"	558.709167	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+H+K"	39.970434
"1452680"	199.559867	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H+K"	39.970434
"247856"	760.332426	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+ACN+H"	42.033826
"1219471"	401.183126	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+ACN+H"	42.033826
"1206273"	201.095201	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+ACN+2H"	43.041102
"192946"	763.26976	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+2Na-H"	44.97116
"632505"	1122.41906	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+2Na-H"	44.97116
"1143304"	404.12046	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2Na-H"	44.97116
"187947"	382.138518	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+2Na"	45.978436
"627985"	561.713168	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+2Na"	45.978436
"1126751"	202.563868	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2Na"	45.978436
"1408087"	135.378337333333	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H+2Na"	46.985712
"1439109"	406.162046	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H+HCOOH"	47.012746
"230990"	387.17154	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+3H2O+2H"	56.04448
"1515771"	420.21409	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+IsoProp+H"	61.06479
"417644"	390.125488	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+Na+K"	61.952376
"777543"	569.700138	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+Na+K"	61.952376
"1669499"	210.550838	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Na+K"	61.952376
"253950"	782.314368	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+ACN+Na"	64.015768
"1230917"	423.165068	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+ACN+Na"	64.015768
"1715427"	423.188593	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+NH4+HCOOH"	64.039293
"1179200"	142.705651333333	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+3Na"	68.967654
"1655048"	428.143988	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Na+HCOOH"	68.994688
"163372"	795.21764	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+2K-H"	76.91904
"605850"	1154.36694	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+2K-H"	76.91904
"1090366"	436.06834	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2K-H"	76.91904
"148277"	398.112458	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"2M+2K"	77.926316
"591848"	577.687108	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"3M+2K"	77.926316
"1078548"	218.537808	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2K"	77.926316
"1111758"	438.082892	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2K+H"	78.933592
"1348143"	438.170507	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+DMSO+H"	79.021207
"1017039"	442.209676	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2ACN+H"	83.060376
"1537347"	443.203308	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+IsoProp+Na+H"	84.054008
"1002702"	221.608476	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+2ACN+2H"	84.067652
"1600123"	444.117928	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+K+HCOOH"	84.968628
"1425050"	474.149438	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+H+CF3COOH"	115.000138
"1158619"	242.121751	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+3ACN+2H"	125.094202
"1708168"	491.175985	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+NH4+CF3COOH"	132.026685
"1637259"	496.13138	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+Na+CF3COOH"	136.98208
"1572908"	512.10532	"C12650"	"Capecitabine;(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-12-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester"	"C15H22FN3O6"	"359.1493"	"M+K+CF3COOH"	152.95602
"803276"	434.2105	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M"	0
"988598"	415.19211	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-H2O-H"	-19.01839
"78057"	288.466390666667	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M-3H"	-3.021828
"507897"	433.203224	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M-3H"	-3.021828
"887885"	143.729557333333	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-3H"	-3.021828
"5366"	433.203224	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M-2H"	-2.014552
"443834"	650.308474	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M-2H"	-2.014552
"824917"	216.097974	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-2H"	-2.014552
"87103"	867.413724	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M-H"	-1.007276
"526663"	1301.624224	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M-H"	-1.007276
"904465"	433.203224	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-H"	-1.007276
"54465"	884.440271	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M-2H+NH4"	16.019271
"491109"	1318.650771	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M-2H+NH4"	16.019271
"868546"	450.229771	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-2H+NH4"	16.019271
"37539"	889.395666	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M-2H+Na"	20.974666
"473821"	1323.606166	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M-2H+Na"	20.974666
"849554"	455.185166	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-2H+Na"	20.974666
"1620060"	455.185166	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Na-2H"	20.974666
"97680"	451.191563	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M-H+Cl"	33.962126
"539427"	668.296813	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M-H+Cl"	33.962126
"932941"	234.086313	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-H+Cl"	33.962126
"275871"	903.390402	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+Cl"	34.969402
"665014"	1337.600902	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+Cl"	34.969402
"1275232"	469.179902	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Cl"	34.969402
"19971"	905.369606	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M-2H+K"	36.948606
"458072"	1339.580106	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M-2H+K"	36.948606
"845366"	471.159106	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-2H+K"	36.948606
"1568494"	471.159106	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+K-2H"	36.948606
"957102"	479.208694	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-H+HCOOH"	44.998194
"375682"	913.419201	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+HCOOH-H"	44.998201
"360665"	927.434851	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+Hac-H"	59.013851
"1505126"	493.224351	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Hac-H"	59.013851
"971206"	501.190651	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-H+NaCOOH"	66.980151
"120479"	469.179902	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+2Cl"	69.938804
"556758"	686.285152	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+2Cl"	69.938804
"1025557"	252.074652	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2Cl"	69.938804
"1247319"	513.129385	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Br"	78.918885
"1313052"	515.185372	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Cl+HCOOH"	80.974872
"1333833"	537.167329	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Cl+NaCOOH"	102.956829
"918327"	547.196086	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M-H+CF3COOH"	112.985586
"1295038"	583.172764	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Cl+CF3COOH"	148.962264
"1368095"	399.197824	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H-2H2O"	-35.012676
"1383769"	417.2078	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H-H2O"	-17.0027
"297680"	869.428276	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+H"	1.007276
"691262"	1303.638776	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+H"	1.007276
"1366452"	435.217776	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H"	1.007276
"138615"	435.217776	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+2H"	2.014552
"580970"	652.323026	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+2H"	2.014552
"1049163"	218.112526	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2H"	2.014552
"217063"	290.480942666667	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+3H"	3.021828
"654432"	435.217776	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+3H"	3.021828
"1175837"	145.744109333333	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+3H"	3.021828
"432549"	886.454823	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+NH4"	18.033823
"795732"	1320.665323	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+NH4"	18.033823
"1685500"	452.244323	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+NH4"	18.033823
"333048"	443.7310495	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+H+NH4"	19.041099
"728751"	660.8362995	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+H+NH4"	19.041099
"1486583"	226.6257995	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H+NH4"	19.041099
"407090"	891.410218	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+Na"	22.989218
"768446"	1325.620718	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+Na"	22.989218
"1617765"	457.199718	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Na"	22.989218
"329954"	446.208747	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+H+Na"	23.996494
"720101"	663.313997	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+H+Na"	23.996494
"1472467"	229.103497	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H+Na"	23.996494
"1062793"	153.071423333333	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2H+Na"	25.00377
"1268845"	467.243986	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+CH3OH+H"	33.033486
"387420"	907.384158	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+K"	38.963158
"748414"	1341.594658	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+K"	38.963158
"1548279"	473.173658	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+K"	38.963158
"301444"	454.195717	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+H+K"	39.970434
"694595"	671.300967	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+H+K"	39.970434
"1450602"	237.090467	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H+K"	39.970434
"249060"	910.454826	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+ACN+H"	42.033826
"1223958"	476.244326	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+ACN+H"	42.033826
"1208206"	238.625801	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+ACN+2H"	43.041102
"194513"	913.39216	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+2Na-H"	44.97116
"632250"	1347.60266	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+2Na-H"	44.97116
"1144144"	479.18166	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2Na-H"	44.97116
"186844"	457.199718	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+2Na"	45.978436
"628230"	674.304968	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+2Na"	45.978436
"1130141"	240.094468	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2Na"	45.978436
"1412571"	160.398737333333	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H+2Na"	46.985712
"1444322"	481.223246	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H+HCOOH"	47.012746
"231100"	462.23274	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+3H2O+2H"	56.04448
"1518067"	495.27529	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+IsoProp+H"	61.06479
"419575"	465.186688	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+Na+K"	61.952376
"776926"	682.291938	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+Na+K"	61.952376
"1673984"	248.081438	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Na+K"	61.952376
"255035"	932.436768	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+ACN+Na"	64.015768
"1234307"	498.226268	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+ACN+Na"	64.015768
"1716631"	498.249793	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+NH4+HCOOH"	64.039293
"1181985"	167.726051333333	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+3Na"	68.967654
"1655158"	503.205188	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Na+HCOOH"	68.994688
"165305"	945.34004	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+2K-H"	76.91904
"605960"	1379.55054	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+2K-H"	76.91904
"1091569"	511.12954	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2K-H"	76.91904
"148387"	473.173658	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"2M+2K"	77.926316
"591594"	690.278908	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"3M+2K"	77.926316
"1078294"	256.068408	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2K"	77.926316
"1110775"	513.144092	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2K+H"	78.933592
"1348618"	513.231707	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+DMSO+H"	79.021207
"1018972"	517.270876	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2ACN+H"	83.060376
"1537823"	518.264508	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+IsoProp+Na+H"	84.054008
"1002447"	259.139076	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+2ACN+2H"	84.067652
"1601326"	519.179128	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+K+HCOOH"	84.968628
"1424067"	549.210638	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+H+CF3COOH"	115.000138
"1159822"	279.652351	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+3ACN+2H"	125.094202
"1708278"	566.237185	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+NH4+CF3COOH"	132.026685
"1637369"	571.19258	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+Na+CF3COOH"	136.98208
"1573018"	587.16652	"C12656"	"Paramethasone acetate"	"C24H31FO6"	"434.2105"	"M+K+CF3COOH"	152.95602
"804480"	554.2444	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M"	0
"989516"	535.22601	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-H2O-H"	-19.01839
"77800"	368.488990666667	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M-3H"	-3.021828
"508006"	553.237124	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M-3H"	-3.021828
"881434"	183.740857333333	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-3H"	-3.021828
"2560"	553.237124	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M-2H"	-2.014552
"443943"	830.359324	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M-2H"	-2.014552
"821747"	276.114924	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-2H"	-2.014552
"87212"	1107.481524	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M-H"	-1.007276
"521305"	1661.725924	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M-H"	-1.007276
"902387"	553.237124	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-H"	-1.007276
"53482"	1124.508071	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M-2H+NH4"	16.019271
"490854"	1678.752471	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M-2H+NH4"	16.019271
"866469"	570.263671	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-2H+NH4"	16.019271
"35462"	1129.463466	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M-2H+Na"	20.974666
"472837"	1683.707866	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M-2H+Na"	20.974666
"850637"	575.219066	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-2H+Na"	20.974666
"1620534"	575.219066	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Na-2H"	20.974666
"98883"	571.225463	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M-H+Cl"	33.962126
"543912"	848.347663	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M-H+Cl"	33.962126
"931958"	294.103263	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-H+Cl"	33.962126
"275981"	1143.458202	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+Cl"	34.969402
"661844"	1697.702602	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+Cl"	34.969402
"1275341"	589.213802	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Cl"	34.969402
"18991"	1145.437406	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M-2H+K"	36.948606
"455816"	1699.681806	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M-2H+K"	36.948606
"844746"	591.193006	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-2H+K"	36.948606
"1567503"	591.193006	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+K-2H"	36.948606
"955755"	599.242594	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-H+HCOOH"	44.998194
"375063"	1153.487001	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+HCOOH-H"	44.998201
"356028"	1167.502651	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+Hac-H"	59.013851
"1507055"	613.258251	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Hac-H"	59.013851
"971320"	621.224551	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-H+NaCOOH"	66.980151
"120954"	589.213802	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+2Cl"	69.938804
"556868"	866.336002	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+2Cl"	69.938804
"1024573"	312.091602	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2Cl"	69.938804
"1248157"	633.163285	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Br"	78.918885
"1313162"	635.219272	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Cl+HCOOH"	80.974872
"1334430"	657.201229	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Cl+NaCOOH"	102.956829
"921717"	667.229986	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M-H+CF3COOH"	112.985586
"1297335"	703.206664	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Cl+CF3COOH"	148.962264
"1369298"	519.231724	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H-2H2O"	-35.012676
"1384244"	537.2417	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H-H2O"	-17.0027
"296697"	1109.496076	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+H"	1.007276
"690211"	1663.740476	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+H"	1.007276
"1363647"	555.251676	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H"	1.007276
"137630"	555.251676	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+2H"	2.014552
"578285"	832.373876	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+2H"	2.014552
"1047086"	278.129476	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2H"	2.014552
"214987"	370.503542666667	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+3H"	3.021828
"654542"	555.251676	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+3H"	3.021828
"1172668"	185.755409333333	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+3H"	3.021828
"434847"	1126.522623	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+NH4"	18.033823
"792563"	1680.767023	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+NH4"	18.033823
"1685610"	572.278223	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+NH4"	18.033823
"334981"	563.7649495	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+H+NH4"	19.041099
"727768"	840.8871495	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+H+NH4"	19.041099
"1486693"	286.6427495	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H+NH4"	19.041099
"406471"	1131.478018	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+Na"	22.989218
"768435"	1685.722418	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+Na"	22.989218
"1616660"	577.233618	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Na"	22.989218
"327910"	566.242647	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+H+Na"	23.996494
"720577"	843.364847	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+H+Na"	23.996494
"1475127"	289.120447	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H+Na"	23.996494
"1061809"	193.082723333333	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2H+Na"	25.00377
"1267498"	587.277886	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+CH3OH+H"	33.033486
"388259"	1147.451958	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+K"	38.963158
"749983"	1701.696358	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+K"	38.963158
"1548389"	593.207558	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+K"	38.963158
"303377"	574.229617	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+H+K"	39.970434
"695798"	851.351817	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+H+K"	39.970434
"1447432"	297.107417	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H+K"	39.970434
"248075"	1150.522626	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+ACN+H"	42.033826
"1224068"	596.278226	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+ACN+H"	42.033826
"1208316"	298.642751	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+ACN+2H"	43.041102
"193166"	1153.45996	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+2Na-H"	44.97116
"631632"	1707.70436	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+2Na-H"	44.97116
"1145347"	599.21556	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2Na-H"	44.97116
"188507"	577.233618	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+2Na"	45.978436
"628418"	854.355818	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+2Na"	45.978436
"1129158"	300.111418	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2Na"	45.978436
"1411587"	200.410037333333	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H+2Na"	46.985712
"1444068"	601.257146	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H+HCOOH"	47.012746
"233397"	582.26664	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+3H2O+2H"	56.04448
"1519271"	615.30919	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+IsoProp+H"	61.06479
"420050"	585.220588	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+Na+K"	61.952376
"774485"	862.342788	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+Na+K"	61.952376
"1671908"	308.098388	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Na+K"	61.952376
"254052"	1172.504568	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+ACN+Na"	64.015768
"1234418"	618.260168	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+ACN+Na"	64.015768
"1717834"	618.283693	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+NH4+HCOOH"	64.039293
"1182095"	207.737351333333	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+3Na"	68.967654
"1655268"	623.239088	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Na+HCOOH"	68.994688
"165415"	1185.40784	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+2K-H"	76.91904
"607164"	1739.65224	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+2K-H"	76.91904
"1091679"	631.16344	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2K-H"	76.91904
"148497"	593.207558	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"2M+2K"	77.926316
"591704"	870.329758	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"3M+2K"	77.926316
"1078768"	316.085358	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2K"	77.926316
"1112343"	633.177992	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2K+H"	78.933592
"1349456"	633.265607	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+DMSO+H"	79.021207
"1018718"	637.304776	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2ACN+H"	83.060376
"1538661"	638.298408	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+IsoProp+Na+H"	84.054008
"1002922"	319.156026	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+2ACN+2H"	84.067652
"1601436"	639.213028	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+K+HCOOH"	84.968628
"1425270"	669.244538	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+H+CF3COOH"	115.000138
"1161025"	339.669301	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+3ACN+2H"	125.094202
"1708388"	686.271085	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+NH4+CF3COOH"	132.026685
"1637479"	691.22648	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+Na+CF3COOH"	136.98208
"1574222"	707.20042	"C12661"	"Pantethine"	"C22H42N4O8S2"	"554.2444"	"M+K+CF3COOH"	152.95602
"802767"	827.4667	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M"	0
"989303"	808.44831	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-H2O-H"	-19.01839
"78034"	550.637190666667	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M-3H"	-3.021828
"507022"	826.459424	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M-3H"	-3.021828
"882637"	274.814957333333	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-3H"	-3.021828
"3398"	826.459424	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M-2H"	-2.014552
"445146"	1240.192774	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M-2H"	-2.014552
"821857"	412.726074	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-2H"	-2.014552
"85136"	1653.926124	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M-H"	-1.007276
"525788"	2481.392824	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M-H"	-1.007276
"903591"	826.459424	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-H"	-1.007276
"51404"	1670.952671	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M-2H+NH4"	16.019271
"489870"	2498.419371	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M-2H+NH4"	16.019271
"864628"	843.485971	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-2H+NH4"	16.019271
"38852"	1675.908066	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M-2H+Na"	20.974666
"472947"	2503.374766	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M-2H+Na"	20.974666
"849288"	848.441366	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-2H+Na"	20.974666
"1619063"	848.441366	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Na-2H"	20.974666
"97901"	844.447763	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M-H+Cl"	33.962126
"545115"	1258.181113	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M-H+Cl"	33.962126
"935348"	430.714413	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-H+Cl"	33.962126
"276091"	1689.902802	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+Cl"	34.969402
"661954"	2517.369502	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+Cl"	34.969402
"1274358"	862.436102	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Cl"	34.969402
"19100"	1691.882006	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M-2H+K"	36.948606
"456467"	2519.348706	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M-2H+K"	36.948606
"846313"	864.415306	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-2H+K"	36.948606
"1567610"	864.415306	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+K-2H"	36.948606
"956231"	872.464894	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-H+HCOOH"	44.998194
"372618"	1699.931601	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+HCOOH-H"	44.998201
"354313"	1713.947251	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+Hac-H"	59.013851
"1507531"	886.480551	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Hac-H"	59.013851
"973982"	894.446851	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-H+NaCOOH"	66.980151
"122521"	862.436102	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+2Cl"	69.938804
"556978"	1276.169452	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+2Cl"	69.938804
"1026867"	448.702752	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2Cl"	69.938804
"1246445"	906.385585	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Br"	78.918885
"1313272"	908.441572	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Cl+HCOOH"	80.974872
"1332228"	930.423529	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Cl+NaCOOH"	102.956829
"921827"	940.452286	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M-H+CF3COOH"	112.985586
"1299631"	976.428964	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Cl+CF3COOH"	148.962264
"1370135"	792.454024	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H-2H2O"	-35.012676
"1384719"	810.464	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H-H2O"	-17.0027
"295714"	1655.940676	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+H"	1.007276
"690323"	2483.407376	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+H"	1.007276
"1365580"	828.473976	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H"	1.007276
"135553"	828.473976	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+2H"	2.014552
"579488"	1242.207326	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+2H"	2.014552
"1050110"	414.740626	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2H"	2.014552
"214003"	552.651742666667	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+3H"	3.021828
"656838"	828.473976	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+3H"	3.021828
"1176057"	276.829509333333	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+3H"	3.021828
"436051"	1672.967223	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+NH4"	18.033823
"795952"	2500.433923	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+NH4"	18.033823
"1686084"	845.500523	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+NH4"	18.033823
"335091"	836.9872495	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+H+NH4"	19.041099
"728242"	1250.7205995	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+H+NH4"	19.041099
"1486803"	423.2538995	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H+NH4"	19.041099
"407554"	1677.922618	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+Na"	22.989218
"768666"	2505.389318	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+Na"	22.989218
"1613486"	850.455918	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Na"	22.989218
"327898"	839.464947	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+H+Na"	23.996494
"720564"	1253.198297	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+H+Na"	23.996494
"1471952"	425.731597	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H+Na"	23.996494
"1064106"	284.156823333333	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2H+Na"	25.00377
"1267968"	860.500186	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+CH3OH+H"	33.033486
"387637"	1693.896558	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+K"	38.963158
"749728"	2521.363258	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+K"	38.963158
"1548498"	866.429858	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+K"	38.963158
"303487"	847.451917	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+H+K"	39.970434
"695908"	1261.185267	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+H+K"	39.970434
"1451917"	433.718567	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H+K"	39.970434
"240527"	1696.967226	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+ACN+H"	42.033826
"1223444"	869.500526	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+ACN+H"	42.033826
"1206239"	435.253901	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+ACN+2H"	43.041102
"192182"	1699.90456	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+2Na-H"	44.97116
"632106"	2527.37126	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+2Na-H"	44.97116
"1145093"	872.43786	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2Na-H"	44.97116
"188392"	850.455918	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+2Na"	45.978436
"628156"	1264.189268	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+2Na"	45.978436
"1125990"	436.722568	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2Na"	45.978436
"1408784"	291.484137333333	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H+2Na"	46.985712
"1440170"	874.479446	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H+HCOOH"	47.012746
"229134"	855.48894	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+3H2O+2H"	56.04448
"1513915"	888.53149	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+IsoProp+H"	61.06479
"417974"	858.442888	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+Na+K"	61.952376
"777874"	1272.176238	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+Na+K"	61.952376
"1673111"	444.709538	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Na+K"	61.952376
"257442"	1718.949168	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+ACN+Na"	64.015768
"1235621"	891.482468	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+ACN+Na"	64.015768
"1719037"	891.505993	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+NH4+HCOOH"	64.039293
"1181839"	298.811451333333	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+3Na"	68.967654
"1655378"	896.461388	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Na+HCOOH"	68.994688
"163701"	1731.85244	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+2K-H"	76.91904
"602900"	2559.31914	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+2K-H"	76.91904
"1090331"	904.38574	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2K-H"	76.91904
"145324"	866.429858	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"2M+2K"	77.926316
"591083"	1280.163208	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"3M+2K"	77.926316
"1075231"	452.696508	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2K"	77.926316
"1112089"	906.400292	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2K+H"	78.933592
"1349202"	906.487907	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+DMSO+H"	79.021207
"1018462"	910.527076	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2ACN+H"	83.060376
"1536586"	911.520708	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+IsoProp+Na+H"	84.054008
"1003761"	455.767176	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+2ACN+2H"	84.067652
"1598991"	912.435328	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+K+HCOOH"	84.968628
"1424285"	942.466838	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+H+CF3COOH"	115.000138
"1152387"	476.280451	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+3ACN+2H"	125.094202
"1699750"	959.493385	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+NH4+CF3COOH"	132.026685
"1637589"	964.44878	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+Na+CF3COOH"	136.98208
"1573239"	980.42272	"C12662"	"Leucomycin A3;Josamycin"	"C42H69NO15"	"827.4667"	"M+K+CF3COOH"	152.95602
"802512"	482.1917	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M"	0
"989835"	463.17331	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-H2O-H"	-19.01839
"78439"	320.453857333333	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M-3H"	-3.021828
"506039"	481.184424	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M-3H"	-3.021828
"882748"	159.723290666667	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-3H"	-3.021828
"2416"	481.184424	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M-2H"	-2.014552
"444163"	722.280274	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M-2H"	-2.014552
"820874"	240.088574	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-2H"	-2.014552
"85246"	963.376124	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M-H"	-1.007276
"523712"	1445.567824	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M-H"	-1.007276
"904794"	481.184424	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-H"	-1.007276
"51514"	980.402671	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M-2H+NH4"	16.019271
"489980"	1462.594371	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M-2H+NH4"	16.019271
"867781"	498.210971	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-2H+NH4"	16.019271
"38962"	985.358066	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M-2H+Na"	20.974666
"472564"	1467.549766	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M-2H+Na"	20.974666
"849885"	503.166366	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-2H+Na"	20.974666
"1621483"	503.166366	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Na-2H"	20.974666
"96918"	499.172763	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M-H+Cl"	33.962126
"540852"	740.268613	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M-H+Cl"	33.962126
"932178"	258.076913	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-H+Cl"	33.962126
"275108"	999.352802	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+Cl"	34.969402
"662792"	1481.544502	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+Cl"	34.969402
"1277746"	517.161102	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Cl"	34.969402
"18238"	1001.332006	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M-2H+K"	36.948606
"456946"	1483.523706	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M-2H+K"	36.948606
"847151"	519.140306	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-2H+K"	36.948606
"1567720"	519.140306	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+K-2H"	36.948606
"952327"	527.189894	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-H+HCOOH"	44.998194
"372728"	1009.381601	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+HCOOH-H"	44.998201
"353691"	1023.397251	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+Hac-H"	59.013851
"1505814"	541.205551	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Hac-H"	59.013851
"967524"	549.171851	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-H+NaCOOH"	66.980151
"121542"	517.161102	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+2Cl"	69.938804
"562193"	758.256952	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+2Cl"	69.938804
"1035367"	276.065252	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2Cl"	69.938804
"1254580"	561.110585	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Br"	78.918885
"1313382"	563.166572	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Cl+HCOOH"	80.974872
"1334772"	585.148529	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Cl+NaCOOH"	102.956829
"925219"	595.177286	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M-H+CF3COOH"	112.985586
"1296461"	631.153964	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Cl+CF3COOH"	148.962264
"1379000"	447.179024	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H-2H2O"	-35.012676
"1392122"	465.189	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H-H2O"	-17.0027
"295825"	965.390676	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+H"	1.007276
"690429"	1447.582376	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+H"	1.007276
"1363869"	483.198976	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H"	1.007276
"137850"	483.198976	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+2H"	2.014552
"575225"	724.294826	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+2H"	2.014552
"1047306"	242.103126	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2H"	2.014552
"217030"	322.468409333333	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+3H"	3.021828
"654765"	483.198976	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+3H"	3.021828
"1173981"	161.737842666667	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+3H"	3.021828
"433973"	982.417223	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+NH4"	18.033823
"794969"	1464.608923	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+NH4"	18.033823
"1685465"	500.225523	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+NH4"	18.033823
"335929"	491.7122495	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+H+NH4"	19.041099
"728352"	732.8080995	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+H+NH4"	19.041099
"1486913"	250.6163995	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H+NH4"	19.041099
"404504"	987.372618	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+Na"	22.989218
"764402"	1469.564318	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+Na"	22.989218
"1608128"	505.180918	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Na"	22.989218
"324726"	494.189947	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+H+Na"	23.996494
"717150"	735.285797	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+H+Na"	23.996494
"1468782"	253.094097	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H+Na"	23.996494
"1060936"	169.065156666667	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2H+Na"	25.00377
"1265891"	515.225186	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+CH3OH+H"	33.033486
"387747"	1003.346558	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+K"	38.963158
"745465"	1485.538258	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+K"	38.963158
"1548608"	521.154858	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+K"	38.963158
"303597"	502.176917	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+H+K"	39.970434
"694925"	743.272767	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+H+K"	39.970434
"1449839"	261.081067	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H+K"	39.970434
"241730"	1006.417226	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+ACN+H"	42.033826
"1222826"	524.225526	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+ACN+H"	42.033826
"1206713"	262.616401	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+ACN+2H"	43.041102
"194479"	1009.35456	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+2Na-H"	44.97116
"635132"	1491.54626	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+2Na-H"	44.97116
"1144474"	527.16286	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2Na-H"	44.97116
"187536"	505.180918	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+2Na"	45.978436
"628064"	746.276768	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+2Na"	45.978436
"1128287"	264.085068	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2Na"	45.978436
"1409987"	176.392470666667	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H+2Na"	46.985712
"1441739"	529.204446	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H+HCOOH"	47.012746
"228151"	510.21394	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+3H2O+2H"	56.04448
"1516212"	543.25649	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+IsoProp+H"	61.06479
"414804"	513.167888	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+Na+K"	61.952376
"773610"	754.263738	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+Na+K"	61.952376
"1671033"	272.072038	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Na+K"	61.952376
"257552"	1028.399168	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+ACN+Na"	64.015768
"1236460"	546.207468	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+ACN+Na"	64.015768
"1718054"	546.230993	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+NH4+HCOOH"	64.039293
"1181584"	183.719784666667	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+3Na"	68.967654
"1655488"	551.186388	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Na+HCOOH"	68.994688
"163447"	1041.30244	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+2K-H"	76.91904
"603740"	1523.49414	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+2K-H"	76.91904
"1092264"	559.11074	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2K-H"	76.91904
"147621"	521.154858	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"2M+2K"	77.926316
"591560"	762.250708	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"3M+2K"	77.926316
"1081175"	280.059008	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2K"	77.926316
"1113656"	561.125292	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2K+H"	78.933592
"1349557"	561.212907	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+DMSO+H"	79.021207
"1019667"	565.252076	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2ACN+H"	83.060376
"1538153"	566.245708	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+IsoProp+Na+H"	84.054008
"1002778"	283.129676	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+2ACN+2H"	84.067652
"1599829"	567.160328	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+K+HCOOH"	84.968628
"1424395"	597.191838	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+H+CF3COOH"	115.000138
"1151404"	303.642951	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+3ACN+2H"	125.094202
"1699860"	614.218385	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+NH4+CF3COOH"	132.026685
"1637699"	619.17378	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+Na+CF3COOH"	136.98208
"1573713"	635.14772	"C12666"	"Prednisolone sodium succinate"	"C25H31O8Na"	"482.1917"	"M+K+CF3COOH"	152.95602
"811371"	626.1483	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M"	0
"989121"	607.12991	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-H2O-H"	-19.01839
"77157"	416.424924	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M-3H"	-3.021828
"513803"	625.141024	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M-3H"	-3.021828
"894399"	207.708824	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-3H"	-3.021828
"13458"	625.141024	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M-2H"	-2.014552
"447550"	938.215174	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M-2H"	-2.014552
"824264"	312.066874	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-2H"	-2.014552
"84263"	1251.289324	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M-H"	-1.007276
"521636"	1877.437624	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M-H"	-1.007276
"900531"	625.141024	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-H"	-1.007276
"49438"	1268.315871	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M-2H+NH4"	16.019271
"491184"	1894.464171	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M-2H+NH4"	16.019271
"873358"	642.167571	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-2H+NH4"	16.019271
"37979"	1273.271266	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M-2H+Na"	20.974666
"475354"	1899.419566	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M-2H+Na"	20.974666
"849630"	647.122966	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-2H+Na"	20.974666
"1620135"	647.122966	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Na-2H"	20.974666
"98122"	643.129363	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M-H+Cl"	33.962126
"540961"	956.203513	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M-H+Cl"	33.962126
"932288"	330.055213	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-H+Cl"	33.962126
"274124"	1287.266002	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+Cl"	34.969402
"663267"	1913.414302	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+Cl"	34.969402
"1276765"	661.117702	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Cl"	34.969402
"18227"	1289.245206	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M-2H+K"	36.948606
"456692"	1915.393506	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M-2H+K"	36.948606
"845439"	663.096906	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-2H+K"	36.948606
"1563458"	663.096906	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+K-2H"	36.948606
"952438"	671.146494	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-H+HCOOH"	44.998194
"367370"	1297.294801	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+HCOOH-H"	44.998201
"349064"	1311.310451	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+Hac-H"	59.013851
"1508238"	685.162151	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Hac-H"	59.013851
"967270"	693.128451	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-H+NaCOOH"	66.980151
"121652"	661.117702	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+2Cl"	69.938804
"563396"	974.191852	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+2Cl"	69.938804
"1034019"	348.043552	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2Cl"	69.938804
"1253231"	705.067185	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Br"	78.918885
"1313491"	707.123172	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Cl+HCOOH"	80.974872
"1333179"	729.105129	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Cl+NaCOOH"	102.956829
"923143"	739.133886	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M-H+CF3COOH"	112.985586
"1291104"	775.110564	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Cl+CF3COOH"	148.962264
"1368899"	591.135624	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H-2H2O"	-35.012676
"1392232"	609.1456	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H-H2O"	-17.0027
"295933"	1253.303876	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+H"	1.007276
"688716"	1879.452176	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+H"	1.007276
"1363977"	627.155576	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H"	1.007276
"136866"	627.155576	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+2H"	2.014552
"576427"	940.229726	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+2H"	2.014552
"1047416"	314.081426	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2H"	2.014552
"214223"	418.439476	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+3H"	3.021828
"654875"	627.155576	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+3H"	3.021828
"1171905"	209.723376	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+3H"	3.021828
"435176"	1270.330423	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+NH4"	18.033823
"793986"	1896.478723	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+NH4"	18.033823
"1687762"	644.182123	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+NH4"	18.033823
"334946"	635.6688495	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+H+NH4"	19.041099
"728828"	948.7429995	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+H+NH4"	19.041099
"1487023"	322.5946995	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H+NH4"	19.041099
"405706"	1275.285818	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+Na"	22.989218
"765606"	1901.434118	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+Na"	22.989218
"1611518"	649.137518	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Na"	22.989218
"328116"	638.146547	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+H+Na"	23.996494
"716167"	951.220697	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+H+Na"	23.996494
"1472172"	325.072397	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H+Na"	23.996494
"1063233"	217.05069	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2H+Na"	25.00377
"1267095"	659.181786	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+CH3OH+H"	33.033486
"386764"	1291.259758	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+K"	38.963158
"747759"	1917.408058	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+K"	38.963158
"1551999"	665.111458	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+K"	38.963158
"302613"	646.133517	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+H+K"	39.970434
"697222"	959.207667	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+H+K"	39.970434
"1447762"	333.059367	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H+K"	39.970434
"242934"	1294.330426	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+ACN+H"	42.033826
"1222206"	668.182126	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+ACN+H"	42.033826
"1206094"	334.594701	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+ACN+2H"	43.041102
"194589"	1297.26776	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+2Na-H"	44.97116
"638522"	1923.41606	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+2Na-H"	44.97116
"1145313"	671.11946	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2Na-H"	44.97116
"188131"	649.137518	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+2Na"	45.978436
"627077"	962.211668	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+2Na"	45.978436
"1126209"	336.063368	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2Na"	45.978436
"1410823"	224.378004	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H+2Na"	46.985712
"1441118"	673.161046	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H+HCOOH"	47.012746
"229354"	654.17054	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+3H2O+2H"	56.04448
"1516322"	687.21309	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+IsoProp+H"	61.06479
"417099"	657.124488	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+Na+K"	61.952376
"775177"	970.198638	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+Na+K"	61.952376
"1668955"	344.050338	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Na+K"	61.952376
"253651"	1316.312368	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+ACN+Na"	64.015768
"1233655"	690.164068	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+ACN+Na"	64.015768
"1715976"	690.187593	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+NH4+HCOOH"	64.039293
"1178939"	231.705318	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+3Na"	68.967654
"1655962"	695.142988	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Na+HCOOH"	68.994688
"162463"	1329.21564	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+2K-H"	76.91904
"605307"	1955.36394	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+2K-H"	76.91904
"1090915"	703.06734	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2K-H"	76.91904
"145544"	665.111458	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"2M+2K"	77.926316
"592034"	978.185608	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"3M+2K"	77.926316
"1076910"	352.037308	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2K"	77.926316
"1113766"	705.081892	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2K+H"	78.933592
"1349911"	705.169507	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+DMSO+H"	79.021207
"1019657"	709.208676	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2ACN+H"	83.060376
"1538628"	710.202308	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+IsoProp+Na+H"	84.054008
"1004346"	355.107976	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+2ACN+2H"	84.067652
"1599211"	711.116928	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+K+HCOOH"	84.968628
"1421223"	741.148438	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+H+CF3COOH"	115.000138
"1154792"	375.621251	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+3ACN+2H"	125.094202
"1697780"	758.174985	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+NH4+CF3COOH"	132.026685
"1637809"	763.13038	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+Na+CF3COOH"	136.98208
"1572729"	779.10432	"C12667"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside;Baimaside;Quercetin 3-beta-D-sophoroside;Quercetin 3-O-sophoroside;QUOSP"	"C27H30O17"	"626.1483"	"M+K+CF3COOH"	152.95602
"804920"	788.2011	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M"	0
"989024"	769.18271	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-H2O-H"	-19.01839
"77716"	524.460124	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M-3H"	-3.021828
"516101"	787.193824	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M-3H"	-3.021828
"893780"	261.726424	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-3H"	-3.021828
"12475"	787.193824	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M-2H"	-2.014552
"443287"	1181.294374	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M-2H"	-2.014552
"828745"	393.093274	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-2H"	-2.014552
"85466"	1575.394924	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M-H"	-1.007276
"525026"	2363.596024	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M-H"	-1.007276
"903921"	787.193824	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-H"	-1.007276
"48819"	1592.421471	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M-2H+NH4"	16.019271
"491294"	2380.622571	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M-2H+NH4"	16.019271
"873468"	804.220371	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-2H+NH4"	16.019271
"38089"	1597.376866	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M-2H+Na"	20.974666
"475464"	2385.577966	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M-2H+Na"	20.974666
"849620"	809.175766	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-2H+Na"	20.974666
"1621704"	809.175766	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Na-2H"	20.974666
"103700"	805.182163	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M-H+Cl"	33.962126
"543989"	1199.282713	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M-H+Cl"	33.962126
"933494"	411.081613	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-H+Cl"	33.962126
"275330"	1611.371602	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+Cl"	34.969402
"665564"	2399.572702	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+Cl"	34.969402
"1280155"	823.170502	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Cl"	34.969402
"18337"	1613.350806	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M-2H+K"	36.948606
"457166"	2401.551906	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M-2H+K"	36.948606
"843362"	825.149706	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-2H+K"	36.948606
"1560287"	825.149706	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+K-2H"	36.948606
"955828"	833.199294	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-H+HCOOH"	44.998194
"367480"	1621.400401	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+HCOOH-H"	44.998201
"349175"	1635.416051	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+Hac-H"	59.013851
"1508101"	847.214951	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Hac-H"	59.013851
"973944"	855.181251	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-H+NaCOOH"	66.980151
"122127"	823.170502	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+2Cl"	69.938804
"563749"	1217.271052	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+2Cl"	69.938804
"1033764"	429.069952	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2Cl"	69.938804
"1250059"	867.119985	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Br"	78.918885
"1312508"	869.175972	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Cl+HCOOH"	80.974872
"1334991"	891.157929	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Cl+NaCOOH"	102.956829
"922159"	901.186686	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M-H+CF3COOH"	112.985586
"1296681"	937.163364	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Cl+CF3COOH"	148.962264
"1368281"	753.188424	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H-2H2O"	-35.012676
"1392342"	771.1984	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H-H2O"	-17.0027
"283643"	1577.409476	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+H"	1.007276
"689555"	2365.610576	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+H"	1.007276
"1363359"	789.208376	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H"	1.007276
"138799"	789.208376	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+2H"	2.014552
"575446"	1183.308926	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+2H"	2.014552
"1047526"	395.107826	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2H"	2.014552
"213240"	526.474676	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+3H"	3.021828
"654987"	789.208376	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+3H"	3.021828
"1174202"	263.740976	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+3H"	3.021828
"434193"	1594.436023	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+NH4"	18.033823
"798835"	2382.637123	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+NH4"	18.033823
"1688601"	806.234923	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+NH4"	18.033823
"335056"	797.7216495	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+H+NH4"	19.041099
"731125"	1191.8221995	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+H+NH4"	19.041099
"1489320"	403.6210995	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H+NH4"	19.041099
"402533"	1599.391418	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+Na"	22.989218
"765720"	2387.592518	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+Na"	22.989218
"1612722"	811.190318	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Na"	22.989218
"328226"	800.199347	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+H+Na"	23.996494
"719556"	1194.299897	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+H+Na"	23.996494
"1475562"	406.098797	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H+Na"	23.996494
"1065529"	271.06829	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2H+Na"	25.00377
"1268299"	821.234586	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+CH3OH+H"	33.033486
"387967"	1615.365358	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+K"	38.963158
"746777"	2403.566458	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+K"	38.963158
"1552109"	827.164258	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+K"	38.963158
"303818"	808.186317	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+H+K"	39.970434
"691619"	1202.286867	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+H+K"	39.970434
"1448238"	414.085767	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H+K"	39.970434
"240122"	1618.436026	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+ACN+H"	42.033826
"1224383"	830.234926	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+ACN+H"	42.033826
"1206204"	415.621101	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+ACN+2H"	43.041102
"195793"	1621.37336	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+2Na-H"	44.97116
"640819"	2409.57446	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+2Na-H"	44.97116
"1145787"	833.17226	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2Na-H"	44.97116
"188362"	811.190318	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+2Na"	45.978436
"627065"	1205.290868	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+2Na"	45.978436
"1125224"	417.089768	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2Na"	45.978436
"1409840"	278.395604	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H+2Na"	46.985712
"1439769"	835.213846	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H+HCOOH"	47.012746
"229464"	816.22334	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+3H2O+2H"	56.04448
"1520806"	849.26589	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+IsoProp+H"	61.06479
"419396"	819.177288	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+Na+K"	61.952376
"776382"	1213.277838	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+Na+K"	61.952376
"1670888"	425.076738	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Na+K"	61.952376
"257408"	1640.417968	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+ACN+Na"	64.015768
"1233765"	852.216868	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+ACN+Na"	64.015768
"1719369"	852.240393	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+NH4+HCOOH"	64.039293
"1185816"	285.722918	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+3Na"	68.967654
"1661176"	857.195788	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Na+HCOOH"	68.994688
"161479"	1653.32124	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+2K-H"	76.91904
"602137"	2441.52234	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+2K-H"	76.91904
"1087745"	865.12014	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2K-H"	76.91904
"145654"	827.164258	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"2M+2K"	77.926316
"592144"	1221.264808	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"3M+2K"	77.926316
"1077384"	433.063708	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2K"	77.926316
"1113512"	867.134692	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2K+H"	78.933592
"1349896"	867.222307	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+DMSO+H"	79.021207
"1019519"	871.261476	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2ACN+H"	83.060376
"1538734"	872.255108	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+IsoProp+Na+H"	84.054008
"1003360"	436.134376	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+2ACN+2H"	84.067652
"1600050"	873.169728	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+K+HCOOH"	84.968628
"1421334"	903.201238	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+H+CF3COOH"	115.000138
"1152715"	456.647651	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+3ACN+2H"	125.094202
"1700079"	920.227785	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+NH4+CF3COOH"	132.026685
"1637919"	925.18318	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+Na+CF3COOH"	136.98208
"1572110"	941.15712	"C12668"	"Quercetin 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside;Quercetin 3-sophorotrioside"	"C33H40O22"	"788.2011"	"M+K+CF3COOH"	152.95602
"801951"	200.0597	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M"	0
"987312"	181.04131	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-H2O-H"	-19.01839
"75555"	132.365857333333	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M-3H"	-3.021828
"504179"	199.052424	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M-3H"	-3.021828
"891824"	65.6792906666667	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-3H"	-3.021828
"12585"	199.052424	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M-2H"	-2.014552
"443397"	299.082274	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M-2H"	-2.014552
"827761"	99.022574	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-2H"	-2.014552
"91043"	399.112124	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M-H"	-1.007276
"525136"	599.171824	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M-H"	-1.007276
"905124"	199.052424	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-H"	-1.007276
"48929"	416.138671	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M-2H+NH4"	16.019271
"491404"	616.198371	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M-2H+NH4"	16.019271
"873578"	216.078971	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-2H+NH4"	16.019271
"38199"	421.094066	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M-2H+Na"	20.974666
"475574"	621.153766	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M-2H+Na"	20.974666
"850094"	221.034366	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-2H+Na"	20.974666
"1620720"	221.034366	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Na-2H"	20.974666
"99436"	217.040763	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M-H+Cl"	33.962126
"541182"	317.070613	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M-H+Cl"	33.962126
"934696"	117.010913	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-H+Cl"	33.962126
"277262"	435.088802	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+Cl"	34.969402
"667860"	635.148502	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+Cl"	34.969402
"1279171"	235.029102	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Cl"	34.969402
"20997"	437.068006	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M-2H+K"	36.948606
"462379"	637.127706	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M-2H+K"	36.948606
"844565"	237.008306	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-2H+K"	36.948606
"1561489"	237.008306	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+K-2H"	36.948606
"951564"	245.057894	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-H+HCOOH"	44.998194
"365403"	445.117601	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+HCOOH-H"	44.998201
"348555"	459.133251	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+Hac-H"	59.013851
"1498121"	259.073551	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Hac-H"	59.013851
"967852"	267.039851	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-H+NaCOOH"	66.980151
"111661"	235.029102	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+2Cl"	69.938804
"550489"	335.058952	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+2Cl"	69.938804
"1032779"	134.999252	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2Cl"	69.938804
"1249076"	278.978585	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Br"	78.918885
"1309336"	281.034572	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Cl+HCOOH"	80.974872
"1335222"	303.016529	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Cl+NaCOOH"	102.956829
"921176"	313.045286	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M-H+CF3COOH"	112.985586
"1296791"	349.021964	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Cl+CF3COOH"	148.962264
"1368755"	165.047024	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H-2H2O"	-35.012676
"1392452"	183.057	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H-H2O"	-17.0027
"283143"	401.126676	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+H"	1.007276
"686750"	601.186376	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+H"	1.007276
"1362007"	201.066976	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H"	1.007276
"135990"	201.066976	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+2H"	2.014552
"577377"	301.096826	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+2H"	2.014552
"1048730"	101.037126	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2H"	2.014552
"214080"	134.380409333333	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+3H"	3.021828
"654003"	201.066976	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+3H"	3.021828
"1174312"	67.6938426666667	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+3H"	3.021828
"434303"	418.153223	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+NH4"	18.033823
"798945"	618.212923	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+NH4"	18.033823
"1687982"	218.093523	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+NH4"	18.033823
"335166"	209.5802495	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+H+NH4"	19.041099
"729049"	309.6100995	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+H+NH4"	19.041099
"1487243"	109.5503995	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H+NH4"	19.041099
"400457"	423.108618	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+Na"	22.989218
"767892"	623.168318	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+Na"	22.989218
"1611739"	223.048918	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Na"	22.989218
"326150"	212.057947	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+H+Na"	23.996494
"719302"	312.087797	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+H+Na"	23.996494
"1474579"	112.028097	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H+Na"	23.996494
"1064545"	75.0211566666667	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2H+Na"	25.00377
"1267315"	233.093186	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+CH3OH+H"	33.033486
"384798"	439.082558	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+K"	38.963158
"746886"	639.142258	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+K"	38.963158
"1551126"	239.022858	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+K"	38.963158
"303928"	220.044917	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+H+K"	39.970434
"694524"	320.074767	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+H+K"	39.970434
"1447984"	120.015067	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H+K"	39.970434
"241326"	442.153226	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+ACN+H"	42.033826
"1223522"	242.093526	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+ACN+H"	42.033826
"1203033"	121.550401	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+ACN+2H"	43.041102
"196996"	445.09056	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+2Na-H"	44.97116
"638742"	645.15026	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+2Na-H"	44.97116
"1144440"	245.03086	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2Na-H"	44.97116
"185910"	223.048918	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+2Na"	45.978436
"627053"	323.078768	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+2Na"	45.978436
"1123147"	123.019068	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2Na"	45.978436
"1409222"	82.3484706666667	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H+2Na"	46.985712
"1435505"	247.072446	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H+HCOOH"	47.012746
"229573"	228.08194	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+3H2O+2H"	56.04448
"1517634"	261.12449	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+IsoProp+H"	61.06479
"418413"	231.035888	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+Na+K"	61.952376
"776855"	331.065738	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+Na+K"	61.952376
"1671362"	131.006038	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Na+K"	61.952376
"254964"	464.135168	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+ACN+Na"	64.015768
"1232777"	264.075468	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+ACN+Na"	64.015768
"1720207"	264.098993	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+NH4+HCOOH"	64.039293
"1184467"	89.6757846666667	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+3Na"	68.967654
"1653630"	269.054388	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Na+HCOOH"	68.994688
"161589"	477.03844	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+2K-H"	76.91904
"603340"	677.09814	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+2K-H"	76.91904
"1088948"	276.97874	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2K-H"	76.91904
"142605"	239.022858	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"2M+2K"	77.926316
"589701"	339.052708	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"3M+2K"	77.926316
"1072390"	138.993008	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2K"	77.926316
"1112526"	278.993292	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2K+H"	78.933592
"1348910"	279.080907	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+DMSO+H"	79.021207
"1019990"	283.120076	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2ACN+H"	83.060376
"1535928"	284.113708	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+IsoProp+Na+H"	84.054008
"999095"	142.063676	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+2ACN+2H"	84.067652
"1599795"	285.028328	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+K+HCOOH"	84.968628
"1421444"	315.059838	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+H+CF3COOH"	115.000138
"1149909"	162.576951	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+3ACN+2H"	125.094202
"1699095"	332.086385	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+NH4+CF3COOH"	132.026685
"1638029"	337.04178	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+Na+CF3COOH"	136.98208
"1572220"	353.01572	"C12673"	"Tegafur"	"C8H9FN2O3"	"200.0597"	"M+K+CF3COOH"	152.95602
"805140"	387.0114	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M"	0
"987422"	367.99301	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-H2O-H"	-19.01839
"76758"	257.000324	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M-3H"	-3.021828
"505382"	386.004124	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M-3H"	-3.021828
"894851"	127.996524	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-3H"	-3.021828
"10509"	386.004124	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M-2H"	-2.014552
"443507"	579.509824	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M-2H"	-2.014552
"828600"	192.498424	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-2H"	-2.014552
"92125"	773.015524	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M-H"	-1.007276
"525246"	1160.026924	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M-H"	-1.007276
"904141"	386.004124	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-H"	-1.007276
"51955"	790.042071	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M-2H+NH4"	16.019271
"495888"	1177.053471	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M-2H+NH4"	16.019271
"873688"	403.030671	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-2H+NH4"	16.019271
"38309"	794.997466	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M-2H+Na"	20.974666
"481152"	1182.008866	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M-2H+Na"	20.974666
"851299"	407.986066	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-2H+Na"	20.974666
"1619374"	407.986066	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Na-2H"	20.974666
"99544"	403.992463	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M-H+Cl"	33.962126
"541292"	597.498163	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M-H+Cl"	33.962126
"933714"	210.486763	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-H+Cl"	33.962126
"274455"	808.992202	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+Cl"	34.969402
"665056"	1196.003602	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+Cl"	34.969402
"1279281"	421.980802	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Cl"	34.969402
"21836"	810.971406	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M-2H+K"	36.948606
"465770"	1197.982806	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M-2H+K"	36.948606
"846861"	423.960006	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-2H+K"	36.948606
"1559048"	423.960006	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+K-2H"	36.948606
"953862"	432.009594	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-H+HCOOH"	44.998194
"365513"	819.021001	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+HCOOH-H"	44.998201
"348300"	833.036651	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+Hac-H"	59.013851
"1502606"	446.025251	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Hac-H"	59.013851
"969423"	453.991551	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-H+NaCOOH"	66.980151
"110307"	421.980802	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+2Cl"	69.938804
"550599"	615.486502	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+2Cl"	69.938804
"1032889"	228.475102	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2Cl"	69.938804
"1249186"	465.930285	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Br"	78.918885
"1309446"	467.986272	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Cl+HCOOH"	80.974872
"1334603"	489.968229	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Cl+NaCOOH"	102.956829
"919099"	499.996986	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M-H+CF3COOH"	112.985586
"1293620"	535.973664	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Cl+CF3COOH"	148.962264
"1376157"	351.998724	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H-2H2O"	-35.012676
"1384174"	370.0087	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H-H2O"	-17.0027
"284594"	775.030076	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+H"	1.007276
"690141"	1162.041476	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+H"	1.007276
"1362117"	388.018676	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H"	1.007276
"137193"	388.018676	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+2H"	2.014552
"578217"	581.524376	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+2H"	2.014552
"1048477"	194.512976	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2H"	2.014552
"216012"	259.014876	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+3H"	3.021828
"657028"	388.018676	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+3H"	3.021828
"1174422"	130.011076	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+3H"	3.021828
"434413"	792.056623	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+NH4"	18.033823
"796503"	1179.068023	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+NH4"	18.033823
"1687728"	405.045223	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+NH4"	18.033823
"337828"	396.5319495	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+H+NH4"	19.041099
"731343"	590.0376495	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+H+NH4"	19.041099
"1484071"	203.0262495	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H+NH4"	19.041099
"400567"	797.012018	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+Na"	22.989218
"768123"	1184.023418	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+Na"	22.989218
"1611849"	410.000618	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Na"	22.989218
"326260"	399.009647	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+H+Na"	23.996494
"720505"	592.515347	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+H+Na"	23.996494
"1474689"	205.503947	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H+Na"	23.996494
"1062468"	137.33839	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2H+Na"	25.00377
"1266331"	420.044886	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+CH3OH+H"	33.033486
"386001"	812.985958	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+K"	38.963158
"745902"	1199.997358	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+K"	38.963158
"1550143"	425.974558	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+K"	38.963158
"305132"	406.996617	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+H+K"	39.970434
"695362"	600.502317	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+H+K"	39.970434
"1448458"	213.490917	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H+K"	39.970434
"242166"	816.056626	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+ACN+H"	42.033826
"1224731"	429.045226	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+ACN+H"	42.033826
"1207882"	215.026251	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+ACN+2H"	43.041102
"202823"	818.99396	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+2Na-H"	44.97116
"642625"	1206.00536	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+2Na-H"	44.97116
"1146375"	431.98256	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2Na-H"	44.97116
"184924"	410.000618	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+2Na"	45.978436
"627289"	603.506318	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+2Na"	45.978436
"1123256"	216.494918	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2Na"	45.978436
"1406780"	144.665704	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H+2Na"	46.985712
"1435615"	434.024146	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H+HCOOH"	47.012746
"230777"	415.03364	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+3H2O+2H"	56.04448
"1521026"	448.07619	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+IsoProp+H"	61.06479
"420711"	417.987588	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+Na+K"	61.952376
"776238"	611.493288	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+Na+K"	61.952376
"1673661"	224.481888	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Na+K"	61.952376
"256897"	838.038568	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+ACN+Na"	64.015768
"1233617"	451.027168	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+ACN+Na"	64.015768
"1721776"	451.050693	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+NH4+HCOOH"	64.039293
"1179147"	151.993018	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+3Na"	68.967654
"1650131"	456.006088	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Na+HCOOH"	68.994688
"162794"	850.94184	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+2K-H"	76.91904
"607823"	1237.95324	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+2K-H"	76.91904
"1089058"	463.93044	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2K-H"	76.91904
"142715"	425.974558	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"2M+2K"	77.926316
"586531"	619.480258	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"3M+2K"	77.926316
"1074323"	232.468858	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2K"	77.926316
"1112636"	465.944992	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2K+H"	78.933592
"1348291"	466.032607	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+DMSO+H"	79.021207
"1019008"	470.071776	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2ACN+H"	83.060376
"1538348"	471.065408	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+IsoProp+Na+H"	84.054008
"1004798"	235.539526	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+2ACN+2H"	84.067652
"1602624"	471.980028	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+K+HCOOH"	84.968628
"1424835"	502.011538	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+H+CF3COOH"	115.000138
"1158404"	256.052801	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+3ACN+2H"	125.094202
"1702487"	519.038085	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+NH4+CF3COOH"	132.026685
"1638139"	523.99348	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+Na+CF3COOH"	136.98208
"1573789"	539.96742	"C12675"	"Benzylhydrochlorothiazide"	"C14H14ClN3O4S2"	"387.0114"	"M+K+CF3COOH"	152.95602
"802334"	343.1532	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M"	0
"987532"	324.13481	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-H2O-H"	-19.01839
"74681"	227.761524	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M-3H"	-3.021828
"505492"	342.145924	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M-3H"	-3.021828
"888764"	113.377124	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-3H"	-3.021828
"7338"	342.145924	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M-2H"	-2.014552
"441430"	513.722524	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M-2H"	-2.014552
"817769"	170.569324	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-2H"	-2.014552
"93209"	685.299124	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M-H"	-1.007276
"533256"	1028.452324	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M-H"	-1.007276
"908383"	342.145924	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-H"	-1.007276
"52065"	702.325671	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M-2H+NH4"	16.019271
"498914"	1045.478871	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M-2H+NH4"	16.019271
"876350"	359.172471	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-2H+NH4"	16.019271
"38419"	707.281066	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M-2H+Na"	20.974666
"480169"	1050.434266	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M-2H+Na"	20.974666
"852503"	364.127866	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-2H+Na"	20.974666
"1623129"	364.127866	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Na-2H"	20.974666
"97469"	360.134263	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M-H+Cl"	33.962126
"540309"	531.710863	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M-H+Cl"	33.962126
"933824"	188.557663	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-H+Cl"	33.962126
"272379"	721.275802	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+Cl"	34.969402
"665896"	1064.429002	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+Cl"	34.969402
"1278297"	378.122602	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Cl"	34.969402
"23039"	723.255006	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M-2H+K"	36.948606
"465880"	1066.408206	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M-2H+K"	36.948606
"841505"	380.101806	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-2H+K"	36.948606
"1559521"	380.101806	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+K-2H"	36.948606
"948498"	388.151394	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-H+HCOOH"	44.998194
"365620"	731.304601	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+HCOOH-H"	44.998201
"353872"	745.320251	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+Hac-H"	59.013851
"1496876"	402.167051	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Hac-H"	59.013851
"966980"	410.133351	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-H+NaCOOH"	66.980151
"110211"	378.122602	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+2Cl"	69.938804
"550340"	549.699202	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+2Cl"	69.938804
"1032999"	206.546002	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2Cl"	69.938804
"1247110"	422.072085	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Br"	78.918885
"1307370"	424.128072	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Cl+HCOOH"	80.974872
"1333256"	446.110029	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Cl+NaCOOH"	102.956829
"919209"	456.138786	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M-H+CF3COOH"	112.985586
"1293730"	492.115464	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Cl+CF3COOH"	148.962264
"1369706"	308.140524	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H-2H2O"	-35.012676
"1383062"	326.1505	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H-H2O"	-17.0027
"284704"	687.313676	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+H"	1.007276
"689523"	1030.466876	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+H"	1.007276
"1365507"	344.160476	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H"	1.007276
"136210"	344.160476	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+2H"	2.014552
"579784"	515.737076	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+2H"	2.014552
"1048949"	172.583876	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2H"	2.014552
"217945"	229.776076	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+3H"	3.021828
"658594"	344.160476	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+3H"	3.021828
"1173439"	115.391676	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+3H"	3.021828
"435616"	704.340223	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+NH4"	18.033823
"793333"	1047.493423	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+NH4"	18.033823
"1686744"	361.187023	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+NH4"	18.033823
"336845"	352.6737495	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+H+NH4"	19.041099
"732546"	524.2503495	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+H+NH4"	19.041099
"1484181"	181.0971495	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H+NH4"	19.041099
"400677"	709.295618	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+Na"	22.989218
"766046"	1052.448818	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+Na"	22.989218
"1615239"	366.142418	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Na"	22.989218
"323088"	355.151447	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+H+Na"	23.996494
"717698"	526.728047	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+H+Na"	23.996494
"1469331"	183.574847	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H+Na"	23.996494
"1060391"	122.71899	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2H+Na"	25.00377
"1266441"	376.186686	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+CH3OH+H"	33.033486
"382829"	725.269558	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+K"	38.963158
"744919"	1068.422758	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+K"	38.963158
"1549158"	382.116358	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+K"	38.963158
"304148"	363.138417	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+H+K"	39.970434
"697661"	534.715017	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+H+K"	39.970434
"1447106"	191.561817	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H+K"	39.970434
"236032"	728.340226	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+ACN+H"	42.033826
"1216079"	385.187026	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+ACN+H"	42.033826
"1198868"	193.097151	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+ACN+2H"	43.041102
"202810"	731.27756	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+2Na-H"	44.97116
"642613"	1074.43076	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+2Na-H"	44.97116
"1146446"	388.12436	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2Na-H"	44.97116
"186858"	366.142418	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+2Na"	45.978436
"626789"	537.719018	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+2Na"	45.978436
"1120086"	194.565818	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2Na"	45.978436
"1405796"	130.046304	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H+2Na"	46.985712
"1435725"	390.165946	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H+HCOOH"	47.012746
"227607"	371.17544	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+3H2O+2H"	56.04448
"1520772"	404.21799	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+IsoProp+H"	61.06479
"417542"	374.129388	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+Na+K"	61.952376
"774525"	545.705988	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+Na+K"	61.952376
"1675958"	202.552788	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Na+K"	61.952376
"258830"	750.322168	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+ACN+Na"	64.015768
"1230810"	407.168968	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+ACN+Na"	64.015768
"1718603"	407.192493	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+NH4+HCOOH"	64.039293
"1179458"	137.373618	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+3Na"	68.967654
"1650321"	412.147888	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Na+HCOOH"	68.994688
"161811"	763.22544	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+2K-H"	76.91904
"606840"	1106.37864	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+2K-H"	76.91904
"1088075"	420.07224	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2K-H"	76.91904
"144891"	382.116358	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"2M+2K"	77.926316
"586641"	553.692958	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"3M+2K"	77.926316
"1074433"	210.539758	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2K"	77.926316
"1114328"	422.086792	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2K+H"	78.933592
"1346214"	422.174407	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+DMSO+H"	79.021207
"1019483"	426.213576	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2ACN+H"	83.060376
"1538702"	427.207208	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+IsoProp+Na+H"	84.054008
"1003570"	213.610426	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+2ACN+2H"	84.067652
"1602644"	428.121828	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+K+HCOOH"	84.968628
"1423852"	458.153338	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+H+CF3COOH"	115.000138
"1157421"	234.123701	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+3ACN+2H"	125.094202
"1702597"	475.179885	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+NH4+CF3COOH"	132.026685
"1638249"	480.13528	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+Na+CF3COOH"	136.98208
"1573170"	496.10922	"C12677"	"Acrinol;Ethacridine lactate"	"C15H15N3OC3H6O3"	"343.1532"	"M+K+CF3COOH"	152.95602
"811921"	371.0924	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M"	0
"987643"	352.07401	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-H2O-H"	-19.01839
"73698"	246.387657333333	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M-3H"	-3.021828
"509977"	370.085124	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M-3H"	-3.021828
"888874"	122.690190666667	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-3H"	-3.021828
"4168"	370.085124	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M-2H"	-2.014552
"444820"	555.631324	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M-2H"	-2.014552
"825904"	184.538924	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-2H"	-2.014552
"92348"	741.177524	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M-H"	-1.007276
"532760"	1112.269924	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M-H"	-1.007276
"906549"	370.085124	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-H"	-1.007276
"58735"	758.204071	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M-2H+NH4"	16.019271
"499388"	1129.296471	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M-2H+NH4"	16.019271
"875004"	387.111671	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-2H+NH4"	16.019271
"37438"	763.159466	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M-2H+Na"	20.974666
"481372"	1134.251866	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M-2H+Na"	20.974666
"856986"	392.067066	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-2H+Na"	20.974666
"1627613"	392.067066	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Na-2H"	20.974666
"104141"	388.073463	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M-H+Cl"	33.962126
"542607"	573.619663	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M-H+Cl"	33.962126
"937215"	202.527263	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-H+Cl"	33.962126
"278323"	777.154202	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+Cl"	34.969402
"665640"	1148.246602	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+Cl"	34.969402
"1280593"	406.061802	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Cl"	34.969402
"24243"	779.133406	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M-2H+K"	36.948606
"463803"	1150.225806	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M-2H+K"	36.948606
"842710"	408.041006	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-2H+K"	36.948606
"1565101"	408.041006	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+K-2H"	36.948606
"951890"	416.090594	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-H+HCOOH"	44.998194
"366824"	787.183001	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+HCOOH-H"	44.998201
"352162"	801.198651	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+Hac-H"	59.013851
"1495164"	430.106251	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Hac-H"	59.013851
"968183"	438.072551	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-H+NaCOOH"	66.980151
"110401"	406.061802	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+2Cl"	69.938804
"550449"	591.608002	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+2Cl"	69.938804
"1021920"	220.515602	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2Cl"	69.938804
"1242844"	450.011285	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Br"	78.918885
"1307480"	452.067272	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Cl+HCOOH"	80.974872
"1334459"	474.049229	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Cl+NaCOOH"	102.956829
"922601"	484.077986	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M-H+CF3COOH"	112.985586
"1293840"	520.054664	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Cl+CF3COOH"	148.962264
"1369816"	336.079724	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H-2H2O"	-35.012676
"1383294"	354.0897	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H-H2O"	-17.0027
"292469"	743.192076	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+H"	1.007276
"677599"	1114.284476	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+H"	1.007276
"1354312"	372.099676	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H"	1.007276
"138508"	372.099676	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+2H"	2.014552
"578804"	557.645876	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+2H"	2.014552
"1048697"	186.553476	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2H"	2.014552
"216958"	248.402209333333	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+3H"	3.021828
"656881"	372.099676	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+3H"	3.021828
"1172454"	124.704742666667	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+3H"	3.021828
"433539"	760.218623	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+NH4"	18.033823
"791619"	1131.311023	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+NH4"	18.033823
"1687587"	389.126223	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+NH4"	18.033823
"338051"	380.6129495	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+H+NH4"	19.041099
"731563"	566.1591495	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+H+NH4"	19.041099
"1485386"	195.0667495	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H+NH4"	19.041099
"402974"	765.174018	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+Na"	22.989218
"763968"	1136.266418	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+Na"	22.989218
"1605506"	394.081618	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Na"	22.989218
"321011"	383.090647	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+H+Na"	23.996494
"714524"	568.636847	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+H+Na"	23.996494
"1468346"	197.544447	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H+Na"	23.996494
"1057215"	132.032056666667	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2H+Na"	25.00377
"1258042"	404.125886	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+CH3OH+H"	33.033486
"379657"	781.147958	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+K"	38.963158
"741748"	1152.240358	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+K"	38.963158
"1540058"	410.055558	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+K"	38.963158
"300610"	391.077617	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+H+K"	39.970434
"691402"	576.623817	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+H+K"	39.970434
"1445754"	205.531417	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H+K"	39.970434
"236177"	784.218626	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+ACN+H"	42.033826
"1211203"	413.126226	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+ACN+H"	42.033826
"1194963"	207.066751	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+ACN+2H"	43.041102
"203531"	787.15596	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+2Na-H"	44.97116
"643900"	1158.24836	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+2Na-H"	44.97116
"1145509"	416.06356	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2Na-H"	44.97116
"187453"	394.081618	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+2Na"	45.978436
"627624"	579.627818	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+2Na"	45.978436
"1120196"	208.535418	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2Na"	45.978436
"1404812"	139.359370666667	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H+2Na"	46.985712
"1435835"	418.105146	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H+HCOOH"	47.012746
"224436"	399.11464	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+3H2O+2H"	56.04448
"1512497"	432.15719	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+IsoProp+H"	61.06479
"411455"	402.068588	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+Na+K"	61.952376
"774271"	587.614788	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+Na+K"	61.952376
"1671696"	216.522388	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Na+K"	61.952376
"260400"	806.200568	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+ACN+Na"	64.015768
"1232743"	435.108168	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+ACN+Na"	64.015768
"1718713"	435.131693	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+NH4+HCOOH"	64.039293
"1179812"	146.686684666667	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+3Na"	68.967654
"1650551"	440.087088	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Na+HCOOH"	68.994688
"160827"	819.10384	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+2K-H"	76.91904
"606950"	1190.19624	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+2K-H"	76.91904
"1091465"	448.01144	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2K-H"	76.91904
"145001"	410.055558	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"2M+2K"	77.926316
"584564"	595.601758	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"3M+2K"	77.926316
"1076729"	224.509358	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2K"	77.926316
"1103380"	450.025992	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2K+H"	78.933592
"1345231"	450.113607	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+DMSO+H"	79.021207
"1017040"	454.152776	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2ACN+H"	83.060376
"1537719"	455.146408	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+IsoProp+Na+H"	84.054008
"1003801"	227.580026	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+2ACN+2H"	84.067652
"1598303"	456.061028	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+K+HCOOH"	84.968628
"1423962"	486.092538	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+H+CF3COOH"	115.000138
"1148782"	248.093301	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+3ACN+2H"	125.094202
"1699427"	503.119085	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+NH4+CF3COOH"	132.026685
"1638359"	508.07448	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+Na+CF3COOH"	136.98208
"1573280"	524.04842	"C12679"	"Berberine chloride"	"C20H18NO4Cl"	"371.0924"	"M+K+CF3COOH"	152.95602
"805470"	389.0271	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M"	0
"984472"	370.00871	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-H2O-H"	-19.01839
"73808"	258.344124	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M-3H"	-3.021828
"511180"	388.019824	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M-3H"	-3.021828
"888984"	128.668424	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-3H"	-3.021828
"4278"	388.019824	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M-2H"	-2.014552
"442015"	582.533374	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M-2H"	-2.014552
"825650"	193.506274	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-2H"	-2.014552
"93429"	777.046924	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M-H"	-1.007276
"533234"	1166.074024	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M-H"	-1.007276
"906659"	388.019824	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-H"	-1.007276
"60668"	794.073471	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M-2H+NH4"	16.019271
"501564"	1183.100571	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M-2H+NH4"	16.019271
"877301"	405.046371	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-2H+NH4"	16.019271
"40829"	799.028866	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M-2H+Na"	20.974666
"481482"	1188.055966	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M-2H+Na"	20.974666
"859283"	410.001766	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-2H+Na"	20.974666
"1623351"	410.001766	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Na-2H"	20.974666
"102066"	406.008163	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M-H+Cl"	33.962126
"541625"	600.521713	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M-H+Cl"	33.962126
"935140"	211.494613	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-H+Cl"	33.962126
"275882"	813.023602	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+Cl"	34.969402
"667210"	1202.050702	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+Cl"	34.969402
"1278523"	423.996502	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Cl"	34.969402
"22170"	815.002806	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M-2H+K"	36.948606
"465008"	1204.029906	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M-2H+K"	36.948606
"842819"	425.975706	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-2H+K"	36.948606
"1564118"	425.975706	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+K-2H"	36.948606
"949813"	434.025294	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-H+HCOOH"	44.998194
"365842"	823.052401	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+HCOOH-H"	44.998201
"352999"	837.068051	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+Hac-H"	59.013851
"1502933"	448.040951	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Hac-H"	59.013851
"961730"	456.007251	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-H+NaCOOH"	66.980151
"111006"	423.996502	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+2Cl"	69.938804
"555671"	618.510052	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+2Cl"	69.938804
"1023376"	229.482952	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2Cl"	69.938804
"1256924"	467.945985	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Br"	78.918885
"1314153"	470.001972	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Cl+HCOOH"	80.974872
"1330556"	491.983929	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Cl+NaCOOH"	102.956829
"919429"	502.012686	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M-H+CF3COOH"	112.985586
"1292126"	537.989364	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Cl+CF3COOH"	148.962264
"1379770"	354.014424	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H-2H2O"	-35.012676
"1390704"	372.0244	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H-H2O"	-17.0027
"291486"	779.061476	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+H"	1.007276
"685001"	1168.088576	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+H"	1.007276
"1362444"	390.034376	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H"	1.007276
"140077"	390.034376	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+2H"	2.014552
"578913"	584.547926	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+2H"	2.014552
"1049168"	195.520826	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2H"	2.014552
"217067"	260.358676	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+3H"	3.021828
"656627"	390.034376	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+3H"	3.021828
"1172565"	130.682976	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+3H"	3.021828
"433651"	796.088023	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+NH4"	18.033823
"792092"	1185.115123	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+NH4"	18.033823
"1689882"	407.060923	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+NH4"	18.033823
"337067"	398.5476495	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+H+NH4"	19.041099
"733864"	593.0611995	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+H+NH4"	19.041099
"1485496"	204.0340995	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H+NH4"	19.041099
"401991"	801.043418	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+Na"	22.989218
"766267"	1190.070518	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+Na"	22.989218
"1609991"	412.016318	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Na"	22.989218
"322215"	401.025347	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+H+Na"	23.996494
"716824"	595.538897	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+H+Na"	23.996494
"1466269"	206.511797	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H+Na"	23.996494
"1055141"	138.01029	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2H+Na"	25.00377
"1264475"	422.060586	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+CH3OH+H"	33.033486
"379038"	817.017358	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+K"	38.963158
"741858"	1206.044458	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+K"	38.963158
"1540181"	427.990258	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+K"	38.963158
"301449"	409.012317	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+H+K"	39.970434
"691760"	603.525867	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+H+K"	39.970434
"1445987"	214.498767	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H+K"	39.970434
"236047"	820.088026	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+ACN+H"	42.033826
"1210826"	431.060926	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+ACN+H"	42.033826
"1195075"	216.034101	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+ACN+2H"	43.041102
"203889"	823.02536	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+2Na-H"	44.97116
"643856"	1212.05246	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+2Na-H"	44.97116
"1146903"	433.99826	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2Na-H"	44.97116
"188295"	412.016318	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+2Na"	45.978436
"627976"	606.529868	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+2Na"	45.978436
"1122492"	217.502768	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2Na"	45.978436
"1406016"	145.337604	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H+2Na"	46.985712
"1434851"	436.039846	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H+HCOOH"	47.012746
"223452"	417.04934	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+3H2O+2H"	56.04448
"1514794"	450.09189	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+IsoProp+H"	61.06479
"415574"	420.003288	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+Na+K"	61.952376
"777663"	614.516838	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+Na+K"	61.952376
"1672897"	225.489738	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Na+K"	61.952376
"260509"	842.069968	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+ACN+Na"	64.015768
"1234315"	453.042868	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+ACN+Na"	64.015768
"1718096"	453.066393	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+NH4+HCOOH"	64.039293
"1186367"	152.664918	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+3Na"	68.967654
"1651154"	458.021788	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Na+HCOOH"	68.994688
"164219"	854.97324	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+2K-H"	76.91904
"609251"	1244.00034	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+2K-H"	76.91904
"1091575"	465.94614	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2K-H"	76.91904
"142924"	427.990258	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"2M+2K"	77.926316
"586860"	622.503808	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"3M+2K"	77.926316
"1072465"	233.476708	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2K"	77.926316
"1101904"	467.960692	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2K+H"	78.933592
"1339871"	468.048307	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+DMSO+H"	79.021207
"1011683"	472.087476	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2ACN+H"	83.060376
"1537343"	473.081108	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+IsoProp+Na+H"	84.054008
"1004521"	236.547376	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+2ACN+2H"	84.067652
"1599508"	473.995728	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+K+HCOOH"	84.968628
"1427353"	504.027238	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+H+CF3COOH"	115.000138
"1155454"	257.060651	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+3ACN+2H"	125.094202
"1700631"	521.053785	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+NH4+CF3COOH"	132.026685
"1635188"	526.00918	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+Na+CF3COOH"	136.98208
"1575213"	541.98312	"C12685"	"Cyclothiazide"	"C14H16ClN3O4S2"	"389.0271"	"M+K+CF3COOH"	152.95602
"805580"	361.0345	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M"	0
"984582"	342.01611	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-H2O-H"	-19.01839
"76834"	239.682390666667	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M-3H"	-3.021828
"512383"	360.027224	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M-3H"	-3.021828
"889094"	119.337557333333	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-3H"	-3.021828
"4388"	360.027224	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M-2H"	-2.014552
"445041"	540.544474	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M-2H"	-2.014552
"825760"	179.509974	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-2H"	-2.014552
"91594"	721.061724	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M-H"	-1.007276
"532494"	1082.096224	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M-H"	-1.007276
"906769"	360.027224	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-H"	-1.007276
"60778"	738.088271	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M-2H+NH4"	16.019271
"498515"	1099.122771	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M-2H+NH4"	16.019271
"877411"	377.053771	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-2H+NH4"	16.019271
"42033"	743.043666	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M-2H+Na"	20.974666
"479405"	1104.078166	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M-2H+Na"	20.974666
"858300"	382.009166	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-2H+Na"	20.974666
"1623461"	382.009166	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Na-2H"	20.974666
"101083"	378.015563	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M-H+Cl"	33.962126
"541734"	558.532813	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M-H+Cl"	33.962126
"931970"	197.498313	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-H+Cl"	33.962126
"271983"	757.038402	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+Cl"	34.969402
"668411"	1118.072902	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+Cl"	34.969402
"1278633"	396.003902	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Cl"	34.969402
"20821"	759.017606	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M-2H+K"	36.948606
"467302"	1120.052106	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M-2H+K"	36.948606
"840742"	397.983106	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-2H+K"	36.948606
"1563135"	397.983106	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+K-2H"	36.948606
"944819"	406.032694	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-H+HCOOH"	44.998194
"363400"	767.067201	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+HCOOH-H"	44.998201
"352379"	781.082851	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+Hac-H"	59.013851
"1498670"	420.048351	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Hac-H"	59.013851
"961840"	428.014651	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-H+NaCOOH"	66.980151
"110103"	396.003902	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+2Cl"	69.938804
"549958"	576.521152	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+2Cl"	69.938804
"1021375"	215.486652	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2Cl"	69.938804
"1255829"	439.953385	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Br"	78.918885
"1314263"	442.009372	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Cl+HCOOH"	80.974872
"1330666"	463.991329	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Cl+NaCOOH"	102.956829
"919539"	474.020086	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M-H+CF3COOH"	112.985586
"1290779"	509.996764	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Cl+CF3COOH"	148.962264
"1368938"	326.021824	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H-2H2O"	-35.012676
"1389721"	344.0318	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H-H2O"	-17.0027
"283938"	723.076276	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+H"	1.007276
"685111"	1084.110776	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+H"	1.007276
"1353806"	362.041776	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H"	1.007276
"139455"	362.041776	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+2H"	2.014552
"579753"	542.559026	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+2H"	2.014552
"1049643"	181.524526	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2H"	2.014552
"217906"	241.696942666667	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+3H"	3.021828
"658559"	362.041776	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+3H"	3.021828
"1174861"	121.352109333333	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+3H"	3.021828
"433761"	740.102823	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+NH4"	18.033823
"791474"	1101.137323	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+NH4"	18.033823
"1689992"	379.068323	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+NH4"	18.033823
"337177"	370.5550495	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+H+NH4"	19.041099
"731787"	551.0722995	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+H+NH4"	19.041099
"1485606"	190.0377995	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H+NH4"	19.041099
"402101"	745.058218	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+Na"	22.989218
"766013"	1106.092718	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+Na"	22.989218
"1610101"	384.023718	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Na"	22.989218
"322325"	373.032747	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+H+Na"	23.996494
"716934"	553.549997	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+H+Na"	23.996494
"1466379"	192.515497	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H+Na"	23.996494
"1056344"	128.679423333333	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2H+Na"	25.00377
"1264585"	394.067986	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+CH3OH+H"	33.033486
"378784"	761.032158	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+K"	38.963158
"741603"	1122.066658	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+K"	38.963158
"1540001"	399.997658	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+K"	38.963158
"301195"	381.019717	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+H+K"	39.970434
"691824"	561.536967	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+H+K"	39.970434
"1445887"	200.502467	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H+K"	39.970434
"235810"	764.102826	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+ACN+H"	42.033826
"1210572"	403.068326	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+ACN+H"	42.033826
"1194821"	202.037801	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+ACN+2H"	43.041102
"204229"	767.04016	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+2Na-H"	44.97116
"644201"	1128.07466	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+2Na-H"	44.97116
"1146199"	406.00566	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2Na-H"	44.97116
"183534"	384.023718	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+2Na"	45.978436
"625652"	564.540968	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+2Na"	45.978436
"1125883"	203.506468	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2Na"	45.978436
"1406125"	136.006737333333	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H+2Na"	46.985712
"1434960"	408.047246	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H+HCOOH"	47.012746
"223562"	389.05674	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+3H2O+2H"	56.04448
"1512718"	422.09929	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+IsoProp+H"	61.06479
"415685"	392.010688	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+Na+K"	61.952376
"777773"	572.527938	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+Na+K"	61.952376
"1670821"	211.493438	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Na+K"	61.952376
"258433"	786.084768	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+ACN+Na"	64.015768
"1233332"	425.050268	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+ACN+Na"	64.015768
"1717842"	425.073793	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+NH4+HCOOH"	64.039293
"1186477"	143.334051333333	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+3Na"	68.967654
"1651021"	430.029188	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Na+HCOOH"	68.994688
"164329"	798.98804	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+2K-H"	76.91904
"610454"	1160.02254	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+2K-H"	76.91904
"1091685"	437.95354	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2K-H"	76.91904
"146314"	399.997658	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"2M+2K"	77.926316
"588063"	580.514908	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"3M+2K"	77.926316
"1074762"	219.480408	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2K"	77.926316
"1106877"	439.968092	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2K+H"	78.933592
"1343262"	440.055707	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+DMSO+H"	79.021207
"1015074"	444.094876	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2ACN+H"	83.060376
"1535389"	445.088508	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+IsoProp+Na+H"	84.054008
"1002928"	222.551076	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+2ACN+2H"	84.067652
"1596338"	446.003128	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+K+HCOOH"	84.968628
"1424183"	476.034638	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+H+CF3COOH"	115.000138
"1155563"	243.064351	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+3ACN+2H"	125.094202
"1700741"	493.061185	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+NH4+CF3COOH"	132.026685
"1634933"	498.01658	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+Na+CF3COOH"	136.98208
"1575323"	513.99052	"C12691"	"Cefacetrile sodium;Cephacetrile sodium"	"C13H12N3O6SNa"	"361.0345"	"M+K+CF3COOH"	152.95602
"816391"	508.2273	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M"	0
"989639"	489.20891	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-H2O-H"	-19.01839
"76215"	337.810924	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M-3H"	-3.021828
"517478"	507.220024	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M-3H"	-3.021828
"890297"	168.401824	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-3H"	-3.021828
"5591"	507.220024	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M-2H"	-2.014552
"448432"	761.333674	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M-2H"	-2.014552
"828057"	253.106374	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-2H"	-2.014552
"91462"	1015.447324	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M-H"	-1.007276
"533457"	1523.674624	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M-H"	-1.007276
"907972"	507.220024	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-H"	-1.007276
"56880"	1032.473871	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M-2H+NH4"	16.019271
"500208"	1540.701171	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M-2H+NH4"	16.019271
"875336"	524.246571	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-2H+NH4"	16.019271
"44817"	1037.429266	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M-2H+Na"	20.974666
"483891"	1545.656566	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M-2H+Na"	20.974666
"861692"	529.201966	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-2H+Na"	20.974666
"1626852"	529.201966	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Na-2H"	20.974666
"102286"	525.208363	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M-H+Cl"	33.962126
"549260"	779.322013	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M-H+Cl"	33.962126
"941924"	271.094713	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-H+Cl"	33.962126
"280721"	1051.424002	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+Cl"	34.969402
"672897"	1559.651302	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+Cl"	34.969402
"1280562"	543.196702	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Cl"	34.969402
"23484"	1053.403206	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M-2H+K"	36.948606
"466321"	1561.630506	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M-2H+K"	36.948606
"843038"	545.175906	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-2H+K"	36.948606
"1568349"	545.175906	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+K-2H"	36.948606
"947848"	553.225494	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-H+HCOOH"	44.998194
"364602"	1061.452801	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+HCOOH-H"	44.998201
"349578"	1075.468451	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+Hac-H"	59.013851
"1500967"	567.241151	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Hac-H"	59.013851
"965231"	575.207451	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-H+NaCOOH"	66.980151
"111957"	543.196702	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+2Cl"	69.938804
"550421"	797.310352	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+2Cl"	69.938804
"1021774"	289.083052	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2Cl"	69.938804
"1256547"	587.146185	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Br"	78.918885
"1318749"	589.202172	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Cl+HCOOH"	80.974872
"1331870"	611.184129	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Cl+NaCOOH"	102.956829
"919649"	621.212886	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M-H+CF3COOH"	112.985586
"1297449"	657.189564	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Cl+CF3COOH"	148.962264
"1370143"	473.214624	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H-2H2O"	-35.012676
"1393111"	491.2246	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H-H2O"	-17.0027
"284170"	1017.461876	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+H"	1.007276
"684128"	1525.689176	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+H"	1.007276
"1355009"	509.234576	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H"	1.007276
"139575"	509.234576	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+2H"	2.014552
"578768"	763.348226	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+2H"	2.014552
"1049754"	255.120926	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2H"	2.014552
"218747"	339.825476	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+3H"	3.021828
"657943"	509.234576	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+3H"	3.021828
"1178014"	170.416376	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+3H"	3.021828
"437151"	1034.488423	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+NH4"	18.033823
"795958"	1542.715723	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+NH4"	18.033823
"1691195"	526.261123	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+NH4"	18.033823
"340568"	517.7478495	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+H+NH4"	19.041099
"731894"	771.8614995	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+H+NH4"	19.041099
"1485716"	263.6341995	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H+NH4"	19.041099
"405492"	1039.443818	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+Na"	22.989218
"767223"	1547.671118	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+Na"	22.989218
"1616773"	531.216518	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Na"	22.989218
"324622"	520.225547	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+H+Na"	23.996494
"721300"	774.339197	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+H+Na"	23.996494
"1468676"	266.111897	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H+Na"	23.996494
"1059735"	177.74369	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2H+Na"	25.00377
"1267976"	541.260786	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+CH3OH+H"	33.033486
"383269"	1055.417758	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+K"	38.963158
"745358"	1563.645058	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+K"	38.963158
"1545225"	547.190458	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+K"	38.963158
"306776"	528.212517	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+H+K"	39.970434
"695913"	782.326167	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+H+K"	39.970434
"1446453"	274.098867	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H+K"	39.970434
"236314"	1058.488426	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+ACN+H"	42.033826
"1213236"	550.261126	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+ACN+H"	42.033826
"1197120"	275.634201	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+ACN+2H"	43.041102
"203245"	1061.42576	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+2Na-H"	44.97116
"643293"	1569.65306	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+2Na-H"	44.97116
"1144365"	553.19846	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2Na-H"	44.97116
"185101"	531.216518	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+2Na"	45.978436
"624669"	785.330168	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+2Na"	45.978436
"1120524"	277.102868	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2Na"	45.978436
"1404778"	185.071004	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H+2Na"	46.985712
"1435070"	555.240046	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H+HCOOH"	47.012746
"225859"	536.24954	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+3H2O+2H"	56.04448
"1513922"	569.29209	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+IsoProp+H"	61.06479
"418713"	539.203488	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+Na+K"	61.952376
"778976"	793.317138	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+Na+K"	61.952376
"1674211"	285.089838	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Na+K"	61.952376
"260366"	1080.470368	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+ACN+Na"	64.015768
"1234535"	572.243068	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+ACN+Na"	64.015768
"1717952"	572.266593	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+NH4+HCOOH"	64.039293
"1187316"	192.398318	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+3Na"	68.967654
"1650197"	577.221988	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Na+HCOOH"	68.994688
"165166"	1093.37364	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+2K-H"	76.91904
"604002"	1601.60094	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+2K-H"	76.91904
"1092890"	585.14634	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2K-H"	76.91904
"150800"	547.190458	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"2M+2K"	77.926316
"587081"	801.304108	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"3M+2K"	77.926316
"1074873"	293.076808	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2K"	77.926316
"1104801"	587.160892	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2K+H"	78.933592
"1340094"	587.248507	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+DMSO+H"	79.021207
"1010812"	591.287676	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2ACN+H"	83.060376
"1534405"	592.281308	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+IsoProp+Na+H"	84.054008
"999759"	296.147476	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+2ACN+2H"	84.067652
"1598635"	593.195928	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+K+HCOOH"	84.968628
"1426481"	623.227438	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+H+CF3COOH"	115.000138
"1154581"	316.660751	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+3ACN+2H"	125.094202
"1699758"	640.253985	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+NH4+CF3COOH"	132.026685
"1637596"	645.20938	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+Na+CF3COOH"	136.98208
"1575433"	661.18332	"C12695"	"Difluprednate"	"C27H34F2O7"	"508.2273"	"M+K+CF3COOH"	152.95602
"802884"	516.1331	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M"	0
"987718"	497.11471	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-H2O-H"	-19.01839
"69763"	343.081457333333	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M-3H"	-3.021828
"517710"	515.125824	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M-3H"	-3.021828
"890407"	171.037090666667	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-3H"	-3.021828
"5701"	515.125824	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M-2H"	-2.014552
"445262"	773.192374	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M-2H"	-2.014552
"823064"	257.059274	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-2H"	-2.014552
"92426"	1031.258924	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M-H"	-1.007276
"533813"	1547.392024	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M-H"	-1.007276
"905895"	515.125824	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-H"	-1.007276
"55897"	1048.285471	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M-2H+NH4"	16.019271
"500439"	1564.418571	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M-2H+NH4"	16.019271
"877270"	532.152371	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-2H+NH4"	16.019271
"41160"	1053.240866	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M-2H+Na"	20.974666
"484000"	1569.373966	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M-2H+Na"	20.974666
"861802"	537.107766	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-2H+Na"	20.974666
"1630242"	537.107766	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Na-2H"	20.974666
"103491"	533.114163	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M-H+Cl"	33.962126
"548520"	791.180713	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M-H+Cl"	33.962126
"941550"	275.047613	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-H+Cl"	33.962126
"281316"	1067.235602	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+Cl"	34.969402
"674346"	1583.368702	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+Cl"	34.969402
"1281038"	551.102502	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Cl"	34.969402
"23594"	1069.214806	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M-2H+K"	36.948606
"465338"	1585.347906	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M-2H+K"	36.948606
"838775"	553.081706	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-2H+K"	36.948606
"1562262"	553.081706	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+K-2H"	36.948606
"946865"	561.131294	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-H+HCOOH"	44.998194
"363254"	1077.264401	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+HCOOH-H"	44.998201
"348596"	1091.280051	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+Hac-H"	59.013851
"1498891"	575.146951	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Hac-H"	59.013851
"968621"	583.113251	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-H+NaCOOH"	66.980151
"120815"	551.102502	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+2Cl"	69.938804
"554908"	809.169052	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+2Cl"	69.938804
"1030268"	293.035952	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2Cl"	69.938804
"1255685"	595.051985	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Br"	78.918885
"1318131"	597.107972	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Cl+HCOOH"	80.974872
"1330887"	619.089929	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Cl+NaCOOH"	102.956829
"920853"	629.118686	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M-H+CF3COOH"	112.985586
"1297559"	665.095364	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Cl+CF3COOH"	148.962264
"1373533"	481.120424	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H-2H2O"	-35.012676
"1393221"	499.1304	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H-H2O"	-17.0027
"287439"	1033.273476	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+H"	1.007276
"686425"	1549.406576	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+H"	1.007276
"1354026"	517.140376	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H"	1.007276
"140047"	517.140376	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+2H"	2.014552
"579968"	775.206926	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+2H"	2.014552
"1050959"	259.073826	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2H"	2.014552
"219226"	345.096009333333	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+3H"	3.021828
"659392"	517.140376	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+3H"	3.021828
"1177635"	173.051642666667	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+3H"	3.021828
"436168"	1050.300023	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+NH4"	18.033823
"793882"	1566.433123	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+NH4"	18.033823
"1688025"	534.166923	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+NH4"	18.033823
"338491"	525.6536495	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+H+NH4"	19.041099
"732004"	783.7201995	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+H+NH4"	19.041099
"1484733"	267.5870995	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H+NH4"	19.041099
"405969"	1055.255418	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+Na"	22.989218
"767696"	1571.388518	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+Na"	22.989218
"1616519"	539.122318	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Na"	22.989218
"318171"	528.131347	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+H+Na"	23.996494
"717153"	786.197897	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+H+Na"	23.996494
"1464413"	270.064797	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H+Na"	23.996494
"1059845"	180.378956666667	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2H+Na"	25.00377
"1268086"	549.166586	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+CH3OH+H"	33.033486
"381193"	1071.229358	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+K"	38.963158
"743282"	1587.362458	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+K"	38.963158
"1548615"	555.096258	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+K"	38.963158
"307980"	536.118317	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+H+K"	39.970434
"699305"	794.184867	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+H+K"	39.970434
"1447049"	278.051767	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H+K"	39.970434
"237477"	1074.300026	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+ACN+H"	42.033826
"1211766"	558.166926	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+ACN+H"	42.033826
"1200510"	279.587101	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+ACN+2H"	43.041102
"203598"	1077.23736	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+2Na-H"	44.97116
"640603"	1593.37046	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+2Na-H"	44.97116
"1145815"	561.10426	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2Na-H"	44.97116
"185211"	539.122318	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+2Na"	45.978436
"625512"	797.188868	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+2Na"	45.978436
"1122458"	281.055768	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2Na"	45.978436
"1407440"	187.706270666667	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H+2Na"	46.985712
"1437369"	563.145846	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H+HCOOH"	47.012746
"227062"	544.15534	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+3H2O+2H"	56.04448
"1514760"	577.19789	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+IsoProp+H"	61.06479
"418823"	547.109288	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+Na+K"	61.952376
"780181"	805.175838	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+Na+K"	61.952376
"1675414"	289.042738	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Na+K"	61.952376
"259747"	1096.281968	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+ACN+Na"	64.015768
"1234281"	580.148868	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+ACN+Na"	64.015768
"1718790"	580.172393	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+NH4+HCOOH"	64.039293
"1182321"	195.033584666667	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+3Na"	68.967654
"1651964"	585.127788	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Na+HCOOH"	68.994688
"163455"	1109.18524	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+2K-H"	76.91904
"607393"	1625.31834	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+2K-H"	76.91904
"1094093"	593.05214	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2K-H"	76.91904
"150910"	555.096258	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"2M+2K"	77.926316
"587191"	813.162808	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"3M+2K"	77.926316
"1074984"	297.029708	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2K"	77.926316
"1101997"	595.066692	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2K+H"	78.933592
"1338018"	595.154307	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+DMSO+H"	79.021207
"1013110"	599.193476	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2ACN+H"	83.060376
"1530142"	600.187108	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+IsoProp+Na+H"	84.054008
"1000963"	300.100376	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+2ACN+2H"	84.067652
"1598747"	601.101728	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+K+HCOOH"	84.968628
"1425498"	631.133238	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+H+CF3COOH"	115.000138
"1155784"	320.613651	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+3ACN+2H"	125.094202
"1699868"	648.159785	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+NH4+CF3COOH"	132.026685
"1637706"	653.11518	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+Na+CF3COOH"	136.98208
"1573356"	669.08912	"C12712"	"Carindacillin sodium;Carbenicillin indanyl sodium"	"C26H25N2O6SNa"	"516.1331"	"M+K+CF3COOH"	152.95602
"812471"	359.1288	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M"	0
"988193"	340.11041	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-H2O-H"	-19.01839
"75340"	238.411924	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M-3H"	-3.021828
"515996"	358.121524	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M-3H"	-3.021828
"890517"	118.702324	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-3H"	-3.021828
"7998"	358.121524	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M-2H"	-2.014552
"443183"	537.685924	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M-2H"	-2.014552
"823174"	178.557124	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-2H"	-2.014552
"93268"	717.250324	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M-H"	-1.007276
"533683"	1076.379124	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M-H"	-1.007276
"910514"	358.121524	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-H"	-1.007276
"60386"	734.276871	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M-2H+NH4"	16.019271
"499946"	1093.405671	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M-2H+NH4"	16.019271
"877383"	375.148071	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-2H+NH4"	16.019271
"46502"	739.232266	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M-2H+Na"	20.974666
"483018"	1098.361066	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M-2H+Na"	20.974666
"861914"	380.103466	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-2H+Na"	20.974666
"1632177"	380.103466	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Na-2H"	20.974666
"107978"	376.109863	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M-H+Cl"	33.962126
"547533"	555.674263	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M-H+Cl"	33.962126
"942469"	196.545463	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-H+Cl"	33.962126
"282283"	753.227002	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+Cl"	34.969402
"673968"	1112.355802	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+Cl"	34.969402
"1278961"	394.098202	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Cl"	34.969402
"20785"	755.206206	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M-2H+K"	36.948606
"461071"	1114.335006	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M-2H+K"	36.948606
"838885"	396.077406	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-2H+K"	36.948606
"1559092"	396.077406	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+K-2H"	36.948606
"945514"	404.126994	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-H+HCOOH"	44.998194
"366284"	763.255801	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+HCOOH-H"	44.998201
"349069"	777.271451	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+Hac-H"	59.013851
"1496808"	418.142651	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Hac-H"	59.013851
"972011"	426.108951	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-H+NaCOOH"	66.980151
"116551"	394.098202	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+2Cl"	69.938804
"555017"	573.662602	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+2Cl"	69.938804
"1033661"	214.533802	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2Cl"	69.938804
"1255793"	438.047685	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Br"	78.918885
"1316782"	440.103672	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Cl+HCOOH"	80.974872
"1331000"	462.085629	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Cl+NaCOOH"	102.956829
"923151"	472.114386	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M-H+CF3COOH"	112.985586
"1297670"	508.091064	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Cl+CF3COOH"	148.962264
"1376923"	324.116124	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H-2H2O"	-35.012676
"1393331"	342.1261	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H-H2O"	-17.0027
"284269"	719.264876	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+H"	1.007276
"681068"	1078.393676	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+H"	1.007276
"1353406"	360.136076	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H"	1.007276
"140727"	360.136076	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+2H"	2.014552
"580078"	539.700476	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+2H"	2.014552
"1051065"	180.571676	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2H"	2.014552
"219579"	240.426476	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+3H"	3.021828
"659856"	360.136076	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+3H"	3.021828
"1177745"	120.716876	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+3H"	3.021828
"438344"	736.291423	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+NH4"	18.033823
"801363"	1095.420223	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+NH4"	18.033823
"1696933"	377.162623	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+NH4"	18.033823
"341881"	368.6493495	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+H+NH4"	19.041099
"732115"	548.2137495	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+H+NH4"	19.041099
"1490311"	189.0849495	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H+NH4"	19.041099
"401337"	741.246818	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+Na"	22.989218
"762331"	1100.375618	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+Na"	22.989218
"1609336"	382.118018	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Na"	22.989218
"324838"	371.127047	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+H+Na"	23.996494
"717263"	550.691447	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+H+Na"	23.996494
"1469991"	191.562647	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H+Na"	23.996494
"1065423"	128.04419	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2H+Na"	25.00377
"1270021"	392.162286	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+CH3OH+H"	33.033486
"391513"	757.220758	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+K"	38.963158
"745580"	1116.349558	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+K"	38.963158
"1547635"	398.091958	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+K"	38.963158
"308089"	379.114017	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+H+K"	39.970434
"697232"	558.678417	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+H+K"	39.970434
"1449955"	199.549617	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H+K"	39.970434
"240745"	760.291426	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+ACN+H"	42.033826
"1212357"	401.162626	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+ACN+H"	42.033826
"1197338"	201.084951	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+ACN+2H"	43.041102
"203674"	763.22876	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+2Na-H"	44.97116
"643759"	1122.35756	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+2Na-H"	44.97116
"1145692"	404.09996	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2Na-H"	44.97116
"188130"	382.118018	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+2Na"	45.978436
"627078"	561.682418	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+2Na"	45.978436
"1129488"	202.553618	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2Na"	45.978436
"1411190"	135.371504	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H+2Na"	46.985712
"1439303"	406.141546	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H+HCOOH"	47.012746
"229727"	387.15104	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+3H2O+2H"	56.04448
"1520705"	420.19359	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+IsoProp+H"	61.06479
"419298"	390.104988	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+Na+K"	61.952376
"782480"	569.669388	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+Na+K"	61.952376
"1679540"	210.540588	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Na+K"	61.952376
"264966"	782.273368	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+ACN+Na"	64.015768
"1238769"	423.144568	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+ACN+Na"	64.015768
"1726559"	423.168093	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+NH4+HCOOH"	64.039293
"1190455"	142.698818	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+3Na"	68.967654
"1657793"	428.123488	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Na+HCOOH"	68.994688
"167209"	795.17664	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+2K-H"	76.91904
"608598"	1154.30544	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+2K-H"	76.91904
"1097485"	436.04784	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2K-H"	76.91904
"149927"	398.091958	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"2M+2K"	77.926316
"587301"	577.656358	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"3M+2K"	77.926316
"1074001"	218.527558	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2K"	77.926316
"1105023"	438.062392	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2K+H"	78.933592
"1338492"	438.150007	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+DMSO+H"	79.021207
"1011033"	442.189176	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2ACN+H"	83.060376
"1529158"	443.182808	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+IsoProp+Na+H"	84.054008
"995605"	221.598226	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+2ACN+2H"	84.067652
"1594482"	444.097428	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+K+HCOOH"	84.968628
"1426703"	474.128938	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+H+CF3COOH"	115.000138
"1158081"	242.111501	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+3ACN+2H"	125.094202
"1699978"	491.155485	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+NH4+CF3COOH"	132.026685
"1635629"	496.11088	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+Na+CF3COOH"	136.98208
"1573466"	512.08482	"C12717"	"Dimefline hydrochloride"	"C20H21NO3HCl"	"359.1288"	"M+K+CF3COOH"	152.95602
"802740"	384.2301	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M"	0
"986115"	365.21171	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-H2O-H"	-19.01839
"74357"	255.146124	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M-3H"	-3.021828
"516106"	383.222824	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M-3H"	-3.021828
"890627"	127.069424	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-3H"	-3.021828
"8108"	383.222824	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M-2H"	-2.014552
"443294"	575.337874	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M-2H"	-2.014552
"818908"	191.107774	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-2H"	-2.014552
"93130"	767.452924	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M-H"	-1.007276
"532690"	1151.683024	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M-H"	-1.007276
"907211"	383.222824	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-H"	-1.007276
"62194"	784.479471	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M-2H+NH4"	16.019271
"501876"	1168.709571	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M-2H+NH4"	16.019271
"877853"	400.249371	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-2H+NH4"	16.019271
"45389"	789.434866	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M-2H+Na"	20.974666
"485313"	1173.664966	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M-2H+Na"	20.974666
"861296"	405.204766	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-2H+Na"	20.974666
"1631193"	405.204766	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Na-2H"	20.974666
"108084"	401.211163	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M-H+Cl"	33.962126
"545456"	593.326213	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M-H+Cl"	33.962126
"940429"	209.096113	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-H+Cl"	33.962126
"282635"	803.429602	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+Cl"	34.969402
"672133"	1187.659702	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+Cl"	34.969402
"1280164"	419.199502	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Cl"	34.969402
"18344"	805.408806	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M-2H+K"	36.948606
"458630"	1189.638906	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M-2H+K"	36.948606
"842275"	421.178706	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-2H+K"	36.948606
"1569043"	421.178706	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+K-2H"	36.948606
"945625"	429.228294	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-H+HCOOH"	44.998194
"364569"	813.458401	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+HCOOH-H"	44.998201
"346503"	827.474051	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+Hac-H"	59.013851
"1495824"	443.243951	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Hac-H"	59.013851
"960092"	451.210251	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-H+NaCOOH"	66.980151
"117754"	419.199502	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+2Cl"	69.938804
"557314"	611.314552	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+2Cl"	69.938804
"1033771"	227.084452	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2Cl"	69.938804
"1256146"	463.148985	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Br"	78.918885
"1315798"	465.204972	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Cl+HCOOH"	80.974872
"1332203"	487.186929	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Cl+NaCOOH"	102.956829
"925453"	497.215686	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M-H+CF3COOH"	112.985586
"1301061"	533.192364	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Cl+CF3COOH"	148.962264
"1379220"	349.217424	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H-2H2O"	-35.012676
"1392348"	367.2274	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H-H2O"	-17.0027
"287659"	769.467476	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+H"	1.007276
"676433"	1153.697576	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+H"	1.007276
"1353516"	385.237376	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H"	1.007276
"136978"	385.237376	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+2H"	2.014552
"579096"	577.352426	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+2H"	2.014552
"1050813"	193.122326	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2H"	2.014552
"218717"	257.160676	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+3H"	3.021828
"659691"	385.237376	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+3H"	3.021828
"1175304"	129.083976	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+3H"	3.021828
"437846"	786.494023	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+NH4"	18.033823
"799571"	1170.724123	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+NH4"	18.033823
"1696796"	402.263923	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+NH4"	18.033823
"344787"	393.7506495	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+H+NH4"	19.041099
"732226"	585.8656995	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+H+NH4"	19.041099
"1489693"	201.6355995	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H+NH4"	19.041099
"407281"	791.449418	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+Na"	22.989218
"765723"	1175.679518	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+Na"	22.989218
"1616374"	407.219318	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Na"	22.989218
"326045"	396.228347	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+H+Na"	23.996494
"717373"	588.343397	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+H+Na"	23.996494
"1470101"	204.113297	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H+Na"	23.996494
"1064440"	136.41129	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2H+Na"	25.00377
"1270495"	417.263586	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+CH3OH+H"	33.033486
"392596"	807.423358	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+K"	38.963158
"744597"	1191.653458	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+K"	38.963158
"1549931"	423.193258	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+K"	38.963158
"308200"	404.215317	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+H+K"	39.970434
"698435"	596.330367	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+H+K"	39.970434
"1451159"	212.100267	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H+K"	39.970434
"237939"	810.494026	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+ACN+H"	42.033826
"1211374"	426.263926	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+ACN+H"	42.033826
"1199636"	213.635601	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+ACN+2H"	43.041102
"204035"	813.43136	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+2Na-H"	44.97116
"644191"	1197.66146	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+2Na-H"	44.97116
"1145925"	429.20126	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2Na-H"	44.97116
"187512"	407.219318	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+2Na"	45.978436
"627190"	599.334368	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+2Na"	45.978436
"1129601"	215.104268	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2Na"	45.978436
"1412759"	143.738604	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H+2Na"	46.985712
"1444507"	431.242846	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H+HCOOH"	47.012746
"230565"	412.25234	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+3H2O+2H"	56.04448
"1519356"	445.29489	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+IsoProp+H"	61.06479
"419409"	415.206288	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+Na+K"	61.952376
"783320"	607.321338	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+Na+K"	61.952376
"1678188"	223.091238	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Na+K"	61.952376
"263980"	832.475968	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+ACN+Na"	64.015768
"1235960"	448.245868	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+ACN+Na"	64.015768
"1724480"	448.269393	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+NH4+HCOOH"	64.039293
"1182543"	151.065918	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+3Na"	68.967654
"1652066"	453.224788	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Na+HCOOH"	68.994688
"165861"	845.37924	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+2K-H"	76.91904
"608708"	1229.60934	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+2K-H"	76.91904
"1096502"	461.14914	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2K-H"	76.91904
"148944"	423.193258	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"2M+2K"	77.926316
"588505"	615.308308	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"3M+2K"	77.926316
"1075204"	231.078208	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2K"	77.926316
"1103675"	463.163692	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2K+H"	78.933592
"1348078"	463.251307	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+DMSO+H"	79.021207
"1014424"	467.290476	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2ACN+H"	83.060376
"1530361"	468.284108	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+IsoProp+Na+H"	84.054008
"997903"	234.148876	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+2ACN+2H"	84.067652
"1595686"	469.198728	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+K+HCOOH"	84.968628
"1427906"	499.230238	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+H+CF3COOH"	115.000138
"1159284"	254.662151	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+3ACN+2H"	125.094202
"1700088"	516.256785	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+NH4+CF3COOH"	132.026685
"1637926"	521.21218	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+Na+CF3COOH"	136.98208
"1573576"	537.18612	"C12724"	"Ethynodiol diacetate"	"C24H32O4"	"384.2301"	"M+K+CF3COOH"	152.95602
"806130"	404.1754	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M"	0
"988412"	385.15701	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-H2O-H"	-19.01839
"75561"	268.442990666667	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M-3H"	-3.021828
"516216"	403.168124	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M-3H"	-3.021828
"890737"	133.717857333333	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-3H"	-3.021828
"8218"	403.168124	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M-2H"	-2.014552
"443404"	605.255824	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M-2H"	-2.014552
"817925"	201.080424	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-2H"	-2.014552
"91420"	807.343524	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M-H"	-1.007276
"531710"	1211.518924	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M-H"	-1.007276
"908414"	403.168124	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-H"	-1.007276
"60602"	824.370071	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M-2H+NH4"	16.019271
"501745"	1228.545471	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M-2H+NH4"	16.019271
"878452"	420.194671	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-2H+NH4"	16.019271
"45870"	829.325466	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M-2H+Na"	20.974666
"485795"	1233.500866	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M-2H+Na"	20.974666
"863476"	425.150066	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-2H+Na"	20.974666
"1632522"	425.150066	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Na-2H"	20.974666
"107830"	421.156463	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M-H+Cl"	33.962126
"545566"	623.244163	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M-H+Cl"	33.962126
"935800"	219.068763	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-H+Cl"	33.962126
"278730"	843.320202	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+Cl"	34.969402
"670056"	1247.495602	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+Cl"	34.969402
"1279181"	439.144802	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Cl"	34.969402
"19548"	845.299406	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M-2H+K"	36.948606
"459107"	1249.474806	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M-2H+K"	36.948606
"845665"	441.124006	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-2H+K"	36.948606
"1567696"	441.124006	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+K-2H"	36.948606
"945007"	449.173594	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-H+HCOOH"	44.998194
"363586"	853.349001	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+HCOOH-H"	44.998201
"346009"	867.364651	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+Hac-H"	59.013851
"1493748"	463.189251	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Hac-H"	59.013851
"960566"	471.155551	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-H+NaCOOH"	66.980151
"124549"	439.144802	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+2Cl"	69.938804
"561797"	641.232502	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+2Cl"	69.938804
"1034976"	237.057102	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2Cl"	69.938804
"1256379"	483.094285	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Br"	78.918885
"1318095"	485.150272	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Cl+HCOOH"	80.974872
"1332312"	507.132229	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Cl+NaCOOH"	102.956829
"921182"	517.160986	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M-H+CF3COOH"	112.985586
"1300077"	553.137664	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Cl+CF3COOH"	148.962264
"1376051"	369.162724	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H-2H2O"	-35.012676
"1396468"	387.1727	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H-H2O"	-17.0027
"287769"	809.358076	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+H"	1.007276
"677271"	1213.533476	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+H"	1.007276
"1355449"	405.182676	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H"	1.007276
"136724"	405.182676	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+2H"	2.014552
"579206"	607.270376	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+2H"	2.014552
"1049465"	203.094976	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2H"	2.014552
"217732"	270.457542666667	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+3H"	3.021828
"657654"	405.182676	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+3H"	3.021828
"1175049"	135.732409333333	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+3H"	3.021828
"437835"	826.384623	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+NH4"	18.033823
"799560"	1230.560023	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+NH4"	18.033823
"1696505"	422.209223	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+NH4"	18.033823
"344290"	413.6959495	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+H+NH4"	19.041099
"732336"	615.7836495	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+H+NH4"	19.041099
"1488344"	211.6082495	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H+NH4"	19.041099
"399369"	831.340018	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+Na"	22.989218
"761456"	1235.515418	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+Na"	22.989218
"1611745"	427.164618	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Na"	22.989218
"323968"	416.173647	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+H+Na"	23.996494
"716389"	618.261347	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+H+Na"	23.996494
"1469117"	214.085947	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H+Na"	23.996494
"1063092"	143.059723333333	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2H+Na"	25.00377
"1267321"	437.208886	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+CH3OH+H"	33.033486
"392801"	847.313958	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+K"	38.963158
"749809"	1251.489358	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+K"	38.963158
"1551863"	443.138558	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+K"	38.963158
"310497"	424.160617	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+H+K"	39.970434
"701825"	626.248317	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+H+K"	39.970434
"1452364"	222.072917	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H+K"	39.970434
"239871"	850.384626	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+ACN+H"	42.033826
"1211849"	446.209226	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+ACN+H"	42.033826
"1199746"	223.608251	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+ACN+2H"	43.041102
"203770"	853.32196	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+2Na-H"	44.97116
"644180"	1257.49736	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+2Na-H"	44.97116
"1146149"	449.14656	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2Na-H"	44.97116
"186519"	427.164618	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+2Na"	45.978436
"626570"	629.252318	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+2Na"	45.978436
"1127881"	225.076918	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2Na"	45.978436
"1412502"	150.387037333333	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H+2Na"	46.985712
"1441700"	451.188146	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H+HCOOH"	47.012746
"232857"	432.19764	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+3H2O+2H"	56.04448
"1520920"	465.24019	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+IsoProp+H"	61.06479
"420977"	435.151588	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+Na+K"	61.952376
"779779"	637.239288	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+Na+K"	61.952376
"1673557"	233.063888	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Na+K"	61.952376
"255702"	872.366568	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+ACN+Na"	64.015768
"1236432"	468.191168	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+ACN+Na"	64.015768
"1715107"	468.214693	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+NH4+HCOOH"	64.039293
"1180827"	157.714351333333	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+3Na"	68.967654
"1650434"	473.170088	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Na+HCOOH"	68.994688
"165971"	885.26984	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+2K-H"	76.91904
"611370"	1289.44524	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+2K-H"	76.91904
"1096612"	481.09444	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2K-H"	76.91904
"149055"	443.138558	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"2M+2K"	77.926316
"588615"	645.226258	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"3M+2K"	77.926316
"1081875"	241.050858	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2K"	77.926316
"1105244"	483.108992	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2K+H"	78.933592
"1343815"	483.196607	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+DMSO+H"	79.021207
"1017812"	487.235776	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2ACN+H"	83.060376
"1534846"	488.229408	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+IsoProp+Na+H"	84.054008
"1000199"	244.121526	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+2ACN+2H"	84.067652
"1599077"	489.144028	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+K+HCOOH"	84.968628
"1428744"	519.175538	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+H+CF3COOH"	115.000138
"1159395"	264.634801	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+3ACN+2H"	125.094202
"1700198"	536.202085	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+NH4+CF3COOH"	132.026685
"1638036"	541.15748	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+Na+CF3COOH"	136.98208
"1573686"	557.13142	"C12729"	"Chlormadinone acetate"	"C23H29ClO4"	"404.1754"	"M+K+CF3COOH"	152.95602
"803324"	246.0652	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M"	0
"988521"	227.04681	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-H2O-H"	-19.01839
"74577"	163.036190666667	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M-3H"	-3.021828
"518339"	245.057924	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M-3H"	-3.021828
"890847"	81.0144573333333	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-3H"	-3.021828
"8328"	245.057924	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M-2H"	-2.014552
"443514"	368.090524	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M-2H"	-2.014552
"820222"	122.025324	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-2H"	-2.014552
"92260"	491.123124	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M-H"	-1.007276
"533279"	737.188324	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M-H"	-1.007276
"908891"	245.057924	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-H"	-1.007276
"60348"	508.149671	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M-2H+NH4"	16.019271
"501369"	754.214871	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M-2H+NH4"	16.019271
"877955"	262.084471	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-2H+NH4"	16.019271
"46756"	513.105066	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M-2H+Na"	20.974666
"486392"	759.170266	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M-2H+Na"	20.974666
"862736"	267.039866	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-2H+Na"	20.974666
"1632632"	267.039866	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Na-2H"	20.974666
"107212"	263.046263	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M-H+Cl"	33.962126
"545676"	386.078863	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M-H+Cl"	33.962126
"938097"	140.013663	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-H+Cl"	33.962126
"276652"	527.099802	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+Cl"	34.969402
"670166"	773.165002	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+Cl"	34.969402
"1276011"	281.034602	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Cl"	34.969402
"18199"	529.079006	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M-2H+K"	36.948606
"458123"	775.144206	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M-2H+K"	36.948606
"837027"	283.013806	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-2H+K"	36.948606
"1559422"	283.013806	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+K-2H"	36.948606
"946572"	291.063394	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-H+HCOOH"	44.998194
"364788"	537.128601	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+HCOOH-H"	44.998201
"348305"	551.144251	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+Hac-H"	59.013851
"1496044"	305.079051	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Hac-H"	59.013851
"959583"	313.045351	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-H+NaCOOH"	66.980151
"123808"	281.034602	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+2Cl"	69.938804
"558626"	404.067202	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+2Cl"	69.938804
"1035933"	158.002002	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2Cl"	69.938804
"1248098"	324.984085	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Br"	78.918885
"1314920"	327.040072	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Cl+HCOOH"	80.974872
"1332423"	349.022029	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Cl+NaCOOH"	102.956829
"923478"	359.050786	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M-H+CF3COOH"	112.985586
"1299094"	395.027464	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Cl+CF3COOH"	148.962264
"1375067"	211.052524	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H-2H2O"	-35.012676
"1396578"	229.0625	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H-H2O"	-17.0027
"288972"	493.137676	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+H"	1.007276
"679204"	739.202876	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+H"	1.007276
"1357746"	247.072476	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H"	1.007276
"136105"	247.072476	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+2H"	2.014552
"578952"	370.105076	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+2H"	2.014552
"1051281"	124.039876	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2H"	2.014552
"218207"	165.050742666667	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+3H"	3.021828
"657401"	247.072476	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+3H"	3.021828
"1177104"	83.0290093333333	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+3H"	3.021828
"437706"	510.164223	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+NH4"	18.033823
"799552"	756.229423	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+NH4"	18.033823
"1694912"	264.099023	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+NH4"	18.033823
"343554"	255.5857495	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+H+NH4"	19.041099
"735363"	378.6183495	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+H+NH4"	19.041099
"1489546"	132.5531495	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H+NH4"	19.041099
"399479"	515.119618	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+Na"	22.989218
"760473"	761.184818	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+Na"	22.989218
"1611854"	269.054418	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Na"	22.989218
"325171"	258.063447	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+H+Na"	23.996494
"719416"	381.096047	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+H+Na"	23.996494
"1473235"	135.030847	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H+Na"	23.996494
"1065388"	90.3563233333333	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2H+Na"	25.00377
"1266337"	279.098686	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+CH3OH+H"	33.033486
"391479"	531.093558	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+K"	38.963158
"750648"	777.158758	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+K"	38.963158
"1553067"	285.028358	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+K"	38.963158
"312065"	266.050417	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+H+K"	39.970434
"701935"	389.083017	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+H+K"	39.970434
"1451380"	143.017817	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H+K"	39.970434
"238522"	534.164226	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+ACN+H"	42.033826
"1212691"	288.099026	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+ACN+H"	42.033826
"1200949"	144.553151	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+ACN+2H"	43.041102
"201117"	537.10156	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+2Na-H"	44.97116
"643116"	783.16676	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+2Na-H"	44.97116
"1146259"	291.03636	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2Na-H"	44.97116
"187118"	269.054418	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+2Na"	45.978436
"626315"	392.087018	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+2Na"	45.978436
"1128355"	146.021818	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2Na"	45.978436
"1411516"	97.6836373333333	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H+2Na"	46.985712
"1443269"	293.077946	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H+HCOOH"	47.012746
"233697"	274.08744	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+3H2O+2H"	56.04448
"1521027"	307.12999	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+IsoProp+H"	61.06479
"420350"	277.041388	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+Na+K"	61.952376
"782074"	400.073988	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+Na+K"	61.952376
"1675855"	154.008788	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Na+K"	61.952376
"255813"	556.146168	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+ACN+Na"	64.015768
"1235084"	310.080968	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+ACN+Na"	64.015768
"1715217"	310.104493	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+NH4+HCOOH"	64.039293
"1179843"	105.010951333333	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+3Na"	68.967654
"1652290"	315.059888	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Na+HCOOH"	68.994688
"164988"	569.04944	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+2K-H"	76.91904
"611970"	815.11464	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+2K-H"	76.91904
"1098182"	322.98424	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2K-H"	76.91904
"153538"	285.028358	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"2M+2K"	77.926316
"594193"	408.060958	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"3M+2K"	77.926316
"1083569"	161.995758	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2K"	77.926316
"1114590"	324.998792	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2K+H"	78.933592
"1347205"	325.086407	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+DMSO+H"	79.021207
"1020110"	329.125576	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2ACN+H"	83.060376
"1539211"	330.119208	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+IsoProp+Na+H"	84.054008
"1003590"	165.066426	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+2ACN+2H"	84.067652
"1600281"	331.033828	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+K+HCOOH"	84.968628
"1428976"	361.065338	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+H+CF3COOH"	115.000138
"1156224"	185.579701	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+3ACN+2H"	125.094202
"1700308"	378.091885	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+NH4+CF3COOH"	132.026685
"1638146"	383.04728	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+Na+CF3COOH"	136.98208
"1572703"	399.02122	"C12739"	"5-Deoxy-5-fluorouridine;Doxifluridine"	"C9H11FN2O5"	"246.0652"	"M+K+CF3COOH"	152.95602
"803070"	702.2982	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M"	0
"987174"	683.27981	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-H2O-H"	-19.01839
"74687"	467.191524	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M-3H"	-3.021828
"515343"	701.290924	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M-3H"	-3.021828
"890957"	233.092124	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-3H"	-3.021828
"11718"	701.290924	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M-2H"	-2.014552
"443624"	1052.440024	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M-2H"	-2.014552
"828718"	350.141824	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-2H"	-2.014552
"92739"	1403.589124	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M-H"	-1.007276
"532660"	2105.887324	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M-H"	-1.007276
"908635"	701.290924	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-H"	-1.007276
"61553"	1420.615671	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M-2H+NH4"	16.019271
"502174"	2122.913871	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M-2H+NH4"	16.019271
"878922"	718.317471	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-2H+NH4"	16.019271
"46098"	1425.571066	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M-2H+Na"	20.974666
"486344"	2127.869266	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M-2H+Na"	20.974666
"862357"	723.272866	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-2H+Na"	20.974666
"1631524"	723.272866	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Na-2H"	20.974666
"108293"	719.279263	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M-H+Cl"	33.962126
"547974"	1070.428363	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M-H+Cl"	33.962126
"937114"	368.130163	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-H+Cl"	33.962126
"273481"	1439.565802	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+Cl"	34.969402
"668089"	2141.864002	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+Cl"	34.969402
"1275391"	737.267602	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Cl"	34.969402
"17580"	1441.545006	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M-2H+K"	36.948606
"457990"	2143.843206	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M-2H+K"	36.948606
"836044"	739.246806	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-2H+K"	36.948606
"1559532"	739.246806	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+K-2H"	36.948606
"944499"	747.296394	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-H+HCOOH"	44.998194
"363808"	1449.594601	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+HCOOH-H"	44.998201
"347324"	1463.610251	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+Hac-H"	59.013851
"1495063"	761.312051	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Hac-H"	59.013851
"959814"	769.278351	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-H+NaCOOH"	66.980151
"122458"	737.267602	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+2Cl"	69.938804
"562017"	1088.416702	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+2Cl"	69.938804
"1035922"	386.118502	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2Cl"	69.938804
"1251488"	781.217085	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Br"	78.918885
"1315030"	783.273072	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Cl+HCOOH"	80.974872
"1333992"	805.255029	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Cl+NaCOOH"	102.956829
"921402"	815.283786	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M-H+CF3COOH"	112.985586
"1303823"	851.260464	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Cl+CF3COOH"	148.962264
"1374084"	667.285524	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H-2H2O"	-35.012676
"1396324"	685.2955	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H-H2O"	-17.0027
"291270"	1405.603676	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+H"	1.007276
"680410"	2107.901876	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+H"	1.007276
"1354576"	703.305476	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H"	1.007276
"136213"	703.305476	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+2H"	2.014552
"573586"	1054.454576	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+2H"	2.014552
"1051757"	352.156376	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2H"	2.014552
"217588"	469.206076	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+3H"	3.021828
"658124"	703.305476	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+3H"	3.021828
"1177461"	235.106676	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+3H"	3.021828
"439157"	1422.630223	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+NH4"	18.033823
"800151"	2124.928423	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+NH4"	18.033823
"1695507"	720.332023	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+NH4"	18.033823
"344518"	711.8187495	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+H+NH4"	19.041099
"736573"	1062.9678495	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+H+NH4"	19.041099
"1491121"	360.6696495	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H+NH4"	19.041099
"399591"	1427.585618	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+Na"	22.989218
"764960"	2129.883818	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+Na"	22.989218
"1614152"	725.287418	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Na"	22.989218
"325282"	714.296447	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+H+Na"	23.996494
"720256"	1065.445547	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+H+Na"	23.996494
"1472616"	363.147347	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H+Na"	23.996494
"1064769"	242.43399	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2H+Na"	25.00377
"1268999"	735.331686	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+CH3OH+H"	33.033486
"390131"	1443.559558	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+K"	38.963158
"751123"	2145.857758	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+K"	38.963158
"1554521"	741.261358	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+K"	38.963158
"313633"	722.283417	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+H+K"	39.970434
"703138"	1073.432517	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+H+K"	39.970434
"1454771"	371.134317	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H+K"	39.970434
"240091"	1446.630226	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+ACN+H"	42.033826
"1212799"	744.332026	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+ACN+H"	42.033826
"1199966"	372.669651	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+ACN+2H"	43.041102
"201594"	1449.56756	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+2Na-H"	44.97116
"643109"	2151.86576	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+2Na-H"	44.97116
"1144671"	747.26936	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2Na-H"	44.97116
"186502"	725.287418	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+2Na"	45.978436
"626425"	1076.436518	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+2Na"	45.978436
"1129807"	374.138318	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2Na"	45.978436
"1412356"	249.761304	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H+2Na"	46.985712
"1443014"	749.310946	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H+HCOOH"	47.012746
"232718"	730.32044	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+3H2O+2H"	56.04448
"1521137"	763.36299	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+IsoProp+H"	61.06479
"419731"	733.274388	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+Na+K"	61.952376
"778538"	1084.423488	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+Na+K"	61.952376
"1678154"	382.125288	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Na+K"	61.952376
"258110"	1468.612168	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+ACN+Na"	64.015768
"1235925"	766.313968	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+ACN+Na"	64.015768
"1718612"	766.337493	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+NH4+HCOOH"	64.039293
"1181779"	257.088618	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+3Na"	68.967654
"1652766"	771.292888	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Na+HCOOH"	68.994688
"166191"	1481.51544	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+2K-H"	76.91904
"612447"	2183.81364	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+2K-H"	76.91904
"1095739"	779.21724	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2K-H"	76.91904
"155718"	741.261358	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"2M+2K"	77.926316
"595397"	1092.410458	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"3M+2K"	77.926316
"1083559"	390.112258	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2K"	77.926316
"1114700"	781.231792	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2K+H"	78.933592
"1350965"	781.319407	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+DMSO+H"	79.021207
"1021073"	785.358576	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2ACN+H"	83.060376
"1538712"	786.352208	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+IsoProp+Na+H"	84.054008
"1004432"	393.182926	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+2ACN+2H"	84.067652
"1601120"	787.266828	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+K+HCOOH"	84.968628
"1428235"	817.298338	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+H+CF3COOH"	115.000138
"1157428"	413.696201	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+3ACN+2H"	125.094202
"1698231"	834.324885	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+NH4+CF3COOH"	132.026685
"1634976"	839.28028	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+Na+CF3COOH"	136.98208
"1572813"	855.25422	"C12750"	"Bisibuthiamine;Sulbutiamine"	"C32H46N8O6S2"	"702.2982"	"M+K+CF3COOH"	152.95602
"806460"	813.4511	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M"	0
"986555"	794.43271	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-H2O-H"	-19.01839
"77997"	541.293457333333	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M-3H"	-3.021828
"513266"	812.443824	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M-3H"	-3.021828
"891067"	270.143090666667	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-3H"	-3.021828
"11828"	812.443824	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M-2H"	-2.014552
"444827"	1219.169374	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M-2H"	-2.014552
"830285"	405.718274	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-2H"	-2.014552
"93210"	1625.894924	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M-H"	-1.007276
"533255"	2439.346024	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M-H"	-1.007276
"910941"	812.443824	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-H"	-1.007276
"62721"	1642.921471	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M-2H+NH4"	16.019271
"502325"	2456.372571	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M-2H+NH4"	16.019271
"879678"	829.470371	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-2H+NH4"	16.019271
"46902"	1647.876866	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M-2H+Na"	20.974666
"486497"	2461.327966	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M-2H+Na"	20.974666
"863971"	834.425766	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-2H+Na"	20.974666
"1633460"	834.425766	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Na-2H"	20.974666
"109501"	830.432163	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M-H+Cl"	33.962126
"548084"	1237.157713	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M-H+Cl"	33.962126
"936130"	423.706613	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-H+Cl"	33.962126
"273591"	1661.871602	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+Cl"	34.969402
"668199"	2475.322702	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+Cl"	34.969402
"1275138"	848.420502	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Cl"	34.969402
"18175"	1663.850806	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M-2H+K"	36.948606
"458708"	2477.301906	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M-2H+K"	36.948606
"845995"	850.399706	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-2H+K"	36.948606
"1559642"	850.399706	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+K-2H"	36.948606
"949713"	858.449294	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-H+HCOOH"	44.998194
"363918"	1671.900401	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+HCOOH-H"	44.998201
"347069"	1685.916051	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+Hac-H"	59.013851
"1494201"	872.464951	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Hac-H"	59.013851
"959802"	880.431251	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-H+NaCOOH"	66.980151
"125367"	848.420502	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+2Cl"	69.938804
"564804"	1255.146052	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+2Cl"	69.938804
"1036927"	441.694952	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2Cl"	69.938804
"1251598"	892.369985	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Br"	78.918885
"1315140"	894.425972	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Cl+HCOOH"	80.974872
"1334103"	916.407929	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Cl+NaCOOH"	102.956829
"922605"	926.436686	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M-H+CF3COOH"	112.985586
"1299313"	962.413364	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Cl+CF3COOH"	148.962264
"1379662"	778.438424	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H-2H2O"	-35.012676
"1393518"	796.4484	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H-H2O"	-17.0027
"289193"	1627.909476	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+H"	1.007276
"683800"	2441.360576	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+H"	1.007276
"1354320"	814.458376	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H"	1.007276
"135230"	814.458376	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+2H"	2.014552
"570416"	1221.183926	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+2H"	2.014552
"1043588"	407.732826	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2H"	2.014552
"218062"	543.308009333333	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+3H"	3.021828
"659206"	814.458376	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+3H"	3.021828
"1178016"	272.157642666667	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+3H"	3.021828
"439384"	1644.936023	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+NH4"	18.033823
"800016"	2458.387123	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+NH4"	18.033823
"1696941"	831.484923	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+NH4"	18.033823
"345435"	822.9716495	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+H+NH4"	19.041099
"737774"	1229.6971995	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+H+NH4"	19.041099
"1492475"	416.2460995	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H+NH4"	19.041099
"406627"	1649.891418	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+Na"	22.989218
"765070"	2463.342518	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+Na"	22.989218
"1612075"	836.440318	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Na"	22.989218
"325392"	825.449347	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+H+Na"	23.996494
"718907"	1232.174897	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+H+Na"	23.996494
"1473820"	418.723797	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H+Na"	23.996494
"1065974"	279.484956666667	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2H+Na"	25.00377
"1268383"	846.484586	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+CH3OH+H"	33.033486
"392675"	1665.865358	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+K"	38.963158
"751598"	2479.316458	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+K"	38.963158
"1555112"	852.414258	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+K"	38.963158
"313017"	833.436317	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+H+K"	39.970434
"704342"	1240.161867	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+H+K"	39.970434
"1453788"	426.710767	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H+K"	39.970434
"244575"	1668.936026	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+ACN+H"	42.033826
"1212544"	855.484926	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+ACN+H"	42.033826
"1201169"	428.246101	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+ACN+2H"	43.041102
"203284"	1671.87336	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+2Na-H"	44.97116
"643081"	2485.32446	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+2Na-H"	44.97116
"1143672"	858.42226	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2Na-H"	44.97116
"186245"	836.440318	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+2Na"	45.978436
"626778"	1243.165868	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+2Na"	45.978436
"1129672"	429.714768	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2Na"	45.978436
"1410278"	286.812270666667	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H+2Na"	46.985712
"1443489"	860.463846	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H+HCOOH"	47.012746
"233310"	841.47334	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+3H2O+2H"	56.04448
"1520154"	874.51589	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+IsoProp+H"	61.06479
"414371"	844.427288	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+Na+K"	61.952376
"776458"	1251.152838	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+Na+K"	61.952376
"1676074"	437.701738	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Na+K"	61.952376
"258220"	1690.917968	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+ACN+Na"	64.015768
"1232025"	877.466868	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+ACN+Na"	64.015768
"1715806"	877.490393	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+NH4+HCOOH"	64.039293
"1180793"	294.139584666667	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+3Na"	68.967654
"1652142"	882.445788	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Na+HCOOH"	68.994688
"166301"	1703.82124	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+2K-H"	76.91904
"611335"	2517.27234	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+2K-H"	76.91904
"1095849"	890.37014	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2K-H"	76.91904
"156071"	852.414258	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"2M+2K"	77.926316
"596116"	1259.139808	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"3M+2K"	77.926316
"1084186"	445.688708	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2K"	77.926316
"1114933"	892.384692	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2K+H"	78.933592
"1350100"	892.472307	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+DMSO+H"	79.021207
"1020208"	896.511476	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2ACN+H"	83.060376
"1538455"	897.505108	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+IsoProp+Na+H"	84.054008
"1004661"	448.759376	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+2ACN+2H"	84.067652
"1599404"	898.419728	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+K+HCOOH"	84.968628
"1427250"	928.451238	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+H+CF3COOH"	115.000138
"1153164"	469.272651	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+3ACN+2H"	125.094202
"1700527"	945.477785	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+NH4+CF3COOH"	132.026685
"1635086"	950.43318	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+Na+CF3COOH"	136.98208
"1571462"	966.40712	"C12753"	"Troleandomycin;Triacetyloleandomycin"	"C41H67NO15"	"813.4511"	"M+K+CF3COOH"	152.95602
"805476"	322.1504	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M"	0
"988851"	303.13201	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-H2O-H"	-19.01839
"77824"	213.759657333333	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M-3H"	-3.021828
"516656"	321.143124	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M-3H"	-3.021828
"891177"	106.376190666667	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-3H"	-3.021828
"8658"	321.143124	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M-2H"	-2.014552
"445301"	482.218324	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M-2H"	-2.014552
"830395"	160.067924	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-2H"	-2.014552
"93198"	643.293524	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M-H"	-1.007276
"532757"	965.443924	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M-H"	-1.007276
"908855"	321.143124	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-H"	-1.007276
"61529"	660.320071	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M-2H+NH4"	16.019271
"502389"	982.470471	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M-2H+NH4"	16.019271
"878768"	338.169671	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-2H+NH4"	16.019271
"47118"	665.275466	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M-2H+Na"	20.974666
"486931"	987.425866	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M-2H+Na"	20.974666
"863957"	343.125066	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-2H+Na"	20.974666
"1633892"	343.125066	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Na-2H"	20.974666
"106448"	339.131463	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M-H+Cl"	33.962126
"543819"	500.206663	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M-H+Cl"	33.962126
"938427"	178.056263	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-H+Cl"	33.962126
"272609"	679.270202	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+Cl"	34.969402
"672682"	1001.420602	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+Cl"	34.969402
"1277434"	357.119802	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Cl"	34.969402
"18162"	681.249406	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M-2H+K"	36.948606
"457480"	1003.399806	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M-2H+K"	36.948606
"843919"	359.099006	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-2H+K"	36.948606
"1560845"	359.099006	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+K-2H"	36.948606
"947635"	367.148594	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-H+HCOOH"	44.998194
"363661"	689.299001	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+HCOOH-H"	44.998201
"347909"	703.314651	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+Hac-H"	59.013851
"1496376"	381.164251	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Hac-H"	59.013851
"960033"	389.130551	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-H+NaCOOH"	66.980151
"123774"	357.119802	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+2Cl"	69.938804
"565603"	518.195002	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+2Cl"	69.938804
"1037043"	196.044602	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2Cl"	69.938804
"1251708"	401.069285	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Br"	78.918885
"1315250"	403.125272	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Cl+HCOOH"	80.974872
"1333846"	425.107229	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Cl+NaCOOH"	102.956829
"924537"	435.135986	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M-H+CF3COOH"	112.985586
"1301610"	471.112664	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Cl+CF3COOH"	148.962264
"1381958"	287.137724	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H-2H2O"	-35.012676
"1396178"	305.1477	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H-H2O"	-17.0027
"289303"	645.308076	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+H"	1.007276
"687190"	967.458476	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+H"	1.007276
"1358071"	323.157676	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H"	1.007276
"133153"	323.157676	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+2H"	2.014552
"571619"	484.232876	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+2H"	2.014552
"1042968"	162.082476	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2H"	2.014552
"217079"	215.774209333333	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+3H"	3.021828
"658830"	323.157676	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+3H"	3.021828
"1177315"	108.390742666667	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+3H"	3.021828
"439495"	662.334623	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+NH4"	18.033823
"800937"	984.485023	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+NH4"	18.033823
"1696453"	340.184223	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+NH4"	18.033823
"344736"	331.6709495	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+H+NH4"	19.041099
"738170"	492.7461495	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+H+NH4"	19.041099
"1492437"	170.5957495	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H+NH4"	19.041099
"404185"	667.290018	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+Na"	22.989218
"765180"	989.440418	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+Na"	22.989218
"1612184"	345.139618	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Na"	22.989218
"324409"	334.148647	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+H+Na"	23.996494
"719385"	495.223847	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+H+Na"	23.996494
"1474295"	173.073447	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H+Na"	23.996494
"1066084"	115.718056666667	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2H+Na"	25.00377
"1270682"	355.183886	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+CH3OH+H"	33.033486
"392299"	683.263958	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+K"	38.963158
"752071"	1005.414358	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+K"	38.963158
"1553029"	361.113558	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+K"	38.963158
"314061"	342.135617	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+H+K"	39.970434
"704451"	503.210817	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+H+K"	39.970434
"1456085"	181.060417	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H+K"	39.970434
"243592"	686.334626	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+ACN+H"	42.033826
"1212654"	364.184226	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+ACN+H"	42.033826
"1201279"	182.595751	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+ACN+2H"	43.041102
"204084"	689.27196	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+2Na-H"	44.97116
"643191"	1011.42236	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+2Na-H"	44.97116
"1146577"	367.12156	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2Na-H"	44.97116
"186720"	345.139618	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+2Na"	45.978436
"627254"	506.214818	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+2Na"	45.978436
"1130512"	184.064418	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2Na"	45.978436
"1413549"	123.045370666667	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H+2Na"	46.985712
"1443598"	369.163146	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H+HCOOH"	47.012746
"235366"	350.17264	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+3H2O+2H"	56.04448
"1522816"	383.21519	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+IsoProp+H"	61.06479
"419948"	353.126588	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+Na+K"	61.952376
"776568"	514.201788	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+Na+K"	61.952376
"1676184"	192.051388	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Na+K"	61.952376
"261611"	708.316568	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+ACN+Na"	64.015768
"1234321"	386.166168	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+ACN+Na"	64.015768
"1715916"	386.189693	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+NH4+HCOOH"	64.039293
"1181269"	130.372684666667	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+3Na"	68.967654
"1653346"	391.145088	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Na+HCOOH"	68.994688
"165316"	721.21984	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+2K-H"	76.91904
"612299"	1043.37024	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+2K-H"	76.91904
"1095959"	399.06944	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2K-H"	76.91904
"156425"	361.113558	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"2M+2K"	77.926316
"595742"	522.188758	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"3M+2K"	77.926316
"1084065"	200.038358	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2K"	77.926316
"1115507"	401.083992	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2K+H"	78.933592
"1350984"	401.171607	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+DMSO+H"	79.021207
"1019346"	405.210776	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2ACN+H"	83.060376
"1538811"	406.204408	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+IsoProp+Na+H"	84.054008
"1004408"	203.109026	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+2ACN+2H"	84.067652
"1601701"	407.119028	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+K+HCOOH"	84.968628
"1425172"	437.150538	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+H+CF3COOH"	115.000138
"1153273"	223.622301	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+3ACN+2H"	125.094202
"1699543"	454.177085	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+NH4+CF3COOH"	132.026685
"1636289"	459.13248	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+Na+CF3COOH"	136.98208
"1571694"	475.10642	"C12755"	"Mequitazine"	"C20H22N2S"	"322.1504"	"M+K+CF3COOH"	152.95602
"803400"	341.1409	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M"	0
"985681"	322.12251	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-H2O-H"	-19.01839
"72830"	226.419990666667	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M-3H"	-3.021828
"513486"	340.133624	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M-3H"	-3.021828
"890923"	112.706357333333	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-3H"	-3.021828
"8768"	340.133624	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M-2H"	-2.014552
"445047"	510.704074	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M-2H"	-2.014552
"830505"	169.563174	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-2H"	-2.014552
"92699"	681.274524	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M-H"	-1.007276
"532258"	1022.415424	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M-H"	-1.007276
"906779"	340.133624	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-H"	-1.007276
"61151"	698.301071	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M-2H+NH4"	16.019271
"502540"	1039.441971	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M-2H+NH4"	16.019271
"878148"	357.160171	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-2H+NH4"	16.019271
"46659"	703.256466	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M-2H+Na"	20.974666
"486964"	1044.397366	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M-2H+Na"	20.974666
"864137"	362.115566	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-2H+Na"	20.974666
"1632217"	362.115566	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Na-2H"	20.974666
"103278"	358.121963	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M-H+Cl"	33.962126
"543929"	528.692413	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M-H+Cl"	33.962126
"938537"	187.551513	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-H+Cl"	33.962126
"272719"	717.251202	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+Cl"	34.969402
"670605"	1058.392102	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+Cl"	34.969402
"1277544"	376.110302	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Cl"	34.969402
"17908"	719.230406	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M-2H+K"	36.948606
"457226"	1060.371306	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M-2H+K"	36.948606
"836374"	378.089506	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-2H+K"	36.948606
"1558767"	378.089506	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+K-2H"	36.948606
"947744"	386.139094	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-H+HCOOH"	44.998194
"364865"	727.280001	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+HCOOH-H"	44.998201
"347655"	741.295651	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+Hac-H"	59.013851
"1496486"	400.154751	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Hac-H"	59.013851
"959780"	408.121051	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-H+NaCOOH"	66.980151
"124248"	376.110302	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+2Cl"	69.938804
"565146"	546.680752	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+2Cl"	69.938804
"1036944"	205.539852	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2Cl"	69.938804
"1251818"	420.059785	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Br"	78.918885
"1312080"	422.115772	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Cl+HCOOH"	80.974872
"1334201"	444.097729	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Cl+NaCOOH"	102.956829
"921730"	454.126486	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M-H+CF3COOH"	112.985586
"1298440"	490.103164	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Cl+CF3COOH"	148.962264
"1378788"	306.128224	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H-2H2O"	-35.012676
"1395195"	324.1382	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H-H2O"	-17.0027
"289413"	683.289076	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+H"	1.007276
"686207"	1024.429976	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+H"	1.007276
"1358181"	342.148176	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H"	1.007276
"133263"	342.148176	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+2H"	2.014552
"571729"	512.718626	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+2H"	2.014552
"1042714"	171.577726	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2H"	2.014552
"219377"	228.434542666667	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+3H"	3.021828
"659587"	342.148176	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+3H"	3.021828
"1177426"	114.720909333333	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+3H"	3.021828
"438511"	700.315623	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+NH4"	18.033823
"800723"	1041.456523	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+NH4"	18.033823
"1695835"	359.174723	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+NH4"	18.033823
"344968"	350.6614495	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+H+NH4"	19.041099
"737954"	521.2318995	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+H+NH4"	19.041099
"1492263"	180.0909995	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H+NH4"	19.041099
"404295"	705.271018	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+Na"	22.989218
"765290"	1046.411918	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+Na"	22.989218
"1611201"	364.130118	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Na"	22.989218
"324519"	353.139147	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+H+Na"	23.996494
"720588"	523.709597	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+H+Na"	23.996494
"1471855"	182.568697	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H+Na"	23.996494
"1065102"	122.048223333333	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2H+Na"	25.00377
"1270427"	374.174386	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+CH3OH+H"	33.033486
"391555"	721.244958	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+K"	38.963158
"751817"	1062.385858	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+K"	38.963158
"1553139"	380.104058	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+K"	38.963158
"313481"	361.126117	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+H+K"	39.970434
"705291"	531.696567	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+H+K"	39.970434
"1455102"	190.555667	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H+K"	39.970434
"242609"	724.315626	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+ACN+H"	42.033826
"1212400"	383.174726	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+ACN+H"	42.033826
"1200296"	192.091001	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+ACN+2H"	43.041102
"203990"	727.25296	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+2Na-H"	44.97116
"644196"	1068.39386	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+2Na-H"	44.97116
"1146202"	386.11206	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2Na-H"	44.97116
"187193"	364.130118	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+2Na"	45.978436
"626391"	534.700568	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+2Na"	45.978436
"1130621"	193.559668	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2Na"	45.978436
"1413783"	129.375537333333	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H+2Na"	46.985712
"1445291"	388.153646	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H+HCOOH"	47.012746
"234136"	369.16314	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+3H2O+2H"	56.04448
"1522926"	402.20569	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+IsoProp+H"	61.06479
"420058"	372.117088	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+Na+K"	61.952376
"782145"	542.687538	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+Na+K"	61.952376
"1676294"	201.546638	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Na+K"	61.952376
"259533"	746.297568	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+ACN+Na"	64.015768
"1233335"	405.156668	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+ACN+Na"	64.015768
"1713839"	405.180193	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+NH4+HCOOH"	64.039293
"1179922"	136.702851333333	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+3Na"	68.967654
"1651751"	410.135588	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Na+HCOOH"	68.994688
"165426"	759.20084	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+2K-H"	76.91904
"612408"	1100.34174	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+2K-H"	76.91904
"1097162"	418.05994	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2K-H"	76.91904
"156534"	380.104058	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"2M+2K"	77.926316
"596336"	550.674508	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"3M+2K"	77.926316
"1083847"	209.533608	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2K"	77.926316
"1115318"	420.074492	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2K+H"	78.933592
"1348739"	420.162107	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+DMSO+H"	79.021207
"1020065"	424.201276	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2ACN+H"	83.060376
"1539163"	425.194908	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+IsoProp+Na+H"	84.054008
"1004639"	212.604276	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+2ACN+2H"	84.067652
"1599623"	426.109528	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+K+HCOOH"	84.968628
"1422002"	456.141038	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+H+CF3COOH"	115.000138
"1153383"	233.117551	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+3ACN+2H"	125.094202
"1699653"	473.167585	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+NH4+CF3COOH"	132.026685
"1636399"	478.12298	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+Na+CF3COOH"	136.98208
"1571561"	494.09692	"C12766"	"Cyclacillin;Ciclacillin"	"C15H23N3O4S"	"341.1409"	"M+K+CF3COOH"	152.95602
"803510"	314.0911	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M"	0
"986884"	295.07271	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-H2O-H"	-19.01839
"72940"	208.386790666667	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M-3H"	-3.021828
"513596"	313.083824	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M-3H"	-3.021828
"891397"	103.689757333333	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-3H"	-3.021828
"8878"	313.083824	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M-2H"	-2.014552
"446251"	470.129374	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M-2H"	-2.014552
"830615"	156.038274	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-2H"	-2.014552
"90621"	627.174924	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M-H"	-1.007276
"530181"	941.266024	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M-H"	-1.007276
"905794"	313.083824	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-H"	-1.007276
"60169"	644.201471	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M-2H+NH4"	16.019271
"502042"	958.292571	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M-2H+NH4"	16.019271
"879234"	330.110371	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-2H+NH4"	16.019271
"45794"	649.156866	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M-2H+Na"	20.974666
"486208"	963.247966	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M-2H+Na"	20.974666
"863401"	335.065766	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-2H+Na"	20.974666
"1627954"	335.065766	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Na-2H"	20.974666
"103389"	331.072163	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M-H+Cl"	33.962126
"546228"	488.117713	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M-H+Cl"	33.962126
"936463"	174.026613	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-H+Cl"	33.962126
"272832"	663.151602	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+Cl"	34.969402
"663065"	977.242702	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+Cl"	34.969402
"1278750"	349.060502	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Cl"	34.969402
"18748"	665.130806	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M-2H+K"	36.948606
"460134"	979.221906	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M-2H+K"	36.948606
"841953"	351.039706	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-2H+K"	36.948606
"1563253"	351.039706	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+K-2H"	36.948606
"947855"	359.089294	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-H+HCOOH"	44.998194
"363884"	673.180401	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+HCOOH-H"	44.998201
"346794"	687.196051	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+Hac-H"	59.013851
"1495140"	373.104951	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Hac-H"	59.013851
"959769"	381.071251	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-H+NaCOOH"	66.980151
"123992"	349.060502	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+2Cl"	69.938804
"559177"	506.106052	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+2Cl"	69.938804
"1027976"	192.014952	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2Cl"	69.938804
"1246461"	393.009985	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Br"	78.918885
"1308910"	395.065972	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Cl+HCOOH"	80.974872
"1332974"	417.047929	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Cl+NaCOOH"	102.956829
"925734"	427.076686	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M-H+CF3COOH"	112.985586
"1302563"	463.053364	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Cl+CF3COOH"	148.962264
"1381457"	279.078424	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H-2H2O"	-35.012676
"1395305"	297.0884	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H-H2O"	-17.0027
"289523"	629.189476	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+H"	1.007276
"686317"	943.280576	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+H"	1.007276
"1359386"	315.098376	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H"	1.007276
"133373"	315.098376	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+2H"	2.014552
"572932"	472.143926	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+2H"	2.014552
"1042824"	158.052826	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2H"	2.014552
"210728"	210.401342666667	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+3H"	3.021828
"658682"	315.098376	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+3H"	3.021828
"1175344"	105.704309333333	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+3H"	3.021828
"436794"	646.216023	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+NH4"	18.033823
"797792"	960.307123	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+NH4"	18.033823
"1695580"	332.124923	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+NH4"	18.033823
"340943"	323.6116495	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+H+NH4"	19.041099
"737739"	480.6571995	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+H+NH4"	19.041099
"1489006"	166.5660995	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H+NH4"	19.041099
"401123"	651.171418	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+Na"	22.989218
"764305"	965.262518	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+Na"	22.989218
"1613496"	337.080318	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Na"	22.989218
"325358"	326.089347	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+H+Na"	23.996494
"718145"	483.134897	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+H+Na"	23.996494
"1470871"	169.043797	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H+Na"	23.996494
"1063388"	113.031623333333	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2H+Na"	25.00377
"1270901"	347.124586	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+CH3OH+H"	33.033486
"392272"	667.145358	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+K"	38.963158
"751198"	981.236458	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+K"	38.963158
"1553373"	353.054258	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+K"	38.963158
"313957"	334.076317	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+H+K"	39.970434
"706742"	491.121867	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+H+K"	39.970434
"1456670"	177.030767	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H+K"	39.970434
"243813"	670.216026	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+ACN+H"	42.033826
"1215427"	356.124926	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+ACN+H"	42.033826
"1200406"	178.566101	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+ACN+2H"	43.041102
"204238"	673.15336	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+2Na-H"	44.97116
"642683"	987.24446	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+2Na-H"	44.97116
"1139625"	359.06226	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2Na-H"	44.97116
"186574"	337.080318	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+2Na"	45.978436
"626137"	494.125868	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+2Na"	45.978436
"1129274"	180.034768	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2Na"	45.978436
"1413528"	120.358937333333	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H+2Na"	46.985712
"1445562"	361.103846	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H+HCOOH"	47.012746
"233880"	342.11334	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+3H2O+2H"	56.04448
"1524002"	375.15589	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+IsoProp+H"	61.06479
"422358"	345.067288	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+Na+K"	61.952376
"781530"	502.112838	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+Na+K"	61.952376
"1674947"	188.021738	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Na+K"	61.952376
"259644"	692.197968	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+ACN+Na"	64.015768
"1235630"	378.106868	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+ACN+Na"	64.015768
"1715772"	378.130393	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+NH4+HCOOH"	64.039293
"1182218"	127.686251333333	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+3Na"	68.967654
"1652836"	383.085788	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Na+HCOOH"	68.994688
"168452"	705.10124	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+2K-H"	76.91904
"612272"	1019.19234	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+2K-H"	76.91904
"1095085"	391.01014	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2K-H"	76.91904
"155183"	353.054258	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"2M+2K"	77.926316
"594741"	510.099808	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"3M+2K"	77.926316
"1079253"	196.008708	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2K"	77.926316
"1113554"	393.024692	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2K+H"	78.933592
"1348849"	393.112307	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+DMSO+H"	79.021207
"1018471"	397.151476	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2ACN+H"	83.060376
"1537690"	398.145108	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+IsoProp+Na+H"	84.054008
"1005110"	199.079376	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+2ACN+2H"	84.067652
"1595359"	399.059728	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+K+HCOOH"	84.968628
"1416644"	429.091238	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+H+CF3COOH"	115.000138
"1148751"	219.592651	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+3ACN+2H"	125.094202
"1697573"	446.117785	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+NH4+CF3COOH"	132.026685
"1636509"	451.07318	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+Na+CF3COOH"	136.98208
"1571550"	467.04712	"C12767"	"Dibenzthion;Sulbentine"	"C17H18N2S2"	"314.0911"	"M+K+CF3COOH"	152.95602
"813461"	399.0326	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M"	0
"986994"	380.01421	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-H2O-H"	-19.01839
"66490"	265.014457333333	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M-3H"	-3.021828
"513707"	398.025324	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M-3H"	-3.021828
"888227"	132.003590666667	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-3H"	-3.021828
"8988"	398.025324	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M-2H"	-2.014552
"447454"	597.541624	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M-2H"	-2.014552
"830725"	198.509024	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-2H"	-2.014552
"90732"	797.057924	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M-H"	-1.007276
"531143"	1196.090524	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M-H"	-1.007276
"909673"	398.025324	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-H"	-1.007276
"60769"	814.084471	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M-2H+NH4"	16.019271
"500568"	1213.117071	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M-2H+NH4"	16.019271
"877764"	415.051871	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-2H+NH4"	16.019271
"46641"	819.039866	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M-2H+Na"	20.974666
"486808"	1218.072466	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M-2H+Na"	20.974666
"862904"	420.007266	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-2H+Na"	20.974666
"1626971"	420.007266	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Na-2H"	20.974666
"103499"	416.013663	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M-H+Cl"	33.962126
"545245"	615.529963	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M-H+Cl"	33.962126
"936573"	216.497363	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-H+Cl"	33.962126
"269662"	833.034602	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+Cl"	34.969402
"661353"	1232.067202	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+Cl"	34.969402
"1274479"	434.002002	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Cl"	34.969402
"17886"	835.013806	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M-2H+K"	36.948606
"457694"	1234.046406	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M-2H+K"	36.948606
"842062"	435.981206	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-2H+K"	36.948606
"1562270"	435.981206	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+K-2H"	36.948606
"947965"	444.030794	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-H+HCOOH"	44.998194
"363994"	843.063401	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+HCOOH-H"	44.998201
"346783"	857.079051	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+Hac-H"	59.013851
"1496709"	458.046451	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Hac-H"	59.013851
"960000"	466.012751	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-H+NaCOOH"	66.980151
"124102"	434.002002	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+2Cl"	69.938804
"562567"	633.518302	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+2Cl"	69.938804
"1024805"	234.485702	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2Cl"	69.938804
"1245478"	477.951485	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Br"	78.918885
"1309020"	480.007472	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Cl+HCOOH"	80.974872
"1334179"	501.989429	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Cl+NaCOOH"	102.956829
"924873"	512.018186	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M-H+CF3COOH"	112.985586
"1301579"	547.994864	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Cl+CF3COOH"	148.962264
"1381928"	364.019924	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H-2H2O"	-35.012676
"1391040"	382.0299	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H-H2O"	-17.0027
"291819"	799.072476	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+H"	1.007276
"682054"	1198.105076	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+H"	1.007276
"1361684"	400.039876	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H"	1.007276
"136399"	400.039876	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+2H"	2.014552
"570857"	599.556176	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+2H"	2.014552
"1042934"	200.523576	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2H"	2.014552
"210838"	267.029009333333	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+3H"	3.021828
"658428"	400.039876	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+3H"	3.021828
"1178011"	134.018142666667	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+3H"	3.021828
"438001"	816.099023	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+NH4"	18.033823
"798997"	1215.131623	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+NH4"	18.033823
"1695326"	417.066423	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+NH4"	18.033823
"342146"	408.5531495	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+H+NH4"	19.041099
"736392"	608.0694495	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+H+NH4"	19.041099
"1489845"	209.0368495	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H+NH4"	19.041099
"402326"	821.054418	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+Na"	22.989218
"761134"	1220.087018	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+Na"	22.989218
"1615063"	422.021818	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Na"	22.989218
"324735"	411.030847	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+H+Na"	23.996494
"719350"	610.547147	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+H+Na"	23.996494
"1472802"	211.514547	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H+Na"	23.996494
"1064957"	141.345456666667	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2H+Na"	25.00377
"1271985"	432.066086	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+CH3OH+H"	33.033486
"392146"	837.028358	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+K"	38.963158
"750944"	1236.060958	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+K"	38.963158
"1551902"	437.995758	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+K"	38.963158
"314052"	419.017817	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+H+K"	39.970434
"706364"	618.534117	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+H+K"	39.970434
"1456050"	219.501517	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H+K"	39.970434
"243923"	840.099026	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+ACN+H"	42.033826
"1215537"	441.066426	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+ACN+H"	42.033826
"1200516"	221.036851	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+ACN+2H"	43.041102
"203604"	843.03636	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+2Na-H"	44.97116
"642793"	1242.06896	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+2Na-H"	44.97116
"1139735"	444.00376	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2Na-H"	44.97116
"185959"	422.021818	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+2Na"	45.978436
"627586"	621.538118	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+2Na"	45.978436
"1129021"	222.505518	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2Na"	45.978436
"1412911"	148.672770666667	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H+2Na"	46.985712
"1444543"	446.045346	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H+HCOOH"	47.012746
"235329"	427.05484	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+3H2O+2H"	56.04448
"1523757"	460.09739	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+IsoProp+H"	61.06479
"423441"	430.008788	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+Na+K"	61.952376
"780547"	629.525088	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+Na+K"	61.952376
"1677609"	230.492488	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Na+K"	61.952376
"260849"	862.080968	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+ACN+Na"	64.015768
"1237201"	463.048368	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+ACN+Na"	64.015768
"1714059"	463.071893	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+NH4+HCOOH"	64.039293
"1180869"	156.000084666667	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+3Na"	68.967654
"1652218"	468.027288	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Na+HCOOH"	68.994688
"165646"	874.98424	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+2K-H"	76.91904
"612468"	1274.01684	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+2K-H"	76.91904
"1097382"	475.95164	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2K-H"	76.91904
"156757"	437.995758	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"2M+2K"	77.926316
"596922"	637.512058	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"3M+2K"	77.926316
"1081548"	238.479458	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2K"	77.926316
"1110384"	477.966192	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2K+H"	78.933592
"1348958"	478.053807	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+DMSO+H"	79.021207
"1017487"	482.092976	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2ACN+H"	83.060376
"1538408"	483.086608	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+IsoProp+Na+H"	84.054008
"1004246"	241.550126	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+2ACN+2H"	84.067652
"1593282"	484.001228	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+K+HCOOH"	84.968628
"1416025"	514.032738	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+H+CF3COOH"	115.000138
"1148497"	262.063401	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+3ACN+2H"	125.094202
"1697319"	531.059285	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+NH4+CF3COOH"	132.026685
"1635523"	536.01468	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+Na+CF3COOH"	136.98208
"1571456"	551.98862	"C12768"	"Timepidium bromide;Timepidium bromide anhydrous"	"C17H22NOS2Br"	"399.0326"	"M+K+CF3COOH"	152.95602
"803730"	475.3145	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M"	0
"988199"	456.29611	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-H2O-H"	-19.01839
"72068"	315.869057333333	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M-3H"	-3.021828
"517097"	474.307224	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M-3H"	-3.021828
"885057"	157.430890666667	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-3H"	-3.021828
"9098"	474.307224	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M-2H"	-2.014552
"445377"	711.964474	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M-2H"	-2.014552
"827555"	236.649974	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-2H"	-2.014552
"92423"	949.621724	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M-H"	-1.007276
"532955"	1424.936224	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M-H"	-1.007276
"910271"	474.307224	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-H"	-1.007276
"61365"	966.648271	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M-2H+NH4"	16.019271
"502222"	1441.962771	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M-2H+NH4"	16.019271
"878852"	491.333771	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-2H+NH4"	16.019271
"45659"	971.603666	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M-2H+Na"	20.974666
"486192"	1446.918166	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M-2H+Na"	20.974666
"863508"	496.289166	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-2H+Na"	20.974666
"1632549"	496.289166	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Na-2H"	20.974666
"106889"	492.295563	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M-H+Cl"	33.962126
"548031"	729.952813	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M-H+Cl"	33.962126
"937778"	254.638313	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-H+Cl"	33.962126
"277427"	985.598402	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+Cl"	34.969402
"670940"	1460.912902	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+Cl"	34.969402
"1274960"	510.283902	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Cl"	34.969402
"21526"	987.577606	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M-2H+K"	36.948606
"465458"	1462.892106	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M-2H+K"	36.948606
"842172"	512.263106	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-2H+K"	36.948606
"1565660"	512.263106	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+K-2H"	36.948606
"951355"	520.312694	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-H+HCOOH"	44.998194
"364104"	995.627201	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+HCOOH-H"	44.998201
"346286"	1009.642851	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+Hac-H"	59.013851
"1500099"	534.328351	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Hac-H"	59.013851
"965457"	542.294651	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-H+NaCOOH"	66.980151
"124986"	510.283902	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+2Cl"	69.938804
"559397"	747.941152	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+2Cl"	69.938804
"1032570"	272.626652	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2Cl"	69.938804
"1252149"	554.233385	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Br"	78.918885
"1315692"	556.289372	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Cl+HCOOH"	80.974872
"1332829"	578.271329	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Cl+NaCOOH"	102.956829
"924253"	588.300086	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M-H+CF3COOH"	112.985586
"1300964"	624.276764	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Cl+CF3COOH"	148.962264
"1379491"	440.301824	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H-2H2O"	-35.012676
"1391150"	458.3118	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H-H2O"	-17.0027
"291929"	951.636276	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+H"	1.007276
"685445"	1426.950776	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+H"	1.007276
"1364711"	476.321776	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H"	1.007276
"136873"	476.321776	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+2H"	2.014552
"574246"	713.979026	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+2H"	2.014552
"1051430"	238.664526	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2H"	2.014552
"217508"	317.883609333333	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+3H"	3.021828
"658537"	476.321776	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+3H"	3.021828
"1176290"	159.445442666667	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+3H"	3.021828
"436280"	968.662823	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+NH4"	18.033823
"800803"	1443.977323	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+NH4"	18.033823
"1696525"	493.348323	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+NH4"	18.033823
"344077"	484.8350495	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+H+NH4"	19.041099
"736501"	722.4922995	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+H+NH4"	19.041099
"1490322"	247.1777995	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H+NH4"	19.041099
"405716"	973.618218	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+Na"	22.989218
"768536"	1448.932718	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+Na"	22.989218
"1615903"	498.303718	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Na"	22.989218
"328130"	487.312747	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+H+Na"	23.996494
"721645"	724.969997	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+H+Na"	23.996494
"1476076"	249.655497	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H+Na"	23.996494
"1068231"	166.772756666667	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2H+Na"	25.00377
"1269659"	508.347986	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+CH3OH+H"	33.033486
"392664"	989.592158	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+K"	38.963158
"754098"	1464.906658	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+K"	38.963158
"1553834"	514.277658	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+K"	38.963158
"314101"	495.299717	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+H+K"	39.970434
"707055"	732.956967	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+H+K"	39.970434
"1457257"	257.642467	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H+K"	39.970434
"248409"	992.662826	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+ACN+H"	42.033826
"1214919"	517.348326	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+ACN+H"	42.033826
"1198803"	259.177801	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+ACN+2H"	43.041102
"195684"	995.60016	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+2Na-H"	44.97116
"633056"	1470.91466	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+2Na-H"	44.97116
"1140938"	520.28566	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2Na-H"	44.97116
"188138"	498.303718	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+2Na"	45.978436
"626362"	735.960968	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+2Na"	45.978436
"1129132"	260.646468	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2Na"	45.978436
"1413025"	174.100070666667	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H+2Na"	46.985712
"1444051"	522.327246	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H+HCOOH"	47.012746
"233742"	503.33674	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+3H2O+2H"	56.04448
"1521439"	536.37929	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+IsoProp+H"	61.06479
"423313"	506.290688	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+Na+K"	61.952376
"783580"	743.947938	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+Na+K"	61.952376
"1678449"	268.633438	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Na+K"	61.952376
"264240"	1014.644768	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+ACN+Na"	64.015768
"1232574"	539.330268	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+ACN+Na"	64.015768
"1719269"	539.353793	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+NH4+HCOOH"	64.039293
"1183529"	181.427384666667	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+3Na"	68.967654
"1655609"	544.309188	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Na+HCOOH"	68.994688
"164662"	1027.54804	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+2K-H"	76.91904
"612010"	1502.86254	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+2K-H"	76.91904
"1099076"	552.23354	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2K-H"	76.91904
"156990"	514.277658	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"2M+2K"	77.926316
"595691"	751.934908	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"3M+2K"	77.926316
"1081659"	276.620408	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2K"	77.926316
"1109400"	554.248092	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2K+H"	78.933592
"1349556"	554.335707	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+DMSO+H"	79.021207
"1020151"	558.374876	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2ACN+H"	83.060376
"1539138"	559.368508	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+IsoProp+Na+H"	84.054008
"1004235"	279.691076	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+2ACN+2H"	84.067652
"1593392"	560.283128	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+K+HCOOH"	84.968628
"1415771"	590.314638	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+H+CF3COOH"	115.000138
"1150431"	300.204351	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+3ACN+2H"	125.094202
"1697430"	607.341185	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+NH4+CF3COOH"	132.026685
"1634905"	612.29658	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+Na+CF3COOH"	136.98208
"1571405"	628.27052	"C12786"	"Dinoprost tromethamine"	"C20H34O5C4H11NO3"	"475.3145"	"M+K+CF3COOH"	152.95602
"803840"	861.5086	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M"	0
"986121"	842.49021	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-H2O-H"	-19.01839
"69991"	573.331790666667	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M-3H"	-3.021828
"505176"	860.501324	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M-3H"	-3.021828
"891729"	286.162257333333	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-3H"	-3.021828
"2648"	860.501324	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M-2H"	-2.014552
"445487"	1291.255624	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M-2H"	-2.014552
"827665"	429.747024	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-2H"	-2.014552
"93140"	1722.009924	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M-H"	-1.007276
"533796"	2583.518524	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M-H"	-1.007276
"910378"	860.501324	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-H"	-1.007276
"62202"	1739.036471	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M-2H+NH4"	16.019271
"501152"	2600.545071	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M-2H+NH4"	16.019271
"875674"	877.527871	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-2H+NH4"	16.019271
"46906"	1743.991866	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M-2H+Na"	20.974666
"486830"	2605.500466	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M-2H+Na"	20.974666
"863934"	882.483266	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-2H+Na"	20.974666
"1631566"	882.483266	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Na-2H"	20.974666
"108824"	878.489663	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M-H+Cl"	33.962126
"545465"	1309.243963	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M-H+Cl"	33.962126
"934608"	447.735363	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-H+Cl"	33.962126
"276444"	1757.986602	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+Cl"	34.969402
"671051"	2619.495202	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+Cl"	34.969402
"1274706"	896.478002	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Cl"	34.969402
"21636"	1759.965806	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M-2H+K"	36.948606
"465568"	2621.474406	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M-2H+K"	36.948606
"842282"	898.457206	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-2H+K"	36.948606
"1564677"	898.457206	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+K-2H"	36.948606
"951465"	906.506794	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-H+HCOOH"	44.998194
"364214"	1768.015401	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+HCOOH-H"	44.998201
"345911"	1782.031051	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+Hac-H"	59.013851
"1500209"	920.522451	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Hac-H"	59.013851
"958756"	928.488751	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-H+NaCOOH"	66.980151
"123227"	896.478002	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+2Cl"	69.938804
"559507"	1327.232302	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+2Cl"	69.938804
"1031586"	465.723702	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2Cl"	69.938804
"1252259"	940.427485	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Br"	78.918885
"1309240"	942.483472	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Cl+HCOOH"	80.974872
"1331842"	964.465429	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Cl+NaCOOH"	102.956829
"923996"	974.494186	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M-H+CF3COOH"	112.985586
"1301438"	1010.470864	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Cl+CF3COOH"	148.962264
"1378144"	826.495924	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H-2H2O"	-35.012676
"1391260"	844.5059	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H-H2O"	-17.0027
"294227"	1724.024476	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+H"	1.007276
"687379"	2585.533076	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+H"	1.007276
"1361909"	862.515876	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H"	1.007276
"136983"	862.515876	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+2H"	2.014552
"574356"	1293.270176	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+2H"	2.014552
"1048260"	431.761576	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2H"	2.014552
"211058"	575.346342666667	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+3H"	3.021828
"654262"	862.515876	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+3H"	3.021828
"1177128"	288.176809333333	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+3H"	3.021828
"439796"	1741.051023	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+NH4"	18.033823
"799583"	2602.559623	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+NH4"	18.033823
"1695182"	879.542423	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+NH4"	18.033823
"343825"	871.0291495	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+H+NH4"	19.041099
"736975"	1301.7834495	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+H+NH4"	19.041099
"1491521"	440.2748495	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H+NH4"	19.041099
"405826"	1746.006418	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+Na"	22.989218
"764634"	2607.515018	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+Na"	22.989218
"1612731"	884.497818	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Na"	22.989218
"328235"	873.506847	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+H+Na"	23.996494
"720657"	1304.261147	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+H+Na"	23.996494
"1471198"	442.752547	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H+Na"	23.996494
"1063715"	295.504123333333	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2H+Na"	25.00377
"1267945"	894.542086	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+CH3OH+H"	33.033486
"391990"	1761.980358	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+K"	38.963158
"754003"	2623.488958	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+K"	38.963158
"1547747"	900.471758	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+K"	38.963158
"314050"	881.493817	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+H+K"	39.970434
"706912"	1312.248117	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+H+K"	39.970434
"1459188"	450.739517	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H+K"	39.970434
"248517"	1765.051026	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+ACN+H"	42.033826
"1214665"	903.542426	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+ACN+H"	42.033826
"1199642"	452.274851	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+ACN+2H"	43.041102
"195794"	1767.98836	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+2Na-H"	44.97116
"632074"	2629.49696	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+2Na-H"	44.97116
"1133755"	906.47976	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2Na-H"	44.97116
"186905"	884.497818	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+2Na"	45.978436
"626829"	1315.252118	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+2Na"	45.978436
"1130697"	453.743518	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2Na"	45.978436
"1413135"	302.831437333333	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H+2Na"	46.985712
"1444801"	908.521346	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H+HCOOH"	47.012746
"233486"	889.53084	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+3H2O+2H"	56.04448
"1522279"	922.57339	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+IsoProp+H"	61.06479
"422694"	892.484788	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+Na+K"	61.952376
"782959"	1323.239088	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+Na+K"	61.952376
"1677469"	461.730488	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Na+K"	61.952376
"262892"	1787.032968	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+ACN+Na"	64.015768
"1234871"	925.524368	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+ACN+Na"	64.015768
"1718286"	925.547893	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+NH4+HCOOH"	64.039293
"1184733"	310.158751333333	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+3Na"	68.967654
"1653535"	930.503288	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Na+HCOOH"	68.994688
"162586"	1799.93624	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+2K-H"	76.91904
"612526"	2661.44484	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+2K-H"	76.91904
"1099186"	938.42764	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2K-H"	76.91904
"156896"	900.471758	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"2M+2K"	77.926316
"596410"	1331.226058	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"3M+2K"	77.926316
"1081769"	469.717458	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2K"	77.926316
"1109510"	940.442192	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2K+H"	78.933592
"1349177"	940.529807	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+DMSO+H"	79.021207
"1019894"	944.568976	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2ACN+H"	83.060376
"1539605"	945.562608	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+IsoProp+Na+H"	84.054008
"1003373"	472.788126	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+2ACN+2H"	84.067652
"1593502"	946.477228	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+K+HCOOH"	84.968628
"1415881"	976.508738	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+H+CF3COOH"	115.000138
"1147989"	493.301401	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+3ACN+2H"	125.094202
"1697213"	993.535285	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+NH4+CF3COOH"	132.026685
"1634244"	998.49068	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+Na+CF3COOH"	136.98208
"1571515"	1014.46462	"C12796"	"Erythromycin ethylsuccinate"	"C43H75NO16"	"861.5086"	"M+K+CF3COOH"	152.95602
"803950"	263.0844	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M"	0
"986231"	244.06601	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-H2O-H"	-19.01839
"70101"	174.382324	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M-3H"	-3.021828
"505286"	262.077124	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M-3H"	-3.021828
"892932"	86.687524	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-3H"	-3.021828
"4943"	262.077124	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M-2H"	-2.014552
"447783"	393.619324	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M-2H"	-2.014552
"827775"	130.534924	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-2H"	-2.014552
"92156"	525.161524	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M-H"	-1.007276
"533176"	788.245924	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M-H"	-1.007276
"910974"	262.077124	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-H"	-1.007276
"62554"	542.188071	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M-2H+NH4"	16.019271
"501141"	805.272471	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M-2H+NH4"	16.019271
"877971"	279.103671	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-2H+NH4"	16.019271
"46888"	547.143466	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M-2H+Na"	20.974666
"487030"	810.227866	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M-2H+Na"	20.974666
"864012"	284.059066	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-2H+Na"	20.974666
"1633990"	284.059066	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Na-2H"	20.974666
"109747"	280.065463	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M-H+Cl"	33.962126
"544482"	411.607663	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M-H+Cl"	33.962126
"936905"	148.523263	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-H+Cl"	33.962126
"274367"	561.138202	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+Cl"	34.969402
"671160"	824.222602	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+Cl"	34.969402
"1278096"	298.053802	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Cl"	34.969402
"18465"	563.117406	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M-2H+K"	36.948606
"462398"	826.201806	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M-2H+K"	36.948606
"843485"	300.033006	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-2H+K"	36.948606
"1562600"	300.033006	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+K-2H"	36.948606
"951575"	308.082594	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-H+HCOOH"	44.998194
"367604"	571.167001	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+HCOOH-H"	44.998201
"347114"	585.182651	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+Hac-H"	59.013851
"1500319"	322.098251	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Hac-H"	59.013851
"958990"	330.064551	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-H+NaCOOH"	66.980151
"124067"	298.053802	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+2Cl"	69.938804
"560710"	429.596002	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+2Cl"	69.938804
"1031696"	166.511602	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2Cl"	69.938804
"1244712"	342.003285	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Br"	78.918885
"1309350"	344.059272	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Cl+HCOOH"	80.974872
"1325751"	366.041229	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Cl+NaCOOH"	102.956829
"914255"	376.069986	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M-H+CF3COOH"	112.985586
"1289501"	412.046664	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Cl+CF3COOH"	148.962264
"1378982"	228.071724	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H-2H2O"	-35.012676
"1395381"	246.0817	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H-H2O"	-17.0027
"294337"	527.176076	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+H"	1.007276
"687124"	790.260476	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+H"	1.007276
"1362747"	264.091676	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H"	1.007276
"137457"	264.091676	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+2H"	2.014552
"571186"	395.633876	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+2H"	2.014552
"1039985"	132.549476	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2H"	2.014552
"212261"	176.396876	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+3H"	3.021828
"654736"	264.091676	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+3H"	3.021828
"1168851"	88.702076	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+3H"	3.021828
"436501"	544.202623	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+NH4"	18.033823
"800296"	807.287023	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+NH4"	18.033823
"1694927"	281.118223	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+NH4"	18.033823
"344299"	272.6049495	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+H+NH4"	19.041099
"737572"	404.1471495	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+H+NH4"	19.041099
"1491510"	141.0627495	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H+NH4"	19.041099
"399375"	549.158018	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+Na"	22.989218
"764744"	812.242418	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+Na"	22.989218
"1609560"	286.073618	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Na"	22.989218
"325065"	275.082647	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+H+Na"	23.996494
"719309"	406.624847	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+H+Na"	23.996494
"1471308"	143.540447	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H+Na"	23.996494
"1062732"	96.02939	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2H+Na"	25.00377
"1265868"	296.117886	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+CH3OH+H"	33.033486
"388818"	565.131958	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+K"	38.963158
"749085"	828.216358	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+K"	38.963158
"1547857"	302.047558	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+K"	38.963158
"313990"	283.069617	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+H+K"	39.970434
"706857"	414.611817	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+H+K"	39.970434
"1458567"	151.527417	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H+K"	39.970434
"247531"	568.202626	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+ACN+H"	42.033826
"1214775"	305.118226	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+ACN+H"	42.033826
"1197566"	153.062751	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+ACN+2H"	43.041102
"195904"	571.13996	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+2Na-H"	44.97116
"633277"	834.22436	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+2Na-H"	44.97116
"1133866"	308.05556	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2Na-H"	44.97116
"187259"	286.073618	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+2Na"	45.978436
"626208"	417.615818	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+2Na"	45.978436
"1127527"	154.531418	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2Na"	45.978436
"1413730"	103.356704	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H+2Na"	46.985712
"1443169"	310.097146	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H+HCOOH"	47.012746
"235258"	291.10664	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+3H2O+2H"	56.04448
"1523890"	324.14919	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+IsoProp+H"	61.06479
"423535"	294.060588	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+Na+K"	61.952376
"783070"	425.602788	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+Na+K"	61.952376
"1679037"	162.518388	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Na+K"	61.952376
"263733"	590.184568	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+ACN+Na"	64.015768
"1234981"	327.100168	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+ACN+Na"	64.015768
"1717304"	327.123693	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+NH4+HCOOH"	64.039293
"1185937"	110.684018	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+3Na"	68.967654
"1656927"	332.079088	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Na+HCOOH"	68.994688
"161603"	603.08784	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+2K-H"	76.91904
"612431"	866.17224	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+2K-H"	76.91904
"1099418"	340.00344	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2K-H"	76.91904
"157009"	302.047558	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"2M+2K"	77.926316
"596890"	433.589758	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"3M+2K"	77.926316
"1081879"	170.505358	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2K"	77.926316
"1115090"	342.017992	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2K+H"	78.933592
"1351121"	342.105607	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+DMSO+H"	79.021207
"1021102"	346.144776	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2ACN+H"	83.060376
"1539829"	347.138408	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+IsoProp+Na+H"	84.054008
"1003483"	173.576026	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+2ACN+2H"	84.067652
"1593612"	348.053028	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+K+HCOOH"	84.968628
"1415990"	378.084538	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+H+CF3COOH"	115.000138
"1147735"	194.089301	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+3ACN+2H"	125.094202
"1697648"	395.111085	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+NH4+CF3COOH"	132.026685
"1634197"	400.06648	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+Na+CF3COOH"	136.98208
"1571324"	416.04042	"C12798"	"Tulobuterol hydrochloride"	"C12H18ClNOHCl"	"263.0844"	"M+K+CF3COOH"	152.95602
"804060"	300.2453	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M"	0
"987434"	281.22691	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-H2O-H"	-19.01839
"73491"	199.156257333333	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M-3H"	-3.021828
"510864"	299.238024	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M-3H"	-3.021828
"883198"	99.0744906666666	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-3H"	-3.021828
"10522"	299.238024	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M-2H"	-2.014552
"446801"	449.360674	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M-2H"	-2.014552
"827885"	149.115374	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-2H"	-2.014552
"93603"	599.483324	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M-H"	-1.007276
"531465"	899.728624	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M-H"	-1.007276
"909626"	299.238024	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-H"	-1.007276
"61573"	616.509871	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M-2H+NH4"	16.019271
"500278"	916.755171	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M-2H+NH4"	16.019271
"878812"	316.264571	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-2H+NH4"	16.019271
"46471"	621.465266	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M-2H+Na"	20.974666
"486278"	921.710566	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M-2H+Na"	20.974666
"863793"	321.219966	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-2H+Na"	20.974666
"1633247"	321.219966	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Na-2H"	20.974666
"106127"	317.226363	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M-H+Cl"	33.962126
"544592"	467.349013	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M-H+Cl"	33.962126
"935919"	167.103713	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-H+Cl"	33.962126
"274477"	635.460002	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+Cl"	34.969402
"673093"	935.705302	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+Cl"	34.969402
"1274927"	335.214702	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Cl"	34.969402
"18575"	637.439206	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M-2H+K"	36.948606
"462508"	937.684506	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M-2H+K"	36.948606
"840315"	337.193906	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-2H+K"	36.948606
"1560522"	337.193906	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+K-2H"	36.948606
"951685"	345.243494	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-H+HCOOH"	44.998194
"364434"	645.488801	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+HCOOH-H"	44.998201
"352691"	659.504451	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+Hac-H"	59.013851
"1497513"	359.259151	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Hac-H"	59.013851
"958732"	367.225451	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-H+NaCOOH"	66.980151
"122354"	335.214702	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+2Cl"	69.938804
"560820"	485.337352	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+2Cl"	69.938804
"1028526"	185.092052	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2Cl"	69.938804
"1243729"	379.164185	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Br"	78.918885
"1310553"	381.220172	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Cl+HCOOH"	80.974872
"1322581"	403.202129	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Cl+NaCOOH"	102.956829
"916918"	413.230886	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M-H+CF3COOH"	112.985586
"1289613"	449.207564	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Cl+CF3COOH"	148.962264
"1381401"	265.232624	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H-2H2O"	-35.012676
"1396219"	283.2426	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H-H2O"	-17.0027
"292260"	601.497876	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+H"	1.007276
"686140"	901.743176	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+H"	1.007276
"1362858"	301.252576	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H"	1.007276
"136837"	301.252576	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+2H"	2.014552
"572387"	451.375226	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+2H"	2.014552
"1042281"	151.129926	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2H"	2.014552
"209090"	201.170809333333	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+3H"	3.021828
"649742"	301.252576	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+3H"	3.021828
"1170054"	101.089042666667	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+3H"	3.021828
"434423"	618.524423	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+NH4"	18.033823
"799075"	918.769723	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+NH4"	18.033823
"1693210"	318.279123	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+NH4"	18.033823
"343679"	309.7658495	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+H+NH4"	19.041099
"737198"	459.8884995	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+H+NH4"	19.041099
"1491624"	159.6431995	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H+NH4"	19.041099
"399484"	623.479818	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+Na"	22.989218
"764854"	923.725118	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+Na"	22.989218
"1608577"	323.234518	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Na"	22.989218
"321895"	312.243547	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+H+Na"	23.996494
"717596"	462.366197	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+H+Na"	23.996494
"1471418"	162.120897	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H+Na"	23.996494
"1064666"	108.416356666667	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2H+Na"	25.00377
"1266342"	333.278786	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+CH3OH+H"	33.033486
"388564"	639.453758	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+K"	38.963158
"749195"	939.699058	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+K"	38.963158
"1549060"	339.208458	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+K"	38.963158
"313167"	320.230517	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+H+K"	39.970434
"704127"	470.353167	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+H+K"	39.970434
"1456488"	170.107867	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H+K"	39.970434
"245455"	642.524426	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+ACN+H"	42.033826
"1214887"	342.279126	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+ACN+H"	42.033826
"1199863"	171.643201	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+ACN+2H"	43.041102
"193828"	645.46176	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+2Na-H"	44.97116
"632294"	945.70706	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+2Na-H"	44.97116
"1134705"	345.21646	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2Na-H"	44.97116
"185664"	323.234518	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+2Na"	45.978436
"626317"	473.357168	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+2Na"	45.978436
"1127273"	173.111868	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2Na"	45.978436
"1412745"	115.743670666667	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H+2Na"	46.985712
"1443644"	347.258046	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H+HCOOH"	47.012746
"233706"	328.26754	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+3H2O+2H"	56.04448
"1521400"	361.31009	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+IsoProp+H"	61.06479
"420721"	331.221488	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+Na+K"	61.952376
"782812"	481.344138	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+Na+K"	61.952376
"1679512"	181.098838	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Na+K"	61.952376
"264935"	664.506368	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+ACN+Na"	64.015768
"1238371"	364.261068	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+ACN+Na"	64.015768
"1720697"	364.284593	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+NH4+HCOOH"	64.039293
"1187144"	123.070984666667	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+3Na"	68.967654
"1655944"	369.239988	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Na+HCOOH"	68.994688
"160619"	677.40964	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+2K-H"	76.91904
"612668"	977.65494	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+2K-H"	76.91904
"1098797"	377.16434	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2K-H"	76.91904
"157117"	339.208458	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"2M+2K"	77.926316
"596999"	489.331108	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"3M+2K"	77.926316
"1083327"	189.085808	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2K"	77.926316
"1115407"	379.178892	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2K+H"	78.933592
"1351061"	379.266507	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+DMSO+H"	79.021207
"1021289"	383.305676	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2ACN+H"	83.060376
"1539579"	384.299308	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+IsoProp+Na+H"	84.054008
"1001406"	192.156476	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+2ACN+2H"	84.067652
"1592628"	385.213928	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+K+HCOOH"	84.968628
"1415007"	415.245438	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+H+CF3COOH"	115.000138
"1150761"	212.669751	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+3ACN+2H"	125.094202
"1697396"	432.271985	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+NH4+CF3COOH"	132.026685
"1634302"	437.22738	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+Na+CF3COOH"	136.98208
"1573803"	453.20132	"C12811"	"Allylestrenol"	"C21H32O"	"300.2453"	"M+K+CF3COOH"	152.95602
"804170"	385.1405	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M"	0
"986451"	366.12211	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-H2O-H"	-19.01839
"73601"	255.753057333333	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M-3H"	-3.021828
"510974"	384.133224	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M-3H"	-3.021828
"885495"	127.372890666667	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-3H"	-3.021828
"7352"	384.133224	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M-2H"	-2.014552
"450191"	576.703474	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M-2H"	-2.014552
"824715"	191.562974	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-2H"	-2.014552
"88003"	769.273724	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M-H"	-1.007276
"530113"	1154.414224	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M-H"	-1.007276
"905000"	384.133224	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-H"	-1.007276
"58644"	786.300271	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M-2H+NH4"	16.019271
"499296"	1171.440771	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M-2H+NH4"	16.019271
"877825"	401.159771	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-2H+NH4"	16.019271
"46094"	791.255666	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M-2H+Na"	20.974666
"482373"	1176.396166	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M-2H+Na"	20.974666
"859081"	406.115166	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-2H+Na"	20.974666
"1624241"	406.115166	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Na-2H"	20.974666
"97489"	402.121563	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M-H+Cl"	33.962126
"541422"	594.691813	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M-H+Cl"	33.962126
"936028"	209.551313	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-H+Cl"	33.962126
"274587"	805.250402	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+Cl"	34.969402
"670287"	1190.390902	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+Cl"	34.969402
"1281595"	420.109902	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Cl"	34.969402
"18685"	807.229606	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M-2H+K"	36.948606
"459338"	1192.370106	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M-2H+K"	36.948606
"837145"	422.089106	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-2H+K"	36.948606
"1555627"	422.089106	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+K-2H"	36.948606
"946327"	430.138694	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-H+HCOOH"	44.998194
"364544"	815.279201	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+HCOOH-H"	44.998201
"347333"	829.294851	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+Hac-H"	59.013851
"1493731"	444.154351	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Hac-H"	59.013851
"958993"	452.120651	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-H+NaCOOH"	66.980151
"118090"	420.109902	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+2Cl"	69.938804
"556556"	612.680152	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+2Cl"	69.938804
"1025356"	227.539652	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2Cl"	69.938804
"1242745"	464.059385	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Br"	78.918885
"1309569"	466.115372	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Cl+HCOOH"	80.974872
"1321230"	488.097329	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Cl+NaCOOH"	102.956829
"913017"	498.126086	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M-H+CF3COOH"	112.985586
"1288750"	534.102764	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Cl+CF3COOH"	148.962264
"1381748"	350.127824	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H-2H2O"	-35.012676
"1396329"	368.1378	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H-H2O"	-17.0027
"292370"	771.288276	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+H"	1.007276
"686978"	1156.428776	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+H"	1.007276
"1364060"	386.147776	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H"	1.007276
"137311"	386.147776	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+2H"	2.014552
"576872"	578.718026	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+2H"	2.014552
"1045672"	193.577526	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2H"	2.014552
"209200"	257.767609333333	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+3H"	3.021828
"649851"	386.147776	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+3H"	3.021828
"1171257"	129.387442666667	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+3H"	3.021828
"434533"	788.314823	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+NH4"	18.033823
"799184"	1173.455323	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+NH4"	18.033823
"1694048"	403.174323	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+NH4"	18.033823
"344153"	394.6610495	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+H+NH4"	19.041099
"737311"	587.2312995	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+H+NH4"	19.041099
"1491735"	202.0907995	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H+NH4"	19.041099
"399594"	793.270218	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+Na"	22.989218
"764600"	1178.410718	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+Na"	22.989218
"1608687"	408.129718	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Na"	22.989218
"323098"	397.138747	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+H+Na"	23.996494
"717706"	589.708997	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+H+Na"	23.996494
"1471528"	204.568497	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H+Na"	23.996494
"1065140"	136.714756666667	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2H+Na"	25.00377
"1266088"	418.173986	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+CH3OH+H"	33.033486
"389402"	809.244158	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+K"	38.963158
"751127"	1194.384658	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+K"	38.963158
"1550263"	424.103658	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+K"	38.963158
"312182"	405.125717	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+H+K"	39.970434
"704236"	597.695967	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+H+K"	39.970434
"1456962"	212.555467	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H+K"	39.970434
"246658"	812.314826	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+ACN+H"	42.033826
"1214997"	427.174326	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+ACN+H"	42.033826
"1201066"	214.090801	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+ACN+2H"	43.041102
"196124"	815.25216	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+2Na-H"	44.97116
"631310"	1200.39266	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+2Na-H"	44.97116
"1134084"	430.11166	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2Na-H"	44.97116
"186132"	408.129718	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+2Na"	45.978436
"622048"	600.699968	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+2Na"	45.978436
"1127380"	215.559468	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2Na"	45.978436
"1410910"	144.042070666667	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H+2Na"	46.985712
"1442658"	432.153246	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H+HCOOH"	47.012746
"233083"	413.16274	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+3H2O+2H"	56.04448
"1520415"	446.20529	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+IsoProp+H"	61.06479
"420829"	416.116688	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+Na+K"	61.952376
"782555"	608.686938	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+Na+K"	61.952376
"1677795"	223.546438	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Na+K"	61.952376
"260302"	834.296768	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+ACN+Na"	64.015768
"1236291"	449.156268	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+ACN+Na"	64.015768
"1718620"	449.179793	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+NH4+HCOOH"	64.039293
"1185067"	151.369384666667	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+3Na"	68.967654
"1654959"	454.135188	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Na+HCOOH"	68.994688
"160729"	847.20004	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+2K-H"	76.91904
"612326"	1232.34054	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+2K-H"	76.91904
"1096841"	462.05954	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2K-H"	76.91904
"156818"	424.103658	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"2M+2K"	77.926316
"596622"	616.673908	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"3M+2K"	77.926316
"1077724"	231.533408	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2K"	77.926316
"1114582"	464.074092	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2K+H"	78.933592
"1350848"	464.161707	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+DMSO+H"	79.021207
"1020104"	468.200876	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2ACN+H"	83.060376
"1538230"	469.194508	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+IsoProp+Na+H"	84.054008
"999329"	234.604076	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+2ACN+2H"	84.067652
"1592738"	470.109128	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+K+HCOOH"	84.968628
"1415237"	500.140638	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+H+CF3COOH"	115.000138
"1147955"	255.117351	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+3ACN+2H"	125.094202
"1698236"	517.167185	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+NH4+CF3COOH"	132.026685
"1634453"	522.12258	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+Na+CF3COOH"	136.98208
"1573913"	538.09652	"C12814"	"Prifinium bromide"	"C22H28NBr"	"385.1405"	"M+K+CF3COOH"	152.95602
"804280"	530.288	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M"	0
"987654"	511.26961	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-H2O-H"	-19.01839
"73711"	352.518057333333	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M-3H"	-3.021828
"511084"	529.280724	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M-3H"	-3.021828
"883418"	175.755390666667	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-3H"	-3.021828
"7461"	529.280724	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M-2H"	-2.014552
"448115"	794.424724	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M-2H"	-2.014552
"824825"	264.136724	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-2H"	-2.014552
"88114"	1059.568724	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M-H"	-1.007276
"532045"	1589.856724	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M-H"	-1.007276
"907661"	529.280724	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-H"	-1.007276
"58754"	1076.595271	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M-2H+NH4"	16.019271
"498314"	1606.883271	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M-2H+NH4"	16.019271
"877207"	546.307271	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-2H+NH4"	16.019271
"46323"	1081.550666	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M-2H+Na"	20.974666
"484670"	1611.838666	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M-2H+Na"	20.974666
"860285"	551.262666	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-2H+Na"	20.974666
"1623258"	551.262666	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Na-2H"	20.974666
"95168"	547.269063	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M-H+Cl"	33.962126
"542627"	812.413063	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M-H+Cl"	33.962126
"938325"	282.125063	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-H+Cl"	33.962126
"270324"	1095.545402	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+Cl"	34.969402
"662378"	1625.833402	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+Cl"	34.969402
"1278425"	565.257402	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Cl"	34.969402
"17332"	1097.524606	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M-2H+K"	36.948606
"459447"	1627.812606	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M-2H+K"	36.948606
"837255"	567.236606	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-2H+K"	36.948606
"1556608"	567.236606	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+K-2H"	36.948606
"945708"	575.286194	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-H+HCOOH"	44.998194
"366841"	1105.574201	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+HCOOH-H"	44.998201
"349993"	1119.589851	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+Hac-H"	59.013851
"1493841"	589.301851	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Hac-H"	59.013851
"959062"	597.268151	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-H+NaCOOH"	66.980151
"119293"	565.257402	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+2Cl"	69.938804
"559946"	830.401402	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+2Cl"	69.938804
"1028745"	300.113402	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2Cl"	69.938804
"1246135"	609.206885	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Br"	78.918885
"1307491"	611.262872	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Cl+HCOOH"	80.974872
"1322800"	633.244829	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Cl+NaCOOH"	102.956829
"912398"	643.273586	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M-H+CF3COOH"	112.985586
"1290197"	679.250264	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Cl+CF3COOH"	148.962264
"1378572"	495.275324	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H-2H2O"	-35.012676
"1396439"	513.2853	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H-H2O"	-17.0027
"292480"	1061.583276	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+H"	1.007276
"689643"	1591.871276	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+H"	1.007276
"1365993"	531.295276	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H"	1.007276
"138881"	531.295276	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+2H"	2.014552
"576255"	796.439276	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+2H"	2.014552
"1047242"	266.151276	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2H"	2.014552
"213684"	354.532609333333	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+3H"	3.021828
"648868"	531.295276	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+3H"	3.021828
"1172461"	177.769942666667	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+3H"	3.021828
"435737"	1078.609823	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+NH4"	18.033823
"798190"	1608.897823	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+NH4"	18.033823
"1695252"	548.321823	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+NH4"	18.033823
"344627"	539.8085495	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+H+NH4"	19.041099
"737414"	804.9525495	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+H+NH4"	19.041099
"1491596"	274.6645495	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H+NH4"	19.041099
"398611"	1083.565218	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+Na"	22.989218
"759606"	1613.853218	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+Na"	22.989218
"1608797"	553.277218	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Na"	22.989218
"321021"	542.286247	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+H+Na"	23.996494
"717816"	807.430247	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+H+Na"	23.996494
"1471638"	277.142247	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H+Na"	23.996494
"1065250"	185.097256666667	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2H+Na"	25.00377
"1265469"	563.321486	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+CH3OH+H"	33.033486
"388055"	1099.539158	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+K"	38.963158
"749415"	1629.827158	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+K"	38.963158
"1549280"	569.251158	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+K"	38.963158
"313020"	550.273217	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+H+K"	39.970434
"705804"	815.417217	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+H+K"	39.970434
"1455979"	285.129217	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H+K"	39.970434
"247862"	1102.609826	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+ACN+H"	42.033826
"1215107"	572.321826	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+ACN+H"	42.033826
"1198990"	286.664551	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+ACN+2H"	43.041102
"192955"	1105.54716	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+2Na-H"	44.97116
"633606"	1635.83516	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+2Na-H"	44.97116
"1136016"	575.25916	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2Na-H"	44.97116
"184782"	553.277218	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+2Na"	45.978436
"622158"	818.421218	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+2Na"	45.978436
"1127854"	288.133218	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2Na"	45.978436
"1411384"	192.424570666667	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H+2Na"	46.985712
"1441675"	577.300746	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H+HCOOH"	47.012746
"232097"	558.31024	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+3H2O+2H"	56.04448
"1521619"	591.35279	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+IsoProp+H"	61.06479
"423127"	561.264188	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+Na+K"	61.952376
"784487"	826.408188	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+Na+K"	61.952376
"1679364"	296.120188	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Na+K"	61.952376
"258226"	1124.591768	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+ACN+Na"	64.015768
"1233122"	594.303768	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+ACN+Na"	64.015768
"1718728"	594.327293	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+NH4+HCOOH"	64.039293
"1188459"	199.751884666667	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+3Na"	68.967654
"1653976"	599.282688	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Na+HCOOH"	68.994688
"159746"	1137.49504	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+2K-H"	76.91904
"612314"	1667.78304	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+2K-H"	76.91904
"1099021"	607.20704	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2K-H"	76.91904
"156692"	569.251158	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"2M+2K"	77.926316
"596774"	834.395158	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"3M+2K"	77.926316
"1078928"	304.107158	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2K"	77.926316
"1115301"	609.221592	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2K+H"	78.933592
"1350958"	609.309207	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+DMSO+H"	79.021207
"1020214"	613.348376	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2ACN+H"	83.060376
"1538340"	614.342008	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+IsoProp+Na+H"	84.054008
"999439"	307.177826	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+2ACN+2H"	84.067652
"1593941"	615.256628	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+K+HCOOH"	84.968628
"1419600"	645.288138	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+H+CF3COOH"	115.000138
"1148065"	327.691101	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+3ACN+2H"	125.094202
"1697616"	662.314685	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+NH4+CF3COOH"	132.026685
"1639466"	667.27008	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+Na+CF3COOH"	136.98208
"1574023"	683.24402	"C12816"	"Proscillaridin"	"C30H42O8"	"530.288"	"M+K+CF3COOH"	152.95602
"804390"	213.1001	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M"	0
"987764"	194.08171	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-H2O-H"	-19.01839
"77102"	141.059457333333	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M-3H"	-3.021828
"514474"	212.092824	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M-3H"	-3.021828
"888997"	70.0260906666667	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-3H"	-3.021828
"13040"	212.092824	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M-2H"	-2.014552
"449318"	318.642874	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M-2H"	-2.014552
"826028"	105.542774	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-2H"	-2.014552
"89684"	425.192924	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M-H"	-1.007276
"533005"	638.293024	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M-H"	-1.007276
"907770"	212.092824	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-H"	-1.007276
"58864"	442.219471	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M-2H+NH4"	16.019271
"501461"	655.319571	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M-2H+NH4"	16.019271
"877318"	229.119371	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-2H+NH4"	16.019271
"44128"	447.174866	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M-2H+Na"	20.974666
"482593"	660.274966	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M-2H+Na"	20.974666
"859303"	234.074766	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-2H+Na"	20.974666
"1626648"	234.074766	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Na-2H"	20.974666
"103177"	230.081163	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M-H+Cl"	33.962126
"543831"	336.631213	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M-H+Cl"	33.962126
"938437"	123.531113	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-H+Cl"	33.962126
"271891"	461.169602	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+Cl"	34.969402
"668321"	674.269702	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+Cl"	34.969402
"1281819"	248.069502	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Cl"	34.969402
"25465"	463.148806	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M-2H+K"	36.948606
"460651"	676.248906	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M-2H+K"	36.948606
"837365"	250.048706	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-2H+K"	36.948606
"1564132"	250.048706	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+K-2H"	36.948606
"944724"	258.098294	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-H+HCOOH"	44.998194
"368408"	471.198401	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+HCOOH-H"	44.998201
"350103"	485.214051	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+Hac-H"	59.013851
"1493585"	272.113951	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Hac-H"	59.013851
"958650"	280.080251	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-H+NaCOOH"	66.980151
"125647"	248.069502	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+2Cl"	69.938804
"562244"	354.619552	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+2Cl"	69.938804
"1031043"	141.519452	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2Cl"	69.938804
"1246246"	292.018985	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Br"	78.918885
"1313070"	294.074972	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Cl+HCOOH"	80.974872
"1326190"	316.056929	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Cl+NaCOOH"	102.956829
"918341"	326.085686	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M-H+CF3COOH"	112.985586
"1289944"	362.062364	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Cl+CF3COOH"	148.962264
"1379777"	178.087424	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H-2H2O"	-35.012676
"1395822"	196.0974	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H-H2O"	-17.0027
"292591"	427.207476	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+H"	1.007276
"690118"	640.307576	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+H"	1.007276
"1360636"	214.107376	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H"	1.007276
"137167"	214.107376	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+2H"	2.014552
"575635"	320.657426	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+2H"	2.014552
"1044799"	107.557326	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2H"	2.014552
"212700"	143.074009333333	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+3H"	3.021828
"648978"	214.107376	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+3H"	3.021828
"1172571"	72.0406426666667	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+3H"	3.021828
"433656"	444.234023	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+NH4"	18.033823
"795746"	657.334123	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+NH4"	18.033823
"1690987"	231.133923	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+NH4"	18.033823
"339267"	222.6206495	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+H+NH4"	19.041099
"730594"	329.1706995	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+H+NH4"	19.041099
"1489883"	116.0705995	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H+NH4"	19.041099
"397628"	449.189418	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+Na"	22.989218
"757529"	662.289518	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+Na"	22.989218
"1606720"	236.089318	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Na"	22.989218
"320037"	225.098347	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+H+Na"	23.996494
"716833"	331.648397	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+H+Na"	23.996494
"1473572"	118.548297	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H+Na"	23.996494
"1064630"	79.3679566666667	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2H+Na"	25.00377
"1269954"	246.133586	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+CH3OH+H"	33.033486
"390352"	465.163358	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+K"	38.963158
"753414"	678.263458	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+K"	38.963158
"1552670"	252.063258	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+K"	38.963158
"312766"	233.085317	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+H+K"	39.970434
"705184"	339.635367	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+H+K"	39.970434
"1459371"	126.535267	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H+K"	39.970434
"247606"	468.234026	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+ACN+H"	42.033826
"1215215"	255.133926	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+ACN+H"	42.033826
"1199100"	128.070601	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+ACN+2H"	43.041102
"199626"	471.17136	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+2Na-H"	44.97116
"633718"	684.27146	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+2Na-H"	44.97116
"1140504"	258.07126	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2Na-H"	44.97116
"185986"	236.089318	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+2Na"	45.978436
"623361"	342.639368	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+2Na"	45.978436
"1128695"	129.539268	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2Na"	45.978436
"1412467"	86.6952706666667	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H+2Na"	46.985712
"1443732"	260.112846	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H+HCOOH"	47.012746
"232936"	241.12234	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+3H2O+2H"	56.04448
"1523311"	274.16489	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+IsoProp+H"	61.06479
"422875"	244.076288	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+Na+K"	61.952376
"783873"	350.626338	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+Na+K"	61.952376
"1678379"	137.526238	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Na+K"	61.952376
"262711"	490.215968	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+ACN+Na"	64.015768
"1234326"	277.115868	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+ACN+Na"	64.015768
"1724306"	277.139393	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+NH4+HCOOH"	64.039293
"1186380"	94.0225846666667	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+3Na"	68.967654
"1654084"	282.094788	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Na+HCOOH"	68.994688
"160944"	503.11924	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+2K-H"	76.91904
"612465"	716.21934	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+2K-H"	76.91904
"1099251"	290.01914	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2K-H"	76.91904
"156434"	252.063258	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"2M+2K"	77.926316
"596839"	358.613308	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"3M+2K"	77.926316
"1076851"	145.513208	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2K"	77.926316
"1115289"	292.033692	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2K+H"	78.933592
"1350581"	292.121307	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+DMSO+H"	79.021207
"1018258"	296.160476	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2ACN+H"	83.060376
"1537356"	297.154108	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+IsoProp+Na+H"	84.054008
"998455"	148.583876	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+2ACN+2H"	84.067652
"1591864"	298.068728	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+K+HCOOH"	84.968628
"1417887"	328.100238	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+H+CF3COOH"	115.000138
"1148539"	169.097151	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+3ACN+2H"	125.094202
"1697358"	345.126785	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+NH4+CF3COOH"	132.026685
"1635565"	350.08218	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+Na+CF3COOH"	136.98208
"1574133"	366.05612	"C12819"	"Kainic acid;alpha- Kainic acid;Kainate"	"C10H15NO4"	"213.1001"	"M+K+CF3COOH"	152.95602
"814341"	222.0004	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M"	0
"989336"	202.98201	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-H2O-H"	-19.01839
"75756"	146.992990666667	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M-3H"	-3.021828
"517138"	220.993124	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M-3H"	-3.021828
"889107"	72.9928573333333	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-3H"	-3.021828
"10961"	220.993124	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M-2H"	-2.014552
"447241"	331.993324	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M-2H"	-2.014552
"821765"	109.992924	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-2H"	-2.014552
"90887"	442.993524	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M-H"	-1.007276
"529718"	664.993924	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M-H"	-1.007276
"908977"	220.993124	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-H"	-1.007276
"62257"	460.020071	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M-2H+NH4"	16.019271
"500724"	682.020471	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M-2H+NH4"	16.019271
"878163"	238.019671	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-2H+NH4"	16.019271
"46062"	464.975466	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M-2H+Na"	20.974666
"486919"	686.975866	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M-2H+Na"	20.974666
"863625"	242.975066	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-2H+Na"	20.974666
"1633319"	242.975066	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Na-2H"	20.974666
"109565"	238.981463	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M-H+Cl"	33.962126
"548315"	349.981663	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M-H+Cl"	33.962126
"939642"	127.981263	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-H+Cl"	33.962126
"280020"	478.970202	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+Cl"	34.969402
"671712"	700.970602	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+Cl"	34.969402
"1284116"	256.969802	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Cl"	34.969402
"25575"	480.949406	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M-2H+K"	36.948606
"460761"	702.949806	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M-2H+K"	36.948606
"840755"	258.949006	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-2H+K"	36.948606
"1564242"	258.949006	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+K-2H"	36.948606
"943861"	266.998594	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-H+HCOOH"	44.998194
"368154"	488.999001	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+HCOOH-H"	44.998201
"350213"	503.014651	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+Hac-H"	59.013851
"1493211"	281.014251	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Hac-H"	59.013851
"958603"	288.980551	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-H+NaCOOH"	66.980151
"124978"	256.969802	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+2Cl"	69.938804
"565354"	367.970002	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+2Cl"	69.938804
"1034433"	145.969602	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2Cl"	69.938804
"1246356"	300.919285	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Br"	78.918885
"1317554"	302.975272	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Cl+HCOOH"	80.974872
"1327394"	324.957229	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Cl+NaCOOH"	102.956829
"919545"	334.985986	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M-H+CF3COOH"	112.985586
"1288713"	370.962664	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Cl+CF3COOH"	148.962264
"1379888"	186.987724	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H-2H2O"	-35.012676
"1390822"	204.9977	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H-H2O"	-17.0027
"294890"	445.008076	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+H"	1.007276
"691126"	667.008476	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+H"	1.007276
"1366458"	223.007676	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H"	1.007276
"140887"	223.007676	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+2H"	2.014552
"576111"	334.007876	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+2H"	2.014552
"1046003"	112.007476	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2H"	2.014552
"213902"	149.007542666667	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+3H"	3.021828
"656385"	223.007676	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+3H"	3.021828
"1177671"	75.0074093333333	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+3H"	3.021828
"439612"	462.034623	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+NH4"	18.033823
"801132"	684.035023	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+NH4"	18.033823
"1691098"	240.034223	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+NH4"	18.033823
"339377"	231.5209495	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+H+NH4"	19.041099
"737266"	342.5211495	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+H+NH4"	19.041099
"1488899"	120.5207495	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H+NH4"	19.041099
"405394"	466.990018	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+Na"	22.989218
"762013"	688.990418	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+Na"	22.989218
"1611204"	244.989618	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Na"	22.989218
"323427"	233.998647	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+H+Na"	23.996494
"715486"	344.998847	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+H+Na"	23.996494
"1472953"	122.998447	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H+Na"	23.996494
"1066929"	82.3347233333333	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2H+Na"	25.00377
"1269699"	255.033886	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+CH3OH+H"	33.033486
"390098"	482.963958	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+K"	38.963158
"752917"	704.964358	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+K"	38.963158
"1555421"	260.963558	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+K"	38.963158
"313001"	241.985617	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+H+K"	39.970434
"706025"	352.985817	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+H+K"	39.970434
"1458753"	130.985417	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H+K"	39.970434
"246623"	486.034626	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+ACN+H"	42.033826
"1214232"	264.034226	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+ACN+H"	42.033826
"1203584"	132.520751	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+ACN+2H"	43.041102
"195362"	488.97196	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+2Na-H"	44.97116
"633828"	710.97236	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+2Na-H"	44.97116
"1139521"	266.97156	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2Na-H"	44.97116
"183910"	244.989618	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+2Na"	45.978436
"625661"	355.989818	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+2Na"	45.978436
"1130267"	133.989418	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2Na"	45.978436
"1413312"	89.6620373333333	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H+2Na"	46.985712
"1444814"	269.013146	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H+HCOOH"	47.012746
"234876"	250.02264	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+3H2O+2H"	56.04448
"1521845"	283.06519	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+IsoProp+H"	61.06479
"422628"	252.976588	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+Na+K"	61.952376
"785202"	363.976788	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+Na+K"	61.952376
"1676302"	141.976388	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Na+K"	61.952376
"262822"	508.016568	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+ACN+Na"	64.015768
"1236625"	286.016168	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+ACN+Na"	64.015768
"1727698"	286.039693	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+NH4+HCOOH"	64.039293
"1188680"	96.9893513333333	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+3Na"	68.967654
"1655291"	290.995088	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Na+HCOOH"	68.994688
"163242"	520.91984	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+2K-H"	76.91904
"600983"	742.92024	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+2K-H"	76.91904
"1099769"	298.91944	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2K-H"	76.91904
"156747"	260.963558	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"2M+2K"	77.926316
"596705"	371.963758	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"3M+2K"	77.926316
"1079147"	149.963358	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2K"	77.926316
"1103973"	300.933992	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2K+H"	78.933592
"1349231"	301.021607	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+DMSO+H"	79.021207
"1016179"	305.060776	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2ACN+H"	83.060376
"1537221"	306.054408	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+IsoProp+Na+H"	84.054008
"996378"	153.034026	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+2ACN+2H"	84.067652
"1593068"	306.969028	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+K+HCOOH"	84.968628
"1417634"	337.000538	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+H+CF3COOH"	115.000138
"1149378"	173.547301	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+3ACN+2H"	125.094202
"1697835"	354.027085	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+NH4+CF3COOH"	132.026685
"1634946"	358.98248	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+Na+CF3COOH"	136.98208
"1574243"	374.95642	"C12829"	"Bromisovalum;Bromovalerylurea"	"C6H11BrN2O2"	"222.0004"	"M+K+CF3COOH"	152.95602
"804610"	211.9199	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M"	0
"987621"	192.90151	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-H2O-H"	-19.01839
"65295"	140.272657333333	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M-3H"	-3.021828
"507040"	210.912624	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M-3H"	-3.021828
"884842"	69.6326906666667	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-3H"	-3.021828
"3416"	210.912624	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M-2H"	-2.014552
"446257"	316.872574	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M-2H"	-2.014552
"819684"	104.952674	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-2H"	-2.014552
"91363"	422.832524	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M-H"	-1.007276
"530559"	634.752424	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M-H"	-1.007276
"909818"	210.912624	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-H"	-1.007276
"61885"	439.859071	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M-2H+NH4"	16.019271
"501081"	651.778971	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M-2H+NH4"	16.019271
"879207"	227.939171	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-2H+NH4"	16.019271
"45809"	444.814466	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M-2H+Na"	20.974666
"486097"	656.734366	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M-2H+Na"	20.974666
"863775"	232.894566	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-2H+Na"	20.974666
"1633187"	232.894566	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Na-2H"	20.974666
"108742"	228.900963	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M-H+Cl"	33.962126
"549849"	334.860913	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M-H+Cl"	33.962126
"937564"	122.941013	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-H+Cl"	33.962126
"278307"	458.809202	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+Cl"	34.969402
"671822"	670.729102	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+Cl"	34.969402
"1284225"	246.889302	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Cl"	34.969402
"25685"	460.788406	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M-2H+K"	36.948606
"459777"	672.708306	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M-2H+K"	36.948606
"840865"	248.868506	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-2H+K"	36.948606
"1561072"	248.868506	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+K-2H"	36.948606
"943121"	256.918094	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-H+HCOOH"	44.998194
"368264"	468.838001	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+HCOOH-H"	44.998201
"349230"	482.853651	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+Hac-H"	59.013851
"1493319"	270.933751	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Hac-H"	59.013851
"958670"	278.900051	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-H+NaCOOH"	66.980151
"123995"	246.889302	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+2Cl"	69.938804
"563558"	352.849252	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+2Cl"	69.938804
"1027982"	140.929352	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2Cl"	69.938804
"1246466"	290.838785	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Br"	78.918885
"1315477"	292.894772	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Cl+HCOOH"	80.974872
"1329691"	314.876729	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Cl+NaCOOH"	102.956829
"913093"	324.905486	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M-H+CF3COOH"	112.985586
"1288581"	360.882164	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Cl+CF3COOH"	148.962264
"1379269"	176.907224	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H-2H2O"	-35.012676
"1392025"	194.9172	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H-H2O"	-17.0027
"295000"	424.847076	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+H"	1.007276
"691071"	636.766976	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+H"	1.007276
"1366982"	212.927176	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H"	1.007276
"141160"	212.927176	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+2H"	2.014552
"578409"	318.887126	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+2H"	2.014552
"1045749"	106.967226	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2H"	2.014552
"214012"	142.287209333333	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+3H"	3.021828
"659050"	212.927176	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+3H"	3.021828
"1177420"	71.6472426666667	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+3H"	3.021828
"439113"	441.873623	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+NH4"	18.033823
"800346"	653.793523	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+NH4"	18.033823
"1691208"	229.953723	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+NH4"	18.033823
"340581"	221.4404495	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+H+NH4"	19.041099
"733001"	327.4003995	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+H+NH4"	19.041099
"1486823"	115.4804995	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H+NH4"	19.041099
"400036"	446.829018	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+Na"	22.989218
"763217"	658.748918	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+Na"	22.989218
"1610221"	234.909118	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Na"	22.989218
"321351"	223.918147	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+H+Na"	23.996494
"717419"	329.878097	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+H+Na"	23.996494
"1470875"	117.958197	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H+Na"	23.996494
"1065214"	78.9745566666667	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2H+Na"	25.00377
"1270173"	244.953386	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+CH3OH+H"	33.033486
"388749"	462.802958	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+K"	38.963158
"748650"	674.722858	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+K"	38.963158
"1551797"	250.883058	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+K"	38.963158
"311526"	231.905117	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+H+K"	39.970434
"706378"	337.865067	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+H+K"	39.970434
"1460443"	125.945167	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H+K"	39.970434
"246004"	465.873626	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+ACN+H"	42.033826
"1214342"	253.953726	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+ACN+H"	42.033826
"1202601"	127.480501	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+ACN+2H"	43.041102
"195472"	468.81096	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+2Na-H"	44.97116
"633938"	680.73086	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+2Na-H"	44.97116
"1140724"	256.89106	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2Na-H"	44.97116
"181832"	234.909118	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+2Na"	45.978436
"624678"	340.869068	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+2Na"	45.978436
"1131066"	128.949168	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2Na"	45.978436
"1412814"	86.3018706666667	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H+2Na"	46.985712
"1445551"	258.932646	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H+HCOOH"	47.012746
"234622"	239.94214	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+3H2O+2H"	56.04448
"1523293"	272.98469	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+IsoProp+H"	61.06479
"423465"	242.896088	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+Na+K"	61.952376
"784704"	348.856038	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+Na+K"	61.952376
"1680422"	136.936138	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Na+K"	61.952376
"264391"	487.855568	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+ACN+Na"	64.015768
"1241274"	275.935668	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+ACN+Na"	64.015768
"1728181"	275.959193	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+NH4+HCOOH"	64.039293
"1192071"	93.6291846666667	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+3Na"	68.967654
"1661962"	280.914588	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Na+HCOOH"	68.994688
"160077"	500.75884	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+2K-H"	76.91904
"607292"	712.67874	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+2K-H"	76.91904
"1099868"	288.83894	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2K-H"	76.91904
"156769"	250.883058	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"2M+2K"	77.926316
"596981"	356.843008	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"3M+2K"	77.926316
"1082054"	144.923108	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2K"	77.926316
"1115308"	290.853492	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2K+H"	78.933592
"1349705"	290.941107	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+DMSO+H"	79.021207
"1018478"	294.980276	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2ACN+H"	83.060376
"1538549"	295.973908	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+IsoProp+Na+H"	84.054008
"998675"	147.993776	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+2ACN+2H"	84.067652
"1593178"	296.888528	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+K+HCOOH"	84.968628
"1417744"	326.920038	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+H+CF3COOH"	115.000138
"1149488"	168.507051	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+3ACN+2H"	125.094202
"1698309"	343.946585	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+NH4+CF3COOH"	132.026685
"1635420"	348.90198	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+Na+CF3COOH"	136.98208
"1574353"	364.87592	"C12831"	"346-Trichlorocatechol"	"C6H3Cl3O2"	"211.9199"	"M+K+CF3COOH"	152.95602
"814561"	213.9355	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M"	0
"986274"	194.91711	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-H2O-H"	-19.01839
"73058"	141.616390666667	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M-3H"	-3.021828
"509337"	212.928224	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M-3H"	-3.021828
"884952"	70.3045573333333	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-3H"	-3.021828
"3526"	212.928224	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M-2H"	-2.014552
"445274"	319.895974	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M-2H"	-2.014552
"819794"	105.960474	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-2H"	-2.014552
"92203"	426.863724	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M-H"	-1.007276
"531399"	640.799224	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M-H"	-1.007276
"909077"	212.928224	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-H"	-1.007276
"61993"	443.890271	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M-2H+NH4"	16.019271
"500827"	657.825771	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M-2H+NH4"	16.019271
"878990"	229.954771	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-2H+NH4"	16.019271
"45918"	448.845666	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M-2H+Na"	20.974666
"485114"	662.781166	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M-2H+Na"	20.974666
"863763"	234.910166	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-2H+Na"	20.974666
"1633055"	234.910166	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Na-2H"	20.974666
"107879"	230.916563	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M-H+Cl"	33.962126
"549264"	337.884313	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M-H+Cl"	33.962126
"941683"	123.948813	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-H+Cl"	33.962126
"275137"	462.840402	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+Cl"	34.969402
"673632"	676.775902	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+Cl"	34.969402
"1285427"	248.904902	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Cl"	34.969402
"26888"	464.819606	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M-2H+K"	36.948606
"459887"	678.755106	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M-2H+K"	36.948606
"840975"	250.884106	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-2H+K"	36.948606
"1561182"	250.884106	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+K-2H"	36.948606
"943105"	258.933694	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-H+HCOOH"	44.998194
"365094"	472.869201	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+HCOOH-H"	44.998201
"345972"	486.884851	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+Hac-H"	59.013851
"1493146"	272.949351	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Hac-H"	59.013851
"958532"	280.915651	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-H+NaCOOH"	66.980151
"122644"	248.904902	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+2Cl"	69.938804
"561481"	355.872652	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+2Cl"	69.938804
"1029185"	141.937152	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2Cl"	69.938804
"1246576"	292.854385	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Br"	78.918885
"1315587"	294.910372	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Cl+HCOOH"	80.974872
"1326521"	316.892329	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Cl+NaCOOH"	102.956829
"916483"	326.921086	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M-H+CF3COOH"	112.985586
"1290273"	362.897764	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Cl+CF3COOH"	148.962264
"1379379"	178.922824	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H-2H2O"	-35.012676
"1392135"	196.9328	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H-H2O"	-17.0027
"297661"	428.878276	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+H"	1.007276
"688989"	642.813776	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+H"	1.007276
"1364610"	214.942776	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H"	1.007276
"139565"	214.942776	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+2H"	2.014552
"576695"	321.910526	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+2H"	2.014552
"1045859"	107.975026	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2H"	2.014552
"214121"	143.630942666667	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+3H"	3.021828
"658063"	214.942776	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+3H"	3.021828
"1176188"	72.3191093333333	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+3H"	3.021828
"439461"	445.904823	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+NH4"	18.033823
"796078"	659.840323	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+NH4"	18.033823
"1696305"	231.969323	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+NH4"	18.033823
"340690"	223.4560495	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+H+NH4"	19.041099
"730924"	330.4237995	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+H+NH4"	19.041099
"1485840"	116.4882995	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H+NH4"	19.041099
"402333"	450.860218	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+Na"	22.989218
"761140"	664.795718	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+Na"	22.989218
"1609237"	236.924718	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Na"	22.989218
"321461"	225.933747	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+H+Na"	23.996494
"717164"	332.901497	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+H+Na"	23.996494
"1472807"	118.965997	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H+Na"	23.996494
"1064960"	79.6464233333333	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2H+Na"	25.00377
"1267732"	246.968986	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+CH3OH+H"	33.033486
"388495"	466.834158	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+K"	38.963158
"748760"	680.769658	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+K"	38.963158
"1553365"	252.898658	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+K"	38.963158
"312730"	233.920717	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+H+K"	39.970434
"704057"	340.888467	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+H+K"	39.970434
"1460312"	126.952967	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H+K"	39.970434
"248302"	469.904826	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+ACN+H"	42.033826
"1215545"	255.969326	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+ACN+H"	42.033826
"1203804"	128.488301	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+ACN+2H"	43.041102
"197768"	472.84216	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+2Na-H"	44.97116
"637327"	686.77766	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+2Na-H"	44.97116
"1140834"	258.90666	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2Na-H"	44.97116
"181942"	236.924718	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+2Na"	45.978436
"623331"	343.892468	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+2Na"	45.978436
"1131058"	129.956968	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2Na"	45.978436
"1414167"	86.9737373333333	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H+2Na"	46.985712
"1445391"	260.948246	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H+HCOOH"	47.012746
"235100"	241.95774	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+3H2O+2H"	56.04448
"1524137"	275.00029	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+IsoProp+H"	61.06479
"424235"	244.911688	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+Na+K"	61.952376
"785302"	351.879438	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+Na+K"	61.952376
"1680535"	137.943938	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Na+K"	61.952376
"266774"	491.886768	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+ACN+Na"	64.015768
"1240494"	277.951268	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+ACN+Na"	64.015768
"1728249"	277.974793	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+NH4+HCOOH"	64.039293
"1192182"	94.3010513333333	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+3Na"	68.967654
"1663165"	282.930188	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Na+HCOOH"	68.994688
"159822"	504.79004	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+2K-H"	76.91904
"606309"	718.72554	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+2K-H"	76.91904
"1099219"	290.85454	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2K-H"	76.91904
"157097"	252.898658	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"2M+2K"	77.926316
"597084"	359.866408	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"3M+2K"	77.926316
"1081556"	145.930908	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2K"	77.926316
"1114524"	292.869092	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2K+H"	78.933592
"1348600"	292.956707	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+DMSO+H"	79.021207
"1018588"	296.995876	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2ACN+H"	83.060376
"1537686"	297.989508	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+IsoProp+Na+H"	84.054008
"998785"	149.001576	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+2ACN+2H"	84.067652
"1593288"	298.904128	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+K+HCOOH"	84.968628
"1417855"	328.935638	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+H+CF3COOH"	115.000138
"1154703"	169.514851	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+3ACN+2H"	125.094202
"1698786"	345.962185	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+NH4+CF3COOH"	132.026685
"1639906"	350.91758	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+Na+CF3COOH"	136.98208
"1574463"	366.89152	"C12832"	"346-Trichloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H5Cl3O2"	"213.9355"	"M+K+CF3COOH"	152.95602
"813578"	243.9097	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M"	0
"988934"	224.89131	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-H2O-H"	-19.01839
"74261"	161.599190666667	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M-3H"	-3.021828
"509449"	242.902424	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M-3H"	-3.021828
"885063"	80.2959573333333	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-3H"	-3.021828
"5824"	242.902424	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M-2H"	-2.014552
"449760"	364.857274	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M-2H"	-2.014552
"829749"	120.947574	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-2H"	-2.014552
"90856"	486.812124	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M-H"	-1.007276
"531868"	730.721824	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M-H"	-1.007276
"909182"	242.902424	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-H"	-1.007276
"60762"	503.838671	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M-2H+NH4"	16.019271
"501414"	747.748371	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M-2H+NH4"	16.019271
"878124"	259.928971	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-2H+NH4"	16.019271
"45416"	508.794066	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M-2H+Na"	20.974666
"484493"	752.703766	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M-2H+Na"	20.974666
"862535"	264.884366	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-2H+Na"	20.974666
"1629276"	264.884366	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Na-2H"	20.974666
"105803"	260.890763	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M-H+Cl"	33.962126
"547549"	382.845613	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M-H+Cl"	33.962126
"940699"	138.935913	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-H+Cl"	33.962126
"279257"	522.788802	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+Cl"	34.969402
"672043"	766.698502	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+Cl"	34.969402
"1285536"	278.879102	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Cl"	34.969402
"19344"	524.768006	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M-2H+K"	36.948606
"456837"	768.677706	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M-2H+K"	36.948606
"845462"	280.858306	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-2H+K"	36.948606
"1564573"	280.858306	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+K-2H"	36.948606
"946987"	288.907894	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-H+HCOOH"	44.998194
"366297"	532.817601	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+HCOOH-H"	44.998201
"350180"	546.833251	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+Hac-H"	59.013851
"1494271"	302.923551	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Hac-H"	59.013851
"958767"	310.889851	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-H+NaCOOH"	66.980151
"124944"	278.879102	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+2Cl"	69.938804
"561590"	400.833952	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+2Cl"	69.938804
"1028202"	156.924252	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2Cl"	69.938804
"1246686"	322.828585	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Br"	78.918885
"1308041"	324.884572	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Cl+HCOOH"	80.974872
"1323349"	346.866529	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Cl+NaCOOH"	102.956829
"915500"	356.895286	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M-H+CF3COOH"	112.985586
"1289655"	392.871964	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Cl+CF3COOH"	148.962264
"1373655"	208.897024	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H-2H2O"	-35.012676
"1387870"	226.907	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H-H2O"	-17.0027
"298017"	488.826676	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+H"	1.007276
"687276"	732.736376	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+H"	1.007276
"1359611"	244.916976	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H"	1.007276
"135786"	244.916976	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+2H"	2.014552
"576441"	366.871826	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+2H"	2.014552
"1046333"	122.962126	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2H"	2.014552
"213138"	163.613742666667	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+3H"	3.021828
"656348"	244.916976	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+3H"	3.021828
"1176662"	82.3105093333333	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+3H"	3.021828
"437746"	505.853223	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+NH4"	18.033823
"798017"	749.762923	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+NH4"	18.033823
"1694348"	261.943523	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+NH4"	18.033823
"338613"	253.4302495	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+H+NH4"	19.041099
"737235"	375.3850995	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+H+NH4"	19.041099
"1488138"	131.4753995	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H+NH4"	19.041099
"402443"	510.808618	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+Na"	22.989218
"763438"	754.718318	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+Na"	22.989218
"1610443"	266.898918	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Na"	22.989218
"327406"	255.907947	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+H+Na"	23.996494
"719099"	377.862797	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+H+Na"	23.996494
"1472918"	133.953097	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H+Na"	23.996494
"1063251"	89.6378233333333	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2H+Na"	25.00377
"1271489"	276.943186	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+CH3OH+H"	33.033486
"387876"	526.782558	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+K"	38.963158
"750696"	770.692258	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+K"	38.963158
"1553969"	282.872858	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+K"	38.963158
"314022"	263.894917	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+H+K"	39.970434
"706357"	385.849767	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+H+K"	39.970434
"1460546"	141.940067	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H+K"	39.970434
"250479"	529.853226	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+ACN+H"	42.033826
"1216749"	285.943526	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+ACN+H"	42.033826
"1202817"	143.475401	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+ACN+2H"	43.041102
"197878"	532.79056	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+2Na-H"	44.97116
"641448"	776.70026	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+2Na-H"	44.97116
"1140944"	288.88086	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2Na-H"	44.97116
"183144"	266.898918	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+2Na"	45.978436
"623804"	388.853768	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+2Na"	45.978436
"1128044"	144.944068	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2Na"	45.978436
"1413888"	96.9651373333333	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H+2Na"	46.985712
"1445228"	290.922446	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H+HCOOH"	47.012746
"235208"	271.93194	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+3H2O+2H"	56.04448
"1523923"	304.97449	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+IsoProp+H"	61.06479
"423685"	274.885888	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+Na+K"	61.952376
"785453"	396.840738	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+Na+K"	61.952376
"1679187"	152.931038	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Na+K"	61.952376
"266800"	551.835168	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+ACN+Na"	64.015768
"1240239"	307.925468	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+ACN+Na"	64.015768
"1727912"	307.948993	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+NH4+HCOOH"	64.039293
"1191927"	104.292451333333	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+3Na"	68.967654
"1664368"	312.904388	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Na+HCOOH"	68.994688
"162484"	564.73844	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+2K-H"	76.91904
"605326"	808.64814	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+2K-H"	76.91904
"1098963"	320.82874	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2K-H"	76.91904
"156264"	282.872858	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"2M+2K"	77.926316
"596430"	404.827708	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"3M+2K"	77.926316
"1083126"	160.918008	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2K"	77.926316
"1114635"	322.843292	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2K+H"	78.933592
"1346888"	322.930907	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+DMSO+H"	79.021207
"1017603"	326.970076	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2ACN+H"	83.060376
"1537794"	327.963708	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+IsoProp+Na+H"	84.054008
"996708"	163.988676	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+2ACN+2H"	84.067652
"1593398"	328.878328	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+K+HCOOH"	84.968628
"1417963"	358.909838	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+H+CF3COOH"	115.000138
"1154813"	184.501951	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+3ACN+2H"	125.094202
"1701082"	375.936385	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+NH4+CF3COOH"	132.026685
"1640016"	380.89178	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+Na+CF3COOH"	136.98208
"1572749"	396.86572	"C12833"	"235-Trichloro-ciscis-muconate"	"C6H3Cl3O4"	"243.9097"	"M+K+CF3COOH"	152.95602
"814781"	207.933	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M"	0
"985034"	188.91461	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-H2O-H"	-19.01839
"74370"	137.614724	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M-3H"	-3.021828
"508466"	206.925724	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M-3H"	-3.021828
"885173"	68.303724	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-3H"	-3.021828
"5934"	206.925724	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M-2H"	-2.014552
"448777"	310.892224	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M-2H"	-2.014552
"830952"	102.959224	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-2H"	-2.014552
"93028"	414.858724	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M-H"	-1.007276
"532339"	622.791724	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M-H"	-1.007276
"908318"	206.925724	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-H"	-1.007276
"61479"	431.885271	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M-2H+NH4"	16.019271
"502334"	639.818271	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M-2H+NH4"	16.019271
"878111"	223.952271	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-2H+NH4"	16.019271
"46337"	436.840666	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M-2H+Na"	20.974666
"485695"	644.773666	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M-2H+Na"	20.974666
"863659"	228.907666	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-2H+Na"	20.974666
"1629385"	228.907666	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Na-2H"	20.974666
"105913"	224.914063	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M-H+Cl"	33.962126
"548388"	328.880563	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M-H+Cl"	33.962126
"941538"	120.947563	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-H+Cl"	33.962126
"280821"	450.835402	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+Cl"	34.969402
"672883"	658.768402	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+Cl"	34.969402
"1282366"	242.902402	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Cl"	34.969402
"20547"	452.814606	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M-2H+K"	36.948606
"456825"	660.747606	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M-2H+K"	36.948606
"847030"	244.881606	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-2H+K"	36.948606
"1563590"	244.881606	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+K-2H"	36.948606
"947097"	252.931194	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-H+HCOOH"	44.998194
"365314"	460.864201	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+HCOOH-H"	44.998201
"350290"	474.879851	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+Hac-H"	59.013851
"1494381"	266.946851	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Hac-H"	59.013851
"958531"	274.913151	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-H+NaCOOH"	66.980151
"125055"	242.902402	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+2Cl"	69.938804
"561700"	346.868902	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+2Cl"	69.938804
"1029405"	138.935902	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2Cl"	69.938804
"1244971"	286.851885	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Br"	78.918885
"1308151"	288.907872	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Cl+HCOOH"	80.974872
"1321999"	310.889829	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Cl+NaCOOH"	102.956829
"914881"	320.918586	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M-H+CF3COOH"	112.985586
"1290490"	356.895264	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Cl+CF3COOH"	148.962264
"1372672"	172.920324	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H-2H2O"	-35.012676
"1387980"	190.9303	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H-H2O"	-17.0027
"298125"	416.873276	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+H"	1.007276
"688479"	624.806276	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+H"	1.007276
"1359721"	208.940276	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H"	1.007276
"135896"	208.940276	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+2H"	2.014552
"575822"	312.906776	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+2H"	2.014552
"1044256"	104.973776	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2H"	2.014552
"212155"	139.629276	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+3H"	3.021828
"657188"	208.940276	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+3H"	3.021828
"1172032"	70.318276	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+3H"	3.021828
"435670"	433.899823	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+NH4"	18.033823
"798848"	641.832823	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+NH4"	18.033823
"1694458"	225.966823	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+NH4"	18.033823
"337629"	217.4535495	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+H+NH4"	19.041099
"735519"	321.4200495	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+H+NH4"	19.041099
"1486060"	113.4870495	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H+NH4"	19.041099
"403646"	438.855218	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+Na"	22.989218
"763545"	646.788218	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+Na"	22.989218
"1610551"	230.922218	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Na"	22.989218
"324964"	219.931247	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+H+Na"	23.996494
"716291"	323.897747	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+H+Na"	23.996494
"1470112"	115.964747	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H+Na"	23.996494
"1064454"	77.64559	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2H+Na"	25.00377
"1271235"	240.966486	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+CH3OH+H"	33.033486
"389079"	454.829158	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+K"	38.963158
"748980"	662.762158	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+K"	38.963158
"1555047"	246.896158	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+K"	38.963158
"313843"	227.918217	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+H+K"	39.970434
"706102"	331.884717	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+H+K"	39.970434
"1460287"	123.951717	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H+K"	39.970434
"248887"	457.899826	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+ACN+H"	42.033826
"1217952"	249.966826	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+ACN+H"	42.033826
"1200011"	125.487051	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+ACN+2H"	43.041102
"197988"	460.83716	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+2Na-H"	44.97116
"640465"	668.77016	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+2Na-H"	44.97116
"1142147"	252.90416	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2Na-H"	44.97116
"182161"	230.922218	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+2Na"	45.978436
"623914"	334.888718	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+2Na"	45.978436
"1128517"	126.955718	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2Na"	45.978436
"1413718"	84.972904	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H+2Na"	46.985712
"1445420"	254.945746	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H+HCOOH"	47.012746
"235327"	235.95524	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+3H2O+2H"	56.04448
"1523910"	268.99779	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+IsoProp+H"	61.06479
"423428"	238.909188	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+Na+K"	61.952376
"785029"	342.875688	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+Na+K"	61.952376
"1680390"	134.942688	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Na+K"	61.952376
"266834"	479.881768	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+ACN+Na"	64.015768
"1240589"	271.948768	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+ACN+Na"	64.015768
"1727044"	271.972293	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+NH4+HCOOH"	64.039293
"1194071"	92.300218	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+3Na"	68.967654
"1664604"	276.927688	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Na+HCOOH"	68.994688
"171706"	492.78504	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+2K-H"	76.91904
"605436"	700.71804	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+2K-H"	76.91904
"1097135"	284.85204	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2K-H"	76.91904
"155889"	246.896158	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"2M+2K"	77.926316
"595450"	350.862658	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"3M+2K"	77.926316
"1083358"	142.929658	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2K"	77.926316
"1113651"	286.866592	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2K+H"	78.933592
"1349063"	286.954207	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+DMSO+H"	79.021207
"1018806"	290.993376	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2ACN+H"	83.060376
"1536932"	291.987008	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+IsoProp+Na+H"	84.054008
"995725"	146.000326	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+2ACN+2H"	84.067652
"1594601"	292.901628	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+K+HCOOH"	84.968628
"1416980"	322.933138	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+H+CF3COOH"	115.000138
"1151643"	166.513601	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+3ACN+2H"	125.094202
"1701192"	339.959685	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+NH4+CF3COOH"	132.026685
"1640126"	344.91508	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+Na+CF3COOH"	136.98208
"1573952"	360.88902	"C12834"	"25-Dichloro-carboxymethylenebut-2-en-4-olide"	"C6H2Cl2O4"	"207.933"	"M+K+CF3COOH"	152.95602
"813798"	225.9436	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M"	0
"985144"	206.92521	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-H2O-H"	-19.01839
"77397"	149.621790666667	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M-3H"	-3.021828
"511856"	224.936324	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M-3H"	-3.021828
"888564"	74.3072573333333	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-3H"	-3.021828
"6044"	224.936324	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M-2H"	-2.014552
"447793"	337.908124	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M-2H"	-2.014552
"828875"	111.964524	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-2H"	-2.014552
"91793"	450.879924	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M-H"	-1.007276
"532808"	676.823524	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M-H"	-1.007276
"908428"	224.936324	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-H"	-1.007276
"59887"	467.906471	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M-2H+NH4"	16.019271
"502359"	693.850071	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M-2H+NH4"	16.019271
"877615"	241.962871	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-2H+NH4"	16.019271
"44418"	472.861866	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M-2H+Na"	20.974666
"484342"	698.805466	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M-2H+Na"	20.974666
"862511"	246.918266	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-2H+Na"	20.974666
"1631682"	246.918266	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Na-2H"	20.974666
"108208"	242.924663	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M-H+Cl"	33.962126
"549228"	355.896463	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M-H+Cl"	33.962126
"938002"	129.952863	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-H+Cl"	33.962126
"281660"	486.856602	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+Cl"	34.969402
"672628"	712.800202	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+Cl"	34.969402
"1282476"	260.913002	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Cl"	34.969402
"20657"	488.835806	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M-2H+K"	36.948606
"456935"	714.779406	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M-2H+K"	36.948606
"846411"	262.892206	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-2H+K"	36.948606
"1566980"	262.892206	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+K-2H"	36.948606
"947208"	270.941794	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-H+HCOOH"	44.998194
"371986"	496.885401	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+HCOOH-H"	44.998201
"353680"	510.901051	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+Hac-H"	59.013851
"1495220"	284.957451	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Hac-H"	59.013851
"958870"	292.923751	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-H+NaCOOH"	66.980151
"123339"	260.913002	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+2Cl"	69.938804
"562539"	373.884802	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+2Cl"	69.938804
"1029515"	147.941202	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2Cl"	69.938804
"1244717"	304.862485	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Br"	78.918885
"1306437"	306.918472	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Cl+HCOOH"	80.974872
"1321745"	328.900429	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Cl+NaCOOH"	102.956829
"914991"	338.929186	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M-H+CF3COOH"	112.985586
"1289183"	374.905864	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Cl+CF3COOH"	148.962264
"1373875"	190.930924	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H-2H2O"	-35.012676
"1388090"	208.9409	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H-H2O"	-17.0027
"296778"	452.894476	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+H"	1.007276
"687496"	678.838076	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+H"	1.007276
"1359831"	226.950876	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H"	1.007276
"138923"	226.950876	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+2H"	2.014552
"577755"	339.922676	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+2H"	2.014552
"1044366"	113.979076	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2H"	2.014552
"217369"	151.636342666667	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+3H"	3.021828
"656205"	226.950876	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+3H"	3.021828
"1176518"	76.3218093333333	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+3H"	3.021828
"436509"	469.921023	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+NH4"	18.033823
"799688"	695.864623	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+NH4"	18.033823
"1696025"	243.977423	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+NH4"	18.033823
"344913"	235.4641495	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+H+NH4"	19.041099
"737819"	348.4359495	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+H+NH4"	19.041099
"1491275"	122.4923495	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H+NH4"	19.041099
"400477"	474.876418	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+Na"	22.989218
"760379"	700.820018	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+Na"	22.989218
"1611756"	248.932818	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Na"	22.989218
"327992"	237.941847	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+H+Na"	23.996494
"718226"	350.913647	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+H+Na"	23.996494
"1470221"	124.970047	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H+Na"	23.996494
"1064563"	83.6491233333333	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2H+Na"	25.00377
"1271712"	258.977086	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+CH3OH+H"	33.033486
"387003"	490.850358	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+K"	38.963158
"749090"	716.793958	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+K"	38.963158
"1554793"	264.906758	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+K"	38.963158
"312696"	245.928817	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+H+K"	39.970434
"706578"	358.900617	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+H+K"	39.970434
"1454565"	132.957017	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H+K"	39.970434
"247904"	493.921026	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+ACN+H"	42.033826
"1216969"	267.977426	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+ACN+H"	42.033826
"1204862"	134.492351	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+ACN+2H"	43.041102
"200653"	496.85836	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+2Na-H"	44.97116
"640942"	722.80196	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+2Na-H"	44.97116
"1139707"	270.91476	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2Na-H"	44.97116
"183365"	248.932818	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+2Na"	45.978436
"625482"	361.904618	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+2Na"	45.978436
"1130088"	135.961018	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2Na"	45.978436
"1413910"	90.9764373333333	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H+2Na"	46.985712
"1444272"	272.956346	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H+HCOOH"	47.012746
"235307"	253.96584	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+3H2O+2H"	56.04448
"1523653"	287.00839	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+IsoProp+H"	61.06479
"423660"	256.919788	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+Na+K"	61.952376
"784532"	369.891588	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+Na+K"	61.952376
"1680746"	143.947988	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Na+K"	61.952376
"266742"	515.902968	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+ACN+Na"	64.015768
"1240701"	289.959368	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+ACN+Na"	64.015768
"1726425"	289.982893	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+NH4+HCOOH"	64.039293
"1193817"	98.3037513333333	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+3Na"	68.967654
"1665320"	294.938288	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Na+HCOOH"	68.994688
"170358"	528.80624	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+2K-H"	76.91904
"609920"	754.74984	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+2K-H"	76.91904
"1097245"	302.86264	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2K-H"	76.91904
"156606"	264.906758	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"2M+2K"	77.926316
"595684"	377.878558	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"3M+2K"	77.926316
"1083833"	151.934958	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2K"	77.926316
"1112910"	304.877192	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2K+H"	78.933592
"1349184"	304.964807	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+DMSO+H"	79.021207
"1020742"	309.003976	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2ACN+H"	83.060376
"1535949"	309.997608	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+IsoProp+Na+H"	84.054008
"1002397"	155.005626	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+2ACN+2H"	84.067652
"1596898"	310.912228	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+K+HCOOH"	84.968628
"1419276"	340.943738	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+H+CF3COOH"	115.000138
"1151752"	175.518901	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+3ACN+2H"	125.094202
"1702395"	357.970285	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+NH4+CF3COOH"	132.026685
"1640236"	362.92568	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+Na+CF3COOH"	136.98208
"1572970"	378.89962	"C12835"	"25-Dichloro-4-oxohex-2-enedioate"	"C6H4Cl2O5"	"225.9436"	"M+K+CF3COOH"	152.95602
"811721"	193.9982	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M"	0
"985254"	174.97981	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-H2O-H"	-19.01839
"76778"	128.324857333333	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M-3H"	-3.021828
"506498"	192.990924	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M-3H"	-3.021828
"889767"	63.6587906666667	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-3H"	-3.021828
"2874"	192.990924	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M-2H"	-2.014552
"447903"	289.990024	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M-2H"	-2.014552
"825705"	95.991824	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-2H"	-2.014552
"91539"	386.989124	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M-H"	-1.007276
"529639"	580.987324	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M-H"	-1.007276
"908175"	192.990924	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-H"	-1.007276
"59629"	404.015671	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M-2H+NH4"	16.019271
"494814"	598.013871	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M-2H+NH4"	16.019271
"869334"	210.017471	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-2H+NH4"	16.019271
"41610"	408.971066	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M-2H+Na"	20.974666
"480078"	602.969266	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M-2H+Na"	20.974666
"860068"	214.972866	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-2H+Na"	20.974666
"1629605"	214.972866	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Na-2H"	20.974666
"107226"	210.979263	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M-H+Cl"	33.962126
"547879"	307.978363	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M-H+Cl"	33.962126
"940299"	113.980163	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-H+Cl"	33.962126
"280681"	422.965802	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+Cl"	34.969402
"672372"	616.964002	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+Cl"	34.969402
"1282586"	228.967602	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Cl"	34.969402
"20767"	424.945006	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M-2H+K"	36.948606
"455757"	618.943206	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M-2H+K"	36.948606
"846884"	230.946806	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-2H+K"	36.948606
"1567090"	230.946806	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+K-2H"	36.948606
"949504"	238.996394	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-H+HCOOH"	44.998194
"372096"	432.994601	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+HCOOH-H"	44.998201
"352697"	447.010251	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+Hac-H"	59.013851
"1495329"	253.012051	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Hac-H"	59.013851
"959224"	260.978351	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-H+NaCOOH"	66.980151
"123449"	228.967602	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+2Cl"	69.938804
"556449"	325.966702	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+2Cl"	69.938804
"1029625"	131.968502	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2Cl"	69.938804
"1243734"	272.917085	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Br"	78.918885
"1308369"	274.973072	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Cl+HCOOH"	80.974872
"1323677"	296.955029	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Cl+NaCOOH"	102.956829
"915830"	306.983786	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M-H+CF3COOH"	112.985586
"1289254"	342.960464	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Cl+CF3COOH"	148.962264
"1373984"	158.985524	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H-2H2O"	-35.012676
"1387107"	176.9955	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H-H2O"	-17.0027
"298103"	389.003676	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+H"	1.007276
"688335"	583.001876	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+H"	1.007276
"1359941"	195.005476	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H"	1.007276
"139033"	195.005476	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+2H"	2.014552
"577865"	292.004576	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+2H"	2.014552
"1048485"	98.006376	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2H"	2.014552
"215291"	130.339409333333	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+3H"	3.021828
"657044"	195.005476	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+3H"	3.021828
"1172250"	65.6733426666667	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+3H"	3.021828
"436982"	406.030223	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+NH4"	18.033823
"799434"	600.028423	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+NH4"	18.033823
"1694923"	212.032023	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+NH4"	18.033823
"342954"	203.5187495	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+H+NH4"	19.041099
"733556"	300.5178495	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+H+NH4"	19.041099
"1490291"	106.5196495	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H+NH4"	19.041099
"397307"	410.985618	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+Na"	22.989218
"761582"	604.983818	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+Na"	22.989218
"1611867"	216.987418	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Na"	22.989218
"325916"	205.996447	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+H+Na"	23.996494
"717608"	302.995547	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+H+Na"	23.996494
"1467052"	108.997347	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H+Na"	23.996494
"1064674"	73.0006566666667	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2H+Na"	25.00377
"1271822"	227.031686	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+CH3OH+H"	33.033486
"386749"	426.959558	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+K"	38.963158
"748472"	620.957758	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+K"	38.963158
"1554538"	232.961358	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+K"	38.963158
"312442"	213.983417	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+H+K"	39.970434
"706566"	310.982517	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+H+K"	39.970434
"1454675"	116.984317	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H+K"	39.970434
"249107"	430.030226	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+ACN+H"	42.033826
"1218171"	236.032026	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+ACN+H"	42.033826
"1198774"	118.519651	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+ACN+2H"	43.041102
"199301"	432.96756	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+2Na-H"	44.97116
"642022"	626.96576	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+2Na-H"	44.97116
"1136900"	238.96936	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2Na-H"	44.97116
"182382"	216.987418	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+2Na"	45.978436
"625592"	313.986518	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+2Na"	45.978436
"1129957"	119.988318	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2Na"	45.978436
"1413860"	80.3279706666667	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H+2Na"	46.985712
"1444868"	241.010946	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H+HCOOH"	47.012746
"235498"	222.02044	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+3H2O+2H"	56.04448
"1523598"	255.06299	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+IsoProp+H"	61.06479
"423284"	224.974388	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+Na+K"	61.952376
"785516"	321.973488	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+Na+K"	61.952376
"1680984"	127.975288	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Na+K"	61.952376
"267010"	452.012168	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+ACN+Na"	64.015768
"1239108"	258.013968	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+ACN+Na"	64.015768
"1722887"	258.037493	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+NH4+HCOOH"	64.039293
"1193471"	87.6552846666667	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+3Na"	68.967654
"1665187"	262.992888	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Na+HCOOH"	68.994688
"170468"	464.91544	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+2K-H"	76.91904
"610759"	658.91364	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+2K-H"	76.91904
"1099417"	270.91724	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2K-H"	76.91904
"157042"	232.961358	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"2M+2K"	77.926316
"596034"	329.960458	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"3M+2K"	77.926316
"1083821"	135.962258	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2K"	77.926316
"1113020"	272.931792	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2K+H"	78.933592
"1350142"	273.019407	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+DMSO+H"	79.021207
"1020731"	277.058576	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2ACN+H"	83.060376
"1536059"	278.052208	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+IsoProp+Na+H"	84.054008
"1001414"	139.032926	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+2ACN+2H"	84.067652
"1597008"	278.966828	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+K+HCOOH"	84.968628
"1419386"	308.998338	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+H+CF3COOH"	115.000138
"1152955"	159.546201	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+3ACN+2H"	125.094202
"1702505"	326.024885	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+NH4+CF3COOH"	132.026685
"1640346"	330.98028	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+Na+CF3COOH"	136.98208
"1573444"	346.95422	"C12836"	"2-Chloro-3-oxoadipate"	"C6H7ClO5"	"193.9982"	"M+K+CF3COOH"	152.95602
"810738"	146.0135	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M"	0
"985364"	126.99511	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-H2O-H"	-19.01839
"76888"	96.3350573333333	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M-3H"	-3.021828
"506608"	145.006224	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M-3H"	-3.021828
"889877"	47.6638906666667	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-3H"	-3.021828
"4077"	145.006224	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M-2H"	-2.014552
"445826"	218.012974	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M-2H"	-2.014552
"822535"	71.999474	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-2H"	-2.014552
"89098"	291.019724	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M-H"	-1.007276
"528654"	437.033224	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M-H"	-1.007276
"907192"	145.006224	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-H"	-1.007276
"56460"	308.046271	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M-2H+NH4"	16.019271
"494924"	454.059771	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M-2H+NH4"	16.019271
"867258"	162.032771	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-2H+NH4"	16.019271
"38440"	313.001666	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M-2H+Na"	20.974666
"476908"	459.015166	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M-2H+Na"	20.974666
"854710"	166.988166	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-2H+Na"	20.974666
"1629715"	166.988166	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Na-2H"	20.974666
"108064"	162.994563	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M-H+Cl"	33.962126
"547626"	236.001313	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M-H+Cl"	33.962126
"940409"	89.987813	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-H+Cl"	33.962126
"276778"	326.996402	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+Cl"	34.969402
"671389"	473.009902	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+Cl"	34.969402
"1282696"	180.982902	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Cl"	34.969402
"20877"	328.975606	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M-2H+K"	36.948606
"455754"	474.989106	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M-2H+K"	36.948606
"846994"	182.962106	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-2H+K"	36.948606
"1567200"	182.962106	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+K-2H"	36.948606
"949614"	191.011694	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-H+HCOOH"	44.998194
"372206"	337.025201	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+HCOOH-H"	44.998201
"352807"	351.040851	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+Hac-H"	59.013851
"1495076"	205.027351	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Hac-H"	59.013851
"959576"	212.993651	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-H+NaCOOH"	66.980151
"120279"	180.982902	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+2Cl"	69.938804
"554373"	253.989652	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+2Cl"	69.938804
"1029735"	107.976152	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2Cl"	69.938804
"1242385"	224.932385	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Br"	78.918885
"1305564"	226.988372	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Cl+HCOOH"	80.974872
"1322694"	248.970329	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Cl+NaCOOH"	102.956829
"912049"	258.999086	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M-H+CF3COOH"	112.985586
"1289363"	294.975764	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Cl+CF3COOH"	148.962264
"1370814"	111.000824	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H-2H2O"	-35.012676
"1386124"	129.0108	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H-H2O"	-17.0027
"295296"	293.034276	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+H"	1.007276
"688081"	439.047776	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+H"	1.007276
"1360051"	147.020776	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H"	1.007276
"135131"	147.020776	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+2H"	2.014552
"574693"	220.027526	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+2H"	2.014552
"1047136"	74.014026	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2H"	2.014552
"215765"	98.3496093333333	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+3H"	3.021828
"655329"	147.020776	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+3H"	3.021828
"1169079"	49.6784426666667	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+3H"	3.021828
"434538"	310.060823	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+NH4"	18.033823
"794438"	456.074323	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+NH4"	18.033823
"1688581"	164.047323	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+NH4"	18.033823
"344156"	155.5340495	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+H+NH4"	19.041099
"734759"	228.5407995	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+H+NH4"	19.041099
"1485298"	82.5272995	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H+NH4"	19.041099
"397417"	315.016218	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+Na"	22.989218
"761690"	461.029718	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+Na"	22.989218
"1610883"	169.002718	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Na"	22.989218
"326026"	158.011747	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+H+Na"	23.996494
"717718"	231.018497	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+H+Na"	23.996494
"1468255"	85.004997	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H+Na"	23.996494
"1064419"	57.0057566666667	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2H+Na"	25.00377
"1268284"	179.046986	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+CH3OH+H"	33.033486
"387588"	330.990158	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+K"	38.963158
"749310"	477.003658	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+K"	38.963158
"1554531"	184.976658	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+K"	38.963158
"312919"	165.998717	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+H+K"	39.970434
"706478"	239.005467	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+H+K"	39.970434
"1458794"	92.991967	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H+K"	39.970434
"250681"	334.060826	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+ACN+H"	42.033826
"1217186"	188.047326	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+ACN+H"	42.033826
"1202164"	94.527301	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+ACN+2H"	43.041102
"198317"	336.99816	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+2Na-H"	44.97116
"641158"	483.01166	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+2Na-H"	44.97116
"1135917"	190.98466	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2Na-H"	44.97116
"181400"	169.002718	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+2Na"	45.978436
"620960"	242.009468	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+2Na"	45.978436
"1129703"	95.995968	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2Na"	45.978436
"1412616"	64.3330706666667	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H+2Na"	46.985712
"1441570"	193.026246	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H+HCOOH"	47.012746
"235527"	174.03574	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+3H2O+2H"	56.04448
"1523708"	207.07829	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+IsoProp+H"	61.06479
"423394"	176.989688	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+Na+K"	61.952376
"784753"	249.996438	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+Na+K"	61.952376
"1680722"	103.982938	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Na+K"	61.952376
"266027"	356.042768	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+ACN+Na"	64.015768
"1239218"	210.029268	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+ACN+Na"	64.015768
"1725184"	210.052793	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+NH4+HCOOH"	64.039293
"1192609"	71.6603846666667	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+3Na"	68.967654
"1663595"	215.008188	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Na+HCOOH"	68.994688
"171427"	368.94604	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+2K-H"	76.91904
"611233"	514.95954	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+2K-H"	76.91904
"1098920"	222.93254	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2K-H"	76.91904
"156578"	184.976658	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"2M+2K"	77.926316
"595413"	257.983408	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"3M+2K"	77.926316
"1081015"	111.969908	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2K"	77.926316
"1109850"	224.947092	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2K+H"	78.933592
"1349159"	225.034707	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+DMSO+H"	79.021207
"1018047"	229.073876	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2ACN+H"	83.060376
"1536169"	230.067508	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+IsoProp+Na+H"	84.054008
"1002617"	115.040576	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+2ACN+2H"	84.067652
"1597118"	230.982128	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+K+HCOOH"	84.968628
"1418403"	261.013638	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+H+CF3COOH"	115.000138
"1151972"	135.553851	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+3ACN+2H"	125.094202
"1701522"	278.040185	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+NH4+CF3COOH"	132.026685
"1640456"	282.99558	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+Na+CF3COOH"	136.98208
"1572097"	298.96952	"C12837"	"3-Chloro-cis-12-dihydroxycyclohexa-35-diene"	"C6H7ClO2"	"146.0135"	"M+K+CF3COOH"	152.95602
"811941"	140.011	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M"	0
"985474"	120.99261	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H2O-H"	-19.01839
"73718"	92.3333906666667	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-3H"	-3.021828
"506718"	139.003724	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-3H"	-3.021828
"889987"	45.6630573333333	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-3H"	-3.021828
"3094"	139.003724	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H"	-2.014552
"445936"	209.009224	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H"	-2.014552
"825925"	68.998224	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H"	-2.014552
"87016"	279.014724	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-H"	-1.007276
"529857"	419.025724	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-H"	-1.007276
"907666"	139.003724	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H"	-1.007276
"58392"	296.041271	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H+NH4"	16.019271
"495034"	436.052271	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H+NH4"	16.019271
"868461"	156.030271	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H+NH4"	16.019271
"38550"	300.996666	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H+Na"	20.974666
"477018"	441.007666	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H+Na"	20.974666
"854820"	160.985666	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H+Na"	20.974666
"1631283"	160.985666	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na-2H"	20.974666
"108538"	156.992063	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-H+Cl"	33.962126
"548347"	226.997563	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-H+Cl"	33.962126
"938332"	86.986563	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+Cl"	33.962126
"276888"	314.991402	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Cl"	34.969402
"671499"	455.002402	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+Cl"	34.969402
"1282806"	174.980402	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl"	34.969402
"20987"	316.970606	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M-2H+K"	36.948606
"456409"	456.981606	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M-2H+K"	36.948606
"847348"	176.959606	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-2H+K"	36.948606
"1567310"	176.959606	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K-2H"	36.948606
"947537"	185.009194	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+HCOOH"	44.998194
"372316"	325.020201	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+HCOOH-H"	44.998201
"351823"	339.035851	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Hac-H"	59.013851
"1495185"	199.024851	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Hac-H"	59.013851
"961994"	206.991151	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+NaCOOH"	66.980151
"120389"	174.980402	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2Cl"	69.938804
"555576"	244.985902	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2Cl"	69.938804
"1029845"	104.974902	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2Cl"	69.938804
"1242131"	218.929885	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Br"	78.918885
"1306402"	220.985872	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl+HCOOH"	80.974872
"1321710"	242.967829	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl+NaCOOH"	102.956829
"911589"	252.996586	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M-H+CF3COOH"	112.985586
"1289474"	288.973264	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Cl+CF3COOH"	148.962264
"1370924"	104.998324	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H-2H2O"	-35.012676
"1385501"	123.0083	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H-H2O"	-17.0027
"296131"	281.029276	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H"	1.007276
"689645"	421.040276	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H"	1.007276
"1360161"	141.018276	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H"	1.007276
"133784"	141.018276	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2H"	2.014552
"571522"	211.023776	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2H"	2.014552
"1044330"	71.012776	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2H"	2.014552
"210407"	94.3479426666667	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+3H"	3.021828
"646687"	141.018276	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+3H"	3.021828
"1165905"	47.6776093333333	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+3H"	3.021828
"426991"	298.055823	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+NH4"	18.033823
"791264"	438.066823	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+NH4"	18.033823
"1685405"	158.044823	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+NH4"	18.033823
"336970"	149.5315495	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H+NH4"	19.041099
"735591"	219.5370495	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H+NH4"	19.041099
"1487593"	79.5260495	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+NH4"	19.041099
"400806"	303.011218	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Na"	22.989218
"762893"	443.022218	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+Na"	22.989218
"1610992"	163.000218	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na"	22.989218
"327471"	152.009247	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H+Na"	23.996494
"716732"	222.014747	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H+Na"	23.996494
"1468365"	82.003747	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+Na"	23.996494
"1062704"	55.0049233333333	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2H+Na"	25.00377
"1269851"	173.044486	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+CH3OH+H"	33.033486
"385146"	318.985158	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+K"	38.963158
"745044"	458.996158	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+K"	38.963158
"1554758"	178.974158	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K"	38.963158
"313027"	159.996217	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+H+K"	39.970434
"703261"	230.001717	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+H+K"	39.970434
"1457081"	89.990717	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+K"	39.970434
"250055"	322.055826	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+ACN+H"	42.033826
"1214017"	182.044826	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+ACN+H"	42.033826
"1202274"	91.526051	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+ACN+2H"	43.041102
"196241"	324.99316	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2Na-H"	44.97116
"639082"	465.00416	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2Na-H"	44.97116
"1136027"	184.98216	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2Na-H"	44.97116
"180417"	163.000218	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2Na"	45.978436
"621070"	233.005718	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2Na"	45.978436
"1124578"	92.994718	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2Na"	45.978436
"1412727"	62.3322373333333	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+2Na"	46.985712
"1442044"	187.023746	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+HCOOH"	47.012746
"234054"	168.03324	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+3H2O+2H"	56.04448
"1522360"	201.07579	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+IsoProp+H"	61.06479
"421677"	170.987188	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+Na+K"	61.952376
"783402"	240.992688	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+Na+K"	61.952376
"1680713"	100.981688	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na+K"	61.952376
"264795"	344.037768	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+ACN+Na"	64.015768
"1235315"	204.026768	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+ACN+Na"	64.015768
"1716547"	204.050293	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+NH4+HCOOH"	64.039293
"1192837"	69.6595513333333	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+3Na"	68.967654
"1665287"	209.005688	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na+HCOOH"	68.994688
"171780"	356.94104	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2K-H"	76.91904
"603683"	496.95204	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2K-H"	76.91904
"1098906"	216.93004	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2K-H"	76.91904
"155964"	178.974158	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"2M+2K"	77.926316
"595524"	248.979658	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"3M+2K"	77.926316
"1082947"	108.968658	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2K"	77.926316
"1113605"	218.944592	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2K+H"	78.933592
"1349268"	219.032207	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+DMSO+H"	79.021207
"1018886"	223.071376	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2ACN+H"	83.060376
"1537372"	224.065008	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+IsoProp+Na+H"	84.054008
"1002727"	112.039326	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+2ACN+2H"	84.067652
"1597228"	224.979628	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K+HCOOH"	84.968628
"1417420"	255.011138	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+H+CF3COOH"	115.000138
"1150989"	132.552601	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+3ACN+2H"	125.094202
"1699446"	272.037685	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+NH4+CF3COOH"	132.026685
"1640566"	276.99308	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+Na+CF3COOH"	136.98208
"1571843"	292.96702	"C12838"	"trans-4-Carboxymethylenebut-2-en-4-olide"	"C6H4O4"	"140.011"	"M+K+CF3COOH"	152.95602
"812051"	202.0719	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M"	0
"985584"	183.05351	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-H2O-H"	-19.01839
"71641"	133.707324	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M-3H"	-3.021828
"506828"	201.064624	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M-3H"	-3.021828
"885723"	66.350024	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-3H"	-3.021828
"4297"	201.064624	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M-2H"	-2.014552
"444952"	302.100574	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M-2H"	-2.014552
"823848"	100.028674	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-2H"	-2.014552
"87126"	403.136524	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M-H"	-1.007276
"529967"	605.208424	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M-H"	-1.007276
"905585"	201.064624	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-H"	-1.007276
"58865"	420.163071	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M-2H+NH4"	16.019271
"490769"	622.234971	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M-2H+NH4"	16.019271
"869664"	218.091171	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-2H+NH4"	16.019271
"38657"	425.118466	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M-2H+Na"	20.974666
"476391"	627.190366	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M-2H+Na"	20.974666
"852742"	223.046566	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-2H+Na"	20.974666
"1633092"	223.046566	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Na-2H"	20.974666
"108648"	219.052963	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M-H+Cl"	33.962126
"543834"	320.088913	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M-H+Cl"	33.962126
"936255"	118.017013	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-H+Cl"	33.962126
"275904"	439.113202	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+Cl"	34.969402
"669421"	641.185102	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+Cl"	34.969402
"1277449"	237.041302	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Cl"	34.969402
"17571"	441.092406	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M-2H+K"	36.948606
"457129"	643.164306	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M-2H+K"	36.948606
"845027"	239.020506	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-2H+K"	36.948606
"1567420"	239.020506	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+K-2H"	36.948606
"946189"	247.070094	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-H+HCOOH"	44.998194
"369146"	449.142001	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+HCOOH-H"	44.998201
"351204"	463.157651	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+Hac-H"	59.013851
"1495659"	261.085751	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Hac-H"	59.013851
"960283"	269.052051	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-H+NaCOOH"	66.980151
"122687"	237.041302	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+2Cl"	69.938804
"562248"	338.077252	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+2Cl"	69.938804
"1025216"	136.005352	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2Cl"	69.938804
"1242241"	280.990785	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Br"	78.918885
"1306512"	283.046772	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Cl+HCOOH"	80.974872
"1324008"	305.028729	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Cl+NaCOOH"	102.956829
"913608"	315.057486	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M-H+CF3COOH"	112.985586
"1290315"	351.034164	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Cl+CF3COOH"	148.962264
"1369941"	167.059224	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H-2H2O"	-35.012676
"1385247"	185.0692	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H-H2O"	-17.0027
"295148"	405.151076	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+H"	1.007276
"689391"	607.222976	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+H"	1.007276
"1364282"	203.079176	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H"	1.007276
"132072"	203.079176	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+2H"	2.014552
"571632"	304.115126	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+2H"	2.014552
"1044804"	102.043226	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2H"	2.014552
"211610"	135.721876	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+3H"	3.021828
"646068"	203.079176	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+3H"	3.021828
"1166016"	68.364576	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+3H"	3.021828
"429288"	422.177623	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+NH4"	18.033823
"790281"	624.249523	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+NH4"	18.033823
"1684056"	220.105723	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+NH4"	18.033823
"333800"	211.5924495	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+H+NH4"	19.041099
"735701"	312.6283995	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+H+NH4"	19.041099
"1484419"	110.5564995	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H+NH4"	19.041099
"405289"	427.133018	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+Na"	22.989218
"763005"	629.204918	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+Na"	22.989218
"1611102"	225.061118	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Na"	22.989218
"324422"	214.070147	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+H+Na"	23.996494
"717935"	315.106097	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+H+Na"	23.996494
"1475037"	113.034197	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H+Na"	23.996494
"1067879"	75.69189	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2H+Na"	25.00377
"1269961"	235.105386	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+CH3OH+H"	33.033486
"389630"	443.106958	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+K"	38.963158
"749530"	645.178858	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+K"	38.963158
"1554996"	241.035058	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+K"	38.963158
"313500"	222.057117	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+H+K"	39.970434
"706945"	323.093067	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+H+K"	39.970434
"1457191"	121.021167	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H+K"	39.970434
"250165"	446.177626	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+ACN+H"	42.033826
"1214128"	244.105726	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+ACN+H"	42.033826
"1202384"	122.556501	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+ACN+2H"	43.041102
"199633"	449.11496	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+2Na-H"	44.97116
"638099"	651.18686	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+2Na-H"	44.97116
"1136137"	247.04306	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2Na-H"	44.97116
"177238"	225.061118	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+2Na"	45.978436
"618989"	326.097068	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+2Na"	45.978436
"1123595"	124.025168	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2Na"	45.978436
"1411865"	83.019204	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H+2Na"	46.985712
"1442518"	249.084646	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H+HCOOH"	47.012746
"232218"	230.09414	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+3H2O+2H"	56.04448
"1521009"	263.13669	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+IsoProp+H"	61.06479
"421061"	233.048088	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+Na+K"	61.952376
"780957"	334.084038	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+Na+K"	61.952376
"1675102"	132.012138	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Na+K"	61.952376
"256155"	468.159568	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+ACN+Na"	64.015768
"1233236"	266.087668	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+ACN+Na"	64.015768
"1724308"	266.111193	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+NH4+HCOOH"	64.039293
"1191491"	90.346518	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+3Na"	68.967654
"1665153"	271.066588	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Na+HCOOH"	68.994688
"171283"	481.06284	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+2K-H"	76.91904
"603793"	683.13474	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+2K-H"	76.91904
"1099135"	278.99094	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2K-H"	76.91904
"156438"	241.035058	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"2M+2K"	77.926316
"594539"	342.071008	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"3M+2K"	77.926316
"1082692"	139.999108	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2K"	77.926316
"1113349"	281.005492	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2K+H"	78.933592
"1349008"	281.093107	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+DMSO+H"	79.021207
"1017902"	285.132276	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2ACN+H"	83.060376
"1537847"	286.125908	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+IsoProp+Na+H"	84.054008
"1003566"	143.069776	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+2ACN+2H"	84.067652
"1597338"	287.040528	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+K+HCOOH"	84.968628
"1417529"	317.072038	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+H+CF3COOH"	115.000138
"1150005"	163.583051	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+3ACN+2H"	125.094202
"1699556"	334.098585	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+NH4+CF3COOH"	132.026685
"1640676"	339.05398	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+Na+CF3COOH"	136.98208
"1572317"	355.02792	"C12839"	"Piperazine phosphate"	"H3PO4C4H10N2H2O"	"202.0719"	"M+K+CF3COOH"	152.95602
"814348"	253.1063	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M"	0
"987881"	234.08791	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-H2O-H"	-19.01839
"75031"	167.730257333333	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M-3H"	-3.021828
"508031"	252.099024	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M-3H"	-3.021828
"885833"	83.3614906666667	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-3H"	-3.021828
"3314"	252.099024	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M-2H"	-2.014552
"446155"	378.652174	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M-2H"	-2.014552
"823958"	125.545874	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-2H"	-2.014552
"87233"	505.205324	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M-H"	-1.007276
"530077"	758.311624	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M-H"	-1.007276
"907882"	252.099024	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-H"	-1.007276
"60068"	522.231871	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M-2H+NH4"	16.019271
"497437"	775.338171	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M-2H+NH4"	16.019271
"874146"	269.125571	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-2H+NH4"	16.019271
"39858"	527.187266	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M-2H+Na"	20.974666
"478324"	780.293566	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M-2H+Na"	20.974666
"855034"	274.080966	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-2H+Na"	20.974666
"1633085"	274.080966	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Na-2H"	20.974666
"109731"	270.087363	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M-H+Cl"	33.962126
"548317"	396.640513	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M-H+Cl"	33.962126
"937458"	143.534213	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-H+Cl"	33.962126
"273827"	541.182002	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+Cl"	34.969402
"671718"	794.288302	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+Cl"	34.969402
"1277559"	288.075702	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Cl"	34.969402
"17561"	543.161206	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M-2H+K"	36.948606
"456268"	796.267506	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M-2H+K"	36.948606
"845137"	290.054906	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-2H+K"	36.948606
"1563156"	290.054906	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+K-2H"	36.948606
"947757"	298.104494	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-H+HCOOH"	44.998194
"369256"	551.210801	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+HCOOH-H"	44.998201
"353136"	565.226451	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+Hac-H"	59.013851
"1495039"	312.120151	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Hac-H"	59.013851
"960756"	320.086451	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-H+NaCOOH"	66.980151
"123889"	288.075702	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+2Cl"	69.938804
"562359"	414.628852	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+2Cl"	69.938804
"1026783"	161.522552	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2Cl"	69.938804
"1247090"	332.025185	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Br"	78.918885
"1307715"	334.081172	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Cl+HCOOH"	80.974872
"1323754"	356.063129	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Cl+NaCOOH"	102.956829
"912989"	366.091886	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M-H+CF3COOH"	112.985586
"1288966"	402.068564	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Cl+CF3COOH"	148.962264
"1379527"	218.093624	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H-2H2O"	-35.012676
"1386450"	236.1036	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H-H2O"	-17.0027
"296719"	507.219876	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+H"	1.007276
"688776"	760.326176	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+H"	1.007276
"1366705"	254.113576	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H"	1.007276
"135462"	254.113576	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+2H"	2.014552
"573929"	380.666726	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+2H"	2.014552
"1046008"	127.560426	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2H"	2.014552
"211721"	169.744809333333	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+3H"	3.021828
"648000"	254.113576	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+3H"	3.021828
"1167220"	85.3760426666667	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+3H"	3.021828
"429399"	524.246423	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+NH4"	18.033823
"792577"	777.352723	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+NH4"	18.033823
"1683439"	271.140123	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+NH4"	18.033823
"333906"	262.6268495	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+H+NH4"	19.041099
"730704"	389.1799995	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+H+NH4"	19.041099
"1483433"	136.0736995	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H+NH4"	19.041099
"398833"	529.201818	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+Na"	22.989218
"756913"	782.308118	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+Na"	22.989218
"1607926"	276.095518	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Na"	22.989218
"323436"	265.104547	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+H+Na"	23.996494
"716949"	391.657697	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+H+Na"	23.996494
"1474054"	138.551397	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H+Na"	23.996494
"1067988"	92.7033566666667	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2H+Na"	25.00377
"1270071"	286.139786	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+CH3OH+H"	33.033486
"386459"	545.175758	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+K"	38.963158
"751828"	798.282058	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+K"	38.963158
"1554248"	292.069458	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+K"	38.963158
"307776"	273.091517	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+H+K"	39.970434
"706955"	399.644667	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+H+K"	39.970434
"1456208"	146.538367	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H+K"	39.970434
"248454"	548.246426	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+ACN+H"	42.033826
"1218613"	295.140126	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+ACN+H"	42.033826
"1202496"	148.073701	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+ACN+2H"	43.041102
"201932"	551.18376	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+2Na-H"	44.97116
"640397"	804.29006	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+2Na-H"	44.97116
"1137341"	298.07746	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2Na-H"	44.97116
"177348"	276.095518	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+2Na"	45.978436
"619099"	402.648668	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+2Na"	45.978436
"1127713"	149.542368	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2Na"	45.978436
"1412946"	100.030670666667	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H+2Na"	46.985712
"1443721"	300.119046	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H+HCOOH"	47.012746
"235335"	281.12854	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+3H2O+2H"	56.04448
"1522213"	314.17109	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+IsoProp+H"	61.06479
"422993"	284.082488	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+Na+K"	61.952376
"784349"	410.635638	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+Na+K"	61.952376
"1677399"	157.529338	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Na+K"	61.952376
"259545"	570.228368	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+ACN+Na"	64.015768
"1239178"	317.122068	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+ACN+Na"	64.015768
"1725511"	317.145593	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+NH4+HCOOH"	64.039293
"1193667"	107.357984666667	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+3Na"	68.967654
"1658576"	322.100988	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Na+HCOOH"	68.994688
"166530"	583.13164	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+2K-H"	76.91904
"603903"	836.23794	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+2K-H"	76.91904
"1099004"	330.02534	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2K-H"	76.91904
"154723"	292.069458	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"2M+2K"	77.926316
"593921"	418.622608	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"3M+2K"	77.926316
"1081709"	165.516308	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2K"	77.926316
"1111274"	332.039892	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2K+H"	78.933592
"1347660"	332.127507	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+DMSO+H"	79.021207
"1017283"	336.166676	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2ACN+H"	83.060376
"1537592"	337.160308	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+IsoProp+Na+H"	84.054008
"1003676"	168.586976	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+2ACN+2H"	84.067652
"1597448"	338.074928	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+K+HCOOH"	84.968628
"1422015"	368.106438	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+H+CF3COOH"	115.000138
"1155584"	189.100251	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+3ACN+2H"	125.094202
"1700760"	385.132985	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+NH4+CF3COOH"	132.026685
"1640786"	390.08838	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+Na+CF3COOH"	136.98208
"1572427"	406.06232	"C12842"	"Pyricarbate;Pyridinol carbamate"	"C11H15N3O4"	"253.1063"	"M+K+CF3COOH"	152.95602
"805710"	173.9987	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M"	0
"985805"	154.98031	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-H2O-H"	-19.01839
"71860"	114.991857333333	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M-3H"	-3.021828
"504861"	172.991424	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M-3H"	-3.021828
"885943"	56.9922906666667	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-3H"	-3.021828
"3424"	172.991424	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M-2H"	-2.014552
"442986"	259.990774	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M-2H"	-2.014552
"824068"	85.992074	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-2H"	-2.014552
"87343"	346.990124	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M-H"	-1.007276
"531280"	520.988824	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M-H"	-1.007276
"909085"	172.991424	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-H"	-1.007276
"61271"	364.016671	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M-2H+NH4"	16.019271
"496454"	538.015371	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M-2H+NH4"	16.019271
"874256"	190.017971	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-2H+NH4"	16.019271
"37782"	368.972066	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M-2H+Na"	20.974666
"476248"	542.970766	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M-2H+Na"	20.974666
"856237"	194.973366	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-2H+Na"	20.974666
"1622495"	194.973366	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Na-2H"	20.974666
"106680"	190.979763	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M-H+Cl"	33.962126
"547334"	277.979113	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M-H+Cl"	33.962126
"940484"	103.980413	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-H+Cl"	33.962126
"272844"	382.966802	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+Cl"	34.969402
"672921"	556.965502	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+Cl"	34.969402
"1276576"	208.968102	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Cl"	34.969402
"17307"	384.946006	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M-2H+K"	36.948606
"457960"	558.944706	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M-2H+K"	36.948606
"845247"	210.947306	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-2H+K"	36.948606
"1564359"	210.947306	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+K-2H"	36.948606
"946774"	218.996894	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-H+HCOOH"	44.998194
"370459"	392.995601	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+HCOOH-H"	44.998201
"352153"	407.011251	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+Hac-H"	59.013851
"1494178"	233.012551	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Hac-H"	59.013851
"959410"	240.978851	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-H+NaCOOH"	66.980151
"120719"	208.968102	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+2Cl"	69.938804
"554081"	295.967452	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+2Cl"	69.938804
"1027984"	121.968752	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2Cl"	69.938804
"1245740"	252.917585	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Br"	78.918885
"1307821"	254.973572	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Cl+HCOOH"	80.974872
"1322041"	276.955529	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Cl+NaCOOH"	102.956829
"911425"	286.984286	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M-H+CF3COOH"	112.985586
"1288507"	322.960964	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Cl+CF3COOH"	148.962264
"1377815"	138.986024	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H-2H2O"	-35.012676
"1386196"	156.996	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H-H2O"	-17.0027
"297436"	349.004676	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+H"	1.007276
"689858"	523.003376	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+H"	1.007276
"1366695"	175.005976	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H"	1.007276
"135572"	175.005976	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+2H"	2.014552
"574039"	262.005326	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+2H"	2.014552
"1045024"	88.006626	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2H"	2.014552
"210738"	117.006409333333	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+3H"	3.021828
"649203"	175.005976	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+3H"	3.021828
"1167330"	59.0068426666667	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+3H"	3.021828
"430602"	366.031223	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+NH4"	18.033823
"790501"	540.029923	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+NH4"	18.033823
"1682820"	192.032523	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+NH4"	18.033823
"332194"	183.5192495	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+H+NH4"	19.041099
"729720"	270.5185995	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+H+NH4"	19.041099
"1482448"	96.5198995	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H+NH4"	19.041099
"396028"	370.986618	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+Na"	22.989218
"757752"	544.985318	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+Na"	22.989218
"1605848"	196.987918	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Na"	22.989218
"319164"	185.996947	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+H+Na"	23.996494
"712682"	272.996297	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+H+Na"	23.996494
"1466504"	98.997597	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H+Na"	23.996494
"1055377"	66.3341566666667	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2H+Na"	25.00377
"1267992"	207.032186	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+CH3OH+H"	33.033486
"389847"	386.960558	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+K"	38.963158
"750845"	560.959258	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+K"	38.963158
"1551805"	212.961858	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+K"	38.963158
"310804"	193.983917	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+H+K"	39.970434
"704322"	280.983267	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+H+K"	39.970434
"1455224"	106.984567	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H+K"	39.970434
"247105"	390.031226	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+ACN+H"	42.033826
"1211068"	216.032526	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+ACN+H"	42.033826
"1195435"	108.519901	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+ACN+2H"	43.041102
"200946"	392.96856	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+2Na-H"	44.97116
"639413"	566.96726	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+2Na-H"	44.97116
"1136358"	218.96986	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2Na-H"	44.97116
"178553"	196.987918	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+2Na"	45.978436
"617021"	283.987268	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+2Na"	45.978436
"1130009"	109.988568	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2Na"	45.978436
"1414148"	73.6614706666667	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H+2Na"	46.985712
"1444194"	221.011446	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H+HCOOH"	47.012746
"231342"	202.02094	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+3H2O+2H"	56.04448
"1521590"	235.06349	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+IsoProp+H"	61.06479
"422369"	204.974888	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+Na+K"	61.952376
"783730"	291.974238	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+Na+K"	61.952376
"1677508"	117.975538	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Na+K"	61.952376
"260749"	412.013168	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+ACN+Na"	64.015768
"1230175"	238.014468	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+ACN+Na"	64.015768
"1726714"	238.037993	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+NH4+HCOOH"	64.039293
"1186606"	80.9887846666667	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+3Na"	68.967654
"1658685"	242.993388	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Na+HCOOH"	68.994688
"166640"	424.91644	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+2K-H"	76.91904
"611304"	598.91514	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+2K-H"	76.91904
"1098995"	250.91774	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2K-H"	76.91904
"153740"	212.961858	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"2M+2K"	77.926316
"593301"	299.961208	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"3M+2K"	77.926316
"1082547"	125.962508	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2K"	77.926316
"1113935"	252.932292	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2K+H"	78.933592
"1349831"	253.019907	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+DMSO+H"	79.021207
"1017389"	257.059076	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2ACN+H"	83.060376
"1533327"	258.052708	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+IsoProp+Na+H"	84.054008
"999775"	129.033176	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+2ACN+2H"	84.067652
"1597558"	258.967328	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+K+HCOOH"	84.968628
"1419936"	288.998838	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+H+CF3COOH"	115.000138
"1155694"	149.546451	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+3ACN+2H"	125.094202
"1701963"	306.025385	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+NH4+CF3COOH"	132.026685
"1640896"	310.98078	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+Na+CF3COOH"	136.98208
"1573266"	326.95472	"C12849"	"p-Phenolsulfonic acid;p-Hydroxybenzenesulfonic acid;Phenolsulfonic acid;4-Sulfophenol"	"C6H6O4S"	"173.9987"	"M+K+CF3COOH"	152.95602
"809100"	355.0048	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M"	0
"985915"	335.98641	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-H2O-H"	-19.01839
"74158"	235.662590666667	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M-3H"	-3.021828
"504971"	353.997524	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M-3H"	-3.021828
"888240"	117.327657333333	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-3H"	-3.021828
"3534"	353.997524	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M-2H"	-2.014552
"446377"	531.499924	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M-2H"	-2.014552
"827459"	176.495124	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-2H"	-2.014552
"87453"	709.002324	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M-H"	-1.007276
"530297"	1064.007124	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M-H"	-1.007276
"909440"	353.997524	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-H"	-1.007276
"60288"	726.028871	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M-2H+NH4"	16.019271
"493285"	1081.033671	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M-2H+NH4"	16.019271
"869992"	371.024071	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-2H+NH4"	16.019271
"34613"	730.984266	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M-2H+Na"	20.974666
"475264"	1085.989066	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M-2H+Na"	20.974666
"854160"	375.979466	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-2H+Na"	20.974666
"1625885"	375.979466	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Na-2H"	20.974666
"106426"	371.985863	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M-H+Cl"	33.962126
"548536"	549.488263	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M-H+Cl"	33.962126
"938407"	194.483463	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-H+Cl"	33.962126
"272954"	744.979002	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+Cl"	34.969402
"674127"	1099.983802	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+Cl"	34.969402
"1283246"	389.974202	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Cl"	34.969402
"17053"	746.958206	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M-2H+K"	36.948606
"457706"	1101.963006	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M-2H+K"	36.948606
"844264"	391.953406	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-2H+K"	36.948606
"1563376"	391.953406	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+K-2H"	36.948606
"949071"	400.002994	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-H+HCOOH"	44.998194
"370569"	755.007801	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+HCOOH-H"	44.998201
"353357"	769.023451	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+Hac-H"	59.013851
"1495627"	414.018651	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Hac-H"	59.013851
"960615"	421.984951	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-H+NaCOOH"	66.980151
"117549"	389.974202	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+2Cl"	69.938804
"553098"	567.476602	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+2Cl"	69.938804
"1028094"	212.471802	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2Cl"	69.938804
"1247673"	433.923685	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Br"	78.918885
"1307204"	435.979672	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Cl+HCOOH"	80.974872
"1322151"	457.961629	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Cl+NaCOOH"	102.956829
"911745"	467.990386	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M-H+CF3COOH"	112.985586
"1288773"	503.967064	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Cl+CF3COOH"	148.962264
"1373550"	319.992124	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H-2H2O"	-35.012676
"1386306"	338.0021	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H-H2O"	-17.0027
"298512"	711.016876	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+H"	1.007276
"690942"	1066.021676	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+H"	1.007276
"1366684"	356.012076	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H"	1.007276
"137869"	356.012076	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+2H"	2.014552
"575242"	533.514476	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+2H"	2.014552
"1044042"	178.509676	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2H"	2.014552
"210848"	237.677142666667	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+3H"	3.021828
"647127"	356.012076	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+3H"	3.021828
"1166347"	119.342209333333	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+3H"	3.021828
"428525"	728.043423	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+NH4"	18.033823
"789518"	1083.048223	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+NH4"	18.033823
"1684752"	373.038623	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+NH4"	18.033823
"334126"	364.5253495	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+H+NH4"	19.041099
"727644"	542.0277495	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+H+NH4"	19.041099
"1480371"	187.0229495	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H+NH4"	19.041099
"400146"	732.998818	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+Na"	22.989218
"760048"	1088.003618	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+Na"	22.989218
"1605958"	377.994018	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Na"	22.989218
"315994"	367.003047	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+H+Na"	23.996494
"708416"	544.505447	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+H+Na"	23.996494
"1467707"	189.500647	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H+Na"	23.996494
"1058767"	126.669523333333	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2H+Na"	25.00377
"1267008"	388.038286	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+CH3OH+H"	33.033486
"382302"	748.972758	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+K"	38.963158
"750955"	1103.977558	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+K"	38.963158
"1553495"	393.967958	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+K"	38.963158
"311278"	374.990017	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+H+K"	39.970434
"706830"	552.492417	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+H+K"	39.970434
"1459587"	197.487617	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H+K"	39.970434
"248309"	752.043426	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+ACN+H"	42.033826
"1213365"	397.038626	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+ACN+H"	42.033826
"1198340"	199.022951	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+ACN+2H"	43.041102
"201056"	754.98076	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+2Na-H"	44.97116
"638429"	1109.98556	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+2Na-H"	44.97116
"1138653"	399.97596	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2Na-H"	44.97116
"178661"	377.994018	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+2Na"	45.978436
"617131"	555.496418	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+2Na"	45.978436
"1130848"	200.491618	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2Na"	45.978436
"1413851"	133.996837333333	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H+2Na"	46.985712
"1445237"	402.017546	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H+HCOOH"	47.012746
"233638"	383.02704	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+3H2O+2H"	56.04448
"1520243"	416.06959	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+IsoProp+H"	61.06479
"420292"	385.980988	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+Na+K"	61.952376
"784934"	563.483388	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+Na+K"	61.952376
"1674338"	208.478588	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Na+K"	61.952376
"262682"	774.025368	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+ACN+Na"	64.015768
"1233565"	419.020568	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+ACN+Na"	64.015768
"1723544"	419.044093	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+NH4+HCOOH"	64.039293
"1184529"	141.324151333333	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+3Na"	68.967654
"1658795"	423.999488	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Na+HCOOH"	68.994688
"166750"	786.92864	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+2K-H"	76.91904
"609591"	1141.93344	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+2K-H"	76.91904
"1098482"	431.92384	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2K-H"	76.91904
"154941"	393.967958	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"2M+2K"	77.926316
"595594"	571.470358	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"3M+2K"	77.926316
"1082656"	216.465558	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2K"	77.926316
"1110397"	433.938392	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2K+H"	78.933592
"1350062"	434.026007	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+DMSO+H"	79.021207
"1017499"	438.065176	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2ACN+H"	83.060376
"1533437"	439.058808	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+IsoProp+Na+H"	84.054008
"1003165"	219.536226	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+2ACN+2H"	84.067652
"1597668"	439.973428	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+K+HCOOH"	84.968628
"1417860"	470.004938	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+H+CF3COOH"	115.000138
"1155804"	240.049501	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+3ACN+2H"	125.094202
"1698793"	487.031485	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+NH4+CF3COOH"	132.026685
"1641005"	491.98688	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+Na+CF3COOH"	136.98208
"1573376"	507.96082	"C12853"	"Thiamphenicol"	"C12H15Cl2NO5S"	"355.0048"	"M+K+CF3COOH"	152.95602
"805930"	356.2351	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M"	0
"982744"	337.21671	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-H2O-H"	-19.01839
"63329"	236.482790666667	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M-3H"	-3.021828
"503131"	355.227824	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M-3H"	-3.021828
"881790"	117.737757333333	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-3H"	-3.021828
"3644"	355.227824	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M-2H"	-2.014552
"446487"	533.345374	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M-2H"	-2.014552
"828662"	177.110274	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-2H"	-2.014552
"87563"	711.462924	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M-H"	-1.007276
"526033"	1067.698024	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M-H"	-1.007276
"903835"	355.227824	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-H"	-1.007276
"58212"	728.489471	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M-2H+NH4"	16.019271
"492302"	1084.724571	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M-2H+NH4"	16.019271
"866823"	372.254371	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-2H+NH4"	16.019271
"34723"	733.444866	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M-2H+Na"	20.974666
"475373"	1089.679966	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M-2H+Na"	20.974666
"852083"	377.209766	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-2H+Na"	20.974666
"1620528"	377.209766	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Na-2H"	20.974666
"103620"	373.216163	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M-H+Cl"	33.962126
"540993"	551.333713	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M-H+Cl"	33.962126
"935601"	195.098613	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-H+Cl"	33.962126
"273064"	747.439602	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+Cl"	34.969402
"670955"	1103.674702	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+Cl"	34.969402
"1283357"	391.204502	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Cl"	34.969402
"19350"	749.418806	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M-2H+K"	36.948606
"456598"	1105.653906	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M-2H+K"	36.948606
"838178"	393.183706	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-2H+K"	36.948606
"1557290"	393.183706	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+K-2H"	36.948606
"948088"	401.233294	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-H+HCOOH"	44.998194
"362052"	757.468401	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+HCOOH-H"	44.998201
"349093"	771.484051	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+Hac-H"	59.013851
"1495008"	415.248951	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Hac-H"	59.013851
"963277"	423.215251	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-H+NaCOOH"	66.980151
"113284"	391.204502	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+2Cl"	69.938804
"553572"	569.322052	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+2Cl"	69.938804
"1022370"	213.086952	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2Cl"	69.938804
"1241659"	435.153985	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Br"	78.918885
"1309136"	437.209972	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Cl+HCOOH"	80.974872
"1321167"	459.191929	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Cl+NaCOOH"	102.956829
"912225"	469.220686	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M-H+CF3COOH"	112.985586
"1289415"	505.197364	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Cl+CF3COOH"	148.962264
"1373660"	321.222424	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H-2H2O"	-35.012676
"1386416"	339.2324	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H-H2O"	-17.0027
"297047"	713.477476	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+H"	1.007276
"690199"	1069.712576	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+H"	1.007276
"1366310"	357.242376	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H"	1.007276
"135792"	357.242376	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+2H"	2.014552
"576445"	535.359926	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+2H"	2.014552
"1043058"	179.124826	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2H"	2.014552
"210958"	238.497342666667	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+3H"	3.021828
"645415"	357.242376	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+3H"	3.021828
"1164634"	119.752309333333	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+3H"	3.021828
"426448"	730.504023	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+NH4"	18.033823
"788534"	1086.739123	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+NH4"	18.033823
"1687048"	374.268923	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+NH4"	18.033823
"331685"	365.7556495	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+H+NH4"	19.041099
"728847"	543.8731995	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+H+NH4"	19.041099
"1482667"	187.6380995	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H+NH4"	19.041099
"400255"	735.459418	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+Na"	22.989218
"759063"	1091.694518	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+Na"	22.989218
"1607161"	379.224318	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Na"	22.989218
"316346"	368.233347	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+H+Na"	23.996494
"709619"	546.350897	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+H+Na"	23.996494
"1465629"	190.115797	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H+Na"	23.996494
"1056690"	127.079623333333	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2H+Na"	25.00377
"1259093"	389.268586	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+CH3OH+H"	33.033486
"382412"	751.433358	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+K"	38.963158
"751063"	1107.668458	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+K"	38.963158
"1553363"	395.198258	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+K"	38.963158
"308106"	376.220317	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+H+K"	39.970434
"706243"	554.337867	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+H+K"	39.970434
"1457631"	198.102767	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H+K"	39.970434
"249147"	754.504026	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+ACN+H"	42.033826
"1216754"	398.268926	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+ACN+H"	42.033826
"1201729"	199.638101	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+ACN+2H"	43.041102
"195697"	757.44136	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+2Na-H"	44.97116
"637446"	1113.67646	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+2Na-H"	44.97116
"1140949"	401.20626	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2Na-H"	44.97116
"179864"	379.224318	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+2Na"	45.978436
"620520"	557.341868	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+2Na"	45.978436
"1129502"	201.106768	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2Na"	45.978436
"1412544"	134.406937333333	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H+2Na"	46.985712
"1443323"	403.247846	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H+HCOOH"	47.012746
"232290"	384.25734	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+3H2O+2H"	56.04448
"1521810"	417.29989	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+IsoProp+H"	61.06479
"418944"	387.211288	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+Na+K"	61.952376
"781033"	565.328838	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+Na+K"	61.952376
"1673353"	209.093738	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Na+K"	61.952376
"258782"	776.485968	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+ACN+Na"	64.015768
"1232581"	420.250868	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+ACN+Na"	64.015768
"1723290"	420.274393	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+NH4+HCOOH"	64.039293
"1182812"	141.734251333333	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+3Na"	68.967654
"1652707"	425.229788	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Na+HCOOH"	68.994688
"165767"	789.38924	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+2K-H"	76.91904
"605328"	1145.62434	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+2K-H"	76.91904
"1097378"	433.15414	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2K-H"	76.91904
"154687"	395.198258	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"2M+2K"	77.926316
"593518"	573.315808	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"3M+2K"	77.926316
"1079486"	217.080708	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2K"	77.926316
"1110507"	435.168692	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2K+H"	78.933592
"1346892"	435.256307	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+DMSO+H"	79.021207
"1016516"	439.295476	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2ACN+H"	83.060376
"1533547"	440.289108	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+IsoProp+Na+H"	84.054008
"999995"	220.151376	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+2ACN+2H"	84.067652
"1592311"	441.203728	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+K+HCOOH"	84.968628
"1415296"	471.235238	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+H+CF3COOH"	115.000138
"1152634"	240.664651	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+3ACN+2H"	125.094202
"1698903"	488.261785	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+NH4+CF3COOH"	132.026685
"1640022"	493.21718	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+Na+CF3COOH"	136.98208
"1571418"	509.19112	"C12859"	"Estradiol valerate"	"C23H32O3"	"356.2351"	"M+K+CF3COOH"	152.95602
"806040"	303.0183	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M"	0
"985041"	283.99991	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-H2O-H"	-19.01839
"65994"	201.004924	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M-3H"	-3.021828
"505191"	302.011024	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M-3H"	-3.021828
"882628"	99.998824	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-3H"	-3.021828
"2661"	302.011024	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M-2H"	-2.014552
"447690"	453.520174	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M-2H"	-2.014552
"823305"	150.501874	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-2H"	-2.014552
"87673"	605.029324	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M-H"	-1.007276
"520427"	908.047624	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M-H"	-1.007276
"905038"	302.011024	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-H"	-1.007276
"58322"	622.055871	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M-2H+NH4"	16.019271
"493505"	925.074171	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M-2H+NH4"	16.019271
"866933"	319.037571	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-2H+NH4"	16.019271
"33740"	627.011266	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M-2H+Na"	20.974666
"474390"	930.029566	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M-2H+Na"	20.974666
"852194"	323.992966	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-2H+Na"	20.974666
"1620638"	323.992966	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Na-2H"	20.974666
"103730"	319.999363	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M-H+Cl"	33.962126
"541103"	471.508513	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M-H+Cl"	33.962126
"934618"	168.490213	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-H+Cl"	33.962126
"276454"	641.006002	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+Cl"	34.969402
"671066"	944.024302	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+Cl"	34.969402
"1283466"	337.987702	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Cl"	34.969402
"18367"	642.985206	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M-2H+K"	36.948606
"456222"	946.003506	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M-2H+K"	36.948606
"839381"	339.966906	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-2H+K"	36.948606
"1558129"	339.966906	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+K-2H"	36.948606
"950385"	348.016494	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-H+HCOOH"	44.998194
"364593"	651.034801	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+HCOOH-H"	44.998201
"349568"	665.050451	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+Hac-H"	59.013851
"1498034"	362.032151	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Hac-H"	59.013851
"963387"	369.998451	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-H+NaCOOH"	66.980151
"116675"	337.987702	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+2Cl"	69.938804
"554046"	489.496852	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+2Cl"	69.938804
"1022965"	186.478552	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2Cl"	69.938804
"1241446"	381.937185	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Br"	78.918885
"1308517"	383.993172	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Cl+HCOOH"	80.974872
"1322007"	405.975129	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Cl+NaCOOH"	102.956829
"912333"	416.003886	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M-H+CF3COOH"	112.985586
"1290134"	451.980564	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Cl+CF3COOH"	148.962264
"1370490"	268.005624	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H-2H2O"	-35.012676
"1385798"	286.0156	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H-H2O"	-17.0027
"290593"	607.043876	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+H"	1.007276
"687390"	910.062176	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+H"	1.007276
"1363374"	304.025576	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H"	1.007276
"141326"	304.025576	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+2H"	2.014552
"576555"	455.534726	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+2H"	2.014552
"1044261"	152.516426	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2H"	2.014552
"211068"	203.019476	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+3H"	3.021828
"647347"	304.025576	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+3H"	3.021828
"1164380"	102.013376	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+3H"	3.021828
"426558"	624.070423	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+NH4"	18.033823
"786700"	927.088723	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+NH4"	18.033823
"1684242"	321.052123	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+NH4"	18.033823
"330458"	312.5388495	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+H+NH4"	19.041099
"727863"	464.0479995	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+H+NH4"	19.041099
"1483870"	161.0296995	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H+NH4"	19.041099
"399271"	629.025818	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+Na"	22.989218
"756984"	932.044118	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+Na"	22.989218
"1604230"	326.007518	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Na"	22.989218
"317304"	315.016547	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+H+Na"	23.996494
"708636"	466.525697	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+H+Na"	23.996494
"1464643"	163.507397	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H+Na"	23.996494
"1056800"	109.34069	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2H+Na"	25.00377
"1258839"	336.051786	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+CH3OH+H"	33.033486
"383615"	644.999758	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+K"	38.963158
"750809"	948.018058	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+K"	38.963158
"1553227"	341.981458	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+K"	38.963158
"308216"	323.003517	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+H+K"	39.970434
"703923"	474.512667	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+H+K"	39.970434
"1458835"	171.494367	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H+K"	39.970434
"249621"	648.070426	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+ACN+H"	42.033826
"1212492"	345.052126	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+ACN+H"	42.033826
"1201842"	173.029701	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+ACN+2H"	43.041102
"193620"	651.00776	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+2Na-H"	44.97116
"636462"	954.02606	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+2Na-H"	44.97116
"1137781"	347.98946	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2Na-H"	44.97116
"179975"	326.007518	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+2Na"	45.978436
"621724"	477.516668	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+2Na"	45.978436
"1129613"	174.498368	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2Na"	45.978436
"1413383"	116.668004	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H+2Na"	46.985712
"1443797"	350.031046	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H+HCOOH"	47.012746
"232400"	331.04054	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+3H2O+2H"	56.04448
"1523501"	364.08309	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+IsoProp+H"	61.06479
"420147"	333.994488	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+Na+K"	61.952376
"782236"	485.503638	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+Na+K"	61.952376
"1676380"	182.485338	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Na+K"	61.952376
"260714"	670.052368	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+ACN+Na"	64.015768
"1233057"	367.034068	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+ACN+Na"	64.015768
"1720121"	367.057593	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+NH4+HCOOH"	64.039293
"1184745"	123.995318	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+3Na"	68.967654
"1655733"	372.012988	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Na+HCOOH"	68.994688
"160408"	682.95564	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+2K-H"	76.91904
"606531"	985.97394	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+2K-H"	76.91904
"1089951"	379.93734	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2K-H"	76.91904
"152246"	341.981458	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"2M+2K"	77.926316
"591441"	493.490608	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"3M+2K"	77.926316
"1079232"	190.472308	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2K"	77.926316
"1111710"	381.951892	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2K+H"	78.933592
"1343720"	382.039507	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+DMSO+H"	79.021207
"1018812"	386.078676	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2ACN+H"	83.060376
"1535843"	387.072308	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+IsoProp+Na+H"	84.054008
"1002291"	193.542976	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+2ACN+2H"	84.067652
"1596794"	387.986928	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+K+HCOOH"	84.968628
"1415042"	418.018438	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+H+CF3COOH"	115.000138
"1156023"	214.056251	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+3ACN+2H"	125.094202
"1699013"	435.044985	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+NH4+CF3COOH"	132.026685
"1640132"	440.00038	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+Na+CF3COOH"	136.98208
"1571771"	455.97432	"C12862"	"Nedaplatin"	"C2H8N2O3Pt"	"303.0183"	"M+K+CF3COOH"	152.95602
"811618"	351.1834	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M"	0
"985151"	332.16501	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-H2O-H"	-19.01839
"69021"	233.114990666667	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M-3H"	-3.021828
"504208"	350.176124	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M-3H"	-3.021828
"888571"	116.053857333333	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-3H"	-3.021828
"7145"	350.176124	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M-2H"	-2.014552
"450717"	525.767824	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M-2H"	-2.014552
"823415"	174.584424	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-2H"	-2.014552
"85597"	701.359524	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M-H"	-1.007276
"520051"	1052.542924	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M-H"	-1.007276
"901866"	350.176124	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-H"	-1.007276
"52961"	718.386071	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M-2H+NH4"	16.019271
"493614"	1069.569471	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M-2H+NH4"	16.019271
"865949"	367.202671	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-2H+NH4"	16.019271
"32148"	723.341466	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M-2H+Na"	20.974666
"473041"	1074.524866	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M-2H+Na"	20.974666
"851211"	372.158066	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-2H+Na"	20.974666
"1620748"	372.158066	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Na-2H"	20.974666
"104933"	368.164463	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M-H+Cl"	33.962126
"542306"	543.756163	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M-H+Cl"	33.962126
"935821"	192.572763	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-H+Cl"	33.962126
"276564"	737.336202	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+Cl"	34.969402
"663884"	1088.519602	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+Cl"	34.969402
"1280296"	386.152802	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Cl"	34.969402
"20665"	739.315406	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M-2H+K"	36.948606
"461318"	1090.498806	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M-2H+K"	36.948606
"838397"	388.132006	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-2H+K"	36.948606
"1560425"	388.132006	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+K-2H"	36.948606
"946119"	396.181594	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-H+HCOOH"	44.998194
"367983"	747.365001	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+HCOOH-H"	44.998201
"349313"	761.380651	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+Hac-H"	59.013851
"1493768"	410.197251	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Hac-H"	59.013851
"961310"	418.163551	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-H+NaCOOH"	66.980151
"115327"	386.152802	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+2Cl"	69.938804
"554156"	561.744502	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+2Cl"	69.938804
"1022954"	210.561102	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2Cl"	69.938804
"1242530"	430.102285	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Br"	78.918885
"1309721"	432.158272	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Cl+HCOOH"	80.974872
"1321386"	454.140229	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Cl+NaCOOH"	102.956829
"914994"	464.168986	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M-H+CF3COOH"	112.985586
"1291337"	500.145664	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Cl+CF3COOH"	148.962264
"1368777"	316.170724	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H-2H2O"	-35.012676
"1382901"	334.1807	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H-H2O"	-17.0027
"288880"	703.374076	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+H"	1.007276
"684584"	1054.557476	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+H"	1.007276
"1360932"	352.190676	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H"	1.007276
"141348"	352.190676	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+2H"	2.014552
"577758"	527.782376	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+2H"	2.014552
"1046558"	176.598976	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2H"	2.014552
"210085"	235.129542666667	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+3H"	3.021828
"646364"	352.190676	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+3H"	3.021828
"1165583"	118.068409333333	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+3H"	3.021828
"428854"	720.400623	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+NH4"	18.033823
"786689"	1071.584023	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+NH4"	18.033823
"1682895"	369.217223	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+NH4"	18.033823
"330569"	360.7039495	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+H+NH4"	19.041099
"725786"	536.2956495	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+H+NH4"	19.041099
"1480700"	185.1122495	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H+NH4"	19.041099
"398289"	725.356018	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+Na"	22.989218
"757095"	1076.539418	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+Na"	22.989218
"1605193"	374.172618	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Na"	22.989218
"315350"	363.181647	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+H+Na"	23.996494
"709840"	538.773347	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+H+Na"	23.996494
"1464391"	187.589947	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H+Na"	23.996494
"1055087"	125.395723333333	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2H+Na"	25.00377
"1257976"	384.216886	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+CH3OH+H"	33.033486
"385914"	741.329958	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+K"	38.963158
"750191"	1092.513358	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+K"	38.963158
"1555160"	390.146558	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+K"	38.963158
"311242"	371.168617	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+H+K"	39.970434
"705855"	546.760317	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+H+K"	39.970434
"1457852"	195.576917	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H+K"	39.970434
"246452"	744.400626	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+ACN+H"	42.033826
"1215883"	393.217226	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+ACN+H"	42.033826
"1198671"	197.112251	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+ACN+2H"	43.041102
"193730"	747.33796	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+2Na-H"	44.97116
"635479"	1098.52136	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+2Na-H"	44.97116
"1137890"	396.15456	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2Na-H"	44.97116
"175710"	374.172618	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+2Na"	45.978436
"619646"	549.764318	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+2Na"	45.978436
"1130658"	198.580918	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2Na"	45.978436
"1413415"	132.723037333333	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H+2Na"	46.985712
"1443908"	398.196146	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H+HCOOH"	47.012746
"232875"	379.20564	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+3H2O+2H"	56.04448
"1523491"	412.24819	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+IsoProp+H"	61.06479
"421715"	382.159588	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+Na+K"	61.952376
"780159"	557.751288	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+Na+K"	61.952376
"1677218"	206.567888	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Na+K"	61.952376
"263374"	766.382568	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+ACN+Na"	64.015768
"1238634"	415.199168	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+ACN+Na"	64.015768
"1723511"	415.222693	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+NH4+HCOOH"	64.039293
"1187043"	140.050351333333	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+3Na"	68.967654
"1659123"	420.178088	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Na+HCOOH"	68.994688
"172426"	779.28584	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+2K-H"	76.91904
"608822"	1130.46924	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+2K-H"	76.91904
"1086781"	428.10244	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2K-H"	76.91904
"153443"	390.146558	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"2M+2K"	77.926316
"591908"	565.738258	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"3M+2K"	77.926316
"1076421"	214.554858	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2K"	77.926316
"1105256"	430.116992	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2K+H"	78.933592
"1338719"	430.204607	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+DMSO+H"	79.021207
"1007130"	434.243776	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2ACN+H"	83.060376
"1535953"	435.237408	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+IsoProp+Na+H"	84.054008
"996933"	217.625526	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+2ACN+2H"	84.067652
"1595811"	436.152028	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+K+HCOOH"	84.968628
"1417096"	466.183538	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+H+CF3COOH"	115.000138
"1156133"	238.138801	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+3ACN+2H"	125.094202
"1699123"	483.210085	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+NH4+CF3COOH"	132.026685
"1643522"	488.16548	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+Na+CF3COOH"	136.98208
"1571882"	504.13942	"C12864"	"Tamibarotene;Am 80"	"C22H25NO3"	"351.1834"	"M+K+CF3COOH"	152.95602
"812821"	213.079	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M"	0
"986354"	194.06061	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-H2O-H"	-19.01839
"69131"	141.045390666667	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M-3H"	-3.021828
"505410"	212.071724	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M-3H"	-3.021828
"885401"	70.0190573333333	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-3H"	-3.021828
"7255"	212.071724	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M-2H"	-2.014552
"445724"	318.611224	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M-2H"	-2.014552
"823525"	105.532224	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-2H"	-2.014552
"82427"	425.150724	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M-H"	-1.007276
"520893"	638.229724	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M-H"	-1.007276
"903071"	212.071724	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-H"	-1.007276
"50885"	442.177271	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M-2H+NH4"	16.019271
"487321"	655.256271	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M-2H+NH4"	16.019271
"869341"	229.098271	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-2H+NH4"	16.019271
"33588"	447.132666	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M-2H+Na"	20.974666
"473514"	660.211666	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M-2H+Na"	20.974666
"850587"	234.053666	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-2H+Na"	20.974666
"1618627"	234.053666	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Na-2H"	20.974666
"96414"	230.060063	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M-H+Cl"	33.962126
"542416"	336.599563	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M-H+Cl"	33.962126
"935931"	123.520563	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-H+Cl"	33.962126
"279954"	461.127402	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+Cl"	34.969402
"670191"	674.206402	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+Cl"	34.969402
"1282593"	248.048402	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Cl"	34.969402
"24055"	463.106606	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M-2H+K"	36.948606
"461428"	676.185606	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M-2H+K"	36.948606
"839234"	250.027606	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-2H+K"	36.948606
"1559442"	250.027606	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+K-2H"	36.948606
"948416"	258.077194	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-H+HCOOH"	44.998194
"367729"	471.156201	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+HCOOH-H"	44.998201
"349423"	485.171851	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+Hac-H"	59.013851
"1498253"	272.092851	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Hac-H"	59.013851
"969074"	280.059151	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-H+NaCOOH"	66.980151
"114709"	248.048402	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+2Cl"	69.938804
"553902"	354.587902	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+2Cl"	69.938804
"1023064"	141.508902	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2Cl"	69.938804
"1243006"	291.997885	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Br"	78.918885
"1312747"	294.053872	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Cl+HCOOH"	80.974872
"1320195"	316.035829	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Cl+NaCOOH"	102.956829
"912554"	326.064586	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M-H+CF3COOH"	112.985586
"1289993"	362.041264	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Cl+CF3COOH"	148.962264
"1369616"	178.066324	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H-2H2O"	-35.012676
"1384190"	196.0763	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H-H2O"	-17.0027
"287898"	427.165276	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+H"	1.007276
"686880"	640.244276	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+H"	1.007276
"1360678"	214.086276	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H"	1.007276
"140131"	214.086276	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+2H"	2.014552
"573494"	320.625776	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+2H"	2.014552
"1043388"	107.546776	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2H"	2.014552
"208008"	143.059942666667	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+3H"	3.021828
"644892"	214.086276	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+3H"	3.021828
"1165693"	72.0336093333333	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+3H"	3.021828
"425684"	444.191823	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+NH4"	18.033823
"786677"	657.270823	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+NH4"	18.033823
"1684101"	231.112823	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+NH4"	18.033823
"334562"	222.5995495	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+H+NH4"	19.041099
"725896"	329.1390495	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+H+NH4"	19.041099
"1479717"	116.0600495	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H+NH4"	19.041099
"397305"	449.147218	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+Na"	22.989218
"756234"	662.226218	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+Na"	22.989218
"1604211"	236.068218	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Na"	22.989218
"315462"	225.077247	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+H+Na"	23.996494
"709950"	331.616747	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+H+Na"	23.996494
"1465958"	118.537747	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H+Na"	23.996494
"1055922"	79.3609233333333	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2H+Na"	25.00377
"1258693"	246.112486	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+CH3OH+H"	33.033486
"382741"	465.121158	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+K"	38.963158
"753095"	678.200158	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+K"	38.963158
"1553084"	252.042158	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+K"	38.963158
"311352"	233.064217	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+H+K"	39.970434
"703048"	339.603717	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+H+K"	39.970434
"1455775"	126.524717	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H+K"	39.970434
"244375"	468.191826	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+ACN+H"	42.033826
"1211252"	255.112826	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+ACN+H"	42.033826
"1197686"	128.060051	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+ACN+2H"	43.041102
"193837"	471.12916	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+2Na-H"	44.97116
"636682"	684.20816	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+2Na-H"	44.97116
"1138000"	258.05016	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2Na-H"	44.97116
"176914"	236.068218	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+2Na"	45.978436
"618664"	342.607718	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+2Na"	45.978436
"1130080"	129.528718	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2Na"	45.978436
"1413483"	86.6882373333333	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H+2Na"	46.985712
"1444504"	260.091746	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H+HCOOH"	47.012746
"235051"	241.10124	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+3H2O+2H"	56.04448
"1523724"	274.14379	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+IsoProp+H"	61.06479
"421097"	244.055188	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+Na+K"	61.952376
"780633"	350.594688	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+Na+K"	61.952376
"1675870"	137.515688	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Na+K"	61.952376
"263848"	490.173768	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+ACN+Na"	64.015768
"1238380"	277.094768	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+ACN+Na"	64.015768
"1723257"	277.118293	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+NH4+HCOOH"	64.039293
"1187153"	94.0155513333333	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+3Na"	68.967654
"1665351"	282.073688	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Na+HCOOH"	68.994688
"169373"	503.07704	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+2K-H"	76.91904
"610755"	716.15604	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+2K-H"	76.91904
"1087984"	289.99804	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2K-H"	76.91904
"152459"	252.042158	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"2M+2K"	77.926316
"590925"	358.581658	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"3M+2K"	77.926316
"1075438"	145.502658	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2K"	77.926316
"1104273"	292.012592	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2K+H"	78.933592
"1337371"	292.100207	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+DMSO+H"	79.021207
"1006633"	296.139376	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2ACN+H"	83.060376
"1532782"	297.133008	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+IsoProp+Na+H"	84.054008
"993763"	148.573326	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+2ACN+2H"	84.067652
"1590452"	298.047628	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+K+HCOOH"	84.968628
"1417207"	328.079138	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+H+CF3COOH"	115.000138
"1155150"	169.086601	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+3ACN+2H"	125.094202
"1699233"	345.105685	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+NH4+CF3COOH"	132.026685
"1640352"	350.06108	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+Na+CF3COOH"	136.98208
"1571423"	366.03502	"C12865"	"Benzyl nicotinate;Nicotinic acid benzyl ester"	"C13H11NO2"	"213.079"	"M+K+CF3COOH"	152.95602
"812931"	328.1583	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M"	0
"986100"	309.13991	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-H2O-H"	-19.01839
"69241"	217.764924	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M-3H"	-3.021828
"503328"	327.151024	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M-3H"	-3.021828
"881137"	108.378824	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-3H"	-3.021828
"5179"	327.151024	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M-2H"	-2.014552
"442554"	491.230174	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M-2H"	-2.014552
"822542"	163.071874	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-2H"	-2.014552
"80351"	655.309324	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M-H"	-1.007276
"519910"	983.467624	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M-H"	-1.007276
"900994"	327.151024	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-H"	-1.007276
"48808"	672.335871	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M-2H+NH4"	16.019271
"487387"	1000.494171	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M-2H+NH4"	16.019271
"868358"	344.177571	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-2H+NH4"	16.019271
"32602"	677.291266	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M-2H+Na"	20.974666
"471927"	1005.449566	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M-2H+Na"	20.974666
"849283"	349.132966	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-2H+Na"	20.974666
"1618769"	349.132966	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Na-2H"	20.974666
"95431"	345.139363	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M-H+Cl"	33.962126
"542526"	509.218513	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M-H+Cl"	33.962126
"936041"	181.060213	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-H+Cl"	33.962126
"277515"	691.286002	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+Cl"	34.969402
"670299"	1019.444302	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+Cl"	34.969402
"1283069"	363.127702	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Cl"	34.969402
"20883"	693.265206	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M-2H+K"	36.948606
"458258"	1021.423506	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M-2H+K"	36.948606
"833227"	365.106906	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-2H+K"	36.948606
"1561739"	365.106906	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+K-2H"	36.948606
"946340"	373.156494	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-H+HCOOH"	44.998194
"370024"	701.314801	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+HCOOH-H"	44.998201
"347708"	715.330451	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+Hac-H"	59.013851
"1499456"	387.172151	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Hac-H"	59.013851
"971370"	395.138451	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-H+NaCOOH"	66.980151
"114818"	363.127702	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+2Cl"	69.938804
"552555"	527.206852	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+2Cl"	69.938804
"1022079"	199.048552	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2Cl"	69.938804
"1242993"	407.077185	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Br"	78.918885
"1311764"	409.133172	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Cl+HCOOH"	80.974872
"1320515"	431.115129	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Cl+NaCOOH"	102.956829
"911937"	441.143886	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M-H+CF3COOH"	112.985586
"1293749"	477.120564	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Cl+CF3COOH"	148.962264
"1370090"	293.145624	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H-2H2O"	-35.012676
"1382796"	311.1556	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H-H2O"	-17.0027
"288008"	657.323876	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+H"	1.007276
"686990"	985.482176	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+H"	1.007276
"1362611"	329.165576	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H"	1.007276
"139147"	329.165576	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+2H"	2.014552
"573604"	493.244726	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+2H"	2.014552
"1044591"	165.086426	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2H"	2.014552
"208118"	219.779476	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+3H"	3.021828
"644675"	329.165576	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+3H"	3.021828
"1164709"	110.393376	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+3H"	3.021828
"429074"	674.350423	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+NH4"	18.033823
"787881"	1002.508723	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+NH4"	18.033823
"1683119"	346.192123	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+NH4"	18.033823
"335765"	337.6788495	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+H+NH4"	19.041099
"725277"	501.7579995	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+H+NH4"	19.041099
"1482014"	173.5996995	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H+NH4"	19.041099
"396322"	679.305818	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+Na"	22.989218
"756344"	1007.464118	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+Na"	22.989218
"1604442"	351.147518	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Na"	22.989218
"314963"	340.156547	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+H+Na"	23.996494
"708967"	504.235697	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+H+Na"	23.996494
"1463882"	176.077397	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H+Na"	23.996494
"1054939"	117.72069	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2H+Na"	25.00377
"1260989"	361.191786	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+CH3OH+H"	33.033486
"380664"	695.279758	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+K"	38.963158
"747858"	1023.438058	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+K"	38.963158
"1551371"	367.121458	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+K"	38.963158
"311462"	348.143517	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+H+K"	39.970434
"698786"	512.222667	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+H+K"	39.970434
"1452605"	184.064367	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H+K"	39.970434
"244486"	698.350426	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+ACN+H"	42.033826
"1210997"	370.192126	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+ACN+H"	42.033826
"1195245"	185.599701	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+ACN+2H"	43.041102
"192853"	701.28776	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+2Na-H"	44.97116
"628852"	1029.44606	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+2Na-H"	44.97116
"1133736"	373.12946	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2Na-H"	44.97116
"175930"	351.147518	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+2Na"	45.978436
"615493"	515.226668	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+2Na"	45.978436
"1129579"	187.068368	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2Na"	45.978436
"1411280"	125.048004	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H+2Na"	46.985712
"1442301"	375.171046	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H+HCOOH"	47.012746
"234674"	356.18054	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+3H2O+2H"	56.04448
"1522738"	389.22309	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+IsoProp+H"	61.06479
"422299"	359.134488	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+Na+K"	61.952376
"780743"	523.213638	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+Na+K"	61.952376
"1675980"	195.055338	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Na+K"	61.952376
"262135"	720.332368	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+ACN+Na"	64.015768
"1238490"	392.174068	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+ACN+Na"	64.015768
"1721908"	392.197593	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+NH4+HCOOH"	64.039293
"1189450"	132.375318	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+3Na"	68.967654
"1664567"	397.152988	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Na+HCOOH"	68.994688
"170211"	733.23564	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+2K-H"	76.91904
"606856"	1061.39394	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+2K-H"	76.91904
"1093559"	405.07734	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2K-H"	76.91904
"153662"	367.121458	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"2M+2K"	77.926316
"591035"	531.200608	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"3M+2K"	77.926316
"1075548"	203.042308	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2K"	77.926316
"1104383"	407.091892	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2K+H"	78.933592
"1337114"	407.179507	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+DMSO+H"	79.021207
"1006013"	411.218676	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2ACN+H"	83.060376
"1529612"	412.212308	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+IsoProp+Na+H"	84.054008
"993873"	206.112976	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+2ACN+2H"	84.067652
"1587236"	413.126928	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+K+HCOOH"	84.968628
"1417317"	443.158438	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+H+CF3COOH"	115.000138
"1155260"	226.626251	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+3ACN+2H"	125.094202
"1697111"	460.184985	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+NH4+CF3COOH"	132.026685
"1640462"	465.14038	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+Na+CF3COOH"	136.98208
"1571304"	481.11432	"C12869"	"Suplatast"	"C16H26NO4S"	"328.1583"	"M+K+CF3COOH"	152.95602
"813041"	628.3625	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M"	0
"989005"	609.34411	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-H2O-H"	-19.01839
"72631"	417.901057333333	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M-3H"	-3.021828
"510005"	627.355224	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M-3H"	-3.021828
"887808"	208.446890666667	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-3H"	-3.021828
"9662"	627.355224	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M-2H"	-2.014552
"448131"	941.536474	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M-2H"	-2.014552
"823748"	313.173974	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-2H"	-2.014552
"82648"	1255.717724	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M-H"	-1.007276
"521114"	1884.080224	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M-H"	-1.007276
"900011"	627.355224	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-H"	-1.007276
"56573"	1272.744271	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M-2H+NH4"	16.019271
"493947"	1901.106771	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M-2H+NH4"	16.019271
"869562"	644.381771	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-2H+NH4"	16.019271
"35274"	1277.699666	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M-2H+Na"	20.974666
"474833"	1906.062166	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M-2H+Na"	20.974666
"851540"	649.337166	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-2H+Na"	20.974666
"1619050"	649.337166	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Na-2H"	20.974666
"98700"	645.343563	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M-H+Cl"	33.962126
"544823"	959.524813	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M-H+Cl"	33.962126
"938338"	331.162313	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-H+Cl"	33.962126
"277989"	1291.694402	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+Cl"	34.969402
"670409"	1920.056902	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+Cl"	34.969402
"1283909"	663.331902	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Cl"	34.969402
"20995"	1293.673606	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M-2H+K"	36.948606
"461648"	1922.036106	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M-2H+K"	36.948606
"840551"	665.311106	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-2H+K"	36.948606
"1562942"	665.311106	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+K-2H"	36.948606
"949730"	673.360694	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-H+HCOOH"	44.998194
"370134"	1301.723201	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+HCOOH-H"	44.998201
"349642"	1315.738851	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+Hac-H"	59.013851
"1501753"	687.376351	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Hac-H"	59.013851
"972452"	695.342651	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-H+NaCOOH"	66.980151
"114928"	663.331902	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+2Cl"	69.938804
"553393"	977.513152	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+2Cl"	69.938804
"1021944"	349.150652	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2Cl"	69.938804
"1244319"	707.281385	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Br"	78.918885
"1311874"	709.337372	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Cl+HCOOH"	80.974872
"1321720"	731.319329	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Cl+NaCOOH"	102.956829
"917155"	741.348086	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M-H+CF3COOH"	112.985586
"1292039"	777.324764	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Cl+CF3COOH"	148.962264
"1370933"	593.349824	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H-2H2O"	-35.012676
"1385510"	611.3598	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H-H2O"	-17.0027
"288118"	1257.732276	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+H"	1.007276
"683819"	1886.094776	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+H"	1.007276
"1361262"	629.369776	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H"	1.007276
"139257"	629.369776	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+2H"	2.014552
"572621"	943.551026	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+2H"	2.014552
"1047982"	315.188526	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2H"	2.014552
"211508"	419.915609333333	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+3H"	3.021828
"644992"	629.369776	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+3H"	3.021828
"1167007"	210.461442666667	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+3H"	3.021828
"428092"	1274.758823	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+NH4"	18.033823
"787020"	1903.121323	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+NH4"	18.033823
"1685416"	646.396323	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+NH4"	18.033823
"331867"	637.8830495	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+H+NH4"	19.041099
"724051"	952.0642995	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+H+NH4"	19.041099
"1478844"	323.7017995	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H+NH4"	19.041099
"397525"	1279.714218	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+Na"	22.989218
"757064"	1908.076718	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+Na"	22.989218
"1606619"	651.351718	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Na"	22.989218
"322123"	640.360747	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+H+Na"	23.996494
"710901"	954.541997	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+H+Na"	23.996494
"1465816"	326.179497	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H+Na"	23.996494
"1056510"	217.788756666667	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2H+Na"	25.00377
"1262195"	661.395986	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+CH3OH+H"	33.033486
"378709"	1295.688158	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+K"	38.963158
"748332"	1924.050658	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+K"	38.963158
"1551481"	667.325658	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+K"	38.963158
"308656"	648.347717	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+H+K"	39.970434
"699989"	962.528967	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+H+K"	39.970434
"1455995"	334.166467	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H+K"	39.970434
"245689"	1298.758826	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+ACN+H"	42.033826
"1214025"	670.396326	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+ACN+H"	42.033826
"1196451"	335.701801	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+ACN+2H"	43.041102
"188997"	1301.69616	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+2Na-H"	44.97116
"630341"	1930.05866	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+2Na-H"	44.97116
"1136033"	673.33366	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2Na-H"	44.97116
"174947"	651.351718	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+2Na"	45.978436
"617789"	965.532968	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+2Na"	45.978436
"1129937"	337.170468	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2Na"	45.978436
"1412118"	225.116070666667	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H+2Na"	46.985712
"1441318"	675.375246	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H+HCOOH"	47.012746
"235439"	656.38474	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+3H2O+2H"	56.04448
"1523458"	689.42729	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+IsoProp+H"	61.06479
"423630"	659.338688	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+Na+K"	61.952376
"780856"	973.519938	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+Na+K"	61.952376
"1678280"	345.157438	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Na+K"	61.952376
"265528"	1320.740768	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+ACN+Na"	64.015768
"1232039"	692.378268	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+ACN+Na"	64.015768
"1724205"	692.401793	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+NH4+HCOOH"	64.039293
"1192112"	232.443384666667	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+3Na"	68.967654
"1664927"	697.357188	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Na+HCOOH"	68.994688
"170685"	1333.64404	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+2K-H"	76.91904
"612069"	1962.00654	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+2K-H"	76.91904
"1093670"	705.28154	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2K-H"	76.91904
"154506"	667.325658	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"2M+2K"	77.926316
"593333"	981.506908	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"3M+2K"	77.926316
"1078939"	353.144408	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2K"	77.926316
"1107774"	707.296092	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2K+H"	78.933592
"1341971"	707.383707	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+DMSO+H"	79.021207
"1012688"	711.422876	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2ACN+H"	83.060376
"1526439"	712.416508	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+IsoProp+Na+H"	84.054008
"1000545"	356.215076	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+2ACN+2H"	84.067652
"1595048"	713.331128	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+K+HCOOH"	84.968628
"1428363"	743.362638	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+H+CF3COOH"	115.000138
"1158651"	376.728351	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+3ACN+2H"	125.094202
"1702734"	760.389185	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+NH4+CF3COOH"	132.026685
"1640572"	765.34458	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+Na+CF3COOH"	136.98208
"1571725"	781.31852	"C12871"	"Lopinavir"	"C37H48N4O5"	"628.3625"	"M+K+CF3COOH"	152.95602
"813151"	163.0303	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M"	0
"987778"	144.01191	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-H2O-H"	-19.01839
"69461"	107.679590666667	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M-3H"	-3.021828
"506835"	162.023024	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M-3H"	-3.021828
"883543"	53.3361573333333	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-3H"	-3.021828
"5399"	162.023024	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M-2H"	-2.014552
"444962"	243.538174	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M-2H"	-2.014552
"824951"	80.507874	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-2H"	-2.014552
"86039"	325.053324	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M-H"	-1.007276
"520494"	488.083624	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M-H"	-1.007276
"904495"	162.023024	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-H"	-1.007276
"57413"	342.079871	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M-2H+NH4"	16.019271
"499892"	505.110171	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M-2H+NH4"	16.019271
"874047"	179.049571	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-2H+NH4"	16.019271
"38666"	347.035266	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M-2H+Na"	20.974666
"474944"	510.065566	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M-2H+Na"	20.974666
"851652"	184.004966	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-2H+Na"	20.974666
"1619606"	184.004966	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Na-2H"	20.974666
"102090"	180.011363	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M-H+Cl"	33.962126
"542746"	261.526513	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M-H+Cl"	33.962126
"936261"	98.496213	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-H+Cl"	33.962126
"278098"	361.030002	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+Cl"	34.969402
"667239"	524.060302	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+Cl"	34.969402
"1280735"	197.999702	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Cl"	34.969402
"21105"	363.009206	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M-2H+K"	36.948606
"459571"	526.039506	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M-2H+K"	36.948606
"841754"	199.978906	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-2H+K"	36.948606
"1563053"	199.978906	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+K-2H"	36.948606
"950935"	208.028494	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-H+HCOOH"	44.998194
"370244"	371.058801	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+HCOOH-H"	44.998201
"352304"	385.074451	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+Hac-H"	59.013851
"1502957"	222.044151	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Hac-H"	59.013851
"969404"	230.010451	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-H+NaCOOH"	66.980151
"115402"	197.999702	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+2Cl"	69.938804
"553139"	279.514852	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+2Cl"	69.938804
"1023029"	116.484552	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2Cl"	69.938804
"1243336"	241.949185	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Br"	78.918885
"1305905"	244.005172	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Cl+HCOOH"	80.974872
"1325841"	265.987129	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Cl+NaCOOH"	102.956829
"916172"	276.015886	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M-H+CF3COOH"	112.985586
"1295429"	311.992564	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Cl+CF3COOH"	148.962264
"1369218"	128.017624	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H-2H2O"	-35.012676
"1387808"	146.0276	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H-H2O"	-17.0027
"285676"	327.067876	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+H"	1.007276
"683929"	490.098176	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+H"	1.007276
"1358092"	164.037576	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H"	1.007276
"129889"	164.037576	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+2H"	2.014552
"569451"	245.552726	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+2H"	2.014552
"1046999"	82.522426	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2H"	2.014552
"212712"	109.694142666667	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+3H"	3.021828
"645711"	164.037576	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+3H"	3.021828
"1165050"	55.3507093333333	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+3H"	3.021828
"427109"	344.094423	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+NH4"	18.033823
"789196"	507.124723	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+NH4"	18.033823
"1685526"	181.064123	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+NH4"	18.033823
"335988"	172.5508495	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+H+NH4"	19.041099
"723310"	254.0659995	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+H+NH4"	19.041099
"1477983"	91.0356995	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H+NH4"	19.041099
"397635"	349.049818	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+Na"	22.989218
"759726"	512.080118	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+Na"	22.989218
"1608916"	186.019518	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Na"	22.989218
"321140"	175.028547	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+H+Na"	23.996494
"709675"	256.543697	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+H+Na"	23.996494
"1465198"	93.513397	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H+Na"	23.996494
"1056256"	62.6780233333333	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2H+Na"	25.00377
"1261212"	196.063786	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+CH3OH+H"	33.033486
"378698"	365.023758	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+K"	38.963158
"748442"	528.054058	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+K"	38.963158
"1551592"	201.993458	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+K"	38.963158
"308766"	183.015517	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+H+K"	39.970434
"702285"	264.530667	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+H+K"	39.970434
"1458292"	101.500367	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H+K"	39.970434
"247985"	368.094426	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+ACN+H"	42.033826
"1216321"	205.064126	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+ACN+H"	42.033826
"1197655"	103.035701	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+ACN+2H"	43.041102
"189797"	371.03176	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+2Na-H"	44.97116
"633730"	534.06206	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+2Na-H"	44.97116
"1137237"	208.00146	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2Na-H"	44.97116
"174327"	186.019518	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+2Na"	45.978436
"616805"	267.534668	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+2Na"	45.978436
"1129314"	104.504368	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2Na"	45.978436
"1410772"	70.0053373333333	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H+2Na"	46.985712
"1441428"	210.043046	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H+HCOOH"	47.012746
"234901"	191.05254	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+3H2O+2H"	56.04448
"1523079"	224.09509	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+IsoProp+H"	61.06479
"423376"	194.006488	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+Na+K"	61.952376
"783882"	275.521638	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+Na+K"	61.952376
"1678026"	112.491338	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Na+K"	61.952376
"266002"	390.076368	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+ACN+Na"	64.015768
"1232149"	227.046068	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+ACN+Na"	64.015768
"1724680"	227.069593	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+NH4+HCOOH"	64.039293
"1190399"	77.3326513333333	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+3Na"	68.967654
"1664544"	232.024988	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Na+HCOOH"	68.994688
"170674"	402.97964	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+2K-H"	76.91904
"611937"	566.00994	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+2K-H"	76.91904
"1094873"	239.94934	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2K-H"	76.91904
"155344"	201.993458	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"2M+2K"	77.926316
"592349"	283.508608	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"3M+2K"	77.926316
"1080142"	120.478308	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2K"	77.926316
"1107884"	241.963892	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2K+H"	78.933592
"1340988"	242.051507	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+DMSO+H"	79.021207
"1012798"	246.090676	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2ACN+H"	83.060376
"1526549"	247.084308	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+IsoProp+Na+H"	84.054008
"1003935"	123.548976	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+2ACN+2H"	84.067652
"1598438"	247.998928	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+K+HCOOH"	84.968628
"1426287"	278.030438	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+H+CF3COOH"	115.000138
"1158761"	144.062251	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+3ACN+2H"	125.094202
"1702844"	295.056985	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+NH4+CF3COOH"	132.026685
"1640682"	300.01238	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+Na+CF3COOH"	136.98208
"1571714"	315.98632	"C12876"	"Tiopronin"	"C5H9NO3S"	"163.0303"	"M+K+CF3COOH"	152.95602
"806700"	361.1809	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M"	0
"988983"	342.16251	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-H2O-H"	-19.01839
"72851"	239.779990666667	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M-3H"	-3.021828
"506945"	360.173624	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M-3H"	-3.021828
"883653"	119.386357333333	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-3H"	-3.021828
"6601"	360.173624	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M-2H"	-2.014552
"448351"	540.764074	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M-2H"	-2.014552
"825058"	179.583174	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-2H"	-2.014552
"87242"	721.354524	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M-H"	-1.007276
"520241"	1082.535424	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M-H"	-1.007276
"903511"	360.173624	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-H"	-1.007276
"55700"	738.381071	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M-2H+NH4"	16.019271
"498541"	1099.561971	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M-2H+NH4"	16.019271
"875616"	377.200171	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-2H+NH4"	16.019271
"40963"	743.336466	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M-2H+Na"	20.974666
"478334"	1104.517366	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M-2H+Na"	20.974666
"855042"	382.155566	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-2H+Na"	20.974666
"1622391"	382.155566	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Na-2H"	20.974666
"105480"	378.161963	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M-H+Cl"	33.962126
"542856"	558.752413	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M-H+Cl"	33.962126
"936371"	197.571513	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-H+Cl"	33.962126
"278208"	757.331202	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+Cl"	34.969402
"668442"	1118.512102	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+Cl"	34.969402
"1281938"	396.150302	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Cl"	34.969402
"21215"	759.310406	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M-2H+K"	36.948606
"459681"	1120.491306	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M-2H+K"	36.948606
"837121"	398.129506	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-2H+K"	36.948606
"1565350"	398.129506	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+K-2H"	36.948606
"947765"	406.179094	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-H+HCOOH"	44.998194
"367074"	767.360001	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+HCOOH-H"	44.998201
"352414"	781.375651	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+Hac-H"	59.013851
"1499787"	420.194751	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Hac-H"	59.013851
"968420"	428.161051	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-H+NaCOOH"	66.980151
"115512"	396.150302	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+2Cl"	69.938804
"553977"	576.740752	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+2Cl"	69.938804
"1024232"	215.559852	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2Cl"	69.938804
"1244539"	440.099785	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Br"	78.918885
"1306987"	442.155772	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Cl+HCOOH"	80.974872
"1328500"	464.137729	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Cl+NaCOOH"	102.956829
"919562"	474.166486	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M-H+CF3COOH"	112.985586
"1294446"	510.143164	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Cl+CF3COOH"	148.962264
"1369328"	326.168224	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H-2H2O"	-35.012676
"1388646"	344.1782	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H-H2O"	-17.0027
"285422"	723.369076	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+H"	1.007276
"684039"	1084.549976	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+H"	1.007276
"1358202"	362.188176	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H"	1.007276
"135466"	362.188176	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+2H"	2.014552
"572841"	542.778626	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+2H"	2.014552
"1044923"	181.597726	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2H"	2.014552
"211730"	241.794542666667	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+3H"	3.021828
"650194"	362.188176	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+3H"	3.021828
"1165040"	121.400909333333	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+3H"	3.021828
"428312"	740.395623	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+NH4"	18.033823
"789306"	1101.576523	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+NH4"	18.033823
"1686729"	379.214723	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+NH4"	18.033823
"338285"	370.7014495	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+H+NH4"	19.041099
"724027"	551.2918995	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+H+NH4"	19.041099
"1480158"	190.1109995	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H+NH4"	19.041099
"398839"	745.351018	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+Na"	22.989218
"759833"	1106.531918	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+Na"	22.989218
"1606839"	384.170118	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Na"	22.989218
"317239"	373.179147	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+H+Na"	23.996494
"713672"	553.769597	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+H+Na"	23.996494
"1466398"	192.588697	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H+Na"	23.996494
"1059644"	128.728223333333	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2H+Na"	25.00377
"1262415"	394.214386	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+CH3OH+H"	33.033486
"382086"	761.324958	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+K"	38.963158
"745272"	1122.505858	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+K"	38.963158
"1549514"	400.144058	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+K"	38.963158
"305596"	381.166117	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+H+K"	39.970434
"704582"	561.756567	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+H+K"	39.970434
"1458402"	200.575667	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H+K"	39.970434
"249188"	764.395626	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+ACN+H"	42.033826
"1215337"	403.214726	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+ACN+H"	42.033826
"1200317"	202.111001	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+ACN+2H"	43.041102
"197559"	767.33296	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+2Na-H"	44.97116
"637119"	1128.51386	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+2Na-H"	44.97116
"1139533"	406.15206	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2Na-H"	44.97116
"177354"	384.170118	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+2Na"	45.978436
"619102"	564.760568	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+2Na"	45.978436
"1129181"	203.579668	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2Na"	45.978436
"1411610"	136.055537333333	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H+2Na"	46.985712
"1437163"	408.193646	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H+HCOOH"	47.012746
"233787"	389.20314	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+3H2O+2H"	56.04448
"1523557"	422.24569	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+IsoProp+H"	61.06479
"422633"	392.157088	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+Na+K"	61.952376
"781807"	572.747538	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+Na+K"	61.952376
"1676314"	211.566638	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Na+K"	61.952376
"264290"	786.377568	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+ACN+Na"	64.015768
"1235539"	425.196668	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+ACN+Na"	64.015768
"1721145"	425.220193	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+NH4+HCOOH"	64.039293
"1191968"	143.382851333333	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+3Na"	68.967654
"1664896"	430.175588	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Na+HCOOH"	68.994688
"171150"	799.28084	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+2K-H"	76.91904
"612168"	1160.46174	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+2K-H"	76.91904
"1096076"	438.09994	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2K-H"	76.91904
"152902"	400.144058	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"2M+2K"	77.926316
"589179"	580.734508	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"3M+2K"	77.926316
"1076972"	219.553608	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2K"	77.926316
"1107994"	440.114492	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2K+H"	78.933592
"1341098"	440.202107	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+DMSO+H"	79.021207
"1012908"	444.241276	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2ACN+H"	83.060376
"1528846"	445.234908	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+IsoProp+Na+H"	84.054008
"1000766"	222.624276	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+2ACN+2H"	84.067652
"1598549"	446.149528	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+K+HCOOH"	84.968628
"1427490"	476.181038	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+H+CF3COOH"	115.000138
"1158871"	243.137551	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+3ACN+2H"	125.094202
"1702954"	493.207585	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+NH4+CF3COOH"	132.026685
"1639699"	498.16298	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+Na+CF3COOH"	136.98208
"1573161"	514.13692	"C12886"	"Dialicor;Etafenone hydrochloride"	"C21H27NO2HCl"	"361.1809"	"M+K+CF3COOH"	152.95602
"806810"	462.2254	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M"	0
"989782"	443.20701	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-H2O-H"	-19.01839
"72960"	307.142990666667	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M-3H"	-3.021828
"510334"	461.218124	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M-3H"	-3.021828
"884856"	153.067857333333	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-3H"	-3.021828
"8899"	461.218124	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M-2H"	-2.014552
"446274"	692.330824	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M-2H"	-2.014552
"827354"	230.105424	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-2H"	-2.014552
"86259"	923.443524	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M-H"	-1.007276
"522538"	1385.668924	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M-H"	-1.007276
"902528"	461.218124	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-H"	-1.007276
"59091"	940.470071	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M-2H+NH4"	16.019271
"497558"	1402.695471	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M-2H+NH4"	16.019271
"874267"	478.244671	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-2H+NH4"	16.019271
"42166"	945.425466	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M-2H+Na"	20.974666
"476257"	1407.650866	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M-2H+Na"	20.974666
"855152"	483.200066	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-2H+Na"	20.974666
"1623591"	483.200066	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Na-2H"	20.974666
"103403"	479.206463	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M-H+Cl"	33.962126
"537497"	710.319163	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M-H+Cl"	33.962126
"929916"	248.093763	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-H+Cl"	33.962126
"268838"	959.420202	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+Cl"	34.969402
"666365"	1421.645602	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+Cl"	34.969402
"1282048"	497.194802	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Cl"	34.969402
"23511"	961.399406	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M-2H+K"	36.948606
"460884"	1423.624806	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M-2H+K"	36.948606
"841969"	499.174006	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-2H+K"	36.948606
"1564367"	499.174006	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+K-2H"	36.948606
"948968"	507.223594	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-H+HCOOH"	44.998194
"367184"	969.449001	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+HCOOH-H"	44.998201
"352524"	983.464651	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+Hac-H"	59.013851
"1499897"	521.239251	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Hac-H"	59.013851
"965250"	529.205551	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-H+NaCOOH"	66.980151
"115622"	497.194802	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+2Cl"	69.938804
"555180"	728.307502	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+2Cl"	69.938804
"1023978"	266.082102	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2Cl"	69.938804
"1244285"	541.144285	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Br"	78.918885
"1304312"	543.200272	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Cl+HCOOH"	80.974872
"1325694"	565.182229	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Cl+NaCOOH"	102.956829
"919672"	575.210986	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M-H+CF3COOH"	112.985586
"1292733"	611.187664	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Cl+CF3COOH"	148.962264
"1371990"	427.212724	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H-2H2O"	-35.012676
"1386569"	445.2227	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H-H2O"	-17.0027
"288446"	925.458076	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+H"	1.007276
"686335"	1387.683476	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+H"	1.007276
"1359404"	463.232676	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H"	1.007276
"132294"	463.232676	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+2H"	2.014552
"568577"	694.345376	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+2H"	2.014552
"1045031"	232.119976	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2H"	2.014552
"211839"	309.157542666667	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+3H"	3.021828
"650305"	463.232676	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+3H"	3.021828
"1167338"	155.082409333333	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+3H"	3.021828
"428420"	942.484623	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+NH4"	18.033823
"791603"	1404.710023	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+NH4"	18.033823
"1691211"	480.259223	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+NH4"	18.033823
"339489"	471.7459495	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+H+NH4"	19.041099
"725353"	702.8586495	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+H+NH4"	19.041099
"1478928"	240.6332495	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H+NH4"	19.041099
"394328"	947.440018	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+Na"	22.989218
"758850"	1409.665418	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+Na"	22.989218
"1605855"	485.214618	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Na"	22.989218
"316255"	474.223647	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+H+Na"	23.996494
"712688"	705.336347	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+H+Na"	23.996494
"1463228"	243.110947	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H+Na"	23.996494
"1058660"	162.409723333333	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2H+Na"	25.00377
"1260338"	495.258886	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+CH3OH+H"	33.033486
"384382"	963.413958	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+K"	38.963158
"743195"	1425.639358	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+K"	38.963158
"1552904"	501.188558	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+K"	38.963158
"310080"	482.210617	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+H+K"	39.970434
"704692"	713.323317	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+H+K"	39.970434
"1459605"	251.097917	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H+K"	39.970434
"250391"	966.484626	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+ACN+H"	42.033826
"1217633"	504.259226	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+ACN+H"	42.033826
"1203705"	252.633251	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+ACN+2H"	43.041102
"197669"	969.42196	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+2Na-H"	44.97116
"636136"	1431.64736	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+2Na-H"	44.97116
"1141829"	507.19656	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2Na-H"	44.97116
"174305"	485.214618	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+2Na"	45.978436
"617025"	716.327318	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+2Na"	45.978436
"1128195"	254.101918	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2Na"	45.978436
"1408438"	169.737037333333	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H+2Na"	46.985712
"1440553"	509.238146	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H+HCOOH"	47.012746
"233530"	490.24764	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+3H2O+2H"	56.04448
"1522690"	523.29019	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+IsoProp+H"	61.06479
"416905"	493.201588	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+Na+K"	61.952376
"782645"	724.314288	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+Na+K"	61.952376
"1679340"	262.088888	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Na+K"	61.952376
"265129"	988.466568	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+ACN+Na"	64.015768
"1234556"	526.241168	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+ACN+Na"	64.015768
"1719068"	526.264693	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+NH4+HCOOH"	64.039293
"1191713"	177.064351333333	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+3Na"	68.967654
"1660874"	531.220088	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Na+HCOOH"	68.994688
"171987"	1001.36984	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+2K-H"	76.91904
"609482"	1463.59524	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+2K-H"	76.91904
"1096186"	539.14444	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2K-H"	76.91904
"153013"	501.188558	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"2M+2K"	77.926316
"590383"	732.301258	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"3M+2K"	77.926316
"1075989"	270.075858	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2K"	77.926316
"1109198"	541.158992	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2K+H"	78.933592
"1343395"	541.246607	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+DMSO+H"	79.021207
"1015205"	545.285776	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2ACN+H"	83.060376
"1530050"	546.279408	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+IsoProp+Na+H"	84.054008
"999783"	273.146526	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+2ACN+2H"	84.067652
"1596473"	547.194028	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+K+HCOOH"	84.968628
"1426507"	577.225538	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+H+CF3COOH"	115.000138
"1157888"	293.659801	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+3ACN+2H"	125.094202
"1703064"	594.252085	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+NH4+CF3COOH"	132.026685
"1639809"	599.20748	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+Na+CF3COOH"	136.98208
"1572178"	615.18142	"C12888"	"Hydrocortisone succinate;11beta1721-Trihydroxypregn-4-ene-320-dione 21-(hydrogensuccinate);Cortisol succinate"	"C25H34O8"	"462.2254"	"M+K+CF3COOH"	152.95602
"806920"	187.1572	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M"	0
"989083"	168.13881	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-H2O-H"	-19.01839
"73070"	123.764190666667	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M-3H"	-3.021828
"508258"	186.149924	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M-3H"	-3.021828
"884966"	61.3784573333333	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-3H"	-3.021828
"10102"	186.149924	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M-2H"	-2.014552
"446384"	279.728524	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M-2H"	-2.014552
"825278"	92.571324	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-2H"	-2.014552
"86369"	373.307124	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M-H"	-1.007276
"521555"	560.464324	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M-H"	-1.007276
"902638"	186.149924	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-H"	-1.007276
"55920"	390.333671	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M-2H+NH4"	16.019271
"495480"	577.490871	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M-2H+NH4"	16.019271
"874377"	203.176471	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-2H+NH4"	16.019271
"43005"	395.289066	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M-2H+Na"	20.974666
"475274"	582.446266	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M-2H+Na"	20.974666
"853075"	208.131866	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-2H+Na"	20.974666
"1621515"	208.131866	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Na-2H"	20.974666
"102420"	204.138263	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M-H+Cl"	33.962126
"536148"	297.716863	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M-H+Cl"	33.962126
"932213"	110.559663	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-H+Cl"	33.962126
"268948"	409.283802	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+Cl"	34.969402
"666475"	596.441002	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+Cl"	34.969402
"1276690"	222.126602	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Cl"	34.969402
"19246"	411.263006	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M-2H+K"	36.948606
"458806"	598.420206	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M-2H+K"	36.948606
"840255"	224.105806	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-2H+K"	36.948606
"1563381"	224.105806	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+K-2H"	36.948606
"949078"	232.155394	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-H+HCOOH"	44.998194
"367294"	419.312601	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+HCOOH-H"	44.998201
"349716"	433.328251	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+Hac-H"	59.013851
"1497817"	246.171051	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Hac-H"	59.013851
"962444"	254.137351	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-H+NaCOOH"	66.980151
"114273"	222.126602	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+2Cl"	69.938804
"555655"	315.705202	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+2Cl"	69.938804
"1022995"	128.548002	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2Cl"	69.938804
"1241843"	266.076085	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Br"	78.918885
"1304769"	268.132072	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Cl+HCOOH"	80.974872
"1322888"	290.114029	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Cl+NaCOOH"	102.956829
"918689"	300.142786	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M-H+CF3COOH"	112.985586
"1293208"	336.119464	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Cl+CF3COOH"	148.962264
"1371372"	152.144524	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H-2H2O"	-35.012676
"1388866"	170.1545	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H-H2O"	-17.0027
"285273"	375.321676	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+H"	1.007276
"685351"	562.478876	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+H"	1.007276
"1359514"	188.164476	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H"	1.007276
"126936"	188.164476	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+2H"	2.014552
"573060"	281.743076	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+2H"	2.014552
"1045139"	94.585876	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2H"	2.014552
"215229"	125.778742666667	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+3H"	3.021828
"647133"	188.164476	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+3H"	3.021828
"1171819"	63.3930093333333	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+3H"	3.021828
"427437"	392.348223	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+NH4"	18.033823
"792806"	579.505423	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+NH4"	18.033823
"1690229"	205.191023	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+NH4"	18.033823
"337412"	196.6777495	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+H+NH4"	19.041099
"725463"	290.2563495	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+H+NH4"	19.041099
"1478553"	103.0991495	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H+NH4"	19.041099
"393590"	397.303618	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+Na"	22.989218
"755312"	584.460818	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+Na"	22.989218
"1605963"	210.146418	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Na"	22.989218
"316000"	199.155447	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+H+Na"	23.996494
"711705"	292.734047	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+H+Na"	23.996494
"1463338"	105.576847	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H+Na"	23.996494
"1058770"	70.7203233333333	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2H+Na"	25.00377
"1257448"	220.190686	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+CH3OH+H"	33.033486
"385585"	413.277558	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+K"	38.963158
"745491"	600.434758	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+K"	38.963158
"1549734"	226.120358	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+K"	38.963158
"305816"	207.142417	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+H+K"	39.970434
"700427"	300.721017	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+H+K"	39.970434
"1459715"	113.563817	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H+K"	39.970434
"248315"	416.348226	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+ACN+H"	42.033826
"1216649"	229.191026	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+ACN+H"	42.033826
"1202721"	115.099151	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+ACN+2H"	43.041102
"196685"	419.28556	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+2Na-H"	44.97116
"637339"	606.44276	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+2Na-H"	44.97116
"1135377"	232.12836	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2Na-H"	44.97116
"173923"	210.146418	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+2Na"	45.978436
"617135"	303.725018	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+2Na"	45.978436
"1123930"	116.567818	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2Na"	45.978436
"1409641"	78.0476373333333	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H+2Na"	46.985712
"1439570"	234.169946	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H+HCOOH"	47.012746
"232547"	215.17944	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+3H2O+2H"	56.04448
"1523164"	248.22199	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+IsoProp+H"	61.06479
"417015"	218.133388	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+Na+K"	61.952376
"783484"	311.711988	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+Na+K"	61.952376
"1680543"	124.554788	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Na+K"	61.952376
"265239"	438.330168	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+ACN+Na"	64.015768
"1233573"	251.172968	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+ACN+Na"	64.015768
"1721364"	251.196493	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+NH4+HCOOH"	64.039293
"1191823"	85.3749513333333	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+3Na"	68.967654
"1663901"	256.151888	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Na+HCOOH"	68.994688
"171492"	451.23344	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+2K-H"	76.91904
"607405"	638.39064	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+2K-H"	76.91904
"1094109"	264.07624	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2K-H"	76.91904
"152027"	226.120358	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"2M+2K"	77.926316
"591585"	319.698958	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"3M+2K"	77.926316
"1078285"	132.541758	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2K"	77.926316
"1104933"	266.090792	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2K+H"	78.933592
"1344598"	266.178407	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+DMSO+H"	79.021207
"1008754"	270.217576	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2ACN+H"	83.060376
"1530160"	271.211208	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+IsoProp+Na+H"	84.054008
"1002809"	135.612426	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+2ACN+2H"	84.067652
"1597676"	272.125828	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+K+HCOOH"	84.968628
"1427710"	302.157338	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+H+CF3COOH"	115.000138
"1157998"	156.125701	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+3ACN+2H"	125.094202
"1703174"	319.183885	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+NH4+CF3COOH"	132.026685
"1639919"	324.13928	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+Na+CF3COOH"	136.98208
"1572288"	340.11322	"C12889"	"n-Decanohydroxamic acid;Decanohydroxamic acid"	"C10H21NO2"	"187.1572"	"M+K+CF3COOH"	152.95602
"807030"	884.5246	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M"	0
"989681"	865.50621	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-H2O-H"	-19.01839
"76461"	588.675790666667	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M-3H"	-3.021828
"508368"	883.517324	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M-3H"	-3.021828
"883983"	293.834257333333	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-3H"	-3.021828
"9119"	883.517324	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M-2H"	-2.014552
"444308"	1325.779624	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M-2H"	-2.014552
"821016"	441.255024	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-2H"	-2.014552
"86479"	1768.041924	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M-H"	-1.007276
"519720"	2652.566524	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M-H"	-1.007276
"898375"	883.517324	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-H"	-1.007276
"52750"	1785.068471	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M-2H+NH4"	16.019271
"488057"	2669.593071	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M-2H+NH4"	16.019271
"866830"	900.543871	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-2H+NH4"	16.019271
"33637"	1790.023866	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M-2H+Na"	20.974666
"472224"	2674.548466	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M-2H+Na"	20.974666
"850998"	905.499266	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-2H+Na"	20.974666
"1621623"	905.499266	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Na-2H"	20.974666
"94709"	901.505663	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M-H+Cl"	33.962126
"535161"	1343.767963	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M-H+Cl"	33.962126
"927338"	459.243363	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-H+Cl"	33.962126
"268814"	1804.018602	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+Cl"	34.969402
"665492"	2688.543202	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+Cl"	34.969402
"1275707"	919.494002	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Cl"	34.969402
"18263"	1805.997806	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M-2H+K"	36.948606
"458917"	2690.522406	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M-2H+K"	36.948606
"836356"	921.473206	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-2H+K"	36.948606
"1562398"	921.473206	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+K-2H"	36.948606
"949187"	929.522794	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-H+HCOOH"	44.998194
"368132"	1814.047401	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+HCOOH-H"	44.998201
"347639"	1828.063051	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+Hac-H"	59.013851
"1493189"	943.538451	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Hac-H"	59.013851
"963648"	951.504751	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-H+NaCOOH"	66.980151
"115476"	919.494002	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+2Cl"	69.938804
"551754"	1361.756302	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+2Cl"	69.938804
"1021379"	477.231702	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2Cl"	69.938804
"1241458"	963.443485	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Br"	78.918885
"1304520"	965.499472	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Cl+HCOOH"	80.974872
"1325914"	987.481429	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Cl+NaCOOH"	102.956829
"920986"	997.510186	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M-H+CF3COOH"	112.985586
"1293682"	1033.486864	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Cl+CF3COOH"	148.962264
"1371846"	849.511924	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H-2H2O"	-35.012676
"1388246"	867.5219	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H-H2O"	-17.0027
"285380"	1770.056476	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+H"	1.007276
"679261"	2654.581076	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+H"	1.007276
"1354520"	885.531876	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H"	1.007276
"126678"	885.531876	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+2H"	2.014552
"565999"	1327.794176	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+2H"	2.014552
"1040874"	443.269576	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2H"	2.014552
"208775"	590.690342666667	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+3H"	3.021828
"646147"	885.531876	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+3H"	3.021828
"1165367"	295.848809333333	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+3H"	3.021828
"427546"	1787.083023	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+NH4"	18.033823
"791822"	2671.607623	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+NH4"	18.033823
"1685965"	902.558423	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+NH4"	18.033823
"335336"	894.0451495	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+H+NH4"	19.041099
"724480"	1336.3074495	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+H+NH4"	19.041099
"1477445"	451.7828495	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H+NH4"	19.041099
"394064"	1792.038418	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+Na"	22.989218
"754608"	2676.563018	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+Na"	22.989218
"1604008"	907.513818	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Na"	22.989218
"316475"	896.522847	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+H+Na"	23.996494
"710721"	1338.785147	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+H+Na"	23.996494
"1463448"	454.260547	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H+Na"	23.996494
"1058880"	303.176123333333	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2H+Na"	25.00377
"1258003"	917.558086	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+CH3OH+H"	33.033486
"383509"	1808.012358	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+K"	38.963158
"744508"	2692.536958	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+K"	38.963158
"1546564"	923.487758	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+K"	38.963158
"305926"	904.509817	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+H+K"	39.970434
"703454"	1346.772117	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+H+K"	39.970434
"1455451"	462.247517	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H+K"	39.970434
"245146"	1811.083026	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+ACN+H"	42.033826
"1214573"	926.558426	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+ACN+H"	42.033826
"1199550"	463.782851	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+ACN+2H"	43.041102
"191689"	1814.02036	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+2Na-H"	44.97116
"630887"	2698.54496	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+2Na-H"	44.97116
"1135487"	929.49576	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2Na-H"	44.97116
"175494"	907.513818	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+2Na"	45.978436
"617245"	1349.776118	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+2Na"	45.978436
"1124039"	465.251518	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2Na"	45.978436
"1406469"	310.503437333333	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H+2Na"	46.985712
"1439674"	931.537346	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H+HCOOH"	47.012746
"224998"	912.54684	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+3H2O+2H"	56.04448
"1513061"	945.58939	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+IsoProp+H"	61.06479
"416029"	915.500788	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+Na+K"	61.952376
"779216"	1357.763088	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+Na+K"	61.952376
"1675547"	473.238488	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Na+K"	61.952376
"256597"	1833.064968	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+ACN+Na"	64.015768
"1235868"	948.540368	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+ACN+Na"	64.015768
"1719286"	948.563893	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+NH4+HCOOH"	64.039293
"1184641"	317.830751333333	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+3Na"	68.967654
"1660001"	953.519288	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Na+HCOOH"	68.994688
"167956"	1845.96824	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+2K-H"	76.91904
"607515"	2730.49284	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+2K-H"	76.91904
"1092032"	961.44364	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2K-H"	76.91904
"150678"	923.487758	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"2M+2K"	77.926316
"587321"	1365.750058	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"3M+2K"	77.926316
"1078396"	481.225458	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2K"	77.926316
"1105043"	963.458192	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2K+H"	78.933592
"1338146"	963.545807	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+DMSO+H"	79.021207
"1011050"	967.584976	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2ACN+H"	83.060376
"1526989"	968.578608	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+IsoProp+Na+H"	84.054008
"1001462"	484.296126	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+2ACN+2H"	84.067652
"1597786"	969.493228	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+K+HCOOH"	84.968628
"1427820"	999.524738	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+H+CF3COOH"	115.000138
"1158108"	504.809401	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+3ACN+2H"	125.094202
"1703284"	1016.551285	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+NH4+CF3COOH"	132.026685
"1641122"	1021.50668	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+Na+CF3COOH"	136.98208
"1572398"	1037.48062	"C12891"	"Acetylspiramycin;Spiramycin II"	"C45H76N2O15"	"884.5246"	"M+K+CF3COOH"	152.95602
"807140"	83.9698	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M"	0
"989506"	64.95141	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-H2O-H"	-19.01839
"77664"	54.9725906666667	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M-3H"	-3.021828
"510665"	82.962524	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M-3H"	-3.021828
"887372"	26.9826573333333	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-3H"	-3.021828
"12508"	82.962524	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M-2H"	-2.014552
"447696"	124.947424	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M-2H"	-2.014552
"823311"	40.977624	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-2H"	-2.014552
"86589"	166.932324	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M-H"	-1.007276
"525055"	250.902124	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M-H"	-1.007276
"899578"	82.962524	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-H"	-1.007276
"50673"	183.958871	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M-2H+NH4"	16.019271
"488288"	267.928671	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M-2H+NH4"	16.019271
"871314"	99.989071	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-2H+NH4"	16.019271
"33747"	188.914266	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M-2H+Na"	20.974666
"472455"	272.884066	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M-2H+Na"	20.974666
"850135"	104.944466	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-2H+Na"	20.974666
"1618734"	104.944466	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Na-2H"	20.974666
"94737"	100.950863	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M-H+Cl"	33.962126
"535878"	142.935763	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M-H+Cl"	33.962126
"927566"	58.965963	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-H+Cl"	33.962126
"268803"	202.909002	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+Cl"	34.969402
"665602"	286.878802	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+Cl"	34.969402
"1276910"	118.939202	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Cl"	34.969402
"18373"	204.888206	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M-2H+K"	36.948606
"460120"	288.858006	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M-2H+K"	36.948606
"837559"	120.918406	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-2H+K"	36.948606
"1562506"	120.918406	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+K-2H"	36.948606
"950026"	128.967994	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-H+HCOOH"	44.998194
"367148"	212.937801	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+HCOOH-H"	44.998201
"351395"	226.953451	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+Hac-H"	59.013851
"1494029"	142.983651	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Hac-H"	59.013851
"963393"	150.949951	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-H+NaCOOH"	66.980151
"114859"	118.939202	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+2Cl"	69.938804
"550767"	160.924102	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+2Cl"	69.938804
"1021996"	76.954302	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2Cl"	69.938804
"1241523"	162.888685	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Br"	78.918885
"1305238"	164.944672	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Cl+HCOOH"	80.974872
"1325294"	186.926629	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Cl+NaCOOH"	102.956829
"917816"	196.955386	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M-H+CF3COOH"	112.985586
"1295615"	232.932064	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Cl+CF3COOH"	148.962264
"1371592"	48.957124	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H-2H2O"	-35.012676
"1386534"	66.9671	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H-H2O"	-17.0027
"284760"	168.946876	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+H"	1.007276
"678276"	252.916676	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+H"	1.007276
"1354266"	84.977076	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H"	1.007276
"126789"	84.977076	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+2H"	2.014552
"567809"	126.961976	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+2H"	2.014552
"1042077"	42.992176	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2H"	2.014552
"213258"	56.9871426666667	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+3H"	3.021828
"645892"	84.977076	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+3H"	3.021828
"1166570"	28.9972093333333	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+3H"	3.021828
"429842"	185.973423	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+NH4"	18.033823
"788651"	269.943223	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+NH4"	18.033823
"1687169"	102.003623	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+NH4"	18.033823
"334717"	93.4903495	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+H+NH4"	19.041099
"724954"	135.4752495	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+H+NH4"	19.041099
"1477918"	51.5054495	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H+NH4"	19.041099
"394537"	190.928818	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+Na"	22.989218
"754800"	274.898618	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+Na"	22.989218
"1605087"	106.959018	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Na"	22.989218
"314877"	95.968047	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+H+Na"	23.996494
"709737"	137.952947	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+H+Na"	23.996494
"1462824"	53.983147	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H+Na"	23.996494
"1054979"	36.3245233333333	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2H+Na"	25.00377
"1258114"	117.003286	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+CH3OH+H"	33.033486
"382527"	206.902758	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+K"	38.963158
"744618"	290.872558	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+K"	38.963158
"1546674"	122.932958	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+K"	38.963158
"306036"	103.955017	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+H+K"	39.970434
"698460"	145.939917	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+H+K"	39.970434
"1452279"	61.970117	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H+K"	39.970434
"245253"	209.973426	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+ACN+H"	42.033826
"1214684"	126.003626	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+ACN+H"	42.033826
"1199660"	63.505451	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+ACN+2H"	43.041102
"190098"	212.91076	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+2Na-H"	44.97116
"630145"	296.88056	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+2Na-H"	44.97116
"1135597"	128.94096	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2Na-H"	44.97116
"174025"	106.959018	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+2Na"	45.978436
"617355"	148.943918	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+2Na"	45.978436
"1128159"	64.974118	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2Na"	45.978436
"1408402"	43.6518373333333	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H+2Na"	46.985712
"1438693"	130.982546	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H+HCOOH"	47.012746
"227295"	111.99204	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+3H2O+2H"	56.04448
"1516087"	145.03459	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+IsoProp+H"	61.06479
"416139"	114.945988	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+Na+K"	61.952376
"780419"	156.930888	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+Na+K"	61.952376
"1676750"	72.961088	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Na+K"	61.952376
"258894"	231.955368	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+ACN+Na"	64.015768
"1235978"	147.985568	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+ACN+Na"	64.015768
"1721583"	148.009093	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+NH4+HCOOH"	64.039293
"1188031"	50.9791513333333	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+3Na"	68.967654
"1664972"	152.964488	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Na+HCOOH"	68.994688
"171347"	244.85864	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+2K-H"	76.91904
"607625"	328.82844	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+2K-H"	76.91904
"1096515"	160.88884	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2K-H"	76.91904
"148603"	122.932958	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"2M+2K"	77.926316
"586339"	164.917858	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"3M+2K"	77.926316
"1075226"	80.948058	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2K"	77.926316
"1107340"	162.903392	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2K+H"	78.933592
"1340445"	162.991007	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+DMSO+H"	79.021207
"1010064"	167.030176	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2ACN+H"	83.060376
"1532567"	168.023808	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+IsoProp+Na+H"	84.054008
"1001572"	84.018726	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+2ACN+2H"	84.067652
"1592429"	168.938428	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+K+HCOOH"	84.968628
"1425743"	198.969938	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+H+CF3COOH"	115.000138
"1157124"	104.532001	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+3ACN+2H"	125.094202
"1706674"	215.996485	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+NH4+CF3COOH"	132.026685
"1641232"	220.95188	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+Na+CF3COOH"	136.98208
"1572508"	236.92582	"C12893"	"Magnesium carbonate;Magnesium carbonate anhydrous"	"MgCO3"	"83.9698"	"M+K+CF3COOH"	152.95602
"807250"	562.3155	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M"	0
"989917"	543.29711	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-H2O-H"	-19.01839
"76681"	373.869724	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M-3H"	-3.021828
"508588"	561.308224	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M-3H"	-3.021828
"884203"	186.431224	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-3H"	-3.021828
"10432"	561.308224	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M-2H"	-2.014552
"446713"	842.465974	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M-2H"	-2.014552
"823421"	280.150474	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-2H"	-2.014552
"88887"	1123.623724	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M-H"	-1.007276
"526258"	1685.939224	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M-H"	-1.007276
"897502"	561.308224	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-H"	-1.007276
"50784"	1140.650271	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M-2H+NH4"	16.019271
"489250"	1702.965771	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M-2H+NH4"	16.019271
"870331"	578.334771	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-2H+NH4"	16.019271
"33857"	1145.605666	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M-2H+Na"	20.974666
"473779"	1707.921166	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M-2H+Na"	20.974666
"851218"	583.290166	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-2H+Na"	20.974666
"1619533"	583.290166	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Na-2H"	20.974666
"96185"	579.296563	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M-H+Cl"	33.962126
"535258"	860.454313	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M-H+Cl"	33.962126
"927354"	298.138813	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-H+Cl"	33.962126
"268061"	1159.600402	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+Cl"	34.969402
"662791"	1721.915902	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+Cl"	34.969402
"1277020"	597.284902	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Cl"	34.969402
"18483"	1161.579606	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M-2H+K"	36.948606
"460230"	1723.895106	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M-2H+K"	36.948606
"836576"	599.264106	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-2H+K"	36.948606
"1559336"	599.264106	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+K-2H"	36.948606
"950136"	607.313694	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-H+HCOOH"	44.998194
"366529"	1169.629201	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+HCOOH-H"	44.998201
"348953"	1183.644851	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+Hac-H"	59.013851
"1494139"	621.329351	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Hac-H"	59.013851
"962410"	629.295651	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-H+NaCOOH"	66.980151
"116425"	597.284902	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+2Cl"	69.938804
"550757"	878.442652	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+2Cl"	69.938804
"1021534"	316.127152	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2Cl"	69.938804
"1241680"	641.234385	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Br"	78.918885
"1304735"	643.290372	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Cl+HCOOH"	80.974872
"1329049"	665.272329	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Cl+NaCOOH"	102.956829
"919019"	675.301086	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M-H+CF3COOH"	112.985586
"1299006"	711.277764	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Cl+CF3COOH"	148.962264
"1370239"	527.302824	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H-2H2O"	-35.012676
"1385917"	545.3128	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H-H2O"	-17.0027
"285605"	1125.638276	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+H"	1.007276
"678026"	1687.953776	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+H"	1.007276
"1354374"	563.322776	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H"	1.007276
"128724"	563.322776	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+2H"	2.014552
"570471"	844.480526	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+2H"	2.014552
"1044374"	282.165026	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2H"	2.014552
"211182"	375.884276	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+3H"	3.021828
"651835"	563.322776	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+3H"	3.021828
"1169961"	188.445776	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+3H"	3.021828
"429224"	1142.664823	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+NH4"	18.033823
"788761"	1704.980323	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+NH4"	18.033823
"1688374"	580.349323	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+NH4"	18.033823
"335557"	571.8360495	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+H+NH4"	19.041099
"723358"	852.9937995	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+H+NH4"	19.041099
"1478031"	290.6782995	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H+NH4"	19.041099
"394404"	1147.620218	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+Na"	22.989218
"755154"	1709.935718	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+Na"	22.989218
"1605561"	585.304718	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Na"	22.989218
"314866"	574.313747	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+H+Na"	23.996494
"712034"	855.471497	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+H+Na"	23.996494
"1463054"	293.155997	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H+Na"	23.996494
"1055818"	195.77309	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2H+Na"	25.00377
"1259316"	595.348986	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+CH3OH+H"	33.033486
"382637"	1163.594158	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+K"	38.963158
"744728"	1725.909658	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+K"	38.963158
"1546784"	601.278658	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+K"	38.963158
"307240"	582.300717	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+H+K"	39.970434
"699664"	863.458467	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+H+K"	39.970434
"1453482"	301.142967	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H+K"	39.970434
"244270"	1166.664826	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+ACN+H"	42.033826
"1213700"	604.349326	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+ACN+H"	42.033826
"1203051"	302.678301	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+ACN+2H"	43.041102
"190574"	1169.60216	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+2Na-H"	44.97116
"630135"	1731.91766	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+2Na-H"	44.97116
"1135707"	607.28666	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2Na-H"	44.97116
"174743"	585.304718	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+2Na"	45.978436
"617465"	866.462468	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+2Na"	45.978436
"1130459"	304.146968	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2Na"	45.978436
"1410698"	203.100404	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H+2Na"	46.985712
"1439898"	609.328246	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H+HCOOH"	47.012746
"227406"	590.33774	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+3H2O+2H"	56.04448
"1515468"	623.38029	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+IsoProp+H"	61.06479
"418436"	593.291688	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+Na+K"	61.952376
"781622"	874.449438	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+Na+K"	61.952376
"1677953"	312.133938	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Na+K"	61.952376
"260098"	1188.646768	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+ACN+Na"	64.015768
"1236088"	626.331268	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+ACN+Na"	64.015768
"1720600"	626.354793	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+NH4+HCOOH"	64.039293
"1187048"	210.427718	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+3Na"	68.967654
"1665204"	631.310188	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Na+HCOOH"	68.994688
"169270"	1201.55004	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+2K-H"	76.91904
"609922"	1763.86554	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+2K-H"	76.91904
"1095534"	639.23454	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2K-H"	76.91904
"149077"	601.278658	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"2M+2K"	77.926316
"588636"	882.436408	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"3M+2K"	77.926316
"1074243"	320.120908	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2K"	77.926316
"1108544"	641.249092	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2K+H"	78.933592
"1344928"	641.336707	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+DMSO+H"	79.021207
"1010174"	645.375876	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2ACN+H"	83.060376
"1531581"	646.369508	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+IsoProp+Na+H"	84.054008
"1000589"	323.191576	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+2ACN+2H"	84.067652
"1596912"	647.284128	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+K+HCOOH"	84.968628
"1426946"	677.315638	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+H+CF3COOH"	115.000138
"1159421"	343.704851	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+3ACN+2H"	125.094202
"1711159"	694.342185	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+NH4+CF3COOH"	132.026685
"1641342"	699.29758	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+Na+CF3COOH"	136.98208
"1576994"	715.27152	"C12896"	"Carpipramine maleate"	"C28H38N4OC4H4O4"	"562.3155"	"M+K+CF3COOH"	152.95602
"809547"	291.1834	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M"	0
"987089"	272.16501	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-H2O-H"	-19.01839
"77888"	193.114990666667	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M-3H"	-3.021828
"517081"	290.176124	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M-3H"	-3.021828
"890874"	96.0538573333333	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-3H"	-3.021828
"14431"	290.176124	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M-2H"	-2.014552
"446824"	435.767824	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M-2H"	-2.014552
"825718"	144.584424	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-2H"	-2.014552
"90819"	581.359524	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M-H"	-1.007276
"529649"	872.542924	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M-H"	-1.007276
"900892"	290.176124	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-H"	-1.007276
"54174"	598.386071	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M-2H+NH4"	16.019271
"491547"	889.569471	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M-2H+NH4"	16.019271
"871534"	307.202671	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-2H+NH4"	16.019271
"35060"	603.341466	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M-2H+Na"	20.974666
"473526"	894.524866	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M-2H+Na"	20.974666
"850234"	312.158066	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-2H+Na"	20.974666
"1620861"	312.158066	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Na-2H"	20.974666
"95687"	308.164463	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M-H+Cl"	33.962126
"535491"	453.756163	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M-H+Cl"	33.962126
"927627"	162.572763	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-H+Cl"	33.962126
"269023"	617.336202	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+Cl"	34.969402
"662901"	908.519602	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+Cl"	34.969402
"1277130"	326.152802	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Cl"	34.969402
"18593"	619.315406	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M-2H+K"	36.948606
"460340"	910.498806	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M-2H+K"	36.948606
"839238"	328.132006	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-2H+K"	36.948606
"1562728"	328.132006	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+K-2H"	36.948606
"947331"	336.181594	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-H+HCOOH"	44.998194
"364088"	627.365001	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+HCOOH-H"	44.998201
"348335"	641.380651	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+Hac-H"	59.013851
"1493028"	350.197251	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Hac-H"	59.013851
"961791"	358.163551	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-H+NaCOOH"	66.980151
"115807"	326.152802	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+2Cl"	69.938804
"551720"	471.744502	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+2Cl"	69.938804
"1021578"	180.561102	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2Cl"	69.938804
"1241911"	370.102285	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Br"	78.918885
"1305455"	372.158272	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Cl+HCOOH"	80.974872
"1332076"	394.140229	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Cl+NaCOOH"	102.956829
"920222"	404.168986	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M-H+CF3COOH"	112.985586
"1296929"	440.145664	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Cl+CF3COOH"	148.962264
"1369622"	256.170724	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H-2H2O"	-35.012676
"1387120"	274.1807	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H-H2O"	-17.0027
"283649"	583.374076	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+H"	1.007276
"676676"	874.557476	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+H"	1.007276
"1351931"	292.190676	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H"	1.007276
"131750"	292.190676	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+2H"	2.014552
"572404"	437.782376	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+2H"	2.014552
"1046671"	146.598976	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2H"	2.014552
"216394"	195.129542666667	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+3H"	3.021828
"654133"	292.190676	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+3H"	3.021828
"1173353"	98.0684093333333	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+3H"	3.021828
"431157"	600.400623	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+NH4"	18.033823
"792153"	891.584023	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+NH4"	18.033823
"1688484"	309.217223	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+NH4"	18.033823
"336759"	300.7039495	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+H+NH4"	19.041099
"722849"	446.2956495	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+H+NH4"	19.041099
"1477899"	155.1122495	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H+NH4"	19.041099
"392917"	605.356018	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+Na"	22.989218
"754779"	896.539418	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+Na"	22.989218
"1605308"	314.172618	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Na"	22.989218
"314981"	303.181647	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+H+Na"	23.996494
"708009"	448.773347	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+H+Na"	23.996494
"1465597"	157.589947	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H+Na"	23.996494
"1058114"	105.395723333333	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2H+Na"	25.00377
"1259063"	324.216886	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+CH3OH+H"	33.033486
"380190"	621.329958	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+K"	38.963158
"741916"	912.513358	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+K"	38.963158
"1546894"	330.146558	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+K"	38.963158
"307349"	311.168617	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+H+K"	39.970434
"704147"	456.760317	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+H+K"	39.970434
"1455778"	165.576917	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H+K"	39.970434
"244380"	624.400626	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+ACN+H"	42.033826
"1220370"	333.217226	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+ACN+H"	42.033826
"1203160"	167.112251	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+ACN+2H"	43.041102
"192750"	627.33796	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+2Na-H"	44.97116
"636685"	918.52136	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+2Na-H"	44.97116
"1132900"	336.15456	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2Na-H"	44.97116
"174975"	314.172618	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+2Na"	45.978436
"617575"	459.764318	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+2Na"	45.978436
"1129473"	168.580918	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2Na"	45.978436
"1411780"	112.723037333333	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H+2Na"	46.985712
"1443533"	338.196146	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H+HCOOH"	47.012746
"230798"	319.20564	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+3H2O+2H"	56.04448
"1517766"	352.24819	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+IsoProp+H"	61.06479
"417454"	322.159588	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+Na+K"	61.952376
"784891"	467.751288	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+Na+K"	61.952376
"1679157"	176.567888	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Na+K"	61.952376
"262395"	646.382568	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+ACN+Na"	64.015768
"1236196"	355.199168	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+ACN+Na"	64.015768
"1725083"	355.222693	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+NH4+HCOOH"	64.039293
"1191531"	120.050351333333	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+3Na"	68.967654
"1665195"	360.178088	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Na+HCOOH"	68.994688
"169380"	659.28584	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+2K-H"	76.91904
"611126"	950.46924	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+2K-H"	76.91904
"1097709"	368.10244	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2K-H"	76.91904
"149188"	330.146558	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"2M+2K"	77.926316
"587653"	475.738258	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"3M+2K"	77.926316
"1076540"	184.554858	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2K"	77.926316
"1109746"	370.116992	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2K+H"	78.933592
"1346131"	370.204607	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+DMSO+H"	79.021207
"1011377"	374.243776	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2ACN+H"	83.060376
"1532784"	375.237408	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+IsoProp+Na+H"	84.054008
"999236"	187.625526	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+2ACN+2H"	84.067652
"1598116"	376.152028	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+K+HCOOH"	84.968628
"1427057"	406.183538	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+H+CF3COOH"	115.000138
"1159531"	208.138801	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+3ACN+2H"	125.094202
"1709082"	423.210085	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+NH4+CF3COOH"	132.026685
"1641452"	428.16548	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+Na+CF3COOH"	136.98208
"1577104"	444.13942	"C12905"	"Variotin;Pecilocin"	"C17H25NO3"	"291.1834"	"M+K+CF3COOH"	152.95602
"807470"	387.1714	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M"	0
"983190"	368.15301	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-H2O-H"	-19.01839
"75806"	257.106990666667	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M-3H"	-3.021828
"505892"	386.164124	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M-3H"	-3.021828
"885517"	128.049857333333	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-3H"	-3.021828
"9559"	386.164124	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M-2H"	-2.014552
"446934"	579.749824	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M-2H"	-2.014552
"821454"	192.578424	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-2H"	-2.014552
"93363"	773.335524	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M-H"	-1.007276
"529395"	1160.506924	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M-H"	-1.007276
"904282"	386.164124	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-H"	-1.007276
"56471"	790.362071	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M-2H+NH4"	16.019271
"494937"	1177.533471	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M-2H+NH4"	16.019271
"871644"	403.190671	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-2H+NH4"	16.019271
"35170"	795.317466	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M-2H+Na"	20.974666
"472664"	1182.488866	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M-2H+Na"	20.974666
"849044"	408.146066	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-2H+Na"	20.974666
"1618699"	408.146066	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Na-2H"	20.974666
"94408"	404.152463	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M-H+Cl"	33.962126
"535116"	597.738163	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M-H+Cl"	33.962126
"927117"	210.566763	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-H+Cl"	33.962126
"267215"	809.312202	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+Cl"	34.969402
"660004"	1196.483602	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+Cl"	34.969402
"1272873"	422.140802	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Cl"	34.969402
"15788"	811.291406	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M-2H+K"	36.948606
"455871"	1198.462806	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M-2H+K"	36.948606
"836068"	424.120006	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-2H+K"	36.948606
"1562838"	424.120006	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+K-2H"	36.948606
"947441"	432.169594	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-H+HCOOH"	44.998194
"363834"	819.341001	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+HCOOH-H"	44.998201
"347107"	833.356651	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+Hac-H"	59.013851
"1492766"	446.185251	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Hac-H"	59.013851
"959836"	454.151551	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-H+NaCOOH"	66.980151
"114824"	422.140802	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+2Cl"	69.938804
"551830"	615.726502	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+2Cl"	69.938804
"1021589"	228.555102	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2Cl"	69.938804
"1241581"	466.090285	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Br"	78.918885
"1305566"	468.146272	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Cl+HCOOH"	80.974872
"1331457"	490.128229	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Cl+NaCOOH"	102.956829
"922886"	500.156986	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M-H+CF3COOH"	112.985586
"1301048"	536.133664	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Cl+CF3COOH"	148.962264
"1378481"	352.158724	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H-2H2O"	-35.012676
"1386137"	370.1687	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H-H2O"	-17.0027
"286919"	775.350076	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+H"	1.007276
"681526"	1162.521476	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+H"	1.007276
"1357875"	388.178676	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H"	1.007276
"135138"	388.178676	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+2H"	2.014552
"578347"	581.764376	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+2H"	2.014552
"1048605"	194.592976	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2H"	2.014552
"218328"	259.121542666667	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+3H"	3.021828
"653152"	388.178676	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+3H"	3.021828
"1170185"	130.064409333333	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+3H"	3.021828
"432362"	792.376623	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+NH4"	18.033823
"795543"	1179.548023	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+NH4"	18.033823
"1689688"	405.205223	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+NH4"	18.033823
"335048"	396.6919495	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+H+NH4"	19.041099
"723825"	590.2776495	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+H+NH4"	19.041099
"1478251"	203.1062495	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H+NH4"	19.041099
"392914"	797.332018	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+Na"	22.989218
"755131"	1184.503418	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+Na"	22.989218
"1604690"	410.160618	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Na"	22.989218
"315090"	399.169647	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+H+Na"	23.996494
"709700"	592.755347	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+H+Na"	23.996494
"1466437"	205.583947	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H+Na"	23.996494
"1059318"	137.391723333333	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2H+Na"	25.00377
"1259902"	420.204886	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+CH3OH+H"	33.033486
"380663"	813.305958	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+K"	38.963158
"739472"	1200.477358	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+K"	38.963158
"1542985"	426.134558	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+K"	38.963158
"303441"	407.156617	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+H+K"	39.970434
"691609"	600.742317	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+H+K"	39.970434
"1446772"	213.570917	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H+K"	39.970434
"235815"	816.376626	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+ACN+H"	42.033826
"1211000"	429.205226	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+ACN+H"	42.033826
"1194884"	215.106251	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+ACN+2H"	43.041102
"189700"	819.31396	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+2Na-H"	44.97116
"631327"	1206.48536	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+2Na-H"	44.97116
"1131787"	432.14256	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2Na-H"	44.97116
"173131"	410.160618	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+2Na"	45.978436
"613261"	603.746318	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+2Na"	45.978436
"1125566"	216.574918	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2Na"	45.978436
"1412253"	144.719037333333	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H+2Na"	46.985712
"1440114"	434.184146	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H+HCOOH"	47.012746
"233096"	415.19364	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+3H2O+2H"	56.04448
"1522250"	448.23619	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+IsoProp+H"	61.06479
"420840"	418.147588	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+Na+K"	61.952376
"777467"	611.733288	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+Na+K"	61.952376
"1670516"	224.561888	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Na+K"	61.952376
"257036"	838.358568	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+ACN+Na"	64.015768
"1235213"	451.187168	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+ACN+Na"	64.015768
"1719726"	451.210693	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+NH4+HCOOH"	64.039293
"1191641"	152.046351333333	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+3Na"	68.967654
"1664815"	456.166088	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Na+HCOOH"	68.994688
"166210"	851.26184	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+2K-H"	76.91904
"605770"	1238.43324	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+2K-H"	76.91904
"1091375"	464.09044	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2K-H"	76.91904
"150386"	426.134558	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"2M+2K"	77.926316
"592131"	619.720258	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"3M+2K"	77.926316
"1072269"	232.548858	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2K"	77.926316
"1105478"	466.104992	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2K+H"	78.933592
"1340768"	466.192607	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+DMSO+H"	79.021207
"1008205"	470.231776	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2ACN+H"	83.060376
"1524504"	471.225408	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+IsoProp+Na+H"	84.054008
"990958"	235.619526	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+2ACN+2H"	84.067652
"1593851"	472.140028	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+K+HCOOH"	84.968628
"1420601"	502.171538	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+H+CF3COOH"	115.000138
"1153075"	256.132801	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+3ACN+2H"	125.094202
"1703724"	519.198085	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+NH4+CF3COOH"	132.026685
"1639375"	524.15348	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+Na+CF3COOH"	136.98208
"1577214"	540.12742	"C12915"	"Nemonapride"	"C21H26ClN3O2"	"387.1714"	"M+K+CF3COOH"	152.95602
"809767"	416.329	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M"	0
"986580"	397.31061	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"72636"	276.545390666667	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"513291"	415.321724	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"886720"	137.769057333333	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"7481"	415.321724	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"448137"	623.486224	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"822657"	207.157224	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"93717"	831.650724	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"532059"	1247.979724	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"908402"	415.321724	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"59497"	848.677271	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"498327"	1265.006271	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"872847"	432.348271	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"36373"	853.632666	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"473746"	1269.961666	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"849361"	437.303666	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1621081"	437.303666	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"94297"	433.310063	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"534984"	641.474563	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"927113"	225.145563	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"267530"	867.627402	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"660237"	1283.956402	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1273090"	451.298402	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"17229"	869.606606	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"455803"	1285.935606	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"835448"	453.277606	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1562948"	453.277606	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"948645"	461.327194	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"363944"	877.656201	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"348919"	891.671851	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1495198"	475.342851	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"960918"	483.309151	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"114935"	451.298402	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"550481"	659.462902	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1021581"	243.133902	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1241564"	495.247885	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1304946"	497.303872	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1328287"	519.285829	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"925183"	529.314586	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1301522"	565.291264	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1378591"	381.316324	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1388434"	399.3263	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"292497"	833.665276	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"683823"	1249.994276	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1363453"	417.336276	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"135248"	417.336276	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"579186"	625.500776	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1047985"	209.171776	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"216983"	278.559942666667	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"653260"	417.336276	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1173573"	139.783609333333	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"433565"	850.691823	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"796746"	1267.020823	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1690891"	434.362823	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"338073"	425.8495495	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"728306"	634.0140495	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1480306"	217.6850495	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"393882"	855.647218	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"755729"	1271.976218	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1604071"	439.318218	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"316294"	428.327247	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"711268"	636.491747	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1465453"	220.162747	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1059428"	147.110923333333	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1260376"	449.362486	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"379680"	871.621158	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"741769"	1287.950158	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1541635"	455.292158	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"302091"	436.314217	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"693789"	644.478717	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1449798"	228.149717	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"239493"	874.691826	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1212933"	458.362826	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1197180"	229.685051	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"191876"	877.62916	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"632530"	1293.95816	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1131539"	461.30016	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"173533"	439.318218	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"613658"	647.482718	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1126770"	231.153718	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1411390"	154.438237333333	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1438038"	463.341746	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"234788"	444.35124	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1522971"	477.39379	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"423385"	447.305188	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"774294"	655.469688	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1670626"	239.140688	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"259333"	896.673768	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1232042"	480.344768	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1720929"	480.368293	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1190657"	161.765551333333	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1664563"	485.323688	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"169606"	909.57704	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"610259"	1325.90604	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1091485"	493.24804	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"149403"	455.292158	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"591148"	663.456658	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1072379"	247.127658	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1104494"	495.262592	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1340878"	495.350207	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1008315"	499.389376	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1525346"	500.383008	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"991795"	250.198326	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1595054"	501.297628	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1422898"	531.329138	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1152092"	270.711601	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1703834"	548.355685	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1638392"	553.31108	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1578417"	569.28502	"C12919"	"1-alpha24(R)-Dihydroxyvitamin D3;Tacalcitol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"807690"	1234.4765	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M"	0
"983410"	1215.45811	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-H2O-H"	-19.01839
"72746"	821.977057333333	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M-3H"	-3.021828
"511214"	1233.469224	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M-3H"	-3.021828
"886830"	410.484890666667	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-3H"	-3.021828
"4311"	1233.469224	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M-2H"	-2.014552
"447153"	1850.707474	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M-2H"	-2.014552
"819487"	616.230974	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-2H"	-2.014552
"91879"	2467.945724	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M-H"	-1.007276
"532531"	3702.422224	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M-H"	-1.007276
"905596"	1233.469224	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-H"	-1.007276
"56691"	2484.972271	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M-2H+NH4"	16.019271
"497344"	3719.448771	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M-2H+NH4"	16.019271
"871864"	1250.495771	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-2H+NH4"	16.019271
"36483"	2489.927666	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M-2H+Na"	20.974666
"472884"	3724.404166	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M-2H+Na"	20.974666
"849713"	1255.451166	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-2H+Na"	20.974666
"1621191"	1255.451166	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Na-2H"	20.974666
"94838"	1251.457563	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M-H+Cl"	33.962126
"535215"	1868.695813	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M-H+Cl"	33.962126
"928608"	634.219313	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-H+Cl"	33.962126
"268136"	2503.922402	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+Cl"	34.969402
"660312"	3738.398902	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+Cl"	34.969402
"1273924"	1269.445902	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Cl"	34.969402
"16973"	2505.901606	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M-2H+K"	36.948606
"456413"	3740.378106	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M-2H+K"	36.948606
"835194"	1271.425106	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-2H+K"	36.948606
"1560870"	1271.425106	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+K-2H"	36.948606
"946568"	1279.474694	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-H+HCOOH"	44.998194
"364783"	2513.951201	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+HCOOH-H"	44.998201
"348301"	2527.966851	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+Hac-H"	59.013851
"1494215"	1293.490351	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Hac-H"	59.013851
"961028"	1301.456651	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-H+NaCOOH"	66.980151
"115045"	1269.445902	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+2Cl"	69.938804
"550469"	1886.684152	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+2Cl"	69.938804
"1022211"	652.207652	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2Cl"	69.938804
"1241913"	1313.395385	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Br"	78.918885
"1304968"	1315.451372	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Cl+HCOOH"	80.974872
"1326210"	1337.433329	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Cl+NaCOOH"	102.956829
"925657"	1347.462086	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M-H+CF3COOH"	112.985586
"1301634"	1383.438764	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Cl+CF3COOH"	148.962264
"1378701"	1199.463824	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H-2H2O"	-35.012676
"1388544"	1217.4738	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H-H2O"	-17.0027
"292607"	2469.960276	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+H"	1.007276
"683933"	3704.436776	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+H"	1.007276
"1363563"	1235.483776	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H"	1.007276
"135358"	1235.483776	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+2H"	2.014552
"580998"	1852.722026	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+2H"	2.014552
"1044815"	618.245526	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2H"	2.014552
"218913"	823.991609333333	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+3H"	3.021828
"655558"	1235.483776	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+3H"	3.021828
"1174776"	412.499442666667	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+3H"	3.021828
"433678"	2486.986823	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+NH4"	18.033823
"799771"	3721.463323	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+NH4"	18.033823
"1692095"	1252.510323	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+NH4"	18.033823
"339277"	1243.9970495	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+H+NH4"	19.041099
"730603"	1861.2352995	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+H+NH4"	19.041099
"1480416"	626.7587995	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H+NH4"	19.041099
"394723"	2491.942218	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+Na"	22.989218
"757176"	3726.418718	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+Na"	22.989218
"1606367"	1257.465718	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Na"	22.989218
"317863"	1246.474747	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+H+Na"	23.996494
"710650"	1863.712997	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+H+Na"	23.996494
"1467387"	629.236497	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H+Na"	23.996494
"1062818"	419.826756666667	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2H+Na"	25.00377
"1260122"	1267.509986	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+CH3OH+H"	33.033486
"379790"	2507.916158	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+K"	38.963158
"742973"	3742.392658	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+K"	38.963158
"1546120"	1273.439658	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+K"	38.963158
"300744"	1254.461717	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+H+K"	39.970434
"695723"	1871.699967	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+H+K"	39.970434
"1451731"	637.223467	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H+K"	39.970434
"240333"	2510.986826	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+ACN+H"	42.033826
"1216322"	1276.510326	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+ACN+H"	42.033826
"1198384"	638.758801	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+ACN+2H"	43.041102
"189555"	2513.92416	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+2Na-H"	44.97116
"628831"	3748.40066	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+2Na-H"	44.97116
"1132256"	1279.44766	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2Na-H"	44.97116
"173004"	1257.465718	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+2Na"	45.978436
"613889"	1874.703968	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+2Na"	45.978436
"1124694"	640.227468	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2Na"	45.978436
"1410408"	427.154070666667	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H+2Na"	46.985712
"1437055"	1281.489246	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H+HCOOH"	47.012746
"234045"	1262.49874	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+3H2O+2H"	56.04448
"1522471"	1295.54129	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+IsoProp+H"	61.06479
"420335"	1265.452688	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+Na+K"	61.952376
"774405"	1882.690938	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+Na+K"	61.952376
"1674017"	648.214438	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Na+K"	61.952376
"262724"	2532.968768	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+ACN+Na"	64.015768
"1233245"	1298.492268	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+ACN+Na"	64.015768
"1723226"	1298.515793	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+NH4+HCOOH"	64.039293
"1188581"	434.481384666667	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+3Na"	68.967654
"1663941"	1303.471188	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Na+HCOOH"	68.994688
"171777"	2545.87204	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+2K-H"	76.91904
"605990"	3780.34854	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+2K-H"	76.91904
"1091595"	1311.39554	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2K-H"	76.91904
"150242"	1273.439658	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"2M+2K"	77.926316
"589071"	1890.677908	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"3M+2K"	77.926316
"1071395"	656.201408	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2K"	77.926316
"1100227"	1313.410092	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2K+H"	78.933592
"1335678"	1313.497707	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+DMSO+H"	79.021207
"1005905"	1317.536876	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2ACN+H"	83.060376
"1524965"	1318.530508	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+IsoProp+Na+H"	84.054008
"990240"	659.272076	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+2ACN+2H"	84.067652
"1594071"	1319.445128	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+K+HCOOH"	84.968628
"1420821"	1349.476638	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+H+CF3COOH"	115.000138
"1152202"	679.785351	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+3ACN+2H"	125.094202
"1703944"	1366.503185	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+NH4+CF3COOH"	132.026685
"1638502"	1371.45858	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+Na+CF3COOH"	136.98208
"1578527"	1387.43252	"C12933"	"Rolitetracycline nitrate"	"(C27H33N3O8)22HNO33H2O"	"1234.4765"	"M+K+CF3COOH"	152.95602
"807800"	209.9606	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M"	0
"984613"	190.94221	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-H2O-H"	-19.01839
"72856"	138.966457333333	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M-3H"	-3.021828
"514604"	208.953324	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M-3H"	-3.021828
"892043"	68.9795906666667	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-3H"	-3.021828
"4421"	208.953324	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M-2H"	-2.014552
"447264"	313.933624	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M-2H"	-2.014552
"822877"	103.973024	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-2H"	-2.014552
"94063"	418.913924	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M-H"	-1.007276
"533495"	628.874524	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M-H"	-1.007276
"908622"	208.953324	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-H"	-1.007276
"56801"	435.940471	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M-2H+NH4"	16.019271
"493080"	645.901071	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M-2H+NH4"	16.019271
"870880"	225.979871	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-2H+NH4"	16.019271
"37686"	440.895866	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M-2H+Na"	20.974666
"473966"	650.856466	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M-2H+Na"	20.974666
"850676"	230.935266	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-2H+Na"	20.974666
"1619354"	230.935266	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Na-2H"	20.974666
"95272"	226.941663	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M-H+Cl"	33.962126
"535810"	331.921963	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M-H+Cl"	33.962126
"928960"	121.961363	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-H+Cl"	33.962126
"268610"	454.890602	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+Cl"	34.969402
"661272"	664.851202	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+Cl"	34.969402
"1273187"	244.930002	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Cl"	34.969402
"19394"	456.869806	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M-2H+K"	36.948606
"456402"	666.830406	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M-2H+K"	36.948606
"835302"	246.909206	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-2H+K"	36.948606
"1559887"	246.909206	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+K-2H"	36.948606
"945585"	254.958794	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-H+HCOOH"	44.998194
"363066"	464.919401	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+HCOOH-H"	44.998201
"348775"	478.935051	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+Hac-H"	59.013851
"1493715"	268.974451	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Hac-H"	59.013851
"960408"	276.940751	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-H+NaCOOH"	66.980151
"112239"	244.930002	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+2Cl"	69.938804
"551307"	349.910302	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+2Cl"	69.938804
"1022165"	139.949702	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2Cl"	69.938804
"1242476"	288.879485	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Br"	78.918885
"1306624"	290.935472	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Cl+HCOOH"	80.974872
"1326320"	312.917429	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Cl+NaCOOH"	102.956829
"926129"	322.946186	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M-H+CF3COOH"	112.985586
"1301744"	358.922864	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Cl+CF3COOH"	148.962264
"1379906"	174.947924	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H-2H2O"	-35.012676
"1394851"	192.9579	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H-H2O"	-17.0027
"293811"	420.928476	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+H"	1.007276
"682950"	630.889076	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+H"	1.007276
"1362580"	210.967876	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H"	1.007276
"134375"	210.967876	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+2H"	2.014552
"580134"	315.948176	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+2H"	2.014552
"1046019"	105.987576	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2H"	2.014552
"217930"	140.981009333333	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+3H"	3.021828
"653483"	210.967876	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+3H"	3.021828
"1170515"	70.9941426666667	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+3H"	3.021828
"434880"	437.955023	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+NH4"	18.033823
"799153"	647.915623	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+NH4"	18.033823
"1690019"	227.994423	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+NH4"	18.033823
"338294"	219.4811495	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+H+NH4"	19.041099
"730714"	324.4614495	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+H+NH4"	19.041099
"1482348"	114.5008495	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H+NH4"	19.041099
"394832"	442.910418	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+Na"	22.989218
"756921"	652.871018	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+Na"	22.989218
"1607934"	232.949818	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Na"	22.989218
"318701"	221.958847	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+H+Na"	23.996494
"712582"	326.939147	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+H+Na"	23.996494
"1467497"	116.978547	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H+Na"	23.996494
"1057461"	78.3214566666667	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2H+Na"	25.00377
"1262418"	242.994086	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+CH3OH+H"	33.033486
"383178"	458.884358	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+K"	38.963158
"743082"	668.844958	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+K"	38.963158
"1548417"	248.923758	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+K"	38.963158
"306687"	229.945817	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+H+K"	39.970434
"695833"	334.926117	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+H+K"	39.970434
"1454027"	124.965517	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H+K"	39.970434
"241536"	461.955026	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+ACN+H"	42.033826
"1218619"	251.994426	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+ACN+H"	42.033826
"1202502"	126.500851	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+ACN+2H"	43.041102
"192096"	464.89236	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+2Na-H"	44.97116
"633840"	674.85296	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+2Na-H"	44.97116
"1136252"	254.93176	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2Na-H"	44.97116
"175170"	232.949818	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+2Na"	45.978436
"614972"	337.930118	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+2Na"	45.978436
"1123708"	127.969518	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2Na"	45.978436
"1410518"	85.6487706666667	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H+2Na"	46.985712
"1438258"	256.973346	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H+HCOOH"	47.012746
"235415"	237.98284	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+3H2O+2H"	56.04448
"1520391"	271.02539	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+IsoProp+H"	61.06479
"418984"	240.936788	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+Na+K"	61.952376
"776702"	345.917088	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+Na+K"	61.952376
"1673034"	135.956488	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Na+K"	61.952376
"256272"	483.936968	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+ACN+Na"	64.015768
"1231169"	273.976368	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+ACN+Na"	64.015768
"1718962"	273.999893	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+NH4+HCOOH"	64.039293
"1186504"	92.9760846666667	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+3Na"	68.967654
"1660771"	278.955288	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Na+HCOOH"	68.994688
"170912"	496.84024	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+2K-H"	76.91904
"606100"	706.80084	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+2K-H"	76.91904
"1091705"	286.87964	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2K-H"	76.91904
"149622"	248.923758	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"2M+2K"	77.926316
"588087"	353.904058	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"3M+2K"	77.926316
"1071505"	143.943458	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2K"	77.926316
"1100454"	288.894192	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2K+H"	78.933592
"1336112"	288.981807	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+DMSO+H"	79.021207
"1007553"	293.020976	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2ACN+H"	83.060376
"1525072"	294.014608	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+IsoProp+Na+H"	84.054008
"991160"	147.014126	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+2ACN+2H"	84.067652
"1594182"	294.929228	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+K+HCOOH"	84.968628
"1423120"	324.960738	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+H+CF3COOH"	115.000138
"1152312"	167.527401	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+3ACN+2H"	125.094202
"1710616"	341.987285	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+NH4+CF3COOH"	132.026685
"1637519"	346.94268	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+Na+CF3COOH"	136.98208
"1575356"	362.91662	"C12935"	"Calcium glycerophosphate;Calcium beta-glycerophosphate"	"C3H7O6PCa"	"209.9606"	"M+K+CF3COOH"	152.95602
"807910"	552.2189	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M"	0
"984723"	533.20051	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-H2O-H"	-19.01839
"71873"	367.138657333333	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M-3H"	-3.021828
"510341"	551.211624	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M-3H"	-3.021828
"892518"	183.065690666667	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-3H"	-3.021828
"4531"	551.211624	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M-2H"	-2.014552
"447374"	827.321074	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M-2H"	-2.014552
"819707"	275.102174	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-2H"	-2.014552
"94009"	1103.430524	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M-H"	-1.007276
"532511"	1655.649424	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M-H"	-1.007276
"908003"	551.211624	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-H"	-1.007276
"56911"	1120.457071	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M-2H+NH4"	16.019271
"494283"	1672.675971	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M-2H+NH4"	16.019271
"870990"	568.238171	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-2H+NH4"	16.019271
"36703"	1125.412466	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M-2H+Na"	20.974666
"479543"	1677.631366	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M-2H+Na"	20.974666
"851879"	573.193566	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-2H+Na"	20.974666
"1623599"	573.193566	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Na-2H"	20.974666
"100126"	569.199963	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M-H+Cl"	33.962126
"538594"	845.309413	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M-H+Cl"	33.962126
"937576"	293.090513	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-H+Cl"	33.962126
"271759"	1139.407202	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+Cl"	34.969402
"663087"	1691.626102	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+Cl"	34.969402
"1276221"	587.188302	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Cl"	34.969402
"22421"	1141.386406	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M-2H+K"	36.948606
"463076"	1693.605306	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M-2H+K"	36.948606
"837964"	589.167506	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-2H+K"	36.948606
"1562184"	589.167506	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+K-2H"	36.948606
"947883"	597.217094	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-H+HCOOH"	44.998194
"370471"	1149.436001	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+HCOOH-H"	44.998201
"350343"	1163.451651	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+Hac-H"	59.013851
"1496625"	611.232751	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Hac-H"	59.013851
"961979"	619.199051	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-H+NaCOOH"	66.980151
"111983"	587.188302	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+2Cl"	69.938804
"550117"	863.297752	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+2Cl"	69.938804
"1021915"	311.078852	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2Cl"	69.938804
"1242831"	631.137785	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Br"	78.918885
"1306735"	633.193772	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Cl+HCOOH"	80.974872
"1326430"	655.175729	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Cl+NaCOOH"	102.956829
"925146"	665.204486	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M-H+CF3COOH"	112.985586
"1300761"	701.181164	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Cl+CF3COOH"	148.962264
"1380746"	517.206224	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H-2H2O"	-35.012676
"1397514"	535.2162	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H-H2O"	-17.0027
"295014"	1105.445076	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+H"	1.007276
"689621"	1657.663976	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+H"	1.007276
"1363784"	553.226176	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H"	1.007276
"139588"	553.226176	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+2H"	2.014552
"581176"	829.335626	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+2H"	2.014552
"1043213"	277.116726	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2H"	2.014552
"216946"	369.153209333333	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+3H"	3.021828
"655780"	553.226176	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+3H"	3.021828
"1174998"	185.080242666667	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+3H"	3.021828
"432802"	1122.471623	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+NH4"	18.033823
"798538"	1674.690523	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+NH4"	18.033823
"1694500"	570.252723	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+NH4"	18.033823
"340592"	561.7394495	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+H+NH4"	19.041099
"733011"	837.8488995	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+H+NH4"	19.041099
"1486836"	285.6299995	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H+NH4"	19.041099
"398223"	1127.427018	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+Na"	22.989218
"764320"	1679.645918	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+Na"	22.989218
"1613512"	575.208118	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Na"	22.989218
"321363"	564.217147	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+H+Na"	23.996494
"715973"	840.326597	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+H+Na"	23.996494
"1471979"	288.107697	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H+Na"	23.996494
"1061943"	192.407556666667	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2H+Na"	25.00377
"1267995"	585.252386	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+CH3OH+H"	33.033486
"385478"	1143.400958	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+K"	38.963158
"745381"	1695.619858	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+K"	38.963158
"1551808"	591.182058	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+K"	38.963158
"304612"	572.204117	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+H+K"	39.970434
"694850"	848.313567	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+H+K"	39.970434
"1451951"	296.094667	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H+K"	39.970434
"242739"	1146.471626	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+ACN+H"	42.033826
"1219822"	594.252726	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+ACN+H"	42.033826
"1202613"	297.630001	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+ACN+2H"	43.041102
"194392"	1149.40896	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+2Na-H"	44.97116
"636137"	1701.62786	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+2Na-H"	44.97116
"1135270"	597.19006	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2Na-H"	44.97116
"175280"	575.208118	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+2Na"	45.978436
"614960"	851.317568	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+2Na"	45.978436
"1119446"	299.098668	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2Na"	45.978436
"1401269"	199.734870666667	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H+2Na"	46.985712
"1437275"	599.231646	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H+HCOOH"	47.012746
"231344"	580.24114	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+3H2O+2H"	56.04448
"1520136"	613.28369	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+IsoProp+H"	61.06479
"420553"	583.195088	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+Na+K"	61.952376
"776812"	859.304538	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+Na+K"	61.952376
"1672051"	307.085638	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Na+K"	61.952376
"253464"	1168.453568	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+ACN+Na"	64.015768
"1226416"	616.234668	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+ACN+Na"	64.015768
"1724540"	616.258193	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+NH4+HCOOH"	64.039293
"1189896"	207.062184666667	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+3Na"	68.967654
"1663071"	621.213588	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Na+HCOOH"	68.994688
"169930"	1181.35684	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+2K-H"	76.91904
"609492"	1733.57574	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+2K-H"	76.91904
"1095095"	629.13794	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2K-H"	76.91904
"149731"	591.182058	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"2M+2K"	77.926316
"584915"	867.291508	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"3M+2K"	77.926316
"1069785"	315.072608	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2K"	77.926316
"1101174"	631.152492	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2K+H"	78.933592
"1338286"	631.240107	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+DMSO+H"	79.021207
"1009732"	635.279276	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2ACN+H"	83.060376
"1526158"	636.272908	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+IsoProp+Na+H"	84.054008
"992485"	318.143276	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+2ACN+2H"	84.067652
"1595385"	637.187528	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+K+HCOOH"	84.968628
"1423230"	667.219038	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+H+CF3COOH"	115.000138
"1152422"	338.656551	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+3ACN+2H"	125.094202
"1707446"	684.245585	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+NH4+CF3COOH"	132.026685
"1637629"	689.20098	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+Na+CF3COOH"	136.98208
"1575466"	705.17492	"C12937"	"Clocapramine dihydrochloride"	"C28H37ClN4O2HCl"	"552.2189"	"M+K+CF3COOH"	152.95602
"816962"	315.2046	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M"	0
"984834"	296.18621	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-H2O-H"	-19.01839
"76360"	209.129124	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M-3H"	-3.021828
"510454"	314.197324	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M-3H"	-3.021828
"891534"	104.060924	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-3H"	-3.021828
"7922"	314.197324	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M-2H"	-2.014552
"446389"	471.799624	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M-2H"	-2.014552
"831487"	156.595024	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-2H"	-2.014552
"94083"	629.401924	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M-H"	-1.007276
"531405"	944.606524	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M-H"	-1.007276
"905926"	314.197324	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-H"	-1.007276
"55562"	646.428471	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M-2H+NH4"	16.019271
"491112"	961.633071	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M-2H+NH4"	16.019271
"874017"	331.223871	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-2H+NH4"	16.019271
"36814"	651.383866	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M-2H+Na"	20.974666
"473092"	966.588466	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M-2H+Na"	20.974666
"851989"	336.179266	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-2H+Na"	20.974666
"1625895"	336.179266	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Na-2H"	20.974666
"98051"	332.185663	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M-H+Cl"	33.962126
"539799"	489.787963	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M-H+Cl"	33.962126
"932220"	174.583363	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-H+Cl"	33.962126
"269684"	665.378602	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+Cl"	34.969402
"668671"	980.583202	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+Cl"	34.969402
"1274873"	350.174002	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Cl"	34.969402
"19250"	667.357806	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M-2H+K"	36.948606
"462097"	982.562406	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M-2H+K"	36.948606
"847194"	352.153206	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-2H+K"	36.948606
"1567765"	352.153206	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+K-2H"	36.948606
"947992"	360.202794	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-H+HCOOH"	44.998194
"366207"	675.407401	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+HCOOH-H"	44.998201
"353370"	689.423051	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+Hac-H"	59.013851
"1498921"	374.218451	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Hac-H"	59.013851
"970477"	382.184751	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-H+NaCOOH"	66.980151
"116469"	350.174002	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+2Cl"	69.938804
"551285"	507.776302	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+2Cl"	69.938804
"1023365"	192.571702	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2Cl"	69.938804
"1242942"	394.123485	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Br"	78.918885
"1319581"	396.179472	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Cl+HCOOH"	80.974872
"1335599"	418.161429	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Cl+NaCOOH"	102.956829
"926678"	428.190186	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M-H+CF3COOH"	112.985586
"1300871"	464.166864	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Cl+CF3COOH"	148.962264
"1380128"	280.191924	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H-2H2O"	-35.012676
"1392155"	298.2019	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H-H2O"	-17.0027
"296216"	631.416476	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+H"	1.007276
"687543"	946.621076	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+H"	1.007276
"1366447"	316.211876	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H"	1.007276
"138606"	316.211876	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+2H"	2.014552
"580354"	473.814176	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+2H"	2.014552
"1048423"	158.609576	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2H"	2.014552
"215231"	211.143676	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+3H"	3.021828
"656615"	316.211876	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+3H"	3.021828
"1176198"	106.075476	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+3H"	3.021828
"436190"	648.443023	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+NH4"	18.033823
"793905"	963.647623	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+NH4"	18.033823
"1691329"	333.238423	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+NH4"	18.033823
"339607"	324.7251495	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+H+NH4"	19.041099
"730938"	482.3274495	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+H+NH4"	19.041099
"1481476"	167.1228495	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H+NH4"	19.041099
"400156"	653.398418	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+Na"	22.989218
"763338"	968.603018	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+Na"	22.989218
"1613624"	338.193818	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Na"	22.989218
"322567"	327.202847	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+H+Na"	23.996494
"719361"	484.805147	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+H+Na"	23.996494
"1473182"	169.600547	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H+Na"	23.996494
"1065333"	113.40279	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2H+Na"	25.00377
"1265919"	348.238086	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+CH3OH+H"	33.033486
"389598"	669.372358	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+K"	38.963158
"748771"	984.576958	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+K"	38.963158
"1548636"	354.167758	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+K"	38.963158
"301447"	335.189817	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+H+K"	39.970434
"693867"	492.792117	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+H+K"	39.970434
"1452062"	177.587517	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H+K"	39.970434
"245037"	672.443026	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+ACN+H"	42.033826
"1222851"	357.238426	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+ACN+H"	42.033826
"1201630"	179.122851	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+ACN+2H"	43.041102
"196687"	675.38036	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+2Na-H"	44.97116
"639893"	990.58496	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+2Na-H"	44.97116
"1143765"	360.17576	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2Na-H"	44.97116
"184866"	338.193818	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+2Na"	45.978436
"621512"	495.796118	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+2Na"	45.978436
"1126119"	180.591518	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2Na"	45.978436
"1406362"	120.730104	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H+2Na"	46.985712
"1437385"	362.217346	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H+HCOOH"	47.012746
"233279"	343.22684	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+3H2O+2H"	56.04448
"1523166"	376.26939	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+IsoProp+H"	61.06479
"414834"	346.180788	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+Na+K"	61.952376
"776924"	503.783088	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+Na+K"	61.952376
"1667786"	188.578488	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Na+K"	61.952376
"255400"	694.424968	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+ACN+Na"	64.015768
"1234670"	379.220368	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+ACN+Na"	64.015768
"1719182"	379.243893	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+NH4+HCOOH"	64.039293
"1188910"	128.057418	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+3Na"	68.967654
"1660991"	384.199288	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Na+HCOOH"	68.994688
"171986"	707.32824	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+2K-H"	76.91904
"609601"	1022.53284	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+2K-H"	76.91904
"1090841"	392.12364	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2K-H"	76.91904
"149843"	354.167758	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"2M+2K"	77.926316
"587215"	511.770058	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"3M+2K"	77.926316
"1069412"	196.565458	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2K"	77.926316
"1104935"	394.138192	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2K+H"	78.933592
"1338032"	394.225807	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+DMSO+H"	79.021207
"1006805"	398.264976	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2ACN+H"	83.060376
"1524811"	399.258608	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+IsoProp+Na+H"	84.054008
"995526"	199.636126	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+2ACN+2H"	84.067652
"1595492"	400.173228	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+K+HCOOH"	84.968628
"1423339"	430.204738	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+H+CF3COOH"	115.000138
"1153628"	220.149401	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+3ACN+2H"	125.094202
"1706463"	447.231285	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+NH4+CF3COOH"	132.026685
"1638833"	452.18668	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+Na+CF3COOH"	136.98208
"1574484"	468.16062	"C12946"	"Butoctamide hydrogen succinate;Butoctamide semisuccinate"	"C16H29NO5"	"315.2046"	"M+K+CF3COOH"	152.95602
"814692"	441.1199	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M"	0
"983851"	422.10151	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-H2O-H"	-19.01839
"74283"	293.072657333333	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M-3H"	-3.021828
"510564"	440.112624	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M-3H"	-3.021828
"890551"	146.032690666667	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-3H"	-3.021828
"3659"	440.112624	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M-2H"	-2.014552
"443219"	660.672574	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M-2H"	-2.014552
"827589"	219.552674	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-2H"	-2.014552
"90861"	881.232524	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M-H"	-1.007276
"526047"	1322.352424	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M-H"	-1.007276
"903848"	440.112624	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-H"	-1.007276
"51662"	898.259071	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M-2H+NH4"	16.019271
"489035"	1339.378971	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M-2H+NH4"	16.019271
"870118"	457.139171	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-2H+NH4"	16.019271
"38019"	903.214466	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M-2H+Na"	20.974666
"472149"	1344.334366	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M-2H+Na"	20.974666
"849222"	462.094566	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-2H+Na"	20.974666
"1620537"	462.094566	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Na-2H"	20.974666
"95973"	458.100963	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M-H+Cl"	33.962126
"535290"	678.660913	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M-H+Cl"	33.962126
"927955"	237.541013	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-H+Cl"	33.962126
"272346"	917.209202	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+Cl"	34.969402
"668781"	1358.329102	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+Cl"	34.969402
"1274983"	476.089302	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Cl"	34.969402
"18632"	919.188406	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M-2H+K"	36.948606
"463302"	1360.308306	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M-2H+K"	36.948606
"845481"	478.068506	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-2H+K"	36.948606
"1563501"	478.068506	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+K-2H"	36.948606
"949195"	486.118094	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-H+HCOOH"	44.998194
"369597"	927.238001	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+HCOOH-H"	44.998201
"353480"	941.253651	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+Hac-H"	59.013851
"1501219"	500.133751	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Hac-H"	59.013851
"964389"	508.100051	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-H+NaCOOH"	66.980151
"111836"	476.089302	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+2Cl"	69.938804
"551395"	696.649252	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+2Cl"	69.938804
"1023839"	255.529352	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2Cl"	69.938804
"1245244"	520.038785	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Br"	78.918885
"1319246"	522.094772	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Cl+HCOOH"	80.974872
"1332124"	544.076729	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Cl+NaCOOH"	102.956829
"925614"	554.105486	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M-H+CF3COOH"	112.985586
"1303412"	590.082164	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Cl+CF3COOH"	148.962264
"1380238"	406.107224	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H-2H2O"	-35.012676
"1394452"	424.1172	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H-H2O"	-17.0027
"295232"	883.247076	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+H"	1.007276
"688383"	1324.366976	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+H"	1.007276
"1362547"	442.127176	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H"	1.007276
"139446"	442.127176	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+2H"	2.014552
"575361"	662.687126	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+2H"	2.014552
"1043066"	221.567226	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2H"	2.014552
"214248"	295.087209333333	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+3H"	3.021828
"651621"	442.127176	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+3H"	3.021828
"1171935"	148.047242666667	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+3H"	3.021828
"433019"	900.273623	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+NH4"	18.033823
"797295"	1341.393523	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+NH4"	18.033823
"1691439"	459.153723	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+NH4"	18.033823
"338624"	450.6404495	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+H+NH4"	19.041099
"729224"	671.2003995	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+H+NH4"	19.041099
"1483044"	230.0804995	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H+NH4"	19.041099
"396259"	905.229018	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+Na"	22.989218
"763450"	1346.348918	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+Na"	22.989218
"1610456"	464.109118	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Na"	22.989218
"319398"	453.118147	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+H+Na"	23.996494
"716191"	673.678097	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+H+Na"	23.996494
"1470014"	232.558197	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H+Na"	23.996494
"1062167"	155.374556666667	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2H+Na"	25.00377
"1266029"	474.153386	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+CH3OH+H"	33.033486
"386792"	921.202958	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+K"	38.963158
"747787"	1362.322858	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+K"	38.963158
"1550933"	480.083058	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+K"	38.963158
"311025"	461.105117	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+H+K"	39.970434
"693978"	681.665067	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+H+K"	39.970434
"1452173"	240.545167	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H+K"	39.970434
"241867"	924.273626	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+ACN+H"	42.033826
"1217857"	483.153726	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+ACN+H"	42.033826
"1202832"	242.080501	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+ACN+2H"	43.041102
"198984"	927.21096	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+2Na-H"	44.97116
"637454"	1368.33086	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+2Na-H"	44.97116
"1142051"	486.09106	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2Na-H"	44.97116
"184248"	464.109118	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+2Na"	45.978436
"620529"	684.669068	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+2Na"	45.978436
"1125136"	243.549168	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2Na"	45.978436
"1412671"	162.701870666667	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H+2Na"	46.985712
"1445457"	488.132646	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H+HCOOH"	47.012746
"235540"	469.14214	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+3H2O+2H"	56.04448
"1522911"	502.18469	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+IsoProp+H"	61.06479
"411665"	472.096088	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+Na+K"	61.952376
"780316"	692.656038	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+Na+K"	61.952376
"1677741"	251.536138	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Na+K"	61.952376
"260978"	946.255568	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+ACN+Na"	64.015768
"1239524"	505.135668	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+ACN+Na"	64.015768
"1724761"	505.159193	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+NH4+HCOOH"	64.039293
"1189022"	170.029184666667	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+3Na"	68.967654
"1656729"	510.114588	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Na+HCOOH"	68.994688
"171611"	959.15884	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+2K-H"	76.91904
"608621"	1400.27874	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+2K-H"	76.91904
"1089858"	518.03894	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2K-H"	76.91904
"151045"	480.083058	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"2M+2K"	77.926316
"587325"	700.643008	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"3M+2K"	77.926316
"1068713"	259.523108	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2K"	77.926316
"1102858"	520.053492	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2K+H"	78.933592
"1336564"	520.141107	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+DMSO+H"	79.021207
"1005943"	524.180276	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2ACN+H"	83.060376
"1524241"	525.173908	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+IsoProp+Na+H"	84.054008
"998912"	262.593776	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+2ACN+2H"	84.067652
"1594507"	526.088528	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+K+HCOOH"	84.968628
"1421261"	556.120038	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+H+CF3COOH"	115.000138
"1157018"	283.107051	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+3ACN+2H"	125.094202
"1707666"	573.146585	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+NH4+CF3COOH"	132.026685
"1638943"	578.10198	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+Na+CF3COOH"	136.98208
"1574594"	594.07592	"C12948"	"Mazaticol hydrochloride;KAO 264"	"C21H27NO3S2HCl"	"441.1199"	"M+K+CF3COOH"	152.95602
"814802"	676.253	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M"	0
"981774"	657.23461	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-H2O-H"	-19.01839
"71113"	449.828057333333	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M-3H"	-3.021828
"513954"	675.245724	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M-3H"	-3.021828
"889567"	224.410390666667	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-3H"	-3.021828
"3769"	675.245724	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M-2H"	-2.014552
"443329"	1013.372224	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M-2H"	-2.014552
"830614"	337.119224	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-2H"	-2.014552
"93160"	1351.498724	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M-H"	-1.007276
"528344"	2027.751724	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M-H"	-1.007276
"905051"	675.245724	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-H"	-1.007276
"51772"	1368.525271	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M-2H+NH4"	16.019271
"491332"	2044.778271	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M-2H+NH4"	16.019271
"871321"	692.272271	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-2H+NH4"	16.019271
"39222"	1373.480666	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M-2H+Na"	20.974666
"474407"	2049.733666	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M-2H+Na"	20.974666
"851115"	697.227666	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-2H+Na"	20.974666
"1623928"	697.227666	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Na-2H"	20.974666
"99363"	693.234063	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M-H+Cl"	33.962126
"544028"	1031.360563	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M-H+Cl"	33.962126
"933534"	355.107563	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-H+Cl"	33.962126
"275736"	1387.475402	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+Cl"	34.969402
"671077"	2063.728402	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+Cl"	34.969402
"1280925"	711.222402	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Cl"	34.969402
"23846"	1389.454606	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M-2H+K"	36.948606
"463413"	2065.707606	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M-2H+K"	36.948606
"843404"	713.201606	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-2H+K"	36.948606
"1563611"	713.201606	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+K-2H"	36.948606
"949306"	721.251194	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-H+HCOOH"	44.998194
"372623"	1397.504201	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+HCOOH-H"	44.998201
"352497"	1411.519851	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+Hac-H"	59.013851
"1500236"	735.266851	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Hac-H"	59.013851
"961583"	743.233151	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-H+NaCOOH"	66.980151
"112308"	711.222402	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+2Cl"	69.938804
"552960"	1049.348902	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+2Cl"	69.938804
"1022852"	373.095902	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2Cl"	69.938804
"1242432"	755.171885	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Br"	78.918885
"1319478"	757.227872	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Cl+HCOOH"	80.974872
"1335156"	779.209829	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Cl+NaCOOH"	102.956829
"926092"	789.238586	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M-H+CF3COOH"	112.985586
"1303280"	825.215264	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Cl+CF3COOH"	148.962264
"1380348"	641.240324	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H-2H2O"	-35.012676
"1396627"	659.2503	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H-H2O"	-17.0027
"295342"	1353.513276	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+H"	1.007276
"689829"	2029.766276	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+H"	1.007276
"1363020"	677.260276	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H"	1.007276
"138098"	677.260276	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+2H"	2.014552
"575471"	1015.386776	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+2H"	2.014552
"1049737"	339.133776	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2H"	2.014552
"219546"	451.842609333333	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+3H"	3.021828
"657200"	677.260276	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+3H"	3.021828
"1174232"	226.424942666667	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+3H"	3.021828
"430942"	1370.539823	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+NH4"	18.033823
"794125"	2046.792823	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+NH4"	18.033823
"1689362"	694.286823	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+NH4"	18.033823
"338733"	685.7735495	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+H+NH4"	19.041099
"730429"	1023.9000495	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+H+NH4"	19.041099
"1479872"	347.6470495	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H+NH4"	19.041099
"396004"	1375.495218	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+Na"	22.989218
"759187"	2051.748218	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+Na"	22.989218
"1610566"	699.242218	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Na"	22.989218
"322786"	688.251247	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+H+Na"	23.996494
"717395"	1026.377747	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+H+Na"	23.996494
"1469030"	350.124747	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H+Na"	23.996494
"1060090"	233.752256666667	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2H+Na"	25.00377
"1266140"	709.286486	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+CH3OH+H"	33.033486
"387996"	1391.469158	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+K"	38.963158
"747899"	2067.722158	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+K"	38.963158
"1553230"	715.216158	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+K"	38.963158
"311500"	696.238217	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+H+K"	39.970434
"694089"	1034.364717	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+H+K"	39.970434
"1451189"	358.111717	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H+K"	39.970434
"245258"	1394.539826	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+ACN+H"	42.033826
"1221979"	718.286826	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+ACN+H"	42.033826
"1200758"	359.647051	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+ACN+2H"	43.041102
"198004"	1397.47716	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+2Na-H"	44.97116
"639750"	2073.73016	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+2Na-H"	44.97116
"1144716"	721.22416	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2Na-H"	44.97116
"187645"	699.242218	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+2Na"	45.978436
"622825"	1037.368718	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+2Na"	45.978436
"1125246"	361.115718	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2Na"	45.978436
"1408770"	241.079570666667	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H+2Na"	46.985712
"1444174"	723.265746	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H+HCOOH"	47.012746
"234600"	704.27524	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+3H2O+2H"	56.04448
"1523751"	737.31779	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+IsoProp+H"	61.06479
"418334"	707.229188	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+Na+K"	61.952376
"776051"	1045.355688	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+Na+K"	61.952376
"1674570"	369.102688	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Na+K"	61.952376
"259995"	1416.521768	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+ACN+Na"	64.015768
"1233797"	740.268768	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+ACN+Na"	64.015768
"1723778"	740.292293	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+NH4+HCOOH"	64.039293
"1188038"	248.406884666667	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+3Na"	68.967654
"1660119"	745.247688	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Na+HCOOH"	68.994688
"168077"	1429.42504	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+2K-H"	76.91904
"606909"	2105.67804	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+2K-H"	76.91904
"1093612"	753.17204	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2K-H"	76.91904
"150063"	715.216158	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"2M+2K"	77.926316
"586341"	1053.342658	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"3M+2K"	77.926316
"1069269"	377.089658	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2K"	77.926316
"1100534"	755.186592	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2K+H"	78.933592
"1338250"	755.274207	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+DMSO+H"	79.021207
"1006053"	759.313376	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2ACN+H"	83.060376
"1524463"	760.307008	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+IsoProp+Na+H"	84.054008
"998657"	380.160326	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+2ACN+2H"	84.067652
"1592430"	761.221628	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+K+HCOOH"	84.968628
"1422465"	791.253138	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+H+CF3COOH"	115.000138
"1152754"	400.673601	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+3ACN+2H"	125.094202
"1707776"	808.279685	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+NH4+CF3COOH"	132.026685
"1639053"	813.23508	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+Na+CF3COOH"	136.98208
"1575797"	829.20902	"C12954"	"Dilazep dihydrochloride"	"C31H44N2O102HCl"	"676.253"	"M+K+CF3COOH"	152.95602
"814548"	220.1212	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M"	0
"984071"	201.10281	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-H2O-H"	-19.01839
"74503"	145.740190666667	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M-3H"	-3.021828
"515156"	219.113924	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M-3H"	-3.021828
"891864"	72.3664573333333	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-3H"	-3.021828
"10439"	219.113924	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M-2H"	-2.014552
"448906"	329.174524	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M-2H"	-2.014552
"831817"	109.053324	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-2H"	-2.014552
"93634"	439.235124	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M-H"	-1.007276
"528454"	659.356324	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M-H"	-1.007276
"902975"	219.113924	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-H"	-1.007276
"50789"	456.261671	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M-2H+NH4"	16.019271
"493630"	676.382871	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M-2H+NH4"	16.019271
"868151"	236.140471	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-2H+NH4"	16.019271
"38239"	461.217066	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M-2H+Na"	20.974666
"478893"	681.338266	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M-2H+Na"	20.974666
"856694"	241.095866	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-2H+Na"	20.974666
"1621852"	241.095866	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Na-2H"	20.974666
"99474"	237.102263	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M-H+Cl"	33.962126
"545595"	347.162863	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M-H+Cl"	33.962126
"934736"	127.041663	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-H+Cl"	33.962126
"274753"	475.211802	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+Cl"	34.969402
"671187"	695.333002	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+Cl"	34.969402
"1283591"	255.090602	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Cl"	34.969402
"25054"	477.191006	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M-2H+K"	36.948606
"466805"	697.312206	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M-2H+K"	36.948606
"843516"	257.069806	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-2H+K"	36.948606
"1569189"	257.069806	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+K-2H"	36.948606
"955981"	265.119394	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-H+HCOOH"	44.998194
"370913"	485.240601	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+HCOOH-H"	44.998201
"355890"	499.256251	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+Hac-H"	59.013851
"1500348"	279.135051	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Hac-H"	59.013851
"968986"	287.101351	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-H+NaCOOH"	66.980151
"116799"	255.090602	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+2Cl"	69.938804
"553802"	365.151202	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+2Cl"	69.938804
"1024061"	145.030002	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2Cl"	69.938804
"1244001"	299.040085	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Br"	78.918885
"1319711"	301.096072	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Cl+HCOOH"	80.974872
"1333444"	323.078029	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Cl+NaCOOH"	102.956829
"924869"	333.106786	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M-H+CF3COOH"	112.985586
"1303635"	369.083464	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Cl+CF3COOH"	148.962264
"1382485"	185.108524	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H-2H2O"	-35.012676
"1395766"	203.1185	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H-H2O"	-17.0027
"293265"	441.249676	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+H"	1.007276
"688966"	661.370876	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+H"	1.007276
"1362037"	221.128476	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H"	1.007276
"140396"	221.128476	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+2H"	2.014552
"569386"	331.189076	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+2H"	2.014552
"1052035"	111.067876	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2H"	2.014552
"215562"	147.754742666667	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+3H"	3.021828
"652937"	221.128476	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+3H"	3.021828
"1175801"	74.3810093333333	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+3H"	3.021828
"436157"	458.276223	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+NH4"	18.033823
"797153"	678.397423	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+NH4"	18.033823
"1691661"	238.155023	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+NH4"	18.033823
"337752"	229.6417495	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+H+NH4"	19.041099
"731631"	339.7023495	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+H+NH4"	19.041099
"1488005"	119.5811495	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H+NH4"	19.041099
"402676"	463.231618	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+Na"	22.989218
"758929"	683.352818	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+Na"	22.989218
"1608486"	243.110418	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Na"	22.989218
"321805"	232.119447	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+H+Na"	23.996494
"714225"	342.180047	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+H+Na"	23.996494
"1472422"	122.058847	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H+Na"	23.996494
"1063480"	81.7083233333333	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2H+Na"	25.00377
"1268439"	253.154686	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+CH3OH+H"	33.033486
"387016"	479.205558	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+K"	38.963158
"749104"	699.326758	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+K"	38.963158
"1547876"	259.084358	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+K"	38.963158
"310519"	240.106417	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+H+K"	39.970434
"701851"	350.167017	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+H+K"	39.970434
"1456765"	130.045817	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H+K"	39.970434
"249743"	482.276226	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+ACN+H"	42.033826
"1223911"	262.155026	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+ACN+H"	42.033826
"1203056"	131.581151	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+ACN+2H"	43.041102
"198844"	485.21356	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+2Na-H"	44.97116
"638768"	705.33476	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+2Na-H"	44.97116
"1143731"	265.09236	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2Na-H"	44.97116
"184109"	243.110418	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+2Na"	45.978436
"623664"	353.171018	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+2Na"	45.978436
"1127534"	133.049818	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2Na"	45.978436
"1413501"	89.0356373333333	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H+2Na"	46.985712
"1444888"	267.133946	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H+HCOOH"	47.012746
"234709"	248.14344	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+3H2O+2H"	56.04448
"1523378"	281.18599	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+IsoProp+H"	61.06479
"421363"	251.097388	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+Na+K"	61.952376
"777254"	361.157988	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+Na+K"	61.952376
"1672492"	141.036788	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Na+K"	61.952376
"260105"	504.258168	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+ACN+Na"	64.015768
"1233907"	284.136968	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+ACN+Na"	64.015768
"1723886"	284.160493	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+NH4+HCOOH"	64.039293
"1185961"	96.3629513333333	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+3Na"	68.967654
"1658044"	289.115888	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Na+HCOOH"	68.994688
"167456"	517.16144	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+2K-H"	76.91904
"603371"	737.28264	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+2K-H"	76.91904
"1092628"	297.04024	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2K-H"	76.91904
"149078"	259.084358	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"2M+2K"	77.926316
"584264"	369.144958	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"3M+2K"	77.926316
"1069258"	149.023758	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2K"	77.926316
"1100766"	299.054792	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2K+H"	78.933592
"1338363"	299.142407	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+DMSO+H"	79.021207
"1007259"	303.181576	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2ACN+H"	83.060376
"1524898"	304.175208	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+IsoProp+Na+H"	84.054008
"996944"	152.094426	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+2ACN+2H"	84.067652
"1592540"	305.089828	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+K+HCOOH"	84.968628
"1417106"	335.121338	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+H+CF3COOH"	115.000138
"1150676"	172.607701	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+3ACN+2H"	125.094202
"1698769"	352.147885	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+NH4+CF3COOH"	132.026685
"1639163"	357.10328	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+Na+CF3COOH"	136.98208
"1575907"	373.07722	"C12958"	"Phenylacetylglycine dimethylamide;Ralgin"	"C12H16N2O2"	"220.1212"	"M+K+CF3COOH"	152.95602
"815026"	444.226	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M"	0
"985277"	425.20761	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-H2O-H"	-19.01839
"65867"	295.143390666667	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M-3H"	-3.021828
"508708"	443.218724	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M-3H"	-3.021828
"889789"	147.068057333333	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-3H"	-3.021828
"15290"	443.218724	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M-2H"	-2.014552
"447923"	665.331724	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M-2H"	-2.014552
"831927"	221.105724	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-2H"	-2.014552
"94067"	887.444724	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M-H"	-1.007276
"529657"	1331.670724	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M-H"	-1.007276
"908553"	443.218724	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-H"	-1.007276
"57461"	904.471271	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M-2H+NH4"	16.019271
"495927"	1348.697271	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M-2H+NH4"	16.019271
"877011"	460.245271	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-2H+NH4"	16.019271
"36163"	909.426666	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M-2H+Na"	20.974666
"479004"	1353.652666	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M-2H+Na"	20.974666
"853525"	465.200666	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-2H+Na"	20.974666
"1626337"	465.200666	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Na-2H"	20.974666
"103959"	461.207063	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M-H+Cl"	33.962126
"545705"	683.320063	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M-H+Cl"	33.962126
"940314"	239.094063	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-H+Cl"	33.962126
"277779"	923.421402	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+Cl"	34.969402
"670203"	1367.647402	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+Cl"	34.969402
"1281511"	479.195402	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Cl"	34.969402
"26257"	925.400606	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M-2H+K"	36.948606
"466915"	1369.626606	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M-2H+K"	36.948606
"846539"	481.174606	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-2H+K"	36.948606
"1564924"	481.174606	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+K-2H"	36.948606
"957185"	489.224194	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-H+HCOOH"	44.998194
"371752"	933.450201	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+HCOOH-H"	44.998201
"361214"	947.465851	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+Hac-H"	59.013851
"1503374"	503.239851	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Hac-H"	59.013851
"971284"	511.206151	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-H+NaCOOH"	66.980151
"118004"	479.195402	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+2Cl"	69.938804
"554283"	701.308402	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+2Cl"	69.938804
"1025268"	257.082402	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2Cl"	69.938804
"1243751"	523.144885	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Br"	78.918885
"1319453"	525.200872	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Cl+HCOOH"	80.974872
"1331367"	547.182829	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Cl+NaCOOH"	102.956829
"926193"	557.211586	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M-H+CF3COOH"	112.985586
"1302777"	593.188264	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Cl+CF3COOH"	148.962264
"1381299"	409.213324	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H-2H2O"	-35.012676
"1396607"	427.2233	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H-H2O"	-17.0027
"295565"	889.459276	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+H"	1.007276
"689810"	1333.685276	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+H"	1.007276
"1366039"	445.233276	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H"	1.007276
"140142"	445.233276	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+2H"	2.014552
"574599"	667.346276	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+2H"	2.014552
"1050688"	223.120276	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2H"	2.014552
"217496"	297.157942666667	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+3H"	3.021828
"653048"	445.233276	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+3H"	3.021828
"1172266"	149.082609333333	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+3H"	3.021828
"438093"	906.485823	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+NH4"	18.033823
"797630"	1350.711823	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+NH4"	18.033823
"1693231"	462.259823	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+NH4"	18.033823
"342602"	453.7465495	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+H+NH4"	19.041099
"734294"	675.8595495	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+H+NH4"	19.041099
"1488115"	231.6335495	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H+NH4"	19.041099
"402787"	911.441218	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+Na"	22.989218
"759039"	1355.667218	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+Na"	22.989218
"1608959"	467.215218	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Na"	22.989218
"318634"	456.224247	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+H+Na"	23.996494
"716524"	678.337247	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+H+Na"	23.996494
"1475450"	234.111247	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H+Na"	23.996494
"1061405"	156.409923333333	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2H+Na"	25.00377
"1269644"	477.259486	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+CH3OH+H"	33.033486
"384938"	927.415158	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+K"	38.963158
"748121"	1371.641158	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+K"	38.963158
"1547986"	483.189158	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+K"	38.963158
"311722"	464.211217	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+H+K"	39.970434
"703054"	686.324217	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+H+K"	39.970434
"1457969"	242.098217	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H+K"	39.970434
"246572"	930.485826	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+ACN+H"	42.033826
"1220373"	486.259826	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+ACN+H"	42.033826
"1204989"	243.633551	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+ACN+2H"	43.041102
"200045"	933.42316	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+2Na-H"	44.97116
"641431"	1377.64916	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+2Na-H"	44.97116
"1144939"	489.19716	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2Na-H"	44.97116
"186043"	467.215218	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+2Na"	45.978436
"620132"	689.328218	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+2Na"	45.978436
"1121818"	245.102218	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2Na"	45.978436
"1408990"	163.737237333333	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H+2Na"	46.985712
"1441106"	491.238746	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H+HCOOH"	47.012746
"235387"	472.24824	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+3H2O+2H"	56.04448
"1524133"	505.29079	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+IsoProp+H"	61.06479
"422932"	475.202188	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+Na+K"	61.952376
"782467"	697.315188	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+Na+K"	61.952376
"1675881"	253.089188	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Na+K"	61.952376
"262402"	952.467768	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+ACN+Na"	64.015768
"1237297"	508.241768	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+ACN+Na"	64.015768
"1723996"	508.265293	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+NH4+HCOOH"	64.039293
"1188258"	171.064551333333	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+3Na"	68.967654
"1659248"	513.220688	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Na+HCOOH"	68.994688
"167203"	965.37104	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+2K-H"	76.91904
"600567"	1409.59704	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+2K-H"	76.91904
"1092373"	521.14504	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2K-H"	76.91904
"145908"	483.189158	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"2M+2K"	77.926316
"587656"	705.302158	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"3M+2K"	77.926316
"1072168"	261.076158	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2K"	77.926316
"1103186"	523.159592	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2K+H"	78.933592
"1338479"	523.247207	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+DMSO+H"	79.021207
"1006276"	527.286376	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2ACN+H"	83.060376
"1526592"	528.280008	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+IsoProp+Na+H"	84.054008
"993779"	264.146826	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+2ACN+2H"	84.067652
"1593746"	529.194628	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+K+HCOOH"	84.968628
"1423781"	559.226138	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+H+CF3COOH"	115.000138
"1152974"	284.660101	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+3ACN+2H"	125.094202
"1699612"	576.252685	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+NH4+CF3COOH"	132.026685
"1639273"	581.20808	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+Na+CF3COOH"	136.98208
"1576016"	597.18202	"C12959"	"Dimetacrine tartrate;Dimetacrine bitartrate"	"C20H26N2C4H6O6"	"444.226"	"M+K+CF3COOH"	152.95602
"814768"	598.1649	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M"	0
"985386"	579.14651	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-H2O-H"	-19.01839
"68164"	397.769324	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M-3H"	-3.021828
"512098"	597.157624	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M-3H"	-3.021828
"886619"	198.381024	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-3H"	-3.021828
"14997"	597.157624	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M-2H"	-2.014552
"448033"	896.240074	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M-2H"	-2.014552
"830215"	298.075174	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-2H"	-2.014552
"94098"	1195.322524	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M-H"	-1.007276
"529768"	1793.487424	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M-H"	-1.007276
"908663"	597.157624	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-H"	-1.007276
"58665"	1212.349071	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M-2H+NH4"	16.019271
"492758"	1810.513971	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M-2H+NH4"	16.019271
"877121"	614.184171	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-2H+NH4"	16.019271
"38460"	1217.304466	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M-2H+Na"	20.974666
"482394"	1815.469366	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M-2H+Na"	20.974666
"853635"	619.139566	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-2H+Na"	20.974666
"1629727"	619.139566	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Na-2H"	20.974666
"108930"	615.145963	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M-H+Cl"	33.962126
"548367"	914.228413	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M-H+Cl"	33.962126
"941275"	316.063513	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-H+Cl"	33.962126
"280076"	1231.299202	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+Cl"	34.969402
"672499"	1829.464102	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+Cl"	34.969402
"1282714"	633.134302	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Cl"	34.969402
"26367"	1233.278406	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M-2H+K"	36.948606
"465932"	1831.443306	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M-2H+K"	36.948606
"841546"	635.113506	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-2H+K"	36.948606
"1563940"	635.113506	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+K-2H"	36.948606
"956929"	643.163094	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-H+HCOOH"	44.998194
"374049"	1241.328001	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+HCOOH-H"	44.998201
"355746"	1255.343651	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+Hac-H"	59.013851
"1503484"	657.178751	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Hac-H"	59.013851
"970300"	665.145051	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-H+NaCOOH"	66.980151
"119207"	633.134302	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+2Cl"	69.938804
"556579"	932.216752	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+2Cl"	69.938804
"1023555"	334.051852	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2Cl"	69.938804
"1242767"	677.083785	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Br"	78.918885
"1319078"	679.139772	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Cl+HCOOH"	80.974872
"1330385"	701.121729	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Cl+NaCOOH"	102.956829
"925452"	711.150486	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M-H+CF3COOH"	112.985586
"1303009"	747.127164	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Cl+CF3COOH"	148.962264
"1380680"	563.152224	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H-2H2O"	-35.012676
"1397570"	581.1622	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H-H2O"	-17.0027
"295674"	1197.337076	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+H"	1.007276
"691094"	1795.501976	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+H"	1.007276
"1365541"	599.172176	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H"	1.007276
"139159"	599.172176	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+2H"	2.014552
"572523"	898.254626	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+2H"	2.014552
"1051287"	300.089726	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2H"	2.014552
"217850"	399.783876	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+3H"	3.021828
"650972"	599.172176	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+3H"	3.021828
"1174565"	200.395576	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+3H"	3.021828
"438081"	1214.363623	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+NH4"	18.033823
"796646"	1812.528523	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+NH4"	18.033823
"1692976"	616.198723	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+NH4"	18.033823
"341619"	607.6854495	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+H+NH4"	19.041099
"734405"	906.7678995	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+H+NH4"	19.041099
"1487495"	308.6029995	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H+NH4"	19.041099
"402895"	1219.319018	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+Na"	22.989218
"758421"	1817.483918	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+Na"	22.989218
"1606154"	621.154118	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Na"	22.989218
"317285"	610.163147	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+H+Na"	23.996494
"713353"	909.245597	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+H+Na"	23.996494
"1468270"	311.080697	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H+Na"	23.996494
"1060422"	207.72289	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2H+Na"	25.00377
"1268661"	631.198386	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+CH3OH+H"	33.033486
"382862"	1235.292958	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+K"	38.963158
"749324"	1833.457858	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+K"	38.963158
"1545910"	637.128058	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+K"	38.963158
"307460"	618.150117	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+H+K"	39.970434
"700978"	917.232567	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+H+K"	39.970434
"1455893"	319.067667	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H+K"	39.970434
"244495"	1238.363626	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+ACN+H"	42.033826
"1220119"	640.198726	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+ACN+H"	42.033826
"1207286"	320.603001	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+ACN+2H"	43.041102
"201249"	1241.30096	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+2Na-H"	44.97116
"641174"	1839.46586	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+2Na-H"	44.97116
"1146674"	643.13606	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2Na-H"	44.97116
"186640"	621.154118	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+2Na"	45.978436
"623156"	920.236568	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+2Na"	45.978436
"1123387"	322.071668	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2Na"	45.978436
"1409100"	215.050204	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H+2Na"	46.985712
"1440123"	645.177646	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H+HCOOH"	47.012746
"235251"	626.18714	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+3H2O+2H"	56.04448
"1523231"	659.22969	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+IsoProp+H"	61.06479
"424100"	629.141088	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+Na+K"	61.952376
"782942"	928.223538	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+Na+K"	61.952376
"1677085"	330.058638	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Na+K"	61.952376
"262512"	1260.345568	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+ACN+Na"	64.015768
"1237407"	662.180668	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+ACN+Na"	64.015768
"1723013"	662.204193	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+NH4+HCOOH"	64.039293
"1188369"	222.377518	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+3Na"	68.967654
"1659357"	667.159588	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Na+HCOOH"	68.994688
"166948"	1273.24884	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+2K-H"	76.91904
"602500"	1871.41374	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+2K-H"	76.91904
"1092483"	675.08394	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2K-H"	76.91904
"146018"	637.128058	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"2M+2K"	77.926316
"587766"	936.210508	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"3M+2K"	77.926316
"1070091"	338.045608	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2K"	77.926316
"1103296"	677.098492	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2K+H"	78.933592
"1340775"	677.186107	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+DMSO+H"	79.021207
"1005735"	681.225276	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2ACN+H"	83.060376
"1526702"	682.218908	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+IsoProp+Na+H"	84.054008
"993889"	341.116276	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+2ACN+2H"	84.067652
"1593855"	683.133528	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+K+HCOOH"	84.968628
"1423891"	713.165038	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+H+CF3COOH"	115.000138
"1151991"	361.629551	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+3ACN+2H"	125.094202
"1697900"	730.191585	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+NH4+CF3COOH"	132.026685
"1641570"	735.14698	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+Na+CF3COOH"	136.98208
"1575033"	751.12092	"C12961"	"Dexamethazone metasulfobenzoate sodium;Dexamethasone metasulfobenzoate sodium"	"C29H32FO9SNa"	"598.1649"	"M+K+CF3COOH"	152.95602
"816704"	375.1834	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M"	0
"985496"	356.16501	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-H2O-H"	-19.01839
"77022"	249.114990666667	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M-3H"	-3.021828
"515488"	374.176124	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M-3H"	-3.021828
"894994"	124.053857333333	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-3H"	-3.021828
"14052"	374.176124	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M-2H"	-2.014552
"453978"	561.767824	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M-2H"	-2.014552
"832481"	186.584424	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-2H"	-2.014552
"89223"	749.359524	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M-H"	-1.007276
"529877"	1124.542924	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M-H"	-1.007276
"903305"	374.176124	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-H"	-1.007276
"58774"	766.386071	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M-2H+NH4"	16.019271
"493232"	1141.569471	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M-2H+NH4"	16.019271
"875044"	391.202671	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-2H+NH4"	16.019271
"38570"	771.341466	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M-2H+Na"	20.974666
"476308"	1146.524866	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M-2H+Na"	20.974666
"851922"	396.158066	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-2H+Na"	20.974666
"1625463"	396.158066	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Na-2H"	20.974666
"99077"	392.164463	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M-H+Cl"	33.962126
"540459"	579.756163	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M-H+Cl"	33.962126
"936160"	204.572763	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-H+Cl"	33.962126
"280916"	785.336202	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+Cl"	34.969402
"663862"	1160.519602	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+Cl"	34.969402
"1282824"	410.152802	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Cl"	34.969402
"19916"	787.315406	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M-2H+K"	36.948606
"468229"	1162.498806	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M-2H+K"	36.948606
"841656"	412.132006	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-2H+K"	36.948606
"1559676"	412.132006	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+K-2H"	36.948606
"956309"	420.181594	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-H+HCOOH"	44.998194
"371972"	795.365001	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+HCOOH-H"	44.998201
"354033"	809.380651	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+Hac-H"	59.013851
"1500678"	434.197251	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Hac-H"	59.013851
"970410"	442.163551	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-H+NaCOOH"	66.980151
"118224"	410.152802	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+2Cl"	69.938804
"554502"	597.744502	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+2Cl"	69.938804
"1023301"	222.561102	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2Cl"	69.938804
"1242148"	454.102285	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Br"	78.918885
"1318455"	456.158272	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Cl+HCOOH"	80.974872
"1330494"	478.140229	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Cl+NaCOOH"	102.956829
"926289"	488.168986	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M-H+CF3COOH"	112.985586
"1302633"	524.145664	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Cl+CF3COOH"	148.962264
"1380792"	340.170724	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H-2H2O"	-35.012676
"1393918"	358.1807	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H-H2O"	-17.0027
"297488"	751.374076	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+H"	1.007276
"689301"	1126.557476	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+H"	1.007276
"1366017"	376.190676	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H"	1.007276
"139270"	376.190676	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+2H"	2.014552
"574820"	563.782376	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+2H"	2.014552
"1051639"	188.598976	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2H"	2.014552
"214802"	251.129542666667	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+3H"	3.021828
"649990"	376.190676	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+3H"	3.021828
"1175408"	126.068409333333	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+3H"	3.021828
"437222"	768.400623	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+NH4"	18.033823
"798949"	1143.584023	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+NH4"	18.033823
"1693089"	393.217223	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+NH4"	18.033823
"342098"	384.7039495	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+H+NH4"	19.041099
"734881"	572.2956495	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+H+NH4"	19.041099
"1487606"	197.1122495	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H+NH4"	19.041099
"400818"	773.356018	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+Na"	22.989218
"764001"	1148.539418	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+Na"	22.989218
"1607726"	398.172618	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Na"	22.989218
"318856"	387.181647	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+H+Na"	23.996494
"714558"	574.773347	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+H+Na"	23.996494
"1465101"	199.589947	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H+Na"	23.996494
"1063812"	133.395723333333	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2H+Na"	25.00377
"1268771"	408.216886	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+CH3OH+H"	33.033486
"382971"	789.329958	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+K"	38.963158
"749434"	1164.513358	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+K"	38.963158
"1549300"	414.146558	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+K"	38.963158
"308663"	395.168617	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+H+K"	39.970434
"701086"	582.760317	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+H+K"	39.970434
"1458556"	207.576917	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H+K"	39.970434
"248615"	792.400626	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+ACN+H"	42.033826
"1221323"	417.217226	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+ACN+H"	42.033826
"1209345"	209.112251	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+ACN+2H"	43.041102
"200632"	795.33796	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+2Na-H"	44.97116
"642140"	1170.52136	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+2Na-H"	44.97116
"1143823"	420.15456	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2Na-H"	44.97116
"184803"	398.172618	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+2Na"	45.978436
"619623"	585.764318	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+2Na"	45.978436
"1123496"	210.580918	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2Na"	45.978436
"1412492"	140.723037333333	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H+2Na"	46.985712
"1440233"	422.196146	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H+HCOOH"	47.012746
"233088"	403.20564	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+3H2O+2H"	56.04448
"1523342"	436.24819	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+IsoProp+H"	61.06479
"422786"	406.159588	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+Na+K"	61.952376
"784636"	593.751288	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+Na+K"	61.952376
"1677196"	218.567888	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Na+K"	61.952376
"262622"	814.382568	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+ACN+Na"	64.015768
"1238248"	439.199168	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+ACN+Na"	64.015768
"1724585"	439.222693	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+NH4+HCOOH"	64.039293
"1188481"	148.050351333333	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+3Na"	68.967654
"1661656"	444.178088	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Na+HCOOH"	68.994688
"164872"	827.28584	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+2K-H"	76.91904
"601517"	1202.46924	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+2K-H"	76.91904
"1089680"	452.10244	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2K-H"	76.91904
"141876"	414.146558	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"2M+2K"	77.926316
"584596"	601.738258	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"3M+2K"	77.926316
"1070201"	226.554858	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2K"	77.926316
"1102312"	454.116992	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2K+H"	78.933592
"1337606"	454.204607	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+DMSO+H"	79.021207
"1007225"	458.243776	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2ACN+H"	83.060376
"1526448"	459.237408	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+IsoProp+Na+H"	84.054008
"999462"	229.625526	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+2ACN+2H"	84.067652
"1593967"	460.152028	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+K+HCOOH"	84.968628
"1421811"	490.183538	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+H+CF3COOH"	115.000138
"1151007"	250.138801	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+3ACN+2H"	125.094202
"1698496"	507.210085	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+NH4+CF3COOH"	132.026685
"1634509"	512.16548	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+Na+CF3COOH"	136.98208
"1571861"	528.13942	"C12962"	"Cyphenothrin"	"C24H25NO3"	"375.1834"	"M+K+CF3COOH"	152.95602
"815352"	712.5794	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M"	0
"985606"	693.56101	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-H2O-H"	-19.01839
"76039"	474.045657333333	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M-3H"	-3.021828
"515599"	711.572124	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M-3H"	-3.021828
"894494"	236.519190666667	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-3H"	-3.021828
"14771"	711.572124	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M-2H"	-2.014552
"451536"	1067.861824	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M-2H"	-2.014552
"831046"	355.282424	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-2H"	-2.014552
"88239"	1424.151524	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M-H"	-1.007276
"529987"	2136.730924	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M-H"	-1.007276
"906695"	711.572124	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-H"	-1.007276
"58884"	1441.178071	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M-2H+NH4"	16.019271
"496258"	2153.757471	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M-2H+NH4"	16.019271
"877341"	728.598671	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-2H+NH4"	16.019271
"38680"	1446.133466	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M-2H+Na"	20.974666
"479334"	2158.712866	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M-2H+Na"	20.974666
"850573"	733.554066	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-2H+Na"	20.974666
"1622293"	733.554066	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Na-2H"	20.974666
"104289"	729.560463	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M-H+Cl"	33.962126
"543850"	1085.850163	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M-H+Cl"	33.962126
"940644"	373.270763	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-H+Cl"	33.962126
"278109"	1460.128202	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+Cl"	34.969402
"663972"	2172.707602	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+Cl"	34.969402
"1284027"	747.548802	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Cl"	34.969402
"20026"	1462.107406	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M-2H+K"	36.948606
"467245"	2174.686806	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M-2H+K"	36.948606
"843953"	749.528006	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-2H+K"	36.948606
"1560880"	749.528006	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+K-2H"	36.948606
"955324"	757.577594	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-H+HCOOH"	44.998194
"371353"	1470.157001	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+HCOOH-H"	44.998201
"353050"	1484.172651	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+Hac-H"	59.013851
"1500788"	771.593251	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Hac-H"	59.013851
"970520"	779.559551	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-H+NaCOOH"	66.980151
"118334"	747.548802	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+2Cl"	69.938804
"554612"	1103.838502	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+2Cl"	69.938804
"1023411"	391.259102	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2Cl"	69.938804
"1242988"	791.498285	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Br"	78.918885
"1317471"	793.554272	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Cl+HCOOH"	80.974872
"1334246"	815.536229	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Cl+NaCOOH"	102.956829
"926641"	825.564986	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M-H+CF3COOH"	112.985586
"1302739"	861.541664	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Cl+CF3COOH"	148.962264
"1380539"	677.566724	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H-2H2O"	-35.012676
"1397186"	695.5767	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H-H2O"	-17.0027
"298206"	1426.166076	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+H"	1.007276
"690871"	2138.745476	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+H"	1.007276
"1364668"	713.586676	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H"	1.007276
"140596"	713.586676	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+2H"	2.014552
"577116"	1069.876376	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+2H"	2.014552
"1052117"	357.296976	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2H"	2.014552
"214912"	476.060209333333	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+3H"	3.021828
"655567"	713.586676	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+3H"	3.021828
"1175880"	238.533742666667	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+3H"	3.021828
"438914"	1443.192623	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+NH4"	18.033823
"799055"	2155.772023	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+NH4"	18.033823
"1694292"	730.613223	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+NH4"	18.033823
"342572"	722.0999495	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+H+NH4"	19.041099
"734991"	1078.3896495	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+H+NH4"	19.041099
"1487715"	365.8102495	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H+NH4"	19.041099
"399837"	1448.148018	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+Na"	22.989218
"761924"	2160.727418	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+Na"	22.989218
"1606744"	735.568618	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Na"	22.989218
"318967"	724.577647	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+H+Na"	23.996494
"714668"	1080.867347	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+H+Na"	23.996494
"1466303"	368.287947	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H+Na"	23.996494
"1063922"	245.861056666667	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2H+Na"	25.00377
"1263412"	745.612886	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+CH3OH+H"	33.033486
"383082"	1464.121958	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+K"	38.963158
"749544"	2176.701358	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+K"	38.963158
"1550503"	751.542558	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+K"	38.963158
"308773"	732.564617	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+H+K"	39.970434
"699010"	1088.854317	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+H+K"	39.970434
"1459761"	376.274917	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H+K"	39.970434
"248361"	1467.192626	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+ACN+H"	42.033826
"1221799"	754.613226	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+ACN+H"	42.033826
"1208604"	377.810251	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+ACN+2H"	43.041102
"199647"	1470.12996	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+2Na-H"	44.97116
"639936"	2182.70936	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+2Na-H"	44.97116
"1140529"	757.55056	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2Na-H"	44.97116
"187592"	735.568618	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+2Na"	45.978436
"622282"	1091.858318	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+2Na"	45.978436
"1122515"	379.278918	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2Na"	45.978436
"1413337"	253.188370666667	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H+2Na"	46.985712
"1445176"	759.592146	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H+HCOOH"	47.012746
"235545"	740.60164	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+3H2O+2H"	56.04448
"1523460"	773.64419	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+IsoProp+H"	61.06479
"423019"	743.555588	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+Na+K"	61.952376
"784867"	1099.845288	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+Na+K"	61.952376
"1677307"	387.265888	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Na+K"	61.952376
"261638"	1489.174568	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+ACN+Na"	64.015768
"1239450"	776.595168	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+ACN+Na"	64.015768
"1727129"	776.618693	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+NH4+HCOOH"	64.039293
"1191143"	260.515684666667	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+3Na"	68.967654
"1661765"	781.574088	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Na+HCOOH"	68.994688
"169720"	1502.07784	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+2K-H"	76.91904
"604907"	2214.65724	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+2K-H"	76.91904
"1089427"	789.49844	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2K-H"	76.91904
"143079"	751.542558	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"2M+2K"	77.926316
"584706"	1107.832258	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"3M+2K"	77.926316
"1070311"	395.252858	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2K"	77.926316
"1102787"	791.512992	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2K+H"	78.933592
"1338809"	791.600607	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+DMSO+H"	79.021207
"1008429"	795.639776	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2ACN+H"	83.060376
"1525830"	796.633408	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+IsoProp+Na+H"	84.054008
"999572"	398.323526	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+2ACN+2H"	84.067652
"1596262"	797.548028	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+K+HCOOH"	84.968628
"1420829"	827.579538	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+H+CF3COOH"	115.000138
"1150024"	418.836801	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+3ACN+2H"	125.094202
"1699576"	844.606085	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+NH4+CF3COOH"	132.026685
"1635227"	849.56148	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+Na+CF3COOH"	136.98208
"1572088"	865.53542	"C12967"	"Tocoretinate;Tretinoin tocoferil"	"C49H76O3"	"712.5794"	"M+K+CF3COOH"	152.95602
"815099"	388.3705	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M"	0
"986809"	369.35211	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-H2O-H"	-19.01839
"76149"	257.906390666667	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M-3H"	-3.021828
"515708"	387.363224	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M-3H"	-3.021828
"894362"	128.449557333333	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-3H"	-3.021828
"14760"	387.363224	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M-2H"	-2.014552
"451646"	581.548474	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M-2H"	-2.014552
"827265"	193.177974	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-2H"	-2.014552
"79965"	775.733724	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M-H"	-1.007276
"529003"	1164.104224	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M-H"	-1.007276
"903525"	387.363224	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-H"	-1.007276
"58994"	792.760271	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M-2H+NH4"	16.019271
"493452"	1181.130771	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M-2H+NH4"	16.019271
"877451"	404.389771	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-2H+NH4"	16.019271
"39883"	797.715666	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M-2H+Na"	20.974666
"479444"	1186.086166	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M-2H+Na"	20.974666
"850683"	409.345166	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-2H+Na"	20.974666
"1620214"	409.345166	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Na-2H"	20.974666
"104399"	405.351563	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M-H+Cl"	33.962126
"541772"	599.536813	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M-H+Cl"	33.962126
"937474"	211.166313	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-H+Cl"	33.962126
"278219"	811.710402	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+Cl"	34.969402
"665175"	1200.080902	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+Cl"	34.969402
"1284137"	423.339902	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Cl"	34.969402
"28881"	813.689606	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M-2H+K"	36.948606
"465168"	1202.060106	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M-2H+K"	36.948606
"841876"	425.319106	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-2H+K"	36.948606
"1559896"	425.319106	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+K-2H"	36.948606
"952154"	433.368694	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-H+HCOOH"	44.998194
"369276"	821.739201	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+HCOOH-H"	44.998201
"354253"	835.754851	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+Hac-H"	59.013851
"1498711"	447.384351	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Hac-H"	59.013851
"971359"	455.350651	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-H+NaCOOH"	66.980151
"118443"	423.339902	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+2Cl"	69.938804
"552535"	617.525152	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+2Cl"	69.938804
"1023521"	229.154652	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2Cl"	69.938804
"1243097"	467.289385	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Br"	78.918885
"1317581"	469.345372	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Cl+HCOOH"	80.974872
"1334721"	491.327329	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Cl+NaCOOH"	102.956829
"924680"	501.356086	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M-H+CF3COOH"	112.985586
"1303862"	537.332764	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Cl+CF3COOH"	148.962264
"1382593"	353.357824	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H-2H2O"	-35.012676
"1396322"	371.3678	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H-H2O"	-17.0027
"297828"	777.748276	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+H"	1.007276
"689521"	1166.118776	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+H"	1.007276
"1364778"	389.377776	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H"	1.007276
"136573"	389.377776	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+2H"	2.014552
"579049"	583.563026	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+2H"	2.014552
"1051981"	195.192526	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2H"	2.014552
"218668"	259.920942666667	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+3H"	3.021828
"655676"	389.377776	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+3H"	3.021828
"1175625"	130.464109333333	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+3H"	3.021828
"437805"	794.774823	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+NH4"	18.033823
"800946"	1183.145323	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+NH4"	18.033823
"1693305"	406.404323	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+NH4"	18.033823
"343773"	397.8910495	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+H+NH4"	19.041099
"737286"	592.0762995	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+H+NH4"	19.041099
"1486733"	203.7057995	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H+NH4"	19.041099
"401040"	799.730218	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+Na"	22.989218
"759848"	1188.100718	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+Na"	22.989218
"1604667"	411.359718	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Na"	22.989218
"317984"	400.368747	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+H+Na"	23.996494
"713685"	594.553997	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+H+Na"	23.996494
"1465320"	206.183497	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H+Na"	23.996494
"1065125"	137.791423333333	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2H+Na"	25.00377
"1264615"	421.403986	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+CH3OH+H"	33.033486
"383192"	815.704158	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+K"	38.963158
"749654"	1204.074658	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+K"	38.963158
"1551706"	427.333658	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+K"	38.963158
"312163"	408.355717	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+H+K"	39.970434
"699120"	602.540967	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+H+K"	39.970434
"1460235"	214.170467	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H+K"	39.970434
"249200"	818.774826	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+ACN+H"	42.033826
"1224097"	430.404326	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+ACN+H"	42.033826
"1208471"	215.705801	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+ACN+2H"	43.041102
"200849"	821.71216	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+2Na-H"	44.97116
"640409"	1210.08266	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+2Na-H"	44.97116
"1141732"	433.34166	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2Na-H"	44.97116
"186725"	411.359718	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+2Na"	45.978436
"620206"	605.544968	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+2Na"	45.978436
"1118612"	217.174468	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2Na"	45.978436
"1408337"	145.118737333333	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H+2Na"	46.985712
"1441547"	435.383246	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H+HCOOH"	47.012746
"235103"	416.39274	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+3H2O+2H"	56.04448
"1522953"	449.43529	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+IsoProp+H"	61.06479
"423250"	419.346688	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+Na+K"	61.952376
"784732"	613.531938	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+Na+K"	61.952376
"1678510"	225.161438	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Na+K"	61.952376
"261747"	840.756768	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+ACN+Na"	64.015768
"1239197"	452.386268	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+ACN+Na"	64.015768
"1726628"	452.409793	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+NH4+HCOOH"	64.039293
"1192347"	152.446051333333	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+3Na"	68.967654
"1661511"	457.365188	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Na+HCOOH"	68.994688
"167641"	853.66004	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+2K-H"	76.91904
"601737"	1242.03054	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+2K-H"	76.91904
"1086247"	465.28954	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2K-H"	76.91904
"143068"	427.333658	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"2M+2K"	77.926316
"584816"	621.518908	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"3M+2K"	77.926316
"1071515"	233.148408	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2K"	77.926316
"1102533"	467.304092	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2K+H"	78.933592
"1338919"	467.391707	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+DMSO+H"	79.021207
"1007446"	471.430876	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2ACN+H"	83.060376
"1527762"	472.424508	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+IsoProp+Na+H"	84.054008
"997496"	236.219076	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+2ACN+2H"	84.067652
"1596372"	473.339128	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+K+HCOOH"	84.968628
"1422032"	503.370638	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+H+CF3COOH"	115.000138
"1151227"	256.732351	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+3ACN+2H"	125.094202
"1701872"	520.397185	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+NH4+CF3COOH"	132.026685
"1636432"	525.35258	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+Na+CF3COOH"	136.98208
"1571594"	541.32652	"C12978"	"Epidihydrocholesterin;Epicholestanol"	"C27H48O"	"388.3705"	"M+K+CF3COOH"	152.95602
"815574"	365.1045	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M"	0
"986919"	346.08611	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-H2O-H"	-19.01839
"76259"	242.395724	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M-3H"	-3.021828
"516548"	364.097224	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M-3H"	-3.021828
"895203"	120.694224	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-3H"	-3.021828
"15279"	364.097224	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M-2H"	-2.014552
"451756"	546.649474	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M-2H"	-2.014552
"826282"	181.544974	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-2H"	-2.014552
"80802"	729.201724	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M-H"	-1.007276
"525833"	1094.306224	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M-H"	-1.007276
"901812"	364.097224	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-H"	-1.007276
"59104"	746.228271	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M-2H+NH4"	16.019271
"493562"	1111.332771	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M-2H+NH4"	16.019271
"874281"	381.123771	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-2H+NH4"	16.019271
"39993"	751.183666	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M-2H+Na"	20.974666
"479554"	1116.288166	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M-2H+Na"	20.974666
"850791"	386.079166	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-2H+Na"	20.974666
"1620446"	386.079166	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Na-2H"	20.974666
"104509"	382.085563	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M-H+Cl"	33.962126
"540789"	564.637813	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M-H+Cl"	33.962126
"934304"	199.533313	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-H+Cl"	33.962126
"276142"	765.178402	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+Cl"	34.969402
"667472"	1130.282902	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+Cl"	34.969402
"1282060"	400.073902	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Cl"	34.969402
"26803"	767.157606	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M-2H+K"	36.948606
"465278"	1132.262106	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M-2H+K"	36.948606
"840893"	402.053106	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-2H+K"	36.948606
"1560006"	402.053106	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+K-2H"	36.948606
"952263"	410.102694	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-H+HCOOH"	44.998194
"370479"	775.207201	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+HCOOH-H"	44.998201
"355456"	789.222851	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+Hac-H"	59.013851
"1502101"	424.118351	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Hac-H"	59.013851
"968189"	432.084651	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-H+NaCOOH"	66.980151
"118553"	400.073902	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+2Cl"	69.938804
"552645"	582.626152	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+2Cl"	69.938804
"1023631"	217.521652	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2Cl"	69.938804
"1242719"	444.023385	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Br"	78.918885
"1308939"	446.079372	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Cl+HCOOH"	80.974872
"1335189"	468.061329	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Cl+NaCOOH"	102.956829
"924788"	478.090086	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M-H+CF3COOH"	112.985586
"1303324"	514.066764	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Cl+CF3COOH"	148.962264
"1381972"	330.091824	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H-2H2O"	-35.012676
"1396796"	348.1018	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H-H2O"	-17.0027
"293929"	731.216276	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+H"	1.007276
"685258"	1096.320776	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+H"	1.007276
"1361608"	366.111776	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H"	1.007276
"130851"	366.111776	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+2H"	2.014552
"575151"	548.664026	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+2H"	2.014552
"1047229"	183.559526	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2H"	2.014552
"216224"	244.410276	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+3H"	3.021828
"651411"	366.111776	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+3H"	3.021828
"1168443"	122.708776	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+3H"	3.021828
"436093"	748.242823	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+NH4"	18.033823
"797086"	1113.347323	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+NH4"	18.033823
"1693414"	383.138323	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+NH4"	18.033823
"339509"	374.6250495	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+H+NH4"	19.041099
"728650"	557.1772995	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+H+NH4"	19.041099
"1480283"	192.0727995	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H+NH4"	19.041099
"394224"	753.198218	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+Na"	22.989218
"757769"	1118.302718	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+Na"	22.989218
"1603436"	388.093718	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Na"	22.989218
"316998"	377.102747	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+H+Na"	23.996494
"709421"	559.654997	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+H+Na"	23.996494
"1462514"	194.550497	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H+Na"	23.996494
"1061955"	130.03609	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2H+Na"	25.00377
"1263632"	398.137986	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+CH3OH+H"	33.033486
"386581"	769.172158	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+K"	38.963158
"747577"	1134.276658	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+K"	38.963158
"1547443"	404.067658	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+K"	38.963158
"310085"	385.089717	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+H+K"	39.970434
"703241"	567.641967	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+H+K"	39.970434
"1459251"	202.537467	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H+K"	39.970434
"249677"	772.242826	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+ACN+H"	42.033826
"1223843"	407.138326	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+ACN+H"	42.033826
"1205903"	204.072801	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+ACN+2H"	43.041102
"196585"	775.18016	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+2Na-H"	44.97116
"637240"	1140.28466	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+2Na-H"	44.97116
"1137468"	410.07566	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2Na-H"	44.97116
"181852"	388.093718	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+2Na"	45.978436
"618129"	570.645968	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+2Na"	45.978436
"1116778"	205.541468	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2Na"	45.978436
"1408447"	137.363404	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H+2Na"	46.985712
"1435095"	412.117246	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H+HCOOH"	47.012746
"233176"	393.12674	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+3H2O+2H"	56.04448
"1523427"	426.16929	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+IsoProp+H"	61.06479
"421293"	396.080688	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+Na+K"	61.952376
"785208"	578.632938	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+Na+K"	61.952376
"1681015"	213.528438	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Na+K"	61.952376
"260764"	794.224768	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+ACN+Na"	64.015768
"1238578"	429.120268	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+ACN+Na"	64.015768
"1726007"	429.143793	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+NH4+HCOOH"	64.039293
"1190269"	144.690718	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+3Na"	68.967654
"1663809"	434.099188	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Na+HCOOH"	68.994688
"165201"	807.12804	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+2K-H"	76.91904
"601847"	1172.23254	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+2K-H"	76.91904
"1085505"	442.02354	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2K-H"	76.91904
"146459"	404.067658	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"2M+2K"	77.926316
"587113"	586.619908	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"3M+2K"	77.926316
"1070532"	221.515408	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2K"	77.926316
"1101550"	444.038092	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2K+H"	78.933592
"1337936"	444.125707	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+DMSO+H"	79.021207
"1006947"	448.164876	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2ACN+H"	83.060376
"1525686"	449.158508	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+IsoProp+Na+H"	84.054008
"996513"	224.586076	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+2ACN+2H"	84.067652
"1595389"	450.073128	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+K+HCOOH"	84.968628
"1423235"	480.104638	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+H+CF3COOH"	115.000138
"1150608"	245.099351	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+3ACN+2H"	125.094202
"1700889"	497.131185	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+NH4+CF3COOH"	132.026685
"1635449"	502.08658	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+Na+CF3COOH"	136.98208
"1571378"	518.06052	"C12979"	"Cefroxadine"	"C16H19N3O5S"	"365.1045"	"M+K+CF3COOH"	152.95602
"816918"	535.4025	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M"	0
"988122"	516.38411	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-H2O-H"	-19.01839
"78226"	355.927724	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M-3H"	-3.021828
"516294"	534.395224	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M-3H"	-3.021828
"893730"	177.460224	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-3H"	-3.021828
"14490"	534.395224	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M-2H"	-2.014552
"451866"	802.096474	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M-2H"	-2.014552
"825299"	266.693974	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-2H"	-2.014552
"88572"	1069.797724	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M-H"	-1.007276
"527038"	1605.200224	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M-H"	-1.007276
"901193"	534.395224	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-H"	-1.007276
"57028"	1086.824271	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M-2H+NH4"	16.019271
"496589"	1622.226771	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M-2H+NH4"	16.019271
"874391"	551.421771	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-2H+NH4"	16.019271
"42290"	1091.779666	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M-2H+Na"	20.974666
"479664"	1627.182166	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M-2H+Na"	20.974666
"853090"	556.377166	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-2H+Na"	20.974666
"1623715"	556.377166	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Na-2H"	20.974666
"104619"	552.383563	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M-H+Cl"	33.962126
"545273"	820.084813	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M-H+Cl"	33.962126
"938788"	284.682313	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-H+Cl"	33.962126
"278440"	1105.774402	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+Cl"	34.969402
"668677"	1641.176902	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+Cl"	34.969402
"1282170"	570.371902	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Cl"	34.969402
"26915"	1107.753606	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M-2H+K"	36.948606
"464292"	1643.156106	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M-2H+K"	36.948606
"844283"	572.351106	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-2H+K"	36.948606
"1561209"	572.351106	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+K-2H"	36.948606
"955654"	580.400694	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-H+HCOOH"	44.998194
"370589"	1115.803201	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+HCOOH-H"	44.998201
"356660"	1129.818851	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+Hac-H"	59.013851
"1502211"	594.416351	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Hac-H"	59.013851
"968663"	602.382651	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-H+NaCOOH"	66.980151
"118663"	570.371902	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+2Cl"	69.938804
"551904"	838.073152	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+2Cl"	69.938804
"1023741"	302.670652	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2Cl"	69.938804
"1243317"	614.321385	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Br"	78.918885
"1312329"	616.377372	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Cl+HCOOH"	80.974872
"1335566"	638.359329	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Cl+NaCOOH"	102.956829
"925627"	648.388086	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M-H+CF3COOH"	112.985586
"1304041"	684.364764	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Cl+CF3COOH"	148.962264
"1382573"	500.389824	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H-2H2O"	-35.012676
"1397640"	518.3998	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H-H2O"	-17.0027
"298323"	1071.812276	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+H"	1.007276
"690958"	1607.214776	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+H"	1.007276
"1366457"	536.409776	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H"	1.007276
"140804"	536.409776	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+2H"	2.014552
"580003"	804.111026	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+2H"	2.014552
"1051349"	268.708526	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2H"	2.014552
"219250"	357.942276	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+3H"	3.021828
"653713"	536.409776	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+3H"	3.021828
"1172930"	179.474776	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+3H"	3.021828
"436932"	1088.838823	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+NH4"	18.033823
"800111"	1624.241323	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+NH4"	18.033823
"1693524"	553.436323	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+NH4"	18.033823
"341806"	544.9230495	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+H+NH4"	19.041099
"735320"	812.6242995	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+H+NH4"	19.041099
"1482580"	277.2217995	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H+NH4"	19.041099
"399072"	1093.794218	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+Na"	22.989218
"760066"	1629.196718	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+Na"	22.989218
"1605979"	558.391718	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Na"	22.989218
"317109"	547.400747	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+H+Na"	23.996494
"710625"	815.101997	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+H+Na"	23.996494
"1468820"	279.699497	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H+Na"	23.996494
"1059878"	186.80209	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2H+Na"	25.00377
"1264835"	568.435986	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+CH3OH+H"	33.033486
"387784"	1109.768158	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+K"	38.963158
"749873"	1645.170658	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+K"	38.963158
"1548646"	574.365658	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+K"	38.963158
"305820"	555.387717	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+H+K"	39.970434
"704810"	823.088967	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+H+K"	39.970434
"1460906"	287.686467	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H+K"	39.970434
"250151"	1112.838826	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+ACN+H"	42.033826
"1223225"	577.436326	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+ACN+H"	42.033826
"1206378"	289.221801	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+ACN+2H"	43.041102
"196695"	1115.77616	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+2Na-H"	44.97116
"639537"	1651.17866	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+2Na-H"	44.97116
"1139764"	580.37366	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2Na-H"	44.97116
"185606"	558.391718	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+2Na"	45.978436
"618605"	826.092968	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+2Na"	45.978436
"1118470"	290.690468	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2Na"	45.978436
"1410743"	194.129404	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H+2Na"	46.985712
"1441765"	582.415246	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H+HCOOH"	47.012746
"235603"	563.42474	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+3H2O+2H"	56.04448
"1519525"	596.46729	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+IsoProp+H"	61.06479
"424207"	566.378688	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+Na+K"	61.952376
"784834"	834.079938	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+Na+K"	61.952376
"1681185"	298.677438	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Na+K"	61.952376
"266590"	1134.820768	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+ACN+Na"	64.015768
"1241174"	599.418268	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+ACN+Na"	64.015768
"1727212"	599.441793	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+NH4+HCOOH"	64.039293
"1192203"	201.456718	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+3Na"	68.967654
"1664283"	604.397188	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Na+HCOOH"	68.994688
"166768"	1147.72404	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+2K-H"	76.91904
"599402"	1683.12654	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+2K-H"	76.91904
"1086343"	612.32154	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2K-H"	76.91904
"146569"	574.365658	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"2M+2K"	77.926316
"585036"	842.066908	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"3M+2K"	77.926316
"1070639"	306.664408	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2K"	77.926316
"1101050"	614.336092	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2K+H"	78.933592
"1341325"	614.423707	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+DMSO+H"	79.021207
"1007667"	618.462876	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2ACN+H"	83.060376
"1526889"	619.456508	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+IsoProp+Na+H"	84.054008
"998809"	309.735076	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+2ACN+2H"	84.067652
"1595500"	620.371128	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+K+HCOOH"	84.968628
"1422251"	650.402638	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+H+CF3COOH"	115.000138
"1152540"	330.248351	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+3ACN+2H"	125.094202
"1699905"	667.429185	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+NH4+CF3COOH"	132.026685
"1635559"	672.38458	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+Na+CF3COOH"	136.98208
"1571936"	688.35852	"C12981"	"dl-alpha-Tocopherol nicotinate;Tocopheryl nicotinate"	"C35H53NO3"	"535.4025"	"M+K+CF3COOH"	152.95602
"812514"	203.0794	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M"	0
"986776"	184.06101	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-H2O-H"	-19.01839
"63107"	134.378990666667	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M-3H"	-3.021828
"504005"	202.072124	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M-3H"	-3.021828
"885087"	66.6858573333333	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-3H"	-3.021828
"9129"	202.072124	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M-2H"	-2.014552
"443222"	303.611824	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M-2H"	-2.014552
"825409"	100.532424	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-2H"	-2.014552
"84309"	405.151524	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M-H"	-1.007276
"524961"	608.230924	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M-H"	-1.007276
"903855"	202.072124	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-H"	-1.007276
"56045"	422.178071	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M-2H+NH4"	16.019271
"495606"	625.257471	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M-2H+NH4"	16.019271
"872315"	219.098671	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-2H+NH4"	16.019271
"36933"	427.133466	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M-2H+Na"	20.974666
"479774"	630.212866	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M-2H+Na"	20.974666
"851013"	224.054066	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-2H+Na"	20.974666
"1620546"	224.054066	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Na-2H"	20.974666
"98169"	220.060463	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M-H+Cl"	33.962126
"538823"	321.600163	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M-H+Cl"	33.962126
"935617"	118.520763	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-H+Cl"	33.962126
"273082"	441.128202	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+Cl"	34.969402
"666598"	644.207602	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+Cl"	34.969402
"1280094"	238.048802	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Cl"	34.969402
"21558"	443.107406	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M-2H+K"	36.948606
"463309"	646.186806	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M-2H+K"	36.948606
"840019"	240.028006	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-2H+K"	36.948606
"1557066"	240.028006	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+K-2H"	36.948606
"953577"	248.077594	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-H+HCOOH"	44.998194
"370699"	451.157001	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+HCOOH-H"	44.998201
"351303"	465.172651	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+Hac-H"	59.013851
"1499041"	262.093251	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Hac-H"	59.013851
"970597"	270.059551	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-H+NaCOOH"	66.980151
"117680"	238.048802	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+2Cl"	69.938804
"551772"	339.588502	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+2Cl"	69.938804
"1024944"	136.509102	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2Cl"	69.938804
"1241969"	281.998285	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Br"	78.918885
"1310253"	284.054272	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Cl+HCOOH"	80.974872
"1334680"	306.036229	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Cl+NaCOOH"	102.956829
"925737"	316.064986	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M-H+CF3COOH"	112.985586
"1302449"	352.041664	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Cl+CF3COOH"	148.962264
"1382437"	168.066724	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H-2H2O"	-35.012676
"1398068"	186.0767	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H-H2O"	-17.0027
"294149"	407.166076	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+H"	1.007276
"690581"	610.245476	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+H"	1.007276
"1366322"	204.086676	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H"	1.007276
"140427"	204.086676	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+2H"	2.014552
"580474"	305.626376	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+2H"	2.014552
"1049272"	102.546976	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2H"	2.014552
"217539"	136.393542666667	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+3H"	3.021828
"653820"	204.086676	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+3H"	3.021828
"1171946"	68.7004093333333	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+3H"	3.021828
"435218"	424.192623	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+NH4"	18.033823
"800342"	627.272023	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+NH4"	18.033823
"1694728"	221.113223	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+NH4"	18.033823
"340819"	212.5999495	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+H+NH4"	19.041099
"734336"	314.1396495	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+H+NH4"	19.041099
"1485971"	111.0602495	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H+NH4"	19.041099
"396995"	429.148018	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+Na"	22.989218
"760176"	632.227418	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+Na"	22.989218
"1604997"	226.068618	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Na"	22.989218
"317219"	215.077647	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+H+Na"	23.996494
"711828"	316.617347	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+H+Na"	23.996494
"1470024"	113.537947	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H+Na"	23.996494
"1059988"	76.0277233333333	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2H+Na"	25.00377
"1267133"	236.112886	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+CH3OH+H"	33.033486
"389717"	445.121958	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+K"	38.963158
"750713"	648.201358	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+K"	38.963158
"1550579"	242.042558	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+K"	38.963158
"305930"	223.064617	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+H+K"	39.970434
"702728"	324.604317	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+H+K"	39.970434
"1455456"	121.524917	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H+K"	39.970434
"249774"	448.192626	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+ACN+H"	42.033826
"1222970"	245.113226	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+ACN+H"	42.033826
"1206125"	123.060251	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+ACN+2H"	43.041102
"195713"	451.12996	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+2Na-H"	44.97116
"637462"	654.20936	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+2Na-H"	44.97116
"1134408"	248.05056	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2Na-H"	44.97116
"184260"	226.068618	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+2Na"	45.978436
"614341"	327.608318	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+2Na"	45.978436
"1120766"	124.528918	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2Na"	45.978436
"1409760"	83.3550373333333	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H+2Na"	46.985712
"1440782"	250.092146	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H+HCOOH"	47.012746
"234734"	231.10164	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+3H2O+2H"	56.04448
"1521822"	264.14419	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+IsoProp+H"	61.06479
"423337"	234.055588	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+Na+K"	61.952376
"784700"	335.595288	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+Na+K"	61.952376
"1681189"	132.515888	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Na+K"	61.952376
"266821"	470.174568	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+ACN+Na"	64.015768
"1241317"	267.095168	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+ACN+Na"	64.015768
"1728215"	267.118693	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+NH4+HCOOH"	64.039293
"1193408"	90.6823513333333	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+3Na"	68.967654
"1664029"	272.074088	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Na+HCOOH"	68.994688
"167975"	483.07784	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+2K-H"	76.91904
"598661"	686.15724	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+2K-H"	76.91904
"1086697"	279.99844	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2K-H"	76.91904
"142299"	242.042558	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"2M+2K"	77.926316
"585146"	343.582258	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"3M+2K"	77.926316
"1070749"	140.502858	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2K"	77.926316
"1100306"	282.012992	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2K+H"	78.933592
"1339249"	282.100607	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+DMSO+H"	79.021207
"1006925"	286.139776	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2ACN+H"	83.060376
"1525906"	287.133408	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+IsoProp+Na+H"	84.054008
"998919"	143.573526	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+2ACN+2H"	84.067652
"1597797"	288.048028	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+K+HCOOH"	84.968628
"1422361"	318.079538	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+H+CF3COOH"	115.000138
"1152654"	164.086801	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+3ACN+2H"	125.094202
"1700017"	335.106085	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+NH4+CF3COOH"	132.026685
"1635669"	340.06148	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+Na+CF3COOH"	136.98208
"1575694"	356.03542	"C12986"	"N2-Acetyl-L-aminoadipate"	"C8H13NO5"	"203.0794"	"M+K+CF3COOH"	152.95602
"814810"	283.0457	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M"	0
"985061"	264.02731	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-H2O-H"	-19.01839
"72210"	187.689857333333	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M-3H"	-3.021828
"509583"	282.038424	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M-3H"	-3.021828
"891758"	93.3412906666667	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-3H"	-3.021828
"11426"	282.038424	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M-2H"	-2.014552
"444790"	423.561274	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M-2H"	-2.014552
"824426"	140.515574	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-2H"	-2.014552
"87699"	565.084124	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M-H"	-1.007276
"525071"	848.129824	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M-H"	-1.007276
"903965"	282.038424	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-H"	-1.007276
"56155"	582.110671	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M-2H+NH4"	16.019271
"491706"	865.156371	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M-2H+NH4"	16.019271
"869143"	299.064971	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-2H+NH4"	16.019271
"32907"	587.066066	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M-2H+Na"	20.974666
"474051"	870.111766	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M-2H+Na"	20.974666
"851122"	304.020366	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-2H+Na"	20.974666
"1621749"	304.020366	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Na-2H"	20.974666
"97912"	300.026763	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M-H+Cl"	33.962126
"542213"	441.549613	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M-H+Cl"	33.962126
"930988"	158.503913	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-H+Cl"	33.962126
"274285"	601.060802	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+Cl"	34.969402
"665615"	884.106502	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+Cl"	34.969402
"1279111"	318.015102	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Cl"	34.969402
"20574"	603.040006	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M-2H+K"	36.948606
"464512"	886.085706	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M-2H+K"	36.948606
"841223"	319.994306	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-2H+K"	36.948606
"1564710"	319.994306	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+K-2H"	36.948606
"957334"	328.043894	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-H+HCOOH"	44.998194
"374091"	611.089601	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+HCOOH-H"	44.998201
"354693"	625.105251	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+Hac-H"	59.013851
"1504254"	342.059551	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Hac-H"	59.013851
"968885"	350.025851	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-H+NaCOOH"	66.980151
"117790"	318.015102	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+2Cl"	69.938804
"551882"	459.537952	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+2Cl"	69.938804
"1027241"	176.492252	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2Cl"	69.938804
"1244632"	361.964585	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Br"	78.918885
"1310363"	364.020572	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Cl+HCOOH"	80.974872
"1332968"	386.002529	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Cl+NaCOOH"	102.956829
"916733"	396.031286	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M-H+CF3COOH"	112.985586
"1300734"	432.007964	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Cl+CF3COOH"	148.962264
"1378169"	248.033024	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H-2H2O"	-35.012676
"1397852"	266.043	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H-H2O"	-17.0027
"294259"	567.098676	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+H"	1.007276
"690689"	850.144376	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+H"	1.007276
"1365215"	284.052976	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H"	1.007276
"139200"	284.052976	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+2H"	2.014552
"578762"	425.575826	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+2H"	2.014552
"1050841"	142.530126	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2H"	2.014552
"217284"	189.704409333333	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+3H"	3.021828
"653931"	284.052976	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+3H"	3.021828
"1170963"	95.3558426666667	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+3H"	3.021828
"434234"	584.125223	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+NH4"	18.033823
"798507"	867.170923	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+NH4"	18.033823
"1692651"	301.079523	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+NH4"	18.033823
"338742"	292.5662495	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+H+NH4"	19.041099
"733352"	434.0890995	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+H+NH4"	19.041099
"1484987"	151.0433995	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H+NH4"	19.041099
"398198"	589.080618	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+Na"	22.989218
"759193"	872.126318	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+Na"	22.989218
"1604379"	306.034918	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Na"	22.989218
"315264"	295.043947	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+H+Na"	23.996494
"713033"	436.566797	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+H+Na"	23.996494
"1470134"	153.521097	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H+Na"	23.996494
"1061192"	102.683156666667	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2H+Na"	25.00377
"1261775"	316.079186	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+CH3OH+H"	33.033486
"389827"	605.054558	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+K"	38.963158
"747906"	888.100258	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+K"	38.963158
"1551054"	322.008858	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+K"	38.963158
"304947"	303.030917	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+H+K"	39.970434
"702838"	444.553767	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+H+K"	39.970434
"1457025"	161.508067	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H+K"	39.970434
"249641"	608.125226	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+ACN+H"	42.033826
"1223445"	325.079526	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+ACN+H"	42.033826
"1208056"	163.043401	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+ACN+2H"	43.041102
"199105"	611.06256	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+2Na-H"	44.97116
"639759"	894.10826	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+2Na-H"	44.97116
"1137800"	328.01686	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2Na-H"	44.97116
"188259"	306.034918	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+2Na"	45.978436
"618463"	447.557768	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+2Na"	45.978436
"1124155"	164.512068	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2Na"	45.978436
"1408777"	110.010470666667	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H+2Na"	46.985712
"1443808"	330.058446	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H+HCOOH"	47.012746
"233509"	311.06794	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+3H2O+2H"	56.04448
"1521204"	344.11049	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+IsoProp+H"	61.06479
"422357"	314.021888	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+Na+K"	61.952376
"783355"	455.544738	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+Na+K"	61.952376
"1679320"	172.499038	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Na+K"	61.952376
"265837"	630.107168	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+ACN+Na"	64.015768
"1241161"	347.061468	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+ACN+Na"	64.015768
"1728211"	347.084993	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+NH4+HCOOH"	64.039293
"1191692"	117.337784666667	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+3Na"	68.967654
"1664866"	352.040388	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Na+HCOOH"	68.994688
"171732"	643.01044	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+2K-H"	76.91904
"603270"	926.05614	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+2K-H"	76.91904
"1088873"	359.96474	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2K-H"	76.91904
"146782"	322.008858	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"2M+2K"	77.926316
"584158"	463.531708	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"3M+2K"	77.926316
"1071952"	180.486008	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2K"	77.926316
"1102973"	361.979292	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2K+H"	78.933592
"1339359"	362.066907	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+DMSO+H"	79.021207
"1006424"	366.106076	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2ACN+H"	83.060376
"1526258"	367.099708	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+IsoProp+Na+H"	84.054008
"999029"	183.556676	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+2ACN+2H"	84.067652
"1597907"	368.014328	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+K+HCOOH"	84.968628
"1422471"	398.045838	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+H+CF3COOH"	115.000138
"1152764"	204.069951	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+3ACN+2H"	125.094202
"1700127"	415.072385	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+NH4+CF3COOH"	132.026685
"1636143"	420.02778	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+Na+CF3COOH"	136.98208
"1575804"	436.00172	"C12987"	"N2-Acetyl-L-aminoadipyl-delta-phosphate"	"C8H14NO8P"	"283.0457"	"M+K+CF3COOH"	152.95602
"812734"	187.0845	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M"	0
"986264"	168.06611	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-H2O-H"	-19.01839
"65760"	123.715724	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M-3H"	-3.021828
"504225"	186.077224	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M-3H"	-3.021828
"889681"	61.354224	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-3H"	-3.021828
"8255"	186.077224	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M-2H"	-2.014552
"442348"	279.619474	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M-2H"	-2.014552
"826723"	92.534974	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-2H"	-2.014552
"86716"	373.161724	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M-H"	-1.007276
"526275"	560.246224	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M-H"	-1.007276
"900795"	186.077224	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-H"	-1.007276
"55172"	390.188271	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M-2H+NH4"	16.019271
"489264"	577.272771	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M-2H+NH4"	16.019271
"868524"	203.103771	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-2H+NH4"	16.019271
"34965"	395.143666	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M-2H+Na"	20.974666
"474526"	582.228166	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M-2H+Na"	20.974666
"850260"	208.059166	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-2H+Na"	20.974666
"1620765"	208.059166	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Na-2H"	20.974666
"97657"	204.065563	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M-H+Cl"	33.962126
"542323"	297.607813	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M-H+Cl"	33.962126
"938024"	110.523313	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-H+Cl"	33.962126
"271116"	409.138402	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+Cl"	34.969402
"662445"	596.222902	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+Cl"	34.969402
"1276668"	222.053902	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Cl"	34.969402
"18856"	411.117606	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M-2H+K"	36.948606
"469970"	598.202106	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M-2H+K"	36.948606
"847167"	224.033106	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-2H+K"	36.948606
"1569195"	224.033106	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+K-2H"	36.948606
"956232"	232.082694	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-H+HCOOH"	44.998194
"374202"	419.167201	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+HCOOH-H"	44.998201
"356991"	433.182851	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+Hac-H"	59.013851
"1505824"	246.098351	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Hac-H"	59.013851
"963528"	254.064651	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-H+NaCOOH"	66.980151
"116806"	222.053902	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+2Cl"	69.938804
"551992"	315.596152	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+2Cl"	69.938804
"1028445"	128.511652	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2Cl"	69.938804
"1243649"	266.003385	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Br"	78.918885
"1312660"	268.059372	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Cl+HCOOH"	80.974872
"1325783"	290.041329	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Cl+NaCOOH"	102.956829
"919027"	300.070086	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M-H+CF3COOH"	112.985586
"1297928"	336.046764	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Cl+CF3COOH"	148.962264
"1376091"	152.071824	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H-2H2O"	-35.012676
"1395774"	170.0818	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H-H2O"	-17.0027
"292182"	375.176276	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+H"	1.007276
"685696"	562.260776	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+H"	1.007276
"1363136"	188.091776	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H"	1.007276
"137122"	188.091776	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+2H"	2.014552
"575229"	281.634026	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+2H"	2.014552
"1046576"	94.549526	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2H"	2.014552
"212292"	125.730276	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+3H"	3.021828
"652948"	188.091776	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+3H"	3.021828
"1169980"	63.368776	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+3H"	3.021828
"433250"	392.202823	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+NH4"	18.033823
"796430"	579.287323	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+NH4"	18.033823
"1693855"	205.118323	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+NH4"	18.033823
"341040"	196.6050495	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+H+NH4"	19.041099
"727992"	290.1472995	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+H+NH4"	19.041099
"1485095"	103.0627995	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H+NH4"	19.041099
"396121"	397.158218	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+Na"	22.989218
"757118"	584.242718	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+Na"	22.989218
"1603759"	210.073718	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Na"	22.989218
"314767"	199.082747	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+H+Na"	23.996494
"712049"	292.624997	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+H+Na"	23.996494
"1471338"	105.540497	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H+Na"	23.996494
"1056928"	70.69609	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2H+Na"	25.00377
"1261885"	220.117986	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+CH3OH+H"	33.033486
"382646"	413.132158	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+K"	38.963158
"750203"	600.216658	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+K"	38.963158
"1551163"	226.047658	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+K"	38.963158
"307244"	207.069717	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+H+K"	39.970434
"705135"	300.611967	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+H+K"	39.970434
"1453489"	113.527467	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H+K"	39.970434
"250116"	416.202826	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+ACN+H"	42.033826
"1222091"	229.118326	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+ACN+H"	42.033826
"1207069"	115.062801	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+ACN+2H"	43.041102
"197027"	419.14016	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+2Na-H"	44.97116
"638775"	606.22466	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+2Na-H"	44.97116
"1146836"	232.05566	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2Na-H"	44.97116
"187032"	210.073718	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+2Na"	45.978436
"622947"	303.615968	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+2Na"	45.978436
"1126452"	116.531468	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2Na"	45.978436
"1409979"	78.023404	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H+2Na"	46.985712
"1441731"	234.097246	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H+HCOOH"	47.012746
"231067"	215.10674	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+3H2O+2H"	56.04448
"1520222"	248.14929	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+IsoProp+H"	61.06479
"423560"	218.060688	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+Na+K"	61.952376
"784194"	311.602938	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+Na+K"	61.952376
"1680644"	124.518438	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Na+K"	61.952376
"266880"	438.184768	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+ACN+Na"	64.015768
"1240725"	251.100268	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+ACN+Na"	64.015768
"1727666"	251.123793	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+NH4+HCOOH"	64.039293
"1193506"	85.350718	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+3Na"	68.967654
"1664611"	256.079188	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Na+HCOOH"	68.994688
"171113"	451.08804	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+2K-H"	76.91904
"606295"	638.17254	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+2K-H"	76.91904
"1090079"	264.00354	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2K-H"	76.91904
"149079"	226.047658	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"2M+2K"	77.926316
"586454"	319.589908	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"3M+2K"	77.926316
"1070969"	132.505408	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2K"	77.926316
"1100774"	266.018092	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2K+H"	78.933592
"1336548"	266.105707	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+DMSO+H"	79.021207
"1005885"	270.144876	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2ACN+H"	83.060376
"1526247"	271.138508	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+IsoProp+Na+H"	84.054008
"998045"	135.576076	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+2ACN+2H"	84.067652
"1596923"	272.053128	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+K+HCOOH"	84.968628
"1421486"	302.084638	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+H+CF3COOH"	115.000138
"1152874"	156.089351	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+3ACN+2H"	125.094202
"1699144"	319.111185	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+NH4+CF3COOH"	132.026685
"1635889"	324.06658	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+Na+CF3COOH"	136.98208
"1573727"	340.04052	"C12988"	"N2-Acetyl-L-aminoadipate semialdehyde"	"C8H13NO4"	"187.0845"	"M+K+CF3COOH"	152.95602
"813937"	188.1161	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M"	0
"985281"	169.09771	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-H2O-H"	-19.01839
"65869"	124.403457333333	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M-3H"	-3.021828
"506522"	187.108824	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M-3H"	-3.021828
"890884"	61.6980906666667	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-3H"	-3.021828
"9458"	187.108824	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M-2H"	-2.014552
"443552"	281.166874	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M-2H"	-2.014552
"829023"	93.050774	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-2H"	-2.014552
"89013"	375.224924	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M-H"	-1.007276
"526385"	563.341024	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M-H"	-1.007276
"904185"	187.108824	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-H"	-1.007276
"58562"	392.251471	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M-2H+NH4"	16.019271
"491925"	580.367571	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M-2H+NH4"	16.019271
"870457"	204.135371	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-2H+NH4"	16.019271
"33735"	397.206866	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M-2H+Na"	20.974666
"475729"	585.322966	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M-2H+Na"	20.974666
"850978"	209.090766	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-2H+Na"	20.974666
"1621239"	209.090766	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Na-2H"	20.974666
"97036"	205.097163	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M-H+Cl"	33.962126
"545713"	299.155213	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M-H+Cl"	33.962126
"941050"	111.039113	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-H+Cl"	33.962126
"274506"	411.201602	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+Cl"	34.969402
"665835"	599.317702	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+Cl"	34.969402
"1278236"	223.085502	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Cl"	34.969402
"20064"	413.180806	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M-2H+K"	36.948606
"469107"	601.296906	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M-2H+K"	36.948606
"841441"	225.064706	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-2H+K"	36.948606
"1569670"	225.064706	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+K-2H"	36.948606
"957555"	233.114294	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-H+HCOOH"	44.998194
"373217"	421.230401	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+HCOOH-H"	44.998201
"357830"	435.246051	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+Hac-H"	59.013851
"1504839"	247.129951	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Hac-H"	59.013851
"969104"	255.096251	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-H+NaCOOH"	66.980151
"115823"	223.085502	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+2Cl"	69.938804
"553559"	317.143552	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+2Cl"	69.938804
"1024179"	129.027452	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2Cl"	69.938804
"1245943"	267.034985	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Br"	78.918885
"1309486"	269.090972	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Cl+HCOOH"	80.974872
"1325889"	291.072929	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Cl+NaCOOH"	102.956829
"914760"	301.101686	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M-H+CF3COOH"	112.985586
"1292571"	337.078364	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Cl+CF3COOH"	148.962264
"1372921"	153.103424	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H-2H2O"	-35.012676
"1395156"	171.1134	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H-H2O"	-17.0027
"292292"	377.239476	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+H"	1.007276
"685805"	565.355576	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+H"	1.007276
"1354499"	189.123376	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H"	1.007276
"138325"	189.123376	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+2H"	2.014552
"575703"	283.181426	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+2H"	2.014552
"1045593"	95.065326	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2H"	2.014552
"213495"	126.418009333333	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+3H"	3.021828
"651964"	189.123376	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+3H"	3.021828
"1171182"	63.7126426666667	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+3H"	3.021828
"433360"	394.266023	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+NH4"	18.033823
"795811"	582.382123	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+NH4"	18.033823
"1692507"	206.149923	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+NH4"	18.033823
"342972"	197.6366495	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+H+NH4"	19.041099
"732112"	291.6946995	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+H+NH4"	19.041099
"1485204"	103.5785995	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H+NH4"	19.041099
"395500"	399.221418	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+Na"	22.989218
"756498"	587.337518	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+Na"	22.989218
"1608609"	211.105318	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Na"	22.989218
"315120"	200.114347	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+H+Na"	23.996494
"708879"	294.172397	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+H+Na"	23.996494
"1469261"	106.056297	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H+Na"	23.996494
"1058131"	71.0399566666667	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2H+Na"	25.00377
"1261995"	221.149586	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+CH3OH+H"	33.033486
"381663"	415.195358	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+K"	38.963158
"743751"	603.311458	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+K"	38.963158
"1541791"	227.079258	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+K"	38.963158
"302980"	208.101317	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+H+K"	39.970434
"704881"	302.159367	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+H+K"	39.970434
"1454690"	114.043267	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H+K"	39.970434
"250103"	418.266026	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+ACN+H"	42.033826
"1222201"	230.149926	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+ACN+H"	42.033826
"1207179"	115.578601	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+ACN+2H"	43.041102
"199324"	421.20336	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+2Na-H"	44.97116
"637791"	609.31946	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+2Na-H"	44.97116
"1145917"	233.08726	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2Na-H"	44.97116
"188195"	211.105318	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+2Na"	45.978436
"624150"	305.163368	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+2Na"	45.978436
"1127655"	117.047268	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2Na"	45.978436
"1410089"	78.3672706666667	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H+2Na"	46.985712
"1444029"	235.128846	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H+HCOOH"	47.012746
"230810"	216.13834	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+3H2O+2H"	56.04448
"1519965"	249.18089	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+IsoProp+H"	61.06479
"419660"	219.092288	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+Na+K"	61.952376
"782842"	313.150338	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+Na+K"	61.952376
"1680267"	125.034238	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Na+K"	61.952376
"266058"	440.247968	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+ACN+Na"	64.015768
"1240831"	252.131868	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+ACN+Na"	64.015768
"1728223"	252.155393	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+NH4+HCOOH"	64.039293
"1191549"	85.6945846666667	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+3Na"	68.967654
"1661805"	257.110788	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Na+HCOOH"	68.994688
"172075"	453.15124	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+2K-H"	76.91904
"604583"	641.26734	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+2K-H"	76.91904
"1091282"	265.03514	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2K-H"	76.91904
"150283"	227.079258	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"2M+2K"	77.926316
"588751"	321.137308	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"3M+2K"	77.926316
"1069250"	133.021208	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2K"	77.926316
"1101365"	267.049692	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2K+H"	78.933592
"1337146"	267.137307	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+DMSO+H"	79.021207
"1006645"	271.176476	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2ACN+H"	83.060376
"1527329"	272.170108	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+IsoProp+Na+H"	84.054008
"997062"	136.091876	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+2ACN+2H"	84.067652
"1595940"	273.084728	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+K+HCOOH"	84.968628
"1419410"	303.116238	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+H+CF3COOH"	115.000138
"1154077"	156.605151	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+3ACN+2H"	125.094202
"1699254"	320.142785	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+NH4+CF3COOH"	132.026685
"1635999"	325.09818	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+Na+CF3COOH"	136.98208
"1573837"	341.07212	"C12989"	"N2-Acetyl-L-lysine;N(alpha)-Acetyllysine"	"C8H16N2O3"	"188.1161"	"M+K+CF3COOH"	152.95602
"810768"	174.0793	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M"	0
"983204"	155.06091	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-H2O-H"	-19.01839
"64886"	115.045590666667	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M-3H"	-3.021828
"509914"	173.072024	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M-3H"	-3.021828
"890994"	57.0191573333333	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-3H"	-3.021828
"11755"	173.072024	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M-2H"	-2.014552
"440745"	260.111674	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M-2H"	-2.014552
"831318"	86.032374	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-2H"	-2.014552
"90216"	347.151324	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M-H"	-1.007276
"527588"	521.230624	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M-H"	-1.007276
"904295"	173.072024	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-H"	-1.007276
"59765"	364.177871	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M-2H+NH4"	16.019271
"494953"	538.257171	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M-2H+NH4"	16.019271
"871660"	190.098571	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-2H+NH4"	16.019271
"34092"	369.133266	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M-2H+Na"	20.974666
"474746"	543.212566	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M-2H+Na"	20.974666
"849995"	195.053966	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-2H+Na"	20.974666
"1619891"	195.053966	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Na-2H"	20.974666
"97514"	191.060363	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M-H+Cl"	33.962126
"542543"	278.100013	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M-H+Cl"	33.962126
"941160"	104.020713	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-H+Cl"	33.962126
"276803"	383.128002	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+Cl"	34.969402
"668132"	557.207302	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+Cl"	34.969402
"1281627"	209.048702	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Cl"	34.969402
"20904"	385.107206	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M-2H+K"	36.948606
"467031"	559.186506	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M-2H+K"	36.948606
"843738"	211.027906	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-2H+K"	36.948606
"1568321"	211.027906	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+K-2H"	36.948606
"955113"	219.077494	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-H+HCOOH"	44.998194
"375151"	393.156801	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+HCOOH-H"	44.998201
"356118"	407.172451	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+Hac-H"	59.013851
"1504949"	233.093151	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Hac-H"	59.013851
"968121"	241.059451	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-H+NaCOOH"	66.980151
"115933"	209.048702	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+2Cl"	69.938804
"553305"	296.088352	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+2Cl"	69.938804
"1024289"	122.009052	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2Cl"	69.938804
"1246053"	252.998185	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Br"	78.918885
"1309596"	255.054172	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Cl+HCOOH"	80.974872
"1328186"	277.036129	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Cl+NaCOOH"	102.956829
"914870"	287.064886	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M-H+CF3COOH"	112.985586
"1290129"	323.041564	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Cl+CF3COOH"	148.962264
"1369021"	139.066624	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H-2H2O"	-35.012676
"1393806"	157.0766	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H-H2O"	-17.0027
"288027"	349.165876	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+H"	1.007276
"682634"	523.245176	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+H"	1.007276
"1352786"	175.086576	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H"	1.007276
"138071"	175.086576	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+2H"	2.014552
"572533"	262.126226	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+2H"	2.014552
"1042786"	88.046926	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2H"	2.014552
"214334"	117.060142666667	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+3H"	3.021828
"647696"	175.086576	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+3H"	3.021828
"1165825"	59.0337093333333	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+3H"	3.021828
"432377"	366.192423	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+NH4"	18.033823
"794463"	540.271723	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+NH4"	18.033823
"1691887"	192.113123	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+NH4"	18.033823
"337979"	183.5998495	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+H+NH4"	19.041099
"730400"	270.6394995	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+H+NH4"	19.041099
"1480939"	96.5601995	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H+NH4"	19.041099
"395244"	371.147818	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+Na"	22.989218
"755509"	545.227118	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+Na"	22.989218
"1606532"	197.068518	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Na"	22.989218
"314988"	186.077547	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+H+Na"	23.996494
"707174"	273.117197	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+H+Na"	23.996494
"1466091"	99.037897	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H+Na"	23.996494
"1058242"	66.3610233333333	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2H+Na"	25.00377
"1265386"	207.112786	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+CH3OH+H"	33.033486
"388334"	387.121758	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+K"	38.963158
"747142"	561.201058	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+K"	38.963158
"1542633"	213.042458	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+K"	38.963158
"301996"	194.064517	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+H+K"	39.970434
"699888"	281.104167	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+H+K"	39.970434
"1453707"	107.024867	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H+K"	39.970434
"250335"	390.192426	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+ACN+H"	42.033826
"1222675"	216.113126	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+ACN+H"	42.033826
"1206925"	108.560201	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+ACN+2H"	43.041102
"199434"	393.12976	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+2Na-H"	44.97116
"637901"	567.20906	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+2Na-H"	44.97116
"1146275"	219.05046	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2Na-H"	44.97116
"187862"	197.068518	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+2Na"	45.978436
"620979"	284.108168	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+2Na"	45.978436
"1127765"	110.028868	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2Na"	45.978436
"1408011"	73.6883373333333	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H+2Na"	46.985712
"1445154"	221.092046	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H+HCOOH"	47.012746
"235647"	202.10154	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+3H2O+2H"	56.04448
"1522262"	235.14409	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+IsoProp+H"	61.06479
"421586"	205.055488	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+Na+K"	61.952376
"784405"	292.095138	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+Na+K"	61.952376
"1680009"	118.015838	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Na+K"	61.952376
"265563"	412.174368	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+ACN+Na"	64.015768
"1240696"	238.095068	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+ACN+Na"	64.015768
"1725583"	238.118593	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+NH4+HCOOH"	64.039293
"1192750"	81.0156513333333	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+3Na"	68.967654
"1661184"	243.073988	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Na+HCOOH"	68.994688
"169502"	425.07764	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+2K-H"	76.91904
"606881"	599.15694	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+2K-H"	76.91904
"1089206"	250.99834	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2K-H"	76.91904
"150393"	213.042458	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"2M+2K"	77.926316
"587767"	300.082108	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"3M+2K"	77.926316
"1068751"	126.002808	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2K"	77.926316
"1100624"	253.012892	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2K+H"	78.933592
"1336524"	253.100507	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+DMSO+H"	79.021207
"1006269"	257.139676	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2ACN+H"	83.060376
"1526346"	258.133308	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+IsoProp+Na+H"	84.054008
"997173"	129.073476	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+2ACN+2H"	84.067652
"1596051"	259.047928	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+K+HCOOH"	84.968628
"1416241"	289.079438	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+H+CF3COOH"	115.000138
"1154187"	149.586751	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+3ACN+2H"	125.094202
"1698271"	306.105985	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+NH4+CF3COOH"	132.026685
"1636109"	311.06138	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+Na+CF3COOH"	136.98208
"1573947"	327.03532	"C13008"	"Edaravone"	"C10H10N2O"	"174.0793"	"M+K+CF3COOH"	152.95602
"814157"	186.0681	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M"	0
"984408"	167.04971	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"66090"	123.038124	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"513304"	185.060824	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"891105"	61.015424	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"7492"	185.060824	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"441585"	278.094874	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"830335"	92.026774	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"88139"	371.128924	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"528791"	557.197024	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"904405"	185.060824	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"58782"	388.155471	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"490689"	574.223571	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"870678"	202.087371	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"38577"	393.110866	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"477043"	579.178966	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"850833"	207.042766	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1621459"	207.042766	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"97988"	203.049163	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"542653"	296.083213	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"940177"	110.015113	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"280194"	407.105602	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"668242"	593.173702	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1280644"	221.037502	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"24294"	409.084806	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"469327"	595.152906	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"843848"	223.016706	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1568431"	223.016706	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"955222"	231.066294	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"374532"	417.134401	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"356228"	431.150051	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1500686"	245.081951	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"972238"	253.048251	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"121506"	221.037502	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"557783"	314.071552	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1024399"	128.003452	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1243976"	264.986985	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1306426"	267.042972	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1322829"	289.024929	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"914980"	299.053686	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1292790"	335.030364	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1369130"	151.055424	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1387356"	169.0654	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"291414"	373.143476	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"677639"	559.211576	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1352896"	187.075376	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"136359"	187.075376	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"573731"	280.109426	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1042532"	94.041326	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"210434"	125.052676	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"647807"	187.075376	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1164839"	63.029976	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"432486"	390.170023	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"794573"	576.238123	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1690904"	204.101923	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"336995"	195.5886495	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"729417"	288.6226995	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1482142"	102.5545995	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"394988"	395.125418	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"754891"	581.193518	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1606636"	209.057318	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"315219"	198.066347	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"707104"	291.100397	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1465108"	105.032297	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1056166"	70.35729	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1263312"	219.101586	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"388446"	411.099358	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"747253"	597.167458	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1546024"	225.031258	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"302107"	206.053317	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"698905"	299.087367	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1453817"	113.019267	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"249350"	414.170026	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1222785"	228.101926	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1206306"	114.554601	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"198451"	417.10736	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"638011"	603.17546	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1145900"	231.03926	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"187490"	209.057318	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"622182"	302.091368	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1127875"	116.023268	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1408121"	77.684604	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1444859"	233.080846	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"235404"	214.09034	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1522009"	247.13289	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"421333"	217.044288	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"783911"	310.078338	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1679756"	124.010238	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"263724"	436.151968	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1239713"	250.083868	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1727025"	250.107393	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1191767"	85.011918	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1663847"	255.062788	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"168520"	449.05524	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"603710"	635.12334	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1087857"	262.98714	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"148316"	225.031258	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"586784"	318.065308	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1068621"	131.997208	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1100249"	265.001692	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1336025"	265.089307	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1006380"	269.128476	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1524266"	270.122108	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"996190"	135.067876	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1596161"	271.036728	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1416351"	301.068238	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1153204"	155.581151	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1700568"	318.094785	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1636219"	323.05018	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1575150"	339.02412	"C13014"	"1-Naphthylacetic acid;NAA"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"813174"	509.9852	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M"	0
"983425"	490.96681	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-H2O-H"	-19.01839
"66201"	338.982857333333	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M-3H"	-3.021828
"510134"	508.977924	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M-3H"	-3.021828
"891215"	168.987790666667	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-3H"	-3.021828
"2138"	508.977924	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M-2H"	-2.014552
"443155"	763.970524	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M-2H"	-2.014552
"827166"	253.985324	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-2H"	-2.014552
"88250"	1018.963124	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M-H"	-1.007276
"526715"	1528.948324	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M-H"	-1.007276
"903423"	508.977924	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-H"	-1.007276
"57799"	1035.989671	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M-2H+NH4"	16.019271
"490799"	1545.974871	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M-2H+NH4"	16.019271
"868236"	526.004471	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-2H+NH4"	16.019271
"37594"	1040.945066	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M-2H+Na"	20.974666
"477154"	1550.930266	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M-2H+Na"	20.974666
"850214"	530.959866	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-2H+Na"	20.974666
"1620840"	530.959866	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Na-2H"	20.974666
"99190"	526.966263	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M-H+Cl"	33.962126
"542763"	781.958863	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M-H+Cl"	33.962126
"938465"	271.973663	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-H+Cl"	33.962126
"275930"	1054.939802	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+Cl"	34.969402
"667259"	1564.925002	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+Cl"	34.969402
"1278567"	544.954602	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Cl"	34.969402
"21124"	1056.919006	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M-2H+K"	36.948606
"469073"	1566.904206	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M-2H+K"	36.948606
"843958"	546.933806	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-2H+K"	36.948606
"1570728"	546.933806	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+K-2H"	36.948606
"956425"	554.983394	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-H+HCOOH"	44.998194
"374642"	1064.968601	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+HCOOH-H"	44.998201
"356338"	1078.984251	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+Hac-H"	59.013851
"1501889"	568.999051	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Hac-H"	59.013851
"972345"	576.965351	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-H+NaCOOH"	66.980151
"121616"	544.954602	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+2Cl"	69.938804
"555706"	799.947202	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+2Cl"	69.938804
"1023415"	289.962002	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2Cl"	69.938804
"1243721"	588.904085	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Br"	78.918885
"1305807"	590.960072	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Cl+HCOOH"	80.974872
"1322574"	612.942029	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Cl+NaCOOH"	102.956829
"913997"	622.970786	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M-H+CF3COOH"	112.985586
"1296179"	658.947464	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Cl+CF3COOH"	148.962264
"1376530"	474.972524	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H-2H2O"	-35.012676
"1390745"	492.9825	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H-H2O"	-17.0027
"291524"	1020.977676	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+H"	1.007276
"678113"	1530.962876	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+H"	1.007276
"1353736"	510.992476	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H"	1.007276
"135375"	510.992476	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+2H"	2.014552
"572748"	765.985076	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+2H"	2.014552
"1043737"	255.999876	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2H"	2.014552
"211639"	340.997409333333	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+3H"	3.021828
"647553"	510.992476	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+3H"	3.021828
"1165313"	171.002342666667	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+3H"	3.021828
"428583"	1038.004223	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+NH4"	18.033823
"795778"	1547.989423	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+NH4"	18.033823
"1691014"	528.019023	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+NH4"	18.033823
"338200"	519.5057495	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+H+NH4"	19.041099
"730620"	774.4983495	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+H+NH4"	19.041099
"1483347"	264.5131495	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H+NH4"	19.041099
"394372"	1042.959618	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+Na"	22.989218
"756464"	1552.944818	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+Na"	22.989218
"1603467"	532.974418	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Na"	22.989218
"321157"	521.983447	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+H+Na"	23.996494
"708238"	776.976047	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+H+Na"	23.996494
"1465218"	266.990847	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H+Na"	23.996494
"1058461"	178.329656666667	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2H+Na"	25.00377
"1263420"	543.018686	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+CH3OH+H"	33.033486
"388556"	1058.933558	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+K"	38.963158
"747363"	1568.918758	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+K"	38.963158
"1546134"	548.948358	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+K"	38.963158
"304404"	529.970417	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+H+K"	39.970434
"700108"	784.963017	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+H+K"	39.970434
"1453927"	274.977817	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H+K"	39.970434
"247638"	1062.004226	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+ACN+H"	42.033826
"1221802"	552.019026	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+ACN+H"	42.033826
"1203500"	276.513151	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+ACN+2H"	43.041102
"196375"	1064.94156	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+2Na-H"	44.97116
"642496"	1574.92676	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+2Na-H"	44.97116
"1144914"	554.95636	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2Na-H"	44.97116
"188208"	532.974418	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+2Na"	45.978436
"626670"	787.967018	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+2Na"	45.978436
"1125798"	277.981818	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2Na"	45.978436
"1403855"	185.656970666667	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H+2Na"	46.985712
"1442534"	556.997946	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H+HCOOH"	47.012746
"233687"	538.00744	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+3H2O+2H"	56.04448
"1522237"	571.04999	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+IsoProp+H"	61.06479
"422534"	540.961388	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+Na+K"	61.952376
"783898"	795.953988	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+Na+K"	61.952376
"1679740"	285.968788	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Na+K"	61.952376
"264561"	1083.986168	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+ACN+Na"	64.015768
"1239823"	574.000968	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+ACN+Na"	64.015768
"1727620"	574.024493	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+NH4+HCOOH"	64.039293
"1191878"	192.984284666667	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+3Na"	68.967654
"1661404"	578.979888	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Na+HCOOH"	68.994688
"167173"	1096.88944	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+2K-H"	76.91904
"602728"	1606.87464	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+2K-H"	76.91904
"1087237"	586.90424	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2K-H"	76.91904
"148426"	548.948358	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"2M+2K"	77.926316
"581912"	803.940958	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"3M+2K"	77.926316
"1068570"	293.955758	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2K"	77.926316
"1100968"	588.918792	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2K+H"	78.933592
"1336987"	589.006407	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+DMSO+H"	79.021207
"1007341"	593.045576	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2ACN+H"	83.060376
"1525103"	594.039208	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+IsoProp+Na+H"	84.054008
"996301"	297.026426	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+2ACN+2H"	84.067652
"1596271"	594.953828	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+K+HCOOH"	84.968628
"1419743"	624.985338	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+H+CF3COOH"	115.000138
"1154407"	317.539701	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+3ACN+2H"	125.094202
"1701771"	642.011885	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+NH4+CF3COOH"	132.026685
"1641797"	646.96728	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+Na+CF3COOH"	136.98208
"1575260"	662.94122	"C13016"	"Carumonam sodium"	"C12H12N6O10S22Na"	"509.9852"	"M+K+CF3COOH"	152.95602
"813283"	692.0971	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M"	0
"980253"	673.07871	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-H2O-H"	-19.01839
"66310"	460.390790666667	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M-3H"	-3.021828
"512430"	691.089824	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M-3H"	-3.021828
"891327"	229.691757333333	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-3H"	-3.021828
"5528"	691.089824	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M-2H"	-2.014552
"440590"	1037.138374	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M-2H"	-2.014552
"830556"	345.041274	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-2H"	-2.014552
"89452"	1383.186924	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M-H"	-1.007276
"527917"	2075.284024	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M-H"	-1.007276
"903533"	691.089824	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-H"	-1.007276
"59003"	1400.213471	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M-2H+NH4"	16.019271
"497470"	2092.310571	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M-2H+NH4"	16.019271
"873084"	708.116371	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-2H+NH4"	16.019271
"38797"	1405.168866	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M-2H+Na"	20.974666
"479452"	2097.265966	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M-2H+Na"	20.974666
"851053"	713.071766	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-2H+Na"	20.974666
"1622408"	713.071766	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Na-2H"	20.974666
"98936"	709.078163	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M-H+Cl"	33.962126
"539593"	1055.126713	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M-H+Cl"	33.962126
"938574"	363.029613	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-H+Cl"	33.962126
"276040"	1419.163602	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+Cl"	34.969402
"670650"	2111.260702	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+Cl"	34.969402
"1283051"	727.066502	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Cl"	34.969402
"28888"	1421.142806	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M-2H+K"	36.948606
"469913"	2113.239906	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M-2H+K"	36.948606
"846255"	729.045706	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-2H+K"	36.948606
"1568653"	729.045706	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+K-2H"	36.948606
"956537"	737.095294	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-H+HCOOH"	44.998194
"375118"	1429.192401	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+HCOOH-H"	44.998201
"357908"	1443.208051	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+Hac-H"	59.013851
"1502001"	751.110951	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Hac-H"	59.013851
"971364"	759.077251	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-H+NaCOOH"	66.980151
"124643"	727.066502	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+2Cl"	69.938804
"556911"	1073.115052	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+2Cl"	69.938804
"1028995"	381.017952	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2Cl"	69.938804
"1245289"	771.015985	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Br"	78.918885
"1305917"	773.071972	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Cl+HCOOH"	80.974872
"1323049"	795.053929	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Cl+NaCOOH"	102.956829
"916295"	805.082686	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M-H+CF3COOH"	112.985586
"1298476"	841.059364	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Cl+CF3COOH"	148.962264
"1375547"	657.084424	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H-2H2O"	-35.012676
"1385387"	675.0944	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H-H2O"	-17.0027
"287259"	1385.201476	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+H"	1.007276
"678589"	2077.298576	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+H"	1.007276
"1353843"	693.104376	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H"	1.007276
"134392"	693.104376	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+2H"	2.014552
"571765"	1039.152926	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+2H"	2.014552
"1046034"	347.055826	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2H"	2.014552
"213935"	462.405342666667	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+3H"	3.021828
"646569"	693.104376	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+3H"	3.021828
"1166516"	231.706309333333	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+3H"	3.021828
"427966"	1402.228023	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+NH4"	18.033823
"796982"	2094.325123	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+NH4"	18.033823
"1690030"	710.130923	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+NH4"	18.033823
"340497"	701.6176495	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+H+NH4"	19.041099
"731822"	1047.6661995	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+H+NH4"	19.041099
"1481273"	355.5690995	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H+NH4"	19.041099
"395578"	1407.183418	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+Na"	22.989218
"755722"	2099.280518	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+Na"	22.989218
"1604671"	715.086318	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Na"	22.989218
"320174"	704.095347	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+H+Na"	23.996494
"708712"	1050.143897	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+H+Na"	23.996494
"1465328"	358.046797	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H+Na"	23.996494
"1059665"	239.033623333333	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2H+Na"	25.00377
"1264624"	725.130586	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+CH3OH+H"	33.033486
"388302"	1423.157358	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+K"	38.963158
"747473"	2115.254458	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+K"	38.963158
"1546244"	731.060258	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+K"	38.963158
"303421"	712.082317	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+H+K"	39.970434
"701311"	1058.130867	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+H+K"	39.970434
"1457318"	366.033767	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H+K"	39.970434
"247748"	1426.228026	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+ACN+H"	42.033826
"1223252"	734.130926	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+ACN+H"	42.033826
"1203611"	367.569101	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+ACN+2H"	43.041102
"199766"	1429.16536	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+2Na-H"	44.97116
"642972"	2121.26246	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+2Na-H"	44.97116
"1146206"	737.06826	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2Na-H"	44.97116
"188073"	715.086318	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+2Na"	45.978436
"625318"	1061.134868	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+2Na"	45.978436
"1125908"	369.037768	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2Na"	45.978436
"1407246"	246.360937333333	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H+2Na"	46.985712
"1442644"	739.109846	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H+HCOOH"	47.012746
"232582"	720.11934	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+3H2O+2H"	56.04448
"1522468"	753.16189	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+IsoProp+H"	61.06479
"422280"	723.073288	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+Na+K"	61.952376
"784374"	1069.121838	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+Na+K"	61.952376
"1678879"	377.024738	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Na+K"	61.952376
"265400"	1448.209968	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+ACN+Na"	64.015768
"1237744"	756.112868	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+ACN+Na"	64.015768
"1726268"	756.136393	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+NH4+HCOOH"	64.039293
"1192352"	253.688251333333	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+3Na"	68.967654
"1661151"	761.091788	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Na+HCOOH"	68.994688
"163273"	1461.11324	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+2K-H"	76.91904
"608306"	2153.21034	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+2K-H"	76.91904
"1087346"	769.01614	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2K-H"	76.91904
"148537"	731.060258	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"2M+2K"	77.926316
"583724"	1077.108808	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"3M+2K"	77.926316
"1068756"	385.011708	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2K"	77.926316
"1100105"	771.030692	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2K+H"	78.933592
"1337830"	771.118307	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+DMSO+H"	79.021207
"1007085"	775.157476	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2ACN+H"	83.060376
"1524967"	776.151108	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+IsoProp+Na+H"	84.054008
"998598"	388.082376	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+2ACN+2H"	84.067652
"1596381"	777.065728	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+K+HCOOH"	84.968628
"1417667"	807.097238	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+H+CF3COOH"	115.000138
"1154517"	408.595651	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+3ACN+2H"	125.094202
"1701881"	824.123785	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+NH4+CF3COOH"	132.026685
"1639720"	829.07918	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+Na+CF3COOH"	136.98208
"1575370"	845.05312	"C13024"	"Cefpimizole sodium"	"C28H25N6O10S2Na"	"692.0971"	"M+K+CF3COOH"	152.95602
"814486"	563.0983	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M"	0
"983643"	544.07991	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-H2O-H"	-19.01839
"66421"	374.391590666667	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M-3H"	-3.021828
"512540"	562.091024	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M-3H"	-3.021828
"891434"	186.692157333333	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-3H"	-3.021828
"3451"	562.091024	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M-2H"	-2.014552
"441550"	843.640174	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M-2H"	-2.014552
"830303"	280.541874	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-2H"	-2.014552
"89563"	1125.189324	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M-H"	-1.007276
"529120"	1688.287624	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M-H"	-1.007276
"906922"	562.091024	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-H"	-1.007276
"56926"	1142.215871	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M-2H+NH4"	16.019271
"495393"	1705.314171	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M-2H+NH4"	16.019271
"872101"	579.117571	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-2H+NH4"	16.019271
"41095"	1147.171266	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M-2H+Na"	20.974666
"481747"	1710.269566	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M-2H+Na"	20.974666
"853713"	584.072966	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-2H+Na"	20.974666
"1625798"	584.072966	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Na-2H"	20.974666
"105607"	580.079363	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M-H+Cl"	33.962126
"542983"	861.628513	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M-H+Cl"	33.962126
"936496"	298.530213	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-H+Cl"	33.962126
"279430"	1161.166002	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+Cl"	34.969402
"670759"	1724.264302	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+Cl"	34.969402
"1284254"	598.067702	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Cl"	34.969402
"25718"	1163.145206	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M-2H+K"	36.948606
"467471"	1726.243506	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M-2H+K"	36.948606
"846365"	600.046906	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-2H+K"	36.948606
"1566575"	600.046906	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+K-2H"	36.948606
"956646"	608.096494	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-H+HCOOH"	44.998194
"375225"	1171.194801	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+HCOOH-H"	44.998201
"356561"	1185.210451	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+Hac-H"	59.013851
"1506120"	622.112151	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Hac-H"	59.013851
"970381"	630.078451	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-H+NaCOOH"	66.980151
"124024"	598.067702	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+2Cl"	69.938804
"558114"	879.616852	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+2Cl"	69.938804
"1030198"	316.518552	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2Cl"	69.938804
"1245400"	642.017185	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Br"	78.918885
"1306757"	644.073172	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Cl+HCOOH"	80.974872
"1324251"	666.055129	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Cl+NaCOOH"	102.956829
"913490"	676.083886	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M-H+CF3COOH"	112.985586
"1298588"	712.060564	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Cl+CF3COOH"	148.962264
"1374564"	528.085624	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H-2H2O"	-35.012676
"1388778"	546.0956	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H-H2O"	-17.0027
"289557"	1127.203876	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+H"	1.007276
"679791"	1690.302176	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+H"	1.007276
"1353588"	564.105576	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H"	1.007276
"136689"	564.105576	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+2H"	2.014552
"571875"	845.654726	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+2H"	2.014552
"1048331"	282.556426	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2H"	2.014552
"212952"	376.406142666667	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+3H"	3.021828
"647772"	564.105576	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+3H"	3.021828
"1165901"	188.706709333333	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+3H"	3.021828
"428444"	1144.230423	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+NH4"	18.033823
"795999"	1707.328723	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+NH4"	18.033823
"1692328"	581.132123	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+NH4"	18.033823
"342795"	572.6188495	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+H+NH4"	19.041099
"729747"	854.1679995	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+H+NH4"	19.041099
"1483568"	291.0696995	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H+NH4"	19.041099
"397875"	1149.185818	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+Na"	22.989218
"757048"	1712.284118	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+Na"	22.989218
"1605146"	586.087518	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Na"	22.989218
"319192"	575.096547	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+H+Na"	23.996494
"708336"	856.645697	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+H+Na"	23.996494
"1464344"	293.547397	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H+Na"	23.996494
"1057589"	196.034023333333	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2H+Na"	25.00377
"1261454"	596.131786	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+CH3OH+H"	33.033486
"383309"	1165.159758	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+K"	38.963158
"747582"	1728.258058	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+K"	38.963158
"1546354"	602.061458	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+K"	38.963158
"300615"	583.083517	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+H+K"	39.970434
"700328"	864.632667	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+H+K"	39.970434
"1454148"	301.534367	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H+K"	39.970434
"243848"	1168.230426	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+ACN+H"	42.033826
"1224213"	605.132126	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+ACN+H"	42.033826
"1203721"	303.069701	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+ACN+2H"	43.041102
"196595"	1171.16776	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+2Na-H"	44.97116
"636156"	1734.26606	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+2Na-H"	44.97116
"1144036"	608.06946	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2Na-H"	44.97116
"188066"	586.087518	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+2Na"	45.978436
"626885"	867.636668	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+2Na"	45.978436
"1129298"	304.538368	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2Na"	45.978436
"1405169"	203.361337333333	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H+2Na"	46.985712
"1442754"	610.111046	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H+HCOOH"	47.012746
"232448"	591.12054	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+3H2O+2H"	56.04448
"1523551"	624.16309	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+IsoProp+H"	61.06479
"422394"	594.074488	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+Na+K"	61.952376
"785335"	875.623638	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+Na+K"	61.952376
"1678624"	312.525338	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Na+K"	61.952376
"264050"	1190.212368	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+ACN+Na"	64.015768
"1237853"	627.114068	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+ACN+Na"	64.015768
"1727108"	627.137593	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+NH4+HCOOH"	64.039293
"1192097"	210.688651333333	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+3Na"	68.967654
"1660532"	632.092988	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Na+HCOOH"	68.994688
"165569"	1203.11564	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+2K-H"	76.91904
"607324"	1766.21394	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+2K-H"	76.91904
"1090737"	640.01734	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2K-H"	76.91904
"149740"	602.061458	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"2M+2K"	77.926316
"582132"	883.610608	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"3M+2K"	77.926316
"1077097"	320.512308	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2K"	77.926316
"1100215"	642.031892	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2K+H"	78.933592
"1337940"	642.119507	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+DMSO+H"	79.021207
"1006831"	646.158676	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2ACN+H"	83.060376
"1524957"	647.152308	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+IsoProp+Na+H"	84.054008
"996521"	323.582976	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+2ACN+2H"	84.067652
"1596491"	648.066928	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+K+HCOOH"	84.968628
"1417777"	678.098438	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+H+CF3COOH"	115.000138
"1154627"	344.096251	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+3ACN+2H"	125.094202
"1700898"	695.124985	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+NH4+CF3COOH"	132.026685
"1640923"	700.08038	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+Na+CF3COOH"	136.98208
"1574387"	716.05432	"C13031"	"Estramustine phosphate sodium"	"C23H30Cl2NO6P2Na"	"563.0983"	"M+K+CF3COOH"	152.95602
"816297"	198.948	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M"	0
"987033"	179.92961	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-H2O-H"	-19.01839
"69811"	131.624724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M-3H"	-3.021828
"515930"	197.940724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M-3H"	-3.021828
"891544"	65.308724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-3H"	-3.021828
"7933"	197.940724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M-2H"	-2.014552
"443120"	297.414724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M-2H"	-2.014552
"830772"	98.466724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-2H"	-2.014552
"92589"	396.888724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M-H"	-1.007276
"531417"	595.836724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M-H"	-1.007276
"907032"	197.940724	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-H"	-1.007276
"60315"	413.915271	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M-2H+NH4"	16.019271
"496596"	612.863271	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M-2H+NH4"	16.019271
"875491"	214.967271	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-2H+NH4"	16.019271
"39019"	418.870666	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M-2H+Na"	20.974666
"482953"	617.818666	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M-2H+Na"	20.974666
"858564"	219.922666	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-2H+Na"	20.974666
"1627003"	219.922666	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Na-2H"	20.974666
"108634"	215.929063	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M-H+Cl"	33.962126
"549576"	315.403063	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M-H+Cl"	33.962126
"938794"	116.455063	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-H+Cl"	33.962126
"282296"	432.865402	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+Cl"	34.969402
"670871"	631.813402	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+Cl"	34.969402
"1286553"	233.917402	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Cl"	34.969402
"29109"	434.844606	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M-2H+K"	36.948606
"466488"	633.792606	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M-2H+K"	36.948606
"847571"	235.896606	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-2H+K"	36.948606
"1566685"	235.896606	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+K-2H"	36.948606
"953474"	243.946194	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-H+HCOOH"	44.998194
"374973"	442.894201	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+HCOOH-H"	44.998201
"360558"	456.909851	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+Hac-H"	59.013851
"1505504"	257.961851	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Hac-H"	59.013851
"971950"	265.928151	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-H+NaCOOH"	66.980151
"123045"	233.917402	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+2Cl"	69.938804
"565400"	333.391402	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+2Cl"	69.938804
"1030308"	134.443402	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2Cl"	69.938804
"1246604"	277.866885	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Br"	78.918885
"1307961"	279.922872	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Cl+HCOOH"	80.974872
"1327640"	301.904829	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Cl+NaCOOH"	102.956829
"916515"	311.933586	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M-H+CF3COOH"	112.985586
"1301980"	347.910264	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Cl+CF3COOH"	148.962264
"1379047"	163.935324	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H-2H2O"	-35.012676
"1391075"	181.9453	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H-H2O"	-17.0027
"288574"	398.903276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+H"	1.007276
"679173"	597.851276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+H"	1.007276
"1355882"	199.955276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H"	1.007276
"135706"	199.955276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+2H"	2.014552
"573078"	299.429276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+2H"	2.014552
"1044069"	100.481276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2H"	2.014552
"209783"	133.639276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+3H"	3.021828
"649342"	199.955276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+3H"	3.021828
"1167832"	67.323276	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+3H"	3.021828
"431834"	415.929823	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+NH4"	18.033823
"792827"	614.877823	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+NH4"	18.033823
"1691344"	216.981823	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+NH4"	18.033823
"341810"	208.4685495	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+H+NH4"	19.041099
"732044"	307.9425495	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+H+NH4"	19.041099
"1484773"	108.9945495	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H+NH4"	19.041099
"399079"	420.885218	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+Na"	22.989218
"756793"	619.833218	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+Na"	22.989218
"1608172"	221.937218	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Na"	22.989218
"323675"	210.946247	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+H+Na"	23.996494
"712821"	310.420247	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+H+Na"	23.996494
"1465548"	111.472247	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H+Na"	23.996494
"1063168"	74.65059	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2H+Na"	25.00377
"1266668"	231.981486	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+CH3OH+H"	33.033486
"388886"	436.859158	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+K"	38.963158
"749880"	635.807158	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+K"	38.963158
"1553028"	237.911158	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+K"	38.963158
"310933"	218.933217	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+H+K"	39.970434
"705543"	318.407217	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+H+K"	39.970434
"1460826"	119.459217	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H+K"	39.970434
"247968"	439.929826	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+ACN+H"	42.033826
"1223593"	240.981826	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+ACN+H"	42.033826
"1203831"	120.994551	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+ACN+2H"	43.041102
"193425"	442.86716	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+2Na-H"	44.97116
"639546"	641.81516	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+2Na-H"	44.97116
"1140866"	243.91916	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2Na-H"	44.97116
"186342"	221.937218	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+2Na"	45.978436
"623715"	321.411218	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+2Na"	45.978436
"1127221"	122.463218	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2Na"	45.978436
"1406372"	81.977904	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H+2Na"	46.985712
"1442864"	245.960746	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H+HCOOH"	47.012746
"228185"	226.97024	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+3H2O+2H"	56.04448
"1523827"	260.01279	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+IsoProp+H"	61.06479
"422138"	229.924188	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+Na+K"	61.952376
"782406"	329.398188	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+Na+K"	61.952376
"1678371"	130.450188	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Na+K"	61.952376
"263069"	461.911768	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+ACN+Na"	64.015768
"1240517"	262.963768	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+ACN+Na"	64.015768
"1726487"	262.987293	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+NH4+HCOOH"	64.039293
"1191842"	89.305218	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+3Na"	68.967654
"1662828"	267.942688	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Na+HCOOH"	68.994688
"164586"	474.81504	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+2K-H"	76.91904
"611931"	673.76304	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+2K-H"	76.91904
"1090848"	275.86704	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2K-H"	76.91904
"149851"	237.911158	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"2M+2K"	77.926316
"586131"	337.385158	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"3M+2K"	77.926316
"1079391"	138.437158	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2K"	77.926316
"1111509"	277.881592	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2K+H"	78.933592
"1351150"	277.969207	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+DMSO+H"	79.021207
"1020681"	282.008376	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2ACN+H"	83.060376
"1527255"	283.002008	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+IsoProp+Na+H"	84.054008
"994444"	141.507826	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+2ACN+2H"	84.067652
"1592225"	283.916628	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+K+HCOOH"	84.968628
"1417884"	313.948138	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+H+CF3COOH"	115.000138
"1148903"	162.021101	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+3ACN+2H"	125.094202
"1699911"	330.974685	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+NH4+CF3COOH"	132.026685
"1638847"	335.93008	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+Na+CF3COOH"	136.98208
"1574497"	351.90402	"C13034"	"Bronopol"	"C3H6BrNO4"	"198.948"	"M+K+CF3COOH"	152.95602
"813613"	284.214	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M"	0
"980583"	265.19561	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"69921"	188.468724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"516040"	283.206724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"890561"	93.730724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"4763"	283.206724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"443230"	425.313724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"829789"	141.099724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"90875"	567.420724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"527153"	851.634724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"907142"	283.206724	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-H"	-1.007276
"60425"	584.447271	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"495613"	868.661271	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"873414"	300.233271	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"39129"	589.402666	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"480873"	873.616666	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"858674"	305.188666	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1628207"	305.188666	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"104734"	301.195063	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"546848"	443.302063	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"938904"	159.088063	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"278555"	603.397402	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"670981"	887.611402	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1286664"	319.183402	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"29218"	605.376606	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"468782"	889.590606	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"840025"	321.162606	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1566794"	321.162606	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"955772"	329.212194	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"369616"	613.426201	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"355322"	627.441851	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1497230"	343.227851	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"964770"	351.194151	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"118781"	319.183402	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"563804"	461.290402	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1033698"	177.076402	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1252182"	363.132885	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1312442"	365.188872	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1322286"	387.170829	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"912615"	397.199586	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1300631"	433.176264	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1376971"	249.201324	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1391185"	267.2113	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"291964"	569.435276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+H"	1.007276
"679283"	853.649276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1354171"	285.221276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H"	1.007276
"132536"	285.221276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"574281"	427.328276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1041992"	143.114276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2H"	2.014552
"209893"	190.483276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"650545"	285.221276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1168671"	95.745276	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+3H"	3.021828
"429756"	586.461823	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"790752"	870.675823	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1689267"	302.247823	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"339732"	293.7345495	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"729968"	435.8415495	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1485976"	151.6275495	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"396274"	591.417218	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"755443"	875.631218	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1607188"	307.203218	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Na"	22.989218
"322692"	296.212247	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"707454"	438.319247	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1462009"	154.105247	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1053678"	103.07259	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1266777"	317.247486	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"386809"	607.391158	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+K"	38.963158
"746710"	891.605158	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1549856"	323.177158	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+K"	38.963158
"311407"	304.199217	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"699452"	446.306217	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1458377"	162.092217	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"248802"	610.461826	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1215681"	326.247826	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1202846"	163.627551	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"195718"	613.39916	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"633093"	897.61316	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1143161"	329.18516	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"180254"	307.203218	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"623825"	449.310218	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1125144"	165.096218	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1404296"	110.399904	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1442974"	331.226746	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"231575"	312.23624	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1522918"	345.27879	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"423342"	315.190188	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"782881"	457.297188	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1677751"	173.083188	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"265363"	632.443768	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1238073"	348.229768	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1726597"	348.253293	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1191223"	117.727218	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1661116"	353.208688	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"164694"	645.34704	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"611916"	929.56104	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1090960"	361.13304	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"151055"	323.177158	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"589521"	465.284158	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1079506"	181.070158	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1111620"	363.147592	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1351198"	363.235207	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1019695"	367.274376	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1526272"	368.268008	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"994554"	184.140826	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1592335"	369.182628	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1416535"	399.214138	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1148284"	204.654101	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1698199"	416.240685	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1638957"	421.19608	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1574607"	437.17002	"C13037"	"Lynestrenol"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"814816"	281.0664	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M"	0
"980693"	262.04801	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-H2O-H"	-19.01839
"66751"	186.370324	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M-3H"	-3.021828
"512870"	280.059124	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M-3H"	-3.021828
"892858"	92.681524	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-3H"	-3.021828
"7060"	280.059124	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M-2H"	-2.014552
"443340"	420.592324	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M-2H"	-2.014552
"823337"	139.525924	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-2H"	-2.014552
"90985"	561.125524	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M-H"	-1.007276
"526170"	842.191924	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M-H"	-1.007276
"907252"	280.059124	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-H"	-1.007276
"59443"	578.152071	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M-2H+NH4"	16.019271
"499004"	859.218471	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M-2H+NH4"	16.019271
"875711"	297.085671	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-2H+NH4"	16.019271
"39238"	583.107466	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M-2H+Na"	20.974666
"480983"	864.173866	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M-2H+Na"	20.974666
"855504"	302.041066	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-2H+Na"	20.974666
"1625036"	302.041066	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Na-2H"	20.974666
"103751"	298.047463	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M-H+Cl"	33.962126
"545499"	438.580663	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M-H+Cl"	33.962126
"935733"	157.514263	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-H+Cl"	33.962126
"277572"	597.102202	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+Cl"	34.969402
"672184"	878.168602	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+Cl"	34.969402
"1284588"	316.035802	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Cl"	34.969402
"23861"	599.081406	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M-2H+K"	36.948606
"468892"	880.147806	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M-2H+K"	36.948606
"844509"	318.015006	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-2H+K"	36.948606
"1565811"	318.015006	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+K-2H"	36.948606
"955881"	326.064594	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-H+HCOOH"	44.998194
"369727"	607.131001	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+HCOOH-H"	44.998201
"355796"	621.146651	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+Hac-H"	59.013851
"1500620"	340.080251	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Hac-H"	59.013851
"967795"	348.046551	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-H+NaCOOH"	66.980151
"121075"	316.035802	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+2Cl"	69.938804
"561726"	456.569002	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+2Cl"	69.938804
"1029433"	175.502602	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2Cl"	69.938804
"1251198"	359.985285	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Br"	78.918885
"1312552"	362.041272	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Cl+HCOOH"	80.974872
"1322396"	384.023229	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Cl+NaCOOH"	102.956829
"913453"	394.051986	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M-H+CF3COOH"	112.985586
"1298917"	430.028664	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Cl+CF3COOH"	148.962264
"1370155"	246.053724	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H-2H2O"	-35.012676
"1391296"	264.0637	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H-H2O"	-17.0027
"292074"	563.140076	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+H"	1.007276
"677204"	844.206476	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+H"	1.007276
"1351729"	282.073676	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H"	1.007276
"130454"	282.073676	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+2H"	2.014552
"570013"	422.606876	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+2H"	2.014552
"1045378"	141.540476	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2H"	2.014552
"209271"	188.384876	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+3H"	3.021828
"653935"	282.073676	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+3H"	3.021828
"1167688"	94.696076	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+3H"	3.021828
"429866"	580.166623	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+NH4"	18.033823
"795236"	861.233023	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+NH4"	18.033823
"1689377"	299.100223	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+NH4"	18.033823
"337655"	290.5869495	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+H+NH4"	19.041099
"728984"	431.1201495	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+H+NH4"	19.041099
"1482805"	150.0537495	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H+NH4"	19.041099
"398206"	585.122018	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+Na"	22.989218
"755919"	866.188418	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+Na"	22.989218
"1611672"	304.055618	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Na"	22.989218
"322801"	293.064647	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+H+Na"	23.996494
"707204"	433.597847	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+H+Na"	23.996494
"1464674"	152.531447	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H+Na"	23.996494
"1061200"	102.02339	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2H+Na"	25.00377
"1267252"	314.099886	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+CH3OH+H"	33.033486
"388377"	601.095958	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+K"	38.963158
"747913"	882.162358	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+K"	38.963158
"1549966"	320.029558	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+K"	38.963158
"312245"	301.051617	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+H+K"	39.970434
"699562"	441.584817	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+H+K"	39.970434
"1458487"	160.518417	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H+K"	39.970434
"248912"	604.166626	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+ACN+H"	42.033826
"1220165"	323.100226	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+ACN+H"	42.033826
"1205142"	162.053751	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+ACN+2H"	43.041102
"196921"	607.10396	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+2Na-H"	44.97116
"633203"	888.17036	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+2Na-H"	44.97116
"1143271"	326.03756	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2Na-H"	44.97116
"180000"	304.055618	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+2Na"	45.978436
"621019"	444.588818	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+2Na"	45.978436
"1125254"	163.522418	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2Na"	45.978436
"1402946"	109.350704	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H+2Na"	46.985712
"1440900"	328.079146	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H+HCOOH"	47.012746
"231322"	309.08864	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+3H2O+2H"	56.04448
"1521208"	342.13119	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+IsoProp+H"	61.06479
"424062"	312.042588	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+Na+K"	61.952376
"783356"	452.575788	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+Na+K"	61.952376
"1678228"	171.509388	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Na+K"	61.952376
"262923"	626.148568	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+ACN+Na"	64.015768
"1236363"	345.082168	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+ACN+Na"	64.015768
"1725250"	345.105693	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+NH4+HCOOH"	64.039293
"1190969"	116.678018	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+3Na"	68.967654
"1659402"	350.061088	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Na+HCOOH"	68.994688
"164804"	639.05184	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+2K-H"	76.91904
"612026"	920.11824	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+2K-H"	76.91904
"1094350"	357.98544	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2K-H"	76.91904
"150075"	320.029558	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"2M+2K"	77.926316
"590728"	460.562758	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"3M+2K"	77.926316
"1080709"	179.496358	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2K"	77.926316
"1113797"	359.999992	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2K+H"	78.933592
"1350060"	360.087607	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+DMSO+H"	79.021207
"1020534"	364.126776	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2ACN+H"	83.060376
"1527111"	365.120408	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+IsoProp+Na+H"	84.054008
"994664"	182.567026	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+2ACN+2H"	84.067652
"1592446"	366.035028	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+K+HCOOH"	84.968628
"1417012"	396.066538	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+H+CF3COOH"	115.000138
"1150217"	203.080301	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+3ACN+2H"	125.094202
"1699039"	413.093085	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+NH4+CF3COOH"	132.026685
"1642347"	418.04848	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+Na+CF3COOH"	136.98208
"1573623"	434.02242	"C13038"	"Flufenamic acid;FFA"	"C14H10F3NO2"	"281.0664"	"M+K+CF3COOH"	152.95602
"815655"	470.3607	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M"	0
"980803"	451.34231	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-H2O-H"	-19.01839
"66861"	312.566524	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M-3H"	-3.021828
"512980"	469.353424	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M-3H"	-3.021828
"892968"	155.779624	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-3H"	-3.021828
"6077"	469.353424	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M-2H"	-2.014552
"442354"	704.533774	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M-2H"	-2.014552
"822354"	234.173074	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-2H"	-2.014552
"90002"	939.714124	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M-H"	-1.007276
"530655"	1410.074824	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M-H"	-1.007276
"909066"	469.353424	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-H"	-1.007276
"60404"	956.740671	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M-2H+NH4"	16.019271
"496927"	1427.101371	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M-2H+NH4"	16.019271
"874729"	486.379971	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-2H+NH4"	16.019271
"41534"	961.696066	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M-2H+Na"	20.974666
"481092"	1432.056766	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M-2H+Na"	20.974666
"855614"	491.335366	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-2H+Na"	20.974666
"1628427"	491.335366	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Na-2H"	20.974666
"103861"	487.341763	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M-H+Cl"	33.962126
"546702"	722.522113	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M-H+Cl"	33.962126
"934750"	252.161413	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-H+Cl"	33.962126
"277682"	975.690802	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+Cl"	34.969402
"670108"	1446.051502	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+Cl"	34.969402
"1285791"	505.330102	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Cl"	34.969402
"27251"	977.670006	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M-2H+K"	36.948606
"464629"	1448.030706	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M-2H+K"	36.948606
"842433"	507.309306	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-2H+K"	36.948606
"1563735"	507.309306	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+K-2H"	36.948606
"951618"	515.358894	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-H+HCOOH"	44.998194
"370929"	985.719601	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+HCOOH-H"	44.998201
"355905"	999.735251	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+Hac-H"	59.013851
"1499271"	529.374551	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Hac-H"	59.013851
"964625"	537.340851	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-H+NaCOOH"	66.980151
"113532"	505.330102	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+2Cl"	69.938804
"558558"	740.510452	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+2Cl"	69.938804
"1029543"	270.149752	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2Cl"	69.938804
"1253495"	549.279585	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Br"	78.918885
"1316672"	551.335572	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Cl+HCOOH"	80.974872
"1323598"	573.317529	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Cl+NaCOOH"	102.956829
"914655"	583.346286	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M-H+CF3COOH"	112.985586
"1296478"	619.322964	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Cl+CF3COOH"	148.962264
"1373910"	435.348024	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H-2H2O"	-35.012676
"1389220"	453.358	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H-H2O"	-17.0027
"288904"	941.728676	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+H"	1.007276
"676707"	1412.089376	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+H"	1.007276
"1351958"	471.367976	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H"	1.007276
"130564"	471.367976	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+2H"	2.014552
"566599"	706.548326	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+2H"	2.014552
"1044396"	236.187626	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2H"	2.014552
"213391"	314.581076	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+3H"	3.021828
"652952"	471.367976	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+3H"	3.021828
"1172174"	157.794176	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+3H"	3.021828
"431072"	958.755223	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+NH4"	18.033823
"798628"	1429.115923	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+NH4"	18.033823
"1693863"	488.394523	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+NH4"	18.033823
"341047"	479.8812495	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+H+NH4"	19.041099
"729094"	715.0615995	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+H+NH4"	19.041099
"1485101"	244.7008995	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H+NH4"	19.041099
"398318"	963.710618	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+Na"	22.989218
"758218"	1434.071318	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+Na"	22.989218
"1611783"	493.349918	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Na"	22.989218
"322911"	482.358947	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+H+Na"	23.996494
"707804"	717.539297	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+H+Na"	23.996494
"1462598"	247.178597	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H+Na"	23.996494
"1061677"	165.12149	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2H+Na"	25.00377
"1267363"	503.394186	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+CH3OH+H"	33.033486
"389217"	979.684558	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+K"	38.963158
"748023"	1450.045258	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+K"	38.963158
"1550076"	509.323858	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+K"	38.963158
"311263"	490.345917	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+H+K"	39.970434
"703683"	725.526267	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+H+K"	39.970434
"1457505"	255.165567	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H+K"	39.970434
"248658"	982.755226	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+ACN+H"	42.033826
"1219181"	512.394526	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+ACN+H"	42.033826
"1205252"	256.700901	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+ACN+2H"	43.041102
"195938"	985.69256	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+2Na-H"	44.97116
"634406"	1456.05326	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+2Na-H"	44.97116
"1145934"	515.33186	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2Na-H"	44.97116
"180474"	493.349918	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+2Na"	45.978436
"619306"	728.530268	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+2Na"	45.978436
"1125364"	258.169568	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2Na"	45.978436
"1406703"	172.448804	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H+2Na"	46.985712
"1439549"	517.373446	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H+HCOOH"	47.012746
"230338"	498.38294	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+3H2O+2H"	56.04448
"1519131"	531.42549	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+IsoProp+H"	61.06479
"421012"	501.336888	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+Na+K"	61.952376
"782009"	736.517238	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+Na+K"	61.952376
"1675787"	266.156538	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Na+K"	61.952376
"264856"	1004.737168	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+ACN+Na"	64.015768
"1237202"	534.376468	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+ACN+Na"	64.015768
"1724266"	534.399993	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+NH4+HCOOH"	64.039293
"1190350"	179.776118	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+3Na"	68.967654
"1658783"	539.355388	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Na+HCOOH"	68.994688
"166010"	1017.64044	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+2K-H"	76.91904
"610921"	1488.00114	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+2K-H"	76.91904
"1093367"	547.27974	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2K-H"	76.91904
"154437"	509.323858	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"2M+2K"	77.926316
"595945"	744.504208	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"3M+2K"	77.926316
"1081791"	274.143508	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2K"	77.926316
"1114516"	549.294292	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2K+H"	78.933592
"1350291"	549.381907	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+DMSO+H"	79.021207
"1020285"	553.421076	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2ACN+H"	83.060376
"1538892"	554.414708	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+IsoProp+Na+H"	84.054008
"994774"	277.214176	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+2ACN+2H"	84.067652
"1592556"	555.329328	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+K+HCOOH"	84.968628
"1419308"	585.360838	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+H+CF3COOH"	115.000138
"1149598"	297.727451	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+3ACN+2H"	125.094202
"1698054"	602.387385	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+NH4+CF3COOH"	132.026685
"1642457"	607.34278	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+Na+CF3COOH"	136.98208
"1572274"	623.31672	"C13044"	"Tricaprilin;Trioctanoylglycerol"	"C27H50O6"	"470.3607"	"M+K+CF3COOH"	152.95602
"816891"	259.061	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M"	0
"989817"	240.04261	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-H2O-H"	-19.01839
"76811"	171.700057333333	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M-3H"	-3.021828
"516371"	258.053724	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M-3H"	-3.021828
"895146"	85.3463906666667	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-3H"	-3.021828
"6189"	258.053724	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M-2H"	-2.014552
"450121"	387.584224	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M-2H"	-2.014552
"831212"	128.523224	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-2H"	-2.014552
"92177"	517.114724	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M-H"	-1.007276
"530765"	776.175724	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M-H"	-1.007276
"910148"	258.053724	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-H"	-1.007276
"59663"	534.141271	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M-2H+NH4"	16.019271
"495946"	793.202271	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M-2H+NH4"	16.019271
"878122"	275.080271	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-2H+NH4"	16.019271
"45412"	539.096666	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M-2H+Na"	20.974666
"485335"	798.157666	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M-2H+Na"	20.974666
"861191"	280.035666	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-2H+Na"	20.974666
"1628537"	280.035666	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Na-2H"	20.974666
"103972"	276.042063	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M-H+Cl"	33.962126
"547787"	405.572563	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M-H+Cl"	33.962126
"940818"	146.511563	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-H+Cl"	33.962126
"281805"	553.091402	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+Cl"	34.969402
"672407"	812.152402	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+Cl"	34.969402
"1286992"	294.030402	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Cl"	34.969402
"28455"	555.070606	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M-2H+K"	36.948606
"465837"	814.131606	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M-2H+K"	36.948606
"843638"	296.009606	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-2H+K"	36.948606
"1568953"	296.009606	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+K-2H"	36.948606
"956103"	304.059194	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-H+HCOOH"	44.998194
"373224"	563.120201	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+HCOOH-H"	44.998201
"357108"	577.135851	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+Hac-H"	59.013851
"1502660"	318.074851	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Hac-H"	59.013851
"966921"	326.041151	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-H+NaCOOH"	66.980151
"120204"	294.030402	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+2Cl"	69.938804
"561952"	423.560902	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+2Cl"	69.938804
"1032938"	164.499902	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2Cl"	69.938804
"1249235"	337.979885	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Br"	78.918885
"1313867"	340.035872	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Cl+HCOOH"	80.974872
"1329180"	362.017829	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Cl+NaCOOH"	102.956829
"918050"	372.046586	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M-H+CF3COOH"	112.985586
"1296955"	408.023264	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Cl+CF3COOH"	148.962264
"1377304"	224.048324	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H-2H2O"	-35.012676
"1389332"	242.0583	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H-H2O"	-17.0027
"294485"	519.129276	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+H"	1.007276
"682532"	778.190276	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+H"	1.007276
"1358880"	260.068276	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H"	1.007276
"128489"	260.068276	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+2H"	2.014552
"572424"	389.598776	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+2H"	2.014552
"1043412"	130.537776	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2H"	2.014552
"209126"	173.714609333333	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+3H"	3.021828
"649049"	260.068276	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+3H"	3.021828
"1173373"	87.3609426666667	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+3H"	3.021828
"428991"	536.155823	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+NH4"	18.033823
"798741"	795.216823	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+NH4"	18.033823
"1691787"	277.094823	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+NH4"	18.033823
"342251"	268.5815495	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+H+NH4"	19.041099
"728111"	398.1120495	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+H+NH4"	19.041099
"1483027"	139.0510495	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H+NH4"	19.041099
"400614"	541.111218	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+Na"	22.989218
"759421"	800.172218	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+Na"	22.989218
"1611896"	282.050218	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Na"	22.989218
"325211"	271.059247	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+H+Na"	23.996494
"712167"	400.589747	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+H+Na"	23.996494
"1471457"	141.528747	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H+Na"	23.996494
"1064702"	94.6882566666666	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2H+Na"	25.00377
"1272213"	292.094486	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+CH3OH+H"	33.033486
"390423"	557.085158	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+K"	38.963158
"753652"	816.146158	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+K"	38.963158
"1553473"	298.024158	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+K"	38.963158
"313818"	279.046217	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+H+K"	39.970434
"707008"	408.576717	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+H+K"	39.970434
"1461071"	149.515717	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H+K"	39.970434
"250888"	560.155826	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+ACN+H"	42.033826
"1225133"	301.094826	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+ACN+H"	42.033826
"1209298"	151.051051	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+ACN+2H"	43.041102
"201151"	563.09316	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+2Na-H"	44.97116
"643147"	822.15416	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+2Na-H"	44.97116
"1144227"	304.03216	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2Na-H"	44.97116
"187839"	282.050218	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+2Na"	45.978436
"620877"	411.580718	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+2Na"	45.978436
"1123288"	152.519718	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2Na"	45.978436
"1404625"	102.015570666667	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H+2Na"	46.985712
"1437836"	306.073746	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H+HCOOH"	47.012746
"232639"	287.08324	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+3H2O+2H"	56.04448
"1519606"	320.12579	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+IsoProp+H"	61.06479
"420028"	290.037188	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+Na+K"	61.952376
"781023"	419.567688	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+Na+K"	61.952376
"1675896"	160.506688	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Na+K"	61.952376
"261689"	582.137768	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+ACN+Na"	64.015768
"1236219"	323.076768	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+ACN+Na"	64.015768
"1724011"	323.100293	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+NH4+HCOOH"	64.039293
"1191189"	109.342884666667	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+3Na"	68.967654
"1659988"	328.055688	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Na+HCOOH"	68.994688
"171592"	595.04104	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+2K-H"	76.91904
"608965"	854.10204	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+2K-H"	76.91904
"1094572"	335.98004	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2K-H"	76.91904
"150295"	298.024158	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"2M+2K"	77.926316
"594108"	427.554658	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"3M+2K"	77.926316
"1081902"	168.493658	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2K"	77.926316
"1113896"	337.994592	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2K+H"	78.933592
"1349185"	338.082207	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+DMSO+H"	79.021207
"1020025"	342.121376	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2ACN+H"	83.060376
"1539248"	343.115008	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+IsoProp+Na+H"	84.054008
"998166"	171.564326	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+2ACN+2H"	84.067652
"1598136"	344.029628	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+K+HCOOH"	84.968628
"1419420"	374.061138	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+H+CF3COOH"	115.000138
"1157365"	192.077601	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+3ACN+2H"	125.094202
"1701448"	391.087685	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+NH4+CF3COOH"	132.026685
"1642567"	396.04308	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+Na+CF3COOH"	136.98208
"1574936"	412.01702	"C13048"	"p-Nitrophenyl-O-ethyl ethylphosphonate;Ethyl 4-nitrophenyl ethylphosphonate"	"C10H14NO5P"	"259.061"	"M+K+CF3COOH"	152.95602
"815146"	541.0611	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M"	0
"981023"	522.04271	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-H2O-H"	-19.01839
"70361"	359.700124	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M-3H"	-3.021828
"515023"	540.053824	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M-3H"	-3.021828
"892824"	179.346424	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-3H"	-3.021828
"9578"	540.053824	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M-2H"	-2.014552
"444764"	810.584374	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M-2H"	-2.014552
"832294"	269.523274	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-2H"	-2.014552
"93380"	1081.114924	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M-H"	-1.007276
"533792"	1622.176024	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M-H"	-1.007276
"910621"	540.053824	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-H"	-1.007276
"62088"	1098.141471	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M-2H+NH4"	16.019271
"501767"	1639.202571	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M-2H+NH4"	16.019271
"878717"	557.080371	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-2H+NH4"	16.019271
"46697"	1103.096866	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M-2H+Na"	20.974666
"485566"	1644.157966	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M-2H+Na"	20.974666
"861301"	562.035766	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-2H+Na"	20.974666
"1630834"	562.035766	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Na-2H"	20.974666
"105175"	558.042163	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M-H+Cl"	33.962126
"548018"	828.572713	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M-H+Cl"	33.962126
"942265"	287.511613	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-H+Cl"	33.962126
"282117"	1117.091602	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+Cl"	34.969402
"673975"	1658.152702	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+Cl"	34.969402
"1286009"	576.030502	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Cl"	34.969402
"27472"	1119.070806	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M-2H+K"	36.948606
"470319"	1660.131906	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M-2H+K"	36.948606
"844841"	578.009706	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-2H+K"	36.948606
"1569426"	578.009706	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+K-2H"	36.948606
"957306"	586.059294	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-H+HCOOH"	44.998194
"371147"	1127.120401	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+HCOOH-H"	44.998201
"357218"	1141.136051	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+Hac-H"	59.013851
"1503864"	600.074951	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Hac-H"	59.013851
"967031"	608.041251	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-H+NaCOOH"	66.980151
"124688"	576.030502	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+2Cl"	69.938804
"564249"	846.561052	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+2Cl"	69.938804
"1030861"	305.499952	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2Cl"	69.938804
"1247158"	619.979985	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Br"	78.918885
"1315070"	622.035972	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Cl+HCOOH"	80.974872
"1329285"	644.017929	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Cl+NaCOOH"	102.956829
"921436"	654.046686	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M-H+CF3COOH"	112.985586
"1294879"	690.023364	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Cl+CF3COOH"	148.962264
"1374133"	506.048424	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H-2H2O"	-35.012676
"1385432"	524.0584	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H-H2O"	-17.0027
"290221"	1083.129476	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+H"	1.007276
"677902"	1624.190576	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+H"	1.007276
"1354617"	542.068376	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H"	1.007276
"129693"	542.068376	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+2H"	2.014552
"571441"	812.598926	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+2H"	2.014552
"1042792"	271.537826	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2H"	2.014552
"205954"	361.714676	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+3H"	3.021828
"646972"	542.068376	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+3H"	3.021828
"1170203"	181.360976	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+3H"	3.021828
"428007"	1100.156023	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+NH4"	18.033823
"794477"	1641.217123	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+NH4"	18.033823
"1686430"	559.094923	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+NH4"	18.033823
"341268"	550.5816495	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+H+NH4"	19.041099
"729315"	821.1121995	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+H+NH4"	19.041099
"1483135"	280.0510995	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H+NH4"	19.041099
"397807"	1105.111418	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+Na"	22.989218
"756250"	1646.172518	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+Na"	22.989218
"1609817"	564.050318	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Na"	22.989218
"322042"	553.059347	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+H+Na"	23.996494
"708998"	823.589897	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+H+Na"	23.996494
"1471567"	282.528797	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H+Na"	23.996494
"1061531"	188.68829	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2H+Na"	25.00377
"1269770"	574.094586	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+CH3OH+H"	33.033486
"389439"	1121.085358	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+K"	38.963158
"753352"	1662.146458	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+K"	38.963158
"1552488"	580.024258	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+K"	38.963158
"313721"	561.046317	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+H+K"	39.970434
"706423"	831.576867	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+H+K"	39.970434
"1461135"	290.515767	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H+K"	39.970434
"250586"	1124.156026	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+ACN+H"	42.033826
"1223414"	583.094926	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+ACN+H"	42.033826
"1208998"	292.051101	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+ACN+2H"	43.041102
"201261"	1127.09336	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+2Na-H"	44.97116
"636816"	1668.15446	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+2Na-H"	44.97116
"1141417"	586.03226	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2Na-H"	44.97116
"185799"	564.050318	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+2Na"	45.978436
"618433"	834.580868	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+2Na"	45.978436
"1119753"	293.519768	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2Na"	45.978436
"1401087"	196.015604	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H+2Na"	46.985712
"1436853"	588.073846	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H+HCOOH"	47.012746
"227642"	569.08334	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+3H2O+2H"	56.04448
"1518985"	602.12589	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+IsoProp+H"	61.06479
"419408"	572.037288	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+Na+K"	61.952376
"781862"	842.567838	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+Na+K"	61.952376
"1676734"	301.506738	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Na+K"	61.952376
"261799"	1146.137968	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+ACN+Na"	64.015768
"1236693"	605.076868	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+ACN+Na"	64.015768
"1724850"	605.100393	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+NH4+HCOOH"	64.039293
"1190206"	203.342918	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+3Na"	68.967654
"1659368"	610.055788	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Na+HCOOH"	68.994688
"168420"	1159.04124	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+2K-H"	76.91904
"606889"	1700.10234	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+2K-H"	76.91904
"1091402"	617.98014	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2K-H"	76.91904
"148215"	580.024258	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"2M+2K"	77.926316
"592152"	850.554808	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"3M+2K"	77.926316
"1079946"	309.493708	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2K"	77.926316
"1113153"	619.994692	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2K+H"	78.933592
"1346256"	620.082307	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+DMSO+H"	79.021207
"1014788"	624.121476	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2ACN+H"	83.060376
"1537287"	625.115108	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+IsoProp+Na+H"	84.054008
"998277"	312.564376	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+2ACN+2H"	84.067652
"1596059"	626.029728	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+K+HCOOH"	84.968628
"1418436"	656.061238	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+H+CF3COOH"	115.000138
"1155288"	333.077651	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+3ACN+2H"	125.094202
"1699371"	673.087785	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+NH4+CF3COOH"	132.026685
"1639397"	678.04318	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+Na+CF3COOH"	136.98208
"1572494"	694.01712	"C13050"	"Cyclic ADP-ribose;cADPR"	"C15H21N5O13P2"	"541.0611"	"M+K+CF3COOH"	152.95602
"815985"	745.0673	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M"	0
"980040"	726.04891	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-H2O-H"	-19.01839
"70471"	495.704257333333	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M-3H"	-3.021828
"515497"	744.060024	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M-3H"	-3.021828
"893298"	247.348490666667	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-3H"	-3.021828
"9688"	744.060024	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M-2H"	-2.014552
"443781"	1116.593674	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M-2H"	-2.014552
"832161"	371.526374	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-2H"	-2.014552
"90329"	1489.127324	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M-H"	-1.007276
"533660"	2234.194624	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M-H"	-1.007276
"910851"	744.060024	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-H"	-1.007276
"61345"	1506.153871	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M-2H+NH4"	16.019271
"501631"	2251.221171	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M-2H+NH4"	16.019271
"877247"	761.086571	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-2H+NH4"	16.019271
"46927"	1511.109266	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M-2H+Na"	20.974666
"485312"	2256.176566	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M-2H+Na"	20.974666
"861411"	766.041966	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-2H+Na"	20.974666
"1632767"	766.041966	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Na-2H"	20.974666
"105285"	762.048363	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M-H+Cl"	33.962126
"548128"	1134.582013	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M-H+Cl"	33.962126
"942252"	389.514713	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-H+Cl"	33.962126
"282024"	1525.104002	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+Cl"	34.969402
"673723"	2270.171302	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+Cl"	34.969402
"1286119"	780.036702	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Cl"	34.969402
"26489"	1527.083206	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M-2H+K"	36.948606
"469701"	2272.150506	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M-2H+K"	36.948606
"844951"	782.015906	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-2H+K"	36.948606
"1570834"	782.015906	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+K-2H"	36.948606
"954136"	790.065494	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-H+HCOOH"	44.998194
"371257"	1535.132801	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+HCOOH-H"	44.998201
"357328"	1549.148451	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+Hac-H"	59.013851
"1503974"	804.081151	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Hac-H"	59.013851
"967141"	812.047451	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-H+NaCOOH"	66.980151
"125163"	780.036702	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+2Cl"	69.938804
"563266"	1152.570352	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+2Cl"	69.938804
"1030971"	407.503052	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2Cl"	69.938804
"1247268"	823.986185	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Br"	78.918885
"1312994"	826.042172	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Cl+HCOOH"	80.974872
"1329395"	848.024129	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Cl+NaCOOH"	102.956829
"923733"	858.052886	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M-H+CF3COOH"	112.985586
"1298267"	894.029564	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Cl+CF3COOH"	148.962264
"1374244"	710.054624	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H-2H2O"	-35.012676
"1387366"	728.0646	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H-H2O"	-17.0027
"289237"	1491.141876	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+H"	1.007276
"677286"	2236.209176	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+H"	1.007276
"1352540"	746.074576	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H"	1.007276
"131990"	746.074576	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+2H"	2.014552
"570456"	1118.608226	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+2H"	2.014552
"1043632"	373.540926	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2H"	2.014552
"206064"	497.718809333333	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+3H"	3.021828
"646353"	746.074576	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+3H"	3.021828
"1170313"	249.363042666667	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+3H"	3.021828
"427752"	1508.168423	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+NH4"	18.033823
"796775"	2253.235723	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+NH4"	18.033823
"1692008"	763.101123	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+NH4"	18.033823
"338098"	754.5878495	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+H+NH4"	19.041099
"727238"	1127.1214995	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+H+NH4"	19.041099
"1483246"	382.0541995	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H+NH4"	19.041099
"397554"	1513.123818	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+Na"	22.989218
"756363"	2258.191118	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+Na"	22.989218
"1608834"	768.056518	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Na"	22.989218
"322152"	757.065547	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+H+Na"	23.996494
"709472"	1129.599197	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+H+Na"	23.996494
"1470584"	384.531897	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H+Na"	23.996494
"1060548"	256.690356666667	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2H+Na"	25.00377
"1268787"	778.100786	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+CH3OH+H"	33.033486
"389549"	1529.097758	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+K"	38.963158
"753828"	2274.165058	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+K"	38.963158
"1553691"	784.030458	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+K"	38.963158
"313993"	765.052517	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+H+K"	39.970434
"706776"	1137.586167	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+H+K"	39.970434
"1460756"	392.518867	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H+K"	39.970434
"249724"	1532.168426	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+ACN+H"	42.033826
"1223160"	787.101126	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+ACN+H"	42.033826
"1206679"	394.054201	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+ACN+2H"	43.041102
"201371"	1535.10576	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+2Na-H"	44.97116
"635831"	2280.17306	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+2Na-H"	44.97116
"1142621"	790.03846	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2Na-H"	44.97116
"179347"	768.056518	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+2Na"	45.978436
"617449"	1140.590168	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+2Na"	45.978436
"1118770"	395.522868	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2Na"	45.978436
"1402290"	264.017670666667	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H+2Na"	46.985712
"1433682"	792.080046	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H+HCOOH"	47.012746
"227752"	773.08954	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+3H2O+2H"	56.04448
"1519460"	806.13209	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+IsoProp+H"	61.06479
"412222"	776.043488	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+Na+K"	61.952376
"780877"	1148.577138	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+Na+K"	61.952376
"1675022"	403.509838	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Na+K"	61.952376
"261544"	1554.150368	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+ACN+Na"	64.015768
"1236436"	809.083068	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+ACN+Na"	64.015768
"1719855"	809.106593	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+NH4+HCOOH"	64.039293
"1188493"	271.344984666667	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+3Na"	68.967654
"1658385"	814.061988	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Na+HCOOH"	68.994688
"166337"	1567.05364	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+2K-H"	76.91904
"606995"	2312.12094	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+2K-H"	76.91904
"1090782"	821.98634	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2K-H"	76.91904
"149418"	784.030458	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"2M+2K"	77.926316
"591165"	1156.564108	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"3M+2K"	77.926316
"1078962"	411.496808	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2K"	77.926316
"1113263"	824.000892	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2K+H"	78.933592
"1344179"	824.088507	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+DMSO+H"	79.021207
"1014897"	828.127676	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2ACN+H"	83.060376
"1535209"	829.121308	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+IsoProp+Na+H"	84.054008
"996199"	414.567476	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+2ACN+2H"	84.067652
"1596169"	830.035928	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+K+HCOOH"	84.968628
"1418546"	860.067438	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+H+CF3COOH"	115.000138
"1154305"	435.080751	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+3ACN+2H"	125.094202
"1699844"	877.093985	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+NH4+CF3COOH"	132.026685
"1639507"	882.04938	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+Na+CF3COOH"	136.98208
"1573333"	898.02332	"C13051"	"Nicotinic acid adenine dinucleotide phosphate;Nicotinate-adenine dinucleotide phosphate;NAADP"	"C21H28N6O18P3"	"745.0673"	"M+K+CF3COOH"	152.95602
"815366"	496.1249	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M"	0
"986711"	477.10651	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-H2O-H"	-19.01839
"70580"	329.742657333333	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M-3H"	-3.021828
"510140"	495.117624	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M-3H"	-3.021828
"890128"	164.367690666667	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-3H"	-3.021828
"6518"	495.117624	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M-2H"	-2.014552
"442797"	743.180074	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M-2H"	-2.014552
"823886"	247.055174	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-2H"	-2.014552
"84971"	991.242524	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M-H"	-1.007276
"519060"	1487.367424	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M-H"	-1.007276
"905615"	495.117624	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-H"	-1.007276
"61084"	1008.269071	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M-2H+NH4"	16.019271
"491895"	1504.393971	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M-2H+NH4"	16.019271
"874071"	512.144171	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-2H+NH4"	16.019271
"43066"	1013.224466	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M-2H+Na"	20.974666
"483720"	1509.349366	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M-2H+Na"	20.974666
"853137"	517.099566	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-2H+Na"	20.974666
"1621211"	517.099566	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Na-2H"	20.974666
"97011"	513.105963	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M-H+Cl"	33.962126
"540582"	761.168413	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M-H+Cl"	33.962126
"939565"	265.043513	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-H+Cl"	33.962126
"282380"	1027.219202	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+Cl"	34.969402
"674195"	1523.344102	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+Cl"	34.969402
"1286108"	531.094302	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Cl"	34.969402
"22223"	1029.198406	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M-2H+K"	36.948606
"469083"	1525.323306	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M-2H+K"	36.948606
"845061"	533.073506	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-2H+K"	36.948606
"1563082"	533.073506	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+K-2H"	36.948606
"955340"	541.123094	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-H+HCOOH"	44.998194
"371367"	1037.248001	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+HCOOH-H"	44.998201
"361196"	1051.263651	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+Hac-H"	59.013851
"1506271"	555.138751	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Hac-H"	59.013851
"969438"	563.105051	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-H+NaCOOH"	66.980151
"125034"	531.094302	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+2Cl"	69.938804
"564469"	779.156752	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+2Cl"	69.938804
"1034362"	283.031852	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2Cl"	69.938804
"1247377"	575.043785	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Br"	78.918885
"1313103"	577.099772	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Cl+HCOOH"	80.974872
"1327318"	599.081729	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Cl+NaCOOH"	102.956829
"918376"	609.110486	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M-H+CF3COOH"	112.985586
"1298377"	645.087164	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Cl+CF3COOH"	148.962264
"1377634"	461.112224	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H-2H2O"	-35.012676
"1391850"	479.1222	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H-H2O"	-17.0027
"290441"	993.257076	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+H"	1.007276
"676668"	1489.381976	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+H"	1.007276
"1353745"	497.132176	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H"	1.007276
"132100"	497.132176	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+2H"	2.014552
"570566"	745.194626	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+2H"	2.014552
"1042649"	249.069726	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2H"	2.014552
"206174"	331.757209333333	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+3H"	3.021828
"646828"	497.132176	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+3H"	3.021828
"1170423"	166.382242666667	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+3H"	3.021828
"426041"	1010.283623	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+NH4"	18.033823
"792511"	1506.408523	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+NH4"	18.033823
"1691754"	514.158723	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+NH4"	18.033823
"337115"	505.6454495	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+H+NH4"	19.041099
"724797"	753.7078995	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+H+NH4"	19.041099
"1482263"	257.5829995	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H+NH4"	19.041099
"393651"	1015.239018	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+Na"	22.989218
"758656"	1511.363918	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+Na"	22.989218
"1606754"	519.114118	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Na"	22.989218
"317885"	508.123147	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+H+Na"	23.996494
"708849"	756.185597	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+H+Na"	23.996494
"1467408"	260.060697	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H+Na"	23.996494
"1058468"	173.709556666667	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2H+Na"	25.00377
"1263428"	529.158386	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+CH3OH+H"	33.033486
"387470"	1031.212958	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+K"	38.963158
"751749"	1527.337858	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+K"	38.963158
"1552343"	535.088058	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+K"	38.963158
"311346"	516.110117	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+H+K"	39.970434
"703399"	764.172567	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+H+K"	39.970434
"1457948"	268.047667	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H+K"	39.970434
"248374"	1034.283626	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+ACN+H"	42.033826
"1220715"	538.158726	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+ACN+H"	42.033826
"1206786"	269.583001	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+ACN+2H"	43.041102
"200751"	1037.22096	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+2Na-H"	44.97116
"634846"	1533.34586	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+2Na-H"	44.97116
"1138354"	541.09606	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2Na-H"	44.97116
"180551"	519.114118	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+2Na"	45.978436
"614642"	767.176568	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+2Na"	45.978436
"1117785"	271.051668	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2Na"	45.978436
"1400577"	181.036870666667	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H+2Na"	46.985712
"1431482"	543.137646	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H+HCOOH"	47.012746
"227862"	524.14714	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+3H2O+2H"	56.04448
"1513738"	557.18969	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+IsoProp+H"	61.06479
"414516"	527.101088	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+Na+K"	61.952376
"779894"	775.163538	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+Na+K"	61.952376
"1675132"	279.038638	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Na+K"	61.952376
"258374"	1056.265568	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+ACN+Na"	64.015768
"1235452"	560.140668	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+ACN+Na"	64.015768
"1721058"	560.164193	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+NH4+HCOOH"	64.039293
"1187510"	188.364184666667	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+3Na"	68.967654
"1656308"	565.119588	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Na+HCOOH"	68.994688
"165354"	1069.16884	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+2K-H"	76.91904
"607105"	1565.29374	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+2K-H"	76.91904
"1092715"	573.04394	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2K-H"	76.91904
"149531"	535.088058	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"2M+2K"	77.926316
"590183"	783.150508	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"3M+2K"	77.926316
"1080165"	287.025608	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2K"	77.926316
"1114833"	575.058492	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2K+H"	78.933592
"1350851"	575.146107	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+DMSO+H"	79.021207
"1018287"	579.185276	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2ACN+H"	83.060376
"1537506"	580.178908	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+IsoProp+Na+H"	84.054008
"996309"	290.096276	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+2ACN+2H"	84.067652
"1592999"	581.093528	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+K+HCOOH"	84.968628
"1417198"	611.125038	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+H+CF3COOH"	115.000138
"1154415"	310.609551	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+3ACN+2H"	125.094202
"1699225"	628.151585	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+NH4+CF3COOH"	132.026685
"1635970"	633.10698	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+Na+CF3COOH"	136.98208
"1573443"	649.08092	"C13055"	"Oxytetracycline hydrochloride;OTC"	"C22H24N2O9HCl"	"496.1249"	"M+K+CF3COOH"	152.95602
"816882"	170.9844	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M"	0
"989009"	151.96601	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-H2O-H"	-19.01839
"70690"	112.982324	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M-3H"	-3.021828
"508064"	169.977124	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M-3H"	-3.021828
"889145"	55.987524	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-3H"	-3.021828
"9908"	169.977124	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M-2H"	-2.014552
"447281"	255.469324	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M-2H"	-2.014552
"823996"	84.484924	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-2H"	-2.014552
"83988"	340.961524	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M-H"	-1.007276
"519534"	511.945924	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M-H"	-1.007276
"905725"	169.977124	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-H"	-1.007276
"59007"	357.988071	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M-2H+NH4"	16.019271
"492005"	528.972471	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M-2H+NH4"	16.019271
"868714"	187.003671	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-2H+NH4"	16.019271
"44269"	362.943466	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M-2H+Na"	20.974666
"485289"	533.927866	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M-2H+Na"	20.974666
"852883"	191.959066	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-2H+Na"	20.974666
"1618807"	191.959066	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Na-2H"	20.974666
"96757"	187.965463	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M-H+Cl"	33.962126
"539598"	273.457663	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M-H+Cl"	33.962126
"937488"	102.473263	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-H+Cl"	33.962126
"281519"	376.938202	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+Cl"	34.969402
"673213"	547.922602	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+Cl"	34.969402
"1286947"	205.953802	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Cl"	34.969402
"22333"	378.917406	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M-2H+K"	36.948606
"469193"	549.901806	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M-2H+K"	36.948606
"844079"	207.933006	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-2H+K"	36.948606
"1562099"	207.933006	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+K-2H"	36.948606
"956543"	215.982594	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-H+HCOOH"	44.998194
"371477"	386.967001	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+HCOOH-H"	44.998201
"359735"	400.982651	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+Hac-H"	59.013851
"1506381"	229.998251	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Hac-H"	59.013851
"967361"	237.964551	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-H+NaCOOH"	66.980151
"123567"	205.953802	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+2Cl"	69.938804
"564579"	291.446002	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+2Cl"	69.938804
"1034472"	120.461602	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2Cl"	69.938804
"1249674"	249.903285	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Br"	78.918885
"1312121"	251.959272	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Cl+HCOOH"	80.974872
"1333989"	273.941229	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Cl+NaCOOH"	102.956829
"918487"	283.969986	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M-H+CF3COOH"	112.985586
"1298488"	319.946664	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Cl+CF3COOH"	148.962264
"1374463"	135.971724	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H-2H2O"	-35.012676
"1393053"	153.9817	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H-H2O"	-17.0027
"291644"	342.976076	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+H"	1.007276
"679694"	513.960476	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+H"	1.007276
"1358228"	171.991676	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H"	1.007276
"136586"	171.991676	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+2H"	2.014552
"572863"	257.483876	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+2H"	2.014552
"1043852"	86.499476	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2H"	2.014552
"208470"	114.996876	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+3H"	3.021828
"649124"	171.991676	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+3H"	3.021828
"1171626"	58.002076	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+3H"	3.021828
"427972"	360.002623	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+NH4"	18.033823
"795901"	530.987023	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+NH4"	18.033823
"1691135"	189.018223	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+NH4"	18.033823
"338318"	180.5049495	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+H+NH4"	19.041099
"725271"	265.9971495	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+H+NH4"	19.041099
"1482736"	95.0127495	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H+NH4"	19.041099
"395949"	364.958018	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+Na"	22.989218
"757308"	535.942418	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+Na"	22.989218
"1607959"	193.973618	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Na"	22.989218
"320184"	182.982647	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+H+Na"	23.996494
"711510"	268.474847	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+H+Na"	23.996494
"1464966"	97.490447	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H+Na"	23.996494
"1060765"	65.32939	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2H+Na"	25.00377
"1264631"	204.017886	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+CH3OH+H"	33.033486
"388676"	380.931958	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+K"	38.963158
"749672"	551.916358	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+K"	38.963158
"1552455"	209.947558	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+K"	38.963158
"309633"	190.969617	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+H+K"	39.970434
"702414"	276.461817	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+H+K"	39.970434
"1458059"	105.477417	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H+K"	39.970434
"248848"	384.002626	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+ACN+H"	42.033826
"1223743"	213.018226	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+ACN+H"	42.033826
"1205805"	107.012751	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+ACN+2H"	43.041102
"194302"	386.93996	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+2Na-H"	44.97116
"636052"	557.92436	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+2Na-H"	44.97116
"1136642"	215.95556	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2Na-H"	44.97116
"177745"	193.973618	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+2Na"	45.978436
"615114"	279.465818	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+2Na"	45.978436
"1120078"	108.481418	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2Na"	45.978436
"1401055"	72.656704	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H+2Na"	46.985712
"1432804"	217.997146	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H+HCOOH"	47.012746
"223594"	199.00664	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+3H2O+2H"	56.04448
"1512753"	232.04919	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+IsoProp+H"	61.06479
"414625"	201.960588	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+Na+K"	61.952376
"780006"	287.452788	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+Na+K"	61.952376
"1674150"	116.468388	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Na+K"	61.952376
"259576"	405.984568	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+ACN+Na"	64.015768
"1233010"	235.000168	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+ACN+Na"	64.015768
"1718982"	235.023693	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+NH4+HCOOH"	64.039293
"1185431"	79.984018	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+3Na"	68.967654
"1660788"	239.979088	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Na+HCOOH"	68.994688
"166560"	418.88784	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+2K-H"	76.91904
"603935"	589.87224	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+2K-H"	76.91904
"1093916"	247.90344	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2K-H"	76.91904
"150732"	209.947558	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"2M+2K"	77.926316
"589198"	295.439758	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"3M+2K"	77.926316
"1081366"	124.455358	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2K"	77.926316
"1106920"	249.917992	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2K+H"	78.933592
"1342212"	250.005607	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+DMSO+H"	79.021207
"1011837"	254.044776	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2ACN+H"	83.060376
"1536523"	255.038408	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+IsoProp+Na+H"	84.054008
"997503"	127.526026	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+2ACN+2H"	84.067652
"1595296"	255.953028	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+K+HCOOH"	84.968628
"1418766"	285.984538	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+H+CF3COOH"	115.000138
"1154525"	148.039301	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+3ACN+2H"	125.094202
"1700793"	303.011085	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+NH4+CF3COOH"	132.026685
"1636444"	307.96648	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+Na+CF3COOH"	136.98208
"1572095"	323.94042	"C13058"	"Calcium L-aspartate"	"C4H5NO4Ca"	"170.9844"	"M+K+CF3COOH"	152.95602
"816479"	295.0627	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M"	0
"989119"	276.04431	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-H2O-H"	-19.01839
"70800"	195.701190666667	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M-3H"	-3.021828
"512547"	294.055424	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M-3H"	-3.021828
"891442"	97.3469573333333	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-3H"	-3.021828
"10017"	294.055424	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M-2H"	-2.014552
"447390"	441.586774	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M-2H"	-2.014552
"820825"	146.524074	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-2H"	-2.014552
"85191"	589.118124	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M-H"	-1.007276
"520377"	884.180824	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M-H"	-1.007276
"908022"	294.055424	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-H"	-1.007276
"54742"	606.144671	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M-2H+NH4"	16.019271
"494302"	901.207371	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M-2H+NH4"	16.019271
"868823"	311.081971	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-2H+NH4"	16.019271
"44379"	611.100066	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M-2H+Na"	20.974666
"481752"	906.162766	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M-2H+Na"	20.974666
"858460"	316.037366	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-2H+Na"	20.974666
"1622526"	316.037366	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Na-2H"	20.974666
"99054"	312.043763	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M-H+Cl"	33.962126
"542988"	459.575113	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M-H+Cl"	33.962126
"937598"	164.512413	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-H+Cl"	33.962126
"280409"	625.094802	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+Cl"	34.969402
"674053"	920.157502	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+Cl"	34.969402
"1287545"	330.032102	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Cl"	34.969402
"24630"	627.074006	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M-2H+K"	36.948606
"468576"	922.136706	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M-2H+K"	36.948606
"846012"	332.011306	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-2H+K"	36.948606
"1567677"	332.011306	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+K-2H"	36.948606
"957383"	340.060894	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-H+HCOOH"	44.998194
"372681"	635.123601	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+HCOOH-H"	44.998201
"358752"	649.139251	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+Hac-H"	59.013851
"1505398"	354.076551	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Hac-H"	59.013851
"968565"	362.042851	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-H+NaCOOH"	66.980151
"125131"	330.032102	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+2Cl"	69.938804
"563965"	477.563452	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+2Cl"	69.938804
"1036040"	182.500752	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2Cl"	69.938804
"1253065"	373.981585	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Br"	78.918885
"1314419"	376.037572	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Cl+HCOOH"	80.974872
"1334099"	398.019529	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Cl+NaCOOH"	102.956829
"916410"	408.048286	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M-H+CF3COOH"	112.985586
"1293116"	444.024964	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Cl+CF3COOH"	148.962264
"1375666"	260.050024	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H-2H2O"	-35.012676
"1394256"	278.06	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H-H2O"	-17.0027
"290660"	591.132676	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+H"	1.007276
"681988"	886.195376	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+H"	1.007276
"1358337"	296.069976	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H"	1.007276
"135601"	296.069976	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+2H"	2.014552
"574066"	443.601326	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+2H"	2.014552
"1045055"	148.538626	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2H"	2.014552
"207487"	197.715742666667	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+3H"	3.021828
"647775"	296.069976	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+3H"	3.021828
"1170643"	99.3615093333333	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+3H"	3.021828
"427715"	608.159223	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+NH4"	18.033823
"798198"	903.221923	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+NH4"	18.033823
"1690155"	313.096523	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+NH4"	18.033823
"341710"	304.5832495	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+H+NH4"	19.041099
"730849"	452.1145995	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+H+NH4"	19.041099
"1483577"	157.0518995	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H+NH4"	19.041099
"397884"	613.114618	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+Na"	22.989218
"762158"	908.177318	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+Na"	22.989218
"1609164"	318.051918	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Na"	22.989218
"320295"	307.060947	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+H+Na"	23.996494
"714900"	454.592297	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+H+Na"	23.996494
"1465441"	159.529597	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H+Na"	23.996494
"1058689"	106.688823333333	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2H+Na"	25.00377
"1262555"	328.096186	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+CH3OH+H"	33.033486
"389879"	629.088558	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+K"	38.963158
"751970"	924.151258	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+K"	38.963158
"1553661"	334.025858	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+K"	38.963158
"311929"	315.047917	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+H+K"	39.970434
"706172"	462.579267	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+H+K"	39.970434
"1461088"	167.516567	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H+K"	39.970434
"250051"	632.159226	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+ACN+H"	42.033826
"1223852"	337.096526	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+ACN+H"	42.033826
"1203729"	169.051901	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+ACN+2H"	43.041102
"194412"	635.09656	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+2Na-H"	44.97116
"633976"	930.15926	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+2Na-H"	44.97116
"1140762"	340.03386	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2Na-H"	44.97116
"184051"	318.051918	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+2Na"	45.978436
"618143"	465.583268	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+2Na"	45.978436
"1124929"	170.520568	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2Na"	45.978436
"1405172"	114.016137333333	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H+2Na"	46.985712
"1436194"	342.075446	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H+HCOOH"	47.012746
"223705"	323.08494	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+3H2O+2H"	56.04448
"1513952"	356.12749	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+IsoProp+H"	61.06479
"413642"	326.038888	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+Na+K"	61.952376
"783031"	473.570238	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+Na+K"	61.952376
"1675352"	178.507538	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Na+K"	61.952376
"261870"	654.141168	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+ACN+Na"	64.015768
"1234577"	359.078468	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+ACN+Na"	64.015768
"1722369"	359.101993	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+NH4+HCOOH"	64.039293
"1188820"	121.343451333333	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+3Na"	68.967654
"1658711"	364.057388	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Na+HCOOH"	68.994688
"166670"	667.04444	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+2K-H"	76.91904
"605137"	962.10714	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+2K-H"	76.91904
"1092932"	371.98174	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2K-H"	76.91904
"148655"	334.025858	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"2M+2K"	77.926316
"589308"	481.557208	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"3M+2K"	77.926316
"1079288"	186.494508	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2K"	77.926316
"1104843"	373.996292	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2K+H"	78.933592
"1341227"	374.083907	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+DMSO+H"	79.021207
"1013041"	378.123076	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2ACN+H"	83.060376
"1535539"	379.116708	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+IsoProp+Na+H"	84.054008
"997613"	189.565176	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+2ACN+2H"	84.067652
"1588109"	380.031328	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+K+HCOOH"	84.968628
"1418876"	410.062838	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+H+CF3COOH"	115.000138
"1154635"	210.078451	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+3ACN+2H"	125.094202
"1700904"	427.089385	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+NH4+CF3COOH"	132.026685
"1636554"	432.04478	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+Na+CF3COOH"	136.98208
"1573298"	448.01872	"C13061"	"Acetylsulfamethoxazole"	"C12H13N3O4S"	"295.0627"	"M+K+CF3COOH"	152.95602
"815696"	480.9878	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M"	0
"988135"	461.96941	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-H2O-H"	-19.01839
"67630"	319.651257333333	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M-3H"	-3.021828
"510470"	479.980524	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M-3H"	-3.021828
"889365"	159.321990666667	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-3H"	-3.021828
"10127"	479.980524	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M-2H"	-2.014552
"447500"	720.474424	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M-2H"	-2.014552
"819842"	239.486624	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-2H"	-2.014552
"82020"	960.968324	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M-H"	-1.007276
"520851"	1441.956124	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M-H"	-1.007276
"905945"	479.980524	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-H"	-1.007276
"54852"	977.994871	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M-2H+NH4"	16.019271
"492225"	1458.982671	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M-2H+NH4"	16.019271
"868933"	497.007071	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-2H+NH4"	16.019271
"44489"	982.950266	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M-2H+Na"	20.974666
"481862"	1463.938066	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M-2H+Na"	20.974666
"853102"	501.962466	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-2H+Na"	20.974666
"1623729"	501.962466	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Na-2H"	20.974666
"100257"	497.968863	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M-H+Cl"	33.962126
"540911"	738.462763	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M-H+Cl"	33.962126
"937707"	257.474963	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-H+Cl"	33.962126
"280275"	996.945002	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+Cl"	34.969402
"669416"	1477.932802	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+Cl"	34.969402
"1288437"	515.957202	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Cl"	34.969402
"24740"	998.924206	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M-2H+K"	36.948606
"467592"	1479.912006	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M-2H+K"	36.948606
"846123"	517.936406	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-2H+K"	36.948606
"1568881"	517.936406	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+K-2H"	36.948606
"955670"	525.985994	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-H+HCOOH"	44.998194
"372792"	1006.973801	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+HCOOH-H"	44.998201
"360688"	1020.989451	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+Hac-H"	59.013851
"1505509"	540.001651	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Hac-H"	59.013851
"971956"	547.967951	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-H+NaCOOH"	66.980151
"123422"	515.957202	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+2Cl"	69.938804
"562982"	756.451102	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+2Cl"	69.938804
"1033598"	275.463302	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2Cl"	69.938804
"1254268"	559.906685	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Br"	78.918885
"1317808"	561.962672	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Cl+HCOOH"	80.974872
"1334211"	583.944629	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Cl+NaCOOH"	102.956829
"921987"	593.973386	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M-H+CF3COOH"	112.985586
"1294320"	629.950064	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Cl+CF3COOH"	148.962264
"1375778"	445.975124	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H-2H2O"	-35.012676
"1393275"	463.9851	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H-H2O"	-17.0027
"291867"	962.982876	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+H"	1.007276
"681007"	1443.970676	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+H"	1.007276
"1358447"	481.995076	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H"	1.007276
"133525"	481.995076	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+2H"	2.014552
"570897"	722.488976	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+2H"	2.014552
"1046258"	241.501176	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2H"	2.014552
"211971"	321.665809333333	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+3H"	3.021828
"653717"	481.995076	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+3H"	3.021828
"1171847"	161.336542666667	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+3H"	3.021828
"430741"	980.009423	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+NH4"	18.033823
"792831"	1460.997223	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+NH4"	18.033823
"1691358"	499.021623	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+NH4"	18.033823
"342914"	490.5083495	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+H+NH4"	19.041099
"734241"	731.0022495	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+H+NH4"	19.041099
"1485873"	250.0144495	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H+NH4"	19.041099
"403461"	984.964818	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+Na"	22.989218
"764455"	1465.952618	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+Na"	22.989218
"1612553"	503.977018	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Na"	22.989218
"321495"	492.986047	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+H+Na"	23.996494
"717197"	733.479947	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+H+Na"	23.996494
"1468831"	252.492147	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H+Na"	23.996494
"1056613"	168.663856666667	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2H+Na"	25.00377
"1262663"	514.021286	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+CH3OH+H"	33.033486
"386708"	1000.938758	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+K"	38.963158
"747704"	1481.926558	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+K"	38.963158
"1551942"	519.950958	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+K"	38.963158
"310213"	500.973017	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+H+K"	39.970434
"701541"	741.466917	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+H+K"	39.970434
"1459738"	260.479117	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H+K"	39.970434
"250524"	1004.009426	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+ACN+H"	42.033826
"1222140"	523.021626	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+ACN+H"	42.033826
"1206025"	262.014451	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+ACN+2H"	43.041102
"195617"	1006.94676	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+2Na-H"	44.97116
"636271"	1487.93456	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+2Na-H"	44.97116
"1140872"	525.95896	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2Na-H"	44.97116
"183068"	503.977018	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+2Na"	45.978436
"621533"	744.470918	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+2Na"	45.978436
"1128319"	263.483118	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2Na"	45.978436
"1406375"	175.991170666667	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H+2Na"	46.985712
"1437398"	528.000546	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H+HCOOH"	47.012746
"227095"	509.01004	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+3H2O+2H"	56.04448
"1517343"	542.05259	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+IsoProp+H"	61.06479
"413752"	511.963988	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+Na+K"	61.952376
"784234"	752.457888	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+Na+K"	61.952376
"1676555"	271.470088	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Na+K"	61.952376
"260886"	1025.991368	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+ACN+Na"	64.015768
"1233594"	545.003568	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+ACN+Na"	64.015768
"1721388"	545.027093	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+NH4+HCOOH"	64.039293
"1192088"	183.318484666667	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+3Na"	68.967654
"1658821"	549.982488	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Na+HCOOH"	68.994688
"170059"	1038.89464	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+2K-H"	76.91904
"605248"	1519.88244	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+2K-H"	76.91904
"1090856"	557.90684	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2K-H"	76.91904
"147671"	519.950958	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"2M+2K"	77.926316
"587231"	760.444858	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"3M+2K"	77.926316
"1079398"	279.457058	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2K"	77.926316
"1104953"	559.921392	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2K+H"	78.933592
"1343523"	560.009007	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+DMSO+H"	79.021207
"1010964"	564.048176	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2ACN+H"	83.060376
"1532368"	565.041808	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+IsoProp+Na+H"	84.054008
"996629"	282.527726	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+2ACN+2H"	84.067652
"1588946"	565.956428	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+K+HCOOH"	84.968628
"1416797"	595.987938	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+H+CF3COOH"	115.000138
"1153652"	303.041001	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+3ACN+2H"	125.094202
"1702106"	613.014485	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+NH4+CF3COOH"	132.026685
"1636664"	617.96988	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+Na+CF3COOH"	136.98208
"1571584"	633.94382	"C13072"	"Sodium picosulfate"	"C18H13NO8S22Na"	"480.9878"	"M+K+CF3COOH"	152.95602
"804871"	384.2301	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M"	0
"978406"	365.21171	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-H2O-H"	-19.01839
"65917"	255.146124	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M-3H"	-3.021828
"511674"	383.222824	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M-3H"	-3.021828
"886197"	127.069424	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-3H"	-3.021828
"6957"	383.222824	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H"	-2.014552
"450900"	575.337874	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H"	-2.014552
"819952"	191.107774	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-2H"	-2.014552
"82130"	767.452924	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M-H"	-1.007276
"527159"	1151.683024	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M-H"	-1.007276
"904962"	383.222824	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-H"	-1.007276
"54962"	784.479471	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H+NH4"	16.019271
"494522"	1168.709571	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H+NH4"	16.019271
"876699"	400.249371	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-2H+NH4"	16.019271
"43506"	789.434866	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H+Na"	20.974666
"480879"	1173.664966	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H+Na"	20.974666
"854306"	405.204766	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-2H+Na"	20.974666
"1621651"	405.204766	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Na-2H"	20.974666
"100367"	401.211163	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M-H+Cl"	33.962126
"542114"	593.326213	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M-H+Cl"	33.962126
"932715"	209.096113	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-H+Cl"	33.962126
"280750"	803.429602	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+Cl"	34.969402
"674032"	1187.659702	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+Cl"	34.969402
"1285578"	419.199502	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl"	34.969402
"28141"	805.408806	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H+K"	36.948606
"468796"	1189.638906	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H+K"	36.948606
"845504"	421.178706	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-2H+K"	36.948606
"1567898"	421.178706	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+K-2H"	36.948606
"955419"	429.228294	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-H+HCOOH"	44.998194
"374728"	813.458401	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+HCOOH-H"	44.998201
"358977"	827.474051	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+Hac-H"	59.013851
"1505624"	443.243951	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Hac-H"	59.013851
"971342"	451.210251	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-H+NaCOOH"	66.980151
"124259"	419.199502	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+2Cl"	69.938804
"562721"	611.314552	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+2Cl"	69.938804
"1032614"	227.084452	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2Cl"	69.938804
"1253284"	463.148985	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Br"	78.918885
"1316825"	465.204972	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl+HCOOH"	80.974872
"1326667"	487.186929	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl+NaCOOH"	102.956829
"915902"	497.215686	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M-H+CF3COOH"	112.985586
"1298820"	533.192364	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl+CF3COOH"	148.962264
"1373702"	349.217424	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H-2H2O"	-35.012676
"1392291"	367.2274	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H-H2O"	-17.0027
"289786"	769.467476	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+H"	1.007276
"685124"	1153.697576	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+H"	1.007276
"1357465"	385.237376	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H"	1.007276
"130353"	385.237376	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+2H"	2.014552
"573201"	577.352426	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+2H"	2.014552
"1044185"	193.122326	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2H"	2.014552
"212085"	257.160676	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+3H"	3.021828
"648365"	385.237376	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+3H"	3.021828
"1168672"	129.083976	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+3H"	3.021828
"433044"	786.494023	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+NH4"	18.033823
"795135"	1170.724123	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+NH4"	18.033823
"1691465"	402.263923	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+NH4"	18.033823
"340837"	393.7506495	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+H+NH4"	19.041099
"732164"	585.8656995	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+H+NH4"	19.041099
"1481614"	201.6355995	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H+NH4"	19.041099
"400292"	791.449418	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+Na"	22.989218
"763473"	1175.679518	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+Na"	22.989218
"1609383"	407.219318	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Na"	22.989218
"323794"	396.228347	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+H+Na"	23.996494
"714029"	588.343397	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+H+Na"	23.996494
"1467851"	204.113297	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H+Na"	23.996494
"1056722"	136.41129	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2H+Na"	25.00377
"1261681"	417.263586	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+CH3OH+H"	33.033486
"387911"	807.423358	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+K"	38.963158
"749998"	1191.653458	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+K"	38.963158
"1549867"	423.193258	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+K"	38.963158
"310321"	404.215317	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+H+K"	39.970434
"704929"	596.330367	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+H+K"	39.970434
"1456564"	212.100267	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H+K"	39.970434
"248449"	810.494026	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+ACN+H"	42.033826
"1221159"	426.263926	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+ACN+H"	42.033826
"1200668"	213.635601	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+ACN+2H"	43.041102
"195726"	813.43136	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+2Na-H"	44.97116
"633101"	1197.66146	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+2Na-H"	44.97116
"1133691"	429.20126	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2Na-H"	44.97116
"178802"	407.219318	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+2Na"	45.978436
"616172"	599.334368	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+2Na"	45.978436
"1121868"	215.104268	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2Na"	45.978436
"1404298"	143.738604	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H+2Na"	46.985712
"1433498"	431.242846	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H+HCOOH"	47.012746
"227202"	412.25234	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+3H2O+2H"	56.04448
"1514179"	445.29489	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+IsoProp+H"	61.06479
"414960"	415.206288	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+Na+K"	61.952376
"777047"	607.321338	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+Na+K"	61.952376
"1672290"	223.091238	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Na+K"	61.952376
"260993"	832.475968	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+ACN+Na"	64.015768
"1233703"	448.245868	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+ACN+Na"	64.015768
"1721496"	448.269393	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+NH4+HCOOH"	64.039293
"1190134"	151.065918	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+3Na"	68.967654
"1660029"	453.224788	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Na+HCOOH"	68.994688
"165796"	845.37924	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+2K-H"	76.91904
"607548"	1229.60934	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+2K-H"	76.91904
"1094248"	461.14914	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2K-H"	76.91904
"147780"	423.193258	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"2M+2K"	77.926316
"585154"	615.308308	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"3M+2K"	77.926316
"1074039"	231.078208	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2K"	77.926316
"1106157"	463.163692	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2K+H"	78.933592
"1341812"	463.251307	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+DMSO+H"	79.021207
"1012166"	467.290476	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2ACN+H"	83.060376
"1531384"	468.284108	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+IsoProp+Na+H"	84.054008
"993823"	234.148876	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+2ACN+2H"	84.067652
"1593436"	469.198728	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+K+HCOOH"	84.968628
"1416182"	499.230238	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+H+CF3COOH"	115.000138
"1151571"	254.662151	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+3ACN+2H"	125.094202
"1702216"	516.256785	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+NH4+CF3COOH"	132.026685
"1643338"	521.21218	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+Na+CF3COOH"	136.98208
"1573520"	537.18612	"C13077"	"Estradiol dipropionate"	"C24H32O4"	"384.2301"	"M+K+CF3COOH"	152.95602
"811542"	216.0246	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M"	0
"981796"	197.00621	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-H2O-H"	-19.01839
"64570"	143.009124	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M-3H"	-3.021828
"510691"	215.017324	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M-3H"	-3.021828
"885214"	71.000924	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-3H"	-3.021828
"5974"	215.017324	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M-2H"	-2.014552
"448823"	323.029624	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M-2H"	-2.014552
"818239"	107.005024	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-2H"	-2.014552
"80052"	431.041924	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M-H"	-1.007276
"526176"	647.066524	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M-H"	-1.007276
"898510"	215.017324	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-H"	-1.007276
"51792"	448.068471	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M-2H+NH4"	16.019271
"489529"	664.093071	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M-2H+NH4"	16.019271
"876809"	232.043871	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-2H+NH4"	16.019271
"42523"	453.023866	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M-2H+Na"	20.974666
"477709"	669.048466	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M-2H+Na"	20.974666
"853322"	236.999266	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-2H+Na"	20.974666
"1620669"	236.999266	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Na-2H"	20.974666
"97198"	233.005663	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M-H+Cl"	33.962126
"537851"	341.017963	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M-H+Cl"	33.962126
"935741"	124.993363	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-H+Cl"	33.962126
"279766"	467.018602	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+Cl"	34.969402
"673290"	683.043202	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+Cl"	34.969402
"1288037"	250.994002	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Cl"	34.969402
"27158"	468.997806	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M-2H+K"	36.948606
"466720"	685.022406	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M-2H+K"	36.948606
"845614"	252.973206	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-2H+K"	36.948606
"1567644"	252.973206	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+K-2H"	36.948606
"952612"	261.022794	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-H+HCOOH"	44.998194
"371919"	477.047401	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+HCOOH-H"	44.998201
"357995"	491.063051	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+Hac-H"	59.013851
"1506823"	275.038451	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Hac-H"	59.013851
"972177"	283.004751	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-H+NaCOOH"	66.980151
"124001"	250.994002	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+2Cl"	69.938804
"560644"	359.006302	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+2Cl"	69.938804
"1031630"	142.981702	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2Cl"	69.938804
"1249385"	294.943485	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Br"	78.918885
"1315842"	296.999472	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Cl+HCOOH"	80.974872
"1330056"	318.981429	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Cl+NaCOOH"	102.956829
"916012"	329.010186	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M-H+CF3COOH"	112.985586
"1300024"	364.986864	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Cl+CF3COOH"	148.962264
"1374905"	181.011924	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H-2H2O"	-35.012676
"1393859"	199.0219	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H-H2O"	-17.0027
"289896"	433.056476	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+H"	1.007276
"681224"	649.081076	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+H"	1.007276
"1357575"	217.031876	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H"	1.007276
"128275"	217.031876	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+2H"	2.014552
"576225"	325.044176	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+2H"	2.014552
"1044295"	109.019576	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2H"	2.014552
"210008"	145.023676	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+3H"	3.021828
"649566"	217.031876	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+3H"	3.021828
"1166596"	73.015476	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+3H"	3.021828
"433154"	450.083023	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+NH4"	18.033823
"797433"	666.107623	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+NH4"	18.033823
"1693762"	234.058423	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+NH4"	18.033823
"340947"	225.5451495	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+H+NH4"	19.041099
"732272"	333.5574495	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+H+NH4"	19.041099
"1483908"	117.5328495	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H+NH4"	19.041099
"399308"	455.038418	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+Na"	22.989218
"762489"	671.063018	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+Na"	22.989218
"1609494"	239.013818	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Na"	22.989218
"322812"	228.022847	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+H+Na"	23.996494
"714138"	336.035147	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+H+Na"	23.996494
"1467961"	120.010547	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H+Na"	23.996494
"1062300"	80.34279	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2H+Na"	25.00377
"1267259"	249.058086	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+CH3OH+H"	33.033486
"391301"	471.012358	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+K"	38.963158
"752296"	687.036958	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+K"	38.963158
"1553984"	254.987758	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+K"	38.963158
"311160"	236.009817	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+H+K"	39.970434
"703582"	344.022117	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+H+K"	39.970434
"1457039"	127.997517	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H+K"	39.970434
"247465"	474.083026	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+ACN+H"	42.033826
"1221268"	258.058426	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+ACN+H"	42.033826
"1198591"	129.532851	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+ACN+2H"	43.041102
"191465"	477.02036	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+2Na-H"	44.97116
"633211"	693.04496	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+2Na-H"	44.97116
"1136718"	260.99576	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2Na-H"	44.97116
"177820"	239.013818	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+2Na"	45.978436
"618473"	347.026118	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+2Na"	45.978436
"1119792"	131.001518	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2Na"	45.978436
"1403315"	87.670104	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H+2Na"	46.985712
"1434336"	263.037346	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H+HCOOH"	47.012746
"225125"	244.04684	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+3H2O+2H"	56.04448
"1509547"	277.08939	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+IsoProp+H"	61.06479
"412883"	247.000788	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+Na+K"	61.952376
"774974"	355.013088	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+Na+K"	61.952376
"1672400"	138.988488	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Na+K"	61.952376
"257824"	496.064968	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+ACN+Na"	64.015768
"1232720"	280.040368	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+ACN+Na"	64.015768
"1722699"	280.063893	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+NH4+HCOOH"	64.039293
"1189150"	94.997418	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+3Na"	68.967654
"1663418"	285.019288	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Na+HCOOH"	68.994688
"163720"	508.96824	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+2K-H"	76.91904
"607658"	724.99284	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+2K-H"	76.91904
"1094358"	292.94364	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2K-H"	76.91904
"146797"	254.987758	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"2M+2K"	77.926316
"586357"	363.000058	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"3M+2K"	77.926316
"1076336"	146.975458	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2K"	77.926316
"1106267"	294.958192	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2K+H"	78.933592
"1343745"	295.045807	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+DMSO+H"	79.021207
"1013369"	299.084976	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2ACN+H"	83.060376
"1532589"	300.078608	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+IsoProp+Na+H"	84.054008
"992476"	150.046126	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+2ACN+2H"	84.067652
"1592453"	300.993228	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+K+HCOOH"	84.968628
"1417385"	331.024738	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+H+CF3COOH"	115.000138
"1150588"	170.559401	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+3ACN+2H"	125.094202
"1702327"	348.051285	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+NH4+CF3COOH"	132.026685
"1643448"	353.00668	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+Na+CF3COOH"	136.98208
"1574723"	368.98062	"C13085"	"Sodium glucuronate"	"C6H9O7Na"	"216.0246"	"M+K+CF3COOH"	152.95602
"811652"	341.885	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M"	0
"978626"	322.86661	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-H2O-H"	-19.01839
"66867"	226.916057333333	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M-3H"	-3.021828
"514082"	340.877724	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M-3H"	-3.021828
"885324"	112.954390666667	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-3H"	-3.021828
"2804"	340.877724	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M-2H"	-2.014552
"447840"	511.820224	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M-2H"	-2.014552
"817985"	169.935224	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-2H"	-2.014552
"79190"	682.762724	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M-H"	-1.007276
"526286"	1024.647724	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M-H"	-1.007276
"898620"	340.877724	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-H"	-1.007276
"51902"	699.789271	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M-2H+NH4"	16.019271
"489639"	1041.674271	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M-2H+NH4"	16.019271
"876798"	357.904271	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-2H+NH4"	16.019271
"42633"	704.744666	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M-2H+Na"	20.974666
"481099"	1046.629666	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M-2H+Na"	20.974666
"852339"	362.859666	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-2H+Na"	20.974666
"1624059"	362.859666	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Na-2H"	20.974666
"97308"	358.866063	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M-H+Cl"	33.962126
"537961"	529.808563	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M-H+Cl"	33.962126
"934758"	187.923563	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-H+Cl"	33.962126
"276596"	718.739402	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+Cl"	34.969402
"673762"	1060.624402	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+Cl"	34.969402
"1286769"	376.854402	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Cl"	34.969402
"25081"	720.718606	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M-2H+K"	36.948606
"467923"	1062.603606	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M-2H+K"	36.948606
"845723"	378.833606	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-2H+K"	36.948606
"1567025"	378.833606	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+K-2H"	36.948606
"952722"	386.883194	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-H+HCOOH"	44.998194
"370936"	728.768201	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+HCOOH-H"	44.998201
"359559"	742.783851	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+Hac-H"	59.013851
"1505476"	400.898851	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Hac-H"	59.013851
"971194"	408.865151	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-H+NaCOOH"	66.980151
"121928"	376.854402	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+2Cl"	69.938804
"562581"	547.796902	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+2Cl"	69.938804
"1032834"	205.911902	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2Cl"	69.938804
"1249131"	420.803885	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Br"	78.918885
"1313765"	422.859872	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Cl+HCOOH"	80.974872
"1326886"	444.841829	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Cl+NaCOOH"	102.956829
"915756"	454.870586	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M-H+CF3COOH"	112.985586
"1301221"	490.847264	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Cl+CF3COOH"	148.962264
"1379382"	306.872324	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H-2H2O"	-35.012676
"1393601"	324.8823	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H-H2O"	-17.0027
"288913"	684.777276	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+H"	1.007276
"681335"	1026.662276	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+H"	1.007276
"1356592"	342.892276	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H"	1.007276
"128386"	342.892276	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+2H"	2.014552
"575606"	513.834776	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+2H"	2.014552
"1044405"	171.949776	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2H"	2.014552
"213399"	228.930609333333	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+3H"	3.021828
"651863"	342.892276	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+3H"	3.021828
"1168893"	114.968942666667	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+3H"	3.021828
"433264"	701.803823	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+NH4"	18.033823
"800096"	1043.688823	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+NH4"	18.033823
"1694240"	359.918823	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+NH4"	18.033823
"342881"	351.4055495	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+H+NH4"	19.041099
"733479"	522.3480495	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+H+NH4"	19.041099
"1485113"	180.4630495	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H+NH4"	19.041099
"401603"	706.759218	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+Na"	22.989218
"765879"	1048.644218	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+Na"	22.989218
"1611791"	364.874218	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Na"	22.989218
"324016"	353.883247	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+H+Na"	23.996494
"715342"	524.825747	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+H+Na"	23.996494
"1466978"	182.940747	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H+Na"	23.996494
"1063504"	122.296256666667	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2H+Na"	25.00377
"1267369"	374.918486	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+CH3OH+H"	33.033486
"390318"	722.733158	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+K"	38.963158
"752042"	1064.618158	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+K"	38.963158
"1553366"	380.848158	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+K"	38.963158
"312000"	361.870217	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+H+K"	39.970434
"705515"	532.812717	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+H+K"	39.970434
"1458243"	190.927717	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H+K"	39.970434
"248305"	725.803826	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+ACN+H"	42.033826
"1221380"	383.918826	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+ACN+H"	42.033826
"1205262"	192.463051	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+ACN+2H"	43.041102
"194852"	728.74116	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+2Na-H"	44.97116
"632226"	1070.62616	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+2Na-H"	44.97116
"1136098"	386.85616	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2Na-H"	44.97116
"177930"	364.874218	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+2Na"	45.978436
"618583"	535.816718	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+2Na"	45.978436
"1119902"	193.931718	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2Na"	45.978436
"1402330"	129.623570666667	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H+2Na"	46.985712
"1432260"	388.897746	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H+HCOOH"	47.012746
"223049"	369.90724	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+3H2O+2H"	56.04448
"1510021"	402.94979	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+IsoProp+H"	61.06479
"410068"	372.861188	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+Na+K"	61.952376
"772887"	543.803688	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+Na+K"	61.952376
"1672505"	201.918688	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Na+K"	61.952376
"257933"	747.785768	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+ACN+Na"	64.015768
"1229180"	405.900768	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+ACN+Na"	64.015768
"1716245"	405.924293	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+NH4+HCOOH"	64.039293
"1182696"	136.950884666667	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+3Na"	68.967654
"1656600"	410.879688	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Na+HCOOH"	68.994688
"163462"	760.68904	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+2K-H"	76.91904
"607768"	1102.57404	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+2K-H"	76.91904
"1093374"	418.80404	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2K-H"	76.91904
"145816"	380.848158	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"2M+2K"	77.926316
"585377"	551.790658	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"3M+2K"	77.926316
"1075356"	209.905658	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2K"	77.926316
"1104190"	420.818592	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2K+H"	78.933592
"1343857"	420.906207	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+DMSO+H"	79.021207
"1013481"	424.945376	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2ACN+H"	83.060376
"1530511"	425.939008	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+IsoProp+Na+H"	84.054008
"993681"	212.976326	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+2ACN+2H"	84.067652
"1592563"	426.853628	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+K+HCOOH"	84.968628
"1418224"	456.885138	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+H+CF3COOH"	115.000138
"1150700"	233.489601	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+3ACN+2H"	125.094202
"1703531"	473.911685	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+NH4+CF3COOH"	132.026685
"1636998"	478.86708	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+Na+CF3COOH"	136.98208
"1574833"	494.84102	"C13086"	"Propagermanium;Proxigermanium"	"C6H10Ge2O7"	"341.885"	"M+K+CF3COOH"	152.95602
"811762"	547.0962	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M"	0
"978736"	528.07781	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-H2O-H"	-19.01839
"68071"	363.723524	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M-3H"	-3.021828
"510912"	546.088924	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M-3H"	-3.021828
"885435"	181.358124	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-3H"	-3.021828
"11663"	546.088924	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M-2H"	-2.014552
"446856"	819.637024	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M-2H"	-2.014552
"818094"	272.540824	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-2H"	-2.014552
"79542"	1093.185124	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M-H"	-1.007276
"522023"	1640.281324	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M-H"	-1.007276
"896908"	546.088924	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-H"	-1.007276
"52012"	1110.211671	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M-2H+NH4"	16.019271
"488047"	1657.307871	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M-2H+NH4"	16.019271
"871562"	563.115471	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-2H+NH4"	16.019271
"40556"	1115.167066	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M-2H+Na"	20.974666
"479021"	1662.263266	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M-2H+Na"	20.974666
"853543"	568.070866	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-2H+Na"	20.974666
"1627450"	568.070866	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Na-2H"	20.974666
"98510"	564.077263	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M-H+Cl"	33.962126
"538070"	837.625363	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M-H+Cl"	33.962126
"931587"	290.529163	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-H+Cl"	33.962126
"273424"	1129.161802	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+Cl"	34.969402
"672409"	1676.258002	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+Cl"	34.969402
"1279344"	582.065602	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Cl"	34.969402
"24098"	1131.141006	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M-2H+K"	36.948606
"467670"	1678.237206	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M-2H+K"	36.948606
"843647"	584.044806	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-2H+K"	36.948606
"1566042"	584.044806	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+K-2H"	36.948606
"953925"	592.094394	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-H+HCOOH"	44.998194
"368130"	1139.190601	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+HCOOH-H"	44.998201
"358210"	1153.206251	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+Hac-H"	59.013851
"1502669"	606.110051	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Hac-H"	59.013851
"969116"	614.076351	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-H+NaCOOH"	66.980151
"120945"	582.065602	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+2Cl"	69.938804
"561234"	855.613702	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+2Cl"	69.938804
"1032945"	308.517502	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2Cl"	69.938804
"1249605"	626.015085	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Br"	78.918885
"1313875"	628.071072	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Cl+HCOOH"	80.974872
"1326996"	650.053029	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Cl+NaCOOH"	102.956829
"915866"	660.081786	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M-H+CF3COOH"	112.985586
"1299144"	696.058464	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Cl+CF3COOH"	148.962264
"1376212"	512.083524	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H-2H2O"	-35.012676
"1392253"	530.0935	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H-H2O"	-17.0027
"290117"	1095.199676	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+H"	1.007276
"682539"	1642.295876	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+H"	1.007276
"1357797"	548.103476	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H"	1.007276
"129590"	548.103476	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+2H"	2.014552
"575716"	821.651576	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+2H"	2.014552
"1044515"	274.555376	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2H"	2.014552
"212416"	365.738076	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+3H"	3.021828
"653066"	548.103476	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+3H"	3.021828
"1169003"	183.372676	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+3H"	3.021828
"433374"	1112.226223	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+NH4"	18.033823
"799114"	1659.322423	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+NH4"	18.033823
"1694717"	565.130023	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+NH4"	18.033823
"341169"	556.6167495	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+H+NH4"	19.041099
"733590"	830.1648495	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+H+NH4"	19.041099
"1487409"	283.0686495	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H+NH4"	19.041099
"406697"	1117.181618	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+Na"	22.989218
"762708"	1664.277818	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+Na"	22.989218
"1611899"	570.085418	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Na"	22.989218
"323031"	559.094447	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+H+Na"	23.996494
"716909"	832.642547	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+H+Na"	23.996494
"1467088"	285.546347	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H+Na"	23.996494
"1061426"	190.69999	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2H+Na"	25.00377
"1266385"	580.129686	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+CH3OH+H"	33.033486
"389335"	1133.155558	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+K"	38.963158
"752881"	1680.251758	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+K"	38.963158
"1553111"	586.059358	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+K"	38.963158
"313568"	567.081417	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+H+K"	39.970434
"704166"	840.629517	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+H+K"	39.970434
"1457621"	293.533317	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H+K"	39.970434
"246593"	1136.226226	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+ACN+H"	42.033826
"1220397"	589.130026	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+ACN+H"	42.033826
"1207558"	295.068651	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+ACN+2H"	43.041102
"191683"	1139.16356	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+2Na-H"	44.97116
"633430"	1686.25976	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+2Na-H"	44.97116
"1136207"	592.06736	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2Na-H"	44.97116
"180227"	570.085418	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+2Na"	45.978436
"617963"	843.633518	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+2Na"	45.978436
"1120377"	296.537318	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2Na"	45.978436
"1403900"	198.027304	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H+2Na"	46.985712
"1433828"	594.108946	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H+HCOOH"	47.012746
"223158"	575.11844	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+3H2O+2H"	56.04448
"1512314"	608.16099	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+IsoProp+H"	61.06479
"415279"	578.072388	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+Na+K"	61.952376
"772628"	851.620488	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+Na+K"	61.952376
"1671154"	304.524288	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Na+K"	61.952376
"255856"	1158.208168	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+ACN+Na"	64.015768
"1228196"	611.111968	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+ACN+Na"	64.015768
"1715018"	611.135493	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+NH4+HCOOH"	64.039293
"1184992"	205.354618	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+3Na"	68.967654
"1657439"	616.090888	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Na+HCOOH"	68.994688
"165029"	1171.11144	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+2K-H"	76.91904
"610066"	1718.20764	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+2K-H"	76.91904
"1094578"	624.01524	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2K-H"	76.91904
"145927"	586.059358	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"2M+2K"	77.926316
"585487"	859.607458	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"3M+2K"	77.926316
"1073280"	312.511258	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2K"	77.926316
"1104301"	626.029792	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2K+H"	78.933592
"1342874"	626.117407	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+DMSO+H"	79.021207
"1012498"	630.156576	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2ACN+H"	83.060376
"1531714"	631.150208	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+IsoProp+Na+H"	84.054008
"993792"	315.581926	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+2ACN+2H"	84.067652
"1593769"	632.064828	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+K+HCOOH"	84.968628
"1417242"	662.096338	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+H+CF3COOH"	115.000138
"1150810"	336.095201	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+3ACN+2H"	125.094202
"1702548"	679.122885	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+NH4+CF3COOH"	132.026685
"1640388"	684.07828	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+Na+CF3COOH"	136.98208
"1574943"	700.05222	"C13089"	"Cefetamet pivoxil hydrochloride"	"C20H25N5O7S2HCl"	"547.0962"	"M+K+CF3COOH"	152.95602
"814790"	270.162	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M"	0
"985043"	251.14361	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-H2O-H"	-19.01839
"68181"	179.100724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M-3H"	-3.021828
"514302"	269.154724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M-3H"	-3.021828
"892105"	89.046724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-3H"	-3.021828
"12866"	269.154724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M-2H"	-2.014552
"452433"	404.235724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M-2H"	-2.014552
"821485"	134.073724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-2H"	-2.014552
"82571"	539.316724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M-H"	-1.007276
"525413"	809.478724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M-H"	-1.007276
"906495"	269.154724	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-H"	-1.007276
"58682"	556.343271	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M-2H+NH4"	16.019271
"496055"	826.505271	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M-2H+NH4"	16.019271
"870578"	286.181271	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-2H+NH4"	16.019271
"40665"	561.298666	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M-2H+Na"	20.974666
"479131"	831.460666	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M-2H+Na"	20.974666
"853653"	291.136666	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-2H+Na"	20.974666
"1619661"	291.136666	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Na-2H"	20.974666
"95824"	287.143063	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M-H+Cl"	33.962126
"536356"	422.224063	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M-H+Cl"	33.962126
"929510"	152.062063	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-H+Cl"	33.962126
"272441"	575.293402	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+Cl"	34.969402
"668144"	845.455402	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+Cl"	34.969402
"1279454"	305.131402	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Cl"	34.969402
"24572"	577.272606	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M-2H+K"	36.948606
"468508"	847.434606	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M-2H+K"	36.948606
"845945"	307.110606	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-2H+K"	36.948606
"1566152"	307.110606	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+K-2H"	36.948606
"951849"	315.160194	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-H+HCOOH"	44.998194
"370427"	585.322201	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+HCOOH-H"	44.998201
"356134"	599.337851	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+Hac-H"	59.013851
"1501687"	329.175851	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Hac-H"	59.013851
"970321"	337.142151	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-H+NaCOOH"	66.980151
"120690"	305.131402	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+2Cl"	69.938804
"560980"	440.212402	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+2Cl"	69.938804
"1030870"	170.050402	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2Cl"	69.938804
"1250446"	349.080885	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Br"	78.918885
"1315079"	351.136872	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Cl+HCOOH"	80.974872
"1326013"	373.118829	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Cl+NaCOOH"	102.956829
"917069"	383.147586	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M-H+CF3COOH"	112.985586
"1296340"	419.124264	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Cl+CF3COOH"	148.962264
"1374135"	235.149324	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H-2H2O"	-35.012676
"1389445"	253.1593	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H-H2O"	-17.0027
"289501"	541.331276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+H"	1.007276
"680828"	811.493276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+H"	1.007276
"1362284"	271.169276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H"	1.007276
"132984"	271.169276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+2H"	2.014552
"578014"	406.250276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+2H"	2.014552
"1046812"	136.088276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2H"	2.014552
"213619"	181.115276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+3H"	3.021828
"653176"	271.169276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+3H"	3.021828
"1166927"	91.061276	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+3H"	3.021828
"433120"	558.357823	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+NH4"	18.033823
"801261"	828.519823	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+NH4"	18.033823
"1696656"	288.195823	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+NH4"	18.033823
"343832"	279.6825495	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+H+NH4"	19.041099
"736617"	414.7635495	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+H+NH4"	19.041099
"1490800"	144.6015495	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H+NH4"	19.041099
"405106"	563.313218	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+Na"	22.989218
"767923"	833.475218	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+Na"	22.989218
"1615291"	293.151218	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Na"	22.989218
"327516"	282.160247	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+H+Na"	23.996494
"717750"	417.241247	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+H+Na"	23.996494
"1469386"	147.079247	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H+Na"	23.996494
"1061536"	98.38859	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2H+Na"	25.00377
"1266495"	303.195486	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+CH3OH+H"	33.033486
"389445"	579.287158	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+K"	38.963158
"751898"	849.449158	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+K"	38.963158
"1547023"	309.125158	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+K"	38.963158
"307479"	290.147217	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+H+K"	39.970434
"700996"	425.228217	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+H+K"	39.970434
"1455907"	155.066217	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H+K"	39.970434
"248889"	582.357826	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+ACN+H"	42.033826
"1224152"	312.195826	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+ACN+H"	42.033826
"1206575"	156.601551	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+ACN+2H"	43.041102
"193251"	585.29516	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+2Na-H"	44.97116
"632081"	855.45716	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+2Na-H"	44.97116
"1134858"	315.13316	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2Na-H"	44.97116
"181430"	293.151218	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+2Na"	45.978436
"618804"	428.232218	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+2Na"	45.978436
"1122310"	158.070218	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2Na"	45.978436
"1405833"	105.715904	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H+2Na"	46.985712
"1432845"	317.174746	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H+HCOOH"	47.012746
"221447"	298.18424	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+3H2O+2H"	56.04448
"1511696"	331.22679	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+IsoProp+H"	61.06479
"414296"	301.138188	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+Na+K"	61.952376
"771281"	436.219188	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+Na+K"	61.952376
"1667984"	166.057188	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Na+K"	61.952376
"254873"	604.339768	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+ACN+Na"	64.015768
"1227577"	334.177768	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+ACN+Na"	64.015768
"1715736"	334.201293	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+NH4+HCOOH"	64.039293
"1181823"	113.043218	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+3Na"	68.967654
"1655362"	339.156688	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Na+HCOOH"	68.994688
"161131"	617.24304	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+2K-H"	76.91904
"606896"	887.40504	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+2K-H"	76.91904
"1088126"	347.08104	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2K-H"	76.91904
"146034"	309.125158	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"2M+2K"	77.926316
"587784"	444.206158	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"3M+2K"	77.926316
"1073390"	174.044158	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2K"	77.926316
"1103682"	349.095592	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2K+H"	78.933592
"1342984"	349.183207	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+DMSO+H"	79.021207
"1012608"	353.222376	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2ACN+H"	83.060376
"1531825"	354.216008	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+IsoProp+Na+H"	84.054008
"994996"	177.114826	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+2ACN+2H"	84.067652
"1592787"	355.130628	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+K+HCOOH"	84.968628
"1418448"	385.162138	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+H+CF3COOH"	115.000138
"1152015"	197.628101	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+3ACN+2H"	125.094202
"1710313"	402.188685	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+NH4+CF3COOH"	132.026685
"1640498"	407.14408	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+Na+CF3COOH"	136.98208
"1576148"	423.11802	"C13101"	"Hexestrol;Exestrol"	"C18H22O2"	"270.162"	"M+K+CF3COOH"	152.95602
"802141"	396.9595	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M"	0
"975676"	377.94111	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-H2O-H"	-19.01839
"64037"	263.632390666667	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M-3H"	-3.021828
"508945"	395.952224	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M-3H"	-3.021828
"885654"	131.312557333333	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-3H"	-3.021828
"9696"	395.952224	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M-2H"	-2.014552
"447076"	594.431974	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M-2H"	-2.014552
"820501"	197.472474	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-2H"	-2.014552
"80126"	792.911724	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M-H"	-1.007276
"522243"	1189.871224	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M-H"	-1.007276
"897006"	395.952224	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-H"	-1.007276
"48951"	809.938271	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M-2H+NH4"	16.019271
"489604"	1206.897771	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M-2H+NH4"	16.019271
"870685"	412.978771	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-2H+NH4"	16.019271
"33846"	814.893666	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M-2H+Na"	20.974666
"479241"	1211.853166	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M-2H+Na"	20.974666
"853763"	417.934166	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-2H+Na"	20.974666
"1619404"	417.934166	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Na-2H"	20.974666
"94964"	413.940563	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M-H+Cl"	33.962126
"536100"	612.420313	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M-H+Cl"	33.962126
"928526"	215.460813	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-H+Cl"	33.962126
"272551"	828.888402	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+Cl"	34.969402
"668254"	1225.847902	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+Cl"	34.969402
"1279564"	431.928902	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Cl"	34.969402
"27233"	830.867606	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M-2H+K"	36.948606
"470321"	1227.827106	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M-2H+K"	36.948606
"847878"	433.908106	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-2H+K"	36.948606
"1568085"	433.908106	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+K-2H"	36.948606
"957061"	441.957694	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-H+HCOOH"	44.998194
"375276"	838.917201	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+HCOOH-H"	44.998201
"358796"	852.932851	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+Hac-H"	59.013851
"1506171"	455.973351	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Hac-H"	59.013851
"970431"	463.939651	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-H+NaCOOH"	66.980151
"122622"	431.928902	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+2Cl"	69.938804
"563273"	630.408652	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+2Cl"	69.938804
"1031344"	233.449152	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2Cl"	69.938804
"1251285"	475.878385	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Br"	78.918885
"1315189"	477.934372	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Cl+HCOOH"	80.974872
"1326123"	499.916329	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Cl+NaCOOH"	102.956829
"916814"	509.945086	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M-H+CF3COOH"	112.985586
"1300459"	545.921764	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Cl+CF3COOH"	148.962264
"1377161"	361.946824	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H-2H2O"	-35.012676
"1387368"	379.9568	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H-H2O"	-17.0027
"287057"	794.926276	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+H"	1.007276
"677291"	1191.885776	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+H"	1.007276
"1352908"	397.966776	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H"	1.007276
"131997"	397.966776	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+2H"	2.014552
"570464"	596.446526	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+2H"	2.014552
"1041452"	199.487026	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2H"	2.014552
"209351"	265.646942666667	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+3H"	3.021828
"646722"	397.966776	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+3H"	3.021828
"1164849"	133.327109333333	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+3H"	3.021828
"435780"	811.952823	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+NH4"	18.033823
"801285"	1208.912323	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+NH4"	18.033823
"1696277"	414.993323	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+NH4"	18.033823
"343944"	406.4800495	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+H+NH4"	19.041099
"736728"	604.9597995	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+H+NH4"	19.041099
"1490548"	208.0002995	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H+NH4"	19.041099
"406311"	816.908218	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+Na"	22.989218
"767305"	1213.867718	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+Na"	22.989218
"1617225"	419.948718	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Na"	22.989218
"329916"	408.957747	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+H+Na"	23.996494
"720048"	607.437497	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+H+Na"	23.996494
"1471683"	210.477997	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H+Na"	23.996494
"1063833"	140.654423333333	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2H+Na"	25.00377
"1267699"	429.992986	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+CH3OH+H"	33.033486
"391014"	832.882158	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+K"	38.963158
"752373"	1229.841658	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+K"	38.963158
"1552237"	435.922658	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+K"	38.963158
"310873"	416.944717	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+H+K"	39.970434
"702930"	615.424467	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+H+K"	39.970434
"1456748"	218.464967	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H+K"	39.970434
"249728"	835.952826	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+ACN+H"	42.033826
"1225113"	438.993326	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+ACN+H"	42.033826
"1205227"	220.000301	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+ACN+2H"	43.041102
"194091"	838.89016	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+2Na-H"	44.97116
"630735"	1235.84966	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+2Na-H"	44.97116
"1136064"	441.93066	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2Na-H"	44.97116
"178260"	419.948718	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+2Na"	45.978436
"618914"	618.428468	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+2Na"	45.978436
"1120233"	221.468968	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2Na"	45.978436
"1408130"	147.981737333333	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H+2Na"	46.985712
"1432224"	443.972246	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H+HCOOH"	47.012746
"223379"	424.98174	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+3H2O+2H"	56.04448
"1511805"	458.02429	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+IsoProp+H"	61.06479
"414407"	427.935688	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+Na+K"	61.952376
"771756"	626.415438	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+Na+K"	61.952376
"1667730"	229.455938	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Na+K"	61.952376
"253886"	857.934768	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+ACN+Na"	64.015768
"1226592"	460.975268	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+ACN+Na"	64.015768
"1714752"	460.998793	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+NH4+HCOOH"	64.039293
"1181568"	155.309051333333	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+3Na"	68.967654
"1654376"	465.954188	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Na+HCOOH"	68.994688
"162699"	870.83804	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+2K-H"	76.91904
"605912"	1267.79754	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+2K-H"	76.91904
"1087143"	473.87854	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2K-H"	76.91904
"146145"	435.922658	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"2M+2K"	77.926316
"587892"	634.402408	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"3M+2K"	77.926316
"1072404"	237.442908	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2K"	77.926316
"1106707"	475.893092	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2K+H"	78.933592
"1343094"	475.980707	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+DMSO+H"	79.021207
"1013810"	480.019876	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2ACN+H"	83.060376
"1531936"	481.013508	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+IsoProp+Na+H"	84.054008
"995106"	240.513576	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+2ACN+2H"	84.067652
"1592887"	481.928128	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+K+HCOOH"	84.968628
"1419651"	511.959638	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+H+CF3COOH"	115.000138
"1152125"	261.026851	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+3ACN+2H"	125.094202
"1703861"	528.986185	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+NH4+CF3COOH"	132.026685
"1640608"	533.94158	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+Na+CF3COOH"	136.98208
"1576258"	549.91552	"C13102"	"Bismuth subnitrate;Bismuth hydroxide nitrate oxide"	"BiN3H2O9"	"396.9595"	"M+K+CF3COOH"	152.95602
"802251"	701.3986	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M"	0
"979066"	682.38021	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-H2O-H"	-19.01839
"64390"	466.591790666667	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M-3H"	-3.021828
"507962"	700.391324	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M-3H"	-3.021828
"885764"	232.792257333333	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-3H"	-3.021828
"8713"	700.391324	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M-2H"	-2.014552
"447186"	1051.090624	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M-2H"	-2.014552
"818789"	349.692024	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-2H"	-2.014552
"79748"	1401.789924	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M-H"	-1.007276
"522353"	2103.188524	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M-H"	-1.007276
"895897"	700.391324	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-H"	-1.007276
"49061"	1418.816471	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M-2H+NH4"	16.019271
"489714"	2120.215071	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M-2H+NH4"	16.019271
"870795"	717.417871	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-2H+NH4"	16.019271
"33228"	1423.771866	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M-2H+Na"	20.974666
"473152"	2125.170466	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M-2H+Na"	20.974666
"853872"	722.373266	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-2H+Na"	20.974666
"1620119"	722.373266	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Na-2H"	20.974666
"95559"	718.379663	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M-H+Cl"	33.962126
"534831"	1069.078963	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M-H+Cl"	33.962126
"928635"	367.680363	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-H+Cl"	33.962126
"268286"	1437.766602	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+Cl"	34.969402
"665084"	2139.165202	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+Cl"	34.969402
"1274327"	736.368002	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Cl"	34.969402
"27707"	1439.745806	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M-2H+K"	36.948606
"471160"	2141.144406	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M-2H+K"	36.948606
"848273"	738.347206	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-2H+K"	36.948606
"1570016"	738.347206	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+K-2H"	36.948606
"955346"	746.396794	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-H+HCOOH"	44.998194
"376118"	1447.795401	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+HCOOH-H"	44.998201
"360000"	1461.811051	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+Hac-H"	59.013851
"1505553"	760.412451	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Hac-H"	59.013851
"970909"	768.378751	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-H+NaCOOH"	66.980151
"122004"	736.368002	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+2Cl"	69.938804
"562292"	1087.067302	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+2Cl"	69.938804
"1032181"	385.668702	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2Cl"	69.938804
"1252852"	780.317485	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Br"	78.918885
"1316392"	782.373472	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Cl+HCOOH"	80.974872
"1328420"	804.355429	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Cl+NaCOOH"	102.956829
"915467"	814.384186	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M-H+CF3COOH"	112.985586
"1295096"	850.360864	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Cl+CF3COOH"	148.962264
"1379461"	666.385924	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H-2H2O"	-35.012676
"1392946"	684.3959	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H-H2O"	-17.0027
"290446"	1403.804476	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+H"	1.007276
"677401"	2105.203076	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+H"	1.007276
"1352289"	702.405876	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H"	1.007276
"131743"	702.405876	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+2H"	2.014552
"565993"	1053.105176	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+2H"	2.014552
"1038280"	351.706576	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2H"	2.014552
"207274"	468.606342666667	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+3H"	3.021828
"646832"	702.405876	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+3H"	3.021828
"1167147"	234.806809333333	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+3H"	3.021828
"432610"	1420.831023	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+NH4"	18.033823
"800422"	2122.229623	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+NH4"	18.033823
"1696023"	719.432423	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+NH4"	18.033823
"342962"	710.9191495	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+H+NH4"	19.041099
"736841"	1061.6184495	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+H+NH4"	19.041099
"1490295"	360.2198495	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H+NH4"	19.041099
"407518"	1425.786418	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+Na"	22.989218
"767781"	2127.185018	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+Na"	22.989218
"1617581"	724.387818	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Na"	22.989218
"327008"	713.396847	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+H+Na"	23.996494
"717241"	1064.096147	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+H+Na"	23.996494
"1475440"	362.697547	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H+Na"	23.996494
"1066133"	242.134123333333	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2H+Na"	25.00377
"1272186"	734.432086	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+CH3OH+H"	33.033486
"390761"	1441.760358	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+K"	38.963158
"751390"	2143.158958	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+K"	38.963158
"1551620"	740.361758	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+K"	38.963158
"309890"	721.383817	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+H+K"	39.970434
"704135"	1072.083117	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+H+K"	39.970434
"1456495"	370.684517	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H+K"	39.970434
"246922"	1444.831026	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+ACN+H"	42.033826
"1221820"	743.432426	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+ACN+H"	42.033826
"1205701"	372.219851	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+ACN+2H"	43.041102
"192013"	1447.76836	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+2Na-H"	44.97116
"633032"	2149.16696	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+2Na-H"	44.97116
"1136175"	746.36976	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2Na-H"	44.97116
"183839"	724.387818	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+2Na"	45.978436
"621213"	1075.087118	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+2Na"	45.978436
"1124718"	373.688518	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2Na"	45.978436
"1403867"	249.461437333333	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H+2Na"	46.985712
"1438168"	748.411346	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H+HCOOH"	47.012746
"222397"	729.42084	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+3H2O+2H"	56.04448
"1509730"	762.46339	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+IsoProp+H"	61.06479
"418892"	732.374788	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+Na+K"	61.952376
"771866"	1083.074088	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+Na+K"	61.952376
"1667112"	381.675488	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Na+K"	61.952376
"253996"	1466.812968	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+ACN+Na"	64.015768
"1228164"	765.414368	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+ACN+Na"	64.015768
"1715228"	765.437893	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+NH4+HCOOH"	64.039293
"1186419"	256.788751333333	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+3Na"	68.967654
"1654122"	770.393288	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Na+HCOOH"	68.994688
"160622"	1479.71624	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+2K-H"	76.91904
"602742"	2181.11484	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+2K-H"	76.91904
"1087253"	778.31764	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2K-H"	76.91904
"146256"	740.361758	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"2M+2K"	77.926316
"588002"	1091.061058	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"3M+2K"	77.926316
"1076887"	389.662458	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2K"	77.926316
"1109005"	780.332192	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2K+H"	78.933592
"1343203"	780.419807	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+DMSO+H"	79.021207
"1015014"	784.458976	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2ACN+H"	83.060376
"1539457"	785.452608	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+IsoProp+Na+H"	84.054008
"993028"	392.733126	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+2ACN+2H"	84.067652
"1591903"	786.367228	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+K+HCOOH"	84.968628
"1420855"	816.398738	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+H+CF3COOH"	115.000138
"1152235"	413.246401	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+3ACN+2H"	125.094202
"1703971"	833.425285	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+NH4+CF3COOH"	132.026685
"1640718"	838.38068	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+Na+CF3COOH"	136.98208
"1575275"	854.35462	"C13103"	"Leucomycin V"	"C35H59NO13"	"701.3986"	"M+K+CF3COOH"	152.95602
"812202"	404.0113	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M"	0
"979176"	384.99291	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-H2O-H"	-19.01839
"64864"	268.333590666667	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M-3H"	-3.021828
"508072"	403.004024	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M-3H"	-3.021828
"889155"	133.663157333333	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-3H"	-3.021828
"12103"	403.004024	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M-2H"	-2.014552
"447296"	605.009674	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M-2H"	-2.014552
"818534"	200.998374	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-2H"	-2.014552
"79739"	807.015324	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M-H"	-1.007276
"518565"	1211.026624	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M-H"	-1.007276
"895798"	403.004024	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-H"	-1.007276
"47301"	824.041871	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M-2H+NH4"	16.019271
"493104"	1228.053171	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M-2H+NH4"	16.019271
"874185"	420.030571	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-2H+NH4"	16.019271
"43908"	828.997266	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M-2H+Na"	20.974666
"479458"	1233.008566	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M-2H+Na"	20.974666
"853979"	424.985966	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-2H+Na"	20.974666
"1622421"	424.985966	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Na-2H"	20.974666
"97855"	420.992363	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M-H+Cl"	33.962126
"534619"	622.998013	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M-H+Cl"	33.962126
"927202"	218.986713	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-H+Cl"	33.962126
"269491"	842.992002	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+Cl"	34.969402
"665194"	1247.003302	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+Cl"	34.969402
"1275409"	438.980702	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Cl"	34.969402
"27453"	844.971206	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M-2H+K"	36.948606
"469930"	1248.982506	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M-2H+K"	36.948606
"845544"	440.959906	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-2H+K"	36.948606
"1570126"	440.959906	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+K-2H"	36.948606
"955092"	449.009494	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-H+HCOOH"	44.998194
"376225"	853.020801	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+HCOOH-H"	44.998201
"358287"	867.036451	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+Hac-H"	59.013851
"1504932"	463.025151	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Hac-H"	59.013851
"971380"	470.991451	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-H+NaCOOH"	66.980151
"121747"	438.980702	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+2Cl"	69.938804
"562035"	640.986352	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+2Cl"	69.938804
"1030105"	236.975052	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2Cl"	69.938804
"1252960"	482.930185	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Br"	78.918885
"1314315"	484.986172	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Cl+HCOOH"	80.974872
"1328529"	506.968129	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Cl+NaCOOH"	102.956829
"913024"	516.996886	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M-H+CF3COOH"	112.985586
"1296300"	552.973564	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Cl+CF3COOH"	148.962264
"1381028"	368.998624	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H-2H2O"	-35.012676
"1393056"	387.0086	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H-H2O"	-17.0027
"290557"	809.029876	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+H"	1.007276
"680791"	1213.041176	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+H"	1.007276
"1352399"	405.018576	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H"	1.007276
"131124"	405.018576	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+2H"	2.014552
"566792"	607.024226	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+2H"	2.014552
"1038632"	203.012926	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2H"	2.014552
"207384"	270.348142666667	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+3H"	3.021828
"646212"	405.018576	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+3H"	3.021828
"1167257"	135.677709333333	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+3H"	3.021828
"430533"	826.056423	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+NH4"	18.033823
"801142"	1230.067723	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+NH4"	18.033823
"1696622"	422.045123	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+NH4"	18.033823
"345026"	413.5318495	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+H+NH4"	19.041099
"738011"	615.5374995	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+H+NH4"	19.041099
"1489677"	211.5261995	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H+NH4"	19.041099
"407510"	831.011818	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+Na"	22.989218
"767529"	1235.023118	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+Na"	22.989218
"1616598"	427.000518	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Na"	22.989218
"328457"	416.009547	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+H+Na"	23.996494
"721126"	618.015197	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+H+Na"	23.996494
"1473364"	214.003897	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H+Na"	23.996494
"1067099"	143.005023333333	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2H+Na"	25.00377
"1271940"	437.044786	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+CH3OH+H"	33.033486
"391236"	846.985758	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+K"	38.963158
"751137"	1250.997058	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+K"	38.963158
"1554167"	442.974458	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+K"	38.963158
"310731"	423.996517	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+H+K"	39.970434
"703152"	626.002167	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+H+K"	39.970434
"1458430"	221.990867	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H+K"	39.970434
"248130"	850.056426	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+ACN+H"	42.033826
"1223025"	446.045126	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+ACN+H"	42.033826
"1205814"	223.526201	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+ACN+2H"	43.041102
"195405"	852.99376	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+2Na-H"	44.97116
"637153"	1257.00506	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+2Na-H"	44.97116
"1139566"	448.98246	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2Na-H"	44.97116
"185772"	427.000518	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+2Na"	45.978436
"623510"	629.006168	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+2Na"	45.978436
"1127744"	224.994868	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2Na"	45.978436
"1406164"	150.332337333333	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H+2Na"	46.985712
"1438279"	451.024046	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H+HCOOH"	47.012746
"225789"	432.03354	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+3H2O+2H"	56.04448
"1511663"	465.07609	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+IsoProp+H"	61.06479
"413535"	434.987488	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+Na+K"	61.952376
"770524"	636.993138	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+Na+K"	61.952376
"1666615"	232.981838	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Na+K"	61.952376
"254110"	872.038368	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+ACN+Na"	64.015768
"1229005"	468.027068	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+ACN+Na"	64.015768
"1716799"	468.050593	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+NH4+HCOOH"	64.039293
"1188718"	157.659651333333	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+3Na"	68.967654
"1654235"	473.005988	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Na+HCOOH"	68.994688
"166569"	884.94164	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+2K-H"	76.91904
"600665"	1288.95294	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+2K-H"	76.91904
"1088456"	480.93034	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2K-H"	76.91904
"151833"	442.974458	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"2M+2K"	77.926316
"592486"	644.980108	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"3M+2K"	77.926316
"1075905"	240.968808	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2K"	77.926316
"1113368"	482.944892	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2K+H"	78.933592
"1344406"	483.032507	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+DMSO+H"	79.021207
"1019497"	487.071676	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2ACN+H"	83.060376
"1537501"	488.065308	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+IsoProp+Na+H"	84.054008
"993138"	244.039476	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+2ACN+2H"	84.067652
"1592011"	488.979928	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+K+HCOOH"	84.968628
"1415852"	519.011438	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+H+CF3COOH"	115.000138
"1155626"	264.552751	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+3ACN+2H"	125.094202
"1702989"	536.037985	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+NH4+CF3COOH"	132.026685
"1640828"	540.99338	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+Na+CF3COOH"	136.98208
"1575384"	556.96732	"C13104"	"Aluminoparaaminosalicylate calcium;Alumino-p-aminosalicylic acid calcium salt"	"(C7H5NO3)2AlH2OOHCa"	"404.0113"	"M+K+CF3COOH"	152.95602
"812315"	383.1096	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M"	0
"982566"	364.09121	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-H2O-H"	-19.01839
"65340"	254.399124	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M-3H"	-3.021828
"509275"	382.102324	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M-3H"	-3.021828
"883068"	126.695924	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-3H"	-3.021828
"7846"	382.102324	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M-2H"	-2.014552
"448499"	573.657124	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M-2H"	-2.014552
"819740"	190.547524	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-2H"	-2.014552
"81917"	765.211924	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M-H"	-1.007276
"519167"	1148.321524	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M-H"	-1.007276
"896037"	382.102324	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-H"	-1.007276
"50375"	782.238471	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M-2H+NH4"	16.019271
"487206"	1165.348071	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M-2H+NH4"	16.019271
"874296"	399.128871	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-2H+NH4"	16.019271
"35637"	787.193866	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M-2H+Na"	20.974666
"479569"	1170.303466	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M-2H+Na"	20.974666
"851904"	404.084266	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-2H+Na"	20.974666
"1624718"	404.084266	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Na-2H"	20.974666
"97966"	400.090663	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M-H+Cl"	33.962126
"536434"	591.645463	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M-H+Cl"	33.962126
"929948"	208.535863	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-H+Cl"	33.962126
"276162"	801.188602	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+Cl"	34.969402
"671865"	1184.298202	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+Cl"	34.969402
"1285007"	418.079002	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Cl"	34.969402
"28656"	803.167806	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M-2H+K"	36.948606
"469919"	1186.277406	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M-2H+K"	36.948606
"847112"	420.058206	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-2H+K"	36.948606
"1570723"	420.058206	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+K-2H"	36.948606
"955568"	428.107794	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-H+HCOOH"	44.998194
"374148"	811.217401	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+HCOOH-H"	44.998201
"358760"	825.233051	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+Hac-H"	59.013851
"1504676"	442.123451	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Hac-H"	59.013851
"968576"	450.089751	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-H+NaCOOH"	66.980151
"121855"	418.079002	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+2Cl"	69.938804
"561781"	609.633802	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+2Cl"	69.938804
"1034223"	226.524202	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2Cl"	69.938804
"1249790"	462.028485	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Br"	78.918885
"1309683"	464.084472	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Cl+HCOOH"	80.974872
"1325722"	486.066429	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Cl+NaCOOH"	102.956829
"922621"	496.095186	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M-H+CF3COOH"	112.985586
"1300790"	532.071864	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Cl+CF3COOH"	148.962264
"1376765"	348.096924	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H-2H2O"	-35.012676
"1386970"	366.1069	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H-H2O"	-17.0027
"284464"	767.226476	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+H"	1.007276
"678348"	1150.336076	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+H"	1.007276
"1353970"	384.116876	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H"	1.007276
"127953"	384.116876	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+2H"	2.014552
"567874"	575.671676	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+2H"	2.014552
"1038742"	192.562076	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2H"	2.014552
"207493"	256.413676	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+3H"	3.021828
"654713"	384.116876	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+3H"	3.021828
"1173936"	128.710476	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+3H"	3.021828
"436113"	784.253023	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+NH4"	18.033823
"798571"	1167.362623	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+NH4"	18.033823
"1696364"	401.143423	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+NH4"	18.033823
"343911"	392.6301495	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+H+NH4"	19.041099
"737423"	584.1849495	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+H+NH4"	19.041099
"1492336"	201.0753495	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H+NH4"	19.041099
"406640"	789.208418	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+Na"	22.989218
"767635"	1172.318018	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+Na"	22.989218
"1617315"	406.098818	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Na"	22.989218
"329174"	395.107847	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+H+Na"	23.996494
"720381"	586.662647	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+H+Na"	23.996494
"1474566"	203.553047	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H+Na"	23.996494
"1067450"	136.03779	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2H+Na"	25.00377
"1270951"	416.143086	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+CH3OH+H"	33.033486
"392200"	805.182358	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+K"	38.963158
"753687"	1188.291958	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+K"	38.963158
"1555009"	422.072758	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+K"	38.963158
"311939"	403.094817	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+H+K"	39.970434
"706181"	594.649617	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+H+K"	39.970434
"1456358"	211.540017	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H+K"	39.970434
"244960"	808.253026	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+ACN+H"	42.033826
"1223135"	425.143426	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+ACN+H"	42.033826
"1207016"	213.075351	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+ACN+2H"	43.041102
"198794"	811.19036	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+2Na-H"	44.97116
"631067"	1194.29996	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+2Na-H"	44.97116
"1141862"	428.08076	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2Na-H"	44.97116
"185152"	406.098818	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+2Na"	45.978436
"623620"	597.653618	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+2Na"	45.978436
"1122750"	214.544018	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2Na"	45.978436
"1402995"	143.365104	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H+2Na"	46.985712
"1435109"	430.122346	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H+HCOOH"	47.012746
"229179"	411.13184	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+3H2O+2H"	56.04448
"1513960"	444.17439	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+IsoProp+H"	61.06479
"409637"	414.085788	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+Na+K"	61.952376
"777932"	605.640588	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+Na+K"	61.952376
"1669887"	222.530988	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Na+K"	61.952376
"255314"	830.234968	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+ACN+Na"	64.015768
"1229115"	447.125368	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+ACN+Na"	64.015768
"1721284"	447.148893	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+NH4+HCOOH"	64.039293
"1183357"	150.692418	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+3Na"	68.967654
"1664192"	452.104288	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Na+HCOOH"	68.994688
"162309"	843.13824	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+2K-H"	76.91904
"601138"	1226.24784	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+2K-H"	76.91904
"1091848"	460.02864	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2K-H"	76.91904
"146475"	422.072758	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"2M+2K"	77.926316
"593689"	613.627558	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"3M+2K"	77.926316
"1082452"	230.517958	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2K"	77.926316
"1107038"	462.043192	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2K+H"	78.933592
"1342331"	462.130807	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+DMSO+H"	79.021207
"1019486"	466.169976	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2ACN+H"	83.060376
"1536638"	467.163608	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+IsoProp+Na+H"	84.054008
"992156"	233.588626	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+2ACN+2H"	84.067652
"1589942"	468.078228	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+K+HCOOH"	84.968628
"1415962"	498.109738	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+H+CF3COOH"	115.000138
"1149540"	254.101901	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+3ACN+2H"	125.094202
"1703102"	515.136285	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+NH4+CF3COOH"	132.026685
"1640939"	520.09168	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+Na+CF3COOH"	136.98208
"1574402"	536.06562	"C13109"	"Hyoscyamine methylbromide;Atropine methobromide;Atropine methylbromide"	"C18H26NO3Br"	"383.1096"	"M+K+CF3COOH"	152.95602
"803677"	416.0808	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M"	0
"979395"	397.06241	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-H2O-H"	-19.01839
"68733"	276.379924	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M-3H"	-3.021828
"503917"	415.073524	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M-3H"	-3.021828
"886099"	137.686324	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-3H"	-3.021828
"7957"	415.073524	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M-2H"	-2.014552
"447517"	623.113924	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M-2H"	-2.014552
"818877"	207.033124	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-2H"	-2.014552
"78635"	831.154324	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M-H"	-1.007276
"518788"	1247.235124	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M-H"	-1.007276
"896592"	415.073524	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-H"	-1.007276
"47687"	848.180871	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M-2H+NH4"	16.019271
"493320"	1264.261671	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M-2H+NH4"	16.019271
"868936"	432.100071	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-2H+NH4"	16.019271
"36836"	853.136266	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M-2H+Na"	20.974666
"473364"	1269.217066	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M-2H+Na"	20.974666
"849706"	437.055466	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-2H+Na"	20.974666
"1619605"	437.055466	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Na-2H"	20.974666
"102456"	433.061863	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M-H+Cl"	33.962126
"538736"	641.102263	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M-H+Cl"	33.962126
"930067"	225.021463	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-H+Cl"	33.962126
"275186"	867.131002	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+Cl"	34.969402
"667610"	1283.211802	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+Cl"	34.969402
"1277826"	451.050202	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Cl"	34.969402
"29860"	869.110206	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M-2H+K"	36.948606
"470761"	1285.191006	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M-2H+K"	36.948606
"848201"	453.029406	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-2H+K"	36.948606
"1566699"	453.029406	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+K-2H"	36.948606
"956408"	461.078994	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-H+HCOOH"	44.998194
"372808"	877.159801	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+HCOOH-H"	44.998201
"360335"	891.175451	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+Hac-H"	59.013851
"1506976"	475.094651	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Hac-H"	59.013851
"971242"	483.060951	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-H+NaCOOH"	66.980151
"121968"	451.050202	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+2Cl"	69.938804
"563715"	659.090602	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+2Cl"	69.938804
"1032508"	243.009802	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2Cl"	69.938804
"1247712"	494.999685	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Br"	78.918885
"1309065"	497.055672	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Cl+HCOOH"	80.974872
"1332034"	519.037629	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Cl+NaCOOH"	102.956829
"919813"	529.066386	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M-H+CF3COOH"	112.985586
"1293246"	565.043064	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Cl+CF3COOH"	148.962264
"1379791"	381.068124	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H-2H2O"	-35.012676
"1398375"	399.0781	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H-H2O"	-17.0027
"282941"	833.168876	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+H"	1.007276
"681011"	1249.249676	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+H"	1.007276
"1357361"	417.088076	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H"	1.007276
"131346"	417.088076	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+2H"	2.014552
"575282"	625.128476	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+2H"	2.014552
"1041894"	209.047676	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2H"	2.014552
"218183"	278.394476	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+3H"	3.021828
"657743"	417.088076	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+3H"	3.021828
"1177575"	139.700876	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+3H"	3.021828
"437320"	850.195423	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+NH4"	18.033823
"796126"	1266.276223	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+NH4"	18.033823
"1690272"	434.114623	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+NH4"	18.033823
"339644"	425.6013495	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+H+NH4"	19.041099
"734251"	633.6417495	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+H+NH4"	19.041099
"1491352"	217.5609495	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H+NH4"	19.041099
"403471"	855.150818	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+Na"	22.989218
"764467"	1271.231618	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+Na"	22.989218
"1613659"	439.070018	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Na"	22.989218
"326975"	428.079047	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+H+Na"	23.996494
"721827"	636.119447	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+H+Na"	23.996494
"1476375"	220.038647	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H+Na"	23.996494
"1067881"	147.02819	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2H+Na"	25.00377
"1269965"	449.114286	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+CH3OH+H"	33.033486
"392550"	871.124758	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+K"	38.963158
"750998"	1287.205558	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+K"	38.963158
"1553050"	455.043958	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+K"	38.963158
"301476"	436.066017	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+H+K"	39.970434
"700455"	644.106417	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+H+K"	39.970434
"1454279"	228.025617	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H+K"	39.970434
"245065"	874.195426	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+ACN+H"	42.033826
"1214496"	458.114626	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+ACN+H"	42.033826
"1195463"	229.560951	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+ACN+2H"	43.041102
"189793"	877.13276	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+2Na-H"	44.97116
"629720"	1293.21356	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+2Na-H"	44.97116
"1131764"	461.05196	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2Na-H"	44.97116
"174204"	439.070018	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+2Na"	45.978436
"614003"	647.110418	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+2Na"	45.978436
"1116296"	231.029618	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2Na"	45.978436
"1399216"	154.355504	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H+2Na"	46.985712
"1430719"	463.093546	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H+HCOOH"	47.012746
"227109"	444.10304	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+3H2O+2H"	56.04448
"1512985"	477.14559	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+IsoProp+H"	61.06479
"411580"	447.056988	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+Na+K"	61.952376
"776950"	655.097388	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+Na+K"	61.952376
"1668907"	239.016588	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Na+K"	61.952376
"256520"	896.177368	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+ACN+Na"	64.015768
"1231416"	480.096568	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+ACN+Na"	64.015768
"1720307"	480.120093	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+NH4+HCOOH"	64.039293
"1184568"	161.682818	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+3Na"	68.967654
"1655557"	485.075488	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Na+HCOOH"	68.994688
"161323"	909.08064	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+2K-H"	76.91904
"601977"	1325.16144	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+2K-H"	76.91904
"1087583"	492.99984	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2K-H"	76.91904
"144400"	455.043958	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"2M+2K"	77.926316
"585055"	663.084358	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"3M+2K"	77.926316
"1075035"	247.003558	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2K"	77.926316
"1103871"	495.014392	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2K+H"	78.933592
"1341348"	495.102007	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+DMSO+H"	79.021207
"1009879"	499.141176	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2ACN+H"	83.060376
"1526180"	500.134808	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+IsoProp+Na+H"	84.054008
"994450"	250.074226	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+2ACN+2H"	84.067652
"1588589"	501.049428	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+K+HCOOH"	84.968628
"1414370"	531.080938	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+H+CF3COOH"	115.000138
"1150374"	270.587501	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+3ACN+2H"	125.094202
"1701023"	548.107485	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+NH4+CF3COOH"	132.026685
"1635581"	553.06288	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+Na+CF3COOH"	136.98208
"1574512"	569.03682	"C13110"	"Propicillin potassium;Brocillin"	"C18H21N2O5SK"	"416.0808"	"M+K+CF3COOH"	152.95602
"802694"	261.0516	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M"	0
"976225"	242.03321	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-H2O-H"	-19.01839
"71030"	173.027124	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M-3H"	-3.021828
"504030"	260.044324	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M-3H"	-3.021828
"881834"	86.009924	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-3H"	-3.021828
"4787"	260.044324	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M-2H"	-2.014552
"442159"	390.570124	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M-2H"	-2.014552
"819229"	129.518524	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-2H"	-2.014552
"81041"	521.095924	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M-H"	-1.007276
"520235"	782.147524	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M-H"	-1.007276
"896700"	260.044324	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-H"	-1.007276
"48281"	538.122471	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M-2H+NH4"	16.019271
"489055"	799.174071	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M-2H+NH4"	16.019271
"866493"	277.070871	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-2H+NH4"	16.019271
"41322"	543.077866	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M-2H+Na"	20.974666
"474445"	804.129466	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M-2H+Na"	20.974666
"849937"	282.026266	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-2H+Na"	20.974666
"1619468"	282.026266	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Na-2H"	20.974666
"97096"	278.032663	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M-H+Cl"	33.962126
"541030"	408.558463	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M-H+Cl"	33.962126
"928350"	147.506863	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-H+Cl"	33.962126
"270192"	557.072602	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+Cl"	34.969402
"664439"	818.124202	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+Cl"	34.969402
"1275019"	296.021002	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Cl"	34.969402
"29970"	559.051806	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M-2H+K"	36.948606
"470260"	820.103406	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M-2H+K"	36.948606
"848395"	298.000206	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-2H+K"	36.948606
"1571114"	298.000206	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+K-2H"	36.948606
"954694"	306.049794	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-H+HCOOH"	44.998194
"376441"	567.101401	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+HCOOH-H"	44.998201
"358253"	581.117051	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+Hac-H"	59.013851
"1507452"	320.065451	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Hac-H"	59.013851
"970253"	328.031751	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-H+NaCOOH"	66.980151
"121349"	296.021002	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+2Cl"	69.938804
"563461"	426.546802	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+2Cl"	69.938804
"1032259"	165.495202	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2Cl"	69.938804
"1246726"	339.970485	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Br"	78.918885
"1308445"	342.026472	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Cl+HCOOH"	80.974872
"1332144"	364.008429	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Cl+NaCOOH"	102.956829
"923203"	374.037186	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M-H+CF3COOH"	112.985586
"1292627"	410.013864	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Cl+CF3COOH"	148.962264
"1379172"	226.038924	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H-2H2O"	-35.012676
"1393389"	244.0489	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H-H2O"	-17.0027
"284442"	523.110476	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+H"	1.007276
"680028"	784.162076	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+H"	1.007276
"1353822"	262.058876	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H"	1.007276
"126951"	262.058876	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+2H"	2.014552
"566997"	392.584676	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+2H"	2.014552
"1037622"	131.533076	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2H"	2.014552
"213184"	175.041676	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+3H"	3.021828
"653838"	262.058876	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+3H"	3.021828
"1177440"	88.024476	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+3H"	3.021828
"438892"	540.137023	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+NH4"	18.033823
"798424"	801.188623	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+NH4"	18.033823
"1695847"	279.085423	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+NH4"	18.033823
"339751"	270.5721495	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+H+NH4"	19.041099
"734361"	401.0979495	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+H+NH4"	19.041099
"1489274"	140.0463495	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H+NH4"	19.041099
"405767"	545.092418	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+Na"	22.989218
"767855"	806.144018	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+Na"	22.989218
"1614860"	284.040818	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Na"	22.989218
"324896"	273.049847	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+H+Na"	23.996494
"718411"	403.575647	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+H+Na"	23.996494
"1474421"	142.524047	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H+Na"	23.996494
"1067546"	95.35179	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2H+Na"	25.00377
"1266062"	294.085086	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+CH3OH+H"	33.033486
"390108"	561.066358	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+K"	38.963158
"751105"	822.117958	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+K"	38.963158
"1553526"	300.014758	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+K"	38.963158
"309241"	281.036817	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+H+K"	39.970434
"698379"	411.562617	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+H+K"	39.970434
"1452203"	150.511017	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H+K"	39.970434
"244084"	564.137026	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+ACN+H"	42.033826
"1212784"	303.085426	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+ACN+H"	42.033826
"1196302"	152.046351	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+ACN+2H"	43.041102
"190632"	567.07436	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+2Na-H"	44.97116
"630432"	828.12596	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+2Na-H"	44.97116
"1132967"	306.02276	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2Na-H"	44.97116
"174436"	284.040818	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+2Na"	45.978436
"613629"	414.566618	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+2Na"	45.978436
"1116529"	153.515018	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2Na"	45.978436
"1399567"	102.679104	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H+2Na"	46.985712
"1431075"	308.064346	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H+HCOOH"	47.012746
"226126"	289.07384	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+3H2O+2H"	56.04448
"1513095"	322.11639	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+IsoProp+H"	61.06479
"409987"	292.027788	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+Na+K"	61.952376
"777060"	422.553588	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+Na+K"	61.952376
"1667923"	161.501988	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Na+K"	61.952376
"253350"	586.118968	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+ACN+Na"	64.015768
"1230432"	325.067368	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+ACN+Na"	64.015768
"1722602"	325.090893	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+NH4+HCOOH"	64.039293
"1187955"	110.006418	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+3Na"	68.967654
"1656760"	330.046288	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Na+HCOOH"	68.994688
"162526"	599.02224	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+2K-H"	76.91904
"599898"	860.07384	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+2K-H"	76.91904
"1088786"	337.97064	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2K-H"	76.91904
"145602"	300.014758	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"2M+2K"	77.926316
"584799"	430.540558	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"3M+2K"	77.926316
"1073685"	169.488958	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2K"	77.926316
"1106167"	339.985192	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2K+H"	78.933592
"1339272"	340.072807	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+DMSO+H"	79.021207
"1007194"	344.111976	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2ACN+H"	83.060376
"1527018"	345.105608	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+IsoProp+Na+H"	84.054008
"994559"	172.559626	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+2ACN+2H"	84.067652
"1587362"	346.020228	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+K+HCOOH"	84.968628
"1414725"	376.051738	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+H+CF3COOH"	115.000138
"1147441"	193.072901	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+3ACN+2H"	125.094202
"1701133"	393.078285	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+NH4+CF3COOH"	132.026685
"1635691"	398.03368	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+Na+CF3COOH"	136.98208
"1573529"	414.00762	"C13112"	"Ancitabin hydrochloride;Cyclocytidine"	"C9H11N3O4HCl"	"261.0516"	"M+K+CF3COOH"	152.95602
"813742"	264.9851	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M"	0
"986179"	245.96671	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-H2O-H"	-19.01839
"72236"	175.649457333333	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M-3H"	-3.021828
"512890"	263.977824	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M-3H"	-3.021828
"890694"	87.3210906666666	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-3H"	-3.021828
"7084"	263.977824	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M-2H"	-2.014552
"444458"	396.470374	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M-2H"	-2.014552
"817758"	131.485274	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-2H"	-2.014552
"79571"	528.962924	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M-H"	-1.007276
"519739"	793.948024	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M-H"	-1.007276
"896324"	263.977824	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-H"	-1.007276
"48271"	545.989471	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M-2H+NH4"	16.019271
"489167"	810.974571	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M-2H+NH4"	16.019271
"865510"	281.004371	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-2H+NH4"	16.019271
"32316"	550.944866	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M-2H+Na"	20.974666
"474432"	815.929966	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M-2H+Na"	20.974666
"849440"	285.959766	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-2H+Na"	20.974666
"1619335"	285.959766	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Na-2H"	20.974666
"94897"	281.966163	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M-H+Cl"	33.962126
"538955"	414.458713	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M-H+Cl"	33.962126
"930283"	149.473613	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-H+Cl"	33.962126
"273222"	564.939602	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+Cl"	34.969402
"667830"	829.924702	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+Cl"	34.969402
"1286431"	299.954502	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Cl"	34.969402
"28988"	566.918806	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M-2H+K"	36.948606
"471342"	831.903906	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M-2H+K"	36.948606
"848396"	301.933706	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-2H+K"	36.948606
"1565827"	301.933706	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+K-2H"	36.948606
"958253"	309.983294	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-H+HCOOH"	44.998194
"376833"	574.968401	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+HCOOH-H"	44.998201
"360430"	588.984051	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+Hac-H"	59.013851
"1503556"	323.998951	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Hac-H"	59.013851
"972917"	331.965251	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-H+NaCOOH"	66.980151
"121091"	299.954502	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+2Cl"	69.938804
"559556"	432.447052	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+2Cl"	69.938804
"1032728"	167.461952	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2Cl"	69.938804
"1248296"	343.903985	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Br"	78.918885
"1304667"	345.959972	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Cl+HCOOH"	80.974872
"1324961"	367.941929	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Cl+NaCOOH"	102.956829
"916018"	377.970686	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M-H+CF3COOH"	112.985586
"1294560"	413.947364	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Cl+CF3COOH"	148.962264
"1377098"	229.972424	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H-2H2O"	-35.012676
"1398079"	247.9824	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H-H2O"	-17.0027
"295371"	530.977476	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+H"	1.007276
"690712"	795.962576	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+H"	1.007276
"1360863"	265.992376	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H"	1.007276
"130470"	265.992376	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+2H"	2.014552
"570032"	398.484926	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+2H"	2.014552
"1039923"	133.499826	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2H"	2.014552
"215484"	177.664009333333	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+3H"	3.021828
"653948"	265.992376	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+3H"	3.021828
"1176821"	89.3356426666667	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+3H"	3.021828
"438635"	548.004023	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+NH4"	18.033823
"798535"	812.989123	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+NH4"	18.033823
"1695593"	283.018923	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+NH4"	18.033823
"343142"	274.5056495	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+H+NH4"	19.041099
"735565"	406.9981995	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+H+NH4"	19.041099
"1492344"	142.0130995	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H+NH4"	19.041099
"403690"	552.959418	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+Na"	22.989218
"763592"	817.944518	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+Na"	22.989218
"1612783"	287.974318	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Na"	22.989218
"325006"	276.983347	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+H+Na"	23.996494
"719617"	409.475897	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+H+Na"	23.996494
"1474530"	144.490797	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H+Na"	23.996494
"1066320"	96.6629566666667	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2H+Na"	25.00377
"1271642"	298.018586	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+CH3OH+H"	33.033486
"390218"	568.933358	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+K"	38.963158
"751214"	833.918458	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+K"	38.963158
"1553270"	303.948258	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+K"	38.963158
"311539"	284.970317	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+H+K"	39.970434
"696305"	417.462867	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+H+K"	39.970434
"1448667"	152.477767	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H+K"	39.970434
"239820"	572.004026	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+ACN+H"	42.033826
"1212165"	307.018926	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+ACN+H"	42.033826
"1195563"	154.013101	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+ACN+2H"	43.041102
"190379"	574.94136	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+2Na-H"	44.97116
"629940"	839.92646	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+2Na-H"	44.97116
"1136726"	309.95626	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2Na-H"	44.97116
"173005"	287.974318	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+2Na"	45.978436
"613619"	420.466868	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+2Na"	45.978436
"1115674"	155.481768	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2Na"	45.978436
"1402599"	103.990270666667	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H+2Na"	46.985712
"1431799"	311.997846	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H+HCOOH"	47.012746
"226236"	293.00734	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+3H2O+2H"	56.04448
"1514298"	326.04989	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+IsoProp+H"	61.06479
"411800"	295.961288	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+Na+K"	61.952376
"773889"	428.453838	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+Na+K"	61.952376
"1670221"	163.468738	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Na+K"	61.952376
"254554"	593.985968	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+ACN+Na"	64.015768
"1234920"	329.000868	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+ACN+Na"	64.015768
"1721618"	329.024393	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+NH4+HCOOH"	64.039293
"1188065"	111.317584666667	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+3Na"	68.967654
"1660151"	333.979788	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Na+HCOOH"	68.994688
"163733"	606.88924	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+2K-H"	76.91904
"600012"	871.87434	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+2K-H"	76.91904
"1087804"	341.90414	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2K-H"	76.91904
"144253"	303.948258	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"2M+2K"	77.926316
"583817"	436.440808	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"3M+2K"	77.926316
"1075256"	171.455708	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2K"	77.926316
"1107374"	343.918692	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2K+H"	78.933592
"1341570"	344.006307	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+DMSO+H"	79.021207
"1010100"	348.045476	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2ACN+H"	83.060376
"1526040"	349.039108	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+IsoProp+Na+H"	84.054008
"992486"	174.526376	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+2ACN+2H"	84.067652
"1591368"	349.953728	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+K+HCOOH"	84.968628
"1415203"	379.985238	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+H+CF3COOH"	115.000138
"1152781"	195.039651	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+3ACN+2H"	125.094202
"1703432"	397.011785	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+NH4+CF3COOH"	132.026685
"1641269"	401.96718	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+Na+CF3COOH"	136.98208
"1573639"	417.94112	"C13127"	"Bropirimine"	"C10H8BrN3O"	"264.9851"	"M+K+CF3COOH"	152.95602
"809474"	766.1648	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M"	0
"986287"	747.14641	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-H2O-H"	-19.01839
"72346"	509.769257333333	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M-3H"	-3.021828
"512999"	765.157524	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M-3H"	-3.021828
"887524"	254.380990666667	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-3H"	-3.021828
"2817"	765.157524	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M-2H"	-2.014552
"443470"	1148.239924	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M-2H"	-2.014552
"819446"	382.075124	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-2H"	-2.014552
"80531"	1531.322324	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M-H"	-1.007276
"521914"	2297.487124	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M-H"	-1.007276
"898626"	765.157524	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-H"	-1.007276
"48015"	1548.348871	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M-2H+NH4"	16.019271
"491466"	2314.513671	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M-2H+NH4"	16.019271
"877893"	782.184071	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-2H+NH4"	16.019271
"31899"	1553.304266	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M-2H+Na"	20.974666
"471622"	2319.469066	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M-2H+Na"	20.974666
"848857"	787.139466	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-2H+Na"	20.974666
"1619323"	787.139466	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Na-2H"	20.974666
"94557"	783.145863	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M-H+Cl"	33.962126
"540158"	1166.228263	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M-H+Cl"	33.962126
"932580"	400.063463	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-H+Cl"	33.962126
"267858"	1567.299002	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+Cl"	34.969402
"664659"	2333.463802	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+Cl"	34.969402
"1277060"	801.134202	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Cl"	34.969402
"21805"	1569.278206	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M-2H+K"	36.948606
"465740"	2335.443006	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M-2H+K"	36.948606
"841353"	803.113406	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-2H+K"	36.948606
"1561561"	803.113406	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+K-2H"	36.948606
"951633"	811.162994	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-H+HCOOH"	44.998194
"373130"	1577.327801	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+HCOOH-H"	44.998201
"357014"	1591.343451	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+Hac-H"	59.013851
"1501471"	825.178651	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Hac-H"	59.013851
"970108"	833.144951	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-H+NaCOOH"	66.980151
"121204"	801.134202	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+2Cl"	69.938804
"556019"	1184.216602	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+2Cl"	69.938804
"1029558"	418.051802	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2Cl"	69.938804
"1248406"	845.083685	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Br"	78.918885
"1305749"	847.139672	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Cl+HCOOH"	80.974872
"1324707"	869.121629	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Cl+NaCOOH"	102.956829
"912117"	879.150386	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M-H+CF3COOH"	112.985586
"1294670"	915.127064	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Cl+CF3COOH"	148.962264
"1377208"	731.152124	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H-2H2O"	-35.012676
"1396524"	749.1621	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H-H2O"	-17.0027
"295481"	1533.336876	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+H"	1.007276
"690700"	2299.501676	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+H"	1.007276
"1360973"	767.172076	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H"	1.007276
"130580"	767.172076	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+2H"	2.014552
"570142"	1150.254476	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+2H"	2.014552
"1040397"	384.089676	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2H"	2.014552
"215594"	511.783809333333	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+3H"	3.021828
"656245"	767.172076	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+3H"	3.021828
"1176565"	256.395542666667	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+3H"	3.021828
"438380"	1550.363423	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+NH4"	18.033823
"798643"	2316.528223	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+NH4"	18.033823
"1694611"	784.198623	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+NH4"	18.033823
"342160"	775.6853495	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+H+NH4"	19.041099
"736041"	1158.7677495	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+H+NH4"	19.041099
"1492686"	392.6029495	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H+NH4"	19.041099
"405988"	1555.318818	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+Na"	22.989218
"765888"	2321.483618	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+Na"	22.989218
"1608519"	789.154018	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Na"	22.989218
"324023"	778.163047	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+H+Na"	23.996494
"714259"	1161.245447	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+H+Na"	23.996494
"1475005"	395.080647	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H+Na"	23.996494
"1064606"	263.722856666667	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2H+Na"	25.00377
"1268471"	799.198286	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+CH3OH+H"	33.033486
"389234"	1571.292758	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+K"	38.963158
"750231"	2337.457558	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+K"	38.963158
"1549005"	805.127958	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+K"	38.963158
"308368"	786.150017	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+H+K"	39.970434
"696416"	1169.232417	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+H+K"	39.970434
"1448050"	403.067617	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H+K"	39.970434
"239930"	1574.363426	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+ACN+H"	42.033826
"1211547"	808.198626	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+ACN+H"	42.033826
"1195431"	404.602951	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+ACN+2H"	43.041102
"191582"	1577.30076	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+2Na-H"	44.97116
"628711"	2343.46556	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+2Na-H"	44.97116
"1135743"	811.13596	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2Na-H"	44.97116
"172921"	789.154018	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+2Na"	45.978436
"613849"	1172.236418	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+2Na"	45.978436
"1116628"	406.071618	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2Na"	45.978436
"1398509"	271.050170666667	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H+2Na"	46.985712
"1431909"	813.177546	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H+HCOOH"	47.012746
"225616"	794.18704	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+3H2O+2H"	56.04448
"1512586"	827.22959	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+IsoProp+H"	61.06479
"414462"	797.140988	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+Na+K"	61.952376
"775093"	1180.223388	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+Na+K"	61.952376
"1668509"	414.058588	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Na+K"	61.952376
"253570"	1596.345368	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+ACN+Na"	64.015768
"1230655"	830.180568	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+ACN+Na"	64.015768
"1721728"	830.204093	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+NH4+HCOOH"	64.039293
"1184895"	278.377484666667	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+3Na"	68.967654
"1660261"	835.159488	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Na+HCOOH"	68.994688
"166030"	1609.24864	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+2K-H"	76.91904
"600485"	2375.41344	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+2K-H"	76.91904
"1085846"	843.08384	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2K-H"	76.91904
"142661"	805.127958	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"2M+2K"	77.926316
"585017"	1188.210358	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"3M+2K"	77.926316
"1074273"	422.045558	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2K"	77.926316
"1108577"	845.098392	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2K+H"	78.933592
"1340587"	845.186007	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+DMSO+H"	79.021207
"1009117"	849.225176	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2ACN+H"	83.060376
"1527244"	850.218808	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+IsoProp+Na+H"	84.054008
"991504"	425.116226	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+2ACN+2H"	84.067652
"1590385"	851.133428	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+K+HCOOH"	84.968628
"1417136"	881.164938	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+H+CF3COOH"	115.000138
"1152893"	445.629501	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+3ACN+2H"	125.094202
"1703542"	898.191485	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+NH4+CF3COOH"	132.026685
"1641379"	903.14688	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+Na+CF3COOH"	136.98208
"1573749"	919.12082	"C13129"	"Sultamicillin tosilate;Sultamicillin tosylate"	"C25H30N4O9S2C7H8O3S"	"766.1648"	"M+K+CF3COOH"	152.95602
"809584"	223.1208	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M"	0
"983117"	204.10241	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-H2O-H"	-19.01839
"70269"	147.739924	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M-3H"	-3.021828
"510922"	222.113524	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M-3H"	-3.021828
"884354"	73.366324	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-3H"	-3.021828
"1834"	222.113524	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M-2H"	-2.014552
"442118"	333.673924	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M-2H"	-2.014552
"818584"	110.553124	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-2H"	-2.014552
"78859"	445.234324	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M-H"	-1.007276
"523121"	668.355124	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M-H"	-1.007276
"897643"	222.113524	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-H"	-1.007276
"47438"	462.260871	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M-2H+NH4"	16.019271
"493763"	685.381671	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M-2H+NH4"	16.019271
"874844"	239.140071	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-2H+NH4"	16.019271
"31571"	467.216266	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M-2H+Na"	20.974666
"471608"	690.337066	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M-2H+Na"	20.974666
"849292"	244.095466	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-2H+Na"	20.974666
"1618452"	244.095466	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Na-2H"	20.974666
"94320"	240.101863	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M-H+Cl"	33.962126
"535896"	351.662263	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M-H+Cl"	33.962126
"932690"	128.541463	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-H+Cl"	33.962126
"268332"	481.211002	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+Cl"	34.969402
"664038"	704.331802	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+Cl"	34.969402
"1272812"	258.090202	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Cl"	34.969402
"21184"	483.190206	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M-2H+K"	36.948606
"463663"	706.311006	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M-2H+K"	36.948606
"840370"	260.069406	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-2H+K"	36.948606
"1560211"	260.069406	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+K-2H"	36.948606
"949554"	268.118994	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-H+HCOOH"	44.998194
"371054"	491.239801	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+HCOOH-H"	44.998201
"354938"	505.255451	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+Hac-H"	59.013851
"1499395"	282.134651	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Hac-H"	59.013851
"962923"	290.100951	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-H+NaCOOH"	66.980151
"118033"	258.090202	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+2Cl"	69.938804
"560873"	369.650602	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+2Cl"	69.938804
"1023469"	146.529802	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2Cl"	69.938804
"1247423"	302.039685	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Br"	78.918885
"1304236"	304.095672	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Cl+HCOOH"	80.974872
"1322993"	326.077629	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Cl+NaCOOH"	102.956829
"911364"	336.106386	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M-H+CF3COOH"	112.985586
"1298060"	372.083064	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Cl+CF3COOH"	148.962264
"1377318"	188.108124	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H-2H2O"	-35.012676
"1396634"	206.1181	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H-H2O"	-17.0027
"295591"	447.248876	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+H"	1.007276
"689108"	670.369676	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+H"	1.007276
"1361083"	224.128076	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H"	1.007276
"130690"	224.128076	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+2H"	2.014552
"569157"	335.688476	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+2H"	2.014552
"1040507"	112.567676	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2H"	2.014552
"213515"	149.754476	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+3H"	3.021828
"653075"	224.128076	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+3H"	3.021828
"1177039"	75.380876	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+3H"	3.021828
"435575"	464.275423	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+NH4"	18.033823
"797659"	687.396223	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+NH4"	18.033823
"1695087"	241.154623	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+NH4"	18.033823
"340085"	232.6413495	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+H+NH4"	19.041099
"736514"	344.2017495	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+H+NH4"	19.041099
"1492363"	121.0809495	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H+NH4"	19.041099
"405734"	469.230818	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+Na"	22.989218
"767093"	692.351618	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+Na"	22.989218
"1610816"	246.110018	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Na"	22.989218
"323039"	235.119047	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+H+Na"	23.996494
"716554"	346.679447	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+H+Na"	23.996494
"1473655"	123.558647	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H+Na"	23.996494
"1064714"	82.70819	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2H+Na"	25.00377
"1268581"	256.154286	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+CH3OH+H"	33.033486
"384970"	485.204758	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+K"	38.963158
"745968"	708.325558	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+K"	38.963158
"1549117"	262.083958	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+K"	38.963158
"305201"	243.106017	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+H+K"	39.970434
"695433"	354.666417	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+H+K"	39.970434
"1447067"	131.545617	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H+K"	39.970434
"236761"	488.275426	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+ACN+H"	42.033826
"1213844"	265.154626	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+ACN+H"	42.033826
"1195541"	133.080951	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+ACN+2H"	43.041102
"190964"	491.21276	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+2Na-H"	44.97116
"633440"	714.33356	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+2Na-H"	44.97116
"1135853"	268.09196	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2Na-H"	44.97116
"173185"	246.110018	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+2Na"	45.978436
"614078"	357.670418	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+2Na"	45.978436
"1116368"	134.549618	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2Na"	45.978436
"1399413"	90.035504	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H+2Na"	46.985712
"1430920"	270.133546	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H+HCOOH"	47.012746
"227550"	251.14304	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+3H2O+2H"	56.04448
"1511239"	284.18559	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+IsoProp+H"	61.06479
"410198"	254.096988	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+Na+K"	61.952376
"774110"	365.657388	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+Na+K"	61.952376
"1669348"	142.536588	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Na+K"	61.952376
"254773"	510.257368	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+ACN+Na"	64.015768
"1228578"	287.136568	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+ACN+Na"	64.015768
"1721838"	287.160093	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+NH4+HCOOH"	64.039293
"1187192"	97.362818	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+3Na"	68.967654
"1660371"	292.115488	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Na+HCOOH"	68.994688
"160673"	523.16064	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+2K-H"	76.91904
"600959"	746.28144	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+2K-H"	76.91904
"1086564"	300.03984	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2K-H"	76.91904
"142893"	262.083958	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"2M+2K"	77.926316
"582697"	373.644358	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"3M+2K"	77.926316
"1071100"	150.523558	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2K"	77.926316
"1104313"	302.054392	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2K+H"	78.933592
"1337535"	302.142007	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+DMSO+H"	79.021207
"1009222"	306.181176	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2ACN+H"	83.060376
"1527355"	307.174808	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+IsoProp+Na+H"	84.054008
"990763"	153.594226	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+2ACN+2H"	84.067652
"1589402"	308.089428	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+K+HCOOH"	84.968628
"1415060"	338.120938	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+H+CF3COOH"	115.000138
"1153003"	174.107501	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+3ACN+2H"	125.094202
"1703652"	355.147485	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+NH4+CF3COOH"	132.026685
"1641489"	360.10288	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+Na+CF3COOH"	136.98208
"1573494"	376.07682	"C13138"	"beta-Butoxyethyl nicotinate;Nicoboxil"	"C12H17NO3"	"223.1208"	"M+K+CF3COOH"	152.95602
"809694"	55.9575	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M"	0
"983227"	36.93911	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-H2O-H"	-19.01839
"71472"	36.297724	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M-3H"	-3.021828
"511032"	54.950224	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M-3H"	-3.021828
"884464"	17.645224	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-3H"	-3.021828
"1944"	54.950224	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M-2H"	-2.014552
"441133"	82.928974	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M-2H"	-2.014552
"818573"	26.971474	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-2H"	-2.014552
"79782"	110.907724	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M-H"	-1.007276
"521044"	166.865224	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M-H"	-1.007276
"899940"	54.950224	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-H"	-1.007276
"49210"	127.934271	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M-2H+NH4"	16.019271
"488648"	183.891771	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M-2H+NH4"	16.019271
"874954"	71.976771	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-2H+NH4"	16.019271
"32281"	132.889666	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M-2H+Na"	20.974666
"472206"	188.847166	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M-2H+Na"	20.974666
"849282"	76.932166	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-2H+Na"	20.974666
"1619176"	76.932166	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Na-2H"	20.974666
"95832"	72.938563	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M-H+Cl"	33.962126
"539286"	100.917313	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M-H+Cl"	33.962126
"932800"	44.959813	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-H+Cl"	33.962126
"270267"	146.884402	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+Cl"	34.969402
"664876"	202.841902	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+Cl"	34.969402
"1273633"	90.926902	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Cl"	34.969402
"20200"	148.863606	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M-2H+K"	36.948606
"461582"	204.821106	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M-2H+K"	36.948606
"839388"	92.906106	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-2H+K"	36.948606
"1562143"	92.906106	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+K-2H"	36.948606
"950028"	100.955694	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-H+HCOOH"	44.998194
"368242"	156.913201	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+HCOOH-H"	44.998201
"351765"	170.928851	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+Hac-H"	59.013851
"1501694"	114.971351	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Hac-H"	59.013851
"964127"	122.937651	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-H+NaCOOH"	66.980151
"119602"	90.926902	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+2Cl"	69.938804
"558797"	118.905652	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+2Cl"	69.938804
"1029778"	62.948152	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2Cl"	69.938804
"1249357"	134.876385	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Br"	78.918885
"1305361"	136.932372	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Cl+HCOOH"	80.974872
"1322008"	158.914329	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Cl+NaCOOH"	102.956829
"914891"	168.943086	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M-H+CF3COOH"	112.985586
"1299263"	204.919764	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Cl+CF3COOH"	148.962264
"1377425"	20.944824	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H-2H2O"	-35.012676
"1397719"	38.9548	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H-H2O"	-17.0027
"294609"	112.922276	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+H"	1.007276
"682657"	168.879776	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+H"	1.007276
"1356817"	56.964776	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H"	1.007276
"129340"	56.964776	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+2H"	2.014552
"569992"	84.943526	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+2H"	2.014552
"1043532"	28.986026	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2H"	2.014552
"216907"	38.312276	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+3H"	3.021828
"659876"	56.964776	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+3H"	3.021828
"1177639"	19.659776	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+3H"	3.021828
"438235"	129.948823	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+NH4"	18.033823
"797769"	185.906323	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+NH4"	18.033823
"1696534"	73.991323	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+NH4"	18.033823
"344938"	65.4780495	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+H+NH4"	19.041099
"737354"	93.4567995	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+H+NH4"	19.041099
"1491173"	37.4992995	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H+NH4"	19.041099
"408321"	134.904218	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+Na"	22.989218
"763922"	190.861718	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+Na"	22.989218
"1616393"	78.946718	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Na"	22.989218
"322057"	67.955747	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+H+Na"	23.996494
"715571"	95.934497	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+H+Na"	23.996494
"1471579"	39.976997	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H+Na"	23.996494
"1061542"	26.98709	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2H+Na"	25.00377
"1264319"	88.990986	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+CH3OH+H"	33.033486
"385081"	150.878158	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+K"	38.963158
"748265"	206.835658	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+K"	38.963158
"1552506"	94.920658	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+K"	38.963158
"307497"	75.942717	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+H+K"	39.970434
"695544"	103.921467	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+H+K"	39.970434
"1449364"	47.963967	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H+K"	39.970434
"240151"	153.948826	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+ACN+H"	42.033826
"1211038"	97.991326	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+ACN+H"	42.033826
"1195652"	49.499301	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+ACN+2H"	43.041102
"189735"	156.88616	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+2Na-H"	44.97116
"629170"	212.84366	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+2Na-H"	44.97116
"1132433"	100.92866	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2Na-H"	44.97116
"175609"	78.946718	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+2Na"	45.978436
"613503"	106.925468	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+2Na"	45.978436
"1116357"	50.967968	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2Na"	45.978436
"1399890"	34.314404	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H+2Na"	46.985712
"1430671"	102.970246	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H+HCOOH"	47.012746
"222190"	83.97974	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+3H2O+2H"	56.04448
"1515725"	117.02229	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+IsoProp+H"	61.06479
"415411"	86.933688	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+Na+K"	61.952376
"778596"	114.912438	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+Na+K"	61.952376
"1677113"	58.954938	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Na+K"	61.952376
"257071"	175.930768	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+ACN+Na"	64.015768
"1231968"	119.973268	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+ACN+Na"	64.015768
"1721948"	119.996793	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+NH4+HCOOH"	64.039293
"1188396"	41.641718	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+3Na"	68.967654
"1663033"	124.952188	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Na+HCOOH"	68.994688
"158351"	188.83404	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+2K-H"	76.91904
"599612"	244.79154	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+2K-H"	76.91904
"1087040"	132.87654	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2K-H"	76.91904
"144949"	94.920658	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"2M+2K"	77.926316
"583173"	122.899408	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"3M+2K"	77.926316
"1069753"	66.941908	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2K"	77.926316
"1102356"	134.891092	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2K+H"	78.933592
"1337159"	134.978707	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+DMSO+H"	79.021207
"1007148"	139.017876	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2ACN+H"	83.060376
"1525272"	140.011508	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+IsoProp+Na+H"	84.054008
"991727"	70.012576	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+2ACN+2H"	84.067652
"1589512"	140.926128	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+K+HCOOH"	84.968628
"1415535"	170.957638	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+H+CF3COOH"	115.000138
"1153116"	90.525851	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+3ACN+2H"	125.094202
"1703762"	187.984185	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+NH4+CF3COOH"	132.026685
"1641599"	192.93958	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+Na+CF3COOH"	136.98208
"1575061"	208.91352	"C13140"	"Calcium oxide;Lime"	"CaO"	"55.9575"	"M+K+CF3COOH"	152.95602
"807617"	475.0596	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M"	0
"980054"	456.04121	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-H2O-H"	-19.01839
"78021"	315.699124	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M-3H"	-3.021828
"513329"	474.052324	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M-3H"	-3.021828
"885668"	157.345924	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-3H"	-3.021828
"4240"	474.052324	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M-2H"	-2.014552
"443798"	711.582124	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M-2H"	-2.014552
"821600"	236.522524	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-2H"	-2.014552
"80501"	949.111924	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M-H"	-1.007276
"521154"	1424.171524	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M-H"	-1.007276
"897863"	474.052324	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-H"	-1.007276
"48224"	966.138471	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M-2H+NH4"	16.019271
"490703"	1441.198071	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M-2H+NH4"	16.019271
"869596"	491.078871	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-2H+NH4"	16.019271
"31786"	971.093866	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M-2H+Na"	20.974666
"471833"	1446.153466	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M-2H+Na"	20.974666
"849391"	496.034266	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-2H+Na"	20.974666
"1619082"	496.034266	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Na-2H"	20.974666
"95455"	492.040663	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M-H+Cl"	33.962126
"543769"	729.570463	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M-H+Cl"	33.962126
"932910"	254.510863	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-H+Cl"	33.962126
"272564"	985.088602	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+Cl"	34.969402
"664257"	1460.148202	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+Cl"	34.969402
"1278117"	510.029002	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Cl"	34.969402
"24320"	987.067806	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M-2H+K"	36.948606
"462420"	1462.127406	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M-2H+K"	36.948606
"842776"	512.008206	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-2H+K"	36.948606
"1561524"	512.008206	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+K-2H"	36.948606
"949409"	520.057794	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-H+HCOOH"	44.998194
"369083"	995.117401	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+HCOOH-H"	44.998201
"355154"	1009.133051	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+Hac-H"	59.013851
"1501801"	534.073451	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Hac-H"	59.013851
"963508"	542.039751	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-H+NaCOOH"	66.980151
"120076"	510.029002	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+2Cl"	69.938804
"561093"	747.558802	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+2Cl"	69.938804
"1029888"	272.499202	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2Cl"	69.938804
"1250560"	553.978485	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Br"	78.918885
"1307172"	556.034472	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Cl+HCOOH"	80.974872
"1321025"	578.016429	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Cl+NaCOOH"	102.956829
"911428"	588.045186	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M-H+CF3COOH"	112.985586
"1294999"	624.021864	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Cl+CF3COOH"	148.962264
"1373160"	440.046924	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H-2H2O"	-35.012676
"1390657"	458.0569	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H-H2O"	-17.0027
"294719"	951.126476	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+H"	1.007276
"686047"	1426.186076	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+H"	1.007276
"1358020"	476.066876	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H"	1.007276
"129815"	476.066876	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+2H"	2.014552
"574843"	713.596676	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+2H"	2.014552
"1042549"	238.537076	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2H"	2.014552
"219776"	317.713676	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+3H"	3.021828
"659499"	476.066876	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+3H"	3.021828
"1177995"	159.360476	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+3H"	3.021828
"439317"	968.153023	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+NH4"	18.033823
"798972"	1443.212623	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+NH4"	18.033823
"1695305"	493.093423	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+NH4"	18.033823
"344678"	484.5801495	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+H+NH4"	19.041099
"737099"	722.1099495	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+H+NH4"	19.041099
"1492717"	247.0503495	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H+NH4"	19.041099
"408394"	973.108418	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+Na"	22.989218
"765125"	1448.168018	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+Na"	22.989218
"1614316"	498.048818	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Na"	22.989218
"323260"	487.057847	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+H+Na"	23.996494
"713495"	724.587647	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+H+Na"	23.996494
"1469503"	249.528047	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H+Na"	23.996494
"1060558"	166.68779	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2H+Na"	25.00377
"1261513"	508.093086	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+CH3OH+H"	33.033486
"387377"	989.082358	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+K"	38.963158
"749475"	1464.141958	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+K"	38.963158
"1551523"	514.022758	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+K"	38.963158
"308702"	495.044817	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+H+K"	39.970434
"697839"	732.574617	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+H+K"	39.970434
"1453847"	257.515017	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H+K"	39.970434
"242448"	992.153026	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+ACN+H"	42.033826
"1216250"	517.093426	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+ACN+H"	42.033826
"1197948"	259.050351	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+ACN+2H"	43.041102
"190820"	995.09036	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+2Na-H"	44.97116
"629652"	1470.14996	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+2Na-H"	44.97116
"1131695"	520.03076	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2Na-H"	44.97116
"173043"	498.048818	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+2Na"	45.978436
"613332"	735.578618	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+2Na"	45.978436
"1116225"	260.519018	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2Na"	45.978436
"1398902"	174.015104	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H+2Na"	46.985712
"1431509"	522.072346	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H+HCOOH"	47.012746
"223029"	503.08184	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+3H2O+2H"	56.04448
"1515835"	536.12439	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+IsoProp+H"	61.06479
"415521"	506.035788	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+Na+K"	61.952376
"778706"	743.565588	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+Na+K"	61.952376
"1678317"	268.505988	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Na+K"	61.952376
"258274"	1014.134968	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+ACN+Na"	64.015768
"1236450"	539.075368	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+ACN+Na"	64.015768
"1722058"	539.098893	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+NH4+HCOOH"	64.039293
"1189599"	181.342418	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+3Na"	68.967654
"1663872"	544.054288	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Na+HCOOH"	68.994688
"160893"	1027.03824	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+2K-H"	76.91904
"603733"	1502.09784	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+2K-H"	76.91904
"1094807"	551.97864	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2K-H"	76.91904
"143966"	514.022758	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"2M+2K"	77.926316
"587903"	751.552558	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"3M+2K"	77.926316
"1070352"	276.492958	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2K"	77.926316
"1106719"	553.993192	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2K+H"	78.933592
"1338728"	554.080807	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+DMSO+H"	79.021207
"1008352"	558.119976	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2ACN+H"	83.060376
"1524895"	559.113608	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+IsoProp+Na+H"	84.054008
"995118"	279.563626	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+2ACN+2H"	84.067652
"1589623"	560.028228	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+K+HCOOH"	84.968628
"1415159"	590.059738	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+H+CF3COOH"	115.000138
"1153226"	300.076901	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+3ACN+2H"	125.094202
"1709339"	607.086285	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+NH4+CF3COOH"	132.026685
"1641709"	612.04168	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+Na+CF3COOH"	136.98208
"1575171"	628.01562	"C13142"	"Cefovecin sodium"	"C17H18N5O6S2Na"	"475.0596"	"M+K+CF3COOH"	152.95602
"806634"	545.011	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M"	0
"977249"	525.99261	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-H2O-H"	-19.01839
"72782"	362.333390666667	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M-3H"	-3.021828
"516719"	544.003724	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M-3H"	-3.021828
"885778"	180.663057333333	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-3H"	-3.021828
"2528"	544.003724	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M-2H"	-2.014552
"443908"	816.509224	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M-2H"	-2.014552
"820617"	271.498224	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-2H"	-2.014552
"83891"	1089.014724	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M-H"	-1.007276
"522357"	1634.025724	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M-H"	-1.007276
"897973"	544.003724	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-H"	-1.007276
"47727"	1106.041271	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M-2H+NH4"	16.019271
"490813"	1651.052271	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M-2H+NH4"	16.019271
"866426"	561.030271	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-2H+NH4"	16.019271
"31734"	1110.996666	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M-2H+Na"	20.974666
"471659"	1656.007666	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M-2H+Na"	20.974666
"848619"	565.985666	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-2H+Na"	20.974666
"1618517"	565.985666	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Na-2H"	20.974666
"95079"	561.992063	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M-H+Cl"	33.962126
"542786"	834.497563	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M-H+Cl"	33.962126
"933020"	289.486563	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-H+Cl"	33.962126
"272675"	1124.991402	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+Cl"	34.969402
"664369"	1670.002402	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+Cl"	34.969402
"1277498"	579.980402	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Cl"	34.969402
"22244"	1126.970606	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M-2H+K"	36.948606
"458521"	1671.981606	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M-2H+K"	36.948606
"840699"	581.959606	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-2H+K"	36.948606
"1559814"	581.959606	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+K-2H"	36.948606
"950977"	590.009194	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-H+HCOOH"	44.998194
"370286"	1135.020201	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+HCOOH-H"	44.998201
"355264"	1149.035851	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+Hac-H"	59.013851
"1500818"	604.024851	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Hac-H"	59.013851
"961792"	611.991151	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-H+NaCOOH"	66.980151
"117268"	579.980402	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+2Cl"	69.938804
"555734"	852.485902	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+2Cl"	69.938804
"1029998"	307.474902	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2Cl"	69.938804
"1250670"	623.929885	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Br"	78.918885
"1306189"	625.985872	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Cl+HCOOH"	80.974872
"1322228"	647.967829	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Cl+NaCOOH"	102.956829
"911503"	657.996586	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M-H+CF3COOH"	112.985586
"1300211"	693.973264	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Cl+CF3COOH"	148.962264
"1373270"	509.998324	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H-2H2O"	-35.012676
"1390767"	528.0083	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H-H2O"	-17.0027
"292641"	1091.029276	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+H"	1.007276
"685064"	1636.040276	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+H"	1.007276
"1357037"	546.018276	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H"	1.007276
"128832"	546.018276	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+2H"	2.014552
"571674"	818.523776	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+2H"	2.014552
"1042659"	273.512776	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2H"	2.014552
"219765"	364.347942666667	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+3H"	3.021828
"659732"	546.018276	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+3H"	3.021828
"1177985"	182.677609333333	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+3H"	3.021828
"436995"	1108.055823	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+NH4"	18.033823
"797989"	1653.066823	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+NH4"	18.033823
"1694685"	563.044823	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+NH4"	18.033823
"345033"	554.5315495	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+H+NH4"	19.041099
"736845"	827.0370495	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+H+NH4"	19.041099
"1492684"	282.0260495	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H+NH4"	19.041099
"408497"	1113.011218	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+Na"	22.989218
"765235"	1658.022218	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+Na"	22.989218
"1618196"	568.000218	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Na"	22.989218
"322277"	557.009247	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+H+Na"	23.996494
"712876"	829.514747	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+H+Na"	23.996494
"1470706"	284.503747	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H+Na"	23.996494
"1059575"	190.004923333333	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2H+Na"	25.00377
"1262716"	578.044486	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+CH3OH+H"	33.033486
"387486"	1128.985158	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+K"	38.963158
"752498"	1673.996158	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+K"	38.963158
"1551634"	583.974158	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+K"	38.963158
"306625"	564.996217	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+H+K"	39.970434
"700136"	837.501717	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+H+K"	39.970434
"1448488"	292.490717	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H+K"	39.970434
"242558"	1132.055826	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+ACN+H"	42.033826
"1216360"	587.044826	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+ACN+H"	42.033826
"1195871"	294.026051	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+ACN+2H"	43.041102
"192023"	1134.99316	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+2Na-H"	44.97116
"629759"	1680.00416	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+2Na-H"	44.97116
"1131762"	589.98216	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2Na-H"	44.97116
"173149"	568.000218	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+2Na"	45.978436
"615267"	840.505718	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+2Na"	45.978436
"1115784"	295.494718	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2Na"	45.978436
"1398644"	197.332237333333	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H+2Na"	46.985712
"1430072"	592.023746	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H+HCOOH"	47.012746
"224232"	573.03324	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+3H2O+2H"	56.04448
"1518132"	606.07579	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+IsoProp+H"	61.06479
"416727"	575.987188	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+Na+K"	61.952376
"775535"	848.492688	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+Na+K"	61.952376
"1678427"	303.481688	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Na+K"	61.952376
"259478"	1154.037768	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+ACN+Na"	64.015768
"1234374"	609.026768	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+ACN+Na"	64.015768
"1722168"	609.050293	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+NH4+HCOOH"	64.039293
"1191896"	204.659551333333	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+3Na"	68.967654
"1663981"	614.005688	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Na+HCOOH"	68.994688
"161002"	1166.94104	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+2K-H"	76.91904
"603843"	1711.95204	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+2K-H"	76.91904
"1096010"	621.93004	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2K-H"	76.91904
"144075"	583.974158	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"2M+2K"	77.926316
"588013"	856.479658	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"3M+2K"	77.926316
"1071433"	311.468658	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2K"	77.926316
"1107922"	623.944592	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2K+H"	78.933592
"1338109"	624.032207	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+DMSO+H"	79.021207
"1008462"	628.071376	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2ACN+H"	83.060376
"1524640"	629.065008	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+IsoProp+Na+H"	84.054008
"995228"	314.539326	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+2ACN+2H"	84.067652
"1593013"	629.979628	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+K+HCOOH"	84.968628
"1419766"	660.011138	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+H+CF3COOH"	115.000138
"1153336"	335.052601	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+3ACN+2H"	125.094202
"1709449"	677.037685	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+NH4+CF3COOH"	132.026685
"1641819"	681.99308	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+Na+CF3COOH"	136.98208
"1575281"	697.96702	"C13143"	"Ceftiofur sodium"	"C19H16N5O7S3Na"	"545.011"	"M+K+CF3COOH"	152.95602
"816464"	264.0666	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M"	0
"976996"	245.04821	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-H2O-H"	-19.01839
"71799"	175.037124	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M-3H"	-3.021828
"516832"	263.059324	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M-3H"	-3.021828
"885888"	87.014924	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-3H"	-3.021828
"3367"	263.059324	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M-2H"	-2.014552
"444019"	395.092624	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M-2H"	-2.014552
"822915"	131.026024	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-2H"	-2.014552
"84001"	527.125924	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M-H"	-1.007276
"524654"	791.192524	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M-H"	-1.007276
"904643"	263.059324	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-H"	-1.007276
"49176"	544.152471	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M-2H+NH4"	16.019271
"494203"	808.219071	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M-2H+NH4"	16.019271
"869816"	280.085871	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-2H+NH4"	16.019271
"32009"	549.107866	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M-2H+Na"	20.974666
"471769"	813.174466	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M-2H+Na"	20.974666
"848622"	285.041266	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-2H+Na"	20.974666
"1618470"	285.041266	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Na-2H"	20.974666
"94302"	281.047663	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M-H+Cl"	33.962126
"542896"	413.080963	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M-H+Cl"	33.962126
"927289"	149.014363	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-H+Cl"	33.962126
"271691"	563.102602	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+Cl"	34.969402
"667395"	827.169202	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+Cl"	34.969402
"1277608"	299.036002	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Cl"	34.969402
"23446"	565.081806	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M-2H+K"	36.948606
"460819"	829.148406	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M-2H+K"	36.948606
"840809"	301.015206	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-2H+K"	36.948606
"1559924"	301.015206	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+K-2H"	36.948606
"948900"	309.064794	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-H+HCOOH"	44.998194
"370396"	573.131401	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+HCOOH-H"	44.998201
"354281"	587.147051	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+Hac-H"	59.013851
"1502021"	323.080451	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Hac-H"	59.013851
"960809"	331.046751	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-H+NaCOOH"	66.980151
"117374"	299.036002	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+2Cl"	69.938804
"558029"	431.069302	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+2Cl"	69.938804
"1029018"	167.002702	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2Cl"	69.938804
"1247500"	342.985485	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Br"	78.918885
"1311043"	345.041472	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Cl+HCOOH"	80.974872
"1328539"	367.023429	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Cl+NaCOOH"	102.956829
"917410"	377.052186	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M-H+CF3COOH"	112.985586
"1300685"	413.028864	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Cl+CF3COOH"	148.962264
"1376660"	229.053924	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H-2H2O"	-35.012676
"1389784"	247.0639	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H-H2O"	-17.0027
"292751"	529.140476	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+H"	1.007276
"684081"	793.207076	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+H"	1.007276
"1358240"	265.073876	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H"	1.007276
"130035"	265.073876	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+2H"	2.014552
"571784"	397.107176	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+2H"	2.014552
"1046049"	133.040576	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2H"	2.014552
"218577"	177.051676	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+3H"	3.021828
"658629"	265.073876	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+3H"	3.021828
"1177246"	89.029476	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+3H"	3.021828
"439053"	546.167023	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+NH4"	18.033823
"800900"	810.233623	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+NH4"	18.033823
"1695898"	282.100423	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+NH4"	18.033823
"344659"	273.5871495	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+H+NH4"	19.041099
"738299"	405.6204495	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+H+NH4"	19.041099
"1492237"	141.5538495	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H+NH4"	19.041099
"408004"	551.122418	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+Na"	22.989218
"769120"	815.189018	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+Na"	22.989218
"1615630"	287.055818	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Na"	22.989218
"326761"	276.064847	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+H+Na"	23.996494
"716996"	408.098147	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+H+Na"	23.996494
"1474096"	144.031547	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H+Na"	23.996494
"1060780"	96.35679	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2H+Na"	25.00377
"1264649"	297.100086	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+CH3OH+H"	33.033486
"384317"	567.096358	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+K"	38.963158
"750784"	831.162958	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+K"	38.963158
"1552475"	303.029758	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+K"	38.963158
"305642"	284.051817	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+H+K"	39.970434
"699153"	416.085117	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+H+K"	39.970434
"1450785"	152.018517	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H+K"	39.970434
"242668"	570.167026	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+ACN+H"	42.033826
"1214284"	306.100426	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+ACN+H"	42.033826
"1195982"	153.553851	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+ACN+2H"	43.041102
"189337"	573.10436	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+2Na-H"	44.97116
"628606"	837.17096	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+2Na-H"	44.97116
"1131714"	309.03776	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2Na-H"	44.97116
"173871"	287.055818	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+2Na"	45.978436
"613431"	419.089118	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+2Na"	45.978436
"1117910"	155.022518	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2Na"	45.978436
"1400344"	103.684104	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H+2Na"	46.985712
"1429901"	311.079346	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H+HCOOH"	47.012746
"220097"	292.08884	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+3H2O+2H"	56.04448
"1520428"	325.13139	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+IsoProp+H"	61.06479
"420117"	295.042788	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+Na+K"	61.952376
"774553"	427.076088	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+Na+K"	61.952376
"1676350"	163.009488	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Na+K"	61.952376
"261777"	592.148968	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+ACN+Na"	64.015768
"1237769"	328.082368	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+ACN+Na"	64.015768
"1723374"	328.105893	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+NH4+HCOOH"	64.039293
"1190915"	111.011418	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+3Na"	68.967654
"1663727"	333.061288	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Na+HCOOH"	68.994688
"163301"	605.05224	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+2K-H"	76.91904
"603954"	869.11884	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+2K-H"	76.91904
"1092841"	340.98564	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2K-H"	76.91904
"143457"	303.029758	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"2M+2K"	77.926316
"588123"	435.063058	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"3M+2K"	77.926316
"1073731"	170.996458	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2K"	77.926316
"1104752"	343.000192	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2K+H"	78.933592
"1338946"	343.087807	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+DMSO+H"	79.021207
"1007478"	347.126976	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2ACN+H"	83.060376
"1525602"	348.120608	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+IsoProp+Na+H"	84.054008
"995338"	174.067126	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+2ACN+2H"	84.067652
"1589841"	349.035228	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+K+HCOOH"	84.968628
"1420967"	379.066738	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+H+CF3COOH"	115.000138
"1152349"	194.580401	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+3ACN+2H"	125.094202
"1704092"	396.093285	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+NH4+CF3COOH"	132.026685
"1641929"	401.04868	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+Na+CF3COOH"	136.98208
"1577578"	417.02262	"C13144"	"Ozagrel hydrochloride"	"C13H12N2O2HCl"	"264.0666"	"M+K+CF3COOH"	152.95602
"815602"	402.2406	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M"	0
"976012"	383.22221	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-H2O-H"	-19.01839
"69722"	267.153124	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M-3H"	-3.021828
"516943"	401.233324	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M-3H"	-3.021828
"889279"	133.072924	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-3H"	-3.021828
"4570"	401.233324	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M-2H"	-2.014552
"446316"	602.353624	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M-2H"	-2.014552
"826305"	200.113024	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-2H"	-2.014552
"88485"	803.473924	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M-H"	-1.007276
"526951"	1205.714524	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M-H"	-1.007276
"900379"	401.233324	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-H"	-1.007276
"50744"	820.500471	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M-2H+NH4"	16.019271
"493220"	1222.741071	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M-2H+NH4"	16.019271
"869927"	418.259871	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-2H+NH4"	16.019271
"32726"	825.455866	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M-2H+Na"	20.974666
"471837"	1227.696466	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M-2H+Na"	20.974666
"848617"	423.215266	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-2H+Na"	20.974666
"1618970"	423.215266	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Na-2H"	20.974666
"94345"	419.221663	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M-H+Cl"	33.962126
"535348"	620.341963	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M-H+Cl"	33.962126
"927073"	218.101363	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-H+Cl"	33.962126
"273988"	839.450602	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+Cl"	34.969402
"669692"	1241.691202	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+Cl"	34.969402
"1277718"	437.210002	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Cl"	34.969402
"20275"	841.429806	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M-2H+K"	36.948606
"458376"	1243.670406	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M-2H+K"	36.948606
"840919"	439.189206	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-2H+K"	36.948606
"1558937"	439.189206	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+K-2H"	36.948606
"947917"	447.238794	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-H+HCOOH"	44.998194
"370506"	849.479401	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+HCOOH-H"	44.998201
"350015"	863.495051	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+Hac-H"	59.013851
"1503222"	461.254451	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Hac-H"	59.013851
"968579"	469.220751	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-H+NaCOOH"	66.980151
"118578"	437.210002	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+2Cl"	69.938804
"560328"	638.330302	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+2Cl"	69.938804
"1030221"	236.089702	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2Cl"	69.938804
"1252713"	481.159485	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Br"	78.918885
"1315528"	483.215472	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Cl+HCOOH"	80.974872
"1333027"	505.197429	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Cl+NaCOOH"	102.956829
"920800"	515.226186	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M-H+CF3COOH"	112.985586
"1298609"	551.202864	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Cl+CF3COOH"	148.962264
"1377863"	367.227924	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H-2H2O"	-35.012676
"1386613"	385.2379	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H-H2O"	-17.0027
"291767"	805.488476	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+H"	1.007276
"687469"	1207.729076	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+H"	1.007276
"1352884"	403.247876	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H"	1.007276
"126254"	403.247876	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+2H"	2.014552
"572987"	604.368176	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+2H"	2.014552
"1042880"	202.127576	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2H"	2.014552
"219461"	269.167676	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+3H"	3.021828
"658620"	403.247876	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+3H"	3.021828
"1178084"	135.087476	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+3H"	3.021828
"438924"	822.515023	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+NH4"	18.033823
"800525"	1224.755623	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+NH4"	18.033823
"1696128"	420.274423	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+NH4"	18.033823
"344527"	411.7611495	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+H+NH4"	19.041099
"737805"	612.8814495	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+H+NH4"	19.041099
"1491745"	210.6408495	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H+NH4"	19.041099
"407753"	827.470418	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+Na"	22.989218
"768862"	1229.711018	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+Na"	22.989218
"1615741"	425.229818	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Na"	22.989218
"327240"	414.238847	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+H+Na"	23.996494
"718200"	615.359147	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+H+Na"	23.996494
"1470926"	213.118547	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H+Na"	23.996494
"1060891"	142.41479	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2H+Na"	25.00377
"1265852"	435.274086	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+CH3OH+H"	33.033486
"384426"	843.444358	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+K"	38.963158
"751626"	1245.684958	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+K"	38.963158
"1552948"	441.203758	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+K"	38.963158
"304658"	422.225817	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+H+K"	39.970434
"695982"	623.346117	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+H+K"	39.970434
"1454178"	221.105517	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H+K"	39.970434
"243872"	846.515026	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+ACN+H"	42.033826
"1211115"	444.274426	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+ACN+H"	42.033826
"1196090"	222.640851	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+ACN+2H"	43.041102
"190421"	849.45236	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+2Na-H"	44.97116
"631801"	1251.69296	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+2Na-H"	44.97116
"1135307"	447.21176	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2Na-H"	44.97116
"176412"	425.229818	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+2Na"	45.978436
"617065"	626.350118	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+2Na"	45.978436
"1119478"	224.109518	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2Na"	45.978436
"1402640"	149.742104	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H+2Na"	46.985712
"1430215"	449.253346	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H+HCOOH"	47.012746
"220023"	430.26284	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+3H2O+2H"	56.04448
"1518352"	463.30539	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+IsoProp+H"	61.06479
"419134"	433.216788	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+Na+K"	61.952376
"780128"	634.337088	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+Na+K"	61.952376
"1673179"	232.096488	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Na+K"	61.952376
"260792"	868.496968	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+ACN+Na"	64.015768
"1236783"	466.256368	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+ACN+Na"	64.015768
"1725670"	466.279893	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+NH4+HCOOH"	64.039293
"1189931"	157.069418	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+3Na"	68.967654
"1660557"	471.235288	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Na+HCOOH"	68.994688
"163412"	881.40024	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+2K-H"	76.91904
"599689"	1283.64084	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+2K-H"	76.91904
"1090764"	479.15964	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2K-H"	76.91904
"142838"	441.203758	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"2M+2K"	77.926316
"584953"	642.324058	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"3M+2K"	77.926316
"1070561"	240.083458	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2K"	77.926316
"1100121"	481.174192	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2K+H"	78.933592
"1335979"	481.261807	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+DMSO+H"	79.021207
"1006169"	485.300976	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2ACN+H"	83.060376
"1524619"	486.294608	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+IsoProp+Na+H"	84.054008
"992166"	243.154126	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+2ACN+2H"	84.067652
"1593232"	487.209228	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+K+HCOOH"	84.968628
"1421077"	517.240738	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+H+CF3COOH"	115.000138
"1150637"	263.667401	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+3ACN+2H"	125.094202
"1707480"	534.267285	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+NH4+CF3COOH"	132.026685
"1642039"	539.22268	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+Na+CF3COOH"	136.98208
"1573314"	555.19662	"C13154"	"Dehydrocholic acid;3712-Triketo-5beta-cholanoic acid"	"C24H34O5"	"402.2406"	"M+K+CF3COOH"	152.95602
"815348"	673.3145	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M"	0
"983777"	654.29611	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H2O-H"	-19.01839
"78291"	447.869057333333	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-3H"	-3.021828
"506121"	672.307224	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-3H"	-3.021828
"885013"	223.430890666667	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-3H"	-3.021828
"4680"	672.307224	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H"	-2.014552
"447520"	1008.964474	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H"	-2.014552
"828603"	335.649974	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H"	-2.014552
"89689"	1345.621724	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-H"	-1.007276
"528155"	2018.936224	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-H"	-1.007276
"907779"	672.307224	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H"	-1.007276
"51583"	1362.648271	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H+NH4"	16.019271
"496611"	2035.962771	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H+NH4"	16.019271
"872224"	689.333771	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H+NH4"	16.019271
"36846"	1367.603666	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H+Na"	20.974666
"476407"	2040.918166	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H+Na"	20.974666
"854209"	694.289166	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H+Na"	20.974666
"1620462"	694.289166	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na-2H"	20.974666
"94674"	690.295563	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-H+Cl"	33.962126
"543117"	1026.952813	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-H+Cl"	33.962126
"930072"	353.638313	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+Cl"	33.962126
"270818"	1381.598402	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Cl"	34.969402
"673691"	2054.912902	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+Cl"	34.969402
"1281110"	708.283902	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl"	34.969402
"24759"	1383.577606	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H+K"	36.948606
"463225"	2056.892106	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H+K"	36.948606
"837748"	710.263106	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H+K"	36.948606
"1561236"	710.263106	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K-2H"	36.948606
"948027"	718.312694	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+HCOOH"	44.998194
"365147"	1391.627201	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+HCOOH-H"	44.998201
"353770"	1405.642851	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Hac-H"	59.013851
"1501507"	732.328351	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Hac-H"	59.013851
"963220"	740.294651	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+NaCOOH"	66.980151
"119418"	708.283902	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2Cl"	69.938804
"557155"	1044.941152	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2Cl"	69.938804
"1028142"	371.626652	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2Cl"	69.938804
"1247725"	752.233385	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Br"	78.918885
"1319285"	754.289372	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl+HCOOH"	80.974872
"1334958"	776.271329	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl+NaCOOH"	102.956829
"920914"	786.300086	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+CF3COOH"	112.985586
"1298715"	822.276764	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl+CF3COOH"	148.962264
"1379066"	638.301824	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H-2H2O"	-35.012676
"1392190"	656.3118	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H-H2O"	-17.0027
"288595"	1347.636276	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H"	1.007276
"678832"	2020.950776	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H"	1.007276
"1354086"	674.321776	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H"	1.007276
"129162"	674.321776	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2H"	2.014552
"573099"	1010.979026	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2H"	2.014552
"1046273"	337.664526	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2H"	2.014552
"219922"	449.883609333333	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+3H"	3.021828
"659094"	674.321776	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+3H"	3.021828
"1177718"	225.445442666667	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+3H"	3.021828
"439928"	1364.662823	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+NH4"	18.033823
"801082"	2037.977323	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+NH4"	18.033823
"1696482"	691.348323	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+NH4"	18.033823
"345367"	682.8350495	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H+NH4"	19.041099
"737907"	1019.4922995	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H+NH4"	19.041099
"1492487"	346.1777995	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+NH4"	19.041099
"407851"	1369.618218	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Na"	22.989218
"765568"	2042.932718	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+Na"	22.989218
"1614759"	696.303718	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na"	22.989218
"324796"	685.312747	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H+Na"	23.996494
"715032"	1021.969997	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H+Na"	23.996494
"1466665"	348.655497	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+Na"	23.996494
"1057725"	232.772756666667	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2H+Na"	25.00377
"1262684"	706.347986	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+CH3OH+H"	33.033486
"387821"	1385.592158	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+K"	38.963158
"753076"	2058.906658	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+K"	38.963158
"1549779"	712.277658	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K"	38.963158
"309140"	693.299717	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H+K"	39.970434
"704480"	1029.956967	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H+K"	39.970434
"1456477"	356.642467	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+K"	39.970434
"241798"	1388.662826	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+ACN+H"	42.033826
"1217784"	715.348326	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+ACN+H"	42.033826
"1202761"	358.177801	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+ACN+2H"	43.041102
"194538"	1391.60016	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2Na-H"	44.97116
"638473"	2064.91466	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2Na-H"	44.97116
"1142343"	718.28566	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2Na-H"	44.97116
"176520"	696.303718	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2Na"	45.978436
"614137"	1032.960968	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2Na"	45.978436
"1116788"	359.646468	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2Na"	45.978436
"1398734"	240.100070666667	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+2Na"	46.985712
"1429998"	720.327246	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+HCOOH"	47.012746
"223476"	701.33674	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+3H2O+2H"	56.04448
"1511903"	734.37929	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+IsoProp+H"	61.06479
"410494"	704.290688	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Na+K"	61.952376
"770882"	1040.947938	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+Na+K"	61.952376
"1668915"	367.633438	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na+K"	61.952376
"259811"	1410.644768	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+ACN+Na"	64.015768
"1237987"	737.330268	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+ACN+Na"	64.015768
"1723594"	737.353793	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+NH4+HCOOH"	64.039293
"1188952"	247.427384666667	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+3Na"	68.967654
"1651188"	742.309188	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na+HCOOH"	68.994688
"157191"	1423.54804	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2K-H"	76.91904
"599798"	2096.86254	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2K-H"	76.91904
"1088320"	750.23354	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2K-H"	76.91904
"142941"	712.277658	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2K"	77.926316
"585062"	1048.934908	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2K"	77.926316
"1069695"	375.620408	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2K"	77.926316
"1107158"	752.248092	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2K+H"	78.933592
"1335926"	752.335707	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+DMSO+H"	79.021207
"1007090"	756.374876	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2ACN+H"	83.060376
"1524230"	757.368508	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+IsoProp+Na+H"	84.054008
"995556"	378.691076	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2ACN+2H"	84.067652
"1590060"	758.283128	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K+HCOOH"	84.968628
"1421187"	788.314638	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+CF3COOH"	115.000138
"1150383"	399.204351	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+3ACN+2H"	125.094202
"1707590"	805.341185	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+NH4+CF3COOH"	132.026685
"1642149"	810.29658	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na+CF3COOH"	136.98208
"1573059"	826.27052	"C13167"	"Dihydro-alpha-ergocryptine mesylate;910alpha-Dihydro-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3618-trione monomethanesulphonate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K+CF3COOH"	152.95602
"813635"	707.2989	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M"	0
"979512"	688.28051	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-H2O-H"	-19.01839
"71041"	470.525324	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M-3H"	-3.021828
"504529"	706.291624	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M-3H"	-3.021828
"880384"	234.759024	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-3H"	-3.021828
"1874"	706.291624	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M-2H"	-2.014552
"441434"	1059.941074	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M-2H"	-2.014552
"819601"	352.642174	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-2H"	-2.014552
"82509"	1413.590524	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M-H"	-1.007276
"522070"	2120.889424	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M-H"	-1.007276
"901694"	706.291624	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-H"	-1.007276
"52789"	1430.617071	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M-2H+NH4"	16.019271
"490160"	2137.915971	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M-2H+NH4"	16.019271
"867961"	723.318171	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-2H+NH4"	16.019271
"32579"	1435.572466	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M-2H+Na"	20.974666
"472626"	2142.871366	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M-2H+Na"	20.974666
"848764"	728.273566	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-2H+Na"	20.974666
"1619470"	728.273566	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Na-2H"	20.974666
"95150"	724.279963	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M-H+Cl"	33.962126
"539947"	1077.929413	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M-H+Cl"	33.962126
"929087"	370.630513	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-H+Cl"	33.962126
"277490"	1449.567202	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+Cl"	34.969402
"664444"	2156.866102	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+Cl"	34.969402
"1281220"	742.268302	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Cl"	34.969402
"24871"	1451.546406	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M-2H+K"	36.948606
"470873"	2158.845306	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M-2H+K"	36.948606
"843327"	744.247506	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-2H+K"	36.948606
"1566452"	744.247506	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+K-2H"	36.948606
"953970"	752.297094	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-H+HCOOH"	44.998194
"370362"	1459.596001	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+HCOOH-H"	44.998201
"352423"	1473.611651	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+Hac-H"	59.013851
"1503078"	766.312751	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Hac-H"	59.013851
"965518"	774.279051	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-H+NaCOOH"	66.980151
"118798"	742.268302	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+2Cl"	69.938804
"556173"	1095.917752	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+2Cl"	69.938804
"1024972"	388.618852	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2Cl"	69.938804
"1250019"	786.217785	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Br"	78.918885
"1311373"	788.273772	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Cl+HCOOH"	80.974872
"1328868"	810.255729	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Cl+NaCOOH"	102.956829
"919930"	820.284486	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M-H+CF3COOH"	112.985586
"1298825"	856.261164	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Cl+CF3COOH"	148.962264
"1378083"	672.286224	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H-2H2O"	-35.012676
"1387928"	690.2962	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H-H2O"	-17.0027
"288708"	1415.605076	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+H"	1.007276
"682223"	2122.903976	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+H"	1.007276
"1354197"	708.306176	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H"	1.007276
"138024"	708.306176	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+2H"	2.014552
"580744"	1061.955626	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+2H"	2.014552
"1047477"	354.656726	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2H"	2.014552
"219030"	472.539876	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+3H"	3.021828
"659892"	708.306176	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+3H"	3.021828
"1178070"	236.773576	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+3H"	3.021828
"439382"	1432.631623	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+NH4"	18.033823
"800377"	2139.930523	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+NH4"	18.033823
"1695857"	725.332723	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+NH4"	18.033823
"345472"	716.8194495	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+H+NH4"	19.041099
"737287"	1070.4688995	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+H+NH4"	19.041099
"1490013"	363.1699995	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H+NH4"	19.041099
"406508"	1437.587018	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+Na"	22.989218
"763493"	2144.885918	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+Na"	22.989218
"1609403"	730.288118	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Na"	22.989218
"322720"	719.297147	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+H+Na"	23.996494
"717331"	1072.946597	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+H+Na"	23.996494
"1467870"	365.647697	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H+Na"	23.996494
"1060022"	244.10089	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2H+Na"	25.00377
"1266075"	740.332386	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+CH3OH+H"	33.033486
"392307"	1453.560958	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+K"	38.963158
"752944"	2160.859858	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+K"	38.963158
"1550983"	746.262058	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+K"	38.963158
"313260"	727.284117	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+H+K"	39.970434
"705321"	1080.933567	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+H+K"	39.970434
"1457680"	373.634667	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H+K"	39.970434
"243001"	1456.631626	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+ACN+H"	42.033826
"1217894"	749.332726	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+ACN+H"	42.033826
"1205058"	375.170001	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+ACN+2H"	43.041102
"196834"	1459.56896	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+2Na-H"	44.97116
"640770"	2166.86786	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+2Na-H"	44.97116
"1142088"	752.27006	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2Na-H"	44.97116
"177723"	730.288118	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+2Na"	45.978436
"615462"	1083.937568	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+2Na"	45.978436
"1116899"	376.638668	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2Na"	45.978436
"1399577"	251.428204	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H+2Na"	46.985712
"1430352"	754.311646	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H+HCOOH"	47.012746
"223949"	735.32114	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+3H2O+2H"	56.04448
"1515292"	768.36369	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+IsoProp+H"	61.06479
"411698"	738.275088	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+Na+K"	61.952376
"770869"	1091.924538	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+Na+K"	61.952376
"1665820"	384.625638	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Na+K"	61.952376
"256640"	1478.613568	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+ACN+Na"	64.015768
"1231536"	771.314668	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+ACN+Na"	64.015768
"1720422"	771.338193	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+NH4+HCOOH"	64.039293
"1189063"	258.755518	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+3Na"	68.967654
"1654579"	776.293588	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Na+HCOOH"	68.994688
"165819"	1491.51684	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+2K-H"	76.91904
"601371"	2198.81574	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+2K-H"	76.91904
"1088432"	784.21794	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2K-H"	76.91904
"148896"	746.262058	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"2M+2K"	77.926316
"587361"	1099.911508	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"3M+2K"	77.926316
"1072967"	392.612608	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2K"	77.926316
"1100583"	786.232492	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2K+H"	78.933592
"1336484"	786.320107	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+DMSO+H"	79.021207
"1005983"	790.359276	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2ACN+H"	83.060376
"1525938"	791.352908	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+IsoProp+Na+H"	84.054008
"993481"	395.683276	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+2ACN+2H"	84.067652
"1591265"	792.267528	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+K+HCOOH"	84.968628
"1418017"	822.299038	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+H+CF3COOH"	115.000138
"1154870"	416.196551	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+3ACN+2H"	125.094202
"1707702"	839.325585	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+NH4+CF3COOH"	132.026685
"1642259"	844.28098	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+Na+CF3COOH"	136.98208
"1574628"	860.25492	"C13168"	"Dihydroergocristine mesylate"	"C35H41N5O5CH4SO3"	"707.2989"	"M+K+CF3COOH"	152.95602
"815568"	836.5246	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M"	0
"977436"	817.50621	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-H2O-H"	-19.01839
"75524"	556.675790666667	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M-3H"	-3.021828
"503425"	835.517324	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M-3H"	-3.021828
"881344"	277.834257333333	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-3H"	-3.021828
"2714"	835.517324	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M-2H"	-2.014552
"445556"	1253.779624	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M-2H"	-2.014552
"818617"	417.255024	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-2H"	-2.014552
"84442"	1672.041924	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M-H"	-1.007276
"522909"	2508.566524	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M-H"	-1.007276
"901804"	835.517324	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-H"	-1.007276
"49739"	1689.068471	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M-2H+NH4"	16.019271
"490270"	2525.593071	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M-2H+NH4"	16.019271
"871351"	852.543871	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-2H+NH4"	16.019271
"32567"	1694.023866	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M-2H+Na"	20.974666
"472006"	2530.548466	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M-2H+Na"	20.974666
"849442"	857.499266	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-2H+Na"	20.974666
"1619093"	857.499266	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Na-2H"	20.974666
"95257"	853.505663	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M-H+Cl"	33.962126
"540057"	1271.767963	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M-H+Cl"	33.962126
"928833"	435.243363	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-H+Cl"	33.962126
"271038"	1708.018602	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+Cl"	34.969402
"665647"	2544.543202	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+Cl"	34.969402
"1282423"	871.494002	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Cl"	34.969402
"28261"	1709.997806	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M-2H+K"	36.948606
"470010"	2546.522406	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M-2H+K"	36.948606
"844530"	873.473206	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-2H+K"	36.948606
"1566926"	873.473206	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+K-2H"	36.948606
"954808"	881.522794	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-H+HCOOH"	44.998194
"370836"	1718.047401	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+HCOOH-H"	44.998201
"352533"	1732.063051	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+Hac-H"	59.013851
"1504645"	895.538451	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Hac-H"	59.013851
"964534"	903.504751	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-H+NaCOOH"	66.980151
"116721"	871.494002	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+2Cl"	69.938804
"555188"	1289.756302	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+2Cl"	69.938804
"1025080"	453.231702	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2Cl"	69.938804
"1252315"	915.443485	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Br"	78.918885
"1312576"	917.499472	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Cl+HCOOH"	80.974872
"1328978"	939.481429	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Cl+NaCOOH"	102.956829
"917853"	949.510186	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M-H+CF3COOH"	112.985586
"1298571"	985.486864	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Cl+CF3COOH"	148.962264
"1378193"	801.511924	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H-2H2O"	-35.012676
"1388038"	819.5219	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H-H2O"	-17.0027
"288818"	1674.056476	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+H"	1.007276
"682333"	2510.581076	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+H"	1.007276
"1356496"	837.531876	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H"	1.007276
"139227"	837.531876	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+2H"	2.014552
"580855"	1255.794176	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+2H"	2.014552
"1047587"	419.269576	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2H"	2.014552
"218898"	558.690342666667	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+3H"	3.021828
"659928"	837.531876	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+3H"	3.021828
"1178343"	279.848809333333	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+3H"	3.021828
"439616"	1691.083023	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+NH4"	18.033823
"800000"	2527.607623	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+NH4"	18.033823
"1695602"	854.558423	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+NH4"	18.033823
"344976"	846.0451495	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+H+NH4"	19.041099
"737400"	1264.3074495	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+H+NH4"	19.041099
"1490488"	427.7828495	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H+NH4"	19.041099
"403699"	1696.038418	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+Na"	22.989218
"760324"	2532.563018	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+Na"	22.989218
"1610608"	859.513818	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Na"	22.989218
"321737"	848.522847	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+H+Na"	23.996494
"714158"	1266.785147	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+H+Na"	23.996494
"1467980"	430.260547	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H+Na"	23.996494
"1061226"	287.176123333333	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2H+Na"	25.00377
"1263999"	869.558086	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+CH3OH+H"	33.033486
"391689"	1712.012358	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+K"	38.963158
"752686"	2548.536958	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+K"	38.963158
"1552551"	875.487758	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+K"	38.963158
"311915"	856.509817	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+H+K"	39.970434
"705065"	1274.772117	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+H+K"	39.970434
"1456698"	438.247517	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H+K"	39.970434
"242018"	1715.083026	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+ACN+H"	42.033826
"1220191"	878.558426	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+ACN+H"	42.033826
"1205897"	439.782851	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+ACN+2H"	43.041102
"195852"	1718.02036	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+2Na-H"	44.97116
"634318"	2554.54496	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+2Na-H"	44.97116
"1138918"	881.49576	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2Na-H"	44.97116
"178199"	859.513818	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+2Na"	45.978436
"615938"	1277.776118	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+2Na"	45.978436
"1117375"	441.251518	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2Na"	45.978436
"1401509"	294.503437333333	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H+2Na"	46.985712
"1432530"	883.537346	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H+HCOOH"	47.012746
"223330"	864.54684	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+3H2O+2H"	56.04448
"1510420"	897.58939	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+IsoProp+H"	61.06479
"409164"	867.500788	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+Na+K"	61.952376
"770612"	1285.763088	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+Na+K"	61.952376
"1666005"	449.238488	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Na+K"	61.952376
"257843"	1737.064968	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+ACN+Na"	64.015768
"1231645"	900.540368	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+ACN+Na"	64.015768
"1718344"	900.563893	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+NH4+HCOOH"	64.039293
"1186988"	301.830751333333	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+3Na"	68.967654
"1654690"	905.519288	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Na+HCOOH"	68.994688
"163741"	1749.96824	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+2K-H"	76.91904
"603303"	2586.49284	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+2K-H"	76.91904
"1086719"	913.44364	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2K-H"	76.91904
"149006"	875.487758	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"2M+2K"	77.926316
"585283"	1293.750058	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"3M+2K"	77.926316
"1073076"	457.225458	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2K"	77.926316
"1100326"	915.458192	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2K+H"	78.933592
"1336105"	915.545807	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+DMSO+H"	79.021207
"1006210"	919.584976	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2ACN+H"	83.060376
"1525439"	920.578608	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+IsoProp+Na+H"	84.054008
"993591"	460.296126	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+2ACN+2H"	84.067652
"1591376"	921.493228	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+K+HCOOH"	84.968628
"1417034"	951.524738	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+H+CF3COOH"	115.000138
"1154980"	480.809401	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+3ACN+2H"	125.094202
"1709999"	968.551285	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+NH4+CF3COOH"	132.026685
"1642369"	973.50668	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+Na+CF3COOH"	136.98208
"1576925"	989.48062	"C13173"	"Roxithromycin"	"C41H76N2O15"	"836.5246"	"M+K+CF3COOH"	152.95602
"813855"	369.13	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M"	0
"980826"	350.11161	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-H2O-H"	-19.01839
"66157"	245.079390666667	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M-3H"	-3.021828
"504264"	368.122724	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M-3H"	-3.021828
"881819"	122.036057333333	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-3H"	-3.021828
"5012"	368.122724	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M-2H"	-2.014552
"444937"	552.687724	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M-2H"	-2.014552
"820915"	183.557724	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-2H"	-2.014552
"83093"	737.252724	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M-H"	-1.007276
"521924"	1106.382724	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M-H"	-1.007276
"899362"	368.122724	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-H"	-1.007276
"51184"	754.279271	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M-2H+NH4"	16.019271
"487232"	1123.409271	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M-2H+NH4"	16.019271
"870368"	385.149271	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-2H+NH4"	16.019271
"31740"	759.234666	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M-2H+Na"	20.974666
"471461"	1128.364666	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M-2H+Na"	20.974666
"848611"	390.104666	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-2H+Na"	20.974666
"1619328"	390.104666	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Na-2H"	20.974666
"94355"	386.111063	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M-H+Cl"	33.962126
"540167"	570.676063	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M-H+Cl"	33.962126
"928943"	201.546063	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-H+Cl"	33.962126
"268232"	773.229402	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+Cl"	34.969402
"664664"	1142.359402	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+Cl"	34.969402
"1279253"	404.099402	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Cl"	34.969402
"25091"	775.208606	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M-2H+K"	36.948606
"469756"	1144.338606	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M-2H+K"	36.948606
"843547"	406.078606	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-2H+K"	36.948606
"1567036"	406.078606	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+K-2H"	36.948606
"953825"	414.128194	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-H+HCOOH"	44.998194
"369853"	783.258201	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+HCOOH-H"	44.998201
"352643"	797.273851	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+Hac-H"	59.013851
"1504755"	428.143851	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Hac-H"	59.013851
"964644"	436.110151	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-H+NaCOOH"	66.980151
"116831"	404.099402	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+2Cl"	69.938804
"554205"	588.664402	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+2Cl"	69.938804
"1023369"	219.534402	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2Cl"	69.938804
"1252425"	448.048885	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Br"	78.918885
"1312686"	450.104872	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Cl+HCOOH"	80.974872
"1329088"	472.086829	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Cl+NaCOOH"	102.956829
"917963"	482.115586	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M-H+CF3COOH"	112.985586
"1299045"	518.092264	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Cl+CF3COOH"	148.962264
"1378303"	334.117324	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H-2H2O"	-35.012676
"1388148"	352.1273	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H-H2O"	-17.0027
"288928"	739.267276	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+H"	1.007276
"682443"	1108.397276	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+H"	1.007276
"1357699"	370.137276	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H"	1.007276
"138244"	370.137276	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+2H"	2.014552
"578898"	554.702276	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+2H"	2.014552
"1048790"	185.572276	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2H"	2.014552
"219492"	247.093942666667	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+3H"	3.021828
"659592"	370.137276	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+3H"	3.021828
"1178168"	124.050609333333	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+3H"	3.021828
"438993"	756.293823	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+NH4"	18.033823
"800960"	1125.423823	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+NH4"	18.033823
"1693889"	387.163823	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+NH4"	18.033823
"344355"	378.6505495	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+H+NH4"	19.041099
"737872"	563.2155495	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+H+NH4"	19.041099
"1490597"	194.0855495	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H+NH4"	19.041099
"405994"	761.249218	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+Na"	22.989218
"765900"	1130.379218	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+Na"	22.989218
"1613998"	392.119218	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Na"	22.989218
"324031"	381.128247	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+H+Na"	23.996494
"712082"	565.693247	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+H+Na"	23.996494
"1468090"	196.563247	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H+Na"	23.996494
"1059148"	131.377923333333	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2H+Na"	25.00377
"1264108"	402.163486	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+CH3OH+H"	33.033486
"391068"	777.223158	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+K"	38.963158
"753158"	1146.353158	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+K"	38.963158
"1554117"	408.093158	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+K"	38.963158
"312754"	389.115217	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+H+K"	39.970434
"703718"	573.680217	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+H+K"	39.970434
"1455714"	204.550217	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H+K"	39.970434
"239941"	780.293826	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+ACN+H"	42.033826
"1221030"	411.163826	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+ACN+H"	42.033826
"1202727"	206.085551	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+ACN+2H"	43.041102
"195962"	783.23116	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+2Na-H"	44.97116
"633335"	1152.36116	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+2Na-H"	44.97116
"1139028"	414.10116	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2Na-H"	44.97116
"179767"	392.119218	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+2Na"	45.978436
"613860"	576.684218	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+2Na"	45.978436
"1117363"	207.554218	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2Na"	45.978436
"1399674"	138.705237333333	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H+2Na"	46.985712
"1432275"	416.142746	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H+HCOOH"	47.012746
"224533"	397.15224	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+3H2O+2H"	56.04448
"1510409"	430.19479	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+IsoProp+H"	61.06479
"409724"	400.106188	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+Na+K"	61.952376
"771210"	584.671188	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+Na+K"	61.952376
"1666322"	215.541188	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Na+K"	61.952376
"257953"	802.275768	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+ACN+Na"	64.015768
"1232848"	433.145768	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+ACN+Na"	64.015768
"1718454"	433.169293	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+NH4+HCOOH"	64.039293
"1189282"	146.032551333333	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+3Na"	68.967654
"1660268"	438.124688	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Na+HCOOH"	68.994688
"162758"	815.17904	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+2K-H"	76.91904
"600249"	1184.30904	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+2K-H"	76.91904
"1089017"	446.04904	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2K-H"	76.91904
"150208"	408.093158	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"2M+2K"	77.926316
"585393"	592.658158	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"3M+2K"	77.926316
"1073186"	223.528158	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2K"	77.926316
"1100676"	448.063592	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2K+H"	78.933592
"1336336"	448.151207	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+DMSO+H"	79.021207
"1006320"	452.190376	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2ACN+H"	83.060376
"1526279"	453.184008	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+IsoProp+Na+H"	84.054008
"993701"	226.598826	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+2ACN+2H"	84.067652
"1592580"	454.098628	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+K+HCOOH"	84.968628
"1417144"	484.130138	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+H+CF3COOH"	115.000138
"1156183"	247.112101	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+3ACN+2H"	125.094202
"1709016"	501.156685	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+NH4+CF3COOH"	132.026685
"1642479"	506.11208	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+Na+CF3COOH"	136.98208
"1577035"	522.08602	"C13179"	"Fleroxacin"	"C17H18F3N3O3"	"369.13"	"M+K+CF3COOH"	152.95602
"813965"	445.1768	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M"	0
"977656"	426.15841	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-H2O-H"	-19.01839
"65903"	295.777257333333	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M-3H"	-3.021828
"502839"	444.169524	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M-3H"	-3.021828
"880038"	147.384990666667	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-3H"	-3.021828
"1963"	444.169524	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M-2H"	-2.014552
"444683"	666.757924	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M-2H"	-2.014552
"818110"	221.581124	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-2H"	-2.014552
"80288"	889.346324	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M-H"	-1.007276
"518530"	1334.523124	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M-H"	-1.007276
"895987"	444.169524	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-H"	-1.007276
"47892"	906.372871	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M-2H+NH4"	16.019271
"487813"	1351.549671	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M-2H+NH4"	16.019271
"865011"	461.196071	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-2H+NH4"	16.019271
"31461"	911.328266	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M-2H+Na"	20.974666
"471489"	1356.505066	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M-2H+Na"	20.974666
"848545"	466.151466	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-2H+Na"	20.974666
"1618582"	466.151466	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Na-2H"	20.974666
"94382"	462.157863	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M-H+Cl"	33.962126
"535173"	684.746263	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M-H+Cl"	33.962126
"927830"	239.569463	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-H+Cl"	33.962126
"272350"	925.323002	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+Cl"	34.969402
"665864"	1370.499802	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+Cl"	34.969402
"1275717"	480.146202	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Cl"	34.969402
"18636"	927.302206	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M-2H+K"	36.948606
"461481"	1372.479006	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M-2H+K"	36.948606
"839281"	482.125406	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-2H+K"	36.948606
"1560584"	482.125406	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+K-2H"	36.948606
"950654"	490.174994	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-H+HCOOH"	44.998194
"364495"	935.351801	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+HCOOH-H"	44.998201
"347286"	949.367451	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+Hac-H"	59.013851
"1494293"	504.190651	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Hac-H"	59.013851
"961474"	512.156951	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-H+NaCOOH"	66.980151
"114754"	480.146202	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+2Cl"	69.938804
"552127"	702.734602	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+2Cl"	69.938804
"1023841"	257.557802	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2Cl"	69.938804
"1249255"	524.095685	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Br"	78.918885
"1306964"	526.151672	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Cl+HCOOH"	80.974872
"1323366"	548.133629	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Cl+NaCOOH"	102.956829
"918073"	558.162386	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M-H+CF3COOH"	112.985586
"1299155"	594.139064	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Cl+CF3COOH"	148.962264
"1378413"	410.164124	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H-2H2O"	-35.012676
"1388258"	428.1741	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H-H2O"	-17.0027
"287945"	891.360876	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+H"	1.007276
"681460"	1336.537676	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+H"	1.007276
"1356716"	446.184076	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H"	1.007276
"138354"	446.184076	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+2H"	2.014552
"572447"	668.772476	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+2H"	2.014552
"1047807"	223.595676	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2H"	2.014552
"217899"	297.791809333333	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+3H"	3.021828
"659367"	446.184076	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+3H"	3.021828
"1178145"	149.399542666667	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+3H"	3.021828
"439714"	908.387423	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+NH4"	18.033823
"799854"	1353.564223	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+NH4"	18.033823
"1696184"	463.210623	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+NH4"	18.033823
"343371"	454.6973495	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+H+NH4"	19.041099
"736885"	677.2857495	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+H+NH4"	19.041099
"1487426"	232.1089495	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H+NH4"	19.041099
"400642"	913.342818	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+Na"	22.989218
"766007"	1358.519618	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+Na"	22.989218
"1609734"	468.166018	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Na"	22.989218
"319767"	457.175047	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+H+Na"	23.996494
"712191"	679.763447	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+H+Na"	23.996494
"1464920"	234.586647	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H+Na"	23.996494
"1058164"	156.726856666667	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2H+Na"	25.00377
"1263125"	478.210286	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+CH3OH+H"	33.033486
"390814"	929.316758	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+K"	38.963158
"751811"	1374.493558	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+K"	38.963158
"1552405"	484.139958	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+K"	38.963158
"311402"	465.162017	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+H+K"	39.970434
"698722"	687.750417	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+H+K"	39.970434
"1451449"	242.573617	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H+K"	39.970434
"244423"	932.387426	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+ACN+H"	42.033826
"1212758"	487.210626	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+ACN+H"	42.033826
"1201743"	244.108951	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+ACN+2H"	43.041102
"193154"	935.32476	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+2Na-H"	44.97116
"633078"	1380.50156	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+2Na-H"	44.97116
"1140231"	490.14796	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2Na-H"	44.97116
"174773"	468.166018	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+2Na"	45.978436
"612864"	690.754418	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+2Na"	45.978436
"1116133"	245.577618	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2Na"	45.978436
"1398685"	164.054170666667	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H+2Na"	46.985712
"1429945"	492.189546	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H+HCOOH"	47.012746
"225372"	473.19904	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+3H2O+2H"	56.04448
"1510519"	506.24159	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+IsoProp+H"	61.06479
"410929"	476.152988	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+Na+K"	61.952376
"771196"	698.741388	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+Na+K"	61.952376
"1666432"	253.564588	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Na+K"	61.952376
"259156"	954.369368	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+ACN+Na"	64.015768
"1230771"	509.192568	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+ACN+Na"	64.015768
"1718564"	509.216093	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+NH4+HCOOH"	64.039293
"1188299"	171.381484666667	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+3Na"	68.967654
"1658192"	514.171488	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Na+HCOOH"	68.994688
"163960"	967.27264	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+2K-H"	76.91904
"599995"	1412.44944	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+2K-H"	76.91904
"1089127"	522.09584	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2K-H"	76.91904
"150318"	484.139958	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"2M+2K"	77.926316
"585503"	706.728358	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"3M+2K"	77.926316
"1072203"	261.551558	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2K"	77.926316
"1100055"	524.110392	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2K+H"	78.933592
"1336446"	524.198007	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+DMSO+H"	79.021207
"1005646"	528.237176	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2ACN+H"	83.060376
"1525538"	529.230808	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+IsoProp+Na+H"	84.054008
"993811"	264.622226	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+2ACN+2H"	84.067652
"1591597"	530.145428	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+K+HCOOH"	84.968628
"1417254"	560.176938	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+H+CF3COOH"	115.000138
"1156293"	285.135501	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+3ACN+2H"	125.094202
"1709126"	577.203485	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+NH4+CF3COOH"	132.026685
"1642589"	582.15888	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+Na+CF3COOH"	136.98208
"1577145"	598.13282	"C13182"	"Benexate hydrochloride"	"C23H27N3O4HCl"	"445.1768"	"M+K+CF3COOH"	152.95602
"814075"	1134.3698	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M"	0
"977766"	1115.35141	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-H2O-H"	-19.01839
"66013"	755.239257333333	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M-3H"	-3.021828
"502927"	1133.362524	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M-3H"	-3.021828
"881554"	377.115990666667	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-3H"	-3.021828
"4866"	1133.362524	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M-2H"	-2.014552
"444426"	1700.547424	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M-2H"	-2.014552
"820406"	566.177624	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-2H"	-2.014552
"80760"	2267.732324	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M-H"	-1.007276
"518971"	3402.102124	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M-H"	-1.007276
"896786"	1133.362524	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-H"	-1.007276
"48122"	2284.758871	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M-2H+NH4"	16.019271
"488533"	3419.128671	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M-2H+NH4"	16.019271
"866213"	1150.389071	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-2H+NH4"	16.019271
"32398"	2289.714266	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M-2H+Na"	20.974666
"472581"	3424.084066	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M-2H+Na"	20.974666
"849274"	1155.344466	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-2H+Na"	20.974666
"1619055"	1155.344466	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Na-2H"	20.974666
"94692"	1151.350863	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M-H+Cl"	33.962126
"534373"	1718.535763	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M-H+Cl"	33.962126
"927401"	584.165963	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-H+Cl"	33.962126
"270270"	2303.709002	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+Cl"	34.969402
"664878"	3438.078802	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+Cl"	34.969402
"1273636"	1169.339202	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Cl"	34.969402
"19475"	2305.688206	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M-2H+K"	36.948606
"458670"	3440.058006	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M-2H+K"	36.948606
"835741"	1171.318406	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-2H+K"	36.948606
"1559601"	1171.318406	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+K-2H"	36.948606
"945660"	1179.367994	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-H+HCOOH"	44.998194
"362414"	2313.737801	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+HCOOH-H"	44.998201
"346011"	2327.753451	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+Hac-H"	59.013851
"1494034"	1193.383651	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Hac-H"	59.013851
"961947"	1201.349951	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-H+NaCOOH"	66.980151
"113402"	1169.339202	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+2Cl"	69.938804
"551138"	1736.524102	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+2Cl"	69.938804
"1022854"	602.154302	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2Cl"	69.938804
"1244622"	1213.288685	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Br"	78.918885
"1305245"	1215.344672	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Cl+HCOOH"	80.974872
"1322745"	1237.326629	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Cl+NaCOOH"	102.956829
"918183"	1247.355386	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M-H+CF3COOH"	112.985586
"1298172"	1283.332064	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Cl+CF3COOH"	148.962264
"1376336"	1099.357124	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H-2H2O"	-35.012676
"1386181"	1117.3671	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H-H2O"	-17.0027
"289148"	2269.746876	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+H"	1.007276
"682663"	3404.116676	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+H"	1.007276
"1355732"	1135.377076	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H"	1.007276
"130809"	1135.377076	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+2H"	2.014552
"570367"	1702.561976	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+2H"	2.014552
"1046823"	568.192176	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2H"	2.014552
"218372"	757.253809333333	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+3H"	3.021828
"658910"	1135.377076	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+3H"	3.021828
"1178176"	379.130542666667	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+3H"	3.021828
"438608"	2286.773423	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+NH4"	18.033823
"799598"	3421.143223	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+NH4"	18.033823
"1696052"	1152.403623	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+NH4"	18.033823
"345143"	1143.8903495	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+H+NH4"	19.041099
"737849"	1711.0752495	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+H+NH4"	19.041099
"1489720"	576.7054495	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H+NH4"	19.041099
"404029"	2291.728818	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+Na"	22.989218
"765024"	3426.098618	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+Na"	22.989218
"1614215"	1157.359018	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Na"	22.989218
"316597"	1146.368047	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+H+Na"	23.996494
"713394"	1713.552947	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+H+Na"	23.996494
"1466122"	579.183147	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H+Na"	23.996494
"1059367"	386.457856666667	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2H+Na"	25.00377
"1262141"	1167.403286	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+CH3OH+H"	33.033486
"387278"	2307.702758	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+K"	38.963158
"747180"	3442.072558	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+K"	38.963158
"1547048"	1173.332958	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+K"	38.963158
"309326"	1154.355017	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+H+K"	39.970434
"698831"	1721.539917	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+H+K"	39.970434
"1449372"	587.170117	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H+K"	39.970434
"244532"	2310.773426	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+ACN+H"	42.033826
"1218335"	1176.403626	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+ACN+H"	42.033826
"1202217"	588.705451	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+ACN+2H"	43.041102
"193265"	2313.71076	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+2Na-H"	44.97116
"633919"	3448.08056	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+2Na-H"	44.97116
"1136696"	1179.34096	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2Na-H"	44.97116
"175975"	1157.359018	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+2Na"	45.978436
"613342"	1724.543918	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+2Na"	45.978436
"1116161"	590.174118	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2Na"	45.978436
"1398955"	393.785170666667	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H+2Na"	46.985712
"1430260"	1181.382546	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H+HCOOH"	47.012746
"222923"	1162.39204	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+3H2O+2H"	56.04448
"1510627"	1195.43459	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+IsoProp+H"	61.06479
"412131"	1165.345988	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+Na+K"	61.952376
"770943"	1732.530888	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+Na+K"	61.952376
"1667271"	598.161088	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Na+K"	61.952376
"253433"	2332.755368	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+ACN+Na"	64.015768
"1228692"	1198.385568	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+ACN+Na"	64.015768
"1715392"	1198.409093	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+NH4+HCOOH"	64.039293
"1181848"	401.112484666667	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+3Na"	68.967654
"1653928"	1203.364488	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Na+HCOOH"	68.994688
"157464"	2345.65864	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+2K-H"	76.91904
"597141"	3480.02844	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+2K-H"	76.91904
"1085348"	1211.28884	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2K-H"	76.91904
"141468"	1173.332958	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"2M+2K"	77.926316
"582575"	1740.517858	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"3M+2K"	77.926316
"1068655"	606.148058	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2K"	77.926316
"1100530"	1213.303392	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2K+H"	78.933592
"1335823"	1213.391007	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+DMSO+H"	79.021207
"1006777"	1217.430176	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2ACN+H"	83.060376
"1525035"	1218.423808	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+IsoProp+Na+H"	84.054008
"990275"	609.218726	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+2ACN+2H"	84.067652
"1589520"	1219.338428	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+K+HCOOH"	84.968628
"1415541"	1249.369938	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+H+CF3COOH"	115.000138
"1154216"	629.732001	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+3ACN+2H"	125.094202
"1707049"	1266.396485	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+NH4+CF3COOH"	132.026685
"1639419"	1271.35188	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+Na+CF3COOH"	136.98208
"1571340"	1287.32582	"C13183"	"beta-Cyclodextrin"	"C42H70O35"	"1134.3698"	"M+K+CF3COOH"	152.95602
"814185"	197.7993	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M"	0
"978969"	178.78091	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-H2O-H"	-19.01839
"69403"	130.858924	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M-3H"	-3.021828
"503502"	196.792024	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M-3H"	-3.021828
"881420"	64.925824	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-3H"	-3.021828
"4248"	196.792024	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M-2H"	-2.014552
"442349"	295.691674	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M-2H"	-2.014552
"818085"	97.892374	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-2H"	-2.014552
"81235"	394.591324	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M-H"	-1.007276
"521159"	592.390624	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M-H"	-1.007276
"902241"	196.792024	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-H"	-1.007276
"54429"	411.617871	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M-2H+NH4"	16.019271
"493989"	609.417171	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M-2H+NH4"	16.019271
"875072"	213.818571	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-2H+NH4"	16.019271
"36411"	416.573266	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M-2H+Na"	20.974666
"480345"	614.372566	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M-2H+Na"	20.974666
"857054"	218.773966	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-2H+Na"	20.974666
"1619298"	218.773966	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Na-2H"	20.974666
"95097"	214.780363	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M-H+Cl"	33.962126
"535024"	313.680013	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M-H+Cl"	33.962126
"927439"	115.880713	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-H+Cl"	33.962126
"271474"	430.568002	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+Cl"	34.969402
"664988"	628.367302	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+Cl"	34.969402
"1274110"	232.768702	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Cl"	34.969402
"21044"	432.547206	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M-2H+K"	36.948606
"458782"	630.346506	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M-2H+K"	36.948606
"836582"	234.747906	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-2H+K"	36.948606
"1559711"	234.747906	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+K-2H"	36.948606
"945406"	242.797494	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-H+HCOOH"	44.998194
"363255"	440.596801	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+HCOOH-H"	44.998201
"346896"	454.612451	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+Hac-H"	59.013851
"1494875"	256.813151	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Hac-H"	59.013851
"963879"	264.779451	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-H+NaCOOH"	66.980151
"112784"	232.768702	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+2Cl"	69.938804
"555627"	331.668352	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+2Cl"	69.938804
"1025519"	133.869052	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2Cl"	69.938804
"1246557"	276.718185	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Br"	78.918885
"1307182"	278.774172	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Cl+HCOOH"	80.974872
"1326139"	300.756129	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Cl+NaCOOH"	102.956829
"920480"	310.784886	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M-H+CF3COOH"	112.985586
"1298282"	346.761564	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Cl+CF3COOH"	148.962264
"1382645"	162.786624	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H-2H2O"	-35.012676
"1385198"	180.7966	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H-H2O"	-17.0027
"285977"	396.605876	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+H"	1.007276
"680584"	594.405176	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+H"	1.007276
"1355842"	198.806576	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H"	1.007276
"130919"	198.806576	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+2H"	2.014552
"570841"	297.706226	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+2H"	2.014552
"1045839"	99.906926	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2H"	2.014552
"217388"	132.873476	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+3H"	3.021828
"658657"	198.806576	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+3H"	3.021828
"1178331"	66.940376	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+3H"	3.021828
"436530"	413.632423	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+NH4"	18.033823
"800805"	611.431723	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+NH4"	18.033823
"1695676"	215.833123	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+NH4"	18.033823
"345214"	207.3198495	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+H+NH4"	19.041099
"737472"	306.2194995	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+H+NH4"	19.041099
"1491654"	108.4201995	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H+NH4"	19.041099
"405233"	418.587818	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+Na"	22.989218
"766596"	616.387118	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+Na"	22.989218
"1614327"	220.788518	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Na"	22.989218
"321080"	209.797547	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+H+Na"	23.996494
"715691"	308.697197	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+H+Na"	23.996494
"1469512"	110.897897	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H+Na"	23.996494
"1060572"	74.26769	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2H+Na"	25.00377
"1262251"	230.832786	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+CH3OH+H"	33.033486
"388486"	434.561758	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+K"	38.963158
"748384"	632.361058	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+K"	38.963158
"1547158"	236.762458	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+K"	38.963158
"309800"	217.784517	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+H+K"	39.970434
"700036"	316.684167	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+H+K"	39.970434
"1452762"	118.884867	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H+K"	39.970434
"241362"	437.632426	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+ACN+H"	42.033826
"1218445"	239.833126	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+ACN+H"	42.033826
"1202327"	120.420201	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+ACN+2H"	43.041102
"197385"	440.56976	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+2Na-H"	44.97116
"638039"	638.36906	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+2Na-H"	44.97116
"1140453"	242.77046	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2Na-H"	44.97116
"180826"	220.788518	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+2Na"	45.978436
"621481"	319.688168	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+2Na"	45.978436
"1117206"	121.888868	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2Na"	45.978436
"1398906"	81.595004	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H+2Na"	46.985712
"1430656"	244.812046	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H+HCOOH"	47.012746
"220715"	225.82154	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+3H2O+2H"	56.04448
"1508580"	258.86409	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+IsoProp+H"	61.06479
"412245"	228.775488	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+Na+K"	61.952376
"771054"	327.675138	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+Na+K"	61.952376
"1668111"	129.875838	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Na+K"	61.952376
"255002"	459.614368	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+ACN+Na"	64.015768
"1227708"	261.815068	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+ACN+Na"	64.015768
"1716597"	261.838593	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+NH4+HCOOH"	64.039293
"1182685"	88.922318	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+3Na"	68.967654
"1651234"	266.793988	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Na+HCOOH"	68.994688
"157731"	472.51764	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+2K-H"	76.91904
"598263"	670.31694	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+2K-H"	76.91904
"1084838"	274.71834	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2K-H"	76.91904
"142992"	236.762458	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"2M+2K"	77.926316
"581828"	335.662108	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"3M+2K"	77.926316
"1070224"	137.862808	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2K"	77.926316
"1101005"	276.732892	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2K+H"	78.933592
"1337998"	276.820507	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+DMSO+H"	79.021207
"1007013"	280.859676	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2ACN+H"	83.060376
"1525504"	281.853308	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+IsoProp+Na+H"	84.054008
"990494"	140.933476	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+2ACN+2H"	84.067652
"1589626"	282.767928	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+K+HCOOH"	84.968628
"1416014"	312.799438	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+H+CF3COOH"	115.000138
"1154326"	161.446751	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+3ACN+2H"	125.094202
"1707159"	329.825985	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+NH4+CF3COOH"	132.026685
"1639529"	334.78138	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+Na+CF3COOH"	136.98208
"1571571"	350.75532	"C13189"	"Calcium bromide"	"CaBr2"	"197.7993"	"M+K+CF3COOH"	152.95602
"814295"	173.8791	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M"	0
"979079"	154.86071	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-H2O-H"	-19.01839
"69512"	114.912124	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M-3H"	-3.021828
"507984"	172.871824	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M-3H"	-3.021828
"882867"	56.952424	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-3H"	-3.021828
"5451"	172.871824	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M-2H"	-2.014552
"442095"	259.811374	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M-2H"	-2.014552
"817952"	85.932274	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-2H"	-2.014552
"80617"	346.750924	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M-H"	-1.007276
"519810"	520.630024	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M-H"	-1.007276
"901257"	172.871824	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-H"	-1.007276
"50167"	363.777471	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M-2H+NH4"	16.019271
"491912"	537.656571	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M-2H+NH4"	16.019271
"878462"	189.898371	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-2H+NH4"	16.019271
"37615"	368.732866	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M-2H+Na"	20.974666
"479362"	542.611966	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M-2H+Na"	20.974666
"858257"	194.853766	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-2H+Na"	20.974666
"1619407"	194.853766	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Na-2H"	20.974666
"95936"	190.860163	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M-H+Cl"	33.962126
"535134"	277.799713	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M-H+Cl"	33.962126
"928284"	103.920613	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-H+Cl"	33.962126
"271221"	382.727602	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+Cl"	34.969402
"662913"	556.606702	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+Cl"	34.969402
"1274583"	208.848502	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Cl"	34.969402
"19697"	384.706806	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M-2H+K"	36.948606
"458528"	558.585906	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M-2H+K"	36.948606
"835236"	210.827706	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-2H+K"	36.948606
"1559821"	210.827706	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+K-2H"	36.948606
"945516"	218.877294	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-H+HCOOH"	44.998194
"363001"	392.756401	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+HCOOH-H"	44.998201
"347614"	406.772051	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+Hac-H"	59.013851
"1493205"	232.892951	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Hac-H"	59.013851
"962165"	240.859251	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-H+NaCOOH"	66.980151
"113990"	208.848502	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+2Cl"	69.938804
"552456"	295.788052	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+2Cl"	69.938804
"1023808"	121.908952	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2Cl"	69.938804
"1246303"	252.797985	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Br"	78.918885
"1309844"	254.853972	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Cl+HCOOH"	80.974872
"1321143"	276.835929	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Cl+NaCOOH"	102.956829
"911474"	286.864686	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M-H+CF3COOH"	112.985586
"1292923"	322.841364	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Cl+CF3COOH"	148.962264
"1367231"	138.866424	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H-2H2O"	-35.012676
"1391865"	156.8764	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H-H2O"	-17.0027
"289364"	348.765476	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+H"	1.007276
"680691"	522.644576	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+H"	1.007276
"1357045"	174.886376	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H"	1.007276
"132122"	174.886376	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+2H"	2.014552
"569491"	261.825926	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+2H"	2.014552
"1044856"	87.946826	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2H"	2.014552
"218226"	116.926676	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+3H"	3.021828
"659931"	174.886376	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+3H"	3.021828
"1178451"	58.966976	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+3H"	3.021828
"435910"	365.792023	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+NH4"	18.033823
"799456"	539.671123	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+NH4"	18.033823
"1696762"	191.912923	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+NH4"	18.033823
"342971"	183.3996495	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+H+NH4"	19.041099
"736851"	270.3391995	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+H+NH4"	19.041099
"1490306"	96.4600995	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H+NH4"	19.041099
"407165"	370.747418	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+Na"	22.989218
"768892"	544.626518	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+Na"	22.989218
"1613343"	196.868318	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Na"	22.989218
"326658"	185.877347	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+H+Na"	23.996494
"715799"	272.816897	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+H+Na"	23.996494
"1471807"	98.937797	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H+Na"	23.996494
"1062866"	66.29429	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2H+Na"	25.00377
"1265640"	206.912586	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+CH3OH+H"	33.033486
"388593"	386.721358	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+K"	38.963158
"748494"	560.600458	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+K"	38.963158
"1547268"	212.842258	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+K"	38.963158
"309910"	193.864317	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+H+K"	39.970434
"701239"	280.803867	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+H+K"	39.970434
"1453965"	106.924767	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H+K"	39.970434
"241472"	389.792026	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+ACN+H"	42.033826
"1220742"	215.912926	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+ACN+H"	42.033826
"1202438"	108.460101	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+ACN+2H"	43.041102
"195310"	392.72936	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+2Na-H"	44.97116
"638881"	566.60846	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+2Na-H"	44.97116
"1139472"	218.85026	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2Na-H"	44.97116
"176562"	196.868318	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+2Na"	45.978436
"614174"	283.807868	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+2Na"	45.978436
"1117441"	109.928768	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2Na"	45.978436
"1399262"	73.621604	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H+2Na"	46.985712
"1430281"	220.891846	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H+HCOOH"	47.012746
"220213"	201.90134	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+3H2O+2H"	56.04448
"1508650"	234.94389	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+IsoProp+H"	61.06479
"410164"	204.855288	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+Na+K"	61.952376
"771164"	291.794838	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+Na+K"	61.952376
"1666517"	117.915738	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Na+K"	61.952376
"256204"	411.773968	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+ACN+Na"	64.015768
"1227818"	237.894868	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+ACN+Na"	64.015768
"1713786"	237.918393	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+NH4+HCOOH"	64.039293
"1179388"	80.948918	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+3Na"	68.967654
"1651589"	242.873788	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Na+HCOOH"	68.994688
"157840"	424.67724	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+2K-H"	76.91904
"599104"	598.55634	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+2K-H"	76.91904
"1085192"	250.79814	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2K-H"	76.91904
"142008"	212.842258	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"2M+2K"	77.926316
"582667"	299.781808	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"3M+2K"	77.926316
"1069606"	125.902708	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2K"	77.926316
"1100871"	252.812692	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2K+H"	78.933592
"1337742"	252.900307	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+DMSO+H"	79.021207
"1006153"	256.939476	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2ACN+H"	83.060376
"1525008"	257.933108	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+IsoProp+Na+H"	84.054008
"990968"	128.973376	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+2ACN+2H"	84.067652
"1588030"	258.847728	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+K+HCOOH"	84.968628
"1418677"	288.879238	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+H+CF3COOH"	115.000138
"1148964"	149.486651	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+3ACN+2H"	125.094202
"1708362"	305.905785	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+NH4+CF3COOH"	132.026685
"1639639"	310.86118	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+Na+CF3COOH"	136.98208
"1571519"	326.83512	"C13192"	"Potassium sulfate"	"K2SO4"	"173.8791"	"M+K+CF3COOH"	152.95602
"814405"	135.9143	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M"	0
"979189"	116.89591	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-H2O-H"	-19.01839
"68529"	89.6022573333333	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M-3H"	-3.021828
"505908"	134.907024	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M-3H"	-3.021828
"881520"	44.2974906666667	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-3H"	-3.021828
"5563"	134.907024	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M-2H"	-2.014552
"444028"	202.864174	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M-2H"	-2.014552
"817454"	66.949874	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-2H"	-2.014552
"81820"	270.821324	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M-H"	-1.007276
"522472"	406.735624	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M-H"	-1.007276
"901368"	134.907024	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-H"	-1.007276
"53558"	287.847871	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M-2H+NH4"	16.019271
"497491"	423.762171	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M-2H+NH4"	16.019271
"877115"	151.933571	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-2H+NH4"	16.019271
"41006"	292.803266	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M-2H+Na"	20.974666
"477285"	428.717566	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M-2H+Na"	20.974666
"859461"	156.888966	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-2H+Na"	20.974666
"1619519"	156.888966	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Na-2H"	20.974666
"97871"	152.895363	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M-H+Cl"	33.962126
"538891"	220.852513	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M-H+Cl"	33.962126
"928395"	84.938213	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-H+Cl"	33.962126
"272423"	306.798002	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+Cl"	34.969402
"664116"	442.712302	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+Cl"	34.969402
"1275422"	170.883702	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Cl"	34.969402
"19076"	308.777206	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M-2H+K"	36.948606
"458638"	444.691506	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M-2H+K"	36.948606
"836439"	172.862906	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-2H+K"	36.948606
"1559200"	172.862906	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+K-2H"	36.948606
"946719"	180.912494	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-H+HCOOH"	44.998194
"366028"	316.826801	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+HCOOH-H"	44.998201
"349182"	330.842451	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+Hac-H"	59.013851
"1495462"	194.928151	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Hac-H"	59.013851
"960819"	202.894451	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-H+NaCOOH"	66.980151
"113007"	170.883702	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+2Cl"	69.938804
"558033"	238.840852	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+2Cl"	69.938804
"1025012"	102.926552	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2Cl"	69.938804
"1245320"	214.833185	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Br"	78.918885
"1307767"	216.889172	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Cl+HCOOH"	80.974872
"1321982"	238.871129	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Cl+NaCOOH"	102.956829
"911981"	248.899886	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M-H+CF3COOH"	112.985586
"1293033"	284.876564	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Cl+CF3COOH"	148.962264
"1367341"	100.901624	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H-2H2O"	-35.012676
"1390882"	118.9116	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H-H2O"	-17.0027
"289474"	272.835876	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+H"	1.007276
"678615"	408.750176	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+H"	1.007276
"1356060"	136.921576	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H"	1.007276
"128218"	136.921576	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+2H"	2.014552
"568141"	204.878726	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+2H"	2.014552
"1041681"	68.964426	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2H"	2.014552
"218094"	91.6168093333333	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+3H"	3.021828
"659729"	136.921576	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+3H"	3.021828
"1178399"	46.3120426666667	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+3H"	3.021828
"439915"	289.862423	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+NH4"	18.033823
"797012"	425.776723	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+NH4"	18.033823
"1692250"	153.948123	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+NH4"	18.033823
"335425"	145.4348495	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+H+NH4"	19.041099
"731857"	213.3919995	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+H+NH4"	19.041099
"1483490"	77.4776995	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H+NH4"	19.041099
"403265"	294.817818	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+Na"	22.989218
"767540"	430.732118	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+Na"	22.989218
"1616732"	158.903518	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Na"	22.989218
"320207"	147.912547	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+H+Na"	23.996494
"715909"	215.869697	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+H+Na"	23.996494
"1470824"	79.955397	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H+Na"	23.996494
"1064068"	53.6393566666667	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2H+Na"	25.00377
"1265749"	168.947786	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+CH3OH+H"	33.033486
"387609"	310.791758	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+K"	38.963158
"747511"	446.706058	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+K"	38.963158
"1546283"	174.877458	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+K"	38.963158
"310019"	155.899517	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+H+K"	39.970434
"700254"	223.856667	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+H+K"	39.970434
"1450794"	87.942367	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H+K"	39.970434
"247048"	313.862426	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+ACN+H"	42.033826
"1221945"	177.948126	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+ACN+H"	42.033826
"1205830"	89.477701	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+ACN+2H"	43.041102
"197609"	316.79976	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+2Na-H"	44.97116
"640083"	452.71406	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+2Na-H"	44.97116
"1136664"	180.88546	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2Na-H"	44.97116
"173875"	158.903518	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+2Na"	45.978436
"613144"	226.860668	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+2Na"	45.978436
"1116823"	90.946368	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2Na"	45.978436
"1399374"	60.9666706666667	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H+2Na"	46.985712
"1431003"	182.927046	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H+HCOOH"	47.012746
"220410"	163.93654	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+3H2O+2H"	56.04448
"1509126"	196.97909	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+IsoProp+H"	61.06479
"409547"	166.890488	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+Na+K"	61.952376
"770910"	234.847638	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+Na+K"	61.952376
"1666145"	98.933338	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Na+K"	61.952376
"256314"	335.844368	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+ACN+Na"	64.015768
"1227928"	199.930068	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+ACN+Na"	64.015768
"1713409"	199.953593	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+NH4+HCOOH"	64.039293
"1179985"	68.2939846666667	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+3Na"	68.967654
"1650728"	204.908988	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Na+HCOOH"	68.994688
"157218"	348.74764	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+2K-H"	76.91904
"597183"	484.66194	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+2K-H"	76.91904
"1084406"	212.83334	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2K-H"	76.91904
"141874"	174.877458	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"2M+2K"	77.926316
"581436"	242.834608	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"3M+2K"	77.926316
"1068745"	106.920308	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2K"	77.926316
"1100173"	214.847892	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2K+H"	78.933592
"1335634"	214.935507	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+DMSO+H"	79.021207
"1005900"	218.974676	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2ACN+H"	83.060376
"1524403"	219.968308	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+IsoProp+Na+H"	84.054008
"990142"	109.990976	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+2ACN+2H"	84.067652
"1588012"	220.882928	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+K+HCOOH"	84.968628
"1414773"	250.914438	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+H+CF3COOH"	115.000138
"1150528"	130.504251	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+3ACN+2H"	125.094202
"1697168"	267.940985	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+NH4+CF3COOH"	132.026685
"1639749"	272.89638	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+Na+CF3COOH"	136.98208
"1571508"	288.87032	"C13194"	"Calcium sulfate;Gypsum"	"CaSO4"	"135.9143"	"M+K+CF3COOH"	152.95602
"813422"	173.8887	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M"	0
"979299"	154.87031	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-H2O-H"	-19.01839
"68640"	114.918524	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M-3H"	-3.021828
"504925"	172.881424	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M-3H"	-3.021828
"880171"	56.955624	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-3H"	-3.021828
"2394"	172.881424	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M-2H"	-2.014552
"443411"	259.825774	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M-2H"	-2.014552
"819024"	85.937074	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-2H"	-2.014552
"84118"	346.770124	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M-H"	-1.007276
"523676"	520.658824	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M-H"	-1.007276
"900385"	172.881424	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-H"	-1.007276
"55854"	363.796671	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M-2H+NH4"	16.019271
"494321"	537.685371	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M-2H+NH4"	16.019271
"875403"	189.907971	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-2H+NH4"	16.019271
"40022"	368.752066	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M-2H+Na"	20.974666
"477395"	542.640766	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M-2H+Na"	20.974666
"858478"	194.863366	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-2H+Na"	20.974666
"1620357"	194.863366	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Na-2H"	20.974666
"94819"	190.869763	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M-H+Cl"	33.962126
"539002"	277.814113	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M-H+Cl"	33.962126
"930329"	103.925413	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-H+Cl"	33.962126
"270712"	382.746802	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+Cl"	34.969402
"662405"	556.635502	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+Cl"	34.969402
"1275534"	208.858102	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Cl"	34.969402
"17001"	384.726006	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M-2H+K"	36.948606
"457655"	558.614706	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M-2H+K"	36.948606
"833349"	210.837306	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-2H+K"	36.948606
"1558217"	210.837306	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+K-2H"	36.948606
"946829"	218.886894	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-H+HCOOH"	44.998194
"366138"	392.775601	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+HCOOH-H"	44.998201
"351115"	406.791251	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+Hac-H"	59.013851
"1496668"	232.902551	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Hac-H"	59.013851
"963116"	240.868851	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-H+NaCOOH"	66.980151
"116398"	208.858102	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+2Cl"	69.938804
"557052"	295.802452	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+2Cl"	69.938804
"1026945"	121.913752	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2Cl"	69.938804
"1246524"	252.807585	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Br"	78.918885
"1311157"	254.863572	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Cl+HCOOH"	80.974872
"1326466"	276.845529	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Cl+NaCOOH"	102.956829
"911495"	286.874286	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M-H+CF3COOH"	112.985586
"1293143"	322.850964	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Cl+CF3COOH"	148.962264
"1367126"	138.876024	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H-2H2O"	-35.012676
"1390992"	156.886	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H-H2O"	-17.0027
"289584"	348.784676	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+H"	1.007276
"677632"	522.673376	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+H"	1.007276
"1354347"	174.895976	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H"	1.007276
"128329"	174.895976	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+2H"	2.014552
"567524"	261.840326	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+2H"	2.014552
"1047261"	87.951626	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2H"	2.014552
"218325"	116.933076	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+3H"	3.021828
"659475"	174.895976	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+3H"	3.021828
"1178086"	58.970176	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+3H"	3.021828
"439416"	365.811223	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+NH4"	18.033823
"798944"	539.699923	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+NH4"	18.033823
"1693087"	191.922523	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+NH4"	18.033823
"335534"	183.4092495	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+H+NH4"	19.041099
"729780"	270.3535995	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+H+NH4"	19.041099
"1489068"	96.4648995	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H+NH4"	19.041099
"404468"	370.766618	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+Na"	22.989218
"763277"	544.655318	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+Na"	22.989218
"1612468"	196.877918	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Na"	22.989218
"323598"	185.886947	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+H+Na"	23.996494
"710552"	272.831297	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+H+Na"	23.996494
"1463280"	98.942597	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H+Na"	23.996494
"1058712"	66.29749	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2H+Na"	25.00377
"1262578"	206.922186	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+CH3OH+H"	33.033486
"385533"	386.740558	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+K"	38.963158
"747620"	560.629258	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+K"	38.963158
"1547487"	212.851858	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+K"	38.963158
"307942"	193.873917	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+H+K"	39.970434
"695990"	280.818267	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+H+K"	39.970434
"1455278"	106.929567	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H+K"	39.970434
"249591"	389.811226	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+ACN+H"	42.033826
"1219870"	215.922526	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+ACN+H"	42.033826
"1204849"	108.464901	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+ACN+2H"	43.041102
"196626"	392.74856	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+2Na-H"	44.97116
"640194"	566.63726	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+2Na-H"	44.97116
"1136410"	218.85986	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2Na-H"	44.97116
"172938"	196.877918	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+2Na"	45.978436
"613015"	283.822268	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+2Na"	45.978436
"1116807"	109.933568	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2Na"	45.978436
"1401182"	73.624804	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H+2Na"	46.985712
"1430220"	220.901446	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H+HCOOH"	47.012746
"220482"	201.91094	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+3H2O+2H"	56.04448
"1508663"	234.95349	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+IsoProp+H"	61.06479
"409002"	204.864888	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+Na+K"	61.952376
"770013"	291.809238	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+Na+K"	61.952376
"1666491"	117.920538	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Na+K"	61.952376
"254234"	411.793168	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+ACN+Na"	64.015768
"1226941"	237.904468	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+ACN+Na"	64.015768
"1716195"	237.927993	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+NH4+HCOOH"	64.039293
"1178713"	80.952118	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+3Na"	68.967654
"1649894"	242.883388	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Na+HCOOH"	68.994688
"157609"	424.69644	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+2K-H"	76.91904
"597979"	598.58514	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+2K-H"	76.91904
"1084922"	250.80774	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2K-H"	76.91904
"142951"	212.851858	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"2M+2K"	77.926316
"581670"	299.796208	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"3M+2K"	77.926316
"1069091"	125.907508	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2K"	77.926316
"1100236"	252.822292	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2K+H"	78.933592
"1335970"	252.909907	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+DMSO+H"	79.021207
"1006241"	256.949076	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2ACN+H"	83.060376
"1524617"	257.942708	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+IsoProp+Na+H"	84.054008
"990332"	128.978176	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+2ACN+2H"	84.067652
"1587107"	258.857328	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+K+HCOOH"	84.968628
"1414184"	288.888838	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+H+CF3COOH"	115.000138
"1147842"	149.491451	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+3ACN+2H"	125.094202
"1697026"	305.915385	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+NH4+CF3COOH"	132.026685
"1639859"	310.87078	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+Na+CF3COOH"	136.98208
"1571740"	326.84472	"C13197"	"Potassium dibasic phosphate"	"K2HPO4"	"173.8887"	"M+K+CF3COOH"	152.95602
"814626"	117.882	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M"	0
"983787"	98.86361	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-H2O-H"	-19.01839
"68755"	77.580724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M-3H"	-3.021828
"507222"	116.874724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M-3H"	-3.021828
"880647"	38.286724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-3H"	-3.021828
"1408"	116.874724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M-2H"	-2.014552
"440439"	175.815724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M-2H"	-2.014552
"819497"	57.933724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-2H"	-2.014552
"80581"	234.756724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M-H"	-1.007276
"522693"	352.638724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M-H"	-1.007276
"899403"	116.874724	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-H"	-1.007276
"48307"	251.783271	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M-2H+NH4"	16.019271
"492243"	369.665271	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M-2H+NH4"	16.019271
"871141"	133.901271	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-2H+NH4"	16.019271
"40136"	256.738666	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M-2H+Na"	20.974666
"474228"	374.620666	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M-2H+Na"	20.974666
"851302"	138.856666	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-2H+Na"	20.974666
"1624116"	138.856666	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Na-2H"	20.974666
"98458"	134.863063	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M-H+Cl"	33.962126
"544216"	193.804063	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M-H+Cl"	33.962126
"930079"	75.922063	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-H+Cl"	33.962126
"269363"	270.733402	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+Cl"	34.969402
"663246"	388.615402	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+Cl"	34.969402
"1278930"	152.851402	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Cl"	34.969402
"23675"	272.712606	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M-2H+K"	36.948606
"458861"	390.594606	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M-2H+K"	36.948606
"838852"	154.830606	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-2H+K"	36.948606
"1563432"	154.830606	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+K-2H"	36.948606
"945848"	162.880194	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-H+HCOOH"	44.998194
"362969"	280.762201	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+HCOOH-H"	44.998201
"347580"	294.777851	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+Hac-H"	59.013851
"1493497"	176.895851	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Hac-H"	59.013851
"959946"	184.862151	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-H+NaCOOH"	66.980151
"112135"	152.851402	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+2Cl"	69.938804
"551328"	211.792402	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+2Cl"	69.938804
"1023774"	93.910402	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2Cl"	69.938804
"1241768"	196.800885	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Br"	78.918885
"1307989"	198.856872	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Cl+HCOOH"	80.974872
"1326579"	220.838829	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Cl+NaCOOH"	102.956829
"912289"	230.867586	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M-H+CF3COOH"	112.985586
"1292160"	266.844264	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Cl+CF3COOH"	148.962264
"1370324"	82.869324	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H-2H2O"	-35.012676
"1390010"	100.8793	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H-H2O"	-17.0027
"283136"	236.771276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+H"	1.007276
"677743"	354.653276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+H"	1.007276
"1356281"	118.889276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H"	1.007276
"131356"	118.889276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+2H"	2.014552
"577480"	177.830276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+2H"	2.014552
"1048467"	59.948276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2H"	2.014552
"219173"	79.595276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+3H"	3.021828
"658848"	118.889276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+3H"	3.021828
"1170780"	40.301276	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+3H"	3.021828
"438794"	253.797823	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+NH4"	18.033823
"791766"	371.679823	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+NH4"	18.033823
"1693561"	135.915823	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+NH4"	18.033823
"339650"	127.4025495	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+H+NH4"	19.041099
"734261"	186.3435495	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+H+NH4"	19.041099
"1486987"	68.4615495	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H+NH4"	19.041099
"396924"	258.753218	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+Na"	22.989218
"757919"	376.635218	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+Na"	22.989218
"1606017"	140.871218	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Na"	22.989218
"318240"	129.880247	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+H+Na"	23.996494
"709932"	188.821247	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+H+Na"	23.996494
"1464483"	70.939247	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H+Na"	23.996494
"1058825"	47.62859	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2H+Na"	25.00377
"1262689"	150.915486	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+CH3OH+H"	33.033486
"386734"	274.727158	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+K"	38.963158
"742265"	392.609158	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+K"	38.963158
"1541398"	156.845158	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+K"	38.963158
"301857"	137.867217	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+H+K"	39.970434
"694275"	196.808217	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+H+K"	39.970434
"1453199"	78.926217	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H+K"	39.970434
"240708"	277.797826	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+ACN+H"	42.033826
"1214874"	159.915826	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+ACN+H"	42.033826
"1201677"	80.461551	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+ACN+2H"	43.041102
"195641"	280.73516	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+2Na-H"	44.97116
"630461"	398.61716	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+2Na-H"	44.97116
"1133965"	162.85316	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2Na-H"	44.97116
"179442"	140.871218	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+2Na"	45.978436
"617544"	199.812218	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+2Na"	45.978436
"1116432"	81.930218	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2Na"	45.978436
"1398982"	54.955904	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H+2Na"	46.985712
"1429956"	164.894746	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H+HCOOH"	47.012746
"220789"	145.90424	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+3H2O+2H"	56.04448
"1508642"	178.94679	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+IsoProp+H"	61.06479
"408950"	148.858188	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+Na+K"	61.952376
"770394"	207.799188	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+Na+K"	61.952376
"1666485"	89.917188	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Na+K"	61.952376
"254712"	299.779768	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+ACN+Na"	64.015768
"1228148"	181.897768	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+ACN+Na"	64.015768
"1712943"	181.921293	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+NH4+HCOOH"	64.039293
"1179841"	62.283218	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+3Na"	68.967654
"1649955"	186.876688	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Na+HCOOH"	68.994688
"157202"	312.68304	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+2K-H"	76.91904
"597280"	430.56504	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+2K-H"	76.91904
"1084300"	194.80104	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2K-H"	76.91904
"141858"	156.845158	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"2M+2K"	77.926316
"582031"	215.786158	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"3M+2K"	77.926316
"1068510"	97.904158	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2K"	77.926316
"1100046"	196.815592	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2K+H"	78.933592
"1335687"	196.903207	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+DMSO+H"	79.021207
"1005797"	200.942376	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2ACN+H"	83.060376
"1524168"	201.936008	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+IsoProp+Na+H"	84.054008
"990696"	100.974826	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+2ACN+2H"	84.067652
"1588971"	202.850628	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+K+HCOOH"	84.968628
"1415727"	232.882138	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+H+CF3COOH"	115.000138
"1151486"	121.488101	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+3ACN+2H"	125.094202
"1699944"	249.908685	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+NH4+CF3COOH"	132.026685
"1643249"	254.86408	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+Na+CF3COOH"	136.98208
"1572337"	270.83802	"C13198"	"Potassium bromide"	"KBr"	"117.882"	"M+K+CF3COOH"	152.95602
"814735"	141.9313	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M"	0
"978426"	122.91291	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-H2O-H"	-19.01839
"67766"	93.6135906666667	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M-3H"	-3.021828
"507332"	140.924024	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M-3H"	-3.021828
"880757"	46.3031573333333	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-3H"	-3.021828
"546"	140.924024	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M-2H"	-2.014552
"441440"	211.889674	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M-2H"	-2.014552
"818998"	69.958374	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-2H"	-2.014552
"81055"	282.855324	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M-H"	-1.007276
"521345"	424.786624	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M-H"	-1.007276
"900606"	140.924024	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-H"	-1.007276
"49513"	299.881871	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M-2H+NH4"	16.019271
"492353"	441.813171	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M-2H+NH4"	16.019271
"870156"	157.950571	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-2H+NH4"	16.019271
"39152"	304.837266	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M-2H+Na"	20.974666
"474458"	446.768566	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M-2H+Na"	20.974666
"852505"	162.905966	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-2H+Na"	20.974666
"1624955"	162.905966	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Na-2H"	20.974666
"100756"	158.912363	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M-H+Cl"	33.962126
"539588"	229.878013	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M-H+Cl"	33.962126
"930553"	87.946713	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-H+Cl"	33.962126
"269837"	318.832002	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+Cl"	34.969402
"663356"	460.763302	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+Cl"	34.969402
"1279040"	176.900702	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Cl"	34.969402
"23785"	320.811206	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M-2H+K"	36.948606
"458971"	462.742506	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M-2H+K"	36.948606
"838962"	178.879906	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-2H+K"	36.948606
"1556981"	178.879906	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+K-2H"	36.948606
"947052"	186.929494	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-H+HCOOH"	44.998194
"365267"	328.860801	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+HCOOH-H"	44.998201
"346963"	342.876451	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+Hac-H"	59.013851
"1493115"	200.945151	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Hac-H"	59.013851
"958875"	208.911451	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-H+NaCOOH"	66.980151
"112244"	176.900702	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+2Cl"	69.938804
"550832"	247.866352	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+2Cl"	69.938804
"1021573"	105.935052	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2Cl"	69.938804
"1242370"	220.850185	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Br"	78.918885
"1311379"	222.906172	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Cl+HCOOH"	80.974872
"1328876"	244.888129	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Cl+NaCOOH"	102.956829
"916652"	254.916886	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M-H+CF3COOH"	112.985586
"1288624"	290.893564	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Cl+CF3COOH"	148.962264
"1369341"	106.918624	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H-2H2O"	-35.012676
"1389027"	124.9286	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H-H2O"	-17.0027
"283122"	284.869876	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+H"	1.007276
"676758"	426.801176	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+H"	1.007276
"1353111"	142.938576	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H"	1.007276
"130372"	142.938576	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+2H"	2.014552
"576497"	213.904226	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+2H"	2.014552
"1048577"	71.972926	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2H"	2.014552
"219039"	95.6281426666667	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+3H"	3.021828
"659208"	142.938576	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+3H"	3.021828
"1177694"	48.3177093333333	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+3H"	3.021828
"439148"	301.896423	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+NH4"	18.033823
"794065"	443.827723	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+NH4"	18.033823
"1693671"	159.965123	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+NH4"	18.033823
"340853"	151.4518495	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+H+NH4"	19.041099
"733278"	222.4174995	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+H+NH4"	19.041099
"1486002"	80.4861995	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H+NH4"	19.041099
"399221"	306.851818	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+Na"	22.989218
"763497"	448.783118	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+Na"	22.989218
"1611595"	164.920518	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Na"	22.989218
"318350"	153.929547	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+H+Na"	23.996494
"712959"	224.895197	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+H+Na"	23.996494
"1471154"	82.963897	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H+Na"	23.996494
"1055655"	55.6450233333333	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2H+Na"	25.00377
"1262801"	174.964786	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+CH3OH+H"	33.033486
"386845"	322.825758	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+K"	38.963158
"743468"	464.757058	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+K"	38.963158
"1541141"	180.894458	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+K"	38.963158
"298698"	161.916517	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+H+K"	39.970434
"695115"	232.882167	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+H+K"	39.970434
"1455497"	90.950867	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H+K"	39.970434
"241911"	325.896426	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+ACN+H"	42.033826
"1210486"	183.965126	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+ACN+H"	42.033826
"1200692"	92.486201	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+ACN+2H"	43.041102
"196845"	328.83376	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+2Na-H"	44.97116
"629478"	470.76506	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+2Na-H"	44.97116
"1133347"	186.90246	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2Na-H"	44.97116
"175298"	164.920518	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+2Na"	45.978436
"617653"	235.886168	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+2Na"	45.978436
"1118246"	93.954868	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2Na"	45.978436
"1399944"	62.9723373333333	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H+2Na"	46.985712
"1431205"	188.944046	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H+HCOOH"	47.012746
"220898"	169.95354	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+3H2O+2H"	56.04448
"1508922"	202.99609	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+IsoProp+H"	61.06479
"409383"	172.907488	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+Na+K"	61.952376
"773061"	243.873138	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+Na+K"	61.952376
"1667934"	101.941838	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Na+K"	61.952376
"252998"	347.878368	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+ACN+Na"	64.015768
"1227530"	205.947068	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+ACN+Na"	64.015768
"1712733"	205.970593	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+NH4+HCOOH"	64.039293
"1178548"	70.2996513333333	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+3Na"	68.967654
"1650154"	210.925988	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Na+HCOOH"	68.994688
"157422"	360.78164	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+2K-H"	76.91904
"597388"	502.71294	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+2K-H"	76.91904
"1084613"	218.85034	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2K-H"	76.91904
"143778"	180.894458	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"2M+2K"	77.926316
"581524"	251.860108	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"3M+2K"	77.926316
"1069552"	109.928808	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2K"	77.926316
"1100696"	220.864892	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2K+H"	78.933592
"1335868"	220.952507	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+DMSO+H"	79.021207
"1005973"	224.991676	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2ACN+H"	83.060376
"1524584"	225.985308	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+IsoProp+Na+H"	84.054008
"990345"	112.999476	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+2ACN+2H"	84.067652
"1587045"	226.899928	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+K+HCOOH"	84.968628
"1419118"	256.931438	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+H+CF3COOH"	115.000138
"1151596"	133.512751	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+3ACN+2H"	125.094202
"1700054"	273.957985	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+NH4+CF3COOH"	132.026685
"1640079"	278.91338	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+Na+CF3COOH"	136.98208
"1572447"	294.88732	"C13199"	"Sodium sulfate"	"Na2SO4"	"141.9313"	"M+K+CF3COOH"	152.95602
"811564"	472.3916	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M"	0
"978536"	453.37321	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-H2O-H"	-19.01839
"68970"	313.920457333333	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M-3H"	-3.021828
"509629"	471.384324	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M-3H"	-3.021828
"883054"	156.456590666667	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-3H"	-3.021828
"3816"	471.384324	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M-2H"	-2.014552
"444468"	707.580124	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M-2H"	-2.014552
"818261"	235.188524	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-2H"	-2.014552
"79711"	943.775924	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M-H"	-1.007276
"521094"	1416.167524	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M-H"	-1.007276
"899260"	471.384324	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-H"	-1.007276
"51813"	960.802471	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M-2H+NH4"	16.019271
"489549"	1433.194071	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M-2H+NH4"	16.019271
"868080"	488.410871	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-2H+NH4"	16.019271
"35008"	965.757866	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M-2H+Na"	20.974666
"472746"	1438.149466	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M-2H+Na"	20.974666
"854438"	493.366266	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-2H+Na"	20.974666
"1628348"	493.366266	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Na-2H"	20.974666
"102689"	489.372663	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M-H+Cl"	33.962126
"543344"	725.568463	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M-H+Cl"	33.962126
"929571"	253.176863	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-H+Cl"	33.962126
"270316"	979.752602	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+Cl"	34.969402
"668937"	1452.144202	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+Cl"	34.969402
"1278057"	507.361002	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Cl"	34.969402
"23897"	981.731806	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M-2H+K"	36.948606
"466738"	1454.123406	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M-2H+K"	36.948606
"844540"	509.340206	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-2H+K"	36.948606
"1562559"	509.340206	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+K-2H"	36.948606
"946069"	517.389794	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-H+HCOOH"	44.998194
"366472"	989.781401	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+HCOOH-H"	44.998201
"350354"	1003.797051	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+Hac-H"	59.013851
"1493348"	531.405451	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Hac-H"	59.013851
"961259"	539.371751	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-H+NaCOOH"	66.980151
"113449"	507.361002	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+2Cl"	69.938804
"555195"	743.556802	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+2Cl"	69.938804
"1022902"	271.165202	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2Cl"	69.938804
"1245761"	551.310485	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Br"	78.918885
"1308209"	553.366472	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Cl+HCOOH"	80.974872
"1324612"	575.348429	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Cl+NaCOOH"	102.956829
"918953"	585.377186	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M-H+CF3COOH"	112.985586
"1293477"	621.353864	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Cl+CF3COOH"	148.962264
"1378930"	437.378924	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H-2H2O"	-35.012676
"1392418"	455.3889	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H-H2O"	-17.0027
"289918"	945.790476	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+H"	1.007276
"681246"	1418.182076	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+H"	1.007276
"1360876"	473.398876	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H"	1.007276
"131577"	473.398876	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+2H"	2.014552
"574420"	709.594676	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+2H"	2.014552
"1048687"	237.203076	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2H"	2.014552
"218907"	315.935009333333	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+3H"	3.021828
"659194"	473.398876	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+3H"	3.021828
"1177196"	158.471142666667	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+3H"	3.021828
"434274"	962.817023	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+NH4"	18.033823
"798549"	1435.208623	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+NH4"	18.033823
"1692688"	490.425423	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+NH4"	18.033823
"338778"	481.9121495	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+H+NH4"	19.041099
"733385"	718.1079495	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+H+NH4"	19.041099
"1485022"	245.7163495	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H+NH4"	19.041099
"394226"	967.772418	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+Na"	22.989218
"763607"	1440.164018	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+Na"	22.989218
"1610613"	495.380818	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Na"	22.989218
"317367"	484.389847	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+H+Na"	23.996494
"707964"	720.585647	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+H+Na"	23.996494
"1466892"	248.194047	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H+Na"	23.996494
"1055765"	165.798456666667	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2H+Na"	25.00377
"1262911"	505.425086	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+CH3OH+H"	33.033486
"385862"	983.746358	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+K"	38.963158
"746859"	1456.137958	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+K"	38.963158
"1544535"	511.354758	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+K"	38.963158
"303533"	492.376817	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+H+K"	39.970434
"693767"	728.572617	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+H+K"	39.970434
"1453421"	256.181017	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H+K"	39.970434
"242023"	986.817026	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+ACN+H"	42.033826
"1214730"	514.425426	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+ACN+H"	42.033826
"1199708"	257.716351	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+ACN+2H"	43.041102
"190759"	989.75436	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+2Na-H"	44.97116
"633234"	1462.14596	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+2Na-H"	44.97116
"1132850"	517.36276	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2Na-H"	44.97116
"175164"	495.380818	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+2Na"	45.978436
"615698"	731.576618	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+2Na"	45.978436
"1117384"	259.185018	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2Na"	45.978436
"1400419"	173.125770666667	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H+2Na"	46.985712
"1430953"	519.404346	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H+HCOOH"	47.012746
"220769"	500.41384	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+3H2O+2H"	56.04448
"1508951"	533.45639	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+IsoProp+H"	61.06479
"409731"	503.367788	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+Na+K"	61.952376
"770491"	739.563588	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+Na+K"	61.952376
"1666950"	267.171988	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Na+K"	61.952376
"252006"	1008.798968	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+ACN+Na"	64.015768
"1227639"	536.407368	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+ACN+Na"	64.015768
"1713607"	536.430893	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+NH4+HCOOH"	64.039293
"1180427"	180.453084666667	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+3Na"	68.967654
"1651047"	541.386288	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Na+HCOOH"	68.994688
"157654"	1021.70224	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+2K-H"	76.91904
"598308"	1494.09384	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+2K-H"	76.91904
"1084522"	549.31064	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2K-H"	76.91904
"141952"	511.354758	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"2M+2K"	77.926316
"582120"	747.550558	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"3M+2K"	77.926316
"1069176"	275.158958	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2K"	77.926316
"1100441"	551.325192	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2K+H"	78.933592
"1336463"	551.412807	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+DMSO+H"	79.021207
"1006086"	555.451976	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2ACN+H"	83.060376
"1524940"	556.445608	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+IsoProp+Na+H"	84.054008
"990415"	278.229626	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+2ACN+2H"	84.067652
"1587310"	557.360228	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+K+HCOOH"	84.968628
"1420321"	587.391738	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+H+CF3COOH"	115.000138
"1151706"	298.742901	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+3ACN+2H"	125.094202
"1700164"	604.418285	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+NH4+CF3COOH"	132.026685
"1640189"	609.37368	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+Na+CF3COOH"	136.98208
"1572557"	625.34762	"C13202"	"alpha-Tocopherol acetate;Tocopherol acetate"	"C31H52O3"	"472.3916"	"M+K+CF3COOH"	152.95602
"813861"	351.0865	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M"	0
"981926"	332.06811	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-H2O-H"	-19.01839
"69079"	233.050390666667	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M-3H"	-3.021828
"507552"	350.079224	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M-3H"	-3.021828
"882435"	116.021557333333	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-3H"	-3.021828
"10487"	350.079224	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M-2H"	-2.014552
"445673"	525.622474	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M-2H"	-2.014552
"820557"	174.535974	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-2H"	-2.014552
"81643"	701.165724	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M-H"	-1.007276
"523025"	1052.252224	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M-H"	-1.007276
"898276"	350.079224	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-H"	-1.007276
"49007"	718.192271	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M-2H+NH4"	16.019271
"488686"	1069.278771	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M-2H+NH4"	16.019271
"865393"	367.105771	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-2H+NH4"	16.019271
"33052"	723.147666	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M-2H+Na"	20.974666
"472612"	1074.234166	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M-2H+Na"	20.974666
"850172"	372.061166	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-2H+Na"	20.974666
"1623719"	372.061166	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Na-2H"	20.974666
"96237"	368.067563	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M-H+Cl"	33.962126
"538716"	543.610813	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M-H+Cl"	33.962126
"929681"	192.524313	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-H+Cl"	33.962126
"270426"	737.142402	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+Cl"	34.969402
"670140"	1088.228902	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+Cl"	34.969402
"1278167"	386.055902	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Cl"	34.969402
"25100"	739.121606	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M-2H+K"	36.948606
"467941"	1090.208106	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M-2H+K"	36.948606
"846836"	388.035106	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-2H+K"	36.948606
"1562669"	388.035106	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+K-2H"	36.948606
"946179"	396.084694	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-H+HCOOH"	44.998194
"368769"	747.171201	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+HCOOH-H"	44.998201
"350465"	761.186851	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+Hac-H"	59.013851
"1500390"	410.100351	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Hac-H"	59.013851
"961370"	418.066651	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-H+NaCOOH"	66.980151
"116839"	386.055902	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+2Cl"	69.938804
"554212"	561.599152	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+2Cl"	69.938804
"1030666"	210.512652	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2Cl"	69.938804
"1252432"	430.005385	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Br"	78.918885
"1317067"	432.061372	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Cl+HCOOH"	80.974872
"1328003"	454.043329	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Cl+NaCOOH"	102.956829
"919063"	464.072086	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M-H+CF3COOH"	112.985586
"1296867"	500.048764	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Cl+CF3COOH"	148.962264
"1379404"	316.073824	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H-2H2O"	-35.012676
"1388153"	334.0838	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H-H2O"	-17.0027
"288205"	703.180276	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+H"	1.007276
"679532"	1054.266776	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+H"	1.007276
"1357704"	352.093776	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H"	1.007276
"128404"	352.093776	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+2H"	2.014552
"570151"	527.637026	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+2H"	2.014552
"1042233"	176.550526	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2H"	2.014552
"208309"	235.064942666667	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+3H"	3.021828
"659423"	352.093776	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+3H"	3.021828
"1178001"	118.036109333333	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+3H"	3.021828
"437662"	720.206823	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+NH4"	18.033823
"799266"	1071.293323	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+NH4"	18.033823
"1692801"	369.120323	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+NH4"	18.033823
"337795"	360.6070495	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+H+NH4"	19.041099
"725111"	536.1502995	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+H+NH4"	19.041099
"1482943"	185.0637995	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H+NH4"	19.041099
"393606"	725.162218	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+Na"	22.989218
"763717"	1076.248718	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+Na"	22.989218
"1608536"	374.075718	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Na"	22.989218
"320759"	363.084747	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+H+Na"	23.996494
"708804"	538.627997	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+H+Na"	23.996494
"1470281"	187.541497	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H+Na"	23.996494
"1059153"	125.363423333333	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2H+Na"	25.00377
"1259740"	384.119986	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+CH3OH+H"	33.033486
"380504"	741.136158	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+K"	38.963158
"744780"	1092.222658	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+K"	38.963158
"1541360"	390.049658	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+K"	38.963158
"299996"	371.071717	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+H+K"	39.970434
"692903"	546.614967	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+H+K"	39.970434
"1449521"	195.528467	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H+K"	39.970434
"239946"	744.206826	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+ACN+H"	42.033826
"1211560"	393.120326	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+ACN+H"	42.033826
"1202007"	197.063801	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+ACN+2H"	43.041102
"190869"	747.14416	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+2Na-H"	44.97116
"632252"	1098.23066	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+2Na-H"	44.97116
"1132352"	396.05766	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2Na-H"	44.97116
"174789"	374.075718	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+2Na"	45.978436
"617876"	549.618968	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+2Na"	45.978436
"1117735"	198.532468	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2Na"	45.978436
"1401259"	132.690737333333	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H+2Na"	46.985712
"1431549"	398.099246	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H+HCOOH"	47.012746
"221003"	379.10874	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+3H2O+2H"	56.04448
"1508942"	412.15129	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+IsoProp+H"	61.06479
"409363"	382.062688	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+Na+K"	61.952376
"770601"	557.605938	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+Na+K"	61.952376
"1668153"	206.519438	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Na+K"	61.952376
"255767"	766.188768	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+ACN+Na"	64.015768
"1231763"	415.102268	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+ACN+Na"	64.015768
"1717732"	415.125793	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+NH4+HCOOH"	64.039293
"1180170"	140.018051333333	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+3Na"	68.967654
"1650426"	420.081188	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Na+HCOOH"	68.994688
"157769"	779.09204	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+2K-H"	76.91904
"598056"	1130.17854	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+2K-H"	76.91904
"1085360"	428.00554	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2K-H"	76.91904
"141779"	390.049658	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"2M+2K"	77.926316
"582468"	565.592908	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"3M+2K"	77.926316
"1069652"	214.506408	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2K"	77.926316
"1100228"	430.020092	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2K+H"	78.933592
"1336331"	430.107707	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+DMSO+H"	79.021207
"1006072"	434.146876	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2ACN+H"	83.060376
"1525295"	435.140508	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+IsoProp+Na+H"	84.054008
"990443"	217.577076	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+2ACN+2H"	84.067652
"1587300"	436.055128	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+K+HCOOH"	84.968628
"1416051"	466.086638	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+H+CF3COOH"	115.000138
"1148536"	238.090351	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+3ACN+2H"	125.094202
"1700274"	483.113185	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+NH4+CF3COOH"	132.026685
"1640299"	488.06858	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+Na+CF3COOH"	136.98208
"1573760"	504.04252	"C13229"	"Sulpyrine;Dipyrone monohydrate;Dipyrone"	"C13H16N3O4SNaH2O"	"351.0865"	"M+K+CF3COOH"	152.95602
"811784"	326.1397	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M"	0
"978756"	307.12131	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-H2O-H"	-19.01839
"69189"	216.419190666667	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M-3H"	-3.021828
"505475"	325.132424	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M-3H"	-3.021828
"880722"	107.705957333333	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-3H"	-3.021828
"9504"	325.132424	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M-2H"	-2.014552
"444688"	488.202274	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M-2H"	-2.014552
"820303"	162.062574	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-2H"	-2.014552
"80658"	651.272124	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M-H"	-1.007276
"522405"	977.411824	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M-H"	-1.007276
"897291"	325.132424	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-H"	-1.007276
"47778"	668.298671	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M-2H+NH4"	16.019271
"487702"	994.438371	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M-2H+NH4"	16.019271
"865385"	342.158971	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-2H+NH4"	16.019271
"32070"	673.254066	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M-2H+Na"	20.974666
"471873"	999.393766	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M-2H+Na"	20.974666
"848778"	347.114366	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-2H+Na"	20.974666
"1622736"	347.114366	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Na-2H"	20.974666
"100723"	343.120763	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M-H+Cl"	33.962126
"536031"	506.190613	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M-H+Cl"	33.962126
"928335"	180.050913	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-H+Cl"	33.962126
"270172"	687.248802	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+Cl"	34.969402
"663688"	1013.388502	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+Cl"	34.969402
"1275360"	361.109102	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Cl"	34.969402
"21930"	689.228006	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M-2H+K"	36.948606
"464771"	1015.367706	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M-2H+K"	36.948606
"843666"	363.088306	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-2H+K"	36.948606
"1558406"	363.088306	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+K-2H"	36.948606
"948476"	371.137894	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-H+HCOOH"	44.998194
"368879"	697.277601	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+HCOOH-H"	44.998201
"350575"	711.293251	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+Hac-H"	59.013851
"1498313"	385.153551	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Hac-H"	59.013851
"961480"	393.119851	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-H+NaCOOH"	66.980151
"110631"	361.109102	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+2Cl"	69.938804
"551041"	524.178952	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+2Cl"	69.938804
"1030776"	198.039252	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2Cl"	69.938804
"1243794"	405.058585	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Br"	78.918885
"1311710"	407.114572	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Cl+HCOOH"	80.974872
"1324833"	429.096529	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Cl+NaCOOH"	102.956829
"911758"	439.125286	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M-H+CF3COOH"	112.985586
"1290417"	475.101964	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Cl+CF3COOH"	148.962264
"1377328"	291.127024	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H-2H2O"	-35.012676
"1389358"	309.137	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H-H2O"	-17.0027
"286858"	653.286676	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+H"	1.007276
"683653"	979.426376	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+H"	1.007276
"1360001"	327.146976	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H"	1.007276
"129973"	327.146976	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+2H"	2.014552
"568439"	490.216826	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+2H"	2.014552
"1042343"	164.077126	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2H"	2.014552
"207326"	218.433742666667	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+3H"	3.021828
"659803"	327.146976	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+3H"	3.021828
"1178274"	109.720509333333	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+3H"	3.021828
"437772"	670.313223	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+NH4"	18.033823
"797674"	996.452923	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+NH4"	18.033823
"1691818"	344.173523	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+NH4"	18.033823
"335720"	335.6602495	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+H+NH4"	19.041099
"732515"	498.7300995	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+H+NH4"	19.041099
"1477589"	172.5903995	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H+NH4"	19.041099
"394326"	675.268618	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+Na"	22.989218
"760549"	1001.408318	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+Na"	22.989218
"1607553"	349.128918	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Na"	22.989218
"321967"	338.137947	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+H+Na"	23.996494
"707614"	501.207797	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+H+Na"	23.996494
"1469297"	175.068097	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H+Na"	23.996494
"1055984"	117.047823333333	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2H+Na"	25.00377
"1258270"	359.173186	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+CH3OH+H"	33.033486
"380614"	691.242558	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+K"	38.963158
"745983"	1017.382258	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+K"	38.963158
"1540501"	365.102858	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+K"	38.963158
"301200"	346.124917	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+H+K"	39.970434
"695080"	509.194767	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+H+K"	39.970434
"1449631"	183.055067	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H+K"	39.970434
"238963"	694.313226	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+ACN+H"	42.033826
"1211670"	368.173526	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+ACN+H"	42.033826
"1201025"	184.590401	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+ACN+2H"	43.041102
"192074"	697.25056	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+2Na-H"	44.97116
"634549"	1023.39026	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+2Na-H"	44.97116
"1131627"	371.11086	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2Na-H"	44.97116
"172925"	349.128918	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+2Na"	45.978436
"616529"	512.198768	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+2Na"	45.978436
"1118943"	186.059068	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2Na"	45.978436
"1399910"	124.375137333333	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H+2Na"	46.985712
"1430204"	373.152446	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H+HCOOH"	47.012746
"220628"	354.16194	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+3H2O+2H"	56.04448
"1508608"	387.20449	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+IsoProp+H"	61.06479
"408866"	357.115888	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+Na+K"	61.952376
"769958"	520.185738	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+Na+K"	61.952376
"1665788"	194.046038	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Na+K"	61.952376
"252962"	716.295168	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+ACN+Na"	64.015768
"1230050"	390.155468	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+ACN+Na"	64.015768
"1716749"	390.178993	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+NH4+HCOOH"	64.039293
"1179794"	131.702451333333	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+3Na"	68.967654
"1650415"	395.134388	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Na+HCOOH"	68.994688
"157551"	729.19844	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+2K-H"	76.91904
"597233"	1055.33814	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+2K-H"	76.91904
"1084621"	403.05874	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2K-H"	76.91904
"141519"	365.102858	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"2M+2K"	77.926316
"581482"	528.172708	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"3M+2K"	77.926316
"1068912"	202.033008	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2K"	77.926316
"1100662"	405.073292	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2K+H"	78.933592
"1335830"	405.160907	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+DMSO+H"	79.021207
"1005750"	409.200076	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2ACN+H"	83.060376
"1524429"	410.193708	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+IsoProp+Na+H"	84.054008
"989960"	205.103676	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+2ACN+2H"	84.067652
"1587203"	411.108328	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+K+HCOOH"	84.968628
"1415433"	441.139838	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+H+CF3COOH"	115.000138
"1149735"	225.616951	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+3ACN+2H"	125.094202
"1700382"	458.166385	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+NH4+CF3COOH"	132.026685
"1640409"	463.12178	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+Na+CF3COOH"	136.98208
"1571926"	479.09572	"C13235"	"Procaterol hydrochloride;Lontermin"	"C16H22N2O3HCl"	"326.1397"	"M+K+CF3COOH"	152.95602
"811894"	74.0732	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M"	0
"978866"	55.05481	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-H2O-H"	-19.01839
"70392"	48.3748573333333	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M-3H"	-3.021828
"507772"	73.065924	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M-3H"	-3.021828
"879937"	23.6837906666667	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-3H"	-3.021828
"5240"	73.065924	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M-2H"	-2.014552
"441518"	110.102524	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M-2H"	-2.014552
"818225"	36.029324	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-2H"	-2.014552
"79796"	147.139124	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M-H"	-1.007276
"521787"	221.212324	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M-H"	-1.007276
"898131"	73.065924	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-H"	-1.007276
"49590"	164.165671	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M-2H+NH4"	16.019271
"490242"	238.238871	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M-2H+NH4"	16.019271
"867317"	90.092471	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-2H+NH4"	16.019271
"33398"	169.121066	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M-2H+Na"	20.974666
"473688"	243.194266	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M-2H+Na"	20.974666
"850030"	95.047866	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-2H+Na"	20.974666
"1621751"	95.047866	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Na-2H"	20.974666
"97554"	91.054263	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M-H+Cl"	33.962126
"538209"	128.090863	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M-H+Cl"	33.962126
"931726"	54.017663	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-H+Cl"	33.962126
"273563"	183.115802	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+Cl"	34.969402
"664892"	257.189002	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+Cl"	34.969402
"1286655"	109.042602	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Cl"	34.969402
"24228"	185.095006	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M-2H+K"	36.948606
"463788"	259.168206	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M-2H+K"	36.948606
"845963"	111.021806	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-2H+K"	36.948606
"1567265"	111.021806	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+K-2H"	36.948606
"948586"	119.071394	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-H+HCOOH"	44.998194
"371177"	193.144601	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+HCOOH-H"	44.998201
"353967"	207.160251	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+Hac-H"	59.013851
"1499519"	133.087051	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Hac-H"	59.013851
"962686"	141.053351	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-H+NaCOOH"	66.980151
"115966"	109.042602	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+2Cl"	69.938804
"557713"	146.079202	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+2Cl"	69.938804
"1031980"	72.006002	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2Cl"	69.938804
"1252652"	152.992085	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Br"	78.918885
"1319111"	155.048072	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Cl+HCOOH"	80.974872
"1330410"	177.030029	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Cl+NaCOOH"	102.956829
"923661"	187.058786	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M-H+CF3COOH"	112.985586
"1299278"	223.035464	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Cl+CF3COOH"	148.962264
"1373065"	39.060524	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H-2H2O"	-35.012676
"1386188"	57.0705	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H-H2O"	-17.0027
"290248"	149.153676	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+H"	1.007276
"683763"	223.226876	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+H"	1.007276
"1360111"	75.080476	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H"	1.007276
"130812"	75.080476	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+2H"	2.014552
"568185"	112.117076	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+2H"	2.014552
"1043546"	38.043876	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2H"	2.014552
"207437"	50.3894093333333	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+3H"	3.021828
"659643"	75.080476	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+3H"	3.021828
"1176440"	25.6983426666667	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+3H"	3.021828
"437882"	166.180223	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+NH4"	18.033823
"794504"	240.253423	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+NH4"	18.033823
"1689742"	92.107023	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+NH4"	18.033823
"334736"	83.5937495	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+H+NH4"	19.041099
"729344"	120.6303495	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+H+NH4"	19.041099
"1479158"	46.5571495	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H+NH4"	19.041099
"395288"	171.135618	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+Na"	22.989218
"762846"	245.208818	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+Na"	22.989218
"1607664"	97.062418	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Na"	22.989218
"320984"	86.071447	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+H+Na"	23.996494
"709388"	123.108047	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+H+Na"	23.996494
"1468315"	49.034847	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H+Na"	23.996494
"1058280"	33.0256566666667	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2H+Na"	25.00377
"1261054"	107.106686	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+CH3OH+H"	33.033486
"384005"	187.109558	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+K"	38.963158
"743908"	261.182758	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+K"	38.963158
"1544136"	113.036358	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+K"	38.963158
"302769"	94.058417	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+H+K"	39.970434
"694097"	131.095017	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+H+K"	39.970434
"1451564"	57.021817	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H+K"	39.970434
"239073"	190.180226	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+ACN+H"	42.033826
"1213967"	116.107026	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+ACN+H"	42.033826
"1203321"	58.557151	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+ACN+2H"	43.041102
"191090"	193.11756	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+2Na-H"	44.97116
"639032"	267.19076	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+2Na-H"	44.97116
"1133792"	119.04436	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2Na-H"	44.97116
"174162"	97.062418	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+2Na"	45.978436
"614089"	134.099018	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+2Na"	45.978436
"1117223"	60.025818	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2Na"	45.978436
"1400023"	40.3529706666667	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H+2Na"	46.985712
"1432135"	121.085946	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H+HCOOH"	47.012746
"221588"	102.09544	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+3H2O+2H"	56.04448
"1511351"	135.13799	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+IsoProp+H"	61.06479
"410675"	105.049388	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+Na+K"	61.952376
"770340"	142.085988	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+Na+K"	61.952376
"1665979"	68.012788	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Na+K"	61.952376
"252098"	212.162168	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+ACN+Na"	64.015768
"1226022"	138.088968	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+ACN+Na"	64.015768
"1714663"	138.112493	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+NH4+HCOOH"	64.039293
"1178718"	47.6802846666667	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+3Na"	68.967654
"1649948"	143.067888	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Na+HCOOH"	68.994688
"157498"	225.06544	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+2K-H"	76.91904
"597906"	299.13864	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+2K-H"	76.91904
"1085943"	150.99224	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2K-H"	76.91904
"142758"	113.036358	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"2M+2K"	77.926316
"581710"	150.072958	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"3M+2K"	77.926316
"1070113"	75.999758	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2K"	77.926316
"1101500"	153.006792	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2K+H"	78.933592
"1336425"	153.094407	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+DMSO+H"	79.021207
"1005968"	157.133576	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2ACN+H"	83.060376
"1524782"	158.127208	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+IsoProp+Na+H"	84.054008
"989988"	79.070426	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+2ACN+2H"	84.067652
"1587109"	159.041828	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+K+HCOOH"	84.968628
"1414933"	189.073338	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+H+CF3COOH"	115.000138
"1149848"	99.583701	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+3ACN+2H"	125.094202
"1702678"	206.099885	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+NH4+CF3COOH"	132.026685
"1640519"	211.05528	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+Na+CF3COOH"	136.98208
"1571915"	227.02922	"C13240"	"Ether;Anesthetic ether;Diethyl ether"	"C4H10O"	"74.0732"	"M+K+CF3COOH"	152.95602
"812004"	188.095	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M"	0
"982256"	169.07661	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-H2O-H"	-19.01839
"69409"	124.389390666667	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M-3H"	-3.021828
"505330"	187.087724	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M-3H"	-3.021828
"880323"	61.6910573333333	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-3H"	-3.021828
"7536"	187.087724	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M-2H"	-2.014552
"440248"	281.135224	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M-2H"	-2.014552
"817846"	93.040224	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-2H"	-2.014552
"80876"	375.182724	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M-H"	-1.007276
"520800"	563.277724	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M-H"	-1.007276
"896538"	187.087724	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-H"	-1.007276
"48724"	392.209271	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M-2H+NH4"	16.019271
"488285"	580.304271	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M-2H+NH4"	16.019271
"864751"	204.114271	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-2H+NH4"	16.019271
"33142"	397.164666	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M-2H+Na"	20.974666
"472820"	585.259666	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M-2H+Na"	20.974666
"850016"	209.069666	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-2H+Na"	20.974666
"1622225"	209.069666	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Na-2H"	20.974666
"95841"	205.076063	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M-H+Cl"	33.962126
"539412"	299.123563	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M-H+Cl"	33.962126
"934024"	111.028563	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-H+Cl"	33.962126
"269299"	411.159402	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+Cl"	34.969402
"665002"	599.254402	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+Cl"	34.969402
"1282875"	223.064402	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Cl"	34.969402
"19963"	413.138606	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M-2H+K"	36.948606
"462804"	601.233606	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M-2H+K"	36.948606
"844980"	225.043606	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-2H+K"	36.948606
"1566281"	225.043606	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+K-2H"	36.948606
"948696"	233.093194	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-H+HCOOH"	44.998194
"365819"	421.188201	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+HCOOH-H"	44.998201
"356264"	435.203851	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+Hac-H"	59.013851
"1499629"	247.108851	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Hac-H"	59.013851
"959637"	255.075151	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-H+NaCOOH"	66.980151
"119356"	223.064402	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+2Cl"	69.938804
"557823"	317.111902	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+2Cl"	69.938804
"1033183"	129.016902	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2Cl"	69.938804
"1250575"	267.013885	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Br"	78.918885
"1317762"	269.069872	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Cl+HCOOH"	80.974872
"1330521"	291.051829	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Cl+NaCOOH"	102.956829
"922678"	301.080586	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M-H+CF3COOH"	112.985586
"1299388"	337.057264	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Cl+CF3COOH"	148.962264
"1377549"	153.082324	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H-2H2O"	-35.012676
"1389578"	171.0923	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H-H2O"	-17.0027
"290358"	377.197276	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+H"	1.007276
"687153"	565.292276	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+H"	1.007276
"1363501"	189.102276	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H"	1.007276
"135296"	189.102276	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+2H"	2.014552
"569752"	283.149776	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+2H"	2.014552
"1043657"	95.054776	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2H"	2.014552
"208277"	126.403942666667	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+3H"	3.021828
"653309"	189.102276	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+3H"	3.021828
"1178042"	63.7056093333333	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+3H"	3.021828
"439457"	394.223823	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+NH4"	18.033823
"796798"	582.318823	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+NH4"	18.033823
"1689848"	206.128823	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+NH4"	18.033823
"334846"	197.6155495	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+H+NH4"	19.041099
"726173"	291.6630495	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+H+NH4"	19.041099
"1478538"	103.5680495	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H+NH4"	19.041099
"398678"	399.179218	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+Na"	22.989218
"759676"	587.274218	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+Na"	22.989218
"1607774"	211.084218	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Na"	22.989218
"317814"	200.093247	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+H+Na"	23.996494
"712418"	294.140747	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+H+Na"	23.996494
"1468425"	106.045747	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H+Na"	23.996494
"1061671"	71.0329233333333	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2H+Na"	25.00377
"1262257"	221.128486	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+CH3OH+H"	33.033486
"381201"	415.153158	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+K"	38.963158
"745112"	603.248158	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+K"	38.963158
"1543880"	227.058158	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+K"	38.963158
"305796"	208.080217	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+H+K"	39.970434
"694207"	302.127717	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+H+K"	39.970434
"1449852"	114.032717	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H+K"	39.970434
"239183"	418.223826	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+ACN+H"	42.033826
"1210916"	230.128826	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+ACN+H"	42.033826
"1202340"	115.568051	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+ACN+2H"	43.041102
"191201"	421.16116	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+2Na-H"	44.97116
"636957"	609.25616	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+2Na-H"	44.97116
"1137183"	233.06616	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2Na-H"	44.97116
"174635"	211.084218	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+2Na"	45.978436
"616020"	305.131718	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+2Na"	45.978436
"1117702"	117.036718	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2Na"	45.978436
"1408152"	78.3602373333333	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H+2Na"	46.985712
"1431883"	235.107746	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H+HCOOH"	47.012746
"221945"	216.11724	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+3H2O+2H"	56.04448
"1511826"	249.15979	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+IsoProp+H"	61.06479
"412246"	219.071188	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+Na+K"	61.952376
"772508"	313.118688	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+Na+K"	61.952376
"1666656"	125.023688	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Na+K"	61.952376
"253179"	440.205768	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+ACN+Na"	64.015768
"1228807"	252.110768	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+ACN+Na"	64.015768
"1714773"	252.134293	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+NH4+HCOOH"	64.039293
"1180485"	85.6875513333333	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+3Na"	68.967654
"1650337"	257.089688	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Na+HCOOH"	68.994688
"157848"	453.10904	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+2K-H"	76.91904
"597571"	641.20404	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+2K-H"	76.91904
"1085080"	265.01404	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2K-H"	76.91904
"142869"	227.058158	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"2M+2K"	77.926316
"582188"	321.105658	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"3M+2K"	77.926316
"1070222"	133.010658	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2K"	77.926316
"1100760"	267.028592	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2K+H"	78.933592
"1336418"	267.116207	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+DMSO+H"	79.021207
"1006042"	271.155376	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2ACN+H"	83.060376
"1524772"	272.149008	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+IsoProp+Na+H"	84.054008
"990207"	136.081326	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+2ACN+2H"	84.067652
"1587223"	273.063628	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+K+HCOOH"	84.968628
"1414307"	303.095138	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+H+CF3COOH"	115.000138
"1149958"	156.594601	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+3ACN+2H"	125.094202
"1700603"	320.121685	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+NH4+CF3COOH"	132.026685
"1640629"	325.07708	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+Na+CF3COOH"	136.98208
"1575186"	341.05102	"C13244"	"Antipyrine;Phenazone"	"C11H12N2O"	"188.095"	"M+K+CF3COOH"	152.95602
"817026"	293.994	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M"	0
"986742"	274.97561	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-H2O-H"	-19.01839
"74992"	194.988724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M-3H"	-3.021828
"507992"	292.986724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M-3H"	-3.021828
"881415"	96.990724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-3H"	-3.021828
"4365"	292.986724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M-2H"	-2.014552
"443927"	439.983724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M-2H"	-2.014552
"819905"	145.989724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-2H"	-2.014552
"82813"	586.980724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M-H"	-1.007276
"524196"	880.974724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M-H"	-1.007276
"899811"	292.986724	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-H"	-1.007276
"50177"	604.007271	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M-2H+NH4"	16.019271
"491923"	898.001271	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M-2H+NH4"	16.019271
"866809"	310.013271	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-2H+NH4"	16.019271
"33618"	608.962666	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M-2H+Na"	20.974666
"480473"	902.956666	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M-2H+Na"	20.974666
"850982"	314.968666	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-2H+Na"	20.974666
"1621244"	314.968666	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Na-2H"	20.974666
"96316"	310.975063	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M-H+Cl"	33.962126
"537700"	457.972063	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M-H+Cl"	33.962126
"937415"	163.978063	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-H+Cl"	33.962126
"277066"	622.957402	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+Cl"	34.969402
"669489"	916.951402	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+Cl"	34.969402
"1281890"	328.963402	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Cl"	34.969402
"23354"	624.936606	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M-2H+K"	36.948606
"460727"	918.930606	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M-2H+K"	36.948606
"836341"	330.942606	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-2H+K"	36.948606
"1563110"	330.942606	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+K-2H"	36.948606
"952088"	338.992194	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-H+HCOOH"	44.998194
"372491"	632.986201	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+HCOOH-H"	44.998201
"350906"	647.001851	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+Hac-H"	59.013851
"1500831"	353.007851	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Hac-H"	59.013851
"969466"	360.974151	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-H+NaCOOH"	66.980151
"120562"	328.963402	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+2Cl"	69.938804
"561216"	475.960402	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+2Cl"	69.938804
"1036826"	181.966402	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2Cl"	69.938804
"1252875"	372.912885	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Br"	78.918885
"1315321"	374.968872	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Cl+HCOOH"	80.974872
"1333549"	396.950829	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Cl+NaCOOH"	102.956829
"924981"	406.979586	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M-H+CF3COOH"	112.985586
"1300591"	442.956264	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Cl+CF3COOH"	148.962264
"1380577"	258.981324	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H-2H2O"	-35.012676
"1394062"	276.9913	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H-H2O"	-17.0027
"297030"	588.995276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+H"	1.007276
"690310"	882.989276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+H"	1.007276
"1366531"	295.001276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H"	1.007276
"138689"	295.001276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+2H"	2.014552
"576061"	441.998276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+2H"	2.014552
"1050693"	148.004276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2H"	2.014552
"211669"	197.003276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+3H"	3.021828
"659384"	295.001276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+3H"	3.021828
"1178454"	99.005276	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+3H"	3.021828
"439880"	606.021823	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+NH4"	18.033823
"801308"	900.015823	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+NH4"	18.033823
"1693239"	312.027823	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+NH4"	18.033823
"334960"	303.5145495	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+H+NH4"	19.041099
"727382"	450.5115495	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+H+NH4"	19.041099
"1484484"	156.5175495	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H+NH4"	19.041099
"403165"	610.977218	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+Na"	22.989218
"761972"	904.971218	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+Na"	22.989218
"1611167"	316.983218	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Na"	22.989218
"319018"	305.992247	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+H+Na"	23.996494
"716901"	452.989247	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+H+Na"	23.996494
"1467444"	158.995247	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H+Na"	23.996494
"1060692"	106.33259	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2H+Na"	25.00377
"1263465"	327.027486	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+CH3OH+H"	33.033486
"382041"	626.951158	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+K"	38.963158
"743400"	920.945158	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+K"	38.963158
"1543629"	332.957158	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+K"	38.963158
"306272"	313.979217	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+H+K"	39.970434
"696871"	460.976217	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+H+K"	39.970434
"1448140"	166.982217	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H+K"	39.970434
"247679"	630.021826	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+ACN+H"	42.033826
"1221480"	336.027826	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+ACN+H"	42.033826
"1202450"	168.517551	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+ACN+2H"	43.041102
"200789"	632.95916	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+2Na-H"	44.97116
"636342"	926.95316	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+2Na-H"	44.97116
"1135471"	338.96516	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2Na-H"	44.97116
"184956"	316.983218	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+2Na"	45.978436
"619049"	463.980218	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+2Na"	45.978436
"1120000"	169.986218	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2Na"	45.978436
"1407169"	113.659904	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H+2Na"	46.985712
"1431268"	341.006746	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H+HCOOH"	47.012746
"222052"	322.01624	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+3H2O+2H"	56.04448
"1510846"	355.05879	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+IsoProp+H"	61.06479
"409557"	324.970188	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+Na+K"	61.952376
"774450"	471.967188	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+Na+K"	61.952376
"1667866"	177.973188	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Na+K"	61.952376
"254019"	652.003768	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+ACN+Na"	64.015768
"1227825"	358.009768	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+ACN+Na"	64.015768
"1716713"	358.033293	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+NH4+HCOOH"	64.039293
"1178660"	120.987218	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+3Na"	68.967654
"1651959"	362.988688	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Na+HCOOH"	68.994688
"158452"	664.90704	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+2K-H"	76.91904
"598018"	958.90104	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+2K-H"	76.91904
"1084837"	370.91304	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2K-H"	76.91904
"141893"	332.957158	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"2M+2K"	77.926316
"581464"	479.954158	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"3M+2K"	77.926316
"1068716"	185.960158	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2K"	77.926316
"1100509"	372.927592	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2K+H"	78.933592
"1335966"	373.015207	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+DMSO+H"	79.021207
"1005955"	377.054376	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2ACN+H"	83.060376
"1524605"	378.048008	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+IsoProp+Na+H"	84.054008
"990242"	189.030826	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+2ACN+2H"	84.067652
"1587179"	378.962628	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+K+HCOOH"	84.968628
"1414665"	408.994138	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+H+CF3COOH"	115.000138
"1147509"	209.544101	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+3ACN+2H"	125.094202
"1700711"	426.020685	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+NH4+CF3COOH"	132.026685
"1640738"	430.97608	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+Na+CF3COOH"	136.98208
"1573107"	446.95002	"C13249"	"Sodium citrate;Trisodium citrate dihydrate"	"C6H5O72H2O3Na"	"293.994"	"M+K+CF3COOH"	152.95602
"814777"	840.3015	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M"	0
"982476"	821.28311	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-H2O-H"	-19.01839
"77656"	559.193724	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M-3H"	-3.021828
"508102"	839.294224	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M-3H"	-3.021828
"881528"	279.093224	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-3H"	-3.021828
"953"	839.294224	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M-2H"	-2.014552
"444039"	1259.444974	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M-2H"	-2.014552
"820747"	419.143474	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-2H"	-2.014552
"85114"	1679.595724	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M-H"	-1.007276
"523581"	2519.897224	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M-H"	-1.007276
"906853"	839.294224	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-H"	-1.007276
"53573"	1696.622271	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M-2H+NH4"	16.019271
"496414"	2536.923771	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M-2H+NH4"	16.019271
"872029"	856.320771	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-2H+NH4"	16.019271
"34459"	1701.577666	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M-2H+Na"	20.974666
"486053"	2541.879166	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M-2H+Na"	20.974666
"857294"	861.276166	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-2H+Na"	20.974666
"1627919"	861.276166	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Na-2H"	20.974666
"98980"	857.282563	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M-H+Cl"	33.962126
"542916"	1277.433313	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M-H+Cl"	33.962126
"935339"	437.131813	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-H+Cl"	33.962126
"277177"	1715.572402	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+Cl"	34.969402
"672880"	2555.873902	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+Cl"	34.969402
"1283095"	875.270902	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Cl"	34.969402
"23465"	1717.551606	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M-2H+K"	36.948606
"464119"	2557.853106	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M-2H+K"	36.948606
"847023"	877.250106	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-2H+K"	36.948606
"1569420"	877.250106	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+K-2H"	36.948606
"958314"	885.299694	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-H+HCOOH"	44.998194
"375153"	1725.601201	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+HCOOH-H"	44.998201
"354297"	1739.616851	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+Hac-H"	59.013851
"1504951"	899.315351	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Hac-H"	59.013851
"969577"	907.281651	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-H+NaCOOH"	66.980151
"123590"	875.270902	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+2Cl"	69.938804
"561326"	1295.421652	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+2Cl"	69.938804
"1035959"	455.120152	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2Cl"	69.938804
"1252986"	919.220385	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Br"	78.918885
"1313244"	921.276372	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Cl+HCOOH"	80.974872
"1331837"	943.258329	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Cl+NaCOOH"	102.956829
"925459"	953.287086	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M-H+CF3COOH"	112.985586
"1303629"	989.263764	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Cl+CF3COOH"	148.962264
"1376678"	805.288824	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H-2H2O"	-35.012676
"1397340"	823.2988	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H-H2O"	-17.0027
"298242"	1681.610276	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+H"	1.007276
"690661"	2521.911776	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+H"	1.007276
"1366525"	841.308776	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H"	1.007276
"137710"	841.308776	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+2H"	2.014552
"579087"	1261.459526	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+2H"	2.014552
"1049711"	421.158026	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2H"	2.014552
"212873"	561.208276	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+3H"	3.021828
"659800"	841.308776	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+3H"	3.021828
"1178344"	281.107776	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+3H"	3.021828
"438221"	1698.636823	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+NH4"	18.033823
"800307"	2538.938323	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+NH4"	18.033823
"1696637"	858.335323	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+NH4"	18.033823
"342001"	849.8220495	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+H+NH4"	19.041099
"734053"	1269.9727995	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+H+NH4"	19.041099
"1490428"	429.6712995	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H+NH4"	19.041099
"405828"	1703.592218	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+Na"	22.989218
"764269"	2543.893718	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+Na"	22.989218
"1613464"	863.290718	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Na"	22.989218
"324595"	852.299747	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+H+Na"	23.996494
"718114"	1272.450497	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+H+Na"	23.996494
"1471933"	432.148997	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H+Na"	23.996494
"1058615"	288.43509	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2H+Na"	25.00377
"1267948"	873.334986	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+CH3OH+H"	33.033486
"385430"	1719.566158	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+K"	38.963158
"746427"	2559.867658	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+K"	38.963158
"1547386"	879.264658	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+K"	38.963158
"307841"	860.286717	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+H+K"	39.970434
"698075"	1280.437467	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+H+K"	39.970434
"1451898"	440.135967	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H+K"	39.970434
"248153"	1722.636826	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+ACN+H"	42.033826
"1221954"	882.335326	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+ACN+H"	42.033826
"1204747"	441.671301	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+ACN+2H"	43.041102
"201992"	1725.57416	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+2Na-H"	44.97116
"636088"	2565.87566	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+2Na-H"	44.97116
"1138134"	885.27266	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2Na-H"	44.97116
"185067"	863.290718	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+2Na"	45.978436
"615880"	1283.441468	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+2Na"	45.978436
"1118654"	443.139968	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2Na"	45.978436
"1403999"	295.762404	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H+2Na"	46.985712
"1431134"	887.314246	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H+HCOOH"	47.012746
"222167"	868.32374	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+3H2O+2H"	56.04448
"1509864"	901.36629	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+IsoProp+H"	61.06479
"408822"	871.277688	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+Na+K"	61.952376
"773831"	1291.428438	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+Na+K"	61.952376
"1667976"	451.126938	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Na+K"	61.952376
"253765"	1744.618768	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+ACN+Na"	64.015768
"1229395"	904.317268	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+ACN+Na"	64.015768
"1720108"	904.340793	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+NH4+HCOOH"	64.039293
"1180359"	303.089718	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+3Na"	68.967654
"1655356"	909.296188	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Na+HCOOH"	68.994688
"160031"	1757.52204	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+2K-H"	76.91904
"597318"	2597.82354	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+2K-H"	76.91904
"1087383"	917.22054	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2K-H"	76.91904
"144564"	879.264658	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"2M+2K"	77.926316
"583151"	1299.415408	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"3M+2K"	77.926316
"1070581"	459.113908	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2K"	77.926316
"1100750"	919.235092	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2K+H"	78.933592
"1337867"	919.322707	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+DMSO+H"	79.021207
"1005907"	923.361876	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2ACN+H"	83.060376
"1525004"	924.355508	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+IsoProp+Na+H"	84.054008
"991697"	462.184576	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+2ACN+2H"	84.067652
"1587077"	925.270128	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+K+HCOOH"	84.968628
"1414412"	955.301638	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+H+CF3COOH"	115.000138
"1151271"	482.697851	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+3ACN+2H"	125.094202
"1703009"	972.328185	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+NH4+CF3COOH"	132.026685
"1640848"	977.28358	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+Na+CF3COOH"	136.98208
"1573217"	993.25752	"C13254"	"Mebhydrolin napadisilate;Diazoline"	"(C19H20N2)2C10H8O6S2"	"840.3015"	"M+K+CF3COOH"	152.95602
"812334"	493.1631	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M"	0
"979306"	474.14471	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-H2O-H"	-19.01839
"78125"	327.768124	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M-3H"	-3.021828
"514773"	492.155824	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M-3H"	-3.021828
"883822"	163.380424	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-3H"	-3.021828
"3492"	492.155824	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M-2H"	-2.014552
"444147"	738.737374	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M-2H"	-2.014552
"817166"	245.574274	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-2H"	-2.014552
"80845"	985.318924	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M-H"	-1.007276
"520043"	1478.482024	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M-H"	-1.007276
"896869"	492.155824	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-H"	-1.007276
"48937"	1002.345471	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M-2H+NH4"	16.019271
"487522"	1495.508571	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M-2H+NH4"	16.019271
"872139"	509.182371	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-2H+NH4"	16.019271
"33475"	1007.300866	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M-2H+Na"	20.974666
"478507"	1500.463966	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M-2H+Na"	20.974666
"854121"	514.137766	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-2H+Na"	20.974666
"1622924"	514.137766	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Na-2H"	20.974666
"97630"	510.144163	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M-H+Cl"	33.962126
"538650"	756.725713	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M-H+Cl"	33.962126
"937636"	263.562613	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-H+Cl"	33.962126
"274006"	1021.295602	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+Cl"	34.969402
"661442"	1514.458702	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+Cl"	34.969402
"1283205"	528.132502	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Cl"	34.969402
"23576"	1023.274806	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M-2H+K"	36.948606
"464229"	1516.437906	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M-2H+K"	36.948606
"845312"	530.111706	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-2H+K"	36.948606
"1569531"	530.111706	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+K-2H"	36.948606
"953401"	538.161294	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-H+HCOOH"	44.998194
"373439"	1031.324401	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+HCOOH-H"	44.998201
"354407"	1045.340051	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+Hac-H"	59.013851
"1505427"	552.176951	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Hac-H"	59.013851
"968959"	560.143251	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-H+NaCOOH"	66.980151
"118593"	528.132502	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+2Cl"	69.938804
"563622"	774.714052	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+2Cl"	69.938804
"1035703"	281.550952	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2Cl"	69.938804
"1254189"	572.081985	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Br"	78.918885
"1311168"	574.137972	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Cl+HCOOH"	80.974872
"1334133"	596.119929	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Cl+NaCOOH"	102.956829
"926299"	606.148686	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M-H+CF3COOH"	112.985586
"1302403"	642.125364	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Cl+CF3COOH"	148.962264
"1382381"	458.150424	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H-2H2O"	-35.012676
"1398137"	476.1604	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H-H2O"	-17.0027
"296893"	987.333476	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+H"	1.007276
"689312"	1480.496576	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+H"	1.007276
"1365298"	494.170376	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H"	1.007276
"138545"	494.170376	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+2H"	2.014552
"577742"	740.751926	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+2H"	2.014552
"1048362"	247.588826	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2H"	2.014552
"210797"	329.782676	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+3H"	3.021828
"659118"	494.170376	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+3H"	3.021828
"1175047"	165.394976	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+3H"	3.021828
"439784"	1004.360023	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+NH4"	18.033823
"801023"	1497.523123	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+NH4"	18.033823
"1696707"	511.196923	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+NH4"	18.033823
"341745"	502.6836495	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+H+NH4"	19.041099
"735258"	749.2651995	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+H+NH4"	19.041099
"1490903"	256.1020995	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H+NH4"	19.041099
"407035"	1009.315418	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+Na"	22.989218
"763286"	1502.478518	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+Na"	22.989218
"1614668"	516.152318	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Na"	22.989218
"326892"	505.161347	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+H+Na"	23.996494
"720411"	751.742897	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+H+Na"	23.996494
"1474229"	258.579797	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H+Na"	23.996494
"1057632"	172.72229	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2H+Na"	25.00377
"1265872"	526.196586	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+CH3OH+H"	33.033486
"388822"	1025.289358	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+K"	38.963158
"747631"	1518.452458	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+K"	38.963158
"1544218"	532.126258	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+K"	38.963158
"306858"	513.148317	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+H+K"	39.970434
"699280"	759.729867	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+H+K"	39.970434
"1453103"	266.566767	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H+K"	39.970434
"246078"	1028.360026	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+ACN+H"	42.033826
"1222064"	535.196926	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+ACN+H"	42.033826
"1207044"	268.102101	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+ACN+2H"	43.041102
"197367"	1031.29736	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+2Na-H"	44.97116
"634011"	1524.46046	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+2Na-H"	44.97116
"1141890"	538.13426	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2Na-H"	44.97116
"185177"	516.152318	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+2Na"	45.978436
"614895"	762.733868	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+2Na"	45.978436
"1118396"	269.570768	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2Na"	45.978436
"1401921"	180.049604	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H+2Na"	46.985712
"1432577"	540.175846	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H+HCOOH"	47.012746
"221059"	521.18534	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+3H2O+2H"	56.04448
"1509973"	554.22789	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+IsoProp+H"	61.06479
"409051"	524.139288	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+Na+K"	61.952376
"772482"	770.720838	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+Na+K"	61.952376
"1668086"	277.557738	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Na+K"	61.952376
"252417"	1050.341968	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+ACN+Na"	64.015768
"1231328"	557.178868	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+ACN+Na"	64.015768
"1716207"	557.202393	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+NH4+HCOOH"	64.039293
"1185577"	187.376918	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+3Na"	68.967654
"1652188"	562.157788	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Na+HCOOH"	68.994688
"161601"	1063.24524	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+2K-H"	76.91904
"600428"	1556.40834	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+2K-H"	76.91904
"1086399"	570.08214	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2K-H"	76.91904
"141999"	532.126258	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"2M+2K"	77.926316
"583505"	778.707808	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"3M+2K"	77.926316
"1068628"	285.544708	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2K"	77.926316
"1100254"	572.096692	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2K+H"	78.933592
"1336032"	572.184307	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+DMSO+H"	79.021207
"1007602"	576.223476	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2ACN+H"	83.060376
"1524875"	577.217108	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+IsoProp+Na+H"	84.054008
"990837"	288.615376	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+2ACN+2H"	84.067652
"1587160"	578.131728	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+K+HCOOH"	84.968628
"1414646"	608.163238	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+H+CF3COOH"	115.000138
"1151380"	309.128651	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+3ACN+2H"	125.094202
"1702026"	625.189785	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+NH4+CF3COOH"	132.026685
"1638771"	630.14518	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+Na+CF3COOH"	136.98208
"1571544"	646.11912	"C13269"	"Aspoxicillin"	"C21H27N5O7S"	"493.1631"	"M+K+CF3COOH"	152.95602
"814996"	306.2559	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M"	0
"985978"	287.23751	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"73131"	203.163324	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"509416"	305.248624	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"882110"	101.078024	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"1415"	305.248624	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"441339"	458.376574	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"818779"	152.120674	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"83142"	611.504524	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"521611"	917.760424	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"896496"	305.248624	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"52694"	628.531071	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"490067"	934.786971	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"870062"	322.275171	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"35772"	633.486466	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"476430"	939.742366	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"850950"	327.230566	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1623763"	327.230566	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"95551"	323.236963	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"537666"	476.364913	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"932279"	170.109013	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"269742"	647.481202	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"663256"	953.737102	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1281127"	341.225302	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"23686"	649.460406	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"462152"	955.716306	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"844329"	343.204506	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1569276"	343.204506	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"954604"	351.254094	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"371726"	657.510001	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"354517"	671.525651	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1506996"	365.269751	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"968703"	373.236051	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"116516"	341.225302	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"557169"	494.353252	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1028156"	188.097352	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1247735"	385.174785	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1307998"	387.230772	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1330961"	409.212729	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"926405"	419.241486	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1303117"	455.218164	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1377627"	271.243224	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1398005"	289.2532	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"295910"	613.519076	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"689058"	919.774976	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1364679"	307.263176	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"138654"	307.263176	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"578948"	460.391126	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1043005"	154.135226	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"210907"	205.177876	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"658858"	307.263176	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1174792"	103.092576	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"435516"	630.545623	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"799065"	936.801523	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1693205"	324.289723	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"342585"	315.7764495	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"729902"	468.9043995	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1490654"	162.6484995	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"405687"	635.501018	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"765218"	941.756918	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1609310"	329.245118	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"327367"	318.254147	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"720037"	471.382097	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1474222"	165.126197	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1063575"	110.41989	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1267076"	339.289386	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"385652"	651.474958	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"747741"	957.730858	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1543234"	345.219058	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"304782"	326.241117	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"696111"	479.369067	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1452118"	173.113167	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"242909"	654.545626	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1218897"	348.289726	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1204968"	174.648501	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"198570"	657.48296	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"630839"	963.73886	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1135074"	351.22706	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"182010"	329.245118	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"616829"	482.373068	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1117050"	176.117168	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1400210"	117.747204	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1431593"	353.268646	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"221651"	334.27814	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1509106"	367.32069	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"410135"	337.232088	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"773688"	490.360038	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1667836"	184.104138	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"253621"	676.527568	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1231439"	370.271668	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1716317"	370.295193	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1186780"	125.074518	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1656672"	375.250588	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"159524"	689.43084	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"600905"	995.68674	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1086146"	383.17494	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"147701"	345.219058	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"584346"	498.347008	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1070680"	192.091108	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1100730"	385.189492	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1339178"	385.277107	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1007712"	389.316276	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1524863"	390.309908	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"990461"	195.161776	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1587393"	391.224528	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1417919"	421.256038	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1150397"	215.675051	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1699949"	438.282585	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1644348"	443.23798	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1571735"	459.21192	"C13273"	"Plaunotol;18-Hydroxygeranylgeraniol"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"815106"	211.0593	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M"	0
"984997"	192.04091	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-H2O-H"	-19.01839
"73241"	139.698924	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M-3H"	-3.021828
"513899"	210.052024	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M-3H"	-3.021828
"881854"	69.345824	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-3H"	-3.021828
"2618"	210.052024	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M-2H"	-2.014552
"443272"	315.581674	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M-2H"	-2.014552
"819982"	104.522374	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-2H"	-2.014552
"83252"	421.111324	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M-H"	-1.007276
"525001"	632.170624	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M-H"	-1.007276
"896971"	210.052024	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-H"	-1.007276
"50981"	438.137871	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M-2H+NH4"	16.019271
"489811"	649.197171	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M-2H+NH4"	16.019271
"874545"	227.078571	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-2H+NH4"	16.019271
"34790"	443.093266	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M-2H+Na"	20.974666
"475447"	654.152566	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M-2H+Na"	20.974666
"849272"	232.033966	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-2H+Na"	20.974666
"1621687"	232.033966	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Na-2H"	20.974666
"95294"	228.040363	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M-H+Cl"	33.962126
"538870"	333.570013	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M-H+Cl"	33.962126
"930202"	122.510713	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-H+Cl"	33.962126
"268757"	457.088002	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+Cl"	34.969402
"661297"	668.147302	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+Cl"	34.969402
"1275771"	246.028702	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Cl"	34.969402
"21609"	459.067206	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M-2H+K"	36.948606
"462262"	670.126506	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M-2H+K"	36.948606
"841158"	248.007906	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-2H+K"	36.948606
"1564646"	248.007906	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+K-2H"	36.948606
"944873"	256.057494	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-H+HCOOH"	44.998194
"368556"	467.116801	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+HCOOH-H"	44.998201
"355720"	481.132451	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+Hac-H"	59.013851
"1505283"	270.073151	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Hac-H"	59.013851
"968813"	278.039451	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-H+NaCOOH"	66.980151
"116626"	246.028702	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+2Cl"	69.938804
"555092"	351.558352	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+2Cl"	69.938804
"1028266"	140.499052	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2Cl"	69.938804
"1246751"	289.978185	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Br"	78.918885
"1308108"	292.034172	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Cl+HCOOH"	80.974872
"1331071"	314.016129	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Cl+NaCOOH"	102.956829
"923230"	324.044886	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M-H+CF3COOH"	112.985586
"1302128"	360.021564	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Cl+CF3COOH"	148.962264
"1377008"	176.046624	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H-2H2O"	-35.012676
"1398140"	194.0566	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H-H2O"	-17.0027
"297475"	423.125876	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+H"	1.007276
"690262"	634.185176	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+H"	1.007276
"1365151"	212.066576	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H"	1.007276
"140587"	212.066576	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+2H"	2.014552
"579058"	317.596226	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+2H"	2.014552
"1045302"	106.536926	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2H"	2.014552
"216485"	141.713476	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+3H"	3.021828
"658359"	212.066576	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+3H"	3.021828
"1173079"	71.360376	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+3H"	3.021828
"435260"	440.152423	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+NH4"	18.033823
"797349"	651.211723	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+NH4"	18.033823
"1693679"	229.093123	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+NH4"	18.033823
"342330"	220.5798495	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+H+NH4"	19.041099
"734751"	326.1094995	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+H+NH4"	19.041099
"1489301"	115.0501995	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H+NH4"	19.041099
"407983"	445.107818	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+Na"	22.989218
"765328"	656.167118	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+Na"	22.989218
"1612699"	234.048518	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Na"	22.989218
"327113"	223.057547	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+H+Na"	23.996494
"719169"	328.587197	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+H+Na"	23.996494
"1474452"	117.527897	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H+Na"	23.996494
"1064049"	78.68769	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2H+Na"	25.00377
"1269008"	244.092786	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+CH3OH+H"	33.033486
"389041"	461.081758	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+K"	38.963158
"747851"	672.141058	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+K"	38.963158
"1545530"	250.022458	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+K"	38.963158
"303803"	231.044517	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+H+K"	39.970434
"696223"	336.574167	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+H+K"	39.970434
"1451134"	125.514867	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H+K"	39.970434
"245204"	464.152426	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+ACN+H"	42.033826
"1216821"	253.093126	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+ACN+H"	42.033826
"1203983"	127.050201	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+ACN+2H"	43.041102
"194669"	467.08976	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+2Na-H"	44.97116
"639699"	678.14906	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+2Na-H"	44.97116
"1134455"	256.03046	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2Na-H"	44.97116
"175558"	234.048518	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+2Na"	45.978436
"615844"	339.578168	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+2Na"	45.978436
"1118257"	128.518868	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2Na"	45.978436
"1400314"	86.015004	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H+2Na"	46.985712
"1431339"	258.072046	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H+HCOOH"	47.012746
"221274"	239.08154	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+3H2O+2H"	56.04448
"1509460"	272.12409	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+IsoProp+H"	61.06479
"409150"	242.035488	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+Na+K"	61.952376
"770264"	347.565138	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+Na+K"	61.952376
"1669038"	136.505838	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Na+K"	61.952376
"257745"	486.134368	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+ACN+Na"	64.015768
"1230455"	275.075068	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+ACN+Na"	64.015768
"1716063"	275.098593	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+NH4+HCOOH"	64.039293
"1187983"	93.342318	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+3Na"	68.967654
"1656782"	280.053988	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Na+HCOOH"	68.994688
"163643"	499.03764	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+2K-H"	76.91904
"602109"	710.09694	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+2K-H"	76.91904
"1088809"	287.97834	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2K-H"	76.91904
"142830"	250.022458	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"2M+2K"	77.926316
"584092"	355.552108	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"3M+2K"	77.926316
"1071885"	144.492808	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2K"	77.926316
"1104000"	289.992892	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2K+H"	78.933592
"1337344"	290.080507	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+DMSO+H"	79.021207
"1005995"	294.119676	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2ACN+H"	83.060376
"1525095"	295.113308	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+IsoProp+Na+H"	84.054008
"991301"	147.563476	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+2ACN+2H"	84.067652
"1587626"	296.027928	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+K+HCOOH"	84.968628
"1416935"	326.059438	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+H+CF3COOH"	115.000138
"1155976"	168.076751	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+3ACN+2H"	125.094202
"1706622"	343.085985	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+NH4+CF3COOH"	132.026685
"1642272"	348.04138	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+Na+CF3COOH"	136.98208
"1577922"	364.01532	"C13280"	"Nicorandil"	"C8H9N3O4"	"211.0593"	"M+K+CF3COOH"	152.95602
"812664"	330.2923	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M"	0
"988384"	311.27391	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-H2O-H"	-19.01839
"73351"	219.187590666667	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M-3H"	-3.021828
"516197"	329.285024	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M-3H"	-3.021828
"886341"	109.090157333333	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-3H"	-3.021828
"8197"	329.285024	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M-2H"	-2.014552
"444478"	494.431174	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M-2H"	-2.014552
"822280"	164.138874	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-2H"	-2.014552
"85550"	659.577324	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M-H"	-1.007276
"531552"	989.869624	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M-H"	-1.007276
"900730"	329.285024	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-H"	-1.007276
"52915"	676.603871	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M-2H+NH4"	16.019271
"492475"	1006.896171	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M-2H+NH4"	16.019271
"875749"	346.311571	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-2H+NH4"	16.019271
"39273"	681.559266	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M-2H+Na"	20.974666
"479930"	1011.851566	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M-2H+Na"	20.974666
"853359"	351.266966	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-2H+Na"	20.974666
"1621798"	351.266966	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Na-2H"	20.974666
"98327"	347.273363	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M-H+Cl"	33.962126
"542260"	512.419513	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M-H+Cl"	33.962126
"935780"	182.127213	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-H+Cl"	33.962126
"277616"	695.554002	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+Cl"	34.969402
"671130"	1025.846302	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+Cl"	34.969402
"1280255"	365.261702	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Cl"	34.969402
"27186"	697.533206	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M-2H+K"	36.948606
"464559"	1027.825506	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M-2H+K"	36.948606
"847465"	367.240906	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-2H+K"	36.948606
"1568036"	367.240906	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+K-2H"	36.948606
"948263"	375.290494	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-H+HCOOH"	44.998194
"367572"	705.582801	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+HCOOH-H"	44.998201
"358746"	719.598451	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+Hac-H"	59.013851
"1508275"	389.306151	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Hac-H"	59.013851
"970746"	397.272451	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-H+NaCOOH"	66.980151
"116736"	365.261702	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+2Cl"	69.938804
"556296"	530.407852	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+2Cl"	69.938804
"1025460"	200.115552	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2Cl"	69.938804
"1243944"	409.211185	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Br"	78.918885
"1311498"	411.267172	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Cl+HCOOH"	80.974872
"1327901"	433.249129	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Cl+NaCOOH"	102.956829
"926835"	443.277886	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M-H+CF3COOH"	112.985586
"1303658"	479.254564	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Cl+CF3COOH"	148.962264
"1382588"	295.279624	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H-2H2O"	-35.012676
"1397776"	313.2896	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H-H2O"	-17.0027
"297222"	661.591876	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+H"	1.007276
"690007"	991.884176	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+H"	1.007276
"1365990"	331.299576	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H"	1.007276
"139239"	331.299576	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+2H"	2.014552
"575519"	496.445726	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+2H"	2.014552
"1045412"	166.153426	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2H"	2.014552
"216595"	221.202142666667	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+3H"	3.021828
"657253"	331.299576	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+3H"	3.021828
"1175376"	111.104709333333	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+3H"	3.021828
"437195"	678.618423	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+NH4"	18.033823
"798917"	1008.910723	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+NH4"	18.033823
"1694884"	348.326123	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+NH4"	18.033823
"343897"	339.8128495	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+H+NH4"	19.041099
"733035"	504.9589995	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+H+NH4"	19.041099
"1490502"	174.6666995	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H+NH4"	19.041099
"403714"	683.573818	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+Na"	22.989218
"766895"	1013.866118	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+Na"	22.989218
"1613900"	353.281518	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Na"	22.989218
"326855"	342.290547	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+H+Na"	23.996494
"716358"	507.436697	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+H+Na"	23.996494
"1472370"	177.144397	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H+Na"	23.996494
"1063426"	118.432023333333	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2H+Na"	25.00377
"1268751"	363.325786	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+CH3OH+H"	33.033486
"388785"	699.547758	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+K"	38.963158
"749049"	1029.840058	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+K"	38.963158
"1546732"	369.255458	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+K"	38.963158
"307187"	350.277517	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+H+K"	39.970434
"699610"	515.423667	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+H+K"	39.970434
"1451245"	185.131367	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H+K"	39.970434
"244220"	702.618426	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+ACN+H"	42.033826
"1218023"	372.326126	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+ACN+H"	42.033826
"1201905"	186.666701	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+ACN+2H"	43.041102
"203039"	705.55576	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+2Na-H"	44.97116
"641995"	1035.84806	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+2Na-H"	44.97116
"1134567"	375.26346	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2Na-H"	44.97116
"175670"	353.281518	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+2Na"	45.978436
"622882"	518.427668	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+2Na"	45.978436
"1119829"	188.135368	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2Na"	45.978436
"1401164"	125.759337333333	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H+2Na"	46.985712
"1431448"	377.305046	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H+HCOOH"	47.012746
"221387"	358.31454	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+3H2O+2H"	56.04448
"1509694"	391.35709	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+IsoProp+H"	61.06479
"409990"	361.268488	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+Na+K"	61.952376
"771714"	526.414638	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+Na+K"	61.952376
"1669512"	196.122338	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Na+K"	61.952376
"257855"	724.600368	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+ACN+Na"	64.015768
"1232751"	394.308068	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+ACN+Na"	64.015768
"1718360"	394.331593	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+NH4+HCOOH"	64.039293
"1184813"	133.086651333333	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+3Na"	68.967654
"1657986"	399.286988	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Na+HCOOH"	68.994688
"163754"	737.50364	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+2K-H"	76.91904
"606593"	1067.79594	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+2K-H"	76.91904
"1094386"	407.21134	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2K-H"	76.91904
"145735"	369.255458	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"2M+2K"	77.926316
"587484"	534.401608	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"3M+2K"	77.926316
"1073087"	204.109308	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2K"	77.926316
"1103017"	409.225892	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2K+H"	78.933592
"1338306"	409.313507	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+DMSO+H"	79.021207
"1006230"	413.352676	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2ACN+H"	83.060376
"1524963"	414.346308	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+IsoProp+Na+H"	84.054008
"992504"	207.179976	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+2ACN+2H"	84.067652
"1589558"	415.260928	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+K+HCOOH"	84.968628
"1418138"	445.292438	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+H+CF3COOH"	115.000138
"1153899"	227.693251	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+3ACN+2H"	125.094202
"1706732"	462.318985	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+NH4+CF3COOH"	132.026685
"1642382"	467.27438	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+Na+CF3COOH"	136.98208
"1576939"	483.24832	"C13297"	"Geranylgeranylacetone;Teprenone"	"C23H38O"	"330.2923"	"M+K+CF3COOH"	152.95602
"813871"	670.3928	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M"	0
"981935"	651.37441	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-H2O-H"	-19.01839
"72371"	445.921257333333	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M-3H"	-3.021828
"510837"	669.385524	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M-3H"	-3.021828
"884268"	222.456990666667	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-3H"	-3.021828
"5027"	669.385524	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M-2H"	-2.014552
"451149"	1004.581924	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M-2H"	-2.014552
"823484"	334.189124	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-2H"	-2.014552
"87848"	1339.778324	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M-H"	-1.007276
"529596"	2010.171124	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M-H"	-1.007276
"907400"	669.385524	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-H"	-1.007276
"55212"	1356.804871	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M-2H+NH4"	16.019271
"492586"	2027.197671	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M-2H+NH4"	16.019271
"876952"	686.412071	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-2H+NH4"	16.019271
"39383"	1361.760266	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M-2H+Na"	20.974666
"480039"	2032.153066	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M-2H+Na"	20.974666
"857842"	691.367466	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-2H+Na"	20.974666
"1625188"	691.367466	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Na-2H"	20.974666
"107913"	687.373863	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M-H+Cl"	33.962126
"549744"	1022.570263	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M-H+Cl"	33.962126
"935890"	352.177463	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-H+Cl"	33.962126
"277726"	1375.755002	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+Cl"	34.969402
"671240"	2046.147802	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+Cl"	34.969402
"1281458"	705.362202	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Cl"	34.969402
"29483"	1377.734206	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M-2H+K"	36.948606
"463575"	2048.127006	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M-2H+K"	36.948606
"847576"	707.341406	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-2H+K"	36.948606
"1569969"	707.341406	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+K-2H"	36.948606
"950556"	715.390994	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-H+HCOOH"	44.998194
"368775"	1385.783801	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+HCOOH-H"	44.998201
"359099"	1399.799451	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+Hac-H"	59.013851
"1506475"	729.406651	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Hac-H"	59.013851
"969033"	737.372951	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-H+NaCOOH"	66.980151
"120127"	705.362202	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+2Cl"	69.938804
"557500"	1040.558602	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+2Cl"	69.938804
"1027392"	370.165802	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2Cl"	69.938804
"1245878"	749.311685	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Br"	78.918885
"1311608"	751.367672	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Cl+HCOOH"	80.974872
"1333479"	773.349629	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Cl+NaCOOH"	102.956829
"926011"	783.378386	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M-H+CF3COOH"	112.985586
"1303810"	819.355064	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Cl+CF3COOH"	148.962264
"1381604"	635.380124	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H-2H2O"	-35.012676
"1398333"	653.3901	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H-H2O"	-17.0027
"295506"	1341.792876	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+H"	1.007276
"689383"	2012.185676	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+H"	1.007276
"1365371"	671.400076	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H"	1.007276
"137892"	671.400076	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+2H"	2.014552
"578551"	1006.596476	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+2H"	2.014552
"1048805"	336.203676	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2H"	2.014552
"218165"	447.935809333333	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+3H"	3.021828
"658826"	671.400076	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+3H"	3.021828
"1177313"	224.471542666667	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+3H"	3.021828
"436575"	1358.819423	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+NH4"	18.033823
"799761"	2029.212223	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+NH4"	18.033823
"1694267"	688.426623	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+NH4"	18.033823
"344006"	679.9133495	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+H+NH4"	19.041099
"736794"	1015.1097495	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+H+NH4"	19.041099
"1485143"	344.7169495	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H+NH4"	19.041099
"400543"	1363.774818	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+Na"	22.989218
"763724"	2034.167618	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+Na"	22.989218
"1612919"	693.382018	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Na"	22.989218
"321862"	682.391047	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+H+Na"	23.996494
"714282"	1017.587447	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+H+Na"	23.996494
"1471384"	347.194647	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H+Na"	23.996494
"1063537"	231.798856666667	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2H+Na"	25.00377
"1268495"	703.426286	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+CH3OH+H"	33.033486
"388164"	1379.748758	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+K"	38.963158
"746973"	2050.141558	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+K"	38.963158
"1550122"	709.355958	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+K"	38.963158
"308392"	690.378017	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+H+K"	39.970434
"705190"	1025.574417	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+H+K"	39.970434
"1459010"	355.181617	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H+K"	39.970434
"247611"	1382.819426	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+ACN+H"	42.033826
"1221412"	712.426626	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+ACN+H"	42.033826
"1202017"	356.716951	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+ACN+2H"	43.041102
"199262"	1385.75676	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+2Na-H"	44.97116
"644147"	2056.14956	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+2Na-H"	44.97116
"1144516"	715.36396	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2Na-H"	44.97116
"176873"	693.382018	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+2Na"	45.978436
"617889"	1028.578418	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+2Na"	45.978436
"1121027"	358.185618	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2Na"	45.978436
"1403462"	239.126170666667	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H+2Na"	46.985712
"1434112"	717.405546	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H+HCOOH"	47.012746
"222351"	698.41504	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+3H2O+2H"	56.04448
"1510777"	731.45759	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+IsoProp+H"	61.06479
"410829"	701.368988	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+Na+K"	61.952376
"772191"	1036.565388	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+Na+K"	61.952376
"1668525"	366.172588	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Na+K"	61.952376
"254317"	1404.801368	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+ACN+Na"	64.015768
"1230675"	734.408568	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+ACN+Na"	64.015768
"1718466"	734.432093	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+NH4+HCOOH"	64.039293
"1187107"	246.453484666667	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+3Na"	68.967654
"1665272"	739.387488	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Na+HCOOH"	68.994688
"171516"	1417.70464	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+2K-H"	76.91904
"602330"	2088.09744	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+2K-H"	76.91904
"1089030"	747.31184	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2K-H"	76.91904
"146940"	709.355958	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"2M+2K"	77.926316
"588688"	1044.552358	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"3M+2K"	77.926316
"1070282"	374.159558	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2K"	77.926316
"1107502"	749.326392	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2K+H"	78.933592
"1341698"	749.414007	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+DMSO+H"	79.021207
"1010594"	753.453176	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2ACN+H"	83.060376
"1526166"	754.446808	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+IsoProp+Na+H"	84.054008
"993710"	377.230226	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+2ACN+2H"	84.067652
"1589307"	755.361428	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+K+HCOOH"	84.968628
"1419342"	785.392938	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+H+CF3COOH"	115.000138
"1154009"	397.743501	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+3ACN+2H"	125.094202
"1710123"	802.419485	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+NH4+CF3COOH"	132.026685
"1641399"	807.37488	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+Na+CF3COOH"	136.98208
"1577049"	823.34882	"C13299"	"Fungichromin;Pentamycin"	"C35H58O12"	"670.3928"	"M+K+CF3COOH"	152.95602
"806324"	1298.6772	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M"	0
"976575"	1279.65881	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-H2O-H"	-19.01839
"78348"	864.777524	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M-3H"	-3.021828
"510950"	1297.669924	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M-3H"	-3.021828
"885472"	431.885124	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-3H"	-3.021828
"5138"	1297.669924	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M-2H"	-2.014552
"449072"	1947.008524	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M-2H"	-2.014552
"821407"	648.331324	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-2H"	-2.014552
"82494"	2596.347124	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M-H"	-1.007276
"526429"	3895.024324	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M-H"	-1.007276
"904231"	1297.669924	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-H"	-1.007276
"50952"	2613.373671	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M-2H+NH4"	16.019271
"501693"	3912.050871	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M-2H+NH4"	16.019271
"874877"	1314.696471	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-2H+NH4"	16.019271
"38405"	2618.329066	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M-2H+Na"	20.974666
"481247"	3917.006266	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M-2H+Na"	20.974666
"851393"	1319.651866	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-2H+Na"	20.974666
"1621289"	1319.651866	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Na-2H"	20.974666
"100735"	1315.658263	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M-H+Cl"	33.962126
"545762"	1964.996863	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M-H+Cl"	33.962126
"936000"	666.319663	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-H+Cl"	33.962126
"275649"	2632.323802	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+Cl"	34.969402
"671354"	3931.001002	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+Cl"	34.969402
"1283755"	1333.646602	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Cl"	34.969402
"27041"	2634.303006	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M-2H+K"	36.948606
"465870"	3932.980206	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M-2H+K"	36.948606
"845132"	1335.625806	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-2H+K"	36.948606
"1562787"	1335.625806	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+K-2H"	36.948606
"946292"	1343.675394	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-H+HCOOH"	44.998194
"369979"	2642.352601	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+HCOOH-H"	44.998201
"352039"	2656.368251	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+Hac-H"	59.013851
"1503424"	1357.691051	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Hac-H"	59.013851
"969144"	1365.657351	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-H+NaCOOH"	66.980151
"121697"	1333.646602	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+2Cl"	69.938804
"557611"	1982.985202	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+2Cl"	69.938804
"1029691"	684.308002	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2Cl"	69.938804
"1256962"	1377.596085	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Br"	78.918885
"1319836"	1379.652072	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Cl+HCOOH"	80.974872
"1332497"	1401.634029	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Cl+NaCOOH"	102.956829
"926364"	1411.662786	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M-H+CF3COOH"	112.985586
"1303554"	1447.639464	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Cl+CF3COOH"	148.962264
"1382445"	1263.664524	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H-2H2O"	-35.012676
"1397026"	1281.6745	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H-H2O"	-17.0027
"298169"	2598.361676	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+H"	1.007276
"690590"	3897.038876	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+H"	1.007276
"1365116"	1299.684476	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H"	1.007276
"138003"	1299.684476	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+2H"	2.014552
"580120"	1949.023076	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+2H"	2.014552
"1049645"	650.345876	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2H"	2.014552
"218278"	866.792076	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+3H"	3.021828
"655651"	1299.684476	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+3H"	3.021828
"1174873"	433.899676	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+3H"	3.021828
"435957"	2615.388223	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+NH4"	18.033823
"799506"	3914.065423	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+NH4"	18.033823
"1694013"	1316.711023	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+NH4"	18.033823
"342658"	1308.1977495	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+H+NH4"	19.041099
"736902"	1957.5363495	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+H+NH4"	19.041099
"1488170"	658.8591495	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H+NH4"	19.041099
"402841"	2620.343618	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+Na"	22.989218
"763834"	3919.020818	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+Na"	22.989218
"1611936"	1321.666418	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Na"	22.989218
"320879"	1310.675447	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+H+Na"	23.996494
"715485"	1960.014047	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+H+Na"	23.996494
"1467120"	661.336847	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H+Na"	23.996494
"1064741"	441.22699	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2H+Na"	25.00377
"1265324"	1331.710686	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+CH3OH+H"	33.033486
"387179"	2636.317558	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+K"	38.963158
"747083"	3934.994758	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+K"	38.963158
"1549138"	1337.640358	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+K"	38.963158
"307407"	1318.662417	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+H+K"	39.970434
"700922"	1968.001017	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+H+K"	39.970434
"1454743"	669.323817	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H+K"	39.970434
"248813"	2639.388226	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+ACN+H"	42.033826
"1221525"	1340.711026	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+ACN+H"	42.033826
"1207595"	670.859151	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+ACN+2H"	43.041102
"203262"	2642.32556	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+2Na-H"	44.97116
"641120"	3941.00276	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+2Na-H"	44.97116
"1142440"	1343.64836	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2Na-H"	44.97116
"185730"	1321.666418	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+2Na"	45.978436
"617637"	1971.005018	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+2Na"	45.978436
"1120046"	672.327818	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2Na"	45.978436
"1401383"	448.554304	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H+2Na"	46.985712
"1432765"	1345.689946	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H+HCOOH"	47.012746
"221366"	1326.69944	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+3H2O+2H"	56.04448
"1508821"	1359.74199	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+IsoProp+H"	61.06479
"409117"	1329.653388	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+Na+K"	61.952376
"771937"	1978.991988	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+Na+K"	61.952376
"1668269"	680.314788	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Na+K"	61.952376
"253699"	2661.370168	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+ACN+Na"	64.015768
"1231878"	1362.692968	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+ACN+Na"	64.015768
"1718576"	1362.716493	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+NH4+HCOOH"	64.039293
"1186124"	455.881618	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+3Na"	68.967654
"1665466"	1367.671888	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Na+HCOOH"	68.994688
"172600"	2674.27344	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+2K-H"	76.91904
"610094"	3972.95064	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+2K-H"	76.91904
"1091328"	1375.59624	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2K-H"	76.91904
"153612"	1337.640358	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"2M+2K"	77.926316
"587705"	1986.978958	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"3M+2K"	77.926316
"1073309"	688.301758	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2K"	77.926316
"1106518"	1377.610792	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2K+H"	78.933592
"1338528"	1377.698407	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+DMSO+H"	79.021207
"1010340"	1381.737576	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2ACN+H"	83.060376
"1526642"	1382.731208	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+IsoProp+Na+H"	84.054008
"992726"	691.372426	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+2ACN+2H"	84.067652
"1589417"	1383.645828	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+K+HCOOH"	84.968628
"1419452"	1413.677338	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+H+CF3COOH"	115.000138
"1153025"	711.885701	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+3ACN+2H"	125.094202
"1710233"	1430.703885	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+NH4+CF3COOH"	132.026685
"1641509"	1435.65928	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+Na+CF3COOH"	136.98208
"1577159"	1451.63322	"C13301"	"Buserelin acetate"	"C60H86N16O13C2H4O2"	"1298.6772"	"M+K+CF3COOH"	152.95602
"809714"	436.3341	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M"	0
"979965"	417.31571	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-H2O-H"	-19.01839
"71494"	289.882124	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M-3H"	-3.021828
"512154"	435.326824	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M-3H"	-3.021828
"880434"	144.437424	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-3H"	-3.021828
"4155"	435.326824	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M-2H"	-2.014552
"440801"	653.493874	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M-2H"	-2.014552
"820791"	217.159774	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-2H"	-2.014552
"82605"	871.660924	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M-H"	-1.007276
"526539"	1307.995024	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M-H"	-1.007276
"902154"	435.326824	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-H"	-1.007276
"51062"	888.687471	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M-2H+NH4"	16.019271
"502046"	1325.021571	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M-2H+NH4"	16.019271
"874987"	452.353371	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-2H+NH4"	16.019271
"41795"	893.642866	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M-2H+Na"	20.974666
"481356"	1329.976966	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M-2H+Na"	20.974666
"854783"	457.308766	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-2H+Na"	20.974666
"1626504"	457.308766	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Na-2H"	20.974666
"98658"	453.315163	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M-H+Cl"	33.962126
"542592"	671.482213	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M-H+Cl"	33.962126
"936111"	235.148113	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-H+Cl"	33.962126
"280134"	907.637602	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+Cl"	34.969402
"670370"	1343.971702	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+Cl"	34.969402
"1280585"	471.303502	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Cl"	34.969402
"22046"	909.616806	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M-2H+K"	36.948606
"464887"	1345.950906	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M-2H+K"	36.948606
"840501"	473.282706	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-2H+K"	36.948606
"1568000"	473.282706	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+K-2H"	36.948606
"950778"	481.332294	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-H+HCOOH"	44.998194
"367902"	917.666401	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+HCOOH-H"	44.998201
"352879"	931.682051	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+Hac-H"	59.013851
"1501712"	495.347951	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Hac-H"	59.013851
"968159"	503.314251	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-H+NaCOOH"	66.980151
"123994"	471.303502	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+2Cl"	69.938804
"557721"	689.470552	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+2Cl"	69.938804
"1029801"	253.136452	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2Cl"	69.938804
"1256307"	515.252985	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Br"	78.918885
"1318395"	517.308972	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Cl+HCOOH"	80.974872
"1330420"	539.290929	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Cl+NaCOOH"	102.956829
"927003"	549.319686	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M-H+CF3COOH"	112.985586
"1303993"	585.296364	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Cl+CF3COOH"	148.962264
"1382515"	401.321424	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H-2H2O"	-35.012676
"1397865"	419.3314	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H-H2O"	-17.0027
"298417"	873.675476	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+H"	1.007276
"690336"	1310.009576	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+H"	1.007276
"1364494"	437.341376	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H"	1.007276
"138113"	437.341376	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+2H"	2.014552
"581302"	655.508426	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+2H"	2.014552
"1051579"	219.174326	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2H"	2.014552
"218388"	291.896676	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+3H"	3.021828
"656489"	437.341376	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+3H"	3.021828
"1175712"	146.451976	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+3H"	3.021828
"436067"	890.702023	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+NH4"	18.033823
"797793"	1327.036123	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+NH4"	18.033823
"1694488"	454.367923	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+NH4"	18.033823
"343132"	445.8546495	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+H+NH4"	19.041099
"736649"	664.0216995	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+H+NH4"	19.041099
"1491561"	227.6875995	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H+NH4"	19.041099
"402951"	895.657418	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+Na"	22.989218
"760664"	1331.991518	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+Na"	22.989218
"1613137"	459.323318	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Na"	22.989218
"324268"	448.332347	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+H+Na"	23.996494
"713408"	666.499397	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+H+Na"	23.996494
"1468323"	230.165297	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H+Na"	23.996494
"1063758"	153.77929	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2H+Na"	25.00377
"1264341"	469.367586	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+CH3OH+H"	33.033486
"386197"	911.631358	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+K"	38.963158
"746100"	1347.965458	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+K"	38.963158
"1545969"	475.297258	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+K"	38.963158
"307517"	456.319317	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+H+K"	39.970434
"697752"	674.486367	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+H+K"	39.970434
"1453760"	238.152267	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H+K"	39.970434
"245644"	914.702026	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+ACN+H"	42.033826
"1219449"	478.367926	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+ACN+H"	42.033826
"1206247"	239.687601	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+ACN+2H"	43.041102
"201671"	917.63936	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+2Na-H"	44.97116
"639043"	1353.97346	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+2Na-H"	44.97116
"1139268"	481.30526	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2Na-H"	44.97116
"184748"	459.323318	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+2Na"	45.978436
"622850"	677.490368	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+2Na"	45.978436
"1121254"	241.156268	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2Na"	45.978436
"1403679"	161.106604	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H+2Na"	46.985712
"1432145"	483.346846	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H+HCOOH"	47.012746
"220744"	464.35634	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+3H2O+2H"	56.04448
"1509172"	497.39889	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+IsoProp+H"	61.06479
"409098"	467.310288	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+Na+K"	61.952376
"770587"	685.477338	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+Na+K"	61.952376
"1667652"	249.143238	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Na+K"	61.952376
"252714"	936.683968	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+ACN+Na"	64.015768
"1231988"	500.349868	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+ACN+Na"	64.015768
"1717594"	500.373393	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+NH4+HCOOH"	64.039293
"1189514"	168.433918	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+3Na"	68.967654
"1665575"	505.328788	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Na+HCOOH"	68.994688
"172837"	949.58724	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+2K-H"	76.91904
"608018"	1385.92134	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+2K-H"	76.91904
"1093624"	513.25314	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2K-H"	76.91904
"148255"	475.297258	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"2M+2K"	77.926316
"593282"	693.464308	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"3M+2K"	77.926316
"1075607"	257.130208	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2K"	77.926316
"1104441"	515.267692	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2K+H"	78.933592
"1339732"	515.355307	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+DMSO+H"	79.021207
"1008627"	519.394476	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2ACN+H"	83.060376
"1526389"	520.388108	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+IsoProp+Na+H"	84.054008
"993200"	260.200876	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+2ACN+2H"	84.067652
"1590621"	521.302728	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+K+HCOOH"	84.968628
"1419562"	551.334238	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+H+CF3COOH"	115.000138
"1150949"	280.714151	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+3ACN+2H"	125.094202
"1707063"	568.360785	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+NH4+CF3COOH"	132.026685
"1644899"	573.31618	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+Na+CF3COOH"	136.98208
"1576176"	589.29012	"C13309"	"2-Phytyl-14-naphthoquinone;Demethylphylloquinone"	"C30H44O2"	"436.3341"	"M+K+CF3COOH"	152.95602
"809824"	307.049	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M"	0
"976795"	288.03061	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-H2O-H"	-19.01839
"73791"	203.692057333333	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M-3H"	-3.021828
"512263"	306.041724	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M-3H"	-3.021828
"880058"	101.342390666667	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-3H"	-3.021828
"3172"	306.041724	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M-2H"	-2.014552
"442734"	459.566224	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M-2H"	-2.014552
"821630"	152.517224	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-2H"	-2.014552
"89276"	613.090724	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M-H"	-1.007276
"525556"	920.139724	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M-H"	-1.007276
"901171"	306.041724	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-H"	-1.007276
"51172"	630.117271	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M-2H+NH4"	16.019271
"499361"	937.166271	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M-2H+NH4"	16.019271
"872910"	323.068271	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-2H+NH4"	16.019271
"36438"	635.072666	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M-2H+Na"	20.974666
"477093"	942.121666	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M-2H+Na"	20.974666
"851613"	328.023666	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-2H+Na"	20.974666
"1623334"	328.023666	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Na-2H"	20.974666
"97674"	324.030063	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M-H+Cl"	33.962126
"542702"	477.554563	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M-H+Cl"	33.962126
"934034"	170.505563	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-H+Cl"	33.962126
"278057"	649.067402	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+Cl"	34.969402
"671572"	956.116402	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+Cl"	34.969402
"1280695"	342.018402	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Cl"	34.969402
"23249"	651.046606	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M-2H+K"	36.948606
"464997"	958.095606	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M-2H+K"	36.948606
"840611"	343.997606	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-2H+K"	36.948606
"1565193"	343.997606	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+K-2H"	36.948606
"944326"	352.047194	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-H+HCOOH"	44.998194
"369105"	659.096201	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+HCOOH-H"	44.998201
"351895"	673.111851	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+Hac-H"	59.013851
"1501822"	366.062851	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Hac-H"	59.013851
"967905"	374.029151	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-H+NaCOOH"	66.980151
"124104"	342.018402	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+2Cl"	69.938804
"557831"	495.542902	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+2Cl"	69.938804
"1029911"	188.493902	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2Cl"	69.938804
"1256743"	385.967885	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Br"	78.918885
"1318141"	388.023872	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Cl+HCOOH"	80.974872
"1330530"	410.005829	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Cl+NaCOOH"	102.956829
"926459"	420.034586	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M-H+CF3COOH"	112.985586
"1302560"	456.011264	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Cl+CF3COOH"	148.962264
"1381815"	272.036324	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H-2H2O"	-35.012676
"1397493"	290.0463	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H-H2O"	-17.0027
"297295"	615.105276	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+H"	1.007276
"689717"	922.154276	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+H"	1.007276
"1365700"	308.056276	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H"	1.007276
"139682"	308.056276	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+2H"	2.014552
"579976"	461.580776	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+2H"	2.014552
"1049865"	154.531776	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2H"	2.014552
"218982"	205.706609333333	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+3H"	3.021828
"654411"	308.056276	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+3H"	3.021828
"1173631"	103.356942666667	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+3H"	3.021828
"434718"	632.131823	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+NH4"	18.033823
"794618"	939.180823	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+NH4"	18.033823
"1689856"	325.082823	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+NH4"	18.033823
"341417"	316.5695495	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+H+NH4"	19.041099
"734934"	470.0940495	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+H+NH4"	19.041099
"1488753"	163.0450495	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H+NH4"	19.041099
"398685"	637.087218	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+Na"	22.989218
"759681"	944.136218	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+Na"	22.989218
"1611060"	330.038218	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Na"	22.989218
"323285"	319.047247	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+H+Na"	23.996494
"713518"	472.571747	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+H+Na"	23.996494
"1466247"	165.522747	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H+Na"	23.996494
"1064961"	110.684256666667	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2H+Na"	25.00377
"1261171"	340.082486	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+CH3OH+H"	33.033486
"386306"	653.061158	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+K"	38.963158
"745115"	960.110158	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+K"	38.963158
"1544985"	346.012158	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+K"	38.963158
"304347"	327.034217	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+H+K"	39.970434
"697863"	480.558717	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+H+K"	39.970434
"1451683"	173.509717	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H+K"	39.970434
"241379"	656.131826	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+ACN+H"	42.033826
"1218465"	349.082826	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+ACN+H"	42.033826
"1203441"	175.045051	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+ACN+2H"	43.041102
"200323"	659.06916	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+2Na-H"	44.97116
"635872"	966.11816	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+2Na-H"	44.97116
"1139378"	352.02016	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2Na-H"	44.97116
"184492"	330.038218	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+2Na"	45.978436
"622596"	483.562718	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+2Na"	45.978436
"1120271"	176.513718	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2Na"	45.978436
"1402329"	118.011570666667	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H+2Na"	46.985712
"1433347"	354.061746	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H+HCOOH"	47.012746
"220852"	335.07124	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+3H2O+2H"	56.04448
"1509281"	368.11379	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+IsoProp+H"	61.06479
"409694"	338.025188	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+Na+K"	61.952376
"771420"	491.549688	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+Na+K"	61.952376
"1665765"	184.500688	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Na+K"	61.952376
"252823"	678.113768	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+ACN+Na"	64.015768
"1231005"	371.064768	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+ACN+Na"	64.015768
"1715517"	371.088293	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+NH4+HCOOH"	64.039293
"1187436"	125.338884666667	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+3Na"	68.967654
"1665358"	376.043688	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Na+HCOOH"	68.994688
"172741"	691.01704	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+2K-H"	76.91904
"609221"	998.06604	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+2K-H"	76.91904
"1089724"	383.96804	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2K-H"	76.91904
"148364"	346.012158	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"2M+2K"	77.926316
"592298"	499.536658	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"3M+2K"	77.926316
"1076811"	192.487658	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2K"	77.926316
"1105646"	385.982592	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2K+H"	78.933592
"1337290"	386.070207	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+DMSO+H"	79.021207
"1008737"	390.109376	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2ACN+H"	83.060376
"1525770"	391.103008	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+IsoProp+Na+H"	84.054008
"993311"	195.558326	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+2ACN+2H"	84.067652
"1590731"	392.017628	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+K+HCOOH"	84.968628
"1420765"	422.049138	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+H+CF3COOH"	115.000138
"1152152"	216.071601	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+3ACN+2H"	125.094202
"1707173"	439.075685	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+NH4+CF3COOH"	132.026685
"1645009"	444.03108	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+Na+CF3COOH"	136.98208
"1576286"	460.00502	"C13310"	"Faropenem sodium;SUN 5555;Fropenum sodium"	"C12H14NO5SNa"	"307.049"	"M+K+CF3COOH"	152.95602
"809934"	196.1212	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M"	0
"976904"	177.10281	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-H2O-H"	-19.01839
"73901"	129.740190666667	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M-3H"	-3.021828
"514195"	195.113924	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M-3H"	-3.021828
"882885"	64.3664573333333	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-3H"	-3.021828
"3283"	195.113924	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M-2H"	-2.014552
"446126"	293.174524	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M-2H"	-2.014552
"822105"	97.053324	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-2H"	-2.014552
"89386"	391.235124	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M-H"	-1.007276
"524573"	587.356324	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M-H"	-1.007276
"903468"	195.113924	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-H"	-1.007276
"51282"	408.261671	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M-2H+NH4"	16.019271
"499228"	604.382871	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M-2H+NH4"	16.019271
"873020"	212.140471	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-2H+NH4"	16.019271
"38735"	413.217066	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M-2H+Na"	20.974666
"477202"	609.338266	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M-2H+Na"	20.974666
"855003"	217.095866	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-2H+Na"	20.974666
"1618821"	217.095866	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Na-2H"	20.974666
"98877"	213.102263	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M-H+Cl"	33.962126
"542812"	311.162863	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M-H+Cl"	33.962126
"937424"	115.041663	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-H+Cl"	33.962126
"279260"	427.211802	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+Cl"	34.969402
"671683"	623.333002	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+Cl"	34.969402
"1282993"	231.090602	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Cl"	34.969402
"22267"	429.191006	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M-2H+K"	36.948606
"466930"	625.312206	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M-2H+K"	36.948606
"842909"	233.069806	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-2H+K"	36.948606
"1558744"	233.069806	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+K-2H"	36.948606
"947718"	241.119394	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-H+HCOOH"	44.998194
"368123"	437.240601	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+HCOOH-H"	44.998201
"356380"	451.256251	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+Hac-H"	59.013851
"1506307"	255.135051	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Hac-H"	59.013851
"969473"	263.101351	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-H+NaCOOH"	66.980151
"124578"	231.090602	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+2Cl"	69.938804
"557941"	329.151202	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+2Cl"	69.938804
"1030021"	133.030002	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2Cl"	69.938804
"1254705"	275.040085	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Br"	78.918885
"1317888"	277.096072	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Cl+HCOOH"	80.974872
"1331733"	299.078029	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Cl+NaCOOH"	102.956829
"925963"	309.106786	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M-H+CF3COOH"	112.985586
"1303157"	345.083464	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Cl+CF3COOH"	148.962264
"1381805"	161.108524	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H-2H2O"	-35.012676
"1397966"	179.1185	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H-H2O"	-17.0027
"297164"	393.249676	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+H"	1.007276
"689708"	589.370876	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+H"	1.007276
"1366179"	197.128476	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H"	1.007276
"139431"	197.128476	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+2H"	2.014552
"578994"	295.189076	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+2H"	2.014552
"1051073"	99.067876	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2H"	2.014552
"218849"	131.754742666667	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+3H"	3.021828
"654520"	197.128476	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+3H"	3.021828
"1173739"	66.3810093333333	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+3H"	3.021828
"432639"	410.276223	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+NH4"	18.033823
"796916"	606.397423	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+NH4"	18.033823
"1693247"	214.155023	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+NH4"	18.033823
"341527"	205.6417495	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+H+NH4"	19.041099
"734681"	303.7023495	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+H+NH4"	19.041099
"1489956"	107.5811495	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H+NH4"	19.041099
"396608"	415.231618	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+Na"	22.989218
"755293"	611.352818	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+Na"	22.989218
"1605702"	219.110418	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Na"	22.989218
"323395"	208.119447	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+H+Na"	23.996494
"713628"	306.180047	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+H+Na"	23.996494
"1467450"	110.058847	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H+Na"	23.996494
"1065071"	73.7083233333333	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2H+Na"	25.00377
"1268936"	229.154686	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+CH3OH+H"	33.033486
"385324"	431.205558	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+K"	38.963158
"747414"	627.326758	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+K"	38.963158
"1553118"	235.084358	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+K"	38.963158
"304093"	216.106417	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+H+K"	39.970434
"696149"	314.167017	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+H+K"	39.970434
"1452888"	118.045817	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H+K"	39.970434
"245864"	434.276226	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+ACN+H"	42.033826
"1221854"	238.155026	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+ACN+H"	42.033826
"1205739"	119.581151	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+ACN+2H"	43.041102
"199340"	437.21356	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+2Na-H"	44.97116
"635983"	633.33476	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+2Na-H"	44.97116
"1139488"	241.09236	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2Na-H"	44.97116
"183510"	219.110418	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+2Na"	45.978436
"623800"	317.171018	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+2Na"	45.978436
"1124391"	121.049818	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2Na"	45.978436
"1408274"	81.0356373333333	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H+2Na"	46.985712
"1433458"	243.133946	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H+HCOOH"	47.012746
"222061"	224.14344	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+3H2O+2H"	56.04448
"1511580"	257.18599	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+IsoProp+H"	61.06479
"410537"	227.097388	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+Na+K"	61.952376
"771896"	325.157988	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+Na+K"	61.952376
"1667503"	129.036788	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Na+K"	61.952376
"256216"	456.258168	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+ACN+Na"	64.015768
"1230022"	260.136968	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+ACN+Na"	64.015768
"1721096"	260.160493	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+NH4+HCOOH"	64.039293
"1184630"	88.3629513333333	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+3Na"	68.967654
"1664617"	265.115888	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Na+HCOOH"	68.994688
"172326"	469.16144	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+2K-H"	76.91904
"603863"	665.28264	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+2K-H"	76.91904
"1094938"	273.04024	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2K-H"	76.91904
"148474"	235.084358	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"2M+2K"	77.926316
"594474"	333.144958	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"3M+2K"	77.926316
"1079108"	137.023758	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2K"	77.926316
"1107943"	275.054792	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2K+H"	78.933592
"1338130"	275.142407	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+DMSO+H"	79.021207
"1009577"	279.181576	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2ACN+H"	83.060376
"1528068"	280.175208	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+IsoProp+Na+H"	84.054008
"993056"	140.094426	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+2ACN+2H"	84.067652
"1593026"	281.089828	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+K+HCOOH"	84.968628
"1419782"	311.121338	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+H+CF3COOH"	115.000138
"1151169"	160.607701	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+3ACN+2H"	125.094202
"1707283"	328.147885	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+NH4+CF3COOH"	132.026685
"1645119"	333.10328	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+Na+CF3COOH"	136.98208
"1576396"	349.07722	"C13311"	"Fasoracetam;NS 105"	"C10H16N2O2"	"196.1212"	"M+K+CF3COOH"	152.95602
"810044"	668.3138	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M"	0
"976285"	649.29541	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-H2O-H"	-19.01839
"74011"	444.535257333333	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M-3H"	-3.021828
"511391"	667.306524	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M-3H"	-3.021828
"882631"	221.763990666667	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-3H"	-3.021828
"1082"	667.306524	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M-2H"	-2.014552
"444049"	1001.463424	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M-2H"	-2.014552
"821851"	333.149624	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-2H"	-2.014552
"84030"	1335.620324	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M-H"	-1.007276
"527963"	2003.934124	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M-H"	-1.007276
"904671"	667.306524	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-H"	-1.007276
"48595"	1352.646871	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M-2H+NH4"	16.019271
"497514"	2020.960671	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M-2H+NH4"	16.019271
"870942"	684.333071	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-2H+NH4"	16.019271
"38845"	1357.602266	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M-2H+Na"	20.974666
"477312"	2025.916066	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M-2H+Na"	20.974666
"849768"	689.288466	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-2H+Na"	20.974666
"1621365"	689.288466	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Na-2H"	20.974666
"97894"	685.294863	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M-H+Cl"	33.962126
"546202"	1019.451763	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M-H+Cl"	33.962126
"933160"	351.137963	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-H+Cl"	33.962126
"276090"	1371.597002	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+Cl"	34.969402
"662314"	2039.910802	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+Cl"	34.969402
"1279821"	703.283202	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Cl"	34.969402
"22377"	1373.576206	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M-2H+K"	36.948606
"465217"	2041.890006	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M-2H+K"	36.948606
"843020"	705.262406	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-2H+K"	36.948606
"1564322"	705.262406	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+K-2H"	36.948606
"945642"	713.311994	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-H+HCOOH"	44.998194
"369325"	1381.625801	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+HCOOH-H"	44.998201
"356490"	1395.641451	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+Hac-H"	59.013851
"1507389"	727.327651	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Hac-H"	59.013851
"969583"	735.293951	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-H+NaCOOH"	66.980151
"120677"	703.283202	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+2Cl"	69.938804
"560237"	1037.440102	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+2Cl"	69.938804
"1026849"	369.126302	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2Cl"	69.938804
"1255545"	747.232685	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Br"	78.918885
"1317998"	749.288672	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Cl+HCOOH"	80.974872
"1331843"	771.270629	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Cl+NaCOOH"	102.956829
"926191"	781.299386	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M-H+CF3COOH"	112.985586
"1302899"	817.276064	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Cl+CF3COOH"	148.962264
"1381670"	633.301124	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H-2H2O"	-35.012676
"1397100"	651.3111	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H-H2O"	-17.0027
"296057"	1337.634876	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+H"	1.007276
"689210"	2005.948676	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+H"	1.007276
"1364467"	669.321076	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H"	1.007276
"140270"	669.321076	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+2H"	2.014552
"580561"	1003.477976	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+2H"	2.014552
"1051183"	335.164176	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2H"	2.014552
"217622"	446.549809333333	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+3H"	3.021828
"653537"	669.321076	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+3H"	3.021828
"1173849"	223.778542666667	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+3H"	3.021828
"429469"	1354.661423	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+NH4"	18.033823
"794839"	2022.975223	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+NH4"	18.033823
"1691171"	686.347623	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+NH4"	18.033823
"340543"	677.8343495	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+H+NH4"	19.041099
"736248"	1011.9912495	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+H+NH4"	19.041099
"1489702"	343.6774495	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H+NH4"	19.041099
"395625"	1359.616818	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+Na"	22.989218
"757712"	2027.930618	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+Na"	22.989218
"1605812"	691.303018	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Na"	22.989218
"320223"	680.312047	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+H+Na"	23.996494
"713738"	1014.468947	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+H+Na"	23.996494
"1470839"	346.155147	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H+Na"	23.996494
"1061901"	231.105856666667	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2H+Na"	25.00377
"1267953"	701.347286	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+CH3OH+H"	33.033486
"384340"	1375.590758	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+K"	38.963158
"746430"	2043.904558	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+K"	38.963158
"1550675"	707.276958	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+K"	38.963158
"305660"	688.299017	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+H+K"	39.970434
"696258"	1022.455917	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+H+K"	39.970434
"1450079"	354.142117	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H+K"	39.970434
"244880"	1378.661426	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+ACN+H"	42.033826
"1221963"	710.347626	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+ACN+H"	42.033826
"1205851"	355.677451	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+ACN+2H"	43.041102
"199813"	1381.59876	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+2Na-H"	44.97116
"636093"	2049.91256	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+2Na-H"	44.97116
"1139598"	713.28496	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2Na-H"	44.97116
"182889"	691.303018	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+2Na"	45.978436
"625368"	1025.459918	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+2Na"	45.978436
"1127780"	357.146118	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2Na"	45.978436
"1404010"	238.433170666667	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H+2Na"	46.985712
"1433939"	715.326546	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H+HCOOH"	47.012746
"230194"	696.33604	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+3H2O+2H"	56.04448
"1511330"	729.37859	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+IsoProp+H"	61.06479
"410649"	699.289988	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+Na+K"	61.952376
"772006"	1033.446888	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+Na+K"	61.952376
"1666886"	365.133088	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Na+K"	61.952376
"256690"	1400.643368	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+ACN+Na"	64.015768
"1232317"	732.329568	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+ACN+Na"	64.015768
"1722299"	732.353093	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+NH4+HCOOH"	64.039293
"1184374"	245.760484666667	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+3Na"	68.967654
"1663747"	737.308488	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Na+HCOOH"	68.994688
"172068"	1413.54664	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+2K-H"	76.91904
"609441"	2081.86044	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+2K-H"	76.91904
"1093954"	745.23284	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2K-H"	76.91904
"149677"	707.276958	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"2M+2K"	77.926316
"593612"	1041.433858	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"3M+2K"	77.926316
"1077031"	373.120058	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2K"	77.926316
"1104772"	747.247392	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2K+H"	78.933592
"1341155"	747.335007	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+DMSO+H"	79.021207
"1008591"	751.374176	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2ACN+H"	83.060376
"1529998"	752.367808	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+IsoProp+Na+H"	84.054008
"995352"	376.190726	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+2ACN+2H"	84.067652
"1592042"	753.282428	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+K+HCOOH"	84.968628
"1422078"	783.313938	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+H+CF3COOH"	115.000138
"1151279"	396.704001	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+3ACN+2H"	125.094202
"1707393"	800.340485	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+NH4+CF3COOH"	132.026685
"1645229"	805.29588	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+Na+CF3COOH"	136.98208
"1576506"	821.26982	"C13326"	"Kad 1229;Mitiglinide calcium"	"(C19H24NO3)2Ca"	"668.3138"	"M+K+CF3COOH"	152.95602
"810154"	420.1611	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M"	0
"975302"	401.14271	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-H2O-H"	-19.01839
"74121"	279.100124	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M-3H"	-3.021828
"513687"	419.153824	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M-3H"	-3.021828
"882741"	139.046424	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-3H"	-3.021828
"20"	419.153824	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M-2H"	-2.014552
"441607"	629.234374	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M-2H"	-2.014552
"820868"	209.073274	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-2H"	-2.014552
"80131"	839.314924	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M-H"	-1.007276
"524793"	1259.476024	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M-H"	-1.007276
"901501"	419.153824	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-H"	-1.007276
"48220"	856.341471	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M-2H+NH4"	16.019271
"497624"	1276.502571	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M-2H+NH4"	16.019271
"867772"	436.180371	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-2H+NH4"	16.019271
"40048"	861.296866	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M-2H+Na"	20.974666
"476329"	1281.457966	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M-2H+Na"	20.974666
"851943"	441.135766	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-2H+Na"	20.974666
"1631316"	441.135766	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Na-2H"	20.974666
"106752"	437.142163	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M-H+Cl"	33.962126
"545220"	647.222713	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M-H+Cl"	33.962126
"929989"	227.061613	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-H+Cl"	33.962126
"271826"	875.291602	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+Cl"	34.969402
"660596"	1295.452702	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+Cl"	34.969402
"1274463"	455.130502	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Cl"	34.969402
"16079"	877.270806	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M-2H+K"	36.948606
"456452"	1297.431906	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M-2H+K"	36.948606
"834744"	457.109706	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-2H+K"	36.948606
"1561149"	457.109706	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+K-2H"	36.948606
"944656"	465.159294	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-H+HCOOH"	44.998194
"362873"	885.320401	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+HCOOH-H"	44.998201
"351132"	899.336051	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+Hac-H"	59.013851
"1501058"	479.174951	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Hac-H"	59.013851
"968599"	487.141251	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-H+NaCOOH"	66.980151
"118600"	455.130502	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+2Cl"	69.938804
"558160"	665.211052	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+2Cl"	69.938804
"1024772"	245.049952	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2Cl"	69.938804
"1256141"	499.079985	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Br"	78.918885
"1318108"	501.135972	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Cl+HCOOH"	80.974872
"1331953"	523.117929	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Cl+NaCOOH"	102.956829
"924113"	533.146686	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M-H+CF3COOH"	112.985586
"1302890"	569.123364	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Cl+CF3COOH"	148.962264
"1381659"	385.148424	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H-2H2O"	-35.012676
"1397090"	403.1584	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H-H2O"	-17.0027
"296167"	841.329476	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+H"	1.007276
"689320"	1261.490576	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+H"	1.007276
"1366278"	421.168376	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H"	1.007276
"139285"	421.168376	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+2H"	2.014552
"580183"	631.248926	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+2H"	2.014552
"1052262"	211.087826	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2H"	2.014552
"214083"	281.114676	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+3H"	3.021828
"653647"	421.168376	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+3H"	3.021828
"1173959"	141.060976	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+3H"	3.021828
"429579"	858.356023	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+NH4"	18.033823
"794949"	1278.517123	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+NH4"	18.033823
"1692374"	438.194923	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+NH4"	18.033823
"339560"	429.6816495	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+H+NH4"	19.041099
"734899"	639.7621995	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+H+NH4"	19.041099
"1490907"	219.6010995	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H+NH4"	19.041099
"399015"	863.311418	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+Na"	22.989218
"755635"	1283.472518	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+Na"	22.989218
"1609202"	443.150318	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Na"	22.989218
"320333"	432.159347	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+H+Na"	23.996494
"713848"	642.239897	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+H+Na"	23.996494
"1474231"	222.078797	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H+Na"	23.996494
"1062010"	148.38829	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2H+Na"	25.00377
"1269158"	453.194586	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+CH3OH+H"	33.033486
"386638"	879.285358	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+K"	38.963158
"747634"	1299.446458	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+K"	38.963158
"1548599"	459.124258	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+K"	38.963158
"303583"	440.146317	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+H+K"	39.970434
"694545"	650.226867	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+H+K"	39.970434
"1448733"	230.065767	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H+K"	39.970434
"239522"	882.356026	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+ACN+H"	42.033826
"1219886"	462.194926	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+ACN+H"	42.033826
"1200490"	231.601101	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+ACN+2H"	43.041102
"199922"	885.29336	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+2Na-H"	44.97116
"636205"	1305.45446	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+2Na-H"	44.97116
"1137523"	465.13226	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2Na-H"	44.97116
"180813"	443.150318	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+2Na"	45.978436
"624747"	653.230868	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+2Na"	45.978436
"1126067"	233.069768	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2Na"	45.978436
"1406309"	155.715604	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H+2Na"	46.985712
"1431253"	467.173846	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H+HCOOH"	47.012746
"220825"	448.18334	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+3H2O+2H"	56.04448
"1509977"	481.22589	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+IsoProp+H"	61.06479
"411124"	451.137288	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+Na+K"	61.952376
"770171"	661.217838	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+Na+K"	61.952376
"1666267"	241.056738	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Na+K"	61.952376
"254978"	904.337968	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+ACN+Na"	64.015768
"1233521"	484.176868	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+ACN+Na"	64.015768
"1724595"	484.200393	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+NH4+HCOOH"	64.039293
"1181932"	163.042918	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+3Na"	68.967654
"1663129"	489.155788	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Na+HCOOH"	68.994688
"172177"	917.24124	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+2K-H"	76.91904
"608093"	1337.40234	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+2K-H"	76.91904
"1094064"	497.08014	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2K-H"	76.91904
"148692"	459.124258	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"2M+2K"	77.926316
"591535"	669.204808	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"3M+2K"	77.926316
"1077141"	249.043708	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2K"	77.926316
"1103059"	499.094692	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2K+H"	78.933592
"1342357"	499.182307	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+DMSO+H"	79.021207
"1009066"	503.221476	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2ACN+H"	83.060376
"1530107"	504.215108	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+IsoProp+Na+H"	84.054008
"997650"	252.114376	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+2ACN+2H"	84.067652
"1589965"	505.129728	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+K+HCOOH"	84.968628
"1420001"	535.161238	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+H+CF3COOH"	115.000138
"1149566"	272.627651	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+3ACN+2H"	125.094202
"1707503"	552.187785	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+NH4+CF3COOH"	132.026685
"1645339"	557.14318	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+Na+CF3COOH"	136.98208
"1576616"	573.11712	"C13334"	"Pitavastatin;(3R5SE)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-35-dihydroxyhept-6-enoate"	"C25H23FNO4"	"420.1611"	"M+K+CF3COOH"	152.95602
"810264"	150.0681	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M"	0
"977235"	131.04971	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"73138"	99.038124	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"513797"	149.060824	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"882122"	49.015424	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"122"	149.060824	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"440259"	224.094874	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"817286"	74.026774	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"83155"	299.128924	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"523810"	449.197024	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"901611"	149.060824	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"47602"	316.155471	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"497734"	466.223571	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"865696"	166.087371	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"36878"	321.110866	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"473280"	471.178966	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"852053"	171.042766	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1630333"	171.042766	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"105768"	167.049163	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"543144"	242.083213	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"931193"	92.015113	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"270843"	335.105602	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"660588"	485.173702	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1274573"	185.037502	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"17613"	337.084806	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"458871"	487.152906	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"837770"	187.016706	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1560165"	187.016706	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"944765"	195.066294	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"364440"	345.134401	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"351242"	359.150051	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1502261"	209.081951	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"968709"	217.048251	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"121990"	185.037502	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"557177"	260.071552	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1027069"	110.003452	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1253210"	228.986985	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1306910"	231.042972	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1327686"	253.024929	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"926047"	263.053686	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1302634"	299.030364	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1381283"	115.055424	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1395864"	133.0654	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"293361"	301.143476	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"686513"	451.211576	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1364320"	151.075376	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"135021"	151.075376	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"579686"	226.109426	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1049943"	76.041326	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"215653"	101.052676	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"652664"	151.075376	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1175528"	51.029976	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"436980"	318.170023	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"796883"	468.238123	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1690663"	168.101923	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"339306"	159.5886495	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"732822"	234.6226995	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1489923"	84.5545995	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"399125"	323.125418	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"759025"	473.193518	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1606029"	173.057318	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"320443"	162.066347	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"713958"	237.100397	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1472156"	87.032297	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1059932"	58.35729	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1262707"	183.101586	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"382374"	339.099358	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"741914"	489.167458	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1546521"	189.031258	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"298956"	170.053317	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"694295"	245.087367	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1453218"	95.019267	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"245100"	342.170026	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1219996"	192.101926	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1204975"	96.554601	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"199669"	345.10736	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"638503"	495.17546	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1138727"	195.03926	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"184203"	173.057318	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"624130"	248.091368	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1123994"	98.023268	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1407515"	65.684604	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1435254"	197.080846	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"221302"	178.09034	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1510816"	211.13289	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"410503"	181.044288	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"771501"	256.078338	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1668204"	106.010238	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"256547"	364.151968	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1236548"	214.083868	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1723611"	214.107393	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1186781"	73.011918	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1663238"	219.062788	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"169006"	377.05524	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"609661"	527.12334	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1095265"	226.98714	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"147709"	189.031258	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"590549"	264.065308	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1069959"	113.997208	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1100736"	229.001692	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1339185"	229.089307	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1007715"	233.128476	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1528029"	234.122108	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"996665"	117.067876	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1587520"	235.036728	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1414643"	265.068238	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1150038"	137.581151	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1699956"	282.094785	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1645449"	287.05018	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1576726"	303.02412	"C13342"	"p-Hydroxypropiophenone;Paroxypropione"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"813654"	219.0895	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M"	0
"987917"	200.07111	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-H2O-H"	-19.01839
"73248"	145.052390666667	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M-3H"	-3.021828
"517187"	218.082224	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M-3H"	-3.021828
"882962"	72.0225573333333	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-3H"	-3.021828
"191"	218.082224	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M-2H"	-2.014552
"441099"	327.626974	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M-2H"	-2.014552
"817269"	108.537474	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-2H"	-2.014552
"78673"	437.171724	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M-H"	-1.007276
"523918"	656.261224	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M-H"	-1.007276
"898439"	218.082224	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-H"	-1.007276
"50627"	454.198271	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M-2H+NH4"	16.019271
"490186"	673.287771	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M-2H+NH4"	16.019271
"866894"	235.108771	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-2H+NH4"	16.019271
"31759"	459.153666	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M-2H+Na"	20.974666
"474358"	678.243166	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M-2H+Na"	20.974666
"859815"	240.064166	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-2H+Na"	20.974666
"1631534"	240.064166	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Na-2H"	20.974666
"108307"	236.070563	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M-H+Cl"	33.962126
"545439"	345.615313	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M-H+Cl"	33.962126
"931301"	126.525813	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-H+Cl"	33.962126
"270953"	473.148402	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+Cl"	34.969402
"662280"	692.237902	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+Cl"	34.969402
"1276870"	254.058902	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Cl"	34.969402
"19424"	475.127606	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M-2H+K"	36.948606
"455763"	694.217106	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M-2H+K"	36.948606
"837879"	256.038106	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-2H+K"	36.948606
"1562462"	256.038106	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+K-2H"	36.948606
"944876"	264.087694	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-H+HCOOH"	44.998194
"365279"	483.177201	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+HCOOH-H"	44.998201
"350621"	497.192851	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+Hac-H"	59.013851
"1505287"	278.103351	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Hac-H"	59.013851
"972099"	286.069651	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-H+NaCOOH"	66.980151
"123194"	254.058902	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+2Cl"	69.938804
"560567"	363.603652	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+2Cl"	69.938804
"1026086"	144.514152	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2Cl"	69.938804
"1252227"	298.008385	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Br"	78.918885
"1307019"	300.064372	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Cl+HCOOH"	80.974872
"1323423"	322.046329	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Cl+NaCOOH"	102.956829
"926986"	332.075086	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M-H+CF3COOH"	112.985586
"1302500"	368.051764	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Cl+CF3COOH"	148.962264
"1382121"	184.076824	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H-2H2O"	-35.012676
"1397067"	202.0868	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H-H2O"	-17.0027
"294930"	439.186276	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+H"	1.007276
"686623"	658.275776	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+H"	1.007276
"1366011"	220.096776	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H"	1.007276
"139872"	220.096776	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+2H"	2.014552
"580284"	329.641526	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+2H"	2.014552
"1050781"	110.552026	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2H"	2.014552
"215763"	147.066942666667	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+3H"	3.021828
"651680"	220.096776	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+3H"	3.021828
"1176002"	74.0371093333333	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+3H"	3.021828
"435266"	456.212823	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+NH4"	18.033823
"797358"	675.302323	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+NH4"	18.033823
"1694054"	237.123323	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+NH4"	18.033823
"341968"	228.6100495	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+H+NH4"	19.041099
"731839"	338.1547995	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+H+NH4"	19.041099
"1490762"	119.0652995	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H+NH4"	19.041099
"395588"	461.168218	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+Na"	22.989218
"761323"	680.257718	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+Na"	22.989218
"1608327"	242.078718	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Na"	22.989218
"323833"	231.087747	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+H+Na"	23.996494
"719903"	340.632497	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+H+Na"	23.996494
"1473724"	121.542997	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H+Na"	23.996494
"1061141"	81.3644233333333	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2H+Na"	25.00377
"1263913"	252.122986	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+CH3OH+H"	33.033486
"381759"	477.142158	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+K"	38.963158
"742389"	696.231658	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+K"	38.963158
"1552099"	258.052658	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+K"	38.963158
"310369"	239.074717	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+H+K"	39.970434
"701696"	348.619467	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+H+K"	39.970434
"1455515"	129.529967	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H+K"	39.970434
"248491"	480.212826	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+ACN+H"	42.033826
"1217920"	261.123326	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+ACN+H"	42.033826
"1205086"	131.065301	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+ACN+2H"	43.041102
"199050"	483.15016	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+2Na-H"	44.97116
"638611"	702.23966	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+2Na-H"	44.97116
"1141024"	264.06066	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2Na-H"	44.97116
"182128"	242.078718	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+2Na"	45.978436
"623875"	351.623468	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+2Na"	45.978436
"1123009"	132.533968	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2Na"	45.978436
"1401062"	88.6917373333333	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H+2Na"	46.985712
"1437551"	266.102246	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H+HCOOH"	47.012746
"221172"	247.11174	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+3H2O+2H"	56.04448
"1510565"	280.15429	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+IsoProp+H"	61.06479
"410620"	250.065688	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+Na+K"	61.952376
"771619"	359.610438	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+Na+K"	61.952376
"1672325"	140.520938	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Na+K"	61.952376
"261762"	502.194768	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+ACN+Na"	64.015768
"1237024"	283.105268	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+ACN+Na"	64.015768
"1721536"	283.128793	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+NH4+HCOOH"	64.039293
"1190172"	96.0190513333333	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+3Na"	68.967654
"1663838"	288.084188	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Na+HCOOH"	68.994688
"168022"	515.09804	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+2K-H"	76.91904
"608678"	734.18754	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+2K-H"	76.91904
"1096468"	296.00854	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2K-H"	76.91904
"150006"	258.052658	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"2M+2K"	77.926316
"591752"	367.597408	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"3M+2K"	77.926316
"1071893"	148.507908	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2K"	77.926316
"1100726"	298.023092	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2K+H"	78.933592
"1337478"	298.110707	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+DMSO+H"	79.021207
"1008192"	302.149876	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2ACN+H"	83.060376
"1525224"	303.143508	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+IsoProp+Na+H"	84.054008
"992767"	151.578576	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+2ACN+2H"	84.067652
"1587512"	304.058128	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+K+HCOOH"	84.968628
"1416941"	334.089638	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+H+CF3COOH"	115.000138
"1150513"	172.091851	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+3ACN+2H"	125.094202
"1701159"	351.116185	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+NH4+CF3COOH"	132.026685
"1642278"	356.07158	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+Na+CF3COOH"	136.98208
"1572824"	372.04552	"C13355"	"Aniracetam"	"C12H13NO3"	"219.0895"	"M+K+CF3COOH"	152.95602
"816960"	488.2774	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M"	0
"982925"	469.25901	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-H2O-H"	-19.01839
"72264"	324.510990666667	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M-3H"	-3.021828
"514014"	487.270124	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M-3H"	-3.021828
"886351"	161.751857333333	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-3H"	-3.021828
"3834"	487.270124	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M-2H"	-2.014552
"440591"	731.408824	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M-2H"	-2.014552
"817665"	243.131424	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-2H"	-2.014552
"78916"	975.547524	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M-H"	-1.007276
"520748"	1463.824924	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M-H"	-1.007276
"896968"	487.270124	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-H"	-1.007276
"50737"	992.574071	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M-2H+NH4"	16.019271
"487621"	1480.851471	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M-2H+NH4"	16.019271
"868098"	504.296671	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-2H+NH4"	16.019271
"32232"	997.529466	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M-2H+Na"	20.974666
"477748"	1485.806866	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M-2H+Na"	20.974666
"861018"	509.252066	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-2H+Na"	20.974666
"1632738"	509.252066	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Na-2H"	20.974666
"108903"	505.258463	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M-H+Cl"	33.962126
"546642"	749.397163	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M-H+Cl"	33.962126
"931411"	261.119763	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-H+Cl"	33.962126
"271063"	1011.524202	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+Cl"	34.969402
"662390"	1499.801602	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+Cl"	34.969402
"1276980"	523.246802	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Cl"	34.969402
"19534"	1013.503406	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M-2H+K"	36.948606
"456296"	1501.780806	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M-2H+K"	36.948606
"837989"	525.226006	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-2H+K"	36.948606
"1563665"	525.226006	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+K-2H"	36.948606
"947172"	533.275594	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-H+HCOOH"	44.998194
"366482"	1021.553001	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+HCOOH-H"	44.998201
"353647"	1035.568651	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+Hac-H"	59.013851
"1505761"	547.291251	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Hac-H"	59.013851
"972209"	555.257551	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-H+NaCOOH"	66.980151
"124397"	523.246802	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+2Cl"	69.938804
"563957"	767.385502	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+2Cl"	69.938804
"1029476"	279.108102	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2Cl"	69.938804
"1253430"	567.196285	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Br"	78.918885
"1312596"	569.252272	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Cl+HCOOH"	80.974872
"1328999"	591.234229	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Cl+NaCOOH"	102.956829
"926632"	601.262986	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M-H+CF3COOH"	112.985586
"1302242"	637.239664	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Cl+CF3COOH"	148.962264
"1382545"	453.264724	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H-2H2O"	-35.012676
"1397908"	471.2747	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H-H2O"	-17.0027
"297471"	977.562076	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+H"	1.007276
"689647"	1465.839476	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+H"	1.007276
"1366364"	489.284676	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H"	1.007276
"139617"	489.284676	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+2H"	2.014552
"580634"	733.423376	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+2H"	2.014552
"1051255"	245.145976	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2H"	2.014552
"216602"	326.525542666667	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+3H"	3.021828
"657988"	489.284676	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+3H"	3.021828
"1173196"	163.766409333333	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+3H"	3.021828
"437928"	994.588623	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+NH4"	18.033823
"800018"	1482.866023	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+NH4"	18.033823
"1694892"	506.311223	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+NH4"	18.033823
"340983"	497.7979495	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+H+NH4"	19.041099
"733042"	741.9366495	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+H+NH4"	19.041099
"1491968"	253.6592495	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H+NH4"	19.041099
"395698"	999.544018	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+Na"	22.989218
"758153"	1487.821418	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+Na"	22.989218
"1608439"	511.266618	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Na"	22.989218
"323944"	500.275647	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+H+Na"	23.996494
"720866"	744.414347	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+H+Na"	23.996494
"1476144"	256.136947	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H+Na"	23.996494
"1065259"	171.093723333333	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2H+Na"	25.00377
"1270217"	521.310886	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+CH3OH+H"	33.033486
"389156"	1015.517958	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+K"	38.963158
"747967"	1503.795358	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+K"	38.963158
"1552209"	527.240558	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+K"	38.963158
"311573"	508.262617	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+H+K"	39.970434
"700711"	752.401317	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+H+K"	39.970434
"1455623"	264.123917	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H+K"	39.970434
"248601"	1018.588626	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+ACN+H"	42.033826
"1221309"	530.311226	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+ACN+H"	42.033826
"1206289"	265.659251	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+ACN+2H"	43.041102
"199161"	1021.52596	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+2Na-H"	44.97116
"640543"	1509.80336	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+2Na-H"	44.97116
"1138947"	533.24856	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2Na-H"	44.97116
"182237"	511.266618	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+2Na"	45.978436
"623985"	755.405318	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+2Na"	45.978436
"1124212"	267.127918	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2Na"	45.978436
"1405546"	178.421037333333	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H+2Na"	46.985712
"1433286"	535.290146	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H+HCOOH"	47.012746
"220797"	516.29964	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+3H2O+2H"	56.04448
"1511045"	549.34219	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+IsoProp+H"	61.06479
"410729"	519.253588	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+Na+K"	61.952376
"770632"	763.392288	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+Na+K"	61.952376
"1673529"	275.114888	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Na+K"	61.952376
"257862"	1040.570568	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+ACN+Na"	64.015768
"1230572"	552.293168	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+ACN+Na"	64.015768
"1723833"	552.316693	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+NH4+HCOOH"	64.039293
"1188096"	185.748351333333	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+3Na"	68.967654
"1661274"	557.272088	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Na+HCOOH"	68.994688
"165948"	1053.47384	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+2K-H"	76.91904
"605504"	1541.75124	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+2K-H"	76.91904
"1093296"	565.19644	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2K-H"	76.91904
"150115"	527.240558	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"2M+2K"	77.926316
"590769"	771.379258	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"3M+2K"	77.926316
"1070545"	283.101858	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2K"	77.926316
"1101928"	567.210992	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2K+H"	78.933592
"1339043"	567.298607	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+DMSO+H"	79.021207
"1008665"	571.337776	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2ACN+H"	83.060376
"1528250"	572.331408	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+IsoProp+Na+H"	84.054008
"992876"	286.172526	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+2ACN+2H"	84.067652
"1588111"	573.246028	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+K+HCOOH"	84.968628
"1417052"	603.277538	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+H+CF3COOH"	115.000138
"1150626"	306.685801	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+3ACN+2H"	125.094202
"1707832"	620.304085	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+NH4+CF3COOH"	132.026685
"1642389"	625.25948	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+Na+CF3COOH"	136.98208
"1576946"	641.23342	"C13358"	"Hydrocortisone butyrate propionate;Hydrocortisone buteprate;Hydrocortisone probutate"	"C28H40O7"	"488.2774"	"M+K+CF3COOH"	152.95602
"813874"	330.2559	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M"	0
"980848"	311.23751	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-H2O-H"	-19.01839
"77969"	219.163324	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M-3H"	-3.021828
"516310"	329.248624	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M-3H"	-3.021828
"890834"	109.078024	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-3H"	-3.021828
"9414"	329.248624	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H"	-2.014552
"446785"	494.376574	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H"	-2.014552
"823493"	164.120674	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-2H"	-2.014552
"80568"	659.504524	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M-H"	-1.007276
"527418"	989.760424	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M-H"	-1.007276
"901939"	329.248624	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-H"	-1.007276
"57407"	676.531071	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H+NH4"	16.019271
"494782"	1006.786971	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H+NH4"	16.019271
"869302"	346.275171	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-2H+NH4"	16.019271
"40484"	681.486466	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H+Na"	20.974666
"480045"	1011.742366	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H+Na"	20.974666
"861129"	351.230566	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-2H+Na"	20.974666
"1631755"	351.230566	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Na-2H"	20.974666
"107191"	347.236963	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M-H+Cl"	33.962126
"548938"	512.364913	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M-H+Cl"	33.962126
"936988"	182.109013	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-H+Cl"	33.962126
"276641"	695.481202	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+Cl"	34.969402
"667968"	1025.737102	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+Cl"	34.969402
"1280372"	365.225302	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl"	34.969402
"20738"	697.460406	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H+K"	36.948606
"459204"	1027.716306	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H+K"	36.948606
"840286"	367.204506	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-2H+K"	36.948606
"1563777"	367.204506	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+K-2H"	36.948606
"947284"	375.254094	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-H+HCOOH"	44.998194
"368782"	705.510001	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+HCOOH-H"	44.998201
"355945"	719.525651	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+Hac-H"	59.013851
"1506601"	389.269751	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Hac-H"	59.013851
"969038"	397.236051	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-H+NaCOOH"	66.980151
"125240"	365.225302	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+2Cl"	69.938804
"563709"	530.353252	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+2Cl"	69.938804
"1035786"	200.097352	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2Cl"	69.938804
"1255365"	409.174785	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Br"	78.918885
"1318906"	411.230772	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl+HCOOH"	80.974872
"1331298"	433.212729	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl+NaCOOH"	102.956829
"926500"	443.241486	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M-H+CF3COOH"	112.985586
"1301259"	479.218164	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl+CF3COOH"	148.962264
"1382736"	295.243224	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H-2H2O"	-35.012676
"1398457"	313.2532	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H-H2O"	-17.0027
"298544"	661.519076	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+H"	1.007276
"691222"	991.774976	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+H"	1.007276
"1366883"	331.263176	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H"	1.007276
"140822"	331.263176	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+2H"	2.014552
"580016"	496.391126	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+2H"	2.014552
"1052544"	166.135226	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2H"	2.014552
"218537"	221.177876	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+3H"	3.021828
"655181"	331.263176	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+3H"	3.021828
"1175858"	111.092576	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+3H"	3.021828
"438768"	678.545623	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+NH4"	18.033823
"798307"	1008.801523	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+NH4"	18.033823
"1693909"	348.289723	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+NH4"	18.033823
"341093"	339.7764495	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+H+NH4"	19.041099
"734975"	504.9043995	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+H+NH4"	19.041099
"1491712"	174.6484995	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H+NH4"	19.041099
"404559"	683.501018	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+Na"	22.989218
"762638"	1013.756918	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+Na"	22.989218
"1618233"	353.245118	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Na"	22.989218
"328308"	342.254147	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+H+Na"	23.996494
"722662"	507.382097	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+H+Na"	23.996494
"1476377"	177.126197	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H+Na"	23.996494
"1068123"	118.41989	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2H+Na"	25.00377
"1270691"	363.289386	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+CH3OH+H"	33.033486
"390359"	699.474958	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+K"	38.963158
"749170"	1029.730858	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+K"	38.963158
"1554506"	369.219058	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+K"	38.963158
"312779"	350.241117	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+H+K"	39.970434
"705198"	515.369067	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+H+K"	39.970434
"1455737"	185.113167	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H+K"	39.970434
"248711"	702.545626	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+ACN+H"	42.033826
"1223607"	372.289726	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+ACN+H"	42.033826
"1208585"	186.648501	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+ACN+2H"	43.041102
"200365"	705.48296	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+2Na-H"	44.97116
"640654"	1035.73886	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+2Na-H"	44.97116
"1139058"	375.22706	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2Na-H"	44.97116
"183441"	353.245118	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+2Na"	45.978436
"624095"	518.373068	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+2Na"	45.978436
"1127238"	188.117168	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2Na"	45.978436
"1411125"	125.747204	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H+2Na"	46.985712
"1437770"	377.268646	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H+HCOOH"	47.012746
"226374"	358.27814	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+3H2O+2H"	56.04448
"1513343"	391.32069	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+IsoProp+H"	61.06479
"413029"	361.232088	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+Na+K"	61.952376
"773295"	526.360038	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+Na+K"	61.952376
"1678014"	196.104138	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Na+K"	61.952376
"264170"	724.527568	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+ACN+Na"	64.015768
"1237245"	394.271668	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+ACN+Na"	64.015768
"1723945"	394.295193	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+NH4+HCOOH"	64.039293
"1187113"	133.074518	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+3Na"	68.967654
"1655915"	399.250588	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Na+HCOOH"	68.994688
"166057"	737.43084	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+2K-H"	76.91904
"606707"	1067.68674	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+2K-H"	76.91904
"1095592"	407.17494	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2K-H"	76.91904
"149131"	369.219058	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"2M+2K"	77.926316
"590879"	534.347008	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"3M+2K"	77.926316
"1075393"	204.091108	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2K"	77.926316
"1105320"	409.189492	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2K+H"	78.933592
"1338059"	409.277107	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+DMSO+H"	79.021207
"1009139"	413.316276	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2ACN+H"	83.060376
"1526173"	414.309908	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+IsoProp+Na+H"	84.054008
"993714"	207.161776	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+2ACN+2H"	84.067652
"1590404"	415.224528	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+K+HCOOH"	84.968628
"1416068"	445.256038	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+H+CF3COOH"	115.000138
"1147456"	227.675051	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+3ACN+2H"	125.094202
"1701381"	462.282585	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+NH4+CF3COOH"	132.026685
"1639219"	467.23798	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+Na+CF3COOH"	136.98208
"1571586"	483.21192	"C13364"	"Ethyl icosapentate;Eicosapentaenoic acid ethyl ester"	"C22H34O2"	"330.2559"	"M+K+CF3COOH"	152.95602
"807533"	634.1029	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M"	0
"974293"	615.08451	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-H2O-H"	-19.01839
"67121"	421.727990666667	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M-3H"	-3.021828
"504497"	633.095624	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M-3H"	-3.021828
"884488"	210.360357333333	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-3H"	-3.021828
"31"	633.095624	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M-2H"	-2.014552
"453562"	950.147074	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M-2H"	-2.014552
"826994"	316.044174	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-2H"	-2.014552
"89173"	1267.198524	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M-H"	-1.007276
"526549"	1901.301424	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M-H"	-1.007276
"908359"	633.095624	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-H"	-1.007276
"57632"	1284.225071	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M-2H+NH4"	16.019271
"499377"	1918.327971	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M-2H+NH4"	16.019271
"877908"	650.122171	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-2H+NH4"	16.019271
"45810"	1289.180466	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M-2H+Na"	20.974666
"485373"	1923.283366	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M-2H+Na"	20.974666
"863173"	655.077566	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-2H+Na"	20.974666
"1632707"	655.077566	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Na-2H"	20.974666
"109556"	651.083963	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M-H+Cl"	33.962126
"545876"	968.135413	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M-H+Cl"	33.962126
"936117"	334.032513	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-H+Cl"	33.962126
"276860"	1303.175202	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+Cl"	34.969402
"664908"	1937.278102	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+Cl"	34.969402
"1275124"	669.072302	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Cl"	34.969402
"19865"	1305.154406	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M-2H+K"	36.948606
"462705"	1939.257306	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M-2H+K"	36.948606
"839414"	671.051506	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-2H+K"	36.948606
"1563996"	671.051506	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+K-2H"	36.948606
"950786"	679.101094	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-H+HCOOH"	44.998194
"374471"	1313.204001	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+HCOOH-H"	44.998201
"358354"	1327.219651	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+Hac-H"	59.013851
"1507187"	693.116751	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Hac-H"	59.013851
"971447"	701.083051	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-H+NaCOOH"	66.980151
"122542"	669.072302	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+2Cl"	69.938804
"565142"	986.123752	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+2Cl"	69.938804
"1034181"	352.020852	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2Cl"	69.938804
"1252666"	713.021785	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Br"	78.918885
"1315114"	715.077772	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Cl+HCOOH"	80.974872
"1331517"	737.059729	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Cl+NaCOOH"	102.956829
"926559"	747.088486	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M-H+CF3COOH"	112.985586
"1303305"	783.065164	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Cl+CF3COOH"	148.962264
"1382401"	599.090224	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H-2H2O"	-35.012676
"1398396"	617.1002	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H-H2O"	-17.0027
"298394"	1269.213076	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+H"	1.007276
"691359"	1903.315976	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+H"	1.007276
"1363774"	635.110176	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H"	1.007276
"137758"	635.110176	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+2H"	2.014552
"577318"	952.161626	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+2H"	2.014552
"1047210"	318.058726	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2H"	2.014552
"218028"	423.742542666667	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+3H"	3.021828
"657224"	635.110176	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+3H"	3.021828
"1177538"	212.374909333333	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+3H"	3.021828
"435710"	1286.239623	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+NH4"	18.033823
"797797"	1920.342523	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+NH4"	18.033823
"1690847"	652.136723	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+NH4"	18.033823
"341314"	643.6234495	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+H+NH4"	19.041099
"734830"	960.6748995	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+H+NH4"	19.041099
"1490472"	326.5719995	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H+NH4"	19.041099
"406603"	1291.195018	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+Na"	22.989218
"769506"	1925.297918	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+Na"	22.989218
"1618260"	657.092118	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Na"	22.989218
"329910"	646.101147	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+H+Na"	23.996494
"722655"	963.152597	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+H+Na"	23.996494
"1474527"	329.049697	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H+Na"	23.996494
"1068181"	219.702223333333	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2H+Na"	25.00377
"1270910"	667.136386	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+CH3OH+H"	33.033486
"387297"	1307.168958	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+K"	38.963158
"748293"	1941.271858	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+K"	38.963158
"1554726"	673.066058	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+K"	38.963158
"312995"	654.088117	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+H+K"	39.970434
"706511"	971.139567	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+H+K"	39.970434
"1459237"	337.036667	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H+K"	39.970434
"250635"	1310.239626	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+ACN+H"	42.033826
"1223103"	676.136726	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+ACN+H"	42.033826
"1203343"	338.572001	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+ACN+2H"	43.041102
"194026"	1313.17696	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+2Na-H"	44.97116
"634680"	1947.27986	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+2Na-H"	44.97116
"1141465"	679.07406	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2Na-H"	44.97116
"182568"	657.092118	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+2Na"	45.978436
"625046"	974.143568	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+2Na"	45.978436
"1129645"	340.040668	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2Na"	45.978436
"1412440"	227.029537333333	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H+2Na"	46.985712
"1436898"	681.115646	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H+HCOOH"	47.012746
"224406"	662.12514	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+3H2O+2H"	56.04448
"1516847"	695.16769	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+IsoProp+H"	61.06479
"424210"	665.079088	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+Na+K"	61.952376
"784820"	982.130538	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+Na+K"	61.952376
"1677141"	348.027638	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Na+K"	61.952376
"261474"	1332.221568	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+ACN+Na"	64.015768
"1240017"	698.118668	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+ACN+Na"	64.015768
"1723072"	698.142193	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+NH4+HCOOH"	64.039293
"1186240"	234.356851333333	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+3Na"	68.967654
"1665560"	703.097588	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Na+HCOOH"	68.994688
"171745"	1345.12484	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+2K-H"	76.91904
"609118"	1979.22774	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+2K-H"	76.91904
"1094722"	711.02194	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2K-H"	76.91904
"151540"	673.066058	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"2M+2K"	77.926316
"591103"	990.117508	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"3M+2K"	77.926316
"1074521"	356.014608	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2K"	77.926316
"1107728"	713.036492	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2K+H"	78.933592
"1339738"	713.124107	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+DMSO+H"	79.021207
"1014833"	717.163276	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2ACN+H"	83.060376
"1527854"	718.156908	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+IsoProp+Na+H"	84.054008
"991749"	359.085276	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+2ACN+2H"	84.067652
"1589167"	719.071528	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+K+HCOOH"	84.968628
"1416287"	749.103038	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+H+CF3COOH"	115.000138
"1153142"	379.598551	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+3ACN+2H"	125.094202
"1710349"	766.129585	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+NH4+CF3COOH"	132.026685
"1642719"	771.08498	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+Na+CF3COOH"	136.98208
"1571806"	787.05892	"C13376"	"Cefpiramide sodium"	"C25H23N8O7S2Na"	"634.1029"	"M+K+CF3COOH"	152.95602
"807643"	271.9083	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M"	0
"974977"	252.88991	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-H2O-H"	-19.01839
"67228"	180.264924	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M-3H"	-3.021828
"503265"	270.901024	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M-3H"	-3.021828
"884598"	89.628824	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-3H"	-3.021828
"113"	270.901024	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M-2H"	-2.014552
"453672"	406.855174	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M-2H"	-2.014552
"828197"	134.946874	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-2H"	-2.014552
"89287"	542.809324	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M-H"	-1.007276
"528846"	814.717624	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M-H"	-1.007276
"906284"	270.901024	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-H"	-1.007276
"56649"	559.835871	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M-2H+NH4"	16.019271
"498394"	831.744171	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M-2H+NH4"	16.019271
"877291"	287.927571	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-2H+NH4"	16.019271
"44828"	564.791266	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M-2H+Na"	20.974666
"484754"	836.699566	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M-2H+Na"	20.974666
"862920"	292.882966	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-2H+Na"	20.974666
"1633060"	292.882966	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Na-2H"	20.974666
"108249"	288.889363	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M-H+Cl"	33.962126
"547079"	424.843513	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M-H+Cl"	33.962126
"936226"	152.935213	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-H+Cl"	33.962126
"274783"	578.786002	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+Cl"	34.969402
"665018"	850.694302	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+Cl"	34.969402
"1277419"	306.877702	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Cl"	34.969402
"17788"	580.765206	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M-2H+K"	36.948606
"460628"	852.673506	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M-2H+K"	36.948606
"839524"	308.856906	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-2H+K"	36.948606
"1565928"	308.856906	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+K-2H"	36.948606
"951988"	316.906494	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-H+HCOOH"	44.998194
"372028"	588.814801	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+HCOOH-H"	44.998201
"358464"	602.830451	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+Hac-H"	59.013851
"1506203"	330.922151	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Hac-H"	59.013851
"972652"	338.888451	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-H+NaCOOH"	66.980151
"123384"	306.877702	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+2Cl"	69.938804
"564648"	442.831852	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+2Cl"	69.938804
"1035750"	170.923552	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2Cl"	69.938804
"1254598"	350.827185	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Br"	78.918885
"1315224"	352.883172	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Cl+HCOOH"	80.974872
"1330899"	374.865129	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Cl+NaCOOH"	102.956829
"925611"	384.893886	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M-H+CF3COOH"	112.985586
"1303172"	420.870564	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Cl+CF3COOH"	148.962264
"1382308"	236.895624	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H-2H2O"	-35.012676
"1398446"	254.9056	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H-H2O"	-17.0027
"297180"	544.823876	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+H"	1.007276
"691185"	816.732176	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+H"	1.007276
"1363884"	272.915576	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H"	1.007276
"137138"	272.915576	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+2H"	2.014552
"577063"	408.869726	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+2H"	2.014552
"1045497"	136.961426	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2H"	2.014552
"218502"	182.279476	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+3H"	3.021828
"656970"	272.915576	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+3H"	3.021828
"1175096"	91.643376	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+3H"	3.021828
"435453"	561.850423	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+NH4"	18.033823
"789159"	833.758723	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+NH4"	18.033823
"1684395"	289.942123	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+NH4"	18.033823
"334863"	281.4288495	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+H+NH4"	19.041099
"731659"	417.3829995	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+H+NH4"	19.041099
"1485478"	145.4746995	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H+NH4"	19.041099
"404889"	566.805818	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+Na"	22.989218
"769293"	838.714118	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+Na"	22.989218
"1618002"	294.897518	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Na"	22.989218
"329495"	283.906547	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+H+Na"	23.996494
"720940"	419.860697	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+H+Na"	23.996494
"1474637"	147.952397	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H+Na"	23.996494
"1068128"	98.97069	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2H+Na"	25.00377
"1271750"	304.941786	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+CH3OH+H"	33.033486
"389594"	582.779758	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+K"	38.963158
"748403"	854.688058	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+K"	38.963158
"1552649"	310.871458	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+K"	38.963158
"312984"	291.893517	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+H+K"	39.970434
"706500"	427.847667	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+H+K"	39.970434
"1458254"	155.939367	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H+K"	39.970434
"249043"	585.850426	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+ACN+H"	42.033826
"1218473"	313.942126	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+ACN+H"	42.033826
"1204544"	157.474701	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+ACN+2H"	43.041102
"191219"	588.78776	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+2Na-H"	44.97116
"631874"	860.69606	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+2Na-H"	44.97116
"1137202"	316.87946	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2Na-H"	44.97116
"177575"	294.897518	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+2Na"	45.978436
"621146"	430.851668	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+2Na"	45.978436
"1123558"	158.943368	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2Na"	45.978436
"1407081"	106.298004	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H+2Na"	46.985712
"1430811"	318.921046	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H+HCOOH"	47.012746
"221963"	299.93054	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+3H2O+2H"	56.04448
"1513677"	332.97309	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+IsoProp+H"	61.06479
"422476"	302.884488	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+Na+K"	61.952376
"782012"	438.838638	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+Na+K"	61.952376
"1677251"	166.930338	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Na+K"	61.952376
"261584"	607.832368	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+ACN+Na"	64.015768
"1239032"	335.924068	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+ACN+Na"	64.015768
"1726828"	335.947593	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+NH4+HCOOH"	64.039293
"1186350"	113.625318	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+3Na"	68.967654
"1662806"	340.902988	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Na+HCOOH"	68.994688
"170760"	620.73564	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+2K-H"	76.91904
"608134"	892.64394	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+2K-H"	76.91904
"1091552"	348.82734	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2K-H"	76.91904
"147275"	310.871458	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"2M+2K"	77.926316
"593397"	446.825608	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"3M+2K"	77.926316
"1080096"	174.917308	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2K"	77.926316
"1105651"	350.841892	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2K+H"	78.933592
"1339848"	350.929507	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+DMSO+H"	79.021207
"1013849"	354.968676	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2ACN+H"	83.060376
"1527600"	355.962308	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+IsoProp+Na+H"	84.054008
"992224"	177.987976	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+2ACN+2H"	84.067652
"1588549"	356.876928	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+K+HCOOH"	84.968628
"1416397"	386.908438	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+H+CF3COOH"	115.000138
"1152159"	198.501251	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+3ACN+2H"	125.094202
"1711552"	403.934985	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+NH4+CF3COOH"	132.026685
"1642829"	408.89038	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+Na+CF3COOH"	136.98208
"1572037"	424.86432	"C13377"	"Mercuric chloride;Mercury(II) chloride"	"HgCl2"	"271.9083"	"M+K+CF3COOH"	152.95602
"807753"	485.0661	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M"	0
"975207"	466.04771	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-H2O-H"	-19.01839
"67338"	322.370124	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M-3H"	-3.021828
"503291"	484.058824	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M-3H"	-3.021828
"883615"	160.681424	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-3H"	-3.021828
"482"	484.058824	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M-2H"	-2.014552
"447226"	726.591874	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M-2H"	-2.014552
"826853"	241.525774	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-2H"	-2.014552
"87207"	969.124924	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M-H"	-1.007276
"528592"	1454.191024	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M-H"	-1.007276
"906394"	484.058824	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-H"	-1.007276
"59314"	986.151471	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M-2H+NH4"	16.019271
"498875"	1471.217571	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M-2H+NH4"	16.019271
"876676"	501.085371	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-2H+NH4"	16.019271
"43845"	991.106866	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M-2H+Na"	20.974666
"483773"	1476.172966	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M-2H+Na"	20.974666
"862305"	506.040766	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-2H+Na"	20.974666
"1632199"	506.040766	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Na-2H"	20.974666
"105812"	502.047163	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M-H+Cl"	33.962126
"542817"	744.580213	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M-H+Cl"	33.962126
"934151"	259.514113	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-H+Cl"	33.962126
"277078"	1005.101602	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+Cl"	34.969402
"667315"	1490.167702	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+Cl"	34.969402
"1281903"	520.035502	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Cl"	34.969402
"21179"	1007.080806	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M-2H+K"	36.948606
"459645"	1492.146906	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M-2H+K"	36.948606
"841821"	522.014706	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-2H+K"	36.948606
"1562028"	522.014706	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+K-2H"	36.948606
"953193"	530.064294	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-H+HCOOH"	44.998194
"372502"	1015.130401	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+HCOOH-H"	44.998201
"357116"	1029.146051	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+Hac-H"	59.013851
"1503033"	544.079951	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Hac-H"	59.013851
"970945"	552.046251	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-H+NaCOOH"	66.980151
"121308"	520.035502	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+2Cl"	69.938804
"562327"	762.568552	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+2Cl"	69.938804
"1034771"	277.502452	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2Cl"	69.938804
"1253616"	563.984985	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Br"	78.918885
"1318986"	566.040972	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Cl+HCOOH"	80.974872
"1329550"	588.022929	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Cl+NaCOOH"	102.956829
"926578"	598.051686	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M-H+CF3COOH"	112.985586
"1303980"	634.028364	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Cl+CF3COOH"	148.962264
"1382505"	450.053424	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H-2H2O"	-35.012676
"1398174"	468.0634	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H-H2O"	-17.0027
"298146"	971.139476	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+H"	1.007276
"691014"	1456.205576	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+H"	1.007276
"1365453"	486.073376	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H"	1.007276
"140291"	486.073376	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+2H"	2.014552
"580338"	728.606426	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+2H"	2.014552
"1051804"	243.540326	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2H"	2.014552
"218248"	324.384676	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+3H"	3.021828
"658905"	486.073376	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+3H"	3.021828
"1177028"	162.695976	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+3H"	3.021828
"436656"	988.166023	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+NH4"	18.033823
"795830"	1473.232123	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+NH4"	18.033823
"1691067"	503.099923	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+NH4"	18.033823
"338253"	494.5866495	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+H+NH4"	19.041099
"733956"	737.1196995	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+H+NH4"	19.041099
"1485588"	252.0535995	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H+NH4"	19.041099
"403176"	993.121418	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+Na"	22.989218
"769732"	1478.187518	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+Na"	22.989218
"1618194"	508.055318	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Na"	22.989218
"329486"	497.064347	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+H+Na"	23.996494
"722389"	739.597397	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+H+Na"	23.996494
"1476212"	254.531297	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H+Na"	23.996494
"1067632"	170.02329	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2H+Na"	25.00377
"1271496"	518.099586	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+CH3OH+H"	33.033486
"387518"	1009.095358	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+K"	38.963158
"747420"	1494.161458	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+K"	38.963158
"1553978"	524.029258	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+K"	38.963158
"313215"	505.051317	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+H+K"	39.970434
"705640"	747.584367	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+H+K"	39.970434
"1459094"	262.518267	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H+K"	39.970434
"246969"	1012.166026	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+ACN+H"	42.033826
"1218585"	527.099926	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+ACN+H"	42.033826
"1196636"	264.053601	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+ACN+2H"	43.041102
"196432"	1015.10336	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+2Na-H"	44.97116
"632348"	1500.16946	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+2Na-H"	44.97116
"1142781"	530.03726	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2Na-H"	44.97116
"181695"	508.055318	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+2Na"	45.978436
"623079"	750.588368	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+2Na"	45.978436
"1122573"	265.522268	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2Na"	45.978436
"1408284"	177.350604	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H+2Na"	46.985712
"1430798"	532.078846	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H+HCOOH"	47.012746
"222071"	513.08834	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+3H2O+2H"	56.04448
"1513787"	546.13089	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+IsoProp+H"	61.06479
"419671"	516.042288	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+Na+K"	61.952376
"781030"	758.575338	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+Na+K"	61.952376
"1677362"	273.509238	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Na+K"	61.952376
"261330"	1034.147968	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+ACN+Na"	64.015768
"1235862"	549.081868	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+ACN+Na"	64.015768
"1725844"	549.105393	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+NH4+HCOOH"	64.039293
"1187553"	184.677918	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+3Na"	68.967654
"1662917"	554.060788	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Na+HCOOH"	68.994688
"171359"	1047.05124	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+2K-H"	76.91904
"609338"	1532.11734	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+2K-H"	76.91904
"1092755"	561.98514	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2K-H"	76.91904
"149571"	524.029258	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"2M+2K"	77.926316
"591322"	766.562308	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"3M+2K"	77.926316
"1080207"	281.496208	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2K"	77.926316
"1105762"	563.999692	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2K+H"	78.933592
"1343242"	564.087307	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+DMSO+H"	79.021207
"1011771"	568.126476	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2ACN+H"	83.060376
"1527712"	569.120108	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+IsoProp+Na+H"	84.054008
"991119"	284.566876	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+2ACN+2H"	84.067652
"1589387"	570.034728	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+K+HCOOH"	84.968628
"1415414"	600.066238	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+H+CF3COOH"	115.000138
"1153362"	305.080151	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+3ACN+2H"	125.094202
"1711662"	617.092785	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+NH4+CF3COOH"	132.026685
"1642939"	622.04818	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+Na+CF3COOH"	136.98208
"1572027"	638.02212	"C13378"	"alphabeta-Dihydroxyethyl-TPP;alphabeta-Dihydroxyethyl-ThDP;2-(12-Dihydroxyethyl)-TPP"	"C14H23N4O9P2S"	"485.0661"	"M+K+CF3COOH"	152.95602
"807863"	393.7212	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M"	0
"979207"	374.70281	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-H2O-H"	-19.01839
"69635"	261.473524	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M-3H"	-3.021828
"514665"	392.713924	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M-3H"	-3.021828
"882264"	130.233124	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-3H"	-3.021828
"715"	392.713924	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M-2H"	-2.014552
"453894"	589.574524	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M-2H"	-2.014552
"825140"	195.853324	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-2H"	-2.014552
"87317"	786.435124	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M-H"	-1.007276
"529065"	1180.156324	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M-H"	-1.007276
"908327"	392.713924	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-H"	-1.007276
"56871"	803.461671	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M-2H+NH4"	16.019271
"497524"	1197.182871	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M-2H+NH4"	16.019271
"874960"	409.740471	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-2H+NH4"	16.019271
"44685"	808.417066	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M-2H+Na"	20.974666
"484245"	1202.138266	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M-2H+Na"	20.974666
"860955"	414.695866	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-2H+Na"	20.974666
"1631944"	414.695866	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Na-2H"	20.974666
"105556"	410.702263	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M-H+Cl"	33.962126
"544020"	607.562863	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M-H+Cl"	33.962126
"935354"	213.841663	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-H+Cl"	33.962126
"277919"	822.411802	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+Cl"	34.969402
"668517"	1216.133002	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+Cl"	34.969402
"1275453"	428.690602	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Cl"	34.969402
"26757"	824.391006	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M-2H+K"	36.948606
"461943"	1218.112206	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M-2H+K"	36.948606
"840838"	430.669806	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-2H+K"	36.948606
"1566512"	430.669806	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+K-2H"	36.948606
"953303"	438.719394	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-H+HCOOH"	44.998194
"370424"	832.440601	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+HCOOH-H"	44.998201
"357955"	846.456251	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+Hac-H"	59.013851
"1502049"	452.735051	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Hac-H"	59.013851
"970322"	460.701351	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-H+NaCOOH"	66.980151
"121782"	428.690602	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+2Cl"	69.938804
"562801"	625.551202	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+2Cl"	69.938804
"1035982"	231.830002	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2Cl"	69.938804
"1253730"	472.640085	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Br"	78.918885
"1314351"	474.696072	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Cl+HCOOH"	80.974872
"1329660"	496.678029	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Cl+NaCOOH"	102.956829
"925837"	506.706786	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M-H+CF3COOH"	112.985586
"1303151"	542.683464	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Cl+CF3COOH"	148.962264
"1382635"	358.708524	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H-2H2O"	-35.012676
"1398154"	376.7185	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H-H2O"	-17.0027
"298386"	788.449676	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+H"	1.007276
"691367"	1182.170876	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+H"	1.007276
"1366784"	394.728476	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H"	1.007276
"141050"	394.728476	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+2H"	2.014552
"581222"	591.589076	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+2H"	2.014552
"1052643"	197.867876	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2H"	2.014552
"217994"	263.488076	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+3H"	3.021828
"659794"	394.728476	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+3H"	3.021828
"1178350"	132.247676	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+3H"	3.021828
"438225"	805.476223	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+NH4"	18.033823
"800679"	1199.197423	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+NH4"	18.033823
"1693366"	411.755023	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+NH4"	18.033823
"344927"	403.2417495	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+H+NH4"	19.041099
"738287"	600.1023495	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+H+NH4"	19.041099
"1492261"	206.3811495	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H+NH4"	19.041099
"403286"	810.431618	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+Na"	22.989218
"769644"	1204.152818	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+Na"	22.989218
"1618377"	416.710418	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Na"	22.989218
"329680"	405.719447	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+H+Na"	23.996494
"722097"	602.580047	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+H+Na"	23.996494
"1476976"	208.858847	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H+Na"	23.996494
"1068026"	139.57499	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2H+Na"	25.00377
"1272294"	426.754686	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+CH3OH+H"	33.033486
"389815"	826.405558	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+K"	38.963158
"750810"	1220.126758	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+K"	38.963158
"1553604"	432.684358	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+K"	38.963158
"312232"	413.706417	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+H+K"	39.970434
"706764"	610.567017	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+H+K"	39.970434
"1460662"	216.845817	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H+K"	39.970434
"249632"	829.476226	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+ACN+H"	42.033826
"1221975"	435.755026	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+ACN+H"	42.033826
"1203674"	218.381151	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+ACN+2H"	43.041102
"197637"	832.41356	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+2Na-H"	44.97116
"640114"	1226.13476	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+2Na-H"	44.97116
"1143620"	438.69236	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2Na-H"	44.97116
"184357"	416.710418	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+2Na"	45.978436
"623551"	613.571018	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+2Na"	45.978436
"1124870"	219.849818	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2Na"	45.978436
"1408395"	146.902304	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H+2Na"	46.985712
"1432854"	440.733946	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H+HCOOH"	47.012746
"221211"	421.74344	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+3H2O+2H"	56.04448
"1517177"	454.78599	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+IsoProp+H"	61.06479
"419052"	424.697388	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+Na+K"	61.952376
"781141"	621.557988	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+Na+K"	61.952376
"1671640"	227.836788	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Na+K"	61.952376
"259983"	851.458168	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+ACN+Na"	64.015768
"1238161"	457.736968	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+ACN+Na"	64.015768
"1725226"	457.760493	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+NH4+HCOOH"	64.039293
"1187299"	154.229618	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+3Na"	68.967654
"1663027"	462.715888	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Na+HCOOH"	68.994688
"172200"	864.36144	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+2K-H"	76.91904
"610541"	1258.08264	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+2K-H"	76.91904
"1098822"	470.64024	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2K-H"	76.91904
"150776"	432.684358	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"2M+2K"	77.926316
"593618"	629.544958	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"3M+2K"	77.926316
"1080317"	235.823758	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2K"	77.926316
"1109154"	472.654792	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2K+H"	78.933592
"1341161"	472.742407	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+DMSO+H"	79.021207
"1009695"	476.781576	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2ACN+H"	83.060376
"1527821"	477.775208	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+IsoProp+Na+H"	84.054008
"991712"	238.894426	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+2ACN+2H"	84.067652
"1593140"	478.689828	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+K+HCOOH"	84.968628
"1418799"	508.721338	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+H+CF3COOH"	115.000138
"1148004"	259.407701	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+3ACN+2H"	125.094202
"1711772"	525.747885	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+NH4+CF3COOH"	132.026685
"1643049"	530.70328	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+Na+CF3COOH"	136.98208
"1572137"	546.67722	"C13383"	"Iodoform"	"CHI3"	"393.7212"	"M+K+CF3COOH"	152.95602
"807973"	77.9898	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M"	0
"979318"	58.97141	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-H2O-H"	-19.01839
"68653"	50.985924	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M-3H"	-3.021828
"512588"	76.982524	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M-3H"	-3.021828
"881646"	24.989324	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-3H"	-3.021828
"3499"	76.982524	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M-2H"	-2.014552
"454004"	115.977424	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M-2H"	-2.014552
"828530"	37.987624	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-2H"	-2.014552
"87427"	154.972324	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M-H"	-1.007276
"528082"	232.962124	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M-H"	-1.007276
"908072"	76.982524	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-H"	-1.007276
"56981"	171.998871	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M-2H+NH4"	16.019271
"497635"	249.988671	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M-2H+NH4"	16.019271
"875435"	94.009071	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-2H+NH4"	16.019271
"44794"	176.954266	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M-2H+Na"	20.974666
"485083"	254.944066	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M-2H+Na"	20.974666
"863817"	98.964466	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-2H+Na"	20.974666
"1631322"	98.964466	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Na-2H"	20.974666
"105665"	94.970863	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M-H+Cl"	33.962126
"543037"	133.965763	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M-H+Cl"	33.962126
"936557"	55.975963	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-H+Cl"	33.962126
"278392"	190.949002	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+Cl"	34.969402
"670814"	268.938802	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+Cl"	34.969402
"1275563"	112.959202	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Cl"	34.969402
"27596"	192.928206	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M-2H+K"	36.948606
"460959"	270.918006	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M-2H+K"	36.948606
"840948"	114.938406	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-2H+K"	36.948606
"1568809"	114.938406	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+K-2H"	36.948606
"954507"	122.987994	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-H+HCOOH"	44.998194
"370535"	200.977801	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+HCOOH-H"	44.998201
"358793"	214.993451	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+Hac-H"	59.013851
"1502159"	137.003651	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Hac-H"	59.013851
"965693"	144.969951	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-H+NaCOOH"	66.980151
"121892"	112.959202	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+2Cl"	69.938804
"563637"	151.954102	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+2Cl"	69.938804
"1036331"	73.964302	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2Cl"	69.938804
"1253109"	156.908685	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Br"	78.918885
"1312274"	158.964672	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Cl+HCOOH"	80.974872
"1329770"	180.946629	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Cl+NaCOOH"	102.956829
"921930"	190.975386	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M-H+CF3COOH"	112.985586
"1296454"	226.952064	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Cl+CF3COOH"	148.962264
"1382273"	42.977124	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H-2H2O"	-35.012676
"1391383"	60.9871	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H-H2O"	-17.0027
"298239"	156.986876	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+H"	1.007276
"687865"	234.976676	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+H"	1.007276
"1365185"	78.997076	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H"	1.007276
"141292"	78.997076	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+2H"	2.014552
"580554"	117.991976	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+2H"	2.014552
"1051296"	40.002176	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2H"	2.014552
"218832"	53.000476	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+3H"	3.021828
"659491"	78.997076	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+3H"	3.021828
"1177739"	27.003876	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+3H"	3.021828
"433962"	174.013423	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+NH4"	18.033823
"792772"	252.003223	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+NH4"	18.033823
"1695661"	96.023623	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+NH4"	18.033823
"343577"	87.5103495	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+H+NH4"	19.041099
"737092"	126.5052495	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+H+NH4"	19.041099
"1490182"	48.5154495	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H+NH4"	19.041099
"403394"	178.968818	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+Na"	22.989218
"758922"	256.958618	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+Na"	22.989218
"1618422"	100.979018	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Na"	22.989218
"329928"	89.988047	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+H+Na"	23.996494
"718230"	128.982947	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+H+Na"	23.996494
"1473145"	50.993147	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H+Na"	23.996494
"1066395"	34.33119	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2H+Na"	25.00377
"1270986"	111.023286	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+CH3OH+H"	33.033486
"391019"	194.942758	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+K"	38.963158
"750921"	272.932558	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+K"	38.963158
"1553712"	116.952958	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+K"	38.963158
"312342"	97.975017	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+H+K"	39.970434
"705495"	136.969917	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+H+K"	39.970434
"1457493"	58.980117	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H+K"	39.970434
"246097"	198.013426	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+ACN+H"	42.033826
"1215889"	120.023626	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+ACN+H"	42.033826
"1200867"	60.515451	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+ACN+2H"	43.041102
"201753"	200.95076	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+2Na-H"	44.97116
"634390"	278.94056	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+2Na-H"	44.97116
"1141905"	122.96096	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2Na-H"	44.97116
"183007"	100.979018	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+2Na"	45.978436
"624027"	139.973918	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+2Na"	45.978436
"1123524"	61.984118	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2Na"	45.978436
"1408869"	41.658504	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H+2Na"	46.985712
"1433328"	125.002546	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H+HCOOH"	47.012746
"222660"	106.01204	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+3H2O+2H"	56.04448
"1516194"	139.05459	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+IsoProp+H"	61.06479
"420254"	108.965988	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+Na+K"	61.952376
"780887"	147.960888	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+Na+K"	61.952376
"1677948"	69.971088	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Na+K"	61.952376
"264104"	219.995368	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+ACN+Na"	64.015768
"1237542"	142.005568	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+ACN+Na"	64.015768
"1724607"	142.029093	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+NH4+HCOOH"	64.039293
"1187773"	48.985818	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+3Na"	68.967654
"1662043"	146.984488	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Na+HCOOH"	68.994688
"171092"	232.89864	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+2K-H"	76.91904
"604091"	310.88844	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+2K-H"	76.91904
"1098444"	154.90884	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2K-H"	76.91904
"153074"	116.952958	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"2M+2K"	77.926316
"589354"	155.947858	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"3M+2K"	77.926316
"1080426"	77.958058	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2K"	77.926316
"1105983"	156.923392	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2K+H"	78.933592
"1339086"	157.011007	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+DMSO+H"	79.021207
"1007618"	161.050176	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2ACN+H"	83.060376
"1527931"	162.043808	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+IsoProp+Na+H"	84.054008
"991095"	81.028726	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+2ACN+2H"	84.067652
"1591064"	162.958428	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+K+HCOOH"	84.968628
"1418180"	192.989938	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+H+CF3COOH"	115.000138
"1149207"	101.542001	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+3ACN+2H"	125.094202
"1697173"	210.016485	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+NH4+CF3COOH"	132.026685
"1643159"	214.97188	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+Na+CF3COOH"	136.98208
"1572611"	230.94582	"C13391"	"Aluminum hydroxide"	"Al(OH)3"	"77.9898"	"M+K+CF3COOH"	152.95602
"815010"	128.0626	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M"	0
"977242"	109.04421	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-H2O-H"	-19.01839
"67670"	84.3677906666667	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M-3H"	-3.021828
"512698"	127.055324	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M-3H"	-3.021828
"880055"	41.6802573333333	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-3H"	-3.021828
"4704"	127.055324	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M-2H"	-2.014552
"454115"	191.086624	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M-2H"	-2.014552
"827547"	63.024024	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-2H"	-2.014552
"87537"	255.117924	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M-H"	-1.007276
"529285"	383.180524	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M-H"	-1.007276
"910005"	127.055324	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-H"	-1.007276
"61464"	272.144471	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M-2H+NH4"	16.019271
"501024"	400.207071	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M-2H+NH4"	16.019271
"878096"	144.081871	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-2H+NH4"	16.019271
"44538"	277.099866	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M-2H+Na"	20.974666
"485922"	405.162466	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M-2H+Na"	20.974666
"862629"	149.037266	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-2H+Na"	20.974666
"1632891"	149.037266	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Na-2H"	20.974666
"105775"	145.043663	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M-H+Cl"	33.962126
"544240"	209.074963	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M-H+Cl"	33.962126
"934482"	81.012363	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-H+Cl"	33.962126
"277409"	291.094602	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+Cl"	34.969402
"669831"	419.157202	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+Cl"	34.969402
"1275673"	163.032002	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Cl"	34.969402
"26978"	293.073806	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M-2H+K"	36.948606
"463256"	421.136406	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M-2H+K"	36.948606
"839965"	165.011206	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-2H+K"	36.948606
"1564546"	165.011206	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+K-2H"	36.948606
"950242"	173.060794	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-H+HCOOH"	44.998194
"370646"	301.123401	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+HCOOH-H"	44.998201
"354529"	315.139051	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+Hac-H"	59.013851
"1505189"	187.076451	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Hac-H"	59.013851
"970908"	195.042751	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-H+NaCOOH"	66.980151
"121638"	163.032002	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+2Cl"	69.938804
"563019"	227.063302	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+2Cl"	69.938804
"1033642"	99.000702	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2Cl"	69.938804
"1255043"	206.981485	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Br"	78.918885
"1318216"	209.037472	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Cl+HCOOH"	80.974872
"1329880"	231.019429	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Cl+NaCOOH"	102.956829
"924232"	241.048186	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M-H+CF3COOH"	112.985586
"1297657"	277.024864	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Cl+CF3COOH"	148.962264
"1378370"	93.049924	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H-2H2O"	-35.012676
"1391857"	111.0599	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H-H2O"	-17.0027
"296646"	257.132476	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+H"	1.007276
"685788"	385.195076	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+H"	1.007276
"1363594"	129.069876	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H"	1.007276
"140494"	129.069876	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+2H"	2.014552
"577870"	193.101176	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+2H"	2.014552
"1047031"	65.038576	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2H"	2.014552
"217362"	86.3823426666667	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+3H"	3.021828
"654862"	129.069876	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+3H"	3.021828
"1174081"	43.6948093333333	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+3H"	3.021828
"430792"	274.159023	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+NH4"	18.033823
"789966"	402.221623	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+NH4"	18.033823
"1687025"	146.096423	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+NH4"	18.033823
"340771"	137.5831495	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+H+NH4"	19.041099
"731007"	201.6144495	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+H+NH4"	19.041099
"1489566"	73.5518495	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H+NH4"	19.041099
"405328"	279.114418	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+Na"	22.989218
"756844"	407.177018	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+Na"	22.989218
"1611509"	151.051818	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Na"	22.989218
"314778"	140.060847	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+H+Na"	23.996494
"716154"	204.092147	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+H+Na"	23.996494
"1467787"	76.029547	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H+Na"	23.996494
"1066502"	51.0221233333333	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2H+Na"	25.00377
"1268180"	161.096086	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+CH3OH+H"	33.033486
"385662"	295.088358	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+K"	38.963158
"748844"	423.150958	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+K"	38.963158
"1553458"	167.025758	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+K"	38.963158
"312452"	148.047817	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+H+K"	39.970434
"705241"	212.079117	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+H+K"	39.970434
"1459061"	84.016517	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H+K"	39.970434
"249123"	298.159026	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+ACN+H"	42.033826
"1221100"	170.096426	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+ACN+H"	42.033826
"1202797"	85.551851	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+ACN+2H"	43.041102
"196034"	301.09636	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+2Na-H"	44.97116
"634501"	429.15896	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+2Na-H"	44.97116
"1140922"	173.03376	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2Na-H"	44.97116
"183117"	151.051818	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+2Na"	45.978436
"623771"	215.083118	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+2Na"	45.978436
"1122541"	87.020518	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2Na"	45.978436
"1409344"	58.3494373333333	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H+2Na"	46.985712
"1431250"	175.075346	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H+HCOOH"	47.012746
"221919"	156.08484	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+3H2O+2H"	56.04448
"1514117"	189.12739	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+IsoProp+H"	61.06479
"418177"	159.038788	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+Na+K"	61.952376
"780997"	223.070088	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+Na+K"	61.952376
"1676236"	95.007488	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Na+K"	61.952376
"260569"	320.140968	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+ACN+Na"	64.015768
"1236559"	192.078368	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+ACN+Na"	64.015768
"1724717"	192.101893	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+NH4+HCOOH"	64.039293
"1187883"	65.6767513333333	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+3Na"	68.967654
"1663248"	197.057288	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Na+HCOOH"	68.994688
"171203"	333.04424	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+2K-H"	76.91904
"605295"	461.10684	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+2K-H"	76.91904
"1093086"	204.98164	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2K-H"	76.91904
"152091"	167.025758	"C13392"	"Azulene"	"C10H8"	"128.0626"	"2M+2K"	77.926316
"591649"	231.057058	"C13392"	"Azulene"	"C10H8"	"128.0626"	"3M+2K"	77.926316
"1079443"	102.994458	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2K"	77.926316
"1113746"	206.996192	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2K+H"	78.933592
"1344664"	207.083807	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+DMSO+H"	79.021207
"1011010"	211.122976	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2ACN+H"	83.060376
"1526948"	212.116608	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+IsoProp+Na+H"	84.054008
"990843"	106.065126	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+2ACN+2H"	84.067652
"1588988"	213.031228	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+K+HCOOH"	84.968628
"1416104"	243.062738	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+H+CF3COOH"	115.000138
"1153692"	126.578401	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+3ACN+2H"	125.094202
"1697203"	260.089285	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+NH4+CF3COOH"	132.026685
"1643269"	265.04468	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+Na+CF3COOH"	136.98208
"1572357"	281.01862	"C13392"	"Azulene"	"C10H8"	"128.0626"	"M+K+CF3COOH"	152.95602
"808193"	399.0233	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M"	0
"977351"	380.00491	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-H2O-H"	-19.01839
"67779"	265.008257333333	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M-3H"	-3.021828
"514630"	398.016024	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M-3H"	-3.021828
"886239"	132.000490666667	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-3H"	-3.021828
"9187"	398.016024	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M-2H"	-2.014552
"452041"	597.527674	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M-2H"	-2.014552
"825469"	198.504374	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-2H"	-2.014552
"87647"	797.039324	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M-H"	-1.007276
"530854"	1196.062624	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M-H"	-1.007276
"910117"	398.016024	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-H"	-1.007276
"62551"	814.065871	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M-2H+NH4"	16.019271
"500041"	1213.089171	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M-2H+NH4"	16.019271
"876750"	415.042571	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-2H+NH4"	16.019271
"45017"	819.021266	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M-2H+Na"	20.974666
"485792"	1218.044566	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M-2H+Na"	20.974666
"863591"	419.997966	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-2H+Na"	20.974666
"1631909"	419.997966	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Na-2H"	20.974666
"102605"	416.004363	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M-H+Cl"	33.962126
"542165"	615.516013	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M-H+Cl"	33.962126
"935683"	216.492713	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-H+Cl"	33.962126
"274241"	833.016002	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+Cl"	34.969402
"668849"	1232.039302	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+Cl"	34.969402
"1281251"	433.992702	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Cl"	34.969402
"22716"	834.995206	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M-2H+K"	36.948606
"464097"	1234.018506	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M-2H+K"	36.948606
"837891"	435.971906	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-2H+K"	36.948606
"1564658"	435.971906	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+K-2H"	36.948606
"951447"	444.021494	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-H+HCOOH"	44.998194
"365291"	843.044801	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+HCOOH-H"	44.998201
"353548"	857.060451	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+Hac-H"	59.013851
"1506027"	458.037151	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Hac-H"	59.013851
"971749"	466.003451	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-H+NaCOOH"	66.980151
"122844"	433.992702	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+2Cl"	69.938804
"562400"	633.504352	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+2Cl"	69.938804
"1035211"	234.481052	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2Cl"	69.938804
"1255152"	477.942185	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Br"	78.918885
"1318329"	479.998172	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Cl+HCOOH"	80.974872
"1331813"	501.980129	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Cl+NaCOOH"	102.956829
"924704"	512.008886	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M-H+CF3COOH"	112.985586
"1302505"	547.985564	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Cl+CF3COOH"	148.962264
"1381395"	364.010624	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H-2H2O"	-35.012676
"1394884"	382.0206	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H-H2O"	-17.0027
"297485"	799.053876	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+H"	1.007276
"685898"	1198.077176	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+H"	1.007276
"1362975"	400.030576	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H"	1.007276
"139510"	400.030576	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+2H"	2.014552
"578707"	599.542226	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+2H"	2.014552
"1047141"	200.518926	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2H"	2.014552
"216500"	267.022809333333	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+3H"	3.021828
"654970"	400.030576	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+3H"	3.021828
"1174553"	134.015042666667	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+3H"	3.021828
"430901"	816.080423	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+NH4"	18.033823
"790805"	1215.103723	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+NH4"	18.033823
"1688228"	417.057123	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+NH4"	18.033823
"340518"	408.5438495	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+H+NH4"	19.041099
"731117"	608.0554995	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+H+NH4"	19.041099
"1490769"	209.0321995	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H+NH4"	19.041099
"405802"	821.035818	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+Na"	22.989218
"756954"	1220.059118	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+Na"	22.989218
"1612712"	422.012518	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Na"	22.989218
"315820"	411.021547	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+H+Na"	23.996494
"716264"	610.533197	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+H+Na"	23.996494
"1467897"	211.509897	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H+Na"	23.996494
"1065519"	141.342356666667	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2H+Na"	25.00377
"1268290"	432.056786	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+CH3OH+H"	33.033486
"385772"	837.009758	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+K"	38.963158
"747861"	1236.033058	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+K"	38.963158
"1552468"	437.986458	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+K"	38.963158
"312198"	419.008517	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+H+K"	39.970434
"705230"	618.520167	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+H+K"	39.970434
"1458807"	219.496867	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H+K"	39.970434
"247409"	840.080426	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+ACN+H"	42.033826
"1219024"	441.057126	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+ACN+H"	42.033826
"1201815"	221.032201	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+ACN+2H"	43.041102
"191041"	843.01776	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+2Na-H"	44.97116
"633517"	1242.04106	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+2Na-H"	44.97116
"1137751"	443.99446	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2Na-H"	44.97116
"183227"	422.012518	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+2Na"	45.978436
"622788"	621.524168	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+2Na"	45.978436
"1120464"	222.500868	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2Na"	45.978436
"1407631"	148.669670666667	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H+2Na"	46.985712
"1431239"	446.036046	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H+HCOOH"	47.012746
"222029"	427.04554	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+3H2O+2H"	56.04448
"1517507"	460.08809	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+IsoProp+H"	61.06479
"421203"	429.999488	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+Na+K"	61.952376
"781107"	629.511138	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+Na+K"	61.952376
"1677440"	230.487838	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Na+K"	61.952376
"262866"	862.062368	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+ACN+Na"	64.015768
"1237763"	463.039068	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+ACN+Na"	64.015768
"1723734"	463.062593	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+NH4+HCOOH"	64.039293
"1185806"	155.996984666667	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+3Na"	68.967654
"1664451"	468.017988	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Na+HCOOH"	68.994688
"169124"	874.96564	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+2K-H"	76.91904
"605405"	1273.98894	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+2K-H"	76.91904
"1093196"	475.94234	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2K-H"	76.91904
"148920"	437.986458	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"2M+2K"	77.926316
"590666"	637.498108	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"3M+2K"	77.926316
"1077365"	238.474808	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2K"	77.926316
"1113128"	477.956892	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2K+H"	78.933592
"1342587"	478.044507	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+DMSO+H"	79.021207
"1010027"	482.083676	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2ACN+H"	83.060376
"1527058"	483.077308	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+IsoProp+Na+H"	84.054008
"991314"	241.545476	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+2ACN+2H"	84.067652
"1588126"	483.991928	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+K+HCOOH"	84.968628
"1414756"	514.023438	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+H+CF3COOH"	115.000138
"1151615"	262.058751	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+3ACN+2H"	125.094202
"1697078"	531.049985	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+NH4+CF3COOH"	132.026685
"1643379"	536.00538	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+Na+CF3COOH"	136.98208
"1573560"	551.97932	"C13400"	"Bufferin;Aspirin softam"	"C9H8O4C2H4NO2CO3AlMg2OH"	"399.0233"	"M+K+CF3COOH"	152.95602
"808303"	338.0991	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M"	0
"977460"	319.08071	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-H2O-H"	-19.01839
"67888"	224.392124	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M-3H"	-3.021828
"510729"	337.091824	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M-3H"	-3.021828
"886350"	111.692424	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-3H"	-3.021828
"4923"	337.091824	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M-2H"	-2.014552
"441570"	506.141374	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M-2H"	-2.014552
"825579"	168.042274	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-2H"	-2.014552
"84477"	675.190924	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M-H"	-1.007276
"528412"	1013.290024	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M-H"	-1.007276
"908767"	337.091824	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-H"	-1.007276
"59499"	692.217471	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M-2H+NH4"	16.019271
"500030"	1030.316571	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M-2H+NH4"	16.019271
"875767"	354.118371	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-2H+NH4"	16.019271
"44760"	697.172866	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M-2H+Na"	20.974666
"485417"	1035.271966	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M-2H+Na"	20.974666
"861029"	359.073766	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-2H+Na"	20.974666
"1632750"	359.073766	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Na-2H"	20.974666
"104902"	355.080163	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M-H+Cl"	33.962126
"543368"	524.129713	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M-H+Cl"	33.962126
"933607"	186.030613	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-H+Cl"	33.962126
"275444"	711.167602	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+Cl"	34.969402
"668959"	1049.266702	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+Cl"	34.969402
"1281361"	373.068502	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Cl"	34.969402
"25012"	713.146806	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M-2H+K"	36.948606
"461290"	1051.245906	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M-2H+K"	36.948606
"836905"	375.047706	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-2H+K"	36.948606
"1565860"	375.047706	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+K-2H"	36.948606
"952650"	383.097294	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-H+HCOOH"	44.998194
"369774"	721.196401	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+HCOOH-H"	44.998201
"356938"	735.212051	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+Hac-H"	59.013851
"1506137"	397.112951	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Hac-H"	59.013851
"971493"	405.079251	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-H+NaCOOH"	66.980151
"122222"	373.068502	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+2Cl"	69.938804
"562510"	542.118052	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+2Cl"	69.938804
"1033862"	204.018952	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2Cl"	69.938804
"1254532"	417.017985	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Br"	78.918885
"1318439"	419.073972	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Cl+HCOOH"	80.974872
"1327913"	441.055929	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Cl+NaCOOH"	102.956829
"924085"	451.084686	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M-H+CF3COOH"	112.985586
"1301523"	487.061364	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Cl+CF3COOH"	148.962264
"1381140"	303.086424	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H-2H2O"	-35.012676
"1391349"	321.0964	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H-H2O"	-17.0027
"296138"	677.205476	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+H"	1.007276
"688195"	1015.304576	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+H"	1.007276
"1363813"	339.106376	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H"	1.007276
"138891"	339.106376	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+2H"	2.014552
"578818"	508.155926	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+2H"	2.014552
"1048709"	170.056826	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2H"	2.014552
"216246"	226.406676	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+3H"	3.021828
"655079"	339.106376	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+3H"	3.021828
"1174298"	113.706976	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+3H"	3.021828
"428824"	694.232023	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+NH4"	18.033823
"792007"	1032.331123	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+NH4"	18.033823
"1688338"	356.132923	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+NH4"	18.033823
"342084"	347.6196495	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+H+NH4"	19.041099
"735600"	516.6691995	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+H+NH4"	19.041099
"1490881"	178.5700995	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H+NH4"	19.041099
"407980"	699.187418	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+Na"	22.989218
"759252"	1037.286518	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+Na"	22.989218
"1615738"	361.088318	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Na"	22.989218
"317023"	350.097347	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+H+Na"	23.996494
"714187"	519.146897	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+H+Na"	23.996494
"1468008"	181.047797	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H+Na"	23.996494
"1060160"	121.03429	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2H+Na"	25.00377
"1268400"	371.132586	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+CH3OH+H"	33.033486
"384789"	715.161358	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+K"	38.963158
"745784"	1053.260458	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+K"	38.963158
"1551120"	377.062258	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+K"	38.963158
"312308"	358.084317	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+H+K"	39.970434
"705462"	527.133867	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+H+K"	39.970434
"1455637"	189.034767	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H+K"	39.970434
"246425"	718.232026	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+ACN+H"	42.033826
"1219134"	380.132926	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+ACN+H"	42.033826
"1201924"	190.570101	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+ACN+2H"	43.041102
"191880"	721.16936	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+2Na-H"	44.97116
"632169"	1059.26846	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+2Na-H"	44.97116
"1137861"	383.07026	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2Na-H"	44.97116
"183337"	361.088318	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+2Na"	45.978436
"620711"	530.137868	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+2Na"	45.978436
"1123490"	192.038768	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2Na"	45.978436
"1404825"	128.361604	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H+2Na"	46.985712
"1431107"	385.111846	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H+HCOOH"	47.012746
"220134"	366.12134	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+3H2O+2H"	56.04448
"1514337"	399.16389	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+IsoProp+H"	61.06479
"419491"	369.075288	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+Na+K"	61.952376
"780488"	538.124838	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+Na+K"	61.952376
"1677914"	200.025738	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Na+K"	61.952376
"261154"	740.213968	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+ACN+Na"	64.015768
"1237873"	402.114868	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+ACN+Na"	64.015768
"1723844"	402.138393	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+NH4+HCOOH"	64.039293
"1184823"	135.688918	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+3Na"	68.967654
"1662015"	407.093788	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Na+HCOOH"	68.994688
"170329"	753.11724	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+2K-H"	76.91904
"609887"	1091.21634	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+2K-H"	76.91904
"1090025"	415.01814	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2K-H"	76.91904
"152309"	377.062258	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"2M+2K"	77.926316
"592962"	546.111808	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"3M+2K"	77.926316
"1075289"	208.012708	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2K"	77.926316
"1108498"	417.032692	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2K+H"	78.933592
"1341604"	417.120307	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+DMSO+H"	79.021207
"1009043"	421.159476	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2ACN+H"	83.060376
"1524981"	422.153108	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+IsoProp+Na+H"	84.054008
"990697"	211.083376	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+2ACN+2H"	84.067652
"1588115"	423.067728	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+K+HCOOH"	84.968628
"1414868"	453.099238	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+H+CF3COOH"	115.000138
"1150631"	231.596651	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+3ACN+2H"	125.094202
"1697052"	470.125785	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+NH4+CF3COOH"	132.026685
"1643489"	475.08118	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+Na+CF3COOH"	136.98208
"1572577"	491.05512	"C13403"	"Sodium caffeine benzoate"	"C8H10N4O2C7H5O2Na"	"338.0991"	"M+K+CF3COOH"	152.95602
"808413"	79.9378	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M"	0
"978663"	60.91941	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-H2O-H"	-19.01839
"69092"	52.2845906666667	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M-3H"	-3.021828
"509746"	78.930524	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M-3H"	-3.021828
"887553"	25.6386573333333	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-3H"	-3.021828
"7220"	78.930524	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M-2H"	-2.014552
"441436"	118.899424	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M-2H"	-2.014552
"825690"	38.961624	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-2H"	-2.014552
"86774"	158.868324	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M-H"	-1.007276
"531438"	238.806124	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M-H"	-1.007276
"908878"	78.930524	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-H"	-1.007276
"61190"	175.894871	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M-2H+NH4"	16.019271
"501357"	255.832671	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M-2H+NH4"	16.019271
"875878"	95.957071	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-2H+NH4"	16.019271
"44506"	180.850266	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M-2H+Na"	20.974666
"485889"	260.788066	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M-2H+Na"	20.974666
"862595"	100.912466	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-2H+Na"	20.974666
"1630671"	100.912466	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Na-2H"	20.974666
"104648"	96.918863	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M-H+Cl"	33.962126
"542383"	136.887763	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M-H+Cl"	33.962126
"934812"	56.949963	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-H+Cl"	33.962126
"278835"	194.845002	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+Cl"	34.969402
"666882"	274.782802	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+Cl"	34.969402
"1281472"	114.907202	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Cl"	34.969402
"22570"	196.824206	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M-2H+K"	36.948606
"462494"	276.762006	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M-2H+K"	36.948606
"838111"	116.886406	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-2H+K"	36.948606
"1561597"	116.886406	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+K-2H"	36.948606
"950574"	124.935994	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-H+HCOOH"	44.998194
"369884"	204.873801	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+HCOOH-H"	44.998201
"355592"	218.889451	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+Hac-H"	59.013851
"1505154"	138.951651	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Hac-H"	59.013851
"971602"	146.917951	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-H+NaCOOH"	66.980151
"123061"	114.907202	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+2Cl"	69.938804
"562620"	154.876102	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+2Cl"	69.938804
"1034700"	74.938302	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2Cl"	69.938804
"1254278"	158.856685	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Br"	78.918885
"1317456"	160.912672	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Cl+HCOOH"	80.974872
"1331303"	182.894629	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Cl+NaCOOH"	102.956829
"925654"	192.923386	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M-H+CF3COOH"	112.985586
"1303454"	228.900064	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Cl+CF3COOH"	148.962264
"1380521"	44.925124	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H-2H2O"	-35.012676
"1396925"	62.9351	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H-H2O"	-17.0027
"295516"	160.882876	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+H"	1.007276
"689765"	240.820676	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+H"	1.007276
"1363923"	80.945076	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H"	1.007276
"134991"	80.945076	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+2H"	2.014552
"577833"	120.913976	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+2H"	2.014552
"1050279"	40.976176	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2H"	2.014552
"212344"	54.2991426666667	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+3H"	3.021828
"654824"	80.945076	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+3H"	3.021828
"1165660"	27.6532093333333	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+3H"	3.021828
"431120"	177.909423	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+NH4"	18.033823
"797583"	257.847223	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+NH4"	18.033823
"1689542"	97.971623	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+NH4"	18.033823
"344018"	89.4583495	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+H+NH4"	19.041099
"736439"	129.4272495	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+H+NH4"	19.041099
"1491355"	49.4894495	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H+NH4"	19.041099
"407846"	182.864818	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+Na"	22.989218
"759362"	262.802618	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+Na"	22.989218
"1611836"	102.927018	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Na"	22.989218
"316769"	91.936047	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+H+Na"	23.996494
"712106"	131.904947	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+H+Na"	23.996494
"1463741"	51.967147	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H+Na"	23.996494
"1058082"	34.9805233333333	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2H+Na"	25.00377
"1263042"	112.971286	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+CH3OH+H"	33.033486
"385992"	198.838758	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+K"	38.963158
"745894"	278.776558	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+K"	38.963158
"1553416"	118.900958	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+K"	38.963158
"312782"	99.923017	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+H+K"	39.970434
"705935"	139.891917	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+H+K"	39.970434
"1457933"	59.954117	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H+K"	39.970434
"243257"	201.909426	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+ACN+H"	42.033826
"1218151"	121.971626	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+ACN+H"	42.033826
"1205315"	61.489451	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+ACN+2H"	43.041102
"193084"	204.84676	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+2Na-H"	44.97116
"634466"	284.78456	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+2Na-H"	44.97116
"1135783"	124.90896	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2Na-H"	44.97116
"183447"	102.927018	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+2Na"	45.978436
"624101"	142.895918	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+2Na"	45.978436
"1125421"	62.958118	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2Na"	45.978436
"1405664"	42.3078373333333	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H+2Na"	46.985712
"1430119"	126.950546	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H+HCOOH"	47.012746
"223100"	107.96004	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+3H2O+2H"	56.04448
"1514447"	141.00259	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+IsoProp+H"	61.06479
"417414"	110.913988	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+Na+K"	61.952376
"781328"	150.882888	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+Na+K"	61.952376
"1676566"	70.945088	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Na+K"	61.952376
"262357"	223.891368	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+ACN+Na"	64.015768
"1237982"	143.953568	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+ACN+Na"	64.015768
"1726141"	143.977093	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+NH4+HCOOH"	64.039293
"1186026"	49.6351513333333	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+3Na"	68.967654
"1663217"	148.932488	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Na+HCOOH"	68.994688
"169344"	236.79464	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+2K-H"	76.91904
"609997"	316.73244	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+2K-H"	76.91904
"1093416"	156.85684	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2K-H"	76.91904
"152419"	118.900958	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"2M+2K"	77.926316
"588698"	158.869858	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"3M+2K"	77.926316
"1073213"	78.932058	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2K"	77.926316
"1107515"	158.871392	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2K+H"	78.933592
"1339528"	158.959007	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+DMSO+H"	79.021207
"1010247"	162.998176	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2ACN+H"	83.060376
"1524846"	163.991808	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+IsoProp+Na+H"	84.054008
"991051"	82.002726	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+2ACN+2H"	84.067652
"1588346"	164.906428	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+K+HCOOH"	84.968628
"1415706"	194.937938	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+H+CF3COOH"	115.000138
"1149647"	102.516001	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+3ACN+2H"	125.094202
"1697293"	211.964485	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+NH4+CF3COOH"	132.026685
"1643599"	216.91988	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+Na+CF3COOH"	136.98208
"1573780"	232.89382	"C13409"	"Titanium dioxide;Titania"	"TiO2"	"79.9378"	"M+K+CF3COOH"	152.95602
"805243"	370.015	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M"	0
"976950"	350.99661	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-H2O-H"	-19.01839
"70296"	245.669390666667	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M-3H"	-3.021828
"513136"	369.007724	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M-3H"	-3.021828
"885474"	122.331057333333	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-3H"	-3.021828
"10609"	369.007724	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M-2H"	-2.014552
"444704"	554.015224	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M-2H"	-2.014552
"825794"	184.000224	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-2H"	-2.014552
"86879"	739.022724	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M-H"	-1.007276
"530455"	1109.037724	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M-H"	-1.007276
"910813"	369.007724	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-H"	-1.007276
"61299"	756.049271	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M-2H+NH4"	16.019271
"501467"	1126.064271	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M-2H+NH4"	16.019271
"878054"	386.034271	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-2H+NH4"	16.019271
"45710"	761.004666	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M-2H+Na"	20.974666
"485999"	1131.019666	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M-2H+Na"	20.974666
"860154"	390.989666	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-2H+Na"	20.974666
"1629321"	390.989666	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Na-2H"	20.974666
"105851"	386.996063	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M-H+Cl"	33.962126
"540307"	572.003563	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M-H+Cl"	33.962126
"937109"	201.988563	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-H+Cl"	33.962126
"281132"	774.999402	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+Cl"	34.969402
"666993"	1145.014402	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+Cl"	34.969402
"1279395"	404.984402	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Cl"	34.969402
"23044"	776.978606	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M-2H+K"	36.948606
"462604"	1146.993606	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M-2H+K"	36.948606
"838221"	406.963606	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-2H+K"	36.948606
"1563896"	406.963606	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+K-2H"	36.948606
"949589"	415.013194	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-H+HCOOH"	44.998194
"369630"	785.028201	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+HCOOH-H"	44.998201
"354608"	799.043851	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+Hac-H"	59.013851
"1502348"	429.028851	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Hac-H"	59.013851
"968795"	436.995151	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-H+NaCOOH"	66.980151
"123902"	404.984402	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+2Cl"	69.938804
"562730"	589.991902	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+2Cl"	69.938804
"1035539"	219.976902	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2Cl"	69.938804
"1254021"	448.933885	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Br"	78.918885
"1318657"	450.989872	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Cl+HCOOH"	80.974872
"1331413"	472.971829	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Cl+NaCOOH"	102.956829
"925398"	483.000586	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M-H+CF3COOH"	112.985586
"1297002"	518.977264	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Cl+CF3COOH"	148.962264
"1381967"	335.002324	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H-2H2O"	-35.012676
"1395939"	353.0123	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H-H2O"	-17.0027
"291251"	741.037276	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+H"	1.007276
"684766"	1111.052276	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+H"	1.007276
"1362574"	371.022276	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H"	1.007276
"137652"	371.022276	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+2H"	2.014552
"577942"	556.029776	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+2H"	2.014552
"1048928"	186.014776	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2H"	2.014552
"209174"	247.683942666667	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+3H"	3.021828
"653112"	371.022276	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+3H"	3.021828
"1163583"	124.345609333333	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+3H"	3.021828
"431230"	758.063823	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+NH4"	18.033823
"794411"	1128.078823	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+NH4"	18.033823
"1695118"	388.048823	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+NH4"	18.033823
"342303"	379.5355495	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+H+NH4"	19.041099
"736549"	564.5430495	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+H+NH4"	19.041099
"1491101"	194.5280495	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H+NH4"	19.041099
"407591"	763.019218	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+Na"	22.989218
"759472"	1133.034218	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+Na"	22.989218
"1611946"	393.004218	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Na"	22.989218
"320887"	382.013247	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+H+Na"	23.996494
"713309"	567.020747	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+H+Na"	23.996494
"1463122"	197.005747	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H+Na"	23.996494
"1061471"	131.672923333333	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2H+Na"	25.00377
"1263152"	403.048486	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+CH3OH+H"	33.033486
"386102"	778.993158	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+K"	38.963158
"746004"	1149.008158	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+K"	38.963158
"1554255"	408.978158	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+K"	38.963158
"313985"	390.000217	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+H+K"	39.970434
"704223"	575.007717	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+H+K"	39.970434
"1456949"	204.992717	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H+K"	39.970434
"245552"	782.063826	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+ACN+H"	42.033826
"1214981"	412.048826	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+ACN+H"	42.033826
"1205424"	206.528051	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+ACN+2H"	43.041102
"190642"	785.00116	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+2Na-H"	44.97116
"629223"	1155.01616	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+2Na-H"	44.97116
"1139173"	414.98616	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2Na-H"	44.97116
"181370"	393.004218	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+2Na"	45.978436
"624211"	578.011718	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+2Na"	45.978436
"1126623"	207.996718	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2Na"	45.978436
"1407960"	139.000237333333	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H+2Na"	46.985712
"1430147"	417.027746	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H+HCOOH"	47.012746
"221021"	398.03724	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+3H2O+2H"	56.04448
"1515650"	431.07979	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+IsoProp+H"	61.06479
"412421"	400.991188	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+Na+K"	61.952376
"783260"	585.998688	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+Na+K"	61.952376
"1677769"	215.983688	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Na+K"	61.952376
"262467"	804.045768	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+ACN+Na"	64.015768
"1236999"	434.030768	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+ACN+Na"	64.015768
"1725157"	434.054293	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+NH4+HCOOH"	64.039293
"1187228"	146.327551333333	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+3Na"	68.967654
"1662964"	439.009688	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Na+HCOOH"	68.994688
"169454"	816.94904	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+2K-H"	76.91904
"605732"	1186.96404	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+2K-H"	76.91904
"1094619"	446.93404	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2K-H"	76.91904
"152529"	408.978158	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"2M+2K"	77.926316
"592087"	593.985658	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"3M+2K"	77.926316
"1073324"	223.970658	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2K"	77.926316
"1108718"	448.948592	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2K+H"	78.933592
"1342918"	449.036207	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+DMSO+H"	79.021207
"1006460"	453.075376	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2ACN+H"	83.060376
"1524829"	454.069008	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+IsoProp+Na+H"	84.054008
"991644"	227.041326	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+2ACN+2H"	84.067652
"1589063"	454.983628	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+K+HCOOH"	84.968628
"1417274"	485.015138	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+H+CF3COOH"	115.000138
"1150850"	247.554601	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+3ACN+2H"	125.094202
"1697606"	502.041685	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+NH4+CF3COOH"	132.026685
"1643709"	506.99708	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+Na+CF3COOH"	136.98208
"1571825"	522.97102	"C13410"	"Transfluthrin;(2356-Tetrafluorophenyl)methyl(1R3S)-3-(22-dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C15H12Cl2F4O2"	"370.015"	"M+K+CF3COOH"	152.95602
"808633"	300.0796	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M"	0
"979977"	281.06121	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-H2O-H"	-19.01839
"70406"	199.045790666667	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M-3H"	-3.021828
"512153"	299.072324	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M-3H"	-3.021828
"893239"	99.0192573333333	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-3H"	-3.021828
"12907"	299.072324	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M-2H"	-2.014552
"454291"	449.112124	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M-2H"	-2.014552
"827727"	149.032524	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-2H"	-2.014552
"86989"	599.151924	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M-H"	-1.007276
"519500"	899.231524	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M-H"	-1.007276
"899977"	299.072324	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-H"	-1.007276
"62100"	616.178471	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M-2H+NH4"	16.019271
"502268"	916.258071	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M-2H+NH4"	16.019271
"878774"	316.098871	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-2H+NH4"	16.019271
"46307"	621.133866	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M-2H+Na"	20.974666
"486678"	921.213466	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M-2H+Na"	20.974666
"860628"	321.054266	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-2H+Na"	20.974666
"1631619"	321.054266	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Na-2H"	20.974666
"105961"	317.060663	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M-H+Cl"	33.962126
"540418"	467.100463	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M-H+Cl"	33.962126
"938312"	167.020863	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-H+Cl"	33.962126
"279055"	635.128602	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+Cl"	34.969402
"668197"	935.208202	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+Cl"	34.969402
"1279505"	335.049002	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Cl"	34.969402
"20970"	637.107806	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M-2H+K"	36.948606
"462715"	937.187406	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M-2H+K"	36.948606
"838332"	337.028206	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-2H+K"	36.948606
"1561820"	337.028206	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+K-2H"	36.948606
"948607"	345.077794	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-H+HCOOH"	44.998194
"371562"	645.157401	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+HCOOH-H"	44.998201
"358363"	659.173051	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+Hac-H"	59.013851
"1506467"	359.093451	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Hac-H"	59.013851
"970728"	367.059751	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-H+NaCOOH"	66.980151
"122552"	335.049002	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+2Cl"	69.938804
"563570"	485.088802	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+2Cl"	69.938804
"1034920"	185.009202	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2Cl"	69.938804
"1253038"	378.998485	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Br"	78.918885
"1319131"	381.054472	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Cl+HCOOH"	80.974872
"1332617"	403.036429	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Cl+NaCOOH"	102.956829
"926928"	413.065186	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M-H+CF3COOH"	112.985586
"1302945"	449.041864	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Cl+CF3COOH"	148.962264
"1382159"	265.066924	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H-2H2O"	-35.012676
"1398159"	283.0769	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H-H2O"	-17.0027
"296464"	601.166476	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+H"	1.007276
"689615"	901.246076	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+H"	1.007276
"1361225"	301.086876	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H"	1.007276
"137397"	301.086876	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+2H"	2.014552
"576959"	451.126676	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+2H"	2.014552
"1049038"	151.047076	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2H"	2.014552
"212564"	201.060342666667	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+3H"	3.021828
"657596"	301.086876	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+3H"	3.021828
"1164787"	101.033809333333	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+3H"	3.021828
"431340"	618.193023	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+NH4"	18.033823
"792335"	918.272623	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+NH4"	18.033823
"1695227"	318.113423	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+NH4"	18.033823
"339133"	309.6001495	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+H+NH4"	19.041099
"736659"	459.6399495	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+H+NH4"	19.041099
"1489752"	159.5603495	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H+NH4"	19.041099
"406242"	623.148418	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+Na"	22.989218
"762863"	923.228018	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+Na"	22.989218
"1608774"	323.068818	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Na"	22.989218
"315896"	312.077847	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+H+Na"	23.996494
"709410"	462.117647	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+H+Na"	23.996494
"1464324"	162.038047	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H+Na"	23.996494
"1061581"	108.361123333333	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2H+Na"	25.00377
"1264355"	333.113086	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+CH3OH+H"	33.033486
"386212"	639.122358	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+K"	38.963158
"742834"	939.201958	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+K"	38.963158
"1553272"	339.042758	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+K"	38.963158
"311908"	320.064817	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+H+K"	39.970434
"701052"	470.104617	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+H+K"	39.970434
"1452683"	170.025017	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H+K"	39.970434
"244568"	642.193026	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+ACN+H"	42.033826
"1215090"	342.113426	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+ACN+H"	42.033826
"1203347"	171.560351	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+ACN+2H"	43.041102
"189778"	645.13036	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+2Na-H"	44.97116
"630916"	945.20996	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+2Na-H"	44.97116
"1136367"	345.05076	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2Na-H"	44.97116
"181480"	323.068818	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+2Na"	45.978436
"619582"	473.108618	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+2Na"	45.978436
"1124547"	173.029018	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2Na"	45.978436
"1406977"	115.688437333333	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H+2Na"	46.985712
"1433622"	347.092346	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H+HCOOH"	47.012746
"221617"	328.10184	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+3H2O+2H"	56.04448
"1515760"	361.14439	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+IsoProp+H"	61.06479
"415447"	331.055788	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+Na+K"	61.952376
"782640"	481.095588	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+Na+K"	61.952376
"1677149"	181.015988	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Na+K"	61.952376
"260390"	664.174968	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+ACN+Na"	64.015768
"1237109"	364.095368	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+ACN+Na"	64.015768
"1726360"	364.118893	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+NH4+HCOOH"	64.039293
"1190618"	123.015751333333	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+3Na"	68.967654
"1664168"	369.074288	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Na+HCOOH"	68.994688
"171751"	677.07824	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+2K-H"	76.91904
"604749"	977.15784	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+2K-H"	76.91904
"1094729"	376.99864	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2K-H"	76.91904
"152639"	339.042758	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"2M+2K"	77.926316
"591104"	489.082558	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"3M+2K"	77.926316
"1076714"	189.002958	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2K"	77.926316
"1109922"	379.013192	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2K+H"	78.933592
"1341935"	379.100807	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+DMSO+H"	79.021207
"1006331"	383.139976	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2ACN+H"	83.060376
"1525062"	384.133608	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+IsoProp+Na+H"	84.054008
"991026"	192.073626	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+2ACN+2H"	84.067652
"1588322"	385.048228	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+K+HCOOH"	84.968628
"1416656"	415.079738	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+H+CF3COOH"	115.000138
"1150961"	212.586901	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+3ACN+2H"	125.094202
"1697187"	432.106285	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+NH4+CF3COOH"	132.026685
"1646006"	437.06168	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+Na+CF3COOH"	136.98208
"1572056"	453.03562	"C13414"	"Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate"	"C15H17O3SNa"	"300.0796"	"M+K+CF3COOH"	152.95602
"808744"	370.0851	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M"	0
"976808"	351.06671	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-H2O-H"	-19.01839
"68332"	245.716124	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M-3H"	-3.021828
"511175"	369.077824	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M-3H"	-3.021828
"886789"	122.354424	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-3H"	-3.021828
"11927"	369.077824	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M-2H"	-2.014552
"450397"	554.120374	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M-2H"	-2.014552
"827837"	184.035274	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-2H"	-2.014552
"86007"	739.162924	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M-H"	-1.007276
"519126"	1109.248024	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M-H"	-1.007276
"906289"	369.077824	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-H"	-1.007276
"62006"	756.189471	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M-2H+NH4"	16.019271
"501568"	1126.274571	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M-2H+NH4"	16.019271
"878394"	386.104371	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-2H+NH4"	16.019271
"45202"	761.144866	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M-2H+Na"	20.974666
"486386"	1131.229966	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M-2H+Na"	20.974666
"861103"	391.059766	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-2H+Na"	20.974666
"1633437"	391.059766	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Na-2H"	20.974666
"108626"	387.066163	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M-H+Cl"	33.962126
"541629"	572.108713	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M-H+Cl"	33.962126
"941463"	202.023613	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-H+Cl"	33.962126
"279166"	775.139602	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+Cl"	34.969402
"668308"	1145.224702	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+Cl"	34.969402
"1280709"	405.054502	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Cl"	34.969402
"21079"	777.118806	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M-2H+K"	36.948606
"459909"	1147.203906	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M-2H+K"	36.948606
"839166"	407.033706	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-2H+K"	36.948606
"1559374"	407.033706	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+K-2H"	36.948606
"947257"	415.083294	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-H+HCOOH"	44.998194
"366933"	785.168401	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+HCOOH-H"	44.998201
"354096"	799.184051	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+Hac-H"	59.013851
"1505482"	429.098951	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Hac-H"	59.013851
"970107"	437.065251	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-H+NaCOOH"	66.980151
"122296"	405.054502	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+2Cl"	69.938804
"564411"	590.097052	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+2Cl"	69.938804
"1031749"	220.011952	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2Cl"	69.938804
"1253149"	449.003985	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Br"	78.918885
"1315963"	451.059972	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Cl+HCOOH"	80.974872
"1329457"	473.041929	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Cl+NaCOOH"	102.956829
"925617"	483.070686	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M-H+CF3COOH"	112.985586
"1301597"	519.047364	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Cl+CF3COOH"	148.962264
"1376475"	335.072424	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H-2H2O"	-35.012676
"1389600"	353.0824	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H-H2O"	-17.0027
"293661"	741.177476	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+H"	1.007276
"682801"	1111.262576	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+H"	1.007276
"1361338"	371.092376	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H"	1.007276
"133132"	371.092376	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+2H"	2.014552
"575974"	556.134926	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+2H"	2.014552
"1049146"	186.049826	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2H"	2.014552
"213773"	247.730676	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+3H"	3.021828
"650052"	371.092376	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+3H"	3.021828
"1165991"	124.368976	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+3H"	3.021828
"428171"	758.204023	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+NH4"	18.033823
"789165"	1128.289123	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+NH4"	18.033823
"1687684"	388.118923	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+NH4"	18.033823
"340335"	379.6056495	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+H+NH4"	19.041099
"736038"	564.6481995	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+H+NH4"	19.041099
"1490951"	194.5630995	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H+NH4"	19.041099
"397603"	763.159418	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+Na"	22.989218
"760784"	1133.244518	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+Na"	22.989218
"1608883"	393.074318	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Na"	22.989218
"323298"	382.083347	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+H+Na"	23.996494
"712073"	567.125897	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+H+Na"	23.996494
"1466987"	197.040797	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H+Na"	23.996494
"1064975"	131.69629	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2H+Na"	25.00377
"1269937"	403.118586	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+CH3OH+H"	33.033486
"390699"	779.133358	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+K"	38.963158
"749512"	1149.218458	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+K"	38.963158
"1549378"	409.048258	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+K"	38.963158
"310929"	390.070317	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+H+K"	39.970434
"698977"	575.112867	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+H+K"	39.970434
"1452794"	205.027767	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H+K"	39.970434
"243585"	782.204026	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+ACN+H"	42.033826
"1216291"	412.118926	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+ACN+H"	42.033826
"1203458"	206.563101	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+ACN+2H"	43.041102
"195234"	785.14136	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+2Na-H"	44.97116
"636981"	1155.22646	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+2Na-H"	44.97116
"1136841"	415.05626	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2Na-H"	44.97116
"183777"	393.074318	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+2Na"	45.978436
"624429"	578.116868	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+2Na"	45.978436
"1119186"	208.031768	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2Na"	45.978436
"1401617"	139.023604	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H+2Na"	46.985712
"1433003"	417.097846	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H+HCOOH"	47.012746
"222337"	398.10734	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+3H2O+2H"	56.04448
"1514776"	431.14989	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+IsoProp+H"	61.06479
"421756"	401.061288	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+Na+K"	61.952376
"783482"	586.103838	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+Na+K"	61.952376
"1678354"	216.018738	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Na+K"	61.952376
"266334"	804.185968	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+ACN+Na"	64.015768
"1239407"	434.100868	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+ACN+Na"	64.015768
"1723919"	434.124393	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+NH4+HCOOH"	64.039293
"1193289"	146.350918	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+3Na"	68.967654
"1664279"	439.079788	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Na+HCOOH"	68.994688
"172552"	817.08924	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+2K-H"	76.91904
"609233"	1187.17434	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+2K-H"	76.91904
"1099215"	447.00414	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2K-H"	76.91904
"147283"	409.048258	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"2M+2K"	77.926316
"593407"	594.090808	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"3M+2K"	77.926316
"1072451"	224.005708	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2K"	77.926316
"1100801"	449.018692	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2K+H"	78.933592
"1337427"	449.106307	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+DMSO+H"	79.021207
"1008391"	453.145476	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2ACN+H"	83.060376
"1524934"	454.139108	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+IsoProp+Na+H"	84.054008
"991260"	227.076376	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+2ACN+2H"	84.067652
"1588921"	455.053728	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+K+HCOOH"	84.968628
"1414464"	485.085238	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+H+CF3COOH"	115.000138
"1152164"	247.589651	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+3ACN+2H"	125.094202
"1698070"	502.111785	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+NH4+CF3COOH"	132.026685
"1647209"	507.06718	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+Na+CF3COOH"	136.98208
"1581768"	523.04112	"C13416"	"Sodium equilin sulfate"	"C18H19O5SNa"	"370.0851"	"M+K+CF3COOH"	152.95602
"808854"	460.2825	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M"	0
"975215"	441.26411	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-H2O-H"	-19.01839
"67348"	305.847724	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M-3H"	-3.021828
"511285"	459.275224	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M-3H"	-3.021828
"887993"	152.420224	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-3H"	-3.021828
"12037"	459.275224	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M-2H"	-2.014552
"445036"	689.416474	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M-2H"	-2.014552
"827218"	229.133974	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-2H"	-2.014552
"87940"	919.557724	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M-H"	-1.007276
"519478"	1379.840224	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M-H"	-1.007276
"903484"	459.275224	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-H"	-1.007276
"61385"	936.584271	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M-2H+NH4"	16.019271
"501310"	1396.866771	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M-2H+NH4"	16.019271
"876317"	476.301771	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-2H+NH4"	16.019271
"45312"	941.539666	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M-2H+Na"	20.974666
"485603"	1401.822166	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M-2H+Na"	20.974666
"860849"	481.257166	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-2H+Na"	20.974666
"1632938"	481.257166	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Na-2H"	20.974666
"107279"	477.263563	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M-H+Cl"	33.962126
"545018"	707.404813	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M-H+Cl"	33.962126
"940355"	247.122313	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-H+Cl"	33.962126
"278183"	955.534402	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+Cl"	34.969402
"674130"	1415.816902	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+Cl"	34.969402
"1277541"	495.251902	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Cl"	34.969402
"22281"	957.513606	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M-2H+K"	36.948606
"460384"	1417.796106	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M-2H+K"	36.948606
"839275"	497.231106	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-2H+K"	36.948606
"1560942"	497.231106	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+K-2H"	36.948606
"948823"	505.280694	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-H+HCOOH"	44.998194
"365949"	965.563201	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+HCOOH-H"	44.998201
"352019"	979.578851	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+Hac-H"	59.013851
"1501947"	519.296351	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Hac-H"	59.013851
"968759"	527.262651	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-H+NaCOOH"	66.980151
"120219"	495.251902	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+2Cl"	69.938804
"564157"	725.393152	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+2Cl"	69.938804
"1035145"	265.110652	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2Cl"	69.938804
"1255082"	539.201385	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Br"	78.918885
"1313886"	541.257372	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Cl+HCOOH"	80.974872
"1330661"	563.239329	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Cl+NaCOOH"	102.956829
"926093"	573.268086	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M-H+CF3COOH"	112.985586
"1302437"	609.244764	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Cl+CF3COOH"	148.962264
"1381203"	425.269824	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H-2H2O"	-35.012676
"1396270"	443.2798	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H-H2O"	-17.0027
"293772"	921.572276	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+H"	1.007276
"684004"	1381.854776	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+H"	1.007276
"1364728"	461.289776	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H"	1.007276
"135429"	461.289776	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+2H"	2.014552
"574991"	691.431026	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+2H"	2.014552
"1050349"	231.148526	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2H"	2.014552
"208415"	307.862276	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+3H"	3.021828
"647246"	461.289776	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+3H"	3.021828
"1166100"	154.434776	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+3H"	3.021828
"428281"	938.598823	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+NH4"	18.033823
"789275"	1398.881323	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+NH4"	18.033823
"1683420"	478.316323	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+NH4"	18.033823
"337165"	469.8030495	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+H+NH4"	19.041099
"732868"	699.9442995	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+H+NH4"	19.041099
"1487782"	239.6617995	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H+NH4"	19.041099
"398806"	943.554218	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+Na"	22.989218
"759801"	1403.836718	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+Na"	22.989218
"1606806"	483.271718	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Na"	22.989218
"320120"	472.280747	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+H+Na"	23.996494
"713636"	702.421997	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+H+Na"	23.996494
"1463816"	242.139497	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H+Na"	23.996494
"1065085"	161.76209	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2H+Na"	25.00377
"1271020"	493.315986	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+CH3OH+H"	33.033486
"390810"	959.528158	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+K"	38.963158
"750715"	1419.810658	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+K"	38.963158
"1550215"	499.245658	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+K"	38.963158
"309945"	480.267717	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+H+K"	39.970434
"699086"	710.408967	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+H+K"	39.970434
"1452904"	250.126467	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H+K"	39.970434
"244788"	962.598826	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+ACN+H"	42.033826
"1216401"	502.316326	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+ACN+H"	42.033826
"1200288"	251.661801	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+ACN+2H"	43.041102
"196437"	965.53616	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+2Na-H"	44.97116
"635998"	1425.81866	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+2Na-H"	44.97116
"1136587"	505.25366	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2Na-H"	44.97116
"181700"	483.271718	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+2Na"	45.978436
"620166"	713.412968	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+2Na"	45.978436
"1118203"	253.130468	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2Na"	45.978436
"1401727"	169.089404	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H+2Na"	46.985712
"1430562"	507.295246	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H+HCOOH"	47.012746
"220109"	488.30474	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+3H2O+2H"	56.04448
"1512699"	521.34729	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+IsoProp+H"	61.06479
"415667"	491.258688	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+Na+K"	61.952376
"783590"	721.399938	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+Na+K"	61.952376
"1678100"	261.117438	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Na+K"	61.952376
"261704"	984.580768	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+ACN+Na"	64.015768
"1239151"	524.298268	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+ACN+Na"	64.015768
"1724392"	524.321793	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+NH4+HCOOH"	64.039293
"1193277"	176.416718	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+3Na"	68.967654
"1662564"	529.277188	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Na+HCOOH"	68.994688
"169788"	997.48404	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+2K-H"	76.91904
"610437"	1457.76654	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+2K-H"	76.91904
"1098109"	537.20154	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2K-H"	76.91904
"147393"	499.245658	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"2M+2K"	77.926316
"585860"	729.386908	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"3M+2K"	77.926316
"1076931"	269.104408	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2K"	77.926316
"1105769"	539.216092	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2K+H"	78.933592
"1345432"	539.303707	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+DMSO+H"	79.021207
"1007770"	543.342876	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2ACN+H"	83.060376
"1525773"	544.336508	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+IsoProp+Na+H"	84.054008
"990760"	272.175076	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+2ACN+2H"	84.067652
"1589760"	545.251128	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+K+HCOOH"	84.968628
"1415425"	575.282638	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+H+CF3COOH"	115.000138
"1152274"	292.688351	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+3ACN+2H"	125.094202
"1697816"	592.309185	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+NH4+CF3COOH"	132.026685
"1647319"	597.26458	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+Na+CF3COOH"	136.98208
"1578598"	613.23852	"C13422"	"Hydrocortisone caproate;2-(1117-Dihydroxy-1013-dimethyl-3-oxo-1267891011121314151617-tetradecahydrocyclopentaaphenanthren-17-yl)-2-oxo-ethylhexanoate"	"C27H40O6"	"460.2825"	"M+K+CF3COOH"	152.95602
"808965"	546.4073	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M"	0
"986872"	527.38891	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-H2O-H"	-19.01839
"70742"	363.264257333333	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M-3H"	-3.021828
"515770"	545.400024	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M-3H"	-3.021828
"892481"	181.128490666667	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-3H"	-3.021828
"8869"	545.400024	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M-2H"	-2.014552
"455122"	818.603674	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M-2H"	-2.014552
"832488"	272.196374	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-2H"	-2.014552
"92669"	1091.807324	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M-H"	-1.007276
"533702"	1638.214624	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M-H"	-1.007276
"906510"	545.400024	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-H"	-1.007276
"61132"	1108.833871	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M-2H+NH4"	16.019271
"502734"	1655.241171	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M-2H+NH4"	16.019271
"879468"	562.426571	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-2H+NH4"	16.019271
"46400"	1113.789266	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M-2H+Na"	20.974666
"486084"	1660.196566	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M-2H+Na"	20.974666
"862424"	567.381966	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-2H+Na"	20.974666
"1633175"	567.381966	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Na-2H"	20.974666
"105569"	563.388363	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M-H+Cl"	33.962126
"549020"	836.592013	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M-H+Cl"	33.962126
"940710"	290.184713	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-H+Cl"	33.962126
"276106"	1127.784002	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+Cl"	34.969402
"670714"	1674.191302	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+Cl"	34.969402
"1280931"	581.376702	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Cl"	34.969402
"21298"	1129.763206	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M-2H+K"	36.948606
"461585"	1676.170506	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M-2H+K"	36.948606
"839750"	583.355906	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-2H+K"	36.948606
"1562149"	583.355906	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+K-2H"	36.948606
"947479"	591.405494	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-H+HCOOH"	44.998194
"367153"	1137.812801	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+HCOOH-H"	44.998201
"356505"	1151.828451	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+Hac-H"	59.013851
"1506676"	605.421151	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Hac-H"	59.013851
"972883"	613.387451	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-H+NaCOOH"	66.980151
"124220"	581.376702	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+2Cl"	69.938804
"562807"	854.580352	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+2Cl"	69.938804
"1035494"	308.173052	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2Cl"	69.938804
"1255439"	625.326185	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Br"	78.918885
"1319470"	627.382172	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Cl+HCOOH"	80.974872
"1333321"	649.364129	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Cl+NaCOOH"	102.956829
"926880"	659.392886	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M-H+CF3COOH"	112.985586
"1302059"	695.369564	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Cl+CF3COOH"	148.962264
"1379978"	511.394624	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H-2H2O"	-35.012676
"1393101"	529.4046	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H-H2O"	-17.0027
"287322"	1093.821876	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+H"	1.007276
"685208"	1640.229176	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+H"	1.007276
"1363745"	547.414576	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H"	1.007276
"130075"	547.414576	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+2H"	2.014552
"576193"	820.618226	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+2H"	2.014552
"1040626"	274.210926	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2H"	2.014552
"213994"	365.278809333333	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+3H"	3.021828
"651368"	547.414576	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+3H"	3.021828
"1167306"	183.143042666667	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+3H"	3.021828
"428392"	1110.848423	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+NH4"	18.033823
"788291"	1657.255723	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+NH4"	18.033823
"1683891"	564.441123	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+NH4"	18.033823
"333264"	555.9278495	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+H+NH4"	19.041099
"724591"	829.1314995	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+H+NH4"	19.041099
"1479506"	282.7241995	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H+NH4"	19.041099
"396727"	1115.803818	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+Na"	22.989218
"758818"	1662.211118	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+Na"	22.989218
"1608010"	569.396518	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Na"	22.989218
"318046"	558.405547	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+H+Na"	23.996494
"718128"	831.609197	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+H+Na"	23.996494
"1475720"	285.201897	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H+Na"	23.996494
"1067751"	190.470356666667	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2H+Na"	25.00377
"1271251"	579.440786	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+CH3OH+H"	33.033486
"392019"	1131.777758	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+K"	38.963158
"751920"	1678.185058	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+K"	38.963158
"1552879"	585.370458	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+K"	38.963158
"308959"	566.392517	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+H+K"	39.970434
"700289"	839.596167	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+H+K"	39.970434
"1454111"	293.188867	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H+K"	39.970434
"247086"	1134.848426	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+ACN+H"	42.033826
"1219795"	588.441126	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+ACN+H"	42.033826
"1206960"	294.724201	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+ACN+2H"	43.041102
"192175"	1137.78576	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+2Na-H"	44.97116
"641213"	1684.19306	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+2Na-H"	44.97116
"1142895"	591.37846	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2Na-H"	44.97116
"183633"	569.396518	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+2Na"	45.978436
"613471"	842.600168	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+2Na"	45.978436
"1117583"	296.192868	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2Na"	45.978436
"1400743"	197.797670666667	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H+2Na"	46.985712
"1431765"	593.420046	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H+HCOOH"	47.012746
"221461"	574.42954	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+3H2O+2H"	56.04448
"1512810"	607.47209	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+IsoProp+H"	61.06479
"411765"	577.383488	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+Na+K"	61.952376
"781147"	850.587138	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+Na+K"	61.952376
"1676385"	304.179838	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Na+K"	61.952376
"262906"	1156.830368	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+ACN+Na"	64.015768
"1239997"	610.423068	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+ACN+Na"	64.015768
"1722326"	610.446593	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+NH4+HCOOH"	64.039293
"1188773"	205.124984666667	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+3Na"	68.967654
"1659760"	615.401988	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Na+HCOOH"	68.994688
"169897"	1169.73364	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+2K-H"	76.91904
"609455"	1716.14094	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+2K-H"	76.91904
"1091782"	623.32634	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2K-H"	76.91904
"149692"	585.370458	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"2M+2K"	77.926316
"589251"	858.574108	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"3M+2K"	77.926316
"1071580"	312.166808	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2K"	77.926316
"1104787"	625.340892	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2K+H"	78.933592
"1339345"	625.428507	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+DMSO+H"	79.021207
"1006178"	629.467676	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2ACN+H"	83.060376
"1530016"	630.461308	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+IsoProp+Na+H"	84.054008
"990344"	315.237476	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+2ACN+2H"	84.067652
"1600450"	631.375928	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+K+HCOOH"	84.968628
"1425378"	661.407438	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+H+CF3COOH"	115.000138
"1158948"	335.750751	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+3ACN+2H"	125.094202
"1712511"	678.433985	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+NH4+CF3COOH"	132.026685
"1648891"	683.38938	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+Na+CF3COOH"	136.98208
"1581989"	699.36332	"C13425"	"3-Hexaprenyl-4-hydroxybenzoate;3-Hexaprenyl-4-hydroxybenzoic acid"	"C37H54O3"	"546.4073"	"M+K+CF3COOH"	152.95602
"809075"	454.1693	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M"	0
"982609"	435.15091	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-H2O-H"	-19.01839
"68665"	301.772257333333	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M-3H"	-3.021828
"513694"	453.162024	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M-3H"	-3.021828
"889311"	150.382490666667	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-3H"	-3.021828
"8979"	453.162024	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M-2H"	-2.014552
"453284"	680.246674	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M-2H"	-2.014552
"826344"	226.077374	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-2H"	-2.014552
"85242"	907.331324	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M-H"	-1.007276
"533327"	1361.500624	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M-H"	-1.007276
"908079"	453.162024	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-H"	-1.007276
"61367"	924.357871	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M-2H+NH4"	16.019271
"501295"	1378.527171	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M-2H+NH4"	16.019271
"878005"	470.188571	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-2H+NH4"	16.019271
"45903"	929.313266	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M-2H+Na"	20.974666
"486561"	1383.482566	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M-2H+Na"	20.974666
"863389"	475.143966	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-2H+Na"	20.974666
"1633166"	475.143966	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Na-2H"	20.974666
"106412"	471.150363	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M-H+Cl"	33.962126
"547793"	698.235013	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M-H+Cl"	33.962126
"940578"	244.065713	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-H+Cl"	33.962126
"277309"	943.308002	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+Cl"	34.969402
"669731"	1397.477302	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+Cl"	34.969402
"1279948"	489.138702	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Cl"	34.969402
"21411"	945.287206	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M-2H+K"	36.948606
"460970"	1399.456506	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M-2H+K"	36.948606
"838771"	491.117906	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-2H+K"	36.948606
"1562260"	491.117906	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+K-2H"	36.948606
"948681"	499.167494	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-H+HCOOH"	44.998194
"369451"	953.336801	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+HCOOH-H"	44.998201
"357343"	967.352451	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+Hac-H"	59.013851
"1504356"	513.183151	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Hac-H"	59.013851
"973356"	521.149451	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-H+NaCOOH"	66.980151
"125059"	489.138702	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+2Cl"	69.938804
"563281"	716.223352	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+2Cl"	69.938804
"1035483"	262.054052	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2Cl"	69.938804
"1255548"	533.088185	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Br"	78.918885
"1319461"	535.144172	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Cl+HCOOH"	80.974872
"1335491"	557.126129	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Cl+NaCOOH"	102.956829
"927004"	567.154886	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M-H+CF3COOH"	112.985586
"1304116"	603.131564	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Cl+CF3COOH"	148.962264
"1382521"	419.156624	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H-2H2O"	-35.012676
"1393211"	437.1666	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H-H2O"	-17.0027
"290712"	909.345876	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+H"	1.007276
"684225"	1363.515176	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+H"	1.007276
"1363855"	455.176576	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H"	1.007276
"133465"	455.176576	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+2H"	2.014552
"574117"	682.261226	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+2H"	2.014552
"1042924"	228.091926	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2H"	2.014552
"210824"	303.786809333333	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+3H"	3.021828
"653665"	455.176576	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+3H"	3.021828
"1169602"	152.397042666667	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+3H"	3.021828
"427042"	926.372423	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+NH4"	18.033823
"788768"	1380.541723	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+NH4"	18.033823
"1682908"	472.203123	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+NH4"	18.033823
"331186"	463.6898495	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+H+NH4"	19.041099
"725186"	690.7744995	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+H+NH4"	19.041099
"1479980"	236.6051995	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H+NH4"	19.041099
"395743"	931.327818	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+Na"	22.989218
"757833"	1385.497118	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+Na"	22.989218
"1608117"	477.158518	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Na"	22.989218
"317425"	466.167547	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+H+Na"	23.996494
"717145"	693.252197	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+H+Na"	23.996494
"1474249"	239.082897	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H+Na"	23.996494
"1065309"	159.724356666667	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2H+Na"	25.00377
"1268081"	487.202786	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+CH3OH+H"	33.033486
"391760"	947.301758	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+K"	38.963158
"752028"	1401.471058	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+K"	38.963158
"1554082"	493.132458	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+K"	38.963158
"309070"	474.154517	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+H+K"	39.970434
"701495"	701.239167	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+H+K"	39.970434
"1455314"	247.069867	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H+K"	39.970434
"247194"	950.372426	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+ACN+H"	42.033826
"1221728"	496.203126	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+ACN+H"	42.033826
"1207800"	248.605201	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+ACN+2H"	43.041102
"193013"	953.30976	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+2Na-H"	44.97116
"640593"	1407.47906	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+2Na-H"	44.97116
"1143005"	499.14046	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2Na-H"	44.97116
"183013"	477.158518	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+2Na"	45.978436
"613821"	704.243168	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+2Na"	45.978436
"1117448"	250.073868	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2Na"	45.978436
"1400853"	167.051670666667	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H+2Na"	46.985712
"1431146"	501.182046	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H+HCOOH"	47.012746
"221571"	482.19154	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+3H2O+2H"	56.04448
"1512186"	515.23409	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+IsoProp+H"	61.06479
"408712"	485.145488	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+Na+K"	61.952376
"781257"	712.230138	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+Na+K"	61.952376
"1674307"	258.060838	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Na+K"	61.952376
"257547"	972.354368	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+ACN+Na"	64.015768
"1239379"	518.185068	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+ACN+Na"	64.015768
"1723895"	518.208593	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+NH4+HCOOH"	64.039293
"1190343"	174.378984666667	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+3Na"	68.967654
"1662781"	523.163988	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Na+HCOOH"	68.994688
"170371"	985.25764	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+2K-H"	76.91904
"611022"	1439.42694	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+2K-H"	76.91904
"1091892"	531.08834	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2K-H"	76.91904
"146522"	493.132458	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"2M+2K"	77.926316
"586081"	720.217108	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"3M+2K"	77.926316
"1074970"	266.047808	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2K"	77.926316
"1101617"	533.102892	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2K+H"	78.933592
"1339091"	533.190507	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+DMSO+H"	79.021207
"1009814"	537.229676	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2ACN+H"	83.060376
"1530126"	538.223308	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+IsoProp+Na+H"	84.054008
"994387"	269.118476	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+2ACN+2H"	84.067652
"1599830"	539.137928	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+K+HCOOH"	84.968628
"1425488"	569.169438	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+H+CF3COOH"	115.000138
"1159058"	289.631751	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+3ACN+2H"	125.094202
"1711526"	586.195985	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+NH4+CF3COOH"	132.026685
"1649001"	591.15138	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+Na+CF3COOH"	136.98208
"1582099"	607.12532	"C13426"	"I-123 BMIPP;123I-15-(p-iodophenyl)-3-RS-methylpentadecanoic acid;I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid"	"C22H35IO2"	"454.1693"	"M+K+CF3COOH"	152.95602
"801893"	315.9319	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M"	0
"974438"	296.91351	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-H2O-H"	-19.01839
"66586"	209.613990666667	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M-3H"	-3.021828
"505415"	314.924624	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M-3H"	-3.021828
"886135"	104.303357333333	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-3H"	-3.021828
"3614"	314.924624	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M-2H"	-2.014552
"446463"	472.890574	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M-2H"	-2.014552
"819161"	156.958674	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-2H"	-2.014552
"79150"	630.856524	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M-H"	-1.007276
"533301"	946.788424	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M-H"	-1.007276
"907095"	314.924624	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-H"	-1.007276
"61349"	647.883071	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M-2H+NH4"	16.019271
"502542"	963.814971	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M-2H+NH4"	16.019271
"879653"	331.951171	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-2H+NH4"	16.019271
"46584"	652.838466	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M-2H+Na"	20.974666
"486469"	968.770366	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M-2H+Na"	20.974666
"863579"	336.906566	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-2H+Na"	20.974666
"1633561"	336.906566	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Na-2H"	20.974666
"108341"	332.912963	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M-H+Cl"	33.962126
"548876"	490.878913	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M-H+Cl"	33.962126
"942393"	174.947013	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-H+Cl"	33.962126
"281794"	666.833202	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+Cl"	34.969402
"669840"	982.765102	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+Cl"	34.969402
"1282242"	350.901302	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Cl"	34.969402
"19694"	668.812406	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M-2H+K"	36.948606
"459979"	984.744306	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M-2H+K"	36.948606
"838874"	352.880506	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-2H+K"	36.948606
"1559083"	352.880506	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+K-2H"	36.948606
"946967"	360.930094	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-H+HCOOH"	44.998194
"366276"	676.862001	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+HCOOH-H"	44.998201
"353443"	690.877651	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+Hac-H"	59.013851
"1502275"	374.945751	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Hac-H"	59.013851
"968359"	382.912051	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-H+NaCOOH"	66.980151
"117629"	350.901302	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+2Cl"	69.938804
"562295"	508.867252	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+2Cl"	69.938804
"1032553"	192.935352	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2Cl"	69.938804
"1252859"	394.850785	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Br"	78.918885
"1317135"	396.906772	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Cl+HCOOH"	80.974872
"1330623"	418.888729	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Cl+NaCOOH"	102.956829
"922047"	428.917486	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M-H+CF3COOH"	112.985586
"1301307"	464.894164	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Cl+CF3COOH"	148.962264
"1376914"	280.919224	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H-2H2O"	-35.012676
"1397697"	298.9292	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H-H2O"	-17.0027
"297015"	632.871076	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+H"	1.007276
"686519"	948.802976	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+H"	1.007276
"1363232"	316.939176	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H"	1.007276
"131384"	316.939176	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+2H"	2.014552
"566937"	474.905126	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+2H"	2.014552
"1046313"	158.973226	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2H"	2.014552
"210932"	211.628542666667	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+3H"	3.021828
"649398"	316.939176	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+3H"	3.021828
"1163877"	106.317909333333	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+3H"	3.021828
"425691"	649.897623	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+NH4"	18.033823
"787051"	965.829523	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+NH4"	18.033823
"1681555"	333.965723	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+NH4"	18.033823
"330021"	325.4524495	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+H+NH4"	19.041099
"722869"	483.4183995	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+H+NH4"	19.041099
"1479359"	167.4864995	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H+NH4"	19.041099
"393419"	654.853018	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+Na"	22.989218
"754293"	970.784918	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+Na"	22.989218
"1602742"	338.921118	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Na"	22.989218
"314267"	327.930147	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+H+Na"	23.996494
"708499"	485.896097	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+H+Na"	23.996494
"1474359"	169.964197	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H+Na"	23.996494
"1065419"	113.645223333333	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2H+Na"	25.00377
"1267097"	348.965386	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+CH3OH+H"	33.033486
"391142"	670.826958	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+K"	38.963158
"752138"	986.758858	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+K"	38.963158
"1554920"	354.895058	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+K"	38.963158
"313554"	335.917117	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+H+K"	39.970434
"705615"	493.883067	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+H+K"	39.970434
"1459070"	177.951167	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H+K"	39.970434
"246211"	673.897626	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+ACN+H"	42.033826
"1221838"	357.965726	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+ACN+H"	42.033826
"1208274"	179.486501	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+ACN+2H"	43.041102
"193487"	676.83496	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+2Na-H"	44.97116
"637423"	992.76686	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+2Na-H"	44.97116
"1143113"	360.90306	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2Na-H"	44.97116
"184216"	338.921118	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+2Na"	45.978436
"613567"	496.887068	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+2Na"	45.978436
"1116222"	180.955168	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2Na"	45.978436
"1399870"	120.972537333333	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H+2Na"	46.985712
"1433443"	362.944646	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H+HCOOH"	47.012746
"222774"	343.95414	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+3H2O+2H"	56.04448
"1512660"	376.99669	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+IsoProp+H"	61.06479
"409794"	346.908088	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+Na+K"	61.952376
"778087"	504.874038	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+Na+K"	61.952376
"1676604"	188.942138	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Na+K"	61.952376
"260937"	695.879568	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+ACN+Na"	64.015768
"1238028"	379.947668	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+ACN+Na"	64.015768
"1724734"	379.971193	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+NH4+HCOOH"	64.039293
"1191178"	128.299851333333	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+3Na"	68.967654
"1663984"	384.926588	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Na+HCOOH"	68.994688
"172464"	708.78284	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+2K-H"	76.91904
"608580"	1024.71474	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+2K-H"	76.91904
"1092002"	392.85094	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2K-H"	76.91904
"149912"	354.895058	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"2M+2K"	77.926316
"588377"	512.861008	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"3M+2K"	77.926316
"1071794"	196.929108	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2K"	77.926316
"1103913"	394.865492	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2K+H"	78.933592
"1338472"	394.953107	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+DMSO+H"	79.021207
"1011017"	398.992276	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2ACN+H"	83.060376
"1533516"	399.985908	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+IsoProp+Na+H"	84.054008
"993403"	199.999776	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+2ACN+2H"	84.067652
"1600304"	400.900528	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+K+HCOOH"	84.968628
"1425598"	430.932038	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+H+CF3COOH"	115.000138
"1159168"	220.513051	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+3ACN+2H"	125.094202
"1711636"	447.958585	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+NH4+CF3COOH"	132.026685
"1649111"	452.91398	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+Na+CF3COOH"	136.98208
"1582209"	468.88792	"C13427"	"Pyrithione zinc;Zinc pyrithione"	"(C5H4NOS)2Zn"	"315.9319"	"M+K+CF3COOH"	152.95602
"802733"	1444.6319	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M"	0
"974471"	1425.61351	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-H2O-H"	-19.01839
"65602"	962.080657333333	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M-3H"	-3.021828
"504068"	1443.624624	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M-3H"	-3.021828
"881871"	480.536690666667	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-3H"	-3.021828
"1538"	1443.624624	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M-2H"	-2.014552
"445480"	2165.940574	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M-2H"	-2.014552
"817689"	721.308674	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-2H"	-2.014552
"79504"	2888.256524	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M-H"	-1.007276
"534215"	4332.888424	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M-H"	-1.007276
"907205"	1443.624624	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-H"	-1.007276
"61217"	2905.283071	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M-2H+NH4"	16.019271
"502115"	4349.914971	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M-2H+NH4"	16.019271
"879313"	1460.651171	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-2H+NH4"	16.019271
"46979"	2910.238466	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M-2H+Na"	20.974666
"486653"	4354.870366	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M-2H+Na"	20.974666
"863486"	1465.606566	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-2H+Na"	20.974666
"1633140"	1465.606566	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Na-2H"	20.974666
"108815"	1461.612963	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M-H+Cl"	33.962126
"547648"	2183.928913	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M-H+Cl"	33.962126
"942012"	739.297013	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-H+Cl"	33.962126
"279715"	2924.233202	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+Cl"	34.969402
"666669"	4368.865102	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+Cl"	34.969402
"1280166"	1479.601302	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Cl"	34.969402
"21627"	2926.212406	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M-2H+K"	36.948606
"458996"	4370.844306	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M-2H+K"	36.948606
"836796"	1481.580506	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-2H+K"	36.948606
"1559193"	1481.580506	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+K-2H"	36.948606
"947077"	1489.630094	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-H+HCOOH"	44.998194
"367479"	2934.262001	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+HCOOH-H"	44.998201
"353551"	2948.277651	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+Hac-H"	59.013851
"1501292"	1503.645751	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Hac-H"	59.013851
"965552"	1511.612051	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-H+NaCOOH"	66.980151
"120655"	1479.601302	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+2Cl"	69.938804
"563498"	2201.917252	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+2Cl"	69.938804
"1033391"	757.285352	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2Cl"	69.938804
"1253333"	1523.550785	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Br"	78.918885
"1317609"	1525.606772	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Cl+HCOOH"	80.974872
"1332190"	1547.588729	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Cl+NaCOOH"	102.956829
"922157"	1557.617486	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M-H+CF3COOH"	112.985586
"1298865"	1593.594164	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Cl+CF3COOH"	148.962264
"1373744"	1409.619224	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H-2H2O"	-35.012676
"1398255"	1427.6292	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H-H2O"	-17.0027
"297367"	2890.271076	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+H"	1.007276
"684442"	4334.902976	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+H"	1.007276
"1363342"	1445.639176	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H"	1.007276
"131494"	1445.639176	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+2H"	2.014552
"571056"	2167.955126	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+2H"	2.014552
"1049702"	723.323226	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2H"	2.014552
"213229"	964.095209333333	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+3H"	3.021828
"652788"	1445.639176	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+3H"	3.021828
"1166903"	482.551242666667	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+3H"	3.021828
"425436"	2907.297623	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+NH4"	18.033823
"788254"	4351.929523	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+NH4"	18.033823
"1681501"	1462.665723	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+NH4"	18.033823
"330470"	1454.1524495	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+H+NH4"	19.041099
"723092"	2176.4683995	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+H+NH4"	19.041099
"1479469"	731.8364995	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H+NH4"	19.041099
"394136"	2912.253018	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+Na"	22.989218
"754767"	4356.884918	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+Na"	22.989218
"1602900"	1467.621118	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Na"	22.989218
"316176"	1456.630147	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+H+Na"	23.996494
"708609"	2178.946097	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+H+Na"	23.996494
"1465711"	734.314197	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H+Na"	23.996494
"1061151"	489.878556666667	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2H+Na"	25.00377
"1269392"	1477.665386	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+CH3OH+H"	33.033486
"386873"	2928.226958	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+K"	38.963158
"752978"	4372.858858	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+K"	38.963158
"1555032"	1483.595058	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+K"	38.963158
"312572"	1464.617117	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+H+K"	39.970434
"704632"	2186.933067	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+H+K"	39.970434
"1460273"	742.301167	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H+K"	39.970434
"247414"	2931.297626	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+ACN+H"	42.033826
"1220125"	1486.665726	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+ACN+H"	42.033826
"1208993"	743.836501	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+ACN+2H"	43.041102
"193232"	2934.23496	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+2Na-H"	44.97116
"636440"	4378.86686	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+2Na-H"	44.97116
"1143589"	1489.60306	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2Na-H"	44.97116
"181410"	1467.621118	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+2Na"	45.978436
"614164"	2189.937068	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+2Na"	45.978436
"1115961"	745.305168	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2Na"	45.978436
"1401438"	497.205870666667	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H+2Na"	46.985712
"1435741"	1491.644646	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H+HCOOH"	47.012746
"226166"	1472.65414	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+3H2O+2H"	56.04448
"1515322"	1505.69669	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+IsoProp+H"	61.06479
"413914"	1475.608088	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+Na+K"	61.952376
"773820"	2197.924038	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+Na+K"	61.952376
"1670150"	753.292138	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Na+K"	61.952376
"255578"	2953.279568	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+ACN+Na"	64.015768
"1239231"	1508.647668	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+ACN+Na"	64.015768
"1726664"	1508.671193	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+NH4+HCOOH"	64.039293
"1190557"	504.533184666667	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+3Na"	68.967654
"1661175"	1513.626588	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Na+HCOOH"	68.994688
"170588"	2966.18284	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+2K-H"	76.91904
"608690"	4410.81474	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+2K-H"	76.91904
"1095392"	1521.55094	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2K-H"	76.91904
"150022"	1483.595058	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"2M+2K"	77.926316
"588487"	2205.911008	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"3M+2K"	77.926316
"1071905"	761.279108	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2K"	77.926316
"1102929"	1523.565492	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2K+H"	78.933592
"1337489"	1523.653107	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+DMSO+H"	79.021207
"1010034"	1527.692276	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2ACN+H"	83.060376
"1531440"	1528.685908	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+IsoProp+Na+H"	84.054008
"993513"	764.349776	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+2ACN+2H"	84.067652
"1600778"	1529.600528	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+K+HCOOH"	84.968628
"1425708"	1559.632038	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+H+CF3COOH"	115.000138
"1158185"	784.863051	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+3ACN+2H"	125.094202
"1711382"	1576.658585	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+NH4+CF3COOH"	132.026685
"1647762"	1581.61398	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+Na+CF3COOH"	136.98208
"1582319"	1597.58792	"C13429"	"Meglumine sodium amidotrizoate;Urovision"	"C11H9I3N2O4C7H17NO5C11H8I3N2O4Na"	"1444.6319"	"M+K+CF3COOH"	152.95602
"801785"	600.4179	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M"	0
"974705"	581.39951	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"63169"	399.271324	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"503118"	599.410624	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"881981"	199.132024	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"1648"	599.410624	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"446683"	899.619574	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"817347"	299.201674	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"78921"	1199.828524	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"533973"	1800.246424	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"910238"	599.410624	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"61454"	1216.855071	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"502814"	1817.272971	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"879548"	616.437171	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"47123"	1221.810466	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"486037"	1822.228366	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"862988"	621.392566	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1633858"	621.392566	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"108198"	617.398963	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"547757"	917.607913	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"937625"	317.190013	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"276546"	1235.805202	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"665686"	1836.223102	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1280276"	635.387302	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"18456"	1237.784406	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"460201"	1838.202306	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"838001"	637.366506	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1560031"	637.366506	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"946093"	645.416094	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"366496"	1245.834001	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"353661"	1259.849651	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1504317"	659.431751	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"967848"	667.398051	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"120765"	635.387302	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"562880"	935.596252	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1033503"	335.178352	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1254539"	679.336785	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1314803"	681.392772	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1331207"	703.374729	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"924819"	713.403486	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1298975"	749.380164	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1376041"	565.405224	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1396820"	583.4152	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"296870"	1201.843076	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"682365"	1802.260976	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1357620"	601.425176	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"133791"	601.425176	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"571166"	901.634126	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1050785"	301.216226	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"210059"	401.285876	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"650712"	601.425176	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1168836"	201.146576	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"431015"	1218.869623	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"789823"	1819.287523	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1685425"	618.451723	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"330787"	609.9384495	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"723936"	910.1473995	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1482859"	309.7294995	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"396070"	1223.825018	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"756337"	1824.242918	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1605894"	623.407118	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"315686"	612.416147	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"710176"	912.625097	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1465821"	312.207197	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1062354"	208.47389	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1270596"	633.451386	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"390263"	1239.798958	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"750165"	1840.216858	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1552222"	639.381058	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"308301"	620.403117	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"705715"	920.612067	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1460142"	320.194167	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"249347"	1242.869626	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1221328"	642.451726	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1208373"	321.729501	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"202093"	1245.80696	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"636550"	1846.22486	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1141147"	645.38906	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"183344"	623.407118	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"620352"	923.616068	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1118390"	323.198168	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1405560"	215.801204	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1434393"	647.430646	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"226277"	628.44014	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1512152"	661.48269	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"415118"	631.394088	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"776119"	931.603038	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1674634"	331.185138	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"254594"	1264.851568	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1237521"	664.433668	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1723493"	664.457193	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1188846"	223.128518	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1661290"	669.412588	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"170338"	1277.75484	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"610627"	1878.17274	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1089306"	677.33694	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"150132"	639.381058	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"585317"	939.590008	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1076389"	339.172108	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1101946"	679.351492	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1335731"	679.439107	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1006132"	683.478276	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1524490"	684.471908	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"990333"	342.242776	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1589220"	685.386528	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1417067"	715.418038	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1158295"	362.756051	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1711978"	732.444585	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1647872"	737.39998	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1582429"	753.37392	"C13431"	"9-cis-Neoxanthin"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"801980"	600.4179	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M"	0
"974530"	581.39951	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"65821"	399.271324	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"502916"	599.410624	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"880262"	199.132024	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"1023"	599.410624	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"445700"	899.619574	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"817788"	299.201674	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"79478"	1199.828524	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"533516"	1800.246424	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"911163"	599.410624	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"62744"	1216.855071	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"502591"	1817.272971	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"879624"	616.437171	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"46832"	1221.810466	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"486842"	1822.228366	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"863914"	621.392566	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1633730"	621.392566	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"109284"	617.398963	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"548234"	917.607913	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"939192"	317.190013	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"276656"	1235.805202	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"665795"	1836.223102	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1281479"	635.387302	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"19294"	1237.784406	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"457760"	1838.202306	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"835924"	637.366506	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1557955"	637.366506	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"947296"	645.416094	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"365512"	1245.834001	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"352676"	1259.849651	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1504060"	659.431751	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"969050"	667.398051	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"122699"	635.387302	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"564080"	935.596252	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1035437"	335.178352	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1256105"	679.336785	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1314913"	681.392772	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1324755"	703.374729	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"925293"	713.403486	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1296897"	749.380164	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1377244"	565.405224	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1393649"	583.4152	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"294427"	1201.843076	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"684661"	1802.260976	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1354449"	601.425176	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"133901"	601.425176	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"570181"	901.634126	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1049923"	301.216226	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"210169"	401.285876	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"650822"	601.425176	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1168946"	201.146576	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"433312"	1218.869623	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"795400"	1819.287523	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1684441"	618.451723	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"331990"	609.9384495	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"725505"	910.1473995	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1482969"	309.7294995	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"396180"	1223.825018	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"756083"	1824.242918	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1606004"	623.407118	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"317132"	612.416147	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"708342"	912.625097	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1465931"	312.207197	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1063557"	208.47389	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1270705"	633.451386	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"390373"	1239.798958	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"748088"	1840.216858	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1554036"	639.381058	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"308411"	620.403117	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"705219"	920.612067	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1459765"	320.194167	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"249458"	1242.869626	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1221438"	642.451726	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1206417"	321.729501	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"198923"	1245.80696	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"639576"	1846.22486	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1141257"	645.38906	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"183092"	623.407118	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"619734"	923.616068	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1118500"	323.198168	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1408222"	215.801204	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1435598"	647.430646	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"229667"	628.44014	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1514450"	661.48269	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"416322"	631.394088	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"770877"	931.603038	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1671464"	331.185138	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"253610"	1264.851568	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1239816"	664.433668	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1724696"	664.457193	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1190779"	223.128518	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1663586"	669.412588	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"170447"	1277.75484	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"611830"	1878.17274	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1089416"	677.33694	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"149878"	639.381058	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"585427"	939.590008	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1074312"	339.172108	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1102421"	679.351492	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1335719"	679.439107	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1006603"	683.478276	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1524400"	684.471908	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"990241"	342.242776	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1587140"	685.386528	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1414746"	715.418038	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1159498"	362.756051	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1712657"	732.444585	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1649725"	737.39998	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1582539"	753.37392	"C13433"	"9-cis-Violaxanthin"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"803063"	405.0995	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M"	0
"975499"	386.08111	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-H2O-H"	-19.01839
"63865"	269.059057333333	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M-3H"	-3.021828
"504396"	404.092224	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M-3H"	-3.021828
"880861"	134.025890666667	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-3H"	-3.021828
"1622"	404.092224	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M-2H"	-2.014552
"446903"	606.641974	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M-2H"	-2.014552
"818506"	201.542474	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-2H"	-2.014552
"81414"	809.191724	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M-H"	-1.007276
"533498"	1214.291224	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M-H"	-1.007276
"911111"	404.092224	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-H"	-1.007276
"62573"	826.218271	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M-2H+NH4"	16.019271
"501731"	1231.317771	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M-2H+NH4"	16.019271
"879526"	421.118771	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-2H+NH4"	16.019271
"46700"	831.173666	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M-2H+Na"	20.974666
"486142"	1236.273166	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M-2H+Na"	20.974666
"862727"	426.074166	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-2H+Na"	20.974666
"1632624"	426.074166	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Na-2H"	20.974666
"108057"	422.080563	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M-H+Cl"	33.962126
"548583"	624.630313	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M-H+Cl"	33.962126
"940395"	219.530813	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-H+Cl"	33.962126
"278953"	845.168402	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+Cl"	34.969402
"664812"	1250.267902	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+Cl"	34.969402
"1278310"	440.068902	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Cl"	34.969402
"17945"	847.147606	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M-2H+K"	36.948606
"458233"	1252.247106	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M-2H+K"	36.948606
"836762"	442.048106	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-2H+K"	36.948606
"1558794"	442.048106	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+K-2H"	36.948606
"947403"	450.097694	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-H+HCOOH"	44.998194
"364529"	855.197201	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+HCOOH-H"	44.998201
"349505"	869.212851	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+Hac-H"	59.013851
"1500523"	464.113351	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Hac-H"	59.013851
"966972"	472.079651	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-H+NaCOOH"	66.980151
"122445"	440.068902	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+2Cl"	69.938804
"563825"	642.618652	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+2Cl"	69.938804
"1033719"	237.519152	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2Cl"	69.938804
"1255486"	484.018385	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Br"	78.918885
"1310648"	486.074372	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Cl+HCOOH"	80.974872
"1323772"	508.056329	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Cl+NaCOOH"	102.956829
"919206"	518.085086	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M-H+CF3COOH"	112.985586
"1293727"	554.061764	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Cl+CF3COOH"	148.962264
"1368607"	370.086824	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H-2H2O"	-35.012676
"1392666"	388.0968	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H-H2O"	-17.0027
"293444"	811.206276	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+H"	1.007276
"684771"	1216.305776	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+H"	1.007276
"1357839"	406.106776	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H"	1.007276
"131826"	406.106776	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+2H"	2.014552
"570293"	608.656526	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+2H"	2.014552
"1046753"	203.557026	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2H"	2.014552
"212467"	271.073609333333	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+3H"	3.021828
"647653"	406.106776	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+3H"	3.021828
"1163589"	136.040442666667	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+3H"	3.021828
"427956"	828.232823	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+NH4"	18.033823
"786761"	1233.332323	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+NH4"	18.033823
"1681430"	423.133323	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+NH4"	18.033823
"330154"	414.6200495	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+H+NH4"	19.041099
"724886"	617.1697995	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+H+NH4"	19.041099
"1479069"	212.0702995	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H+NH4"	19.041099
"394831"	833.188218	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+Na"	22.989218
"757289"	1238.287718	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+Na"	22.989218
"1606480"	428.088718	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Na"	22.989218
"316153"	417.097747	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+H+Na"	23.996494
"708210"	619.647497	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+H+Na"	23.996494
"1469323"	214.547997	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H+Na"	23.996494
"1063667"	143.367756666667	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2H+Na"	25.00377
"1269723"	438.132986	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+CH3OH+H"	33.033486
"390851"	849.162158	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+K"	38.963158
"750385"	1254.261658	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+K"	38.963158
"1551348"	444.062658	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+K"	38.963158
"313995"	425.084717	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+H+K"	39.970434
"706416"	627.634467	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+H+K"	39.970434
"1460367"	222.534967	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H+K"	39.970434
"245560"	852.232826	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+ACN+H"	42.033826
"1223860"	447.133326	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+ACN+H"	42.033826
"1208837"	224.070301	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+ACN+2H"	43.041102
"200126"	855.17016	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+2Na-H"	44.97116
"640781"	1260.26966	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+2Na-H"	44.97116
"1142098"	450.07066	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2Na-H"	44.97116
"186118"	428.088718	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+2Na"	45.978436
"616930"	630.638468	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+2Na"	45.978436
"1120435"	225.538968	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2Na"	45.978436
"1402499"	150.695070666667	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H+2Na"	46.985712
"1433521"	452.112246	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H+HCOOH"	47.012746
"226498"	433.12174	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+3H2O+2H"	56.04448
"1518932"	466.16429	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+IsoProp+H"	61.06479
"416431"	436.075688	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+Na+K"	61.952376
"771960"	638.625438	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+Na+K"	61.952376
"1671574"	233.525938	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Na+K"	61.952376
"254813"	874.214768	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+ACN+Na"	64.015768
"1236650"	469.115268	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+ACN+Na"	64.015768
"1723714"	469.138793	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+NH4+HCOOH"	64.039293
"1191985"	158.022384666667	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+3Na"	68.967654
"1661514"	474.094188	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Na+HCOOH"	68.994688
"169830"	887.11804	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+2K-H"	76.91904
"607201"	1292.21754	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+2K-H"	76.91904
"1092442"	482.01854	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2K-H"	76.91904
"153270"	444.062658	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"2M+2K"	77.926316
"588818"	646.612408	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"3M+2K"	77.926316
"1077703"	241.512908	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2K"	77.926316
"1100708"	484.033092	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2K+H"	78.933592
"1338549"	484.120707	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+DMSO+H"	79.021207
"1005861"	488.159876	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2ACN+H"	83.060376
"1524505"	489.153508	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+IsoProp+Na+H"	84.054008
"990548"	244.583576	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+2ACN+2H"	84.067652
"1587601"	490.068128	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+K+HCOOH"	84.968628
"1416194"	520.099638	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+H+CF3COOH"	115.000138
"1150859"	265.096851	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+3ACN+2H"	125.094202
"1699313"	537.126185	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+NH4+CF3COOH"	132.026685
"1649551"	542.08158	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+Na+CF3COOH"	136.98208
"1582649"	558.05552	"C13440"	"Cefaloglycin;Cephaloglycin anhydrous"	"C18H19N3O6S"	"405.0995"	"M+K+CF3COOH"	152.95602
"802321"	541.211	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M"	0
"975242"	522.19261	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-H2O-H"	-19.01839
"64212"	359.800057333333	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M-3H"	-3.021828
"505351"	540.203724	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M-3H"	-3.021828
"882063"	179.396390666667	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-3H"	-3.021828
"4523"	540.203724	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M-2H"	-2.014552
"449200"	810.809224	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M-2H"	-2.014552
"818373"	269.598224	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-2H"	-2.014552
"80308"	1081.414724	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M-H"	-1.007276
"533003"	1622.625724	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M-H"	-1.007276
"911344"	540.203724	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-H"	-1.007276
"62566"	1098.441271	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M-2H+NH4"	16.019271
"501335"	1639.652271	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M-2H+NH4"	16.019271
"879853"	557.230271	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-2H+NH4"	16.019271
"46682"	1103.396666	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M-2H+Na"	20.974666
"486863"	1644.607666	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M-2H+Na"	20.974666
"864058"	562.185666	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-2H+Na"	20.974666
"1634144"	562.185666	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Na-2H"	20.974666
"109262"	558.192063	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M-H+Cl"	33.962126
"549788"	828.797563	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M-H+Cl"	33.962126
"938318"	287.586563	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-H+Cl"	33.962126
"277970"	1117.391402	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+Cl"	34.969402
"667108"	1658.602402	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+Cl"	34.969402
"1276230"	576.180402	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Cl"	34.969402
"17812"	1119.370606	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M-2H+K"	36.948606
"458706"	1660.581606	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M-2H+K"	36.948606
"836509"	578.159606	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-2H+K"	36.948606
"1558540"	578.159606	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+K-2H"	36.948606
"946422"	586.209194	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-H+HCOOH"	44.998194
"365003"	1127.420201	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+HCOOH-H"	44.998201
"349250"	1141.435851	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+Hac-H"	59.013851
"1501727"	600.224851	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Hac-H"	59.013851
"965989"	608.191151	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-H+NaCOOH"	66.980151
"124013"	576.180402	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+2Cl"	69.938804
"563571"	846.785902	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+2Cl"	69.938804
"1034925"	305.574902	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2Cl"	69.938804
"1255597"	620.129885	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Br"	78.918885
"1310758"	622.185872	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Cl+HCOOH"	80.974872
"1324974"	644.167829	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Cl+NaCOOH"	102.956829
"917128"	654.196586	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M-H+CF3COOH"	112.985586
"1291650"	690.173264	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Cl+CF3COOH"	148.962264
"1367989"	506.198324	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H-2H2O"	-35.012676
"1393869"	524.2083	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H-H2O"	-17.0027
"292461"	1083.429276	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+H"	1.007276
"681601"	1624.640276	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+H"	1.007276
"1361230"	542.218276	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H"	1.007276
"135215"	542.218276	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+2H"	2.014552
"571496"	812.823776	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+2H"	2.014552
"1046862"	271.612776	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2H"	2.014552
"211848"	361.814609333333	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+3H"	3.021828
"647034"	542.218276	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+3H"	3.021828
"1164792"	181.410942666667	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+3H"	3.021828
"427701"	1100.455823	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+NH4"	18.033823
"786303"	1641.666823	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+NH4"	18.033823
"1681621"	559.244823	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+NH4"	18.033823
"330259"	550.7315495	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+H+NH4"	19.041099
"724024"	821.3370495	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+H+NH4"	19.041099
"1478450"	280.1260495	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H+NH4"	19.041099
"393849"	1105.411218	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+Na"	22.989218
"757033"	1646.622218	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+Na"	22.989218
"1606591"	564.200218	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Na"	22.989218
"316627"	553.209247	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+H+Na"	23.996494
"707954"	823.814747	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+H+Na"	23.996494
"1470526"	282.603747	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H+Na"	23.996494
"1062682"	188.738256666667	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2H+Na"	25.00377
"1268740"	574.244486	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+CH3OH+H"	33.033486
"390596"	1121.385158	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+K"	38.963158
"746124"	1662.596158	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+K"	38.963158
"1549271"	580.174158	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+K"	38.963158
"313377"	561.196217	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+H+K"	39.970434
"706162"	831.801717	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+H+K"	39.970434
"1461083"	290.590717	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H+K"	39.970434
"249315"	1124.455826	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+ACN+H"	42.033826
"1225063"	583.244826	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+ACN+H"	42.033826
"1209068"	292.126051	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+ACN+2H"	43.041102
"199872"	1127.39316	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+2Na-H"	44.97116
"640891"	1668.60416	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+2Na-H"	44.97116
"1141479"	586.18216	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2Na-H"	44.97116
"186228"	564.200218	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+2Na"	45.978436
"616676"	834.805718	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+2Na"	45.978436
"1117627"	293.594718	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2Na"	45.978436
"1406983"	196.065570666667	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H+2Na"	46.985712
"1439098"	588.223746	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H+HCOOH"	47.012746
"225514"	569.23324	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+3H2O+2H"	56.04448
"1515762"	602.27579	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+IsoProp+H"	61.06479
"416541"	572.187188	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+Na+K"	61.952376
"772434"	842.792688	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+Na+K"	61.952376
"1671684"	301.581688	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Na+K"	61.952376
"252613"	1146.437768	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+ACN+Na"	64.015768
"1237488"	605.226768	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+ACN+Na"	64.015768
"1724553"	605.250293	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+NH4+HCOOH"	64.039293
"1191728"	203.392884666667	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+3Na"	68.967654
"1662716"	610.205688	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Na+HCOOH"	68.994688
"168846"	1159.34104	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+2K-H"	76.91904
"611321"	1700.55204	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+2K-H"	76.91904
"1094011"	618.13004	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2K-H"	76.91904
"150098"	580.174158	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"2M+2K"	77.926316
"587835"	850.779658	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"3M+2K"	77.926316
"1080000"	309.568658	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2K"	77.926316
"1101059"	620.144592	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2K+H"	78.933592
"1340847"	620.232207	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+DMSO+H"	79.021207
"1006945"	624.271376	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2ACN+H"	83.060376
"1526397"	625.265008	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+IsoProp+Na+H"	84.054008
"991145"	312.639326	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+2ACN+2H"	84.067652
"1587836"	626.179628	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+K+HCOOH"	84.968628
"1416304"	656.211138	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+H+CF3COOH"	115.000138
"1153156"	333.152601	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+3ACN+2H"	125.094202
"1699423"	673.237685	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+NH4+CF3COOH"	132.026685
"1649420"	678.19308	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+Na+CF3COOH"	136.98208
"1582759"	694.16702	"C13441"	"Dimethylaminoethyl reserpilinate dihydrochloride;Paratensiol"	"C26H35N3O52HCl"	"541.211"	"M+K+CF3COOH"	152.95602
"802917"	376.2038	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M"	0
"977905"	357.18541	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-H2O-H"	-19.01839
"64325"	249.795257333333	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M-3H"	-3.021828
"504613"	375.196524	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M-3H"	-3.021828
"882052"	124.393990666667	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-3H"	-3.021828
"6455"	375.196524	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M-2H"	-2.014552
"442018"	563.298424	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M-2H"	-2.014552
"818725"	187.094624	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-2H"	-2.014552
"81270"	751.400324	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M-H"	-1.007276
"533842"	1127.604124	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M-H"	-1.007276
"911211"	375.196524	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-H"	-1.007276
"62664"	768.426871	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M-2H+NH4"	16.019271
"501446"	1144.630671	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M-2H+NH4"	16.019271
"875112"	392.223071	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-2H+NH4"	16.019271
"38638"	773.382266	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M-2H+Na"	20.974666
"477104"	1149.586066	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M-2H+Na"	20.974666
"864138"	397.178466	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-2H+Na"	20.974666
"1633075"	397.178466	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Na-2H"	20.974666
"109650"	393.184863	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M-H+Cl"	33.962126
"549493"	581.286763	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M-H+Cl"	33.962126
"939522"	205.082963	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-H+Cl"	33.962126
"279173"	787.377002	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+Cl"	34.969402
"668312"	1163.580802	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+Cl"	34.969402
"1279622"	411.173202	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Cl"	34.969402
"19991"	789.356206	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M-2H+K"	36.948606
"460644"	1165.560006	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M-2H+K"	36.948606
"835165"	413.152406	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-2H+K"	36.948606
"1557920"	413.152406	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+K-2H"	36.948606
"944586"	421.201994	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-H+HCOOH"	44.998194
"362563"	797.405801	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+HCOOH-H"	44.998201
"351912"	811.421451	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+Hac-H"	59.013851
"1501837"	435.217651	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Hac-H"	59.013851
"969379"	443.183951	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-H+NaCOOH"	66.980151
"122662"	411.173202	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+2Cl"	69.938804
"562589"	599.275102	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+2Cl"	69.938804
"1033211"	223.071302	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2Cl"	69.938804
"1254614"	455.122685	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Br"	78.918885
"1314150"	457.178672	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Cl+HCOOH"	80.974872
"1321805"	479.160629	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Cl+NaCOOH"	102.956829
"917239"	489.189386	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M-H+CF3COOH"	112.985586
"1292853"	525.166064	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Cl+CF3COOH"	148.962264
"1369921"	341.191124	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H-2H2O"	-35.012676
"1393979"	359.2011	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H-H2O"	-17.0027
"290384"	753.414876	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+H"	1.007276
"681711"	1129.618676	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+H"	1.007276
"1361340"	377.211076	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H"	1.007276
"137511"	377.211076	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+2H"	2.014552
"570510"	565.312976	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+2H"	2.014552
"1044777"	189.109176	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2H"	2.014552
"209766"	251.809809333333	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+3H"	3.021828
"652245"	377.211076	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+3H"	3.021828
"1165997"	126.408542666667	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+3H"	3.021828
"426355"	770.441423	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+NH4"	18.033823
"785675"	1146.645223	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+NH4"	18.033823
"1683678"	394.237623	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+NH4"	18.033823
"330047"	385.7243495	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+H+NH4"	19.041099
"723646"	573.8262495	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+H+NH4"	19.041099
"1477500"	197.6224495	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H+NH4"	19.041099
"392859"	775.396818	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+Na"	22.989218
"756778"	1151.600618	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+Na"	22.989218
"1605605"	399.193018	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Na"	22.989218
"317099"	388.202047	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+H+Na"	23.996494
"708428"	576.303947	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+H+Na"	23.996494
"1468450"	200.100147	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H+Na"	23.996494
"1059512"	133.735856666667	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2H+Na"	25.00377
"1268850"	409.237286	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+CH3OH+H"	33.033486
"390706"	791.370758	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+K"	38.963158
"746234"	1167.574558	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+K"	38.963158
"1548288"	415.166958	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+K"	38.963158
"312028"	396.189017	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+H+K"	39.970434
"704449"	584.290917	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+H+K"	39.970434
"1457539"	208.087117	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H+K"	39.970434
"250642"	794.441426	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+ACN+H"	42.033826
"1223956"	418.237626	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+ACN+H"	42.033826
"1208934"	209.622451	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+ACN+2H"	43.041102
"200711"	797.37876	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+2Na-H"	44.97116
"642460"	1173.58256	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+2Na-H"	44.97116
"1143409"	421.17496	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2Na-H"	44.97116
"185974"	399.193018	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+2Na"	45.978436
"616786"	587.294918	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+2Na"	45.978436
"1119194"	211.091118	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2Na"	45.978436
"1406000"	141.063170666667	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H+2Na"	46.985712
"1434834"	423.216546	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H+HCOOH"	47.012746
"226717"	404.22604	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+3H2O+2H"	56.04448
"1520976"	437.26859	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+IsoProp+H"	61.06479
"418838"	407.179988	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+Na+K"	61.952376
"772908"	595.281888	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+Na+K"	61.952376
"1670701"	219.078088	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Na+K"	61.952376
"254304"	816.423368	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+ACN+Na"	64.015768
"1239782"	440.219568	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+ACN+Na"	64.015768
"1726122"	440.243093	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+NH4+HCOOH"	64.039293
"1191838"	148.390484666667	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+3Na"	68.967654
"1663555"	445.198488	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Na+HCOOH"	68.994688
"168956"	829.32664	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+2K-H"	76.91904
"610702"	1205.53044	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+2K-H"	76.91904
"1094485"	453.12284	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2K-H"	76.91904
"151302"	415.166958	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"2M+2K"	77.926316
"592321"	603.268858	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"3M+2K"	77.926316
"1075737"	227.065058	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2K"	77.926316
"1101537"	455.137392	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2K+H"	78.933592
"1338770"	455.225007	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+DMSO+H"	79.021207
"1007422"	459.264176	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2ACN+H"	83.060376
"1524567"	460.257808	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+IsoProp+Na+H"	84.054008
"990326"	230.135726	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+2ACN+2H"	84.067652
"1587948"	461.172428	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+K+HCOOH"	84.968628
"1416414"	491.203938	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+H+CF3COOH"	115.000138
"1153266"	250.649001	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+3ACN+2H"	125.094202
"1699533"	508.230485	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+NH4+CF3COOH"	132.026685
"1649610"	513.18588	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+Na+CF3COOH"	136.98208
"1582869"	529.15982	"C13444"	"Estradiol benzoate;17-beta-Estradiol 3-benzoate"	"C25H28O3"	"376.2038"	"M+K+CF3COOH"	152.95602
"801525"	1096.5719	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M"	0
"975099"	1077.55351	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-H2O-H"	-19.01839
"63114"	730.040657333333	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M-3H"	-3.021828
"503632"	1095.564624	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M-3H"	-3.021828
"882529"	364.516690666667	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-3H"	-3.021828
"735"	1095.564624	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M-2H"	-2.014552
"439976"	1643.850574	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M-2H"	-2.014552
"817079"	547.278674	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-2H"	-2.014552
"78989"	2192.136524	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M-H"	-1.007276
"533345"	3288.708424	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M-H"	-1.007276
"911312"	1095.564624	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-H"	-1.007276
"62363"	2209.163071	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M-2H+NH4"	16.019271
"500703"	3305.734971	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M-2H+NH4"	16.019271
"874858"	1112.591171	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-2H+NH4"	16.019271
"37655"	2214.118466	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M-2H+Na"	20.974666
"475026"	3310.690366	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M-2H+Na"	20.974666
"851734"	1117.546566	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-2H+Na"	20.974666
"1628930"	1117.546566	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Na-2H"	20.974666
"108745"	1113.552963	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M-H+Cl"	33.962126
"546849"	1661.838913	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M-H+Cl"	33.962126
"941090"	565.267013	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-H+Cl"	33.962126
"277095"	2228.113202	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+Cl"	34.969402
"665141"	3324.685102	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+Cl"	34.969402
"1276452"	1131.541302	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Cl"	34.969402
"16820"	2230.092406	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M-2H+K"	36.948606
"457473"	3326.664306	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M-2H+K"	36.948606
"835275"	1133.520506	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-2H+K"	36.948606
"1556088"	1133.520506	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+K-2H"	36.948606
"944458"	1141.570094	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-H+HCOOH"	44.998194
"362308"	2238.142001	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+HCOOH-H"	44.998201
"352022"	2252.157651	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+Hac-H"	59.013851
"1498667"	1155.585751	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Hac-H"	59.013851
"966938"	1163.552051	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-H+NaCOOH"	66.980151
"122043"	1131.541302	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+2Cl"	69.938804
"560144"	1679.827252	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+2Cl"	69.938804
"1031134"	583.255352	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2Cl"	69.938804
"1253993"	1175.490785	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Br"	78.918885
"1313167"	1177.546772	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Cl+HCOOH"	80.974872
"1324102"	1199.528729	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Cl+NaCOOH"	102.956829
"917349"	1209.557486	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M-H+CF3COOH"	112.985586
"1292963"	1245.534164	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Cl+CF3COOH"	148.962264
"1369666"	1061.559224	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H-2H2O"	-35.012676
"1390809"	1079.5692	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H-H2O"	-17.0027
"290494"	2194.151076	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+H"	1.007276
"681821"	3290.722976	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+H"	1.007276
"1360357"	1097.579176	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H"	1.007276
"134342"	1097.579176	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+2H"	2.014552
"572809"	1645.865126	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+2H"	2.014552
"1044887"	549.293226	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2H"	2.014552
"209508"	732.055209333333	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+3H"	3.021828
"646882"	1097.579176	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+3H"	3.021828
"1167199"	366.531242666667	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+3H"	3.021828
"428285"	2211.177623	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+NH4"	18.033823
"785986"	3307.749523	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+NH4"	18.033823
"1681720"	1114.605723	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+NH4"	18.033823
"330362"	1106.0924495	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+H+NH4"	19.041099
"722903"	1654.3783995	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+H+NH4"	19.041099
"1477082"	557.8064995	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H+NH4"	19.041099
"393821"	2216.133018	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+Na"	22.989218
"755064"	3312.704918	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+Na"	22.989218
"1604256"	1119.561118	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Na"	22.989218
"315508"	1108.570147	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+H+Na"	23.996494
"708535"	1656.856097	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+H+Na"	23.996494
"1462721"	560.284197	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H+Na"	23.996494
"1060715"	373.858556666667	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2H+Na"	25.00377
"1268596"	1129.605386	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+CH3OH+H"	33.033486
"390088"	2232.106958	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+K"	38.963158
"746344"	3328.678858	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+K"	38.963158
"1551678"	1135.535058	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+K"	38.963158
"312502"	1116.557117	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+H+K"	39.970434
"703830"	1664.843067	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+H+K"	39.970434
"1458379"	568.271167	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H+K"	39.970434
"250954"	2235.177626	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+ACN+H"	42.033826
"1224431"	1138.605726	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+ACN+H"	42.033826
"1207222"	569.806501	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+ACN+2H"	43.041102
"201186"	2238.11496	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+2Na-H"	44.97116
"641111"	3334.68686	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+2Na-H"	44.97116
"1143884"	1141.54306	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2Na-H"	44.97116
"186814"	1119.561118	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+2Na"	45.978436
"616896"	1667.847068	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+2Na"	45.978436
"1118214"	571.275168	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2Na"	45.978436
"1406110"	381.185870666667	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H+2Na"	46.985712
"1437131"	1143.584646	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H+HCOOH"	47.012746
"226827"	1124.59414	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+3H2O+2H"	56.04448
"1519262"	1157.63669	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+IsoProp+H"	61.06479
"418948"	1127.548088	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+Na+K"	61.952376
"773382"	1675.834038	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+Na+K"	61.952376
"1668624"	579.262138	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Na+K"	61.952376
"252957"	2257.159568	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+ACN+Na"	64.015768
"1232230"	1160.587668	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+ACN+Na"	64.015768
"1727323"	1160.611193	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+NH4+HCOOH"	64.039293
"1191217"	388.513184666667	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+3Na"	68.967654
"1663301"	1165.566588	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Na+HCOOH"	68.994688
"167972"	2270.06284	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+2K-H"	76.91904
"611541"	3366.63474	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+2K-H"	76.91904
"1094231"	1173.49094	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2K-H"	76.91904
"151412"	1135.535058	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"2M+2K"	77.926316
"592067"	1683.821008	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"3M+2K"	77.926316
"1078763"	587.249108	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2K"	77.926316
"1101526"	1175.505492	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2K+H"	78.933592
"1339974"	1175.593107	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+DMSO+H"	79.021207
"1007411"	1179.632276	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2ACN+H"	83.060376
"1525045"	1180.625908	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+IsoProp+Na+H"	84.054008
"993075"	590.319776	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+2ACN+2H"	84.067652
"1588062"	1181.540528	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+K+HCOOH"	84.968628
"1415307"	1211.572038	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+H+CF3COOH"	115.000138
"1150460"	610.833051	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+3ACN+2H"	125.094202
"1700007"	1228.598585	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+NH4+CF3COOH"	132.026685
"1649599"	1233.55398	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+Na+CF3COOH"	136.98208
"1582979"	1249.52792	"C13450"	"Trichomycin A"	"C58H84N2O18"	"1096.5719"	"M+K+CF3COOH"	152.95602
"803867"	1096.5719	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M"	0
"981408"	1077.55351	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-H2O-H"	-19.01839
"66370"	730.040657333333	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M-3H"	-3.021828
"511397"	1095.564624	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M-3H"	-3.021828
"883732"	364.516690666667	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-3H"	-3.021828
"2307"	1095.564624	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M-2H"	-2.014552
"444060"	1643.850574	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M-2H"	-2.014552
"818580"	547.278674	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-2H"	-2.014552
"84042"	2192.136524	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M-H"	-1.007276
"533212"	3288.708424	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M-H"	-1.007276
"911253"	1095.564624	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-H"	-1.007276
"62111"	2209.163071	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M-2H+NH4"	16.019271
"502517"	3305.734971	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M-2H+NH4"	16.019271
"875333"	1112.591171	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-2H+NH4"	16.019271
"41047"	2214.118466	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M-2H+Na"	20.974666
"483520"	3310.690366	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M-2H+Na"	20.974666
"860958"	1117.546566	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-2H+Na"	20.974666
"1630134"	1117.546566	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Na-2H"	20.974666
"109099"	1113.552963	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M-H+Cl"	33.962126
"548414"	1661.838913	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M-H+Cl"	33.962126
"939741"	565.267013	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-H+Cl"	33.962126
"276110"	2228.113202	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+Cl"	34.969402
"664159"	3324.685102	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+Cl"	34.969402
"1277654"	1131.541302	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Cl"	34.969402
"21306"	2230.092406	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M-2H+K"	36.948606
"461957"	3326.664306	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M-2H+K"	36.948606
"838665"	1133.520506	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-2H+K"	36.948606
"1559966"	1133.520506	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+K-2H"	36.948606
"943840"	1141.570094	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-H+HCOOH"	44.998194
"368251"	2238.142001	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+HCOOH-H"	44.998201
"351041"	2252.157651	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+Hac-H"	59.013851
"1496592"	1155.585751	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Hac-H"	59.013851
"969238"	1163.552051	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-H+NaCOOH"	66.980151
"118146"	1131.541302	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+2Cl"	69.938804
"563538"	1679.827252	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+2Cl"	69.938804
"1036593"	583.255352	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2Cl"	69.938804
"1256867"	1175.490785	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Br"	78.918885
"1315463"	1177.546772	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Cl+HCOOH"	80.974872
"1325304"	1199.528729	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Cl+NaCOOH"	102.956829
"917459"	1209.557486	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M-H+CF3COOH"	112.985586
"1295260"	1245.534164	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Cl+CF3COOH"	148.962264
"1371235"	1061.559224	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H-2H2O"	-35.012676
"1390920"	1079.5692	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H-H2O"	-17.0027
"288418"	2194.151076	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+H"	1.007276
"678652"	3290.722976	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+H"	1.007276
"1355001"	1097.579176	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H"	1.007276
"137734"	1097.579176	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+2H"	2.014552
"577294"	1645.865126	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+2H"	2.014552
"1049372"	549.293226	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2H"	2.014552
"210713"	732.055209333333	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+3H"	3.021828
"650274"	1097.579176	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+3H"	3.021828
"1167309"	366.531242666667	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+3H"	3.021828
"428395"	2211.177623	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+NH4"	18.033823
"787569"	3307.749523	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+NH4"	18.033823
"1682437"	1114.605723	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+NH4"	18.033823
"331081"	1106.0924495	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+H+NH4"	19.041099
"724232"	1654.3783995	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+H+NH4"	19.041099
"1477925"	557.8064995	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H+NH4"	19.041099
"394904"	2216.133018	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+Na"	22.989218
"758823"	3312.704918	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+Na"	22.989218
"1605580"	1119.561118	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Na"	22.989218
"316961"	1108.570147	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+H+Na"	23.996494
"709381"	1656.856097	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+H+Na"	23.996494
"1464294"	560.284197	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H+Na"	23.996494
"1061918"	373.858556666667	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2H+Na"	25.00377
"1271255"	1129.605386	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+CH3OH+H"	33.033486
"389467"	2232.106958	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+K"	38.963158
"749732"	3328.678858	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+K"	38.963158
"1551424"	1135.535058	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+K"	38.963158
"314161"	1116.557117	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+H+K"	39.970434
"706962"	1664.843067	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+H+K"	39.970434
"1461167"	568.271167	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H+K"	39.970434
"251239"	2235.177626	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+ACN+H"	42.033826
"1224057"	1138.605726	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+ACN+H"	42.033826
"1207332"	569.806501	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+ACN+2H"	43.041102
"201295"	2238.11496	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+2Na-H"	44.97116
"642557"	3334.68686	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+2Na-H"	44.97116
"1142904"	1141.54306	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2Na-H"	44.97116
"186558"	1119.561118	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+2Na"	45.978436
"619193"	1667.847068	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+2Na"	45.978436
"1120511"	571.275168	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2Na"	45.978436
"1407315"	381.185870666667	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H+2Na"	46.985712
"1436151"	1143.584646	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H+HCOOH"	47.012746
"229127"	1124.59414	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+3H2O+2H"	56.04448
"1519377"	1157.63669	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+IsoProp+H"	61.06479
"415782"	1127.548088	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+Na+K"	61.952376
"780792"	1675.834038	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+Na+K"	61.952376
"1676395"	579.262138	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Na+K"	61.952376
"263277"	2257.159568	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+ACN+Na"	64.015768
"1232340"	1160.587668	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+ACN+Na"	64.015768
"1727317"	1160.611193	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+NH4+HCOOH"	64.039293
"1187323"	388.513184666667	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+3Na"	68.967654
"1661953"	1165.566588	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Na+HCOOH"	68.994688
"169908"	2270.06284	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+2K-H"	76.91904
"609834"	3366.63474	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+2K-H"	76.91904
"1097260"	1173.49094	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2K-H"	76.91904
"154441"	1135.535058	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"2M+2K"	77.926316
"594002"	1683.821008	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"3M+2K"	77.926316
"1082523"	587.249108	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2K"	77.926316
"1109171"	1175.505492	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2K+H"	78.933592
"1343731"	1175.593107	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+DMSO+H"	79.021207
"1008615"	1179.632276	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2ACN+H"	83.060376
"1527834"	1180.625908	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+IsoProp+Na+H"	84.054008
"994280"	590.319776	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+2ACN+2H"	84.067652
"1590971"	1181.540528	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+K+HCOOH"	84.968628
"1418819"	1211.572038	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+H+CF3COOH"	115.000138
"1152385"	610.833051	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+3ACN+2H"	125.094202
"1699024"	1228.598585	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+NH4+CF3COOH"	132.026685
"1634675"	1233.55398	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+Na+CF3COOH"	136.98208
"1579808"	1249.52792	"C13451"	"Trichomycin B"	"C58H84N2O18"	"1096.5719"	"M+K+CF3COOH"	152.95602
"802883"	1700.173	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M"	0
"975685"	1681.15461	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-H2O-H"	-19.01839
"64045"	1132.44139066667	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M-3H"	-3.021828
"504579"	1699.165724	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M-3H"	-3.021828
"881777"	565.717057333333	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-3H"	-3.021828
"2418"	1699.165724	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M-2H"	-2.014552
"440890"	2549.252224	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M-2H"	-2.014552
"817715"	849.079224	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-2H"	-2.014552
"81599"	3399.338724	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M-H"	-1.007276
"532474"	5099.511724	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M-H"	-1.007276
"911215"	1699.165724	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-H"	-1.007276
"61738"	3416.365271	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M-2H+NH4"	16.019271
"501535"	5116.538271	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M-2H+NH4"	16.019271
"874350"	1716.192271	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-2H+NH4"	16.019271
"41157"	3421.320666	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M-2H+Na"	20.974666
"483994"	5121.493666	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M-2H+Na"	20.974666
"861432"	1721.147666	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-2H+Na"	20.974666
"1630973"	1721.147666	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Na-2H"	20.974666
"108481"	1717.154063	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M-H+Cl"	33.962126
"545244"	2567.240563	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M-H+Cl"	33.962126
"939853"	867.067563	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-H+Cl"	33.962126
"276220"	3435.315402	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+Cl"	34.969402
"667549"	5135.488402	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+Cl"	34.969402
"1274485"	1735.142402	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Cl"	34.969402
"24696"	3437.294606	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M-2H+K"	36.948606
"456602"	5137.467606	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M-2H+K"	36.948606
"834403"	1737.121606	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-2H+K"	36.948606
"1560077"	1737.121606	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+K-2H"	36.948606
"946866"	1745.171194	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-H+HCOOH"	44.998194
"366175"	3445.344201	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+HCOOH-H"	44.998201
"351151"	3459.359851	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+Hac-H"	59.013851
"1495609"	1759.186851	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Hac-H"	59.013851
"966432"	1767.153151	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-H+NaCOOH"	66.980151
"118620"	1735.142402	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+2Cl"	69.938804
"564619"	2585.228902	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+2Cl"	69.938804
"1036094"	885.055902	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2Cl"	69.938804
"1256733"	1779.091885	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Br"	78.918885
"1310105"	1781.147872	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Cl+HCOOH"	80.974872
"1325414"	1803.129829	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Cl+NaCOOH"	102.956829
"915381"	1813.158586	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M-H+CF3COOH"	112.985586
"1290995"	1849.135264	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Cl+CF3COOH"	148.962264
"1371709"	1665.160324	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H-2H2O"	-35.012676
"1391030"	1683.1703	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H-H2O"	-17.0027
"288528"	3401.353276	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+H"	1.007276
"678762"	5101.526276	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+H"	1.007276
"1355475"	1701.180276	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H"	1.007276
"140030"	1701.180276	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+2H"	2.014552
"577404"	2551.266776	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+2H"	2.014552
"1049482"	851.093776	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2H"	2.014552
"208636"	1134.45594266667	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+3H"	3.021828
"649290"	1701.180276	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+3H"	3.021828
"1165959"	567.731609333333	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+3H"	3.021828
"425826"	3418.379823	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+NH4"	18.033823
"786941"	5118.552823	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+NH4"	18.033823
"1681934"	1718.206823	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+NH4"	18.033823
"330336"	1709.6935495	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+H+NH4"	19.041099
"722956"	2559.7800495	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+H+NH4"	19.041099
"1477547"	859.6070495	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H+NH4"	19.041099
"394650"	3423.335218	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+Na"	22.989218
"756013"	5123.508218	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+Na"	22.989218
"1604476"	1723.162218	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Na"	22.989218
"316341"	1712.171247	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+H+Na"	23.996494
"710219"	2562.257747	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+H+Na"	23.996494
"1463307"	862.084747	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H+Na"	23.996494
"1060935"	575.058923333333	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2H+Na"	25.00377
"1264800"	1733.206486	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+CH3OH+H"	33.033486
"386659"	3439.309158	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+K"	38.963158
"747655"	5139.482158	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+K"	38.963158
"1550805"	1739.136158	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+K"	38.963158
"314149"	1720.158217	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+H+K"	39.970434
"706775"	2570.244717	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+H+K"	39.970434
"1460792"	870.071717	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H+K"	39.970434
"251185"	3442.379826	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+ACN+H"	42.033826
"1225017"	1742.206826	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+ACN+H"	42.033826
"1207320"	871.607051	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+ACN+2H"	43.041102
"201404"	3445.31716	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+2Na-H"	44.97116
"641572"	5145.49016	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+2Na-H"	44.97116
"1140826"	1745.14416	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2Na-H"	44.97116
"185209"	1723.162218	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+2Na"	45.978436
"619303"	2573.248718	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+2Na"	45.978436
"1123901"	873.075718	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2Na"	45.978436
"1407425"	582.386237333333	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H+2Na"	46.985712
"1436260"	1747.185746	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H+HCOOH"	47.012746
"228144"	1728.19524	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+3H2O+2H"	56.04448
"1520580"	1761.23779	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+IsoProp+H"	61.06479
"415892"	1731.149188	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+Na+K"	61.952376
"780902"	2581.235688	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+Na+K"	61.952376
"1677599"	881.062688	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Na+K"	61.952376
"263751"	3464.361768	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+ACN+Na"	64.015768
"1233543"	1764.188768	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+ACN+Na"	64.015768
"1727550"	1764.212293	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+NH4+HCOOH"	64.039293
"1189256"	589.713551333333	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+3Na"	68.967654
"1662063"	1769.167688	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Na+HCOOH"	68.994688
"168924"	3477.26504	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+2K-H"	76.91904
"611765"	5177.43804	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+2K-H"	76.91904
"1095911"	1777.09204	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2K-H"	76.91904
"154915"	1739.136158	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"2M+2K"	77.926316
"595327"	2589.222658	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"3M+2K"	77.926316
"1082632"	889.049658	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2K"	77.926316
"1108186"	1779.106592	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2K+H"	78.933592
"1341289"	1779.194207	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+DMSO+H"	79.021207
"1008725"	1783.233376	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2ACN+H"	83.060376
"1529037"	1784.227008	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+IsoProp+Na+H"	84.054008
"993297"	892.120326	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+2ACN+2H"	84.067652
"1591081"	1785.141628	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+K+HCOOH"	84.968628
"1418929"	1815.173138	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+H+CF3COOH"	115.000138
"1152495"	912.633601	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+3ACN+2H"	125.094202
"1699863"	1832.199685	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+NH4+CF3COOH"	132.026685
"1635514"	1837.15508	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+Na+CF3COOH"	136.98208
"1579918"	1853.12902	"C13452"	"Tannic acid"	"C76H52O46"	"1700.173"	"M+K+CF3COOH"	152.95602
"810286"	250.1569	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M"	0
"980538"	231.13851	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"67687"	165.763990666667	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"508343"	249.149624	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"891613"	82.3783573333333	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"5813"	249.149624	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"442094"	374.228074	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"824273"	124.071174	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"89733"	499.306524	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"533934"	749.463424	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"910510"	249.149624	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"62329"	516.333071	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"500912"	766.489971	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"875554"	266.176171	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"44547"	521.288466	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"484106"	771.445366	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"863751"	271.131566	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1631814"	271.131566	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"109326"	267.137963	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"549367"	392.216413	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"942276"	142.059513	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"280703"	535.283202	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"670939"	785.440102	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1281155"	285.126302	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"24806"	537.262406	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"462179"	787.419306	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"838887"	287.105506	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1563468"	287.105506	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"951352"	295.155094	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"367380"	545.312001	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"353449"	559.327651	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1497907"	309.170751	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"963263"	317.137051	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"123105"	285.126302	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"564122"	410.204752	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1036812"	160.047852	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1253958"	329.075785	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1308026"	331.131772	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1324434"	353.113729	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"916587"	363.142486	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1289282"	399.119164	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1367565"	215.144224	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1383198"	233.1542	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"284629"	501.321076	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"678872"	751.477976	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1361783"	251.164176	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"135765"	251.164176	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"573138"	376.242626	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1045216"	126.085726	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"208016"	167.778542666667	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"648671"	251.164176	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1167890"	84.3929093333333	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"426424"	518.347623	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"788514"	768.504523	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1681927"	268.190723	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"330933"	259.6774495	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"723354"	384.7558995	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1477458"	134.5989995	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"395129"	523.303018	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"756123"	773.459918	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1605680"	273.146118	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"317537"	262.155147	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"708139"	387.233597	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1464877"	137.076697	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1059951"	91.7202233333333	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1267100"	283.190386	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"384579"	539.276958	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"747765"	789.433858	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1552006"	289.120058	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"308088"	270.142117	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"700510"	395.220567	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1460409"	145.063667	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"249867"	542.347626	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1222938"	292.190726	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1206088"	146.599001	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"200054"	545.28496	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"640712"	795.44186	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1145305"	295.12806	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"185319"	273.146118	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"627067"	398.224568	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1122917"	148.067668	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1413124"	99.0475373333333	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1434183"	297.169646	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"226064"	278.17914	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1510479"	311.22169	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"416002"	281.133088	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"779185"	406.211538	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1677708"	156.054638	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"263132"	564.329568	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1239868"	314.172668	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1728028"	314.196193	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1193134"	106.374851333333	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1662540"	319.151588	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"172321"	577.23284	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"612244"	827.38974	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1096022"	327.07594	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"151745"	289.120058	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"590210"	414.198508	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1079096"	164.041608	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1106107"	329.090492	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1336540"	329.178107	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1009927"	333.217276	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1526958"	334.210908	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"994500"	167.112276	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1590098"	335.125528	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1419039"	365.157038	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1153706"	187.625551	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1702160"	382.183585	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1647659"	387.13898	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1580029"	403.11292	"C13453"	"Xanthoxin;2-cis4-trans-Xanthoxin"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"801460"	266.1518	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M"	0
"978461"	247.13341	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-H2O-H"	-19.01839
"66706"	176.427257333333	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M-3H"	-3.021828
"512828"	265.144524	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M-3H"	-3.021828
"891723"	87.7099906666667	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-3H"	-3.021828
"7016"	265.144524	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M-2H"	-2.014552
"448767"	398.220424	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M-2H"	-2.014552
"832039"	132.068624	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-2H"	-2.014552
"89843"	531.296324	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M-H"	-1.007276
"534155"	797.448124	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M-H"	-1.007276
"911328"	265.144524	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-H"	-1.007276
"62527"	548.322871	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M-2H+NH4"	16.019271
"502443"	814.474671	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M-2H+NH4"	16.019271
"879641"	282.171071	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-2H+NH4"	16.019271
"46118"	553.278266	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M-2H+Na"	20.974666
"485314"	819.430066	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M-2H+Na"	20.974666
"864147"	287.126466	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-2H+Na"	20.974666
"1634113"	287.126466	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Na-2H"	20.974666
"109964"	283.132863	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M-H+Cl"	33.962126
"544369"	416.208763	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M-H+Cl"	33.962126
"941164"	150.056963	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-H+Cl"	33.962126
"277534"	567.273002	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+Cl"	34.969402
"669957"	833.424802	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+Cl"	34.969402
"1275800"	301.121202	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Cl"	34.969402
"17622"	569.252206	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M-2H+K"	36.948606
"462287"	835.404006	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M-2H+K"	36.948606
"840089"	303.100406	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-2H+K"	36.948606
"1558110"	303.100406	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+K-2H"	36.948606
"943805"	311.149994	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-H+HCOOH"	44.998194
"365301"	577.301801	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+HCOOH-H"	44.998201
"348088"	591.317451	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+Hac-H"	59.013851
"1495826"	325.165651	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Hac-H"	59.013851
"963370"	333.131951	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-H+NaCOOH"	66.980151
"117743"	301.121202	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+2Cl"	69.938804
"562045"	434.197102	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+2Cl"	69.938804
"1034854"	168.045302	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2Cl"	69.938804
"1255162"	345.070685	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Br"	78.918885
"1306312"	347.126672	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Cl+HCOOH"	80.974872
"1323451"	369.108629	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Cl+NaCOOH"	102.956829
"916697"	379.137386	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M-H+CF3COOH"	112.985586
"1290852"	415.114064	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Cl+CF3COOH"	148.962264
"1369743"	231.139124	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H-2H2O"	-35.012676
"1383593"	249.1491	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H-H2O"	-17.0027
"285468"	533.310876	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+H"	1.007276
"680076"	799.462676	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+H"	1.007276
"1361893"	267.159076	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H"	1.007276
"139155"	267.159076	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+2H"	2.014552
"578715"	400.234976	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+2H"	2.014552
"1048608"	134.083176	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2H"	2.014552
"209948"	178.441809333333	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+3H"	3.021828
"646228"	267.159076	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+3H"	3.021828
"1170189"	89.7245426666667	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+3H"	3.021828
"425438"	550.337423	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+NH4"	18.033823
"788259"	816.489223	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+NH4"	18.033823
"1682400"	284.185623	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+NH4"	18.033823
"330227"	275.6723495	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+H+NH4"	19.041099
"723054"	408.7482495	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+H+NH4"	19.041099
"1477056"	142.5964495	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H+NH4"	19.041099
"393049"	555.292818	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+Na"	22.989218
"756598"	821.444618	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+Na"	22.989218
"1605062"	289.141018	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Na"	22.989218
"315465"	278.150047	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+H+Na"	23.996494
"711900"	411.225947	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+H+Na"	23.996494
"1464625"	145.074147	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H+Na"	23.996494
"1058967"	97.0518566666667	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2H+Na"	25.00377
"1262835"	299.185286	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+CH3OH+H"	33.033486
"382504"	571.266758	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+K"	38.963158
"743501"	837.418558	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+K"	38.963158
"1544461"	305.114958	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+K"	38.963158
"310388"	286.137017	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+H+K"	39.970434
"704997"	419.212917	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+H+K"	39.970434
"1461208"	153.061117	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H+K"	39.970434
"249977"	574.337426	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+ACN+H"	42.033826
"1224385"	308.185626	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+ACN+H"	42.033826
"1206198"	154.596451	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+ACN+2H"	43.041102
"202718"	577.27476	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+2Na-H"	44.97116
"637539"	843.42656	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+2Na-H"	44.97116
"1146637"	311.12296	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2Na-H"	44.97116
"187254"	289.141018	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+2Na"	45.978436
"626084"	422.216918	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+2Na"	45.978436
"1120840"	156.065118	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2Na"	45.978436
"1413114"	104.379170666667	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H+2Na"	46.985712
"1432470"	313.164546	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H+HCOOH"	47.012746
"226173"	294.17404	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+3H2O+2H"	56.04448
"1513142"	327.21659	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+IsoProp+H"	61.06479
"410642"	297.127988	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+Na+K"	61.952376
"779295"	430.203888	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+Na+K"	61.952376
"1679762"	164.052088	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Na+K"	61.952376
"263242"	596.319368	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+ACN+Na"	64.015768
"1239246"	330.167568	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+ACN+Na"	64.015768
"1726677"	330.191093	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+NH4+HCOOH"	64.039293
"1193001"	111.706484666667	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+3Na"	68.967654
"1663741"	335.146488	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Na+HCOOH"	68.994688
"170965"	609.22264	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+2K-H"	76.91904
"611622"	875.37444	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+2K-H"	76.91904
"1095038"	343.07084	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2K-H"	76.91904
"150031"	305.114958	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"2M+2K"	77.926316
"586310"	438.190858	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"3M+2K"	77.926316
"1079569"	172.039058	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2K"	77.926316
"1104031"	345.085392	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2K+H"	78.933592
"1336041"	345.173007	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+DMSO+H"	79.021207
"1007851"	349.212176	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2ACN+H"	83.060376
"1525245"	350.205808	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+IsoProp+Na+H"	84.054008
"991453"	175.109726	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+2ACN+2H"	84.067652
"1588022"	351.120428	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+K+HCOOH"	84.968628
"1416963"	381.151938	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+H+CF3COOH"	115.000138
"1153816"	195.623001	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+3ACN+2H"	125.094202
"1701177"	398.178485	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+NH4+CF3COOH"	132.026685
"1647769"	403.13388	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+Na+CF3COOH"	136.98208
"1580139"	419.10782	"C13454"	"Xanthoxic acid"	"C15H22O4"	"266.1518"	"M+K+CF3COOH"	152.95602
"801747"	248.1412	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M"	0
"975286"	229.12281	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"66816"	164.420190666667	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"514031"	247.133924	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"890740"	81.7064573333333	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"3846"	247.133924	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"448877"	371.204524	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"832557"	123.063324	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"89953"	495.275124	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"534226"	743.416324	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"911350"	247.133924	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"62839"	512.301671	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"501502"	760.442871	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"879183"	264.160471	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"47114"	517.257066	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"485061"	765.398266	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"864199"	269.115866	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1633988"	269.115866	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"109662"	265.122263	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"546668"	389.192863	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"941396"	141.051663	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"271085"	531.251802	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"661319"	779.393002	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1273518"	283.110602	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"16639"	533.231006	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"457292"	781.372206	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"833515"	285.089806	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1555947"	285.089806	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"943021"	293.139394	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"361448"	541.280601	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"346092"	555.296251	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1493750"	307.155051	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"958780"	315.121351	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"111415"	283.110602	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"558146"	407.181202	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1029497"	159.040002	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1251262"	327.060085	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1308249"	329.116072	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1324657"	351.098029	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"918995"	361.126786	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1292423"	397.103464	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1369490"	213.128524	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1383826"	231.1385	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"283101"	497.289676	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"677999"	745.430876	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1352525"	249.148476	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"133798"	249.148476	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"566552"	373.219076	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1039606"	125.077876	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"206414"	166.434742666667	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"648164"	249.148476	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1170299"	83.7210093333333	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"425913"	514.316223	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"786907"	762.457423	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1683604"	266.175023	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"333340"	257.6617495	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"723491"	381.7323495	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1477049"	133.5911495	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"393198"	519.271618	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"755247"	767.412818	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1603708"	271.130418	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"315568"	260.139447	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"709816"	384.210047	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1462787"	136.068847	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1055794"	91.0483233333333	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1259661"	281.174686	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"381517"	535.245558	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"743611"	783.386758	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1546757"	287.104358	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"311228"	268.126417	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"704743"	392.197017	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1460387"	144.055817	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"250939"	538.316226	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1225265"	290.175026	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1208012"	145.591151	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"200275"	541.25356	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"637649"	789.39476	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1146257"	293.11236	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"187001"	271.130418	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"622914"	395.201018	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1119856"	147.059818	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1411033"	98.3756373333333	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1432944"	295.153946	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"225190"	276.16344	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1513252"	309.20599	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"412209"	279.117388	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"770126"	403.187988	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1670267"	155.046788	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"262258"	560.298168	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1240087"	312.156968	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1726058"	312.180493	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1192504"	105.702951333333	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1663853"	317.135888	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"172740"	573.20144	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"612223"	821.34264	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1095878"	325.06024	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"151234"	287.104358	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"587513"	411.174958	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1079679"	163.033758	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1101956"	327.074792	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1336275"	327.162407	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1006868"	331.201576	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1526089"	332.195208	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"994722"	166.104426	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1588132"	333.109828	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1417073"	363.141338	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1153926"	186.617701	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1701287"	380.167885	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1647879"	385.12328	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1580249"	401.09722	"C13455"	"Abscisic aldehyde"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"804417"	250.1569	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M"	0
"977584"	231.13851	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"64732"	165.763990666667	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"510861"	249.149624	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"890850"	82.3783573333333	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"5049"	249.149624	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"448987"	374.228074	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"823508"	124.071174	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"79853"	499.306524	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"533410"	749.463424	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"911248"	249.149624	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"62548"	516.333071	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"502100"	766.489971	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"879546"	266.176171	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"46597"	521.288466	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"486147"	771.445366	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"863713"	271.131566	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1633490"	271.131566	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"108802"	267.137963	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"546414"	392.216413	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"941266"	142.059513	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"271196"	535.283202	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"664710"	785.440102	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1280395"	285.126302	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"16872"	537.262406	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"457767"	787.419306	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"833748"	287.105506	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1555743"	287.105506	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"943051"	295.155094	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"361574"	545.312001	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"346486"	559.327651	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1496045"	309.170751	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"960309"	317.137051	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"113591"	285.126302	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"558620"	410.204752	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1031794"	160.047852	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1251372"	329.075785	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1309453"	331.131772	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1328047"	353.113729	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"918012"	363.142486	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1295814"	399.119164	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1372881"	215.144224	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1383814"	233.1542	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"282933"	501.321076	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"677016"	751.477976	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1354460"	251.164176	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"130627"	251.164176	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"567271"	376.242626	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1044455"	126.085726	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"210534"	167.778542666667	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"648270"	251.164176	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1170041"	84.3929093333333	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"431131"	518.347623	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"787382"	768.504523	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1682620"	268.190723	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"331627"	259.6774495	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"724049"	384.7558995	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1478962"	134.5989995	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"395092"	523.303018	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"756087"	773.459918	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1605279"	273.146118	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"316776"	262.155147	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"710291"	387.233597	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1464112"	137.076697	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1055173"	91.7202233333333	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1261959"	283.190386	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"381627"	539.276958	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"742625"	789.433858	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1543587"	289.120058	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"312431"	270.142117	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"705582"	395.220567	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1460013"	145.063667	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"250443"	542.347626	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1224605"	292.190726	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1207878"	146.599001	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"202695"	545.28496	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"638853"	795.44186	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1145278"	295.12806	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"185650"	273.146118	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"625578"	398.224568	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1119966"	148.067668	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1407863"	99.0475373333333	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1434146"	297.169646	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"231861"	278.17914	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1519923"	311.22169	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"410132"	281.133088	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"771858"	406.211538	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1670013"	156.054638	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"263461"	564.329568	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1239466"	314.172668	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1727139"	314.196193	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1192977"	106.374851333333	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1664327"	319.151588	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"172161"	577.23284	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"611113"	827.38974	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1095622"	327.07594	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"153531"	289.120058	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"586530"	414.198508	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1076509"	164.041608	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1105347"	329.090492	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1338452"	329.178107	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1006981"	333.217276	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1527292"	334.210908	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"993739"	167.112276	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1588606"	335.125528	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1417183"	365.157038	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1157316"	187.625551	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1702490"	382.183585	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1645802"	387.13898	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1580359"	403.11292	"C13456"	"Abscisic alcohol"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"802097"	352.9615	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M"	0
"974777"	333.94311	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-H2O-H"	-19.01839
"64115"	234.300390666667	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M-3H"	-3.021828
"503430"	351.954224	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M-3H"	-3.021828
"890960"	116.646557333333	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-3H"	-3.021828
"2973"	351.954224	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M-2H"	-2.014552
"450186"	528.434974	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M-2H"	-2.014552
"824711"	175.473474	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-2H"	-2.014552
"80691"	704.915724	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M-H"	-1.007276
"532666"	1057.877224	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M-H"	-1.007276
"909253"	351.954224	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-H"	-1.007276
"61926"	721.942271	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M-2H+NH4"	16.019271
"501851"	1074.903771	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M-2H+NH4"	16.019271
"879039"	368.980771	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-2H+NH4"	16.019271
"46452"	726.897666	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M-2H+Na"	20.974666
"486622"	1079.859166	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M-2H+Na"	20.974666
"862602"	373.936166	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-2H+Na"	20.974666
"1628615"	373.936166	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Na-2H"	20.974666
"104779"	369.942563	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M-H+Cl"	33.962126
"544337"	546.423313	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M-H+Cl"	33.962126
"940037"	193.461813	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-H+Cl"	33.962126
"273492"	740.892402	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+Cl"	34.969402
"664820"	1093.853902	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+Cl"	34.969402
"1275039"	387.930902	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Cl"	34.969402
"16494"	742.871606	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M-2H+K"	36.948606
"455934"	1095.833106	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M-2H+K"	36.948606
"833736"	389.910106	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-2H+K"	36.948606
"1555800"	389.910106	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+K-2H"	36.948606
"943158"	397.959694	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-H+HCOOH"	44.998194
"361976"	750.921201	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+HCOOH-H"	44.998201
"345985"	764.936851	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+Hac-H"	59.013851
"1493235"	411.975351	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Hac-H"	59.013851
"959196"	419.941651	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-H+NaCOOH"	66.980151
"112608"	387.930902	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+2Cl"	69.938804
"557636"	564.411652	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+2Cl"	69.938804
"1027530"	211.450152	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2Cl"	69.938804
"1244921"	431.880385	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Br"	78.918885
"1310656"	433.936372	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Cl+HCOOH"	80.974872
"1322688"	455.918329	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Cl+NaCOOH"	102.956829
"915935"	465.947086	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M-H+CF3COOH"	112.985586
"1290819"	501.923764	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Cl+CF3COOH"	148.962264
"1370802"	317.948824	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H-2H2O"	-35.012676
"1384045"	335.9588	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H-H2O"	-17.0027
"283072"	706.930276	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+H"	1.007276
"675697"	1059.891776	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+H"	1.007276
"1354564"	353.968776	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H"	1.007276
"127090"	353.968776	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+2H"	2.014552
"567383"	530.449526	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+2H"	2.014552
"1039826"	177.488026	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2H"	2.014552
"206633"	236.314942666667	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+3H"	3.021828
"650932"	353.968776	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+3H"	3.021828
"1166871"	118.661109333333	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+3H"	3.021828
"431971"	723.956823	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+NH4"	18.033823
"786885"	1076.918323	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+NH4"	18.033823
"1681635"	370.995323	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+NH4"	18.033823
"331374"	362.4820495	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+H+NH4"	19.041099
"724160"	538.9627995	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+H+NH4"	19.041099
"1477979"	186.0012995	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H+NH4"	19.041099
"393746"	728.912218	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+Na"	22.989218
"755105"	1081.873718	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+Na"	22.989218
"1604300"	375.950718	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Na"	22.989218
"316522"	364.959747	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+H+Na"	23.996494
"709673"	541.440497	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+H+Na"	23.996494
"1463492"	188.478997	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H+Na"	23.996494
"1054917"	125.988423333333	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2H+Na"	25.00377
"1263162"	385.994986	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+CH3OH+H"	33.033486
"380644"	744.886158	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+K"	38.963158
"743828"	1097.847658	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+K"	38.963158
"1545883"	391.924658	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+K"	38.963158
"312905"	372.946717	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+H+K"	39.970434
"706421"	549.427467	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+H+K"	39.970434
"1460366"	196.465967	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H+K"	39.970434
"250309"	747.956826	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+ACN+H"	42.033826
"1224473"	394.995326	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+ACN+H"	42.033826
"1208719"	198.001301	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+ACN+2H"	43.041102
"203050"	750.89416	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+2Na-H"	44.97116
"638963"	1103.85566	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+2Na-H"	44.97116
"1146119"	397.93266	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2Na-H"	44.97116
"183573"	375.950718	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+2Na"	45.978436
"621679"	552.431468	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+2Na"	45.978436
"1124450"	199.469968	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2Na"	45.978436
"1411253"	133.315737333333	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H+2Na"	46.985712
"1433893"	399.974246	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H+HCOOH"	47.012746
"231971"	380.98374	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+3H2O+2H"	56.04448
"1520762"	414.02629	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+IsoProp+H"	61.06479
"410242"	383.937688	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+Na+K"	61.952376
"772697"	560.418438	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+Na+K"	61.952376
"1668662"	207.456938	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Na+K"	61.952376
"252993"	769.938768	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+ACN+Na"	64.015768
"1230811"	416.977268	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+ACN+Na"	64.015768
"1726998"	417.000793	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+NH4+HCOOH"	64.039293
"1192354"	140.643051333333	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+3Na"	68.967654
"1662978"	421.956188	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Na+HCOOH"	68.994688
"170204"	782.84204	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+2K-H"	76.91904
"611220"	1135.80354	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+2K-H"	76.91904
"1093545"	429.88054	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2K-H"	76.91904
"154370"	391.924658	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"2M+2K"	77.926316
"588827"	568.405408	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"3M+2K"	77.926316
"1073339"	215.443908	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2K"	77.926316
"1108737"	431.895092	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2K+H"	78.933592
"1338562"	431.982707	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+DMSO+H"	79.021207
"1006601"	436.021876	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2ACN+H"	83.060376
"1525576"	437.015508	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+IsoProp+Na+H"	84.054008
"991054"	218.514576	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+2ACN+2H"	84.067652
"1587741"	437.930128	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+K+HCOOH"	84.968628
"1416200"	467.961638	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+H+CF3COOH"	115.000138
"1154146"	239.027851	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+3ACN+2H"	125.094202
"1700414"	484.988185	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+NH4+CF3COOH"	132.026685
"1642632"	489.94358	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+Na+CF3COOH"	136.98208
"1580469"	505.91752	"C13478"	"Luliconazole"	"C14H9Cl2N3S2"	"352.9615"	"M+K+CF3COOH"	152.95602
"801612"	169.0504	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M"	0
"975615"	150.03201	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-H2O-H"	-19.01839
"63861"	111.692990666667	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M-3H"	-3.021828
"504511"	168.043124	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M-3H"	-3.021828
"881709"	55.3428573333333	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-3H"	-3.021828
"6363"	168.043124	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M-2H"	-2.014552
"450296"	252.568324	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M-2H"	-2.014552
"821541"	83.517924	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-2H"	-2.014552
"80437"	337.093524	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M-H"	-1.007276
"522187"	506.143924	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M-H"	-1.007276
"909000"	168.043124	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-H"	-1.007276
"61793"	354.120071	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M-2H+NH4"	16.019271
"502083"	523.170471	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M-2H+NH4"	16.019271
"879801"	185.069671	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-2H+NH4"	16.019271
"46683"	359.075466	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M-2H+Na"	20.974666
"486981"	528.125866	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M-2H+Na"	20.974666
"863321"	190.025066	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-2H+Na"	20.974666
"1630913"	190.025066	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Na-2H"	20.974666
"106347"	186.031463	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M-H+Cl"	33.962126
"547726"	270.556663	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M-H+Cl"	33.962126
"940875"	101.506263	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-H+Cl"	33.962126
"273601"	373.070202	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+Cl"	34.969402
"660553"	542.120602	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+Cl"	34.969402
"1278429"	204.019802	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Cl"	34.969402
"18799"	375.049406	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M-2H+K"	36.948606
"459451"	544.099806	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M-2H+K"	36.948606
"834453"	205.999006	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-2H+K"	36.948606
"1556607"	205.999006	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+K-2H"	36.948606
"943394"	214.048594	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-H+HCOOH"	44.998194
"362452"	383.099001	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+HCOOH-H"	44.998201
"346339"	397.114651	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+Hac-H"	59.013851
"1493343"	228.064251	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Hac-H"	59.013851
"959184"	236.030551	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-H+NaCOOH"	66.980151
"110765"	204.019802	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+2Cl"	69.938804
"557744"	288.545002	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+2Cl"	69.938804
"1027638"	119.494602	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2Cl"	69.938804
"1248311"	247.969285	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Br"	78.918885
"1309673"	250.025272	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Cl+HCOOH"	80.974872
"1322798"	272.007229	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Cl+NaCOOH"	102.956829
"917138"	282.035986	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M-H+CF3COOH"	112.985586
"1294939"	318.012664	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Cl+CF3COOH"	148.962264
"1369819"	134.037724	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H-2H2O"	-35.012676
"1384034"	152.0477	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H-H2O"	-17.0027
"283304"	339.108076	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+H"	1.007276
"676381"	508.158476	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+H"	1.007276
"1353580"	170.057676	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H"	1.007276
"126589"	170.057676	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+2H"	2.014552
"566763"	254.582876	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+2H"	2.014552
"1039204"	85.532476	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2H"	2.014552
"206377"	113.707542666667	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+3H"	3.021828
"647032"	170.057676	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+3H"	3.021828
"1165159"	57.3574093333333	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+3H"	3.021828
"431351"	356.134623	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+NH4"	18.033823
"787240"	525.185023	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+NH4"	18.033823
"1683571"	187.084223	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+NH4"	18.033823
"332213"	178.5709495	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+H+NH4"	19.041099
"722859"	263.0961495	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+H+NH4"	19.041099
"1479185"	94.0457495	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H+NH4"	19.041099
"393492"	361.090018	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+Na"	22.989218
"755337"	530.140418	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+Na"	22.989218
"1605505"	192.039618	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Na"	22.989218
"316631"	181.048647	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+H+Na"	23.996494
"710510"	265.573847	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+H+Na"	23.996494
"1463602"	96.523447	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H+Na"	23.996494
"1053568"	64.6847233333333	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2H+Na"	25.00377
"1257187"	202.083886	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+CH3OH+H"	33.033486
"380024"	377.063958	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+K"	38.963158
"742845"	546.114358	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+K"	38.963158
"1544900"	208.013558	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+K"	38.963158
"313016"	189.035617	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+H+K"	39.970434
"706411"	273.560817	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+H+K"	39.970434
"1461042"	104.510417	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H+K"	39.970434
"251149"	380.134626	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+ACN+H"	42.033826
"1225190"	211.084226	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+ACN+H"	42.033826
"1207735"	106.045751	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+ACN+2H"	43.041102
"203404"	383.07196	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+2Na-H"	44.97116
"637980"	552.12236	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+2Na-H"	44.97116
"1146677"	214.02156	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2Na-H"	44.97116
"183683"	192.039618	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+2Na"	45.978436
"622152"	276.564818	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+2Na"	45.978436
"1125653"	107.514418	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2Na"	45.978436
"1411363"	72.0120373333333	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H+2Na"	46.985712
"1436917"	216.063146	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H+HCOOH"	47.012746
"229894"	197.07264	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+3H2O+2H"	56.04448
"1519414"	230.11519	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+IsoProp+H"	61.06479
"413266"	200.026588	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+Na+K"	61.952376
"773171"	284.551788	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+Na+K"	61.952376
"1666706"	115.501388	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Na+K"	61.952376
"253833"	402.116568	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+ACN+Na"	64.015768
"1230192"	233.066168	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+ACN+Na"	64.015768
"1726015"	233.089693	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+NH4+HCOOH"	64.039293
"1192586"	79.3393513333333	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+3Na"	68.967654
"1665032"	238.045088	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Na+HCOOH"	68.994688
"170678"	415.01984	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+2K-H"	76.91904
"611209"	584.07024	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+2K-H"	76.91904
"1090375"	245.96944	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2K-H"	76.91904
"150469"	208.013558	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"2M+2K"	77.926316
"587844"	292.538758	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"3M+2K"	77.926316
"1073449"	123.488358	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2K"	77.926316
"1107754"	247.983992	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2K+H"	78.933592
"1338672"	248.071607	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+DMSO+H"	79.021207
"1006103"	252.110776	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2ACN+H"	83.060376
"1525074"	253.104408	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+IsoProp+Na+H"	84.054008
"990800"	126.559026	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+2ACN+2H"	84.067652
"1587733"	254.019028	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+K+HCOOH"	84.968628
"1415217"	284.050538	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+H+CF3COOH"	115.000138
"1154256"	147.072301	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+3ACN+2H"	125.094202
"1700524"	301.077085	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+NH4+CF3COOH"	132.026685
"1646022"	306.03248	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+Na+CF3COOH"	136.98208
"1580579"	322.00642	"C13482"	"Phosphodimethylethanolamine"	"C4H12NO4P"	"169.0504"	"M+K+CF3COOH"	152.95602
"810945"	360.1349	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M"	0
"981197"	341.11651	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-H2O-H"	-19.01839
"70535"	239.082657333333	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M-3H"	-3.021828
"507908"	359.127624	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M-3H"	-3.021828
"883523"	119.037690666667	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-3H"	-3.021828
"6472"	359.127624	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M-2H"	-2.014552
"447124"	539.195074	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M-2H"	-2.014552
"824934"	179.060174	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-2H"	-2.014552
"87111"	719.262524	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M-H"	-1.007276
"523390"	1079.397424	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M-H"	-1.007276
"908140"	359.127624	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-H"	-1.007276
"61903"	736.289071	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M-2H+NH4"	16.019271
"502738"	1096.423971	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M-2H+NH4"	16.019271
"879381"	376.154171	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-2H+NH4"	16.019271
"46887"	741.244466	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M-2H+Na"	20.974666
"487039"	1101.379366	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M-2H+Na"	20.974666
"864122"	381.109566	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-2H+Na"	20.974666
"1633814"	381.109566	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Na-2H"	20.974666
"104270"	377.115963	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M-H+Cl"	33.962126
"546014"	557.183413	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M-H+Cl"	33.962126
"937341"	197.048513	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-H+Cl"	33.962126
"270067"	755.239202	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+Cl"	34.969402
"665040"	1115.374102	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+Cl"	34.969402
"1277445"	395.104302	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Cl"	34.969402
"18909"	757.218406	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M-2H+K"	36.948606
"459561"	1117.353306	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M-2H+K"	36.948606
"835175"	397.083506	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-2H+K"	36.948606
"1557079"	397.083506	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+K-2H"	36.948606
"943868"	405.133094	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-H+HCOOH"	44.998194
"362082"	765.268001	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+HCOOH-H"	44.998201
"346086"	779.283651	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+Hac-H"	59.013851
"1493706"	419.148751	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Hac-H"	59.013851
"962830"	427.115051	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-H+NaCOOH"	66.980151
"112101"	395.104302	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+2Cl"	69.938804
"549997"	575.171752	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+2Cl"	69.938804
"1021565"	215.036852	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2Cl"	69.938804
"1248421"	439.053785	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Br"	78.918885
"1316345"	441.109772	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Cl+HCOOH"	80.974872
"1325095"	463.091729	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Cl+NaCOOH"	102.956829
"921625"	473.120486	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M-H+CF3COOH"	112.985586
"1299425"	509.097164	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Cl+CF3COOH"	148.962264
"1374305"	325.122224	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H-2H2O"	-35.012676
"1387425"	343.1322	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H-H2O"	-17.0027
"291488"	721.277076	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+H"	1.007276
"679898"	1081.411976	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+H"	1.007276
"1352718"	361.142176	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H"	1.007276
"128405"	361.142176	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+2H"	2.014552
"567965"	541.209626	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+2H"	2.014552
"1040046"	181.074726	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2H"	2.014552
"207943"	241.097209333333	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+3H"	3.021828
"647510"	361.142176	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+3H"	3.021828
"1170378"	121.052242666667	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+3H"	3.021828
"430003"	738.303623	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+NH4"	18.033823
"787353"	1098.438523	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+NH4"	18.033823
"1682950"	378.168723	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+NH4"	18.033823
"330506"	369.6554495	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+H+NH4"	19.041099
"724501"	549.7228995	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+H+NH4"	19.041099
"1478932"	189.5879995	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H+NH4"	19.041099
"395785"	743.259018	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+Na"	22.989218
"756052"	1103.393918	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+Na"	22.989218
"1604759"	383.124118	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Na"	22.989218
"316012"	372.133147	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+H+Na"	23.996494
"710620"	552.200597	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+H+Na"	23.996494
"1462862"	192.065697	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H+Na"	23.996494
"1057330"	128.379556666667	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2H+Na"	25.00377
"1261196"	393.168386	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+CH3OH+H"	33.033486
"388522"	759.232958	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+K"	38.963158
"746237"	1119.367858	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+K"	38.963158
"1548290"	399.098058	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+K"	38.963158
"314249"	380.120117	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+H+K"	39.970434
"707010"	560.187567	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+H+K"	39.970434
"1459001"	200.052667	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H+K"	39.970434
"251144"	762.303626	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+ACN+H"	42.033826
"1225564"	402.168726	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+ACN+H"	42.033826
"1209843"	201.588001	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+ACN+2H"	43.041102
"204168"	765.24096	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+2Na-H"	44.97116
"644108"	1125.37586	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+2Na-H"	44.97116
"1146847"	405.10606	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2Na-H"	44.97116
"188515"	383.124118	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+2Na"	45.978436
"626636"	563.191568	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+2Na"	45.978436
"1130866"	203.056668	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2Na"	45.978436
"1414025"	135.706870666667	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H+2Na"	46.985712
"1435936"	407.147646	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H+HCOOH"	47.012746
"232556"	388.15714	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+3H2O+2H"	56.04448
"1519888"	421.19969	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+IsoProp+H"	61.06479
"411191"	391.111088	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+Na+K"	61.952376
"773645"	571.178538	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+Na+K"	61.952376
"1667424"	211.043638	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Na+K"	61.952376
"253943"	784.285568	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+ACN+Na"	64.015768
"1235409"	424.150668	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+ACN+Na"	64.015768
"1727463"	424.174193	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+NH4+HCOOH"	64.039293
"1193758"	143.034184666667	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+3Na"	68.967654
"1664906"	429.129588	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Na+HCOOH"	68.994688
"172329"	797.18884	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+2K-H"	76.91904
"612422"	1157.32374	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+2K-H"	76.91904
"1092674"	437.05394	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2K-H"	76.91904
"151677"	399.098058	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"2M+2K"	77.926316
"592330"	579.165508	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"3M+2K"	77.926316
"1079028"	219.030608	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2K"	77.926316
"1110053"	439.068492	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2K+H"	78.933592
"1346439"	439.156107	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+DMSO+H"	79.021207
"1018249"	443.195276	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2ACN+H"	83.060376
"1534188"	444.188908	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+IsoProp+Na+H"	84.054008
"1001728"	222.101276	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+2ACN+2H"	84.067652
"1598419"	445.103528	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+K+HCOOH"	84.968628
"1425173"	475.135038	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+H+CF3COOH"	115.000138
"1159837"	242.614551	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+3ACN+2H"	125.094202
"1711574"	492.161585	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+NH4+CF3COOH"	132.026685
"1639571"	497.11698	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+Na+CF3COOH"	136.98208
"1580689"	513.09092	"C13487"	"Metofluthrin"	"C18H20F4O3"	"360.1349"	"M+K+CF3COOH"	152.95602
"801505"	582.4343	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M"	0
"976929"	563.41591	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-H2O-H"	-19.01839
"63108"	387.282257333333	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M-3H"	-3.021828
"508018"	581.427024	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M-3H"	-3.021828
"883633"	193.137490666667	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-3H"	-3.021828
"5488"	581.427024	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M-2H"	-2.014552
"448328"	872.644174	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M-2H"	-2.014552
"830512"	290.209874	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-2H"	-2.014552
"85034"	1163.861324	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M-H"	-1.007276
"523500"	1746.295624	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M-H"	-1.007276
"911164"	581.427024	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-H"	-1.007276
"61653"	1180.887871	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M-2H+NH4"	16.019271
"501576"	1763.322171	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M-2H+NH4"	16.019271
"879688"	598.453571	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-2H+NH4"	16.019271
"46918"	1185.843266	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M-2H+Na"	20.974666
"486428"	1768.277566	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M-2H+Na"	20.974666
"863658"	603.408966	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-2H+Na"	20.974666
"1633594"	603.408966	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Na-2H"	20.974666
"108755"	599.415363	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M-H+Cl"	33.962126
"543938"	890.632513	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M-H+Cl"	33.962126
"941828"	308.198213	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-H+Cl"	33.962126
"278197"	1199.838002	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+Cl"	34.969402
"668430"	1782.272302	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+Cl"	34.969402
"1283023"	617.403702	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Cl"	34.969402
"22300"	1201.817206	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M-2H+K"	36.948606
"466232"	1784.251506	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M-2H+K"	36.948606
"840753"	619.382906	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-2H+K"	36.948606
"1558045"	619.382906	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+K-2H"	36.948606
"945562"	627.432494	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-H+HCOOH"	44.998194
"362196"	1209.866801	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+HCOOH-H"	44.998201
"347660"	1223.882451	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+Hac-H"	59.013851
"1493209"	641.448151	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Hac-H"	59.013851
"966220"	649.414451	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-H+NaCOOH"	66.980151
"111968"	617.403702	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+2Cl"	69.938804
"550030"	908.620852	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+2Cl"	69.938804
"1026765"	326.186552	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2Cl"	69.938804
"1247437"	661.353185	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Br"	78.918885
"1313175"	663.409172	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Cl+HCOOH"	80.974872
"1325205"	685.391129	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Cl+NaCOOH"	102.956829
"923560"	695.419886	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M-H+CF3COOH"	112.985586
"1301722"	731.396564	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Cl+CF3COOH"	148.962264
"1374415"	547.421624	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H-2H2O"	-35.012676
"1385349"	565.4316	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H-H2O"	-17.0027
"288316"	1165.875876	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+H"	1.007276
"677092"	1748.310176	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+H"	1.007276
"1351333"	583.441576	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H"	1.007276
"127054"	583.441576	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+2H"	2.014552
"566983"	874.658726	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+2H"	2.014552
"1039427"	292.224426	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2H"	2.014552
"207687"	389.296809333333	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+3H"	3.021828
"647620"	583.441576	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+3H"	3.021828
"1171581"	195.152042666667	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+3H"	3.021828
"427926"	1182.902423	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+NH4"	18.033823
"788924"	1765.336723	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+NH4"	18.033823
"1682338"	600.468123	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+NH4"	18.033823
"331345"	591.9548495	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+H+NH4"	19.041099
"723519"	883.1719995	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+H+NH4"	19.041099
"1477949"	300.7376995	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H+NH4"	19.041099
"393061"	1187.857818	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+Na"	22.989218
"755436"	1770.292118	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+Na"	22.989218
"1604263"	605.423518	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Na"	22.989218
"315028"	594.432547	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+H+Na"	23.996494
"711459"	885.649697	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+H+Na"	23.996494
"1461719"	303.215397	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H+Na"	23.996494
"1057440"	202.479356666667	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2H+Na"	25.00377
"1261306"	615.467786	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+CH3OH+H"	33.033486
"387904"	1203.831758	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+K"	38.963158
"746347"	1786.266058	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+K"	38.963158
"1548400"	621.397458	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+K"	38.963158
"313480"	602.419517	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+H+K"	39.970434
"706752"	893.636667	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+H+K"	39.970434
"1458018"	311.202367	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H+K"	39.970434
"250925"	1206.902426	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+ACN+H"	42.033826
"1225336"	624.468126	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+ACN+H"	42.033826
"1209543"	312.737701	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+ACN+2H"	43.041102
"204228"	1209.83976	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+2Na-H"	44.97116
"643997"	1792.27406	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+2Na-H"	44.97116
"1147002"	627.40546	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2Na-H"	44.97116
"187062"	605.423518	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+2Na"	45.978436
"625653"	896.640668	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+2Na"	45.978436
"1130734"	314.206368	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2Na"	45.978436
"1411583"	209.806670666667	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H+2Na"	46.985712
"1435316"	629.447046	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H+HCOOH"	47.012746
"231937"	610.45654	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+3H2O+2H"	56.04448
"1521092"	643.49909	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+IsoProp+H"	61.06479
"410208"	613.410488	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+Na+K"	61.952376
"771934"	904.627638	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+Na+K"	61.952376
"1666441"	322.193338	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Na+K"	61.952376
"252960"	1228.884368	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+ACN+Na"	64.015768
"1235519"	646.450068	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+ACN+Na"	64.015768
"1728280"	646.473593	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+NH4+HCOOH"	64.039293
"1193995"	217.133984666667	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+3Na"	68.967654
"1665471"	651.428988	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Na+HCOOH"	68.994688
"172726"	1241.78764	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+2K-H"	76.91904
"612661"	1824.22194	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+2K-H"	76.91904
"1099345"	659.35334	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2K-H"	76.91904
"156040"	621.397458	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"2M+2K"	77.926316
"592440"	912.614608	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"3M+2K"	77.926316
"1079138"	330.180308	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2K"	77.926316
"1113322"	661.367892	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2K+H"	78.933592
"1349830"	661.455507	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+DMSO+H"	79.021207
"1019453"	665.494676	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2ACN+H"	83.060376
"1535392"	666.488308	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+IsoProp+Na+H"	84.054008
"999651"	333.250976	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+2ACN+2H"	84.067652
"1600716"	667.402928	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+K+HCOOH"	84.968628
"1425283"	697.434438	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+H+CF3COOH"	115.000138
"1161040"	353.764251	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+3ACN+2H"	125.094202
"1711684"	714.460985	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+NH4+CF3COOH"	132.026685
"1639681"	719.41638	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+Na+CF3COOH"	136.98208
"1580799"	735.39032	"C13493"	"Polidocanol;Nonaethylene glycol monododecyl ether"	"C30H62O10"	"582.4343"	"M+K+CF3COOH"	152.95602
"802416"	649.205	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M"	0
"976310"	630.18661	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-H2O-H"	-19.01839
"64189"	431.796057333333	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M-3H"	-3.021828
"505936"	648.197724	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M-3H"	-3.021828
"884834"	215.394390666667	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-3H"	-3.021828
"6692"	648.197724	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M-2H"	-2.014552
"447344"	972.800224	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M-2H"	-2.014552
"825153"	323.595224	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-2H"	-2.014552
"81862"	1297.402724	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M-H"	-1.007276
"521421"	1946.607724	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M-H"	-1.007276
"901411"	648.197724	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-H"	-1.007276
"57978"	1314.429271	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M-2H+NH4"	16.019271
"500820"	1963.634271	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M-2H+NH4"	16.019271
"879356"	665.224271	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-2H+NH4"	16.019271
"44334"	1319.384666	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M-2H+Na"	20.974666
"486989"	1968.589666	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M-2H+Na"	20.974666
"863161"	670.179666	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-2H+Na"	20.974666
"1631962"	670.179666	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Na-2H"	20.974666
"105576"	666.186063	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M-H+Cl"	33.962126
"547321"	990.788563	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M-H+Cl"	33.962126
"937563"	341.583563	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-H+Cl"	33.962126
"275026"	1333.379402	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+Cl"	34.969402
"668540"	1982.584402	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+Cl"	34.969402
"1278757"	684.174402	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Cl"	34.969402
"25686"	1335.358606	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M-2H+K"	36.948606
"465248"	1984.563606	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M-2H+K"	36.948606
"834302"	686.153606	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-2H+K"	36.948606
"1561071"	686.153606	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+K-2H"	36.948606
"943850"	694.203194	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-H+HCOOH"	44.998194
"361701"	1343.408201	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+HCOOH-H"	44.998201
"346227"	1357.423851	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+Hac-H"	59.013851
"1493320"	708.218851	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Hac-H"	59.013851
"960862"	716.185151	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-H+NaCOOH"	66.980151
"110372"	684.174402	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+2Cl"	69.938804
"551147"	1008.776902	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+2Cl"	69.938804
"1022502"	359.571902	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2Cl"	69.938804
"1249369"	728.123885	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Br"	78.918885
"1313285"	730.179872	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Cl+HCOOH"	80.974872
"1326408"	752.161829	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Cl+NaCOOH"	102.956829
"924398"	762.190586	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M-H+CF3COOH"	112.985586
"1297458"	798.167264	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Cl+CF3COOH"	148.962264
"1373432"	614.192324	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H-2H2O"	-35.012676
"1385459"	632.2023	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H-H2O"	-17.0027
"286239"	1299.417276	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+H"	1.007276
"677202"	1948.622276	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+H"	1.007276
"1351965"	650.212276	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H"	1.007276
"126430"	650.212276	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+2H"	2.014552
"566119"	974.814776	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+2H"	2.014552
"1039902"	325.609776	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2H"	2.014552
"206343"	433.810609333333	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+3H"	3.021828
"644450"	650.212276	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+3H"	3.021828
"1163542"	217.408942666667	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+3H"	3.021828
"425235"	1316.443823	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+NH4"	18.033823
"788303"	1965.648823	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+NH4"	18.033823
"1684629"	667.238823	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+NH4"	18.033823
"332185"	658.7255495	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+H+NH4"	19.041099
"724724"	983.3280495	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+H+NH4"	19.041099
"1479516"	334.1230495	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H+NH4"	19.041099
"395644"	1321.399218	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+Na"	22.989218
"755545"	1970.604218	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+Na"	22.989218
"1606193"	672.194218	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Na"	22.989218
"316957"	661.203247	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+H+Na"	23.996494
"709747"	985.805747	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+H+Na"	23.996494
"1465394"	336.600747	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H+Na"	23.996494
"1056457"	224.736256666667	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2H+Na"	25.00377
"1260323"	682.238486	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+CH3OH+H"	33.033486
"389836"	1337.373158	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+K"	38.963158
"750468"	1986.578158	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+K"	38.963158
"1550697"	688.168158	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+K"	38.963158
"314000"	669.190217	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+H+K"	39.970434
"706255"	993.792717	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+H+K"	39.970434
"1460563"	344.587717	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H+K"	39.970434
"251198"	1340.443826	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+ACN+H"	42.033826
"1225443"	691.238826	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+ACN+H"	42.033826
"1209733"	346.123051	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+ACN+2H"	43.041102
"203614"	1343.38116	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+2Na-H"	44.97116
"644028"	1992.58616	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+2Na-H"	44.97116
"1146683"	694.17616	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2Na-H"	44.97116
"186812"	672.194218	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+2Na"	45.978436
"624668"	996.796718	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+2Na"	45.978436
"1128174"	347.591718	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2Na"	45.978436
"1411697"	232.063570666667	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H+2Na"	46.985712
"1434698"	696.217746	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H+HCOOH"	47.012746
"233141"	677.22724	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+3H2O+2H"	56.04448
"1520108"	710.26979	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+IsoProp+H"	61.06479
"413598"	680.181188	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+Na+K"	61.952376
"772772"	1004.783688	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+Na+K"	61.952376
"1665981"	355.578688	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Na+K"	61.952376
"254163"	1362.425768	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+ACN+Na"	64.015768
"1236358"	713.220768	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+ACN+Na"	64.015768
"1728404"	713.244293	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+NH4+HCOOH"	64.039293
"1193860"	239.390884666667	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+3Na"	68.967654
"1665454"	718.199688	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Na+HCOOH"	68.994688
"172799"	1375.32904	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+2K-H"	76.91904
"612770"	2024.53404	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+2K-H"	76.91904
"1099293"	726.12404	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2K-H"	76.91904
"154083"	688.168158	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"2M+2K"	77.926316
"594495"	1012.770658	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"3M+2K"	77.926316
"1078155"	363.565658	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2K"	77.926316
"1113432"	728.138592	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2K+H"	78.933592
"1349940"	728.226207	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+DMSO+H"	79.021207
"1020903"	732.265376	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2ACN+H"	83.060376
"1536595"	733.259008	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+IsoProp+Na+H"	84.054008
"999761"	366.636326	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+2ACN+2H"	84.067652
"1599733"	734.173628	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+K+HCOOH"	84.968628
"1425393"	764.205138	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+H+CF3COOH"	115.000138
"1161150"	387.149601	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+3ACN+2H"	125.094202
"1711794"	781.231685	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+NH4+CF3COOH"	132.026685
"1643071"	786.18708	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+Na+CF3COOH"	136.98208
"1580909"	802.16102	"C13494"	"Mosapride citrate hydrate;AS 4370"	"C21H25ClFN3O3C6H8O72H2O"	"649.205"	"M+K+CF3COOH"	152.95602
"804714"	816.1727	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M"	0
"974721"	797.15431	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-H2O-H"	-19.01839
"65397"	543.107857333333	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M-3H"	-3.021828
"504959"	815.165424	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M-3H"	-3.021828
"889323"	271.050290666667	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-3H"	-3.021828
"4616"	815.165424	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M-2H"	-2.014552
"447461"	1223.251774	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M-2H"	-2.014552
"826356"	407.079074	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-2H"	-2.014552
"84159"	1631.338124	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M-H"	-1.007276
"522624"	2447.510824	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M-H"	-1.007276
"905900"	815.165424	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-H"	-1.007276
"55900"	1648.364671	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M-2H+NH4"	16.019271
"501422"	2464.537371	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M-2H+NH4"	16.019271
"878128"	832.191971	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-2H+NH4"	16.019271
"46643"	1653.320066	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M-2H+Na"	20.974666
"483644"	2469.492766	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M-2H+Na"	20.974666
"860718"	837.147366	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-2H+Na"	20.974666
"1633785"	837.147366	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Na-2H"	20.974666
"109335"	833.153763	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M-H+Cl"	33.962126
"548409"	1241.240113	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M-H+Cl"	33.962126
"937672"	425.067413	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-H+Cl"	33.962126
"271855"	1667.314802	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+Cl"	34.969402
"668650"	2483.487502	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+Cl"	34.969402
"1278867"	851.142102	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Cl"	34.969402
"23609"	1669.294006	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M-2H+K"	36.948606
"459892"	2485.466706	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M-2H+K"	36.948606
"834412"	853.121306	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-2H+K"	36.948606
"1557900"	853.121306	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+K-2H"	36.948606
"943717"	861.170894	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-H+HCOOH"	44.998194
"362053"	1677.343601	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+HCOOH-H"	44.998201
"346014"	1691.359251	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+Hac-H"	59.013851
"1494525"	875.186551	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Hac-H"	59.013851
"960972"	883.152851	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-H+NaCOOH"	66.980151
"110478"	851.142102	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+2Cl"	69.938804
"551009"	1259.228452	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+2Cl"	69.938804
"1022244"	443.055752	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2Cl"	69.938804
"1253133"	895.091585	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Br"	78.918885
"1312302"	897.147572	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Cl+HCOOH"	80.974872
"1324331"	919.129529	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Cl+NaCOOH"	102.956829
"921590"	929.158286	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M-H+CF3COOH"	112.985586
"1299758"	965.134964	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Cl+CF3COOH"	148.962264
"1375730"	781.160024	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H-2H2O"	-35.012676
"1386664"	799.17	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H-H2O"	-17.0027
"284528"	1633.352676	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+H"	1.007276
"677678"	2449.525376	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+H"	1.007276
"1351711"	817.179976	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H"	1.007276
"126061"	817.179976	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+2H"	2.014552
"566389"	1225.266326	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+2H"	2.014552
"1038913"	409.093626	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2H"	2.014552
"204953"	545.122409333333	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+3H"	3.021828
"646747"	817.179976	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+3H"	3.021828
"1163652"	273.064842666667	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+3H"	3.021828
"426319"	1650.379223	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+NH4"	18.033823
"786951"	2466.551923	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+NH4"	18.033823
"1683652"	834.206523	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+NH4"	18.033823
"331317"	825.6932495	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+H+NH4"	19.041099
"725442"	1233.7795995	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+H+NH4"	19.041099
"1479988"	417.6068995	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H+NH4"	19.041099
"394171"	1655.334618	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+Na"	22.989218
"755651"	2471.507318	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+Na"	22.989218
"1604479"	839.161918	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Na"	22.989218
"315611"	828.170947	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+H+Na"	23.996494
"709853"	1236.257297	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+H+Na"	23.996494
"1462954"	420.084597	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H+Na"	23.996494
"1056568"	280.392156666667	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2H+Na"	25.00377
"1268091"	849.206186	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+CH3OH+H"	33.033486
"389947"	1671.308558	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+K"	38.963158
"752403"	2487.481258	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+K"	38.963158
"1553970"	855.135858	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+K"	38.963158
"313584"	836.157917	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+H+K"	39.970434
"706371"	1244.244267	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+H+K"	39.970434
"1460556"	428.071567	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H+K"	39.970434
"251276"	1674.379226	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+ACN+H"	42.033826
"1225433"	858.206526	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+ACN+H"	42.033826
"1209284"	429.606901	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+ACN+2H"	43.041102
"203238"	1677.31656	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+2Na-H"	44.97116
"643614"	2493.48926	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+2Na-H"	44.97116
"1146184"	861.14386	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2Na-H"	44.97116
"188137"	839.161918	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+2Na"	45.978436
"626233"	1247.248268	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+2Na"	45.978436
"1129864"	431.075568	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2Na"	45.978436
"1410708"	287.719470666667	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H+2Na"	46.985712
"1442465"	863.185446	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H+HCOOH"	47.012746
"232523"	844.19494	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+3H2O+2H"	56.04448
"1512929"	877.23749	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+IsoProp+H"	61.06479
"412615"	847.148888	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+Na+K"	61.952376
"772153"	1255.235238	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+Na+K"	61.952376
"1668848"	439.062538	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Na+K"	61.952376
"263763"	1696.361168	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+ACN+Na"	64.015768
"1237934"	880.188468	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+ACN+Na"	64.015768
"1728429"	880.211993	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+NH4+HCOOH"	64.039293
"1194179"	295.046784666667	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+3Na"	68.967654
"1665399"	885.167388	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Na+HCOOH"	68.994688
"171735"	1709.26444	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+2K-H"	76.91904
"605212"	2525.43714	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+2K-H"	76.91904
"1098960"	893.09174	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2K-H"	76.91904
"156385"	855.135858	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"2M+2K"	77.926316
"594605"	1263.222208	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"3M+2K"	77.926316
"1083133"	447.049508	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2K"	77.926316
"1115535"	895.106292	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2K+H"	78.933592
"1349811"	895.193907	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+DMSO+H"	79.021207
"1020161"	899.233076	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2ACN+H"	83.060376
"1535610"	900.226708	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+IsoProp+Na+H"	84.054008
"995497"	450.120176	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+2ACN+2H"	84.067652
"1599843"	901.141328	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+K+HCOOH"	84.968628
"1425504"	931.172838	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+H+CF3COOH"	115.000138
"1160166"	470.633451	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+3ACN+2H"	125.094202
"1711541"	948.199385	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+NH4+CF3COOH"	132.026685
"1643181"	953.15478	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+Na+CF3COOH"	136.98208
"1584300"	969.12872	"C13503"	"Nitro blue tetrazolium"	"C40H30N10O62Cl"	"816.1727"	"M+K+CF3COOH"	152.95602
"802029"	554.0542	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M"	0
"976171"	535.03581	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-H2O-H"	-19.01839
"65507"	368.362190666667	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M-3H"	-3.021828
"506162"	553.046924	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M-3H"	-3.021828
"887246"	183.677457333333	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-3H"	-3.021828
"4726"	553.046924	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M-2H"	-2.014552
"446478"	830.074024	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M-2H"	-2.014552
"826466"	276.019824	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-2H"	-2.014552
"86455"	1107.101124	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M-H"	-1.007276
"522005"	1661.155324	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M-H"	-1.007276
"907103"	553.046924	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-H"	-1.007276
"57103"	1124.127671	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M-2H+NH4"	16.019271
"499944"	1678.181871	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M-2H+NH4"	16.019271
"878238"	570.073471	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-2H+NH4"	16.019271
"45055"	1129.083066	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M-2H+Na"	20.974666
"485943"	1683.137266	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M-2H+Na"	20.974666
"863585"	575.028866	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-2H+Na"	20.974666
"1632192"	575.028866	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Na-2H"	20.974666
"108717"	571.035263	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M-H+Cl"	33.962126
"545361"	848.062363	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M-H+Cl"	33.962126
"934502"	294.008163	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-H+Cl"	33.962126
"273058"	1143.077802	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+Cl"	34.969402
"665480"	1697.132002	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+Cl"	34.969402
"1282257"	589.023602	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Cl"	34.969402
"21531"	1145.057006	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M-2H+K"	36.948606
"463281"	1699.111206	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M-2H+K"	36.948606
"838895"	591.002806	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-2H+K"	36.948606
"1557278"	591.002806	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+K-2H"	36.948606
"949172"	599.052394	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-H+HCOOH"	44.998194
"362285"	1153.106601	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+HCOOH-H"	44.998201
"347381"	1167.122251	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+Hac-H"	59.013851
"1496092"	613.068051	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Hac-H"	59.013851
"961082"	621.034351	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-H+NaCOOH"	66.980151
"110832"	589.023602	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+2Cl"	69.938804
"551366"	866.050702	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+2Cl"	69.938804
"1021624"	311.996502	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2Cl"	69.938804
"1246682"	632.973085	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Br"	78.918885
"1308038"	635.029072	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Cl+HCOOH"	80.974872
"1324441"	657.011029	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Cl+NaCOOH"	102.956829
"919878"	667.039786	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M-H+CF3COOH"	112.985586
"1299868"	703.016464	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Cl+CF3COOH"	148.962264
"1373653"	519.041524	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H-2H2O"	-35.012676
"1388960"	537.0515	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H-H2O"	-17.0027
"287553"	1109.115676	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+H"	1.007276
"678881"	1663.169876	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+H"	1.007276
"1352063"	555.061476	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H"	1.007276
"127022"	555.061476	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+2H"	2.014552
"567309"	832.088576	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+2H"	2.014552
"1039023"	278.034376	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2H"	2.014552
"204497"	370.376742666667	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+3H"	3.021828
"647221"	555.061476	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+3H"	3.021828
"1165344"	185.692009333333	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+3H"	3.021828
"425090"	1126.142223	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+NH4"	18.033823
"786693"	1680.196423	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+NH4"	18.033823
"1683762"	572.088023	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+NH4"	18.033823
"335320"	563.5747495	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+H+NH4"	19.041099
"727011"	840.6018495	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+H+NH4"	19.041099
"1478642"	286.5476495	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H+NH4"	19.041099
"394037"	1131.097618	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+Na"	22.989218
"755761"	1685.151818	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+Na"	22.989218
"1603859"	577.043418	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Na"	22.989218
"316446"	566.052447	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+H+Na"	23.996494
"709598"	843.079547	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+H+Na"	23.996494
"1463430"	289.025347	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H+Na"	23.996494
"1063239"	193.019323333333	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2H+Na"	25.00377
"1269294"	587.087686	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+CH3OH+H"	33.033486
"389328"	1147.071558	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+K"	38.963158
"754099"	1701.125758	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+K"	38.963158
"1554566"	593.017358	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+K"	38.963158
"313900"	574.039417	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+H+K"	39.970434
"706804"	851.066517	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+H+K"	39.970434
"1460538"	297.012317	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H+K"	39.970434
"251365"	1150.142226	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+ACN+H"	42.033826
"1224400"	596.088026	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+ACN+H"	42.033826
"1206827"	298.547651	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+ACN+2H"	43.041102
"203511"	1153.07956	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+2Na-H"	44.97116
"643517"	1707.13376	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+2Na-H"	44.97116
"1146658"	599.02536	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2Na-H"	44.97116
"186666"	577.043418	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+2Na"	45.978436
"627071"	854.070518	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+2Na"	45.978436
"1129119"	300.016318	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2Na"	45.978436
"1413005"	200.346637333333	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H+2Na"	46.985712
"1441841"	601.066946	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H+HCOOH"	47.012746
"231174"	582.07644	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+3H2O+2H"	56.04448
"1514132"	615.11899	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+IsoProp+H"	61.06479
"413453"	585.030388	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+Na+K"	61.952376
"773719"	862.057488	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+Na+K"	61.952376
"1669686"	308.003288	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Na+K"	61.952376
"263509"	1172.124168	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+ACN+Na"	64.015768
"1238047"	618.069968	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+ACN+Na"	64.015768
"1726204"	618.093493	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+NH4+HCOOH"	64.039293
"1193015"	207.673951333333	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+3Na"	68.967654
"1664860"	623.048888	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Na+HCOOH"	68.994688
"172453"	1185.02744	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+2K-H"	76.91904
"609696"	1739.08164	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+2K-H"	76.91904
"1099805"	630.97324	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2K-H"	76.91904
"156254"	593.017358	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"2M+2K"	77.926316
"593743"	870.044458	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"3M+2K"	77.926316
"1084056"	315.990258	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2K"	77.926316
"1115405"	632.987792	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2K+H"	78.933592
"1350893"	633.075407	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+DMSO+H"	79.021207
"1020638"	637.114576	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2ACN+H"	83.060376
"1535720"	638.108208	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+IsoProp+Na+H"	84.054008
"995607"	319.060926	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+2ACN+2H"	84.067652
"1601046"	639.022828	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+K+HCOOH"	84.968628
"1425614"	669.054338	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+H+CF3COOH"	115.000138
"1160276"	339.574201	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+3ACN+2H"	125.094202
"1711894"	686.080885	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+NH4+CF3COOH"	132.026685
"1643291"	691.03628	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+Na+CF3COOH"	136.98208
"1584410"	707.01022	"C13505"	"Cefsulodin sodium"	"C22H19N4O8S2Na"	"554.0542"	"M+K+CF3COOH"	152.95602
"801898"	641.0864	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M"	0
"975549"	622.06801	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-H2O-H"	-19.01839
"64525"	426.383657333333	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M-3H"	-3.021828
"508460"	640.079124	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M-3H"	-3.021828
"884077"	212.688190666667	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-3H"	-3.021828
"463"	640.079124	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M-2H"	-2.014552
"441478"	960.622324	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M-2H"	-2.014552
"818188"	319.535924	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-2H"	-2.014552
"80367"	1281.165524	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M-H"	-1.007276
"519929"	1922.251924	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M-H"	-1.007276
"907213"	640.079124	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-H"	-1.007276
"61588"	1298.192071	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M-2H+NH4"	16.019271
"501892"	1939.278471	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M-2H+NH4"	16.019271
"879490"	657.105671	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-2H+NH4"	16.019271
"46989"	1303.147466	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M-2H+Na"	20.974666
"483134"	1944.233866	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M-2H+Na"	20.974666
"863823"	662.061066	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-2H+Na"	20.974666
"1631572"	662.061066	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Na-2H"	20.974666
"105909"	658.067463	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M-H+Cl"	33.962126
"546564"	978.610663	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M-H+Cl"	33.962126
"937892"	337.524263	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-H+Cl"	33.962126
"277543"	1317.142202	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+Cl"	34.969402
"669966"	1958.228602	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+Cl"	34.969402
"1282368"	676.055802	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Cl"	34.969402
"19456"	1319.121406	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M-2H+K"	36.948606
"463391"	1960.207806	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M-2H+K"	36.948606
"841193"	678.035006	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-2H+K"	36.948606
"1560306"	678.035006	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+K-2H"	36.948606
"947095"	686.084594	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-H+HCOOH"	44.998194
"362395"	1327.171001	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+HCOOH-H"	44.998201
"345748"	1341.186651	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+Hac-H"	59.013851
"1495838"	700.100251	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Hac-H"	59.013851
"958761"	708.066551	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-H+NaCOOH"	66.980151
"113015"	676.055802	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+2Cl"	69.938804
"551113"	996.599002	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+2Cl"	69.938804
"1032682"	355.512602	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2Cl"	69.938804
"1246793"	720.005285	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Br"	78.918885
"1311431"	722.061272	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Cl+HCOOH"	80.974872
"1329661"	744.043229	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Cl+NaCOOH"	102.956829
"918894"	754.071986	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M-H+CF3COOH"	112.985586
"1298519"	790.048664	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Cl+CF3COOH"	148.962264
"1374855"	606.073724	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H-2H2O"	-35.012676
"1390165"	624.0837	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H-H2O"	-17.0027
"288757"	1283.180076	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+H"	1.007276
"675747"	1924.266476	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+H"	1.007276
"1351690"	642.093676	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H"	1.007276
"130418"	642.093676	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+2H"	2.014552
"567420"	962.636876	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+2H"	2.014552
"1040236"	321.550476	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2H"	2.014552
"204848"	428.398209333333	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+3H"	3.021828
"647695"	642.093676	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+3H"	3.021828
"1165454"	214.702742666667	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+3H"	3.021828
"427636"	1300.206623	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+NH4"	18.033823
"788634"	1941.293023	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+NH4"	18.033823
"1684237"	659.120223	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+NH4"	18.033823
"333974"	650.6069495	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+H+NH4"	19.041099
"727852"	971.1501495	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+H+NH4"	19.041099
"1479115"	330.0637495	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H+NH4"	19.041099
"394883"	1305.162018	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+Na"	22.989218
"754660"	1946.248418	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+Na"	22.989218
"1604335"	664.075618	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Na"	22.989218
"314616"	653.084647	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+H+Na"	23.996494
"707283"	973.627847	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+H+Na"	23.996494
"1464633"	332.541447	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H+Na"	23.996494
"1056787"	222.030056666667	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2H+Na"	25.00377
"1266123"	674.119886	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+CH3OH+H"	33.033486
"389802"	1321.135958	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+K"	38.963158
"753928"	1962.222358	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+K"	38.963158
"1555041"	680.049558	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+K"	38.963158
"314181"	661.071617	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+H+K"	39.970434
"706966"	981.614817	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+H+K"	39.970434
"1459555"	340.528417	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H+K"	39.970434
"250969"	1324.206626	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+ACN+H"	42.033826
"1225456"	683.120226	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+ACN+H"	42.033826
"1209621"	342.063751	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+ACN+2H"	43.041102
"202358"	1327.14396	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+2Na-H"	44.97116
"643013"	1968.23036	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+2Na-H"	44.97116
"1145309"	686.05756	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2Na-H"	44.97116
"187263"	664.075618	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+2Na"	45.978436
"627182"	984.618818	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+2Na"	45.978436
"1126312"	343.532418	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2Na"	45.978436
"1406556"	229.357370666667	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H+2Na"	46.985712
"1435392"	688.099146	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H+HCOOH"	47.012746
"224720"	669.10864	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+3H2O+2H"	56.04448
"1513877"	702.15119	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+IsoProp+H"	61.06479
"412839"	672.062588	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+Na+K"	61.952376
"773467"	992.605788	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+Na+K"	61.952376
"1677106"	351.519388	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Na+K"	61.952376
"266543"	1346.188568	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+ACN+Na"	64.015768
"1241280"	705.102168	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+ACN+Na"	64.015768
"1727409"	705.125693	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+NH4+HCOOH"	64.039293
"1191669"	236.684684666667	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+3Na"	68.967654
"1665090"	710.081088	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Na+HCOOH"	68.994688
"172829"	1359.09184	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+2K-H"	76.91904
"612718"	2000.17824	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+2K-H"	76.91904
"1099713"	718.00544	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2K-H"	76.91904
"156932"	680.049558	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"2M+2K"	77.926316
"595921"	1000.592758	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"3M+2K"	77.926316
"1080676"	359.506358	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2K"	77.926316
"1112791"	720.019992	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2K+H"	78.933592
"1348083"	720.107607	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+DMSO+H"	79.021207
"1018799"	724.146776	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2ACN+H"	83.060376
"1530364"	725.140408	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+IsoProp+Na+H"	84.054008
"1001187"	362.577026	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+2ACN+2H"	84.067652
"1602544"	726.055028	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+K+HCOOH"	84.968628
"1423538"	756.086538	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+H+CF3COOH"	115.000138
"1162579"	383.090301	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+3ACN+2H"	125.094202
"1708846"	773.113085	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+NH4+CF3COOH"	132.026685
"1649602"	778.06848	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+Na+CF3COOH"	136.98208
"1581241"	794.04242	"C13511"	"Ferric gluconate;Ferlixit;Ferrulecit"	"(C6H11O7)3Fe"	"641.0864"	"M+K+CF3COOH"	152.95602
"805046"	101.9145	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M"	0
"975295"	82.89611	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-H2O-H"	-19.01839
"67915"	66.935724	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M-3H"	-3.021828
"509663"	100.907224	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M-3H"	-3.021828
"885280"	32.964224	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-3H"	-3.021828
"3854"	100.907224	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M-2H"	-2.014552
"443410"	151.864474	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M-2H"	-2.014552
"820121"	49.949974	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-2H"	-2.014552
"86673"	202.821724	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M-H"	-1.007276
"525140"	304.736224	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M-H"	-1.007276
"906229"	100.907224	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-H"	-1.007276
"58417"	219.848271	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M-2H+NH4"	16.019271
"495789"	321.762771	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M-2H+NH4"	16.019271
"876511"	117.933771	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-2H+NH4"	16.019271
"47112"	224.803666	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M-2H+Na"	20.974666
"482877"	326.718166	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M-2H+Na"	20.974666
"862871"	122.889166	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-2H+Na"	20.974666
"1633624"	122.889166	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Na-2H"	20.974666
"107841"	118.895563	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M-H+Cl"	33.962126
"548865"	169.852813	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M-H+Cl"	33.962126
"942133"	67.938313	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-H+Cl"	33.962126
"272185"	238.798402	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+Cl"	34.969402
"665700"	340.712902	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+Cl"	34.969402
"1286489"	136.883902	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Cl"	34.969402
"20659"	240.777606	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M-2H+K"	36.948606
"463501"	342.692106	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M-2H+K"	36.948606
"841303"	138.863106	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-2H+K"	36.948606
"1560416"	138.863106	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+K-2H"	36.948606
"947205"	146.912694	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-H+HCOOH"	44.998194
"363234"	248.827201	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+HCOOH-H"	44.998201
"348573"	262.842851	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+Hac-H"	59.013851
"1497041"	160.928351	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Hac-H"	59.013851
"959479"	168.894651	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-H+NaCOOH"	66.980151
"113491"	136.883902	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+2Cl"	69.938804
"553047"	187.841152	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+2Cl"	69.938804
"1032792"	85.926652	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2Cl"	69.938804
"1244716"	180.833385	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Br"	78.918885
"1308625"	182.889372	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Cl+HCOOH"	80.974872
"1330864"	204.871329	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Cl+NaCOOH"	102.956829
"920097"	214.900086	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M-H+CF3COOH"	112.985586
"1298629"	250.876764	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Cl+CF3COOH"	148.962264
"1374965"	66.901824	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H-2H2O"	-35.012676
"1390275"	84.9118	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H-H2O"	-17.0027
"287773"	204.836276	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+H"	1.007276
"675816"	306.750776	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+H"	1.007276
"1351394"	102.921776	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H"	1.007276
"129434"	102.921776	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+2H"	2.014552
"567167"	153.879026	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+2H"	2.014552
"1040337"	51.964526	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2H"	2.014552
"206170"	68.950276	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+3H"	3.021828
"645250"	102.921776	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+3H"	3.021828
"1164465"	34.978776	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+3H"	3.021828
"426654"	221.862823	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+NH4"	18.033823
"788744"	323.777323	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+NH4"	18.033823
"1683618"	119.948323	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+NH4"	18.033823
"332991"	111.4350495	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+H+NH4"	19.041099
"727962"	162.3922995	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+H+NH4"	19.041099
"1478497"	60.4777995	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H+NH4"	19.041099
"394993"	226.818218	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+Na"	22.989218
"756345"	328.732718	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+Na"	22.989218
"1604809"	124.903718	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Na"	22.989218
"315574"	113.912747	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+H+Na"	23.996494
"707160"	164.869997	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+H+Na"	23.996494
"1462678"	62.955497	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H+Na"	23.996494
"1057990"	42.30609	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2H+Na"	25.00377
"1266233"	134.947986	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+CH3OH+H"	33.033486
"390276"	242.792158	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+K"	38.963158
"754169"	344.706658	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+K"	38.963158
"1555151"	140.877658	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+K"	38.963158
"314115"	121.899717	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+H+K"	39.970434
"706935"	172.856967	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+H+K"	39.970434
"1459299"	70.942467	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H+K"	39.970434
"251399"	245.862826	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+ACN+H"	42.033826
"1225314"	143.948326	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+ACN+H"	42.033826
"1209771"	72.477801	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+ACN+2H"	43.041102
"201375"	248.80016	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+2Na-H"	44.97116
"642030"	350.71466	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+2Na-H"	44.97116
"1145782"	146.88566	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2Na-H"	44.97116
"187008"	124.903718	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+2Na"	45.978436
"626206"	175.860968	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+2Na"	45.978436
"1124236"	73.946468	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2Na"	45.978436
"1404479"	49.633404	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H+2Na"	46.985712
"1438782"	148.927246	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H+HCOOH"	47.012746
"224101"	129.93674	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+3H2O+2H"	56.04448
"1513257"	162.97929	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+IsoProp+H"	61.06479
"412949"	132.890688	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+Na+K"	61.952376
"774670"	183.847938	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+Na+K"	61.952376
"1678307"	81.933438	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Na+K"	61.952376
"266656"	267.844768	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+ACN+Na"	64.015768
"1241257"	165.930268	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+ACN+Na"	64.015768
"1728403"	165.953793	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+NH4+HCOOH"	64.039293
"1193848"	56.960718	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+3Na"	68.967654
"1665404"	170.909188	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Na+HCOOH"	68.994688
"172507"	280.74804	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+2K-H"	76.91904
"612636"	382.66254	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+2K-H"	76.91904
"1099850"	178.83354	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2K-H"	76.91904
"156105"	140.877658	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"2M+2K"	77.926316
"596604"	191.834908	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"3M+2K"	77.926316
"1083830"	89.920408	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2K"	77.926316
"1112901"	180.848092	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2K+H"	78.933592
"1348193"	180.935707	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+DMSO+H"	79.021207
"1020612"	184.974876	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2ACN+H"	83.060376
"1532661"	185.968508	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+IsoProp+Na+H"	84.054008
"1001297"	92.991076	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+2ACN+2H"	84.067652
"1602494"	186.883128	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+K+HCOOH"	84.968628
"1421461"	216.914638	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+H+CF3COOH"	115.000138
"1161841"	113.504351	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+3ACN+2H"	125.094202
"1711872"	233.941185	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+NH4+CF3COOH"	132.026685
"1649347"	238.89658	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+Na+CF3COOH"	136.98208
"1581351"	254.87052	"C13515"	"Rubidium hydroxide"	"RbOH"	"101.9145"	"M+K+CF3COOH"	152.95602
"801876"	305.9102	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M"	0
"976497"	286.89181	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-H2O-H"	-19.01839
"69118"	202.932857333333	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M-3H"	-3.021828
"508680"	304.902924	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M-3H"	-3.021828
"885390"	100.962790666667	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-3H"	-3.021828
"3963"	304.902924	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M-2H"	-2.014552
"443522"	457.858024	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M-2H"	-2.014552
"824604"	151.947824	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-2H"	-2.014552
"85690"	610.813124	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M-H"	-1.007276
"521972"	916.723324	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M-H"	-1.007276
"906339"	304.902924	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-H"	-1.007276
"59620"	627.839671	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M-2H+NH4"	16.019271
"493712"	933.749871	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M-2H+NH4"	16.019271
"876621"	321.929471	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-2H+NH4"	16.019271
"46428"	632.795066	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M-2H+Na"	20.974666
"480436"	938.705266	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M-2H+Na"	20.974666
"858971"	326.884866	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-2H+Na"	20.974666
"1624130"	326.884866	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Na-2H"	20.974666
"101752"	322.891263	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M-H+Cl"	33.962126
"548850"	475.846363	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M-H+Cl"	33.962126
"942121"	169.936163	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-H+Cl"	33.962126
"272295"	646.789802	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+Cl"	34.969402
"665810"	952.700002	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+Cl"	34.969402
"1281495"	340.879602	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Cl"	34.969402
"20769"	648.769006	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M-2H+K"	36.948606
"459236"	954.679206	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M-2H+K"	36.948606
"837039"	342.858806	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-2H+K"	36.948606
"1557609"	342.858806	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+K-2H"	36.948606
"943668"	350.908394	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-H+HCOOH"	44.998194
"362976"	656.818601	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+HCOOH-H"	44.998201
"347224"	670.834251	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+Hac-H"	59.013851
"1496785"	364.924051	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Hac-H"	59.013851
"965784"	372.890351	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-H+NaCOOH"	66.980151
"112503"	340.879602	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+2Cl"	69.938804
"552430"	493.834702	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+2Cl"	69.938804
"1032902"	187.924502	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2Cl"	69.938804
"1247014"	384.829085	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Br"	78.918885
"1306548"	386.885072	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Cl+HCOOH"	80.974872
"1332432"	408.867029	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Cl+NaCOOH"	102.956829
"920207"	418.895786	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M-H+CF3COOH"	112.985586
"1294728"	454.872464	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Cl+CF3COOH"	148.962264
"1370335"	270.897524	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H-2H2O"	-35.012676
"1389292"	288.9075	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H-H2O"	-17.0027
"284966"	612.827676	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+H"	1.007276
"677018"	918.737876	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+H"	1.007276
"1352193"	306.917476	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H"	1.007276
"129544"	306.917476	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+2H"	2.014552
"568732"	459.872576	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+2H"	2.014552
"1041539"	153.962376	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2H"	2.014552
"206768"	204.947409333333	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+3H"	3.021828
"645481"	306.917476	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+3H"	3.021828
"1166403"	102.977342666667	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+3H"	3.021828
"428586"	629.854223	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+NH4"	18.033823
"788855"	935.764423	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+NH4"	18.033823
"1685186"	323.944023	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+NH4"	18.033823
"332007"	315.4307495	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+H+NH4"	19.041099
"726978"	468.3858495	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+H+NH4"	19.041099
"1478610"	162.4756495	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H+NH4"	19.041099
"397291"	634.809618	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+Na"	22.989218
"756099"	940.719818	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+Na"	22.989218
"1603587"	328.899418	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Na"	22.989218
"314840"	317.908447	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+H+Na"	23.996494
"707746"	470.863547	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+H+Na"	23.996494
"1462667"	164.953347	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H+Na"	23.996494
"1058101"	110.304656666667	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2H+Na"	25.00377
"1265247"	338.943686	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+CH3OH+H"	33.033486
"391001"	650.783558	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+K"	38.963158
"751019"	956.693758	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+K"	38.963158
"1553437"	344.873358	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+K"	38.963158
"310248"	325.895417	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+H+K"	39.970434
"703401"	478.850517	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+H+K"	39.970434
"1461123"	172.940317	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H+K"	39.970434
"251017"	653.854226	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+ACN+H"	42.033826
"1225455"	347.944026	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+ACN+H"	42.033826
"1209598"	174.475651	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+ACN+2H"	43.041102
"202094"	656.79156	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+2Na-H"	44.97116
"643604"	962.70176	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+2Na-H"	44.97116
"1141274"	350.88136	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2Na-H"	44.97116
"187121"	328.899418	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+2Na"	45.978436
"625461"	481.854518	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+2Na"	45.978436
"1124346"	175.944318	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2Na"	45.978436
"1408963"	117.631970666667	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H+2Na"	46.985712
"1433789"	352.922946	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H+HCOOH"	47.012746
"223121"	333.93244	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+3H2O+2H"	56.04448
"1511184"	366.97499	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+IsoProp+H"	61.06479
"413783"	336.886388	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+Na+K"	61.952376
"774052"	489.841488	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+Na+K"	61.952376
"1678414"	183.931288	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Na+K"	61.952376
"263846"	675.836168	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+ACN+Na"	64.015768
"1239839"	369.925968	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+ACN+Na"	64.015768
"1725442"	369.949493	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+NH4+HCOOH"	64.039293
"1194110"	124.959284666667	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+3Na"	68.967654
"1665472"	374.904888	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Na+HCOOH"	68.994688
"170828"	688.73944	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+2K-H"	76.91904
"610024"	994.64964	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+2K-H"	76.91904
"1092348"	382.82924	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2K-H"	76.91904
"149166"	344.873358	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"2M+2K"	77.926316
"596508"	497.828458	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"3M+2K"	77.926316
"1083939"	191.918258	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2K"	77.926316
"1113011"	384.843792	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2K+H"	78.933592
"1348303"	384.931407	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+DMSO+H"	79.021207
"1020478"	388.970576	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2ACN+H"	83.060376
"1534957"	389.964208	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+IsoProp+Na+H"	84.054008
"999219"	194.988926	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+2ACN+2H"	84.067652
"1595909"	390.878828	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+K+HCOOH"	84.968628
"1419383"	420.910338	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+H+CF3COOH"	115.000138
"1149672"	215.502201	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+3ACN+2H"	125.094202
"1703597"	437.936885	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+NH4+CF3COOH"	132.026685
"1649661"	442.89228	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+Na+CF3COOH"	136.98208
"1581461"	458.86622	"C13522"	"Mitobronitol;Myebrol"	"C6H12Br2O4"	"305.9102"	"M+K+CF3COOH"	152.95602
"802350"	565.1142	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M"	0
"975517"	546.09581	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-H2O-H"	-19.01839
"68135"	375.735524	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M-3H"	-3.021828
"508790"	564.106924	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M-3H"	-3.021828
"881245"	187.364124	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-3H"	-3.021828
"2977"	564.106924	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M-2H"	-2.014552
"443632"	846.664024	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M-2H"	-2.014552
"819250"	281.549824	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-2H"	-2.014552
"82525"	1129.221124	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M-H"	-1.007276
"523179"	1694.335324	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M-H"	-1.007276
"900979"	564.106924	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-H"	-1.007276
"54261"	1146.247671	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M-2H+NH4"	16.019271
"492723"	1711.361871	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M-2H+NH4"	16.019271
"870535"	581.133471	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-2H+NH4"	16.019271
"39530"	1151.203066	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M-2H+Na"	20.974666
"476901"	1716.317266	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M-2H+Na"	20.974666
"855800"	586.088866	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-2H+Na"	20.974666
"1623148"	586.088866	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Na-2H"	20.974666
"98582"	582.095263	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M-H+Cl"	33.962126
"545799"	864.652363	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M-H+Cl"	33.962126
"934942"	299.538163	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-H+Cl"	33.962126
"275687"	1165.197802	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+Cl"	34.969402
"663733"	1730.312002	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+Cl"	34.969402
"1274071"	600.083602	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Cl"	34.969402
"17599"	1167.177006	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M-2H+K"	36.948606
"455802"	1732.291206	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M-2H+K"	36.948606
"833334"	602.062806	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-2H+K"	36.948606
"1555713"	602.062806	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+K-2H"	36.948606
"942834"	610.112394	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-H+HCOOH"	44.998194
"361867"	1175.226601	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+HCOOH-H"	44.998201
"346117"	1189.242251	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+Hac-H"	59.013851
"1494342"	624.128051	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Hac-H"	59.013851
"964801"	632.094351	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-H+NaCOOH"	66.980151
"111521"	600.083602	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+2Cl"	69.938804
"563122"	882.640702	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+2Cl"	69.938804
"1031922"	317.526502	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2Cl"	69.938804
"1254420"	644.033085	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Br"	78.918885
"1317231"	646.089072	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Cl+HCOOH"	80.974872
"1330354"	668.071029	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Cl+NaCOOH"	102.956829
"922504"	678.099786	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M-H+CF3COOH"	112.985586
"1297025"	714.076464	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Cl+CF3COOH"	148.962264
"1368988"	530.101524	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H-2H2O"	-35.012676
"1386120"	548.1115	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H-H2O"	-17.0027
"283619"	1131.235676	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+H"	1.007276
"676765"	1696.349876	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+H"	1.007276
"1363329"	566.121476	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H"	1.007276
"134029"	566.121476	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+2H"	2.014552
"566784"	848.678576	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+2H"	2.014552
"1039834"	283.564376	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2H"	2.014552
"212477"	377.750076	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+3H"	3.021828
"647661"	566.121476	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+3H"	3.021828
"1163595"	189.378676	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+3H"	3.021828
"428694"	1148.262223	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+NH4"	18.033823
"790057"	1713.376423	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+NH4"	18.033823
"1685293"	583.148023	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+NH4"	18.033823
"334665"	574.6347495	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+H+NH4"	19.041099
"727087"	857.1918495	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+H+NH4"	19.041099
"1477989"	292.0776495	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H+NH4"	19.041099
"395213"	1153.217618	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+Na"	22.989218
"756209"	1718.331818	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+Na"	22.989218
"1603452"	588.103418	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Na"	22.989218
"315797"	577.112447	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+H+Na"	23.996494
"710048"	859.669547	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+H+Na"	23.996494
"1468248"	294.555347	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H+Na"	23.996494
"1061494"	196.70599	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2H+Na"	25.00377
"1266454"	598.147686	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+CH3OH+H"	33.033486
"387215"	1169.191558	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+K"	38.963158
"751493"	1734.305758	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+K"	38.963158
"1552820"	604.077358	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+K"	38.963158
"310359"	585.099417	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+H+K"	39.970434
"705710"	867.656517	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+H+K"	39.970434
"1460583"	302.542317	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H+K"	39.970434
"249226"	1172.262226	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+ACN+H"	42.033826
"1224358"	607.148026	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+ACN+H"	42.033826
"1208849"	304.077651	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+ACN+2H"	43.041102
"202204"	1175.19956	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+2Na-H"	44.97116
"638969"	1740.31376	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+2Na-H"	44.97116
"1145759"	610.08536	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2Na-H"	44.97116
"186987"	588.103418	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+2Na"	45.978436
"623138"	870.660518	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+2Na"	45.978436
"1125550"	305.546318	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2Na"	45.978436
"1406885"	204.033304	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H+2Na"	46.985712
"1436814"	612.126946	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H+HCOOH"	47.012746
"224322"	593.13644	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+3H2O+2H"	56.04448
"1511659"	626.17899	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+IsoProp+H"	61.06479
"412439"	596.090388	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+Na+K"	61.952376
"782562"	878.647488	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+Na+K"	61.952376
"1680355"	313.533288	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Na+K"	61.952376
"266960"	1194.244168	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+ACN+Na"	64.015768
"1240313"	629.129968	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+ACN+Na"	64.015768
"1725797"	629.153493	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+NH4+HCOOH"	64.039293
"1193458"	211.360618	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+3Na"	68.967654
"1664079"	634.108888	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Na+HCOOH"	68.994688
"171183"	1207.14744	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+2K-H"	76.91904
"611715"	1772.26164	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+2K-H"	76.91904
"1091364"	642.03324	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2K-H"	76.91904
"147089"	604.077358	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"2M+2K"	77.926316
"596744"	886.634458	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"3M+2K"	77.926316
"1077727"	321.520258	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2K"	77.926316
"1113122"	644.047792	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2K+H"	78.933592
"1349387"	644.135407	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+DMSO+H"	79.021207
"1021077"	648.174576	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2ACN+H"	83.060376
"1535069"	649.168208	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+IsoProp+Na+H"	84.054008
"1001517"	324.590926	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+2ACN+2H"	84.067652
"1597113"	650.082828	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+K+HCOOH"	84.968628
"1418400"	680.114338	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+H+CF3COOH"	115.000138
"1155250"	345.104201	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+3ACN+2H"	125.094202
"1697386"	697.140885	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+NH4+CF3COOH"	132.026685
"1649203"	702.09628	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+Na+CF3COOH"	136.98208
"1581571"	718.07022	"C13524"	"Prochlorperazine mesylate;Prochlorperazine mesilate;Novamin;Prochlorperazine methanesulfonate"	"C20H24ClN3S(CH4SO3)2"	"565.1142"	"M+K+CF3COOH"	152.95602
"802460"	862.1956	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M"	0
"975987"	843.17721	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-H2O-H"	-19.01839
"64965"	573.789790666667	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M-3H"	-3.021828
"508900"	861.188324	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M-3H"	-3.021828
"883420"	286.391257333333	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-3H"	-3.021828
"3086"	861.188324	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M-2H"	-2.014552
"443014"	1292.286124	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M-2H"	-2.014552
"822640"	430.090524	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-2H"	-2.014552
"82635"	1723.383924	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M-H"	-1.007276
"524382"	2585.579524	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M-H"	-1.007276
"901089"	861.188324	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-H"	-1.007276
"56557"	1740.410471	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M-2H+NH4"	16.019271
"492105"	2602.606071	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M-2H+NH4"	16.019271
"869552"	878.214871	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-2H+NH4"	16.019271
"40733"	1745.365866	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M-2H+Na"	20.974666
"478104"	2607.561466	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M-2H+Na"	20.974666
"855910"	883.170266	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-2H+Na"	20.974666
"1622165"	883.170266	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Na-2H"	20.974666
"97599"	879.176663	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M-H+Cl"	33.962126
"539347"	1310.274463	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M-H+Cl"	33.962126
"933956"	448.078863	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-H+Cl"	33.962126
"279077"	1759.360602	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+Cl"	34.969402
"663843"	2621.556202	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+Cl"	34.969402
"1275153"	897.165002	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Cl"	34.969402
"18802"	1761.339806	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M-2H+K"	36.948606
"456048"	2623.535406	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M-2H+K"	36.948606
"833363"	899.144206	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-2H+K"	36.948606
"1556241"	899.144206	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+K-2H"	36.948606
"943273"	907.193794	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-H+HCOOH"	44.998194
"362582"	1769.389401	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+HCOOH-H"	44.998201
"349994"	1783.405051	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+Hac-H"	59.013851
"1497732"	921.209451	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Hac-H"	59.013851
"963817"	929.175751	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-H+NaCOOH"	66.980151
"113453"	897.165002	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+2Cl"	69.938804
"563232"	1328.262802	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+2Cl"	69.938804
"1032032"	466.067202	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2Cl"	69.938804
"1254895"	941.114485	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Br"	78.918885
"1317341"	943.170472	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Cl+HCOOH"	80.974872
"1330464"	965.152429	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Cl+NaCOOH"	102.956829
"922614"	975.181186	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M-H+CF3COOH"	112.985586
"1297135"	1011.157864	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Cl+CF3COOH"	148.962264
"1369462"	827.182924	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H-2H2O"	-35.012676
"1387687"	845.1929	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H-H2O"	-17.0027
"284455"	1725.398476	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+H"	1.007276
"676874"	2587.594076	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+H"	1.007276
"1354325"	863.202876	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H"	1.007276
"126846"	863.202876	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+2H"	2.014552
"566161"	1294.300676	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+2H"	2.014552
"1037754"	432.105076	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2H"	2.014552
"205653"	575.804342666667	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+3H"	3.021828
"645581"	863.202876	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+3H"	3.021828
"1163014"	288.405809333333	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+3H"	3.021828
"426980"	1742.425023	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+NH4"	18.033823
"789436"	2604.620623	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+NH4"	18.033823
"1683943"	880.229423	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+NH4"	18.033823
"333316"	871.7161495	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+H+NH4"	19.041099
"727197"	1302.8139495	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+H+NH4"	19.041099
"1478098"	440.6183495	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H+NH4"	19.041099
"393066"	1747.380418	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+Na"	22.989218
"755590"	2609.576018	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+Na"	22.989218
"1603190"	885.184818	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Na"	22.989218
"314692"	874.193847	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+H+Na"	23.996494
"707355"	1305.291647	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+H+Na"	23.996494
"1468358"	443.096047	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H+Na"	23.996494
"1058322"	295.733123333333	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2H+Na"	25.00377
"1263284"	895.229086	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+CH3OH+H"	33.033486
"385138"	1763.354358	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+K"	38.963158
"746136"	2625.549958	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+K"	38.963158
"1554386"	901.158758	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+K"	38.963158
"310833"	882.180817	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+H+K"	39.970434
"706542"	1313.278617	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+H+K"	39.970434
"1460610"	451.083017	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H+K"	39.970434
"250792"	1766.425026	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+ACN+H"	42.033826
"1223737"	904.229426	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+ACN+H"	42.033826
"1209324"	452.618351	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+ACN+2H"	43.041102
"202678"	1769.36236	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+2Na-H"	44.97116
"637986"	2631.55796	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+2Na-H"	44.97116
"1143678"	907.16676	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2Na-H"	44.97116
"186730"	885.184818	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+2Na"	45.978436
"625437"	1316.282618	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+2Na"	45.978436
"1125659"	454.087018	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2Na"	45.978436
"1405901"	303.060437333333	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H+2Na"	46.985712
"1435830"	909.208346	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H+HCOOH"	47.012746
"223340"	890.21784	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+3H2O+2H"	56.04448
"1511405"	923.26039	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+IsoProp+H"	61.06479
"411456"	893.171788	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+Na+K"	61.952376
"781941"	1324.269588	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+Na+K"	61.952376
"1679246"	462.073988	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Na+K"	61.952376
"262604"	1788.406968	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+ACN+Na"	64.015768
"1239686"	926.211368	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+ACN+Na"	64.015768
"1727479"	926.234893	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+NH4+HCOOH"	64.039293
"1182993"	310.387751333333	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+3Na"	68.967654
"1663821"	931.190288	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Na+HCOOH"	68.994688
"168496"	1801.31024	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+2K-H"	76.91904
"606962"	2663.50584	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+2K-H"	76.91904
"1087102"	939.11464	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2K-H"	76.91904
"143919"	901.158758	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"2M+2K"	77.926316
"596817"	1332.256558	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"3M+2K"	77.926316
"1081117"	470.060958	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2K"	77.926316
"1114692"	941.129192	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2K+H"	78.933592
"1348524"	941.216807	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+DMSO+H"	79.021207
"1020700"	945.255976	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2ACN+H"	83.060376
"1535179"	946.249608	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+IsoProp+Na+H"	84.054008
"1000534"	473.131626	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+2ACN+2H"	84.067652
"1598316"	947.164228	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+K+HCOOH"	84.968628
"1418510"	977.195738	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+H+CF3COOH"	115.000138
"1155360"	493.644901	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+3ACN+2H"	125.094202
"1697741"	994.222285	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+NH4+CF3COOH"	132.026685
"1649192"	999.17768	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+Na+CF3COOH"	136.98208
"1581681"	1015.15162	"C13526"	"Sennoside B"	"C42H38O20"	"862.1956"	"M+K+CF3COOH"	152.95602
"802206"	257.0819	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M"	0
"975369"	238.06351	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-H2O-H"	-19.01839
"66168"	170.380657333333	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M-3H"	-3.021828
"509010"	256.074624	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M-3H"	-3.021828
"884625"	84.6866906666667	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-3H"	-3.021828
"3199"	256.074624	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M-2H"	-2.014552
"442761"	384.615574	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M-2H"	-2.014552
"828217"	127.533674	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-2H"	-2.014552
"86022"	513.156524	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M-H"	-1.007276
"526673"	770.238424	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M-H"	-1.007276
"900105"	256.074624	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-H"	-1.007276
"51198"	530.183071	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M-2H+NH4"	16.019271
"491850"	787.264971	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M-2H+NH4"	16.019271
"869657"	273.101171	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-2H+NH4"	16.019271
"35368"	535.138466	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M-2H+Na"	20.974666
"478211"	792.220366	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M-2H+Na"	20.974666
"854926"	278.056566	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-2H+Na"	20.974666
"1624461"	278.056566	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Na-2H"	20.974666
"97708"	274.062963	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M-H+Cl"	33.962126
"539457"	402.603913	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M-H+Cl"	33.962126
"934066"	145.522013	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-H+Cl"	33.962126
"278093"	549.133202	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+Cl"	34.969402
"667233"	806.215102	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+Cl"	34.969402
"1275263"	292.051302	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Cl"	34.969402
"17089"	551.112406	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M-2H+K"	36.948606
"456765"	808.194306	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M-2H+K"	36.948606
"833715"	294.030506	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-2H+K"	36.948606
"1556471"	294.030506	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+K-2H"	36.948606
"943869"	302.080094	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-H+HCOOH"	44.998194
"363305"	559.162001	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+HCOOH-H"	44.998201
"348281"	573.177651	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+Hac-H"	59.013851
"1495655"	316.095751	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Hac-H"	59.013851
"965020"	324.062051	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-H+NaCOOH"	66.980151
"113199"	292.051302	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+2Cl"	69.938804
"561156"	420.592252	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+2Cl"	69.938804
"1029955"	163.510352	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2Cl"	69.938804
"1247347"	336.000785	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Br"	78.918885
"1309794"	338.056772	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Cl+HCOOH"	80.974872
"1327293"	360.038729	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Cl+NaCOOH"	102.956829
"919444"	370.067486	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M-H+CF3COOH"	112.985586
"1293964"	406.044164	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Cl+CF3COOH"	148.962264
"1367385"	222.069224	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H-2H2O"	-35.012676
"1387068"	240.0792	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H-H2O"	-17.0027
"284565"	515.171076	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+H"	1.007276
"677712"	772.252976	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+H"	1.007276
"1353707"	258.089176	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H"	1.007276
"126833"	258.089176	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+2H"	2.014552
"567967"	386.630126	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+2H"	2.014552
"1038348"	129.548226	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2H"	2.014552
"207951"	172.395209333333	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+3H"	3.021828
"646055"	258.089176	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+3H"	3.021828
"1163207"	86.7012426666667	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+3H"	3.021828
"426726"	532.197623	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+NH4"	18.033823
"788818"	789.279523	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+NH4"	18.033823
"1684417"	275.115723	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+NH4"	18.033823
"331969"	266.6024495	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+H+NH4"	19.041099
"725484"	395.1433995	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+H+NH4"	19.041099
"1477601"	138.0614995	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H+NH4"	19.041099
"395433"	537.153018	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+Na"	22.989218
"757522"	794.234918	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+Na"	22.989218
"1603065"	280.071118	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Na"	22.989218
"315170"	269.080147	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+H+Na"	23.996494
"707834"	397.621097	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+H+Na"	23.996494
"1470290"	140.539197	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H+Na"	23.996494
"1056242"	94.0285566666667	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2H+Na"	25.00377
"1265580"	290.115386	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+CH3OH+H"	33.033486
"386341"	553.126958	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+K"	38.963158
"746244"	810.208858	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+K"	38.963158
"1550486"	296.045058	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+K"	38.963158
"305475"	277.067117	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+H+K"	39.970434
"705923"	405.608067	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+H+K"	39.970434
"1461122"	148.526167	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H+K"	39.970434
"251224"	556.197626	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+ACN+H"	42.033826
"1225310"	299.115726	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+ACN+H"	42.033826
"1209816"	150.061501	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+ACN+2H"	43.041102
"203638"	559.13496	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+2Na-H"	44.97116
"641376"	816.21686	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+2Na-H"	44.97116
"1146787"	302.05306	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2Na-H"	44.97116
"187812"	280.071118	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+2Na"	45.978436
"625182"	408.612068	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+2Na"	45.978436
"1129781"	151.530168	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2Na"	45.978436
"1407104"	101.355870666667	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H+2Na"	46.985712
"1437034"	304.094646	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H+HCOOH"	47.012746
"224177"	285.10414	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+3H2O+2H"	56.04448
"1511511"	318.14669	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+IsoProp+H"	61.06479
"414481"	288.058088	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+Na+K"	61.952376
"782780"	416.599038	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+Na+K"	61.952376
"1676194"	159.517138	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Na+K"	61.952376
"258341"	578.179568	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+ACN+Na"	64.015768
"1229956"	321.097668	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+ACN+Na"	64.015768
"1716655"	321.121193	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+NH4+HCOOH"	64.039293
"1183102"	108.683184666667	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+3Na"	68.967654
"1660651"	326.076588	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Na+HCOOH"	68.994688
"166419"	591.08284	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+2K-H"	76.91904
"600511"	848.16474	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+2K-H"	76.91904
"1087212"	334.00094	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2K-H"	76.91904
"144029"	296.045058	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"2M+2K"	77.926316
"596719"	424.586008	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"3M+2K"	77.926316
"1081227"	167.504108	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2K"	77.926316
"1114317"	336.015492	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2K+H"	78.933592
"1349243"	336.103107	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+DMSO+H"	79.021207
"1020892"	340.142276	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2ACN+H"	83.060376
"1537355"	341.135908	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+IsoProp+Na+H"	84.054008
"1000644"	170.574776	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+2ACN+2H"	84.067652
"1599520"	342.050528	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+K+HCOOH"	84.968628
"1418620"	372.082038	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+H+CF3COOH"	115.000138
"1155470"	191.088051	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+3ACN+2H"	125.094202
"1702833"	389.108585	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+NH4+CF3COOH"	132.026685
"1643955"	394.06398	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+Na+CF3COOH"	136.98208
"1581791"	410.03792	"C13534"	"Hydrocotarnine hydrochloride"	"C12H15NO3HCl"	"257.0819"	"M+K+CF3COOH"	152.95602
"802316"	635.1704	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M"	0
"974912"	616.15201	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-H2O-H"	-19.01839
"66278"	422.439657333333	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M-3H"	-3.021828
"509120"	634.163124	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M-3H"	-3.021828
"881576"	210.716190666667	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-3H"	-3.021828
"4400"	634.163124	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M-2H"	-2.014552
"441778"	951.748324	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M-2H"	-2.014552
"823954"	316.577924	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-2H"	-2.014552
"83944"	1269.333524	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M-H"	-1.007276
"525690"	1904.503924	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M-H"	-1.007276
"896935"	634.163124	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-H"	-1.007276
"51308"	1286.360071	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M-2H+NH4"	16.019271
"493053"	1921.530471	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M-2H+NH4"	16.019271
"873047"	651.189671	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-2H+NH4"	16.019271
"36573"	1291.315466	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M-2H+Na"	20.974666
"478320"	1926.485866	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M-2H+Na"	20.974666
"857222"	656.145066	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-2H+Na"	20.974666
"1622384"	656.145066	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Na-2H"	20.974666
"100004"	652.151463	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M-H+Cl"	33.962126
"540660"	969.736663	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M-H+Cl"	33.962126
"935269"	334.566263	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-H+Cl"	33.962126
"279296"	1305.310202	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+Cl"	34.969402
"667343"	1940.480602	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+Cl"	34.969402
"1278653"	670.139802	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Cl"	34.969402
"20116"	1307.289406	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M-2H+K"	36.948606
"455766"	1942.459806	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M-2H+K"	36.948606
"833097"	672.119006	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-2H+K"	36.948606
"1556216"	672.119006	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+K-2H"	36.948606
"943494"	680.168594	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-H+HCOOH"	44.998194
"362685"	1315.339001	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+HCOOH-H"	44.998201
"348026"	1329.354651	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+Hac-H"	59.013851
"1495765"	694.184251	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Hac-H"	59.013851
"959658"	702.150551	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-H+NaCOOH"	66.980151
"111727"	670.139802	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+2Cl"	69.938804
"556159"	987.725002	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+2Cl"	69.938804
"1030063"	352.554602	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2Cl"	69.938804
"1248550"	714.089285	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Br"	78.918885
"1310998"	716.145272	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Cl+HCOOH"	80.974872
"1329589"	738.127229	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Cl+NaCOOH"	102.956829
"921376"	748.155986	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M-H+CF3COOH"	112.985586
"1294074"	784.132664	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Cl+CF3COOH"	148.962264
"1367737"	600.157724	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H-2H2O"	-35.012676
"1385355"	618.1677	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H-H2O"	-17.0027
"283217"	1271.348076	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+H"	1.007276
"676001"	1906.518476	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+H"	1.007276
"1355274"	636.177676	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H"	1.007276
"127797"	636.177676	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+2H"	2.014552
"566382"	953.762876	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+2H"	2.014552
"1038339"	318.592476	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2H"	2.014552
"208061"	424.454209333333	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+3H"	3.021828
"646895"	636.177676	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+3H"	3.021828
"1163319"	212.730742666667	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+3H"	3.021828
"427568"	1288.374623	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+NH4"	18.033823
"790387"	1923.545023	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+NH4"	18.033823
"1683435"	653.204223	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+NH4"	18.033823
"332079"	644.6909495	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+H+NH4"	19.041099
"726324"	962.2761495	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+H+NH4"	19.041099
"1477347"	327.1057495	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H+NH4"	19.041099
"398823"	1293.330018	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+Na"	22.989218
"758725"	1928.500418	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+Na"	22.989218
"1606824"	658.159618	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Na"	22.989218
"315037"	647.168647	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+H+Na"	23.996494
"710376"	964.753847	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+H+Na"	23.996494
"1468575"	329.583447	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H+Na"	23.996494
"1055258"	220.058056666667	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2H+Na"	25.00377
"1263503"	668.203886	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+CH3OH+H"	33.033486
"379890"	1309.303958	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+K"	38.963158
"744167"	1944.474358	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+K"	38.963158
"1550595"	674.133558	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+K"	38.963158
"307771"	655.155617	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+H+K"	39.970434
"704940"	972.740817	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+H+K"	39.970434
"1460460"	337.570417	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H+K"	39.970434
"249910"	1312.374626	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+ACN+H"	42.033826
"1224075"	677.204226	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+ACN+H"	42.033826
"1204679"	339.105751	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+ACN+2H"	43.041102
"198642"	1315.31196	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+2Na-H"	44.97116
"639301"	1950.48236	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+2Na-H"	44.97116
"1143899"	680.14156	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2Na-H"	44.97116
"183911"	658.159618	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+2Na"	45.978436
"623469"	975.744818	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+2Na"	45.978436
"1126974"	340.574418	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2Na"	45.978436
"1407215"	227.385370666667	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H+2Na"	46.985712
"1433863"	682.183146	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H+HCOOH"	47.012746
"224286"	663.19264	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+3H2O+2H"	56.04448
"1510528"	696.23519	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+IsoProp+H"	61.06479
"413498"	666.146588	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+Na+K"	61.952376
"784350"	983.731788	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+Na+K"	61.952376
"1678127"	348.561388	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Na+K"	61.952376
"260637"	1334.356568	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+ACN+Na"	64.015768
"1236626"	699.186168	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+ACN+Na"	64.015768
"1723325"	699.209693	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+NH4+HCOOH"	64.039293
"1186493"	234.712684666667	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+3Na"	68.967654
"1660761"	704.165088	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Na+HCOOH"	68.994688
"162154"	1347.25984	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+2K-H"	76.91904
"601714"	1982.43024	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+2K-H"	76.91904
"1087322"	712.08944	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2K-H"	76.91904
"145232"	674.133558	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"2M+2K"	77.926316
"596670"	991.718758	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"3M+2K"	77.926316
"1083282"	356.548358	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2K"	77.926316
"1115034"	714.103992	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2K+H"	78.933592
"1350325"	714.191607	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+DMSO+H"	79.021207
"1020799"	718.230776	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2ACN+H"	83.060376
"1536492"	719.224408	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+IsoProp+Na+H"	84.054008
"999660"	359.619026	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+2ACN+2H"	84.067652
"1598536"	720.139028	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+K+HCOOH"	84.968628
"1418730"	750.170538	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+H+CF3COOH"	115.000138
"1155580"	380.132301	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+3ACN+2H"	125.094202
"1702943"	767.197085	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+NH4+CF3COOH"	132.026685
"1644065"	772.15248	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+Na+CF3COOH"	136.98208
"1581901"	788.12642	"C13540"	"Perphenazine maleate"	"C21H26ClN3OS(C4H4O4)2"	"635.1704"	"M+K+CF3COOH"	152.95602
"805706"	380.153	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M"	0
"975956"	361.13461	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-H2O-H"	-19.01839
"66388"	252.428057333333	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M-3H"	-3.021828
"508137"	379.145724	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M-3H"	-3.021828
"889220"	125.710390666667	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-3H"	-3.021828
"3417"	379.145724	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M-2H"	-2.014552
"444071"	569.222224	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M-2H"	-2.014552
"819690"	189.069224	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-2H"	-2.014552
"82962"	759.298724	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M-H"	-1.007276
"523612"	1139.451724	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M-H"	-1.007276
"899595"	379.145724	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-H"	-1.007276
"52510"	776.325271	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M-2H+NH4"	16.019271
"489884"	1156.478271	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M-2H+NH4"	16.019271
"872064"	396.172271	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-2H+NH4"	16.019271
"36684"	781.280666	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M-2H+Na"	20.974666
"478431"	1161.433666	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M-2H+Na"	20.974666
"858425"	401.127666	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-2H+Na"	20.974666
"1623587"	401.127666	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Na-2H"	20.974666
"97928"	397.134063	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M-H+Cl"	33.962126
"539677"	587.210563	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M-H+Cl"	33.962126
"935379"	207.057563	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-H+Cl"	33.962126
"279406"	795.275402	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+Cl"	34.969402
"666360"	1175.428402	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+Cl"	34.969402
"1276941"	415.122402	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Cl"	34.969402
"19133"	797.254606	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M-2H+K"	36.948606
"455804"	1177.407606	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M-2H+K"	36.948606
"833001"	417.101606	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-2H+K"	36.948606
"1556001"	417.101606	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+K-2H"	36.948606
"942998"	425.151194	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-H+HCOOH"	44.998194
"363160"	805.304201	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+HCOOH-H"	44.998201
"348137"	819.319851	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+Hac-H"	59.013851
"1493199"	439.166851	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Hac-H"	59.013851
"958799"	447.133151	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-H+NaCOOH"	66.980151
"114147"	415.122402	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+2Cl"	69.938804
"556269"	605.198902	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+2Cl"	69.938804
"1029080"	225.045902	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2Cl"	69.938804
"1243553"	459.071885	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Br"	78.918885
"1306732"	461.127872	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Cl+HCOOH"	80.974872
"1324229"	483.109829	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Cl+NaCOOH"	102.956829
"916746"	493.138586	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M-H+CF3COOH"	112.985586
"1294184"	529.115264	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Cl+CF3COOH"	148.962264
"1367847"	345.140324	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H-2H2O"	-35.012676
"1383274"	363.1503	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H-H2O"	-17.0027
"283080"	761.313276	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+H"	1.007276
"676840"	1141.466276	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+H"	1.007276
"1356113"	381.160276	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H"	1.007276
"127907"	381.160276	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+2H"	2.014552
"567466"	571.236776	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+2H"	2.014552
"1038207"	191.083776	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2H"	2.014552
"205986"	254.442609333333	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+3H"	3.021828
"645548"	381.160276	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+3H"	3.021828
"1164036"	127.724942666667	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+3H"	3.021828
"426583"	778.339823	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+NH4"	18.033823
"788311"	1158.492823	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+NH4"	18.033823
"1682453"	398.186823	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+NH4"	18.033823
"331460"	389.6735495	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+H+NH4"	19.041099
"725341"	579.7500495	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+H+NH4"	19.041099
"1478430"	199.5970495	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H+NH4"	19.041099
"398933"	783.295218	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+Na"	22.989218
"757743"	1163.448218	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+Na"	22.989218
"1606934"	403.142218	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Na"	22.989218
"316971"	392.151247	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+H+Na"	23.996494
"711580"	582.227747	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+H+Na"	23.996494
"1465403"	202.074747	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H+Na"	23.996494
"1057555"	135.052256666667	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2H+Na"	25.00377
"1262520"	413.186486	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+CH3OH+H"	33.033486
"380364"	799.269158	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+K"	38.963158
"743184"	1179.422158	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+K"	38.963158
"1550705"	419.116158	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+K"	38.963158
"304601"	400.138217	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+H+K"	39.970434
"704320"	590.214717	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+H+K"	39.970434
"1458504"	210.061717	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H+K"	39.970434
"249656"	802.339826	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+ACN+H"	42.033826
"1221634"	422.186826	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+ACN+H"	42.033826
"1203695"	211.597051	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+ACN+2H"	43.041102
"200576"	805.27716	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+2Na-H"	44.97116
"637223"	1185.43016	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+2Na-H"	44.97116
"1141823"	425.12416	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2Na-H"	44.97116
"180377"	403.142218	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+2Na"	45.978436
"620300"	593.218718	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+2Na"	45.978436
"1124171"	213.065718	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2Na"	45.978436
"1407324"	142.379570666667	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H+2Na"	46.985712
"1435067"	427.165746	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H+HCOOH"	47.012746
"222939"	408.17524	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+3H2O+2H"	56.04448
"1510274"	441.21779	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+IsoProp+H"	61.06479
"410324"	411.129188	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+Na+K"	61.952376
"782269"	601.205688	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+Na+K"	61.952376
"1674226"	221.052688	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Na+K"	61.952376
"258562"	824.321768	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+ACN+Na"	64.015768
"1229080"	444.168768	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+ACN+Na"	64.015768
"1716876"	444.192293	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+NH4+HCOOH"	64.039293
"1186603"	149.706884666667	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+3Na"	68.967654
"1652124"	449.147688	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Na+HCOOH"	68.994688
"161170"	837.22504	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+2K-H"	76.91904
"599150"	1217.37804	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+2K-H"	76.91904
"1085486"	457.07204	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2K-H"	76.91904
"144613"	419.116158	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"2M+2K"	77.926316
"595475"	609.192658	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"3M+2K"	77.926316
"1081083"	229.039658	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2K"	77.926316
"1113562"	459.086592	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2K+H"	78.933592
"1350070"	459.174207	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+DMSO+H"	79.021207
"1020178"	463.213376	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2ACN+H"	83.060376
"1535509"	464.207008	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+IsoProp+Na+H"	84.054008
"998677"	232.110326	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+2ACN+2H"	84.067652
"1600833"	465.121628	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+K+HCOOH"	84.968628
"1418840"	495.153138	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+H+CF3COOH"	115.000138
"1155690"	252.623601	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+3ACN+2H"	125.094202
"1699773"	512.179685	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+NH4+CF3COOH"	132.026685
"1647455"	517.13508	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+Na+CF3COOH"	136.98208
"1582011"	533.10902	"C13542"	"Lactitol dihydrate"	"C12H24O112H2O"	"380.153"	"M+K+CF3COOH"	152.95602
"805816"	286.0621	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M"	0
"977160"	267.04371	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-H2O-H"	-19.01839
"67591"	189.700790666667	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M-3H"	-3.021828
"510434"	285.054824	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M-3H"	-3.021828
"892976"	94.3467573333333	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-3H"	-3.021828
"6809"	285.054824	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M-2H"	-2.014552
"445277"	428.085874	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M-2H"	-2.014552
"824173"	142.023774	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-2H"	-2.014552
"87444"	571.116924	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M-H"	-1.007276
"528096"	857.179024	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M-H"	-1.007276
"902621"	285.054824	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-H"	-1.007276
"53715"	588.143471	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M-2H+NH4"	16.019271
"492182"	874.205571	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M-2H+NH4"	16.019271
"869988"	302.081371	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-2H+NH4"	16.019271
"36794"	593.098866	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M-2H+Na"	20.974666
"477449"	879.160966	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M-2H+Na"	20.974666
"858536"	307.036766	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-2H+Na"	20.974666
"1623697"	307.036766	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Na-2H"	20.974666
"96945"	303.043163	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M-H+Cl"	33.962126
"540880"	446.074213	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M-H+Cl"	33.962126
"935489"	160.012113	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-H+Cl"	33.962126
"279516"	607.093602	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+Cl"	34.969402
"666470"	893.155702	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+Cl"	34.969402
"1276687"	321.031502	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Cl"	34.969402
"20338"	609.072806	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M-2H+K"	36.948606
"458803"	895.134906	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M-2H+K"	36.948606
"836969"	323.010706	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-2H+K"	36.948606
"1556446"	323.010706	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+K-2H"	36.948606
"945057"	331.060294	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-H+HCOOH"	44.998194
"364366"	617.122401	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+HCOOH-H"	44.998201
"347153"	631.138051	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+Hac-H"	59.013851
"1495985"	345.075951	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Hac-H"	59.013851
"959881"	353.042251	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-H+NaCOOH"	66.980151
"112799"	321.031502	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+2Cl"	69.938804
"551634"	464.062552	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+2Cl"	69.938804
"1023715"	178.000452	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2Cl"	69.938804
"1245121"	364.980985	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Br"	78.918885
"1309029"	367.036972	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Cl+HCOOH"	80.974872
"1324339"	389.018929	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Cl+NaCOOH"	102.956829
"915763"	399.047686	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M-H+CF3COOH"	112.985586
"1289189"	435.024364	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Cl+CF3COOH"	148.962264
"1367751"	251.049424	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H-2H2O"	-35.012676
"1383387"	269.0594	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H-H2O"	-17.0027
"283802"	573.131476	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+H"	1.007276
"676950"	859.193576	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+H"	1.007276
"1354034"	287.069376	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H"	1.007276
"128017"	287.069376	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+2H"	2.014552
"567211"	430.100426	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+2H"	2.014552
"1039291"	144.038326	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2H"	2.014552
"207921"	191.715342666667	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+3H"	3.021828
"648576"	287.069376	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+3H"	3.021828
"1164515"	96.3613093333333	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+3H"	3.021828
"430705"	590.158023	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+NH4"	18.033823
"792794"	876.220123	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+NH4"	18.033823
"1686937"	304.095923	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+NH4"	18.033823
"337403"	295.5826495	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+H+NH4"	19.041099
"730918"	438.6136995	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+H+NH4"	19.041099
"1482551"	152.5515995	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H+NH4"	19.041099
"400139"	595.113418	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+Na"	22.989218
"756761"	881.175518	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+Na"	22.989218
"1612512"	309.051318	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Na"	22.989218
"320362"	298.060347	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+H+Na"	23.996494
"717158"	441.091397	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+H+Na"	23.996494
"1464420"	155.029297	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H+Na"	23.996494
"1057664"	103.688623333333	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2H+Na"	25.00377
"1262630"	319.095586	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+CH3OH+H"	33.033486
"384483"	611.087358	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+K"	38.963158
"744388"	897.149458	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+K"	38.963158
"1551909"	325.025258	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+K"	38.963158
"312856"	306.047317	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+H+K"	39.970434
"705523"	449.078367	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+H+K"	39.970434
"1459829"	163.016267	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H+K"	39.970434
"249888"	614.158026	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+ACN+H"	42.033826
"1225028"	328.095926	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+ACN+H"	42.033826
"1207087"	164.551601	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+ACN+2H"	43.041102
"200686"	617.09536	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+2Na-H"	44.97116
"640615"	903.15746	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+2Na-H"	44.97116
"1144486"	331.03326	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2Na-H"	44.97116
"177570"	309.051318	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+2Na"	45.978436
"622231"	452.082368	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+2Na"	45.978436
"1127198"	166.020268	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2Na"	45.978436
"1407802"	111.015937333333	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H+2Na"	46.985712
"1436271"	333.074846	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H+HCOOH"	47.012746
"224872"	314.08434	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+3H2O+2H"	56.04448
"1511111"	347.12689	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+IsoProp+H"	61.06479
"412623"	317.038288	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+Na+K"	61.952376
"782015"	460.069338	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+Na+K"	61.952376
"1676522"	174.007238	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Na+K"	61.952376
"261952"	636.139968	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+ACN+Na"	64.015768
"1231378"	350.077868	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+ACN+Na"	64.015768
"1716986"	350.101393	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+NH4+HCOOH"	64.039293
"1186713"	118.343251333333	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+3Na"	68.967654
"1652962"	355.056788	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Na+HCOOH"	68.994688
"162374"	649.04324	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+2K-H"	76.91904
"606307"	935.10534	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+2K-H"	76.91904
"1086082"	362.98114	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2K-H"	76.91904
"144359"	325.025258	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"2M+2K"	77.926316
"595587"	468.056308	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"3M+2K"	77.926316
"1077183"	181.994208	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2K"	77.926316
"1113430"	364.995692	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2K+H"	78.933592
"1349451"	365.083307	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+DMSO+H"	79.021207
"1015304"	369.122476	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2ACN+H"	83.060376
"1530152"	370.116108	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+IsoProp+Na+H"	84.054008
"996600"	185.064876	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+2ACN+2H"	84.067652
"1596569"	371.030728	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+K+HCOOH"	84.968628
"1422230"	401.062238	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+H+CF3COOH"	115.000138
"1159080"	205.578151	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+3ACN+2H"	125.094202
"1700976"	418.088785	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+NH4+CF3COOH"	132.026685
"1646472"	423.04418	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+Na+CF3COOH"	136.98208
"1582121"	439.01812	"C13546"	"Olprinone hydrochloride;E 1020"	"C14H10N4OHCl"	"286.0621"	"M+K+CF3COOH"	152.95602
"811394"	516.2532	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M"	0
"977270"	497.23481	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-H2O-H"	-19.01839
"69888"	343.161524	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M-3H"	-3.021828
"510542"	515.245924	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M-3H"	-3.021828
"889438"	171.077124	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-3H"	-3.021828
"2548"	515.245924	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M-2H"	-2.014552
"443200"	773.372524	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M-2H"	-2.014552
"822094"	257.119324	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-2H"	-2.014552
"84273"	1031.499124	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M-H"	-1.007276
"524925"	1547.752324	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M-H"	-1.007276
"901999"	515.245924	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-H"	-1.007276
"53822"	1048.525671	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M-2H+NH4"	16.019271
"493388"	1564.778871	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M-2H+NH4"	16.019271
"870096"	532.272471	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-2H+NH4"	16.019271
"37996"	1053.481066	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M-2H+Na"	20.974666
"476827"	1569.734266	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M-2H+Na"	20.974666
"852085"	537.227866	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-2H+Na"	20.974666
"1623808"	537.227866	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Na-2H"	20.974666
"97056"	533.234263	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M-H+Cl"	33.962126
"544273"	791.360863	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M-H+Cl"	33.962126
"934507"	275.107663	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-H+Cl"	33.962126
"276346"	1067.475802	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+Cl"	34.969402
"666580"	1583.729002	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+Cl"	34.969402
"1276797"	551.222602	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Cl"	34.969402
"17410"	1069.455006	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M-2H+K"	36.948606
"455689"	1585.708206	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M-2H+K"	36.948606
"833428"	553.201806	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-2H+K"	36.948606
"1556594"	553.201806	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+K-2H"	36.948606
"945167"	561.251394	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-H+HCOOH"	44.998194
"367390"	1077.504601	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+HCOOH-H"	44.998201
"351274"	1091.520251	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+Hac-H"	59.013851
"1495367"	575.267051	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Hac-H"	59.013851
"967646"	583.233351	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-H+NaCOOH"	66.980151
"117647"	551.222602	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+2Cl"	69.938804
"552108"	809.349202	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+2Cl"	69.938804
"1022365"	293.096002	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2Cl"	69.938804
"1243042"	595.172085	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Br"	78.918885
"1307313"	597.228072	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Cl+HCOOH"	80.974872
"1321289"	619.210029	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Cl+NaCOOH"	102.956829
"915142"	629.238786	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M-H+CF3COOH"	112.985586
"1290145"	665.215464	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Cl+CF3COOH"	148.962264
"1368184"	481.240524	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H-2H2O"	-35.012676
"1386047"	499.2505	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H-H2O"	-17.0027
"285731"	1033.513676	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+H"	1.007276
"678153"	1549.766876	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+H"	1.007276
"1353049"	517.260476	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H"	1.007276
"127519"	517.260476	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+2H"	2.014552
"567323"	775.387076	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+2H"	2.014552
"1041954"	259.133876	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2H"	2.014552
"213135"	345.176076	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+3H"	3.021828
"650509"	517.260476	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+3H"	3.021828
"1168637"	173.091676	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+3H"	3.021828
"431909"	1050.540223	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+NH4"	18.033823
"791810"	1566.793423	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+NH4"	18.033823
"1691420"	534.287023	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+NH4"	18.033823
"340793"	525.7737495	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+H+NH4"	19.041099
"729934"	783.9003495	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+H+NH4"	19.041099
"1484848"	267.6471495	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H+NH4"	19.041099
"404622"	1055.495618	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+Na"	22.989218
"761244"	1571.748818	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+Na"	22.989218
"1611530"	539.242418	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Na"	22.989218
"321565"	528.251447	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+H+Na"	23.996494
"718362"	786.378047	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+H+Na"	23.996494
"1464530"	270.124847	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H+Na"	23.996494
"1061054"	180.41899	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2H+Na"	25.00377
"1260184"	549.286686	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+CH3OH+H"	33.033486
"383499"	1071.469558	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+K"	38.963158
"744498"	1587.722758	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+K"	38.963158
"1547645"	555.216358	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+K"	38.963158
"308103"	536.238417	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+H+K"	39.970434
"706485"	794.365017	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+H+K"	39.970434
"1460181"	278.111817	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H+K"	39.970434
"250484"	1074.540226	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+ACN+H"	42.033826
"1224406"	558.287026	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+ACN+H"	42.033826
"1208653"	279.647151	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+ACN+2H"	43.041102
"203796"	1077.47756	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+2Na-H"	44.97116
"639634"	1593.73076	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+2Na-H"	44.97116
"1140951"	561.22436	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2Na-H"	44.97116
"183511"	539.242418	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+2Na"	45.978436
"626353"	797.369018	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+2Na"	45.978436
"1128768"	281.115818	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2Na"	45.978436
"1409005"	187.746304	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H+2Na"	46.985712
"1437841"	563.265946	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H+HCOOH"	47.012746
"228630"	544.27544	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+3H2O+2H"	56.04448
"1516693"	577.31799	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+IsoProp+H"	61.06479
"416014"	547.229388	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+Na+K"	61.952376
"781394"	805.355988	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+Na+K"	61.952376
"1675540"	289.102788	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Na+K"	61.952376
"257685"	1096.522168	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+ACN+Na"	64.015768
"1235497"	580.268968	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+ACN+Na"	64.015768
"1718188"	580.292493	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+NH4+HCOOH"	64.039293
"1183542"	195.073618	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+3Na"	68.967654
"1653797"	585.247888	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Na+HCOOH"	68.994688
"161387"	1109.42544	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+2K-H"	76.91904
"603136"	1625.67864	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+2K-H"	76.91904
"1085828"	593.17224	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2K-H"	76.91904
"144469"	555.216358	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"2M+2K"	77.926316
"595575"	813.342958	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"3M+2K"	77.926316
"1076200"	297.089758	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2K"	77.926316
"1111596"	595.186792	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2K+H"	78.933592
"1347981"	595.274407	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+DMSO+H"	79.021207
"1017601"	599.313576	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2ACN+H"	83.060376
"1533542"	600.307208	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+IsoProp+Na+H"	84.054008
"996710"	300.160426	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+2ACN+2H"	84.067652
"1598866"	601.221828	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+K+HCOOH"	84.968628
"1425620"	631.253338	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+H+CF3COOH"	115.000138
"1158097"	320.673701	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+3ACN+2H"	125.094202
"1701086"	648.279885	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+NH4+CF3COOH"	132.026685
"1647675"	653.23528	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+Na+CF3COOH"	136.98208
"1582231"	669.20922	"C13547"	"Norcholestenol iodomethyl (131 I);Norcholestenol iodomethyl ((sup 131)I)"	"C27H45IO"	"516.2532"	"M+K+CF3COOH"	152.95602
"802756"	1326.5576	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M"	0
"975556"	1307.53921	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-H2O-H"	-19.01839
"68905"	883.364457333333	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M-3H"	-3.021828
"509559"	1325.550324	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M-3H"	-3.021828
"889548"	441.178590666667	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-3H"	-3.021828
"3751"	1325.550324	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M-2H"	-2.014552
"445497"	1988.829124	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M-2H"	-2.014552
"821111"	662.271524	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-2H"	-2.014552
"84384"	2652.107924	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M-H"	-1.007276
"521027"	3978.665524	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M-H"	-1.007276
"898466"	1325.550324	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-H"	-1.007276
"52841"	2669.134471	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M-2H+NH4"	16.019271
"492400"	3995.692071	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M-2H+NH4"	16.019271
"872387"	1342.576871	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-2H+NH4"	16.019271
"39197"	2674.089866	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M-2H+Na"	20.974666
"476568"	4000.647466	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M-2H+Na"	20.974666
"851103"	1347.532266	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-2H+Na"	20.974666
"1622825"	1347.532266	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Na-2H"	20.974666
"97166"	1343.538663	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M-H+Cl"	33.962126
"544383"	2006.817463	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M-H+Cl"	33.962126
"934617"	680.259863	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-H+Cl"	33.962126
"276456"	2688.084602	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+Cl"	34.969402
"666690"	4014.642202	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+Cl"	34.969402
"1280187"	1361.527002	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Cl"	34.969402
"20558"	2690.063806	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M-2H+K"	36.948606
"456589"	4016.621406	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M-2H+K"	36.948606
"833418"	1363.506206	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-2H+K"	36.948606
"1555938"	1363.506206	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+K-2H"	36.948606
"943333"	1371.555794	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-H+HCOOH"	44.998194
"367501"	2698.113401	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+HCOOH-H"	44.998201
"351383"	2712.129051	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+Hac-H"	59.013851
"1495841"	1385.571451	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Hac-H"	59.013851
"967757"	1393.537751	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-H+NaCOOH"	66.980151
"115570"	1361.527002	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+2Cl"	69.938804
"554041"	2024.805802	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+2Cl"	69.938804
"1023206"	698.248202	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2Cl"	69.938804
"1244611"	1405.476485	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Br"	78.918885
"1306694"	1407.532472	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Cl+HCOOH"	80.974872
"1320055"	1429.514429	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Cl+NaCOOH"	102.956829
"913793"	1439.543186	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M-H+CF3COOH"	112.985586
"1291956"	1475.519864	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Cl+CF3COOH"	148.962264
"1370483"	1291.544924	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H-2H2O"	-35.012676
"1385064"	1309.5549	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H-H2O"	-17.0027
"287664"	2654.122476	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+H"	1.007276
"677534"	3980.680076	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+H"	1.007276
"1354253"	1327.564876	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H"	1.007276
"128601"	1327.564876	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+2H"	2.014552
"569256"	1990.843676	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+2H"	2.014552
"1042428"	664.286076	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2H"	2.014552
"215797"	885.379009333333	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+3H"	3.021828
"650619"	1327.564876	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+3H"	3.021828
"1165827"	443.193142666667	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+3H"	3.021828
"428741"	2671.149023	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+NH4"	18.033823
"790828"	3997.706623	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+NH4"	18.033823
"1691532"	1344.591423	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+NH4"	18.033823
"336532"	1336.0781495	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+H+NH4"	19.041099
"731140"	1999.3569495	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+H+NH4"	19.041099
"1488240"	672.7993495	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H+NH4"	19.041099
"404734"	2676.104418	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+Na"	22.989218
"766823"	4002.662018	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+Na"	22.989218
"1616014"	1349.546818	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Na"	22.989218
"323863"	1338.555847	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+H+Na"	23.996494
"721389"	2001.834647	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+H+Na"	23.996494
"1463668"	675.277047	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H+Na"	23.996494
"1060073"	450.520456666667	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2H+Na"	25.00377
"1261754"	1359.591086	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+CH3OH+H"	33.033486
"383609"	2692.078358	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+K"	38.963158
"741691"	4018.635958	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+K"	38.963158
"1547755"	1365.520758	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+K"	38.963158
"308213"	1346.542817	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+H+K"	39.970434
"706679"	2009.821617	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+H+K"	39.970434
"1460534"	683.264017	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H+K"	39.970434
"250592"	2695.149026	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+ACN+H"	42.033826
"1224029"	1368.591426	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+ACN+H"	42.033826
"1208397"	684.799351	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+ACN+2H"	43.041102
"203457"	2698.08636	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+2Na-H"	44.97116
"638650"	4024.64396	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+2Na-H"	44.97116
"1142155"	1371.52876	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2Na-H"	44.97116
"184351"	1349.546818	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+2Na"	45.978436
"625735"	2012.825618	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+2Na"	45.978436
"1128146"	686.268018	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2Na"	45.978436
"1404376"	457.847770666667	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H+2Na"	46.985712
"1436492"	1373.570346	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H+HCOOH"	47.012746
"229466"	1354.57984	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+3H2O+2H"	56.04448
"1513155"	1387.62239	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+IsoProp+H"	61.06479
"412114"	1357.533788	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+Na+K"	61.952376
"780411"	2020.812588	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+Na+K"	61.952376
"1675650"	694.254988	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Na+K"	61.952376
"260712"	2717.130968	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+ACN+Na"	64.015768
"1235243"	1390.573368	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+ACN+Na"	64.015768
"1718298"	1390.596893	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+NH4+HCOOH"	64.039293
"1186932"	465.175084666667	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+3Na"	68.967654
"1653180"	1395.552288	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Na+HCOOH"	68.994688
"164779"	2730.03424	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+2K-H"	76.91904
"607620"	4056.59184	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+2K-H"	76.91904
"1085938"	1403.47664	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2K-H"	76.91904
"150046"	1365.520758	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"2M+2K"	77.926316
"594834"	2028.799558	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"3M+2K"	77.926316
"1078496"	702.241958	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2K"	77.926316
"1113529"	1405.491192	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2K+H"	78.933592
"1350281"	1405.578807	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+DMSO+H"	79.021207
"1017711"	1409.617976	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2ACN+H"	83.060376
"1535839"	1410.611608	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+IsoProp+Na+H"	84.054008
"1001195"	705.312626	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+2ACN+2H"	84.067652
"1598976"	1411.526228	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+K+HCOOH"	84.968628
"1425730"	1441.557738	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+H+CF3COOH"	115.000138
"1158207"	725.825901	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+3ACN+2H"	125.094202
"1701196"	1458.584285	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+NH4+CF3COOH"	132.026685
"1648879"	1463.53968	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+Na+CF3COOH"	136.98208
"1582341"	1479.51362	"C13548"	"Alprostadil alfadex;G 511"	"C36H60O30C20H34O5"	"1326.5576"	"M+K+CF3COOH"	152.95602
"802866"	402.3498	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M"	0
"977487"	383.33141	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"66828"	267.225924	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"507482"	401.342524	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"890751"	133.109324	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"2768"	401.342524	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"443420"	602.517424	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"820128"	200.167624	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"84494"	803.692324	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"524053"	1206.042124	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"898576"	401.342524	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"54044"	820.718871	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"495791"	1223.068671	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"873591"	418.369071	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"38214"	825.674266	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"477044"	1228.024066	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"852306"	423.324466	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1622935"	423.324466	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"99463"	419.330863	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"545586"	620.505763	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"938007"	218.155963	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"267695"	839.669002	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"660353"	1242.018802	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1273485"	437.319202	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"16528"	841.648206	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"456574"	1243.998006	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"833771"	439.298406	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1562605"	439.298406	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"950487"	447.347994	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"368703"	849.697801	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"351492"	863.713451	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1495952"	461.363651	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"965679"	469.329951	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"114587"	437.319202	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"558525"	638.494102	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1021490"	236.144302	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1245085"	481.268685	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1309720"	483.324672	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1320169"	505.306629	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"913903"	515.335386	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1294621"	551.312064	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1372781"	367.337124	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1385539"	385.3471	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"291057"	805.706876	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"686030"	1208.056676	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1359827"	403.357076	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"137822"	403.357076	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"574463"	604.531976	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1039984"	202.182176	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"206182"	269.240476	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"650729"	403.357076	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1164843"	135.123876	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"435409"	822.733423	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"795312"	1225.083223	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1691642"	420.383623	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"339921"	411.8703495	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"733436"	613.0452495	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1488349"	210.6954495	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"404843"	827.688818	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"768757"	1230.038618	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1615030"	425.339018	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"322880"	414.348047	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"718582"	615.522947	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1464750"	213.173147	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1059088"	142.45119	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1260401"	435.383286	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"382623"	843.662758	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"744713"	1246.012558	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1546765"	441.312958	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"307958"	422.335017	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"706580"	623.509917	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1460036"	221.160117	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"248634"	846.733426	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1222802"	444.383626	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1208386"	222.695451	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"203568"	849.67076	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"637665"	1252.02056	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1141897"	447.32096	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"182273"	425.339018	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"624019"	626.513918	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1126430"	224.164118	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1407769"	149.778504	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1438790"	449.362546	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"231401"	430.37204	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1513265"	463.41459	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"410767"	433.325988	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"781613"	634.500888	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1676488"	232.151088	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"258999"	868.715368	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1231707"	466.365568	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1719500"	466.389093	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1186677"	157.105818	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1654382"	471.344488	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"164888"	881.61864	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"605541"	1283.96844	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1086779"	479.26884	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"150156"	441.312958	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"591905"	642.487858	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1080793"	240.138058	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1111814"	481.283392	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1350387"	481.371007	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1019766"	485.410176	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1532669"	486.403808	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"1000209"	243.208726	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1601150"	487.318428	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1424747"	517.349938	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1159411"	263.722001	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1700213"	534.376485	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1648990"	539.33188	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1582451"	555.30582	"C13550"	"Cerebrosterol;24-Hydroxycholesterol;Cholest-5-ene-324-diol;(24S)-24-Hydroxycholesterol;(24S)-Cholest-5-ene-3beta24-diol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"802977"	578.3607	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M"	0
"987082"	559.34231	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-H2O-H"	-19.01839
"74594"	384.566524	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M-3H"	-3.021828
"510875"	577.353424	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M-3H"	-3.021828
"883211"	191.779624	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-3H"	-3.021828
"2878"	577.353424	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M-2H"	-2.014552
"442437"	866.533774	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M-2H"	-2.014552
"821331"	288.173074	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-2H"	-2.014552
"84603"	1155.714124	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M-H"	-1.007276
"525261"	1734.074824	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M-H"	-1.007276
"904154"	577.353424	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-H"	-1.007276
"53062"	1172.740671	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M-2H+NH4"	16.019271
"495901"	1751.101371	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M-2H+NH4"	16.019271
"872608"	594.379971	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-2H+NH4"	16.019271
"39416"	1177.696066	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M-2H+Na"	20.974666
"477884"	1756.056766	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M-2H+Na"	20.974666
"850232"	599.335366	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-2H+Na"	20.974666
"1619764"	599.335366	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Na-2H"	20.974666
"94387"	595.341763	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M-H+Cl"	33.962126
"535003"	884.522113	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M-H+Cl"	33.962126
"932653"	306.161413	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-H+Cl"	33.962126
"267684"	1191.690802	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+Cl"	34.969402
"660385"	1770.051502	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+Cl"	34.969402
"1274209"	613.330102	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Cl"	34.969402
"17494"	1193.670006	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M-2H+K"	36.948606
"456361"	1772.030706	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M-2H+K"	36.948606
"835217"	615.309306	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-2H+K"	36.948606
"1562715"	615.309306	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+K-2H"	36.948606
"948412"	623.358894	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-H+HCOOH"	44.998194
"366625"	1201.719601	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+HCOOH-H"	44.998201
"353790"	1215.735251	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+Hac-H"	59.013851
"1497155"	637.374551	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Hac-H"	59.013851
"966884"	645.340851	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-H+NaCOOH"	66.980151
"113245"	613.330102	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+2Cl"	69.938804
"552440"	902.510452	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+2Cl"	69.938804
"1025255"	324.149752	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2Cl"	69.938804
"1245199"	657.279585	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Br"	78.918885
"1307279"	659.335572	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Cl+HCOOH"	80.974872
"1322589"	681.317529	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Cl+NaCOOH"	102.956829
"914012"	691.346286	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M-H+CF3COOH"	112.985586
"1291451"	727.322964	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Cl+CF3COOH"	148.962264
"1369246"	543.348024	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H-2H2O"	-35.012676
"1386016"	561.358	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H-H2O"	-17.0027
"286793"	1157.728676	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+H"	1.007276
"679578"	1736.089376	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+H"	1.007276
"1353741"	579.367976	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H"	1.007276
"129547"	579.367976	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+2H"	2.014552
"569110"	868.548326	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+2H"	2.014552
"1040096"	290.187626	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2H"	2.014552
"209091"	386.581076	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+3H"	3.021828
"648653"	579.367976	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+3H"	3.021828
"1170062"	193.794176	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+3H"	3.021828
"428962"	1174.755223	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+NH4"	18.033823
"792143"	1753.115923	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+NH4"	18.033823
"1690660"	596.394523	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+NH4"	18.033823
"337844"	587.8812495	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+H+NH4"	19.041099
"730265"	877.0615995	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+H+NH4"	19.041099
"1488096"	298.7008995	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H+NH4"	19.041099
"403861"	1179.710618	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+Na"	22.989218
"761573"	1758.071318	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+Na"	22.989218
"1612954"	601.349918	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Na"	22.989218
"320802"	590.358947	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+H+Na"	23.996494
"708851"	879.539297	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+H+Na"	23.996494
"1464858"	301.178597	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H+Na"	23.996494
"1054095"	201.12149	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2H+Na"	25.00377
"1260147"	611.394186	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+CH3OH+H"	33.033486
"380546"	1195.684558	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+K"	38.963158
"738632"	1774.045258	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+K"	38.963158
"1555540"	617.323858	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+K"	38.963158
"313177"	598.345917	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+H+K"	39.970434
"705963"	887.526267	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+H+K"	39.970434
"1459782"	309.165567	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H+K"	39.970434
"249114"	1198.755226	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+ACN+H"	42.033826
"1222428"	620.394526	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+ACN+H"	42.033826
"1207891"	310.700901	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+ACN+2H"	43.041102
"192749"	1201.69256	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+2Na-H"	44.97116
"636683"	1780.05326	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+2Na-H"	44.97116
"1139094"	623.33186	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2Na-H"	44.97116
"178009"	601.349918	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+2Na"	45.978436
"619755"	890.530268	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+2Na"	45.978436
"1117062"	312.169568	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2Na"	45.978436
"1406785"	208.448804	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H+2Na"	46.985712
"1436713"	625.373446	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H+HCOOH"	47.012746
"228595"	606.38294	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+3H2O+2H"	56.04448
"1513382"	639.42549	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+IsoProp+H"	61.06479
"420728"	609.336888	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+Na+K"	61.952376
"781727"	898.517238	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+Na+K"	61.952376
"1672589"	320.156538	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Na+K"	61.952376
"262024"	1220.737168	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+ACN+Na"	64.015768
"1235462"	642.376468	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+ACN+Na"	64.015768
"1720702"	642.399993	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+NH4+HCOOH"	64.039293
"1181687"	215.776118	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+3Na"	68.967654
"1653765"	647.355388	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Na+HCOOH"	68.994688
"161718"	1233.64044	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+2K-H"	76.91904
"599459"	1812.00114	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+2K-H"	76.91904
"1091264"	655.27974	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2K-H"	76.91904
"145893"	617.323858	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"2M+2K"	77.926316
"584360"	906.504208	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"3M+2K"	77.926316
"1077622"	328.143508	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2K"	77.926316
"1110831"	657.294292	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2K+H"	78.933592
"1350496"	657.381907	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+DMSO+H"	79.021207
"1014653"	661.421076	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2ACN+H"	83.060376
"1534965"	662.414708	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+IsoProp+Na+H"	84.054008
"1000319"	331.214176	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+2ACN+2H"	84.067652
"1591544"	663.329328	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+K+HCOOH"	84.968628
"1422671"	693.360838	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+H+CF3COOH"	115.000138
"1158428"	351.727451	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+3ACN+2H"	125.094202
"1700325"	710.387385	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+NH4+CF3COOH"	132.026685
"1641443"	715.34278	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+Na+CF3COOH"	136.98208
"1582563"	731.31672	"C13554"	"Prednisolone 21-all-cis-farnesylate"	"C36H50O6"	"578.3607"	"M+K+CF3COOH"	152.95602
"803087"	233.9007	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M"	0
"987921"	214.88231	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-H2O-H"	-19.01839
"72517"	154.926524	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M-3H"	-3.021828
"512079"	232.893424	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M-3H"	-3.021828
"882228"	76.959624	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-3H"	-3.021828
"1895"	232.893424	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M-2H"	-2.014552
"440724"	349.843774	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M-2H"	-2.014552
"817796"	115.943074	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-2H"	-2.014552
"81433"	466.794124	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M-H"	-1.007276
"520999"	700.694824	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M-H"	-1.007276
"899891"	232.893424	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-H"	-1.007276
"49529"	483.820671	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M-2H+NH4"	16.019271
"491639"	717.721371	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M-2H+NH4"	16.019271
"867618"	249.919971	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-2H+NH4"	16.019271
"35517"	488.776066	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M-2H+Na"	20.974666
"473984"	722.676766	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M-2H+Na"	20.974666
"848678"	254.875366	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-2H+Na"	20.974666
"1618861"	254.875366	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Na-2H"	20.974666
"98591"	250.881763	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M-H+Cl"	33.962126
"535965"	367.832113	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M-H+Cl"	33.962126
"936040"	133.931413	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-H+Cl"	33.962126
"267551"	502.770802	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+Cl"	34.969402
"660063"	736.671502	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+Cl"	34.969402
"1272978"	268.870102	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Cl"	34.969402
"16062"	504.750006	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M-2H+K"	36.948606
"456432"	738.650706	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M-2H+K"	36.948606
"836058"	270.849306	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-2H+K"	36.948606
"1562825"	270.849306	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+K-2H"	36.948606
"948522"	278.898894	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-H+HCOOH"	44.998194
"365642"	512.799601	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+HCOOH-H"	44.998201
"353900"	526.815251	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+Hac-H"	59.013851
"1497994"	292.914551	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Hac-H"	59.013851
"966994"	300.880851	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-H+NaCOOH"	66.980151
"111164"	268.870102	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+2Cl"	69.938804
"551455"	385.820452	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+2Cl"	69.938804
"1025730"	151.919752	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2Cl"	69.938804
"1245310"	312.819585	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Br"	78.918885
"1304515"	314.875572	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Cl+HCOOH"	80.974872
"1320065"	336.857529	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Cl+NaCOOH"	102.956829
"911406"	346.886286	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M-H+CF3COOH"	112.985586
"1291926"	382.862964	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Cl+CF3COOH"	148.962264
"1368994"	198.888024	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H-2H2O"	-35.012676
"1386127"	216.898	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H-H2O"	-17.0027
"286904"	468.808676	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+H"	1.007276
"679326"	702.709376	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+H"	1.007276
"1354583"	234.907976	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H"	1.007276
"129658"	234.907976	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+2H"	2.014552
"570314"	351.858326	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+2H"	2.014552
"1040206"	117.957626	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2H"	2.014552
"210295"	156.941076	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+3H"	3.021828
"648763"	234.907976	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+3H"	3.021828
"1170173"	78.974176	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+3H"	3.021828
"429071"	485.835223	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+NH4"	18.033823
"792253"	719.735923	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+NH4"	18.033823
"1690770"	251.934523	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+NH4"	18.033823
"340870"	243.4212495	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+H+NH4"	19.041099
"735480"	360.3715995	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+H+NH4"	19.041099
"1489665"	126.4708995	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H+NH4"	19.041099
"403971"	490.790618	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+Na"	22.989218
"763870"	724.691318	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+Na"	22.989218
"1612700"	256.889918	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Na"	22.989218
"324195"	245.898947	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+H+Na"	23.996494
"711148"	362.849297	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+H+Na"	23.996494
"1464970"	128.948597	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H+Na"	23.996494
"1056029"	86.30149	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2H+Na"	25.00377
"1260987"	266.934186	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+CH3OH+H"	33.033486
"382842"	506.764558	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+K"	38.963158
"738741"	740.665258	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+K"	38.963158
"1553803"	272.863858	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+K"	38.963158
"311460"	253.885917	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+H+K"	39.970434
"701694"	370.836267	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+H+K"	39.970434
"1458071"	136.935567	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H+K"	39.970434
"249589"	509.835226	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+ACN+H"	42.033826
"1222660"	275.934526	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+ACN+H"	42.033826
"1206909"	138.470901	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+ACN+2H"	43.041102
"190669"	512.77256	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+2Na-H"	44.97116
"635699"	746.67326	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+2Na-H"	44.97116
"1134830"	278.87186	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2Na-H"	44.97116
"177026"	256.889918	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+2Na"	45.978436
"617678"	373.840268	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+2Na"	45.978436
"1116930"	139.939568	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2Na"	45.978436
"1402521"	93.628804	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H+2Na"	46.985712
"1433543"	280.913446	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H+HCOOH"	47.012746
"226519"	261.92294	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+3H2O+2H"	56.04448
"1513492"	294.96549	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+IsoProp+H"	61.06479
"417554"	264.876888	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+Na+K"	61.952376
"773082"	381.827238	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+Na+K"	61.952376
"1672698"	147.926538	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Na+K"	61.952376
"262134"	531.817168	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+ACN+Na"	64.015768
"1235572"	297.916468	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+ACN+Na"	64.015768
"1720812"	297.939993	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+NH4+HCOOH"	64.039293
"1180704"	100.956118	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+3Na"	68.967654
"1653875"	302.895388	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Na+HCOOH"	68.994688
"160369"	544.72044	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+2K-H"	76.91904
"597866"	778.62114	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+2K-H"	76.91904
"1086269"	310.81974	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2K-H"	76.91904
"144905"	272.863858	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"2M+2K"	77.926316
"582648"	389.814208	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"3M+2K"	77.926316
"1076638"	155.913508	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2K"	77.926316
"1110940"	312.834292	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2K+H"	78.933592
"1344044"	312.921907	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+DMSO+H"	79.021207
"1014763"	316.961076	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2ACN+H"	83.060376
"1531795"	317.954708	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+IsoProp+Na+H"	84.054008
"1001524"	158.984176	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+2ACN+2H"	84.067652
"1592748"	318.869328	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+K+HCOOH"	84.968628
"1420595"	348.900838	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+H+CF3COOH"	115.000138
"1157444"	179.497451	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+3ACN+2H"	125.094202
"1700435"	365.927385	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+NH4+CF3COOH"	132.026685
"1638272"	370.88278	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+Na+CF3COOH"	136.98208
"1582673"	386.85672	"C13556"	"Monobasic calcium phosphate;Calcium biphosphate;Monocalcium phosphate"	"Ca(H2PO4)2"	"233.9007"	"M+K+CF3COOH"	152.95602
"809758"	100.9515	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M"	0
"988400"	81.93311	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-H2O-H"	-19.01839
"77001"	66.293724	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M-3H"	-3.021828
"512189"	99.944224	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M-3H"	-3.021828
"885619"	32.643224	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-3H"	-3.021828
"5287"	99.944224	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M-2H"	-2.014552
"443751"	150.419974	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M-2H"	-2.014552
"820456"	49.468474	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-2H"	-2.014552
"80448"	200.895724	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M-H"	-1.007276
"522202"	301.847224	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M-H"	-1.007276
"900000"	99.944224	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-H"	-1.007276
"51096"	217.922271	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M-2H+NH4"	16.019271
"491748"	318.873771	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M-2H+NH4"	16.019271
"870644"	116.970771	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-2H+NH4"	16.019271
"36356"	222.877666	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M-2H+Na"	20.974666
"474822"	323.829166	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M-2H+Na"	20.974666
"861020"	121.926166	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-2H+Na"	20.974666
"1619092"	121.926166	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Na-2H"	20.974666
"105262"	117.932563	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M-H+Cl"	33.962126
"543731"	168.408313	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M-H+Cl"	33.962126
"936151"	67.456813	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-H+Cl"	33.962126
"270336"	236.872402	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+Cl"	34.969402
"660444"	337.823902	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+Cl"	34.969402
"1277346"	135.920902	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Cl"	34.969402
"18806"	238.851606	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M-2H+K"	36.948606
"457029"	339.803106	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M-2H+K"	36.948606
"839448"	137.900106	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-2H+K"	36.948606
"1562935"	137.900106	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+K-2H"	36.948606
"948632"	145.949694	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-H+HCOOH"	44.998194
"369035"	246.901201	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+HCOOH-H"	44.998201
"353281"	260.916851	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+Hac-H"	59.013851
"1497012"	159.965351	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Hac-H"	59.013851
"964917"	167.931651	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-H+NaCOOH"	66.980151
"111152"	135.920902	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+2Cl"	69.938804
"551201"	186.396652	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+2Cl"	69.938804
"1029852"	85.445152	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2Cl"	69.938804
"1248335"	179.870385	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Br"	78.918885
"1305680"	181.926372	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Cl+HCOOH"	80.974872
"1320624"	203.908329	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Cl+NaCOOH"	102.956829
"914600"	213.937086	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M-H+CF3COOH"	112.985586
"1298233"	249.913764	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Cl+CF3COOH"	148.962264
"1377487"	65.938824	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H-2H2O"	-35.012676
"1390611"	83.9488	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H-H2O"	-17.0027
"291389"	202.910276	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+H"	1.007276
"682716"	303.861776	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+H"	1.007276
"1356879"	101.958776	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H"	1.007276
"131955"	101.958776	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+2H"	2.014552
"573705"	152.434526	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+2H"	2.014552
"1041044"	51.483026	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2H"	2.014552
"211500"	68.308276	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+3H"	3.021828
"648873"	101.958776	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+3H"	3.021828
"1172470"	34.657776	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+3H"	3.021828
"428088"	219.936823	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+NH4"	18.033823
"794550"	320.888323	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+NH4"	18.033823
"1693797"	118.985323	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+NH4"	18.033823
"343898"	110.4720495	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+H+NH4"	19.041099
"735953"	160.9477995	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+H+NH4"	19.041099
"1487587"	59.9962995	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H+NH4"	19.041099
"406632"	224.892218	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+Na"	22.989218
"762887"	325.843718	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+Na"	22.989218
"1616090"	123.940718	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Na"	22.989218
"324303"	112.949747	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+H+Na"	23.996494
"711257"	163.425497	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+H+Na"	23.996494
"1468361"	62.473997	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H+Na"	23.996494
"1055046"	41.98509	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2H+Na"	25.00377
"1259642"	133.984986	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+CH3OH+H"	33.033486
"380767"	240.866158	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+K"	38.963158
"739579"	341.817658	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+K"	38.963158
"1554395"	139.914658	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+K"	38.963158
"311571"	120.936717	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+H+K"	39.970434
"705086"	171.412467	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+H+K"	39.970434
"1459275"	70.460967	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H+K"	39.970434
"248605"	243.936826	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+ACN+H"	42.033826
"1222769"	142.985326	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+ACN+H"	42.033826
"1208474"	71.996301	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+ACN+2H"	43.041102
"199523"	246.87416	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+2Na-H"	44.97116
"634711"	347.82566	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+2Na-H"	44.97116
"1136034"	145.92266	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2Na-H"	44.97116
"179323"	123.940718	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+2Na"	45.978436
"618882"	174.416468	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+2Na"	45.978436
"1117040"	73.464968	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2Na"	45.978436
"1403724"	49.312404	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H+2Na"	46.985712
"1435841"	147.964246	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H+HCOOH"	47.012746
"226629"	128.97374	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+3H2O+2H"	56.04448
"1511410"	162.01629	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+IsoProp+H"	61.06479
"410010"	131.927688	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+Na+K"	61.952376
"772100"	182.403438	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+Na+K"	61.952376
"1674995"	81.451938	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Na+K"	61.952376
"261515"	265.918768	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+ACN+Na"	64.015768
"1234223"	164.967268	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+ACN+Na"	64.015768
"1723109"	164.990793	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+NH4+HCOOH"	64.039293
"1185183"	56.639718	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+3Na"	68.967654
"1658359"	169.946188	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Na+HCOOH"	68.994688
"160844"	278.82204	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+2K-H"	76.91904
"600773"	379.77354	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+2K-H"	76.91904
"1090389"	177.87054	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2K-H"	76.91904
"145382"	139.914658	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"2M+2K"	77.926316
"586767"	190.390408	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"3M+2K"	77.926316
"1080029"	89.438908	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2K"	77.926316
"1111050"	179.885092	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2K+H"	78.933592
"1344154"	179.972707	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+DMSO+H"	79.021207
"1012686"	184.011876	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2ACN+H"	83.060376
"1534092"	185.005508	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+IsoProp+Na+H"	84.054008
"1000540"	92.509576	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+2ACN+2H"	84.067652
"1592858"	185.920128	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+K+HCOOH"	84.968628
"1422892"	215.951638	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+H+CF3COOH"	115.000138
"1156460"	113.022851	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+3ACN+2H"	125.094202
"1707107"	232.978185	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+NH4+CF3COOH"	132.026685
"1647131"	237.93358	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+Na+CF3COOH"	136.98208
"1576222"	253.90752	"C13557"	"Potassium nitrate"	"KNO3"	"100.9515"	"M+K+CF3COOH"	152.95602
"804400"	141.9408	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M"	0
"988869"	122.92241	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-H2O-H"	-19.01839
"77113"	93.619924	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M-3H"	-3.021828
"514487"	140.933524	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M-3H"	-3.021828
"891193"	46.306324	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-3H"	-3.021828
"5394"	140.933524	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M-2H"	-2.014552
"442037"	211.903924	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M-2H"	-2.014552
"822755"	69.963124	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-2H"	-2.014552
"82747"	282.874324	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M-H"	-1.007276
"523405"	424.815124	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M-H"	-1.007276
"900110"	140.933524	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-H"	-1.007276
"53392"	299.900871	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M-2H+NH4"	16.019271
"492952"	441.841671	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M-2H+NH4"	16.019271
"872940"	157.960071	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-2H+NH4"	16.019271
"38652"	304.856266	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M-2H+Na"	20.974666
"476392"	446.797066	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M-2H+Na"	20.974666
"862587"	162.915466	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-2H+Na"	20.974666
"1622281"	162.915466	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Na-2H"	20.974666
"105372"	158.921863	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M-H+Cl"	33.962126
"542747"	229.892263	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M-H+Cl"	33.962126
"932981"	87.951463	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-H+Cl"	33.962126
"274819"	318.851002	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+Cl"	34.969402
"667240"	460.791802	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+Cl"	34.969402
"1277456"	176.910202	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Cl"	34.969402
"17823"	320.830206	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M-2H+K"	36.948606
"457625"	462.771006	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M-2H+K"	36.948606
"839558"	178.889406	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-2H+K"	36.948606
"1563045"	178.889406	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+K-2H"	36.948606
"946554"	186.938994	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-H+HCOOH"	44.998194
"366592"	328.879801	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+HCOOH-H"	44.998201
"353027"	342.895451	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+Hac-H"	59.013851
"1498215"	200.954651	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Hac-H"	59.013851
"961380"	208.920951	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-H+NaCOOH"	66.980151
"113573"	176.910202	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+2Cl"	69.938804
"552406"	247.880602	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+2Cl"	69.938804
"1028137"	105.939802	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2Cl"	69.938804
"1247716"	220.859685	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Br"	78.918885
"1310166"	222.915672	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Cl+HCOOH"	80.974872
"1325111"	244.897629	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Cl+NaCOOH"	102.956829
"916534"	254.926386	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M-H+CF3COOH"	112.985586
"1297250"	290.903064	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Cl+CF3COOH"	148.962264
"1377597"	106.928124	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H-2H2O"	-35.012676
"1390721"	124.9381	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H-H2O"	-17.0027
"291499"	284.888876	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+H"	1.007276
"680639"	426.829676	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+H"	1.007276
"1356990"	142.948076	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H"	1.007276
"127691"	142.948076	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+2H"	2.014552
"573815"	213.918476	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+2H"	2.014552
"1040061"	71.977676	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2H"	2.014552
"210516"	95.634476	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+3H"	3.021828
"647890"	142.948076	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+3H"	3.021828
"1172580"	48.320876	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+3H"	3.021828
"431478"	301.915423	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+NH4"	18.033823
"793567"	443.856223	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+NH4"	18.033823
"1693177"	159.974623	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+NH4"	18.033823
"344008"	151.4613495	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+H+NH4"	19.041099
"736063"	222.4317495	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+H+NH4"	19.041099
"1488790"	80.4909495	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H+NH4"	19.041099
"406377"	306.870818	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+Na"	22.989218
"762997"	448.811618	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+Na"	22.989218
"1614377"	164.930018	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Na"	22.989218
"323320"	153.939047	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+H+Na"	23.996494
"710274"	224.909447	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+H+Na"	23.996494
"1471751"	82.968647	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H+Na"	23.996494
"1055156"	55.64819	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2H+Na"	25.00377
"1261209"	174.974286	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+CH3OH+H"	33.033486
"383064"	322.844758	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+K"	38.963158
"740781"	464.785558	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+K"	38.963158
"1554505"	180.903958	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+K"	38.963158
"312045"	161.926017	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+H+K"	39.970434
"705560"	232.896417	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+H+K"	39.970434
"1460479"	90.955617	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H+K"	39.970434
"250173"	325.915426	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+ACN+H"	42.033826
"1223972"	183.974626	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+ACN+H"	42.033826
"1208948"	92.490951	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+ACN+2H"	43.041102
"200726"	328.85276	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+2Na-H"	44.97116
"632634"	470.79356	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+2Na-H"	44.97116
"1138328"	186.91196	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2Na-H"	44.97116
"180525"	164.930018	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+2Na"	45.978436
"618991"	235.900418	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+2Na"	45.978436
"1118122"	93.959618	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2Na"	45.978436
"1402740"	62.975504	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H+2Na"	46.985712
"1439230"	188.953546	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H+HCOOH"	47.012746
"228924"	169.96304	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+3H2O+2H"	56.04448
"1514799"	203.00559	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+IsoProp+H"	61.06479
"410120"	172.916988	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+Na+K"	61.952376
"773305"	243.887388	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+Na+K"	61.952376
"1675105"	101.946588	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Na+K"	61.952376
"261625"	347.897368	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+ACN+Na"	64.015768
"1233240"	205.956568	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+ACN+Na"	64.015768
"1722126"	205.980093	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+NH4+HCOOH"	64.039293
"1182013"	70.302818	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+3Na"	68.967654
"1656282"	210.935488	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Na+HCOOH"	68.994688
"159861"	360.80064	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+2K-H"	76.91904
"600519"	502.74144	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+2K-H"	76.91904
"1087219"	218.85984	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2K-H"	76.91904
"144398"	180.903958	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"2M+2K"	77.926316
"585054"	251.874358	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"3M+2K"	77.926316
"1080139"	109.933558	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2K"	77.926316
"1107880"	220.874392	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2K+H"	78.933592
"1344265"	220.962007	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+DMSO+H"	79.021207
"1012796"	225.001176	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2ACN+H"	83.060376
"1534202"	225.994808	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+IsoProp+Na+H"	84.054008
"1000650"	113.004226	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+2ACN+2H"	84.067652
"1596249"	226.909428	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+K+HCOOH"	84.968628
"1423002"	256.940938	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+H+CF3COOH"	115.000138
"1153290"	133.517501	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+3ACN+2H"	125.094202
"1707217"	273.967485	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+NH4+CF3COOH"	132.026685
"1649429"	278.92288	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+Na+CF3COOH"	136.98208
"1576332"	294.89682	"C13558"	"Dibasic sodium phosphate;Disodium phosphate"	"Na2HPO4"	"141.9408"	"M+K+CF3COOH"	152.95602
"804510"	57.9586	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M"	0
"988979"	38.94021	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-H2O-H"	-19.01839
"77223"	37.6317906666667	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M-3H"	-3.021828
"514598"	56.951324	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M-3H"	-3.021828
"892398"	18.3122573333333	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-3H"	-3.021828
"7691"	56.951324	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M-2H"	-2.014552
"443970"	85.930624	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M-2H"	-2.014552
"826145"	27.972024	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-2H"	-2.014552
"82857"	114.909924	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M-H"	-1.007276
"527885"	172.868524	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M-H"	-1.007276
"903501"	56.951324	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-H"	-1.007276
"55686"	131.936471	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M-2H+NH4"	16.019271
"490510"	189.895071	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M-2H+NH4"	16.019271
"869769"	73.977871	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-2H+NH4"	16.019271
"35116"	136.891866	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M-2H+Na"	20.974666
"479418"	194.850466	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M-2H+Na"	20.974666
"862697"	78.933266	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-2H+Na"	20.974666
"1631504"	78.933266	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Na-2H"	20.974666
"103296"	74.939663	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M-H+Cl"	33.962126
"542858"	103.918963	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M-H+Cl"	33.962126
"935279"	45.960363	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-H+Cl"	33.962126
"274929"	150.886602	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+Cl"	34.969402
"669538"	208.845202	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+Cl"	34.969402
"1284126"	92.928002	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Cl"	34.969402
"19026"	152.865806	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M-2H+K"	36.948606
"458586"	210.824406	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M-2H+K"	36.948606
"836388"	94.907206	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-2H+K"	36.948606
"1561332"	94.907206	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+K-2H"	36.948606
"948851"	102.956794	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-H+HCOOH"	44.998194
"366701"	160.915401	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+HCOOH-H"	44.998201
"354230"	174.931051	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+Hac-H"	59.013851
"1497231"	116.972451	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Hac-H"	59.013851
"960395"	124.938751	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-H+NaCOOH"	66.980151
"114774"	92.928002	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+2Cl"	69.938804
"553243"	121.907302	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+2Cl"	69.938804
"1026790"	63.948702	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2Cl"	69.938804
"1247462"	136.877485	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Br"	78.918885
"1311005"	138.933472	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Cl+HCOOH"	80.974872
"1325585"	160.915429	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Cl+NaCOOH"	102.956829
"917737"	170.944186	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M-H+CF3COOH"	112.985586
"1298453"	206.920864	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Cl+CF3COOH"	148.962264
"1377708"	22.945924	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H-2H2O"	-35.012676
"1390831"	40.9559	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H-H2O"	-17.0027
"294162"	116.924476	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+H"	1.007276
"684760"	174.883076	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+H"	1.007276
"1358193"	58.965876	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H"	1.007276
"128529"	58.965876	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+2H"	2.014552
"573925"	87.945176	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+2H"	2.014552
"1041629"	29.986576	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2H"	2.014552
"210626"	39.6463426666667	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+3H"	3.021828
"651281"	58.965876	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+3H"	3.021828
"1176337"	20.3268093333333	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+3H"	3.021828
"433774"	133.951023	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+NH4"	18.033823
"796957"	191.909623	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+NH4"	18.033823
"1694381"	75.992423	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+NH4"	18.033823
"344118"	67.4791495	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+H+NH4"	19.041099
"735080"	96.4584495	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+H+NH4"	19.041099
"1487807"	38.4998495	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H+NH4"	19.041099
"404301"	138.906418	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+Na"	22.989218
"762014"	196.865018	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+Na"	22.989218
"1614487"	80.947818	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Na"	22.989218
"323430"	69.956847	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+H+Na"	23.996494
"708202"	98.936147	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+H+Na"	23.996494
"1468582"	40.977547	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H+Na"	23.996494
"1056360"	27.6541233333333	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2H+Na"	25.00377
"1263506"	90.992086	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+CH3OH+H"	33.033486
"385364"	154.880358	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+K"	38.963158
"745266"	212.838958	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+K"	38.963158
"1547325"	96.921758	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+K"	38.963158
"312156"	77.943817	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+H+K"	39.970434
"699109"	106.923117	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+H+K"	39.970434
"1461236"	48.964517	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H+K"	39.970434
"251337"	157.951026	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+ACN+H"	42.033826
"1224569"	99.992426	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+ACN+H"	42.033826
"1209017"	50.499851	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+ACN+2H"	43.041102
"199746"	160.88836	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+2Na-H"	44.97116
"639303"	218.84696	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+2Na-H"	44.97116
"1140623"	102.92976	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2Na-H"	44.97116
"180635"	80.947818	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+2Na"	45.978436
"620194"	109.927118	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+2Na"	45.978436
"1119325"	51.968518	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2Na"	45.978436
"1403943"	34.9814373333333	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H+2Na"	46.985712
"1441526"	104.971346	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H+HCOOH"	47.012746
"225753"	85.98084	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+3H2O+2H"	56.04448
"1514909"	119.02339	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+IsoProp+H"	61.06479
"415697"	88.934788	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+Na+K"	61.952376
"775602"	117.914088	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+Na+K"	61.952376
"1666587"	59.955488	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Na+K"	61.952376
"258454"	179.932968	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+ACN+Na"	64.015768
"1233350"	121.974368	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+ACN+Na"	64.015768
"1724424"	121.997893	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+NH4+HCOOH"	64.039293
"1183217"	42.3087513333333	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+3Na"	68.967654
"1658579"	126.953288	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Na+HCOOH"	68.994688
"162157"	192.83624	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+2K-H"	76.91904
"600629"	250.79484	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+2K-H"	76.91904
"1088422"	134.87764	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2K-H"	76.91904
"150706"	96.921758	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"2M+2K"	77.926316
"589175"	125.901058	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"3M+2K"	77.926316
"1080249"	67.942458	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2K"	77.926316
"1113457"	136.892192	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2K+H"	78.933592
"1348749"	136.979807	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+DMSO+H"	79.021207
"1016186"	141.018976	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2ACN+H"	83.060376
"1535405"	142.012608	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+IsoProp+Na+H"	84.054008
"1002583"	71.013126	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+2ACN+2H"	84.067652
"1596359"	142.927228	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+K+HCOOH"	84.968628
"1422019"	172.958738	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+H+CF3COOH"	115.000138
"1159960"	91.526401	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+3ACN+2H"	125.094202
"1707326"	189.985285	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+NH4+CF3COOH"	132.026685
"1649500"	194.94068	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+Na+CF3COOH"	136.98208
"1576442"	210.91462	"C13563"	"Sodium chloride"	"NaCl"	"57.9586"	"M+K+CF3COOH"	152.95602
"804620"	1182.5094	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M"	0
"985809"	1163.49101	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-H2O-H"	-19.01839
"77212"	787.332324	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M-3H"	-3.021828
"516528"	1181.502124	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M-3H"	-3.021828
"892872"	393.162524	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-3H"	-3.021828
"5614"	1181.502124	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M-2H"	-2.014552
"440799"	1772.756824	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M-2H"	-2.014552
"819695"	590.247424	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-2H"	-2.014552
"80051"	2364.011524	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M-H"	-1.007276
"524715"	3546.520924	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M-H"	-1.007276
"903611"	1181.502124	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-H"	-1.007276
"49236"	2381.038071	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M-2H+NH4"	16.019271
"489892"	3563.547471	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M-2H+NH4"	16.019271
"869879"	1198.528671	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-2H+NH4"	16.019271
"34131"	2385.993466	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M-2H+Na"	20.974666
"478435"	3568.502866	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M-2H+Na"	20.974666
"863535"	1203.484066	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-2H+Na"	20.974666
"1629060"	1203.484066	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Na-2H"	20.974666
"100121"	1199.490463	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M-H+Cl"	33.962126
"540781"	1790.745163	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M-H+Cl"	33.962126
"936483"	608.235763	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-H+Cl"	33.962126
"272851"	2399.988202	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+Cl"	34.969402
"670739"	3582.497602	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+Cl"	34.969402
"1279861"	1217.478802	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Cl"	34.969402
"18161"	2401.967406	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M-2H+K"	36.948606
"456873"	3584.476806	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M-2H+K"	36.948606
"835403"	1219.458006	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-2H+K"	36.948606
"1559985"	1219.458006	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+K-2H"	36.948606
"945680"	1227.507594	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-H+HCOOH"	44.998194
"366083"	2410.017001	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+HCOOH-H"	44.998201
"354340"	2424.032651	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+Hac-H"	59.013851
"1497341"	1241.523251	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Hac-H"	59.013851
"959412"	1249.489551	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-H+NaCOOH"	66.980151
"115250"	1217.478802	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+2Cl"	69.938804
"552625"	1808.733502	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+2Cl"	69.938804
"1025805"	626.224102	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2Cl"	69.938804
"1249029"	1261.428285	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Br"	78.918885
"1312208"	1263.484272	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Cl+HCOOH"	80.974872
"1323872"	1285.466229	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Cl+NaCOOH"	102.956829
"915660"	1295.494986	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M-H+CF3COOH"	112.985586
"1296376"	1331.471664	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Cl+CF3COOH"	148.962264
"1375630"	1147.496724	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H-2H2O"	-35.012676
"1394221"	1165.5067	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H-H2O"	-17.0027
"292449"	2366.026076	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+H"	1.007276
"683047"	3548.535476	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+H"	1.007276
"1357210"	1183.516676	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H"	1.007276
"129368"	1183.516676	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+2H"	2.014552
"570755"	1774.771376	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+2H"	2.014552
"1039550"	592.261976	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2H"	2.014552
"215109"	789.346876	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+3H"	3.021828
"648111"	1183.516676	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+3H"	3.021828
"1173895"	395.177076	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+3H"	3.021828
"433884"	2383.052623	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+NH4"	18.033823
"795610"	3565.562023	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+NH4"	18.033823
"1694127"	1200.543223	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+NH4"	18.033823
"343135"	1192.0299495	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+H+NH4"	19.041099
"735190"	1783.2846495	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+H+NH4"	19.041099
"1487917"	600.7752495	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H+NH4"	19.041099
"404411"	2388.008018	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+Na"	22.989218
"762124"	3570.517418	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+Na"	22.989218
"1613504"	1205.498618	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Na"	22.989218
"324269"	1194.507647	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+H+Na"	23.996494
"709403"	1785.762347	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+H+Na"	23.996494
"1465412"	603.252947	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H+Na"	23.996494
"1053430"	402.50439	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2H+Na"	25.00377
"1259242"	1215.542886	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+CH3OH+H"	33.033486
"378912"	2403.981958	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+K"	38.963158
"744282"	3586.491358	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+K"	38.963158
"1546342"	1221.472558	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+K"	38.963158
"310077"	1202.494617	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+H+K"	39.970434
"697032"	1793.749317	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+H+K"	39.970434
"1451944"	611.239917	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H+K"	39.970434
"240545"	2407.052626	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+ACN+H"	42.033826
"1225044"	1224.543226	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+ACN+H"	42.033826
"1207710"	612.775251	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+ACN+2H"	43.041102
"200950"	2409.98996	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+2Na-H"	44.97116
"638320"	3592.49936	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+2Na-H"	44.97116
"1140734"	1227.48056	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2Na-H"	44.97116
"179649"	1205.498618	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+2Na"	45.978436
"618118"	1796.753318	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+2Na"	45.978436
"1117491"	614.243918	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2Na"	45.978436
"1401867"	409.831704	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H+2Na"	46.985712
"1441636"	1229.522146	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H+HCOOH"	47.012746
"225863"	1210.53164	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+3H2O+2H"	56.04448
"1513926"	1243.57419	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+IsoProp+H"	61.06479
"410334"	1213.485588	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+Na+K"	61.952376
"778984"	1804.740288	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+Na+K"	61.952376
"1672036"	622.230888	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Na+K"	61.952376
"255281"	2429.034568	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+ACN+Na"	64.015768
"1229079"	1246.525168	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+ACN+Na"	64.015768
"1719064"	1246.548693	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+NH4+HCOOH"	64.039293
"1181140"	417.159018	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+3Na"	68.967654
"1656502"	1251.504088	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Na+HCOOH"	68.994688
"158987"	2441.93784	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+2K-H"	76.91904
"599765"	3624.44724	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+2K-H"	76.91904
"1089624"	1259.42844	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2K-H"	76.91904
"146442"	1221.472558	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"2M+2K"	77.926316
"589285"	1812.727258	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"3M+2K"	77.926316
"1080359"	630.217858	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2K"	77.926316
"1114175"	1261.442992	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2K+H"	78.933592
"1350318"	1261.530607	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+DMSO+H"	79.021207
"1015203"	1265.569776	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2ACN+H"	83.060376
"1537702"	1266.563408	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+IsoProp+Na+H"	84.054008
"1004153"	633.288526	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+2ACN+2H"	84.067652
"1597563"	1267.478028	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+K+HCOOH"	84.968628
"1426502"	1297.509538	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+H+CF3COOH"	115.000138
"1160070"	653.801801	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+3ACN+2H"	125.094202
"1707438"	1314.536085	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+NH4+CF3COOH"	132.026685
"1649611"	1319.49148	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+Na+CF3COOH"	136.98208
"1576552"	1335.46542	"C13569"	"Chromomycin A3;Toyomycin;Aburamycin B"	"C57H82O26"	"1182.5094"	"M+K+CF3COOH"	152.95602
"803637"	1875.5409	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M"	0
"985919"	1856.52251	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-H2O-H"	-19.01839
"73067"	1249.353324	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M-3H"	-3.021828
"514816"	1874.533624	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M-3H"	-3.021828
"891159"	624.173024	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-3H"	-3.021828
"10098"	1874.533624	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M-2H"	-2.014552
"444189"	2812.304074	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M-2H"	-2.014552
"817494"	936.763174	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-2H"	-2.014552
"80891"	3750.074524	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M-H"	-1.007276
"525918"	5625.615424	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M-H"	-1.007276
"900441"	1874.533624	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-H"	-1.007276
"50440"	3767.101071	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M-2H+NH4"	16.019271
"487937"	5642.641971	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M-2H+NH4"	16.019271
"868896"	1891.560171	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-2H+NH4"	16.019271
"34972"	3772.056466	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M-2H+Na"	20.974666
"476359"	5647.597366	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M-2H+Na"	20.974666
"863281"	1896.515566	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-2H+Na"	20.974666
"1629168"	1896.515566	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Na-2H"	20.974666
"104602"	1892.521963	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M-H+Cl"	33.962126
"543073"	2830.292413	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M-H+Cl"	33.962126
"937321"	954.751513	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-H+Cl"	33.962126
"270773"	3786.051202	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+Cl"	34.969402
"666476"	5661.592102	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+Cl"	34.969402
"1277784"	1910.510302	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Cl"	34.969402
"16208"	3788.030406	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M-2H+K"	36.948606
"456862"	5663.571306	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M-2H+K"	36.948606
"834783"	1912.489506	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-2H+K"	36.948606
"1558271"	1912.489506	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+K-2H"	36.948606
"945790"	1920.539094	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-H+HCOOH"	44.998194
"365100"	3796.080001	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+HCOOH-H"	44.998201
"351534"	3810.095651	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+Hac-H"	59.013851
"1500003"	1934.554751	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Hac-H"	59.013851
"960980"	1942.521051	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-H+NaCOOH"	66.980151
"112078"	1910.510302	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+2Cl"	69.938804
"552370"	2848.280752	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+2Cl"	69.938804
"1027736"	972.739852	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2Cl"	69.938804
"1248775"	1954.459785	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Br"	78.918885
"1309402"	1956.515772	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Cl+HCOOH"	80.974872
"1323618"	1978.497729	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Cl+NaCOOH"	102.956829
"916134"	1988.526486	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M-H+CF3COOH"	112.985586
"1291746"	2024.503164	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Cl+CF3COOH"	148.962264
"1374647"	1840.528224	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H-2H2O"	-35.012676
"1391051"	1858.5382	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H-H2O"	-17.0027
"291829"	3752.089076	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+H"	1.007276
"682064"	5627.629976	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+H"	1.007276
"1356227"	1876.548176	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H"	1.007276
"130209"	1876.548176	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+2H"	2.014552
"570865"	2814.318626	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+2H"	2.014552
"1042942"	938.777726	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2H"	2.014552
"213032"	1251.367876	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+3H"	3.021828
"649314"	1876.548176	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+3H"	3.021828
"1176192"	626.187576	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+3H"	3.021828
"438004"	3769.115623	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+NH4"	18.033823
"796084"	5644.656523	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+NH4"	18.033823
"1693507"	1893.574723	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+NH4"	18.033823
"341786"	1885.0614495	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+H+NH4"	19.041099
"734207"	2822.8318995	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+H+NH4"	19.041099
"1486934"	947.2909995	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H+NH4"	19.041099
"404521"	3774.071018	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+Na"	22.989218
"766974"	5649.611918	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+Na"	22.989218
"1615438"	1898.530118	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Na"	22.989218
"325474"	1887.539147	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+H+Na"	23.996494
"709514"	2825.309597	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+H+Na"	23.996494
"1466615"	949.768697	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H+Na"	23.996494
"1053663"	633.51489	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2H+Na"	25.00377
"1258259"	1908.574386	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+CH3OH+H"	33.033486
"379386"	3790.044958	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+K"	38.963158
"742205"	5665.585858	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+K"	38.963158
"1547544"	1914.504058	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+K"	38.963158
"309093"	1895.526117	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+H+K"	39.970434
"700422"	2833.296567	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+H+K"	39.970434
"1454240"	957.755667	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H+K"	39.970434
"243935"	3793.115626	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+ACN+H"	42.033826
"1223208"	1917.574726	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+ACN+H"	42.033826
"1207091"	959.291001	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+ACN+2H"	43.041102
"200331"	3796.05296	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+2Na-H"	44.97116
"637336"	5671.59386	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+2Na-H"	44.97116
"1140845"	1920.51206	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2Na-H"	44.97116
"180853"	1898.530118	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+2Na"	45.978436
"618228"	2836.300568	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+2Na"	45.978436
"1118452"	960.759668	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2Na"	45.978436
"1401977"	640.842204	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H+2Na"	46.985712
"1436279"	1922.553646	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H+HCOOH"	47.012746
"225973"	1903.56314	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+3H2O+2H"	56.04448
"1511849"	1936.60569	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+IsoProp+H"	61.06479
"410444"	1906.517088	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+Na+K"	61.952376
"776907"	2844.287538	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+Na+K"	61.952376
"1673238"	968.746638	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Na+K"	61.952376
"255390"	3815.097568	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+ACN+Na"	64.015768
"1232104"	1939.556668	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+ACN+Na"	64.015768
"1715893"	1939.580193	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+NH4+HCOOH"	64.039293
"1182343"	648.169518	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+3Na"	68.967654
"1657705"	1944.535588	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Na+HCOOH"	68.994688
"161284"	3828.00084	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+2K-H"	76.91904
"601940"	5703.54174	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+2K-H"	76.91904
"1087546"	1952.45994	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2K-H"	76.91904
"148738"	1914.504058	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"2M+2K"	77.926316
"589395"	2852.274508	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"3M+2K"	77.926316
"1079376"	976.733608	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2K"	77.926316
"1111490"	1954.474492	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2K+H"	78.933592
"1344595"	1954.562107	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+DMSO+H"	79.021207
"1012033"	1958.601276	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2ACN+H"	83.060376
"1534532"	1959.594908	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+IsoProp+Na+H"	84.054008
"1004260"	979.804276	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+2ACN+2H"	84.067652
"1596579"	1960.509528	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+K+HCOOH"	84.968628
"1426612"	1990.541038	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+H+CF3COOH"	115.000138
"1160180"	1000.317551	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+3ACN+2H"	125.094202
"1707548"	2007.567585	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+NH4+CF3COOH"	132.026685
"1649721"	2012.52298	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+Na+CF3COOH"	136.98208
"1576662"	2028.49692	"C13587"	"Teicoplanin A2-1;Teichomycin A2 factor 1"	"C88H95Cl2N9O33"	"1875.5409"	"M+K+CF3COOH"	152.95602
"803747"	1877.5566	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M"	0
"988216"	1858.53821	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-H2O-H"	-19.01839
"70991"	1250.697124	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M-3H"	-3.021828
"517115"	1876.549324	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M-3H"	-3.021828
"891635"	624.844924	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-3H"	-3.021828
"11301"	1876.549324	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H"	-2.014552
"446486"	2815.327624	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H"	-2.014552
"822102"	937.771024	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H"	-2.014552
"89748"	3754.105924	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M-H"	-1.007276
"526029"	5631.662524	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M-H"	-1.007276
"901643"	1876.549324	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-H"	-1.007276
"53830"	3771.132471	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H+NH4"	16.019271
"492297"	5648.689071	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H+NH4"	16.019271
"871193"	1893.575871	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H+NH4"	16.019271
"36175"	3776.087866	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H+Na"	20.974666
"476469"	5653.644466	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H+Na"	20.974666
"857559"	1898.531266	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H+Na"	20.974666
"1622718"	1898.531266	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na-2H"	20.974666
"99245"	1894.537663	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M-H+Cl"	33.962126
"539903"	2833.315963	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M-H+Cl"	33.962126
"935609"	955.759363	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+Cl"	33.962126
"270155"	3790.082602	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Cl"	34.969402
"666950"	5667.639202	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+Cl"	34.969402
"1276801"	1912.526002	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl"	34.969402
"17411"	3792.061806	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M-2H+K"	36.948606
"455844"	5669.618406	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M-2H+K"	36.948606
"832888"	1914.505206	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-2H+K"	36.948606
"1557289"	1914.505206	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+K-2H"	36.948606
"945901"	1922.554794	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+HCOOH"	44.998194
"364482"	3800.111401	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+HCOOH-H"	44.998201
"349458"	3814.127051	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Hac-H"	59.013851
"1499385"	1936.570451	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Hac-H"	59.013851
"958821"	1944.536751	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+NaCOOH"	66.980151
"114013"	1912.526002	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2Cl"	69.938804
"552844"	2851.304302	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2Cl"	69.938804
"1026751"	973.747702	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2Cl"	69.938804
"1251072"	1956.475485	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Br"	78.918885
"1309876"	1958.531472	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl+HCOOH"	80.974872
"1325549"	1980.513429	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl+NaCOOH"	102.956829
"915880"	1990.542186	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M-H+CF3COOH"	112.985586
"1295503"	2026.518864	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Cl+CF3COOH"	148.962264
"1374757"	1842.543924	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H-2H2O"	-35.012676
"1394077"	1860.5539	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H-H2O"	-17.0027
"288659"	3756.120476	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H"	1.007276
"682174"	5633.677076	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H"	1.007276
"1354150"	1878.563876	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H"	1.007276
"128132"	1878.563876	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2H"	2.014552
"569152"	2817.342176	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2H"	2.014552
"1039772"	939.785576	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2H"	2.014552
"209862"	1252.711676	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+3H"	3.021828
"649424"	1878.563876	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+3H"	3.021828
"1170831"	626.859476	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+3H"	3.021828
"434105"	3773.147023	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+NH4"	18.033823
"794005"	5650.703623	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+NH4"	18.033823
"1690337"	1895.590423	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+NH4"	18.033823
"338615"	1887.0771495	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H+NH4"	19.041099
"732129"	2825.8554495	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H+NH4"	19.041099
"1483764"	948.2988495	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+NH4"	19.041099
"401350"	3778.102418	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Na"	22.989218
"762343"	5655.659018	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+Na"	22.989218
"1610444"	1900.545818	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na"	22.989218
"321574"	1889.554847	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H+Na"	23.996494
"709989"	2828.333147	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H+Na"	23.996494
"1466726"	950.776547	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+Na"	23.996494
"1053652"	634.18679	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2H+Na"	25.00377
"1259463"	1910.590086	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+CH3OH+H"	33.033486
"380226"	3794.076358	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+K"	38.963158
"743408"	5671.632958	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+K"	38.963158
"1548748"	1916.519758	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+K"	38.963158
"309204"	1897.541817	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+H+K"	39.970434
"701626"	2836.320117	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+H+K"	39.970434
"1456538"	958.763517	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+K"	39.970434
"246233"	3797.147026	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+ACN+H"	42.033826
"1220039"	1919.590426	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+ACN+H"	42.033826
"1207568"	960.298851	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+ACN+2H"	43.041102
"198982"	3800.08436	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2Na-H"	44.97116
"637448"	5677.64096	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2Na-H"	44.97116
"1138767"	1922.52776	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2Na-H"	44.97116
"178774"	1900.545818	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2Na"	45.978436
"617244"	2839.324118	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2Na"	45.978436
"1120746"	961.767518	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2Na"	45.978436
"1404272"	641.514104	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+2Na"	46.985712
"1437482"	1924.569346	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+HCOOH"	47.012746
"227176"	1905.57884	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+3H2O+2H"	56.04448
"1513412"	1938.62139	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+IsoProp+H"	61.06479
"411280"	1908.532788	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+Na+K"	61.952376
"778110"	2847.311088	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+Na+K"	61.952376
"1676629"	969.754488	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na+K"	61.952376
"254407"	3819.128968	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+ACN+Na"	64.015768
"1232577"	1941.572368	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+ACN+Na"	64.015768
"1714907"	1941.595893	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+NH4+HCOOH"	64.039293
"1179170"	648.841418	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+3Na"	68.967654
"1650646"	1946.551288	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na+HCOOH"	68.994688
"158478"	3832.03224	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2K-H"	76.91904
"598891"	5709.58884	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2K-H"	76.91904
"1087656"	1954.47564	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2K-H"	76.91904
"145568"	1916.519758	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"2M+2K"	77.926316
"589505"	2855.298058	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"3M+2K"	77.926316
"1077299"	977.741458	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2K"	77.926316
"1108320"	1956.490192	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2K+H"	78.933592
"1341425"	1956.577807	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+DMSO+H"	79.021207
"1013236"	1960.616976	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2ACN+H"	83.060376
"1529175"	1961.610608	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+IsoProp+Na+H"	84.054008
"997810"	980.812126	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+2ACN+2H"	84.067652
"1594501"	1962.525228	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+K+HCOOH"	84.968628
"1420161"	1992.556738	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+H+CF3COOH"	115.000138
"1153729"	1001.325401	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+3ACN+2H"	125.094202
"1708751"	2009.583285	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+NH4+CF3COOH"	132.026685
"1649629"	2014.53868	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+Na+CF3COOH"	136.98208
"1577865"	2030.51262	"C13588"	"Teicoplanin A2-3;Teichomycin A2 factor 3"	"C88H97Cl2N9O33"	"1877.5566"	"M+K+CF3COOH"	152.95602
"806043"	345.1707	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M"	0
"988326"	326.15231	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-H2O-H"	-19.01839
"72194"	229.106524	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M-3H"	-3.021828
"516132"	344.163424	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M-3H"	-3.021828
"892838"	114.049624	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-3H"	-3.021828
"9224"	344.163424	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M-2H"	-2.014552
"446596"	516.748774	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M-2H"	-2.014552
"822212"	171.578074	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-2H"	-2.014552
"81111"	689.334124	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M-H"	-1.007276
"522858"	1034.504824	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M-H"	-1.007276
"899565"	344.163424	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-H"	-1.007276
"50661"	706.360671	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M-2H+NH4"	16.019271
"496781"	1051.531371	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M-2H+NH4"	16.019271
"867657"	361.189971	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-2H+NH4"	16.019271
"35556"	711.316066	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M-2H+Na"	20.974666
"475486"	1056.486766	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M-2H+Na"	20.974666
"848958"	366.145366	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-2H+Na"	20.974666
"1621005"	366.145366	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Na-2H"	20.974666
"101542"	362.151763	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M-H+Cl"	33.962126
"537820"	534.737113	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M-H+Cl"	33.962126
"932433"	189.566413	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-H+Cl"	33.962126
"268802"	725.310802	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+Cl"	34.969402
"666696"	1070.481502	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+Cl"	34.969402
"1274724"	380.140102	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Cl"	34.969402
"16549"	727.290006	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M-2H+K"	36.948606
"455905"	1072.460706	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M-2H+K"	36.948606
"834641"	382.119306	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-2H+K"	36.948606
"1557764"	382.119306	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+K-2H"	36.948606
"947105"	390.168894	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-H+HCOOH"	44.998194
"367508"	735.339601	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+HCOOH-H"	44.998201
"352484"	749.355251	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+Hac-H"	59.013851
"1500224"	404.184551	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Hac-H"	59.013851
"959256"	412.150851	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-H+NaCOOH"	66.980151
"116676"	380.140102	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+2Cl"	69.938804
"553318"	552.725452	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+2Cl"	69.938804
"1024309"	207.554752	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2Cl"	69.938804
"1245346"	424.089585	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Br"	78.918885
"1312535"	426.145572	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Cl+HCOOH"	80.974872
"1323105"	448.127529	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Cl+NaCOOH"	102.956829
"916717"	458.156286	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M-H+CF3COOH"	112.985586
"1298893"	494.132964	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Cl+CF3COOH"	148.962264
"1375231"	310.158024	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H-2H2O"	-35.012676
"1394187"	328.168	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H-H2O"	-17.0027
"288769"	691.348676	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+H"	1.007276
"677179"	1036.519376	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+H"	1.007276
"1356083"	346.177976	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H"	1.007276
"128242"	346.177976	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+2H"	2.014552
"571084"	518.763326	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+2H"	2.014552
"1040976"	173.592626	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2H"	2.014552
"212159"	231.121076	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+3H"	3.021828
"649534"	346.177976	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+3H"	3.021828
"1175319"	116.064176	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+3H"	3.021828
"432031"	708.375223	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+NH4"	18.033823
"793027"	1053.545923	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+NH4"	18.033823
"1690449"	363.204523	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+NH4"	18.033823
"340912"	354.6912495	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+H+NH4"	19.041099
"731146"	527.2765995	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+H+NH4"	19.041099
"1483874"	182.1058995	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H+NH4"	19.041099
"402553"	713.330618	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+Na"	22.989218
"762453"	1058.501318	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+Na"	22.989218
"1611648"	368.159918	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Na"	22.989218
"322776"	357.168947	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+H+Na"	23.996494
"710829"	529.754297	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+H+Na"	23.996494
"1469023"	184.583597	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H+Na"	23.996494
"1058989"	123.39149	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2H+Na"	25.00377
"1260666"	378.204186	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+CH3OH+H"	33.033486
"385804"	729.304558	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+K"	38.963158
"744611"	1074.475258	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+K"	38.963158
"1548857"	384.133858	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+K"	38.963158
"307126"	365.155917	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+H+K"	39.970434
"698455"	537.741267	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+H+K"	39.970434
"1452274"	192.570567	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H+K"	39.970434
"243061"	732.375226	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+ACN+H"	42.033826
"1219051"	387.204526	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+ACN+H"	42.033826
"1202938"	194.105901	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+ACN+2H"	43.041102
"197998"	735.31256	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+2Na-H"	44.97116
"637558"	1080.48326	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+2Na-H"	44.97116
"1135596"	390.14186	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2Na-H"	44.97116
"177792"	368.159918	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+2Na"	45.978436
"617354"	540.745268	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+2Na"	45.978436
"1117579"	195.574568	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2Na"	45.978436
"1402197"	130.718804	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H+2Na"	46.985712
"1435405"	392.183446	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H+HCOOH"	47.012746
"225101"	373.19294	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+3H2O+2H"	56.04448
"1512067"	406.23549	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+IsoProp+H"	61.06479
"413938"	376.146888	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+Na+K"	61.952376
"778220"	548.732238	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+Na+K"	61.952376
"1673096"	203.561538	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Na+K"	61.952376
"255610"	754.357168	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+ACN+Na"	64.015768
"1230866"	409.186468	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+ACN+Na"	64.015768
"1715383"	409.209993	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+NH4+HCOOH"	64.039293
"1179646"	138.046118	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+3Na"	68.967654
"1650999"	414.165388	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Na+HCOOH"	68.994688
"160412"	767.26044	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+2K-H"	76.91904
"598515"	1112.43114	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+2K-H"	76.91904
"1092142"	422.08974	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2K-H"	76.91904
"152238"	384.133858	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"2M+2K"	77.926316
"592895"	556.719208	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"3M+2K"	77.926316
"1079962"	211.548508	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2K"	77.926316
"1112803"	424.104292	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2K+H"	78.933592
"1345907"	424.191907	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+DMSO+H"	79.021207
"1016625"	428.231076	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2ACN+H"	83.060376
"1533657"	429.224708	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+IsoProp+Na+H"	84.054008
"1001199"	214.619176	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+2ACN+2H"	84.067652
"1595705"	430.139328	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+K+HCOOH"	84.968628
"1423550"	460.170838	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+H+CF3COOH"	115.000138
"1157118"	235.132451	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+3ACN+2H"	125.094202
"1711048"	477.197385	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+NH4+CF3COOH"	132.026685
"1649250"	482.15278	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+Na+CF3COOH"	136.98208
"1577975"	498.12672	"C13591"	"Metipranolol hydrochloride"	"C17H27NO4HCl"	"345.1707"	"M+K+CF3COOH"	152.95602
"803967"	1891.5722	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M"	0
"988436"	1872.55381	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-H2O-H"	-19.01839
"71211"	1260.04085733333	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M-3H"	-3.021828
"516241"	1890.564924	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M-3H"	-3.021828
"890760"	629.516790666667	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-3H"	-3.021828
"9333"	1890.564924	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H"	-2.014552
"445613"	2836.351024	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H"	-2.014552
"820135"	944.778824	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H"	-2.014552
"81221"	3782.137124	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M-H"	-1.007276
"520416"	5673.709324	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M-H"	-1.007276
"897851"	1890.564924	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-H"	-1.007276
"49675"	3799.163671	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H+NH4"	16.019271
"493611"	5690.735871	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H+NH4"	16.019271
"867038"	1907.591471	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H+NH4"	16.019271
"36395"	3804.119066	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H+Na"	20.974666
"474503"	5695.691266	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H+Na"	20.974666
"849270"	1912.546866	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H+Na"	20.974666
"1621115"	1912.546866	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na-2H"	20.974666
"102745"	1908.553263	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M-H+Cl"	33.962126
"536837"	2854.339363	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M-H+Cl"	33.962126
"933633"	962.767163	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+Cl"	33.962126
"269033"	3818.113802	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Cl"	34.969402
"666806"	5709.686002	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+Cl"	34.969402
"1274834"	1926.541602	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl"	34.969402
"15969"	3820.093006	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H+K"	36.948606
"455973"	5711.665206	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H+K"	36.948606
"835115"	1928.520806	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H+K"	36.948606
"1557144"	1928.520806	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+K-2H"	36.948606
"944297"	1936.570394	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+HCOOH"	44.998194
"366159"	3828.142601	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+HCOOH-H"	44.998201
"352594"	3842.158251	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Hac-H"	59.013851
"1498875"	1950.586051	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Hac-H"	59.013851
"959853"	1958.552351	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+NaCOOH"	66.980151
"111680"	1926.541602	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2Cl"	69.938804
"551242"	2872.327702	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2Cl"	69.938804
"1024419"	980.755502	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2Cl"	69.938804
"1244728"	1970.491085	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Br"	78.918885
"1312645"	1972.547072	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl+HCOOH"	80.974872
"1323215"	1994.529029	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl+NaCOOH"	102.956829
"920108"	2004.557786	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+CF3COOH"	112.985586
"1297910"	2040.534464	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl+CF3COOH"	148.962264
"1376070"	1856.559524	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H-2H2O"	-35.012676
"1387371"	1874.5695	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H-H2O"	-17.0027
"285598"	3784.151676	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H"	1.007276
"676559"	5675.723876	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H"	1.007276
"1354370"	1892.579476	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H"	1.007276
"128352"	1892.579476	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2H"	2.014552
"570101"	2838.365576	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2H"	2.014552
"1039993"	946.793376	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2H"	2.014552
"206802"	1262.05540933333	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+3H"	3.021828
"650737"	1892.579476	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+3H"	3.021828
"1176521"	631.531342666667	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+3H"	3.021828
"432137"	3801.178223	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+NH4"	18.033823
"793132"	5692.750423	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+NH4"	18.033823
"1690557"	1909.606023	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+NH4"	18.033823
"336648"	1901.0927495	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H+NH4"	19.041099
"731255"	2846.8788495	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H+NH4"	19.041099
"1482889"	955.3066495	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+NH4"	19.041099
"399384"	3806.133618	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Na"	22.989218
"760378"	5697.705818	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+Na"	22.989218
"1606289"	1914.561418	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na"	22.989218
"321792"	1903.570447	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H+Na"	23.996494
"710208"	2849.356547	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H+Na"	23.996494
"1466946"	957.784347	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+Na"	23.996494
"1058005"	638.858656666667	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2H+Na"	25.00377
"1264057"	1924.605686	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+CH3OH+H"	33.033486
"383727"	3822.107558	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+K"	38.963158
"741444"	5713.679758	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+K"	38.963158
"1547874"	1930.535358	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+K"	38.963158
"306143"	1911.557417	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H+K"	39.970434
"699659"	2857.343517	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H+K"	39.970434
"1452385"	965.771317	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+K"	39.970434
"242078"	3825.178226	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+ACN+H"	42.033826
"1218067"	1933.606026	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+ACN+H"	42.033826
"1205235"	967.306651	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+ACN+2H"	43.041102
"199202"	3828.11556	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2Na-H"	44.97116
"637668"	5719.68776	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2Na-H"	44.97116
"1141174"	1936.54336	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2Na-H"	44.97116
"180089"	1914.561418	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2Na"	45.978436
"618558"	2860.347518	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2Na"	45.978436
"1119875"	968.775318	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2Na"	45.978436
"1402307"	646.185970666667	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+2Na"	46.985712
"1434422"	1938.584946	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+HCOOH"	47.012746
"227398"	1919.59444	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+3H2O+2H"	56.04448
"1511813"	1952.63699	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+IsoProp+H"	61.06479
"414048"	1922.548388	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Na+K"	61.952376
"779426"	2868.334488	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+Na+K"	61.952376
"1673571"	976.762288	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na+K"	61.952376
"255720"	3847.160168	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+ACN+Na"	64.015768
"1229157"	1955.587968	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+ACN+Na"	64.015768
"1718410"	1955.611493	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+NH4+HCOOH"	64.039293
"1180120"	653.513284666667	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+3Na"	68.967654
"1654754"	1960.566888	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na+HCOOH"	68.994688
"165989"	3860.06344	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2K-H"	76.91904
"598745"	5751.63564	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2K-H"	76.91904
"1094438"	1968.49124	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2K-H"	76.91904
"147973"	1930.535358	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2K"	77.926316
"588629"	2876.321458	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2K"	77.926316
"1079344"	984.749258	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2K"	77.926316
"1111819"	1970.505792	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2K+H"	78.933592
"1346017"	1970.593407	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+DMSO+H"	79.021207
"1015642"	1974.632576	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2ACN+H"	83.060376
"1534861"	1975.626208	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+IsoProp+Na+H"	84.054008
"998029"	987.819926	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+2ACN+2H"	84.067652
"1595814"	1976.540828	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+K+HCOOH"	84.968628
"1422567"	2006.572338	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+CF3COOH"	115.000138
"1156135"	1008.333201	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+3ACN+2H"	125.094202
"1706783"	2023.598885	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+NH4+CF3COOH"	132.026685
"1648996"	2028.55428	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na+CF3COOH"	136.98208
"1578085"	2044.52822	"C13610"	"Teicoplanin A2-4;Teichomycin A2 factor 4"	"C89H99Cl2N9O33"	"1891.5722"	"M+K+CF3COOH"	152.95602
"805170"	1891.5722	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M"	0
"981985"	1872.55381	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-H2O-H"	-19.01839
"71321"	1260.04085733333	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M-3H"	-3.021828
"517891"	1890.564924	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M-3H"	-3.021828
"889777"	629.516790666667	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-3H"	-3.021828
"8350"	1890.564924	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H"	-2.014552
"445723"	2836.351024	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H"	-2.014552
"820242"	944.778824	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H"	-2.014552
"81331"	3782.137124	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M-H"	-1.007276
"521984"	5673.709324	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M-H"	-1.007276
"897601"	1890.564924	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-H"	-1.007276
"50151"	3799.163671	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H+NH4"	16.019271
"493721"	5690.735871	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H+NH4"	16.019271
"866057"	1907.591471	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H+NH4"	16.019271
"35050"	3804.119066	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H+Na"	20.974666
"471858"	5695.691266	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H+Na"	20.974666
"849259"	1912.546866	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H+Na"	20.974666
"1624141"	1912.546866	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na-2H"	20.974666
"99575"	1908.553263	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M-H+Cl"	33.962126
"538040"	2854.339363	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M-H+Cl"	33.962126
"933743"	962.767163	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+Cl"	33.962126
"269022"	3818.113802	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Cl"	34.969402
"668010"	5709.686002	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+Cl"	34.969402
"1274944"	1926.541602	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl"	34.969402
"16322"	3820.093006	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M-2H+K"	36.948606
"459612"	5711.665206	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M-2H+K"	36.948606
"836321"	1928.520806	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-2H+K"	36.948606
"1556405"	1928.520806	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+K-2H"	36.948606
"944407"	1936.570394	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+HCOOH"	44.998194
"364447"	3828.142601	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+HCOOH-H"	44.998201
"352704"	3842.158251	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Hac-H"	59.013851
"1500444"	1950.586051	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Hac-H"	59.013851
"960693"	1958.552351	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+NaCOOH"	66.980151
"110572"	1926.541602	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2Cl"	69.938804
"551352"	2872.327702	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2Cl"	69.938804
"1025989"	980.755502	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2Cl"	69.938804
"1245933"	1970.491085	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Br"	78.918885
"1316038"	1972.547072	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl+HCOOH"	80.974872
"1332074"	1994.529029	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl+NaCOOH"	102.956829
"921313"	2004.557786	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M-H+CF3COOH"	112.985586
"1298020"	2040.534464	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Cl+CF3COOH"	148.962264
"1375087"	1856.559524	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H-2H2O"	-35.012676
"1389305"	1874.5695	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H-H2O"	-17.0027
"285709"	3784.151676	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H"	1.007276
"677400"	5675.723876	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H"	1.007276
"1353751"	1892.579476	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H"	1.007276
"128462"	1892.579476	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2H"	2.014552
"569117"	2838.365576	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2H"	2.014552
"1038279"	946.793376	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2H"	2.014552
"209099"	1262.05540933333	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+3H"	3.021828
"655952"	1892.579476	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+3H"	3.021828
"1176271"	631.531342666667	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+3H"	3.021828
"436623"	3801.178223	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+NH4"	18.033823
"797620"	5692.750423	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+NH4"	18.033823
"1692855"	1909.606023	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+NH4"	18.033823
"340041"	1901.0927495	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H+NH4"	19.041099
"729181"	2846.8788495	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H+NH4"	19.041099
"1483002"	955.3066495	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+NH4"	19.041099
"397308"	3806.133618	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Na"	22.989218
"759395"	5697.705818	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+Na"	22.989218
"1608588"	1914.561418	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na"	22.989218
"318624"	1903.570447	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H+Na"	23.996494
"717613"	2849.356547	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H+Na"	23.996494
"1473621"	957.784347	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+Na"	23.996494
"1059209"	638.858656666667	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2H+Na"	25.00377
"1266353"	1924.605686	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+CH3OH+H"	33.033486
"382744"	3822.107558	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+K"	38.963158
"740825"	5713.679758	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+K"	38.963158
"1550170"	1930.535358	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+K"	38.963158
"306253"	1911.557417	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+H+K"	39.970434
"699768"	2857.343517	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+H+K"	39.970434
"1452494"	965.771317	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+K"	39.970434
"243281"	3825.178226	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+ACN+H"	42.033826
"1219271"	1933.606026	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+ACN+H"	42.033826
"1204251"	967.306651	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+ACN+2H"	43.041102
"200041"	3828.11556	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2Na-H"	44.97116
"639964"	5719.68776	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2Na-H"	44.97116
"1143106"	1936.54336	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2Na-H"	44.97116
"183479"	1914.561418	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2Na"	45.978436
"617574"	2860.347518	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2Na"	45.978436
"1118893"	968.775318	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2Na"	45.978436
"1399500"	646.185970666667	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+2Na"	46.985712
"1434532"	1938.584946	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+HCOOH"	47.012746
"225321"	1919.59444	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+3H2O+2H"	56.04448
"1509614"	1952.63699	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+IsoProp+H"	61.06479
"413066"	1922.548388	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+Na+K"	61.952376
"779536"	2868.334488	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+Na+K"	61.952376
"1671493"	976.762288	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na+K"	61.952376
"254737"	3847.160168	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+ACN+Na"	64.015768
"1229632"	1955.587968	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+ACN+Na"	64.015768
"1722894"	1955.611493	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+NH4+HCOOH"	64.039293
"1184971"	653.513284666667	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+3Na"	68.967654
"1655958"	1960.566888	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na+HCOOH"	68.994688
"160632"	3860.06344	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2K-H"	76.91904
"600193"	5751.63564	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2K-H"	76.91904
"1092361"	1968.49124	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2K-H"	76.91904
"146990"	1930.535358	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"2M+2K"	77.926316
"587646"	2876.321458	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"3M+2K"	77.926316
"1080545"	984.749258	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2K"	77.926316
"1110836"	1970.505792	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2K+H"	78.933592
"1345033"	1970.593407	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+DMSO+H"	79.021207
"1012470"	1974.632576	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2ACN+H"	83.060376
"1537157"	1975.626208	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+IsoProp+Na+H"	84.054008
"1000324"	987.819926	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+2ACN+2H"	84.067652
"1599203"	1976.540828	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+K+HCOOH"	84.968628
"1425957"	2006.572338	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+H+CF3COOH"	115.000138
"1156245"	1008.333201	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+3ACN+2H"	125.094202
"1707986"	2023.598885	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+NH4+CF3COOH"	132.026685
"1648741"	2028.55428	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+Na+CF3COOH"	136.98208
"1578195"	2044.52822	"C13612"	"Teicoplanin A2-5;Teichomycin A2 factor 5"	"C89H99Cl2N9O33"	"1891.5722"	"M+K+CF3COOH"	152.95602
"804187"	1562.352	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M"	0
"982095"	1543.33361	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-H2O-H"	-19.01839
"71431"	1040.560724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M-3H"	-3.021828
"515367"	1561.344724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M-3H"	-3.021828
"887700"	519.776724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-3H"	-3.021828
"601"	1561.344724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M-2H"	-2.014552
"441213"	2342.520724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M-2H"	-2.014552
"819258"	780.168724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-2H"	-2.014552
"78718"	3123.696724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M-H"	-1.007276
"519538"	4686.048724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M-H"	-1.007276
"896975"	1561.344724	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-H"	-1.007276
"48800"	3140.723271	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M-2H+NH4"	16.019271
"488360"	4703.075271	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M-2H+NH4"	16.019271
"865798"	1578.371271	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-2H+NH4"	16.019271
"32725"	3145.678666	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M-2H+Na"	20.974666
"471717"	4708.030666	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M-2H+Na"	20.974666
"849248"	1583.326666	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-2H+Na"	20.974666
"1626438"	1583.326666	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Na-2H"	20.974666
"99685"	1579.333063	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M-H+Cl"	33.962126
"537057"	2360.509063	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M-H+Cl"	33.962126
"928386"	798.157063	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-H+Cl"	33.962126
"267250"	3159.673402	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+Cl"	34.969402
"659998"	4722.025402	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+Cl"	34.969402
"1273177"	1597.321402	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Cl"	34.969402
"15936"	3161.652606	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M-2H+K"	36.948606
"456927"	4724.004606	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M-2H+K"	36.948606
"836067"	1599.300606	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-2H+K"	36.948606
"1555726"	1599.300606	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+K-2H"	36.948606
"943095"	1607.350194	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-H+HCOOH"	44.998194
"362370"	3169.702201	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+HCOOH-H"	44.998201
"347711"	3183.717851	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+Hac-H"	59.013851
"1493263"	1621.365851	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Hac-H"	59.013851
"960073"	1629.332151	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-H+NaCOOH"	66.980151
"110139"	1597.321402	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+2Cl"	69.938804
"550734"	2378.497402	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+2Cl"	69.938804
"1025371"	816.145402	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2Cl"	69.938804
"1246043"	1641.270885	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Br"	78.918885
"1315055"	1643.326872	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Cl+HCOOH"	80.974872
"1332548"	1665.308829	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Cl+NaCOOH"	102.956829
"923610"	1675.337586	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M-H+CF3COOH"	112.985586
"1298130"	1711.314264	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Cl+CF3COOH"	148.962264
"1374104"	1527.339324	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H-2H2O"	-35.012676
"1393789"	1545.3493	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H-H2O"	-17.0027
"285819"	3125.711276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+H"	1.007276
"680426"	4688.063276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+H"	1.007276
"1352768"	1563.359276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H"	1.007276
"128572"	1563.359276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+2H"	2.014552
"568134"	2344.535276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+2H"	2.014552
"1037780"	782.183276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2H"	2.014552
"209209"	1042.575276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+3H"	3.021828
"656426"	1563.359276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+3H"	3.021828
"1177598"	521.791276	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+3H"	3.021828
"433456"	3142.737823	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+NH4"	18.033823
"795544"	4705.089823	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+NH4"	18.033823
"1691872"	1580.385823	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+NH4"	18.033823
"340151"	1571.8725495	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+H+NH4"	19.041099
"727103"	2353.0485495	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+H+NH4"	19.041099
"1483112"	790.6965495	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H+NH4"	19.041099
"397418"	3147.693218	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+Na"	22.989218
"761691"	4710.045218	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+Na"	22.989218
"1608698"	1585.341218	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Na"	22.989218
"317641"	1574.350247	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+H+Na"	23.996494
"714443"	2355.526247	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+H+Na"	23.996494
"1470449"	793.174247	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H+Na"	23.996494
"1060413"	529.11859	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2H+Na"	25.00377
"1261001"	1595.385486	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+CH3OH+H"	33.033486
"383946"	3163.667158	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+K"	38.963158
"742756"	4726.019158	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+K"	38.963158
"1542258"	1601.315158	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+K"	38.963158
"300167"	1582.337217	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+H+K"	39.970434
"695505"	2363.513217	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+H+K"	39.970434
"1449324"	801.161217	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H+K"	39.970434
"240112"	3166.737826	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+ACN+H"	42.033826
"1213915"	1604.385826	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+ACN+H"	42.033826
"1202174"	802.696551	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+ACN+2H"	43.041102
"193955"	3169.67516	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+2Na-H"	44.97116
"634610"	4732.02716	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+2Na-H"	44.97116
"1138114"	1607.32316	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2Na-H"	44.97116
"177031"	1585.341218	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+2Na"	45.978436
"614645"	2366.517218	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+2Na"	45.978436
"1119003"	804.165218	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2Na"	45.978436
"1399610"	536.445904	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H+2Na"	46.985712
"1430344"	1609.364746	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H+HCOOH"	47.012746
"220200"	1590.37424	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+3H2O+2H"	56.04448
"1508513"	1623.41679	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+IsoProp+H"	61.06479
"409165"	1593.328188	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+Na+K"	61.952376
"779646"	2374.504188	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+Na+K"	61.952376
"1672696"	812.152188	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Na+K"	61.952376
"259220"	3188.719768	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+ACN+Na"	64.015768
"1233022"	1626.367768	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+ACN+Na"	64.015768
"1721912"	1626.391293	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+NH4+HCOOH"	64.039293
"1182894"	543.773218	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+3Na"	68.967654
"1650112"	1631.346688	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Na+HCOOH"	68.994688
"158190"	3201.62304	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+2K-H"	76.91904
"598117"	4763.97504	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+2K-H"	76.91904
"1089191"	1639.27104	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2K-H"	76.91904
"146007"	1601.315158	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"2M+2K"	77.926316
"587756"	2382.491158	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"3M+2K"	77.926316
"1079926"	820.139158	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2K"	77.926316
"1109853"	1641.285592	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2K+H"	78.933592
"1344050"	1641.373207	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+DMSO+H"	79.021207
"1011486"	1645.412376	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2ACN+H"	83.060376
"1535080"	1646.406008	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+IsoProp+Na+H"	84.054008
"994967"	823.209826	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+2ACN+2H"	84.067652
"1599313"	1647.320628	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+K+HCOOH"	84.968628
"1427159"	1677.352138	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+H+CF3COOH"	115.000138
"1157448"	843.723101	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+3ACN+2H"	125.094202
"1708096"	1694.378685	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+NH4+CF3COOH"	132.026685
"1648851"	1699.33408	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+Na+CF3COOH"	136.98208
"1575025"	1715.30802	"C13613"	"Teicoplanin A3-1"	"C72H68Cl2N8O28"	"1562.352"	"M+K+CF3COOH"	152.95602
"804297"	197.8279	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M"	0
"981111"	178.80951	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-H2O-H"	-19.01839
"72634"	130.877990666667	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M-3H"	-3.021828
"516570"	196.820624	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M-3H"	-3.021828
"888903"	64.9353573333333	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-3H"	-3.021828
"913"	196.820624	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M-2H"	-2.014552
"442661"	295.734574	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M-2H"	-2.014552
"820461"	97.906674	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-2H"	-2.014552
"79118"	394.648524	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M-H"	-1.007276
"521107"	592.476424	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M-H"	-1.007276
"898908"	196.820624	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-H"	-1.007276
"50005"	411.675071	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M-2H+NH4"	16.019271
"489199"	609.502971	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M-2H+NH4"	16.019271
"866635"	213.847171	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-2H+NH4"	16.019271
"33926"	416.630466	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M-2H+Na"	20.974666
"472516"	614.458366	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M-2H+Na"	20.974666
"848707"	218.802566	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-2H+Na"	20.974666
"1629828"	218.802566	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Na-2H"	20.974666
"99795"	214.808963	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M-H+Cl"	33.962126
"537167"	313.722913	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M-H+Cl"	33.962126
"927766"	115.895013	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-H+Cl"	33.962126
"267211"	430.625202	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+Cl"	34.969402
"659988"	628.453102	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+Cl"	34.969402
"1273697"	232.797302	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Cl"	34.969402
"15900"	432.604406	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M-2H+K"	36.948606
"455822"	630.432306	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M-2H+K"	36.948606
"833049"	234.776506	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-2H+K"	36.948606
"1555767"	234.776506	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+K-2H"	36.948606
"943164"	242.826094	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-H+HCOOH"	44.998194
"364301"	440.654001	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+HCOOH-H"	44.998201
"348184"	454.669651	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+Hac-H"	59.013851
"1493374"	256.841751	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Hac-H"	59.013851
"960911"	264.808051	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-H+NaCOOH"	66.980151
"111646"	232.797302	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+2Cl"	69.938804
"552665"	331.711252	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+2Cl"	69.938804
"1021823"	133.883352	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2Cl"	69.938804
"1244328"	276.746785	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Br"	78.918885
"1314072"	278.802772	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Cl+HCOOH"	80.974872
"1326099"	300.784729	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Cl+NaCOOH"	102.956829
"921534"	310.813486	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M-H+CF3COOH"	112.985586
"1298240"	346.790164	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Cl+CF3COOH"	148.962264
"1374214"	162.815224	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H-2H2O"	-35.012676
"1390619"	180.8252	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H-H2O"	-17.0027
"283743"	396.663076	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+H"	1.007276
"676891"	594.490976	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+H"	1.007276
"1352756"	198.835176	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H"	1.007276
"128682"	198.835176	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+2H"	2.014552
"568244"	297.749126	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+2H"	2.014552
"1038377"	99.921226	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2H"	2.014552
"209319"	132.892542666667	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+3H"	3.021828
"656172"	198.835176	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+3H"	3.021828
"1177951"	66.9499093333333	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+3H"	3.021828
"435752"	413.689623	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+NH4"	18.033823
"798569"	611.517523	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+NH4"	18.033823
"1691982"	215.861723	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+NH4"	18.033823
"340261"	207.3484495	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+H+NH4"	19.041099
"730494"	306.2623995	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+H+NH4"	19.041099
"1484315"	108.4344995	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H+NH4"	19.041099
"402995"	418.645018	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+Na"	22.989218
"760708"	616.472918	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+Na"	22.989218
"1608808"	220.817118	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Na"	22.989218
"322124"	209.826147	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+H+Na"	23.996494
"717833"	308.740097	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+H+Na"	23.996494
"1470559"	110.912197	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H+Na"	23.996494
"1059430"	74.2772233333333	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2H+Na"	25.00377
"1263298"	230.861386	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+CH3OH+H"	33.033486
"384056"	434.618958	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+K"	38.963158
"740678"	632.446858	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+K"	38.963158
"1541638"	236.791058	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+K"	38.963158
"303193"	217.813117	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+H+K"	39.970434
"697801"	316.727067	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+H+K"	39.970434
"1451620"	118.899167	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H+K"	39.970434
"243501"	437.689626	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+ACN+H"	42.033826
"1217304"	239.861726	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+ACN+H"	42.033826
"1202284"	120.434501	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+ACN+2H"	43.041102
"192971"	440.62696	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+2Na-H"	44.97116
"633626"	638.45486	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+2Na-H"	44.97116
"1136037"	242.79906	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2Na-H"	44.97116
"178234"	220.817118	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+2Na"	45.978436
"616700"	319.731068	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+2Na"	45.978436
"1120207"	121.903168	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2Na"	45.978436
"1399720"	81.6045373333333	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H+2Na"	46.985712
"1432565"	244.840646	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H+HCOOH"	47.012746
"220800"	225.85014	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+3H2O+2H"	56.04448
"1508624"	258.89269	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+IsoProp+H"	61.06479
"411097"	228.804088	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+Na+K"	61.952376
"777570"	327.718038	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+Na+K"	61.952376
"1669527"	129.890138	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Na+K"	61.952376
"259330"	459.671568	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+ACN+Na"	64.015768
"1236048"	261.843668	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+ACN+Na"	64.015768
"1723114"	261.867193	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+NH4+HCOOH"	64.039293
"1180817"	88.9318513333333	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+3Na"	68.967654
"1651804"	266.822588	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Na+HCOOH"	68.994688
"158665"	472.57484	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+2K-H"	76.91904
"600413"	670.40274	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+2K-H"	76.91904
"1090394"	274.74694	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2K-H"	76.91904
"146117"	236.791058	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"2M+2K"	77.926316
"588959"	335.705008	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"3M+2K"	77.926316
"1081860"	137.877108	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2K"	77.926316
"1111056"	276.761492	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2K+H"	78.933592
"1343066"	276.849107	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+DMSO+H"	79.021207
"1011596"	280.888276	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2ACN+H"	83.060376
"1533003"	281.881908	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+IsoProp+Na+H"	84.054008
"996170"	140.947776	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+2ACN+2H"	84.067652
"1597236"	282.796528	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+K+HCOOH"	84.968628
"1427269"	312.828038	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+H+CF3COOH"	115.000138
"1157558"	161.461051	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+3ACN+2H"	125.094202
"1708206"	329.854585	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+NH4+CF3COOH"	132.026685
"1647138"	334.80998	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+Na+CF3COOH"	136.98208
"1574042"	350.78392	"C13619"	"Arsenous oxide;Arsenic trioxide"	"As2O3"	"197.8279"	"M+K+CF3COOH"	152.95602
"804407"	539.7571	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M"	0
"982314"	520.73871	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-H2O-H"	-19.01839
"70557"	358.830790666667	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M-3H"	-3.021828
"517733"	538.749824	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M-3H"	-3.021828
"885733"	178.911757333333	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-3H"	-3.021828
"1510"	538.749824	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M-2H"	-2.014552
"444957"	808.628374	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M-2H"	-2.014552
"821664"	268.871274	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-2H"	-2.014552
"79958"	1078.506924	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M-H"	-1.007276
"522310"	1618.264024	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M-H"	-1.007276
"900112"	538.749824	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-H"	-1.007276
"51208"	1095.533471	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M-2H+NH4"	16.019271
"492955"	1635.290571	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M-2H+NH4"	16.019271
"867476"	555.776371	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-2H+NH4"	16.019271
"34648"	1100.488866	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M-2H+Na"	20.974666
"472749"	1640.245966	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M-2H+Na"	20.974666
"849342"	560.731766	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-2H+Na"	20.974666
"1619484"	560.731766	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Na-2H"	20.974666
"103185"	556.738163	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M-H+Cl"	33.962126
"537277"	826.616713	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M-H+Cl"	33.962126
"934073"	286.859613	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-H+Cl"	33.962126
"267892"	1114.483602	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+Cl"	34.969402
"660471"	1654.240702	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+Cl"	34.969402
"1273599"	574.726502	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Cl"	34.969402
"16854"	1116.462806	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M-2H+K"	36.948606
"456042"	1656.219906	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M-2H+K"	36.948606
"833849"	576.705706	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-2H+K"	36.948606
"1556728"	576.705706	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+K-2H"	36.948606
"944733"	584.755294	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-H+HCOOH"	44.998194
"363313"	1124.512401	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+HCOOH-H"	44.998201
"349386"	1138.528051	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+Hac-H"	59.013851
"1495666"	598.770951	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Hac-H"	59.013851
"962114"	606.737251	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-H+NaCOOH"	66.980151
"111747"	574.726502	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+2Cl"	69.938804
"551309"	844.605052	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+2Cl"	69.938804
"1022172"	304.847952	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2Cl"	69.938804
"1241832"	618.675985	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Br"	78.918885
"1310170"	620.731972	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Cl+HCOOH"	80.974872
"1326209"	642.713929	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Cl+NaCOOH"	102.956829
"912161"	652.742686	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M-H+CF3COOH"	112.985586
"1295070"	688.719364	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Cl+CF3COOH"	148.962264
"1372137"	504.744424	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H-2H2O"	-35.012676
"1390729"	522.7544	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H-H2O"	-17.0027
"287497"	1080.521476	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+H"	1.007276
"678093"	1620.278576	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+H"	1.007276
"1359184"	540.764376	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H"	1.007276
"132073"	540.764376	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+2H"	2.014552
"570540"	810.642926	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+2H"	2.014552
"1039338"	270.885826	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2H"	2.014552
"208336"	360.845342666667	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+3H"	3.021828
"655189"	540.764376	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+3H"	3.021828
"1177818"	180.926309333333	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+3H"	3.021828
"435862"	1097.548023	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+NH4"	18.033823
"799045"	1637.305123	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+NH4"	18.033823
"1692092"	557.790923	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+NH4"	18.033823
"339276"	549.2776495	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+H+NH4"	19.041099
"733888"	819.1561995	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+H+NH4"	19.041099
"1486611"	279.3990995	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H+NH4"	19.041099
"405293"	1102.503418	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+Na"	22.989218
"765193"	1642.260518	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+Na"	22.989218
"1611103"	562.746318	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Na"	22.989218
"324421"	551.755347	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+H+Na"	23.996494
"713569"	821.633897	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+H+Na"	23.996494
"1473951"	281.876797	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H+Na"	23.996494
"1059540"	188.253623333333	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2H+Na"	25.00377
"1266689"	572.790586	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+CH3OH+H"	33.033486
"386353"	1118.477358	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+K"	38.963158
"741882"	1658.234458	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+K"	38.963158
"1541750"	578.720258	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+K"	38.963158
"308770"	559.742317	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+H+K"	39.970434
"701192"	829.620867	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+H+K"	39.970434
"1455010"	289.863767	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H+K"	39.970434
"243611"	1121.548026	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+ACN+H"	42.033826
"1218507"	581.790926	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+ACN+H"	42.033826
"1201302"	291.399101	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+ACN+2H"	43.041102
"188740"	1124.48536	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+2Na-H"	44.97116
"630455"	1664.24246	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+2Na-H"	44.97116
"1133108"	584.72826	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2Na-H"	44.97116
"180531"	562.746318	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+2Na"	45.978436
"622276"	832.624868	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+2Na"	45.978436
"1117274"	292.867768	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2Na"	45.978436
"1400558"	195.580937333333	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H+2Na"	46.985712
"1431580"	586.769846	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H+HCOOH"	47.012746
"228928"	567.77934	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+3H2O+2H"	56.04448
"1511885"	600.82189	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+IsoProp+H"	61.06479
"411209"	570.733288	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+Na+K"	61.952376
"776587"	840.611838	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+Na+K"	61.952376
"1672918"	300.854738	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Na+K"	61.952376
"257254"	1143.529968	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+ACN+Na"	64.015768
"1228869"	603.772868	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+ACN+Na"	64.015768
"1721037"	603.796393	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+NH4+HCOOH"	64.039293
"1182020"	202.908251333333	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+3Na"	68.967654
"1650820"	608.751788	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Na+HCOOH"	68.994688
"158775"	1156.43324	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+2K-H"	76.91904
"598337"	1696.19034	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+2K-H"	76.91904
"1090504"	616.67614	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2K-H"	76.91904
"146227"	578.720258	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"2M+2K"	77.926316
"587976"	848.598808	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"3M+2K"	77.926316
"1079050"	308.841708	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2K"	77.926316
"1107885"	618.690692	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2K+H"	78.933592
"1337829"	618.778307	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+DMSO+H"	79.021207
"1008425"	622.817476	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2ACN+H"	83.060376
"1529832"	623.811108	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+IsoProp+Na+H"	84.054008
"993000"	311.912376	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+2ACN+2H"	84.067652
"1596253"	624.725728	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+K+HCOOH"	84.968628
"1425192"	654.757238	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+H+CF3COOH"	115.000138
"1157668"	332.425651	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+3ACN+2H"	125.094202
"1708316"	671.783785	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+NH4+CF3COOH"	132.026685
"1642873"	676.73918	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+Na+CF3COOH"	136.98208
"1575245"	692.71312	"C13620"	"Tetrabromobisphenol A;3355-Tetrabromobisphenol A"	"C15H12Br4O2"	"539.7571"	"M+K+CF3COOH"	152.95602
"804517"	461.8466	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M"	0
"981331"	442.82821	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-H2O-H"	-19.01839
"70667"	306.890457333333	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M-3H"	-3.021828
"516790"	460.839324	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M-3H"	-3.021828
"885843"	152.941590666667	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-3H"	-3.021828
"5508"	460.839324	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M-2H"	-2.014552
"447252"	691.762624	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M-2H"	-2.014552
"821774"	229.916024	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-2H"	-2.014552
"82132"	922.685924	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M-H"	-1.007276
"521694"	1384.532524	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M-H"	-1.007276
"899130"	460.839324	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-H"	-1.007276
"54596"	939.712471	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M-2H+NH4"	16.019271
"494157"	1401.559071	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M-2H+NH4"	16.019271
"869773"	477.865871	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-2H+NH4"	16.019271
"37673"	944.667866	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M-2H+Na"	20.974666
"472498"	1406.514466	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M-2H+Na"	20.974666
"849211"	482.821266	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-2H+Na"	20.974666
"1621295"	482.821266	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Na-2H"	20.974666
"98915"	478.827663	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M-H+Cl"	33.962126
"539571"	709.750963	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M-H+Cl"	33.962126
"930899"	247.904363	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-H+Cl"	33.962126
"268488"	958.662602	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+Cl"	34.969402
"661760"	1420.509202	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+Cl"	34.969402
"1274403"	496.816002	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Cl"	34.969402
"16962"	960.641806	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M-2H+K"	36.948606
"456273"	1422.488406	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M-2H+K"	36.948606
"834935"	498.795206	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-2H+K"	36.948606
"1558052"	498.795206	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+K-2H"	36.948606
"944483"	506.844794	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-H+HCOOH"	44.998194
"363424"	968.691401	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+HCOOH-H"	44.998201
"348038"	982.707051	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+Hac-H"	59.013851
"1495775"	520.860451	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Hac-H"	59.013851
"961863"	528.826751	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-H+NaCOOH"	66.980151
"111979"	496.816002	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+2Cl"	69.938804
"551905"	727.739302	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+2Cl"	69.938804
"1021680"	265.892702	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2Cl"	69.938804
"1241365"	540.765485	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Br"	78.918885
"1305660"	542.821472	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Cl+HCOOH"	80.974872
"1322306"	564.803429	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Cl+NaCOOH"	102.956829
"913364"	574.832186	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M-H+CF3COOH"	112.985586
"1295180"	610.808864	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Cl+CF3COOH"	148.962264
"1372247"	426.833924	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H-2H2O"	-35.012676
"1390839"	444.8439	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H-H2O"	-17.0027
"286514"	924.700476	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+H"	1.007276
"677475"	1386.547076	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+H"	1.007276
"1356014"	462.853876	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H"	1.007276
"132183"	462.853876	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+2H"	2.014552
"567734"	693.777176	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+2H"	2.014552
"1041635"	231.930576	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2H"	2.014552
"205166"	308.905009333333	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+3H"	3.021828
"655299"	462.853876	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+3H"	3.021828
"1177318"	154.956142666667	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+3H"	3.021828
"435975"	941.727023	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+NH4"	18.033823
"796969"	1403.573623	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+NH4"	18.033823
"1692203"	479.880423	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+NH4"	18.033823
"341574"	471.3671495	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+H+NH4"	19.041099
"733998"	702.2904495	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+H+NH4"	19.041099
"1487816"	240.4438495	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H+NH4"	19.041099
"405403"	946.682418	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+Na"	22.989218
"765304"	1408.529018	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+Na"	22.989218
"1612307"	484.835818	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Na"	22.989218
"327812"	473.844847	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+H+Na"	23.996494
"714770"	704.768147	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+H+Na"	23.996494
"1469687"	242.921547	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H+Na"	23.996494
"1059650"	162.283456666667	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2H+Na"	25.00377
"1264611"	494.880086	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+CH3OH+H"	33.033486
"383183"	962.656358	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+K"	38.963158
"740532"	1424.502958	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+K"	38.963158
"1541373"	500.809758	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+K"	38.963158
"308880"	481.831817	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+H+K"	39.970434
"702396"	712.755117	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+H+K"	39.970434
"1456215"	250.908517	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H+K"	39.970434
"245908"	965.727026	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+ACN+H"	42.033826
"1220804"	503.880426	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+ACN+H"	42.033826
"1200318"	252.443851	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+ACN+2H"	43.041102
"189662"	968.66436	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+2Na-H"	44.97116
"633846"	1430.51096	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+2Na-H"	44.97116
"1135164"	506.81776	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2Na-H"	44.97116
"179547"	484.835818	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+2Na"	45.978436
"626031"	715.759118	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+2Na"	45.978436
"1121516"	253.912518	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2Na"	45.978436
"1403947"	169.610770666667	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H+2Na"	46.985712
"1437156"	508.859346	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H+HCOOH"	47.012746
"231224"	489.86884	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+3H2O+2H"	56.04448
"1512726"	522.91139	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+IsoProp+H"	61.06479
"412412"	492.822788	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+Na+K"	61.952376
"776697"	723.746088	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+Na+K"	61.952376
"1670841"	261.899488	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Na+K"	61.952376
"254084"	987.708968	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+ACN+Na"	64.015768
"1228979"	525.862368	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+ACN+Na"	64.015768
"1717865"	525.885893	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+NH4+HCOOH"	64.039293
"1178969"	176.938084666667	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+3Na"	68.967654
"1651051"	530.841288	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Na+HCOOH"	68.994688
"158276"	1000.61224	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+2K-H"	76.91904
"605008"	1462.45884	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+2K-H"	76.91904
"1084900"	538.76564	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2K-H"	76.91904
"144150"	500.809758	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"2M+2K"	77.926316
"586992"	731.733058	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"3M+2K"	77.926316
"1079159"	269.886458	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2K"	77.926316
"1105808"	540.780192	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2K+H"	78.933592
"1337818"	540.867807	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+DMSO+H"	79.021207
"1008535"	544.906976	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2ACN+H"	83.060376
"1529939"	545.900608	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+IsoProp+Na+H"	84.054008
"990312"	272.957126	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+2ACN+2H"	84.067652
"1594176"	546.815228	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+K+HCOOH"	84.968628
"1418741"	576.846738	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+H+CF3COOH"	115.000138
"1154497"	293.470401	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+3ACN+2H"	125.094202
"1708426"	593.873285	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+NH4+CF3COOH"	132.026685
"1642983"	598.82868	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+Na+CF3COOH"	136.98208
"1575355"	614.80262	"C13621"	"Tribromobisphenol A;335-Tribromobisphenol A"	"C15H13Br3O2"	"461.8466"	"M+K+CF3COOH"	152.95602
"804627"	383.9361	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M"	0
"976334"	364.91771	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-H2O-H"	-19.01839
"69684"	254.950124	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M-3H"	-3.021828
"516900"	382.928824	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M-3H"	-3.021828
"885954"	126.971424	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-3H"	-3.021828
"4526"	382.928824	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M-2H"	-2.014552
"449551"	574.896874	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M-2H"	-2.014552
"829539"	190.960774	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-2H"	-2.014552
"81882"	766.864924	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M-H"	-1.007276
"523990"	1150.801024	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M-H"	-1.007276
"901428"	382.928824	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-H"	-1.007276
"53614"	783.891471	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M-2H+NH4"	16.019271
"493179"	1167.827571	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M-2H+NH4"	16.019271
"869883"	399.955371	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-2H+NH4"	16.019271
"38878"	788.846866	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M-2H+Na"	20.974666
"475163"	1172.782966	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M-2H+Na"	20.974666
"854061"	404.910766	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-2H+Na"	20.974666
"1620314"	404.910766	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Na-2H"	20.974666
"99028"	400.917163	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M-H+Cl"	33.962126
"540776"	592.885213	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M-H+Cl"	33.962126
"936479"	208.949113	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-H+Cl"	33.962126
"277955"	802.841602	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+Cl"	34.969402
"661385"	1186.777702	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+Cl"	34.969402
"1279864"	418.905502	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Cl"	34.969402
"22422"	804.820806	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M-2H+K"	36.948606
"458702"	1188.756906	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M-2H+K"	36.948606
"840877"	420.884706	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-2H+K"	36.948606
"1556103"	420.884706	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+K-2H"	36.948606
"945686"	428.934294	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-H+HCOOH"	44.998194
"363176"	812.870401	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+HCOOH-H"	44.998201
"347420"	826.886051	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+Hac-H"	59.013851
"1496254"	442.949951	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Hac-H"	59.013851
"964525"	450.916251	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-H+NaCOOH"	66.980151
"111002"	418.905502	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+2Cl"	69.938804
"551535"	610.873552	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+2Cl"	69.938804
"1022156"	226.937452	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2Cl"	69.938804
"1241385"	462.854985	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Br"	78.918885
"1306741"	464.910972	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Cl+HCOOH"	80.974872
"1320952"	486.892929	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Cl+NaCOOH"	102.956829
"913467"	496.921686	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M-H+CF3COOH"	112.985586
"1291642"	532.898364	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Cl+CF3COOH"	148.962264
"1368708"	348.923424	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H-2H2O"	-35.012676
"1392041"	366.9334	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H-H2O"	-17.0027
"289540"	768.879476	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+H"	1.007276
"677585"	1152.815576	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+H"	1.007276
"1359406"	384.943376	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H"	1.007276
"137761"	384.943376	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+2H"	2.014552
"574041"	576.911426	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+2H"	2.014552
"1041746"	192.975326	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2H"	2.014552
"209649"	256.964676	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+3H"	3.021828
"654680"	384.943376	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+3H"	3.021828
"1177184"	128.985976	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+3H"	3.021828
"436815"	785.906023	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+NH4"	18.033823
"797078"	1169.842123	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+NH4"	18.033823
"1692313"	401.969923	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+NH4"	18.033823
"342778"	393.4566495	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+H+NH4"	19.041099
"735202"	585.4246995	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+H+NH4"	19.041099
"1487928"	201.4885995	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H+NH4"	19.041099
"405514"	790.861418	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+Na"	22.989218
"768695"	1174.797518	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+Na"	22.989218
"1617644"	406.925318	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Na"	22.989218
"329262"	395.934347	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+H+Na"	23.996494
"717069"	587.902397	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+H+Na"	23.996494
"1468704"	203.966297	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H+Na"	23.996494
"1056480"	136.31329	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2H+Na"	25.00377
"1263628"	416.969586	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+CH3OH+H"	33.033486
"380014"	806.835358	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+K"	38.963158
"740039"	1190.771458	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+K"	38.963158
"1541972"	422.899258	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+K"	38.963158
"305710"	403.921317	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+H+K"	39.970434
"699225"	595.889367	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+H+K"	39.970434
"1455233"	211.953267	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H+K"	39.970434
"248207"	809.906026	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+ACN+H"	42.033826
"1222375"	425.969926	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+ACN+H"	42.033826
"1206626"	213.488601	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+ACN+2H"	43.041102
"191478"	812.84336	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+2Na-H"	44.97116
"635050"	1196.77946	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+2Na-H"	44.97116
"1141472"	428.90726	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2Na-H"	44.97116
"185489"	406.925318	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+2Na"	45.978436
"627599"	598.893368	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+2Na"	45.978436
"1123813"	214.957268	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2Na"	45.978436
"1409523"	143.640604	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H+2Na"	46.985712
"1435082"	430.948846	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H+HCOOH"	47.012746
"231336"	411.95834	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+3H2O+2H"	56.04448
"1518305"	445.00089	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+IsoProp+H"	61.06479
"414712"	414.912288	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+Na+K"	61.952376
"776807"	606.880338	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+Na+K"	61.952376
"1675325"	222.944238	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Na+K"	61.952376
"264399"	831.887968	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+ACN+Na"	64.015768
"1237473"	447.951868	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+ACN+Na"	64.015768
"1722349"	447.975393	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+NH4+HCOOH"	64.039293
"1179322"	150.967918	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+3Na"	68.967654
"1653226"	452.930788	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Na+HCOOH"	68.994688
"163368"	844.79124	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+2K-H"	76.91904
"599650"	1228.72734	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+2K-H"	76.91904
"1086347"	460.85514	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2K-H"	76.91904
"144254"	422.899258	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"2M+2K"	77.926316
"587102"	614.867308	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"3M+2K"	77.926316
"1069791"	230.931208	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2K"	77.926316
"1101786"	462.869692	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2K+H"	78.933592
"1336467"	462.957307	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+DMSO+H"	79.021207
"1006452"	466.996476	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2ACN+H"	83.060376
"1528956"	467.990108	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+IsoProp+Na+H"	84.054008
"990785"	234.001876	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+2ACN+2H"	84.067652
"1591006"	468.904728	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+K+HCOOH"	84.968628
"1414719"	498.936238	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+H+CF3COOH"	115.000138
"1147801"	254.515151	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+3ACN+2H"	125.094202
"1705254"	515.962785	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+NH4+CF3COOH"	132.026685
"1643093"	520.91818	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+Na+CF3COOH"	136.98208
"1575465"	536.89212	"C13622"	"Dibromobisphenol A;33-Dibromobisphenol A"	"C15H14Br2O2"	"383.9361"	"M+K+CF3COOH"	152.95602
"806925"	306.0255	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M"	0
"978269"	287.00711	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-H2O-H"	-19.01839
"68701"	203.009724	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M-3H"	-3.021828
"517255"	305.018224	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M-3H"	-3.021828
"890438"	101.001224	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-3H"	-3.021828
"4638"	305.018224	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M-2H"	-2.014552
"447475"	458.030974	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M-2H"	-2.014552
"827463"	152.005474	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-2H"	-2.014552
"81627"	611.043724	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M-H"	-1.007276
"527023"	917.069224	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M-H"	-1.007276
"897170"	305.018224	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-H"	-1.007276
"49720"	628.070271	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M-2H+NH4"	16.019271
"494383"	934.095771	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M-2H+NH4"	16.019271
"873278"	322.044771	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-2H+NH4"	16.019271
"35709"	633.025666	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M-2H+Na"	20.974666
"475273"	939.051166	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M-2H+Na"	20.974666
"851984"	327.000166	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-2H+Na"	20.974666
"1620424"	327.000166	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Na-2H"	20.974666
"98045"	323.006563	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M-H+Cl"	33.962126
"538698"	476.019313	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M-H+Cl"	33.962126
"934402"	169.993813	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-H+Cl"	33.962126
"278064"	647.020402	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+Cl"	34.969402
"670487"	953.045902	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+Cl"	34.969402
"1277422"	340.994902	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Cl"	34.969402
"22532"	648.999606	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M-2H+K"	36.948606
"459176"	955.025106	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M-2H+K"	36.948606
"838799"	342.974106	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-2H+K"	36.948606
"1562293"	342.974106	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+K-2H"	36.948606
"952364"	351.023694	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-H+HCOOH"	44.998194
"365108"	657.049201	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+HCOOH-H"	44.998201
"354462"	671.064851	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+Hac-H"	59.013851
"1495270"	365.039351	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Hac-H"	59.013851
"963178"	373.005651	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-H+NaCOOH"	66.980151
"115002"	340.994902	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+2Cl"	69.938804
"550187"	494.007652	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+2Cl"	69.938804
"1022268"	187.982152	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2Cl"	69.938804
"1241478"	384.944385	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Br"	78.918885
"1305758"	387.000372	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Cl+HCOOH"	80.974872
"1321062"	408.982329	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Cl+NaCOOH"	102.956829
"912848"	419.011086	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M-H+CF3COOH"	112.985586
"1291024"	454.987764	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Cl+CF3COOH"	148.962264
"1368090"	271.012824	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H-2H2O"	-35.012676
"1392151"	289.0228	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H-H2O"	-17.0027
"286370"	613.058276	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+H"	1.007276
"686444"	919.083776	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+H"	1.007276
"1362796"	307.032776	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H"	1.007276
"137872"	307.032776	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+2H"	2.014552
"576339"	460.045526	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+2H"	2.014552
"1049511"	154.020026	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2H"	2.014552
"213039"	205.024276	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+3H"	3.021828
"657344"	307.032776	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+3H"	3.021828
"1178275"	103.015776	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+3H"	3.021828
"439111"	630.084823	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+NH4"	18.033823
"798283"	936.110323	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+NH4"	18.033823
"1695585"	324.059323	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+NH4"	18.033823
"344593"	315.5460495	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+H+NH4"	19.041099
"737988"	468.5587995	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+H+NH4"	19.041099
"1491686"	162.5332995	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H+NH4"	19.041099
"408488"	635.040218	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+Na"	22.989218
"769855"	941.065718	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+Na"	22.989218
"1617271"	329.014718	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Na"	22.989218
"329700"	318.023747	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+H+Na"	23.996494
"721920"	471.036497	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+H+Na"	23.996494
"1472095"	165.010997	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H+Na"	23.996494
"1062062"	110.34309	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2H+Na"	25.00377
"1262647"	339.058986	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+CH3OH+H"	33.033486
"389969"	651.014158	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+K"	38.963158
"750966"	957.039658	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+K"	38.963158
"1547551"	344.988658	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+K"	38.963158
"308009"	326.010717	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+H+K"	39.970434
"699336"	479.023467	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+H+K"	39.970434
"1457530"	172.997967	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H+K"	39.970434
"250142"	654.084826	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+ACN+H"	42.033826
"1225474"	348.059326	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+ACN+H"	42.033826
"1209289"	174.533301	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+ACN+2H"	43.041102
"197422"	657.02216	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+2Na-H"	44.97116
"642086"	963.04766	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+2Na-H"	44.97116
"1145715"	350.99666	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2Na-H"	44.97116
"187912"	329.014718	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+2Na"	45.978436
"628448"	482.027468	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+2Na"	45.978436
"1124291"	176.001968	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2Na"	45.978436
"1405629"	117.670404	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H+2Na"	46.985712
"1439568"	353.038246	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H+HCOOH"	47.012746
"225983"	334.04774	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+3H2O+2H"	56.04448
"1517321"	367.09029	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+IsoProp+H"	61.06479
"417007"	337.001688	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+Na+K"	61.952376
"779104"	490.014438	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+Na+K"	61.952376
"1679446"	183.988938	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Na+K"	61.952376
"261959"	676.066768	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+ACN+Na"	64.015768
"1233574"	370.041268	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+ACN+Na"	64.015768
"1721368"	370.064793	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+NH4+HCOOH"	64.039293
"1184537"	124.997718	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+3Na"	68.967654
"1652608"	375.020188	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Na+HCOOH"	68.994688
"161292"	688.97004	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+2K-H"	76.91904
"603041"	994.99554	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+2K-H"	76.91904
"1090834"	382.94454	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2K-H"	76.91904
"146555"	344.988658	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"2M+2K"	77.926316
"586119"	498.001408	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"3M+2K"	77.926316
"1070144"	191.975908	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2K"	77.926316
"1106028"	384.959092	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2K+H"	78.933592
"1340225"	385.046707	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+DMSO+H"	79.021207
"1007660"	389.085876	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2ACN+H"	83.060376
"1532347"	390.079508	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+IsoProp+Na+H"	84.054008
"995516"	195.046576	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+2ACN+2H"	84.067652
"1588197"	390.994128	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+K+HCOOH"	84.968628
"1420055"	421.025638	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+H+CF3COOH"	115.000138
"1150343"	215.559851	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+3ACN+2H"	125.094202
"1705366"	438.052185	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+NH4+CF3COOH"	132.026685
"1645391"	443.00758	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+Na+CF3COOH"	136.98208
"1575575"	458.98152	"C13623"	"Monobromobisphenol A;3-Monobromobisphenol A"	"C15H15BrO2"	"306.0255"	"M+K+CF3COOH"	152.95602
"811407"	228.115	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M"	0
"975463"	209.09661	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H2O-H"	-19.01839
"70998"	151.069390666667	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-3H"	-3.021828
"514934"	227.107724	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-3H"	-3.021828
"885081"	75.0310573333333	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-3H"	-3.021828
"4017"	227.107724	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H"	-2.014552
"447586"	341.165224	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H"	-2.014552
"828668"	113.050224	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H"	-2.014552
"80037"	455.222724	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-H"	-1.007276
"519959"	683.337724	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-H"	-1.007276
"898370"	227.107724	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H"	-1.007276
"48490"	472.249271	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H+NH4"	16.019271
"488415"	700.364271	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H+NH4"	16.019271
"864635"	244.134271	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H+NH4"	16.019271
"35819"	477.204666	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H+Na"	20.974666
"474290"	705.319666	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H+Na"	20.974666
"852094"	249.089666	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H+Na"	20.974666
"1621627"	249.089666	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na-2H"	20.974666
"97062"	245.096063	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-H+Cl"	33.962126
"538808"	359.153563	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-H+Cl"	33.962126
"935606"	131.038563	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+Cl"	33.962126
"271975"	491.199402	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Cl"	34.969402
"665490"	719.314402	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+Cl"	34.969402
"1284091"	263.084402	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl"	34.969402
"22276"	493.178606	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H+K"	36.948606
"460015"	721.293606	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H+K"	36.948606
"841098"	265.063606	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H+K"	36.948606
"1562403"	265.063606	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K-2H"	36.948606
"952474"	273.113194	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+HCOOH"	44.998194
"364489"	501.228201	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+HCOOH-H"	44.998201
"349468"	515.243851	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Hac-H"	59.013851
"1495381"	287.128851	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Hac-H"	59.013851
"963652"	295.095151	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+NaCOOH"	66.980151
"115478"	263.084402	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2Cl"	69.938804
"550416"	377.141902	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2Cl"	69.938804
"1023473"	149.026902	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2Cl"	69.938804
"1242320"	307.033885	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Br"	78.918885
"1305868"	309.089872	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl+HCOOH"	80.974872
"1320442"	331.071829	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl+NaCOOH"	102.956829
"912471"	341.100586	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+CF3COOH"	112.985586
"1292219"	377.077264	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl+CF3COOH"	148.962264
"1370388"	193.102324	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H-2H2O"	-35.012676
"1390075"	211.1123	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H-H2O"	-17.0027
"288667"	457.237276	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H"	1.007276
"679993"	685.352276	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H"	1.007276
"1364000"	229.122276	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H"	1.007276
"136889"	229.122276	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2H"	2.014552
"577542"	343.179776	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2H"	2.014552
"1048528"	115.064776	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2H"	2.014552
"212056"	153.083942666667	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+3H"	3.021828
"657090"	229.122276	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+3H"	3.021828
"1177404"	77.0456093333333	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+3H"	3.021828
"437761"	474.263823	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+NH4"	18.033823
"798028"	702.378823	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+NH4"	18.033823
"1691440"	246.148823	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+NH4"	18.033823
"341907"	237.6355495	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H+NH4"	19.041099
"736881"	351.6930495	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H+NH4"	19.041099
"1491063"	123.5780495	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+NH4"	19.041099
"406825"	479.219218	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Na"	22.989218
"763446"	707.334218	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+Na"	22.989218
"1617868"	251.104218	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na"	22.989218
"325956"	240.113247	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H+Na"	23.996494
"719474"	354.170747	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H+Na"	23.996494
"1471110"	126.055747	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+Na"	23.996494
"1063265"	84.3729233333333	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2H+Na"	25.00377
"1264944"	261.148486	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+CH3OH+H"	33.033486
"388621"	495.193158	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+K"	38.963158
"752050"	723.308158	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+K"	38.963158
"1550941"	267.078158	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K"	38.963158
"307025"	248.100217	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H+K"	39.970434
"700540"	362.157717	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H+K"	39.970434
"1458735"	134.042717	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+K"	39.970434
"247334"	498.263826	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+ACN+H"	42.033826
"1221866"	270.148826	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+ACN+H"	42.033826
"1208671"	135.578051	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+ACN+2H"	43.041102
"200085"	501.20116	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2Na-H"	44.97116
"642198"	729.31616	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2Na-H"	44.97116
"1144974"	273.08616	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2Na-H"	44.97116
"186805"	251.104218	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2Na"	45.978436
"627826"	365.161718	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2Na"	45.978436
"1121852"	137.046718	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2Na"	45.978436
"1402097"	91.7002373333333	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+2Na"	46.985712
"1439314"	275.127746	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+HCOOH"	47.012746
"226094"	256.13724	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+3H2O+2H"	56.04448
"1517433"	289.17979	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+IsoProp+H"	61.06479
"414932"	259.091188	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Na+K"	61.952376
"780308"	373.148688	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+Na+K"	61.952376
"1679556"	145.033688	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na+K"	61.952376
"262070"	520.245768	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+ACN+Na"	64.015768
"1235871"	292.130768	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+ACN+Na"	64.015768
"1721477"	292.154293	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+NH4+HCOOH"	64.039293
"1186833"	99.0275513333333	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+3Na"	68.967654
"1653447"	297.109688	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na+HCOOH"	68.994688
"162496"	533.14904	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2K-H"	76.91904
"602058"	761.26404	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2K-H"	76.91904
"1088029"	305.03404	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2K-H"	76.91904
"144480"	267.078158	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2K"	77.926316
"586229"	381.135658	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2K"	77.926316
"1069648"	153.020658	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2K"	77.926316
"1105045"	307.048592	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2K+H"	78.933592
"1343615"	307.136207	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+DMSO+H"	79.021207
"1009958"	311.175376	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2ACN+H"	83.060376
"1529177"	312.169008	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+IsoProp+Na+H"	84.054008
"996720"	156.091326	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2ACN+2H"	84.067652
"1587166"	313.083628	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K+HCOOH"	84.968628
"1414818"	343.115138	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+CF3COOH"	115.000138
"1151547"	176.604601	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+3ACN+2H"	125.094202
"1706569"	360.141685	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+NH4+CF3COOH"	132.026685
"1646594"	365.09708	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na+CF3COOH"	136.98208
"1575685"	381.07102	"C13624"	"Bisphenol A;22-Bis(4-Hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K+CF3COOH"	152.95602
"805321"	268.1463	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M"	0
"981769"	249.12791	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-H2O-H"	-19.01839
"67826"	177.756924	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M-3H"	-3.021828
"507389"	267.139024	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M-3H"	-3.021828
"887378"	88.374824	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-3H"	-3.021828
"4858"	267.139024	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M-2H"	-2.014552
"449883"	401.212174	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M-2H"	-2.014552
"828778"	133.065874	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-2H"	-2.014552
"83305"	535.285324	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M-H"	-1.007276
"523957"	803.431624	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M-H"	-1.007276
"903946"	267.139024	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-H"	-1.007276
"55041"	552.311871	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M-2H+NH4"	16.019271
"491320"	820.458171	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M-2H+NH4"	16.019271
"870217"	284.165571	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-2H+NH4"	16.019271
"35932"	557.267266	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M-2H+Na"	20.974666
"475494"	825.413566	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M-2H+Na"	20.974666
"856578"	289.120966	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-2H+Na"	20.974666
"1621737"	289.120966	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Na-2H"	20.974666
"102639"	285.127363	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M-H+Cl"	33.962126
"541105"	419.200513	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M-H+Cl"	33.962126
"936809"	151.054213	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-H+Cl"	33.962126
"275366"	571.262002	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+Cl"	34.969402
"670706"	839.408302	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+Cl"	34.969402
"1284202"	303.115702	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Cl"	34.969402
"26032"	573.241206	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M-2H+K"	36.948606
"466688"	841.387506	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M-2H+K"	36.948606
"843396"	305.094906	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-2H+K"	36.948606
"1562513"	305.094906	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+K-2H"	36.948606
"952584"	313.144494	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-H+HCOOH"	44.998194
"365332"	581.290801	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+HCOOH-H"	44.998201
"359423"	595.306451	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+Hac-H"	59.013851
"1500235"	327.160151	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Hac-H"	59.013851
"971058"	335.126451	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-H+NaCOOH"	66.980151
"116682"	303.115702	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+2Cl"	69.938804
"560616"	437.188852	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+2Cl"	69.938804
"1024677"	169.042552	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2Cl"	69.938804
"1243890"	347.065185	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Br"	78.918885
"1306707"	349.121172	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Cl+HCOOH"	80.974872
"1320919"	371.103129	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Cl+NaCOOH"	102.956829
"912462"	381.131886	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M-H+CF3COOH"	112.985586
"1292330"	417.108564	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Cl+CF3COOH"	148.962264
"1370498"	233.133624	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H-2H2O"	-35.012676
"1393465"	251.1436	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H-H2O"	-17.0027
"287684"	537.299876	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+H"	1.007276
"683384"	805.446176	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+H"	1.007276
"1363013"	269.153576	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H"	1.007276
"139188"	269.153576	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+2H"	2.014552
"578749"	403.226726	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+2H"	2.014552
"1049735"	135.080426	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2H"	2.014552
"215447"	179.771476	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+3H"	3.021828
"652823"	269.153576	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+3H"	3.021828
"1176419"	90.389376	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+3H"	3.021828
"439290"	554.326423	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+NH4"	18.033823
"798502"	822.472723	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+NH4"	18.033823
"1691550"	286.180123	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+NH4"	18.033823
"344204"	277.6668495	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+H+NH4"	19.041099
"737963"	411.7399995	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+H+NH4"	19.041099
"1492314"	143.5936995	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H+NH4"	19.041099
"408032"	559.281818	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+Na"	22.989218
"763557"	827.428118	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+Na"	22.989218
"1617004"	291.135518	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Na"	22.989218
"328502"	280.144547	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+H+Na"	23.996494
"721408"	414.217697	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+H+Na"	23.996494
"1473407"	146.071397	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H+Na"	23.996494
"1062280"	97.71669	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2H+Na"	25.00377
"1265054"	301.179786	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+CH3OH+H"	33.033486
"382536"	575.255758	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+K"	38.963158
"751915"	843.402058	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+K"	38.963158
"1551052"	307.109458	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+K"	38.963158
"311145"	288.131517	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+H+K"	39.970434
"700650"	422.204667	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+H+K"	39.970434
"1456657"	154.058367	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H+K"	39.970434
"249631"	578.326426	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+ACN+H"	42.033826
"1222344"	310.180126	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+ACN+H"	42.033826
"1206592"	155.593701	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+ACN+2H"	43.041102
"199100"	581.26376	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+2Na-H"	44.97116
"641943"	849.41006	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+2Na-H"	44.97116
"1145089"	313.11746	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2Na-H"	44.97116
"187159"	291.135518	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+2Na"	45.978436
"627568"	425.208668	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+2Na"	45.978436
"1120870"	157.062368	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2Na"	45.978436
"1404392"	105.044004	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H+2Na"	46.985712
"1440518"	315.159046	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H+HCOOH"	47.012746
"235690"	296.16854	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+3H2O+2H"	56.04448
"1515357"	329.21109	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+IsoProp+H"	61.06479
"417960"	299.122488	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+Na+K"	61.952376
"783336"	433.195638	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+Na+K"	61.952376
"1678945"	165.049338	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Na+K"	61.952376
"266194"	600.308368	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+ACN+Na"	64.015768
"1239996"	332.162068	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+ACN+Na"	64.015768
"1725968"	332.185593	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+NH4+HCOOH"	64.039293
"1188036"	112.371318	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+3Na"	68.967654
"1655742"	337.140988	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Na+HCOOH"	68.994688
"164790"	613.21164	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+2K-H"	76.91904
"604353"	881.35794	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+2K-H"	76.91904
"1088863"	345.06534	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2K-H"	76.91904
"146776"	307.109458	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"2M+2K"	77.926316
"584149"	441.182608	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"3M+2K"	77.926316
"1071941"	173.036308	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2K"	77.926316
"1104060"	347.079892	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2K+H"	78.933592
"1340442"	347.167507	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+DMSO+H"	79.021207
"1012255"	351.206676	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2ACN+H"	83.060376
"1530380"	352.200308	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+IsoProp+Na+H"	84.054008
"999012"	176.106976	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+2ACN+2H"	84.067652
"1588052"	353.114928	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+K+HCOOH"	84.968628
"1415046"	383.146438	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+H+CF3COOH"	115.000138
"1148374"	196.620251	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+3ACN+2H"	125.094202
"1698292"	400.172985	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+NH4+CF3COOH"	132.026685
"1640143"	405.12838	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+Na+CF3COOH"	136.98208
"1575795"	421.10232	"C13625"	"4-Methyl-24-bis-(p-hydroxyphenyl)pent-1-ene"	"C18H20O2"	"268.1463"	"M+K+CF3COOH"	152.95602
"811627"	244.1099	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M"	0
"988807"	225.09151	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-H2O-H"	-19.01839
"67936"	161.732657333333	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M-3H"	-3.021828
"512968"	243.102624	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M-3H"	-3.021828
"889674"	80.3626906666667	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-3H"	-3.021828
"7154"	243.102624	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M-2H"	-2.014552
"446714"	365.157574	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M-2H"	-2.014552
"824514"	121.047674	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-2H"	-2.014552
"83415"	487.212524	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M-H"	-1.007276
"524068"	731.322424	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M-H"	-1.007276
"902963"	243.102624	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-H"	-1.007276
"52965"	504.239071	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M-2H+NH4"	16.019271
"494713"	748.348971	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M-2H+NH4"	16.019271
"875431"	260.129171	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-2H+NH4"	16.019271
"38229"	509.194466	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M-2H+Na"	20.974666
"475604"	753.304366	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M-2H+Na"	20.974666
"856688"	265.084566	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-2H+Na"	20.974666
"1620145"	265.084566	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Na-2H"	20.974666
"102749"	261.090963	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M-H+Cl"	33.962126
"544497"	383.145913	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M-H+Cl"	33.962126
"935826"	139.036013	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-H+Cl"	33.962126
"275476"	523.189202	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+Cl"	34.969402
"670452"	767.299102	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+Cl"	34.969402
"1283584"	279.079302	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Cl"	34.969402
"26139"	525.168406	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M-2H+K"	36.948606
"465706"	769.278306	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M-2H+K"	36.948606
"842415"	281.058506	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-2H+K"	36.948606
"1561530"	281.058506	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+K-2H"	36.948606
"952694"	289.108094	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-H+HCOOH"	44.998194
"365442"	533.218001	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+HCOOH-H"	44.998201
"358440"	547.233651	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+Hac-H"	59.013851
"1498158"	303.123751	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Hac-H"	59.013851
"969345"	311.090051	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-H+NaCOOH"	66.980151
"120438"	279.079302	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+2Cl"	69.938804
"561819"	401.134252	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+2Cl"	69.938804
"1024422"	157.024352	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2Cl"	69.938804
"1243271"	323.028785	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Br"	78.918885
"1304992"	325.084772	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Cl+HCOOH"	80.974872
"1320666"	347.066729	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Cl+NaCOOH"	102.956829
"913181"	357.095486	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M-H+CF3COOH"	112.985586
"1290982"	393.072164	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Cl+CF3COOH"	148.962264
"1370609"	209.097224	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H-2H2O"	-35.012676
"1393575"	227.1072	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H-H2O"	-17.0027
"289980"	489.227076	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+H"	1.007276
"685681"	733.336976	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+H"	1.007276
"1362030"	245.117176	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H"	1.007276
"137112"	245.117176	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+2H"	2.014552
"579953"	367.172126	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+2H"	2.014552
"1050938"	123.062226	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2H"	2.014552
"217743"	163.747209333333	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+3H"	3.021828
"655119"	245.117176	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+3H"	3.021828
"1173247"	82.3772426666667	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+3H"	3.021828
"436891"	506.253623	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+NH4"	18.033823
"798249"	750.363523	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+NH4"	18.033823
"1692754"	262.143723	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+NH4"	18.033823
"341765"	253.6304495	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+H+NH4"	19.041099
"737467"	375.6853995	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+H+NH4"	19.041099
"1492488"	131.5754995	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H+NH4"	19.041099
"408024"	511.209018	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+Na"	22.989218
"769623"	755.318918	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+Na"	22.989218
"1616142"	267.099118	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Na"	22.989218
"327639"	256.108147	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+H+Na"	23.996494
"722005"	378.163097	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+H+Na"	23.996494
"1473154"	134.053197	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H+Na"	23.996494
"1064577"	89.7045566666667	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2H+Na"	25.00377
"1262978"	277.143386	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+CH3OH+H"	33.033486
"389937"	527.182958	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+K"	38.963158
"745829"	771.292858	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+K"	38.963158
"1554079"	283.073058	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+K"	38.963158
"310527"	264.095117	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+H+K"	39.970434
"706433"	386.150067	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+H+K"	39.970434
"1460414"	142.040167	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H+K"	39.970434
"246461"	530.253626	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+ACN+H"	42.033826
"1221722"	286.143726	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+ACN+H"	42.033826
"1209097"	143.575501	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+ACN+2H"	43.041102
"202128"	533.19096	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+2Na-H"	44.97116
"642781"	777.30086	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+2Na-H"	44.97116
"1146293"	289.08106	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2Na-H"	44.97116
"188246"	267.099118	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+2Na"	45.978436
"626585"	389.154068	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+2Na"	45.978436
"1126448"	145.044168	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2Na"	45.978436
"1405596"	97.0318706666667	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H+2Na"	46.985712
"1442087"	291.122646	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H+HCOOH"	47.012746
"235106"	272.13214	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+3H2O+2H"	56.04448
"1517654"	305.17469	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+IsoProp+H"	61.06479
"416250"	275.086088	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+Na+K"	61.952376
"784418"	397.141038	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+Na+K"	61.952376
"1679784"	153.031138	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Na+K"	61.952376
"265572"	552.235568	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+ACN+Na"	64.015768
"1238653"	308.125668	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+ACN+Na"	64.015768
"1726078"	308.149193	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+NH4+HCOOH"	64.039293
"1190333"	104.359184666667	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+3Na"	68.967654
"1658039"	313.104588	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Na+HCOOH"	68.994688
"164902"	565.13884	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+2K-H"	76.91904
"604461"	809.24874	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+2K-H"	76.91904
"1092253"	321.02894	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2K-H"	76.91904
"144700"	283.073058	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"2M+2K"	77.926316
"582439"	405.128008	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"3M+2K"	77.926316
"1073146"	161.018108	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2K"	77.926316
"1105263"	323.043492	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2K+H"	78.933592
"1340557"	323.131107	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+DMSO+H"	79.021207
"1014552"	327.170276	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2ACN+H"	83.060376
"1532680"	328.163908	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+IsoProp+Na+H"	84.054008
"996939"	164.088776	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+2ACN+2H"	84.067652
"1591445"	329.078528	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+K+HCOOH"	84.968628
"1419292"	359.110038	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+H+CF3COOH"	115.000138
"1149943"	184.602051	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+3ACN+2H"	125.094202
"1708973"	376.136585	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+NH4+CF3COOH"	132.026685
"1640250"	381.09198	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+Na+CF3COOH"	136.98208
"1574812"	397.06592	"C13626"	"5-Hydroxybisphenol A;5-Hydroxybisphenol;BPAcatechol"	"C15H16O3"	"244.1099"	"M+K+CF3COOH"	152.95602
"808457"	242.0943	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M"	0
"987458"	223.07591	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"71326"	160.388924	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"518060"	241.087024	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"891971"	79.690824	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"7264"	241.087024	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"450105"	362.134174	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"821346"	120.039874	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"90087"	483.181324	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"524178"	725.275624	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"901980"	241.087024	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"51981"	500.207871	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"495917"	742.302171	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"873719"	258.113571	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"38339"	505.163266	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"478994"	747.257566	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"862265"	263.068966	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1624144"	263.068966	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"102859"	259.075363	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"546793"	380.122513	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"938122"	138.028213	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"275585"	519.158002	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"672383"	761.252302	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1285880"	277.063702	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"29530"	521.137206	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"465816"	763.231506	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"845440"	279.042906	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1563827"	279.042906	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"949523"	287.092494	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"368831"	529.186801	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"359279"	543.202451	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1502642"	301.108151	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"970185"	309.074451	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"119454"	277.063702	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"561567"	398.110852	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1034011"	156.016552	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1244838"	321.013185	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1306561"	323.069172	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1321507"	345.051129	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"911836"	355.079886	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1290000"	391.056564	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1371813"	207.081624	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1394778"	225.0916	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"290090"	485.195876	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"686884"	727.290176	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1365420"	243.101576	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"139287"	243.101576	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"580429"	364.148726	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1049955"	122.054426	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"217489"	162.403476	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"653043"	243.101576	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1173357"	81.705376	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"437368"	502.222423	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"799091"	744.316723	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1694688"	260.128123	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"342241"	251.6148495	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"737215"	372.6619995	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1491033"	130.5676995	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"408297"	507.177818	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"768883"	749.272118	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1617711"	265.083518	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"329902"	254.092547	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"722756"	375.139697	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1469255"	133.045397	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1063593"	89.03269	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1263088"	275.127786	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"391140"	523.151758	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"753231"	765.246058	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1555284"	281.057458	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"312459"	262.079517	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"706831"	383.126667	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1460888"	141.032367	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"250583"	526.222426	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1222926"	284.128126	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1209000"	142.567701	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"203573"	529.15976	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"643622"	771.25406	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1146567"	287.06546	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"188415"	265.083518	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"628319"	386.130668	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1128744"	144.036368	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1412267"	96.360004	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1445401"	289.107046	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"235386"	270.11654	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1519951"	303.15909	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"418548"	273.070488	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"784531"	394.117638	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1680909"	152.023338	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"266535"	548.204368	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1240869"	306.110068	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1726797"	306.133593	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1193359"	103.687318	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1660335"	311.088988	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"167200"	561.10764	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"606758"	803.20194	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1089451"	319.01334	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"145903"	281.057458	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"583642"	402.104608	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1073258"	160.010308	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1106468"	321.027892	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1340666"	321.115507	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1011382"	325.154676	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1533883"	326.148308	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"995955"	163.080976	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1590459"	327.062928	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1418307"	357.094438	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1148958"	183.594251	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1706896"	374.120985	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1638173"	379.07638	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1576015"	395.05032	"C13628"	"45-Bisphenol-o-quinone;BPAquinone"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"805287"	244.1099	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M"	0
"987568"	225.09151	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-H2O-H"	-19.01839
"74716"	161.732657333333	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M-3H"	-3.021828
"516468"	243.102624	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M-3H"	-3.021828
"890988"	80.3626906666667	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-3H"	-3.021828
"7374"	243.102624	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M-2H"	-2.014552
"449122"	365.157574	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M-2H"	-2.014552
"820363"	121.047674	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-2H"	-2.014552
"90197"	487.212524	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M-H"	-1.007276
"523195"	731.322424	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M-H"	-1.007276
"899904"	243.102624	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-H"	-1.007276
"49904"	504.239071	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M-2H+NH4"	16.019271
"493840"	748.348971	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M-2H+NH4"	16.019271
"872736"	260.129171	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-2H+NH4"	16.019271
"41730"	509.194466	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M-2H+Na"	20.974666
"475824"	753.304366	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M-2H+Na"	20.974666
"861282"	265.084566	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-2H+Na"	20.974666
"1626441"	265.084566	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Na-2H"	20.974666
"101876"	261.090963	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M-H+Cl"	33.962126
"542532"	383.145913	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M-H+Cl"	33.962126
"933860"	139.036013	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-H+Cl"	33.962126
"273511"	523.189202	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+Cl"	34.969402
"674927"	767.299102	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+Cl"	34.969402
"1285990"	279.079302	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Cl"	34.969402
"27454"	525.168406	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M-2H+K"	36.948606
"468479"	769.278306	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M-2H+K"	36.948606
"843728"	281.058506	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-2H+K"	36.948606
"1566124"	281.058506	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+K-2H"	36.948606
"952912"	289.108094	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-H+HCOOH"	44.998194
"371128"	533.218001	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+HCOOH-H"	44.998201
"360482"	547.233651	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+Hac-H"	59.013851
"1504208"	303.123751	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Hac-H"	59.013851
"970659"	311.090051	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-H+NaCOOH"	66.980151
"120292"	279.079302	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+2Cl"	69.938804
"558758"	401.134252	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+2Cl"	69.938804
"1032662"	157.024352	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2Cl"	69.938804
"1249324"	323.028785	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Br"	78.918885
"1308492"	325.084772	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Cl+HCOOH"	80.974872
"1322708"	347.066729	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Cl+NaCOOH"	102.956829
"913402"	357.095486	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M-H+CF3COOH"	112.985586
"1290110"	393.072164	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Cl+CF3COOH"	148.962264
"1370829"	209.097224	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H-2H2O"	-35.012676
"1394888"	227.1072	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H-H2O"	-17.0027
"294575"	489.227076	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+H"	1.007276
"689182"	733.336976	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+H"	1.007276
"1364802"	245.117176	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H"	1.007276
"139516"	245.117176	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+2H"	2.014552
"580664"	367.172126	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+2H"	2.014552
"1052256"	123.062226	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2H"	2.014552
"215779"	163.747209333333	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+3H"	3.021828
"654247"	245.117176	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+3H"	3.021828
"1177601"	82.3772426666667	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+3H"	3.021828
"436749"	506.253623	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+NH4"	18.033823
"799201"	750.363523	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+NH4"	18.033823
"1694069"	262.143723	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+NH4"	18.033823
"343079"	253.6304495	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+H+NH4"	19.041099
"736475"	375.6853995	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+H+NH4"	19.041099
"1491023"	131.5754995	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H+NH4"	19.041099
"408244"	511.209018	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+Na"	22.989218
"768630"	755.318918	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+Na"	22.989218
"1615999"	267.099118	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Na"	22.989218
"328224"	256.108147	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+H+Na"	23.996494
"720645"	378.163097	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+H+Na"	23.996494
"1469366"	134.053197	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H+Na"	23.996494
"1060424"	89.7045566666667	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2H+Na"	25.00377
"1266478"	277.143386	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+CH3OH+H"	33.033486
"391615"	527.182958	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+K"	38.963158
"751153"	771.292858	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+K"	38.963158
"1554300"	283.073058	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+K"	38.963158
"311476"	264.095117	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+H+K"	39.970434
"706734"	386.150067	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+H+K"	39.970434
"1460876"	142.040167	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H+K"	39.970434
"248505"	530.253626	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+ACN+H"	42.033826
"1222672"	286.143726	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+ACN+H"	42.033826
"1208746"	143.575501	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+ACN+2H"	43.041102
"203562"	533.19096	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+2Na-H"	44.97116
"644128"	777.30086	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+2Na-H"	44.97116
"1146899"	289.08106	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2Na-H"	44.97116
"187980"	267.099118	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+2Na"	45.978436
"628023"	389.154068	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+2Na"	45.978436
"1129463"	145.044168	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2Na"	45.978436
"1412256"	97.0318706666667	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H+2Na"	46.985712
"1445224"	291.122646	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H+HCOOH"	47.012746
"235286"	272.13214	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+3H2O+2H"	56.04448
"1521884"	305.17469	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+IsoProp+H"	61.06479
"414285"	275.086088	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+Na+K"	61.952376
"784518"	397.141038	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+Na+K"	61.952376
"1680499"	153.031138	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Na+K"	61.952376
"266736"	552.235568	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+ACN+Na"	64.015768
"1240984"	308.125668	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+ACN+Na"	64.015768
"1728293"	308.149193	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+NH4+HCOOH"	64.039293
"1192013"	104.359184666667	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+3Na"	68.967654
"1660445"	313.104588	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Na+HCOOH"	68.994688
"166217"	565.13884	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+2K-H"	76.91904
"603589"	809.24874	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+2K-H"	76.91904
"1090291"	321.02894	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2K-H"	76.91904
"147106"	283.073058	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"2M+2K"	77.926316
"584481"	405.128008	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"3M+2K"	77.926316
"1073368"	161.018108	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2K"	77.926316
"1108761"	323.043492	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2K+H"	78.933592
"1344054"	323.131107	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+DMSO+H"	79.021207
"1013678"	327.170276	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2ACN+H"	83.060376
"1533992"	328.163908	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+IsoProp+Na+H"	84.054008
"993876"	164.088776	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+2ACN+2H"	84.067652
"1589473"	329.078528	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+K+HCOOH"	84.968628
"1419510"	359.110038	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+H+CF3COOH"	115.000138
"1148704"	184.602051	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+3ACN+2H"	125.094202
"1707006"	376.136585	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+NH4+CF3COOH"	132.026685
"1638283"	381.09198	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+Na+CF3COOH"	136.98208
"1576125"	397.06592	"C13629"	"12-Bis(4-hydroxyphenyl)-2-propanol"	"C15H16O3"	"244.1099"	"M+K+CF3COOH"	152.95602
"814145"	241.0739	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M"	0
"989385"	222.05551	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-H2O-H"	-19.01839
"75921"	159.708657333333	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M-3H"	-3.021828
"518001"	240.066624	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M-3H"	-3.021828
"893288"	79.3506906666667	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-3H"	-3.021828
"10768"	240.066624	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M-2H"	-2.014552
"450327"	360.603574	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M-2H"	-2.014552
"824848"	119.529674	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-2H"	-2.014552
"89943"	481.140524	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M-H"	-1.007276
"527682"	722.214424	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M-H"	-1.007276
"902203"	240.066624	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-H"	-1.007276
"52203"	498.167071	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M-2H+NH4"	16.019271
"496137"	739.240971	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M-2H+NH4"	16.019271
"875762"	257.093171	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-2H+NH4"	16.019271
"41840"	503.122466	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M-2H+Na"	20.974666
"479215"	744.196366	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M-2H+Na"	20.974666
"861392"	262.048566	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-2H+Na"	20.974666
"1628740"	262.048566	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Na-2H"	20.974666
"104174"	258.054963	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M-H+Cl"	33.962126
"542642"	378.591913	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M-H+Cl"	33.962126
"936158"	137.518013	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-H+Cl"	33.962126
"272527"	517.117202	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+Cl"	34.969402
"674916"	758.191102	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+Cl"	34.969402
"1282820"	276.043302	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Cl"	34.969402
"27564"	519.096406	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M-2H+K"	36.948606
"468221"	760.170306	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M-2H+K"	36.948606
"844929"	278.022506	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-2H+K"	36.948606
"1561857"	278.022506	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+K-2H"	36.948606
"947553"	286.072094	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-H+HCOOH"	44.998194
"372329"	527.146001	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+HCOOH-H"	44.998201
"351840"	541.161651	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+Hac-H"	59.013851
"1498485"	300.087751	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Hac-H"	59.013851
"968214"	308.054051	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-H+NaCOOH"	66.980151
"117120"	276.043302	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+2Cl"	69.938804
"553034"	396.580252	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+2Cl"	69.938804
"1023655"	155.506352	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2Cl"	69.938804
"1243602"	319.992785	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Br"	78.918885
"1306048"	322.048772	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Cl+HCOOH"	80.974872
"1322452"	344.030729	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Cl+NaCOOH"	102.956829
"911730"	354.059486	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M-H+CF3COOH"	112.985586
"1288881"	390.036164	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Cl+CF3COOH"	148.962264
"1373127"	206.061224	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H-2H2O"	-35.012676
"1383373"	224.0712	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H-H2O"	-17.0027
"290310"	483.155076	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+H"	1.007276
"683825"	724.228976	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+H"	1.007276
"1366371"	242.081176	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H"	1.007276
"140479"	242.081176	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+2H"	2.014552
"580410"	362.618126	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+2H"	2.014552
"1051878"	121.544226	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2H"	2.014552
"214797"	161.723209333333	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+3H"	3.021828
"653264"	242.081176	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+3H"	3.021828
"1176861"	81.3652426666667	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+3H"	3.021828
"435769"	500.181623	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+NH4"	18.033823
"799556"	741.255523	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+NH4"	18.033823
"1694544"	259.107723	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+NH4"	18.033823
"343553"	250.5944495	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+H+NH4"	19.041099
"737191"	371.1313995	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+H+NH4"	19.041099
"1491619"	130.0574995	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H+NH4"	19.041099
"407991"	505.137018	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+Na"	22.989218
"767280"	746.210918	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+Na"	22.989218
"1617448"	264.063118	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Na"	22.989218
"328820"	253.072147	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+H+Na"	23.996494
"718932"	373.609097	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+H+Na"	23.996494
"1471662"	132.535197	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H+Na"	23.996494
"1062725"	88.6925566666667	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2H+Na"	25.00377
"1268775"	274.107386	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+CH3OH+H"	33.033486
"390632"	521.110958	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+K"	38.963158
"752722"	762.184858	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+K"	38.963158
"1553683"	280.037058	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+K"	38.963158
"313047"	261.059117	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+H+K"	39.970434
"706807"	381.596067	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+H+K"	39.970434
"1461197"	140.522167	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H+K"	39.970434
"250692"	524.181626	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+ACN+H"	42.033826
"1225427"	283.107726	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+ACN+H"	42.033826
"1209636"	142.057501	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+ACN+2H"	43.041102
"203797"	527.11896	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+2Na-H"	44.97116
"643973"	768.19286	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+2Na-H"	44.97116
"1146505"	286.04506	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2Na-H"	44.97116
"187973"	264.063118	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+2Na"	45.978436
"628141"	384.600068	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+2Na"	45.978436
"1130916"	143.526168	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2Na"	45.978436
"1413224"	96.0198706666667	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H+2Na"	46.985712
"1445343"	288.086646	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H+HCOOH"	47.012746
"233573"	269.09614	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+3H2O+2H"	56.04448
"1522729"	302.13869	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+IsoProp+H"	61.06479
"419862"	272.050088	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+Na+K"	61.952376
"785361"	392.587038	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+Na+K"	61.952376
"1680244"	151.513138	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Na+K"	61.952376
"266152"	546.163568	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+ACN+Na"	64.015768
"1240852"	305.089668	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+ACN+Na"	64.015768
"1727875"	305.113193	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+NH4+HCOOH"	64.039293
"1192125"	103.347184666667	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+3Na"	68.967654
"1659101"	310.068588	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Na+HCOOH"	68.994688
"166693"	559.06684	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+2K-H"	76.91904
"600786"	800.14074	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+2K-H"	76.91904
"1090401"	317.99294	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2K-H"	76.91904
"150498"	280.037058	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"2M+2K"	77.926316
"584593"	400.574008	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"3M+2K"	77.926316
"1072386"	159.500108	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2K"	77.926316
"1107418"	320.007492	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2K+H"	78.933592
"1341980"	320.095107	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+DMSO+H"	79.021207
"1011605"	324.134276	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2ACN+H"	83.060376
"1531915"	325.127908	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+IsoProp+Na+H"	84.054008
"1000547"	162.570776	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+2ACN+2H"	84.067652
"1587068"	326.042528	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+K+HCOOH"	84.968628
"1415244"	356.074038	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+H+CF3COOH"	115.000138
"1149910"	183.084051	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+3ACN+2H"	125.094202
"1699461"	373.100585	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+NH4+CF3COOH"	132.026685
"1637300"	378.05598	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+Na+CF3COOH"	136.98208
"1575142"	394.02992	"C13630"	"7-Ethoxyresorufin;7-Ethoxyphenoxazone"	"C14H11NO3"	"241.0739"	"M+K+CF3COOH"	152.95602
"816926"	244.1099	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M"	0
"989492"	225.09151	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-H2O-H"	-19.01839
"76031"	161.732657333333	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M-3H"	-3.021828
"518112"	243.102624	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M-3H"	-3.021828
"893398"	80.3626906666667	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-3H"	-3.021828
"10878"	243.102624	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M-2H"	-2.014552
"447157"	365.157574	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M-2H"	-2.014552
"827145"	121.047674	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-2H"	-2.014552
"90419"	487.212524	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M-H"	-1.007276
"527792"	731.322424	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M-H"	-1.007276
"908512"	243.102624	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-H"	-1.007276
"59970"	504.239071	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M-2H+NH4"	16.019271
"498071"	748.348971	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M-2H+NH4"	16.019271
"876237"	260.129171	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-2H+NH4"	16.019271
"44138"	509.194466	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M-2H+Na"	20.974666
"482604"	753.304366	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M-2H+Na"	20.974666
"860044"	265.084566	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-2H+Na"	20.974666
"1628849"	265.084566	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Na-2H"	20.974666
"105379"	261.090963	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M-H+Cl"	33.962126
"543845"	383.145913	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M-H+Cl"	33.962126
"937361"	139.036013	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-H+Cl"	33.962126
"280292"	523.189202	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+Cl"	34.969402
"667247"	767.299102	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+Cl"	34.969402
"1284025"	279.079302	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Cl"	34.969402
"27674"	525.168406	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M-2H+K"	36.948606
"466146"	769.278306	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M-2H+K"	36.948606
"837389"	281.058506	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-2H+K"	36.948606
"1559781"	281.058506	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+K-2H"	36.948606
"948757"	289.108094	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-H+HCOOH"	44.998194
"370254"	533.218001	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+HCOOH-H"	44.998201
"351950"	547.233651	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+Hac-H"	59.013851
"1498595"	303.123751	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Hac-H"	59.013851
"970150"	311.090051	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-H+NaCOOH"	66.980151
"117231"	279.079302	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+2Cl"	69.938804
"556792"	401.134252	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+2Cl"	69.938804
"1027049"	157.024352	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2Cl"	69.938804
"1245532"	323.028785	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Br"	78.918885
"1308347"	325.084772	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Cl+HCOOH"	80.974872
"1320019"	347.066729	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Cl+NaCOOH"	102.956829
"913256"	357.095486	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M-H+CF3COOH"	112.985586
"1288871"	393.072164	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Cl+CF3COOH"	148.962264
"1368009"	209.097224	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H-2H2O"	-35.012676
"1385990"	227.1072	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H-H2O"	-17.0027
"290418"	489.227076	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+H"	1.007276
"683935"	733.336976	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+H"	1.007276
"1365753"	245.117176	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H"	1.007276
"139738"	245.117176	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+2H"	2.014552
"580398"	367.172126	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+2H"	2.014552
"1051379"	123.062226	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2H"	2.014552
"216000"	163.747209333333	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+3H"	3.021828
"654467"	245.117176	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+3H"	3.021828
"1175875"	82.3772426666667	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+3H"	3.021828
"435515"	506.253623	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+NH4"	18.033823
"799425"	750.363523	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+NH4"	18.033823
"1695388"	262.143723	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+NH4"	18.033823
"345490"	253.6304495	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+H+NH4"	19.041099
"736086"	375.6853995	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+H+NH4"	19.041099
"1491000"	131.5754995	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H+NH4"	19.041099
"407491"	511.209018	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+Na"	22.989218
"769464"	755.318918	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+Na"	22.989218
"1617434"	267.099118	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Na"	22.989218
"329537"	256.108147	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+H+Na"	23.996494
"719044"	378.163097	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+H+Na"	23.996494
"1470678"	134.053197	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H+Na"	23.996494
"1062836"	89.7045566666667	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2H+Na"	25.00377
"1267792"	277.143386	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+CH3OH+H"	33.033486
"389287"	527.182958	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+K"	38.963158
"751739"	771.292858	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+K"	38.963158
"1551242"	283.073058	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+K"	38.963158
"308784"	264.095117	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+H+K"	39.970434
"705580"	386.150067	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+H+K"	39.970434
"1459891"	142.040167	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H+K"	39.970434
"249708"	530.253626	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+ACN+H"	42.033826
"1224727"	286.143726	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+ACN+H"	42.033826
"1208370"	143.575501	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+ACN+2H"	43.041102
"203663"	533.19096	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+2Na-H"	44.97116
"643960"	777.30086	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+2Na-H"	44.97116
"1145884"	289.08106	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2Na-H"	44.97116
"188433"	267.099118	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+2Na"	45.978436
"625931"	389.154068	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+2Na"	45.978436
"1130052"	145.044168	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2Na"	45.978436
"1413824"	97.0318706666667	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H+2Na"	46.985712
"1445454"	291.122646	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H+HCOOH"	47.012746
"235518"	272.13214	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+3H2O+2H"	56.04448
"1522718"	305.17469	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+IsoProp+H"	61.06479
"421066"	275.086088	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+Na+K"	61.952376
"785352"	397.141038	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+Na+K"	61.952376
"1680718"	153.031138	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Na+K"	61.952376
"266142"	552.235568	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+ACN+Na"	64.015768
"1240311"	308.125668	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+ACN+Na"	64.015768
"1728227"	308.149193	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+NH4+HCOOH"	64.039293
"1193210"	104.359184666667	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+3Na"	68.967654
"1663584"	313.104588	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Na+HCOOH"	68.994688
"167529"	565.13884	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+2K-H"	76.91904
"599802"	809.24874	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+2K-H"	76.91904
"1086503"	321.02894	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2K-H"	76.91904
"142955"	283.073058	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"2M+2K"	77.926316
"586889"	405.128008	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"3M+2K"	77.926316
"1075772"	161.018108	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2K"	77.926316
"1106797"	323.043492	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2K+H"	78.933592
"1344275"	323.131107	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+DMSO+H"	79.021207
"1012803"	327.170276	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2ACN+H"	83.060376
"1535302"	328.163908	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+IsoProp+Na+H"	84.054008
"1002846"	164.088776	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+2ACN+2H"	84.067652
"1592979"	329.078528	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+K+HCOOH"	84.968628
"1418638"	359.110038	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+H+CF3COOH"	115.000138
"1151112"	184.602051	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+3ACN+2H"	125.094202
"1708323"	376.136585	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+NH4+CF3COOH"	132.026685
"1645066"	381.09198	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+Na+CF3COOH"	136.98208
"1575252"	397.06592	"C13631"	"22-Bis(4-hydroxyphenyl)-1-propanol"	"C15H16O3"	"244.1099"	"M+K+CF3COOH"	152.95602
"805617"	226.0994	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M"	0
"985711"	207.08101	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-H2O-H"	-19.01839
"77601"	149.725657333333	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M-3H"	-3.021828
"517979"	225.092124	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M-3H"	-3.021828
"893508"	74.3591906666667	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-3H"	-3.021828
"12811"	225.092124	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M-2H"	-2.014552
"447267"	338.141824	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M-2H"	-2.014552
"827255"	112.042424	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-2H"	-2.014552
"91258"	451.191524	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M-H"	-1.007276
"530454"	677.290924	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M-H"	-1.007276
"909109"	225.092124	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-H"	-1.007276
"59352"	468.218071	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M-2H+NH4"	16.019271
"497088"	694.317471	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M-2H+NH4"	16.019271
"875255"	242.118671	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-2H+NH4"	16.019271
"43520"	473.173466	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M-2H+Na"	20.974666
"481622"	699.272866	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M-2H+Na"	20.974666
"863559"	247.074066	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-2H+Na"	20.974666
"1631876"	247.074066	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Na-2H"	20.974666
"104395"	243.080463	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M-H+Cl"	33.962126
"543955"	356.130163	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M-H+Cl"	33.962126
"937471"	130.030763	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-H+Cl"	33.962126
"277122"	487.168202	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+Cl"	34.969402
"667357"	713.267602	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+Cl"	34.969402
"1287176"	261.068802	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Cl"	34.969402
"29973"	489.147406	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M-2H+K"	36.948606
"464069"	715.246806	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M-2H+K"	36.948606
"837499"	263.048006	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-2H+K"	36.948606
"1559892"	263.048006	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+K-2H"	36.948606
"948869"	271.097594	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-H+HCOOH"	44.998194
"369270"	497.197001	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+HCOOH-H"	44.998201
"356435"	511.212651	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+Hac-H"	59.013851
"1498706"	285.113251	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Hac-H"	59.013851
"969529"	293.079551	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-H+NaCOOH"	66.980151
"116245"	261.068802	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+2Cl"	69.938804
"559088"	374.118502	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+2Cl"	69.938804
"1025702"	148.019102	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2Cl"	69.938804
"1242849"	305.018285	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Br"	78.918885
"1306997"	307.074272	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Cl+HCOOH"	80.974872
"1321213"	329.056229	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Cl+NaCOOH"	102.956829
"911702"	339.084986	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M-H+CF3COOH"	112.985586
"1289345"	375.061664	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Cl+CF3COOH"	148.962264
"1367873"	191.086724	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H-2H2O"	-35.012676
"1384276"	209.0967	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H-H2O"	-17.0027
"284692"	453.206076	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+H"	1.007276
"679669"	679.305476	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+H"	1.007276
"1360392"	227.106676	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H"	1.007276
"130000"	227.106676	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+2H"	2.014552
"578311"	340.156376	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+2H"	2.014552
"1051123"	114.056976	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2H"	2.014552
"213920"	151.740209333333	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+3H"	3.021828
"652389"	227.106676	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+3H"	3.021828
"1169422"	76.3737426666667	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+3H"	3.021828
"438781"	470.232623	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+NH4"	18.033823
"801192"	696.332023	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+NH4"	18.033823
"1694769"	244.133223	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+NH4"	18.033823
"345476"	235.6199495	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+H+NH4"	19.041099
"737288"	348.6696495	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+H+NH4"	19.041099
"1491110"	122.5702495	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H+NH4"	19.041099
"406870"	475.188018	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+Na"	22.989218
"769325"	701.287418	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+Na"	22.989218
"1617421"	249.088618	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Na"	22.989218
"328795"	238.097647	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+H+Na"	23.996494
"720247"	351.147347	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+H+Na"	23.996494
"1471881"	125.047947	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H+Na"	23.996494
"1065132"	83.7010566666667	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2H+Na"	25.00377
"1270089"	259.132886	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+CH3OH+H"	33.033486
"391216"	491.161958	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+K"	38.963158
"751485"	717.261358	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+K"	38.963158
"1552445"	265.062558	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+K"	38.963158
"307800"	246.084617	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+H+K"	39.970434
"706054"	359.134317	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+H+K"	39.970434
"1459876"	133.034917	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H+K"	39.970434
"250874"	494.232626	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+ACN+H"	42.033826
"1225323"	268.133226	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+ACN+H"	42.033826
"1209333"	134.570251	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+ACN+2H"	43.041102
"203043"	497.16996	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+2Na-H"	44.97116
"643947"	723.26936	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+2Na-H"	44.97116
"1146111"	271.07056	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2Na-H"	44.97116
"187461"	249.088618	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+2Na"	45.978436
"626769"	362.138318	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+2Na"	45.978436
"1130038"	136.038918	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2Na"	45.978436
"1413325"	91.0283706666667	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H+2Na"	46.985712
"1444099"	273.112146	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H+HCOOH"	47.012746
"234647"	254.12164	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+3H2O+2H"	56.04448
"1520397"	287.16419	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+IsoProp+H"	61.06479
"420082"	257.075588	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+Na+K"	61.952376
"785222"	370.125288	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+Na+K"	61.952376
"1680584"	144.025888	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Na+K"	61.952376
"265646"	516.214568	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+ACN+Na"	64.015768
"1240661"	290.115168	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+ACN+Na"	64.015768
"1727724"	290.138693	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+NH4+HCOOH"	64.039293
"1192711"	98.3556846666667	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+3Na"	68.967654
"1663700"	295.094088	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Na+HCOOH"	68.994688
"170194"	529.11784	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+2K-H"	76.91904
"601005"	755.21724	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+2K-H"	76.91904
"1086249"	303.01844	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2K-H"	76.91904
"143065"	265.062558	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"2M+2K"	77.926316
"585906"	378.112258	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"3M+2K"	77.926316
"1074787"	152.012858	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2K"	77.926316
"1108000"	305.032992	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2K+H"	78.933592
"1343291"	305.120607	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+DMSO+H"	79.021207
"1011820"	309.159776	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2ACN+H"	83.060376
"1529945"	310.153408	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+IsoProp+Na+H"	84.054008
"1000767"	155.083526	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+2ACN+2H"	84.067652
"1591995"	311.068028	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+K+HCOOH"	84.968628
"1418748"	341.099538	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+H+CF3COOH"	115.000138
"1152318"	175.596801	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+3ACN+2H"	125.094202
"1709526"	358.126085	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+NH4+CF3COOH"	132.026685
"1648458"	363.08148	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+Na+CF3COOH"	136.98208
"1575362"	379.05542	"C13632"	"44-Dihydroxy-alpha-methylstilbene"	"C15H14O2"	"226.0994"	"M+K+CF3COOH"	152.95602
"813382"	258.0892	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M"	0
"989348"	239.07081	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"74064"	171.052190666667	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"518256"	257.081924	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"895323"	85.0224573333333	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"12921"	257.081924	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"447377"	386.126524	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"827365"	128.037324	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"91732"	515.171124	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"532023"	773.260324	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"908368"	257.081924	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"59826"	532.197671	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"499020"	790.286871	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"875729"	274.108471	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"43630"	537.153066	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"479545"	795.242266	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"861359"	279.063866	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1631622"	279.063866	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"105963"	275.070263	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"543701"	404.114863	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"931018"	146.025663	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"276138"	551.147802	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"666371"	809.237002	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1287165"	293.058602	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"30083"	553.127006	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"463085"	811.216206	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"840889"	295.037806	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1560002"	295.037806	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"950072"	303.087394	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"370473"	561.176601	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"356545"	575.192251	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1498816"	317.103051	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"967452"	325.069351	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"117448"	293.058602	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"559198"	422.103202	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1025812"	164.014002	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1244295"	337.008085	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1307473"	339.064072	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1323510"	361.046029	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"912137"	371.074786	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1289450"	407.051464	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1367982"	223.076524	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1384384"	241.0865	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"284436"	517.185676	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"677591"	775.274876	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1355033"	259.096476	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"130108"	259.096476	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"567848"	388.141076	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1043938"	130.051876	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"214030"	173.066742666667	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"654685"	259.096476	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1171716"	87.0370093333333	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"431709"	534.212223	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"798913"	792.301423	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1693419"	276.123023	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"343157"	267.6097495	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"734849"	396.6543495	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1487939"	138.5651495	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"402243"	539.167618	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"765425"	797.256818	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1613521"	281.078418	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"326840"	270.087447	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"715982"	399.132047	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1468713"	141.042847	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1063050"	94.3643233333333	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1268739"	291.122686	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"387682"	555.141558	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"746491"	813.230758	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1548543"	297.052358	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"311188"	278.074417	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"703974"	407.119017	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1459982"	149.029817	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"249678"	558.212226	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1225226"	300.123026	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1209430"	150.565151	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"200964"	561.14956	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"642711"	819.23876	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1145732"	303.06036	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"188175"	281.078418	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"624690"	410.123018	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1130389"	152.033818	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1413679"	101.691637333333	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1445424"	305.101946	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"235319"	286.11144	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1520871"	319.15399	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"418006"	289.065388	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"785414"	418.109988	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1680692"	160.020788	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"265876"	580.194168	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1240773"	322.104968	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1727832"	322.128493	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1192821"	109.018951333333	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1664660"	327.083888	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"167387"	593.09744	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"600022"	851.18664	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1085266"	335.00824	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"143174"	297.052358	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"583829"	426.096958	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1072711"	168.007758	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1107016"	337.022792	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1341217"	337.110407	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1011932"	341.149576	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1528964"	342.143208	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1000878"	171.078426	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1591010"	343.057828	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1415575"	373.089338	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1153521"	191.591701	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1708544"	390.115885	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1646381"	395.07128	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1575472"	411.04522	"C13633"	"22-Bis(4-hydroxyphenyl)-propanoic acid"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"805837"	260.1049	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M"	0
"989805"	241.08651	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-H2O-H"	-19.01839
"76361"	172.395990666667	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M-3H"	-3.021828
"518319"	259.097624	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M-3H"	-3.021828
"895449"	85.6943573333333	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-3H"	-3.021828
"15463"	259.097624	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M-2H"	-2.014552
"451860"	389.150074	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M-2H"	-2.014552
"829662"	129.045174	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-2H"	-2.014552
"91842"	519.202524	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M-H"	-1.007276
"532862"	779.307424	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M-H"	-1.007276
"908478"	259.097624	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-H"	-1.007276
"60665"	536.229071	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M-2H+NH4"	16.019271
"497308"	796.333971	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M-2H+NH4"	16.019271
"875839"	276.124171	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-2H+NH4"	16.019271
"41188"	541.184466	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M-2H+Na"	20.974666
"479655"	801.289366	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M-2H+Na"	20.974666
"863864"	281.079566	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-2H+Na"	20.974666
"1633557"	281.079566	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Na-2H"	20.974666
"106074"	277.085963	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M-H+Cl"	33.962126
"541988"	407.138413	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M-H+Cl"	33.962126
"931128"	147.033513	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-H+Cl"	33.962126
"278435"	555.179202	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+Cl"	34.969402
"668304"	815.284102	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+Cl"	34.969402
"1288008"	295.074302	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Cl"	34.969402
"29100"	557.158406	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M-2H+K"	36.948606
"465379"	817.263306	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M-2H+K"	36.948606
"843185"	297.053506	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-2H+K"	36.948606
"1560112"	297.053506	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+K-2H"	36.948606
"950182"	305.103094	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-H+HCOOH"	44.998194
"370583"	565.208001	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+HCOOH-H"	44.998201
"357749"	579.223651	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+Hac-H"	59.013851
"1504393"	319.118751	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Hac-H"	59.013851
"971572"	327.085051	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-H+NaCOOH"	66.980151
"120839"	295.074302	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+2Cl"	69.938804
"559309"	425.126752	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+2Cl"	69.938804
"1024829"	165.021852	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2Cl"	69.938804
"1243312"	339.023785	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Br"	78.918885
"1304786"	341.079772	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Cl+HCOOH"	80.974872
"1321799"	363.061729	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Cl+NaCOOH"	102.956829
"914314"	373.090486	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M-H+CF3COOH"	112.985586
"1289158"	409.067164	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Cl+CF3COOH"	148.962264
"1371377"	225.092224	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H-2H2O"	-35.012676
"1385592"	243.1022	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H-H2O"	-17.0027
"283820"	521.217076	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+H"	1.007276
"678793"	781.321976	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+H"	1.007276
"1356236"	261.112176	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H"	1.007276
"130218"	261.112176	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+2H"	2.014552
"568687"	391.164626	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+2H"	2.014552
"1042955"	131.059726	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2H"	2.014552
"213044"	174.410542666667	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+3H"	3.021828
"654795"	261.112176	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+3H"	3.021828
"1175106"	87.7089093333333	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+3H"	3.021828
"432911"	538.243623	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+NH4"	18.033823
"800603"	798.348523	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+NH4"	18.033823
"1695352"	278.138723	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+NH4"	18.033823
"343997"	269.6254495	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+H+NH4"	19.041099
"737147"	399.6778995	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+H+NH4"	19.041099
"1489871"	139.5729995	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H+NH4"	19.041099
"405999"	543.199018	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+Na"	22.989218
"768453"	803.303918	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+Na"	22.989218
"1616792"	283.094118	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Na"	22.989218
"329745"	272.103147	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+H+Na"	23.996494
"718279"	402.155597	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+H+Na"	23.996494
"1472831"	142.050697	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H+Na"	23.996494
"1064618"	95.0362233333333	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2H+Na"	25.00377
"1270672"	293.138386	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+CH3OH+H"	33.033486
"387789"	559.172958	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+K"	38.963158
"752069"	819.277858	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+K"	38.963158
"1551933"	299.068058	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+K"	38.963158
"312755"	280.090117	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+H+K"	39.970434
"705542"	410.142567	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+H+K"	39.970434
"1460868"	150.037667	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H+K"	39.970434
"250882"	562.243626	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+ACN+H"	42.033826
"1225606"	302.138726	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+ACN+H"	42.033826
"1209299"	151.573001	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+ACN+2H"	43.041102
"202897"	565.18096	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+2Na-H"	44.97116
"642093"	825.28586	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+2Na-H"	44.97116
"1146531"	305.07606	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2Na-H"	44.97116
"187999"	283.094118	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+2Na"	45.978436
"624800"	413.146568	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+2Na"	45.978436
"1130499"	153.041668	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2Na"	45.978436
"1414031"	102.363537333333	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H+2Na"	46.985712
"1444963"	307.117646	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H+HCOOH"	47.012746
"232548"	288.12714	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+3H2O+2H"	56.04448
"1522074"	321.16969	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+IsoProp+H"	61.06479
"419938"	291.081088	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+Na+K"	61.952376
"785439"	421.133538	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+Na+K"	61.952376
"1681241"	161.028638	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Na+K"	61.952376
"266714"	584.225568	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+ACN+Na"	64.015768
"1241204"	324.120668	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+ACN+Na"	64.015768
"1728270"	324.144193	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+NH4+HCOOH"	64.039293
"1191836"	109.690851333333	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+3Na"	68.967654
"1665213"	329.099588	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Na+HCOOH"	68.994688
"168591"	597.12884	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+2K-H"	76.91904
"598673"	857.23374	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+2K-H"	76.91904
"1085250"	337.02394	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2K-H"	76.91904
"143647"	299.068058	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"2M+2K"	77.926316
"583209"	429.120508	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"3M+2K"	77.926316
"1070025"	169.015608	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2K"	77.926316
"1107125"	339.038492	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2K+H"	78.933592
"1336459"	339.126107	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+DMSO+H"	79.021207
"1007298"	343.165276	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2ACN+H"	83.060376
"1532354"	344.158908	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+IsoProp+Na+H"	84.054008
"999896"	172.086276	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+2ACN+2H"	84.067652
"1588200"	345.073528	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+K+HCOOH"	84.968628
"1416778"	375.105038	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+H+CF3COOH"	115.000138
"1153631"	192.599551	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+3ACN+2H"	125.094202
"1708654"	392.131585	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+NH4+CF3COOH"	132.026685
"1646491"	397.08698	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+Na+CF3COOH"	136.98208
"1575582"	413.06092	"C13634"	"23-Bis(4-hydroxyphenyl)-12-propanediol"	"C15H16O4"	"260.1049"	"M+K+CF3COOH"	152.95602
"805947"	152.0473	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M"	0
"988109"	133.02891	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"72097"	100.357590666667	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"511663"	151.040024	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"889465"	49.6751573333333	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"10955"	151.040024	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"450877"	227.063674	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"830138"	75.016374	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"88672"	303.087324	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"527140"	455.134624	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"902755"	151.040024	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"56038"	320.113871	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"497054"	472.161171	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"873397"	168.066571	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"40934"	325.069266	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"473204"	477.116566	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"851007"	173.021966	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1624916"	173.021966	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"104359"	169.028363	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"538818"	245.052013	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"927788"	93.004713	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"276358"	339.064002	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"664403"	491.111302	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1285560"	187.016702	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"28116"	341.043206	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"466583"	493.090506	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"842203"	188.995906	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1561315"	188.995906	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"949198"	197.045494	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"368506"	349.092801	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"357858"	363.108451	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1505598"	211.061151	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"970588"	219.027451	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"119857"	187.016702	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"559418"	263.040352	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1022752"	110.993052	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1243422"	230.966185	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1306966"	233.022172	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1322272"	255.004129	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"911873"	265.032886	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1290404"	301.009564	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1371487"	117.034624	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1384971"	135.0446	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"284294"	305.101876	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"676107"	457.149176	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1355253"	153.054576	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"129235"	153.054576	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"569890"	229.078226	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1041973"	77.030926	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"209145"	102.372142666667	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"654905"	153.054576	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1170843"	51.6897093333333	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"433022"	322.128423	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"800225"	474.175723	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1693640"	170.081123	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"344471"	161.5678495	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"736892"	237.5914995	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1489249"	85.5441995	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"404650"	327.083818	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"767834"	479.131118	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1615202"	175.036518	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"327061"	164.045547	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"717297"	240.069197	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1467838"	88.021897	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1063272"	59.0170233333333	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1270418"	185.080786	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"385712"	343.057758	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"751451"	495.105058	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1552043"	191.010458	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"312501"	172.032517	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"704194"	248.056167	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1460932"	96.008867	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"249898"	346.128426	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1224066"	194.081126	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1209286"	97.544201	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"201184"	349.06576	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"639647"	501.11306	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1145223"	197.01846	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"187785"	175.036518	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"621630"	251.060168	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1128421"	99.012868	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1411943"	66.3443373333333	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1438590"	199.060046	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"231565"	180.06954	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1521455"	213.11209	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"418955"	183.023488	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"785433"	259.047138	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1680183"	106.999838	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"267066"	368.110368	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1240947"	216.063068	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1728402"	216.086593	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1192311"	73.6716513333333	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1664030"	221.041988	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"167608"	381.01364	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"597811"	533.06094	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1085848"	228.96634	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"145579"	191.010458	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"584049"	267.034108	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1070745"	114.986808	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1108329"	230.980892	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1336447"	231.068507	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1006436"	235.107676	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1528089"	236.101308	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1000734"	118.057476	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1587457"	237.015928	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1415065"	267.047438	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1153741"	138.570751	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1708763"	284.073985	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1646601"	289.02938	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1575692"	305.00332	"C13635"	"4-Hydroxyphenacyl alcohol;24-Dihydroxyacetophenone"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"812618"	152.0473	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M"	0
"988218"	133.02891	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"72207"	100.357590666667	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"517605"	151.040024	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"893584"	49.6751573333333	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"14345"	151.040024	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"455002"	227.063674	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"826602"	75.016374	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"88418"	303.087324	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"529073"	455.134624	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"906875"	151.040024	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"57969"	320.113871	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"497164"	472.161171	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"873872"	168.066571	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"42501"	325.069266	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"473314"	477.116566	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"858773"	173.021966	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1625026"	173.021966	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"101554"	169.028363	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"539656"	245.052013	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"929159"	93.004713	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"278654"	339.064002	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"668157"	491.111302	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1284575"	187.016702	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"29198"	341.043206	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"465597"	493.090506	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"838295"	188.995906	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1565802"	188.995906	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"950404"	197.045494	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"368618"	349.092801	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"353595"	363.108451	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1505707"	211.061151	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"969970"	219.027451	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"118877"	187.016702	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"557344"	263.040352	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1029424"	110.993052	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1247907"	230.966185	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1307077"	233.022172	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1324575"	255.004129	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"913811"	265.032886	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1291246"	301.009564	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1372693"	117.034624	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1385081"	135.0446	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"284770"	305.101876	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"680109"	457.149176	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1358644"	153.054576	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"130439"	153.054576	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"572186"	229.078226	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1043173"	77.030926	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"207067"	102.372142666667	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"651731"	153.054576	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1166577"	51.6897093333333	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"433132"	322.128423	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"800210"	474.175723	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1692657"	170.081123	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"344946"	161.5678495	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"736273"	237.5914995	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1489359"	85.5441995	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"404759"	327.083818	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"767943"	479.131118	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1616769"	175.036518	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"326805"	164.045547	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"718500"	240.069197	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1470135"	88.021897	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1063382"	59.0170233333333	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1269433"	185.080786	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"384729"	343.057758	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"752776"	495.105058	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1553248"	191.010458	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"311151"	172.032517	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"705034"	248.056167	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1461168"	96.008867	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"250009"	346.128426	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1223812"	194.081126	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1209159"	97.544201	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"202386"	349.06576	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"639757"	501.11306	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1145330"	197.01846	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"188139"	175.036518	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"622833"	251.060168	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1130845"	99.012868	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1413027"	66.3443373333333	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1441980"	199.060046	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"231675"	180.06954	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1521570"	213.11209	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"420523"	183.023488	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"784074"	259.047138	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1678593"	106.999838	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"266569"	368.110368	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1241182"	216.063068	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1728129"	216.086593	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1192061"	73.6716513333333	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1662680"	221.041988	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"165897"	381.01364	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"603269"	533.06094	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1087781"	228.96634	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"147878"	191.010458	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"582457"	267.034108	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1069276"	114.986808	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1101024"	230.980892	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1338263"	231.068507	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1010076"	235.107676	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1531482"	236.101308	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"999750"	118.057476	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1589153"	237.015928	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1420281"	267.047438	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1153851"	138.570751	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1709966"	284.073985	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1646711"	289.02938	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1575802"	305.00332	"C13636"	"4-Hydroxyphenyl acetate"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"812728"	122.0732	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M"	0
"989424"	103.05481	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"72317"	80.3748573333333	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"517350"	121.065924	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"894058"	39.6837906666667	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"14455"	121.065924	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"453650"	182.102524	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"828898"	60.029324	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"88892"	243.139124	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"529547"	365.212324	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"904068"	121.065924	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"54068"	260.165671	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"496909"	382.238871	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"871429"	138.092471	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"42611"	265.121066	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"479985"	387.194266	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"859976"	143.047866	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1625136"	143.047866	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"101664"	139.054263	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"539402"	200.090863	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"931092"	78.017663	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"279857"	279.115802	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"667539"	401.189002	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1285415"	157.042602	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"29308"	281.095006	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"465707"	403.168206	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"840227"	159.021806	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1565912"	159.021806	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"950514"	167.071394	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"369821"	289.144601	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"358078"	303.160251	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1502536"	181.087051	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"971904"	189.053351	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"115707"	157.042602	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"555267"	218.079202	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1025159"	96.006002	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1244373"	200.992085	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1306457"	203.048072	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1324686"	225.030029	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"915744"	235.058786	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1292085"	271.035464	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1371706"	87.060524	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1386287"	105.0705	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"285609"	245.153676	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"680219"	367.226876	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1358754"	123.080476	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"133829"	123.080476	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"574483"	184.117076	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1043282"	62.043876	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"210093"	82.3894093333333	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"649654"	123.080476	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1169966"	41.6983426666667	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"433242"	262.180223	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"799716"	384.253423	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1692766"	140.107023	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"341046"	131.5937495	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"734560"	192.6303495	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1488377"	70.5571495	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"403777"	267.135618	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"765866"	389.208818	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1617243"	145.062418	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"328738"	134.071447	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"717517"	195.108047	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1470245"	73.034847	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1064584"	49.0256566666667	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1268448"	155.106686	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"384839"	283.109558	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"751669"	405.182758	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1553725"	161.036358	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"310539"	142.058417	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"706484"	203.095017	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1460058"	81.021817	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"249751"	286.180226	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1224773"	164.107026	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1209508"	82.557151	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"202130"	289.11756	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"642662"	411.19076	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1143370"	167.04436	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"186300"	145.062418	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"619662"	206.099018	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1130592"	84.025818	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1413798"	56.3529706666667	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1444646"	169.085946	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"234338"	150.09544	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1522045"	183.13799	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"420998"	153.049388	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"782360"	214.085988	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1680884"	92.012788	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"265215"	308.162168	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1240112"	186.088968	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1726446"	186.112493	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1192051"	63.6802846666667	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1661334"	191.067888	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"171599"	321.06544	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"599005"	443.13864	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1087891"	198.99224	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"149082"	161.036358	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"584268"	222.072958	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1068934"	99.999758	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1101989"	201.006792	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1340560"	201.094407	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1010184"	205.133576	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1530498"	206.127208	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"999135"	103.070426	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1591451"	207.041828	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1420391"	237.073338	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1153961"	123.583701	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1708983"	254.099885	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1644633"	259.05528	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1575912"	275.02922	"C13637"	"4-Ethylphenol;p-Ethylphenol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"812838"	138.0681	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M"	0
"989848"	119.04971	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-H2O-H"	-19.01839
"72427"	91.038124	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M-3H"	-3.021828
"518311"	137.060824	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M-3H"	-3.021828
"895620"	45.015424	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-3H"	-3.021828
"15632"	137.060824	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M-2H"	-2.014552
"453759"	206.094874	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M-2H"	-2.014552
"830101"	68.026774	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-2H"	-2.014552
"89002"	275.128924	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M-H"	-1.007276
"530750"	413.197024	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M-H"	-1.007276
"901991"	137.060824	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-H"	-1.007276
"56364"	292.155471	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M-2H+NH4"	16.019271
"489485"	430.223571	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M-2H+NH4"	16.019271
"869352"	154.087371	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-2H+NH4"	16.019271
"42721"	297.110866	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M-2H+Na"	20.974666
"481188"	435.178966	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M-2H+Na"	20.974666
"860086"	159.042766	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-2H+Na"	20.974666
"1628526"	159.042766	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Na-2H"	20.974666
"102867"	155.049163	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M-H+Cl"	33.962126
"540241"	224.083213	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M-H+Cl"	33.962126
"933754"	86.015113	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-H+Cl"	33.962126
"279967"	311.105602	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+Cl"	34.969402
"666921"	449.173702	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+Cl"	34.969402
"1286618"	173.037502	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Cl"	34.969402
"29539"	313.084806	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M-2H+K"	36.948606
"468735"	451.152906	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M-2H+K"	36.948606
"843619"	175.016706	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-2H+K"	36.948606
"1563833"	175.016706	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+K-2H"	36.948606
"947342"	183.066294	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-H+HCOOH"	44.998194
"365556"	321.134401	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+HCOOH-H"	44.998201
"358188"	335.150051	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+Hac-H"	59.013851
"1502646"	197.081951	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Hac-H"	59.013851
"971281"	205.048251	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-H+NaCOOH"	66.980151
"116911"	173.037502	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+2Cl"	69.938804
"557565"	242.071552	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+2Cl"	69.938804
"1027458"	104.003452	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2Cl"	69.938804
"1247036"	216.986985	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Br"	78.918885
"1305839"	219.042972	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Cl+HCOOH"	80.974872
"1322609"	241.024929	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Cl+NaCOOH"	102.956829
"913667"	251.053686	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M-H+CF3COOH"	112.985586
"1290736"	287.030364	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Cl+CF3COOH"	148.962264
"1369265"	103.055424	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H-2H2O"	-35.012676
"1386031"	121.0654	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H-H2O"	-17.0027
"284262"	277.143476	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+H"	1.007276
"678142"	415.211576	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+H"	1.007276
"1358864"	139.075376	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H"	1.007276
"133939"	139.075376	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+2H"	2.014552
"572406"	208.109426	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+2H"	2.014552
"1043392"	70.041326	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2H"	2.014552
"210202"	93.052676	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+3H"	3.021828
"650855"	139.075376	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+3H"	3.021828
"1169348"	47.029976	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+3H"	3.021828
"429705"	294.170023	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+NH4"	18.033823
"799094"	432.238123	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+NH4"	18.033823
"1692874"	156.101923	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+NH4"	18.033823
"341153"	147.5886495	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+H+NH4"	19.041099
"735763"	216.6226995	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+H+NH4"	19.041099
"1488488"	78.5545995	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H+NH4"	19.041099
"406074"	299.125418	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+Na"	22.989218
"766704"	437.193518	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+Na"	22.989218
"1616988"	161.057318	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Na"	22.989218
"325203"	150.066347	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+H+Na"	23.996494
"716533"	219.100397	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+H+Na"	23.996494
"1467075"	81.032297	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H+Na"	23.996494
"1064694"	54.35729	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2H+Na"	25.00377
"1265278"	171.101586	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+CH3OH+H"	33.033486
"386042"	315.099358	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+K"	38.963158
"751779"	453.167458	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+K"	38.963158
"1554928"	177.031258	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+K"	38.963158
"313200"	158.053317	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+H+K"	39.970434
"706797"	227.087367	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+H+K"	39.970434
"1460775"	89.019267	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H+K"	39.970434
"249496"	318.170026	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+ACN+H"	42.033826
"1225295"	180.101926	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+ACN+H"	42.033826
"1209255"	90.554601	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+ACN+2H"	43.041102
"201510"	321.10736	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+2Na-H"	44.97116
"639977"	459.17546	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+2Na-H"	44.97116
"1142023"	183.03926	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2Na-H"	44.97116
"186289"	161.057318	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+2Na"	45.978436
"619406"	230.091368	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+2Na"	45.978436
"1130585"	92.023268	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2Na"	45.978436
"1413708"	61.684604	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H+2Na"	46.985712
"1445288"	185.080846	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H+HCOOH"	47.012746
"234083"	166.09034	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+3H2O+2H"	56.04448
"1523128"	199.13289	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+IsoProp+H"	61.06479
"422565"	169.044288	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+Na+K"	61.952376
"782833"	238.078338	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+Na+K"	61.952376
"1679536"	100.010238	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Na+K"	61.952376
"264230"	340.151968	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+ACN+Na"	64.015768
"1237305"	202.083868	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+ACN+Na"	64.015768
"1725826"	202.107393	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+NH4+HCOOH"	64.039293
"1193498"	69.011918	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+3Na"	68.967654
"1661444"	207.062788	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Na+HCOOH"	68.994688
"163932"	353.05524	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+2K-H"	76.91904
"603490"	491.12334	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+2K-H"	76.91904
"1085449"	214.98714	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2K-H"	76.91904
"147005"	177.031258	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"2M+2K"	77.926316
"584742"	246.065308	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"3M+2K"	77.926316
"1069374"	107.997208	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2K"	77.926316
"1103192"	217.001692	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2K+H"	78.933592
"1341765"	217.089307	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+DMSO+H"	79.021207
"1007742"	221.128476	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2ACN+H"	83.060376
"1529514"	222.122108	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+IsoProp+Na+H"	84.054008
"998150"	111.067876	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+2ACN+2H"	84.067652
"1589007"	223.036728	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+K+HCOOH"	84.968628
"1415760"	253.068238	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+H+CF3COOH"	115.000138
"1157353"	131.581151	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+3ACN+2H"	125.094202
"1708000"	270.094785	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+NH4+CF3COOH"	132.026685
"1644744"	275.05018	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+Na+CF3COOH"	136.98208
"1576022"	291.02412	"C13638"	"1-(4-Hydroxyphenyl)ethanol;4-Hydroxy-alpha-methyl-benzenemethanol;4-(1-Hydroxyethyl)phenol"	"C8H10O2"	"138.0681"	"M+K+CF3COOH"	152.95602
"806387"	215.1077	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M"	0
"987942"	196.08931	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-H2O-H"	-19.01839
"72537"	142.397857333333	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M-3H"	-3.021828
"515384"	214.100424	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M-3H"	-3.021828
"894887"	70.6952906666667	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-3H"	-3.021828
"14675"	214.100424	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M-2H"	-2.014552
"455672"	321.654274	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M-2H"	-2.014552
"830211"	106.546574	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-2H"	-2.014552
"83644"	429.208124	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M-H"	-1.007276
"526485"	644.315824	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M-H"	-1.007276
"902100"	214.100424	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-H"	-1.007276
"53193"	446.234671	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M-2H+NH4"	16.019271
"491661"	661.342371	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M-2H+NH4"	16.019271
"869462"	231.126971	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-2H+NH4"	16.019271
"42831"	451.190066	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M-2H+Na"	20.974666
"480205"	666.297766	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M-2H+Na"	20.974666
"854727"	236.082366	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-2H+Na"	20.974666
"1625356"	236.082366	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Na-2H"	20.974666
"102977"	232.088763	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M-H+Cl"	33.962126
"541445"	339.642613	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M-H+Cl"	33.962126
"936052"	124.534913	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-H+Cl"	33.962126
"281415"	465.184802	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+Cl"	34.969402
"668124"	680.292502	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+Cl"	34.969402
"1288192"	250.077102	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Cl"	34.969402
"29285"	467.164006	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M-2H+K"	36.948606
"470911"	682.271706	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M-2H+K"	36.948606
"842636"	252.056306	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-2H+K"	36.948606
"1566130"	252.056306	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+K-2H"	36.948606
"947452"	260.105894	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-H+HCOOH"	44.998194
"364573"	475.213601	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+HCOOH-H"	44.998201
"358298"	489.229251	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+Hac-H"	59.013851
"1502756"	274.121551	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Hac-H"	59.013851
"968111"	282.087851	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-H+NaCOOH"	66.980151
"118114"	250.077102	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+2Cl"	69.938804
"555488"	357.630952	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+2Cl"	69.938804
"1026472"	142.523252	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2Cl"	69.938804
"1246052"	294.026585	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Br"	78.918885
"1306678"	296.082572	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Cl+HCOOH"	80.974872
"1322719"	318.064529	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Cl+NaCOOH"	102.956829
"913777"	328.093286	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M-H+CF3COOH"	112.985586
"1289754"	364.069964	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Cl+CF3COOH"	148.962264
"1369740"	180.095024	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H-2H2O"	-35.012676
"1386141"	198.105	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H-H2O"	-17.0027
"284737"	431.222676	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+H"	1.007276
"678252"	646.330376	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+H"	1.007276
"1358974"	216.114976	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H"	1.007276
"136236"	216.114976	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+2H"	2.014552
"574703"	323.668826	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+2H"	2.014552
"1045689"	108.561126	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2H"	2.014552
"211404"	144.412409333333	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+3H"	3.021828
"649871"	216.114976	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+3H"	3.021828
"1170551"	72.7098426666667	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+3H"	3.021828
"429815"	448.249223	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+NH4"	18.033823
"794460"	663.356923	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+NH4"	18.033823
"1692981"	233.141523	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+NH4"	18.033823
"341263"	224.6282495	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+H+NH4"	19.041099
"732591"	332.1820995	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+H+NH4"	19.041099
"1487504"	117.0743995	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H+NH4"	19.041099
"403995"	453.204618	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+Na"	22.989218
"764988"	668.312318	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+Na"	22.989218
"1609806"	238.096918	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Na"	22.989218
"326406"	227.105947	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+H+Na"	23.996494
"708989"	334.659797	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+H+Na"	23.996494
"1469372"	119.552097	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H+Na"	23.996494
"1064804"	80.0371566666667	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2H+Na"	25.00377
"1265388"	248.141186	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+CH3OH+H"	33.033486
"386152"	469.178558	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+K"	38.963158
"750431"	684.286258	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+K"	38.963158
"1554672"	254.070858	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+K"	38.963158
"313674"	235.092917	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+H+K"	39.970434
"706950"	342.646767	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+H+K"	39.970434
"1460155"	127.539067	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H+K"	39.970434
"248877"	472.249226	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+ACN+H"	42.033826
"1224995"	257.141526	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+ACN+H"	42.033826
"1209647"	129.074401	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+ACN+2H"	43.041102
"199432"	475.18656	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+2Na-H"	44.97116
"638993"	690.29426	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+2Na-H"	44.97116
"1141403"	260.07886	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2Na-H"	44.97116
"181416"	238.096918	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+2Na"	45.978436
"619881"	345.650768	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+2Na"	45.978436
"1131100"	130.543068	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2Na"	45.978436
"1414008"	87.3644706666667	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H+2Na"	46.985712
"1445313"	262.120446	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H+HCOOH"	47.012746
"230913"	243.12994	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+3H2O+2H"	56.04448
"1523561"	276.17249	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+IsoProp+H"	61.06479
"423527"	246.083888	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+Na+K"	61.952376
"785374"	353.637738	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+Na+K"	61.952376
"1680374"	138.530038	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Na+K"	61.952376
"266281"	494.231168	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+ACN+Na"	64.015768
"1238507"	279.123468	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+ACN+Na"	64.015768
"1725570"	279.146993	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+NH4+HCOOH"	64.039293
"1190934"	94.6917846666667	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+3Na"	68.967654
"1663375"	284.102388	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Na+HCOOH"	68.994688
"167323"	507.13444	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+2K-H"	76.91904
"603601"	722.24214	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+2K-H"	76.91904
"1086047"	292.02674	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2K-H"	76.91904
"146022"	254.070858	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"2M+2K"	77.926316
"582786"	361.624708	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"3M+2K"	77.926316
"1069118"	146.517008	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2K"	77.926316
"1105489"	294.041292	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2K+H"	78.933592
"1340781"	294.128907	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+DMSO+H"	79.021207
"1006023"	298.168076	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2ACN+H"	83.060376
"1530718"	299.161708	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+IsoProp+Na+H"	84.054008
"999352"	149.587676	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+2ACN+2H"	84.067652
"1588753"	300.076328	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+K+HCOOH"	84.968628
"1415504"	330.107838	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+H+CF3COOH"	115.000138
"1155277"	170.100951	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+3ACN+2H"	125.094202
"1708110"	347.134385	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+NH4+CF3COOH"	132.026685
"1641574"	352.08978	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+Na+CF3COOH"	136.98208
"1576132"	368.06372	"C13639"	"dl-Methylephedrine hydrochloride"	"C11H17NOHCl"	"215.1077"	"M+K+CF3COOH"	152.95602
"806497"	79.9262	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M"	0
"988416"	60.90781	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-H2O-H"	-19.01839
"72647"	52.2768573333333	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M-3H"	-3.021828
"513307"	78.918924	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M-3H"	-3.021828
"888922"	25.6347906666667	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-3H"	-3.021828
"15400"	78.918924	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M-2H"	-2.014552
"454587"	118.882024	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M-2H"	-2.014552
"831416"	38.955824	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-2H"	-2.014552
"82658"	158.845124	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M-H"	-1.007276
"523313"	238.771324	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M-H"	-1.007276
"902205"	78.918924	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-H"	-1.007276
"51115"	175.871671	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M-2H+NH4"	16.019271
"491768"	255.797871	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M-2H+NH4"	16.019271
"868476"	95.945471	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-2H+NH4"	16.019271
"34190"	180.827066	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M-2H+Na"	20.974666
"477035"	260.753266	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M-2H+Na"	20.974666
"854837"	100.900866	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-2H+Na"	20.974666
"1622914"	100.900866	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Na-2H"	20.974666
"99805"	96.907263	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M-H+Cl"	33.962126
"543740"	136.870363	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M-H+Cl"	33.962126
"932882"	56.944163	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-H+Cl"	33.962126
"281040"	194.821802	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+Cl"	34.969402
"667141"	274.748002	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+Cl"	34.969402
"1285745"	114.895602	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Cl"	34.969402
"28302"	196.801006	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M-2H+K"	36.948606
"470049"	276.727206	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M-2H+K"	36.948606
"844932"	116.874806	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-2H+K"	36.948606
"1566240"	116.874806	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+K-2H"	36.948606
"950842"	124.924394	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-H+HCOOH"	44.998194
"366870"	204.850601	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+HCOOH-H"	44.998201
"358044"	218.866251	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+Hac-H"	59.013851
"1502866"	138.940051	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Hac-H"	59.013851
"968221"	146.906351	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-H+NaCOOH"	66.980151
"116035"	114.895602	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+2Cl"	69.938804
"555598"	154.858702	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+2Cl"	69.938804
"1026583"	74.932502	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2Cl"	69.938804
"1243974"	158.845085	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Br"	78.918885
"1306424"	160.901072	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Cl+HCOOH"	80.974872
"1322098"	182.883029	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Cl+NaCOOH"	102.956829
"913887"	192.911786	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M-H+CF3COOH"	112.985586
"1288544"	228.888464	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Cl+CF3COOH"	148.962264
"1368028"	44.913524	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H-2H2O"	-35.012676
"1386252"	62.9235	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H-H2O"	-17.0027
"285941"	160.859676	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+H"	1.007276
"680549"	240.785876	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+H"	1.007276
"1359084"	80.933476	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H"	1.007276
"134159"	80.933476	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+2H"	2.014552
"575906"	120.896576	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+2H"	2.014552
"1044706"	40.970376	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2H"	2.014552
"211514"	54.2914093333333	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+3H"	3.021828
"648159"	80.933476	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+3H"	3.021828
"1171389"	27.6493426666667	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+3H"	3.021828
"430288"	177.886223	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+NH4"	18.033823
"796756"	257.812423	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+NH4"	18.033823
"1692727"	97.960023	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+NH4"	18.033823
"340277"	89.4467495	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+H+NH4"	19.041099
"731608"	129.4098495	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+H+NH4"	19.041099
"1487615"	49.4836495	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H+NH4"	19.041099
"404105"	182.841618	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+Na"	22.989218
"766191"	262.767818	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+Na"	22.989218
"1613195"	102.915418	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Na"	22.989218
"324329"	91.924447	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+H+Na"	23.996494
"707234"	131.887547	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+H+Na"	23.996494
"1467295"	51.961347	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H+Na"	23.996494
"1061634"	34.9766566666667	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2H+Na"	25.00377
"1264406"	112.959686	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+CH3OH+H"	33.033486
"384076"	198.815558	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+K"	38.963158
"743978"	278.741758	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+K"	38.963158
"1555270"	118.889358	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+K"	38.963158
"309769"	99.911417	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+H+K"	39.970434
"706921"	139.874517	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+H+K"	39.970434
"1460022"	59.948317	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H+K"	39.970434
"248987"	201.886226	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+ACN+H"	42.033826
"1224372"	121.960026	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+ACN+H"	42.033826
"1209716"	61.483651	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+ACN+2H"	43.041102
"198450"	204.82356	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+2Na-H"	44.97116
"634730"	284.74976	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+2Na-H"	44.97116
"1140420"	124.89736	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2Na-H"	44.97116
"178246"	102.915418	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+2Na"	45.978436
"618898"	142.878518	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+2Na"	45.978436
"1130065"	62.952318	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2Na"	45.978436
"1413468"	42.3039706666667	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H+2Na"	46.985712
"1444249"	126.938946	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H+HCOOH"	47.012746
"232116"	107.94844	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+3H2O+2H"	56.04448
"1523470"	140.99099	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+IsoProp+H"	61.06479
"423887"	110.902388	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+Na+K"	61.952376
"784881"	150.865488	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+Na+K"	61.952376
"1679757"	70.939288	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Na+K"	61.952376
"265542"	223.868168	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+ACN+Na"	64.015768
"1238982"	143.941968	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+ACN+Na"	64.015768
"1723492"	143.965493	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+NH4+HCOOH"	64.039293
"1191770"	49.6312846666667	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+3Na"	68.967654
"1662756"	148.920888	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Na+HCOOH"	68.994688
"168524"	236.77144	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+2K-H"	76.91904
"610270"	316.69764	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+2K-H"	76.91904
"1091503"	156.84524	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2K-H"	76.91904
"146133"	118.889358	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"2M+2K"	77.926316
"587879"	158.852458	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"3M+2K"	77.926316
"1068630"	78.926258	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2K"	77.926316
"1102319"	158.859792	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2K+H"	78.933592
"1339798"	158.947407	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+DMSO+H"	79.021207
"1006381"	162.986576	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2ACN+H"	83.060376
"1529735"	163.980208	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+IsoProp+Na+H"	84.054008
"1000555"	81.996926	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+2ACN+2H"	84.067652
"1588863"	164.894828	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+K+HCOOH"	84.968628
"1415980"	194.926338	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+H+CF3COOH"	115.000138
"1155387"	102.510201	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+3ACN+2H"	125.094202
"1707127"	211.952885	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+NH4+CF3COOH"	132.026685
"1641684"	216.90828	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+Na+CF3COOH"	136.98208
"1576242"	232.88222	"C13645"	"Hydrobromic acid;HBr"	"HBr"	"79.9262"	"M+K+CF3COOH"	152.95602
"806607"	211.0625	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M"	0
"988890"	192.04411	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-H2O-H"	-19.01839
"72757"	139.701057333333	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M-3H"	-3.021828
"513417"	210.055224	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M-3H"	-3.021828
"885752"	69.3468906666667	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-3H"	-3.021828
"15147"	210.055224	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M-2H"	-2.014552
"452631"	315.586474	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M-2H"	-2.014552
"830431"	104.523974	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-2H"	-2.014552
"82039"	421.117724	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M-H"	-1.007276
"523422"	632.180224	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M-H"	-1.007276
"900129"	210.055224	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-H"	-1.007276
"49401"	438.144271	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M-2H+NH4"	16.019271
"489082"	649.206771	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M-2H+NH4"	16.019271
"866520"	227.081771	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-2H+NH4"	16.019271
"34300"	443.099666	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M-2H+Na"	20.974666
"477145"	654.162166	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M-2H+Na"	20.974666
"853124"	232.037166	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-2H+Na"	20.974666
"1623024"	232.037166	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Na-2H"	20.974666
"98822"	228.043563	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M-H+Cl"	33.962126
"540570"	333.574813	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M-H+Cl"	33.962126
"932992"	122.512313	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-H+Cl"	33.962126
"280298"	457.094402	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+Cl"	34.969402
"667251"	668.156902	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+Cl"	34.969402
"1284033"	246.031902	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Cl"	34.969402
"25496"	459.073606	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M-2H+K"	36.948606
"467240"	670.136106	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M-2H+K"	36.948606
"845045"	248.011106	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-2H+K"	36.948606
"1566350"	248.011106	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+K-2H"	36.948606
"947672"	256.060694	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-H+HCOOH"	44.998194
"366980"	467.123201	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+HCOOH-H"	44.998201
"358518"	481.138851	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+Hac-H"	59.013851
"1496415"	270.076351	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Hac-H"	59.013851
"968331"	278.042651	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-H+NaCOOH"	66.980151
"113958"	246.031902	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+2Cl"	69.938804
"552426"	351.563152	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+2Cl"	69.938804
"1025599"	140.500652	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2Cl"	69.938804
"1244084"	289.981385	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Br"	78.918885
"1306168"	292.037372	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Cl+HCOOH"	80.974872
"1322208"	314.019329	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Cl+NaCOOH"	102.956829
"912904"	324.048086	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M-H+CF3COOH"	112.985586
"1288636"	360.024764	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Cl+CF3COOH"	148.962264
"1368868"	176.049824	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H-2H2O"	-35.012676
"1385269"	194.0598	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H-H2O"	-17.0027
"286051"	423.132276	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+H"	1.007276
"680659"	634.194776	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+H"	1.007276
"1361381"	212.069776	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H"	1.007276
"137549"	212.069776	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+2H"	2.014552
"577109"	317.601026	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+2H"	2.014552
"1044816"	106.538526	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2H"	2.014552
"211624"	141.715609333333	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+3H"	3.021828
"647539"	212.069776	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+3H"	3.021828
"1170405"	71.3614426666667	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+3H"	3.021828
"428941"	440.158823	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+NH4"	18.033823
"797959"	651.221323	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+NH4"	18.033823
"1693201"	229.096323	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+NH4"	18.033823
"341480"	220.5830495	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+H+NH4"	19.041099
"732813"	326.1142995	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+H+NH4"	19.041099
"1487725"	115.0517995	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H+NH4"	19.041099
"406037"	445.114218	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+Na"	22.989218
"765208"	656.176718	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+Na"	22.989218
"1613304"	234.051718	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Na"	22.989218
"327719"	223.060747	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+H+Na"	23.996494
"711395"	328.591997	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+H+Na"	23.996494
"1464125"	117.529497	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H+Na"	23.996494
"1059558"	78.6887566666667	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2H+Na"	25.00377
"1264516"	244.095986	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+CH3OH+H"	33.033486
"386373"	461.088158	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+K"	38.963158
"742995"	672.150658	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+K"	38.963158
"1553074"	250.025658	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+K"	38.963158
"312795"	231.047717	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+H+K"	39.970434
"704126"	336.578967	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+H+K"	39.970434
"1459650"	125.516467	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H+K"	39.970434
"249465"	464.158826	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+ACN+H"	42.033826
"1223267"	253.096326	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+ACN+H"	42.033826
"1208974"	127.051801	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+ACN+2H"	43.041102
"198559"	467.09616	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+2Na-H"	44.97116
"635933"	678.15866	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+2Na-H"	44.97116
"1142718"	256.03366	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2Na-H"	44.97116
"179449"	234.051718	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+2Na"	45.978436
"616822"	339.582968	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+2Na"	45.978436
"1129689"	128.520468	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2Na"	45.978436
"1412851"	86.0160706666667	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H+2Na"	46.985712
"1443262"	258.075246	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H+HCOOH"	47.012746
"228946"	239.08474	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+3H2O+2H"	56.04448
"1523462"	272.12729	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+IsoProp+H"	61.06479
"423265"	242.038688	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+Na+K"	61.952376
"784625"	347.569938	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+Na+K"	61.952376
"1679502"	136.507438	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Na+K"	61.952376
"265652"	486.140768	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+ACN+Na"	64.015768
"1239455"	275.078268	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+ACN+Na"	64.015768
"1725058"	275.101793	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+NH4+HCOOH"	64.039293
"1190787"	93.3433846666667	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+3Na"	68.967654
"1661773"	280.057188	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Na+HCOOH"	68.994688
"168634"	499.04404	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+2K-H"	76.91904
"608194"	710.10654	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+2K-H"	76.91904
"1091613"	287.98154	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2K-H"	76.91904
"145513"	250.025658	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"2M+2K"	77.926316
"587988"	355.556908	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"3M+2K"	77.926316
"1069220"	144.494408	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2K"	77.926316
"1100079"	289.996092	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2K+H"	78.933592
"1344281"	290.083707	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+DMSO+H"	79.021207
"1008438"	294.122876	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2ACN+H"	83.060376
"1530939"	295.116508	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+IsoProp+Na+H"	84.054008
"995198"	147.565076	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+2ACN+2H"	84.067652
"1588973"	296.031128	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+K+HCOOH"	84.968628
"1415726"	326.062638	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+H+CF3COOH"	115.000138
"1155497"	168.078351	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+3ACN+2H"	125.094202
"1709423"	343.089185	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+NH4+CF3COOH"	132.026685
"1645074"	348.04458	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+Na+CF3COOH"	136.98208
"1576352"	364.01852	"C13646"	"m-Chlorophenylbiguanide;mCPBG;1-(3-Chlorophenyl)biguanide"	"C8H10ClN5"	"211.0625"	"M+K+CF3COOH"	152.95602
"813278"	175.1109	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M"	0
"987909"	156.09251	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-H2O-H"	-19.01839
"77932"	115.733324	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M-3H"	-3.021828
"517780"	174.103624	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M-3H"	-3.021828
"884768"	57.363024	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-3H"	-3.021828
"15576"	174.103624	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M-2H"	-2.014552
"452743"	261.659074	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M-2H"	-2.014552
"830299"	86.548174	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-2H"	-2.014552
"83972"	349.214524	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M-H"	-1.007276
"525717"	524.325424	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M-H"	-1.007276
"899511"	174.103624	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-H"	-1.007276
"53521"	366.241071	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M-2H+NH4"	16.019271
"494175"	541.351971	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M-2H+NH4"	16.019271
"869789"	191.130171	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-2H+NH4"	16.019271
"34410"	371.196466	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M-2H+Na"	20.974666
"477255"	546.307366	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M-2H+Na"	20.974666
"855057"	196.085566	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-2H+Na"	20.974666
"1625686"	196.085566	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Na-2H"	20.974666
"100026"	192.091963	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M-H+Cl"	33.962126
"542867"	279.647413	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M-H+Cl"	33.962126
"936382"	104.536513	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-H+Cl"	33.962126
"279315"	385.191202	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+Cl"	34.969402
"668454"	560.302102	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+Cl"	34.969402
"1286330"	210.080302	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Cl"	34.969402
"24512"	387.170406	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M-2H+K"	36.948606
"466256"	562.281306	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M-2H+K"	36.948606
"844060"	212.059506	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-2H+K"	36.948606
"1567190"	212.059506	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+K-2H"	36.948606
"951062"	220.109094	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-H+HCOOH"	44.998194
"367090"	395.220001	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+HCOOH-H"	44.998201
"357172"	409.235651	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+Hac-H"	59.013851
"1496525"	234.124751	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Hac-H"	59.013851
"970264"	242.091051	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-H+NaCOOH"	66.980151
"118442"	210.080302	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+2Cl"	69.938804
"561283"	297.635752	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+2Cl"	69.938804
"1026803"	122.524852	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2Cl"	69.938804
"1246381"	254.029785	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Br"	78.918885
"1305550"	256.085772	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Cl+HCOOH"	80.974872
"1323047"	278.067729	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Cl+NaCOOH"	102.956829
"913011"	288.096486	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M-H+CF3COOH"	112.985586
"1291906"	324.073164	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Cl+CF3COOH"	148.962264
"1368976"	140.098224	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H-2H2O"	-35.012676
"1387566"	158.1082	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H-H2O"	-17.0027
"285066"	351.229076	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+H"	1.007276
"679676"	526.339976	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+H"	1.007276
"1360398"	176.118176	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H"	1.007276
"135473"	176.118176	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+2H"	2.014552
"573940"	263.673626	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+2H"	2.014552
"1047112"	88.562726	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2H"	2.014552
"208453"	117.747876	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+3H"	3.021828
"652388"	176.118176	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+3H"	3.021828
"1166507"	59.377576	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+3H"	3.021828
"429051"	368.255623	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+NH4"	18.033823
"798069"	543.366523	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+NH4"	18.033823
"1694404"	193.144723	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+NH4"	18.033823
"341590"	184.6314495	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+H+NH4"	19.041099
"734744"	272.1868995	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+H+NH4"	19.041099
"1486742"	97.0759995	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H+NH4"	19.041099
"406147"	373.211018	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+Na"	22.989218
"765318"	548.321918	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+Na"	22.989218
"1614508"	198.100118	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Na"	22.989218
"327829"	187.109147	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+H+Na"	23.996494
"713693"	274.664597	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+H+Na"	23.996494
"1464235"	99.553697	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H+Na"	23.996494
"1060761"	66.70489	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2H+Na"	25.00377
"1265720"	208.144386	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+CH3OH+H"	33.033486
"386119"	389.184958	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+K"	38.963158
"749667"	564.295858	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+K"	38.963158
"1553913"	214.074058	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+K"	38.963158
"313271"	195.096117	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+H+K"	39.970434
"704600"	282.651567	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+H+K"	39.970434
"1460244"	107.540667	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H+K"	39.970434
"249936"	392.255626	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+ACN+H"	42.033826
"1224596"	217.144726	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+ACN+H"	42.033826
"1209327"	109.076001	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+ACN+2H"	43.041102
"202802"	395.19296	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+2Na-H"	44.97116
"640417"	570.30386	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+2Na-H"	44.97116
"1141733"	220.08206	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2Na-H"	44.97116
"178466"	198.100118	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+2Na"	45.978436
"616932"	285.655568	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+2Na"	45.978436
"1129676"	110.544668	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2Na"	45.978436
"1413776"	74.032204	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H+2Na"	46.985712
"1443980"	222.123646	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H+HCOOH"	47.012746
"231243"	203.13314	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+3H2O+2H"	56.04448
"1523087"	236.17569	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+IsoProp+H"	61.06479
"423736"	206.087088	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+Na+K"	61.952376
"784006"	293.642538	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+Na+K"	61.952376
"1679856"	118.531638	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Na+K"	61.952376
"265765"	414.237568	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+ACN+Na"	64.015768
"1238474"	239.126668	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+ACN+Na"	64.015768
"1726264"	239.150193	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+NH4+HCOOH"	64.039293
"1190898"	81.359518	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+3Na"	68.967654
"1662976"	244.105588	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Na+HCOOH"	68.994688
"170569"	427.14084	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+2K-H"	76.91904
"608307"	602.25174	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+2K-H"	76.91904
"1091725"	252.02994	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2K-H"	76.91904
"147444"	214.074058	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"2M+2K"	77.926316
"584821"	301.629508	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"3M+2K"	77.926316
"1070424"	126.518608	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2K"	77.926316
"1100351"	254.044492	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2K+H"	78.933592
"1338925"	254.132107	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+DMSO+H"	79.021207
"1014016"	258.171276	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2ACN+H"	83.060376
"1529954"	259.164908	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+IsoProp+Na+H"	84.054008
"998589"	129.589276	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+2ACN+2H"	84.067652
"1589812"	260.079528	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+K+HCOOH"	84.968628
"1415836"	290.111038	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+H+CF3COOH"	115.000138
"1152327"	150.102551	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+3ACN+2H"	125.094202
"1707346"	307.137585	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+NH4+CF3COOH"	132.026685
"1645184"	312.09298	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+Na+CF3COOH"	136.98208
"1586303"	328.06692	"C13650"	"Debrisoquin;Debrisoquine"	"C10H13N3"	"175.1109"	"M+K+CF3COOH"	152.95602
"806828"	371.0916	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M"	0
"988019"	352.07321	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-H2O-H"	-19.01839
"71890"	246.387124	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M-3H"	-3.021828
"512543"	370.084324	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M-3H"	-3.021828
"892531"	122.689924	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-3H"	-3.021828
"8919"	370.084324	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M-2H"	-2.014552
"450665"	555.630124	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M-2H"	-2.014552
"821905"	184.538524	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-2H"	-2.014552
"80075"	741.175924	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M-H"	-1.007276
"521092"	1112.267524	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M-H"	-1.007276
"898530"	370.084324	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-H"	-1.007276
"50352"	758.202471	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M-2H+NH4"	16.019271
"494285"	1129.294071	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M-2H+NH4"	16.019271
"870992"	387.110871	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-2H+NH4"	16.019271
"35254"	763.157866	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M-2H+Na"	20.974666
"477732"	1134.249466	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M-2H+Na"	20.974666
"855534"	392.066266	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-2H+Na"	20.974666
"1625796"	392.066266	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Na-2H"	20.974666
"101231"	388.072663	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M-H+Cl"	33.962126
"548448"	573.618463	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M-H+Cl"	33.962126
"942571"	202.526863	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-H+Cl"	33.962126
"277239"	777.152602	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+Cl"	34.969402
"671849"	1148.244202	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+Cl"	34.969402
"1286439"	406.061002	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Cl"	34.969402
"25714"	779.131806	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M-2H+K"	36.948606
"466366"	1150.223406	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M-2H+K"	36.948606
"845271"	408.040206	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-2H+K"	36.948606
"1568758"	408.040206	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+K-2H"	36.948606
"951174"	416.089794	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-H+HCOOH"	44.998194
"368293"	787.181401	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+HCOOH-H"	44.998201
"353270"	801.197051	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+Hac-H"	59.013851
"1501008"	430.105451	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Hac-H"	59.013851
"969647"	438.071751	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-H+NaCOOH"	66.980151
"120377"	406.061002	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+2Cl"	69.938804
"559210"	591.606802	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+2Cl"	69.938804
"1027278"	220.515202	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2Cl"	69.938804
"1247591"	450.010485	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Br"	78.918885
"1311132"	452.066472	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Cl+HCOOH"	80.974872
"1324255"	474.048429	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Cl+NaCOOH"	102.956829
"915310"	484.077186	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M-H+CF3COOH"	112.985586
"1291289"	520.053864	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Cl+CF3COOH"	148.962264
"1371276"	336.078924	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H-2H2O"	-35.012676
"1390959"	354.0889	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H-H2O"	-17.0027
"290646"	743.190476	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+H"	1.007276
"681973"	1114.282076	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+H"	1.007276
"1361601"	372.098876	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H"	1.007276
"130482"	372.098876	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+2H"	2.014552
"569313"	557.644676	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+2H"	2.014552
"1040299"	186.553076	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2H"	2.014552
"206375"	248.401676	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+3H"	3.021828
"651774"	372.098876	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+3H"	3.021828
"1172818"	124.704476	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+3H"	3.021828
"439015"	760.217023	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+NH4"	18.033823
"792715"	1131.308623	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+NH4"	18.033823
"1693786"	389.125423	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+NH4"	18.033823
"342429"	380.6121495	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+H+NH4"	19.041099
"733763"	566.1579495	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+H+NH4"	19.041099
"1486853"	195.0663495	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H+NH4"	19.041099
"403342"	765.172418	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+Na"	22.989218
"767256"	1136.264018	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+Na"	22.989218
"1614627"	394.080818	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Na"	22.989218
"322475"	383.089847	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+H+Na"	23.996494
"711619"	568.635647	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+H+Na"	23.996494
"1468722"	197.544047	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H+Na"	23.996494
"1058685"	132.03179	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2H+Na"	25.00377
"1263648"	404.125086	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+CH3OH+H"	33.033486
"384407"	781.146358	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+K"	38.963158
"748685"	1152.237958	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+K"	38.963158
"1550737"	410.054758	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+K"	38.963158
"309009"	391.076817	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+H+K"	39.970434
"702523"	576.622617	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+H+K"	39.970434
"1459623"	205.531017	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H+K"	39.970434
"247130"	784.217026	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+ACN+H"	42.033826
"1224578"	413.125426	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+ACN+H"	42.033826
"1208708"	207.066351	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+ACN+2H"	43.041102
"203846"	787.15436	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+2Na-H"	44.97116
"635060"	1158.24596	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+2Na-H"	44.97116
"1146599"	416.06276	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2Na-H"	44.97116
"187814"	394.080818	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+2Na"	45.978436
"627508"	579.626618	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+2Na"	45.978436
"1130402"	208.535018	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2Na"	45.978436
"1411729"	139.359104	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H+2Na"	46.985712
"1440565"	418.104346	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H+HCOOH"	47.012746
"234889"	399.11384	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+3H2O+2H"	56.04448
"1522701"	432.15639	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+IsoProp+H"	61.06479
"424059"	402.067788	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+Na+K"	61.952376
"783633"	587.613588	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+Na+K"	61.952376
"1680937"	216.521988	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Na+K"	61.952376
"265270"	806.198968	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+ACN+Na"	64.015768
"1239312"	435.107368	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+ACN+Na"	64.015768
"1726744"	435.130893	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+NH4+HCOOH"	64.039293
"1193072"	146.686418	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+3Na"	68.967654
"1663086"	440.086288	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Na+HCOOH"	68.994688
"170798"	819.10224	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+2K-H"	76.91904
"608413"	1190.19384	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+2K-H"	76.91904
"1090739"	448.01064	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2K-H"	76.91904
"145369"	410.054758	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"2M+2K"	77.926316
"588212"	595.600558	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"3M+2K"	77.926316
"1078188"	224.508958	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2K"	77.926316
"1100334"	450.025192	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2K+H"	78.933592
"1349486"	450.112807	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+DMSO+H"	79.021207
"1014129"	454.151976	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2ACN+H"	83.060376
"1532252"	455.145608	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+IsoProp+Na+H"	84.054008
"991164"	227.579626	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+2ACN+2H"	84.067652
"1587973"	456.060228	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+K+HCOOH"	84.968628
"1415944"	486.091738	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+H+CF3COOH"	115.000138
"1148424"	248.092901	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+3ACN+2H"	125.094202
"1704175"	503.118285	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+NH4+CF3COOH"	132.026685
"1638734"	508.07368	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+Na+CF3COOH"	136.98208
"1576573"	524.04762	"C13652"	"Ampicillin sodium"	"C16H18N3O4SNa"	"371.0916"	"M+K+CF3COOH"	152.95602
"816842"	642.3072	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M"	0
"989225"	623.28881	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-H2O-H"	-19.01839
"76374"	427.197524	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M-3H"	-3.021828
"515934"	641.299924	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M-3H"	-3.021828
"891549"	213.095124	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-3H"	-3.021828
"7936"	641.299924	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M-2H"	-2.014552
"450775"	962.453524	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M-2H"	-2.014552
"824203"	320.146324	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-2H"	-2.014552
"85289"	1283.607124	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M-H"	-1.007276
"523755"	1925.914324	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M-H"	-1.007276
"899733"	641.299924	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-H"	-1.007276
"53742"	1300.633671	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M-2H+NH4"	16.019271
"497310"	1942.940871	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M-2H+NH4"	16.019271
"871102"	658.326471	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-2H+NH4"	16.019271
"35729"	1305.589066	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M-2H+Na"	20.974666
"480758"	1947.896266	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M-2H+Na"	20.974666
"855644"	663.281866	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-2H+Na"	20.974666
"1625906"	663.281866	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Na-2H"	20.974666
"96966"	659.288263	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M-H+Cl"	33.962126
"549287"	980.441863	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M-H+Cl"	33.962126
"942688"	338.134663	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-H+Cl"	33.962126
"279537"	1319.583802	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+Cl"	34.969402
"674754"	1961.891002	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+Cl"	34.969402
"1286185"	677.276602	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Cl"	34.969402
"28011"	1321.563006	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M-2H+K"	36.948606
"465383"	1963.870206	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M-2H+K"	36.948606
"843192"	679.255806	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-2H+K"	36.948606
"1569961"	679.255806	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+K-2H"	36.948606
"954565"	687.305394	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-H+HCOOH"	44.998194
"370591"	1329.612601	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+HCOOH-H"	44.998201
"352287"	1343.628251	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+Hac-H"	59.013851
"1498931"	701.321051	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Hac-H"	59.013851
"968664"	709.287351	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-H+NaCOOH"	66.980151
"118664"	677.276602	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+2Cl"	69.938804
"558227"	998.430202	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+2Cl"	69.938804
"1028118"	356.123002	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2Cl"	69.938804
"1249882"	721.226085	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Br"	78.918885
"1311242"	723.282072	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Cl+HCOOH"	80.974872
"1323269"	745.264029	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Cl+NaCOOH"	102.956829
"916877"	755.292786	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M-H+CF3COOH"	112.985586
"1293585"	791.269464	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Cl+CF3COOH"	148.962264
"1370657"	607.294524	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H-2H2O"	-35.012676
"1389976"	625.3045	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H-H2O"	-17.0027
"291850"	1285.621676	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+H"	1.007276
"682083"	1927.928876	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+H"	1.007276
"1361711"	643.314476	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H"	1.007276
"134601"	643.314476	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+2H"	2.014552
"571973"	964.468076	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+2H"	2.014552
"1047336"	322.160876	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2H"	2.014552
"207946"	429.212076	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+3H"	3.021828
"653707"	643.314476	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+3H"	3.021828
"1174021"	215.109676	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+3H"	3.021828
"439487"	1302.648223	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+NH4"	18.033823
"797198"	1944.955423	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+NH4"	18.033823
"1696408"	660.341023	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+NH4"	18.033823
"342539"	651.8277495	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+H+NH4"	19.041099
"736061"	972.9813495	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+H+NH4"	19.041099
"1489149"	330.6741495	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H+NH4"	19.041099
"406731"	1307.603618	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+Na"	22.989218
"768822"	1949.910818	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+Na"	22.989218
"1616561"	665.296418	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Na"	22.989218
"322585"	654.305447	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+H+Na"	23.996494
"717196"	975.459047	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+H+Na"	23.996494
"1469926"	333.151847	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H+Na"	23.996494
"1062075"	222.43699	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2H+Na"	25.00377
"1262664"	675.340686	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+CH3OH+H"	33.033486
"383424"	1323.577558	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+K"	38.963158
"746607"	1965.884758	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+K"	38.963158
"1553035"	681.270358	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+K"	38.963158
"311304"	662.292417	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+H+K"	39.970434
"702634"	983.446017	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+H+K"	39.970434
"1459735"	341.138817	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H+K"	39.970434
"251377"	1326.648226	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+ACN+H"	42.033826
"1224325"	684.341026	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+ACN+H"	42.033826
"1207845"	342.674151	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+ACN+2H"	43.041102
"201079"	1329.58556	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+2Na-H"	44.97116
"635170"	1971.89276	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+2Na-H"	44.97116
"1146970"	687.27836	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2Na-H"	44.97116
"188043"	665.296418	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+2Na"	45.978436
"628348"	986.450018	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+2Na"	45.978436
"1131283"	344.142818	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2Na"	45.978436
"1411839"	229.764304	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H+2Na"	46.985712
"1440675"	689.319946	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H+HCOOH"	47.012746
"235482"	670.32944	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+3H2O+2H"	56.04448
"1523868"	703.37199	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+IsoProp+H"	61.06479
"423592"	673.283388	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+Na+K"	61.952376
"784584"	994.436988	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+Na+K"	61.952376
"1680555"	352.129788	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Na+K"	61.952376
"265621"	1348.630168	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+ACN+Na"	64.015768
"1239422"	706.322968	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+ACN+Na"	64.015768
"1727827"	706.346493	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+NH4+HCOOH"	64.039293
"1192211"	237.091618	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+3Na"	68.967654
"1664292"	711.301888	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Na+HCOOH"	68.994688
"172005"	1361.53344	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+2K-H"	76.91904
"605245"	2003.84064	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+2K-H"	76.91904
"1091943"	719.22624	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2K-H"	76.91904
"150946"	681.270358	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"2M+2K"	77.926316
"587226"	1002.423958	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"3M+2K"	77.926316
"1071738"	360.116758	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2K"	77.926316
"1101911"	721.240792	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2K+H"	78.933592
"1341334"	721.328407	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+DMSO+H"	79.021207
"1009862"	725.367576	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2ACN+H"	83.060376
"1527259"	726.361208	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+IsoProp+Na+H"	84.054008
"992248"	363.187426	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+2ACN+2H"	84.067652
"1592219"	727.275828	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+K+HCOOH"	84.968628
"1418972"	757.307338	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+H+CF3COOH"	115.000138
"1152546"	383.700701	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+3ACN+2H"	125.094202
"1708660"	774.333885	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+NH4+CF3COOH"	132.026685
"1635564"	779.28928	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+Na+CF3COOH"	136.98208
"1576683"	795.26322	"C13660"	"Piperazine citrate"	"(C6H8O7)2(C4H10N2)3"	"642.3072"	"M+K+CF3COOH"	152.95602
"807048"	1083.4379	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M"	0
"987145"	1064.41951	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-H2O-H"	-19.01839
"75391"	721.284657333333	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M-3H"	-3.021828
"515680"	1082.430624	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M-3H"	-3.021828
"891658"	360.138690666667	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-3H"	-3.021828
"10233"	1082.430624	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M-2H"	-2.014552
"454895"	1624.149574	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M-2H"	-2.014552
"825406"	540.711674	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-2H"	-2.014552
"85399"	2165.868524	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M-H"	-1.007276
"524958"	3249.306424	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M-H"	-1.007276
"901666"	1082.430624	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-H"	-1.007276
"53852"	2182.895071	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M-2H+NH4"	16.019271
"496692"	3266.332971	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M-2H+NH4"	16.019271
"871212"	1099.457171	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-2H+NH4"	16.019271
"34743"	2187.850466	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M-2H+Na"	20.974666
"478682"	3271.288366	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M-2H+Na"	20.974666
"855389"	1104.412566	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-2H+Na"	20.974666
"1623100"	1104.412566	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Na-2H"	20.974666
"96712"	1100.418963	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M-H+Cl"	33.962126
"547575"	1642.137913	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M-H+Cl"	33.962126
"942690"	558.700013	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-H+Cl"	33.962126
"277460"	2201.845202	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+Cl"	34.969402
"668788"	3285.283102	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+Cl"	34.969402
"1284471"	1118.407302	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Cl"	34.969402
"29214"	2203.824406	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M-2H+K"	36.948606
"465493"	3287.262306	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M-2H+K"	36.948606
"846583"	1120.386506	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-2H+K"	36.948606
"1566789"	1120.386506	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+K-2H"	36.948606
"951391"	1128.436094	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-H+HCOOH"	44.998194
"368511"	2211.874001	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+HCOOH-H"	44.998201
"350208"	2225.889651	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+Hac-H"	59.013851
"1496855"	1142.451751	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Hac-H"	59.013851
"966587"	1150.418051	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-H+NaCOOH"	66.980151
"118774"	1118.407302	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+2Cl"	69.938804
"556150"	1660.126252	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+2Cl"	69.938804
"1024947"	576.688352	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2Cl"	69.938804
"1244524"	1162.356785	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Br"	78.918885
"1304546"	1164.412772	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Cl+HCOOH"	80.974872
"1320827"	1186.394729	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Cl+NaCOOH"	102.956829
"912373"	1196.423486	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M-H+CF3COOH"	112.985586
"1289036"	1232.400164	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Cl+CF3COOH"	148.962264
"1369310"	1048.425224	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H-2H2O"	-35.012676
"1388993"	1066.4352	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H-H2O"	-17.0027
"287585"	2167.883076	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+H"	1.007276
"682195"	3251.320976	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+H"	1.007276
"1357448"	1084.445176	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H"	1.007276
"129247"	1084.445176	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+2H"	2.014552
"570989"	1626.164126	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+2H"	2.014552
"1045259"	542.726226	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2H"	2.014552
"206599"	723.299209333333	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+3H"	3.021828
"648712"	1084.445176	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+3H"	3.021828
"1168659"	362.153242666667	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+3H"	3.021828
"434122"	2184.909623	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+NH4"	18.033823
"796215"	3268.347523	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+NH4"	18.033823
"1695830"	1101.471723	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+NH4"	18.033823
"343017"	1092.9584495	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+H+NH4"	19.041099
"732161"	1634.6773995	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+H+NH4"	19.041099
"1487073"	551.2394995	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H+NH4"	19.041099
"405748"	2189.865018	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+Na"	22.989218
"765289"	3273.302918	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+Na"	22.989218
"1613755"	1106.427118	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Na"	22.989218
"322693"	1095.436147	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+H+Na"	23.996494
"715114"	1637.155097	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+H+Na"	23.996494
"1465657"	553.717197	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H+Na"	23.996494
"1061089"	369.480556666667	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2H+Na"	25.00377
"1261677"	1116.471386	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+CH3OH+H"	33.033486
"383531"	2205.838958	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+K"	38.963158
"740154"	3289.276858	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+K"	38.963158
"1549861"	1122.401058	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+K"	38.963158
"309226"	1103.423117	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+H+K"	39.970434
"704564"	1645.142067	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+H+K"	39.970434
"1457655"	561.704167	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H+K"	39.970434
"246986"	2208.909626	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+ACN+H"	42.033826
"1221882"	1125.471726	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+ACN+H"	42.033826
"1207226"	563.239501	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+ACN+2H"	43.041102
"201189"	2211.84696	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+2Na-H"	44.97116
"637467"	3295.28486	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+2Na-H"	44.97116
"1146529"	1128.40906	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2Na-H"	44.97116
"188235"	1106.427118	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+2Na"	45.978436
"627842"	1648.146068	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+2Na"	45.978436
"1130981"	564.708168	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2Na"	45.978436
"1411949"	376.807870666667	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H+2Na"	46.985712
"1438598"	1130.450646	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H+HCOOH"	47.012746
"235572"	1111.46014	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+3H2O+2H"	56.04448
"1521467"	1144.50269	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+IsoProp+H"	61.06479
"421516"	1114.414088	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+Na+K"	61.952376
"784694"	1656.133038	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+Na+K"	61.952376
"1680665"	572.695138	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Na+K"	61.952376
"265000"	2230.891568	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+ACN+Na"	64.015768
"1239896"	1147.453668	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+ACN+Na"	64.015768
"1726966"	1147.477193	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+NH4+HCOOH"	64.039293
"1193293"	384.135184666667	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+3Na"	68.967654
"1665134"	1152.432588	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Na+HCOOH"	68.994688
"172356"	2243.79484	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+2K-H"	76.91904
"612530"	3327.23274	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+2K-H"	76.91904
"1094240"	1160.35694	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2K-H"	76.91904
"151056"	1122.401058	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"2M+2K"	77.926316
"588430"	1664.120008	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"3M+2K"	77.926316
"1074036"	580.682108	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2K"	77.926316
"1103966"	1162.371492	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2K+H"	78.933592
"1344725"	1162.459107	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+DMSO+H"	79.021207
"1015440"	1166.498276	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2ACN+H"	83.060376
"1528099"	1167.491908	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+IsoProp+Na+H"	84.054008
"993454"	583.752776	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+2ACN+2H"	84.067652
"1590145"	1168.406528	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+K+HCOOH"	84.968628
"1420180"	1198.438038	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+H+CF3COOH"	115.000138
"1155938"	604.266051	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+3ACN+2H"	125.094202
"1709864"	1215.464585	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+NH4+CF3COOH"	132.026685
"1635674"	1220.41998	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+Na+CF3COOH"	136.98208
"1576793"	1236.39392	"C13662"	"Arg-vasopressin;Argipressin;8-L-Arginine vasopressin;AVP;ADH"	"C46H65N15O12S2"	"1083.4379"	"M+K+CF3COOH"	152.95602
"807158"	219.1497	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M"	0
"988835"	200.13131	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-H2O-H"	-19.01839
"75866"	145.092524	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M-3H"	-3.021828
"515062"	218.142424	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M-3H"	-3.021828
"891403"	72.042624	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-3H"	-3.021828
"8156"	218.142424	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M-2H"	-2.014552
"453306"	327.717274	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M-2H"	-2.014552
"826610"	108.567574	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-2H"	-2.014552
"85509"	437.292124	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M-H"	-1.007276
"523975"	656.441824	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M-H"	-1.007276
"905056"	218.142424	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-H"	-1.007276
"57242"	454.318671	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M-2H+NH4"	16.019271
"494615"	673.468371	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M-2H+NH4"	16.019271
"875697"	235.168971	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-2H+NH4"	16.019271
"35216"	459.274066	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M-2H+Na"	20.974666
"477698"	678.423766	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M-2H+Na"	20.974666
"855499"	240.124366	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-2H+Na"	20.974666
"1626126"	240.124366	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Na-2H"	20.974666
"99374"	236.130763	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M-H+Cl"	33.962126
"547685"	345.705613	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M-H+Cl"	33.962126
"942054"	126.555913	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-H+Cl"	33.962126
"276477"	473.268802	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+Cl"	34.969402
"667804"	692.418502	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+Cl"	34.969402
"1283488"	254.119102	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Cl"	34.969402
"26044"	475.248006	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M-2H+K"	36.948606
"462322"	694.397706	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M-2H+K"	36.948606
"839033"	256.098306	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-2H+K"	36.948606
"1563619"	256.098306	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+K-2H"	36.948606
"948221"	264.147894	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-H+HCOOH"	44.998194
"368622"	483.297601	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+HCOOH-H"	44.998201
"351411"	497.313251	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+Hac-H"	59.013851
"1496965"	278.163551	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Hac-H"	59.013851
"966697"	286.129851	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-H+NaCOOH"	66.980151
"117791"	254.119102	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+2Cl"	69.938804
"556260"	363.693952	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+2Cl"	69.938804
"1025057"	144.544252	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2Cl"	69.938804
"1244634"	298.068585	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Br"	78.918885
"1304534"	300.124572	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Cl+HCOOH"	80.974872
"1320207"	322.106529	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Cl+NaCOOH"	102.956829
"911910"	332.135286	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M-H+CF3COOH"	112.985586
"1289305"	368.111964	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Cl+CF3COOH"	148.962264
"1368327"	184.137024	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H-2H2O"	-35.012676
"1385823"	202.147	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H-H2O"	-17.0027
"287695"	439.306676	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+H"	1.007276
"680117"	658.456376	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+H"	1.007276
"1352091"	220.156976	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H"	1.007276
"131543"	220.156976	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+2H"	2.014552
"568184"	329.731826	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+2H"	2.014552
"1039898"	110.582126	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2H"	2.014552
"207073"	147.107076	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+3H"	3.021828
"648822"	220.156976	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+3H"	3.021828
"1167676"	74.057176	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+3H"	3.021828
"433138"	456.333223	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+NH4"	18.033823
"796321"	675.482923	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+NH4"	18.033823
"1690469"	237.183523	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+NH4"	18.033823
"340936"	228.6702495	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+H+NH4"	19.041099
"733364"	338.2450995	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+H+NH4"	19.041099
"1488279"	119.0953995	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H+NH4"	19.041099
"402580"	461.288618	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+Na"	22.989218
"765761"	680.438318	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+Na"	22.989218
"1613500"	242.138918	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Na"	22.989218
"324992"	231.147947	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+H+Na"	23.996494
"714133"	340.722797	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+H+Na"	23.996494
"1467954"	121.573097	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H+Na"	23.996494
"1063752"	81.38449	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2H+Na"	25.00377
"1263974"	252.183186	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+CH3OH+H"	33.033486
"388016"	477.262558	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+K"	38.963158
"741358"	696.412258	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+K"	38.963158
"1551429"	258.112858	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+K"	38.963158
"309336"	239.134917	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+H+K"	39.970434
"704310"	348.709767	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+H+K"	39.970434
"1459224"	129.560067	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H+K"	39.970434
"247460"	480.333226	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+ACN+H"	42.033826
"1222721"	261.183526	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+ACN+H"	42.033826
"1207702"	131.095401	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+ACN+2H"	43.041102
"200935"	483.27056	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+2Na-H"	44.97116
"638306"	702.42026	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+2Na-H"	44.97116
"1145949"	264.12086	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2Na-H"	44.97116
"187414"	242.138918	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+2Na"	45.978436
"627101"	351.713768	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+2Na"	45.978436
"1129268"	132.564068	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2Na"	45.978436
"1409871"	88.711804	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H+2Na"	46.985712
"1440895"	266.162446	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H+HCOOH"	47.012746
"234244"	247.17194	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+3H2O+2H"	56.04448
"1523725"	280.21449	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+IsoProp+H"	61.06479
"419077"	250.125888	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+Na+K"	61.952376
"782983"	359.700738	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+Na+K"	61.952376
"1677853"	140.551038	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Na+K"	61.952376
"263289"	502.315168	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+ACN+Na"	64.015768
"1238547"	283.165468	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+ACN+Na"	64.015768
"1728049"	283.188993	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+NH4+HCOOH"	64.039293
"1194167"	96.039118	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+3Na"	68.967654
"1665331"	288.144388	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Na+HCOOH"	68.994688
"170279"	515.21844	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+2K-H"	76.91904
"611665"	734.36814	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+2K-H"	76.91904
"1093258"	296.06874	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2K-H"	76.91904
"148982"	258.112858	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"2M+2K"	77.926316
"586354"	367.687708	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"3M+2K"	77.926316
"1071959"	148.538008	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2K"	77.926316
"1104438"	298.083292	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2K+H"	78.933592
"1343743"	298.170907	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+DMSO+H"	79.021207
"1016644"	302.210076	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2ACN+H"	83.060376
"1529302"	303.203708	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+IsoProp+Na+H"	84.054008
"993928"	151.608676	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+2ACN+2H"	84.067652
"1592441"	304.118328	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+K+HCOOH"	84.968628
"1421383"	334.149838	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+H+CF3COOH"	115.000138
"1157141"	172.121951	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+3ACN+2H"	125.094202
"1711067"	351.176385	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+NH4+CF3COOH"	132.026685
"1635784"	356.13178	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+Na+CF3COOH"	136.98208
"1576903"	372.10572	"C13664"	"Bufotenidine;NNN-Trimethylserotonin;5-HTQ"	"C13H19N2O"	"219.1497"	"M+K+CF3COOH"	152.95602
"807268"	190.1106	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M"	0
"989310"	171.09221	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-H2O-H"	-19.01839
"74883"	125.733124	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M-3H"	-3.021828
"514808"	189.103324	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M-3H"	-3.021828
"892606"	62.362924	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-3H"	-3.021828
"12640"	189.103324	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M-2H"	-2.014552
"453537"	284.158624	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M-2H"	-2.014552
"823440"	94.048024	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-2H"	-2.014552
"88899"	379.213924	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M-H"	-1.007276
"527365"	569.324524	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M-H"	-1.007276
"901886"	189.103324	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-H"	-1.007276
"57352"	396.240471	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M-2H+NH4"	16.019271
"494725"	586.351071	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M-2H+NH4"	16.019271
"875807"	206.129871	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-2H+NH4"	16.019271
"34232"	401.195866	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M-2H+Na"	20.974666
"478902"	591.306466	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M-2H+Na"	20.974666
"854516"	211.085266	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-2H+Na"	20.974666
"1623320"	211.085266	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Na-2H"	20.974666
"99484"	207.091663	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M-H+Cl"	33.962126
"547067"	302.146963	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M-H+Cl"	33.962126
"941921"	112.036363	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-H+Cl"	33.962126
"276586"	415.190602	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+Cl"	34.969402
"671195"	605.301202	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+Cl"	34.969402
"1284691"	225.080002	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Cl"	34.969402
"29922"	417.169806	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M-2H+K"	36.948606
"459152"	607.280406	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M-2H+K"	36.948606
"840236"	227.059206	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-2H+K"	36.948606
"1561542"	227.059206	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+K-2H"	36.948606
"951610"	235.108794	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-H+HCOOH"	44.998194
"367638"	425.219401	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+HCOOH-H"	44.998201
"352615"	439.235051	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+Hac-H"	59.013851
"1497074"	249.124451	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Hac-H"	59.013851
"963525"	257.090751	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-H+NaCOOH"	66.980151
"115714"	225.080002	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+2Cl"	69.938804
"552358"	320.135302	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+2Cl"	69.938804
"1022980"	130.024702	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2Cl"	69.938804
"1244744"	269.029485	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Br"	78.918885
"1304399"	271.085472	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Cl+HCOOH"	80.974872
"1320315"	293.067429	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Cl+NaCOOH"	102.956829
"911899"	303.096186	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M-H+CF3COOH"	112.985586
"1289012"	339.072864	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Cl+CF3COOH"	148.962264
"1368921"	155.097924	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H-2H2O"	-35.012676
"1384840"	173.1079	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H-H2O"	-17.0027
"288899"	381.228476	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+H"	1.007276
"681322"	571.339076	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+H"	1.007276
"1356575"	191.117876	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H"	1.007276
"130560"	191.117876	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+2H"	2.014552
"567564"	286.173176	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+2H"	2.014552
"1039642"	96.062576	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2H"	2.014552
"207911"	127.747676	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+3H"	3.021828
"648932"	191.117876	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+3H"	3.021828
"1167786"	64.377476	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+3H"	3.021828
"431062"	398.255023	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+NH4"	18.033823
"793152"	588.365623	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+NH4"	18.033823
"1687300"	208.144423	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+NH4"	18.033823
"339953"	199.6311495	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+H+NH4"	19.041099
"736389"	294.6864495	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+H+NH4"	19.041099
"1490212"	104.5758495	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H+NH4"	19.041099
"402690"	403.210418	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+Na"	22.989218
"766600"	593.321018	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+Na"	22.989218
"1615068"	213.099818	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Na"	22.989218
"325102"	202.108847	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+H+Na"	23.996494
"713150"	297.164147	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+H+Na"	23.996494
"1469890"	107.053547	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H+Na"	23.996494
"1063136"	71.70479	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2H+Na"	25.00377
"1265542"	223.144086	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+CH3OH+H"	33.033486
"388126"	419.184358	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+K"	38.963158
"745842"	609.294958	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+K"	38.963158
"1549717"	229.073758	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+K"	38.963158
"310541"	210.095817	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+H+K"	39.970434
"706122"	305.151117	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+H+K"	39.970434
"1458970"	115.040517	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H+K"	39.970434
"246478"	422.255026	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+ACN+H"	42.033826
"1222831"	232.144426	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+ACN+H"	42.033826
"1207083"	116.575851	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+ACN+2H"	43.041102
"202504"	425.19236	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+2Na-H"	44.97116
"637687"	615.30296	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+2Na-H"	44.97116
"1145817"	235.08176	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2Na-H"	44.97116
"186309"	213.099818	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+2Na"	45.978436
"626240"	308.155118	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+2Na"	45.978436
"1129014"	118.044518	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2Na"	45.978436
"1409981"	79.032104	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H+2Na"	46.985712
"1438818"	237.123346	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H+HCOOH"	47.012746
"232896"	218.13284	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+3H2O+2H"	56.04448
"1522417"	251.17539	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+IsoProp+H"	61.06479
"420280"	221.086788	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+Na+K"	61.952376
"782001"	316.142088	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+Na+K"	61.952376
"1677962"	126.031488	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Na+K"	61.952376
"264128"	444.236968	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+ACN+Na"	64.015768
"1240479"	254.126368	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+ACN+Na"	64.015768
"1724999"	254.149893	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+NH4+HCOOH"	64.039293
"1193838"	86.359418	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+3Na"	68.967654
"1664623"	259.105288	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Na+HCOOH"	68.994688
"170389"	457.14024	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+2K-H"	76.91904
"611043"	647.25084	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+2K-H"	76.91904
"1096651"	267.02964	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2K-H"	76.91904
"150183"	229.073758	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"2M+2K"	77.926316
"585370"	324.129058	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"3M+2K"	77.926316
"1072070"	134.018458	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2K"	77.926316
"1104185"	269.044192	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2K+H"	78.933592
"1342757"	269.131807	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+DMSO+H"	79.021207
"1014568"	273.170976	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2ACN+H"	83.060376
"1530506"	274.164608	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+IsoProp+Na+H"	84.054008
"995861"	137.089126	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+2ACN+2H"	84.067652
"1591460"	275.079228	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+K+HCOOH"	84.968628
"1420400"	305.110738	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+H+CF3COOH"	115.000138
"1157251"	157.602401	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+3ACN+2H"	125.094202
"1711177"	322.137285	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+NH4+CF3COOH"	132.026685
"1639174"	327.09268	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+Na+CF3COOH"	136.98208
"1577013"	343.06662	"C13665"	"2-Methyl-5-hydroxytryptamine;2-Me 5-HT"	"C11H14N2O"	"190.1106"	"M+K+CF3COOH"	152.95602
"807378"	284.1525	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M"	0
"989644"	265.13411	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-H2O-H"	-19.01839
"76815"	188.427724	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M-3H"	-3.021828
"515284"	283.145224	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M-3H"	-3.021828
"894540"	93.710224	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-3H"	-3.021828
"15467"	283.145224	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M-2H"	-2.014552
"454497"	425.221474	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M-2H"	-2.014552
"832297"	141.068974	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-2H"	-2.014552
"92289"	567.297724	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M-H"	-1.007276
"528568"	851.450224	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M-H"	-1.007276
"910955"	283.145224	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-H"	-1.007276
"61350"	584.324271	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M-2H+NH4"	16.019271
"501395"	868.476771	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M-2H+NH4"	16.019271
"875917"	300.171771	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-2H+NH4"	16.019271
"34345"	589.279666	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M-2H+Na"	20.974666
"479012"	873.432166	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M-2H+Na"	20.974666
"857906"	305.127166	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-2H+Na"	20.974666
"1625617"	305.127166	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Na-2H"	20.974666
"99594"	301.133563	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M-H+Cl"	33.962126
"546812"	443.209813	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M-H+Cl"	33.962126
"942234"	159.057313	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-H+Cl"	33.962126
"276696"	603.274402	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+Cl"	34.969402
"670212"	887.426902	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+Cl"	34.969402
"1283708"	319.121902	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Cl"	34.969402
"30274"	605.253606	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M-2H+K"	36.948606
"459262"	889.406106	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M-2H+K"	36.948606
"840347"	321.101106	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-2H+K"	36.948606
"1563839"	321.101106	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+K-2H"	36.948606
"955000"	329.150694	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-H+HCOOH"	44.998194
"367748"	613.303201	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+HCOOH-H"	44.998201
"348350"	627.318851	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+Hac-H"	59.013851
"1497183"	343.166351	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Hac-H"	59.013851
"961813"	351.132651	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-H+NaCOOH"	66.980151
"115824"	319.121902	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+2Cl"	69.938804
"555386"	461.198152	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+2Cl"	69.938804
"1026369"	177.045652	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2Cl"	69.938804
"1247041"	363.071385	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Br"	78.918885
"1311679"	365.127372	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Cl+HCOOH"	80.974872
"1325895"	387.109329	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Cl+NaCOOH"	102.956829
"920230"	397.138086	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M-H+CF3COOH"	112.985586
"1295844"	433.114764	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Cl+CF3COOH"	148.962264
"1370734"	249.139824	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H-2H2O"	-35.012676
"1385314"	267.1498	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H-H2O"	-17.0027
"291196"	569.312276	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+H"	1.007276
"681432"	853.464776	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+H"	1.007276
"1355592"	285.159776	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H"	1.007276
"135044"	285.159776	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+2H"	2.014552
"569863"	427.236026	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+2H"	2.014552
"1041210"	143.083526	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2H"	2.014552
"209480"	190.442276	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+3H"	3.021828
"650864"	285.159776	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+3H"	3.021828
"1170082"	95.724776	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+3H"	3.021828
"434454"	586.338823	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+NH4"	18.033823
"796545"	870.491323	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+NH4"	18.033823
"1688501"	302.186323	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+NH4"	18.033823
"335684"	293.6730495	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+H+NH4"	19.041099
"729199"	435.7492995	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+H+NH4"	19.041099
"1486304"	151.5967995	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H+NH4"	19.041099
"403890"	591.294218	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+Na"	22.989218
"767073"	875.446718	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+Na"	22.989218
"1616636"	307.141718	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Na"	22.989218
"327399"	296.150747	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+H+Na"	23.996494
"715447"	438.226997	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+H+Na"	23.996494
"1473279"	154.074497	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H+Na"	23.996494
"1066161"	103.05209	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2H+Na"	25.00377
"1271117"	317.185986	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+CH3OH+H"	33.033486
"392807"	607.268158	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+K"	38.963158
"753244"	891.420658	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+K"	38.963158
"1554937"	323.115658	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+K"	38.963158
"313205"	304.137717	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+H+K"	39.970434
"706235"	446.213967	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+H+K"	39.970434
"1460869"	162.061467	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H+K"	39.970434
"251214"	610.338826	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+ACN+H"	42.033826
"1225547"	326.186326	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+ACN+H"	42.033826
"1205367"	163.596801	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+ACN+2H"	43.041102
"202614"	613.27616	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+2Na-H"	44.97116
"639256"	897.42866	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+2Na-H"	44.97116
"1146048"	329.12366	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2Na-H"	44.97116
"187755"	307.141718	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+2Na"	45.978436
"623435"	449.217968	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+2Na"	45.978436
"1129489"	165.065468	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2Na"	45.978436
"1412643"	110.379404	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H+2Na"	46.985712
"1441115"	331.165246	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H+HCOOH"	47.012746
"233734"	312.17474	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+3H2O+2H"	56.04448
"1522163"	345.21729	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+IsoProp+H"	61.06479
"416380"	315.128688	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+Na+K"	61.952376
"781383"	457.204938	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+Na+K"	61.952376
"1675887"	173.052438	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Na+K"	61.952376
"262777"	632.320768	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+ACN+Na"	64.015768
"1236579"	348.168268	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+ACN+Na"	64.015768
"1722923"	348.191793	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+NH4+HCOOH"	64.039293
"1190464"	117.706718	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+3Na"	68.967654
"1662547"	353.147188	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Na+HCOOH"	68.994688
"168313"	645.22404	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+2K-H"	76.91904
"611154"	929.37654	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+2K-H"	76.91904
"1091294"	361.07154	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2K-H"	76.91904
"147376"	323.115658	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"2M+2K"	77.926316
"584750"	465.191908	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"3M+2K"	77.926316
"1074367"	181.039408	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2K"	77.926316
"1106483"	363.086092	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2K+H"	78.933592
"1342869"	363.173707	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+DMSO+H"	79.021207
"1013585"	367.212876	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2ACN+H"	83.060376
"1530616"	368.206508	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+IsoProp+Na+H"	84.054008
"994878"	184.110076	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+2ACN+2H"	84.067652
"1591570"	369.121128	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+K+HCOOH"	84.968628
"1420510"	399.152638	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+H+CF3COOH"	115.000138
"1157361"	204.623351	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+3ACN+2H"	125.094202
"1710194"	416.179185	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+NH4+CF3COOH"	132.026685
"1639284"	421.13458	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+Na+CF3COOH"	136.98208
"1577123"	437.10852	"C13666"	"Tropisetron"	"C17H20N2O2"	"284.1525"	"M+K+CF3COOH"	152.95602
"807488"	336.0165	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M"	0
"989609"	316.99811	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-H2O-H"	-19.01839
"77289"	223.003724	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M-3H"	-3.021828
"517824"	335.009224	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M-3H"	-3.021828
"895630"	110.998224	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-3H"	-3.021828
"15684"	335.009224	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M-2H"	-2.014552
"454606"	503.017474	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M-2H"	-2.014552
"826940"	167.000974	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-2H"	-2.014552
"92399"	671.025724	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M-H"	-1.007276
"527585"	1007.042224	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M-H"	-1.007276
"905386"	335.009224	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-H"	-1.007276
"61825"	688.052271	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M-2H+NH4"	16.019271
"498225"	1024.068771	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M-2H+NH4"	16.019271
"875663"	352.035771	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-2H+NH4"	16.019271
"33236"	693.007666	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M-2H+Na"	20.974666
"480215"	1029.024166	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M-2H+Na"	20.974666
"852549"	356.991166	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-2H+Na"	20.974666
"1623540"	356.991166	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Na-2H"	20.974666
"97517"	352.997563	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M-H+Cl"	33.962126
"548015"	521.005813	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M-H+Cl"	33.962126
"940438"	184.989313	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-H+Cl"	33.962126
"277900"	707.002402	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+Cl"	34.969402
"670322"	1043.018902	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+Cl"	34.969402
"1282725"	370.985902	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Cl"	34.969402
"30020"	708.981606	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M-2H+K"	36.948606
"459372"	1044.998106	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M-2H+K"	36.948606
"839364"	372.965106	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-2H+K"	36.948606
"1563949"	372.965106	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+K-2H"	36.948606
"954017"	381.014694	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-H+HCOOH"	44.998194
"366765"	717.031201	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+HCOOH-H"	44.998201
"348460"	731.046851	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+Hac-H"	59.013851
"1497293"	395.030351	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Hac-H"	59.013851
"963380"	402.996651	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-H+NaCOOH"	66.980151
"115934"	370.985902	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+2Cl"	69.938804
"556589"	538.994152	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+2Cl"	69.938804
"1026479"	202.977652	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2Cl"	69.938804
"1246058"	414.935385	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Br"	78.918885
"1310695"	416.991372	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Cl+HCOOH"	80.974872
"1324911"	438.973329	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Cl+NaCOOH"	102.956829
"920340"	449.002086	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M-H+CF3COOH"	112.985586
"1293767"	484.978764	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Cl+CF3COOH"	148.962264
"1371208"	301.003824	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H-2H2O"	-35.012676
"1385424"	319.0138	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H-H2O"	-17.0027
"291306"	673.040276	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+H"	1.007276
"681542"	1009.056776	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+H"	1.007276
"1353515"	337.023776	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H"	1.007276
"130780"	337.023776	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+2H"	2.014552
"569973"	505.032026	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+2H"	2.014552
"1040956"	169.015526	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2H"	2.014552
"208857"	225.018276	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+3H"	3.021828
"648420"	337.023776	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+3H"	3.021828
"1168005"	113.012776	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+3H"	3.021828
"433471"	690.066823	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+NH4"	18.033823
"794465"	1026.083323	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+NH4"	18.033823
"1688606"	354.050323	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+NH4"	18.033823
"332514"	345.5370495	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+H+NH4"	19.041099
"729308"	513.5452995	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+H+NH4"	19.041099
"1483131"	177.5287995	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H+NH4"	19.041099
"395250"	695.022218	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+Na"	22.989218
"766089"	1031.038718	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+Na"	22.989218
"1613095"	359.005718	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Na"	22.989218
"327508"	348.014747	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+H+Na"	23.996494
"717744"	516.022997	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+H+Na"	23.996494
"1473753"	180.006497	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H+Na"	23.996494
"1064811"	120.34009	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2H+Na"	25.00377
"1264299"	369.049986	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+CH3OH+H"	33.033486
"392564"	710.996158	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+K"	38.963158
"754044"	1047.012658	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+K"	38.963158
"1554313"	374.979658	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+K"	38.963158
"312222"	356.001717	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+H+K"	39.970434
"706668"	524.009967	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+H+K"	39.970434
"1460772"	187.993467	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H+K"	39.970434
"251329"	714.066826	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+ACN+H"	42.033826
"1223415"	378.050326	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+ACN+H"	42.033826
"1204384"	189.528801	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+ACN+2H"	43.041102
"198714"	717.00416	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+2Na-H"	44.97116
"640823"	1053.02066	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+2Na-H"	44.97116
"1145551"	380.98766	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2Na-H"	44.97116
"186893"	359.005718	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+2Na"	45.978436
"627550"	527.013968	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+2Na"	45.978436
"1129594"	190.997468	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2Na"	45.978436
"1408013"	127.667404	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H+2Na"	46.985712
"1439034"	383.029246	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H+HCOOH"	47.012746
"232750"	364.03874	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+3H2O+2H"	56.04448
"1516798"	397.08129	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+IsoProp+H"	61.06479
"420857"	366.992688	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+Na+K"	61.952376
"781851"	535.000938	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+Na+K"	61.952376
"1675993"	198.984438	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Na+K"	61.952376
"263979"	736.048768	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+ACN+Na"	64.015768
"1234135"	400.032268	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+ACN+Na"	64.015768
"1724123"	400.055793	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+NH4+HCOOH"	64.039293
"1188384"	134.994718	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+3Na"	68.967654
"1661563"	405.011188	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Na+HCOOH"	68.994688
"167331"	748.95204	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+2K-H"	76.91904
"605065"	1084.96854	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+2K-H"	76.91904
"1093588"	412.93554	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2K-H"	76.91904
"150403"	374.979658	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"2M+2K"	77.926316
"587047"	542.987908	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"3M+2K"	77.926316
"1072290"	206.971408	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2K"	77.926316
"1105498"	414.950092	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2K+H"	78.933592
"1339698"	415.037707	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+DMSO+H"	79.021207
"1011508"	419.076876	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2ACN+H"	83.060376
"1526715"	420.070508	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+IsoProp+Na+H"	84.054008
"990323"	210.042076	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+2ACN+2H"	84.067652
"1587424"	420.985128	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+K+HCOOH"	84.968628
"1418434"	451.016638	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+H+CF3COOH"	115.000138
"1154191"	230.555351	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+3ACN+2H"	125.094202
"1704836"	468.043185	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+NH4+CF3COOH"	132.026685
"1637568"	472.99858	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+Na+CF3COOH"	136.98208
"1577233"	488.97252	"C13667"	"23-Dioxo-6-nitro-7-sulfamoylbenzofquinoxaline;NBQX"	"C12H8N4O6S"	"336.0165"	"M+K+CF3COOH"	152.95602
"807598"	232.0233	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M"	0
"986600"	213.00491	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-H2O-H"	-19.01839
"77763"	153.674924	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M-3H"	-3.021828
"516597"	231.016024	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M-3H"	-3.021828
"893669"	76.333824	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-3H"	-3.021828
"14066"	231.016024	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M-2H"	-2.014552
"452530"	347.027674	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M-2H"	-2.014552
"829237"	115.004374	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-2H"	-2.014552
"83761"	463.039324	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M-H"	-1.007276
"524414"	695.062624	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M-H"	-1.007276
"905496"	231.016024	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-H"	-1.007276
"55496"	480.065871	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M-2H+NH4"	16.019271
"495056"	712.089171	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M-2H+NH4"	16.019271
"877232"	248.042571	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-2H+NH4"	16.019271
"33104"	485.021266	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M-2H+Na"	20.974666
"478138"	717.044566	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M-2H+Na"	20.974666
"853023"	252.997966	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-2H+Na"	20.974666
"1623286"	252.997966	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Na-2H"	20.974666
"96534"	249.004363	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M-H+Cl"	33.962126
"547761"	365.016013	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M-H+Cl"	33.962126
"942250"	132.992713	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-H+Cl"	33.962126
"279103"	499.016002	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+Cl"	34.969402
"670431"	731.039302	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+Cl"	34.969402
"1281741"	266.992702	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Cl"	34.969402
"29764"	500.995206	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M-2H+K"	36.948606
"459482"	733.018506	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M-2H+K"	36.948606
"840567"	268.971906	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-2H+K"	36.948606
"1567340"	268.971906	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+K-2H"	36.948606
"953034"	277.021494	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-H+HCOOH"	44.998194
"366875"	509.044801	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+HCOOH-H"	44.998201
"349663"	523.060451	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+Hac-H"	59.013851
"1498496"	291.037151	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Hac-H"	59.013851
"967138"	299.003451	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-H+NaCOOH"	66.980151
"118230"	266.992702	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+2Cl"	69.938804
"555606"	383.004352	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+2Cl"	69.938804
"1026590"	150.981052	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2Cl"	69.938804
"1248355"	310.942185	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Br"	78.918885
"1309712"	312.998172	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Cl+HCOOH"	80.974872
"1326114"	334.980129	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Cl+NaCOOH"	102.956829
"920450"	345.008886	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M-H+CF3COOH"	112.985586
"1294971"	380.985564	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Cl+CF3COOH"	148.962264
"1371318"	197.010624	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H-2H2O"	-35.012676
"1385534"	215.0206	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H-H2O"	-17.0027
"291416"	465.053876	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+H"	1.007276
"683838"	697.077176	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+H"	1.007276
"1353989"	233.030576	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H"	1.007276
"130890"	233.030576	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+2H"	2.014552
"569719"	349.042226	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+2H"	2.014552
"1041431"	117.018926	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2H"	2.014552
"208603"	155.689476	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+3H"	3.021828
"649621"	233.030576	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+3H"	3.021828
"1168840"	78.348376	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+3H"	3.021828
"432485"	482.080423	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+NH4"	18.033823
"795668"	714.103723	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+NH4"	18.033823
"1686530"	250.057123	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+NH4"	18.033823
"333717"	241.5438495	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+H+NH4"	19.041099
"728326"	357.5554995	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+H+NH4"	19.041099
"1483241"	125.5321995	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H+NH4"	19.041099
"399736"	487.035818	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+Na"	22.989218
"764014"	719.059118	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+Na"	22.989218
"1611019"	255.012518	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Na"	22.989218
"325434"	244.021547	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+H+Na"	23.996494
"712387"	360.033197	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+H+Na"	23.996494
"1472770"	128.009897	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H+Na"	23.996494
"1063828"	85.67569	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2H+Na"	25.00377
"1262223"	265.056786	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+CH3OH+H"	33.033486
"391620"	503.009758	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+K"	38.963158
"753830"	735.033058	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+K"	38.963158
"1554298"	270.986458	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+K"	38.963158
"313668"	252.008517	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+H+K"	39.970434
"705481"	368.020167	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+H+K"	39.970434
"1460883"	135.996867	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H+K"	39.970434
"251374"	506.080426	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+ACN+H"	42.033826
"1224985"	274.057126	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+ACN+H"	42.033826
"1202307"	137.532201	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+ACN+2H"	43.041102
"197366"	509.01776	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+2Na-H"	44.97116
"639109"	741.04106	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+2Na-H"	44.97116
"1145417"	276.99446	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2Na-H"	44.97116
"186275"	255.012518	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+2Na"	45.978436
"627782"	371.024168	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+2Na"	45.978436
"1127517"	139.000868	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2Na"	45.978436
"1408123"	93.003004	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H+2Na"	46.985712
"1440237"	279.036046	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H+HCOOH"	47.012746
"232132"	260.04554	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+3H2O+2H"	56.04448
"1516908"	293.08809	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+IsoProp+H"	61.06479
"420239"	262.999488	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+Na+K"	61.952376
"782690"	379.011138	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+Na+K"	61.952376
"1676103"	146.987838	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Na+K"	61.952376
"262995"	528.062368	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+ACN+Na"	64.015768
"1234610"	296.039068	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+ACN+Na"	64.015768
"1723141"	296.062593	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+NH4+HCOOH"	64.039293
"1188494"	100.330318	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+3Na"	68.967654
"1659486"	301.017988	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Na+HCOOH"	68.994688
"167440"	540.96564	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+2K-H"	76.91904
"606997"	772.98894	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+2K-H"	76.91904
"1092604"	308.94234	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2K-H"	76.91904
"153792"	270.986458	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"2M+2K"	77.926316
"592262"	386.998108	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"3M+2K"	77.926316
"1071305"	154.974808	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2K"	77.926316
"1107796"	310.956892	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2K+H"	78.933592
"1343089"	311.044507	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+DMSO+H"	79.021207
"1012712"	315.083676	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2ACN+H"	83.060376
"1527554"	316.077308	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+IsoProp+Na+H"	84.054008
"990721"	158.045476	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+2ACN+2H"	84.067652
"1587287"	316.991928	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+K+HCOOH"	84.968628
"1419637"	347.023438	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+H+CF3COOH"	115.000138
"1154300"	178.558751	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+3ACN+2H"	125.094202
"1702759"	364.049985	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+NH4+CF3COOH"	132.026685
"1636585"	369.00538	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+Na+CF3COOH"	136.98208
"1577343"	384.97932	"C13668"	"CNQX;6-Cyano-7-nitroquinoxaline-23-dione"	"C9H4N4O4"	"232.0233"	"M+K+CF3COOH"	152.95602
"807708"	337.1426	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M"	0
"989265"	318.12421	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-H2O-H"	-19.01839
"77145"	223.754457333333	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M-3H"	-3.021828
"514521"	336.135324	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M-3H"	-3.021828
"892685"	111.373590666667	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-3H"	-3.021828
"14175"	336.135324	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M-2H"	-2.014552
"452640"	504.706624	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M-2H"	-2.014552
"829347"	167.564024	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-2H"	-2.014552
"87151"	673.277924	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M-H"	-1.007276
"527804"	1010.420524	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M-H"	-1.007276
"905606"	336.135324	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-H"	-1.007276
"55606"	690.304471	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M-2H+NH4"	16.019271
"495166"	1027.447071	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M-2H+NH4"	16.019271
"877342"	353.161871	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-2H+NH4"	16.019271
"32849"	695.259866	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M-2H+Na"	20.974666
"473137"	1032.402466	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M-2H+Na"	20.974666
"851673"	358.117266	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-2H+Na"	20.974666
"1621570"	358.117266	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Na-2H"	20.974666
"97008"	354.123663	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M-H+Cl"	33.962126
"540581"	522.694963	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M-H+Cl"	33.962126
"936283"	185.552363	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-H+Cl"	33.962126
"274839"	709.254602	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+Cl"	34.969402
"668354"	1046.397202	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+Cl"	34.969402
"1280758"	372.112002	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Cl"	34.969402
"25500"	711.233806	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M-2H+K"	36.948606
"459592"	1048.376406	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M-2H+K"	36.948606
"836303"	374.091206	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-2H+K"	36.948606
"1569637"	374.091206	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+K-2H"	36.948606
"953144"	382.140794	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-H+HCOOH"	44.998194
"368078"	719.283401	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+HCOOH-H"	44.998201
"349044"	733.299051	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+Hac-H"	59.013851
"1497877"	396.156451	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Hac-H"	59.013851
"967244"	404.122751	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-H+NaCOOH"	66.980151
"119432"	372.112002	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+2Cl"	69.938804
"557903"	540.683302	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+2Cl"	69.938804
"1026700"	203.540702	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2Cl"	69.938804
"1246278"	416.061485	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Br"	78.918885
"1309822"	418.117472	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Cl+HCOOH"	80.974872
"1326223"	440.099429	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Cl+NaCOOH"	102.956829
"919468"	450.128186	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M-H+CF3COOH"	112.985586
"1293987"	486.104864	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Cl+CF3COOH"	148.962264
"1372157"	302.129924	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H-2H2O"	-35.012676
"1385644"	320.1399	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H-H2O"	-17.0027
"292619"	675.292476	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+H"	1.007276
"682855"	1012.435076	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+H"	1.007276
"1354828"	338.149876	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H"	1.007276
"131000"	338.149876	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+2H"	2.014552
"570922"	506.721176	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+2H"	2.014552
"1042997"	169.578576	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2H"	2.014552
"209077"	225.769009333333	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+3H"	3.021828
"649731"	338.149876	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+3H"	3.021828
"1167857"	113.388142666667	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+3H"	3.021828
"432595"	692.319023	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+NH4"	18.033823
"796871"	1029.461623	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+NH4"	18.033823
"1685911"	355.176423	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+NH4"	18.033823
"334920"	346.6631495	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+H+NH4"	19.041099
"728436"	515.2344495	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+H+NH4"	19.041099
"1483351"	178.0918495	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H+NH4"	19.041099
"399846"	697.274418	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+Na"	22.989218
"764124"	1034.417018	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+Na"	22.989218
"1611129"	360.131818	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Na"	22.989218
"322261"	349.140847	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+H+Na"	23.996494
"712497"	517.712147	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+H+Na"	23.996494
"1469601"	180.569547	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H+Na"	23.996494
"1062845"	120.715456666667	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2H+Na"	25.00377
"1262333"	370.176086	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+CH3OH+H"	33.033486
"388204"	713.248358	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+K"	38.963158
"752116"	1050.390958	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+K"	38.963158
"1552706"	376.105758	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+K"	38.963158
"312076"	357.127817	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+H+K"	39.970434
"704132"	525.699117	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+H+K"	39.970434
"1460020"	188.556517	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H+K"	39.970434
"247283"	716.319026	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+ACN+H"	42.033826
"1223880"	379.176426	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+ACN+H"	42.033826
"1203508"	190.091851	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+ACN+2H"	43.041102
"194560"	719.25636	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+2Na-H"	44.97116
"637032"	1056.39896	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+2Na-H"	44.97116
"1142729"	382.11376	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2Na-H"	44.97116
"186508"	360.131818	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+2Na"	45.978436
"626432"	528.703118	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+2Na"	45.978436
"1127991"	191.560518	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2Na"	45.978436
"1408233"	128.042770666667	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H+2Na"	46.985712
"1436338"	384.155346	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H+HCOOH"	47.012746
"232605"	365.16484	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+3H2O+2H"	56.04448
"1512644"	398.20739	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+IsoProp+H"	61.06479
"418890"	368.118788	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+Na+K"	61.952376
"782070"	536.690088	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+Na+K"	61.952376
"1672933"	199.547488	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Na+K"	61.952376
"261646"	738.300968	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+ACN+Na"	64.015768
"1233261"	401.158368	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+ACN+Na"	64.015768
"1723251"	401.181893	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+NH4+HCOOH"	64.039293
"1188604"	135.370084666667	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+3Na"	68.967654
"1661782"	406.137288	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Na+HCOOH"	68.994688
"168642"	751.20424	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+2K-H"	76.91904
"607107"	1088.34684	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+2K-H"	76.91904
"1093807"	414.06164	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2K-H"	76.91904
"153902"	376.105758	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"2M+2K"	77.926316
"593465"	544.677058	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"3M+2K"	77.926316
"1073604"	207.534458	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2K"	77.926316
"1106813"	416.076192	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2K+H"	78.933592
"1344292"	416.163807	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+DMSO+H"	79.021207
"1012823"	420.202976	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2ACN+H"	83.060376
"1529853"	421.196608	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+IsoProp+Na+H"	84.054008
"992290"	210.605126	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+2ACN+2H"	84.067652
"1587277"	422.111228	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+K+HCOOH"	84.968628
"1419747"	452.142738	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+H+CF3COOH"	115.000138
"1154410"	231.118401	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+3ACN+2H"	125.094202
"1702869"	469.169285	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+NH4+CF3COOH"	132.026685
"1635965"	474.12468	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+Na+CF3COOH"	136.98208
"1577453"	490.09862	"C13670"	"Talampanel"	"C19H19N3O3"	"337.1426"	"M+K+CF3COOH"	152.95602
"807818"	217.0499	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M"	0
"989808"	198.03151	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-H2O-H"	-19.01839
"78269"	143.692657333333	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M-3H"	-3.021828
"517789"	216.042624	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M-3H"	-3.021828
"895575"	71.3426906666667	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-3H"	-3.021828
"10999"	216.042624	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M-2H"	-2.014552
"442537"	324.567574	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M-2H"	-2.014552
"829457"	107.517674	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-2H"	-2.014552
"87261"	433.092524	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M-H"	-1.007276
"527914"	650.142424	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M-H"	-1.007276
"907903"	216.042624	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-H"	-1.007276
"56810"	450.119071	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M-2H+NH4"	16.019271
"498556"	667.168971	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M-2H+NH4"	16.019271
"878545"	233.069171	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-2H+NH4"	16.019271
"33322"	455.074466	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M-2H+Na"	20.974666
"472758"	672.124366	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M-2H+Na"	20.974666
"850320"	238.024566	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-2H+Na"	20.974666
"1621680"	238.024566	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Na-2H"	20.974666
"97114"	234.030963	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M-H+Cl"	33.962126
"543971"	342.555913	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M-H+Cl"	33.962126
"938581"	125.506013	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-H+Cl"	33.962126
"270573"	469.069202	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+Cl"	34.969402
"667371"	686.119102	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+Cl"	34.969402
"1281960"	252.019302	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Cl"	34.969402
"27797"	471.048406	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M-2H+K"	36.948606
"462981"	688.098306	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M-2H+K"	36.948606
"836413"	253.998506	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-2H+K"	36.948606
"1569747"	253.998506	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+K-2H"	36.948606
"952161"	262.048094	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-H+HCOOH"	44.998194
"366002"	479.098001	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+HCOOH-H"	44.998201
"352070"	493.113651	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+Hac-H"	59.013851
"1500903"	276.063751	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Hac-H"	59.013851
"968447"	284.030051	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-H+NaCOOH"	66.980151
"119542"	252.019302	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+2Cl"	69.938804
"562382"	360.544252	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+2Cl"	69.938804
"1030088"	143.494352	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2Cl"	69.938804
"1249669"	295.968785	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Br"	78.918885
"1316493"	298.024772	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Cl+HCOOH"	80.974872
"1325241"	320.006729	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Cl+NaCOOH"	102.956829
"919578"	330.035486	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M-H+CF3COOH"	112.985586
"1295192"	366.012164	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Cl+CF3COOH"	148.962264
"1373361"	182.037224	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H-2H2O"	-35.012676
"1385390"	200.0472	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H-H2O"	-17.0027
"290543"	435.107076	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+H"	1.007276
"682966"	652.156976	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+H"	1.007276
"1356032"	218.057176	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H"	1.007276
"133297"	218.057176	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+2H"	2.014552
"569210"	326.582126	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+2H"	2.014552
"1041651"	109.532226	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2H"	2.014552
"209916"	145.707209333333	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+3H"	3.021828
"649841"	218.057176	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+3H"	3.021828
"1164807"	73.3572426666667	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+3H"	3.021828
"434892"	452.133623	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+NH4"	18.033823
"796981"	669.183523	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+NH4"	18.033823
"1688936"	235.083723	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+NH4"	18.033823
"337217"	226.5704495	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+H+NH4"	19.041099
"729638"	335.0953995	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+H+NH4"	19.041099
"1483457"	118.0454995	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H+NH4"	19.041099
"399952"	457.089018	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+Na"	22.989218
"766421"	674.138918	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+Na"	22.989218
"1614156"	240.039118	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Na"	22.989218
"322371"	229.048147	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+H+Na"	23.996494
"711513"	337.573097	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+H+Na"	23.996494
"1469346"	120.523197	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H+Na"	23.996494
"1062954"	80.6845566666667	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2H+Na"	25.00377
"1265723"	250.083386	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+CH3OH+H"	33.033486
"388678"	473.062958	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+K"	38.963158
"751134"	690.112858	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+K"	38.963158
"1552816"	256.013058	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+K"	38.963158
"310360"	237.035117	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+H+K"	39.970434
"702784"	345.560067	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+H+K"	39.970434
"1456604"	128.510167	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H+K"	39.970434
"248487"	476.133626	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+ACN+H"	42.033826
"1222289"	259.083726	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+ACN+H"	42.033826
"1201432"	130.045501	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+ACN+2H"	43.041102
"193213"	479.07096	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+2Na-H"	44.97116
"634955"	696.12086	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+2Na-H"	44.97116
"1141746"	262.02106	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2Na-H"	44.97116
"185643"	240.039118	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+2Na"	45.978436
"625689"	348.564068	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+2Na"	45.978436
"1128101"	131.514168	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2Na"	45.978436
"1405063"	88.0118706666667	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H+2Na"	46.985712
"1436084"	264.062646	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H+HCOOH"	47.012746
"234413"	245.07214	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+3H2O+2H"	56.04448
"1511660"	278.11469	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+IsoProp+H"	61.06479
"414626"	248.026088	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+Na+K"	61.952376
"775982"	356.551038	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+Na+K"	61.952376
"1671220"	139.501138	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Na+K"	61.952376
"260663"	498.115568	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+ACN+Na"	64.015768
"1234464"	281.065668	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+ACN+Na"	64.015768
"1722987"	281.089193	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+NH4+HCOOH"	64.039293
"1188714"	95.3391846666667	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+3Na"	68.967654
"1660799"	286.044588	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Na+HCOOH"	68.994688
"168752"	511.01884	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+2K-H"	76.91904
"606124"	728.06874	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+2K-H"	76.91904
"1093917"	293.96894	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2K-H"	76.91904
"155105"	256.013058	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"2M+2K"	77.926316
"594667"	364.538008	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"3M+2K"	77.926316
"1072621"	147.488108	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2K"	77.926316
"1108015"	295.983492	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2K+H"	78.933592
"1344402"	296.071107	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+DMSO+H"	79.021207
"1014025"	300.110276	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2ACN+H"	83.060376
"1531057"	301.103908	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+IsoProp+Na+H"	84.054008
"990942"	150.558776	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+2ACN+2H"	84.067652
"1587995"	302.018528	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+K+HCOOH"	84.968628
"1419857"	332.050038	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+H+CF3COOH"	115.000138
"1154520"	171.072051	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+3ACN+2H"	125.094202
"1704072"	349.076585	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+NH4+CF3COOH"	132.026685
"1635347"	354.03198	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+Na+CF3COOH"	136.98208
"1577563"	370.00592	"C13671"	"(S)-F-Willardiine;5-Fluorowillardiine"	"C7H8FN3O4"	"217.0499"	"M+K+CF3COOH"	152.95602
"816313"	186.0641	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M"	0
"989608"	167.04571	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-H2O-H"	-19.01839
"78454"	123.035457333333	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M-3H"	-3.021828
"518334"	185.056824	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M-3H"	-3.021828
"894722"	61.0140906666667	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-3H"	-3.021828
"11109"	185.056824	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M-2H"	-2.014552
"443378"	278.088874	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M-2H"	-2.014552
"832764"	92.024774	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-2H"	-2.014552
"90651"	371.120924	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M-H"	-1.007276
"533131"	557.185024	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M-H"	-1.007276
"906920"	185.056824	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-H"	-1.007276
"60201"	388.147471	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M-2H+NH4"	16.019271
"500612"	574.211571	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M-2H+NH4"	16.019271
"875375"	202.083371	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-2H+NH4"	16.019271
"34529"	393.102866	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M-2H+Na"	20.974666
"474818"	579.166966	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M-2H+Na"	20.974666
"852988"	207.038766	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-2H+Na"	20.974666
"1623614"	207.038766	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Na-2H"	20.974666
"101235"	203.045163	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M-H+Cl"	33.962126
"544081"	296.077213	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M-H+Cl"	33.962126
"939055"	110.013113	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-H+Cl"	33.962126
"271778"	407.097602	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+Cl"	34.969402
"669668"	593.161702	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+Cl"	34.969402
"1282070"	221.033502	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Cl"	34.969402
"27907"	409.076806	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M-2H+K"	36.948606
"461998"	595.140906	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M-2H+K"	36.948606
"845273"	223.012706	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-2H+K"	36.948606
"1562199"	223.012706	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+K-2H"	36.948606
"951177"	231.062294	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-H+HCOOH"	44.998194
"365017"	417.126401	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+HCOOH-H"	44.998201
"348535"	431.142051	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+Hac-H"	59.013851
"1502108"	245.077951	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Hac-H"	59.013851
"969289"	253.044251	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-H+NaCOOH"	66.980151
"118562"	221.033502	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+2Cl"	69.938804
"562495"	314.065552	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+2Cl"	69.938804
"1032389"	128.001452	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2Cl"	69.938804
"1254152"	264.982985	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Br"	78.918885
"1315506"	267.038972	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Cl+HCOOH"	80.974872
"1334096"	289.020929	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Cl+NaCOOH"	102.956829
"921873"	299.049686	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M-H+CF3COOH"	112.985586
"1293119"	335.026364	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Cl+CF3COOH"	148.962264
"1369092"	151.051424	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H-2H2O"	-35.012676
"1388051"	169.0614	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H-H2O"	-17.0027
"288832"	373.135476	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+H"	1.007276
"684170"	559.199576	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+H"	1.007276
"1357237"	187.071376	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H"	1.007276
"134502"	187.071376	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+2H"	2.014552
"575154"	280.103426	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+2H"	2.014552
"1042128"	94.039326	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2H"	2.014552
"206749"	125.050009333333	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+3H"	3.021828
"649589"	187.071376	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+3H"	3.021828
"1163337"	63.0286426666667	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+3H"	3.021828
"432815"	390.162023	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+NH4"	18.033823
"795998"	576.226123	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+NH4"	18.033823
"1691235"	204.097923	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+NH4"	18.033823
"338422"	195.5846495	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+H+NH4"	19.041099
"728657"	288.6166995	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+H+NH4"	19.041099
"1484664"	102.5525995	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H+NH4"	19.041099
"398969"	395.117418	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+Na"	22.989218
"761064"	581.181518	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+Na"	22.989218
"1611349"	209.053318	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Na"	22.989218
"324670"	198.062347	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+H+Na"	23.996494
"713810"	291.094397	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+H+Na"	23.996494
"1470913"	105.030297	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H+Na"	23.996494
"1063064"	70.3559566666667	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2H+Na"	25.00377
"1264740"	219.097586	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+CH3OH+H"	33.033486
"389882"	411.091358	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+K"	38.963158
"753065"	597.155458	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+K"	38.963158
"1549647"	225.027258	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+K"	38.963158
"312658"	206.049317	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+H+K"	39.970434
"704352"	299.081367	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+H+K"	39.970434
"1457444"	113.017267	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H+K"	39.970434
"248233"	414.162026	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+ACN+H"	42.033826
"1220940"	228.097926	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+ACN+H"	42.033826
"1205917"	114.552601	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+ACN+2H"	43.041102
"196602"	417.09936	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+2Na-H"	44.97116
"635065"	603.16346	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+2Na-H"	44.97116
"1142950"	231.03526	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2Na-H"	44.97116
"185146"	209.053318	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+2Na"	45.978436
"622520"	302.085368	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+2Na"	45.978436
"1119466"	116.021268	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2Na"	45.978436
"1406268"	77.6832706666667	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H+2Na"	46.985712
"1440570"	233.076846	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H+HCOOH"	47.012746
"228083"	214.08634	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+3H2O+2H"	56.04448
"1515048"	247.12889	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+IsoProp+H"	61.06479
"412548"	217.040288	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+Na+K"	61.952376
"773540"	310.072338	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+Na+K"	61.952376
"1672420"	124.008238	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Na+K"	61.952376
"259668"	436.143968	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+ACN+Na"	64.015768
"1235667"	250.079868	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+ACN+Na"	64.015768
"1722367"	250.103393	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+NH4+HCOOH"	64.039293
"1189917"	85.0105846666667	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+3Na"	68.967654
"1664676"	255.058788	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Na+HCOOH"	68.994688
"172634"	449.04724	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+2K-H"	76.91904
"612310"	635.11134	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+2K-H"	76.91904
"1096213"	262.98314	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2K-H"	76.91904
"151935"	225.027258	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"2M+2K"	77.926316
"596236"	318.059308	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"3M+2K"	77.926316
"1081478"	131.995208	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2K"	77.926316
"1108126"	264.997692	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2K+H"	78.933592
"1347792"	265.085307	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+DMSO+H"	79.021207
"1016320"	269.124476	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2ACN+H"	83.060376
"1531167"	270.118108	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+IsoProp+Na+H"	84.054008
"992512"	135.065876	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+2ACN+2H"	84.067652
"1594306"	271.032728	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+K+HCOOH"	84.968628
"1421061"	301.064238	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+H+CF3COOH"	115.000138
"1153536"	155.579151	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+3ACN+2H"	125.094202
"1705276"	318.090785	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+NH4+CF3COOH"	132.026685
"1635455"	323.04618	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+Na+CF3COOH"	136.98208
"1578766"	339.02012	"C13672"	"AMPA;alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid"	"C7H10N2O4"	"186.0641"	"M+K+CF3COOH"	152.95602
"808038"	214.059	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M"	0
"988134"	195.04061	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-H2O-H"	-19.01839
"77835"	141.698724	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M-3H"	-3.021828
"516668"	213.051724	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M-3H"	-3.021828
"894831"	70.345724	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-3H"	-3.021828
"9032"	213.051724	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M-2H"	-2.014552
"449685"	320.081224	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M-2H"	-2.014552
"831623"	106.022224	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-2H"	-2.014552
"93398"	427.110724	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M-H"	-1.007276
"531415"	641.169724	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M-H"	-1.007276
"905936"	213.051724	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-H"	-1.007276
"60311"	444.137271	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M-2H+NH4"	16.019271
"495496"	658.196271	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M-2H+NH4"	16.019271
"870381"	230.078271	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-2H+NH4"	16.019271
"35006"	449.092666	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M-2H+Na"	20.974666
"476025"	663.151666	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M-2H+Na"	20.974666
"853098"	235.033666	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-2H+Na"	20.974666
"1623726"	235.033666	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Na-2H"	20.974666
"101346"	231.040063	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M-H+Cl"	33.962126
"542002"	338.069563	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M-H+Cl"	33.962126
"935517"	124.010563	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-H+Cl"	33.962126
"272252"	463.087402	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+Cl"	34.969402
"666493"	677.146402	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+Cl"	34.969402
"1282180"	249.028402	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Cl"	34.969402
"22549"	465.066606	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M-2H+K"	36.948606
"463201"	679.125606	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M-2H+K"	36.948606
"847940"	251.007606	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-2H+K"	36.948606
"1569237"	251.007606	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+K-2H"	36.948606
"950194"	259.057194	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-H+HCOOH"	44.998194
"364399"	473.116201	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+HCOOH-H"	44.998201
"352291"	487.131851	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+Hac-H"	59.013851
"1502218"	273.072851	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Hac-H"	59.013851
"971954"	281.039151	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-H+NaCOOH"	66.980151
"123047"	249.028402	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+2Cl"	69.938804
"564429"	356.057902	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+2Cl"	69.938804
"1034689"	141.998902	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2Cl"	69.938804
"1254264"	292.977885	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Br"	78.918885
"1318535"	295.033872	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Cl+HCOOH"	80.974872
"1334938"	317.015829	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Cl+NaCOOH"	102.956829
"921985"	327.044586	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M-H+CF3COOH"	112.985586
"1294322"	363.021264	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Cl+CF3COOH"	148.962264
"1369202"	179.046324	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H-2H2O"	-35.012676
"1391073"	197.0563	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H-H2O"	-17.0027
"290763"	429.125276	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+H"	1.007276
"687560"	643.184276	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+H"	1.007276
"1358440"	215.066276	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H"	1.007276
"135705"	215.066276	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+2H"	2.014552
"576357"	322.095776	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+2H"	2.014552
"1047343"	108.036776	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2H"	2.014552
"209410"	143.713276	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+3H"	3.021828
"648971"	215.066276	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+3H"	3.021828
"1166728"	72.360276	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+3H"	3.021828
"436205"	446.151823	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+NH4"	18.033823
"797201"	660.210823	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+NH4"	18.033823
"1690252"	232.092823	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+NH4"	18.033823
"338533"	223.5795495	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+H+NH4"	19.041099
"733140"	330.6090495	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+H+NH4"	19.041099
"1485867"	116.5500495	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H+NH4"	19.041099
"400172"	451.107218	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+Na"	22.989218
"763360"	665.166218	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+Na"	22.989218
"1613646"	237.048218	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Na"	22.989218
"328059"	226.057247	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+H+Na"	23.996494
"715014"	333.086747	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+H+Na"	23.996494
"1472116"	119.027747	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H+Na"	23.996494
"1063174"	79.68759	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2H+Na"	25.00377
"1263757"	247.092486	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+CH3OH+H"	33.033486
"391085"	467.081158	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+K"	38.963158
"753945"	681.140158	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+K"	38.963158
"1548664"	253.022158	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+K"	38.963158
"310216"	234.044217	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+H+K"	39.970434
"705921"	341.073717	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+H+K"	39.970434
"1459741"	127.014717	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H+K"	39.970434
"249436"	470.151826	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+ACN+H"	42.033826
"1224332"	256.092826	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+ACN+H"	42.033826
"1209308"	128.550051	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+ACN+2H"	43.041102
"191973"	473.08916	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+2Na-H"	44.97116
"639552"	687.14816	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+2Na-H"	44.97116
"1143060"	259.03016	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2Na-H"	44.97116
"187443"	237.048218	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+2Na"	45.978436
"619350"	344.077718	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+2Na"	45.978436
"1121764"	130.018718	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2Na"	45.978436
"1411847"	87.014904	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H+2Na"	46.985712
"1443962"	261.071746	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H+HCOOH"	47.012746
"224911"	242.08124	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+3H2O+2H"	56.04448
"1512971"	275.12379	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+IsoProp+H"	61.06479
"412658"	245.035188	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+Na+K"	61.952376
"774379"	352.064688	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+Na+K"	61.952376
"1672531"	138.005688	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Na+K"	61.952376
"256499"	492.133768	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+ACN+Na"	64.015768
"1236869"	278.074768	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+ACN+Na"	64.015768
"1720289"	278.098293	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+NH4+HCOOH"	64.039293
"1190027"	94.342218	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+3Na"	68.967654
"1662111"	283.053688	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Na+HCOOH"	68.994688
"170064"	505.03704	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+2K-H"	76.91904
"608530"	719.09604	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+2K-H"	76.91904
"1098877"	290.97804	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2K-H"	76.91904
"152045"	253.022158	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"2M+2K"	77.926316
"593793"	360.051658	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"3M+2K"	77.926316
"1075027"	145.992658	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2K"	77.926316
"1104956"	292.992592	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2K+H"	78.933592
"1343527"	293.080207	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+DMSO+H"	79.021207
"1016430"	297.119376	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2ACN+H"	83.060376
"1531276"	298.113008	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+IsoProp+Na+H"	84.054008
"993349"	149.063326	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+2ACN+2H"	84.067652
"1590042"	299.027628	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+K+HCOOH"	84.968628
"1422264"	329.059138	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+H+CF3COOH"	115.000138
"1153646"	169.576601	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+3ACN+2H"	125.094202
"1706478"	346.085685	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+NH4+CF3COOH"	132.026685
"1635930"	351.04108	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+Na+CF3COOH"	136.98208
"1577783"	367.01502	"C13673"	"(S)-ACPA;(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid"	"C8H10N2O5"	"214.059"	"M+K+CF3COOH"	152.95602
"808148"	370.2733	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M"	0
"987151"	351.25491	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-H2O-H"	-19.01839
"74300"	245.841590666667	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M-3H"	-3.021828
"516048"	369.266024	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M-3H"	-3.021828
"892755"	122.417157333333	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-3H"	-3.021828
"8049"	369.266024	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M-2H"	-2.014552
"448702"	554.402674	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M-2H"	-2.014552
"830882"	184.129374	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-2H"	-2.014552
"91967"	739.539324	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M-H"	-1.007276
"530432"	1109.812624	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M-H"	-1.007276
"902767"	369.266024	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-H"	-1.007276
"59328"	756.565871	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M-2H+NH4"	16.019271
"494513"	1126.839171	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M-2H+NH4"	16.019271
"871220"	386.292571	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-2H+NH4"	16.019271
"36209"	761.521266	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M-2H+Na"	20.974666
"476135"	1131.794566	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M-2H+Na"	20.974666
"853208"	391.247966	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-2H+Na"	20.974666
"1623836"	391.247966	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Na-2H"	20.974666
"100362"	387.254363	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M-H+Cl"	33.962126
"540290"	572.391013	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M-H+Cl"	33.962126
"934534"	202.117713	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-H+Cl"	33.962126
"271267"	775.516002	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+Cl"	34.969402
"663323"	1145.789302	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+Cl"	34.969402
"1282290"	405.242702	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Cl"	34.969402
"23752"	777.495206	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M-2H+K"	36.948606
"463311"	1147.768506	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M-2H+K"	36.948606
"844041"	407.221906	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-2H+K"	36.948606
"1567525"	407.221906	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+K-2H"	36.948606
"950304"	415.271494	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-H+HCOOH"	44.998194
"364144"	785.544801	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+HCOOH-H"	44.998201
"353130"	799.560451	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+Hac-H"	59.013851
"1502328"	429.287151	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Hac-H"	59.013851
"972064"	437.253451	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-H+NaCOOH"	66.980151
"120970"	405.242702	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+2Cl"	69.938804
"558342"	590.379352	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+2Cl"	69.938804
"1036865"	220.106052	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2Cl"	69.938804
"1250002"	449.192185	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Br"	78.918885
"1314636"	451.248172	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Cl+HCOOH"	80.974872
"1332131"	473.230129	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Cl+NaCOOH"	102.956829
"921002"	483.258886	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M-H+CF3COOH"	112.985586
"1293703"	519.235564	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Cl+CF3COOH"	148.962264
"1368583"	335.260624	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H-2H2O"	-35.012676
"1387175"	353.2706	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H-H2O"	-17.0027
"283944"	741.553876	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+H"	1.007276
"677093"	1111.827176	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+H"	1.007276
"1358550"	371.280576	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H"	1.007276
"135815"	371.280576	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+2H"	2.014552
"577560"	556.417226	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+2H"	2.014552
"1046360"	186.143926	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2H"	2.014552
"206602"	247.856142666667	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+3H"	3.021828
"645797"	371.280576	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+3H"	3.021828
"1164650"	124.431709333333	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+3H"	3.021828
"425737"	758.580423	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+NH4"	18.033823
"792936"	1128.853723	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+NH4"	18.033823
"1691455"	388.307123	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+NH4"	18.033823
"340829"	379.7938495	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+H+NH4"	19.041099
"732156"	564.9304995	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+H+NH4"	19.041099
"1482694"	194.6571995	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H+NH4"	19.041099
"397003"	763.535818	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+Na"	22.989218
"762377"	1133.809118	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+Na"	22.989218
"1612663"	393.262518	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Na"	22.989218
"328170"	382.271547	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+H+Na"	23.996494
"717311"	567.408197	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+H+Na"	23.996494
"1472226"	197.134897	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H+Na"	23.996494
"1063284"	131.759023333333	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2H+Na"	25.00377
"1262774"	403.306786	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+CH3OH+H"	33.033486
"391195"	779.509758	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+K"	38.963158
"753042"	1149.783058	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+K"	38.963158
"1550960"	409.236458	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+K"	38.963158
"311419"	390.258517	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+H+K"	39.970434
"704936"	575.395167	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+H+K"	39.970434
"1454384"	205.121867	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H+K"	39.970434
"248452"	782.580426	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+ACN+H"	42.033826
"1222255"	412.307126	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+ACN+H"	42.033826
"1207961"	206.657201	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+ACN+2H"	43.041102
"190990"	785.51776	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+2Na-H"	44.97116
"637475"	1155.79106	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+2Na-H"	44.97116
"1136973"	415.24446	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2Na-H"	44.97116
"183179"	393.262518	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+2Na"	45.978436
"617273"	578.399168	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+2Na"	45.978436
"1121874"	208.125868	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2Na"	45.978436
"1410499"	139.086337333333	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H+2Na"	46.985712
"1440791"	417.286046	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H+HCOOH"	47.012746
"226114"	398.29554	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+3H2O+2H"	56.04448
"1510895"	431.33809	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+IsoProp+H"	61.06479
"412768"	401.249488	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+Na+K"	61.952376
"773759"	586.386138	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+Na+K"	61.952376
"1670092"	216.112838	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Na+K"	61.952376
"257704"	804.562368	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+ACN+Na"	64.015768
"1232600"	434.289068	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+ACN+Na"	64.015768
"1717117"	434.312593	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+NH4+HCOOH"	64.039293
"1187951"	146.413651333333	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+3Na"	68.967654
"1662220"	439.267988	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Na+HCOOH"	68.994688
"170174"	817.46564	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+2K-H"	76.91904
"611437"	1187.73894	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+2K-H"	76.91904
"1098258"	447.19234	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2K-H"	76.91904
"151062"	409.236458	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"2M+2K"	77.926316
"593903"	594.373108	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"3M+2K"	77.926316
"1072950"	224.099808	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2K"	77.926316
"1106159"	449.206892	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2K+H"	78.933592
"1343638"	449.294507	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+DMSO+H"	79.021207
"1014354"	453.333676	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2ACN+H"	83.060376
"1529200"	454.327308	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+IsoProp+Na+H"	84.054008
"994188"	227.170476	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+2ACN+2H"	84.067652
"1590153"	455.241928	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+K+HCOOH"	84.968628
"1422374"	485.273438	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+H+CF3COOH"	115.000138
"1153756"	247.683751	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+3ACN+2H"	125.094202
"1706589"	502.299985	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+NH4+CF3COOH"	132.026685
"1635677"	507.25538	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+Na+CF3COOH"	136.98208
"1577893"	523.22932	"C13674"	"1-Naphthylacetylspermine"	"C22H34N4O"	"370.2733"	"M+K+CF3COOH"	152.95602
"814820"	241.1215	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M"	0
"987990"	222.10311	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-H2O-H"	-19.01839
"75870"	159.740390666667	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M-3H"	-3.021828
"512877"	240.114224	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M-3H"	-3.021828
"888490"	79.3665573333333	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-3H"	-3.021828
"9252"	240.114224	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M-2H"	-2.014552
"441521"	360.674974	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M-2H"	-2.014552
"829899"	119.553474	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-2H"	-2.014552
"88795"	481.235724	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M-H"	-1.007276
"529449"	722.357224	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M-H"	-1.007276
"902877"	240.114224	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-H"	-1.007276
"55063"	498.262271	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M-2H+NH4"	16.019271
"493530"	739.383771	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M-2H+NH4"	16.019271
"870237"	257.140771	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-2H+NH4"	16.019271
"37048"	503.217666	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M-2H+Na"	20.974666
"475517"	744.339166	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M-2H+Na"	20.974666
"853318"	262.096166	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-2H+Na"	20.974666
"1623946"	262.096166	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Na-2H"	20.974666
"97193"	258.102563	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M-H+Cl"	33.962126
"537848"	378.663313	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M-H+Cl"	33.962126
"929174"	137.541813	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-H+Cl"	33.962126
"268827"	517.212402	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+Cl"	34.969402
"661609"	758.333902	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+Cl"	34.969402
"1274741"	276.090902	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Cl"	34.969402
"19489"	519.191606	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M-2H+K"	36.948606
"456734"	760.313106	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M-2H+K"	36.948606
"845244"	278.070106	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-2H+K"	36.948606
"1568364"	278.070106	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+K-2H"	36.948606
"950413"	286.119694	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-H+HCOOH"	44.998194
"364983"	527.241201	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+HCOOH-H"	44.998201
"353605"	541.256851	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+Hac-H"	59.013851
"1502438"	300.135351	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Hac-H"	59.013851
"972053"	308.101651	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-H+NaCOOH"	66.980151
"121080"	276.090902	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+2Cl"	69.938804
"558452"	396.651652	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+2Cl"	69.938804
"1033815"	155.530152	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2Cl"	69.938804
"1252298"	320.040385	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Br"	78.918885
"1313652"	322.096372	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Cl+HCOOH"	80.974872
"1328961"	344.078329	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Cl+NaCOOH"	102.956829
"915645"	354.107086	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M-H+CF3COOH"	112.985586
"1293449"	390.083764	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Cl+CF3COOH"	148.962264
"1367719"	206.108824	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H-2H2O"	-35.012676
"1386192"	224.1188	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H-H2O"	-17.0027
"284419"	483.250276	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+H"	1.007276
"676476"	724.371776	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+H"	1.007276
"1352824"	242.128776	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H"	1.007276
"126805"	242.128776	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+2H"	2.014552
"570012"	362.689526	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+2H"	2.014552
"1039537"	121.568026	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2H"	2.014552
"206711"	161.754942666667	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+3H"	3.021828
"645907"	242.128776	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+3H"	3.021828
"1164395"	81.3811093333333	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+3H"	3.021828
"426211"	500.276823	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+NH4"	18.033823
"790852"	741.398323	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+NH4"	18.033823
"1687190"	259.155323	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+NH4"	18.033823
"335466"	250.6420495	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+H+NH4"	19.041099
"728982"	371.2027995	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+H+NH4"	19.041099
"1480613"	130.0812995	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H+NH4"	19.041099
"396013"	505.232218	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+Na"	22.989218
"755187"	746.353718	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+Na"	22.989218
"1608389"	264.110718	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Na"	22.989218
"328645"	253.119747	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+H+Na"	23.996494
"715234"	373.680497	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+H+Na"	23.996494
"1472336"	132.558997	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H+Na"	23.996494
"1066310"	88.7084233333333	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2H+Na"	25.00377
"1263977"	274.154986	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+CH3OH+H"	33.033486
"392280"	521.206158	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+K"	38.963158
"753639"	762.327658	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+K"	38.963158
"1554836"	280.084658	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+K"	38.963158
"312258"	261.106717	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+H+K"	39.970434
"704683"	381.667467	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+H+K"	39.970434
"1453401"	140.545967	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H+K"	39.970434
"246377"	524.276826	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+ACN+H"	42.033826
"1220177"	283.155326	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+ACN+H"	42.033826
"1205884"	142.081301	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+ACN+2H"	43.041102
"194747"	527.21416	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+2Na-H"	44.97116
"634304"	768.33566	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+2Na-H"	44.97116
"1138906"	286.09266	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2Na-H"	44.97116
"182926"	264.110718	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+2Na"	45.978436
"619570"	384.671468	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+2Na"	45.978436
"1122713"	143.549968	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2Na"	45.978436
"1405871"	96.0357373333333	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H+2Na"	46.985712
"1437986"	288.134246	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H+HCOOH"	47.012746
"224037"	269.14374	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+3H2O+2H"	56.04448
"1511004"	302.18629	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+IsoProp+H"	61.06479
"412878"	272.097688	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+Na+K"	61.952376
"773870"	392.658438	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+Na+K"	61.952376
"1672388"	151.536938	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Na+K"	61.952376
"257813"	546.258768	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+ACN+Na"	64.015768
"1234532"	305.137268	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+ACN+Na"	64.015768
"1717227"	305.160793	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+NH4+HCOOH"	64.039293
"1188060"	103.363051333333	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+3Na"	68.967654
"1661236"	310.116188	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Na+HCOOH"	68.994688
"168097"	559.16204	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+2K-H"	76.91904
"610937"	800.28354	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+2K-H"	76.91904
"1098002"	318.04054	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2K-H"	76.91904
"148985"	280.084658	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"2M+2K"	77.926316
"594013"	400.645408	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"3M+2K"	77.926316
"1078527"	159.523908	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2K"	77.926316
"1107363"	320.055092	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2K+H"	78.933592
"1343748"	320.142707	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+DMSO+H"	79.021207
"1013371"	324.181876	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2ACN+H"	83.060376
"1528217"	325.175508	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+IsoProp+Na+H"	84.054008
"993569"	162.594576	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+2ACN+2H"	84.067652
"1591356"	326.090128	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+K+HCOOH"	84.968628
"1419204"	356.121638	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+H+CF3COOH"	115.000138
"1151680"	183.107851	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+3ACN+2H"	125.094202
"1705606"	373.148185	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+NH4+CF3COOH"	132.026685
"1635788"	378.10358	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+Na+CF3COOH"	136.98208
"1578003"	394.07752	"C13675"	"Ampalex;1-Piperidinyl-6-quinoxalinyl-methanone;CX-516"	"C14H15N3O"	"241.1215"	"M+K+CF3COOH"	152.95602
"808368"	360.1508	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M"	0
"987007"	341.13241	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-H2O-H"	-19.01839
"75983"	239.093257333333	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M-3H"	-3.021828
"517364"	359.143524	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M-3H"	-3.021828
"891882"	119.042990666667	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-3H"	-3.021828
"8269"	359.143524	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M-2H"	-2.014552
"441631"	539.218924	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M-2H"	-2.014552
"830741"	179.068124	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-2H"	-2.014552
"88905"	719.294324	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M-H"	-1.007276
"528466"	1079.445124	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M-H"	-1.007276
"904080"	359.143524	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-H"	-1.007276
"57360"	736.320871	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M-2H+NH4"	16.019271
"498014"	1096.471671	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M-2H+NH4"	16.019271
"872533"	376.170071	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-2H+NH4"	16.019271
"37158"	741.276266	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M-2H+Na"	20.974666
"475627"	1101.427066	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M-2H+Na"	20.974666
"856708"	381.125466	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-2H+Na"	20.974666
"1628430"	381.125466	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Na-2H"	20.974666
"100583"	377.131863	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M-H+Cl"	33.962126
"539051"	557.207263	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M-H+Cl"	33.962126
"929285"	197.056463	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-H+Cl"	33.962126
"275497"	755.271002	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+Cl"	34.969402
"662449"	1115.421802	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+Cl"	34.969402
"1275946"	395.120202	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Cl"	34.969402
"19599"	757.250206	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M-2H+K"	36.948606
"456237"	1117.401006	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M-2H+K"	36.948606
"834770"	397.099406	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-2H+K"	36.948606
"1565922"	397.099406	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+K-2H"	36.948606
"948337"	405.148994	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-H+HCOOH"	44.998194
"368739"	765.299801	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+HCOOH-H"	44.998201
"347517"	779.315451	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+Hac-H"	59.013851
"1499269"	419.164651	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Hac-H"	59.013851
"971190"	427.130951	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-H+NaCOOH"	66.980151
"121190"	395.120202	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+2Cl"	69.938804
"558562"	575.195602	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+2Cl"	69.938804
"1031738"	215.044802	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2Cl"	69.938804
"1246940"	439.069685	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Br"	78.918885
"1307202"	441.125672	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Cl+HCOOH"	80.974872
"1324698"	463.107629	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Cl+NaCOOH"	102.956829
"916848"	473.136386	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M-H+CF3COOH"	112.985586
"1290643"	509.113064	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Cl+CF3COOH"	148.962264
"1367339"	325.138124	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H-2H2O"	-35.012676
"1385207"	343.1481	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H-H2O"	-17.0027
"283025"	721.308876	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+H"	1.007276
"675928"	1081.459676	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+H"	1.007276
"1352691"	361.158076	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H"	1.007276
"126219"	361.158076	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+2H"	2.014552
"566476"	541.233476	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+2H"	2.014552
"1039282"	181.082676	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2H"	2.014552
"205725"	241.107809333333	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+3H"	3.021828
"646018"	361.158076	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+3H"	3.021828
"1163773"	121.057542666667	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+3H"	3.021828
"425956"	738.335423	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+NH4"	18.033823
"789140"	1098.486223	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+NH4"	18.033823
"1686207"	378.184623	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+NH4"	18.033823
"333390"	369.6713495	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+H+NH4"	19.041099
"729091"	549.7467495	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+H+NH4"	19.041099
"1480723"	189.5959495	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H+NH4"	19.041099
"395029"	743.290818	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+Na"	22.989218
"755175"	1103.441618	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+Na"	22.989218
"1608499"	383.140018	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Na"	22.989218
"328754"	372.149047	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+H+Na"	23.996494
"722272"	552.224447	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+H+Na"	23.996494
"1473538"	192.073647	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H+Na"	23.996494
"1067030"	128.384856666667	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2H+Na"	25.00377
"1265181"	393.184286	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+CH3OH+H"	33.033486
"392390"	759.264758	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+K"	38.963158
"753265"	1119.415558	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+K"	38.963158
"1553003"	399.113958	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+K"	38.963158
"311275"	380.136017	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+H+K"	39.970434
"704428"	560.211417	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+H+K"	39.970434
"1454603"	200.060617	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H+K"	39.970434
"248675"	762.335426	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+ACN+H"	42.033826
"1223569"	402.184626	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+ACN+H"	42.033826
"1206723"	201.595951	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+ACN+2H"	43.041102
"193761"	765.27276	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+2Na-H"	44.97116
"633324"	1125.42356	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+2Na-H"	44.97116
"1139016"	405.12196	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2Na-H"	44.97116
"183765"	383.140018	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+2Na"	45.978436
"616403"	563.215418	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+2Na"	45.978436
"1122096"	203.064618	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2Na"	45.978436
"1409265"	135.712170666667	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H+2Na"	46.985712
"1440285"	407.163546	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H+HCOOH"	47.012746
"226335"	388.17304	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+3H2O+2H"	56.04448
"1514396"	421.21559	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+IsoProp+H"	61.06479
"415176"	391.126988	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+Na+K"	61.952376
"775077"	571.202388	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+Na+K"	61.952376
"1670311"	211.051588	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Na+K"	61.952376
"256834"	784.317368	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+ACN+Na"	64.015768
"1232459"	424.166568	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+ACN+Na"	64.015768
"1718431"	424.190093	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+NH4+HCOOH"	64.039293
"1185977"	143.039484666667	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+3Na"	68.967654
"1662439"	429.145488	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Na+HCOOH"	68.994688
"171487"	797.22064	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+2K-H"	76.91904
"612224"	1157.37144	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+2K-H"	76.91904
"1098966"	437.06984	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2K-H"	76.91904
"155656"	399.113958	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"2M+2K"	77.926316
"590843"	579.189358	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"3M+2K"	77.926316
"1075357"	219.038558	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2K"	77.926316
"1104192"	439.084392	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2K+H"	78.933592
"1341670"	439.172007	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+DMSO+H"	79.021207
"1017855"	443.211176	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2ACN+H"	83.060376
"1533793"	444.204808	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+IsoProp+Na+H"	84.054008
"995864"	222.109226	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+2ACN+2H"	84.067652
"1591466"	445.119428	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+K+HCOOH"	84.968628
"1417125"	475.150938	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+H+CF3COOH"	115.000138
"1155069"	242.622501	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+3ACN+2H"	125.094202
"1705715"	492.177485	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+NH4+CF3COOH"	132.026685
"1634357"	497.13288	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+Na+CF3COOH"	136.98208
"1578113"	513.10682	"C13676"	"LY395153"	"C19H24N2O3S"	"360.1508"	"M+K+CF3COOH"	152.95602
"808478"	372.0335	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M"	0
"985294"	353.01511	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-H2O-H"	-19.01839
"77431"	247.015057333333	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M-3H"	-3.021828
"516381"	371.026224	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M-3H"	-3.021828
"889805"	123.003890666667	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-3H"	-3.021828
"6192"	371.026224	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M-2H"	-2.014552
"441011"	557.042974	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M-2H"	-2.014552
"831823"	185.009474	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-2H"	-2.014552
"87922"	743.059724	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M-H"	-1.007276
"527483"	1115.093224	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M-H"	-1.007276
"904190"	371.026224	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-H"	-1.007276
"56377"	760.086271	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M-2H+NH4"	16.019271
"498124"	1132.119771	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M-2H+NH4"	16.019271
"870091"	388.052771	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-2H+NH4"	16.019271
"37268"	765.041666	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M-2H+Na"	20.974666
"475737"	1137.075166	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M-2H+Na"	20.974666
"856818"	393.008166	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-2H+Na"	20.974666
"1626353"	393.008166	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Na-2H"	20.974666
"100692"	389.014563	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M-H+Cl"	33.962126
"538067"	575.031313	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M-H+Cl"	33.962126
"931581"	202.997813	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-H+Cl"	33.962126
"273420"	779.036402	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+Cl"	34.969402
"663652"	1151.069902	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+Cl"	34.969402
"1276055"	407.002902	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Cl"	34.969402
"18615"	781.015606	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M-2H+K"	36.948606
"456228"	1153.049106	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M-2H+K"	36.948606
"833015"	408.982106	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-2H+K"	36.948606
"1566032"	408.982106	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+K-2H"	36.948606
"950633"	417.031694	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-H+HCOOH"	44.998194
"368849"	789.065201	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+HCOOH-H"	44.998201
"348356"	803.080851	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+Hac-H"	59.013851
"1499379"	431.047351	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Hac-H"	59.013851
"970206"	439.013651	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-H+NaCOOH"	66.980151
"124215"	407.002902	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+2Cl"	69.938804
"559765"	593.019652	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+2Cl"	69.938804
"1030752"	220.986152	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2Cl"	69.938804
"1248143"	450.952385	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Br"	78.918885
"1309497"	453.008372	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Cl+HCOOH"	80.974872
"1325901"	474.990329	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Cl+NaCOOH"	102.956829
"916958"	485.019086	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M-H+CF3COOH"	112.985586
"1290753"	520.995764	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Cl+CF3COOH"	148.962264
"1368181"	337.020824	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H-2H2O"	-35.012676
"1385681"	355.0308	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H-H2O"	-17.0027
"283664"	745.074276	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+H"	1.007276
"676572"	1117.107776	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+H"	1.007276
"1354502"	373.040776	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H"	1.007276
"127024"	373.040776	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+2H"	2.014552
"568408"	559.057526	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+2H"	2.014552
"1039753"	187.024026	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2H"	2.014552
"205834"	249.029609333333	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+3H"	3.021828
"646852"	373.040776	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+3H"	3.021828
"1166433"	125.018442666667	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+3H"	3.021828
"429706"	762.100823	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+NH4"	18.033823
"788875"	1134.134323	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+NH4"	18.033823
"1685209"	390.067323	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+NH4"	18.033823
"333492"	381.5540495	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+H+NH4"	19.041099
"726637"	567.5707995	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+H+NH4"	19.041099
"1482644"	195.5372995	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H+NH4"	19.041099
"396949"	767.056218	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+Na"	22.989218
"757229"	1139.089718	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+Na"	22.989218
"1609702"	395.022718	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Na"	22.989218
"329111"	384.031747	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+H+Na"	23.996494
"718004"	570.048497	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+H+Na"	23.996494
"1472553"	198.014997	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H+Na"	23.996494
"1063612"	132.345756666667	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2H+Na"	25.00377
"1268570"	405.066986	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+CH3OH+H"	33.033486
"392501"	783.030158	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+K"	38.963158
"753781"	1155.063658	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+K"	38.963158
"1554450"	410.996658	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+K"	38.963158
"311749"	392.018717	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+H+K"	39.970434
"703080"	578.035467	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+H+K"	39.970434
"1457996"	206.001967	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H+K"	39.970434
"245505"	786.100826	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+ACN+H"	42.033826
"1223315"	414.067326	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+ACN+H"	42.033826
"1205374"	207.537301	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+ACN+2H"	43.041102
"194965"	789.03816	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+2Na-H"	44.97116
"633798"	1161.07166	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+2Na-H"	44.97116
"1136939"	417.00466	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2Na-H"	44.97116
"181323"	395.022718	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+2Na"	45.978436
"613718"	581.039468	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+2Na"	45.978436
"1116859"	209.005968	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2Na"	45.978436
"1401720"	139.673070666667	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H+2Na"	46.985712
"1435293"	419.046246	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H+HCOOH"	47.012746
"223163"	400.05574	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+3H2O+2H"	56.04448
"1509765"	433.09829	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+IsoProp+H"	61.06479
"411638"	403.009688	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+Na+K"	61.952376
"772998"	589.026438	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+Na+K"	61.952376
"1669690"	216.992938	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Na+K"	61.952376
"256576"	808.082768	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+ACN+Na"	64.015768
"1232930"	436.049268	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+ACN+Na"	64.015768
"1716351"	436.072793	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+NH4+HCOOH"	64.039293
"1186087"	147.000384666667	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+3Na"	68.967654
"1662549"	441.028188	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Na+HCOOH"	68.994688
"171597"	820.98604	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+2K-H"	76.91904
"611523"	1193.01954	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+2K-H"	76.91904
"1098586"	448.95254	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2K-H"	76.91904
"154673"	410.996658	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"2M+2K"	77.926316
"590953"	597.013408	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"3M+2K"	77.926316
"1077654"	224.979908	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2K"	77.926316
"1105396"	450.967092	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2K+H"	78.933592
"1341781"	451.054707	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+DMSO+H"	79.021207
"1018816"	455.093876	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2ACN+H"	83.060376
"1533903"	456.087508	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+IsoProp+Na+H"	84.054008
"993788"	228.050576	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+2ACN+2H"	84.067652
"1592669"	457.002128	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+K+HCOOH"	84.968628
"1418328"	487.033638	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+H+CF3COOH"	115.000138
"1156272"	248.563851	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+3ACN+2H"	125.094202
"1705825"	504.060185	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+NH4+CF3COOH"	132.026685
"1636007"	509.01558	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+Na+CF3COOH"	136.98208
"1578223"	524.98952	"C13677"	"4-(N-Maleimido)benzyltrimethylammonium iodide;MBTA"	"C14H17N2O2I"	"372.0335"	"M+K+CF3COOH"	152.95602
"808588"	358.0178	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M"	0
"987956"	338.99941	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-H2O-H"	-19.01839
"78478"	237.671257333333	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M-3H"	-3.021828
"516856"	357.010524	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M-3H"	-3.021828
"893195"	118.331990666667	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-3H"	-3.021828
"7395"	357.010524	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M-2H"	-2.014552
"441850"	536.019424	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M-2H"	-2.014552
"831691"	178.001624	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-2H"	-2.014552
"90218"	715.028324	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M-H"	-1.007276
"529779"	1073.046124	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M-H"	-1.007276
"906487"	357.010524	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-H"	-1.007276
"58674"	732.054871	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M-2H+NH4"	16.019271
"497141"	1090.072671	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M-2H+NH4"	16.019271
"868015"	374.037071	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-2H+NH4"	16.019271
"37378"	737.010266	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M-2H+Na"	20.974666
"482408"	1095.028066	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M-2H+Na"	20.974666
"860209"	378.992466	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-2H+Na"	20.974666
"1630837"	378.992466	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Na-2H"	20.974666
"101897"	374.998863	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M-H+Cl"	33.962126
"541459"	554.007763	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M-H+Cl"	33.962126
"930598"	195.989963	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-H+Cl"	33.962126
"273530"	751.005002	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+Cl"	34.969402
"663034"	1109.022802	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+Cl"	34.969402
"1275072"	392.987202	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Cl"	34.969402
"19818"	752.984206	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M-2H+K"	36.948606
"456338"	1111.002006	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M-2H+K"	36.948606
"833405"	394.966406	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-2H+K"	36.948606
"1566142"	394.966406	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+K-2H"	36.948606
"950743"	403.015994	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-H+HCOOH"	44.998194
"366770"	761.033801	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+HCOOH-H"	44.998201
"348101"	775.049451	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+Hac-H"	59.013851
"1498395"	417.031651	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Hac-H"	59.013851
"968131"	424.997951	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-H+NaCOOH"	66.980151
"123597"	392.987202	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+2Cl"	69.938804
"559875"	571.996102	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+2Cl"	69.938804
"1034873"	213.978302	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2Cl"	69.938804
"1248253"	436.936685	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Br"	78.918885
"1309608"	438.992672	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Cl+HCOOH"	80.974872
"1331479"	460.974629	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Cl+NaCOOH"	102.956829
"916339"	471.003386	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M-H+CF3COOH"	112.985586
"1291591"	506.980064	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Cl+CF3COOH"	148.962264
"1370846"	323.005124	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H-2H2O"	-35.012676
"1386521"	341.0151	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H-H2O"	-17.0027
"285112"	717.042876	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+H"	1.007276
"676440"	1075.060676	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+H"	1.007276
"1352545"	359.025076	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H"	1.007276
"126041"	359.025076	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+2H"	2.014552
"566087"	538.033976	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+2H"	2.014552
"1039865"	180.016176	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2H"	2.014552
"206306"	239.685809333333	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+3H"	3.021828
"646962"	359.025076	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+3H"	3.021828
"1166179"	120.346542666667	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+3H"	3.021828
"428722"	734.069423	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+NH4"	18.033823
"787890"	1092.087223	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+NH4"	18.033823
"1684953"	376.051623	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+NH4"	18.033823
"332503"	367.5383495	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+H+NH4"	19.041099
"724924"	546.5472495	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+H+NH4"	19.041099
"1480930"	188.5294495	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H+NH4"	19.041099
"395965"	739.024818	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+Na"	22.989218
"754266"	1097.042618	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+Na"	22.989218
"1609812"	381.007018	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Na"	22.989218
"329826"	370.016047	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+H+Na"	23.996494
"718842"	549.024947	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+H+Na"	23.996494
"1475945"	191.007147	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H+Na"	23.996494
"1064816"	127.673856666667	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2H+Na"	25.00377
"1266494"	391.051286	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+CH3OH+H"	33.033486
"391999"	754.998758	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+K"	38.963158
"752994"	1113.016558	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+K"	38.963158
"1551401"	396.980958	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+K"	38.963158
"310766"	378.003017	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+H+K"	39.970434
"705012"	557.011917	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+H+K"	39.970434
"1461136"	198.994117	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H+K"	39.970434
"249985"	758.069426	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+ACN+H"	42.033826
"1224885"	400.051626	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+ACN+H"	42.033826
"1209619"	200.529451	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+ACN+2H"	43.041102
"197263"	761.00676	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+2Na-H"	44.97116
"639010"	1119.02456	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+2Na-H"	44.97116
"1142152"	402.98896	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2Na-H"	44.97116
"184714"	381.007018	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+2Na"	45.978436
"614071"	560.015918	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+2Na"	45.978436
"1120129"	201.998118	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2Na"	45.978436
"1405839"	135.001170666667	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H+2Na"	46.985712
"1436860"	405.030546	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H+HCOOH"	47.012746
"221085"	386.04004	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+3H2O+2H"	56.04448
"1510606"	419.08259	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+IsoProp+H"	61.06479
"409558"	388.993988	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+Na+K"	61.952376
"770555"	568.002888	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+Na+K"	61.952376
"1667981"	209.985088	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Na+K"	61.952376
"255228"	780.051368	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+ACN+Na"	64.015768
"1229396"	422.033568	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+ACN+Na"	64.015768
"1716098"	422.057093	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+NH4+HCOOH"	64.039293
"1182189"	142.328484666667	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+3Na"	68.967654
"1662660"	427.012488	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Na+HCOOH"	68.994688
"170614"	792.95464	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+2K-H"	76.91904
"611268"	1150.97244	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+2K-H"	76.91904
"1099185"	434.93684	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2K-H"	76.91904
"153690"	396.980958	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"2M+2K"	77.926316
"591063"	575.989858	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"3M+2K"	77.926316
"1071204"	217.972058	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2K"	77.926316
"1104412"	436.951392	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2K+H"	78.933592
"1341891"	437.039007	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+DMSO+H"	79.021207
"1016982"	441.078176	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2ACN+H"	83.060376
"1535105"	442.071808	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+IsoProp+Na+H"	84.054008
"992804"	221.042726	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+2ACN+2H"	84.067652
"1590591"	442.986428	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+K+HCOOH"	84.968628
"1420625"	473.017938	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+H+CF3COOH"	115.000138
"1148726"	241.556001	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+3ACN+2H"	125.094202
"1705935"	490.044485	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+NH4+CF3COOH"	132.026685
"1637210"	494.99988	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+Na+CF3COOH"	136.98208
"1578333"	510.97382	"C13678"	"4-(N-Maleimido)phenyltrimethylammonium iodide;MPTA"	"C13H15N2O2I"	"358.0178"	"M+K+CF3COOH"	152.95602
"815260"	450.1814	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M"	0
"987701"	431.16301	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-H2O-H"	-19.01839
"76312"	299.113657333333	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M-3H"	-3.021828
"517692"	449.174124	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M-3H"	-3.021828
"888931"	149.053190666667	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-3H"	-3.021828
"945"	449.174124	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M-2H"	-2.014552
"439966"	674.264824	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M-2H"	-2.014552
"831799"	224.083424	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-2H"	-2.014552
"90328"	899.355524	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M-H"	-1.007276
"527702"	1349.536924	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M-H"	-1.007276
"905503"	449.174124	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-H"	-1.007276
"55503"	916.382071	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M-2H+NH4"	16.019271
"496157"	1366.563471	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M-2H+NH4"	16.019271
"865937"	466.200671	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-2H+NH4"	16.019271
"35665"	921.337466	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M-2H+Na"	20.974666
"482518"	1371.518866	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M-2H+Na"	20.974666
"857039"	471.156066	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-2H+Na"	20.974666
"1630948"	471.156066	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Na-2H"	20.974666
"100914"	467.162463	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M-H+Cl"	33.962126
"536102"	692.253163	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M-H+Cl"	33.962126
"931801"	242.071763	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-H+Cl"	33.962126
"273640"	935.332202	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+Cl"	34.969402
"662172"	1385.513602	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+Cl"	34.969402
"1275182"	485.150802	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Cl"	34.969402
"19928"	937.311406	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M-2H+K"	36.948606
"456206"	1387.492806	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M-2H+K"	36.948606
"833518"	487.130006	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-2H+K"	36.948606
"1567346"	487.130006	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+K-2H"	36.948606
"950854"	495.179594	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-H+HCOOH"	44.998194
"364694"	945.361001	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+HCOOH-H"	44.998201
"347846"	959.376651	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+Hac-H"	59.013851
"1493514"	509.195251	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Hac-H"	59.013851
"970428"	517.161551	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-H+NaCOOH"	66.980151
"122979"	485.150802	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+2Cl"	69.938804
"562172"	710.241502	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+2Cl"	69.938804
"1035347"	260.060102	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2Cl"	69.938804
"1253831"	529.100285	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Br"	78.918885
"1309718"	531.156272	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Cl+HCOOH"	80.974872
"1328309"	553.138229	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Cl+NaCOOH"	102.956829
"918272"	563.166986	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M-H+CF3COOH"	112.985586
"1293161"	599.143664	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Cl+CF3COOH"	148.962264
"1371320"	415.168724	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H-2H2O"	-35.012676
"1387724"	433.1787	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H-H2O"	-17.0027
"284128"	901.370076	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+H"	1.007276
"676550"	1351.551476	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+H"	1.007276
"1354358"	451.188676	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H"	1.007276
"127245"	451.188676	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+2H"	2.014552
"566441"	676.279376	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+2H"	2.014552
"1038882"	226.097976	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2H"	2.014552
"207875"	301.128209333333	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+3H"	3.021828
"646344"	451.188676	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+3H"	3.021828
"1167018"	151.067742666667	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+3H"	3.021828
"429926"	918.396623	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+NH4"	18.033823
"789460"	1368.578023	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+NH4"	18.033823
"1683603"	468.215223	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+NH4"	18.033823
"332978"	459.7019495	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+H+NH4"	19.041099
"725033"	684.7926495	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+H+NH4"	19.041099
"1479947"	234.6112495	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H+NH4"	19.041099
"397169"	923.352018	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+Na"	22.989218
"758165"	1373.533418	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+Na"	22.989218
"1603726"	473.170618	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Na"	22.989218
"317773"	462.179647	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+H+Na"	23.996494
"718588"	687.270347	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+H+Na"	23.996494
"1475327"	237.088947	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H+Na"	23.996494
"1064926"	158.395056666667	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2H+Na"	25.00377
"1265511"	483.214886	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+CH3OH+H"	33.033486
"391745"	939.325958	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+K"	38.963158
"752740"	1389.507358	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+K"	38.963158
"1552605"	489.144558	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+K"	38.963158
"310876"	470.166617	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+H+K"	39.970434
"705851"	695.257317	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+H+K"	39.970434
"1461056"	245.075917	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H+K"	39.970434
"248638"	942.396626	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+ACN+H"	42.033826
"1224630"	492.215226	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+ACN+H"	42.033826
"1209362"	246.611251	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+ACN+2H"	43.041102
"198466"	945.33396	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+2Na-H"	44.97116
"639849"	1395.51536	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+2Na-H"	44.97116
"1141168"	495.15256	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2Na-H"	44.97116
"183366"	473.170618	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+2Na"	45.978436
"616733"	698.261318	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+2Na"	45.978436
"1125706"	248.079918	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2Na"	45.978436
"1405949"	165.722370666667	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H+2Na"	46.985712
"1439157"	497.194146	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H+HCOOH"	47.012746
"220708"	478.20364	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+3H2O+2H"	56.04448
"1510717"	511.24619	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+IsoProp+H"	61.06479
"410039"	481.157588	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+Na+K"	61.952376
"770790"	706.248288	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+Na+K"	61.952376
"1666994"	256.066888	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Na+K"	61.952376
"254244"	964.378568	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+ACN+Na"	64.015768
"1228046"	514.197168	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+ACN+Na"	64.015768
"1713534"	514.220693	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+NH4+HCOOH"	64.039293
"1182299"	173.049684666667	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+3Na"	68.967654
"1662770"	519.176088	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Na+HCOOH"	68.994688
"171818"	977.28184	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+2K-H"	76.91904
"611986"	1427.46324	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+2K-H"	76.91904
"1092609"	527.10044	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2K-H"	76.91904
"147239"	489.144558	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"2M+2K"	77.926316
"593360"	714.235258	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"3M+2K"	77.926316
"1073501"	264.053858	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2K"	77.926316
"1107804"	529.114992	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2K+H"	78.933592
"1343096"	529.202607	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+DMSO+H"	79.021207
"1019279"	533.241776	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2ACN+H"	83.060376
"1536310"	534.235408	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+IsoProp+Na+H"	84.054008
"998381"	267.124526	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+2ACN+2H"	84.067652
"1592888"	535.150028	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+K+HCOOH"	84.968628
"1416363"	565.181538	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+H+CF3COOH"	115.000138
"1153211"	287.637801	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+3ACN+2H"	125.094202
"1706045"	582.208085	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+NH4+CF3COOH"	132.026685
"1636227"	587.16348	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+Na+CF3COOH"	136.98208
"1578443"	603.13742	"C13679"	"Bis(3-azidopyridinium)-110-decane perchlorate;DAPA"	"C20H28N82Cl"	"450.1814"	"M+K+CF3COOH"	152.95602
"808808"	416.1471	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M"	0
"985625"	397.12871	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-H2O-H"	-19.01839
"76785"	276.424124	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M-3H"	-3.021828
"515616"	415.139824	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M-3H"	-3.021828
"889044"	137.708424	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-3H"	-3.021828
"8710"	415.139824	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M-2H"	-2.014552
"440329"	623.213374	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M-2H"	-2.014552
"830815"	207.066274	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-2H"	-2.014552
"88252"	831.286924	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M-H"	-1.007276
"527813"	1247.434024	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M-H"	-1.007276
"906707"	415.139824	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-H"	-1.007276
"54520"	848.313471	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M-2H+NH4"	16.019271
"496267"	1264.460571	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M-2H+NH4"	16.019271
"867871"	432.166371	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-2H+NH4"	16.019271
"34316"	853.268866	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M-2H+Na"	20.974666
"482628"	1269.415966	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M-2H+Na"	20.974666
"860429"	437.121766	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-2H+Na"	20.974666
"1632151"	437.121766	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Na-2H"	20.974666
"104304"	433.128163	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M-H+Cl"	33.962126
"538399"	641.201713	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M-H+Cl"	33.962126
"931913"	225.054613	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-H+Cl"	33.962126
"272657"	867.263602	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+Cl"	34.969402
"665077"	1283.410702	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+Cl"	34.969402
"1273469"	451.116502	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Cl"	34.969402
"18945"	869.242806	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M-2H+K"	36.948606
"455908"	1285.389906	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M-2H+K"	36.948606
"832924"	453.095706	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-2H+K"	36.948606
"1560893"	453.095706	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+K-2H"	36.948606
"949871"	461.145294	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-H+HCOOH"	44.998194
"364438"	877.292401	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+HCOOH-H"	44.998201
"347955"	891.308051	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+Hac-H"	59.013851
"1493624"	475.160951	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Hac-H"	59.013851
"960684"	483.127251	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-H+NaCOOH"	66.980151
"124910"	451.116502	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+2Cl"	69.938804
"562282"	659.190052	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+2Cl"	69.938804
"1035458"	243.042952	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2Cl"	69.938804
"1253941"	495.065985	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Br"	78.918885
"1310921"	497.121972	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Cl+HCOOH"	80.974872
"1328419"	519.103929	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Cl+NaCOOH"	102.956829
"917653"	529.132686	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M-H+CF3COOH"	112.985586
"1294000"	565.109364	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Cl+CF3COOH"	148.962264
"1370338"	381.134424	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H-2H2O"	-35.012676
"1386375"	399.1444	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H-H2O"	-17.0027
"284238"	833.301476	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+H"	1.007276
"676660"	1249.448576	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+H"	1.007276
"1352281"	417.154376	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H"	1.007276
"127356"	417.154376	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+2H"	2.014552
"566672"	625.227926	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+2H"	2.014552
"1039722"	209.080826	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2H"	2.014552
"207984"	278.438676	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+3H"	3.021828
"647547"	417.154376	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+3H"	3.021828
"1167127"	139.722976	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+3H"	3.021828
"433681"	850.328023	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+NH4"	18.033823
"788842"	1266.475123	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+NH4"	18.033823
"1683350"	434.180923	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+NH4"	18.033823
"333817"	425.6676495	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+H+NH4"	19.041099
"724416"	633.7411995	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+H+NH4"	19.041099
"1480425"	217.5940995	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H+NH4"	19.041099
"397645"	855.283418	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+Na"	22.989218
"758642"	1271.430518	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+Na"	22.989218
"1603714"	439.136318	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Na"	22.989218
"314724"	428.145347	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+H+Na"	23.996494
"717970"	636.218897	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+H+Na"	23.996494
"1476411"	220.071797	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H+Na"	23.996494
"1065767"	147.05029	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2H+Na"	25.00377
"1268901"	449.180586	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+CH3OH+H"	33.033486
"392668"	871.257358	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+K"	38.963158
"754220"	1287.404458	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+K"	38.963158
"1551257"	455.110258	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+K"	38.963158
"308434"	436.132317	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+H+K"	39.970434
"706327"	644.205867	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+H+K"	39.970434
"1458321"	228.058767	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H+K"	39.970434
"249843"	874.328026	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+ACN+H"	42.033826
"1224742"	458.180926	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+ACN+H"	42.033826
"1207403"	229.594101	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+ACN+2H"	43.041102
"193108"	877.26536	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+2Na-H"	44.97116
"639959"	1293.41246	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+2Na-H"	44.97116
"1143101"	461.11826	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2Na-H"	44.97116
"183838"	439.136318	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+2Na"	45.978436
"619030"	647.209868	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+2Na"	45.978436
"1125452"	231.062768	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2Na"	45.978436
"1406059"	154.377604	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H+2Na"	46.985712
"1439996"	463.159846	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H+HCOOH"	47.012746
"225681"	444.16934	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+3H2O+2H"	56.04448
"1513745"	477.21189	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+IsoProp+H"	61.06479
"413430"	447.123288	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+Na+K"	61.952376
"772602"	655.196838	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+Na+K"	61.952376
"1667469"	239.049738	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Na+K"	61.952376
"252899"	896.309968	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+ACN+Na"	64.015768
"1227793"	480.162868	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+ACN+Na"	64.015768
"1715220"	480.186393	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+NH4+HCOOH"	64.039293
"1181680"	161.704918	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+3Na"	68.967654
"1663973"	485.141788	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Na+HCOOH"	68.994688
"170835"	909.21324	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+2K-H"	76.91904
"611123"	1325.36034	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+2K-H"	76.91904
"1093812"	493.06614	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2K-H"	76.91904
"149535"	455.110258	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"2M+2K"	77.926316
"594563"	663.183808	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"3M+2K"	77.926316
"1073611"	247.036708	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2K"	77.926316
"1106820"	495.080692	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2K+H"	78.933592
"1342112"	495.168307	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+DMSO+H"	79.021207
"1017203"	499.207476	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2ACN+H"	83.060376
"1530953"	500.201108	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+IsoProp+Na+H"	84.054008
"995211"	250.107376	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+2ACN+2H"	84.067652
"1594093"	501.115728	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+K+HCOOH"	84.968628
"1417567"	531.147238	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+H+CF3COOH"	115.000138
"1150042"	270.620651	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+3ACN+2H"	125.094202
"1706155"	548.173785	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+NH4+CF3COOH"	132.026685
"1634636"	553.12918	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+Na+CF3COOH"	136.98208
"1578553"	569.10312	"C13680"	"Lophotoxin"	"C22H24O8"	"416.1471"	"M+K+CF3COOH"	152.95602
"808918"	235.0904	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M"	0
"987193"	216.07201	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-H2O-H"	-19.01839
"77624"	155.719657333333	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M-3H"	-3.021828
"516091"	234.083124	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M-3H"	-3.021828
"891340"	77.3561906666667	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-3H"	-3.021828
"8820"	234.083124	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M-2H"	-2.014552
"442911"	351.628324	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M-2H"	-2.014552
"829465"	116.537924	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-2H"	-2.014552
"86174"	469.173524	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M-H"	-1.007276
"529016"	704.263924	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M-H"	-1.007276
"904630"	234.083124	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-H"	-1.007276
"53536"	486.200071	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M-2H+NH4"	16.019271
"495284"	721.290471	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M-2H+NH4"	16.019271
"867981"	251.109671	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-2H+NH4"	16.019271
"33335"	491.155466	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M-2H+Na"	20.974666
"482738"	726.245866	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M-2H+Na"	20.974666
"860539"	256.065066	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-2H+Na"	20.974666
"1627887"	256.065066	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Na-2H"	20.974666
"104414"	252.071463	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M-H+Cl"	33.962126
"541789"	369.616663	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M-H+Cl"	33.962126
"928743"	134.526263	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-H+Cl"	33.962126
"271673"	505.150202	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+Cl"	34.969402
"664093"	740.240602	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+Cl"	34.969402
"1274430"	270.059802	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Cl"	34.969402
"17961"	507.129406	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M-2H+K"	36.948606
"456220"	742.219806	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M-2H+K"	36.948606
"834224"	272.039006	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-2H+K"	36.948606
"1561003"	272.039006	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+K-2H"	36.948606
"946699"	280.088594	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-H+HCOOH"	44.998194
"362603"	515.179001	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+HCOOH-H"	44.998201
"346970"	529.194651	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+Hac-H"	59.013851
"1493978"	294.104251	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Hac-H"	59.013851
"959337"	302.070551	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-H+NaCOOH"	66.980151
"122835"	270.059802	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+2Cl"	69.938804
"564703"	387.605002	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+2Cl"	69.938804
"1034841"	152.514602	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2Cl"	69.938804
"1254051"	314.009285	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Br"	78.918885
"1311031"	316.065272	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Cl+HCOOH"	80.974872
"1326342"	338.047229	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Cl+NaCOOH"	102.956829
"915212"	348.075986	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M-H+CF3COOH"	112.985586
"1293017"	384.052664	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Cl+CF3COOH"	148.962264
"1367894"	200.077724	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H-2H2O"	-35.012676
"1388673"	218.0877	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H-H2O"	-17.0027
"284713"	471.188076	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+H"	1.007276
"676163"	706.278476	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+H"	1.007276
"1351496"	236.097676	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H"	1.007276
"126007"	236.097676	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+2H"	2.014552
"566539"	353.642876	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+2H"	2.014552
"1038739"	118.552476	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2H"	2.014552
"205543"	157.734209333333	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+3H"	3.021828
"644741"	236.097676	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+3H"	3.021828
"1165051"	79.3707426666667	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+3H"	3.021828
"433063"	488.214623	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+NH4"	18.033823
"787860"	723.305023	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+NH4"	18.033823
"1683462"	253.124223	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+NH4"	18.033823
"333928"	244.6109495	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+H+NH4"	19.041099
"724161"	362.1561495	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+H+NH4"	19.041099
"1480535"	127.0657495	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H+NH4"	19.041099
"398849"	493.170018	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+Na"	22.989218
"756930"	728.260418	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+Na"	22.989218
"1605768"	258.079618	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Na"	22.989218
"315441"	247.088647	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+H+Na"	23.996494
"716985"	364.633847	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+H+Na"	23.996494
"1474090"	129.543447	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H+Na"	23.996494
"1061865"	86.6980566666667	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2H+Na"	25.00377
"1269011"	268.123886	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+CH3OH+H"	33.033486
"391604"	509.143958	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+K"	38.963158
"751502"	744.234358	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+K"	38.963158
"1551003"	274.053558	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+K"	38.963158
"309637"	255.075617	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+H+K"	39.970434
"704616"	372.620817	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+H+K"	39.970434
"1458431"	137.530417	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H+K"	39.970434
"249711"	512.214626	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+ACN+H"	42.033826
"1224366"	277.124226	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+ACN+H"	42.033826
"1208850"	139.065751	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+ACN+2H"	43.041102
"200872"	515.15196	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+2Na-H"	44.97116
"638247"	750.24236	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+2Na-H"	44.97116
"1144305"	280.06156	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2Na-H"	44.97116
"185895"	258.079618	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+2Na"	45.978436
"619140"	375.624818	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+2Na"	45.978436
"1125562"	140.534418	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2Na"	45.978436
"1403982"	94.0253706666667	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H+2Na"	46.985712
"1440836"	282.103146	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H+HCOOH"	47.012746
"225792"	263.11264	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+3H2O+2H"	56.04448
"1510573"	296.15519	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+IsoProp+H"	61.06479
"412446"	266.066588	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+Na+K"	61.952376
"771254"	383.611788	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+Na+K"	61.952376
"1666002"	148.521388	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Na+K"	61.952376
"255194"	534.196568	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+ACN+Na"	64.015768
"1227905"	299.106168	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+ACN+Na"	64.015768
"1713873"	299.129693	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+NH4+HCOOH"	64.039293
"1183249"	101.352684666667	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+3Na"	68.967654
"1662990"	304.085088	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Na+HCOOH"	68.994688
"172692"	547.09984	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+2K-H"	76.91904
"611597"	782.19024	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+2K-H"	76.91904
"1093922"	312.00944	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2K-H"	76.91904
"151832"	274.053558	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"2M+2K"	77.926316
"593580"	391.598758	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"3M+2K"	77.926316
"1081375"	156.508358	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2K"	77.926316
"1112397"	314.023992	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2K+H"	78.933592
"1344409"	314.111607	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+DMSO+H"	79.021207
"1017313"	318.150776	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2ACN+H"	83.060376
"1531064"	319.144408	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+IsoProp+Na+H"	84.054008
"996415"	159.579026	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+2ACN+2H"	84.067652
"1590923"	320.059028	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+K+HCOOH"	84.968628
"1418771"	350.090538	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+H+CF3COOH"	115.000138
"1150152"	180.092301	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+3ACN+2H"	125.094202
"1702985"	367.117085	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+NH4+CF3COOH"	132.026685
"1634422"	372.07248	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+Na+CF3COOH"	136.98208
"1578663"	388.04642	"C13681"	"p-NN-(Dimethylamino)phenyldiazonium fluoroborate;4-Dimethylaminobenzenediazonium fluoroborate"	"C8H10N3BF4"	"235.0904"	"M+K+CF3COOH"	152.95602
"809028"	275.1521	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M"	0
"989003"	256.13371	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-H2O-H"	-19.01839
"77613"	182.427457333333	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M-3H"	-3.021828
"517660"	274.144824	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M-3H"	-3.021828
"893636"	90.7100906666667	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-3H"	-3.021828
"8930"	274.144824	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M-2H"	-2.014552
"444114"	411.720874	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M-2H"	-2.014552
"831033"	136.568774	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-2H"	-2.014552
"86284"	549.296924	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M-H"	-1.007276
"530219"	824.449024	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M-H"	-1.007276
"904740"	274.144824	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-H"	-1.007276
"53647"	566.323471	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M-2H+NH4"	16.019271
"497581"	841.475571	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M-2H+NH4"	16.019271
"868455"	291.171371	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-2H+NH4"	16.019271
"33808"	571.278866	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M-2H+Na"	20.974666
"482848"	846.430966	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M-2H+Na"	20.974666
"860649"	296.126766	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-2H+Na"	20.974666
"1627997"	296.126766	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Na-2H"	20.974666
"104524"	292.133163	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M-H+Cl"	33.962126
"541899"	429.709213	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M-H+Cl"	33.962126
"929946"	154.557113	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-H+Cl"	33.962126
"273970"	585.273602	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+Cl"	34.969402
"663474"	860.425702	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+Cl"	34.969402
"1276606"	310.121502	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Cl"	34.969402
"20257"	587.252806	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M-2H+K"	36.948606
"456896"	862.404906	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M-2H+K"	36.948606
"835791"	312.100706	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-2H+K"	36.948606
"1563299"	312.100706	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+K-2H"	36.948606
"946808"	320.150294	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-H+HCOOH"	44.998194
"363564"	595.302401	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+HCOOH-H"	44.998201
"347443"	609.318051	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+Hac-H"	59.013851
"1493965"	334.165951	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Hac-H"	59.013851
"961632"	342.132251	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-H+NaCOOH"	66.980151
"124038"	310.121502	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+2Cl"	69.938804
"561409"	447.697552	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+2Cl"	69.938804
"1034585"	172.545452	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2Cl"	69.938804
"1253068"	354.070985	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Br"	78.918885
"1308588"	356.126972	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Cl+HCOOH"	80.974872
"1327546"	378.108929	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Cl+NaCOOH"	102.956829
"916050"	388.137686	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M-H+CF3COOH"	112.985586
"1292398"	424.114364	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Cl+CF3COOH"	148.962264
"1368368"	240.139424	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H-2H2O"	-35.012676
"1386595"	258.1494	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H-H2O"	-17.0027
"284821"	551.311476	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+H"	1.007276
"677972"	826.463576	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+H"	1.007276
"1352132"	276.159376	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H"	1.007276
"126478"	276.159376	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+2H"	2.014552
"567134"	413.735426	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+2H"	2.014552
"1037753"	138.583326	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2H"	2.014552
"204801"	184.442009333333	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+3H"	3.021828
"644849"	276.159376	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+3H"	3.021828
"1163460"	92.7246426666667	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+3H"	3.021828
"426001"	568.338023	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+NH4"	18.033823
"786100"	843.490123	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+NH4"	18.033823
"1683082"	293.185923	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+NH4"	18.033823
"330996"	284.6726495	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+H+NH4"	19.041099
"723006"	422.2486995	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+H+NH4"	19.041099
"1477398"	147.0965995	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H+NH4"	19.041099
"395312"	573.293418	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+Na"	22.989218
"756668"	848.445518	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+Na"	22.989218
"1603322"	298.141318	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Na"	22.989218
"315916"	287.150347	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+H+Na"	23.996494
"716001"	424.726397	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+H+Na"	23.996494
"1475291"	149.574297	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H+Na"	23.996494
"1061973"	100.051956666667	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2H+Na"	25.00377
"1264746"	308.185586	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+CH3OH+H"	33.033486
"392327"	589.267358	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+K"	38.963158
"751977"	864.419458	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+K"	38.963158
"1553300"	314.115258	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+K"	38.963158
"310840"	295.137317	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+H+K"	39.970434
"706674"	432.713367	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+H+K"	39.970434
"1459270"	157.561267	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H+K"	39.970434
"249699"	592.338026	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+ACN+H"	42.033826
"1224352"	317.185926	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+ACN+H"	42.033826
"1207744"	159.096601	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+ACN+2H"	43.041102
"200983"	595.27536	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+2Na-H"	44.97116
"640179"	870.42746	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+2Na-H"	44.97116
"1144414"	320.12326	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2Na-H"	44.97116
"185882"	298.141318	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+2Na"	45.978436
"620343"	435.717368	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+2Na"	45.978436
"1126765"	160.565268	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2Na"	45.978436
"1404092"	107.379270666667	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H+2Na"	46.985712
"1443862"	322.164846	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H+HCOOH"	47.012746
"226996"	303.17434	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+3H2O+2H"	56.04448
"1511777"	336.21689	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+IsoProp+H"	61.06479
"413650"	306.128288	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+Na+K"	61.952376
"770999"	443.704338	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+Na+K"	61.952376
"1666600"	168.552238	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Na+K"	61.952376
"257490"	614.319968	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+ACN+Na"	64.015768
"1230201"	339.167868	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+ACN+Na"	64.015768
"1713740"	339.191393	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+NH4+HCOOH"	64.039293
"1184452"	114.706584666667	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+3Na"	68.967654
"1665044"	344.146788	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Na+HCOOH"	68.994688
"172756"	627.22324	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+2K-H"	76.91904
"610614"	902.37534	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+2K-H"	76.91904
"1096218"	352.07114	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2K-H"	76.91904
"154125"	314.115258	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"2M+2K"	77.926316
"594784"	451.691308	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"3M+2K"	77.926316
"1082580"	176.539208	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2K"	77.926316
"1114693"	354.085692	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2K+H"	78.933592
"1347800"	354.173307	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+DMSO+H"	79.021207
"1018517"	358.212476	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2ACN+H"	83.060376
"1531174"	359.206108	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+IsoProp+Na+H"	84.054008
"999805"	179.609876	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+2ACN+2H"	84.067652
"1588846"	360.120728	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+K+HCOOH"	84.968628
"1415601"	390.152238	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+H+CF3COOH"	115.000138
"1147224"	200.123151	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+3ACN+2H"	125.094202
"1703095"	407.178785	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+NH4+CF3COOH"	132.026685
"1634613"	412.13418	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+Na+CF3COOH"	136.98208
"1578773"	428.10812	"C13682"	"Dihydro-beta-erythroidine"	"C16H21NO3"	"275.1521"	"M+K+CF3COOH"	152.95602
"815698"	283.1936	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M"	0
"985953"	264.17521	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-H2O-H"	-19.01839
"75291"	187.788457333333	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M-3H"	-3.021828
"517039"	282.186324	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M-3H"	-3.021828
"894598"	93.3905906666667	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-3H"	-3.021828
"10134"	282.186324	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M-2H"	-2.014552
"447505"	423.783124	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M-2H"	-2.014552
"829684"	140.589524	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-2H"	-2.014552
"86394"	565.379924	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M-H"	-1.007276
"527048"	848.573524	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M-H"	-1.007276
"902663"	282.186324	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-H"	-1.007276
"54850"	582.406471	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M-2H+NH4"	16.019271
"493316"	865.600071	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M-2H+NH4"	16.019271
"868565"	299.212871	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-2H+NH4"	16.019271
"34403"	587.361866	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M-2H+Na"	20.974666
"485753"	870.555466	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M-2H+Na"	20.974666
"858572"	304.168266	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-2H+Na"	20.974666
"1631387"	304.168266	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Na-2H"	20.974666
"104634"	300.174663	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M-H+Cl"	33.962126
"542009"	441.771463	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M-H+Cl"	33.962126
"930056"	158.577863	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-H+Cl"	33.962126
"273351"	601.356602	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+Cl"	34.969402
"664313"	884.550202	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+Cl"	34.969402
"1276716"	318.163002	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Cl"	34.969402
"22554"	603.335806	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M-2H+K"	36.948606
"458830"	886.529406	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M-2H+K"	36.948606
"835901"	320.142206	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-2H+K"	36.948606
"1559032"	320.142206	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+K-2H"	36.948606
"948011"	328.191794	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-H+HCOOH"	44.998194
"364767"	611.385401	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+HCOOH-H"	44.998201
"347918"	625.401051	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+Hac-H"	59.013851
"1493953"	342.207451	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Hac-H"	59.013851
"961012"	350.173751	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-H+NaCOOH"	66.980151
"120864"	318.163002	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+2Cl"	69.938804
"560423"	459.759802	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+2Cl"	69.938804
"1027038"	176.566202	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2Cl"	69.938804
"1248071"	362.112485	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Br"	78.918885
"1311248"	364.168472	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Cl+HCOOH"	80.974872
"1325101"	386.150429	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Cl+NaCOOH"	102.956829
"912148"	396.179186	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M-H+CF3COOH"	112.985586
"1289458"	432.155864	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Cl+CF3COOH"	148.962264
"1368836"	248.180924	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H-2H2O"	-35.012676
"1384876"	266.1909	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H-H2O"	-17.0027
"284321"	567.394476	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+H"	1.007276
"678446"	850.588076	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+H"	1.007276
"1352971"	284.200876	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H"	1.007276
"126710"	284.200876	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+2H"	2.014552
"566272"	425.797676	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+2H"	2.014552
"1040414"	142.604076	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2H"	2.014552
"207221"	189.803009333333	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+3H"	3.021828
"645446"	284.200876	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+3H"	3.021828
"1164179"	95.4051426666667	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+3H"	3.021828
"427085"	584.421023	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+NH4"	18.033823
"786984"	867.614623	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+NH4"	18.033823
"1685870"	301.227423	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+NH4"	18.033823
"333054"	292.7141495	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+H+NH4"	19.041099
"724744"	434.3109495	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+H+NH4"	19.041099
"1480750"	151.1173495	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H+NH4"	19.041099
"394936"	589.376418	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+Na"	22.989218
"757146"	872.570018	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+Na"	22.989218
"1604155"	306.182818	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Na"	22.989218
"317120"	295.191847	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+H+Na"	23.996494
"712824"	436.788647	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+H+Na"	23.996494
"1475399"	153.595047	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H+Na"	23.996494
"1063175"	102.732456666667	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2H+Na"	25.00377
"1270322"	316.227086	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+CH3OH+H"	33.033486
"391086"	605.350358	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+K"	38.963158
"743333"	888.543958	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+K"	38.963158
"1542833"	322.156758	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+K"	38.963158
"313136"	303.178817	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+H+K"	39.970434
"705202"	444.775617	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+H+K"	39.970434
"1459744"	161.582017	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H+K"	39.970434
"247255"	608.421026	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+ACN+H"	42.033826
"1221057"	325.227426	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+ACN+H"	42.033826
"1206032"	163.117351	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+ACN+2H"	43.041102
"194532"	611.35836	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+2Na-H"	44.97116
"636279"	894.55196	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+2Na-H"	44.97116
"1139784"	328.16476	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2Na-H"	44.97116
"184168"	306.182818	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+2Na"	45.978436
"617170"	447.779618	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+2Na"	45.978436
"1119583"	164.586018	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2Na"	45.978436
"1404200"	110.059770666667	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H+2Na"	46.985712
"1441781"	330.206346	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H+HCOOH"	47.012746
"229288"	311.21584	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+3H2O+2H"	56.04448
"1511884"	344.25839	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+IsoProp+H"	61.06479
"412659"	314.169788	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+Na+K"	61.952376
"773655"	455.766588	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+Na+K"	61.952376
"1667190"	172.572988	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Na+K"	61.952376
"253589"	630.402968	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+ACN+Na"	64.015768
"1228122"	347.209368	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+ACN+Na"	64.015768
"1714825"	347.232893	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+NH4+HCOOH"	64.039293
"1183467"	117.387084666667	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+3Na"	68.967654
"1661022"	352.188288	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Na+HCOOH"	68.994688
"165696"	643.30624	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+2K-H"	76.91904
"603069"	926.49984	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+2K-H"	76.91904
"1093046"	360.11264	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2K-H"	76.91904
"148770"	322.156758	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"2M+2K"	77.926316
"589420"	463.753558	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"3M+2K"	77.926316
"1075034"	180.559958	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2K"	77.926316
"1109336"	362.127192	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2K+H"	78.933592
"1347907"	362.214807	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+DMSO+H"	79.021207
"1013155"	366.253976	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2ACN+H"	83.060376
"1537124"	367.247608	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+IsoProp+Na+H"	84.054008
"999915"	183.630626	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+2ACN+2H"	84.067652
"1593326"	368.162228	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+K+HCOOH"	84.968628
"1421174"	398.193738	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+H+CF3COOH"	115.000138
"1150368"	204.143901	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+3ACN+2H"	125.094202
"1697737"	415.220285	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+NH4+CF3COOH"	132.026685
"1634184"	420.17568	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+Na+CF3COOH"	136.98208
"1578883"	436.14962	"C13683"	"Histrionicotoxin"	"C19H25NO"	"283.1936"	"M+K+CF3COOH"	152.95602
"809248"	460.1565	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M"	0
"989745"	441.13811	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-H2O-H"	-19.01839
"76495"	305.763724	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M-3H"	-3.021828
"518410"	459.149224	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M-3H"	-3.021828
"892763"	152.378224	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-3H"	-3.021828
"10244"	459.149224	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M-2H"	-2.014552
"446521"	689.227474	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M-2H"	-2.014552
"829794"	229.070974	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-2H"	-2.014552
"87597"	919.305724	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M-H"	-1.007276
"524971"	1379.462224	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M-H"	-1.007276
"903866"	459.149224	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-H"	-1.007276
"51680"	936.332271	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M-2H+NH4"	16.019271
"493426"	1396.488771	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M-2H+NH4"	16.019271
"868310"	476.175771	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-2H+NH4"	16.019271
"35120"	941.287666	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M-2H+Na"	20.974666
"483068"	1401.444166	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M-2H+Na"	20.974666
"860869"	481.131166	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-2H+Na"	20.974666
"1627124"	481.131166	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Na-2H"	20.974666
"99277"	477.137563	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M-H+Cl"	33.962126
"538839"	707.215813	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M-H+Cl"	33.962126
"929435"	247.059313	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-H+Cl"	33.962126
"274190"	955.282402	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+Cl"	34.969402
"662237"	1415.438902	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+Cl"	34.969402
"1275733"	495.125902	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Cl"	34.969402
"22664"	957.261606	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M-2H+K"	36.948606
"457847"	1417.418106	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M-2H+K"	36.948606
"834918"	497.105106	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-2H+K"	36.948606
"1559142"	497.105106	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+K-2H"	36.948606
"946661"	505.154694	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-H+HCOOH"	44.998194
"362689"	965.311201	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+HCOOH-H"	44.998201
"345916"	979.326851	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+Hac-H"	59.013851
"1493088"	519.170351	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Hac-H"	59.013851
"958515"	527.136651	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-H+NaCOOH"	66.980151
"120974"	495.125902	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+2Cl"	69.938804
"560533"	725.204152	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+2Cl"	69.938804
"1028242"	265.047652	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2Cl"	69.938804
"1248182"	539.075385	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Br"	78.918885
"1307349"	541.131372	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Cl+HCOOH"	80.974872
"1322295"	563.113329	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Cl+NaCOOH"	102.956829
"912014"	573.142086	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M-H+CF3COOH"	112.985586
"1288846"	609.118764	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Cl+CF3COOH"	148.962264
"1367851"	425.143824	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H-2H2O"	-35.012676
"1383080"	443.1538	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H-H2O"	-17.0027
"283216"	921.320276	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+H"	1.007276
"676488"	1381.476776	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+H"	1.007276
"1351781"	461.163776	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H"	1.007276
"127428"	461.163776	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+2H"	2.014552
"566260"	691.242026	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+2H"	2.014552
"1038701"	231.085526	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2H"	2.014552
"205509"	307.778276	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+3H"	3.021828
"646163"	461.163776	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+3H"	3.021828
"1163923"	154.392776	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+3H"	3.021828
"428289"	938.346823	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+NH4"	18.033823
"788919"	1398.503323	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+NH4"	18.033823
"1685980"	478.190323	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+NH4"	18.033823
"332071"	469.6770495	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+H+NH4"	19.041099
"724490"	699.7552995	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+H+NH4"	19.041099
"1478313"	239.5987995	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H+NH4"	19.041099
"393710"	943.302218	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+Na"	22.989218
"755435"	1403.458718	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+Na"	22.989218
"1603660"	483.145718	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Na"	22.989218
"316501"	472.154747	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+H+Na"	23.996494
"710018"	702.232997	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+H+Na"	23.996494
"1474416"	242.076497	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H+Na"	23.996494
"1063285"	161.72009	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2H+Na"	25.00377
"1270432"	493.189986	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+CH3OH+H"	33.033486
"385729"	959.276158	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+K"	38.963158
"742350"	1419.432658	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+K"	38.963158
"1542579"	499.119658	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+K"	38.963158
"310330"	480.141717	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+H+K"	39.970434
"706998"	710.219967	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+H+K"	39.970434
"1457668"	250.063467	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H+K"	39.970434
"246272"	962.346826	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+ACN+H"	42.033826
"1220074"	502.190326	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+ACN+H"	42.033826
"1206141"	251.598801	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+ACN+2H"	43.041102
"195736"	965.28416	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+2Na-H"	44.97116
"635297"	1425.44066	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+2Na-H"	44.97116
"1140988"	505.12766	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2Na-H"	44.97116
"185372"	483.145718	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+2Na"	45.978436
"620561"	713.223968	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+2Na"	45.978436
"1117140"	253.067468	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2Na"	45.978436
"1404310"	169.047404	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H+2Na"	46.985712
"1438611"	507.169246	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H+HCOOH"	47.012746
"229398"	488.17874	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+3H2O+2H"	56.04448
"1513086"	521.22129	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+IsoProp+H"	61.06479
"412041"	491.132688	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+Na+K"	61.952376
"772671"	721.210938	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+Na+K"	61.952376
"1666572"	261.054438	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Na+K"	61.952376
"252970"	984.328768	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+ACN+Na"	64.015768
"1230419"	524.172268	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+ACN+Na"	64.015768
"1713477"	524.195793	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+NH4+HCOOH"	64.039293
"1183576"	176.374718	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+3Na"	68.967654
"1655660"	529.151188	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Na+HCOOH"	68.994688
"166899"	997.23204	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+2K-H"	76.91904
"604272"	1457.38854	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+2K-H"	76.91904
"1093156"	537.07554	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2K-H"	76.91904
"151066"	499.119658	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"2M+2K"	77.926316
"589530"	729.197908	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"3M+2K"	77.926316
"1078424"	269.041408	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2K"	77.926316
"1113819"	539.090092	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2K+H"	78.933592
"1348017"	539.177707	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+DMSO+H"	79.021207
"1019829"	543.216876	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2ACN+H"	83.060376
"1539048"	544.210508	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+IsoProp+Na+H"	84.054008
"1001119"	272.112076	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+2ACN+2H"	84.067652
"1591252"	545.125128	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+K+HCOOH"	84.968628
"1416912"	575.156638	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+H+CF3COOH"	115.000138
"1149388"	292.625351	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+3ACN+2H"	125.094202
"1697118"	592.183185	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+NH4+CF3COOH"	132.026685
"1635318"	597.13858	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+Na+CF3COOH"	136.98208
"1582273"	613.11252	"C13684"	"Clindamycin hydrochloride"	"C18H33ClN2O5SHCl"	"460.1565"	"M+K+CF3COOH"	152.95602
"809358"	214.0994	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M"	0
"985079"	195.08101	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"73323"	141.725657333333	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"512884"	213.092124	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"888498"	70.3591906666667	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"9259"	213.092124	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"446631"	320.141824	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"826625"	106.042424	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"88800"	427.191524	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"526174"	641.290924	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"903975"	213.092124	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"51790"	444.218071	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"494630"	658.317471	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"869151"	230.118671	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"32071"	449.173466	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"483178"	663.272866	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"860979"	235.074066	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1628327"	235.074066	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"101574"	231.080463	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"538949"	338.130163	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"931368"	124.030763	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"271018"	463.168202	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"664533"	677.267602	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1275843"	249.068802	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"15963"	465.147406	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"456375"	679.246806	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"833206"	251.048006	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1555695"	251.048006	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"942999"	259.097594	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"362066"	473.197001	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"348866"	487.212651	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1493324"	273.113251	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"958715"	281.079551	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"121084"	249.068802	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"560643"	356.118502	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1029445"	142.019102	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1253395"	293.018285	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1307459"	295.074272	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1326780"	317.056229	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"914556"	327.084986	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1288914"	363.061664	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1367468"	179.086724	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1382793"	197.0967	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"282848"	429.206076	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"675713"	643.305476	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1351444"	215.106676	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"126807"	215.106676	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"567465"	322.156376	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1038446"	108.056976	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"204891"	143.740209333333	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"644449"	215.106676	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1165127"	72.3737426666667	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"426212"	446.232623	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"788300"	660.332023	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1688278"	232.133223	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"334368"	223.6199495	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"726788"	330.6696495	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1479880"	116.5702495	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"394914"	451.188018	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"757005"	665.287418	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1604013"	237.088618	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"314576"	226.097647	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"710857"	333.147347	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1471243"	119.047947	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1061208"	79.7010566666667	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1267262"	247.132886	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"388024"	467.161958	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"745740"	681.261358	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1543418"	253.062558	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"311534"	234.084617	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"702863"	341.134317	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1457777"	127.034917	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"249661"	470.232626	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1217993"	256.133226	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1199690"	128.570251	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"199126"	473.16996	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"638687"	687.26936	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1143285"	259.07056	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"181107"	237.088618	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"618485"	344.138318	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1118710"	130.038918	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1403327"	87.0283706666667	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1435441"	261.112146	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"230602"	242.12164	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1513197"	275.16419	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"412881"	245.075588	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"773875"	352.125288	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1666559"	138.025888	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"253080"	492.214568	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1227250"	278.115168	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1713221"	278.138693	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1183686"	94.3556846666667	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1660143"	283.094088	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"168102"	505.11784	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"606568"	719.21724	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1095453"	291.01844	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"148989"	253.062558	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"588547"	360.112258	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1080721"	146.012858	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1111742"	293.032992	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1348006"	293.120607	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1019938"	297.159776	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1536972"	298.153408	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"994669"	149.083526	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1595737"	299.068028	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1417386"	329.099538	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1149133"	169.596801	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1698321"	346.126085	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1635062"	351.08148	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1582383"	367.05542	"C13687"	"Cunaniol"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"809468"	159.1008	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M"	0
"985189"	140.08241	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-H2O-H"	-19.01839
"70153"	105.059924	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M-3H"	-3.021828
"512994"	158.093524	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M-3H"	-3.021828
"886421"	52.026324	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-3H"	-3.021828
"10462"	158.093524	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M-2H"	-2.014552
"446741"	237.643924	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M-2H"	-2.014552
"828921"	78.543124	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-2H"	-2.014552
"88910"	317.194324	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M-H"	-1.007276
"526284"	476.295124	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M-H"	-1.007276
"900805"	158.093524	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-H"	-1.007276
"51900"	334.220871	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M-2H+NH4"	16.019271
"489633"	493.321671	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M-2H+NH4"	16.019271
"867071"	175.120071	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-2H+NH4"	16.019271
"32303"	339.176266	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M-2H+Na"	20.974666
"483288"	498.277066	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M-2H+Na"	20.974666
"861089"	180.075466	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-2H+Na"	20.974666
"1628434"	180.075466	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Na-2H"	20.974666
"101684"	176.081863	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M-H+Cl"	33.962126
"545619"	255.632263	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M-H+Cl"	33.962126
"929654"	96.531463	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-H+Cl"	33.962126
"267844"	353.171002	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+Cl"	34.969402
"661605"	512.271802	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+Cl"	34.969402
"1272836"	194.070202	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Cl"	34.969402
"15990"	355.150206	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M-2H+K"	36.948606
"455806"	514.251006	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M-2H+K"	36.948606
"833234"	196.049406	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-2H+K"	36.948606
"1555827"	196.049406	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+K-2H"	36.948606
"943957"	204.098994	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-H+HCOOH"	44.998194
"362172"	363.199801	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+HCOOH-H"	44.998201
"345716"	377.215451	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+Hac-H"	59.013851
"1492901"	218.114651	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Hac-H"	59.013851
"958504"	226.080951	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-H+NaCOOH"	66.980151
"117913"	194.070202	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+2Cl"	69.938804
"554556"	273.620602	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+2Cl"	69.938804
"1028825"	114.519802	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2Cl"	69.938804
"1251318"	238.019685	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Br"	78.918885
"1309027"	240.075672	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Cl+HCOOH"	80.974872
"1325431"	262.057629	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Cl+NaCOOH"	102.956829
"912110"	272.086386	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M-H+CF3COOH"	112.985586
"1288610"	308.063064	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Cl+CF3COOH"	148.962264
"1367739"	124.088124	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H-2H2O"	-35.012676
"1382971"	142.0981	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H-H2O"	-17.0027
"283178"	319.208876	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+H"	1.007276
"675933"	478.309676	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+H"	1.007276
"1351588"	160.108076	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H"	1.007276
"125799"	160.108076	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+2H"	2.014552
"566715"	239.658476	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+2H"	2.014552
"1038068"	80.557676	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2H"	2.014552
"204549"	107.074476	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+3H"	3.021828
"644633"	160.108076	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+3H"	3.021828
"1163408"	54.040876	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+3H"	3.021828
"425711"	336.235423	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+NH4"	18.033823
"788045"	495.336223	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+NH4"	18.033823
"1686200"	177.134623	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+NH4"	18.033823
"332291"	168.6213495	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+H+NH4"	19.041099
"724709"	248.1717495	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+H+NH4"	19.041099
"1479987"	89.0709495	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H+NH4"	19.041099
"395750"	341.190818	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+Na"	22.989218
"754806"	500.291618	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+Na"	22.989218
"1604365"	182.090018	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Na"	22.989218
"314647"	171.099047	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+H+Na"	23.996494
"710967"	250.649447	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+H+Na"	23.996494
"1469166"	91.548647	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H+Na"	23.996494
"1059131"	61.36819	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2H+Na"	25.00377
"1269558"	192.134286	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+CH3OH+H"	33.033486
"384853"	357.164758	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+K"	38.963158
"744754"	516.265558	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+K"	38.963158
"1543528"	198.063958	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+K"	38.963158
"310548"	179.086017	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+H+K"	39.970434
"701879"	258.636417	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+H+K"	39.970434
"1457887"	99.535617	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H+K"	39.970434
"249770"	360.235426	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+ACN+H"	42.033826
"1220290"	201.134626	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+ACN+H"	42.033826
"1196520"	101.070951	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+ACN+2H"	43.041102
"198142"	363.17276	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+2Na-H"	44.97116
"637704"	522.27356	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+2Na-H"	44.97116
"1141208"	204.07196	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2Na-H"	44.97116
"180124"	182.090018	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+2Na"	45.978436
"619688"	261.640418	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+2Na"	45.978436
"1119184"	102.539618	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2Na"	45.978436
"1402707"	68.695504	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H+2Na"	46.985712
"1430448"	206.113546	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H+HCOOH"	47.012746
"230712"	187.12304	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+3H2O+2H"	56.04448
"1513305"	220.16559	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+IsoProp+H"	61.06479
"411532"	190.076988	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+Na+K"	61.952376
"772892"	269.627388	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+Na+K"	61.952376
"1667032"	110.526588	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Na+K"	61.952376
"253188"	382.217368	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+ACN+Na"	64.015768
"1228083"	223.116568	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+ACN+Na"	64.015768
"1715511"	223.140093	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+NH4+HCOOH"	64.039293
"1182338"	76.022818	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+3Na"	68.967654
"1661346"	228.095488	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Na+HCOOH"	68.994688
"166025"	395.12064	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+2K-H"	76.91904
"608864"	554.22144	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+2K-H"	76.91904
"1095562"	236.01984	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2K-H"	76.91904
"151285"	198.063958	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"2M+2K"	77.926316
"587563"	277.614358	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"3M+2K"	77.926316
"1080831"	118.513558	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2K"	77.926316
"1111853"	238.034392	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2K+H"	78.933592
"1348237"	238.122007	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+DMSO+H"	79.021207
"1019927"	242.161176	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2ACN+H"	83.060376
"1537082"	243.154808	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+IsoProp+Na+H"	84.054008
"992592"	121.584226	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+2ACN+2H"	84.067652
"1595847"	244.069428	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+K+HCOOH"	84.968628
"1417131"	274.100938	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+H+CF3COOH"	115.000138
"1149608"	142.097501	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+3ACN+2H"	125.094202
"1698795"	291.127485	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+NH4+CF3COOH"	132.026685
"1635172"	296.08288	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+Na+CF3COOH"	136.98208
"1582493"	312.05682	"C13688"	"delta-Guanidinovaleric acid"	"C6H13N3O2"	"159.1008"	"M+K+CF3COOH"	152.95602
"809578"	219.9709	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M"	0
"983112"	200.95251	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-H2O-H"	-19.01839
"70263"	145.639990666667	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M-3H"	-3.021828
"513104"	218.963624	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M-3H"	-3.021828
"886531"	72.3163573333333	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-3H"	-3.021828
"12394"	218.963624	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M-2H"	-2.014552
"446851"	328.949074	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M-2H"	-2.014552
"826843"	108.978174	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-2H"	-2.014552
"85740"	438.934524	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M-H"	-1.007276
"526394"	658.905424	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M-H"	-1.007276
"900915"	218.963624	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-H"	-1.007276
"51273"	455.961071	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M-2H+NH4"	16.019271
"490107"	675.931971	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M-2H+NH4"	16.019271
"869002"	235.990171	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-2H+NH4"	16.019271
"32901"	460.916466	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M-2H+Na"	20.974666
"483398"	680.887366	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M-2H+Na"	20.974666
"861199"	240.945566	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-2H+Na"	20.974666
"1628544"	240.945566	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Na-2H"	20.974666
"105074"	236.951963	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M-H+Cl"	33.962126
"543543"	346.937413	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M-H+Cl"	33.962126
"927941"	126.966513	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-H+Cl"	33.962126
"268078"	474.911202	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+Cl"	34.969402
"661471"	694.882102	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+Cl"	34.969402
"1274236"	254.940302	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Cl"	34.969402
"18614"	476.890406	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M-2H+K"	36.948606
"456026"	696.861306	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M-2H+K"	36.948606
"833548"	256.919506	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-2H+K"	36.948606
"1555939"	256.919506	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+K-2H"	36.948606
"943214"	264.969094	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-H+HCOOH"	44.998194
"362649"	484.940001	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+HCOOH-H"	44.998201
"346042"	498.955651	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+Hac-H"	59.013851
"1494024"	278.984751	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Hac-H"	59.013851
"958895"	286.951051	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-H+NaCOOH"	66.980151
"117294"	254.940302	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+2Cl"	69.938804
"556489"	364.925752	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+2Cl"	69.938804
"1024197"	144.954852	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2Cl"	69.938804
"1248512"	298.889785	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Br"	78.918885
"1306950"	300.945772	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Cl+HCOOH"	80.974872
"1322625"	322.927729	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Cl+NaCOOH"	102.956829
"912345"	332.956486	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M-H+CF3COOH"	112.985586
"1288560"	368.933164	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Cl+CF3COOH"	148.962264
"1367125"	184.958224	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H-2H2O"	-35.012676
"1384223"	202.9682	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H-H2O"	-17.0027
"283299"	440.949076	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+H"	1.007276
"676449"	660.919976	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+H"	1.007276
"1352192"	220.978176	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H"	1.007276
"127392"	220.978176	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+2H"	2.014552
"567068"	330.963626	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+2H"	2.014552
"1038667"	110.992726	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2H"	2.014552
"205840"	147.654542666667	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+3H"	3.021828
"645398"	220.978176	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+3H"	3.021828
"1165710"	74.3309093333333	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+3H"	3.021828
"426793"	457.975623	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+NH4"	18.033823
"790342"	677.946523	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+NH4"	18.033823
"1685580"	238.004723	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+NH4"	18.033823
"332031"	229.4914495	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+H+NH4"	19.041099
"725547"	339.4768995	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+H+NH4"	19.041099
"1479732"	119.5059995	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H+NH4"	19.041099
"396225"	462.931018	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+Na"	22.989218
"754793"	682.901918	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+Na"	22.989218
"1603056"	242.960118	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Na"	22.989218
"316825"	231.969147	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+H+Na"	23.996494
"711077"	341.954597	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+H+Na"	23.996494
"1472556"	121.983697	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H+Na"	23.996494
"1059241"	81.6582233333333	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2H+Na"	25.00377
"1268575"	253.004386	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+CH3OH+H"	33.033486
"388244"	478.904958	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+K"	38.963158
"750332"	698.875858	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+K"	38.963158
"1545821"	258.934058	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+K"	38.963158
"309565"	239.956117	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+H+K"	39.970434
"697610"	349.941567	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+H+K"	39.970434
"1459090"	129.970667	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H+K"	39.970434
"241131"	481.975626	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+ACN+H"	42.033826
"1216027"	262.004726	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+ACN+H"	42.033826
"1198813"	131.506001	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+ACN+2H"	43.041102
"198249"	484.91296	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+2Na-H"	44.97116
"634530"	704.88386	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+2Na-H"	44.97116
"1141319"	264.94206	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2Na-H"	44.97116
"181327"	242.960118	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+2Na"	45.978436
"619798"	352.945568	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+2Na"	45.978436
"1121482"	132.974668	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2Na"	45.978436
"1402453"	88.9855373333333	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H+2Na"	46.985712
"1431286"	266.983646	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H+HCOOH"	47.012746
"230822"	247.99314	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+3H2O+2H"	56.04448
"1511228"	281.03569	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+IsoProp+H"	61.06479
"411640"	250.947088	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+Na+K"	61.952376
"771177"	360.932538	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+Na+K"	61.952376
"1666780"	140.961638	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Na+K"	61.952376
"253298"	503.957568	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+ACN+Na"	64.015768
"1227100"	283.986668	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+ACN+Na"	64.015768
"1714892"	284.010193	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+NH4+HCOOH"	64.039293
"1181355"	96.3128513333333	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+3Na"	68.967654
"1657083"	288.965588	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Na+HCOOH"	68.994688
"167228"	516.86084	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+2K-H"	76.91904
"608974"	736.83174	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+2K-H"	76.91904
"1093486"	296.88994	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2K-H"	76.91904
"151396"	258.934058	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"2M+2K"	77.926316
"588767"	368.919508	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"3M+2K"	77.926316
"1083007"	148.948608	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2K"	77.926316
"1115247"	298.904492	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2K+H"	78.933592
"1348347"	298.992107	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+DMSO+H"	79.021207
"1020158"	303.031276	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2ACN+H"	83.060376
"1533911"	304.024908	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+IsoProp+Na+H"	84.054008
"990878"	152.019276	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+2ACN+2H"	84.067652
"1588303"	304.939528	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+K+HCOOH"	84.968628
"1415055"	334.971038	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+H+CF3COOH"	115.000138
"1148625"	172.532551	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+3ACN+2H"	125.094202
"1698541"	351.997585	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+NH4+CF3COOH"	132.026685
"1634918"	356.95298	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+Na+CF3COOH"	136.98208
"1582603"	372.92692	"C13689"	"m-Benzenesulfonium diazonium chloride"	"C6H5N2O3SCl"	"219.9709"	"M+K+CF3COOH"	152.95602
"809688"	233.0358	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M"	0
"983222"	214.01741	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-H2O-H"	-19.01839
"72559"	154.349924	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M-3H"	-3.021828
"516493"	232.028524	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M-3H"	-3.021828
"889921"	76.671324	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-3H"	-3.021828
"10681"	232.028524	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H"	-2.014552
"448054"	348.546424	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H"	-2.014552
"829868"	115.510624	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H"	-2.014552
"85850"	465.064324	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M-H"	-1.007276
"526504"	698.100124	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M-H"	-1.007276
"901025"	232.028524	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-H"	-1.007276
"51024"	482.090871	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H+NH4"	16.019271
"490584"	715.126671	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H+NH4"	16.019271
"870571"	249.055071	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H+NH4"	16.019271
"36291"	487.046266	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H+Na"	20.974666
"480227"	720.082066	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H+Na"	20.974666
"858028"	254.010466	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H+Na"	20.974666
"1628654"	254.010466	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na-2H"	20.974666
"105184"	250.016863	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M-H+Cl"	33.962126
"545839"	366.534763	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M-H+Cl"	33.962126
"929511"	133.498963	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+Cl"	33.962126
"269161"	501.041002	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Cl"	34.969402
"661582"	734.076802	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+Cl"	34.969402
"1273859"	268.005202	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl"	34.969402
"16658"	503.020206	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H+K"	36.948606
"456096"	736.056006	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H+K"	36.948606
"834266"	269.984406	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H+K"	36.948606
"1556295"	269.984406	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+K-2H"	36.948606
"943449"	278.033994	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+HCOOH"	44.998194
"361787"	511.069801	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+HCOOH-H"	44.998201
"346638"	525.085451	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Hac-H"	59.013851
"1493041"	292.049651	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Hac-H"	59.013851
"958764"	300.015951	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+NaCOOH"	66.980151
"113758"	268.005202	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2Cl"	69.938804
"553317"	384.523102	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2Cl"	69.938804
"1024670"	151.487302	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2Cl"	69.938804
"1245340"	311.954685	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Br"	78.918885
"1307424"	314.010672	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl+HCOOH"	80.974872
"1320546"	335.992629	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl+NaCOOH"	102.956829
"911844"	346.021386	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+CF3COOH"	112.985586
"1288515"	381.998064	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl+CF3COOH"	148.962264
"1367111"	198.023124	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H-2H2O"	-35.012676
"1382746"	216.0331	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H-H2O"	-17.0027
"282883"	467.078876	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H"	1.007276
"675699"	700.114676	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H"	1.007276
"1351319"	234.043076	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H"	1.007276
"126400"	234.043076	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2H"	2.014552
"565690"	350.560976	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2H"	2.014552
"1037318"	117.525176	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2H"	2.014552
"204489"	156.364476	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+3H"	3.021828
"645144"	234.043076	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+3H"	3.021828
"1163022"	78.685876	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+3H"	3.021828
"425081"	484.105423	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+NH4"	18.033823
"788627"	717.141223	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+NH4"	18.033823
"1684232"	251.069623	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+NH4"	18.033823
"331777"	242.5563495	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H+NH4"	19.041099
"723470"	359.0742495	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H+NH4"	19.041099
"1480935"	126.0384495	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+NH4"	19.041099
"396337"	489.060818	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Na"	22.989218
"755992"	722.096618	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+Na"	22.989218
"1602835"	256.025018	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na"	22.989218
"316205"	245.034047	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H+Na"	23.996494
"707170"	361.551947	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H+Na"	23.996494
"1463063"	128.516147	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+Na"	23.996494
"1059351"	86.01319	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2H+Na"	25.00377
"1267592"	266.069286	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+CH3OH+H"	33.033486
"388354"	505.034758	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+K"	38.963158
"749349"	738.070558	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+K"	38.963158
"1544838"	271.998958	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+K"	38.963158
"308579"	253.021017	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H+K"	39.970434
"696626"	369.538917	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H+K"	39.970434
"1455917"	136.503117	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+K"	39.970434
"245614"	508.105426	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+ACN+H"	42.033826
"1217230"	275.069626	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+ACN+H"	42.033826
"1204393"	138.038451	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+ACN+2H"	43.041102
"200547"	511.04276	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2Na-H"	44.97116
"636826"	744.07856	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2Na-H"	44.97116
"1145437"	278.00696	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2Na-H"	44.97116
"184717"	256.025018	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2Na"	45.978436
"622096"	372.542918	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2Na"	45.978436
"1123779"	139.507118	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2Na"	45.978436
"1399768"	93.340504	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+2Na"	46.985712
"1440145"	280.048546	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+HCOOH"	47.012746
"232391"	261.05804	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+3H2O+2H"	56.04448
"1509152"	294.10059	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+IsoProp+H"	61.06479
"409928"	264.011988	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Na+K"	61.952376
"774204"	380.529888	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+Na+K"	61.952376
"1667255"	147.494088	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na+K"	61.952376
"253775"	530.087368	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+ACN+Na"	64.015768
"1226970"	297.051568	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+ACN+Na"	64.015768
"1714398"	297.075093	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+NH4+HCOOH"	64.039293
"1180737"	100.667818	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+3Na"	68.967654
"1657193"	302.030488	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na+HCOOH"	68.994688
"168431"	542.99064	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2K-H"	76.91904
"609084"	776.02644	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2K-H"	76.91904
"1093596"	309.95484	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2K-H"	76.91904
"152599"	271.998958	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2K"	77.926316
"591064"	388.516858	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2K"	77.926316
"1082028"	155.481058	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2K"	77.926316
"1113659"	311.969392	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2K+H"	78.933592
"1350647"	312.057007	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+DMSO+H"	79.021207
"1019174"	316.096176	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2ACN+H"	83.060376
"1537302"	317.089808	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+IsoProp+Na+H"	84.054008
"1003748"	158.551726	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+2ACN+2H"	84.067652
"1589503"	318.004428	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+K+HCOOH"	84.968628
"1415164"	348.035938	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+CF3COOH"	115.000138
"1147192"	179.065001	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+3ACN+2H"	125.094202
"1698651"	365.062485	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+NH4+CF3COOH"	132.026685
"1634785"	370.01788	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na+CF3COOH"	136.98208
"1582713"	385.99182	"C13690"	"Dopamine 3-O-sulfate;Dopamine 3-sulfate"	"C8H11NO5S"	"233.0358"	"M+K+CF3COOH"	152.95602
"809798"	233.0358	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M"	0
"984425"	214.01741	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-H2O-H"	-19.01839
"72669"	154.349924	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M-3H"	-3.021828
"513324"	232.028524	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M-3H"	-3.021828
"891124"	76.671324	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-3H"	-3.021828
"9698"	232.028524	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H"	-2.014552
"448164"	348.546424	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H"	-2.014552
"827063"	115.510624	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H"	-2.014552
"85960"	465.064324	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M-H"	-1.007276
"526614"	698.100124	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M-H"	-1.007276
"901135"	232.028524	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-H"	-1.007276
"50040"	482.090871	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H+NH4"	16.019271
"491057"	715.126671	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H+NH4"	16.019271
"870681"	249.055071	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H+NH4"	16.019271
"36401"	487.046266	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H+Na"	20.974666
"480337"	720.082066	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H+Na"	20.974666
"854858"	254.010466	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H+Na"	20.974666
"1620016"	254.010466	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na-2H"	20.974666
"105294"	250.016863	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M-H+Cl"	33.962126
"542669"	366.534763	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M-H+Cl"	33.962126
"928528"	133.498963	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+Cl"	33.962126
"268053"	501.041002	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Cl"	34.969402
"661691"	734.076802	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+Cl"	34.969402
"1273722"	268.005202	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl"	34.969402
"16237"	503.020206	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M-2H+K"	36.948606
"456242"	736.056006	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M-2H+K"	36.948606
"833639"	269.984406	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-2H+K"	36.948606
"1555833"	269.984406	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+K-2H"	36.948606
"943109"	278.033994	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+HCOOH"	44.998194
"362140"	511.069801	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+HCOOH-H"	44.998201
"345893"	525.085451	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Hac-H"	59.013851
"1493513"	292.049651	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Hac-H"	59.013851
"958874"	300.015951	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+NaCOOH"	66.980151
"116054"	268.005202	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2Cl"	69.938804
"552333"	384.523102	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2Cl"	69.938804
"1023687"	151.487302	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2Cl"	69.938804
"1244721"	311.954685	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Br"	78.918885
"1306075"	314.010672	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl+HCOOH"	80.974872
"1320289"	335.992629	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl+NaCOOH"	102.956829
"912442"	346.021386	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M-H+CF3COOH"	112.985586
"1288661"	381.998064	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Cl+CF3COOH"	148.962264
"1367218"	198.023124	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H-2H2O"	-35.012676
"1382897"	216.0331	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H-H2O"	-17.0027
"283069"	467.078876	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H"	1.007276
"675821"	700.114676	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H"	1.007276
"1351392"	234.043076	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H"	1.007276
"126147"	234.043076	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2H"	2.014552
"566074"	350.560976	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2H"	2.014552
"1037387"	117.525176	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2H"	2.014552
"204431"	156.364476	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+3H"	3.021828
"644646"	234.043076	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+3H"	3.021828
"1162890"	78.685876	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+3H"	3.021828
"424704"	484.105423	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+NH4"	18.033823
"788736"	717.141223	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+NH4"	18.033823
"1686890"	251.069623	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+NH4"	18.033823
"331525"	242.5563495	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H+NH4"	19.041099
"725402"	359.0742495	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H+NH4"	19.041099
"1481775"	126.0384495	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+NH4"	19.041099
"396807"	489.060818	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Na"	22.989218
"756712"	722.096618	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+Na"	22.989218
"1602792"	256.025018	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na"	22.989218
"314273"	245.034047	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H+Na"	23.996494
"707998"	361.551947	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H+Na"	23.996494
"1464024"	128.516147	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+Na"	23.996494
"1063836"	86.01319	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2H+Na"	25.00377
"1270619"	266.069286	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+CH3OH+H"	33.033486
"392718"	505.034758	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+K"	38.963158
"749095"	738.070558	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+K"	38.963158
"1547136"	271.998958	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+K"	38.963158
"307596"	253.021017	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+H+K"	39.970434
"701841"	369.538917	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+H+K"	39.970434
"1457120"	136.503117	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+K"	39.970434
"243538"	508.105426	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+ACN+H"	42.033826
"1217339"	275.069626	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+ACN+H"	42.033826
"1201224"	138.038451	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+ACN+2H"	43.041102
"197377"	511.04276	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2Na-H"	44.97116
"641311"	744.07856	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2Na-H"	44.97116
"1144091"	278.00696	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2Na-H"	44.97116
"184827"	256.025018	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2Na"	45.978436
"624757"	372.542918	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2Na"	45.978436
"1124982"	139.507118	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2Na"	45.978436
"1403038"	93.340504	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+2Na"	46.985712
"1432966"	280.048546	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+HCOOH"	47.012746
"229949"	261.05804	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+3H2O+2H"	56.04448
"1510718"	294.10059	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+IsoProp+H"	61.06479
"409432"	264.011988	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+Na+K"	61.952376
"772495"	380.529888	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+Na+K"	61.952376
"1667731"	147.494088	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na+K"	61.952376
"253885"	530.087368	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+ACN+Na"	64.015768
"1225740"	297.051568	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+ACN+Na"	64.015768
"1713897"	297.075093	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+NH4+HCOOH"	64.039293
"1181575"	100.667818	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+3Na"	68.967654
"1657303"	302.030488	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na+HCOOH"	68.994688
"169634"	542.99064	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2K-H"	76.91904
"610287"	776.02644	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2K-H"	76.91904
"1094799"	309.95484	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2K-H"	76.91904
"150522"	271.998958	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"2M+2K"	77.926316
"591174"	388.516858	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"3M+2K"	77.926316
"1083104"	155.481058	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2K"	77.926316
"1114249"	311.969392	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2K+H"	78.933592
"1350390"	312.057007	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+DMSO+H"	79.021207
"1020624"	316.096176	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2ACN+H"	83.060376
"1536317"	317.089808	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+IsoProp+Na+H"	84.054008
"1001670"	158.551726	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+2ACN+2H"	84.067652
"1588520"	318.004428	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+K+HCOOH"	84.968628
"1415274"	348.035938	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+H+CF3COOH"	115.000138
"1147749"	179.065001	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+3ACN+2H"	125.094202
"1700584"	365.062485	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+NH4+CF3COOH"	132.026685
"1634773"	370.01788	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+Na+CF3COOH"	136.98208
"1582823"	385.99182	"C13691"	"Dopamine 4-O-sulfate"	"C8H11NO5S"	"233.0358"	"M+K+CF3COOH"	152.95602
"809908"	138.0905	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M"	0
"980162"	119.07211	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-H2O-H"	-19.01839
"71686"	91.0530573333333	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M-3H"	-3.021828
"515620"	137.083224	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M-3H"	-3.021828
"890141"	45.0228906666667	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-3H"	-3.021828
"6528"	137.083224	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M-2H"	-2.014552
"443901"	206.128474	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M-2H"	-2.014552
"826079"	68.037974	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-2H"	-2.014552
"83883"	275.173724	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M-H"	-1.007276
"523444"	413.264224	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M-H"	-1.007276
"896871"	137.083224	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-H"	-1.007276
"49422"	292.200271	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M-2H+NH4"	16.019271
"490074"	430.290771	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M-2H+NH4"	16.019271
"868603"	154.109771	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-2H+NH4"	16.019271
"33231"	297.155666	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M-2H+Na"	20.974666
"477166"	435.246166	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M-2H+Na"	20.974666
"854968"	159.065166	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-2H+Na"	20.974666
"1620126"	159.065166	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Na-2H"	20.974666
"105404"	155.071563	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M-H+Cl"	33.962126
"542779"	224.116813	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M-H+Cl"	33.962126
"928638"	86.026313	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-H+Cl"	33.962126
"267758"	311.150402	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+Cl"	34.969402
"660949"	449.240902	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+Cl"	34.969402
"1274200"	173.059902	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Cl"	34.969402
"16757"	313.129606	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M-2H+K"	36.948606
"455724"	451.220106	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M-2H+K"	36.948606
"833388"	175.039106	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-2H+K"	36.948606
"1556230"	175.039106	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+K-2H"	36.948606
"943344"	183.088694	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-H+HCOOH"	44.998194
"361514"	321.179201	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+HCOOH-H"	44.998201
"345815"	335.194851	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+Hac-H"	59.013851
"1495692"	197.104351	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Hac-H"	59.013851
"959226"	205.070651	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-H+NaCOOH"	66.980151
"116165"	173.059902	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+2Cl"	69.938804
"553537"	242.105152	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+2Cl"	69.938804
"1029265"	104.014652	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2Cl"	69.938804
"1244103"	217.009385	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Br"	78.918885
"1305821"	219.065372	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Cl+HCOOH"	80.974872
"1321494"	241.047329	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Cl+NaCOOH"	102.956829
"912915"	251.076086	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M-H+CF3COOH"	112.985586
"1289096"	287.052764	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Cl+CF3COOH"	148.962264
"1367101"	103.077824	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H-2H2O"	-35.012676
"1384188"	121.0878	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H-H2O"	-17.0027
"282882"	277.188276	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+H"	1.007276
"676054"	415.278776	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+H"	1.007276
"1351626"	139.097776	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H"	1.007276
"127109"	139.097776	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+2H"	2.014552
"567394"	208.143026	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+2H"	2.014552
"1039718"	70.052526	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2H"	2.014552
"205073"	93.0676093333333	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+3H"	3.021828
"645241"	139.097776	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+3H"	3.021828
"1163731"	47.0374426666667	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+3H"	3.021828
"426394"	294.214823	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+NH4"	18.033823
"788849"	432.305323	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+NH4"	18.033823
"1685907"	156.124323	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+NH4"	18.033823
"332364"	147.6110495	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+H+NH4"	19.041099
"725513"	216.6562995	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+H+NH4"	19.041099
"1481521"	78.5657995	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H+NH4"	19.041099
"396191"	299.170218	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+Na"	22.989218
"755730"	437.260718	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+Na"	22.989218
"1602981"	161.079718	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Na"	22.989218
"314512"	150.088747	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+H+Na"	23.996494
"708715"	219.133997	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+H+Na"	23.996494
"1462187"	81.043497	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H+Na"	23.996494
"1052922"	54.3647566666667	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2H+Na"	25.00377
"1268541"	171.123986	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+CH3OH+H"	33.033486
"385294"	315.144158	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+K"	38.963158
"748111"	453.234658	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+K"	38.963158
"1542871"	177.053658	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+K"	38.963158
"308799"	158.075717	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+H+K"	39.970434
"702315"	227.120967	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+H+K"	39.970434
"1457230"	89.030467	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H+K"	39.970434
"244741"	318.214826	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+ACN+H"	42.033826
"1217449"	180.124326	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+ACN+H"	42.033826
"1201333"	90.565801	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+ACN+2H"	43.041102
"201499"	321.15216	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+2Na-H"	44.97116
"640328"	459.24266	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+2Na-H"	44.97116
"1140559"	183.06166	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2Na-H"	44.97116
"185667"	161.079718	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+2Na"	45.978436
"623409"	230.124968	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+2Na"	45.978436
"1121083"	92.034468	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2Na"	45.978436
"1401690"	61.6920706666667	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H+2Na"	46.985712
"1430401"	185.103246	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H+HCOOH"	47.012746
"220704"	166.11274	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+3H2O+2H"	56.04448
"1509857"	199.15529	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+IsoProp+H"	61.06479
"409542"	169.066688	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+Na+K"	61.952376
"771268"	238.111938	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+Na+K"	61.952376
"1669665"	100.021438	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Na+K"	61.952376
"251461"	340.196768	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+ACN+Na"	64.015768
"1226211"	202.106268	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+ACN+Na"	64.015768
"1714491"	202.129793	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+NH4+HCOOH"	64.039293
"1178763"	69.0193846666667	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+3Na"	68.967654
"1657413"	207.085188	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Na+HCOOH"	68.994688
"169743"	353.10004	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+2K-H"	76.91904
"610397"	491.19054	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+2K-H"	76.91904
"1096003"	215.00954	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2K-H"	76.91904
"152819"	177.053658	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"2M+2K"	77.926316
"592377"	246.098908	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"3M+2K"	77.926316
"1079082"	108.008408	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2K"	77.926316
"1112291"	217.024092	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2K+H"	78.933592
"1347582"	217.111707	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+DMSO+H"	79.021207
"1016112"	221.150876	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2ACN+H"	83.060376
"1537520"	222.144508	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+IsoProp+Na+H"	84.054008
"996314"	111.079076	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+2ACN+2H"	84.067652
"1590818"	223.059128	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+K+HCOOH"	84.968628
"1415748"	253.090638	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+H+CF3COOH"	115.000138
"1147061"	131.592351	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+3ACN+2H"	125.094202
"1707255"	270.117185	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+NH4+CF3COOH"	132.026685
"1635251"	275.07258	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+Na+CF3COOH"	136.98208
"1582933"	291.04652	"C13692"	"Pentylenetetrazole;Pentetrazol"	"C6H10N4"	"138.0905"	"M+K+CF3COOH"	152.95602
"815487"	140.0586	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M"	0
"985740"	121.04021	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-H2O-H"	-19.01839
"71796"	92.365124	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M-3H"	-3.021828
"516824"	139.051324	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M-3H"	-3.021828
"891345"	45.678924	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-3H"	-3.021828
"6638"	139.051324	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M-2H"	-2.014552
"444011"	209.080624	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M-2H"	-2.014552
"828378"	69.022024	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-2H"	-2.014552
"85087"	279.109924	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M-H"	-1.007276
"523554"	419.168524	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M-H"	-1.007276
"896981"	139.051324	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-H"	-1.007276
"49168"	296.136471	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M-2H+NH4"	16.019271
"490914"	436.195071	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M-2H+NH4"	16.019271
"868715"	156.077871	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-2H+NH4"	16.019271
"33341"	301.091866	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M-2H+Na"	20.974666
"477276"	441.150466	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M-2H+Na"	20.974666
"855078"	161.033266	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-2H+Na"	20.974666
"1620236"	161.033266	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Na-2H"	20.974666
"105514"	157.039663	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M-H+Cl"	33.962126
"542889"	227.068963	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M-H+Cl"	33.962126
"929843"	87.010363	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-H+Cl"	33.962126
"268031"	315.086602	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+Cl"	34.969402
"661181"	455.145202	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+Cl"	34.969402
"1275403"	175.028002	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Cl"	34.969402
"19054"	317.065806	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M-2H+K"	36.948606
"455749"	457.124406	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M-2H+K"	36.948606
"835322"	177.007206	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-2H+K"	36.948606
"1555896"	177.007206	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+K-2H"	36.948606
"942968"	185.056794	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-H+HCOOH"	44.998194
"361573"	325.115401	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+HCOOH-H"	44.998201
"346240"	339.131051	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+Hac-H"	59.013851
"1493980"	199.072451	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Hac-H"	59.013851
"958972"	207.038751	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-H+NaCOOH"	66.980151
"113725"	175.028002	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+2Cl"	69.938804
"552920"	245.057302	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+2Cl"	69.938804
"1026459"	104.998702	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2Cl"	69.938804
"1243849"	218.977485	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Br"	78.918885
"1304514"	221.033472	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Cl+HCOOH"	80.974872
"1320020"	243.015429	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Cl+NaCOOH"	102.956829
"911606"	253.044186	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M-H+CF3COOH"	112.985586
"1288637"	289.020864	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Cl+CF3COOH"	148.962264
"1367764"	105.045924	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H-2H2O"	-35.012676
"1383123"	123.0559	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H-H2O"	-17.0027
"283612"	281.124476	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+H"	1.007276
"676408"	421.183076	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+H"	1.007276
"1351619"	141.065876	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H"	1.007276
"126735"	141.065876	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+2H"	2.014552
"565765"	211.095176	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+2H"	2.014552
"1037402"	71.036576	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2H"	2.014552
"205307"	94.379676	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+3H"	3.021828
"644865"	141.065876	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+3H"	3.021828
"1166152"	47.693476	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+3H"	3.021828
"425779"	298.151023	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+NH4"	18.033823
"788230"	438.209623	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+NH4"	18.033823
"1684925"	158.092423	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+NH4"	18.033823
"330528"	149.5791495	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+H+NH4"	19.041099
"724167"	219.6084495	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+H+NH4"	19.041099
"1481269"	79.5498495	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H+NH4"	19.041099
"395575"	303.106418	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+Na"	22.989218
"755839"	443.165018	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+Na"	22.989218
"1604675"	163.047818	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Na"	22.989218
"314786"	152.056847	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+H+Na"	23.996494
"707532"	222.086147	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+H+Na"	23.996494
"1462537"	82.027547	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H+Na"	23.996494
"1054206"	55.02079	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2H+Na"	25.00377
"1259169"	173.092086	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+CH3OH+H"	33.033486
"378836"	319.080358	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+K"	38.963158
"748221"	459.138958	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+K"	38.963158
"1542981"	179.021758	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+K"	38.963158
"308909"	160.043817	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+H+K"	39.970434
"703518"	230.073117	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+H+K"	39.970434
"1457340"	90.014517	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H+K"	39.970434
"244851"	322.151026	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+ACN+H"	42.033826
"1219746"	182.092426	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+ACN+H"	42.033826
"1201443"	91.549851	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+ACN+2H"	43.041102
"200880"	325.08836	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+2Na-H"	44.97116
"640439"	465.14696	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+2Na-H"	44.97116
"1141759"	185.02976	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2Na-H"	44.97116
"184321"	163.047818	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+2Na"	45.978436
"621332"	233.077118	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+2Na"	45.978436
"1118640"	93.018518	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2Na"	45.978436
"1405080"	62.348104	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H+2Na"	46.985712
"1436102"	187.071346	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H+HCOOH"	47.012746
"223609"	168.08084	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+3H2O+2H"	56.04448
"1509604"	201.12339	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+IsoProp+H"	61.06479
"408643"	171.034788	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+Na+K"	61.952376
"770648"	241.064088	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+Na+K"	61.952376
"1666495"	101.005488	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Na+K"	61.952376
"251957"	344.132968	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+ACN+Na"	64.015768
"1226079"	204.074368	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+ACN+Na"	64.015768
"1713993"	204.097893	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+NH4+HCOOH"	64.039293
"1178667"	69.675418	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+3Na"	68.967654
"1664084"	209.053288	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Na+HCOOH"	68.994688
"170947"	357.03624	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+2K-H"	76.91904
"610506"	497.09484	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+2K-H"	76.91904
"1097206"	216.97764	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2K-H"	76.91904
"155115"	179.021758	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"2M+2K"	77.926316
"590300"	249.051058	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"3M+2K"	77.926316
"1075906"	108.992458	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2K"	77.926316
"1113131"	218.992192	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2K+H"	78.933592
"1347692"	219.079807	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+DMSO+H"	79.021207
"1016223"	223.118976	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2ACN+H"	83.060376
"1538723"	224.112608	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+IsoProp+Na+H"	84.054008
"998611"	112.063126	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+2ACN+2H"	84.067652
"1589834"	225.027228	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+K+HCOOH"	84.968628
"1417682"	255.058738	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+H+CF3COOH"	115.000138
"1149065"	132.576401	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+3ACN+2H"	125.094202
"1706272"	272.085285	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+NH4+CF3COOH"	132.026685
"1636090"	277.04068	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+Na+CF3COOH"	136.98208
"1583043"	293.01462	"C13693"	"4567-Tetrahydroisoxazolo(54-c)pyridin-3-ol;THIP;Gaboxadol"	"C6H8N2O2"	"140.0586"	"M+K+CF3COOH"	152.95602
"810128"	127.0633	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M"	0
"980382"	108.04491	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-H2O-H"	-19.01839
"71906"	83.7015906666667	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M-3H"	-3.021828
"516934"	126.056024	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M-3H"	-3.021828
"891454"	41.3471573333333	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-3H"	-3.021828
"3468"	126.056024	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M-2H"	-2.014552
"444121"	189.587674	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M-2H"	-2.014552
"827395"	62.524374	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-2H"	-2.014552
"86290"	253.119324	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M-H"	-1.007276
"523664"	380.182624	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M-H"	-1.007276
"900370"	126.056024	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-H"	-1.007276
"53651"	270.145871	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M-2H+NH4"	16.019271
"495397"	397.209171	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M-2H+NH4"	16.019271
"874292"	143.082571	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-2H+NH4"	16.019271
"33451"	275.101266	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M-2H+Na"	20.974666
"477386"	402.164566	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M-2H+Na"	20.974666
"851908"	148.037966	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-2H+Na"	20.974666
"1625814"	148.037966	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Na-2H"	20.974666
"105624"	144.044363	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M-H+Cl"	33.962126
"542999"	207.576013	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M-H+Cl"	33.962126
"936514"	80.512713	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-H+Cl"	33.962126
"270696"	289.096002	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+Cl"	34.969402
"663116"	416.159302	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+Cl"	34.969402
"1274057"	162.032702	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Cl"	34.969402
"18071"	291.075206	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M-2H+K"	36.948606
"456778"	418.138506	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M-2H+K"	36.948606
"834339"	164.011906	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-2H+K"	36.948606
"1556734"	164.011906	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+K-2H"	36.948606
"943521"	172.061494	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-H+HCOOH"	44.998194
"362468"	299.124801	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+HCOOH-H"	44.998201
"346468"	313.140451	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+Hac-H"	59.013851
"1495911"	186.077151	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Hac-H"	59.013851
"959571"	194.043451	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-H+NaCOOH"	66.980151
"113836"	162.032702	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+2Cl"	69.938804
"552300"	225.564352	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+2Cl"	69.938804
"1029122"	98.501052	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2Cl"	69.938804
"1246147"	205.982185	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Br"	78.918885
"1304700"	208.038172	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Cl+HCOOH"	80.974872
"1321106"	230.020129	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Cl+NaCOOH"	102.956829
"913500"	240.048886	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M-H+CF3COOH"	112.985586
"1290572"	276.025564	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Cl+CF3COOH"	148.962264
"1367762"	92.050624	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H-2H2O"	-35.012676
"1385139"	110.0606	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H-H2O"	-17.0027
"283851"	255.133876	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+H"	1.007276
"677366"	382.197176	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+H"	1.007276
"1351771"	128.070576	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H"	1.007276
"125764"	128.070576	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+2H"	2.014552
"566044"	191.602226	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+2H"	2.014552
"1037188"	64.538926	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2H"	2.014552
"205176"	85.7161426666667	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+3H"	3.021828
"644855"	128.070576	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+3H"	3.021828
"1164804"	43.3617093333333	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+3H"	3.021828
"426617"	272.160423	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+NH4"	18.033823
"789068"	399.223723	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+NH4"	18.033823
"1685035"	145.097123	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+NH4"	18.033823
"331492"	136.5838495	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+H+NH4"	19.041099
"724277"	200.1154995	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+H+NH4"	19.041099
"1478213"	73.0521995	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H+NH4"	19.041099
"396780"	277.115818	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+Na"	22.989218
"754607"	404.179118	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+Na"	22.989218
"1603321"	150.052518	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Na"	22.989218
"314450"	139.061547	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+H+Na"	23.996494
"707475"	202.593197	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+H+Na"	23.996494
"1462768"	75.529897	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H+Na"	23.996494
"1053588"	50.6890233333333	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2H+Na"	25.00377
"1263654"	160.096786	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+CH3OH+H"	33.033486
"390617"	293.089758	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+K"	38.963158
"751246"	420.153058	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+K"	38.963158
"1543091"	166.026458	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+K"	38.963158
"310846"	147.048517	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+H+K"	39.970434
"704721"	210.580167	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+H+K"	39.970434
"1457450"	83.516867	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H+K"	39.970434
"249337"	296.160426	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+ACN+H"	42.033826
"1219858"	169.097126	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+ACN+H"	42.033826
"1207021"	85.052201	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+ACN+2H"	43.041102
"200260"	299.09776	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+2Na-H"	44.97116
"640549"	426.16106	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+2Na-H"	44.97116
"1143329"	172.03446	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2Na-H"	44.97116
"186620"	150.052518	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+2Na"	45.978436
"624358"	213.584168	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+2Na"	45.978436
"1120573"	86.520868	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2Na"	45.978436
"1404461"	58.0163373333333	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H+2Na"	46.985712
"1438400"	174.076046	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H+HCOOH"	47.012746
"229187"	155.08554	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+3H2O+2H"	56.04448
"1509714"	188.12809	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+IsoProp+H"	61.06479
"411467"	158.039488	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+Na+K"	61.952376
"773554"	221.571138	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+Na+K"	61.952376
"1672075"	94.507838	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Na+K"	61.952376
"255312"	318.142368	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+ACN+Na"	64.015768
"1226194"	191.079068	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+ACN+Na"	64.015768
"1713259"	191.102593	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+NH4+HCOOH"	64.039293
"1179472"	65.3436513333333	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+3Na"	68.967654
"1651432"	196.057988	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Na+HCOOH"	68.994688
"162308"	331.04564	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+2K-H"	76.91904
"607336"	458.10894	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+2K-H"	76.91904
"1094036"	203.98234	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2K-H"	76.91904
"155225"	166.026458	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"2M+2K"	77.926316
"587129"	229.558108	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"3M+2K"	77.926316
"1078201"	102.494808	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2K"	77.926316
"1108134"	205.996892	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2K+H"	78.933592
"1347801"	206.084507	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+DMSO+H"	79.021207
"1010865"	210.123676	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2ACN+H"	83.060376
"1537375"	211.117308	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+IsoProp+Na+H"	84.054008
"993254"	105.565476	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+2ACN+2H"	84.067652
"1588853"	212.031928	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+K+HCOOH"	84.968628
"1419982"	242.063438	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+H+CF3COOH"	115.000138
"1150269"	126.078751	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+3ACN+2H"	125.094202
"1704196"	259.089985	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+NH4+CF3COOH"	132.026685
"1635473"	264.04538	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+Na+CF3COOH"	136.98208
"1583153"	280.01932	"C13694"	"Isoguvacine"	"C6H9NO2"	"127.0633"	"M+K+CF3COOH"	152.95602
"810238"	146.015	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M"	0
"980492"	126.99661	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-H2O-H"	-19.01839
"72016"	96.3360573333333	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M-3H"	-3.021828
"513762"	145.007724	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M-3H"	-3.021828
"885003"	47.6643906666667	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-3H"	-3.021828
"3578"	145.007724	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M-2H"	-2.014552
"443138"	218.015224	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M-2H"	-2.014552
"826409"	72.000224	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-2H"	-2.014552
"86400"	291.022724	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M-H"	-1.007276
"523773"	437.037724	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M-H"	-1.007276
"902668"	145.007724	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-H"	-1.007276
"57041"	308.049271	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M-2H+NH4"	16.019271
"495507"	454.064271	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M-2H+NH4"	16.019271
"875496"	162.034271	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-2H+NH4"	16.019271
"34654"	313.004666	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M-2H+Na"	20.974666
"476403"	459.019666	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M-2H+Na"	20.974666
"858579"	166.989666	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-2H+Na"	20.974666
"1622643"	166.989666	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Na-2H"	20.974666
"104641"	162.996063	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M-H+Cl"	33.962126
"546389"	236.003563	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M-H+Cl"	33.962126
"936624"	89.988563	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-H+Cl"	33.962126
"271899"	326.999402	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+Cl"	34.969402
"664319"	473.014402	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+Cl"	34.969402
"1276719"	180.984402	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Cl"	34.969402
"20367"	328.978606	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M-2H+K"	36.948606
"459199"	474.993606	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M-2H+K"	36.948606
"838094"	182.963606	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-2H+K"	36.948606
"1564498"	182.963606	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+K-2H"	36.948606
"946549"	191.013194	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-H+HCOOH"	44.998194
"369502"	337.028201	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+HCOOH-H"	44.998201
"353386"	351.043851	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+Hac-H"	59.013851
"1499302"	205.028851	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Hac-H"	59.013851
"960409"	212.995151	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-H+NaCOOH"	66.980151
"112844"	180.984402	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+2Cl"	69.938804
"553504"	253.991902	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+2Cl"	69.938804
"1031784"	107.976902	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2Cl"	69.938804
"1247350"	224.933885	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Br"	78.918885
"1305541"	226.989872	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Cl+HCOOH"	80.974872
"1320488"	248.971829	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Cl+NaCOOH"	102.956829
"911787"	259.000586	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M-H+CF3COOH"	112.985586
"1290318"	294.977264	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Cl+CF3COOH"	148.962264
"1368115"	111.002324	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H-2H2O"	-35.012676
"1383792"	129.0123	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H-H2O"	-17.0027
"283350"	293.037276	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+H"	1.007276
"676260"	439.052276	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+H"	1.007276
"1351757"	147.022276	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H"	1.007276
"126956"	147.022276	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+2H"	2.014552
"565951"	220.029776	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+2H"	2.014552
"1038349"	74.014776	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2H"	2.014552
"204802"	98.3506093333333	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+3H"	3.021828
"645696"	147.022276	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+3H"	3.021828
"1165648"	49.6789426666667	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+3H"	3.021828
"426365"	310.063823	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+NH4"	18.033823
"790637"	456.078823	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+NH4"	18.033823
"1686240"	164.048823	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+NH4"	18.033823
"331603"	155.5355495	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+H+NH4"	19.041099
"725845"	228.5430495	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+H+NH4"	19.041099
"1477844"	82.5280495	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H+NH4"	19.041099
"401264"	315.019218	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+Na"	22.989218
"754724"	461.034218	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+Na"	22.989218
"1603309"	169.004218	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Na"	22.989218
"314930"	158.013247	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+H+Na"	23.996494
"707714"	231.020747	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+H+Na"	23.996494
"1462014"	85.005747	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H+Na"	23.996494
"1054546"	57.0062566666667	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2H+Na"	25.00377
"1260482"	179.048486	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+CH3OH+H"	33.033486
"388902"	330.993158	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+K"	38.963158
"752449"	477.008158	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+K"	38.963158
"1542470"	184.978158	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+K"	38.963158
"309133"	166.000217	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+H+K"	39.970434
"702645"	239.007717	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+H+K"	39.970434
"1455375"	92.992717	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H+K"	39.970434
"250177"	334.063826	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+ACN+H"	42.033826
"1222884"	188.048826	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+ACN+H"	42.033826
"1206767"	94.528051	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+ACN+2H"	43.041102
"202192"	337.00116	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+2Na-H"	44.97116
"642116"	483.01616	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+2Na-H"	44.97116
"1145261"	190.98616	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2Na-H"	44.97116
"186001"	169.004218	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+2Na"	45.978436
"625927"	242.011718	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+2Na"	45.978436
"1120683"	95.996718	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2Na"	45.978436
"1407487"	64.3335706666667	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H+2Na"	46.985712
"1439604"	193.027746	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H+HCOOH"	47.012746
"226016"	174.03724	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+3H2O+2H"	56.04448
"1510065"	207.07979	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+IsoProp+H"	61.06479
"409871"	176.991188	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+Na+K"	61.952376
"772571"	249.998688	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+Na+K"	61.952376
"1666716"	103.983688	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Na+K"	61.952376
"254328"	356.045768	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+ACN+Na"	64.015768
"1227033"	210.030768	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+ACN+Na"	64.015768
"1713732"	210.054293	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+NH4+HCOOH"	64.039293
"1179819"	71.6608846666667	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+3Na"	68.967654
"1649961"	215.009688	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Na+HCOOH"	68.994688
"160228"	368.94904	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+2K-H"	76.91904
"600884"	514.96404	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+2K-H"	76.91904
"1091959"	222.93404	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2K-H"	76.91904
"152055"	184.978158	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"2M+2K"	77.926316
"583960"	257.985658	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"3M+2K"	77.926316
"1072844"	111.970658	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2K"	77.926316
"1103870"	224.948592	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2K+H"	78.933592
"1347911"	225.036207	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+DMSO+H"	79.021207
"1014255"	229.075376	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2ACN+H"	83.060376
"1534570"	230.069008	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+IsoProp+Na+H"	84.054008
"994458"	115.041326	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+2ACN+2H"	84.067652
"1589327"	230.983628	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+K+HCOOH"	84.968628
"1416812"	261.015138	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+H+CF3COOH"	115.000138
"1150379"	135.554601	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+3ACN+2H"	125.094202
"1709773"	278.041685	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+NH4+CF3COOH"	132.026685
"1635947"	282.99708	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+Na+CF3COOH"	136.98208
"1583263"	298.97102	"C13695"	"ZAPA;(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid"	"C4H6N2O2S"	"146.015"	"M+K+CF3COOH"	152.95602
"810348"	129.079	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M"	0
"980602"	110.06061	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H2O-H"	-19.01839
"73219"	85.0453906666667	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-3H"	-3.021828
"513872"	128.071724	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-3H"	-3.021828
"886206"	42.0190573333333	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-3H"	-3.021828
"3688"	128.071724	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H"	-2.014552
"441421"	192.611224	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H"	-2.014552
"827612"	63.532224	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H"	-2.014552
"86509"	257.150724	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-H"	-1.007276
"520964"	386.229724	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-H"	-1.007276
"898403"	128.071724	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H"	-1.007276
"50224"	274.177271	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H+NH4"	16.019271
"491607"	403.256271	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H+NH4"	16.019271
"872325"	145.098271	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H+NH4"	16.019271
"34393"	279.132666	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H+Na"	20.974666
"477606"	408.211666	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H+Na"	20.974666
"853220"	150.053666	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H+Na"	20.974666
"1622753"	150.053666	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na-2H"	20.974666
"99283"	146.060063	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-H+Cl"	33.962126
"542123"	210.599563	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-H+Cl"	33.962126
"931266"	81.520563	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+Cl"	33.962126
"272009"	293.127402	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Cl"	34.969402
"661875"	422.206402	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+Cl"	34.969402
"1274275"	164.048402	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl"	34.969402
"17925"	295.106606	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M-2H+K"	36.948606
"456751"	424.185606	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M-2H+K"	36.948606
"833133"	166.027606	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-2H+K"	36.948606
"1556096"	166.027606	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K-2H"	36.948606
"943374"	174.077194	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+HCOOH"	44.998194
"361714"	303.156201	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+HCOOH-H"	44.998201
"346933"	317.171851	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Hac-H"	59.013851
"1493697"	188.092851	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Hac-H"	59.013851
"961126"	196.059151	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+NaCOOH"	66.980151
"112585"	164.048402	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2Cl"	69.938804
"552269"	228.587902	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2Cl"	69.938804
"1029343"	99.508902	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2Cl"	69.938804
"1247827"	207.997885	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Br"	78.918885
"1305044"	210.053872	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl+HCOOH"	80.974872
"1321082"	232.035829	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl+NaCOOH"	102.956829
"913720"	242.064586	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M-H+CF3COOH"	112.985586
"1288968"	278.041264	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Cl+CF3COOH"	148.962264
"1367249"	94.066324	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H-2H2O"	-35.012676
"1383657"	112.0763	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H-H2O"	-17.0027
"283948"	259.165276	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H"	1.007276
"676612"	388.244276	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H"	1.007276
"1352717"	130.086276	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H"	1.007276
"127061"	130.086276	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2H"	2.014552
"565894"	194.625776	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2H"	2.014552
"1037730"	65.546776	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2H"	2.014552
"204321"	87.0599426666667	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+3H"	3.021828
"645563"	130.086276	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+3H"	3.021828
"1162875"	44.0336093333333	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+3H"	3.021828
"425743"	276.191823	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+NH4"	18.033823
"789290"	405.270823	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+NH4"	18.033823
"1685986"	147.112823	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+NH4"	18.033823
"332077"	138.5995495	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H+NH4"	19.041099
"725593"	203.1390495	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H+NH4"	19.041099
"1480506"	74.0600495	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+NH4"	19.041099
"401374"	281.147218	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Na"	22.989218
"756898"	410.226218	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+Na"	22.989218
"1602780"	152.068218	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na"	22.989218
"314428"	141.077247	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H+Na"	23.996494
"707219"	205.616747	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H+Na"	23.996494
"1461554"	76.537747	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+Na"	23.996494
"1053927"	51.3609233333333	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2H+Na"	25.00377
"1258277"	162.112486	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+CH3OH+H"	33.033486
"384637"	297.121158	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+K"	38.963158
"748914"	426.200158	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+K"	38.963158
"1542945"	168.042158	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K"	38.963158
"301945"	149.064217	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+H+K"	39.970434
"701662"	213.603717	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+H+K"	39.970434
"1453295"	84.524717	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+K"	39.970434
"245177"	300.191826	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+ACN+H"	42.033826
"1218983"	171.112826	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+ACN+H"	42.033826
"1200678"	86.060051	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+ACN+2H"	43.041102
"192456"	303.12916	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2Na-H"	44.97116
"643319"	432.20816	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2Na-H"	44.97116
"1144273"	174.05016	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2Na-H"	44.97116
"181001"	152.068218	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2Na"	45.978436
"622756"	216.607718	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2Na"	45.978436
"1125167"	87.528718	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2Na"	45.978436
"1405412"	58.6882373333333	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+2Na"	46.985712
"1436434"	176.091746	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+HCOOH"	47.012746
"227220"	157.10124	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+3H2O+2H"	56.04448
"1509689"	190.14379	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+IsoProp+H"	61.06479
"409858"	160.055188	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+Na+K"	61.952376
"773775"	224.594688	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+Na+K"	61.952376
"1669012"	95.515688	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na+K"	61.952376
"254436"	322.173768	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+ACN+Na"	64.015768
"1226411"	193.094768	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+ACN+Na"	64.015768
"1715665"	193.118293	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+NH4+HCOOH"	64.039293
"1181753"	66.0155513333333	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+3Na"	68.967654
"1651287"	198.073688	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na+HCOOH"	68.994688
"159245"	335.07704	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2K-H"	76.91904
"600994"	464.15604	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2K-H"	76.91904
"1095350"	205.99804	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2K-H"	76.91904
"149978"	168.042158	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"2M+2K"	77.926316
"585527"	232.581658	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"3M+2K"	77.926316
"1072954"	103.502658	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2K"	77.926316
"1103980"	208.012592	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2K+H"	78.933592
"1348750"	208.100207	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+DMSO+H"	79.021207
"1014365"	212.139376	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2ACN+H"	83.060376
"1535773"	213.133008	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+IsoProp+Na+H"	84.054008
"993474"	106.573326	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+2ACN+2H"	84.067652
"1590166"	214.047628	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K+HCOOH"	84.968628
"1415827"	244.079138	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+H+CF3COOH"	115.000138
"1151582"	127.086601	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+3ACN+2H"	125.094202
"1706602"	261.105685	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+NH4+CF3COOH"	132.026685
"1638973"	266.06108	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+Na+CF3COOH"	136.98208
"1583373"	282.03502	"C13696"	"trans-3-Aminocyclopentane-1-carboxylic acid"	"C6H11NO2"	"129.079"	"M+K+CF3COOH"	152.95602
"810458"	213.079	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M"	0
"980712"	194.06061	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-H2O-H"	-19.01839
"73329"	141.045390666667	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M-3H"	-3.021828
"510702"	212.071724	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M-3H"	-3.021828
"881939"	70.0190573333333	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-3H"	-3.021828
"3794"	212.071724	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M-2H"	-2.014552
"441531"	318.611224	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M-2H"	-2.014552
"824441"	105.532224	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-2H"	-2.014552
"82609"	425.150724	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M-H"	-1.007276
"522167"	638.229724	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M-H"	-1.007276
"899606"	212.071724	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-H"	-1.007276
"51793"	442.177271	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M-2H+NH4"	16.019271
"491718"	655.256271	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M-2H+NH4"	16.019271
"869155"	229.098271	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-2H+NH4"	16.019271
"34870"	447.132666	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M-2H+Na"	20.974666
"478809"	660.211666	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M-2H+Na"	20.974666
"853330"	234.053666	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-2H+Na"	20.974666
"1622863"	234.053666	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Na-2H"	20.974666
"99393"	230.060063	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M-H+Cl"	33.962126
"538953"	336.599563	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M-H+Cl"	33.962126
"931376"	123.520563	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-H+Cl"	33.962126
"270296"	461.127402	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+Cl"	34.969402
"662350"	674.206402	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+Cl"	34.969402
"1274387"	248.048402	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Cl"	34.969402
"19494"	463.106606	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M-2H+K"	36.948606
"455907"	676.185606	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M-2H+K"	36.948606
"836860"	250.027606	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-2H+K"	36.948606
"1557064"	250.027606	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+K-2H"	36.948606
"942967"	258.077194	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-H+HCOOH"	44.998194
"361455"	471.156201	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+HCOOH-H"	44.998201
"346317"	485.171851	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+Hac-H"	59.013851
"1494053"	272.092851	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Hac-H"	59.013851
"958723"	280.059151	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-H+NaCOOH"	66.980151
"110874"	248.048402	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+2Cl"	69.938804
"551894"	354.587902	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+2Cl"	69.938804
"1028359"	141.508902	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2Cl"	69.938804
"1247572"	291.997885	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Br"	78.918885
"1304912"	294.053872	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Cl+HCOOH"	80.974872
"1322044"	316.035829	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Cl+NaCOOH"	102.956829
"913466"	326.064586	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M-H+CF3COOH"	112.985586
"1288671"	362.041264	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Cl+CF3COOH"	148.962264
"1367061"	178.066324	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H-2H2O"	-35.012676
"1383282"	196.0763	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H-H2O"	-17.0027
"283817"	427.165276	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+H"	1.007276
"675664"	640.244276	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+H"	1.007276
"1351611"	214.086276	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H"	1.007276
"126202"	214.086276	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+2H"	2.014552
"566004"	320.625776	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+2H"	2.014552
"1037356"	107.546776	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2H"	2.014552
"204450"	143.059942666667	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+3H"	3.021828
"644823"	214.086276	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+3H"	3.021828
"1164772"	72.0336093333333	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+3H"	3.021828
"425492"	444.191823	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+NH4"	18.033823
"787581"	657.270823	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+NH4"	18.033823
"1685004"	231.112823	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+NH4"	18.033823
"333282"	222.5995495	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+H+NH4"	19.041099
"724612"	329.1390495	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+H+NH4"	19.041099
"1479525"	116.0600495	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H+NH4"	19.041099
"397110"	449.147218	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+Na"	22.989218
"754453"	662.226218	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+Na"	22.989218
"1602768"	236.068218	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Na"	22.989218
"314910"	225.077247	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+H+Na"	23.996494
"707163"	331.616747	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+H+Na"	23.996494
"1461338"	118.537747	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H+Na"	23.996494
"1053795"	79.3609233333333	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2H+Na"	25.00377
"1257417"	246.112486	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+CH3OH+H"	33.033486
"385840"	465.121158	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+K"	38.963158
"746837"	678.200158	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+K"	38.963158
"1543786"	252.042158	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+K"	38.963158
"300962"	233.064217	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+H+K"	39.970434
"701772"	339.603717	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+H+K"	39.970434
"1456688"	126.524717	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H+K"	39.970434
"249667"	468.191826	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+ACN+H"	42.033826
"1222740"	255.112826	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+ACN+H"	42.033826
"1200787"	128.060051	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+ACN+2H"	43.041102
"200955"	471.12916	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+2Na-H"	44.97116
"643430"	684.20816	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+2Na-H"	44.97116
"1144751"	258.05016	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2Na-H"	44.97116
"188286"	236.068218	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+2Na"	45.978436
"618126"	342.607718	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+2Na"	45.978436
"1119080"	129.528718	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2Na"	45.978436
"1409895"	86.6882373333333	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H+2Na"	46.985712
"1439823"	260.091746	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H+HCOOH"	47.012746
"222228"	241.10124	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+3H2O+2H"	56.04448
"1509925"	274.14379	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+IsoProp+H"	61.06479
"411799"	244.055188	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+Na+K"	61.952376
"773886"	350.594688	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+Na+K"	61.952376
"1669124"	137.515688	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Na+K"	61.952376
"254548"	490.173768	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+ACN+Na"	64.015768
"1227987"	277.094768	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+ACN+Na"	64.015768
"1714682"	277.118293	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+NH4+HCOOH"	64.039293
"1180402"	94.0155513333333	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+3Na"	68.967654
"1651397"	282.073688	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Na+HCOOH"	68.994688
"158746"	503.07704	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+2K-H"	76.91904
"602197"	716.15604	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+2K-H"	76.91904
"1089993"	289.99804	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2K-H"	76.91904
"150088"	252.042158	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"2M+2K"	77.926316
"590740"	358.581658	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"3M+2K"	77.926316
"1074160"	145.502658	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2K"	77.926316
"1111745"	292.012592	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2K+H"	78.933592
"1342662"	292.100207	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+DMSO+H"	79.021207
"1013378"	296.139376	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2ACN+H"	83.060376
"1532600"	297.133008	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+IsoProp+Na+H"	84.054008
"994677"	148.573326	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+2ACN+2H"	84.067652
"1594648"	298.047628	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+K+HCOOH"	84.968628
"1414475"	328.079138	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+H+CF3COOH"	115.000138
"1153879"	169.086601	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+3ACN+2H"	125.094202
"1703430"	345.105685	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+NH4+CF3COOH"	132.026685
"1639083"	350.06108	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+Na+CF3COOH"	136.98208
"1583483"	366.03502	"C13697"	"Fenamic acid;Diphenylamine-2-carboxylic acid;DPC"	"C13H11NO2"	"213.079"	"M+K+CF3COOH"	152.95602
"810568"	282.0616	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M"	0
"980822"	263.04321	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-H2O-H"	-19.01839
"70159"	187.033790666667	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M-3H"	-3.021828
"510812"	281.054324	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M-3H"	-3.021828
"881684"	93.0132573333333	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-3H"	-3.021828
"3905"	281.054324	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M-2H"	-2.014552
"440263"	422.085124	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M-2H"	-2.014552
"824551"	140.023524	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-2H"	-2.014552
"83083"	563.115924	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M-H"	-1.007276
"520090"	845.177524	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M-H"	-1.007276
"898622"	281.054324	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-H"	-1.007276
"50080"	580.142471	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M-2H+NH4"	16.019271
"487938"	862.204071	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M-2H+NH4"	16.019271
"869265"	298.080871	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-2H+NH4"	16.019271
"32429"	585.097866	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M-2H+Na"	20.974666
"477826"	867.159466	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M-2H+Na"	20.974666
"852347"	303.036266	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-2H+Na"	20.974666
"1622973"	303.036266	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Na-2H"	20.974666
"99503"	299.042663	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M-H+Cl"	33.962126
"542343"	440.073463	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M-H+Cl"	33.962126
"931121"	158.011863	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-H+Cl"	33.962126
"270406"	599.092602	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+Cl"	34.969402
"660879"	881.154202	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+Cl"	34.969402
"1273278"	317.031002	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Cl"	34.969402
"17417"	601.071806	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M-2H+K"	36.948606
"456614"	883.133406	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M-2H+K"	36.948606
"833156"	319.010206	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-2H+K"	36.948606
"1557175"	319.010206	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+K-2H"	36.948606
"942991"	327.059794	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-H+HCOOH"	44.998194
"363273"	609.121401	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+HCOOH-H"	44.998201
"345854"	623.137051	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+Hac-H"	59.013851
"1492844"	341.075451	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Hac-H"	59.013851
"958953"	349.041751	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-H+NaCOOH"	66.980151
"110984"	317.031002	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+2Cl"	69.938804
"550909"	458.061802	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+2Cl"	69.938804
"1026283"	176.000202	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2Cl"	69.938804
"1248047"	360.980485	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Br"	78.918885
"1306845"	363.036472	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Cl+HCOOH"	80.974872
"1321789"	385.018429	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Cl+NaCOOH"	102.956829
"912847"	395.047186	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M-H+CF3COOH"	112.985586
"1289184"	431.023864	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Cl+CF3COOH"	148.962264
"1367592"	247.048924	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H-2H2O"	-35.012676
"1383026"	265.0589	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H-H2O"	-17.0027
"283275"	565.130476	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+H"	1.007276
"675976"	847.192076	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+H"	1.007276
"1351845"	283.068876	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H"	1.007276
"126192"	283.068876	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+2H"	2.014552
"566357"	424.099676	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+2H"	2.014552
"1037954"	142.038076	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2H"	2.014552
"204640"	189.048342666667	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+3H"	3.021828
"644572"	283.068876	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+3H"	3.021828
"1164155"	95.0278093333333	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+3H"	3.021828
"426697"	582.157023	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+NH4"	18.033823
"787691"	864.218623	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+NH4"	18.033823
"1685114"	300.095423	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+NH4"	18.033823
"333393"	291.5821495	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+H+NH4"	19.041099
"725815"	432.6129495	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+H+NH4"	19.041099
"1482916"	150.5513495	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H+NH4"	19.041099
"400500"	587.112418	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+Na"	22.989218
"754602"	869.174018	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+Na"	22.989218
"1603032"	305.050818	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Na"	22.989218
"315385"	294.059847	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+H+Na"	23.996494
"707474"	435.090647	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+H+Na"	23.996494
"1461342"	153.029047	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H+Na"	23.996494
"1054027"	102.355123333333	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2H+Na"	25.00377
"1258985"	315.095086	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+CH3OH+H"	33.033486
"384857"	603.086358	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+K"	38.963158
"744759"	885.147958	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+K"	38.963158
"1542801"	321.024758	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+K"	38.963158
"302896"	302.046817	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+H+K"	39.970434
"702977"	443.077617	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+H+K"	39.970434
"1458985"	161.016017	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H+K"	39.970434
"249776"	606.157026	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+ACN+H"	42.033826
"1220298"	324.095426	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+ACN+H"	42.033826
"1204178"	162.551351	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+ACN+2H"	43.041102
"202522"	609.09436	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+2Na-H"	44.97116
"642083"	891.15596	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+2Na-H"	44.97116
"1142672"	327.03276	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2Na-H"	44.97116
"186693"	305.050818	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+2Na"	45.978436
"616049"	446.081618	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+2Na"	45.978436
"1119554"	164.020018	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2Na"	45.978436
"1407818"	109.682437333333	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H+2Na"	46.985712
"1434101"	329.074346	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H+HCOOH"	47.012746
"222335"	310.08384	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+3H2O+2H"	56.04448
"1508486"	343.12639	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+IsoProp+H"	61.06479
"410084"	313.037788	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+Na+K"	61.952376
"776547"	454.068588	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+Na+K"	61.952376
"1667410"	172.006988	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Na+K"	61.952376
"253198"	628.138968	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+ACN+Na"	64.015768
"1226638"	346.077368	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+ACN+Na"	64.015768
"1714064"	346.100893	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+NH4+HCOOH"	64.039293
"1179783"	117.009751333333	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+3Na"	68.967654
"1650900"	351.056288	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Na+HCOOH"	68.994688
"157884"	641.04224	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+2K-H"	76.91904
"598053"	923.10384	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+2K-H"	76.91904
"1094476"	358.98064	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2K-H"	76.91904
"149105"	321.024758	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"2M+2K"	77.926316
"588663"	462.055558	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"3M+2K"	77.926316
"1076456"	179.993958	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2K"	77.926316
"1107480"	360.995192	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2K+H"	78.933592
"1346052"	361.082807	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+DMSO+H"	79.021207
"1012395"	365.121976	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2ACN+H"	83.060376
"1529428"	366.115608	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+IsoProp+Na+H"	84.054008
"996972"	183.064626	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+2ACN+2H"	84.067652
"1590383"	367.030228	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+K+HCOOH"	84.968628
"1414465"	397.061738	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+H+CF3COOH"	115.000138
"1155082"	203.577901	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+3ACN+2H"	125.094202
"1702447"	414.088285	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+NH4+CF3COOH"	132.026685
"1639193"	419.04368	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+Na+CF3COOH"	136.98208
"1583593"	435.01762	"C13698"	"Niflumic acid;NFA"	"C13H9F3N2O2"	"282.0616"	"M+K+CF3COOH"	152.95602
"810678"	222.0681	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M"	0
"980932"	203.04971	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-H2O-H"	-19.01839
"71362"	147.038124	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M-3H"	-3.021828
"512015"	221.060824	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M-3H"	-3.021828
"880701"	73.015424	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-3H"	-3.021828
"1099"	221.060824	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M-2H"	-2.014552
"440529"	332.094874	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M-2H"	-2.014552
"820286"	110.026774	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-2H"	-2.014552
"81372"	443.128924	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M-H"	-1.007276
"518736"	665.197024	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M-H"	-1.007276
"895935"	221.060824	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-H"	-1.007276
"48003"	460.155471	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M-2H+NH4"	16.019271
"487804"	682.223571	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M-2H+NH4"	16.019271
"869375"	238.087371	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-2H+NH4"	16.019271
"31701"	465.110866	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M-2H+Na"	20.974666
"476843"	687.178966	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M-2H+Na"	20.974666
"851364"	243.042766	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-2H+Na"	20.974666
"1623084"	243.042766	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Na-2H"	20.974666
"95033"	239.049163	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M-H+Cl"	33.962126
"539173"	350.083213	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M-H+Cl"	33.962126
"929409"	128.015113	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-H+Cl"	33.962126
"269423"	479.105602	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+Cl"	34.969402
"661476"	701.173702	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+Cl"	34.969402
"1273147"	257.037502	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Cl"	34.969402
"20808"	481.084806	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M-2H+K"	36.948606
"456479"	703.152906	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M-2H+K"	36.948606
"833796"	259.016706	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-2H+K"	36.948606
"1558380"	259.016706	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+K-2H"	36.948606
"944075"	267.066294	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-H+HCOOH"	44.998194
"364478"	489.134401	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+HCOOH-H"	44.998201
"346901"	503.150051	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+Hac-H"	59.013851
"1498287"	281.081951	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Hac-H"	59.013851
"959629"	289.048251	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-H+NaCOOH"	66.980151
"110171"	257.037502	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+2Cl"	69.938804
"550656"	368.071552	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+2Cl"	69.938804
"1021361"	146.003452	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2Cl"	69.938804
"1241499"	300.986985	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Br"	78.918885
"1304324"	303.042972	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Cl+HCOOH"	80.974872
"1321777"	325.024929	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Cl+NaCOOH"	102.956829
"911727"	335.053686	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M-H+CF3COOH"	112.985586
"1288721"	371.030364	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Cl+CF3COOH"	148.962264
"1367454"	187.055424	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H-2H2O"	-35.012676
"1383176"	205.0654	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H-H2O"	-17.0027
"283545"	445.143476	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+H"	1.007276
"676167"	667.211576	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+H"	1.007276
"1352194"	223.075376	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H"	1.007276
"126012"	223.075376	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+2H"	2.014552
"566346"	334.109426	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+2H"	2.014552
"1037697"	112.041326	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2H"	2.014552
"204708"	149.052676	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+3H"	3.021828
"645168"	223.075376	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+3H"	3.021828
"1163776"	75.029976	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+3H"	3.021828
"426078"	462.170023	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+NH4"	18.033823
"788528"	684.238123	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+NH4"	18.033823
"1684133"	240.101923	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+NH4"	18.033823
"334596"	231.5886495	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+H+NH4"	19.041099
"727020"	342.6226995	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+H+NH4"	19.041099
"1484119"	120.5545995	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H+NH4"	19.041099
"401704"	467.125418	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+Na"	22.989218
"757596"	689.193518	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+Na"	22.989218
"1603875"	245.057318	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Na"	22.989218
"315981"	234.066347	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+H+Na"	23.996494
"708275"	345.100397	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+H+Na"	23.996494
"1462342"	123.032297	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H+Na"	23.996494
"1054494"	82.35729	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2H+Na"	25.00377
"1258121"	255.101586	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+CH3OH+H"	33.033486
"383874"	483.099358	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+K"	38.963158
"744869"	705.167458	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+K"	38.963158
"1544731"	261.031258	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+K"	38.963158
"301180"	242.053317	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+H+K"	39.970434
"693241"	353.087367	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+H+K"	39.970434
"1450344"	131.019267	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H+K"	39.970434
"241133"	486.170026	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+ACN+H"	42.033826
"1212743"	264.101926	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+ACN+H"	42.033826
"1205380"	132.554601	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+ACN+2H"	43.041102
"194971"	489.10736	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+2Na-H"	44.97116
"631251"	711.17546	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+2Na-H"	44.97116
"1133297"	267.03926	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2Na-H"	44.97116
"183523"	245.057318	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+2Na"	45.978436
"620894"	356.091368	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+2Na"	45.978436
"1123311"	134.023268	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2Na"	45.978436
"1405737"	89.684604	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H+2Na"	46.985712
"1437853"	269.080846	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H+HCOOH"	47.012746
"220331"	250.09034	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+3H2O+2H"	56.04448
"1513423"	283.13289	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+IsoProp+H"	61.06479
"408726"	253.044288	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+Na+K"	61.952376
"770127"	364.078338	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+Na+K"	61.952376
"1666379"	142.010238	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Na+K"	61.952376
"252211"	508.151968	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+ACN+Na"	64.015768
"1226984"	286.083868	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+ACN+Na"	64.015768
"1713559"	286.107393	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+NH4+HCOOH"	64.039293
"1178915"	97.011918	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+3Na"	68.967654
"1652341"	291.062788	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Na+HCOOH"	68.994688
"159199"	521.05524	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+2K-H"	76.91904
"600224"	743.12334	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+2K-H"	76.91904
"1094586"	298.98714	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2K-H"	76.91904
"150308"	261.031258	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"2M+2K"	77.926316
"586586"	372.065308	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"3M+2K"	77.926316
"1072190"	149.997208	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2K"	77.926316
"1108682"	301.001692	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2K+H"	78.933592
"1340695"	301.089307	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+DMSO+H"	79.021207
"1010318"	305.128476	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2ACN+H"	83.060376
"1528445"	306.122108	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+IsoProp+Na+H"	84.054008
"994895"	153.067876	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+2ACN+2H"	84.067652
"1590493"	307.036728	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+K+HCOOH"	84.968628
"1414574"	337.068238	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+H+CF3COOH"	115.000138
"1154099"	173.581151	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+3ACN+2H"	125.094202
"1701464"	354.094785	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+NH4+CF3COOH"	132.026685
"1639303"	359.05018	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+Na+CF3COOH"	136.98208
"1583703"	375.02412	"C13699"	"9-Anthroic acid;Anthracene-9-carboxylic acid;A9C"	"C15H10O2"	"222.0681"	"M+K+CF3COOH"	152.95602
"810788"	214.0397	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M"	0
"982135"	195.02131	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-H2O-H"	-19.01839
"72565"	141.685857333333	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M-3H"	-3.021828
"512125"	213.032424	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M-3H"	-3.021828
"880811"	70.3392906666667	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-3H"	-3.021828
"1573"	213.032424	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M-2H"	-2.014552
"441494"	320.052274	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M-2H"	-2.014552
"820760"	106.012574	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-2H"	-2.014552
"81482"	427.072124	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M-H"	-1.007276
"520065"	641.111824	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M-H"	-1.007276
"896530"	213.032424	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-H"	-1.007276
"48234"	444.098671	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M-2H+NH4"	16.019271
"488520"	658.138371	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M-2H+NH4"	16.019271
"869485"	230.058971	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-2H+NH4"	16.019271
"33015"	449.054066	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M-2H+Na"	20.974666
"476953"	663.093766	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M-2H+Na"	20.974666
"852567"	235.014366	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-2H+Na"	20.974666
"1624287"	235.014366	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Na-2H"	20.974666
"96440"	231.020763	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M-H+Cl"	33.962126
"540376"	338.040613	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M-H+Cl"	33.962126
"930612"	124.000913	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-H+Cl"	33.962126
"269167"	463.048802	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+Cl"	34.969402
"662679"	677.088502	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+Cl"	34.969402
"1273497"	249.009102	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Cl"	34.969402
"20918"	465.028006	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M-2H+K"	36.948606
"458292"	679.067706	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M-2H+K"	36.948606
"835000"	250.988306	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-2H+K"	36.948606
"1560675"	250.988306	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+K-2H"	36.948606
"945279"	259.037894	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-H+HCOOH"	44.998194
"363858"	473.077601	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+HCOOH-H"	44.998201
"347376"	487.093251	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+Hac-H"	59.013851
"1497302"	273.053551	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Hac-H"	59.013851
"960468"	281.019851	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-H+NaCOOH"	66.980151
"110548"	249.009102	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+2Cl"	69.938804
"550191"	356.028952	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+2Cl"	69.938804
"1021994"	141.989252	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2Cl"	69.938804
"1241688"	292.958585	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Br"	78.918885
"1304501"	295.014572	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Cl+HCOOH"	80.974872
"1321038"	316.996529	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Cl+NaCOOH"	102.956829
"912338"	327.025286	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M-H+CF3COOH"	112.985586
"1288474"	363.001964	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Cl+CF3COOH"	148.962264
"1367037"	179.027024	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H-2H2O"	-35.012676
"1382958"	197.037	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H-H2O"	-17.0027
"283005"	429.086676	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+H"	1.007276
"675663"	643.126376	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+H"	1.007276
"1351576"	215.046976	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H"	1.007276
"125729"	215.046976	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+2H"	2.014552
"565750"	322.066826	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+2H"	2.014552
"1037689"	108.027126	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2H"	2.014552
"205596"	143.700409333333	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+3H"	3.021828
"645887"	215.046976	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+3H"	3.021828
"1163402"	72.3538426666667	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+3H"	3.021828
"425822"	446.113223	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+NH4"	18.033823
"788273"	660.152923	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+NH4"	18.033823
"1685334"	232.073523	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+NH4"	18.033823
"333246"	223.5602495	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+H+NH4"	19.041099
"726764"	330.5800995	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+H+NH4"	19.041099
"1480949"	116.5403995	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H+NH4"	19.041099
"399628"	451.068618	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+Na"	22.989218
"755519"	665.108318	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+Na"	22.989218
"1603373"	237.028918	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Na"	22.989218
"315727"	226.037947	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+H+Na"	23.996494
"708022"	333.057797	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+H+Na"	23.996494
"1462207"	119.018097	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H+Na"	23.996494
"1053508"	79.6811566666667	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2H+Na"	25.00377
"1259203"	247.073186	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+CH3OH+H"	33.033486
"383983"	467.042558	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+K"	38.963158
"747165"	681.082258	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+K"	38.963158
"1544112"	253.002858	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+K"	38.963158
"303477"	234.024917	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+H+K"	39.970434
"698817"	341.044767	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+H+K"	39.970434
"1450450"	127.005067	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H+K"	39.970434
"242336"	470.113226	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+ACN+H"	42.033826
"1215041"	256.073526	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+ACN+H"	42.033826
"1204396"	128.540401	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+ACN+2H"	43.041102
"197267"	473.05056	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+2Na-H"	44.97116
"634641"	687.09026	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+2Na-H"	44.97116
"1134865"	259.01086	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2Na-H"	44.97116
"178892"	237.028918	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+2Na"	45.978436
"620275"	344.048768	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+2Na"	45.978436
"1121957"	130.009068	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2Na"	45.978436
"1405847"	87.0084706666667	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H+2Na"	46.985712
"1437964"	261.052446	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H+HCOOH"	47.012746
"220130"	242.06194	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+3H2O+2H"	56.04448
"1510617"	275.10449	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+IsoProp+H"	61.06479
"409040"	245.015888	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+Na+K"	61.952376
"770033"	352.035738	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+Na+K"	61.952376
"1666040"	137.996038	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Na+K"	61.952376
"251872"	492.095168	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+ACN+Na"	64.015768
"1225714"	278.055468	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+ACN+Na"	64.015768
"1712978"	278.078993	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+NH4+HCOOH"	64.039293
"1178903"	94.3357846666667	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+3Na"	68.967654
"1653177"	283.034388	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Na+HCOOH"	68.994688
"159674"	504.99844	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+2K-H"	76.91904
"598631"	719.03814	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+2K-H"	76.91904
"1096520"	290.95874	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2K-H"	76.91904
"151511"	253.002858	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"2M+2K"	77.926316
"584508"	360.022708	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"3M+2K"	77.926316
"1072299"	145.983008	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2K"	77.926316
"1105511"	292.973292	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2K+H"	78.933592
"1340804"	293.060907	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+DMSO+H"	79.021207
"1011520"	297.100076	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2ACN+H"	83.060376
"1527462"	298.093708	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+IsoProp+Na+H"	84.054008
"997192"	149.053676	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+2ACN+2H"	84.067652
"1587563"	299.008328	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+K+HCOOH"	84.968628
"1415169"	329.039838	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+H+CF3COOH"	115.000138
"1150929"	169.566951	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+3ACN+2H"	125.094202
"1701574"	346.066385	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+NH4+CF3COOH"	132.026685
"1635767"	351.02178	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+Na+CF3COOH"	136.98208
"1580533"	366.99572	"C13700"	"Clofibric acid"	"C10H11ClO3"	"214.0397"	"M+K+CF3COOH"	152.95602
"810898"	200.024	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M"	0
"989728"	181.00561	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-H2O-H"	-19.01839
"78422"	132.342057333333	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M-3H"	-3.021828
"514422"	199.016724	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M-3H"	-3.021828
"886756"	65.6673906666667	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-3H"	-3.021828
"3142"	199.016724	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M-2H"	-2.014552
"443792"	299.028724	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M-2H"	-2.014552
"824881"	99.004724	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-2H"	-2.014552
"82685"	399.040724	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M-H"	-1.007276
"521515"	599.064724	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M-H"	-1.007276
"900047"	199.016724	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-H"	-1.007276
"51141"	416.067271	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M-2H+NH4"	16.019271
"487535"	616.091271	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M-2H+NH4"	16.019271
"867409"	216.043271	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-2H+NH4"	16.019271
"35314"	421.022666	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M-2H+Na"	20.974666
"473173"	621.046666	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M-2H+Na"	20.974666
"850611"	220.998666	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-2H+Na"	20.974666
"1623303"	220.998666	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Na-2H"	20.974666
"95942"	217.005063	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M-H+Cl"	33.962126
"539393"	317.017063	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M-H+Cl"	33.962126
"929629"	116.993063	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-H+Cl"	33.962126
"270370"	435.017402	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+Cl"	34.969402
"661696"	635.041402	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+Cl"	34.969402
"1273611"	234.993402	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Cl"	34.969402
"18841"	436.996606	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M-2H+K"	36.948606
"460589"	637.020606	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M-2H+K"	36.948606
"836204"	236.972606	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-2H+K"	36.948606
"1559692"	236.972606	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+K-2H"	36.948606
"944296"	245.022194	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-H+HCOOH"	44.998194
"361780"	445.046201	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+HCOOH-H"	44.998201
"349675"	459.061851	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+Hac-H"	59.013851
"1502880"	259.037851	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Hac-H"	59.013851
"959491"	267.004151	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-H+NaCOOH"	66.980151
"110044"	234.993402	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+2Cl"	69.938804
"550387"	335.005402	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+2Cl"	69.938804
"1022591"	134.981402	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2Cl"	69.938804
"1242043"	278.942885	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Br"	78.918885
"1304733"	280.998872	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Cl+HCOOH"	80.974872
"1326135"	302.980829	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Cl+NaCOOH"	102.956829
"913910"	313.009586	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M-H+CF3COOH"	112.985586
"1288548"	348.986264	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Cl+CF3COOH"	148.962264
"1367437"	165.011324	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H-2H2O"	-35.012676
"1382987"	183.0213	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H-H2O"	-17.0027
"283160"	401.055276	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+H"	1.007276
"675754"	601.079276	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+H"	1.007276
"1351449"	201.031276	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H"	1.007276
"125754"	201.031276	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+2H"	2.014552
"565675"	301.043276	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+2H"	2.014552
"1037064"	101.019276	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2H"	2.014552
"204978"	134.356609333333	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+3H"	3.021828
"651100"	201.031276	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+3H"	3.021828
"1163879"	67.6819426666667	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+3H"	3.021828
"424287"	418.081823	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+NH4"	18.033823
"787290"	618.105823	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+NH4"	18.033823
"1685447"	218.057823	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+NH4"	18.033823
"331537"	209.5445495	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+H+NH4"	19.041099
"728334"	309.5565495	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+H+NH4"	19.041099
"1482155"	109.5325495	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H+NH4"	19.041099
"398645"	423.037218	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+Na"	22.989218
"756723"	623.061218	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+Na"	22.989218
"1603283"	223.013218	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Na"	22.989218
"315716"	212.022247	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+H+Na"	23.996494
"708012"	312.034247	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+H+Na"	23.996494
"1462076"	112.010247	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H+Na"	23.996494
"1054352"	75.0092566666667	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2H+Na"	25.00377
"1259679"	233.057486	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+CH3OH+H"	33.033486
"386279"	439.011158	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+K"	38.963158
"747275"	639.035158	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+K"	38.963158
"1544222"	238.987158	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+K"	38.963158
"300305"	220.009217	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+H+K"	39.970434
"696737"	320.021217	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+H+K"	39.970434
"1451654"	119.997217	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H+K"	39.970434
"241348"	442.081826	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+ACN+H"	42.033826
"1212965"	242.057826	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+ACN+H"	42.033826
"1204506"	121.532551	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+ACN+2H"	43.041102
"196284"	445.01916	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+2Na-H"	44.97116
"634751"	645.04316	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+2Na-H"	44.97116
"1138255"	244.99516	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2Na-H"	44.97116
"179728"	223.013218	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+2Na"	45.978436
"624394"	323.025218	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+2Na"	45.978436
"1118785"	123.001218	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2Na"	45.978436
"1408144"	82.3365706666667	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H+2Na"	46.985712
"1441353"	247.036746	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H+HCOOH"	47.012746
"224493"	228.04624	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+3H2O+2H"	56.04448
"1509633"	261.08879	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+IsoProp+H"	61.06479
"412601"	231.000188	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+Na+K"	61.952376
"771772"	331.012188	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+Na+K"	61.952376
"1666646"	130.988188	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Na+K"	61.952376
"251863"	464.063768	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+ACN+Na"	64.015768
"1225869"	264.039768	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+ACN+Na"	64.015768
"1712930"	264.063293	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+NH4+HCOOH"	64.039293
"1179624"	89.6638846666667	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+3Na"	68.967654
"1655118"	269.018688	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Na+HCOOH"	68.994688
"159426"	476.96704	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+2K-H"	76.91904
"599353"	676.99104	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+2K-H"	76.91904
"1088241"	276.94304	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2K-H"	76.91904
"150528"	238.987158	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"2M+2K"	77.926316
"586807"	338.999158	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"3M+2K"	77.926316
"1075692"	138.975158	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2K"	77.926316
"1111090"	278.957592	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2K+H"	78.933592
"1342008"	279.045207	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+DMSO+H"	79.021207
"1014915"	283.084376	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2ACN+H"	83.060376
"1534135"	284.078008	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+IsoProp+Na+H"	84.054008
"994023"	142.045826	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+2ACN+2H"	84.067652
"1592900"	284.992628	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+K+HCOOH"	84.968628
"1414791"	315.024138	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+H+CF3COOH"	115.000138
"1147393"	162.559101	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+3ACN+2H"	125.094202
"1704965"	332.050685	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+NH4+CF3COOH"	132.026685
"1634782"	337.00608	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+Na+CF3COOH"	136.98208
"1580643"	352.98002	"C13701"	"2-(4-Chlorophenoxy)propionic acid;2-(p-Chlorophenoxy)propionic acid;CPP"	"C9H9ClO3"	"200.024"	"M+K+CF3COOH"	152.95602
"814288"	453.9963	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M"	0
"984542"	434.97791	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-H2O-H"	-19.01839
"77159"	301.656924	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M-3H"	-3.021828
"511252"	452.989024	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M-3H"	-3.021828
"883585"	150.324824	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-3H"	-3.021828
"1794"	452.989024	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M-2H"	-2.014552
"440175"	679.987174	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M-2H"	-2.014552
"826084"	225.990874	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-2H"	-2.014552
"82795"	906.985324	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M-H"	-1.007276
"521261"	1360.981624	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M-H"	-1.007276
"900157"	452.989024	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-H"	-1.007276
"49064"	924.011871	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M-2H+NH4"	16.019271
"487157"	1378.008171	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M-2H+NH4"	16.019271
"867519"	470.015571	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-2H+NH4"	16.019271
"32870"	928.967266	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M-2H+Na"	20.974666
"473893"	1382.963566	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M-2H+Na"	20.974666
"851694"	474.970966	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-2H+Na"	20.974666
"1618791"	474.970966	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Na-2H"	20.974666
"95322"	470.977363	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M-H+Cl"	33.962126
"539503"	697.975513	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M-H+Cl"	33.962126
"928765"	243.979213	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-H+Cl"	33.962126
"269387"	942.962002	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+Cl"	34.969402
"661927"	1396.958302	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+Cl"	34.969402
"1273640"	488.965702	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Cl"	34.969402
"17858"	944.941206	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M-2H+K"	36.948606
"458512"	1398.937506	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M-2H+K"	36.948606
"835219"	490.944906	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-2H+K"	36.948606
"1558709"	490.944906	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+K-2H"	36.948606
"944406"	498.994494	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-H+HCOOH"	44.998194
"362982"	952.990801	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+HCOOH-H"	44.998201
"349056"	967.006451	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+Hac-H"	59.013851
"1502990"	513.010151	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Hac-H"	59.013851
"959033"	520.976451	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-H+NaCOOH"	66.980151
"111178"	488.965702	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+2Cl"	69.938804
"552074"	715.963852	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+2Cl"	69.938804
"1022702"	261.967552	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2Cl"	69.938804
"1243369"	532.915185	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Br"	78.918885
"1305089"	534.971172	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Cl+HCOOH"	80.974872
"1322965"	556.953129	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Cl+NaCOOH"	102.956829
"911953"	566.981886	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M-H+CF3COOH"	112.985586
"1288614"	602.958564	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Cl+CF3COOH"	148.962264
"1367306"	418.983624	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H-2H2O"	-35.012676
"1383584"	436.9936	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H-H2O"	-17.0027
"283150"	908.999876	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+H"	1.007276
"675766"	1362.996176	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+H"	1.007276
"1351508"	455.003576	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H"	1.007276
"126015"	455.003576	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+2H"	2.014552
"565831"	682.001726	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+2H"	2.014552
"1037457"	228.005426	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2H"	2.014552
"204871"	303.671476	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+3H"	3.021828
"645244"	455.003576	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+3H"	3.021828
"1163136"	152.339376	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+3H"	3.021828
"424620"	926.026423	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+NH4"	18.033823
"786546"	1380.022723	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+NH4"	18.033823
"1681910"	472.030123	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+NH4"	18.033823
"331277"	463.5168495	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+H+NH4"	19.041099
"723135"	690.5149995	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+H+NH4"	19.041099
"1478252"	236.5186995	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H+NH4"	19.041099
"396932"	930.981818	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+Na"	22.989218
"754516"	1384.978118	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+Na"	22.989218
"1602899"	476.985518	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Na"	22.989218
"314473"	465.994547	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+H+Na"	23.996494
"707213"	692.992697	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+H+Na"	23.996494
"1461494"	238.996397	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H+Na"	23.996494
"1052919"	159.66669	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2H+Na"	25.00377
"1261246"	487.029786	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+CH3OH+H"	33.033486
"382011"	946.955758	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+K"	38.963158
"738996"	1400.952058	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+K"	38.963158
"1546155"	492.959458	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+K"	38.963158
"299319"	473.981517	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+H+K"	39.970434
"695751"	700.979667	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+H+K"	39.970434
"1451762"	246.983367	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H+K"	39.970434
"241456"	950.026426	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+ACN+H"	42.033826
"1215263"	496.030126	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+ACN+H"	42.033826
"1205710"	248.518701	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+ACN+2H"	43.041102
"195300"	952.96376	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+2Na-H"	44.97116
"634861"	1406.96006	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+2Na-H"	44.97116
"1138365"	498.96746	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2Na-H"	44.97116
"178745"	476.985518	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+2Na"	45.978436
"624504"	703.983668	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+2Na"	45.978436
"1117802"	249.987368	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2Na"	45.978436
"1408254"	166.994004	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H+2Na"	46.985712
"1440370"	501.009046	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H+HCOOH"	47.012746
"224604"	482.01854	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+3H2O+2H"	56.04448
"1509379"	515.06109	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+IsoProp+H"	61.06479
"413075"	484.972488	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+Na+K"	61.952376
"770378"	711.970638	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+Na+K"	61.952376
"1666027"	257.974338	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Na+K"	61.952376
"251729"	972.008368	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+ACN+Na"	64.015768
"1225814"	518.012068	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+ACN+Na"	64.015768
"1712793"	518.035593	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+NH4+HCOOH"	64.039293
"1178802"	174.321318	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+3Na"	68.967654
"1654135"	522.990988	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Na+HCOOH"	68.994688
"158078"	984.91164	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+2K-H"	76.91904
"598369"	1438.90794	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+2K-H"	76.91904
"1088351"	530.91534	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2K-H"	76.91904
"150638"	492.959458	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"2M+2K"	77.926316
"585824"	719.957608	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"3M+2K"	77.926316
"1074709"	265.961308	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2K"	77.926316
"1111200"	532.929892	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2K+H"	78.933592
"1344304"	533.017507	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+DMSO+H"	79.021207
"1013931"	537.056676	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2ACN+H"	83.060376
"1533152"	538.050308	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+IsoProp+Na+H"	84.054008
"997413"	269.031976	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+2ACN+2H"	84.067652
"1589729"	538.964928	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+K+HCOOH"	84.968628
"1415023"	568.996438	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+H+CF3COOH"	115.000138
"1148230"	289.545251	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+3ACN+2H"	125.094202
"1705075"	586.022985	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+NH4+CF3COOH"	132.026685
"1636717"	590.97838	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+Na+CF3COOH"	136.98208
"1580753"	606.95232	"C13702"	"4-Acetamido-4-isothiocyanostilbene-22-disulphonic acid;SITS"	"C17H14N2O7S3"	"453.9963"	"M+K+CF3COOH"	152.95602
"811118"	356.0582	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M"	0
"984652"	337.03981	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-H2O-H"	-19.01839
"77269"	236.364857333333	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M-3H"	-3.021828
"511362"	355.050924	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M-3H"	-3.021828
"882602"	117.678790666667	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-3H"	-3.021828
"2269"	355.050924	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M-2H"	-2.014552
"440206"	533.080024	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M-2H"	-2.014552
"825101"	177.021824	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-2H"	-2.014552
"85092"	711.109124	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M-H"	-1.007276
"520399"	1067.167324	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M-H"	-1.007276
"902454"	355.050924	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-H"	-1.007276
"51361"	728.135671	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M-2H+NH4"	16.019271
"488733"	1084.193871	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M-2H+NH4"	16.019271
"870909"	372.077471	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-2H+NH4"	16.019271
"34441"	733.091066	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M-2H+Na"	20.974666
"474003"	1089.149266	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M-2H+Na"	20.974666
"853990"	377.032866	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-2H+Na"	20.974666
"1620242"	377.032866	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Na-2H"	20.974666
"96772"	373.039263	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M-H+Cl"	33.962126
"539614"	551.068363	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M-H+Cl"	33.962126
"927168"	195.010163	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-H+Cl"	33.962126
"267917"	747.085802	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+Cl"	34.969402
"663375"	1103.144002	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+Cl"	34.969402
"1275414"	391.027602	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Cl"	34.969402
"22342"	749.065006	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M-2H+K"	36.948606
"457529"	1105.123206	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M-2H+K"	36.948606
"833551"	393.006806	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-2H+K"	36.948606
"1557727"	393.006806	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+K-2H"	36.948606
"944153"	401.056394	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-H+HCOOH"	44.998194
"364919"	757.114601	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+HCOOH-H"	44.998201
"347710"	771.130251	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+Hac-H"	59.013851
"1503100"	415.072051	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Hac-H"	59.013851
"959711"	423.038351	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-H+NaCOOH"	66.980151
"110318"	391.027602	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+2Cl"	69.938804
"550323"	569.056702	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+2Cl"	69.938804
"1021511"	212.998502	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2Cl"	69.938804
"1243116"	434.977085	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Br"	78.918885
"1304345"	437.033072	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Cl+HCOOH"	80.974872
"1326355"	459.015029	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Cl+NaCOOH"	102.956829
"912673"	469.043786	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M-H+CF3COOH"	112.985586
"1289379"	505.020464	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Cl+CF3COOH"	148.962264
"1370093"	321.045524	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H-2H2O"	-35.012676
"1382751"	339.0555	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H-H2O"	-17.0027
"283017"	713.123676	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+H"	1.007276
"675883"	1069.181876	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+H"	1.007276
"1351541"	357.065476	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H"	1.007276
"126380"	357.065476	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+2H"	2.014552
"565732"	535.094576	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+2H"	2.014552
"1037776"	179.036376	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2H"	2.014552
"204459"	238.379409333333	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+3H"	3.021828
"644994"	357.065476	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+3H"	3.021828
"1163847"	119.693342666667	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+3H"	3.021828
"424816"	730.150223	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+NH4"	18.033823
"786411"	1086.208423	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+NH4"	18.033823
"1682745"	374.092023	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+NH4"	18.033823
"331266"	365.5787495	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+H+NH4"	19.041099
"724420"	543.6078495	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+H+NH4"	19.041099
"1479455"	187.5496495	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H+NH4"	19.041099
"398863"	735.105618	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+Na"	22.989218
"755119"	1091.163818	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+Na"	22.989218
"1603088"	379.047418	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Na"	22.989218
"315068"	368.056447	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+H+Na"	23.996494
"707488"	546.085547	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+H+Na"	23.996494
"1462539"	190.027347	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H+Na"	23.996494
"1053474"	127.020656666667	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2H+Na"	25.00377
"1257709"	389.091686	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+CH3OH+H"	33.033486
"377379"	751.079558	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+K"	38.963158
"738641"	1107.137758	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+K"	38.963158
"1546264"	395.021358	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+K"	38.963158
"299185"	376.043417	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+H+K"	39.970434
"692579"	554.072517	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+H+K"	39.970434
"1450775"	198.014317	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H+K"	39.970434
"241566"	754.150226	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+ACN+H"	42.033826
"1216463"	398.092026	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+ACN+H"	42.033826
"1199258"	199.549651	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+ACN+2H"	43.041102
"193223"	757.08756	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+2Na-H"	44.97116
"633877"	1113.14576	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+2Na-H"	44.97116
"1139568"	401.02936	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2Na-H"	44.97116
"177762"	379.047418	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+2Na"	45.978436
"621334"	557.076518	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+2Na"	45.978436
"1117912"	201.018318	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2Na"	45.978436
"1408364"	134.347970666667	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H+2Na"	46.985712
"1440480"	403.070946	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H+HCOOH"	47.012746
"230182"	384.08044	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+3H2O+2H"	56.04448
"1509002"	417.12299	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+IsoProp+H"	61.06479
"412821"	387.034388	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+Na+K"	61.952376
"770332"	565.063488	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+Na+K"	61.952376
"1667232"	209.005288	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Na+K"	61.952376
"251672"	776.132168	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+ACN+Na"	64.015768
"1225923"	420.073968	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+ACN+Na"	64.015768
"1714620"	420.097493	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+NH4+HCOOH"	64.039293
"1178625"	141.675284666667	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+3Na"	68.967654
"1653152"	425.052888	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Na+HCOOH"	68.994688
"161104"	789.03544	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+2K-H"	76.91904
"598844"	1145.09364	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+2K-H"	76.91904
"1088462"	432.97724	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2K-H"	76.91904
"141997"	395.021358	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"2M+2K"	77.926316
"587027"	573.050458	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"3M+2K"	77.926316
"1074820"	216.992258	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2K"	77.926316
"1111311"	434.991792	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2K+H"	78.933592
"1341135"	435.079407	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+DMSO+H"	79.021207
"1018412"	439.118576	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2ACN+H"	83.060376
"1528886"	440.112208	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+IsoProp+Na+H"	84.054008
"996429"	220.062926	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+2ACN+2H"	84.067652
"1590932"	441.026828	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+K+HCOOH"	84.968628
"1415864"	471.058338	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+H+CF3COOH"	115.000138
"1148707"	240.576201	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+3ACN+2H"	125.094202
"1708465"	488.084885	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+NH4+CF3COOH"	132.026685
"1635368"	493.04028	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+Na+CF3COOH"	136.98208
"1580863"	509.01422	"C13703"	"IAA-94;Indanyloxyacetic acid"	"C17H18Cl2O4"	"356.0582"	"M+K+CF3COOH"	152.95602
"814508"	800.0573	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M"	0
"984762"	781.03891	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-H2O-H"	-19.01839
"77016"	532.364257333333	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M-3H"	-3.021828
"511472"	799.050024	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M-3H"	-3.021828
"882712"	265.678490666667	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-3H"	-3.021828
"1286"	799.050024	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M-2H"	-2.014552
"441936"	1199.078674	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M-2H"	-2.014552
"827400"	399.021374	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-2H"	-2.014552
"82286"	1599.107324	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M-H"	-1.007276
"526949"	2399.164624	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M-H"	-1.007276
"897462"	799.050024	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-H"	-1.007276
"52565"	1616.133871	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M-2H+NH4"	16.019271
"489937"	2416.191171	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M-2H+NH4"	16.019271
"875030"	816.076571	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-2H+NH4"	16.019271
"34551"	1621.089266	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M-2H+Na"	20.974666
"473020"	2421.146566	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M-2H+Na"	20.974666
"853007"	821.031966	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-2H+Na"	20.974666
"1621445"	821.031966	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Na-2H"	20.974666
"100160"	817.038363	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M-H+Cl"	33.962126
"537901"	1217.067013	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M-H+Cl"	33.962126
"933238"	417.009713	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-H+Cl"	33.962126
"267540"	1635.084002	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+Cl"	34.969402
"662027"	2435.141302	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+Cl"	34.969402
"1278803"	835.026702	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Cl"	34.969402
"24640"	1637.063206	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M-2H+K"	36.948606
"459825"	2437.120506	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M-2H+K"	36.948606
"834712"	837.005906	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-2H+K"	36.948606
"1560023"	837.005906	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+K-2H"	36.948606
"946082"	845.055494	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-H+HCOOH"	44.998194
"365027"	1645.112801	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+HCOOH-H"	44.998201
"350004"	1659.128451	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+Hac-H"	59.013851
"1502117"	859.071151	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Hac-H"	59.013851
"961640"	867.037451	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-H+NaCOOH"	66.980151
"112008"	835.026702	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+2Cl"	69.938804
"550478"	1235.055352	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+2Cl"	69.938804
"1023288"	434.998052	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2Cl"	69.938804
"1242136"	878.976185	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Br"	78.918885
"1306044"	881.032172	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Cl+HCOOH"	80.974872
"1328652"	903.014129	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Cl+NaCOOH"	102.956829
"918615"	913.042886	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M-H+CF3COOH"	112.985586
"1289856"	949.019564	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Cl+CF3COOH"	148.962264
"1370204"	765.044624	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H-2H2O"	-35.012676
"1384057"	783.0546	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H-H2O"	-17.0027
"286294"	1601.121876	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+H"	1.007276
"675876"	2401.179176	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+H"	1.007276
"1351783"	801.064576	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H"	1.007276
"130142"	801.064576	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+2H"	2.014552
"566660"	1201.093226	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+2H"	2.014552
"1038132"	401.035926	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2H"	2.014552
"204613"	534.378809333333	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+3H"	3.021828
"644985"	801.064576	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+3H"	3.021828
"1165302"	267.693042666667	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+3H"	3.021828
"425538"	1618.148423	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+NH4"	18.033823
"787257"	2418.205723	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+NH4"	18.033823
"1683953"	818.091123	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+NH4"	18.033823
"332960"	809.5778495	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+H+NH4"	19.041099
"728662"	1209.6064995	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+H+NH4"	19.041099
"1484669"	409.5491995	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H+NH4"	19.041099
"401162"	1623.103818	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+Na"	22.989218
"759969"	2423.161118	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+Na"	22.989218
"1603328"	823.046518	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Na"	22.989218
"315187"	812.055547	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+H+Na"	23.996494
"707158"	1212.084197	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+H+Na"	23.996494
"1462406"	412.026897	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H+Na"	23.996494
"1053953"	275.020356666667	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2H+Na"	25.00377
"1265842"	833.090786	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+CH3OH+H"	33.033486
"382229"	1639.077758	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+K"	38.963158
"741401"	2439.135058	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+K"	38.963158
"1541999"	839.020458	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+K"	38.963158
"299899"	820.042517	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+H+K"	39.970434
"695971"	1220.071167	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+H+K"	39.970434
"1455260"	420.013867	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H+K"	39.970434
"239486"	1642.148426	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+ACN+H"	42.033826
"1215478"	842.091126	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+ACN+H"	42.033826
"1203742"	421.549201	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+ACN+2H"	43.041102
"198800"	1645.08576	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+2Na-H"	44.97116
"638361"	2445.14306	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+2Na-H"	44.97116
"1141865"	845.02846	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2Na-H"	44.97116
"177872"	823.046518	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+2Na"	45.978436
"621443"	1223.075168	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+2Na"	45.978436
"1120938"	423.017868	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2Na"	45.978436
"1409567"	282.347670666667	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H+2Na"	46.985712
"1439497"	847.070046	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H+HCOOH"	47.012746
"224823"	828.07954	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+3H2O+2H"	56.04448
"1508868"	861.12209	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+IsoProp+H"	61.06479
"410136"	831.033488	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+Na+K"	61.952376
"772104"	1231.062138	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+Na+K"	61.952376
"1667342"	431.004838	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Na+K"	61.952376
"251471"	1664.130368	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+ACN+Na"	64.015768
"1225878"	864.073068	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+ACN+Na"	64.015768
"1712893"	864.096593	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+NH4+HCOOH"	64.039293
"1178741"	289.674984666667	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+3Na"	68.967654
"1650831"	869.051988	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Na+HCOOH"	68.994688
"158663"	1677.03364	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+2K-H"	76.91904
"598225"	2477.09094	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+2K-H"	76.91904
"1085656"	876.97634	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2K-H"	76.91904
"141743"	839.020458	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"2M+2K"	77.926316
"586044"	1239.049108	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"3M+2K"	77.926316
"1072743"	438.991808	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2K"	77.926316
"1108141"	878.990892	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2K+H"	78.933592
"1341245"	879.078507	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+DMSO+H"	79.021207
"1011962"	883.117676	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2ACN+H"	83.060376
"1528995"	884.111308	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+IsoProp+Na+H"	84.054008
"994352"	442.062476	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+2ACN+2H"	84.067652
"1589949"	885.025928	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+K+HCOOH"	84.968628
"1415243"	915.057438	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+H+CF3COOH"	115.000138
"1149182"	462.575751	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+3ACN+2H"	125.094202
"1708575"	932.083985	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+NH4+CF3COOH"	132.026685
"1638030"	937.03938	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+Na+CF3COOH"	136.98208
"1580973"	953.01332	"C13704"	"TS-TM-calix(4)arene;5111723-Tetrasulfonato-25262728-tetramethoxy-calix(4)arene"	"C32H32O16S4"	"800.0573"	"M+K+CF3COOH"	152.95602
"811338"	300.111	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M"	0
"984872"	281.09261	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-H2O-H"	-19.01839
"75303"	199.066724	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M-3H"	-3.021828
"511582"	299.103724	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M-3H"	-3.021828
"883915"	99.029724	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-3H"	-3.021828
"1396"	299.103724	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M-2H"	-2.014552
"440032"	449.159224	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M-2H"	-2.014552
"827510"	149.048224	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-2H"	-2.014552
"81303"	599.214724	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M-H"	-1.007276
"524873"	899.325724	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M-H"	-1.007276
"899758"	299.103724	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-H"	-1.007276
"53769"	616.241271	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M-2H+NH4"	16.019271
"488588"	916.352271	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M-2H+NH4"	16.019271
"872225"	316.130271	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-2H+NH4"	16.019271
"33568"	621.196666	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M-2H+Na"	20.974666
"475315"	921.307666	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M-2H+Na"	20.974666
"853117"	321.085666	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-2H+Na"	20.974666
"1621554"	321.085666	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Na-2H"	20.974666
"101362"	317.092063	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M-H+Cl"	33.962126
"537647"	467.147563	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M-H+Cl"	33.962126
"930432"	167.036563	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-H+Cl"	33.962126
"267893"	635.191402	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+Cl"	34.969402
"662502"	935.302402	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+Cl"	34.969402
"1278913"	335.080402	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Cl"	34.969402
"24750"	637.170606	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M-2H+K"	36.948606
"458477"	937.281606	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M-2H+K"	36.948606
"834457"	337.059606	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-2H+K"	36.948606
"1559404"	337.059606	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+K-2H"	36.948606
"946923"	345.109194	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-H+HCOOH"	44.998194
"364043"	645.220201	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+HCOOH-H"	44.998201
"348291"	659.235851	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+Hac-H"	59.013851
"1504414"	359.124851	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Hac-H"	59.013851
"961022"	367.091151	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-H+NaCOOH"	66.980151
"111025"	335.080402	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+2Cl"	69.938804
"552047"	485.135902	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+2Cl"	69.938804
"1025586"	185.024902	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2Cl"	69.938804
"1242610"	379.029885	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Br"	78.918885
"1306882"	381.085872	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Cl+HCOOH"	80.974872
"1322191"	403.067829	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Cl+NaCOOH"	102.956829
"914704"	413.096586	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M-H+CF3COOH"	112.985586
"1289714"	449.073264	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Cl+CF3COOH"	148.962264
"1370313"	265.098324	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H-2H2O"	-35.012676
"1387812"	283.1083	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H-H2O"	-17.0027
"286402"	601.229276	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+H"	1.007276
"677732"	901.340276	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+H"	1.007276
"1355539"	301.118276	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H"	1.007276
"129159"	301.118276	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+2H"	2.014552
"567624"	451.173776	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+2H"	2.014552
"1038121"	151.062776	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2H"	2.014552
"204563"	201.081276	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+3H"	3.021828
"644731"	301.118276	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+3H"	3.021828
"1163470"	101.044276	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+3H"	3.021828
"424798"	618.255823	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+NH4"	18.033823
"787731"	918.366823	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+NH4"	18.033823
"1686979"	318.144823	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+NH4"	18.033823
"335258"	309.6315495	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+H+NH4"	19.041099
"729865"	459.6870495	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+H+NH4"	19.041099
"1485874"	159.5760495	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H+NH4"	19.041099
"403459"	623.211218	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+Na"	22.989218
"761173"	923.322218	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+Na"	22.989218
"1602953"	323.100218	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Na"	22.989218
"314934"	312.109247	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+H+Na"	23.996494
"707720"	462.164747	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+H+Na"	23.996494
"1463004"	162.053747	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H+Na"	23.996494
"1054183"	108.37159	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2H+Na"	25.00377
"1264858"	333.144486	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+CH3OH+H"	33.033486
"382339"	639.185158	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+K"	38.963158
"741875"	939.296158	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+K"	38.963158
"1544296"	339.074158	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+K"	38.963158
"300376"	320.096217	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+H+K"	39.970434
"694988"	470.151717	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+H+K"	39.970434
"1452091"	170.040717	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H+K"	39.970434
"239596"	642.255826	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+ACN+H"	42.033826
"1214495"	342.144826	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+ACN+H"	42.033826
"1200572"	171.576051	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+ACN+2H"	43.041102
"196723"	645.19316	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+2Na-H"	44.97116
"636284"	945.30416	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+2Na-H"	44.97116
"1139788"	345.08216	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2Na-H"	44.97116
"180898"	323.100218	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+2Na"	45.978436
"621917"	473.155718	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+2Na"	45.978436
"1118861"	173.044718	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2Na"	45.978436
"1402018"	115.698904	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H+2Na"	46.985712
"1438514"	347.123746	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H+HCOOH"	47.012746
"220674"	328.13324	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+3H2O+2H"	56.04448
"1508564"	361.17579	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+IsoProp+H"	61.06479
"409396"	331.087188	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+Na+K"	61.952376
"770000"	481.142688	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+Na+K"	61.952376
"1665993"	181.031688	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Na+K"	61.952376
"251652"	664.237768	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+ACN+Na"	64.015768
"1226185"	364.126768	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+ACN+Na"	64.015768
"1712802"	364.150293	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+NH4+HCOOH"	64.039293
"1178766"	123.026218	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+3Na"	68.967654
"1650455"	369.105688	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Na+HCOOH"	68.994688
"157435"	677.14104	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+2K-H"	76.91904
"598334"	977.25204	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+2K-H"	76.91904
"1084550"	377.03004	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2K-H"	76.91904
"141731"	339.074158	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"2M+2K"	77.926316
"581440"	489.129658	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"3M+2K"	77.926316
"1069694"	189.018658	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2K"	77.926316
"1103876"	379.044592	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2K+H"	78.933592
"1339168"	379.132207	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+DMSO+H"	79.021207
"1013164"	383.171376	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2ACN+H"	83.060376
"1528012"	384.165008	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+IsoProp+Na+H"	84.054008
"992275"	192.089326	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+2ACN+2H"	84.067652
"1591152"	385.079628	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+K+HCOOH"	84.968628
"1414503"	415.111138	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+H+CF3COOH"	115.000138
"1150385"	212.602601	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+3ACN+2H"	125.094202
"1708685"	432.137685	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+NH4+CF3COOH"	132.026685
"1638140"	437.09308	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+Na+CF3COOH"	136.98208
"1581083"	453.06702	"C13705"	"5-Nitro-2-(3-phenylpropylamino)benzoic acid;NPPB"	"C16H16N2O4"	"300.111"	"M+K+CF3COOH"	152.95602
"811448"	429.9777	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M"	0
"984982"	410.95931	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-H2O-H"	-19.01839
"74320"	285.644524	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M-3H"	-3.021828
"510599"	428.970424	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M-3H"	-3.021828
"882932"	142.318624	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-3H"	-3.021828
"409"	428.970424	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M-2H"	-2.014552
"443250"	643.959274	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M-2H"	-2.014552
"827620"	213.981574	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-2H"	-2.014552
"79226"	858.948124	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M-H"	-1.007276
"524983"	1288.925824	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M-H"	-1.007276
"900599"	428.970424	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-H"	-1.007276
"51693"	875.974671	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M-2H+NH4"	16.019271
"490159"	1305.952371	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M-2H+NH4"	16.019271
"874522"	445.996971	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-2H+NH4"	16.019271
"33799"	880.930066	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M-2H+Na"	20.974666
"474332"	1310.907766	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M-2H+Na"	20.974666
"853227"	450.952366	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-2H+Na"	20.974666
"1620572"	450.952366	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Na-2H"	20.974666
"101472"	446.958763	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M-H+Cl"	33.962126
"537757"	661.947613	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M-H+Cl"	33.962126
"931271"	231.969913	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-H+Cl"	33.962126
"268611"	894.924802	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+Cl"	34.969402
"662003"	1324.902502	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+Cl"	34.969402
"1275014"	464.947102	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Cl"	34.969402
"17935"	896.904006	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M-2H+K"	36.948606
"457250"	1326.881706	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M-2H+K"	36.948606
"834570"	466.926306	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-2H+K"	36.948606
"1557691"	466.926306	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+K-2H"	36.948606
"945938"	474.975894	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-H+HCOOH"	44.998194
"364884"	904.953601	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+HCOOH-H"	44.998201
"348764"	918.969251	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+Hac-H"	59.013851
"1504524"	488.991551	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Hac-H"	59.013851
"962587"	496.957851	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-H+NaCOOH"	66.980151
"111863"	464.947102	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+2Cl"	69.938804
"551183"	679.935952	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+2Cl"	69.938804
"1024965"	249.958252	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2Cl"	69.938804
"1243083"	508.896585	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Br"	78.918885
"1306992"	510.952572	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Cl+HCOOH"	80.974872
"1321938"	532.934529	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Cl+NaCOOH"	102.956829
"912627"	542.963286	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M-H+CF3COOH"	112.985586
"1290433"	578.939964	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Cl+CF3COOH"	148.962264
"1371150"	394.965024	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H-2H2O"	-35.012676
"1392296"	412.975	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H-H2O"	-17.0027
"287607"	860.962676	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+H"	1.007276
"677844"	1290.940376	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+H"	1.007276
"1357473"	430.984976	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H"	1.007276
"130362"	430.984976	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+2H"	2.014552
"567736"	645.973826	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+2H"	2.014552
"1038113"	215.996126	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2H"	2.014552
"205892"	287.659076	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+3H"	3.021828
"644721"	430.984976	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+3H"	3.021828
"1164063"	144.333176	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+3H"	3.021828
"425516"	877.989223	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+NH4"	18.033823
"788571"	1307.966923	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+NH4"	18.033823
"1687091"	448.011523	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+NH4"	18.033823
"335368"	439.4982495	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+H+NH4"	19.041099
"729976"	654.4870995	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+H+NH4"	19.041099
"1487077"	224.5093995	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H+NH4"	19.041099
"403570"	882.944618	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+Na"	22.989218
"759097"	1312.922318	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+Na"	22.989218
"1604157"	452.966918	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Na"	22.989218
"314680"	441.975947	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+H+Na"	23.996494
"709290"	656.964797	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+H+Na"	23.996494
"1462871"	226.987097	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H+Na"	23.996494
"1054172"	151.66049	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2H+Na"	25.00377
"1263875"	463.011186	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+CH3OH+H"	33.033486
"380265"	898.918558	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+K"	38.963158
"741622"	1328.896258	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+K"	38.963158
"1541486"	468.940858	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+K"	38.963158
"298902"	449.962917	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+H+K"	39.970434
"695098"	664.951767	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+H+K"	39.970434
"1445873"	234.974067	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H+K"	39.970434
"238613"	901.989226	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+ACN+H"	42.033826
"1210229"	472.011526	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+ACN+H"	42.033826
"1198495"	236.509401	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+ACN+2H"	43.041102
"199020"	904.92656	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+2Na-H"	44.97116
"637488"	1334.90426	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+2Na-H"	44.97116
"1140992"	474.94886	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2Na-H"	44.97116
"179914"	452.966918	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+2Na"	45.978436
"621663"	667.955768	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+2Na"	45.978436
"1123345"	237.978068	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2Na"	45.978436
"1406502"	158.987804	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H+2Na"	46.985712
"1440810"	476.990446	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H+HCOOH"	47.012746
"223942"	457.99994	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+3H2O+2H"	56.04448
"1509329"	491.04249	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+IsoProp+H"	61.06479
"409992"	460.953888	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+Na+K"	61.952376
"771106"	675.942738	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+Na+K"	61.952376
"1666224"	245.965038	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Na+K"	61.952376
"252618"	923.971168	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+ACN+Na"	64.015768
"1227512"	493.993468	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+ACN+Na"	64.015768
"1714940"	494.016993	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+NH4+HCOOH"	64.039293
"1181387"	166.315118	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+3Na"	68.967654
"1650565"	498.972388	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Na+HCOOH"	68.994688
"158031"	936.87444	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+2K-H"	76.91904
"598809"	1366.85214	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+2K-H"	76.91904
"1084780"	506.89674	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2K-H"	76.91904
"142567"	468.940858	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"2M+2K"	77.926316
"581766"	683.929708	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"3M+2K"	77.926316
"1070776"	253.952008	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2K"	77.926316
"1105079"	508.911292	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2K+H"	78.933592
"1343653"	508.998907	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+DMSO+H"	79.021207
"1013275"	513.038076	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2ACN+H"	83.060376
"1529215"	514.031708	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+IsoProp+Na+H"	84.054008
"996759"	257.022676	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+2ACN+2H"	84.067652
"1591262"	514.946328	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+K+HCOOH"	84.968628
"1415220"	544.977838	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+H+CF3COOH"	115.000138
"1148670"	277.535951	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+3ACN+2H"	125.094202
"1705514"	562.004385	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+NH4+CF3COOH"	132.026685
"1637886"	566.95978	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+Na+CF3COOH"	136.98208
"1581193"	582.93372	"C13706"	"DNDS;44-Dinitrostilbene-22-disulfonic acid"	"C14H10N2O10S2"	"429.9777"	"M+K+CF3COOH"	152.95602
"811558"	390.2218	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M"	0
"985092"	371.20341	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-H2O-H"	-19.01839
"75523"	259.140590666667	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M-3H"	-3.021828
"510709"	389.214524	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M-3H"	-3.021828
"883042"	129.066657333333	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-3H"	-3.021828
"882"	389.214524	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M-2H"	-2.014552
"444452"	584.325424	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M-2H"	-2.014552
"828823"	194.103624	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-2H"	-2.014552
"79820"	779.436324	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M-H"	-1.007276
"525093"	1169.658124	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M-H"	-1.007276
"900709"	389.214524	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-H"	-1.007276
"58364"	796.462871	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M-2H+NH4"	16.019271
"490269"	1186.684671	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M-2H+NH4"	16.019271
"874632"	406.241071	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-2H+NH4"	16.019271
"34881"	801.418266	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M-2H+Na"	20.974666
"475535"	1191.640066	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M-2H+Na"	20.974666
"849322"	411.196466	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-2H+Na"	20.974666
"1619464"	411.196466	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Na-2H"	20.974666
"98302"	407.202863	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M-H+Cl"	33.962126
"537867"	602.313763	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M-H+Cl"	33.962126
"929558"	212.091963	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-H+Cl"	33.962126
"267745"	815.413002	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+Cl"	34.969402
"660773"	1205.634802	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+Cl"	34.969402
"1274031"	425.191202	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Cl"	34.969402
"16584"	817.392206	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M-2H+K"	36.948606
"456388"	1207.614006	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M-2H+K"	36.948606
"835044"	427.170406	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-2H+K"	36.948606
"1557801"	427.170406	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+K-2H"	36.948606
"945320"	435.219994	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-H+HCOOH"	44.998194
"365358"	825.441801	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+HCOOH-H"	44.998201
"349605"	839.457451	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+Hac-H"	59.013851
"1501354"	449.235651	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Hac-H"	59.013851
"961968"	457.201951	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-H+NaCOOH"	66.980151
"112699"	425.191202	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+2Cl"	69.938804
"551534"	620.302102	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+2Cl"	69.938804
"1022280"	230.080302	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2Cl"	69.938804
"1242830"	469.140685	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Br"	78.918885
"1307467"	471.196672	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Cl+HCOOH"	80.974872
"1322050"	493.178629	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Cl+NaCOOH"	102.956829
"913833"	503.207386	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M-H+CF3COOH"	112.985586
"1290909"	539.184064	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Cl+CF3COOH"	148.962264
"1369437"	355.209124	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H-2H2O"	-35.012676
"1389126"	373.2191	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H-H2O"	-17.0027
"287717"	781.450876	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+H"	1.007276
"677954"	1171.672676	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+H"	1.007276
"1357583"	391.229076	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H"	1.007276
"128285"	391.229076	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+2H"	2.014552
"566384"	586.339976	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+2H"	2.014552
"1038100"	196.118176	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2H"	2.014552
"205394"	261.155142666667	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+3H"	3.021828
"645684"	391.229076	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+3H"	3.021828
"1163566"	131.081209333333	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+3H"	3.021828
"424775"	798.477423	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+NH4"	18.033823
"788682"	1188.699223	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+NH4"	18.033823
"1688294"	408.255623	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+NH4"	18.033823
"333292"	399.7423495	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+H+NH4"	19.041099
"730087"	594.8532495	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+H+NH4"	19.041099
"1487187"	204.6314495	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H+NH4"	19.041099
"403679"	803.432818	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+Na"	22.989218
"762488"	1193.654618	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+Na"	22.989218
"1603540"	413.211018	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Na"	22.989218
"315642"	402.220047	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+H+Na"	23.996494
"708429"	597.330947	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+H+Na"	23.996494
"1462860"	207.109147	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H+Na"	23.996494
"1054282"	138.408523333333	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2H+Na"	25.00377
"1258878"	423.255286	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+CH3OH+H"	33.033486
"380372"	819.406758	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+K"	38.963158
"739299"	1209.628558	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+K"	38.963158
"1540867"	429.184958	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+K"	38.963158
"301325"	410.207017	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+H+K"	39.970434
"695208"	605.317917	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+H+K"	39.970434
"1445782"	215.096117	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H+K"	39.970434
"236529"	822.477426	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+ACN+H"	42.033826
"1210700"	432.255626	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+ACN+H"	42.033826
"1198601"	216.631451	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+ACN+2H"	43.041102
"199130"	825.41476	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+2Na-H"	44.97116
"635410"	1215.63656	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+2Na-H"	44.97116
"1137821"	435.19296	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2Na-H"	44.97116
"181117"	413.211018	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+2Na"	45.978436
"618492"	608.321918	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+2Na"	45.978436
"1121996"	218.100118	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2Na"	45.978436
"1406612"	145.735837333333	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H+2Na"	46.985712
"1439827"	437.234546	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H+HCOOH"	47.012746
"224053"	418.24404	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+3H2O+2H"	56.04448
"1509319"	451.28659	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+IsoProp+H"	61.06479
"411804"	421.197988	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+Na+K"	61.952376
"770731"	616.308888	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+Na+K"	61.952376
"1666456"	226.087088	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Na+K"	61.952376
"252119"	844.459368	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+ACN+Na"	64.015768
"1227260"	454.237568	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+ACN+Na"	64.015768
"1713553"	454.261093	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+NH4+HCOOH"	64.039293
"1181133"	153.063151333333	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+3Na"	68.967654
"1652496"	459.216488	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Na+HCOOH"	68.994688
"159479"	857.36264	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+2K-H"	76.91904
"598916"	1247.58444	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+2K-H"	76.91904
"1085621"	467.14084	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2K-H"	76.91904
"143530"	429.184958	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"2M+2K"	77.926316
"583093"	624.295858	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"3M+2K"	77.926316
"1070886"	234.074058	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2K"	77.926316
"1105189"	469.155392	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2K+H"	78.933592
"1343762"	469.243007	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+DMSO+H"	79.021207
"1012292"	473.282176	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2ACN+H"	83.060376
"1532605"	474.275808	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+IsoProp+Na+H"	84.054008
"996869"	237.144726	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+2ACN+2H"	84.067652
"1588213"	475.190428	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+K+HCOOH"	84.968628
"1415940"	505.221938	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+H+CF3COOH"	115.000138
"1147564"	257.658001	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+3ACN+2H"	125.094202
"1705624"	522.248485	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+NH4+CF3COOH"	132.026685
"1636903"	527.20388	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+Na+CF3COOH"	136.98208
"1581303"	543.17782	"C13707"	"RU-0211;Lubiprostone"	"C20H32F2O5"	"390.2218"	"M+K+CF3COOH"	152.95602
"813857"	222.1117	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M"	0
"988486"	203.09331	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-H2O-H"	-19.01839
"74541"	147.067190666667	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M-3H"	-3.021828
"509726"	221.104424	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M-3H"	-3.021828
"887528"	73.0299573333333	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-3H"	-3.021828
"633"	221.104424	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M-2H"	-2.014552
"450038"	332.160274	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M-2H"	-2.014552
"828933"	110.048574	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-2H"	-2.014552
"84551"	443.216124	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M-H"	-1.007276
"524839"	665.327824	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M-H"	-1.007276
"904099"	221.104424	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-H"	-1.007276
"48631"	460.242671	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M-2H+NH4"	16.019271
"490744"	682.354371	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M-2H+NH4"	16.019271
"872557"	238.130971	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-2H+NH4"	16.019271
"32803"	465.198066	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M-2H+Na"	20.974666
"474551"	687.309766	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M-2H+Na"	20.974666
"849191"	243.086366	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-2H+Na"	20.974666
"1620065"	243.086366	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Na-2H"	20.974666
"97321"	239.092763	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M-H+Cl"	33.962126
"536884"	350.148613	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M-H+Cl"	33.962126
"931493"	128.036913	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-H+Cl"	33.962126
"270049"	479.192802	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+Cl"	34.969402
"660111"	701.304502	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+Cl"	34.969402
"1272880"	257.081102	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Cl"	34.969402
"15785"	481.172006	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M-2H+K"	36.948606
"455850"	703.283706	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M-2H+K"	36.948606
"835154"	259.060306	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-2H+K"	36.948606
"1555683"	259.060306	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+K-2H"	36.948606
"943361"	267.109894	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-H+HCOOH"	44.998194
"362185"	489.221601	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+HCOOH-H"	44.998201
"346797"	503.237251	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+Hac-H"	59.013851
"1495995"	281.125551	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Hac-H"	59.013851
"959168"	289.091851	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-H+NaCOOH"	66.980151
"111718"	257.081102	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+2Cl"	69.938804
"551281"	368.136952	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+2Cl"	69.938804
"1022634"	146.025252	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2Cl"	69.938804
"1244041"	301.030585	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Br"	78.918885
"1307943"	303.086572	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Cl+HCOOH"	80.974872
"1326901"	325.068529	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Cl+NaCOOH"	102.956829
"913584"	335.097286	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M-H+CF3COOH"	112.985586
"1290654"	371.073964	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Cl+CF3COOH"	148.962264
"1378299"	187.099024	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H-2H2O"	-35.012676
"1389236"	205.109	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H-H2O"	-17.0027
"284551"	445.230676	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+H"	1.007276
"679158"	667.342376	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+H"	1.007276
"1357694"	223.118976	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H"	1.007276
"131675"	223.118976	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+2H"	2.014552
"566011"	334.174826	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+2H"	2.014552
"1043318"	112.063126	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2H"	2.014552
"209031"	149.081742666667	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+3H"	3.021828
"644946"	223.118976	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+3H"	3.021828
"1164892"	75.0445093333333	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+3H"	3.021828
"427802"	462.257223	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+NH4"	18.033823
"787703"	684.368923	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+NH4"	18.033823
"1686218"	240.145523	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+NH4"	18.033823
"338869"	231.6322495	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+H+NH4"	19.041099
"724365"	342.6880995	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+H+NH4"	19.041099
"1484017"	120.5763995	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H+NH4"	19.041099
"403789"	467.212618	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+Na"	22.989218
"762598"	689.324318	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+Na"	22.989218
"1603650"	245.100918	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Na"	22.989218
"316364"	234.109947	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+H+Na"	23.996494
"709152"	345.165797	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+H+Na"	23.996494
"1466982"	123.054097	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H+Na"	23.996494
"1053666"	82.3718233333333	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2H+Na"	25.00377
"1258988"	255.145186	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+CH3OH+H"	33.033486
"378661"	483.186558	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+K"	38.963158
"739047"	705.298258	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+K"	38.963158
"1541340"	261.074858	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+K"	38.963158
"300702"	242.096917	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+H+K"	39.970434
"693131"	353.152767	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+H+K"	39.970434
"1446945"	131.041067	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H+K"	39.970434
"237367"	486.257226	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+ACN+H"	42.033826
"1211902"	264.145526	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+ACN+H"	42.033826
"1196523"	132.576401	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+ACN+2H"	43.041102
"194866"	489.19456	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+2Na-H"	44.97116
"634426"	711.30626	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+2Na-H"	44.97116
"1136838"	267.08286	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2Na-H"	44.97116
"179039"	245.100918	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+2Na"	45.978436
"617867"	356.156768	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+2Na"	45.978436
"1120282"	134.045068	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2Na"	45.978436
"1402346"	89.6991373333333	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H+2Na"	46.985712
"1434462"	269.124446	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H+HCOOH"	47.012746
"224163"	250.13394	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+3H2O+2H"	56.04448
"1510404"	283.17649	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+IsoProp+H"	61.06479
"408951"	253.087888	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+Na+K"	61.952376
"771814"	364.143738	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+Na+K"	61.952376
"1667413"	142.032038	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Na+K"	61.952376
"252235"	508.239168	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+ACN+Na"	64.015768
"1226643"	286.127468	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+ACN+Na"	64.015768
"1713340"	286.150993	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+NH4+HCOOH"	64.039293
"1179908"	97.0264513333333	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+3Na"	68.967654
"1654798"	291.106388	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Na+HCOOH"	68.994688
"159344"	521.14244	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+2K-H"	76.91904
"600490"	743.25414	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+2K-H"	76.91904
"1085368"	299.03074	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2K-H"	76.91904
"142911"	261.074858	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"2M+2K"	77.926316
"584297"	372.130708	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"3M+2K"	77.926316
"1074278"	150.019008	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2K"	77.926316
"1107488"	301.045292	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2K+H"	78.933592
"1344965"	301.132907	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+DMSO+H"	79.021207
"1013496"	305.172076	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2ACN+H"	83.060376
"1531623"	306.165708	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+IsoProp+Na+H"	84.054008
"990781"	153.089676	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+2ACN+2H"	84.067652
"1589295"	307.080328	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+K+HCOOH"	84.968628
"1415440"	337.111838	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+H+CF3COOH"	115.000138
"1150715"	173.602951	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+3ACN+2H"	125.094202
"1698807"	354.138385	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+NH4+CF3COOH"	132.026685
"1638106"	359.09378	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+Na+CF3COOH"	136.98208
"1581413"	375.06772	"C13708"	"IBMX;3-Isobutyl-1-methyxanthine"	"C10H14N4O2"	"222.1117"	"M+K+CF3COOH"	152.95602
"813970"	304.1899	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M"	0
"987504"	285.17151	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-H2O-H"	-19.01839
"72464"	201.785990666667	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M-3H"	-3.021828
"508743"	303.182624	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M-3H"	-3.021828
"889825"	100.389357333333	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-3H"	-3.021828
"2930"	303.182624	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M-2H"	-2.014552
"449055"	455.277574	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M-2H"	-2.014552
"828316"	151.087674	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-2H"	-2.014552
"84661"	607.372524	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M-H"	-1.007276
"528596"	911.562424	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M-H"	-1.007276
"903118"	303.182624	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-H"	-1.007276
"57492"	624.399071	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M-2H+NH4"	16.019271
"491588"	928.588971	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M-2H+NH4"	16.019271
"874859"	320.209171	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-2H+NH4"	16.019271
"36193"	629.354466	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M-2H+Na"	20.974666
"475754"	933.544366	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M-2H+Na"	20.974666
"853555"	325.164566	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-2H+Na"	20.974666
"1620905"	325.164566	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Na-2H"	20.974666
"97431"	321.170963	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M-H+Cl"	33.962126
"536993"	473.265913	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M-H+Cl"	33.962126
"930510"	169.076013	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-H+Cl"	33.962126
"270524"	643.349202	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+Cl"	34.969402
"662216"	947.539102	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+Cl"	34.969402
"1274619"	339.159302	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Cl"	34.969402
"16686"	645.328406	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M-2H+K"	36.948606
"456160"	949.518306	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M-2H+K"	36.948606
"834171"	341.138506	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-2H+K"	36.948606
"1558752"	341.138506	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+K-2H"	36.948606
"942943"	349.188094	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-H+HCOOH"	44.998194
"366673"	653.378001	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+HCOOH-H"	44.998201
"351648"	667.393651	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+Hac-H"	59.013851
"1493920"	363.203751	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Hac-H"	59.013851
"961099"	371.170051	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-H+NaCOOH"	66.980151
"112922"	339.159302	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+2Cl"	69.938804
"549986"	491.254252	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+2Cl"	69.938804
"1023838"	187.064352	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2Cl"	69.938804
"1247067"	383.108785	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Br"	78.918885
"1307330"	385.164772	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Cl+HCOOH"	80.974872
"1327013"	407.146729	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Cl+NaCOOH"	102.956829
"919164"	417.175486	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M-H+CF3COOH"	112.985586
"1293685"	453.152164	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Cl+CF3COOH"	148.962264
"1380964"	269.177224	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H-2H2O"	-35.012676
"1395905"	287.1872	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H-H2O"	-17.0027
"283687"	609.387076	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+H"	1.007276
"684735"	913.576976	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+H"	1.007276
"1356710"	305.197176	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H"	1.007276
"128505"	305.197176	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+2H"	2.014552
"565713"	457.292126	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+2H"	2.014552
"1040146"	153.102226	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2H"	2.014552
"206956"	203.800542666667	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+3H"	3.021828
"646516"	305.197176	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+3H"	3.021828
"1162939"	102.403909333333	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+3H"	3.021828
"426819"	626.413623	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+NH4"	18.033823
"788904"	930.603523	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+NH4"	18.033823
"1686327"	322.223723	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+NH4"	18.033823
"332420"	313.7104495	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+H+NH4"	19.041099
"724110"	465.8053995	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+H+NH4"	19.041099
"1477929"	161.6154995	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H+NH4"	19.041099
"398435"	631.369018	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+Na"	22.989218
"756269"	935.558918	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+Na"	22.989218
"1603765"	327.179118	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Na"	22.989218
"324133"	316.188147	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+H+Na"	23.996494
"717648"	468.283097	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+H+Na"	23.996494
"1466000"	164.093197	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H+Na"	23.996494
"1058151"	109.731223333333	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2H+Na"	25.00377
"1258734"	337.223386	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+CH3OH+H"	33.033486
"378767"	647.342958	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+K"	38.963158
"740128"	951.532858	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+K"	38.963158
"1541088"	343.153058	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+K"	38.963158
"302271"	324.175117	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+H+K"	39.970434
"692988"	476.270067	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+H+K"	39.970434
"1447538"	172.080167	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H+K"	39.970434
"240026"	650.413626	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+ACN+H"	42.033826
"1212129"	346.223726	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+ACN+H"	42.033826
"1195897"	173.615501	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+ACN+2H"	43.041102
"193883"	653.35096	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+2Na-H"	44.97116
"633806"	957.54086	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+2Na-H"	44.97116
"1134761"	349.16106	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2Na-H"	44.97116
"178057"	327.179118	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+2Na"	45.978436
"615427"	479.274068	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+2Na"	45.978436
"1116136"	175.084168	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2Na"	45.978436
"1400635"	117.058537333333	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H+2Na"	46.985712
"1431293"	351.202646	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H+HCOOH"	47.012746
"225367"	332.21214	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+3H2O+2H"	56.04448
"1509423"	365.25469	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+IsoProp+H"	61.06479
"409473"	335.166088	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+Na+K"	61.952376
"771560"	487.261038	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+Na+K"	61.952376
"1667889"	183.071138	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Na+K"	61.952376
"252223"	672.395568	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+ACN+Na"	64.015768
"1227483"	368.205668	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+ACN+Na"	64.015768
"1713450"	368.229193	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+NH4+HCOOH"	64.039293
"1179411"	124.385851333333	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+3Na"	68.967654
"1654908"	373.184588	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Na+HCOOH"	68.994688
"165051"	685.29884	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+2K-H"	76.91904
"603517"	989.48874	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+2K-H"	76.91904
"1085478"	381.10894	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2K-H"	76.91904
"145942"	343.153058	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"2M+2K"	77.926316
"586595"	495.248008	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"3M+2K"	77.926316
"1075482"	191.058108	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2K"	77.926316
"1105410"	383.123492	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2K+H"	78.933592
"1340701"	383.211107	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+DMSO+H"	79.021207
"1013604"	387.250276	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2ACN+H"	83.060376
"1526265"	388.243908	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+IsoProp+Na+H"	84.054008
"992717"	194.128776	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+2ACN+2H"	84.067652
"1590499"	389.158528	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+K+HCOOH"	84.968628
"1415188"	419.190038	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+H+CF3COOH"	115.000138
"1150826"	214.642051	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+3ACN+2H"	125.094202
"1708032"	436.216585	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+NH4+CF3COOH"	132.026685
"1637122"	441.17198	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+Na+CF3COOH"	136.98208
"1581523"	457.14592	"C13709"	"CPX;8-Cyclopentyl-13-dipropylxanthine"	"C16H24N4O2"	"304.1899"	"M+K+CF3COOH"	152.95602
"814806"	168.0899	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M"	0
"986519"	149.07151	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-H2O-H"	-19.01839
"75854"	111.052657333333	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M-3H"	-3.021828
"515414"	167.082624	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M-3H"	-3.021828
"887749"	55.0226906666667	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-3H"	-3.021828
"4136"	167.082624	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M-2H"	-2.014552
"450259"	251.127574	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M-2H"	-2.014552
"829157"	83.037674	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-2H"	-2.014552
"88051"	335.172524	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M-H"	-1.007276
"527614"	503.262424	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M-H"	-1.007276
"904324"	167.082624	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-H"	-1.007276
"53233"	352.199071	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M-2H+NH4"	16.019271
"493886"	520.288971	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M-2H+NH4"	16.019271
"876914"	184.109171	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-2H+NH4"	16.019271
"37764"	357.154466	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M-2H+Na"	20.974666
"480241"	525.244366	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M-2H+Na"	20.974666
"855126"	189.064566	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-2H+Na"	20.974666
"1623567"	189.064566	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Na-2H"	20.974666
"101919"	185.070963	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M-H+Cl"	33.962126
"541480"	269.115913	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M-H+Cl"	33.962126
"933901"	101.026013	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-H+Cl"	33.962126
"273185"	371.149202	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+Cl"	34.969402
"665241"	539.239102	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+Cl"	34.969402
"1276551"	203.059302	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Cl"	34.969402
"19107"	373.128406	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M-2H+K"	36.948606
"464866"	541.218306	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M-2H+K"	36.948606
"837562"	205.038506	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-2H+K"	36.948606
"1559228"	205.038506	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+K-2H"	36.948606
"945289"	213.088094	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-H+HCOOH"	44.998194
"367880"	381.178001	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+HCOOH-H"	44.998201
"350672"	395.193651	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+Hac-H"	59.013851
"1498042"	227.103751	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Hac-H"	59.013851
"963761"	235.070051	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-H+NaCOOH"	66.980151
"117042"	203.059302	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+2Cl"	69.938804
"550646"	287.104252	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+2Cl"	69.938804
"1025043"	119.014352	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2Cl"	69.938804
"1249364"	247.008785	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Br"	78.918885
"1314000"	249.064772	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Cl+HCOOH"	80.974872
"1329310"	271.046729	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Cl+NaCOOH"	102.956829
"921461"	281.075486	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M-H+CF3COOH"	112.985586
"1293795"	317.052164	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Cl+CF3COOH"	148.962264
"1381438"	133.077224	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H-2H2O"	-35.012676
"1396747"	151.0872	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H-H2O"	-17.0027
"295702"	337.187076	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+H"	1.007276
"687032"	505.276976	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+H"	1.007276
"1357914"	169.097176	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H"	1.007276
"134083"	169.097176	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+2H"	2.014552
"572551"	253.142126	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+2H"	2.014552
"1044631"	85.052226	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2H"	2.014552
"209253"	113.067209333333	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+3H"	3.021828
"648083"	169.097176	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+3H"	3.021828
"1168032"	57.0372426666667	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+3H"	3.021828
"429117"	354.213623	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+NH4"	18.033823
"791201"	522.303523	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+NH4"	18.033823
"1689718"	186.123723	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+NH4"	18.033823
"336906"	177.6104495	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+H+NH4"	19.041099
"729324"	261.6553995	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+H+NH4"	19.041099
"1486424"	93.5654995	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H+NH4"	19.041099
"405104"	359.169018	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+Na"	22.989218
"762819"	527.258918	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+Na"	22.989218
"1604727"	191.079118	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Na"	22.989218
"325336"	180.088147	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+H+Na"	23.996494
"718851"	264.133097	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+H+Na"	23.996494
"1469390"	96.043197	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H+Na"	23.996494
"1060447"	64.3645566666667	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2H+Na"	25.00377
"1263218"	201.123386	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+CH3OH+H"	33.033486
"383981"	375.142958	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+K"	38.963158
"742791"	543.232858	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+K"	38.963158
"1545936"	207.053058	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+K"	38.963158
"306392"	188.075117	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+H+K"	39.970434
"693347"	272.120067	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+H+K"	39.970434
"1448262"	104.030167	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H+K"	39.970434
"238315"	378.213626	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+ACN+H"	42.033826
"1212122"	210.123726	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+ACN+H"	42.033826
"1195885"	105.565501	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+ACN+2H"	43.041102
"191803"	381.15096	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+2Na-H"	44.97116
"633916"	549.24086	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+2Na-H"	44.97116
"1135235"	213.06106	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2Na-H"	44.97116
"177803"	191.079118	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+2Na"	45.978436
"614446"	275.124068	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+2Na"	45.978436
"1118679"	107.034168	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2Na"	45.978436
"1409134"	71.6918706666667	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H+2Na"	46.985712
"1436876"	215.102646	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H+HCOOH"	47.012746
"229851"	196.11214	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+3H2O+2H"	56.04448
"1512453"	229.15469	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+IsoProp+H"	61.06479
"410311"	199.066088	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+Na+K"	61.952376
"772041"	283.111038	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+Na+K"	61.952376
"1669464"	115.021138	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Na+K"	61.952376
"253793"	400.195568	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+ACN+Na"	64.015768
"1227598"	232.105668	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+ACN+Na"	64.015768
"1718674"	232.129193	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+NH4+HCOOH"	64.039293
"1180746"	79.0191846666667	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+3Na"	68.967654
"1656112"	237.084588	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Na+HCOOH"	68.994688
"163337"	413.09884	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+2K-H"	76.91904
"603627"	581.18874	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+2K-H"	76.91904
"1085952"	245.00894	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2K-H"	76.91904
"146048"	207.053058	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"2M+2K"	77.926316
"586702"	291.098008	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"3M+2K"	77.926316
"1076682"	123.008108	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2K"	77.926316
"1104425"	247.023492	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2K+H"	78.933592
"1341907"	247.111107	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+DMSO+H"	79.021207
"1012621"	251.150276	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2ACN+H"	83.060376
"1529654"	252.143908	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+IsoProp+Na+H"	84.054008
"993919"	126.078776	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+2ACN+2H"	84.067652
"1587327"	253.058528	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+K+HCOOH"	84.968628
"1415053"	283.090038	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+H+CF3COOH"	115.000138
"1153123"	146.592051	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+3ACN+2H"	125.094202
"1702675"	300.116585	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+NH4+CF3COOH"	132.026685
"1634243"	305.07198	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+Na+CF3COOH"	136.98208
"1581633"	321.04592	"C13710"	"4-PIOL;5-(4-Piperidyl)isoxazol-3-ol"	"C8H12N2O2"	"168.0899"	"M+K+CF3COOH"	152.95602
"816012"	156.0357	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M"	0
"987724"	137.01731	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-H2O-H"	-19.01839
"75604"	103.016524	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M-3H"	-3.021828
"515528"	155.028424	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M-3H"	-3.021828
"893331"	51.004624	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-3H"	-3.021828
"13000"	155.028424	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M-2H"	-2.014552
"454504"	233.046274	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M-2H"	-2.014552
"828174"	77.010574	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-2H"	-2.014552
"93149"	311.064124	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M-H"	-1.007276
"531007"	467.099824	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M-H"	-1.007276
"905529"	155.028424	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-H"	-1.007276
"56623"	328.090671	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M-2H+NH4"	16.019271
"495090"	484.126371	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M-2H+NH4"	16.019271
"876173"	172.054971	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-2H+NH4"	16.019271
"42978"	333.046066	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M-2H+Na"	20.974666
"481444"	489.081766	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M-2H+Na"	20.974666
"860337"	177.010366	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-2H+Na"	20.974666
"1628776"	177.010366	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Na-2H"	20.974666
"102028"	173.016763	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M-H+Cl"	33.962126
"540497"	251.034613	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M-H+Cl"	33.962126
"936196"	94.998913	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-H+Cl"	33.962126
"274025"	347.040802	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+Cl"	34.969402
"665351"	503.076502	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+Cl"	34.969402
"1278847"	191.005102	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Cl"	34.969402
"23226"	349.020006	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M-2H+K"	36.948606
"468254"	505.055706	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M-2H+K"	36.948606
"840588"	192.984306	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-2H+K"	36.948606
"1559338"	192.984306	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+K-2H"	36.948606
"947221"	201.033894	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-H+HCOOH"	44.998194
"367990"	357.069601	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+HCOOH-H"	44.998201
"355155"	371.085251	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+Hac-H"	59.013851
"1498515"	215.049551	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Hac-H"	59.013851
"961683"	223.015851	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-H+NaCOOH"	66.980151
"112414"	191.005102	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+2Cl"	69.938804
"553065"	269.022952	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+2Cl"	69.938804
"1021745"	112.987252	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2Cl"	69.938804
"1245098"	234.954585	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Br"	78.918885
"1316297"	237.010572	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Cl+HCOOH"	80.974872
"1330513"	258.992529	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Cl+NaCOOH"	102.956829
"921571"	269.021286	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M-H+CF3COOH"	112.985586
"1293905"	304.997964	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Cl+CF3COOH"	148.962264
"1382705"	121.023024	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H-2H2O"	-35.012676
"1397220"	139.033	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H-H2O"	-17.0027
"298000"	313.078676	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+H"	1.007276
"686048"	469.114376	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+H"	1.007276
"1359117"	157.042976	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H"	1.007276
"134192"	157.042976	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+2H"	2.014552
"571568"	235.060826	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+2H"	2.014552
"1043647"	79.025126	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2H"	2.014552
"214830"	105.031076	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+3H"	3.021828
"648923"	157.042976	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+3H"	3.021828
"1171422"	53.019176	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+3H"	3.021828
"431414"	330.105223	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+NH4"	18.033823
"790222"	486.140923	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+NH4"	18.033823
"1688738"	174.069523	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+NH4"	18.033823
"337015"	165.5562495	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+H+NH4"	19.041099
"733808"	243.5740995	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+H+NH4"	19.041099
"1488722"	87.5383995	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H+NH4"	19.041099
"405214"	335.060618	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+Na"	22.989218
"764023"	491.096318	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+Na"	22.989218
"1605565"	179.024918	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Na"	22.989218
"322166"	168.033947	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+H+Na"	23.996494
"715681"	246.051797	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+H+Na"	23.996494
"1466220"	90.016097	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H+Na"	23.996494
"1061651"	60.34649	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2H+Na"	25.00377
"1266609"	189.069186	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+CH3OH+H"	33.033486
"381904"	351.034558	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+K"	38.963158
"746182"	507.070258	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+K"	38.963158
"1546046"	194.998858	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+K"	38.963158
"308690"	176.020917	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+H+K"	39.970434
"693820"	254.038767	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+H+K"	39.970434
"1447639"	98.003067	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H+K"	39.970434
"239518"	354.105226	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+ACN+H"	42.033826
"1211865"	198.069526	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+ACN+H"	42.033826
"1196121"	99.538401	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+ACN+2H"	43.041102
"191911"	357.04256	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+2Na-H"	44.97116
"633298"	513.07826	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+2Na-H"	44.97116
"1138261"	201.00686	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2Na-H"	44.97116
"177909"	179.024918	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+2Na"	45.978436
"616377"	257.042768	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+2Na"	45.978436
"1117330"	101.007068	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2Na"	45.978436
"1408151"	67.673804	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H+2Na"	46.985712
"1433706"	203.048446	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H+HCOOH"	47.012746
"226681"	184.05794	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+3H2O+2H"	56.04448
"1511467"	217.10049	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+IsoProp+H"	61.06479
"413341"	187.011888	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+Na+K"	61.952376
"772513"	265.029738	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+Na+K"	61.952376
"1669575"	108.994038	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Na+K"	61.952376
"253176"	376.087168	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+ACN+Na"	64.015768
"1228072"	220.051468	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+ACN+Na"	64.015768
"1718784"	220.074993	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+NH4+HCOOH"	64.039293
"1180488"	75.001118	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+3Na"	68.967654
"1652578"	225.030388	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Na+HCOOH"	68.994688
"160901"	388.99044	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+2K-H"	76.91904
"603739"	545.02614	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+2K-H"	76.91904
"1089344"	232.95474	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2K-H"	76.91904
"145067"	194.998858	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"2M+2K"	77.926316
"586815"	273.016708	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"3M+2K"	77.926316
"1072421"	116.981008	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2K"	77.926316
"1103445"	234.969292	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2K+H"	78.933592
"1342016"	235.056907	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+DMSO+H"	79.021207
"1012730"	239.096076	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2ACN+H"	83.060376
"1529767"	240.089708	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+IsoProp+Na+H"	84.054008
"996215"	120.051676	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+2ACN+2H"	84.067652
"1587924"	241.004328	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+K+HCOOH"	84.968628
"1415044"	271.035838	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+H+CF3COOH"	115.000138
"1153234"	140.564951	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+3ACN+2H"	125.094202
"1706067"	288.062385	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+NH4+CF3COOH"	132.026685
"1635155"	293.01778	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+Na+CF3COOH"	136.98208
"1581743"	308.99172	"C13711"	"Thio-THIP;4567-Tetrahydroisothiazolo54-cpyridin-3-ol"	"C6H8N2OS"	"156.0357"	"M+K+CF3COOH"	152.95602
"816950"	318.2559	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M"	0
"989849"	299.23751	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"78549"	211.163324	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"518440"	317.248624	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"893440"	105.078024	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"15668"	317.248624	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"454856"	476.376574	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"831564"	158.120674	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"90463"	635.504524	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"532941"	953.760424	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"910623"	317.248624	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"61838"	652.531071	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"499574"	970.786971	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"875189"	334.275171	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"40898"	657.486466	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"482644"	975.742366	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"863361"	339.230566	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1625606"	339.230566	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"102137"	335.236963	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"542793"	494.364913	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"936306"	176.109013	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"272676"	671.481202	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"664368"	989.737102	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1278229"	353.225302	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"21148"	673.460406	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"469458"	991.716306	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"838512"	355.204506	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1556898"	355.204506	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"946604"	363.254094	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"364818"	681.510001	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"350891"	695.525651	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1497532"	377.269751	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"961062"	385.236051	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"110701"	353.225302	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"551717"	512.353252	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1021456"	194.097352	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1245209"	397.174785	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1308754"	399.230772	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1326250"	421.212729	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"914391"	431.241486	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1291099"	467.218164	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1381780"	283.243224	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1389677"	301.2532	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"293736"	637.519076	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"683971"	955.774976	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1358134"	319.263176	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"133209"	319.263176	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"571678"	478.391126	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1042664"	160.135226	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"214941"	213.177876	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"649033"	319.263176	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1171533"	107.092576	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"431524"	654.545623	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"792519"	972.801523	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1689941"	336.289723	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"337125"	327.7764495	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"731732"	486.9043995	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1487739"	168.6484995	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"404231"	659.501018	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"763039"	977.756918	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1606769"	341.245118	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"322276"	330.254147	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"714698"	489.382097	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1469610"	171.126197	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1058481"	114.41989	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1266719"	351.289386	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"382014"	675.474958	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"747384"	993.730858	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1545062"	357.219058	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"311716"	338.241117	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"693929"	497.369067	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1448113"	179.113167	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"236714"	678.545626	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1211977"	360.289726	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1197324"	180.648501	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"190928"	681.48296	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"632314"	999.73886	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1133510"	363.22706	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"175830"	341.245118	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"617580"	500.373068	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1116344"	182.117168	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1402058"	121.747204	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1433816"	365.268646	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"225697"	346.27814	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1510119"	379.32069	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"413814"	349.232088	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"772258"	508.360038	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1666078"	190.104138	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"252921"	700.527568	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1228907"	382.271668	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1713179"	382.295193	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1179744"	129.074518	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1657428"	387.250588	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"164290"	713.43084	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"603849"	1031.68674	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1088361"	395.17494	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"145177"	357.219058	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"586925"	516.347008	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1071437"	198.091108	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1104649"	397.189492	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1342126"	397.277107	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1009560"	401.316276	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1529877"	402.309908	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"996325"	201.161776	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1589373"	403.224528	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1417586"	433.256038	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1153344"	221.675051	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1706177"	450.282585	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1635265"	455.23798	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1581853"	471.21192	"C13712"	"Allopregnanolone;3alpha-Hydroxy-5alpha-pregnan-20-one;3alpha-OH DHP"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"814407"	334.2508	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M"	0
"987947"	315.23241	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H2O-H"	-19.01839
"76554"	221.826590666667	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-3H"	-3.021828
"513562"	333.243524	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-3H"	-3.021828
"892456"	110.409657333333	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-3H"	-3.021828
"13219"	333.243524	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H"	-2.014552
"449499"	500.368924	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H"	-2.014552
"832647"	166.118124	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H"	-2.014552
"90573"	667.494324	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-H"	-1.007276
"529040"	1001.745124	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-H"	-1.007276
"909029"	333.243524	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H"	-1.007276
"61218"	684.520871	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H+NH4"	16.019271
"496404"	1018.771671	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H+NH4"	16.019271
"873112"	350.270071	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H+NH4"	16.019271
"42101"	689.476266	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H+Na"	20.974666
"479473"	1023.727066	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H+Na"	20.974666
"856180"	355.225466	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H+Na"	20.974666
"1631182"	355.225466	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na-2H"	20.974666
"102247"	351.231863	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-H+Cl"	33.962126
"541809"	518.357263	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-H+Cl"	33.962126
"933135"	184.106463	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+Cl"	33.962126
"272786"	703.471002	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Cl"	34.969402
"664114"	1037.721802	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+Cl"	34.969402
"1278704"	369.220202	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl"	34.969402
"22353"	705.450206	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H+K"	36.948606
"470297"	1039.701006	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H+K"	36.948606
"834250"	371.199406	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H+K"	36.948606
"1559561"	371.199406	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K-2H"	36.948606
"949994"	379.248994	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+HCOOH"	44.998194
"367115"	713.499801	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+HCOOH-H"	44.998201
"353188"	727.515451	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Hac-H"	59.013851
"1496551"	393.264651	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Hac-H"	59.013851
"960082"	401.230951	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+NaCOOH"	66.980151
"111541"	369.220202	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2Cl"	69.938804
"554746"	536.345602	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2Cl"	69.938804
"1023180"	202.094802	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2Cl"	69.938804
"1243496"	413.169685	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Br"	78.918885
"1308135"	415.225672	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl+HCOOH"	80.974872
"1326360"	437.207629	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl+NaCOOH"	102.956829
"914501"	447.236386	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+CF3COOH"	112.985586
"1291209"	483.213064	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl+CF3COOH"	148.962264
"1381526"	299.238124	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H-2H2O"	-35.012676
"1386507"	317.2481	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H-H2O"	-17.0027
"290566"	669.508876	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H"	1.007276
"680801"	1003.759676	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H"	1.007276
"1357150"	335.258076	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H"	1.007276
"130039"	335.258076	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2H"	2.014552
"570695"	502.383476	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2H"	2.014552
"1044961"	168.132676	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2H"	2.014552
"215050"	223.841142666667	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+3H"	3.021828
"650236"	335.258076	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+3H"	3.021828
"1170549"	112.424209333333	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+3H"	3.021828
"434914"	686.535423	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+NH4"	18.033823
"793722"	1020.786223	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+NH4"	18.033823
"1688959"	352.284623	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+NH4"	18.033823
"338329"	343.7713495	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H+NH4"	19.041099
"732935"	510.8967495	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H+NH4"	19.041099
"1485663"	176.6459495	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+NH4"	19.041099
"406532"	691.490818	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Na"	22.989218
"762056"	1025.741618	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+Na"	22.989218
"1609065"	357.240018	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na"	22.989218
"327489"	346.249047	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H+Na"	23.996494
"716995"	513.374447	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H+Na"	23.996494
"1471907"	179.123647	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+Na"	23.996494
"1061871"	119.751523333333	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2H+Na"	25.00377
"1269017"	367.284286	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+CH3OH+H"	33.033486
"384309"	707.464758	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+K"	38.963158
"747493"	1041.715558	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+K"	38.963158
"1548452"	373.213958	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K"	38.963158
"311463"	354.236017	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H+K"	39.970434
"693676"	521.361417	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H+K"	39.970434
"1448224"	187.110617	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+K"	39.970434
"237188"	710.535426	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+ACN+H"	42.033826
"1211722"	376.284626	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+ACN+H"	42.033826
"1195247"	188.645951	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+ACN+2H"	43.041102
"190187"	713.47276	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2Na-H"	44.97116
"633153"	1047.72356	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2Na-H"	44.97116
"1134471"	379.22196	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2Na-H"	44.97116
"177034"	357.240018	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2Na"	45.978436
"616232"	524.365418	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2Na"	45.978436
"1117551"	190.114618	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2Na"	45.978436
"1405086"	127.078837333333	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+2Na"	46.985712
"1433925"	381.263546	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+HCOOH"	47.012746
"226899"	362.27304	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+3H2O+2H"	56.04448
"1514966"	395.31559	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+IsoProp+H"	61.06479
"413195"	365.226988	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Na+K"	61.952376
"774920"	532.352388	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+Na+K"	61.952376
"1668334"	198.101588	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na+K"	61.952376
"252665"	732.517368	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+ACN+Na"	64.015768
"1227923"	398.266568	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+ACN+Na"	64.015768
"1714503"	398.290093	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+NH4+HCOOH"	64.039293
"1179249"	134.406151333333	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+3Na"	68.967654
"1655347"	403.245488	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na+HCOOH"	68.994688
"163307"	745.42064	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2K-H"	76.91904
"601772"	1079.67144	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2K-H"	76.91904
"1088471"	411.16984	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2K-H"	76.91904
"148567"	373.213958	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2K"	77.926316
"587035"	540.339358	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2K"	77.926316
"1072641"	206.088558	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2K"	77.926316
"1109133"	413.184392	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2K+H"	78.933592
"1343330"	413.272007	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+DMSO+H"	79.021207
"1011858"	417.311176	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2ACN+H"	83.060376
"1529987"	418.304808	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+IsoProp+Na+H"	84.054008
"996435"	209.159226	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2ACN+2H"	84.067652
"1592032"	419.219428	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K+HCOOH"	84.968628
"1418790"	449.250938	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+CF3COOH"	115.000138
"1152360"	229.672501	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+3ACN+2H"	125.094202
"1706287"	466.277485	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+NH4+CF3COOH"	132.026685
"1640843"	471.23288	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na+CF3COOH"	136.98208
"1581963"	487.20682	"C13713"	"Allotetrahydrodeoxycorticosterone;5alpha-THDOC;3alpha21-Dihydroxy-5alpha-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K+CF3COOH"	152.95602
"816426"	128.0837	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M"	0
"987327"	109.06531	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-H2O-H"	-19.01839
"76298"	84.3818573333333	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M-3H"	-3.021828
"512579"	127.076424	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M-3H"	-3.021828
"890380"	41.6872906666667	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-3H"	-3.021828
"11143"	127.076424	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H"	-2.014552
"447422"	191.118274	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H"	-2.014552
"832277"	63.034574	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H"	-2.014552
"90683"	255.160124	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M-H"	-1.007276
"529150"	383.243824	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M-H"	-1.007276
"909139"	127.076424	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-H"	-1.007276
"61693"	272.186671	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H+NH4"	16.019271
"496514"	400.270371	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H+NH4"	16.019271
"872129"	144.102971	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H+NH4"	16.019271
"42211"	277.142066	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H+Na"	20.974666
"479583"	405.225766	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H+Na"	20.974666
"855197"	149.058366	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H+Na"	20.974666
"1628012"	149.058366	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na-2H"	20.974666
"102357"	145.064763	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M-H+Cl"	33.962126
"539003"	209.106613	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M-H+Cl"	33.962126
"933245"	81.022913	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+Cl"	33.962126
"269613"	291.136802	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Cl"	34.969402
"663493"	419.220502	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+Cl"	34.969402
"1278084"	163.053102	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl"	34.969402
"24650"	293.116006	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H+K"	36.948606
"464211"	421.199706	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H+K"	36.948606
"837640"	165.032306	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H+K"	36.948606
"1560036"	165.032306	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+K-2H"	36.948606
"946824"	173.081894	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+HCOOH"	44.998194
"367225"	301.165601	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+HCOOH-H"	44.998201
"347831"	315.181251	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Hac-H"	59.013851
"1497023"	187.097551	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Hac-H"	59.013851
"962376"	195.063851	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+NaCOOH"	66.980151
"112378"	163.053102	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2Cl"	69.938804
"555219"	227.094952	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2Cl"	69.938804
"1024746"	99.011252	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2Cl"	69.938804
"1241426"	207.002585	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Br"	78.918885
"1307880"	209.058572	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl+HCOOH"	80.974872
"1321731"	231.040529	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl+NaCOOH"	102.956829
"911531"	241.069286	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+CF3COOH"	112.985586
"1288577"	277.045964	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl+CF3COOH"	148.962264
"1376775"	93.071024	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H-2H2O"	-35.012676
"1386617"	111.081	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H-H2O"	-17.0027
"285573"	257.174676	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H"	1.007276
"677265"	385.258376	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H"	1.007276
"1353251"	129.090976	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H"	1.007276
"127352"	129.090976	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2H"	2.014552
"571899"	193.132826	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2H"	2.014552
"1041791"	65.049126	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2H"	2.014552
"215160"	86.3964093333333	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+3H"	3.021828
"649254"	129.090976	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+3H"	3.021828
"1171753"	43.7018426666667	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+3H"	3.021828
"433931"	274.201223	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+NH4"	18.033823
"793832"	402.284923	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+NH4"	18.033823
"1691256"	146.117523	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+NH4"	18.033823
"338440"	137.6042495	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H+NH4"	19.041099
"734139"	201.6460995	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H+NH4"	19.041099
"1485773"	73.5623995	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+NH4"	19.041099
"398985"	279.156618	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Na"	22.989218
"761075"	407.240318	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+Na"	22.989218
"1610268"	151.072918	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na"	22.989218
"325776"	140.081947	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H+Na"	23.996494
"713824"	204.123797	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H+Na"	23.996494
"1467643"	76.040097	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+Na"	23.996494
"1063803"	51.0291566666667	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2H+Na"	25.00377
"1269127"	161.117186	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+CH3OH+H"	33.033486
"383326"	295.130558	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+K"	38.963158
"743229"	423.214258	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+K"	38.963158
"1550748"	167.046858	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+K"	38.963158
"311208"	148.068917	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H+K"	39.970434
"694149"	212.110767	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H+K"	39.970434
"1449792"	84.027067	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+K"	39.970434
"236934"	298.201226	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+ACN+H"	42.033826
"1212561"	170.117526	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+ACN+H"	42.033826
"1196450"	85.562401	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+ACN+2H"	43.041102
"194427"	301.13856	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2Na-H"	44.97116
"633264"	429.22226	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2Na-H"	44.97116
"1135310"	173.05486	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2Na-H"	44.97116
"177144"	151.072918	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2Na"	45.978436
"615613"	215.114768	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2Na"	45.978436
"1117661"	87.031068	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2Na"	45.978436
"1405196"	58.3564706666667	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+2Na"	46.985712
"1433305"	175.096446	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+HCOOH"	47.012746
"225916"	156.10594	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+3H2O+2H"	56.04448
"1511067"	189.14849	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+IsoProp+H"	61.06479
"411483"	159.059888	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Na+K"	61.952376
"772478"	223.101738	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+Na+K"	61.952376
"1668444"	95.018038	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na+K"	61.952376
"253505"	320.183168	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+ACN+Na"	64.015768
"1226697"	192.099468	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+ACN+Na"	64.015768
"1714367"	192.122993	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+NH4+HCOOH"	64.039293
"1180086"	65.6837846666667	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+3Na"	68.967654
"1650352"	197.078388	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na+HCOOH"	68.994688
"161227"	333.08644	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2K-H"	76.91904
"598233"	461.17014	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2K-H"	76.91904
"1088581"	205.00274	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2K-H"	76.91904
"142600"	167.046858	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2K"	77.926316
"582770"	231.088708	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2K"	77.926316
"1072751"	103.005008	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2K"	77.926316
"1105963"	207.017292	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2K+H"	78.933592
"1341253"	207.104907	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+DMSO+H"	79.021207
"1010875"	211.144076	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2ACN+H"	83.060376
"1530097"	212.137708	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+IsoProp+Na+H"	84.054008
"996545"	106.075676	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+2ACN+2H"	84.067652
"1591049"	213.052328	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+K+HCOOH"	84.968628
"1416710"	243.083838	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+CF3COOH"	115.000138
"1151377"	126.588951	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+3ACN+2H"	125.094202
"1706397"	260.110385	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+NH4+CF3COOH"	132.026685
"1638766"	265.06578	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na+CF3COOH"	136.98208
"1582073"	281.03972	"C13714"	"alpha-EMGBL;2-Ethyl-2-methyl-4-butyrolactone"	"C7H12O2"	"128.0837"	"M+K+CF3COOH"	152.95602
"815720"	282.162	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M"	0
"985980"	263.14361	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-H2O-H"	-19.01839
"77505"	187.100724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M-3H"	-3.021828
"515970"	281.154724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M-3H"	-3.021828
"894866"	93.046724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-3H"	-3.021828
"14901"	281.154724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M-2H"	-2.014552
"451908"	422.235724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M-2H"	-2.014552
"829709"	140.073724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-2H"	-2.014552
"90794"	563.316724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M-H"	-1.007276
"531449"	845.478724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M-H"	-1.007276
"909495"	281.154724	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-H"	-1.007276
"61079"	580.343271	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M-2H+NH4"	16.019271
"502548"	862.505271	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M-2H+NH4"	16.019271
"879173"	298.181271	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-2H+NH4"	16.019271
"44510"	585.298666	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M-2H+Na"	20.974666
"475320"	867.460666	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M-2H+Na"	20.974666
"862600"	303.136666	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-2H+Na"	20.974666
"1628123"	303.136666	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Na-2H"	20.974666
"108423"	299.143063	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M-H+Cl"	33.962126
"542029"	440.224063	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M-H+Cl"	33.962126
"935543"	158.062063	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-H+Cl"	33.962126
"275195"	599.293402	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+Cl"	34.969402
"662511"	881.455402	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+Cl"	34.969402
"1276740"	317.131402	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Cl"	34.969402
"18202"	601.272606	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M-2H+K"	36.948606
"464326"	883.434606	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M-2H+K"	36.948606
"838847"	319.110606	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-2H+K"	36.948606
"1566709"	319.110606	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+K-2H"	36.948606
"955319"	327.160194	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-H+HCOOH"	44.998194
"372440"	609.322201	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+HCOOH-H"	44.998201
"350492"	623.337851	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+Hac-H"	59.013851
"1498959"	341.175851	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Hac-H"	59.013851
"961396"	349.142151	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-H+NaCOOH"	66.980151
"113582"	317.131402	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+2Cl"	69.938804
"554966"	458.212402	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+2Cl"	69.938804
"1025221"	176.050402	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2Cl"	69.938804
"1244436"	361.080885	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Br"	78.918885
"1309083"	363.136872	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Cl+HCOOH"	80.974872
"1322570"	385.118829	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Cl+NaCOOH"	102.956829
"919826"	395.147586	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M-H+CF3COOH"	112.985586
"1294347"	431.124264	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Cl+CF3COOH"	148.962264
"1373604"	247.149324	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H-2H2O"	-35.012676
"1386726"	265.1593	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H-H2O"	-17.0027
"285322"	565.331276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+H"	1.007276
"679928"	847.493276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+H"	1.007276
"1358464"	283.169276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H"	1.007276
"129167"	283.169276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+2H"	2.014552
"573103"	424.250276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+2H"	2.014552
"1052353"	142.088276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2H"	2.014552
"209804"	189.115276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+3H"	3.021828
"650458"	283.169276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+3H"	3.021828
"1169677"	95.061276	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+3H"	3.021828
"432948"	582.357823	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+NH4"	18.033823
"798318"	864.519823	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+NH4"	18.033823
"1696352"	300.195823	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+NH4"	18.033823
"337458"	291.6825495	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+H+NH4"	19.041099
"727694"	432.7635495	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+H+NH4"	19.041099
"1480421"	150.6015495	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H+NH4"	19.041099
"398005"	587.313218	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+Na"	22.989218
"758272"	869.475218	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+Na"	22.989218
"1607098"	305.151218	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Na"	22.989218
"314954"	294.160247	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+H+Na"	23.996494
"709194"	435.241247	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+H+Na"	23.996494
"1463379"	153.079247	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H+Na"	23.996494
"1055530"	102.38859	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2H+Na"	25.00377
"1258423"	315.195486	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+CH3OH+H"	33.033486
"377845"	603.287158	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+K"	38.963158
"739126"	885.449158	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+K"	38.963158
"1540775"	321.125158	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+K"	38.963158
"300379"	302.147217	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+H+K"	39.970434
"693529"	443.228217	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+H+K"	39.970434
"1447718"	161.066217	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H+K"	39.970434
"237777"	606.357826	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+ACN+H"	42.033826
"1214502"	324.195826	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+ACN+H"	42.033826
"1195102"	162.601551	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+ACN+2H"	43.041102
"189148"	609.29516	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+2Na-H"	44.97116
"630458"	891.45716	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+2Na-H"	44.97116
"1132260"	327.13316	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2Na-H"	44.97116
"177627"	305.151218	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+2Na"	45.978436
"617549"	446.232218	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+2Na"	45.978436
"1119963"	164.070218	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2Na"	45.978436
"1401664"	109.715904	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H+2Na"	46.985712
"1438521"	329.174746	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H+HCOOH"	47.012746
"222746"	310.18424	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+3H2O+2H"	56.04448
"1515188"	343.22679	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+IsoProp+H"	61.06479
"411957"	313.138188	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+Na+K"	61.952376
"771129"	454.219188	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+Na+K"	61.952376
"1665716"	172.057188	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Na+K"	61.952376
"252887"	628.339768	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+ACN+Na"	64.015768
"1226445"	346.177768	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+ACN+Na"	64.015768
"1713021"	346.201293	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+NH4+HCOOH"	64.039293
"1180568"	117.043218	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+3Na"	68.967654
"1654107"	351.156688	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Na+HCOOH"	68.994688
"166807"	641.24304	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+2K-H"	76.91904
"610988"	923.40504	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+2K-H"	76.91904
"1095254"	359.08104	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2K-H"	76.91904
"152074"	321.125158	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"2M+2K"	77.926316
"592725"	462.206158	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"3M+2K"	77.926316
"1076145"	180.044158	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2K"	77.926316
"1107166"	361.095592	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2K+H"	78.933592
"1344643"	361.183207	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+DMSO+H"	79.021207
"1017548"	365.222376	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2ACN+H"	83.060376
"1533487"	366.216008	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+IsoProp+Na+H"	84.054008
"995561"	183.114826	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+2ACN+2H"	84.067652
"1592253"	367.130628	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+K+HCOOH"	84.968628
"1424474"	397.162138	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+H+CF3COOH"	115.000138
"1152575"	203.628101	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+3ACN+2H"	125.094202
"1698482"	414.188685	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+NH4+CF3COOH"	132.026685
"1638876"	419.14408	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+Na+CF3COOH"	136.98208
"1582183"	435.11802	"C13715"	"Miltirone"	"C19H22O2"	"282.162"	"M+K+CF3COOH"	152.95602
"814376"	319.0991	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M"	0
"987546"	300.08071	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-H2O-H"	-19.01839
"73240"	211.725457333333	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M-3H"	-3.021828
"513892"	318.091824	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M-3H"	-3.021828
"892787"	105.359090666667	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-3H"	-3.021828
"15131"	318.091824	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M-2H"	-2.014552
"454204"	477.641374	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M-2H"	-2.014552
"832252"	158.542274	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-2H"	-2.014552
"93338"	637.190924	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M-H"	-1.007276
"531558"	956.290024	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M-H"	-1.007276
"910702"	318.091824	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-H"	-1.007276
"61185"	654.217471	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M-2H+NH4"	16.019271
"501108"	973.316571	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M-2H+NH4"	16.019271
"878790"	335.118371	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-2H+NH4"	16.019271
"43527"	659.172866	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M-2H+Na"	20.974666
"481992"	978.271966	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M-2H+Na"	20.974666
"863074"	340.073766	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-2H+Na"	20.974666
"1631515"	340.073766	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Na-2H"	20.974666
"106951"	336.080163	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M-H+Cl"	33.962126
"542139"	495.629713	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M-H+Cl"	33.962126
"935653"	176.530613	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-H+Cl"	33.962126
"271294"	673.167602	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+Cl"	34.969402
"661650"	992.266702	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+Cl"	34.969402
"1276850"	354.068502	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Cl"	34.969402
"18677"	675.146806	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M-2H+K"	36.948606
"464436"	994.245906	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M-2H+K"	36.948606
"838957"	356.047706	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-2H+K"	36.948606
"1566819"	356.047706	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+K-2H"	36.948606
"954336"	364.097294	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-H+HCOOH"	44.998194
"372916"	683.196401	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+HCOOH-H"	44.998201
"355706"	697.212051	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+Hac-H"	59.013851
"1503444"	378.112951	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Hac-H"	59.013851
"966611"	386.079251	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-H+NaCOOH"	66.980151
"112601"	354.068502	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+2Cl"	69.938804
"557264"	513.618052	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+2Cl"	69.938804
"1027158"	194.518952	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2Cl"	69.938804
"1244181"	398.017985	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Br"	78.918885
"1304450"	400.073972	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Cl+HCOOH"	80.974872
"1322316"	422.055929	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Cl+NaCOOH"	102.956829
"911508"	432.084686	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M-H+CF3COOH"	112.985586
"1294459"	468.061364	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Cl+CF3COOH"	148.962264
"1367518"	284.086424	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H-2H2O"	-35.012676
"1385015"	302.0964	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H-H2O"	-17.0027
"288712"	639.205476	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+H"	1.007276
"676879"	958.304576	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+H"	1.007276
"1355294"	320.106376	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H"	1.007276
"128184"	320.106376	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+2H"	2.014552
"573213"	479.655926	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+2H"	2.014552
"1043107"	160.556826	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2H"	2.014552
"211007"	213.740009333333	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+3H"	3.021828
"647288"	320.106376	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+3H"	3.021828
"1167599"	107.373642666667	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+3H"	3.021828
"426498"	656.232023	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+NH4"	18.033823
"794053"	975.331123	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+NH4"	18.033823
"1689289"	337.132923	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+NH4"	18.033823
"335379"	328.6196495	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+H+NH4"	19.041099
"729991"	488.1691995	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+H+NH4"	19.041099
"1479438"	169.0700995	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H+NH4"	19.041099
"397021"	661.187418	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+Na"	22.989218
"757286"	980.286518	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+Na"	22.989218
"1608306"	342.088318	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Na"	22.989218
"316158"	331.097347	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+H+Na"	23.996494
"708086"	490.646897	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+H+Na"	23.996494
"1462517"	171.547797	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H+Na"	23.996494
"1055641"	114.700956666667	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2H+Na"	25.00377
"1260598"	352.132586	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+CH3OH+H"	33.033486
"377957"	677.161358	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+K"	38.963158
"741262"	996.260458	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+K"	38.963158
"1543315"	358.062258	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+K"	38.963158
"300124"	339.084317	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+H+K"	39.970434
"694005"	498.633867	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+H+K"	39.970434
"1447097"	179.534767	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H+K"	39.970434
"236550"	680.232026	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+ACN+H"	42.033826
"1212789"	361.132926	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+ACN+H"	42.033826
"1195816"	181.070101	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+ACN+2H"	43.041102
"189416"	683.16936	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+2Na-H"	44.97116
"629350"	1002.26846	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+2Na-H"	44.97116
"1135896"	364.07026	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2Na-H"	44.97116
"178830"	342.088318	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+2Na"	45.978436
"617296"	501.637868	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+2Na"	45.978436
"1120438"	182.538768	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2Na"	45.978436
"1401410"	122.028270666667	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H+2Na"	46.985712
"1439725"	366.111846	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H+HCOOH"	47.012746
"223951"	347.12134	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+3H2O+2H"	56.04448
"1515298"	380.16389	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+IsoProp+H"	61.06479
"414985"	350.075288	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+Na+K"	61.952376
"771240"	509.624838	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+Na+K"	61.952376
"1665867"	190.525738	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Na+K"	61.952376
"252020"	702.213968	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+ACN+Na"	64.015768
"1226188"	383.114868	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+ACN+Na"	64.015768
"1714223"	383.138393	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+NH4+HCOOH"	64.039293
"1182865"	129.355584666667	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+3Na"	68.967654
"1655679"	388.093788	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Na+HCOOH"	68.994688
"166553"	715.11724	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+2K-H"	76.91904
"609761"	1034.21634	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+2K-H"	76.91904
"1098285"	396.01814	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2K-H"	76.91904
"155465"	358.062258	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"2M+2K"	77.926316
"591741"	517.611808	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"3M+2K"	77.926316
"1078443"	198.512708	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2K"	77.926316
"1105090"	398.032692	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2K+H"	78.933592
"1348034"	398.120307	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+DMSO+H"	79.021207
"1015471"	402.159476	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2ACN+H"	83.060376
"1533598"	403.153108	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+IsoProp+Na+H"	84.054008
"1003327"	201.583376	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+2ACN+2H"	84.067652
"1591271"	404.067728	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+K+HCOOH"	84.968628
"1421303"	434.099238	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+H+CF3COOH"	115.000138
"1155968"	222.096651	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+3ACN+2H"	125.094202
"1703333"	451.125785	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+NH4+CF3COOH"	132.026685
"1635706"	456.08118	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+Na+CF3COOH"	136.98208
"1582293"	472.05512	"C13716"	"Ro 19-4603;RO19-4603"	"C15H17N3O3S"	"319.0991"	"M+K+CF3COOH"	152.95602
"816635"	128.0837	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M"	0
"989439"	109.06531	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-H2O-H"	-19.01839
"77967"	84.3818573333333	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M-3H"	-3.021828
"517893"	127.076424	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M-3H"	-3.021828
"895415"	41.6872906666667	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-3H"	-3.021828
"14754"	127.076424	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H"	-2.014552
"454925"	191.118274	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H"	-2.014552
"832641"	63.034574	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H"	-2.014552
"94146"	255.160124	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M-H"	-1.007276
"534125"	383.243824	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M-H"	-1.007276
"911250"	127.076424	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-H"	-1.007276
"61784"	272.186671	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H+NH4"	16.019271
"500125"	400.270371	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H+NH4"	16.019271
"878904"	144.102971	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H+NH4"	16.019271
"45461"	277.142066	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H+Na"	20.974666
"485992"	405.225766	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H+Na"	20.974666
"863553"	149.058366	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H+Na"	20.974666
"1631625"	149.058366	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na-2H"	20.974666
"105967"	145.064763	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M-H+Cl"	33.962126
"545527"	209.106613	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M-H+Cl"	33.962126
"940136"	81.022913	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+Cl"	33.962126
"276506"	291.136802	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Cl"	34.969402
"667835"	419.220502	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+Cl"	34.969402
"1283520"	163.053102	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl"	34.969402
"20609"	293.116006	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M-2H+K"	36.948606
"461263"	421.199706	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M-2H+K"	36.948606
"839067"	165.032306	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-2H+K"	36.948606
"1565834"	165.032306	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+K-2H"	36.948606
"953716"	173.081894	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+HCOOH"	44.998194
"374848"	301.165601	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+HCOOH-H"	44.998201
"356910"	315.181251	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Hac-H"	59.013851
"1501371"	187.097551	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Hac-H"	59.013851
"969637"	195.063851	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+NaCOOH"	66.980151
"119638"	163.053102	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2Cl"	69.938804
"560655"	227.094952	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2Cl"	69.938804
"1034558"	99.011252	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2Cl"	69.938804
"1243199"	207.002585	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Br"	78.918885
"1304924"	209.058572	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl+HCOOH"	80.974872
"1324614"	231.040529	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl+NaCOOH"	102.956829
"920046"	241.069286	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M-H+CF3COOH"	112.985586
"1300037"	277.045964	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Cl+CF3COOH"	148.962264
"1367628"	93.071024	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H-2H2O"	-35.012676
"1386948"	111.081	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H-H2O"	-17.0027
"288822"	257.174676	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H"	1.007276
"676868"	385.258376	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H"	1.007276
"1353217"	129.090976	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H"	1.007276
"128658"	129.090976	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2H"	2.014552
"574416"	193.132826	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2H"	2.014552
"1049777"	65.049126	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2H"	2.014552
"213304"	86.3964093333333	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+3H"	3.021828
"648491"	129.090976	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+3H"	3.021828
"1166615"	43.7018426666667	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+3H"	3.021828
"428066"	274.201223	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+NH4"	18.033823
"796351"	402.284923	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+NH4"	18.033823
"1694140"	146.117523	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+NH4"	18.033823
"340956"	137.6042495	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H+NH4"	19.041099
"733381"	201.6460995	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H+NH4"	19.041099
"1481735"	73.5623995	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+NH4"	19.041099
"399320"	279.156618	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Na"	22.989218
"762501"	407.240318	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+Na"	22.989218
"1609509"	151.072918	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na"	22.989218
"316268"	140.081947	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H+Na"	23.996494
"708686"	204.123797	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H+Na"	23.996494
"1464695"	76.040097	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+Na"	23.996494
"1057937"	51.0291566666667	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2H+Na"	25.00377
"1261801"	161.117186	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+CH3OH+H"	33.033486
"380379"	295.130558	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+K"	38.963158
"741374"	423.214258	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+K"	38.963158
"1544518"	167.046858	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+K"	38.963158
"304974"	148.068917	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+H+K"	39.970434
"697395"	212.110767	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+H+K"	39.970434
"1449030"	84.027067	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+K"	39.970434
"237632"	298.201226	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+ACN+H"	42.033826
"1213629"	170.117526	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+ACN+H"	42.033826
"1194633"	85.562401	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+ACN+2H"	43.041102
"188836"	301.13856	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2Na-H"	44.97116
"630436"	429.22226	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2Na-H"	44.97116
"1134547"	173.05486	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2Na-H"	44.97116
"174685"	151.072918	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2Na"	45.978436
"623968"	215.114768	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2Na"	45.978436
"1121277"	87.031068	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2Na"	45.978436
"1401519"	58.3564706666667	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+2Na"	46.985712
"1436553"	175.096446	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+HCOOH"	47.012746
"221870"	156.10594	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+3H2O+2H"	56.04448
"1519783"	189.14849	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+IsoProp+H"	61.06479
"416188"	159.059888	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+Na+K"	61.952376
"774998"	223.101738	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+Na+K"	61.952376
"1668411"	95.018038	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na+K"	61.952376
"253837"	320.183168	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+ACN+Na"	64.015768
"1227275"	192.099468	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+ACN+Na"	64.015768
"1713361"	192.122993	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+NH4+HCOOH"	64.039293
"1182611"	65.6837846666667	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+3Na"	68.967654
"1654695"	197.078388	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na+HCOOH"	68.994688
"160462"	333.08644	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2K-H"	76.91904
"597578"	461.17014	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2K-H"	76.91904
"1093286"	205.00274	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2K-H"	76.91904
"151197"	167.046858	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"2M+2K"	77.926316
"588570"	231.088708	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"3M+2K"	77.926316
"1079644"	103.005008	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2K"	77.926316
"1110668"	207.017292	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2K+H"	78.933592
"1342678"	207.104907	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+DMSO+H"	79.021207
"1013395"	211.144076	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2ACN+H"	83.060376
"1532613"	212.137708	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+IsoProp+Na+H"	84.054008
"993594"	106.075676	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+2ACN+2H"	84.067652
"1600129"	213.052328	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+K+HCOOH"	84.968628
"1429438"	243.083838	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+H+CF3COOH"	115.000138
"1152799"	126.588951	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+3ACN+2H"	125.094202
"1706724"	260.110385	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+NH4+CF3COOH"	132.026685
"1635816"	265.06578	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+Na+CF3COOH"	136.98208
"1582403"	281.03972	"C13717"	"beta-EMGBL;beta-Ethyl-beta-methyl-gamma-butyrolactone"	"C7H12O2"	"128.0837"	"M+K+CF3COOH"	152.95602
"809488"	377.8706	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M"	0
"988495"	358.85221	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-H2O-H"	-19.01839
"76738"	250.906457333333	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M-3H"	-3.021828
"517759"	376.863324	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M-3H"	-3.021828
"893979"	124.949590666667	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-3H"	-3.021828
"13770"	376.863324	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M-2H"	-2.014552
"455154"	565.798624	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M-2H"	-2.014552
"832105"	187.928024	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-2H"	-2.014552
"90030"	754.733924	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M-H"	-1.007276
"527404"	1132.604524	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M-H"	-1.007276
"909579"	376.863324	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-H"	-1.007276
"60552"	771.760471	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M-2H+NH4"	16.019271
"493673"	1149.631071	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M-2H+NH4"	16.019271
"873663"	393.889871	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-2H+NH4"	16.019271
"41561"	776.715866	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M-2H+Na"	20.974666
"485494"	1154.586466	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M-2H+Na"	20.974666
"863826"	398.845266	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-2H+Na"	20.974666
"1632829"	398.845266	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Na-2H"	20.974666
"106077"	394.851663	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M-H+Cl"	33.962126
"548677"	583.786963	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M-H+Cl"	33.962126
"934779"	205.916363	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-H+Cl"	33.962126
"268962"	790.710602	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+Cl"	34.969402
"661746"	1168.581202	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+Cl"	34.969402
"1275247"	412.840002	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Cl"	34.969402
"20719"	792.689806	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M-2H+K"	36.948606
"460282"	1170.560406	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M-2H+K"	36.948606
"835895"	414.819206	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-2H+K"	36.948606
"1562662"	414.819206	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+K-2H"	36.948606
"950545"	422.868794	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-H+HCOOH"	44.998194
"367667"	800.739401	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+HCOOH-H"	44.998201
"359209"	814.755051	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+Hac-H"	59.013851
"1504760"	436.884451	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Hac-H"	59.013851
"967924"	444.850751	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-H+NaCOOH"	66.980151
"120112"	412.840002	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+2Cl"	69.938804
"557485"	601.775302	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+2Cl"	69.938804
"1033575"	223.904702	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2Cl"	69.938804
"1244037"	456.789485	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Br"	78.918885
"1309411"	458.845472	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Cl+HCOOH"	80.974872
"1322537"	480.827429	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Cl+NaCOOH"	102.956829
"912258"	490.856186	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M-H+CF3COOH"	112.985586
"1297960"	526.832864	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Cl+CF3COOH"	148.962264
"1371748"	342.857924	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H-2H2O"	-35.012676
"1387058"	360.8679	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H-H2O"	-17.0027
"284557"	756.748476	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+H"	1.007276
"677339"	1134.619076	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+H"	1.007276
"1353692"	378.877876	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H"	1.007276
"131685"	378.877876	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+2H"	2.014552
"581268"	567.813176	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+2H"	2.014552
"1052074"	189.942576	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2H"	2.014552
"209041"	252.921009333333	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+3H"	3.021828
"647508"	378.877876	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+3H"	3.021828
"1167819"	126.964142666667	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+3H"	3.021828
"431091"	773.775023	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+NH4"	18.033823
"790994"	1151.645623	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+NH4"	18.033823
"1693521"	395.904423	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+NH4"	18.033823
"337789"	387.3911495	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+H+NH4"	19.041099
"733492"	576.3264495	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+H+NH4"	19.041099
"1482938"	198.4558495	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H+NH4"	19.041099
"397607"	778.730418	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+Na"	22.989218
"760424"	1156.601018	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+Na"	22.989218
"1609618"	400.859818	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Na"	22.989218
"316378"	389.868847	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+H+Na"	23.996494
"710256"	578.804147	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+H+Na"	23.996494
"1464802"	200.933547	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H+Na"	23.996494
"1056952"	134.291456666667	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2H+Na"	25.00377
"1261182"	410.904086	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+CH3OH+H"	33.033486
"380123"	794.704358	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+K"	38.963158
"740390"	1172.574958	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+K"	38.963158
"1543537"	416.833758	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+K"	38.963158
"301804"	397.855817	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+H+K"	39.970434
"694226"	586.791117	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+H+K"	39.970434
"1446953"	208.920517	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H+K"	39.970434
"236649"	797.775026	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+ACN+H"	42.033826
"1212645"	419.904426	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+ACN+H"	42.033826
"1196162"	210.455851	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+ACN+2H"	43.041102
"188576"	800.71236	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+2Na-H"	44.97116
"631517"	1178.58296	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+2Na-H"	44.97116
"1133198"	422.84176	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2Na-H"	44.97116
"179047"	400.859818	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+2Na"	45.978436
"614593"	589.795118	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+2Na"	45.978436
"1120293"	211.924518	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2Na"	45.978436
"1400900"	141.618770666667	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H+2Na"	46.985712
"1435934"	424.883346	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H+HCOOH"	47.012746
"222344"	405.89284	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+3H2O+2H"	56.04448
"1519893"	438.93539	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+IsoProp+H"	61.06479
"413382"	408.846788	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+Na+K"	61.952376
"774743"	597.782088	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+Na+K"	61.952376
"1668521"	219.911488	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Na+K"	61.952376
"255405"	819.756968	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+ACN+Na"	64.015768
"1227385"	441.886368	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+ACN+Na"	64.015768
"1715174"	441.909893	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+NH4+HCOOH"	64.039293
"1182721"	148.946084666667	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+3Na"	68.967654
"1656992"	446.865288	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Na+HCOOH"	68.994688
"162759"	832.66024	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+2K-H"	76.91904
"597818"	1210.53084	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+2K-H"	76.91904
"1096678"	454.78964	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2K-H"	76.91904
"150213"	416.833758	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"2M+2K"	77.926316
"593055"	605.769058	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"3M+2K"	77.926316
"1079754"	227.898458	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2K"	77.926316
"1112964"	456.804192	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2K+H"	78.933592
"1346068"	456.891807	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+DMSO+H"	79.021207
"1019459"	460.930976	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2ACN+H"	83.060376
"1534910"	461.924608	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+IsoProp+Na+H"	84.054008
"996984"	230.969126	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+2ACN+2H"	84.067652
"1591488"	462.839228	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+K+HCOOH"	84.968628
"1429818"	492.870738	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+H+CF3COOH"	115.000138
"1156187"	251.482401	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+3ACN+2H"	125.094202
"1703553"	509.897285	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+NH4+CF3COOH"	132.026685
"1635926"	514.85268	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+Na+CF3COOH"	136.98208
"1582513"	530.82662	"C13718"	"Dieldrin"	"C12H8Cl6O"	"377.8706"	"M+K+CF3COOH"	152.95602
"809598"	301.0521	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M"	0
"987149"	282.03371	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-H2O-H"	-19.01839
"76847"	199.694124	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M-3H"	-3.021828
"515312"	300.044824	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M-3H"	-3.021828
"894939"	99.343424	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-3H"	-3.021828
"13516"	300.044824	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M-2H"	-2.014552
"452347"	450.570874	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M-2H"	-2.014552
"831607"	149.518774	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-2H"	-2.014552
"87954"	601.096924	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M-H"	-1.007276
"527513"	902.149024	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M-H"	-1.007276
"908960"	300.044824	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-H"	-1.007276
"57502"	618.123471	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M-2H+NH4"	16.019271
"499249"	919.175571	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M-2H+NH4"	16.019271
"870855"	317.071371	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-2H+NH4"	16.019271
"46044"	623.078866	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M-2H+Na"	20.974666
"485605"	924.130966	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M-2H+Na"	20.974666
"854656"	322.026766	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-2H+Na"	20.974666
"1628566"	322.026766	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Na-2H"	20.974666
"105093"	318.033163	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M-H+Cl"	33.962126
"545748"	468.559213	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M-H+Cl"	33.962126
"930514"	167.507113	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-H+Cl"	33.962126
"267613"	637.073602	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+Cl"	34.969402
"660764"	938.125702	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+Cl"	34.969402
"1274264"	336.021502	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Cl"	34.969402
"20829"	639.052806	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M-2H+K"	36.948606
"459297"	940.104906	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M-2H+K"	36.948606
"836005"	338.000706	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-2H+K"	36.948606
"1562772"	338.000706	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+K-2H"	36.948606
"949562"	346.050294	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-H+HCOOH"	44.998194
"367777"	647.102401	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+HCOOH-H"	44.998201
"357130"	661.118051	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+Hac-H"	59.013851
"1502684"	360.065951	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Hac-H"	59.013851
"965847"	368.032251	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-H+NaCOOH"	66.980151
"119128"	336.021502	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+2Cl"	69.938804
"558688"	486.547552	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+2Cl"	69.938804
"1027488"	185.495452	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2Cl"	69.938804
"1243054"	379.970985	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Br"	78.918885
"1307335"	382.026972	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Cl+HCOOH"	80.974872
"1321188"	404.008929	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Cl+NaCOOH"	102.956829
"912611"	414.037686	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M-H+CF3COOH"	112.985586
"1296977"	450.014364	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Cl+CF3COOH"	148.962264
"1371858"	266.039424	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H-2H2O"	-35.012676
"1382797"	284.0494	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H-H2O"	-17.0027
"282869"	603.111476	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+H"	1.007276
"675788"	904.163576	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+H"	1.007276
"1361093"	302.059376	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H"	1.007276
"129608"	302.059376	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+2H"	2.014552
"579741"	452.585426	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+2H"	2.014552
"1048904"	151.533326	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2H"	2.014552
"213525"	201.708676	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+3H"	3.021828
"649806"	302.059376	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+3H"	3.021828
"1167930"	101.357976	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+3H"	3.021828
"430109"	620.138023	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+NH4"	18.033823
"793291"	921.190123	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+NH4"	18.033823
"1691444"	319.085923	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+NH4"	18.033823
"338992"	310.5726495	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+H+NH4"	19.041099
"730322"	461.0986995	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+H+NH4"	19.041099
"1481954"	160.0465995	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H+NH4"	19.041099
"398446"	625.093418	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+Na"	22.989218
"759439"	926.145518	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+Na"	22.989218
"1605354"	324.041318	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Na"	22.989218
"315758"	313.050347	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+H+Na"	23.996494
"708543"	463.576397	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+H+Na"	23.996494
"1462117"	162.524297	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H+Na"	23.996494
"1053295"	108.68529	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2H+Na"	25.00377
"1259838"	334.085586	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+CH3OH+H"	33.033486
"377803"	641.067358	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+K"	38.963158
"739890"	942.119458	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+K"	38.963158
"1541459"	340.015258	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+K"	38.963158
"300456"	321.037317	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+H+K"	39.970434
"693243"	471.563367	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+H+K"	39.970434
"1446047"	170.511267	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H+K"	39.970434
"236635"	644.138026	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+ACN+H"	42.033826
"1210324"	343.085926	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+ACN+H"	42.033826
"1194448"	172.046601	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+ACN+2H"	43.041102
"188769"	647.07536	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+2Na-H"	44.97116
"629803"	948.12746	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+2Na-H"	44.97116
"1131607"	346.02326	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2Na-H"	44.97116
"179157"	324.041318	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+2Na"	45.978436
"613002"	474.567368	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+2Na"	45.978436
"1120403"	173.515268	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2Na"	45.978436
"1400645"	116.012604	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H+2Na"	46.985712
"1436773"	348.064846	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H+HCOOH"	47.012746
"223549"	329.07434	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+3H2O+2H"	56.04448
"1515629"	362.11689	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+IsoProp+H"	61.06479
"411668"	332.028288	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+Na+K"	61.952376
"770839"	482.554338	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+Na+K"	61.952376
"1668631"	181.502238	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Na+K"	61.952376
"255517"	666.119968	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+ACN+Na"	64.015768
"1226154"	365.067868	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+ACN+Na"	64.015768
"1713581"	365.091393	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+NH4+HCOOH"	64.039293
"1179055"	123.339918	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+3Na"	68.967654
"1657102"	370.046788	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Na+HCOOH"	68.994688
"163962"	679.02324	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+2K-H"	76.91904
"597808"	980.07534	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+2K-H"	76.91904
"1093506"	377.97114	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2K-H"	76.91904
"150324"	340.015258	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"2M+2K"	77.926316
"593165"	490.541308	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"3M+2K"	77.926316
"1079864"	189.489208	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2K"	77.926316
"1115022"	379.985692	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2K+H"	78.933592
"1349337"	380.073307	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+DMSO+H"	79.021207
"1018354"	384.112476	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2ACN+H"	83.060376
"1535020"	385.106108	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+IsoProp+Na+H"	84.054008
"997094"	192.559876	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+2ACN+2H"	84.067652
"1591598"	386.020728	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+K+HCOOH"	84.968628
"1429866"	416.052238	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+H+CF3COOH"	115.000138
"1153017"	213.073151	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+3ACN+2H"	125.094202
"1703663"	433.078785	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+NH4+CF3COOH"	132.026685
"1642597"	438.03418	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+Na+CF3COOH"	136.98208
"1582623"	454.00812	"C13719"	"Nocodazole"	"C14H11N3O3S"	"301.0521"	"M+K+CF3COOH"	152.95602
"815177"	144.0609	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M"	0
"986895"	125.04251	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-H2O-H"	-19.01839
"77207"	95.033324	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M-3H"	-3.021828
"517497"	143.053624	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M-3H"	-3.021828
"893228"	47.013024	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-3H"	-3.021828
"8524"	143.053624	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M-2H"	-2.014552
"452457"	215.084074	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M-2H"	-2.014552
"831718"	71.023174	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-2H"	-2.014552
"89157"	287.114524	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M-H"	-1.007276
"523251"	431.175424	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M-H"	-1.007276
"907613"	143.053624	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-H"	-1.007276
"56520"	304.141071	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M-2H+NH4"	16.019271
"498266"	448.201971	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M-2H+NH4"	16.019271
"876066"	160.080171	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-2H+NH4"	16.019271
"38500"	309.096466	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M-2H+Na"	20.974666
"477331"	453.157366	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M-2H+Na"	20.974666
"856956"	165.035566	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-2H+Na"	20.974666
"1627581"	165.035566	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Na-2H"	20.974666
"105204"	161.041963	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M-H+Cl"	33.962126
"543670"	233.072413	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M-H+Cl"	33.962126
"930987"	89.011513	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-H+Cl"	33.962126
"269911"	323.091202	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+Cl"	34.969402
"663426"	467.152102	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+Cl"	34.969402
"1280572"	179.030302	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Cl"	34.969402
"23127"	325.070406	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M-2H+K"	36.948606
"461596"	469.131306	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M-2H+K"	36.948606
"839397"	181.009506	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-2H+K"	36.948606
"1559604"	181.009506	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+K-2H"	36.948606
"950766"	189.059094	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-H+HCOOH"	44.998194
"371169"	333.120001	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+HCOOH-H"	44.998201
"353959"	347.135651	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+Hac-H"	59.013851
"1501699"	203.074751	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Hac-H"	59.013851
"963771"	211.041051	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-H+NaCOOH"	66.980151
"113044"	179.030302	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+2Cl"	69.938804
"550777"	251.060752	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+2Cl"	69.938804
"1022491"	106.999852	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2Cl"	69.938804
"1242435"	222.979785	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Br"	78.918885
"1305251"	225.035772	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Cl+HCOOH"	80.974872
"1322757"	247.017729	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Cl+NaCOOH"	102.956829
"914179"	257.046486	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M-H+CF3COOH"	112.985586
"1294900"	293.023164	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Cl+CF3COOH"	148.962264
"1370876"	109.048224	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H-2H2O"	-35.012676
"1387279"	127.0582	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H-H2O"	-17.0027
"288057"	289.129076	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+H"	1.007276
"676344"	433.189976	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+H"	1.007276
"1354643"	145.068176	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H"	1.007276
"127165"	145.068176	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+2H"	2.014552
"579851"	217.098626	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+2H"	2.014552
"1045736"	73.037726	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2H"	2.014552
"216189"	97.047876	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+3H"	3.021828
"654290"	145.068176	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+3H"	3.021828
"1171321"	49.027576	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+3H"	3.021828
"434594"	306.155623	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+NH4"	18.033823
"792308"	450.216523	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+NH4"	18.033823
"1690825"	162.094723	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+NH4"	18.033823
"339102"	153.5814495	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+H+NH4"	19.041099
"733712"	225.6118995	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+H+NH4"	19.041099
"1482428"	81.5509995	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H+NH4"	19.041099
"400742"	311.111018	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+Na"	22.989218
"760641"	455.171918	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+Na"	22.989218
"1605829"	167.050118	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Na"	22.989218
"315136"	156.059147	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+H+Na"	23.996494
"709018"	228.089597	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+H+Na"	23.996494
"1463561"	84.028697	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H+Na"	23.996494
"1055105"	56.35489	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2H+Na"	25.00377
"1259948"	177.094386	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+CH3OH+H"	33.033486
"378157"	327.084958	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+K"	38.963158
"740002"	471.145858	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+K"	38.963158
"1541328"	183.024058	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+K"	38.963158
"301661"	164.046117	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+H+K"	39.970434
"694447"	236.076567	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+H+K"	39.970434
"1446324"	92.015667	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H+K"	39.970434
"236504"	330.155626	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+ACN+H"	42.033826
"1210676"	186.094726	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+ACN+H"	42.033826
"1194550"	93.551001	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+ACN+2H"	43.041102
"189005"	333.09296	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+2Na-H"	44.97116
"629913"	477.15386	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+2Na-H"	44.97116
"1131716"	189.03206	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2Na-H"	44.97116
"178174"	167.050118	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+2Na"	45.978436
"614813"	239.080568	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+2Na"	45.978436
"1117956"	95.019668	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2Na"	45.978436
"1401850"	63.682204	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H+2Na"	46.985712
"1437976"	191.073646	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H+HCOOH"	47.012746
"223659"	172.08314	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+3H2O+2H"	56.04448
"1514646"	205.12569	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+IsoProp+H"	61.06479
"409226"	175.037088	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+Na+K"	61.952376
"770220"	247.067538	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+Na+K"	61.952376
"1666064"	103.006638	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Na+K"	61.952376
"251733"	352.137568	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+ACN+Na"	64.015768
"1226263"	208.076668	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+ACN+Na"	64.015768
"1712878"	208.100193	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+NH4+HCOOH"	64.039293
"1178760"	71.009518	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+3Na"	68.967654
"1653203"	213.055588	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Na+HCOOH"	68.994688
"161887"	365.04084	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+2K-H"	76.91904
"604728"	509.10174	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+2K-H"	76.91904
"1093619"	220.97994	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2K-H"	76.91904
"148248"	183.024058	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"2M+2K"	77.926316
"594369"	255.054508	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"3M+2K"	77.926316
"1076693"	110.993608	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2K"	77.926316
"1114645"	222.994492	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2K+H"	78.933592
"1348111"	223.082107	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+DMSO+H"	79.021207
"1015912"	227.121276	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2ACN+H"	83.060376
"1537319"	228.114908	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+IsoProp+Na+H"	84.054008
"995018"	114.064276	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+2ACN+2H"	84.067652
"1596084"	229.029528	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+K+HCOOH"	84.968628
"1426121"	259.061038	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+H+CF3COOH"	115.000138
"1161874"	134.577551	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+3ACN+2H"	125.094202
"1710336"	276.087585	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+NH4+CF3COOH"	132.026685
"1641614"	281.04298	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+Na+CF3COOH"	136.98208
"1582733"	297.01692	"C13720"	"alpha-EMTBL;alpha-Ethyl-alpha-methyl-thiobutyrolactone"	"C7H12OS"	"144.0609"	"M+K+CF3COOH"	152.95602
"814923"	291.1195	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M"	0
"983360"	272.10111	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-H2O-H"	-19.01839
"73426"	193.072390666667	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M-3H"	-3.021828
"514441"	290.112224	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M-3H"	-3.021828
"893338"	96.0325573333333	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-3H"	-3.021828
"13005"	290.112224	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M-2H"	-2.014552
"449287"	435.671974	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M-2H"	-2.014552
"828183"	144.552474	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-2H"	-2.014552
"89267"	581.231724	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M-H"	-1.007276
"521536"	872.351224	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M-H"	-1.007276
"903349"	290.112224	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-H"	-1.007276
"52257"	598.258271	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M-2H+NH4"	16.019271
"495096"	889.377771	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M-2H+NH4"	16.019271
"873989"	307.138771	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-2H+NH4"	16.019271
"36421"	603.213666	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M-2H+Na"	20.974666
"477075"	894.333166	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M-2H+Na"	20.974666
"851962"	312.094166	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-2H+Na"	20.974666
"1627691"	312.094166	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Na-2H"	20.974666
"98753"	308.100563	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M-H+Cl"	33.962126
"544873"	453.660313	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M-H+Cl"	33.962126
"929638"	162.540813	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-H+Cl"	33.962126
"270384"	617.208402	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+Cl"	34.969402
"663901"	908.327902	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+Cl"	34.969402
"1279589"	326.088902	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Cl"	34.969402
"21050"	619.187606	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M-2H+K"	36.948606
"461706"	910.307106	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M-2H+K"	36.948606
"839507"	328.068106	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-2H+K"	36.948606
"1559714"	328.068106	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+K-2H"	36.948606
"949783"	336.117694	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-H+HCOOH"	44.998194
"371279"	627.237201	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+HCOOH-H"	44.998201
"356256"	641.252851	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+Hac-H"	59.013851
"1506182"	350.133351	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Hac-H"	59.013851
"966068"	358.099651	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-H+NaCOOH"	66.980151
"113883"	326.088902	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+2Cl"	69.938804
"551254"	471.648652	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+2Cl"	69.938804
"1022966"	180.529152	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2Cl"	69.938804
"1242180"	370.038385	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Br"	78.918885
"1305362"	372.094372	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Cl+HCOOH"	80.974872
"1328334"	394.076329	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Cl+NaCOOH"	102.956829
"914289"	404.105086	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M-H+CF3COOH"	112.985586
"1295010"	440.081764	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Cl+CF3COOH"	148.962264
"1370986"	256.106824	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H-2H2O"	-35.012676
"1387389"	274.1168	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H-H2O"	-17.0027
"288167"	583.246276	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+H"	1.007276
"677306"	874.365776	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+H"	1.007276
"1354753"	292.126776	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H"	1.007276
"128003"	292.126776	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+2H"	2.014552
"577045"	437.686526	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+2H"	2.014552
"1044749"	146.567026	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2H"	2.014552
"214476"	195.086942666667	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+3H"	3.021828
"652212"	292.126776	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+3H"	3.021828
"1171432"	98.0471093333334	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+3H"	3.021828
"430329"	600.272823	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+NH4"	18.033823
"793511"	891.392323	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+NH4"	18.033823
"1693486"	309.153323	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+NH4"	18.033823
"341034"	300.6400495	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+H+NH4"	19.041099
"731634"	446.1997995	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+H+NH4"	19.041099
"1484360"	155.0802995	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H+NH4"	19.041099
"398665"	605.228218	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+Na"	22.989218
"761115"	896.347718	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+Na"	22.989218
"1609951"	314.108718	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Na"	22.989218
"317802"	303.117747	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+H+Na"	23.996494
"710220"	448.677497	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+H+Na"	23.996494
"1462947"	157.557997	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H+Na"	23.996494
"1054486"	105.374423333333	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2H+Na"	25.00377
"1257869"	324.152986	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+CH3OH+H"	33.033486
"377335"	621.202158	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+K"	38.963158
"739020"	912.321658	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+K"	38.963158
"1540708"	330.082658	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+K"	38.963158
"299343"	311.104717	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+H+K"	39.970434
"692005"	456.664467	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+H+K"	39.970434
"1445824"	165.544967	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H+K"	39.970434
"235884"	624.272826	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+ACN+H"	42.033826
"1211029"	333.153326	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+ACN+H"	42.033826
"1195030"	167.080301	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+ACN+2H"	43.041102
"189724"	627.21016	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+2Na-H"	44.97116
"631847"	918.32966	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+2Na-H"	44.97116
"1134986"	336.09066	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2Na-H"	44.97116
"179377"	314.108718	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+2Na"	45.978436
"616383"	459.668468	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+2Na"	45.978436
"1119527"	168.548968	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2Na"	45.978436
"1404147"	112.701737333333	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H+2Na"	46.985712
"1436991"	338.132246	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H+HCOOH"	47.012746
"225592"	319.14174	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+3H2O+2H"	56.04448
"1518035"	352.18429	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+IsoProp+H"	61.06479
"413348"	322.095688	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+Na+K"	61.952376
"771546"	467.655438	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+Na+K"	61.952376
"1667390"	176.535938	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Na+K"	61.952376
"251884"	646.254768	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+ACN+Na"	64.015768
"1226131"	355.135268	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+ACN+Na"	64.015768
"1713315"	355.158793	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+NH4+HCOOH"	64.039293
"1179070"	120.029051333333	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+3Na"	68.967654
"1651853"	360.114188	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Na+HCOOH"	68.994688
"161997"	659.15804	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+2K-H"	76.91904
"601558"	950.27754	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+2K-H"	76.91904
"1093729"	368.03854	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2K-H"	76.91904
"148358"	330.082658	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"2M+2K"	77.926316
"592292"	475.642408	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"3M+2K"	77.926316
"1073523"	184.522908	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2K"	77.926316
"1107827"	370.053092	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2K+H"	78.933592
"1344211"	370.140707	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+DMSO+H"	79.021207
"1013835"	374.179876	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2ACN+H"	83.060376
"1530869"	375.173508	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+IsoProp+Na+H"	84.054008
"995128"	187.593576	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+2ACN+2H"	84.067652
"1596194"	376.088128	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+K+HCOOH"	84.968628
"1424045"	406.119638	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+H+CF3COOH"	115.000138
"1159797"	208.106851	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+3ACN+2H"	125.094202
"1710446"	423.146185	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+NH4+CF3COOH"	132.026685
"1641724"	428.10158	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+Na+CF3COOH"	136.98208
"1582843"	444.07552	"C13721"	"Cyanotriphenylborate"	"C19H15BNNa"	"291.1195"	"M+K+CF3COOH"	152.95602
"817076"	711.0591	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M"	0
"987843"	692.04071	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-H2O-H"	-19.01839
"76816"	473.032124	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M-3H"	-3.021828
"516738"	710.051824	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M-3H"	-3.021828
"894178"	236.012424	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-3H"	-3.021828
"14210"	710.051824	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M-2H"	-2.014552
"452678"	1065.581374	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M-2H"	-2.014552
"829386"	354.522274	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-2H"	-2.014552
"86096"	1421.110924	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M-H"	-1.007276
"524564"	2132.170024	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M-H"	-1.007276
"904551"	710.051824	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-H"	-1.007276
"56739"	1438.137471	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M-2H+NH4"	16.019271
"497392"	2149.196571	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M-2H+NH4"	16.019271
"879165"	727.078371	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-2H+NH4"	16.019271
"34709"	1443.092866	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M-2H+Na"	20.974666
"478279"	2154.151966	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M-2H+Na"	20.974666
"852801"	732.033766	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-2H+Na"	20.974666
"1628894"	732.033766	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Na-2H"	20.974666
"98863"	728.040163	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M-H+Cl"	33.962126
"543890"	1083.569713	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M-H+Cl"	33.962126
"929385"	372.510613	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-H+Cl"	33.962126
"269155"	1457.087602	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+Cl"	34.969402
"662915"	2168.146702	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+Cl"	34.969402
"1280792"	746.028502	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Cl"	34.969402
"21160"	1459.066806	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M-2H+K"	36.948606
"465096"	2170.125906	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M-2H+K"	36.948606
"842896"	748.007706	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-2H+K"	36.948606
"1559824"	748.007706	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+K-2H"	36.948606
"947706"	756.057294	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-H+HCOOH"	44.998194
"369203"	1467.116401	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+HCOOH-H"	44.998201
"354180"	1481.132051	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+Hac-H"	59.013851
"1504105"	770.072951	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Hac-H"	59.013851
"965085"	778.039251	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-H+NaCOOH"	66.980151
"115087"	746.028502	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+2Cl"	69.938804
"551730"	1101.558052	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+2Cl"	69.938804
"1023446"	390.498952	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2Cl"	69.938804
"1241562"	789.977985	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Br"	78.918885
"1304241"	792.033972	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Cl+HCOOH"	80.974872
"1329537"	814.015929	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Cl+NaCOOH"	102.956829
"917316"	824.044686	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M-H+CF3COOH"	112.985586
"1296213"	860.021364	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Cl+CF3COOH"	148.962264
"1374376"	676.046424	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H-2H2O"	-35.012676
"1391872"	694.0564	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H-H2O"	-17.0027
"291557"	1423.125476	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+H"	1.007276
"678511"	2134.184576	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+H"	1.007276
"1352676"	712.066376	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H"	1.007276
"129206"	712.066376	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+2H"	2.014552
"570589"	1067.595926	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+2H"	2.014552
"1045953"	356.536826	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2H"	2.014552
"217868"	475.046676	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+3H"	3.021828
"658521"	712.066376	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+3H"	3.021828
"1173729"	238.026976	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+3H"	3.021828
"434813"	1440.152023	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+NH4"	18.033823
"794715"	2151.211123	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+NH4"	18.033823
"1691774"	729.092923	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+NH4"	18.033823
"340414"	720.5796495	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+H+NH4"	19.041099
"731744"	1076.1091995	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+H+NH4"	19.041099
"1482284"	365.0500995	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H+NH4"	19.041099
"397316"	1445.107418	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+Na"	22.989218
"759768"	2156.166518	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+Na"	22.989218
"1611154"	734.048318	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Na"	22.989218
"320100"	723.057347	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+H+Na"	23.996494
"712518"	1078.586897	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+H+Na"	23.996494
"1464150"	367.527797	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H+Na"	23.996494
"1053869"	245.35429	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2H+Na"	25.00377
"1261625"	744.092586	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+CH3OH+H"	33.033486
"377324"	1461.081358	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+K"	38.963158
"739618"	2172.140458	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+K"	38.963158
"1541062"	750.022258	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+K"	38.963158
"299332"	731.044317	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+H+K"	39.970434
"692479"	1086.573867	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+H+K"	39.970434
"1445892"	375.514767	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H+K"	39.970434
"236111"	1464.152026	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+ACN+H"	42.033826
"1210163"	753.092926	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+ACN+H"	42.033826
"1194367"	377.050101	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+ACN+2H"	43.041102
"188775"	1467.08936	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+2Na-H"	44.97116
"631957"	2178.14846	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+2Na-H"	44.97116
"1135096"	756.03026	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2Na-H"	44.97116
"176935"	734.048318	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+2Na"	45.978436
"615760"	1089.577868	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+2Na"	45.978436
"1120365"	378.518768	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2Na"	45.978436
"1404984"	252.681604	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H+2Na"	46.985712
"1438558"	758.071846	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H+HCOOH"	47.012746
"226066"	739.08134	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+3H2O+2H"	56.04448
"1519968"	772.12389	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+IsoProp+H"	61.06479
"415644"	742.035288	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+Na+K"	61.952376
"773720"	1097.564838	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+Na+K"	61.952376
"1667864"	386.505738	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Na+K"	61.952376
"253291"	1486.133968	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+ACN+Na"	64.015768
"1226730"	775.074868	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+ACN+Na"	64.015768
"1712941"	775.098393	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+NH4+HCOOH"	64.039293
"1179381"	260.008918	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+3Na"	68.967654
"1653057"	780.053788	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Na+HCOOH"	68.994688
"164293"	1499.03724	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+2K-H"	76.91904
"604947"	2210.09634	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+2K-H"	76.91904
"1093839"	787.97814	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2K-H"	76.91904
"148468"	750.022258	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"2M+2K"	77.926316
"592402"	1105.551808	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"3M+2K"	77.926316
"1075819"	394.492708	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2K"	77.926316
"1109030"	789.992692	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2K+H"	78.933592
"1344321"	790.080307	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+DMSO+H"	79.021207
"1012852"	794.119476	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2ACN+H"	83.060376
"1530979"	795.113108	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+IsoProp+Na+H"	84.054008
"995238"	397.563376	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+2ACN+2H"	84.067652
"1595211"	796.027728	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+K+HCOOH"	84.968628
"1427434"	826.059238	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+H+CF3COOH"	115.000138
"1159907"	418.076651	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+3ACN+2H"	125.094202
"1710557"	843.085785	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+NH4+CF3COOH"	132.026685
"1641834"	848.04118	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+Na+CF3COOH"	136.98208
"1582953"	864.01512	"C13722"	"Adenophostin B"	"C18H28N5O19P3"	"711.0591"	"M+K+CF3COOH"	152.95602
"810040"	566.1521	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M"	0
"984668"	547.13371	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-H2O-H"	-19.01839
"78250"	376.427457333333	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M-3H"	-3.021828
"518497"	565.144824	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M-3H"	-3.021828
"895256"	187.710090666667	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-3H"	-3.021828
"13222"	565.144824	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M-2H"	-2.014552
"447318"	848.220874	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M-2H"	-2.014552
"828400"	282.068774	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-2H"	-2.014552
"91672"	1131.296924	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M-H"	-1.007276
"530138"	1697.449024	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M-H"	-1.007276
"902475"	565.144824	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-H"	-1.007276
"56847"	1148.323471	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M-2H+NH4"	16.019271
"489844"	1714.475571	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M-2H+NH4"	16.019271
"868740"	582.171371	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-2H+NH4"	16.019271
"39921"	1153.278866	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M-2H+Na"	20.974666
"476563"	1719.430966	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M-2H+Na"	20.974666
"852909"	587.126766	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-2H+Na"	20.974666
"1620983"	587.126766	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Na-2H"	20.974666
"95329"	583.133163	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M-H+Cl"	33.962126
"535371"	866.209213	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M-H+Cl"	33.962126
"932052"	300.057113	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-H+Cl"	33.962126
"277172"	1167.273602	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+Cl"	34.969402
"667405"	1733.425702	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+Cl"	34.969402
"1277621"	601.121502	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Cl"	34.969402
"19084"	1169.252806	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M-2H+K"	36.948606
"458643"	1735.404906	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M-2H+K"	36.948606
"836444"	603.100706	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-2H+K"	36.948606
"1559932"	603.100706	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+K-2H"	36.948606
"947816"	611.150294	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-H+HCOOH"	44.998194
"367126"	1177.302401	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+HCOOH-H"	44.998201
"347732"	1191.318051	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+Hac-H"	59.013851
"1494377"	625.165951	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Hac-H"	59.013851
"960825"	633.132251	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-H+NaCOOH"	66.980151
"111188"	601.121502	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+2Cl"	69.938804
"550749"	884.197552	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+2Cl"	69.938804
"1026843"	318.045452	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2Cl"	69.938804
"1256271"	645.070985	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Br"	78.918885
"1314343"	647.126972	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Cl+HCOOH"	80.974872
"1328559"	669.108929	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Cl+NaCOOH"	102.956829
"915242"	679.137686	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M-H+CF3COOH"	112.985586
"1296323"	715.114364	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Cl+CF3COOH"	148.962264
"1374486"	531.139424	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H-2H2O"	-35.012676
"1385422"	549.1494	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H-H2O"	-17.0027
"289484"	1133.311476	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+H"	1.007276
"676800"	1699.463576	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+H"	1.007276
"1361535"	567.159376	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H"	1.007276
"136618"	567.159376	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+2H"	2.014552
"569977"	850.235426	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+2H"	2.014552
"1042788"	284.083326	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2H"	2.014552
"215791"	378.442009333333	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+3H"	3.021828
"656444"	567.159376	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+3H"	3.021828
"1171650"	189.724642666667	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+3H"	3.021828
"430551"	1150.338023	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+NH4"	18.033823
"794825"	1716.490123	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+NH4"	18.033823
"1685326"	584.185923	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+NH4"	18.033823
"332510"	575.6726495	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+H+NH4"	19.041099
"730766"	858.7486995	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+H+NH4"	19.041099
"1483492"	292.5965995	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H+NH4"	19.041099
"397798"	1155.293418	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+Na"	22.989218
"757702"	1721.445518	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+Na"	22.989218
"1604709"	589.141318	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Na"	22.989218
"314418"	578.150347	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+H+Na"	23.996494
"709353"	861.226397	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+H+Na"	23.996494
"1461833"	295.074297	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H+Na"	23.996494
"1055323"	197.051956666667	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2H+Na"	25.00377
"1258458"	599.185586	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+CH3OH+H"	33.033486
"378976"	1171.267358	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+K"	38.963158
"739364"	1737.419458	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+K"	38.963158
"1539897"	605.115258	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+K"	38.963158
"298549"	586.137317	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+H+K"	39.970434
"691579"	869.213367	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+H+K"	39.970434
"1446782"	303.061267	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H+K"	39.970434
"236476"	1174.338026	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+ACN+H"	42.033826
"1210645"	608.185926	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+ACN+H"	42.033826
"1200369"	304.596601	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+ACN+2H"	43.041102
"194333"	1177.27536	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+2Na-H"	44.97116
"633896"	1743.42746	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+2Na-H"	44.97116
"1134487"	611.12326	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2Na-H"	44.97116
"176682"	589.141318	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+2Na"	45.978436
"616969"	872.217368	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+2Na"	45.978436
"1120841"	306.065268	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2Na"	45.978436
"1407281"	204.379270666667	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H+2Na"	46.985712
"1440498"	613.164846	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H+HCOOH"	47.012746
"226913"	594.17434	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+3H2O+2H"	56.04448
"1517163"	627.21689	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+IsoProp+H"	61.06479
"412107"	597.128288	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+Na+K"	61.952376
"772738"	880.204338	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+Na+K"	61.952376
"1667975"	314.052238	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Na+K"	61.952376
"253770"	1196.319968	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+ACN+Na"	64.015768
"1229762"	630.167868	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+ACN+Na"	64.015768
"1720107"	630.191393	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+NH4+HCOOH"	64.039293
"1184368"	211.706584666667	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+3Na"	68.967654
"1656448"	635.146788	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Na+HCOOH"	68.994688
"168779"	1209.22324	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+2K-H"	76.91904
"607250"	1775.37534	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+2K-H"	76.91904
"1097230"	643.07114	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2K-H"	76.91904
"149670"	605.115258	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"2M+2K"	77.926316
"593607"	888.191308	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"3M+2K"	77.926316
"1080307"	322.039208	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2K"	77.926316
"1114609"	645.085692	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2K+H"	78.933592
"1347716"	645.173307	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+DMSO+H"	79.021207
"1018068"	649.212476	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2ACN+H"	83.060376
"1539239"	650.206108	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+IsoProp+Na+H"	84.054008
"1005447"	325.109876	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+2ACN+2H"	84.067652
"1602376"	651.120728	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+K+HCOOH"	84.968628
"1420983"	681.152238	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+H+CF3COOH"	115.000138
"1152368"	345.623151	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+3ACN+2H"	125.094202
"1703013"	698.178785	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+NH4+CF3COOH"	132.026685
"1638663"	703.13418	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+Na+CF3COOH"	136.98208
"1583065"	719.10812	"C13725"	"Patent blue;Blue VRS"	"C27H31N2O6S2Na"	"566.1521"	"M+K+CF3COOH"	152.95602
"804683"	669.0486	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M"	0
"985873"	650.03021	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-H2O-H"	-19.01839
"74119"	445.025124	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M-3H"	-3.021828
"513676"	668.041324	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M-3H"	-3.021828
"893665"	222.008924	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-3H"	-3.021828
"7865"	668.041324	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M-2H"	-2.014552
"452894"	1002.565624	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M-2H"	-2.014552
"825229"	333.517024	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-2H"	-2.014552
"91418"	1337.089924	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M-H"	-1.007276
"529154"	2006.138524	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M-H"	-1.007276
"905862"	668.041324	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-H"	-1.007276
"48935"	1354.116471	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M-2H+NH4"	16.019271
"488615"	2023.165071	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M-2H+NH4"	16.019271
"865688"	685.067871	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-2H+NH4"	16.019271
"36385"	1359.071866	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M-2H+Na"	20.974666
"475948"	2028.120466	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M-2H+Na"	20.974666
"849374"	690.023266	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-2H+Na"	20.974666
"1621099"	690.023266	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Na-2H"	20.974666
"95804"	686.029663	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M-H+Cl"	33.962126
"534874"	1020.553963	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M-H+Cl"	33.962126
"933258"	351.505363	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-H+Cl"	33.962126
"270721"	1373.066602	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+Cl"	34.969402
"664234"	2042.115202	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+Cl"	34.969402
"1276636"	704.018002	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Cl"	34.969402
"19193"	1375.045806	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M-2H+K"	36.948606
"458753"	2044.094406	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M-2H+K"	36.948606
"833433"	705.997206	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-2H+K"	36.948606
"1558948"	705.997206	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+K-2H"	36.948606
"943554"	714.046794	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-H+HCOOH"	44.998194
"362864"	1383.095401	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+HCOOH-H"	44.998201
"346379"	1397.111051	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+Hac-H"	59.013851
"1493636"	728.062451	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Hac-H"	59.013851
"959842"	736.028751	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-H+NaCOOH"	66.980151
"115311"	704.018002	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+2Cl"	69.938804
"559250"	1038.542302	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+2Cl"	69.938804
"1031333"	369.493702	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2Cl"	69.938804
"1253097"	747.967485	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Br"	78.918885
"1313360"	750.023472	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Cl+HCOOH"	80.974872
"1325386"	772.005429	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Cl+NaCOOH"	102.956829
"916445"	782.034186	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M-H+CF3COOH"	112.985586
"1290966"	818.010864	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Cl+CF3COOH"	148.962264
"1368036"	634.035924	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H-2H2O"	-35.012676
"1393188"	652.0459	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H-H2O"	-17.0027
"290688"	1339.104476	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+H"	1.007276
"688217"	2008.153076	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+H"	1.007276
"1361645"	670.055876	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H"	1.007276
"136360"	670.055876	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+2H"	2.014552
"577012"	1004.580176	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+2H"	2.014552
"1048360"	335.531576	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2H"	2.014552
"209702"	447.039676	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+3H"	3.021828
"655462"	670.055876	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+3H"	3.021828
"1170667"	224.023476	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+3H"	3.021828
"430659"	1356.131023	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+NH4"	18.033823
"796029"	2025.179623	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+NH4"	18.033823
"1691266"	687.082423	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+NH4"	18.033823
"336264"	678.5691495	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+H+NH4"	19.041099
"728684"	1013.0934495	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+H+NH4"	19.041099
"1484697"	344.0448495	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H+NH4"	19.041099
"394630"	1361.086418	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+Na"	22.989218
"755626"	2030.135018	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+Na"	22.989218
"1603725"	692.037818	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Na"	22.989218
"314733"	681.046847	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+H+Na"	23.996494
"708369"	1015.571147	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+H+Na"	23.996494
"1462913"	346.522547	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H+Na"	23.996494
"1054338"	231.35079	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2H+Na"	25.00377
"1258205"	702.082086	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+CH3OH+H"	33.033486
"377304"	1377.060358	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+K"	38.963158
"738987"	2046.108958	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+K"	38.963158
"1539926"	708.011758	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+K"	38.963158
"298825"	689.033817	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+H+K"	39.970434
"693806"	1023.558117	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+H+K"	39.970434
"1454187"	354.509517	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H+K"	39.970434
"240602"	1380.131026	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+ACN+H"	42.033826
"1214410"	711.082426	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+ACN+H"	42.033826
"1196105"	356.044851	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+ACN+2H"	43.041102
"192625"	1383.06836	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+2Na-H"	44.97116
"631456"	2052.11696	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+2Na-H"	44.97116
"1134962"	714.01976	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2Na-H"	44.97116
"175815"	692.037818	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+2Na"	45.978436
"616347"	1026.562118	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+2Na"	45.978436
"1119486"	357.513518	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2Na"	45.978436
"1401201"	238.678104	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H+2Na"	46.985712
"1433677"	716.061346	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H+HCOOH"	47.012746
"221550"	697.07084	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+3H2O+2H"	56.04448
"1511803"	730.11339	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+IsoProp+H"	61.06479
"412587"	700.024788	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+Na+K"	61.952376
"772848"	1034.549088	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+Na+K"	61.952376
"1669184"	365.500488	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Na+K"	61.952376
"253516"	1402.112968	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+ACN+Na"	64.015768
"1226708"	733.064368	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+ACN+Na"	64.015768
"1721313"	733.087893	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+NH4+HCOOH"	64.039293
"1184478"	246.005418	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+3Na"	68.967654
"1654738"	738.043288	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Na+HCOOH"	68.994688
"161235"	1415.01624	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+2K-H"	76.91904
"608454"	2084.06484	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+2K-H"	76.91904
"1096246"	745.96764	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2K-H"	76.91904
"154886"	708.011758	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"2M+2K"	77.926316
"593717"	1042.536058	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"3M+2K"	77.926316
"1081510"	373.487458	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2K"	77.926316
"1114720"	747.982192	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2K+H"	78.933592
"1350378"	748.069807	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+DMSO+H"	79.021207
"1020365"	752.108976	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2ACN+H"	83.060376
"1536667"	753.102608	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+IsoProp+Na+H"	84.054008
"1003482"	376.558126	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+2ACN+2H"	84.067652
"1598713"	754.017228	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+K+HCOOH"	84.968628
"1422190"	784.048738	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+H+CF3COOH"	115.000138
"1153571"	397.071401	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+3ACN+2H"	125.094202
"1699840"	801.075285	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+NH4+CF3COOH"	132.026685
"1636590"	806.03068	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+Na+CF3COOH"	136.98208
"1583176"	822.00462	"C13727"	"Adenophostin A"	"C16H26N5O18P3"	"669.0486"	"M+K+CF3COOH"	152.95602
"806980"	94.0531	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M"	0
"984890"	75.03471	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-H2O-H"	-19.01839
"73135"	61.6947906666667	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M-3H"	-3.021828
"515973"	93.045824	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M-3H"	-3.021828
"893775"	30.3437573333333	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-3H"	-3.021828
"10162"	93.045824	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M-2H"	-2.014552
"453004"	140.072374	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M-2H"	-2.014552
"825339"	46.019274	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-2H"	-2.014552
"92259"	187.098924	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M-H"	-1.007276
"532302"	281.152024	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M-H"	-1.007276
"908888"	93.045824	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-H"	-1.007276
"52692"	204.125471	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M-2H+NH4"	16.019271
"491520"	298.178571	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M-2H+NH4"	16.019271
"868957"	110.072371	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-2H+NH4"	16.019271
"38317"	209.080866	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M-2H+Na"	20.974666
"480797"	303.133966	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M-2H+Na"	20.974666
"855318"	115.027766	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-2H+Na"	20.974666
"1623396"	115.027766	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Na-2H"	20.974666
"97009"	111.034163	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M-H+Cl"	33.962126
"535472"	158.060713	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M-H+Cl"	33.962126
"933368"	64.007613	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-H+Cl"	33.962126
"274111"	223.075602	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+Cl"	34.969402
"668717"	317.128702	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+Cl"	34.969402
"1284400"	129.022502	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Cl"	34.969402
"24770"	225.054806	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M-2H+K"	36.948606
"463237"	319.107906	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M-2H+K"	36.948606
"843225"	131.001706	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-2H+K"	36.948606
"1565618"	131.001706	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+K-2H"	36.948606
"950224"	139.051294	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-H+HCOOH"	44.998194
"368441"	233.104401	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+HCOOH-H"	44.998201
"352325"	247.120051	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+Hac-H"	59.013851
"1498971"	153.066951	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Hac-H"	59.013851
"964325"	161.033251	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-H+NaCOOH"	66.980151
"115423"	129.022502	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+2Cl"	69.938804
"559360"	176.049052	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+2Cl"	69.938804
"1032536"	81.995952	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2Cl"	69.938804
"1252114"	172.971985	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Br"	78.918885
"1316750"	175.027972	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Cl+HCOOH"	80.974872
"1328776"	197.009929	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Cl+NaCOOH"	102.956829
"917648"	207.038686	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M-H+CF3COOH"	112.985586
"1296543"	243.015364	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Cl+CF3COOH"	148.962264
"1370333"	59.040424	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H-2H2O"	-35.012676
"1393298"	77.0504	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H-H2O"	-17.0027
"292985"	189.113476	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+H"	1.007276
"688693"	283.166576	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+H"	1.007276
"1362849"	95.060376	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H"	1.007276
"137200"	95.060376	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+2H"	2.014552
"577486"	142.086926	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+2H"	2.014552
"1046284"	48.033826	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2H"	2.014552
"214186"	63.7093426666667	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+3H"	3.021828
"658855"	95.060376	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+3H"	3.021828
"1177098"	32.3583093333333	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+3H"	3.021828
"436236"	206.140023	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+NH4"	18.033823
"799420"	300.193123	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+NH4"	18.033823
"1693563"	112.086923	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+NH4"	18.033823
"342935"	103.5736495	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+H+NH4"	19.041099
"730983"	150.6001995	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+H+NH4"	19.041099
"1488817"	56.5470995	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H+NH4"	19.041099
"398021"	211.095418	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+Na"	22.989218
"759018"	305.148518	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+Na"	22.989218
"1608210"	117.042318	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Na"	22.989218
"314842"	106.051347	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+H+Na"	23.996494
"709573"	153.077897	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+H+Na"	23.996494
"1467766"	59.024797	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H+Na"	23.996494
"1058821"	39.6856233333333	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2H+Na"	25.00377
"1260134"	127.086586	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+CH3OH+H"	33.033486
"379440"	227.069358	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+K"	38.963158
"740798"	321.122458	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+K"	38.963158
"1541028"	133.016258	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+K"	38.963158
"298636"	114.038317	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+H+K"	39.970434
"696103"	161.064867	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+H+K"	39.970434
"1453205"	67.011767	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H+K"	39.970434
"236337"	230.140026	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+ACN+H"	42.033826
"1216707"	136.086926	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+ACN+H"	42.033826
"1196578"	68.547101	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+ACN+2H"	43.041102
"194923"	233.07736	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+2Na-H"	44.97116
"635212"	327.13046	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+2Na-H"	44.97116
"1137624"	139.02426	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2Na-H"	44.97116
"178725"	117.042318	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+2Na"	45.978436
"615369"	164.068868	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+2Na"	45.978436
"1118146"	70.015768	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2Na"	45.978436
"1407507"	47.0129373333333	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H+2Na"	46.985712
"1432331"	141.065846	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H+HCOOH"	47.012746
"222387"	122.07534	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+3H2O+2H"	56.04448
"1514101"	155.11789	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+IsoProp+H"	61.06479
"410509"	125.029288	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+Na+K"	61.952376
"772958"	172.055838	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+Na+K"	61.952376
"1667466"	78.002738	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Na+K"	61.952376
"253626"	252.121968	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+ACN+Na"	64.015768
"1228157"	158.068868	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+ACN+Na"	64.015768
"1722516"	158.092393	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+NH4+HCOOH"	64.039293
"1183495"	54.3402513333333	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+3Na"	68.967654
"1653389"	163.047788	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Na+HCOOH"	68.994688
"165719"	265.02524	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+2K-H"	76.91904
"604189"	359.07834	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+2K-H"	76.91904
"1091979"	170.97214	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2K-H"	76.91904
"148795"	133.016258	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"2M+2K"	77.926316
"591639"	180.042808	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"3M+2K"	77.926316
"1077243"	85.989708	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2K"	77.926316
"1111546"	172.986692	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2K+H"	78.933592
"1347934"	173.074307	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+DMSO+H"	79.021207
"1017557"	177.113476	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2ACN+H"	83.060376
"1534588"	178.107108	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+IsoProp+Na+H"	84.054008
"1002134"	89.060376	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+2ACN+2H"	84.067652
"1599916"	179.021728	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+K+HCOOH"	84.968628
"1419019"	209.053238	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+H+CF3COOH"	115.000138
"1154775"	109.573651	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+3ACN+2H"	125.094202
"1698857"	226.079785	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+NH4+CF3COOH"	132.026685
"1636700"	231.03518	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+Na+CF3COOH"	136.98208
"1583286"	247.00912	"C13728"	"4-Aminopyridine;4-AP"	"C5H6N2"	"94.0531"	"M+K+CF3COOH"	152.95602
"803810"	263.1746	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M"	0
"988280"	244.15621	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-H2O-H"	-19.01839
"77619"	174.442457333333	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M-3H"	-3.021828
"516815"	262.167324	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M-3H"	-3.021828
"894619"	86.7175906666667	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-3H"	-3.021828
"10272"	262.167324	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M-2H"	-2.014552
"452022"	393.754624	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M-2H"	-2.014552
"831531"	130.580024	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-2H"	-2.014552
"92004"	525.341924	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M-H"	-1.007276
"532782"	788.516524	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M-H"	-1.007276
"907909"	262.167324	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-H"	-1.007276
"54989"	542.368471	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M-2H+NH4"	16.019271
"492361"	805.543071	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M-2H+NH4"	16.019271
"869067"	279.193871	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-2H+NH4"	16.019271
"36605"	547.323866	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M-2H+Na"	20.974666
"480907"	810.498466	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M-2H+Na"	20.974666
"854335"	284.149266	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-2H+Na"	20.974666
"1620955"	284.149266	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Na-2H"	20.974666
"100399"	280.155663	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M-H+Cl"	33.962126
"539960"	411.742963	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M-H+Cl"	33.962126
"933477"	148.568363	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-H+Cl"	33.962126
"270940"	561.318602	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+Cl"	34.969402
"667733"	824.493202	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+Cl"	34.969402
"1281231"	298.144002	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Cl"	34.969402
"24881"	563.297806	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M-2H+K"	36.948606
"466630"	826.472406	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M-2H+K"	36.948606
"843340"	300.123206	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-2H+K"	36.948606
"1567921"	300.123206	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+K-2H"	36.948606
"952521"	308.172794	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-H+HCOOH"	44.998194
"367458"	571.347401	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+HCOOH-H"	44.998201
"352434"	585.363051	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+Hac-H"	59.013851
"1500173"	322.188451	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Hac-H"	59.013851
"961153"	330.154751	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-H+NaCOOH"	66.980151
"113346"	298.144002	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+2Cl"	69.938804
"557283"	429.731302	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+2Cl"	69.938804
"1032647"	166.556702	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2Cl"	69.938804
"1255141"	342.093485	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Br"	78.918885
"1317955"	344.149472	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Cl+HCOOH"	80.974872
"1332166"	366.131429	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Cl+NaCOOH"	102.956829
"921039"	376.160186	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M-H+CF3COOH"	112.985586
"1294467"	412.136864	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Cl+CF3COOH"	148.962264
"1370444"	228.161924	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H-2H2O"	-35.012676
"1389035"	246.1719	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H-H2O"	-17.0027
"284347"	527.356476	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+H"	1.007276
"690867"	790.531076	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+H"	1.007276
"1362959"	264.181876	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H"	1.007276
"136945"	264.181876	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+2H"	2.014552
"577596"	395.769176	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+2H"	2.014552
"1051499"	132.594576	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2H"	2.014552
"216120"	176.457009333333	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+3H"	3.021828
"658965"	264.181876	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+3H"	3.021828
"1177455"	88.7321426666667	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+3H"	3.021828
"436348"	544.383023	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+NH4"	18.033823
"795156"	807.557623	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+NH4"	18.033823
"1689302"	281.208423	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+NH4"	18.033823
"340862"	272.6951495	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+H+NH4"	19.041099
"731096"	404.2824495	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+H+NH4"	19.041099
"1486012"	141.1078495	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H+NH4"	19.041099
"397040"	549.338418	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+Na"	22.989218
"759130"	812.513018	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+Na"	22.989218
"1606134"	286.163818	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Na"	22.989218
"314950"	275.172847	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+H+Na"	23.996494
"707860"	406.760147	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+H+Na"	23.996494
"1462410"	143.585547	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H+Na"	23.996494
"1058931"	96.0594566666667	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2H+Na"	25.00377
"1260611"	296.208086	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+CH3OH+H"	33.033486
"379557"	565.312358	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+K"	38.963158
"739814"	828.486958	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+K"	38.963158
"1545522"	302.137758	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+K"	38.963158
"299779"	283.159817	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+H+K"	39.970434
"698404"	414.747117	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+H+K"	39.970434
"1451130"	151.572517	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H+K"	39.970434
"239365"	568.383026	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+ACN+H"	42.033826
"1216817"	305.208426	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+ACN+H"	42.033826
"1206171"	153.107851	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+ACN+2H"	43.041102
"194671"	571.32036	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+2Na-H"	44.97116
"641887"	834.49496	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+2Na-H"	44.97116
"1143204"	308.14576	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2Na-H"	44.97116
"185401"	286.163818	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+2Na"	45.978436
"623867"	417.751118	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+2Na"	45.978436
"1119717"	154.576518	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2Na"	45.978436
"1408713"	103.386770666667	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H+2Na"	46.985712
"1439737"	310.187346	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H+HCOOH"	47.012746
"228336"	291.19684	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+3H2O+2H"	56.04448
"1513119"	324.23939	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+IsoProp+H"	61.06479
"416087"	294.150788	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+Na+K"	61.952376
"777081"	425.738088	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+Na+K"	61.952376
"1674511"	162.563488	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Na+K"	61.952376
"258844"	590.364968	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+ACN+Na"	64.015768
"1240061"	327.190368	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+ACN+Na"	64.015768
"1726639"	327.213893	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+NH4+HCOOH"	64.039293
"1192721"	110.714084666667	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+3Na"	68.967654
"1660061"	332.169288	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Na+HCOOH"	68.994688
"168017"	603.26824	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+2K-H"	76.91904
"606485"	866.44284	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+2K-H"	76.91904
"1090995"	340.09364	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2K-H"	76.91904
"143437"	302.137758	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"2M+2K"	77.926316
"592840"	433.725058	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"3M+2K"	77.926316
"1079538"	170.550458	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2K"	77.926316
"1110563"	342.108192	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2K+H"	78.933592
"1345856"	342.195807	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+DMSO+H"	79.021207
"1018759"	346.234976	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2ACN+H"	83.060376
"1534699"	347.228608	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+IsoProp+Na+H"	84.054008
"995679"	173.621126	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+2ACN+2H"	84.067652
"1596746"	348.143228	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+K+HCOOH"	84.968628
"1418036"	378.174738	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+H+CF3COOH"	115.000138
"1152698"	194.134401	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+3ACN+2H"	125.094202
"1698967"	395.201285	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+NH4+CF3COOH"	132.026685
"1635716"	400.15668	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+Na+CF3COOH"	136.98208
"1583396"	416.13062	"C13729"	"Pinacidil"	"C13H19N5H2O"	"263.1746"	"M+K+CF3COOH"	152.95602
"803920"	317.1627	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M"	0
"988026"	298.14431	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-H2O-H"	-19.01839
"78298"	210.434524	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M-3H"	-3.021828
"517290"	316.155424	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M-3H"	-3.021828
"895175"	104.713624	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-3H"	-3.021828
"10382"	316.155424	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M-2H"	-2.014552
"451036"	474.736774	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M-2H"	-2.014552
"832530"	157.574074	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-2H"	-2.014552
"92965"	633.318124	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M-H"	-1.007276
"533904"	950.480824	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M-H"	-1.007276
"909962"	316.155424	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-H"	-1.007276
"58379"	650.344671	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M-2H+NH4"	16.019271
"492471"	967.507371	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M-2H+NH4"	16.019271
"868812"	333.181971	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-2H+NH4"	16.019271
"36350"	655.300066	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M-2H+Na"	20.974666
"483203"	972.462766	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M-2H+Na"	20.974666
"855538"	338.137366	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-2H+Na"	20.974666
"1620700"	338.137366	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Na-2H"	20.974666
"100509"	334.143763	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M-H+Cl"	33.962126
"537883"	492.725113	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M-H+Cl"	33.962126
"933587"	175.562413	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-H+Cl"	33.962126
"272143"	669.294802	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+Cl"	34.969402
"671123"	986.457502	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+Cl"	34.969402
"1287537"	352.132102	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Cl"	34.969402
"27178"	671.274006	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M-2H+K"	36.948606
"470019"	988.436706	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M-2H+K"	36.948606
"845635"	354.111306	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-2H+K"	36.948606
"1566937"	354.111306	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+K-2H"	36.948606
"953360"	362.160894	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-H+HCOOH"	44.998194
"370848"	679.323601	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+HCOOH-H"	44.998201
"356554"	693.339251	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+Hac-H"	59.013851
"1503199"	376.176551	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Hac-H"	59.013851
"966730"	384.142851	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-H+NaCOOH"	66.980151
"115643"	352.132102	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+2Cl"	69.938804
"557393"	510.713452	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+2Cl"	69.938804
"1035673"	193.550752	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2Cl"	69.938804
"1256592"	396.081585	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Br"	78.918885
"1319528"	398.137572	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Cl+HCOOH"	80.974872
"1332276"	420.119529	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Cl+NaCOOH"	102.956829
"926621"	430.148286	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M-H+CF3COOH"	112.985586
"1302231"	466.124964	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Cl+CF3COOH"	148.962264
"1379301"	282.150024	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H-2H2O"	-35.012676
"1396434"	300.16	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H-H2O"	-17.0027
"287736"	635.332676	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+H"	1.007276
"689640"	952.495376	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+H"	1.007276
"1364162"	318.169976	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H"	1.007276
"138148"	318.169976	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+2H"	2.014552
"578799"	476.751326	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+2H"	2.014552
"1049421"	159.588626	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2H"	2.014552
"218782"	212.449076	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+3H"	3.021828
"658346"	318.169976	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+3H"	3.021828
"1177200"	106.728176	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+3H"	3.021828
"436458"	652.359223	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+NH4"	18.033823
"797453"	969.521923	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+NH4"	18.033823
"1692692"	335.196523	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+NH4"	18.033823
"344253"	326.6832495	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+H+NH4"	19.041099
"734487"	485.2645995	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+H+NH4"	19.041099
"1488309"	168.1018995	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H+NH4"	19.041099
"399336"	657.314618	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+Na"	22.989218
"761427"	974.477318	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+Na"	22.989218
"1608431"	340.151918	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Na"	22.989218
"317371"	329.160947	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+H+Na"	23.996494
"708090"	487.742297	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+H+Na"	23.996494
"1462275"	170.579597	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H+Na"	23.996494
"1057951"	114.05549	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2H+Na"	25.00377
"1260723"	350.196186	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+CH3OH+H"	33.033486
"381490"	673.288558	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+K"	38.963158
"739684"	990.451258	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+K"	38.963158
"1546725"	356.125858	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+K"	38.963158
"299889"	337.147917	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+H+K"	39.970434
"697417"	495.729267	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+H+K"	39.970434
"1453427"	178.566567	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H+K"	39.970434
"239112"	676.359226	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+ACN+H"	42.033826
"1215832"	359.196526	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+ACN+H"	42.033826
"1196070"	180.101901	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+ACN+2H"	43.041102
"196966"	679.29656	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+2Na-H"	44.97116
"638713"	996.45926	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+2Na-H"	44.97116
"1144407"	362.13386	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2Na-H"	44.97116
"186604"	340.151918	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+2Na"	45.978436
"623977"	498.733268	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+2Na"	45.978436
"1124200"	181.570568	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2Na"	45.978436
"1406635"	121.382804	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H+2Na"	46.985712
"1440940"	364.175446	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H+HCOOH"	47.012746
"229542"	345.18494	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+3H2O+2H"	56.04448
"1513229"	378.22749	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+IsoProp+H"	61.06479
"417290"	348.138888	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+Na+K"	61.952376
"774275"	506.720238	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+Na+K"	61.952376
"1671339"	189.557538	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Na+K"	61.952376
"257860"	698.341168	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+ACN+Na"	64.015768
"1240539"	381.178468	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+ACN+Na"	64.015768
"1728009"	381.201993	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+NH4+HCOOH"	64.039293
"1193928"	128.710118	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+3Na"	68.967654
"1661264"	386.157388	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Na+HCOOH"	68.994688
"171285"	711.24444	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+2K-H"	76.91904
"609874"	1028.40714	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+2K-H"	76.91904
"1091105"	394.08174	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2K-H"	76.91904
"144640"	356.125858	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"2M+2K"	77.926316
"594043"	514.707208	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"3M+2K"	77.926316
"1078555"	197.544508	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2K"	77.926316
"1113587"	396.096292	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2K+H"	78.933592
"1350096"	396.183907	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+DMSO+H"	79.021207
"1016680"	400.223076	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2ACN+H"	83.060376
"1534809"	401.216708	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+IsoProp+Na+H"	84.054008
"997975"	200.615176	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+2ACN+2H"	84.067652
"1594668"	402.131328	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+K+HCOOH"	84.968628
"1421426"	432.162838	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+H+CF3COOH"	115.000138
"1154995"	221.128451	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+3ACN+2H"	125.094202
"1697984"	449.189385	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+NH4+CF3COOH"	132.026685
"1636920"	454.14478	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+Na+CF3COOH"	136.98208
"1583506"	470.11872	"C13730"	"LY382884"	"C18H23NO4"	"317.1627"	"M+K+CF3COOH"	152.95602
"804030"	261.075	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M"	0
"989229"	242.05661	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-H2O-H"	-19.01839
"77110"	173.042724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M-3H"	-3.021828
"518009"	260.067724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M-3H"	-3.021828
"893015"	86.017724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-3H"	-3.021828
"10492"	260.067724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M-2H"	-2.014552
"451146"	390.605224	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M-2H"	-2.014552
"831751"	129.530224	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-2H"	-2.014552
"93765"	521.142724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M-H"	-1.007276
"534017"	782.217724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M-H"	-1.007276
"909951"	260.067724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-H"	-1.007276
"58489"	538.169271	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M-2H+NH4"	16.019271
"492581"	799.244271	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M-2H+NH4"	16.019271
"868923"	277.094271	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-2H+NH4"	16.019271
"38284"	543.124666	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M-2H+Na"	20.974666
"481127"	804.199666	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M-2H+Na"	20.974666
"857835"	282.049666	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-2H+Na"	20.974666
"1627371"	282.049666	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Na-2H"	20.974666
"103899"	278.056063	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M-H+Cl"	33.962126
"542367"	408.593563	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M-H+Cl"	33.962126
"940257"	147.518563	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-H+Cl"	33.962126
"281000"	557.119402	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+Cl"	34.969402
"671233"	818.194402	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+Cl"	34.969402
"1283638"	296.044402	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Cl"	34.969402
"30447"	559.098606	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M-2H+K"	36.948606
"469037"	820.173606	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M-2H+K"	36.948606
"846841"	298.023606	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-2H+K"	36.948606
"1570778"	298.023606	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+K-2H"	36.948606
"955658"	306.073194	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-H+HCOOH"	44.998194
"374239"	567.148201	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+HCOOH-H"	44.998201
"359216"	581.163851	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+Hac-H"	59.013851
"1507684"	320.088851	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Hac-H"	59.013851
"969028"	328.055151	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-H+NaCOOH"	66.980151
"114660"	296.044402	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+2Cl"	69.938804
"560783"	426.581902	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+2Cl"	69.938804
"1035423"	165.506902	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2Cl"	69.938804
"1256095"	339.993885	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Br"	78.918885
"1318903"	342.049872	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Cl+HCOOH"	80.974872
"1329106"	364.031829	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Cl+NaCOOH"	102.956829
"923813"	374.060586	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M-H+CF3COOH"	112.985586
"1297969"	410.037264	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Cl+CF3COOH"	148.962264
"1381479"	226.062324	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H-2H2O"	-35.012676
"1394719"	244.0723	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H-H2O"	-17.0027
"290033"	523.157276	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+H"	1.007276
"686831"	784.232276	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+H"	1.007276
"1357711"	262.082276	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H"	1.007276
"134975"	262.082276	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+2H"	2.014552
"577452"	392.619776	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+2H"	2.014552
"1046615"	131.544776	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2H"	2.014552
"217433"	175.057276	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+3H"	3.021828
"659347"	262.082276	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+3H"	3.021828
"1176575"	88.032276	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+3H"	3.021828
"439613"	540.183823	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+NH4"	18.033823
"799388"	801.258823	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+NH4"	18.033823
"1696450"	279.108823	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+NH4"	18.033823
"343271"	270.5955495	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+H+NH4"	19.041099
"733506"	401.1330495	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+H+NH4"	19.041099
"1486233"	140.0580495	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H+NH4"	19.041099
"400541"	545.139218	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+Na"	22.989218
"761537"	806.214218	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+Na"	22.989218
"1607448"	284.064218	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Na"	22.989218
"319669"	273.073247	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+H+Na"	23.996494
"708199"	403.610747	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+H+Na"	23.996494
"1469190"	142.535747	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H+Na"	23.996494
"1053806"	95.35959	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2H+Na"	25.00377
"1258644"	294.108486	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+CH3OH+H"	33.033486
"380507"	561.113158	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+K"	38.963158
"739427"	822.188158	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+K"	38.963158
"1540751"	300.038158	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+K"	38.963158
"298661"	281.060217	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+H+K"	39.970434
"691931"	411.597717	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+H+K"	39.970434
"1451350"	150.522717	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H+K"	39.970434
"238492"	564.183826	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+ACN+H"	42.033826
"1214483"	303.108826	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+ACN+H"	42.033826
"1197272"	152.058051	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+ACN+2H"	43.041102
"199263"	567.12116	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+2Na-H"	44.97116
"641010"	828.19616	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+2Na-H"	44.97116
"1145610"	306.04616	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2Na-H"	44.97116
"185620"	284.064218	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+2Na"	45.978436
"620806"	414.601718	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+2Na"	45.978436
"1119934"	153.526718	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2Na"	45.978436
"1410026"	102.686904	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H+2Na"	46.985712
"1444331"	308.087746	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H+HCOOH"	47.012746
"230746"	289.09724	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+3H2O+2H"	56.04448
"1516620"	322.13979	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+IsoProp+H"	61.06479
"417403"	292.051188	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+Na+K"	61.952376
"779492"	422.588688	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+Na+K"	61.952376
"1672543"	161.513688	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Na+K"	61.952376
"257970"	586.165768	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+ACN+Na"	64.015768
"1240647"	325.090768	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+ACN+Na"	64.015768
"1727472"	325.114293	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+NH4+HCOOH"	64.039293
"1193835"	110.014218	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+3Na"	68.967654
"1661374"	330.069688	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Na+HCOOH"	68.994688
"172488"	599.06904	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+2K-H"	76.91904
"611077"	860.14404	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+2K-H"	76.91904
"1091215"	337.99404	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2K-H"	76.91904
"152405"	300.038158	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"2M+2K"	77.926316
"595126"	430.575658	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"3M+2K"	77.926316
"1077572"	169.500658	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2K"	77.926316
"1113940"	340.008592	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2K+H"	78.933592
"1350573"	340.096207	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+DMSO+H"	79.021207
"1020563"	344.135376	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2ACN+H"	83.060376
"1538076"	345.129008	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+IsoProp+Na+H"	84.054008
"1002458"	172.571326	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+2ACN+2H"	84.067652
"1598059"	346.043628	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+K+HCOOH"	84.968628
"1419348"	376.075138	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+H+CF3COOH"	115.000138
"1154011"	193.084601	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+3ACN+2H"	125.094202
"1700280"	393.101685	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+NH4+CF3COOH"	132.026685
"1637029"	398.05708	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+Na+CF3COOH"	136.98208
"1583616"	414.03102	"C13731"	"NS-102"	"C12H11N3O4"	"261.075"	"M+K+CF3COOH"	152.95602
"807420"	311.1369	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M"	0
"989464"	292.11851	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-H2O-H"	-19.01839
"77219"	206.417324	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M-3H"	-3.021828
"517874"	310.129624	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M-3H"	-3.021828
"894583"	102.705024	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-3H"	-3.021828
"9510"	310.129624	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M-2H"	-2.014552
"449069"	465.698074	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M-2H"	-2.014552
"826871"	154.561174	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-2H"	-2.014552
"94082"	621.266524	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M-H"	-1.007276
"533231"	932.403424	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M-H"	-1.007276
"909692"	310.129624	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-H"	-1.007276
"54225"	638.293071	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M-2H+NH4"	16.019271
"490505"	949.429971	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M-2H+NH4"	16.019271
"868308"	327.156171	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-2H+NH4"	16.019271
"41677"	643.248466	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M-2H+Na"	20.974666
"480144"	954.385366	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M-2H+Na"	20.974666
"854666"	332.111566	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-2H+Na"	20.974666
"1627481"	332.111566	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Na-2H"	20.974666
"104012"	328.117963	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M-H+Cl"	33.962126
"546853"	483.686413	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M-H+Cl"	33.962126
"940370"	172.549513	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-H+Cl"	33.962126
"278927"	657.243202	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+Cl"	34.969402
"671347"	968.380102	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+Cl"	34.969402
"1285937"	346.106302	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Cl"	34.969402
"28495"	659.222406	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M-2H+K"	36.948606
"468786"	970.359306	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M-2H+K"	36.948606
"843670"	348.085506	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-2H+K"	36.948606
"1569344"	348.085506	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+K-2H"	36.948606
"957233"	356.135094	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-H+HCOOH"	44.998194
"374349"	667.272001	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+HCOOH-H"	44.998201
"359327"	681.287651	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+Hac-H"	59.013851
"1505973"	370.150751	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Hac-H"	59.013851
"970961"	378.117051	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-H+NaCOOH"	66.980151
"114770"	346.106302	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+2Cl"	69.938804
"560529"	501.674752	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+2Cl"	69.938804
"1036505"	190.537852	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2Cl"	69.938804
"1256812"	390.055785	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Br"	78.918885
"1319877"	392.111772	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Cl+HCOOH"	80.974872
"1333230"	414.093729	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Cl+NaCOOH"	102.956829
"923193"	424.122486	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M-H+CF3COOH"	112.985586
"1300995"	460.099164	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Cl+CF3COOH"	148.962264
"1381710"	276.124224	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H-2H2O"	-35.012676
"1397021"	294.1342	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H-H2O"	-17.0027
"291236"	623.281076	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+H"	1.007276
"688034"	934.417976	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+H"	1.007276
"1363295"	312.144176	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H"	1.007276
"137276"	312.144176	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+2H"	2.014552
"577567"	467.712626	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+2H"	2.014552
"1050738"	156.575726	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2H"	2.014552
"217543"	208.431876	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+3H"	3.021828
"657834"	312.144176	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+3H"	3.021828
"1171221"	104.719576	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+3H"	3.021828
"435585"	640.307623	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+NH4"	18.033823
"798771"	951.444523	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+NH4"	18.033823
"1691823"	329.170723	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+NH4"	18.033823
"343382"	320.6574495	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+H+NH4"	19.041099
"728150"	476.2258995	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+H+NH4"	19.041099
"1479054"	165.0889995	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H+NH4"	19.041099
"394449"	645.263018	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+Na"	22.989218
"760553"	956.399918	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+Na"	22.989218
"1605370"	334.126118	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Na"	22.989218
"324153"	323.135147	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+H+Na"	23.996494
"707494"	478.703597	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+H+Na"	23.996494
"1461766"	167.566697	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H+Na"	23.996494
"1052861"	112.04689	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2H+Na"	25.00377
"1259118"	344.170386	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+CH3OH+H"	33.033486
"377573"	661.236958	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+K"	38.963158
"738720"	972.373858	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+K"	38.963158
"1540746"	350.100058	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+K"	38.963158
"300109"	331.122117	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+H+K"	39.970434
"695448"	486.690567	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+H+K"	39.970434
"1453648"	175.553667	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H+K"	39.970434
"240062"	664.307626	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+ACN+H"	42.033826
"1217145"	353.170726	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+ACN+H"	42.033826
"1199936"	177.089001	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+ACN+2H"	43.041102
"198280"	667.24496	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+2Na-H"	44.97116
"636745"	978.38186	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+2Na-H"	44.97116
"1144627"	356.10806	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2Na-H"	44.97116
"183543"	334.126118	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+2Na"	45.978436
"617635"	489.694568	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+2Na"	45.978436
"1117857"	178.557668	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2Na"	45.978436
"1399563"	119.374204	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H+2Na"	46.985712
"1435690"	358.149646	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H+HCOOH"	47.012746
"229763"	339.15914	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+3H2O+2H"	56.04448
"1520012"	372.20169	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+IsoProp+H"	61.06479
"420793"	342.113088	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+Na+K"	61.952376
"779602"	497.681538	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+Na+K"	61.952376
"1673746"	186.544638	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Na+K"	61.952376
"260266"	686.289568	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+ACN+Na"	64.015768
"1239542"	375.152668	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+ACN+Na"	64.015768
"1728021"	375.176193	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+NH4+HCOOH"	64.039293
"1193991"	126.701518	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+3Na"	68.967654
"1665390"	380.131588	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Na+HCOOH"	68.994688
"169441"	699.19284	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+2K-H"	76.91904
"612161"	1010.32974	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+2K-H"	76.91904
"1095700"	388.05594	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2K-H"	76.91904
"156409"	350.100058	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"2M+2K"	77.926316
"596906"	505.668508	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"3M+2K"	77.926316
"1077682"	194.531608	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2K"	77.926316
"1111988"	390.070492	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2K+H"	78.933592
"1350197"	390.158107	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+DMSO+H"	79.021207
"1017997"	394.197276	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2ACN+H"	83.060376
"1537216"	395.190908	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+IsoProp+Na+H"	84.054008
"999288"	197.602276	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+2ACN+2H"	84.067652
"1595980"	396.105528	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+K+HCOOH"	84.968628
"1417272"	426.137038	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+H+CF3COOH"	115.000138
"1151934"	218.115551	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+3ACN+2H"	125.094202
"1700390"	443.163585	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+NH4+CF3COOH"	132.026685
"1639328"	448.11898	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+Na+CF3COOH"	136.98208
"1583726"	464.09292	"C13732"	"Domoic acid"	"C15H21NO6"	"311.1369"	"M+K+CF3COOH"	152.95602
"805343"	228.111	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M"	0
"979971"	209.09261	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-H2O-H"	-19.01839
"69306"	151.066724	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M-3H"	-3.021828
"516159"	227.103724	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M-3H"	-3.021828
"893599"	75.029724	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-3H"	-3.021828
"6340"	227.103724	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M-2H"	-2.014552
"445899"	341.159224	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M-2H"	-2.014552
"826981"	113.048224	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-2H"	-2.014552
"92808"	455.214724	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M-H"	-1.007276
"529816"	683.325724	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M-H"	-1.007276
"906522"	227.103724	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-H"	-1.007276
"52148"	472.241271	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M-2H+NH4"	16.019271
"490615"	700.352271	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M-2H+NH4"	16.019271
"868418"	244.130271	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-2H+NH4"	16.019271
"40694"	477.196666	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M-2H+Na"	20.974666
"479160"	705.307666	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M-2H+Na"	20.974666
"851859"	249.085666	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-2H+Na"	20.974666
"1622124"	249.085666	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Na-2H"	20.974666
"101935"	245.092063	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M-H+Cl"	33.962126
"539308"	359.147563	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M-H+Cl"	33.962126
"937200"	131.036563	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-H+Cl"	33.962126
"276850"	491.191402	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+Cl"	34.969402
"671457"	719.302402	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+Cl"	34.969402
"1283860"	263.080402	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Cl"	34.969402
"28240"	493.170606	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M-2H+K"	36.948606
"468165"	721.281606	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M-2H+K"	36.948606
"844873"	265.059606	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-2H+K"	36.948606
"1569455"	265.059606	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+K-2H"	36.948606
"956975"	273.109194	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-H+HCOOH"	44.998194
"375554"	501.220201	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+HCOOH-H"	44.998201
"359803"	515.235851	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+Hac-H"	59.013851
"1503893"	287.124851	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Hac-H"	59.013851
"970341"	295.091151	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-H+NaCOOH"	66.980151
"111963"	263.080402	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+2Cl"	69.938804
"558816"	377.135902	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+2Cl"	69.938804
"1036008"	149.024902	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2Cl"	69.938804
"1255950"	307.029885	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Br"	78.918885
"1319491"	309.085872	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Cl+HCOOH"	80.974872
"1333340"	331.067829	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Cl+NaCOOH"	102.956829
"923667"	341.096586	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M-H+CF3COOH"	112.985586
"1300741"	377.073264	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Cl+CF3COOH"	148.962264
"1381214"	193.098324	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H-2H2O"	-35.012676
"1397131"	211.1083	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H-H2O"	-17.0027
"290253"	457.229276	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+H"	1.007276
"680489"	685.340276	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+H"	1.007276
"1363769"	229.118276	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H"	1.007276
"136291"	229.118276	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+2H"	2.014552
"576945"	343.173776	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+2H"	2.014552
"1049389"	115.062776	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2H"	2.014552
"214737"	153.081276	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+3H"	3.021828
"658307"	229.118276	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+3H"	3.021828
"1174609"	77.044276	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+3H"	3.021828
"438611"	474.255823	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+NH4"	18.033823
"797784"	702.366823	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+NH4"	18.033823
"1686463"	246.144823	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+NH4"	18.033823
"341304"	237.6315495	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+H+NH4"	19.041099
"723032"	351.6870495	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+H+NH4"	19.041099
"1479165"	123.5760495	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H+NH4"	19.041099
"393709"	479.211218	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+Na"	22.989218
"757383"	707.322218	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+Na"	22.989218
"1605480"	251.100218	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Na"	22.989218
"314579"	240.109247	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+H+Na"	23.996494
"708297"	354.164747	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+H+Na"	23.996494
"1462848"	126.053747	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H+Na"	23.996494
"1053296"	84.37159	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2H+Na"	25.00377
"1258131"	261.144486	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+CH3OH+H"	33.033486
"377235"	495.185158	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+K"	38.963158
"738795"	723.296158	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+K"	38.963158
"1540282"	267.074158	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+K"	38.963158
"298916"	248.096217	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+H+K"	39.970434
"692639"	362.151717	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+H+K"	39.970434
"1451571"	134.040717	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H+K"	39.970434
"238347"	498.255826	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+ACN+H"	42.033826
"1213973"	270.144826	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+ACN+H"	42.033826
"1194814"	135.576051	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+ACN+2H"	43.041102
"190732"	501.19316	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+2Na-H"	44.97116
"631386"	729.30416	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+2Na-H"	44.97116
"1141456"	273.08216	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2Na-H"	44.97116
"180372"	251.100218	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+2Na"	45.978436
"617745"	365.155718	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+2Na"	45.978436
"1117967"	137.044718	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2Na"	45.978436
"1398944"	91.698904	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H+2Na"	46.985712
"1432520"	275.123746	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H+HCOOH"	47.012746
"229873"	256.13324	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+3H2O+2H"	56.04448
"1520122"	289.17579	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+IsoProp+H"	61.06479
"417623"	259.087188	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+Na+K"	61.952376
"775338"	373.142688	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+Na+K"	61.952376
"1668387"	145.031688	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Na+K"	61.952376
"253449"	520.237768	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+ACN+Na"	64.015768
"1240745"	292.126768	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+ACN+Na"	64.015768
"1728255"	292.150293	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+NH4+HCOOH"	64.039293
"1193773"	99.026218	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+3Na"	68.967654
"1665561"	297.105688	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Na+HCOOH"	68.994688
"168457"	533.14104	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+2K-H"	76.91904
"612734"	761.25204	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+2K-H"	76.91904
"1093623"	305.03004	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2K-H"	76.91904
"155425"	267.074158	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"2M+2K"	77.926316
"597049"	381.129658	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"3M+2K"	77.926316
"1077792"	153.018658	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2K"	77.926316
"1113191"	307.044592	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2K+H"	78.933592
"1350428"	307.132207	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+DMSO+H"	79.021207
"1020661"	311.171376	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2ACN+H"	83.060376
"1536233"	312.165008	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+IsoProp+Na+H"	84.054008
"999398"	156.089326	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+2ACN+2H"	84.067652
"1594997"	313.079628	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+K+HCOOH"	84.968628
"1414950"	343.111138	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+H+CF3COOH"	115.000138
"1148764"	176.602601	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+3ACN+2H"	125.094202
"1697462"	360.137685	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+NH4+CF3COOH"	132.026685
"1639438"	365.09308	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+Na+CF3COOH"	136.98208
"1583836"	381.06702	"C13733"	"(S)-ATPA"	"C10H16N2O4"	"228.111"	"M+K+CF3COOH"	152.95602
"804360"	197.0453	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M"	0
"978988"	178.02691	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-H2O-H"	-19.01839
"68323"	130.356257333333	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M-3H"	-3.021828
"516269"	196.038024	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M-3H"	-3.021828
"891885"	64.6744906666667	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-3H"	-3.021828
"5355"	196.038024	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M-2H"	-2.014552
"443821"	294.560674	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M-2H"	-2.014552
"823810"	97.515374	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-2H"	-2.014552
"91457"	393.083324	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M-H"	-1.007276
"531019"	590.128624	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M-H"	-1.007276
"902262"	196.038024	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-H"	-1.007276
"51165"	410.109871	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M-2H+NH4"	16.019271
"492181"	607.155171	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M-2H+NH4"	16.019271
"868890"	213.064571	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-2H+NH4"	16.019271
"40804"	415.065266	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M-2H+Na"	20.974666
"479270"	612.110566	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M-2H+Na"	20.974666
"851605"	218.019966	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-2H+Na"	20.974666
"1623328"	218.019966	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Na-2H"	20.974666
"102045"	214.026363	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M-H+Cl"	33.962126
"539418"	312.549013	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M-H+Cl"	33.962126
"937310"	115.503713	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-H+Cl"	33.962126
"275867"	429.060002	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+Cl"	34.969402
"670474"	626.105302	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+Cl"	34.969402
"1283970"	232.014702	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Cl"	34.969402
"26528"	431.039206	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M-2H+K"	36.948606
"468641"	628.084506	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M-2H+K"	36.948606
"845715"	233.993906	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-2H+K"	36.948606
"1568836"	233.993906	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+K-2H"	36.948606
"956721"	242.043494	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-H+HCOOH"	44.998194
"374936"	439.088801	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+HCOOH-H"	44.998201
"359549"	453.104451	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+Hac-H"	59.013851
"1504003"	256.059151	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Hac-H"	59.013851
"969358"	264.025451	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-H+NaCOOH"	66.980151
"112802"	232.014702	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+2Cl"	69.938804
"556740"	330.537352	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+2Cl"	69.938804
"1036856"	133.492052	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2Cl"	69.938804
"1256792"	275.964185	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Br"	78.918885
"1317048"	278.020172	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Cl+HCOOH"	80.974872
"1331627"	300.002129	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Cl+NaCOOH"	102.956829
"924508"	310.030886	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M-H+CF3COOH"	112.985586
"1299394"	346.007564	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Cl+CF3COOH"	148.962264
"1379742"	162.032624	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H-2H2O"	-35.012676
"1396877"	180.0426	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H-H2O"	-17.0027
"290363"	395.097876	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+H"	1.007276
"681692"	592.143176	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+H"	1.007276
"1364972"	198.052576	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H"	1.007276
"136401"	198.052576	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+2H"	2.014552
"577055"	296.575226	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+2H"	2.014552
"1049499"	99.529926	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2H"	2.014552
"214847"	132.370809333333	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+3H"	3.021828
"656230"	198.052576	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+3H"	3.021828
"1177962"	66.6890426666667	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+3H"	3.021828
"435805"	412.124423	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+NH4"	18.033823
"797895"	609.169723	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+NH4"	18.033823
"1687666"	215.079123	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+NH4"	18.033823
"338134"	206.5658495	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+H+NH4"	19.041099
"723140"	305.0884995	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+H+NH4"	19.041099
"1478546"	108.0431995	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H+NH4"	19.041099
"393088"	417.079818	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+Na"	22.989218
"754452"	614.125118	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+Na"	22.989218
"1603398"	220.034518	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Na"	22.989218
"314407"	209.043547	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+H+Na"	23.996494
"707428"	307.566197	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+H+Na"	23.996494
"1461410"	110.520897	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H+Na"	23.996494
"1053890"	74.0163566666667	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2H+Na"	25.00377
"1258606"	230.078786	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+CH3OH+H"	33.033486
"377583"	433.053758	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+K"	38.963158
"739024"	630.099058	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+K"	38.963158
"1540227"	236.008458	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+K"	38.963158
"298985"	217.030517	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+H+K"	39.970434
"691610"	315.553167	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+H+K"	39.970434
"1445959"	118.507867	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H+K"	39.970434
"237728"	436.124426	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+ACN+H"	42.033826
"1214083"	239.079126	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+ACN+H"	42.033826
"1195533"	120.043201	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+ACN+2H"	43.041102
"191572"	439.06176	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+2Na-H"	44.97116
"630765"	636.10706	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+2Na-H"	44.97116
"1136460"	242.01646	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2Na-H"	44.97116
"180482"	220.034518	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+2Na"	45.978436
"614206"	318.557168	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+2Na"	45.978436
"1116615"	121.511868	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2Na"	45.978436
"1399782"	81.3436706666667	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H+2Na"	46.985712
"1432630"	244.058046	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H+HCOOH"	47.012746
"220619"	225.06754	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+3H2O+2H"	56.04448
"1512577"	258.11009	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+IsoProp+H"	61.06479
"412265"	228.021488	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+Na+K"	61.952376
"772166"	326.544138	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+Na+K"	61.952376
"1666177"	129.498838	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Na+K"	61.952376
"251736"	458.106368	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+ACN+Na"	64.015768
"1239762"	261.061068	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+ACN+Na"	64.015768
"1725365"	261.084593	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+NH4+HCOOH"	64.039293
"1193637"	88.6709846666667	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+3Na"	68.967654
"1664992"	266.039988	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Na+HCOOH"	68.994688
"172658"	471.00964	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+2K-H"	76.91904
"610315"	668.05494	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+2K-H"	76.91904
"1092640"	273.96434	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2K-H"	76.91904
"153833"	236.008458	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"2M+2K"	77.926316
"596433"	334.531108	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"3M+2K"	77.926316
"1082157"	137.485808	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2K"	77.926316
"1112208"	275.978892	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2K+H"	78.933592
"1350906"	276.066507	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+DMSO+H"	79.021207
"1019799"	280.105676	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2ACN+H"	83.060376
"1538410"	281.099308	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+IsoProp+Na+H"	84.054008
"1002789"	140.556476	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+2ACN+2H"	84.067652
"1596199"	282.013928	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+K+HCOOH"	84.968628
"1414695"	312.045438	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+H+CF3COOH"	115.000138
"1148874"	161.069751	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+3ACN+2H"	125.094202
"1698423"	329.071985	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+NH4+CF3COOH"	132.026685
"1639548"	334.02738	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+Na+CF3COOH"	136.98208
"1583946"	350.00132	"C13734"	"2-Amino-5-phosphopentanoic acid"	"C5H12NO5P"	"197.0453"	"M+K+CF3COOH"	152.95602
"804470"	223.061	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M"	0
"979098"	204.04261	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-H2O-H"	-19.01839
"68433"	147.700057333333	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M-3H"	-3.021828
"515287"	222.053724	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M-3H"	-3.021828
"890174"	73.3463906666667	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-3H"	-3.021828
"1213"	222.053724	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M-2H"	-2.014552
"446119"	333.584224	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M-2H"	-2.014552
"823921"	110.523224	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-2H"	-2.014552
"89381"	445.114724	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M-H"	-1.007276
"532710"	668.175724	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M-H"	-1.007276
"902372"	222.053724	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-H"	-1.007276
"52367"	462.141271	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M-2H+NH4"	16.019271
"492656"	685.202271	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M-2H+NH4"	16.019271
"870095"	239.080271	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-2H+NH4"	16.019271
"40913"	467.096666	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M-2H+Na"	20.974666
"476464"	690.157666	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M-2H+Na"	20.974666
"852079"	244.035666	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-2H+Na"	20.974666
"1624531"	244.035666	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Na-2H"	20.974666
"96688"	240.042063	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M-H+Cl"	33.962126
"539528"	351.572563	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M-H+Cl"	33.962126
"930858"	128.511563	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-H+Cl"	33.962126
"271603"	481.091402	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+Cl"	34.969402
"667304"	704.152402	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+Cl"	34.969402
"1284079"	258.030402	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Cl"	34.969402
"25542"	483.070606	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M-2H+K"	36.948606
"467292"	706.131606	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M-2H+K"	36.948606
"842905"	260.009606	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-2H+K"	36.948606
"1567485"	260.009606	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+K-2H"	36.948606
"957192"	268.059194	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-H+HCOOH"	44.998194
"372490"	491.120201	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+HCOOH-H"	44.998201
"356374"	505.135851	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+Hac-H"	59.013851
"1500833"	282.074851	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Hac-H"	59.013851
"964000"	290.041151	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-H+NaCOOH"	66.980151
"113272"	258.030402	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+2Cl"	69.938804
"555756"	369.560902	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+2Cl"	69.938804
"1036237"	146.499902	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2Cl"	69.938804
"1255442"	301.979885	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Br"	78.918885
"1317158"	304.035872	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Cl+HCOOH"	80.974872
"1331736"	326.017829	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Cl+NaCOOH"	102.956829
"923889"	336.046586	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M-H+CF3COOH"	112.985586
"1299504"	372.023264	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Cl+CF3COOH"	148.962264
"1380580"	188.048324	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H-2H2O"	-35.012676
"1395889"	206.0583	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H-H2O"	-17.0027
"296305"	447.129276	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+H"	1.007276
"681799"	670.190276	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+H"	1.007276
"1363988"	224.068276	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H"	1.007276
"137607"	224.068276	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+2H"	2.014552
"580082"	335.598776	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+2H"	2.014552
"1048151"	112.537776	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2H"	2.014552
"214958"	149.714609333333	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+3H"	3.021828
"652331"	224.068276	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+3H"	3.021828
"1178112"	75.3609426666667	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+3H"	3.021828
"433729"	464.155823	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+NH4"	18.033823
"795817"	687.216823	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+NH4"	18.033823
"1685590"	241.094823	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+NH4"	18.033823
"338244"	232.5815495	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+H+NH4"	19.041099
"725926"	344.1120495	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+H+NH4"	19.041099
"1480479"	121.0510495	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H+NH4"	19.041099
"393926"	469.111218	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+Na"	22.989218
"754927"	692.172218	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+Na"	22.989218
"1603389"	246.050218	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Na"	22.989218
"314879"	235.059247	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+H+Na"	23.996494
"707583"	346.589747	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+H+Na"	23.996494
"1462460"	123.528747	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H+Na"	23.996494
"1053394"	82.6882566666667	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2H+Na"	25.00377
"1258107"	256.094486	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+CH3OH+H"	33.033486
"377660"	485.085158	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+K"	38.963158
"739141"	708.146158	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+K"	38.963158
"1540222"	262.024158	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+K"	38.963158
"302261"	243.046217	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+H+K"	39.970434
"693224"	354.576717	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+H+K"	39.970434
"1447409"	131.515717	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H+K"	39.970434
"238931"	488.155826	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+ACN+H"	42.033826
"1212369"	265.094826	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+ACN+H"	42.033826
"1196616"	133.051051	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+ACN+2H"	43.041102
"192775"	491.09316	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+2Na-H"	44.97116
"632332"	714.15416	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+2Na-H"	44.97116
"1136934"	268.03216	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2Na-H"	44.97116
"176215"	246.050218	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+2Na"	45.978436
"614317"	357.580718	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+2Na"	45.978436
"1117089"	134.519718	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2Na"	45.978436
"1400377"	90.0155706666667	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H+2Na"	46.985712
"1431768"	270.073746	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H+HCOOH"	47.012746
"220851"	251.08324	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+3H2O+2H"	56.04448
"1511592"	284.12579	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+IsoProp+H"	61.06479
"411282"	254.037188	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+Na+K"	61.952376
"770243"	365.567688	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+Na+K"	61.952376
"1666367"	142.506688	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Na+K"	61.952376
"253423"	510.137768	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+ACN+Na"	64.015768
"1237685"	287.076768	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+ACN+Na"	64.015768
"1724383"	287.100293	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+NH4+HCOOH"	64.039293
"1192898"	97.3428846666667	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+3Na"	68.967654
"1665185"	292.055688	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Na+HCOOH"	68.994688
"172492"	523.04104	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+2K-H"	76.91904
"610425"	746.10204	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+2K-H"	76.91904
"1098097"	299.98004	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2K-H"	76.91904
"152848"	262.024158	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"2M+2K"	77.926316
"595814"	373.554658	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"3M+2K"	77.926316
"1083238"	150.493658	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2K"	77.926316
"1114142"	301.994592	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2K+H"	78.933592
"1350286"	302.082207	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+DMSO+H"	79.021207
"1020639"	306.121376	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2ACN+H"	83.060376
"1537548"	307.115008	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+IsoProp+Na+H"	84.054008
"1002899"	153.564326	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+2ACN+2H"	84.067652
"1599591"	308.029628	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+K+HCOOH"	84.968628
"1415654"	338.061138	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+H+CF3COOH"	115.000138
"1150077"	174.077601	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+3ACN+2H"	125.094202
"1698895"	355.087685	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+NH4+CF3COOH"	132.026685
"1639658"	360.04308	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+Na+CF3COOH"	136.98208
"1584056"	376.01702	"C13735"	"Selfotel"	"C7H14NO5P"	"223.061"	"M+K+CF3COOH"	152.95602
"806767"	179.1674	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M"	0
"984674"	160.14901	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-H2O-H"	-19.01839
"71823"	118.437657333333	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M-3H"	-3.021828
"517219"	178.160124	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M-3H"	-3.021828
"890285"	58.7151906666667	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-3H"	-3.021828
"5576"	178.160124	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M-2H"	-2.014552
"444041"	267.743824	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M-2H"	-2.014552
"824031"	88.576424	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-2H"	-2.014552
"87305"	357.327524	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M-H"	-1.007276
"527959"	536.494924	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M-H"	-1.007276
"901389"	178.160124	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-H"	-1.007276
"51384"	374.354071	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M-2H+NH4"	16.019271
"492039"	553.521471	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M-2H+NH4"	16.019271
"868745"	195.186671	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-2H+NH4"	16.019271
"35189"	379.309466	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M-2H+Na"	20.974666
"478396"	558.476866	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M-2H+Na"	20.974666
"851822"	200.142066	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-2H+Na"	20.974666
"1622814"	200.142066	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Na-2H"	20.974666
"104453"	196.148463	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M-H+Cl"	33.962126
"542918"	285.732163	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M-H+Cl"	33.962126
"934248"	106.564763	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-H+Cl"	33.962126
"273900"	393.304202	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+Cl"	34.969402
"671787"	572.471602	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+Cl"	34.969402
"1282002"	214.136802	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Cl"	34.969402
"22372"	395.283406	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M-2H+K"	36.948606
"469588"	574.450806	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M-2H+K"	36.948606
"843015"	216.116006	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-2H+K"	36.948606
"1567595"	216.116006	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+K-2H"	36.948606
"955114"	224.165594	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-H+HCOOH"	44.998194
"369320"	403.333001	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+HCOOH-H"	44.998201
"353204"	417.348651	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+Hac-H"	59.013851
"1500943"	238.181251	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Hac-H"	59.013851
"965203"	246.147551	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-H+NaCOOH"	66.980151
"114112"	214.136802	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+2Cl"	69.938804
"556958"	303.720502	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+2Cl"	69.938804
"1033055"	124.553102	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2Cl"	69.938804
"1251901"	258.086285	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Br"	78.918885
"1315080"	260.142272	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Cl+HCOOH"	80.974872
"1332578"	282.124229	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Cl+NaCOOH"	102.956829
"925096"	292.152986	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M-H+CF3COOH"	112.985586
"1297425"	328.129664	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Cl+CF3COOH"	148.962264
"1375586"	144.154724	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H-2H2O"	-35.012676
"1394541"	162.1647	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H-H2O"	-17.0027
"293863"	359.342076	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+H"	1.007276
"681908"	538.509476	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+H"	1.007276
"1360818"	180.174676	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H"	1.007276
"138812"	180.174676	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+2H"	2.014552
"577276"	269.758376	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+2H"	2.014552
"1046440"	90.590976	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2H"	2.014552
"214704"	120.452209333333	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+3H"	3.021828
"651347"	180.174676	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+3H"	3.021828
"1173117"	60.7297426666667	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+3H"	3.021828
"432744"	376.368623	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+NH4"	18.033823
"795562"	555.536023	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+NH4"	18.033823
"1690069"	197.201223	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+NH4"	18.033823
"332884"	188.6879495	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+H+NH4"	19.041099
"723848"	278.2716495	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+H+NH4"	19.041099
"1479130"	99.1042495	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H+NH4"	19.041099
"395987"	381.324018	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+Na"	22.989218
"755279"	560.491418	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+Na"	22.989218
"1604717"	202.156618	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Na"	22.989218
"315356"	191.165647	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+H+Na"	23.996494
"707288"	280.749347	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+H+Na"	23.996494
"1462448"	101.581947	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H+Na"	23.996494
"1053507"	68.0570566666667	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2H+Na"	25.00377
"1257609"	212.200886	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+CH3OH+H"	33.033486
"378501"	397.297958	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+K"	38.963158
"740954"	576.465358	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+K"	38.963158
"1540941"	218.130558	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+K"	38.963158
"303464"	199.152617	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+H+K"	39.970434
"695885"	288.736317	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+H+K"	39.970434
"1448614"	109.568917	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H+K"	39.970434
"239043"	400.368626	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+ACN+H"	42.033826
"1212480"	221.201226	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+ACN+H"	42.033826
"1197456"	111.104251	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+ACN+2H"	43.041102
"192885"	403.30596	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+2Na-H"	44.97116
"632807"	582.47336	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+2Na-H"	44.97116
"1137044"	224.13856	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2Na-H"	44.97116
"175597"	202.156618	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+2Na"	45.978436
"613576"	291.740318	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+2Na"	45.978436
"1116834"	112.572918	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2Na"	45.978436
"1401095"	75.3843706666667	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H+2Na"	46.985712
"1431027"	226.180146	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H+HCOOH"	47.012746
"220719"	207.18964	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+3H2O+2H"	56.04448
"1511338"	240.23219	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+IsoProp+H"	61.06479
"414671"	210.143588	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+Na+K"	61.952376
"770558"	299.727288	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+Na+K"	61.952376
"1666523"	120.559888	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Na+K"	61.952376
"252562"	422.350568	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+ACN+Na"	64.015768
"1237796"	243.183168	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+ACN+Na"	64.015768
"1724493"	243.206693	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+NH4+HCOOH"	64.039293
"1194023"	82.7116846666667	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+3Na"	68.967654
"1664844"	248.162088	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Na+HCOOH"	68.994688
"172192"	435.25384	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+2K-H"	76.91904
"612358"	614.42124	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+2K-H"	76.91904
"1099180"	256.08644	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2K-H"	76.91904
"151865"	218.130558	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"2M+2K"	77.926316
"595799"	307.714258	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"3M+2K"	77.926316
"1083105"	128.546858	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2K"	77.926316
"1114497"	258.100992	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2K+H"	78.933592
"1350641"	258.188607	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+DMSO+H"	79.021207
"1020628"	262.227776	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2ACN+H"	83.060376
"1538630"	263.221408	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+IsoProp+Na+H"	84.054008
"1003008"	131.617526	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+2ACN+2H"	84.067652
"1597514"	264.136028	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+K+HCOOH"	84.968628
"1414674"	294.167538	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+H+CF3COOH"	115.000138
"1151281"	152.130801	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+3ACN+2H"	125.094202
"1699006"	311.194085	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+NH4+CF3COOH"	132.026685
"1639768"	316.14948	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+Na+CF3COOH"	136.98208
"1584166"	332.12342	"C13736"	"Memantine"	"C12H21N"	"179.1674"	"M+K+CF3COOH"	152.95602
"807970"	221.1204	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M"	0
"985878"	202.10201	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-H2O-H"	-19.01839
"70840"	146.406324	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M-3H"	-3.021828
"515869"	220.113124	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M-3H"	-3.021828
"890396"	72.699524	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-3H"	-3.021828
"11152"	220.113124	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M-2H"	-2.014552
"446339"	330.673324	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M-2H"	-2.014552
"824141"	109.552924	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-2H"	-2.014552
"86321"	441.233524	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M-H"	-1.007276
"530255"	662.353924	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M-H"	-1.007276
"902593"	220.113124	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-H"	-1.007276
"51494"	458.260071	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M-2H+NH4"	16.019271
"492149"	679.380471	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M-2H+NH4"	16.019271
"867762"	237.139671	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-2H+NH4"	16.019271
"35299"	463.215466	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M-2H+Na"	20.974666
"478506"	684.335866	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M-2H+Na"	20.974666
"851203"	242.095066	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-2H+Na"	20.974666
"1621101"	242.095066	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Na-2H"	20.974666
"103470"	238.101463	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M-H+Cl"	33.962126
"543028"	348.661663	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M-H+Cl"	33.962126
"932172"	127.541263	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-H+Cl"	33.962126
"272917"	477.210202	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+Cl"	34.969402
"669711"	698.330602	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+Cl"	34.969402
"1282112"	256.089802	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Cl"	34.969402
"22482"	479.189406	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M-2H+K"	36.948606
"468605"	700.309806	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M-2H+K"	36.948606
"844218"	258.069006	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-2H+K"	36.948606
"1566612"	258.069006	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+K-2H"	36.948606
"955588"	266.118594	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-H+HCOOH"	44.998194
"372346"	487.239001	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+HCOOH-H"	44.998201
"353314"	501.254651	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+Hac-H"	59.013851
"1501053"	280.134251	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Hac-H"	59.013851
"964220"	288.100551	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-H+NaCOOH"	66.980151
"112035"	256.089802	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+2Cl"	69.938804
"557068"	366.650002	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+2Cl"	69.938804
"1034989"	145.529602	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2Cl"	69.938804
"1253104"	300.039285	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Br"	78.918885
"1316648"	302.095272	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Cl+HCOOH"	80.974872
"1331592"	324.077229	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Cl+NaCOOH"	102.956829
"925569"	334.105986	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M-H+CF3COOH"	112.985586
"1294255"	370.082664	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Cl+CF3COOH"	148.962264
"1375696"	186.107724	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H-2H2O"	-35.012676
"1394651"	204.1177	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H-H2O"	-17.0027
"290692"	443.248076	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+H"	1.007276
"682017"	664.368476	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+H"	1.007276
"1358372"	222.127676	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H"	1.007276
"136733"	222.127676	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+2H"	2.014552
"576291"	332.687876	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+2H"	2.014552
"1043267"	111.567476	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2H"	2.014552
"211898"	148.420876	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+3H"	3.021828
"650364"	222.127676	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+3H"	3.021828
"1171404"	74.714076	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+3H"	3.021828
"431760"	460.274623	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+NH4"	18.033823
"791661"	681.395023	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+NH4"	18.033823
"1686899"	239.154223	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+NH4"	18.033823
"332630"	230.6409495	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+H+NH4"	19.041099
"723351"	341.2011495	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+H+NH4"	19.041099
"1478268"	120.0807495	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H+NH4"	19.041099
"393662"	465.230018	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+Na"	22.989218
"755024"	686.350418	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+Na"	22.989218
"1605552"	244.109618	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Na"	22.989218
"316682"	233.118647	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+H+Na"	23.996494
"707140"	343.678847	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+H+Na"	23.996494
"1464747"	122.558447	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H+Na"	23.996494
"1056169"	82.04139	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2H+Na"	25.00377
"1257087"	254.153886	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+CH3OH+H"	33.033486
"377758"	481.203958	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+K"	38.963158
"738876"	702.324358	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+K"	38.963158
"1539888"	260.083558	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+K"	38.963158
"301751"	241.105617	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+H+K"	39.970434
"691386"	351.665817	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+H+K"	39.970434
"1448723"	130.545417	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H+K"	39.970434
"236599"	484.274626	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+ACN+H"	42.033826
"1210767"	263.154226	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+ACN+H"	42.033826
"1195495"	132.080751	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+ACN+2H"	43.041102
"193361"	487.21196	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+2Na-H"	44.97116
"632919"	708.33236	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+2Na-H"	44.97116
"1133388"	266.09156	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2Na-H"	44.97116
"174370"	244.109618	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+2Na"	45.978436
"614284"	354.669818	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+2Na"	45.978436
"1116818"	133.549418	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2Na"	45.978436
"1399140"	89.368704	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H+2Na"	46.985712
"1429957"	268.133146	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H+HCOOH"	47.012746
"220174"	249.14264	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+3H2O+2H"	56.04448
"1508695"	282.18519	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+IsoProp+H"	61.06479
"409545"	252.096588	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+Na+K"	61.952376
"769988"	362.656788	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+Na+K"	61.952376
"1666023"	141.536388	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Na+K"	61.952376
"252784"	506.256568	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+ACN+Na"	64.015768
"1238998"	285.136168	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+ACN+Na"	64.015768
"1724603"	285.159693	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+NH4+HCOOH"	64.039293
"1192874"	96.696018	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+3Na"	68.967654
"1665196"	290.115088	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Na+HCOOH"	68.994688
"171450"	519.15984	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+2K-H"	76.91904
"611739"	740.28024	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+2K-H"	76.91904
"1099169"	298.03944	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2K-H"	76.91904
"151975"	260.083558	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"2M+2K"	77.926316
"594816"	370.643758	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"3M+2K"	77.926316
"1082486"	149.523358	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2K"	77.926316
"1113511"	300.053992	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2K+H"	78.933592
"1351196"	300.141607	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+DMSO+H"	79.021207
"1020371"	304.180776	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2ACN+H"	83.060376
"1538740"	305.174408	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+IsoProp+Na+H"	84.054008
"1002026"	152.594026	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+2ACN+2H"	84.067652
"1597624"	306.089028	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+K+HCOOH"	84.968628
"1414784"	336.120538	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+H+CF3COOH"	115.000138
"1150298"	173.107301	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+3ACN+2H"	125.094202
"1699480"	353.147085	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+NH4+CF3COOH"	132.026685
"1639878"	358.10248	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+Na+CF3COOH"	136.98208
"1584276"	374.07642	"C13737"	"Dizocilpine;MK801"	"C16H15N"	"221.1204"	"M+K+CF3COOH"	152.95602
"804800"	143.0443	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M"	0
"979428"	124.02591	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-H2O-H"	-19.01839
"73137"	94.3555906666667	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M-3H"	-3.021828
"517802"	142.037024	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M-3H"	-3.021828
"890505"	46.6741573333333	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-3H"	-3.021828
"7983"	142.037024	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M-2H"	-2.014552
"451553"	213.559174	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M-2H"	-2.014552
"827533"	70.514874	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-2H"	-2.014552
"84248"	285.081324	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M-H"	-1.007276
"530370"	428.125624	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M-H"	-1.007276
"902705"	142.037024	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-H"	-1.007276
"61933"	302.107871	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M-2H+NH4"	16.019271
"500643"	445.152171	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M-2H+NH4"	16.019271
"872248"	159.063571	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-2H+NH4"	16.019271
"40149"	307.063266	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M-2H+Na"	20.974666
"477524"	450.107566	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M-2H+Na"	20.974666
"854231"	164.018966	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-2H+Na"	20.974666
"1621578"	164.018966	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Na-2H"	20.974666
"104673"	160.025363	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M-H+Cl"	33.962126
"539858"	231.547513	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M-H+Cl"	33.962126
"935562"	88.503213	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-H+Cl"	33.962126
"277401"	321.058002	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+Cl"	34.969402
"670915"	464.102302	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+Cl"	34.969402
"1284410"	178.013702	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Cl"	34.969402
"25872"	323.037206	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M-2H+K"	36.948606
"469808"	466.081506	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M-2H+K"	36.948606
"844328"	179.992906	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-2H+K"	36.948606
"1568908"	179.992906	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+K-2H"	36.948606
"955699"	188.042494	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-H+HCOOH"	44.998194
"374644"	331.086801	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+HCOOH-H"	44.998201
"356704"	345.102451	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+Hac-H"	59.013851
"1498976"	202.058151	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Hac-H"	59.013851
"964330"	210.024451	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-H+NaCOOH"	66.980151
"112144"	178.013702	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+2Cl"	69.938804
"556085"	249.535852	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+2Cl"	69.938804
"1036439"	106.491552	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2Cl"	69.938804
"1255039"	221.963185	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Br"	78.918885
"1318941"	224.019172	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Cl+HCOOH"	80.974872
"1333891"	246.001129	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Cl+NaCOOH"	102.956829
"925679"	256.029886	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M-H+CF3COOH"	112.985586
"1297647"	292.006564	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Cl+CF3COOH"	148.962264
"1374713"	108.031624	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H-2H2O"	-35.012676
"1390021"	126.0416	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H-H2O"	-17.0027
"286791"	287.095876	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+H"	1.007276
"678846"	430.140176	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+H"	1.007276
"1352645"	144.051576	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H"	1.007276
"133926"	144.051576	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+2H"	2.014552
"573851"	215.573726	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+2H"	2.014552
"1043014"	72.529426	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2H"	2.014552
"209821"	96.3701426666667	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+3H"	3.021828
"650474"	144.051576	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+3H"	3.021828
"1168599"	48.6887093333333	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+3H"	3.021828
"427498"	304.122423	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+NH4"	18.033823
"791772"	447.166723	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+NH4"	18.033823
"1685918"	161.078123	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+NH4"	18.033823
"331280"	152.5648495	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+H+NH4"	19.041099
"725161"	224.0869995	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+H+NH4"	19.041099
"1477893"	81.0426995	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H+NH4"	19.041099
"396938"	309.077818	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+Na"	22.989218
"754653"	452.122118	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+Na"	22.989218
"1606028"	166.033518	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Na"	22.989218
"316427"	155.042547	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+H+Na"	23.996494
"707631"	226.564697	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+H+Na"	23.996494
"1462305"	83.520397	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H+Na"	23.996494
"1054457"	56.0160233333333	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2H+Na"	25.00377
"1257217"	176.077786	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+CH3OH+H"	33.033486
"378348"	325.051758	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+K"	38.963158
"738739"	468.096058	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+K"	38.963158
"1539885"	182.007458	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+K"	38.963158
"299186"	163.029517	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+H+K"	39.970434
"691433"	234.551667	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+H+K"	39.970434
"1447009"	91.507367	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H+K"	39.970434
"235814"	328.122426	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+ACN+H"	42.033826
"1211608"	185.078126	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+ACN+H"	42.033826
"1196950"	93.042701	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+ACN+2H"	43.041102
"194564"	331.05976	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+2Na-H"	44.97116
"633030"	474.10406	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+2Na-H"	44.97116
"1135444"	188.01546	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2Na-H"	44.97116
"174967"	166.033518	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+2Na"	45.978436
"613913"	237.555668	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+2Na"	45.978436
"1117419"	94.511368	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2Na"	45.978436
"1399980"	63.3433373333333	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H+2Na"	46.985712
"1430512"	190.057046	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H+HCOOH"	47.012746
"220571"	171.06654	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+3H2O+2H"	56.04448
"1508795"	204.10909	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+IsoProp+H"	61.06479
"409774"	174.020488	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+Na+K"	61.952376
"770084"	245.542638	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+Na+K"	61.952376
"1667100"	102.498338	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Na+K"	61.952376
"252162"	350.104368	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+ACN+Na"	64.015768
"1235465"	207.060068	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+ACN+Na"	64.015768
"1723255"	207.083593	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+NH4+HCOOH"	64.039293
"1189702"	70.6706513333333	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+3Na"	68.967654
"1662146"	212.038988	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Na+HCOOH"	68.994688
"165729"	363.00764	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+2K-H"	76.91904
"609662"	506.05194	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+2K-H"	76.91904
"1096364"	219.96334	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2K-H"	76.91904
"152087"	182.007458	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"2M+2K"	77.926316
"587273"	253.529608	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"3M+2K"	77.926316
"1077251"	110.485308	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2K"	77.926316
"1113743"	221.977892	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2K+H"	78.933592
"1350006"	222.065507	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+DMSO+H"	79.021207
"1016470"	226.104676	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2ACN+H"	83.060376
"1538850"	227.098308	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+IsoProp+Na+H"	84.054008
"998858"	113.555976	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+2ACN+2H"	84.067652
"1595548"	228.012928	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+K+HCOOH"	84.968628
"1415380"	258.044438	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+H+CF3COOH"	115.000138
"1150408"	134.069251	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+3ACN+2H"	125.094202
"1698498"	275.070985	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+NH4+CF3COOH"	132.026685
"1645456"	280.02638	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+Na+CF3COOH"	136.98208
"1584386"	296.00032	"C13738"	"5-Tetrazolyl-glycine;Tet-glycine"	"C3H5N5O2"	"143.0443"	"M+K+CF3COOH"	152.95602
"815121"	172.0484	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M"	0
"988288"	153.03001	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-H2O-H"	-19.01839
"72155"	113.691657333333	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M-3H"	-3.021828
"514997"	171.041124	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M-3H"	-3.021828
"891710"	56.3421906666667	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-3H"	-3.021828
"8091"	171.041124	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M-2H"	-2.014552
"442188"	257.065324	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M-2H"	-2.014552
"827643"	85.016924	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-2H"	-2.014552
"89821"	343.089524	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M-H"	-1.007276
"528291"	515.137924	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M-H"	-1.007276
"908279"	171.041124	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-H"	-1.007276
"59370"	360.116071	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M-2H+NH4"	16.019271
"493464"	532.164471	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M-2H+NH4"	16.019271
"871265"	188.067671	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-2H+NH4"	16.019271
"45000"	365.071466	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M-2H+Na"	20.974666
"478728"	537.119866	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M-2H+Na"	20.974666
"849970"	193.023066	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-2H+Na"	20.974666
"1626066"	193.023066	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Na-2H"	20.974666
"103690"	189.029463	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M-H+Cl"	33.962126
"542159"	275.053663	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M-H+Cl"	33.962126
"939689"	103.005263	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-H+Cl"	33.962126
"274234"	379.066202	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+Cl"	34.969402
"669935"	551.114602	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+Cl"	34.969402
"1285259"	207.017802	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Cl"	34.969402
"28544"	381.045406	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M-2H+K"	36.948606
"466640"	553.093806	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M-2H+K"	36.948606
"846628"	208.997006	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-2H+K"	36.948606
"1568658"	208.997006	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+K-2H"	36.948606
"952532"	217.046594	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-H+HCOOH"	44.998194
"373663"	389.095001	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+HCOOH-H"	44.998201
"355723"	403.110651	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+Hac-H"	59.013851
"1501273"	231.062251	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Hac-H"	59.013851
"966627"	239.028551	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-H+NaCOOH"	66.980151
"112254"	207.017802	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+2Cl"	69.938804
"556195"	293.042002	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+2Cl"	69.938804
"1035940"	120.993602	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2Cl"	69.938804
"1256488"	250.967285	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Br"	78.918885
"1318571"	253.023272	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Cl+HCOOH"	80.974872
"1334002"	275.005229	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Cl+NaCOOH"	102.956829
"922870"	285.033986	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M-H+CF3COOH"	112.985586
"1301037"	321.010664	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Cl+CF3COOH"	148.962264
"1377011"	137.035724	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H-2H2O"	-35.012676
"1391227"	155.0457	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H-H2O"	-17.0027
"285810"	345.104076	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+H"	1.007276
"680053"	517.152476	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+H"	1.007276
"1356402"	173.055676	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H"	1.007276
"136588"	173.055676	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+2H"	2.014552
"577973"	259.079876	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+2H"	2.014552
"1046405"	87.031476	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2H"	2.014552
"215034"	115.706209333333	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+3H"	3.021828
"655687"	173.055676	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+3H"	3.021828
"1171992"	58.3567426666667	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+3H"	3.021828
"427609"	362.130623	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+NH4"	18.033823
"789698"	534.179023	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+NH4"	18.033823
"1684570"	190.082223	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+NH4"	18.033823
"332116"	181.5689495	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+H+NH4"	19.041099
"725998"	267.5931495	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+H+NH4"	19.041099
"1479093"	95.5447495	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H+NH4"	19.041099
"403611"	367.086018	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+Na"	22.989218
"762419"	539.134418	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+Na"	22.989218
"1605049"	195.037618	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Na"	22.989218
"315809"	184.046647	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+H+Na"	23.996494
"709324"	270.070847	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+H+Na"	23.996494
"1464602"	98.022447	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H+Na"	23.996494
"1057849"	65.6840566666667	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2H+Na"	25.00377
"1257571"	205.081886	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+CH3OH+H"	33.033486
"378820"	383.059958	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+K"	38.963158
"740190"	555.108358	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+K"	38.963158
"1540036"	211.011558	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+K"	38.963158
"300513"	192.033617	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+H+K"	39.970434
"691511"	278.057817	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+H+K"	39.970434
"1447119"	106.009417	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H+K"	39.970434
"236817"	386.130626	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+ACN+H"	42.033826
"1212811"	214.082226	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+ACN+H"	42.033826
"1198152"	107.544751	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+ACN+2H"	43.041102
"194674"	389.06796	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+2Na-H"	44.97116
"633140"	561.11636	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+2Na-H"	44.97116
"1136647"	217.01956	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2Na-H"	44.97116
"174592"	195.037618	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+2Na"	45.978436
"614750"	281.061818	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+2Na"	45.978436
"1117526"	109.013418	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2Na"	45.978436
"1399969"	73.0113706666667	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H+2Na"	46.985712
"1431233"	219.061146	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H+HCOOH"	47.012746
"220803"	200.07064	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+3H2O+2H"	56.04448
"1510198"	233.11319	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+IsoProp+H"	61.06479
"410978"	203.024588	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+Na+K"	61.952376
"771248"	289.048788	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+Na+K"	61.952376
"1666240"	117.000388	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Na+K"	61.952376
"252635"	408.112568	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+ACN+Na"	64.015768
"1238857"	236.064168	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+ACN+Na"	64.015768
"1725920"	236.087693	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+NH4+HCOOH"	64.039293
"1189815"	80.3386846666667	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+3Na"	68.967654
"1658977"	241.043088	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Na+HCOOH"	68.994688
"168024"	421.01584	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+2K-H"	76.91904
"610867"	593.06424	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+2K-H"	76.91904
"1099436"	248.96744	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2K-H"	76.91904
"153289"	211.011558	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"2M+2K"	77.926316
"592851"	297.035758	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"3M+2K"	77.926316
"1082831"	124.987358	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2K"	77.926316
"1115191"	250.981992	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2K+H"	78.933592
"1346959"	251.069607	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+DMSO+H"	79.021207
"1020232"	255.108776	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2ACN+H"	83.060376
"1538722"	256.102408	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+IsoProp+Na+H"	84.054008
"1001155"	128.058026	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+2ACN+2H"	84.067652
"1596753"	257.017028	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+K+HCOOH"	84.968628
"1415124"	287.048538	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+H+CF3COOH"	115.000138
"1147477"	148.571301	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+3ACN+2H"	125.094202
"1698973"	304.075085	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+NH4+CF3COOH"	132.026685
"1645566"	309.03048	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+Na+CF3COOH"	136.98208
"1584496"	325.00442	"C13739"	"(R)-AMAA;(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid"	"C6H8N2O4"	"172.0484"	"M+K+CF3COOH"	152.95602
"805020"	505.0165	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M"	0
"985114"	485.99811	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-H2O-H"	-19.01839
"73358"	335.670390666667	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M-3H"	-3.021828
"510732"	504.009224	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M-3H"	-3.021828
"892908"	167.331557333333	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-3H"	-3.021828
"3832"	504.009224	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M-2H"	-2.014552
"441567"	756.517474	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M-2H"	-2.014552
"826659"	251.500974	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-2H"	-2.014552
"88837"	1009.025724	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M-H"	-1.007276
"530586"	1514.042224	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M-H"	-1.007276
"908387"	504.009224	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-H"	-1.007276
"59480"	1026.052271	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M-2H+NH4"	16.019271
"492481"	1531.068771	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M-2H+NH4"	16.019271
"867001"	521.035771	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-2H+NH4"	16.019271
"35997"	1031.007666	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M-2H+Na"	20.974666
"476650"	1536.024166	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M-2H+Na"	20.974666
"850444"	525.991166	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-2H+Na"	20.974666
"1625082"	525.991166	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Na-2H"	20.974666
"103800"	521.997563	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M-H+Cl"	33.962126
"543363"	774.505813	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M-H+Cl"	33.962126
"938704"	269.489313	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-H+Cl"	33.962126
"274344"	1045.002402	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+Cl"	34.969402
"670044"	1550.018902	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+Cl"	34.969402
"1286097"	539.985902	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Cl"	34.969402
"29747"	1046.981606	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M-2H+K"	36.948606
"468937"	1551.998106	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M-2H+K"	36.948606
"847591"	541.965106	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-2H+K"	36.948606
"1570795"	541.965106	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+K-2H"	36.948606
"953371"	550.014694	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-H+HCOOH"	44.998194
"373773"	1055.031201	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+HCOOH-H"	44.998201
"356926"	1069.046851	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+Hac-H"	59.013851
"1502476"	564.030351	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Hac-H"	59.013851
"966737"	571.996651	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-H+NaCOOH"	66.980151
"114551"	539.985902	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+2Cl"	69.938804
"558491"	792.494152	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+2Cl"	69.938804
"1034953"	287.477652	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2Cl"	69.938804
"1250150"	583.935385	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Br"	78.918885
"1316608"	585.991372	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Cl+HCOOH"	80.974872
"1333377"	607.973329	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Cl+NaCOOH"	102.956829
"924436"	618.002086	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M-H+CF3COOH"	112.985586
"1300053"	653.978764	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Cl+CF3COOH"	148.962264
"1374934"	470.003824	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H-2H2O"	-35.012676
"1389150"	488.0138	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H-H2O"	-17.0027
"285917"	1011.040276	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+H"	1.007276
"679070"	1516.056776	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+H"	1.007276
"1357607"	506.023776	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H"	1.007276
"132685"	506.023776	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+2H"	2.014552
"576986"	758.532026	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+2H"	2.014552
"1046880"	253.515526	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2H"	2.014552
"212228"	337.684942666667	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+3H"	3.021828
"649602"	506.023776	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+3H"	3.021828
"1164811"	169.346109333333	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+3H"	3.021828
"427718"	1028.066823	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+NH4"	18.033823
"790902"	1533.083323	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+NH4"	18.033823
"1683223"	523.050323	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+NH4"	18.033823
"332956"	514.5370495	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+H+NH4"	19.041099
"727202"	767.0452995	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+H+NH4"	19.041099
"1479203"	262.0287995	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H+NH4"	19.041099
"403357"	1033.022218	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+Na"	22.989218
"763622"	1538.038718	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+Na"	22.989218
"1606252"	528.005718	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Na"	22.989218
"318107"	517.014747	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+H+Na"	23.996494
"708217"	769.522997	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+H+Na"	23.996494
"1465807"	264.506497	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H+Na"	23.996494
"1057958"	176.673423333333	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2H+Na"	25.00377
"1258175"	538.049986	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+CH3OH+H"	33.033486
"378202"	1048.996158	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+K"	38.963158
"742853"	1554.012658	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+K"	38.963158
"1541259"	543.979658	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+K"	38.963158
"302083"	525.001717	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+H+K"	39.970434
"692676"	777.509967	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+H+K"	39.970434
"1447957"	272.493467	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H+K"	39.970434
"237658"	1052.066826	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+ACN+H"	42.033826
"1216932"	547.050326	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+ACN+H"	42.033826
"1198628"	274.028801	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+ACN+2H"	43.041102
"194783"	1055.00416	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+2Na-H"	44.97116
"634343"	1560.02066	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+2Na-H"	44.97116
"1136757"	549.98766	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2Na-H"	44.97116
"174702"	528.005718	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+2Na"	45.978436
"614861"	780.513968	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+2Na"	45.978436
"1118001"	275.497468	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2Na"	45.978436
"1401172"	184.000737333333	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H+2Na"	46.985712
"1433287"	552.029246	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H+HCOOH"	47.012746
"220914"	533.03874	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+3H2O+2H"	56.04448
"1509946"	566.08129	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+IsoProp+H"	61.06479
"409510"	535.992688	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+Na+K"	61.952376
"770750"	788.500938	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+Na+K"	61.952376
"1666471"	283.484438	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Na+K"	61.952376
"253233"	1074.048768	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+ACN+Na"	64.015768
"1239331"	569.032268	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+ACN+Na"	64.015768
"1726030"	569.055793	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+NH4+HCOOH"	64.039293
"1191383"	191.328051333333	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+3Na"	68.967654
"1661273"	574.011188	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Na+HCOOH"	68.994688
"169228"	1086.95204	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+2K-H"	76.91904
"609885"	1591.96854	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+2K-H"	76.91904
"1099743"	581.93554	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2K-H"	76.91904
"154493"	543.979658	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"2M+2K"	77.926316
"592961"	796.487908	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"3M+2K"	77.926316
"1081848"	291.471408	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2K"	77.926316
"1113842"	583.950092	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2K+H"	78.933592
"1349256"	584.037707	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+DMSO+H"	79.021207
"1019979"	588.076876	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2ACN+H"	83.060376
"1539399"	589.070508	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+IsoProp+Na+H"	84.054008
"997983"	294.542076	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+2ACN+2H"	84.067652
"1596862"	589.985128	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+K+HCOOH"	84.968628
"1417059"	620.016638	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+H+CF3COOH"	115.000138
"1147590"	315.055351	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+3ACN+2H"	125.094202
"1699084"	637.043185	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+NH4+CF3COOH"	132.026685
"1646769"	641.99858	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+Na+CF3COOH"	136.98208
"1584606"	657.97252	"C13740"	"alphabeta-Methylene ATP"	"C11H18N5O12P3"	"505.0165"	"M+K+CF3COOH"	152.95602
"805130"	505.0165	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M"	0
"983038"	485.99811	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-H2O-H"	-19.01839
"73468"	335.670390666667	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M-3H"	-3.021828
"511935"	504.009224	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M-3H"	-3.021828
"894111"	167.331557333333	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-3H"	-3.021828
"3942"	504.009224	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M-2H"	-2.014552
"442408"	756.517474	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M-2H"	-2.014552
"824582"	251.500974	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-2H"	-2.014552
"85667"	1009.025724	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M-H"	-1.007276
"528510"	1514.042224	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M-H"	-1.007276
"906312"	504.009224	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-H"	-1.007276
"59590"	1026.052271	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M-2H+NH4"	16.019271
"493684"	1531.068771	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M-2H+NH4"	16.019271
"869298"	521.035771	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-2H+NH4"	16.019271
"39386"	1031.007666	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M-2H+Na"	20.974666
"474574"	1536.024166	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M-2H+Na"	20.974666
"851284"	525.991166	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-2H+Na"	20.974666
"1626285"	525.991166	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Na-2H"	20.974666
"97346"	521.997563	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M-H+Cl"	33.962126
"547846"	774.505813	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M-H+Cl"	33.962126
"939178"	269.489313	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-H+Cl"	33.962126
"277733"	1045.002402	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+Cl"	34.969402
"672341"	1550.018902	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+Cl"	34.969402
"1286206"	539.985902	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Cl"	34.969402
"30222"	1046.981606	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M-2H+K"	36.948606
"468319"	1551.998106	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M-2H+K"	36.948606
"848404"	541.965106	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-2H+K"	36.948606
"1570987"	541.965106	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+K-2H"	36.948606
"951658"	550.014694	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-H+HCOOH"	44.998194
"370966"	1055.031201	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+HCOOH-H"	44.998201
"357036"	1069.046851	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+Hac-H"	59.013851
"1502586"	564.030351	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Hac-H"	59.013851
"972072"	571.996651	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-H+NaCOOH"	66.980151
"115754"	539.985902	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+2Cl"	69.938804
"561881"	792.494152	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+2Cl"	69.938804
"1032869"	287.477652	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2Cl"	69.938804
"1252445"	583.935385	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Br"	78.918885
"1311613"	585.991372	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Cl+HCOOH"	80.974872
"1329112"	607.973329	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Cl+NaCOOH"	102.956829
"918346"	618.002086	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M-H+CF3COOH"	112.985586
"1300163"	653.978764	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Cl+CF3COOH"	148.962264
"1373951"	470.003824	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H-2H2O"	-35.012676
"1388167"	488.0138	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H-H2O"	-17.0027
"287849"	1011.040276	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+H"	1.007276
"679180"	1516.056776	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+H"	1.007276
"1355531"	506.023776	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H"	1.007276
"128417"	506.023776	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+2H"	2.014552
"570169"	758.532026	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+2H"	2.014552
"1044436"	253.515526	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2H"	2.014552
"212336"	337.684942666667	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+3H"	3.021828
"651898"	506.023776	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+3H"	3.021828
"1164555"	169.346109333333	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+3H"	3.021828
"427827"	1028.066823	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+NH4"	18.033823
"788456"	1533.083323	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+NH4"	18.033823
"1684424"	523.050323	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+NH4"	18.033823
"334886"	514.5370495	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+H+NH4"	19.041099
"725854"	767.0452995	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+H+NH4"	19.041099
"1480042"	262.0287995	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H+NH4"	19.041099
"400551"	1033.022218	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+Na"	22.989218
"757172"	1538.038718	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+Na"	22.989218
"1605268"	528.005718	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Na"	22.989218
"317489"	517.014747	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+H+Na"	23.996494
"709910"	769.522997	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+H+Na"	23.996494
"1465917"	264.506497	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H+Na"	23.996494
"1056973"	176.673423333333	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2H+Na"	25.00377
"1257548"	538.049986	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+CH3OH+H"	33.033486
"377702"	1048.996158	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+K"	38.963158
"741139"	1554.012658	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+K"	38.963158
"1542463"	543.979658	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+K"	38.963158
"302193"	525.001717	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+H+K"	39.970434
"694973"	777.509967	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+H+K"	39.970434
"1448066"	272.493467	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H+K"	39.970434
"239225"	1052.066826	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+ACN+H"	42.033826
"1218136"	547.050326	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+ACN+H"	42.033826
"1200925"	274.028801	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+ACN+2H"	43.041102
"197079"	1055.00416	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+2Na-H"	44.97116
"632265"	1560.02066	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+2Na-H"	44.97116
"1136867"	549.98766	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2Na-H"	44.97116
"175784"	528.005718	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+2Na"	45.978436
"615343"	780.513968	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+2Na"	45.978436
"1117744"	275.497468	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2Na"	45.978436
"1401282"	184.000737333333	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H+2Na"	46.985712
"1433397"	552.029246	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H+HCOOH"	47.012746
"221996"	533.03874	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+3H2O+2H"	56.04448
"1510058"	566.08129	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+IsoProp+H"	61.06479
"409497"	535.992688	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+Na+K"	61.952376
"771228"	788.500938	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+Na+K"	61.952376
"1666945"	283.484438	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Na+K"	61.952376
"252372"	1074.048768	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+ACN+Na"	64.015768
"1236524"	569.032268	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+ACN+Na"	64.015768
"1726140"	569.055793	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+NH4+HCOOH"	64.039293
"1188942"	191.328051333333	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+3Na"	68.967654
"1662112"	574.011188	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Na+HCOOH"	68.994688
"168246"	1086.95204	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+2K-H"	76.91904
"611817"	1591.96854	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+2K-H"	76.91904
"1095601"	581.93554	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2K-H"	76.91904
"154603"	543.979658	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"2M+2K"	77.926316
"589791"	796.487908	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"3M+2K"	77.926316
"1082565"	291.471408	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2K"	77.926316
"1112980"	583.950092	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2K+H"	78.933592
"1349366"	584.037707	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+DMSO+H"	79.021207
"1019361"	588.076876	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2ACN+H"	83.060376
"1538699"	589.070508	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+IsoProp+Na+H"	84.054008
"1000280"	294.542076	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+2ACN+2H"	84.067652
"1599159"	589.985128	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+K+HCOOH"	84.968628
"1416076"	620.016638	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+H+CF3COOH"	115.000138
"1150738"	315.055351	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+3ACN+2H"	125.094202
"1699194"	637.043185	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+NH4+CF3COOH"	132.026685
"1645786"	641.99858	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+Na+CF3COOH"	136.98208
"1584716"	657.97252	"C13741"	"betagamma-Methylene ATP;AMP-PCP"	"C11H18N5O12P3"	"505.0165"	"M+K+CF3COOH"	152.95602
"805240"	522.9729	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M"	0
"982054"	503.95451	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-H2O-H"	-19.01839
"73578"	347.641324	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M-3H"	-3.021828
"512045"	521.965624	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M-3H"	-3.021828
"895526"	173.317024	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-3H"	-3.021828
"5145"	521.965624	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M-2H"	-2.014552
"443609"	783.452074	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M-2H"	-2.014552
"821412"	260.479174	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-2H"	-2.014552
"87964"	1044.938524	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M-H"	-1.007276
"531899"	1567.911424	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M-H"	-1.007276
"906422"	521.965624	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-H"	-1.007276
"55326"	1061.965071	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M-2H+NH4"	16.019271
"498169"	1584.937971	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M-2H+NH4"	16.019271
"871596"	538.992171	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-2H+NH4"	16.019271
"41683"	1066.920466	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M-2H+Na"	20.974666
"474074"	1589.893366	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M-2H+Na"	20.974666
"850662"	543.947566	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-2H+Na"	20.974666
"1620928"	543.947566	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Na-2H"	20.974666
"97456"	539.953963	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M-H+Cl"	33.962126
"547956"	801.440413	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M-H+Cl"	33.962126
"937830"	278.467513	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-H+Cl"	33.962126
"278936"	1080.915202	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+Cl"	34.969402
"672450"	1603.888102	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+Cl"	34.969402
"1286317"	557.942302	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Cl"	34.969402
"29968"	1082.894406	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M-2H+K"	36.948606
"469889"	1605.867306	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M-2H+K"	36.948606
"848307"	559.921506	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-2H+K"	36.948606
"1569353"	559.921506	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+K-2H"	36.948606
"955778"	567.971094	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-H+HCOOH"	44.998194
"369983"	1090.944001	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+HCOOH-H"	44.998201
"357146"	1104.959651	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+Hac-H"	59.013851
"1505249"	581.986751	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Hac-H"	59.013851
"972790"	589.953051	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-H+NaCOOH"	66.980151
"115864"	557.942302	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+2Cl"	69.938804
"561991"	819.428752	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+2Cl"	69.938804
"1035166"	296.455852	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2Cl"	69.938804
"1253648"	601.891785	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Br"	78.918885
"1313910"	603.947772	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Cl+HCOOH"	80.974872
"1330681"	625.929729	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Cl+NaCOOH"	102.956829
"920279"	635.958486	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M-H+CF3COOH"	112.985586
"1299180"	671.935164	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Cl+CF3COOH"	148.962264
"1375154"	487.960224	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H-2H2O"	-35.012676
"1388277"	505.9702	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H-H2O"	-17.0027
"287960"	1046.953076	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+H"	1.007276
"681111"	1569.925976	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+H"	1.007276
"1356369"	523.980176	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H"	1.007276
"128891"	523.980176	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+2H"	2.014552
"576840"	785.466626	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+2H"	2.014552
"1043452"	262.493726	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2H"	2.014552
"214633"	349.655876	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+3H"	3.021828
"650914"	523.980176	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+3H"	3.021828
"1163937"	175.331576	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+3H"	3.021828
"427207"	1063.979623	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+NH4"	18.033823
"787471"	1586.952523	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+NH4"	18.033823
"1682466"	541.006723	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+NH4"	18.033823
"331472"	532.4934495	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+H+NH4"	19.041099
"724505"	793.9798995	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+H+NH4"	19.041099
"1480518"	271.0069995	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H+NH4"	19.041099
"400661"	1068.935018	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+Na"	22.989218
"762748"	1591.907918	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+Na"	22.989218
"1604282"	545.962118	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Na"	22.989218
"316870"	534.971147	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+H+Na"	23.996494
"707710"	796.457597	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+H+Na"	23.996494
"1464934"	273.484697	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H+Na"	23.996494
"1056719"	182.65889	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2H+Na"	25.00377
"1257370"	556.006386	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+CH3OH+H"	33.033486
"377210"	1084.908958	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+K"	38.963158
"742708"	1607.881858	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+K"	38.963158
"1541844"	561.936058	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+K"	38.963158
"301575"	542.958117	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+H+K"	39.970434
"692898"	804.444567	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+H+K"	39.970434
"1447815"	281.471667	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H+K"	39.970434
"238241"	1087.979626	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+ACN+H"	42.033826
"1217153"	565.006726	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+ACN+H"	42.033826
"1199942"	283.007001	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+ACN+2H"	43.041102
"197189"	1090.91696	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+2Na-H"	44.97116
"637843"	1613.88986	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+2Na-H"	44.97116
"1138070"	567.94406	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2Na-H"	44.97116
"179175"	545.962118	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+2Na"	45.978436
"616548"	807.448568	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+2Na"	45.978436
"1117374"	284.475668	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2Na"	45.978436
"1401390"	189.986204	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H+2Na"	46.985712
"1430951"	569.985646	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H+HCOOH"	47.012746
"221376"	550.99514	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+3H2O+2H"	56.04448
"1509433"	584.03769	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+IsoProp+H"	61.06479
"409119"	553.949088	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+Na+K"	61.952376
"771218"	815.435538	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+Na+K"	61.952376
"1667418"	292.462638	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Na+K"	61.952376
"251994"	1109.961568	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+ACN+Na"	64.015768
"1237727"	586.988668	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+ACN+Na"	64.015768
"1724791"	587.012193	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+NH4+HCOOH"	64.039293
"1190145"	197.313518	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+3Na"	68.967654
"1662586"	591.967588	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Na+HCOOH"	68.994688
"170786"	1122.86484	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+2K-H"	76.91904
"612290"	1645.83774	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+2K-H"	76.91904
"1098991"	599.89194	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2K-H"	76.91904
"156543"	561.936058	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"2M+2K"	77.926316
"596219"	823.422508	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"3M+2K"	77.926316
"1083411"	300.449608	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2K"	77.926316
"1113090"	601.906492	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2K+H"	78.933592
"1350451"	601.994107	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+DMSO+H"	79.021207
"1019834"	606.033276	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2ACN+H"	83.060376
"1538931"	607.026908	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+IsoProp+Na+H"	84.054008
"1002577"	303.520276	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+2ACN+2H"	84.067652
"1602428"	607.941528	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+K+HCOOH"	84.968628
"1424930"	637.973038	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+H+CF3COOH"	115.000138
"1149753"	324.033551	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+3ACN+2H"	125.094202
"1704769"	654.999585	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+NH4+CF3COOH"	132.026685
"1645896"	659.95498	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+Na+CF3COOH"	136.98208
"1584826"	675.92892	"C13742"	"Adenosine 5-O-(3-thiotriphophate);ATP-gamma-S;Adenosine 5-(gamma-thio)triphosphate"	"C10H16N5O12P3S"	"522.9729"	"M+K+CF3COOH"	152.95602
"805350"	443.0066	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M"	0
"983258"	423.98821	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-H2O-H"	-19.01839
"73688"	294.330457333333	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M-3H"	-3.021828
"511062"	441.999324	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M-3H"	-3.021828
"895514"	146.661590666667	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-3H"	-3.021828
"8536"	441.999324	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M-2H"	-2.014552
"452472"	663.502624	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M-2H"	-2.014552
"828085"	220.496024	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-2H"	-2.014552
"90263"	885.005924	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M-H"	-1.007276
"533833"	1328.012524	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M-H"	-1.007276
"908726"	441.999324	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-H"	-1.007276
"55435"	902.032471	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M-2H+NH4"	16.019271
"498277"	1345.039071	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M-2H+NH4"	16.019271
"876080"	459.025871	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-2H+NH4"	16.019271
"40700"	906.987866	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M-2H+Na"	20.974666
"472601"	1349.994466	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M-2H+Na"	20.974666
"850773"	463.981266	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-2H+Na"	20.974666
"1623225"	463.981266	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Na-2H"	20.974666
"97566"	459.987663	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M-H+Cl"	33.962126
"546972"	681.490963	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M-H+Cl"	33.962126
"939764"	238.484363	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-H+Cl"	33.962126
"278319"	920.982602	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+Cl"	34.969402
"671835"	1363.989202	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+Cl"	34.969402
"1286057"	477.976002	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Cl"	34.969402
"30077"	922.961806	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M-2H+K"	36.948606
"470732"	1365.968406	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M-2H+K"	36.948606
"847924"	479.955206	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-2H+K"	36.948606
"1570925"	479.955206	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+K-2H"	36.948606
"956254"	488.004794	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-H+HCOOH"	44.998194
"373009"	931.011401	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+HCOOH-H"	44.998201
"357257"	945.027051	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+Hac-H"	59.013851
"1505359"	502.020451	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Hac-H"	59.013851
"971077"	509.986751	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-H+NaCOOH"	66.980151
"112694"	477.976002	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+2Cl"	69.938804
"561008"	699.479302	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+2Cl"	69.938804
"1034183"	256.472702	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2Cl"	69.938804
"1252665"	521.925485	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Br"	78.918885
"1310741"	523.981472	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Cl+HCOOH"	80.974872
"1329329"	545.963429	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Cl+NaCOOH"	102.956829
"919296"	555.992186	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M-H+CF3COOH"	112.985586
"1298926"	591.968864	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Cl+CF3COOH"	148.962264
"1374171"	407.993924	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H-2H2O"	-35.012676
"1390574"	426.0039	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H-H2O"	-17.0027
"288070"	887.020476	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+H"	1.007276
"680128"	1330.027076	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+H"	1.007276
"1356115"	444.013876	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H"	1.007276
"127908"	444.013876	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+2H"	2.014552
"575857"	665.517176	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+2H"	2.014552
"1042469"	222.510576	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2H"	2.014552
"212557"	296.345009333333	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+3H"	3.021828
"645558"	444.013876	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+3H"	3.021828
"1162994"	148.676142666667	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+3H"	3.021828
"424521"	904.047023	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+NH4"	18.033823
"786125"	1347.053623	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+NH4"	18.033823
"1681644"	461.040423	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+NH4"	18.033823
"330853"	452.5271495	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+H+NH4"	19.041099
"724615"	674.0304495	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+H+NH4"	19.041099
"1480993"	231.0238495	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H+NH4"	19.041099
"400771"	909.002418	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+Na"	22.989218
"759579"	1352.009018	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+Na"	22.989218
"1603785"	465.995818	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Na"	22.989218
"316617"	455.004847	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+H+Na"	23.996494
"707819"	676.508147	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+H+Na"	23.996494
"1463951"	233.501547	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H+Na"	23.996494
"1055007"	156.003456666667	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2H+Na"	25.00377
"1257282"	476.040086	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+CH3OH+H"	33.033486
"377393"	924.976358	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+K"	38.963158
"739902"	1367.982958	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+K"	38.963158
"1541589"	481.969758	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+K"	38.963158
"299862"	462.991817	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+H+K"	39.970434
"692032"	684.495117	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+H+K"	39.970434
"1446829"	241.488517	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H+K"	39.970434
"236279"	928.047026	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+ACN+H"	42.033826
"1217263"	485.040426	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+ACN+H"	42.033826
"1198959"	243.023851	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+ACN+2H"	43.041102
"190373"	930.98436	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+2Na-H"	44.97116
"630297"	1373.99096	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+2Na-H"	44.97116
"1137087"	487.97776	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2Na-H"	44.97116
"174302"	465.995818	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+2Na"	45.978436
"613011"	687.499118	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+2Na"	45.978436
"1115778"	244.492518	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2Na"	45.978436
"1398562"	163.330770666667	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H+2Na"	46.985712
"1429914"	490.019346	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H+HCOOH"	47.012746
"220214"	471.02884	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+3H2O+2H"	56.04448
"1508685"	504.07139	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+IsoProp+H"	61.06479
"408642"	473.982788	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+Na+K"	61.952376
"770598"	695.486088	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+Na+K"	61.952376
"1666066"	252.479488	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Na+K"	61.952376
"251633"	950.028968	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+ACN+Na"	64.015768
"1234185"	507.022368	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+ACN+Na"	64.015768
"1727088"	507.045893	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+NH4+HCOOH"	64.039293
"1192807"	170.658084666667	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+3Na"	68.967654
"1662696"	512.001288	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Na+HCOOH"	68.994688
"168463"	962.93224	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+2K-H"	76.91904
"611308"	1405.93884	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+2K-H"	76.91904
"1099548"	519.92564	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2K-H"	76.91904
"156934"	481.969758	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"2M+2K"	77.926316
"596699"	703.473058	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"3M+2K"	77.926316
"1083271"	260.466458	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2K"	77.926316
"1113200"	521.940192	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2K+H"	78.933592
"1350441"	522.027807	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+DMSO+H"	79.021207
"1020793"	526.066976	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2ACN+H"	83.060376
"1539284"	527.060608	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+IsoProp+Na+H"	84.054008
"1005487"	263.537126	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+2ACN+2H"	84.067652
"1602296"	527.975228	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+K+HCOOH"	84.968628
"1429292"	558.006738	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+H+CF3COOH"	115.000138
"1153143"	284.050401	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+3ACN+2H"	125.094202
"1704879"	575.033285	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+NH4+CF3COOH"	132.026685
"1648193"	579.98868	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+Na+CF3COOH"	136.98208
"1584936"	595.96262	"C13743"	"Adenosine 5-O-(3-thiodiphophate);ADP-gamma-S"	"C10H15N5O9P2S"	"443.0066"	"M+K+CF3COOH"	152.95602
"805460"	715.0482	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M"	0
"982273"	696.02981	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-H2O-H"	-19.01839
"71610"	475.691524	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M-3H"	-3.021828
"511172"	714.040924	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M-3H"	-3.021828
"895535"	237.342124	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-3H"	-3.021828
"13748"	714.040924	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M-2H"	-2.014552
"443105"	1071.565024	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M-2H"	-2.014552
"826008"	356.516824	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-2H"	-2.014552
"91471"	1429.089124	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M-H"	-1.007276
"531759"	2144.137324	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M-H"	-1.007276
"909560"	714.040924	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-H"	-1.007276
"60901"	1446.115671	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M-2H+NH4"	16.019271
"501548"	2161.163871	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M-2H+NH4"	16.019271
"874004"	731.067471	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-2H+NH4"	16.019271
"34614"	1451.071066	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M-2H+Na"	20.974666
"474905"	2166.119266	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M-2H+Na"	20.974666
"848898"	736.022866	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-2H+Na"	20.974666
"1623335"	736.022866	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Na-2H"	20.974666
"97676"	732.029263	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M-H+Cl"	33.962126
"545989"	1089.553363	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M-H+Cl"	33.962126
"941699"	374.505163	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-H+Cl"	33.962126
"282486"	1465.065802	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+Cl"	34.969402
"672310"	2180.114002	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+Cl"	34.969402
"1284710"	750.017602	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Cl"	34.969402
"29823"	1467.045006	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M-2H+K"	36.948606
"470478"	2182.093206	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M-2H+K"	36.948606
"847064"	751.996806	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-2H+K"	36.948606
"1569821"	751.996806	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+K-2H"	36.948606
"956362"	760.046394	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-H+HCOOH"	44.998194
"373489"	1475.094601	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+HCOOH-H"	44.998201
"359557"	1489.110251	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+Hac-H"	59.013851
"1504015"	774.062051	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Hac-H"	59.013851
"963900"	782.028351	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-H+NaCOOH"	66.980151
"115359"	750.017602	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+2Cl"	69.938804
"561118"	1107.541702	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+2Cl"	69.938804
"1035391"	392.493502	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2Cl"	69.938804
"1253873"	793.967085	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Br"	78.918885
"1318873"	796.023072	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Cl+HCOOH"	80.974872
"1330172"	818.005029	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Cl+NaCOOH"	102.956829
"919406"	828.033786	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M-H+CF3COOH"	112.985586
"1299400"	864.010464	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Cl+CF3COOH"	148.962264
"1374281"	680.035524	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H-2H2O"	-35.012676
"1390684"	698.0455	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H-H2O"	-17.0027
"287087"	1431.103676	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+H"	1.007276
"677688"	2146.151876	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+H"	1.007276
"1355861"	716.055476	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H"	1.007276
"128018"	716.055476	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+2H"	2.014552
"569402"	1073.579576	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+2H"	2.014552
"1039659"	358.531376	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2H"	2.014552
"206104"	477.706076	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+3H"	3.021828
"646396"	716.055476	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+3H"	3.021828
"1163792"	239.356676	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+3H"	3.021828
"425240"	1448.130223	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+NH4"	18.033823
"787690"	2163.178423	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+NH4"	18.033823
"1682198"	733.082023	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+NH4"	18.033823
"331934"	724.5687495	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+H+NH4"	19.041099
"722976"	1082.0928495	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+H+NH4"	19.041099
"1478187"	367.0446495	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H+NH4"	19.041099
"404161"	1453.085618	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+Na"	22.989218
"762969"	2168.133818	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+Na"	22.989218
"1605597"	738.037418	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Na"	22.989218
"316727"	727.046447	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+H+Na"	23.996494
"710241"	1084.570547	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+H+Na"	23.996494
"1466248"	369.522347	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H+Na"	23.996494
"1055117"	246.68399	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2H+Na"	25.00377
"1257265"	748.081686	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+CH3OH+H"	33.033486
"377501"	1469.059558	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+K"	38.963158
"740740"	2184.107758	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+K"	38.963158
"1543157"	754.011358	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+K"	38.963158
"300089"	735.033417	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+H+K"	39.970434
"691734"	1092.557517	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+H+K"	39.970434
"1445729"	377.509317	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H+K"	39.970434
"236147"	1472.130226	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+ACN+H"	42.033826
"1217373"	757.082026	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+ACN+H"	42.033826
"1199069"	379.044651	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+ACN+2H"	43.041102
"191575"	1475.06756	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+2Na-H"	44.97116
"631867"	2190.11576	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+2Na-H"	44.97116
"1137199"	760.01936	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2Na-H"	44.97116
"173928"	738.037418	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+2Na"	45.978436
"614213"	1095.561518	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+2Na"	45.978436
"1115926"	380.513318	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2Na"	45.978436
"1398607"	254.011304	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H+2Na"	46.985712
"1430680"	762.060946	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H+HCOOH"	47.012746
"220121"	743.07044	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+3H2O+2H"	56.04448
"1508873"	776.11299	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+IsoProp+H"	61.06479
"408840"	746.024388	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+Na+K"	61.952376
"770585"	1103.548488	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+Na+K"	61.952376
"1665816"	388.500288	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Na+K"	61.952376
"252339"	1494.112168	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+ACN+Na"	64.015768
"1233202"	779.063968	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+ACN+Na"	64.015768
"1717715"	779.087493	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+NH4+HCOOH"	64.039293
"1191456"	261.338618	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+3Na"	68.967654
"1662445"	784.042888	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Na+HCOOH"	68.994688
"169671"	1507.01544	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+2K-H"	76.91904
"608138"	2222.06364	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+2K-H"	76.91904
"1097024"	791.96724	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2K-H"	76.91904
"156027"	754.011358	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"2M+2K"	77.926316
"597072"	1111.535458	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"3M+2K"	77.926316
"1084072"	396.487258	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2K"	77.926316
"1115014"	793.981792	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2K+H"	78.933592
"1350307"	794.069407	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+DMSO+H"	79.021207
"1017138"	798.108576	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2ACN+H"	83.060376
"1539637"	799.102208	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+IsoProp+Na+H"	84.054008
"1002804"	399.557926	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+2ACN+2H"	84.067652
"1600584"	800.016828	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+K+HCOOH"	84.968628
"1429483"	830.048338	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+H+CF3COOH"	115.000138
"1151068"	420.071201	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+3ACN+2H"	125.094202
"1700620"	847.074885	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+NH4+CF3COOH"	132.026685
"1640648"	852.03028	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+Na+CF3COOH"	136.98208
"1585046"	868.00422	"C13744"	"3-O-(4-Benzoyl)benzoyl ATP;BzATP"	"C24H24N5O15P3"	"715.0482"	"M+K+CF3COOH"	152.95602
"805570"	510.9757	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M"	0
"981289"	491.95731	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-H2O-H"	-19.01839
"71719"	339.643190666667	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M-3H"	-3.021828
"515655"	509.968424	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M-3H"	-3.021828
"890177"	169.317957333333	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-3H"	-3.021828
"13858"	509.968424	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M-2H"	-2.014552
"450505"	765.456274	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M-2H"	-2.014552
"826118"	254.480574	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-2H"	-2.014552
"88296"	1020.944124	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M-H"	-1.007276
"528950"	1531.919824	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M-H"	-1.007276
"906753"	509.968424	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-H"	-1.007276
"58939"	1037.970671	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M-2H+NH4"	16.019271
"500322"	1548.946371	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M-2H+NH4"	16.019271
"871927"	526.994971	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-2H+NH4"	16.019271
"33268"	1042.926066	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M-2H+Na"	20.974666
"471569"	1553.901766	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M-2H+Na"	20.974666
"848766"	531.950366	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-2H+Na"	20.974666
"1622352"	531.950366	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Na-2H"	20.974666
"98880"	527.956763	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M-H+Cl"	33.962126
"545006"	783.444613	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M-H+Cl"	33.962126
"942304"	272.468913	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-H+Cl"	33.962126
"282316"	1056.920802	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+Cl"	34.969402
"672784"	1567.896502	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+Cl"	34.969402
"1284821"	545.945102	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Cl"	34.969402
"29205"	1058.900006	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M-2H+K"	36.948606
"471196"	1569.875706	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M-2H+K"	36.948606
"846202"	547.924306	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-2H+K"	36.948606
"1570542"	547.924306	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+K-2H"	36.948606
"955379"	555.973894	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-H+HCOOH"	44.998194
"375426"	1066.949601	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+HCOOH-H"	44.998201
"358209"	1080.965251	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+Hac-H"	59.013851
"1504125"	569.989551	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Hac-H"	59.013851
"965103"	577.955851	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-H+NaCOOH"	66.980151
"116198"	545.945102	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+2Cl"	69.938804
"560135"	801.432952	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+2Cl"	69.938804
"1034407"	290.457252	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2Cl"	69.938804
"1253254"	589.894585	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Br"	78.918885
"1316432"	591.950572	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Cl+HCOOH"	80.974872
"1327366"	613.932529	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Cl+NaCOOH"	102.956829
"921703"	623.961286	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M-H+CF3COOH"	112.985586
"1299145"	659.937964	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Cl+CF3COOH"	148.962264
"1376577"	475.963024	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H-2H2O"	-35.012676
"1388606"	493.973	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H-H2O"	-17.0027
"289385"	1022.958676	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+H"	1.007276
"678526"	1533.934376	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+H"	1.007276
"1355971"	511.982976	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H"	1.007276
"128857"	511.982976	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+2H"	2.014552
"570605"	767.470826	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+2H"	2.014552
"1040499"	256.495126	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2H"	2.014552
"208397"	341.657742666667	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+3H"	3.021828
"647234"	511.982976	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+3H"	3.021828
"1163536"	171.332509333333	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+3H"	3.021828
"425837"	1039.985223	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+NH4"	18.033823
"787435"	1550.960923	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+NH4"	18.033823
"1682794"	529.009523	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+NH4"	18.033823
"332407"	520.4962495	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+H+NH4"	19.041099
"723740"	775.9840995	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+H+NH4"	19.041099
"1477685"	265.0083995	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H+NH4"	19.041099
"402084"	1044.940618	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+Na"	22.989218
"763079"	1555.916318	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+Na"	22.989218
"1604614"	533.964918	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Na"	22.989218
"316107"	522.973947	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+H+Na"	23.996494
"709258"	778.461797	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+H+Na"	23.996494
"1464171"	267.486097	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H+Na"	23.996494
"1055227"	178.659823333333	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2H+Na"	25.00377
"1257992"	544.009186	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+CH3OH+H"	33.033486
"377653"	1060.914558	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+K"	38.963158
"745225"	1571.890258	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+K"	38.963158
"1543266"	549.938858	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+K"	38.963158
"300441"	530.960917	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+H+K"	39.970434
"692129"	786.448767	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+H+K"	39.970434
"1445826"	275.473067	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H+K"	39.970434
"237474"	1063.985226	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+ACN+H"	42.033826
"1216390"	553.009526	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+ACN+H"	42.033826
"1200272"	277.008401	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+ACN+2H"	43.041102
"192051"	1066.92256	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+2Na-H"	44.97116
"632341"	1577.89826	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+2Na-H"	44.97116
"1140589"	555.94686	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2Na-H"	44.97116
"174402"	533.964918	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+2Na"	45.978436
"613392"	789.452768	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+2Na"	45.978436
"1117091"	278.477068	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2Na"	45.978436
"1398879"	185.987137333333	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H+2Na"	46.985712
"1430552"	557.988446	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H+HCOOH"	47.012746
"220525"	538.99794	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+3H2O+2H"	56.04448
"1509396"	572.04049	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+IsoProp+H"	61.06479
"410176"	541.951888	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+Na+K"	61.952376
"770157"	797.439738	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+Na+K"	61.952376
"1666770"	286.464038	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Na+K"	61.952376
"251915"	1085.967168	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+ACN+Na"	64.015768
"1231125"	574.991468	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+ACN+Na"	64.015768
"1717094"	575.014993	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+NH4+HCOOH"	64.039293
"1184271"	193.314451333333	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+3Na"	68.967654
"1663526"	579.970388	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Na+HCOOH"	68.994688
"170871"	1098.87044	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+2K-H"	76.91904
"608244"	1609.84614	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+2K-H"	76.91904
"1098223"	587.89474	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2K-H"	76.91904
"155528"	549.938858	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"2M+2K"	77.926316
"595090"	805.426708	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"3M+2K"	77.926316
"1082030"	294.451008	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2K"	77.926316
"1114397"	589.909292	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2K+H"	78.933592
"1349810"	589.996907	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+DMSO+H"	79.021207
"1020282"	594.036076	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2ACN+H"	83.060376
"1538775"	595.029708	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+IsoProp+Na+H"	84.054008
"1004005"	297.521676	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+2ACN+2H"	84.067652
"1596319"	595.944328	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+K+HCOOH"	84.968628
"1426353"	625.975838	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+H+CF3COOH"	115.000138
"1150085"	318.034951	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+3ACN+2H"	125.094202
"1700730"	643.002385	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+NH4+CF3COOH"	132.026685
"1640758"	647.95778	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+Na+CF3COOH"	136.98208
"1585156"	663.93172	"C13745"	"Pyridoxalphosphate-6-azophenyl-24-disulfonic acid;PPADS"	"C14H14N3O12PS2"	"510.9757"	"M+K+CF3COOH"	152.95602
"812242"	773.0071	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M"	0
"984681"	753.98871	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-H2O-H"	-19.01839
"72924"	514.330790666667	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M-3H"	-3.021828
"515766"	771.999824	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M-3H"	-3.021828
"893568"	256.661757333333	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-3H"	-3.021828
"14333"	771.999824	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H"	-2.014552
"451706"	1158.503374	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H"	-2.014552
"829513"	385.496274	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-2H"	-2.014552
"91934"	1545.006924	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M-H"	-1.007276
"531613"	2318.014024	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M-H"	-1.007276
"908570"	771.999824	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-H"	-1.007276
"57956"	1562.033471	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H+NH4"	16.019271
"500432"	2335.040571	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H+NH4"	16.019271
"865472"	789.026371	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-2H+NH4"	16.019271
"32885"	1566.988866	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H+Na"	20.974666
"474033"	2339.995966	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H+Na"	20.974666
"852929"	793.981766	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-2H+Na"	20.974666
"1620275"	793.981766	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Na-2H"	20.974666
"95710"	789.988163	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M-H+Cl"	33.962126
"545116"	1176.491713	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M-H+Cl"	33.962126
"942299"	403.484613	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-H+Cl"	33.962126
"281949"	1580.983602	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+Cl"	34.969402
"674844"	2353.990702	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+Cl"	34.969402
"1287122"	807.976502	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl"	34.969402
"30658"	1582.962806	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H+K"	36.948606
"471072"	2355.969906	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H+K"	36.948606
"847535"	809.955706	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-2H+K"	36.948606
"1570410"	809.955706	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+K-2H"	36.948606
"957312"	818.005294	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-H+HCOOH"	44.998194
"376150"	1591.012401	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+HCOOH-H"	44.998201
"358687"	1605.028051	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+Hac-H"	59.013851
"1503871"	832.020951	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Hac-H"	59.013851
"968495"	839.987251	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-H+NaCOOH"	66.980151
"116308"	807.976502	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+2Cl"	69.938804
"559152"	1194.480052	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+2Cl"	69.938804
"1036102"	421.472952	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2Cl"	69.938804
"1255188"	851.925985	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Br"	78.918885
"1313258"	853.981972	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl+HCOOH"	80.974872
"1328567"	875.963929	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl+NaCOOH"	102.956829
"917438"	885.992686	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M-H+CF3COOH"	112.985586
"1301443"	921.969364	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl+CF3COOH"	148.962264
"1375594"	737.994424	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H-2H2O"	-35.012676
"1390904"	756.0044	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H-H2O"	-17.0027
"288402"	1547.021476	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+H"	1.007276
"683012"	2320.028576	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+H"	1.007276
"1363373"	774.014376	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H"	1.007276
"131156"	774.014376	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+2H"	2.014552
"570715"	1160.517926	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+2H"	2.014552
"1040243"	387.510826	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2H"	2.014552
"209599"	516.345342666667	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+3H"	3.021828
"645034"	774.014376	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+3H"	3.021828
"1170575"	258.676309333333	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+3H"	3.021828
"424526"	1564.048023	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+NH4"	18.033823
"786577"	2337.055123	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+NH4"	18.033823
"1682176"	791.040923	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+NH4"	18.033823
"331426"	782.5276495	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+H+NH4"	19.041099
"726406"	1169.0311995	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+H+NH4"	19.041099
"1478039"	396.0240995	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H+NH4"	19.041099
"401102"	1569.003418	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+Na"	22.989218
"763190"	2342.010518	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+Na"	22.989218
"1610193"	795.996318	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Na"	22.989218
"316948"	785.005347	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+H+Na"	23.996494
"711555"	1171.508897	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+H+Na"	23.996494
"1464645"	398.501797	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H+Na"	23.996494
"1054609"	266.003623333333	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2H+Na"	25.00377
"1258471"	806.040586	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+CH3OH+H"	33.033486
"377644"	1584.977358	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+K"	38.963158
"742419"	2357.984458	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+K"	38.963158
"1541555"	811.970258	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+K"	38.963158
"300191"	792.992317	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+H+K"	39.970434
"692970"	1179.495867	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+H+K"	39.970434
"1446302"	406.488767	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H+K"	39.970434
"237213"	1588.048026	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+ACN+H"	42.033826
"1215405"	815.040926	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+ACN+H"	42.033826
"1202570"	408.024101	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+ACN+2H"	43.041102
"196537"	1590.98536	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+2Na-H"	44.97116
"636098"	2363.99246	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+2Na-H"	44.97116
"1141792"	817.97826	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2Na-H"	44.97116
"178522"	795.996318	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+2Na"	45.978436
"616988"	1182.499868	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+2Na"	45.978436
"1116355"	409.492768	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2Na"	45.978436
"1406207"	273.330937333333	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H+2Na"	46.985712
"1435041"	820.019846	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H+HCOOH"	47.012746
"224737"	801.02934	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+3H2O+2H"	56.04448
"1509881"	834.07189	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+IsoProp+H"	61.06479
"408952"	803.983288	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+Na+K"	61.952376
"772388"	1190.486838	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+Na+K"	61.952376
"1666276"	417.479738	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Na+K"	61.952376
"251995"	1610.029968	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+ACN+Na"	64.015768
"1231964"	837.022868	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+ACN+Na"	64.015768
"1719757"	837.046393	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+NH4+HCOOH"	64.039293
"1184383"	280.658251333333	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+3Na"	68.967654
"1659745"	842.001788	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Na+HCOOH"	68.994688
"164418"	1622.93324	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+2K-H"	76.91904
"608354"	2395.94034	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+2K-H"	76.91904
"1098092"	849.92614	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2K-H"	76.91904
"151868"	811.970258	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"2M+2K"	77.926316
"596374"	1198.473808	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"3M+2K"	77.926316
"1082502"	425.466708	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2K"	77.926316
"1113532"	851.940692	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2K+H"	78.933592
"1349919"	852.028307	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+DMSO+H"	79.021207
"1018448"	856.067476	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2ACN+H"	83.060376
"1538033"	857.061108	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+IsoProp+Na+H"	84.054008
"1003994"	428.537376	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+2ACN+2H"	84.067652
"1595336"	857.975728	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+K+HCOOH"	84.968628
"1424276"	888.007238	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+H+CF3COOH"	115.000138
"1150195"	449.050651	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+3ACN+2H"	125.094202
"1700840"	905.033785	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+NH4+CF3COOH"	132.026685
"1640868"	909.98918	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+Na+CF3COOH"	136.98208
"1585266"	925.96312	"C13746"	"Reactive blue 2"	"C29H20ClN7O11S3"	"773.0071"	"M+K+CF3COOH"	152.95602
"805790"	180.0647	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M"	0
"980416"	161.04631	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-H2O-H"	-19.01839
"71940"	119.035857333333	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M-3H"	-3.021828
"514782"	179.057424	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M-3H"	-3.021828
"889304"	59.0142906666667	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-3H"	-3.021828
"11162"	179.057424	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H"	-2.014552
"448534"	269.089774	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H"	-2.014552
"826338"	89.025074	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-2H"	-2.014552
"90703"	359.122124	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M-H"	-1.007276
"525890"	539.186824	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M-H"	-1.007276
"906972"	179.057424	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-H"	-1.007276
"52596"	376.148671	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+NH4"	16.019271
"496532"	556.213371	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+NH4"	16.019271
"864852"	196.083971	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+NH4"	16.019271
"31905"	381.104066	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+Na"	20.974666
"471790"	561.168766	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+Na"	20.974666
"849148"	201.039366	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+Na"	20.974666
"1621478"	201.039366	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Na-2H"	20.974666
"94968"	197.045763	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M-H+Cl"	33.962126
"545954"	287.078113	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M-H+Cl"	33.962126
"942285"	107.013413	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-H+Cl"	33.962126
"282502"	395.098802	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+Cl"	34.969402
"675199"	575.163502	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+Cl"	34.969402
"1288203"	215.034102	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl"	34.969402
"30890"	397.078006	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M-2H+K"	36.948606
"470456"	577.142706	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M-2H+K"	36.948606
"848266"	217.013306	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-2H+K"	36.948606
"1571224"	217.013306	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+K-2H"	36.948606
"957990"	225.062894	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-H+HCOOH"	44.998194
"376743"	405.127601	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+HCOOH-H"	44.998201
"359890"	419.143251	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+Hac-H"	59.013851
"1502157"	239.078551	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Hac-H"	59.013851
"970791"	247.044851	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-H+NaCOOH"	66.980151
"117511"	215.034102	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Cl"	69.938804
"560355"	305.066452	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Cl"	69.938804
"1035966"	125.001752	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2Cl"	69.938804
"1255298"	258.983585	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Br"	78.918885
"1314461"	261.039572	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+HCOOH"	80.974872
"1329772"	283.021529	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+NaCOOH"	102.956829
"920830"	293.050286	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M-H+CF3COOH"	112.985586
"1300823"	329.026964	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Cl+CF3COOH"	148.962264
"1374611"	145.052024	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H-2H2O"	-35.012676
"1391014"	163.062	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H-H2O"	-17.0027
"288511"	361.136676	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+H"	1.007276
"682029"	541.201376	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+H"	1.007276
"1362754"	181.071976	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H"	1.007276
"130173"	181.071976	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+2H"	2.014552
"569732"	271.104326	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+2H"	2.014552
"1039624"	91.039626	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2H"	2.014552
"207888"	121.050409333333	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+3H"	3.021828
"644537"	181.071976	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+3H"	3.021828
"1170685"	61.0288426666667	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+3H"	3.021828
"424266"	378.163223	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+NH4"	18.033823
"785877"	558.227923	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+NH4"	18.033823
"1681802"	198.098523	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4"	18.033823
"330444"	189.5852495	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+NH4"	19.041099
"726516"	279.6175995	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+NH4"	19.041099
"1477135"	99.5528995	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H+NH4"	19.041099
"401212"	383.118618	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+Na"	22.989218
"763300"	563.183318	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+Na"	22.989218
"1611396"	203.053918	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Na"	22.989218
"316693"	192.062947	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+Na"	23.996494
"710207"	282.095297	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+Na"	23.996494
"1464026"	102.030597	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H+Na"	23.996494
"1054355"	68.3561566666667	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2H+Na"	25.00377
"1259311"	213.098186	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+CH3OH+H"	33.033486
"377117"	399.092558	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+K"	38.963158
"739613"	579.157258	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+K"	38.963158
"1540936"	219.027858	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+K"	38.963158
"299573"	200.049917	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+H+K"	39.970434
"692353"	290.082267	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+H+K"	39.970434
"1446171"	110.017567	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H+K"	39.970434
"236593"	402.163226	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+ACN+H"	42.033826
"1213328"	222.098526	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+H"	42.033826
"1202680"	111.552901	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+2H"	43.041102
"195554"	405.10056	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Na-H"	44.97116
"636208"	585.16526	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Na-H"	44.97116
"1138622"	225.03586	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2Na-H"	44.97116
"178632"	203.053918	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+2Na"	45.978436
"617098"	293.086268	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+2Na"	45.978436
"1115692"	113.021568	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2Na"	45.978436
"1406317"	75.6834706666667	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H+2Na"	46.985712
"1434058"	227.077446	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H+HCOOH"	47.012746
"223754"	208.08694	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+3H2O+2H"	56.04448
"1509627"	241.12949	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+IsoProp+H"	61.06479
"408720"	211.040888	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+Na+K"	61.952376
"772498"	301.073238	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+Na+K"	61.952376
"1666266"	121.008538	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+K"	61.952376
"251486"	424.145168	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+ACN+Na"	64.015768
"1232074"	244.080468	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+ACN+Na"	64.015768
"1719867"	244.103993	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4+HCOOH"	64.039293
"1182307"	83.0107846666667	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+3Na"	68.967654
"1657668"	249.059388	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+HCOOH"	68.994688
"163434"	437.04844	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+2K-H"	76.91904
"604088"	617.11314	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+2K-H"	76.91904
"1096257"	256.98374	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2K-H"	76.91904
"151978"	219.027858	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"2M+2K"	77.926316
"594821"	309.060208	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"3M+2K"	77.926316
"1082613"	128.995508	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2K"	77.926316
"1114008"	258.998292	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2K+H"	78.933592
"1350026"	259.085907	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+DMSO+H"	79.021207
"1019650"	263.125076	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2ACN+H"	83.060376
"1539114"	264.118708	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+IsoProp+Na+H"	84.054008
"1004953"	132.066176	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+2ACN+2H"	84.067652
"1592166"	265.033328	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+K+HCOOH"	84.968628
"1425480"	295.064838	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+H+CF3COOH"	115.000138
"1159048"	152.579451	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+3ACN+2H"	125.094202
"1700950"	312.091385	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+NH4+CF3COOH"	132.026685
"1640978"	317.04678	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+Na+CF3COOH"	136.98208
"1585376"	333.02072	"C13747"	"17-Dimethylxanthine;Paraxanthine"	"C7H8N4O2"	"180.0647"	"M+K+CF3COOH"	152.95602
"805900"	353.9003	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M"	0
"981619"	334.88191	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-H2O-H"	-19.01839
"72048"	234.926257333333	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M-3H"	-3.021828
"513798"	352.893024	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M-3H"	-3.021828
"886134"	116.959490666667	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-3H"	-3.021828
"11272"	352.893024	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M-2H"	-2.014552
"448644"	529.843174	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M-2H"	-2.014552
"823168"	175.942874	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-2H"	-2.014552
"88626"	706.793324	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M-H"	-1.007276
"520897"	1060.693624	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M-H"	-1.007276
"903802"	352.893024	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-H"	-1.007276
"47357"	723.819871	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M-2H+NH4"	16.019271
"488380"	1077.720171	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M-2H+NH4"	16.019271
"866416"	369.919571	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-2H+NH4"	16.019271
"31541"	728.775266	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M-2H+Na"	20.974666
"471437"	1082.675566	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M-2H+Na"	20.974666
"849137"	374.874966	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-2H+Na"	20.974666
"1618793"	374.874966	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Na-2H"	20.974666
"94293"	370.881363	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M-H+Cl"	33.962126
"543146"	547.831513	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M-H+Cl"	33.962126
"940676"	193.931213	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-H+Cl"	33.962126
"282816"	742.770002	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+Cl"	34.969402
"675432"	1096.670302	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+Cl"	34.969402
"1288112"	388.869702	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Cl"	34.969402
"31118"	744.749206	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M-2H+K"	36.948606
"471177"	1098.649506	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M-2H+K"	36.948606
"848348"	390.848906	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-2H+K"	36.948606
"1571154"	390.848906	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+K-2H"	36.948606
"958371"	398.898494	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-H+HCOOH"	44.998194
"371742"	752.798801	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+HCOOH-H"	44.998201
"354531"	766.814451	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+Hac-H"	59.013851
"1500080"	412.914151	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Hac-H"	59.013851
"966528"	420.880451	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-H+NaCOOH"	66.980151
"116527"	388.869702	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+2Cl"	69.938804
"559371"	565.819852	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+2Cl"	69.938804
"1036078"	211.919552	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2Cl"	69.938804
"1254313"	432.819185	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Br"	78.918885
"1314571"	434.875172	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Cl+HCOOH"	80.974872
"1329882"	456.857129	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Cl+NaCOOH"	102.956829
"919846"	466.885886	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M-H+CF3COOH"	112.985586
"1293279"	502.862564	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Cl+CF3COOH"	148.962264
"1371436"	318.887624	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H-2H2O"	-35.012676
"1390031"	336.8976	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H-H2O"	-17.0027
"283881"	708.807876	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+H"	1.007276
"682139"	1062.708176	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+H"	1.007276
"1362864"	354.907576	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H"	1.007276
"128459"	354.907576	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+2H"	2.014552
"567655"	531.857726	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+2H"	2.014552
"1038276"	177.957426	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2H"	2.014552
"206541"	236.940809333333	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+3H"	3.021828
"644767"	354.907576	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+3H"	3.021828
"1166422"	118.974042666667	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+3H"	3.021828
"424546"	725.834423	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+NH4"	18.033823
"786432"	1079.734723	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+NH4"	18.033823
"1681912"	371.934123	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+NH4"	18.033823
"332741"	363.4208495	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+H+NH4"	19.041099
"724074"	540.3709995	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+H+NH4"	19.041099
"1478262"	186.4706995	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H+NH4"	19.041099
"399135"	730.789818	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+Na"	22.989218
"762317"	1084.690118	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+Na"	22.989218
"1609320"	376.889518	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Na"	22.989218
"314301"	365.898547	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+H+Na"	23.996494
"707399"	542.848697	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+H+Na"	23.996494
"1462312"	188.948397	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H+Na"	23.996494
"1052880"	126.301356666667	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2H+Na"	25.00377
"1259784"	386.933786	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+CH3OH+H"	33.033486
"378358"	746.763758	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+K"	38.963158
"739357"	1100.664058	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+K"	38.963158
"1541044"	392.863458	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+K"	38.963158
"298655"	373.885517	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+H+K"	39.970434
"691539"	550.835667	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+H+K"	39.970434
"1445914"	196.935367	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H+K"	39.970434
"235807"	749.834426	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+ACN+H"	42.033826
"1211250"	395.934126	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+ACN+H"	42.033826
"1199510"	198.470701	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+ACN+2H"	43.041102
"193477"	752.77176	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+2Na-H"	44.97116
"636318"	1106.67206	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+2Na-H"	44.97116
"1138732"	398.87146	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2Na-H"	44.97116
"178742"	376.889518	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+2Na"	45.978436
"616115"	553.839668	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+2Na"	45.978436
"1116003"	199.939368	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2Na"	45.978436
"1406427"	133.628670666667	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H+2Na"	46.985712
"1430521"	400.913046	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H+HCOOH"	47.012746
"220582"	381.92254	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+3H2O+2H"	56.04448
"1509250"	414.96509	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+IsoProp+H"	61.06479
"408684"	384.876488	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+Na+K"	61.952376
"772243"	561.826638	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+Na+K"	61.952376
"1665769"	207.926338	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Na+K"	61.952376
"251414"	771.816368	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+ACN+Na"	64.015768
"1229268"	417.916068	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+ACN+Na"	64.015768
"1719248"	417.939593	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+NH4+HCOOH"	64.039293
"1182416"	140.955984666667	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+3Na"	68.967654
"1654498"	422.894988	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Na+HCOOH"	68.994688
"162451"	784.71964	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+2K-H"	76.91904
"602012"	1138.61994	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+2K-H"	76.91904
"1088711"	430.81934	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2K-H"	76.91904
"148808"	392.863458	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"2M+2K"	77.926316
"592744"	569.813608	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"3M+2K"	77.926316
"1082722"	215.913308	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2K"	77.926316
"1113996"	432.833892	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2K+H"	78.933592
"1349042"	432.921507	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+DMSO+H"	79.021207
"1017573"	436.960676	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2ACN+H"	83.060376
"1537884"	437.954308	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+IsoProp+Na+H"	84.054008
"1005307"	218.983976	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+2ACN+2H"	84.067652
"1592276"	438.868928	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+K+HCOOH"	84.968628
"1425590"	468.900438	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+H+CF3COOH"	115.000138
"1159158"	239.497251	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+3ACN+2H"	125.094202
"1701060"	485.926985	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+NH4+CF3COOH"	132.026685
"1641088"	490.88238	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+Na+CF3COOH"	136.98208
"1585486"	506.85632	"C13748"	"9-Methyl-7-bromoeudistomin D;MBED"	"C12H8Br2N2O"	"353.9003"	"M+K+CF3COOH"	152.95602
"807103"	287.0728	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M"	0
"982822"	268.05441	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-H2O-H"	-19.01839
"73252"	190.374590666667	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M-3H"	-3.021828
"513908"	286.065524	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M-3H"	-3.021828
"886244"	94.6836573333333	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-3H"	-3.021828
"8102"	286.065524	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M-2H"	-2.014552
"447661"	429.601924	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M-2H"	-2.014552
"823278"	142.529124	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-2H"	-2.014552
"85456"	573.138324	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M-H"	-1.007276
"522100"	860.211124	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M-H"	-1.007276
"900631"	286.065524	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-H"	-1.007276
"47262"	590.164871	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M-2H+NH4"	16.019271
"487265"	877.237671	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M-2H+NH4"	16.019271
"864498"	303.092071	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-2H+NH4"	16.019271
"32736"	595.120266	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M-2H+Na"	20.974666
"471517"	882.193066	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M-2H+Na"	20.974666
"849206"	308.047466	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-2H+Na"	20.974666
"1618740"	308.047466	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Na-2H"	20.974666
"94419"	304.053863	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M-H+Cl"	33.962126
"543256"	447.590263	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M-H+Cl"	33.962126
"941394"	160.517463	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-H+Cl"	33.962126
"282592"	609.115002	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+Cl"	34.969402
"675598"	896.187802	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+Cl"	34.969402
"1287896"	322.042202	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Cl"	34.969402
"31212"	611.094206	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M-2H+K"	36.948606
"471207"	898.167006	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M-2H+K"	36.948606
"848429"	324.021406	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-2H+K"	36.948606
"1568666"	324.021406	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+K-2H"	36.948606
"950350"	332.070994	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-H+HCOOH"	44.998194
"371852"	619.143801	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+HCOOH-H"	44.998201
"354641"	633.159451	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+Hac-H"	59.013851
"1498004"	346.086651	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Hac-H"	59.013851
"966638"	354.052951	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-H+NaCOOH"	66.980151
"112265"	322.042202	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+2Cl"	69.938804
"559481"	465.578602	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+2Cl"	69.938804
"1036551"	178.505802	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2Cl"	69.938804
"1253330"	365.991685	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Br"	78.918885
"1314681"	368.047672	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Cl+HCOOH"	80.974872
"1331086"	390.029629	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Cl+NaCOOH"	102.956829
"919956"	400.058386	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M-H+CF3COOH"	112.985586
"1294478"	436.035064	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Cl+CF3COOH"	148.962264
"1368630"	252.060124	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H-2H2O"	-35.012676
"1389048"	270.0701	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H-H2O"	-17.0027
"285449"	575.152876	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+H"	1.007276
"682249"	862.225676	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+H"	1.007276
"1360058"	288.080076	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H"	1.007276
"130390"	288.080076	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+2H"	2.014552
"567765"	431.616476	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+2H"	2.014552
"1038387"	144.543676	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2H"	2.014552
"205922"	192.389142666667	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+3H"	3.021828
"645484"	288.080076	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+3H"	3.021828
"1163615"	96.6982093333333	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+3H"	3.021828
"425427"	592.179423	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+NH4"	18.033823
"786787"	879.252223	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+NH4"	18.033823
"1682386"	305.106623	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+NH4"	18.033823
"331758"	296.5933495	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+H+NH4"	19.041099
"723941"	440.1297495	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+H+NH4"	19.041099
"1478493"	153.0569495	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H+NH4"	19.041099
"400339"	597.134818	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+Na"	22.989218
"765707"	884.207618	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+Na"	22.989218
"1609430"	310.062018	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Na"	22.989218
"314638"	299.071047	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+H+Na"	23.996494
"708970"	442.607447	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+H+Na"	23.996494
"1462302"	155.534647	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H+Na"	23.996494
"1054208"	104.025523333333	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2H+Na"	25.00377
"1260623"	320.106286	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+CH3OH+H"	33.033486
"380291"	613.108758	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+K"	38.963158
"741289"	900.181558	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+K"	38.963158
"1541883"	326.035958	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+K"	38.963158
"298768"	307.058017	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+H+K"	39.970434
"692208"	450.594417	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+H+K"	39.970434
"1446753"	163.521617	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H+K"	39.970434
"236447"	616.179426	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+ACN+H"	42.033826
"1211723"	329.106626	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+ACN+H"	42.033826
"1196337"	165.056951	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+ACN+2H"	43.041102
"192494"	619.11676	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+2Na-H"	44.97116
"636428"	906.18956	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+2Na-H"	44.97116
"1139935"	332.04396	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2Na-H"	44.97116
"178852"	310.062018	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+2Na"	45.978436
"619505"	453.598418	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+2Na"	45.978436
"1115717"	166.525618	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2Na"	45.978436
"1405444"	111.352837333333	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H+2Na"	46.985712
"1431361"	334.085546	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H+HCOOH"	47.012746
"220488"	315.09504	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+3H2O+2H"	56.04448
"1508790"	348.13759	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+IsoProp+H"	61.06479
"408588"	318.048988	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+Na+K"	61.952376
"770532"	461.585388	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+Na+K"	61.952376
"1665655"	174.512588	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Na+K"	61.952376
"251469"	638.161368	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+ACN+Na"	64.015768
"1232658"	351.088568	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+ACN+Na"	64.015768
"1719358"	351.112093	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+NH4+HCOOH"	64.039293
"1182527"	118.680151333333	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+3Na"	68.967654
"1651326"	356.067488	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Na+HCOOH"	68.994688
"162561"	651.06464	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+2K-H"	76.91904
"602122"	938.13744	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+2K-H"	76.91904
"1087727"	363.99184	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2K-H"	76.91904
"145638"	326.035958	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"2M+2K"	77.926316
"590667"	469.572358	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"3M+2K"	77.926316
"1080645"	182.499558	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2K"	77.926316
"1108394"	366.006392	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2K+H"	78.933592
"1346965"	366.094007	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+DMSO+H"	79.021207
"1016589"	370.133176	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2ACN+H"	83.060376
"1536901"	371.126808	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+IsoProp+Na+H"	84.054008
"1005296"	185.570226	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+2ACN+2H"	84.067652
"1592386"	372.041428	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+K+HCOOH"	84.968628
"1423513"	402.072938	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+H+CF3COOH"	115.000138
"1155988"	206.083501	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+3ACN+2H"	125.094202
"1704450"	419.099485	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+NH4+CF3COOH"	132.026685
"1644478"	424.05488	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+Na+CF3COOH"	136.98208
"1585596"	440.02882	"C13749"	"Sulmazole"	"C14H13N3O2S"	"287.0728"	"M+K+CF3COOH"	152.95602
"806120"	538.3043	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M"	0
"985120"	519.28591	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-H2O-H"	-19.01839
"75551"	357.862257333333	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M-3H"	-3.021828
"517300"	537.297024	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M-3H"	-3.021828
"883074"	178.427490666667	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-3H"	-3.021828
"8212"	537.297024	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M-2H"	-2.014552
"447771"	806.449174	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M-2H"	-2.014552
"820107"	268.144874	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-2H"	-2.014552
"82650"	1075.601324	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M-H"	-1.007276
"520265"	1613.905624	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M-H"	-1.007276
"900741"	537.297024	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-H"	-1.007276
"47454"	1092.627871	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M-2H+NH4"	16.019271
"487666"	1630.932171	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M-2H+NH4"	16.019271
"864813"	554.323571	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-2H+NH4"	16.019271
"31627"	1097.583266	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M-2H+Na"	20.974666
"472161"	1635.887566	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M-2H+Na"	20.974666
"849358"	559.278966	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-2H+Na"	20.974666
"1619013"	559.278966	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Na-2H"	20.974666
"95050"	555.285363	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M-H+Cl"	33.962126
"540086"	824.437513	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M-H+Cl"	33.962126
"941018"	286.133213	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-H+Cl"	33.962126
"282254"	1111.578002	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+Cl"	34.969402
"675450"	1649.882302	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+Cl"	34.969402
"1286709"	573.273702	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Cl"	34.969402
"30728"	1113.557206	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M-2H+K"	36.948606
"470535"	1651.861506	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M-2H+K"	36.948606
"848171"	575.252906	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-2H+K"	36.948606
"1570599"	575.252906	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+K-2H"	36.948606
"954834"	583.302494	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-H+HCOOH"	44.998194
"373056"	1121.606801	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+HCOOH-H"	44.998201
"354750"	1135.622451	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+Hac-H"	59.013851
"1501393"	597.318151	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Hac-H"	59.013851
"965654"	605.284451	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-H+NaCOOH"	66.980151
"116744"	573.273702	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+2Cl"	69.938804
"558498"	842.425852	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+2Cl"	69.938804
"1035327"	304.121552	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2Cl"	69.938804
"1254169"	617.223185	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Br"	78.918885
"1311511"	619.279172	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Cl+HCOOH"	80.974872
"1329007"	641.261129	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Cl+NaCOOH"	102.956829
"922253"	651.289886	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M-H+CF3COOH"	112.985586
"1295682"	687.266564	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Cl+CF3COOH"	148.962264
"1374937"	503.291624	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H-2H2O"	-35.012676
"1390251"	521.3016	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H-H2O"	-17.0027
"287746"	1077.615876	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+H"	1.007276
"678347"	1615.920176	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+H"	1.007276
"1358708"	539.311576	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H"	1.007276
"129408"	539.311576	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+2H"	2.014552
"568969"	808.463726	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+2H"	2.014552
"1039226"	270.159426	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2H"	2.014552
"206398"	359.876809333333	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+3H"	3.021828
"645958"	539.311576	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+3H"	3.021828
"1169922"	180.442042666667	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+3H"	3.021828
"425659"	1094.642423	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+NH4"	18.033823
"787019"	1632.946723	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+NH4"	18.033823
"1686143"	556.338123	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+NH4"	18.033823
"333326"	547.8248495	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+H+NH4"	19.041099
"724050"	816.9769995	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+H+NH4"	19.041099
"1486135"	278.6726995	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H+NH4"	19.041099
"401542"	1099.597818	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+Na"	22.989218
"768005"	1637.902118	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+Na"	22.989218
"1609541"	561.293518	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Na"	22.989218
"316295"	550.302547	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+H+Na"	23.996494
"714183"	819.454697	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+H+Na"	23.996494
"1471284"	281.150397	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H+Na"	23.996494
"1063434"	187.769356666667	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2H+Na"	25.00377
"1264019"	571.337786	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+CH3OH+H"	33.033486
"380768"	1115.571758	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+K"	38.963158
"741402"	1653.876058	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+K"	38.963158
"1545642"	577.267458	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+K"	38.963158
"301727"	558.289517	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+H+K"	39.970434
"694512"	827.441667	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+H+K"	39.970434
"1446265"	289.137367	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H+K"	39.970434
"236242"	1118.642426	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+ACN+H"	42.033826
"1216938"	580.338126	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+ACN+H"	42.033826
"1200823"	290.672701	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+ACN+2H"	43.041102
"192604"	1121.57976	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+2Na-H"	44.97116
"631071"	1659.88406	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+2Na-H"	44.97116
"1138953"	583.27546	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2Na-H"	44.97116
"173494"	561.293518	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+2Na"	45.978436
"621803"	830.445668	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+2Na"	45.978436
"1116802"	292.141368	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2Na"	45.978436
"1401180"	195.096670666667	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H+2Na"	46.985712
"1430375"	585.317046	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H+HCOOH"	47.012746
"220437"	566.32654	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+3H2O+2H"	56.04448
"1508460"	599.36909	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+IsoProp+H"	61.06479
"408542"	569.280488	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+Na+K"	61.952376
"770758"	838.432638	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+Na+K"	61.952376
"1666722"	300.128338	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Na+K"	61.952376
"251473"	1140.624368	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+ACN+Na"	64.015768
"1230581"	602.320068	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+ACN+Na"	64.015768
"1718374"	602.343593	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+NH4+HCOOH"	64.039293
"1182637"	202.423984666667	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+3Na"	68.967654
"1652163"	607.298988	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Na+HCOOH"	68.994688
"160484"	1153.52764	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+2K-H"	76.91904
"602232"	1691.83194	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+2K-H"	76.91904
"1091119"	615.22334	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2K-H"	76.91904
"149028"	577.267458	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"2M+2K"	77.926316
"587496"	846.419608	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"3M+2K"	77.926316
"1078569"	308.115308	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2K"	77.926316
"1111784"	617.237892	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2K+H"	78.933592
"1343795"	617.325507	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+DMSO+H"	79.021207
"1016701"	621.364676	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2ACN+H"	83.060376
"1537012"	622.358308	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+IsoProp+Na+H"	84.054008
"1002367"	311.185976	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+2ACN+2H"	84.067652
"1596869"	623.272928	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+K+HCOOH"	84.968628
"1422529"	653.304438	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+H+CF3COOH"	115.000138
"1155005"	331.699251	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+3ACN+2H"	125.094202
"1701279"	670.330985	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+NH4+CF3COOH"	132.026685
"1638022"	675.28638	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+Na+CF3COOH"	136.98208
"1585706"	691.26032	"C13750"	"Batrachotoxin"	"C31H42N2O6"	"538.3043"	"M+K+CF3COOH"	152.95602
"806230"	319.0948	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M"	0
"987416"	300.07641	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-H2O-H"	-19.01839
"76754"	211.722590666667	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M-3H"	-3.021828
"516317"	318.087524	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M-3H"	-3.021828
"884277"	105.357657333333	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-3H"	-3.021828
"661"	318.087524	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M-2H"	-2.014552
"445694"	477.634924	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M-2H"	-2.014552
"827869"	158.540124	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-2H"	-2.014552
"80573"	637.182324	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M-H"	-1.007276
"523048"	956.277124	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M-H"	-1.007276
"900849"	318.087524	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-H"	-1.007276
"47485"	654.208871	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M-2H+NH4"	16.019271
"487735"	973.303671	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M-2H+NH4"	16.019271
"865168"	335.114071	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-2H+NH4"	16.019271
"31856"	659.164266	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M-2H+Na"	20.974666
"472146"	978.259066	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M-2H+Na"	20.974666
"849219"	340.069466	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-2H+Na"	20.974666
"1619608"	340.069466	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Na-2H"	20.974666
"95040"	336.075863	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M-H+Cl"	33.962126
"536913"	495.623263	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M-H+Cl"	33.962126
"941370"	176.528463	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-H+Cl"	33.962126
"279197"	673.159002	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+Cl"	34.969402
"672348"	992.253802	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+Cl"	34.969402
"1284750"	354.064202	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Cl"	34.969402
"29494"	675.138206	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M-2H+K"	36.948606
"468688"	994.233006	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M-2H+K"	36.948606
"847709"	356.043406	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-2H+K"	36.948606
"1569979"	356.043406	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+K-2H"	36.948606
"951663"	364.092994	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-H+HCOOH"	44.998194
"370977"	683.187801	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+HCOOH-H"	44.998201
"355589"	697.203451	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+Hac-H"	59.013851
"1499317"	378.108651	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Hac-H"	59.013851
"966857"	386.074951	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-H+NaCOOH"	66.980151
"115032"	354.064202	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+2Cl"	69.938804
"558608"	513.611602	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+2Cl"	69.938804
"1035795"	194.516802	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2Cl"	69.938804
"1252456"	398.013685	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Br"	78.918885
"1311620"	400.069672	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Cl+HCOOH"	80.974872
"1325836"	422.051629	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Cl+NaCOOH"	102.956829
"916895"	432.080386	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M-H+CF3COOH"	112.985586
"1294698"	468.057064	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Cl+CF3COOH"	148.962264
"1375046"	284.082124	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H-2H2O"	-35.012676
"1387075"	302.0921	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H-H2O"	-17.0027
"286762"	639.196876	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+H"	1.007276
"680279"	958.291676	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+H"	1.007276
"1358818"	320.102076	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H"	1.007276
"131703"	320.102076	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+2H"	2.014552
"571264"	479.649476	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+2H"	2.014552
"1038972"	160.554676	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2H"	2.014552
"207964"	213.737142666667	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+3H"	3.021828
"647525"	320.102076	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+3H"	3.021828
"1170024"	107.372209333333	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+3H"	3.021828
"427104"	656.223423	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+NH4"	18.033823
"786765"	975.318223	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+NH4"	18.033823
"1685160"	337.128623	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+NH4"	18.033823
"331247"	328.6153495	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+H+NH4"	19.041099
"725862"	488.1627495	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+H+NH4"	19.041099
"1485151"	169.0679495	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H+NH4"	19.041099
"402745"	661.178818	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+Na"	22.989218
"768115"	980.273618	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+Na"	22.989218
"1610744"	342.084018	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Na"	22.989218
"316041"	331.093047	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+H+Na"	23.996494
"716480"	490.640447	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+H+Na"	23.996494
"1474674"	171.545647	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H+Na"	23.996494
"1063544"	114.699523333333	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2H+Na"	25.00377
"1265222"	352.128286	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+CH3OH+H"	33.033486
"383794"	677.152758	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+K"	38.963158
"742605"	996.247558	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+K"	38.963158
"1544659"	358.057958	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+K"	38.963158
"305118"	339.080017	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+H+K"	39.970434
"695715"	498.627417	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+H+K"	39.970434
"1446496"	179.532617	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H+K"	39.970434
"236675"	680.223426	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+ACN+H"	42.033826
"1218141"	361.128626	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+ACN+H"	42.033826
"1196558"	181.067951	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+ACN+2H"	43.041102
"190526"	683.16076	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+2Na-H"	44.97116
"632274"	1002.25556	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+2Na-H"	44.97116
"1140155"	364.06596	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2Na-H"	44.97116
"174089"	342.084018	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+2Na"	45.978436
"621913"	501.631418	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+2Na"	45.978436
"1116179"	182.536618	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2Na"	45.978436
"1404570"	122.026837333333	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H+2Na"	46.985712
"1431218"	366.107546	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H+HCOOH"	47.012746
"222007"	347.11704	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+3H2O+2H"	56.04448
"1508730"	380.15959	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+IsoProp+H"	61.06479
"410112"	350.070988	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+Na+K"	61.952376
"771232"	509.618388	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+Na+K"	61.952376
"1667196"	190.523588	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Na+K"	61.952376
"252503"	702.205368	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+ACN+Na"	64.015768
"1230691"	383.110568	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+ACN+Na"	64.015768
"1715204"	383.134093	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+NH4+HCOOH"	64.039293
"1181652"	129.354151333333	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+3Na"	68.967654
"1653733"	388.089488	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Na+HCOOH"	68.994688
"163875"	715.10864	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+2K-H"	76.91904
"602341"	1034.20344	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+2K-H"	76.91904
"1087947"	396.01384	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2K-H"	76.91904
"145858"	358.057958	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"2M+2K"	77.926316
"584690"	517.605358	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"3M+2K"	77.926316
"1077585"	198.510558	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2K"	77.926316
"1107521"	398.028392	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2K+H"	78.933592
"1341718"	398.116007	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+DMSO+H"	79.021207
"1016807"	402.155176	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2ACN+H"	83.060376
"1534934"	403.148808	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+IsoProp+Na+H"	84.054008
"1002476"	201.581226	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+2ACN+2H"	84.067652
"1595885"	404.063428	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+K+HCOOH"	84.968628
"1422638"	434.094938	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+H+CF3COOH"	115.000138
"1156209"	222.094501	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+3ACN+2H"	125.094202
"1703576"	451.121485	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+NH4+CF3COOH"	132.026685
"1636310"	456.07688	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+Na+CF3COOH"	136.98208
"1585816"	472.05082	"C13751"	"Benzamil"	"C13H14ClN7O"	"319.0948"	"M+K+CF3COOH"	152.95602
"806340"	305.0792	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M"	0
"987526"	286.06081	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-H2O-H"	-19.01839
"77594"	202.378857333333	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M-3H"	-3.021828
"516428"	304.071924	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M-3H"	-3.021828
"892041"	100.685790666667	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-3H"	-3.021828
"8427"	304.071924	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M-2H"	-2.014552
"445804"	456.611524	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M-2H"	-2.014552
"827979"	151.532324	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-2H"	-2.014552
"79590"	609.151124	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M-H"	-1.007276
"523158"	914.230324	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M-H"	-1.007276
"900959"	304.071924	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-H"	-1.007276
"47676"	626.177671	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M-2H+NH4"	16.019271
"488696"	931.256871	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M-2H+NH4"	16.019271
"866496"	321.098471	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-2H+NH4"	16.019271
"33307"	631.133066	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M-2H+Na"	20.974666
"474811"	936.212266	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M-2H+Na"	20.974666
"851400"	326.053866	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-2H+Na"	20.974666
"1620932"	326.053866	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Na-2H"	20.974666
"96368"	322.060263	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M-H+Cl"	33.962126
"540301"	474.599863	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M-H+Cl"	33.962126
"941844"	169.520663	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-H+Cl"	33.962126
"279671"	645.127802	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+Cl"	34.969402
"672458"	950.207002	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+Cl"	34.969402
"1287048"	340.048602	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Cl"	34.969402
"31213"	647.107006	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M-2H+K"	36.948606
"468798"	952.186206	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M-2H+K"	36.948606
"846602"	342.027806	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-2H+K"	36.948606
"1569723"	342.027806	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+K-2H"	36.948606
"952866"	350.077394	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-H+HCOOH"	44.998194
"372182"	655.156601	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+HCOOH-H"	44.998201
"355335"	669.172251	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+Hac-H"	59.013851
"1500520"	364.093051	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Hac-H"	59.013851
"966968"	372.059351	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-H+NaCOOH"	66.980151
"116967"	340.048602	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+2Cl"	69.938804
"558718"	492.588202	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+2Cl"	69.938804
"1035176"	187.509002	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2Cl"	69.938804
"1252566"	383.998085	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Br"	78.918885
"1313918"	386.054072	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Cl+HCOOH"	80.974872
"1329229"	408.036029	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Cl+NaCOOH"	102.956829
"920285"	418.064786	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M-H+CF3COOH"	112.985586
"1300277"	454.041464	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Cl+CF3COOH"	148.962264
"1376251"	270.066524	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H-2H2O"	-35.012676
"1391559"	288.0765	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H-H2O"	-17.0027
"290156"	611.165676	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+H"	1.007276
"685859"	916.244876	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+H"	1.007276
"1360752"	306.086476	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H"	1.007276
"131816"	306.086476	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+2H"	2.014552
"572468"	458.626076	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+2H"	2.014552
"1040176"	153.546876	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2H"	2.014552
"210262"	204.393409333333	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+3H"	3.021828
"648731"	306.086476	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+3H"	3.021828
"1163451"	102.700342666667	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+3H"	3.021828
"425880"	628.192223	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+NH4"	18.033823
"788941"	933.271423	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+NH4"	18.033823
"1684177"	323.113023	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+NH4"	18.033823
"333181"	314.5997495	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+H+NH4"	19.041099
"724511"	467.1393495	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+H+NH4"	19.041099
"1485261"	162.0601495	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H+NH4"	19.041099
"403949"	633.147618	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+Na"	22.989218
"767130"	938.226818	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+Na"	22.989218
"1613040"	328.068418	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Na"	22.989218
"317243"	317.077447	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+H+Na"	23.996494
"715497"	469.617047	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+H+Na"	23.996494
"1476648"	164.537847	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H+Na"	23.996494
"1060373"	110.027656666667	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2H+Na"	25.00377
"1266424"	338.112686	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+CH3OH+H"	33.033486
"380623"	649.121558	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+K"	38.963158
"742715"	954.200758	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+K"	38.963158
"1546955"	344.042358	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+K"	38.963158
"307414"	325.064417	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+H+K"	39.970434
"695461"	477.604017	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+H+K"	39.970434
"1447216"	172.524817	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H+K"	39.970434
"236784"	652.192226	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+ACN+H"	42.033826
"1219344"	347.113026	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+ACN+H"	42.033826
"1198854"	174.060151	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+ACN+2H"	43.041102
"192824"	655.12956	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+2Na-H"	44.97116
"633478"	960.20876	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+2Na-H"	44.97116
"1140266"	350.05036	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2Na-H"	44.97116
"176996"	328.068418	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+2Na"	45.978436
"622023"	480.608018	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+2Na"	45.978436
"1118238"	175.528818	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2Na"	45.978436
"1409053"	117.354970666667	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H+2Na"	46.985712
"1438984"	352.091946	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H+HCOOH"	47.012746
"224304"	333.10144	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+3H2O+2H"	56.04448
"1511274"	366.14399	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+IsoProp+H"	61.06479
"409498"	336.055388	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+Na+K"	61.952376
"774140"	488.594988	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+Na+K"	61.952376
"1669010"	183.515788	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Na+K"	61.952376
"255530"	674.174168	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+ACN+Na"	64.015768
"1231895"	369.094968	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+ACN+Na"	64.015768
"1718594"	369.118493	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+NH4+HCOOH"	64.039293
"1182856"	124.682284666667	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+3Na"	68.967654
"1656030"	374.073888	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Na+HCOOH"	68.994688
"162892"	687.07744	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+2K-H"	76.91904
"601358"	992.15664	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+2K-H"	76.91904
"1090244"	381.99824	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2K-H"	76.91904
"147061"	344.042358	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"2M+2K"	77.926316
"587715"	496.581958	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"3M+2K"	77.926316
"1079882"	191.502758	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2K"	77.926316
"1103256"	384.012792	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2K+H"	78.933592
"1340732"	384.100407	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+DMSO+H"	79.021207
"1015825"	388.139576	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2ACN+H"	83.060376
"1535774"	389.133208	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+IsoProp+Na+H"	84.054008
"1000401"	194.573426	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+2ACN+2H"	84.067652
"1593808"	390.047828	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+K+HCOOH"	84.968628
"1421655"	420.079338	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+H+CF3COOH"	115.000138
"1155225"	215.086701	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+3ACN+2H"	125.094202
"1702593"	437.105885	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+NH4+CF3COOH"	132.026685
"1636056"	442.06128	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+Na+CF3COOH"	136.98208
"1585926"	458.03522	"C13752"	"Phenylamil;Phenamil"	"C12H12ClN7O"	"305.0792"	"M+K+CF3COOH"	152.95602
"813011"	257.0792	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M"	0
"989688"	238.06081	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-H2O-H"	-19.01839
"77342"	170.378857333333	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M-3H"	-3.021828
"516540"	256.071924	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M-3H"	-3.021828
"892152"	84.6857906666667	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-3H"	-3.021828
"14004"	256.071924	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M-2H"	-2.014552
"442632"	384.611524	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M-2H"	-2.014552
"823715"	127.532324	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-2H"	-2.014552
"82616"	513.151124	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M-H"	-1.007276
"523268"	770.230324	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M-H"	-1.007276
"898882"	256.071924	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-H"	-1.007276
"49976"	530.177671	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M-2H+NH4"	16.019271
"488685"	787.256871	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M-2H+NH4"	16.019271
"866245"	273.098471	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-2H+NH4"	16.019271
"32078"	535.133066	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M-2H+Na"	20.974666
"474800"	792.212266	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M-2H+Na"	20.974666
"851511"	278.053866	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-2H+Na"	20.974666
"1621042"	278.053866	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Na-2H"	20.974666
"98667"	274.060263	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M-H+Cl"	33.962126
"537133"	402.599863	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M-H+Cl"	33.962126
"941590"	145.520663	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-H+Cl"	33.962126
"278322"	549.127802	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+Cl"	34.969402
"673297"	806.207002	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+Cl"	34.969402
"1285334"	292.048602	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Cl"	34.969402
"30078"	551.107006	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M-2H+K"	36.948606
"470000"	808.186206	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M-2H+K"	36.948606
"846954"	294.027806	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-2H+K"	36.948606
"1568010"	294.027806	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+K-2H"	36.948606
"954070"	302.077394	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-H+HCOOH"	44.998194
"370833"	559.156601	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+HCOOH-H"	44.998201
"355080"	573.172251	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+Hac-H"	59.013851
"1498808"	316.093051	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Hac-H"	59.013851
"963799"	324.059351	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-H+NaCOOH"	66.980151
"116348"	292.048602	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+2Cl"	69.938804
"557735"	420.588202	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+2Cl"	69.938804
"1035650"	163.509002	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2Cl"	69.938804
"1251582"	335.998085	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Br"	78.918885
"1314029"	338.054072	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Cl+HCOOH"	80.974872
"1330433"	360.036029	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Cl+NaCOOH"	102.956829
"916022"	370.064786	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M-H+CF3COOH"	112.985586
"1298199"	406.041464	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Cl+CF3COOH"	148.962264
"1374177"	222.066524	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H-2H2O"	-35.012676
"1389484"	240.0765	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H-H2O"	-17.0027
"289173"	515.165676	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+H"	1.007276
"685969"	772.244876	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+H"	1.007276
"1363049"	258.086476	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H"	1.007276
"134113"	258.086476	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+2H"	2.014552
"573673"	386.626076	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+2H"	2.014552
"1039678"	129.546876	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2H"	2.014552
"209279"	172.393409333333	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+3H"	3.021828
"648841"	258.086476	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+3H"	3.021828
"1165872"	86.7003426666667	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+3H"	3.021828
"428056"	532.192223	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+NH4"	18.033823
"787958"	789.271423	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+NH4"	18.033823
"1682828"	275.113023	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+NH4"	18.033823
"334750"	266.5997495	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+H+NH4"	19.041099
"722933"	395.1393495	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+H+NH4"	19.041099
"1485371"	138.0601495	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H+NH4"	19.041099
"402964"	537.147618	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+Na"	22.989218
"762866"	794.226818	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+Na"	22.989218
"1607683"	280.068418	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Na"	22.989218
"322092"	269.077447	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+H+Na"	23.996494
"720953"	397.617047	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+H+Na"	23.996494
"1471612"	140.537847	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H+Na"	23.996494
"1060483"	94.0276566666667	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2H+Na"	25.00377
"1263254"	290.112686	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+CH3OH+H"	33.033486
"381827"	553.121558	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+K"	38.963158
"740638"	810.200758	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+K"	38.963158
"1541229"	296.042358	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+K"	38.963158
"306431"	277.064417	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+H+K"	39.970434
"693385"	405.604017	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+H+K"	39.970434
"1447205"	148.524817	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H+K"	39.970434
"235923"	556.192226	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+ACN+H"	42.033826
"1215081"	299.113026	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+ACN+H"	42.033826
"1197870"	150.060151	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+ACN+2H"	43.041102
"196214"	559.12956	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+2Na-H"	44.97116
"633588"	816.20876	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+2Na-H"	44.97116
"1140376"	302.05036	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2Na-H"	44.97116
"176741"	280.068418	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+2Na"	45.978436
"621039"	408.608018	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+2Na"	45.978436
"1118712"	151.528818	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2Na"	45.978436
"1408070"	101.354970666667	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H+2Na"	46.985712
"1439094"	304.091946	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H+HCOOH"	47.012746
"221619"	285.10144	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+3H2O+2H"	56.04448
"1510291"	318.14399	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+IsoProp+H"	61.06479
"412163"	288.055388	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+Na+K"	61.952376
"772063"	416.594988	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+Na+K"	61.952376
"1668391"	159.515788	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Na+K"	61.952376
"254550"	578.174168	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+ACN+Na"	64.015768
"1232005"	321.094968	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+ACN+Na"	64.015768
"1715424"	321.118493	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+NH4+HCOOH"	64.039293
"1184060"	108.682284666667	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+3Na"	68.967654
"1659420"	326.073888	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Na+HCOOH"	68.994688
"164095"	591.07744	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+2K-H"	76.91904
"601468"	848.15664	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+2K-H"	76.91904
"1089260"	333.99824	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2K-H"	76.91904
"146078"	296.042358	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"2M+2K"	77.926316
"585637"	424.581958	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"3M+2K"	77.926316
"1076710"	167.502758	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2K"	77.926316
"1101422"	336.012792	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2K+H"	78.933592
"1337805"	336.100407	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+DMSO+H"	79.021207
"1013748"	340.139576	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2ACN+H"	83.060376
"1534060"	341.133208	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+IsoProp+Na+H"	84.054008
"1001604"	170.573426	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+2ACN+2H"	84.067652
"1593918"	342.047828	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+K+HCOOH"	84.968628
"1421765"	372.079338	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+H+CF3COOH"	115.000138
"1157522"	191.086701	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+3ACN+2H"	125.094202
"1703797"	389.105885	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+NH4+CF3COOH"	132.026685
"1636166"	394.06128	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+Na+CF3COOH"	136.98208
"1586036"	410.03522	"C13753"	"6-Chloro-35-diaminopyrazine-3-carboxamide;CDPC"	"C8H12ClN7O"	"257.0792"	"M+K+CF3COOH"	152.95602
"815187"	509.0191	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M"	0
"988842"	490.00071	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-H2O-H"	-19.01839
"77574"	338.338790666667	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M-3H"	-3.021828
"516649"	508.011824	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M-3H"	-3.021828
"893356"	168.665757333333	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-3H"	-3.021828
"11929"	508.011824	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M-2H"	-2.014552
"442742"	762.521374	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M-2H"	-2.014552
"823825"	253.502274	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-2H"	-2.014552
"82722"	1017.030924	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M-H"	-1.007276
"520098"	1526.050024	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M-H"	-1.007276
"898992"	508.011824	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-H"	-1.007276
"51179"	1034.057471	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M-2H+NH4"	16.019271
"487822"	1543.076571	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M-2H+NH4"	16.019271
"866355"	525.038371	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-2H+NH4"	16.019271
"33162"	1039.012866	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M-2H+Na"	20.974666
"474912"	1548.031966	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M-2H+Na"	20.974666
"852714"	529.993766	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-2H+Na"	20.974666
"1622247"	529.993766	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Na-2H"	20.974666
"100964"	526.000163	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M-H+Cl"	33.962126
"538338"	780.509713	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M-H+Cl"	33.962126
"932947"	271.490613	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-H+Cl"	33.962126
"278068"	1053.007602	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+Cl"	34.969402
"675551"	1562.026702	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+Cl"	34.969402
"1285809"	543.988502	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Cl"	34.969402
"31162"	1054.986806	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M-2H+K"	36.948606
"469750"	1564.005906	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M-2H+K"	36.948606
"846093"	545.967706	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-2H+K"	36.948606
"1569581"	545.967706	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+K-2H"	36.948606
"953816"	554.017294	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-H+HCOOH"	44.998194
"371306"	1063.036401	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+HCOOH-H"	44.998201
"353002"	1077.052051	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+Hac-H"	59.013851
"1501831"	568.032951	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Hac-H"	59.013851
"965363"	575.999251	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-H+NaCOOH"	66.980151
"115729"	543.988502	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+2Cl"	69.938804
"558203"	798.498052	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+2Cl"	69.938804
"1034668"	289.478952	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2Cl"	69.938804
"1250597"	587.937985	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Br"	78.918885
"1314139"	589.993972	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Cl+HCOOH"	80.974872
"1326165"	611.975929	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Cl+NaCOOH"	102.956829
"915397"	622.004686	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M-H+CF3COOH"	112.985586
"1297216"	657.981364	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Cl+CF3COOH"	148.962264
"1374287"	474.006424	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H-2H2O"	-35.012676
"1388500"	492.0164	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H-H2O"	-17.0027
"288190"	1019.045476	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+H"	1.007276
"686079"	1528.064576	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+H"	1.007276
"1364252"	510.026376	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H"	1.007276
"138963"	510.026376	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+2H"	2.014552
"576700"	764.535926	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+2H"	2.014552
"1042584"	255.516826	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2H"	2.014552
"210484"	340.353342666667	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+3H"	3.021828
"647858"	510.026376	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+3H"	3.021828
"1168170"	170.680309333333	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+3H"	3.021828
"428166"	1036.072023	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+NH4"	18.033823
"786975"	1545.091123	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+NH4"	18.033823
"1682574"	527.052923	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+NH4"	18.033823
"330851"	518.5396495	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+H+NH4"	19.041099
"730566"	773.0491995	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+H+NH4"	19.041099
"1485481"	264.0300995	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H+NH4"	19.041099
"397971"	1041.027418	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+Na"	22.989218
"761883"	1550.046518	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+Na"	22.989218
"1606700"	532.008318	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Na"	22.989218
"319286"	521.017347	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+H+Na"	23.996494
"709155"	775.526897	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+H+Na"	23.996494
"1474882"	266.507797	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H+Na"	23.996494
"1066912"	178.007623333333	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2H+Na"	25.00377
"1266645"	542.052586	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+CH3OH+H"	33.033486
"383032"	1057.001358	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+K"	38.963158
"741111"	1566.020458	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+K"	38.963158
"1541705"	547.982258	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+K"	38.963158
"301432"	529.004317	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+H+K"	39.970434
"694582"	783.513867	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+H+K"	39.970434
"1447315"	274.494767	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H+K"	39.970434
"236639"	1060.072026	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+ACN+H"	42.033826
"1215191"	551.052926	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+ACN+H"	42.033826
"1195790"	276.030101	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+ACN+2H"	43.041102
"196329"	1063.00936	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+2Na-H"	44.97116
"633700"	1572.02846	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+2Na-H"	44.97116
"1138665"	553.99026	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2Na-H"	44.97116
"177214"	532.008318	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+2Na"	45.978436
"616775"	786.517868	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+2Na"	45.978436
"1123197"	277.498768	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2Na"	45.978436
"1405628"	185.334937333333	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H+2Na"	46.985712
"1437017"	556.031846	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H+HCOOH"	47.012746
"221972"	537.04134	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+3H2O+2H"	56.04448
"1511493"	570.08389	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+IsoProp+H"	61.06479
"410083"	539.995288	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+Na+K"	61.952376
"772901"	794.504838	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+Na+K"	61.952376
"1665950"	285.485738	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Na+K"	61.952376
"255393"	1082.053968	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+ACN+Na"	64.015768
"1232115"	573.034868	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+ACN+Na"	64.015768
"1719909"	573.058393	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+NH4+HCOOH"	64.039293
"1188544"	192.662251333333	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+3Na"	68.967654
"1659530"	578.013788	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Na+HCOOH"	68.994688
"165298"	1094.95724	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+2K-H"	76.91904
"602671"	1603.97634	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+2K-H"	76.91904
"1091556"	585.93814	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2K-H"	76.91904
"148374"	547.982258	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"2M+2K"	77.926316
"585746"	802.491808	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"3M+2K"	77.926316
"1076820"	293.472708	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2K"	77.926316
"1101531"	587.952692	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2K+H"	78.933592
"1337307"	588.040307	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+DMSO+H"	79.021207
"1014952"	592.079476	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2ACN+H"	83.060376
"1531986"	593.073108	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+IsoProp+Na+H"	84.054008
"998433"	296.543376	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+2ACN+2H"	84.067652
"1595121"	593.987728	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+K+HCOOH"	84.968628
"1422970"	624.019238	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+H+CF3COOH"	115.000138
"1153258"	317.056651	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+3ACN+2H"	125.094202
"1703907"	641.045785	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+NH4+CF3COOH"	132.026685
"1637370"	646.00118	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+Na+CF3COOH"	136.98208
"1586145"	661.97512	"C13756"	"Dicloxacillin sodium;Dicloxacillin sodium monohydrate"	"C19H16Cl2N3O5SNaH2O"	"509.0191"	"M+K+CF3COOH"	152.95602
"809952"	299.1342	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M"	0
"988950"	280.11581	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-H2O-H"	-19.01839
"76098"	198.415524	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M-3H"	-3.021828
"515661"	298.126924	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M-3H"	-3.021828
"892371"	98.704124	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-3H"	-3.021828
"8760"	298.126924	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M-2H"	-2.014552
"440668"	447.694024	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M-2H"	-2.014552
"818469"	148.559824	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-2H"	-2.014552
"86113"	597.261124	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M-H"	-1.007276
"520208"	896.395324	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M-H"	-1.007276
"898010"	298.126924	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-H"	-1.007276
"49102"	614.287671	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M-2H+NH4"	16.019271
"487483"	913.421871	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M-2H+NH4"	16.019271
"864761"	315.153471	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-2H+NH4"	16.019271
"32424"	619.243066	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M-2H+Na"	20.974666
"473929"	918.377266	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M-2H+Na"	20.974666
"855012"	320.108866	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-2H+Na"	20.974666
"1622358"	320.108866	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Na-2H"	20.974666
"102169"	316.115263	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M-H+Cl"	33.962126
"542824"	465.682363	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M-H+Cl"	33.962126
"941082"	166.548163	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-H+Cl"	33.962126
"277087"	633.237802	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+Cl"	34.969402
"672425"	932.372002	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+Cl"	34.969402
"1287139"	334.103602	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Cl"	34.969402
"31037"	635.217006	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M-2H+K"	36.948606
"470837"	934.351206	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M-2H+K"	36.948606
"846204"	336.082806	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-2H+K"	36.948606
"1570057"	336.082806	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+K-2H"	36.948606
"954658"	344.132394	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-H+HCOOH"	44.998194
"369228"	643.266601	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+HCOOH-H"	44.998201
"353112"	657.282251	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+Hac-H"	59.013851
"1498664"	358.148051	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Hac-H"	59.013851
"965109"	366.114351	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-H+NaCOOH"	66.980151
"119853"	334.103602	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+2Cl"	69.938804
"556860"	483.670702	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+2Cl"	69.938804
"1028941"	184.536502	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2Cl"	69.938804
"1254354"	378.053085	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Br"	78.918885
"1319603"	380.109072	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Cl+HCOOH"	80.974872
"1328466"	402.091029	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Cl+NaCOOH"	102.956829
"916606"	412.119786	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M-H+CF3COOH"	112.985586
"1297326"	448.096464	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Cl+CF3COOH"	148.962264
"1374759"	264.121524	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H-2H2O"	-35.012676
"1389705"	282.1315	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H-H2O"	-17.0027
"289393"	599.275676	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+H"	1.007276
"689472"	898.409876	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+H"	1.007276
"1360355"	300.141476	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H"	1.007276
"138346"	300.141476	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+2H"	2.014552
"570615"	449.708576	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+2H"	2.014552
"1039779"	150.574376	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2H"	2.014552
"213877"	200.430076	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+3H"	3.021828
"650158"	300.141476	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+3H"	3.021828
"1169377"	100.718676	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+3H"	3.021828
"430463"	616.302223	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+NH4"	18.033823
"789271"	915.436423	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+NH4"	18.033823
"1684508"	317.168023	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+NH4"	18.033823
"337158"	308.6547495	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+H+NH4"	19.041099
"724112"	458.2218495	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+H+NH4"	19.041099
"1485590"	159.0876495	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H+NH4"	19.041099
"395892"	621.257618	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+Na"	22.989218
"759806"	920.391818	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+Na"	22.989218
"1605350"	322.123418	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Na"	22.989218
"319032"	311.132447	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+H+Na"	23.996494
"711454"	460.699547	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+H+Na"	23.996494
"1470741"	161.565347	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H+Na"	23.996494
"1065079"	108.04599	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2H+Na"	25.00377
"1267850"	332.167686	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+CH3OH+H"	33.033486
"382050"	637.231558	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+K"	38.963158
"743045"	936.365758	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+K"	38.963158
"1544005"	338.097358	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+K"	38.963158
"304094"	319.119417	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+H+K"	39.970434
"693962"	468.686517	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+H+K"	39.970434
"1449241"	169.552317	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H+K"	39.970434
"238569"	640.302226	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+ACN+H"	42.033826
"1215300"	341.168026	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+ACN+H"	42.033826
"1195174"	171.087651	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+ACN+2H"	43.041102
"196439"	643.23956	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+2Na-H"	44.97116
"633810"	942.37376	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+2Na-H"	44.97116
"1137317"	344.10536	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2Na-H"	44.97116
"176961"	322.123418	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+2Na"	45.978436
"616156"	471.690518	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+2Na"	45.978436
"1124767"	172.556318	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2Na"	45.978436
"1403187"	115.373304	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H+2Na"	46.985712
"1433116"	346.146946	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H+HCOOH"	47.012746
"222446"	327.15644	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+3H2O+2H"	56.04448
"1515979"	360.19899	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+IsoProp+H"	61.06479
"412016"	330.110388	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+Na+K"	61.952376
"771919"	479.677488	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+Na+K"	61.952376
"1669342"	180.543288	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Na+K"	61.952376
"252949"	662.284168	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+ACN+Na"	64.015768
"1225783"	363.149968	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+ACN+Na"	64.015768
"1713821"	363.173493	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+NH4+HCOOH"	64.039293
"1185374"	122.700618	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+3Na"	68.967654
"1655266"	368.128888	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Na+HCOOH"	68.994688
"162128"	675.18744	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+2K-H"	76.91904
"604970"	974.32164	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+2K-H"	76.91904
"1088387"	376.05324	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2K-H"	76.91904
"144111"	338.097358	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"2M+2K"	77.926316
"582944"	487.664458	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"3M+2K"	77.926316
"1070372"	188.530258	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2K"	77.926316
"1102491"	378.067792	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2K+H"	78.933592
"1341064"	378.155407	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+DMSO+H"	79.021207
"1013968"	382.194576	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2ACN+H"	83.060376
"1534279"	383.188208	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+IsoProp+Na+H"	84.054008
"995261"	191.600926	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+2ACN+2H"	84.067652
"1589766"	384.102828	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+K+HCOOH"	84.968628
"1416520"	414.134338	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+H+CF3COOH"	115.000138
"1148996"	212.114201	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+3ACN+2H"	125.094202
"1701829"	431.160885	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+NH4+CF3COOH"	132.026685
"1636386"	436.11628	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+Na+CF3COOH"	136.98208
"1586255"	452.09022	"C13757"	"Saxitoxin"	"C10H17N7O4"	"299.1342"	"M+K+CF3COOH"	152.95602
"812253"	356.0984	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M"	0
"984692"	337.08001	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-H2O-H"	-19.01839
"71840"	236.391657333333	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M-3H"	-3.021828
"509214"	355.091124	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M-3H"	-3.021828
"885921"	117.692190666667	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-3H"	-3.021828
"5592"	355.091124	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M-2H"	-2.014552
"446244"	533.140324	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M-2H"	-2.014552
"820764"	177.041924	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-2H"	-2.014552
"79663"	711.189524	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M-H"	-1.007276
"521407"	1067.287924	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M-H"	-1.007276
"896776"	355.091124	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-H"	-1.007276
"48602"	728.216071	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M-2H+NH4"	16.019271
"489871"	1084.314471	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M-2H+NH4"	16.019271
"865485"	372.117671	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-2H+NH4"	16.019271
"31925"	733.171466	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M-2H+Na"	20.974666
"478415"	1089.269866	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M-2H+Na"	20.974666
"859864"	377.073066	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-2H+Na"	20.974666
"1632923"	377.073066	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Na-2H"	20.974666
"107751"	373.079463	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M-H+Cl"	33.962126
"548772"	551.128663	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M-H+Cl"	33.962126
"941071"	195.030263	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-H+Cl"	33.962126
"282062"	747.166202	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+Cl"	34.969402
"671803"	1103.264602	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+Cl"	34.969402
"1286393"	391.067802	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Cl"	34.969402
"29807"	749.145406	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M-2H+K"	36.948606
"470827"	1105.243806	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M-2H+K"	36.948606
"843033"	393.047006	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-2H+K"	36.948606
"1559962"	393.047006	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+K-2H"	36.948606
"948938"	401.096594	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-H+HCOOH"	44.998194
"370429"	757.195001	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+HCOOH-H"	44.998201
"353221"	771.210651	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+Hac-H"	59.013851
"1497682"	415.112251	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Hac-H"	59.013851
"964130"	423.078551	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-H+NaCOOH"	66.980151
"123613"	391.067802	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+2Cl"	69.938804
"561350"	569.117002	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+2Cl"	69.938804
"1035619"	213.018602	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2Cl"	69.938804
"1256293"	435.017285	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Br"	78.918885
"1319593"	437.073272	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Cl+HCOOH"	80.974872
"1333803"	459.055229	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Cl+NaCOOH"	102.956829
"924013"	469.083986	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M-H+CF3COOH"	112.985586
"1301451"	505.060664	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Cl+CF3COOH"	148.962264
"1376695"	321.085724	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H-2H2O"	-35.012676
"1387636"	339.0957	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H-H2O"	-17.0027
"289507"	713.204076	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+H"	1.007276
"686301"	1069.302476	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+H"	1.007276
"1366174"	357.105676	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H"	1.007276
"134447"	357.105676	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+2H"	2.014552
"568540"	535.154876	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+2H"	2.014552
"1039159"	179.056476	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2H"	2.014552
"208519"	238.406209333333	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+3H"	3.021828
"650269"	357.105676	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+3H"	3.021828
"1167301"	119.706742666667	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+3H"	3.021828
"429479"	730.230623	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+NH4"	18.033823
"789381"	1086.329023	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+NH4"	18.033823
"1683158"	374.132223	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+NH4"	18.033823
"344928"	365.6189495	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+H+NH4"	19.041099
"735166"	543.6681495	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+H+NH4"	19.041099
"1478779"	187.5697495	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H+NH4"	19.041099
"394177"	735.186018	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+Na"	22.989218
"757724"	1091.284418	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+Na"	22.989218
"1613478"	379.087618	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Na"	22.989218
"328981"	368.096647	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+H+Na"	23.996494
"713750"	546.145847	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+H+Na"	23.996494
"1470851"	190.047447	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H+Na"	23.996494
"1065187"	127.034056666667	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2H+Na"	25.00377
"1263585"	389.131886	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+CH3OH+H"	33.033486
"383256"	751.159958	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+K"	38.963158
"743158"	1107.258358	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+K"	38.963158
"1544117"	395.061558	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+K"	38.963158
"300563"	376.083617	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+H+K"	39.970434
"694810"	554.132817	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+H+K"	39.970434
"1447536"	198.034417	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H+K"	39.970434
"239420"	754.230626	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+ACN+H"	42.033826
"1210790"	398.132226	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+ACN+H"	42.033826
"1197840"	199.569751	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+ACN+2H"	43.041102
"193264"	757.16796	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+2Na-H"	44.97116
"632462"	1113.26636	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+2Na-H"	44.97116
"1137427"	401.06956	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2Na-H"	44.97116
"175977"	379.087618	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+2Na"	45.978436
"617361"	557.136818	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+2Na"	45.978436
"1119772"	201.038418	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2Na"	45.978436
"1400135"	134.361370666667	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H+2Na"	46.985712
"1430549"	403.111146	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H+HCOOH"	47.012746
"222556"	384.12064	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+3H2O+2H"	56.04448
"1513172"	417.16319	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+IsoProp+H"	61.06479
"415775"	387.074588	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+Na+K"	61.952376
"770936"	565.123788	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+Na+K"	61.952376
"1668001"	209.025388	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Na+K"	61.952376
"257440"	776.212568	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+ACN+Na"	64.015768
"1229419"	420.114168	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+ACN+Na"	64.015768
"1714297"	420.137693	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+NH4+HCOOH"	64.039293
"1179327"	141.688684666667	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+3Na"	68.967654
"1650635"	425.093088	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Na+HCOOH"	68.994688
"161146"	789.11584	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+2K-H"	76.91904
"602894"	1145.21424	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+2K-H"	76.91904
"1087045"	433.01744	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2K-H"	76.91904
"150423"	395.061558	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"2M+2K"	77.926316
"589254"	573.110758	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"3M+2K"	77.926316
"1077779"	217.012358	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2K"	77.926316
"1104789"	435.031992	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2K+H"	78.933592
"1345188"	435.119607	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+DMSO+H"	79.021207
"1015905"	439.158776	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2ACN+H"	83.060376
"1531112"	440.152408	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+IsoProp+Na+H"	84.054008
"997561"	220.083026	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+2ACN+2H"	84.067652
"1592063"	441.067028	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+K+HCOOH"	84.968628
"1415905"	471.098538	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+H+CF3COOH"	115.000138
"1149108"	240.596301	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+3ACN+2H"	125.094202
"1701942"	488.125085	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+NH4+CF3COOH"	132.026685
"1641968"	493.08048	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+Na+CF3COOH"	136.98208
"1586366"	509.05442	"C13758"	"Bay-K-8644;BayK8644"	"C16H15F3N2O4"	"356.0984"	"M+K+CF3COOH"	152.95602
"815638"	347.1521	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M"	0
"982615"	328.13371	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-H2O-H"	-19.01839
"66483"	230.427457333333	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M-3H"	-3.021828
"508232"	346.144824	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M-3H"	-3.021828
"884939"	114.710090666667	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-3H"	-3.021828
"6795"	346.144824	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M-2H"	-2.014552
"446354"	519.720874	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M-2H"	-2.014552
"823061"	172.568774	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-2H"	-2.014552
"80259"	693.296924	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M-H"	-1.007276
"519083"	1040.449024	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M-H"	-1.007276
"896071"	346.144824	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-H"	-1.007276
"48347"	710.323471	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M-2H+NH4"	16.019271
"489981"	1057.475571	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M-2H+NH4"	16.019271
"865833"	363.171371	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-2H+NH4"	16.019271
"31633"	715.278866	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M-2H+Na"	20.974666
"477431"	1062.430966	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M-2H+Na"	20.974666
"859609"	368.126766	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-2H+Na"	20.974666
"1633154"	368.126766	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Na-2H"	20.974666
"108954"	364.133163	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M-H+Cl"	33.962126
"549246"	537.709213	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M-H+Cl"	33.962126
"941910"	190.557113	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-H+Cl"	33.962126
"281929"	729.273602	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+Cl"	34.969402
"671913"	1076.425702	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+Cl"	34.969402
"1286505"	382.121502	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Cl"	34.969402
"30644"	731.252806	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M-2H+K"	36.948606
"466433"	1078.404906	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M-2H+K"	36.948606
"839864"	384.100706	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-2H+K"	36.948606
"1560073"	384.100706	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+K-2H"	36.948606
"953422"	392.150294	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-H+HCOOH"	44.998194
"374186"	739.302401	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+HCOOH-H"	44.998201
"353332"	753.318051	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+Hac-H"	59.013851
"1497792"	406.165951	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Hac-H"	59.013851
"964603"	414.132251	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-H+NaCOOH"	66.980151
"123358"	382.121502	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+2Cl"	69.938804
"561824"	555.697552	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+2Cl"	69.938804
"1035364"	208.545452	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2Cl"	69.938804
"1256732"	426.070985	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Br"	78.918885
"1319419"	428.126972	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Cl+HCOOH"	80.974872
"1334035"	450.108929	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Cl+NaCOOH"	102.956829
"926982"	460.137686	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M-H+CF3COOH"	112.985586
"1304038"	496.114364	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Cl+CF3COOH"	148.962264
"1378994"	312.139424	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H-2H2O"	-35.012676
"1391026"	330.1494	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H-H2O"	-17.0027
"287429"	695.311476	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+H"	1.007276
"682039"	1042.463576	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+H"	1.007276
"1360574"	348.159376	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H"	1.007276
"131278"	348.159376	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+2H"	2.014552
"576306"	521.735426	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+2H"	2.014552
"1047292"	174.583326	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2H"	2.014552
"207537"	232.442009333333	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+3H"	3.021828
"650379"	348.159376	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+3H"	3.021828
"1166318"	116.724642666667	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+3H"	3.021828
"428860"	712.338023	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+NH4"	18.033823
"791678"	1059.490123	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+NH4"	18.033823
"1683998"	365.185923	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+NH4"	18.033823
"330696"	356.6726495	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+H+NH4"	19.041099
"730901"	530.2486995	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+H+NH4"	19.041099
"1477792"	183.0965995	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H+NH4"	19.041099
"393679"	717.293418	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+Na"	22.989218
"756374"	1064.445518	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+Na"	22.989218
"1606663"	370.141318	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Na"	22.989218
"318887"	359.150347	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+H+Na"	23.996494
"710579"	532.726397	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+H+Na"	23.996494
"1465858"	185.574297	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H+Na"	23.996494
"1063112"	124.051956666667	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2H+Na"	25.00377
"1262602"	380.185586	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+CH3OH+H"	33.033486
"381180"	733.267358	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+K"	38.963158
"742175"	1080.419458	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+K"	38.963158
"1545321"	386.115258	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+K"	38.963158
"300673"	367.137317	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+H+K"	39.970434
"694920"	540.713367	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+H+K"	39.970434
"1448010"	193.561267	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H+K"	39.970434
"237344"	736.338026	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+ACN+H"	42.033826
"1211512"	389.185926	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+ACN+H"	42.033826
"1197950"	195.096601	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+ACN+2H"	43.041102
"193009"	739.27536	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+2Na-H"	44.97116
"637313"	1086.42746	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+2Na-H"	44.97116
"1137901"	392.12326	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2Na-H"	44.97116
"178273"	370.141318	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+2Na"	45.978436
"616376"	543.717368	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+2Na"	45.978436
"1122069"	196.565268	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2Na"	45.978436
"1399881"	131.379270666667	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H+2Na"	46.985712
"1430902"	394.164846	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H+HCOOH"	47.012746
"222666"	375.17434	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+3H2O+2H"	56.04448
"1512918"	408.21689	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+IsoProp+H"	61.06479
"414792"	378.128288	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+Na+K"	61.952376
"773598"	551.704338	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+Na+K"	61.952376
"1669935"	204.552238	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Na+K"	61.952376
"258644"	758.319968	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+ACN+Na"	64.015768
"1229165"	411.167868	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+ACN+Na"	64.015768
"1715135"	411.191393	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+NH4+HCOOH"	64.039293
"1179396"	138.706584666667	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+3Na"	68.967654
"1650744"	416.146788	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Na+HCOOH"	68.994688
"159068"	771.22324	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+2K-H"	76.91904
"606284"	1118.37534	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+2K-H"	76.91904
"1087155"	424.07114	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2K-H"	76.91904
"150897"	386.115258	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"2M+2K"	77.926316
"588271"	559.691308	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"3M+2K"	77.926316
"1076065"	212.539208	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2K"	77.926316
"1104899"	426.085692	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2K+H"	78.933592
"1342380"	426.173307	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+DMSO+H"	79.021207
"1012003"	430.212476	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2ACN+H"	83.060376
"1531222"	431.206108	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+IsoProp+Na+H"	84.054008
"997671"	215.609876	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+2ACN+2H"	84.067652
"1589986"	432.120728	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+K+HCOOH"	84.968628
"1416015"	462.152238	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+H+CF3COOH"	115.000138
"1152500"	236.123151	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+3ACN+2H"	125.094202
"1704239"	479.178785	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+NH4+CF3COOH"	132.026685
"1642078"	484.13418	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+Na+CF3COOH"	136.98208
"1586476"	500.10812	"C13759"	"FPL64176;Methyl-25-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate"	"C22H21NO3"	"347.1521"	"M+K+CF3COOH"	152.95602
"815994"	487.1663	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M"	0
"989908"	468.14791	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-H2O-H"	-19.01839
"76437"	323.770257333333	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M-3H"	-3.021828
"514904"	486.159024	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M-3H"	-3.021828
"894527"	161.381490666667	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-3H"	-3.021828
"12373"	486.159024	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M-2H"	-2.014552
"454122"	729.742174	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M-2H"	-2.014552
"827546"	242.575874	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-2H"	-2.014552
"86446"	973.325324	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M-H"	-1.007276
"522726"	1460.491624	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M-H"	-1.007276
"898340"	486.159024	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-H"	-1.007276
"50529"	990.351871	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M-2H+NH4"	16.019271
"488996"	1477.518171	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M-2H+NH4"	16.019271
"865338"	503.185571	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-2H+NH4"	16.019271
"32871"	995.307266	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M-2H+Na"	20.974666
"474261"	1482.473566	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M-2H+Na"	20.974666
"860813"	508.140966	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-2H+Na"	20.974666
"1632170"	508.140966	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Na-2H"	20.974666
"107973"	504.147363	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M-H+Cl"	33.962126
"548629"	747.730513	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M-H+Cl"	33.962126
"941900"	260.564213	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-H+Cl"	33.962126
"281790"	1009.302002	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+Cl"	34.969402
"675230"	1496.468302	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+Cl"	34.969402
"1285523"	522.135702	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Cl"	34.969402
"28444"	1011.281206	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M-2H+K"	36.948606
"471355"	1498.447506	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M-2H+K"	36.948606
"844351"	524.114906	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-2H+K"	36.948606
"1571084"	524.114906	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+K-2H"	36.948606
"958237"	532.164494	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-H+HCOOH"	44.998194
"371746"	1019.330801	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+HCOOH-H"	44.998201
"355268"	1033.346451	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+Hac-H"	59.013851
"1504466"	546.180151	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Hac-H"	59.013851
"967998"	554.146451	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-H+NaCOOH"	66.980151
"123468"	522.135702	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+2Cl"	69.938804
"564853"	765.718852	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+2Cl"	69.938804
"1036571"	278.552552	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2Cl"	69.938804
"1256514"	566.085185	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Br"	78.918885
"1319449"	568.141172	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Cl+HCOOH"	80.974872
"1335496"	590.123129	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Cl+NaCOOH"	102.956829
"926063"	600.151886	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M-H+CF3COOH"	112.985586
"1302039"	636.128564	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Cl+CF3COOH"	148.962264
"1381660"	452.153624	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H-2H2O"	-35.012676
"1395511"	470.1636	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H-H2O"	-17.0027
"294104"	975.339876	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+H"	1.007276
"686525"	1462.506176	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+H"	1.007276
"1361779"	488.173576	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H"	1.007276
"131388"	488.173576	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+2H"	2.014552
"567666"	731.756726	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+2H"	2.014552
"1037435"	244.590426	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2H"	2.014552
"205825"	325.784809333333	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+3H"	3.021828
"649396"	488.173576	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+3H"	3.021828
"1167521"	163.396042666667	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+3H"	3.021828
"431888"	992.366423	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+NH4"	18.033823
"791789"	1479.532723	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+NH4"	18.033823
"1685204"	505.200123	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+NH4"	18.033823
"334212"	496.6868495	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+H+NH4"	19.041099
"731012"	740.2699995	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+H+NH4"	19.041099
"1482649"	253.1036995	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H+NH4"	19.041099
"400237"	997.321818	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+Na"	22.989218
"760136"	1484.488118	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+Na"	22.989218
"1610423"	510.155518	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Na"	22.989218
"319365"	499.164547	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+H+Na"	23.996494
"709232"	742.747697	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+H+Na"	23.996494
"1464511"	255.581397	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H+Na"	23.996494
"1059943"	170.723356666667	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2H+Na"	25.00377
"1263809"	520.199786	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+CH3OH+H"	33.033486
"384571"	1013.295758	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+K"	38.963158
"745565"	1500.462058	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+K"	38.963158
"1544338"	526.129458	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+K"	38.963158
"300054"	507.151517	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+H+K"	39.970434
"696124"	750.734667	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+H+K"	39.970434
"1446660"	263.568367	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H+K"	39.970434
"239640"	1016.366426	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+ACN+H"	42.033826
"1221104"	529.200126	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+ACN+H"	42.033826
"1202801"	265.103701	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+ACN+2H"	43.041102
"197859"	1019.30376	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+2Na-H"	44.97116
"633410"	1506.47006	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+2Na-H"	44.97116
"1138010"	532.13746	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2Na-H"	44.97116
"173642"	510.155518	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+2Na"	45.978436
"614538"	753.738668	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+2Na"	45.978436
"1118898"	266.572368	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2Na"	45.978436
"1400600"	178.050670666667	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H+2Na"	46.985712
"1434903"	534.179046	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H+HCOOH"	47.012746
"223870"	515.18854	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+3H2O+2H"	56.04448
"1517404"	548.23109	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+IsoProp+H"	61.06479
"419277"	518.142488	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+Na+K"	61.952376
"778085"	761.725638	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+Na+K"	61.952376
"1669314"	274.559338	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Na+K"	61.952376
"260941"	1038.348368	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+ACN+Na"	64.015768
"1232921"	551.182068	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+ACN+Na"	64.015768
"1715611"	551.205593	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+NH4+HCOOH"	64.039293
"1179263"	185.377984666667	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+3Na"	68.967654
"1651344"	556.160988	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Na+HCOOH"	68.994688
"162094"	1051.25164	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+2K-H"	76.91904
"602748"	1538.41794	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+2K-H"	76.91904
"1093098"	564.08534	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2K-H"	76.91904
"151007"	526.129458	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"2M+2K"	77.926316
"591661"	769.712608	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"3M+2K"	77.926316
"1081646"	282.546308	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2K"	77.926316
"1105010"	566.099892	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2K+H"	78.933592
"1348688"	566.187507	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+DMSO+H"	79.021207
"1017946"	570.226676	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2ACN+H"	83.060376
"1535706"	571.220308	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+IsoProp+Na+H"	84.054008
"997782"	285.616976	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+2ACN+2H"	84.067652
"1592284"	572.134928	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+K+HCOOH"	84.968628
"1419038"	602.166438	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+H+CF3COOH"	115.000138
"1149328"	306.130251	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+3ACN+2H"	125.094202
"1704348"	619.192985	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+NH4+CF3COOH"	132.026685
"1645468"	624.14838	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+Na+CF3COOH"	136.98208
"1586586"	640.12232	"C13760"	"YC 170"	"C28H26ClN3O3"	"487.1663"	"M+K+CF3COOH"	152.95602
"807110"	365.1075	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M"	0
"982833"	346.08911	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-H2O-H"	-19.01839
"76547"	242.397724	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M-3H"	-3.021828
"513920"	364.100224	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M-3H"	-3.021828
"893907"	120.695224	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-3H"	-3.021828
"12483"	364.100224	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M-2H"	-2.014552
"455082"	546.653974	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M-2H"	-2.014552
"827655"	181.546474	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-2H"	-2.014552
"83276"	729.207724	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M-H"	-1.007276
"522836"	1094.315224	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M-H"	-1.007276
"898814"	364.100224	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-H"	-1.007276
"51732"	746.234271	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M-2H+NH4"	16.019271
"488376"	1111.341771	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M-2H+NH4"	16.019271
"866906"	381.126771	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-2H+NH4"	16.019271
"33713"	751.189666	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M-2H+Na"	20.974666
"471814"	1116.297166	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M-2H+Na"	20.974666
"856549"	386.082166	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-2H+Na"	20.974666
"1631187"	386.082166	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Na-2H"	20.974666
"108812"	382.088563	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M-H+Cl"	33.962126
"548740"	564.642313	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M-H+Cl"	33.962126
"942131"	199.534813	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-H+Cl"	33.962126
"280443"	765.184402	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+Cl"	34.969402
"674934"	1130.291902	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+Cl"	34.969402
"1284540"	400.076902	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Cl"	34.969402
"28189"	767.163606	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M-2H+K"	36.948606
"471257"	1132.271106	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M-2H+K"	36.948606
"842274"	402.056106	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-2H+K"	36.948606
"1566859"	402.056106	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+K-2H"	36.948606
"955469"	410.105694	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-H+HCOOH"	44.998194
"372948"	775.213201	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+HCOOH-H"	44.998201
"355742"	789.228851	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+Hac-H"	59.013851
"1503847"	424.121351	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Hac-H"	59.013851
"969567"	432.087651	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-H+NaCOOH"	66.980151
"120297"	400.076902	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+2Cl"	69.938804
"564234"	582.630652	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+2Cl"	69.938804
"1036802"	217.523152	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2Cl"	69.938804
"1256260"	444.026385	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Br"	78.918885
"1319727"	446.082372	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Cl+HCOOH"	80.974872
"1335113"	468.064329	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Cl+NaCOOH"	102.956829
"926534"	478.093086	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M-H+CF3COOH"	112.985586
"1303931"	514.069764	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Cl+CF3COOH"	148.962264
"1382134"	330.094824	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H-2H2O"	-35.012676
"1395621"	348.1048	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H-H2O"	-17.0027
"293119"	731.222276	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+H"	1.007276
"689794"	1096.329776	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+H"	1.007276
"1364077"	366.114776	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H"	1.007276
"138059"	366.114776	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+2H"	2.014552
"568871"	548.668526	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+2H"	2.014552
"1037424"	183.561026	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2H"	2.014552
"206299"	244.412276	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+3H"	3.021828
"649506"	366.114776	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+3H"	3.021828
"1168725"	122.709776	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+3H"	3.021828
"433092"	748.248823	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+NH4"	18.033823
"792993"	1113.356323	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+NH4"	18.033823
"1685678"	383.141323	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+NH4"	18.033823
"337602"	374.6280495	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+H+NH4"	19.041099
"728205"	557.1817995	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+H+NH4"	19.041099
"1483852"	192.0742995	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H+NH4"	19.041099
"400347"	753.204218	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+Na"	22.989218
"761340"	1118.311718	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+Na"	22.989218
"1610533"	388.096718	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Na"	22.989218
"319475"	377.105747	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+H+Na"	23.996494
"708613"	559.659497	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+H+Na"	23.996494
"1468996"	194.551997	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H+Na"	23.996494
"1060054"	130.03709	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2H+Na"	25.00377
"1260272"	398.140986	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+CH3OH+H"	33.033486
"380308"	769.178158	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+K"	38.963158
"745677"	1134.285658	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+K"	38.963158
"1544447"	404.070658	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+K"	38.963158
"300528"	385.092717	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+H+K"	39.970434
"696234"	567.646467	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+H+K"	39.970434
"1446040"	202.538967	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H+K"	39.970434
"239750"	772.248826	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+ACN+H"	42.033826
"1216110"	407.141326	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+ACN+H"	42.033826
"1202911"	204.074301	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+ACN+2H"	43.041102
"200156"	775.18616	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+2Na-H"	44.97116
"632427"	1140.29366	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+2Na-H"	44.97116
"1138120"	410.07866	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2Na-H"	44.97116
"173752"	388.096718	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+2Na"	45.978436
"614527"	570.650468	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+2Na"	45.978436
"1119008"	205.542968	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2Na"	45.978436
"1400710"	137.364404	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H+2Na"	46.985712
"1433921"	412.120246	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H+HCOOH"	47.012746
"223616"	393.12974	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+3H2O+2H"	56.04448
"1517514"	426.17229	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+IsoProp+H"	61.06479
"419387"	396.083688	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+Na+K"	61.952376
"779288"	578.637438	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+Na+K"	61.952376
"1668330"	213.529938	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Na+K"	61.952376
"258135"	794.230768	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+ACN+Na"	64.015768
"1230115"	429.123268	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+ACN+Na"	64.015768
"1713653"	429.146793	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+NH4+HCOOH"	64.039293
"1182533"	144.691718	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+3Na"	68.967654
"1650968"	434.102188	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Na+HCOOH"	68.994688
"161474"	807.13404	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+2K-H"	76.91904
"603223"	1172.24154	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+2K-H"	76.91904
"1093208"	442.02654	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2K-H"	76.91904
"147837"	404.070658	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"2M+2K"	77.926316
"591407"	586.624408	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"3M+2K"	77.926316
"1081389"	221.516908	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2K"	77.926316
"1105120"	444.041092	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2K+H"	78.933592
"1344788"	444.128707	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+DMSO+H"	79.021207
"1015504"	448.167876	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2ACN+H"	83.060376
"1534359"	449.161508	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+IsoProp+Na+H"	84.054008
"996799"	224.587576	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+2ACN+2H"	84.067652
"1590208"	450.076128	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+K+HCOOH"	84.968628
"1416962"	480.107638	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+H+CF3COOH"	115.000138
"1148345"	245.100851	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+3ACN+2H"	125.094202
"1703365"	497.134185	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+NH4+CF3COOH"	132.026685
"1645578"	502.08958	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+Na+CF3COOH"	136.98208
"1586696"	518.06352	"C13761"	"CGP 28-392;CGP 28 392"	"C18H17F2NO5"	"365.1075"	"M+K+CF3COOH"	152.95602
"807220"	358.1277	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M"	0
"982943"	339.10931	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-H2O-H"	-19.01839
"76657"	237.744524	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M-3H"	-3.021828
"514030"	357.120424	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M-3H"	-3.021828
"894017"	118.368624	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-3H"	-3.021828
"9313"	357.120424	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M-2H"	-2.014552
"452882"	536.184274	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M-2H"	-2.014552
"824485"	178.056574	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-2H"	-2.014552
"83386"	715.248124	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M-H"	-1.007276
"522946"	1073.375824	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M-H"	-1.007276
"896040"	357.120424	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-H"	-1.007276
"48925"	732.274671	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M-2H+NH4"	16.019271
"487507"	1090.402371	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M-2H+NH4"	16.019271
"864827"	374.146971	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-2H+NH4"	16.019271
"33092"	737.230066	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M-2H+Na"	20.974666
"471962"	1095.357766	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M-2H+Na"	20.974666
"851554"	379.102366	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-2H+Na"	20.974666
"1631176"	379.102366	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Na-2H"	20.974666
"108559"	375.108763	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M-H+Cl"	33.962126
"546659"	554.172613	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M-H+Cl"	33.962126
"940419"	196.044913	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-H+Cl"	33.962126
"279703"	751.224802	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+Cl"	34.969402
"673826"	1109.352502	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+Cl"	34.969402
"1285379"	393.097102	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Cl"	34.969402
"27206"	753.204006	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M-2H+K"	36.948606
"467496"	1111.331706	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M-2H+K"	36.948606
"840197"	395.076306	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-2H+K"	36.948606
"1568789"	395.076306	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+K-2H"	36.948606
"954486"	403.125894	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-H+HCOOH"	44.998194
"370871"	761.253601	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+HCOOH-H"	44.998201
"355851"	775.269251	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+Hac-H"	59.013851
"1502134"	417.141551	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Hac-H"	59.013851
"967854"	425.107851	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-H+NaCOOH"	66.980151
"116762"	393.097102	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+2Cl"	69.938804
"562520"	572.160952	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+2Cl"	69.938804
"1036425"	214.033252	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2Cl"	69.938804
"1256578"	437.046585	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Br"	78.918885
"1318938"	439.102572	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Cl+HCOOH"	80.974872
"1335387"	461.084529	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Cl+NaCOOH"	102.956829
"926767"	471.113286	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M-H+CF3COOH"	112.985586
"1304032"	507.089964	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Cl+CF3COOH"	148.962264
"1378236"	323.115024	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H-2H2O"	-35.012676
"1396096"	341.125	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H-H2O"	-17.0027
"292136"	717.262676	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+H"	1.007276
"688932"	1075.390376	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+H"	1.007276
"1363094"	359.134976	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H"	1.007276
"134889"	359.134976	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+2H"	2.014552
"567888"	538.198826	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+2H"	2.014552
"1039236"	180.071126	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2H"	2.014552
"207502"	239.759076	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+3H"	3.021828
"646333"	359.134976	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+3H"	3.021828
"1165553"	120.383176	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+3H"	3.021828
"431014"	734.289223	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+NH4"	18.033823
"792008"	1092.416923	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+NH4"	18.033823
"1689431"	376.161523	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+NH4"	18.033823
"334431"	367.6482495	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+H+NH4"	19.041099
"729408"	546.7120995	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+H+NH4"	19.041099
"1482140"	188.5843995	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H+NH4"	19.041099
"395718"	739.244618	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+Na"	22.989218
"761450"	1097.372318	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+Na"	22.989218
"1607363"	381.116918	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Na"	22.989218
"318492"	370.125947	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+H+Na"	23.996494
"708722"	549.189797	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+H+Na"	23.996494
"1469106"	191.062097	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H+Na"	23.996494
"1059071"	127.71049	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2H+Na"	25.00377
"1260748"	391.161186	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+CH3OH+H"	33.033486
"379325"	755.218558	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+K"	38.963158
"743600"	1113.346258	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+K"	38.963158
"1544557"	397.090858	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+K"	38.963158
"300639"	378.112917	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+H+K"	39.970434
"695250"	557.176767	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+H+K"	39.970434
"1446515"	199.049067	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H+K"	39.970434
"239860"	758.289226	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+ACN+H"	42.033826
"1215491"	400.161526	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+ACN+H"	42.033826
"1200468"	200.584401	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+ACN+2H"	43.041102
"196255"	761.22656	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+2Na-H"	44.97116
"629619"	1119.35426	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+2Na-H"	44.97116
"1131425"	403.09886	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2Na-H"	44.97116
"173618"	381.116918	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+2Na"	45.978436
"613378"	560.180768	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+2Na"	45.978436
"1116565"	202.053068	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2Na"	45.978436
"1407748"	135.037804	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H+2Na"	46.985712
"1434031"	405.140446	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H+HCOOH"	47.012746
"224090"	386.14994	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+3H2O+2H"	56.04448
"1515436"	419.19249	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+IsoProp+H"	61.06479
"419497"	389.103888	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+Na+K"	61.952376
"779398"	568.167738	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+Na+K"	61.952376
"1668076"	210.040038	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Na+K"	61.952376
"258609"	780.271168	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+ACN+Na"	64.015768
"1231318"	422.143468	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+ACN+Na"	64.015768
"1715095"	422.166993	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+NH4+HCOOH"	64.039293
"1178748"	142.365118	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+3Na"	68.967654
"1651078"	427.122388	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Na+HCOOH"	68.994688
"161584"	793.17444	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+2K-H"	76.91904
"600780"	1151.30214	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+2K-H"	76.91904
"1093318"	435.04674	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2K-H"	76.91904
"147947"	397.090858	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"2M+2K"	77.926316
"590424"	576.154708	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"3M+2K"	77.926316
"1081499"	218.027008	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2K"	77.926316
"1105230"	437.061292	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2K+H"	78.933592
"1344898"	437.148907	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+DMSO+H"	79.021207
"1015614"	441.188076	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2ACN+H"	83.060376
"1534833"	442.181708	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+IsoProp+Na+H"	84.054008
"995816"	221.097676	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+2ACN+2H"	84.067652
"1590318"	443.096328	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+K+HCOOH"	84.968628
"1417072"	473.127838	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+H+CF3COOH"	115.000138
"1148455"	241.610951	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+3ACN+2H"	125.094202
"1705661"	490.154385	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+NH4+CF3COOH"	132.026685
"1645688"	495.10978	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+Na+CF3COOH"	136.98208
"1586806"	511.08372	"C13762"	"202-791;PN 202-791"	"C17H18N4O5"	"358.1277"	"M+K+CF3COOH"	152.95602
"807330"	424.2726	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M"	0
"984146"	405.25421	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-H2O-H"	-19.01839
"77621"	281.841124	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M-3H"	-3.021828
"516327"	423.265324	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M-3H"	-3.021828
"894127"	140.416924	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-3H"	-3.021828
"13797"	423.265324	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M-2H"	-2.014552
"455304"	635.401624	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M-2H"	-2.014552
"826783"	211.129024	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-2H"	-2.014552
"90056"	847.537924	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M-H"	-1.007276
"528523"	1271.810524	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M-H"	-1.007276
"905231"	423.265324	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-H"	-1.007276
"56326"	864.564471	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M-2H+NH4"	16.019271
"487866"	1288.837071	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M-2H+NH4"	16.019271
"865182"	440.291871	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-2H+NH4"	16.019271
"32353"	869.519866	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M-2H+Na"	20.974666
"474591"	1293.792466	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M-2H+Na"	20.974666
"855676"	445.247266	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-2H+Na"	20.974666
"1632501"	445.247266	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Na-2H"	20.974666
"108188"	441.253663	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M-H+Cl"	33.962126
"546769"	653.389963	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M-H+Cl"	33.962126
"937003"	229.117363	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-H+Cl"	33.962126
"279935"	883.514602	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+Cl"	34.969402
"671264"	1307.787202	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+Cl"	34.969402
"1283666"	459.242002	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Cl"	34.969402
"30355"	885.493806	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M-2H+K"	36.948606
"469795"	1309.766406	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M-2H+K"	36.948606
"845777"	461.221206	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-2H+K"	36.948606
"1567079"	461.221206	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+K-2H"	36.948606
"952775"	469.270794	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-H+HCOOH"	44.998194
"368799"	893.543401	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+HCOOH-H"	44.998201
"352684"	907.559051	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+Hac-H"	59.013851
"1503703"	483.286451	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Hac-H"	59.013851
"966872"	491.252751	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-H+NaCOOH"	66.980151
"117967"	459.242002	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+2Cl"	69.938804
"560444"	671.378302	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+2Cl"	69.938804
"1036534"	247.105702	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2Cl"	69.938804
"1256483"	503.191485	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Br"	78.918885
"1317830"	505.247472	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Cl+HCOOH"	80.974872
"1334965"	527.229429	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Cl+NaCOOH"	102.956829
"925659"	537.258186	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M-H+CF3COOH"	112.985586
"1302369"	573.234864	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Cl+CF3COOH"	148.962264
"1379438"	389.259924	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H-2H2O"	-35.012676
"1394749"	407.2699	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H-H2O"	-17.0027
"288968"	849.552476	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+H"	1.007276
"686856"	1273.825076	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+H"	1.007276
"1359924"	425.279876	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H"	1.007276
"134999"	425.279876	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+2H"	2.014552
"572372"	637.416176	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+2H"	2.014552
"1048827"	213.143576	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2H"	2.014552
"218914"	283.855676	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+3H"	3.021828
"659693"	425.279876	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+3H"	3.021828
"1175507"	142.431476	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+3H"	3.021828
"438780"	866.579023	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+NH4"	18.033823
"797586"	1290.851623	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+NH4"	18.033823
"1691729"	442.306423	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+NH4"	18.033823
"341101"	433.7931495	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+H+NH4"	19.041099
"736808"	645.9294495	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+H+NH4"	19.041099
"1479698"	221.6568495	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H+NH4"	19.041099
"396194"	871.534418	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+Na"	22.989218
"755602"	1295.807018	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+Na"	22.989218
"1605647"	447.261818	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Na"	22.989218
"317872"	436.270847	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+H+Na"	23.996494
"721957"	648.407147	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+H+Na"	23.996494
"1467029"	224.134547	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H+Na"	23.996494
"1057356"	149.75879	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2H+Na"	25.00377
"1260130"	457.306086	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+CH3OH+H"	33.033486
"380529"	887.508358	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+K"	38.963158
"744801"	1311.780958	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+K"	38.963158
"1544670"	463.235758	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+K"	38.963158
"304033"	444.257817	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+H+K"	39.970434
"696456"	656.394117	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+H+K"	39.970434
"1448087"	232.121517	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H+K"	39.970434
"239970"	890.579026	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+ACN+H"	42.033826
"1217060"	466.306426	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+ACN+H"	42.033826
"1203130"	233.656851	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+ACN+2H"	43.041102
"196003"	893.51636	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+2Na-H"	44.97116
"630460"	1317.78896	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+2Na-H"	44.97116
"1133601"	469.24376	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2Na-H"	44.97116
"174824"	447.261818	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+2Na"	45.978436
"619366"	659.398118	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+2Na"	45.978436
"1118863"	235.125518	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2Na"	45.978436
"1406765"	157.086104	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H+2Na"	46.985712
"1440340"	471.285346	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H+HCOOH"	47.012746
"226389"	452.29484	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+3H2O+2H"	56.04448
"1513358"	485.33739	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+IsoProp+H"	61.06479
"417420"	455.248788	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+Na+K"	61.952376
"779509"	667.385088	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+Na+K"	61.952376
"1669279"	243.112488	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Na+K"	61.952376
"259447"	912.560968	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+ACN+Na"	64.015768
"1228876"	488.288368	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+ACN+Na"	64.015768
"1718127"	488.311893	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+NH4+HCOOH"	64.039293
"1181295"	164.413418	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+3Na"	68.967654
"1650132"	493.267288	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Na+HCOOH"	68.994688
"163154"	925.46424	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+2K-H"	76.91904
"603807"	1349.73684	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+2K-H"	76.91904
"1090147"	501.19164	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2K-H"	76.91904
"144777"	463.235758	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"2M+2K"	77.926316
"592722"	675.372058	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"3M+2K"	77.926316
"1083068"	251.099458	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2K"	77.926316
"1106433"	503.206192	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2K+H"	78.933592
"1338448"	503.293807	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+DMSO+H"	79.021207
"1012444"	507.332976	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2ACN+H"	83.060376
"1529475"	508.326608	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+IsoProp+Na+H"	84.054008
"995924"	254.170126	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+2ACN+2H"	84.067652
"1594802"	509.241228	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+K+HCOOH"	84.968628
"1417182"	539.272738	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+H+CF3COOH"	115.000138
"1151846"	274.683401	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+3ACN+2H"	125.094202
"1703585"	556.299285	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+NH4+CF3COOH"	132.026685
"1638143"	561.25468	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+Na+CF3COOH"	136.98208
"1586916"	577.22862	"C13763"	"Devapamil"	"C26H36N2O3"	"424.2726"	"M+K+CF3COOH"	152.95602
"808533"	484.2937	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M"	0
"984255"	465.27531	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-H2O-H"	-19.01839
"67030"	321.855190666667	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M-3H"	-3.021828
"510966"	483.286424	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M-3H"	-3.021828
"892050"	160.423957333333	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-3H"	-3.021828
"13907"	483.286424	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M-2H"	-2.014552
"454927"	725.433274	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M-2H"	-2.014552
"824706"	241.139574	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-2H"	-2.014552
"90166"	967.580124	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M-H"	-1.007276
"524260"	1451.873824	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M-H"	-1.007276
"900238"	483.286424	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-H"	-1.007276
"56436"	984.606671	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M-2H+NH4"	16.019271
"487852"	1468.900371	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M-2H+NH4"	16.019271
"865292"	500.312971	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-2H+NH4"	16.019271
"32584"	989.562066	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M-2H+Na"	20.974666
"474701"	1473.855766	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M-2H+Na"	20.974666
"855786"	505.268366	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-2H+Na"	20.974666
"1631881"	505.268366	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Na-2H"	20.974666
"108170"	501.274763	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M-H+Cl"	33.962126
"548825"	743.421613	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M-H+Cl"	33.962126
"941245"	259.127913	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-H+Cl"	33.962126
"274577"	1003.556802	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+Cl"	34.969402
"673440"	1487.850502	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+Cl"	34.969402
"1283777"	519.263102	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Cl"	34.969402
"21959"	1005.536006	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M-2H+K"	36.948606
"465894"	1489.829706	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M-2H+K"	36.948606
"842603"	521.242306	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-2H+K"	36.948606
"1566825"	521.242306	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+K-2H"	36.948606
"953978"	529.291894	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-H+HCOOH"	44.998194
"366722"	1013.585601	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+HCOOH-H"	44.998201
"349514"	1027.601251	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+Hac-H"	59.013851
"1496157"	543.307551	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Hac-H"	59.013851
"965888"	551.273851	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-H+NaCOOH"	66.980151
"110209"	519.263102	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+2Cl"	69.938804
"553264"	761.409952	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+2Cl"	69.938804
"1035186"	277.116252	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2Cl"	69.938804
"1254399"	563.212585	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Br"	78.918885
"1315024"	565.268572	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Cl+HCOOH"	80.974872
"1333981"	587.250529	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Cl+NaCOOH"	102.956829
"923582"	597.279286	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M-H+CF3COOH"	112.985586
"1302115"	633.255964	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Cl+CF3COOH"	148.962264
"1378091"	449.281024	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H-2H2O"	-35.012676
"1394495"	467.291	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H-H2O"	-17.0027
"289078"	969.594676	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+H"	1.007276
"688059"	1453.888376	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+H"	1.007276
"1360034"	485.300976	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H"	1.007276
"135109"	485.300976	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+2H"	2.014552
"574669"	727.447826	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+2H"	2.014552
"1048937"	243.154126	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2H"	2.014552
"219024"	323.869742666667	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+3H"	3.021828
"657491"	485.300976	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+3H"	3.021828
"1174522"	162.438509333333	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+3H"	3.021828
"435610"	986.621223	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+NH4"	18.033823
"788949"	1470.914923	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+NH4"	18.033823
"1688559"	502.327523	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+NH4"	18.033823
"332464"	493.8142495	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+H+NH4"	19.041099
"734731"	735.9610995	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+H+NH4"	19.041099
"1479808"	251.6673995	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H+NH4"	19.041099
"398490"	991.576618	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+Na"	22.989218
"756201"	1475.870318	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+Na"	22.989218
"1608675"	507.282918	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Na"	22.989218
"319805"	496.291947	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+H+Na"	23.996494
"715504"	738.438797	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+H+Na"	23.996494
"1467139"	254.145097	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H+Na"	23.996494
"1058196"	169.765823333333	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2H+Na"	25.00377
"1258904"	517.327186	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+CH3OH+H"	33.033486
"380640"	1007.550558	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+K"	38.963158
"744912"	1491.844258	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+K"	38.963158
"1542959"	523.256858	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+K"	38.963158
"303415"	504.278917	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+H+K"	39.970434
"696566"	746.425767	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+H+K"	39.970434
"1451477"	262.132067	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H+K"	39.970434
"238987"	1010.621226	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+ACN+H"	42.033826
"1217171"	526.327526	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+ACN+H"	42.033826
"1203240"	263.667401	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+ACN+2H"	43.041102
"199393"	1013.55856	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+2Na-H"	44.97116
"631299"	1497.85226	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+2Na-H"	44.97116
"1135169"	529.26486	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2Na-H"	44.97116
"174690"	507.282918	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+2Na"	45.978436
"614250"	749.429768	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+2Na"	45.978436
"1119337"	265.136068	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2Na"	45.978436
"1402498"	177.093137333333	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H+2Na"	46.985712
"1435709"	531.306446	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H+HCOOH"	47.012746
"226499"	512.31594	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+3H2O+2H"	56.04448
"1516748"	545.35849	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+IsoProp+H"	61.06479
"418623"	515.269888	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+Na+K"	61.952376
"779619"	757.416738	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+Na+K"	61.952376
"1668296"	273.123038	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Na+K"	61.952376
"261381"	1032.603168	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+ACN+Na"	64.015768
"1231538"	548.309468	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+ACN+Na"	64.015768
"1714226"	548.332993	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+NH4+HCOOH"	64.039293
"1179701"	184.420451333333	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+3Na"	68.967654
"1652752"	553.288388	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Na+HCOOH"	68.994688
"158886"	1045.50644	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+2K-H"	76.91904
"598448"	1529.80014	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+2K-H"	76.91904
"1086607"	561.21274	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2K-H"	76.91904
"143424"	523.256858	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"2M+2K"	77.926316
"585538"	765.403708	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"3M+2K"	77.926316
"1071143"	281.110008	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2K"	77.926316
"1105450"	563.227292	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2K+H"	78.933592
"1338556"	563.314907	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+DMSO+H"	79.021207
"1012553"	567.354076	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2ACN+H"	83.060376
"1533595"	568.347708	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+IsoProp+Na+H"	84.054008
"1000406"	284.180676	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+2ACN+2H"	84.067652
"1589445"	569.262328	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+K+HCOOH"	84.968628
"1417291"	599.293838	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+H+CF3COOH"	115.000138
"1149767"	304.693951	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+3ACN+2H"	125.094202
"1700412"	616.320385	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+NH4+CF3COOH"	132.026685
"1636062"	621.27578	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+Na+CF3COOH"	136.98208
"1572440"	637.24972	"C13764"	"Gallopamil"	"C28H40N2O5"	"484.2937"	"M+K+CF3COOH"	152.95602
"807550"	555.1961	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M"	0
"981085"	536.17771	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-H2O-H"	-19.01839
"67140"	369.123457333333	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M-3H"	-3.021828
"505609"	554.188824	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M-3H"	-3.021828
"892160"	184.058090666667	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-3H"	-3.021828
"14019"	554.188824	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M-2H"	-2.014552
"455485"	831.786874	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M-2H"	-2.014552
"824816"	276.590774	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-2H"	-2.014552
"90276"	1109.384924	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M-H"	-1.007276
"524370"	1664.581024	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M-H"	-1.007276
"902172"	554.188824	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-H"	-1.007276
"49986"	1126.411471	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M-2H+NH4"	16.019271
"488328"	1681.607571	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M-2H+NH4"	16.019271
"866376"	571.215371	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-2H+NH4"	16.019271
"32694"	1131.366866	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M-2H+Na"	20.974666
"472258"	1686.562966	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M-2H+Na"	20.974666
"856989"	576.170766	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-2H+Na"	20.974666
"1630898"	576.170766	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Na-2H"	20.974666
"108280"	572.177163	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M-H+Cl"	33.962126
"549056"	849.775213	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M-H+Cl"	33.962126
"941476"	294.579113	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-H+Cl"	33.962126
"274687"	1145.361602	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+Cl"	34.969402
"673671"	1700.557702	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+Cl"	34.969402
"1283887"	590.165502	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Cl"	34.969402
"22069"	1147.340806	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M-2H+K"	36.948606
"467097"	1702.536906	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M-2H+K"	36.948606
"842713"	592.144706	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-2H+K"	36.948606
"1569121"	592.144706	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+K-2H"	36.948606
"952994"	600.194294	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-H+HCOOH"	44.998194
"366832"	1155.390401	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+HCOOH-H"	44.998201
"346706"	1169.406051	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+Hac-H"	59.013851
"1496267"	614.209951	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Hac-H"	59.013851
"960651"	622.176251	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-H+NaCOOH"	66.980151
"110522"	590.165502	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+2Cl"	69.938804
"550571"	867.763552	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+2Cl"	69.938804
"1027640"	312.567452	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2Cl"	69.938804
"1253780"	634.114985	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Br"	78.918885
"1315133"	636.170972	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Cl+HCOOH"	80.974872
"1331537"	658.152929	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Cl+NaCOOH"	102.956829
"924783"	668.181686	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M-H+CF3COOH"	112.985586
"1300400"	704.158364	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Cl+CF3COOH"	148.962264
"1378565"	520.183424	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H-2H2O"	-35.012676
"1393875"	538.1934	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H-H2O"	-17.0027
"289188"	1111.399476	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+H"	1.007276
"683796"	1666.595576	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+H"	1.007276
"1360144"	556.203376	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H"	1.007276
"135219"	556.203376	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+2H"	2.014552
"574779"	833.801426	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+2H"	2.014552
"1050140"	278.605326	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2H"	2.014552
"219135"	371.138009333333	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+3H"	3.021828
"654321"	556.203376	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+3H"	3.021828
"1174632"	186.072642666667	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+3H"	3.021828
"432438"	1128.426023	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+NH4"	18.033823
"790151"	1683.622123	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+NH4"	18.033823
"1686481"	573.229923	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+NH4"	18.033823
"330746"	564.7166495	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+H+NH4"	19.041099
"723291"	842.3146995	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+H+NH4"	19.041099
"1477840"	287.1185995	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H+NH4"	19.041099
"401881"	1133.381418	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+Na"	22.989218
"755583"	1688.577518	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+Na"	22.989218
"1607692"	578.185318	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Na"	22.989218
"319915"	567.194347	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+H+Na"	23.996494
"717801"	844.792397	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+H+Na"	23.996494
"1470529"	289.596297	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H+Na"	23.996494
"1059399"	193.399956666667	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2H+Na"	25.00377
"1259988"	588.229586	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+CH3OH+H"	33.033486
"381844"	1149.355358	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+K"	38.963158
"745022"	1704.551458	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+K"	38.963158
"1543799"	594.159258	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+K"	38.963158
"303525"	575.181317	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+H+K"	39.970434
"694490"	852.779367	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+H+K"	39.970434
"1448308"	297.583267	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H+K"	39.970434
"236180"	1152.426026	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+ACN+H"	42.033826
"1217281"	597.229926	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+ACN+H"	42.033826
"1203350"	299.118601	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+ACN+2H"	43.041102
"198410"	1155.36336	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+2Na-H"	44.97116
"630802"	1710.55946	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+2Na-H"	44.97116
"1134187"	600.16726	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2Na-H"	44.97116
"175042"	578.185318	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+2Na"	45.978436
"615941"	855.783368	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+2Na"	45.978436
"1118233"	300.587268	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2Na"	45.978436
"1400907"	200.727270666667	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H+2Na"	46.985712
"1431077"	602.208846	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H+HCOOH"	47.012746
"226609"	583.21834	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+3H2O+2H"	56.04448
"1516858"	616.26089	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+IsoProp+H"	61.06479
"414358"	586.172288	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+Na+K"	61.952376
"776447"	863.770338	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+Na+K"	61.952376
"1668405"	308.574238	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Na+K"	61.952376
"256019"	1174.407968	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+ACN+Na"	64.015768
"1231648"	619.211868	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+ACN+Na"	64.015768
"1715428"	619.235393	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+NH4+HCOOH"	64.039293
"1182971"	208.054584666667	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+3Na"	68.967654
"1652862"	624.190788	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Na+HCOOH"	68.994688
"159360"	1187.31124	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+2K-H"	76.91904
"599163"	1742.50734	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+2K-H"	76.91904
"1085257"	632.11514	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2K-H"	76.91904
"144990"	594.159258	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"2M+2K"	77.926316
"582237"	871.757308	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"3M+2K"	77.926316
"1071253"	316.561208	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2K"	77.926316
"1105560"	634.129692	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2K+H"	78.933592
"1341946"	634.217307	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+DMSO+H"	79.021207
"1012663"	638.256476	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2ACN+H"	83.060376
"1533705"	639.250108	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+IsoProp+Na+H"	84.054008
"1000516"	319.631876	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+2ACN+2H"	84.067652
"1588462"	640.164728	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+K+HCOOH"	84.968628
"1417401"	670.196238	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+H+CF3COOH"	115.000138
"1149877"	340.145151	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+3ACN+2H"	125.094202
"1699793"	687.222785	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+NH4+CF3COOH"	132.026685
"1635079"	692.17818	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+Na+CF3COOH"	136.98208
"1572186"	708.15212	"C13765"	"Tiapamil"	"C26H37NO8S2"	"555.1961"	"M+K+CF3COOH"	152.95602
"807660"	334.2409	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M"	0
"984475"	315.22251	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-H2O-H"	-19.01839
"70530"	221.819990666667	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M-3H"	-3.021828
"513373"	333.233624	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M-3H"	-3.021828
"888989"	110.406357333333	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-3H"	-3.021828
"15427"	333.233624	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M-2H"	-2.014552
"455397"	500.354074	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M-2H"	-2.014552
"828206"	166.113174	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-2H"	-2.014552
"90386"	667.474524	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M-H"	-1.007276
"525574"	1001.715424	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M-H"	-1.007276
"901188"	333.233624	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-H"	-1.007276
"51554"	684.501071	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M-2H+NH4"	16.019271
"488681"	1018.741971	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M-2H+NH4"	16.019271
"866728"	350.260171	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-2H+NH4"	16.019271
"34265"	689.456466	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M-2H+Na"	20.974666
"472977"	1023.697366	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M-2H+Na"	20.974666
"859286"	355.215566	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-2H+Na"	20.974666
"1632589"	355.215566	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Na-2H"	20.974666
"109775"	351.221963	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M-H+Cl"	33.962126
"549863"	518.342413	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M-H+Cl"	33.962126
"942565"	184.101513	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-H+Cl"	33.962126
"276983"	703.451202	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+Cl"	34.969402
"673417"	1037.692102	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+Cl"	34.969402
"1283997"	369.210302	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Cl"	34.969402
"29834"	705.430406	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M-2H+K"	36.948606
"470124"	1039.671306	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M-2H+K"	36.948606
"843917"	371.189506	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-2H+K"	36.948606
"1569595"	371.189506	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+K-2H"	36.948606
"955290"	379.239094	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-H+HCOOH"	44.998194
"366942"	713.480001	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+HCOOH-H"	44.998201
"348639"	727.495651	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+Hac-H"	59.013851
"1495284"	393.254751	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Hac-H"	59.013851
"961004"	401.221051	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-H+NaCOOH"	66.980151
"110397"	369.210302	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+2Cl"	69.938804
"553483"	536.330752	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+2Cl"	69.938804
"1029937"	202.089852	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2Cl"	69.938804
"1252795"	413.159785	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Br"	78.918885
"1315243"	415.215772	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Cl+HCOOH"	80.974872
"1333834"	437.197729	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Cl+NaCOOH"	102.956829
"923800"	447.226486	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M-H+CF3COOH"	112.985586
"1302698"	483.203164	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Cl+CF3COOH"	148.962264
"1378674"	299.228224	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H-2H2O"	-35.012676
"1396537"	317.2382	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H-H2O"	-17.0027
"292578"	669.489076	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+H"	1.007276
"684999"	1003.729976	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+H"	1.007276
"1361347"	335.248176	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H"	1.007276
"135329"	335.248176	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+2H"	2.014552
"574889"	502.368626	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+2H"	2.014552
"1050250"	168.127726	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2H"	2.014552
"218759"	223.834542666667	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+3H"	3.021828
"653338"	335.248176	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+3H"	3.021828
"1172556"	112.420909333333	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+3H"	3.021828
"432548"	686.515623	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+NH4"	18.033823
"787345"	1020.756523	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+NH4"	18.033823
"1686591"	352.274723	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+NH4"	18.033823
"331222"	343.7614495	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+H+NH4"	19.041099
"724374"	510.8818995	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+H+NH4"	19.041099
"1477830"	176.6409995	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H+NH4"	19.041099
"397617"	691.471018	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+Na"	22.989218
"755082"	1025.711918	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+Na"	22.989218
"1603547"	357.230118	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Na"	22.989218
"322211"	346.239147	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+H+Na"	23.996494
"719977"	513.359597	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+H+Na"	23.996494
"1466263"	179.118697	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H+Na"	23.996494
"1056227"	119.748223333333	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2H+Na"	25.00377
"1258639"	367.274386	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+CH3OH+H"	33.033486
"380860"	707.444958	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+K"	38.963158
"741852"	1041.685858	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+K"	38.963158
"1543906"	373.204058	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+K"	38.963158
"305458"	354.226117	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+H+K"	39.970434
"692776"	521.346567	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+H+K"	39.970434
"1448782"	187.105667	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H+K"	39.970434
"237747"	710.515626	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+ACN+H"	42.033826
"1220671"	376.274726	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+ACN+H"	42.033826
"1204554"	188.641001	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+ACN+2H"	43.041102
"198520"	713.45296	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+2Na-H"	44.97116
"631154"	1047.69386	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+2Na-H"	44.97116
"1135753"	379.21206	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2Na-H"	44.97116
"173694"	357.230118	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+2Na"	45.978436
"614713"	524.350568	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+2Na"	45.978436
"1117489"	190.109668	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2Na"	45.978436
"1402354"	127.075537333333	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H+2Na"	46.985712
"1432642"	381.253646	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H+HCOOH"	47.012746
"225623"	362.26314	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+3H2O+2H"	56.04448
"1515874"	395.30569	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+IsoProp+H"	61.06479
"416654"	365.217088	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+Na+K"	61.952376
"772546"	532.337538	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+Na+K"	61.952376
"1668515"	198.096638	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Na+K"	61.952376
"256129"	732.497568	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+ACN+Na"	64.015768
"1232123"	398.256668	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+ACN+Na"	64.015768
"1717725"	398.280193	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+NH4+HCOOH"	64.039293
"1183081"	134.402851333333	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+3Na"	68.967654
"1654066"	403.235588	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Na+HCOOH"	68.994688
"162022"	745.40084	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+2K-H"	76.91904
"607051"	1079.64174	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+2K-H"	76.91904
"1092657"	411.15994	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2K-H"	76.91904
"151660"	373.204058	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"2M+2K"	77.926316
"582109"	540.324508	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"3M+2K"	77.926316
"1071363"	206.083608	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2K"	77.926316
"1105670"	413.174492	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2K+H"	78.933592
"1344243"	413.262107	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+DMSO+H"	79.021207
"1012773"	417.301276	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2ACN+H"	83.060376
"1534179"	418.294908	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+IsoProp+Na+H"	84.054008
"999533"	209.154276	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+2ACN+2H"	84.067652
"1588936"	419.209528	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+K+HCOOH"	84.968628
"1416053"	449.241038	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+H+CF3COOH"	115.000138
"1149258"	229.667551	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+3ACN+2H"	125.094202
"1699903"	466.267585	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+NH4+CF3COOH"	132.026685
"1634267"	471.22298	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+Na+CF3COOH"	136.98208
"1571931"	487.19692	"C13766"	"Emopamil"	"C23H30N2"	"334.2409"	"M+K+CF3COOH"	152.95602
"807770"	274.0841	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M"	0
"978026"	255.06571	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"65173"	181.715457333333	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"508016"	273.076824	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"893839"	90.3540906666667	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"15213"	273.076824	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"454529"	410.118874	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"825040"	136.034774	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"83938"	547.160924	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"522403"	821.245024	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"899111"	273.076824	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"52393"	564.187471	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"490860"	838.271571	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"864447"	290.103371	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"33282"	569.142866	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"477219"	843.226966	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"860491"	295.058766	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1632213"	295.058766	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"108380"	291.065163	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"549643"	428.107213	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"941092"	154.023113	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"279282"	583.137602	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"672798"	857.221702	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1284107"	309.053502	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"30635"	585.116806	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"469141"	859.200906	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"845120"	311.032706	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1569341"	311.032706	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"956493"	319.082294	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"365958"	593.166401	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"348748"	607.182051	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1494303"	333.097951	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"958805"	341.064251	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"110195"	309.053502	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"553592"	446.095552	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1027861"	172.011452	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1249626"	353.002985	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1315356"	355.058972	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1331758"	377.040929	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"923910"	387.069686	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1300620"	423.046364	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1377691"	239.071424	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1395189"	257.0814	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"292689"	549.175476	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"681829"	823.259576	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1355991"	275.091376	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"139815"	275.091376	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"578280"	412.133426	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1051820"	138.049326	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"217534"	183.730009333333	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"653450"	275.091376	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1172666"	92.3686426666667	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"433754"	566.202023	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"791467"	840.286123	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1685612"	292.117923	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"332797"	283.6046495	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"731779"	420.6466995	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1482318"	146.5625995	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"397726"	571.157418	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"757622"	845.241518	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1610095"	297.073318	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"316851"	286.082347	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"710729"	423.124397	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1465646"	149.040297	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1056705"	99.6959566666666	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1260570"	307.117586	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"382064"	587.131358	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"743057"	861.215458	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1542922"	313.047258	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"302286"	294.069317	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"693615"	431.111367	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1448528"	157.027267	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"237859"	590.202026	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1218593"	316.117926	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1205757"	158.562601	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"200089"	593.13936	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"631631"	867.22346	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1133679"	319.05526	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"173318"	297.073318	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"613973"	434.115368	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1117844"	160.031268	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1401736"	107.023270666667	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1431664"	321.096846	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"227921"	302.10634	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1518173"	335.14889	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"415671"	305.060288	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"772292"	442.102338	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1668625"	168.018238	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"255146"	612.183968	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1227494"	338.099868	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1713828"	338.123393	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1179666"	114.350584666667	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1654542"	343.078788	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"159218"	625.08724	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"599508"	899.17134	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1088396"	351.00314	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"151408"	313.047258	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"583801"	450.089308	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1071473"	176.005208	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1109059"	353.017692	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1344353"	353.105307	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1013978"	357.144476	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1527001"	358.138108	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"998551"	179.075876	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1588069"	359.052728	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1414705"	389.084238	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1151192"	199.589151	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1698555"	406.110785	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1635300"	411.06618	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1572406"	427.04012	"C13767"	"H37;58-Diethoxypsoralen"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"811162"	261.1729	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M"	0
"978136"	242.15451	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-H2O-H"	-19.01839
"70754"	173.107990666667	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M-3H"	-3.021828
"514690"	260.165624	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M-3H"	-3.021828
"889213"	86.0503573333333	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-3H"	-3.021828
"13742"	260.165624	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M-2H"	-2.014552
"450261"	390.752074	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M-2H"	-2.014552
"830857"	129.579174	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-2H"	-2.014552
"85141"	521.338524	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M-H"	-1.007276
"525793"	782.511424	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M-H"	-1.007276
"903594"	260.165624	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-H"	-1.007276
"52137"	538.365071	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M-2H+NH4"	16.019271
"491699"	799.537971	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M-2H+NH4"	16.019271
"872050"	277.192171	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-2H+NH4"	16.019271
"37769"	543.320466	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M-2H+Na"	20.974666
"481703"	804.493366	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M-2H+Na"	20.974666
"855134"	282.147566	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-2H+Na"	20.974666
"1626853"	282.147566	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Na-2H"	20.974666
"104478"	278.153963	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M-H+Cl"	33.962126
"545133"	408.740413	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M-H+Cl"	33.962126
"938648"	147.567513	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-H+Cl"	33.962126
"275017"	557.315202	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+Cl"	34.969402
"669627"	818.488102	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+Cl"	34.969402
"1283123"	296.142302	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Cl"	34.969402
"28839"	559.294406	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M-2H+K"	36.948606
"469617"	820.467306	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M-2H+K"	36.948606
"843044"	298.121506	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-2H+K"	36.948606
"1567627"	298.121506	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+K-2H"	36.948606
"950038"	306.171094	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-H+HCOOH"	44.998194
"368254"	567.344001	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+HCOOH-H"	44.998201
"347764"	581.359651	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+Hac-H"	59.013851
"1493317"	320.186751	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Hac-H"	59.013851
"958911"	328.153051	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-H+NaCOOH"	66.980151
"110213"	296.142302	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+2Cl"	69.938804
"551150"	426.728752	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+2Cl"	69.938804
"1022503"	165.555852	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2Cl"	69.938804
"1253015"	340.091785	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Br"	78.918885
"1314373"	342.147772	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Cl+HCOOH"	80.974872
"1326403"	364.129729	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Cl+NaCOOH"	102.956829
"924753"	374.158486	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M-H+CF3COOH"	112.985586
"1298545"	410.135164	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Cl+CF3COOH"	148.962264
"1372335"	226.160224	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H-2H2O"	-35.012676
"1385457"	244.1702	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H-H2O"	-17.0027
"289517"	523.353076	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+H"	1.007276
"688497"	784.525976	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+H"	1.007276
"1358287"	262.180176	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H"	1.007276
"137737"	262.180176	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+2H"	2.014552
"576207"	392.766626	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+2H"	2.014552
"1049378"	131.593726	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2H"	2.014552
"212910"	175.122542666667	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+3H"	3.021828
"654652"	262.180176	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+3H"	3.021828
"1172779"	88.0649093333333	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+3H"	3.021828
"430582"	540.379623	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+NH4"	18.033823
"792672"	801.552523	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+NH4"	18.033823
"1687179"	279.206723	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+NH4"	18.033823
"336188"	270.6934495	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+H+NH4"	19.041099
"734076"	401.2798995	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+H+NH4"	19.041099
"1481334"	140.1069995	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H+NH4"	19.041099
"400016"	545.335018	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+Na"	22.989218
"757733"	806.507918	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+Na"	22.989218
"1610205"	284.162118	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Na"	22.989218
"320243"	273.171147	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+H+Na"	23.996494
"712663"	403.757597	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+H+Na"	23.996494
"1467578"	142.584697	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H+Na"	23.996494
"1056449"	95.3922233333333	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2H+Na"	25.00377
"1260315"	294.206386	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+CH3OH+H"	33.033486
"385451"	561.308958	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+K"	38.963158
"743165"	822.481858	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+K"	38.963158
"1546312"	300.136058	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+K"	38.963158
"301305"	281.158117	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+H+K"	39.970434
"694820"	411.744567	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+H+K"	39.970434
"1449734"	150.571667	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H+K"	39.970434
"238337"	564.379626	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+ACN+H"	42.033826
"1219797"	303.206726	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+ACN+H"	42.033826
"1198213"	152.107001	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+ACN+2H"	43.041102
"195461"	567.31696	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+2Na-H"	44.97116
"631739"	828.48986	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+2Na-H"	44.97116
"1135610"	306.14406	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2Na-H"	44.97116
"174522"	284.162118	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+2Na"	45.978436
"616270"	414.748568	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+2Na"	45.978436
"1118683"	153.575668	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2Na"	45.978436
"1399653"	102.719537333333	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H+2Na"	46.985712
"1437241"	308.185646	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H+HCOOH"	47.012746
"224751"	289.19514	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+3H2O+2H"	56.04448
"1521199"	322.23769	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+IsoProp+H"	61.06479
"416874"	292.149088	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+Na+K"	61.952376
"773498"	422.735538	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+Na+K"	61.952376
"1668735"	161.562638	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Na+K"	61.952376
"253071"	586.361568	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+ACN+Na"	64.015768
"1228328"	325.188668	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+ACN+Na"	64.015768
"1716121"	325.212193	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+NH4+HCOOH"	64.039293
"1179531"	110.046851333333	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+3Na"	68.967654
"1653559"	330.167588	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Na+HCOOH"	68.994688
"159689"	599.26484	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+2K-H"	76.91904
"599250"	860.43774	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+2K-H"	76.91904
"1085587"	338.09194	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2K-H"	76.91904
"142280"	300.136058	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"2M+2K"	77.926316
"582087"	430.722508	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"3M+2K"	77.926316
"1079607"	169.549608	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2K"	77.926316
"1108443"	340.106492	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2K+H"	78.933592
"1346286"	340.194107	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+DMSO+H"	79.021207
"1015909"	344.233276	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2ACN+H"	83.060376
"1528933"	345.226908	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+IsoProp+Na+H"	84.054008
"995381"	172.620276	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+2ACN+2H"	84.067652
"1587286"	346.141528	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+K+HCOOH"	84.968628
"1415663"	376.173038	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+H+CF3COOH"	115.000138
"1148749"	193.133551	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+3ACN+2H"	125.094202
"1697933"	393.199585	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+NH4+CF3COOH"	132.026685
"1634435"	398.15498	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+Na+CF3COOH"	136.98208
"1572518"	414.12892	"C13769"	"Bufuralol"	"C16H23NO2"	"261.1729"	"M+K+CF3COOH"	152.95602
"811272"	465.2052	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M"	0
"979339"	446.18681	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-H2O-H"	-19.01839
"70864"	309.129524	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M-3H"	-3.021828
"514800"	464.197924	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M-3H"	-3.021828
"892603"	154.061124	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-3H"	-3.021828
"14458"	464.197924	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M-2H"	-2.014552
"454016"	696.800524	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M-2H"	-2.014552
"830359"	231.595324	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-2H"	-2.014552
"83063"	929.403124	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M-H"	-1.007276
"522622"	1394.608324	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M-H"	-1.007276
"901516"	464.197924	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-H"	-1.007276
"55891"	946.429671	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M-2H+NH4"	16.019271
"493267"	1411.634871	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M-2H+NH4"	16.019271
"872160"	481.224471	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-2H+NH4"	16.019271
"36056"	951.385066	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M-2H+Na"	20.974666
"478533"	1416.590266	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M-2H+Na"	20.974666
"855244"	486.179866	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-2H+Na"	20.974666
"1625867"	486.179866	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Na-2H"	20.974666
"101307"	482.186263	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M-H+Cl"	33.962126
"539775"	714.788863	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M-H+Cl"	33.962126
"938394"	249.583663	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-H+Cl"	33.962126
"272938"	965.379802	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+Cl"	34.969402
"662081"	1430.585002	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+Cl"	34.969402
"1281046"	500.174602	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Cl"	34.969402
"17404"	967.359006	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M-2H+K"	36.948606
"467174"	1432.564206	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M-2H+K"	36.948606
"837685"	502.153806	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-2H+K"	36.948606
"1566641"	502.153806	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+K-2H"	36.948606
"944682"	510.203394	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-H+HCOOH"	44.998194
"367270"	975.408601	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+HCOOH-H"	44.998201
"346456"	989.424251	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+Hac-H"	59.013851
"1493542"	524.219051	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Hac-H"	59.013851
"964252"	532.185351	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-H+NaCOOH"	66.980151
"110404"	500.174602	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+2Cl"	69.938804
"550892"	732.777202	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+2Cl"	69.938804
"1025894"	267.572002	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2Cl"	69.938804
"1252031"	544.124085	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Br"	78.918885
"1315574"	546.180072	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Cl+HCOOH"	80.974872
"1326512"	568.162029	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Cl+NaCOOH"	102.956829
"918666"	578.190786	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M-H+CF3COOH"	112.985586
"1297563"	614.167464	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Cl+CF3COOH"	148.962264
"1377913"	430.192524	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H-2H2O"	-35.012676
"1386660"	448.2025	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H-H2O"	-17.0027
"289628"	931.417676	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+H"	1.007276
"688607"	1396.622876	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+H"	1.007276
"1360585"	466.212476	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H"	1.007276
"135661"	466.212476	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+2H"	2.014552
"576317"	698.815076	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+2H"	2.014552
"1046211"	233.609876	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2H"	2.014552
"210832"	311.144076	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+3H"	3.021828
"653673"	466.212476	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+3H"	3.021828
"1173983"	156.075676	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+3H"	3.021828
"430694"	948.444223	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+NH4"	18.033823
"792783"	1413.649423	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+NH4"	18.033823
"1685831"	483.239023	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+NH4"	18.033823
"337392"	474.7257495	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+H+NH4"	19.041099
"730907"	707.3283495	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+H+NH4"	19.041099
"1482172"	242.1231495	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H+NH4"	19.041099
"395753"	953.399618	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+Na"	22.989218
"757474"	1418.604818	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+Na"	22.989218
"1604843"	488.194418	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Na"	22.989218
"316338"	477.203447	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+H+Na"	23.996494
"711679"	709.806047	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+H+Na"	23.996494
"1463678"	244.600847	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H+Na"	23.996494
"1054124"	163.40299	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2H+Na"	25.00377
"1257301"	498.238686	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+CH3OH+H"	33.033486
"378392"	969.373558	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+K"	38.963158
"745464"	1434.578758	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+K"	38.963158
"1543144"	504.168358	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+K"	38.963158
"300444"	485.190417	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+H+K"	39.970434
"696024"	717.793017	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+H+K"	39.970434
"1450937"	252.587817	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H+K"	39.970434
"237714"	972.444226	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+ACN+H"	42.033826
"1214439"	507.239026	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+ACN+H"	42.033826
"1196861"	254.123151	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+ACN+2H"	43.041102
"194478"	975.38156	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+2Na-H"	44.97116
"631122"	1440.58676	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+2Na-H"	44.97116
"1134261"	510.17636	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2Na-H"	44.97116
"176456"	488.194418	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+2Na"	45.978436
"617840"	720.797018	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+2Na"	45.978436
"1118064"	255.591818	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2Na"	45.978436
"1403049"	170.730304	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H+2Na"	46.985712
"1437352"	512.217946	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H+HCOOH"	47.012746
"229236"	493.22744	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+3H2O+2H"	56.04448
"1522403"	526.26999	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+IsoProp+H"	61.06479
"416984"	496.181388	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+Na+K"	61.952376
"775796"	728.783988	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+Na+K"	61.952376
"1669938"	263.578788	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Na+K"	61.952376
"256461"	994.426168	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+ACN+Na"	64.015768
"1230265"	529.220968	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+ACN+Na"	64.015768
"1716237"	529.244493	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+NH4+HCOOH"	64.039293
"1180131"	178.057618	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+3Na"	68.967654
"1652573"	534.199888	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Na+HCOOH"	68.994688
"158220"	1007.32944	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+2K-H"	76.91904
"599725"	1472.53464	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+2K-H"	76.91904
"1087521"	542.12424	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2K-H"	76.91904
"146525"	504.168358	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"2M+2K"	77.926316
"583049"	736.770958	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"3M+2K"	77.926316
"1079717"	271.565758	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2K"	77.926316
"1108917"	544.138792	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2K+H"	78.933592
"1347125"	544.226407	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+DMSO+H"	79.021207
"1015655"	548.265576	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2ACN+H"	83.060376
"1529043"	549.259208	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+IsoProp+Na+H"	84.054008
"993304"	274.636426	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+2ACN+2H"	84.067652
"1587805"	550.173828	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+K+HCOOH"	84.968628
"1416746"	580.205338	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+H+CF3COOH"	115.000138
"1148494"	295.149701	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+3ACN+2H"	125.094202
"1697801"	597.231885	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+NH4+CF3COOH"	132.026685
"1634176"	602.18728	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+Na+CF3COOH"	136.98208
"1572628"	618.16122	"C13771"	"S9947;2-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide"	"C29H27N3O3"	"465.2052"	"M+K+CF3COOH"	152.95602
"811382"	338.2615	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M"	0
"978356"	319.24311	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-H2O-H"	-19.01839
"70974"	224.500390666667	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M-3H"	-3.021828
"511627"	337.254224	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M-3H"	-3.021828
"891620"	111.746557333333	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-3H"	-3.021828
"14567"	337.254224	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M-2H"	-2.014552
"454126"	506.384974	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M-2H"	-2.014552
"830469"	168.123474	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-2H"	-2.014552
"85360"	675.515724	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M-H"	-1.007276
"521639"	1013.777224	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M-H"	-1.007276
"900534"	337.254224	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-H"	-1.007276
"48468"	692.542271	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M-2H+NH4"	16.019271
"490094"	1030.803771	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M-2H+NH4"	16.019271
"866922"	354.280771	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-2H+NH4"	16.019271
"39081"	697.497666	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M-2H+Na"	20.974666
"476453"	1035.759166	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M-2H+Na"	20.974666
"857540"	359.236166	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-2H+Na"	20.974666
"1622698"	359.236166	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Na-2H"	20.974666
"100322"	355.242563	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M-H+Cl"	33.962126
"540978"	524.373313	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M-H+Cl"	33.962126
"936681"	186.111813	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-H+Cl"	33.962126
"277421"	711.492402	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+Cl"	34.969402
"662554"	1049.753902	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+Cl"	34.969402
"1278969"	373.230902	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Cl"	34.969402
"19339"	713.471606	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M-2H+K"	36.948606
"467650"	1051.733106	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M-2H+K"	36.948606
"843264"	375.210106	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-2H+K"	36.948606
"1565659"	375.210106	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+K-2H"	36.948606
"948072"	383.259694	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-H+HCOOH"	44.998194
"369567"	721.521201	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+HCOOH-H"	44.998201
"347011"	735.536851	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+Hac-H"	59.013851
"1493777"	397.275351	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Hac-H"	59.013851
"960344"	405.241651	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-H+NaCOOH"	66.980151
"110347"	373.230902	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+2Cl"	69.938804
"551732"	542.361652	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+2Cl"	69.938804
"1026004"	204.100152	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2Cl"	69.938804
"1249954"	417.180385	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Br"	78.918885
"1313497"	419.236372	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Cl+HCOOH"	80.974872
"1325528"	441.218329	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Cl+NaCOOH"	102.956829
"919868"	451.247086	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M-H+CF3COOH"	112.985586
"1295484"	487.223764	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Cl+CF3COOH"	148.962264
"1371460"	303.248824	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H-2H2O"	-35.012676
"1384582"	321.2588	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H-H2O"	-17.0027
"285364"	677.530276	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+H"	1.007276
"679970"	1015.791776	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+H"	1.007276
"1357415"	339.268776	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H"	1.007276
"135772"	339.268776	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+2H"	2.014552
"575334"	508.399526	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+2H"	2.014552
"1044135"	170.138026	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2H"	2.014552
"214219"	226.514942666667	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+3H"	3.021828
"653783"	339.268776	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+3H"	3.021828
"1171906"	113.761109333333	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+3H"	3.021828
"428981"	694.556823	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+NH4"	18.033823
"791070"	1032.818323	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+NH4"	18.033823
"1683754"	356.295323	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+NH4"	18.033823
"335679"	347.7820495	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+H+NH4"	19.041099
"730287"	516.9127995	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+H+NH4"	19.041099
"1480824"	178.6512995	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H+NH4"	19.041099
"395496"	699.512218	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+Na"	22.989218
"756854"	1037.773718	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+Na"	22.989218
"1605681"	361.250718	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Na"	22.989218
"316084"	350.259747	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+H+Na"	23.996494
"708874"	519.390497	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+H+Na"	23.996494
"1464516"	181.128997	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H+Na"	23.996494
"1054478"	121.088423333333	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2H+Na"	25.00377
"1259442"	371.294986	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+CH3OH+H"	33.033486
"378259"	715.486158	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+K"	38.963158
"741202"	1053.747658	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+K"	38.963158
"1545441"	377.224658	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+K"	38.963158
"301527"	358.246717	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+H+K"	39.970434
"696134"	527.377467	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+H+K"	39.970434
"1451047"	189.115967	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H+K"	39.970434
"240746"	718.556826	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+ACN+H"	42.033826
"1220017"	380.295326	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+ACN+H"	42.033826
"1203901"	190.651301	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+ACN+2H"	43.041102
"194588"	721.49416	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+2Na-H"	44.97116
"631959"	1059.75566	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+2Na-H"	44.97116
"1135826"	383.23266	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2Na-H"	44.97116
"176566"	361.250718	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+2Na"	45.978436
"617950"	530.381468	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+2Na"	45.978436
"1118902"	192.119968	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2Na"	45.978436
"1401337"	128.415737333333	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H+2Na"	46.985712
"1433451"	385.274246	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H+HCOOH"	47.012746
"222054"	366.28374	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+3H2O+2H"	56.04448
"1515586"	399.32629	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+IsoProp+H"	61.06479
"414178"	369.237688	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+Na+K"	61.952376
"773350"	538.368438	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+Na+K"	61.952376
"1669683"	200.106938	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Na+K"	61.952376
"256206"	740.538768	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+ACN+Na"	64.015768
"1228915"	402.277268	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+ACN+Na"	64.015768
"1715978"	402.300793	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+NH4+HCOOH"	64.039293
"1178901"	135.743051333333	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+3Na"	68.967654
"1650372"	407.256188	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Na+HCOOH"	68.994688
"160637"	753.44204	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+2K-H"	76.91904
"603117"	1091.70354	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+2K-H"	76.91904
"1090909"	415.18054	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2K-H"	76.91904
"143354"	377.224658	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"2M+2K"	77.926316
"584007"	546.355408	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"3M+2K"	77.926316
"1070710"	208.093908	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2K"	77.926316
"1106111"	417.195092	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2K+H"	78.933592
"1339215"	417.282707	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+DMSO+H"	79.021207
"1011025"	421.321876	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2ACN+H"	83.060376
"1532432"	422.315508	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+IsoProp+Na+H"	84.054008
"992685"	211.164576	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+2ACN+2H"	84.067652
"1587672"	423.230128	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+K+HCOOH"	84.968628
"1417219"	453.261638	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+H+CF3COOH"	115.000138
"1148604"	231.677851	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+3ACN+2H"	125.094202
"1699247"	470.288185	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+NH4+CF3COOH"	132.026685
"1634695"	475.24358	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+Na+CF3COOH"	136.98208
"1572373"	491.21752	"C13772"	"Clofilium"	"C21H37ClN"	"338.2615"	"M+K+CF3COOH"	152.95602
"811492"	132.0773	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M"	0
"978466"	113.05891	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-H2O-H"	-19.01839
"71084"	87.0442573333333	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M-3H"	-3.021828
"508457"	131.070024	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M-3H"	-3.021828
"893554"	43.0184906666667	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-3H"	-3.021828
"12491"	131.070024	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M-2H"	-2.014552
"441117"	197.108674	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M-2H"	-2.014552
"818918"	65.031374	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-2H"	-2.014552
"81096"	263.147324	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M-H"	-1.007276
"522843"	395.224624	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M-H"	-1.007276
"898457"	131.070024	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-H"	-1.007276
"49553"	280.173871	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M-2H+NH4"	16.019271
"491300"	412.251171	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M-2H+NH4"	16.019271
"868006"	148.096571	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-2H+NH4"	16.019271
"39193"	285.129266	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M-2H+Na"	20.974666
"477656"	417.206566	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M-2H+Na"	20.974666
"855463"	153.051966	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-2H+Na"	20.974666
"1627183"	153.051966	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Na-2H"	20.974666
"101526"	149.058363	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M-H+Cl"	33.962126
"538902"	215.097013	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M-H+Cl"	33.962126
"935698"	83.019713	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-H+Cl"	33.962126
"278628"	299.124002	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+Cl"	34.969402
"665581"	431.201302	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+Cl"	34.969402
"1279079"	167.046702	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Cl"	34.969402
"29290"	301.103206	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M-2H+K"	36.948606
"467760"	433.180506	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M-2H+K"	36.948606
"843377"	169.025906	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-2H+K"	36.948606
"1566864"	169.025906	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+K-2H"	36.948606
"943201"	177.075494	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-H+HCOOH"	44.998194
"361577"	309.152801	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+HCOOH-H"	44.998201
"346637"	323.168451	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+Hac-H"	59.013851
"1495833"	191.091151	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Hac-H"	59.013851
"960463"	199.057451	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-H+NaCOOH"	66.980151
"111185"	167.046702	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+2Cl"	69.938804
"552576"	233.085352	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+2Cl"	69.938804
"1022827"	101.008052	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2Cl"	69.938804
"1242776"	210.996185	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Br"	78.918885
"1305953"	213.052172	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Cl+HCOOH"	80.974872
"1328918"	235.034129	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Cl+NaCOOH"	102.956829
"919978"	245.062886	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M-H+CF3COOH"	112.985586
"1297782"	281.039564	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Cl+CF3COOH"	148.962264
"1371571"	97.064624	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H-2H2O"	-35.012676
"1383966"	115.0746	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H-H2O"	-17.0027
"286569"	265.161876	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+H"	1.007276
"677897"	397.239176	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+H"	1.007276
"1352423"	133.084576	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H"	1.007276
"132603"	133.084576	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+2H"	2.014552
"572163"	199.123226	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+2H"	2.014552
"1047523"	67.045926	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2H"	2.014552
"213237"	89.0588093333333	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+3H"	3.021828
"653892"	133.084576	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+3H"	3.021828
"1168737"	45.0330426666667	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+3H"	3.021828
"430185"	282.188423	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+NH4"	18.033823
"791910"	414.265723	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+NH4"	18.033823
"1685322"	150.111123	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+NH4"	18.033823
"335424"	141.5978495	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+H+NH4"	19.041099
"733314"	207.6364995	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+H+NH4"	19.041099
"1488227"	75.5591995	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H+NH4"	19.041099
"395607"	287.143818	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+Na"	22.989218
"755876"	419.221118	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+Na"	22.989218
"1603976"	155.066518	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Na"	22.989218
"319479"	144.075547	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+H+Na"	23.996494
"708620"	210.114197	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+H+Na"	23.996494
"1466814"	78.036897	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H+Na"	23.996494
"1055685"	52.3603566666667	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2H+Na"	25.00377
"1259553"	165.110786	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+CH3OH+H"	33.033486
"382501"	303.117758	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+K"	38.963158
"742405"	435.195058	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+K"	38.963158
"1545551"	171.040458	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+K"	38.963158
"301634"	152.062517	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+H+K"	39.970434
"697337"	218.101167	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+H+K"	39.970434
"1451157"	86.023867	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H+K"	39.970434
"239763"	306.188426	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+ACN+H"	42.033826
"1220127"	174.111126	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+ACN+H"	42.033826
"1205104"	87.559201	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+ACN+2H"	43.041102
"194699"	309.12576	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+2Na-H"	44.97116
"638634"	441.20306	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+2Na-H"	44.97116
"1135208"	177.04846	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2Na-H"	44.97116
"176678"	155.066518	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+2Na"	45.978436
"618426"	221.105168	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+2Na"	45.978436
"1119018"	89.027868	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2Na"	45.978436
"1408738"	59.6876706666667	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H+2Na"	46.985712
"1437574"	179.090046	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H+HCOOH"	47.012746
"228363"	160.09954	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+3H2O+2H"	56.04448
"1515332"	193.14209	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+IsoProp+H"	61.06479
"412466"	163.053488	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+Na+K"	61.952376
"770908"	229.092138	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+Na+K"	61.952376
"1669794"	97.014838	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Na+K"	61.952376
"254493"	328.170368	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+ACN+Na"	64.015768
"1228660"	196.093068	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+ACN+Na"	64.015768
"1716456"	196.116593	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+NH4+HCOOH"	64.039293
"1179010"	67.0149846666667	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+3Na"	68.967654
"1651334"	201.071988	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Na+HCOOH"	68.994688
"160018"	341.07364	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+2K-H"	76.91904
"602133"	473.15094	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+2K-H"	76.91904
"1089195"	208.99634	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2K-H"	76.91904
"143461"	171.040458	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"2M+2K"	77.926316
"584479"	237.079108	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"3M+2K"	77.926316
"1069113"	105.001808	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2K"	77.926316
"1109501"	211.010892	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2K+H"	78.933592
"1342606"	211.098507	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+DMSO+H"	79.021207
"1016603"	215.137676	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2ACN+H"	83.060376
"1532543"	216.131308	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+IsoProp+Na+H"	84.054008
"995712"	108.072476	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+2ACN+2H"	84.067652
"1590217"	217.045928	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+K+HCOOH"	84.968628
"1414415"	247.077438	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+H+CF3COOH"	115.000138
"1154912"	128.585751	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+3ACN+2H"	125.094202
"1698996"	264.103985	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+NH4+CF3COOH"	132.026685
"1640114"	269.05938	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+Na+CF3COOH"	136.98208
"1572847"	285.03332	"C13773"	"11-Diethyl-2-hydroxy-2-nitrosohydrazine;D-NONOate"	"C4H10N3O2"	"132.0773"	"M+K+CF3COOH"	152.95602
"813790"	401.1773	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M"	0
"985139"	382.15891	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-H2O-H"	-19.01839
"76664"	266.444257333333	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M-3H"	-3.021828
"515129"	400.170024	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M-3H"	-3.021828
"885281"	132.718490666667	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-3H"	-3.021828
"12599"	400.170024	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M-2H"	-2.014552
"453253"	600.758674	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M-2H"	-2.014552
"827774"	199.581374	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-2H"	-2.014552
"83393"	801.347324	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M-H"	-1.007276
"528419"	1202.524624	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M-H"	-1.007276
"900755"	400.170024	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-H"	-1.007276
"54035"	818.373871	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M-2H+NH4"	16.019271
"493597"	1219.551171	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M-2H+NH4"	16.019271
"872497"	417.196571	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-2H+NH4"	16.019271
"41491"	823.329266	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M-2H+Na"	20.974666
"482876"	1224.506566	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M-2H+Na"	20.974666
"854479"	422.151966	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-2H+Na"	20.974666
"1628387"	422.151966	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Na-2H"	20.974666
"98353"	418.158363	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M-H+Cl"	33.962126
"542289"	618.747013	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M-H+Cl"	33.962126
"931432"	217.569713	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-H+Cl"	33.962126
"269259"	837.324002	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+Cl"	34.969402
"663501"	1238.501302	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+Cl"	34.969402
"1275910"	436.146702	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Cl"	34.969402
"29768"	839.303206	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M-2H+K"	36.948606
"465683"	1240.480506	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M-2H+K"	36.948606
"843484"	438.125906	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-2H+K"	36.948606
"1561506"	438.125906	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+K-2H"	36.948606
"946106"	446.175494	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-H+HCOOH"	44.998194
"363229"	847.352801	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+HCOOH-H"	44.998201
"346502"	861.368451	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+Hac-H"	59.013851
"1500321"	460.191151	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Hac-H"	59.013851
"961302"	468.157451	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-H+NaCOOH"	66.980151
"116771"	436.146702	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+2Cl"	69.938804
"560705"	636.735352	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+2Cl"	69.938804
"1030597"	235.558052	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2Cl"	69.938804
"1251268"	480.096185	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Br"	78.918885
"1309342"	482.152172	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Cl+HCOOH"	80.974872
"1322467"	504.134129	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Cl+NaCOOH"	102.956829
"916811"	514.162886	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M-H+CF3COOH"	112.985586
"1292427"	550.139564	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Cl+CF3COOH"	148.962264
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"1363101"	402.184576	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+H"	1.007276
"131618"	402.184576	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+2H"	2.014552
"570087"	602.773226	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+2H"	2.014552
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"649260"	402.184576	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+3H"	3.021828
"1168113"	134.733042666667	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+3H"	3.021828
"428471"	820.388423	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+NH4"	18.033823
"792020"	1221.565723	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+NH4"	18.033823
"1685068"	419.211123	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+NH4"	18.033823
"334806"	410.6978495	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+H+NH4"	19.041099
"733424"	611.2864995	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+H+NH4"	19.041099
"1482872"	210.1091995	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+H+NH4"	19.041099
"395349"	825.343818	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+Na"	22.989218
"758173"	1226.521118	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+Na"	22.989218
"1606271"	424.166518	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Na"	22.989218
"317404"	413.175547	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+H+Na"	23.996494
"712010"	613.764197	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+H+Na"	23.996494
"1462553"	212.586897	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+H+Na"	23.996494
"1052920"	142.060356666667	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2H+Na"	25.00377
"1259663"	434.210786	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+CH3OH+H"	33.033486
"377428"	841.317758	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+K"	38.963158
"739235"	1242.495058	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+K"	38.963158
"1543479"	440.140458	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+K"	38.963158
"302843"	421.162517	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+H+K"	39.970434
"696358"	621.751167	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+H+K"	39.970434
"1450175"	220.573867	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+H+K"	39.970434
"247529"	844.388426	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+ACN+H"	42.033826
"1216956"	443.211126	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+ACN+H"	42.033826
"1203031"	222.109201	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+ACN+2H"	43.041102
"198091"	847.32576	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+2Na-H"	44.97116
"634369"	1248.50306	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+2Na-H"	44.97116
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"180069"	424.166518	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+2Na"	45.978436
"617809"	624.755168	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+2Na"	45.978436
"1119127"	223.577868	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2Na"	45.978436
"1409943"	149.387670666667	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+H+2Na"	46.985712
"1442059"	448.190046	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+H+HCOOH"	47.012746
"229568"	429.19954	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+3H2O+2H"	56.04448
"1516536"	462.24209	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+IsoProp+H"	61.06479
"412576"	432.153488	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+Na+K"	61.952376
"773209"	632.742138	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+Na+K"	61.952376
"1670271"	231.564838	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Na+K"	61.952376
"254603"	866.370368	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+ACN+Na"	64.015768
"1228405"	465.193068	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+ACN+Na"	64.015768
"1715835"	465.216593	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+NH4+HCOOH"	64.039293
"1181187"	156.714984666667	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+3Na"	68.967654
"1650715"	470.171988	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Na+HCOOH"	68.994688
"160858"	879.27364	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+2K-H"	76.91904
"601513"	1280.45094	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+2K-H"	76.91904
"1087845"	478.09634	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2K-H"	76.91904
"142598"	440.140458	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"2M+2K"	77.926316
"582044"	640.729108	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"3M+2K"	77.926316
"1077496"	239.551808	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2K"	77.926316
"1106331"	480.110892	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2K+H"	78.933592
"1347090"	480.198507	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+DMSO+H"	79.021207
"1012341"	484.237676	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2ACN+H"	83.060376
"1527185"	485.231308	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+IsoProp+Na+H"	84.054008
"993634"	242.622476	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+2ACN+2H"	84.067652
"1590325"	486.145928	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+K+HCOOH"	84.968628
"1417076"	516.177438	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+H+CF3COOH"	115.000138
"1150645"	263.135751	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+3ACN+2H"	125.094202
"1698374"	533.203985	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+NH4+CF3COOH"	132.026685
"1634753"	538.15938	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+Na+CF3COOH"	136.98208
"1575877"	554.13332	"C13776"	"E-4031"	"C21H27N3O3S"	"401.1773"	"M+K+CF3COOH"	152.95602
"816331"	457.1881	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M"	0
"978688"	438.16971	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-H2O-H"	-19.01839
"75680"	303.784790666667	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M-3H"	-3.021828
"514146"	456.180824	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M-3H"	-3.021828
"894134"	151.388757333333	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-3H"	-3.021828
"13802"	456.180824	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M-2H"	-2.014552
"451176"	684.774874	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M-2H"	-2.014552
"825697"	227.586774	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-2H"	-2.014552
"82410"	913.368924	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M-H"	-1.007276
"525249"	1370.557024	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M-H"	-1.007276
"898678"	456.180824	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-H"	-1.007276
"52688"	930.395471	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M-2H+NH4"	16.019271
"493706"	1387.583571	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M-2H+NH4"	16.019271
"869327"	473.207371	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-2H+NH4"	16.019271
"40507"	935.350866	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M-2H+Na"	20.974666
"482622"	1392.538966	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M-2H+Na"	20.974666
"856776"	478.162766	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-2H+Na"	20.974666
"1628497"	478.162766	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Na-2H"	20.974666
"97371"	474.169163	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M-H+Cl"	33.962126
"539120"	702.763213	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M-H+Cl"	33.962126
"931543"	245.575113	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-H+Cl"	33.962126
"270099"	949.345602	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+Cl"	34.969402
"665803"	1406.533702	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+Cl"	34.969402
"1274194"	492.157502	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Cl"	34.969402
"19668"	951.324806	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M-2H+K"	36.948606
"469804"	1408.512906	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M-2H+K"	36.948606
"844691"	494.136706	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-2H+K"	36.948606
"1561616"	494.136706	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+K-2H"	36.948606
"949498"	502.186294	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-H+HCOOH"	44.998194
"362610"	959.374401	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+HCOOH-H"	44.998201
"348680"	973.390051	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+Hac-H"	59.013851
"1497151"	516.201951	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Hac-H"	59.013851
"961775"	524.168251	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-H+NaCOOH"	66.980151
"113965"	492.157502	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+2Cl"	69.938804
"560815"	720.751552	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+2Cl"	69.938804
"1030707"	263.563452	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2Cl"	69.938804
"1253566"	536.106985	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Br"	78.918885
"1308360"	538.162972	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Cl+HCOOH"	80.974872
"1322577"	560.144929	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Cl+NaCOOH"	102.956829
"914733"	570.173686	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M-H+CF3COOH"	112.985586
"1292538"	606.150364	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Cl+CF3COOH"	148.962264
"1369604"	422.175424	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H-2H2O"	-35.012676
"1387100"	440.1854	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H-H2O"	-17.0027
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"677386"	1372.571576	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+H"	1.007276
"1362118"	458.195376	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H"	1.007276
"133917"	458.195376	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+2H"	2.014552
"571291"	686.789426	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+2H"	2.014552
"1045556"	229.601326	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2H"	2.014552
"215644"	305.799342666667	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+3H"	3.021828
"654111"	458.195376	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+3H"	3.021828
"1167496"	153.403309333333	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+3H"	3.021828
"428217"	932.410023	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+NH4"	18.033823
"792130"	1389.598123	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+NH4"	18.033823
"1688461"	475.221923	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+NH4"	18.033823
"341113"	466.7086495	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+H+NH4"	19.041099
"730254"	695.3026995	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+H+NH4"	19.041099
"1487356"	238.1145995	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H+NH4"	19.041099
"396199"	937.365418	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+Na"	22.989218
"765941"	1394.553518	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+Na"	22.989218
"1608571"	480.177318	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Na"	22.989218
"320794"	469.186347	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+H+Na"	23.996494
"711031"	697.780397	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+H+Na"	23.996494
"1468131"	240.592297	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H+Na"	23.996494
"1061379"	160.730623333333	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2H+Na"	25.00377
"1258684"	490.221586	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+CH3OH+H"	33.033486
"380539"	953.339358	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+K"	38.963158
"741534"	1410.527458	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+K"	38.963158
"1547963"	496.151258	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+K"	38.963158
"309150"	477.173317	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+H+K"	39.970434
"700842"	705.767367	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+H+K"	39.970434
"1457581"	248.579267	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H+K"	39.970434
"243269"	956.410026	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+ACN+H"	42.033826
"1222175"	499.221926	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+ACN+H"	42.033826
"1197674"	250.114601	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+ACN+2H"	43.041102
"194919"	959.34736	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+2Na-H"	44.97116
"636665"	1416.53546	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+2Na-H"	44.97116
"1140170"	502.15926	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2Na-H"	44.97116
"184554"	480.177318	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+2Na"	45.978436
"618648"	708.771368	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+2Na"	45.978436
"1119237"	251.583268	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2Na"	45.978436
"1407867"	168.057937333333	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H+2Na"	46.985712
"1441076"	504.200846	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H+HCOOH"	47.012746
"229678"	485.21034	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+3H2O+2H"	56.04448
"1516646"	518.25289	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+IsoProp+H"	61.06479
"411956"	488.164288	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+Na+K"	61.952376
"774779"	716.758338	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+Na+K"	61.952376
"1671477"	259.570238	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Na+K"	61.952376
"253985"	978.391968	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+ACN+Na"	64.015768
"1228516"	521.203868	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+ACN+Na"	64.015768
"1715582"	521.227393	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+NH4+HCOOH"	64.039293
"1181664"	175.385251333333	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+3Na"	68.967654
"1654471"	526.182788	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Na+HCOOH"	68.994688
"163888"	991.29524	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+2K-H"	76.91904
"599438"	1448.48334	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+2K-H"	76.91904
"1084797"	534.10714	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2K-H"	76.91904
"141938"	496.151258	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"2M+2K"	77.926316
"582275"	724.745308	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"3M+2K"	77.926316
"1072138"	267.557208	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2K"	77.926316
"1106440"	536.121692	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2K+H"	78.933592
"1336142"	536.209307	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+DMSO+H"	79.021207
"1011356"	540.248476	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2ACN+H"	83.060376
"1527295"	541.242108	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+IsoProp+Na+H"	84.054008
"992650"	270.627876	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+2ACN+2H"	84.067652
"1591528"	542.156728	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+K+HCOOH"	84.968628
"1415366"	572.188238	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+H+CF3COOH"	115.000138
"1148570"	291.141151	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+3ACN+2H"	125.094202
"1697512"	589.214785	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+NH4+CF3COOH"	132.026685
"1634984"	594.17018	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+Na+CF3COOH"	136.98208
"1575987"	610.14412	"C13777"	"Azimilide"	"C23H28ClN5O3"	"457.1881"	"M+K+CF3COOH"	152.95602
"814010"	324.1144	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M"	0
"978798"	305.09601	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-H2O-H"	-19.01839
"75426"	215.068990666667	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M-3H"	-3.021828
"514256"	323.107124	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M-3H"	-3.021828
"893880"	107.030857333333	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-3H"	-3.021828
"10632"	323.107124	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M-2H"	-2.014552
"453109"	485.164324	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M-2H"	-2.014552
"825809"	161.049924	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-2H"	-2.014552
"84707"	647.221524	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M-H"	-1.007276
"527545"	971.335924	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M-H"	-1.007276
"900977"	323.107124	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-H"	-1.007276
"51705"	664.248071	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M-2H+NH4"	16.019271
"493088"	988.362471	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M-2H+NH4"	16.019271
"872717"	340.133671	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-2H+NH4"	16.019271
"37337"	669.203466	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M-2H+Na"	20.974666
"482003"	993.317866	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M-2H+Na"	20.974666
"854701"	345.089066	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-2H+Na"	20.974666
"1626422"	345.089066	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Na-2H"	20.974666
"99671"	341.095463	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M-H+Cl"	33.962126
"535951"	503.152663	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M-H+Cl"	33.962126
"928375"	179.038263	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-H+Cl"	33.962126
"272397"	683.198202	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+Cl"	34.969402
"660036"	1007.312602	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+Cl"	34.969402
"1275033"	359.083802	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Cl"	34.969402
"19778"	685.177406	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M-2H+K"	36.948606
"460434"	1009.291806	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M-2H+K"	36.948606
"836049"	361.063006	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-2H+K"	36.948606
"1559538"	361.063006	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+K-2H"	36.948606
"947420"	369.112594	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-H+HCOOH"	44.998194
"361748"	693.227001	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+HCOOH-H"	44.998201
"348426"	707.242651	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+Hac-H"	59.013851
"1497261"	383.128251	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Hac-H"	59.013851
"960429"	391.094551	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-H+NaCOOH"	66.980151
"113711"	359.083802	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+2Cl"	69.938804
"560925"	521.141002	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+2Cl"	69.938804
"1026444"	197.026602	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2Cl"	69.938804
"1250396"	403.033285	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Br"	78.918885
"1308471"	405.089272	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Cl+HCOOH"	80.974872
"1323051"	427.071229	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Cl+NaCOOH"	102.956829
"913750"	437.099986	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M-H+CF3COOH"	112.985586
"1289367"	473.076664	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Cl+CF3COOH"	148.962264
"1368621"	289.101724	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H-2H2O"	-35.012676
"1384295"	307.1117	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H-H2O"	-17.0027
"283616"	649.236076	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+H"	1.007276
"676039"	973.350476	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+H"	1.007276
"1356763"	325.121676	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H"	1.007276
"135120"	325.121676	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+2H"	2.014552
"576869"	487.178876	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+2H"	2.014552
"1044573"	163.064476	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2H"	2.014552
"215755"	217.083542666667	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+3H"	3.021828
"654221"	325.121676	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+3H"	3.021828
"1173441"	109.045409333333	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+3H"	3.021828
"438536"	666.262623	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+NH4"	18.033823
"792241"	990.377023	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+NH4"	18.033823
"1692945"	342.148223	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+NH4"	18.033823
"341223"	333.6349495	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+H+NH4"	19.041099
"734738"	495.6921495	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+H+NH4"	19.041099
"1490383"	171.5777495	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H+NH4"	19.041099
"396309"	671.218018	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+Na"	22.989218
"759492"	995.332418	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+Na"	22.989218
"1605400"	347.103618	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Na"	22.989218
"317624"	336.112647	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+H+Na"	23.996494
"712235"	498.169847	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+H+Na"	23.996494
"1468242"	174.055447	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H+Na"	23.996494
"1058209"	116.372723333333	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2H+Na"	25.00377
"1262075"	357.147886	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+CH3OH+H"	33.033486
"382836"	687.191958	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+K"	38.963158
"743832"	1011.306358	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+K"	38.963158
"1549166"	363.077558	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+K"	38.963158
"308528"	344.099617	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+H+K"	39.970434
"702045"	506.156817	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+H+K"	39.970434
"1458786"	182.042417	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H+K"	39.970434
"247389"	690.262626	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+ACN+H"	42.033826
"1223379"	366.148226	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+ACN+H"	42.033826
"1201062"	183.577751	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+ACN+2H"	43.041102
"198309"	693.19996	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+2Na-H"	44.97116
"636775"	1017.31436	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+2Na-H"	44.97116
"1139187"	369.08556	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2Na-H"	44.97116
"186733"	347.103618	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+2Na"	45.978436
"619852"	509.160818	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+2Na"	45.978436
"1120806"	185.046418	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2Na"	45.978436
"1409070"	123.700037333333	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H+2Na"	46.985712
"1440093"	371.127146	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H+HCOOH"	47.012746
"228695"	352.13664	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+3H2O+2H"	56.04448
"1515663"	385.17919	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+IsoProp+H"	61.06479
"412431"	355.090588	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+Na+K"	61.952376
"773432"	517.147788	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+Na+K"	61.952376
"1670490"	193.033388	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Na+K"	61.952376
"253730"	712.244568	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+ACN+Na"	64.015768
"1228627"	388.130168	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+ACN+Na"	64.015768
"1716423"	388.153693	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+NH4+HCOOH"	64.039293
"1179950"	131.027351333333	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+3Na"	68.967654
"1655310"	393.109088	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Na+HCOOH"	68.994688
"159259"	725.14784	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+2K-H"	76.91904
"598820"	1049.26224	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+2K-H"	76.91904
"1084422"	401.03344	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2K-H"	76.91904
"142818"	363.077558	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"2M+2K"	77.926316
"584451"	525.134758	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"3M+2K"	77.926316
"1072248"	201.020358	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2K"	77.926316
"1106550"	403.047992	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2K+H"	78.933592
"1336130"	403.135607	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+DMSO+H"	79.021207
"1010372"	407.174776	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2ACN+H"	83.060376
"1527405"	408.168408	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+IsoProp+Na+H"	84.054008
"993853"	204.091026	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+2ACN+2H"	84.067652
"1590545"	409.083028	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+K+HCOOH"	84.968628
"1415476"	439.114538	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+H+CF3COOH"	115.000138
"1149773"	224.604301	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+3ACN+2H"	125.094202
"1697255"	456.141085	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+NH4+CF3COOH"	132.026685
"1634404"	461.09648	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+Na+CF3COOH"	136.98208
"1576097"	477.07042	"C13778"	"HMR1556"	"C15H20N2O4S"	"324.1144"	"M+K+CF3COOH"	152.95602
"815213"	376.1576	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M"	0
"978908"	357.13921	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-H2O-H"	-19.01839
"74806"	249.764457333333	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M-3H"	-3.021828
"518055"	375.150324	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M-3H"	-3.021828
"895290"	124.378590666667	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-3H"	-3.021828
"15240"	375.150324	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M-2H"	-2.014552
"453219"	563.229124	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M-2H"	-2.014552
"825920"	187.071524	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-2H"	-2.014552
"88094"	751.307924	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M-H"	-1.007276
"527656"	1127.465524	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M-H"	-1.007276
"901087"	375.150324	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-H"	-1.007276
"52544"	768.334471	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M-2H+NH4"	16.019271
"495022"	1144.492071	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M-2H+NH4"	16.019271
"873921"	392.176871	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-2H+NH4"	16.019271
"39634"	773.289866	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M-2H+Na"	20.974666
"481384"	1149.447466	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M-2H+Na"	20.974666
"854811"	397.132266	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-2H+Na"	20.974666
"1626532"	397.132266	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Na-2H"	20.974666
"100874"	393.138663	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M-H+Cl"	33.962126
"539341"	581.217463	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M-H+Cl"	33.962126
"929577"	205.059863	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-H+Cl"	33.962126
"277974"	787.284602	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+Cl"	34.969402
"666024"	1163.442202	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+Cl"	34.969402
"1279519"	411.127002	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Cl"	34.969402
"23170"	789.263806	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M-2H+K"	36.948606
"467106"	1165.421406	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M-2H+K"	36.948606
"842721"	413.106206	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-2H+K"	36.948606
"1558555"	413.106206	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+K-2H"	36.948606
"946801"	421.155794	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-H+HCOOH"	44.998194
"364653"	797.313401	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+HCOOH-H"	44.998201
"352909"	811.329051	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+Hac-H"	59.013851
"1497005"	435.171451	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Hac-H"	59.013851
"963819"	443.137751	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-H+NaCOOH"	66.980151
"116006"	411.127002	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+2Cl"	69.938804
"554473"	599.205802	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+2Cl"	69.938804
"1026554"	223.048202	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2Cl"	69.938804
"1256582"	455.076485	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Br"	78.918885
"1311861"	457.132472	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Cl+HCOOH"	80.974872
"1330453"	479.114429	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Cl+NaCOOH"	102.956829
"915319"	489.143186	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M-H+CF3COOH"	112.985586
"1292393"	525.119864	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Cl+CF3COOH"	148.962264
"1370190"	341.144924	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H-2H2O"	-35.012676
"1390602"	359.1549	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H-H2O"	-17.0027
"287008"	753.322476	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+H"	1.007276
"679431"	1129.480076	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+H"	1.007276
"1354687"	377.164876	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H"	1.007276
"134137"	377.164876	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+2H"	2.014552
"576979"	565.243676	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+2H"	2.014552
"1044683"	189.086076	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2H"	2.014552
"209304"	251.779009333333	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+3H"	3.021828
"652144"	377.164876	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+3H"	3.021828
"1168812"	126.393142666667	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+3H"	3.021828
"435730"	770.349023	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+NH4"	18.033823
"790892"	1146.506623	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+NH4"	18.033823
"1693055"	394.191423	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+NH4"	18.033823
"341333"	385.6781495	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+H+NH4"	19.041099
"733755"	573.7569495	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+H+NH4"	19.041099
"1487577"	197.5993495	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H+NH4"	19.041099
"395325"	775.304418	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+Na"	22.989218
"757050"	1151.462018	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+Na"	22.989218
"1607697"	399.146818	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Na"	22.989218
"318828"	388.155847	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+H+Na"	23.996494
"714532"	576.234647	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+H+Na"	23.996494
"1468352"	200.077047	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H+Na"	23.996494
"1061599"	133.720456666667	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2H+Na"	25.00377
"1262185"	409.191086	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+CH3OH+H"	33.033486
"382946"	791.278358	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+K"	38.963158
"746129"	1167.435958	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+K"	38.963158
"1552556"	415.120758	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+K"	38.963158
"310825"	396.142817	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+H+K"	39.970434
"702155"	584.221617	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+H+K"	39.970434
"1459260"	208.064017	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H+K"	39.970434
"245677"	794.349026	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+ACN+H"	42.033826
"1222396"	418.191426	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+ACN+H"	42.033826
"1203359"	209.599351	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+ACN+2H"	43.041102
"199513"	797.28636	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+2Na-H"	44.97116
"637978"	1173.44396	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+2Na-H"	44.97116
"1140391"	421.12876	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2Na-H"	44.97116
"188266"	399.146818	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+2Na"	45.978436
"619962"	587.225618	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+2Na"	45.978436
"1123468"	211.068018	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2Na"	45.978436
"1409181"	141.047770666667	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H+2Na"	46.985712
"1444093"	423.170346	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H+HCOOH"	47.012746
"226618"	404.17984	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+3H2O+2H"	56.04448
"1516867"	437.22239	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+IsoProp+H"	61.06479
"415457"	407.133788	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+Na+K"	61.952376
"772451"	595.212588	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+Na+K"	61.952376
"1667323"	219.054988	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Na+K"	61.952376
"253232"	816.330968	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+ACN+Na"	64.015768
"1228738"	440.173368	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+ACN+Na"	64.015768
"1716169"	440.196893	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+NH4+HCOOH"	64.039293
"1180791"	148.375084666667	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+3Na"	68.967654
"1656154"	445.152288	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Na+HCOOH"	68.994688
"159737"	829.23424	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+2K-H"	76.91904
"602577"	1205.39184	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+2K-H"	76.91904
"1085017"	453.07664	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2K-H"	76.91904
"143293"	415.120758	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"2M+2K"	77.926316
"584561"	603.199558	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"3M+2K"	77.926316
"1069199"	227.041958	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2K"	77.926316
"1100171"	455.091192	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2K+H"	78.933592
"1336481"	455.178807	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+DMSO+H"	79.021207
"1005979"	459.217976	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2ACN+H"	83.060376
"1527515"	460.211608	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+IsoProp+Na+H"	84.054008
"993963"	230.112626	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+2ACN+2H"	84.067652
"1590655"	461.126228	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+K+HCOOH"	84.968628
"1415585"	491.157738	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+H+CF3COOH"	115.000138
"1148790"	250.625901	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+3ACN+2H"	125.094202
"1697163"	508.184285	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+NH4+CF3COOH"	132.026685
"1638361"	513.13968	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+Na+CF3COOH"	136.98208
"1578394"	529.11362	"C13779"	"XE991"	"C26H20N2O"	"376.1576"	"M+K+CF3COOH"	152.95602
"814230"	391.1685	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M"	0
"989226"	372.15011	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-H2O-H"	-19.01839
"78039"	259.771724	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M-3H"	-3.021828
"518206"	390.161224	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M-3H"	-3.021828
"895328"	129.382224	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-3H"	-3.021828
"8667"	390.161224	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M-2H"	-2.014552
"448227"	585.745474	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M-2H"	-2.014552
"826029"	194.576974	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-2H"	-2.014552
"86019"	781.329724	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M-H"	-1.007276
"527767"	1172.498224	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M-H"	-1.007276
"899011"	390.161224	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-H"	-1.007276
"50468"	798.356271	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M-2H+NH4"	16.019271
"492215"	1189.524771	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M-2H+NH4"	16.019271
"877313"	407.187771	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-2H+NH4"	16.019271
"37556"	803.311666	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M-2H+Na"	20.974666
"483682"	1194.480166	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M-2H+Na"	20.974666
"860391"	412.143166	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-2H+Na"	20.974666
"1627738"	412.143166	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Na-2H"	20.974666
"99893"	408.149563	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M-H+Cl"	33.962126
"537266"	603.733813	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M-H+Cl"	33.962126
"929322"	212.565313	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-H+Cl"	33.962126
"269701"	817.306402	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+Cl"	34.969402
"666134"	1208.474902	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+Cl"	34.969402
"1279630"	426.137902	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Cl"	34.969402
"23280"	819.285606	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M-2H+K"	36.948606
"467216"	1210.454106	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M-2H+K"	36.948606
"842831"	428.117106	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-2H+K"	36.948606
"1556599"	428.117106	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+K-2H"	36.948606
"943627"	436.166694	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-H+HCOOH"	44.998194
"363061"	827.335201	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+HCOOH-H"	44.998201
"351562"	841.350851	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+Hac-H"	59.013851
"1496388"	450.182351	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Hac-H"	59.013851
"965023"	458.148651	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-H+NaCOOH"	66.980151
"118305"	426.137902	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+2Cl"	69.938804
"556772"	621.722152	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+2Cl"	69.938804
"1026663"	230.553652	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2Cl"	69.938804
"1245150"	470.087385	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Br"	78.918885
"1310879"	472.143372	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Cl+HCOOH"	80.974872
"1330563"	494.125329	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Cl+NaCOOH"	102.956829
"914336"	504.154086	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M-H+CF3COOH"	112.985586
"1293233"	540.130764	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Cl+CF3COOH"	148.962264
"1374312"	356.155824	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H-2H2O"	-35.012676
"1392901"	374.1658	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H-H2O"	-17.0027
"284932"	783.344276	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+H"	1.007276
"681730"	1174.512776	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+H"	1.007276
"1355893"	392.175776	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H"	1.007276
"129874"	392.175776	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+2H"	2.014552
"570528"	587.760026	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+2H"	2.014552
"1044795"	196.591526	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2H"	2.014552
"214883"	261.786276	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+3H"	3.021828
"655536"	392.175776	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+3H"	3.021828
"1170382"	131.396776	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+3H"	3.021828
"432560"	800.370823	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+NH4"	18.033823
"797929"	1191.539323	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+NH4"	18.033823
"1694989"	409.202323	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+NH4"	18.033823
"339257"	400.6890495	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+H+NH4"	19.041099
"728397"	596.2732995	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+H+NH4"	19.041099
"1488780"	205.1047995	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H+NH4"	19.041099
"397623"	805.326218	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+Na"	22.989218
"762993"	1196.494718	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+Na"	22.989218
"1608905"	414.157718	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Na"	22.989218
"320035"	403.166747	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+H+Na"	23.996494
"716830"	598.750997	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+H+Na"	23.996494
"1471742"	207.582497	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H+Na"	23.996494
"1063896"	138.72409	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2H+Na"	25.00377
"1266305"	424.201986	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+CH3OH+H"	33.033486
"381962"	821.300158	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+K"	38.963158
"745145"	1212.468658	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+K"	38.963158
"1545010"	430.131658	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+K"	38.963158
"306560"	411.153717	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+H+K"	39.970434
"698982"	606.737967	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+H+K"	39.970434
"1461216"	215.569467	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H+K"	39.970434
"251134"	824.370826	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+ACN+H"	42.033826
"1225423"	433.202326	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+ACN+H"	42.033826
"1205656"	217.104801	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+ACN+2H"	43.041102
"203390"	827.30816	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+2Na-H"	44.97116
"640275"	1218.47666	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+2Na-H"	44.97116
"1145968"	436.13966	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2Na-H"	44.97116
"188407"	414.157718	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+2Na"	45.978436
"621530"	609.741968	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+2Na"	45.978436
"1126859"	218.573468	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2Na"	45.978436
"1412206"	146.051404	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H+2Na"	46.985712
"1442501"	438.181246	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H+HCOOH"	47.012746
"230008"	419.19074	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+3H2O+2H"	56.04448
"1518069"	452.23329	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+IsoProp+H"	61.06479
"414474"	422.144688	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+Na+K"	61.952376
"774384"	617.728938	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+Na+K"	61.952376
"1667796"	226.560438	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Na+K"	61.952376
"253951"	846.352768	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+ACN+Na"	64.015768
"1228121"	455.184268	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+ACN+Na"	64.015768
"1715915"	455.207793	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+NH4+HCOOH"	64.039293
"1183092"	153.378718	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+3Na"	68.967654
"1652255"	460.163188	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Na+HCOOH"	68.994688
"162034"	859.25604	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+2K-H"	76.91904
"602687"	1250.42454	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+2K-H"	76.91904
"1085736"	468.08754	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2K-H"	76.91904
"144012"	430.131658	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"2M+2K"	77.926316
"582480"	625.715908	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"3M+2K"	77.926316
"1070281"	234.547408	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2K"	77.926316
"1100933"	470.102092	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2K+H"	78.933592
"1336834"	470.189707	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+DMSO+H"	79.021207
"1007794"	474.228876	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2ACN+H"	83.060376
"1526530"	475.222508	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+IsoProp+Na+H"	84.054008
"992250"	237.618076	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+2ACN+2H"	84.067652
"1590765"	476.137128	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+K+HCOOH"	84.968628
"1417519"	506.168638	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+H+CF3COOH"	115.000138
"1148900"	258.131351	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+3ACN+2H"	125.094202
"1698451"	523.195185	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+NH4+CF3COOH"	132.026685
"1637378"	528.15058	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+Na+CF3COOH"	136.98208
"1578504"	544.12452	"C13780"	"Linopirdine"	"C26H21N3O"	"391.1685"	"M+K+CF3COOH"	152.95602
"812154"	435.241	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M"	0
"987878"	416.22261	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-H2O-H"	-19.01839
"77215"	289.153390666667	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M-3H"	-3.021828
"515315"	434.233724	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M-3H"	-3.021828
"895227"	144.073057333333	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-3H"	-3.021828
"13150"	434.233724	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M-2H"	-2.014552
"448336"	651.854224	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M-2H"	-2.014552
"821035"	216.613224	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-2H"	-2.014552
"82852"	869.474724	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M-H"	-1.007276
"520226"	1304.715724	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M-H"	-1.007276
"898026"	434.233724	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-H"	-1.007276
"51307"	886.501271	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M-2H+NH4"	16.019271
"496341"	1321.742271	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M-2H+NH4"	16.019271
"878152"	451.260271	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-2H+NH4"	16.019271
"45690"	891.456666	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M-2H+Na"	20.974666
"482697"	1326.697666	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M-2H+Na"	20.974666
"858313"	456.215666	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-2H+Na"	20.974666
"1624565"	456.215666	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Na-2H"	20.974666
"96720"	452.222063	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M-H+Cl"	33.962126
"537372"	669.842563	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M-H+Cl"	33.962126
"928701"	234.601563	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-H+Cl"	33.962126
"271632"	905.451402	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+Cl"	34.969402
"661866"	1340.692402	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+Cl"	34.969402
"1275359"	470.210402	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Cl"	34.969402
"17191"	907.430606	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M-2H+K"	36.948606
"460764"	1342.671606	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M-2H+K"	36.948606
"833584"	472.189606	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-2H+K"	36.948606
"1559140"	472.189606	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+K-2H"	36.948606
"943252"	480.239194	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-H+HCOOH"	44.998194
"364143"	915.480201	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+HCOOH-H"	44.998201
"348758"	929.495851	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+Hac-H"	59.013851
"1497227"	494.254851	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Hac-H"	59.013851
"962217"	502.221151	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-H+NaCOOH"	66.980151
"115135"	470.210402	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+2Cl"	69.938804
"553966"	687.830902	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+2Cl"	69.938804
"1030054"	252.589902	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2Cl"	69.938804
"1242343"	514.159885	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Br"	78.918885
"1309895"	516.215872	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Cl+HCOOH"	80.974872
"1325940"	538.197829	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Cl+NaCOOH"	102.956829
"919551"	548.226586	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M-H+CF3COOH"	112.985586
"1291153"	584.203264	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Cl+CF3COOH"	148.962264
"1368950"	400.228324	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H-2H2O"	-35.012676
"1385351"	418.2383	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H-H2O"	-17.0027
"285404"	871.489276	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+H"	1.007276
"678920"	1306.730276	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+H"	1.007276
"1359279"	436.248276	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H"	1.007276
"127552"	436.248276	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+2H"	2.014552
"570636"	653.868776	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+2H"	2.014552
"1039437"	218.627776	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2H"	2.014552
"209524"	291.167942666667	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+3H"	3.021828
"651273"	436.248276	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+3H"	3.021828
"1171585"	146.087609333333	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+3H"	3.021828
"432669"	888.515823	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+NH4"	18.033823
"794758"	1323.756823	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+NH4"	18.033823
"1692183"	453.274823	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+NH4"	18.033823
"338273"	444.7615495	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+H+NH4"	19.041099
"735070"	662.3820495	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+H+NH4"	19.041099
"1484518"	227.1410495	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H+NH4"	19.041099
"401011"	893.471218	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+Na"	22.989218
"760911"	1328.712218	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+Na"	22.989218
"1603906"	458.230218	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Na"	22.989218
"321237"	447.239247	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+H+Na"	23.996494
"715845"	664.859747	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+H+Na"	23.996494
"1466386"	229.618747	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H+Na"	23.996494
"1059631"	153.414923333333	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2H+Na"	25.00377
"1265682"	468.274486	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+CH3OH+H"	33.033486
"385719"	909.445158	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+K"	38.963158
"745255"	1344.686158	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+K"	38.963158
"1545119"	474.204158	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+K"	38.963158
"304483"	455.226217	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+H+K"	39.970434
"705295"	672.846717	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+H+K"	39.970434
"1459844"	237.605717	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H+K"	39.970434
"247716"	912.515826	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+ACN+H"	42.033826
"1219700"	477.274826	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+ACN+H"	42.033826
"1204676"	239.141051	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+ACN+2H"	43.041102
"195359"	915.45316	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+2Na-H"	44.97116
"642573"	1350.69416	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+2Na-H"	44.97116
"1147035"	480.21216	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2Na-H"	44.97116
"188033"	458.230218	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+2Na"	45.978436
"621276"	675.850718	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+2Na"	45.978436
"1124782"	240.609718	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2Na"	45.978436
"1403931"	160.742237333333	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H+2Na"	46.985712
"1439330"	482.253746	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H+HCOOH"	47.012746
"229028"	463.26324	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+3H2O+2H"	56.04448
"1515995"	496.30579	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+IsoProp+H"	61.06479
"411310"	466.217188	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+Na+K"	61.952376
"774490"	683.837688	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+Na+K"	61.952376
"1668633"	248.596688	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Na+K"	61.952376
"253329"	934.497768	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+ACN+Na"	64.015768
"1227134"	499.256768	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+ACN+Na"	64.015768
"1716019"	499.280293	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+NH4+HCOOH"	64.039293
"1182468"	168.069551333333	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+3Na"	68.967654
"1657465"	504.235688	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Na+HCOOH"	68.994688
"160073"	947.40104	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+2K-H"	76.91904
"597326"	1382.64204	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+2K-H"	76.91904
"1087310"	512.16004	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2K-H"	76.91904
"142304"	474.204158	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"2M+2K"	77.926316
"592441"	691.824658	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"3M+2K"	77.926316
"1073672"	256.583658	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2K"	77.926316
"1104695"	514.174592	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2K+H"	78.933592
"1336822"	514.262207	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+DMSO+H"	79.021207
"1009247"	518.301376	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2ACN+H"	83.060376
"1527007"	519.295008	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+IsoProp+Na+H"	84.054008
"994185"	259.654326	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+2ACN+2H"	84.067652
"1594158"	520.209628	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+K+HCOOH"	84.968628
"1416537"	550.241138	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+H+CF3COOH"	115.000138
"1150105"	280.167601	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+3ACN+2H"	125.094202
"1697952"	567.267685	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+NH4+CF3COOH"	132.026685
"1647339"	572.22308	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+Na+CF3COOH"	136.98208
"1575334"	588.19702	"C13782"	"Paxilline"	"C27H33NO4"	"435.241"	"M+K+CF3COOH"	152.95602
"812264"	494.247	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M"	0
"986530"	475.22861	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-H2O-H"	-19.01839
"75867"	328.490724	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M-3H"	-3.021828
"515426"	493.239724	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M-3H"	-3.021828
"893960"	163.741724	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-3H"	-3.021828
"12897"	493.239724	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M-2H"	-2.014552
"445166"	740.363224	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M-2H"	-2.014552
"821874"	246.116224	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-2H"	-2.014552
"86240"	987.486724	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M-H"	-1.007276
"521432"	1481.733724	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M-H"	-1.007276
"897410"	493.239724	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-H"	-1.007276
"49232"	1004.513271	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M-2H+NH4"	16.019271
"497545"	1498.760271	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M-2H+NH4"	16.019271
"878262"	510.266271	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-2H+NH4"	16.019271
"42153"	1009.468666	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M-2H+Na"	20.974666
"481714"	1503.715666	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M-2H+Na"	20.974666
"860611"	515.221666	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-2H+Na"	20.974666
"1626865"	515.221666	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Na-2H"	20.974666
"95738"	511.228063	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M-H+Cl"	33.962126
"537484"	758.351563	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M-H+Cl"	33.962126
"927718"	264.104563	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-H+Cl"	33.962126
"273929"	1023.463402	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+Cl"	34.969402
"660152"	1517.710402	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+Cl"	34.969402
"1273654"	529.216402	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Cl"	34.969402
"16939"	1025.442606	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M-2H+K"	36.948606
"460874"	1519.689606	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M-2H+K"	36.948606
"832884"	531.195606	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-2H+K"	36.948606
"1556699"	531.195606	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+K-2H"	36.948606
"943489"	539.245194	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-H+HCOOH"	44.998194
"361486"	1033.492201	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+HCOOH-H"	44.998201
"351059"	1047.507851	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+Hac-H"	59.013851
"1496611"	553.260851	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Hac-H"	59.013851
"961965"	561.227151	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-H+NaCOOH"	66.980151
"114517"	529.216402	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+2Cl"	69.938804
"552619"	776.339902	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+2Cl"	69.938804
"1022876"	282.092902	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2Cl"	69.938804
"1243547"	573.165885	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Br"	78.918885
"1308912"	575.221872	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Cl+HCOOH"	80.974872
"1324957"	597.203829	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Cl+NaCOOH"	102.956829
"916745"	607.232586	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M-H+CF3COOH"	112.985586
"1295275"	643.209264	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Cl+CF3COOH"	148.962264
"1369426"	459.234324	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H-2H2O"	-35.012676
"1384126"	477.2443	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H-H2O"	-17.0027
"286972"	989.501276	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+H"	1.007276
"678667"	1483.748276	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+H"	1.007276
"1359390"	495.254276	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H"	1.007276
"131188"	495.254276	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+2H"	2.014552
"572934"	742.377776	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+2H"	2.014552
"1042828"	248.130776	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2H"	2.014552
"215103"	330.505276	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+3H"	3.021828
"656851"	495.254276	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+3H"	3.021828
"1172789"	165.756276	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+3H"	3.021828
"436061"	1006.527823	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+NH4"	18.033823
"798518"	1500.774823	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+NH4"	18.033823
"1693025"	512.280823	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+NH4"	18.033823
"341664"	503.7675495	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+H+NH4"	19.041099
"734088"	750.8910495	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+H+NH4"	19.041099
"1481348"	256.6440495	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H+NH4"	19.041099
"396751"	1011.483218	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+Na"	22.989218
"763213"	1505.730218	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+Na"	22.989218
"1605842"	517.236218	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Na"	22.989218
"322440"	506.245247	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+H+Na"	23.996494
"714862"	753.368747	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+H+Na"	23.996494
"1467590"	259.121747	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H+Na"	23.996494
"1061928"	173.08359	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2H+Na"	25.00377
"1267980"	527.280486	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+CH3OH+H"	33.033486
"384367"	1027.457158	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+K"	38.963158
"744269"	1521.704158	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+K"	38.963158
"1545227"	533.210158	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+K"	38.963158
"307872"	514.232217	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+H+K"	39.970434
"705040"	761.355717	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+H+K"	39.970434
"1459956"	267.108717	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H+K"	39.970434
"249286"	1030.527826	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+ACN+H"	42.033826
"1219810"	536.280826	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+ACN+H"	42.033826
"1203694"	268.644051	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+ACN+2H"	43.041102
"194376"	1033.46516	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+2Na-H"	44.97116
"639039"	1527.71216	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+2Na-H"	44.97116
"1146720"	539.21816	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2Na-H"	44.97116
"186808"	517.236218	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+2Na"	45.978436
"625030"	764.359718	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+2Na"	45.978436
"1125985"	270.112718	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2Na"	45.978436
"1405135"	180.410904	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H+2Na"	46.985712
"1434335"	541.259746	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H+HCOOH"	47.012746
"229501"	522.26924	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+3H2O+2H"	56.04448
"1517198"	555.31179	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+IsoProp+H"	61.06479
"410691"	525.223188	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+Na+K"	61.952376
"773141"	772.346688	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+Na+K"	61.952376
"1666196"	278.099688	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Na+K"	61.952376
"253805"	1052.509768	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+ACN+Na"	64.015768
"1227972"	558.262768	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+ACN+Na"	64.015768
"1716860"	558.286293	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+NH4+HCOOH"	64.039293
"1184401"	187.738218	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+3Na"	68.967654
"1659034"	563.241688	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Na+HCOOH"	68.994688
"161155"	1065.41304	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+2K-H"	76.91904
"597792"	1559.66004	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+2K-H"	76.91904
"1086326"	571.16604	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2K-H"	76.91904
"145331"	533.210158	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"2M+2K"	77.926316
"590365"	780.333658	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"3M+2K"	77.926316
"1072688"	286.086658	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2K"	77.926316
"1102982"	573.180592	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2K+H"	78.933592
"1336690"	573.268207	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+DMSO+H"	79.021207
"1008263"	577.307376	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2ACN+H"	83.060376
"1525291"	578.301008	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+IsoProp+Na+H"	84.054008
"996484"	289.157326	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+2ACN+2H"	84.067652
"1594268"	579.215628	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+K+HCOOH"	84.968628
"1418834"	609.247138	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+H+CF3COOH"	115.000138
"1151308"	309.670601	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+3ACN+2H"	125.094202
"1697939"	626.273685	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+NH4+CF3COOH"	132.026685
"1647449"	631.22908	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+Na+CF3COOH"	136.98208
"1575444"	647.20302	"C13783"	"UCL 1684;610-Diaza-3(13)8(14)-dibenzena-15(14)-diquinolinacyclodecaphane"	"C34H30N4"	"494.247"	"M+K+CF3COOH"	152.95602
"815654"	344.108	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M"	0
"988099"	325.08961	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-H2O-H"	-19.01839
"75977"	228.398057333333	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M-3H"	-3.021828
"516995"	343.100724	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M-3H"	-3.021828
"894073"	113.695390666667	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-3H"	-3.021828
"11916"	343.100724	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M-2H"	-2.014552
"446370"	515.154724	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M-2H"	-2.014552
"824171"	171.046724	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-2H"	-2.014552
"86349"	687.208724	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M-H"	-1.007276
"521542"	1031.316724	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M-H"	-1.007276
"899342"	343.100724	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-H"	-1.007276
"50437"	704.235271	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M-2H+NH4"	16.019271
"498749"	1048.343271	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M-2H+NH4"	16.019271
"876429"	360.127271	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-2H+NH4"	16.019271
"41170"	709.190666	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M-2H+Na"	20.974666
"482922"	1053.298666	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M-2H+Na"	20.974666
"856351"	365.082666	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-2H+Na"	20.974666
"1623696"	365.082666	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Na-2H"	20.974666
"99129"	361.089063	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M-H+Cl"	33.962126
"539781"	533.143063	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M-H+Cl"	33.962126
"928923"	189.035063	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-H+Cl"	33.962126
"276227"	723.185402	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+Cl"	34.969402
"663183"	1067.293402	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+Cl"	34.969402
"1276680"	379.077402	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Cl"	34.969402
"18142"	725.164606	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M-2H+K"	36.948606
"460984"	1069.272606	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M-2H+K"	36.948606
"833687"	381.056606	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-2H+K"	36.948606
"1558997"	381.056606	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+K-2H"	36.948606
"946881"	389.106194	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-H+HCOOH"	44.998194
"364001"	733.214201	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+HCOOH-H"	44.998201
"353358"	747.229851	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+Hac-H"	59.013851
"1504376"	403.121851	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Hac-H"	59.013851
"964627"	411.088151	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-H+NaCOOH"	66.980151
"114627"	379.077402	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+2Cl"	69.938804
"556010"	551.131402	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+2Cl"	69.938804
"1024809"	207.023402	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2Cl"	69.938804
"1250947"	423.026885	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Br"	78.918885
"1313396"	425.082872	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Cl+HCOOH"	80.974872
"1327619"	447.064829	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Cl+NaCOOH"	102.956829
"919771"	457.093586	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M-H+CF3COOH"	112.985586
"1295021"	493.070264	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Cl+CF3COOH"	148.962264
"1373546"	309.095324	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H-2H2O"	-35.012676
"1388857"	327.1053	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H-H2O"	-17.0027
"289637"	689.223276	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+H"	1.007276
"683154"	1033.331276	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+H"	1.007276
"1355128"	345.115276	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H"	1.007276
"133486"	345.115276	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+2H"	2.014552
"577419"	517.169276	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+2H"	2.014552
"1046220"	173.061276	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2H"	2.014552
"217402"	230.412609333333	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+3H"	3.021828
"656962"	345.115276	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+3H"	3.021828
"1172899"	115.709942666667	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+3H"	3.021828
"438357"	706.249823	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+NH4"	18.033823
"800086"	1050.357823	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+NH4"	18.033823
"1696499"	362.141823	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+NH4"	18.033823
"341774"	353.6285495	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+H+NH4"	19.041099
"734930"	525.6825495	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+H+NH4"	19.041099
"1484742"	181.5745495	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H+NH4"	19.041099
"396861"	711.205218	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+Na"	22.989218
"761136"	1055.313218	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+Na"	22.989218
"1607046"	367.097218	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Na"	22.989218
"318180"	356.106247	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+H+Na"	23.996494
"714974"	528.160247	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+H+Na"	23.996494
"1470616"	184.052247	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H+Na"	23.996494
"1063864"	123.037256666667	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2H+Na"	25.00377
"1266999"	377.141486	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+CH3OH+H"	33.033486
"384477"	727.179158	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+K"	38.963158
"745472"	1071.287158	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+K"	38.963158
"1544244"	383.071158	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+K"	38.963158
"306160"	364.093217	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+H+K"	39.970434
"704785"	536.147217	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+H+K"	39.970434
"1460679"	192.039217	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H+K"	39.970434
"251339"	730.249826	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+ACN+H"	42.033826
"1223928"	386.141826	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+ACN+H"	42.033826
"1208541"	193.574551	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+ACN+2H"	43.041102
"198495"	733.18716	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+2Na-H"	44.97116
"640971"	1077.29516	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+2Na-H"	44.97116
"1145939"	389.07916	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2Na-H"	44.97116
"186922"	367.097218	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+2Na"	45.978436
"625506"	539.151218	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+2Na"	45.978436
"1127188"	195.043218	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2Na"	45.978436
"1407432"	130.364570666667	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H+2Na"	46.985712
"1437361"	391.120746	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H+HCOOH"	47.012746
"228883"	372.13024	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+3H2O+2H"	56.04448
"1517675"	405.17279	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+IsoProp+H"	61.06479
"415540"	375.084188	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+Na+K"	61.952376
"773980"	547.138188	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+Na+K"	61.952376
"1668860"	203.030188	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Na+K"	61.952376
"253556"	752.231768	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+ACN+Na"	64.015768
"1228449"	408.123768	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+ACN+Na"	64.015768
"1718794"	408.147293	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+NH4+HCOOH"	64.039293
"1184513"	137.691884666667	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+3Na"	68.967654
"1659875"	413.102688	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Na+HCOOH"	68.994688
"164183"	765.13504	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+2K-H"	76.91904
"600826"	1109.24304	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+2K-H"	76.91904
"1085464"	421.02704	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2K-H"	76.91904
"144708"	383.071158	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"2M+2K"	77.926316
"587194"	555.125158	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"3M+2K"	77.926316
"1072798"	211.017158	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2K"	77.926316
"1101996"	423.041592	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2K+H"	78.933592
"1336315"	423.129207	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+DMSO+H"	79.021207
"1007280"	427.168376	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2ACN+H"	83.060376
"1526133"	428.162008	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+IsoProp+Na+H"	84.054008
"996594"	214.087826	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+2ACN+2H"	84.067652
"1594378"	429.076628	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+K+HCOOH"	84.968628
"1421130"	459.108138	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+H+CF3COOH"	115.000138
"1153606"	234.601101	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+3ACN+2H"	125.094202
"1698053"	476.134685	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+NH4+CF3COOH"	132.026685
"1647559"	481.09008	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+Na+CF3COOH"	136.98208
"1576648"	497.06402	"C13784"	"TRAM-34;1-(2-Chlorophenyl)diphenylmethyl-1H-pyrazole"	"C22H17ClN2"	"344.108"	"M+K+CF3COOH"	152.95602
"809203"	294.0811	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M"	0
"983834"	275.06271	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-H2O-H"	-19.01839
"76449"	195.046790666667	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M-3H"	-3.021828
"516008"	293.073824	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M-3H"	-3.021828
"887248"	97.0197573333333	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-3H"	-3.021828
"6921"	293.073824	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M-2H"	-2.014552
"446482"	440.114374	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M-2H"	-2.014552
"827560"	146.033274	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-2H"	-2.014552
"88643"	587.154924	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M-H"	-1.007276
"524929"	881.236024	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M-H"	-1.007276
"903820"	293.073824	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-H"	-1.007276
"53826"	604.181471	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M-2H+NH4"	16.019271
"494480"	898.262571	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M-2H+NH4"	16.019271
"871187"	310.100371	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-2H+NH4"	16.019271
"39088"	609.136866	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M-2H+Na"	20.974666
"480846"	903.217966	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M-2H+Na"	20.974666
"855366"	315.055766	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-2H+Na"	20.974666
"1621618"	315.055766	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Na-2H"	20.974666
"99238"	311.062163	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M-H+Cl"	33.962126
"535518"	458.102713	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M-H+Cl"	33.962126
"928303"	164.021613	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-H+Cl"	33.962126
"270870"	623.131602	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+Cl"	34.969402
"661830"	917.212702	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+Cl"	34.969402
"1273510"	329.050502	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Cl"	34.969402
"20440"	625.110806	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M-2H+K"	36.948606
"461094"	919.191906	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M-2H+K"	36.948606
"833104"	331.029706	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-2H+K"	36.948606
"1556920"	331.029706	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+K-2H"	36.948606
"944805"	339.079294	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-H+HCOOH"	44.998194
"365205"	633.160401	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+HCOOH-H"	44.998201
"351644"	647.176051	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+Hac-H"	59.013851
"1497196"	353.094951	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Hac-H"	59.013851
"966559"	361.061251	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-H+NaCOOH"	66.980151
"118746"	329.050502	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+2Cl"	69.938804
"555026"	476.091052	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+2Cl"	69.938804
"1026011"	182.009952	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2Cl"	69.938804
"1251056"	372.999985	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Br"	78.918885
"1311317"	375.055972	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Cl+HCOOH"	80.974872
"1327727"	397.037929	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Cl+NaCOOH"	102.956829
"916602"	407.066686	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M-H+CF3COOH"	112.985586
"1291120"	443.043364	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Cl+CF3COOH"	148.962264
"1370011"	259.068424	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H-2H2O"	-35.012676
"1384592"	277.0784	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H-H2O"	-17.0027
"284400"	589.169476	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+H"	1.007276
"682171"	883.250576	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+H"	1.007276
"1359614"	295.088376	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H"	1.007276
"135782"	295.088376	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+2H"	2.014552
"577168"	442.128926	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+2H"	2.014552
"1049249"	148.047826	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2H"	2.014552
"218606"	197.061342666667	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+3H"	3.021828
"658165"	295.088376	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+3H"	3.021828
"1175196"	99.0343093333333	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+3H"	3.021828
"437373"	606.196023	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+NH4"	18.033823
"801331"	900.277123	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+NH4"	18.033823
"1696523"	312.114923	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+NH4"	18.033823
"341883"	303.6016495	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+H+NH4"	19.041099
"736133"	450.6421995	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+H+NH4"	19.041099
"1485946"	156.5610995	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H+NH4"	19.041099
"399158"	611.151418	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+Na"	22.989218
"763433"	905.232518	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+Na"	22.989218
"1612626"	317.070318	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Na"	22.989218
"323757"	306.079347	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+H+Na"	23.996494
"719824"	453.119897	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+H+Na"	23.996494
"1473642"	159.038797	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H+Na"	23.996494
"1065066"	106.361623333333	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2H+Na"	25.00377
"1267108"	327.114586	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+CH3OH+H"	33.033486
"384587"	627.125358	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+K"	38.963158
"744489"	921.206458	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+K"	38.963158
"1542168"	333.044258	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+K"	38.963158
"304813"	314.066317	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+H+K"	39.970434
"704895"	461.106867	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+H+K"	39.970434
"1459445"	167.025767	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H+K"	39.970434
"251259"	630.196026	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+ACN+H"	42.033826
"1221486"	336.114926	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+ACN+H"	42.033826
"1209668"	168.561101	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+ACN+2H"	43.041102
"201521"	633.13336	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+2Na-H"	44.97116
"642174"	927.21446	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+2Na-H"	44.97116
"1145442"	339.05226	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2Na-H"	44.97116
"184960"	317.070318	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+2Na"	45.978436
"624521"	464.110868	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+2Na"	45.978436
"1126205"	170.029768	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2Na"	45.978436
"1406448"	113.688937333333	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H+2Na"	46.985712
"1438564"	341.093846	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H+HCOOH"	47.012746
"229356"	322.10334	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+3H2O+2H"	56.04448
"1518879"	355.14589	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+IsoProp+H"	61.06479
"417107"	325.057288	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+Na+K"	61.952376
"780653"	472.097838	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+Na+K"	61.952376
"1670064"	178.016738	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Na+K"	61.952376
"256946"	652.177968	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+ACN+Na"	64.015768
"1233662"	358.096868	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+ACN+Na"	64.015768
"1722549"	358.120393	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+NH4+HCOOH"	64.039293
"1187902"	121.016251333333	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+3Na"	68.967654
"1661443"	363.075788	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Na+HCOOH"	68.994688
"166479"	665.08124	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+2K-H"	76.91904
"600936"	959.16234	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+2K-H"	76.91904
"1089826"	371.00014	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2K-H"	76.91904
"145549"	333.044258	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"2M+2K"	77.926316
"582314"	480.084808	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"3M+2K"	77.926316
"1069259"	186.003708	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2K"	77.926316
"1100884"	373.014692	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2K+H"	78.933592
"1336293"	373.102307	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+DMSO+H"	79.021207
"1007755"	377.141476	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2ACN+H"	83.060376
"1526972"	378.135108	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+IsoProp+Na+H"	84.054008
"996704"	189.074376	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+2ACN+2H"	84.067652
"1595581"	379.049728	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+K+HCOOH"	84.968628
"1420147"	409.081238	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+H+CF3COOH"	115.000138
"1148612"	209.587651	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+3ACN+2H"	125.094202
"1697161"	426.107785	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+NH4+CF3COOH"	132.026685
"1641108"	431.06318	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+Na+CF3COOH"	136.98208
"1575665"	447.03712	"C13785"	"TRAM-3;(2-Chlorophenyl)diphenylmethanol"	"C19H15ClO"	"294.0811"	"M+K+CF3COOH"	152.95602
"806033"	349.2076	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M"	0
"980664"	330.18921	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-H2O-H"	-19.01839
"75466"	231.797790666667	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M-3H"	-3.021828
"515026"	348.200324	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M-3H"	-3.021828
"884078"	115.395257333333	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-3H"	-3.021828
"14322"	348.200324	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M-2H"	-2.014552
"452059"	522.804124	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M-2H"	-2.014552
"823296"	173.596524	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-2H"	-2.014552
"82194"	697.407924	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M-H"	-1.007276
"520297"	1046.615524	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M-H"	-1.007276
"899558"	348.200324	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-H"	-1.007276
"53935"	714.434471	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M-2H+NH4"	16.019271
"492403"	1063.642071	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M-2H+NH4"	16.019271
"870202"	365.226871	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-2H+NH4"	16.019271
"39198"	719.389866	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M-2H+Na"	20.974666
"482049"	1068.597466	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M-2H+Na"	20.974666
"856570"	370.182266	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-2H+Na"	20.974666
"1623916"	370.182266	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Na-2H"	20.974666
"97163"	366.188663	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M-H+Cl"	33.962126
"535992"	540.792463	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M-H+Cl"	33.962126
"935704"	191.584863	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-H+Cl"	33.962126
"276448"	733.384602	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+Cl"	34.969402
"666684"	1082.592202	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+Cl"	34.969402
"1282369"	384.177002	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Cl"	34.969402
"23832"	735.363806	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M-2H+K"	36.948606
"468861"	1084.571406	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M-2H+K"	36.948606
"833907"	386.156206	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-2H+K"	36.948606
"1556179"	386.156206	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+K-2H"	36.948606
"944915"	394.205794	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-H+HCOOH"	44.998194
"363493"	743.413401	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+HCOOH-H"	44.998201
"354670"	757.429051	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+Hac-H"	59.013851
"1499493"	408.221451	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Hac-H"	59.013851
"965576"	416.187751	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-H+NaCOOH"	66.980151
"118856"	384.177002	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+2Cl"	69.938804
"555136"	558.780802	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+2Cl"	69.938804
"1035963"	209.573202	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2Cl"	69.938804
"1253353"	428.126485	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Br"	78.918885
"1314709"	430.182472	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Cl+HCOOH"	80.974872
"1326744"	452.164429	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Cl+NaCOOH"	102.956829
"916710"	462.193186	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M-H+CF3COOH"	112.985586
"1290137"	498.169864	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Cl+CF3COOH"	148.962264
"1370489"	314.194924	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H-2H2O"	-35.012676
"1389080"	332.2049	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H-H2O"	-17.0027
"287674"	699.422476	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+H"	1.007276
"683741"	1048.630076	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+H"	1.007276
"1358996"	350.214876	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H"	1.007276
"137352"	350.214876	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+2H"	2.014552
"575456"	524.818676	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+2H"	2.014552
"1051545"	175.611076	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2H"	2.014552
"218962"	233.812342666667	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+3H"	3.021828
"658641"	350.214876	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+3H"	3.021828
"1173119"	117.409809333333	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+3H"	3.021828
"435297"	716.449023	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+NH4"	18.033823
"799574"	1065.656623	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+NH4"	18.033823
"1696269"	367.241423	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+NH4"	18.033823
"341993"	358.7281495	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+H+NH4"	19.041099
"736610"	533.3319495	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+H+NH4"	19.041099
"1489338"	184.1243495	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H+NH4"	19.041099
"404372"	721.404418	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+Na"	22.989218
"764640"	1070.612018	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+Na"	22.989218
"1612738"	372.196818	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Na"	22.989218
"327148"	361.205847	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+H+Na"	23.996494
"721754"	535.809647	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+H+Na"	23.996494
"1474116"	186.602047	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H+Na"	23.996494
"1065540"	124.737123333333	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2H+Na"	25.00377
"1267218"	382.241086	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+CH3OH+H"	33.033486
"385791"	737.378358	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+K"	38.963158
"743506"	1086.585958	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+K"	38.963158
"1542278"	388.170758	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+K"	38.963158
"302734"	369.192817	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+H+K"	39.970434
"703181"	543.796617	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+H+K"	39.970434
"1458459"	194.589017	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H+K"	39.970434
"251209"	740.449026	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+ACN+H"	42.033826
"1225450"	391.241426	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+ACN+H"	42.033826
"1209779"	196.124351	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+ACN+2H"	43.041102
"202361"	743.38636	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+2Na-H"	44.97116
"643379"	1092.59396	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+2Na-H"	44.97116
"1145914"	394.17876	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2Na-H"	44.97116
"186529"	372.196818	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+2Na"	45.978436
"626089"	546.800618	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+2Na"	45.978436
"1126317"	197.593018	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2Na"	45.978436
"1410932"	132.064437333333	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H+2Na"	46.985712
"1443416"	396.220346	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H+HCOOH"	47.012746
"233479"	377.22984	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+3H2O+2H"	56.04448
"1521175"	410.27239	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+IsoProp+H"	61.06479
"416125"	380.183788	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+Na+K"	61.952376
"780399"	554.787588	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+Na+K"	61.952376
"1672361"	205.579988	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Na+K"	61.952376
"259972"	762.430968	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+ACN+Na"	64.015768
"1231587"	413.223368	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+ACN+Na"	64.015768
"1719380"	413.246893	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+NH4+HCOOH"	64.039293
"1188015"	139.391751333333	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+3Na"	68.967654
"1659001"	418.202288	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Na+HCOOH"	68.994688
"168049"	775.33424	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+2K-H"	76.91904
"609798"	1124.54184	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+2K-H"	76.91904
"1087750"	426.12664	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2K-H"	76.91904
"147846"	388.170758	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"2M+2K"	77.926316
"581575"	562.774558	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"3M+2K"	77.926316
"1069370"	213.566958	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2K"	77.926316
"1101361"	428.141192	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2K+H"	78.933592
"1335961"	428.228807	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+DMSO+H"	79.021207
"1008955"	432.267976	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2ACN+H"	83.060376
"1527082"	433.261608	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+IsoProp+Na+H"	84.054008
"994627"	216.637626	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+2ACN+2H"	84.067652
"1595691"	434.176228	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+K+HCOOH"	84.968628
"1414340"	464.207738	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+H+CF3COOH"	115.000138
"1148358"	237.150901	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+3ACN+2H"	125.094202
"1697053"	481.234285	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+NH4+CF3COOH"	132.026685
"1647779"	486.18968	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+Na+CF3COOH"	136.98208
"1575775"	502.16362	"C13786"	"Cetiedil"	"C20H31NO2S"	"349.2076"	"M+K+CF3COOH"	152.95602
"806143"	296.2715	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M"	0
"982960"	277.25311	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-H2O-H"	-19.01839
"72294"	196.507057333333	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M-3H"	-3.021828
"511853"	295.264224	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M-3H"	-3.021828
"884188"	97.7498906666667	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-3H"	-3.021828
"4948"	295.264224	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M-2H"	-2.014552
"445603"	443.399974	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M-2H"	-2.014552
"821220"	147.128474	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-2H"	-2.014552
"86678"	591.535724	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M-H"	-1.007276
"520407"	887.807224	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M-H"	-1.007276
"899666"	295.264224	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-H"	-1.007276
"50763"	608.562271	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M-2H+NH4"	16.019271
"491786"	904.833771	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M-2H+NH4"	16.019271
"870312"	312.290771	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-2H+NH4"	16.019271
"39308"	613.517666	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M-2H+Na"	20.974666
"482156"	909.789166	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M-2H+Na"	20.974666
"855587"	317.246166	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-2H+Na"	20.974666
"1622933"	317.246166	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Na-2H"	20.974666
"98368"	313.252563	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M-H+Cl"	33.962126
"541209"	461.388313	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M-H+Cl"	33.962126
"935815"	165.116813	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-H+Cl"	33.962126
"281421"	627.512402	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+Cl"	34.969402
"670074"	923.783902	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+Cl"	34.969402
"1285031"	331.240902	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Cl"	34.969402
"27223"	629.491606	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M-2H+K"	36.948606
"467877"	925.763106	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M-2H+K"	36.948606
"833404"	333.220106	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-2H+K"	36.948606
"1558232"	333.220106	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+K-2H"	36.948606
"943565"	341.269694	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-H+HCOOH"	44.998194
"361779"	637.541201	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+HCOOH-H"	44.998201
"352593"	651.556851	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+Hac-H"	59.013851
"1499603"	355.285351	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Hac-H"	59.013851
"962770"	363.251651	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-H+NaCOOH"	66.980151
"116050"	331.240902	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+2Cl"	69.938804
"561806"	479.376652	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+2Cl"	69.938804
"1036073"	183.105152	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2Cl"	69.938804
"1251276"	375.190385	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Br"	78.918885
"1312631"	377.246372	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Cl+HCOOH"	80.974872
"1327947"	399.228329	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Cl+NaCOOH"	102.956829
"917915"	409.257086	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M-H+CF3COOH"	112.985586
"1288559"	445.233764	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Cl+CF3COOH"	148.962264
"1372787"	261.258824	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H-2H2O"	-35.012676
"1388096"	279.2688	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H-H2O"	-17.0027
"291065"	593.550276	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+H"	1.007276
"681299"	889.821776	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+H"	1.007276
"1357648"	297.278776	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H"	1.007276
"139531"	297.278776	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+2H"	2.014552
"573015"	445.414526	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+2H"	2.014552
"1049833"	149.143026	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2H"	2.014552
"213357"	198.521609333333	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+3H"	3.021828
"654011"	297.278776	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+3H"	3.021828
"1166668"	99.7644426666667	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+3H"	3.021828
"431033"	610.576823	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+NH4"	18.033823
"796404"	906.848323	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+NH4"	18.033823
"1691276"	314.305323	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+NH4"	18.033823
"341010"	305.7920495	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+H+NH4"	19.041099
"736720"	453.9277995	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+H+NH4"	19.041099
"1487989"	157.6562995	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H+NH4"	19.041099
"401568"	615.532218	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+Na"	22.989218
"761470"	911.803718	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+Na"	22.989218
"1610660"	319.260718	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Na"	22.989218
"328230"	308.269747	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+H+Na"	23.996494
"719678"	456.405497	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+H+Na"	23.996494
"1470946"	160.133997	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H+Na"	23.996494
"1065650"	107.091756666667	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2H+Na"	25.00377
"1265141"	329.304986	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+CH3OH+H"	33.033486
"384808"	631.506158	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+K"	38.963158
"742524"	927.777658	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+K"	38.963158
"1541417"	335.234658	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+K"	38.963158
"299563"	316.256717	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+H+K"	39.970434
"704750"	464.392467	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+H+K"	39.970434
"1460758"	168.120967	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H+K"	39.970434
"248995"	634.576826	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+ACN+H"	42.033826
"1222436"	338.305326	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+ACN+H"	42.033826
"1209116"	169.656301	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+ACN+2H"	43.041102
"202961"	637.51416	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+2Na-H"	44.97116
"641670"	933.78566	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+2Na-H"	44.97116
"1142259"	341.24266	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2Na-H"	44.97116
"183360"	319.260718	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+2Na"	45.978436
"623648"	467.396468	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+2Na"	45.978436
"1126793"	171.124968	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2Na"	45.978436
"1407765"	114.419070666667	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H+2Na"	46.985712
"1440975"	343.284246	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H+HCOOH"	47.012746
"232131"	324.29374	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+3H2O+2H"	56.04448
"1520558"	357.33629	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+IsoProp+H"	61.06479
"416238"	327.247688	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+Na+K"	61.952376
"780511"	475.383438	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+Na+K"	61.952376
"1670283"	179.111938	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Na+K"	61.952376
"257895"	656.558768	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+ACN+Na"	64.015768
"1232791"	360.287268	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+ACN+Na"	64.015768
"1721677"	360.310793	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+NH4+HCOOH"	64.039293
"1188125"	121.746384666667	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+3Na"	68.967654
"1663122"	365.266188	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Na+HCOOH"	68.994688
"170714"	669.46204	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+2K-H"	76.91904
"610272"	965.73354	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+2K-H"	76.91904
"1090046"	373.19054	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2K-H"	76.91904
"151965"	335.234658	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"2M+2K"	77.926316
"585329"	483.370408	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"3M+2K"	77.926316
"1069356"	187.098908	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2K"	77.926316
"1103050"	375.205092	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2K+H"	78.933592
"1336519"	375.292707	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+DMSO+H"	79.021207
"1009430"	379.331876	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2ACN+H"	83.060376
"1527192"	380.325508	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+IsoProp+Na+H"	84.054008
"993643"	190.169576	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+2ACN+2H"	84.067652
"1588874"	381.240128	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+K+HCOOH"	84.968628
"1414407"	411.271638	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+H+CF3COOH"	115.000138
"1148468"	210.682851	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+3ACN+2H"	125.094202
"1699113"	428.298185	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+NH4+CF3COOH"	132.026685
"1644609"	433.25358	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+Na+CF3COOH"	136.98208
"1576978"	449.22752	"C13787"	"17-Methyl-6Z-octadecenoic acid;17-Methyl-6Z-octadecenoate"	"C19H36O2"	"296.2715"	"M+K+CF3COOH"	152.95602
"809533"	405.2457	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M"	0
"981977"	386.22731	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-H2O-H"	-19.01839
"71311"	269.156524	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M-3H"	-3.021828
"509777"	404.238424	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M-3H"	-3.021828
"884298"	134.074624	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-3H"	-3.021828
"5058"	404.238424	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M-2H"	-2.014552
"448993"	606.861274	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M-2H"	-2.014552
"821332"	201.615574	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-2H"	-2.014552
"86790"	809.484124	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M-H"	-1.007276
"521977"	1214.729824	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M-H"	-1.007276
"900140"	404.238424	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-H"	-1.007276
"54153"	826.510671	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M-2H+NH4"	16.019271
"492621"	1231.756371	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M-2H+NH4"	16.019271
"871514"	421.264971	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-2H+NH4"	16.019271
"36139"	831.466066	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M-2H+Na"	20.974666
"482266"	1236.711766	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M-2H+Na"	20.974666
"858975"	426.220366	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-2H+Na"	20.974666
"1625230"	426.220366	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Na-2H"	20.974666
"102853"	422.226763	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M-H+Cl"	33.962126
"540225"	624.849613	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M-H+Cl"	33.962126
"935925"	219.603913	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-H+Cl"	33.962126
"279949"	845.460802	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+Cl"	34.969402
"667999"	1250.706502	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+Cl"	34.969402
"1282590"	440.215102	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Cl"	34.969402
"30614"	847.440006	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M-2H+K"	36.948606
"470986"	1252.685706	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M-2H+K"	36.948606
"834856"	442.194306	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-2H+K"	36.948606
"1558342"	442.194306	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+K-2H"	36.948606
"943148"	450.243894	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-H+HCOOH"	44.998194
"365535"	855.489601	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+HCOOH-H"	44.998201
"352703"	869.505251	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+Hac-H"	59.013851
"1499349"	464.259551	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Hac-H"	59.013851
"962880"	472.225851	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-H+NaCOOH"	66.980151
"115797"	440.215102	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+2Cl"	69.938804
"559730"	642.837952	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+2Cl"	69.938804
"1035090"	237.592252	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2Cl"	69.938804
"1251386"	484.164585	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Br"	78.918885
"1312744"	486.220572	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Cl+HCOOH"	80.974872
"1331704"	508.202529	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Cl+NaCOOH"	102.956829
"922399"	518.231286	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M-H+CF3COOH"	112.985586
"1293641"	554.207964	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Cl+CF3COOH"	148.962264
"1375084"	370.233024	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H-2H2O"	-35.012676
"1387114"	388.243	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H-H2O"	-17.0027
"287895"	811.498676	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+H"	1.007276
"681409"	1216.744376	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+H"	1.007276
"1359946"	406.252976	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H"	1.007276
"138668"	406.252976	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+2H"	2.014552
"576771"	608.875826	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+2H"	2.014552
"1047027"	203.630126	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2H"	2.014552
"216019"	271.171076	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+3H"	3.021828
"656673"	406.252976	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+3H"	3.021828
"1170058"	136.089176	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+3H"	3.021828
"427863"	828.525223	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+NH4"	18.033823
"793230"	1233.770923	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+NH4"	18.033823
"1690293"	423.279523	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+NH4"	18.033823
"340028"	414.7662495	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+H+NH4"	19.041099
"737439"	617.3890995	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+H+NH4"	19.041099
"1488828"	212.1433995	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H+NH4"	19.041099
"403865"	833.480618	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+Na"	22.989218
"762674"	1238.726318	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+Na"	22.989218
"1608585"	428.234918	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Na"	22.989218
"325185"	417.243947	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+H+Na"	23.996494
"718333"	619.866797	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+H+Na"	23.996494
"1473610"	214.621097	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H+Na"	23.996494
"1063939"	143.41649	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2H+Na"	25.00377
"1265251"	438.279186	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+CH3OH+H"	33.033486
"383825"	849.454558	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+K"	38.963158
"743727"	1254.700258	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+K"	38.963158
"1543592"	444.208858	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+K"	38.963158
"299308"	425.230917	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+H+K"	39.970434
"695379"	627.853767	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+H+K"	39.970434
"1448470"	222.608067	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H+K"	39.970434
"241083"	852.525226	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+ACN+H"	42.033826
"1224743"	447.279526	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+ACN+H"	42.033826
"1206799"	224.143401	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+ACN+2H"	43.041102
"202950"	855.46256	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+2Na-H"	44.97116
"642508"	1260.70826	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+2Na-H"	44.97116
"1144193"	450.21686	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2Na-H"	44.97116
"186024"	428.234918	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+2Na"	45.978436
"624856"	630.857768	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+2Na"	45.978436
"1126175"	225.612068	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2Na"	45.978436
"1411159"	150.743804	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H+2Na"	46.985712
"1441084"	452.258446	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H+HCOOH"	47.012746
"229687"	433.26794	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+3H2O+2H"	56.04448
"1517748"	466.31049	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+IsoProp+H"	61.06479
"419264"	436.221888	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+Na+K"	61.952376
"784271"	638.844738	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+Na+K"	61.952376
"1673673"	233.599038	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Na+K"	61.952376
"259101"	874.507168	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+ACN+Na"	64.015768
"1237278"	469.261468	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+ACN+Na"	64.015768
"1725802"	469.284993	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+NH4+HCOOH"	64.039293
"1192616"	158.071118	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+3Na"	68.967654
"1662506"	474.240388	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Na+HCOOH"	68.994688
"170825"	887.41044	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+2K-H"	76.91904
"610383"	1292.65614	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+2K-H"	76.91904
"1098422"	482.16474	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2K-H"	76.91904
"151347"	444.208858	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"2M+2K"	77.926316
"586536"	646.831708	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"3M+2K"	77.926316
"1068862"	241.586008	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2K"	77.926316
"1100368"	484.179292	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2K+H"	78.933592
"1336265"	484.266907	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+DMSO+H"	79.021207
"1009176"	488.306076	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2ACN+H"	83.060376
"1528397"	489.299708	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+IsoProp+Na+H"	84.054008
"992660"	244.656676	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+2ACN+2H"	84.067652
"1588620"	490.214328	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+K+HCOOH"	84.968628
"1414270"	520.245838	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+H+CF3COOH"	115.000138
"1157326"	265.169951	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+3ACN+2H"	125.094202
"1701410"	537.272385	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+NH4+CF3COOH"	132.026685
"1647999"	542.22778	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+Na+CF3COOH"	136.98208
"1577088"	558.20172	"C13788"	"UCL 1608"	"C30H31N"	"405.2457"	"M+K+CF3COOH"	152.95602
"809647"	244.2038	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M"	0
"979898"	225.18541	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-H2O-H"	-19.01839
"69234"	161.795257333333	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M-3H"	-3.021828
"514262"	243.196524	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M-3H"	-3.021828
"882221"	80.3939906666667	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-3H"	-3.021828
"9544"	243.196524	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M-2H"	-2.014552
"444732"	365.298424	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M-2H"	-2.014552
"822533"	121.094624	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-2H"	-2.014552
"81435"	487.400324	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M-H"	-1.007276
"522088"	731.604124	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M-H"	-1.007276
"898071"	243.196524	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-H"	-1.007276
"50254"	504.426871	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M-2H+NH4"	16.019271
"490544"	748.630671	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M-2H+NH4"	16.019271
"866159"	260.223071	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-2H+NH4"	16.019271
"33095"	509.382266	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M-2H+Na"	20.974666
"479099"	753.586066	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M-2H+Na"	20.974666
"854713"	265.178466	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-2H+Na"	20.974666
"1623152"	265.178466	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Na-2H"	20.974666
"98588"	261.184863	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M-H+Cl"	33.962126
"542522"	383.286763	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M-H+Cl"	33.962126
"932757"	139.082963	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-H+Cl"	33.962126
"273501"	523.377002	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+Cl"	34.969402
"669204"	767.580802	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+Cl"	34.969402
"1280514"	279.173202	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Cl"	34.969402
"28541"	525.356206	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M-2H+K"	36.948606
"456433"	769.560006	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M-2H+K"	36.948606
"833141"	281.152406	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-2H+K"	36.948606
"1559551"	281.152406	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+K-2H"	36.948606
"944514"	289.201994	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-H+HCOOH"	44.998194
"364559"	533.405801	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+HCOOH-H"	44.998201
"353910"	547.421451	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+Hac-H"	59.013851
"1496181"	303.217651	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Hac-H"	59.013851
"960076"	311.183951	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-H+NaCOOH"	66.980151
"112624"	279.173202	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+2Cl"	69.938804
"555467"	401.275102	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+2Cl"	69.938804
"1024630"	157.071302	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2Cl"	69.938804
"1242141"	323.122685	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Br"	78.918885
"1313956"	325.178672	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Cl+HCOOH"	80.974872
"1325986"	347.160629	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Cl+NaCOOH"	102.956829
"915951"	357.189386	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M-H+CF3COOH"	112.985586
"1293751"	393.166064	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Cl+CF3COOH"	148.962264
"1371915"	209.191124	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H-2H2O"	-35.012676
"1388318"	227.2011	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H-H2O"	-17.0027
"291285"	489.414876	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+H"	1.007276
"681519"	733.618676	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+H"	1.007276
"1360784"	245.211076	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H"	1.007276
"136591"	245.211076	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+2H"	2.014552
"579069"	367.312976	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+2H"	2.014552
"1049323"	123.109176	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2H"	2.014552
"216493"	163.809809333333	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+3H"	3.021828
"650950"	245.211076	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+3H"	3.021828
"1172355"	82.4085426666667	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+3H"	3.021828
"427973"	506.441423	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+NH4"	18.033823
"797353"	750.645223	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+NH4"	18.033823
"1694051"	262.237623	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+NH4"	18.033823
"342334"	253.7243495	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+H+NH4"	19.041099
"735119"	375.8262495	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+H+NH4"	19.041099
"1488209"	131.6224495	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H+NH4"	19.041099
"403975"	511.396818	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+Na"	22.989218
"764970"	755.600618	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+Na"	22.989218
"1608697"	267.193018	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Na"	22.989218
"325294"	256.202047	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+H+Na"	23.996494
"718806"	378.303947	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+H+Na"	23.996494
"1472995"	134.100147	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H+Na"	23.996494
"1066726"	89.7358566666667	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2H+Na"	25.00377
"1268642"	277.237286	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+CH3OH+H"	33.033486
"390503"	527.370758	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+K"	38.963158
"744932"	771.574558	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+K"	38.963158
"1542609"	283.166958	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+K"	38.963158
"309999"	264.189017	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+H+K"	39.970434
"699865"	386.290917	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+H+K"	39.970434
"1455509"	142.087117	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H+K"	39.970434
"247763"	530.441426	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+ACN+H"	42.033826
"1222291"	286.237626	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+ACN+H"	42.033826
"1207634"	143.622451	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+ACN+2H"	43.041102
"201601"	533.37876	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+2Na-H"	44.97116
"640796"	777.58256	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+2Na-H"	44.97116
"1141382"	289.17496	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2Na-H"	44.97116
"183580"	267.193018	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+2Na"	45.978436
"620954"	389.294918	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+2Na"	45.978436
"1124461"	145.091118	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2Na"	45.978436
"1400331"	97.0631706666667	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H+2Na"	46.985712
"1434635"	291.216546	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H+HCOOH"	47.012746
"225423"	272.22604	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+3H2O+2H"	56.04448
"1512394"	305.26859	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+IsoProp+H"	61.06479
"413177"	275.179988	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+Na+K"	61.952376
"775268"	397.281888	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+Na+K"	61.952376
"1671599"	153.078088	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Na+K"	61.952376
"257025"	552.423368	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+ACN+Na"	64.015768
"1234107"	308.219568	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+ACN+Na"	64.015768
"1721899"	308.243093	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+NH4+HCOOH"	64.039293
"1182879"	104.390484666667	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+3Na"	68.967654
"1660424"	313.198488	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Na+HCOOH"	68.994688
"164004"	565.32664	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+2K-H"	76.91904
"605755"	809.53044	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+2K-H"	76.91904
"1092454"	321.12284	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2K-H"	76.91904
"145995"	283.166958	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"2M+2K"	77.926316
"587744"	405.268858	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"3M+2K"	77.926316
"1073349"	161.065058	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2K"	77.926316
"1103276"	323.137392	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2K+H"	78.933592
"1338205"	323.225007	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+DMSO+H"	79.021207
"1007468"	327.264176	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2ACN+H"	83.060376
"1533978"	328.257808	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+IsoProp+Na+H"	84.054008
"990582"	164.135726	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+2ACN+2H"	84.067652
"1591649"	329.172428	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+K+HCOOH"	84.968628
"1419495"	359.203938	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+H+CF3COOH"	115.000138
"1157437"	184.649001	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+3ACN+2H"	125.094202
"1709179"	376.230485	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+NH4+CF3COOH"	132.026685
"1641549"	381.18588	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+Na+CF3COOH"	136.98208
"1573189"	397.15982	"C13790"	"2S-Hydroxytetradecanoic acid;2S-Hydroxytetradecanoate"	"C14H28O3"	"244.2038"	"M+K+CF3COOH"	152.95602
"811944"	298.2508	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M"	0
"981101"	279.23241	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-H2O-H"	-19.01839
"66427"	197.826590666667	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M-3H"	-3.021828
"507810"	297.243524	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M-3H"	-3.021828
"883059"	98.4096573333333	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-3H"	-3.021828
"3093"	297.243524	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M-2H"	-2.014552
"453590"	446.368924	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M-2H"	-2.014552
"823736"	148.118124	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-2H"	-2.014552
"82639"	595.494324	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M-H"	-1.007276
"521468"	893.745124	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M-H"	-1.007276
"898181"	297.243524	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-H"	-1.007276
"50727"	612.520871	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M-2H+NH4"	16.019271
"491016"	910.771671	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M-2H+NH4"	16.019271
"866998"	314.270071	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-2H+NH4"	16.019271
"34896"	617.476266	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M-2H+Na"	20.974666
"483949"	915.727066	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M-2H+Na"	20.974666
"859197"	319.225466	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-2H+Na"	20.974666
"1625449"	319.225466	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Na-2H"	20.974666
"99791"	315.231863	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M-H+Cl"	33.962126
"545912"	464.357263	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M-H+Cl"	33.962126
"932867"	166.106463	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-H+Cl"	33.962126
"273611"	631.471002	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+Cl"	34.969402
"669314"	929.721802	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+Cl"	34.969402
"1278437"	333.220202	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Cl"	34.969402
"29502"	633.450206	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M-2H+K"	36.948606
"458731"	931.701006	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M-2H+K"	36.948606
"836534"	335.199406	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-2H+K"	36.948606
"1566221"	335.199406	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+K-2H"	36.948606
"944624"	343.248994	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-H+HCOOH"	44.998194
"365761"	641.499801	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+HCOOH-H"	44.998201
"355113"	655.515451	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+Hac-H"	59.013851
"1497383"	357.264651	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Hac-H"	59.013851
"960550"	365.230951	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-H+NaCOOH"	66.980151
"114192"	333.220202	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+2Cl"	69.938804
"553754"	482.345602	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+2Cl"	69.938804
"1024740"	184.094802	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2Cl"	69.938804
"1242006"	377.169685	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Br"	78.918885
"1316253"	379.225672	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Cl+HCOOH"	80.974872
"1327189"	401.207629	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Cl+NaCOOH"	102.956829
"921527"	411.236386	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M-H+CF3COOH"	112.985586
"1301517"	447.213064	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Cl+CF3COOH"	148.962264
"1377492"	263.238124	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H-2H2O"	-35.012676
"1392802"	281.2481	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H-H2O"	-17.0027
"291395"	597.508876	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+H"	1.007276
"686732"	895.759676	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+H"	1.007276
"1363811"	299.258076	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H"	1.007276
"140346"	299.258076	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+2H"	2.014552
"578816"	448.383476	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+2H"	2.014552
"1050531"	150.132676	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2H"	2.014552
"213324"	199.841142666667	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+3H"	3.021828
"652154"	299.258076	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+3H"	3.021828
"1172466"	100.424209333333	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+3H"	3.021828
"430270"	614.535423	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+NH4"	18.033823
"796734"	912.786223	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+NH4"	18.033823
"1694159"	316.284623	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+NH4"	18.033823
"344632"	307.7713495	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+H+NH4"	19.041099
"736687"	456.8967495	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+H+NH4"	19.041099
"1492209"	158.6459495	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H+NH4"	19.041099
"405908"	619.490818	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+Na"	22.989218
"765081"	917.741618	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+Na"	22.989218
"1609899"	321.240018	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Na"	22.989218
"326496"	310.249047	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+H+Na"	23.996494
"717821"	459.374447	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+H+Na"	23.996494
"1472734"	161.123647	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H+Na"	23.996494
"1058325"	107.751523333333	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2H+Na"	25.00377
"1261095"	331.284286	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+CH3OH+H"	33.033486
"392190"	635.464758	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+K"	38.963158
"742855"	933.715558	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+K"	38.963158
"1542718"	337.213958	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+K"	38.963158
"311927"	318.236017	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+H+K"	39.970434
"699974"	467.361417	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+H+K"	39.970434
"1455983"	169.110617	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H+K"	39.970434
"250550"	638.535426	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+ACN+H"	42.033826
"1222765"	340.284626	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+ACN+H"	42.033826
"1204464"	170.645951	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+ACN+2H"	43.041102
"202683"	641.47276	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+2Na-H"	44.97116
"642364"	939.72356	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+2Na-H"	44.97116
"1140399"	343.22196	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2Na-H"	44.97116
"182597"	321.240018	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+2Na"	45.978436
"618877"	470.365418	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+2Na"	45.978436
"1124571"	172.114618	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2Na"	45.978436
"1401535"	115.078837333333	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H+2Na"	46.985712
"1433652"	345.263546	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H+HCOOH"	47.012746
"222254"	326.27304	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+3H2O+2H"	56.04448
"1512504"	359.31559	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+IsoProp+H"	61.06479
"417660"	329.226988	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+Na+K"	61.952376
"776472"	478.352388	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+Na+K"	61.952376
"1669523"	180.101588	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Na+K"	61.952376
"256042"	660.517368	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+ACN+Na"	64.015768
"1234217"	362.266568	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+ACN+Na"	64.015768
"1723102"	362.290093	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+NH4+HCOOH"	64.039293
"1184082"	122.406151333333	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+3Na"	68.967654
"1660534"	367.245488	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Na+HCOOH"	68.994688
"164116"	673.42064	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+2K-H"	76.91904
"603679"	971.67144	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+2K-H"	76.91904
"1089284"	375.16984	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2K-H"	76.91904
"145012"	337.213958	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"2M+2K"	77.926316
"584208"	486.339358	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"3M+2K"	77.926316
"1074552"	188.088558	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2K"	77.926316
"1104479"	377.184392	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2K+H"	78.933592
"1338681"	377.272007	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+DMSO+H"	79.021207
"1008307"	381.311176	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2ACN+H"	83.060376
"1534088"	382.304808	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+IsoProp+Na+H"	84.054008
"990935"	191.159226	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+2ACN+2H"	84.067652
"1592852"	383.219428	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+K+HCOOH"	84.968628
"1416325"	413.250938	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+H+CF3COOH"	115.000138
"1153173"	211.672501	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+3ACN+2H"	125.094202
"1703821"	430.277485	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+NH4+CF3COOH"	132.026685
"1644939"	435.23288	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+Na+CF3COOH"	136.98208
"1574028"	451.20682	"C13791"	"(6R7S)-67-Epoxyoctadecanoic acid;6R7S-Epoxy-octadecanoic acid;6R7S-Epoxy-octadecanoate"	"C18H34O3"	"298.2508"	"M+K+CF3COOH"	152.95602
"809867"	284.2351	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M"	0
"981211"	265.21671	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H2O-H"	-19.01839
"68360"	188.482790666667	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-3H"	-3.021828
"503181"	283.227824	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-3H"	-3.021828
"881103"	93.7377573333333	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-3H"	-3.021828
"3203"	283.227824	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H"	-2.014552
"453700"	425.345374	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H"	-2.014552
"819836"	141.110274	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H"	-2.014552
"83842"	567.462924	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-H"	-1.007276
"521579"	851.698024	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-H"	-1.007276
"899021"	283.227824	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H"	-1.007276
"50473"	584.489471	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H+NH4"	16.019271
"491858"	868.724571	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H+NH4"	16.019271
"870754"	300.254371	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H+NH4"	16.019271
"35738"	589.444866	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H+Na"	20.974666
"473847"	873.679966	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H+Na"	20.974666
"861493"	305.209766	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H+Na"	20.974666
"1625559"	305.209766	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na-2H"	20.974666
"102089"	301.216163	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-H+Cl"	33.962126
"539463"	443.333713	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-H+Cl"	33.962126
"936258"	159.098613	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+Cl"	33.962126
"277001"	603.439602	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Cl"	34.969402
"669424"	887.674702	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+Cl"	34.969402
"1280734"	319.204502	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl"	34.969402
"27664"	605.418806	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H+K"	36.948606
"457745"	889.653906	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H+K"	36.948606
"834821"	321.183706	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H+K"	36.948606
"1566331"	321.183706	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K-2H"	36.948606
"944735"	329.233294	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+HCOOH"	44.998194
"370246"	613.468401	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+HCOOH-H"	44.998201
"354130"	627.484051	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Hac-H"	59.013851
"1497129"	343.248951	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Hac-H"	59.013851
"960296"	351.215251	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+NaCOOH"	66.980151
"113575"	319.204502	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2Cl"	69.938804
"554957"	461.322052	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2Cl"	69.938804
"1027766"	177.086952	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2Cl"	69.938804
"1245885"	363.153985	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Br"	78.918885
"1314906"	365.209972	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl+HCOOH"	80.974872
"1327663"	387.191929	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl+NaCOOH"	102.956829
"920547"	397.220686	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+CF3COOH"	112.985586
"1300170"	433.197364	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl+CF3COOH"	148.962264
"1376509"	249.222424	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H-2H2O"	-35.012676
"1388173"	267.2324	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H-H2O"	-17.0027
"295879"	569.477476	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H"	1.007276
"687206"	853.712576	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H"	1.007276
"1365746"	285.242376	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H"	1.007276
"139363"	285.242376	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2H"	2.014552
"580629"	427.359926	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2H"	2.014552
"1052219"	143.124826	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2H"	2.014552
"214891"	190.497342666667	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+3H"	3.021828
"652264"	285.242376	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+3H"	3.021828
"1170389"	95.7523093333333	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+3H"	3.021828
"430379"	586.504023	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+NH4"	18.033823
"796844"	870.739123	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+NH4"	18.033823
"1685521"	302.268923	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+NH4"	18.033823
"345107"	293.7556495	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H+NH4"	19.041099
"737769"	435.8731995	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H+NH4"	19.041099
"1491954"	151.6380995	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+NH4"	19.041099
"406747"	591.459418	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Na"	22.989218
"766284"	875.694518	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+Na"	22.989218
"1613289"	307.224318	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na"	22.989218
"326606"	296.233347	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H+Na"	23.996494
"720118"	438.350897	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H+Na"	23.996494
"1472844"	154.115797	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+Na"	23.996494
"1061715"	103.079623333333	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2H+Na"	25.00377
"1261205"	317.268586	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+CH3OH+H"	33.033486
"392301"	607.433358	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+K"	38.963158
"745151"	891.668458	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+K"	38.963158
"1544285"	323.198258	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K"	38.963158
"311673"	304.220317	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H+K"	39.970434
"698991"	446.337867	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H+K"	39.970434
"1456093"	162.102767	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+K"	39.970434
"250168"	610.504026	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+ACN+H"	42.033826
"1223969"	326.268926	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+ACN+H"	42.033826
"1205665"	163.638101	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+ACN+2H"	43.041102
"201817"	613.44136	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2Na-H"	44.97116
"643445"	897.67646	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2Na-H"	44.97116
"1139415"	329.20626	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2Na-H"	44.97116
"184893"	307.224318	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2Na"	45.978436
"620080"	449.341868	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2Na"	45.978436
"1122494"	165.106768	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2Na"	45.978436
"1401644"	110.406937333333	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+2Na"	46.985712
"1433761"	331.247846	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+HCOOH"	47.012746
"225643"	312.25734	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+3H2O+2H"	56.04448
"1514800"	345.29989	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+IsoProp+H"	61.06479
"416677"	315.211288	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Na+K"	61.952376
"776581"	457.328838	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+Na+K"	61.952376
"1671820"	173.093738	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na+K"	61.952376
"255059"	632.485968	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+ACN+Na"	64.015768
"1232141"	348.250868	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+ACN+Na"	64.015768
"1721026"	348.274393	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+NH4+HCOOH"	64.039293
"1188565"	117.734251333333	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+3Na"	68.967654
"1660644"	353.229788	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na+HCOOH"	68.994688
"166413"	645.38924	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2K-H"	76.91904
"603789"	929.62434	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2K-H"	76.91904
"1090487"	361.15414	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2K-H"	76.91904
"145122"	323.198258	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2K"	77.926316
"585777"	465.315808	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2K"	77.926316
"1072476"	181.080708	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2K"	77.926316
"1102401"	363.168692	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2K+H"	78.933592
"1338790"	363.256307	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+DMSO+H"	79.021207
"1007688"	367.295476	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2ACN+H"	83.060376
"1534198"	368.289108	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+IsoProp+Na+H"	84.054008
"990802"	184.151376	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2ACN+2H"	84.067652
"1595149"	369.203728	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K+HCOOH"	84.968628
"1415341"	399.235238	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+CF3COOH"	115.000138
"1151096"	204.664651	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+3ACN+2H"	125.094202
"1703931"	416.261785	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+NH4+CF3COOH"	132.026685
"1645049"	421.21718	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na+CF3COOH"	136.98208
"1572316"	437.19112	"C13792"	"2-Methoxy-5Z-hexadecenoic acid;2-Methoxy-5Z-hexadecenoate;(5Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K+CF3COOH"	152.95602
"806696"	205.9942	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M"	0
"978041"	186.97581	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-H2O-H"	-19.01839
"67377"	136.322190666667	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M-3H"	-3.021828
"504262"	204.986924	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M-3H"	-3.021828
"881212"	67.6574573333333	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-3H"	-3.021828
"4406"	204.986924	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M-2H"	-2.014552
"452716"	307.984024	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M-2H"	-2.014552
"822865"	101.989824	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-2H"	-2.014552
"82859"	410.981124	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M-H"	-1.007276
"521689"	616.975324	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M-H"	-1.007276
"902409"	204.986924	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-H"	-1.007276
"51315"	428.007671	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M-2H+NH4"	16.019271
"495250"	634.001871	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M-2H+NH4"	16.019271
"871960"	222.013471	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-2H+NH4"	16.019271
"38765"	432.963066	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M-2H+Na"	20.974666
"482706"	638.957266	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M-2H+Na"	20.974666
"862336"	226.968866	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-2H+Na"	20.974666
"1627855"	226.968866	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Na-2H"	20.974666
"108759"	222.975263	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M-H+Cl"	33.962126
"547958"	325.972363	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M-H+Cl"	33.962126
"939648"	119.978163	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-H+Cl"	33.962126
"279299"	446.957802	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+Cl"	34.969402
"669534"	652.952002	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+Cl"	34.969402
"1284124"	240.963602	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Cl"	34.969402
"24494"	448.937006	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M-2H+K"	36.948606
"459677"	654.931206	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M-2H+K"	36.948606
"836389"	242.942806	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-2H+K"	36.948606
"1566442"	242.942806	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+K-2H"	36.948606
"948855"	250.992394	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-H+HCOOH"	44.998194
"369265"	456.986601	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+HCOOH-H"	44.998201
"356792"	471.002251	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+Hac-H"	59.013851
"1499791"	265.008051	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Hac-H"	59.013851
"963322"	272.974351	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-H+NaCOOH"	66.980151
"114413"	240.963602	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+2Cl"	69.938804
"556524"	343.960702	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+2Cl"	69.938804
"1026053"	137.966502	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2Cl"	69.938804
"1243808"	284.913085	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Br"	78.918885
"1316109"	286.969072	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Cl+HCOOH"	80.974872
"1328503"	308.951029	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Cl+NaCOOH"	102.956829
"922843"	318.979786	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M-H+CF3COOH"	112.985586
"1301373"	354.956464	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Cl+CF3COOH"	148.962264
"1376619"	170.981524	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H-2H2O"	-35.012676
"1388283"	188.9915	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H-H2O"	-17.0027
"295989"	412.995676	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+H"	1.007276
"688045"	618.989876	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+H"	1.007276
"1365126"	207.001476	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H"	1.007276
"140566"	207.001476	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+2H"	2.014552
"580132"	309.998576	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+2H"	2.014552
"1052328"	104.004376	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2H"	2.014552
"215366"	138.336742666667	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+3H"	3.021828
"653467"	207.001476	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+3H"	3.021828
"1169406"	69.6720093333333	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+3H"	3.021828
"430490"	430.022223	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+NH4"	18.033823
"795861"	636.016423	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+NH4"	18.033823
"1690003"	224.028023	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+NH4"	18.033823
"344851"	215.5147495	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+H+NH4"	19.041099
"736906"	318.5118495	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+H+NH4"	19.041099
"1489634"	112.5176495	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H+NH4"	19.041099
"406127"	434.977618	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+Na"	22.989218
"763115"	640.971818	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+Na"	22.989218
"1613399"	228.983418	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Na"	22.989218
"325622"	217.992447	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+H+Na"	23.996494
"719135"	320.989547	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+H+Na"	23.996494
"1472954"	114.995347	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H+Na"	23.996494
"1062918"	76.9993233333333	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2H+Na"	25.00377
"1261315"	239.027686	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+CH3OH+H"	33.033486
"391558"	450.951558	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+K"	38.963158
"744168"	656.945758	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+K"	38.963158
"1542938"	244.957358	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+K"	38.963158
"308867"	225.979417	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+H+K"	39.970434
"699101"	328.976517	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+H+K"	39.970434
"1458025"	122.982317	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H+K"	39.970434
"246996"	454.022226	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+ACN+H"	42.033826
"1220798"	248.028026	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+ACN+H"	42.033826
"1203588"	124.517651	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+ACN+2H"	43.041102
"202656"	456.95956	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+2Na-H"	44.97116
"642581"	662.95376	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+2Na-H"	44.97116
"1138431"	250.96536	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2Na-H"	44.97116
"182816"	228.983418	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+2Na"	45.978436
"618003"	331.980518	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+2Na"	45.978436
"1122604"	125.986318	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2Na"	45.978436
"1401754"	84.3266373333333	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H+2Na"	46.985712
"1433870"	253.006946	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H+HCOOH"	47.012746
"223566"	234.01644	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+3H2O+2H"	56.04448
"1513817"	267.05899	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+IsoProp+H"	61.06479
"420066"	236.970388	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+Na+K"	61.952376
"777784"	339.967488	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+Na+K"	61.952376
"1678490"	133.973288	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Na+K"	61.952376
"261729"	476.004168	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+ACN+Na"	64.015768
"1235531"	270.009968	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+ACN+Na"	64.015768
"1724415"	270.033493	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+NH4+HCOOH"	64.039293
"1188675"	91.6539513333333	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+3Na"	68.967654
"1660754"	274.988888	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Na+HCOOH"	68.994688
"167616"	488.90744	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+2K-H"	76.91904
"606085"	694.90164	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+2K-H"	76.91904
"1092783"	282.91324	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2K-H"	76.91904
"151793"	244.957358	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"2M+2K"	77.926316
"585887"	347.954458	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"3M+2K"	77.926316
"1074774"	141.960258	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2K"	77.926316
"1103606"	284.927792	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2K+H"	78.933592
"1338899"	285.015407	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+DMSO+H"	79.021207
"1008527"	289.054576	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2ACN+H"	83.060376
"1534308"	290.048208	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+IsoProp+Na+H"	84.054008
"994195"	145.030926	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+2ACN+2H"	84.067652
"1595259"	290.962828	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+K+HCOOH"	84.968628
"1416545"	320.994338	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+H+CF3COOH"	115.000138
"1151206"	165.544201	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+3ACN+2H"	125.094202
"1705134"	338.020885	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+NH4+CF3COOH"	132.026685
"1645159"	342.97628	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+Na+CF3COOH"	136.98208
"1573155"	358.95022	"C13793"	"3-Bromo-2Z-heptenoic acid;3-Bromo-2Z-heptenoate;(2Z)-3-Bromoheptenoic acid"	"C7H11BrO2"	"205.9942"	"M+K+CF3COOH"	152.95602
"804619"	317.164	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M"	0
"975964"	298.14561	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-H2O-H"	-19.01839
"63474"	210.435390666667	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M-3H"	-3.021828
"504007"	316.156724	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M-3H"	-3.021828
"881079"	104.714057333333	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-3H"	-3.021828
"3423"	316.156724	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M-2H"	-2.014552
"450639"	474.738724	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M-2H"	-2.014552
"817508"	157.574724	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-2H"	-2.014552
"82969"	633.320724	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M-H"	-1.007276
"518761"	950.484724	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M-H"	-1.007276
"900332"	316.156724	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-H"	-1.007276
"49237"	650.347271	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M-2H+NH4"	16.019271
"488798"	967.511271	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M-2H+NH4"	16.019271
"873163"	333.183271	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-2H+NH4"	16.019271
"36689"	655.302666	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M-2H+Na"	20.974666
"482816"	972.466666	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M-2H+Na"	20.974666
"861713"	338.138666	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-2H+Na"	20.974666
"1625779"	338.138666	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Na-2H"	20.974666
"105589"	334.145063	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M-H+Cl"	33.962126
"547337"	492.727063	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M-H+Cl"	33.962126
"934291"	175.563063	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-H+Cl"	33.962126
"277222"	669.297402	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+Cl"	34.969402
"668550"	986.461402	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+Cl"	34.969402
"1284234"	352.133402	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Cl"	34.969402
"21323"	671.276606	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M-2H+K"	36.948606
"456869"	988.440606	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M-2H+K"	36.948606
"835406"	354.112606	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-2H+K"	36.948606
"1566188"	354.112606	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+K-2H"	36.948606
"948965"	362.162194	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-H+HCOOH"	44.998194
"369375"	679.326201	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+HCOOH-H"	44.998201
"355442"	693.341851	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+Hac-H"	59.013851
"1499901"	376.177851	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Hac-H"	59.013851
"962701"	384.144151	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-H+NaCOOH"	66.980151
"113065"	352.133402	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+2Cl"	69.938804
"555541"	510.715402	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+2Cl"	69.938804
"1026163"	193.551402	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2Cl"	69.938804
"1246834"	396.082885	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Br"	78.918885
"1316217"	398.138872	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Cl+HCOOH"	80.974872
"1328614"	420.120829	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Cl+NaCOOH"	102.956829
"924045"	430.149586	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M-H+CF3COOH"	112.985586
"1302211"	466.126264	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Cl+CF3COOH"	148.962264
"1380375"	282.151324	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H-2H2O"	-35.012676
"1398352"	300.1613	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H-H2O"	-17.0027
"298479"	635.335276	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+H"	1.007276
"688154"	952.499276	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+H"	1.007276
"1364871"	318.171276	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H"	1.007276
"139946"	318.171276	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+2H"	2.014552
"580240"	476.753276	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+2H"	2.014552
"1050857"	159.589276	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2H"	2.014552
"214017"	212.449942666667	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+3H"	3.021828
"654307"	318.171276	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+3H"	3.021828
"1170608"	106.728609333333	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+3H"	3.021828
"431693"	652.361823	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+NH4"	18.033823
"792691"	969.525823	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+NH4"	18.033823
"1689020"	335.197823	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+NH4"	18.033823
"343503"	326.6845495	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+H+NH4"	19.041099
"735194"	485.2665495	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+H+NH4"	19.041099
"1490837"	168.1025495	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H+NH4"	19.041099
"403322"	657.317218	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+Na"	22.989218
"764319"	974.481218	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+Na"	22.989218
"1612416"	340.153218	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Na"	22.989218
"324638"	329.162247	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+H+Na"	23.996494
"717058"	487.744247	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+H+Na"	23.996494
"1471971"	170.580247	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H+Na"	23.996494
"1060842"	114.055923333333	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2H+Na"	25.00377
"1261425"	350.197486	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+CH3OH+H"	33.033486
"391790"	673.291158	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+K"	38.963158
"743185"	990.455158	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+K"	38.963158
"1544141"	356.127158	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+K"	38.963158
"307883"	337.149217	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+H+K"	39.970434
"699211"	495.731217	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+H+K"	39.970434
"1455219"	178.567217	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H+K"	39.970434
"246012"	676.361826	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+ACN+H"	42.033826
"1219815"	359.197826	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+ACN+H"	42.033826
"1202605"	180.102551	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+ACN+2H"	43.041102
"202037"	679.29916	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+2Na-H"	44.97116
"641963"	996.46316	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+2Na-H"	44.97116
"1136355"	362.13516	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2Na-H"	44.97116
"182562"	340.153218	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+2Na"	45.978436
"615927"	498.735218	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+2Na"	45.978436
"1119434"	181.571218	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2Na"	45.978436
"1400771"	121.383237333333	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H+2Na"	46.985712
"1432886"	364.176746	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H+HCOOH"	47.012746
"222583"	345.18624	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+3H2O+2H"	56.04448
"1512831"	378.22879	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+IsoProp+H"	61.06479
"420176"	348.140188	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+Na+K"	61.952376
"777894"	506.722188	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+Na+K"	61.952376
"1673131"	189.558188	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Na+K"	61.952376
"258559"	698.343768	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+ACN+Na"	64.015768
"1233453"	381.179768	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+ACN+Na"	64.015768
"1720151"	381.203293	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+NH4+HCOOH"	64.039293
"1186596"	128.710551333333	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+3Na"	68.967654
"1660863"	386.158688	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Na+HCOOH"	68.994688
"167725"	711.24704	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+2K-H"	76.91904
"604007"	1028.41104	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+2K-H"	76.91904
"1090706"	394.08304	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2K-H"	76.91904
"151903"	356.127158	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"2M+2K"	77.926316
"584904"	514.709158	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"3M+2K"	77.926316
"1074884"	197.545158	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2K"	77.926316
"1102621"	396.097592	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2K+H"	78.933592
"1339010"	396.185207	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+DMSO+H"	79.021207
"1009730"	400.224376	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2ACN+H"	83.060376
"1534418"	401.218008	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+IsoProp+Na+H"	84.054008
"995398"	200.615826	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+2ACN+2H"	84.067652
"1593182"	402.132628	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+K+HCOOH"	84.968628
"1416655"	432.164138	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+H+CF3COOH"	115.000138
"1151316"	221.129101	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+3ACN+2H"	125.094202
"1704151"	449.190685	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+NH4+CF3COOH"	132.026685
"1645269"	454.14608	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+Na+CF3COOH"	136.98208
"1573265"	470.12002	"C13794"	"Pitrazepin"	"C19H19N5"	"317.164"	"M+K+CF3COOH"	152.95602
"804729"	229.2042	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M"	0
"975345"	210.18581	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-H2O-H"	-19.01839
"64314"	151.795524	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M-3H"	-3.021828
"507155"	228.196924	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M-3H"	-3.021828
"883862"	75.394124	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-3H"	-3.021828
"12281"	228.196924	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M-2H"	-2.014552
"451843"	342.799024	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M-2H"	-2.014552
"817613"	113.594824	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-2H"	-2.014552
"79550"	457.401124	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M-H"	-1.007276
"520452"	686.605324	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M-H"	-1.007276
"900442"	228.196924	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-H"	-1.007276
"48255"	474.427671	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M-2H+NH4"	16.019271
"487936"	703.631871	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M-2H+NH4"	16.019271
"869994"	245.223471	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-2H+NH4"	16.019271
"32791"	479.383066	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M-2H+Na"	20.974666
"477454"	708.587266	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M-2H+Na"	20.974666
"860365"	250.178866	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-2H+Na"	20.974666
"1625889"	250.178866	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Na-2H"	20.974666
"99139"	246.185263	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M-H+Cl"	33.962126
"546720"	360.787363	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M-H+Cl"	33.962126
"934401"	131.583163	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-H+Cl"	33.962126
"277332"	493.377802	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+Cl"	34.969402
"667567"	722.582002	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+Cl"	34.969402
"1283251"	264.173602	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Cl"	34.969402
"21434"	495.357006	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M-2H+K"	36.948606
"457710"	724.561206	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M-2H+K"	36.948606
"839161"	266.152806	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-2H+K"	36.948606
"1563014"	266.152806	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+K-2H"	36.948606
"947252"	274.202394	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-H+HCOOH"	44.998194
"364011"	503.406601	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+HCOOH-H"	44.998201
"348988"	517.422251	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+Hac-H"	59.013851
"1498182"	288.218051	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Hac-H"	59.013851
"966455"	296.184351	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-H+NaCOOH"	66.980151
"125201"	264.173602	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+2Cl"	69.938804
"553829"	378.775702	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+2Cl"	69.938804
"1028460"	149.571502	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2Cl"	69.938804
"1242935"	308.123085	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Br"	78.918885
"1315597"	310.179072	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Cl+HCOOH"	80.974872
"1328724"	332.161029	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Cl+NaCOOH"	102.956829
"923060"	342.189786	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M-H+CF3COOH"	112.985586
"1303050"	378.166464	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Cl+CF3COOH"	148.962264
"1381335"	194.191524	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H-2H2O"	-35.012676
"1398408"	212.2015	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H-H2O"	-17.0027
"297910"	459.415676	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+H"	1.007276
"690086"	688.619876	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+H"	1.007276
"1366760"	230.211476	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H"	1.007276
"140907"	230.211476	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+2H"	2.014552
"580837"	344.813576	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+2H"	2.014552
"1052306"	115.609376	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2H"	2.014552
"215586"	153.810076	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+3H"	3.021828
"654781"	230.211476	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+3H"	3.021828
"1174001"	77.408676	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+3H"	3.021828
"435084"	476.442223	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+NH4"	18.033823
"793894"	705.646423	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+NH4"	18.033823
"1688038"	247.238023	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+NH4"	18.033823
"344464"	238.7247495	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+H+NH4"	19.041099
"735305"	353.3268495	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+H+NH4"	19.041099
"1490219"	124.1226495	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H+NH4"	19.041099
"404527"	481.397618	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+Na"	22.989218
"767709"	710.601818	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+Na"	22.989218
"1617632"	252.193418	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Na"	22.989218
"323655"	241.202447	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+H+Na"	23.996494
"718261"	355.804547	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+H+Na"	23.996494
"1472082"	126.600347	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H+Na"	23.996494
"1063139"	84.73599	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2H+Na"	25.00377
"1263723"	262.237686	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+CH3OH+H"	33.033486
"391782"	497.371558	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+K"	38.963158
"746575"	726.575758	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+K"	38.963158
"1547530"	268.167358	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+K"	38.963158
"309087"	249.189417	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+H+K"	39.970434
"702601"	363.791517	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+H+K"	39.970434
"1458245"	134.587317	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H+K"	39.970434
"246851"	500.442226	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+ACN+H"	42.033826
"1222113"	271.238026	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+ACN+H"	42.033826
"1205630"	136.122651	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+ACN+2H"	43.041102
"196679"	503.37956	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+2Na-H"	44.97116
"642437"	732.58376	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+2Na-H"	44.97116
"1137558"	274.17536	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2Na-H"	44.97116
"180849"	252.193418	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+2Na"	45.978436
"620409"	366.795518	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+2Na"	45.978436
"1121366"	137.591318	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2Na"	45.978436
"1405252"	92.063304	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H+2Na"	46.985712
"1434818"	276.216946	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H+HCOOH"	47.012746
"225972"	257.22644	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+3H2O+2H"	56.04448
"1512941"	290.26899	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+IsoProp+H"	61.06479
"421379"	260.180388	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+Na+K"	61.952376
"779096"	374.782488	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+Na+K"	61.952376
"1675427"	145.578288	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Na+K"	61.952376
"259761"	522.424168	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+ACN+Na"	64.015768
"1236843"	293.219968	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+ACN+Na"	64.015768
"1723541"	293.243493	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+NH4+HCOOH"	64.039293
"1188895"	99.390618	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+3Na"	68.967654
"1660975"	298.198888	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Na+HCOOH"	68.994688
"167837"	535.32744	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+2K-H"	76.91904
"605209"	764.53164	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+2K-H"	76.91904
"1091909"	306.12324	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2K-H"	76.91904
"152013"	268.167358	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"2M+2K"	77.926316
"587201"	382.769458	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"3M+2K"	77.926316
"1070620"	153.565258	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2K"	77.926316
"1101759"	308.137792	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2K+H"	78.933592
"1336935"	308.225407	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+DMSO+H"	79.021207
"1009840"	312.264576	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2ACN+H"	83.060376
"1530153"	313.258208	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+IsoProp+Na+H"	84.054008
"995508"	156.635926	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+2ACN+2H"	84.067652
"1592199"	314.172828	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+K+HCOOH"	84.968628
"1416765"	344.204338	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+H+CF3COOH"	115.000138
"1151426"	177.149201	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+3ACN+2H"	125.094202
"1705354"	361.230885	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+NH4+CF3COOH"	132.026685
"1645379"	366.18628	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+Na+CF3COOH"	136.98208
"1572646"	382.16022	"C13795"	"2S-Amino-tridecanoic acid;2S-Amino-tridecanoate;(S)-2-Aminotridecanoic acid"	"C13H27NO2"	"229.2042"	"M+K+CF3COOH"	152.95602
"807026"	287.127	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M"	0
"977278"	268.10861	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-H2O-H"	-19.01839
"63694"	190.410724	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M-3H"	-3.021828
"510545"	286.119724	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M-3H"	-3.021828
"883975"	94.701724	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-3H"	-3.021828
"11298"	286.119724	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M-2H"	-2.014552
"451953"	429.683224	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M-2H"	-2.014552
"828664"	142.556224	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-2H"	-2.014552
"84282"	573.246724	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M-H"	-1.007276
"522750"	860.373724	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M-H"	-1.007276
"896541"	286.119724	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-H"	-1.007276
"50553"	590.273271	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M-2H+NH4"	16.019271
"492300"	877.400271	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M-2H+NH4"	16.019271
"864880"	303.146271	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-2H+NH4"	16.019271
"32539"	595.228666	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M-2H+Na"	20.974666
"475378"	882.355666	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M-2H+Na"	20.974666
"857556"	308.101666	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-2H+Na"	20.974666
"1627090"	308.101666	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Na-2H"	20.974666
"99246"	304.108063	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M-H+Cl"	33.962126
"543181"	447.671563	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M-H+Cl"	33.962126
"930136"	160.544563	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-H+Cl"	33.962126
"269787"	609.223402	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+Cl"	34.969402
"665489"	896.350402	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+Cl"	34.969402
"1283361"	322.096402	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Cl"	34.969402
"24824"	611.202606	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M-2H+K"	36.948606
"455912"	898.329606	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M-2H+K"	36.948606
"834045"	324.075606	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-2H+K"	36.948606
"1557292"	324.075606	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+K-2H"	36.948606
"944811"	332.125194	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-H+HCOOH"	44.998194
"363392"	619.252201	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+HCOOH-H"	44.998201
"348733"	633.267851	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+Hac-H"	59.013851
"1496471"	346.140851	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Hac-H"	59.013851
"961462"	354.107151	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-H+NaCOOH"	66.980151
"119117"	322.096402	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+2Cl"	69.938804
"556491"	465.659902	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+2Cl"	69.938804
"1025654"	178.532902	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2Cl"	69.938804
"1243409"	366.045885	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Br"	78.918885
"1317166"	368.101872	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Cl+HCOOH"	80.974872
"1331021"	390.083829	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Cl+NaCOOH"	102.956829
"920983"	400.112586	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M-H+CF3COOH"	112.985586
"1300608"	436.089264	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Cl+CF3COOH"	148.962264
"1379499"	252.114324	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H-2H2O"	-35.012676
"1396995"	270.1243	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H-H2O"	-17.0027
"298336"	575.261276	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+H"	1.007276
"691128"	862.388276	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+H"	1.007276
"1363993"	288.134276	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H"	1.007276
"139799"	288.134276	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+2H"	2.014552
"577540"	431.697776	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+2H"	2.014552
"1051807"	144.570776	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2H"	2.014552
"216059"	192.425276	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+3H"	3.021828
"655621"	288.134276	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+3H"	3.021828
"1175933"	96.716276	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+3H"	3.021828
"437380"	592.287823	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+NH4"	18.033823
"796190"	879.414823	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+NH4"	18.033823
"1689241"	305.160823	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+NH4"	18.033823
"342992"	296.6475495	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+H+NH4"	19.041099
"735413"	440.2110495	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+H+NH4"	19.041099
"1490328"	153.0840495	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H+NH4"	19.041099
"403542"	597.243218	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+Na"	22.989218
"765631"	884.370218	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+Na"	22.989218
"1614822"	310.116218	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Na"	22.989218
"322672"	299.125247	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+H+Na"	23.996494
"713997"	442.688747	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+H+Na"	23.996494
"1468912"	155.561747	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H+Na"	23.996494
"1061062"	104.04359	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2H+Na"	25.00377
"1266019"	320.160486	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+CH3OH+H"	33.033486
"388966"	613.217158	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+K"	38.963158
"752877"	900.344158	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+K"	38.963158
"1545455"	326.090158	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+K"	38.963158
"312113"	307.112217	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+H+K"	39.970434
"699428"	450.675717	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+H+K"	39.970434
"1455073"	163.548717	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H+K"	39.970434
"247331"	616.287826	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+ACN+H"	42.033826
"1222231"	329.160826	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+ACN+H"	42.033826
"1207567"	165.084051	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+ACN+2H"	43.041102
"201896"	619.22516	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+2Na-H"	44.97116
"639637"	906.35216	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+2Na-H"	44.97116
"1139857"	332.09816	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2Na-H"	44.97116
"182785"	310.116218	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+2Na"	45.978436
"618334"	453.679718	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+2Na"	45.978436
"1125851"	166.552718	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2Na"	45.978436
"1403176"	111.370904	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H+2Na"	46.985712
"1436022"	334.139746	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H+HCOOH"	47.012746
"226082"	315.14924	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+3H2O+2H"	56.04448
"1515236"	348.19179	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+IsoProp+H"	61.06479
"419303"	318.103188	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+Na+K"	61.952376
"777020"	461.666688	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+Na+K"	61.952376
"1672256"	174.539688	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Na+K"	61.952376
"256593"	638.269768	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+ACN+Na"	64.015768
"1233674"	351.142768	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+ACN+Na"	64.015768
"1721468"	351.166293	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+NH4+HCOOH"	64.039293
"1187916"	118.698218	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+3Na"	68.967654
"1663275"	356.121688	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Na+HCOOH"	68.994688
"171960"	651.17304	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+2K-H"	76.91904
"602045"	938.30004	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+2K-H"	76.91904
"1097492"	364.04604	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2K-H"	76.91904
"144463"	326.090158	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"2M+2K"	77.926316
"585121"	469.653658	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"3M+2K"	77.926316
"1072914"	182.526658	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2K"	77.926316
"1102844"	366.060592	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2K+H"	78.933592
"1340324"	366.148207	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+DMSO+H"	79.021207
"1009217"	370.187376	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2ACN+H"	83.060376
"1528070"	371.181008	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+IsoProp+Na+H"	84.054008
"991243"	185.597326	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+2ACN+2H"	84.067652
"1593402"	372.095628	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+K+HCOOH"	84.968628
"1416875"	402.127138	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+H+CF3COOH"	115.000138
"1147160"	206.110601	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+3ACN+2H"	125.094202
"1707652"	419.153685	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+NH4+CF3COOH"	132.026685
"1643302"	424.10908	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+Na+CF3COOH"	136.98208
"1572392"	440.08302	"C13796"	"SR95531"	"C15H17N3O3"	"287.127"	"M+K+CF3COOH"	152.95602
"804948"	304.2151	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M"	0
"975196"	285.19671	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-H2O-H"	-19.01839
"63680"	201.802790666667	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M-3H"	-3.021828
"507375"	303.207824	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M-3H"	-3.021828
"880923"	100.397757333333	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-3H"	-3.021828
"5940"	303.207824	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M-2H"	-2.014552
"452063"	455.315374	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M-2H"	-2.014552
"826587"	151.100274	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-2H"	-2.014552
"82205"	607.422924	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M-H"	-1.007276
"523954"	911.638024	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M-H"	-1.007276
"897380"	303.207824	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-H"	-1.007276
"48473"	624.449471	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M-2H+NH4"	16.019271
"490225"	928.664571	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M-2H+NH4"	16.019271
"869124"	320.234371	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-2H+NH4"	16.019271
"34835"	629.404866	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M-2H+Na"	20.974666
"475488"	933.619966	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M-2H+Na"	20.974666
"854386"	325.189766	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-2H+Na"	20.974666
"1623920"	325.189766	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Na-2H"	20.974666
"96076"	321.196163	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M-H+Cl"	33.962126
"543291"	473.303713	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M-H+Cl"	33.962126
"933526"	169.088613	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-H+Cl"	33.962126
"270990"	643.399602	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+Cl"	34.969402
"664506"	947.614702	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+Cl"	34.969402
"1284930"	339.184502	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Cl"	34.969402
"27851"	645.378806	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M-2H+K"	36.948606
"459025"	949.593906	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M-2H+K"	36.948606
"835736"	341.163706	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-2H+K"	36.948606
"1562141"	341.163706	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+K-2H"	36.948606
"947838"	349.213294	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-H+HCOOH"	44.998194
"364231"	653.428401	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+HCOOH-H"	44.998201
"353947"	667.444051	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+Hac-H"	59.013851
"1498769"	363.228951	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Hac-H"	59.013851
"965218"	371.195251	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-H+NaCOOH"	66.980151
"119957"	339.184502	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+2Cl"	69.938804
"556601"	491.292052	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+2Cl"	69.938804
"1026858"	187.076952	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2Cl"	69.938804
"1246072"	383.133985	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Br"	78.918885
"1315453"	385.189972	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Cl+HCOOH"	80.974872
"1332224"	407.171929	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Cl+NaCOOH"	102.956829
"923280"	417.200686	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M-H+CF3COOH"	112.985586
"1302176"	453.177364	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Cl+CF3COOH"	148.962264
"1380338"	269.202424	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H-2H2O"	-35.012676
"1397105"	287.2124	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H-H2O"	-17.0027
"294603"	609.437476	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+H"	1.007276
"688117"	913.652576	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+H"	1.007276
"1366290"	305.222376	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H"	1.007276
"141262"	305.222376	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+2H"	2.014552
"581173"	457.329926	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+2H"	2.014552
"1052405"	153.114826	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2H"	2.014552
"217993"	203.817342666667	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+3H"	3.021828
"654638"	305.222376	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+3H"	3.021828
"1172761"	102.412309333333	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+3H"	3.021828
"436398"	626.464023	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+NH4"	18.033823
"796300"	930.679123	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+NH4"	18.033823
"1689351"	322.248923	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+NH4"	18.033823
"344560"	313.7356495	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+H+NH4"	19.041099
"736616"	465.8431995	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+H+NH4"	19.041099
"1487160"	161.6280995	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H+NH4"	19.041099
"406568"	631.419418	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+Na"	22.989218
"765741"	935.634518	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+Na"	22.989218
"1613839"	327.204318	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Na"	22.989218
"321686"	316.213347	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+H+Na"	23.996494
"711921"	468.320897	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+H+Na"	23.996494
"1467928"	164.105797	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H+Na"	23.996494
"1062266"	109.739623333333	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2H+Na"	25.00377
"1263941"	337.248586	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+CH3OH+H"	33.033486
"390169"	647.393358	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+K"	38.963158
"754005"	951.608458	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+K"	38.963158
"1547021"	343.178258	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+K"	38.963158
"307120"	324.200317	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+H+K"	39.970434
"696622"	476.307867	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+H+K"	39.970434
"1453360"	172.092767	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H+K"	39.970434
"249625"	650.464026	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+ACN+H"	42.033826
"1223068"	346.248926	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+ACN+H"	42.033826
"1204031"	173.628101	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+ACN+2H"	43.041102
"201275"	653.40136	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+2Na-H"	44.97116
"640835"	957.61646	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+2Na-H"	44.97116
"1141060"	349.18626	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2Na-H"	44.97116
"181071"	327.204318	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+2Na"	45.978436
"622817"	479.311868	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+2Na"	45.978436
"1126324"	175.096768	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2Na"	45.978436
"1409483"	117.066937333333	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H+2Na"	46.985712
"1438683"	351.227846	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H+HCOOH"	47.012746
"231294"	332.23734	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+3H2O+2H"	56.04448
"1513161"	365.27989	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+IsoProp+H"	61.06479
"419415"	335.191288	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+Na+K"	61.952376
"776038"	487.298838	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+Na+K"	61.952376
"1672369"	183.083738	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Na+K"	61.952376
"259619"	672.445968	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+ACN+Na"	64.015768
"1230141"	368.230868	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+ACN+Na"	64.015768
"1722308"	368.254393	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+NH4+HCOOH"	64.039293
"1188026"	124.394251333333	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+3Na"	68.967654
"1663387"	373.209788	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Na+HCOOH"	68.994688
"171219"	685.34924	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+2K-H"	76.91904
"606530"	989.56434	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+2K-H"	76.91904
"1098695"	381.13414	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2K-H"	76.91904
"143845"	343.178258	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"2M+2K"	77.926316
"583043"	495.285808	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"3M+2K"	77.926316
"1073024"	191.070708	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2K"	77.926316
"1103318"	383.148692	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2K+H"	78.933592
"1339341"	383.236307	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+DMSO+H"	79.021207
"1011151"	387.275476	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2ACN+H"	83.060376
"1529273"	388.269108	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+IsoProp+Na+H"	84.054008
"990744"	194.141376	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+2ACN+2H"	84.067652
"1596792"	389.183728	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+K+HCOOH"	84.968628
"1418078"	419.215238	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+H+CF3COOH"	115.000138
"1148729"	214.654651	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+3ACN+2H"	125.094202
"1706668"	436.241785	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+NH4+CF3COOH"	132.026685
"1644505"	441.19718	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+Na+CF3COOH"	136.98208
"1572502"	457.17112	"C13797"	"RU 5135"	"C18H28N2O2"	"304.2151"	"M+K+CF3COOH"	152.95602
"803965"	294.2195	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M"	0
"974942"	275.20111	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"63792"	195.139057333333	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"510765"	293.212224	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"884192"	97.0658906666666	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"2767"	293.212224	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"452902"	440.321974	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"829974"	146.102474	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"82313"	587.431724	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"527341"	881.651224	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"896640"	293.212224	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"48708"	604.458271	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"491428"	898.677771	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"869234"	310.238771	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"34945"	609.413666	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"475597"	903.633166	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"854496"	315.194166	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1625123"	315.194166	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"97279"	311.200563	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"540121"	458.310313	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"931449"	164.090813	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"272194"	623.408402	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"664616"	917.627902	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1283581"	329.188902	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"26137"	625.387606	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"456009"	919.607106	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"835846"	331.168106	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1556294"	331.168106	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"945031"	339.217694	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"364341"	633.437201	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"351505"	647.452851	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1496691"	353.233351	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"964597"	361.199651	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"117148"	329.188902	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"554523"	476.298652	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1026966"	182.079152	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1245815"	373.138385	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1317020"	375.194372	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1331242"	397.176329	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"923389"	407.205086	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1302288"	443.181764	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1380447"	259.206824	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1398065"	277.2168	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"294348"	589.446276	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"687863"	883.665776	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1362755"	295.226776	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"138196"	295.226776	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"571195"	442.336526	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1048378"	148.117026	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"216643"	197.153609333333	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"655112"	295.226776	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1173965"	99.0804426666667	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"437965"	606.472823	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"796410"	900.692323	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1688368"	312.253323	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"343941"	303.7400495	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"733446"	450.8497995	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1490185"	156.6302995	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"404854"	611.428218	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"764759"	905.647718	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1615042"	317.208718	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"320703"	306.217747	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"713124"	453.327497	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1469132"	159.107997	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1062376"	106.407756666667	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1267331"	327.252986	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"391373"	627.402158	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"752368"	921.621658	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1544583"	333.182658	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"307230"	314.204717	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"696733"	461.314467	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1454564"	167.094967	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"247542"	630.472826	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1222450"	336.253326	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1206328"	168.630301	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"200292"	633.41016	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"640945"	927.62966	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1141170"	339.19066	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"181181"	317.208718	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"621835"	464.318468	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1126071"	170.098968	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1407771"	113.735070666667	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1438794"	341.232246	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"228489"	322.24174	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1511450"	355.28429	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"422076"	325.195688	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"775055"	472.305438	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1673573"	178.085938	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"260822"	652.454768	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1235718"	358.235268	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1722418"	358.258793	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1188136"	121.062384666667	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1665199"	363.214188	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"172180"	665.35804	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"607733"	959.57754	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1098684"	371.13854	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"146871"	333.182658	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"586434"	480.292408	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1076415"	186.072908	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1107439"	373.153092	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1338358"	373.240707	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1010166"	377.279876	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1530476"	378.273508	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"991463"	189.143576	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1595809"	379.188128	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1418188"	409.219638	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1148475"	209.656851	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1707871"	426.246185	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1641335"	431.20158	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1574799"	447.17552	"C13798"	"8-(5-Hexyl-furan-2-yl)-octanoic acid;8-(5-Hexyl-furan-2-yl)-octanoate"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"807355"	383.1369	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M"	0
"977605"	364.11851	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H2O-H"	-19.01839
"68035"	254.417324	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-3H"	-3.021828
"511968"	382.129624	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-3H"	-3.021828
"889771"	126.705024	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-3H"	-3.021828
"7253"	382.129624	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H"	-2.014552
"452283"	573.698074	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H"	-2.014552
"828990"	190.561174	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H"	-2.014552
"88983"	765.266524	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-H"	-1.007276
"527452"	1148.403424	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-H"	-1.007276
"897599"	382.129624	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H"	-1.007276
"51976"	782.293071	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H+NH4"	16.019271
"488255"	1165.429971	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H+NH4"	16.019271
"872260"	399.156171	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H+NH4"	16.019271
"35055"	787.248466	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H+Na"	20.974666
"472427"	1170.385366	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H+Na"	20.974666
"850230"	404.111566	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H+Na"	20.974666
"1624140"	404.111566	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na-2H"	20.974666
"97388"	400.117963	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-H+Cl"	33.962126
"540230"	591.686413	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-H+Cl"	33.962126
"933746"	208.549513	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+Cl"	33.962126
"276677"	801.243202	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Cl"	34.969402
"666913"	1184.380102	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+Cl"	34.969402
"1283691"	418.106302	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl"	34.969402
"26248"	803.222406	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M-2H+K"	36.948606
"456199"	1186.359306	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M-2H+K"	36.948606
"833034"	420.085506	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-2H+K"	36.948606
"1555834"	420.085506	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K-2H"	36.948606
"949516"	428.135094	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+HCOOH"	44.998194
"364451"	811.272001	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+HCOOH-H"	44.998201
"348697"	825.287651	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Hac-H"	59.013851
"1495709"	442.150751	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Hac-H"	59.013851
"963614"	450.117051	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+NaCOOH"	66.980151
"114708"	418.106302	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2Cl"	69.938804
"554269"	609.674752	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2Cl"	69.938804
"1028535"	226.537852	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2Cl"	69.938804
"1246292"	462.055785	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Br"	78.918885
"1317496"	464.111772	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl+HCOOH"	80.974872
"1330988"	486.093729	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl+NaCOOH"	102.956829
"923499"	496.122486	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M-H+CF3COOH"	112.985586
"1301304"	532.099164	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Cl+CF3COOH"	148.962264
"1380922"	348.124224	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H-2H2O"	-35.012676
"1397324"	366.1342	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H-H2O"	-17.0027
"295552"	767.281076	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H"	1.007276
"687973"	1150.417976	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H"	1.007276
"1363230"	384.144176	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H"	1.007276
"139764"	384.144176	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2H"	2.014552
"577867"	575.712626	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2H"	2.014552
"1049948"	192.575726	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2H"	2.014552
"216999"	256.431876	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+3H"	3.021828
"657289"	384.144176	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+3H"	3.021828
"1175897"	128.719576	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+3H"	3.021828
"437955"	784.307623	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+NH4"	18.033823
"797979"	1167.444523	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+NH4"	18.033823
"1690664"	401.170723	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+NH4"	18.033823
"342957"	392.6574495	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H+NH4"	19.041099
"733557"	584.2258995	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H+NH4"	19.041099
"1488473"	201.0889995	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+NH4"	19.041099
"401683"	789.263018	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Na"	22.989218
"763775"	1172.399918	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+Na"	22.989218
"1613331"	406.126118	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na"	22.989218
"325918"	395.135147	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H+Na"	23.996494
"719797"	586.703597	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H+Na"	23.996494
"1467055"	203.566697	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+Na"	23.996494
"1059205"	136.04689	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2H+Na"	25.00377
"1261977"	416.170386	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+CH3OH+H"	33.033486
"384922"	805.236958	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+K"	38.963158
"748105"	1188.373858	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+K"	38.963158
"1544693"	422.100058	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K"	38.963158
"310256"	403.122117	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+H+K"	39.970434
"698666"	594.690567	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+H+K"	39.970434
"1456133"	211.553667	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+K"	39.970434
"250326"	808.307626	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+ACN+H"	42.033826
"1223648"	425.170726	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+ACN+H"	42.033826
"1208262"	213.089001	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+ACN+2H"	43.041102
"201131"	811.24496	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2Na-H"	44.97116
"640691"	1194.38186	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2Na-H"	44.97116
"1141280"	428.10806	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2Na-H"	44.97116
"178011"	406.126118	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2Na"	45.978436
"620850"	597.694568	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2Na"	45.978436
"1124357"	214.557668	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2Na"	45.978436
"1408246"	143.374204	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+2Na"	46.985712
"1437810"	430.149646	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+HCOOH"	47.012746
"227503"	411.15914	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+3H2O+2H"	56.04448
"1515569"	444.20169	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+IsoProp+H"	61.06479
"415259"	414.113088	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+Na+K"	61.952376
"779541"	605.681538	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+Na+K"	61.952376
"1677694"	222.544638	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na+K"	61.952376
"263120"	830.289568	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+ACN+Na"	64.015768
"1238745"	447.152668	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+ACN+Na"	64.015768
"1722528"	447.176193	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+NH4+HCOOH"	64.039293
"1190069"	150.701518	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+3Na"	68.967654
"1665478"	452.131588	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na+HCOOH"	68.994688
"171805"	843.19284	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2K-H"	76.91904
"607843"	1226.32974	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2K-H"	76.91904
"1095635"	460.05594	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2K-H"	76.91904
"146983"	422.100058	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"2M+2K"	77.926316
"588732"	613.668508	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"3M+2K"	77.926316
"1073244"	230.531608	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2K"	77.926316
"1108643"	462.070492	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2K+H"	78.933592
"1342842"	462.158107	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+DMSO+H"	79.021207
"1009183"	466.197276	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2ACN+H"	83.060376
"1528400"	467.190908	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+IsoProp+Na+H"	84.054008
"991573"	233.602276	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+2ACN+2H"	84.067652
"1593732"	468.105528	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K+HCOOH"	84.968628
"1418298"	498.137038	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+H+CF3COOH"	115.000138
"1148585"	254.115551	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+3ACN+2H"	125.094202
"1710170"	515.163585	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+NH4+CF3COOH"	132.026685
"1641445"	520.11898	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+Na+CF3COOH"	136.98208
"1577096"	536.09292	"C13799"	"()-Hydrastine;()-beta-Hydrastine"	"C21H21NO6"	"383.1369"	"M+K+CF3COOH"	152.95602
"804185"	325.2253	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M"	0
"977716"	306.20691	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H2O-H"	-19.01839
"65228"	215.809590666667	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-3H"	-3.021828
"510983"	324.218024	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-3H"	-3.021828
"892795"	107.401157333333	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-3H"	-3.021828
"8455"	324.218024	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H"	-2.014552
"444736"	486.830674	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H"	-2.014552
"824725"	161.605374	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H"	-2.014552
"81439"	649.443324	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-H"	-1.007276
"524278"	974.668624	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-H"	-1.007276
"896005"	324.218024	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H"	-1.007276
"48190"	666.469871	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H+NH4"	16.019271
"487995"	991.695171	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H+NH4"	16.019271
"865429"	341.244571	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H+NH4"	16.019271
"34072"	671.425266	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H+Na"	20.974666
"471757"	996.650566	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H+Na"	20.974666
"848532"	346.199966	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H+Na"	20.974666
"1624250"	346.199966	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na-2H"	20.974666
"96405"	342.206363	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-H+Cl"	33.962126
"540338"	504.819013	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-H+Cl"	33.962126
"927617"	179.593713	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+Cl"	33.962126
"268402"	685.420002	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Cl"	34.969402
"660336"	1010.645302	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+Cl"	34.969402
"1272983"	360.194702	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl"	34.969402
"21981"	687.399206	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H+K"	36.948606
"455695"	1012.624506	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H+K"	36.948606
"833386"	362.173906	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H+K"	36.948606
"1556022"	362.173906	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K-2H"	36.948606
"949626"	370.223494	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+HCOOH"	44.998194
"365656"	695.448801	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+HCOOH-H"	44.998201
"347351"	709.464451	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Hac-H"	59.013851
"1493225"	384.239151	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Hac-H"	59.013851
"960808"	392.205451	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+NaCOOH"	66.980151
"110443"	360.194702	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2Cl"	69.938804
"554015"	522.807352	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2Cl"	69.938804
"1022813"	197.582052	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2Cl"	69.938804
"1243485"	404.144185	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Br"	78.918885
"1317241"	406.200172	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl+HCOOH"	80.974872
"1332555"	428.182129	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl+NaCOOH"	102.956829
"923609"	438.210886	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+CF3COOH"	112.985586
"1301415"	474.187564	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl+CF3COOH"	148.962264
"1382127"	290.212624	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H-2H2O"	-35.012676
"1397799"	308.2226	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H-H2O"	-17.0027
"296026"	651.457876	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H"	1.007276
"688448"	976.683176	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H"	1.007276
"1364434"	326.232576	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H"	1.007276
"139874"	326.232576	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2H"	2.014552
"577248"	488.845226	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2H"	2.014552
"1050057"	163.619926	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2H"	2.014552
"217594"	217.824142666667	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+3H"	3.021828
"657156"	326.232576	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+3H"	3.021828
"1175643"	109.415709333333	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+3H"	3.021828
"437458"	668.484423	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+NH4"	18.033823
"798088"	993.709723	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+NH4"	18.033823
"1690411"	343.259123	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+NH4"	18.033823
"342336"	334.7458495	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H+NH4"	19.041099
"733667"	497.3584995	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H+NH4"	19.041099
"1489312"	172.1331995	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+NH4"	19.041099
"399607"	673.439818	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Na"	22.989218
"763885"	998.665118	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+Na"	22.989218
"1613076"	348.214518	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na"	22.989218
"322748"	337.223547	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H+Na"	23.996494
"719542"	499.836197	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H+Na"	23.996494
"1467165"	174.610897	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+Na"	23.996494
"1059316"	116.743023333333	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2H+Na"	25.00377
"1263179"	358.258786	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+CH3OH+H"	33.033486
"386126"	689.413758	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+K"	38.963158
"748215"	1014.639058	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+K"	38.963158
"1544800"	364.188458	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K"	38.963158
"301981"	345.210517	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H+K"	39.970434
"696588"	507.823167	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H+K"	39.970434
"1454419"	182.597867	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+K"	39.970434
"246670"	692.484426	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+ACN+H"	42.033826
"1218292"	367.259126	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+ACN+H"	42.033826
"1204361"	184.133201	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+ACN+2H"	43.041102
"199054"	695.42176	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2Na-H"	44.97116
"636793"	1020.64706	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2Na-H"	44.97116
"1137017"	370.19646	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2Na-H"	44.97116
"177028"	348.214518	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2Na"	45.978436
"616587"	510.827168	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2Na"	45.978436
"1122280"	185.601868	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2Na"	45.978436
"1408356"	124.070337333333	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+2Na"	46.985712
"1437920"	372.238046	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+HCOOH"	47.012746
"227613"	353.24754	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+3H2O+2H"	56.04448
"1509602"	386.29009	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+IsoProp+H"	61.06479
"415369"	356.201488	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Na+K"	61.952376
"778559"	518.814138	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+Na+K"	61.952376
"1673795"	193.588838	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na+K"	61.952376
"262137"	714.466368	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+ACN+Na"	64.015768
"1236304"	389.241068	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+ACN+Na"	64.015768
"1720815"	389.264593	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+NH4+HCOOH"	64.039293
"1191516"	131.397651333333	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+3Na"	68.967654
"1663719"	394.219988	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na+HCOOH"	68.994688
"171671"	727.36964	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2K-H"	76.91904
"605766"	1052.59494	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2K-H"	76.91904
"1099025"	402.14434	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2K-H"	76.91904
"146000"	364.188458	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2K"	77.926316
"592122"	526.801108	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2K"	77.926316
"1073354"	201.575808	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2K"	77.926316
"1108753"	404.158892	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2K+H"	78.933592
"1340765"	404.246507	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+DMSO+H"	79.021207
"1009293"	408.285676	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2ACN+H"	83.060376
"1526322"	409.279308	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+IsoProp+Na+H"	84.054008
"991683"	204.646476	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2ACN+2H"	84.067652
"1593842"	410.193928	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K+HCOOH"	84.968628
"1415128"	440.225438	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+CF3COOH"	115.000138
"1148695"	225.159751	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+3ACN+2H"	125.094202
"1710279"	457.251985	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+NH4+CF3COOH"	132.026685
"1641555"	462.20738	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na+CF3COOH"	136.98208
"1575019"	478.18132	"C13800"	"10-Nitrolinoleic acid;10-nitro-9-cis12-cis-octadecadienoic acid;10-nitro-9-cis12-cis-octadecadienoate;(9E12Z)-10-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K+CF3COOH"	152.95602
"807576"	350.2093	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M"	0
"977825"	331.19091	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"67162"	232.465590666667	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"511094"	349.202024	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"887802"	115.729157333333	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"7470"	349.202024	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"444846"	524.306674	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"822648"	174.097374	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"83736"	699.411324	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"525481"	1049.620624	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"897452"	349.202024	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"48183"	716.437871	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"488471"	1066.647171	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"868087"	366.228571	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"37463"	721.393266	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"473743"	1071.602566	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"852639"	371.183966	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1626548"	371.183966	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"96515"	367.190363	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"540448"	542.295013	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"930685"	192.085713	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"268148"	735.388002	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"660446"	1085.597302	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1273214"	385.178702	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"22091"	737.367206	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"457280"	1087.576506	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"834353"	387.157906	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1556382"	387.157906	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"947550"	395.207494	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"367953"	745.416801	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"349649"	759.432451	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1495929"	409.223151	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"961646"	417.189451	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"111645"	385.178702	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"556677"	560.283352	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1024380"	210.074052	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1245052"	429.128185	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1316258"	431.184172	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1331573"	453.166129	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"923720"	463.194886	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1301525"	499.171564	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1381507"	315.196624	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1396815"	333.2066	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"295770"	701.425876	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"683818"	1051.635176	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1364909"	351.216576	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"139255"	351.216576	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"575899"	526.321226	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1050165"	176.111926	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"217335"	234.480142666667	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"658841"	351.216576	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1177088"	117.743709333333	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"438903"	718.452423	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"797833"	1068.661723	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1691978"	368.243123	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"343539"	359.7298495	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"733778"	534.8344995	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1488693"	184.6251995	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"404091"	723.407818	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"762902"	1073.617118	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1615008"	373.198518	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"325408"	362.207547	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"720382"	537.312197	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1469462"	187.102897	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1061612"	125.071023333333	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1263289"	383.242786	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"387332"	739.381758	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"748326"	1089.591058	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1546003"	389.172458	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"303184"	370.194517	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"697791"	545.299167	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1454893"	195.089867	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"249938"	742.452426	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1218402"	392.243126	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1204471"	196.625201	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"199894"	745.38976	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"636904"	1095.59906	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1138221"	395.18046	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"180416"	373.198518	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"618883"	548.303168	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1121298"	198.093868	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1405913"	132.398337333333	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1439853"	397.222046	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"227723"	378.23154	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1509470"	411.27409	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"413293"	381.185488	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"781949"	556.290138	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1670625"	206.080838	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"265163"	764.434368	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1240059"	414.225068	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1723112"	414.248593	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1193206"	139.725651333333	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1663829"	419.203988	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"172511"	777.33764	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"605876"	1127.54694	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1099014"	427.12834	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"149392"	389.172458	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"592232"	564.277108	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1076744"	214.067808	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1108863"	429.142892	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1343062"	429.230507	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1008310"	433.269676	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1525096"	434.263308	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"993981"	217.138476	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1587633"	435.177928	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1418518"	465.209438	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1147144"	237.651751	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1710389"	482.235985	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1644945"	487.19138	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1575128"	503.16532	"C13802"	"Prostaglandin D3"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"815339"	332.2351	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M"	0
"977937"	313.21671	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"70553"	220.482790666667	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"515580"	331.227824	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"891194"	109.737757333333	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"9770"	331.227824	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"450424"	497.345374	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"830293"	165.110274	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"86032"	663.462924	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"526683"	995.698024	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"899023"	331.227824	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"50117"	680.489471	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"489309"	1012.724571	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"865046"	348.254371	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"35386"	685.444866	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"471742"	1017.679966	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"852749"	353.209766	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1626658"	353.209766	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"99905"	349.216163	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"540559"	515.333713	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"932983"	183.098613	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"272633"	699.439602	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"665055"	1031.674702	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1278552"	367.204502	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"22202"	701.418806	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"456004"	1033.653906	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"833603"	369.183706	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1556970"	369.183706	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"947659"	377.233294	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"363324"	709.468401	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"347935"	723.484051	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1494335"	391.248951	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"959322"	399.215251	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"111391"	367.204502	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"552043"	533.322052	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1024490"	201.086952	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1242974"	411.153985	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1304446"	413.209972	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1328397"	435.191929	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"918361"	445.220686	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1304023"	481.197364	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1377605"	297.222424	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1396195"	315.2324	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"294787"	665.477476	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"683928"	997.712576	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1366112"	333.242376	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"140460"	333.242376	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"578197"	499.359926	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1049914"	167.124826	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"215622"	222.497342666667	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"658828"	333.242376	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1175859"	111.752309333333	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"438407"	682.504023	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"797576"	1014.739123	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1692088"	350.268923	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"344988"	341.7556495	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"734981"	507.8731995	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1489896"	175.6380995	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"405295"	687.459418	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"763011"	1019.694518	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1617667"	355.224318	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"325520"	344.233347	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"719034"	510.350897	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1467384"	178.115797	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1058441"	119.079623333333	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1263400"	365.268586	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"388535"	703.433358	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"746249"	1035.668458	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1545021"	371.198258	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"303659"	352.220317	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"697901"	518.337867	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1455003"	186.102767	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"250781"	706.504026	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1219607"	374.268926	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1201303"	187.638101	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"195266"	709.44136	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"639932"	1041.67646	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1140518"	377.20626	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"181620"	355.224318	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"620088"	521.341868	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1122501"	189.106768	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1408212"	126.406937333333	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1437047"	379.247846	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"225649"	360.25734	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1509212"	393.29989	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"412310"	363.211288	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"783881"	529.328838	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1677659"	197.093738	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"263814"	728.485968	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1239804"	396.250868	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1722859"	396.274393	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1190766"	133.734251333333	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1663937"	401.229788	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"170433"	741.38924	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"609267"	1073.62434	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1092684"	409.15414	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"149502"	371.198258	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"595502"	537.315808	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1080136"	205.080708	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1103505"	411.168692	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1339891"	411.256307	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1006352"	415.295476	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1524961"	416.289108	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"990559"	208.151376	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1590781"	417.203728	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1415347"	447.235238	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1147146"	228.664651	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1701750"	464.261785	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1638495"	469.21718	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1572322"	485.19112	"C13803"	"Alphaxalone;Alfaxalone"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"814355"	437.2697	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M"	0
"978048"	418.25131	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-H2O-H"	-19.01839
"70663"	290.505857333333	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M-3H"	-3.021828
"511317"	436.262424	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M-3H"	-3.021828
"893491"	144.749290666667	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-3H"	-3.021828
"12066"	436.262424	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M-2H"	-2.014552
"451629"	654.897274	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M-2H"	-2.014552
"828336"	217.627574	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-2H"	-2.014552
"87235"	873.532124	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M-H"	-1.007276
"532140"	1310.801824	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M-H"	-1.007276
"901319"	436.262424	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-H"	-1.007276
"54600"	890.558671	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M-2H+NH4"	16.019271
"495255"	1327.828371	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M-2H+NH4"	16.019271
"866497"	453.288971	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-2H+NH4"	16.019271
"35496"	895.514066	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M-2H+Na"	20.974666
"472260"	1332.783766	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M-2H+Na"	20.974666
"851765"	458.244366	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-2H+Na"	20.974666
"1625675"	458.244366	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Na-2H"	20.974666
"100015"	454.250763	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M-H+Cl"	33.962126
"540669"	672.885613	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M-H+Cl"	33.962126
"933093"	235.615913	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-H+Cl"	33.962126
"272743"	909.508802	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+Cl"	34.969402
"666258"	1346.778502	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+Cl"	34.969402
"1278662"	472.239102	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Cl"	34.969402
"22311"	911.488006	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M-2H+K"	36.948606
"456881"	1348.757706	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M-2H+K"	36.948606
"834443"	474.218306	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-2H+K"	36.948606
"1558783"	474.218306	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+K-2H"	36.948606
"943758"	482.267894	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-H+HCOOH"	44.998194
"364526"	919.537601	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+HCOOH-H"	44.998201
"346950"	933.553251	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+Hac-H"	59.013851
"1494688"	496.283551	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Hac-H"	59.013851
"961129"	504.249851	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-H+NaCOOH"	66.980151
"111501"	472.239102	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+2Cl"	69.938804
"556893"	690.873952	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+2Cl"	69.938804
"1025328"	253.604252	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2Cl"	69.938804
"1245271"	516.188585	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Br"	78.918885
"1305534"	518.244572	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Cl+HCOOH"	80.974872
"1329600"	540.226529	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Cl+NaCOOH"	102.956829
"917378"	550.255286	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M-H+CF3COOH"	112.985586
"1300648"	586.231964	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Cl+CF3COOH"	148.962264
"1379902"	402.257024	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H-2H2O"	-35.012676
"1396305"	420.267	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H-H2O"	-17.0027
"294897"	875.546676	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+H"	1.007276
"686224"	1312.816376	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+H"	1.007276
"1365861"	438.276976	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H"	1.007276
"139478"	438.276976	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+2H"	2.014552
"579768"	656.911826	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+2H"	2.014552
"1050390"	219.642126	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2H"	2.014552
"216461"	292.520409333333	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+3H"	3.021828
"659586"	438.276976	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+3H"	3.021828
"1173418"	146.763842666667	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+3H"	3.021828
"438879"	892.573223	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+NH4"	18.033823
"797686"	1329.842923	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+NH4"	18.033823
"1694385"	455.303523	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+NH4"	18.033823
"345219"	446.7902495	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+H+NH4"	19.041099
"736187"	665.4250995	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+H+NH4"	19.041099
"1488914"	228.1553995	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H+NH4"	19.041099
"405408"	897.528618	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+Na"	22.989218
"763121"	1334.798318	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+Na"	22.989218
"1615232"	460.258918	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Na"	22.989218
"326726"	449.267947	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+H+Na"	23.996494
"722019"	667.902797	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+H+Na"	23.996494
"1470775"	230.633097	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H+Na"	23.996494
"1065111"	154.091156666667	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2H+Na"	25.00377
"1268976"	470.303186	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+CH3OH+H"	33.033486
"388645"	913.502558	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+K"	38.963158
"750732"	1350.772258	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+K"	38.963158
"1551695"	476.232858	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+K"	38.963158
"308872"	457.254917	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+H+K"	39.970434
"700198"	675.889767	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+H+K"	39.970434
"1458395"	238.620067	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H+K"	39.970434
"251302"	916.573226	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+ACN+H"	42.033826
"1218624"	479.303526	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+ACN+H"	42.033826
"1202507"	240.155401	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+ACN+2H"	43.041102
"200481"	919.51056	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+2Na-H"	44.97116
"642230"	1356.78026	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+2Na-H"	44.97116
"1139536"	482.24086	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2Na-H"	44.97116
"183920"	460.258918	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+2Na"	45.978436
"624572"	678.893768	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+2Na"	45.978436
"1126984"	241.624068	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2Na"	45.978436
"1411236"	161.418470666667	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H+2Na"	46.985712
"1438250"	484.282446	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H+HCOOH"	47.012746
"229040"	465.29194	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+3H2O+2H"	56.04448
"1510174"	498.33449	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+IsoProp+H"	61.06479
"412420"	468.245888	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+Na+K"	61.952376
"778888"	686.880738	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+Na+K"	61.952376
"1675217"	249.611038	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Na+K"	61.952376
"264288"	938.555168	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+ACN+Na"	64.015768
"1236998"	501.285468	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+ACN+Na"	64.015768
"1722240"	501.308993	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+NH4+HCOOH"	64.039293
"1190877"	168.745784666667	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+3Na"	68.967654
"1664048"	506.264388	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Na+HCOOH"	68.994688
"172248"	951.45844	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+2K-H"	76.91904
"609377"	1388.72814	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+2K-H"	76.91904
"1099315"	514.18874	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2K-H"	76.91904
"147425"	476.232858	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"2M+2K"	77.926316
"595612"	694.867708	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"3M+2K"	77.926316
"1076965"	257.598008	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2K"	77.926316
"1106896"	516.203292	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2K+H"	78.933592
"1340001"	516.290907	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+DMSO+H"	79.021207
"1007801"	520.330076	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2ACN+H"	83.060376
"1526655"	521.323708	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+IsoProp+Na+H"	84.054008
"992736"	260.668676	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+2ACN+2H"	84.067652
"1590891"	522.238328	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+K+HCOOH"	84.968628
"1415457"	552.269838	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+H+CF3COOH"	115.000138
"1147929"	281.181951	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+3ACN+2H"	125.094202
"1700767"	569.296385	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+NH4+CF3COOH"	132.026685
"1647353"	574.25178	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+Na+CF3COOH"	136.98208
"1580816"	590.22572	"C13804"	"ORG 20599"	"C25H40ClNO3"	"437.2697"	"M+K+CF3COOH"	152.95602
"814469"	268.1212	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M"	0
"989093"	249.10281	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-H2O-H"	-19.01839
"78544"	177.740190666667	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M-3H"	-3.021828
"514706"	267.113924	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M-3H"	-3.021828
"891417"	88.3664573333333	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-3H"	-3.021828
"15098"	267.113924	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M-2H"	-2.014552
"455226"	401.174524	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M-2H"	-2.014552
"830275"	133.053324	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-2H"	-2.014552
"88438"	535.235124	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M-H"	-1.007276
"531886"	803.356324	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M-H"	-1.007276
"906896"	267.113924	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-H"	-1.007276
"57990"	552.261671	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M-2H+NH4"	16.019271
"496458"	820.382871	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M-2H+NH4"	16.019271
"872070"	284.140471	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-2H+NH4"	16.019271
"45453"	557.217066	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M-2H+Na"	20.974666
"483919"	825.338266	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M-2H+Na"	20.974666
"861722"	289.095866	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-2H+Na"	20.974666
"1627974"	289.095866	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Na-2H"	20.974666
"105595"	285.102263	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M-H+Cl"	33.962126
"544791"	419.162863	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M-H+Cl"	33.962126
"934297"	151.041663	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-H+Cl"	33.962126
"278321"	571.211802	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+Cl"	34.969402
"668555"	839.333002	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+Cl"	34.969402
"1282418"	303.090602	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Cl"	34.969402
"26797"	573.191006	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M-2H+K"	36.948606
"457608"	841.312206	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M-2H+K"	36.948606
"835410"	305.069806	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-2H+K"	36.948606
"1557073"	305.069806	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+K-2H"	36.948606
"948975"	313.119394	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-H+HCOOH"	44.998194
"364274"	581.240601	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+HCOOH-H"	44.998201
"354355"	595.256251	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+Hac-H"	59.013851
"1496626"	327.135051	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Hac-H"	59.013851
"962344"	335.101351	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-H+NaCOOH"	66.980151
"112706"	303.090602	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+2Cl"	69.938804
"554091"	437.151202	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+2Cl"	69.938804
"1023981"	169.030002	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2Cl"	69.938804
"1242828"	347.040085	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Br"	78.918885
"1305280"	349.096072	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Cl+HCOOH"	80.974872
"1328617"	371.078029	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Cl+NaCOOH"	102.956829
"920771"	381.106786	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M-H+CF3COOH"	112.985586
"1299667"	417.083464	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Cl+CF3COOH"	148.962264
"1379649"	233.108524	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H-2H2O"	-35.012676
"1396415"	251.1185	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H-H2O"	-17.0027
"292820"	537.249676	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+H"	1.007276
"688524"	805.370876	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+H"	1.007276
"1366336"	269.128476	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H"	1.007276
"141319"	269.128476	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+2H"	2.014552
"578783"	403.189076	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+2H"	2.014552
"1051591"	135.067876	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2H"	2.014552
"218764"	179.754742666667	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+3H"	3.021828
"658931"	269.128476	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+3H"	3.021828
"1175722"	90.3810093333333	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+3H"	3.021828
"438265"	554.276223	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+NH4"	18.033823
"798894"	822.397423	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+NH4"	18.033823
"1694497"	286.155023	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+NH4"	18.033823
"344965"	277.6417495	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+H+NH4"	19.041099
"733017"	411.7023495	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+H+NH4"	19.041099
"1490118"	143.5811495	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H+NH4"	19.041099
"402238"	559.231618	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+Na"	22.989218
"768699"	827.352818	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+Na"	22.989218
"1615706"	291.110418	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Na"	22.989218
"329023"	280.119447	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+H+Na"	23.996494
"722178"	414.180047	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+H+Na"	23.996494
"1474899"	146.058847	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H+Na"	23.996494
"1067777"	97.7083233333333	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2H+Na"	25.00377
"1272379"	301.154686	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+CH3OH+H"	33.033486
"391675"	575.205558	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+K"	38.963158
"751939"	843.326758	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+K"	38.963158
"1549618"	307.084358	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+K"	38.963158
"313359"	288.106417	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+H+K"	39.970434
"702497"	422.167017	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+H+K"	39.970434
"1456318"	154.045817	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H+K"	39.970434
"248563"	578.276226	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+ACN+H"	42.033826
"1218734"	310.155026	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+ACN+H"	42.033826
"1201524"	155.581151	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+ACN+2H"	43.041102
"199498"	581.21356	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+2Na-H"	44.97116
"642703"	849.33476	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+2Na-H"	44.97116
"1140740"	313.09236	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2Na-H"	44.97116
"185121"	291.110418	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+2Na"	45.978436
"621401"	425.171018	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+2Na"	45.978436
"1126002"	157.049818	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2Na"	45.978436
"1408429"	105.035637333333	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H+2Na"	46.985712
"1436174"	315.133946	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H+HCOOH"	47.012746
"228058"	296.14344	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+3H2O+2H"	56.04448
"1513931"	329.18599	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+IsoProp+H"	61.06479
"421279"	299.097388	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+Na+K"	61.952376
"780095"	433.157988	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+Na+K"	61.952376
"1669862"	165.036788	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Na+K"	61.952376
"264401"	600.258168	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+ACN+Na"	64.015768
"1240755"	332.136968	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+ACN+Na"	64.015768
"1722350"	332.160493	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+NH4+HCOOH"	64.039293
"1189892"	112.362951333333	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+3Na"	68.967654
"1659786"	337.115888	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Na+HCOOH"	68.994688
"171752"	613.16144	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+2K-H"	76.91904
"611676"	881.28264	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+2K-H"	76.91904
"1099107"	345.04024	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2K-H"	76.91904
"147535"	307.084358	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"2M+2K"	77.926316
"589282"	441.144958	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"3M+2K"	77.926316
"1077075"	173.023758	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2K"	77.926316
"1110288"	347.054792	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2K+H"	78.933592
"1340111"	347.142407	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+DMSO+H"	79.021207
"1011923"	351.181576	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2ACN+H"	83.060376
"1527860"	352.175208	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+IsoProp+Na+H"	84.054008
"993212"	176.094426	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+2ACN+2H"	84.067652
"1588206"	353.089828	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+K+HCOOH"	84.968628
"1415690"	383.121338	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+H+CF3COOH"	115.000138
"1150232"	196.607701	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+3ACN+2H"	125.094202
"1698690"	400.147885	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+NH4+CF3COOH"	132.026685
"1645276"	405.10328	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+Na+CF3COOH"	136.98208
"1578739"	421.07722	"C13805"	"N-Butyl-beta-carboline-3-carboxylate"	"C16H16N2O2"	"268.1212"	"M+K+CF3COOH"	152.95602
"814575"	435.3209	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M"	0
"988108"	416.30251	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-H2O-H"	-19.01839
"75257"	289.206657333333	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M-3H"	-3.021828
"515911"	434.313624	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M-3H"	-3.021828
"892619"	144.099690666667	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-3H"	-3.021828
"14479"	434.313624	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M-2H"	-2.014552
"454406"	651.974074	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M-2H"	-2.014552
"830388"	216.653174	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-2H"	-2.014552
"92560"	869.634524	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M-H"	-1.007276
"531390"	1304.955424	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M-H"	-1.007276
"908099"	434.313624	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-H"	-1.007276
"54819"	886.661071	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M-2H+NH4"	16.019271
"495475"	1321.981971	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M-2H+NH4"	16.019271
"868901"	451.340171	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-2H+NH4"	16.019271
"45927"	891.616466	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M-2H+Na"	20.974666
"485123"	1326.937366	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M-2H+Na"	20.974666
"862925"	456.295566	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-2H+Na"	20.974666
"1632459"	456.295566	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Na-2H"	20.974666
"104248"	452.301963	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M-H+Cl"	33.962126
"543808"	669.962413	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M-H+Cl"	33.962126
"934407"	234.641513	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-H+Cl"	33.962126
"278066"	905.611202	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+Cl"	34.969402
"668665"	1340.932102	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+Cl"	34.969402
"1281069"	470.290302	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Cl"	34.969402
"24718"	907.590406	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M-2H+K"	36.948606
"458811"	1342.911306	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M-2H+K"	36.948606
"834791"	472.269506	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-2H+K"	36.948606
"1557913"	472.269506	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+K-2H"	36.948606
"952366"	480.319094	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-H+HCOOH"	44.998194
"372768"	915.640001	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+HCOOH-H"	44.998201
"354465"	929.655651	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+Hac-H"	59.013851
"1496736"	494.334751	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Hac-H"	59.013851
"962090"	502.301051	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-H+NaCOOH"	66.980151
"112816"	470.290302	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+2Cl"	69.938804
"557117"	687.950752	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+2Cl"	69.938804
"1025550"	252.629852	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2Cl"	69.938804
"1242210"	514.239785	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Br"	78.918885
"1307579"	516.295772	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Cl+HCOOH"	80.974872
"1329820"	538.277729	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Cl+NaCOOH"	102.956829
"923796"	548.306486	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M-H+CF3COOH"	112.985586
"1300870"	584.283164	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Cl+CF3COOH"	148.962264
"1377936"	400.308224	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H-2H2O"	-35.012676
"1395432"	418.3182	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H-H2O"	-17.0027
"292930"	871.649076	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+H"	1.007276
"689727"	1306.969976	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+H"	1.007276
"1366957"	436.328176	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H"	1.007276
"140061"	436.328176	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+2H"	2.014552
"581209"	653.988626	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+2H"	2.014552
"1051700"	218.667726	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2H"	2.014552
"219240"	291.221209333333	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+3H"	3.021828
"658071"	436.328176	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+3H"	3.021828
"1178372"	146.114242666667	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+3H"	3.021828
"436185"	888.675623	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+NH4"	18.033823
"797179"	1323.996523	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+NH4"	18.033823
"1696673"	453.354723	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+NH4"	18.033823
"344835"	444.8414495	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+H+NH4"	19.041099
"737746"	662.5018995	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+H+NH4"	19.041099
"1492705"	227.1809995	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H+NH4"	19.041099
"406722"	893.631018	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+Na"	22.989218
"769301"	1328.951918	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+Na"	22.989218
"1618169"	458.310118	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Na"	22.989218
"329871"	447.319147	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+H+Na"	23.996494
"722539"	664.979597	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+H+Na"	23.996494
"1476841"	229.658697	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H+Na"	23.996494
"1067282"	153.441556666667	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2H+Na"	25.00377
"1272490"	468.354386	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+CH3OH+H"	33.033486
"391420"	909.604958	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+K"	38.963158
"750956"	1344.925858	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+K"	38.963158
"1552646"	474.284058	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+K"	38.963158
"313713"	455.306117	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+H+K"	39.970434
"704430"	672.966567	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+H+K"	39.970434
"1458615"	237.645667	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H+K"	39.970434
"247216"	912.675626	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+ACN+H"	42.033826
"1223584"	477.354726	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+ACN+H"	42.033826
"1208924"	239.181001	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+ACN+2H"	43.041102
"202159"	915.61296	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+2Na-H"	44.97116
"641726"	1350.93386	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+2Na-H"	44.97116
"1145225"	480.29206	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2Na-H"	44.97116
"188030"	458.310118	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+2Na"	45.978436
"628074"	675.970568	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+2Na"	45.978436
"1130731"	240.649668	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2Na"	45.978436
"1413525"	160.768870666667	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H+2Na"	46.985712
"1439566"	482.333646	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H+HCOOH"	47.012746
"234976"	463.34314	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+3H2O+2H"	56.04448
"1519508"	496.38569	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+IsoProp+H"	61.06479
"421389"	466.297088	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+Na+K"	61.952376
"780932"	683.957538	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+Na+K"	61.952376
"1674346"	248.636638	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Na+K"	61.952376
"261958"	934.657568	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+ACN+Na"	64.015768
"1239771"	499.336668	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+ACN+Na"	64.015768
"1724283"	499.360193	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+NH4+HCOOH"	64.039293
"1190001"	168.096184666667	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+3Na"	68.967654
"1659896"	504.315588	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Na+HCOOH"	68.994688
"172755"	947.56084	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+2K-H"	76.91904
"611666"	1382.88174	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+2K-H"	76.91904
"1099581"	512.23994	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2K-H"	76.91904
"150926"	474.284058	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"2M+2K"	77.926316
"592673"	691.944508	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"3M+2K"	77.926316
"1083342"	256.623608	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2K"	77.926316
"1114895"	514.254492	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2K+H"	78.933592
"1345688"	514.342107	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+DMSO+H"	79.021207
"1017500"	518.381276	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2ACN+H"	83.060376
"1532344"	519.374908	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+IsoProp+Na+H"	84.054008
"996603"	259.694276	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+2ACN+2H"	84.067652
"1590019"	520.289528	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+K+HCOOH"	84.968628
"1415679"	550.321038	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+H+CF3COOH"	115.000138
"1147661"	280.207551	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+3ACN+2H"	125.094202
"1698800"	567.347585	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+NH4+CF3COOH"	132.026685
"1645386"	572.30298	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+Na+CF3COOH"	136.98208
"1578849"	588.27692	"C13806"	"Philanthotoxin 343"	"C23H41N5O3"	"435.3209"	"M+K+CF3COOH"	152.95602
"815781"	352.225	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M"	0
"986033"	333.20661	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"75370"	233.809390666667	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"514929"	351.217724	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"892729"	116.401057333333	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"11308"	351.217724	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"454148"	527.330224	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"829401"	175.105224	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"88662"	703.442724	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"528953"	1055.667724	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"906021"	351.217724	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"56023"	720.469271	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"493397"	1072.694271	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"870105"	368.244271	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"40205"	725.424666	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"477577"	1077.649666	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"855379"	373.199666	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1626007"	373.199666	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"99255"	369.206063	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"542095"	545.318563	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"934517"	193.093563	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"275989"	739.419402	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"663307"	1091.644402	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1279356"	387.194402	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"24828"	741.398606	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"458192"	1093.623606	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"835265"	389.173606	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1556931"	389.173606	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"950289"	397.223194	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"373971"	749.448201	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"352388"	763.463851	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1496846"	411.238851	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"965480"	419.205151	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"113657"	387.194402	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"559050"	563.306902	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1026391"	211.081902	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1245967"	431.143885	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1305741"	433.199872	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1329930"	455.181829	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"925000"	465.210586	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1302074"	501.187264	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1380233"	317.212324	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1396635"	335.2223	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"293041"	705.457276	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"688744"	1057.682276	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1366943"	353.232276	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H"	1.007276
"139078"	353.232276	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"579005"	529.344776	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1050716"	177.119776	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"217890"	235.823942666667	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"654899"	353.232276	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1177036"	118.415609333333	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"435202"	722.483823	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"797290"	1074.708823	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1695934"	370.258823	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"344458"	361.7455495	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"735424"	537.8580495	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1491800"	185.6330495	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"403552"	727.439218	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"768800"	1079.664218	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1617505"	375.214218	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"328149"	364.223247	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"721667"	540.335747	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1475243"	188.110747	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1065446"	125.742923333333	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1271259"	385.258486	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"388978"	743.413158	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"751794"	1095.638158	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1553120"	391.188158	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K"	38.963158
"313214"	372.210217	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"703447"	548.322717	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1457632"	196.097717	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"247326"	746.483826	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1222239"	394.258826	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1207213"	197.633051	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"201542"	749.42116	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"642443"	1101.64616	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1142420"	397.19616	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"187533"	375.214218	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"626729"	551.326718	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1128778"	199.101718	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1412180"	133.070237333333	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1438220"	399.237746	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"234114"	380.24724	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1518527"	413.28979	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"420406"	383.201188	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"782865"	559.313688	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1673364"	207.088688	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"263162"	768.465768	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1241220"	416.240768	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1721478"	416.264293	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1190113"	140.397551333333	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1663286"	421.219688	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"171241"	781.36904	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"611532"	1133.59404	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1098231"	429.14404	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"152131"	391.188158	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"593877"	567.300658	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1079483"	215.075658	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1107227"	431.158592	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1345798"	431.246207	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1014329"	435.285376	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1529173"	436.279008	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"995619"	218.146326	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1596686"	437.193628	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1416883"	467.225138	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1148264"	238.659601	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1698910"	484.251685	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1645496"	489.20708	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1576772"	505.18102	"C13807"	"Levuglandin E2;LGE2;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;1011-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"812612"	352.225	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M"	0
"983958"	333.20661	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"73294"	233.809390666667	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"512854"	351.217724	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"890658"	116.401057333333	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"5952"	351.217724	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"454258"	527.330224	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"830240"	175.105224	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"87677"	703.442724	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"528333"	1055.667724	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"907594"	351.217724	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"53950"	720.469271	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"491324"	1072.694271	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"865115"	368.244271	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"36307"	725.424666	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"482064"	1077.649666	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"862906"	373.199666	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1632318"	373.199666	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"103743"	369.206063	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"541115"	545.318563	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"934629"	193.093563	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"273551"	739.419402	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"668159"	1091.644402	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1283479"	387.194402	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"27495"	741.398606	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"461584"	1093.623606	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"840479"	389.173606	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1560333"	389.173606	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"955749"	397.223194	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"368616"	749.448201	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"352503"	763.463851	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1503521"	411.238851	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"963406"	419.205151	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"113041"	387.194402	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"551504"	563.306902	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1024678"	211.081902	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1244255"	431.143885	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1319479"	433.199872	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1334789"	455.181829	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"925845"	465.210586	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1301827"	501.187264	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1381081"	317.212324	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1396752"	335.2223	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"296807"	705.457276	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"689595"	1057.682276	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1365942"	353.232276	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H"	1.007276
"140898"	353.232276	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"581063"	529.344776	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1050830"	177.119776	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"219708"	235.823942666667	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"657929"	353.232276	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1177882"	118.415609333333	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"439326"	722.483823	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"799232"	1074.708823	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1695199"	370.258823	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"344570"	361.7455495	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"730068"	537.8580495	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1487169"	185.6330495	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"403661"	727.439218	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"763564"	1079.664218	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1614943"	375.214218	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"326802"	364.223247	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"721288"	540.335747	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1473408"	188.110747	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1066900"	125.742923333333	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1272343"	385.258486	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"391284"	743.413158	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"753572"	1095.638158	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1553234"	391.188158	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K"	38.963158
"310412"	372.210217	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"702832"	548.322717	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1456655"	196.097717	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"250002"	746.483826	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1224169"	394.258826	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1206958"	197.633051	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"203474"	749.42116	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"642671"	1101.64616	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1138886"	397.19616	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"179990"	375.214218	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"620643"	551.326718	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1124148"	199.101718	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1405483"	133.070237333333	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1434687"	399.237746	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"229485"	380.24724	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1514268"	413.28979	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"424237"	383.201188	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"781517"	559.313688	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1671288"	207.088688	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"261088"	768.465768	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1232702"	416.240768	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1720495"	416.264293	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1190224"	140.397551333333	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1661215"	421.219688	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"170262"	781.36904	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"609460"	1133.59404	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1096888"	429.14404	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"155401"	391.188158	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"593262"	567.300658	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1075956"	215.075658	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1109527"	431.158592	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1339353"	431.246207	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1013348"	435.285376	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1531475"	436.279008	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"991728"	218.146326	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1593521"	437.193628	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1420272"	467.225138	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1148373"	238.659601	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1708862"	484.251685	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1640138"	489.20708	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1573602"	505.18102	"C13808"	"Levuglandin D2;LGD2;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoic acid;910-Seco-911-dioxo-15S-hydroxy-5Z13E-prostadienoate"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"814905"	354.2406	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M"	0
"989533"	335.22221	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"73402"	235.153124	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"515149"	353.233324	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"890768"	117.072924	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"12622"	353.233324	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"451088"	530.353624	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"829983"	176.113024	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"85600"	707.473924	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"526256"	1061.714524	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"908066"	353.233324	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"55152"	724.500471	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"493621"	1078.741071	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"868142"	370.259871	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"41521"	729.455866	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"484361"	1083.696466	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"858883"	375.215266	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1631338"	375.215266	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"108838"	371.221663	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"543412"	548.341963	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"934739"	194.101363	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"278764"	743.450602	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"668998"	1097.691202	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1284682"	389.210002	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"27605"	745.429806	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"461695"	1099.670406	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"839134"	391.189206	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1564816"	391.189206	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"954887"	399.238794	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"373102"	753.479401	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"353707"	767.495051	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1503631"	413.254451	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"962423"	421.220751	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"112787"	389.210002	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"552346"	566.330302	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1025883"	212.089702	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1245461"	433.159485	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1317769"	435.215472	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1330163"	457.197429	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"924503"	467.226186	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1301939"	503.202864	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1381071"	319.227924	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1396745"	337.2379	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"296191"	709.488476	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"689703"	1063.729076	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1365325"	355.247876	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"140036"	355.247876	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"580686"	532.368176	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1050940"	178.127576	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"218480"	237.167676	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"658042"	355.247876	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1177138"	119.087476	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"439641"	726.515023	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"799703"	1080.755623	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1694581"	372.274423	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"343952"	363.7611495	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"730178"	540.8814495	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1482906"	186.6408495	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"403773"	731.470418	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"763676"	1085.711018	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1616147"	377.229818	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"329828"	366.238847	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"722452"	543.359147	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1476312"	189.118547	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1067490"	126.41479	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1272374"	387.274086	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"391758"	747.444358	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"753113"	1101.684958	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1554076"	393.203758	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"311616"	374.225817	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"702944"	551.346117	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1456763"	197.105517	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"250840"	750.515026	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1223313"	396.274426	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1207432"	198.640851	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"204262"	753.45236	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"643514"	1107.69296	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1145803"	399.21176	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"181196"	377.229818	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"621848"	554.350118	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1126446"	200.109518	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1405597"	133.742104	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1435526"	401.253346	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"233605"	382.26284	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1518751"	415.30539	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"422814"	385.216788	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"778348"	562.337088	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1675772"	208.096488	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"261198"	772.496968	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1236094"	418.256368	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1722793"	418.279893	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1188878"	141.069418	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1660230"	423.235288	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"168915"	785.40024	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"609572"	1139.64084	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1097850"	431.15964	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"153444"	393.203758	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"594101"	570.324058	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1078614"	216.083458	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1111459"	433.174192	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1343836"	433.261807	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1013458"	437.300976	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1531585"	438.294608	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"1000222"	219.154126	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1598004"	439.209228	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1418196"	469.240738	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1147754"	239.667401	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1708972"	486.267285	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1640248"	491.22268	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1573712"	507.19662	"C13809"	"91115-Trihydroxy-prosta-513-dien-1-oic acid;8-Isoprostaglandin F2alpha;8-Isoprostane;8-epi-Prostaglandin F2alpha"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"816845"	446.2305	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M"	0
"988549"	427.21211	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-H2O-H"	-19.01839
"77521"	296.479724	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M-3H"	-3.021828
"517937"	445.223224	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M-3H"	-3.021828
"894153"	147.736224	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-3H"	-3.021828
"15287"	445.223224	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M-2H"	-2.014552
"454847"	668.338474	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M-2H"	-2.014552
"831187"	222.107974	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-2H"	-2.014552
"86805"	891.453724	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M-H"	-1.007276
"527458"	1337.684224	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M-H"	-1.007276
"908906"	445.223224	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-H"	-1.007276
"55261"	908.480271	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M-2H+NH4"	16.019271
"494825"	1354.710771	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M-2H+NH4"	16.019271
"875907"	462.249771	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-2H+NH4"	16.019271
"46372"	913.435666	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M-2H+Na"	20.974666
"484471"	1359.666166	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M-2H+Na"	20.974666
"862273"	467.205166	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-2H+Na"	20.974666
"1630715"	467.205166	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Na-2H"	20.974666
"106150"	463.211563	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M-H+Cl"	33.962126
"548868"	686.326813	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M-H+Cl"	33.962126
"940315"	240.096313	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-H+Cl"	33.962126
"278874"	927.430402	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+Cl"	34.969402
"672389"	1373.660902	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+Cl"	34.969402
"1284790"	481.199902	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Cl"	34.969402
"27350"	929.409606	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M-2H+K"	36.948606
"460349"	1375.640106	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M-2H+K"	36.948606
"842525"	483.179106	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-2H+K"	36.948606
"1568937"	483.179106	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+K-2H"	36.948606
"957184"	491.228694	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-H+HCOOH"	44.998194
"375763"	937.459201	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+HCOOH-H"	44.998201
"356004"	951.474851	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+Hac-H"	59.013851
"1507021"	505.244351	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Hac-H"	59.013851
"961438"	513.210651	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-H+NaCOOH"	66.980151
"113626"	481.199902	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+2Cl"	69.938804
"553187"	704.315152	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+2Cl"	69.938804
"1025264"	258.084652	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2Cl"	69.938804
"1243749"	525.149385	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Br"	78.918885
"1319866"	527.205372	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Cl+HCOOH"	80.974872
"1334281"	549.187329	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Cl+NaCOOH"	102.956829
"926596"	559.216086	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M-H+CF3COOH"	112.985586
"1300227"	595.192764	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Cl+CF3COOH"	148.962264
"1380940"	411.217824	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H-2H2O"	-35.012676
"1397343"	429.2278	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H-H2O"	-17.0027
"297392"	893.468276	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+H"	1.007276
"690181"	1339.698776	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+H"	1.007276
"1366165"	447.237776	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H"	1.007276
"141392"	447.237776	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+2H"	2.014552
"580676"	670.353026	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+2H"	2.014552
"1052024"	224.122526	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2H"	2.014552
"219196"	298.494276	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+3H"	3.021828
"657419"	447.237776	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+3H"	3.021828
"1177735"	149.750776	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+3H"	3.021828
"438088"	910.494823	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+NH4"	18.033823
"800420"	1356.725323	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+NH4"	18.033823
"1696394"	464.264323	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+NH4"	18.033823
"344794"	455.7510495	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+H+NH4"	19.041099
"734298"	678.8662995	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+H+NH4"	19.041099
"1485203"	232.6357995	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H+NH4"	19.041099
"403886"	915.450218	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+Na"	22.989218
"767795"	1361.680718	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+Na"	22.989218
"1616623"	469.219718	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Na"	22.989218
"329334"	458.228747	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+H+Na"	23.996494
"722675"	681.343997	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+H+Na"	23.996494
"1476422"	235.113497	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H+Na"	23.996494
"1067236"	157.07809	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2H+Na"	25.00377
"1272080"	479.263986	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+CH3OH+H"	33.033486
"392735"	931.424158	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+K"	38.963158
"751400"	1377.654658	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+K"	38.963158
"1552359"	485.193658	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+K"	38.963158
"313185"	466.215717	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+H+K"	39.970434
"706336"	689.330967	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+H+K"	39.970434
"1455781"	243.100467	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H+K"	39.970434
"251360"	934.494826	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+ACN+H"	42.033826
"1224879"	488.264326	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+ACN+H"	42.033826
"1208273"	244.635801	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+ACN+2H"	43.041102
"203784"	937.43216	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+2Na-H"	44.97116
"643625"	1383.66266	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+2Na-H"	44.97116
"1142389"	491.20166	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2Na-H"	44.97116
"187869"	469.219718	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+2Na"	45.978436
"628400"	692.334968	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+2Na"	45.978436
"1122545"	246.104468	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2Na"	45.978436
"1411902"	164.405404	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H+2Na"	46.985712
"1444384"	493.243246	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H+HCOOH"	47.012746
"228612"	474.25274	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+3H2O+2H"	56.04448
"1521779"	507.29529	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+IsoProp+H"	61.06479
"424032"	477.206688	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+Na+K"	61.952376
"783197"	700.321938	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+Na+K"	61.952376
"1676975"	254.091438	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Na+K"	61.952376
"265928"	956.476768	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+ACN+Na"	64.015768
"1239850"	510.246268	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+ACN+Na"	64.015768
"1724732"	510.269793	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+NH4+HCOOH"	64.039293
"1190447"	171.732718	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+3Na"	68.967654
"1662528"	515.225188	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Na+HCOOH"	68.994688
"169028"	969.38004	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+2K-H"	76.91904
"607494"	1415.61054	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+2K-H"	76.91904
"1097473"	523.14954	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2K-H"	76.91904
"153555"	485.193658	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"2M+2K"	77.926316
"594212"	708.308908	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"3M+2K"	77.926316
"1078726"	262.078408	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2K"	77.926316
"1111205"	525.164092	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2K+H"	78.933592
"1346133"	525.251707	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+DMSO+H"	79.021207
"1016848"	529.290876	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2ACN+H"	83.060376
"1532785"	530.284508	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+IsoProp+Na+H"	84.054008
"995958"	265.149076	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+2ACN+2H"	84.067652
"1594832"	531.199128	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+K+HCOOH"	84.968628
"1419399"	561.230638	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+H+CF3COOH"	115.000138
"1150780"	285.662351	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+3ACN+2H"	125.094202
"1705801"	578.257185	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+NH4+CF3COOH"	132.026685
"1637078"	583.21258	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+Na+CF3COOH"	136.98208
"1572727"	599.18652	"C13810"	"Clavulone I;Claviridenone d"	"C25H34O7"	"446.2305"	"M+K+CF3COOH"	152.95602
"811845"	232.1423	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M"	0
"985378"	213.12391	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-H2O-H"	-19.01839
"71433"	153.754257333333	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M-3H"	-3.021828
"516465"	231.135024	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M-3H"	-3.021828
"890983"	76.3734906666667	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-3H"	-3.021828
"15029"	231.135024	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M-2H"	-2.014552
"454591"	347.206174	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M-2H"	-2.014552
"830933"	115.063874	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-2H"	-2.014552
"83635"	463.277324	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M-H"	-1.007276
"524289"	695.419624	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M-H"	-1.007276
"905736"	231.135024	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-H"	-1.007276
"55371"	480.303871	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M-2H+NH4"	16.019271
"493841"	712.446171	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M-2H+NH4"	16.019271
"870549"	248.161571	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-2H+NH4"	16.019271
"45753"	485.259266	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M-2H+Na"	20.974666
"484460"	717.401566	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M-2H+Na"	20.974666
"862262"	253.116966	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-2H+Na"	20.974666
"1633012"	253.116966	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Na-2H"	20.974666
"108083"	249.123363	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M-H+Cl"	33.962126
"546913"	365.194513	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M-H+Cl"	33.962126
"940792"	133.052213	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-H+Cl"	33.962126
"275703"	499.254002	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+Cl"	34.969402
"671405"	731.396302	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+Cl"	34.969402
"1287087"	267.111702	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Cl"	34.969402
"30621"	501.233206	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M-2H+K"	36.948606
"462645"	733.375506	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M-2H+K"	36.948606
"840449"	269.090906	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-2H+K"	36.948606
"1563941"	269.090906	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+K-2H"	36.948606
"954740"	277.140494	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-H+HCOOH"	44.998194
"375507"	509.282801	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+HCOOH-H"	44.998201
"360485"	523.298451	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+Hac-H"	59.013851
"1501662"	291.156151	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Hac-H"	59.013851
"960456"	299.122451	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-H+NaCOOH"	66.980151
"112642"	267.111702	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+2Cl"	69.938804
"555483"	383.182852	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+2Cl"	69.938804
"1023187"	151.040552	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2Cl"	69.938804
"1242766"	311.061185	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Br"	78.918885
"1319565"	313.117172	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Cl+HCOOH"	80.974872
"1334998"	335.099129	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Cl+NaCOOH"	102.956829
"925813"	345.127886	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M-H+CF3COOH"	112.985586
"1302159"	381.104564	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Cl+CF3COOH"	148.962264
"1380684"	197.129624	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H-2H2O"	-35.012676
"1397082"	215.1396	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H-H2O"	-17.0027
"298106"	465.291876	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+H"	1.007276
"687740"	697.434176	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+H"	1.007276
"1364819"	233.149576	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H"	1.007276
"140256"	233.149576	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+2H"	2.014552
"580666"	349.220726	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+2H"	2.014552
"1052014"	117.078426	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2H"	2.014552
"218335"	155.768809333333	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+3H"	3.021828
"658625"	233.149576	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+3H"	3.021828
"1177723"	78.3880426666667	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+3H"	3.021828
"437713"	482.318423	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+NH4"	18.033823
"799922"	714.460723	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+NH4"	18.033823
"1695045"	250.176123	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+NH4"	18.033823
"343447"	241.6628495	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+H+NH4"	19.041099
"729306"	357.7339995	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+H+NH4"	19.041099
"1482032"	125.5916995	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H+NH4"	19.041099
"399619"	487.273818	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+Na"	22.989218
"762803"	719.416118	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+Na"	22.989218
"1616371"	255.131518	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Na"	22.989218
"328836"	244.140547	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+H+Na"	23.996494
"722470"	360.211697	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+H+Na"	23.996494
"1475802"	128.069397	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H+Na"	23.996494
"1062605"	85.7153566666667	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2H+Na"	25.00377
"1271334"	265.175786	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+CH3OH+H"	33.033486
"386140"	503.247758	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+K"	38.963158
"747131"	735.390058	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+K"	38.963158
"1545908"	271.105458	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+K"	38.963158
"311836"	252.127517	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+H+K"	39.970434
"704624"	368.198667	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+H+K"	39.970434
"1453705"	136.056367	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H+K"	39.970434
"251351"	506.318426	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+ACN+H"	42.033826
"1225111"	274.176126	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+ACN+H"	42.033826
"1209686"	137.591701	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+ACN+2H"	43.041102
"204098"	509.25576	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+2Na-H"	44.97116
"644137"	741.39806	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+2Na-H"	44.97116
"1142498"	277.11346	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2Na-H"	44.97116
"187859"	255.131518	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+2Na"	45.978436
"627781"	371.202668	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+2Na"	45.978436
"1124479"	139.060368	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2Na"	45.978436
"1412012"	93.0426706666667	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H+2Na"	46.985712
"1444008"	279.155046	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H+HCOOH"	47.012746
"232002"	260.16454	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+3H2O+2H"	56.04448
"1520067"	293.20709	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+IsoProp+H"	61.06479
"423049"	263.118488	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+Na+K"	61.952376
"784036"	379.189638	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+Na+K"	61.952376
"1679272"	147.047338	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Na+K"	61.952376
"266282"	528.300368	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+ACN+Na"	64.015768
"1239595"	296.158068	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+ACN+Na"	64.015768
"1726294"	296.181593	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+NH4+HCOOH"	64.039293
"1190559"	100.369984666667	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+3Na"	68.967654
"1663003"	301.136988	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Na+HCOOH"	68.994688
"168773"	541.20364	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+2K-H"	76.91904
"606875"	773.34594	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+2K-H"	76.91904
"1096489"	309.06134	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2K-H"	76.91904
"153668"	271.105458	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"2M+2K"	77.926316
"592134"	387.176608	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"3M+2K"	77.926316
"1076650"	155.034308	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2K"	77.926316
"1114233"	311.075892	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2K+H"	78.933592
"1345150"	311.163507	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+DMSO+H"	79.021207
"1018051"	315.202676	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2ACN+H"	83.060376
"1532895"	316.196308	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+IsoProp+Na+H"	84.054008
"996068"	158.104976	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+2ACN+2H"	84.067652
"1596035"	317.110928	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+K+HCOOH"	84.968628
"1419509"	347.142438	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+H+CF3COOH"	115.000138
"1150890"	178.618251	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+3ACN+2H"	125.094202
"1705911"	364.168985	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+NH4+CF3COOH"	132.026685
"1635001"	369.12438	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+Na+CF3COOH"	136.98208
"1571744"	385.09832	"C13811"	"Piperazine adipate"	"C6H10O4C4H10N2"	"232.1423"	"M+K+CF3COOH"	152.95602
"811955"	446.2305	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M"	0
"985489"	427.21211	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-H2O-H"	-19.01839
"71543"	296.479724	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M-3H"	-3.021828
"517914"	445.223224	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M-3H"	-3.021828
"894378"	147.736224	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-3H"	-3.021828
"14291"	445.223224	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M-2H"	-2.014552
"452878"	668.338474	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M-2H"	-2.014552
"829953"	222.107974	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-2H"	-2.014552
"84839"	891.453724	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M-H"	-1.007276
"526586"	1337.684224	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M-H"	-1.007276
"909127"	445.223224	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-H"	-1.007276
"56210"	908.480271	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M-2H+NH4"	16.019271
"497231"	1354.710771	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M-2H+NH4"	16.019271
"874668"	462.249771	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-2H+NH4"	16.019271
"44406"	913.435666	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M-2H+Na"	20.974666
"482504"	1359.666166	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M-2H+Na"	20.974666
"862129"	467.205166	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-2H+Na"	20.974666
"1624375"	467.205166	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Na-2H"	20.974666
"101996"	463.211563	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M-H+Cl"	33.962126
"539733"	686.326813	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M-H+Cl"	33.962126
"935069"	240.096313	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-H+Cl"	33.962126
"281647"	927.430402	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+Cl"	34.969402
"675041"	1373.660902	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+Cl"	34.969402
"1286104"	481.199902	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Cl"	34.969402
"26474"	929.409606	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M-2H+K"	36.948606
"459473"	1375.640106	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M-2H+K"	36.948606
"841648"	483.179106	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-2H+K"	36.948606
"1561864"	483.179106	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+K-2H"	36.948606
"954850"	491.228694	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-H+HCOOH"	44.998194
"375253"	937.459201	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+HCOOH-H"	44.998201
"360231"	951.474851	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+Hac-H"	59.013851
"1501772"	505.244351	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Hac-H"	59.013851
"961659"	513.210651	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-H+NaCOOH"	66.980151
"110687"	481.199902	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+2Cl"	69.938804
"554500"	704.315152	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+2Cl"	69.938804
"1023294"	258.084652	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2Cl"	69.938804
"1242511"	525.149385	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Br"	78.918885
"1312985"	527.205372	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Cl+HCOOH"	80.974872
"1334496"	549.187329	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Cl+NaCOOH"	102.956829
"925924"	559.216086	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M-H+CF3COOH"	112.985586
"1303239"	595.192764	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Cl+CF3COOH"	148.962264
"1381767"	411.217824	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H-2H2O"	-35.012676
"1397557"	429.2278	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H-H2O"	-17.0027
"297486"	893.468276	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+H"	1.007276
"689308"	1339.698776	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+H"	1.007276
"1366020"	447.237776	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H"	1.007276
"139639"	447.237776	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+2H"	2.014552
"579566"	670.353026	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+2H"	2.014552
"1052330"	224.122526	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2H"	2.014552
"218809"	298.494276	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+3H"	3.021828
"658739"	447.237776	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+3H"	3.021828
"1176495"	149.750776	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+3H"	3.021828
"438188"	910.494823	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+NH4"	18.033823
"798576"	1356.725323	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+NH4"	18.033823
"1695522"	464.264323	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+NH4"	18.033823
"344286"	455.7510495	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+H+NH4"	19.041099
"733792"	678.8662995	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+H+NH4"	19.041099
"1484330"	232.6357995	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H+NH4"	19.041099
"403012"	915.450218	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+Na"	22.989218
"765098"	1361.680718	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+Na"	22.989218
"1614658"	469.219718	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Na"	22.989218
"327974"	458.228747	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+H+Na"	23.996494
"721127"	681.343997	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+H+Na"	23.996494
"1475796"	235.113497	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H+Na"	23.996494
"1066606"	157.07809	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2H+Na"	25.00377
"1271810"	479.263986	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+CH3OH+H"	33.033486
"391595"	931.424158	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+K"	38.963158
"747245"	1377.654658	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+K"	38.963158
"1553674"	485.193658	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+K"	38.963158
"313286"	466.215717	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+H+K"	39.970434
"706317"	689.330967	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+H+K"	39.970434
"1454908"	243.100467	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H+K"	39.970434
"251345"	934.494826	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+ACN+H"	42.033826
"1225345"	488.264326	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+ACN+H"	42.033826
"1209512"	244.635801	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+ACN+2H"	43.041102
"203965"	937.43216	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+2Na-H"	44.97116
"643728"	1383.66266	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+2Na-H"	44.97116
"1145162"	491.20166	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2Na-H"	44.97116
"187849"	469.219718	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+2Na"	45.978436
"628139"	692.334968	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+2Na"	45.978436
"1130918"	246.104468	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2Na"	45.978436
"1413592"	164.405404	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H+2Na"	46.985712
"1444614"	493.243246	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H+HCOOH"	47.012746
"232966"	474.25274	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+3H2O+2H"	56.04448
"1522244"	507.29529	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+IsoProp+H"	61.06479
"423040"	477.206688	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+Na+K"	61.952376
"784639"	700.321938	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+Na+K"	61.952376
"1679992"	254.091438	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Na+K"	61.952376
"266271"	956.476768	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+ACN+Na"	64.015768
"1239709"	510.246268	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+ACN+Na"	64.015768
"1724950"	510.269793	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+NH4+HCOOH"	64.039293
"1192129"	171.732718	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+3Na"	68.967654
"1663842"	515.225188	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Na+HCOOH"	68.994688
"168518"	969.38004	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+2K-H"	76.91904
"608443"	1415.61054	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+2K-H"	76.91904
"1096602"	523.14954	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2K-H"	76.91904
"154144"	485.193658	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"2M+2K"	77.926316
"593339"	708.308908	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"3M+2K"	77.926316
"1080405"	262.078408	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2K"	77.926316
"1114707"	525.164092	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2K+H"	78.933592
"1346717"	525.251707	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+DMSO+H"	79.021207
"1016705"	529.290876	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2ACN+H"	83.060376
"1537745"	530.284508	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+IsoProp+Na+H"	84.054008
"996178"	265.149076	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+2ACN+2H"	84.067652
"1597238"	531.199128	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+K+HCOOH"	84.968628
"1421805"	561.230638	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+H+CF3COOH"	115.000138
"1153187"	285.662351	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+3ACN+2H"	125.094202
"1704928"	578.257185	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+NH4+CF3COOH"	132.026685
"1638391"	583.21258	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+Na+CF3COOH"	136.98208
"1576229"	599.18652	"C13812"	"Clavulone II"	"C25H34O7"	"446.2305"	"M+K+CF3COOH"	152.95602
"812065"	446.2305	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M"	0
"986692"	427.21211	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-H2O-H"	-19.01839
"71653"	296.479724	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M-3H"	-3.021828
"518457"	445.223224	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M-3H"	-3.021828
"893392"	147.736224	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-3H"	-3.021828
"15248"	445.223224	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M-2H"	-2.014552
"453716"	668.338474	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M-2H"	-2.014552
"831883"	222.107974	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-2H"	-2.014552
"87136"	891.453724	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M-H"	-1.007276
"526696"	1337.684224	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M-H"	-1.007276
"906320"	445.223224	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-H"	-1.007276
"52310"	908.480271	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M-2H+NH4"	16.019271
"496248"	1354.710771	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M-2H+NH4"	16.019271
"874050"	462.249771	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-2H+NH4"	16.019271
"45973"	913.435666	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M-2H+Na"	20.974666
"482614"	1359.666166	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M-2H+Na"	20.974666
"860416"	467.205166	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-2H+Na"	20.974666
"1624485"	467.205166	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Na-2H"	20.974666
"102106"	463.211563	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M-H+Cl"	33.962126
"540207"	686.326813	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M-H+Cl"	33.962126
"937366"	240.096313	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-H+Cl"	33.962126
"279203"	927.430402	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+Cl"	34.969402
"669439"	1373.660902	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+Cl"	34.969402
"1285122"	481.199902	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Cl"	34.969402
"27680"	929.409606	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M-2H+K"	36.948606
"460676"	1375.640106	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M-2H+K"	36.948606
"839573"	483.179106	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-2H+K"	36.948606
"1560881"	483.179106	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+K-2H"	36.948606
"956055"	491.228694	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-H+HCOOH"	44.998194
"375365"	937.459201	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+HCOOH-H"	44.998201
"357425"	951.474851	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+Hac-H"	59.013851
"1501882"	505.244351	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Hac-H"	59.013851
"963956"	513.210651	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-H+NaCOOH"	66.980151
"110430"	481.199902	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+2Cl"	69.938804
"553517"	704.315152	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+2Cl"	69.938804
"1023772"	258.084652	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2Cl"	69.938804
"1242621"	525.149385	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Br"	78.918885
"1313095"	527.205372	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Cl+HCOOH"	80.974872
"1334845"	549.187329	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Cl+NaCOOH"	102.956829
"926025"	559.216086	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M-H+CF3COOH"	112.985586
"1303714"	595.192764	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Cl+CF3COOH"	148.962264
"1382363"	411.217824	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H-2H2O"	-35.012676
"1398276"	429.2278	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H-H2O"	-17.0027
"298328"	893.468276	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+H"	1.007276
"689780"	1339.698776	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+H"	1.007276
"1366817"	447.237776	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H"	1.007276
"140477"	447.237776	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+2H"	2.014552
"580645"	670.353026	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+2H"	2.014552
"1051512"	224.122526	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2H"	2.014552
"219651"	298.494276	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+3H"	3.021828
"659460"	447.237776	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+3H"	3.021828
"1174780"	149.750776	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+3H"	3.021828
"438904"	910.494823	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+NH4"	18.033823
"794674"	1356.725323	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+NH4"	18.033823
"1695380"	464.264323	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+NH4"	18.033823
"345247"	455.7510495	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+H+NH4"	19.041099
"733902"	678.8662995	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+H+NH4"	19.041099
"1484442"	232.6357995	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H+NH4"	19.041099
"402759"	915.450218	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+Na"	22.989218
"766304"	1361.680718	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+Na"	22.989218
"1615496"	469.219718	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Na"	22.989218
"328693"	458.228747	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+H+Na"	23.996494
"722690"	681.343997	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+H+Na"	23.996494
"1476388"	235.113497	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H+Na"	23.996494
"1067809"	157.07809	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2H+Na"	25.00377
"1268877"	479.263986	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+CH3OH+H"	33.033486
"391098"	931.424158	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+K"	38.963158
"749540"	1377.654658	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+K"	38.963158
"1554877"	485.193658	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+K"	38.963158
"312056"	466.215717	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+H+K"	39.970434
"705209"	689.330967	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+H+K"	39.970434
"1452832"	243.100467	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H+K"	39.970434
"250316"	934.494826	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+ACN+H"	42.033826
"1224844"	488.264326	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+ACN+H"	42.033826
"1208615"	244.635801	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+ACN+2H"	43.041102
"203428"	937.43216	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+2Na-H"	44.97116
"643720"	1383.66266	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+2Na-H"	44.97116
"1146008"	491.20166	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2Na-H"	44.97116
"187597"	469.219718	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+2Na"	45.978436
"627400"	692.334968	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+2Na"	45.978436
"1129934"	246.104468	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2Na"	45.978436
"1413093"	164.405404	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H+2Na"	46.985712
"1445211"	493.243246	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H+HCOOH"	47.012746
"234416"	474.25274	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+3H2O+2H"	56.04448
"1522111"	507.29529	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+IsoProp+H"	61.06479
"423271"	477.206688	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+Na+K"	61.952376
"784380"	700.321938	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+Na+K"	61.952376
"1680346"	254.091438	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Na+K"	61.952376
"266257"	956.476768	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+ACN+Na"	64.015768
"1239335"	510.246268	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+ACN+Na"	64.015768
"1725424"	510.269793	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+NH4+HCOOH"	64.039293
"1192238"	171.732718	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+3Na"	68.967654
"1663588"	515.225188	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Na+HCOOH"	68.994688
"166441"	969.38004	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+2K-H"	76.91904
"608187"	1415.61054	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+2K-H"	76.91904
"1096710"	523.14954	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2K-H"	76.91904
"154255"	485.193658	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"2M+2K"	77.926316
"594542"	708.308908	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"3M+2K"	77.926316
"1078692"	262.078408	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2K"	77.926316
"1113359"	525.164092	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2K+H"	78.933592
"1347192"	525.251707	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+DMSO+H"	79.021207
"1017543"	529.290876	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2ACN+H"	83.060376
"1537125"	530.284508	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+IsoProp+Na+H"	84.054008
"997379"	265.149076	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+2ACN+2H"	84.067652
"1595161"	531.199128	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+K+HCOOH"	84.968628
"1420822"	561.230638	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+H+CF3COOH"	115.000138
"1154390"	285.662351	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+3ACN+2H"	125.094202
"1705038"	578.257185	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+NH4+CF3COOH"	132.026685
"1637408"	583.21258	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+Na+CF3COOH"	136.98208
"1576339"	599.18652	"C13813"	"Clavulone III"	"C25H34O7"	"446.2305"	"M+K+CF3COOH"	152.95602
"812175"	446.2305	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M"	0
"987895"	427.21211	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-H2O-H"	-19.01839
"71763"	296.479724	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M-3H"	-3.021828
"516067"	445.223224	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M-3H"	-3.021828
"893501"	147.736224	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-3H"	-3.021828
"13172"	445.223224	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M-2H"	-2.014552
"452734"	668.338474	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M-2H"	-2.014552
"827983"	222.107974	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-2H"	-2.014552
"87246"	891.453724	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M-H"	-1.007276
"531181"	1337.684224	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M-H"	-1.007276
"906794"	445.223224	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-H"	-1.007276
"52420"	908.480271	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M-2H+NH4"	16.019271
"496358"	1354.710771	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M-2H+NH4"	16.019271
"873065"	462.249771	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-2H+NH4"	16.019271
"44254"	913.435666	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M-2H+Na"	20.974666
"484910"	1359.666166	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M-2H+Na"	20.974666
"857246"	467.205166	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-2H+Na"	20.974666
"1626781"	467.205166	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Na-2H"	20.974666
"102216"	463.211563	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M-H+Cl"	33.962126
"541046"	686.326813	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M-H+Cl"	33.962126
"937476"	240.096313	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-H+Cl"	33.962126
"280407"	927.430402	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+Cl"	34.969402
"670642"	1373.660902	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+Cl"	34.969402
"1285232"	481.199902	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Cl"	34.969402
"28883"	929.409606	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M-2H+K"	36.948606
"459693"	1375.640106	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M-2H+K"	36.948606
"840776"	483.179106	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-2H+K"	36.948606
"1560991"	483.179106	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+K-2H"	36.948606
"955437"	491.228694	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-H+HCOOH"	44.998194
"373288"	937.459201	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+HCOOH-H"	44.998201
"356807"	951.474851	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+Hac-H"	59.013851
"1501992"	505.244351	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Hac-H"	59.013851
"959813"	513.210651	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-H+NaCOOH"	66.980151
"110334"	481.199902	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+2Cl"	69.938804
"552533"	704.315152	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+2Cl"	69.938804
"1021935"	258.084652	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2Cl"	69.938804
"1242245"	525.149385	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Br"	78.918885
"1309925"	527.205372	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Cl+HCOOH"	80.974872
"1332889"	549.187329	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Cl+NaCOOH"	102.956829
"925043"	559.216086	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M-H+CF3COOH"	112.985586
"1299562"	595.192764	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Cl+CF3COOH"	148.962264
"1380644"	411.217824	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H-2H2O"	-35.012676
"1398413"	429.2278	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H-H2O"	-17.0027
"298396"	893.468276	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+H"	1.007276
"689887"	1339.698776	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+H"	1.007276
"1365872"	447.237776	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H"	1.007276
"139856"	447.237776	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+2H"	2.014552
"579777"	670.353026	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+2H"	2.014552
"1050397"	224.122526	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2H"	2.014552
"217933"	298.494276	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+3H"	3.021828
"659847"	447.237776	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+3H"	3.021828
"1174890"	149.750776	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+3H"	3.021828
"433787"	910.494823	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+NH4"	18.033823
"795876"	1356.725323	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+NH4"	18.033823
"1694032"	464.264323	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+NH4"	18.033823
"344499"	455.7510495	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+H+NH4"	19.041099
"736197"	678.8662995	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+H+NH4"	19.041099
"1485645"	232.6357995	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H+NH4"	19.041099
"404326"	915.450218	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+Na"	22.989218
"765321"	1361.680718	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+Na"	22.989218
"1615605"	469.219718	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Na"	22.989218
"329775"	458.228747	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+H+Na"	23.996494
"722067"	681.343997	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+H+Na"	23.996494
"1476964"	235.113497	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H+Na"	23.996494
"1068367"	157.07809	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2H+Na"	25.00377
"1272600"	479.263986	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+CH3OH+H"	33.033486
"389749"	931.424158	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+K"	38.963158
"749650"	1377.654658	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+K"	38.963158
"1554987"	485.193658	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+K"	38.963158
"313259"	466.215717	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+H+K"	39.970434
"705318"	689.330967	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+H+K"	39.970434
"1454035"	243.100467	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H+K"	39.970434
"251233"	934.494826	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+ACN+H"	42.033826
"1225199"	488.264326	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+ACN+H"	42.033826
"1209527"	244.635801	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+ACN+2H"	43.041102
"204172"	937.43216	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+2Na-H"	44.97116
"643703"	1383.66266	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+2Na-H"	44.97116
"1146480"	491.20166	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2Na-H"	44.97116
"187217"	469.219718	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+2Na"	45.978436
"626896"	692.334968	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+2Na"	45.978436
"1130529"	246.104468	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2Na"	45.978436
"1413567"	164.405404	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H+2Na"	46.985712
"1445078"	493.243246	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H+HCOOH"	47.012746
"233917"	474.25274	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+3H2O+2H"	56.04448
"1522343"	507.29529	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+IsoProp+H"	61.06479
"423582"	477.206688	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+Na+K"	61.952376
"783274"	700.321938	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+Na+K"	61.952376
"1680697"	254.091438	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Na+K"	61.952376
"265029"	956.476768	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+ACN+Na"	64.015768
"1238472"	510.246268	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+ACN+Na"	64.015768
"1726263"	510.269793	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+NH4+HCOOH"	64.039293
"1190890"	171.732718	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+3Na"	68.967654
"1661878"	515.225188	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Na+HCOOH"	68.994688
"164365"	969.38004	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+2K-H"	76.91904
"606112"	1415.61054	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+2K-H"	76.91904
"1094997"	523.14954	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2K-H"	76.91904
"154363"	485.193658	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"2M+2K"	77.926316
"593924"	708.308908	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"3M+2K"	77.926316
"1080625"	262.078408	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2K"	77.926316
"1114200"	525.164092	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2K+H"	78.933592
"1347302"	525.251707	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+DMSO+H"	79.021207
"1017653"	529.290876	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2ACN+H"	83.060376
"1536872"	530.284508	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+IsoProp+Na+H"	84.054008
"999676"	265.149076	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+2ACN+2H"	84.067652
"1596365"	531.199128	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+K+HCOOH"	84.968628
"1422025"	561.230638	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+H+CF3COOH"	115.000138
"1152313"	285.662351	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+3ACN+2H"	125.094202
"1705148"	578.257185	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+NH4+CF3COOH"	132.026685
"1637518"	583.21258	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+Na+CF3COOH"	136.98208
"1576449"	599.18652	"C13814"	"Clavulone IV"	"C25H34O7"	"446.2305"	"M+K+CF3COOH"	152.95602
"812285"	298.3474	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M"	0
"983632"	279.32901	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-H2O-H"	-19.01839
"70780"	197.890990666667	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M-3H"	-3.021828
"516905"	297.340124	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M-3H"	-3.021828
"893611"	98.4418573333333	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-3H"	-3.021828
"13282"	297.340124	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M-2H"	-2.014552
"453936"	446.513824	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M-2H"	-2.014552
"829550"	148.166424	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-2H"	-2.014552
"86263"	595.687524	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M-H"	-1.007276
"531291"	894.034924	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M-H"	-1.007276
"906540"	297.340124	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-H"	-1.007276
"52530"	612.714071	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M-2H+NH4"	16.019271
"497197"	911.061471	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M-2H+NH4"	16.019271
"874268"	314.366671	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-2H+NH4"	16.019271
"35616"	617.669466	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M-2H+Na"	20.974666
"485019"	916.016866	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M-2H+Na"	20.974666
"857355"	319.322066	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-2H+Na"	20.974666
"1623975"	319.322066	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Na-2H"	20.974666
"98680"	315.328463	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M-H+Cl"	33.962126
"540792"	464.502163	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M-H+Cl"	33.962126
"938680"	166.154763	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-H+Cl"	33.962126
"278329"	631.664202	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+Cl"	34.969402
"669658"	930.011602	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+Cl"	34.969402
"1284247"	333.316802	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Cl"	34.969402
"27898"	633.643406	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M-2H+K"	36.948606
"458707"	931.990806	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M-2H+K"	36.948606
"838699"	335.296006	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-2H+K"	36.948606
"1562194"	335.296006	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+K-2H"	36.948606
"952996"	343.345594	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-H+HCOOH"	44.998194
"373033"	641.693001	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+HCOOH-H"	44.998201
"356917"	655.708651	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+Hac-H"	59.013851
"1502102"	357.361251	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Hac-H"	59.013851
"960044"	365.327551	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-H+NaCOOH"	66.980151
"110644"	333.316802	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+2Cl"	69.938804
"551671"	482.490502	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+2Cl"	69.938804
"1022408"	184.143102	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2Cl"	69.938804
"1242474"	377.266285	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Br"	78.918885
"1311126"	379.322272	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Cl+HCOOH"	80.974872
"1333364"	401.304229	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Cl+NaCOOH"	102.956829
"924787"	411.332986	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M-H+CF3COOH"	112.985586
"1295298"	447.309664	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Cl+CF3COOH"	148.962264
"1371272"	263.334724	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H-2H2O"	-35.012676
"1398363"	281.3447	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H-H2O"	-17.0027
"296841"	597.702076	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+H"	1.007276
"689997"	896.049476	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+H"	1.007276
"1366668"	299.354676	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H"	1.007276
"139963"	299.354676	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+2H"	2.014552
"580615"	448.528376	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+2H"	2.014552
"1049413"	150.180976	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2H"	2.014552
"215856"	199.905542666667	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+3H"	3.021828
"657969"	299.354676	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+3H"	3.021828
"1173907"	100.456409333333	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+3H"	3.021828
"433897"	614.728623	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+NH4"	18.033823
"798172"	913.076023	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+NH4"	18.033823
"1694142"	316.381223	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+NH4"	18.033823
"341694"	307.8679495	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+H+NH4"	19.041099
"731933"	457.0416495	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+H+NH4"	19.041099
"1488671"	158.6942495	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H+NH4"	19.041099
"404070"	619.684018	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+Na"	22.989218
"764336"	918.031418	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+Na"	22.989218
"1612433"	321.336618	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Na"	22.989218
"327934"	310.345647	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+H+Na"	23.996494
"722137"	459.519347	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+H+Na"	23.996494
"1476119"	161.171947	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H+Na"	23.996494
"1066693"	107.783723333333	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2H+Na"	25.00377
"1271650"	331.380886	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+CH3OH+H"	33.033486
"389859"	635.657958	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+K"	38.963158
"749756"	934.005358	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+K"	38.963158
"1554005"	337.310558	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+K"	38.963158
"311546"	318.332617	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+H+K"	39.970434
"703969"	467.506317	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+H+K"	39.970434
"1456329"	169.158917	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H+K"	39.970434
"242745"	638.728626	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+ACN+H"	42.033826
"1225390"	340.381226	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+ACN+H"	42.033826
"1209188"	170.694251	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+ACN+2H"	43.041102
"203768"	641.66596	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+2Na-H"	44.97116
"644013"	940.01336	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+2Na-H"	44.97116
"1145490"	343.31856	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2Na-H"	44.97116
"186593"	321.336618	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+2Na"	45.978436
"628383"	470.510318	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+2Na"	45.978436
"1131001"	172.162918	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2Na"	45.978436
"1414085"	115.111037333333	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H+2Na"	46.985712
"1445146"	345.360146	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H+HCOOH"	47.012746
"235246"	326.36964	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+3H2O+2H"	56.04448
"1518321"	359.41219	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+IsoProp+H"	61.06479
"422382"	329.323588	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+Na+K"	61.952376
"783382"	478.497288	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+Na+K"	61.952376
"1680809"	180.149888	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Na+K"	61.952376
"264775"	660.710568	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+ACN+Na"	64.015768
"1238581"	362.363168	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+ACN+Na"	64.015768
"1725643"	362.386693	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+NH4+HCOOH"	64.039293
"1189541"	122.438351333333	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+3Na"	68.967654
"1662350"	367.342088	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Na+HCOOH"	68.994688
"167389"	673.61384	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+2K-H"	76.91904
"607315"	971.96124	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+2K-H"	76.91904
"1095107"	375.26644	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2K-H"	76.91904
"154108"	337.310558	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"2M+2K"	77.926316
"592940"	486.484258	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"3M+2K"	77.926316
"1078913"	188.136858	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2K"	77.926316
"1113580"	377.280992	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2K+H"	78.933592
"1347776"	377.368607	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+DMSO+H"	79.021207
"1018856"	381.407776	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2ACN+H"	83.060376
"1535523"	382.401408	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+IsoProp+Na+H"	84.054008
"997601"	191.207526	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+2ACN+2H"	84.067652
"1596475"	383.316028	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+K+HCOOH"	84.968628
"1422135"	413.347538	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+H+CF3COOH"	115.000138
"1152423"	211.720801	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+3ACN+2H"	125.094202
"1705258"	430.374085	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+NH4+CF3COOH"	132.026685
"1635442"	435.32948	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+Na+CF3COOH"	136.98208
"1576559"	451.30342	"C13815"	"Tetrapentylammonium"	"C20H44N"	"298.3474"	"M+K+CF3COOH"	152.95602
"817008"	292.2038	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M"	0
"989332"	273.18541	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"77696"	193.795257333333	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"518470"	291.196524	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"893723"	96.3939906666667	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"15631"	291.196524	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"455142"	437.298424	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"831120"	145.094624	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"88560"	583.400324	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"528483"	875.604124	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"909932"	291.196524	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"54827"	600.426871	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"496577"	892.630671	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"872190"	308.223071	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"36819"	605.382266	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"486021"	897.586066	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"863704"	313.178466	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1624816"	313.178466	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"106810"	309.184863	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"546370"	455.286763	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"938792"	163.082963	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"279535"	619.377002	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"666490"	911.580802	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1284360"	327.173202	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"29104"	621.356206	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"459916"	913.560006	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"838810"	329.152406	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1562304"	329.152406	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"956022"	337.201994	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"376590"	629.405801	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"354473"	643.421451	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1505129"	351.217651	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"962099"	359.183951	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"112220"	327.173202	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"551781"	473.275102	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1022643"	181.071302	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1242223"	371.122685	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1313425"	373.178672	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1333838"	395.160629	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"924533"	405.189386	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1303308"	441.166064	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1372475"	257.191124	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1398450"	275.2011	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"298044"	585.414876	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"691124"	877.618676	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1366862"	293.211076	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"141362"	293.211076	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"581326"	439.312976	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1052693"	147.109176	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"219982"	195.809809333333	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"659782"	293.211076	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1178230"	98.4085426666667	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"436922"	602.441423	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"799376"	894.645223	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1695344"	310.237623	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"344720"	301.7243495	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"736418"	447.8262495	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1490240"	155.6224495	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"406732"	607.396818	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"766633"	899.600618	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1615096"	315.193018	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"328775"	304.202047	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"722410"	450.303947	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1476884"	158.100147	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1067896"	105.735856666667	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1271396"	325.237286	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"392036"	623.370758	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"748773"	915.574558	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1545362"	331.166958	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"306914"	312.189017	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"706144"	458.290917	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1459356"	166.087117	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"246134"	626.441426	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1225582"	334.237626	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1209384"	167.622451	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"204202"	629.37876	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"644071"	921.58256	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1146289"	337.17496	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"187311"	315.193018	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"627965"	461.294918	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1129405"	169.091118	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1414160"	113.063170666667	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1445568"	339.216546	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"235107"	320.22604	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1518431"	353.26859	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"423221"	323.179988	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"784588"	469.281888	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1680796"	177.078088	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"263792"	648.423368	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1239055"	356.219568	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1726121"	356.243093	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1193179"	120.390484666667	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1661733"	361.198488	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"165679"	661.32664	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"609613"	953.53044	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1096311"	369.12284	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"143406"	331.166958	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"594877"	477.268858	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1080482"	185.065058	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1111504"	371.137392	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1348617"	371.225007	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1019578"	375.264176	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1537094"	376.257808	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"1001720"	188.135726	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1601327"	377.172428	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1428443"	407.203938	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1156908"	208.649001	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1707556"	424.230485	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1643206"	429.18588	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1582137"	445.15982	"C13816"	"(9R13R)-12-Oxo-phytodienoic acid;(9R13R)-12-Oxo-phyto-10Z15Z-dienoic acid;(10Z15Z)-(9R13R)-12-Oxophyto-1015-dienoic acid"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"815421"	422.9579	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M"	0
"983852"	403.93951	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-H2O-H"	-19.01839
"77440"	280.964657333333	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M-3H"	-3.021828
"515668"	421.950624	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M-3H"	-3.021828
"893834"	139.978690666667	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-3H"	-3.021828
"10219"	421.950624	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M-2H"	-2.014552
"455496"	633.429574	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M-2H"	-2.014552
"829772"	210.471674	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-2H"	-2.014552
"88673"	844.908524	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M-H"	-1.007276
"532243"	1267.866424	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M-H"	-1.007276
"907492"	421.950624	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-H"	-1.007276
"56033"	861.935071	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M-2H+NH4"	16.019271
"494500"	1284.892971	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M-2H+NH4"	16.019271
"873395"	438.977171	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-2H+NH4"	16.019271
"34742"	866.890466	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M-2H+Na"	20.974666
"483052"	1289.848366	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M-2H+Na"	20.974666
"857573"	443.932566	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-2H+Na"	20.974666
"1628203"	443.932566	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Na-2H"	20.974666
"106918"	439.938963	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M-H+Cl"	33.962126
"543199"	651.417913	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M-H+Cl"	33.962126
"938902"	228.460013	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-H+Cl"	33.962126
"279646"	880.885202	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+Cl"	34.969402
"669878"	1303.843102	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+Cl"	34.969402
"1282281"	457.927302	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Cl"	34.969402
"28118"	882.864406	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M-2H+K"	36.948606
"458931"	1305.822306	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M-2H+K"	36.948606
"842200"	459.906506	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-2H+K"	36.948606
"1559131"	459.906506	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+K-2H"	36.948606
"947015"	467.956094	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-H+HCOOH"	44.998194
"367419"	890.914001	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+HCOOH-H"	44.998201
"349114"	904.929651	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+Hac-H"	59.013851
"1493693"	481.971751	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Hac-H"	59.013851
"960144"	489.938051	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-H+NaCOOH"	66.980151
"110264"	457.927302	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+2Cl"	69.938804
"551770"	669.406252	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+2Cl"	69.938804
"1022754"	246.448352	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2Cl"	69.938804
"1243061"	501.876785	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Br"	78.918885
"1314628"	503.932772	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Cl+HCOOH"	80.974872
"1333827"	525.914729	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Cl+NaCOOH"	102.956829
"919903"	535.943486	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M-H+CF3COOH"	112.985586
"1297705"	571.920164	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Cl+CF3COOH"	148.962264
"1373679"	387.945224	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H-2H2O"	-35.012676
"1398233"	405.9552	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H-H2O"	-17.0027
"296330"	846.923076	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+H"	1.007276
"689846"	1269.880976	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+H"	1.007276
"1365832"	423.965176	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H"	1.007276
"140546"	423.965176	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+2H"	2.014552
"580346"	635.444126	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+2H"	2.014552
"1051698"	212.486226	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2H"	2.014552
"217167"	282.979209333333	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+3H"	3.021828
"658188"	423.965176	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+3H"	3.021828
"1175950"	141.993242666667	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+3H"	3.021828
"438855"	863.949623	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+NH4"	18.033823
"796935"	1286.907523	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+NH4"	18.033823
"1695090"	440.991723	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+NH4"	18.033823
"344467"	432.4784495	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+H+NH4"	19.041099
"736165"	643.9573995	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+H+NH4"	19.041099
"1488893"	220.9994995	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H+NH4"	19.041099
"406476"	868.905018	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+Na"	22.989218
"767109"	1291.862918	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+Na"	22.989218
"1615568"	445.947118	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Na"	22.989218
"327428"	434.956147	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+H+Na"	23.996494
"721552"	646.435097	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+H+Na"	23.996494
"1476220"	223.477197	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H+Na"	23.996494
"1067040"	149.320556666667	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2H+Na"	25.00377
"1272116"	455.991386	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+CH3OH+H"	33.033486
"390809"	884.878958	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+K"	38.963158
"747790"	1307.836858	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+K"	38.963158
"1546559"	461.921058	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+K"	38.963158
"308117"	442.943117	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+H+K"	39.970434
"705526"	654.422067	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+H+K"	39.970434
"1458738"	231.464167	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H+K"	39.970434
"246974"	887.949626	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+ACN+H"	42.033826
"1225328"	464.991726	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+ACN+H"	42.033826
"1209579"	232.999501	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+ACN+2H"	43.041102
"203373"	890.88696	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+2Na-H"	44.97116
"642933"	1313.84486	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+2Na-H"	44.97116
"1146562"	467.92906	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2Na-H"	44.97116
"187178"	445.947118	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+2Na"	45.978436
"627831"	657.426068	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+2Na"	45.978436
"1129878"	234.468168	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2Na"	45.978436
"1413037"	156.647870666667	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H+2Na"	46.985712
"1445318"	469.970646	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H+HCOOH"	47.012746
"232662"	450.98014	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+3H2O+2H"	56.04448
"1524155"	484.02269	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+IsoProp+H"	61.06479
"422601"	453.934088	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+Na+K"	61.952376
"785309"	665.413038	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+Na+K"	61.952376
"1680870"	242.455138	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Na+K"	61.952376
"267071"	909.931568	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+ACN+Na"	64.015768
"1239895"	486.973668	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+ACN+Na"	64.015768
"1726957"	486.997193	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+NH4+HCOOH"	64.039293
"1193041"	163.975184666667	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+3Na"	68.967654
"1660020"	491.952588	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Na+HCOOH"	68.994688
"167974"	922.83484	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+2K-H"	76.91904
"608629"	1345.79274	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+2K-H"	76.91904
"1095329"	499.87694	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2K-H"	76.91904
"143397"	461.921058	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"2M+2K"	77.926316
"582345"	673.400008	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"3M+2K"	77.926316
"1072936"	250.442108	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2K"	77.926316
"1107237"	501.891492	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2K+H"	78.933592
"1350188"	501.979107	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+DMSO+H"	79.021207
"1015435"	506.018276	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2ACN+H"	83.060376
"1537570"	507.011908	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+IsoProp+Na+H"	84.054008
"999642"	253.512776	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+2ACN+2H"	84.067652
"1597790"	507.926528	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+K+HCOOH"	84.968628
"1426730"	537.958038	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+H+CF3COOH"	115.000138
"1155925"	274.026051	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+3ACN+2H"	125.094202
"1706573"	554.984585	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+NH4+CF3COOH"	132.026685
"1645504"	559.93998	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+Na+CF3COOH"	136.98208
"1582247"	575.91392	"C13817"	"8-Br-cGMP;8-Bromocyclic GMP"	"C10H11BrN5O7P"	"422.9579"	"M+K+CF3COOH"	152.95602
"815653"	378.2406	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M"	0
"987242"	359.22221	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-H2O-H"	-19.01839
"74390"	251.153124	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M-3H"	-3.021828
"517114"	377.233324	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M-3H"	-3.021828
"894430"	125.072924	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-3H"	-3.021828
"8142"	377.233324	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M-2H"	-2.014552
"455575"	566.353624	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M-2H"	-2.014552
"827330"	188.113024	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-2H"	-2.014552
"92308"	755.473924	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M-H"	-1.007276
"533328"	1133.714524	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M-H"	-1.007276
"907601"	377.233324	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-H"	-1.007276
"56143"	772.500471	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M-2H+NH4"	16.019271
"494610"	1150.741071	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M-2H+NH4"	16.019271
"870225"	394.259871	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-2H+NH4"	16.019271
"37034"	777.455866	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M-2H+Na"	20.974666
"483162"	1155.696466	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M-2H+Na"	20.974666
"862423"	399.215266	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-2H+Na"	20.974666
"1628313"	399.215266	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Na-2H"	20.974666
"107756"	395.221663	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M-H+Cl"	33.962126
"543309"	584.341963	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M-H+Cl"	33.962126
"940105"	206.101363	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-H+Cl"	33.962126
"278663"	791.450602	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+Cl"	34.969402
"669987"	1169.691202	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+Cl"	34.969402
"1281298"	413.210002	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Cl"	34.969402
"24946"	793.429806	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M-2H+K"	36.948606
"457219"	1171.670406	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M-2H+K"	36.948606
"839030"	415.189206	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-2H+K"	36.948606
"1560336"	415.189206	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+K-2H"	36.948606
"956238"	423.238794	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-H+HCOOH"	44.998194
"369716"	801.479401	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+HCOOH-H"	44.998201
"355785"	815.495051	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+Hac-H"	59.013851
"1501337"	437.254451	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Hac-H"	59.013851
"961226"	445.220751	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-H+NaCOOH"	66.980151
"112320"	413.210002	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+2Cl"	69.938804
"554067"	602.330302	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+2Cl"	69.938804
"1023958"	224.089702	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2Cl"	69.938804
"1246818"	457.159485	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Br"	78.918885
"1314738"	459.215472	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Cl+HCOOH"	80.974872
"1334301"	481.197429	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Cl+NaCOOH"	102.956829
"920013"	491.226186	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M-H+CF3COOH"	112.985586
"1297815"	527.202864	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Cl+CF3COOH"	148.962264
"1375976"	343.227924	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H-2H2O"	-35.012676
"1396393"	361.2379	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H-H2O"	-17.0027
"293160"	757.488476	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+H"	1.007276
"689592"	1135.729076	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+H"	1.007276
"1364117"	379.247876	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H"	1.007276
"139923"	379.247876	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+2H"	2.014552
"576567"	568.368176	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+2H"	2.014552
"1050834"	190.127576	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2H"	2.014552
"213267"	253.167676	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+3H"	3.021828
"655016"	379.247876	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+3H"	3.021828
"1175330"	127.087476	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+3H"	3.021828
"436413"	774.515023	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+NH4"	18.033823
"796315"	1152.755623	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+NH4"	18.033823
"1693377"	396.274423	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+NH4"	18.033823
"344819"	387.7611495	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+H+NH4"	19.041099
"735543"	576.8814495	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+H+NH4"	19.041099
"1490094"	198.6408495	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H+NH4"	19.041099
"405858"	779.470418	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+Na"	22.989218
"767944"	1157.711018	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+Na"	22.989218
"1615678"	401.229818	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Na"	22.989218
"329238"	390.238847	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+H+Na"	23.996494
"721783"	579.359147	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+H+Na"	23.996494
"1476208"	201.118547	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H+Na"	23.996494
"1067515"	134.41479	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2H+Na"	25.00377
"1272510"	411.274086	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+CH3OH+H"	33.033486
"390918"	795.444358	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+K"	38.963158
"746807"	1173.684958	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+K"	38.963158
"1546669"	417.203758	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+K"	38.963158
"300927"	398.225817	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+H+K"	39.970434
"693350"	587.346117	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+H+K"	39.970434
"1447293"	209.105517	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H+K"	39.970434
"237597"	798.515026	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+ACN+H"	42.033826
"1225277"	420.274426	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+ACN+H"	42.033826
"1209037"	210.640851	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+ACN+2H"	43.041102
"203486"	801.45236	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+2Na-H"	44.97116
"643412"	1179.69296	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+2Na-H"	44.97116
"1146191"	423.21176	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2Na-H"	44.97116
"187896"	401.229818	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+2Na"	45.978436
"628066"	590.350118	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+2Na"	45.978436
"1130844"	212.109518	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2Na"	45.978436
"1413594"	141.742104	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H+2Na"	46.985712
"1445022"	425.253346	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H+HCOOH"	47.012746
"233500"	406.26284	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+3H2O+2H"	56.04448
"1522292"	439.30539	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+IsoProp+H"	61.06479
"420892"	409.216788	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+Na+K"	61.952376
"784690"	598.337088	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+Na+K"	61.952376
"1678591"	220.096488	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Na+K"	61.952376
"266931"	820.496968	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+ACN+Na"	64.015768
"1240734"	442.256368	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+ACN+Na"	64.015768
"1727679"	442.279893	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+NH4+HCOOH"	64.039293
"1193516"	149.069418	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+3Na"	68.967654
"1661590"	447.235288	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Na+HCOOH"	68.994688
"170274"	833.40024	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+2K-H"	76.91904
"612388"	1211.64084	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+2K-H"	76.91904
"1098721"	455.15964	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2K-H"	76.91904
"145695"	417.203758	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"2M+2K"	77.926316
"586348"	606.324058	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"3M+2K"	77.926316
"1075963"	228.083458	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2K"	77.926316
"1108444"	457.174192	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2K+H"	78.933592
"1349450"	457.261807	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+DMSO+H"	79.021207
"1016639"	461.300976	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2ACN+H"	83.060376
"1538046"	462.294608	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+IsoProp+Na+H"	84.054008
"999024"	231.154126	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+2ACN+2H"	84.067652
"1598992"	463.209228	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+K+HCOOH"	84.968628
"1425747"	493.240738	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+H+CF3COOH"	115.000138
"1154942"	251.667401	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+3ACN+2H"	125.094202
"1706683"	510.267285	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+NH4+CF3COOH"	132.026685
"1645614"	515.22268	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+Na+CF3COOH"	136.98208
"1582357"	531.19662	"C13818"	"F4-Neuroprostane (4-series)"	"C22H34O5"	"378.2406"	"M+K+CF3COOH"	152.95602
"815277"	378.2406	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M"	0
"989175"	359.22221	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-H2O-H"	-19.01839
"76687"	251.153124	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M-3H"	-3.021828
"518034"	377.233324	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M-3H"	-3.021828
"894419"	125.072924	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-3H"	-3.021828
"14084"	377.233324	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M-2H"	-2.014552
"455038"	566.353624	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M-2H"	-2.014552
"829990"	188.113024	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-2H"	-2.014552
"91078"	755.473924	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M-H"	-1.007276
"531731"	1133.714524	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M-H"	-1.007276
"904065"	377.233324	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-H"	-1.007276
"56252"	772.500471	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M-2H+NH4"	16.019271
"492532"	1150.741071	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M-2H+NH4"	16.019271
"871426"	394.259871	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-2H+NH4"	16.019271
"39325"	777.455866	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M-2H+Na"	20.974666
"482180"	1155.696466	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M-2H+Na"	20.974666
"861804"	399.215266	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-2H+Na"	20.974666
"1622227"	399.215266	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Na-2H"	20.974666
"106045"	395.221663	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M-H+Cl"	33.962126
"541233"	584.341963	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M-H+Cl"	33.962126
"939121"	206.101363	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-H+Cl"	33.962126
"280593"	791.450602	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+Cl"	34.969402
"669002"	1169.691202	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+Cl"	34.969402
"1282498"	413.210002	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Cl"	34.969402
"26877"	793.429806	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M-2H+K"	36.948606
"457329"	1171.670406	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M-2H+K"	36.948606
"834764"	415.189206	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-2H+K"	36.948606
"1563726"	415.189206	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+K-2H"	36.948606
"956713"	423.238794	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-H+HCOOH"	44.998194
"372013"	801.479401	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+HCOOH-H"	44.998201
"358811"	815.495051	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+Hac-H"	59.013851
"1505821"	437.254451	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Hac-H"	59.013851
"965706"	445.220751	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-H+NaCOOH"	66.980151
"115710"	413.210002	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+2Cl"	69.938804
"558549"	602.330302	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+2Cl"	69.938804
"1028441"	224.089702	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2Cl"	69.938804
"1249112"	457.159485	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Br"	78.918885
"1309377"	459.215472	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Cl+HCOOH"	80.974872
"1329063"	481.197429	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Cl+NaCOOH"	102.956829
"916838"	491.226186	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M-H+CF3COOH"	112.985586
"1297925"	527.202864	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Cl+CF3COOH"	148.962264
"1373899"	343.227924	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H-2H2O"	-35.012676
"1389208"	361.2379	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H-H2O"	-17.0027
"292174"	757.488476	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+H"	1.007276
"683500"	1135.729076	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+H"	1.007276
"1363133"	379.247876	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H"	1.007276
"138940"	379.247876	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+2H"	2.014552
"576676"	568.368176	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+2H"	2.014552
"1044380"	190.127576	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2H"	2.014552
"214471"	253.167676	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+3H"	3.021828
"656951"	379.247876	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+3H"	3.021828
"1172156"	127.087476	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+3H"	3.021828
"437618"	774.515023	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+NH4"	18.033823
"796424"	1152.755623	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+NH4"	18.033823
"1694221"	396.274423	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+NH4"	18.033823
"343232"	387.7611495	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+H+NH4"	19.041099
"735654"	576.8814495	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+H+NH4"	19.041099
"1490203"	198.6408495	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H+NH4"	19.041099
"403780"	779.470418	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+Na"	22.989218
"763680"	1157.711018	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+Na"	22.989218
"1615060"	401.229818	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Na"	22.989218
"327283"	390.238847	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+H+Na"	23.996494
"719703"	579.359147	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+H+Na"	23.996494
"1475349"	201.118547	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H+Na"	23.996494
"1065675"	134.41479	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2H+Na"	25.00377
"1272090"	411.274086	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+CH3OH+H"	33.033486
"390298"	795.444358	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+K"	38.963158
"748010"	1173.684958	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+K"	38.963158
"1544592"	417.203758	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+K"	38.963158
"301764"	398.225817	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+H+K"	39.970434
"692002"	587.346117	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+H+K"	39.970434
"1449097"	209.105517	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H+K"	39.970434
"237703"	798.515026	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+ACN+H"	42.033826
"1223190"	420.274426	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+ACN+H"	42.033826
"1209147"	210.640851	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+ACN+2H"	43.041102
"203473"	801.45236	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+2Na-H"	44.97116
"642666"	1179.69296	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+2Na-H"	44.97116
"1146301"	423.21176	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2Na-H"	44.97116
"187767"	401.229818	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+2Na"	45.978436
"628134"	590.350118	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+2Na"	45.978436
"1130709"	212.109518	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2Na"	45.978436
"1412162"	141.742104	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H+2Na"	46.985712
"1444285"	425.253346	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H+HCOOH"	47.012746
"233610"	406.26284	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+3H2O+2H"	56.04448
"1523137"	439.30539	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+IsoProp+H"	61.06479
"421731"	409.216788	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+Na+K"	61.952376
"784800"	598.337088	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+Na+K"	61.952376
"1680889"	220.096488	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Na+K"	61.952376
"265216"	820.496968	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+ACN+Na"	64.015768
"1240602"	442.256368	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+ACN+Na"	64.015768
"1728033"	442.279893	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+NH4+HCOOH"	64.039293
"1193263"	149.069418	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+3Na"	68.967654
"1663888"	447.235288	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Na+HCOOH"	68.994688
"170748"	833.40024	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+2K-H"	76.91904
"611890"	1211.64084	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+2K-H"	76.91904
"1098226"	455.15964	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2K-H"	76.91904
"143617"	417.203758	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"2M+2K"	77.926316
"586458"	606.324058	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"3M+2K"	77.926316
"1074250"	228.083458	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2K"	77.926316
"1107461"	457.174192	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2K+H"	78.933592
"1344939"	457.261807	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+DMSO+H"	79.021207
"1012374"	461.300976	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2ACN+H"	83.060376
"1537793"	462.294608	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+IsoProp+Na+H"	84.054008
"1003997"	231.154126	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+2ACN+2H"	84.067652
"1597647"	463.209228	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+K+HCOOH"	84.968628
"1424766"	493.240738	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+H+CF3COOH"	115.000138
"1156145"	251.667401	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+3ACN+2H"	125.094202
"1705700"	510.267285	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+NH4+CF3COOH"	132.026685
"1647911"	515.22268	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+Na+CF3COOH"	136.98208
"1582467"	531.19662	"C13819"	"F4-Neuroprostane (7-series)"	"C22H34O5"	"378.2406"	"M+K+CF3COOH"	152.95602
"815630"	324.1144	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M"	0
"986368"	305.09601	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-H2O-H"	-19.01839
"74610"	215.068990666667	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M-3H"	-3.021828
"509798"	323.107124	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M-3H"	-3.021828
"894161"	107.030857333333	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-3H"	-3.021828
"11641"	323.107124	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M-2H"	-2.014552
"455630"	485.164324	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M-2H"	-2.014552
"830099"	161.049924	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-2H"	-2.014552
"92281"	647.221524	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M-H"	-1.007276
"532570"	971.335924	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M-H"	-1.007276
"908548"	323.107124	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-H"	-1.007276
"56362"	664.248071	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M-2H+NH4"	16.019271
"501388"	988.362471	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M-2H+NH4"	16.019271
"868256"	340.133671	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-2H+NH4"	16.019271
"39435"	669.203466	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M-2H+Na"	20.974666
"484478"	993.317866	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M-2H+Na"	20.974666
"862279"	345.089066	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-2H+Na"	20.974666
"1632175"	345.089066	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Na-2H"	20.974666
"106884"	341.095463	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M-H+Cl"	33.962126
"542436"	503.152663	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M-H+Cl"	33.962126
"940325"	179.038263	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-H+Cl"	33.962126
"281676"	683.198202	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+Cl"	34.969402
"672029"	1007.312602	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+Cl"	34.969402
"1285524"	359.083802	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Cl"	34.969402
"29173"	685.177406	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M-2H+K"	36.948606
"458533"	1009.291806	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M-2H+K"	36.948606
"835969"	361.063006	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-2H+K"	36.948606
"1564930"	361.063006	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+K-2H"	36.948606
"957915"	369.112594	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-H+HCOOH"	44.998194
"375403"	693.227001	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+HCOOH-H"	44.998201
"357098"	707.242651	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+Hac-H"	59.013851
"1505929"	383.128251	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Hac-H"	59.013851
"965816"	391.094551	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-H+NaCOOH"	66.980151
"119100"	359.083802	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+2Cl"	69.938804
"561939"	521.141002	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+2Cl"	69.938804
"1028551"	197.026602	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2Cl"	69.938804
"1247035"	403.033285	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Br"	78.918885
"1308393"	405.089272	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Cl+HCOOH"	80.974872
"1330264"	427.071229	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Cl+NaCOOH"	102.956829
"916948"	437.099986	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M-H+CF3COOH"	112.985586
"1298035"	473.076664	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Cl+CF3COOH"	148.962264
"1376193"	289.101724	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H-2H2O"	-35.012676
"1392598"	307.1117	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H-H2O"	-17.0027
"294469"	649.236076	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+H"	1.007276
"682516"	973.350476	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+H"	1.007276
"1358869"	325.121676	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H"	1.007276
"138686"	325.121676	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+2H"	2.014552
"572412"	487.178876	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+2H"	2.014552
"1049957"	163.064476	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2H"	2.014552
"214581"	217.083542666667	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+3H"	3.021828
"658518"	325.121676	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+3H"	3.021828
"1176278"	109.045409333333	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+3H"	3.021828
"436636"	666.262623	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+NH4"	18.033823
"798720"	990.377023	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+NH4"	18.033823
"1693969"	342.148223	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+NH4"	18.033823
"345495"	333.6349495	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+H+NH4"	19.041099
"736857"	495.6921495	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+H+NH4"	19.041099
"1490677"	171.5777495	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H+NH4"	19.041099
"404983"	671.218018	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+Na"	22.989218
"764884"	995.332418	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+Na"	22.989218
"1616263"	347.103618	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Na"	22.989218
"327392"	336.112647	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+H+Na"	23.996494
"716534"	498.169847	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+H+Na"	23.996494
"1474728"	174.055447	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H+Na"	23.996494
"1062506"	116.372723333333	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2H+Na"	25.00377
"1271106"	357.147886	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+CH3OH+H"	33.033486
"388220"	687.191958	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+K"	38.963158
"749212"	1011.306358	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+K"	38.963158
"1549077"	363.077558	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+K"	38.963158
"300780"	344.099617	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+H+K"	39.970434
"692836"	506.156817	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+H+K"	39.970434
"1449573"	182.042417	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H+K"	39.970434
"237448"	690.262626	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+ACN+H"	42.033826
"1224026"	366.148226	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+ACN+H"	42.033826
"1209746"	183.577751	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+ACN+2H"	43.041102
"203218"	693.19996	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+2Na-H"	44.97116
"643384"	1017.31436	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+2Na-H"	44.97116
"1146931"	369.08556	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2Na-H"	44.97116
"188123"	347.103618	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+2Na"	45.978436
"628370"	509.160818	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+2Na"	45.978436
"1131024"	185.046418	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2Na"	45.978436
"1413692"	123.700037333333	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H+2Na"	46.985712
"1442199"	371.127146	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H+HCOOH"	47.012746
"235059"	352.13664	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+3H2O+2H"	56.04448
"1523965"	385.17919	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+IsoProp+H"	61.06479
"423869"	355.090588	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+Na+K"	61.952376
"783207"	517.147788	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+Na+K"	61.952376
"1678443"	193.033388	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Na+K"	61.952376
"263867"	712.244568	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+ACN+Na"	64.015768
"1240227"	388.130168	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+ACN+Na"	64.015768
"1726197"	388.153693	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+NH4+HCOOH"	64.039293
"1192886"	131.027351333333	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+3Na"	68.967654
"1664971"	393.109088	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Na+HCOOH"	68.994688
"171223"	725.14784	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+2K-H"	76.91904
"611513"	1049.26224	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+2K-H"	76.91904
"1099308"	401.03344	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2K-H"	76.91904
"144822"	363.077558	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"2M+2K"	77.926316
"586570"	525.134758	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"3M+2K"	77.926316
"1074361"	201.020358	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2K"	77.926316
"1107572"	403.047992	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2K+H"	78.933592
"1343955"	403.135607	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+DMSO+H"	79.021207
"1013578"	407.174776	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2ACN+H"	83.060376
"1537902"	408.168408	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+IsoProp+Na+H"	84.054008
"1001433"	204.091026	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+2ACN+2H"	84.067652
"1599216"	409.083028	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+K+HCOOH"	84.968628
"1426698"	439.114538	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+H+CF3COOH"	115.000138
"1161721"	224.604301	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+3ACN+2H"	125.094202
"1705810"	456.141085	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+NH4+CF3COOH"	132.026685
"1648021"	461.09648	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+Na+CF3COOH"	136.98208
"1582577"	477.07042	"C13820"	"Chromanol 293B"	"C15H20N2O4S"	"324.1144"	"M+K+CF3COOH"	152.95602
"815133"	480.4906	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M"	0
"985385"	461.47221	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-H2O-H"	-19.01839
"74720"	319.319790666667	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M-3H"	-3.021828
"509908"	479.483324	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M-3H"	-3.021828
"894271"	159.156257333333	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-3H"	-3.021828
"8471"	479.483324	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M-2H"	-2.014552
"454600"	719.728624	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M-2H"	-2.014552
"830209"	239.238024	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-2H"	-2.014552
"92391"	959.973924	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M-H"	-1.007276
"533291"	1440.464524	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M-H"	-1.007276
"910239"	479.483324	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-H"	-1.007276
"60971"	977.000471	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M-2H+NH4"	16.019271
"499313"	1457.491071	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M-2H+NH4"	16.019271
"871648"	496.509871	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-2H+NH4"	16.019271
"41734"	981.955866	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M-2H+Na"	20.974666
"474012"	1462.446466	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M-2H+Na"	20.974666
"862751"	501.465266	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-2H+Na"	20.974666
"1632286"	501.465266	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Na-2H"	20.974666
"105172"	497.471663	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M-H+Cl"	33.962126
"544732"	737.716963	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M-H+Cl"	33.962126
"937154"	257.226363	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-H+Cl"	33.962126
"281057"	995.950602	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+Cl"	34.969402
"673232"	1476.441202	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+Cl"	34.969402
"1287457"	515.460002	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Cl"	34.969402
"28555"	997.929806	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M-2H+K"	36.948606
"460466"	1478.420406	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M-2H+K"	36.948606
"837172"	517.439206	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-2H+K"	36.948606
"1563947"	517.439206	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+K-2H"	36.948606
"957175"	525.488794	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-H+HCOOH"	44.998194
"372233"	1005.979401	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+HCOOH-H"	44.998201
"356115"	1019.995051	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+Hac-H"	59.013851
"1506039"	539.504451	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Hac-H"	59.013851
"965926"	547.470751	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-H+NaCOOH"	66.980151
"115930"	515.460002	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+2Cl"	69.938804
"558770"	755.705302	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+2Cl"	69.938804
"1028661"	275.214702	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2Cl"	69.938804
"1250425"	559.409485	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Br"	78.918885
"1308503"	561.465472	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Cl+HCOOH"	80.974872
"1329281"	583.447429	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Cl+NaCOOH"	102.956829
"917058"	593.476186	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M-H+CF3COOH"	112.985586
"1298145"	629.452864	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Cl+CF3COOH"	148.962264
"1375210"	445.477924	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H-2H2O"	-35.012676
"1391615"	463.4879	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H-H2O"	-17.0027
"293486"	961.988476	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+H"	1.007276
"681533"	1442.479076	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+H"	1.007276
"1358979"	481.497876	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H"	1.007276
"138066"	481.497876	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+2H"	2.014552
"580301"	721.743176	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+2H"	2.014552
"1051042"	241.252576	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2H"	2.014552
"215785"	321.334342666667	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+3H"	3.021828
"657533"	481.497876	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+3H"	3.021828
"1173472"	161.170809333333	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+3H"	3.021828
"435651"	979.015023	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+NH4"	18.033823
"797737"	1459.505623	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+NH4"	18.033823
"1693350"	498.524423	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+NH4"	18.033823
"343452"	490.0111495	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+H+NH4"	19.041099
"736603"	730.2564495	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+H+NH4"	19.041099
"1488600"	249.7658495	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H+NH4"	19.041099
"404000"	983.970418	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+Na"	22.989218
"767183"	1464.461018	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+Na"	22.989218
"1616373"	503.479818	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Na"	22.989218
"325316"	492.488847	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+H+Na"	23.996494
"716643"	732.734147	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+H+Na"	23.996494
"1473380"	252.243547	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H+Na"	23.996494
"1063708"	168.498123333333	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2H+Na"	25.00377
"1269756"	513.524086	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+CH3OH+H"	33.033486
"388330"	999.944358	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+K"	38.963158
"746043"	1480.434958	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+K"	38.963158
"1544814"	519.453758	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+K"	38.963158
"299436"	500.475817	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+H+K"	39.970434
"691380"	740.721117	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+H+K"	39.970434
"1447495"	260.230517	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H+K"	39.970434
"236460"	1003.015026	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+ACN+H"	42.033826
"1216092"	522.524426	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+ACN+H"	42.033826
"1196333"	261.765851	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+ACN+2H"	43.041102
"203771"	1005.95236	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+2Na-H"	44.97116
"642884"	1486.44296	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+2Na-H"	44.97116
"1146641"	525.46176	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2Na-H"	44.97116
"188111"	503.479818	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+2Na"	45.978436
"628033"	743.725118	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+2Na"	45.978436
"1131233"	263.234518	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2Na"	45.978436
"1413479"	175.825437333333	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H+2Na"	46.985712
"1441216"	527.503346	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H+HCOOH"	47.012746
"226537"	508.51284	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+3H2O+2H"	56.04448
"1524011"	541.55539	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+IsoProp+H"	61.06479
"424096"	511.466788	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+Na+K"	61.952376
"782590"	751.712088	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+Na+K"	61.952376
"1679283"	271.221488	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Na+K"	61.952376
"264351"	1024.996968	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+ACN+Na"	64.015768
"1238518"	544.506368	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+ACN+Na"	64.015768
"1726310"	544.529893	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+NH4+HCOOH"	64.039293
"1192390"	183.152751333333	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+3Na"	68.967654
"1664474"	549.485288	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Na+HCOOH"	68.994688
"170240"	1037.90024	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+2K-H"	76.91904
"610165"	1518.39084	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+2K-H"	76.91904
"1097958"	557.40964	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2K-H"	76.91904
"144931"	519.453758	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"2M+2K"	77.926316
"584493"	759.699058	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"3M+2K"	77.926316
"1074471"	279.208458	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2K"	77.926316
"1111691"	559.424192	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2K+H"	78.933592
"1342973"	559.511807	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+DMSO+H"	79.021207
"1013690"	563.550976	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2ACN+H"	83.060376
"1535096"	564.544608	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+IsoProp+Na+H"	84.054008
"997168"	282.279126	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+2ACN+2H"	84.067652
"1599326"	565.459228	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+K+HCOOH"	84.968628
"1427172"	595.490738	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+H+CF3COOH"	115.000138
"1161103"	302.792401	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+3ACN+2H"	125.094202
"1702640"	612.517285	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+NH4+CF3COOH"	132.026685
"1648131"	617.47268	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+Na+CF3COOH"	136.98208
"1582687"	633.44662	"C13821"	"1-Hexadecyl hexadecanoate"	"C32H64O2"	"480.4906"	"M+K+CF3COOH"	152.95602
"815607"	650.6213	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M"	0
"986588"	631.60291	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-H2O-H"	-19.01839
"74830"	432.740257333333	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M-3H"	-3.021828
"510018"	649.614024	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M-3H"	-3.021828
"891100"	215.866490666667	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-3H"	-3.021828
"8581"	649.614024	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M-2H"	-2.014552
"455444"	974.924674	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M-2H"	-2.014552
"830077"	324.303374	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-2H"	-2.014552
"89221"	1300.235324	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M-H"	-1.007276
"530971"	1950.856624	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M-H"	-1.007276
"907675"	649.614024	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-H"	-1.007276
"56583"	1317.261871	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M-2H+NH4"	16.019271
"493956"	1967.883171	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M-2H+NH4"	16.019271
"875037"	666.640571	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-2H+NH4"	16.019271
"36377"	1322.217266	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M-2H+Na"	20.974666
"483599"	1972.838566	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M-2H+Na"	20.974666
"860313"	671.595966	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-2H+Na"	20.974666
"1631666"	671.595966	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Na-2H"	20.974666
"103097"	667.602363	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M-H+Cl"	33.962126
"547759"	992.913013	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M-H+Cl"	33.962126
"936171"	342.291713	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-H+Cl"	33.962126
"281289"	1336.212002	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+Cl"	34.969402
"674320"	1986.833302	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+Cl"	34.969402
"1286839"	685.590702	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Cl"	34.969402
"26479"	1338.191206	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M-2H+K"	36.948606
"461669"	1988.812506	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M-2H+K"	36.948606
"839470"	687.569906	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-2H+K"	36.948606
"1564057"	687.569906	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+K-2H"	36.948606
"956313"	695.619494	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-H+HCOOH"	44.998194
"373072"	1346.240801	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+HCOOH-H"	44.998201
"355131"	1360.256451	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+Hac-H"	59.013851
"1502870"	709.635151	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Hac-H"	59.013851
"969317"	717.601451	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-H+NaCOOH"	66.980151
"123571"	685.590702	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+2Cl"	69.938804
"559975"	1010.901352	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+2Cl"	69.938804
"1025493"	360.280052	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2Cl"	69.938804
"1250536"	729.540185	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Br"	78.918885
"1306059"	731.596172	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Cl+HCOOH"	80.974872
"1329391"	753.578129	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Cl+NaCOOH"	102.956829
"917168"	763.606886	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M-H+CF3COOH"	112.985586
"1299348"	799.583564	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Cl+CF3COOH"	148.962264
"1376413"	615.608624	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H-2H2O"	-35.012676
"1391725"	633.6186	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H-H2O"	-17.0027
"294689"	1302.249876	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+H"	1.007276
"684924"	1952.871176	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+H"	1.007276
"1361275"	651.628576	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H"	1.007276
"137444"	651.628576	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+2H"	2.014552
"575912"	976.939226	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+2H"	2.014552
"1051031"	326.317926	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2H"	2.014552
"213707"	434.754809333333	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+3H"	3.021828
"656549"	651.628576	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+3H"	3.021828
"1172488"	217.881042666667	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+3H"	3.021828
"435761"	1319.276423	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+NH4"	18.033823
"796753"	1969.897723	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+NH4"	18.033823
"1693096"	668.655123	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+NH4"	18.033823
"343558"	660.1418495	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+H+NH4"	19.041099
"732703"	985.4524995	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+H+NH4"	19.041099
"1489076"	334.8311995	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H+NH4"	19.041099
"403017"	1324.231818	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+Na"	22.989218
"766200"	1974.853118	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+Na"	22.989218
"1614296"	673.610518	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Na"	22.989218
"325425"	662.619547	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+H+Na"	23.996494
"713474"	987.930197	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+H+Na"	23.996494
"1471304"	337.308897	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H+Na"	23.996494
"1066004"	225.208356666667	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2H+Na"	25.00377
"1271568"	683.654786	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+CH3OH+H"	33.033486
"386253"	1340.205758	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+K"	38.963158
"747246"	1990.827058	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+K"	38.963158
"1548205"	689.584458	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+K"	38.963158
"307567"	670.606517	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+H+K"	39.970434
"691407"	995.917167	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+H+K"	39.970434
"1446024"	345.295867	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H+K"	39.970434
"236936"	1343.276426	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+ACN+H"	42.033826
"1212197"	692.655126	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+ACN+H"	42.033826
"1196809"	346.831201	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+ACN+2H"	43.041102
"200998"	1346.21376	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+2Na-H"	44.97116
"642871"	1996.83506	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+2Na-H"	44.97116
"1146781"	695.59246	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2Na-H"	44.97116
"187737"	673.610518	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+2Na"	45.978436
"627413"	998.921168	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+2Na"	45.978436
"1130803"	348.299868	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2Na"	45.978436
"1412861"	232.535670666667	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H+2Na"	46.985712
"1441326"	697.634046	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H+HCOOH"	47.012746
"226645"	678.64354	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+3H2O+2H"	56.04448
"1522981"	711.68609	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+IsoProp+H"	61.06479
"423031"	681.597488	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+Na+K"	61.952376
"779782"	1006.908138	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+Na+K"	61.952376
"1678664"	356.286838	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Na+K"	61.952376
"263727"	1365.258368	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+ACN+Na"	64.015768
"1238624"	714.637068	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+ACN+Na"	64.015768
"1725324"	714.660593	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+NH4+HCOOH"	64.039293
"1192863"	239.862984666667	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+3Na"	68.967654
"1664578"	719.615988	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Na+HCOOH"	68.994688
"169986"	1378.16164	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+2K-H"	76.91904
"610275"	2028.78294	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+2K-H"	76.91904
"1098433"	727.54034	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2K-H"	76.91904
"143947"	689.584458	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"2M+2K"	77.926316
"583872"	1014.895108	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"3M+2K"	77.926316
"1073488"	364.273808	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2K"	77.926316
"1115399"	729.554892	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2K+H"	78.933592
"1345269"	729.642507	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+DMSO+H"	79.021207
"1017082"	733.681676	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2ACN+H"	83.060376
"1537393"	734.675308	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+IsoProp+Na+H"	84.054008
"998372"	367.344476	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+2ACN+2H"	84.067652
"1599802"	735.589928	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+K+HCOOH"	84.968628
"1426189"	765.621438	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+H+CF3COOH"	115.000138
"1159754"	387.857751	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+3ACN+2H"	125.094202
"1701657"	782.647985	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+NH4+CF3COOH"	132.026685
"1644961"	787.60338	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+Na+CF3COOH"	136.98208
"1582797"	803.57732	"C13822"	"2S3R-Didecanoyl-docosane-23-diol"	"C42H82O4"	"650.6213"	"M+K+CF3COOH"	152.95602
"816081"	184.1463	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M"	0
"985605"	165.12791	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-H2O-H"	-19.01839
"73847"	121.756924	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M-3H"	-3.021828
"510128"	183.139024	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M-3H"	-3.021828
"891210"	60.374824	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-3H"	-3.021828
"8691"	183.139024	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M-2H"	-2.014552
"454701"	275.212174	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M-2H"	-2.014552
"830429"	91.065874	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-2H"	-2.014552
"91518"	367.285324	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M-H"	-1.007276
"529984"	551.431624	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M-H"	-1.007276
"905597"	183.139024	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-H"	-1.007276
"53413"	384.311871	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M-2H+NH4"	16.019271
"494066"	568.458171	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M-2H+NH4"	16.019271
"868587"	200.165571	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-2H+NH4"	16.019271
"36487"	389.267266	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M-2H+Na"	20.974666
"483709"	573.413566	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M-2H+Na"	20.974666
"858965"	205.120966	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-2H+Na"	20.974666
"1630683"	205.120966	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Na-2H"	20.974666
"103205"	201.127363	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M-H+Cl"	33.962126
"546047"	293.200513	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M-H+Cl"	33.962126
"934094"	109.054213	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-H+Cl"	33.962126
"280304"	403.262002	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+Cl"	34.969402
"674187"	587.408302	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+Cl"	34.969402
"1285125"	219.115702	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Cl"	34.969402
"23308"	405.241206	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M-2H+K"	36.948606
"461779"	589.387506	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M-2H+K"	36.948606
"834113"	221.094906	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-2H+K"	36.948606
"1564167"	221.094906	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+K-2H"	36.948606
"957397"	229.144494	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-H+HCOOH"	44.998194
"370266"	413.290801	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+HCOOH-H"	44.998201
"357429"	427.306451	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+Hac-H"	59.013851
"1502980"	243.160151	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Hac-H"	59.013851
"966147"	251.126451	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-H+NaCOOH"	66.980151
"120522"	219.115702	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+2Cl"	69.938804
"558992"	311.188852	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+2Cl"	69.938804
"1023780"	127.042552	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2Cl"	69.938804
"1248460"	263.065185	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Br"	78.918885
"1305804"	265.121172	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Cl+HCOOH"	80.974872
"1328408"	287.103129	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Cl+NaCOOH"	102.956829
"917279"	297.131886	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M-H+CF3COOH"	112.985586
"1299458"	333.108564	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Cl+CF3COOH"	148.962264
"1377618"	149.133624	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H-2H2O"	-35.012676
"1391835"	167.1436	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H-H2O"	-17.0027
"295893"	369.299876	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+H"	1.007276
"683941"	553.446176	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+H"	1.007276
"1361385"	185.153576	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H"	1.007276
"135367"	185.153576	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+2H"	2.014552
"572742"	277.226726	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+2H"	2.014552
"1051992"	93.080426	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2H"	2.014552
"213817"	123.771476	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+3H"	3.021828
"657392"	185.153576	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+3H"	3.021828
"1174785"	62.389376	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+3H"	3.021828
"434777"	386.326423	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+NH4"	18.033823
"799050"	570.472723	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+NH4"	18.033823
"1694663"	202.180123	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+NH4"	18.033823
"343668"	193.6668495	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+H+NH4"	19.041099
"735001"	285.7399995	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+H+NH4"	19.041099
"1487365"	101.5936995	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H+NH4"	19.041099
"396565"	391.281818	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+Na"	22.989218
"765216"	575.428118	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+Na"	22.989218
"1614407"	207.135518	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Na"	22.989218
"326632"	196.144547	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+H+Na"	23.996494
"716864"	288.217697	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+H+Na"	23.996494
"1470686"	104.071397	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H+Na"	23.996494
"1067571"	69.71669	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2H+Na"	25.00377
"1271071"	217.179786	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+CH3OH+H"	33.033486
"391715"	407.255758	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+K"	38.963158
"750639"	591.402058	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+K"	38.963158
"1553785"	223.109458	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+K"	38.963158
"307679"	204.131517	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+H+K"	39.970434
"691545"	296.204667	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+H+K"	39.970434
"1448446"	112.058367	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H+K"	39.970434
"238507"	410.326426	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+ACN+H"	42.033826
"1215222"	226.180126	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+ACN+H"	42.033826
"1196193"	113.593701	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+ACN+2H"	43.041102
"203541"	413.26376	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+2Na-H"	44.97116
"642981"	597.41006	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+2Na-H"	44.97116
"1145891"	229.11746	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2Na-H"	44.97116
"187606"	207.135518	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+2Na"	45.978436
"626671"	299.208668	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+2Na"	45.978436
"1130791"	115.062368	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2Na"	45.978436
"1412972"	77.044004	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H+2Na"	46.985712
"1441436"	231.159046	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H+HCOOH"	47.012746
"228578"	212.16854	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+3H2O+2H"	56.04448
"1524026"	245.21109	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+IsoProp+H"	61.06479
"423256"	215.122488	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+Na+K"	61.952376
"781350"	307.195638	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+Na+K"	61.952376
"1679503"	123.049338	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Na+K"	61.952376
"265296"	432.308368	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+ACN+Na"	64.015768
"1236183"	248.162068	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+ACN+Na"	64.015768
"1724341"	248.185593	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+NH4+HCOOH"	64.039293
"1193337"	84.371318	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+3Na"	68.967654
"1661769"	253.140988	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Na+HCOOH"	68.994688
"169731"	445.21164	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+2K-H"	76.91904
"609291"	629.35794	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+2K-H"	76.91904
"1096720"	261.06534	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2K-H"	76.91904
"143693"	223.109458	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"2M+2K"	77.926316
"584347"	315.182608	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"3M+2K"	77.926316
"1072505"	131.036308	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2K"	77.926316
"1115077"	263.079892	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2K+H"	78.933592
"1346474"	263.167507	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+DMSO+H"	79.021207
"1018284"	267.206676	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2ACN+H"	83.060376
"1539652"	268.200308	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+IsoProp+Na+H"	84.054008
"997388"	134.106976	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+2ACN+2H"	84.067652
"1598453"	269.114928	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+K+HCOOH"	84.968628
"1426299"	299.146438	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+H+CF3COOH"	115.000138
"1160837"	154.620251	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+3ACN+2H"	125.094202
"1703949"	316.172985	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+NH4+CF3COOH"	132.026685
"1637777"	321.12838	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+Na+CF3COOH"	136.98208
"1582907"	337.10232	"C13823"	"11-Undecanolactone"	"C11H20O2"	"184.1463"	"M+K+CF3COOH"	152.95602
"815100"	397.159	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M"	0
"983529"	378.14061	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-H2O-H"	-19.01839
"75781"	263.765390666667	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M-3H"	-3.021828
"513518"	396.151724	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M-3H"	-3.021828
"891321"	131.379057333333	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-3H"	-3.021828
"14270"	396.151724	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M-2H"	-2.014552
"451652"	594.731224	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M-2H"	-2.014552
"829452"	197.572224	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-2H"	-2.014552
"86161"	793.310724	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M-H"	-1.007276
"527906"	1190.469724	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M-H"	-1.007276
"903524"	396.151724	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-H"	-1.007276
"53889"	810.337271	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M-2H+NH4"	16.019271
"491990"	1207.496271	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M-2H+NH4"	16.019271
"867605"	413.178271	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-2H+NH4"	16.019271
"34411"	815.292666	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M-2H+Na"	20.974666
"482726"	1212.451666	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M-2H+Na"	20.974666
"858347"	418.133666	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-2H+Na"	20.974666
"1628975"	418.133666	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Na-2H"	20.974666
"104410"	414.140063	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M-H+Cl"	33.962126
"546156"	612.719563	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M-H+Cl"	33.962126
"936392"	215.560563	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-H+Cl"	33.962126
"278229"	829.287402	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+Cl"	34.969402
"671745"	1226.446402	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+Cl"	34.969402
"1286333"	432.128402	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Cl"	34.969402
"29617"	831.266606	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M-2H+K"	36.948606
"462982"	1228.425606	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M-2H+K"	36.948606
"838596"	434.107606	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-2H+K"	36.948606
"1567558"	434.107606	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+K-2H"	36.948606
"954348"	442.157194	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-H+HCOOH"	44.998194
"372202"	839.316201	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+HCOOH-H"	44.998201
"356449"	853.331851	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+Hac-H"	59.013851
"1504188"	456.172851	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Hac-H"	59.013851
"972456"	464.139151	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-H+NaCOOH"	66.980151
"123913"	432.128402	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+2Cl"	69.938804
"560195"	630.707902	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+2Cl"	69.938804
"1026807"	233.548902	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2Cl"	69.938804
"1246385"	476.077885	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Br"	78.918885
"1306644"	478.133872	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Cl+HCOOH"	80.974872
"1323052"	500.115829	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Cl+NaCOOH"	102.956829
"917393"	510.144586	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M-H+CF3COOH"	112.985586
"1300666"	546.121264	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Cl+CF3COOH"	148.962264
"1376641"	362.146324	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H-2H2O"	-35.012676
"1394134"	380.1563	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H-H2O"	-17.0027
"294913"	795.325276	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+H"	1.007276
"681868"	1192.484276	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+H"	1.007276
"1358218"	398.166276	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H"	1.007276
"134389"	398.166276	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+2H"	2.014552
"573948"	596.745776	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+2H"	2.014552
"1051132"	199.586776	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2H"	2.014552
"217579"	265.779942666667	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+3H"	3.021828
"656048"	398.166276	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+3H"	3.021828
"1173811"	133.393609333333	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+3H"	3.021828
"438537"	812.351823	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+NH4"	18.033823
"798070"	1209.510823	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+NH4"	18.033823
"1695137"	415.192823	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+NH4"	18.033823
"343778"	406.6795495	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+H+NH4"	19.041099
"731829"	605.2590495	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+H+NH4"	19.041099
"1481276"	208.1000495	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H+NH4"	19.041099
"395581"	817.307218	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+Na"	22.989218
"762044"	1214.466218	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+Na"	22.989218
"1613424"	420.148218	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Na"	22.989218
"325648"	409.157247	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+H+Na"	23.996494
"718436"	607.736747	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+H+Na"	23.996494
"1472981"	210.577747	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H+Na"	23.996494
"1065862"	140.720923333333	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2H+Na"	25.00377
"1271549"	430.192486	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+CH3OH+H"	33.033486
"392634"	833.281158	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+K"	38.963158
"749655"	1230.440158	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+K"	38.963158
"1548425"	436.122158	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+K"	38.963158
"309975"	417.144217	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+H+K"	39.970434
"694743"	615.723717	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+H+K"	39.970434
"1447464"	218.564717	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H+K"	39.970434
"238981"	836.351826	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+ACN+H"	42.033826
"1215332"	439.192826	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+ACN+H"	42.033826
"1196303"	220.100051	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+ACN+2H"	43.041102
"202800"	839.28916	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+2Na-H"	44.97116
"643582"	1236.44816	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+2Na-H"	44.97116
"1145511"	442.13016	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2Na-H"	44.97116
"185398"	420.148218	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+2Na"	45.978436
"627148"	618.727718	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+2Na"	45.978436
"1130051"	221.568718	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2Na"	45.978436
"1413412"	148.048237333333	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H+2Na"	46.985712
"1444835"	444.171746	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H+HCOOH"	47.012746
"233675"	425.18124	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+3H2O+2H"	56.04448
"1523889"	458.22379	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+IsoProp+H"	61.06479
"423377"	428.135188	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+Na+K"	61.952376
"783524"	626.714688	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+Na+K"	61.952376
"1677427"	229.555688	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Na+K"	61.952376
"263946"	858.333768	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+ACN+Na"	64.015768
"1235564"	461.174768	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+ACN+Na"	64.015768
"1723357"	461.198293	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+NH4+HCOOH"	64.039293
"1191624"	155.375551333333	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+3Na"	68.967654
"1664440"	466.153688	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Na+HCOOH"	68.994688
"167654"	871.23704	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+2K-H"	76.91904
"608308"	1268.39604	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+2K-H"	76.91904
"1096830"	474.07804	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2K-H"	76.91904
"145262"	436.122158	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"2M+2K"	77.926316
"582754"	634.701658	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"3M+2K"	77.926316
"1075897"	237.542658	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2K"	77.926316
"1114820"	476.092592	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2K+H"	78.933592
"1337103"	476.180207	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+DMSO+H"	79.021207
"1006602"	480.219376	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2ACN+H"	83.060376
"1528865"	481.213008	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+IsoProp+Na+H"	84.054008
"990936"	240.613326	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+2ACN+2H"	84.067652
"1591999"	482.127628	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+K+HCOOH"	84.968628
"1420942"	512.159138	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+H+CF3COOH"	115.000138
"1152324"	261.126601	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+3ACN+2H"	125.094202
"1704063"	529.185685	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+NH4+CF3COOH"	132.026685
"1645181"	534.14108	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+Na+CF3COOH"	136.98208
"1583017"	550.11502	"C13824"	"R-L3"	"C25H20FN3O"	"397.159"	"M+K+CF3COOH"	152.95602
"814481"	445.1362	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M"	0
"983639"	426.11781	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-H2O-H"	-19.01839
"76255"	295.750190666667	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M-3H"	-3.021828
"510348"	444.128924	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M-3H"	-3.021828
"891431"	147.371457333333	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-3H"	-3.021828
"12192"	444.128924	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M-2H"	-2.014552
"453462"	666.697024	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M-2H"	-2.014552
"830290"	221.560824	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-2H"	-2.014552
"86271"	889.265124	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M-H"	-1.007276
"526924"	1334.401324	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M-H"	-1.007276
"908006"	444.128924	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-H"	-1.007276
"58008"	906.291671	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M-2H+NH4"	16.019271
"497567"	1351.427871	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M-2H+NH4"	16.019271
"875368"	461.155471	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-2H+NH4"	16.019271
"34520"	911.247066	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M-2H+Na"	20.974666
"481743"	1356.383266	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M-2H+Na"	20.974666
"861372"	466.110866	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-2H+Na"	20.974666
"1630178"	466.110866	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Na-2H"	20.974666
"101239"	462.117263	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M-H+Cl"	33.962126
"545173"	684.685363	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M-H+Cl"	33.962126
"940877"	239.549163	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-H+Cl"	33.962126
"278706"	925.241802	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+Cl"	34.969402
"672584"	1370.378002	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+Cl"	34.969402
"1286082"	480.105602	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Cl"	34.969402
"30458"	927.221006	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M-2H+K"	36.948606
"463092"	1372.357206	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M-2H+K"	36.948606
"839800"	482.084806	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-2H+K"	36.948606
"1569492"	482.084806	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+K-2H"	36.948606
"954460"	490.134394	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-H+HCOOH"	44.998194
"370491"	935.270601	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+HCOOH-H"	44.998201
"358382"	949.286251	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+Hac-H"	59.013851
"1504298"	504.150051	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Hac-H"	59.013851
"972566"	512.116351	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-H+NaCOOH"	66.980151
"122930"	480.105602	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+2Cl"	69.938804
"560306"	702.673702	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+2Cl"	69.938804
"1031293"	257.537502	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2Cl"	69.938804
"1251964"	524.055085	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Br"	78.918885
"1308215"	526.111072	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Cl+HCOOH"	80.974872
"1330817"	548.093029	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Cl+NaCOOH"	102.956829
"921876"	558.121786	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M-H+CF3COOH"	112.985586
"1298590"	594.098464	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Cl+CF3COOH"	148.962264
"1378938"	410.123524	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H-2H2O"	-35.012676
"1392058"	428.1335	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H-H2O"	-17.0027
"291747"	891.279676	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+H"	1.007276
"684165"	1336.415876	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+H"	1.007276
"1359423"	446.143476	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H"	1.007276
"133406"	446.143476	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+2H"	2.014552
"578434"	668.711576	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+2H"	2.014552
"1049420"	223.575376	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2H"	2.014552
"217327"	297.764742666667	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+3H"	3.021828
"657618"	446.143476	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+3H"	3.021828
"1173921"	149.386009333333	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+3H"	3.021828
"438647"	908.306223	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+NH4"	18.033823
"795994"	1353.442423	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+NH4"	18.033823
"1693425"	463.170023	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+NH4"	18.033823
"343889"	454.6567495	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+H+NH4"	19.041099
"733034"	677.2248495	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+H+NH4"	19.041099
"1482479"	232.0886495	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H+NH4"	19.041099
"395690"	913.261618	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+Na"	22.989218
"758872"	1358.397818	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+Na"	22.989218
"1611347"	468.125418	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Na"	22.989218
"323571"	457.134447	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+H+Na"	23.996494
"718182"	679.702547	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+H+Na"	23.996494
"1472000"	234.566347	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H+Na"	23.996494
"1064149"	156.713323333333	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2H+Na"	25.00377
"1266918"	478.169686	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+CH3OH+H"	33.033486
"388774"	929.235558	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+K"	38.963158
"749765"	1374.371758	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+K"	38.963158
"1548535"	484.099358	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+K"	38.963158
"306806"	465.121417	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+H+K"	39.970434
"695947"	687.689517	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+H+K"	39.970434
"1447575"	242.553317	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H+K"	39.970434
"238363"	932.306226	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+ACN+H"	42.033826
"1213621"	487.170026	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+ACN+H"	42.033826
"1195076"	244.088651	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+ACN+2H"	43.041102
"201694"	935.24356	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+2Na-H"	44.97116
"640161"	1380.37976	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+2Na-H"	44.97116
"1146433"	490.10736	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2Na-H"	44.97116
"182956"	468.125418	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+2Na"	45.978436
"627747"	690.693518	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+2Na"	45.978436
"1130401"	245.557318	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2Na"	45.978436
"1413684"	164.040637333333	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H+2Na"	46.985712
"1444211"	492.148946	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H+HCOOH"	47.012746
"232083"	473.15844	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+3H2O+2H"	56.04448
"1523844"	506.20099	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+IsoProp+H"	61.06479
"423002"	476.112388	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+Na+K"	61.952376
"782299"	698.680488	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+Na+K"	61.952376
"1679724"	253.544288	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Na+K"	61.952376
"265028"	954.288168	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+ACN+Na"	64.015768
"1239681"	509.151968	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+ACN+Na"	64.015768
"1726382"	509.175493	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+NH4+HCOOH"	64.039293
"1192585"	171.367951333333	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+3Na"	68.967654
"1663090"	514.130888	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Na+HCOOH"	68.994688
"165577"	967.19144	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+2K-H"	76.91904
"609511"	1412.32764	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+2K-H"	76.91904
"1097304"	522.05524	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2K-H"	76.91904
"145371"	484.099358	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"2M+2K"	77.926316
"583836"	706.667458	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"3M+2K"	77.926316
"1080380"	261.531258	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2K"	77.926316
"1115297"	524.069792	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2K+H"	78.933592
"1337943"	524.157407	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+DMSO+H"	79.021207
"1011940"	528.196576	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2ACN+H"	83.060376
"1536629"	529.190208	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+IsoProp+Na+H"	84.054008
"993234"	264.601926	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+2ACN+2H"	84.067652
"1595390"	530.104828	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+K+HCOOH"	84.968628
"1421053"	560.136338	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+H+CF3COOH"	115.000138
"1154621"	285.115201	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+3ACN+2H"	125.094202
"1704173"	577.162885	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+NH4+CF3COOH"	132.026685
"1645291"	582.11828	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+Na+CF3COOH"	136.98208
"1583127"	598.09222	"C13825"	"O-Hexanoyl-adnosine monophosphate"	"C16H24N5O8P"	"445.1362"	"M+K+CF3COOH"	152.95602
"816892"	303.1383	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M"	0
"989216"	284.11991	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-H2O-H"	-19.01839
"78225"	201.084924	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M-3H"	-3.021828
"518277"	302.131024	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M-3H"	-3.021828
"891540"	100.038824	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-3H"	-3.021828
"15544"	302.131024	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M-2H"	-2.014552
"454785"	453.700174	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M-2H"	-2.014552
"831855"	150.561874	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-2H"	-2.014552
"86381"	605.269324	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M-H"	-1.007276
"530314"	908.407624	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M-H"	-1.007276
"908115"	302.131024	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-H"	-1.007276
"57023"	622.295871	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M-2H+NH4"	16.019271
"495490"	925.434171	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M-2H+NH4"	16.019271
"873291"	319.157571	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-2H+NH4"	16.019271
"37911"	627.251266	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M-2H+Na"	20.974666
"484037"	930.389566	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M-2H+Na"	20.974666
"863835"	324.112966	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-2H+Na"	20.974666
"1632474"	324.112966	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Na-2H"	20.974666
"106817"	320.119363	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M-H+Cl"	33.962126
"547471"	471.688513	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M-H+Cl"	33.962126
"940986"	168.550213	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-H+Cl"	33.962126
"281246"	641.246002	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+Cl"	34.969402
"674638"	944.384302	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+Cl"	34.969402
"1287043"	338.107702	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Cl"	34.969402
"30974"	643.225206	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M-2H+K"	36.948606
"465389"	946.363506	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M-2H+K"	36.948606
"843190"	340.086906	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-2H+K"	36.948606
"1569602"	340.086906	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+K-2H"	36.948606
"956758"	348.136494	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-H+HCOOH"	44.998194
"373881"	651.274801	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+HCOOH-H"	44.998201
"358856"	665.290451	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+Hac-H"	59.013851
"1506595"	362.152151	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Hac-H"	59.013851
"972798"	370.118451	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-H+NaCOOH"	66.980151
"124133"	338.107702	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+2Cl"	69.938804
"561511"	489.676852	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+2Cl"	69.938804
"1030309"	186.538552	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2Cl"	69.938804
"1254261"	382.057185	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Br"	78.918885
"1307231"	384.113172	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Cl+HCOOH"	80.974872
"1332020"	406.095129	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Cl+NaCOOH"	102.956829
"920893"	416.123886	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M-H+CF3COOH"	112.985586
"1297609"	452.100564	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Cl+CF3COOH"	148.962264
"1378686"	268.125624	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H-2H2O"	-35.012676
"1398204"	286.1356	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H-H2O"	-17.0027
"296595"	607.283876	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+H"	1.007276
"689379"	910.422176	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+H"	1.007276
"1362812"	304.145576	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H"	1.007276
"138982"	304.145576	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+2H"	2.014552
"579273"	455.714726	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+2H"	2.014552
"1050623"	152.576426	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2H"	2.014552
"218531"	203.099476	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+3H"	3.021828
"658820"	304.145576	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+3H"	3.021828
"1178002"	102.053376	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+3H"	3.021828
"438392"	624.310423	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+NH4"	18.033823
"798290"	927.448723	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+NH4"	18.033823
"1695357"	321.172123	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+NH4"	18.033823
"345012"	312.6588495	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+H+NH4"	19.041099
"735330"	464.2279995	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+H+NH4"	19.041099
"1484778"	161.0896995	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H+NH4"	19.041099
"399082"	629.265818	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+Na"	22.989218
"763358"	932.404118	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+Na"	22.989218
"1616562"	326.127518	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Na"	22.989218
"326600"	315.136547	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+H+Na"	23.996494
"717199"	466.705697	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+H+Na"	23.996494
"1473568"	163.567397	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H+Na"	23.996494
"1066445"	109.38069	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2H+Na"	25.00377
"1269943"	336.171786	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+CH3OH+H"	33.033486
"391435"	645.239758	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+K"	38.963158
"749511"	948.378058	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+K"	38.963158
"1548645"	342.101458	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+K"	38.963158
"306915"	323.123517	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+H+K"	39.970434
"696057"	474.692667	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+H+K"	39.970434
"1448780"	171.554367	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H+K"	39.970434
"239567"	648.310426	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+ACN+H"	42.033826
"1212274"	345.172126	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+ACN+H"	42.033826
"1194495"	173.089701	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+ACN+2H"	43.041102
"203954"	651.24776	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+2Na-H"	44.97116
"640269"	954.38606	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+2Na-H"	44.97116
"1144507"	348.10946	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2Na-H"	44.97116
"183066"	326.127518	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+2Na"	45.978436
"626999"	477.696668	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+2Na"	45.978436
"1131294"	174.558368	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2Na"	45.978436
"1413920"	116.708004	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H+2Na"	46.985712
"1445583"	350.151046	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H+HCOOH"	47.012746
"235110"	331.16054	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+3H2O+2H"	56.04448
"1524084"	364.20309	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+IsoProp+H"	61.06479
"423473"	334.114488	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+Na+K"	61.952376
"784236"	485.683638	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+Na+K"	61.952376
"1679835"	182.545338	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Na+K"	61.952376
"265990"	670.292368	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+ACN+Na"	64.015768
"1240521"	367.154068	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+ACN+Na"	64.015768
"1728078"	367.177593	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+NH4+HCOOH"	64.039293
"1193955"	124.035318	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+3Na"	68.967654
"1665024"	372.132988	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Na+HCOOH"	68.994688
"171885"	683.19564	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+2K-H"	76.91904
"611933"	986.33394	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+2K-H"	76.91904
"1099653"	380.05734	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2K-H"	76.91904
"147669"	342.101458	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"2M+2K"	77.926316
"588320"	493.670608	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"3M+2K"	77.926316
"1081584"	190.532308	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2K"	77.926316
"1115533"	382.071892	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2K+H"	78.933592
"1341335"	382.159507	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+DMSO+H"	79.021207
"1014238"	386.198676	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2ACN+H"	83.060376
"1536739"	387.192308	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+IsoProp+Na+H"	84.054008
"997717"	193.602976	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+2ACN+2H"	84.067652
"1595499"	388.106928	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+K+HCOOH"	84.968628
"1422257"	418.138438	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+H+CF3COOH"	115.000138
"1154730"	214.116251	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+3ACN+2H"	125.094202
"1705376"	435.164985	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+NH4+CF3COOH"	132.026685
"1642120"	440.12038	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+Na+CF3COOH"	136.98208
"1583237"	456.09432	"C13826"	"Retigabine;D-23129;N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester"	"C16H18FN3O2"	"303.1383"	"M+K+CF3COOH"	152.95602
"813609"	117.9144	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M"	0
"987506"	98.89601	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-H2O-H"	-19.01839
"76114"	77.602324	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M-3H"	-3.021828
"512756"	116.907124	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M-3H"	-3.021828
"890558"	38.297524	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-3H"	-3.021828
"10226"	116.907124	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M-2H"	-2.014552
"455263"	175.864324	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M-2H"	-2.014552
"831603"	57.949924	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-2H"	-2.014552
"90865"	234.821524	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M-H"	-1.007276
"532611"	352.735924	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M-H"	-1.007276
"910779"	116.907124	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-H"	-1.007276
"60414"	251.848071	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M-2H+NH4"	16.019271
"495601"	369.762471	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M-2H+NH4"	16.019271
"873402"	133.933671	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-2H+NH4"	16.019271
"35835"	256.803466	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M-2H+Na"	20.974666
"481961"	374.717866	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M-2H+Na"	20.974666
"855388"	138.889066	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-2H+Na"	20.974666
"1633843"	138.889066	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Na-2H"	20.974666
"106927"	134.895463	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M-H+Cl"	33.962126
"549486"	193.852663	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M-H+Cl"	33.962126
"942705"	75.938263	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-H+Cl"	33.962126
"279655"	270.798202	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+Cl"	34.969402
"675235"	388.712602	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+Cl"	34.969402
"1285574"	152.883802	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Cl"	34.969402
"30196"	272.777406	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M-2H+K"	36.948606
"467688"	390.691806	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M-2H+K"	36.948606
"843301"	154.863006	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-2H+K"	36.948606
"1562421"	154.863006	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+K-2H"	36.948606
"954314"	162.912594	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-H+HCOOH"	44.998194
"371801"	280.827001	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+HCOOH-H"	44.998201
"354592"	294.842651	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+Hac-H"	59.013851
"1502331"	176.928251	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Hac-H"	59.013851
"968413"	184.894551	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-H+NaCOOH"	66.980151
"123151"	152.883802	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+2Cl"	69.938804
"561619"	211.841002	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+2Cl"	69.938804
"1028233"	93.926602	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2Cl"	69.938804
"1253279"	196.833285	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Br"	78.918885
"1311353"	198.889272	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Cl+HCOOH"	80.974872
"1325570"	220.871229	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Cl+NaCOOH"	102.956829
"925744"	230.899986	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M-H+CF3COOH"	112.985586
"1298447"	266.876664	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Cl+CF3COOH"	148.962264
"1375881"	82.901724	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H-2H2O"	-35.012676
"1394467"	100.9117	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H-H2O"	-17.0027
"294153"	236.836076	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+H"	1.007276
"687667"	354.750476	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+H"	1.007276
"1360734"	118.921676	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H"	1.007276
"139092"	118.921676	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+2H"	2.014552
"577561"	177.878876	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+2H"	2.014552
"1050732"	59.964476	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2H"	2.014552
"215361"	79.616876	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+3H"	3.021828
"656743"	118.921676	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+3H"	3.021828
"1177055"	40.312076	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+3H"	3.021828
"436314"	253.862623	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+NH4"	18.033823
"796213"	371.777023	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+NH4"	18.033823
"1695103"	135.948223	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+NH4"	18.033823
"343745"	127.4349495	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+H+NH4"	19.041099
"729973"	186.3921495	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+H+NH4"	19.041099
"1484159"	68.4777495	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H+NH4"	19.041099
"398099"	258.818018	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+Na"	22.989218
"759095"	376.732418	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+Na"	22.989218
"1613756"	140.903618	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Na"	22.989218
"325616"	129.912647	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+H+Na"	23.996494
"716944"	188.869847	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+H+Na"	23.996494
"1468941"	70.955447	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H+Na"	23.996494
"1064370"	47.63939	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2H+Na"	25.00377
"1269689"	150.947886	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+CH3OH+H"	33.033486
"390818"	274.791958	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+K"	38.963158
"749985"	392.706358	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+K"	38.963158
"1548755"	156.877558	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+K"	38.963158
"305932"	137.899617	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+H+K"	39.970434
"691789"	196.856817	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+H+K"	39.970434
"1447793"	78.942417	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H+K"	39.970434
"237850"	277.862626	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+ACN+H"	42.033826
"1214568"	159.948226	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+ACN+H"	42.033826
"1199544"	80.477751	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+ACN+2H"	43.041102
"196798"	280.79996	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+2Na-H"	44.97116
"635267"	398.71436	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+2Na-H"	44.97116
"1142430"	162.88556	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2Na-H"	44.97116
"183176"	140.903618	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+2Na"	45.978436
"628003"	199.860818	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+2Na"	45.978436
"1130617"	81.946418	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2Na"	45.978436
"1413375"	54.966704	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H+2Na"	46.985712
"1443701"	164.927146	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H+HCOOH"	47.012746
"232667"	145.93664	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+3H2O+2H"	56.04448
"1524141"	178.97919	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+IsoProp+H"	61.06479
"423340"	148.890588	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+Na+K"	61.952376
"785156"	207.847788	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+Na+K"	61.952376
"1680795"	89.933388	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Na+K"	61.952376
"266585"	299.844568	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+ACN+Na"	64.015768
"1240628"	181.930168	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+ACN+Na"	64.015768
"1727696"	181.953693	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+NH4+HCOOH"	64.039293
"1193169"	62.294018	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+3Na"	68.967654
"1665340"	186.909088	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Na+HCOOH"	68.994688
"172732"	312.74784	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+2K-H"	76.91904
"612799"	430.66224	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+2K-H"	76.91904
"1099719"	194.83344	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2K-H"	76.91904
"149966"	156.877558	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"2M+2K"	77.926316
"588431"	215.834758	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"3M+2K"	77.926316
"1078412"	97.920358	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2K"	77.926316
"1112717"	196.847992	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2K+H"	78.933592
"1341444"	196.935607	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+DMSO+H"	79.021207
"1017628"	200.974776	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2ACN+H"	83.060376
"1536849"	201.968408	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+IsoProp+Na+H"	84.054008
"998920"	100.991026	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+2ACN+2H"	84.067652
"1595609"	202.883028	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+K+HCOOH"	84.968628
"1424552"	232.914538	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+H+CF3COOH"	115.000138
"1153747"	121.504301	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+3ACN+2H"	125.094202
"1706580"	249.941085	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+NH4+CF3COOH"	132.026685
"1642230"	254.89648	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+Na+CF3COOH"	136.98208
"1583347"	270.87042	"C13827"	"Chloroform"	"CHCl3"	"117.9144"	"M+K+CF3COOH"	152.95602
"809344"	349.2981	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M"	0
"986156"	330.27971	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-H2O-H"	-19.01839
"76221"	231.858124	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M-3H"	-3.021828
"513959"	348.290824	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M-3H"	-3.021828
"894556"	115.425424	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-3H"	-3.021828
"12522"	348.290824	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M-2H"	-2.014552
"453186"	522.939874	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M-2H"	-2.014552
"831595"	173.641774	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-2H"	-2.014552
"90975"	697.588924	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M-H"	-1.007276
"532237"	1046.887024	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M-H"	-1.007276
"908826"	348.290824	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-H"	-1.007276
"61499"	714.615471	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M-2H+NH4"	16.019271
"499724"	1063.913571	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M-2H+NH4"	16.019271
"875698"	365.317371	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-2H+NH4"	16.019271
"34851"	719.570866	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M-2H+Na"	20.974666
"475140"	1068.868966	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M-2H+Na"	20.974666
"852217"	370.272766	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-2H+Na"	20.974666
"1631597"	370.272766	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Na-2H"	20.974666
"108130"	366.279163	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M-H+Cl"	33.962126
"547692"	540.928213	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M-H+Cl"	33.962126
"941691"	191.630113	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-H+Cl"	33.962126
"280491"	733.565602	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+Cl"	34.969402
"674367"	1082.863702	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+Cl"	34.969402
"1285681"	384.267502	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Cl"	34.969402
"30059"	735.544806	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M-2H+K"	36.948606
"469622"	1084.842906	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M-2H+K"	36.948606
"840131"	386.246706	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-2H+K"	36.948606
"1567638"	386.246706	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+K-2H"	36.948606
"953334"	394.296294	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-H+HCOOH"	44.998194
"373733"	743.594401	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+HCOOH-H"	44.998201
"356887"	757.610051	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+Hac-H"	59.013851
"1503534"	408.311951	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Hac-H"	59.013851
"967794"	416.278251	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-H+NaCOOH"	66.980151
"122896"	384.267502	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+2Cl"	69.938804
"560635"	558.916552	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+2Cl"	69.938804
"1030530"	209.618452	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2Cl"	69.938804
"1249014"	428.216985	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Br"	78.918885
"1311463"	430.272972	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Cl+HCOOH"	80.974872
"1323494"	452.254929	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Cl+NaCOOH"	102.956829
"923301"	462.283686	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M-H+CF3COOH"	112.985586
"1299648"	498.260364	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Cl+CF3COOH"	148.962264
"1377812"	314.285424	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H-2H2O"	-35.012676
"1394577"	332.2954	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H-H2O"	-17.0027
"294993"	699.603476	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+H"	1.007276
"687777"	1048.901576	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+H"	1.007276
"1358657"	350.305376	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H"	1.007276
"135922"	350.305376	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+2H"	2.014552
"574391"	524.954426	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+2H"	2.014552
"1047562"	175.656326	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2H"	2.014552
"218748"	233.872676	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+3H"	3.021828
"655028"	350.305376	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+3H"	3.021828
"1176070"	117.439976	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+3H"	3.021828
"432050"	716.630023	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+NH4"	18.033823
"797416"	1065.928123	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+NH4"	18.033823
"1695943"	367.331923	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+NH4"	18.033823
"344582"	358.8186495	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+H+NH4"	19.041099
"733362"	533.4676995	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+H+NH4"	19.041099
"1486089"	184.1695995	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H+NH4"	19.041099
"400397"	721.585418	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+Na"	22.989218
"760299"	1070.883518	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+Na"	22.989218
"1617637"	372.287318	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Na"	22.989218
"326456"	361.296347	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+H+Na"	23.996494
"716689"	535.945397	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+H+Na"	23.996494
"1472694"	186.647297	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H+Na"	23.996494
"1064481"	124.76729	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2H+Na"	25.00377
"1268340"	382.331586	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+CH3OH+H"	33.033486
"390562"	737.559358	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+K"	38.963158
"750095"	1086.857458	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+K"	38.963158
"1547772"	388.261258	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+K"	38.963158
"303855"	369.283317	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+H+K"	39.970434
"691733"	543.932367	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+H+K"	39.970434
"1445956"	194.634267	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H+K"	39.970434
"237594"	740.630026	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+ACN+H"	42.033826
"1211399"	391.331926	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+ACN+H"	42.033826
"1196374"	196.169601	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+ACN+2H"	43.041102
"194708"	743.56736	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+2Na-H"	44.97116
"635377"	1092.86546	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+2Na-H"	44.97116
"1145945"	394.26926	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2Na-H"	44.97116
"183286"	372.287318	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+2Na"	45.978436
"625034"	546.936368	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+2Na"	45.978436
"1129634"	197.638268	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2Na"	45.978436
"1413523"	132.094604	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H+2Na"	46.985712
"1441628"	396.310846	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H+HCOOH"	47.012746
"232416"	377.32034	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+3H2O+2H"	56.04448
"1523397"	410.36289	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+IsoProp+H"	61.06479
"423329"	380.274288	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+Na+K"	61.952376
"783725"	554.923338	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+Na+K"	61.952376
"1681110"	205.625238	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Na+K"	61.952376
"264749"	762.611968	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+ACN+Na"	64.015768
"1240009"	413.313868	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+ACN+Na"	64.015768
"1728423"	413.337393	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+NH4+HCOOH"	64.039293
"1190241"	139.421918	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+3Na"	68.967654
"1660862"	418.292788	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Na+HCOOH"	68.994688
"172107"	775.51524	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+2K-H"	76.91904
"612637"	1124.81334	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+2K-H"	76.91904
"1099773"	426.21714	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2K-H"	76.91904
"150078"	388.261258	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"2M+2K"	77.926316
"587449"	562.910308	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"3M+2K"	77.926316
"1078522"	213.612208	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2K"	77.926316
"1109546"	428.231692	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2K+H"	78.933592
"1341554"	428.319307	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+DMSO+H"	79.021207
"1015553"	432.358476	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2ACN+H"	83.060376
"1536958"	433.352108	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+IsoProp+Na+H"	84.054008
"999030"	216.682876	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+2ACN+2H"	84.067652
"1594629"	434.266728	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+K+HCOOH"	84.968628
"1425755"	464.298238	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+H+CF3COOH"	115.000138
"1153857"	237.196151	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+3ACN+2H"	125.094202
"1707783"	481.324785	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+NH4+CF3COOH"	132.026685
"1642340"	486.28018	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+Na+CF3COOH"	136.98208
"1583457"	502.25412	"C13828"	"81114-Eicosatrienoylethanolamide;N-(8Z11Z14Z-icosatrienoyl)-ethanolamide"	"C22H39NO2"	"349.2981"	"M+K+CF3COOH"	152.95602
"810547"	375.3137	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M"	0
"986266"	356.29531	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-H2O-H"	-19.01839
"75602"	249.201857333333	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M-3H"	-3.021828
"510789"	374.306424	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M-3H"	-3.021828
"891870"	124.097290666667	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-3H"	-3.021828
"11539"	374.306424	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M-2H"	-2.014552
"452197"	561.963274	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M-2H"	-2.014552
"831341"	186.649574	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-2H"	-2.014552
"90722"	749.620124	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M-H"	-1.007276
"531863"	1124.933824	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M-H"	-1.007276
"909907"	374.306424	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-H"	-1.007276
"60395"	766.646671	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M-2H+NH4"	16.019271
"500684"	1141.960371	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M-2H+NH4"	16.019271
"878483"	391.332971	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-2H+NH4"	16.019271
"34961"	771.602066	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M-2H+Na"	20.974666
"476343"	1146.915766	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M-2H+Na"	20.974666
"855606"	396.288366	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-2H+Na"	20.974666
"1632682"	396.288366	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Na-2H"	20.974666
"108240"	392.294763	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M-H+Cl"	33.962126
"548774"	579.951613	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M-H+Cl"	33.962126
"940950"	204.637913	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-H+Cl"	33.962126
"278773"	785.596802	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+Cl"	34.969402
"674966"	1160.910502	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+Cl"	34.969402
"1286399"	410.283102	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Cl"	34.969402
"28343"	787.576006	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M-2H+K"	36.948606
"465721"	1162.889706	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M-2H+K"	36.948606
"836961"	412.262306	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-2H+K"	36.948606
"1565925"	412.262306	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+K-2H"	36.948606
"950527"	420.311894	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-H+HCOOH"	44.998194
"369834"	795.625601	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+HCOOH-H"	44.998201
"349344"	809.641251	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+Hac-H"	59.013851
"1501456"	434.327551	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Hac-H"	59.013851
"963531"	442.293851	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-H+NaCOOH"	66.980151
"116812"	410.283102	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+2Cl"	69.938804
"556373"	597.939952	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+2Cl"	69.938804
"1026267"	222.626252	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2Cl"	69.938804
"1246938"	454.232585	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Br"	78.918885
"1309387"	456.288572	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Cl+HCOOH"	80.974872
"1322511"	478.270529	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Cl+NaCOOH"	102.956829
"920131"	488.299286	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M-H+CF3COOH"	112.985586
"1292471"	524.275964	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Cl+CF3COOH"	148.962264
"1377921"	340.301024	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H-2H2O"	-35.012676
"1390314"	358.311	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H-H2O"	-17.0027
"291822"	751.634676	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+H"	1.007276
"683513"	1126.948376	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+H"	1.007276
"1358767"	376.320976	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H"	1.007276
"128010"	376.320976	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+2H"	2.014552
"574137"	563.977826	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+2H"	2.014552
"1043299"	188.664126	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2H"	2.014552
"217766"	251.216409333333	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+3H"	3.021828
"654045"	376.320976	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+3H"	3.021828
"1176544"	126.111842666667	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+3H"	3.021828
"429974"	768.661223	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+NH4"	18.033823
"794247"	1143.974923	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+NH4"	18.033823
"1696175"	393.347523	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+NH4"	18.033823
"344815"	384.8342495	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+H+NH4"	19.041099
"735297"	572.4910995	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+H+NH4"	19.041099
"1489482"	197.1773995	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H+NH4"	19.041099
"400507"	773.616618	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+Na"	22.989218
"763690"	1148.930318	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+Na"	22.989218
"1617261"	398.302918	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Na"	22.989218
"326566"	387.311947	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+H+Na"	23.996494
"717893"	574.968797	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+H+Na"	23.996494
"1471712"	199.655097	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H+Na"	23.996494
"1065684"	133.439156666667	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2H+Na"	25.00377
"1269543"	408.347186	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+CH3OH+H"	33.033486
"390307"	789.590558	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+K"	38.963158
"750205"	1164.904258	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+K"	38.963158
"1547883"	414.276858	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+K"	38.963158
"303966"	395.298917	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+H+K"	39.970434
"696385"	582.955767	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+H+K"	39.970434
"1446070"	207.642067	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H+K"	39.970434
"236735"	792.661226	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+ACN+H"	42.033826
"1212603"	417.347526	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+ACN+H"	42.033826
"1196850"	209.177401	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+ACN+2H"	43.041102
"192635"	795.59856	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+2Na-H"	44.97116
"638767"	1170.91226	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+2Na-H"	44.97116
"1146057"	420.28486	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2Na-H"	44.97116
"183396"	398.302918	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+2Na"	45.978436
"623685"	585.959768	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+2Na"	45.978436
"1127557"	210.646068	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2Na"	45.978436
"1413390"	140.766470666667	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H+2Na"	46.985712
"1443560"	422.326446	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H+HCOOH"	47.012746
"232527"	403.33594	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+3H2O+2H"	56.04448
"1514388"	436.37849	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+IsoProp+H"	61.06479
"422096"	406.289888	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+Na+K"	61.952376
"783471"	593.946738	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+Na+K"	61.952376
"1680852"	218.633038	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Na+K"	61.952376
"264130"	814.643168	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+ACN+Na"	64.015768
"1239026"	439.329468	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+ACN+Na"	64.015768
"1727552"	439.352993	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+NH4+HCOOH"	64.039293
"1191444"	148.093784666667	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+3Na"	68.967654
"1661336"	444.308388	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Na+HCOOH"	68.994688
"172422"	827.54644	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+2K-H"	76.91904
"612344"	1202.86014	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+2K-H"	76.91904
"1099448"	452.23274	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2K-H"	76.91904
"152375"	414.276858	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"2M+2K"	77.926316
"587560"	601.933708	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"3M+2K"	77.926316
"1076447"	226.620008	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2K"	77.926316
"1108562"	454.247292	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2K+H"	78.933592
"1341664"	454.334907	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+DMSO+H"	79.021207
"1015663"	458.374076	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2ACN+H"	83.060376
"1534879"	459.367708	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+IsoProp+Na+H"	84.054008
"999142"	229.690676	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+2ACN+2H"	84.067652
"1595832"	460.282328	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+K+HCOOH"	84.968628
"1422585"	490.313838	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+H+CF3COOH"	115.000138
"1156154"	250.203951	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+3ACN+2H"	125.094202
"1704613"	507.340385	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+NH4+CF3COOH"	132.026685
"1642450"	512.29578	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+Na+CF3COOH"	136.98208
"1583567"	528.26972	"C13829"	"7101316-Docosatetraenoylethanolamine;N-(7Z10Z13Z16Z-docosatetraenoyl)-ethanolamide"	"C24H41NO2"	"375.3137"	"M+K+CF3COOH"	152.95602
"812844"	359.0336	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M"	0
"989911"	340.01521	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-H2O-H"	-19.01839
"77780"	238.348457333333	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M-3H"	-3.021828
"518475"	358.026324	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M-3H"	-3.021828
"895260"	118.670590666667	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-3H"	-3.021828
"15645"	358.026324	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M-2H"	-2.014552
"455305"	537.543124	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M-2H"	-2.014552
"832180"	178.509524	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-2H"	-2.014552
"92293"	717.059924	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M-H"	-1.007276
"533679"	1076.093524	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M-H"	-1.007276
"909653"	358.026324	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-H"	-1.007276
"61968"	734.086471	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M-2H+NH4"	16.019271
"501158"	1093.120071	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M-2H+NH4"	16.019271
"879083"	375.052871	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-2H+NH4"	16.019271
"36166"	739.041866	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M-2H+Na"	20.974666
"477912"	1098.075466	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M-2H+Na"	20.974666
"858996"	380.008266	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-2H+Na"	20.974666
"1627441"	380.008266	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Na-2H"	20.974666
"109568"	376.014663	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M-H+Cl"	33.962126
"549372"	555.531463	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M-H+Cl"	33.962126
"942159"	196.497863	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-H+Cl"	33.962126
"277790"	753.036602	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+Cl"	34.969402
"674589"	1112.070202	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+Cl"	34.969402
"1286994"	394.003002	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Cl"	34.969402
"28453"	755.015806	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M-2H+K"	36.948606
"466925"	1114.049406	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M-2H+K"	36.948606
"840351"	395.982206	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-2H+K"	36.948606
"1568588"	395.982206	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+K-2H"	36.948606
"956104"	404.031794	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-H+HCOOH"	44.998194
"368850"	763.065401	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+HCOOH-H"	44.998201
"353828"	777.081051	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+Hac-H"	59.013851
"1498286"	418.047451	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Hac-H"	59.013851
"970202"	426.013751	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-H+NaCOOH"	66.980151
"119108"	394.003002	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+2Cl"	69.938804
"563044"	573.519802	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+2Cl"	69.938804
"1027470"	214.486202	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2Cl"	69.938804
"1247049"	437.952485	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Br"	78.918885
"1308404"	440.008472	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Cl+HCOOH"	80.974872
"1326995"	461.990429	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Cl+NaCOOH"	102.956829
"923524"	472.019186	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M-H+CF3COOH"	112.985586
"1298047"	507.995864	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Cl+CF3COOH"	148.962264
"1378762"	324.020924	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H-2H2O"	-35.012676
"1394798"	342.0309	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H-H2O"	-17.0027
"293393"	719.074476	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+H"	1.007276
"685810"	1078.108076	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+H"	1.007276
"1363252"	360.040876	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H"	1.007276
"137232"	360.040876	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+2H"	2.014552
"578617"	539.557676	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+2H"	2.014552
"1047786"	180.524076	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2H"	2.014552
"216780"	240.363009333333	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+3H"	3.021828
"658529"	360.040876	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+3H"	3.021828
"1173371"	120.685142666667	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+3H"	3.021828
"436645"	736.101023	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+NH4"	18.033823
"794359"	1095.134623	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+NH4"	18.033823
"1692877"	377.067423	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+NH4"	18.033823
"338967"	368.5541495	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+H+NH4"	19.041099
"736499"	548.0709495	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+H+NH4"	19.041099
"1488499"	189.0373495	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H+NH4"	19.041099
"401712"	741.056418	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+Na"	22.989218
"768540"	1100.090018	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+Na"	22.989218
"1616639"	382.022818	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Na"	22.989218
"328498"	371.031847	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+H+Na"	23.996494
"721648"	550.548647	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+H+Na"	23.996494
"1476522"	191.515047	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H+Na"	23.996494
"1067858"	128.012456666667	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2H+Na"	25.00377
"1270748"	392.067086	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+CH3OH+H"	33.033486
"390415"	757.030358	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+K"	38.963158
"754087"	1116.063958	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+K"	38.963158
"1553461"	397.996758	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+K"	38.963158
"306265"	379.018817	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+H+K"	39.970434
"697591"	558.535617	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+H+K"	39.970434
"1450316"	199.502017	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H+K"	39.970434
"240009"	760.101026	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+ACN+H"	42.033826
"1210199"	401.067426	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+ACN+H"	42.033826
"1194773"	201.037351	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+ACN+2H"	43.041102
"189588"	763.03836	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+2Na-H"	44.97116
"641063"	1122.07196	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+2Na-H"	44.97116
"1145806"	404.00476	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2Na-H"	44.97116
"180226"	382.022818	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+2Na"	45.978436
"623067"	561.539618	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+2Na"	45.978436
"1126575"	202.506018	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2Na"	45.978436
"1410826"	135.339770666667	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H+2Na"	46.985712
"1444279"	406.046346	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H+HCOOH"	47.012746
"234948"	387.05584	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+3H2O+2H"	56.04448
"1517778"	420.09839	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+IsoProp+H"	61.06479
"422575"	390.009788	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+Na+K"	61.952376
"782481"	569.526588	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+Na+K"	61.952376
"1678083"	210.492988	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Na+K"	61.952376
"263515"	782.082968	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+ACN+Na"	64.015768
"1238044"	423.049368	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+ACN+Na"	64.015768
"1726200"	423.072893	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+NH4+HCOOH"	64.039293
"1193257"	142.667084666667	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+3Na"	68.967654
"1662176"	428.028288	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Na+HCOOH"	68.994688
"170503"	794.98624	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+2K-H"	76.91904
"612014"	1154.01984	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+2K-H"	76.91904
"1098583"	435.95264	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2K-H"	76.91904
"150298"	397.996758	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"2M+2K"	77.926316
"595693"	577.513558	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"3M+2K"	77.926316
"1082635"	218.479958	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2K"	77.926316
"1114267"	437.967192	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2K+H"	78.933592
"1345058"	438.054807	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+DMSO+H"	79.021207
"1014680"	442.093976	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2ACN+H"	83.060376
"1533896"	443.087608	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+IsoProp+Na+H"	84.054008
"997066"	221.550626	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+2ACN+2H"	84.067652
"1595942"	444.002228	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+K+HCOOH"	84.968628
"1422695"	474.033738	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+H+CF3COOH"	115.000138
"1156264"	242.063901	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+3ACN+2H"	125.094202
"1704723"	491.060285	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+NH4+CF3COOH"	132.026685
"1642560"	496.01568	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+Na+CF3COOH"	136.98208
"1577116"	511.98962	"C13830"	"BMS 204352;Flindokalner"	"C16H10ClF4NO2"	"359.0336"	"M+K+CF3COOH"	152.95602
"809674"	199.1936	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M"	0
"985394"	180.17521	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-H2O-H"	-19.01839
"72542"	131.788457333333	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M-3H"	-3.021828
"513195"	198.186324	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M-3H"	-3.021828
"888810"	65.3905906666667	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-3H"	-3.021828
"8479"	198.186324	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M-2H"	-2.014552
"453510"	297.783124	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M-2H"	-2.014552
"832682"	98.589524	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-2H"	-2.014552
"92400"	397.379924	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M-H"	-1.007276
"533663"	596.573524	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M-H"	-1.007276
"909762"	198.186324	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-H"	-1.007276
"61584"	414.406471	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M-2H+NH4"	16.019271
"502119"	613.600071	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M-2H+NH4"	16.019271
"878946"	215.212871	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-2H+NH4"	16.019271
"35183"	419.361866	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M-2H+Na"	20.974666
"478022"	618.555466	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M-2H+Na"	20.974666
"855826"	220.168266	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-2H+Na"	20.974666
"1627551"	220.168266	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Na-2H"	20.974666
"109393"	216.174663	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M-H+Cl"	33.962126
"549524"	315.771463	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M-H+Cl"	33.962126
"942267"	116.577863	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-H+Cl"	33.962126
"282203"	433.356602	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+Cl"	34.969402
"673979"	632.550202	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+Cl"	34.969402
"1286011"	234.163002	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Cl"	34.969402
"30394"	435.335806	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M-2H+K"	36.948606
"465942"	634.529406	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M-2H+K"	36.948606
"843741"	236.142206	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-2H+K"	36.948606
"1569427"	236.142206	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+K-2H"	36.948606
"956213"	244.191794	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-H+HCOOH"	44.998194
"373335"	443.385401	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+HCOOH-H"	44.998201
"353938"	457.401051	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+Hac-H"	59.013851
"1504963"	258.207451	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Hac-H"	59.013851
"971406"	266.173751	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-H+NaCOOH"	66.980151
"122501"	234.163002	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+2Cl"	69.938804
"562061"	333.759802	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+2Cl"	69.938804
"1027580"	134.566202	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2Cl"	69.938804
"1247159"	278.112485	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Br"	78.918885
"1309607"	280.168472	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Cl+HCOOH"	80.974872
"1324917"	302.150429	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Cl+NaCOOH"	102.956829
"921447"	312.179186	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M-H+CF3COOH"	112.985586
"1297793"	348.155864	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Cl+CF3COOH"	148.962264
"1378870"	164.180924	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H-2H2O"	-35.012676
"1394179"	182.1909	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H-H2O"	-17.0027
"293137"	399.394476	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+H"	1.007276
"684826"	598.588076	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+H"	1.007276
"1360081"	200.200876	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H"	1.007276
"137342"	200.200876	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+2H"	2.014552
"574717"	299.797676	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+2H"	2.014552
"1044617"	100.604076	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2H"	2.014552
"212516"	133.803009333333	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+3H"	3.021828
"650983"	200.200876	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+3H"	3.021828
"1169109"	67.4051426666667	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+3H"	3.021828
"431288"	416.421023	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+NH4"	18.033823
"792281"	615.614623	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+NH4"	18.033823
"1688611"	217.227423	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+NH4"	18.033823
"335797"	208.7141495	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+H+NH4"	19.041099
"734422"	308.3109495	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+H+NH4"	19.041099
"1487514"	109.1173495	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H+NH4"	19.041099
"405831"	421.376418	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+Na"	22.989218
"766095"	620.570018	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+Na"	22.989218
"1616378"	222.182818	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Na"	22.989218
"327507"	211.191847	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+H+Na"	23.996494
"721028"	310.788647	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+H+Na"	23.996494
"1475572"	111.595047	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H+Na"	23.996494
"1066267"	74.7324566666667	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2H+Na"	25.00377
"1270494"	232.227086	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+CH3OH+H"	33.033486
"391987"	437.350358	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+K"	38.963158
"754074"	636.543958	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+K"	38.963158
"1550291"	238.156758	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+K"	38.963158
"306375"	219.178817	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+H+K"	39.970434
"694421"	318.775617	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+H+K"	39.970434
"1449332"	119.582017	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H+K"	39.970434
"239025"	440.421026	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+ACN+H"	42.033826
"1210029"	241.227426	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+ACN+H"	42.033826
"1194998"	121.117351	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+ACN+2H"	43.041102
"188715"	443.35836	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+2Na-H"	44.97116
"638987"	642.55196	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+2Na-H"	44.97116
"1145788"	244.16476	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2Na-H"	44.97116
"179243"	222.182818	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+2Na"	45.978436
"623176"	321.779618	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+2Na"	45.978436
"1129234"	122.586018	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2Na"	45.978436
"1413121"	82.0597706666667	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H+2Na"	46.985712
"1443777"	246.206346	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H+HCOOH"	47.012746
"234932"	227.21584	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+3H2O+2H"	56.04448
"1518981"	260.25839	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+IsoProp+H"	61.06479
"421957"	230.169788	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+Na+K"	61.952376
"781861"	329.766588	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+Na+K"	61.952376
"1677827"	130.572988	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Na+K"	61.952376
"259981"	462.402968	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+ACN+Na"	64.015768
"1237062"	263.209368	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+ACN+Na"	64.015768
"1723027"	263.232893	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+NH4+HCOOH"	64.039293
"1190936"	89.3870846666667	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+3Na"	68.967654
"1662650"	268.188288	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Na+HCOOH"	68.994688
"170612"	475.30624	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+2K-H"	76.91904
"612241"	674.49984	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+2K-H"	76.91904
"1097841"	276.11264	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2K-H"	76.91904
"152595"	238.156758	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"2M+2K"	77.926316
"593249"	337.753558	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"3M+2K"	77.926316
"1083235"	138.559958	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2K"	77.926316
"1113157"	278.127192	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2K+H"	78.933592
"1344073"	278.214807	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+DMSO+H"	79.021207
"1008592"	282.253976	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2ACN+H"	83.060376
"1534006"	283.247608	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+IsoProp+Na+H"	84.054008
"994989"	141.630626	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+2ACN+2H"	84.067652
"1596052"	284.162228	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+K+HCOOH"	84.968628
"1419525"	314.193738	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+H+CF3COOH"	115.000138
"1155280"	162.143901	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+3ACN+2H"	125.094202
"1707020"	331.220285	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+NH4+CF3COOH"	132.026685
"1642670"	336.17568	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+Na+CF3COOH"	136.98208
"1577226"	352.14962	"C13831"	"Dodecanamide"	"C12H25NO"	"199.1936"	"M+K+CF3COOH"	152.95602
"815249"	259.23	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M"	0
"986963"	240.21161	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-H2O-H"	-19.01839
"72652"	171.812724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M-3H"	-3.021828
"514398"	258.222724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M-3H"	-3.021828
"893296"	85.402724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-3H"	-3.021828
"10776"	258.222724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M-2H"	-2.014552
"453620"	387.837724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M-2H"	-2.014552
"831423"	128.607724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-2H"	-2.014552
"89231"	517.452724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M-H"	-1.007276
"532074"	776.682724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M-H"	-1.007276
"908779"	258.222724	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-H"	-1.007276
"59871"	534.479271	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M-2H+NH4"	16.019271
"498343"	793.709271	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M-2H+NH4"	16.019271
"877963"	275.249271	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-2H+NH4"	16.019271
"40761"	539.434666	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M-2H+Na"	20.974666
"478497"	798.664666	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M-2H+Na"	20.974666
"859217"	280.204666	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-2H+Na"	20.974666
"1625475"	280.204666	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Na-2H"	20.974666
"108571"	276.211063	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M-H+Cl"	33.962126
"549717"	405.826063	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M-H+Cl"	33.962126
"942541"	146.596063	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-H+Cl"	33.962126
"282027"	553.429402	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+Cl"	34.969402
"673713"	812.659402	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+Cl"	34.969402
"1285022"	294.199402	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Cl"	34.969402
"29777"	555.408606	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M-2H+K"	36.948606
"470793"	814.638606	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M-2H+K"	36.948606
"844948"	296.178606	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-2H+K"	36.948606
"1570630"	296.178606	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+K-2H"	36.948606
"957297"	304.228194	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-H+HCOOH"	44.998194
"373445"	563.458201	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+HCOOH-H"	44.998201
"354048"	577.473851	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+Hac-H"	59.013851
"1506165"	318.243851	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Hac-H"	59.013851
"971516"	326.210151	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-H+NaCOOH"	66.980151
"123704"	294.199402	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+2Cl"	69.938804
"562171"	423.814402	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+2Cl"	69.938804
"1029877"	164.584402	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2Cl"	69.938804
"1246539"	338.148885	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Br"	78.918885
"1308988"	340.204872	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Cl+HCOOH"	80.974872
"1326120"	362.186829	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Cl+NaCOOH"	102.956829
"921557"	372.215586	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M-H+CF3COOH"	112.985586
"1300089"	408.192264	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Cl+CF3COOH"	148.962264
"1378980"	224.217324	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H-2H2O"	-35.012676
"1390645"	242.2273	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H-H2O"	-17.0027
"291424"	519.467276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+H"	1.007276
"686394"	778.697276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+H"	1.007276
"1361284"	260.237276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H"	1.007276
"135266"	260.237276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+2H"	2.014552
"575556"	389.852276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+2H"	2.014552
"1044726"	130.622276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2H"	2.014552
"212626"	173.827276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+3H"	3.021828
"651092"	260.237276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+3H"	3.021828
"1172133"	87.417276	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+3H"	3.021828
"431398"	536.493823	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+NH4"	18.033823
"794577"	795.723823	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+NH4"	18.033823
"1690907"	277.263823	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+NH4"	18.033823
"339187"	268.7505495	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+H+NH4"	19.041099
"735625"	398.3655495	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+H+NH4"	19.041099
"1488353"	139.1355495	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H+NH4"	19.041099
"404119"	541.449218	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+Na"	22.989218
"766205"	800.679218	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+Na"	22.989218
"1615395"	282.219218	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Na"	22.989218
"326524"	271.228247	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+H+Na"	23.996494
"720897"	400.843247	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+H+Na"	23.996494
"1474224"	141.613247	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H+Na"	23.996494
"1066377"	94.74459	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2H+Na"	25.00377
"1268053"	292.263486	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+CH3OH+H"	33.033486
"388449"	557.423158	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+K"	38.963158
"750171"	816.653158	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+K"	38.963158
"1547120"	298.193158	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+K"	38.963158
"303203"	279.215217	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+H+K"	39.970434
"696717"	408.830217	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+H+K"	39.970434
"1450535"	149.600217	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H+K"	39.970434
"239136"	560.493826	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+ACN+H"	42.033826
"1211842"	301.263826	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+ACN+H"	42.033826
"1194214"	151.135551	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+ACN+2H"	43.041102
"189073"	563.43116	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+2Na-H"	44.97116
"636912"	822.66116	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+2Na-H"	44.97116
"1145294"	304.20116	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2Na-H"	44.97116
"186997"	282.219218	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+2Na"	45.978436
"621100"	411.834218	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+2Na"	45.978436
"1127522"	152.604218	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2Na"	45.978436
"1412138"	102.071904	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H+2Na"	46.985712
"1443524"	306.242746	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H+HCOOH"	47.012746
"234315"	287.25224	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+3H2O+2H"	56.04448
"1520184"	320.29479	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+IsoProp+H"	61.06479
"422431"	290.206188	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+Na+K"	61.952376
"781606"	419.821188	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+Na+K"	61.952376
"1676113"	160.591188	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Na+K"	61.952376
"262639"	582.475768	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+ACN+Na"	64.015768
"1237171"	323.245768	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+ACN+Na"	64.015768
"1720950"	323.269293	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+NH4+HCOOH"	64.039293
"1191413"	109.399218	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+3Na"	68.967654
"1663490"	328.224688	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Na+HCOOH"	68.994688
"166348"	595.37904	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+2K-H"	76.91904
"610282"	854.60904	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+2K-H"	76.91904
"1097951"	336.14904	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2K-H"	76.91904
"146143"	298.193158	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"2M+2K"	77.926316
"591172"	427.808158	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"3M+2K"	77.926316
"1083588"	168.578158	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2K"	77.926316
"1113267"	338.163592	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2K+H"	78.933592
"1337984"	338.251207	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+DMSO+H"	79.021207
"1010526"	342.290376	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2ACN+H"	83.060376
"1530838"	343.284008	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+IsoProp+Na+H"	84.054008
"995100"	171.648826	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+2ACN+2H"	84.067652
"1593976"	344.198628	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+K+HCOOH"	84.968628
"1426196"	374.230138	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+H+CF3COOH"	115.000138
"1154297"	192.162101	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+3ACN+2H"	125.094202
"1711140"	391.256685	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+NH4+CF3COOH"	132.026685
"1648977"	396.21208	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+Na+CF3COOH"	136.98208
"1583897"	412.18602	"C13832"	"4Z7Z10Z-Octadecatrienenitrile"	"C18H29N"	"259.23"	"M+K+CF3COOH"	152.95602
"813173"	362.049	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M"	0
"981237"	343.03061	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-H2O-H"	-19.01839
"72760"	240.358724	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M-3H"	-3.021828
"511227"	361.041724	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M-3H"	-3.021828
"889032"	119.675724	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-3H"	-3.021828
"7606"	361.041724	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M-2H"	-2.014552
"453730"	542.066224	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M-2H"	-2.014552
"831170"	180.017224	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-2H"	-2.014552
"91407"	723.090724	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M-H"	-1.007276
"532063"	1085.139724	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M-H"	-1.007276
"907796"	361.041724	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-H"	-1.007276
"58888"	740.117271	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M-2H+NH4"	16.019271
"499544"	1102.166271	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M-2H+NH4"	16.019271
"876252"	378.068271	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-2H+NH4"	16.019271
"40871"	745.072666	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M-2H+Na"	20.974666
"476055"	1107.121666	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M-2H+Na"	20.974666
"851305"	383.023666	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-2H+Na"	20.974666
"1619743"	383.023666	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Na-2H"	20.974666
"96635"	379.030063	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M-H+Cl"	33.962126
"543861"	560.054563	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M-H+Cl"	33.962126
"930812"	198.005563	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-H+Cl"	33.962126
"271556"	759.067402	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+Cl"	34.969402
"664339"	1121.116402	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+Cl"	34.969402
"1285132"	397.018402	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Cl"	34.969402
"25503"	761.046606	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M-2H+K"	36.948606
"471152"	1123.095606	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M-2H+K"	36.948606
"846154"	398.997606	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-2H+K"	36.948606
"1570700"	398.997606	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+K-2H"	36.948606
"955342"	407.047194	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-H+HCOOH"	44.998194
"375625"	769.096201	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+HCOOH-H"	44.998201
"361087"	783.111851	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+Hac-H"	59.013851
"1506273"	421.062851	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Hac-H"	59.013851
"973452"	429.029151	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-H+NaCOOH"	66.980151
"125477"	397.018402	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+2Cl"	69.938804
"565197"	578.042902	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+2Cl"	69.938804
"1032175"	215.993902	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2Cl"	69.938804
"1246285"	440.967885	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Br"	78.918885
"1314203"	443.023872	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Cl+HCOOH"	80.974872
"1326232"	465.005829	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Cl+NaCOOH"	102.956829
"923855"	475.034586	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M-H+CF3COOH"	112.985586
"1298379"	511.011264	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Cl+CF3COOH"	148.962264
"1377633"	327.036324	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H-2H2O"	-35.012676
"1394764"	345.0463	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H-H2O"	-17.0027
"292627"	725.105276	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+H"	1.007276
"688326"	1087.154276	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+H"	1.007276
"1361394"	363.056276	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H"	1.007276
"136469"	363.056276	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+2H"	2.014552
"577123"	544.080776	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+2H"	2.014552
"1043743"	182.031776	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2H"	2.014552
"212736"	242.373276	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+3H"	3.021828
"650109"	363.056276	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+3H"	3.021828
"1172607"	121.690276	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+3H"	3.021828
"431508"	742.131823	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+NH4"	18.033823
"794687"	1104.180823	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+NH4"	18.033823
"1689924"	380.082823	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+NH4"	18.033823
"340390"	371.5695495	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+H+NH4"	19.041099
"731362"	552.5940495	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+H+NH4"	19.041099
"1485183"	190.5450495	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H+NH4"	19.041099
"400949"	747.087218	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+Na"	22.989218
"759757"	1109.136218	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+Na"	22.989218
"1611133"	385.038218	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Na"	22.989218
"325177"	374.047247	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+H+Na"	23.996494
"719060"	555.071747	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+H+Na"	23.996494
"1473970"	193.022747	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H+Na"	23.996494
"1064299"	129.01759	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2H+Na"	25.00377
"1266704"	395.082486	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+CH3OH+H"	33.033486
"383088"	763.061158	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+K"	38.963158
"742987"	1125.110158	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+K"	38.963158
"1541762"	401.012158	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+K"	38.963158
"302215"	382.034217	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+H+K"	39.970434
"694999"	563.058717	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+H+K"	39.970434
"1446145"	201.009717	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H+K"	39.970434
"236322"	766.131826	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+ACN+H"	42.033826
"1210488"	404.082826	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+ACN+H"	42.033826
"1195100"	202.545051	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+ACN+2H"	43.041102
"188944"	769.06916	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+2Na-H"	44.97116
"638115"	1131.11816	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+2Na-H"	44.97116
"1145038"	407.02016	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2Na-H"	44.97116
"183827"	385.038218	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+2Na"	45.978436
"618292"	566.062718	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+2Na"	45.978436
"1126900"	204.013718	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2Na"	45.978436
"1410423"	136.344904	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H+2Na"	46.985712
"1442538"	409.061746	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H+HCOOH"	47.012746
"233452"	390.07124	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+3H2O+2H"	56.04448
"1519201"	423.11379	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+IsoProp+H"	61.06479
"421075"	393.025188	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+Na+K"	61.952376
"782441"	574.049688	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+Na+K"	61.952376
"1677681"	212.000688	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Na+K"	61.952376
"261654"	788.113768	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+ACN+Na"	64.015768
"1237281"	426.064768	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+ACN+Na"	64.015768
"1722153"	426.088293	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+NH4+HCOOH"	64.039293
"1192250"	143.672218	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+3Na"	68.967654
"1663600"	431.043688	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Na+HCOOH"	68.994688
"167551"	801.01704	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+2K-H"	76.91904
"610392"	1163.06604	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+2K-H"	76.91904
"1095994"	438.96804	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2K-H"	76.91904
"147346"	401.012158	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"2M+2K"	77.926316
"593469"	582.036658	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"3M+2K"	77.926316
"1083941"	219.987658	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2K"	77.926316
"1113377"	440.982592	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2K+H"	78.933592
"1343200"	441.070207	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+DMSO+H"	79.021207
"1012822"	445.109376	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2ACN+H"	83.060376
"1530948"	446.103008	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+IsoProp+Na+H"	84.054008
"997397"	223.058326	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+2ACN+2H"	84.067652
"1595180"	447.017628	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+K+HCOOH"	84.968628
"1426308"	477.049138	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+H+CF3COOH"	115.000138
"1155500"	243.571601	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+3ACN+2H"	125.094202
"1712589"	494.075685	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+NH4+CF3COOH"	132.026685
"1648723"	499.03108	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+Na+CF3COOH"	136.98208
"1584007"	515.00502	"C13833"	"NS 1619"	"C15H8F6N2O2"	"362.049"	"M+K+CF3COOH"	152.95602
"814012"	184.2191	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M"	0
"981347"	165.20071	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-H2O-H"	-19.01839
"72870"	121.805457333333	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M-3H"	-3.021828
"511337"	183.211824	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M-3H"	-3.021828
"890235"	60.3990906666667	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-3H"	-3.021828
"9902"	183.211824	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M-2H"	-2.014552
"453840"	275.321374	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M-2H"	-2.014552
"831887"	91.102274	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-2H"	-2.014552
"91638"	367.430924	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M-H"	-1.007276
"532050"	551.650024	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M-H"	-1.007276
"908999"	183.211824	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-H"	-1.007276
"60091"	384.457471	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M-2H+NH4"	16.019271
"499654"	568.676571	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M-2H+NH4"	16.019271
"876361"	200.238371	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-2H+NH4"	16.019271
"40981"	389.412866	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M-2H+Na"	20.974666
"476165"	573.631966	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M-2H+Na"	20.974666
"851049"	205.193766	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-2H+Na"	20.974666
"1619853"	205.193766	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Na-2H"	20.974666
"96017"	201.200163	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M-H+Cl"	33.962126
"545064"	293.309713	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M-H+Cl"	33.962126
"933108"	109.090613	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-H+Cl"	33.962126
"273852"	403.407602	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+Cl"	34.969402
"664085"	587.626702	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+Cl"	34.969402
"1274664"	219.188502	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Cl"	34.969402
"25613"	405.386806	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M-2H+K"	36.948606
"468097"	589.605906	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M-2H+K"	36.948606
"844078"	221.167706	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-2H+K"	36.948606
"1570486"	221.167706	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+K-2H"	36.948606
"956180"	229.217294	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-H+HCOOH"	44.998194
"375856"	413.436401	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+HCOOH-H"	44.998201
"359014"	427.452051	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+Hac-H"	59.013851
"1506749"	243.232951	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Hac-H"	59.013851
"971013"	251.199251	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-H+NaCOOH"	66.980151
"125465"	219.188502	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+2Cl"	69.938804
"564578"	311.298052	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+2Cl"	69.938804
"1033378"	127.078952	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2Cl"	69.938804
"1248581"	263.137985	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Br"	78.918885
"1317593"	265.193972	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Cl+HCOOH"	80.974872
"1327435"	287.175929	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Cl+NaCOOH"	102.956829
"921780"	297.204686	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M-H+CF3COOH"	112.985586
"1296301"	333.181364	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Cl+CF3COOH"	148.962264
"1376651"	149.206424	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H-2H2O"	-35.012676
"1391957"	167.2164	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H-H2O"	-17.0027
"293466"	369.445476	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+H"	1.007276
"686248"	553.664576	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+H"	1.007276
"1361504"	185.226376	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H"	1.007276
"133299"	185.226376	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+2H"	2.014552
"577233"	277.335926	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+2H"	2.014552
"1046038"	93.116826	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2H"	2.014552
"213575"	123.820009333333	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+3H"	3.021828
"653496"	185.226376	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+3H"	3.021828
"1171622"	62.4136426666667	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+3H"	3.021828
"434898"	386.472023	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+NH4"	18.033823
"794797"	570.691123	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+NH4"	18.033823
"1687847"	202.252923	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+NH4"	18.033823
"341593"	193.7396495	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+H+NH4"	19.041099
"730745"	285.8491995	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+H+NH4"	19.041099
"1484566"	101.6300995	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H+NH4"	19.041099
"402153"	391.427418	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+Na"	22.989218
"763147"	575.646518	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+Na"	22.989218
"1610150"	207.208318	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Na"	22.989218
"325651"	196.217347	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+H+Na"	23.996494
"718078"	288.326897	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+H+Na"	23.996494
"1472261"	104.107797	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H+Na"	23.996494
"1064047"	69.7409566666667	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2H+Na"	25.00377
"1267909"	217.252586	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+CH3OH+H"	33.033486
"384291"	407.401358	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+K"	38.963158
"744190"	591.620458	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+K"	38.963158
"1543329"	223.182258	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+K"	38.963158
"302325"	204.204317	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+H+K"	39.970434
"695838"	296.313867	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+H+K"	39.970434
"1446378"	112.094767	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H+K"	39.970434
"237645"	410.472026	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+ACN+H"	42.033826
"1212057"	226.252926	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+ACN+H"	42.033826
"1196061"	113.630101	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+ACN+2H"	43.041102
"190750"	413.40936	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+2Na-H"	44.97116
"638222"	597.62846	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+2Na-H"	44.97116
"1145019"	229.19026	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2Na-H"	44.97116
"181748"	207.208318	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+2Na"	45.978436
"626664"	299.317868	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+2Na"	45.978436
"1129683"	115.098768	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2Na"	45.978436
"1411626"	77.0682706666667	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H+2Na"	46.985712
"1441191"	231.231846	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H+HCOOH"	47.012746
"230156"	212.24134	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+3H2O+2H"	56.04448
"1521497"	245.28389	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+IsoProp+H"	61.06479
"421185"	215.195288	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+Na+K"	61.952376
"779998"	307.304838	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+Na+K"	61.952376
"1677060"	123.085738	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Na+K"	61.952376
"259577"	432.453968	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+ACN+Na"	64.015768
"1238113"	248.234868	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+ACN+Na"	64.015768
"1724449"	248.258393	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+NH4+HCOOH"	64.039293
"1192482"	84.3955846666667	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+3Na"	68.967654
"1664074"	253.213788	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Na+HCOOH"	68.994688
"168754"	445.35724	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+2K-H"	76.91904
"610502"	629.57634	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+2K-H"	76.91904
"1097197"	261.13814	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2K-H"	76.91904
"149642"	223.182258	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"2M+2K"	77.926316
"594672"	315.291808	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"3M+2K"	77.926316
"1083685"	131.072708	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2K"	77.926316
"1113365"	263.152692	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2K+H"	78.933592
"1340030"	263.240307	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+DMSO+H"	79.021207
"1011840"	267.279476	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2ACN+H"	83.060376
"1531058"	268.273108	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+IsoProp+Na+H"	84.054008
"998601"	134.143376	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+2ACN+2H"	84.067652
"1595290"	269.187728	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+K+HCOOH"	84.968628
"1426418"	299.219238	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+H+CF3COOH"	115.000138
"1157797"	154.656651	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+3ACN+2H"	125.094202
"1712090"	316.245785	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+NH4+CF3COOH"	132.026685
"1649197"	321.20118	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+Na+CF3COOH"	136.98208
"1584117"	337.17512	"C13834"	"Tridecane"	"C13H28"	"184.2191"	"M+K+CF3COOH"	152.95602
"815579"	330.0383	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M"	0
"986924"	311.01991	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-H2O-H"	-19.01839
"72980"	219.018257333333	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M-3H"	-3.021828
"514729"	329.031024	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M-3H"	-3.021828
"890346"	109.005490666667	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-3H"	-3.021828
"10013"	329.031024	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M-2H"	-2.014552
"454438"	494.050174	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M-2H"	-2.014552
"827378"	164.011874	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-2H"	-2.014552
"93939"	659.069324	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M-H"	-1.007276
"533619"	989.107624	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M-H"	-1.007276
"910975"	329.031024	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-H"	-1.007276
"61294"	676.095871	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M-2H+NH4"	16.019271
"498671"	1006.134171	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M-2H+NH4"	16.019271
"877929"	346.057571	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-2H+NH4"	16.019271
"41091"	681.051266	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M-2H+Na"	20.974666
"476275"	1011.089566	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M-2H+Na"	20.974666
"850915"	351.012966	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-2H+Na"	20.974666
"1619597"	351.012966	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Na-2H"	20.974666
"95763"	347.019363	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M-H+Cl"	33.962126
"545174"	512.038513	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M-H+Cl"	33.962126
"934313"	182.000213	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-H+Cl"	33.962126
"272869"	695.046002	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+Cl"	34.969402
"668571"	1025.084302	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+Cl"	34.969402
"1279879"	365.007702	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Cl"	34.969402
"17695"	697.025206	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M-2H+K"	36.948606
"466378"	1027.063506	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M-2H+K"	36.948606
"840899"	366.986906	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-2H+K"	36.948606
"1569867"	366.986906	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+K-2H"	36.948606
"957875"	375.036494	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-H+HCOOH"	44.998194
"375241"	705.074801	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+HCOOH-H"	44.998201
"359852"	719.090451	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+Hac-H"	59.013851
"1506859"	389.052151	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Hac-H"	59.013851
"973309"	397.018451	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-H+NaCOOH"	66.980151
"125679"	365.007702	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+2Cl"	69.938804
"562501"	530.026852	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+2Cl"	69.938804
"1034581"	199.988552	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2Cl"	69.938804
"1249785"	408.957185	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Br"	78.918885
"1316609"	411.013172	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Cl+HCOOH"	80.974872
"1331921"	432.995129	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Cl+NaCOOH"	102.956829
"924075"	443.023886	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M-H+CF3COOH"	112.985586
"1298598"	479.000564	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Cl+CF3COOH"	148.962264
"1378946"	295.025624	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H-2H2O"	-35.012676
"1392067"	313.0356	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H-H2O"	-17.0027
"291754"	661.083876	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+H"	1.007276
"687453"	991.122176	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+H"	1.007276
"1363437"	331.045576	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H"	1.007276
"135596"	331.045576	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+2H"	2.014552
"576250"	496.064726	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+2H"	2.014552
"1046877"	166.026426	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2H"	2.014552
"214048"	221.032809333333	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+3H"	3.021828
"657615"	331.045576	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+3H"	3.021828
"1175743"	111.020042666667	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+3H"	3.021828
"435009"	678.110423	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+NH4"	18.033823
"796001"	1008.148723	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+NH4"	18.033823
"1691237"	348.072123	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+NH4"	18.033823
"339517"	339.5588495	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+H+NH4"	19.041099
"734500"	504.5779995	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+H+NH4"	19.041099
"1489050"	174.5396995	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H+NH4"	19.041099
"403355"	683.065818	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+Na"	22.989218
"765443"	1013.104118	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+Na"	22.989218
"1616454"	353.027518	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Na"	22.989218
"325761"	342.036547	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+H+Na"	23.996494
"720376"	507.055697	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+H+Na"	23.996494
"1474557"	177.017397	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H+Na"	23.996494
"1063063"	118.347356666667	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2H+Na"	25.00377
"1266924"	363.071786	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+CH3OH+H"	33.033486
"382215"	699.039758	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+K"	38.963158
"741385"	1029.078058	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+K"	38.963158
"1542346"	369.001458	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+K"	38.963158
"299640"	350.023517	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+H+K"	39.970434
"694857"	515.042667	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+H+K"	39.970434
"1446974"	185.004367	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H+K"	39.970434
"236182"	702.110426	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+ACN+H"	42.033826
"1212533"	372.072126	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+ACN+H"	42.033826
"1196050"	186.539701	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+ACN+2H"	43.041102
"189770"	705.04776	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+2Na-H"	44.97116
"636146"	1035.08606	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+2Na-H"	44.97116
"1145129"	375.00946	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2Na-H"	44.97116
"180764"	353.027518	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+2Na"	45.978436
"624707"	518.046668	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+2Na"	45.978436
"1130521"	188.008368	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2Na"	45.978436
"1411733"	125.674670666667	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H+2Na"	46.985712
"1444337"	377.051046	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H+HCOOH"	47.012746
"229168"	358.06054	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+3H2O+2H"	56.04448
"1517231"	391.10309	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+IsoProp+H"	61.06479
"420199"	361.014488	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+Na+K"	61.952376
"782289"	526.033638	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+Na+K"	61.952376
"1677530"	195.995338	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Na+K"	61.952376
"261872"	724.092368	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+ACN+Na"	64.015768
"1235671"	394.054068	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+ACN+Na"	64.015768
"1726624"	394.077593	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+NH4+HCOOH"	64.039293
"1185537"	133.001984666667	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+3Na"	68.967654
"1664916"	399.032988	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Na+HCOOH"	68.994688
"172267"	736.99564	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+2K-H"	76.91904
"612681"	1067.03394	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+2K-H"	76.91904
"1099814"	406.95734	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2K-H"	76.91904
"154126"	369.001458	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"2M+2K"	77.926316
"595509"	534.020608	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"3M+2K"	77.926316
"1083306"	203.982308	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2K"	77.926316
"1115508"	408.971892	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2K+H"	78.933592
"1346701"	409.059507	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+DMSO+H"	79.021207
"1014136"	413.098676	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2ACN+H"	83.060376
"1537728"	414.092308	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+IsoProp+Na+H"	84.054008
"1001991"	207.052976	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+2ACN+2H"	84.067652
"1599775"	415.006928	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+K+HCOOH"	84.968628
"1427257"	445.038438	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+H+CF3COOH"	115.000138
"1157907"	227.566251	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+3ACN+2H"	125.094202
"1712200"	462.064985	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+NH4+CF3COOH"	132.026685
"1648943"	467.02038	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+Na+CF3COOH"	136.98208
"1584227"	482.99432	"C13835"	"NS 1608"	"C14H10ClF3N2O2"	"330.0383"	"M+K+CF3COOH"	152.95602
"813505"	406.114	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M"	0
"989389"	387.09561	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-H2O-H"	-19.01839
"77466"	269.735390666667	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M-3H"	-3.021828
"515935"	405.106724	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M-3H"	-3.021828
"894714"	134.364057333333	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-3H"	-3.021828
"14499"	405.106724	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M-2H"	-2.014552
"455160"	608.163724	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M-2H"	-2.014552
"830768"	202.049724	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-2H"	-2.014552
"93967"	811.220724	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M-H"	-1.007276
"533769"	1217.334724	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M-H"	-1.007276
"910679"	405.106724	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-H"	-1.007276
"61405"	828.247271	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M-2H+NH4"	16.019271
"492584"	1234.361271	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M-2H+NH4"	16.019271
"873300"	422.133271	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-2H+NH4"	16.019271
"35731"	833.202666	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M-2H+Na"	20.974666
"473590"	1239.316666	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M-2H+Na"	20.974666
"850907"	427.088666	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-2H+Na"	20.974666
"1620800"	427.088666	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Na-2H"	20.974666
"95870"	423.095063	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M-H+Cl"	33.962126
"536527"	626.152063	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M-H+Cl"	33.962126
"936611"	220.038063	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-H+Cl"	33.962126
"275168"	847.197402	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+Cl"	34.969402
"666858"	1253.311402	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+Cl"	34.969402
"1279989"	441.083402	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Cl"	34.969402
"22547"	849.176606	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M-2H+K"	36.948606
"463203"	1255.290606	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M-2H+K"	36.948606
"837727"	443.062606	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-2H+K"	36.948606
"1569612"	443.062606	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+K-2H"	36.948606
"958109"	451.112194	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-H+HCOOH"	44.998194
"375352"	857.226201	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+HCOOH-H"	44.998201
"359114"	871.241851	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+Hac-H"	59.013851
"1504785"	465.127851	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Hac-H"	59.013851
"971963"	473.094151	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-H+NaCOOH"	66.980151
"124148"	441.083402	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+2Cl"	69.938804
"562611"	644.140402	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+2Cl"	69.938804
"1031411"	238.026402	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2Cl"	69.938804
"1253175"	485.032885	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Br"	78.918885
"1314532"	487.088872	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Cl+HCOOH"	80.974872
"1332760"	509.070829	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Cl+NaCOOH"	102.956829
"924185"	519.099586	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M-H+CF3COOH"	112.985586
"1298708"	555.076264	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Cl+CF3COOH"	148.962264
"1375777"	371.101324	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H-2H2O"	-35.012676
"1392178"	389.1113	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H-H2O"	-17.0027
"289678"	813.235276	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+H"	1.007276
"685377"	1219.349276	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+H"	1.007276
"1363549"	407.121276	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H"	1.007276
"135707"	407.121276	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+2H"	2.014552
"576361"	610.178276	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+2H"	2.014552
"1047353"	204.064276	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2H"	2.014552
"215983"	271.749942666667	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+3H"	3.021828
"657725"	407.121276	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+3H"	3.021828
"1177674"	136.378609333333	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+3H"	3.021828
"435121"	830.261823	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+NH4"	18.033823
"797204"	1236.375823	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+NH4"	18.033823
"1693540"	424.147823	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+NH4"	18.033823
"341816"	415.6345495	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+H+NH4"	19.041099
"734244"	618.6915495	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+H+NH4"	19.041099
"1489890"	212.5775495	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H+NH4"	19.041099
"400186"	835.217218	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+Na"	22.989218
"767744"	1241.331218	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+Na"	22.989218
"1617664"	429.103218	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Na"	22.989218
"329726"	418.112247	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+H+Na"	23.996494
"722553"	621.169247	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+H+Na"	23.996494
"1474303"	215.055247	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H+Na"	23.996494
"1065360"	143.705923333333	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2H+Na"	25.00377
"1267037"	439.147486	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+CH3OH+H"	33.033486
"390348"	851.191158	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+K"	38.963158
"748426"	1257.305158	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+K"	38.963158
"1548653"	445.077158	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+K"	38.963158
"308016"	426.099217	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+H+K"	39.970434
"697156"	629.156217	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+H+K"	39.970434
"1450977"	223.042217	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H+K"	39.970434
"239576"	854.261826	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+ACN+H"	42.033826
"1214469"	448.147826	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+ACN+H"	42.033826
"1198353"	224.577551	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+ACN+2H"	43.041102
"194500"	857.19916	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+2Na-H"	44.97116
"636259"	1263.31316	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+2Na-H"	44.97116
"1146810"	451.08516	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2Na-H"	44.97116
"184157"	429.103218	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+2Na"	45.978436
"627733"	632.160218	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+2Na"	45.978436
"1129053"	226.046218	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2Na"	45.978436
"1412575"	151.033237333333	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H+2Na"	46.985712
"1445572"	453.126746	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H+HCOOH"	47.012746
"231468"	434.13624	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+3H2O+2H"	56.04448
"1521718"	467.17879	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+IsoProp+H"	61.06479
"418123"	437.090188	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+Na+K"	61.952376
"782399"	640.147188	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+Na+K"	61.952376
"1676548"	234.033188	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Na+K"	61.952376
"263072"	876.243768	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+ACN+Na"	64.015768
"1237965"	470.129768	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+ACN+Na"	64.015768
"1720288"	470.153293	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+NH4+HCOOH"	64.039293
"1185643"	158.360551333333	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+3Na"	68.967654
"1664295"	475.108688	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Na+HCOOH"	68.994688
"171524"	889.14704	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+2K-H"	76.91904
"610716"	1295.26104	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+2K-H"	76.91904
"1099487"	483.03304	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2K-H"	76.91904
"149863"	445.077158	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"2M+2K"	77.926316
"594770"	648.134158	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"3M+2K"	77.926316
"1081469"	242.020158	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2K"	77.926316
"1112612"	485.047592	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2K+H"	78.933592
"1340252"	485.135207	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+DMSO+H"	79.021207
"1010968"	489.174376	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2ACN+H"	83.060376
"1533465"	490.168008	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+IsoProp+Na+H"	84.054008
"996634"	245.090826	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+2ACN+2H"	84.067652
"1595510"	491.082628	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+K+HCOOH"	84.968628
"1425544"	521.114138	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+H+CF3COOH"	115.000138
"1160204"	265.604101	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+3ACN+2H"	125.094202
"1710851"	538.140685	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+NH4+CF3COOH"	132.026685
"1648689"	543.09608	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+Na+CF3COOH"	136.98208
"1584337"	559.07002	"C13836"	"CGS 7181"	"C20H17F3N2O4"	"406.114"	"M+K+CF3COOH"	152.95602
"814706"	940.5032	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M"	0
"987144"	921.48481	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-H2O-H"	-19.01839
"75389"	625.994857333333	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M-3H"	-3.021828
"512764"	939.495924	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M-3H"	-3.021828
"890564"	312.493790666667	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-3H"	-3.021828
"13513"	939.495924	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M-2H"	-2.014552
"454170"	1409.747524	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M-2H"	-2.014552
"829785"	469.244324	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-2H"	-2.014552
"93670"	1879.999124	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M-H"	-1.007276
"531526"	2820.502324	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M-H"	-1.007276
"910667"	939.495924	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-H"	-1.007276
"60423"	1897.025671	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M-2H+NH4"	16.019271
"495610"	2837.528871	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M-2H+NH4"	16.019271
"871223"	956.522471	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-2H+NH4"	16.019271
"34383"	1901.981066	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M-2H+Na"	20.974666
"473215"	2842.484266	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M-2H+Na"	20.974666
"848860"	961.477866	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-2H+Na"	20.974666
"1618555"	961.477866	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Na-2H"	20.974666
"94436"	957.484263	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M-H+Cl"	33.962126
"534444"	1427.735863	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M-H+Cl"	33.962126
"935628"	487.232663	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-H+Cl"	33.962126
"275278"	1915.975802	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+Cl"	34.969402
"665510"	2856.479002	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+Cl"	34.969402
"1279006"	975.472602	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Cl"	34.969402
"21564"	1917.955006	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M-2H+K"	36.948606
"463313"	2858.458206	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M-2H+K"	36.948606
"837837"	977.451806	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-2H+K"	36.948606
"1568631"	977.451806	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+K-2H"	36.948606
"954688"	985.501394	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-H+HCOOH"	44.998194
"373997"	1926.004601	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+HCOOH-H"	44.998201
"357887"	1940.020251	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+Hac-H"	59.013851
"1507442"	999.517051	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Hac-H"	59.013851
"972065"	1007.483351	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-H+NaCOOH"	66.980151
"124253"	975.472602	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+2Cl"	69.938804
"563814"	1445.724202	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+2Cl"	69.938804
"1033705"	505.221002	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2Cl"	69.938804
"1256563"	1019.422085	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Br"	78.918885
"1315736"	1021.478072	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Cl+HCOOH"	80.974872
"1327765"	1043.460029	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Cl+NaCOOH"	102.956829
"917730"	1053.488786	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M-H+CF3COOH"	112.985586
"1297724"	1089.465464	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Cl+CF3COOH"	148.962264
"1376979"	905.490524	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H-2H2O"	-35.012676
"1392286"	923.5005	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H-H2O"	-17.0027
"290883"	1882.013676	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+H"	1.007276
"686582"	2822.516876	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+H"	1.007276
"1362201"	941.510476	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H"	1.007276
"136546"	941.510476	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+2H"	2.014552
"575378"	1411.762076	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+2H"	2.014552
"1046369"	471.258876	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2H"	2.014552
"215364"	628.009409333333	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+3H"	3.021828
"654920"	941.510476	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+3H"	3.021828
"1174869"	314.508342666667	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+3H"	3.021828
"434138"	1899.040223	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+NH4"	18.033823
"796221"	2839.543423	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+NH4"	18.033823
"1690371"	958.537023	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+NH4"	18.033823
"338647"	950.0237495	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+H+NH4"	19.041099
"734354"	1420.2753495	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+H+NH4"	19.041099
"1487085"	479.7721495	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H+NH4"	19.041099
"402484"	1903.995618	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+Na"	22.989218
"768581"	2844.498818	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+Na"	22.989218
"1617737"	963.492418	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Na"	22.989218
"329026"	952.501447	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+H+Na"	23.996494
"722053"	1422.753047	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+H+Na"	23.996494
"1476237"	482.249847	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H+Na"	23.996494
"1066566"	321.835656666667	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2H+Na"	25.00377
"1268240"	973.536686	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+CH3OH+H"	33.033486
"386814"	1919.969558	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+K"	38.963158
"747443"	2860.472758	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+K"	38.963158
"1547670"	979.466358	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+K"	38.963158
"309585"	960.488417	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+H+K"	39.970434
"697267"	1430.740017	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+H+K"	39.970434
"1453274"	490.236817	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H+K"	39.970434
"238593"	1923.040226	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+ACN+H"	42.033826
"1212393"	982.537026	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+ACN+H"	42.033826
"1198463"	491.772151	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+ACN+2H"	43.041102
"195703"	1925.97756	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+2Na-H"	44.97116
"635276"	2866.48076	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+2Na-H"	44.97116
"1146692"	985.47436	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2Na-H"	44.97116
"180986"	963.492418	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+2Na"	45.978436
"625656"	1433.744018	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+2Na"	45.978436
"1125152"	493.240818	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2Na"	45.978436
"1408674"	329.162970666667	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H+2Na"	46.985712
"1443707"	987.515946	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H+HCOOH"	47.012746
"230485"	968.52544	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+3H2O+2H"	56.04448
"1521828"	1001.56799	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+IsoProp+H"	61.06479
"418233"	971.479388	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+Na+K"	61.952376
"779229"	1441.730988	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+Na+K"	61.952376
"1676658"	501.227788	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Na+K"	61.952376
"259902"	1945.022168	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+ACN+Na"	64.015768
"1235889"	1004.518968	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+ACN+Na"	64.015768
"1720398"	1004.542493	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+NH4+HCOOH"	64.039293
"1184660"	336.490284666667	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+3Na"	68.967654
"1663311"	1009.497888	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Na+HCOOH"	68.994688
"171876"	1957.92544	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+2K-H"	76.91904
"609732"	2898.42864	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+2K-H"	76.91904
"1099231"	1017.42224	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2K-H"	76.91904
"151065"	979.466358	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"2M+2K"	77.926316
"595850"	1449.717958	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"3M+2K"	77.926316
"1082552"	509.214758	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2K"	77.926316
"1114545"	1019.436792	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2K+H"	78.933592
"1342548"	1019.524407	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+DMSO+H"	79.021207
"1012171"	1023.563576	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2ACN+H"	83.060376
"1532482"	1024.557208	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+IsoProp+Na+H"	84.054008
"998931"	512.285426	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+2ACN+2H"	84.067652
"1597808"	1025.471828	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+K+HCOOH"	84.968628
"1426747"	1055.503338	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+H+CF3COOH"	115.000138
"1157034"	532.798701	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+3ACN+2H"	125.094202
"1711690"	1072.529885	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+NH4+CF3COOH"	132.026685
"1648799"	1077.48528	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+Na+CF3COOH"	136.98208
"1584447"	1093.45922	"C13837"	"Dehydrosoyasaponin I;DHS-I"	"C48H76O18"	"940.5032"	"M+K+CF3COOH"	152.95602
"815545"	296.2715	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M"	0
"987254"	277.25311	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-H2O-H"	-19.01839
"75499"	196.507057333333	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M-3H"	-3.021828
"511780"	295.264224	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M-3H"	-3.021828
"890674"	97.7498906666667	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-3H"	-3.021828
"13381"	295.264224	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M-2H"	-2.014552
"452094"	443.399974	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M-2H"	-2.014552
"828802"	147.128474	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-2H"	-2.014552
"92076"	591.535724	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M-H"	-1.007276
"530543"	887.807224	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M-H"	-1.007276
"909805"	295.264224	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-H"	-1.007276
"60533"	608.562271	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M-2H+NH4"	16.019271
"496813"	904.833771	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M-2H+NH4"	16.019271
"871333"	312.290771	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-2H+NH4"	16.019271
"33764"	613.517666	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M-2H+Na"	20.974666
"473325"	909.789166	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M-2H+Na"	20.974666
"848729"	317.246166	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-2H+Na"	20.974666
"1618953"	317.246166	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Na-2H"	20.974666
"94997"	313.252563	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M-H+Cl"	33.962126
"534920"	461.388313	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M-H+Cl"	33.962126
"931358"	165.116813	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-H+Cl"	33.962126
"271010"	627.512402	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+Cl"	34.969402
"661247"	923.783902	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+Cl"	34.969402
"1274740"	331.240902	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Cl"	34.969402
"18391"	629.491606	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M-2H+K"	36.948606
"457954"	925.763106	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M-2H+K"	36.948606
"840134"	333.220106	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-2H+K"	36.948606
"1568012"	333.220106	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+K-2H"	36.948606
"952611"	341.269694	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-H+HCOOH"	44.998194
"374107"	637.541201	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+HCOOH-H"	44.998201
"356901"	651.556851	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+Hac-H"	59.013851
"1506701"	355.285351	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Hac-H"	59.013851
"967801"	363.251651	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-H+NaCOOH"	66.980151
"124363"	331.240902	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+2Cl"	69.938804
"561738"	479.376652	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+2Cl"	69.938804
"1032721"	183.105152	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2Cl"	69.938804
"1251206"	375.190385	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Br"	78.918885
"1316576"	377.246372	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Cl+HCOOH"	80.974872
"1330062"	399.228329	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Cl+NaCOOH"	102.956829
"918933"	409.257086	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M-H+CF3COOH"	112.985586
"1298562"	445.233764	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Cl+CF3COOH"	148.962264
"1377087"	261.258824	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H-2H2O"	-35.012676
"1391302"	279.2688	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H-H2O"	-17.0027
"293542"	593.550276	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+H"	1.007276
"685597"	889.821776	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+H"	1.007276
"1361945"	297.278776	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H"	1.007276
"135927"	297.278776	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+2H"	2.014552
"576581"	445.414526	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+2H"	2.014552
"1048298"	149.143026	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2H"	2.014552
"216564"	198.521609333333	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+3H"	3.021828
"656852"	297.278776	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+3H"	3.021828
"1177409"	99.7644426666667	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+3H"	3.021828
"434245"	610.576823	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+NH4"	18.033823
"798882"	906.848323	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+NH4"	18.033823
"1694119"	314.305323	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+NH4"	18.033823
"340940"	305.7920495	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+H+NH4"	19.041099
"735193"	453.9277995	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+H+NH4"	19.041099
"1490110"	157.6562995	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H+NH4"	19.041099
"406968"	615.532218	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+Na"	22.989218
"768934"	911.803718	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+Na"	22.989218
"1616059"	319.260718	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Na"	22.989218
"329011"	308.269747	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+H+Na"	23.996494
"720336"	456.405497	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+H+Na"	23.996494
"1475252"	160.133997	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H+Na"	23.996494
"1066308"	107.091756666667	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2H+Na"	25.00377
"1266890"	329.304986	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+CH3OH+H"	33.033486
"386557"	631.506158	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+K"	38.963158
"749008"	927.777658	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+K"	38.963158
"1551061"	335.234658	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+K"	38.963158
"307144"	316.256717	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+H+K"	39.970434
"697377"	464.392467	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+H+K"	39.970434
"1451197"	168.120967	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H+K"	39.970434
"240891"	634.576826	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+ACN+H"	42.033826
"1213598"	338.305326	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+ACN+H"	42.033826
"1197479"	169.656301	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+ACN+2H"	43.041102
"193628"	637.51416	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+2Na-H"	44.97116
"634293"	933.78566	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+2Na-H"	44.97116
"1146314"	341.24266	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2Na-H"	44.97116
"182189"	319.260718	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+2Na"	45.978436
"625038"	467.396468	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+2Na"	45.978436
"1124168"	171.124968	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2Na"	45.978436
"1408421"	114.419070666667	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H+2Na"	46.985712
"1439079"	343.284246	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H+HCOOH"	47.012746
"228044"	324.29374	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+3H2O+2H"	56.04448
"1519389"	357.33629	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+IsoProp+H"	61.06479
"418342"	327.247688	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+Na+K"	61.952376
"778243"	475.383438	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+Na+K"	61.952376
"1673480"	179.111938	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Na+K"	61.952376
"258914"	656.558768	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+ACN+Na"	64.015768
"1233812"	360.287268	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+ACN+Na"	64.015768
"1721237"	360.310793	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+NH4+HCOOH"	64.039293
"1183676"	121.746384666667	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+3Na"	68.967654
"1664514"	365.266188	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Na+HCOOH"	68.994688
"170282"	669.46204	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+2K-H"	76.91904
"610936"	965.73354	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+2K-H"	76.91904
"1099338"	373.19054	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2K-H"	76.91904
"153362"	335.234658	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"2M+2K"	77.926316
"596734"	483.370408	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"3M+2K"	77.926316
"1083960"	187.098908	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2K"	77.926316
"1114899"	375.205092	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2K+H"	78.933592
"1343752"	375.292707	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+DMSO+H"	79.021207
"1013373"	379.331876	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2ACN+H"	83.060376
"1533686"	380.325508	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+IsoProp+Na+H"	84.054008
"1002321"	190.169576	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+2ACN+2H"	84.067652
"1597919"	381.240128	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+K+HCOOH"	84.968628
"1425764"	411.271638	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+H+CF3COOH"	115.000138
"1158237"	210.682851	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+3ACN+2H"	125.094202
"1708884"	428.298185	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+NH4+CF3COOH"	132.026685
"1647816"	433.25358	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+Na+CF3COOH"	136.98208
"1584557"	449.22752	"C13838"	"Lactobacillic acid;11R12S-Methylene-octadecanoic acid"	"C19H36O2"	"296.2715"	"M+K+CF3COOH"	152.95602
"816384"	162.0793	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M"	0
"988093"	143.06091	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-H2O-H"	-19.01839
"75246"	107.045590666667	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M-3H"	-3.021828
"514077"	161.072024	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M-3H"	-3.021828
"891877"	53.0191573333333	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-3H"	-3.021828
"13734"	161.072024	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M-2H"	-2.014552
"450014"	242.111674	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M-2H"	-2.014552
"825630"	80.032374	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-2H"	-2.014552
"91825"	323.151324	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M-H"	-1.007276
"533574"	485.230624	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M-H"	-1.007276
"910888"	161.072024	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-H"	-1.007276
"61010"	340.177871	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M-2H+NH4"	16.019271
"496925"	502.257171	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M-2H+NH4"	16.019271
"873631"	178.098571	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-2H+NH4"	16.019271
"39344"	345.133266	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M-2H+Na"	20.974666
"475257"	507.212566	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M-2H+Na"	20.974666
"852330"	183.053966	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-2H+Na"	20.974666
"1618822"	183.053966	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Na-2H"	20.974666
"95224"	179.060363	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M-H+Cl"	33.962126
"535759"	260.100013	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M-H+Cl"	33.962126
"931468"	98.020713	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-H+Cl"	33.962126
"271120"	359.128002	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+Cl"	34.969402
"665732"	521.207302	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+Cl"	34.969402
"1280320"	197.048702	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Cl"	34.969402
"21782"	361.107206	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M-2H+K"	36.948606
"458064"	523.186506	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M-2H+K"	36.948606
"840244"	199.027906	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-2H+K"	36.948606
"1566664"	199.027906	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+K-2H"	36.948606
"951628"	207.077494	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-H+HCOOH"	44.998194
"372031"	369.156801	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+HCOOH-H"	44.998201
"356647"	383.172451	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+Hac-H"	59.013851
"1505839"	221.093151	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Hac-H"	59.013851
"969005"	229.059451	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-H+NaCOOH"	66.980151
"123380"	197.048702	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+2Cl"	69.938804
"561847"	278.088352	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+2Cl"	69.938804
"1033925"	116.009052	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2Cl"	69.938804
"1250223"	240.998185	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Br"	78.918885
"1314863"	243.054172	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Cl+HCOOH"	80.974872
"1331266"	265.036129	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Cl+NaCOOH"	102.956829
"919043"	275.064886	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M-H+CF3COOH"	112.985586
"1300126"	311.041564	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Cl+CF3COOH"	148.962264
"1378288"	127.066624	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H-2H2O"	-35.012676
"1389222"	145.0766	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H-H2O"	-17.0027
"292189"	325.165876	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+H"	1.007276
"684611"	487.245176	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+H"	1.007276
"1357678"	163.086576	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H"	1.007276
"136037"	163.086576	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+2H"	2.014552
"576691"	244.126226	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+2H"	2.014552
"1050232"	82.046926	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2H"	2.014552
"216674"	109.060142666667	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+3H"	3.021828
"656233"	163.086576	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+3H"	3.021828
"1177642"	55.0337093333333	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+3H"	3.021828
"436541"	342.192423	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+NH4"	18.033823
"799720"	504.271723	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+NH4"	18.033823
"1691680"	180.113123	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+NH4"	18.033823
"342143"	171.5998495	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+H+NH4"	19.041099
"737612"	252.6394995	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+H+NH4"	19.041099
"1491312"	90.5601995	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H+NH4"	19.041099
"408055"	347.147818	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+Na"	22.989218
"768682"	509.227118	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+Na"	22.989218
"1616169"	185.068518	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Na"	22.989218
"329121"	174.077547	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+H+Na"	23.996494
"720446"	255.117197	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+H+Na"	23.996494
"1475607"	93.037897	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H+Na"	23.996494
"1067270"	62.3610233333333	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2H+Na"	25.00377
"1268823"	195.112786	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+CH3OH+H"	33.033486
"385574"	363.121758	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+K"	38.963158
"749118"	525.201058	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+K"	38.963158
"1551171"	201.042458	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+K"	38.963158
"309442"	182.064517	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+H+K"	39.970434
"696394"	263.104167	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+H+K"	39.970434
"1453494"	101.024867	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H+K"	39.970434
"242094"	366.192426	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+ACN+H"	42.033826
"1213343"	204.113126	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+ACN+H"	42.033826
"1198319"	102.560201	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+ACN+2H"	43.041102
"197017"	369.12976	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+2Na-H"	44.97116
"634403"	531.20906	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+2Na-H"	44.97116
"1145088"	207.05046	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2Na-H"	44.97116
"182299"	185.068518	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+2Na"	45.978436
"621502"	266.108168	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+2Na"	45.978436
"1122089"	104.028868	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2Na"	45.978436
"1402696"	69.6883373333333	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H+2Na"	46.985712
"1433353"	209.092046	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H+HCOOH"	47.012746
"224140"	190.10154	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+3H2O+2H"	56.04448
"1520592"	223.14409	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+IsoProp+H"	61.06479
"416264"	193.055488	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+Na+K"	61.952376
"773982"	274.095138	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+Na+K"	61.952376
"1671405"	112.015838	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Na+K"	61.952376
"260122"	388.174368	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+ACN+Na"	64.015768
"1231735"	226.095068	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+ACN+Na"	64.015768
"1722445"	226.118593	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+NH4+HCOOH"	64.039293
"1185976"	77.0156513333333	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+3Na"	68.967654
"1661343"	231.073988	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Na+HCOOH"	68.994688
"170392"	401.07764	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+2K-H"	76.91904
"606672"	563.15694	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+2K-H"	76.91904
"1099533"	238.99834	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2K-H"	76.91904
"148005"	201.042458	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"2M+2K"	77.926316
"596436"	282.082108	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"3M+2K"	77.926316
"1083257"	120.002808	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2K"	77.926316
"1114401"	241.012892	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2K+H"	78.933592
"1344955"	241.100507	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+DMSO+H"	79.021207
"1013483"	245.139676	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2ACN+H"	83.060376
"1532702"	246.133308	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+IsoProp+Na+H"	84.054008
"1000243"	123.073476	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+2ACN+2H"	84.067652
"1599121"	247.047928	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+K+HCOOH"	84.968628
"1425874"	277.079438	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+H+CF3COOH"	115.000138
"1159441"	143.586751	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+3ACN+2H"	125.094202
"1710817"	294.105985	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+NH4+CF3COOH"	132.026685
"1648655"	299.06138	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+Na+CF3COOH"	136.98208
"1584667"	315.03532	"C13840"	"1-Ethyl-2-benzimidazolinone;1-EBIO"	"C9H10N2O"	"162.0793"	"M+K+CF3COOH"	152.95602
"816129"	168.009	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M"	0
"982007"	148.99061	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-H2O-H"	-19.01839
"77903"	110.998724	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M-3H"	-3.021828
"513094"	167.001724	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M-3H"	-3.021828
"894174"	54.995724	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-3H"	-3.021828
"13841"	167.001724	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M-2H"	-2.014552
"447938"	251.006224	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M-2H"	-2.014552
"829020"	82.997224	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-2H"	-2.014552
"86824"	335.010724	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M-H"	-1.007276
"532961"	503.019724	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M-H"	-1.007276
"910393"	167.001724	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-H"	-1.007276
"62213"	352.037271	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M-2H+NH4"	16.019271
"500561"	520.046271	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M-2H+NH4"	16.019271
"874834"	184.028271	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-2H+NH4"	16.019271
"40547"	356.992666	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M-2H+Na"	20.974666
"474638"	525.001666	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M-2H+Na"	20.974666
"852440"	188.983666	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-2H+Na"	20.974666
"1619541"	188.983666	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Na-2H"	20.974666
"95820"	184.990063	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M-H+Cl"	33.962126
"536597"	268.994563	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M-H+Cl"	33.962126
"930485"	100.985563	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-H+Cl"	33.962126
"272322"	370.987402	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+Cl"	34.969402
"663651"	538.996402	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+Cl"	34.969402
"1277150"	202.978402	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Cl"	34.969402
"17272"	372.966606	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M-2H+K"	36.948606
"457323"	540.975606	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M-2H+K"	36.948606
"838167"	204.957606	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-2H+K"	36.948606
"1567869"	204.957606	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+K-2H"	36.948606
"950645"	213.007194	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-H+HCOOH"	44.998194
"373599"	381.016201	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+HCOOH-H"	44.998201
"356392"	395.031851	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+Hac-H"	59.013851
"1502670"	227.022851	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Hac-H"	59.013851
"968022"	234.989151	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-H+NaCOOH"	66.980151
"119116"	202.978402	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+2Cl"	69.938804
"563414"	286.982902	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+2Cl"	69.938804
"1035127"	118.973902	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2Cl"	69.938804
"1251425"	246.927885	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Br"	78.918885
"1316066"	248.983872	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Cl+HCOOH"	80.974872
"1328096"	270.965829	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Cl+NaCOOH"	102.956829
"920246"	280.994586	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M-H+CF3COOH"	112.985586
"1299143"	316.971264	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Cl+CF3COOH"	148.962264
"1376211"	132.996324	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H-2H2O"	-35.012676
"1390425"	151.0063	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H-H2O"	-17.0027
"292299"	337.025276	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+H"	1.007276
"684721"	505.034276	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+H"	1.007276
"1357786"	169.016276	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H"	1.007276
"130680"	169.016276	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+2H"	2.014552
"570241"	253.020776	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+2H"	2.014552
"1045602"	85.011776	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2H"	2.014552
"215690"	113.013276	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+3H"	3.021828
"654156"	169.016276	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+3H"	3.021828
"1176655"	57.010276	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+3H"	3.021828
"438472"	354.051823	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+NH4"	18.033823
"799830"	522.060823	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+NH4"	18.033823
"1694705"	186.042823	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+NH4"	18.033823
"344076"	177.5295495	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+H+NH4"	19.041099
"737236"	261.5340495	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+H+NH4"	19.041099
"1491666"	93.5250495	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H+NH4"	19.041099
"407067"	359.007218	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+Na"	22.989218
"768913"	527.016218	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+Na"	22.989218
"1617496"	190.998218	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Na"	22.989218
"328621"	180.007247	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+H+Na"	23.996494
"721773"	264.011747	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+H+Na"	23.996494
"1476649"	96.002747	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H+Na"	23.996494
"1067743"	64.33759	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2H+Na"	25.00377
"1267473"	201.042486	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+CH3OH+H"	33.033486
"387141"	374.981158	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+K"	38.963158
"750323"	542.990158	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+K"	38.963158
"1549094"	206.972158	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+K"	38.963158
"311738"	187.994217	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+H+K"	39.970434
"698690"	271.998717	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+H+K"	39.970434
"1452510"	103.989717	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H+K"	39.970434
"244391"	378.051826	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+ACN+H"	42.033826
"1214181"	210.042826	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+ACN+H"	42.033826
"1204257"	105.525051	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+ACN+2H"	43.041102
"194943"	380.98916	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+2Na-H"	44.97116
"641073"	548.99816	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+2Na-H"	44.97116
"1144224"	212.98016	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2Na-H"	44.97116
"181316"	190.998218	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+2Na"	45.978436
"619789"	275.002718	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+2Na"	45.978436
"1122199"	106.993718	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2Na"	45.978436
"1403535"	71.664904	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H+2Na"	46.985712
"1435649"	215.021746	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H+HCOOH"	47.012746
"226436"	196.03124	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+3H2O+2H"	56.04448
"1515600"	229.07379	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+IsoProp+H"	61.06479
"416374"	198.985188	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+Na+K"	61.952376
"774456"	282.989688	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+Na+K"	61.952376
"1671514"	114.980688	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Na+K"	61.952376
"260956"	400.033768	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+ACN+Na"	64.015768
"1232938"	232.024768	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+ACN+Na"	64.015768
"1719638"	232.048293	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+NH4+HCOOH"	64.039293
"1186085"	78.992218	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+3Na"	68.967654
"1659267"	237.003688	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Na+HCOOH"	68.994688
"169409"	412.93704	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+2K-H"	76.91904
"606782"	580.94604	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+2K-H"	76.91904
"1096762"	244.92804	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2K-H"	76.91904
"148115"	206.972158	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"2M+2K"	77.926316
"594968"	290.976658	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"3M+2K"	77.926316
"1083732"	122.967658	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2K"	77.926316
"1113782"	246.942592	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2K+H"	78.933592
"1348345"	247.030207	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+DMSO+H"	79.021207
"1013594"	251.069376	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2ACN+H"	83.060376
"1532812"	252.063008	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+IsoProp+Na+H"	84.054008
"999260"	126.038326	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+2ACN+2H"	84.067652
"1597041"	252.977628	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+K+HCOOH"	84.968628
"1425984"	283.009138	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+H+CF3COOH"	115.000138
"1159551"	146.551601	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+3ACN+2H"	125.094202
"1711291"	300.035685	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+NH4+CF3COOH"	132.026685
"1649130"	304.99108	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+Na+CF3COOH"	136.98208
"1584777"	320.96502	"C13841"	"Zoxazolamine"	"C7H5ClN2O"	"168.009"	"M+K+CF3COOH"	152.95602
"816606"	1123.1585	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M"	0
"985397"	1104.14011	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-H2O-H"	-19.01839
"78561"	747.765057333333	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M-3H"	-3.021828
"514297"	1122.151224	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M-3H"	-3.021828
"895629"	373.378890666667	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-3H"	-3.021828
"13587"	1122.151224	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M-2H"	-2.014552
"446954"	1683.730474	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M-2H"	-2.014552
"828036"	560.571974	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-2H"	-2.014552
"88028"	2245.309724	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M-H"	-1.007276
"531966"	3368.468224	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M-H"	-1.007276
"911277"	1122.151224	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-H"	-1.007276
"62404"	2262.336271	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M-2H+NH4"	16.019271
"500424"	3385.494771	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M-2H+NH4"	16.019271
"874944"	1139.177771	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-2H+NH4"	16.019271
"38470"	2267.291666	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M-2H+Na"	20.974666
"474384"	3390.450166	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M-2H+Na"	20.974666
"852186"	1144.133166	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-2H+Na"	20.974666
"1619403"	1144.133166	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Na-2H"	20.974666
"95689"	1140.139563	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M-H+Cl"	33.962126
"536707"	1701.718813	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M-H+Cl"	33.962126
"928042"	578.560313	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-H+Cl"	33.962126
"269152"	2281.286402	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+Cl"	34.969402
"661327"	3404.444902	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+Cl"	34.969402
"1277260"	1158.127902	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Cl"	34.969402
"16773"	2283.265606	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M-2H+K"	36.948606
"458286"	3406.424106	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M-2H+K"	36.948606
"841555"	1160.107106	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-2H+K"	36.948606
"1569071"	1160.107106	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+K-2H"	36.948606
"954407"	1168.156694	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-H+HCOOH"	44.998194
"371165"	2291.315201	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+HCOOH-H"	44.998201
"357234"	2305.330851	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+Hac-H"	59.013851
"1504242"	1182.172351	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Hac-H"	59.013851
"969962"	1190.138651	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-H+NaCOOH"	66.980151
"122511"	1158.127902	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+2Cl"	69.938804
"561707"	1719.707152	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+2Cl"	69.938804
"1030869"	596.548652	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2Cl"	69.938804
"1251538"	1202.077385	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Br"	78.918885
"1315814"	1204.133372	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Cl+HCOOH"	80.974872
"1328572"	1226.115329	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Cl+NaCOOH"	102.956829
"922183"	1236.144086	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M-H+CF3COOH"	112.985586
"1298161"	1272.120764	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Cl+CF3COOH"	148.962264
"1375228"	1088.145824	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H-2H2O"	-35.012676
"1392363"	1106.1558	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H-H2O"	-17.0027
"290225"	2247.324276	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+H"	1.007276
"682645"	3370.482776	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+H"	1.007276
"1357901"	1124.165776	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H"	1.007276
"128605"	1124.165776	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+2H"	2.014552
"567798"	1685.745026	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+2H"	2.014552
"1041337"	562.586526	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2H"	2.014552
"211429"	749.779609333333	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+3H"	3.021828
"655361"	1124.165776	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+3H"	3.021828
"1175310"	375.393442666667	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+3H"	3.021828
"437490"	2264.350823	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+NH4"	18.033823
"796658"	3387.509323	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+NH4"	18.033823
"1693358"	1141.192323	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+NH4"	18.033823
"341270"	1132.6790495	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+H+NH4"	19.041099
"737709"	1694.2582995	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+H+NH4"	19.041099
"1492540"	571.0997995	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H+NH4"	19.041099
"408197"	2269.306218	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+Na"	22.989218
"769597"	3392.464718	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+Na"	22.989218
"1618129"	1146.147718	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Na"	22.989218
"328244"	1135.156747	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+H+Na"	23.996494
"721759"	1696.735997	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+H+Na"	23.996494
"1476675"	573.577497	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H+Na"	23.996494
"1067974"	382.720756666667	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2H+Na"	25.00377
"1266490"	1156.191986	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+CH3OH+H"	33.033486
"386158"	2285.280158	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+K"	38.963158
"749340"	3408.438658	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+K"	38.963158
"1549204"	1162.121658	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+K"	38.963158
"309662"	1143.143717	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+H+K"	39.970434
"698800"	1704.722967	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+H+K"	39.970434
"1451527"	581.564467	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H+K"	39.970434
"242315"	2288.350826	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+ACN+H"	42.033826
"1216112"	1165.192326	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+ACN+H"	42.033826
"1202181"	583.099801	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+ACN+2H"	43.041102
"199425"	2291.28816	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+2Na-H"	44.97116
"641183"	3414.44666	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+2Na-H"	44.97116
"1144336"	1168.12966	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2Na-H"	44.97116
"181426"	1146.147718	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+2Na"	45.978436
"623180"	1707.726968	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+2Na"	45.978436
"1122309"	584.568468	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2Na"	45.978436
"1402916"	390.048070666667	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H+2Na"	46.985712
"1432115"	1170.171246	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H+HCOOH"	47.012746
"223267"	1151.18074	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+3H2O+2H"	56.04448
"1519718"	1184.22329	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+IsoProp+H"	61.06479
"413205"	1154.134688	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+Na+K"	61.952376
"773473"	1715.713938	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+Na+K"	61.952376
"1668344"	592.555438	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Na+K"	61.952376
"260337"	2310.332768	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+ACN+Na"	64.015768
"1233781"	1187.174268	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+ACN+Na"	64.015768
"1719752"	1187.197793	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+NH4+HCOOH"	64.039293
"1182916"	397.375384666667	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+3Na"	68.967654
"1657189"	1192.153188	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Na+HCOOH"	68.994688
"169519"	2323.23604	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+2K-H"	76.91904
"610173"	3446.39454	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+2K-H"	76.91904
"1097966"	1200.07754	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2K-H"	76.91904
"150413"	1162.121658	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"2M+2K"	77.926316
"595198"	1723.700908	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"3M+2K"	77.926316
"1083485"	600.542408	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2K"	77.926316
"1115232"	1202.092092	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2K+H"	78.933592
"1349426"	1202.179707	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+DMSO+H"	79.021207
"1018077"	1206.218876	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2ACN+H"	83.060376
"1529642"	1207.212508	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+IsoProp+Na+H"	84.054008
"999370"	603.613076	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+2ACN+2H"	84.067652
"1596058"	1208.127128	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+K+HCOOH"	84.968628
"1426824"	1238.158638	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+H+CF3COOH"	115.000138
"1158568"	624.126351	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+3ACN+2H"	125.094202
"1711401"	1255.185185	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+NH4+CF3COOH"	132.026685
"1648511"	1260.14058	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+Na+CF3COOH"	136.98208
"1584887"	1276.11452	"C13842"	"alpha-Semegma mycolic acid"	"C77H150O3"	"1123.1585"	"M+K+CF3COOH"	152.95602
"815622"	318.2195	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M"	0
"989156"	299.20111	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"77032"	211.139057333333	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"514404"	317.212224	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"895122"	105.065890666667	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"8592"	317.212224	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"448154"	476.321974	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"820490"	158.102474	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"82667"	635.431724	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"525512"	953.651224	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"898938"	317.212224	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"58784"	652.458271	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"497252"	970.677771	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"869950"	334.238771	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"34204"	657.413666	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"471936"	975.633166	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"848846"	339.194166	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1619271"	339.194166	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"96165"	335.200563	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"535724"	494.310313	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"928148"	176.090813	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"269262"	671.408402	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"661681"	989.627902	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1277370"	353.188902	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"17128"	673.387606	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"460584"	991.607106	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"836197"	355.168106	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1570639"	355.168106	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"955238"	363.217694	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"372368"	681.437201	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"358435"	695.452851	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1505080"	377.233351	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"970800"	385.199651	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"122624"	353.188902	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"561817"	512.298652	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1031709"	194.079152	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1251648"	397.138385	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1315195"	399.194372	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1328317"	421.176329	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"922657"	431.205086	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1299364"	467.181764	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1378984"	283.206824	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1392836"	301.2168	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"292522"	637.446276	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"683485"	955.665776	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1358013"	319.226776	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"128715"	319.226776	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"568638"	478.336526	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1040718"	160.117026	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"213726"	213.153609333333	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"657657"	319.226776	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1171409"	107.080442666667	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"434681"	654.472823	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"794581"	972.692323	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1690915"	336.253323	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"339192"	327.7400495	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"733807"	486.8497995	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1492288"	168.6302995	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"408428"	659.428218	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"769923"	977.647718	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1618333"	341.208718	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"329964"	330.217747	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"722656"	489.327497	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1476056"	171.107997	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1067963"	114.407756666667	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1271953"	351.252986	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"391862"	675.402158	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"752733"	993.621658	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1551505"	357.182658	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"306494"	338.204717	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"703286"	497.314467	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1454917"	179.094967	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"241332"	678.472826	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1213310"	360.253326	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1200471"	180.630301	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"194076"	681.41016	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"641303"	999.62966	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1142623"	363.19066	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"181537"	341.208718	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"618909"	500.318468	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1124609"	182.098968	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1410684"	121.735070666667	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1439154"	365.232246	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"229943"	346.24174	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1515819"	379.28429	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"414411"	349.195688	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"775406"	508.305438	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1668818"	190.085938	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"258260"	700.454768	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1229148"	382.235268	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1716209"	382.258793	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1181933"	129.062384666667	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1657299"	387.214188	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"172344"	713.35804	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"610283"	1031.57754	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1099048"	395.13854	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"147242"	357.182658	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"592269"	516.292408	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1082249"	198.072908	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1115339"	397.153092	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1348564"	397.240707	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1018188"	401.279876	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1534126"	402.273508	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1000573"	201.143576	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1596168"	403.188128	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1426204"	433.219638	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1157584"	221.656851	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1711147"	450.246185	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1648985"	455.20158	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1584997"	471.17552	"C13843"	"17R18S-Epoxy-5Z8Z11Z14Z-icosatetraenoic acid;(5Z8Z11Z14Z)-(17R18S)-1718-Epoxyicosa-581114-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"815367"	230.0014	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M"	0
"988537"	210.98301	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-H2O-H"	-19.01839
"78237"	152.326990666667	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M-3H"	-3.021828
"517673"	228.994124	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M-3H"	-3.021828
"894140"	75.6598573333333	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-3H"	-3.021828
"9795"	228.994124	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M-2H"	-2.014552
"446077"	343.994824	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M-2H"	-2.014552
"823880"	113.993424	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-2H"	-2.014552
"83870"	458.995524	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M-H"	-1.007276
"526716"	688.996924	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M-H"	-1.007276
"898683"	228.994124	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-H"	-1.007276
"57801"	476.022071	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M-2H+NH4"	16.019271
"497362"	706.023471	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M-2H+NH4"	16.019271
"869331"	246.020671	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-2H+NH4"	16.019271
"32975"	480.977466	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M-2H+Na"	20.974666
"472041"	710.978866	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M-2H+Na"	20.974666
"848754"	250.976066	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-2H+Na"	20.974666
"1620106"	250.976066	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Na-2H"	20.974666
"96275"	246.982463	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M-H+Cl"	33.962126
"535588"	361.983163	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M-H+Cl"	33.962126
"927406"	131.981763	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-H+Cl"	33.962126
"267589"	494.972202	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+Cl"	34.969402
"660815"	724.973602	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+Cl"	34.969402
"1277480"	264.970802	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Cl"	34.969402
"16103"	496.951406	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M-2H+K"	36.948606
"462880"	726.952806	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M-2H+K"	36.948606
"834848"	266.950006	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-2H+K"	36.948606
"1570954"	266.950006	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+K-2H"	36.948606
"957172"	274.999594	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-H+HCOOH"	44.998194
"371021"	505.001001	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+HCOOH-H"	44.998201
"358547"	519.016651	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+Hac-H"	59.013851
"1504097"	289.015251	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Hac-H"	59.013851
"970544"	296.981551	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-H+NaCOOH"	66.980151
"122370"	264.970802	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+2Cl"	69.938804
"561926"	379.971502	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+2Cl"	69.938804
"1031819"	149.970102	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2Cl"	69.938804
"1251759"	308.920285	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Br"	78.918885
"1315304"	310.976272	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Cl+HCOOH"	80.974872
"1330614"	332.958229	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Cl+NaCOOH"	102.956829
"921672"	342.986986	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M-H+CF3COOH"	112.985586
"1299474"	378.963664	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Cl+CF3COOH"	148.962264
"1374354"	194.988724	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H-2H2O"	-35.012676
"1394039"	212.9987	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H-H2O"	-17.0027
"291175"	461.010076	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+H"	1.007276
"684326"	691.011476	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+H"	1.007276
"1357027"	231.008676	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H"	1.007276
"128825"	231.008676	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+2H"	2.014552
"568384"	346.009376	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+2H"	2.014552
"1039371"	116.007976	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2H"	2.014552
"213835"	154.341542666667	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+3H"	3.021828
"652299"	231.008676	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+3H"	3.021828
"1168237"	77.6744093333333	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+3H"	3.021828
"431509"	478.036623	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+NH4"	18.033823
"788494"	708.038023	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+NH4"	18.033823
"1686648"	248.035223	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+NH4"	18.033823
"333103"	239.5219495	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+H+NH4"	19.041099
"731729"	354.5226495	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+H+NH4"	19.041099
"1488830"	124.5212495	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H+NH4"	19.041099
"408128"	482.992018	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+Na"	22.989218
"768512"	712.993418	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+Na"	22.989218
"1618421"	252.990618	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Na"	22.989218
"329948"	241.999647	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+H+Na"	23.996494
"720888"	357.000347	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+H+Na"	23.996494
"1475681"	126.998947	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H+Na"	23.996494
"1066374"	85.0017233333333	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2H+Na"	25.00377
"1270970"	263.034886	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+CH3OH+H"	33.033486
"390029"	498.965958	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+K"	38.963158
"752118"	728.967358	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+K"	38.963158
"1553442"	268.964558	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+K"	38.963158
"307698"	249.986617	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+H+K"	39.970434
"700117"	364.987317	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+H+K"	39.970434
"1455027"	134.985917	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H+K"	39.970434
"240349"	502.036626	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+ACN+H"	42.033826
"1215242"	272.035226	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+ACN+H"	42.033826
"1200581"	136.521251	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+ACN+2H"	43.041102
"193093"	504.97396	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+2Na-H"	44.97116
"640318"	734.97536	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+2Na-H"	44.97116
"1142732"	274.97256	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2Na-H"	44.97116
"179460"	252.990618	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+2Na"	45.978436
"622299"	367.991318	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+2Na"	45.978436
"1126908"	137.989918	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2Na"	45.978436
"1411161"	92.3290373333333	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H+2Na"	46.985712
"1439993"	277.014146	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H+HCOOH"	47.012746
"231145"	258.02364	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+3H2O+2H"	56.04448
"1517024"	291.06619	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+IsoProp+H"	61.06479
"415614"	260.977588	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+Na+K"	61.952376
"775516"	375.978288	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+Na+K"	61.952376
"1667834"	145.976888	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Na+K"	61.952376
"260557"	524.018568	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+ACN+Na"	64.015768
"1229985"	294.017168	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+ACN+Na"	64.015768
"1715225"	294.040693	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+NH4+HCOOH"	64.039293
"1182043"	99.6563513333333	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+3Na"	68.967654
"1660690"	298.996088	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Na+HCOOH"	68.994688
"172535"	536.92184	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+2K-H"	76.91904
"610029"	766.92324	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+2K-H"	76.91904
"1097092"	306.92044	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2K-H"	76.91904
"153912"	268.964558	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"2M+2K"	77.926316
"595659"	383.965258	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"3M+2K"	77.926316
"1082359"	153.963858	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2K"	77.926316
"1114961"	308.934992	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2K+H"	78.933592
"1345394"	309.022607	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+DMSO+H"	79.021207
"1010643"	313.061776	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2ACN+H"	83.060376
"1530956"	314.055408	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+IsoProp+Na+H"	84.054008
"1001776"	157.034526	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+2ACN+2H"	84.067652
"1596278"	314.970028	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+K+HCOOH"	84.968628
"1425221"	345.001538	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+H+CF3COOH"	115.000138
"1151134"	177.547801	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+3ACN+2H"	125.094202
"1708341"	362.028085	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+NH4+CF3COOH"	132.026685
"1649094"	366.98348	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+Na+CF3COOH"	136.98208
"1585107"	382.95742	"C13844"	"DCEBIO;56-Dichloro-1-ethyl-13-dihydro-2H-benzimidazol-2-one"	"C9H8Cl2N2O"	"230.0014"	"M+K+CF3COOH"	152.95602
"816571"	641.5383	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M"	0
"988648"	622.51991	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-H2O-H"	-19.01839
"77979"	426.684924	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M-3H"	-3.021828
"515717"	640.531024	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M-3H"	-3.021828
"893519"	212.838824	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-3H"	-3.021828
"5532"	640.531024	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M-2H"	-2.014552
"447280"	961.300174	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M-2H"	-2.014552
"825083"	319.761874	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-2H"	-2.014552
"83980"	1282.069324	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M-H"	-1.007276
"526826"	1923.607624	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M-H"	-1.007276
"900251"	640.531024	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-H"	-1.007276
"56817"	1299.095871	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M-2H+NH4"	16.019271
"497472"	1940.634171	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M-2H+NH4"	16.019271
"869806"	657.557571	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-2H+NH4"	16.019271
"32599"	1304.051266	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M-2H+Na"	20.974666
"472514"	1945.589566	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M-2H+Na"	20.974666
"849471"	662.512966	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-2H+Na"	20.974666
"1619491"	662.512966	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Na-2H"	20.974666
"95292"	658.519363	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M-H+Cl"	33.962126
"535577"	979.288513	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M-H+Cl"	33.962126
"929461"	337.750213	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-H+Cl"	33.962126
"268746"	1318.046002	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+Cl"	34.969402
"662262"	1959.584302	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+Cl"	34.969402
"1275760"	676.507702	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Cl"	34.969402
"17956"	1320.025206	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M-2H+K"	36.948606
"456668"	1961.563506	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M-2H+K"	36.948606
"833414"	678.486906	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-2H+K"	36.948606
"1569029"	678.486906	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+K-2H"	36.948606
"957202"	686.536494	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-H+HCOOH"	44.998194
"375018"	1328.074801	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+HCOOH-H"	44.998201
"355378"	1342.090451	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+Hac-H"	59.013851
"1506394"	700.552151	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Hac-H"	59.013851
"966277"	708.518451	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-H+NaCOOH"	66.980151
"119559"	676.507702	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+2Cl"	69.938804
"562037"	997.276852	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+2Cl"	69.938804
"1029013"	355.738552	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2Cl"	69.938804
"1249683"	720.457185	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Br"	78.918885
"1315050"	722.513172	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Cl+HCOOH"	80.974872
"1332912"	744.495129	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Cl+NaCOOH"	102.956829
"923970"	754.523886	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M-H+CF3COOH"	112.985586
"1298491"	790.500564	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Cl+CF3COOH"	148.962264
"1378839"	606.525624	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H-2H2O"	-35.012676
"1394149"	624.5356	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H-H2O"	-17.0027
"292378"	1284.083876	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+H"	1.007276
"686257"	1925.622176	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+H"	1.007276
"1358230"	642.545576	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H"	1.007276
"130028"	642.545576	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+2H"	2.014552
"569587"	963.314726	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+2H"	2.014552
"1040574"	321.776426	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2H"	2.014552
"215038"	428.699476	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+3H"	3.021828
"652409"	642.545576	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+3H"	3.021828
"1165065"	214.853376	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+3H"	3.021828
"431618"	1301.110423	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+NH4"	18.033823
"787874"	1942.648723	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+NH4"	18.033823
"1686758"	659.572123	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+NH4"	18.033823
"335035"	651.0588495	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+H+NH4"	19.041099
"728556"	971.8279995	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+H+NH4"	19.041099
"1486753"	330.2896995	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H+NH4"	19.041099
"407511"	1306.065818	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+Na"	22.989218
"768501"	1947.604118	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+Na"	22.989218
"1617452"	664.527518	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Na"	22.989218
"327852"	653.536547	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+H+Na"	23.996494
"720148"	974.305697	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+H+Na"	23.996494
"1473359"	332.767397	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H+Na"	23.996494
"1061861"	222.18069	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2H+Na"	25.00377
"1269010"	674.571786	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+CH3OH+H"	33.033486
"387584"	1322.039758	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+K"	38.963158
"750768"	1963.578058	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+K"	38.963158
"1551725"	680.501458	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+K"	38.963158
"305620"	661.523517	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+H+K"	39.970434
"700225"	982.292667	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+H+K"	39.970434
"1449670"	340.754367	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H+K"	39.970434
"239364"	1325.110426	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+ACN+H"	42.033826
"1215351"	683.572126	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+ACN+H"	42.033826
"1199232"	342.289701	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+ACN+2H"	43.041102
"194660"	1328.04776	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+2Na-H"	44.97116
"640428"	1969.58606	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+2Na-H"	44.97116
"1143935"	686.50946	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2Na-H"	44.97116
"180664"	664.527518	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+2Na"	45.978436
"621316"	985.296668	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+2Na"	45.978436
"1128112"	343.758368	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2Na"	45.978436
"1407992"	229.508004	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H+2Na"	46.985712
"1441199"	688.551046	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H+HCOOH"	47.012746
"231984"	669.56054	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+3H2O+2H"	56.04448
"1518227"	702.60309	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+IsoProp+H"	61.06479
"415724"	672.514488	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+Na+K"	61.952376
"775626"	993.283638	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+Na+K"	61.952376
"1668675"	351.745338	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Na+K"	61.952376
"257388"	1347.092368	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+ACN+Na"	64.015768
"1227909"	705.554068	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+ACN+Na"	64.015768
"1713593"	705.577593	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+NH4+HCOOH"	64.039293
"1182517"	236.835318	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+3Na"	68.967654
"1660800"	710.532988	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Na+HCOOH"	68.994688
"172369"	1359.99564	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+2K-H"	76.91904
"611596"	2001.53394	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+2K-H"	76.91904
"1093921"	718.45734	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2K-H"	76.91904
"155116"	680.501458	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"2M+2K"	77.926316
"595648"	1001.270608	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"3M+2K"	77.926316
"1083077"	359.732308	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2K"	77.926316
"1114340"	720.471892	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2K+H"	78.933592
"1343317"	720.559507	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+DMSO+H"	79.021207
"1012940"	724.598676	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2ACN+H"	83.060376
"1533253"	725.592308	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+IsoProp+Na+H"	84.054008
"1001887"	362.802976	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+2ACN+2H"	84.067652
"1599669"	726.506928	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+K+HCOOH"	84.968628
"1426424"	756.538438	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+H+CF3COOH"	115.000138
"1158898"	383.316251	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+3ACN+2H"	125.094202
"1710639"	773.564985	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+NH4+CF3COOH"	132.026685
"1648477"	778.52038	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+Na+CF3COOH"	136.98208
"1585217"	794.49432	"C13845"	"13-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-13-diol"	"C41H71NO4"	"641.5383"	"M+K+CF3COOH"	152.95602
"816847"	283.2875	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M"	0
"988390"	264.26911	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-H2O-H"	-19.01839
"76632"	187.851057333333	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M-3H"	-3.021828
"514734"	282.280224	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M-3H"	-3.021828
"888161"	93.4218906666667	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-3H"	-3.021828
"536"	282.280224	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M-2H"	-2.014552
"441919"	423.923974	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M-2H"	-2.014552
"824100"	140.636474	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-2H"	-2.014552
"85183"	565.567724	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M-H"	-1.007276
"526936"	848.855224	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M-H"	-1.007276
"900726"	282.280224	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-H"	-1.007276
"55834"	582.594271	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M-2H+NH4"	16.019271
"498675"	865.881771	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M-2H+NH4"	16.019271
"871010"	299.306771	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-2H+NH4"	16.019271
"34533"	587.549666	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M-2H+Na"	20.974666
"472871"	870.837166	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M-2H+Na"	20.974666
"851527"	304.262166	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-2H+Na"	20.974666
"1621059"	304.262166	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Na-2H"	20.974666
"96857"	300.268563	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M-H+Cl"	33.962126
"536418"	441.912313	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M-H+Cl"	33.962126
"928841"	158.624813	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-H+Cl"	33.962126
"269585"	601.544402	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+Cl"	34.969402
"662736"	884.831902	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+Cl"	34.969402
"1276600"	318.256902	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Cl"	34.969402
"17091"	603.523606	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M-2H+K"	36.948606
"456777"	886.811106	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M-2H+K"	36.948606
"834455"	320.236106	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-2H+K"	36.948606
"1560019"	320.236106	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+K-2H"	36.948606
"956296"	328.285694	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-H+HCOOH"	44.998194
"373782"	611.573201	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+HCOOH-H"	44.998201
"359856"	625.588851	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+Hac-H"	59.013851
"1506136"	342.301351	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Hac-H"	59.013851
"970396"	350.267651	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-H+NaCOOH"	66.980151
"122218"	318.256902	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+2Cl"	69.938804
"562144"	459.900652	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+2Cl"	69.938804
"1032766"	176.613152	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2Cl"	69.938804
"1253798"	362.206385	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Br"	78.918885
"1317349"	364.262372	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Cl+HCOOH"	80.974872
"1331563"	386.244329	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Cl+NaCOOH"	102.956829
"923715"	396.273086	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M-H+CF3COOH"	112.985586
"1300786"	432.249764	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Cl+CF3COOH"	148.962264
"1379678"	248.274824	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H-2H2O"	-35.012676
"1394257"	266.2848	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H-H2O"	-17.0027
"285921"	567.582276	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+H"	1.007276
"680895"	850.869776	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+H"	1.007276
"1357243"	284.294776	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H"	1.007276
"133415"	284.294776	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+2H"	2.014552
"569694"	425.938526	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+2H"	2.014552
"1042870"	142.651026	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2H"	2.014552
"208582"	189.865609333333	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+3H"	3.021828
"647047"	284.294776	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+3H"	3.021828
"1166268"	95.4364426666667	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+3H"	3.021828
"427354"	584.608823	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+NH4"	18.033823
"787620"	867.896323	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+NH4"	18.033823
"1684311"	301.321323	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+NH4"	18.033823
"332224"	292.8080495	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+H+NH4"	19.041099
"728666"	434.4517995	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+H+NH4"	19.041099
"1485770"	151.1642995	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H+NH4"	19.041099
"400076"	589.564218	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+Na"	22.989218
"764353"	872.851718	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+Na"	22.989218
"1612450"	306.276718	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Na"	22.989218
"322486"	295.285747	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+H+Na"	23.996494
"719283"	436.929497	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+H+Na"	23.996494
"1470914"	153.641997	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H+Na"	23.996494
"1061971"	102.763756666667	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2H+Na"	25.00377
"1262557"	316.320986	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+CH3OH+H"	33.033486
"388786"	605.538158	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+K"	38.963158
"749782"	888.825658	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+K"	38.963158
"1548555"	322.250658	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+K"	38.963158
"303541"	303.272717	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+H+K"	39.970434
"694868"	444.916467	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+H+K"	39.970434
"1448684"	161.628967	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H+K"	39.970434
"236920"	608.608826	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+ACN+H"	42.033826
"1212179"	325.321326	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+ACN+H"	42.033826
"1198249"	163.164301	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+ACN+2H"	43.041102
"194406"	611.54616	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+2Na-H"	44.97116
"642724"	894.83366	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+2Na-H"	44.97116
"1144045"	328.25866	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2Na-H"	44.97116
"178587"	306.276718	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+2Na"	45.978436
"622519"	447.920468	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+2Na"	45.978436
"1129193"	164.632968	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2Na"	45.978436
"1412110"	110.091070666667	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H+2Na"	46.985712
"1443735"	330.300246	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H+HCOOH"	47.012746
"232459"	311.30974	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+3H2O+2H"	56.04448
"1519430"	344.35229	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+IsoProp+H"	61.06479
"415834"	314.263688	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+Na+K"	61.952376
"781203"	455.907438	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+Na+K"	61.952376
"1672066"	172.619938	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Na+K"	61.952376
"257498"	630.590768	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+ACN+Na"	64.015768
"1228019"	347.303268	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+ACN+Na"	64.015768
"1714717"	347.326793	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+NH4+HCOOH"	64.039293
"1180437"	117.418384666667	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+3Na"	68.967654
"1664068"	352.282188	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Na+HCOOH"	68.994688
"172395"	643.49404	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+2K-H"	76.91904
"612193"	926.78154	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+2K-H"	76.91904
"1098161"	360.20654	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2K-H"	76.91904
"155227"	322.250658	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"2M+2K"	77.926316
"595880"	463.894408	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"3M+2K"	77.926316
"1083673"	180.606908	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2K"	77.926316
"1114571"	362.221092	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2K+H"	78.933592
"1346708"	362.308707	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+DMSO+H"	79.021207
"1011958"	366.347876	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2ACN+H"	83.060376
"1535550"	367.341508	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+IsoProp+Na+H"	84.054008
"1000903"	183.677576	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+2ACN+2H"	84.067652
"1599779"	368.256128	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+K+HCOOH"	84.968628
"1424348"	398.287638	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+H+CF3COOH"	115.000138
"1160101"	204.190851	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+3ACN+2H"	125.094202
"1708561"	415.314185	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+NH4+CF3COOH"	132.026685
"1649439"	420.26958	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+Na+CF3COOH"	136.98208
"1585327"	436.24352	"C13846"	"Octadecanamide;Stearamide;Stearic acid amide"	"C18H37NO"	"283.2875"	"M+K+CF3COOH"	152.95602
"816588"	304.1939	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M"	0
"987042"	285.17551	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-H2O-H"	-19.01839
"77106"	201.788657333333	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M-3H"	-3.021828
"512658"	303.186624	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M-3H"	-3.021828
"887178"	100.390690666667	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-3H"	-3.021828
"5752"	303.186624	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M-2H"	-2.014552
"443126"	455.283574	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M-2H"	-2.014552
"820201"	151.089674	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-2H"	-2.014552
"84200"	607.380524	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M-H"	-1.007276
"528139"	911.574424	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M-H"	-1.007276
"901565"	303.186624	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-H"	-1.007276
"54849"	624.407071	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M-2H+NH4"	16.019271
"498785"	928.600971	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M-2H+NH4"	16.019271
"871120"	320.213171	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-2H+NH4"	16.019271
"35007"	629.362466	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M-2H+Na"	20.974666
"473471"	933.556366	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M-2H+Na"	20.974666
"853096"	325.168566	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-2H+Na"	20.974666
"1621535"	325.168566	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Na-2H"	20.974666
"99158"	321.174963	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M-H+Cl"	33.962126
"536529"	473.271913	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M-H+Cl"	33.962126
"929318"	169.078013	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-H+Cl"	33.962126
"271153"	643.357202	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+Cl"	34.969402
"663940"	947.551102	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+Cl"	34.969402
"1277437"	339.163302	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Cl"	34.969402
"20724"	645.336406	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M-2H+K"	36.948606
"457613"	949.530306	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M-2H+K"	36.948606
"835538"	341.142506	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-2H+K"	36.948606
"1560129"	341.142506	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+K-2H"	36.948606
"951298"	349.192094	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-H+HCOOH"	44.998194
"369514"	653.386001	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+HCOOH-H"	44.998201
"359967"	667.401651	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+Hac-H"	59.013851
"1506246"	363.207751	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Hac-H"	59.013851
"969046"	371.174051	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-H+NaCOOH"	66.980151
"122690"	339.163302	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+2Cl"	69.938804
"559337"	491.260252	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+2Cl"	69.938804
"1033968"	187.066352	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2Cl"	69.938804
"1246982"	383.112785	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Br"	78.918885
"1315271"	385.168772	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Cl+HCOOH"	80.974872
"1328027"	407.150729	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Cl+NaCOOH"	102.956829
"920907"	417.179486	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M-H+CF3COOH"	112.985586
"1298709"	453.156164	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Cl+CF3COOH"	148.962264
"1369945"	269.181224	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H-2H2O"	-35.012676
"1387441"	287.1912	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H-H2O"	-17.0027
"285667"	609.395076	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+H"	1.007276
"677725"	913.588976	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+H"	1.007276
"1351883"	305.201176	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H"	1.007276
"126354"	305.201176	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+2H"	2.014552
"566069"	457.298126	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+2H"	2.014552
"1039333"	153.104226	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2H"	2.014552
"206140"	203.803209333333	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+3H"	3.021828
"646790"	305.201176	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+3H"	3.021828
"1166010"	102.405242666667	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+3H"	3.021828
"428556"	626.421623	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+NH4"	18.033823
"788459"	930.615523	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+NH4"	18.033823
"1684059"	322.227723	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+NH4"	18.033823
"333431"	313.7144495	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+H+NH4"	19.041099
"728775"	465.8113995	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+H+NH4"	19.041099
"1484785"	161.6174995	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H+NH4"	19.041099
"401278"	631.377018	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+Na"	22.989218
"764462"	935.570918	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+Na"	22.989218
"1612558"	327.183118	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Na"	22.989218
"322595"	316.192147	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+H+Na"	23.996494
"721456"	468.289097	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+H+Na"	23.996494
"1473209"	164.095197	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H+Na"	23.996494
"1059894"	109.732556666667	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2H+Na"	25.00377
"1262666"	337.227386	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+CH3OH+H"	33.033486
"384522"	647.350958	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+K"	38.963158
"749892"	951.544858	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+K"	38.963158
"1551946"	343.157058	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+K"	38.963158
"303651"	324.179117	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+H+K"	39.970434
"697165"	476.276067	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+H+K"	39.970434
"1450251"	172.082167	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H+K"	39.970434
"240676"	650.421626	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+ACN+H"	42.033826
"1214475"	346.227726	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+ACN+H"	42.033826
"1200545"	173.617501	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+ACN+2H"	43.041102
"193787"	653.35896	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+2Na-H"	44.97116
"642834"	957.55286	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+2Na-H"	44.97116
"1144155"	349.16506	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2Na-H"	44.97116
"183071"	327.183118	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+2Na"	45.978436
"620443"	479.280068	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+2Na"	45.978436
"1128328"	175.086168	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2Na"	45.978436
"1412825"	117.059870666667	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H+2Na"	46.985712
"1433036"	351.206646	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H+HCOOH"	47.012746
"227105"	332.21614	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+3H2O+2H"	56.04448
"1512981"	365.25869	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+IsoProp+H"	61.06479
"410844"	335.170088	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+Na+K"	61.952376
"771109"	487.267038	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+Na+K"	61.952376
"1675456"	183.073138	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Na+K"	61.952376
"255419"	672.403568	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+ACN+Na"	64.015768
"1229222"	368.209668	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+ACN+Na"	64.015768
"1714826"	368.233193	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+NH4+HCOOH"	64.039293
"1181640"	124.387184666667	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+3Na"	68.967654
"1662842"	373.188588	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Na+HCOOH"	68.994688
"172136"	685.30684	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+2K-H"	76.91904
"610723"	989.50074	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+2K-H"	76.91904
"1094141"	381.11294	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2K-H"	76.91904
"155335"	343.157058	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"2M+2K"	77.926316
"592708"	495.254008	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"3M+2K"	77.926316
"1081594"	191.060108	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2K"	77.926316
"1112616"	383.127492	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2K+H"	78.933592
"1346819"	383.215107	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+DMSO+H"	79.021207
"1018266"	387.254276	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2ACN+H"	83.060376
"1537846"	388.247908	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+IsoProp+Na+H"	84.054008
"997733"	194.130776	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+2ACN+2H"	84.067652
"1601712"	389.162528	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+K+HCOOH"	84.968628
"1428101"	419.194038	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+H+CF3COOH"	115.000138
"1161304"	214.644051	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+3ACN+2H"	125.094202
"1708668"	436.220585	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+NH4+CF3COOH"	132.026685
"1641038"	441.17598	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+Na+CF3COOH"	136.98208
"1585437"	457.14992	"C13847"	"CP 339818"	"C21H24N2"	"304.1939"	"M+K+CF3COOH"	152.95602
"815805"	429.2668	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M"	0
"983872"	410.24841	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-H2O-H"	-19.01839
"69927"	285.170590666667	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M-3H"	-3.021828
"509488"	428.259524	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M-3H"	-3.021828
"883278"	142.081657333333	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-3H"	-3.021828
"635"	428.259524	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M-2H"	-2.014552
"440314"	642.892924	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M-2H"	-2.014552
"819216"	213.626124	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-2H"	-2.014552
"79570"	857.526324	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M-H"	-1.007276
"527156"	1286.793124	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M-H"	-1.007276
"901675"	428.259524	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-H"	-1.007276
"53866"	874.552871	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M-2H+NH4"	16.019271
"497802"	1303.819671	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M-2H+NH4"	16.019271
"871230"	445.286071	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-2H+NH4"	16.019271
"34753"	879.508266	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M-2H+Na"	20.974666
"473581"	1308.775066	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M-2H+Na"	20.974666
"851750"	450.241466	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-2H+Na"	20.974666
"1621647"	450.241466	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Na-2H"	20.974666
"98174"	446.247863	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M-H+Cl"	33.962126
"535667"	660.881263	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M-H+Cl"	33.962126
"928698"	231.614463	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-H+Cl"	33.962126
"269806"	893.503002	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+Cl"	34.969402
"665508"	1322.769802	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+Cl"	34.969402
"1276455"	464.236202	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Cl"	34.969402
"19376"	895.482206	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M-2H+K"	36.948606
"456509"	1324.749006	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M-2H+K"	36.948606
"833702"	466.215406	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-2H+K"	36.948606
"1559508"	466.215406	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+K-2H"	36.948606
"949222"	474.264994	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-H+HCOOH"	44.998194
"368531"	903.531801	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+HCOOH-H"	44.998201
"354603"	917.547451	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+Hac-H"	59.013851
"1503074"	488.280651	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Hac-H"	59.013851
"965144"	496.246951	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-H+NaCOOH"	66.980151
"122071"	464.236202	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+2Cl"	69.938804
"562361"	678.869602	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+2Cl"	69.938804
"1029337"	249.602802	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2Cl"	69.938804
"1248549"	508.185685	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Br"	78.918885
"1317568"	510.241672	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Cl+HCOOH"	80.974872
"1328867"	532.223629	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Cl+NaCOOH"	102.956829
"923204"	542.252386	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M-H+CF3COOH"	112.985586
"1298819"	578.229064	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Cl+CF3COOH"	148.962264
"1376981"	394.254124	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H-2H2O"	-35.012676
"1389373"	412.2641	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H-H2O"	-17.0027
"286505"	859.540876	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+H"	1.007276
"679656"	1288.807676	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+H"	1.007276
"1354547"	430.274076	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H"	1.007276
"127437"	430.274076	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+2H"	2.014552
"565893"	644.907476	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+2H"	2.014552
"1038470"	215.640676	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2H"	2.014552
"205395"	287.185142666667	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+3H"	3.021828
"647993"	430.274076	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+3H"	3.021828
"1166483"	144.096209333333	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+3H"	3.021828
"426480"	876.567423	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+NH4"	18.033823
"786747"	1305.834223	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+NH4"	18.033823
"1682711"	447.300623	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+NH4"	18.033823
"332448"	438.7873495	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+H+NH4"	19.041099
"728884"	653.4207495	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+H+NH4"	19.041099
"1483802"	224.1539495	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H+NH4"	19.041099
"398105"	881.522818	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+Na"	22.989218
"761291"	1310.789618	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+Na"	22.989218
"1611573"	452.256018	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Na"	22.989218
"322704"	441.265047	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+H+Na"	23.996494
"720594"	655.898447	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+H+Na"	23.996494
"1467852"	226.631647	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H+Na"	23.996494
"1057817"	151.423523333333	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2H+Na"	25.00377
"1262776"	462.300286	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+CH3OH+H"	33.033486
"384631"	897.496758	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+K"	38.963158
"747815"	1326.763558	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+K"	38.963158
"1550962"	468.229958	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+K"	38.963158
"303761"	449.252017	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+H+K"	39.970434
"695088"	663.885417	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+H+K"	39.970434
"1448176"	234.618617	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H+K"	39.970434
"237871"	900.567426	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+ACN+H"	42.033826
"1212399"	471.300626	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+ACN+H"	42.033826
"1199562"	236.153951	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+ACN+2H"	43.041102
"190617"	903.50476	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+2Na-H"	44.97116
"640757"	1332.77156	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+2Na-H"	44.97116
"1144265"	474.23796	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2Na-H"	44.97116
"182088"	452.256018	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+2Na"	45.978436
"618366"	666.889418	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+2Na"	45.978436
"1128438"	237.622618	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2Na"	45.978436
"1411963"	158.750837333333	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H+2Na"	46.985712
"1432053"	476.279546	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H+HCOOH"	47.012746
"225028"	457.28904	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+3H2O+2H"	56.04448
"1510904"	490.33159	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+IsoProp+H"	61.06479
"410225"	460.242988	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+Na+K"	61.952376
"771948"	674.876388	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+Na+K"	61.952376
"1672286"	245.609588	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Na+K"	61.952376
"255892"	922.549368	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+ACN+Na"	64.015768
"1226900"	493.282568	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+ACN+Na"	64.015768
"1714935"	493.306093	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+NH4+HCOOH"	64.039293
"1182113"	166.078151333333	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+3Na"	68.967654
"1664288"	498.261488	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Na+HCOOH"	68.994688
"169086"	935.45264	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+2K-H"	76.91904
"611926"	1364.71944	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+2K-H"	76.91904
"1096437"	506.18584	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2K-H"	76.91904
"155445"	468.229958	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"2M+2K"	77.926316
"595005"	682.863358	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"3M+2K"	77.926316
"1082922"	253.596558	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2K"	77.926316
"1114670"	508.200392	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2K+H"	78.933592
"1346929"	508.288007	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+DMSO+H"	79.021207
"1017645"	512.327176	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2ACN+H"	83.060376
"1535770"	513.320808	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+IsoProp+Na+H"	84.054008
"1002217"	256.667226	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+2ACN+2H"	84.067652
"1601093"	514.235428	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+K+HCOOH"	84.968628
"1428938"	544.266938	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+H+CF3COOH"	115.000138
"1161414"	277.180501	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+3ACN+2H"	125.094202
"1709871"	561.293485	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+NH4+CF3COOH"	132.026685
"1641148"	566.24888	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+Na+CF3COOH"	136.98208
"1585547"	582.22282	"C13848"	"UK 78282"	"C29H35NO2"	"429.2668"	"M+K+CF3COOH"	152.95602
"815673"	788.3255	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M"	0
"985075"	769.30711	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-H2O-H"	-19.01839
"71130"	524.543057333333	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M-3H"	-3.021828
"508505"	787.318224	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M-3H"	-3.021828
"885211"	261.767890666667	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-3H"	-3.021828
"746"	787.318224	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M-2H"	-2.014552
"444439"	1181.480974	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M-2H"	-2.014552
"820053"	393.155474	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-2H"	-2.014552
"79678"	1575.643724	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M-H"	-1.007276
"521797"	2363.969224	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M-H"	-1.007276
"901785"	787.318224	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-H"	-1.007276
"52882"	1592.670271	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M-2H+NH4"	16.019271
"497913"	2380.995771	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M-2H+NH4"	16.019271
"872432"	804.344771	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-2H+NH4"	16.019271
"34135"	1597.625666	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M-2H+Na"	20.974666
"473695"	2385.951166	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M-2H+Na"	20.974666
"851132"	809.300166	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-2H+Na"	20.974666
"1619206"	809.300166	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Na-2H"	20.974666
"96098"	805.306563	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M-H+Cl"	33.962126
"535048"	1199.469313	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M-H+Cl"	33.962126
"927426"	411.143813	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-H+Cl"	33.962126
"268823"	1611.620402	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+Cl"	34.969402
"661610"	2399.945902	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+Cl"	34.969402
"1274015"	823.294902	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Cl"	34.969402
"16571"	1613.599606	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M-2H+K"	36.948606
"457231"	2401.925106	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M-2H+K"	36.948606
"833205"	825.274106	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-2H+K"	36.948606
"1558162"	825.274106	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+K-2H"	36.948606
"947140"	833.323694	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-H+HCOOH"	44.998194
"371922"	1621.649201	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+HCOOH-H"	44.998201
"355807"	1635.664851	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+Hac-H"	59.013851
"1502454"	847.339351	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Hac-H"	59.013851
"969993"	855.305651	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-H+NaCOOH"	66.980151
"121088"	823.294902	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+2Cl"	69.938804
"559557"	1217.457652	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+2Cl"	69.938804
"1028354"	429.132152	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2Cl"	69.938804
"1247931"	867.244385	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Br"	78.918885
"1317679"	869.300372	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Cl+HCOOH"	80.974872
"1331163"	891.282329	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Cl+NaCOOH"	102.956829
"922221"	901.311086	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M-H+CF3COOH"	112.985586
"1301116"	937.287764	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Cl+CF3COOH"	148.962264
"1377821"	753.312824	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H-2H2O"	-35.012676
"1389119"	771.3228	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H-H2O"	-17.0027
"286251"	1577.658276	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+H"	1.007276
"679402"	2365.983776	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+H"	1.007276
"1353928"	789.332776	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H"	1.007276
"128276"	789.332776	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+2H"	2.014552
"566009"	1183.495526	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+2H"	2.014552
"1037851"	395.170026	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2H"	2.014552
"206360"	526.557609333333	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+3H"	3.021828
"645554"	789.332776	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+3H"	3.021828
"1164043"	263.782442666667	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+3H"	3.021828
"424359"	1594.684823	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+NH4"	18.033823
"786492"	2383.010323	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+NH4"	18.033823
"1681426"	806.359323	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+NH4"	18.033823
"332558"	797.8460495	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+H+NH4"	19.041099
"731181"	1192.0087995	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+H+NH4"	19.041099
"1485002"	403.6832995	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H+NH4"	19.041099
"399309"	1599.640218	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+Na"	22.989218
"762490"	2387.965718	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+Na"	22.989218
"1612775"	811.314718	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Na"	22.989218
"322814"	800.323747	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+H+Na"	23.996494
"718517"	1194.486497	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+H+Na"	23.996494
"1467960"	406.160997	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H+Na"	23.996494
"1059019"	271.109756666667	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2H+Na"	25.00377
"1263979"	821.358986	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+CH3OH+H"	33.033486
"389113"	1615.614158	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+K"	38.963158
"750112"	2403.939658	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+K"	38.963158
"1551070"	827.288658	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+K"	38.963158
"303871"	808.310717	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+H+K"	39.970434
"697385"	1202.473467	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+H+K"	39.970434
"1449379"	414.147967	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H+K"	39.970434
"238707"	1618.684826	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+ACN+H"	42.033826
"1212508"	830.359326	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+ACN+H"	42.033826
"1199672"	415.683301	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+ACN+2H"	43.041102
"191453"	1621.62216	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+2Na-H"	44.97116
"641596"	2409.94766	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+2Na-H"	44.97116
"1140001"	833.29666	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2Na-H"	44.97116
"180741"	811.314718	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+2Na"	45.978436
"617383"	1205.477468	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+2Na"	45.978436
"1125268"	417.151968	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2Na"	45.978436
"1408792"	278.437070666667	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H+2Na"	46.985712
"1437629"	835.338246	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H+HCOOH"	47.012746
"227325"	816.34774	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+3H2O+2H"	56.04448
"1511014"	849.39029	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+IsoProp+H"	61.06479
"408875"	819.301688	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+Na+K"	61.952376
"771694"	1213.464438	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+Na+K"	61.952376
"1671303"	425.138938	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Na+K"	61.952376
"254180"	1640.666768	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+ACN+Na"	64.015768
"1229804"	852.341268	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+ACN+Na"	64.015768
"1713952"	852.364793	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+NH4+HCOOH"	64.039293
"1181492"	285.764384666667	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+3Na"	68.967654
"1653581"	857.320188	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Na+HCOOH"	68.994688
"165910"	1653.57004	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+2K-H"	76.91904
"612728"	2441.89554	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+2K-H"	76.91904
"1097640"	865.24454	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2K-H"	76.91904
"156652"	827.288658	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"2M+2K"	77.926316
"595113"	1221.451408	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"3M+2K"	77.926316
"1083156"	433.125908	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2K"	77.926316
"1112835"	867.259092	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2K+H"	78.933592
"1348861"	867.346707	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+DMSO+H"	79.021207
"1020306"	871.385876	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2ACN+H"	83.060376
"1537704"	872.379508	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+IsoProp+Na+H"	84.054008
"1003421"	436.196576	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+2ACN+2H"	84.067652
"1600109"	873.294128	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+K+HCOOH"	84.968628
"1425768"	903.325638	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+H+CF3COOH"	115.000138
"1162496"	456.709851	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+3ACN+2H"	125.094202
"1709981"	920.352185	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+NH4+CF3COOH"	132.026685
"1641258"	925.30758	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+Na+CF3COOH"	136.98208
"1585657"	941.28152	"C13849"	"Correolide"	"C40H52O16"	"788.3255"	"M+K+CF3COOH"	152.95602
"815661"	573.2242	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M"	0
"981905"	554.20581	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-H2O-H"	-19.01839
"71240"	381.142190666667	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M-3H"	-3.021828
"509708"	572.216924	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M-3H"	-3.021828
"885321"	190.067457333333	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-3H"	-3.021828
"3530"	572.216924	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M-2H"	-2.014552
"445642"	858.829024	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M-2H"	-2.014552
"818339"	285.604824	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-2H"	-2.014552
"79788"	1145.441124	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M-H"	-1.007276
"523000"	1718.665324	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M-H"	-1.007276
"901895"	572.216924	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-H"	-1.007276
"52992"	1162.467671	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M-2H+NH4"	16.019271
"491462"	1735.691871	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M-2H+NH4"	16.019271
"869262"	589.243471	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-2H+NH4"	16.019271
"34608"	1167.423066	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M-2H+Na"	20.974666
"473073"	1740.647266	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M-2H+Na"	20.974666
"851242"	594.198866	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-2H+Na"	20.974666
"1619071"	594.198866	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Na-2H"	20.974666
"94785"	590.205263	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M-H+Cl"	33.962126
"535037"	876.817363	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M-H+Cl"	33.962126
"927255"	303.593163	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-H+Cl"	33.962126
"267393"	1181.417802	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+Cl"	34.969402
"662448"	1754.642002	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+Cl"	34.969402
"1274123"	608.193602	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Cl"	34.969402
"17531"	1183.397006	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M-2H+K"	36.948606
"457341"	1756.621206	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M-2H+K"	36.948606
"833804"	610.172806	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-2H+K"	36.948606
"1558272"	610.172806	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+K-2H"	36.948606
"949436"	618.222394	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-H+HCOOH"	44.998194
"367657"	1191.446601	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+HCOOH-H"	44.998201
"353729"	1205.462251	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+Hac-H"	59.013851
"1500375"	632.238051	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Hac-H"	59.013851
"964270"	640.204351	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-H+NaCOOH"	66.980151
"118279"	608.193602	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+2Cl"	69.938804
"556385"	894.805702	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+2Cl"	69.938804
"1027369"	321.581502	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2Cl"	69.938804
"1246946"	652.143085	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Br"	78.918885
"1316330"	654.199072	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Cl+HCOOH"	80.974872
"1327993"	676.181029	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Cl+NaCOOH"	102.956829
"921238"	686.209786	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M-H+CF3COOH"	112.985586
"1297946"	722.186464	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Cl+CF3COOH"	148.962264
"1377201"	538.211524	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H-2H2O"	-35.012676
"1389229"	556.2215	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H-H2O"	-17.0027
"284537"	1147.455676	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+H"	1.007276
"678783"	1720.679876	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+H"	1.007276
"1352214"	574.231476	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H"	1.007276
"128022"	574.231476	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+2H"	2.014552
"567217"	860.843576	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+2H"	2.014552
"1037711"	287.619376	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2H"	2.014552
"204334"	383.156742666667	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+3H"	3.021828
"646756"	574.231476	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+3H"	3.021828
"1166703"	192.082009333333	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+3H"	3.021828
"426696"	1164.482223	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+NH4"	18.033823
"788058"	1737.706423	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+NH4"	18.033823
"1684022"	591.258023	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+NH4"	18.033823
"330600"	582.7447495	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+H+NH4"	19.041099
"728008"	869.3568495	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+H+NH4"	19.041099
"1484016"	296.1326495	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H+NH4"	19.041099
"395041"	1169.437618	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+Na"	22.989218
"763693"	1742.661818	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+Na"	22.989218
"1608509"	596.213418	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Na"	22.989218
"321827"	585.222447	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+H+Na"	23.996494
"712062"	871.834547	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+H+Na"	23.996494
"1462600"	298.610347	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H+Na"	23.996494
"1056211"	199.409323333333	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2H+Na"	25.00377
"1260807"	606.257686	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+CH3OH+H"	33.033486
"387036"	1185.411558	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+K"	38.963158
"750223"	1758.635758	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+K"	38.963158
"1550086"	612.187358	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+K"	38.963158
"305074"	593.209417	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+H+K"	39.970434
"696034"	879.821517	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+H+K"	39.970434
"1448030"	306.597317	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H+K"	39.970434
"239181"	1188.482226	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+ACN+H"	42.033826
"1211159"	615.258026	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+ACN+H"	42.033826
"1196256"	308.132651	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+ACN+2H"	43.041102
"191563"	1191.41956	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+2Na-H"	44.97116
"640977"	1764.64376	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+2Na-H"	44.97116
"1139018"	618.19536	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2Na-H"	44.97116
"181215"	596.213418	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+2Na"	45.978436
"619680"	882.825518	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+2Na"	45.978436
"1118081"	309.601318	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2Na"	45.978436
"1405621"	206.736637333333	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H+2Na"	46.985712
"1436646"	620.236946	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H+HCOOH"	47.012746
"226342"	601.24644	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+3H2O+2H"	56.04448
"1508539"	634.28899	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+IsoProp+H"	61.06479
"408984"	604.200388	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+Na+K"	61.952376
"771802"	890.812488	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+Na+K"	61.952376
"1670319"	317.588288	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Na+K"	61.952376
"253190"	1210.464168	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+ACN+Na"	64.015768
"1227362"	637.239968	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+ACN+Na"	64.015768
"1712968"	637.263493	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+NH4+HCOOH"	64.039293
"1180503"	214.063951333333	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+3Na"	68.967654
"1654055"	642.218888	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Na+HCOOH"	68.994688
"166020"	1223.36744	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+2K-H"	76.91904
"605581"	1796.59164	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+2K-H"	76.91904
"1097750"	650.14324	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2K-H"	76.91904
"157060"	612.187358	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"2M+2K"	77.926316
"596074"	898.799458	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"3M+2K"	77.926316
"1083388"	325.575258	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2K"	77.926316
"1113917"	652.157792	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2K+H"	78.933592
"1349943"	652.245407	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+DMSO+H"	79.021207
"1020050"	656.284576	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2ACN+H"	83.060376
"1538666"	657.278208	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+IsoProp+Na+H"	84.054008
"1001343"	328.645926	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+2ACN+2H"	84.067652
"1598032"	658.192828	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+K+HCOOH"	84.968628
"1426971"	688.224338	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+H+CF3COOH"	115.000138
"1162363"	349.159201	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+3ACN+2H"	125.094202
"1708998"	705.250885	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+NH4+CF3COOH"	132.026685
"1641368"	710.20628	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+Na+CF3COOH"	136.98208
"1585767"	726.18022	"C13851"	"BRL 32872"	"C29H35N3O7HCl"	"573.2242"	"M+K+CF3COOH"	152.95602
"815407"	371.0471	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M"	0
"982015"	352.02871	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-H2O-H"	-19.01839
"71350"	246.357457333333	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M-3H"	-3.021828
"506538"	370.039824	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M-3H"	-3.021828
"883244"	122.675090666667	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-3H"	-3.021828
"2912"	370.039824	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M-2H"	-2.014552
"444659"	555.563374	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M-2H"	-2.014552
"820274"	184.516274	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-2H"	-2.014552
"83177"	741.086924	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M-H"	-1.007276
"520915"	1112.134024	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M-H"	-1.007276
"902005"	370.039824	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-H"	-1.007276
"53102"	758.113471	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M-2H+NH4"	16.019271
"493755"	1129.160571	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M-2H+NH4"	16.019271
"868277"	387.066371	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-2H+NH4"	16.019271
"34716"	763.068866	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M-2H+Na"	20.974666
"474279"	1134.115966	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M-2H+Na"	20.974666
"850744"	392.021766	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-2H+Na"	20.974666
"1621613"	392.021766	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Na-2H"	20.974666
"96323"	388.028163	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M-H+Cl"	33.962126
"537337"	573.551713	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M-H+Cl"	33.962126
"930487"	202.504613	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-H+Cl"	33.962126
"273423"	777.063602	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+Cl"	34.969402
"661467"	1148.110702	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+Cl"	34.969402
"1273874"	406.016502	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Cl"	34.969402
"17763"	779.042806	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M-2H+K"	36.948606
"457450"	1150.089906	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M-2H+K"	36.948606
"834888"	407.995706	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-2H+K"	36.948606
"1558746"	407.995706	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+K-2H"	36.948606
"947360"	416.045294	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-H+HCOOH"	44.998194
"362047"	787.092401	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+HCOOH-H"	44.998201
"346296"	801.108051	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+Hac-H"	59.013851
"1497932"	430.060951	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Hac-H"	59.013851
"966931"	438.027251	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-H+NaCOOH"	66.980151
"119118"	406.016502	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+2Cl"	69.938804
"557588"	591.540052	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+2Cl"	69.938804
"1025656"	220.492952	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2Cl"	69.938804
"1250339"	449.965985	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Br"	78.918885
"1315711"	452.021972	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Cl+HCOOH"	80.974872
"1331383"	474.003929	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Cl+NaCOOH"	102.956829
"922441"	484.032686	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M-H+CF3COOH"	112.985586
"1299153"	520.009364	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Cl+CF3COOH"	148.962264
"1376220"	336.034424	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H-2H2O"	-35.012676
"1391528"	354.0444	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H-H2O"	-17.0027
"284041"	743.101476	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+H"	1.007276
"677801"	1114.148576	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+H"	1.007276
"1353423"	372.054376	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H"	1.007276
"127039"	372.054376	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+2H"	2.014552
"566354"	557.577926	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+2H"	2.014552
"1047797"	186.530826	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2H"	2.014552
"210228"	248.372009333333	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+3H"	3.021828
"653069"	372.054376	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+3H"	3.021828
"1167912"	124.689642666667	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+3H"	3.021828
"432280"	760.128023	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+NH4"	18.033823
"788899"	1131.175123	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+NH4"	18.033823
"1685231"	389.080923	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+NH4"	18.033823
"331320"	380.5676495	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+H+NH4"	19.041099
"731399"	566.0911995	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+H+NH4"	19.041099
"1487414"	195.0440995	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H+NH4"	19.041099
"399534"	765.083418	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+Na"	22.989218
"761622"	1136.130518	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+Na"	22.989218
"1612998"	394.036318	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Na"	22.989218
"320847"	383.045347	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+H+Na"	23.996494
"719829"	568.568897	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+H+Na"	23.996494
"1474743"	197.521797	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H+Na"	23.996494
"1064708"	132.016956666667	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2H+Na"	25.00377
"1270762"	404.080586	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+CH3OH+H"	33.033486
"391972"	781.057358	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+K"	38.963158
"750333"	1152.104458	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+K"	38.963158
"1548012"	410.010258	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+K"	38.963158
"308467"	391.032317	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+H+K"	39.970434
"699794"	576.555867	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+H+K"	39.970434
"1455800"	205.508767	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H+K"	39.970434
"244399"	784.128026	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+ACN+H"	42.033826
"1221116"	413.080926	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+ACN+H"	42.033826
"1199896"	207.044101	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+ACN+2H"	43.041102
"192766"	787.06536	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+2Na-H"	44.97116
"638900"	1158.11246	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+2Na-H"	44.97116
"1143138"	416.01826	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2Na-H"	44.97116
"182420"	394.036318	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+2Na"	45.978436
"621616"	579.559868	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+2Na"	45.978436
"1124028"	208.512768	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2Na"	45.978436
"1407919"	139.344270666667	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H+2Na"	46.985712
"1435662"	418.059846	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H+HCOOH"	47.012746
"221467"	399.06934	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+3H2O+2H"	56.04448
"1509405"	432.11189	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+IsoProp+H"	61.06479
"408975"	402.023288	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+Na+K"	61.952376
"771668"	587.546838	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+Na+K"	61.952376
"1667877"	216.499738	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Na+K"	61.952376
"253305"	806.109968	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+ACN+Na"	64.015768
"1226502"	435.062868	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+ACN+Na"	64.015768
"1714538"	435.086393	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+NH4+HCOOH"	64.039293
"1181346"	146.671584666667	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+3Na"	68.967654
"1653067"	440.041788	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Na+HCOOH"	68.994688
"163935"	819.01324	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+2K-H"	76.91904
"600218"	1190.06034	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+2K-H"	76.91904
"1097740"	447.96614	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2K-H"	76.91904
"155776"	410.010258	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"2M+2K"	77.926316
"593997"	595.533808	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"3M+2K"	77.926316
"1080945"	224.486708	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2K"	77.926316
"1115438"	449.980692	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2K+H"	78.933592
"1346166"	450.068307	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+DMSO+H"	79.021207
"1019314"	454.107476	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2ACN+H"	83.060376
"1538288"	455.101108	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+IsoProp+Na+H"	84.054008
"1004370"	227.557376	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+2ACN+2H"	84.067652
"1601789"	456.015728	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+K+HCOOH"	84.968628
"1428903"	486.047238	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+H+CF3COOH"	115.000138
"1157368"	248.070651	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+3ACN+2H"	125.094202
"1706919"	503.073785	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+NH4+CF3COOH"	132.026685
"1641476"	508.02918	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+Na+CF3COOH"	136.98208
"1572754"	524.00312	"C13852"	"Sipatrigine;BW619C89"	"C15H16Cl3N5"	"371.0471"	"M+K+CF3COOH"	152.95602
"814061"	463.0854	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M"	0
"989418"	444.06701	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-H2O-H"	-19.01839
"75472"	307.716324	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M-3H"	-3.021828
"515395"	462.078124	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M-3H"	-3.021828
"887730"	153.354524	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-3H"	-3.021828
"7398"	462.078124	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M-2H"	-2.014552
"450239"	693.620824	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M-2H"	-2.014552
"819655"	230.535424	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-2H"	-2.014552
"86937"	925.163524	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M-H"	-1.007276
"519328"	1388.248924	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M-H"	-1.007276
"905396"	462.078124	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-H"	-1.007276
"60867"	942.190071	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M-2H+NH4"	16.019271
"499336"	1405.275471	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M-2H+NH4"	16.019271
"876044"	479.104671	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-2H+NH4"	16.019271
"36289"	947.145466	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M-2H+Na"	20.974666
"476941"	1410.230866	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M-2H+Na"	20.974666
"854745"	484.060066	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-2H+Na"	20.974666
"1622091"	484.060066	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Na-2H"	20.974666
"101901"	480.066463	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M-H+Cl"	33.962126
"537086"	711.609163	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M-H+Cl"	33.962126
"931690"	248.523763	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-H+Cl"	33.962126
"268181"	961.140202	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+Cl"	34.969402
"661091"	1424.225602	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+Cl"	34.969402
"1277263"	498.054802	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Cl"	34.969402
"17144"	963.119406	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M-2H+K"	36.948606
"461574"	1426.204806	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M-2H+K"	36.948606
"838279"	500.034006	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-2H+K"	36.948606
"1565058"	500.034006	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+K-2H"	36.948606
"950023"	508.083594	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-H+HCOOH"	44.998194
"367873"	971.169001	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+HCOOH-H"	44.998201
"352121"	985.184651	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+Hac-H"	59.013851
"1495119"	522.099251	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Hac-H"	59.013851
"965944"	530.065551	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-H+NaCOOH"	66.980151
"115216"	498.054802	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+2Cl"	69.938804
"554775"	729.597502	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+2Cl"	69.938804
"1030872"	266.512102	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2Cl"	69.938804
"1244980"	542.004285	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Br"	78.918885
"1316915"	544.060272	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Cl+HCOOH"	80.974872
"1333563"	566.042229	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Cl+NaCOOH"	102.956829
"924011"	576.070986	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M-H+CF3COOH"	112.985586
"1300357"	612.047664	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Cl+CF3COOH"	148.962264
"1379610"	428.072724	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H-2H2O"	-35.012676
"1389452"	446.0827	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H-H2O"	-17.0027
"286585"	927.178076	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+H"	1.007276
"682287"	1390.263476	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+H"	1.007276
"1353896"	464.092676	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H"	1.007276
"127878"	464.092676	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+2H"	2.014552
"570720"	695.635376	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+2H"	2.014552
"1047907"	232.549976	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2H"	2.014552
"211431"	309.730876	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+3H"	3.021828
"652086"	464.092676	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+3H"	3.021828
"1168022"	155.369076	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+3H"	3.021828
"430203"	944.204623	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+NH4"	18.033823
"787916"	1407.290023	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+NH4"	18.033823
"1683154"	481.119223	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+NH4"	18.033823
"331430"	472.6059495	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+H+NH4"	19.041099
"731509"	704.1486495	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+H+NH4"	19.041099
"1483143"	241.0632495	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H+NH4"	19.041099
"395261"	949.160018	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+Na"	22.989218
"767192"	1412.245418	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+Na"	22.989218
"1608729"	486.074618	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Na"	22.989218
"324237"	475.083647	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+H+Na"	23.996494
"715564"	706.626347	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+H+Na"	23.996494
"1472664"	243.540947	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H+Na"	23.996494
"1064818"	162.69639	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2H+Na"	25.00377
"1267591"	496.118886	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+CH3OH+H"	33.033486
"388353"	965.133958	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+K"	38.963158
"750443"	1428.219358	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+K"	38.963158
"1548121"	502.048558	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+K"	38.963158
"305297"	483.070617	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+H+K"	39.970434
"700995"	714.613317	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+H+K"	39.970434
"1451900"	251.527917	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H+K"	39.970434
"243416"	968.204626	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+ACN+H"	42.033826
"1218311"	505.119226	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+ACN+H"	42.033826
"1200006"	253.063251	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+ACN+2H"	43.041102
"192876"	971.14196	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+2Na-H"	44.97116
"641561"	1434.22736	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+2Na-H"	44.97116
"1142519"	508.05656	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2Na-H"	44.97116
"183623"	486.074618	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+2Na"	45.978436
"622090"	717.617318	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+2Na"	45.978436
"1124502"	254.531918	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2Na"	45.978436
"1404750"	170.023704	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H+2Na"	46.985712
"1436139"	510.098146	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H+HCOOH"	47.012746
"222553"	491.10764	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+3H2O+2H"	56.04448
"1509031"	524.15019	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+IsoProp+H"	61.06479
"410303"	494.061588	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+Na+K"	61.952376
"771053"	725.604288	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+Na+K"	61.952376
"1666001"	262.518888	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Na+K"	61.952376
"252444"	990.186568	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+ACN+Na"	64.015768
"1226489"	527.101168	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+ACN+Na"	64.015768
"1713673"	527.124693	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+NH4+HCOOH"	64.039293
"1180004"	177.351018	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+3Na"	68.967654
"1656098"	532.080088	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Na+HCOOH"	68.994688
"160043"	1003.08984	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+2K-H"	76.91904
"604707"	1466.17524	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+2K-H"	76.91904
"1096877"	540.00444	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2K-H"	76.91904
"151883"	502.048558	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"2M+2K"	77.926316
"592535"	733.591258	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"3M+2K"	77.926316
"1079599"	270.505858	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2K"	77.926316
"1113172"	542.018992	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2K+H"	78.933592
"1345183"	542.106607	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+DMSO+H"	79.021207
"1015901"	546.145776	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2ACN+H"	83.060376
"1530743"	547.139408	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+IsoProp+Na+H"	84.054008
"999377"	273.576526	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+2ACN+2H"	84.067652
"1600441"	548.054028	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+K+HCOOH"	84.968628
"1428284"	578.085538	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+H+CF3COOH"	115.000138
"1159669"	294.089801	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+3ACN+2H"	125.094202
"1709218"	595.112085	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+NH4+CF3COOH"	132.026685
"1644868"	600.06748	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+Na+CF3COOH"	136.98208
"1585987"	616.04142	"C13853"	"L 735821"	"C25H19Cl2N3O2"	"463.0854"	"M+K+CF3COOH"	152.95602
"813077"	274.2144	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M"	0
"987340"	255.19601	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-H2O-H"	-19.01839
"72665"	181.802324	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M-3H"	-3.021828
"514412"	273.207124	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M-3H"	-3.021828
"886747"	90.397524	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-3H"	-3.021828
"6414"	273.207124	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M-2H"	-2.014552
"450349"	410.314324	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M-2H"	-2.014552
"818672"	136.099924	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-2H"	-2.014552
"85954"	547.421524	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M-H"	-1.007276
"518952"	821.635924	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M-H"	-1.007276
"904413"	273.207124	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-H"	-1.007276
"60977"	564.448071	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M-2H+NH4"	16.019271
"496166"	838.662471	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M-2H+NH4"	16.019271
"873967"	290.233671	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-2H+NH4"	16.019271
"36399"	569.403466	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M-2H+Na"	20.974666
"475591"	843.617866	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M-2H+Na"	20.974666
"854855"	295.189066	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-2H+Na"	20.974666
"1619648"	295.189066	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Na-2H"	20.974666
"102011"	291.195463	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M-H+Cl"	33.962126
"535494"	428.302663	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M-H+Cl"	33.962126
"930707"	154.088263	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-H+Cl"	33.962126
"268291"	583.398202	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+Cl"	34.969402
"664965"	857.612602	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+Cl"	34.969402
"1276280"	309.183802	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Cl"	34.969402
"16404"	585.377406	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M-2H+K"	36.948606
"459497"	859.591806	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M-2H+K"	36.948606
"838389"	311.163006	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-2H+K"	36.948606
"1565168"	311.163006	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+K-2H"	36.948606
"949768"	319.212594	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-H+HCOOH"	44.998194
"366888"	593.427001	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+HCOOH-H"	44.998201
"352231"	607.442651	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+Hac-H"	59.013851
"1495958"	333.228251	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Hac-H"	59.013851
"966054"	341.194551	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-H+NaCOOH"	66.980151
"117512"	309.183802	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+2Cl"	69.938804
"556342"	446.291002	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+2Cl"	69.938804
"1023317"	172.076602	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2Cl"	69.938804
"1246912"	353.133285	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Br"	78.918885
"1314109"	355.189272	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Cl+HCOOH"	80.974872
"1333792"	377.171229	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Cl+NaCOOH"	102.956829
"923756"	387.199986	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M-H+CF3COOH"	112.985586
"1297186"	423.176664	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Cl+CF3COOH"	148.962264
"1378627"	239.201724	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H-2H2O"	-35.012676
"1386282"	257.2117	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H-H2O"	-17.0027
"285967"	549.436076	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+H"	1.007276
"680575"	823.650476	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+H"	1.007276
"1352912"	275.221676	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H"	1.007276
"126530"	275.221676	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+2H"	2.014552
"566821"	412.328876	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+2H"	2.014552
"1050202"	138.114476	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2H"	2.014552
"211541"	183.816876	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+3H"	3.021828
"654382"	275.221676	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+3H"	3.021828
"1165945"	92.412076	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+3H"	3.021828
"429219"	566.462623	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+NH4"	18.033823
"788026"	840.677023	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+NH4"	18.033823
"1684357"	292.248223	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+NH4"	18.033823
"330812"	283.7349495	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+H+NH4"	19.041099
"731619"	420.8421495	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+H+NH4"	19.041099
"1477906"	146.6277495	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H+NH4"	19.041099
"395371"	571.418018	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+Na"	22.989218
"767302"	845.632418	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+Na"	22.989218
"1608839"	297.203618	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Na"	22.989218
"326533"	286.212647	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+H+Na"	23.996494
"718953"	423.319847	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+H+Na"	23.996494
"1472774"	149.105447	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H+Na"	23.996494
"1066021"	99.73939	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2H+Na"	25.00377
"1268794"	307.247886	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+CH3OH+H"	33.033486
"390286"	587.391958	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+K"	38.963158
"753105"	861.606358	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+K"	38.963158
"1549324"	313.177558	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+K"	38.963158
"306500"	294.199617	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+H+K"	39.970434
"700012"	431.306817	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+H+K"	39.970434
"1451646"	157.092417	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H+K"	39.970434
"244619"	590.462626	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+ACN+H"	42.033826
"1217328"	316.248226	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+ACN+H"	42.033826
"1199023"	158.627751	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+ACN+2H"	43.041102
"191893"	593.39996	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+2Na-H"	44.97116
"641672"	867.61436	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+2Na-H"	44.97116
"1140442"	319.18556	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2Na-H"	44.97116
"185556"	297.203618	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+2Na"	45.978436
"624752"	434.310818	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+2Na"	45.978436
"1125341"	160.096418	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2Na"	45.978436
"1409235"	107.066704	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H+2Na"	46.985712
"1434061"	321.227146	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H+HCOOH"	47.012746
"223756"	302.23664	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+3H2O+2H"	56.04448
"1509263"	335.27919	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+IsoProp+H"	61.06479
"409437"	305.190588	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+Na+K"	61.952376
"770063"	442.297788	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+Na+K"	61.952376
"1665908"	168.083388	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Na+K"	61.952376
"251821"	612.444568	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+ACN+Na"	64.015768
"1225989"	338.230168	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+ACN+Na"	64.015768
"1713662"	338.253693	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+NH4+HCOOH"	64.039293
"1180114"	114.394018	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+3Na"	68.967654
"1656208"	343.209088	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Na+HCOOH"	68.994688
"161246"	625.34784	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+2K-H"	76.91904
"604817"	899.56224	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+2K-H"	76.91904
"1096987"	351.13344	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2K-H"	76.91904
"155633"	313.177558	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"2M+2K"	77.926316
"595682"	450.284758	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"3M+2K"	77.926316
"1082260"	176.070358	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2K"	77.926316
"1114742"	353.147992	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2K+H"	78.933592
"1347478"	353.235607	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+DMSO+H"	79.021207
"1017103"	357.274776	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2ACN+H"	83.060376
"1531946"	358.268408	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+IsoProp+Na+H"	84.054008
"999487"	179.141026	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+2ACN+2H"	84.067652
"1601644"	359.183028	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+K+HCOOH"	84.968628
"1427301"	389.214538	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+H+CF3COOH"	115.000138
"1161601"	199.654301	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+3ACN+2H"	125.094202
"1709328"	406.241085	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+NH4+CF3COOH"	132.026685
"1643885"	411.19648	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+Na+CF3COOH"	136.98208
"1586097"	427.17042	"C13854"	"1-Dodecanoyl-sn-glycerol"	"C15H30O4"	"274.2144"	"M+K+CF3COOH"	152.95602
"812094"	378.277	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M"	0
"986357"	359.25861	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-H2O-H"	-19.01839
"69495"	251.177390666667	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M-3H"	-3.021828
"511242"	377.269724	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M-3H"	-3.021828
"881390"	125.085057333333	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-3H"	-3.021828
"2151"	377.269724	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M-2H"	-2.014552
"446084"	566.408224	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M-2H"	-2.014552
"818782"	188.131224	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-2H"	-2.014552
"78850"	755.546724	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M-H"	-1.007276
"518856"	1133.823724	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M-H"	-1.007276
"904523"	377.269724	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-H"	-1.007276
"59995"	772.573271	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M-2H+NH4"	16.019271
"492996"	1150.850271	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M-2H+NH4"	16.019271
"870796"	394.296271	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-2H+NH4"	16.019271
"33229"	777.528666	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M-2H+Na"	20.974666
"474606"	1155.805666	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M-2H+Na"	20.974666
"851685"	399.251666	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-2H+Na"	20.974666
"1621217"	399.251666	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Na-2H"	20.974666
"102121"	395.258063	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M-H+Cl"	33.962126
"534995"	584.396563	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M-H+Cl"	33.962126
"928267"	206.119563	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-H+Cl"	33.962126
"268281"	791.523402	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+Cl"	34.969402
"662890"	1169.800402	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+Cl"	34.969402
"1274201"	413.246402	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Cl"	34.969402
"16191"	793.502606	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M-2H+K"	36.948606
"459607"	1171.779606	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M-2H+K"	36.948606
"837406"	415.225606	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-2H+K"	36.948606
"1567465"	415.225606	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+K-2H"	36.948606
"948055"	423.275194	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-H+HCOOH"	44.998194
"365176"	801.552201	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+HCOOH-H"	44.998201
"352341"	815.567851	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+Hac-H"	59.013851
"1494975"	437.290851	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Hac-H"	59.013851
"966164"	445.257151	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-H+NaCOOH"	66.980151
"117258"	413.246402	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+2Cl"	69.938804
"556817"	602.384902	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+2Cl"	69.938804
"1024521"	224.107902	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2Cl"	69.938804
"1244835"	457.195885	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Br"	78.918885
"1316043"	459.251872	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Cl+HCOOH"	80.974872
"1332446"	481.233829	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Cl+NaCOOH"	102.956829
"921679"	491.262586	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M-H+CF3COOH"	112.985586
"1298389"	527.239264	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Cl+CF3COOH"	148.962264
"1377644"	343.264324	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H-2H2O"	-35.012676
"1387485"	361.2743	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H-H2O"	-17.0027
"283889"	757.561276	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+H"	1.007276
"678500"	1135.838276	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+H"	1.007276
"1352294"	379.284276	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H"	1.007276
"126638"	379.284276	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+2H"	2.014552
"565791"	568.422776	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+2H"	2.014552
"1044845"	190.145776	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2H"	2.014552
"211651"	253.191942666667	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+3H"	3.021828
"649025"	379.284276	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+3H"	3.021828
"1164962"	127.099609333333	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+3H"	3.021828
"427143"	774.587823	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+NH4"	18.033823
"785863"	1152.864823	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+NH4"	18.033823
"1684467"	396.310823	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+NH4"	18.033823
"330556"	387.7975495	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+H+NH4"	19.041099
"728449"	576.9360495	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+H+NH4"	19.041099
"1478016"	198.6590495	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H+NH4"	19.041099
"394388"	779.543218	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+Na"	22.989218
"765226"	1157.820218	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+Na"	22.989218
"1605669"	401.266218	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Na"	22.989218
"326280"	390.275247	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+H+Na"	23.996494
"716876"	579.413747	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+H+Na"	23.996494
"1471062"	201.136747	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H+Na"	23.996494
"1065039"	134.426923333333	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2H+Na"	25.00377
"1268539"	411.310486	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+CH3OH+H"	33.033486
"387116"	795.517158	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+K"	38.963158
"749934"	1173.794158	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+K"	38.963158
"1548341"	417.240158	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+K"	38.963158
"307338"	398.262217	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+H+K"	39.970434
"700122"	587.400717	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+H+K"	39.970434
"1448475"	209.123717	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H+K"	39.970434
"239628"	798.587826	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+ACN+H"	42.033826
"1215252"	420.310826	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+ACN+H"	42.033826
"1198040"	210.659051	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+ACN+2H"	43.041102
"190910"	801.52516	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+2Na-H"	44.97116
"640688"	1179.80216	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+2Na-H"	44.97116
"1140552"	423.24816	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2Na-H"	44.97116
"185304"	401.266218	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+2Na"	45.978436
"621946"	590.404718	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+2Na"	45.978436
"1125087"	212.127718	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2Na"	45.978436
"1409345"	141.754237333333	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H+2Na"	46.985712
"1431376"	425.289746	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H+HCOOH"	47.012746
"221679"	406.29924	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+3H2O+2H"	56.04448
"1508555"	439.34179	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+IsoProp+H"	61.06479
"409059"	409.253188	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+Na+K"	61.952376
"770293"	598.391688	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+Na+K"	61.952376
"1666751"	220.114688	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Na+K"	61.952376
"253270"	820.569768	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+ACN+Na"	64.015768
"1227435"	442.292768	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+ACN+Na"	64.015768
"1712838"	442.316293	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+NH4+HCOOH"	64.039293
"1178761"	149.081551333333	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+3Na"	68.967654
"1656318"	447.271688	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Na+HCOOH"	68.994688
"160992"	833.47304	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+2K-H"	76.91904
"604927"	1211.75004	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+2K-H"	76.91904
"1099165"	455.19604	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2K-H"	76.91904
"155742"	417.240158	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"2M+2K"	77.926316
"596398"	606.378658	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"3M+2K"	77.926316
"1083094"	228.101658	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2K"	77.926316
"1114603"	457.210592	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2K+H"	78.933592
"1347588"	457.298207	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+DMSO+H"	79.021207
"1017213"	461.337376	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2ACN+H"	83.060376
"1530963"	462.331008	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+IsoProp+Na+H"	84.054008
"999597"	231.172326	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+2ACN+2H"	84.067652
"1600661"	463.245628	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+K+HCOOH"	84.968628
"1427411"	493.277138	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+H+CF3COOH"	115.000138
"1161711"	251.685601	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+3ACN+2H"	125.094202
"1709438"	510.303685	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+NH4+CF3COOH"	132.026685
"1643995"	515.25908	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+Na+CF3COOH"	136.98208
"1586207"	531.23302	"C13856"	"2-Arachidonoylglycerol;2-Arachidonoyl-sn-glycerol;2-AG"	"C23H38O4"	"378.277"	"M+K+CF3COOH"	152.95602
"812205"	378.277	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M"	0
"986102"	359.25861	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-H2O-H"	-19.01839
"72887"	251.177390666667	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M-3H"	-3.021828
"506980"	377.269724	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M-3H"	-3.021828
"881498"	125.085057333333	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-3H"	-3.021828
"477"	377.269724	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M-2H"	-2.014552
"446196"	566.408224	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M-2H"	-2.014552
"819623"	188.131224	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-2H"	-2.014552
"87269"	755.546724	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M-H"	-1.007276
"519779"	1133.823724	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M-H"	-1.007276
"904633"	377.269724	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-H"	-1.007276
"58285"	772.573271	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M-2H+NH4"	16.019271
"490919"	1150.850271	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M-2H+NH4"	16.019271
"874186"	394.296271	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-2H+NH4"	16.019271
"39900"	777.528666	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M-2H+Na"	20.974666
"477272"	1155.805666	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M-2H+Na"	20.974666
"851793"	399.251666	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-2H+Na"	20.974666
"1622420"	399.251666	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Na-2H"	20.974666
"102231"	395.258063	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M-H+Cl"	33.962126
"534864"	584.396563	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M-H+Cl"	33.962126
"927651"	206.119563	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-H+Cl"	33.962126
"270581"	791.523402	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+Cl"	34.969402
"666281"	1169.800402	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+Cl"	34.969402
"1276498"	413.246402	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Cl"	34.969402
"20153"	793.502606	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M-2H+K"	36.948606
"458622"	1171.779606	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M-2H+K"	36.948606
"833505"	415.225606	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-2H+K"	36.948606
"1563197"	415.225606	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+K-2H"	36.948606
"948893"	423.275194	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-H+HCOOH"	44.998194
"366016"	801.552201	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+HCOOH-H"	44.998201
"348807"	815.567851	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+Hac-H"	59.013851
"1494721"	437.290851	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Hac-H"	59.013851
"964089"	445.257151	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-H+NaCOOH"	66.980151
"116275"	413.246402	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+2Cl"	69.938804
"555834"	602.384902	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+2Cl"	69.938804
"1024631"	224.107902	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2Cl"	69.938804
"1244945"	457.195885	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Br"	78.918885
"1316517"	459.251872	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Cl+HCOOH"	80.974872
"1331827"	481.233829	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Cl+NaCOOH"	102.956829
"921789"	491.262586	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M-H+CF3COOH"	112.985586
"1299593"	527.239264	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Cl+CF3COOH"	148.962264
"1379941"	343.264324	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H-2H2O"	-35.012676
"1388689"	361.2743	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H-H2O"	-17.0027
"286188"	757.561276	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+H"	1.007276
"678610"	1135.838276	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+H"	1.007276
"1352040"	379.284276	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H"	1.007276
"126504"	379.284276	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+2H"	2.014552
"568500"	568.422776	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+2H"	2.014552
"1044954"	190.145776	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2H"	2.014552
"211761"	253.191942666667	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+3H"	3.021828
"646947"	379.284276	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+3H"	3.021828
"1165072"	127.099609333333	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+3H"	3.021828
"429438"	774.587823	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+NH4"	18.033823
"786299"	1152.864823	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+NH4"	18.033823
"1684577"	396.310823	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+NH4"	18.033823
"332125"	387.7975495	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+H+NH4"	19.041099
"723577"	576.9360495	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+H+NH4"	19.041099
"1477761"	198.6590495	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H+NH4"	19.041099
"394132"	779.543218	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+Na"	22.989218
"762055"	1157.820218	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+Na"	22.989218
"1614896"	401.266218	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Na"	22.989218
"326878"	390.275247	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+H+Na"	23.996494
"718081"	579.413747	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+H+Na"	23.996494
"1471540"	201.136747	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H+Na"	23.996494
"1061868"	134.426923333333	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2H+Na"	25.00377
"1268652"	411.310486	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+CH3OH+H"	33.033486
"388320"	795.517158	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+K"	38.963158
"750408"	1173.794158	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+K"	38.963158
"1545169"	417.240158	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+K"	38.963158
"303439"	398.262217	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+H+K"	39.970434
"698046"	587.400717	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+H+K"	39.970434
"1447126"	209.123717	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H+K"	39.970434
"239738"	798.587826	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+ACN+H"	42.033826
"1214269"	420.310826	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+ACN+H"	42.033826
"1198150"	210.659051	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+ACN+2H"	43.041102
"189926"	801.52516	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+2Na-H"	44.97116
"641162"	1179.80216	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+2Na-H"	44.97116
"1143219"	423.24816	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2Na-H"	44.97116
"184683"	401.266218	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+2Na"	45.978436
"622420"	590.404718	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+2Na"	45.978436
"1125561"	212.127718	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2Na"	45.978436
"1407267"	141.754237333333	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H+2Na"	46.985712
"1433553"	425.289746	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H+HCOOH"	47.012746
"220490"	406.29924	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+3H2O+2H"	56.04448
"1508588"	439.34179	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+IsoProp+H"	61.06479
"408930"	409.253188	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+Na+K"	61.952376
"769973"	598.391688	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+Na+K"	61.952376
"1665881"	220.114688	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Na+K"	61.952376
"251590"	820.569768	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+ACN+Na"	64.015768
"1226332"	442.292768	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+ACN+Na"	64.015768
"1712720"	442.316293	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+NH4+HCOOH"	64.039293
"1179359"	149.081551333333	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+3Na"	68.967654
"1656428"	447.271688	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Na+HCOOH"	68.994688
"168757"	833.47304	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+2K-H"	76.91904
"605037"	1211.75004	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+2K-H"	76.91904
"1098060"	455.19604	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2K-H"	76.91904
"152940"	417.240158	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"2M+2K"	77.926316
"594686"	606.378658	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"3M+2K"	77.926316
"1080293"	228.101658	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2K"	77.926316
"1113502"	457.210592	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2K+H"	78.933592
"1348427"	457.298207	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+DMSO+H"	79.021207
"1019143"	461.337376	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2ACN+H"	83.060376
"1531073"	462.331008	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+IsoProp+Na+H"	84.054008
"997522"	231.172326	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+2ACN+2H"	84.067652
"1598585"	463.245628	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+K+HCOOH"	84.968628
"1423151"	493.277138	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+H+CF3COOH"	115.000138
"1161094"	251.685601	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+3ACN+2H"	125.094202
"1709184"	510.303685	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+NH4+CF3COOH"	132.026685
"1647386"	515.25908	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+Na+CF3COOH"	136.98208
"1576475"	531.23302	"C13857"	"1-Arachidonoylglycerol;1-Arachidonoyl-sn-glycerol"	"C23H38O4"	"378.277"	"M+K+CF3COOH"	152.95602
"813408"	344.329	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M"	0
"983660"	325.31061	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-H2O-H"	-19.01839
"68623"	228.545390666667	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M-3H"	-3.021828
"507090"	343.321724	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M-3H"	-3.021828
"882701"	113.769057333333	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-3H"	-3.021828
"544"	343.321724	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M-2H"	-2.014552
"445212"	515.486224	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M-2H"	-2.014552
"819733"	171.157224	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-2H"	-2.014552
"87379"	687.650724	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M-H"	-1.007276
"520378"	1031.979724	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M-H"	-1.007276
"899273"	343.321724	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-H"	-1.007276
"60216"	704.677271	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M-2H+NH4"	16.019271
"491029"	1049.006271	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M-2H+NH4"	16.019271
"875389"	360.348271	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-2H+NH4"	16.019271
"43290"	709.632666	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M-2H+Na"	20.974666
"477382"	1053.961666	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M-2H+Na"	20.974666
"855183"	365.303666	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-2H+Na"	20.974666
"1623624"	365.303666	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Na-2H"	20.974666
"102341"	361.310063	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M-H+Cl"	33.962126
"536433"	533.474563	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M-H+Cl"	33.962126
"933228"	189.145563	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-H+Cl"	33.962126
"269961"	723.627402	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+Cl"	34.969402
"667486"	1067.956402	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+Cl"	34.969402
"1279890"	379.298402	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Cl"	34.969402
"24638"	725.606606	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M-2H+K"	36.948606
"457756"	1069.935606	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M-2H+K"	36.948606
"836532"	381.277606	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-2H+K"	36.948606
"1561121"	381.277606	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+K-2H"	36.948606
"945359"	389.327194	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-H+HCOOH"	44.998194
"367220"	733.656201	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+HCOOH-H"	44.998201
"354384"	747.671851	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+Hac-H"	59.013851
"1495195"	403.342851	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Hac-H"	59.013851
"967478"	411.309151	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-H+NaCOOH"	66.980151
"116385"	379.298402	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+2Cl"	69.938804
"553756"	551.462902	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+2Cl"	69.938804
"1022917"	207.133902	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2Cl"	69.938804
"1246878"	423.247885	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Br"	78.918885
"1315161"	425.303872	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Cl+HCOOH"	80.974872
"1330480"	447.285829	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Cl+NaCOOH"	102.956829
"922993"	457.314586	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M-H+CF3COOH"	112.985586
"1297516"	493.291264	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Cl+CF3COOH"	148.962264
"1378958"	309.316324	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H-2H2O"	-35.012676
"1394995"	327.3263	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H-H2O"	-17.0027
"291765"	689.665276	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+H"	1.007276
"681999"	1033.994276	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+H"	1.007276
"1353973"	345.336276	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H"	1.007276
"126128"	345.336276	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+2H"	2.014552
"567516"	517.500776	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+2H"	2.014552
"1038989"	173.171776	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2H"	2.014552
"204822"	230.559942666667	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+3H"	3.021828
"647178"	345.336276	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+3H"	3.021828
"1164452"	115.783609333333	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+3H"	3.021828
"425047"	706.691823	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+NH4"	18.033823
"786531"	1051.020823	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+NH4"	18.033823
"1681684"	362.362823	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+NH4"	18.033823
"331504"	353.8495495	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+H+NH4"	19.041099
"723444"	526.0140495	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+H+NH4"	19.041099
"1477625"	181.6850495	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H+NH4"	19.041099
"394242"	711.647218	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+Na"	22.989218
"754995"	1055.976218	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+Na"	22.989218
"1604184"	367.318218	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Na"	22.989218
"315556"	356.327247	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+H+Na"	23.996494
"710534"	528.491747	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+H+Na"	23.996494
"1472010"	184.162747	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H+Na"	23.996494
"1065987"	123.110923333333	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2H+Na"	25.00377
"1266935"	377.362486	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+CH3OH+H"	33.033486
"377974"	727.621158	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+K"	38.963158
"752340"	1071.950158	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+K"	38.963158
"1549652"	383.292158	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+K"	38.963158
"307922"	364.314217	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+H+K"	39.970434
"699249"	536.478717	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+H+K"	39.970434
"1446507"	192.149717	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H+K"	39.970434
"239484"	730.691826	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+ACN+H"	42.033826
"1214379"	386.362826	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+ACN+H"	42.033826
"1198263"	193.685051	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+ACN+2H"	43.041102
"192224"	733.62916	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+2Na-H"	44.97116
"642245"	1077.95816	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+2Na-H"	44.97116
"1145395"	389.30016	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2Na-H"	44.97116
"182971"	367.318218	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+2Na"	45.978436
"622531"	539.482718	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+2Na"	45.978436
"1126035"	195.153718	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2Na"	45.978436
"1404091"	130.438237333333	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H+2Na"	46.985712
"1430739"	391.341746	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H+HCOOH"	47.012746
"222628"	372.35124	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+3H2O+2H"	56.04448
"1512876"	405.39379	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+IsoProp+H"	61.06479
"410378"	375.305188	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+Na+K"	61.952376
"770398"	547.469688	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+Na+K"	61.952376
"1667702"	203.140688	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Na+K"	61.952376
"252035"	752.673768	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+ACN+Na"	64.015768
"1229116"	408.344768	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+ACN+Na"	64.015768
"1715818"	408.368293	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+NH4+HCOOH"	64.039293
"1182265"	137.765551333333	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+3Na"	68.967654
"1659818"	413.323688	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Na+HCOOH"	68.994688
"171054"	765.57704	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+2K-H"	76.91904
"608427"	1109.90604	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+2K-H"	76.91904
"1097929"	421.24804	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2K-H"	76.91904
"153045"	383.292158	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"2M+2K"	77.926316
"589329"	555.456658	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"3M+2K"	77.926316
"1080398"	211.127658	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2K"	77.926316
"1111059"	423.262592	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2K+H"	78.933592
"1343436"	423.350207	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+DMSO+H"	79.021207
"1014153"	427.389376	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2ACN+H"	83.060376
"1530089"	428.383008	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+IsoProp+Na+H"	84.054008
"994351"	214.198326	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+2ACN+2H"	84.067652
"1596507"	429.297628	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+K+HCOOH"	84.968628
"1419981"	459.329138	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+H+CF3COOH"	115.000138
"1161204"	234.711601	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+3ACN+2H"	125.094202
"1709294"	476.355685	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+NH4+CF3COOH"	132.026685
"1647496"	481.31108	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+Na+CF3COOH"	136.98208
"1576585"	497.28502	"C13858"	"1-O-Octadecyl-sn-glycerol;1-O-Octadecylglycerol;Batyl alcohol;Glycerol octadecyl ether"	"C21H44O3"	"344.329"	"M+K+CF3COOH"	152.95602
"813518"	316.2977	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M"	0
"983770"	297.27931	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-H2O-H"	-19.01839
"66547"	209.857857333333	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M-3H"	-3.021828
"503920"	315.290424	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M-3H"	-3.021828
"882811"	104.425290666667	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-3H"	-3.021828
"2479"	315.290424	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M-2H"	-2.014552
"445323"	473.439274	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M-2H"	-2.014552
"818750"	157.141574	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-2H"	-2.014552
"86396"	631.588124	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M-H"	-1.007276
"520488"	947.885824	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M-H"	-1.007276
"898654"	315.290424	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-H"	-1.007276
"60689"	648.614671	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M-2H+NH4"	16.019271
"493327"	964.912371	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M-2H+NH4"	16.019271
"874406"	332.316971	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-2H+NH4"	16.019271
"43400"	653.570066	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M-2H+Na"	20.974666
"478585"	969.867766	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M-2H+Na"	20.974666
"858573"	337.272366	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-2H+Na"	20.974666
"1620816"	337.272366	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Na-2H"	20.974666
"96981"	333.278763	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M-H+Cl"	33.962126
"535811"	491.427613	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M-H+Cl"	33.962126
"930057"	175.129913	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-H+Cl"	33.962126
"272258"	667.564802	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+Cl"	34.969402
"668688"	983.862502	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+Cl"	34.969402
"1278906"	351.267102	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Cl"	34.969402
"24748"	669.544006	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M-2H+K"	36.948606
"461025"	985.841706	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M-2H+K"	36.948606
"837004"	353.246306	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-2H+K"	36.948606
"1562326"	353.246306	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+K-2H"	36.948606
"952395"	361.295894	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-H+HCOOH"	44.998194
"371704"	677.593601	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+HCOOH-H"	44.998201
"354494"	691.609251	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+Hac-H"	59.013851
"1494576"	375.311551	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Hac-H"	59.013851
"967588"	383.277851	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-H+NaCOOH"	66.980151
"116495"	351.267102	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+2Cl"	69.938804
"552044"	509.415952	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+2Cl"	69.938804
"1023149"	193.118252	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2Cl"	69.938804
"1247352"	395.216585	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Br"	78.918885
"1307613"	397.272572	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Cl+HCOOH"	80.974872
"1334234"	419.254529	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Cl+NaCOOH"	102.956829
"924197"	429.283286	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M-H+CF3COOH"	112.985586
"1302001"	465.259964	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Cl+CF3COOH"	148.962264
"1381257"	281.285024	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H-2H2O"	-35.012676
"1396563"	299.295	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H-H2O"	-17.0027
"294061"	633.602676	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+H"	1.007276
"684296"	949.900376	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+H"	1.007276
"1357363"	317.304976	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H"	1.007276
"126603"	317.304976	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+2H"	2.014552
"567626"	475.453826	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+2H"	2.014552
"1038614"	159.156126	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2H"	2.014552
"205416"	211.872409333333	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+3H"	3.021828
"644412"	317.304976	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+3H"	3.021828
"1164196"	106.439842666667	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+3H"	3.021828
"425281"	650.629223	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+NH4"	18.033823
"787124"	966.926923	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+NH4"	18.033823
"1682238"	334.331523	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+NH4"	18.033823
"331979"	325.8182495	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+H+NH4"	19.041099
"723189"	483.9670995	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+H+NH4"	19.041099
"1477154"	167.6693995	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H+NH4"	19.041099
"393622"	655.584618	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+Na"	22.989218
"757901"	971.882318	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+Na"	22.989218
"1604535"	339.286918	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Na"	22.989218
"316760"	328.295947	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+H+Na"	23.996494
"709551"	486.444797	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+H+Na"	23.996494
"1466653"	170.147097	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H+Na"	23.996494
"1066461"	113.767156666667	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2H+Na"	25.00377
"1263764"	349.331186	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+CH3OH+H"	33.033486
"380149"	671.558558	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+K"	38.963158
"752083"	987.856258	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+K"	38.963158
"1545388"	355.260858	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+K"	38.963158
"301103"	336.282917	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+H+K"	39.970434
"692304"	494.431767	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+H+K"	39.970434
"1447340"	178.134067	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H+K"	39.970434
"238861"	674.629226	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+ACN+H"	42.033826
"1214489"	358.331526	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+ACN+H"	42.033826
"1198373"	179.669401	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+ACN+2H"	43.041102
"191605"	677.56656	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+2Na-H"	44.97116
"639556"	993.86426	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+2Na-H"	44.97116
"1144533"	361.26886	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2Na-H"	44.97116
"185632"	339.286918	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+2Na"	45.978436
"623734"	497.435768	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+2Na"	45.978436
"1125052"	181.138068	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2Na"	45.978436
"1404201"	121.094470666667	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H+2Na"	46.985712
"1431091"	363.310446	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H+HCOOH"	47.012746
"222000"	344.31994	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+3H2O+2H"	56.04448
"1510800"	377.36249	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+IsoProp+H"	61.06479
"408610"	347.273888	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+Na+K"	61.952376
"770384"	505.422738	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+Na+K"	61.952376
"1666106"	189.125038	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Na+K"	61.952376
"252383"	696.611168	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+ACN+Na"	64.015768
"1228133"	380.313468	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+ACN+Na"	64.015768
"1714099"	380.336993	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+NH4+HCOOH"	64.039293
"1180548"	128.421784666667	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+3Na"	68.967654
"1652266"	385.292388	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Na+HCOOH"	68.994688
"162415"	709.51444	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+2K-H"	76.91904
"599059"	1025.81214	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+2K-H"	76.91904
"1097426"	393.21674	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2K-H"	76.91904
"152428"	355.260858	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"2M+2K"	77.926316
"593446"	513.409708	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"3M+2K"	77.926316
"1081967"	197.112008	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2K"	77.926316
"1112628"	395.231292	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2K+H"	78.933592
"1347553"	395.318907	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+DMSO+H"	79.021207
"1014992"	399.358076	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2ACN+H"	83.060376
"1526919"	400.351708	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+IsoProp+Na+H"	84.054008
"994461"	200.182676	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+2ACN+2H"	84.067652
"1597711"	401.266328	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+K+HCOOH"	84.968628
"1418998"	431.297838	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+H+CF3COOH"	115.000138
"1161678"	220.695951	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+3ACN+2H"	125.094202
"1707581"	448.324385	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+NH4+CF3COOH"	132.026685
"1646513"	453.27978	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+Na+CF3COOH"	136.98208
"1576695"	469.25372	"C13859"	"1-O-Hexadecyl-sn-glycerol;1-O-Hexadecylglycerol;Chimyl alcohol;Glycerol hexadecyl ether"	"C19H40O3"	"316.2977"	"M+K+CF3COOH"	152.95602
"813628"	342.3134	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M"	0
"980600"	323.29501	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-H2O-H"	-19.01839
"67749"	227.201657333333	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M-3H"	-3.021828
"505123"	341.306124	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M-3H"	-3.021828
"881097"	113.097190666667	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-3H"	-3.021828
"1496"	341.306124	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M-2H"	-2.014552
"443244"	512.462824	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M-2H"	-2.014552
"819953"	170.149424	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-2H"	-2.014552
"86506"	683.619524	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M-H"	-1.007276
"520598"	1025.932924	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M-H"	-1.007276
"898034"	341.306124	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-H"	-1.007276
"57153"	700.646071	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M-2H+NH4"	16.019271
"490156"	1042.959471	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M-2H+NH4"	16.019271
"876702"	358.332671	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-2H+NH4"	16.019271
"39136"	705.601466	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M-2H+Na"	20.974666
"477601"	1047.914866	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M-2H+Na"	20.974666
"852122"	363.288066	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-2H+Na"	20.974666
"1620317"	363.288066	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Na-2H"	20.974666
"95264"	359.294463	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M-H+Cl"	33.962126
"536648"	530.451163	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M-H+Cl"	33.962126
"930528"	188.137763	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-H+Cl"	33.962126
"270177"	719.596202	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+Cl"	34.969402
"661507"	1061.909602	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+Cl"	34.969402
"1273548"	377.282802	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Cl"	34.969402
"21578"	721.575406	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M-2H+K"	36.948606
"458216"	1063.888806	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M-2H+K"	36.948606
"840030"	379.262006	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-2H+K"	36.948606
"1558054"	379.262006	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+K-2H"	36.948606
"951412"	387.311594	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-H+HCOOH"	44.998194
"371450"	729.625001	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+HCOOH-H"	44.998201
"354604"	743.640651	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+Hac-H"	59.013851
"1495777"	401.327251	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Hac-H"	59.013851
"967698"	409.293551	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-H+NaCOOH"	66.980151
"116605"	377.282802	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+2Cl"	69.938804
"552518"	548.439502	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+2Cl"	69.938804
"1022894"	206.126102	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2Cl"	69.938804
"1247097"	421.232285	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Br"	78.918885
"1310639"	423.288272	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Cl+HCOOH"	80.974872
"1333611"	445.270229	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Cl+NaCOOH"	102.956829
"926251"	455.298986	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M-H+CF3COOH"	112.985586
"1302473"	491.275664	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Cl+CF3COOH"	148.962264
"1381728"	307.300724	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H-2H2O"	-35.012676
"1394482"	325.3107	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H-H2O"	-17.0027
"289794"	685.634076	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+H"	1.007276
"677840"	1027.947476	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+H"	1.007276
"1357471"	343.320676	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H"	1.007276
"126220"	343.320676	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+2H"	2.014552
"566641"	514.477376	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+2H"	2.014552
"1040907"	172.163976	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2H"	2.014552
"205157"	229.216209333333	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+3H"	3.021828
"644601"	343.320676	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+3H"	3.021828
"1164061"	115.111742666667	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+3H"	3.021828
"425753"	702.660623	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+NH4"	18.033823
"788208"	1044.974023	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+NH4"	18.033823
"1681740"	360.347223	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+NH4"	18.033823
"332452"	351.8339495	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+H+NH4"	19.041099
"724149"	522.9906495	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+H+NH4"	19.041099
"1477603"	180.6772495	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H+NH4"	19.041099
"393608"	707.616018	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+Na"	22.989218
"756917"	1049.929418	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+Na"	22.989218
"1603186"	365.302618	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Na"	22.989218
"315899"	354.311647	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+H+Na"	23.996494
"709661"	525.468347	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+H+Na"	23.996494
"1465669"	183.154947	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H+Na"	23.996494
"1063291"	122.439056666667	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2H+Na"	25.00377
"1263873"	375.346886	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+CH3OH+H"	33.033486
"379531"	723.589958	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+K"	38.963158
"745632"	1065.903358	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+K"	38.963158
"1543674"	381.276558	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+K"	38.963158
"299754"	362.298617	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+H+K"	39.970434
"692781"	533.455317	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+H+K"	39.970434
"1446032"	191.141917	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H+K"	39.970434
"236173"	726.660626	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+ACN+H"	42.033826
"1213506"	384.347226	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+ACN+H"	42.033826
"1198482"	192.677251	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+ACN+2H"	43.041102
"194632"	729.59796	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+2Na-H"	44.97116
"635292"	1071.91136	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+2Na-H"	44.97116
"1145006"	387.28456	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2Na-H"	44.97116
"185742"	365.302618	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+2Na"	45.978436
"624937"	536.459318	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+2Na"	45.978436
"1125162"	194.145918	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2Na"	45.978436
"1403218"	129.766370666667	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H+2Na"	46.985712
"1432052"	389.326146	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H+HCOOH"	47.012746
"222474"	370.33564	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+3H2O+2H"	56.04448
"1515283"	403.37819	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+IsoProp+H"	61.06479
"410598"	373.289588	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+Na+K"	61.952376
"771590"	544.446288	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+Na+K"	61.952376
"1667186"	202.132888	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Na+K"	61.952376
"254072"	748.642568	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+ACN+Na"	64.015768
"1229333"	406.329168	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+ACN+Na"	64.015768
"1714208"	406.352693	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+NH4+HCOOH"	64.039293
"1180657"	137.093684666667	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+3Na"	68.967654
"1653102"	411.308088	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Na+HCOOH"	68.994688
"162524"	761.54584	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+2K-H"	76.91904
"600991"	1103.85924	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+2K-H"	76.91904
"1096442"	419.23244	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2K-H"	76.91904
"154359"	381.276558	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"2M+2K"	77.926316
"592463"	552.433258	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"3M+2K"	77.926316
"1080983"	210.119858	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2K"	77.926316
"1112737"	421.246992	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2K+H"	78.933592
"1346934"	421.334607	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+DMSO+H"	79.021207
"1016558"	425.373776	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2ACN+H"	83.060376
"1532496"	426.367408	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+IsoProp+Na+H"	84.054008
"994571"	213.190526	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+2ACN+2H"	84.067652
"1596727"	427.282028	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+K+HCOOH"	84.968628
"1419107"	457.313538	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+H+CF3COOH"	115.000138
"1161058"	233.703801	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+3ACN+2H"	125.094202
"1706598"	474.340085	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+NH4+CF3COOH"	132.026685
"1647716"	479.29548	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+Na+CF3COOH"	136.98208
"1576805"	495.26942	"C13860"	"1-O-Octadec-9-enyl glycerol;Selachyl alcohol"	"C21H42O3"	"342.3134"	"M+K+CF3COOH"	152.95602
"813738"	594.5223	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M"	0
"983990"	575.50391	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-H2O-H"	-19.01839
"70045"	395.340924	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M-3H"	-3.021828
"507419"	593.515024	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M-3H"	-3.021828
"883031"	197.166824	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-3H"	-3.021828
"1606"	593.515024	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M-2H"	-2.014552
"444447"	890.776174	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M-2H"	-2.014552
"817875"	296.253874	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-2H"	-2.014552
"88803"	1188.037324	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M-H"	-1.007276
"519979"	1782.559624	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M-H"	-1.007276
"899604"	593.515024	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-H"	-1.007276
"57261"	1205.063871	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M-2H+NH4"	16.019271
"496825"	1799.586171	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M-2H+NH4"	16.019271
"876812"	610.541571	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-2H+NH4"	16.019271
"42526"	1210.019266	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M-2H+Na"	20.974666
"484272"	1804.541566	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M-2H+Na"	20.974666
"858793"	615.496966	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-2H+Na"	20.974666
"1623953"	615.496966	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Na-2H"	20.974666
"96835"	611.503363	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M-H+Cl"	33.962126
"536762"	908.764513	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M-H+Cl"	33.962126
"930275"	314.242213	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-H+Cl"	33.962126
"276486"	1224.014002	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+Cl"	34.969402
"666723"	1818.536302	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+Cl"	34.969402
"1281316"	629.491702	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Cl"	34.969402
"21687"	1225.993206	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M-2H+K"	36.948606
"457964"	1820.515506	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M-2H+K"	36.948606
"840140"	631.470906	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-2H+K"	36.948606
"1557071"	631.470906	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+K-2H"	36.948606
"944591"	639.520494	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-H+HCOOH"	44.998194
"361829"	1234.042801	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+HCOOH-H"	44.998201
"353621"	1248.058451	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+Hac-H"	59.013851
"1495887"	653.536151	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Hac-H"	59.013851
"966715"	661.502451	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-H+NaCOOH"	66.980151
"116715"	629.491702	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+2Cl"	69.938804
"555544"	926.752852	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+2Cl"	69.938804
"1024340"	332.230552	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2Cl"	69.938804
"1247207"	673.441185	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Br"	78.918885
"1310749"	675.497172	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Cl+HCOOH"	80.974872
"1332991"	697.479129	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Cl+NaCOOH"	102.956829
"926972"	707.507886	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M-H+CF3COOH"	112.985586
"1298934"	743.484564	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Cl+CF3COOH"	148.962264
"1382204"	559.509624	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H-2H2O"	-35.012676
"1394592"	577.5196	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H-H2O"	-17.0027
"288811"	1190.051876	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+H"	1.007276
"679408"	1784.574176	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+H"	1.007276
"1357581"	595.529576	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H"	1.007276
"127183"	595.529576	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+2H"	2.014552
"566506"	892.790726	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+2H"	2.014552
"1039924"	298.268426	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2H"	2.014552
"204906"	397.355476	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+3H"	3.021828
"644588"	595.529576	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+3H"	3.021828
"1164780"	199.181376	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+3H"	3.021828
"424771"	1207.078423	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+NH4"	18.033823
"786131"	1801.600723	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+NH4"	18.033823
"1686107"	612.556123	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+NH4"	18.033823
"336574"	604.0428495	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+H+NH4"	19.041099
"724626"	901.3039995	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+H+NH4"	19.041099
"1477267"	306.7816995	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H+NH4"	19.041099
"393027"	1212.033818	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+Na"	22.989218
"755934"	1806.556118	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+Na"	22.989218
"1602766"	617.511518	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Na"	22.989218
"315158"	606.520547	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+H+Na"	23.996494
"711958"	903.781697	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+H+Na"	23.996494
"1465779"	309.259397	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H+Na"	23.996494
"1063401"	206.50869	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2H+Na"	25.00377
"1262890"	627.555786	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+CH3OH+H"	33.033486
"380370"	1228.007758	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+K"	38.963158
"746835"	1822.530058	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+K"	38.963158
"1541596"	633.485458	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+K"	38.963158
"299498"	614.507517	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+H+K"	39.970434
"692646"	911.768667	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+H+K"	39.970434
"1448289"	317.246367	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H+K"	39.970434
"238350"	1231.078426	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+ACN+H"	42.033826
"1212885"	636.556126	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+ACN+H"	42.033826
"1198596"	318.781701	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+ACN+2H"	43.041102
"193651"	1234.01576	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+2Na-H"	44.97116
"635402"	1828.53806	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+2Na-H"	44.97116
"1146912"	639.49346	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2Na-H"	44.97116
"186946"	617.511518	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+2Na"	45.978436
"625047"	914.772668	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+2Na"	45.978436
"1125272"	320.250368	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2Na"	45.978436
"1406608"	213.836004	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H+2Na"	46.985712
"1431433"	641.535046	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H+HCOOH"	47.012746
"225136"	622.54454	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+3H2O+2H"	56.04448
"1509921"	655.58709	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+IsoProp+H"	61.06479
"411802"	625.498488	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+Na+K"	61.952376
"774982"	922.759638	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+Na+K"	61.952376
"1671313"	328.237338	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Na+K"	61.952376
"252728"	1253.060368	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+ACN+Na"	64.015768
"1229448"	658.538068	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+ACN+Na"	64.015768
"1714319"	658.561593	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+NH4+HCOOH"	64.039293
"1181499"	221.163318	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+3Na"	68.967654
"1651758"	663.516988	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Na+HCOOH"	68.994688
"165914"	1265.96364	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+2K-H"	76.91904
"604383"	1860.48594	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+2K-H"	76.91904
"1097645"	671.44134	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2K-H"	76.91904
"152647"	633.485458	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"2M+2K"	77.926316
"593667"	930.746608	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"3M+2K"	77.926316
"1081093"	336.224308	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2K"	77.926316
"1108475"	673.455892	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2K+H"	78.933592
"1343764"	673.543507	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+DMSO+H"	79.021207
"1015574"	677.582676	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2ACN+H"	83.060376
"1531512"	678.576308	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+IsoProp+Na+H"	84.054008
"994681"	339.294976	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+2ACN+2H"	84.067652
"1597930"	679.490928	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+K+HCOOH"	84.968628
"1419218"	709.522438	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+H+CF3COOH"	115.000138
"1161168"	359.808251	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+3ACN+2H"	125.094202
"1706708"	726.548985	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+NH4+CF3COOH"	132.026685
"1647826"	731.50438	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+Na+CF3COOH"	136.98208
"1576915"	747.47832	"C13861"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H70O5"	"594.5223"	"M+K+CF3COOH"	152.95602
"813848"	580.5431	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M"	0
"980820"	561.52471	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-H2O-H"	-19.01839
"69062"	386.021457333333	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M-3H"	-3.021828
"505707"	579.535824	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M-3H"	-3.021828
"881683"	192.507090666667	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-3H"	-3.021828
"2809"	579.535824	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M-2H"	-2.014552
"441642"	869.807374	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M-2H"	-2.014552
"820173"	289.264274	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-2H"	-2.014552
"85633"	1160.078924	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M-H"	-1.007276
"519036"	1740.622024	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M-H"	-1.007276
"898621"	579.535824	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-H"	-1.007276
"57371"	1177.105471	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M-2H+NH4"	16.019271
"489280"	1757.648571	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M-2H+NH4"	16.019271
"868174"	596.562371	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-2H+NH4"	16.019271
"40450"	1182.060866	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M-2H+Na"	20.974666
"484382"	1762.603966	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M-2H+Na"	20.974666
"855622"	601.517766	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-2H+Na"	20.974666
"1620416"	601.517766	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Na-2H"	20.974666
"97307"	597.524163	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M-H+Cl"	33.962126
"536869"	887.795713	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M-H+Cl"	33.962126
"933666"	307.252613	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-H+Cl"	33.962126
"268211"	1196.055602	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+Cl"	34.969402
"664644"	1776.598702	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+Cl"	34.969402
"1278142"	615.512502	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Cl"	34.969402
"21797"	1198.034806	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M-2H+K"	36.948606
"457343"	1778.577906	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M-2H+K"	36.948606
"834052"	617.491706	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-2H+K"	36.948606
"1556330"	617.491706	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+K-2H"	36.948606
"943243"	625.541294	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-H+HCOOH"	44.998194
"362547"	1206.084401	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+HCOOH-H"	44.998201
"345976"	1220.100051	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+Hac-H"	59.013851
"1494903"	639.556951	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Hac-H"	59.013851
"966825"	647.523251	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-H+NaCOOH"	66.980151
"116825"	615.512502	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+2Cl"	69.938804
"554561"	905.784052	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+2Cl"	69.938804
"1022628"	325.240952	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2Cl"	69.938804
"1246588"	659.461985	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Br"	78.918885
"1309766"	661.517972	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Cl+HCOOH"	80.974872
"1332372"	683.499929	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Cl+NaCOOH"	102.956829
"926636"	693.528686	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M-H+CF3COOH"	112.985586
"1299044"	729.505364	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Cl+CF3COOH"	148.962264
"1382586"	545.530424	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H-2H2O"	-35.012676
"1394702"	563.5404	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H-H2O"	-17.0027
"290014"	1162.093476	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+H"	1.007276
"678061"	1742.636576	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+H"	1.007276
"1355504"	581.550376	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H"	1.007276
"126321"	581.550376	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+2H"	2.014552
"566862"	871.821926	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+2H"	2.014552
"1041127"	291.278826	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2H"	2.014552
"204896"	388.036009333333	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+3H"	3.021828
"646401"	581.550376	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+3H"	3.021828
"1165619"	194.521642666667	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+3H"	3.021828
"425611"	1179.120023	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+NH4"	18.033823
"787700"	1759.663123	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+NH4"	18.033823
"1688403"	598.576923	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+NH4"	18.033823
"337776"	590.0636495	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+H+NH4"	19.041099
"724736"	880.3351995	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+H+NH4"	19.041099
"1478554"	299.7920995	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H+NH4"	19.041099
"394316"	1184.075418	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+Na"	22.989218
"755067"	1764.618518	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+Na"	22.989218
"1603041"	603.532318	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Na"	22.989218
"315634"	592.541347	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+H+Na"	23.996494
"709151"	882.812897	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+H+Na"	23.996494
"1465889"	302.269797	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H+Na"	23.996494
"1064604"	201.848956666667	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2H+Na"	25.00377
"1261907"	613.576586	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+CH3OH+H"	33.033486
"380480"	1200.049358	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+K"	38.963158
"746945"	1780.592458	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+K"	38.963158
"1541706"	619.506258	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+K"	38.963158
"302524"	600.528317	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+H+K"	39.970434
"693118"	890.799867	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+H+K"	39.970434
"1448399"	310.256767	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H+K"	39.970434
"239189"	1203.120026	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+ACN+H"	42.033826
"1214817"	622.576926	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+ACN+H"	42.033826
"1199796"	311.792101	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+ACN+2H"	43.041102
"193760"	1206.05736	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+2Na-H"	44.97116
"634419"	1786.60046	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+2Na-H"	44.97116
"1145954"	625.51426	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2Na-H"	44.97116
"185599"	603.532318	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+2Na"	45.978436
"621876"	893.803868	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+2Na"	45.978436
"1124653"	313.260768	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2Na"	45.978436
"1405626"	209.176270666667	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H+2Na"	46.985712
"1431543"	627.555846	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H+HCOOH"	47.012746
"221601"	608.56534	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+3H2O+2H"	56.04448
"1509302"	641.60789	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+IsoProp+H"	61.06479
"411547"	611.519288	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+Na+K"	61.952376
"775456"	901.790838	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+Na+K"	61.952376
"1669601"	321.247738	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Na+K"	61.952376
"253200"	1225.101968	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+ACN+Na"	64.015768
"1228462"	644.558868	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+ACN+Na"	64.015768
"1714429"	644.582393	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+NH4+HCOOH"	64.039293
"1180150"	216.503584666667	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+3Na"	68.967654
"1651503"	649.537788	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Na+HCOOH"	68.994688
"164932"	1238.00524	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+2K-H"	76.91904
"607773"	1818.54834	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+2K-H"	76.91904
"1090098"	657.46214	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2K-H"	76.91904
"154214"	619.506258	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"2M+2K"	77.926316
"593413"	909.777808	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"3M+2K"	77.926316
"1081203"	329.234708	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2K"	77.926316
"1112228"	659.476692	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2K+H"	78.933592
"1343874"	659.564307	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+DMSO+H"	79.021207
"1016776"	663.603476	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2ACN+H"	83.060376
"1527248"	664.597108	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+IsoProp+Na+H"	84.054008
"992604"	332.305376	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+2ACN+2H"	84.067652
"1599133"	665.511728	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+K+HCOOH"	84.968628
"1422607"	695.543238	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+H+CF3COOH"	115.000138
"1162250"	352.818651	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+3ACN+2H"	125.094202
"1706818"	712.569785	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+NH4+CF3COOH"	132.026685
"1644656"	717.52518	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+Na+CF3COOH"	136.98208
"1577025"	733.49912	"C13862"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol"	"C37H72O4"	"580.5431"	"M+K+CF3COOH"	152.95602
"813958"	652.6733	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M"	0
"980930"	633.65491	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-H2O-H"	-19.01839
"68079"	434.108257333333	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M-3H"	-3.021828
"505453"	651.666024	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M-3H"	-3.021828
"881792"	216.550490666667	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-3H"	-3.021828
"2919"	651.666024	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M-2H"	-2.014552
"441752"	978.002674	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M-2H"	-2.014552
"820283"	325.329374	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-2H"	-2.014552
"83556"	1304.339324	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M-H"	-1.007276
"522022"	1957.012624	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M-H"	-1.007276
"898731"	651.666024	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-H"	-1.007276
"54201"	1321.365871	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M-2H+NH4"	16.019271
"488297"	1974.039171	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M-2H+NH4"	16.019271
"868284"	668.692571	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-2H+NH4"	16.019271
"41654"	1326.321266	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M-2H+Na"	20.974666
"483399"	1978.994566	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M-2H+Na"	20.974666
"855732"	673.647966	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-2H+Na"	20.974666
"1619799"	673.647966	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Na-2H"	20.974666
"95231"	669.654363	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M-H+Cl"	33.962126
"538072"	995.991013	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M-H+Cl"	33.962126
"933776"	343.317713	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-H+Cl"	33.962126
"269051"	1340.316002	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+Cl"	34.969402
"664753"	1992.989302	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+Cl"	34.969402
"1277158"	687.642702	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Cl"	34.969402
"19717"	1342.295206	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M-2H+K"	36.948606
"460369"	1994.968506	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M-2H+K"	36.948606
"835983"	689.621906	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-2H+K"	36.948606
"1556928"	689.621906	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+K-2H"	36.948606
"943268"	697.671494	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-H+HCOOH"	44.998194
"361422"	1350.344801	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+HCOOH-H"	44.998201
"346047"	1364.360451	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+Hac-H"	59.013851
"1494285"	711.687151	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Hac-H"	59.013851
"965842"	719.653451	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-H+NaCOOH"	66.980151
"112195"	687.642702	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+2Cl"	69.938804
"551024"	1013.979352	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+2Cl"	69.938804
"1022129"	361.306052	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2Cl"	69.938804
"1244144"	731.592185	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Br"	78.918885
"1307688"	733.648172	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Cl+HCOOH"	80.974872
"1330294"	755.630129	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Cl+NaCOOH"	102.956829
"926582"	765.658886	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M-H+CF3COOH"	112.985586
"1299154"	801.635564	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Cl+CF3COOH"	148.962264
"1382181"	617.660624	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H-2H2O"	-35.012676
"1394812"	635.6706	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H-H2O"	-17.0027
"291217"	1306.353876	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+H"	1.007276
"678899"	1959.027176	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+H"	1.007276
"1355614"	653.680576	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H"	1.007276
"127040"	653.680576	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+2H"	2.014552
"566243"	980.017226	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+2H"	2.014552
"1041237"	327.343926	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2H"	2.014552
"206221"	436.122809333333	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+3H"	3.021828
"646510"	653.680576	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+3H"	3.021828
"1167916"	218.565042666667	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+3H"	3.021828
"425722"	1323.380423	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+NH4"	18.033823
"789996"	1976.053723	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+NH4"	18.033823
"1687420"	670.707123	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+NH4"	18.033823
"337886"	662.1938495	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+H+NH4"	19.041099
"723381"	988.5304995	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+H+NH4"	19.041099
"1478785"	335.8571995	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H+NH4"	19.041099
"395155"	1328.335818	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+Na"	22.989218
"754690"	1981.009118	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+Na"	22.989218
"1604002"	675.662518	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Na"	22.989218
"315864"	664.671547	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+H+Na"	23.996494
"707801"	991.008197	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+H+Na"	23.996494
"1467092"	338.334897	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H+Na"	23.996494
"1062528"	225.892356666667	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2H+Na"	25.00377
"1262017"	685.706786	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+CH3OH+H"	33.033486
"379861"	1344.309758	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+K"	38.963158
"742681"	1996.983058	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+K"	38.963158
"1543274"	691.636458	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+K"	38.963158
"302270"	672.658517	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+H+K"	39.970434
"694323"	998.995167	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+H+K"	39.970434
"1450331"	346.321867	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H+K"	39.970434
"240392"	1347.380426	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+ACN+H"	42.033826
"1215289"	694.707126	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+ACN+H"	42.033826
"1199905"	347.857201	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+ACN+2H"	43.041102
"191681"	1350.31776	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+2Na-H"	44.97116
"632705"	2002.99106	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+2Na-H"	44.97116
"1140963"	697.64446	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2Na-H"	44.97116
"182429"	675.662518	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+2Na"	45.978436
"620893"	1001.999168	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+2Na"	45.978436
"1124399"	349.325868	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2Na"	45.978436
"1404642"	233.219670666667	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H+2Na"	46.985712
"1431653"	699.686046	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H+HCOOH"	47.012746
"220736"	680.69554	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+3H2O+2H"	56.04448
"1509286"	713.73809	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+IsoProp+H"	61.06479
"410197"	683.649488	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+Na+K"	61.952376
"772649"	1009.986138	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+Na+K"	61.952376
"1667157"	357.312838	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Na+K"	61.952376
"252011"	1369.362368	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+ACN+Na"	64.015768
"1226747"	716.689068	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+ACN+Na"	64.015768
"1713072"	716.712593	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+NH4+HCOOH"	64.039293
"1179894"	240.546984666667	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+3Na"	68.967654
"1652342"	721.667988	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Na+HCOOH"	68.994688
"162854"	1382.26564	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+2K-H"	76.91904
"604602"	2034.93894	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+2K-H"	76.91904
"1089114"	729.59234	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2K-H"	76.91904
"151043"	691.636458	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"2M+2K"	77.926316
"592792"	1017.973108	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"3M+2K"	77.926316
"1076574"	365.299808	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2K"	77.926316
"1110878"	731.606892	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2K+H"	78.933592
"1341797"	731.694507	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+DMSO+H"	79.021207
"1013606"	735.733676	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2ACN+H"	83.060376
"1525293"	736.727308	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+IsoProp+Na+H"	84.054008
"991621"	368.370476	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+2ACN+2H"	84.067652
"1598150"	737.641928	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+K+HCOOH"	84.968628
"1420531"	767.673438	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+H+CF3COOH"	115.000138
"1161388"	388.883751	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+3ACN+2H"	125.094202
"1706928"	784.699985	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+NH4+CF3COOH"	132.026685
"1644766"	789.65538	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+Na+CF3COOH"	136.98208
"1577135"	805.62932	"C13863"	"23-Di-O-phytanyl-sn-glycerol;Archaeol"	"C43H88O3"	"652.6733"	"M+K+CF3COOH"	152.95602
"814068"	550.4961	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M"	0
"981040"	531.47771	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-H2O-H"	-19.01839
"68189"	365.990124	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M-3H"	-3.021828
"505563"	549.488824	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M-3H"	-3.021828
"881902"	182.491424	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-3H"	-3.021828
"3029"	549.488824	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M-2H"	-2.014552
"442591"	824.736874	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M-2H"	-2.014552
"820393"	274.240774	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-2H"	-2.014552
"83666"	1099.984924	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M-H"	-1.007276
"522132"	1650.481024	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M-H"	-1.007276
"898841"	549.488824	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-H"	-1.007276
"54311"	1117.011471	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M-2H+NH4"	16.019271
"489620"	1667.507571	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M-2H+NH4"	16.019271
"866328"	566.515371	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-2H+NH4"	16.019271
"42857"	1121.966866	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M-2H+Na"	20.974666
"484602"	1672.462966	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M-2H+Na"	20.974666
"855842"	571.470766	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-2H+Na"	20.974666
"1619907"	571.470766	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Na-2H"	20.974666
"95342"	567.477163	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M-H+Cl"	33.962126
"537089"	842.725213	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M-H+Cl"	33.962126
"933886"	292.229113	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-H+Cl"	33.962126
"268189"	1135.961602	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+Cl"	34.969402
"663770"	1686.457702	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+Cl"	34.969402
"1280549"	585.465502	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Cl"	34.969402
"22016"	1137.940806	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M-2H+K"	36.948606
"460481"	1688.436906	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M-2H+K"	36.948606
"835001"	587.444706	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-2H+K"	36.948606
"1558131"	587.444706	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+K-2H"	36.948606
"944554"	595.494294	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-H+HCOOH"	44.998194
"361671"	1145.990401	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+HCOOH-H"	44.998201
"347377"	1160.006051	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+Hac-H"	59.013851
"1493539"	609.509951	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Hac-H"	59.013851
"962305"	617.476251	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-H+NaCOOH"	66.980151
"112304"	585.465502	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+2Cl"	69.938804
"551861"	860.713552	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+2Cl"	69.938804
"1021425"	310.217452	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2Cl"	69.938804
"1242794"	629.414985	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Br"	78.918885
"1305608"	631.470972	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Cl+HCOOH"	80.974872
"1323473"	653.452929	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Cl+NaCOOH"	102.956829
"921462"	663.481686	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M-H+CF3COOH"	112.985586
"1297076"	699.458364	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Cl+CF3COOH"	148.962264
"1382702"	515.483424	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H-2H2O"	-35.012676
"1394922"	533.4934	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H-H2O"	-17.0027
"292421"	1101.999476	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+H"	1.007276
"680832"	1652.495576	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+H"	1.007276
"1356815"	551.503376	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H"	1.007276
"127879"	551.503376	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+2H"	2.014552
"571455"	826.751426	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+2H"	2.014552
"1041346"	276.255326	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2H"	2.014552
"207424"	368.004676	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+3H"	3.021828
"645526"	551.503376	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+3H"	3.021828
"1163649"	184.505976	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+3H"	3.021828
"429112"	1119.026023	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+NH4"	18.033823
"789012"	1669.522123	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+NH4"	18.033823
"1688623"	568.529923	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+NH4"	18.033823
"332528"	560.0166495	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+H+NH4"	19.041099
"726045"	835.2646995	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+H+NH4"	19.041099
"1478405"	284.7685995	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H+NH4"	19.041099
"395264"	1123.981418	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+Na"	22.989218
"757354"	1674.477518	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+Na"	22.989218
"1604358"	573.485318	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Na"	22.989218
"315487"	562.494347	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+H+Na"	23.996494
"710097"	837.742397	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+H+Na"	23.996494
"1467202"	287.246297	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H+Na"	23.996494
"1060450"	191.83329	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2H+Na"	25.00377
"1257751"	583.529586	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+CH3OH+H"	33.033486
"377781"	1139.955358	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+K"	38.963158
"744975"	1690.451458	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+K"	38.963158
"1545935"	589.459258	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+K"	38.963158
"299459"	570.481317	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+H+K"	39.970434
"693337"	845.729367	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+H+K"	39.970434
"1447521"	295.233267	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H+K"	39.970434
"239044"	1143.026026	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+ACN+H"	42.033826
"1214303"	592.529926	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+ACN+H"	42.033826
"1198554"	296.768601	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+ACN+2H"	43.041102
"193980"	1145.96336	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+2Na-H"	44.97116
"632450"	1696.45946	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+2Na-H"	44.97116
"1142530"	595.46726	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2Na-H"	44.97116
"180348"	573.485318	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+2Na"	45.978436
"617721"	848.733368	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+2Na"	45.978436
"1123416"	298.237268	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2Na"	45.978436
"1400497"	199.160604	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H+2Na"	46.985712
"1432492"	597.508846	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H+HCOOH"	47.012746
"221088"	578.51834	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+3H2O+2H"	56.04448
"1508746"	611.56089	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+IsoProp+H"	61.06479
"411034"	581.472288	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+Na+K"	61.952376
"770125"	856.720338	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+Na+K"	61.952376
"1665930"	306.224238	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Na+K"	61.952376
"251470"	1165.007968	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+ACN+Na"	64.015768
"1225697"	614.511868	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+ACN+Na"	64.015768
"1713182"	614.535393	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+NH4+HCOOH"	64.039293
"1179276"	206.487918	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+3Na"	68.967654
"1652814"	619.490788	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Na+HCOOH"	68.994688
"162962"	1177.91124	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+2K-H"	76.91904
"600335"	1728.40734	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+2K-H"	76.91904
"1087035"	627.41514	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2K-H"	76.91904
"149329"	589.459258	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"2M+2K"	77.926316
"588529"	864.707308	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"3M+2K"	77.926316
"1077412"	314.211208	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2K"	77.926316
"1108800"	629.429692	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2K+H"	78.933592
"1338626"	629.517307	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+DMSO+H"	79.021207
"1013715"	633.556476	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2ACN+H"	83.060376
"1533664"	634.550108	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+IsoProp+Na+H"	84.054008
"996103"	317.281876	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+2ACN+2H"	84.067652
"1597167"	635.464728	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+K+HCOOH"	84.968628
"1425014"	665.496238	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+H+CF3COOH"	115.000138
"1157487"	337.795151	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+3ACN+2H"	125.094202
"1707038"	682.522785	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+NH4+CF3COOH"	132.026685
"1644876"	687.47818	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+Na+CF3COOH"	136.98208
"1577245"	703.45212	"C13864"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol"	"C35H66O4"	"550.4961"	"M+K+CF3COOH"	152.95602
"816924"	900.6479	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M"	0
"989740"	881.62951	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-H2O-H"	-19.01839
"75953"	599.424657333333	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M-3H"	-3.021828
"511140"	899.640624	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M-3H"	-3.021828
"887845"	299.208690666667	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-3H"	-3.021828
"8607"	899.640624	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M-2H"	-2.014552
"445983"	1349.964574	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M-2H"	-2.014552
"823784"	449.316674	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-2H"	-2.014552
"85963"	1800.288524	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M-H"	-1.007276
"522242"	2700.936424	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M-H"	-1.007276
"898951"	899.640624	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-H"	-1.007276
"57701"	1817.315071	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M-2H+NH4"	16.019271
"491797"	2717.962971	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M-2H+NH4"	16.019271
"869598"	916.667171	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-2H+NH4"	16.019271
"44790"	1822.270466	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M-2H+Na"	20.974666
"484348"	2722.918366	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M-2H+Na"	20.974666
"859232"	921.622566	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-2H+Na"	20.974666
"1620018"	921.622566	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Na-2H"	20.974666
"96546"	917.628963	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M-H+Cl"	33.962126
"539387"	1367.952913	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M-H+Cl"	33.962126
"932903"	467.305013	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-H+Cl"	33.962126
"272553"	1836.265202	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+Cl"	34.969402
"666068"	2736.913102	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+Cl"	34.969402
"1277378"	935.617302	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Cl"	34.969402
"23219"	1838.244406	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M-2H+K"	36.948606
"458404"	2738.892306	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M-2H+K"	36.948606
"835113"	937.596506	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-2H+K"	36.948606
"1558606"	937.596506	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+K-2H"	36.948606
"946488"	945.646094	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-H+HCOOH"	44.998194
"364702"	1846.294001	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+HCOOH-H"	44.998201
"345760"	1860.309651	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+Hac-H"	59.013851
"1495596"	959.661751	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Hac-H"	59.013851
"958760"	967.628051	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-H+NaCOOH"	66.980151
"113507"	935.617302	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+2Cl"	69.938804
"552337"	1385.941252	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+2Cl"	69.938804
"1022105"	485.293352	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2Cl"	69.938804
"1244364"	979.566785	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Br"	78.918885
"1307907"	981.622772	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Cl+HCOOH"	80.974872
"1321761"	1003.604729	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Cl+NaCOOH"	102.956829
"920479"	1013.633486	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M-H+CF3COOH"	112.985586
"1297187"	1049.610164	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Cl+CF3COOH"	148.962264
"1382529"	865.635224	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H-2H2O"	-35.012676
"1396125"	883.6452	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H-H2O"	-17.0027
"292531"	1802.303076	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+H"	1.007276
"680578"	2702.950976	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+H"	1.007276
"1356925"	901.655176	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H"	1.007276
"130907"	901.655176	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+2H"	2.014552
"573753"	1351.979126	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+2H"	2.014552
"1044739"	451.331226	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2H"	2.014552
"210453"	601.439209333333	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+3H"	3.021828
"652198"	901.655176	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+3H"	3.021828
"1168135"	301.223242666667	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+3H"	3.021828
"433596"	1819.329623	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+NH4"	18.033823
"793496"	2719.977523	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+NH4"	18.033823
"1688733"	918.681723	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+NH4"	18.033823
"335918"	910.1684495	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+H+NH4"	19.041099
"727248"	1360.4923995	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+H+NH4"	19.041099
"1479002"	459.8444995	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H+NH4"	19.041099
"395375"	1824.285018	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+Na"	22.989218
"758557"	2724.932918	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+Na"	22.989218
"1606655"	923.637118	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Na"	22.989218
"317784"	912.646147	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+H+Na"	23.996494
"713488"	1362.970097	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+H+Na"	23.996494
"1467312"	462.322197	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H+Na"	23.996494
"1059466"	308.550556666667	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2H+Na"	25.00377
"1261141"	933.681386	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+CH3OH+H"	33.033486
"377891"	1840.258958	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+K"	38.963158
"746179"	2740.906858	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+K"	38.963158
"1546045"	939.611058	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+K"	38.963158
"300662"	920.633117	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+H+K"	39.970434
"694542"	1370.957067	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+H+K"	39.970434
"1447997"	470.309167	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H+K"	39.970434
"240611"	1843.329626	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+ACN+H"	42.033826
"1215145"	942.681726	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+ACN+H"	42.033826
"1197937"	471.844501	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+ACN+2H"	43.041102
"192997"	1846.26696	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+2Na-H"	44.97116
"632923"	2746.91486	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+2Na-H"	44.97116
"1143368"	945.61906	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2Na-H"	44.97116
"179365"	923.637118	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+2Na"	45.978436
"616009"	1373.961068	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+2Na"	45.978436
"1123160"	473.313168	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2Na"	45.978436
"1400363"	315.877870666667	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H+2Na"	46.985712
"1432237"	947.660646	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H+HCOOH"	47.012746
"220222"	928.67014	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+3H2O+2H"	56.04448
"1508774"	961.71269	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+IsoProp+H"	61.06479
"409683"	931.624088	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+Na+K"	61.952376
"776516"	1381.948038	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+Na+K"	61.952376
"1673940"	481.300138	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Na+K"	61.952376
"254992"	1865.311568	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+ACN+Na"	64.015768
"1226233"	964.663668	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+ACN+Na"	64.015768
"1712757"	964.687193	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+NH4+HCOOH"	64.039293
"1179386"	323.205184666667	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+3Na"	68.967654
"1652923"	969.642588	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Na+HCOOH"	68.994688
"163073"	1878.21484	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+2K-H"	76.91904
"601539"	2778.86274	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+2K-H"	76.91904
"1086053"	977.56694	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2K-H"	76.91904
"152356"	939.611058	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"2M+2K"	77.926316
"584627"	1389.935008	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"3M+2K"	77.926316
"1076794"	489.287108	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2K"	77.926316
"1108911"	979.581492	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2K+H"	78.933592
"1339829"	979.669107	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+DMSO+H"	79.021207
"1014916"	983.708276	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2ACN+H"	83.060376
"1528672"	984.701908	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+IsoProp+Na+H"	84.054008
"994026"	492.357776	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+2ACN+2H"	84.067652
"1588530"	985.616528	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+K+HCOOH"	84.968628
"1417470"	1015.648038	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+H+CF3COOH"	115.000138
"1158692"	512.871051	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+3ACN+2H"	125.094202
"1711522"	1032.674585	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+NH4+CF3COOH"	132.026685
"1647173"	1037.62998	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+Na+CF3COOH"	136.98208
"1577355"	1053.60392	"C13867"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-(8-(2E4Z-decadienoyloxy)-56-octadienoyl)-sn-glycerol"	"C57H88O8"	"900.6479"	"M+K+CF3COOH"	152.95602
"816520"	778.705	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M"	0
"984540"	759.68661	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-H2O-H"	-19.01839
"70595"	518.129390666667	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M-3H"	-3.021828
"513436"	777.697724	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M-3H"	-3.021828
"881393"	258.561057333333	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-3H"	-3.021828
"1062"	777.697724	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M-2H"	-2.014552
"446093"	1167.050224	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M-2H"	-2.014552
"821707"	388.345224	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-2H"	-2.014552
"82793"	1556.402724	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M-H"	-1.007276
"518823"	2335.107724	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M-H"	-1.007276
"899061"	777.697724	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-H"	-1.007276
"54531"	1573.429271	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M-2H+NH4"	16.019271
"491907"	2352.134271	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M-2H+NH4"	16.019271
"869708"	794.724271	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-2H+NH4"	16.019271
"40891"	1578.384666	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M-2H+Na"	20.974666
"481542"	2357.089666	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M-2H+Na"	20.974666
"858249"	799.679666	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-2H+Na"	20.974666
"1620128"	799.679666	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Na-2H"	20.974666
"96656"	795.686063	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M-H+Cl"	33.962126
"537309"	1185.038563	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M-H+Cl"	33.962126
"927906"	406.333563	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-H+Cl"	33.962126
"269383"	1592.379402	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+Cl"	34.969402
"663989"	2371.084402	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+Cl"	34.969402
"1278581"	813.674402	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Cl"	34.969402
"20047"	1594.358606	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M-2H+K"	36.948606
"456327"	2373.063606	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M-2H+K"	36.948606
"836315"	815.653606	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-2H+K"	36.948606
"1560539"	815.653606	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+K-2H"	36.948606
"948787"	823.703194	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-H+HCOOH"	44.998194
"362991"	1602.408201	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+HCOOH-H"	44.998201
"346382"	1616.423851	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+Hac-H"	59.013851
"1496435"	837.718851	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Hac-H"	59.013851
"959966"	845.685151	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-H+NaCOOH"	66.980151
"111431"	813.674402	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+2Cl"	69.938804
"551719"	1203.026902	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+2Cl"	69.938804
"1021727"	424.321902	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2Cl"	69.938804
"1244110"	857.623885	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Br"	78.918885
"1312028"	859.679872	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Cl+HCOOH"	80.974872
"1321144"	881.661829	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Cl+NaCOOH"	102.956829
"918402"	891.690586	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M-H+CF3COOH"	112.985586
"1296203"	927.667264	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Cl+CF3COOH"	148.962264
"1382267"	743.692324	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H-2H2O"	-35.012676
"1395142"	761.7023	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H-H2O"	-17.0027
"289361"	1558.417276	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+H"	1.007276
"679595"	2337.122276	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+H"	1.007276
"1353755"	779.712276	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H"	1.007276
"125828"	779.712276	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+2H"	2.014552
"571676"	1169.064776	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+2H"	2.014552
"1042662"	390.359776	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2H"	2.014552
"208374"	520.143942666667	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+3H"	3.021828
"647933"	779.712276	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+3H"	3.021828
"1164965"	260.575609333333	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+3H"	3.021828
"431519"	1575.443823	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+NH4"	18.033823
"788139"	2354.148823	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+NH4"	18.033823
"1687751"	796.738823	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+NH4"	18.033823
"332748"	788.2255495	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+H+NH4"	19.041099
"727358"	1177.5780495	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+H+NH4"	19.041099
"1478019"	398.8730495	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H+NH4"	19.041099
"395485"	1580.399218	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+Na"	22.989218
"758667"	2359.104218	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+Na"	22.989218
"1605671"	801.694218	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Na"	22.989218
"318989"	790.703247	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+H+Na"	23.996494
"713596"	1180.055747	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+H+Na"	23.996494
"1467418"	401.350747	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H+Na"	23.996494
"1056656"	267.902923333333	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2H+Na"	25.00377
"1263440"	811.738486	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+CH3OH+H"	33.033486
"383105"	1596.373158	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+K"	38.963158
"739726"	2375.078158	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+K"	38.963158
"1548342"	817.668158	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+K"	38.963158
"299320"	798.690217	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+H+K"	39.970434
"691575"	1188.042717	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+H+K"	39.970434
"1446650"	409.337717	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H+K"	39.970434
"236712"	1599.443826	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+ACN+H"	42.033826
"1213797"	820.738826	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+ACN+H"	42.033826
"1197316"	410.873051	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+ACN+2H"	43.041102
"192741"	1602.38116	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+2Na-H"	44.97116
"632670"	2381.08616	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+2Na-H"	44.97116
"1143842"	823.67616	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2Na-H"	44.97116
"182028"	801.694218	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+2Na"	45.978436
"621587"	1191.046718	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+2Na"	45.978436
"1122177"	412.341718	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2Na"	45.978436
"1402783"	275.230237333333	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H+2Na"	46.985712
"1431983"	825.717746	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H+HCOOH"	47.012746
"220211"	806.72724	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+3H2O+2H"	56.04448
"1509131"	839.76979	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+IsoProp+H"	61.06479
"409793"	809.681188	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+Na+K"	61.952376
"777719"	1199.033688	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+Na+K"	61.952376
"1674050"	420.328688	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Na+K"	61.952376
"256195"	1621.425768	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+ACN+Na"	64.015768
"1225857"	842.720768	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+ACN+Na"	64.015768
"1712754"	842.744293	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+NH4+HCOOH"	64.039293
"1179495"	282.557551333333	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+3Na"	68.967654
"1650970"	847.699688	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Na+HCOOH"	68.994688
"163183"	1634.32904	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+2K-H"	76.91904
"602743"	2413.03404	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+2K-H"	76.91904
"1085798"	855.62404	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2K-H"	76.91904
"151736"	817.668158	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"2M+2K"	77.926316
"586924"	1207.020658	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"3M+2K"	77.926316
"1077996"	428.315658	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2K"	77.926316
"1107928"	857.638592	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2K+H"	78.933592
"1338845"	857.726207	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+DMSO+H"	79.021207
"1015026"	861.765376	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2ACN+H"	83.060376
"1530969"	862.759008	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+IsoProp+Na+H"	84.054008
"997416"	431.386326	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+2ACN+2H"	84.067652
"1590827"	863.673628	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+K+HCOOH"	84.968628
"1428758"	893.705138	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+H+CF3COOH"	115.000138
"1158802"	451.899601	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+3ACN+2H"	125.094202
"1712362"	910.731685	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+NH4+CF3COOH"	132.026685
"1647283"	915.68708	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+Na+CF3COOH"	136.98208
"1577465"	931.66102	"C13869"	"1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol"	"C49H94O6"	"778.705"	"M+K+CF3COOH"	152.95602
"814034"	302.1729	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M"	0
"981370"	283.15451	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-H2O-H"	-19.01839
"70704"	200.441324	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M-3H"	-3.021828
"508078"	301.165624	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M-3H"	-3.021828
"881505"	99.717024	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-3H"	-3.021828
"2267"	301.165624	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M-2H"	-2.014552
"445109"	452.252074	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M-2H"	-2.014552
"821817"	150.079174	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-2H"	-2.014552
"82902"	603.338524	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M-H"	-1.007276
"520274"	905.511424	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M-H"	-1.007276
"898078"	301.165624	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-H"	-1.007276
"56464"	620.365071	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M-2H+NH4"	16.019271
"496756"	922.537971	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M-2H+NH4"	16.019271
"874557"	318.192171	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-2H+NH4"	16.019271
"43188"	625.320466	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M-2H+Na"	20.974666
"480559"	927.493366	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M-2H+Na"	20.974666
"858359"	323.147566	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-2H+Na"	20.974666
"1623518"	323.147566	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Na-2H"	20.974666
"96767"	319.153963	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M-H+Cl"	33.962126
"537420"	470.240413	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M-H+Cl"	33.962126
"929841"	168.067513	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-H+Cl"	33.962126
"274961"	639.315202	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+Cl"	34.969402
"661913"	941.488102	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+Cl"	34.969402
"1278692"	337.142302	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Cl"	34.969402
"19064"	641.294406	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M-2H+K"	36.948606
"458623"	943.467306	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M-2H+K"	36.948606
"835332"	339.121506	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-2H+K"	36.948606
"1561015"	339.121506	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+K-2H"	36.948606
"949990"	347.171094	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-H+HCOOH"	44.998194
"362373"	649.344001	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+HCOOH-H"	44.998201
"346251"	663.359651	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+Hac-H"	59.013851
"1493305"	361.186751	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Hac-H"	59.013851
"959021"	369.153051	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-H+NaCOOH"	66.980151
"111895"	337.142302	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+2Cl"	69.938804
"551820"	488.228752	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+2Cl"	69.938804
"1022443"	186.055852	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2Cl"	69.938804
"1243492"	381.091785	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Br"	78.918885
"1313231"	383.147772	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Cl+HCOOH"	80.974872
"1326357"	405.129729	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Cl+NaCOOH"	102.956829
"915232"	415.158486	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M-H+CF3COOH"	112.985586
"1296313"	451.135164	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Cl+CF3COOH"	148.962264
"1372288"	267.160224	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H-2H2O"	-35.012676
"1386504"	285.1702	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H-H2O"	-17.0027
"289471"	605.353076	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+H"	1.007276
"676785"	907.525976	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+H"	1.007276
"1354958"	303.180176	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H"	1.007276
"125936"	303.180176	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+2H"	2.014552
"569599"	454.266626	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+2H"	2.014552
"1041677"	152.093726	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2H"	2.014552
"207390"	202.455876	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+3H"	3.021828
"648043"	303.180176	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+3H"	3.021828
"1168355"	101.731576	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+3H"	3.021828
"430537"	622.379623	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+NH4"	18.033823
"794811"	924.552523	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+NH4"	18.033823
"1685674"	320.206723	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+NH4"	18.033823
"335045"	311.6934495	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+H+NH4"	19.041099
"725282"	462.7798995	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+H+NH4"	19.041099
"1479468"	160.6069995	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H+NH4"	19.041099
"395595"	627.335018	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+Na"	22.989218
"758777"	929.507918	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+Na"	22.989218
"1604689"	325.162118	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Na"	22.989218
"320193"	314.171147	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+H+Na"	23.996494
"710426"	465.257597	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+H+Na"	23.996494
"1466434"	163.084697	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H+Na"	23.996494
"1056399"	109.05889	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2H+Na"	25.00377
"1260266"	335.206386	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+CH3OH+H"	33.033486
"377868"	643.308958	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+K"	38.963158
"739106"	945.481858	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+K"	38.963158
"1549180"	341.136058	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+K"	38.963158
"300523"	322.158117	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+H+K"	39.970434
"692091"	473.244567	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+H+K"	39.970434
"1445942"	171.071667	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H+K"	39.970434
"235734"	646.379626	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+ACN+H"	42.033826
"1215366"	344.206726	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+ACN+H"	42.033826
"1197062"	172.607001	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+ACN+2H"	43.041102
"195403"	649.31696	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+2Na-H"	44.97116
"637155"	951.48986	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+2Na-H"	44.97116
"1140670"	347.14406	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2Na-H"	44.97116
"177763"	325.162118	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+2Na"	45.978436
"621333"	476.248568	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+2Na"	45.978436
"1122287"	174.075668	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2Na"	45.978436
"1402893"	116.386204	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H+2Na"	46.985712
"1432093"	349.185646	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H+HCOOH"	47.012746
"220026"	330.19514	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+3H2O+2H"	56.04448
"1508457"	363.23769	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+IsoProp+H"	61.06479
"410632"	333.149088	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+Na+K"	61.952376
"777829"	484.235538	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+Na+K"	61.952376
"1673067"	182.062638	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Na+K"	61.952376
"256304"	668.361568	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+ACN+Na"	64.015768
"1225811"	366.188668	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+ACN+Na"	64.015768
"1712824"	366.212193	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+NH4+HCOOH"	64.039293
"1179121"	123.713518	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+3Na"	68.967654
"1651324"	371.167588	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Na+HCOOH"	68.994688
"168761"	681.26484	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+2K-H"	76.91904
"602854"	983.43774	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+2K-H"	76.91904
"1086637"	379.09194	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2K-H"	76.91904
"150752"	341.136058	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"2M+2K"	77.926316
"585940"	492.222508	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"3M+2K"	77.926316
"1077012"	190.049608	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2K"	77.926316
"1106944"	381.106492	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2K+H"	78.933592
"1340049"	381.194107	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+DMSO+H"	79.021207
"1008576"	385.233276	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2ACN+H"	83.060376
"1531078"	386.226908	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+IsoProp+Na+H"	84.054008
"993152"	193.120276	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+2ACN+2H"	84.067652
"1590936"	387.141528	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+K+HCOOH"	84.968628
"1428625"	417.173038	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+H+CF3COOH"	115.000138
"1161098"	213.633551	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+3ACN+2H"	125.094202
"1707368"	434.199585	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+NH4+CF3COOH"	132.026685
"1645206"	439.15498	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+Na+CF3COOH"	136.98208
"1577575"	455.12892	"C13870"	"Tributyrin;Glyceryl tributyrate;Glycerol tributyrate"	"C15H26O6"	"302.1729"	"M+K+CF3COOH"	152.95602
"815967"	774.5282	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M"	0
"984760"	755.50981	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-H2O-H"	-19.01839
"70814"	515.344857333333	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M-3H"	-3.021828
"506001"	773.520924	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M-3H"	-3.021828
"883802"	257.168790666667	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-3H"	-3.021828
"5657"	773.520924	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M-2H"	-2.014552
"444126"	1160.785024	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M-2H"	-2.014552
"818647"	386.256824	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-2H"	-2.014552
"83012"	1548.049124	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M-H"	-1.007276
"521477"	2322.577324	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M-H"	-1.007276
"899281"	773.520924	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-H"	-1.007276
"55845"	1565.075671	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M-2H+NH4"	16.019271
"500510"	2339.603871	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M-2H+NH4"	16.019271
"874667"	790.547471	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-2H+NH4"	16.019271
"40016"	1570.031066	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M-2H+Na"	20.974666
"482858"	2344.559266	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M-2H+Na"	20.974666
"860658"	795.502866	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-2H+Na"	20.974666
"1626908"	795.502866	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Na-2H"	20.974666
"103437"	791.509263	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M-H+Cl"	33.962126
"544092"	1178.773363	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M-H+Cl"	33.962126
"932138"	404.245163	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-H+Cl"	33.962126
"275071"	1584.025802	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+Cl"	34.969402
"664210"	2358.554002	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+Cl"	34.969402
"1278802"	809.497602	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Cl"	34.969402
"21725"	1586.005006	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M-2H+K"	36.948606
"458369"	2360.533206	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M-2H+K"	36.948606
"835805"	811.476806	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-2H+K"	36.948606
"1561125"	811.476806	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+K-2H"	36.948606
"949008"	819.526394	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-H+HCOOH"	44.998194
"364304"	1594.054601	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+HCOOH-H"	44.998201
"348916"	1608.070251	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+Hac-H"	59.013851
"1497020"	833.542051	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Hac-H"	59.013851
"959093"	841.508351	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-H+NaCOOH"	66.980151
"112009"	809.497602	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+2Cl"	69.938804
"550841"	1196.761702	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+2Cl"	69.938804
"1022187"	422.233502	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2Cl"	69.938804
"1243594"	853.447085	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Br"	78.918885
"1312248"	855.503072	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Cl+HCOOH"	80.974872
"1325374"	877.485029	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Cl+NaCOOH"	102.956829
"915342"	887.513786	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M-H+CF3COOH"	112.985586
"1295330"	923.490464	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Cl+CF3COOH"	148.962264
"1372398"	739.515524	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H-2H2O"	-35.012676
"1385521"	757.5255	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H-H2O"	-17.0027
"289581"	1550.063676	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+H"	1.007276
"675800"	2324.591876	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+H"	1.007276
"1353975"	775.535476	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H"	1.007276
"126008"	775.535476	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+2H"	2.014552
"570801"	1162.799576	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+2H"	2.014552
"1043973"	388.271376	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2H"	2.014552
"212967"	517.359409333333	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+3H"	3.021828
"649247"	775.535476	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+3H"	3.021828
"1163966"	259.183342666667	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+3H"	3.021828
"431741"	1567.090223	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+NH4"	18.033823
"794921"	2341.618423	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+NH4"	18.033823
"1687971"	792.562023	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+NH4"	18.033823
"334062"	784.0487495	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+H+NH4"	19.041099
"726485"	1171.3128495	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+H+NH4"	19.041099
"1480307"	396.7846495	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H+NH4"	19.041099
"394368"	1572.045618	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+Na"	22.989218
"759981"	2346.573818	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+Na"	22.989218
"1610266"	797.517418	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Na"	22.989218
"323583"	786.526447	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+H+Na"	23.996494
"717097"	1173.790547	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+H+Na"	23.996494
"1468731"	399.262347	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H+Na"	23.996494
"1056509"	266.510656666667	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2H+Na"	25.00377
"1262562"	807.561686	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+CH3OH+H"	33.033486
"381137"	1588.019558	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+K"	38.963158
"746508"	2362.547758	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+K"	38.963158
"1546374"	813.491358	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+K"	38.963158
"304643"	794.513417	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+H+K"	39.970434
"695241"	1181.777517	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+H+K"	39.970434
"1448697"	407.249317	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H+K"	39.970434
"236569"	1591.090226	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+ACN+H"	42.033826
"1214382"	816.562026	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+ACN+H"	42.033826
"1200452"	408.784651	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+ACN+2H"	43.041102
"195514"	1594.02756	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+2Na-H"	44.97116
"636170"	2368.55576	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+2Na-H"	44.97116
"1141873"	819.49936	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2Na-H"	44.97116
"178237"	797.517418	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+2Na"	45.978436
"624359"	1184.781518	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+2Na"	45.978436
"1122397"	410.253318	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2Na"	45.978436
"1407377"	273.837970666667	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H+2Na"	46.985712
"1435119"	821.540946	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H+HCOOH"	47.012746
"227001"	802.55044	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+3H2O+2H"	56.04448
"1516158"	835.59299	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+IsoProp+H"	61.06479
"418032"	805.504388	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+Na+K"	61.952376
"774653"	1192.768488	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+Na+K"	61.952376
"1666975"	418.240288	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Na+K"	61.952376
"258601"	1613.072168	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+ACN+Na"	64.015768
"1226933"	838.543968	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+ACN+Na"	64.015768
"1713025"	838.567493	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+NH4+HCOOH"	64.039293
"1180443"	281.165284666667	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+3Na"	68.967654
"1651065"	843.522888	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Na+HCOOH"	68.994688
"168871"	1625.97544	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+2K-H"	76.91904
"602964"	2400.50364	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+2K-H"	76.91904
"1085290"	851.44724	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2K-H"	76.91904
"145387"	813.491358	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"2M+2K"	77.926316
"590420"	1200.755458	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"3M+2K"	77.926316
"1077122"	426.227258	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2K"	77.926316
"1107052"	853.461792	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2K+H"	78.933592
"1337970"	853.549407	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+DMSO+H"	79.021207
"1010873"	857.588576	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2ACN+H"	83.060376
"1525720"	858.582208	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+IsoProp+Na+H"	84.054008
"992169"	429.297926	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+2ACN+2H"	84.067652
"1593233"	859.496828	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+K+HCOOH"	84.968628
"1425454"	889.528338	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+H+CF3COOH"	115.000138
"1157928"	449.811201	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+3ACN+2H"	125.094202
"1708571"	906.554885	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+NH4+CF3COOH"	132.026685
"1643128"	911.51028	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+Na+CF3COOH"	136.98208
"1577685"	927.48422	"C13871"	"12-Di-(9Z12Z15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol"	"C45H74O10"	"774.5282"	"M+K+CF3COOH"	152.95602
"814618"	1301.3154	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M"	0
"984870"	1282.29701	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-H2O-H"	-19.01839
"70924"	866.536324	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M-3H"	-3.021828
"507205"	1300.308124	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M-3H"	-3.021828
"885005"	432.764524	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-3H"	-3.021828
"7954"	1300.308124	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M-2H"	-2.014552
"446422"	1950.965824	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M-2H"	-2.014552
"820944"	649.650424	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-2H"	-2.014552
"83123"	2601.623524	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M-H"	-1.007276
"520616"	3902.938924	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M-H"	-1.007276
"898298"	1300.308124	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-H"	-1.007276
"54862"	2618.650071	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M-2H+NH4"	16.019271
"498798"	3919.965471	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M-2H+NH4"	16.019271
"875505"	1317.334671	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-2H+NH4"	16.019271
"37940"	2623.605466	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M-2H+Na"	20.974666
"484790"	3924.920866	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M-2H+Na"	20.974666
"860768"	1322.290066	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-2H+Na"	20.974666
"1630299"	1322.290066	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Na-2H"	20.974666
"103548"	1318.296463	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M-H+Cl"	33.962126
"544202"	1968.954163	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M-H+Cl"	33.962126
"934435"	667.638763	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-H+Cl"	33.962126
"275181"	2637.600202	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+Cl"	34.969402
"664320"	3938.915602	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+Cl"	34.969402
"1280005"	1336.284802	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Cl"	34.969402
"22564"	2639.579406	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M-2H+K"	36.948606
"458844"	3940.894806	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M-2H+K"	36.948606
"835916"	1338.264006	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-2H+K"	36.948606
"1558680"	1338.264006	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+K-2H"	36.948606
"945834"	1346.313594	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-H+HCOOH"	44.998194
"364414"	2647.629001	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+HCOOH-H"	44.998201
"349026"	2661.644651	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+Hac-H"	59.013851
"1497131"	1360.329251	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Hac-H"	59.013851
"960053"	1368.295551	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-H+NaCOOH"	66.980151
"111755"	1336.284802	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+2Cl"	69.938804
"550585"	1986.942502	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+2Cl"	69.938804
"1022174"	685.627102	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2Cl"	69.938804
"1244435"	1380.234285	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Br"	78.918885
"1311265"	1382.290272	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Cl+HCOOH"	80.974872
"1325484"	1404.272229	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Cl+NaCOOH"	102.956829
"922012"	1414.300986	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M-H+CF3COOH"	112.985586
"1296533"	1450.277664	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Cl+CF3COOH"	148.962264
"1375788"	1266.302724	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H-2H2O"	-35.012676
"1385631"	1284.3127	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H-H2O"	-17.0027
"290784"	2603.638076	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+H"	1.007276
"677004"	3904.953476	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+H"	1.007276
"1354085"	1302.322676	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H"	1.007276
"126240"	1302.322676	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+2H"	2.014552
"573097"	1952.980376	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+2H"	2.014552
"1041896"	651.664976	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2H"	2.014552
"210890"	868.550876	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+3H"	3.021828
"650450"	1302.322676	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+3H"	3.021828
"1162862"	434.779076	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+3H"	3.021828
"431850"	2620.664623	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+NH4"	18.033823
"793938"	3921.980023	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+NH4"	18.033823
"1690268"	1319.349223	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+NH4"	18.033823
"339640"	1310.8359495	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+H+NH4"	19.041099
"725502"	1961.4936495	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+H+NH4"	19.041099
"1483696"	660.1782495	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H+NH4"	19.041099
"394722"	2625.620018	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+Na"	22.989218
"762278"	3926.935418	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+Na"	22.989218
"1611470"	1324.304618	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Na"	22.989218
"320413"	1313.313647	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+H+Na"	23.996494
"716116"	1963.971347	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+H+Na"	23.996494
"1468842"	662.655947	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H+Na"	23.996494
"1060994"	442.10639	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2H+Na"	25.00377
"1260484"	1334.348886	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+CH3OH+H"	33.033486
"380154"	2641.593958	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+K"	38.963158
"741876"	3942.909358	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+K"	38.963158
"1546484"	1340.278558	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+K"	38.963158
"302930"	1321.300617	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+H+K"	39.970434
"693526"	1971.958317	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+H+K"	39.970434
"1448078"	670.642917	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H+K"	39.970434
"237407"	2644.664626	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+ACN+H"	42.033826
"1212670"	1343.349226	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+ACN+H"	42.033826
"1199469"	672.178251	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+ACN+2H"	43.041102
"193437"	2647.60196	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+2Na-H"	44.97116
"634094"	3948.91736	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+2Na-H"	44.97116
"1140890"	1346.28656	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2Na-H"	44.97116
"177983"	1324.304618	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+2Na"	45.978436
"623740"	1974.962318	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+2Na"	45.978436
"1121048"	673.646918	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2Na"	45.978436
"1399833"	449.433704	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H+2Na"	46.985712
"1432313"	1348.328146	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H+HCOOH"	47.012746
"223831"	1329.33764	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+3H2O+2H"	56.04448
"1509097"	1362.38019	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+IsoProp+H"	61.06479
"411582"	1332.291588	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+Na+K"	61.952376
"775857"	1982.949288	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+Na+K"	61.952376
"1665909"	681.633888	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Na+K"	61.952376
"252879"	2666.646568	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+ACN+Na"	64.015768
"1227409"	1365.331168	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+ACN+Na"	64.015768
"1713373"	1365.354693	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+NH4+HCOOH"	64.039293
"1178851"	456.761018	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+3Na"	68.967654
"1651534"	1370.310088	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Na+HCOOH"	68.994688
"162421"	2679.54984	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+2K-H"	76.91904
"598700"	3980.86524	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+2K-H"	76.91904
"1084465"	1378.23444	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2K-H"	76.91904
"143310"	1340.278558	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"2M+2K"	77.926316
"590531"	1990.936258	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"3M+2K"	77.926316
"1078322"	689.620858	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2K"	77.926316
"1110438"	1380.248992	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2K+H"	78.933592
"1340267"	1380.336607	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+DMSO+H"	79.021207
"1010983"	1384.375776	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2ACN+H"	83.060376
"1532390"	1385.369408	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+IsoProp+Na+H"	84.054008
"995559"	692.691526	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+2ACN+2H"	84.067652
"1594436"	1386.284028	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+K+HCOOH"	84.968628
"1424470"	1416.315538	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+H+CF3COOH"	115.000138
"1158038"	713.204801	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+3ACN+2H"	125.094202
"1708681"	1433.342085	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+NH4+CF3COOH"	132.026685
"1643238"	1438.29748	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+Na+CF3COOH"	136.98208
"1574514"	1454.27142	"C13872"	"Caldarchaeol"	"C86H172O6"	"1301.3154"	"M+K+CF3COOH"	152.95602
"816189"	1625.421	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M"	0
"988263"	1606.40261	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-H2O-H"	-19.01839
"73222"	1082.606724	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M-3H"	-3.021828
"510597"	1624.413724	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M-3H"	-3.021828
"882930"	540.799724	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-3H"	-3.021828
"10252"	1624.413724	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M-2H"	-2.014552
"448723"	2437.124224	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M-2H"	-2.014552
"823244"	811.703224	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-2H"	-2.014552
"85421"	3249.834724	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M-H"	-1.007276
"519996"	4875.255724	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M-H"	-1.007276
"899501"	1624.413724	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-H"	-1.007276
"51690"	3266.861271	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M-2H+NH4"	16.019271
"499639"	4892.282271	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M-2H+NH4"	16.019271
"874890"	1641.440271	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-2H+NH4"	16.019271
"41330"	3271.816666	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M-2H+Na"	20.974666
"483807"	4897.237666	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M-2H+Na"	20.974666
"859785"	1646.395666	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-2H+Na"	20.974666
"1627130"	1646.395666	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Na-2H"	20.974666
"101471"	1642.402063	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M-H+Cl"	33.962126
"541032"	2455.112563	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M-H+Cl"	33.962126
"932358"	829.691563	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-H+Cl"	33.962126
"275290"	3285.811402	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+Cl"	34.969402
"663701"	4911.232402	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+Cl"	34.969402
"1276835"	1660.390402	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Cl"	34.969402
"21945"	3287.790606	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M-2H+K"	36.948606
"457252"	4913.211606	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M-2H+K"	36.948606
"836025"	1662.369606	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-2H+K"	36.948606
"1557696"	1662.369606	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+K-2H"	36.948606
"949226"	1670.419194	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-H+HCOOH"	44.998194
"366348"	3295.840201	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+HCOOH-H"	44.998201
"348768"	3309.855851	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+Hac-H"	59.013851
"1494683"	1684.434851	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Hac-H"	59.013851
"961128"	1692.401151	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-H+NaCOOH"	66.980151
"111865"	1660.390402	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+2Cl"	69.938804
"551788"	2473.100902	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+2Cl"	69.938804
"1022285"	847.679902	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2Cl"	69.938804
"1241624"	1704.339885	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Br"	78.918885
"1310281"	1706.395872	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Cl+HCOOH"	80.974872
"1328874"	1728.377829	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Cl+NaCOOH"	102.956829
"922122"	1738.406586	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M-H+CF3COOH"	112.985586
"1298830"	1774.383264	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Cl+CF3COOH"	148.962264
"1369337"	1590.408324	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H-2H2O"	-35.012676
"1389021"	1608.4183	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H-H2O"	-17.0027
"293081"	3251.849276	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+H"	1.007276
"676751"	4877.270276	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+H"	1.007276
"1354195"	1626.428276	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H"	1.007276
"127082"	1626.428276	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+2H"	2.014552
"569929"	2439.138776	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+2H"	2.014552
"1043100"	813.717776	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2H"	2.014552
"212094"	1084.621276	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+3H"	3.021828
"650561"	1626.428276	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+3H"	3.021828
"1169780"	542.814276	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+3H"	3.021828
"430867"	3268.875823	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+NH4"	18.033823
"794048"	4894.296823	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+NH4"	18.033823
"1689285"	1643.454823	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+NH4"	18.033823
"339750"	1634.9415495	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+H+NH4"	19.041099
"725979"	2447.6520495	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+H+NH4"	19.041099
"1482714"	822.2310495	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H+NH4"	19.041099
"399209"	3273.831218	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+Na"	22.989218
"764578"	4899.252218	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+Na"	22.989218
"1608301"	1648.410218	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Na"	22.989218
"320526"	1637.419247	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+H+Na"	23.996494
"712946"	2450.129747	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+H+Na"	23.996494
"1467859"	824.708747	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H+Na"	23.996494
"1058918"	550.14159	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2H+Na"	25.00377
"1262780"	1658.454486	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+CH3OH+H"	33.033486
"379535"	3289.805158	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+K"	38.963158
"742351"	4915.226158	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+K"	38.963158
"1543312"	1664.384158	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+K"	38.963158
"300852"	1645.406217	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+H+K"	39.970434
"691566"	2458.116717	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+H+K"	39.970434
"1447824"	832.695717	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H+K"	39.970434
"236788"	3292.875826	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+ACN+H"	42.033826
"1211323"	1667.454826	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+ACN+H"	42.033826
"1195933"	834.231051	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+ACN+2H"	43.041102
"192453"	3295.81316	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+2Na-H"	44.97116
"633111"	4921.23416	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+2Na-H"	44.97116
"1144281"	1670.39216	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2Na-H"	44.97116
"180280"	1648.410218	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+2Na"	45.978436
"622757"	2461.120718	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+2Na"	45.978436
"1125168"	835.699718	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2Na"	45.978436
"1406503"	557.468904	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H+2Na"	46.985712
"1436433"	1672.433746	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H+HCOOH"	47.012746
"226129"	1653.44324	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+3H2O+2H"	56.04448
"1513462"	1686.48579	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+IsoProp+H"	61.06479
"420439"	1656.397188	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+Na+K"	61.952376
"782164"	2469.107688	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+Na+K"	61.952376
"1670111"	843.686688	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Na+K"	61.952376
"254448"	3314.857768	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+ACN+Na"	64.015768
"1227157"	1689.436768	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+ACN+Na"	64.015768
"1715304"	1689.460293	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+NH4+HCOOH"	64.039293
"1180295"	564.796218	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+3Na"	68.967654
"1651526"	1694.415688	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Na+HCOOH"	68.994688
"165811"	3327.76104	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+2K-H"	76.91904
"603185"	4953.18204	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+2K-H"	76.91904
"1090978"	1702.34004	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2K-H"	76.91904
"152169"	1664.384158	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"2M+2K"	77.926316
"590278"	2477.094658	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"3M+2K"	77.926316
"1078799"	851.673658	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2K"	77.926316
"1111643"	1704.354592	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2K+H"	78.933592
"1337461"	1704.442207	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+DMSO+H"	79.021207
"1007934"	1708.481376	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2ACN+H"	83.060376
"1530314"	1709.475008	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+IsoProp+Na+H"	84.054008
"995669"	854.744326	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+2ACN+2H"	84.067652
"1592358"	1710.389628	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+K+HCOOH"	84.968628
"1420206"	1740.421138	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+H+CF3COOH"	115.000138
"1157054"	875.257601	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+3ACN+2H"	125.094202
"1708791"	1757.447685	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+NH4+CF3COOH"	132.026685
"1649182"	1762.40308	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+Na+CF3COOH"	136.98208
"1581185"	1778.37702	"C13874"	"Gentiobiosyl-caldarchaeol;Glcbeta1-6Glcbeta-caldarchaeol"	"C98H192O16"	"1625.421"	"M+K+CF3COOH"	152.95602
"814838"	760.5856	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M"	0
"985091"	741.56721	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-H2O-H"	-19.01839
"70052"	506.049790666667	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M-3H"	-3.021828
"505239"	759.578324	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M-3H"	-3.021828
"881093"	252.521257333333	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-3H"	-3.021828
"10362"	759.578324	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M-2H"	-2.014552
"449926"	1139.871124	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M-2H"	-2.014552
"823354"	379.285524	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-2H"	-2.014552
"88810"	1520.163924	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M-H"	-1.007276
"521809"	2280.749524	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M-H"	-1.007276
"899611"	759.578324	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-H"	-1.007276
"52893"	1537.190471	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M-2H+NH4"	16.019271
"495738"	2297.776071	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M-2H+NH4"	16.019271
"875726"	776.604871	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-2H+NH4"	16.019271
"40347"	1542.145866	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M-2H+Na"	20.974666
"482093"	2302.731466	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M-2H+Na"	20.974666
"859895"	781.560266	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-2H+Na"	20.974666
"1626149"	781.560266	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Na-2H"	20.974666
"104864"	777.566663	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M-H+Cl"	33.962126
"543332"	1157.859463	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M-H+Cl"	33.962126
"934656"	397.273863	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-H+Cl"	33.962126
"275400"	1556.140602	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+Cl"	34.969402
"662352"	2316.726202	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+Cl"	34.969402
"1274758"	795.555002	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Cl"	34.969402
"18410"	1558.119806	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M-2H+K"	36.948606
"457606"	2318.705406	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M-2H+K"	36.948606
"834311"	797.534206	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-2H+K"	36.948606
"1557076"	797.534206	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+K-2H"	36.948606
"949336"	805.583794	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-H+HCOOH"	44.998194
"366458"	1566.169401	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+HCOOH-H"	44.998201
"347784"	1580.185051	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+Hac-H"	59.013851
"1494064"	819.599451	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Hac-H"	59.013851
"959903"	827.565751	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-H+NaCOOH"	66.980151
"112334"	795.555002	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+2Cl"	69.938804
"552260"	1175.847802	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+2Cl"	69.938804
"1022883"	415.262202	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2Cl"	69.938804
"1242095"	839.504485	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Br"	78.918885
"1305771"	841.560472	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Cl+HCOOH"	80.974872
"1330076"	863.542429	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Cl+NaCOOH"	102.956829
"913482"	873.571186	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M-H+CF3COOH"	112.985586
"1290192"	909.547864	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Cl+CF3COOH"	148.962264
"1367986"	725.572924	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H-2H2O"	-35.012676
"1389131"	743.5829	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H-H2O"	-17.0027
"293191"	1522.178476	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+H"	1.007276
"676374"	2282.764076	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+H"	1.007276
"1352236"	761.592876	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H"	1.007276
"127678"	761.592876	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+2H"	2.014552
"570039"	1141.885676	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+2H"	2.014552
"1041023"	381.300076	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2H"	2.014552
"213297"	508.064342666667	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+3H"	3.021828
"650671"	761.592876	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+3H"	3.021828
"1169890"	254.535809333333	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+3H"	3.021828
"434257"	1539.205023	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+NH4"	18.033823
"791971"	2299.790623	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+NH4"	18.033823
"1689395"	778.619423	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+NH4"	18.033823
"339860"	770.1061495	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+H+NH4"	19.041099
"730098"	1150.3989495	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+H+NH4"	19.041099
"1485009"	389.8133495	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H+NH4"	19.041099
"397129"	1544.160418	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+Na"	22.989218
"760314"	2304.746018	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+Na"	22.989218
"1610597"	783.574818	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Na"	22.989218
"322822"	772.583847	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+H+Na"	23.996494
"716335"	1152.876647	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+H+Na"	23.996494
"1467969"	392.291047	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H+Na"	23.996494
"1059026"	261.863123333333	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2H+Na"	25.00377
"1261797"	793.619086	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+CH3OH+H"	33.033486
"380373"	1560.134358	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+K"	38.963158
"741366"	2320.719958	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+K"	38.963158
"1543058"	799.548758	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+K"	38.963158
"300599"	780.570817	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+H+K"	39.970434
"691554"	1160.863617	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+H+K"	39.970434
"1445989"	400.278017	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H+K"	39.970434
"235816"	1563.205026	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+ACN+H"	42.033826
"1213619"	802.619426	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+ACN+H"	42.033826
"1196408"	401.813351	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+ACN+2H"	43.041102
"193655"	1566.14236	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+2Na-H"	44.97116
"631033"	2326.72796	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+2Na-H"	44.97116
"1144756"	805.55676	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2Na-H"	44.97116
"184400"	783.574818	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+2Na"	45.978436
"621773"	1163.867618	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+2Na"	45.978436
"1124184"	403.282018	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2Na"	45.978436
"1405520"	269.190437333333	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H+2Na"	46.985712
"1436542"	807.598346	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H+HCOOH"	47.012746
"227332"	788.60784	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+3H2O+2H"	56.04448
"1514301"	821.65039	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+IsoProp+H"	61.06479
"415080"	791.561788	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+Na+K"	61.952376
"777170"	1171.854588	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+Na+K"	61.952376
"1671314"	411.268988	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Na+K"	61.952376
"252977"	1585.186968	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+ACN+Na"	64.015768
"1228361"	824.601368	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+ACN+Na"	64.015768
"1715059"	824.624893	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+NH4+HCOOH"	64.039293
"1181507"	276.517751333333	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+3Na"	68.967654
"1650787"	829.580288	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Na+HCOOH"	68.994688
"165921"	1598.09024	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+2K-H"	76.91904
"603296"	2358.67584	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+2K-H"	76.91904
"1087806"	837.50464	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2K-H"	76.91904
"148999"	799.548758	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"2M+2K"	77.926316
"589653"	1179.841558	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"3M+2K"	77.926316
"1078544"	419.255958	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2K"	77.926316
"1112117"	839.519192	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2K+H"	78.933592
"1340487"	839.606807	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+DMSO+H"	79.021207
"1007072"	843.645976	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2ACN+H"	83.060376
"1530424"	844.639608	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+IsoProp+Na+H"	84.054008
"994686"	422.326626	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+2ACN+2H"	84.067652
"1594654"	845.554228	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+K+HCOOH"	84.968628
"1420316"	875.585738	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+H+CF3COOH"	115.000138
"1159351"	442.839901	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+3ACN+2H"	125.094202
"1708901"	892.612285	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+NH4+CF3COOH"	132.026685
"1646741"	897.56768	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+Na+CF3COOH"	136.98208
"1581295"	913.54162	"C13875"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H83NO8P"	"760.5856"	"M+K+CF3COOH"	152.95602
"816976"	744.5907	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M"	0
"985201"	725.57231	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-H2O-H"	-19.01839
"74535"	495.386524	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M-3H"	-3.021828
"510816"	743.583424	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M-3H"	-3.021828
"886430"	247.189624	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-3H"	-3.021828
"10472"	743.583424	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M-2H"	-2.014552
"446756"	1115.878774	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M-2H"	-2.014552
"823464"	371.288074	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-2H"	-2.014552
"84547"	1488.174124	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M-H"	-1.007276
"524106"	2232.764824	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M-H"	-1.007276
"899721"	743.583424	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-H"	-1.007276
"54096"	1505.200671	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M-2H+NH4"	16.019271
"493660"	2249.791371	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M-2H+NH4"	16.019271
"871462"	760.609971	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-2H+NH4"	16.019271
"41550"	1510.156066	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M-2H+Na"	20.974666
"477828"	2254.746766	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M-2H+Na"	20.974666
"861463"	765.565366	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-2H+Na"	20.974666
"1628443"	765.565366	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Na-2H"	20.974666
"102787"	761.571763	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M-H+Cl"	33.962126
"541252"	1133.867113	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M-H+Cl"	33.962126
"931850"	389.276413	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-H+Cl"	33.962126
"274417"	1524.150802	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+Cl"	34.969402
"663558"	2268.741502	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+Cl"	34.969402
"1278149"	779.560102	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Cl"	34.969402
"18520"	1526.130006	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M-2H+K"	36.948606
"460269"	2270.720706	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M-2H+K"	36.948606
"833695"	781.539306	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-2H+K"	36.948606
"1556093"	781.539306	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+K-2H"	36.948606
"948353"	789.588894	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-H+HCOOH"	44.998194
"361527"	1534.179601	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+HCOOH-H"	44.998201
"347166"	1548.195251	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+Hac-H"	59.013851
"1493444"	803.604551	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Hac-H"	59.013851
"958542"	811.570851	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-H+NaCOOH"	66.980151
"110987"	779.560102	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+2Cl"	69.938804
"551276"	1151.855452	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+2Cl"	69.938804
"1023725"	407.264752	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2Cl"	69.938804
"1241406"	823.509585	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Br"	78.918885
"1310501"	825.565572	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Cl+HCOOH"	80.974872
"1330186"	847.547529	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Cl+NaCOOH"	102.956829
"916872"	857.576286	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M-H+CF3COOH"	112.985586
"1291395"	893.552964	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Cl+CF3COOH"	148.962264
"1369555"	709.578024	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H-2H2O"	-35.012676
"1389241"	727.588	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H-H2O"	-17.0027
"292208"	1490.188676	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+H"	1.007276
"681348"	2234.779376	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+H"	1.007276
"1355508"	745.597976	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H"	1.007276
"131678"	745.597976	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+2H"	2.014552
"569420"	1117.893326	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+2H"	2.014552
"1045508"	373.302626	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2H"	2.014552
"213408"	497.401076	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+3H"	3.021828
"650782"	745.597976	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+3H"	3.021828
"1167813"	249.204176	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+3H"	3.021828
"432180"	1507.215223	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+NH4"	18.033823
"792081"	2251.805923	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+NH4"	18.033823
"1687318"	762.624523	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+NH4"	18.033823
"336689"	754.1112495	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+H+NH4"	19.041099
"732392"	1126.4065995	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+H+NH4"	19.041099
"1480746"	381.8158995	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H+NH4"	19.041099
"401612"	1512.170618	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+Na"	22.989218
"760423"	2256.761318	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+Na"	22.989218
"1609614"	767.579918	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Na"	22.989218
"320015"	756.588947	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+H+Na"	23.996494
"714257"	1128.884297	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+H+Na"	23.996494
"1465890"	384.293597	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H+Na"	23.996494
"1056220"	256.53149	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2H+Na"	25.00377
"1259721"	777.624186	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+CH3OH+H"	33.033486
"378659"	1528.144558	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+K"	38.963158
"740745"	2272.735258	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+K"	38.963158
"1540616"	783.553858	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+K"	38.963158
"299613"	764.575917	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+H+K"	39.970434
"694217"	1136.871267	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+H+K"	39.970434
"1446215"	392.280567	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H+K"	39.970434
"237736"	1531.215226	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+ACN+H"	42.033826
"1211546"	786.624526	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+ACN+H"	42.033826
"1195420"	393.815901	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+ACN+2H"	43.041102
"189393"	1534.15256	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+2Na-H"	44.97116
"628996"	2278.74326	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+2Na-H"	44.97116
"1140128"	789.56186	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2Na-H"	44.97116
"181230"	767.579918	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+2Na"	45.978436
"618600"	1139.875268	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+2Na"	45.978436
"1121376"	395.284568	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2Na"	45.978436
"1402712"	263.858804	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H+2Na"	46.985712
"1433371"	791.603446	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H+HCOOH"	47.012746
"223796"	772.61294	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+3H2O+2H"	56.04448
"1514411"	805.65549	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+IsoProp+H"	61.06479
"413368"	775.566888	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+Na+K"	61.952376
"776187"	1147.862238	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+Na+K"	61.952376
"1672518"	403.271538	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Na+K"	61.952376
"254303"	1553.197168	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+ACN+Na"	64.015768
"1229564"	808.606468	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+ACN+Na"	64.015768
"1713342"	808.629993	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+NH4+HCOOH"	64.039293
"1179788"	271.186118	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+3Na"	68.967654
"1651508"	813.585388	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Na+HCOOH"	68.994688
"158730"	1566.10044	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+2K-H"	76.91904
"597682"	2310.69114	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+2K-H"	76.91904
"1086090"	821.50974	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2K-H"	76.91904
"154580"	783.553858	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"2M+2K"	77.926316
"593044"	1155.849208	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"3M+2K"	77.926316
"1078652"	411.258508	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2K"	77.926316
"1111499"	823.524292	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2K+H"	78.933592
"1337802"	823.611907	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+DMSO+H"	79.021207
"1007425"	827.651076	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2ACN+H"	83.060376
"1529441"	828.644708	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+IsoProp+Na+H"	84.054008
"995889"	414.329176	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+2ACN+2H"	84.067652
"1596953"	829.559328	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+K+HCOOH"	84.968628
"1424800"	859.590838	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+H+CF3COOH"	115.000138
"1158368"	434.842451	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+3ACN+2H"	125.094202
"1705731"	876.617385	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+NH4+CF3COOH"	132.026685
"1643568"	881.57278	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+Na+CF3COOH"	136.98208
"1575937"	897.54672	"C13876"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine"	"C42H83NO7P"	"744.5907"	"M+K+CF3COOH"	152.95602
"815789"	717.5309	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M"	0
"984218"	698.51251	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-H2O-H"	-19.01839
"70273"	477.346657333333	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M-3H"	-3.021828
"510926"	716.523624	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M-3H"	-3.021828
"884355"	238.169690666667	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-3H"	-3.021828
"6211"	716.523624	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M-2H"	-2.014552
"445773"	1075.289074	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M-2H"	-2.014552
"823574"	357.758174	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-2H"	-2.014552
"86844"	1434.054524	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M-H"	-1.007276
"519963"	2151.585424	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M-H"	-1.007276
"898738"	716.523624	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-H"	-1.007276
"50926"	1451.081071	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M-2H+NH4"	16.019271
"495957"	2168.611971	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M-2H+NH4"	16.019271
"873760"	733.550171	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-2H+NH4"	16.019271
"39473"	1456.036466	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M-2H+Na"	20.974666
"477938"	2173.567366	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M-2H+Na"	20.974666
"860115"	738.505566	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-2H+Na"	20.974666
"1627460"	738.505566	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Na-2H"	20.974666
"102895"	734.511963	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M-H+Cl"	33.962126
"543547"	1093.277413	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M-H+Cl"	33.962126
"928314"	375.746513	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-H+Cl"	33.962126
"270516"	1470.031202	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+Cl"	34.969402
"663668"	2187.562102	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+Cl"	34.969402
"1278259"	752.500302	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Cl"	34.969402
"20453"	1472.010406	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M-2H+K"	36.948606
"463661"	2189.541306	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M-2H+K"	36.948606
"835627"	754.479506	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-2H+K"	36.948606
"1556568"	754.479506	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+K-2H"	36.948606
"951745"	762.529094	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-H+HCOOH"	44.998194
"363760"	1480.060001	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+HCOOH-H"	44.998201
"348374"	1494.075651	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+Hac-H"	59.013851
"1492778"	776.544751	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Hac-H"	59.013851
"958589"	784.511051	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-H+NaCOOH"	66.980151
"110369"	752.500302	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+2Cl"	69.938804
"550294"	1111.265752	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+2Cl"	69.938804
"1022741"	393.734852	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2Cl"	69.938804
"1241373"	796.449785	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Br"	78.918885
"1304653"	798.505772	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Cl+HCOOH"	80.974872
"1323731"	820.487729	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Cl+NaCOOH"	102.956829
"922449"	830.516486	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M-H+CF3COOH"	112.985586
"1296972"	866.493164	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Cl+CF3COOH"	148.962264
"1370759"	682.518224	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H-2H2O"	-35.012676
"1386069"	700.5282	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H-H2O"	-17.0027
"287941"	1436.069076	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+H"	1.007276
"681458"	2153.599976	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+H"	1.007276
"1354524"	718.538176	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H"	1.007276
"130694"	718.538176	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+2H"	2.014552
"570258"	1077.303626	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+2H"	2.014552
"1040149"	359.772726	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2H"	2.014552
"213518"	479.361209333333	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+3H"	3.021828
"650892"	718.538176	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+3H"	3.021828
"1167923"	240.184242666667	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+3H"	3.021828
"431197"	1453.095623	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+NH4"	18.033823
"790005"	2170.626523	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+NH4"	18.033823
"1687428"	735.564723	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+NH4"	18.033823
"335706"	727.0514495	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+H+NH4"	19.041099
"733595"	1085.8168995	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+H+NH4"	19.041099
"1481950"	368.2859995	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H+NH4"	19.041099
"400630"	1458.051018	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+Na"	22.989218
"761628"	2175.581918	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+Na"	22.989218
"1608631"	740.520118	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Na"	22.989218
"320855"	729.529147	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+H+Na"	23.996494
"714368"	1088.294597	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+H+Na"	23.996494
"1469280"	370.763697	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H+Na"	23.996494
"1056331"	247.511556666667	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2H+Na"	25.00377
"1259103"	750.564386	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+CH3OH+H"	33.033486
"379498"	1474.024958	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+K"	38.963158
"741583"	2191.555858	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+K"	38.963158
"1540118"	756.494058	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+K"	38.963158
"300810"	737.516117	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+H+K"	39.970434
"695054"	1096.281567	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+H+K"	39.970434
"1446931"	378.750667	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H+K"	39.970434
"238210"	1477.095626	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+ACN+H"	42.033826
"1212736"	759.564726	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+ACN+H"	42.033826
"1196623"	380.286001	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+ACN+2H"	43.041102
"190221"	1480.03296	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+2Na-H"	44.97116
"629429"	2197.56386	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+2Na-H"	44.97116
"1132943"	762.50206	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2Na-H"	44.97116
"178060"	740.520118	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+2Na"	45.978436
"618713"	1099.285568	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+2Na"	45.978436
"1117842"	381.754668	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2Na"	45.978436
"1401732"	254.838870666667	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H+2Na"	46.985712
"1432753"	764.543646	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H+HCOOH"	47.012746
"223179"	745.55314	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+3H2O+2H"	56.04448
"1513429"	778.59569	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+IsoProp+H"	61.06479
"412385"	748.507088	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+Na+K"	61.952376
"778484"	1107.272538	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+Na+K"	61.952376
"1677002"	389.741638	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Na+K"	61.952376
"259152"	1499.077568	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+ACN+Na"	64.015768
"1229674"	781.546668	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+ACN+Na"	64.015768
"1713209"	781.570193	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+NH4+HCOOH"	64.039293
"1179169"	262.166184666667	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+3Na"	68.967654
"1650888"	786.525588	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Na+HCOOH"	68.994688
"158113"	1511.98084	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+2K-H"	76.91904
"598034"	2229.51174	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+2K-H"	76.91904
"1085838"	794.44994	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2K-H"	76.91904
"151409"	756.494058	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"2M+2K"	77.926316
"592429"	1115.259508	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"3M+2K"	77.926316
"1077670"	397.728608	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2K"	77.926316
"1111608"	796.464492	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2K+H"	78.933592
"1337791"	796.552107	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+DMSO+H"	79.021207
"1008143"	800.591276	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2ACN+H"	83.060376
"1529550"	801.584908	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+IsoProp+Na+H"	84.054008
"993812"	400.799276	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+2ACN+2H"	84.067652
"1592690"	802.499528	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+K+HCOOH"	84.968628
"1424910"	832.531038	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+H+CF3COOH"	115.000138
"1160300"	421.312551	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+3ACN+2H"	125.094202
"1709121"	849.557585	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+NH4+CF3COOH"	132.026685
"1643678"	854.51298	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+Na+CF3COOH"	136.98208
"1576047"	870.48692	"C13877"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"	"C39H76NO8P"	"717.5309"	"M+K+CF3COOH"	152.95602
"815169"	701.5359	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M"	0
"984328"	682.51751	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-H2O-H"	-19.01839
"72570"	466.683324	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M-3H"	-3.021828
"511036"	700.528624	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M-3H"	-3.021828
"885558"	232.838024	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-3H"	-3.021828
"7415"	700.528624	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M-2H"	-2.014552
"445883"	1051.296574	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M-2H"	-2.014552
"823684"	349.760674	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-2H"	-2.014552
"86954"	1402.064524	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M-H"	-1.007276
"522139"	2103.600424	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M-H"	-1.007276
"899942"	700.528624	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-H"	-1.007276
"54317"	1419.091071	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M-2H+NH4"	16.019271
"496067"	2120.626971	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M-2H+NH4"	16.019271
"874599"	717.555171	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-2H+NH4"	16.019271
"39583"	1424.046466	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M-2H+Na"	20.974666
"478049"	2125.582366	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M-2H+Na"	20.974666
"856946"	722.510566	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-2H+Na"	20.974666
"1627570"	722.510566	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Na-2H"	20.974666
"104097"	718.516963	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M-H+Cl"	33.962126
"544750"	1069.284913	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M-H+Cl"	33.962126
"933891"	367.749013	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-H+Cl"	33.962126
"273542"	1438.041202	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+Cl"	34.969402
"667058"	2139.577102	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+Cl"	34.969402
"1278006"	736.505302	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Cl"	34.969402
"22021"	1440.020406	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M-2H+K"	36.948606
"464867"	2141.556306	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M-2H+K"	36.948606
"843760"	738.484506	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-2H+K"	36.948606
"1559594"	738.484506	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+K-2H"	36.948606
"950762"	746.534094	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-H+HCOOH"	44.998194
"363142"	1448.070001	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+HCOOH-H"	44.998201
"347754"	1462.085651	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+Hac-H"	59.013851
"1496218"	760.549751	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Hac-H"	59.013851
"962302"	768.516051	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-H+NaCOOH"	66.980151
"113397"	736.505302	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+2Cl"	69.938804
"554053"	1087.273252	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+2Cl"	69.938804
"1026131"	385.737352	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2Cl"	69.938804
"1243887"	780.454785	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Br"	78.918885
"1307804"	782.510772	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Cl+HCOOH"	80.974872
"1323474"	804.492729	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Cl+NaCOOH"	102.956829
"921465"	814.521486	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M-H+CF3COOH"	112.985586
"1297081"	850.498164	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Cl+CF3COOH"	148.962264
"1380710"	666.523224	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H-2H2O"	-35.012676
"1394926"	684.5332	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H-H2O"	-17.0027
"297407"	1404.079076	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+H"	1.007276
"687033"	2105.614976	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+H"	1.007276
"1362288"	702.543176	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H"	1.007276
"135178"	702.543176	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+2H"	2.014552
"569275"	1053.311126	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+2H"	2.014552
"1042447"	351.775226	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2H"	2.014552
"210348"	468.697876	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+3H"	3.021828
"654283"	702.543176	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+3H"	3.021828
"1170220"	234.852576	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+3H"	3.021828
"432400"	1421.105623	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+NH4"	18.033823
"794488"	2122.641523	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+NH4"	18.033823
"1687538"	719.569723	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+NH4"	18.033823
"336909"	711.0564495	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+H+NH4"	19.041099
"734799"	1061.8243995	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+H+NH4"	19.041099
"1486434"	360.2884995	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H+NH4"	19.041099
"401834"	1426.061018	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+Na"	22.989218
"762831"	2127.596918	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+Na"	22.989218
"1614208"	724.525118	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Na"	22.989218
"323152"	713.534147	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+H+Na"	23.996494
"715573"	1064.302097	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+H+Na"	23.996494
"1470484"	362.766197	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H+Na"	23.996494
"1058263"	242.17989	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2H+Na"	25.00377
"1263221"	734.569386	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+CH3OH+H"	33.033486
"382889"	1442.034958	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+K"	38.963158
"743882"	2143.570858	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+K"	38.963158
"1542291"	740.499058	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+K"	38.963158
"301653"	721.521117	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+H+K"	39.970434
"694073"	1072.289067	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+H+K"	39.970434
"1448264"	370.753167	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H+K"	39.970434
"239049"	1445.105626	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+ACN+H"	42.033826
"1212488"	743.569726	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+ACN+H"	42.033826
"1196736"	372.288501	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+ACN+2H"	43.041102
"190698"	1448.04296	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+2Na-H"	44.97116
"635737"	2149.57886	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+2Na-H"	44.97116
"1135240"	746.50706	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2Na-H"	44.97116
"181450"	724.525118	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+2Na"	45.978436
"617730"	1075.293068	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+2Na"	45.978436
"1117587"	373.757168	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2Na"	45.978436
"1401479"	249.507204	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H+2Na"	46.985712
"1435780"	748.548646	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H+HCOOH"	47.012746
"227663"	729.55814	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+3H2O+2H"	56.04448
"1514632"	762.60069	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+IsoProp+H"	61.06479
"419785"	732.512088	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+Na+K"	61.952376
"776406"	1083.280038	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+Na+K"	61.952376
"1678205"	381.744138	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Na+K"	61.952376
"262542"	1467.087568	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+ACN+Na"	64.015768
"1234158"	765.551668	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+ACN+Na"	64.015768
"1721949"	765.575193	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+NH4+HCOOH"	64.039293
"1184022"	256.834518	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+3Na"	68.967654
"1655008"	770.530588	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Na+HCOOH"	68.994688
"161870"	1479.99084	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+2K-H"	76.91904
"599243"	2181.52674	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+2K-H"	76.91904
"1089229"	778.45494	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2K-H"	76.91904
"147146"	740.499058	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"2M+2K"	77.926316
"586345"	1091.267008	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"3M+2K"	77.926316
"1072313"	389.731108	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2K"	77.926316
"1106616"	780.469492	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2K+H"	78.933592
"1336440"	780.557107	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+DMSO+H"	79.021207
"1006187"	784.596276	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2ACN+H"	83.060376
"1524917"	785.589908	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+IsoProp+Na+H"	84.054008
"991977"	392.801776	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+2ACN+2H"	84.067652
"1590613"	786.504528	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+K+HCOOH"	84.968628
"1420646"	816.536038	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+H+CF3COOH"	115.000138
"1158953"	413.315051	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+3ACN+2H"	125.094202
"1708138"	833.562585	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+NH4+CF3COOH"	132.026685
"1643788"	838.51798	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+Na+CF3COOH"	136.98208
"1575064"	854.49192	"C13878"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine"	"C39H76NO7P"	"701.5359"	"M+K+CF3COOH"	152.95602
"816009"	761.5207	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M"	0
"987719"	742.50231	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-H2O-H"	-19.01839
"73774"	506.673190666667	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M-3H"	-3.021828
"512240"	760.513424	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M-3H"	-3.021828
"884575"	252.832957333333	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-3H"	-3.021828
"7524"	760.513424	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M-2H"	-2.014552
"452553"	1141.273774	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M-2H"	-2.014552
"823794"	379.753074	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-2H"	-2.014552
"85971"	1522.034124	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M-H"	-1.007276
"527716"	2283.554824	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M-H"	-1.007276
"902238"	760.513424	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-H"	-1.007276
"55520"	1539.060671	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M-2H+NH4"	16.019271
"496177"	2300.581371	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M-2H+NH4"	16.019271
"872884"	777.539971	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-2H+NH4"	16.019271
"41878"	1544.016066	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M-2H+Na"	20.974666
"482532"	2305.536766	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M-2H+Na"	20.974666
"858146"	782.495366	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-2H+Na"	20.974666
"1630596"	782.495366	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Na-2H"	20.974666
"102020"	778.501763	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M-H+Cl"	33.962126
"543767"	1159.262113	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M-H+Cl"	33.962126
"932908"	397.741413	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-H+Cl"	33.962126
"269642"	1558.010802	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+Cl"	34.969402
"666075"	2319.531502	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+Cl"	34.969402
"1279573"	796.490102	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Cl"	34.969402
"24682"	1559.990006	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M-2H+K"	36.948606
"467163"	2321.510706	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M-2H+K"	36.948606
"842775"	798.469306	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-2H+K"	36.948606
"1559343"	798.469306	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+K-2H"	36.948606
"949779"	806.518894	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-H+HCOOH"	44.998194
"363616"	1568.039601	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+HCOOH-H"	44.998201
"347134"	1582.055251	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+Hac-H"	59.013851
"1493898"	820.534551	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Hac-H"	59.013851
"959494"	828.500851	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-H+NaCOOH"	66.980151
"112048"	796.490102	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+2Cl"	69.938804
"551974"	1177.250452	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+2Cl"	69.938804
"1025877"	415.729752	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2Cl"	69.938804
"1242539"	840.439585	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Br"	78.918885
"1314110"	842.495572	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Cl+HCOOH"	80.974872
"1324316"	864.477529	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Cl+NaCOOH"	102.956829
"926809"	874.506286	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M-H+CF3COOH"	112.985586
"1303387"	910.482964	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Cl+CF3COOH"	148.962264
"1376446"	726.508024	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H-2H2O"	-35.012676
"1396129"	744.518	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H-H2O"	-17.0027
"293627"	1524.048676	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+H"	1.007276
"689329"	2285.569376	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+H"	1.007276
"1362398"	762.527976	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H"	1.007276
"136381"	762.527976	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+2H"	2.014552
"571571"	1143.288326	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+2H"	2.014552
"1046930"	381.767626	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2H"	2.014552
"212645"	508.687742666667	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+3H"	3.021828
"655486"	762.527976	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+3H"	3.021828
"1172517"	254.847509333333	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+3H"	3.021828
"433603"	1541.075223	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+NH4"	18.033823
"795691"	2302.595923	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+NH4"	18.033823
"1687649"	779.554523	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+NH4"	18.033823
"337020"	771.0412495	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+H+NH4"	19.041099
"736369"	1151.8015995	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+H+NH4"	19.041099
"1485453"	390.2808995	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H+NH4"	19.041099
"399759"	1546.030618	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+Na"	22.989218
"764035"	2307.551318	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+Na"	22.989218
"1613225"	784.509918	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Na"	22.989218
"324356"	773.518947	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+H+Na"	23.996494
"715683"	1154.279297	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+H+Na"	23.996494
"1469500"	392.758597	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H+Na"	23.996494
"1058373"	262.174823333333	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2H+Na"	25.00377
"1264425"	794.554186	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+CH3OH+H"	33.033486
"384091"	1562.004558	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+K"	38.963158
"743992"	2323.525258	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+K"	38.963158
"1543494"	800.483858	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+K"	38.963158
"301399"	781.505917	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+H+K"	39.970434
"694183"	1162.266267	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+H+K"	39.970434
"1447278"	400.745567	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H+K"	39.970434
"238067"	1565.075226	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+ACN+H"	42.033826
"1211138"	803.554526	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+ACN+H"	42.033826
"1195391"	402.280901	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+ACN+2H"	43.041102
"190447"	1568.01256	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+2Na-H"	44.97116
"635847"	2329.53326	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+2Na-H"	44.97116
"1135348"	806.49186	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2Na-H"	44.97116
"177911"	784.509918	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+2Na"	45.978436
"619293"	1165.270268	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+2Na"	45.978436
"1120611"	403.749568	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2Na"	45.978436
"1404863"	269.502137333333	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H+2Na"	46.985712
"1435890"	808.533446	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H+HCOOH"	47.012746
"227773"	789.54294	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+3H2O+2H"	56.04448
"1514742"	822.58549	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+IsoProp+H"	61.06479
"419895"	792.496888	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+Na+K"	61.952376
"777610"	1173.257238	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+Na+K"	61.952376
"1678315"	411.736538	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Na+K"	61.952376
"262652"	1587.057168	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+ACN+Na"	64.015768
"1240344"	825.536468	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+ACN+Na"	64.015768
"1718779"	825.559993	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+NH4+HCOOH"	64.039293
"1183039"	276.829451333333	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+3Na"	68.967654
"1654024"	830.515388	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Na+HCOOH"	68.994688
"161980"	1599.96044	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+2K-H"	76.91904
"600446"	2361.48114	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+2K-H"	76.91904
"1088239"	838.43974	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2K-H"	76.91904
"149080"	800.483858	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"2M+2K"	77.926316
"589369"	1181.244208	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"3M+2K"	77.926316
"1074610"	419.723508	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2K"	77.926316
"1106726"	840.454292	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2K+H"	78.933592
"1343114"	840.541907	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+DMSO+H"	79.021207
"1008364"	844.581076	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2ACN+H"	83.060376
"1531958"	845.574708	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+IsoProp+Na+H"	84.054008
"996219"	422.794176	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+2ACN+2H"	84.067652
"1596191"	846.489328	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+K+HCOOH"	84.968628
"1425130"	876.520838	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+H+CF3COOH"	115.000138
"1158700"	443.307451	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+3ACN+2H"	125.094202
"1708248"	893.547385	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+NH4+CF3COOH"	132.026685
"1643898"	898.50278	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+Na+CF3COOH"	136.98208
"1575174"	914.47672	"C13880"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine"	"C40H76NO10P"	"761.5207"	"M+K+CF3COOH"	152.95602
"816442"	137.9052	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M"	0
"987827"	118.88681	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-H2O-H"	-19.01839
"71695"	90.929524	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M-3H"	-3.021828
"510162"	136.897924	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M-3H"	-3.021828
"884685"	44.961124	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-3H"	-3.021828
"7634"	136.897924	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M-2H"	-2.014552
"451570"	205.850524	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M-2H"	-2.014552
"824995"	67.945324	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-2H"	-2.014552
"87174"	274.803124	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M-H"	-1.007276
"523452"	412.708324	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M-H"	-1.007276
"903441"	136.897924	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-H"	-1.007276
"55629"	291.829671	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M-2H+NH4"	16.019271
"497380"	429.734871	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M-2H+NH4"	16.019271
"872994"	153.924471	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-2H+NH4"	16.019271
"38708"	296.785066	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M-2H+Na"	20.974666
"481548"	434.690266	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M-2H+Na"	20.974666
"858256"	158.879866	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-2H+Na"	20.974666
"1633828"	158.879866	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Na-2H"	20.974666
"105411"	154.886263	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M-H+Cl"	33.962126
"543877"	223.838863	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M-H+Cl"	33.962126
"933018"	85.933663	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-H+Cl"	33.962126
"273761"	310.779802	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+Cl"	34.969402
"665092"	448.685002	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+Cl"	34.969402
"1279319"	172.874602	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Cl"	34.969402
"28803"	312.759006	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M-2H+K"	36.948606
"465086"	450.664206	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M-2H+K"	36.948606
"842887"	174.853806	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-2H+K"	36.948606
"1559089"	174.853806	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+K-2H"	36.948606
"949891"	182.903394	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-H+HCOOH"	44.998194
"361906"	320.808601	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+HCOOH-H"	44.998201
"345868"	334.824251	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+Hac-H"	59.013851
"1493885"	196.919051	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Hac-H"	59.013851
"959482"	204.885351	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-H+NaCOOH"	66.980151
"110702"	172.874602	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+2Cl"	69.938804
"551110"	241.827202	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+2Cl"	69.938804
"1022462"	103.922002	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2Cl"	69.938804
"1241467"	216.824085	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Br"	78.918885
"1304566"	218.880072	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Cl+HCOOH"	80.974872
"1324062"	240.862029	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Cl+NaCOOH"	102.956829
"925818"	250.890786	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M-H+CF3COOH"	112.985586
"1302646"	286.867464	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Cl+CF3COOH"	148.962264
"1376556"	102.892524	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H-2H2O"	-35.012676
"1392959"	120.9025	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H-H2O"	-17.0027
"290457"	276.817676	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+H"	1.007276
"681786"	414.722876	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+H"	1.007276
"1362508"	138.912476	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H"	1.007276
"137585"	138.912476	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+2H"	2.014552
"572775"	207.865076	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+2H"	2.014552
"1047040"	69.959876	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2H"	2.014552
"213848"	92.944076	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+3H"	3.021828
"654503"	138.912476	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+3H"	3.021828
"1171534"	46.975676	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+3H"	3.021828
"432619"	293.844223	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+NH4"	18.033823
"795801"	431.749423	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+NH4"	18.033823
"1686666"	155.939023	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+NH4"	18.033823
"337130"	147.4257495	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+H+NH4"	19.041099
"735752"	216.3783495	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+H+NH4"	19.041099
"1481918"	78.4731495	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H+NH4"	19.041099
"398775"	298.799618	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+Na"	22.989218
"760865"	436.704818	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+Na"	22.989218
"1610054"	160.894418	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Na"	22.989218
"323373"	149.903447	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+H+Na"	23.996494
"716886"	218.856047	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+H+Na"	23.996494
"1468519"	80.950847	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H+Na"	23.996494
"1058483"	54.30299	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2H+Na"	25.00377
"1264534"	170.938686	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+CH3OH+H"	33.033486
"382015"	314.773558	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+K"	38.963158
"743009"	452.678758	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+K"	38.963158
"1545066"	176.868358	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+K"	38.963158
"300055"	157.890417	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+H+K"	39.970434
"694294"	226.843017	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+H+K"	39.970434
"1447751"	88.937817	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H+K"	39.970434
"238177"	317.844226	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+ACN+H"	42.033826
"1211976"	179.939026	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+ACN+H"	42.033826
"1196230"	90.473151	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+ACN+2H"	43.041102
"191285"	320.78156	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+2Na-H"	44.97116
"634136"	458.68676	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+2Na-H"	44.97116
"1133271"	182.87636	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2Na-H"	44.97116
"178021"	160.894418	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+2Na"	45.978436
"620496"	229.847018	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+2Na"	45.978436
"1120721"	91.941818	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2Na"	45.978436
"1404973"	61.630304	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H+2Na"	46.985712
"1433446"	184.917946	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H+HCOOH"	47.012746
"227883"	165.92744	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+3H2O+2H"	56.04448
"1514852"	198.96999	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+IsoProp+H"	61.06479
"417818"	168.881388	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+Na+K"	61.952376
"777718"	237.833988	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+Na+K"	61.952376
"1674051"	99.928788	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Na+K"	61.952376
"262762"	339.826168	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+ACN+Na"	64.015768
"1239845"	201.920968	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+ACN+Na"	64.015768
"1717794"	201.944493	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+NH4+HCOOH"	64.039293
"1183147"	68.957618	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+3Na"	68.967654
"1651947"	206.899888	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Na+HCOOH"	68.994688
"159903"	352.72944	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+2K-H"	76.91904
"599462"	490.63464	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+2K-H"	76.91904
"1088349"	214.82424	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2K-H"	76.91904
"151376"	176.868358	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"2M+2K"	77.926316
"591666"	245.820958	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"3M+2K"	77.926316
"1073626"	107.915758	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2K"	77.926316
"1107929"	216.838792	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2K+H"	78.933592
"1342131"	216.926407	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+DMSO+H"	79.021207
"1016127"	220.965576	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2ACN+H"	83.060376
"1535347"	221.959208	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+IsoProp+Na+H"	84.054008
"999608"	110.986426	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+2ACN+2H"	84.067652
"1597394"	222.873828	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+K+HCOOH"	84.968628
"1426333"	252.905338	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+H+CF3COOH"	115.000138
"1158810"	131.499701	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+3ACN+2H"	125.094202
"1707265"	269.931885	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+NH4+CF3COOH"	132.026685
"1644008"	274.88728	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+Na+CF3COOH"	136.98208
"1575284"	290.86122	"C13881"	"Barium cation;Ba2;Barium(2);Barium ion"	"Ba"	"137.9052"	"M+K+CF3COOH"	152.95602
"816231"	748.5254	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M"	0
"987940"	729.50701	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-H2O-H"	-19.01839
"73992"	498.009657333333	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M-3H"	-3.021828
"513552"	747.518124	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M-3H"	-3.021828
"884795"	248.501190666667	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-3H"	-3.021828
"5555"	747.518124	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M-2H"	-2.014552
"441836"	1121.780824	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M-2H"	-2.014552
"822917"	373.255424	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-2H"	-2.014552
"86189"	1496.043524	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M-H"	-1.007276
"521374"	2244.568924	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M-H"	-1.007276
"900271"	747.518124	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-H"	-1.007276
"52459"	1513.070071	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M-2H+NH4"	16.019271
"497490"	2261.595471	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M-2H+NH4"	16.019271
"874197"	764.544671	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-2H+NH4"	16.019271
"44286"	1518.025466	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M-2H+Na"	20.974666
"481658"	2266.550866	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M-2H+Na"	20.974666
"855086"	769.500066	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-2H+Na"	20.974666
"1632274"	769.500066	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Na-2H"	20.974666
"103334"	765.506463	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M-H+Cl"	33.962126
"537427"	1139.769163	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M-H+Cl"	33.962126
"927291"	391.243763	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-H+Cl"	33.962126
"267249"	1532.020202	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+Cl"	34.969402
"663742"	2280.545602	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+Cl"	34.969402
"1276877"	783.494802	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Cl"	34.969402
"27819"	1533.999406	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M-2H+K"	36.948606
"467382"	2282.524806	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M-2H+K"	36.948606
"846642"	785.474006	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-2H+K"	36.948606
"1559199"	785.474006	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+K-2H"	36.948606
"952187"	793.523594	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-H+HCOOH"	44.998194
"364934"	1542.049001	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+HCOOH-H"	44.998201
"348817"	1556.064651	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+Hac-H"	59.013851
"1493268"	807.539251	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Hac-H"	59.013851
"959230"	815.505551	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-H+NaCOOH"	66.980151
"110811"	783.494802	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+2Cl"	69.938804
"550736"	1157.757502	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+2Cl"	69.938804
"1025003"	409.232102	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2Cl"	69.938804
"1241665"	827.444285	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Br"	78.918885
"1305571"	829.500272	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Cl+HCOOH"	80.974872
"1323443"	851.482229	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Cl+NaCOOH"	102.956829
"922890"	861.510986	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M-H+CF3COOH"	112.985586
"1301786"	897.487664	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Cl+CF3COOH"	148.962264
"1377761"	713.512724	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H-2H2O"	-35.012676
"1391976"	731.5227	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H-H2O"	-17.0027
"291662"	1498.058076	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+H"	1.007276
"681895"	2246.583476	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+H"	1.007276
"1359338"	749.532676	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H"	1.007276
"134415"	749.532676	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+2H"	2.014552
"576164"	1123.795376	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+2H"	2.014552
"1044964"	375.269976	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2H"	2.014552
"213958"	500.024209333333	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+3H"	3.021828
"653519"	749.532676	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+3H"	3.021828
"1172737"	250.515742666667	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+3H"	3.021828
"431636"	1515.084623	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+NH4"	18.033823
"797005"	2263.610023	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+NH4"	18.033823
"1688962"	766.559223	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+NH4"	18.033823
"337240"	758.0459495	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+H+NH4"	19.041099
"735129"	1132.3086495	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+H+NH4"	19.041099
"1484581"	383.7832495	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H+NH4"	19.041099
"399978"	1520.040018	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+Na"	22.989218
"763162"	2268.565418	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+Na"	22.989218
"1611258"	771.514618	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Na"	22.989218
"321297"	760.523647	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+H+Na"	23.996494
"716997"	1134.786347	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+H+Na"	23.996494
"1470816"	386.260947	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H+Na"	23.996494
"1061874"	257.843056666667	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2H+Na"	25.00377
"1264644"	781.558886	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+CH3OH+H"	33.033486
"384312"	1536.013958	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+K"	38.963158
"742026"	2284.539358	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+K"	38.963158
"1546265"	787.488558	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+K"	38.963158
"304536"	768.510617	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+H+K"	39.970434
"695864"	1142.773317	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+H+K"	39.970434
"1452963"	394.247917	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H+K"	39.970434
"238287"	1539.084626	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+ACN+H"	42.033826
"1212451"	790.559226	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+ACN+H"	42.033826
"1195970"	395.783251	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+ACN+2H"	43.041102
"190057"	1542.02196	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+2Na-H"	44.97116
"635340"	2290.54736	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+2Na-H"	44.97116
"1134110"	793.49656	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2Na-H"	44.97116
"178860"	771.514618	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+2Na"	45.978436
"619514"	1145.777318	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+2Na"	45.978436
"1117916"	397.251918	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2Na"	45.978436
"1405085"	265.170370666667	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H+2Na"	46.985712
"1433192"	795.538146	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H+HCOOH"	47.012746
"230180"	776.54764	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+3H2O+2H"	56.04448
"1518241"	809.59019	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+IsoProp+H"	61.06479
"417928"	779.501588	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+Na+K"	61.952376
"776735"	1153.764288	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+Na+K"	61.952376
"1675255"	405.238888	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Na+K"	61.952376
"261779"	1561.066568	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+ACN+Na"	64.015768
"1238862"	812.541168	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+ACN+Na"	64.015768
"1720091"	812.564693	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+NH4+HCOOH"	64.039293
"1183259"	272.497684666667	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+3Na"	68.967654
"1653151"	817.520088	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Na+HCOOH"	68.994688
"158920"	1573.96984	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+2K-H"	76.91904
"599574"	2322.49524	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+2K-H"	76.91904
"1086272"	825.44444	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2K-H"	76.91904
"148570"	787.488558	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"2M+2K"	77.926316
"590319"	1161.751258	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"3M+2K"	77.926316
"1079205"	413.225858	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2K"	77.926316
"1110227"	827.458992	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2K+H"	78.933592
"1348438"	827.546607	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+DMSO+H"	79.021207
"1018790"	831.585776	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2ACN+H"	83.060376
"1538372"	832.579408	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+IsoProp+Na+H"	84.054008
"1000811"	416.296526	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+2ACN+2H"	84.067652
"1601028"	833.494028	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+K+HCOOH"	84.968628
"1427536"	863.525538	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+H+CF3COOH"	115.000138
"1160013"	436.809801	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+3ACN+2H"	125.094202
"1707375"	880.552085	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+NH4+CF3COOH"	132.026685
"1648129"	885.50748	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+Na+CF3COOH"	136.98208
"1581955"	901.48142	"C13883"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol"	"C40H77O10P"	"748.5254"	"M+K+CF3COOH"	152.95602
"816581"	87.9056	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M"	0
"982579"	68.88721	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-H2O-H"	-19.01839
"66447"	57.5964573333333	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M-3H"	-3.021828
"507099"	86.898324	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M-3H"	-3.021828
"884904"	28.2945906666667	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-3H"	-3.021828
"5664"	86.898324	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M-2H"	-2.014552
"443039"	130.851124	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M-2H"	-2.014552
"821933"	42.945524	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-2H"	-2.014552
"81925"	174.803924	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M-H"	-1.007276
"520026"	262.709524	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M-H"	-1.007276
"900381"	86.898324	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-H"	-1.007276
"52569"	191.830471	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M-2H+NH4"	16.019271
"496507"	279.736071	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M-2H+NH4"	16.019271
"874307"	103.924871	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-2H+NH4"	16.019271
"43303"	196.785866	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M-2H+Na"	20.974666
"480675"	284.691466	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M-2H+Na"	20.974666
"862975"	108.880266	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-2H+Na"	20.974666
"1632752"	108.880266	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Na-2H"	20.974666
"102351"	104.886663	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M-H+Cl"	33.962126
"536443"	148.839463	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M-H+Cl"	33.962126
"927229"	60.933863	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-H+Cl"	33.962126
"267539"	210.780602	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+Cl"	34.969402
"661420"	298.686202	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+Cl"	34.969402
"1275164"	122.875002	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Cl"	34.969402
"22461"	212.759806	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M-2H+K"	36.948606
"466397"	300.665406	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M-2H+K"	36.948606
"844200"	124.854206	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-2H+K"	36.948606
"1557122"	124.854206	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+K-2H"	36.948606
"950109"	132.903794	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-H+HCOOH"	44.998194
"363951"	220.809401	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+HCOOH-H"	44.998201
"346051"	234.825051	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+Hac-H"	59.013851
"1494228"	146.919451	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Hac-H"	59.013851
"959097"	154.885751	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-H+NaCOOH"	66.980151
"111283"	122.875002	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+2Cl"	69.938804
"551938"	166.827802	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+2Cl"	69.938804
"1025112"	78.922202	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2Cl"	69.938804
"1241529"	166.824485	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Br"	78.918885
"1305316"	168.880472	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Cl+HCOOH"	80.974872
"1321366"	190.862429	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Cl+NaCOOH"	102.956829
"911430"	200.891186	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M-H+CF3COOH"	112.985586
"1288618"	236.867864	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Cl+CF3COOH"	148.962264
"1376777"	52.892924	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H-2H2O"	-35.012676
"1389899"	70.9029	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H-H2O"	-17.0027
"290678"	176.818476	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+H"	1.007276
"678725"	264.724076	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+H"	1.007276
"1357261"	88.912876	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H"	1.007276
"133432"	88.912876	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+2H"	2.014552
"577367"	132.865676	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+2H"	2.014552
"1045074"	44.960076	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2H"	2.014552
"212975"	59.6110093333333	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+3H"	3.021828
"653629"	88.912876	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+3H"	3.021828
"1173941"	30.3091426666667	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+3H"	3.021828
"436120"	193.845023	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+NH4"	18.033823
"798208"	281.750623	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+NH4"	18.033823
"1691259"	105.939423	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+NH4"	18.033823
"342818"	97.4261495	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+H+NH4"	19.041099
"737308"	141.3789495	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+H+NH4"	19.041099
"1484690"	53.4733495	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H+NH4"	19.041099
"401181"	198.800418	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+Na"	22.989218
"763271"	286.706018	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+Na"	22.989218
"1611368"	110.894818	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Na"	22.989218
"321404"	99.903847	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+H+Na"	23.996494
"716013"	143.856647	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+H+Na"	23.996494
"1468738"	55.951047	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H+Na"	23.996494
"1058703"	37.6364566666667	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2H+Na"	25.00377
"1268032"	120.939086	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+CH3OH+H"	33.033486
"383329"	214.774358	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+K"	38.963158
"742136"	302.679958	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+K"	38.963158
"1545282"	126.868758	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+K"	38.963158
"304647"	107.890817	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+H+K"	39.970434
"697067"	151.843617	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+H+K"	39.970434
"1454167"	63.938017	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H+K"	39.970434
"239489"	217.845026	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+ACN+H"	42.033826
"1213290"	129.939426	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+ACN+H"	42.033826
"1197173"	65.473351	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+ACN+2H"	43.041102
"190165"	220.78236	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+2Na-H"	44.97116
"635086"	308.68796	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+2Na-H"	44.97116
"1133491"	132.87676	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2Na-H"	44.97116
"178970"	110.894818	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+2Na"	45.978436
"619988"	154.847618	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+2Na"	45.978436
"1119119"	66.942018	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2Na"	45.978436
"1406288"	44.9637706666667	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H+2Na"	46.985712
"1436220"	134.918346	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H+HCOOH"	47.012746
"231384"	115.92784	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+3H2O+2H"	56.04448
"1517258"	148.97039	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+IsoProp+H"	61.06479
"418038"	118.881788	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+Na+K"	61.952376
"776844"	162.834588	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+Na+K"	61.952376
"1675365"	74.928988	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Na+K"	61.952376
"260795"	239.826968	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+ACN+Na"	64.015768
"1238608"	151.921368	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+ACN+Na"	64.015768
"1716921"	151.944893	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+NH4+HCOOH"	64.039293
"1182275"	52.2910846666667	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+3Na"	68.967654
"1652169"	156.900288	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Na+HCOOH"	68.994688
"160124"	252.73024	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+2K-H"	76.91904
"600778"	340.63584	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+2K-H"	76.91904
"1086017"	164.82464	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2K-H"	76.91904
"148680"	126.868758	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"2M+2K"	77.926316
"591521"	170.821558	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"3M+2K"	77.926316
"1078222"	82.915958	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2K"	77.926316
"1108150"	166.839192	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2K+H"	78.933592
"1349642"	166.926807	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+DMSO+H"	79.021207
"1019628"	170.965976	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2ACN+H"	83.060376
"1536659"	171.959608	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+IsoProp+Na+H"	84.054008
"1000921"	85.986626	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+2ACN+2H"	84.067652
"1601258"	172.874228	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+K+HCOOH"	84.968628
"1427646"	202.905738	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+H+CF3COOH"	115.000138
"1159758"	106.499901	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+3ACN+2H"	125.094202
"1708578"	219.932285	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+NH4+CF3COOH"	132.026685
"1645325"	224.88768	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+Na+CF3COOH"	136.98208
"1582065"	240.86162	"C13884"	"Strontium cation;Sr2;Strontium(2);Strontium ion"	"Sr"	"87.9056"	"M+K+CF3COOH"	152.95602
"812436"	828.4918	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M"	0
"982687"	809.47341	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-H2O-H"	-19.01839
"64731"	551.320590666667	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M-3H"	-3.021828
"504292"	827.484524	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M-3H"	-3.021828
"881728"	275.156657333333	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-3H"	-3.021828
"2490"	827.484524	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M-2H"	-2.014552
"440068"	1241.730424	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M-2H"	-2.014552
"817416"	413.238624	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-2H"	-2.014552
"79843"	1655.976324	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M-H"	-1.007276
"521583"	2484.468124	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M-H"	-1.007276
"899385"	827.484524	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-H"	-1.007276
"49748"	1673.002871	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M-2H+NH4"	16.019271
"488593"	2501.494671	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M-2H+NH4"	16.019271
"864811"	844.511071	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-2H+NH4"	16.019271
"33569"	1677.958266	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M-2H+Na"	20.974666
"473129"	2506.450066	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M-2H+Na"	20.974666
"850930"	849.466466	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-2H+Na"	20.974666
"1619368"	849.466466	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Na-2H"	20.974666
"95281"	845.472863	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M-H+Cl"	33.962126
"535816"	1259.718763	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M-H+Cl"	33.962126
"928240"	431.226963	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-H+Cl"	33.962126
"269343"	1691.953002	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+Cl"	34.969402
"660792"	2520.444802	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+Cl"	34.969402
"1274781"	863.461202	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Cl"	34.969402
"17827"	1693.932206	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M-2H+K"	36.948606
"461037"	2522.424006	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M-2H+K"	36.948606
"838842"	865.440406	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-2H+K"	36.948606
"1562334"	865.440406	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+K-2H"	36.948606
"949124"	873.489994	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-H+HCOOH"	44.998194
"365516"	1701.981801	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+HCOOH-H"	44.998201
"350129"	1715.997451	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+Hac-H"	59.013851
"1493975"	887.505651	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Hac-H"	59.013851
"961759"	895.471951	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-H+NaCOOH"	66.980151
"112124"	863.461202	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+2Cl"	69.938804
"554603"	1277.707102	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+2Cl"	69.938804
"1026680"	449.215302	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2Cl"	69.938804
"1245894"	907.410685	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Br"	78.918885
"1311988"	909.466672	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Cl+HCOOH"	80.974872
"1321098"	931.448629	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Cl+NaCOOH"	102.956829
"913626"	941.477386	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M-H+CF3COOH"	112.985586
"1290329"	977.454064	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Cl+CF3COOH"	148.962264
"1376884"	793.479124	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H-2H2O"	-35.012676
"1390006"	811.4891	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H-H2O"	-17.0027
"292972"	1657.990876	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+H"	1.007276
"681019"	2486.482676	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+H"	1.007276
"1352263"	829.499076	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H"	1.007276
"134634"	829.499076	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+2H"	2.014552
"570911"	1243.744976	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+2H"	2.014552
"1046275"	415.253176	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2H"	2.014552
"214176"	553.335142666667	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+3H"	3.021828
"657019"	829.499076	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+3H"	3.021828
"1177821"	277.171209333333	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+3H"	3.021828
"439267"	1675.017423	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+NH4"	18.033823
"801254"	2503.509223	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+NH4"	18.033823
"1692462"	846.525623	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+NH4"	18.033823
"340741"	838.0123495	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+H+NH4"	19.041099
"732068"	1252.2582495	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+H+NH4"	19.041099
"1491358"	423.7664495	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H+NH4"	19.041099
"404571"	1679.972818	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+Na"	22.989218
"765565"	2508.464618	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+Na"	22.989218
"1612569"	851.481018	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Na"	22.989218
"321512"	840.490047	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+H+Na"	23.996494
"717214"	1254.735947	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+H+Na"	23.996494
"1471033"	426.244147	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H+Na"	23.996494
"1064277"	284.498523333333	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2H+Na"	25.00377
"1269238"	861.525286	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+CH3OH+H"	33.033486
"388904"	1695.946758	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+K"	38.963158
"753547"	2524.438558	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+K"	38.963158
"1553048"	867.454958	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+K"	38.963158
"304754"	848.477017	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+H+K"	39.970434
"698271"	1262.722917	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+H+K"	39.970434
"1446256"	434.231117	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H+K"	39.970434
"239598"	1699.017426	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+ACN+H"	42.033826
"1211577"	870.525626	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+ACN+H"	42.033826
"1198375"	435.766451	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+ACN+2H"	43.041102
"191245"	1701.95476	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+2Na-H"	44.97116
"635192"	2530.44656	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+2Na-H"	44.97116
"1136882"	873.46296	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2Na-H"	44.97116
"177258"	851.481018	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+2Na"	45.978436
"619371"	1265.726918	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+2Na"	45.978436
"1122145"	437.235118	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2Na"	45.978436
"1403482"	291.825837333333	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H+2Na"	46.985712
"1432317"	875.504546	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H+HCOOH"	47.012746
"230401"	856.51404	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+3H2O+2H"	56.04448
"1517369"	889.55659	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+IsoProp+H"	61.06479
"415958"	859.467988	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+Na+K"	61.952376
"771121"	1273.713888	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+Na+K"	61.952376
"1666725"	445.222088	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Na+K"	61.952376
"255436"	1720.999368	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+ACN+Na"	64.015768
"1228143"	892.507568	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+ACN+Na"	64.015768
"1719218"	892.531093	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+NH4+HCOOH"	64.039293
"1182385"	299.153151333333	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+3Na"	68.967654
"1650211"	897.486488	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Na+HCOOH"	68.994688
"158047"	1733.90264	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+2K-H"	76.91904
"600888"	2562.39444	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+2K-H"	76.91904
"1085396"	905.41084	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2K-H"	76.91904
"150977"	867.454958	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"2M+2K"	77.926316
"592724"	1281.700858	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"3M+2K"	77.926316
"1082343"	453.209058	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2K"	77.926316
"1112634"	907.425392	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2K+H"	78.933592
"1349873"	907.513007	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+DMSO+H"	79.021207
"1017551"	911.552176	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2ACN+H"	83.060376
"1534582"	912.545808	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+IsoProp+Na+H"	84.054008
"1001031"	456.279726	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+2ACN+2H"	84.067652
"1598815"	913.460428	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+K+HCOOH"	84.968628
"1425568"	943.491938	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+H+CF3COOH"	115.000138
"1160233"	476.793001	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+3ACN+2H"	125.094202
"1710875"	960.518485	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+NH4+CF3COOH"	132.026685
"1647986"	965.47388	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+Na+CF3COOH"	136.98208
"1582175"	981.44782	"C13885"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3-phosphate"	"C40H78O13P2"	"828.4918"	"M+K+CF3COOH"	152.95602
"809267"	836.5415	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M"	0
"976601"	817.52311	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-H2O-H"	-19.01839
"63749"	556.687057333333	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M-3H"	-3.021828
"502937"	835.534224	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M-3H"	-3.021828
"880496"	277.839890666667	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-3H"	-3.021828
"891"	835.534224	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M-2H"	-2.014552
"440451"	1253.804974	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M-2H"	-2.014552
"817646"	417.263474	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-2H"	-2.014552
"79215"	1672.075724	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M-H"	-1.007276
"518778"	2508.617224	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M-H"	-1.007276
"896463"	835.534224	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-H"	-1.007276
"48044"	1689.102271	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M-2H+NH4"	16.019271
"487970"	2525.643771	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M-2H+NH4"	16.019271
"864678"	852.560771	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-2H+NH4"	16.019271
"34773"	1694.057666	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M-2H+Na"	20.974666
"475427"	2530.599166	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M-2H+Na"	20.974666
"851041"	857.516166	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-2H+Na"	20.974666
"1619113"	857.516166	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Na-2H"	20.974666
"95633"	853.522563	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M-H+Cl"	33.962126
"535560"	1271.793313	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M-H+Cl"	33.962126
"927978"	435.251813	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-H+Cl"	33.962126
"269089"	1708.052402	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+Cl"	34.969402
"660782"	2544.593902	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+Cl"	34.969402
"1274888"	871.510902	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Cl"	34.969402
"17937"	1710.031606	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M-2H+K"	36.948606
"461147"	2546.573106	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M-2H+K"	36.948606
"841138"	873.490106	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-2H+K"	36.948606
"1565724"	873.490106	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+K-2H"	36.948606
"952514"	881.539694	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-H+HCOOH"	44.998194
"363440"	1718.081201	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+HCOOH-H"	44.998201
"351332"	1732.096851	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+Hac-H"	59.013851
"1493843"	895.555351	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Hac-H"	59.013851
"960412"	903.521651	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-H+NaCOOH"	66.980151
"111020"	871.510902	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+2Cl"	69.938804
"558359"	1289.781652	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+2Cl"	69.938804
"1024241"	453.240152	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2Cl"	69.938804
"1247829"	915.460385	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Br"	78.918885
"1313556"	917.516372	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Cl+HCOOH"	80.974872
"1321207"	939.498329	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Cl+NaCOOH"	102.956829
"914465"	949.527086	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M-H+CF3COOH"	112.985586
"1289710"	985.503764	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Cl+CF3COOH"	148.962264
"1373714"	801.528824	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H-2H2O"	-35.012676
"1390116"	819.5388	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H-H2O"	-17.0027
"287615"	1674.090276	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+H"	1.007276
"678942"	2510.631776	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+H"	1.007276
"1352373"	837.548776	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H"	1.007276
"131464"	837.548776	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+2H"	2.014552
"568835"	1255.819526	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+2H"	2.014552
"1046385"	419.278026	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2H"	2.014552
"214286"	558.701609333333	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+3H"	3.021828
"654942"	837.548776	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+3H"	3.021828
"1176957"	279.854442666667	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+3H"	3.021828
"436339"	1691.116823	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+NH4"	18.033823
"800252"	2527.658323	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+NH4"	18.033823
"1692572"	854.575323	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+NH4"	18.033823
"340851"	846.0620495	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+H+NH4"	19.041099
"737283"	1264.3327995	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+H+NH4"	19.041099
"1491347"	427.7912995	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H+NH4"	19.041099
"404681"	1696.072218	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+Na"	22.989218
"760210"	2532.613718	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+Na"	22.989218
"1613774"	859.530718	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Na"	22.989218
"327090"	848.539747	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+H+Na"	23.996494
"713315"	1266.810497	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+H+Na"	23.996494
"1472238"	430.268997	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H+Na"	23.996494
"1058921"	287.181756666667	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2H+Na"	25.00377
"1264973"	869.574986	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+CH3OH+H"	33.033486
"385735"	1712.046158	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+K"	38.963158
"751102"	2548.587658	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+K"	38.963158
"1545501"	875.504658	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+K"	38.963158
"302677"	856.526717	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+H+K"	39.970434
"698381"	1274.797467	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+H+K"	39.970434
"1447825"	438.255967	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H+K"	39.970434
"238614"	1715.116826	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+ACN+H"	42.033826
"1210351"	878.575326	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+ACN+H"	42.033826
"1196299"	439.791301	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+ACN+2H"	43.041102
"189287"	1718.05416	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+2Na-H"	44.97116
"634205"	2554.59566	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+2Na-H"	44.97116
"1136628"	881.51266	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2Na-H"	44.97116
"177369"	859.530718	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+2Na"	45.978436
"618387"	1277.801468	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+2Na"	45.978436
"1124078"	441.259968	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2Na"	45.978436
"1402863"	294.509070666667	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H+2Na"	46.985712
"1431210"	883.554246	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H+HCOOH"	47.012746
"227228"	864.56374	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+3H2O+2H"	56.04448
"1516386"	897.60629	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+IsoProp+H"	61.06479
"412788"	867.517688	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+Na+K"	61.952376
"770867"	1285.788438	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+Na+K"	61.952376
"1667927"	449.246938	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Na+K"	61.952376
"257733"	1737.098768	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+ACN+Na"	64.015768
"1229346"	900.557268	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+ACN+Na"	64.015768
"1721516"	900.580793	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+NH4+HCOOH"	64.039293
"1183589"	301.836384666667	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+3Na"	68.967654
"1651293"	905.536188	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Na+HCOOH"	68.994688
"163624"	1750.00204	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+2K-H"	76.91904
"604278"	2586.54354	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+2K-H"	76.91904
"1086601"	913.46054	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2K-H"	76.91904
"143789"	875.504658	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"2M+2K"	77.926316
"587365"	1293.775408	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"3M+2K"	77.926316
"1081360"	457.233908	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2K"	77.926316
"1107277"	915.475092	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2K+H"	78.933592
"1349010"	915.562707	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+DMSO+H"	79.021207
"1019364"	919.601876	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2ACN+H"	83.060376
"1537977"	920.595508	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+IsoProp+Na+H"	84.054008
"1003938"	460.304576	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+2ACN+2H"	84.067652
"1600021"	921.510128	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+K+HCOOH"	84.968628
"1425681"	951.541638	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+H+CF3COOH"	115.000138
"1159249"	480.817851	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+3ACN+2H"	125.094202
"1709895"	968.568185	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+NH4+CF3COOH"	132.026685
"1646637"	973.52358	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+Na+CF3COOH"	136.98208
"1579006"	989.49752	"C13888"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol"	"C43H81O13P"	"836.5415"	"M+K+CF3COOH"	152.95602
"812657"	674.4887	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M"	0
"982908"	655.47031	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-H2O-H"	-19.01839
"68963"	448.651857333333	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M-3H"	-3.021828
"507430"	673.481424	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M-3H"	-3.021828
"880727"	223.822290666667	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-3H"	-3.021828
"883"	673.481424	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M-2H"	-2.014552
"442272"	1010.725774	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M-2H"	-2.014552
"818610"	336.237074	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-2H"	-2.014552
"79211"	1347.970124	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M-H"	-1.007276
"520111"	2022.458824	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M-H"	-1.007276
"898888"	673.481424	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-H"	-1.007276
"48033"	1364.996671	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M-2H+NH4"	16.019271
"487193"	2039.485371	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M-2H+NH4"	16.019271
"864660"	690.507971	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-2H+NH4"	16.019271
"31955"	1369.952066	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M-2H+Na"	20.974666
"471838"	2044.440766	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M-2H+Na"	20.974666
"848835"	695.463366	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-2H+Na"	20.974666
"1618851"	695.463366	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Na-2H"	20.974666
"95755"	691.469763	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M-H+Cl"	33.962126
"535803"	1028.714113	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M-H+Cl"	33.962126
"929925"	354.225413	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-H+Cl"	33.962126
"270669"	1383.946802	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+Cl"	34.969402
"660409"	2058.435502	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+Cl"	34.969402
"1274763"	709.458102	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Cl"	34.969402
"15808"	1385.926006	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M-2H+K"	36.948606
"470377"	2060.414706	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M-2H+K"	36.948606
"845261"	711.437306	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-2H+K"	36.948606
"1562554"	711.437306	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+K-2H"	36.948606
"953717"	719.486894	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-H+HCOOH"	44.998194
"366466"	1393.975601	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+HCOOH-H"	44.998201
"354722"	1407.991251	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+Hac-H"	59.013851
"1495902"	733.502551	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Hac-H"	59.013851
"965629"	741.468851	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-H+NaCOOH"	66.980151
"111257"	709.458102	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+2Cl"	69.938804
"560657"	1046.702452	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+2Cl"	69.938804
"1024717"	372.213752	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2Cl"	69.938804
"1252313"	753.407585	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Br"	78.918885
"1309656"	755.463572	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Cl+HCOOH"	80.974872
"1321322"	777.445529	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Cl+NaCOOH"	102.956829
"912140"	787.474286	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M-H+CF3COOH"	112.985586
"1290913"	823.450964	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Cl+CF3COOH"	148.962264
"1373824"	639.476024	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H-2H2O"	-35.012676
"1390226"	657.486	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H-H2O"	-17.0027
"287725"	1349.984676	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+H"	1.007276
"683426"	2024.473376	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+H"	1.007276
"1355400"	675.495976	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H"	1.007276
"131574"	675.495976	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+2H"	2.014552
"568945"	1012.740326	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+2H"	2.014552
"1046495"	338.251626	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2H"	2.014552
"214396"	450.666409333333	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+3H"	3.021828
"655052"	675.495976	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+3H"	3.021828
"1170990"	225.836842666667	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+3H"	3.021828
"432075"	1367.011223	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+NH4"	18.033823
"798903"	2041.499923	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+NH4"	18.033823
"1694506"	692.522523	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+NH4"	18.033823
"340961"	684.0092495	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+H+NH4"	19.041099
"736665"	1021.2535995	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+H+NH4"	19.041099
"1486111"	346.7648995	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H+NH4"	19.041099
"403697"	1371.966618	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+Na"	22.989218
"760318"	2046.455318	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+Na"	22.989218
"1607323"	697.477918	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Na"	22.989218
"323920"	686.486947	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+H+Na"	23.996494
"712331"	1023.731297	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+H+Na"	23.996494
"1467974"	349.242597	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H+Na"	23.996494
"1059032"	233.164156666667	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2H+Na"	25.00377
"1265084"	707.522186	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+CH3OH+H"	33.033486
"388033"	1387.940558	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+K"	38.963158
"749027"	2062.429258	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+K"	38.963158
"1549987"	713.451858	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+K"	38.963158
"309350"	694.473917	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+H+K"	39.970434
"700678"	1031.718267	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+H+K"	39.970434
"1451217"	357.229567	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H+K"	39.970434
"240912"	1391.011226	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+ACN+H"	42.033826
"1213622"	716.522526	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+ACN+H"	42.033826
"1196774"	358.764901	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+ACN+2H"	43.041102
"190010"	1393.94856	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+2Na-H"	44.97116
"635409"	2068.43726	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+2Na-H"	44.97116
"1136739"	719.45986	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2Na-H"	44.97116
"180031"	697.477918	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+2Na"	45.978436
"618497"	1034.722268	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+2Na"	45.978436
"1117869"	360.233568	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2Na"	45.978436
"1402244"	240.491470666667	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H+2Na"	46.985712
"1434359"	721.501446	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H+HCOOH"	47.012746
"228431"	702.51094	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+3H2O+2H"	56.04448
"1517224"	735.55349	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+IsoProp+H"	61.06479
"416178"	705.464888	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+Na+K"	61.952376
"773893"	1042.709238	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+Na+K"	61.952376
"1669129"	368.220538	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Na+K"	61.952376
"262217"	1412.993168	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+ACN+Na"	64.015768
"1227634"	738.504468	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+ACN+Na"	64.015768
"1719438"	738.527993	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+NH4+HCOOH"	64.039293
"1183699"	247.818784666667	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+3Na"	68.967654
"1654684"	743.483388	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Na+HCOOH"	68.994688
"160454"	1425.89644	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+2K-H"	76.91904
"601108"	2100.38514	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+2K-H"	76.91904
"1086709"	751.40774	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2K-H"	76.91904
"143899"	713.451858	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"2M+2K"	77.926316
"589661"	1050.696208	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"3M+2K"	77.926316
"1078554"	376.207508	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2K"	77.926316
"1111762"	753.422292	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2K+H"	78.933592
"1347784"	753.509907	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+DMSO+H"	79.021207
"1015584"	757.549076	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2ACN+H"	83.060376
"1539425"	758.542708	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+IsoProp+Na+H"	84.054008
"1001251"	379.278176	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+2ACN+2H"	84.067652
"1601711"	759.457328	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+K+HCOOH"	84.968628
"1426886"	789.488838	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+H+CF3COOH"	115.000138
"1162280"	399.791451	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+3ACN+2H"	125.094202
"1711464"	806.515385	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+NH4+CF3COOH"	132.026685
"1647841"	811.47078	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+Na+CF3COOH"	136.98208
"1579116"	827.44472	"C13889"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate"	"C37H71O8P"	"674.4887"	"M+K+CF3COOH"	152.95602
"812766"	754.455	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M"	0
"976458"	735.43661	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-H2O-H"	-19.01839
"65426"	501.962724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M-3H"	-3.021828
"505108"	753.447724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M-3H"	-3.021828
"880960"	250.477724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-3H"	-3.021828
"634"	753.447724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M-2H"	-2.014552
"440228"	1130.675224	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M-2H"	-2.014552
"817990"	376.220224	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-2H"	-2.014552
"81269"	1507.902724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M-H"	-1.007276
"518569"	2262.357724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M-H"	-1.007276
"898633"	753.447724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-H"	-1.007276
"47533"	1524.929271	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M-2H+NH4"	16.019271
"487257"	2279.384271	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M-2H+NH4"	16.019271
"865025"	770.474271	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-2H+NH4"	16.019271
"31696"	1529.884666	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M-2H+Na"	20.974666
"472730"	2284.339666	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M-2H+Na"	20.974666
"853450"	775.429666	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-2H+Na"	20.974666
"1619049"	775.429666	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Na-2H"	20.974666
"95624"	771.436063	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M-H+Cl"	33.962126
"535792"	1148.663563	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M-H+Cl"	33.962126
"927194"	394.208563	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-H+Cl"	33.962126
"269318"	1543.879402	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+Cl"	34.969402
"660022"	2298.334402	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+Cl"	34.969402
"1275237"	789.424402	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Cl"	34.969402
"15840"	1545.858606	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M-2H+K"	36.948606
"470849"	2300.313606	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M-2H+K"	36.948606
"845733"	791.403606	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-2H+K"	36.948606
"1565944"	791.403606	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+K-2H"	36.948606
"954922"	799.453194	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-H+HCOOH"	44.998194
"370951"	1553.908201	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+HCOOH-H"	44.998201
"358115"	1567.923851	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+Hac-H"	59.013851
"1493217"	813.468851	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Hac-H"	59.013851
"967927"	821.435151	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-H+NaCOOH"	66.980151
"111240"	789.424402	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+2Cl"	69.938804
"556395"	1166.651902	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+2Cl"	69.938804
"1024099"	412.196902	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2Cl"	69.938804
"1245862"	833.373885	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Br"	78.918885
"1309037"	835.429872	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Cl+HCOOH"	80.974872
"1324714"	857.411829	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Cl+NaCOOH"	102.956829
"912010"	867.440586	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M-H+CF3COOH"	112.985586
"1289932"	903.417264	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Cl+CF3COOH"	148.962264
"1368466"	719.442324	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H-2H2O"	-35.012676
"1383896"	737.4523	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H-H2O"	-17.0027
"287835"	1509.917276	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+H"	1.007276
"679162"	2264.372276	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+H"	1.007276
"1353688"	755.462276	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H"	1.007276
"133871"	755.462276	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+2H"	2.014552
"570148"	1132.689776	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+2H"	2.014552
"1043324"	378.234776	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2H"	2.014552
"213410"	503.977276	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+3H"	3.021828
"656256"	755.462276	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+3H"	3.021828
"1177297"	252.492276	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+3H"	3.021828
"436560"	1526.943823	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+NH4"	18.033823
"798284"	2281.398823	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+NH4"	18.033823
"1693886"	772.488823	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+NH4"	18.033823
"341072"	763.9755495	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+H+NH4"	19.041099
"734587"	1141.2030495	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+H+NH4"	19.041099
"1484035"	386.7480495	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H+NH4"	19.041099
"395060"	1531.899218	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+Na"	22.989218
"758241"	2286.354218	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+Na"	22.989218
"1606341"	777.444218	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Na"	22.989218
"317469"	766.453247	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+H+Na"	23.996494
"712441"	1143.680747	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+H+Na"	23.996494
"1466624"	389.225747	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H+Na"	23.996494
"1057318"	259.81959	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2H+Na"	25.00377
"1266289"	787.488486	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+CH3OH+H"	33.033486
"389237"	1547.873158	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+K"	38.963158
"748044"	2302.328158	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+K"	38.963158
"1546817"	793.418158	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+K"	38.963158
"310552"	774.440217	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+H+K"	39.970434
"695320"	1151.667717	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+H+K"	39.970434
"1448048"	397.212717	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H+K"	39.970434
"238836"	1550.943826	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+ACN+H"	42.033826
"1211665"	796.488826	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+ACN+H"	42.033826
"1195789"	398.748051	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+ACN+2H"	43.041102
"190847"	1553.88116	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+2Na-H"	44.97116
"631509"	2308.33616	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+2Na-H"	44.97116
"1136849"	799.42616	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2Na-H"	44.97116
"180141"	777.444218	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+2Na"	45.978436
"618607"	1154.671718	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+2Na"	45.978436
"1119192"	400.216718	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2Na"	45.978436
"1405635"	267.146904	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H+2Na"	46.985712
"1433011"	801.467746	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H+HCOOH"	47.012746
"228541"	782.47724	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+3H2O+2H"	56.04448
"1517698"	815.51979	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+IsoProp+H"	61.06479
"413008"	785.431188	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+Na+K"	61.952376
"772543"	1162.658688	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+Na+K"	61.952376
"1668512"	408.203688	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Na+K"	61.952376
"260140"	1572.925768	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+ACN+Na"	64.015768
"1230660"	818.470768	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+ACN+Na"	64.015768
"1720642"	818.494293	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+NH4+HCOOH"	64.039293
"1183809"	274.474218	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+3Na"	68.967654
"1654065"	823.449688	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Na+HCOOH"	68.994688
"161657"	1585.82904	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+2K-H"	76.91904
"604498"	2340.28404	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+2K-H"	76.91904
"1087916"	831.37404	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2K-H"	76.91904
"143766"	793.418158	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"2M+2K"	77.926316
"588678"	1170.645658	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"3M+2K"	77.926316
"1079758"	416.190658	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2K"	77.926316
"1113696"	833.388592	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2K+H"	78.933592
"1348137"	833.476207	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+DMSO+H"	79.021207
"1015694"	837.515376	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2ACN+H"	83.060376
"1539500"	838.509008	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+IsoProp+Na+H"	84.054008
"999174"	419.261326	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+2ACN+2H"	84.067652
"1601334"	839.423628	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+K+HCOOH"	84.968628
"1423716"	869.455138	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+H+CF3COOH"	115.000138
"1158378"	439.774601	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+3ACN+2H"	125.094202
"1712302"	886.481685	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+NH4+CF3COOH"	132.026685
"1648680"	891.43708	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+Na+CF3COOH"	136.98208
"1579226"	907.41102	"C13890"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate"	"C37H72O11P2"	"754.455"	"M+K+CF3COOH"	152.95602
"813968"	841.3891	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M"	0
"976568"	822.37071	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-H2O-H"	-19.01839
"62983"	559.918790666667	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M-3H"	-3.021828
"504370"	840.381824	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M-3H"	-3.021828
"880035"	279.455757333333	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-3H"	-3.021828
"33"	840.381824	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M-2H"	-2.014552
"439969"	1261.076374	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M-2H"	-2.014552
"817083"	419.687274	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-2H"	-2.014552
"78657"	1681.770924	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M-H"	-1.007276
"518664"	2523.160024	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M-H"	-1.007276
"895735"	840.381824	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-H"	-1.007276
"47886"	1698.797471	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M-2H+NH4"	16.019271
"488307"	2540.186571	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M-2H+NH4"	16.019271
"864263"	857.408371	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-2H+NH4"	16.019271
"31489"	1703.752866	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M-2H+Na"	20.974666
"471446"	2545.141966	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M-2H+Na"	20.974666
"848690"	862.363766	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-2H+Na"	20.974666
"1618490"	862.363766	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Na-2H"	20.974666
"95613"	858.370163	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M-H+Cl"	33.962126
"535171"	1279.064713	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M-H+Cl"	33.962126
"927625"	437.675613	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-H+Cl"	33.962126
"268456"	1717.747602	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+Cl"	34.969402
"661849"	2559.136702	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+Cl"	34.969402
"1274253"	876.358502	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Cl"	34.969402
"15743"	1719.726806	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M-2H+K"	36.948606
"468041"	2561.115906	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M-2H+K"	36.948606
"844750"	878.337706	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-2H+K"	36.948606
"1566054"	878.337706	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+K-2H"	36.948606
"957218"	886.387294	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-H+HCOOH"	44.998194
"364501"	1727.776401	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+HCOOH-H"	44.998201
"356038"	1741.792051	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+Hac-H"	59.013851
"1492777"	900.402951	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Hac-H"	59.013851
"968037"	908.369251	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-H+NaCOOH"	66.980151
"111108"	876.358502	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+2Cl"	69.938804
"556505"	1297.053052	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+2Cl"	69.938804
"1024209"	455.663952	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2Cl"	69.938804
"1245241"	920.307985	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Br"	78.918885
"1309511"	922.363972	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Cl+HCOOH"	80.974872
"1324824"	944.345929	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Cl+NaCOOH"	102.956829
"912602"	954.374686	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M-H+CF3COOH"	112.985586
"1290406"	990.351364	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Cl+CF3COOH"	148.962264
"1367726"	806.376424	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H-2H2O"	-35.012676
"1382829"	824.3864	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H-H2O"	-17.0027
"284665"	1683.785476	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+H"	1.007276
"679272"	2525.174576	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+H"	1.007276
"1355621"	842.396376	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H"	1.007276
"132888"	842.396376	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+2H"	2.014552
"568435"	1263.090926	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+2H"	2.014552
"1043434"	421.701826	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2H"	2.014552
"210240"	561.933342666667	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+3H"	3.021828
"654179"	842.396376	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+3H"	3.021828
"1175585"	281.470309333333	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+3H"	3.021828
"435577"	1700.812023	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+NH4"	18.033823
"798394"	2542.201123	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+NH4"	18.033823
"1692904"	859.422923	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+NH4"	18.033823
"334621"	850.9096495	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+H+NH4"	19.041099
"732511"	1271.6041995	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+H+NH4"	19.041099
"1480864"	430.2150995	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H+NH4"	19.041099
"394076"	1705.767418	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+Na"	22.989218
"758352"	2547.156518	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+Na"	22.989218
"1604264"	864.378318	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Na"	22.989218
"315756"	853.387347	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+H+Na"	23.996494
"710365"	1274.081897	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+H+Na"	23.996494
"1462362"	432.692797	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H+Na"	23.996494
"1054877"	288.797623333333	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2H+Na"	25.00377
"1263119"	874.422586	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+CH3OH+H"	33.033486
"381694"	1721.741358	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+K"	38.963158
"743783"	2563.130458	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+K"	38.963158
"1549115"	880.352258	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+K"	38.963158
"308477"	861.374317	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+H+K"	39.970434
"694337"	1282.068867	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+H+K"	39.970434
"1447066"	440.679767	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H+K"	39.970434
"236396"	1724.812026	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+ACN+H"	42.033826
"1210436"	883.422926	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+ACN+H"	42.033826
"1196633"	442.215101	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+ACN+2H"	43.041102
"189866"	1727.74936	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+2Na-H"	44.97116
"630526"	2569.13846	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+2Na-H"	44.97116
"1136959"	886.36026	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2Na-H"	44.97116
"181344"	864.378318	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+2Na"	45.978436
"619810"	1285.072868	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+2Na"	45.978436
"1118211"	443.683768	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2Na"	45.978436
"1400639"	296.124937333333	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H+2Na"	46.985712
"1435673"	888.401846	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H+HCOOH"	47.012746
"228651"	869.41134	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+3H2O+2H"	56.04448
"1517807"	902.45389	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+IsoProp+H"	61.06479
"413118"	872.365288	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+Na+K"	61.952376
"772287"	1293.059838	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+Na+K"	61.952376
"1669350"	451.670738	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Na+K"	61.952376
"261343"	1746.793968	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+ACN+Na"	64.015768
"1230770"	905.404868	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+ACN+Na"	64.015768
"1720751"	905.428393	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+NH4+HCOOH"	64.039293
"1183919"	303.452251333333	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+3Na"	68.967654
"1653811"	910.383788	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Na+HCOOH"	68.994688
"157874"	1759.69724	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+2K-H"	76.91904
"598776"	2601.08634	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+2K-H"	76.91904
"1086567"	918.30814	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2K-H"	76.91904
"143755"	880.352258	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"2M+2K"	77.926316
"589881"	1301.046808	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"3M+2K"	77.926316
"1082906"	459.657708	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2K"	77.926316
"1110889"	920.322692	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2K+H"	78.933592
"1348368"	920.410307	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+DMSO+H"	79.021207
"1019084"	924.449476	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2ACN+H"	83.060376
"1539772"	925.443108	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+IsoProp+Na+H"	84.054008
"1001471"	462.728376	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+2ACN+2H"	84.067652
"1601928"	926.357728	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+K+HCOOH"	84.968628
"1423826"	956.389238	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+H+CF3COOH"	115.000138
"1161768"	483.241651	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+3ACN+2H"	125.094202
"1712413"	973.415785	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+NH4+CF3COOH"	132.026685
"1648790"	978.37118	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+Na+CF3COOH"	136.98208
"1579336"	994.34512	"C13891"	"12-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate"	"C36H65N3O15P2"	"841.3891"	"M+K+CF3COOH"	152.95602
"816264"	979.5299	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M"	0
"983237"	960.51151	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-H2O-H"	-19.01839
"64554"	652.012657333333	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M-3H"	-3.021828
"512134"	978.522624	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M-3H"	-3.021828
"883373"	325.502690666667	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-3H"	-3.021828
"1947"	978.522624	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M-2H"	-2.014552
"440069"	1468.287574	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M-2H"	-2.014552
"817723"	488.757674	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-2H"	-2.014552
"79415"	1958.052524	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M-H"	-1.007276
"518771"	2937.582424	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M-H"	-1.007276
"896285"	978.522624	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-H"	-1.007276
"47755"	1975.079071	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M-2H+NH4"	16.019271
"488781"	2954.608971	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M-2H+NH4"	16.019271
"864466"	995.549171	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-2H+NH4"	16.019271
"32034"	1980.034466	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M-2H+Na"	20.974666
"472203"	2959.564366	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M-2H+Na"	20.974666
"848794"	1000.504566	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-2H+Na"	20.974666
"1618659"	1000.504566	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Na-2H"	20.974666
"97178"	996.510963	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M-H+Cl"	33.962126
"537832"	1486.275913	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M-H+Cl"	33.962126
"927328"	506.746013	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-H+Cl"	33.962126
"267957"	1994.029202	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+Cl"	34.969402
"660370"	2973.559102	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+Cl"	34.969402
"1276185"	1014.499302	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Cl"	34.969402
"16056"	1996.008406	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M-2H+K"	36.948606
"460496"	2975.538306	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M-2H+K"	36.948606
"838299"	1016.478506	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-2H+K"	36.948606
"1562884"	1016.478506	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+K-2H"	36.948606
"955142"	1024.528094	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-H+HCOOH"	44.998194
"373358"	2004.058001	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+HCOOH-H"	44.998201
"359428"	2018.073651	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+Hac-H"	59.013851
"1499513"	1038.543751	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Hac-H"	59.013851
"972156"	1046.510051	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-H+NaCOOH"	66.980151
"112678"	1014.499302	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+2Cl"	69.938804
"556615"	1504.264252	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+2Cl"	69.938804
"1024682"	524.734352	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2Cl"	69.938804
"1244987"	1058.448785	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Br"	78.918885
"1310717"	1060.504772	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Cl+HCOOH"	80.974872
"1325298"	1082.486729	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Cl+NaCOOH"	102.956829
"912343"	1092.515486	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M-H+CF3COOH"	112.985586
"1291245"	1128.492164	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Cl+CF3COOH"	148.962264
"1368322"	944.517224	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H-2H2O"	-35.012676
"1390557"	962.5272	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H-H2O"	-17.0027
"291337"	1960.067076	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+H"	1.007276
"678290"	2939.596976	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+H"	1.007276
"1356823"	980.537176	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H"	1.007276
"129718"	980.537176	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+2H"	2.014552
"569277"	1470.302126	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+2H"	2.014552
"1041355"	490.772226	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2H"	2.014552
"210350"	654.027209333333	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+3H"	3.021828
"656474"	980.537176	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+3H"	3.021828
"1175333"	327.517242666667	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+3H"	3.021828
"438972"	1977.093623	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+NH4"	18.033823
"800573"	2956.623523	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+NH4"	18.033823
"1695809"	997.563723	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+NH4"	18.033823
"339105"	989.0504495	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+H+NH4"	19.041099
"731527"	1478.8153995	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+H+NH4"	19.041099
"1482067"	499.2854995	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H+NH4"	19.041099
"396373"	1982.049018	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+Na"	22.989218
"759556"	2961.578918	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+Na"	22.989218
"1604010"	1002.519118	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Na"	22.989218
"316596"	991.528147	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+H+Na"	23.996494
"709377"	1481.293097	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+H+Na"	23.996494
"1462836"	501.763197	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H+Na"	23.996494
"1054260"	334.844556666667	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2H+Na"	25.00377
"1264322"	1012.563386	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+CH3OH+H"	33.033486
"386177"	1998.022958	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+K"	38.963158
"748266"	2977.552858	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+K"	38.963158
"1544851"	1018.493058	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+K"	38.963158
"308587"	999.515117	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+H+K"	39.970434
"695541"	1489.280067	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+H+K"	39.970434
"1451550"	509.750167	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H+K"	39.970434
"237964"	2001.093626	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+ACN+H"	42.033826
"1217234"	1021.563726	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+ACN+H"	42.033826
"1200023"	511.285501	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+ACN+2H"	43.041102
"189977"	2004.03096	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+2Na-H"	44.97116
"630636"	2983.56086	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+2Na-H"	44.97116
"1135976"	1024.50106	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2Na-H"	44.97116
"181454"	1002.519118	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+2Na"	45.978436
"618827"	1492.284068	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+2Na"	45.978436
"1120144"	512.754168	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2Na"	45.978436
"1401480"	342.171870666667	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H+2Na"	46.985712
"1432865"	1026.542646	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H+HCOOH"	47.012746
"228761"	1007.55214	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+3H2O+2H"	56.04448
"1519010"	1040.59469	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+IsoProp+H"	61.06479
"415414"	1010.506088	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+Na+K"	61.952376
"773128"	1500.271038	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+Na+K"	61.952376
"1670552"	520.741138	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Na+K"	61.952376
"258173"	2023.075568	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+ACN+Na"	64.015768
"1229420"	1043.545668	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+ACN+Na"	64.015768
"1718675"	1043.569193	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+NH4+HCOOH"	64.039293
"1184029"	349.499184666667	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+3Na"	68.967654
"1653921"	1048.524588	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Na+HCOOH"	68.994688
"158592"	2035.97884	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+2K-H"	76.91904
"599124"	3015.50874	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+2K-H"	76.91904
"1087039"	1056.44894	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2K-H"	76.91904
"142035"	1018.493058	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"2M+2K"	77.926316
"585619"	1508.258008	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"3M+2K"	77.926316
"1084170"	528.728108	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2K"	77.926316
"1115589"	1058.463492	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2K+H"	78.933592
"1350425"	1058.551107	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+DMSO+H"	79.021207
"1020777"	1062.590276	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2ACN+H"	83.060376
"1539721"	1063.583908	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+IsoProp+Na+H"	84.054008
"1005472"	531.798776	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+2ACN+2H"	84.067652
"1601674"	1064.498528	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+K+HCOOH"	84.968628
"1421749"	1094.530038	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+H+CF3COOH"	115.000138
"1161879"	552.312051	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+3ACN+2H"	125.094202
"1711795"	1111.556585	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+NH4+CF3COOH"	132.026685
"1648900"	1116.51198	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+Na+CF3COOH"	136.98208
"1579446"	1132.48592	"C13892"	"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5-diphosphate"	"C46H83N3O15P2"	"979.5299"	"M+K+CF3COOH"	152.95602
"809813"	746.6064	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M"	0
"982254"	727.58801	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-H2O-H"	-19.01839
"64662"	496.730324	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M-3H"	-3.021828
"511150"	745.599124	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M-3H"	-3.021828
"883483"	247.861524	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-3H"	-3.021828
"1205"	745.599124	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M-2H"	-2.014552
"443802"	1118.902324	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M-2H"	-2.014552
"818563"	372.295924	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-2H"	-2.014552
"79529"	1492.205524	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M-H"	-1.007276
"520186"	2238.811924	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M-H"	-1.007276
"896403"	745.599124	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-H"	-1.007276
"48713"	1509.232071	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M-2H+NH4"	16.019271
"487788"	2255.838471	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M-2H+NH4"	16.019271
"865225"	762.625671	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-2H+NH4"	16.019271
"31585"	1514.187466	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M-2H+Na"	20.974666
"472929"	2260.793866	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M-2H+Na"	20.974666
"849637"	767.581066	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-2H+Na"	20.974666
"1619538"	767.581066	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Na-2H"	20.974666
"94768"	763.587463	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M-H+Cl"	33.962126
"535143"	1136.890663	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M-H+Cl"	33.962126
"927682"	390.284263	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-H+Cl"	33.962126
"268675"	1528.182202	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+Cl"	34.969402
"660728"	2274.788602	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+Cl"	34.969402
"1274105"	781.575802	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Cl"	34.969402
"17511"	1530.161406	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M-2H+K"	36.948606
"459875"	2276.767806	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M-2H+K"	36.948606
"838409"	783.555006	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-2H+K"	36.948606
"1562994"	783.555006	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+K-2H"	36.948606
"955252"	791.604594	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-H+HCOOH"	44.998194
"375290"	1538.211001	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+HCOOH-H"	44.998201
"357351"	1552.226651	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+Hac-H"	59.013851
"1501809"	805.620251	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Hac-H"	59.013851
"969350"	813.586551	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-H+NaCOOH"	66.980151
"112061"	781.575802	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+2Cl"	69.938804
"562191"	1154.879002	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+2Cl"	69.938804
"1025524"	408.272602	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2Cl"	69.938804
"1245097"	825.525285	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Br"	78.918885
"1309004"	827.581272	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Cl+HCOOH"	80.974872
"1320667"	849.563229	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Cl+NaCOOH"	102.956829
"911729"	859.591986	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M-H+CF3COOH"	112.985586
"1293909"	895.568664	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Cl+CF3COOH"	148.962264
"1369525"	711.593724	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H-2H2O"	-35.012676
"1390667"	729.6037	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H-H2O"	-17.0027
"285979"	1494.220076	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+H"	1.007276
"679493"	2240.826476	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+H"	1.007276
"1361307"	747.613676	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H"	1.007276
"129828"	747.613676	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+2H"	2.014552
"571573"	1120.916876	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+2H"	2.014552
"1046934"	374.310476	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2H"	2.014552
"213742"	498.744876	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+3H"	3.021828
"657313"	747.613676	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+3H"	3.021828
"1175443"	249.876076	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+3H"	3.021828
"435800"	1511.246623	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+NH4"	18.033823
"797887"	2257.853023	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+NH4"	18.033823
"1692030"	764.640223	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+NH4"	18.033823
"339217"	756.1269495	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+H+NH4"	19.041099
"730546"	1129.4301495	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+H+NH4"	19.041099
"1481087"	382.8237495	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H+NH4"	19.041099
"396486"	1516.202018	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+Na"	22.989218
"759665"	2262.808418	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+Na"	22.989218
"1604607"	769.595618	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Na"	22.989218
"318896"	758.604647	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+H+Na"	23.996494
"711314"	1131.907847	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+H+Na"	23.996494
"1464042"	385.301447	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H+Na"	23.996494
"1056193"	257.20339	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2H+Na"	25.00377
"1257988"	779.639886	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+CH3OH+H"	33.033486
"385194"	1532.175958	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+K"	38.963158
"745096"	2278.782358	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+K"	38.963158
"1542774"	785.569558	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+K"	38.963158
"304325"	766.591617	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+H+K"	39.970434
"693467"	1139.894817	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+H+K"	39.970434
"1445828"	393.288417	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H+K"	39.970434
"236982"	1535.246626	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+ACN+H"	42.033826
"1211026"	788.640226	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+ACN+H"	42.033826
"1194664"	394.823751	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+ACN+2H"	43.041102
"188871"	1538.18396	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+2Na-H"	44.97116
"628798"	2284.79036	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+2Na-H"	44.97116
"1140462"	791.57756	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2Na-H"	44.97116
"178286"	769.595618	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+2Na"	45.978436
"620031"	1142.898818	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+2Na"	45.978436
"1122441"	396.292418	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2Na"	45.978436
"1404874"	264.530704	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H+2Na"	46.985712
"1435894"	793.619146	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H+HCOOH"	47.012746
"224502"	774.62864	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+3H2O+2H"	56.04448
"1518029"	807.67119	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+IsoProp+H"	61.06479
"416620"	777.582588	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+Na+K"	61.952376
"775427"	1150.885788	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+Na+K"	61.952376
"1670662"	404.279388	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Na+K"	61.952376
"260470"	1557.228568	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+ACN+Na"	64.015768
"1229896"	810.622168	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+ACN+Na"	64.015768
"1724983"	810.645693	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+NH4+HCOOH"	64.039293
"1189242"	271.858018	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+3Na"	68.967654
"1659498"	815.601088	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Na+HCOOH"	68.994688
"160527"	1570.13184	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+2K-H"	76.91904
"601547"	2316.73824	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+2K-H"	76.91904
"1090432"	823.52544	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2K-H"	76.91904
"142267"	785.569558	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"2M+2K"	77.926316
"585729"	1158.872758	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"3M+2K"	77.926316
"1083735"	412.266358	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2K"	77.926316
"1115002"	825.539992	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2K+H"	78.933592
"1348591"	825.627607	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+DMSO+H"	79.021207
"1019914"	829.666776	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2ACN+H"	83.060376
"1539258"	830.660408	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+IsoProp+Na+H"	84.054008
"998410"	415.337026	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+2ACN+2H"	84.067652
"1600933"	831.575028	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+K+HCOOH"	84.968628
"1428419"	861.606538	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+H+CF3COOH"	115.000138
"1161623"	435.850301	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+3ACN+2H"	125.094202
"1712632"	878.633085	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+NH4+CF3COOH"	132.026685
"1648281"	883.58848	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+Na+CF3COOH"	136.98208
"1579556"	899.56242	"C13894"	"1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C42H85NO7P"	"746.6064"	"M+K+CF3COOH"	152.95602
"809923"	716.5594	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M"	0
"982364"	697.54101	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-H2O-H"	-19.01839
"64407"	476.698990666667	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M-3H"	-3.021828
"511260"	715.552124	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M-3H"	-3.021828
"882500"	237.845857333333	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-3H"	-3.021828
"1071"	715.552124	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M-2H"	-2.014552
"442819"	1073.831824	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M-2H"	-2.014552
"817131"	357.272424	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-2H"	-2.014552
"79314"	1432.111524	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M-H"	-1.007276
"519442"	2148.670924	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M-H"	-1.007276
"896635"	715.552124	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-H"	-1.007276
"47850"	1449.138071	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M-2H+NH4"	16.019271
"491190"	2165.697471	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M-2H+NH4"	16.019271
"867899"	732.578671	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-2H+NH4"	16.019271
"33366"	1454.093466	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M-2H+Na"	20.974666
"471952"	2170.652866	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M-2H+Na"	20.974666
"849512"	737.534066	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-2H+Na"	20.974666
"1619202"	737.534066	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Na-2H"	20.974666
"94723"	733.540463	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M-H+Cl"	33.962126
"535496"	1091.820163	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M-H+Cl"	33.962126
"931567"	375.260763	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-H+Cl"	33.962126
"270488"	1468.088202	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+Cl"	34.969402
"661814"	2184.647602	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+Cl"	34.969402
"1274582"	751.528802	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Cl"	34.969402
"16771"	1470.067406	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M-2H+K"	36.948606
"463998"	2186.626806	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M-2H+K"	36.948606
"838519"	753.508006	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-2H+K"	36.948606
"1568575"	753.508006	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+K-2H"	36.948606
"957918"	761.557594	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-H+HCOOH"	44.998194
"370300"	1478.117001	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+HCOOH-H"	44.998201
"351997"	1492.132651	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+Hac-H"	59.013851
"1495360"	775.573251	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Hac-H"	59.013851
"962900"	783.539551	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-H+NaCOOH"	66.980151
"117274"	751.528802	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+2Cl"	69.938804
"551731"	1109.808502	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+2Cl"	69.938804
"1023081"	393.249102	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2Cl"	69.938804
"1243024"	795.478285	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Br"	78.918885
"1305106"	797.534272	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Cl+HCOOH"	80.974872
"1320532"	819.516229	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Cl+NaCOOH"	102.956829
"912203"	829.544986	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M-H+CF3COOH"	112.985586
"1288555"	865.521664	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Cl+CF3COOH"	148.962264
"1367162"	681.546724	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H-2H2O"	-35.012676
"1388592"	699.5567	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H-H2O"	-17.0027
"291558"	1434.126076	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+H"	1.007276
"685072"	2150.685476	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+H"	1.007276
"1354859"	717.566676	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H"	1.007276
"129938"	717.566676	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+2H"	2.014552
"570590"	1075.846376	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+2H"	2.014552
"1043764"	359.286976	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2H"	2.014552
"217133"	478.713542666667	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+3H"	3.021828
"657789"	717.566676	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+3H"	3.021828
"1177621"	239.860409333333	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+3H"	3.021828
"437732"	1451.152623	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+NH4"	18.033823
"797269"	2167.712023	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+NH4"	18.033823
"1692140"	734.593223	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+NH4"	18.033823
"337138"	726.0799495	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+H+NH4"	19.041099
"730656"	1084.3596495	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+H+NH4"	19.041099
"1481561"	367.8002495	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H+NH4"	19.041099
"396961"	1456.108018	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+Na"	22.989218
"758686"	2172.667418	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+Na"	22.989218
"1607879"	739.548618	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Na"	22.989218
"316821"	728.557647	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+H+Na"	23.996494
"710334"	1086.837347	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+H+Na"	23.996494
"1463181"	370.277947	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H+Na"	23.996494
"1057397"	247.187723333333	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2H+Na"	25.00377
"1257371"	749.592886	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+CH3OH+H"	33.033486
"385304"	1472.081958	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+K"	38.963158
"742290"	2188.641358	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+K"	38.963158
"1546162"	755.522558	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+K"	38.963158
"305528"	736.544617	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+H+K"	39.970434
"693940"	1094.824317	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+H+K"	39.970434
"1446181"	378.264917	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H+K"	39.970434
"235874"	1475.152626	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+ACN+H"	42.033826
"1209996"	758.593226	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+ACN+H"	42.033826
"1195382"	379.800251	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+ACN+2H"	43.041102
"189103"	1478.08996	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+2Na-H"	44.97116
"628983"	2194.64936	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+2Na-H"	44.97116
"1143851"	761.53056	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2Na-H"	44.97116
"181674"	739.548618	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+2Na"	45.978436
"621233"	1097.828318	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+2Na"	45.978436
"1121092"	381.268918	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2Na"	45.978436
"1402062"	254.515037333333	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H+2Na"	46.985712
"1434912"	763.572146	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H+HCOOH"	47.012746
"230078"	744.58164	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+3H2O+2H"	56.04448
"1520325"	777.62419	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+IsoProp+H"	61.06479
"415637"	747.535588	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+Na+K"	61.952376
"775537"	1105.815288	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+Na+K"	61.952376
"1668950"	389.255888	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Na+K"	61.952376
"258754"	1497.134568	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+ACN+Na"	64.015768
"1230370"	780.575168	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+ACN+Na"	64.015768
"1725456"	780.598693	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+NH4+HCOOH"	64.039293
"1188623"	261.842351333333	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+3Na"	68.967654
"1658515"	785.554088	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Na+HCOOH"	68.994688
"160272"	1510.03784	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+2K-H"	76.91904
"602749"	2226.59724	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+2K-H"	76.91904
"1090177"	793.47844	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2K-H"	76.91904
"143107"	755.522558	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"2M+2K"	77.926316
"588753"	1113.802258	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"3M+2K"	77.926316
"1083365"	397.242858	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2K"	77.926316
"1115482"	795.492992	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2K+H"	78.933592
"1350894"	795.580607	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+DMSO+H"	79.021207
"1020272"	799.619776	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2ACN+H"	83.060376
"1539365"	800.613408	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+IsoProp+Na+H"	84.054008
"997427"	400.313526	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+2ACN+2H"	84.067652
"1599950"	801.528028	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+K+HCOOH"	84.968628
"1429258"	831.559538	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+H+CF3COOH"	115.000138
"1162683"	420.826801	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+3ACN+2H"	125.094202
"1711649"	848.586085	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+NH4+CF3COOH"	132.026685
"1647298"	853.54148	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+Na+CF3COOH"	136.98208
"1579666"	869.51542	"C13895"	"1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"	"C40H79NO7P"	"716.5594"	"M+K+CF3COOH"	152.95602
"810033"	1424.3239	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M"	0
"982474"	1405.30551	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-H2O-H"	-19.01839
"63424"	948.541990666667	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M-3H"	-3.021828
"503713"	1423.316624	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M-3H"	-3.021828
"881512"	473.767357333333	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-3H"	-3.021828
"1177"	1423.316624	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M-2H"	-2.014552
"440859"	2135.478574	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M-2H"	-2.014552
"817164"	711.154674	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-2H"	-2.014552
"78773"	2847.640524	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M-H"	-1.007276
"519062"	4271.964424	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M-H"	-1.007276
"896623"	1423.316624	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-H"	-1.007276
"47307"	2864.667071	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M-2H+NH4"	16.019271
"490207"	4288.990971	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M-2H+NH4"	16.019271
"868738"	1440.343171	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-2H+NH4"	16.019271
"31583"	2869.622466	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M-2H+Na"	20.974666
"471820"	4293.946366	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M-2H+Na"	20.974666
"849621"	1445.298566	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-2H+Na"	20.974666
"1619885"	1445.298566	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Na-2H"	20.974666
"94467"	1441.304963	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M-H+Cl"	33.962126
"534553"	2153.466913	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M-H+Cl"	33.962126
"930583"	729.143013	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-H+Cl"	33.962126
"269870"	2883.617202	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+Cl"	34.969402
"662653"	4307.941102	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+Cl"	34.969402
"1275056"	1459.293302	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Cl"	34.969402
"16518"	2885.596406	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M-2H+K"	36.948606
"461921"	4309.920306	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M-2H+K"	36.948606
"843003"	1461.272506	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-2H+K"	36.948606
"1570144"	1461.272506	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+K-2H"	36.948606
"957909"	1469.322094	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-H+HCOOH"	44.998194
"373690"	2893.646001	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+HCOOH-H"	44.998201
"352107"	2907.661651	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+Hac-H"	59.013851
"1495470"	1483.337751	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Hac-H"	59.013851
"963010"	1491.304051	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-H+NaCOOH"	66.980151
"119571"	1459.293302	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+2Cl"	69.938804
"554759"	2171.455252	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+2Cl"	69.938804
"1025743"	747.131352	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2Cl"	69.938804
"1245322"	1503.242785	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Br"	78.918885
"1308497"	1505.298772	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Cl+HCOOH"	80.974872
"1320891"	1527.280729	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Cl+NaCOOH"	102.956829
"917416"	1537.309486	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M-H+CF3COOH"	112.985586
"1288733"	1573.286164	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Cl+CF3COOH"	148.962264
"1367379"	1389.311224	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H-2H2O"	-35.012676
"1393076"	1407.3212	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H-H2O"	-17.0027
"291668"	2849.655076	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+H"	1.007276
"685182"	4273.978976	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+H"	1.007276
"1356063"	1425.331176	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H"	1.007276
"131141"	1425.331176	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+2H"	2.014552
"571793"	2137.493126	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+2H"	2.014552
"1044967"	713.169226	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2H"	2.014552
"217122"	950.556542666667	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+3H"	3.021828
"657898"	1425.331176	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+3H"	3.021828
"1176882"	475.781909333333	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+3H"	3.021828
"439425"	2866.681623	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+NH4"	18.033823
"799205"	4291.005523	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+NH4"	18.033823
"1695535"	1442.357723	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+NH4"	18.033823
"341621"	1433.8444495	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+H+NH4"	19.041099
"737451"	2146.0063995	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+H+NH4"	19.041099
"1487867"	721.6824995	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H+NH4"	19.041099
"397800"	2871.637018	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+Na"	22.989218
"758796"	4295.960918	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+Na"	22.989218
"1612363"	1447.313118	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Na"	22.989218
"316932"	1436.322147	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+H+Na"	23.996494
"708379"	2148.484097	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+H+Na"	23.996494
"1463414"	724.160197	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H+Na"	23.996494
"1057507"	483.109223333333	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2H+Na"	25.00377
"1259548"	1457.357386	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+CH3OH+H"	33.033486
"384321"	2887.610958	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+K"	38.963158
"744223"	4311.934858	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+K"	38.963158
"1544086"	1463.287058	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+K"	38.963158
"303451"	1444.309117	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+H+K"	39.970434
"693686"	2156.471067	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+H+K"	39.970434
"1450786"	732.147167	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H+K"	39.970434
"240480"	2890.681626	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+ACN+H"	42.033826
"1209927"	1466.357726	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+ACN+H"	42.033826
"1194211"	733.682501	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+ACN+2H"	43.041102
"188674"	2893.61896	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+2Na-H"	44.97116
"628628"	4317.94286	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+2Na-H"	44.97116
"1143961"	1469.29506	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2Na-H"	44.97116
"181784"	1447.313118	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+2Na"	45.978436
"620250"	2159.475068	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+2Na"	45.978436
"1121568"	735.151168	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2Na"	45.978436
"1405091"	490.436537333333	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H+2Na"	46.985712
"1436115"	1471.336646	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H+HCOOH"	47.012746
"226907"	1452.34614	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+3H2O+2H"	56.04448
"1519342"	1485.38869	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+IsoProp+H"	61.06479
"414654"	1455.300088	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+Na+K"	61.952376
"774554"	2167.462038	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+Na+K"	61.952376
"1668696"	743.138138	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Na+K"	61.952376
"256308"	2912.663568	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+ACN+Na"	64.015768
"1230480"	1488.339668	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+ACN+Na"	64.015768
"1724473"	1488.363193	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+NH4+HCOOH"	64.039293
"1189826"	497.763851333333	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+3Na"	68.967654
"1658625"	1493.318588	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Na+HCOOH"	68.994688
"161478"	2925.56684	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+2K-H"	76.91904
"601402"	4349.89074	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+2K-H"	76.91904
"1089923"	1501.24294	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2K-H"	76.91904
"141881"	1463.287058	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"2M+2K"	77.926316
"581450"	2175.449008	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"3M+2K"	77.926316
"1084045"	751.125108	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2K"	77.926316
"1115514"	1503.257492	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2K+H"	78.933592
"1350761"	1503.345107	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+DMSO+H"	79.021207
"1021075"	1507.384276	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2ACN+H"	83.060376
"1539474"	1508.377908	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+IsoProp+Na+H"	84.054008
"1000817"	754.195776	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+2ACN+2H"	84.067652
"1598967"	1509.292528	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+K+HCOOH"	84.968628
"1429653"	1539.324038	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+H+CF3COOH"	115.000138
"1162208"	774.709051	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+3ACN+2H"	125.094202
"1710665"	1556.350585	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+NH4+CF3COOH"	132.026685
"1647408"	1561.30598	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+Na+CF3COOH"	136.98208
"1579776"	1577.27992	"C13896"	"sn-Caldarchaeo-1-phosphoethanolamine"	"C88H178NO9P"	"1424.3239"	"M+K+CF3COOH"	152.95602
"810143"	1604.3873	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M"	0
"982584"	1585.36891	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-H2O-H"	-19.01839
"63535"	1068.58425733333	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M-3H"	-3.021828
"504917"	1603.380024	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M-3H"	-3.021828
"880240"	533.788490666667	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-3H"	-3.021828
"392"	1603.380024	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M-2H"	-2.014552
"440193"	2405.573674	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M-2H"	-2.014552
"817670"	801.186374	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-2H"	-2.014552
"79248"	3207.767324	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M-H"	-1.007276
"518684"	4812.154624	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M-H"	-1.007276
"896614"	1603.380024	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-H"	-1.007276
"47702"	3224.793871	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M-2H+NH4"	16.019271
"489951"	4829.181171	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M-2H+NH4"	16.019271
"869577"	1620.406571	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-2H+NH4"	16.019271
"32490"	3229.749266	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M-2H+Na"	20.974666
"472294"	4834.136566	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M-2H+Na"	20.974666
"849205"	1625.361966	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-2H+Na"	20.974666
"1619995"	1625.361966	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Na-2H"	20.974666
"94415"	1621.368363	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M-H+Cl"	33.962126
"534575"	2423.562013	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M-H+Cl"	33.962126
"929236"	819.174713	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-H+Cl"	33.962126
"269251"	3243.744002	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+Cl"	34.969402
"662032"	4848.131302	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+Cl"	34.969402
"1275530"	1639.356702	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Cl"	34.969402
"18816"	3245.723206	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M-2H+K"	36.948606
"462031"	4850.110506	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M-2H+K"	36.948606
"842020"	1641.335906	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-2H+K"	36.948606
"1568796"	1641.335906	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+K-2H"	36.948606
"951209"	1649.385494	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-H+HCOOH"	44.998194
"366144"	3253.772801	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+HCOOH-H"	44.998201
"355495"	3267.788451	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+Hac-H"	59.013851
"1499953"	1663.401151	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Hac-H"	59.013851
"960934"	1671.367451	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-H+NaCOOH"	66.980151
"115307"	1639.356702	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+2Cl"	69.938804
"551344"	2441.550352	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+2Cl"	69.938804
"1023666"	837.163052	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2Cl"	69.938804
"1243245"	1683.306185	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Br"	78.918885
"1306420"	1685.362172	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Cl+HCOOH"	80.974872
"1319937"	1707.344129	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Cl+NaCOOH"	102.956829
"912423"	1717.372886	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M-H+CF3COOH"	112.985586
"1288542"	1753.349564	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Cl+CF3COOH"	148.962264
"1367652"	1569.374624	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H-2H2O"	-35.012676
"1392092"	1587.3846	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H-H2O"	-17.0027
"289591"	3209.781876	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+H"	1.007276
"682012"	4814.169176	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+H"	1.007276
"1356173"	1605.394576	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H"	1.007276
"131251"	1605.394576	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+2H"	2.014552
"570810"	2407.588226	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+2H"	2.014552
"1043984"	803.200926	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2H"	2.014552
"217232"	1070.59880933333	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+3H"	3.021828
"657644"	1605.394576	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+3H"	3.021828
"1176870"	535.803042666667	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+3H"	3.021828
"438321"	3226.808423	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+NH4"	18.033823
"798951"	4831.195723	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+NH4"	18.033823
"1696010"	1622.421123	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+NH4"	18.033823
"340638"	1613.9078495	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+H+NH4"	19.041099
"737074"	2416.1014995	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+H+NH4"	19.041099
"1485791"	811.7141995	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H+NH4"	19.041099
"402284"	3231.763818	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+Na"	22.989218
"762186"	4836.151118	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+Na"	22.989218
"1610286"	1627.376518	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Na"	22.989218
"315461"	1616.385547	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+H+Na"	23.996494
"711648"	2418.579197	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+H+Na"	23.996494
"1462310"	814.191897	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H+Na"	23.996494
"1057617"	543.130356666667	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2H+Na"	25.00377
"1259659"	1637.420786	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+CH3OH+H"	33.033486
"385523"	3247.737758	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+K"	38.963158
"743240"	4852.125058	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+K"	38.963158
"1543102"	1643.350458	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+K"	38.963158
"302467"	1624.372517	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+H+K"	39.970434
"694888"	2426.566167	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+H+K"	39.970434
"1450896"	822.178867	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H+K"	39.970434
"239497"	3250.808426	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+ACN+H"	42.033826
"1210504"	1646.421126	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+ACN+H"	42.033826
"1194753"	823.714201	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+ACN+2H"	43.041102
"190174"	3253.74576	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+2Na-H"	44.97116
"630708"	4858.13306	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+2Na-H"	44.97116
"1141885"	1649.35846	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2Na-H"	44.97116
"177155"	1627.376518	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+2Na"	45.978436
"619267"	2429.570168	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+2Na"	45.978436
"1120585"	825.182868	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2Na"	45.978436
"1403014"	550.457670666667	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H+2Na"	46.985712
"1435132"	1651.400046	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H+HCOOH"	47.012746
"229203"	1632.40954	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+3H2O+2H"	56.04448
"1513984"	1665.45209	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+IsoProp+H"	61.06479
"414398"	1635.363488	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+Na+K"	61.952376
"772840"	2437.557138	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+Na+K"	61.952376
"1666618"	833.169838	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Na+K"	61.952376
"254595"	3272.790368	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+ACN+Na"	64.015768
"1230954"	1668.403068	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+ACN+Na"	64.015768
"1722397"	1668.426593	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+NH4+HCOOH"	64.039293
"1185927"	557.784984666667	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+3Na"	68.967654
"1656911"	1673.381988	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Na+HCOOH"	68.994688
"162317"	3285.69364	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+2K-H"	76.91904
"598961"	4890.08094	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+2K-H"	76.91904
"1087481"	1681.30634	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2K-H"	76.91904
"141869"	1643.350458	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"2M+2K"	77.926316
"581588"	2445.544108	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"3M+2K"	77.926316
"1068782"	841.156808	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2K"	77.926316
"1115575"	1683.320892	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2K+H"	78.933592
"1350624"	1683.408507	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+DMSO+H"	79.021207
"1021300"	1687.447676	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2ACN+H"	83.060376
"1539544"	1688.441308	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+IsoProp+Na+H"	84.054008
"1003845"	844.227476	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+2ACN+2H"	84.067652
"1600534"	1689.355928	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+K+HCOOH"	84.968628
"1429114"	1719.387438	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+H+CF3COOH"	115.000138
"1162278"	864.740751	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+3ACN+2H"	125.094202
"1712440"	1736.413985	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+NH4+CF3COOH"	132.026685
"1647153"	1741.36938	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+Na+CF3COOH"	136.98208
"1579886"	1757.34332	"C13897"	"sn-Caldito-1-phosphoethanolamine"	"C94H190NO15P"	"1604.3873"	"M+K+CF3COOH"	152.95602
"813534"	665.3904	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M"	0
"988893"	646.37201	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-H2O-H"	-19.01839
"72036"	442.586324	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M-3H"	-3.021828
"511592"	664.383124	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M-3H"	-3.021828
"885018"	220.789524	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-3H"	-3.021828
"3592"	664.383124	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M-2H"	-2.014552
"442055"	997.078324	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M-2H"	-2.014552
"818032"	331.687924	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-2H"	-2.014552
"79602"	1329.773524	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M-H"	-1.007276
"523786"	1995.163924	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M-H"	-1.007276
"899401"	664.383124	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-H"	-1.007276
"47940"	1346.800071	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M-2H+NH4"	16.019271
"490061"	2012.190471	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M-2H+NH4"	16.019271
"873332"	681.409671	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-2H+NH4"	16.019271
"42327"	1351.755466	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M-2H+Na"	20.974666
"481888"	2017.145866	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M-2H+Na"	20.974666
"856407"	686.365066	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-2H+Na"	20.974666
"1625941"	686.365066	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Na-2H"	20.974666
"101739"	682.371463	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M-H+Cl"	33.962126
"543124"	1015.066663	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M-H+Cl"	33.962126
"933356"	349.676263	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-H+Cl"	33.962126
"277383"	1365.750202	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+Cl"	34.969402
"670898"	2031.140602	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+Cl"	34.969402
"1277834"	700.359802	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Cl"	34.969402
"21483"	1367.729406	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M-2H+K"	36.948606
"467613"	2033.119806	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M-2H+K"	36.948606
"846505"	702.339006	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-2H+K"	36.948606
"1570003"	702.339006	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+K-2H"	36.948606
"957158"	710.388594	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-H+HCOOH"	44.998194
"376426"	1375.779001	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+HCOOH-H"	44.998201
"355607"	1389.794651	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+Hac-H"	59.013851
"1503345"	724.404251	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Hac-H"	59.013851
"967605"	732.370551	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-H+NaCOOH"	66.980151
"120885"	700.359802	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+2Cl"	69.938804
"559352"	1033.055002	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+2Cl"	69.938804
"1030337"	367.664602	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2Cl"	69.938804
"1245543"	744.309285	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Br"	78.918885
"1309087"	746.365272	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Cl+HCOOH"	80.974872
"1320383"	768.347229	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Cl+NaCOOH"	102.956829
"912902"	778.375986	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M-H+CF3COOH"	112.985586
"1292164"	814.352664	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Cl+CF3COOH"	148.962264
"1371421"	630.377724	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H-2H2O"	-35.012676
"1393295"	648.3877	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H-H2O"	-17.0027
"290796"	1331.788076	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+H"	1.007276
"686498"	1997.178476	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+H"	1.007276
"1365035"	666.397676	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H"	1.007276
"133549"	666.397676	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+2H"	2.014552
"574202"	999.092876	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+2H"	2.014552
"1050787"	333.702476	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2H"	2.014552
"218936"	444.600876	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+3H"	3.021828
"657032"	666.397676	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+3H"	3.021828
"1177346"	222.804076	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+3H"	3.021828
"438426"	1348.814623	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+NH4"	18.033823
"795048"	2014.205023	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+NH4"	18.033823
"1696117"	683.424223	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+NH4"	18.033823
"344030"	674.9109495	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+H+NH4"	19.041099
"736821"	1007.6061495	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+H+NH4"	19.041099
"1489182"	342.2157495	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H+NH4"	19.041099
"402396"	1353.770018	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+Na"	22.989218
"764483"	2019.160418	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+Na"	22.989218
"1605296"	688.379618	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Na"	22.989218
"318248"	677.388647	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+H+Na"	23.996494
"713948"	1010.083847	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+H+Na"	23.996494
"1469954"	344.693447	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H+Na"	23.996494
"1056637"	230.13139	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2H+Na"	25.00377
"1264873"	698.423886	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+CH3OH+H"	33.033486
"381260"	1369.743958	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+K"	38.963158
"744441"	2035.134358	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+K"	38.963158
"1544311"	704.353558	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+K"	38.963158
"302580"	685.375617	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+H+K"	39.970434
"693181"	1018.070817	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+H+K"	39.970434
"1445903"	352.680417	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H+K"	39.970434
"235919"	1372.814626	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+ACN+H"	42.033826
"1214145"	707.424226	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+ACN+H"	42.033826
"1194988"	354.215751	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+ACN+2H"	43.041102
"195638"	1375.75196	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+2Na-H"	44.97116
"629725"	2041.14236	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+2Na-H"	44.97116
"1141998"	710.36156	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2Na-H"	44.97116
"179818"	688.379618	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+2Na"	45.978436
"615730"	1021.074818	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+2Na"	45.978436
"1122884"	355.684418	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2Na"	45.978436
"1401303"	237.458704	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H+2Na"	46.985712
"1437432"	712.403146	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H+HCOOH"	47.012746
"232596"	693.41264	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+3H2O+2H"	56.04448
"1520658"	726.45519	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+IsoProp+H"	61.06479
"414145"	696.366588	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+Na+K"	61.952376
"777327"	1029.061788	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+Na+K"	61.952376
"1667824"	363.671388	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Na+K"	61.952376
"254708"	1394.796568	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+ACN+Na"	64.015768
"1231064"	729.406168	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+ACN+Na"	64.015768
"1721413"	729.429693	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+NH4+HCOOH"	64.039293
"1187861"	244.786018	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+3Na"	68.967654
"1655569"	734.385088	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Na+HCOOH"	68.994688
"161338"	1407.69984	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+2K-H"	76.91904
"599076"	2073.09024	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+2K-H"	76.91904
"1088691"	742.30944	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2K-H"	76.91904
"146604"	704.353558	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"2M+2K"	77.926316
"586163"	1037.048758	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"3M+2K"	77.926316
"1069944"	371.658358	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2K"	77.926316
"1114347"	744.323992	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2K+H"	78.933592
"1349030"	744.411607	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+DMSO+H"	79.021207
"1018654"	748.450776	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2ACN+H"	83.060376
"1538967"	749.444408	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+IsoProp+Na+H"	84.054008
"1004926"	374.729026	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+2ACN+2H"	84.067652
"1599914"	750.359028	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+K+HCOOH"	84.968628
"1427765"	780.390538	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+H+CF3COOH"	115.000138
"1160237"	395.242301	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+3ACN+2H"	125.094202
"1712683"	797.417085	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+NH4+CF3COOH"	132.026685
"1645440"	802.37248	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+Na+CF3COOH"	136.98208
"1579996"	818.34642	"C13898"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO11P"	"665.3904"	"M+K+CF3COOH"	152.95602
"810363"	663.3747	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M"	0
"977335"	644.35631	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-H2O-H"	-19.01839
"65941"	441.242524	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M-3H"	-3.021828
"503071"	662.367424	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M-3H"	-3.021828
"880259"	220.117624	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-3H"	-3.021828
"528"	662.367424	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M-2H"	-2.014552
"440456"	994.054774	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M-2H"	-2.014552
"817448"	330.680074	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-2H"	-2.014552
"78853"	1325.742124	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M-H"	-1.007276
"522803"	1989.116824	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M-H"	-1.007276
"899875"	662.367424	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-H"	-1.007276
"47927"	1342.768671	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M-2H+NH4"	16.019271
"490171"	2006.143371	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M-2H+NH4"	16.019271
"873442"	679.393971	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-2H+NH4"	16.019271
"41344"	1347.724066	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M-2H+Na"	20.974666
"481998"	2011.098766	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M-2H+Na"	20.974666
"856517"	684.349366	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-2H+Na"	20.974666
"1626415"	684.349366	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Na-2H"	20.974666
"100027"	680.355763	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M-H+Cl"	33.962126
"540318"	1012.043113	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M-H+Cl"	33.962126
"931644"	348.668413	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-H+Cl"	33.962126
"277493"	1361.718802	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+Cl"	34.969402
"665540"	2025.093502	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+Cl"	34.969402
"1277944"	698.344102	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Cl"	34.969402
"21593"	1363.698006	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M-2H+K"	36.948606
"468451"	2027.072706	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M-2H+K"	36.948606
"841147"	700.323306	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-2H+K"	36.948606
"1569017"	700.323306	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+K-2H"	36.948606
"952526"	708.372894	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-H+HCOOH"	44.998194
"371834"	1371.747601	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+HCOOH-H"	44.998201
"350249"	1385.763251	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+Hac-H"	59.013851
"1503454"	722.388551	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Hac-H"	59.013851
"967715"	730.354851	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-H+NaCOOH"	66.980151
"123183"	698.344102	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+2Cl"	69.938804
"559463"	1030.031452	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+2Cl"	69.938804
"1033727"	366.656752	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2Cl"	69.938804
"1244559"	742.293585	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Br"	78.918885
"1305914"	744.349572	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Cl+HCOOH"	80.974872
"1320493"	766.331529	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Cl+NaCOOH"	102.956829
"912648"	776.360286	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M-H+CF3COOH"	112.985586
"1289479"	812.336964	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Cl+CF3COOH"	148.962264
"1367072"	628.362024	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H-2H2O"	-35.012676
"1387936"	646.372	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H-H2O"	-17.0027
"287623"	1327.756676	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+H"	1.007276
"685514"	1991.131376	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+H"	1.007276
"1356395"	664.381976	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H"	1.007276
"130378"	664.381976	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+2H"	2.014552
"568112"	996.069326	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+2H"	2.014552
"1051134"	332.694626	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2H"	2.014552
"219286"	443.257076	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+3H"	3.021828
"659091"	664.381976	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+3H"	3.021828
"1178187"	222.132176	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+3H"	3.021828
"438782"	1344.783223	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+NH4"	18.033823
"799534"	2008.157923	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+NH4"	18.033823
"1695863"	681.408523	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+NH4"	18.033823
"345237"	672.8952495	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+H+NH4"	19.041099
"737295"	1004.5825995	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+H+NH4"	19.041099
"1490751"	341.2078995	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H+NH4"	19.041099
"402506"	1349.738618	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+Na"	22.989218
"762406"	2013.113318	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+Na"	22.989218
"1610508"	686.363918	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Na"	22.989218
"316534"	675.372947	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+H+Na"	23.996494
"716245"	1007.060297	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+H+Na"	23.996494
"1467877"	343.685597	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H+Na"	23.996494
"1057840"	229.45949	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2H+Na"	25.00377
"1266077"	696.408186	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+CH3OH+H"	33.033486
"384652"	1365.712558	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+K"	38.963158
"743458"	2029.087258	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+K"	38.963158
"1546606"	702.337858	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+K"	38.963158
"300869"	683.359917	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+H+K"	39.970434
"692196"	1015.047267	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+H+K"	39.970434
"1450024"	351.672567	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H+K"	39.970434
"236805"	1368.783226	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+ACN+H"	42.033826
"1213891"	705.408526	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+ACN+H"	42.033826
"1195096"	353.207901	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+ACN+2H"	43.041102
"191739"	1371.72056	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+2Na-H"	44.97116
"629592"	2035.09526	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+2Na-H"	44.97116
"1142107"	708.34586	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2Na-H"	44.97116
"178835"	686.363918	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+2Na"	45.978436
"617298"	1018.051268	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+2Na"	45.978436
"1121171"	354.676568	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2Na"	45.978436
"1402141"	236.786804	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H+2Na"	46.985712
"1437542"	710.387446	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H+HCOOH"	47.012746
"229426"	691.39694	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+3H2O+2H"	56.04448
"1518580"	724.43949	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+IsoProp+H"	61.06479
"416078"	694.350888	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+Na+K"	61.952376
"774155"	1026.038238	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+Na+K"	61.952376
"1669393"	362.663538	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Na+K"	61.952376
"258099"	1390.765168	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+ACN+Na"	64.015768
"1231174"	727.390468	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+ACN+Na"	64.015768
"1718607"	727.413993	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+NH4+HCOOH"	64.039293
"1187971"	244.114118	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+3Na"	68.967654
"1656772"	732.369388	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Na+HCOOH"	68.994688
"159985"	1403.66844	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+2K-H"	76.91904
"600278"	2067.04314	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+2K-H"	76.91904
"1090988"	740.29374	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2K-H"	76.91904
"146714"	702.337858	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"2M+2K"	77.926316
"585180"	1034.025208	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"3M+2K"	77.926316
"1069082"	370.650508	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2K"	77.926316
"1113847"	742.308292	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2K+H"	78.933592
"1350114"	742.395907	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+DMSO+H"	79.021207
"1020223"	746.435076	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2ACN+H"	83.060376
"1539200"	747.428708	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+IsoProp+Na+H"	84.054008
"1004431"	373.721176	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+2ACN+2H"	84.067652
"1601118"	748.343328	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+K+HCOOH"	84.968628
"1428604"	778.374838	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+H+CF3COOH"	115.000138
"1160958"	394.234451	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+3ACN+2H"	125.094202
"1711726"	795.401385	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+NH4+CF3COOH"	132.026685
"1645550"	800.35678	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+Na+CF3COOH"	136.98208
"1580106"	816.33072	"C13900"	"1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO11P"	"663.3747"	"M+K+CF3COOH"	152.95602
"810473"	649.3955	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M"	0
"977444"	630.37711	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-H2O-H"	-19.01839
"66781"	431.923057333333	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M-3H"	-3.021828
"503218"	648.388224	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M-3H"	-3.021828
"881952"	215.457890666667	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-3H"	-3.021828
"604"	648.388224	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M-2H"	-2.014552
"440691"	973.085974	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M-2H"	-2.014552
"817886"	323.690474	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-2H"	-2.014552
"78968"	1297.783724	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M-H"	-1.007276
"520480"	1947.179224	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M-H"	-1.007276
"896944"	648.388224	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-H"	-1.007276
"48038"	1314.810271	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M-2H+NH4"	16.019271
"493926"	1964.205771	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M-2H+NH4"	16.019271
"871365"	665.414771	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-2H+NH4"	16.019271
"41454"	1319.765666	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M-2H+Na"	20.974666
"481012"	1969.161166	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M-2H+Na"	20.974666
"855532"	670.370166	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-2H+Na"	20.974666
"1619960"	670.370166	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Na-2H"	20.974666
"97219"	666.376563	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M-H+Cl"	33.962126
"537873"	991.074313	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M-H+Cl"	33.962126
"928836"	341.678813	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-H+Cl"	33.962126
"277603"	1333.760402	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+Cl"	34.969402
"665650"	1983.155902	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+Cl"	34.969402
"1279147"	684.364902	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Cl"	34.969402
"22794"	1335.739606	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M-2H+K"	36.948606
"467830"	1985.135106	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M-2H+K"	36.948606
"845630"	686.344106	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-2H+K"	36.948606
"1570710"	686.344106	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+K-2H"	36.948606
"957257"	694.393694	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-H+HCOOH"	44.998194
"375834"	1343.789201	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+HCOOH-H"	44.998201
"355827"	1357.804851	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+Hac-H"	59.013851
"1500285"	708.409351	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Hac-H"	59.013851
"973292"	716.375651	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-H+NaCOOH"	66.980151
"125487"	684.364902	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+2Cl"	69.938804
"559573"	1009.062652	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+2Cl"	69.938804
"1033837"	359.667152	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2Cl"	69.938804
"1247949"	728.314385	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Br"	78.918885
"1306025"	730.370372	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Cl+HCOOH"	80.974872
"1320240"	752.352329	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Cl+NaCOOH"	102.956829
"912506"	762.381086	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M-H+CF3COOH"	112.985586
"1292384"	798.357764	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Cl+CF3COOH"	148.962264
"1370546"	614.382824	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H-2H2O"	-35.012676
"1391326"	632.3928	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H-H2O"	-17.0027
"293200"	1299.798276	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+H"	1.007276
"687812"	1949.193776	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+H"	1.007276
"1359787"	650.402776	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H"	1.007276
"132673"	650.402776	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+2H"	2.014552
"573328"	975.100526	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+2H"	2.014552
"1051244"	325.705026	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2H"	2.014552
"219643"	433.937609333333	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+3H"	3.021828
"659609"	650.402776	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+3H"	3.021828
"1178380"	217.472442666667	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+3H"	3.021828
"439504"	1316.824823	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+NH4"	18.033823
"800741"	1966.220323	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+NH4"	18.033823
"1695610"	667.429323	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+NH4"	18.033823
"345680"	658.9160495	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+H+NH4"	19.041099
"737405"	983.6137995	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+H+NH4"	19.041099
"1490498"	334.2182995	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H+NH4"	19.041099
"401522"	1321.780218	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+Na"	22.989218
"767619"	1971.175718	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+Na"	22.989218
"1609525"	672.384718	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Na"	22.989218
"322840"	661.393747	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+H+Na"	23.996494
"714168"	986.091497	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+H+Na"	23.996494
"1474547"	336.695997	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H+Na"	23.996494
"1059043"	224.799756666667	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2H+Na"	25.00377
"1265094"	682.428986	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+CH3OH+H"	33.033486
"384762"	1337.754158	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+K"	38.963158
"743571"	1987.149658	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+K"	38.963158
"1546715"	688.358658	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+K"	38.963158
"304986"	669.380717	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+H+K"	39.970434
"693036"	994.078467	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+H+K"	39.970434
"1449041"	344.682967	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H+K"	39.970434
"238736"	1340.824826	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+ACN+H"	42.033826
"1211568"	691.429326	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+ACN+H"	42.033826
"1194513"	346.218301	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+ACN+2H"	43.041102
"194765"	1343.76216	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+2Na-H"	44.97116
"629823"	1993.15766	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+2Na-H"	44.97116
"1145497"	694.36666	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2Na-H"	44.97116
"177486"	672.384718	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+2Na"	45.978436
"617408"	997.082468	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+2Na"	45.978436
"1125291"	347.686968	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2Na"	45.978436
"1406627"	232.127070666667	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H+2Na"	46.985712
"1440933"	696.408246	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H+HCOOH"	47.012746
"231723"	677.41774	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+3H2O+2H"	56.04448
"1520878"	710.46029	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+IsoProp+H"	61.06479
"421655"	680.371688	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+Na+K"	61.952376
"776453"	1005.069438	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+Na+K"	61.952376
"1670596"	355.673938	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Na+K"	61.952376
"258209"	1362.806768	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+ACN+Na"	64.015768
"1229096"	713.411268	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+ACN+Na"	64.015768
"1721633"	713.434793	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+NH4+HCOOH"	64.039293
"1186987"	239.454384666667	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+3Na"	68.967654
"1659069"	718.390188	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Na+HCOOH"	68.994688
"160461"	1375.71004	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+2K-H"	76.91904
"603302"	2025.10554	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+2K-H"	76.91904
"1090004"	726.31454	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2K-H"	76.91904
"151198"	688.358658	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"2M+2K"	77.926316
"586384"	1013.056408	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"3M+2K"	77.926316
"1071987"	363.660908	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2K"	77.926316
"1108482"	728.329092	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2K+H"	78.933592
"1349979"	728.416707	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+DMSO+H"	79.021207
"1019845"	732.455876	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2ACN+H"	83.060376
"1535904"	733.449508	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+IsoProp+Na+H"	84.054008
"1005395"	366.731576	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+2ACN+2H"	84.067652
"1601228"	734.364128	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+K+HCOOH"	84.968628
"1426890"	764.395638	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+H+CF3COOH"	115.000138
"1161674"	387.244851	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+3ACN+2H"	125.094202
"1711835"	781.422185	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+NH4+CF3COOH"	132.026685
"1645660"	786.37758	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+Na+CF3COOH"	136.98208
"1580216"	802.35152	"C13901"	"1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H60NO10P"	"649.3955"	"M+K+CF3COOH"	152.95602
"810583"	647.3798	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M"	0
"978648"	628.36141	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-H2O-H"	-19.01839
"64820"	430.579257333333	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M-3H"	-3.021828
"505354"	646.372524	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M-3H"	-3.021828
"881817"	214.785990666667	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-3H"	-3.021828
"756"	646.372524	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M-2H"	-2.014552
"440559"	970.062424	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M-2H"	-2.014552
"817632"	322.682624	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-2H"	-2.014552
"78755"	1293.752324	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M-H"	-1.007276
"518634"	1941.132124	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M-H"	-1.007276
"898271"	646.372524	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-H"	-1.007276
"49121"	1310.778871	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M-2H+NH4"	16.019271
"491851"	1958.158671	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M-2H+NH4"	16.019271
"870017"	663.399071	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-2H+NH4"	16.019271
"38283"	1315.734266	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M-2H+Na"	20.974666
"477477"	1963.114066	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M-2H+Na"	20.974666
"852727"	668.354466	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-2H+Na"	20.974666
"1622259"	668.354466	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Na-2H"	20.974666
"102798"	664.360863	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M-H+Cl"	33.962126
"539077"	988.050763	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M-H+Cl"	33.962126
"929311"	340.670963	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-H+Cl"	33.962126
"277713"	1329.729002	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+Cl"	34.969402
"665031"	1977.108802	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+Cl"	34.969402
"1278528"	682.349202	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Cl"	34.969402
"19625"	1331.708206	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M-2H+K"	36.948606
"471378"	1979.088006	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M-2H+K"	36.948606
"847927"	684.328406	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-2H+K"	36.948606
"1571158"	684.328406	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+K-2H"	36.948606
"957120"	692.377994	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-H+HCOOH"	44.998194
"377094"	1339.757801	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+HCOOH-H"	44.998201
"361319"	1353.773451	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+Hac-H"	59.013851
"1508446"	706.393651	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Hac-H"	59.013851
"971216"	714.359951	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-H+NaCOOH"	66.980151
"116842"	682.349202	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+2Cl"	69.938804
"560777"	1006.039102	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+2Cl"	69.938804
"1035772"	358.659302	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2Cl"	69.938804
"1251339"	726.298685	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Br"	78.918885
"1314880"	728.354672	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Cl+HCOOH"	80.974872
"1321079"	750.336629	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Cl+NaCOOH"	102.956829
"911768"	760.365386	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M-H+CF3COOH"	112.985586
"1292858"	796.342064	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Cl+CF3COOH"	148.962264
"1370656"	612.367124	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H-2H2O"	-35.012676
"1388155"	630.3771	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H-H2O"	-17.0027
"290027"	1295.766876	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+H"	1.007276
"688651"	1943.146676	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+H"	1.007276
"1363177"	648.387076	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H"	1.007276
"131690"	648.387076	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+2H"	2.014552
"571253"	972.076976	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+2H"	2.014552
"1049894"	324.697176	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2H"	2.014552
"219751"	432.593809333333	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+3H"	3.021828
"659147"	648.387076	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+3H"	3.021828
"1177678"	216.800542666667	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+3H"	3.021828
"438758"	1312.793423	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+NH4"	18.033823
"798660"	1960.173223	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+NH4"	18.033823
"1696214"	665.413623	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+NH4"	18.033823
"345543"	656.9003495	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+H+NH4"	19.041099
"737515"	980.5902495	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+H+NH4"	19.041099
"1490607"	333.2104495	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H+NH4"	19.041099
"400537"	1317.748818	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+Na"	22.989218
"768093"	1965.128618	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+Na"	22.989218
"1611822"	670.369018	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Na"	22.989218
"322950"	659.378047	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+H+Na"	23.996494
"710998"	983.067947	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+H+Na"	23.996494
"1471377"	335.688147	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H+Na"	23.996494
"1060247"	224.127856666667	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2H+Na"	25.00377
"1266298"	680.413286	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+CH3OH+H"	33.033486
"384875"	1333.722758	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+K"	38.963158
"743685"	1981.102558	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+K"	38.963158
"1545006"	686.342958	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+K"	38.963158
"304004"	667.365017	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+H+K"	39.970434
"692414"	991.054917	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+H+K"	39.970434
"1446600"	343.675117	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H+K"	39.970434
"238116"	1336.793426	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+ACN+H"	42.033826
"1210219"	689.413626	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+ACN+H"	42.033826
"1195072"	345.210451	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+ACN+2H"	43.041102
"190501"	1339.73076	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+2Na-H"	44.97116
"630784"	1987.11056	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+2Na-H"	44.97116
"1136125"	692.35096	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2Na-H"	44.97116
"179419"	670.369018	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+2Na"	45.978436
"622987"	994.058918	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+2Na"	45.978436
"1127588"	346.679118	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2Na"	45.978436
"1408924"	231.455170666667	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H+2Na"	46.985712
"1439950"	694.392546	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H+HCOOH"	47.012746
"230736"	675.40204	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+3H2O+2H"	56.04448
"1516611"	708.44459	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+IsoProp+H"	61.06479
"420672"	678.355988	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+Na+K"	61.952376
"776563"	1002.045888	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+Na+K"	61.952376
"1670707"	354.666088	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Na+K"	61.952376
"259413"	1358.775368	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+ACN+Na"	64.015768
"1231028"	711.395568	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+ACN+Na"	64.015768
"1721742"	711.419093	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+NH4+HCOOH"	64.039293
"1186004"	238.782484666667	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+3Na"	68.967654
"1655897"	716.374488	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Na+HCOOH"	68.994688
"162028"	1371.67864	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+2K-H"	76.91904
"602320"	2019.05844	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+2K-H"	76.91904
"1090114"	724.29884	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2K-H"	76.91904
"153496"	686.342958	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"2M+2K"	77.926316
"595367"	1010.032858	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"3M+2K"	77.926316
"1078661"	362.653058	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2K"	77.926316
"1109685"	726.313392	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2K+H"	78.933592
"1349359"	726.401007	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+DMSO+H"	79.021207
"1020973"	730.440176	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2ACN+H"	83.060376
"1538201"	731.433808	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+IsoProp+Na+H"	84.054008
"1001367"	365.723726	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+2ACN+2H"	84.067652
"1601825"	732.348428	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+K+HCOOH"	84.968628
"1429554"	762.379938	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+H+CF3COOH"	115.000138
"1162271"	386.237001	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+3ACN+2H"	125.094202
"1711947"	779.406485	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+NH4+CF3COOH"	132.026685
"1649701"	784.36188	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+Na+CF3COOH"	136.98208
"1580326"	800.33582	"C13902"	"1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine"	"C32H58NO10P"	"647.3798"	"M+K+CF3COOH"	152.95602
"810693"	481.3532	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M"	0
"975478"	462.33481	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-H2O-H"	-19.01839
"62936"	319.894857333333	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M-3H"	-3.021828
"503396"	480.345924	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M-3H"	-3.021828
"880348"	159.443790666667	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-3H"	-3.021828
"69"	480.345924	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M-2H"	-2.014552
"439974"	721.022524	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M-2H"	-2.014552
"817296"	239.669324	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-2H"	-2.014552
"78615"	961.699124	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M-H"	-1.007276
"518531"	1443.052324	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M-H"	-1.007276
"895744"	480.345924	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-H"	-1.007276
"47202"	978.725671	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M-2H+NH4"	16.019271
"491597"	1460.078871	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M-2H+NH4"	16.019271
"868667"	497.372471	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-2H+NH4"	16.019271
"38027"	983.681066	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M-2H+Na"	20.974666
"476494"	1465.034266	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M-2H+Na"	20.974666
"851014"	502.327866	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-2H+Na"	20.974666
"1618719"	502.327866	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Na-2H"	20.974666
"94473"	498.334263	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M-H+Cl"	33.962126
"535906"	739.010863	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M-H+Cl"	33.962126
"927350"	257.657663	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-H+Cl"	33.962126
"274543"	997.675802	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+Cl"	34.969402
"660763"	1479.029002	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+Cl"	34.969402
"1273650"	516.322602	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Cl"	34.969402
"18642"	999.655006	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M-2H+K"	36.948606
"466955"	1481.008206	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M-2H+K"	36.948606
"837101"	518.301806	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-2H+K"	36.948606
"1571299"	518.301806	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+K-2H"	36.948606
"956503"	526.351394	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-H+HCOOH"	44.998194
"377102"	1007.704601	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+HCOOH-H"	44.998201
"361301"	1021.720251	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+Hac-H"	59.013851
"1508377"	540.367051	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Hac-H"	59.013851
"971691"	548.333351	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-H+NaCOOH"	66.980151
"119139"	516.322602	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+2Cl"	69.938804
"563074"	756.999202	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+2Cl"	69.938804
"1035153"	275.646002	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2Cl"	69.938804
"1251449"	560.272085	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Br"	78.918885
"1314990"	562.328072	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Cl+HCOOH"	80.974872
"1331393"	584.310029	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Cl+NaCOOH"	102.956829
"911402"	594.338786	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M-H+CF3COOH"	112.985586
"1289445"	630.315464	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Cl+CF3COOH"	148.962264
"1371859"	446.340524	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H-2H2O"	-35.012676
"1388265"	464.3505	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H-H2O"	-17.0027
"289044"	963.713676	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+H"	1.007276
"689125"	1445.066876	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+H"	1.007276
"1362923"	482.360476	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H"	1.007276
"131801"	482.360476	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+2H"	2.014552
"572456"	723.037076	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+2H"	2.014552
"1050004"	241.683876	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2H"	2.014552
"219616"	321.909409333333	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+3H"	3.021828
"659665"	482.360476	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+3H"	3.021828
"1178031"	161.458342666667	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+3H"	3.021828
"437780"	980.740223	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+NH4"	18.033823
"799867"	1462.093423	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+NH4"	18.033823
"1695831"	499.387023	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+NH4"	18.033823
"343744"	490.8737495	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+H+NH4"	19.041099
"736166"	731.5503495	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+H+NH4"	19.041099
"1490717"	250.1971495	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H+NH4"	19.041099
"396273"	985.695618	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+Na"	22.989218
"763829"	1467.048818	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+Na"	22.989218
"1608650"	504.342418	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Na"	22.989218
"317593"	493.351447	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+H+Na"	23.996494
"713294"	734.028047	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+H+Na"	23.996494
"1468207"	252.674847	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H+Na"	23.996494
"1057076"	168.785656666667	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2H+Na"	25.00377
"1262035"	514.386686	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+CH3OH+H"	33.033486
"381705"	1001.669558	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+K"	38.963158
"740511"	1483.022758	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+K"	38.963158
"1540742"	520.316358	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+K"	38.963158
"301925"	501.338417	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+H+K"	39.970434
"692890"	742.015017	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+H+K"	39.970434
"1445768"	260.661817	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H+K"	39.970434
"235756"	1004.740226	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+ACN+H"	42.033826
"1210939"	523.387026	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+ACN+H"	42.033826
"1195060"	262.197151	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+ACN+2H"	43.041102
"189510"	1007.67756	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+2Na-H"	44.97116
"628697"	1489.03076	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+2Na-H"	44.97116
"1137329"	526.32436	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2Na-H"	44.97116
"183539"	504.342418	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+2Na"	45.978436
"624190"	745.019018	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+2Na"	45.978436
"1125510"	263.665818	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2Na"	45.978436
"1403930"	176.112970666667	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H+2Na"	46.985712
"1442245"	528.365946	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H+HCOOH"	47.012746
"229753"	509.37544	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+3H2O+2H"	56.04448
"1516721"	542.41799	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+IsoProp+H"	61.06479
"419689"	512.329388	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+Na+K"	61.952376
"775580"	753.005988	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+Na+K"	61.952376
"1670817"	271.652788	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Na+K"	61.952376
"259159"	1026.722168	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+ACN+Na"	64.015768
"1228587"	545.368968	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+ACN+Na"	64.015768
"1721852"	545.392493	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+NH4+HCOOH"	64.039293
"1185021"	183.440284666667	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+3Na"	68.967654
"1654184"	550.347888	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Na+HCOOH"	68.994688
"161774"	1039.62544	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+2K-H"	76.91904
"604617"	1520.97864	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+2K-H"	76.91904
"1091317"	558.27224	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2K-H"	76.91904
"153606"	520.316358	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"2M+2K"	77.926316
"595354"	760.992958	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"3M+2K"	77.926316
"1078771"	279.639758	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2K"	77.926316
"1108702"	560.286792	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2K+H"	78.933592
"1346189"	560.374407	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+DMSO+H"	79.021207
"1021166"	564.413576	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2ACN+H"	83.060376
"1539765"	565.407208	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+IsoProp+Na+H"	84.054008
"1001477"	282.710426	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+2ACN+2H"	84.067652
"1602423"	566.321828	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+K+HCOOH"	84.968628
"1429664"	596.353338	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+H+CF3COOH"	115.000138
"1162586"	303.223701	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+3ACN+2H"	125.094202
"1712626"	613.379885	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+NH4+CF3COOH"	132.026685
"1649690"	618.33528	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+Na+CF3COOH"	136.98208
"1580436"	634.30922	"C13903"	"1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine"	"C24H52NO6P"	"481.3532"	"M+K+CF3COOH"	152.95602
"810803"	389.1751	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M"	0
"975588"	370.15671	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-H2O-H"	-19.01839
"63823"	258.442790666667	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M-3H"	-3.021828
"504113"	388.167824	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M-3H"	-3.021828
"881186"	128.717757333333	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-3H"	-3.021828
"611"	388.167824	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M-2H"	-2.014552
"440447"	582.755374	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M-2H"	-2.014552
"817198"	193.580274	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-2H"	-2.014552
"78731"	777.342924	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M-H"	-1.007276
"518890"	1166.518024	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M-H"	-1.007276
"895827"	388.167824	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-H"	-1.007276
"47348"	794.369471	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M-2H+NH4"	16.019271
"492800"	1183.544571	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M-2H+NH4"	16.019271
"869507"	405.194371	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-2H+NH4"	16.019271
"34489"	799.324866	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M-2H+Na"	20.974666
"478063"	1188.499966	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M-2H+Na"	20.974666
"850758"	410.149766	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-2H+Na"	20.974666
"1618950"	410.149766	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Na-2H"	20.974666
"95357"	406.156163	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M-H+Cl"	33.962126
"536741"	600.743713	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M-H+Cl"	33.962126
"928797"	211.568613	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-H+Cl"	33.962126
"274653"	813.319602	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+Cl"	34.969402
"663789"	1202.494702	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+Cl"	34.969402
"1274367"	424.144502	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Cl"	34.969402
"18747"	815.298806	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M-2H+K"	36.948606
"462691"	1204.473906	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M-2H+K"	36.948606
"835024"	426.123706	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-2H+K"	36.948606
"1570921"	426.123706	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+K-2H"	36.948606
"955153"	434.173294	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-H+HCOOH"	44.998194
"374097"	823.348401	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+HCOOH-H"	44.998201
"359073"	837.364051	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+Hac-H"	59.013851
"1507422"	448.188951	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Hac-H"	59.013851
"965968"	456.155251	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-H+NaCOOH"	66.980151
"114876"	424.144502	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+2Cl"	69.938804
"557717"	618.732052	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+2Cl"	69.938804
"1035992"	229.556952	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2Cl"	69.938804
"1250466"	468.093985	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Br"	78.918885
"1312913"	470.149972	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Cl+HCOOH"	80.974872
"1331503"	492.131929	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Cl+NaCOOH"	102.956829
"912839"	502.160686	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M-H+CF3COOH"	112.985586
"1290885"	538.137364	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Cl+CF3COOH"	148.962264
"1367715"	354.162424	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H-2H2O"	-35.012676
"1383022"	372.1724	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H-H2O"	-17.0027
"285874"	779.357476	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+H"	1.007276
"689600"	1168.532576	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+H"	1.007276
"1363397"	390.182376	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H"	1.007276
"130817"	390.182376	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+2H"	2.014552
"572566"	584.769926	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+2H"	2.014552
"1049020"	195.594826	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2H"	2.014552
"217650"	260.457342666667	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+3H"	3.021828
"657948"	390.182376	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+3H"	3.021828
"1177410"	130.732309333333	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+3H"	3.021828
"437885"	796.384023	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+NH4"	18.033823
"799246"	1185.559123	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+NH4"	18.033823
"1694116"	407.208923	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+NH4"	18.033823
"340208"	398.6956495	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+H+NH4"	19.041099
"731534"	593.2831995	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+H+NH4"	19.041099
"1486451"	204.1080995	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H+NH4"	19.041099
"393468"	801.339418	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+Na"	22.989218
"756285"	1190.514518	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+Na"	22.989218
"1608760"	412.164318	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Na"	22.989218
"318796"	401.173347	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+H+Na"	23.996494
"710123"	595.760897	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+H+Na"	23.996494
"1462119"	206.585797	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H+Na"	23.996494
"1054632"	138.059623333333	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2H+Na"	25.00377
"1258864"	422.208586	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+CH3OH+H"	33.033486
"377800"	817.313358	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+K"	38.963158
"740011"	1206.488458	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+K"	38.963158
"1540035"	428.138258	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+K"	38.963158
"298775"	409.160317	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+H+K"	39.970434
"691463"	603.747867	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+H+K"	39.970434
"1446005"	214.572767	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H+K"	39.970434
"236146"	820.384026	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+ACN+H"	42.033826
"1211170"	431.208926	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+ACN+H"	42.033826
"1194549"	216.108101	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+ACN+2H"	43.041102
"189052"	823.32136	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+2Na-H"	44.97116
"629006"	1212.49646	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+2Na-H"	44.97116
"1133063"	434.14626	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2Na-H"	44.97116
"180369"	412.164318	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+2Na"	45.978436
"616645"	606.751868	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+2Na"	45.978436
"1117963"	217.576768	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2Na"	45.978436
"1404769"	145.386937333333	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H+2Na"	46.985712
"1433242"	436.187846	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H+HCOOH"	47.012746
"222204"	417.19734	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+3H2O+2H"	56.04448
"1510268"	450.23989	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+IsoProp+H"	61.06479
"409591"	420.151288	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+Na+K"	61.952376
"772774"	614.738838	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+Na+K"	61.952376
"1668375"	225.563738	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Na+K"	61.952376
"254531"	842.365968	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+ACN+Na"	64.015768
"1226510"	453.190868	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+ACN+Na"	64.015768
"1716129"	453.214393	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+NH4+HCOOH"	64.039293
"1179661"	152.714251333333	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+3Na"	68.967654
"1652472"	458.169788	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Na+HCOOH"	68.994688
"157162"	855.26924	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+2K-H"	76.91904
"597798"	1244.44434	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+2K-H"	76.91904
"1084620"	466.09414	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2K-H"	76.91904
"151529"	428.138258	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"2M+2K"	77.926316
"594979"	622.725808	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"3M+2K"	77.926316
"1076694"	233.550708	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2K"	77.926316
"1108812"	468.108692	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2K+H"	78.933592
"1349458"	468.196307	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+DMSO+H"	79.021207
"1017016"	472.235476	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2ACN+H"	83.060376
"1539276"	473.229108	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+IsoProp+Na+H"	84.054008
"1002680"	236.621376	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+2ACN+2H"	84.067652
"1602550"	474.143728	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+K+HCOOH"	84.968628
"1428681"	504.175238	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+H+CF3COOH"	115.000138
"1161156"	257.134651	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+3ACN+2H"	125.094202
"1710344"	521.201785	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+NH4+CF3COOH"	132.026685
"1648177"	526.15718	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+Na+CF3COOH"	136.98208
"1580546"	542.13112	"C13906"	"Balofloxacin"	"C20H24FN3O4"	"389.1751"	"M+K+CF3COOH"	152.95602
"810913"	1134.6345	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M"	0
"975698"	1115.61611	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-H2O-H"	-19.01839
"64299"	755.415724	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M-3H"	-3.021828
"504102"	1133.627224	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M-3H"	-3.021828
"880689"	377.204224	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-3H"	-3.021828
"598"	1133.627224	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M-2H"	-2.014552
"440643"	1700.944474	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M-2H"	-2.014552
"817961"	566.309974	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-2H"	-2.014552
"79532"	2268.261724	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M-H"	-1.007276
"519455"	3402.896224	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M-H"	-1.007276
"897262"	1133.627224	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-H"	-1.007276
"48229"	2285.288271	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M-2H+NH4"	16.019271
"495097"	3419.922771	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M-2H+NH4"	16.019271
"869981"	1150.653771	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-2H+NH4"	16.019271
"33869"	2290.243666	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M-2H+Na"	20.974666
"475621"	3424.878166	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M-2H+Na"	20.974666
"849896"	1155.609166	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-2H+Na"	20.974666
"1619670"	1155.609166	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Na-2H"	20.974666
"95954"	1151.615563	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M-H+Cl"	33.962126
"536121"	1718.932813	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M-H+Cl"	33.962126
"928664"	584.298313	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-H+Cl"	33.962126
"274763"	2304.238402	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+Cl"	34.969402
"662440"	3438.872902	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+Cl"	34.969402
"1274841"	1169.603902	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Cl"	34.969402
"18494"	2306.217606	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M-2H+K"	36.948606
"459521"	3440.852106	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M-2H+K"	36.948606
"835134"	1171.583106	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-2H+K"	36.948606
"1571074"	1171.583106	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+K-2H"	36.948606
"954535"	1179.632694	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-H+HCOOH"	44.998194
"376398"	2314.267201	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+HCOOH-H"	44.998201
"359914"	2328.282851	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+Hac-H"	59.013851
"1499632"	1193.648351	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Hac-H"	59.013851
"967172"	1201.614651	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-H+NaCOOH"	66.980151
"116080"	1169.603902	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+2Cl"	69.938804
"557827"	1736.921152	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+2Cl"	69.938804
"1034644"	602.286652	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2Cl"	69.938804
"1250576"	1213.553385	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Br"	78.918885
"1313023"	1215.609372	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Cl+HCOOH"	80.974872
"1332706"	1237.591329	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Cl+NaCOOH"	102.956829
"915015"	1247.620086	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M-H+CF3COOH"	112.985586
"1291724"	1283.596764	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Cl+CF3COOH"	148.962264
"1374255"	1099.621824	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H-2H2O"	-35.012676
"1383498"	1117.6318	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H-H2O"	-17.0027
"289264"	2270.276276	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+H"	1.007276
"679498"	3404.910776	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+H"	1.007276
"1359132"	1135.641776	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H"	1.007276
"132020"	1135.641776	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+2H"	2.014552
"571583"	1702.959026	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+2H"	2.014552
"1050955"	568.324526	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2H"	2.014552
"216303"	757.430276	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+3H"	3.021828
"659274"	1135.641776	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+3H"	3.021828
"1177518"	379.218776	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+3H"	3.021828
"438968"	2287.302823	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+NH4"	18.033823
"798991"	3421.937323	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+NH4"	18.033823
"1693133"	1152.668323	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+NH4"	18.033823
"339225"	1144.1550495	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+H+NH4"	19.041099
"732738"	1711.4722995	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+H+NH4"	19.041099
"1483281"	576.8377995	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H+NH4"	19.041099
"399773"	2292.258218	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+Na"	22.989218
"756394"	3426.892718	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+Na"	22.989218
"1604497"	1157.623718	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Na"	22.989218
"318906"	1146.632747	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+H+Na"	23.996494
"708046"	1713.949997	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+H+Na"	23.996494
"1462590"	579.315497	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H+Na"	23.996494
"1054497"	386.54609	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2H+Na"	25.00377
"1261160"	1167.667986	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+CH3OH+H"	33.033486
"379369"	2308.232158	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+K"	38.963158
"740123"	3442.866658	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+K"	38.963158
"1542783"	1173.597658	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+K"	38.963158
"301050"	1154.619717	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+H+K"	39.970434
"692011"	1721.936967	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+H+K"	39.970434
"1446076"	587.302467	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H+K"	39.970434
"236013"	2311.302826	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+ACN+H"	42.033826
"1212010"	1176.668326	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+ACN+H"	42.033826
"1194585"	588.837801	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+ACN+2H"	43.041102
"189609"	2314.24016	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+2Na-H"	44.97116
"629164"	3448.87466	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+2Na-H"	44.97116
"1132809"	1179.60566	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2Na-H"	44.97116
"180479"	1157.623718	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+2Na"	45.978436
"619673"	1724.940968	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+2Na"	45.978436
"1123543"	590.306468	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2Na"	45.978436
"1405973"	393.873404	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H+2Na"	46.985712
"1433352"	1181.647246	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H+HCOOH"	47.012746
"222678"	1162.65674	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+3H2O+2H"	56.04448
"1511470"	1195.69929	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+IsoProp+H"	61.06479
"411159"	1165.610688	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+Na+K"	61.952376
"772519"	1732.927938	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+Na+K"	61.952376
"1670672"	598.293438	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Na+K"	61.952376
"254642"	2333.284768	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+ACN+Na"	64.015768
"1230631"	1198.650268	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+ACN+Na"	64.015768
"1714777"	1198.673793	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+NH4+HCOOH"	64.039293
"1179278"	401.200718	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+3Na"	68.967654
"1650870"	1203.629188	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Na+HCOOH"	68.994688
"158705"	2346.18804	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+2K-H"	76.91904
"597737"	3480.82254	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+2K-H"	76.91904
"1085812"	1211.55354	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2K-H"	76.91904
"142993"	1173.597658	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"2M+2K"	77.926316
"582027"	1740.914908	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"3M+2K"	77.926316
"1075710"	606.280408	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2K"	77.926316
"1105642"	1213.568092	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2K+H"	78.933592
"1349326"	1213.655707	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+DMSO+H"	79.021207
"1019193"	1217.694876	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2ACN+H"	83.060376
"1539590"	1218.688508	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+IsoProp+Na+H"	84.054008
"1002790"	609.351076	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+2ACN+2H"	84.067652
"1602715"	1219.603128	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+K+HCOOH"	84.968628
"1428420"	1249.634638	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+H+CF3COOH"	115.000138
"1161629"	629.864351	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+3ACN+2H"	125.094202
"1710455"	1266.661185	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+NH4+CF3COOH"	132.026685
"1648287"	1271.61658	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+Na+CF3COOH"	136.98208
"1580656"	1287.59052	"C13907"	"OM-174;Triacyl lipid A OM-174;Triacyl lipid A"	"C52H100N2O20P2"	"1134.6345"	"M+K+CF3COOH"	152.95602
"811023"	1797.2194	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M"	0
"977994"	1778.20101	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-H2O-H"	-19.01839
"63919"	1197.13899066667	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M-3H"	-3.021828
"504332"	1796.212124	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M-3H"	-3.021828
"881404"	598.065857333333	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-3H"	-3.021828
"706"	1796.212124	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M-2H"	-2.014552
"440308"	2694.821824	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M-2H"	-2.014552
"818437"	897.602424	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-2H"	-2.014552
"79437"	3593.431524	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M-H"	-1.007276
"519324"	5390.650924	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M-H"	-1.007276
"897615"	1796.212124	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-H"	-1.007276
"47614"	3610.458071	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M-2H+NH4"	16.019271
"498486"	5407.677471	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M-2H+NH4"	16.019271
"870455"	1813.238671	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-2H+NH4"	16.019271
"35072"	3615.413466	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M-2H+Na"	20.974666
"476095"	5412.632866	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M-2H+Na"	20.974666
"851343"	1818.194066	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-2H+Na"	20.974666
"1620749"	1818.194066	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Na-2H"	20.974666
"96304"	1814.200463	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M-H+Cl"	33.962126
"536960"	2712.810163	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M-H+Cl"	33.962126
"929381"	915.590763	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-H+Cl"	33.962126
"274873"	3629.408202	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+Cl"	34.969402
"661942"	5426.627602	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+Cl"	34.969402
"1275316"	1832.188802	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Cl"	34.969402
"18968"	3631.387406	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M-2H+K"	36.948606
"460724"	5428.606806	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M-2H+K"	36.948606
"833178"	1834.168006	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-2H+K"	36.948606
"1569308"	1834.168006	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+K-2H"	36.948606
"955370"	1842.217594	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-H+HCOOH"	44.998194
"375045"	3639.437001	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+HCOOH-H"	44.998201
"360677"	3653.452651	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+Hac-H"	59.013851
"1506302"	1856.233251	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Hac-H"	59.013851
"967283"	1864.199551	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-H+NaCOOH"	66.980151
"124208"	1832.188802	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+2Cl"	69.938804
"553564"	2730.798502	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+2Cl"	69.938804
"1033295"	933.579102	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2Cl"	69.938804
"1248498"	1876.138285	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Br"	78.918885
"1314226"	1878.194272	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Cl+HCOOH"	80.974872
"1328442"	1900.176229	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Cl+NaCOOH"	102.956829
"914762"	1910.204986	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M-H+CF3COOH"	112.985586
"1291106"	1946.181664	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Cl+CF3COOH"	148.962264
"1367808"	1762.206724	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H-2H2O"	-35.012676
"1383852"	1780.2167	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H-H2O"	-17.0027
"283901"	3595.446076	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+H"	1.007276
"677420"	5392.665476	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+H"	1.007276
"1359240"	1798.226676	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H"	1.007276
"134314"	1798.226676	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+2H"	2.014552
"571693"	2696.836376	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+2H"	2.014552
"1049240"	899.616976	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2H"	2.014552
"217506"	1199.15354266667	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+3H"	3.021828
"659503"	1798.226676	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+3H"	3.021828
"1178235"	600.080409333333	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+3H"	3.021828
"437011"	3612.472623	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+NH4"	18.033823
"799099"	5409.692023	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+NH4"	18.033823
"1694336"	1815.253223	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+NH4"	18.033823
"340427"	1806.7399495	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+H+NH4"	19.041099
"729567"	2705.3496495	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+H+NH4"	19.041099
"1483391"	908.1302495	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H+NH4"	19.041099
"399883"	3617.428018	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+Na"	22.989218
"756504"	5414.647418	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+Na"	22.989218
"1604728"	1820.208618	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Na"	22.989218
"317922"	1809.217647	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+H+Na"	23.996494
"709613"	2707.827347	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+H+Na"	23.996494
"1462703"	910.607947	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H+Na"	23.996494
"1054245"	607.407723333333	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2H+Na"	25.00377
"1258719"	1830.252886	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+CH3OH+H"	33.033486
"379114"	3633.401958	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+K"	38.963158
"740112"	5430.621358	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+K"	38.963158
"1542894"	1836.182558	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+K"	38.963158
"299703"	1817.204617	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+H+K"	39.970434
"692490"	2715.814317	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+H+K"	39.970434
"1447404"	918.594917	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H+K"	39.970434
"235841"	3636.472626	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+ACN+H"	42.033826
"1211999"	1839.253226	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+ACN+H"	42.033826
"1195147"	920.130251	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+ACN+2H"	43.041102
"188737"	3639.40996	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+2Na-H"	44.97116
"628636"	5436.62936	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+2Na-H"	44.97116
"1134011"	1842.19056	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2Na-H"	44.97116
"182775"	1820.208618	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+2Na"	45.978436
"615773"	2718.818318	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+2Na"	45.978436
"1123653"	921.598918	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2Na"	45.978436
"1408269"	614.735037333333	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H+2Na"	46.985712
"1433823"	1844.232146	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H+HCOOH"	47.012746
"224246"	1825.24164	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+3H2O+2H"	56.04448
"1513038"	1858.28419	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+IsoProp+H"	61.06479
"412360"	1828.195588	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+Na+K"	61.952376
"775909"	2726.805288	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+Na+K"	61.952376
"1671875"	929.585888	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Na+K"	61.952376
"254386"	3658.454568	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+ACN+Na"	64.015768
"1231106"	1861.235168	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+ACN+Na"	64.015768
"1717074"	1861.258693	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+NH4+HCOOH"	64.039293
"1179752"	622.062351333333	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+3Na"	68.967654
"1651102"	1866.214088	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Na+HCOOH"	68.994688
"158935"	3671.35784	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+2K-H"	76.91904
"598253"	5468.57724	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+2K-H"	76.91904
"1085436"	1874.13844	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2K-H"	76.91904
"142373"	1836.182558	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"2M+2K"	77.926316
"582303"	2734.792258	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"3M+2K"	77.926316
"1078006"	937.572858	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2K"	77.926316
"1107938"	1876.152992	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2K+H"	78.933592
"1349436"	1876.240607	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+DMSO+H"	79.021207
"1020276"	1880.279776	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2ACN+H"	83.060376
"1539499"	1881.273408	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+IsoProp+Na+H"	84.054008
"1001807"	940.643526	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+2ACN+2H"	84.067652
"1602666"	1882.188028	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+K+HCOOH"	84.968628
"1427437"	1912.219538	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+H+CF3COOH"	115.000138
"1161739"	961.156801	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+3ACN+2H"	125.094202
"1710201"	1929.246085	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+NH4+CF3COOH"	132.026685
"1648397"	1934.20148	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+Na+CF3COOH"	136.98208
"1580766"	1950.17542	"C13908"	"Diphosphoryl hexaacyl lipid A"	"C94H178N2O25P2"	"1797.2194"	"M+K+CF3COOH"	152.95602
"811133"	2035.4491	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M"	0
"975918"	2016.43071	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-H2O-H"	-19.01839
"63220"	1355.95879066667	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M-3H"	-3.021828
"503716"	2034.441824	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M-3H"	-3.021828
"880040"	677.475757333333	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-3H"	-3.021828
"574"	2034.441824	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M-2H"	-2.014552
"440744"	3052.166374	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M-2H"	-2.014552
"818912"	1016.717274	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-2H"	-2.014552
"79508"	4069.890924	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M-H"	-1.007276
"519558"	6105.340024	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M-H"	-1.007276
"897240"	2034.441824	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-H"	-1.007276
"48212"	4086.917471	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M-2H+NH4"	16.019271
"498596"	6122.366571	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M-2H+NH4"	16.019271
"870201"	2051.468371	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-2H+NH4"	16.019271
"34455"	4091.872866	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M-2H+Na"	20.974666
"477299"	6127.321966	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M-2H+Na"	20.974666
"850478"	2056.423766	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-2H+Na"	20.974666
"1620131"	2056.423766	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Na-2H"	20.974666
"96780"	2052.430163	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M-H+Cl"	33.962126
"537071"	3070.154713	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M-H+Cl"	33.962126
"929492"	1034.705613	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-H+Cl"	33.962126
"274983"	4105.867602	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+Cl"	34.969402
"661690"	6141.316702	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+Cl"	34.969402
"1274698"	2070.418502	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Cl"	34.969402
"17985"	4107.846806	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M-2H+K"	36.948606
"460834"	6143.295906	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M-2H+K"	36.948606
"834260"	2072.397706	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-2H+K"	36.948606
"1569418"	2072.397706	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+K-2H"	36.948606
"955480"	2080.447294	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-H+HCOOH"	44.998194
"373332"	4115.896401	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+HCOOH-H"	44.998201
"361336"	4129.912051	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+Hac-H"	59.013851
"1508283"	2094.462951	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Hac-H"	59.013851
"967392"	2102.429251	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-H+NaCOOH"	66.980151
"122495"	2070.418502	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+2Cl"	69.938804
"560231"	3088.143052	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+2Cl"	69.938804
"1032312"	1052.693952	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2Cl"	69.938804
"1246422"	2114.367985	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Br"	78.918885
"1311056"	2116.423972	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Cl+HCOOH"	80.974872
"1326365"	2138.405929	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Cl+NaCOOH"	102.956829
"912321"	2148.434686	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M-H+CF3COOH"	112.985586
"1290486"	2184.411364	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Cl+CF3COOH"	148.962264
"1367918"	2000.436424	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H-2H2O"	-35.012676
"1385419"	2018.4464	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H-H2O"	-17.0027
"283646"	4071.905476	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+H"	1.007276
"677529"	6107.354576	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+H"	1.007276
"1356068"	2036.456376	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H"	1.007276
"132237"	2036.456376	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+2H"	2.014552
"568154"	3054.180926	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+2H"	2.014552
"1043882"	1018.731826	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2H"	2.014552
"216888"	1357.97334266667	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+3H"	3.021828
"657542"	2036.456376	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+3H"	3.021828
"1172749"	679.490309333333	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+3H"	3.021828
"439183"	4088.932023	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+NH4"	18.033823
"800672"	6124.381123	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+NH4"	18.033823
"1695909"	2053.482923	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+NH4"	18.033823
"341630"	2044.9696495	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+H+NH4"	19.041099
"730770"	3062.6941995	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+H+NH4"	19.041099
"1482407"	1027.2450995	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H+NH4"	19.041099
"398534"	4093.887418	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+Na"	22.989218
"764268"	6129.336518	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+Na"	22.989218
"1605805"	2058.438318	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Na"	22.989218
"316939"	2047.447347	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+H+Na"	23.996494
"711909"	3065.171897	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+H+Na"	23.996494
"1466459"	1029.722797	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H+Na"	23.996494
"1054598"	686.817623333333	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2H+Na"	25.00377
"1258829"	2068.482586	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+CH3OH+H"	33.033486
"378860"	4109.861358	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+K"	38.963158
"739857"	6145.310458	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+K"	38.963158
"1544097"	2074.412258	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+K"	38.963158
"299446"	2055.434317	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+H+K"	39.970434
"692964"	3073.158867	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+H+K"	39.970434
"1447514"	1037.709767	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H+K"	39.970434
"236479"	4112.932026	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+ACN+H"	42.033826
"1213202"	2077.482926	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+ACN+H"	42.033826
"1195622"	1039.245101	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+ACN+2H"	43.041102
"189095"	4115.86936	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+2Na-H"	44.97116
"628577"	6151.31846	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+2Na-H"	44.97116
"1135581"	2080.42026	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2Na-H"	44.97116
"180696"	2058.438318	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+2Na"	45.978436
"618070"	3076.162868	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+2Na"	45.978436
"1123763"	1040.713768	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2Na"	45.978436
"1407286"	694.144937333333	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H+2Na"	46.985712
"1431870"	2082.461846	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H+HCOOH"	47.012746
"222169"	2063.47134	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+3H2O+2H"	56.04448
"1513513"	2096.51389	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+IsoProp+H"	61.06479
"412106"	2066.425288	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+Na+K"	61.952376
"775655"	3084.149838	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+Na+K"	61.952376
"1670891"	1048.700738	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Na+K"	61.952376
"260692"	4134.913968	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+ACN+Na"	64.015768
"1231214"	2099.464868	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+ACN+Na"	64.015768
"1716820"	2099.488393	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+NH4+HCOOH"	64.039293
"1179620"	701.472251333333	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+3Na"	68.967654
"1650484"	2104.443788	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Na+HCOOH"	68.994688
"157830"	4147.81724	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+2K-H"	76.91904
"597668"	6183.26634	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+2K-H"	76.91904
"1084817"	2112.36814	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2K-H"	76.91904
"142728"	2074.412258	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"2M+2K"	77.926316
"581465"	3092.136808	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"3M+2K"	77.926316
"1078116"	1056.687708	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2K"	77.926316
"1105862"	2114.382692	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2K+H"	78.933592
"1348816"	2114.470307	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+DMSO+H"	79.021207
"1020752"	2118.509476	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2ACN+H"	83.060376
"1539363"	2119.503108	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+IsoProp+Na+H"	84.054008
"1001917"	1059.758376	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+2ACN+2H"	84.067652
"1600795"	2120.417728	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+K+HCOOH"	84.968628
"1428276"	2150.449238	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+H+CF3COOH"	115.000138
"1162458"	1080.271651	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+3ACN+2H"	125.094202
"1710674"	2167.475785	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+NH4+CF3COOH"	132.026685
"1648508"	2172.43118	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+Na+CF3COOH"	136.98208
"1580876"	2188.40512	"C13909"	"Diphosphoryl heptaacyl lipid A"	"C110H208N2O26P2"	"2035.4491"	"M+K+CF3COOH"	152.95602
"811243"	184.1463	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M"	0
"974935"	165.12791	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-H2O-H"	-19.01839
"63533"	121.756924	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M-3H"	-3.021828
"503217"	183.139024	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M-3H"	-3.021828
"880532"	60.374824	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-3H"	-3.021828
"399"	183.139024	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M-2H"	-2.014552
"441947"	275.212174	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M-2H"	-2.014552
"820114"	91.065874	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-2H"	-2.014552
"79737"	367.285324	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M-H"	-1.007276
"520396"	551.431624	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M-H"	-1.007276
"896252"	183.139024	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-H"	-1.007276
"47385"	384.311871	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M-2H+NH4"	16.019271
"498706"	568.458171	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M-2H+NH4"	16.019271
"869947"	200.165571	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-2H+NH4"	16.019271
"34928"	389.267266	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M-2H+Na"	20.974666
"478867"	573.413566	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M-2H+Na"	20.974666
"853389"	205.120966	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-2H+Na"	20.974666
"1622192"	205.120966	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Na-2H"	20.974666
"95438"	201.127363	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M-H+Cl"	33.962126
"535360"	293.200513	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M-H+Cl"	33.962126
"928144"	109.054213	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-H+Cl"	33.962126
"269625"	403.262002	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+Cl"	34.969402
"665328"	587.408302	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+Cl"	34.969402
"1278825"	219.115702	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Cl"	34.969402
"17004"	405.241206	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M-2H+K"	36.948606
"460944"	589.387506	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M-2H+K"	36.948606
"844215"	221.094906	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-2H+K"	36.948606
"1569892"	221.094906	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+K-2H"	36.948606
"957048"	229.144494	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-H+HCOOH"	44.998194
"373442"	413.290801	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+HCOOH-H"	44.998201
"361017"	427.306451	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+Hac-H"	59.013851
"1507616"	243.160151	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Hac-H"	59.013851
"968231"	251.126451	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-H+NaCOOH"	66.980151
"117503"	219.115702	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+2Cl"	69.938804
"563988"	311.188852	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+2Cl"	69.938804
"1036191"	127.042552	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2Cl"	69.938804
"1247625"	263.065185	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Br"	78.918885
"1307887"	265.121172	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Cl+HCOOH"	80.974872
"1321373"	287.103129	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Cl+NaCOOH"	102.956829
"913890"	297.131886	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M-H+CF3COOH"	112.985586
"1288650"	333.108564	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Cl+CF3COOH"	148.962264
"1367304"	149.133624	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H-2H2O"	-35.012676
"1383340"	167.1436	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H-H2O"	-17.0027
"288500"	369.299876	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+H"	1.007276
"677640"	553.446176	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+H"	1.007276
"1355084"	185.153576	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H"	1.007276
"132347"	185.153576	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+2H"	2.014552
"573007"	277.226726	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+2H"	2.014552
"1047275"	93.080426	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2H"	2.014552
"211893"	123.771476	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+3H"	3.021828
"650359"	185.153576	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+3H"	3.021828
"1167392"	62.389376	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+3H"	3.021828
"436499"	386.326423	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+NH4"	18.033823
"799317"	570.472723	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+NH4"	18.033823
"1693460"	202.180123	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+NH4"	18.033823
"340646"	193.6668495	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+H+NH4"	19.041099
"730878"	285.7399995	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+H+NH4"	19.041099
"1480693"	101.5936995	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H+NH4"	19.041099
"396092"	391.281818	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+Na"	22.989218
"761095"	575.428118	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+Na"	22.989218
"1605186"	207.135518	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Na"	22.989218
"320326"	196.144547	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+H+Na"	23.996494
"711655"	288.217697	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+H+Na"	23.996494
"1466569"	104.071397	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H+Na"	23.996494
"1053978"	69.71669	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2H+Na"	25.00377
"1258210"	217.179786	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+CH3OH+H"	33.033486
"378971"	407.255758	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+K"	38.963158
"738537"	591.402058	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+K"	38.963158
"1541655"	223.109458	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+K"	38.963158
"298585"	204.131517	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+H+K"	39.970434
"691698"	296.204667	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+H+K"	39.970434
"1446896"	112.058367	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H+K"	39.970434
"237319"	410.326426	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+ACN+H"	42.033826
"1212217"	226.180126	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+ACN+H"	42.033826
"1194639"	113.593701	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+ACN+2H"	43.041102
"189208"	413.26376	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+2Na-H"	44.97116
"628891"	597.41006	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+2Na-H"	44.97116
"1133256"	229.11746	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2Na-H"	44.97116
"180806"	207.135518	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+2Na"	45.978436
"620367"	299.208668	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+2Na"	45.978436
"1119134"	115.062368	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2Na"	45.978436
"1405209"	77.044004	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H+2Na"	46.985712
"1430517"	231.159046	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H+HCOOH"	47.012746
"221551"	212.16854	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+3H2O+2H"	56.04448
"1511069"	245.21109	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+IsoProp+H"	61.06479
"410393"	215.122488	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+Na+K"	61.952376
"773211"	307.195638	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+Na+K"	61.952376
"1668814"	123.049338	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Na+K"	61.952376
"253875"	432.308368	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+ACN+Na"	64.015768
"1229866"	248.162068	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+ACN+Na"	64.015768
"1715106"	248.185593	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+NH4+HCOOH"	64.039293
"1178626"	84.371318	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+3Na"	68.967654
"1649887"	253.140988	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Na+HCOOH"	68.994688
"157812"	445.21164	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+2K-H"	76.91904
"598342"	629.35794	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+2K-H"	76.91904
"1086013"	261.06534	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2K-H"	76.91904
"143194"	223.109458	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"2M+2K"	77.926316
"581793"	315.182608	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"3M+2K"	77.926316
"1079321"	131.036308	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2K"	77.926316
"1109251"	263.079892	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2K+H"	78.933592
"1348926"	263.167507	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+DMSO+H"	79.021207
"1021296"	267.206676	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2ACN+H"	83.060376
"1538620"	268.200308	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+IsoProp+Na+H"	84.054008
"1000934"	134.106976	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+2ACN+2H"	84.067652
"1597623"	269.114928	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+K+HCOOH"	84.968628
"1424374"	299.146438	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+H+CF3COOH"	115.000138
"1157944"	154.620251	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+3ACN+2H"	125.094202
"1712116"	316.172985	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+NH4+CF3COOH"	132.026685
"1649223"	321.12838	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+Na+CF3COOH"	136.98208
"1580986"	337.10232	"C13910"	"Undecylenic acid;Undecenoic acid"	"C11H20O2"	"184.1463"	"M+K+CF3COOH"	152.95602
"810260"	327.3137	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M"	0
"979418"	308.29531	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-H2O-H"	-19.01839
"67656"	217.201857333333	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M-3H"	-3.021828
"506124"	326.306424	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M-3H"	-3.021828
"880401"	108.097290666667	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-3H"	-3.021828
"1404"	326.306424	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M-2H"	-2.014552
"442059"	489.963274	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M-2H"	-2.014552
"824234"	162.649574	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-2H"	-2.014552
"80941"	653.620124	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M-H"	-1.007276
"520628"	980.933824	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M-H"	-1.007276
"896606"	326.306424	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-H"	-1.007276
"47455"	670.646671	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M-2H+NH4"	16.019271
"498816"	997.960371	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M-2H+NH4"	16.019271
"870421"	343.332971	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-2H+NH4"	16.019271
"35038"	675.602066	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M-2H+Na"	20.974666
"481165"	1002.915766	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M-2H+Na"	20.974666
"853499"	348.288366	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-2H+Na"	20.974666
"1621938"	348.288366	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Na-2H"	20.974666
"97370"	344.294763	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M-H+Cl"	33.962126
"535834"	507.951613	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M-H+Cl"	33.962126
"927889"	180.637913	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-H+Cl"	33.962126
"269735"	689.596802	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+Cl"	34.969402
"666531"	1016.910502	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+Cl"	34.969402
"1278934"	362.283102	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Cl"	34.969402
"17114"	691.576006	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M-2H+K"	36.948606
"461054"	1018.889706	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M-2H+K"	36.948606
"841044"	364.262306	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-2H+K"	36.948606
"1569639"	364.262306	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+K-2H"	36.948606
"956430"	372.311894	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-H+HCOOH"	44.998194
"374281"	699.625601	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+HCOOH-H"	44.998201
"361346"	713.641251	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+Hac-H"	59.013851
"1508134"	386.327551	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Hac-H"	59.013851
"972716"	394.293851	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-H+NaCOOH"	66.980151
"115426"	362.283102	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+2Cl"	69.938804
"564586"	525.939952	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+2Cl"	69.938804
"1035814"	198.626252	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2Cl"	69.938804
"1245548"	406.232585	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Br"	78.918885
"1307996"	408.288572	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Cl+HCOOH"	80.974872
"1321118"	430.270529	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Cl+NaCOOH"	102.956829
"913636"	440.299286	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M-H+CF3COOH"	112.985586
"1289616"	476.275964	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Cl+CF3COOH"	148.962264
"1367209"	292.301024	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H-2H2O"	-35.012676
"1383453"	310.311	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H-H2O"	-17.0027
"289703"	655.634676	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+H"	1.007276
"678843"	982.948376	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+H"	1.007276
"1354100"	328.320976	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H"	1.007276
"131364"	328.320976	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+2H"	2.014552
"569832"	491.977826	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+2H"	2.014552
"1049208"	164.664126	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2H"	2.014552
"212003"	219.216409333333	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+3H"	3.021828
"649376"	328.320976	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+3H"	3.021828
"1167502"	110.111842666667	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+3H"	3.021828
"430777"	672.661223	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+NH4"	18.033823
"799063"	999.974923	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+NH4"	18.033823
"1691382"	345.347523	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+NH4"	18.033823
"338569"	336.8342495	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+H+NH4"	19.041099
"728802"	500.4910995	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+H+NH4"	19.041099
"1480803"	173.1773995	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H+NH4"	19.041099
"396931"	677.616618	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+Na"	22.989218
"761205"	1004.930318	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+Na"	22.989218
"1604203"	350.302918	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Na"	22.989218
"318249"	339.311947	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+H+Na"	23.996494
"710671"	502.968797	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+H+Na"	23.996494
"1463762"	175.655097	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H+Na"	23.996494
"1053113"	117.439156666667	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2H+Na"	25.00377
"1257590"	360.347186	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+CH3OH+H"	33.033486
"379081"	693.590558	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+K"	38.963158
"739220"	1020.904258	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+K"	38.963158
"1540103"	366.276858	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+K"	38.963158
"300753"	347.298917	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+H+K"	39.970434
"692092"	510.955767	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+H+K"	39.970434
"1445683"	183.642067	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H+K"	39.970434
"239617"	696.661226	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+ACN+H"	42.033826
"1210253"	369.347526	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+ACN+H"	42.033826
"1194543"	185.177401	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+ACN+2H"	43.041102
"188637"	699.59856	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+2Na-H"	44.97116
"628672"	1026.91226	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+2Na-H"	44.97116
"1133973"	372.28486	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2Na-H"	44.97116
"178730"	350.302918	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+2Na"	45.978436
"619748"	513.959768	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+2Na"	45.978436
"1119244"	186.646068	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2Na"	45.978436
"1405319"	124.766470666667	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H+2Na"	46.985712
"1431965"	374.326446	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H+HCOOH"	47.012746
"223119"	355.33594	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+3H2O+2H"	56.04448
"1511908"	388.37849	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+IsoProp+H"	61.06479
"411599"	358.289888	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+Na+K"	61.952376
"774415"	521.946738	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+Na+K"	61.952376
"1671113"	194.633038	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Na+K"	61.952376
"258725"	718.643168	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+ACN+Na"	64.015768
"1230706"	391.329468	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+ACN+Na"	64.015768
"1717041"	391.352993	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+NH4+HCOOH"	64.039293
"1180569"	132.093784666667	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+3Na"	68.967654
"1649992"	396.308388	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Na+HCOOH"	68.994688
"157139"	731.54644	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+2K-H"	76.91904
"597122"	1058.86014	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+2K-H"	76.91904
"1084214"	404.23274	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2K-H"	76.91904
"141969"	366.276858	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"2M+2K"	77.926316
"582032"	529.933708	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"3M+2K"	77.926316
"1079431"	202.620008	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2K"	77.926316
"1107175"	406.247292	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2K+H"	78.933592
"1346849"	406.334907	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+DMSO+H"	79.021207
"1021179"	410.374076	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2ACN+H"	83.060376
"1539502"	411.367708	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+IsoProp+Na+H"	84.054008
"1001044"	205.690676	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+2ACN+2H"	84.067652
"1596641"	412.282328	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+K+HCOOH"	84.968628
"1424485"	442.313838	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+H+CF3COOH"	115.000138
"1158054"	226.203951	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+3ACN+2H"	125.094202
"1711982"	459.340385	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+NH4+CF3COOH"	132.026685
"1649454"	464.29578	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+Na+CF3COOH"	136.98208
"1581096"	480.26972	"C13914"	"NN-Dimethylsphing-4-enine"	"C20H41NO2"	"327.3137"	"M+K+CF3COOH"	152.95602
"811464"	273.2668	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M"	0
"979529"	254.24841	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-H2O-H"	-19.01839
"64491"	181.170590666667	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M-3H"	-3.021828
"503318"	272.259524	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M-3H"	-3.021828
"884040"	90.0816573333333	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-3H"	-3.021828
"220"	272.259524	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M-2H"	-2.014552
"441074"	408.892924	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M-2H"	-2.014552
"818022"	135.626124	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-2H"	-2.014552
"79107"	545.526324	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M-H"	-1.007276
"519891"	818.793124	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M-H"	-1.007276
"897083"	272.259524	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-H"	-1.007276
"49514"	562.552871	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M-2H+NH4"	16.019271
"495646"	835.819671	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M-2H+NH4"	16.019271
"872356"	289.286071	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-2H+NH4"	16.019271
"36975"	567.508266	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M-2H+Na"	20.974666
"481639"	840.775066	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M-2H+Na"	20.974666
"853245"	294.241466	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-2H+Na"	20.974666
"1621684"	294.241466	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Na-2H"	20.974666
"95047"	290.247863	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M-H+Cl"	33.962126
"535701"	426.881263	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M-H+Cl"	33.962126
"927758"	153.614463	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-H+Cl"	33.962126
"269843"	581.503002	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+Cl"	34.969402
"665548"	854.769802	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+Cl"	34.969402
"1276858"	308.236202	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Cl"	34.969402
"18319"	583.482206	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M-2H+K"	36.948606
"458976"	856.749006	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M-2H+K"	36.948606
"835686"	310.215406	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-2H+K"	36.948606
"1570730"	310.215406	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+K-2H"	36.948606
"957635"	318.264994	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-H+HCOOH"	44.998194
"376549"	591.531801	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+HCOOH-H"	44.998201
"360592"	605.547451	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+Hac-H"	59.013851
"1506379"	332.280651	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Hac-H"	59.013851
"972462"	340.246951	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-H+NaCOOH"	66.980151
"119910"	308.236202	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+2Cl"	69.938804
"557284"	444.869602	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+2Cl"	69.938804
"1035560"	171.602802	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2Cl"	69.938804
"1246753"	352.185685	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Br"	78.918885
"1305556"	354.241672	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Cl+HCOOH"	80.974872
"1324511"	376.223629	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Cl+NaCOOH"	102.956829
"915569"	386.252386	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M-H+CF3COOH"	112.985586
"1290089"	422.229064	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Cl+CF3COOH"	148.962264
"1368616"	238.254124	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H-2H2O"	-35.012676
"1385752"	256.2641	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H-H2O"	-17.0027
"287627"	547.540876	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+H"	1.007276
"683327"	820.807676	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+H"	1.007276
"1357491"	274.274076	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H"	1.007276
"132567"	274.274076	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+2H"	2.014552
"573221"	410.907476	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+2H"	2.014552
"1039835"	137.640676	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2H"	2.014552
"208833"	183.185142666667	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+3H"	3.021828
"649486"	274.274076	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+3H"	3.021828
"1167612"	92.0962093333333	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+3H"	3.021828
"436720"	564.567423	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+NH4"	18.033823
"796256"	837.834223	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+NH4"	18.033823
"1691492"	291.300623	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+NH4"	18.033823
"338679"	282.7873495	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+H+NH4"	19.041099
"732192"	419.4207495	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+H+NH4"	19.041099
"1483830"	146.1539495	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H+NH4"	19.041099
"394490"	569.522818	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+Na"	22.989218
"760222"	842.789618	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+Na"	22.989218
"1607227"	296.256018	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Na"	22.989218
"315564"	285.265047	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+H+Na"	23.996494
"710780"	421.898447	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+H+Na"	23.996494
"1464236"	148.631647	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H+Na"	23.996494
"1056388"	99.4235233333333	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2H+Na"	25.00377
"1257696"	306.300286	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+CH3OH+H"	33.033486
"378821"	585.496758	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+K"	38.963158
"739450"	858.763558	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+K"	38.963158
"1540415"	312.229958	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+K"	38.963158
"298805"	293.252017	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+H+K"	39.970434
"693294"	429.885417	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+H+K"	39.970434
"1446261"	156.618617	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H+K"	39.970434
"237539"	588.567426	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+ACN+H"	42.033826
"1210081"	315.300626	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+ACN+H"	42.033826
"1195587"	158.153951	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+ACN+2H"	43.041102
"189180"	591.50476	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+2Na-H"	44.97116
"629107"	864.77156	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+2Na-H"	44.97116
"1132630"	318.23796	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2Na-H"	44.97116
"178840"	296.256018	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+2Na"	45.978436
"620588"	432.889418	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+2Na"	45.978436
"1121906"	159.622618	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2Na"	45.978436
"1405429"	106.750837333333	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H+2Na"	46.985712
"1432074"	320.279546	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H+HCOOH"	47.012746
"221770"	301.28904	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+3H2O+2H"	56.04448
"1511289"	334.33159	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+IsoProp+H"	61.06479
"411708"	304.242988	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+Na+K"	61.952376
"773799"	440.876388	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+Na+K"	61.952376
"1671223"	167.609588	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Na+K"	61.952376
"256648"	610.549368	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+ACN+Na"	64.015768
"1229359"	337.282568	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+ACN+Na"	64.015768
"1717515"	337.306093	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+NH4+HCOOH"	64.039293
"1180315"	114.078151333333	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+3Na"	68.967654
"1650156"	342.261488	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Na+HCOOH"	68.994688
"157183"	623.45264	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+2K-H"	76.91904
"597125"	896.71944	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+2K-H"	76.91904
"1084410"	350.18584	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2K-H"	76.91904
"142809"	312.229958	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"2M+2K"	77.926316
"581527"	448.863358	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"3M+2K"	77.926316
"1080636"	175.596558	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2K"	77.926316
"1114216"	352.200392	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2K+H"	78.933592
"1350853"	352.288007	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+DMSO+H"	79.021207
"1020594"	356.327176	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2ACN+H"	83.060376
"1537628"	357.320808	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+IsoProp+Na+H"	84.054008
"1003348"	178.667226	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+2ACN+2H"	84.067652
"1600767"	358.235428	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+K+HCOOH"	84.968628
"1426427"	388.266938	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+H+CF3COOH"	115.000138
"1161087"	199.180501	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+3ACN+2H"	125.094202
"1710276"	405.293485	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+NH4+CF3COOH"	132.026685
"1647744"	410.24888	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+Na+CF3COOH"	136.98208
"1581206"	426.22282	"C13915"	"Hexadecasphinganine"	"C16H35NO2"	"273.2668"	"M+K+CF3COOH"	152.95602
"814854"	509.4808	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M"	0
"981826"	490.46241	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-H2O-H"	-19.01839
"63506"	338.646590666667	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M-3H"	-3.021828
"505255"	508.473524	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M-3H"	-3.021828
"884150"	168.819657333333	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-3H"	-3.021828
"2722"	508.473524	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M-2H"	-2.014552
"442281"	763.213924	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M-2H"	-2.014552
"818380"	253.733124	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-2H"	-2.014552
"81894"	1017.954324	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M-H"	-1.007276
"523282"	1527.435124	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M-H"	-1.007276
"897437"	508.473524	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-H"	-1.007276
"49134"	1034.980871	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M-2H+NH4"	16.019271
"495756"	1544.461671	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M-2H+NH4"	16.019271
"871372"	525.500071	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-2H+NH4"	16.019271
"38178"	1039.936266	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M-2H+Na"	20.974666
"478833"	1549.417066	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M-2H+Na"	20.974666
"853354"	530.455466	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-2H+Na"	20.974666
"1623980"	530.455466	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Na-2H"	20.974666
"98319"	526.461863	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M-H+Cl"	33.962126
"537877"	781.202263	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M-H+Cl"	33.962126
"930303"	271.721463	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-H+Cl"	33.962126
"269953"	1053.931002	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+Cl"	34.969402
"666751"	1563.411802	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+Cl"	34.969402
"1278061"	544.450202	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Cl"	34.969402
"20616"	1055.910206	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M-2H+K"	36.948606
"457260"	1565.391006	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M-2H+K"	36.948606
"835795"	546.429406	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-2H+K"	36.948606
"1570596"	546.429406	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+K-2H"	36.948606
"958072"	554.478994	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-H+HCOOH"	44.998194
"376452"	1063.959801	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+HCOOH-H"	44.998201
"356927"	1077.975451	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+Hac-H"	59.013851
"1508112"	568.494651	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Hac-H"	59.013851
"972694"	576.460951	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-H+NaCOOH"	66.980151
"124030"	544.450202	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+2Cl"	69.938804
"558487"	799.190602	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+2Cl"	69.938804
"1036987"	289.709802	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2Cl"	69.938804
"1251236"	588.399685	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Br"	78.918885
"1307488"	590.455672	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Cl+HCOOH"	80.974872
"1321341"	612.437629	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Cl+NaCOOH"	102.956829
"914585"	622.466386	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M-H+CF3COOH"	112.985586
"1289713"	658.443064	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Cl+CF3COOH"	148.962264
"1370550"	474.468124	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H-2H2O"	-35.012676
"1388048"	492.4781	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H-H2O"	-17.0027
"294296"	1019.968876	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+H"	1.007276
"683435"	1529.449676	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+H"	1.007276
"1358698"	510.488076	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H"	1.007276
"132677"	510.488076	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+2H"	2.014552
"572238"	765.228476	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+2H"	2.014552
"1044322"	255.747676	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2H"	2.014552
"207848"	340.661142666667	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+3H"	3.021828
"649955"	510.488076	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+3H"	3.021828
"1168815"	170.834209333333	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+3H"	3.021828
"428807"	1036.995423	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+NH4"	18.033823
"791987"	1546.476223	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+NH4"	18.033823
"1688319"	527.514623	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+NH4"	18.033823
"335503"	519.0013495	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+H+NH4"	19.041099
"727926"	773.7417495	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+H+NH4"	19.041099
"1483940"	264.2609495	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H+NH4"	19.041099
"399340"	1041.950818	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+Na"	22.989218
"758147"	1551.431618	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+Na"	22.989218
"1605881"	532.470018	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Na"	22.989218
"319564"	521.479047	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+H+Na"	23.996494
"714171"	776.219447	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+H+Na"	23.996494
"1464346"	266.738647	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H+Na"	23.996494
"1058321"	178.161523333333	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2H+Na"	25.00377
"1257809"	542.514286	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+CH3OH+H"	33.033486
"377595"	1057.924758	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+K"	38.963158
"739073"	1567.405558	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+K"	38.963158
"1540645"	548.443958	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+K"	38.963158
"300617"	529.466017	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+H+K"	39.970434
"692675"	784.206417	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+H+K"	39.970434
"1446126"	274.725617	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H+K"	39.970434
"237161"	1060.995426	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+ACN+H"	42.033826
"1212181"	551.514626	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+ACN+H"	42.033826
"1197521"	276.260951	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+ACN+2H"	43.041102
"188725"	1063.93276	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+2Na-H"	44.97116
"628971"	1573.41356	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+2Na-H"	44.97116
"1133833"	554.45196	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2Na-H"	44.97116
"181136"	532.470018	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+2Na"	45.978436
"620698"	787.210418	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+2Na"	45.978436
"1125298"	277.729618	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2Na"	45.978436
"1405541"	185.488837333333	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H+2Na"	46.985712
"1434376"	556.493546	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H+HCOOH"	47.012746
"222977"	537.50304	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+3H2O+2H"	56.04448
"1515413"	570.54559	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+IsoProp+H"	61.06479
"410358"	540.456988	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+Na+K"	61.952376
"773908"	795.197388	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+Na+K"	61.952376
"1669511"	285.716588	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Na+K"	61.952376
"260040"	1082.977368	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+ACN+Na"	64.015768
"1231656"	573.496568	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+ACN+Na"	64.015768
"1718354"	573.520093	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+NH4+HCOOH"	64.039293
"1180425"	192.816151333333	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+3Na"	68.967654
"1650351"	578.475488	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Na+HCOOH"	68.994688
"157903"	1095.88064	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+2K-H"	76.91904
"597219"	1605.36144	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+2K-H"	76.91904
"1084404"	586.39984	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2K-H"	76.91904
"143767"	548.443958	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"2M+2K"	77.926316
"581758"	803.184358	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"3M+2K"	77.926316
"1083060"	293.703558	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2K"	77.926316
"1115383"	588.414392	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2K+H"	78.933592
"1348900"	588.502007	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+DMSO+H"	79.021207
"1018519"	592.541176	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2ACN+H"	83.060376
"1537739"	593.534808	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+IsoProp+Na+H"	84.054008
"1002364"	296.774226	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+2ACN+2H"	84.067652
"1599053"	594.449428	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+K+HCOOH"	84.968628
"1426901"	624.480938	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+H+CF3COOH"	115.000138
"1161077"	317.287501	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+3ACN+2H"	125.094202
"1710751"	641.507485	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+NH4+CF3COOH"	132.026685
"1647854"	646.46288	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+Na+CF3COOH"	136.98208
"1581316"	662.43682	"C13916"	"N-(Tetradecanoyl)-sphing-4-enine"	"C32H63NO3"	"509.4808"	"M+K+CF3COOH"	152.95602
"811683"	1011.9558	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M"	0
"978656"	992.93741	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-H2O-H"	-19.01839
"63978"	673.629924	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M-3H"	-3.021828
"504266"	1010.948524	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M-3H"	-3.021828
"882801"	336.311324	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-3H"	-3.021828
"2101"	1010.948524	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M-2H"	-2.014552
"441292"	1516.926424	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M-2H"	-2.014552
"819458"	504.970624	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-2H"	-2.014552
"81273"	2022.904324	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M-H"	-1.007276
"520112"	3034.860124	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M-H"	-1.007276
"897907"	1010.948524	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-H"	-1.007276
"47663"	2039.930871	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M-2H+NH4"	16.019271
"492583"	3051.886671	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M-2H+NH4"	16.019271
"873669"	1027.975071	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-2H+NH4"	16.019271
"39381"	2044.886266	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M-2H+Na"	20.974666
"478943"	3056.842066	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M-2H+Na"	20.974666
"855651"	1032.930466	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-2H+Na"	20.974666
"1624090"	1032.930466	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Na-2H"	20.974666
"97702"	1028.936863	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M-H+Cl"	33.962126
"535801"	1534.914763	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M-H+Cl"	33.962126
"930413"	522.958963	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-H+Cl"	33.962126
"271156"	2058.881002	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+Cl"	34.969402
"669047"	3070.836802	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+Cl"	34.969402
"1281450"	1046.925202	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Cl"	34.969402
"21819"	2060.860206	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M-2H+K"	36.948606
"458100"	3072.816006	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M-2H+K"	36.948606
"836998"	1048.904406	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-2H+K"	36.948606
"1570341"	1048.904406	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+K-2H"	36.948606
"958220"	1056.953994	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-H+HCOOH"	44.998194
"376685"	2068.909801	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+HCOOH-H"	44.998201
"355944"	2082.925451	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+Hac-H"	59.013851
"1506963"	1070.969651	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Hac-H"	59.013851
"972925"	1078.935951	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-H+NaCOOH"	66.980151
"123411"	1046.925202	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+2Cl"	69.938804
"555317"	1552.903102	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+2Cl"	69.938804
"1036143"	540.947302	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2Cl"	69.938804
"1250252"	1090.874685	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Br"	78.918885
"1307233"	1092.930672	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Cl+HCOOH"	80.974872
"1321449"	1114.912629	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Cl+NaCOOH"	102.956829
"914692"	1124.941386	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M-H+CF3COOH"	112.985586
"1289579"	1160.918064	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Cl+CF3COOH"	148.962264
"1369567"	976.943124	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H-2H2O"	-35.012676
"1387064"	994.9531	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H-H2O"	-17.0027
"292220"	2024.918876	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+H"	1.007276
"680265"	3036.874676	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+H"	1.007276
"1357713"	1012.963076	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H"	1.007276
"130601"	1012.963076	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+2H"	2.014552
"573442"	1518.940976	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+2H"	2.014552
"1043339"	506.985176	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2H"	2.014552
"211237"	675.644476	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+3H"	3.021828
"649703"	1012.963076	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+3H"	3.021828
"1168924"	338.325876	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+3H"	3.021828
"430010"	2041.945423	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+NH4"	18.033823
"792098"	3053.901223	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+NH4"	18.033823
"1689522"	1029.989623	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+NH4"	18.033823
"335613"	1021.4763495	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+H+NH4"	19.041099
"728036"	1527.4542495	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+H+NH4"	19.041099
"1482955"	515.4984495	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H+NH4"	19.041099
"401633"	2046.900818	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+Na"	22.989218
"760441"	3058.856618	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+Na"	22.989218
"1606350"	1034.945018	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Na"	22.989218
"316387"	1023.954047	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+H+Na"	23.996494
"709905"	1529.931947	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+H+Na"	23.996494
"1462146"	517.976147	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H+Na"	23.996494
"1053442"	345.65319	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2H+Na"	25.00377
"1257670"	1044.989286	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+CH3OH+H"	33.033486
"378312"	2062.874758	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+K"	38.963158
"739062"	3074.830558	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+K"	38.963158
"1540875"	1050.918958	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+K"	38.963158
"300727"	1031.941017	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+H+K"	39.970434
"692296"	1537.918917	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+H+K"	39.970434
"1445679"	525.963117	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H+K"	39.970434
"237395"	2065.945426	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+ACN+H"	42.033826
"1210952"	1053.989626	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+ACN+H"	42.033826
"1194590"	527.498451	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+ACN+2H"	43.041102
"189526"	2068.88276	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+2Na-H"	44.97116
"628761"	3080.83856	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+2Na-H"	44.97116
"1135764"	1056.92696	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2Na-H"	44.97116
"181246"	1034.945018	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+2Na"	45.978436
"617524"	1540.922918	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+2Na"	45.978436
"1118840"	528.967118	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2Na"	45.978436
"1405651"	352.980504	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H+2Na"	46.985712
"1437766"	1058.968546	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H+HCOOH"	47.012746
"222359"	1039.97804	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+3H2O+2H"	56.04448
"1513336"	1073.02059	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+IsoProp+H"	61.06479
"409860"	1042.931988	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+Na+K"	61.952376
"773289"	1548.909888	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+Na+K"	61.952376
"1668528"	536.954088	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Na+K"	61.952376
"260150"	2087.927368	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+ACN+Na"	64.015768
"1231766"	1075.971568	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+ACN+Na"	64.015768
"1716641"	1075.995093	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+NH4+HCOOH"	64.039293
"1179562"	360.307818	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+3Na"	68.967654
"1650181"	1080.950488	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Na+HCOOH"	68.994688
"157893"	2100.83064	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+2K-H"	76.91904
"598421"	3112.78644	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+2K-H"	76.91904
"1084961"	1088.87484	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2K-H"	76.91904
"142422"	1050.918958	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"2M+2K"	77.926316
"582348"	1556.896858	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"3M+2K"	77.926316
"1083900"	544.941058	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2K"	77.926316
"1114679"	1090.889392	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2K+H"	78.933592
"1350782"	1090.977007	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+DMSO+H"	79.021207
"1020809"	1095.016176	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2ACN+H"	83.060376
"1536026"	1096.009808	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+IsoProp+Na+H"	84.054008
"1002841"	548.011726	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+2ACN+2H"	84.067652
"1600256"	1096.924428	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+K+HCOOH"	84.968628
"1428469"	1126.955938	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+H+CF3COOH"	115.000138
"1161305"	568.525001	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+3ACN+2H"	125.094202
"1710861"	1143.982485	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+NH4+CF3COOH"	132.026685
"1647964"	1148.93788	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+Na+CF3COOH"	136.98208
"1581426"	1164.91182	"C13918"	"N-(30-(9Z12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine"	"C66H125NO5"	"1011.9558"	"M+K+CF3COOH"	152.95602
"810707"	636.4071	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M"	0
"988614"	617.38871	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-H2O-H"	-19.01839
"76860"	423.264124	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M-3H"	-3.021828
"516420"	635.399824	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M-3H"	-3.021828
"895276"	211.128424	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-3H"	-3.021828
"5146"	635.399824	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M-2H"	-2.014552
"453455"	953.603374	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M-2H"	-2.014552
"822511"	317.196274	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-2H"	-2.014552
"81409"	1271.806924	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M-H"	-1.007276
"525342"	1908.214024	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M-H"	-1.007276
"903143"	635.399824	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-H"	-1.007276
"55331"	1288.833471	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M-2H+NH4"	16.019271
"493797"	1925.240571	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M-2H+NH4"	16.019271
"867588"	652.426371	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-2H+NH4"	16.019271
"36217"	1293.788866	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M-2H+Na"	20.974666
"476872"	1930.195966	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M-2H+Na"	20.974666
"860140"	657.381766	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-2H+Na"	20.974666
"1624206"	657.381766	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Na-2H"	20.974666
"104019"	653.388163	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M-H+Cl"	33.962126
"547953"	971.591713	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M-H+Cl"	33.962126
"938927"	335.184613	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-H+Cl"	33.962126
"281858"	1307.783602	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+Cl"	34.969402
"674280"	1944.190702	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+Cl"	34.969402
"1283762"	671.376502	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Cl"	34.969402
"27781"	1309.762806	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M-2H+K"	36.948606
"468068"	1946.169906	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M-2H+K"	36.948606
"845868"	673.355706	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-2H+K"	36.948606
"1567171"	673.355706	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+K-2H"	36.948606
"952865"	681.405294	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-H+HCOOH"	44.998194
"371081"	1317.812401	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+HCOOH-H"	44.998201
"357881"	1331.828051	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+Hac-H"	59.013851
"1504891"	695.420951	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Hac-H"	59.013851
"969151"	703.387251	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-H+NaCOOH"	66.980151
"121340"	671.376502	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+2Cl"	69.938804
"560901"	989.580052	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+2Cl"	69.938804
"1035170"	353.172952	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2Cl"	69.938804
"1254386"	715.325985	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Br"	78.918885
"1318658"	717.381972	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Cl+HCOOH"	80.974872
"1329227"	739.363929	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Cl+NaCOOH"	102.956829
"920287"	749.392686	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M-H+CF3COOH"	112.985586
"1302103"	785.369364	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Cl+CF3COOH"	148.962264
"1380991"	601.394424	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H-2H2O"	-35.012676
"1395574"	619.4044	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H-H2O"	-17.0027
"297450"	1273.821476	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+H"	1.007276
"689140"	1910.228576	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+H"	1.007276
"1359655"	637.414376	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H"	1.007276
"135459"	637.414376	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+2H"	2.014552
"575384"	955.617926	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+2H"	2.014552
"1042360"	319.210826	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2H"	2.014552
"209170"	425.278676	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+3H"	3.021828
"655300"	637.414376	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+3H"	3.021828
"1170143"	213.142976	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+3H"	3.021828
"432322"	1290.848023	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+NH4"	18.033823
"787848"	1927.255123	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+NH4"	18.033823
"1686367"	654.440923	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+NH4"	18.033823
"332459"	645.9276495	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+H+NH4"	19.041099
"727068"	964.1311995	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+H+NH4"	19.041099
"1480888"	327.7240995	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H+NH4"	19.041099
"397379"	1295.803418	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+Na"	22.989218
"761657"	1932.210518	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+Na"	22.989218
"1611945"	659.396318	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Na"	22.989218
"324168"	648.405347	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+H+Na"	23.996494
"714404"	966.608897	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+H+Na"	23.996494
"1471504"	330.201797	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H+Na"	23.996494
"1057095"	220.47029	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2H+Na"	25.00377
"1262053"	669.440586	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+CH3OH+H"	33.033486
"385003"	1311.777358	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+K"	38.963158
"743810"	1948.184458	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+K"	38.963158
"1543310"	675.370258	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+K"	38.963158
"300847"	656.392317	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+H+K"	39.970434
"706044"	974.595867	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+H+K"	39.970434
"1459139"	338.188767	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H+K"	39.970434
"249196"	1314.848026	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+ACN+H"	42.033826
"1222633"	678.440926	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+ACN+H"	42.033826
"1205420"	339.724101	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+ACN+2H"	43.041102
"197197"	1317.78536	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+2Na-H"	44.97116
"638943"	1954.19246	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+2Na-H"	44.97116
"1143544"	681.37826	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2Na-H"	44.97116
"175047"	659.396318	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+2Na"	45.978436
"618740"	977.599868	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+2Na"	45.978436
"1118966"	341.192768	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2Na"	45.978436
"1405769"	227.797604	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H+2Na"	46.985712
"1434605"	683.419846	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H+HCOOH"	47.012746
"223568"	664.42934	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+3H2O+2H"	56.04448
"1512362"	697.47189	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+IsoProp+H"	61.06479
"411317"	667.383288	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+Na+K"	61.952376
"770852"	985.586838	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+Na+K"	61.952376
"1671925"	349.179738	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Na+K"	61.952376
"257350"	1336.829968	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+ACN+Na"	64.015768
"1226896"	700.422868	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+ACN+Na"	64.015768
"1725149"	700.446393	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+NH4+HCOOH"	64.039293
"1192698"	235.124918	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+3Na"	68.967654
"1661141"	705.401788	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Na+HCOOH"	68.994688
"169095"	1349.73324	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+2K-H"	76.91904
"606832"	1986.14034	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+2K-H"	76.91904
"1093530"	713.32614	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2K-H"	76.91904
"149253"	675.370258	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"2M+2K"	77.926316
"589906"	993.573808	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"3M+2K"	77.926316
"1077700"	357.166708	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2K"	77.926316
"1106536"	715.340692	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2K+H"	78.933592
"1339639"	715.428307	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+DMSO+H"	79.021207
"1010356"	719.467476	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2ACN+H"	83.060376
"1529575"	720.461108	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+IsoProp+Na+H"	84.054008
"990428"	360.237376	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+2ACN+2H"	84.067652
"1589435"	721.375728	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+K+HCOOH"	84.968628
"1418375"	751.407238	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+H+CF3COOH"	115.000138
"1155222"	380.750651	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+3ACN+2H"	125.094202
"1699306"	768.433785	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+NH4+CF3COOH"	132.026685
"1640423"	773.38918	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+Na+CF3COOH"	136.98208
"1581543"	789.36312	"C13927"	"Argiotoxin 636;Argiopin"	"C29H52N10O6"	"636.4071"	"M+K+CF3COOH"	152.95602
"817019"	659.4231	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M"	0
"987631"	640.40471	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-H2O-H"	-19.01839
"77942"	438.608124	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M-3H"	-3.021828
"517623"	658.415824	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M-3H"	-3.021828
"895463"	218.800424	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-3H"	-3.021828
"8541"	658.415824	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M-2H"	-2.014552
"450286"	988.127374	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M-2H"	-2.014552
"828821"	328.704274	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-2H"	-2.014552
"88081"	1317.838924	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M-H"	-1.007276
"527641"	1977.262024	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M-H"	-1.007276
"907629"	658.415824	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-H"	-1.007276
"60545"	1334.865471	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M-2H+NH4"	16.019271
"499374"	1994.288571	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M-2H+NH4"	16.019271
"871710"	675.442371	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-2H+NH4"	16.019271
"36329"	1339.820866	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M-2H+Na"	20.974666
"483544"	1999.243966	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M-2H+Na"	20.974666
"858064"	680.397766	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-2H+Na"	20.974666
"1627596"	680.397766	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Na-2H"	20.974666
"106321"	676.404163	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M-H+Cl"	33.962126
"546246"	1006.115713	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M-H+Cl"	33.962126
"941955"	346.692613	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-H+Cl"	33.962126
"282823"	1353.815602	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+Cl"	34.969402
"675447"	2013.238702	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+Cl"	34.969402
"1284604"	694.392502	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Cl"	34.969402
"27523"	1355.794806	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M-2H+K"	36.948606
"468178"	2015.217906	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M-2H+K"	36.948606
"844885"	696.371706	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-2H+K"	36.948606
"1569471"	696.371706	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+K-2H"	36.948606
"955528"	704.421294	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-H+HCOOH"	44.998194
"371194"	1363.844401	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+HCOOH-H"	44.998201
"355810"	1377.860051	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+Hac-H"	59.013851
"1504277"	718.436951	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Hac-H"	59.013851
"968172"	726.403251	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-H+NaCOOH"	66.980151
"122547"	694.392502	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+2Cl"	69.938804
"562838"	1024.104052	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+2Cl"	69.938804
"1034190"	364.680952	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2Cl"	69.938804
"1252310"	738.341985	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Br"	78.918885
"1315121"	740.397972	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Cl+HCOOH"	80.974872
"1330434"	762.379929	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Cl+NaCOOH"	102.956829
"923680"	772.408686	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M-H+CF3COOH"	112.985586
"1301849"	808.385364	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Cl+CF3COOH"	148.962264
"1378915"	624.410424	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H-2H2O"	-35.012676
"1394960"	642.4204	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H-H2O"	-17.0027
"297563"	1319.853476	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+H"	1.007276
"690710"	1979.276576	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+H"	1.007276
"1362684"	660.430376	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H"	1.007276
"133019"	660.430376	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+2H"	2.014552
"571486"	990.141926	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+2H"	2.014552
"1044661"	330.718826	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2H"	2.014552
"215843"	440.622676	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+3H"	3.021828
"647392"	660.430376	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+3H"	3.021828
"1170257"	220.814976	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+3H"	3.021828
"434623"	1336.880023	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+NH4"	18.033823
"799990"	1996.303123	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+NH4"	18.033823
"1694132"	677.456923	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+NH4"	18.033823
"340223"	668.9436495	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+H+NH4"	19.041099
"733739"	998.6551995	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+H+NH4"	19.041099
"1487560"	339.2320995	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H+NH4"	19.041099
"397492"	1341.835418	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+Na"	22.989218
"759580"	2001.258518	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+Na"	22.989218
"1612054"	682.412318	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Na"	22.989218
"324278"	671.421347	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+H+Na"	23.996494
"714514"	1001.132897	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+H+Na"	23.996494
"1471614"	341.709797	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H+Na"	23.996494
"1059393"	228.14229	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2H+Na"	25.00377
"1261071"	692.456586	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+CH3OH+H"	33.033486
"384020"	1357.809358	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+K"	38.963158
"740275"	2017.232458	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+K"	38.963158
"1542327"	698.386258	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+K"	38.963158
"300230"	679.408317	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+H+K"	39.970434
"703240"	1009.119867	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+H+K"	39.970434
"1453781"	349.696767	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H+K"	39.970434
"244564"	1360.880026	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+ACN+H"	42.033826
"1219459"	701.456926	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+ACN+H"	42.033826
"1200061"	351.232101	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+ACN+2H"	43.041102
"191839"	1363.81736	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+2Na-H"	44.97116
"632493"	2023.24046	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+2Na-H"	44.97116
"1135999"	704.39426	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2Na-H"	44.97116
"181478"	682.412318	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+2Na"	45.978436
"618851"	1012.123868	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+2Na"	45.978436
"1127825"	352.700768	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2Na"	45.978436
"1404059"	235.469604	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H+2Na"	46.985712
"1432164"	706.435846	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H+HCOOH"	47.012746
"223681"	687.44534	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+3H2O+2H"	56.04448
"1509920"	720.48789	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+IsoProp+H"	61.06479
"410336"	690.399288	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+Na+K"	61.952376
"776433"	1020.110838	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+Na+K"	61.952376
"1670577"	360.687738	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Na+K"	61.952376
"256732"	1382.861968	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+ACN+Na"	64.015768
"1231994"	723.438868	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+ACN+Na"	64.015768
"1720884"	723.462393	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+NH4+HCOOH"	64.039293
"1192438"	242.796918	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+3Na"	68.967654
"1662345"	728.417788	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Na+HCOOH"	68.994688
"169935"	1395.76524	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+2K-H"	76.91904
"608767"	2055.18834	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+2K-H"	76.91904
"1097650"	736.34214	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2K-H"	76.91904
"152645"	698.386258	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"2M+2K"	77.926316
"592206"	1028.097808	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"3M+2K"	77.926316
"1079996"	368.674708	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2K"	77.926316
"1109925"	738.356692	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2K+H"	78.933592
"1343030"	738.444307	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+DMSO+H"	79.021207
"1010466"	742.483476	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2ACN+H"	83.060376
"1531872"	743.477108	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+IsoProp+Na+H"	84.054008
"993947"	371.745376	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+2ACN+2H"	84.067652
"1589545"	744.391728	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+K+HCOOH"	84.968628
"1418485"	774.423238	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+H+CF3COOH"	115.000138
"1155332"	392.258651	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+3ACN+2H"	125.094202
"1702696"	791.449785	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+NH4+CF3COOH"	132.026685
"1640534"	796.40518	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+Na+CF3COOH"	136.98208
"1581653"	812.37912	"C13929"	"Argiotoxin 659"	"C31H53N11O5"	"659.4231"	"M+K+CF3COOH"	152.95602
"809834"	565.3588	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M"	0
"988471"	546.34041	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-H2O-H"	-19.01839
"71611"	375.898590666667	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M-3H"	-3.021828
"513358"	564.351524	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M-3H"	-3.021828
"894931"	187.445657333333	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-3H"	-3.021828
"7556"	564.351524	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M-2H"	-2.014552
"448209"	847.030924	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M-2H"	-2.014552
"827836"	281.672124	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-2H"	-2.014552
"84911"	1129.710324	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M-H"	-1.007276
"519125"	1695.069124	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M-H"	-1.007276
"906647"	564.351524	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-H"	-1.007276
"60291"	1146.736871	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M-2H+NH4"	16.019271
"500944"	1712.095671	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M-2H+NH4"	16.019271
"868539"	581.378071	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-2H+NH4"	16.019271
"39720"	1151.692266	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M-2H+Na"	20.974666
"483655"	1717.051066	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M-2H+Na"	20.974666
"859268"	586.333466	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-2H+Na"	20.974666
"1624426"	586.333466	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Na-2H"	20.974666
"107164"	582.339863	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M-H+Cl"	33.962126
"547451"	865.019263	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M-H+Cl"	33.962126
"940605"	299.660463	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-H+Cl"	33.962126
"282655"	1165.687002	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+Cl"	34.969402
"674136"	1731.045802	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+Cl"	34.969402
"1288079"	600.328202	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Cl"	34.969402
"29094"	1167.666206	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M-2H+K"	36.948606
"467194"	1733.025006	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M-2H+K"	36.948606
"847916"	602.307406	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-2H+K"	36.948606
"1569217"	602.307406	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+K-2H"	36.948606
"954546"	610.356994	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-H+HCOOH"	44.998194
"374587"	1175.715801	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+HCOOH-H"	44.998201
"356284"	1189.731451	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+Hac-H"	59.013851
"1501835"	624.372651	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Hac-H"	59.013851
"968282"	632.338951	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-H+NaCOOH"	66.980151
"124847"	600.328202	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+2Cl"	69.938804
"562948"	883.007602	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+2Cl"	69.938804
"1033936"	317.648802	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2Cl"	69.938804
"1251691"	644.277685	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Br"	78.918885
"1317785"	646.333672	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Cl+HCOOH"	80.974872
"1330544"	668.315629	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Cl+NaCOOH"	102.956829
"919415"	678.344386	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M-H+CF3COOH"	112.985586
"1298309"	714.321064	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Cl+CF3COOH"	148.962264
"1379387"	530.346124	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H-2H2O"	-35.012676
"1393977"	548.3561	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H-H2O"	-17.0027
"296944"	1131.724876	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+H"	1.007276
"689365"	1697.083676	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+H"	1.007276
"1365713"	566.366076	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H"	1.007276
"138598"	566.366076	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+2H"	2.014552
"579860"	849.045476	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+2H"	2.014552
"1049145"	283.686676	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2H"	2.014552
"212671"	377.913142666667	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+3H"	3.021828
"655523"	566.366076	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+3H"	3.021828
"1176926"	189.460209333333	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+3H"	3.021828
"435825"	1148.751423	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+NH4"	18.033823
"797912"	1714.110223	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+NH4"	18.033823
"1694242"	583.392623	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+NH4"	18.033823
"340333"	574.8793495	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+H+NH4"	19.041099
"733849"	857.5587495	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+H+NH4"	19.041099
"1487670"	292.1999495	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H+NH4"	19.041099
"400882"	1153.706818	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+Na"	22.989218
"759690"	1719.065618	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+Na"	22.989218
"1615444"	588.348018	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Na"	22.989218
"326575"	577.357047	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+H+Na"	23.996494
"711708"	860.036447	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+H+Na"	23.996494
"1466621"	294.677647	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H+Na"	23.996494
"1061690"	196.787523333333	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2H+Na"	25.00377
"1263368"	598.392286	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+CH3OH+H"	33.033486
"384130"	1169.680758	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+K"	38.963158
"740020"	1735.039558	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+K"	38.963158
"1542437"	604.321958	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+K"	38.963158
"299972"	585.344017	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+H+K"	39.970434
"704435"	868.023417	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+H+K"	39.970434
"1457171"	302.664617	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H+K"	39.970434
"246862"	1172.751426	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+ACN+H"	42.033826
"1219572"	607.392626	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+ACN+H"	42.033826
"1201267"	304.199951	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+ACN+2H"	43.041102
"193407"	1175.68876	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+2Na-H"	44.97116
"633697"	1741.04756	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+2Na-H"	44.97116
"1137203"	610.32996	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2Na-H"	44.97116
"182682"	588.348018	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+2Na"	45.978436
"618232"	871.027418	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+2Na"	45.978436
"1126842"	305.668618	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2Na"	45.978436
"1409272"	204.114837333333	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H+2Na"	46.985712
"1435554"	612.371546	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H+HCOOH"	47.012746
"225614"	593.38104	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+3H2O+2H"	56.04448
"1511491"	626.42359	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+IsoProp+H"	61.06479
"412999"	596.334988	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+Na+K"	61.952376
"771442"	879.014388	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+Na+K"	61.952376
"1669958"	313.655588	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Na+K"	61.952376
"255748"	1194.733368	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+ACN+Na"	64.015768
"1234290"	629.374568	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+ACN+Na"	64.015768
"1724277"	629.398093	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+NH4+HCOOH"	64.039293
"1192429"	211.442151333333	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+3Na"	68.967654
"1663548"	634.353488	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Na+HCOOH"	68.994688
"170774"	1207.63664	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+2K-H"	76.91904
"609604"	1772.99544	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+2K-H"	76.91904
"1097760"	642.27784	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2K-H"	76.91904
"152755"	604.321958	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"2M+2K"	77.926316
"593409"	887.001358	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"3M+2K"	77.926316
"1081199"	321.642558	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2K"	77.926316
"1111128"	644.292392	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2K+H"	78.933592
"1344233"	644.380007	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+DMSO+H"	79.021207
"1010576"	648.419176	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2ACN+H"	83.060376
"1528700"	649.412808	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+IsoProp+Na+H"	84.054008
"998431"	324.713226	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+2ACN+2H"	84.067652
"1590747"	650.327428	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+K+HCOOH"	84.968628
"1419688"	680.358938	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+H+CF3COOH"	115.000138
"1156536"	345.226501	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+3ACN+2H"	125.094202
"1708274"	697.385485	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+NH4+CF3COOH"	132.026685
"1647204"	702.34088	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+Na+CF3COOH"	136.98208
"1581763"	718.31482	"C13931"	"JSTX-3;Joro spider toxin"	"C27H47N7O6"	"565.3588"	"M+K+CF3COOH"	152.95602
"811037"	785.8877	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M"	0
"985665"	766.86931	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-H2O-H"	-19.01839
"71721"	522.917857333333	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M-3H"	-3.021828
"511280"	784.880424	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M-3H"	-3.021828
"887990"	260.955290666667	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-3H"	-3.021828
"9854"	784.880424	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M-2H"	-2.014552
"451237"	1177.824274	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M-2H"	-2.014552
"827946"	391.936574	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-2H"	-2.014552
"85021"	1570.768124	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M-H"	-1.007276
"522394"	2356.655824	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M-H"	-1.007276
"905664"	784.880424	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-H"	-1.007276
"59308"	1587.794671	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M-2H+NH4"	16.019271
"499596"	2373.682371	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M-2H+NH4"	16.019271
"867556"	801.906971	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-2H+NH4"	16.019271
"42017"	1592.750066	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M-2H+Na"	20.974666
"481578"	2378.637766	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M-2H+Na"	20.974666
"859378"	806.862366	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-2H+Na"	20.974666
"1622349"	806.862366	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Na-2H"	20.974666
"108367"	802.868763	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M-H+Cl"	33.962126
"545739"	1195.812613	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M-H+Cl"	33.962126
"941569"	409.924913	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-H+Cl"	33.962126
"282075"	1606.744802	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+Cl"	34.969402
"674861"	2392.632502	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+Cl"	34.969402
"1288116"	820.857102	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Cl"	34.969402
"31255"	1608.724006	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M-2H+K"	36.948606
"469130"	2394.611706	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M-2H+K"	36.948606
"847790"	822.836306	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-2H+K"	36.948606
"1567504"	822.836306	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+K-2H"	36.948606
"957211"	830.885894	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-H+HCOOH"	44.998194
"371781"	1616.773601	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+HCOOH-H"	44.998201
"358946"	1630.789251	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+Hac-H"	59.013851
"1504133"	844.901551	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Hac-H"	59.013851
"968028"	852.867851	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-H+NaCOOH"	66.980151
"124227"	820.857102	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+2Cl"	69.938804
"562330"	1213.800952	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+2Cl"	69.938804
"1035142"	427.913252	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2Cl"	69.938804
"1253260"	864.806585	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Br"	78.918885
"1318259"	866.862572	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Cl+HCOOH"	80.974872
"1333206"	888.844529	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Cl+NaCOOH"	102.956829
"925357"	898.873286	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M-H+CF3COOH"	112.985586
"1300606"	934.849964	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Cl+CF3COOH"	148.962264
"1379497"	750.875024	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H-2H2O"	-35.012676
"1394087"	768.885	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H-H2O"	-17.0027
"296690"	1572.782676	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+H"	1.007276
"690204"	2358.670376	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+H"	1.007276
"1363639"	786.894976	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H"	1.007276
"138708"	786.894976	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+2H"	2.014552
"580984"	1179.838826	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+2H"	2.014552
"1051077"	393.951126	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2H"	2.014552
"212781"	524.932409333333	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+3H"	3.021828
"650156"	786.894976	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+3H"	3.021828
"1172661"	262.969842666667	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+3H"	3.021828
"435936"	1589.809223	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+NH4"	18.033823
"795835"	2375.696923	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+NH4"	18.033823
"1694353"	803.921523	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+NH4"	18.033823
"336069"	795.4082495	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+H+NH4"	19.041099
"736146"	1188.3520995	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+H+NH4"	19.041099
"1487780"	402.4643995	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H+NH4"	19.041099
"400992"	1594.764618	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+Na"	22.989218
"759800"	2380.652318	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+Na"	22.989218
"1608990"	808.876918	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Na"	22.989218
"321218"	797.885947	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+H+Na"	23.996494
"709995"	1190.829797	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+H+Na"	23.996494
"1466731"	404.942097	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H+Na"	23.996494
"1059611"	270.297156666667	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2H+Na"	25.00377
"1258006"	818.921186	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+CH3OH+H"	33.033486
"383144"	1610.738558	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+K"	38.963158
"739638"	2396.626258	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+K"	38.963158
"1542178"	824.850858	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+K"	38.963158
"300811"	805.872917	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+H+K"	39.970434
"704546"	1198.816767	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+H+K"	39.970434
"1454001"	412.929067	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H+K"	39.970434
"246972"	1613.809226	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+ACN+H"	42.033826
"1218589"	827.921526	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+ACN+H"	42.033826
"1201377"	414.464401	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+ACN+2H"	43.041102
"194610"	1616.74656	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+2Na-H"	44.97116
"633077"	2402.63426	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+2Na-H"	44.97116
"1137313"	830.85886	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2Na-H"	44.97116
"181699"	808.876918	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+2Na"	45.978436
"621258"	1201.820768	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+2Na"	45.978436
"1124766"	415.933068	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2Na"	45.978436
"1408654"	277.624470666667	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H+2Na"	46.985712
"1440768"	832.900446	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H+HCOOH"	47.012746
"226088"	813.90994	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+3H2O+2H"	56.04448
"1514881"	846.95249	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+IsoProp+H"	61.06479
"414567"	816.863888	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+Na+K"	61.952376
"772281"	1209.807738	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+Na+K"	61.952376
"1667152"	423.920038	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Na+K"	61.952376
"255130"	1635.791168	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+ACN+Na"	64.015768
"1229297"	849.903468	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+ACN+Na"	64.015768
"1722200"	849.926993	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+NH4+HCOOH"	64.039293
"1189741"	284.951784666667	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+3Na"	68.967654
"1661832"	854.882388	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Na+HCOOH"	68.994688
"169790"	1648.69444	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+2K-H"	76.91904
"608255"	2434.58214	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+2K-H"	76.91904
"1096047"	862.80674	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2K-H"	76.91904
"152499"	824.850858	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"2M+2K"	77.926316
"592422"	1217.794708	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"3M+2K"	77.926316
"1080215"	431.907008	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2K"	77.926316
"1112697"	864.821292	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2K+H"	78.933592
"1347622"	864.908907	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+DMSO+H"	79.021207
"1010686"	868.948076	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2ACN+H"	83.060376
"1527717"	869.941708	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+IsoProp+Na+H"	84.054008
"999634"	434.977676	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+2ACN+2H"	84.067652
"1590857"	870.856328	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+K+HCOOH"	84.968628
"1419798"	900.887838	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+H+CF3COOH"	115.000138
"1156645"	455.490951	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+3ACN+2H"	125.094202
"1707290"	917.914385	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+NH4+CF3COOH"	132.026685
"1646220"	922.86978	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+Na+CF3COOH"	136.98208
"1581873"	938.84372	"C13932"	"Ruthenium red"	"H42N14O2Ru36Cl"	"785.8877"	"M+K+CF3COOH"	152.95602
"810054"	1273.8278	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M"	0
"985775"	1254.80941	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-H2O-H"	-19.01839
"71831"	848.211257333333	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M-3H"	-3.021828
"513578"	1272.820524	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M-3H"	-3.021828
"894661"	423.601990666667	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-3H"	-3.021828
"9964"	1272.820524	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M-2H"	-2.014552
"452440"	1909.734424	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M-2H"	-2.014552
"829879"	635.906624	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-2H"	-2.014552
"85131"	2546.648324	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M-H"	-1.007276
"525784"	3820.476124	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M-H"	-1.007276
"906500"	1272.820524	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-H"	-1.007276
"57958"	2563.674871	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M-2H+NH4"	16.019271
"499340"	3837.502671	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M-2H+NH4"	16.019271
"873132"	1289.847071	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-2H+NH4"	16.019271
"39940"	2568.630266	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M-2H+Na"	20.974666
"482781"	3842.458066	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M-2H+Na"	20.974666
"858395"	1294.802466	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-2H+Na"	20.974666
"1621366"	1294.802466	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Na-2H"	20.974666
"107748"	1290.808863	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M-H+Cl"	33.962126
"545849"	1927.722763	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M-H+Cl"	33.962126
"942292"	653.894963	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-H+Cl"	33.962126
"282314"	2582.625002	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+Cl"	34.969402
"675221"	3856.452802	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+Cl"	34.969402
"1287626"	1308.797202	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Cl"	34.969402
"31356"	2584.604206	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M-2H+K"	36.948606
"470586"	3858.432006	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M-2H+K"	36.948606
"847052"	1310.776406	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-2H+K"	36.948606
"1570251"	1310.776406	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+K-2H"	36.948606
"957205"	1318.825994	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-H+HCOOH"	44.998194
"372619"	2592.653801	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+HCOOH-H"	44.998201
"358327"	2606.669451	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+Hac-H"	59.013851
"1505703"	1332.841651	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Hac-H"	59.013851
"968502"	1340.807951	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-H+NaCOOH"	66.980151
"123973"	1308.797202	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+2Cl"	69.938804
"563171"	1945.711102	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+2Cl"	69.938804
"1035375"	671.883302	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2Cl"	69.938804
"1256289"	1352.746685	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Br"	78.918885
"1319675"	1354.802672	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Cl+HCOOH"	80.974872
"1334531"	1376.784629	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Cl+NaCOOH"	102.956829
"925103"	1386.813386	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M-H+CF3COOH"	112.985586
"1300716"	1422.790064	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Cl+CF3COOH"	148.962264
"1379242"	1238.815124	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H-2H2O"	-35.012676
"1396385"	1256.8251	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H-H2O"	-17.0027
"298058"	2548.662876	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+H"	1.007276
"691211"	3822.490676	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+H"	1.007276
"1366543"	1274.835076	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H"	1.007276
"138819"	1274.835076	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+2H"	2.014552
"581136"	1911.748976	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+2H"	2.014552
"1051187"	637.921176	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2H"	2.014552
"214714"	850.225809333333	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+3H"	3.021828
"652088"	1274.835076	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+3H"	3.021828
"1176780"	425.616542666667	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+3H"	3.021828
"436045"	2565.689423	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+NH4"	18.033823
"798132"	3839.517223	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+NH4"	18.033823
"1693370"	1291.861623	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+NH4"	18.033823
"336179"	1283.3483495	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+H+NH4"	19.041099
"732976"	1920.2622495	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+H+NH4"	19.041099
"1487890"	646.4344495	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H+NH4"	19.041099
"395635"	2570.644818	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+Na"	22.989218
"758816"	3844.472618	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+Na"	22.989218
"1609100"	1296.817018	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Na"	22.989218
"322421"	1285.826047	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+H+Na"	23.996494
"713747"	1922.739947	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+H+Na"	23.996494
"1467566"	648.912147	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H+Na"	23.996494
"1057533"	432.943856666667	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2H+Na"	25.00377
"1260303"	1306.861286	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+CH3OH+H"	33.033486
"378146"	2586.618758	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+K"	38.963158
"740601"	3860.446558	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+K"	38.963158
"1541558"	1312.790958	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+K"	38.963158
"300194"	1293.813017	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+H+K"	39.970434
"703562"	1930.726917	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+H+K"	39.970434
"1458484"	656.899117	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H+K"	39.970434
"248179"	2589.689426	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+ACN+H"	42.033826
"1220522"	1315.861626	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+ACN+H"	42.033826
"1205860"	658.434451	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+ACN+2H"	43.041102
"196543"	2592.62676	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+2Na-H"	44.97116
"636104"	3866.45456	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+2Na-H"	44.97116
"1138516"	1318.79896	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2Na-H"	44.97116
"185457"	1296.817018	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+2Na"	45.978436
"624285"	1933.730918	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+2Na"	45.978436
"1127427"	659.903118	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2Na"	45.978436
"1409128"	440.271170666667	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H+2Na"	46.985712
"1441244"	1320.840546	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H+HCOOH"	47.012746
"229114"	1301.85004	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+3H2O+2H"	56.04448
"1514991"	1334.89259	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+IsoProp+H"	61.06479
"413584"	1304.803988	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+Na+K"	61.952376
"775670"	1941.717888	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+Na+K"	61.952376
"1669814"	667.890088	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Na+K"	61.952376
"256698"	2611.671368	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+ACN+Na"	64.015768
"1226732"	1337.843568	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+ACN+Na"	64.015768
"1722311"	1337.867093	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+NH4+HCOOH"	64.039293
"1186571"	447.598484666667	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+3Na"	68.967654
"1659395"	1342.822488	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Na+HCOOH"	68.994688
"165894"	2624.57464	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+2K-H"	76.91904
"608368"	3898.40244	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+2K-H"	76.91904
"1096158"	1350.74684	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2K-H"	76.91904
"152248"	1312.790958	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"2M+2K"	77.926316
"589252"	1949.704858	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"3M+2K"	77.926316
"1078138"	675.877058	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2K"	77.926316
"1110986"	1352.761392	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2K+H"	78.933592
"1346639"	1352.849007	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+DMSO+H"	79.021207
"1010796"	1356.888176	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2ACN+H"	83.060376
"1527827"	1357.881808	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+IsoProp+Na+H"	84.054008
"992089"	678.947726	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+2ACN+2H"	84.067652
"1594247"	1358.796428	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+K+HCOOH"	84.968628
"1419908"	1388.827938	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+H+CF3COOH"	115.000138
"1156755"	699.461001	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+3ACN+2H"	125.094202
"1707400"	1405.854485	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+NH4+CF3COOH"	132.026685
"1646330"	1410.80988	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+Na+CF3COOH"	136.98208
"1581983"	1426.78382	"C13937"	"Cholinephosphorylmannosylneogalabiaosylceramide;PGL3a"	"C63H122N2O21P"	"1273.8278"	"M+K+CF3COOH"	152.95602
"811257"	1273.8278	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M"	0
"984791"	1254.80941	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-H2O-H"	-19.01839
"71941"	848.211257333333	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M-3H"	-3.021828
"509314"	1272.820524	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M-3H"	-3.021828
"887117"	423.601990666667	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-3H"	-3.021828
"11167"	1272.820524	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M-2H"	-2.014552
"450728"	1909.734424	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M-2H"	-2.014552
"826342"	635.906624	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-2H"	-2.014552
"85241"	2546.648324	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M-H"	-1.007276
"526988"	3820.476124	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M-H"	-1.007276
"906611"	1272.820524	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-H"	-1.007276
"54788"	2563.674871	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M-2H+NH4"	16.019271
"496534"	3837.502671	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M-2H+NH4"	16.019271
"868868"	1289.847071	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-2H+NH4"	16.019271
"36770"	2568.630266	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M-2H+Na"	20.974666
"475237"	3842.458066	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M-2H+Na"	20.974666
"856319"	1294.802466	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-2H+Na"	20.974666
"1621476"	1294.802466	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Na-2H"	20.974666
"108222"	1290.808863	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M-H+Cl"	33.962126
"548510"	1927.722763	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M-H+Cl"	33.962126
"941916"	653.894963	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-H+Cl"	33.962126
"282299"	2582.625002	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+Cl"	34.969402
"674597"	3856.452802	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+Cl"	34.969402
"1287489"	1308.797202	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Cl"	34.969402
"30976"	2584.604206	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M-2H+K"	36.948606
"470900"	3858.432006	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M-2H+K"	36.948606
"848091"	1310.776406	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-2H+K"	36.948606
"1567723"	1310.776406	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+K-2H"	36.948606
"957794"	1318.825994	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-H+HCOOH"	44.998194
"372729"	2592.653801	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+HCOOH-H"	44.998201
"358437"	2606.669451	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+Hac-H"	59.013851
"1505448"	1332.841651	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Hac-H"	59.013851
"968248"	1340.807951	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-H+NaCOOH"	66.980151
"123354"	1308.797202	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+2Cl"	69.938804
"563280"	1945.711102	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+2Cl"	69.938804
"1036577"	671.883302	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2Cl"	69.938804
"1256968"	1352.746685	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Br"	78.918885
"1319826"	1354.802672	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Cl+HCOOH"	80.974872
"1334638"	1376.784629	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Cl+NaCOOH"	102.956829
"919744"	1386.813386	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M-H+CF3COOH"	112.985586
"1300462"	1422.790064	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Cl+CF3COOH"	148.962264
"1378988"	1238.815124	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H-2H2O"	-35.012676
"1397958"	1256.8251	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H-H2O"	-17.0027
"298213"	2548.662876	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+H"	1.007276
"691241"	3822.490676	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+H"	1.007276
"1366915"	1274.835076	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H"	1.007276
"137835"	1274.835076	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+2H"	2.014552
"578489"	1911.748976	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+2H"	2.014552
"1050204"	637.921176	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2H"	2.014552
"215917"	850.225809333333	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+3H"	3.021828
"649283"	1274.835076	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+3H"	3.021828
"1177133"	425.616542666667	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+3H"	3.021828
"436885"	2565.689423	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+NH4"	18.033823
"797149"	3839.517223	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+NH4"	18.033823
"1694573"	1291.861623	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+NH4"	18.033823
"336289"	1283.3483495	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+H+NH4"	19.041099
"729806"	1920.2622495	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+H+NH4"	19.041099
"1488000"	646.4344495	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H+NH4"	19.041099
"397931"	2570.644818	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+Na"	22.989218
"758926"	3844.472618	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+Na"	22.989218
"1609210"	1296.817018	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Na"	22.989218
"321437"	1285.826047	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+H+Na"	23.996494
"709847"	1922.739947	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+H+Na"	23.996494
"1465124"	648.912147	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H+Na"	23.996494
"1059829"	432.943856666667	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2H+Na"	25.00377
"1259684"	1306.861286	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+CH3OH+H"	33.033486
"377686"	2586.618758	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+K"	38.963158
"739982"	3860.446558	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+K"	38.963158
"1540574"	1312.790958	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+K"	38.963158
"299208"	1293.813017	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+H+K"	39.970434
"692728"	1930.726917	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+H+K"	39.970434
"1459682"	656.899117	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H+K"	39.970434
"248284"	2589.689426	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+ACN+H"	42.033826
"1220996"	1315.861626	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+ACN+H"	42.033826
"1203784"	658.434451	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+ACN+2H"	43.041102
"198839"	2592.62676	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+2Na-H"	44.97116
"637307"	3866.45456	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+2Na-H"	44.97116
"1136802"	1318.79896	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2Na-H"	44.97116
"183016"	1296.817018	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+2Na"	45.978436
"624395"	1933.730918	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+2Na"	45.978436
"1128265"	659.903118	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2Na"	45.978436
"1409602"	440.271170666667	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H+2Na"	46.985712
"1441716"	1320.840546	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H+HCOOH"	47.012746
"229224"	1301.85004	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+3H2O+2H"	56.04448
"1514008"	1334.89259	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+IsoProp+H"	61.06479
"413694"	1304.803988	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+Na+K"	61.952376
"773229"	1941.717888	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+Na+K"	61.952376
"1666394"	667.890088	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Na+K"	61.952376
"255715"	2611.671368	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+ACN+Na"	64.015768
"1226721"	1337.843568	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+ACN+Na"	64.015768
"1722421"	1337.867093	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+NH4+HCOOH"	64.039293
"1187774"	447.598484666667	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+3Na"	68.967654
"1658778"	1342.822488	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Na+HCOOH"	68.994688
"166733"	2624.57464	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+2K-H"	76.91904
"608843"	3898.40244	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+2K-H"	76.91904
"1096267"	1350.74684	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2K-H"	76.91904
"153812"	1312.790958	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"2M+2K"	77.926316
"589362"	1949.704858	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"3M+2K"	77.926316
"1074968"	675.877058	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2K"	77.926316
"1111824"	1352.761392	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2K+H"	78.933592
"1347842"	1352.849007	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+DMSO+H"	79.021207
"1011999"	1356.888176	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2ACN+H"	83.060376
"1529030"	1357.881808	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+IsoProp+Na+H"	84.054008
"993292"	678.947726	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+2ACN+2H"	84.067652
"1594357"	1358.796428	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+K+HCOOH"	84.968628
"1423298"	1388.827938	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+H+CF3COOH"	115.000138
"1153585"	699.461001	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+3ACN+2H"	125.094202
"1707510"	1405.854485	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+NH4+CF3COOH"	132.026685
"1646440"	1410.80988	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+Na+CF3COOH"	136.98208
"1582093"	1426.78382	"C13938"	"Cholinephosphorylneogalatriaosylceramide;PGL3b"	"C63H122N2O21P"	"1273.8278"	"M+K+CF3COOH"	152.95602
"811367"	862.1956	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M"	0
"982713"	843.17721	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-H2O-H"	-19.01839
"69864"	573.789790666667	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M-3H"	-3.021828
"508330"	861.188324	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M-3H"	-3.021828
"888320"	286.391257333333	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-3H"	-3.021828
"11277"	861.188324	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M-2H"	-2.014552
"451930"	1292.286124	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M-2H"	-2.014552
"826452"	430.090524	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-2H"	-2.014552
"85351"	1723.383924	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M-H"	-1.007276
"526004"	2585.579524	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M-H"	-1.007276
"902711"	861.188324	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-H"	-1.007276
"48214"	1740.410471	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M-2H+NH4"	16.019271
"494457"	2602.606071	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M-2H+NH4"	16.019271
"867885"	878.214871	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-2H+NH4"	16.019271
"35785"	1745.365866	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M-2H+Na"	20.974666
"475347"	2607.561466	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M-2H+Na"	20.974666
"850960"	883.170266	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-2H+Na"	20.974666
"1619399"	883.170266	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Na-2H"	20.974666
"109303"	879.176663	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M-H+Cl"	33.962126
"547525"	1310.274463	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M-H+Cl"	33.962126
"942691"	448.078863	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-H+Cl"	33.962126
"282443"	1759.360602	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+Cl"	34.969402
"672021"	2621.556202	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+Cl"	34.969402
"1288390"	897.165002	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Cl"	34.969402
"30628"	1761.339806	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M-2H+K"	36.948606
"469824"	2623.535406	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M-2H+K"	36.948606
"847622"	899.144206	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-2H+K"	36.948606
"1570020"	899.144206	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+K-2H"	36.948606
"952434"	907.193794	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-H+HCOOH"	44.998194
"370651"	1769.389401	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+HCOOH-H"	44.998201
"356360"	1783.405051	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+Hac-H"	59.013851
"1502641"	921.209451	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Hac-H"	59.013851
"967629"	929.175751	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-H+NaCOOH"	66.980151
"120181"	897.165002	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+2Cl"	69.938804
"555005"	1328.262802	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+2Cl"	69.938804
"1031457"	466.067202	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2Cl"	69.938804
"1252129"	941.114485	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Br"	78.918885
"1314578"	943.170472	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Cl+HCOOH"	80.974872
"1325511"	965.152429	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Cl+NaCOOH"	102.956829
"916572"	975.181186	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M-H+CF3COOH"	112.985586
"1295468"	1011.157864	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Cl+CF3COOH"	148.962264
"1372535"	827.182924	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H-2H2O"	-35.012676
"1395509"	845.1929	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H-H2O"	-17.0027
"296287"	1725.398476	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+H"	1.007276
"689439"	2587.594076	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+H"	1.007276
"1365061"	863.202876	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H"	1.007276
"136853"	863.202876	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+2H"	2.014552
"576046"	1294.300676	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+2H"	2.014552
"1047399"	432.105076	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2H"	2.014552
"213112"	575.804342666667	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+3H"	3.021828
"650486"	863.202876	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+3H"	3.021828
"1170804"	288.405809333333	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+3H"	3.021828
"426423"	1742.425023	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+NH4"	18.033823
"792886"	2604.620623	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+NH4"	18.033823
"1691404"	880.229423	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+NH4"	18.033823
"335306"	871.7161495	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+H+NH4"	19.041099
"728094"	1302.8139495	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+H+NH4"	19.041099
"1480820"	440.6183495	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H+NH4"	19.041099
"395125"	1747.380418	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+Na"	22.989218
"757213"	2609.576018	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+Na"	22.989218
"1604217"	885.184818	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Na"	22.989218
"314983"	874.193847	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+H+Na"	23.996494
"707401"	1305.291647	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+H+Na"	23.996494
"1461317"	443.096047	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H+Na"	23.996494
"1053741"	295.733123333333	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2H+Na"	25.00377
"1257053"	895.229086	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+CH3OH+H"	33.033486
"377125"	1763.354358	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+K"	38.963158
"738525"	2625.549958	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+K"	38.963158
"1539952"	901.158758	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+K"	38.963158
"298599"	882.180817	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+H+K"	39.970434
"693201"	1313.278617	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+H+K"	39.970434
"1456509"	451.083017	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H+K"	39.970434
"247301"	1766.425026	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+ACN+H"	42.033826
"1218916"	904.229426	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+ACN+H"	42.033826
"1203163"	452.618351	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+ACN+2H"	43.041102
"197856"	1769.36236	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+2Na-H"	44.97116
"636324"	2631.55796	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+2Na-H"	44.97116
"1136548"	907.16676	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2Na-H"	44.97116
"180204"	885.184818	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+2Na"	45.978436
"624138"	1316.282618	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+2Na"	45.978436
"1129104"	454.087018	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2Na"	45.978436
"1410441"	303.060437333333	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H+2Na"	46.985712
"1441462"	909.208346	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H+HCOOH"	47.012746
"226417"	890.21784	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+3H2O+2H"	56.04448
"1518491"	923.26039	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+IsoProp+H"	61.06479
"413804"	893.171788	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+Na+K"	61.952376
"774798"	1324.269588	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+Na+K"	61.952376
"1666627"	462.073988	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Na+K"	61.952376
"253274"	1788.406968	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+ACN+Na"	64.015768
"1227438"	926.211368	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+ACN+Na"	64.015768
"1722531"	926.234893	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+NH4+HCOOH"	64.039293
"1183509"	310.387751333333	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+3Na"	68.967654
"1662899"	931.190288	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Na+HCOOH"	68.994688
"169759"	1801.31024	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+2K-H"	76.91904
"610049"	2663.50584	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+2K-H"	76.91904
"1098199"	939.11464	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2K-H"	76.91904
"155018"	901.158758	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"2M+2K"	77.926316
"587285"	1332.256558	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"3M+2K"	77.926316
"1078358"	470.060958	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2K"	77.926316
"1112660"	941.129192	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2K+H"	78.933592
"1347952"	941.216807	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+DMSO+H"	79.021207
"1013202"	945.255976	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2ACN+H"	83.060376
"1529140"	946.249608	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+IsoProp+Na+H"	84.054008
"994495"	473.131626	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+2ACN+2H"	84.067652
"1593373"	947.164228	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+K+HCOOH"	84.968628
"1423408"	977.195738	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+H+CF3COOH"	115.000138
"1153695"	493.644901	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+3ACN+2H"	125.094202
"1706527"	994.222285	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+NH4+CF3COOH"	132.026685
"1643270"	999.17768	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+Na+CF3COOH"	136.98208
"1582203"	1015.15162	"C13940"	"Sennoside;Sennoside AB"	"C42H38O20"	"862.1956"	"M+K+CF3COOH"	152.95602
"812570"	186.1256	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M"	0
"985738"	167.10721	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"69974"	123.076457333333	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"507346"	185.118324	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"886243"	61.0345906666667	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"12480"	185.118324	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"450947"	278.181124	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"826562"	92.055524	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"85461"	371.243924	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"525021"	557.369524	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"896135"	185.118324	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"47471"	388.270471	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"487597"	574.396071	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"867995"	202.144871	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"39179"	393.225866	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"474364"	579.351466	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"853258"	207.100266	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1619510"	207.100266	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"109590"	203.106663	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"549869"	296.169463	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"942372"	110.043863	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"282631"	407.220602	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"675419"	593.346202	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1288065"	221.095002	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"29280"	409.199806	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"468838"	595.325406	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"846639"	223.074206	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1569035"	223.074206	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"953636"	231.123794	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"368575"	417.249401	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"356834"	431.265051	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1499106"	245.139451	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"967740"	253.105751	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"118837"	221.095002	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"560950"	314.157802	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1028289"	128.032202	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1251148"	265.044485	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1311408"	267.100472	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1327812"	289.082429	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"923978"	299.111186	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1301779"	335.087864	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1379573"	151.112924	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1397680"	169.1229	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"293841"	373.258476	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"683711"	559.384076	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1362976"	187.132876	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"136964"	187.132876	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"577617"	280.195676	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1046416"	94.070076	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"213951"	125.091009333333	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"644881"	187.132876	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1173101"	63.0491426666667	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"427626"	390.285023	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"790444"	576.410623	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1689327"	204.159423	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"336509"	195.6461495	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"727475"	288.7089495	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1479107"	102.5833495	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"395234"	395.240418	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"757324"	581.366018	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1603475"	209.114818	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"314729"	198.123847	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"707510"	291.186647	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1461771"	105.061047	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1053240"	70.3764566666667	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1257587"	219.159086	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"377461"	411.214358	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"738613"	597.339958	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1540299"	225.088758	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"299418"	206.110817	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"692581"	299.173617	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1456619"	113.048017	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"247411"	414.285026	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1217933"	228.159426	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1202908"	114.583351	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"196144"	417.22236	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"636798"	603.34796	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1133742"	231.09676	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"180314"	209.114818	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"623884"	302.177618	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1127391"	116.052018	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1411645"	77.7037706666667	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1440843"	233.138346	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"226163"	214.14784	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1517509"	247.19039	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"419381"	217.101788	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"775272"	310.164588	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1667592"	124.038988	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"251758"	436.266968	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1228643"	250.141368	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1720454"	250.164893	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1183619"	85.0310846666667	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1663369"	255.120288	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"170596"	449.17024	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"610519"	635.29584	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1098918"	263.04464	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"155129"	225.088758	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"590676"	318.151558	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1077376"	132.025958	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1107305"	265.059192	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1341502"	265.146807	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1012218"	269.185976	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1529250"	270.179608	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"993512"	135.096626	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1590201"	271.094228	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1423518"	301.125738	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1157087"	155.609901	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1702264"	318.152285	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1644474"	323.10768	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1582313"	339.08162	"C13945"	"2-Oxodecanoic acid;2-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"810497"	284.2351	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M"	0
"981843"	265.21671	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H2O-H"	-19.01839
"63604"	188.482790666667	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-3H"	-3.021828
"507458"	283.227824	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-3H"	-3.021828
"888540"	93.7377573333333	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-3H"	-3.021828
"12590"	283.227824	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H"	-2.014552
"448871"	425.345374	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H"	-2.014552
"827766"	141.110274	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H"	-2.014552
"88852"	567.462924	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-H"	-1.007276
"522945"	851.698024	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-H"	-1.007276
"897830"	283.227824	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H"	-1.007276
"47580"	584.489471	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H+NH4"	16.019271
"488846"	868.724571	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H+NH4"	16.019271
"870292"	300.254371	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H+NH4"	16.019271
"39289"	589.444866	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H+Na"	20.974666
"475567"	873.679966	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H+Na"	20.974666
"851182"	305.209766	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H+Na"	20.974666
"1619620"	305.209766	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na-2H"	20.974666
"109491"	301.216163	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-H+Cl"	33.962126
"549334"	443.333713	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-H+Cl"	33.962126
"942529"	159.098613	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+Cl"	33.962126
"282582"	603.439602	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Cl"	34.969402
"675329"	887.674702	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+Cl"	34.969402
"1288052"	319.204502	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl"	34.969402
"28295"	605.418806	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M-2H+K"	36.948606
"470287"	889.653906	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M-2H+K"	36.948606
"845657"	321.183706	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-2H+K"	36.948606
"1568053"	321.183706	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K-2H"	36.948606
"950468"	329.233294	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+HCOOH"	44.998194
"372333"	613.468401	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+HCOOH-H"	44.998201
"356580"	627.484051	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Hac-H"	59.013851
"1500309"	343.248951	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Hac-H"	59.013851
"966757"	351.215251	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+NaCOOH"	66.980151
"118947"	319.204502	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2Cl"	69.938804
"554134"	461.322052	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2Cl"	69.938804
"1030586"	177.086952	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2Cl"	69.938804
"1252717"	363.153985	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Br"	78.918885
"1314798"	365.209972	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl+HCOOH"	80.974872
"1327922"	387.191929	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl+NaCOOH"	102.956829
"920077"	397.220686	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M-H+CF3COOH"	112.985586
"1297878"	433.197364	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Cl+CF3COOH"	148.962264
"1379318"	249.222424	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H-2H2O"	-35.012676
"1394267"	267.2324	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H-H2O"	-17.0027
"291035"	569.477476	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H"	1.007276
"684549"	853.712576	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H"	1.007276
"1363814"	285.242376	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H"	1.007276
"141049"	285.242376	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2H"	2.014552
"577727"	427.359926	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2H"	2.014552
"1048349"	143.124826	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2H"	2.014552
"215519"	190.497342666667	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+3H"	3.021828
"646452"	285.242376	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+3H"	3.021828
"1174303"	95.7523093333333	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+3H"	3.021828
"438673"	586.504023	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+NH4"	18.033823
"800276"	870.739123	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+NH4"	18.033823
"1693809"	302.268923	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+NH4"	18.033823
"342816"	293.7556495	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H+NH4"	19.041099
"731230"	435.8731995	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H+NH4"	19.041099
"1481041"	151.6380995	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+NH4"	19.041099
"394251"	591.459418	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Na"	22.989218
"760350"	875.694518	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+Na"	22.989218
"1608446"	307.224318	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na"	22.989218
"318120"	296.233347	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H+Na"	23.996494
"711270"	438.350897	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H+Na"	23.996494
"1462169"	154.115797	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+Na"	23.996494
"1054690"	103.079623333333	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2H+Na"	25.00377
"1257942"	317.268586	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+CH3OH+H"	33.033486
"379682"	607.433358	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+K"	38.963158
"740676"	891.668458	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+K"	38.963158
"1540656"	323.198258	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K"	38.963158
"300999"	304.220317	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+H+K"	39.970434
"691721"	446.337867	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+H+K"	39.970434
"1456729"	162.102767	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+K"	39.970434
"245331"	610.504026	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+ACN+H"	42.033826
"1215853"	326.268926	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+ACN+H"	42.033826
"1196088"	163.638101	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+ACN+2H"	43.041102
"192607"	613.44136	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2Na-H"	44.97116
"633259"	897.67646	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2Na-H"	44.97116
"1131702"	329.20626	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2Na-H"	44.97116
"178962"	307.224318	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2Na"	45.978436
"613021"	449.341868	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2Na"	45.978436
"1125315"	165.106768	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2Na"	45.978436
"1411392"	110.406937333333	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+2Na"	46.985712
"1438768"	331.247846	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+HCOOH"	47.012746
"232473"	312.25734	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+3H2O+2H"	56.04448
"1522479"	345.29989	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+IsoProp+H"	61.06479
"420585"	315.211288	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+Na+K"	61.952376
"777207"	457.328838	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+Na+K"	61.952376
"1666610"	173.093738	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na+K"	61.952376
"251420"	632.485968	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+ACN+Na"	64.015768
"1226565"	348.250868	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+ACN+Na"	64.015768
"1719470"	348.274393	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+NH4+HCOOH"	64.039293
"1183728"	117.734251333333	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+3Na"	68.967654
"1662752"	353.229788	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na+HCOOH"	68.994688
"168519"	645.38924	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2K-H"	76.91904
"609170"	929.62434	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2K-H"	76.91904
"1096232"	361.15414	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2K-H"	76.91904
"151956"	323.198258	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"2M+2K"	77.926316
"592974"	465.315808	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"3M+2K"	77.926316
"1079310"	181.080708	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2K"	77.926316
"1101948"	363.168692	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2K+H"	78.933592
"1340518"	363.256307	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+DMSO+H"	79.021207
"1012328"	367.295476	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2ACN+H"	83.060376
"1524375"	368.289108	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+IsoProp+Na+H"	84.054008
"992527"	184.151376	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+2ACN+2H"	84.067652
"1588124"	369.203728	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K+HCOOH"	84.968628
"1415972"	399.235238	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+H+CF3COOH"	115.000138
"1153913"	204.664651	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+3ACN+2H"	125.094202
"1702374"	416.261785	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+NH4+CF3COOH"	132.026685
"1641304"	421.21718	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+Na+CF3COOH"	136.98208
"1582423"	437.19112	"C13946"	"2-Methoxy-6Z-hexadecenoic acid;2-Methoxy-6Z-hexadecenoate;(6Z)-2-Methoxyhexadecenoic acid"	"C17H32O3"	"284.2351"	"M+K+CF3COOH"	152.95602
"812790"	286.2508	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M"	0
"985233"	267.23241	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-H2O-H"	-19.01839
"68009"	189.826590666667	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M-3H"	-3.021828
"509754"	285.243524	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M-3H"	-3.021828
"890836"	94.4096573333333	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-3H"	-3.021828
"5047"	285.243524	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M-2H"	-2.014552
"454328"	428.368924	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M-2H"	-2.014552
"827876"	142.118124	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-2H"	-2.014552
"91515"	571.494324	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M-H"	-1.007276
"525242"	857.745124	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M-H"	-1.007276
"900856"	285.243524	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-H"	-1.007276
"51948"	588.520871	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M-2H+NH4"	16.019271
"488592"	874.771671	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M-2H+NH4"	16.019271
"868215"	302.270071	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-2H+NH4"	16.019271
"38305"	593.476266	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M-2H+Na"	20.974666
"475677"	879.727066	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M-2H+Na"	20.974666
"848936"	307.225466	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-2H+Na"	20.974666
"1620091"	307.225466	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Na-2H"	20.974666
"109152"	303.231863	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M-H+Cl"	33.962126
"548711"	446.357263	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M-H+Cl"	33.962126
"940649"	160.106463	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-H+Cl"	33.962126
"281759"	607.471002	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+Cl"	34.969402
"673445"	893.721802	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+Cl"	34.969402
"1288167"	321.220202	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Cl"	34.969402
"29499"	609.450206	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M-2H+K"	36.948606
"467965"	895.701006	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M-2H+K"	36.948606
"846860"	323.199406	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-2H+K"	36.948606
"1568527"	323.199406	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+K-2H"	36.948606
"953857"	331.248994	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-H+HCOOH"	44.998194
"372077"	617.499801	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+HCOOH-H"	44.998201
"357053"	631.515451	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+Hac-H"	59.013851
"1497137"	345.264651	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Hac-H"	59.013851
"965772"	353.230951	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-H+NaCOOH"	66.980151
"118693"	321.220202	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+2Cl"	69.938804
"554244"	464.345602	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+2Cl"	69.938804
"1028509"	178.094802	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2Cl"	69.938804
"1248087"	365.169685	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Br"	78.918885
"1311628"	367.225672	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Cl+HCOOH"	80.974872
"1325845"	389.207629	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Cl+NaCOOH"	102.956829
"920183"	399.236386	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M-H+CF3COOH"	112.985586
"1299082"	435.213064	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Cl+CF3COOH"	148.962264
"1377241"	251.238124	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H-2H2O"	-35.012676
"1393647"	269.2481	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H-H2O"	-17.0027
"291145"	573.508876	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+H"	1.007276
"684659"	859.759676	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+H"	1.007276
"1363924"	287.258076	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H"	1.007276
"140953"	287.258076	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+2H"	2.014552
"577837"	430.383476	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+2H"	2.014552
"1049552"	144.132676	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2H"	2.014552
"215265"	191.841142666667	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+3H"	3.021828
"647899"	287.258076	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+3H"	3.021828
"1176599"	96.4242093333334	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+3H"	3.021828
"432215"	590.535423	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+NH4"	18.033823
"794303"	876.786223	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+NH4"	18.033823
"1692822"	304.284623	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+NH4"	18.033823
"342193"	295.7713495	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+H+NH4"	19.041099
"731335"	438.8967495	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+H+NH4"	19.041099
"1482973"	152.6459495	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H+NH4"	19.041099
"395818"	595.490818	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+Na"	22.989218
"760460"	881.741618	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+Na"	22.989218
"1608920"	309.240018	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Na"	22.989218
"317502"	298.249047	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+H+Na"	23.996494
"709558"	441.374447	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+H+Na"	23.996494
"1462522"	155.123647	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H+Na"	23.996494
"1054436"	103.751523333333	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2H+Na"	25.00377
"1259752"	319.284286	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+CH3OH+H"	33.033486
"379428"	611.464758	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+K"	38.963158
"739329"	897.715558	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+K"	38.963158
"1540652"	325.213958	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+K"	38.963158
"301110"	306.236017	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+H+K"	39.970434
"692440"	449.361417	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+H+K"	39.970434
"1456475"	163.110617	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H+K"	39.970434
"244348"	614.535426	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+ACN+H"	42.033826
"1215963"	328.284626	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+ACN+H"	42.033826
"1195226"	164.645951	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+ACN+2H"	43.041102
"192717"	617.47276	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+2Na-H"	44.97116
"633369"	903.72356	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+2Na-H"	44.97116
"1133597"	331.22196	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2Na-H"	44.97116
"175792"	309.240018	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+2Na"	45.978436
"614013"	452.365418	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+2Na"	45.978436
"1125425"	166.114618	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2Na"	45.978436
"1411504"	111.078837333333	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H+2Na"	46.985712
"1442889"	333.263546	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H+HCOOH"	47.012746
"232584"	314.27304	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+3H2O+2H"	56.04448
"1518821"	347.31559	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+IsoProp+H"	61.06479
"416320"	317.226988	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+Na+K"	61.952376
"776223"	460.352388	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+Na+K"	61.952376
"1669272"	174.101588	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Na+K"	61.952376
"252019"	636.517368	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+ACN+Na"	64.015768
"1226675"	350.266568	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+ACN+Na"	64.015768
"1721766"	350.290093	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+NH4+HCOOH"	64.039293
"1183838"	118.406151333333	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+3Na"	68.967654
"1662861"	355.245488	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Na+HCOOH"	68.994688
"170816"	649.42064	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+2K-H"	76.91904
"610373"	935.67144	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+2K-H"	76.91904
"1098530"	363.16984	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2K-H"	76.91904
"152066"	325.213958	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"2M+2K"	77.926316
"593085"	468.339358	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"3M+2K"	77.926316
"1074316"	182.088558	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2K"	77.926316
"1103515"	365.184392	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2K+H"	78.933592
"1340629"	365.272007	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+DMSO+H"	79.021207
"1013532"	369.311176	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2ACN+H"	83.060376
"1524973"	370.304808	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+IsoProp+Na+H"	84.054008
"992638"	185.159226	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+2ACN+2H"	84.067652
"1589328"	371.219428	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+K+HCOOH"	84.968628
"1416446"	401.250938	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+H+CF3COOH"	115.000138
"1151837"	205.672501	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+3ACN+2H"	125.094202
"1702484"	418.277485	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+NH4+CF3COOH"	132.026685
"1641414"	423.23288	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+Na+CF3COOH"	136.98208
"1582533"	439.20682	"C13947"	"2-Methoxyhexadecanoic acid;2-Methoxyhexadecanoate"	"C17H34O3"	"286.2508"	"M+K+CF3COOH"	152.95602
"813997"	274.2308	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M"	0
"986437"	255.21241	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-H2O-H"	-19.01839
"72493"	181.813257333333	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M-3H"	-3.021828
"506586"	273.223524	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M-3H"	-3.021828
"884387"	90.4029906666667	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-3H"	-3.021828
"13541"	273.223524	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M-2H"	-2.014552
"454195"	410.338924	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M-2H"	-2.014552
"826893"	136.108124	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-2H"	-2.014552
"85792"	547.454324	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M-H"	-1.007276
"531550"	821.685124	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M-H"	-1.007276
"904247"	273.223524	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-H"	-1.007276
"53154"	564.480871	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M-2H+NH4"	16.019271
"493807"	838.711671	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M-2H+NH4"	16.019271
"871608"	290.250071	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-2H+NH4"	16.019271
"43885"	569.436266	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M-2H+Na"	20.974666
"481256"	843.667066	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M-2H+Na"	20.974666
"853590"	295.205466	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-2H+Na"	20.974666
"1624218"	295.205466	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Na-2H"	20.974666
"109837"	291.211863	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M-H+Cl"	33.962126
"549306"	428.327263	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M-H+Cl"	33.962126
"941364"	154.096463	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-H+Cl"	33.962126
"280039"	583.431002	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+Cl"	34.969402
"675558"	857.661802	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+Cl"	34.969402
"1288263"	309.200202	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Cl"	34.969402
"26328"	585.410206	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M-2H+K"	36.948606
"466982"	859.641006	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M-2H+K"	36.948606
"845877"	311.179406	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-2H+K"	36.948606
"1566085"	311.179406	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+K-2H"	36.948606
"951780"	319.228994	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-H+HCOOH"	44.998194
"369998"	593.459801	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+HCOOH-H"	44.998201
"358256"	607.475451	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+Hac-H"	59.013851
"1499435"	333.244651	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Hac-H"	59.013851
"963696"	341.210951	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-H+NaCOOH"	66.980151
"118073"	309.200202	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+2Cl"	69.938804
"555448"	446.315602	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+2Cl"	69.938804
"1027526"	172.084802	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2Cl"	69.938804
"1251478"	353.149685	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Br"	78.918885
"1315018"	355.205672	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Cl+HCOOH"	80.974872
"1325955"	377.187629	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Cl+NaCOOH"	102.956829
"923573"	387.216386	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M-H+CF3COOH"	112.985586
"1297005"	423.193064	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Cl+CF3COOH"	148.962264
"1377351"	239.218124	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H-2H2O"	-35.012676
"1390476"	257.2281	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H-H2O"	-17.0027
"291255"	549.468876	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+H"	1.007276
"687687"	823.699676	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+H"	1.007276
"1357838"	275.238076	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H"	1.007276
"135108"	275.238076	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+2H"	2.014552
"580948"	412.353476	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+2H"	2.014552
"1050029"	138.122676	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2H"	2.014552
"215742"	183.827809333333	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+3H"	3.021828
"654210"	275.238076	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+3H"	3.021828
"1175615"	92.4175426666667	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+3H"	3.021828
"433419"	566.495423	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+NH4"	18.033823
"799154"	840.726223	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+NH4"	18.033823
"1692932"	292.264623	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+NH4"	18.033823
"343396"	283.7513495	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+H+NH4"	19.041099
"731443"	420.8667495	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+H+NH4"	19.041099
"1481988"	146.6359495	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H+NH4"	19.041099
"399575"	571.450818	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+Na"	22.989218
"764944"	845.681618	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+Na"	22.989218
"1608670"	297.220018	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Na"	22.989218
"319799"	286.229047	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+H+Na"	23.996494
"712221"	423.344447	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+H+Na"	23.996494
"1463853"	149.113647	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H+Na"	23.996494
"1056005"	99.7448566666666	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2H+Na"	25.00377
"1257924"	307.264286	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+CH3OH+H"	33.033486
"379539"	587.424758	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+K"	38.963158
"742721"	861.655558	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+K"	38.963158
"1541860"	313.193958	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+K"	38.963158
"304135"	294.216017	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+H+K"	39.970434
"695465"	431.331417	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+H+K"	39.970434
"1453671"	157.100617	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H+K"	39.970434
"243365"	590.495426	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+ACN+H"	42.033826
"1220449"	316.264626	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+ACN+H"	42.033826
"1203239"	158.635951	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+ACN+2H"	43.041102
"195014"	593.43276	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+2Na-H"	44.97116
"640044"	867.66356	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+2Na-H"	44.97116
"1139174"	319.20196	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2Na-H"	44.97116
"179182"	297.220018	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+2Na"	45.978436
"618743"	434.335418	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+2Na"	45.978436
"1125535"	160.104618	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2Na"	45.978436
"1413804"	107.072170666667	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H+2Na"	46.985712
"1445235"	321.243546	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H+HCOOH"	47.012746
"234517"	302.25304	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+3H2O+2H"	56.04448
"1518931"	335.29559	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+IsoProp+H"	61.06479
"416430"	305.206988	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+Na+K"	61.952376
"777427"	442.322388	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+Na+K"	61.952376
"1670475"	168.091588	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Na+K"	61.952376
"255896"	612.477368	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+ACN+Na"	64.015768
"1230063"	338.246568	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+ACN+Na"	64.015768
"1718596"	338.270093	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+NH4+HCOOH"	64.039293
"1182855"	114.399484666667	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+3Na"	68.967654
"1662607"	343.225488	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Na+HCOOH"	68.994688
"168005"	625.38064	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+2K-H"	76.91904
"607570"	899.61144	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+2K-H"	76.91904
"1096820"	351.14984	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2K-H"	76.91904
"154365"	313.193958	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"2M+2K"	77.926316
"594289"	450.309358	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"3M+2K"	77.926316
"1075520"	176.078558	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2K"	77.926316
"1104355"	353.164392	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2K+H"	78.933592
"1345113"	353.252007	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+DMSO+H"	79.021207
"1012548"	357.291176	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2ACN+H"	83.060376
"1530673"	358.284808	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+IsoProp+Na+H"	84.054008
"993844"	179.149226	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+2ACN+2H"	84.067652
"1588467"	359.199428	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+K+HCOOH"	84.968628
"1417288"	389.230938	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+H+CF3COOH"	115.000138
"1153044"	199.662501	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+3ACN+2H"	125.094202
"1701501"	406.257485	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+NH4+CF3COOH"	132.026685
"1644807"	411.21288	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+Na+CF3COOH"	136.98208
"1582643"	427.18682	"C13948"	"16-Fluorohexadecanoic acid;16-Fluoropalmitic acid"	"C16H31FO2"	"274.2308"	"M+K+CF3COOH"	152.95602
"813010"	306.1962	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M"	0
"985455"	287.17781	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-H2O-H"	-19.01839
"70417"	203.123524	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M-3H"	-3.021828
"506696"	305.188924	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M-3H"	-3.021828
"884497"	101.058124	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-3H"	-3.021828
"14748"	305.188924	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M-2H"	-2.014552
"453941"	458.287024	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M-2H"	-2.014552
"827002"	152.090824	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-2H"	-2.014552
"85902"	611.385124	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M-H"	-1.007276
"524368"	917.581324	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M-H"	-1.007276
"901077"	305.188924	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-H"	-1.007276
"53264"	628.411671	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M-2H+NH4"	16.019271
"491730"	934.607871	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M-2H+NH4"	16.019271
"871718"	322.215471	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-2H+NH4"	16.019271
"45088"	633.367066	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M-2H+Na"	20.974666
"481366"	939.563266	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M-2H+Na"	20.974666
"853700"	327.170866	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-2H+Na"	20.974666
"1625421"	327.170866	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Na-2H"	20.974666
"109371"	323.177263	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M-H+Cl"	33.962126
"549052"	476.275363	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M-H+Cl"	33.962126
"939407"	170.079163	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-H+Cl"	33.962126
"280149"	647.361802	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+Cl"	34.969402
"675613"	953.558002	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+Cl"	34.969402
"1288340"	341.165602	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Cl"	34.969402
"28625"	649.341006	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M-2H+K"	36.948606
"464905"	955.537206	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M-2H+K"	36.948606
"847810"	343.144806	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-2H+K"	36.948606
"1566195"	343.144806	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+K-2H"	36.948606
"950797"	351.194394	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-H+HCOOH"	44.998194
"370108"	657.390601	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+HCOOH-H"	44.998201
"357273"	671.406251	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+Hac-H"	59.013851
"1501732"	365.210051	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Hac-H"	59.013851
"963806"	373.176351	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-H+NaCOOH"	66.980151
"118183"	341.165602	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+2Cl"	69.938804
"553371"	494.263702	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+2Cl"	69.938804
"1027636"	188.067502	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2Cl"	69.938804
"1253046"	385.115085	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Br"	78.918885
"1315128"	387.171072	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Cl+HCOOH"	80.974872
"1328252"	409.153029	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Cl+NaCOOH"	102.956829
"923683"	419.181786	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M-H+CF3COOH"	112.985586
"1298208"	455.158464	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Cl+CF3COOH"	148.962264
"1377461"	271.183524	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H-2H2O"	-35.012676
"1390586"	289.1935	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H-H2O"	-17.0027
"294645"	613.399676	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+H"	1.007276
"684881"	919.595876	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+H"	1.007276
"1361228"	307.203476	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H"	1.007276
"138497"	307.203476	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+2H"	2.014552
"579151"	460.301576	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+2H"	2.014552
"1050139"	154.105376	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2H"	2.014552
"215850"	205.138076	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+3H"	3.021828
"653222"	307.203476	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+3H"	3.021828
"1175725"	103.072676	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+3H"	3.021828
"431342"	630.426223	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+NH4"	18.033823
"794523"	936.622423	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+NH4"	18.033823
"1693042"	324.230023	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+NH4"	18.033823
"334759"	315.7167495	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+H+NH4"	19.041099
"726086"	468.8148495	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+H+NH4"	19.041099
"1485376"	162.6186495	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H+NH4"	19.041099
"397861"	635.381618	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+Na"	22.989218
"761774"	941.577818	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+Na"	22.989218
"1610966"	329.185418	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Na"	22.989218
"321002"	318.194447	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+H+Na"	23.996494
"709778"	471.292547	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+H+Na"	23.996494
"1464327"	165.096347	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H+Na"	23.996494
"1055023"	110.39999	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2H+Na"	25.00377
"1258886"	339.229686	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+CH3OH+H"	33.033486
"379284"	651.355558	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+K"	38.963158
"741372"	957.551758	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+K"	38.963158
"1542331"	345.159358	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+K"	38.963158
"303152"	326.181417	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+H+K"	39.970434
"697765"	479.279517	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+H+K"	39.970434
"1454876"	173.083317	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H+K"	39.970434
"245661"	654.426226	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+ACN+H"	42.033826
"1222384"	348.230026	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+ACN+H"	42.033826
"1205537"	174.618651	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+ACN+2H"	43.041102
"198406"	657.36356	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+2Na-H"	44.97116
"640155"	963.55976	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+2Na-H"	44.97116
"1134910"	351.16736	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2Na-H"	44.97116
"180389"	329.185418	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+2Na"	45.978436
"619217"	482.283518	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+2Na"	45.978436
"1126738"	176.087318	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2Na"	45.978436
"1412088"	117.727304	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H+2Na"	46.985712
"1445136"	353.208946	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H+HCOOH"	47.012746
"234263"	334.21844	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+3H2O+2H"	56.04448
"1521231"	367.26099	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+IsoProp+H"	61.06479
"419822"	337.172388	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+Na+K"	61.952376
"778629"	490.270488	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+Na+K"	61.952376
"1669492"	184.074288	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Na+K"	61.952376
"253095"	676.408168	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+ACN+Na"	64.015768
"1228722"	370.211968	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+ACN+Na"	64.015768
"1719798"	370.235493	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+NH4+HCOOH"	64.039293
"1188435"	125.054618	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+3Na"	68.967654
"1663081"	375.190888	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Na+HCOOH"	68.994688
"170307"	689.31144	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+2K-H"	76.91904
"609137"	995.50764	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+2K-H"	76.91904
"1096931"	383.11524	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2K-H"	76.91904
"154112"	345.159358	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"2M+2K"	77.926316
"594399"	498.257458	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"3M+2K"	77.926316
"1081098"	192.061258	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2K"	77.926316
"1107746"	385.129792	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2K+H"	78.933592
"1341943"	385.217407	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+DMSO+H"	79.021207
"1009379"	389.256576	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2ACN+H"	83.060376
"1525921"	390.250208	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+IsoProp+Na+H"	84.054008
"993950"	195.131926	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+2ACN+2H"	84.067652
"1591735"	391.164828	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+K+HCOOH"	84.968628
"1419585"	421.196338	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+H+CF3COOH"	115.000138
"1156435"	215.645201	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+3ACN+2H"	125.094202
"1705986"	438.222885	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+NH4+CF3COOH"	132.026685
"1647102"	443.17828	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+Na+CF3COOH"	136.98208
"1582752"	459.15222	"C13949"	"9-Chloro-10-hydroxyhexadecanoic acid;9-Chloro-10-hydroxypalmitic acid;9-Chloro-10-hydroxypalmitate"	"C16H31ClO3"	"306.1962"	"M+K+CF3COOH"	152.95602
"814218"	621.0608	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M"	0
"986658"	602.04241	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-H2O-H"	-19.01839
"67247"	413.033257333333	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M-3H"	-3.021828
"508994"	620.053524	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M-3H"	-3.021828
"882421"	206.012990666667	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-3H"	-3.021828
"10842"	620.053524	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M-2H"	-2.014552
"446031"	930.583924	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M-2H"	-2.014552
"827112"	309.523124	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-2H"	-2.014552
"90385"	1241.114324	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M-H"	-1.007276
"531770"	1862.175124	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M-H"	-1.007276
"906655"	620.053524	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-H"	-1.007276
"56291"	1258.140871	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M-2H+NH4"	16.019271
"496944"	1879.201671	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M-2H+NH4"	16.019271
"877664"	637.080071	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-2H+NH4"	16.019271
"44834"	1263.096266	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M-2H+Na"	20.974666
"482572"	1884.157066	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M-2H+Na"	20.974666
"860010"	642.035466	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-2H+Na"	20.974666
"1631366"	642.035466	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Na-2H"	20.974666
"107169"	638.041863	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M-H+Cl"	33.962126
"549568"	948.572263	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M-H+Cl"	33.962126
"942191"	327.511463	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-H+Cl"	33.962126
"276979"	1277.091002	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+Cl"	34.969402
"674989"	1898.151802	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+Cl"	34.969402
"1287270"	656.030202	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Cl"	34.969402
"25456"	1279.070206	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M-2H+K"	36.948606
"466108"	1900.131006	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M-2H+K"	36.948606
"842817"	658.009406	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-2H+K"	36.948606
"1568493"	658.009406	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+K-2H"	36.948606
"953094"	666.058994	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-H+HCOOH"	44.998194
"371311"	1287.119801	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+HCOOH-H"	44.998201
"356288"	1301.135451	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+Hac-H"	59.013851
"1500749"	680.074651	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Hac-H"	59.013851
"962823"	688.040951	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-H+NaCOOH"	66.980151
"115012"	656.030202	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+2Cl"	69.938804
"554575"	966.560602	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+2Cl"	69.938804
"1026653"	345.499802	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2Cl"	69.938804
"1248416"	699.979685	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Br"	78.918885
"1315238"	702.035672	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Cl+HCOOH"	80.974872
"1329452"	724.017629	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Cl+NaCOOH"	102.956829
"923793"	734.046386	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M-H+CF3COOH"	112.985586
"1297225"	770.023064	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Cl+CF3COOH"	148.962264
"1377571"	586.048124	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H-2H2O"	-35.012676
"1390696"	604.0581	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H-H2O"	-17.0027
"294755"	1243.128876	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+H"	1.007276
"683898"	1864.189676	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+H"	1.007276
"1358058"	622.068076	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H"	1.007276
"137514"	622.068076	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+2H"	2.014552
"579261"	932.598476	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+2H"	2.014552
"1052436"	311.537676	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2H"	2.014552
"215960"	415.047809333333	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+3H"	3.021828
"653332"	622.068076	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+3H"	3.021828
"1172555"	208.027542666667	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+3H"	3.021828
"431452"	1260.155423	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+NH4"	18.033823
"793540"	1881.216223	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+NH4"	18.033823
"1692059"	639.094623	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+NH4"	18.033823
"338149"	630.5813495	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+H+NH4"	19.041099
"728383"	941.1117495	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+H+NH4"	19.041099
"1482204"	320.0509495	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H+NH4"	19.041099
"401977"	1265.110818	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+Na"	22.989218
"756776"	1886.171618	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+Na"	22.989218
"1607796"	644.050018	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Na"	22.989218
"317833"	633.059047	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+H+Na"	23.996494
"709888"	943.589447	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+H+Na"	23.996494
"1465895"	322.528647	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H+Na"	23.996494
"1057320"	215.354856666667	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2H+Na"	25.00377
"1257537"	654.094286	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+CH3OH+H"	33.033486
"380122"	1281.084758	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+K"	38.963158
"740023"	1902.145558	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+K"	38.963158
"1541347"	660.023958	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+K"	38.963158
"302533"	641.046017	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+H+K"	39.970434
"696782"	951.576417	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+H+K"	39.970434
"1454986"	330.515617	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H+K"	39.970434
"244678"	1284.155426	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+ACN+H"	42.033826
"1221401"	663.094626	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+ACN+H"	42.033826
"1205647"	332.050951	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+ACN+2H"	43.041102
"195236"	1287.09276	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+2Na-H"	44.97116
"639172"	1908.15356	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+2Na-H"	44.97116
"1135384"	666.03196	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2Na-H"	44.97116
"180134"	644.050018	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+2Na"	45.978436
"619691"	954.580418	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+2Na"	45.978436
"1125755"	333.519618	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2Na"	45.978436
"1410739"	222.682170666667	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H+2Na"	46.985712
"1442854"	668.073546	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H+HCOOH"	47.012746
"233644"	649.08304	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+3H2O+2H"	56.04448
"1520977"	682.12559	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+IsoProp+H"	61.06479
"421391"	652.036988	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+Na+K"	61.952376
"778739"	962.567388	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+Na+K"	61.952376
"1670695"	341.506588	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Na+K"	61.952376
"253205"	1306.137368	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+ACN+Na"	64.015768
"1229925"	685.076568	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+ACN+Na"	64.015768
"1722094"	685.100093	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+NH4+HCOOH"	64.039293
"1190732"	230.009484666667	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+3Na"	68.967654
"1662464"	690.055488	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Na+HCOOH"	68.994688
"171509"	1319.04064	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+2K-H"	76.91904
"610341"	1940.10144	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+2K-H"	76.91904
"1097405"	697.97984	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2K-H"	76.91904
"153127"	660.023958	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"2M+2K"	77.926316
"594147"	970.554358	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"3M+2K"	77.926316
"1081208"	349.493558	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2K"	77.926316
"1107856"	699.994392	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2K+H"	78.933592
"1344240"	700.082007	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+DMSO+H"	79.021207
"1011676"	704.121176	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2ACN+H"	83.060376
"1525910"	705.114808	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+IsoProp+Na+H"	84.054008
"995154"	352.564226	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+2ACN+2H"	84.067652
"1591847"	706.029428	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+K+HCOOH"	84.968628
"1419696"	736.060938	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+H+CF3COOH"	115.000138
"1151077"	373.077501	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+3ACN+2H"	125.094202
"1701723"	753.087485	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+NH4+CF3COOH"	132.026685
"1645028"	758.04288	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+Na+CF3COOH"	136.98208
"1582863"	774.01682	"C13952"	"UDP-N-acetyl-D-galactosaminuronic acid"	"C17H25N3O18P2"	"621.0608"	"M+K+CF3COOH"	152.95602
"815419"	325.2253	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M"	0
"986768"	306.20691	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H2O-H"	-19.01839
"67356"	215.809590666667	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-3H"	-3.021828
"510197"	324.218024	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-3H"	-3.021828
"885811"	107.401157333333	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-3H"	-3.021828
"7672"	324.218024	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H"	-2.014552
"449420"	486.830674	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H"	-2.014552
"823941"	161.605374	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H"	-2.014552
"91953"	649.443324	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-H"	-1.007276
"530057"	974.668624	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-H"	-1.007276
"907495"	324.218024	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H"	-1.007276
"58224"	666.469871	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H+NH4"	16.019271
"496690"	991.695171	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H+NH4"	16.019271
"877045"	341.244571	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H+NH4"	16.019271
"42757"	671.425266	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H+Na"	20.974666
"482316"	996.650566	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H+Na"	20.974666
"860120"	346.199966	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H+Na"	20.974666
"1632205"	346.199966	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na-2H"	20.974666
"106915"	342.206363	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-H+Cl"	33.962126
"548907"	504.819013	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-H+Cl"	33.962126
"941450"	179.593713	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+Cl"	33.962126
"278182"	685.420002	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Cl"	34.969402
"670602"	1010.645302	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+Cl"	34.969402
"1285193"	360.194702	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl"	34.969402
"26659"	687.399206	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M-2H+K"	36.948606
"464032"	1012.624506	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M-2H+K"	36.948606
"842927"	362.173906	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-2H+K"	36.948606
"1567510"	362.173906	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K-2H"	36.948606
"949925"	370.223494	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+HCOOH"	44.998194
"370328"	695.448801	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+HCOOH-H"	44.998201
"354211"	709.464451	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Hac-H"	59.013851
"1503045"	384.239151	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Hac-H"	59.013851
"962933"	392.205451	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+NaCOOH"	66.980151
"115122"	360.194702	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2Cl"	69.938804
"554685"	522.807352	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2Cl"	69.938804
"1027856"	197.582052	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2Cl"	69.938804
"1248526"	404.144185	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Br"	78.918885
"1312067"	406.200172	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl+HCOOH"	80.974872
"1328469"	428.182129	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl+NaCOOH"	102.956829
"920623"	438.210886	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M-H+CF3COOH"	112.985586
"1296236"	474.187564	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Cl+CF3COOH"	148.962264
"1377681"	290.212624	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H-2H2O"	-35.012676
"1390806"	308.2226	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H-H2O"	-17.0027
"291586"	651.457876	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H"	1.007276
"679633"	976.683176	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H"	1.007276
"1358168"	326.232576	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H"	1.007276
"136531"	326.232576	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2H"	2.014552
"578278"	488.845226	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2H"	2.014552
"1049266"	163.619926	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2H"	2.014552
"213884"	217.824142666667	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+3H"	3.021828
"653443"	326.232576	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+3H"	3.021828
"1171572"	109.415709333333	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+3H"	3.021828
"429376"	668.484423	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+NH4"	18.033823
"793650"	993.709723	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+NH4"	18.033823
"1689982"	343.259123	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+NH4"	18.033823
"338259"	334.7458495	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H+NH4"	19.041099
"731773"	497.3584995	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H+NH4"	19.041099
"1481220"	172.1331995	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+NH4"	19.041099
"398807"	673.439818	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Na"	22.989218
"764176"	998.665118	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+Na"	22.989218
"1604253"	348.214518	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na"	22.989218
"316850"	337.223547	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H+Na"	23.996494
"708538"	499.836197	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H+Na"	23.996494
"1463818"	174.610897	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+Na"	23.996494
"1054514"	116.743023333333	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2H+Na"	25.00377
"1257279"	358.258786	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+CH3OH+H"	33.033486
"378168"	689.413758	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+K"	38.963158
"739892"	1014.639058	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+K"	38.963158
"1540853"	364.188458	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K"	38.963158
"301186"	345.210517	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+H+K"	39.970434
"694705"	507.823167	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+H+K"	39.970434
"1454003"	182.597867	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+K"	39.970434
"245881"	692.484426	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+ACN+H"	42.033826
"1220418"	367.259126	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+ACN+H"	42.033826
"1206486"	184.133201	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+ACN+2H"	43.041102
"195346"	695.42176	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2Na-H"	44.97116
"638918"	1020.64706	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2Na-H"	44.97116
"1135494"	370.19646	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2Na-H"	44.97116
"179516"	348.214518	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2Na"	45.978436
"617615"	510.827168	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2Na"	45.978436
"1125865"	185.601868	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2Na"	45.978436
"1413035"	124.070337333333	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+2Na"	46.985712
"1442599"	372.238046	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+HCOOH"	47.012746
"233754"	353.24754	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+3H2O+2H"	56.04448
"1521451"	386.29009	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+IsoProp+H"	61.06479
"422229"	356.201488	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+Na+K"	61.952376
"778849"	518.814138	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+Na+K"	61.952376
"1671898"	193.588838	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na+K"	61.952376
"255137"	714.466368	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+ACN+Na"	64.015768
"1227848"	389.241068	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+ACN+Na"	64.015768
"1716738"	389.264593	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+NH4+HCOOH"	64.039293
"1188654"	131.397651333333	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+3Na"	68.967654
"1659640"	394.219988	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na+HCOOH"	68.994688
"170891"	727.36964	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2K-H"	76.91904
"610087"	1052.59494	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2K-H"	76.91904
"1097878"	402.14434	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2K-H"	76.91904
"154331"	364.188458	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"2M+2K"	77.926316
"595349"	526.801108	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"3M+2K"	77.926316
"1080954"	201.575808	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2K"	77.926316
"1107966"	404.158892	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2K+H"	78.933592
"1338883"	404.246507	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+DMSO+H"	79.021207
"1006803"	408.285676	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2ACN+H"	83.060376
"1532098"	409.279308	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+IsoProp+Na+H"	84.054008
"997451"	204.646476	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+2ACN+2H"	84.067652
"1600703"	410.193928	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K+HCOOH"	84.968628
"1420899"	440.225438	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+H+CF3COOH"	115.000138
"1151187"	225.159751	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+3ACN+2H"	125.094202
"1701833"	457.251985	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+NH4+CF3COOH"	132.026685
"1646231"	462.20738	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+Na+CF3COOH"	136.98208
"1582973"	478.18132	"C13958"	"12-Nitrolinoleic acid;12-Nitro-9-cis12-cis-octadecadienoic acid;(9Z12E)-12-Nitrooctadeca-912-dienoic acid"	"C18H31NO4"	"325.2253"	"M+K+CF3COOH"	152.95602
"816736"	444.0103	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M"	0
"989393"	424.99191	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-H2O-H"	-19.01839
"77308"	294.999590666667	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M-3H"	-3.021828
"511401"	443.003024	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M-3H"	-3.021828
"889201"	146.996157333333	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-3H"	-3.021828
"12158"	443.003024	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M-2H"	-2.014552
"454277"	665.008174	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M-2H"	-2.014552
"832565"	220.997874	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-2H"	-2.014552
"93403"	887.013324	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M-H"	-1.007276
"533577"	1331.023624	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M-H"	-1.007276
"910890"	443.003024	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-H"	-1.007276
"62354"	904.039871	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M-2H+NH4"	16.019271
"502637"	1348.050171	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M-2H+NH4"	16.019271
"879227"	460.029571	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-2H+NH4"	16.019271
"46518"	908.995266	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M-2H+Na"	20.974666
"486686"	1353.005566	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M-2H+Na"	20.974666
"863153"	464.984966	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-2H+Na"	20.974666
"1632922"	464.984966	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Na-2H"	20.974666
"109219"	460.991363	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M-H+Cl"	33.962126
"549263"	682.996513	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M-H+Cl"	33.962126
"939373"	238.986213	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-H+Cl"	33.962126
"281697"	922.990002	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+Cl"	34.969402
"667433"	1367.000302	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+Cl"	34.969402
"1284209"	478.979702	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Cl"	34.969402
"26768"	924.969206	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M-2H+K"	36.948606
"466328"	1368.979506	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M-2H+K"	36.948606
"836474"	480.958906	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-2H+K"	36.948606
"1568714"	480.958906	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+K-2H"	36.948606
"952221"	489.008494	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-H+HCOOH"	44.998194
"372261"	933.018801	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+HCOOH-H"	44.998201
"353957"	947.034451	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+Hac-H"	59.013851
"1504249"	503.024151	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Hac-H"	59.013851
"964137"	510.990451	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-H+NaCOOH"	66.980151
"115232"	478.979702	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+2Cl"	69.938804
"562447"	700.984852	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+2Cl"	69.938804
"1027966"	256.974552	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2Cl"	69.938804
"1248638"	522.929185	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Br"	78.918885
"1319230"	524.985172	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Cl+HCOOH"	80.974872
"1331500"	546.967129	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Cl+NaCOOH"	102.956829
"922924"	556.995886	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M-H+CF3COOH"	112.985586
"1298538"	592.972564	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Cl+CF3COOH"	148.962264
"1375604"	408.997624	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H-2H2O"	-35.012676
"1390916"	427.0076	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H-H2O"	-17.0027
"288416"	889.027876	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+H"	1.007276
"679743"	1333.038176	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+H"	1.007276
"1354998"	445.017576	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H"	1.007276
"138829"	445.017576	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+2H"	2.014552
"578389"	667.022726	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+2H"	2.014552
"1048282"	223.012426	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2H"	2.014552
"219099"	297.014142666667	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+3H"	3.021828
"650275"	445.017576	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+3H"	3.021828
"1170589"	149.010709333333	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+3H"	3.021828
"434955"	906.054423	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+NH4"	18.033823
"790483"	1350.064723	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+NH4"	18.033823
"1687907"	462.044123	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+NH4"	18.033823
"339464"	453.5308495	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+H+NH4"	19.041099
"726055"	675.5359995	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+H+NH4"	19.041099
"1478780"	231.5256995	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H+NH4"	19.041099
"394907"	911.009818	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+Na"	22.989218
"756630"	1355.020118	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+Na"	22.989218
"1605823"	466.999518	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Na"	22.989218
"320242"	456.008547	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+H+Na"	23.996494
"710474"	678.013697	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+H+Na"	23.996494
"1464289"	234.003397	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H+Na"	23.996494
"1057540"	156.338023333333	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2H+Na"	25.00377
"1259216"	477.043786	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+CH3OH+H"	33.033486
"379251"	926.983758	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+K"	38.963158
"740608"	1370.994058	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+K"	38.963158
"1541567"	482.973458	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+K"	38.963158
"302389"	463.995517	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+H+K"	39.970434
"694815"	686.000667	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+H+K"	39.970434
"1454113"	241.990367	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H+K"	39.970434
"245991"	930.054426	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+ACN+H"	42.033826
"1222714"	486.044126	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+ACN+H"	42.033826
"1206232"	243.525701	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+ACN+2H"	43.041102
"199466"	932.99176	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+2Na-H"	44.97116
"639392"	1377.00206	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+2Na-H"	44.97116
"1137429"	488.98146	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2Na-H"	44.97116
"179626"	466.999518	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+2Na"	45.978436
"619548"	689.004668	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+2Na"	45.978436
"1125975"	244.994368	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2Na"	45.978436
"1411687"	163.665337333333	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H+2Na"	46.985712
"1444774"	491.023046	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H+HCOOH"	47.012746
"235198"	472.03254	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+3H2O+2H"	56.04448
"1519372"	505.07509	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+IsoProp+H"	61.06479
"420152"	474.986488	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+Na+K"	61.952376
"778959"	696.991638	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+Na+K"	61.952376
"1672008"	252.981338	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Na+K"	61.952376
"254154"	952.036368	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+ACN+Na"	64.015768
"1228322"	508.026068	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+ACN+Na"	64.015768
"1719035"	508.049593	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+NH4+HCOOH"	64.039293
"1188764"	170.992651333333	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+3Na"	68.967654
"1654646"	513.004988	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Na+HCOOH"	68.994688
"170636"	964.93964	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+2K-H"	76.91904
"606918"	1408.94994	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+2K-H"	76.91904
"1095805"	520.92934	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2K-H"	76.91904
"151162"	482.973458	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"2M+2K"	77.926316
"592908"	704.978608	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"3M+2K"	77.926316
"1080701"	260.968308	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2K"	77.926316
"1107715"	522.943892	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2K+H"	78.933592
"1341182"	523.031507	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+DMSO+H"	79.021207
"1011898"	527.070676	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2ACN+H"	83.060376
"1533668"	528.064308	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+IsoProp+Na+H"	84.054008
"998655"	264.038976	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+2ACN+2H"	84.067652
"1602273"	528.978928	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+K+HCOOH"	84.968628
"1429025"	559.010438	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+H+CF3COOH"	115.000138
"1158952"	284.552251	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+3ACN+2H"	125.094202
"1709597"	576.036985	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+NH4+CF3COOH"	132.026685
"1648163"	580.99238	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+Na+CF3COOH"	136.98208
"1583083"	596.96632	"C13962"	"Chloramphenicol sodium succinate"	"C15H15Cl2N2O8Na"	"444.0103"	"M+K+CF3COOH"	152.95602
"813450"	390.2406	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M"	0
"986988"	371.22221	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-H2O-H"	-19.01839
"73043"	259.153124	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M-3H"	-3.021828
"513698"	389.233324	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M-3H"	-3.021828
"888218"	129.072924	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-3H"	-3.021828
"3882"	389.233324	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M-2H"	-2.014552
"447453"	584.353624	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M-2H"	-2.014552
"821974"	194.113024	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-2H"	-2.014552
"89620"	779.473924	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M-H"	-1.007276
"533080"	1169.714524	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M-H"	-1.007276
"910391"	389.233324	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-H"	-1.007276
"59901"	796.500471	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M-2H+NH4"	16.019271
"495450"	1186.741071	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M-2H+NH4"	16.019271
"878728"	406.259871	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-2H+NH4"	16.019271
"45407"	801.455866	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M-2H+Na"	20.974666
"486067"	1191.696466	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M-2H+Na"	20.974666
"863142"	411.215266	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-2H+Na"	20.974666
"1633153"	411.215266	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Na-2H"	20.974666
"107506"	407.221663	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M-H+Cl"	33.962126
"548401"	602.341963	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M-H+Cl"	33.962126
"940455"	212.101363	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-H+Cl"	33.962126
"281442"	815.450602	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+Cl"	34.969402
"667543"	1205.691202	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+Cl"	34.969402
"1284319"	425.210002	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Cl"	34.969402
"24692"	817.429806	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M-2H+K"	36.948606
"466438"	1207.670406	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M-2H+K"	36.948606
"837313"	427.189206	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-2H+K"	36.948606
"1563355"	427.189206	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+K-2H"	36.948606
"951238"	435.238794	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-H+HCOOH"	44.998194
"371642"	825.479401	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+HCOOH-H"	44.998201
"353338"	839.495051	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+Hac-H"	59.013851
"1499986"	449.254451	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Hac-H"	59.013851
"963154"	457.220751	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-H+NaCOOH"	66.980151
"115342"	425.210002	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+2Cl"	69.938804
"561464"	620.330302	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+2Cl"	69.938804
"1028076"	230.089702	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2Cl"	69.938804
"1248748"	469.159485	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Br"	78.918885
"1315571"	471.215472	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Cl+HCOOH"	80.974872
"1328693"	493.197429	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Cl+NaCOOH"	102.956829
"921937"	503.226186	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M-H+CF3COOH"	112.985586
"1301926"	539.202864	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Cl+CF3COOH"	148.962264
"1375714"	355.227924	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H-2H2O"	-35.012676
"1394306"	373.2379	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H-H2O"	-17.0027
"291806"	781.488476	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+H"	1.007276
"680947"	1171.729076	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+H"	1.007276
"1355472"	391.247876	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H"	1.007276
"137846"	391.247876	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+2H"	2.014552
"576312"	586.368176	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+2H"	2.014552
"1047299"	196.127576	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2H"	2.014552
"214107"	261.167676	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+3H"	3.021828
"650749"	391.247876	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+3H"	3.021828
"1171793"	131.087476	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+3H"	3.021828
"432879"	798.515023	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+NH4"	18.033823
"791687"	1188.755623	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+NH4"	18.033823
"1686559"	408.274423	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+NH4"	18.033823
"337387"	399.7611495	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+H+NH4"	19.041099
"724706"	594.8814495	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+H+NH4"	19.041099
"1481077"	204.6408495	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H+NH4"	19.041099
"395017"	803.470418	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+Na"	22.989218
"755283"	1193.711018	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+Na"	22.989218
"1608485"	413.229818	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Na"	22.989218
"316337"	402.238847	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+H+Na"	23.996494
"710584"	597.359147	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+H+Na"	23.996494
"1463427"	207.118547	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H+Na"	23.996494
"1055820"	138.41479	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2H+Na"	25.00377
"1258595"	423.274086	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+CH3OH+H"	33.033486
"378995"	819.444358	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+K"	38.963158
"741084"	1209.684958	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+K"	38.963158
"1542043"	429.203758	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+K"	38.963158
"302500"	410.225817	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+H+K"	39.970434
"693832"	605.346117	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+H+K"	39.970434
"1454221"	215.105517	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H+K"	39.970434
"246467"	822.515026	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+ACN+H"	42.033826
"1221730"	432.274426	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+ACN+H"	42.033826
"1207072"	216.640851	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+ACN+2H"	43.041102
"197753"	825.45236	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+2Na-H"	44.97116
"639502"	1215.69296	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+2Na-H"	44.97116
"1136809"	435.21176	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2Na-H"	44.97116
"179005"	413.229818	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+2Na"	45.978436
"621116"	608.350118	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+2Na"	45.978436
"1127178"	218.109518	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2Na"	45.978436
"1413744"	145.742104	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H+2Na"	46.985712
"1445372"	437.253346	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H+HCOOH"	47.012746
"233607"	418.26284	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+3H2O+2H"	56.04448
"1516202"	451.30539	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+IsoProp+H"	61.06479
"416982"	421.216788	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+Na+K"	61.952376
"781256"	616.337088	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+Na+K"	61.952376
"1671025"	226.096488	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Na+K"	61.952376
"254264"	844.496968	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+ACN+Na"	64.015768
"1231349"	454.256368	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+ACN+Na"	64.015768
"1722425"	454.279893	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+NH4+HCOOH"	64.039293
"1191790"	153.069418	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+3Na"	68.967654
"1654756"	459.235288	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Na+HCOOH"	68.994688
"169652"	857.40024	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+2K-H"	76.91904
"609943"	1247.64084	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+2K-H"	76.91904
"1095914"	467.15964	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2K-H"	76.91904
"151271"	429.203758	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"2M+2K"	77.926316
"593018"	624.324058	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"3M+2K"	77.926316
"1077530"	234.083458	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2K"	77.926316
"1110741"	469.174192	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2K+H"	78.933592
"1341292"	469.261807	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+DMSO+H"	79.021207
"1013101"	473.300976	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2ACN+H"	83.060376
"1534142"	474.294608	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+IsoProp+Na+H"	84.054008
"998765"	237.154126	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+2ACN+2H"	84.067652
"1599831"	475.209228	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+K+HCOOH"	84.968628
"1429135"	505.240738	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+H+CF3COOH"	115.000138
"1156875"	257.667401	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+3ACN+2H"	125.094202
"1709707"	522.267285	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+NH4+CF3COOH"	132.026685
"1648273"	527.22268	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+Na+CF3COOH"	136.98208
"1583193"	543.19662	"C13963"	"Mevastatin;Compactin;ML-236B"	"C23H34O5"	"390.2406"	"M+K+CF3COOH"	152.95602
"814654"	175.9551	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M"	0
"989667"	156.93671	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-H2O-H"	-19.01839
"75339"	116.296124	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M-3H"	-3.021828
"518182"	174.947824	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M-3H"	-3.021828
"891609"	57.644424	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-3H"	-3.021828
"5817"	174.947824	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M-2H"	-2.014552
"447564"	262.925374	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M-2H"	-2.014552
"822084"	86.970274	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-2H"	-2.014552
"83170"	350.902924	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M-H"	-1.007276
"534179"	526.858024	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M-H"	-1.007276
"908918"	174.947824	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-H"	-1.007276
"58918"	367.929471	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M-2H+NH4"	16.019271
"495560"	543.884571	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M-2H+NH4"	16.019271
"877739"	191.974371	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-2H+NH4"	16.019271
"44544"	372.884866	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M-2H+Na"	20.974666
"486504"	548.839966	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M-2H+Na"	20.974666
"863818"	196.929766	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-2H+Na"	20.974666
"1634148"	196.929766	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Na-2H"	20.974666
"107615"	192.936163	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M-H+Cl"	33.962126
"549405"	280.913713	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M-H+Cl"	33.962126
"941906"	104.958613	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-H+Cl"	33.962126
"281065"	386.879602	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+Cl"	34.969402
"674580"	562.834702	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+Cl"	34.969402
"1286982"	210.924502	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Cl"	34.969402
"24802"	388.858806	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M-2H+K"	36.948606
"466549"	564.813906	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M-2H+K"	36.948606
"842892"	212.903706	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-2H+K"	36.948606
"1565652"	212.903706	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+K-2H"	36.948606
"949161"	220.953294	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-H+HCOOH"	44.998194
"369566"	396.908401	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+HCOOH-H"	44.998201
"353448"	410.924051	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+Hac-H"	59.013851
"1503376"	234.968951	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Hac-H"	59.013851
"964357"	242.935251	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-H+NaCOOH"	66.980151
"117639"	210.924502	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+2Cl"	69.938804
"563397"	298.902052	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+2Cl"	69.938804
"1028186"	122.946952	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2Cl"	69.938804
"1252138"	254.873985	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Br"	78.918885
"1316775"	256.929972	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Cl+HCOOH"	80.974872
"1333542"	278.911929	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Cl+NaCOOH"	102.956829
"923870"	288.940686	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M-H+CF3COOH"	112.985586
"1297662"	324.917364	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Cl+CF3COOH"	148.962264
"1379105"	140.942424	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H-2H2O"	-35.012676
"1394417"	158.9524	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H-H2O"	-17.0027
"293010"	352.917476	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+H"	1.007276
"686524"	528.872576	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+H"	1.007276
"1359593"	176.962376	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H"	1.007276
"137954"	176.962376	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+2H"	2.014552
"573142"	264.939926	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+2H"	2.014552
"1043035"	88.984826	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2H"	2.014552
"214217"	118.310676	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+3H"	3.021828
"655962"	176.962376	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+3H"	3.021828
"1171904"	59.658976	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+3H"	3.021828
"434082"	369.944023	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+NH4"	18.033823
"795077"	545.899123	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+NH4"	18.033823
"1690317"	193.988923	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+NH4"	18.033823
"335675"	185.4756495	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+H+NH4"	19.041099
"725544"	273.4531995	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+H+NH4"	19.041099
"1481917"	97.4980995	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H+NH4"	19.041099
"396587"	374.899418	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+Na"	22.989218
"757946"	550.854518	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+Na"	22.989218
"1608230"	198.944318	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Na"	22.989218
"317179"	187.953347	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+H+Na"	23.996494
"711058"	275.930897	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+H+Na"	23.996494
"1463416"	99.975797	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H+Na"	23.996494
"1055571"	66.98629	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2H+Na"	25.00377
"1257734"	208.988586	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+CH3OH+H"	33.033486
"379835"	390.873358	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+K"	38.963158
"743383"	566.828458	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+K"	38.963158
"1543612"	214.918258	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+K"	38.963158
"303704"	195.940317	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+H+K"	39.970434
"695035"	283.917867	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+H+K"	39.970434
"1455424"	107.962767	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H+K"	39.970434
"248764"	393.944026	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+ACN+H"	42.033826
"1221840"	217.988926	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+ACN+H"	42.033826
"1203900"	109.498101	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+ACN+2H"	43.041102
"194217"	396.88136	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+2Na-H"	44.97116
"639612"	572.83646	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+2Na-H"	44.97116
"1137647"	220.92626	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2Na-H"	44.97116
"175104"	198.944318	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+2Na"	45.978436
"618672"	286.921868	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+2Na"	45.978436
"1129110"	110.966768	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2Na"	45.978436
"1408624"	74.313604	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H+2Na"	46.985712
"1445203"	222.967846	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H+HCOOH"	47.012746
"232623"	203.97734	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+3H2O+2H"	56.04448
"1518499"	237.01989	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+IsoProp+H"	61.06479
"419279"	206.931288	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+Na+K"	61.952376
"781366"	294.908838	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+Na+K"	61.952376
"1674415"	118.953738	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Na+K"	61.952376
"255832"	415.925968	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+ACN+Na"	64.015768
"1228542"	239.970868	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+ACN+Na"	64.015768
"1724722"	239.994393	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+NH4+HCOOH"	64.039293
"1192264"	81.640918	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+3Na"	68.967654
"1654866"	244.949788	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Na+HCOOH"	68.994688
"171585"	428.82924	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+2K-H"	76.91904
"610784"	604.78434	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+2K-H"	76.91904
"1099551"	252.87414	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2K-H"	76.91904
"151017"	214.918258	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"2M+2K"	77.926316
"595802"	302.895808	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"3M+2K"	77.926316
"1080920"	126.940708	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2K"	77.926316
"1110851"	254.888692	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2K+H"	78.933592
"1344682"	254.976307	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+DMSO+H"	79.021207
"1014305"	259.015476	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2ACN+H"	83.060376
"1536439"	260.009108	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+IsoProp+Na+H"	84.054008
"1003616"	130.011376	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+2ACN+2H"	84.067652
"1601399"	260.923728	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+K+HCOOH"	84.968628
"1429610"	290.955238	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+H+CF3COOH"	115.000138
"1162413"	150.524651	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+3ACN+2H"	125.094202
"1711640"	307.981785	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+NH4+CF3COOH"	132.026685
"1649804"	312.93718	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+Na+CF3COOH"	136.98208
"1583303"	328.91112	"C13964"	"Fosfomycin calcium;Calcium phosphomycin"	"C3H5O4PCa"	"175.9551"	"M+K+CF3COOH"	152.95602
"812577"	422.0524	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M"	0
"988298"	403.03401	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-H2O-H"	-19.01839
"66701"	280.360990666667	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M-3H"	-3.021828
"507356"	421.045124	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M-3H"	-3.021828
"888438"	139.676857333333	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-3H"	-3.021828
"3739"	421.045124	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M-2H"	-2.014552
"449861"	632.071324	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M-2H"	-2.014552
"823287"	210.018924	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-2H"	-2.014552
"84373"	843.097524	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M-H"	-1.007276
"530496"	1265.149924	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M-H"	-1.007276
"910244"	421.045124	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-H"	-1.007276
"57205"	860.124071	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M-2H+NH4"	16.019271
"494576"	1282.176471	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M-2H+NH4"	16.019271
"879879"	438.071671	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-2H+NH4"	16.019271
"43561"	865.079466	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M-2H+Na"	20.974666
"486938"	1287.131866	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M-2H+Na"	20.974666
"864048"	443.027066	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-2H+Na"	20.974666
"1633252"	443.027066	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Na-2H"	20.974666
"106995"	439.033463	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M-H+Cl"	33.962126
"548741"	650.059663	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M-H+Cl"	33.962126
"941526"	228.007263	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-H+Cl"	33.962126
"281175"	879.074202	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+Cl"	34.969402
"675057"	1301.126602	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+Cl"	34.969402
"1288149"	457.021802	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Cl"	34.969402
"26005"	881.053406	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M-2H+K"	36.948606
"462285"	1303.105806	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M-2H+K"	36.948606
"840085"	459.001006	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-2H+K"	36.948606
"1562482"	459.001006	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+K-2H"	36.948606
"945991"	467.050594	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-H+HCOOH"	44.998194
"369676"	889.103001	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+HCOOH-H"	44.998201
"350278"	903.118651	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+Hac-H"	59.013851
"1501299"	481.066251	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Hac-H"	59.013851
"964467"	489.032551	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-H+NaCOOH"	66.980151
"115562"	457.021802	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+2Cl"	69.938804
"562777"	668.048002	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+2Cl"	69.938804
"1031576"	245.995602	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2Cl"	69.938804
"1252248"	500.971285	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Br"	78.918885
"1315791"	503.027272	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Cl+HCOOH"	80.974872
"1331100"	525.009229	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Cl+NaCOOH"	102.956829
"923980"	535.037986	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M-H+CF3COOH"	112.985586
"1297772"	571.014664	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Cl+CF3COOH"	148.962264
"1379215"	387.039724	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H-2H2O"	-35.012676
"1395256"	405.0497	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H-H2O"	-17.0027
"293120"	845.112076	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+H"	1.007276
"684447"	1267.164476	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+H"	1.007276
"1361890"	423.059676	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H"	1.007276
"128582"	423.059676	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+2H"	2.014552
"576531"	634.085876	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+2H"	2.014552
"1046424"	212.033476	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2H"	2.014552
"215420"	282.375542666667	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+3H"	3.021828
"654979"	423.059676	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+3H"	3.021828
"1170921"	141.691409333333	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+3H"	3.021828
"432005"	862.138623	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+NH4"	18.033823
"789716"	1284.191023	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+NH4"	18.033823
"1686413"	440.086223	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+NH4"	18.033823
"332867"	431.5729495	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+H+NH4"	19.041099
"724195"	642.5991495	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+H+NH4"	19.041099
"1480201"	220.5467495	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H+NH4"	19.041099
"400704"	867.094018	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+Na"	22.989218
"757690"	1289.146418	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+Na"	22.989218
"1613808"	445.041618	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Na"	22.989218
"315830"	434.050647	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+H+Na"	23.996494
"708248"	645.076847	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+H+Na"	23.996494
"1463524"	223.024447	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H+Na"	23.996494
"1058960"	149.018723333333	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2H+Na"	25.00377
"1258452"	455.085886	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+CH3OH+H"	33.033486
"380307"	883.067958	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+K"	38.963158
"742396"	1305.120358	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+K"	38.963158
"1543357"	461.015558	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+K"	38.963158
"301625"	442.037617	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+H+K"	39.970434
"694052"	653.063817	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+H+K"	39.970434
"1457720"	231.011417	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H+K"	39.970434
"243040"	886.138626	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+ACN+H"	42.033826
"1222313"	464.086226	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+ACN+H"	42.033826
"1202916"	232.546751	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+ACN+2H"	43.041102
"195786"	889.07596	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+2Na-H"	44.97116
"639722"	1311.12836	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+2Na-H"	44.97116
"1137757"	467.02356	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2Na-H"	44.97116
"175214"	445.041618	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+2Na"	45.978436
"618418"	656.067818	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+2Na"	45.978436
"1129099"	234.015418	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2Na"	45.978436
"1409827"	156.346037333333	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H+2Na"	46.985712
"1445231"	469.065146	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H+HCOOH"	47.012746
"233826"	450.07464	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+3H2O+2H"	56.04448
"1518609"	483.11719	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+IsoProp+H"	61.06479
"417201"	453.028588	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+Na+K"	61.952376
"779289"	664.054788	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+Na+K"	61.952376
"1674525"	242.002388	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Na+K"	61.952376
"254483"	908.120568	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+ACN+Na"	64.015768
"1229379"	486.068168	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+ACN+Na"	64.015768
"1721552"	486.091693	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+NH4+HCOOH"	64.039293
"1186907"	163.673351333333	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+3Na"	68.967654
"1654976"	491.047088	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Na+HCOOH"	68.994688
"172060"	921.02384	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+2K-H"	76.91904
"610164"	1343.07624	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+2K-H"	76.91904
"1098687"	498.97144	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2K-H"	76.91904
"156234"	461.015558	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"2M+2K"	77.926316
"593967"	672.041758	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"3M+2K"	77.926316
"1076291"	249.989358	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2K"	77.926316
"1111325"	500.985992	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2K+H"	78.933592
"1344792"	501.073607	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+DMSO+H"	79.021207
"1017695"	505.112776	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2ACN+H"	83.060376
"1538006"	506.106408	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+IsoProp+Na+H"	84.054008
"1001173"	253.060026	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+2ACN+2H"	84.067652
"1598955"	507.021028	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+K+HCOOH"	84.968628
"1428260"	537.052538	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+H+CF3COOH"	115.000138
"1161835"	273.573301	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+3ACN+2H"	125.094202
"1711387"	554.079085	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+NH4+CF3COOH"	132.026685
"1649711"	559.03448	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+Na+CF3COOH"	136.98208
"1583413"	575.00842	"C13967"	"Carbenicillin sodium;Carbenicillin disodium"	"C17H16N2O6S2Na"	"422.0524"	"M+K+CF3COOH"	152.95602
"812687"	484.06	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M"	0
"988408"	465.04161	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-H2O-H"	-19.01839
"64624"	321.699390666667	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M-3H"	-3.021828
"507466"	483.052724	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M-3H"	-3.021828
"888548"	160.346057333333	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-3H"	-3.021828
"3849"	483.052724	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M-2H"	-2.014552
"451064"	725.082724	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M-2H"	-2.014552
"824490"	241.022724	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-2H"	-2.014552
"85576"	967.112724	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M-H"	-1.007276
"530606"	1451.172724	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M-H"	-1.007276
"910597"	483.052724	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-H"	-1.007276
"59501"	984.139271	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M-2H+NH4"	16.019271
"494686"	1468.199271	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M-2H+NH4"	16.019271
"879258"	500.079271	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-2H+NH4"	16.019271
"44643"	989.094666	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M-2H+Na"	20.974666
"485913"	1473.154666	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M-2H+Na"	20.974666
"862498"	505.034666	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-2H+Na"	20.974666
"1633120"	505.034666	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Na-2H"	20.974666
"107106"	501.041063	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M-H+Cl"	33.962126
"548488"	743.071063	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M-H+Cl"	33.962126
"941395"	259.011063	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-H+Cl"	33.962126
"279463"	1003.089402	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+Cl"	34.969402
"672248"	1487.149402	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+Cl"	34.969402
"1287203"	519.029402	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Cl"	34.969402
"26115"	1005.068606	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M-2H+K"	36.948606
"462395"	1489.128606	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M-2H+K"	36.948606
"839101"	521.008606	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-2H+K"	36.948606
"1560405"	521.008606	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+K-2H"	36.948606
"945008"	529.058194	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-H+HCOOH"	44.998194
"369786"	1013.118201	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+HCOOH-H"	44.998201
"352575"	1027.133851	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+Hac-H"	59.013851
"1497036"	543.073851	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Hac-H"	59.013851
"964577"	551.040151	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-H+NaCOOH"	66.980151
"115672"	519.029402	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+2Cl"	69.938804
"562523"	761.059402	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+2Cl"	69.938804
"1031686"	276.999402	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2Cl"	69.938804
"1252358"	562.978885	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Br"	78.918885
"1315537"	565.034872	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Cl+HCOOH"	80.974872
"1331575"	587.016829	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Cl+NaCOOH"	102.956829
"923726"	597.045586	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M-H+CF3COOH"	112.985586
"1297882"	633.022264	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Cl+CF3COOH"	148.962264
"1379325"	449.047324	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H-2H2O"	-35.012676
"1394273"	467.0573	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H-H2O"	-17.0027
"293230"	969.127276	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+H"	1.007276
"684557"	1453.187276	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+H"	1.007276
"1363093"	485.067276	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H"	1.007276
"133794"	485.067276	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+2H"	2.014552
"577733"	727.097276	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+2H"	2.014552
"1045441"	243.037276	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2H"	2.014552
"215530"	323.713942666667	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+3H"	3.021828
"652902"	485.067276	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+3H"	3.021828
"1171028"	162.360609333333	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+3H"	3.021828
"433207"	986.153823	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+NH4"	18.033823
"792380"	1470.213823	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+NH4"	18.033823
"1686523"	502.093823	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+NH4"	18.033823
"334070"	493.5805495	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+H+NH4"	19.041099
"726492"	735.6105495	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+H+NH4"	19.041099
"1479583"	251.5505495	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H+NH4"	19.041099
"399356"	991.109218	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+Na"	22.989218
"757071"	1475.169218	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+Na"	22.989218
"1613918"	507.049218	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Na"	22.989218
"317033"	496.058247	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+H+Na"	23.996494
"709085"	738.088247	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+H+Na"	23.996494
"1463513"	254.028247	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H+Na"	23.996494
"1060163"	169.687923333333	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2H+Na"	25.00377
"1260020"	517.093486	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+CH3OH+H"	33.033486
"379688"	1007.083158	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+K"	38.963158
"740683"	1491.143158	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+K"	38.963158
"1543466"	523.023158	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+K"	38.963158
"300276"	504.045217	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+H+K"	39.970434
"693796"	746.075217	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+H+K"	39.970434
"1456737"	262.015217	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H+K"	39.970434
"243149"	1010.153826	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+ACN+H"	42.033826
"1220236"	526.093826	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+ACN+H"	42.033826
"1201932"	263.550551	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+ACN+2H"	43.041102
"193709"	1013.09116	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+2Na-H"	44.97116
"639832"	1497.15116	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+2Na-H"	44.97116
"1136773"	529.03116	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2Na-H"	44.97116
"176417"	507.049218	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+2Na"	45.978436
"612984"	749.079218	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+2Na"	45.978436
"1128724"	265.019218	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2Na"	45.978436
"1408843"	177.015237333333	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H+2Na"	46.985712
"1434397"	531.072746	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H+HCOOH"	47.012746
"229560"	512.08224	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+3H2O+2H"	56.04448
"1518719"	545.12479	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+IsoProp+H"	61.06479
"417311"	515.036188	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+Na+K"	61.952376
"779399"	757.066188	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+Na+K"	61.952376
"1675728"	273.006188	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Na+K"	61.952376
"254593"	1032.135768	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+ACN+Na"	64.015768
"1229489"	548.075768	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+ACN+Na"	64.015768
"1720933"	548.099293	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+NH4+HCOOH"	64.039293
"1187381"	184.342551333333	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+3Na"	68.967654
"1655086"	553.054688	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Na+HCOOH"	68.994688
"171442"	1045.03904	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+2K-H"	76.91904
"612099"	1529.09904	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+2K-H"	76.91904
"1098921"	560.97904	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2K-H"	76.91904
"156221"	523.023158	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"2M+2K"	77.926316
"594441"	765.053158	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"3M+2K"	77.926316
"1076401"	280.993158	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2K"	77.926316
"1111799"	562.993592	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2K+H"	78.933592
"1344902"	563.081207	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+DMSO+H"	79.021207
"1017805"	567.120376	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2ACN+H"	83.060376
"1538116"	568.114008	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+IsoProp+Na+H"	84.054008
"1003469"	284.063826	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+2ACN+2H"	84.067652
"1599065"	569.028628	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+K+HCOOH"	84.968628
"1428005"	599.060138	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+H+CF3COOH"	115.000138
"1162309"	304.577101	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+3ACN+2H"	125.094202
"1711496"	616.086685	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+NH4+CF3COOH"	132.026685
"1649578"	621.04208	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+Na+CF3COOH"	136.98208
"1583523"	637.01602	"C13968"	"Cefamandole sodium"	"C18H17N6O5S2Na"	"484.06"	"M+K+CF3COOH"	152.95602
"812797"	420.0967	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M"	0
"989450"	401.07831	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-H2O-H"	-19.01839
"65098"	279.057190666667	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M-3H"	-3.021828
"510856"	419.089424	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M-3H"	-3.021828
"887565"	139.024957333333	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-3H"	-3.021828
"5052"	419.089424	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M-2H"	-2.014552
"451174"	629.137774	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M-2H"	-2.014552
"824600"	209.041074	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-2H"	-2.014552
"86779"	839.186124	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M-H"	-1.007276
"530716"	1259.282824	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M-H"	-1.007276
"904143"	419.089424	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-H"	-1.007276
"58518"	856.212671	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M-2H+NH4"	16.019271
"494796"	1276.309371	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M-2H+NH4"	16.019271
"878561"	436.115971	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-2H+NH4"	16.019271
"43781"	861.168066	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M-2H+Na"	20.974666
"486714"	1281.264766	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M-2H+Na"	20.974666
"862974"	441.071366	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-2H+Na"	20.974666
"1633110"	441.071366	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Na-2H"	20.974666
"108919"	437.077763	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M-H+Cl"	33.962126
"549452"	647.126113	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M-H+Cl"	33.962126
"941870"	227.029413	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-H+Cl"	33.962126
"282007"	875.162802	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+Cl"	34.969402
"675200"	1295.259502	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+Cl"	34.969402
"1287683"	455.066102	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Cl"	34.969402
"28412"	877.142006	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M-2H+K"	36.948606
"466879"	1297.238706	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M-2H+K"	36.948606
"842492"	457.045306	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-2H+K"	36.948606
"1562702"	457.045306	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+K-2H"	36.948606
"951678"	465.094894	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-H+HCOOH"	44.998194
"369896"	885.191601	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+HCOOH-H"	44.998201
"354872"	899.207251	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+Hac-H"	59.013851
"1500426"	479.110551	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Hac-H"	59.013851
"966874"	487.076851	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-H+NaCOOH"	66.980151
"115782"	455.066102	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+2Cl"	69.938804
"557531"	665.114452	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+2Cl"	69.938804
"1031796"	245.017752	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2Cl"	69.938804
"1255748"	499.015585	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Br"	78.918885
"1313823"	501.071572	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Cl+HCOOH"	80.974872
"1329131"	523.053529	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Cl+NaCOOH"	102.956829
"914721"	533.082286	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M-H+CF3COOH"	112.985586
"1297992"	569.058964	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Cl+CF3COOH"	148.962264
"1375059"	385.084024	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H-2H2O"	-35.012676
"1396934"	403.094	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H-H2O"	-17.0027
"295527"	841.200676	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+H"	1.007276
"689041"	1261.297376	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+H"	1.007276
"1364297"	421.103976	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H"	1.007276
"134998"	421.103976	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+2H"	2.014552
"578938"	631.152326	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+2H"	2.014552
"1045552"	211.055626	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2H"	2.014552
"217706"	281.071742666667	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+3H"	3.021828
"655200"	421.103976	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+3H"	3.021828
"1171503"	141.039509333333	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+3H"	3.021828
"434411"	858.227223	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+NH4"	18.033823
"795407"	1278.323923	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+NH4"	18.033823
"1690643"	438.130523	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+NH4"	18.033823
"337827"	429.6172495	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+H+NH4"	19.041099
"730248"	639.6655995	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+H+NH4"	19.041099
"1487348"	219.5688995	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H+NH4"	19.041099
"404934"	863.182618	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+Na"	22.989218
"763743"	1283.279318	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+Na"	22.989218
"1617187"	443.085918	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Na"	22.989218
"316778"	432.094947	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+H+Na"	23.996494
"710657"	642.143297	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+H+Na"	23.996494
"1470310"	222.046597	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H+Na"	23.996494
"1067201"	148.366823333333	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2H+Na"	25.00377
"1261953"	453.130186	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+CH3OH+H"	33.033486
"382715"	879.156558	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+K"	38.963158
"744803"	1299.253258	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+K"	38.963158
"1546856"	459.059858	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+K"	38.963158
"304032"	440.081917	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+H+K"	39.970434
"694635"	650.130267	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+H+K"	39.970434
"1457940"	230.033567	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H+K"	39.970434
"242165"	882.227226	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+ACN+H"	42.033826
"1217066"	462.130526	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+ACN+H"	42.033826
"1203135"	231.568901	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+ACN+2H"	43.041102
"196005"	885.16456	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+2Na-H"	44.97116
"639941"	1305.26126	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+2Na-H"	44.97116
"1134331"	465.06786	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2Na-H"	44.97116
"176163"	443.085918	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+2Na"	45.978436
"613328"	653.134268	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+2Na"	45.978436
"1129319"	233.037568	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2Na"	45.978436
"1408589"	155.694137333333	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H+2Na"	46.985712
"1437787"	467.109446	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H+HCOOH"	47.012746
"233316"	448.11894	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+3H2O+2H"	56.04448
"1517368"	481.16149	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+IsoProp+H"	61.06479
"420701"	451.072888	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+Na+K"	61.952376
"781696"	661.121238	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+Na+K"	61.952376
"1673652"	241.024538	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Na+K"	61.952376
"256891"	904.209168	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+ACN+Na"	64.015768
"1225953"	484.112468	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+ACN+Na"	64.015768
"1725052"	484.135993	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+NH4+HCOOH"	64.039293
"1189677"	163.021451333333	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+3Na"	68.967654
"1655196"	489.091388	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Na+HCOOH"	68.994688
"171552"	917.11244	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+2K-H"	76.91904
"611966"	1337.20914	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+2K-H"	76.91904
"1098540"	497.01574	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2K-H"	76.91904
"156454"	459.059858	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"2M+2K"	77.926316
"595889"	669.108208	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"3M+2K"	77.926316
"1078698"	249.011508	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2K"	77.926316
"1110816"	499.030292	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2K+H"	78.933592
"1343919"	499.117907	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+DMSO+H"	79.021207
"1019009"	503.157076	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2ACN+H"	83.060376
"1534946"	504.150708	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+IsoProp+Na+H"	84.054008
"999205"	252.082176	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+2ACN+2H"	84.067652
"1601849"	505.065328	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+K+HCOOH"	84.968628
"1427021"	535.096838	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+H+CF3COOH"	115.000138
"1160595"	272.595451	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+3ACN+2H"	125.094202
"1711606"	552.123385	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+NH4+CF3COOH"	132.026685
"1648715"	557.07878	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+Na+CF3COOH"	136.98208
"1583633"	573.05272	"C13973"	"Methicillin sodium;Meticillin sodium;Sodium methicillin monohydrate"	"C17H19N2O6SNaH2O"	"420.0967"	"M+K+CF3COOH"	152.95602
"812907"	922.367	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M"	0
"989401"	903.34861	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-H2O-H"	-19.01839
"64844"	613.904057333333	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M-3H"	-3.021828
"507686"	921.359724	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M-3H"	-3.021828
"885488"	306.448390666667	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-3H"	-3.021828
"7350"	921.359724	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M-2H"	-2.014552
"452377"	1382.543224	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M-2H"	-2.014552
"824712"	460.176224	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-2H"	-2.014552
"89077"	1843.726724	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M-H"	-1.007276
"533749"	2766.093724	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M-H"	-1.007276
"905347"	921.359724	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-H"	-1.007276
"60815"	1860.753271	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M-2H+NH4"	16.019271
"494906"	2783.120271	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M-2H+NH4"	16.019271
"879520"	938.386271	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-2H+NH4"	16.019271
"42798"	1865.708666	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M-2H+Na"	20.974666
"476889"	2788.075666	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M-2H+Na"	20.974666
"863329"	943.341666	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-2H+Na"	20.974666
"1632490"	943.341666	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Na-2H"	20.974666
"107692"	939.348063	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M-H+Cl"	33.962126
"547981"	1400.531563	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M-H+Cl"	33.962126
"936032"	478.164563	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-H+Cl"	33.962126
"281390"	1879.703402	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+Cl"	34.969402
"673927"	2802.070402	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+Cl"	34.969402
"1285965"	957.336402	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Cl"	34.969402
"28523"	1881.682606	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M-2H+K"	36.948606
"462616"	2804.049606	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M-2H+K"	36.948606
"837137"	959.315606	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-2H+K"	36.948606
"1563908"	959.315606	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+K-2H"	36.948606
"950695"	967.365194	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-H+HCOOH"	44.998194
"368915"	1889.732201	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+HCOOH-H"	44.998201
"351703"	1903.747851	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+Hac-H"	59.013851
"1498350"	981.380851	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Hac-H"	59.013851
"961520"	989.347151	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-H+NaCOOH"	66.980151
"115893"	957.336402	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+2Cl"	69.938804
"553266"	1418.519902	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+2Cl"	69.938804
"1023523"	496.152902	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2Cl"	69.938804
"1253671"	1001.285885	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Br"	78.918885
"1308464"	1003.341872	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Cl+HCOOH"	80.974872
"1322681"	1025.323829	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Cl+NaCOOH"	102.956829
"918113"	1035.352586	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M-H+CF3COOH"	112.985586
"1298102"	1071.329264	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Cl+CF3COOH"	148.962264
"1375169"	887.354324	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H-2H2O"	-35.012676
"1396316"	905.3643	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H-H2O"	-17.0027
"293453"	1845.741276	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+H"	1.007276
"690611"	2768.108276	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+H"	1.007276
"1362221"	923.374276	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H"	1.007276
"138389"	923.374276	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+2H"	2.014552
"575768"	1384.557776	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+2H"	2.014552
"1040558"	462.190776	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2H"	2.014552
"210647"	615.918609333333	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+3H"	3.021828
"658469"	923.374276	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+3H"	3.021828
"1172343"	308.462942666667	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+3H"	3.021828
"435615"	1862.767823	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+NH4"	18.033823
"799893"	2785.134823	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+NH4"	18.033823
"1688567"	940.400823	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+NH4"	18.033823
"337938"	931.8875495	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+H+NH4"	19.041099
"735825"	1393.0710495	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+H+NH4"	19.041099
"1490740"	470.7040495	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H+NH4"	19.041099
"407598"	1867.723218	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+Na"	22.989218
"767134"	2790.090218	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+Na"	22.989218
"1613046"	945.356218	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Na"	22.989218
"328917"	934.365247	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+H+Na"	23.996494
"713322"	1395.548747	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+H+Na"	23.996494
"1475888"	473.181747	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H+Na"	23.996494
"1062571"	315.790256666667	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2H+Na"	25.00377
"1265344"	955.400486	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+CH3OH+H"	33.033486
"385012"	1883.697158	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+K"	38.963158
"744914"	2806.064158	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+K"	38.963158
"1545874"	961.330158	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+K"	38.963158
"307423"	942.352217	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+H+K"	39.970434
"693287"	1403.535717	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+H+K"	39.970434
"1458050"	481.168717	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H+K"	39.970434
"243368"	1886.767826	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+ACN+H"	42.033826
"1217176"	964.400826	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+ACN+H"	42.033826
"1203245"	482.704051	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+ACN+2H"	43.041102
"195021"	1889.70516	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+2Na-H"	44.97116
"640051"	2812.07216	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+2Na-H"	44.97116
"1135170"	967.33816	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2Na-H"	44.97116
"176273"	945.356218	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+2Na"	45.978436
"615831"	1406.539718	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+2Na"	45.978436
"1129550"	484.172718	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2Na"	45.978436
"1407970"	323.117570666667	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H+2Na"	46.985712
"1440813"	969.379746	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H+HCOOH"	47.012746
"232332"	950.38924	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+3H2O+2H"	56.04448
"1517843"	983.43179	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+IsoProp+H"	61.06479
"419718"	953.343188	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+Na+K"	61.952376
"781806"	1414.526688	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+Na+K"	61.952376
"1672667"	492.159688	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Na+K"	61.952376
"257001"	1908.749768	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+ACN+Na"	64.015768
"1227522"	986.382768	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+ACN+Na"	64.015768
"1722246"	986.406293	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+NH4+HCOOH"	64.039293
"1183591"	330.444884666667	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+3Na"	68.967654
"1655306"	991.361688	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Na+HCOOH"	68.994688
"171902"	1921.65304	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+2K-H"	76.91904
"610858"	2844.02004	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+2K-H"	76.91904
"1097192"	999.28604	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2K-H"	76.91904
"155831"	961.330158	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"2M+2K"	77.926316
"591016"	1422.513658	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"3M+2K"	77.926316
"1076621"	500.146658	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2K"	77.926316
"1113113"	1001.300592	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2K+H"	78.933592
"1345122"	1001.388207	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+DMSO+H"	79.021207
"1016932"	1005.427376	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2ACN+H"	83.060376
"1527401"	1006.421008	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+IsoProp+Na+H"	84.054008
"992754"	503.217326	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+2ACN+2H"	84.067652
"1590538"	1007.335628	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+K+HCOOH"	84.968628
"1417290"	1037.367138	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+H+CF3COOH"	115.000138
"1161073"	523.730601	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+3ACN+2H"	125.094202
"1710988"	1054.393685	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+NH4+CF3COOH"	132.026685
"1645907"	1059.34908	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+Na+CF3COOH"	136.98208
"1583743"	1075.32302	"C13974"	"Vincristine sulfate"	"C46H56N4O10H2SO4"	"922.367"	"M+K+CF3COOH"	152.95602
"811924"	476.1018	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M"	0
"988738"	457.08341	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-H2O-H"	-19.01839
"64953"	316.393924	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M-3H"	-3.021828
"511074"	475.094524	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M-3H"	-3.021828
"885596"	157.693324	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-3H"	-3.021828
"8553"	475.094524	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M-2H"	-2.014552
"451394"	713.145424	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M-2H"	-2.014552
"824822"	237.043624	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-2H"	-2.014552
"89187"	951.196324	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M-H"	-1.007276
"534171"	1427.298124	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M-H"	-1.007276
"905457"	475.094524	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-H"	-1.007276
"60683"	968.222871	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M-2H+NH4"	16.019271
"495016"	1444.324671	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M-2H+NH4"	16.019271
"879808"	492.121071	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-2H+NH4"	16.019271
"40721"	973.178266	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M-2H+Na"	20.974666
"476999"	1449.280066	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M-2H+Na"	20.974666
"863969"	497.076466	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-2H+Na"	20.974666
"1632963"	497.076466	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Na-2H"	20.974666
"108897"	493.082863	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M-H+Cl"	33.962126
"548942"	731.133763	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M-H+Cl"	33.962126
"936871"	255.031963	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-H+Cl"	33.962126
"281499"	987.173002	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+Cl"	34.969402
"674401"	1463.274802	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+Cl"	34.969402
"1286075"	511.071202	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Cl"	34.969402
"27540"	989.152206	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M-2H+K"	36.948606
"459445"	1465.254006	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M-2H+K"	36.948606
"840527"	513.050406	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-2H+K"	36.948606
"1562925"	513.050406	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+K-2H"	36.948606
"948618"	521.099994	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-H+HCOOH"	44.998194
"366838"	997.201801	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+HCOOH-H"	44.998201
"347439"	1011.217451	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+Hac-H"	59.013851
"1498460"	535.115651	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Hac-H"	59.013851
"964180"	543.081951	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-H+NaCOOH"	66.980151
"114910"	511.071202	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+2Cl"	69.938804
"552647"	749.122102	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+2Cl"	69.938804
"1022903"	273.020302	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2Cl"	69.938804
"1249407"	555.020685	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Br"	78.918885
"1306751"	557.076672	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Cl+HCOOH"	80.974872
"1322061"	579.058629	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Cl+NaCOOH"	102.956829
"914943"	589.087386	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M-H+CF3COOH"	112.985586
"1296025"	625.064064	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Cl+CF3COOH"	148.962264
"1375279"	441.089124	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H-2H2O"	-35.012676
"1396062"	459.0991	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H-H2O"	-17.0027
"294656"	953.210876	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+H"	1.007276
"689264"	1429.312676	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+H"	1.007276
"1362331"	477.109076	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H"	1.007276
"137406"	477.109076	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+2H"	2.014552
"574783"	715.159976	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+2H"	2.014552
"1038480"	239.058176	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2H"	2.014552
"208569"	318.408476	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+3H"	3.021828
"656512"	477.109076	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+3H"	3.021828
"1172453"	159.707876	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+3H"	3.021828
"436454"	970.237423	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+NH4"	18.033823
"798909"	1446.339223	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+NH4"	18.033823
"1687948"	494.135623	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+NH4"	18.033823
"336955"	485.6223495	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+H+NH4"	19.041099
"734842"	723.6732495	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+H+NH4"	19.041099
"1490849"	247.5714495	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H+NH4"	19.041099
"406978"	975.192818	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+Na"	22.989218
"767244"	1451.294618	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+Na"	22.989218
"1613154"	499.091018	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Na"	22.989218
"328541"	488.100047	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+H+Na"	23.996494
"718899"	726.150947	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+H+Na"	23.996494
"1472717"	250.049147	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H+Na"	23.996494
"1062681"	167.03519	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2H+Na"	25.00377
"1264360"	509.135286	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+CH3OH+H"	33.033486
"385122"	991.166758	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+K"	38.963158
"745024"	1467.268558	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+K"	38.963158
"1547077"	515.064958	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+K"	38.963158
"308626"	496.087017	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+H+K"	39.970434
"692789"	734.137917	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+H+K"	39.970434
"1458889"	258.036117	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H+K"	39.970434
"242385"	994.237426	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+ACN+H"	42.033826
"1220566"	518.135626	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+ACN+H"	42.033826
"1205542"	259.571451	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+ACN+2H"	43.041102
"194038"	997.17476	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+2Na-H"	44.97116
"639068"	1473.27656	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+2Na-H"	44.97116
"1133458"	521.07296	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2Na-H"	44.97116
"175048"	499.091018	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+2Na"	45.978436
"617036"	737.141918	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+2Na"	45.978436
"1129296"	261.040118	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2Na"	45.978436
"1408080"	174.362504	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H+2Na"	46.985712
"1438007"	523.114546	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H+HCOOH"	47.012746
"232078"	504.12404	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+3H2O+2H"	56.04448
"1518682"	537.16659	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+IsoProp+H"	61.06479
"419100"	507.077988	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+Na+K"	61.952376
"781551"	745.128888	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+Na+K"	61.952376
"1672777"	269.027088	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Na+K"	61.952376
"257111"	1016.219368	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+ACN+Na"	64.015768
"1226415"	540.117568	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+ACN+Na"	64.015768
"1719076"	540.141093	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+NH4+HCOOH"	64.039293
"1183337"	181.689818	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+3Na"	68.967654
"1652500"	545.096488	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Na+HCOOH"	68.994688
"172256"	1029.12264	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+2K-H"	76.91904
"610238"	1505.22444	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+2K-H"	76.91904
"1095843"	553.02084	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2K-H"	76.91904
"155941"	515.064958	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"2M+2K"	77.926316
"591126"	753.115858	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"3M+2K"	77.926316
"1078918"	277.014058	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2K"	77.926316
"1109943"	555.035392	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2K+H"	78.933592
"1344139"	555.123007	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+DMSO+H"	79.021207
"1014856"	559.162176	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2ACN+H"	83.060376
"1528605"	560.155808	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+IsoProp+Na+H"	84.054008
"991163"	280.084726	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+2ACN+2H"	84.067652
"1589555"	561.070428	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+K+HCOOH"	84.968628
"1417400"	591.101938	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+H+CF3COOH"	115.000138
"1160454"	300.598001	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+3ACN+2H"	125.094202
"1711826"	608.128485	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+NH4+CF3COOH"	132.026685
"1646017"	613.08388	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+Na+CF3COOH"	136.98208
"1583853"	629.05782	"C13976"	"Carfecillin sodium;Carbenicillin phenyl sodium"	"C23H21N2O6SNa"	"476.1018"	"M+K+CF3COOH"	152.95602
"816979"	517.1074	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M"	0
"989885"	498.08901	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-H2O-H"	-19.01839
"74905"	343.730990666667	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M-3H"	-3.021828
"513371"	516.100124	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M-3H"	-3.021828
"885707"	171.361857333333	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-3H"	-3.021828
"13037"	516.100124	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M-2H"	-2.014552
"452963"	774.653824	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M-2H"	-2.014552
"831130"	257.546424	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-2H"	-2.014552
"90391"	1033.207524	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M-H"	-1.007276
"533849"	1550.314924	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M-H"	-1.007276
"910794"	516.100124	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-H"	-1.007276
"60793"	1050.234071	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M-2H+NH4"	16.019271
"497313"	1567.341471	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M-2H+NH4"	16.019271
"879702"	533.126671	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-2H+NH4"	16.019271
"44111"	1055.189466	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M-2H+Na"	20.974666
"477109"	1572.296866	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M-2H+Na"	20.974666
"864195"	538.082066	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-2H+Na"	20.974666
"1634053"	538.082066	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Na-2H"	20.974666
"108640"	534.088463	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M-H+Cl"	33.962126
"549458"	792.642163	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M-H+Cl"	33.962126
"937346"	275.534763	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-H+Cl"	33.962126
"282736"	1069.184202	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+Cl"	34.969402
"675649"	1586.291602	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+Cl"	34.969402
"1286186"	552.076802	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Cl"	34.969402
"31288"	1071.163406	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M-2H+K"	36.948606
"467210"	1588.270806	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M-2H+K"	36.948606
"839544"	554.056006	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-2H+K"	36.948606
"1568503"	554.056006	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+K-2H"	36.948606
"954197"	562.105594	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-H+HCOOH"	44.998194
"373508"	1079.213001	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+HCOOH-H"	44.998201
"353017"	1093.228651	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+Hac-H"	59.013851
"1501852"	576.121251	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Hac-H"	59.013851
"967207"	584.087551	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-H+NaCOOH"	66.980151
"118300"	552.076802	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+2Cl"	69.938804
"560048"	810.630502	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+2Cl"	69.938804
"1025932"	293.523102	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2Cl"	69.938804
"1246602"	596.026285	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Br"	78.918885
"1308320"	598.082272	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Cl+HCOOH"	80.974872
"1321077"	620.064229	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Cl+NaCOOH"	102.956829
"912985"	630.092986	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M-H+CF3COOH"	112.985586
"1296135"	666.069664	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Cl+CF3COOH"	148.962264
"1372109"	482.094724	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H-2H2O"	-35.012676
"1396168"	500.1047	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H-H2O"	-17.0027
"292573"	1035.222076	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+H"	1.007276
"691334"	1552.329476	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+H"	1.007276
"1362441"	518.114676	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H"	1.007276
"137516"	518.114676	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+2H"	2.014552
"575983"	776.668376	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+2H"	2.014552
"1045152"	259.560976	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2H"	2.014552
"214877"	345.745542666667	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+3H"	3.021828
"656622"	518.114676	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+3H"	3.021828
"1168918"	173.376409333333	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+3H"	3.021828
"435836"	1052.248623	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+NH4"	18.033823
"800112"	1569.356023	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+NH4"	18.033823
"1688787"	535.141223	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+NH4"	18.033823
"342531"	526.6279495	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+H+NH4"	19.041099
"732764"	785.1816495	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+H+NH4"	19.041099
"1490961"	268.0742495	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H+NH4"	19.041099
"399800"	1057.204018	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+Na"	22.989218
"768448"	1574.311418	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+Na"	22.989218
"1613265"	540.096618	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Na"	22.989218
"327677"	529.105647	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+H+Na"	23.996494
"717912"	787.659347	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+H+Na"	23.996494
"1464082"	270.551947	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H+Na"	23.996494
"1058420"	180.703723333333	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2H+Na"	25.00377
"1260461"	550.140886	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+CH3OH+H"	33.033486
"381952"	1073.177958	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+K"	38.963158
"745132"	1590.285358	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+K"	38.963158
"1545003"	556.070558	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+K"	38.963158
"304362"	537.092617	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+H+K"	39.970434
"692775"	795.646317	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+H+K"	39.970434
"1459364"	278.538917	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H+K"	39.970434
"245777"	1076.248626	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+ACN+H"	42.033826
"1222135"	559.141226	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+ACN+H"	42.033826
"1205289"	280.074251	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+ACN+2H"	43.041102
"196335"	1079.18596	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+2Na-H"	44.97116
"638814"	1596.29336	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+2Na-H"	44.97116
"1137215"	562.07856	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2Na-H"	44.97116
"177586"	540.096618	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+2Na"	45.978436
"614227"	798.650318	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+2Na"	45.978436
"1129042"	281.542918	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2Na"	45.978436
"1414110"	188.031037333333	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H+2Na"	46.985712
"1440305"	564.120146	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H+HCOOH"	47.012746
"234377"	545.12964	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+3H2O+2H"	56.04448
"1516969"	578.17219	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+IsoProp+H"	61.06479
"415562"	548.083588	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+Na+K"	61.952376
"778382"	806.637288	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+Na+K"	61.952376
"1672888"	289.529888	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Na+K"	61.952376
"253576"	1098.230568	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+ACN+Na"	64.015768
"1227376"	581.123168	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+ACN+Na"	64.015768
"1719915"	581.146693	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+NH4+HCOOH"	64.039293
"1183083"	195.358351333333	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+3Na"	68.967654
"1660630"	586.102088	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Na+HCOOH"	68.994688
"170664"	1111.13384	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+2K-H"	76.91904
"611442"	1628.24124	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+2K-H"	76.91904
"1099692"	594.02644	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2K-H"	76.91904
"155930"	556.070558	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"2M+2K"	77.926316
"595369"	814.624258	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"3M+2K"	77.926316
"1082918"	297.516858	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2K"	77.926316
"1111145"	596.040992	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2K+H"	78.933592
"1344248"	596.128607	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+DMSO+H"	79.021207
"1012778"	600.167776	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2ACN+H"	83.060376
"1535276"	601.161408	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+IsoProp+Na+H"	84.054008
"994068"	300.587526	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+2ACN+2H"	84.067652
"1596224"	602.076028	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+K+HCOOH"	84.968628
"1422978"	632.107538	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+H+CF3COOH"	115.000138
"1159825"	321.100801	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+3ACN+2H"	125.094202
"1711571"	649.134085	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+NH4+CF3COOH"	132.026685
"1646127"	654.08948	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+Na+CF3COOH"	136.98208
"1583963"	670.06342	"C13978"	"Talampicillin hydrochloride"	"C24H23N3O6SHCl"	"517.1074"	"M+K+CF3COOH"	152.95602
"812144"	427.0968	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M"	0
"988837"	408.07841	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-H2O-H"	-19.01839
"65172"	283.723924	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M-3H"	-3.021828
"505827"	426.089524	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M-3H"	-3.021828
"882900"	141.358324	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-3H"	-3.021828
"8773"	426.089524	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M-2H"	-2.014552
"455546"	639.637924	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M-2H"	-2.014552
"831604"	212.541124	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-2H"	-2.014552
"90501"	853.186324	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M-H"	-1.007276
"532860"	1280.283124	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M-H"	-1.007276
"905678"	426.089524	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-H"	-1.007276
"57864"	870.212871	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M-2H+NH4"	16.019271
"490863"	1297.309671	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M-2H+NH4"	16.019271
"878023"	443.116071	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-2H+NH4"	16.019271
"43127"	875.168266	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M-2H+Na"	20.974666
"479406"	1302.265066	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M-2H+Na"	20.974666
"863654"	448.071466	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-2H+Na"	20.974666
"1633796"	448.071466	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Na-2H"	20.974666
"109919"	444.077863	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M-H+Cl"	33.962126
"549039"	657.626263	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M-H+Cl"	33.962126
"942432"	230.529463	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-H+Cl"	33.962126
"282568"	889.163002	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+Cl"	34.969402
"674621"	1316.259802	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+Cl"	34.969402
"1286296"	462.066202	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Cl"	34.969402
"30802"	891.142206	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M-2H+K"	36.948606
"468413"	1318.239006	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M-2H+K"	36.948606
"840747"	464.045406	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-2H+K"	36.948606
"1569342"	464.045406	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+K-2H"	36.948606
"955400"	472.094994	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-H+HCOOH"	44.998194
"373618"	899.191801	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+HCOOH-H"	44.998201
"353127"	913.207451	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+Hac-H"	59.013851
"1504149"	486.110651	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Hac-H"	59.013851
"967317"	494.076951	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-H+NaCOOH"	66.980151
"117317"	462.066202	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+2Cl"	69.938804
"560158"	675.614602	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+2Cl"	69.938804
"1026042"	248.517802	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2Cl"	69.938804
"1246348"	506.015685	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Br"	78.918885
"1307702"	508.071672	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Cl+HCOOH"	80.974872
"1324103"	530.053629	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Cl+NaCOOH"	102.956829
"915161"	540.082386	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M-H+CF3COOH"	112.985586
"1296245"	576.059064	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Cl+CF3COOH"	148.962264
"1372219"	392.084124	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H-2H2O"	-35.012676
"1395185"	410.0941	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H-H2O"	-17.0027
"292683"	855.200876	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+H"	1.007276
"689119"	1282.297676	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+H"	1.007276
"1362551"	428.104076	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H"	1.007276
"136533"	428.104076	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+2H"	2.014552
"579373"	641.652476	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+2H"	2.014552
"1047080"	214.555676	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2H"	2.014552
"214985"	285.738476	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+3H"	3.021828
"652356"	428.104076	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+3H"	3.021828
"1168300"	143.372876	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+3H"	3.021828
"437038"	872.227423	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+NH4"	18.033823
"796942"	1299.324223	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+NH4"	18.033823
"1689990"	445.130623	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+NH4"	18.033823
"343734"	436.6173495	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+H+NH4"	19.041099
"732874"	650.1657495	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+H+NH4"	19.041099
"1489978"	223.0689495	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H+NH4"	19.041099
"403190"	877.182818	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+Na"	22.989218
"766739"	1304.279618	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+Na"	22.989218
"1617025"	450.086018	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Na"	22.989218
"326693"	439.095047	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+H+Na"	23.996494
"719847"	652.643447	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+H+Na"	23.996494
"1465285"	225.546647	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H+Na"	23.996494
"1059623"	150.70019	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2H+Na"	25.00377
"1261301"	460.130286	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+CH3OH+H"	33.033486
"386437"	893.156758	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+K"	38.963158
"746337"	1320.253558	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+K"	38.963158
"1542928"	466.059958	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+K"	38.963158
"306660"	447.082017	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+H+K"	39.970434
"691791"	660.630417	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+H+K"	39.970434
"1459474"	233.533617	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H+K"	39.970434
"244792"	896.227426	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+ACN+H"	42.033826
"1221881"	469.130626	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+ACN+H"	42.033826
"1205035"	235.068951	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+ACN+2H"	43.041102
"198268"	899.16476	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+2Na-H"	44.97116
"638924"	1326.26156	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+2Na-H"	44.97116
"1137325"	472.06796	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2Na-H"	44.97116
"174054"	450.086018	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+2Na"	45.978436
"614703"	663.634418	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+2Na"	45.978436
"1129516"	236.537618	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2Na"	45.978436
"1414059"	158.027504	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H+2Na"	46.985712
"1440415"	474.109546	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H+HCOOH"	47.012746
"231935"	455.11904	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+3H2O+2H"	56.04448
"1515985"	488.16159	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+IsoProp+H"	61.06479
"413486"	458.072988	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+Na+K"	61.952376
"777763"	671.621388	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+Na+K"	61.952376
"1672998"	244.524588	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Na+K"	61.952376
"253322"	918.209368	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+ACN+Na"	64.015768
"1225664"	491.112568	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+ACN+Na"	64.015768
"1719296"	491.136093	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+NH4+HCOOH"	64.039293
"1183190"	165.354818	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+3Na"	68.967654
"1659647"	496.091488	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Na+HCOOH"	68.994688
"171867"	931.11264	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+2K-H"	76.91904
"612288"	1358.20944	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+2K-H"	76.91904
"1099552"	504.01584	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2K-H"	76.91904
"157118"	466.059958	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"2M+2K"	77.926316
"596330"	679.608358	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"3M+2K"	77.926316
"1084086"	252.511558	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2K"	77.926316
"1111255"	506.030392	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2K+H"	78.933592
"1344358"	506.118007	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+DMSO+H"	79.021207
"1013981"	510.157176	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2ACN+H"	83.060376
"1535386"	511.150808	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+IsoProp+Na+H"	84.054008
"995272"	255.582226	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+2ACN+2H"	84.067652
"1598521"	512.065428	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+K+HCOOH"	84.968628
"1418713"	542.096938	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+H+CF3COOH"	115.000138
"1158842"	276.095501	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+3ACN+2H"	125.094202
"1711681"	559.123485	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+NH4+CF3COOH"	132.026685
"1646237"	564.07888	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+Na+CF3COOH"	136.98208
"1584073"	580.05282	"C13980"	"Hetacillin potassium"	"C19H22N3O4SK"	"427.0968"	"M+K+CF3COOH"	152.95602
"813347"	385.1205	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M"	0
"989555"	366.10211	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-H2O-H"	-19.01839
"68561"	255.739724	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M-3H"	-3.021828
"507029"	384.113224	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M-3H"	-3.021828
"882645"	127.366224	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-3H"	-3.021828
"5603"	384.113224	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M-2H"	-2.014552
"450631"	576.673474	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M-2H"	-2.014552
"827339"	191.552974	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-2H"	-2.014552
"87329"	769.233724	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M-H"	-1.007276
"531267"	1154.354224	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M-H"	-1.007276
"908704"	384.113224	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-H"	-1.007276
"55787"	786.260271	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M-2H+NH4"	16.019271
"494253"	1171.380771	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M-2H+NH4"	16.019271
"874243"	401.139771	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-2H+NH4"	16.019271
"39956"	791.215666	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M-2H+Na"	20.974666
"479515"	1176.336166	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M-2H+Na"	20.974666
"863033"	406.095166	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-2H+Na"	20.974666
"1630133"	406.095166	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Na-2H"	20.974666
"108735"	402.101563	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M-H+Cl"	33.962126
"548786"	594.661813	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M-H+Cl"	33.962126
"939742"	209.541313	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-H+Cl"	33.962126
"281216"	805.210402	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+Cl"	34.969402
"673881"	1190.330902	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+Cl"	34.969402
"1286041"	420.089902	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Cl"	34.969402
"30061"	807.189606	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M-2H+K"	36.948606
"466336"	1192.310106	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M-2H+K"	36.948606
"837576"	422.069106	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-2H+K"	36.948606
"1566532"	422.069106	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+K-2H"	36.948606
"951136"	430.118694	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-H+HCOOH"	44.998194
"370445"	815.239201	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+HCOOH-H"	44.998201
"351050"	829.254851	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+Hac-H"	59.013851
"1500978"	444.134351	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Hac-H"	59.013851
"970707"	452.100651	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-H+NaCOOH"	66.980151
"116334"	420.089902	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+2Cl"	69.938804
"556988"	612.650152	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+2Cl"	69.938804
"1029068"	227.529652	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2Cl"	69.938804
"1247551"	464.039385	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Br"	78.918885
"1307812"	466.095372	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Cl+HCOOH"	80.974872
"1324213"	488.077329	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Cl+NaCOOH"	102.956829
"914542"	498.106086	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M-H+CF3COOH"	112.985586
"1296355"	534.082764	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Cl+CF3COOH"	148.962264
"1372329"	350.107824	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H-2H2O"	-35.012676
"1396388"	368.1178	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H-H2O"	-17.0027
"292793"	771.248276	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+H"	1.007276
"687407"	1156.368776	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+H"	1.007276
"1360476"	386.127776	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H"	1.007276
"136643"	386.127776	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+2H"	2.014552
"579483"	578.688026	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+2H"	2.014552
"1049377"	193.567526	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2H"	2.014552
"216552"	257.754276	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+3H"	3.021828
"654653"	386.127776	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+3H"	3.021828
"1164033"	129.380776	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+3H"	3.021828
"437148"	788.274823	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+NH4"	18.033823
"799237"	1173.395323	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+NH4"	18.033823
"1692289"	403.154323	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+NH4"	18.033823
"340564"	394.6410495	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+H+NH4"	19.041099
"732984"	587.2012995	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+H+NH4"	19.041099
"1488994"	202.0807995	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H+NH4"	19.041099
"405487"	793.230218	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+Na"	22.989218
"764297"	1178.350718	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+Na"	22.989218
"1611299"	408.109718	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Na"	22.989218
"326439"	397.118747	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+H+Na"	23.996494
"719227"	589.678997	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+H+Na"	23.996494
"1468674"	204.558497	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H+Na"	23.996494
"1061920"	136.70809	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2H+Na"	25.00377
"1264690"	418.153986	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+CH3OH+H"	33.033486
"386547"	809.204158	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+K"	38.963158
"749726"	1194.324658	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+K"	38.963158
"1547411"	424.083658	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+K"	38.963158
"307863"	405.105717	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+H+K"	39.970434
"692752"	597.665967	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+H+K"	39.970434
"1458489"	212.545467	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H+K"	39.970434
"244902"	812.274826	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+ACN+H"	42.033826
"1220896"	427.154326	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+ACN+H"	42.033826
"1205507"	214.080801	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+ACN+2H"	43.041102
"198741"	815.21216	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+2Na-H"	44.97116
"635023"	1200.33266	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+2Na-H"	44.97116
"1135249"	430.09166	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2Na-H"	44.97116
"176350"	408.109718	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+2Na"	45.978436
"615177"	600.669968	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+2Na"	45.978436
"1129990"	215.549468	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2Na"	45.978436
"1412425"	144.035404	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H+2Na"	46.985712
"1441618"	432.133246	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H+HCOOH"	47.012746
"232409"	413.14274	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+3H2O+2H"	56.04448
"1515002"	446.18529	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+IsoProp+H"	61.06479
"420155"	416.096688	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+Na+K"	61.952376
"781152"	608.656938	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+Na+K"	61.952376
"1676388"	223.536438	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Na+K"	61.952376
"254525"	834.256768	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+ACN+Na"	64.015768
"1227961"	449.136268	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+ACN+Na"	64.015768
"1717948"	449.159793	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+NH4+HCOOH"	64.039293
"1184393"	151.362718	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+3Na"	68.967654
"1656477"	454.115188	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Na+HCOOH"	68.994688
"172263"	847.16004	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+2K-H"	76.91904
"611788"	1232.28054	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+2K-H"	76.91904
"1099829"	462.03954	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2K-H"	76.91904
"157122"	424.083658	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"2M+2K"	77.926316
"594735"	616.643908	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"3M+2K"	77.926316
"1084031"	231.523408	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2K"	77.926316
"1108085"	464.054092	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2K+H"	78.933592
"1344468"	464.141707	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+DMSO+H"	79.021207
"1015185"	468.180876	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2ACN+H"	83.060376
"1534403"	469.174508	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+IsoProp+Na+H"	84.054008
"995382"	234.594076	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+2ACN+2H"	84.067652
"1596444"	470.089128	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+K+HCOOH"	84.968628
"1417730"	500.120638	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+H+CF3COOH"	115.000138
"1157858"	255.107351	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+3ACN+2H"	125.094202
"1709605"	517.147185	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+NH4+CF3COOH"	132.026685
"1646347"	522.10258	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+Na+CF3COOH"	136.98208
"1584183"	538.07652	"C13993"	"Ciprofloxacin hydrochloride;Ciprofloxacin hydrochloride monohydrate"	"C17H18FN3O3HClH2O"	"385.1205"	"M+K+CF3COOH"	152.95602
"812364"	255.0177	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M"	0
"989178"	235.99931	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-H2O-H"	-19.01839
"66486"	169.004524	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M-3H"	-3.021828
"509327"	254.010424	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M-3H"	-3.021828
"887129"	83.998624	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-3H"	-3.021828
"5713"	254.010424	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M-2H"	-2.014552
"450741"	381.519274	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M-2H"	-2.014552
"824167"	126.501574	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-2H"	-2.014552
"87439"	509.028124	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M-H"	-1.007276
"531378"	764.045824	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M-H"	-1.007276
"907720"	254.010424	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-H"	-1.007276
"52616"	526.054671	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M-2H+NH4"	16.019271
"492176"	781.072371	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M-2H+NH4"	16.019271
"875446"	271.036971	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-2H+NH4"	16.019271
"40066"	531.010066	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M-2H+Na"	20.974666
"478532"	786.027766	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M-2H+Na"	20.974666
"861443"	275.992366	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-2H+Na"	20.974666
"1630243"	275.992366	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Na-2H"	20.974666
"107508"	271.998763	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M-H+Cl"	33.962126
"547920"	399.507613	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M-H+Cl"	33.962126
"936570"	144.489913	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-H+Cl"	33.962126
"279501"	545.004802	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+Cl"	34.969402
"670831"	800.022502	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+Cl"	34.969402
"1285420"	289.987102	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Cl"	34.969402
"30173"	546.984006	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M-2H+K"	36.948606
"463166"	802.001706	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M-2H+K"	36.948606
"839873"	291.966306	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-2H+K"	36.948606
"1561175"	291.966306	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+K-2H"	36.948606
"949059"	300.015894	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-H+HCOOH"	44.998194
"367275"	555.033601	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+HCOOH-H"	44.998201
"351160"	569.049251	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+Hac-H"	59.013851
"1502182"	314.031551	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Hac-H"	59.013851
"967537"	321.997851	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-H+NaCOOH"	66.980151
"113527"	289.987102	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+2Cl"	69.938804
"550902"	417.495952	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+2Cl"	69.938804
"1025898"	162.478252	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2Cl"	69.938804
"1241950"	333.936585	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Br"	78.918885
"1305733"	335.992572	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Cl+HCOOH"	80.974872
"1323230"	357.974529	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Cl+NaCOOH"	102.956829
"913923"	368.003286	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M-H+CF3COOH"	112.985586
"1296465"	403.979964	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Cl+CF3COOH"	148.962264
"1369884"	220.005024	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H-2H2O"	-35.012676
"1388843"	238.015	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H-H2O"	-17.0027
"292903"	511.042676	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+H"	1.007276
"683137"	766.060376	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+H"	1.007276
"1363867"	256.024976	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H"	1.007276
"135660"	256.024976	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+2H"	2.014552
"577406"	383.533826	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+2H"	2.014552
"1048394"	128.516126	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2H"	2.014552
"214113"	171.019076	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+3H"	3.021828
"653670"	256.024976	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+3H"	3.021828
"1169611"	86.013176	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+3H"	3.021828
"427415"	528.069223	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+NH4"	18.033823
"790597"	783.086923	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+NH4"	18.033823
"1690208"	273.051523	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+NH4"	18.033823
"339579"	264.5382495	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+H+NH4"	19.041099
"729813"	392.0470995	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+H+NH4"	19.041099
"1486914"	137.0293995	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H+NH4"	19.041099
"401220"	533.024618	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+Na"	22.989218
"763309"	788.042318	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+Na"	22.989218
"1605941"	278.006918	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Na"	22.989218
"321446"	267.015947	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+H+Na"	23.996494
"713867"	394.524797	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+H+Na"	23.996494
"1468783"	139.507097	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H+Na"	23.996494
"1056560"	93.34049	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2H+Na"	25.00377
"1264799"	288.051186	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+CH3OH+H"	33.033486
"384467"	548.998558	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+K"	38.963158
"744369"	804.016258	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+K"	38.963158
"1545330"	293.980858	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+K"	38.963158
"301411"	275.002917	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+H+K"	39.970434
"696021"	402.511767	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+H+K"	39.970434
"1457141"	147.494067	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H+K"	39.970434
"243918"	552.069226	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+ACN+H"	42.033826
"1220642"	297.051526	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+ACN+H"	42.033826
"1205617"	149.029401	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+ACN+2H"	43.041102
"199944"	555.00656	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+2Na-H"	44.97116
"635133"	810.02426	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+2Na-H"	44.97116
"1136452"	299.98886	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2Na-H"	44.97116
"176824"	278.006918	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+2Na"	45.978436
"615654"	405.515768	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+2Na"	45.978436
"1129979"	150.498068	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2Na"	45.978436
"1412171"	100.667804	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H+2Na"	46.985712
"1440635"	302.030446	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H+HCOOH"	47.012746
"232519"	283.03994	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+3H2O+2H"	56.04448
"1518392"	316.08249	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+IsoProp+H"	61.06479
"416985"	285.993888	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+Na+K"	61.952376
"780169"	413.502738	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+Na+K"	61.952376
"1675405"	158.485038	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Na+K"	61.952376
"256458"	574.051168	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+ACN+Na"	64.015768
"1228800"	319.033468	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+ACN+Na"	64.015768
"1720244"	319.056993	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+NH4+HCOOH"	64.039293
"1184503"	107.995118	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+3Na"	68.967654
"1657680"	324.012388	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Na+HCOOH"	68.994688
"171602"	586.95444	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+2K-H"	76.91904
"612781"	841.97214	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+2K-H"	76.91904
"1099617"	331.93674	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2K-H"	76.91904
"156838"	293.980858	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"2M+2K"	77.926316
"594603"	421.489708	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"3M+2K"	77.926316
"1083739"	166.472008	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2K"	77.926316
"1108195"	333.951292	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2K+H"	78.933592
"1344578"	334.038907	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+DMSO+H"	79.021207
"1016388"	338.078076	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2ACN+H"	83.060376
"1532326"	339.071708	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+IsoProp+Na+H"	84.054008
"998772"	169.542676	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+2ACN+2H"	84.067652
"1596554"	339.986328	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+K+HCOOH"	84.968628
"1423307"	370.017838	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+H+CF3COOH"	115.000138
"1159062"	190.055951	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+3ACN+2H"	125.094202
"1709714"	387.044385	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+NH4+CF3COOH"	132.026685
"1646457"	391.99978	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+Na+CF3COOH"	136.98208
"1584293"	407.97372	"C14001"	"Sulbactam sodium"	"C8H10NO5SNa"	"255.0177"	"M+K+CF3COOH"	152.95602
"814660"	460.201	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M"	0
"989900"	441.18261	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-H2O-H"	-19.01839
"67690"	305.793390666667	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M-3H"	-3.021828
"511624"	459.193724	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M-3H"	-3.021828
"892706"	152.393057333333	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-3H"	-3.021828
"5823"	459.193724	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M-2H"	-2.014552
"446476"	689.294224	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M-2H"	-2.014552
"824278"	229.093224	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-2H"	-2.014552
"88642"	919.394724	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M-H"	-1.007276
"529299"	1379.595724	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M-H"	-1.007276
"907100"	459.193724	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-H"	-1.007276
"56005"	936.421271	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M-2H+NH4"	16.019271
"494472"	1396.622271	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M-2H+NH4"	16.019271
"876649"	476.220271	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-2H+NH4"	16.019271
"41269"	941.376666	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M-2H+Na"	20.974666
"477548"	1401.577666	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M-2H+Na"	20.974666
"859726"	481.175666	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-2H+Na"	20.974666
"1631811"	481.175666	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Na-2H"	20.974666
"109809"	477.182063	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M-H+Cl"	33.962126
"548513"	707.282563	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M-H+Cl"	33.962126
"936680"	247.081563	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-H+Cl"	33.962126
"276329"	955.371402	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+Cl"	34.969402
"672033"	1415.572402	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+Cl"	34.969402
"1285529"	495.170402	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Cl"	34.969402
"28090"	957.350606	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M-2H+K"	36.948606
"463275"	1417.551606	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M-2H+K"	36.948606
"835609"	497.149606	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-2H+K"	36.948606
"1563471"	497.149606	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+K-2H"	36.948606
"949168"	505.199194	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-H+HCOOH"	44.998194
"365197"	965.400201	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+HCOOH-H"	44.998201
"345840"	979.415851	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+Hac-H"	59.013851
"1501197"	519.214851	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Hac-H"	59.013851
"966553"	527.181151	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-H+NaCOOH"	66.980151
"112543"	495.170402	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+2Cl"	69.938804
"552834"	725.270902	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+2Cl"	69.938804
"1024913"	265.069902	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2Cl"	69.938804
"1242667"	539.119885	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Br"	78.918885
"1304749"	541.175872	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Cl+HCOOH"	80.974872
"1321517"	563.157829	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Cl+NaCOOH"	102.956829
"915126"	573.186586	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M-H+CF3COOH"	112.985586
"1296575"	609.163264	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Cl+CF3COOH"	148.962264
"1370361"	425.188324	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H-2H2O"	-35.012676
"1387858"	443.1983	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H-H2O"	-17.0027
"287545"	921.409276	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+H"	1.007276
"677050"	1381.610276	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+H"	1.007276
"1359600"	461.208276	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H"	1.007276
"135767"	461.208276	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+2H"	2.014552
"569858"	691.308776	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+2H"	2.014552
"1045222"	231.107776	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2H"	2.014552
"215313"	307.807942666667	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+3H"	3.021828
"653777"	461.208276	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+3H"	3.021828
"1164613"	154.407609333333	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+3H"	3.021828
"426063"	938.435823	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+NH4"	18.033823
"789977"	1398.636823	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+NH4"	18.033823
"1687037"	478.234823	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+NH4"	18.033823
"335678"	469.7215495	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+H+NH4"	19.041099
"728100"	699.8220495	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+H+NH4"	19.041099
"1481191"	239.6210495	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H+NH4"	19.041099
"402423"	943.391218	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+Na"	22.989218
"761231"	1403.592218	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+Na"	22.989218
"1607143"	483.190218	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Na"	22.989218
"315722"	472.199247	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+H+Na"	23.996494
"716163"	702.299747	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+H+Na"	23.996494
"1469986"	242.098747	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H+Na"	23.996494
"1056670"	161.734923333333	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2H+Na"	25.00377
"1263816"	493.234486	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+CH3OH+H"	33.033486
"384577"	959.365158	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+K"	38.963158
"744479"	1419.566158	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+K"	38.963158
"1545440"	499.164158	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+K"	38.963158
"300063"	480.186217	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+H+K"	39.970434
"696131"	710.286717	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+H+K"	39.970434
"1457615"	250.085717	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H+K"	39.970434
"242935"	962.435826	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+ACN+H"	42.033826
"1218928"	502.234826	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+ACN+H"	42.033826
"1201719"	251.621051	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+ACN+2H"	43.041102
"201148"	965.37316	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+2Na-H"	44.97116
"636336"	1425.57416	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+2Na-H"	44.97116
"1134737"	505.17216	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2Na-H"	44.97116
"176931"	483.190218	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+2Na"	45.978436
"618316"	713.290718	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+2Na"	45.978436
"1130089"	253.089718	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2Na"	45.978436
"1411910"	169.062237333333	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H+2Na"	46.985712
"1440745"	507.213746	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H+HCOOH"	47.012746
"231535"	488.22324	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+3H2O+2H"	56.04448
"1518503"	521.26579	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+IsoProp+H"	61.06479
"415272"	491.177188	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+Na+K"	61.952376
"776996"	721.277688	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+Na+K"	61.952376
"1672234"	261.076688	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Na+K"	61.952376
"256930"	984.417768	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+ACN+Na"	64.015768
"1227816"	524.216768	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+ACN+Na"	64.015768
"1720354"	524.240293	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+NH4+HCOOH"	64.039293
"1184977"	176.389551333333	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+3Na"	68.967654
"1657790"	529.195688	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Na+HCOOH"	68.994688
"159550"	997.32104	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+2K-H"	76.91904
"612132"	1457.52204	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+2K-H"	76.91904
"1099564"	537.12004	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2K-H"	76.91904
"156939"	499.164158	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"2M+2K"	77.926316
"594714"	729.264658	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"3M+2K"	77.926316
"1083730"	269.063658	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2K"	77.926316
"1112679"	539.134592	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2K+H"	78.933592
"1347969"	539.222207	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+DMSO+H"	79.021207
"1016134"	543.261376	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2ACN+H"	83.060376
"1532436"	544.255008	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+IsoProp+Na+H"	84.054008
"998882"	272.134326	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+2ACN+2H"	84.067652
"1596664"	545.169628	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+K+HCOOH"	84.968628
"1423417"	575.201138	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+H+CF3COOH"	115.000138
"1160630"	292.647601	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+3ACN+2H"	125.094202
"1709824"	592.227685	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+NH4+CF3COOH"	132.026685
"1643287"	597.18308	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+Na+CF3COOH"	136.98208
"1584403"	613.15702	"C14002"	"Lincomycin hydrochloride;Lincomycin hydrochloride monohydrate"	"C18H34N2O6SHClH2O"	"460.201"	"M+K+CF3COOH"	152.95602
"812584"	618.966	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M"	0
"989035"	599.94761	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-H2O-H"	-19.01839
"71080"	411.636724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M-3H"	-3.021828
"517689"	617.958724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M-3H"	-3.021828
"893910"	205.314724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-3H"	-3.021828
"4837"	617.958724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M-2H"	-2.014552
"441846"	927.441724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M-2H"	-2.014552
"822201"	308.475724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-2H"	-2.014552
"90938"	1236.924724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M-H"	-1.007276
"525033"	1855.890724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M-H"	-1.007276
"902833"	617.958724	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-H"	-1.007276
"51741"	1253.951271	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M-2H+NH4"	16.019271
"494582"	1872.917271	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M-2H+NH4"	16.019271
"873479"	634.985271	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-2H+NH4"	16.019271
"39192"	1258.906666	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M-2H+Na"	20.974666
"477658"	1877.872666	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M-2H+Na"	20.974666
"856552"	639.940666	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-2H+Na"	20.974666
"1626088"	639.940666	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Na-2H"	20.974666
"109634"	635.947063	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M-H+Cl"	33.962126
"545464"	945.430063	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M-H+Cl"	33.962126
"935697"	326.464063	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-H+Cl"	33.962126
"278626"	1272.901402	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+Cl"	34.969402
"672144"	1891.867402	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+Cl"	34.969402
"1282359"	653.935402	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Cl"	34.969402
"30024"	1274.880606	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M-2H+K"	36.948606
"462292"	1893.846606	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M-2H+K"	36.948606
"836813"	655.914606	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-2H+K"	36.948606
"1562487"	655.914606	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+K-2H"	36.948606
"952558"	663.964194	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-H+HCOOH"	44.998194
"365307"	1282.930201	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+HCOOH-H"	44.998201
"348463"	1296.945851	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+Hac-H"	59.013851
"1499120"	677.979851	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Hac-H"	59.013851
"967756"	685.946151	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-H+NaCOOH"	66.980151
"112653"	653.935402	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+2Cl"	69.938804
"554038"	963.418402	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+2Cl"	69.938804
"1025023"	344.452402	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2Cl"	69.938804
"1245693"	697.884885	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Br"	78.918885
"1305952"	699.940872	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Cl+HCOOH"	80.974872
"1322356"	721.922829	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Cl+NaCOOH"	102.956829
"915236"	731.951586	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M-H+CF3COOH"	112.985586
"1297778"	767.928264	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Cl+CF3COOH"	148.962264
"1370471"	583.953324	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H-2H2O"	-35.012676
"1387968"	601.9633	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H-H2O"	-17.0027
"290935"	1238.939276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+H"	1.007276
"681169"	1857.905276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+H"	1.007276
"1358617"	619.973276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H"	1.007276
"138063"	619.973276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+2H"	2.014552
"572156"	929.456276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+2H"	2.014552
"1046427"	310.490276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2H"	2.014552
"216517"	413.651276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+3H"	3.021828
"657169"	619.973276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+3H"	3.021828
"1168369"	207.329276	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+3H"	3.021828
"433101"	1255.965823	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+NH4"	18.033823
"793003"	1874.931823	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+NH4"	18.033823
"1685323"	636.999823	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+NH4"	18.033823
"336516"	628.4865495	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+H+NH4"	19.041099
"729303"	937.9695495	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+H+NH4"	19.041099
"1481666"	319.0035495	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H+NH4"	19.041099
"401439"	1260.921218	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+Na"	22.989218
"764622"	1879.887218	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+Na"	22.989218
"1609441"	641.955218	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Na"	22.989218
"317291"	630.964247	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+H+Na"	23.996494
"719554"	940.447247	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+H+Na"	23.996494
"1468999"	321.481247	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H+Na"	23.996494
"1060059"	214.65659	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2H+Na"	25.00377
"1262832"	651.999486	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+CH3OH+H"	33.033486
"381406"	1276.895158	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+K"	38.963158
"741307"	1895.861158	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+K"	38.963158
"1542268"	657.929158	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+K"	38.963158
"298997"	638.951217	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+H+K"	39.970434
"693325"	948.434217	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+H+K"	39.970434
"1458818"	329.468217	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H+K"	39.970434
"243045"	1279.965826	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+ACN+H"	42.033826
"1217944"	660.999826	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+ACN+H"	42.033826
"1202920"	331.003551	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+ACN+2H"	43.041102
"196884"	1282.90316	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+2Na-H"	44.97116
"637537"	1901.86916	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+2Na-H"	44.97116
"1135578"	663.93716	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2Na-H"	44.97116
"178138"	641.955218	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+2Na"	45.978436
"621707"	951.438218	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+2Na"	45.978436
"1119744"	332.472218	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2Na"	45.978436
"1408739"	221.983904	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H+2Na"	46.985712
"1443042"	665.978746	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H+HCOOH"	47.012746
"235497"	646.98824	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+3H2O+2H"	56.04448
"1518613"	680.03079	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+IsoProp+H"	61.06479
"413925"	649.942188	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+Na+K"	61.952376
"773097"	959.425188	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+Na+K"	61.952376
"1671251"	340.459188	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Na+K"	61.952376
"257040"	1301.947768	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+ACN+Na"	64.015768
"1226833"	682.981768	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+ACN+Na"	64.015768
"1719371"	683.005293	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+NH4+HCOOH"	64.039293
"1183994"	229.311218	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+3Na"	68.967654
"1655713"	687.960688	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Na+HCOOH"	68.994688
"160389"	1314.85104	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+2K-H"	76.91904
"612322"	1933.81704	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+2K-H"	76.91904
"1099678"	695.88504	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2K-H"	76.91904
"156952"	657.929158	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"2M+2K"	77.926316
"595066"	967.412158	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"3M+2K"	77.926316
"1079579"	348.446158	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2K"	77.926316
"1112789"	697.899592	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2K+H"	78.933592
"1346986"	697.987207	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+DMSO+H"	79.021207
"1016244"	702.026376	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2ACN+H"	83.060376
"1532546"	703.020008	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+IsoProp+Na+H"	84.054008
"1002272"	351.516826	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+2ACN+2H"	84.067652
"1598961"	703.934628	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+K+HCOOH"	84.968628
"1419153"	733.966138	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+H+CF3COOH"	115.000138
"1161104"	372.030101	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+3ACN+2H"	125.094202
"1709570"	750.992685	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+NH4+CF3COOH"	132.026685
"1646677"	755.94808	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+Na+CF3COOH"	136.98208
"1584513"	771.92202	"C14007"	"Cefotetan disodium;Cefotetan sodium"	"C17H15N7O8S42Na"	"618.966"	"M+K+CF3COOH"	152.95602
"813787"	475.0581	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M"	0
"987321"	456.03971	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-H2O-H"	-19.01839
"64630"	315.698124	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M-3H"	-3.021828
"515124"	474.050824	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M-3H"	-3.021828
"889646"	157.345424	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-3H"	-3.021828
"7133"	474.050824	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M-2H"	-2.014552
"443416"	711.579874	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M-2H"	-2.014552
"824497"	236.521774	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-2H"	-2.014552
"93115"	949.108924	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M-H"	-1.007276
"525143"	1424.167024	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M-H"	-1.007276
"907317"	474.050824	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-H"	-1.007276
"55132"	966.135471	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M-2H+NH4"	16.019271
"496880"	1441.193571	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M-2H+NH4"	16.019271
"873589"	491.077371	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-2H+NH4"	16.019271
"40394"	971.090866	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M-2H+Na"	20.974666
"481048"	1446.148966	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M-2H+Na"	20.974666
"857755"	496.032766	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-2H+Na"	20.974666
"1626197"	496.032766	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Na-2H"	20.974666
"108202"	492.039163	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M-H+Cl"	33.962126
"545574"	729.568213	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M-H+Cl"	33.962126
"940180"	254.510113	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-H+Cl"	33.962126
"278736"	985.085602	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+Cl"	34.969402
"665692"	1460.143702	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+Cl"	34.969402
"1282469"	510.027502	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Cl"	34.969402
"27214"	987.064806	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M-2H+K"	36.948606
"466776"	1462.122906	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M-2H+K"	36.948606
"836923"	512.006706	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-2H+K"	36.948606
"1561503"	512.006706	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+K-2H"	36.948606
"952668"	520.056294	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-H+HCOOH"	44.998194
"366510"	995.114401	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+HCOOH-H"	44.998201
"351489"	1009.130051	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+Hac-H"	59.013851
"1499230"	534.071951	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Hac-H"	59.013851
"966773"	542.038251	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-H+NaCOOH"	66.980151
"112399"	510.027502	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+2Cl"	69.938804
"555241"	747.556552	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+2Cl"	69.938804
"1026227"	272.498452	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2Cl"	69.938804
"1246896"	553.976985	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Br"	78.918885
"1306062"	556.032972	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Cl+HCOOH"	80.974872
"1323559"	578.014929	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Cl+NaCOOH"	102.956829
"914982"	588.043686	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M-H+CF3COOH"	112.985586
"1290232"	624.020364	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Cl+CF3COOH"	148.962264
"1367665"	440.045424	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H-2H2O"	-35.012676
"1388078"	458.0554	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H-H2O"	-17.0027
"289952"	951.123476	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+H"	1.007276
"680186"	1426.181576	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+H"	1.007276
"1359820"	476.065376	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H"	1.007276
"134893"	476.065376	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+2H"	2.014552
"572266"	713.594426	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+2H"	2.014552
"1048723"	238.536326	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2H"	2.014552
"216626"	317.712676	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+3H"	3.021828
"657279"	476.065376	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+3H"	3.021828
"1168115"	159.359976	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+3H"	3.021828
"429565"	968.150023	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+NH4"	18.033823
"790923"	1443.208123	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+NH4"	18.033823
"1682514"	493.091923	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+NH4"	18.033823
"334439"	484.5786495	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+H+NH4"	19.041099
"729048"	722.1076995	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+H+NH4"	19.041099
"1481777"	247.0495995	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H+NH4"	19.041099
"396810"	973.105418	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+Na"	22.989218
"761452"	1448.163518	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+Na"	22.989218
"1608458"	498.047318	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Na"	22.989218
"316671"	487.056347	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+H+Na"	23.996494
"717478"	724.585397	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+H+Na"	23.996494
"1470205"	249.527297	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H+Na"	23.996494
"1060168"	166.68729	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2H+Na"	25.00377
"1261848"	508.091586	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+CH3OH+H"	33.033486
"378599"	989.079358	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+K"	38.963158
"741418"	1464.137458	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+K"	38.963158
"1542013"	514.021258	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+K"	38.963158
"299553"	495.043317	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+H+K"	39.970434
"692706"	732.572367	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+H+K"	39.970434
"1455648"	257.514267	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H+K"	39.970434
"246435"	992.150026	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+ACN+H"	42.033826
"1218054"	517.091926	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+ACN+H"	42.033826
"1204123"	259.049601	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+ACN+2H"	43.041102
"196994"	995.08736	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+2Na-H"	44.97116
"637647"	1470.14546	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+2Na-H"	44.97116
"1135687"	520.02926	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2Na-H"	44.97116
"179341"	498.047318	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+2Na"	45.978436
"621817"	735.576368	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+2Na"	45.978436
"1120949"	260.518268	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2Na"	45.978436
"1409942"	174.014604	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H+2Na"	46.985712
"1442058"	522.070846	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H+HCOOH"	47.012746
"234796"	503.08034	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+3H2O+2H"	56.04448
"1519816"	536.12289	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+IsoProp+H"	61.06479
"416586"	506.034288	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+Na+K"	61.952376
"773571"	743.563338	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+Na+K"	61.952376
"1670995"	268.505238	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Na+K"	61.952376
"258972"	1014.131968	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+ACN+Na"	64.015768
"1229130"	539.073868	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+ACN+Na"	64.015768
"1719480"	539.097393	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+NH4+HCOOH"	64.039293
"1178665"	181.341918	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+3Na"	68.967654
"1655091"	544.052788	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Na+HCOOH"	68.994688
"161593"	1027.03524	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+2K-H"	76.91904
"612751"	1502.09334	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+2K-H"	76.91904
"1099788"	551.97714	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2K-H"	76.91904
"156711"	514.021258	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"2M+2K"	77.926316
"594083"	751.550308	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"3M+2K"	77.926316
"1082968"	276.492208	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2K"	77.926316
"1112899"	553.991692	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2K+H"	78.933592
"1347095"	554.079307	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+DMSO+H"	79.021207
"1016718"	558.118476	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2ACN+H"	83.060376
"1532656"	559.112108	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+IsoProp+Na+H"	84.054008
"999102"	279.562876	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+2ACN+2H"	84.067652
"1599071"	560.026728	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+K+HCOOH"	84.968628
"1421450"	590.058238	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+H+CF3COOH"	115.000138
"1161214"	300.076151	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+3ACN+2H"	125.094202
"1710773"	607.084785	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+NH4+CF3COOH"	132.026685
"1643507"	612.04018	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+Na+CF3COOH"	136.98208
"1584623"	628.01412	"C14010"	"Sodium cloxacillin monohydrate;Cloxacillin sodium"	"C19H17ClN3O5SNaH2O"	"475.0581"	"M+K+CF3COOH"	152.95602
"813897"	393.194	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M"	0
"989376"	374.17561	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-H2O-H"	-19.01839
"74580"	261.122057333333	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M-3H"	-3.021828
"516328"	392.186724	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M-3H"	-3.021828
"891943"	130.057390666667	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-3H"	-3.021828
"13803"	392.186724	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M-2H"	-2.014552
"450085"	588.783724	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M-2H"	-2.014552
"822420"	195.589724	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-2H"	-2.014552
"92131"	785.380724	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M-H"	-1.007276
"525253"	1178.574724	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M-H"	-1.007276
"907427"	392.186724	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-H"	-1.007276
"58521"	802.407271	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M-2H+NH4"	16.019271
"499177"	1195.601271	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M-2H+NH4"	16.019271
"873698"	409.213271	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-2H+NH4"	16.019271
"43785"	807.362666	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M-2H+Na"	20.974666
"485170"	1200.556666	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M-2H+Na"	20.974666
"861146"	414.168666	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-2H+Na"	20.974666
"1631410"	414.168666	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Na-2H"	20.974666
"105030"	410.175063	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M-H+Cl"	33.962126
"543498"	606.772063	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M-H+Cl"	33.962126
"937010"	213.578063	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-H+Cl"	33.962126
"281157"	821.357402	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+Cl"	34.969402
"669082"	1214.551402	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+Cl"	34.969402
"1282578"	428.163402	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Cl"	34.969402
"22950"	823.336606	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M-2H+K"	36.948606
"463603"	1216.530606	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M-2H+K"	36.948606
"835937"	430.142606	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-2H+K"	36.948606
"1557238"	430.142606	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+K-2H"	36.948606
"954966"	438.192194	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-H+HCOOH"	44.998194
"370994"	831.386201	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+HCOOH-H"	44.998201
"349776"	845.401851	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+Hac-H"	59.013851
"1498247"	452.207851	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Hac-H"	59.013851
"965790"	460.174151	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-H+NaCOOH"	66.980151
"112873"	428.163402	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+2Cl"	69.938804
"557538"	624.760402	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+2Cl"	69.938804
"1026337"	231.566402	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2Cl"	69.938804
"1245913"	472.112885	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Br"	78.918885
"1305444"	474.168872	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Cl+HCOOH"	80.974872
"1322940"	496.150829	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Cl+NaCOOH"	102.956829
"914363"	506.179586	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M-H+CF3COOH"	112.985586
"1291437"	542.156264	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Cl+CF3COOH"	148.962264
"1367775"	358.181324	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H-2H2O"	-35.012676
"1388188"	376.1913	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H-H2O"	-17.0027
"290062"	787.395276	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+H"	1.007276
"680296"	1180.589276	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+H"	1.007276
"1357743"	394.201276	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H"	1.007276
"131723"	394.201276	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+2H"	2.014552
"570917"	590.798276	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+2H"	2.014552
"1048833"	197.604276	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2H"	2.014552
"217465"	263.136609333333	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+3H"	3.021828
"656295"	394.201276	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+3H"	3.021828
"1169683"	132.071942666667	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+3H"	3.021828
"430403"	804.421823	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+NH4"	18.033823
"791034"	1197.615823	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+NH4"	18.033823
"1684449"	411.227823	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+NH4"	18.033823
"333091"	402.7145495	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+H+NH4"	19.041099
"728429"	599.3115495	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+H+NH4"	19.041099
"1481886"	206.1175495	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H+NH4"	19.041099
"398378"	809.377218	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+Na"	22.989218
"760467"	1202.571218	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+Na"	22.989218
"1608568"	416.183218	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Na"	22.989218
"319697"	405.192247	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+H+Na"	23.996494
"714308"	601.789247	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+H+Na"	23.996494
"1470315"	208.595247	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H+Na"	23.996494
"1058092"	139.399256666667	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2H+Na"	25.00377
"1260135"	426.227486	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+CH3OH+H"	33.033486
"379073"	825.351158	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+K"	38.963158
"741162"	1218.545158	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+K"	38.963158
"1543215"	432.157158	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+K"	38.963158
"304036"	413.179217	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+H+K"	39.970434
"695369"	609.776217	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+H+K"	39.970434
"1454665"	216.582217	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H+K"	39.970434
"249827"	828.421826	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+ACN+H"	42.033826
"1214885"	435.227826	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+ACN+H"	42.033826
"1203140"	218.117551	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+ACN+2H"	43.041102
"202571"	831.35916	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+2Na-H"	44.97116
"641037"	1224.55316	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+2Na-H"	44.97116
"1141265"	438.16516	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2Na-H"	44.97116
"187111"	416.183218	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+2Na"	45.978436
"627034"	612.780218	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+2Na"	45.978436
"1128713"	219.586218	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2Na"	45.978436
"1410782"	146.726570666667	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H+2Na"	46.985712
"1442899"	440.206746	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H+HCOOH"	47.012746
"235393"	421.21624	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+3H2O+2H"	56.04448
"1519926"	454.25879	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+IsoProp+H"	61.06479
"418519"	424.170188	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+Na+K"	61.952376
"775503"	620.767188	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+Na+K"	61.952376
"1672199"	227.573188	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Na+K"	61.952376
"260176"	850.403768	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+ACN+Na"	64.015768
"1233979"	457.209768	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+ACN+Na"	64.015768
"1720684"	457.233293	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+NH4+HCOOH"	64.039293
"1178658"	154.053884666667	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+3Na"	68.967654
"1655932"	462.188688	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Na+HCOOH"	68.994688
"164983"	863.30704	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+2K-H"	76.91904
"612703"	1256.50104	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+2K-H"	76.91904
"1099643"	470.11304	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2K-H"	76.91904
"156580"	432.157158	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"2M+2K"	77.926316
"595288"	628.754158	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"3M+2K"	77.926316
"1080891"	235.560158	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2K"	77.926316
"1113007"	472.127592	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2K+H"	78.933592
"1349392"	472.215207	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+DMSO+H"	79.021207
"1016828"	476.254376	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2ACN+H"	83.060376
"1532766"	477.248008	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+IsoProp+Na+H"	84.054008
"999212"	238.630826	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+2ACN+2H"	84.067652
"1594807"	478.162628	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+K+HCOOH"	84.968628
"1418280"	508.194138	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+H+CF3COOH"	115.000138
"1155128"	259.144101	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+3ACN+2H"	125.094202
"1711126"	525.220685	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+NH4+CF3COOH"	132.026685
"1646533"	530.17608	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+Na+CF3COOH"	136.98208
"1584733"	546.15002	"C14015"	"Diphenhydramine salicylate"	"C17H21NOC7H6O3"	"393.194"	"M+K+CF3COOH"	152.95602
"812914"	428.0089	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M"	0
"989000"	408.99051	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-H2O-H"	-19.01839
"65943"	284.331990666667	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M-3H"	-3.021828
"508784"	427.001624	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M-3H"	-3.021828
"889866"	141.662357333333	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-3H"	-3.021828
"13549"	427.001624	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M-2H"	-2.014552
"451288"	641.006074	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M-2H"	-2.014552
"825810"	212.997174	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-2H"	-2.014552
"92362"	855.010524	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M-H"	-1.007276
"525363"	1283.019424	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M-H"	-1.007276
"909360"	427.001624	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-H"	-1.007276
"61790"	872.037071	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M-2H+NH4"	16.019271
"500380"	1300.045971	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M-2H+NH4"	16.019271
"874901"	444.028171	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-2H+NH4"	16.019271
"43531"	876.992466	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M-2H+Na"	20.974666
"486255"	1305.001366	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M-2H+Na"	20.974666
"861256"	448.983566	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-2H+Na"	20.974666
"1632616"	448.983566	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Na-2H"	20.974666
"104046"	444.989963	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M-H+Cl"	33.962126
"542514"	658.994413	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M-H+Cl"	33.962126
"934933"	230.985513	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-H+Cl"	33.962126
"281143"	890.987202	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+Cl"	34.969402
"662632"	1318.996102	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+Cl"	34.969402
"1279407"	462.978302	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Cl"	34.969402
"19780"	892.966406	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M-2H+K"	36.948606
"460433"	1320.975306	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M-2H+K"	36.948606
"840420"	464.957506	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-2H+K"	36.948606
"1560629"	464.957506	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+K-2H"	36.948606
"950702"	473.007094	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-H+HCOOH"	44.998194
"370011"	901.016001	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+HCOOH-H"	44.998201
"349522"	915.031651	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+Hac-H"	59.013851
"1498357"	487.022751	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Hac-H"	59.013851
"964807"	494.989051	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-H+NaCOOH"	66.980151
"112619"	462.978302	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+2Cl"	69.938804
"554368"	676.982752	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+2Cl"	69.938804
"1028634"	248.973852	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2Cl"	69.938804
"1247116"	506.927785	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Br"	78.918885
"1309563"	508.983772	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Cl+HCOOH"	80.974872
"1324872"	530.965729	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Cl+NaCOOH"	102.956829
"913745"	540.994486	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M-H+CF3COOH"	112.985586
"1291547"	576.971164	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Cl+CF3COOH"	148.962264
"1367397"	392.996224	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H-2H2O"	-35.012676
"1388298"	411.0062	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H-H2O"	-17.0027
"290172"	857.025076	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+H"	1.007276
"678219"	1285.033976	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+H"	1.007276
"1363320"	429.016176	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H"	1.007276
"134020"	429.016176	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+2H"	2.014552
"569206"	643.020626	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+2H"	2.014552
"1047850"	215.011726	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2H"	2.014552
"217938"	286.346542666667	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+3H"	3.021828
"656405"	429.016176	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+3H"	3.021828
"1171252"	143.676909333333	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+3H"	3.021828
"430878"	874.051623	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+NH4"	18.033823
"790051"	1302.060523	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+NH4"	18.033823
"1687110"	446.042723	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+NH4"	18.033823
"331379"	437.5294495	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+H+NH4"	19.041099
"725987"	651.5338995	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+H+NH4"	19.041099
"1481996"	223.5249995	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H+NH4"	19.041099
"395570"	879.007018	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+Na"	22.989218
"760578"	1307.015918	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+Na"	22.989218
"1608677"	450.998118	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Na"	22.989218
"320901"	440.007147	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+H+Na"	23.996494
"719885"	654.011597	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+H+Na"	23.996494
"1470426"	226.002697	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H+Na"	23.996494
"1059296"	151.004223333333	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2H+Na"	25.00377
"1260974"	461.042386	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+CH3OH+H"	33.033486
"379057"	894.980958	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+K"	38.963158
"741636"	1322.989858	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+K"	38.963158
"1542595"	466.972058	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+K"	38.963158
"304143"	447.994117	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+H+K"	39.970434
"698760"	661.998567	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+H+K"	39.970434
"1458055"	233.989667	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H+K"	39.970434
"247021"	898.051626	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+ACN+H"	42.033826
"1219368"	470.042726	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+ACN+H"	42.033826
"1203250"	235.525001	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+ACN+2H"	43.041102
"202560"	900.98896	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+2Na-H"	44.97116
"641147"	1328.99786	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+2Na-H"	44.97116
"1144900"	472.98006	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2Na-H"	44.97116
"188075"	450.998118	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+2Na"	45.978436
"627143"	665.002568	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+2Na"	45.978436
"1130043"	236.993668	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2Na"	45.978436
"1411864"	158.331537333333	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H+2Na"	46.985712
"1444347"	475.021646	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H+HCOOH"	47.012746
"234288"	456.03114	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+3H2O+2H"	56.04448
"1520036"	489.07369	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+IsoProp+H"	61.06479
"417536"	458.985088	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+Na+K"	61.952376
"774884"	672.989538	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+Na+K"	61.952376
"1672309"	244.980638	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Na+K"	61.952376
"260286"	920.033568	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+ACN+Na"	64.015768
"1228985"	492.024668	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+ACN+Na"	64.015768
"1716781"	492.048193	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+NH4+HCOOH"	64.039293
"1178508"	165.658851333333	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+3Na"	68.967654
"1654947"	497.003588	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Na+HCOOH"	68.994688
"164000"	932.93684	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+2K-H"	76.91904
"612697"	1360.94574	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+2K-H"	76.91904
"1098902"	504.92794	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2K-H"	76.91904
"156083"	466.972058	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"2M+2K"	77.926316
"596492"	680.976508	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"3M+2K"	77.926316
"1082094"	252.967608	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2K"	77.926316
"1113117"	506.942492	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2K+H"	78.933592
"1350232"	507.030107	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+DMSO+H"	79.021207
"1015844"	511.069276	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2ACN+H"	83.060376
"1532876"	512.062908	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+IsoProp+Na+H"	84.054008
"999322"	256.038276	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+2ACN+2H"	84.067652
"1592730"	512.977528	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+K+HCOOH"	84.968628
"1419483"	543.009038	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+H+CF3COOH"	115.000138
"1154144"	276.551551	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+3ACN+2H"	125.094202
"1711965"	560.035585	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+NH4+CF3COOH"	132.026685
"1647007"	564.99098	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+Na+CF3COOH"	136.98208
"1584843"	580.96492	"C14021"	"Ticarcillin disodium;Aerugipen"	"C15H14N2O6S22Na"	"428.0089"	"M+K+CF3COOH"	152.95602
"813024"	410.2206	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M"	0
"989474"	391.20221	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-H2O-H"	-19.01839
"65687"	272.473124	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M-3H"	-3.021828
"508894"	409.213324	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M-3H"	-3.021828
"889976"	135.732924	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-3H"	-3.021828
"10744"	409.213324	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M-2H"	-2.014552
"450306"	614.323624	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M-2H"	-2.014552
"829200"	204.103024	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-2H"	-2.014552
"94201"	819.433924	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M-H"	-1.007276
"527660"	1229.654524	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M-H"	-1.007276
"909713"	409.213324	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-H"	-1.007276
"61536"	836.460471	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M-2H+NH4"	16.019271
"500490"	1246.681071	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M-2H+NH4"	16.019271
"878294"	426.239871	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-2H+NH4"	16.019271
"44736"	841.415866	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M-2H+Na"	20.974666
"486245"	1251.636466	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M-2H+Na"	20.974666
"862459"	431.195266	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-2H+Na"	20.974666
"1633332"	431.195266	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Na-2H"	20.974666
"104156"	427.201663	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M-H+Cl"	33.962126
"544811"	632.311963	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M-H+Cl"	33.962126
"937230"	222.091363	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-H+Cl"	33.962126
"280889"	855.410602	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+Cl"	34.969402
"660797"	1265.631202	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+Cl"	34.969402
"1279521"	445.190002	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Cl"	34.969402
"24266"	857.389806	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M-2H+K"	36.948606
"463824"	1267.610406	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M-2H+K"	36.948606
"839440"	447.169206	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-2H+K"	36.948606
"1562926"	447.169206	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+K-2H"	36.948606
"950812"	455.218794	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-H+HCOOH"	44.998194
"367934"	865.439401	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+HCOOH-H"	44.998201
"354007"	879.455051	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+Hac-H"	59.013851
"1501748"	469.234451	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Hac-H"	59.013851
"969291"	477.200751	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-H+NaCOOH"	66.980151
"117105"	445.190002	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+2Cl"	69.938804
"561039"	650.300302	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+2Cl"	69.938804
"1034211"	240.079702	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2Cl"	69.938804
"1249415"	489.139485	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Br"	78.918885
"1308580"	491.195472	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Cl+HCOOH"	80.974872
"1324983"	513.177429	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Cl+NaCOOH"	102.956829
"916041"	523.206186	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M-H+CF3COOH"	112.985586
"1291657"	559.182864	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Cl+CF3COOH"	148.962264
"1368359"	375.207924	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H-2H2O"	-35.012676
"1390595"	393.2179	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H-H2O"	-17.0027
"290282"	821.448476	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+H"	1.007276
"678329"	1231.669076	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+H"	1.007276
"1364524"	411.227876	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H"	1.007276
"137410"	411.227876	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+2H"	2.014552
"569680"	616.338176	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+2H"	2.014552
"1049053"	206.117576	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2H"	2.014552
"217684"	274.487676	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+3H"	3.021828
"655420"	411.227876	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+3H"	3.021828
"1169172"	137.747476	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+3H"	3.021828
"429163"	838.475023	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+NH4"	18.033823
"790889"	1248.695623	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+NH4"	18.033823
"1687582"	428.254423	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+NH4"	18.033823
"330881"	419.7411495	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+H+NH4"	19.041099
"726097"	624.8514495	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+H+NH4"	19.041099
"1480281"	214.6308495	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H+NH4"	19.041099
"393614"	843.430418	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+Na"	22.989218
"757406"	1253.651018	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+Na"	22.989218
"1603681"	433.209818	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Na"	22.989218
"318818"	422.218847	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+H+Na"	23.996494
"712332"	627.329147	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+H+Na"	23.996494
"1461905"	217.108547	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H+Na"	23.996494
"1055397"	145.07479	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2H+Na"	25.00377
"1259626"	443.254086	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+CH3OH+H"	33.033486
"379045"	859.404358	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+K"	38.963158
"738581"	1269.624958	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+K"	38.963158
"1540269"	449.183758	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+K"	38.963158
"299876"	430.205817	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+H+K"	39.970434
"699963"	635.316117	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+H+K"	39.970434
"1459622"	225.095517	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H+K"	39.970434
"251022"	862.475026	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+ACN+H"	42.033826
"1219479"	452.254426	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+ACN+H"	42.033826
"1205548"	226.630851	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+ACN+2H"	43.041102
"203730"	865.41236	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+2Na-H"	44.97116
"643443"	1275.63296	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+2Na-H"	44.97116
"1145859"	455.19176	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2Na-H"	44.97116
"188185"	433.209818	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+2Na"	45.978436
"628107"	638.320118	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+2Na"	45.978436
"1130637"	228.099518	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2Na"	45.978436
"1412459"	152.402104	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H+2Na"	46.985712
"1444579"	457.233346	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H+HCOOH"	47.012746
"235330"	438.24284	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+3H2O+2H"	56.04448
"1520147"	471.28539	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+IsoProp+H"	61.06479
"414365"	441.196788	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+Na+K"	61.952376
"774629"	646.307088	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+Na+K"	61.952376
"1676064"	236.086488	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Na+K"	61.952376
"259302"	884.456968	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+ACN+Na"	64.015768
"1233104"	474.236368	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+ACN+Na"	64.015768
"1716891"	474.259893	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+NH4+HCOOH"	64.039293
"1178836"	159.729418	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+3Na"	68.967654
"1653232"	479.215288	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Na+HCOOH"	68.994688
"164110"	897.36024	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+2K-H"	76.91904
"611216"	1307.58084	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+2K-H"	76.91904
"1096942"	487.13964	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2K-H"	76.91904
"155947"	449.183758	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"2M+2K"	77.926316
"593317"	654.294058	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"3M+2K"	77.926316
"1080017"	244.073458	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2K"	77.926316
"1114808"	489.154192	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2K+H"	78.933592
"1346328"	489.241807	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+DMSO+H"	79.021207
"1015954"	493.280976	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2ACN+H"	83.060376
"1528611"	494.274608	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+IsoProp+Na+H"	84.054008
"995058"	247.144126	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+2ACN+2H"	84.067652
"1590653"	495.189228	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+K+HCOOH"	84.968628
"1419593"	525.220738	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+H+CF3COOH"	115.000138
"1156441"	267.657401	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+3ACN+2H"	125.094202
"1712075"	542.247285	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+NH4+CF3COOH"	132.026685
"1648940"	547.20268	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+Na+CF3COOH"	136.98208
"1584953"	563.17662	"C14029"	"Trimipramine maleate"	"C20H26N2C4H4O4"	"410.2206"	"M+K+CF3COOH"	152.95602
"814227"	517.1631	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M"	0
"985573"	498.14471	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-H2O-H"	-19.01839
"76733"	343.768124	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M-3H"	-3.021828
"509004"	516.155824	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M-3H"	-3.021828
"890086"	171.380424	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-3H"	-3.021828
"15397"	516.155824	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M-2H"	-2.014552
"454670"	774.737374	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M-2H"	-2.014552
"830404"	257.574274	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-2H"	-2.014552
"94169"	1033.318924	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M-H"	-1.007276
"529959"	1550.482024	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M-H"	-1.007276
"910635"	516.155824	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-H"	-1.007276
"61889"	1050.345471	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M-2H+NH4"	16.019271
"500600"	1567.508571	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M-2H+NH4"	16.019271
"879256"	533.182371	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-2H+NH4"	16.019271
"45208"	1055.300866	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M-2H+Na"	20.974666
"483674"	1572.463966	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M-2H+Na"	20.974666
"859288"	538.137766	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-2H+Na"	20.974666
"1632469"	538.137766	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Na-2H"	20.974666
"107546"	534.144163	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M-H+Cl"	33.962126
"546013"	792.725713	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M-H+Cl"	33.962126
"938433"	275.562613	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-H+Cl"	33.962126
"278083"	1069.295602	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+Cl"	34.969402
"666133"	1586.458702	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+Cl"	34.969402
"1281817"	552.132502	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Cl"	34.969402
"20000"	1071.274806	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M-2H+K"	36.948606
"463934"	1588.437906	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M-2H+K"	36.948606
"841736"	554.111706	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-2H+K"	36.948606
"1565222"	554.111706	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+K-2H"	36.948606
"952015"	562.161294	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-H+HCOOH"	44.998194
"366950"	1079.324401	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+HCOOH-H"	44.998201
"354117"	1093.340051	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+Hac-H"	59.013851
"1501858"	576.176951	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Hac-H"	59.013851
"966121"	584.143251	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-H+NaCOOH"	66.980151
"115028"	552.132502	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+2Cl"	69.938804
"561149"	810.714052	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+2Cl"	69.938804
"1033227"	293.550952	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2Cl"	69.938804
"1247339"	596.081985	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Br"	78.918885
"1315251"	598.137972	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Cl+HCOOH"	80.974872
"1325093"	620.119929	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Cl+NaCOOH"	102.956829
"915058"	630.148686	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M-H+CF3COOH"	112.985586
"1291401"	666.125364	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Cl+CF3COOH"	148.962264
"1368833"	482.150424	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H-2H2O"	-35.012676
"1390705"	500.1604	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H-H2O"	-17.0027
"291485"	1035.333476	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+H"	1.007276
"677708"	1552.496576	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+H"	1.007276
"1351986"	518.170376	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H"	1.007276
"127306"	518.170376	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+2H"	2.014552
"569790"	776.751926	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+2H"	2.014552
"1048070"	259.588826	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2H"	2.014552
"218158"	345.782676	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+3H"	3.021828
"655529"	518.170376	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+3H"	3.021828
"1170377"	173.394976	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+3H"	3.021828
"431096"	1052.360023	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+NH4"	18.033823
"790634"	1569.523123	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+NH4"	18.033823
"1686600"	535.196923	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+NH4"	18.033823
"334881"	526.6836495	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+H+NH4"	19.041099
"724020"	785.2651995	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+H+NH4"	19.041099
"1482214"	268.1020995	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H+NH4"	19.041099
"394698"	1057.315418	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+Na"	22.989218
"757516"	1574.478518	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+Na"	22.989218
"1603789"	540.152318	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Na"	22.989218
"316743"	529.161347	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+H+Na"	23.996494
"710257"	787.742897	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+H+Na"	23.996494
"1462259"	270.579797	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H+Na"	23.996494
"1056600"	180.72229	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2H+Na"	25.00377
"1259372"	550.196586	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+CH3OH+H"	33.033486
"377940"	1073.289358	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+K"	38.963158
"738772"	1590.452458	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+K"	38.963158
"1540621"	556.126258	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+K"	38.963158
"299258"	537.148317	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+H+K"	39.970434
"696792"	795.729867	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+H+K"	39.970434
"1459732"	278.566767	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H+K"	39.970434
"251388"	1076.360026	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+ACN+H"	42.033826
"1225422"	559.196926	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+ACN+H"	42.033826
"1209634"	280.102101	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+ACN+2H"	43.041102
"203672"	1079.29736	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+2Na-H"	44.97116
"642825"	1596.46046	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+2Na-H"	44.97116
"1146792"	562.13426	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2Na-H"	44.97116
"188329"	540.152318	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+2Na"	45.978436
"628499"	798.733868	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+2Na"	45.978436
"1131153"	281.570768	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2Na"	45.978436
"1414073"	188.049604	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H+2Na"	46.985712
"1445256"	564.175846	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H+HCOOH"	47.012746
"235681"	545.18534	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+3H2O+2H"	56.04448
"1520257"	578.22789	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+IsoProp+H"	61.06479
"414475"	548.139288	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+Na+K"	61.952376
"775468"	806.720838	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+Na+K"	61.952376
"1671798"	289.557738	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Na+K"	61.952376
"253944"	1098.341968	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+ACN+Na"	64.015768
"1229933"	581.178868	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+ACN+Na"	64.015768
"1717001"	581.202393	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+NH4+HCOOH"	64.039293
"1180168"	195.376918	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+3Na"	68.967654
"1652978"	586.157788	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Na+HCOOH"	68.994688
"164220"	1111.24524	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+2K-H"	76.91904
"611693"	1628.40834	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+2K-H"	76.91904
"1099607"	594.08214	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2K-H"	76.91904
"156788"	556.126258	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"2M+2K"	77.926316
"595613"	814.707808	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"3M+2K"	77.926316
"1080127"	297.544708	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2K"	77.926316
"1114434"	596.096692	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2K+H"	78.933592
"1347532"	596.184307	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+DMSO+H"	79.021207
"1012780"	600.223476	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2ACN+H"	83.060376
"1532002"	601.217108	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+IsoProp+Na+H"	84.054008
"997355"	300.615376	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+2ACN+2H"	84.067652
"1592950"	602.131728	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+K+HCOOH"	84.968628
"1420796"	632.163238	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+H+CF3COOH"	115.000138
"1154364"	321.128651	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+3ACN+2H"	125.094202
"1711577"	649.189785	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+NH4+CF3COOH"	132.026685
"1649050"	654.14518	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+Na+CF3COOH"	136.98208
"1585063"	670.11912	"C14034"	"Piperacillin;Piperacillin anhydrous"	"C23H27N5O7S"	"517.1631"	"M+K+CF3COOH"	152.95602
"813244"	95.9534	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M"	0
"983497"	76.93501	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-H2O-H"	-19.01839
"75021"	62.9616573333333	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M-3H"	-3.021828
"509114"	94.946124	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M-3H"	-3.021828
"889103"	30.9771906666667	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-3H"	-3.021828
"12059"	94.946124	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M-2H"	-2.014552
"449433"	142.922824	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M-2H"	-2.014552
"832337"	46.969424	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-2H"	-2.014552
"94032"	190.899524	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M-H"	-1.007276
"530068"	286.852924	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M-H"	-1.007276
"911027"	94.946124	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-H"	-1.007276
"61756"	207.926071	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M-2H+NH4"	16.019271
"500710"	303.879471	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M-2H+NH4"	16.019271
"879327"	111.972671	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-2H+NH4"	16.019271
"43861"	212.881466	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M-2H+Na"	20.974666
"483784"	308.834866	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M-2H+Na"	20.974666
"858305"	116.928066	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-2H+Na"	20.974666
"1623462"	116.928066	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Na-2H"	20.974666
"104377"	112.934463	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M-H+Cl"	33.962126
"542843"	160.911163	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M-H+Cl"	33.962126
"936355"	64.957763	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-H+Cl"	33.962126
"274911"	226.876202	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+Cl"	34.969402
"666244"	322.829602	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+Cl"	34.969402
"1283020"	130.922802	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Cl"	34.969402
"25578"	228.855406	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M-2H+K"	36.948606
"464044"	324.808806	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M-2H+K"	36.948606
"841846"	132.902006	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-2H+K"	36.948606
"1565332"	132.902006	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+K-2H"	36.948606
"946654"	140.951594	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-H+HCOOH"	44.998194
"369247"	236.905001	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+HCOOH-H"	44.998201
"351311"	250.920651	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+Hac-H"	59.013851
"1501968"	154.967251	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Hac-H"	59.013851
"969511"	162.933551	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-H+NaCOOH"	66.980151
"115501"	130.922802	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+2Cl"	69.938804
"559072"	178.899502	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+2Cl"	69.938804
"1030057"	82.946102	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2Cl"	69.938804
"1247449"	174.872285	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Br"	78.918885
"1312082"	176.928272	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Cl+HCOOH"	80.974872
"1328484"	198.910229	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Cl+NaCOOH"	102.956829
"919543"	208.938986	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M-H+CF3COOH"	112.985586
"1291877"	244.915664	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Cl+CF3COOH"	148.962264
"1367484"	60.940724	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H-2H2O"	-35.012676
"1387535"	78.9507	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H-H2O"	-17.0027
"288315"	192.914076	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+H"	1.007276
"675749"	288.867476	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+H"	1.007276
"1351455"	96.960676	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H"	1.007276
"126323"	96.960676	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+2H"	2.014552
"569536"	144.937376	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+2H"	2.014552
"1045993"	48.983976	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2H"	2.014552
"217904"	64.9762093333333	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+3H"	3.021828
"653453"	96.960676	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+3H"	3.021828
"1169393"	32.9917426666667	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+3H"	3.021828
"428655"	209.940623	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+NH4"	18.033823
"790380"	305.894023	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+NH4"	18.033823
"1684523"	113.987223	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+NH4"	18.033823
"334991"	105.4739495	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+H+NH4"	19.041099
"723400"	153.4506495	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+H+NH4"	19.041099
"1479044"	57.4972495	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H+NH4"	19.041099
"393716"	214.896018	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+Na"	22.989218
"759813"	310.849418	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+Na"	22.989218
"1603537"	118.942618	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Na"	22.989218
"319040"	107.951647	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+H+Na"	23.996494
"709277"	155.928347	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+H+Na"	23.996494
"1462005"	59.974947	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H+Na"	23.996494
"1056346"	40.3190566666667	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2H+Na"	25.00377
"1258387"	128.986886	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+CH3OH+H"	33.033486
"379145"	230.869958	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+K"	38.963158
"739776"	326.823358	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+K"	38.963158
"1541830"	134.916558	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+K"	38.963158
"302285"	115.938617	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+H+K"	39.970434
"691543"	163.915317	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+H+K"	39.970434
"1454009"	67.961917	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H+K"	39.970434
"251249"	233.940626	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+ACN+H"	42.033826
"1223705"	137.987226	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+ACN+H"	42.033826
"1205401"	69.497251	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+ACN+2H"	43.041102
"199729"	236.87796	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+2Na-H"	44.97116
"641842"	332.83136	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+2Na-H"	44.97116
"1140243"	140.92456	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2Na-H"	44.97116
"188469"	118.942618	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+2Na"	45.978436
"625282"	166.919318	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+2Na"	45.978436
"1131061"	70.965918	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2Na"	45.978436
"1414102"	47.6463706666667	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H+2Na"	46.985712
"1438232"	142.966146	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H+HCOOH"	47.012746
"231209"	123.97564	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+3H2O+2H"	56.04448
"1517086"	157.01819	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+IsoProp+H"	61.06479
"412761"	126.929588	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+Na+K"	61.952376
"771569"	174.906288	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+Na+K"	61.952376
"1668993"	78.952888	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Na+K"	61.952376
"254054"	255.922568	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+ACN+Na"	64.015768
"1230043"	159.969168	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+ACN+Na"	64.015768
"1716018"	159.992693	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+NH4+HCOOH"	64.039293
"1179914"	54.9736846666667	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+3Na"	68.967654
"1653088"	164.948088	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Na+HCOOH"	68.994688
"166517"	268.82584	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+2K-H"	76.91904
"603889"	364.77924	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+2K-H"	76.91904
"1098256"	172.87244	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2K-H"	76.91904
"156044"	134.916558	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"2M+2K"	77.926316
"595481"	182.893258	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"3M+2K"	77.926316
"1078050"	86.939858	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2K"	77.926316
"1111258"	174.886992	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2K+H"	78.933592
"1342174"	174.974607	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+DMSO+H"	79.021207
"1011796"	179.013776	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2ACN+H"	83.060376
"1531018"	180.007408	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+IsoProp+Na+H"	84.054008
"996370"	90.010526	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+2ACN+2H"	84.067652
"1590873"	180.922028	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+K+HCOOH"	84.968628
"1418719"	210.953538	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+H+CF3COOH"	115.000138
"1151194"	110.523801	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+3ACN+2H"	125.094202
"1712295"	227.980085	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+NH4+CF3COOH"	132.026685
"1649160"	232.93548	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+Na+CF3COOH"	136.98208
"1585173"	248.90942	"C14039"	"11-Dichloroethylene;Vinylidene chloride;11-DCE"	"C2H2Cl2"	"95.9534"	"M+K+CF3COOH"	152.95602
"813354"	173.0477	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M"	0
"982513"	154.02931	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H2O-H"	-19.01839
"74766"	114.357857333333	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-3H"	-3.021828
"512501"	172.040424	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-3H"	-3.021828
"890306"	56.6752906666667	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-3H"	-3.021828
"8889"	172.040424	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H"	-2.014552
"446263"	258.564274	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H"	-2.014552
"830260"	85.516574	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H"	-2.014552
"92439"	345.088124	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-H"	-1.007276
"525804"	518.135824	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-H"	-1.007276
"909679"	172.040424	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H"	-1.007276
"61016"	362.114671	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H+NH4"	16.019271
"499727"	535.162371	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H+NH4"	16.019271
"874247"	189.066971	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H+NH4"	16.019271
"37771"	367.070066	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H+Na"	20.974666
"482801"	540.117766	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H+Na"	20.974666
"856229"	194.022366	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H+Na"	20.974666
"1621750"	194.022366	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na-2H"	20.974666
"104488"	190.028763	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-H+Cl"	33.962126
"544047"	276.552613	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-H+Cl"	33.962126
"934279"	103.504913	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+Cl"	33.962126
"279396"	381.064802	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Cl"	34.969402
"669634"	554.112502	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+Cl"	34.969402
"1282037"	208.017102	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl"	34.969402
"25689"	383.044006	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H+K"	36.948606
"464154"	556.091706	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H+K"	36.948606
"838675"	209.996306	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H+K"	36.948606
"1562162"	209.996306	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K-2H"	36.948606
"946765"	218.045894	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+HCOOH"	44.998194
"369357"	391.093601	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+HCOOH-H"	44.998201
"351057"	405.109251	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Hac-H"	59.013851
"1504265"	232.061551	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Hac-H"	59.013851
"970715"	240.027851	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+NaCOOH"	66.980151
"118528"	208.017102	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2Cl"	69.938804
"556995"	294.540952	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2Cl"	69.938804
"1034177"	121.493252	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2Cl"	69.938804
"1251933"	251.966585	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Br"	78.918885
"1310006"	254.022572	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl+HCOOH"	80.974872
"1329689"	276.004529	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl+NaCOOH"	102.956829
"919653"	286.033286	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+CF3COOH"	112.985586
"1291987"	322.009964	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl+CF3COOH"	148.962264
"1369054"	138.035024	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H-2H2O"	-35.012676
"1388738"	156.045	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H-H2O"	-17.0027
"283075"	347.102676	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H"	1.007276
"676346"	520.150376	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H"	1.007276
"1353542"	174.054976	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H"	1.007276
"126674"	174.054976	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2H"	2.014552
"570010"	260.578826	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2H"	2.014552
"1046103"	87.531126	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2H"	2.014552
"218014"	116.372409333333	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+3H"	3.021828
"653563"	174.054976	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+3H"	3.021828
"1173877"	58.6898426666667	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+3H"	3.021828
"433868"	364.129223	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+NH4"	18.033823
"789396"	537.176923	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+NH4"	18.033823
"1687914"	191.081523	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+NH4"	18.033823
"334007"	182.5682495	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H+NH4"	19.041099
"727519"	269.0920995	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H+NH4"	19.041099
"1482436"	96.0443995	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+NH4"	19.041099
"400024"	369.084618	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Na"	22.989218
"762112"	542.132318	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+Na"	22.989218
"1611306"	196.036918	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na"	22.989218
"327903"	185.045947	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H+Na"	23.996494
"713764"	271.569797	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H+Na"	23.996494
"1468678"	98.522097	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+Na"	23.996494
"1057550"	66.0171566666667	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2H+Na"	25.00377
"1259229"	206.081186	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+CH3OH+H"	33.033486
"379623"	385.058558	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+K"	38.963158
"743168"	558.106258	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+K"	38.963158
"1544128"	212.010858	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K"	38.963158
"306770"	193.032917	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H+K"	39.970434
"691618"	279.556767	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H+K"	39.970434
"1455210"	106.509067	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+K"	39.970434
"244908"	388.129226	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+ACN+H"	42.033826
"1221264"	215.081526	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+ACN+H"	42.033826
"1204417"	108.044401	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+ACN+2H"	43.041102
"201296"	391.06656	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2Na-H"	44.97116
"632837"	564.11426	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2Na-H"	44.97116
"1136342"	218.01886	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2Na-H"	44.97116
"182914"	196.036918	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2Na"	45.978436
"621380"	282.560768	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2Na"	45.978436
"1125982"	109.513068	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2Na"	45.978436
"1412791"	73.3444706666667	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+2Na"	46.985712
"1438342"	220.060446	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+HCOOH"	47.012746
"224028"	201.06994	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+3H2O+2H"	56.04448
"1515010"	234.11249	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+IsoProp+H"	61.06479
"411412"	204.023888	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Na+K"	61.952376
"772771"	290.547738	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+Na+K"	61.952376
"1667278"	117.500038	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na+K"	61.952376
"260723"	410.111168	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+ACN+Na"	64.015768
"1238174"	237.063468	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+ACN+Na"	64.015768
"1715764"	237.086993	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+NH4+HCOOH"	64.039293
"1180024"	80.6717846666667	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+3Na"	68.967654
"1651374"	242.042388	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na+HCOOH"	68.994688
"162252"	423.01444	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2K-H"	76.91904
"603268"	596.06214	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2K-H"	76.91904
"1096179"	249.96674	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2K-H"	76.91904
"155668"	212.010858	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2K"	77.926316
"593645"	298.534708	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2K"	77.926316
"1081440"	125.487008	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2K"	77.926316
"1110275"	251.981292	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2K+H"	78.933592
"1341191"	252.068907	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+DMSO+H"	79.021207
"1010813"	256.108076	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2ACN+H"	83.060376
"1530033"	257.101708	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+IsoProp+Na+H"	84.054008
"993564"	128.557676	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2ACN+2H"	84.067652
"1590983"	258.016328	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K+HCOOH"	84.968628
"1416275"	288.047838	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+CF3COOH"	115.000138
"1147207"	149.070951	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+3ACN+2H"	125.094202
"1712527"	305.074385	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+NH4+CF3COOH"	132.026685
"1649634"	310.02978	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na+CF3COOH"	136.98208
"1585283"	326.00372	"C14040"	"1-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K+CF3COOH"	152.95602
"811277"	149.8942	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M"	0
"988090"	130.87581	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-H2O-H"	-19.01839
"75969"	98.9221906666667	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M-3H"	-3.021828
"511518"	148.886924	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M-3H"	-3.021828
"890416"	48.9574573333333	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-3H"	-3.021828
"11182"	148.886924	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M-2H"	-2.014552
"454634"	223.834024	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M-2H"	-2.014552
"830369"	73.939824	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-2H"	-2.014552
"93647"	298.781124	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M-H"	-1.007276
"529194"	448.675324	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M-H"	-1.007276
"910644"	148.886924	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-H"	-1.007276
"59181"	315.807671	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M-2H+NH4"	16.019271
"501906"	465.701871	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M-2H+NH4"	16.019271
"874357"	165.913471	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-2H+NH4"	16.019271
"37881"	320.763066	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M-2H+Na"	20.974666
"480725"	470.657266	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M-2H+Na"	20.974666
"856339"	170.868866	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-2H+Na"	20.974666
"1623682"	170.868866	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Na-2H"	20.974666
"109829"	166.875263	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M-H+Cl"	33.962126
"549381"	241.822363	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M-H+Cl"	33.962126
"936576"	91.928163	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-H+Cl"	33.962126
"279506"	334.757802	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+Cl"	34.969402
"671931"	484.652002	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+Cl"	34.969402
"1283241"	184.863602	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Cl"	34.969402
"25799"	336.737006	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M-2H+K"	36.948606
"458796"	486.631206	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M-2H+K"	36.948606
"838785"	186.842806	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-2H+K"	36.948606
"1564459"	186.842806	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+K-2H"	36.948606
"952343"	194.892394	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-H+HCOOH"	44.998194
"367281"	344.786601	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+HCOOH-H"	44.998201
"357363"	358.802251	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+Hac-H"	59.013851
"1503282"	208.908051	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Hac-H"	59.013851
"973786"	216.874351	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-H+NaCOOH"	66.980151
"121918"	184.863602	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+2Cl"	69.938804
"558199"	259.810702	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+2Cl"	69.938804
"1036474"	109.916502	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2Cl"	69.938804
"1249856"	228.813085	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Br"	78.918885
"1314491"	230.869072	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Cl+HCOOH"	80.974872
"1327613"	252.851029	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Cl+NaCOOH"	102.956829
"921951"	262.879786	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M-H+CF3COOH"	112.985586
"1294283"	298.856464	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Cl+CF3COOH"	148.962264
"1370257"	114.881524	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H-2H2O"	-35.012676
"1384475"	132.8915	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H-H2O"	-17.0027
"288535"	300.795676	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+H"	1.007276
"676093"	450.689876	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+H"	1.007276
"1353652"	150.901476	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H"	1.007276
"126906"	150.901476	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+2H"	2.014552
"567568"	225.848576	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+2H"	2.014552
"1042933"	75.954376	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2H"	2.014552
"219425"	100.936742666667	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+3H"	3.021828
"657321"	150.901476	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+3H"	3.021828
"1173624"	50.9720093333333	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+3H"	3.021828
"429605"	317.822223	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+NH4"	18.033823
"789507"	467.716423	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+NH4"	18.033823
"1688026"	167.928023	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+NH4"	18.033823
"334118"	159.4147495	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+H+NH4"	19.041099
"728726"	234.3618495	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+H+NH4"	19.041099
"1480359"	84.4676495	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H+NH4"	19.041099
"405602"	322.777618	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+Na"	22.989218
"766598"	472.671818	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+Na"	22.989218
"1616160"	172.883418	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Na"	22.989218
"327650"	161.892447	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+H+Na"	23.996494
"720073"	236.839547	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+H+Na"	23.996494
"1470976"	86.945347	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H+Na"	23.996494
"1063128"	58.2993233333333	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2H+Na"	25.00377
"1259340"	182.927686	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+CH3OH+H"	33.033486
"379370"	338.751558	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+K"	38.963158
"739511"	488.645758	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+K"	38.963158
"1542053"	188.857358	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+K"	38.963158
"305787"	169.879417	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+H+K"	39.970434
"692378"	244.826517	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+H+K"	39.970434
"1454227"	94.932317	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H+K"	39.970434
"245747"	341.822226	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+ACN+H"	42.033826
"1221738"	191.928026	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+ACN+H"	42.033826
"1205620"	96.467651	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+ACN+2H"	43.041102
"198854"	344.75956	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+2Na-H"	44.97116
"636227"	494.65376	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+2Na-H"	44.97116
"1139732"	194.86536	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2Na-H"	44.97116
"177917"	172.883418	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+2Na"	45.978436
"621490"	247.830518	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+2Na"	45.978436
"1128279"	97.936318	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2Na"	45.978436
"1412780"	65.6266373333333	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H+2Na"	46.985712
"1437357"	196.906946	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H+HCOOH"	47.012746
"227054"	177.91644	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+3H2O+2H"	56.04448
"1518036"	210.95899	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+IsoProp+H"	61.06479
"416988"	180.870388	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+Na+K"	61.952376
"773611"	255.817488	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+Na+K"	61.952376
"1668117"	105.923288	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Na+K"	61.952376
"262656"	363.804168	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+ACN+Na"	64.015768
"1239013"	213.909968	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+ACN+Na"	64.015768
"1715874"	213.933493	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+NH4+HCOOH"	64.039293
"1180134"	72.9539513333333	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+3Na"	68.967654
"1651484"	218.888888	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Na+HCOOH"	68.994688
"164549"	376.70744	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+2K-H"	76.91904
"604106"	526.60164	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+2K-H"	76.91904
"1098354"	226.81324	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2K-H"	76.91904
"156876"	188.857358	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"2M+2K"	77.926316
"590475"	263.804458	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"3M+2K"	77.926316
"1084069"	113.910258	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2K"	77.926316
"1113544"	228.827792	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2K+H"	78.933592
"1340208"	228.915407	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+DMSO+H"	79.021207
"1008736"	232.954576	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2ACN+H"	83.060376
"1526863"	233.948208	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+IsoProp+Na+H"	84.054008
"990758"	116.980926	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+2ACN+2H"	84.067652
"1589270"	234.862828	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+K+HCOOH"	84.968628
"1415290"	264.894338	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+H+CF3COOH"	115.000138
"1148496"	137.494201	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+3ACN+2H"	125.094202
"1712356"	281.920885	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+NH4+CF3COOH"	132.026685
"1645369"	286.87628	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+Na+CF3COOH"	136.98208
"1585393"	302.85022	"C14042"	"Sodium iodide"	"NaI"	"149.8942"	"M+K+CF3COOH"	152.95602
"811387"	290.1882	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M"	0
"982733"	271.16981	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-H2O-H"	-19.01839
"72069"	192.451524	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M-3H"	-3.021828
"507254"	289.180924	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M-3H"	-3.021828
"883961"	95.722124	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-3H"	-3.021828
"9104"	289.180924	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M-2H"	-2.014552
"449762"	434.275024	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M-2H"	-2.014552
"826468"	144.086824	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-2H"	-2.014552
"93266"	579.369124	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M-H"	-1.007276
"528210"	869.557324	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M-H"	-1.007276
"908197"	289.180924	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-H"	-1.007276
"59291"	596.395671	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M-2H+NH4"	16.019271
"498854"	886.583871	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M-2H+NH4"	16.019271
"876289"	306.207471	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-2H+NH4"	16.019271
"39084"	601.351066	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M-2H+Na"	20.974666
"481927"	891.539266	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M-2H+Na"	20.974666
"858634"	311.162866	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-2H+Na"	20.974666
"1624886"	311.162866	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Na-2H"	20.974666
"103613"	307.169263	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M-H+Cl"	33.962126
"546452"	452.263363	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M-H+Cl"	33.962126
"936685"	162.075163	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-H+Cl"	33.962126
"276336"	615.345802	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+Cl"	34.969402
"666574"	905.534002	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+Cl"	34.969402
"1283350"	325.157602	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Cl"	34.969402
"25908"	617.325006	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M-2H+K"	36.948606
"458906"	907.513206	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M-2H+K"	36.948606
"842175"	327.136806	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-2H+K"	36.948606
"1565662"	327.136806	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+K-2H"	36.948606
"951358"	335.186394	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-H+HCOOH"	44.998194
"370671"	625.374601	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+HCOOH-H"	44.998201
"355650"	639.390251	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+Hac-H"	59.013851
"1502298"	349.202051	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Hac-H"	59.013851
"965468"	357.168351	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-H+NaCOOH"	66.980151
"117655"	325.157602	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+2Cl"	69.938804
"555029"	470.251702	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+2Cl"	69.938804
"1032575"	180.063502	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2Cl"	69.938804
"1247779"	369.107085	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Br"	78.918885
"1313508"	371.163072	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Cl+HCOOH"	80.974872
"1328817"	393.145029	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Cl+NaCOOH"	102.956829
"917686"	403.173786	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M-H+CF3COOH"	112.985586
"1292206"	439.150464	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Cl+CF3COOH"	148.962264
"1370366"	255.175524	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H-2H2O"	-35.012676
"1383488"	273.1855	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H-H2O"	-17.0027
"283419"	581.383676	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+H"	1.007276
"676079"	871.571876	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+H"	1.007276
"1352668"	291.195476	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H"	1.007276
"126286"	291.195476	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+2H"	2.014552
"567678"	436.289576	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+2H"	2.014552
"1040856"	146.101376	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2H"	2.014552
"219818"	194.466076	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+3H"	3.021828
"655972"	291.195476	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+3H"	3.021828
"1171911"	97.736676	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+3H"	3.021828
"430808"	598.410223	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+NH4"	18.033823
"790711"	888.598423	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+NH4"	18.033823
"1688136"	308.222023	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+NH4"	18.033823
"335321"	299.7087495	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+H+NH4"	19.041099
"729929"	444.8028495	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+H+NH4"	19.041099
"1482655"	154.6146495	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H+NH4"	19.041099
"403525"	603.365618	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+Na"	22.989218
"766708"	893.553818	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+Na"	22.989218
"1618092"	313.177418	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Na"	22.989218
"328124"	302.186447	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+H+Na"	23.996494
"721275"	447.280547	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+H+Na"	23.996494
"1474002"	157.092347	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H+Na"	23.996494
"1063238"	105.06399	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2H+Na"	25.00377
"1259450"	323.221686	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+CH3OH+H"	33.033486
"380210"	619.339558	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+K"	38.963158
"740476"	909.527758	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+K"	38.963158
"1545445"	329.151358	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+K"	38.963158
"303710"	310.173417	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+H+K"	39.970434
"693217"	455.267517	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+H+K"	39.970434
"1454337"	165.079317	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H+K"	39.970434
"242940"	622.410226	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+ACN+H"	42.033826
"1225051"	332.222026	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+ACN+H"	42.033826
"1206096"	166.614651	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+ACN+2H"	43.041102
"201153"	625.34756	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+2Na-H"	44.97116
"638525"	915.53576	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+2Na-H"	44.97116
"1139842"	335.15936	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2Na-H"	44.97116
"178027"	313.177418	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+2Na"	45.978436
"621600"	458.271518	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+2Na"	45.978436
"1129849"	168.083318	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2Na"	45.978436
"1413579"	112.391304	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H+2Na"	46.985712
"1444758"	337.200946	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H+HCOOH"	47.012746
"233358"	318.21044	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+3H2O+2H"	56.04448
"1516323"	351.25299	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+IsoProp+H"	61.06479
"416005"	321.164388	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+Na+K"	61.952376
"775908"	466.258488	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+Na+K"	61.952376
"1670414"	176.070288	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Na+K"	61.952376
"259850"	644.392168	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+ACN+Na"	64.015768
"1231100"	354.203968	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+ACN+Na"	64.015768
"1721452"	354.227493	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+NH4+HCOOH"	64.039293
"1185713"	119.718618	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+3Na"	68.967654
"1652324"	359.182888	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Na+HCOOH"	68.994688
"165388"	657.29544	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+2K-H"	76.91904
"603123"	947.48364	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+2K-H"	76.91904
"1097491"	367.10724	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2K-H"	76.91904
"155888"	329.151358	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"2M+2K"	77.926316
"588398"	474.245458	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"3M+2K"	77.926316
"1078379"	184.057258	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2K"	77.926316
"1113654"	369.121792	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2K+H"	78.933592
"1340318"	369.209407	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+DMSO+H"	79.021207
"1007387"	373.248576	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2ACN+H"	83.060376
"1529159"	374.242208	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+IsoProp+Na+H"	84.054008
"992326"	187.127926	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+2ACN+2H"	84.067652
"1588286"	375.156828	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+K+HCOOH"	84.968628
"1414204"	405.188338	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+H+CF3COOH"	115.000138
"1147348"	207.641201	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+3ACN+2H"	125.094202
"1712629"	422.214885	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+NH4+CF3COOH"	132.026685
"1645479"	427.17028	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+Na+CF3COOH"	136.98208
"1585503"	443.14422	"C14043"	"ML-236C"	"C18H26O3"	"290.1882"	"M+K+CF3COOH"	152.95602
"810404"	382.2508	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M"	0
"979563"	363.23241	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H2O-H"	-19.01839
"72179"	253.826590666667	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-3H"	-3.021828
"506271"	381.243524	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-3H"	-3.021828
"884071"	126.409657333333	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-3H"	-3.021828
"9214"	381.243524	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H"	-2.014552
"449872"	572.368924	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H"	-2.014552
"832045"	190.118124	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H"	-2.014552
"93131"	763.494324	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-H"	-1.007276
"528320"	1145.745124	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-H"	-1.007276
"906120"	381.243524	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H"	-1.007276
"59400"	780.520871	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H+NH4"	16.019271
"500057"	1162.771671	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H+NH4"	16.019271
"875306"	398.270071	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H+NH4"	16.019271
"37007"	785.476266	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H+Na"	20.974666
"482037"	1167.727066	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H+Na"	20.974666
"855464"	403.225466	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H+Na"	20.974666
"1621716"	403.225466	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na-2H"	20.974666
"108096"	399.231863	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-H+Cl"	33.962126
"546562"	590.357263	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-H+Cl"	33.962126
"936795"	208.106463	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+Cl"	33.962126
"273165"	799.471002	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Cl"	34.969402
"672151"	1181.721802	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+Cl"	34.969402
"1283460"	417.220202	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl"	34.969402
"28205"	801.450206	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H+K"	36.948606
"461203"	1183.701006	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H+K"	36.948606
"842285"	419.199406	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H+K"	36.948606
"1562492"	419.199406	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K-2H"	36.948606
"950375"	427.248994	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+HCOOH"	44.998194
"369687"	809.499801	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+HCOOH-H"	44.998201
"351387"	823.515451	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Hac-H"	59.013851
"1502408"	441.264651	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Hac-H"	59.013851
"967765"	449.230951	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+NaCOOH"	66.980151
"117765"	417.220202	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2Cl"	69.938804
"555139"	608.345602	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2Cl"	69.938804
"1033415"	226.094802	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2Cl"	69.938804
"1248983"	461.169685	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Br"	78.918885
"1313618"	463.225672	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl+HCOOH"	80.974872
"1328927"	485.207629	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl+NaCOOH"	102.956829
"916703"	495.236386	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+CF3COOH"	112.985586
"1292317"	531.213064	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl+CF3COOH"	148.962264
"1370477"	347.238124	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H-2H2O"	-35.012676
"1382869"	365.2481	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H-H2O"	-17.0027
"282983"	765.508876	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H"	1.007276
"676798"	1147.759676	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H"	1.007276
"1353508"	383.258076	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H"	1.007276
"126031"	383.258076	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2H"	2.014552
"568152"	574.383476	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2H"	2.014552
"1042059"	192.132676	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2H"	2.014552
"218712"	255.841142666667	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+3H"	3.021828
"654990"	383.258076	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+3H"	3.021828
"1172021"	128.424209333333	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+3H"	3.021828
"432010"	782.535423	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+NH4"	18.033823
"794101"	1164.786223	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+NH4"	18.033823
"1691526"	400.284623	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+NH4"	18.033823
"336524"	391.7713495	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H+NH4"	19.041099
"731130"	582.8967495	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H+NH4"	19.041099
"1484952"	200.6459495	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+NH4"	19.041099
"402537"	787.490818	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Na"	22.989218
"760257"	1169.741618	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+Na"	22.989218
"1613823"	405.240018	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na"	22.989218
"328234"	394.249047	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H+Na"	23.996494
"721385"	585.374447	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H+Na"	23.996494
"1474476"	203.123647	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+Na"	23.996494
"1060067"	135.751523333333	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2H+Na"	25.00377
"1260653"	415.284286	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+CH3OH+H"	33.033486
"384695"	803.464758	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+K"	38.963158
"742409"	1185.715558	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+K"	38.963158
"1548835"	421.213958	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K"	38.963158
"303820"	402.236017	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H+K"	39.970434
"693693"	593.361417	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H+K"	39.970434
"1451167"	211.110617	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+K"	39.970434
"240863"	806.535426	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+ACN+H"	42.033826
"1225120"	424.284626	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+ACN+H"	42.033826
"1207300"	212.645951	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+ACN+2H"	43.041102
"203086"	809.47276	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2Na-H"	44.97116
"639728"	1191.72356	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2Na-H"	44.97116
"1139952"	427.22196	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2Na-H"	44.97116
"177773"	405.240018	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2Na"	45.978436
"621710"	596.365418	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2Na"	45.978436
"1127404"	214.114618	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2Na"	45.978436
"1413731"	143.078837333333	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+2Na"	46.985712
"1444869"	429.263546	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+HCOOH"	47.012746
"233468"	410.27304	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+3H2O+2H"	56.04448
"1518620"	443.31559	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+IsoProp+H"	61.06479
"413930"	413.226988	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Na+K"	61.952376
"774561"	604.352388	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+Na+K"	61.952376
"1671254"	222.101588	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na+K"	61.952376
"257773"	828.517368	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+ACN+Na"	64.015768
"1232669"	446.266568	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+ACN+Na"	64.015768
"1717188"	446.290093	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+NH4+HCOOH"	64.039293
"1180718"	150.406151333333	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+3Na"	68.967654
"1651703"	451.245488	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na+HCOOH"	68.994688
"169143"	841.42064	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2K-H"	76.91904
"606516"	1223.67144	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2K-H"	76.91904
"1098818"	459.16984	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2K-H"	76.91904
"156240"	421.213958	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2K"	77.926316
"589601"	612.339358	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2K"	77.926316
"1078489"	230.088558	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2K"	77.926316
"1104044"	461.184392	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2K+H"	78.933592
"1339334"	461.272007	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+DMSO+H"	79.021207
"1010049"	465.311176	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2ACN+H"	83.060376
"1529269"	466.304808	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+IsoProp+Na+H"	84.054008
"992800"	233.159226	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2ACN+2H"	84.067652
"1590219"	467.219428	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K+HCOOH"	84.968628
"1414177"	497.250938	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+CF3COOH"	115.000138
"1149446"	253.672501	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+3ACN+2H"	125.094202
"1712500"	514.277485	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+NH4+CF3COOH"	132.026685
"1645589"	519.23288	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na+CF3COOH"	136.98208
"1585613"	535.20682	"C14044"	"C25-Allenic-apo-aldehyde;(3S5R6R)-35-Dihydroxy-67-didehydro-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K+CF3COOH"	152.95602
"815497"	382.2508	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M"	0
"985140"	363.23241	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H2O-H"	-19.01839
"77524"	253.826590666667	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-3H"	-3.021828
"518298"	381.243524	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-3H"	-3.021828
"894876"	126.409657333333	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-3H"	-3.021828
"3125"	381.243524	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H"	-2.014552
"451075"	572.368924	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H"	-2.014552
"828876"	190.118124	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H"	-2.014552
"91054"	763.494324	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-H"	-1.007276
"532072"	1145.745124	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-H"	-1.007276
"909511"	381.243524	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H"	-1.007276
"60241"	780.520871	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H+NH4"	16.019271
"500046"	1162.771671	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H+NH4"	16.019271
"876145"	398.270071	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H+NH4"	16.019271
"38210"	785.476266	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H+Na"	20.974666
"481053"	1167.727066	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H+Na"	20.974666
"854481"	403.225466	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H+Na"	20.974666
"1621826"	403.225466	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na-2H"	20.974666
"106020"	399.231863	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-H+Cl"	33.962126
"549509"	590.357263	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-H+Cl"	33.962126
"939092"	208.106463	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+Cl"	33.962126
"276556"	799.471002	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Cl"	34.969402
"674449"	1181.721802	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+Cl"	34.969402
"1283569"	417.220202	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl"	34.969402
"29410"	801.450206	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M-2H+K"	36.948606
"466780"	1183.701006	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M-2H+K"	36.948606
"839113"	419.199406	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-2H+K"	36.948606
"1565882"	419.199406	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K-2H"	36.948606
"950485"	427.248994	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+HCOOH"	44.998194
"374171"	809.499801	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+HCOOH-H"	44.998201
"349310"	823.515451	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Hac-H"	59.013851
"1505798"	441.264651	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Hac-H"	59.013851
"966052"	449.230951	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+NaCOOH"	66.980151
"124800"	417.220202	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2Cl"	69.938804
"562905"	608.345602	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2Cl"	69.938804
"1036319"	226.094802	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2Cl"	69.938804
"1252373"	461.169685	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Br"	78.918885
"1315915"	463.225672	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl+HCOOH"	80.974872
"1331224"	485.207629	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl+NaCOOH"	102.956829
"917907"	495.236386	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M-H+CF3COOH"	112.985586
"1294614"	531.213064	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Cl+CF3COOH"	148.962264
"1373867"	347.238124	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H-2H2O"	-35.012676
"1389177"	365.2481	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H-H2O"	-17.0027
"285584"	765.508876	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H"	1.007276
"678004"	1147.759676	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H"	1.007276
"1352165"	383.258076	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H"	1.007276
"127238"	383.258076	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2H"	2.014552
"567534"	574.383476	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2H"	2.014552
"1048368"	192.132676	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2H"	2.014552
"219308"	255.841142666667	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+3H"	3.021828
"655464"	383.258076	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+3H"	3.021828
"1171038"	128.424209333333	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+3H"	3.021828
"433216"	782.535423	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+NH4"	18.033823
"794212"	1164.786223	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+NH4"	18.033823
"1688355"	400.284623	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+NH4"	18.033823
"337729"	391.7713495	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H+NH4"	19.041099
"726870"	582.8967495	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H+NH4"	19.041099
"1481783"	200.6459495	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+NH4"	19.041099
"398274"	787.490818	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Na"	22.989218
"766928"	1169.741618	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+Na"	22.989218
"1613569"	405.240018	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na"	22.989218
"327980"	394.249047	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H+Na"	23.996494
"720768"	585.374447	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H+Na"	23.996494
"1474588"	203.123647	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+Na"	23.996494
"1063461"	135.751523333333	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2H+Na"	25.00377
"1265139"	415.284286	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+CH3OH+H"	33.033486
"381526"	803.464758	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+K"	38.963158
"745801"	1185.715558	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+K"	38.963158
"1546758"	421.213958	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K"	38.963158
"305026"	402.236017	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+H+K"	39.970434
"695267"	593.361417	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+H+K"	39.970434
"1459664"	211.110617	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+K"	39.970434
"242066"	806.535426	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+ACN+H"	42.033826
"1222068"	424.284626	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+ACN+H"	42.033826
"1205221"	212.645951	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+ACN+2H"	43.041102
"201008"	809.47276	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2Na-H"	44.97116
"639839"	1191.72356	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2Na-H"	44.97116
"1141158"	427.22196	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2Na-H"	44.97116
"182261"	405.240018	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2Na"	45.978436
"626197"	596.365418	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2Na"	45.978436
"1124234"	214.114618	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2Na"	45.978436
"1409946"	143.078837333333	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+2Na"	46.985712
"1438783"	429.263546	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+HCOOH"	47.012746
"230666"	410.27304	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+3H2O+2H"	56.04448
"1515450"	443.31559	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+IsoProp+H"	61.06479
"412948"	413.226988	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+Na+K"	61.952376
"776127"	604.352388	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+Na+K"	61.952376
"1671364"	222.101588	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na+K"	61.952376
"255332"	828.517368	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+ACN+Na"	64.015768
"1232415"	446.266568	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+ACN+Na"	64.015768
"1721309"	446.290093	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+NH4+HCOOH"	64.039293
"1179043"	150.406151333333	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+3Na"	68.967654
"1654733"	451.245488	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na+HCOOH"	68.994688
"169253"	841.42064	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2K-H"	76.91904
"606626"	1223.67144	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2K-H"	76.91904
"1095524"	459.16984	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2K-H"	76.91904
"150151"	421.213958	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"2M+2K"	77.926316
"583513"	612.339358	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"3M+2K"	77.926316
"1077504"	230.088558	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2K"	77.926316
"1107433"	461.184392	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2K+H"	78.933592
"1339807"	461.272007	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+DMSO+H"	79.021207
"1008700"	465.311176	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2ACN+H"	83.060376
"1530473"	466.304808	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+IsoProp+Na+H"	84.054008
"993640"	233.159226	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+2ACN+2H"	84.067652
"1592516"	467.219428	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K+HCOOH"	84.968628
"1420362"	497.250938	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+H+CF3COOH"	115.000138
"1152836"	253.672501	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+3ACN+2H"	125.094202
"1712239"	514.277485	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+NH4+CF3COOH"	132.026685
"1645699"	519.23288	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+Na+CF3COOH"	136.98208
"1585723"	535.20682	"C14045"	"C25-Epoxy-apo-aldehyde;(3S5R6S)-56-Epoxy-3-hydroxy-56-dihydro-12-apo-beta-caroten-12-al"	"C25H34O3"	"382.2508"	"M+K+CF3COOH"	152.95602
"809531"	898.3156	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M"	0
"979783"	879.29721	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-H2O-H"	-19.01839
"76774"	597.869790666667	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M-3H"	-3.021828
"515239"	897.308324	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M-3H"	-3.021828
"886479"	298.431257333333	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-3H"	-3.021828
"7246"	897.308324	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M-2H"	-2.014552
"452280"	1346.466124	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M-2H"	-2.014552
"827892"	448.150524	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-2H"	-2.014552
"91163"	1795.623924	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M-H"	-1.007276
"532305"	2693.939524	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M-H"	-1.007276
"909742"	897.308324	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-H"	-1.007276
"59617"	1812.650471	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M-2H+NH4"	16.019271
"502228"	2710.966071	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M-2H+NH4"	16.019271
"877472"	914.334871	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-2H+NH4"	16.019271
"42697"	1817.605866	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M-2H+Na"	20.974666
"479706"	2715.921466	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M-2H+Na"	20.974666
"853496"	919.290266	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-2H+Na"	20.974666
"1621206"	919.290266	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Na-2H"	20.974666
"109046"	915.296663	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M-H+Cl"	33.962126
"544595"	1364.454463	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M-H+Cl"	33.962126
"930454"	466.138863	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-H+Cl"	33.962126
"276666"	1831.600602	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+Cl"	34.969402
"670182"	2729.916202	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+Cl"	34.969402
"1280399"	933.285002	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Cl"	34.969402
"27331"	1833.579806	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M-2H+K"	36.948606
"461422"	2731.895406	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M-2H+K"	36.948606
"840319"	935.264206	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-2H+K"	36.948606
"1563806"	935.264206	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+K-2H"	36.948606
"952781"	943.313794	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-H+HCOOH"	44.998194
"373917"	1841.629401	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+HCOOH-H"	44.998201
"351607"	1855.645051	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+Hac-H"	59.013851
"1504815"	957.329451	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Hac-H"	59.013851
"972361"	965.295751	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-H+NaCOOH"	66.980151
"125275"	933.285002	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+2Cl"	69.938804
"564717"	1382.442802	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+2Cl"	69.938804
"1036636"	484.127202	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2Cl"	69.938804
"1254671"	977.234485	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Br"	78.918885
"1316025"	979.290472	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Cl+HCOOH"	80.974872
"1333521"	1001.272429	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Cl+NaCOOH"	102.956829
"918017"	1011.301186	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M-H+CF3COOH"	112.985586
"1294724"	1047.277864	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Cl+CF3COOH"	148.962264
"1377258"	863.302924	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H-2H2O"	-35.012676
"1391475"	881.3129	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H-H2O"	-17.0027
"290068"	1797.638476	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+H"	1.007276
"684675"	2695.954076	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+H"	1.007276
"1352640"	899.322876	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H"	1.007276
"127836"	899.322876	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+2H"	2.014552
"568372"	1348.480676	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+2H"	2.014552
"1048476"	450.165076	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2H"	2.014552
"218082"	599.884342666667	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+3H"	3.021828
"655574"	899.322876	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+3H"	3.021828
"1173334"	300.445809333333	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+3H"	3.021828
"436605"	1814.665023	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+NH4"	18.033823
"796509"	2712.980623	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+NH4"	18.033823
"1691745"	916.349423	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+NH4"	18.033823
"337839"	907.8361495	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+H+NH4"	19.041099
"729166"	1356.9939495	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+H+NH4"	19.041099
"1486264"	458.6783495	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H+NH4"	19.041099
"397292"	1819.620418	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+Na"	22.989218
"760477"	2717.936018	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+Na"	22.989218
"1609669"	921.304818	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Na"	22.989218
"326270"	910.313847	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+H+Na"	23.996494
"719421"	1359.471647	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+H+Na"	23.996494
"1472510"	461.156047	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H+Na"	23.996494
"1063207"	307.773123333333	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2H+Na"	25.00377
"1265249"	931.349086	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+CH3OH+H"	33.033486
"380543"	1835.594358	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+K"	38.963158
"749191"	2733.909958	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+K"	38.963158
"1550148"	937.278758	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+K"	38.963158
"305136"	918.300817	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+H+K"	39.970434
"691890"	1367.458617	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+H+K"	39.970434
"1459410"	469.143017	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H+K"	39.970434
"241084"	1838.665026	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+ACN+H"	42.033826
"1221084"	940.349426	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+ACN+H"	42.033826
"1204238"	470.678351	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+ACN+2H"	43.041102
"196014"	1841.60236	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+2Na-H"	44.97116
"635575"	2739.91796	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+2Na-H"	44.97116
"1139080"	943.28676	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2Na-H"	44.97116
"186137"	921.304818	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+2Na"	45.978436
"624484"	1370.462618	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+2Na"	45.978436
"1126530"	472.147018	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2Na"	45.978436
"1407868"	315.100437333333	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H+2Na"	46.985712
"1438893"	945.328346	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H+HCOOH"	47.012746
"232962"	926.33784	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+3H2O+2H"	56.04448
"1516652"	959.38039	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+IsoProp+H"	61.06479
"413057"	929.291788	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+Na+K"	61.952376
"775142"	1378.449588	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+Na+K"	61.952376
"1670015"	480.133988	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Na+K"	61.952376
"255806"	1860.646968	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+ACN+Na"	64.015768
"1232525"	962.331368	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+ACN+Na"	64.015768
"1721419"	962.354893	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+NH4+HCOOH"	64.039293
"1179193"	322.427751333333	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+3Na"	68.967654
"1654843"	967.310288	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Na+HCOOH"	68.994688
"169363"	1873.55024	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+2K-H"	76.91904
"607829"	2771.86584	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+2K-H"	76.91904
"1095633"	975.23464	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2K-H"	76.91904
"151354"	937.278758	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"2M+2K"	77.926316
"589821"	1386.436558	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"3M+2K"	77.926316
"1076521"	488.120958	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2K"	77.926316
"1106450"	977.249192	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2K+H"	78.933592
"1342834"	977.336807	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+DMSO+H"	79.021207
"1014643"	981.375976	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2ACN+H"	83.060376
"1532770"	982.369608	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+IsoProp+Na+H"	84.054008
"995937"	491.191626	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+2ACN+2H"	84.067652
"1593719"	983.284228	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+K+HCOOH"	84.968628
"1416098"	1013.315738	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+H+CF3COOH"	115.000138
"1155133"	511.704901	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+3ACN+2H"	125.094202
"1706879"	1030.342285	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+NH4+CF3COOH"	132.026685
"1644716"	1035.29768	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+Na+CF3COOH"	136.98208
"1585833"	1051.27162	"C14049"	"Glycyrrhizinate dipotassium;Dipotassium glycyrrhizate;Dipotassium (3beta20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate"	"C42H60O162K"	"898.3156"	"M+K+CF3COOH"	152.95602
"809641"	659.2989	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M"	0
"979893"	640.28051	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-H2O-H"	-19.01839
"74696"	438.525324	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M-3H"	-3.021828
"517537"	658.291624	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M-3H"	-3.021828
"890963"	218.759024	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-3H"	-3.021828
"2982"	658.291624	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M-2H"	-2.014552
"453482"	987.941074	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M-2H"	-2.014552
"828003"	328.642174	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-2H"	-2.014552
"92368"	1317.590524	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M-H"	-1.007276
"531565"	1976.889424	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M-H"	-1.007276
"908273"	658.291624	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-H"	-1.007276
"58635"	1334.617071	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M-2H+NH4"	16.019271
"498930"	1993.915971	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M-2H+NH4"	16.019271
"876004"	675.318171	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-2H+NH4"	16.019271
"44266"	1339.572466	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M-2H+Na"	20.974666
"481273"	1998.871366	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M-2H+Na"	20.974666
"851785"	680.273566	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-2H+Na"	20.974666
"1623144"	680.273566	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Na-2H"	20.974666
"108309"	676.279963	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M-H+Cl"	33.962126
"543612"	1005.929413	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M-H+Cl"	33.962126
"928378"	346.630513	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-H+Cl"	33.962126
"280788"	1353.567202	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+Cl"	34.969402
"669199"	2012.866102	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+Cl"	34.969402
"1280509"	694.268302	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Cl"	34.969402
"27441"	1355.546406	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M-2H+K"	36.948606
"464814"	2014.845306	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M-2H+K"	36.948606
"843710"	696.247506	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-2H+K"	36.948606
"1563916"	696.247506	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+K-2H"	36.948606
"952893"	704.297094	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-H+HCOOH"	44.998194
"374027"	1363.596001	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+HCOOH-H"	44.998201
"354997"	1377.611651	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+Hac-H"	59.013851
"1506748"	718.312751	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Hac-H"	59.013851
"972468"	726.279051	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-H+NaCOOH"	66.980151
"121375"	694.268302	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+2Cl"	69.938804
"558749"	1023.917752	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+2Cl"	69.938804
"1034839"	364.618852	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2Cl"	69.938804
"1255872"	738.217785	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Br"	78.918885
"1316134"	740.273772	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Cl+HCOOH"	80.974872
"1330349"	762.255729	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Cl+NaCOOH"	102.956829
"918125"	772.284486	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M-H+CF3COOH"	112.985586
"1295928"	808.261164	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Cl+CF3COOH"	148.962264
"1374088"	624.286224	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H-2H2O"	-35.012676
"1386118"	642.2962	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H-H2O"	-17.0027
"289085"	1319.605076	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+H"	1.007276
"678226"	1978.903976	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+H"	1.007276
"1355668"	660.306176	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H"	1.007276
"126367"	660.306176	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+2H"	2.014552
"568117"	989.955626	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+2H"	2.014552
"1047857"	330.656726	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2H"	2.014552
"218319"	440.539876	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+3H"	3.021828
"658247"	660.306176	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+3H"	3.021828
"1176000"	220.773576	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+3H"	3.021828
"437814"	1336.631623	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+NH4"	18.033823
"797715"	1995.930523	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+NH4"	18.033823
"1689671"	677.332723	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+NH4"	18.033823
"340136"	668.8194495	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+H+NH4"	19.041099
"730369"	998.4688995	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+H+NH4"	19.041099
"1483098"	339.1699995	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H+NH4"	19.041099
"400685"	1341.587018	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+Na"	22.989218
"767151"	2000.885918	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+Na"	22.989218
"1615248"	682.288118	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Na"	22.989218
"329302"	671.297147	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+H+Na"	23.996494
"721720"	1000.946597	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+H+Na"	23.996494
"1473715"	341.647697	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H+Na"	23.996494
"1065139"	228.10089	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2H+Na"	25.00377
"1269734"	692.332386	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+CH3OH+H"	33.033486
"387944"	1357.560958	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+K"	38.963158
"750031"	2016.859858	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+K"	38.963158
"1552082"	698.262058	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+K"	38.963158
"307434"	679.284117	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+H+K"	39.970434
"693661"	1008.933567	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+H+K"	39.970434
"1458791"	349.634667	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H+K"	39.970434
"247027"	1360.631626	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+ACN+H"	42.033826
"1221194"	701.332726	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+ACN+H"	42.033826
"1208361"	351.170001	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+ACN+2H"	43.041102
"201595"	1363.56896	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+2Na-H"	44.97116
"640059"	2022.86786	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+2Na-H"	44.97116
"1144295"	704.27006	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2Na-H"	44.97116
"187344"	682.288118	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+2Na"	45.978436
"627391"	1011.937568	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+2Na"	45.978436
"1127370"	352.638668	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2Na"	45.978436
"1410166"	235.428204	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H+2Na"	46.985712
"1439002"	706.311646	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H+HCOOH"	47.012746
"228700"	687.32114	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+3H2O+2H"	56.04448
"1513483"	720.36369	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+IsoProp+H"	61.06479
"414258"	690.275088	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+Na+K"	61.952376
"775255"	1019.924538	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+Na+K"	61.952376
"1669397"	360.625638	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Na+K"	61.952376
"255551"	1382.613568	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+ACN+Na"	64.015768
"1230448"	723.314668	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+ACN+Na"	64.015768
"1716058"	723.338193	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+NH4+HCOOH"	64.039293
"1181411"	242.755518	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+3Na"	68.967654
"1650620"	728.293588	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Na+HCOOH"	68.994688
"168380"	1395.51684	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+2K-H"	76.91904
"606846"	2054.81574	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+2K-H"	76.91904
"1095742"	736.21794	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2K-H"	76.91904
"150371"	698.262058	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"2M+2K"	77.926316
"588837"	1027.911508	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"3M+2K"	77.926316
"1076631"	368.612608	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2K"	77.926316
"1113852"	738.232492	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2K+H"	78.933592
"1347319"	738.320107	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+DMSO+H"	79.021207
"1010380"	742.359276	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2ACN+H"	83.060376
"1529600"	743.352908	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+IsoProp+Na+H"	84.054008
"996047"	371.683276	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+2ACN+2H"	84.067652
"1593829"	744.267528	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+K+HCOOH"	84.968628
"1417302"	774.299038	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+H+CF3COOH"	115.000138
"1155244"	392.196551	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+3ACN+2H"	125.094202
"1698235"	791.325585	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+NH4+CF3COOH"	132.026685
"1641546"	796.28098	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+Na+CF3COOH"	136.98208
"1585943"	812.25492	"C14053"	"910-Dihydroergocornine methanesulfonate"	"C31H41N5O5CH4SO3"	"659.2989"	"M+K+CF3COOH"	152.95602
"810844"	673.3145	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M"	0
"980003"	654.29611	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H2O-H"	-19.01839
"75899"	447.869057333333	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-3H"	-3.021828
"515460"	672.307224	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-3H"	-3.021828
"891073"	223.430890666667	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-3H"	-3.021828
"4185"	672.307224	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H"	-2.014552
"452499"	1008.964474	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H"	-2.014552
"829206"	335.649974	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H"	-2.014552
"93208"	1345.621724	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-H"	-1.007276
"532647"	2018.936224	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-H"	-1.007276
"908505"	672.307224	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H"	-1.007276
"61176"	1362.648271	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H+NH4"	16.019271
"501591"	2035.962771	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H+NH4"	16.019271
"875021"	689.333771	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H+NH4"	16.019271
"42189"	1367.603666	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H+Na"	20.974666
"479198"	2040.918166	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H+Na"	20.974666
"853716"	694.289166	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H+Na"	20.974666
"1623253"	694.289166	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na-2H"	20.974666
"109550"	690.295563	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-H+Cl"	33.962126
"544815"	1026.952813	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-H+Cl"	33.962126
"928852"	353.638313	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+Cl"	33.962126
"280169"	1381.598402	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Cl"	34.969402
"669309"	2054.912902	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+Cl"	34.969402
"1280619"	708.283902	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl"	34.969402
"26458"	1383.577606	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M-2H+K"	36.948606
"462738"	2056.892106	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M-2H+K"	36.948606
"846737"	710.263106	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-2H+K"	36.948606
"1568767"	710.263106	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K-2H"	36.948606
"949723"	718.312694	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+HCOOH"	44.998194
"376651"	1391.627201	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+HCOOH-H"	44.998201
"355107"	1405.642851	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Hac-H"	59.013851
"1507224"	732.328351	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Hac-H"	59.013851
"971850"	740.294651	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+NaCOOH"	66.980151
"122579"	708.283902	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2Cl"	69.938804
"558859"	1044.941152	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2Cl"	69.938804
"1030937"	371.626652	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2Cl"	69.938804
"1251610"	752.233385	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Br"	78.918885
"1311869"	754.289372	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl+HCOOH"	80.974872
"1328272"	776.271329	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl+NaCOOH"	102.956829
"918236"	786.300086	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M-H+CF3COOH"	112.985586
"1297129"	822.276764	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Cl+CF3COOH"	148.962264
"1375290"	638.301824	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H-2H2O"	-35.012676
"1391690"	656.3118	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H-H2O"	-17.0027
"285910"	1347.636276	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H"	1.007276
"679790"	2020.950776	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H"	1.007276
"1353586"	674.321776	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H"	1.007276
"126474"	674.321776	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2H"	2.014552
"568591"	1010.979026	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2H"	2.014552
"1049060"	337.664526	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2H"	2.014552
"219155"	449.883609333333	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+3H"	3.021828
"659081"	674.321776	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+3H"	3.021828
"1175746"	225.445442666667	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+3H"	3.021828
"437803"	1364.662823	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+NH4"	18.033823
"794545"	2037.977323	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+NH4"	18.033823
"1690874"	691.348323	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+NH4"	18.033823
"339153"	682.8350495	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H+NH4"	19.041099
"730479"	1019.4922995	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H+NH4"	19.041099
"1483208"	346.1777995	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+NH4"	19.041099
"400795"	1369.618218	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Na"	22.989218
"768352"	2042.932718	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+Na"	22.989218
"1614993"	696.303718	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na"	22.989218
"329532"	685.312747	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H+Na"	23.996494
"722316"	1021.969997	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H+Na"	23.996494
"1474553"	348.655497	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+Na"	23.996494
"1064885"	232.772756666667	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2H+Na"	25.00377
"1264376"	706.347986	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+CH3OH+H"	33.033486
"386961"	1385.592158	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+K"	38.963158
"748318"	2058.906658	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+K"	38.963158
"1553285"	712.277658	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K"	38.963158
"307544"	693.299717	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+H+K"	39.970434
"692313"	1029.956967	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+H+K"	39.970434
"1458170"	356.642467	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+K"	39.970434
"244585"	1388.662826	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+ACN+H"	42.033826
"1221668"	715.348326	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+ACN+H"	42.033826
"1209199"	358.177801	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+ACN+2H"	43.041102
"202797"	1391.60016	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2Na-H"	44.97116
"641263"	2064.91466	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2Na-H"	44.97116
"1145987"	718.28566	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2Na-H"	44.97116
"186723"	696.303718	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2Na"	45.978436
"627014"	1032.960968	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2Na"	45.978436
"1128937"	359.646468	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2Na"	45.978436
"1412464"	240.100070666667	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+2Na"	46.985712
"1441299"	720.327246	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+HCOOH"	47.012746
"229902"	701.33674	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+3H2O+2H"	56.04448
"1514685"	734.37929	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+IsoProp+H"	61.06479
"413275"	704.290688	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+Na+K"	61.952376
"773178"	1040.947938	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+Na+K"	61.952376
"1667688"	367.633438	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na+K"	61.952376
"255661"	1410.644768	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+ACN+Na"	64.015768
"1230925"	737.330268	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+ACN+Na"	64.015768
"1715804"	737.353793	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+NH4+HCOOH"	64.039293
"1179334"	247.427384666667	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+3Na"	68.967654
"1650690"	742.309188	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na+HCOOH"	68.994688
"167397"	1423.54804	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2K-H"	76.91904
"606956"	2096.86254	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2K-H"	76.91904
"1094760"	750.23354	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2K-H"	76.91904
"151574"	712.277658	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"2M+2K"	77.926316
"588947"	1048.934908	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"3M+2K"	77.926316
"1076741"	375.620408	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2K"	77.926316
"1107764"	752.248092	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2K+H"	78.933592
"1347428"	752.335707	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+DMSO+H"	79.021207
"1012677"	756.374876	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2ACN+H"	83.060376
"1530803"	757.368508	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+IsoProp+Na+H"	84.054008
"1000531"	378.691076	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+2ACN+2H"	84.067652
"1593939"	758.283128	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K+HCOOH"	84.968628
"1417412"	788.314638	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+H+CF3COOH"	115.000138
"1153167"	399.204351	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+3ACN+2H"	125.094202
"1698345"	805.341185	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+NH4+CF3COOH"	132.026685
"1644936"	810.29658	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+Na+CF3COOH"	136.98208
"1586053"	826.27052	"C14054"	"Dihydro-beta-ergocryptine mesylate"	"C32H43N5O5CH4SO3"	"673.3145"	"M+K+CF3COOH"	152.95602
"806580"	785.4562	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M"	0
"976832"	766.43781	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-H2O-H"	-19.01839
"72730"	522.630190666667	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M-3H"	-3.021828
"517758"	784.448924	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M-3H"	-3.021828
"882440"	260.811457333333	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-3H"	-3.021828
"11952"	784.448924	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M-2H"	-2.014552
"450419"	1177.177024	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M-2H"	-2.014552
"827128"	391.720824	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-2H"	-2.014552
"88215"	1569.905124	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M-H"	-1.007276
"525586"	2355.361324	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M-H"	-1.007276
"907762"	784.448924	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-H"	-1.007276
"57762"	1586.931671	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M-2H+NH4"	16.019271
"500242"	2372.387871	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M-2H+NH4"	16.019271
"876221"	801.475471	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-2H+NH4"	16.019271
"43025"	1591.887066	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M-2H+Na"	20.974666
"481494"	2377.343266	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M-2H+Na"	20.974666
"857110"	806.430866	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-2H+Na"	20.974666
"1633703"	806.430866	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Na-2H"	20.974666
"109012"	802.437263	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M-H+Cl"	33.962126
"546019"	1195.165363	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M-H+Cl"	33.962126
"931879"	409.709163	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-H+Cl"	33.962126
"281621"	1605.881802	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+Cl"	34.969402
"674163"	2391.338002	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+Cl"	34.969402
"1286566"	820.425602	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Cl"	34.969402
"30215"	1607.861006	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M-2H+K"	36.948606
"468316"	2393.317206	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M-2H+K"	36.948606
"840649"	822.404806	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-2H+K"	36.948606
"1569604"	822.404806	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+K-2H"	36.948606
"953117"	830.454394	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-H+HCOOH"	44.998194
"375346"	1615.910601	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+HCOOH-H"	44.998201
"355221"	1629.926251	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+Hac-H"	59.013851
"1499681"	844.470051	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Hac-H"	59.013851
"963213"	852.436351	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-H+NaCOOH"	66.980151
"114307"	820.425602	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+2Cl"	69.938804
"562251"	1213.153702	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+2Cl"	69.938804
"1031047"	427.697502	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2Cl"	69.938804
"1253905"	864.375085	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Br"	78.918885
"1311250"	866.431072	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Cl+HCOOH"	80.974872
"1329475"	888.413029	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Cl+NaCOOH"	102.956829
"921624"	898.441786	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M-H+CF3COOH"	112.985586
"1301611"	934.418464	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Cl+CF3COOH"	148.962264
"1379772"	750.443524	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H-2H2O"	-35.012676
"1386337"	768.4535	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H-H2O"	-17.0027
"285655"	1571.919676	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+H"	1.007276
"676982"	2357.375876	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+H"	1.007276
"1354062"	786.463476	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H"	1.007276
"134248"	786.463476	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+2H"	2.014552
"578919"	1179.191576	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+2H"	2.014552
"1049907"	393.735376	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2H"	2.014552
"218172"	524.644742666667	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+3H"	3.021828
"657001"	786.463476	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+3H"	3.021828
"1174759"	262.826009333333	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+3H"	3.021828
"435845"	1588.946223	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+NH4"	18.033823
"799026"	2374.402423	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+NH4"	18.033823
"1690983"	803.490023	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+NH4"	18.033823
"339261"	794.9767495	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+H+NH4"	19.041099
"731682"	1187.7048495	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+H+NH4"	19.041099
"1485501"	402.2486495	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H+NH4"	19.041099
"400905"	1593.901618	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+Na"	22.989218
"768586"	2379.357818	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+Na"	22.989218
"1615466"	808.445418	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Na"	22.989218
"326599"	797.454447	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+H+Na"	23.996494
"719021"	1190.182547	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+H+Na"	23.996494
"1473571"	404.726347	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H+Na"	23.996494
"1063901"	270.153323333333	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2H+Na"	25.00377
"1266672"	818.489686	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+CH3OH+H"	33.033486
"389258"	1609.875558	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+K"	38.963158
"751344"	2395.331758	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+K"	38.963158
"1551208"	824.419358	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+K"	38.963158
"303286"	805.441417	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+H+K"	39.970434
"704461"	1198.169517	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+H+K"	39.970434
"1451720"	412.713317	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H+K"	39.970434
"246883"	1612.946226	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+ACN+H"	42.033826
"1221778"	827.490026	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+ACN+H"	42.033826
"1209472"	414.248651	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+ACN+2H"	43.041102
"204166"	1615.88356	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+2Na-H"	44.97116
"642466"	2401.33976	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+2Na-H"	44.97116
"1144877"	830.42736	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2Na-H"	44.97116
"188306"	808.445418	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+2Na"	45.978436
"627366"	1201.173518	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+2Na"	45.978436
"1130143"	415.717318	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2Na"	45.978436
"1411480"	277.480637333333	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H+2Na"	46.985712
"1442502"	832.468946	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H+HCOOH"	47.012746
"230015"	813.47844	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+3H2O+2H"	56.04448
"1516984"	846.52099	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+IsoProp+H"	61.06479
"416670"	816.432388	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+Na+K"	61.952376
"775478"	1209.160488	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+Na+K"	61.952376
"1668891"	423.704288	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Na+K"	61.952376
"256865"	1634.928168	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+ACN+Na"	64.015768
"1234320"	849.471968	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+ACN+Na"	64.015768
"1725394"	849.495493	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+NH4+HCOOH"	64.039293
"1188562"	284.807951333333	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+3Na"	68.967654
"1662835"	854.450888	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Na+HCOOH"	68.994688
"172008"	1647.83144	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+2K-H"	76.91904
"600518"	2433.28764	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+2K-H"	76.91904
"1091590"	862.37524	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2K-H"	76.91904
"153873"	824.419358	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"2M+2K"	77.926316
"594407"	1217.147458	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"3M+2K"	77.926316
"1079041"	431.691258	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2K"	77.926316
"1115049"	864.389792	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2K+H"	78.933592
"1347540"	864.477407	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+DMSO+H"	79.021207
"1013885"	868.516576	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2ACN+H"	83.060376
"1530916"	869.510208	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+IsoProp+Na+H"	84.054008
"995175"	434.761926	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+2ACN+2H"	84.067652
"1590771"	870.424828	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+K+HCOOH"	84.968628
"1416794"	900.456338	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+H+CF3COOH"	115.000138
"1148541"	455.275201	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+3ACN+2H"	125.094202
"1703926"	917.482885	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+NH4+CF3COOH"	132.026685
"1649423"	922.43828	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+Na+CF3COOH"	136.98208
"1586164"	938.41222	"C14056"	"Leucomycin A1"	"C40H67NO14"	"785.4562"	"M+K+CF3COOH"	152.95602
"806690"	813.4511	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M"	0
"976942"	794.43271	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-H2O-H"	-19.01839
"75392"	541.293457333333	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M-3H"	-3.021828
"517140"	812.443824	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M-3H"	-3.021828
"882914"	270.143090666667	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-3H"	-3.021828
"4407"	812.443824	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M-2H"	-2.014552
"448340"	1219.169374	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M-2H"	-2.014552
"826144"	405.718274	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-2H"	-2.014552
"90509"	1625.894924	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M-H"	-1.007276
"527884"	2439.346024	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M-H"	-1.007276
"905683"	812.443824	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-H"	-1.007276
"62372"	1642.921471	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M-2H+NH4"	16.019271
"500714"	2456.372571	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M-2H+NH4"	16.019271
"871954"	829.470371	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-2H+NH4"	16.019271
"40949"	1647.876866	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M-2H+Na"	20.974666
"478322"	2461.327966	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M-2H+Na"	20.974666
"852114"	834.425766	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-2H+Na"	20.974666
"1633650"	834.425766	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Na-2H"	20.974666
"109486"	830.432163	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M-H+Cl"	33.962126
"547222"	1237.157713	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M-H+Cl"	33.962126
"933082"	423.706613	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-H+Cl"	33.962126
"281484"	1661.871602	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+Cl"	34.969402
"674152"	2475.322702	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+Cl"	34.969402
"1285950"	848.420502	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Cl"	34.969402
"30936"	1663.850806	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M-2H+K"	36.948606
"468426"	2477.301906	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M-2H+K"	36.948606
"840759"	850.399706	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-2H+K"	36.948606
"1568622"	850.399706	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+K-2H"	36.948606
"953956"	858.449294	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-H+HCOOH"	44.998194
"375093"	1671.900401	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+HCOOH-H"	44.998201
"355331"	1685.916051	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+Hac-H"	59.013851
"1503071"	872.464951	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Hac-H"	59.013851
"963687"	880.431251	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-H+NaCOOH"	66.980151
"118426"	848.420502	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+2Cl"	69.938804
"563452"	1255.146052	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+2Cl"	69.938804
"1032250"	441.694952	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2Cl"	69.938804
"1251828"	892.369985	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Br"	78.918885
"1312089"	894.425972	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Cl+HCOOH"	80.974872
"1329585"	916.407929	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Cl+NaCOOH"	102.956829
"920641"	926.436686	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M-H+CF3COOH"	112.985586
"1298441"	962.413364	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Cl+CF3COOH"	148.962264
"1376602"	778.438424	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H-2H2O"	-35.012676
"1384988"	796.4484	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H-H2O"	-17.0027
"284309"	1627.909476	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+H"	1.007276
"677822"	2441.360576	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+H"	1.007276
"1353080"	814.458376	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H"	1.007276
"134358"	814.458376	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+2H"	2.014552
"578662"	1221.183926	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+2H"	2.014552
"1050380"	407.732826	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2H"	2.014552
"219823"	543.308009333333	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+3H"	3.021828
"658205"	814.458376	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+3H"	3.021828
"1175234"	272.157642666667	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+3H"	3.021828
"435955"	1644.936023	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+NH4"	18.033823
"798773"	2458.387123	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+NH4"	18.033823
"1691093"	831.484923	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+NH4"	18.033823
"339371"	822.9716495	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+H+NH4"	19.041099
"732885"	1229.6971995	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+H+NH4"	19.041099
"1485611"	416.2460995	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H+NH4"	19.041099
"401015"	1649.891418	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+Na"	22.989218
"767844"	2463.342518	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+Na"	22.989218
"1615212"	836.440318	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Na"	22.989218
"327804"	825.449347	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+H+Na"	23.996494
"718038"	1232.174897	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+H+Na"	23.996494
"1472952"	418.723797	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H+Na"	23.996494
"1064740"	279.484956666667	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2H+Na"	25.00377
"1266782"	846.484586	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+CH3OH+H"	33.033486
"388638"	1665.865358	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+K"	38.963158
"751090"	2479.316458	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+K"	38.963158
"1553143"	852.414258	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+K"	38.963158
"303391"	833.436317	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+H+K"	39.970434
"705664"	1240.161867	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+H+K"	39.970434
"1450737"	426.710767	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H+K"	39.970434
"248086"	1668.936026	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+ACN+H"	42.033826
"1222981"	855.484926	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+ACN+H"	42.033826
"1205773"	428.246101	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+ACN+2H"	43.041102
"201803"	1671.87336	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+2Na-H"	44.97116
"640389"	2485.32446	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+2Na-H"	44.97116
"1144987"	858.42226	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2Na-H"	44.97116
"188268"	836.440318	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+2Na"	45.978436
"624560"	1243.165868	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+2Na"	45.978436
"1129159"	429.714768	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2Na"	45.978436
"1409403"	286.812270666667	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H+2Na"	46.985712
"1439332"	860.463846	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H+HCOOH"	47.012746
"230125"	841.47334	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+3H2O+2H"	56.04448
"1518187"	874.51589	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+IsoProp+H"	61.06479
"415687"	844.427288	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+Na+K"	61.952376
"773401"	1251.152838	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+Na+K"	61.952376
"1669730"	437.701738	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Na+K"	61.952376
"255153"	1690.917968	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+ACN+Na"	64.015768
"1235524"	877.466868	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+ACN+Na"	64.015768
"1715663"	877.490393	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+NH4+HCOOH"	64.039293
"1188672"	294.139584666667	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+3Na"	68.967654
"1662945"	882.445788	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Na+HCOOH"	68.994688
"169804"	1703.82124	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+2K-H"	76.91904
"603907"	2517.27234	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+2K-H"	76.91904
"1090606"	890.37014	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2K-H"	76.91904
"155076"	852.414258	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"2M+2K"	77.926316
"594516"	1259.139808	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"3M+2K"	77.926316
"1079151"	445.688708	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2K"	77.926316
"1115035"	892.384692	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2K+H"	78.933592
"1342182"	892.472307	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+DMSO+H"	79.021207
"1015088"	896.511476	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2ACN+H"	83.060376
"1534306"	897.505108	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+IsoProp+Na+H"	84.054008
"995285"	448.759376	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+2ACN+2H"	84.067652
"1590152"	898.419728	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+K+HCOOH"	84.968628
"1416175"	928.451238	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+H+CF3COOH"	115.000138
"1149015"	469.272651	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+3ACN+2H"	125.094202
"1704036"	945.477785	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+NH4+CF3COOH"	132.026685
"1649534"	950.43318	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+Na+CF3COOH"	136.98208
"1586274"	966.40712	"C14057"	"Leucomycin A4"	"C41H67NO15"	"813.4511"	"M+K+CF3COOH"	152.95602
"806800"	771.4405	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M"	0
"977052"	752.42211	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-H2O-H"	-19.01839
"75137"	513.286390666667	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M-3H"	-3.021828
"516157"	770.433224	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M-3H"	-3.021828
"882660"	256.139557333333	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-3H"	-3.021828
"4517"	770.433224	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M-2H"	-2.014552
"448450"	1156.153474	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M-2H"	-2.014552
"826254"	384.712974	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-2H"	-2.014552
"88432"	1541.873724	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M-H"	-1.007276
"525807"	2313.314224	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M-H"	-1.007276
"903606"	770.433224	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-H"	-1.007276
"57984"	1558.900271	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M-2H+NH4"	16.019271
"498636"	2330.340771	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M-2H+NH4"	16.019271
"868784"	787.459771	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-2H+NH4"	16.019271
"38872"	1563.855666	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M-2H+Na"	20.974666
"475150"	2335.296166	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M-2H+Na"	20.974666
"855142"	792.415166	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-2H+Na"	20.974666
"1632831"	792.415166	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Na-2H"	20.974666
"109682"	788.421563	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M-H+Cl"	33.962126
"545144"	1174.141813	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M-H+Cl"	33.962126
"933192"	402.701313	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-H+Cl"	33.962126
"281959"	1577.850402	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+Cl"	34.969402
"674015"	2349.290902	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+Cl"	34.969402
"1284233"	806.409902	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Cl"	34.969402
"27883"	1579.829606	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M-2H+K"	36.948606
"467442"	2351.270106	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M-2H+K"	36.948606
"837588"	808.389106	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-2H+K"	36.948606
"1562170"	808.389106	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+K-2H"	36.948606
"954066"	816.438694	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-H+HCOOH"	44.998194
"375567"	1587.879201	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+HCOOH-H"	44.998201
"355441"	1601.894851	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+Hac-H"	59.013851
"1502088"	830.454351	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Hac-H"	59.013851
"963433"	838.420651	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-H+NaCOOH"	66.980151
"118536"	806.409902	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+2Cl"	69.938804
"561376"	1192.130152	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+2Cl"	69.938804
"1030174"	420.689652	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2Cl"	69.938804
"1250845"	850.359385	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Br"	78.918885
"1309283"	852.415372	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Cl+HCOOH"	80.974872
"1330789"	874.397329	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Cl+NaCOOH"	102.956829
"923669"	884.426086	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M-H+CF3COOH"	112.985586
"1300376"	920.402764	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Cl+CF3COOH"	148.962264
"1375619"	736.427824	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H-2H2O"	-35.012676
"1390930"	754.4378	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H-H2O"	-17.0027
"284055"	1543.888276	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+H"	1.007276
"676839"	2315.328776	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+H"	1.007276
"1354647"	772.447776	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H"	1.007276
"133374"	772.447776	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+2H"	2.014552
"578772"	1158.168026	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+2H"	2.014552
"1051218"	386.727526	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2H"	2.014552
"219121"	515.300942666667	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+3H"	3.021828
"651389"	772.447776	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+3H"	3.021828
"1175347"	258.154109333333	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+3H"	3.021828
"433880"	1560.914823	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+NH4"	18.033823
"796697"	2332.355323	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+NH4"	18.033823
"1691204"	789.474323	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+NH4"	18.033823
"340577"	780.9610495	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+H+NH4"	19.041099
"732995"	1166.6812995	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+H+NH4"	19.041099
"1483534"	395.2407995	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H+NH4"	19.041099
"398938"	1565.870218	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+Na"	22.989218
"763214"	2337.310718	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+Na"	22.989218
"1611313"	794.429718	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Na"	22.989218
"329377"	783.438747	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+H+Na"	23.996494
"721071"	1169.158997	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+H+Na"	23.996494
"1476106"	397.718497	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H+Na"	23.996494
"1065944"	265.481423333333	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2H+Na"	25.00377
"1268715"	804.473986	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+CH3OH+H"	33.033486
"388748"	1581.844158	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+K"	38.963158
"751930"	2353.284658	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+K"	38.963158
"1554592"	810.403658	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+K"	38.963158
"303500"	791.425717	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+H+K"	39.970434
"698117"	1177.145967	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+H+K"	39.970434
"1451939"	405.705467	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H+K"	39.970434
"242728"	1584.914826	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+ACN+H"	42.033826
"1219811"	813.474326	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+ACN+H"	42.033826
"1205882"	407.240801	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+ACN+2H"	43.041102
"199844"	1587.85216	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+2Na-H"	44.97116
"639406"	2359.29266	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+2Na-H"	44.97116
"1144734"	816.41166	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2Na-H"	44.97116
"186205"	794.429718	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+2Na"	45.978436
"623942"	1180.149968	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+2Na"	45.978436
"1123801"	408.709468	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2Na"	45.978436
"1408057"	272.808737333333	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H+2Na"	46.985712
"1437622"	818.453246	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H+HCOOH"	47.012746
"228778"	799.46274	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+3H2O+2H"	56.04448
"1514653"	832.50529	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+IsoProp+H"	61.06479
"415797"	802.416688	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+Na+K"	61.952376
"774604"	1188.136938	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+Na+K"	61.952376
"1669839"	416.696438	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Na+K"	61.952376
"257451"	1606.896768	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+ACN+Na"	64.015768
"1234540"	835.456268	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+ACN+Na"	64.015768
"1715773"	835.479793	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+NH4+HCOOH"	64.039293
"1183315"	280.136051333333	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+3Na"	68.967654
"1665449"	840.435188	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Na+HCOOH"	68.994688
"169914"	1619.80004	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+2K-H"	76.91904
"602924"	2391.24054	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+2K-H"	76.91904
"1089623"	848.35954	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2K-H"	76.91904
"155186"	810.403658	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"2M+2K"	77.926316
"594383"	1196.123908	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"3M+2K"	77.926316
"1079261"	424.683408	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2K"	77.926316
"1114902"	850.374092	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2K+H"	78.933592
"1343385"	850.461707	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+DMSO+H"	79.021207
"1013011"	854.500876	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2ACN+H"	83.060376
"1528949"	855.494508	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+IsoProp+Na+H"	84.054008
"996488"	427.754076	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+2ACN+2H"	84.067652
"1594269"	856.409128	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+K+HCOOH"	84.968628
"1415918"	886.440638	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+H+CF3COOH"	115.000138
"1148761"	448.267351	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+3ACN+2H"	125.094202
"1697706"	903.467185	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+NH4+CF3COOH"	132.026685
"1649644"	908.42258	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+Na+CF3COOH"	136.98208
"1586384"	924.39652	"C14058"	"Leucomycin A5"	"C39H65NO14"	"771.4405"	"M+K+CF3COOH"	152.95602
"815299"	799.4354	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M"	0
"984453"	780.41701	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-H2O-H"	-19.01839
"76344"	531.949657333333	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M-3H"	-3.021828
"516633"	798.428124	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M-3H"	-3.021828
"883865"	265.471190666667	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-3H"	-3.021828
"1711"	798.428124	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M-2H"	-2.014552
"450750"	1198.145824	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M-2H"	-2.014552
"824177"	398.710424	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-2H"	-2.014552
"88543"	1597.863524	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M-H"	-1.007276
"525915"	2397.298924	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M-H"	-1.007276
"905905"	798.428124	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-H"	-1.007276
"60039"	1614.890071	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M-2H+NH4"	16.019271
"496560"	2414.325471	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M-2H+NH4"	16.019271
"875456"	815.454671	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-2H+NH4"	16.019271
"36796"	1619.845466	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M-2H+Na"	20.974666
"474170"	2419.280866	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M-2H+Na"	20.974666
"855252"	820.410066	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-2H+Na"	20.974666
"1632086"	820.410066	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Na-2H"	20.974666
"108979"	816.416463	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M-H+Cl"	33.962126
"548780"	1216.134163	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M-H+Cl"	33.962126
"939500"	416.698763	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-H+Cl"	33.962126
"277331"	1633.840202	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+Cl"	34.969402
"668659"	2433.275602	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+Cl"	34.969402
"1281061"	834.404802	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Cl"	34.969402
"27993"	1635.819406	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M-2H+K"	36.948606
"467552"	2435.254806	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M-2H+K"	36.948606
"839886"	836.384006	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-2H+K"	36.948606
"1562280"	836.384006	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+K-2H"	36.948606
"947976"	844.433594	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-H+HCOOH"	44.998194
"373853"	1643.869001	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+HCOOH-H"	44.998201
"354457"	1657.884651	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+Hac-H"	59.013851
"1497459"	858.449251	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Hac-H"	59.013851
"959895"	866.415551	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-H+NaCOOH"	66.980151
"114271"	834.404802	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+2Cl"	69.938804
"556747"	1234.122502	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+2Cl"	69.938804
"1027733"	434.687102	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2Cl"	69.938804
"1248404"	878.354285	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Br"	78.918885
"1312309"	880.410272	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Cl+HCOOH"	80.974872
"1325432"	902.392229	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Cl+NaCOOH"	102.956829
"922323"	912.420986	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M-H+CF3COOH"	112.985586
"1299395"	948.397664	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Cl+CF3COOH"	148.962264
"1372453"	764.422724	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H-2H2O"	-35.012676
"1388856"	782.4327	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H-H2O"	-17.0027
"290729"	1599.878076	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+H"	1.007276
"680964"	2399.313476	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+H"	1.007276
"1354029"	800.442676	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H"	1.007276
"134577"	800.442676	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+2H"	2.014552
"578155"	1200.160376	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+2H"	2.014552
"1052424"	400.724976	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2H"	2.014552
"218138"	533.964209333333	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+3H"	3.021828
"656605"	800.442676	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+3H"	3.021828
"1173635"	267.485742666667	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+3H"	3.021828
"435085"	1616.904623	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+NH4"	18.033823
"800455"	2416.340023	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+NH4"	18.033823
"1694962"	817.469223	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+NH4"	18.033823
"341781"	808.9559495	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+H+NH4"	19.041099
"735663"	1208.6736495	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+H+NH4"	19.041099
"1490579"	409.2382495	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H+NH4"	19.041099
"408090"	1621.860018	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+Na"	22.989218
"765512"	2421.295418	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+Na"	22.989218
"1612517"	822.424618	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Na"	22.989218
"329485"	811.433647	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+H+Na"	23.996494
"722395"	1211.151347	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+H+Na"	23.996494
"1475973"	411.715947	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H+Na"	23.996494
"1067031"	274.813056666667	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2H+Na"	25.00377
"1271014"	832.468886	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+CH3OH+H"	33.033486
"392021"	1637.833958	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+K"	38.963158
"752405"	2437.269358	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+K"	38.963158
"1554708"	838.398558	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+K"	38.963158
"303613"	819.420617	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+H+K"	39.970434
"699321"	1219.138317	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+H+K"	39.970434
"1454237"	419.702917	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H+K"	39.970434
"247212"	1640.904626	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+ACN+H"	42.033826
"1221013"	841.469226	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+ACN+H"	42.033826
"1208180"	421.238251	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+ACN+2H"	43.041102
"202753"	1643.84196	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+2Na-H"	44.97116
"643042"	2443.27736	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+2Na-H"	44.97116
"1145578"	844.40656	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2Na-H"	44.97116
"185954"	822.424618	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+2Na"	45.978436
"624786"	1222.142318	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+2Na"	45.978436
"1127925"	422.706918	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2Na"	45.978436
"1409264"	282.140370666667	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H+2Na"	46.985712
"1442108"	846.448146	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H+HCOOH"	47.012746
"232898"	827.45764	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+3H2O+2H"	56.04448
"1520960"	860.50019	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+IsoProp+H"	61.06479
"417366"	830.411588	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+Na+K"	61.952376
"774715"	1230.129288	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+Na+K"	61.952376
"1669952"	430.693888	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Na+K"	61.952376
"256471"	1662.886568	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+ACN+Na"	64.015768
"1233193"	863.451168	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+ACN+Na"	64.015768
"1715513"	863.474693	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+NH4+HCOOH"	64.039293
"1184517"	289.467684666667	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+3Na"	68.967654
"1664991"	868.430088	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Na+HCOOH"	68.994688
"171118"	1675.78984	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+2K-H"	76.91904
"605221"	2475.22524	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+2K-H"	76.91904
"1097386"	876.35444	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2K-H"	76.91904
"155176"	838.398558	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"2M+2K"	77.926316
"594856"	1238.116258	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"3M+2K"	77.926316
"1081558"	438.680858	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2K"	77.926316
"1113553"	878.368992	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2K+H"	78.933592
"1347871"	878.456607	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+DMSO+H"	79.021207
"1015309"	882.495776	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2ACN+H"	83.060376
"1531247"	883.489408	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+IsoProp+Na+H"	84.054008
"994413"	441.751526	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+2ACN+2H"	84.067652
"1595475"	884.404028	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+K+HCOOH"	84.968628
"1415666"	914.435538	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+H+CF3COOH"	115.000138
"1156891"	462.264801	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+3ACN+2H"	125.094202
"1707536"	931.462085	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+NH4+CF3COOH"	132.026685
"1648657"	936.41748	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+Na+CF3COOH"	136.98208
"1586494"	952.39142	"C14059"	"Leucomycin A6"	"C40H65NO15"	"799.4354"	"M+K+CF3COOH"	152.95602
"814674"	757.4249	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M"	0
"983832"	738.40651	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-H2O-H"	-19.01839
"73175"	503.942657333333	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M-3H"	-3.021828
"516017"	756.417624	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M-3H"	-3.021828
"882882"	251.467690666667	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-3H"	-3.021828
"3643"	756.417624	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M-2H"	-2.014552
"450860"	1135.130074	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M-2H"	-2.014552
"825381"	377.705174	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-2H"	-2.014552
"88653"	1513.842524	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M-H"	-1.007276
"526025"	2271.267424	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M-H"	-1.007276
"908202"	756.417624	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-H"	-1.007276
"59907"	1530.869071	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M-2H+NH4"	16.019271
"498857"	2288.293971	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M-2H+NH4"	16.019271
"873379"	773.444171	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-2H+NH4"	16.019271
"36906"	1535.824466	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M-2H+Na"	20.974666
"476466"	2293.249366	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M-2H+Na"	20.974666
"854269"	778.399566	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-2H+Na"	20.974666
"1626000"	778.399566	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Na-2H"	20.974666
"107631"	774.405963	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M-H+Cl"	33.962126
"546460"	1153.118413	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M-H+Cl"	33.962126
"936695"	395.693513	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-H+Cl"	33.962126
"270879"	1549.819202	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+Cl"	34.969402
"661113"	2307.244102	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+Cl"	34.969402
"1276798"	792.394302	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Cl"	34.969402
"25916"	1551.798406	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M-2H+K"	36.948606
"465476"	2309.223306	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M-2H+K"	36.948606
"838903"	794.373506	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-2H+K"	36.948606
"1563484"	794.373506	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+K-2H"	36.948606
"950274"	802.423094	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-H+HCOOH"	44.998194
"372143"	1559.848001	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+HCOOH-H"	44.998201
"355661"	1573.863651	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+Hac-H"	59.013851
"1496839"	816.438751	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Hac-H"	59.013851
"958867"	824.405051	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-H+NaCOOH"	66.980151
"114381"	792.394302	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+2Cl"	69.938804
"553211"	1171.106752	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+2Cl"	69.938804
"1028207"	413.681852	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2Cl"	69.938804
"1245598"	836.343785	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Br"	78.918885
"1309505"	838.399772	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Cl+HCOOH"	80.974872
"1324085"	860.381729	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Cl+NaCOOH"	102.956829
"919884"	870.410486	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M-H+CF3COOH"	112.985586
"1295496"	906.387164	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Cl+CF3COOH"	148.962264
"1372563"	722.412224	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H-2H2O"	-35.012676
"1388966"	740.4222	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H-H2O"	-17.0027
"290839"	1515.857076	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+H"	1.007276
"681074"	2273.281976	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+H"	1.007276
"1355597"	758.432176	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H"	1.007276
"131406"	758.432176	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+2H"	2.014552
"580817"	1137.144626	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+2H"	2.014552
"1052616"	379.719726	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2H"	2.014552
"218613"	505.957209333333	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+3H"	3.021828
"653799"	758.432176	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+3H"	3.021828
"1174475"	253.482242666667	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+3H"	3.021828
"435196"	1532.883623	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+NH4"	18.033823
"799472"	2290.308523	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+NH4"	18.033823
"1694707"	775.458723	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+NH4"	18.033823
"344079"	766.9454495	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+H+NH4"	19.041099
"735407"	1145.6578995	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+H+NH4"	19.041099
"1488135"	388.2329995	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H+NH4"	19.041099
"405358"	1537.839018	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+Na"	22.989218
"766717"	2295.263918	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+Na"	22.989218
"1613722"	780.414118	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Na"	22.989218
"326682"	769.423147	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+H+Na"	23.996494
"721776"	1148.135597	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+H+Na"	23.996494
"1476122"	390.710697	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H+Na"	23.996494
"1065069"	260.809556666667	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2H+Na"	25.00377
"1271122"	790.458386	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+CH3OH+H"	33.033486
"392126"	1553.812958	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+K"	38.963158
"753895"	2311.237858	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+K"	38.963158
"1554811"	796.388058	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+K"	38.963158
"303722"	777.410117	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+H+K"	39.970434
"696515"	1156.122567	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+H+K"	39.970434
"1459450"	398.697667	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H+K"	39.970434
"250363"	1556.883626	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+ACN+H"	42.033826
"1224528"	799.458726	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+ACN+H"	42.033826
"1208535"	400.233001	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+ACN+2H"	43.041102
"203840"	1559.82096	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+2Na-H"	44.97116
"643518"	2317.24586	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+2Na-H"	44.97116
"1146416"	802.39606	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2Na-H"	44.97116
"186795"	780.414118	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+2Na"	45.978436
"627080"	1159.126568	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+2Na"	45.978436
"1129496"	401.701668	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2Na"	45.978436
"1412898"	268.136870666667	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H+2Na"	46.985712
"1443679"	804.437646	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H+HCOOH"	47.012746
"231912"	785.44714	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+3H2O+2H"	56.04448
"1521070"	818.48969	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+IsoProp+H"	61.06479
"420393"	788.401088	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+Na+K"	61.952376
"778836"	1167.113538	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+Na+K"	61.952376
"1673343"	409.688638	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Na+K"	61.952376
"262413"	1578.865568	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+ACN+Na"	64.015768
"1229293"	821.440668	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+ACN+Na"	64.015768
"1719268"	821.464193	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+NH4+HCOOH"	64.039293
"1184625"	275.464184666667	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+3Na"	68.967654
"1656708"	826.419588	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Na+HCOOH"	68.994688
"161382"	1591.76884	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+2K-H"	76.91904
"605331"	2349.19374	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+2K-H"	76.91904
"1095310"	834.34394	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2K-H"	76.91904
"154922"	796.388058	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"2M+2K"	77.926316
"591686"	1175.100508	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"3M+2K"	77.926316
"1082519"	417.675608	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2K"	77.926316
"1110504"	836.358492	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2K+H"	78.933592
"1343606"	836.446107	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+DMSO+H"	79.021207
"1013233"	840.485276	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2ACN+H"	83.060376
"1533544"	841.478908	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+IsoProp+Na+H"	84.054008
"997804"	420.746276	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+2ACN+2H"	84.067652
"1589390"	842.393528	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+K+HCOOH"	84.968628
"1417964"	872.425038	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+H+CF3COOH"	115.000138
"1157001"	441.259551	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+3ACN+2H"	125.094202
"1707646"	889.451585	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+NH4+CF3COOH"	132.026685
"1649134"	894.40698	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+Na+CF3COOH"	136.98208
"1586604"	910.38092	"C14060"	"Leucomycin A7"	"C38H63NO14"	"757.4249"	"M+K+CF3COOH"	152.95602
"814785"	785.4198	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M"	0
"982855"	766.40141	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-H2O-H"	-19.01839
"72190"	522.605924	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M-3H"	-3.021828
"505189"	784.412524	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M-3H"	-3.021828
"883721"	260.799324	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-3H"	-3.021828
"2660"	784.412524	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M-2H"	-2.014552
"450972"	1177.122424	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M-2H"	-2.014552
"829866"	391.702624	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-2H"	-2.014552
"90951"	1569.832324	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M-H"	-1.007276
"529418"	2355.252124	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M-H"	-1.007276
"903939"	784.412524	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-H"	-1.007276
"59409"	1586.858871	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M-2H+NH4"	16.019271
"496783"	2372.278671	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M-2H+NH4"	16.019271
"872398"	801.439071	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-2H+NH4"	16.019271
"35557"	1591.814266	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M-2H+Na"	20.974666
"477672"	2377.234066	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M-2H+Na"	20.974666
"856572"	806.394466	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-2H+Na"	20.974666
"1626110"	806.394466	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Na-2H"	20.974666
"105918"	802.400863	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M-H+Cl"	33.962126
"546209"	1195.110763	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M-H+Cl"	33.962126
"930246"	409.690963	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-H+Cl"	33.962126
"270988"	1605.809002	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+Cl"	34.969402
"664505"	2391.228802	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+Cl"	34.969402
"1281283"	820.389202	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Cl"	34.969402
"26027"	1607.788206	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M-2H+K"	36.948606
"467775"	2393.208006	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M-2H+K"	36.948606
"843390"	822.368406	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-2H+K"	36.948606
"1566878"	822.368406	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+K-2H"	36.948606
"952580"	830.417994	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-H+HCOOH"	44.998194
"368611"	1615.837801	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+HCOOH-H"	44.998201
"352125"	1629.853451	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+Hac-H"	59.013851
"1498406"	844.433651	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Hac-H"	59.013851
"960114"	852.399951	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-H+NaCOOH"	66.980151
"115948"	820.389202	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+2Cl"	69.938804
"555873"	1213.099102	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+2Cl"	69.938804
"1026130"	427.679302	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2Cl"	69.938804
"1243886"	864.338685	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Br"	78.918885
"1308157"	866.394672	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Cl+HCOOH"	80.974872
"1326746"	888.376629	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Cl+NaCOOH"	102.956829
"917805"	898.405386	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M-H+CF3COOH"	112.985586
"1291596"	934.382064	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Cl+CF3COOH"	148.962264
"1369393"	750.407124	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H-2H2O"	-35.012676
"1391994"	768.4171	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H-H2O"	-17.0027
"287670"	1571.846876	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+H"	1.007276
"684465"	2357.266676	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+H"	1.007276
"1360816"	786.427076	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H"	1.007276
"140272"	786.427076	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+2H"	2.014552
"576188"	1179.136976	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+2H"	2.014552
"1052279"	393.717176	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2H"	2.014552
"216171"	524.620476	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+3H"	3.021828
"653907"	786.427076	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+3H"	3.021828
"1170940"	262.813876	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+3H"	3.021828
"433118"	1588.873423	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+NH4"	18.033823
"795206"	2374.293223	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+NH4"	18.033823
"1691536"	803.453623	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+NH4"	18.033823
"339815"	794.9403495	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+H+NH4"	19.041099
"735884"	1187.6502495	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+H+NH4"	19.041099
"1492219"	402.2304495	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H+NH4"	19.041099
"404740"	1593.828818	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+Na"	22.989218
"766828"	2379.248618	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+Na"	22.989218
"1616750"	808.409018	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Na"	22.989218
"326063"	797.418047	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+H+Na"	23.996494
"720669"	1190.127947	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+H+Na"	23.996494
"1472301"	404.708147	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H+Na"	23.996494
"1062267"	270.14119	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2H+Na"	25.00377
"1268318"	818.453286	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+CH3OH+H"	33.033486
"387985"	1609.802758	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+K"	38.963158
"747887"	2395.222558	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+K"	38.963158
"1545927"	824.382958	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+K"	38.963158
"307121"	805.405017	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+H+K"	39.970434
"706352"	1198.114917	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+H+K"	39.970434
"1460944"	412.695117	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H+K"	39.970434
"251126"	1612.873426	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+ACN+H"	42.033826
"1224157"	827.453626	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+ACN+H"	42.033826
"1207308"	414.230451	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+ACN+2H"	43.041102
"201271"	1615.81076	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+2Na-H"	44.97116
"641563"	2401.23056	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+2Na-H"	44.97116
"1146450"	830.39096	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2Na-H"	44.97116
"186170"	808.409018	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+2Na"	45.978436
"626463"	1201.118918	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+2Na"	45.978436
"1128878"	415.699118	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2Na"	45.978436
"1411306"	277.468504	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H+2Na"	46.985712
"1441601"	832.432546	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H+HCOOH"	47.012746
"230931"	813.44204	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+3H2O+2H"	56.04448
"1520087"	846.48459	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+IsoProp+H"	61.06479
"418315"	816.395988	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+Na+K"	61.952376
"778216"	1209.105888	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+Na+K"	61.952376
"1672357"	423.686088	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Na+K"	61.952376
"259976"	1634.855368	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+ACN+Na"	64.015768
"1228674"	849.435568	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+ACN+Na"	64.015768
"1715009"	849.459093	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+NH4+HCOOH"	64.039293
"1193127"	284.795818	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+3Na"	68.967654
"1660102"	854.414488	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Na+HCOOH"	68.994688
"169163"	1647.75864	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+2K-H"	76.91904
"609819"	2433.17844	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+2K-H"	76.91904
"1098338"	862.33884	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2K-H"	76.91904
"156005"	824.382958	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"2M+2K"	77.926316
"594717"	1217.092858	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"3M+2K"	77.926316
"1081658"	431.673058	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2K"	77.926316
"1108427"	864.353392	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2K+H"	78.933592
"1349187"	864.441007	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+DMSO+H"	79.021207
"1015529"	868.480176	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2ACN+H"	83.060376
"1532561"	869.473808	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+IsoProp+Na+H"	84.054008
"997914"	434.743726	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+2ACN+2H"	84.067652
"1590593"	870.388428	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+K+HCOOH"	84.968628
"1423545"	900.419938	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+H+CF3COOH"	115.000138
"1156021"	455.257001	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+3ACN+2H"	125.094202
"1709945"	917.446485	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+NH4+CF3COOH"	132.026685
"1642314"	922.40188	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+Na+CF3COOH"	136.98208
"1586714"	938.37582	"C14061"	"Leucomycin A8"	"C39H63NO15"	"785.4198"	"M+K+CF3COOH"	152.95602
"807240"	743.4092	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M"	0
"989037"	724.39081	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-H2O-H"	-19.01839
"73392"	494.598857333333	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M-3H"	-3.021828
"504206"	742.401924	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M-3H"	-3.021828
"883103"	246.795790666667	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-3H"	-3.021828
"2770"	742.401924	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M-2H"	-2.014552
"448896"	1114.106524	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M-2H"	-2.014552
"828883"	370.697324	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-2H"	-2.014552
"89970"	1485.811124	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M-H"	-1.007276
"528435"	2229.220324	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M-H"	-1.007276
"902956"	742.401924	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-H"	-1.007276
"59518"	1502.837671	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M-2H+NH4"	16.019271
"497986"	2246.246871	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M-2H+NH4"	16.019271
"873601"	759.428471	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-2H+NH4"	16.019271
"34940"	1507.793066	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M-2H+Na"	20.974666
"473409"	2251.202266	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M-2H+Na"	20.974666
"856682"	764.383866	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-2H+Na"	20.974666
"1626220"	764.383866	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Na-2H"	20.974666
"106028"	760.390263	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M-H+Cl"	33.962126
"545589"	1132.094863	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M-H+Cl"	33.962126
"928775"	388.685663	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-H+Cl"	33.962126
"268060"	1521.787802	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+Cl"	34.969402
"664615"	2265.197002	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+Cl"	34.969402
"1278112"	778.378602	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Cl"	34.969402
"27230"	1523.767006	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M-2H+K"	36.948606
"464603"	2267.176206	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M-2H+K"	36.948606
"843500"	780.357806	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-2H+K"	36.948606
"1565894"	780.357806	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+K-2H"	36.948606
"952690"	788.407394	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-H+HCOOH"	44.998194
"368721"	1531.816601	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+HCOOH-H"	44.998201
"351870"	1545.832251	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+Hac-H"	59.013851
"1497421"	802.423051	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Hac-H"	59.013851
"959858"	810.389351	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-H+NaCOOH"	66.980151
"113506"	778.378602	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+2Cl"	69.938804
"555617"	1150.083202	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+2Cl"	69.938804
"1026240"	406.674002	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2Cl"	69.938804
"1243996"	822.328085	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Br"	78.918885
"1306443"	824.384072	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Cl+HCOOH"	80.974872
"1329044"	846.366029	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Cl+NaCOOH"	102.956829
"919008"	856.394786	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M-H+CF3COOH"	112.985586
"1292800"	892.371464	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Cl+CF3COOH"	148.962264
"1370596"	708.396524	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H-2H2O"	-35.012676
"1391375"	726.4065	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H-H2O"	-17.0027
"289967"	1487.825676	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+H"	1.007276
"682389"	2231.234876	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+H"	1.007276
"1356551"	744.416476	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H"	1.007276
"137102"	744.416476	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+2H"	2.014552
"574475"	1116.121076	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+2H"	2.014552
"1048743"	372.711876	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2H"	2.014552
"208989"	496.613409333333	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+3H"	3.021828
"656203"	744.416476	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+3H"	3.021828
"1168861"	248.810342666667	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+3H"	3.021828
"432134"	1504.852223	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+NH4"	18.033823
"796409"	2248.261423	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+NH4"	18.033823
"1693468"	761.443023	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+NH4"	18.033823
"341017"	752.9297495	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+H+NH4"	19.041099
"734535"	1124.6343495	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+H+NH4"	19.041099
"1485077"	381.2251495	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H+NH4"	19.041099
"407037"	1509.807618	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+Na"	22.989218
"765844"	2253.216818	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+Na"	22.989218
"1616130"	766.398418	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Na"	22.989218
"328359"	755.407447	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+H+Na"	23.996494
"722237"	1127.112047	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+H+Na"	23.996494
"1474598"	383.702847	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H+Na"	23.996494
"1065658"	256.137656666667	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2H+Na"	25.00377
"1268428"	776.442686	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+CH3OH+H"	33.033486
"388096"	1525.781558	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+K"	38.963158
"750187"	2269.190758	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+K"	38.963158
"1545675"	782.372358	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+K"	38.963158
"303951"	763.394417	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+H+K"	39.970434
"704759"	1135.099017	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+H+K"	39.970434
"1460403"	391.689817	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H+K"	39.970434
"250463"	1528.852226	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+ACN+H"	42.033826
"1223536"	785.443026	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+ACN+H"	42.033826
"1205232"	393.225151	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+ACN+2H"	43.041102
"201748"	1531.78956	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+2Na-H"	44.97116
"642038"	2275.19876	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+2Na-H"	44.97116
"1145544"	788.38036	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2Na-H"	44.97116
"185917"	766.398418	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+2Na"	45.978436
"624022"	1138.103018	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+2Na"	45.978436
"1129717"	394.693818	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2Na"	45.978436
"1412511"	263.464970666667	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H+2Na"	46.985712
"1442806"	790.421946	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H+HCOOH"	47.012746
"233228"	771.43144	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+3H2O+2H"	56.04448
"1520197"	804.47399	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+IsoProp+H"	61.06479
"419884"	774.385388	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+Na+K"	61.952376
"780879"	1146.089988	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+Na+K"	61.952376
"1671374"	402.680788	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Na+K"	61.952376
"258993"	1550.834168	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+ACN+Na"	64.015768
"1228784"	807.424968	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+ACN+Na"	64.015768
"1715482"	807.448493	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+NH4+HCOOH"	64.039293
"1193601"	270.792284666667	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+3Na"	68.967654
"1660212"	812.403888	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Na+HCOOH"	68.994688
"169273"	1563.73744	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+2K-H"	76.91904
"609926"	2307.14664	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+2K-H"	76.91904
"1098448"	820.32824	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2K-H"	76.91904
"156845"	782.372358	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"2M+2K"	77.926316
"594099"	1154.076958	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"3M+2K"	77.926316
"1080795"	410.667758	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2K"	77.926316
"1109631"	822.342792	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2K+H"	78.933592
"1348203"	822.430407	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+DMSO+H"	79.021207
"1015639"	826.469576	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2ACN+H"	83.060376
"1532671"	827.463208	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+IsoProp+Na+H"	84.054008
"998024"	413.738426	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+2ACN+2H"	84.067652
"1590339"	828.377828	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+K+HCOOH"	84.968628
"1423655"	858.409338	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+H+CF3COOH"	115.000138
"1156131"	434.251701	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+3ACN+2H"	125.094202
"1707868"	875.435885	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+NH4+CF3COOH"	132.026685
"1642424"	880.39128	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+Na+CF3COOH"	136.98208
"1586824"	896.36522	"C14062"	"Leucomycin A9"	"C37H61NO14"	"743.4092"	"M+K+CF3COOH"	152.95602
"813918"	799.4718	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M"	0
"984169"	780.45341	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-H2O-H"	-19.01839
"63066"	531.973924	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M-3H"	-3.021828
"504317"	798.464524	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M-3H"	-3.021828
"884306"	265.483324	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-3H"	-3.021828
"12722"	798.464524	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M-2H"	-2.014552
"450096"	1198.200424	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M-2H"	-2.014552
"829722"	398.728624	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-2H"	-2.014552
"86796"	1597.936324	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M-H"	-1.007276
"528545"	2397.408124	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M-H"	-1.007276
"904161"	798.464524	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-H"	-1.007276
"56352"	1614.962871	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M-2H+NH4"	16.019271
"493725"	2414.434671	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M-2H+NH4"	16.019271
"868245"	815.491071	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-2H+NH4"	16.019271
"38334"	1619.918266	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M-2H+Na"	20.974666
"481178"	2419.390066	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M-2H+Na"	20.974666
"856792"	820.446466	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-2H+Na"	20.974666
"1626330"	820.446466	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Na-2H"	20.974666
"97392"	816.452863	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M-H+Cl"	33.962126
"538045"	1216.188763	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M-H+Cl"	33.962126
"931559"	416.716963	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-H+Cl"	33.962126
"273397"	1633.913002	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+Cl"	34.969402
"668003"	2433.384802	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+Cl"	34.969402
"1278221"	834.441202	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Cl"	34.969402
"27340"	1635.892206	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M-2H+K"	36.948606
"464713"	2435.364006	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M-2H+K"	36.948606
"841423"	836.420406	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-2H+K"	36.948606
"1563820"	836.420406	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+K-2H"	36.948606
"951707"	844.469994	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-H+HCOOH"	44.998194
"366640"	1643.941801	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+HCOOH-H"	44.998201
"347241"	1657.957451	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+Hac-H"	59.013851
"1496075"	858.485651	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Hac-H"	59.013851
"958747"	866.451951	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-H+NaCOOH"	66.980151
"113252"	834.441202	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+2Cl"	69.938804
"555729"	1234.177102	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+2Cl"	69.938804
"1028901"	434.705302	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2Cl"	69.938804
"1245198"	878.390685	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Br"	78.918885
"1311658"	880.446672	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Cl+HCOOH"	80.974872
"1332431"	902.428629	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Cl+NaCOOH"	102.956829
"919117"	912.457386	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M-H+CF3COOH"	112.985586
"1290722"	948.434064	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Cl+CF3COOH"	148.962264
"1375085"	764.459124	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H-2H2O"	-35.012676
"1388205"	782.4691	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H-H2O"	-17.0027
"291174"	1599.950876	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+H"	1.007276
"680314"	2399.422676	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+H"	1.007276
"1360675"	800.479076	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H"	1.007276
"136849"	800.479076	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+2H"	2.014552
"577869"	1200.214976	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+2H"	2.014552
"1047398"	400.743176	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2H"	2.014552
"214201"	533.988476	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+3H"	3.021828
"648658"	800.479076	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+3H"	3.021828
"1168971"	267.497876	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+3H"	3.021828
"434066"	1616.977423	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+NH4"	18.033823
"792146"	2416.449223	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+NH4"	18.033823
"1689568"	817.505623	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+NH4"	18.033823
"339670"	808.9923495	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+H+NH4"	19.041099
"728081"	1208.7282495	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+H+NH4"	19.041099
"1488827"	409.2564495	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H+NH4"	19.041099
"401674"	1621.932818	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+Na"	22.989218
"766684"	2421.404618	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+Na"	22.989218
"1614054"	822.461018	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Na"	22.989218
"320811"	811.470047	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+H+Na"	23.996494
"713232"	1211.205947	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+H+Na"	23.996494
"1465960"	411.734147	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H+Na"	23.996494
"1062483"	274.82519	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2H+Na"	25.00377
"1268535"	832.505286	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+CH3OH+H"	33.033486
"381642"	1637.906758	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+K"	38.963158
"745917"	2437.378558	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+K"	38.963158
"1543599"	838.434958	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+K"	38.963158
"309530"	819.457017	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+H+K"	39.970434
"699765"	1219.192917	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+H+K"	39.970434
"1454678"	419.721117	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H+K"	39.970434
"245468"	1640.977426	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+ACN+H"	42.033826
"1221456"	841.505626	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+ACN+H"	42.033826
"1208499"	421.256451	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+ACN+2H"	43.041102
"198210"	1643.91476	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+2Na-H"	44.97116
"639596"	2443.38656	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+2Na-H"	44.97116
"1142735"	844.44296	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2Na-H"	44.97116
"185302"	822.461018	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+2Na"	45.978436
"625227"	1222.196918	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+2Na"	45.978436
"1127638"	422.725118	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2Na"	45.978436
"1412621"	282.152504	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H+2Na"	46.985712
"1441824"	846.484546	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H+HCOOH"	47.012746
"229331"	827.49404	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+3H2O+2H"	56.04448
"1522133"	860.53659	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+IsoProp+H"	61.06479
"421089"	830.447988	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+Na+K"	61.952376
"781354"	1230.183888	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+Na+K"	61.952376
"1672582"	430.712088	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Na+K"	61.952376
"258011"	1662.959368	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+ACN+Na"	64.015768
"1228532"	863.487568	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+ACN+Na"	64.015768
"1723982"	863.511093	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+NH4+HCOOH"	64.039293
"1186055"	289.479818	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+3Na"	68.967654
"1662516"	868.466488	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Na+HCOOH"	68.994688
"171933"	1675.86264	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+2K-H"	76.91904
"607852"	2475.33444	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+2K-H"	76.91904
"1098558"	876.39084	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2K-H"	76.91904
"156468"	838.434958	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"2M+2K"	77.926316
"588737"	1238.170858	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"3M+2K"	77.926316
"1077625"	438.699058	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2K"	77.926316
"1107553"	878.405392	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2K+H"	78.933592
"1347219"	878.493007	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+DMSO+H"	79.021207
"1015747"	882.532176	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2ACN+H"	83.060376
"1532780"	883.525808	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+IsoProp+Na+H"	84.054008
"995946"	441.769726	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+2ACN+2H"	84.067652
"1599200"	884.440428	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+K+HCOOH"	84.968628
"1424860"	914.471938	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+H+CF3COOH"	115.000138
"1160616"	462.283001	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+3ACN+2H"	125.094202
"1707978"	931.498485	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+NH4+CF3COOH"	132.026685
"1648734"	936.45388	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+Na+CF3COOH"	136.98208
"1586934"	952.42782	"C14063"	"Leucomycin A13"	"C41H69NO14"	"799.4718"	"M+K+CF3COOH"	152.95602
"812934"	514.1654	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M"	0
"983915"	495.14701	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-H2O-H"	-19.01839
"63321"	341.769657333333	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M-3H"	-3.021828
"507706"	513.158124	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M-3H"	-3.021828
"880527"	170.381190666667	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-3H"	-3.021828
"8459"	513.158124	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M-2H"	-2.014552
"446926"	770.240824	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M-2H"	-2.014552
"824730"	256.075424	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-2H"	-2.014552
"84719"	1027.323524	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M-H"	-1.007276
"522094"	1541.488924	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M-H"	-1.007276
"899899"	513.158124	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-H"	-1.007276
"48807"	1044.350071	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M-2H+NH4"	16.019271
"487173"	1558.515471	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M-2H+NH4"	16.019271
"865318"	530.184671	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-2H+NH4"	16.019271
"36257"	1049.305466	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M-2H+Na"	20.974666
"483112"	1563.470866	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M-2H+Na"	20.974666
"855813"	535.140066	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-2H+Na"	20.974666
"1625347"	535.140066	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Na-2H"	20.974666
"104064"	531.146463	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M-H+Cl"	33.962126
"535239"	788.229163	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M-H+Cl"	33.962126
"929847"	274.063763	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-H+Cl"	33.962126
"269497"	1063.300202	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+Cl"	34.969402
"663011"	1577.465602	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+Cl"	34.969402
"1272762"	549.134802	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Cl"	34.969402
"15943"	1065.279406	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M-2H+K"	36.948606
"457534"	1579.444806	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M-2H+K"	36.948606
"834971"	551.114006	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-2H+K"	36.948606
"1567215"	551.114006	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+K-2H"	36.948606
"954004"	559.163594	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-H+HCOOH"	44.998194
"371125"	1073.329001	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+HCOOH-H"	44.998201
"348447"	1087.344651	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+Hac-H"	59.013851
"1499466"	573.179251	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Hac-H"	59.013851
"960446"	581.145551	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-H+NaCOOH"	66.980151
"111540"	549.134802	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+2Cl"	69.938804
"553287"	806.217502	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+2Cl"	69.938804
"1024273"	292.052102	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2Cl"	69.938804
"1242758"	593.084285	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Br"	78.918885
"1305935"	595.140272	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Cl+HCOOH"	80.974872
"1327439"	617.122229	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Cl+NaCOOH"	102.956829
"914124"	627.150986	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M-H+CF3COOH"	112.985586
"1290831"	663.127664	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Cl+CF3COOH"	148.962264
"1377381"	479.152724	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H-2H2O"	-35.012676
"1390504"	497.1627	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H-H2O"	-17.0027
"291284"	1029.338076	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+H"	1.007276
"686259"	1543.503476	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+H"	1.007276
"1365772"	515.172676	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H"	1.007276
"136959"	515.172676	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+2H"	2.014552
"579075"	772.255376	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+2H"	2.014552
"1041306"	258.089976	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2H"	2.014552
"214311"	343.784209333333	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+3H"	3.021828
"654236"	515.172676	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+3H"	3.021828
"1170176"	172.395742666667	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+3H"	3.021828
"431260"	1046.364623	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+NH4"	18.033823
"793351"	1560.530023	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+NH4"	18.033823
"1687492"	532.199223	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+NH4"	18.033823
"338687"	523.6859495	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+H+NH4"	19.041099
"734025"	780.7686495	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+H+NH4"	19.041099
"1488208"	266.6032495	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H+NH4"	19.041099
"405432"	1051.320018	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+Na"	22.989218
"764972"	1565.485418	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+Na"	22.989218
"1614164"	537.154618	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Na"	22.989218
"320921"	526.163647	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+H+Na"	23.996494
"713342"	783.246347	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+H+Na"	23.996494
"1466070"	269.080947	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H+Na"	23.996494
"1062593"	179.723056666667	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2H+Na"	25.00377
"1266458"	547.198886	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+CH3OH+H"	33.033486
"385032"	1067.293958	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+K"	38.963158
"747126"	1581.459358	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+K"	38.963158
"1549185"	553.128558	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+K"	38.963158
"305265"	534.150617	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+H+K"	39.970434
"696594"	791.233317	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+H+K"	39.970434
"1451507"	277.067917	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H+K"	39.970434
"245579"	1070.364626	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+ACN+H"	42.033826
"1219381"	556.199226	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+ACN+H"	42.033826
"1203262"	278.603251	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+ACN+2H"	43.041102
"197227"	1073.30196	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+2Na-H"	44.97116
"636790"	1587.46736	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+2Na-H"	44.97116
"1139201"	559.13656	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2Na-H"	44.97116
"181402"	537.154618	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+2Na"	45.978436
"623148"	794.237318	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+2Na"	45.978436
"1124465"	280.071918	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2Na"	45.978436
"1404714"	187.050370666667	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H+2Na"	46.985712
"1438650"	561.178146	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H+HCOOH"	47.012746
"224338"	542.18764	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+3H2O+2H"	56.04448
"1516777"	575.23019	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+IsoProp+H"	61.06479
"420470"	545.141588	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+Na+K"	61.952376
"777453"	802.224288	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+Na+K"	61.952376
"1676706"	288.058888	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Na+K"	61.952376
"258121"	1092.346568	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+ACN+Na"	64.015768
"1235204"	578.181168	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+ACN+Na"	64.015768
"1721905"	578.204693	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+NH4+HCOOH"	64.039293
"1185072"	194.377684666667	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+3Na"	68.967654
"1664088"	583.160088	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Na+HCOOH"	68.994688
"170951"	1105.24984	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+2K-H"	76.91904
"610145"	1619.41524	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+2K-H"	76.91904
"1094656"	591.08444	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2K-H"	76.91904
"155606"	553.128558	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"2M+2K"	77.926316
"594317"	810.211258	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"3M+2K"	77.926316
"1081016"	296.045858	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2K"	77.926316
"1113862"	593.098992	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2K+H"	78.933592
"1346237"	593.186607	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+DMSO+H"	79.021207
"1014766"	597.225776	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2ACN+H"	83.060376
"1533985"	598.219408	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+IsoProp+Na+H"	84.054008
"996057"	299.116526	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+2ACN+2H"	84.067652
"1597123"	599.134028	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+K+HCOOH"	84.968628
"1419503"	629.165538	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+H+CF3COOH"	115.000138
"1155259"	319.629801	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+3ACN+2H"	125.094202
"1704808"	646.192085	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+NH4+CF3COOH"	132.026685
"1645925"	651.14748	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+Na+CF3COOH"	136.98208
"1571856"	667.12142	"C14077"	"Phthalocyanine;29H31H-Phthalocyanine;Pigment blue 16"	"C32H18N8"	"514.1654"	"M+K+CF3COOH"	152.95602
"816325"	696.0838	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M"	0
"984389"	677.06541	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-H2O-H"	-19.01839
"64246"	463.048590666667	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M-3H"	-3.021828
"511096"	695.076524	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M-3H"	-3.021828
"881609"	231.020657333333	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-3H"	-3.021828
"10755"	695.076524	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M-2H"	-2.014552
"448129"	1043.118424	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M-2H"	-2.014552
"824839"	347.034624	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-2H"	-2.014552
"84830"	1391.160324	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M-H"	-1.007276
"524391"	2087.244124	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M-H"	-1.007276
"898915"	695.076524	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-H"	-1.007276
"51102"	1408.186871	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M-2H+NH4"	16.019271
"488224"	2104.270671	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M-2H+NH4"	16.019271
"866280"	712.103071	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-2H+NH4"	16.019271
"34180"	1413.142266	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M-2H+Na"	20.974666
"474835"	2109.226066	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M-2H+Na"	20.974666
"859203"	717.058466	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-2H+Na"	20.974666
"1626550"	717.058466	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Na-2H"	20.974666
"103081"	713.064863	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M-H+Cl"	33.962126
"538265"	1061.106763	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M-H+Cl"	33.962126
"929228"	365.022963	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-H+Cl"	33.962126
"269607"	1427.137002	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+Cl"	34.969402
"662757"	2123.220802	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+Cl"	34.969402
"1273213"	731.053202	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Cl"	34.969402
"18447"	1429.116206	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M-2H+K"	36.948606
"462746"	2125.200006	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M-2H+K"	36.948606
"833415"	733.032406	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-2H+K"	36.948606
"1568418"	733.032406	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+K-2H"	36.948606
"954114"	741.081994	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-H+HCOOH"	44.998194
"370142"	1437.165801	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+HCOOH-H"	44.998201
"350744"	1451.181451	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+Hac-H"	59.013851
"1501763"	755.097651	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Hac-H"	59.013851
"964932"	763.063951	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-H+NaCOOH"	66.980151
"115296"	731.053202	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+2Cl"	69.938804
"554492"	1079.095102	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+2Cl"	69.938804
"1028029"	383.011302	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2Cl"	69.938804
"1243596"	775.002685	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Br"	78.918885
"1306773"	777.058672	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Cl+HCOOH"	80.974872
"1326092"	799.040629	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Cl+NaCOOH"	102.956829
"914233"	809.069386	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M-H+CF3COOH"	112.985586
"1292034"	845.046064	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Cl+CF3COOH"	148.962264
"1377491"	661.071124	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H-2H2O"	-35.012676
"1390614"	679.0811	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H-H2O"	-17.0027
"289207"	1393.174876	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+H"	1.007276
"686002"	2089.258676	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+H"	1.007276
"1366003"	697.091076	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H"	1.007276
"137069"	697.091076	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+2H"	2.014552
"579792"	1045.132976	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+2H"	2.014552
"1040323"	349.049176	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2H"	2.014552
"213692"	465.063142666667	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+3H"	3.021828
"654346"	697.091076	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+3H"	3.021828
"1170286"	233.035209333333	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+3H"	3.021828
"430277"	1410.201423	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+NH4"	18.033823
"793461"	2106.285223	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+NH4"	18.033823
"1686510"	714.117623	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+NH4"	18.033823
"338068"	705.6043495	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+H+NH4"	19.041099
"733406"	1053.6462495	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+H+NH4"	19.041099
"1486496"	357.5624495	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H+NH4"	19.041099
"405542"	1415.156818	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+Na"	22.989218
"765082"	2111.240618	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+Na"	22.989218
"1617313"	719.073018	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Na"	22.989218
"323218"	708.082047	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+H+Na"	23.996494
"715640"	1056.123947	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+H+Na"	23.996494
"1471647"	360.040147	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H+Na"	23.996494
"1064890"	240.362523333333	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2H+Na"	25.00377
"1269849"	729.117286	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+CH3OH+H"	33.033486
"387329"	1431.130758	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+K"	38.963158
"742859"	2127.214558	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+K"	38.963158
"1547108"	735.046958	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+K"	38.963158
"303189"	716.069017	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+H+K"	39.970434
"695245"	1064.110917	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+H+K"	39.970434
"1451617"	368.027117	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H+K"	39.970434
"242406"	1434.201426	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+ACN+H"	42.033826
"1223861"	738.117626	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+ACN+H"	42.033826
"1203371"	369.562451	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+ACN+2H"	43.041102
"200616"	1437.13876	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+2Na-H"	44.97116
"639816"	2133.22256	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+2Na-H"	44.97116
"1139312"	741.05496	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2Na-H"	44.97116
"183698"	719.073018	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+2Na"	45.978436
"624352"	1067.114918	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+2Na"	45.978436
"1124575"	371.031118	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2Na"	45.978436
"1404824"	247.689837333333	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H+2Na"	46.985712
"1436937"	743.096546	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H+HCOOH"	47.012746
"224448"	724.10604	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+3H2O+2H"	56.04448
"1516886"	757.14859	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+IsoProp+H"	61.06479
"419850"	727.059988	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+Na+K"	61.952376
"777563"	1075.101888	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+Na+K"	61.952376
"1677180"	379.018088	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Na+K"	61.952376
"254952"	1456.183368	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+ACN+Na"	64.015768
"1234221"	760.099568	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+ACN+Na"	64.015768
"1722015"	760.123093	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+NH4+HCOOH"	64.039293
"1185182"	255.017151333333	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+3Na"	68.967654
"1662742"	765.078488	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Na+HCOOH"	68.994688
"170336"	1469.08664	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+2K-H"	76.91904
"609165"	2165.17044	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+2K-H"	76.91904
"1096957"	773.00284	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2K-H"	76.91904
"153771"	735.046958	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"2M+2K"	77.926316
"594424"	1083.088858	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"3M+2K"	77.926316
"1081125"	387.005058	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2K"	77.926316
"1111785"	775.017392	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2K+H"	78.933592
"1347441"	775.105007	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+DMSO+H"	79.021207
"1017791"	779.144176	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2ACN+H"	83.060376
"1535188"	780.137808	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+IsoProp+Na+H"	84.054008
"996167"	390.075726	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+2ACN+2H"	84.067652
"1597233"	781.052428	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+K+HCOOH"	84.968628
"1419613"	811.083938	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+H+CF3COOH"	115.000138
"1155369"	410.589001	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+3ACN+2H"	125.094202
"1701638"	828.110485	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+NH4+CF3COOH"	132.026685
"1644942"	833.06588	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+Na+CF3COOH"	136.98208
"1571966"	849.03982	"C14078"	"Congo red;Direct red 28;Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate"	"C32H22N6O6S22Na"	"696.0838"	"M+K+CF3COOH"	152.95602
"814248"	290.079	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M"	0
"985594"	271.06061	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"63627"	192.378724	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"511207"	289.071724	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"885729"	95.685724	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"6492"	289.071724	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"450427"	434.111224	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"824948"	144.032224	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"87127"	579.150724	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"523409"	869.229724	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"901211"	289.071724	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"50120"	596.177271	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"490775"	886.256271	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"868578"	306.098271	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"34292"	601.132666	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"473605"	891.211666	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"857128"	311.053666	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1626660"	311.053666	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"104286"	307.060063	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"539469"	452.099563	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"934077"	162.020563	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"270811"	615.127402	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"663231"	905.206402	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1275635"	325.048402	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"20016"	617.106606	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"463950"	907.185606	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"833367"	327.027606	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1563061"	327.027606	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"949850"	335.077194	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"365878"	625.156201	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"347571"	639.171851	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1496406"	349.092851	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"961030"	357.059151	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"110177"	325.048402	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"550467"	470.087902	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1021728"	180.008902	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1246258"	368.997885	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1306520"	371.053872	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1323287"	393.035829	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"914342"	403.064586	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1291782"	439.041264	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1375414"	255.066324	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1391817"	273.0763	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"283848"	581.165276	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"686112"	871.244276	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1359180"	291.086276	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"137179"	291.086276	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"580387"	436.125776	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1048817"	146.046776	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"211615"	194.393276	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"656646"	291.086276	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1171491"	97.700276	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"435856"	598.191823	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"795759"	888.270823	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1686621"	308.112823	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"337085"	299.5995495	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"735340"	444.6390495	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1483327"	154.5600495	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"406382"	603.147218	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"766286"	893.226218	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1617666"	313.068218	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"329528"	302.077247	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"722068"	447.116747	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1472850"	157.037747	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1065001"	105.02759	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1266679"	323.112486	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"387439"	619.121158	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"742604"	909.200158	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1547218"	329.042158	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"303299"	310.064217	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"700094"	455.103717	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1455007"	165.024717	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"244703"	622.191826	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1224823"	332.112826	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1209193"	166.560051	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"202549"	625.12916	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"639926"	915.20816	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1140515"	335.05016	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"180529"	313.068218	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"624462"	458.107718	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1125778"	168.028718	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1402747"	112.354904	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1435954"	337.091746	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"222371"	318.10124	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1513716"	351.14379	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"413399"	321.055188	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"776579"	466.094688	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1671823"	176.015688	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"255062"	644.173768	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1234331"	354.094768	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1722125"	354.118293	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1185292"	119.682218	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1664186"	359.073688	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"170079"	657.07704	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"610368"	947.15604	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1097432"	366.99804	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"152788"	329.042158	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"594535"	474.081658	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1081235"	184.002658	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1112258"	369.012592	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1346457"	369.100207	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1016808"	373.139376	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1536757"	374.133008	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"999557"	187.073326	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1597343"	375.047628	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1419723"	405.079138	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1155479"	207.586601	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1705028"	422.105685	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1642865"	427.06108	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1571953"	443.03502	"C14079"	"(-)-Catechin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"814357"	242.0281	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M"	0
"985704"	223.00971	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-H2O-H"	-19.01839
"68473"	160.344790666667	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M-3H"	-3.021828
"511316"	241.020824	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M-3H"	-3.021828
"886932"	79.6687573333333	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-3H"	-3.021828
"8789"	241.020824	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M-2H"	-2.014552
"451631"	362.034874	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M-2H"	-2.014552
"826152"	120.006774	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-2H"	-2.014552
"88331"	483.048924	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M-H"	-1.007276
"524612"	725.077024	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M-H"	-1.007276
"904601"	241.020824	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-H"	-1.007276
"53510"	500.075471	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M-2H+NH4"	16.019271
"489792"	742.103571	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M-2H+NH4"	16.019271
"868688"	258.047371	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-2H+NH4"	16.019271
"36589"	505.030866	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M-2H+Na"	20.974666
"475174"	747.058966	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M-2H+Na"	20.974666
"857238"	263.002766	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-2H+Na"	20.974666
"1627863"	263.002766	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Na-2H"	20.974666
"103302"	259.009163	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M-H+Cl"	33.962126
"538486"	380.023213	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M-H+Cl"	33.962126
"930907"	137.995113	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-H+Cl"	33.962126
"270921"	519.025602	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+Cl"	34.969402
"662977"	761.053702	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+Cl"	34.969402
"1275745"	276.997502	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Cl"	34.969402
"20126"	521.004806	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M-2H+K"	36.948606
"462966"	763.032906	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M-2H+K"	36.948606
"833598"	278.976706	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-2H+K"	36.948606
"1562438"	278.976706	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+K-2H"	36.948606
"948865"	287.026294	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-H+HCOOH"	44.998194
"365989"	529.054401	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+HCOOH-H"	44.998201
"346949"	543.070051	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+Hac-H"	59.013851
"1494082"	301.041951	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Hac-H"	59.013851
"960165"	309.008251	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-H+NaCOOH"	66.980151
"111381"	276.997502	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+2Cl"	69.938804
"551549"	398.011552	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+2Cl"	69.938804
"1021439"	155.983452	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2Cl"	69.938804
"1244908"	320.946985	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Br"	78.918885
"1307360"	323.002972	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Cl+HCOOH"	80.974872
"1324856"	344.984929	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Cl+NaCOOH"	102.956829
"921745"	355.013686	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M-H+CF3COOH"	112.985586
"1292257"	390.990364	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Cl+CF3COOH"	148.962264
"1372972"	207.015424	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H-2H2O"	-35.012676
"1391926"	225.0254	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H-H2O"	-17.0027
"286874"	485.063476	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+H"	1.007276
"680025"	727.091576	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+H"	1.007276
"1358926"	243.035376	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H"	1.007276
"134367"	243.035376	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+2H"	2.014552
"578674"	364.049426	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+2H"	2.014552
"1049660"	122.021326	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2H"	2.014552
"211726"	162.359342666667	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+3H"	3.021828
"655659"	243.035376	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+3H"	3.021828
"1174155"	81.6833093333333	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+3H"	3.021828
"432687"	502.090023	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+NH4"	18.033823
"795869"	744.118123	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+NH4"	18.033823
"1686731"	260.061923	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+NH4"	18.033823
"337195"	251.5486495	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+H+NH4"	19.041099
"735086"	372.5626995	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+H+NH4"	19.041099
"1486718"	130.5345995	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H+NH4"	19.041099
"404306"	507.045418	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+Na"	22.989218
"767490"	749.073518	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+Na"	22.989218
"1616685"	265.017318	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Na"	22.989218
"327814"	254.026347	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+H+Na"	23.996494
"722140"	375.040397	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+H+Na"	23.996494
"1476081"	133.012297	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H+Na"	23.996494
"1068240"	89.0106233333333	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2H+Na"	25.00377
"1268977"	275.061586	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+CH3OH+H"	33.033486
"392210"	523.019358	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+K"	38.963158
"748546"	765.047458	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+K"	38.963158
"1552793"	280.991258	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+K"	38.963158
"303409"	262.013317	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+H+K"	39.970434
"702391"	383.027367	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+H+K"	39.970434
"1460342"	140.999267	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H+K"	39.970434
"250646"	526.090026	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+ACN+H"	42.033826
"1225520"	284.061926	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+ACN+H"	42.033826
"1209059"	142.534601	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+ACN+2H"	43.041102
"201204"	529.02736	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+2Na-H"	44.97116
"640766"	771.05546	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+2Na-H"	44.97116
"1145003"	286.99926	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2Na-H"	44.97116
"183919"	265.017318	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+2Na"	45.978436
"627491"	386.031368	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+2Na"	45.978436
"1130628"	144.003268	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2Na"	45.978436
"1410508"	96.3379373333333	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H+2Na"	46.985712
"1439345"	289.040846	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H+HCOOH"	47.012746
"223574"	270.05034	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+3H2O+2H"	56.04448
"1516010"	303.09289	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+IsoProp+H"	61.06479
"417881"	273.004288	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+Na+K"	61.952376
"779969"	394.018338	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+Na+K"	61.952376
"1671933"	151.990238	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Na+K"	61.952376
"252985"	548.071968	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+ACN+Na"	64.015768
"1234441"	306.043868	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+ACN+Na"	64.015768
"1725515"	306.067393	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+NH4+HCOOH"	64.039293
"1181389"	103.665251333333	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+3Na"	68.967654
"1664051"	311.022788	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Na+HCOOH"	68.994688
"169821"	560.97524	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+2K-H"	76.91904
"609381"	803.00334	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+2K-H"	76.91904
"1096081"	318.94714	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2K-H"	76.91904
"151804"	280.991258	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"2M+2K"	77.926316
"590271"	402.005308	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"3M+2K"	77.926316
"1079158"	159.977208	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2K"	77.926316
"1106901"	320.961692	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2K+H"	78.933592
"1345474"	321.049307	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+DMSO+H"	79.021207
"1015097"	325.088476	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2ACN+H"	83.060376
"1535408"	326.082108	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+IsoProp+Na+H"	84.054008
"1000761"	163.047876	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+2ACN+2H"	84.067652
"1594171"	326.996728	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+K+HCOOH"	84.968628
"1419833"	357.028238	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+H+CF3COOH"	115.000138
"1152307"	183.561151	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+3ACN+2H"	125.094202
"1705137"	374.054785	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+NH4+CF3COOH"	132.026685
"1642975"	379.01018	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+Na+CF3COOH"	136.98208
"1571454"	394.98412	"C14081"	"CBS 113A"	"C10H10N2OSHCl"	"242.0281"	"M+K+CF3COOH"	152.95602
"813376"	142.0783	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M"	0
"981439"	123.05991	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H2O-H"	-19.01839
"78294"	93.7115906666667	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-3H"	-3.021828
"508150"	141.071024	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-3H"	-3.021828
"891419"	46.3521573333333	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-3H"	-3.021828
"6715"	141.071024	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H"	-2.014552
"447367"	212.110174	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H"	-2.014552
"826261"	70.031874	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H"	-2.014552
"85162"	283.149324	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-H"	-1.007276
"523631"	425.227624	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-H"	-1.007276
"899247"	141.071024	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H"	-1.007276
"48272"	300.175871	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H+NH4"	16.019271
"490996"	442.254171	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H+NH4"	16.019271
"865638"	158.097571	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H+NH4"	16.019271
"33539"	305.131266	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H+Na"	20.974666
"473098"	447.209566	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H+Na"	20.974666
"860992"	163.052966	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H+Na"	20.974666
"1629068"	163.052966	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na-2H"	20.974666
"103410"	159.059363	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-H+Cl"	33.962126
"538596"	230.098513	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-H+Cl"	33.962126
"931015"	88.020213	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+Cl"	33.962126
"273947"	319.126002	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Cl"	34.969402
"670015"	461.204302	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+Cl"	34.969402
"1283512"	177.047702	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl"	34.969402
"22423"	321.105206	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H+K"	36.948606
"465264"	463.183506	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H+K"	36.948606
"845259"	179.026906	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H+K"	36.948606
"1563281"	179.026906	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K-2H"	36.948606
"947154"	187.076494	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+HCOOH"	44.998194
"369380"	329.154801	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+HCOOH-H"	44.998201
"352169"	343.170451	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Hac-H"	59.013851
"1495168"	201.092151	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Hac-H"	59.013851
"960883"	209.058451	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+NaCOOH"	66.980151
"111369"	177.047702	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2Cl"	69.938804
"551173"	248.086852	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2Cl"	69.938804
"1022644"	106.008552	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2Cl"	69.938804
"1243563"	220.997185	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Br"	78.918885
"1309291"	223.053172	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl+HCOOH"	80.974872
"1321319"	245.035129	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl+NaCOOH"	102.956829
"913832"	255.063886	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+CF3COOH"	112.985586
"1290057"	291.040564	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl+CF3COOH"	148.962264
"1368707"	107.065624	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H-2H2O"	-35.012676
"1395323"	125.0756	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H-H2O"	-17.0027
"295007"	285.163876	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H"	1.007276
"685242"	427.242176	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H"	1.007276
"1365607"	143.085576	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H"	1.007276
"140682"	143.085576	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2H"	2.014552
"581022"	214.124726	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2H"	2.014552
"1048312"	72.046426	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2H"	2.014552
"215117"	95.7261426666667	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+3H"	3.021828
"655772"	143.085576	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+3H"	3.021828
"1173897"	48.3667093333333	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+3H"	3.021828
"435713"	302.190423	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+NH4"	18.033823
"798168"	444.268723	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+NH4"	18.033823
"1695957"	160.112123	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+NH4"	18.033823
"344843"	151.5988495	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H+NH4"	19.041099
"737023"	222.6379995	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H+NH4"	19.041099
"1489019"	80.5596995	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+NH4"	19.041099
"408481"	307.145818	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Na"	22.989218
"768698"	449.224118	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+Na"	22.989218
"1617526"	165.067518	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na"	22.989218
"326829"	154.076547	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H+Na"	23.996494
"720345"	225.115697	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H+Na"	23.996494
"1476109"	83.037397	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+Na"	23.996494
"1066316"	55.6940233333333	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2H+Na"	25.00377
"1272535"	175.111786	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+CH3OH+H"	33.033486
"388757"	323.119758	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+K"	38.963158
"748657"	465.198058	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+K"	38.963158
"1541240"	181.041458	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K"	38.963158
"303521"	162.063517	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H+K"	39.970434
"699221"	233.102667	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H+K"	39.970434
"1460574"	91.024367	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+K"	39.970434
"249301"	326.190426	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+ACN+H"	42.033826
"1221283"	184.112126	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+ACN+H"	42.033826
"1206261"	92.559701	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+ACN+2H"	43.041102
"199860"	329.12776	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2Na-H"	44.97116
"641243"	471.20606	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2Na-H"	44.97116
"1141834"	187.04946	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2Na-H"	44.97116
"183668"	165.067518	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2Na"	45.978436
"627600"	236.106668	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2Na"	45.978436
"1129648"	94.028368	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2Na"	45.978436
"1404423"	63.0213373333333	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+2Na"	46.985712
"1431194"	189.091046	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+HCOOH"	47.012746
"224782"	170.10054	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+3H2O+2H"	56.04448
"1516124"	203.14309	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+IsoProp+H"	61.06479
"413623"	173.054488	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Na+K"	61.952376
"775711"	244.093638	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+Na+K"	61.952376
"1680429"	102.015338	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na+K"	61.952376
"264031"	348.172368	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+ACN+Na"	64.015768
"1234553"	206.094068	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+ACN+Na"	64.015768
"1725634"	206.117593	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+NH4+HCOOH"	64.039293
"1185520"	70.3486513333333	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+3Na"	68.967654
"1659789"	211.072988	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na+HCOOH"	68.994688
"164465"	361.07564	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2K-H"	76.91904
"607305"	503.15394	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2K-H"	76.91904
"1094004"	218.99734	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2K-H"	76.91904
"151915"	181.041458	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2K"	77.926316
"588195"	252.080608	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2K"	77.926316
"1074895"	110.002308	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2K"	77.926316
"1110291"	221.011892	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2K+H"	78.933592
"1344488"	221.099507	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+DMSO+H"	79.021207
"1013021"	225.138676	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2ACN+H"	83.060376
"1534425"	226.132308	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+IsoProp+Na+H"	84.054008
"999780"	113.072976	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2ACN+2H"	84.067652
"1595377"	227.046928	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K+HCOOH"	84.968628
"1426140"	257.078438	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+CF3COOH"	115.000138
"1155698"	133.586251	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+3ACN+2H"	125.094202
"1708531"	274.104985	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+NH4+CF3COOH"	132.026685
"1640899"	279.06038	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na+CF3COOH"	136.98208
"1577643"	295.03432	"C14082"	"1-Methylnaphthalene;alpha-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K+CF3COOH"	152.95602
"813114"	176.0837	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M"	0
"988959"	157.06531	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H2O-H"	-19.01839
"77693"	116.381857333333	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-3H"	-3.021828
"517008"	175.076424	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-3H"	-3.021828
"893716"	57.6872906666667	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-3H"	-3.021828
"11198"	175.076424	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H"	-2.014552
"448571"	263.118274	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H"	-2.014552
"823093"	87.034574	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H"	-2.014552
"83085"	351.160124	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-H"	-1.007276
"522648"	527.243824	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-H"	-1.007276
"902637"	175.076424	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H"	-1.007276
"52639"	368.186671	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H+NH4"	16.019271
"494387"	544.270371	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H+NH4"	16.019271
"875106"	192.102971	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H+NH4"	16.019271
"37903"	373.142066	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H+Na"	20.974666
"481836"	549.225766	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H+Na"	20.974666
"862197"	197.058366	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H+Na"	20.974666
"1633758"	197.058366	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na-2H"	20.974666
"106802"	193.064763	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-H+Cl"	33.962126
"543080"	281.106613	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-H+Cl"	33.962126
"931125"	105.022913	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+Cl"	33.962126
"274057"	387.136802	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Cl"	34.969402
"669032"	563.220502	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+Cl"	34.969402
"1281070"	211.053102	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl"	34.969402
"21804"	389.116006	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H+K"	36.948606
"463187"	565.199706	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H+K"	36.948606
"845368"	213.032306	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H+K"	36.948606
"1569587"	213.032306	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K-2H"	36.948606
"956743"	221.081894	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+HCOOH"	44.998194
"372769"	397.165601	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+HCOOH-H"	44.998201
"355559"	411.181251	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Hac-H"	59.013851
"1497830"	235.097551	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Hac-H"	59.013851
"960268"	243.063851	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+NaCOOH"	66.980151
"112817"	211.053102	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2Cl"	69.938804
"554931"	299.094952	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2Cl"	69.938804
"1025549"	123.011252	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2Cl"	69.938804
"1247683"	255.002585	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Br"	78.918885
"1310131"	257.058572	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl+HCOOH"	80.974872
"1324712"	279.040529	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl+NaCOOH"	102.956829
"912125"	289.069286	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+CF3COOH"	112.985586
"1289924"	325.045964	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl+CF3COOH"	148.962264
"1376840"	141.071024	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H-2H2O"	-35.012676
"1395433"	159.081	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H-H2O"	-17.0027
"295117"	353.174676	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H"	1.007276
"687539"	529.258376	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H"	1.007276
"1366946"	177.090976	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H"	1.007276
"140915"	177.090976	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2H"	2.014552
"580841"	265.132826	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2H"	2.014552
"1048422"	89.049126	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2H"	2.014552
"219853"	118.396409333333	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+3H"	3.021828
"656977"	177.090976	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+3H"	3.021828
"1172913"	59.7018426666667	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+3H"	3.021828
"434001"	370.201223	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+NH4"	18.033823
"800101"	546.284923	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+NH4"	18.033823
"1696314"	194.117523	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+NH4"	18.033823
"345076"	185.6042495	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H+NH4"	19.041099
"737622"	273.6460995	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H+NH4"	19.041099
"1491316"	97.5623995	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+NH4"	19.041099
"408493"	375.156618	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Na"	22.989218
"767716"	551.240318	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+Na"	22.989218
"1618344"	199.072918	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na"	22.989218
"329497"	188.081947	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H+Na"	23.996494
"721431"	276.123797	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H+Na"	23.996494
"1476991"	100.040097	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+Na"	23.996494
"1066305"	67.0291566666667	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2H+Na"	25.00377
"1270170"	209.117186	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+CH3OH+H"	33.033486
"388868"	391.130558	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+K"	38.963158
"747675"	567.214258	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+K"	38.963158
"1550828"	215.046858	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K"	38.963158
"309097"	196.068917	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H+K"	39.970434
"699331"	284.110767	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H+K"	39.970434
"1459713"	108.027067	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+K"	39.970434
"250997"	394.201226	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+ACN+H"	42.033826
"1224678"	218.117526	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+ACN+H"	42.033826
"1209292"	109.562401	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+ACN+2H"	43.041102
"204064"	397.13856	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2Na-H"	44.97116
"643907"	573.22226	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2Na-H"	44.97116
"1146441"	221.05486	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2Na-H"	44.97116
"186329"	199.072918	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2Na"	45.978436
"628244"	287.114768	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2Na"	45.978436
"1130856"	111.031068	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2Na"	45.978436
"1406722"	74.3564706666667	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+2Na"	46.985712
"1434100"	223.096446	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+HCOOH"	47.012746
"227079"	204.10594	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+3H2O+2H"	56.04448
"1517326"	237.14849	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+IsoProp+H"	61.06479
"418106"	207.059888	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Na+K"	61.952376
"778008"	295.101738	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+Na+K"	61.952376
"1681070"	119.018038	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na+K"	61.952376
"267117"	416.183168	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+ACN+Na"	64.015768
"1239404"	240.099468	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+ACN+Na"	64.015768
"1728360"	240.122993	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+NH4+HCOOH"	64.039293
"1185630"	81.6837846666667	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+3Na"	68.967654
"1660993"	245.078388	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na+HCOOH"	68.994688
"170408"	429.08644	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2K-H"	76.91904
"609238"	605.17014	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2K-H"	76.91904
"1096301"	253.00274	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2K-H"	76.91904
"152025"	215.046858	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2K"	77.926316
"589401"	303.088708	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2K"	77.926316
"1078286"	127.005008	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2K"	77.926316
"1109310"	255.017292	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2K+H"	78.933592
"1346786"	255.104907	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+DMSO+H"	79.021207
"1017504"	259.144076	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2ACN+H"	83.060376
"1536723"	260.137708	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+IsoProp+Na+H"	84.054008
"1000984"	130.075676	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2ACN+2H"	84.067652
"1596581"	261.052328	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K+HCOOH"	84.968628
"1421147"	291.083838	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+CF3COOH"	115.000138
"1152528"	150.588951	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+3ACN+2H"	125.094202
"1708641"	308.110385	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+NH4+CF3COOH"	132.026685
"1643196"	313.06578	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na+CF3COOH"	136.98208
"1577753"	329.03972	"C14083"	"cis-12-Dihydroxy-12-dihydro-8-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K+CF3COOH"	152.95602
"808120"	174.0681	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M"	0
"988824"	155.04971	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H2O-H"	-19.01839
"76464"	115.038124	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-3H"	-3.021828
"513838"	173.060824	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-3H"	-3.021828
"889453"	57.015424	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-3H"	-3.021828
"6934"	173.060824	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H"	-2.014552
"446495"	260.094874	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H"	-2.014552
"824298"	86.026774	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H"	-2.014552
"82102"	347.128924	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-H"	-1.007276
"524946"	521.197024	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-H"	-1.007276
"899467"	173.060824	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H"	-1.007276
"56032"	364.155471	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H+NH4"	16.019271
"494498"	538.223571	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H+NH4"	16.019271
"870114"	190.087371	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H+NH4"	16.019271
"36920"	369.110866	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H+Na"	20.974666
"481948"	543.178966	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H+Na"	20.974666
"856474"	195.042766	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H+Na"	20.974666
"1626008"	195.042766	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na-2H"	20.974666
"101443"	191.049163	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-H+Cl"	33.962126
"541003"	278.083213	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-H+Cl"	33.962126
"936338"	104.015113	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+Cl"	33.962126
"273436"	383.105602	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Cl"	34.969402
"664035"	557.173702	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+Cl"	34.969402
"1279357"	209.037502	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl"	34.969402
"23007"	385.084806	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M-2H+K"	36.948606
"464758"	559.152906	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M-2H+K"	36.948606
"844385"	211.016706	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-2H+K"	36.948606
"1566782"	211.016706	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K-2H"	36.948606
"956853"	219.066294	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+HCOOH"	44.998194
"372879"	393.134401	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+HCOOH-H"	44.998201
"352389"	407.150051	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Hac-H"	59.013851
"1499034"	233.081951	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Hac-H"	59.013851
"960378"	241.048251	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+NaCOOH"	66.980151
"112927"	209.037502	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2Cl"	69.938804
"555042"	296.071552	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2Cl"	69.938804
"1024567"	122.003452	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2Cl"	69.938804
"1248887"	252.986985	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Br"	78.918885
"1310605"	255.042972	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl+HCOOH"	80.974872
"1324822"	277.024929	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl+NaCOOH"	102.956829
"913329"	287.053686	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M-H+CF3COOH"	112.985586
"1290035"	323.030364	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Cl+CF3COOH"	148.962264
"1375857"	139.055424	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H-2H2O"	-35.012676
"1398054"	157.0654	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H-H2O"	-17.0027
"295228"	349.143476	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H"	1.007276
"686556"	523.211576	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H"	1.007276
"1366794"	175.075376	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H"	1.007276
"140175"	175.075376	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2H"	2.014552
"581298"	262.109426	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2H"	2.014552
"1052672"	88.041326	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2H"	2.014552
"219721"	117.052676	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+3H"	3.021828
"659277"	175.075376	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+3H"	3.021828
"1173026"	59.029976	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+3H"	3.021828
"435205"	366.170023	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+NH4"	18.033823
"800458"	540.238123	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+NH4"	18.033823
"1695448"	192.101923	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+NH4"	18.033823
"344456"	183.5886495	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H+NH4"	19.041099
"735785"	270.6226995	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H+NH4"	19.041099
"1491062"	96.5545995	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+NH4"	19.041099
"408048"	371.125418	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Na"	22.989218
"764547"	545.193518	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+Na"	22.989218
"1615559"	197.057318	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na"	22.989218
"328877"	186.066347	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H+Na"	23.996494
"720443"	273.100397	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H+Na"	23.996494
"1476209"	99.032297	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+Na"	23.996494
"1062163"	66.35729	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2H+Na"	25.00377
"1271250"	207.101586	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+CH3OH+H"	33.033486
"386791"	387.099358	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+K"	38.963158
"747784"	561.167458	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+K"	38.963158
"1547657"	213.031258	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K"	38.963158
"309207"	194.053317	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+H+K"	39.970434
"699441"	281.087367	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+H+K"	39.970434
"1457637"	107.019267	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+K"	39.970434
"249156"	390.170026	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+ACN+H"	42.033826
"1223326"	216.101926	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+ACN+H"	42.033826
"1207209"	108.554601	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+ACN+2H"	43.041102
"202269"	393.10736	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2Na-H"	44.97116
"642558"	567.17546	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2Na-H"	44.97116
"1145704"	219.03926	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2Na-H"	44.97116
"187052"	197.057318	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2Na"	45.978436
"628315"	284.091368	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2Na"	45.978436
"1129993"	110.023268	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2Na"	45.978436
"1402460"	73.684604	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+2Na"	46.985712
"1436398"	221.080846	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+HCOOH"	47.012746
"230103"	202.09034	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+3H2O+2H"	56.04448
"1518531"	235.13289	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+IsoProp+H"	61.06479
"416030"	205.044288	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+Na+K"	61.952376
"778118"	292.078338	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+Na+K"	61.952376
"1680287"	118.010238	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na+K"	61.952376
"266079"	412.151968	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+ACN+Na"	64.015768
"1239877"	238.083868	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+ACN+Na"	64.015768
"1727073"	238.107393	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+NH4+HCOOH"	64.039293
"1187927"	81.011918	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+3Na"	68.967654
"1661833"	243.062788	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na+HCOOH"	68.994688
"168333"	425.05524	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2K-H"	76.91904
"606433"	599.12334	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2K-H"	76.91904
"1095685"	250.98714	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2K-H"	76.91904
"151771"	213.031258	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"2M+2K"	77.926316
"589511"	300.065308	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"3M+2K"	77.926316
"1075117"	125.997208	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2K"	77.926316
"1106139"	253.001692	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2K+H"	78.933592
"1344712"	253.089307	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+DMSO+H"	79.021207
"1011054"	257.128476	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2ACN+H"	83.060376
"1535376"	258.122108	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+IsoProp+Na+H"	84.054008
"1002554"	129.067876	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+2ACN+2H"	84.067652
"1596691"	259.036728	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K+HCOOH"	84.968628
"1423444"	289.068238	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+H+CF3COOH"	115.000138
"1155918"	149.581151	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+3ACN+2H"	125.094202
"1709480"	306.094785	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+NH4+CF3COOH"	132.026685
"1643306"	311.05018	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+Na+CF3COOH"	136.98208
"1577863"	327.02412	"C14084"	"12-Dihydroxy-8-methylnaphthalene"	"C11H10O2"	"174.0681"	"M+K+CF3COOH"	152.95602
"808230"	206.0579	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M"	0
"989419"	187.03951	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-H2O-H"	-19.01839
"77794"	136.364657333333	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M-3H"	-3.021828
"517801"	205.050624	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M-3H"	-3.021828
"890656"	67.6786906666667	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-3H"	-3.021828
"13605"	205.050624	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M-2H"	-2.014552
"454747"	308.079574	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M-2H"	-2.014552
"830245"	102.021674	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-2H"	-2.014552
"86585"	411.108524	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M-H"	-1.007276
"525056"	617.166424	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M-H"	-1.007276
"901765"	205.050624	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-H"	-1.007276
"56142"	428.135071	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M-2H+NH4"	16.019271
"496795"	634.192971	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M-2H+NH4"	16.019271
"874598"	222.077171	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-2H+NH4"	16.019271
"40310"	433.090466	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M-2H+Na"	20.974666
"482058"	639.148366	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M-2H+Na"	20.974666
"862659"	227.032566	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-2H+Na"	20.974666
"1624295"	227.032566	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Na-2H"	20.974666
"103740"	223.038963	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M-H+Cl"	33.962126
"540384"	326.067913	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M-H+Cl"	33.962126
"937543"	120.010013	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-H+Cl"	33.962126
"275369"	447.085202	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+Cl"	34.969402
"671073"	653.143102	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+Cl"	34.969402
"1283478"	241.027302	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Cl"	34.969402
"24942"	449.064406	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M-2H+K"	36.948606
"469974"	655.122306	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M-2H+K"	36.948606
"844495"	243.006506	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-2H+K"	36.948606
"1565800"	243.006506	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+K-2H"	36.948606
"957450"	251.056094	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-H+HCOOH"	44.998194
"366429"	457.114001	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+HCOOH-H"	44.998201
"352500"	471.129651	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+Hac-H"	59.013851
"1496958"	265.071751	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Hac-H"	59.013851
"965591"	273.038051	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-H+NaCOOH"	66.980151
"115590"	241.027302	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+2Cl"	69.938804
"555150"	344.056252	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+2Cl"	69.938804
"1025772"	137.998352	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2Cl"	69.938804
"1248631"	284.976785	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Br"	78.918885
"1312537"	287.032772	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Cl+HCOOH"	80.974872
"1323837"	309.014729	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Cl+NaCOOH"	102.956829
"913803"	319.043486	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M-H+CF3COOH"	112.985586
"1289658"	355.020164	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Cl+CF3COOH"	148.962264
"1374872"	171.045224	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H-2H2O"	-35.012676
"1398168"	189.0552	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H-H2O"	-17.0027
"297892"	413.123076	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+H"	1.007276
"689705"	619.180976	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+H"	1.007276
"1366067"	207.065176	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H"	1.007276
"140657"	207.065176	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+2H"	2.014552
"580938"	310.094126	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+2H"	2.014552
"1049736"	104.036226	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2H"	2.014552
"219709"	138.379209333333	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+3H"	3.021828
"659632"	207.065176	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+3H"	3.021828
"1173136"	69.6932426666667	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+3H"	3.021828
"439204"	430.149623	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+NH4"	18.033823
"801242"	636.207523	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+NH4"	18.033823
"1696659"	224.091723	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+NH4"	18.033823
"345180"	215.5784495	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+H+NH4"	19.041099
"738404"	318.6073995	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+H+NH4"	19.041099
"1491172"	112.5494995	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H+NH4"	19.041099
"408199"	435.105018	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+Na"	22.989218
"767937"	641.162918	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+Na"	22.989218
"1617497"	229.047118	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Na"	22.989218
"328258"	218.056147	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+H+Na"	23.996494
"721768"	321.085097	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+H+Na"	23.996494
"1475590"	115.027197	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H+Na"	23.996494
"1064461"	77.0205566666667	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2H+Na"	25.00377
"1271239"	239.091386	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+CH3OH+H"	33.033486
"390182"	451.078958	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+K"	38.963158
"751904"	657.136858	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+K"	38.963158
"1547767"	245.021058	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+K"	38.963158
"306037"	226.043117	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+H+K"	39.970434
"697364"	329.072067	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+H+K"	39.970434
"1455559"	123.014167	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H+K"	39.970434
"244161"	454.149626	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+ACN+H"	42.033826
"1221244"	248.091726	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+ACN+H"	42.033826
"1207315"	124.549501	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+ACN+2H"	43.041102
"202015"	457.08696	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+2Na-H"	44.97116
"643032"	663.14486	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+2Na-H"	44.97116
"1146175"	251.02906	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2Na-H"	44.97116
"188446"	229.047118	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+2Na"	45.978436
"627935"	332.076068	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+2Na"	45.978436
"1128152"	126.018168	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2Na"	45.978436
"1409495"	84.3478706666667	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H+2Na"	46.985712
"1445570"	253.070646	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H+HCOOH"	47.012746
"235646"	234.08014	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+3H2O+2H"	56.04448
"1523977"	267.12269	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+IsoProp+H"	61.06479
"423635"	237.034088	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+Na+K"	61.952376
"779321"	340.063038	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+Na+K"	61.952376
"1681004"	134.005138	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Na+K"	61.952376
"266797"	476.131568	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+ACN+Na"	64.015768
"1240109"	270.073668	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+ACN+Na"	64.015768
"1727300"	270.097193	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+NH4+HCOOH"	64.039293
"1191326"	91.6751846666667	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+3Na"	68.967654
"1660853"	275.052588	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Na+HCOOH"	68.994688
"169174"	489.03484	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+2K-H"	76.91904
"602168"	695.09274	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+2K-H"	76.91904
"1091056"	282.97694	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2K-H"	76.91904
"147873"	245.021058	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"2M+2K"	77.926316
"584153"	348.050008	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"3M+2K"	77.926316
"1070853"	141.992108	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2K"	77.926316
"1101144"	284.991492	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2K+H"	78.933592
"1338260"	285.079107	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+DMSO+H"	79.021207
"1010069"	289.118276	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2ACN+H"	83.060376
"1533299"	290.111908	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+IsoProp+Na+H"	84.054008
"1002666"	145.062776	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+2ACN+2H"	84.067652
"1595709"	291.026528	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+K+HCOOH"	84.968628
"1421368"	321.058038	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+H+CF3COOH"	115.000138
"1157122"	165.576051	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+3ACN+2H"	125.094202
"1709590"	338.084585	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+NH4+CF3COOH"	132.026685
"1643416"	343.03998	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+Na+CF3COOH"	136.98208
"1577973"	359.01392	"C14085"	"2-Hydroxy-8-methylchromene-2-carboxylate"	"C11H10O4"	"206.0579"	"M+K+CF3COOH"	152.95602
"808340"	206.0579	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M"	0
"989165"	187.03951	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-H2O-H"	-19.01839
"78238"	136.364657333333	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M-3H"	-3.021828
"514057"	205.050624	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M-3H"	-3.021828
"894047"	67.6786906666667	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-3H"	-3.021828
"15667"	205.050624	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M-2H"	-2.014552
"454368"	308.079574	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M-2H"	-2.014552
"831446"	102.021674	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-2H"	-2.014552
"87788"	411.108524	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M-H"	-1.007276
"529176"	617.166424	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M-H"	-1.007276
"905153"	205.050624	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-H"	-1.007276
"49690"	428.135071	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M-2H+NH4"	16.019271
"492530"	634.192971	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M-2H+NH4"	16.019271
"875801"	222.077171	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-2H+NH4"	16.019271
"44795"	433.090466	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M-2H+Na"	20.974666
"482168"	639.148366	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M-2H+Na"	20.974666
"863014"	227.032566	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-2H+Na"	20.974666
"1631697"	227.032566	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Na-2H"	20.974666
"103850"	223.038963	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M-H+Cl"	33.962126
"543410"	326.067913	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M-H+Cl"	33.962126
"941298"	120.010013	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-H+Cl"	33.962126
"277668"	447.085202	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+Cl"	34.969402
"671183"	653.143102	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+Cl"	34.969402
"1284681"	241.027302	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Cl"	34.969402
"27238"	449.064406	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M-2H+K"	36.948606
"470081"	655.122306	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M-2H+K"	36.948606
"845698"	243.006506	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-2H+K"	36.948606
"1568827"	243.006506	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+K-2H"	36.948606
"957074"	251.056094	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-H+HCOOH"	44.998194
"368728"	457.114001	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+HCOOH-H"	44.998201
"359171"	471.129651	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+Hac-H"	59.013851
"1504358"	265.071751	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Hac-H"	59.013851
"964609"	273.038051	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-H+NaCOOH"	66.980151
"114970"	241.027302	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+2Cl"	69.938804
"554896"	344.056252	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+2Cl"	69.938804
"1026611"	137.998352	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2Cl"	69.938804
"1249107"	284.976785	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Br"	78.918885
"1312647"	287.032772	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Cl+HCOOH"	80.974872
"1324677"	309.014729	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Cl+NaCOOH"	102.956829
"914644"	319.043486	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M-H+CF3COOH"	112.985586
"1289527"	355.020164	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Cl+CF3COOH"	148.962264
"1376075"	171.045224	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H-2H2O"	-35.012676
"1398271"	189.0552	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H-H2O"	-17.0027
"298244"	413.123076	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+H"	1.007276
"690058"	619.180976	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+H"	1.007276
"1365569"	207.065176	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H"	1.007276
"140034"	207.065176	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+2H"	2.014552
"578861"	310.094126	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+2H"	2.014552
"1049846"	104.036226	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2H"	2.014552
"218115"	138.379209333333	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+3H"	3.021828
"658402"	207.065176	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+3H"	3.021828
"1174340"	69.6932426666667	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+3H"	3.021828
"437978"	430.149623	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+NH4"	18.033823
"796421"	636.207523	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+NH4"	18.033823
"1692752"	224.091723	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+NH4"	18.033823
"345452"	215.5784495	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+H+NH4"	19.041099
"738475"	318.6073995	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+H+NH4"	19.041099
"1489459"	112.5494995	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H+NH4"	19.041099
"408142"	435.105018	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+Na"	22.989218
"769504"	641.162918	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+Na"	22.989218
"1617488"	229.047118	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Na"	22.989218
"329511"	218.056147	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+H+Na"	23.996494
"722247"	321.085097	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+H+Na"	23.996494
"1475700"	115.027197	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H+Na"	23.996494
"1062384"	77.0205566666667	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2H+Na"	25.00377
"1269162"	239.091386	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+CH3OH+H"	33.033486
"389198"	451.078958	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+K"	38.963158
"749098"	657.136858	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+K"	38.963158
"1550064"	245.021058	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+K"	38.963158
"310521"	226.043117	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+H+K"	39.970434
"702942"	329.072067	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+H+K"	39.970434
"1456762"	123.014167	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H+K"	39.970434
"246457"	454.149626	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+ACN+H"	42.033826
"1220990"	248.091726	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+ACN+H"	42.033826
"1205967"	124.549501	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+ACN+2H"	43.041102
"199935"	457.08696	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+2Na-H"	44.97116
"640223"	663.14486	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+2Na-H"	44.97116
"1146409"	251.02906	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2Na-H"	44.97116
"188413"	229.047118	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+2Na"	45.978436
"627883"	332.076068	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+2Na"	45.978436
"1128992"	126.018168	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2Na"	45.978436
"1411794"	84.3478706666667	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H+2Na"	46.985712
"1445375"	253.070646	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H+HCOOH"	47.012746
"235269"	234.08014	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+3H2O+2H"	56.04448
"1524109"	267.12269	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+IsoProp+H"	61.06479
"424092"	237.034088	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+Na+K"	61.952376
"784292"	340.063038	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+Na+K"	61.952376
"1680951"	134.005138	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Na+K"	61.952376
"266866"	476.131568	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+ACN+Na"	64.015768
"1237180"	270.073668	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+ACN+Na"	64.015768
"1724973"	270.097193	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+NH4+HCOOH"	64.039293
"1192530"	91.6751846666667	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+3Na"	68.967654
"1660231"	275.052588	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Na+HCOOH"	68.994688
"167826"	489.03484	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+2K-H"	76.91904
"602279"	695.09274	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+2K-H"	76.91904
"1092260"	282.97694	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2K-H"	76.91904
"149076"	245.021058	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"2M+2K"	77.926316
"587544"	348.050008	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"3M+2K"	77.926316
"1076431"	141.992108	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2K"	77.926316
"1101255"	284.991492	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2K+H"	78.933592
"1338371"	285.079107	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+DMSO+H"	79.021207
"1013462"	289.118276	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2ACN+H"	83.060376
"1535233"	290.111908	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+IsoProp+Na+H"	84.054008
"1002408"	145.062776	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+2ACN+2H"	84.067652
"1599097"	291.026528	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+K+HCOOH"	84.968628
"1423664"	321.058038	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+H+CF3COOH"	115.000138
"1156138"	165.576051	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+3ACN+2H"	125.094202
"1708970"	338.084585	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+NH4+CF3COOH"	132.026685
"1643526"	343.03998	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+Na+CF3COOH"	136.98208
"1581363"	359.01392	"C14086"	"2-Hydroxy-3-methylbenzalpyruvate"	"C11H10O4"	"206.0579"	"M+K+CF3COOH"	152.95602
"810637"	136.0524	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M"	0
"988547"	117.03401	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"77885"	89.694324	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"517444"	135.045124	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"894763"	44.343524	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"14919"	135.045124	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"454479"	203.071324	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"832531"	67.018924	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"94062"	271.097524	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"532203"	407.149924	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"907450"	135.045124	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"55267"	288.124071	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"492640"	424.176471	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"878097"	152.071671	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"46363"	293.079466	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"486531"	429.131866	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"864064"	157.027066	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1632906"	157.027066	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"107241"	153.033463	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"543521"	221.059663	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"942345"	85.007263	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"282360"	307.074202	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"673481"	443.126602	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1283698"	171.021802	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"28441"	309.053406	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"469097"	445.105806	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"848268"	173.001006	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1570394"	173.001006	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"957916"	181.050594	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"376132"	317.103001	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"357094"	331.118651	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1508113"	195.066251	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"964719"	203.032551	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"117633"	171.021802	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"555373"	239.048002	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1025266"	102.995602	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1245938"	214.971285	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1311667"	217.027272	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1325882"	239.009229	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"914755"	249.037986	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1292921"	285.014664	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1376186"	101.039724	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1398186"	119.0497	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"297869"	273.112076	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"690047"	409.164476	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1366951"	137.059676	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"140877"	137.059676	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"581205"	205.085876	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1051901"	69.033476	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"218956"	91.708876	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"659448"	137.059676	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1173356"	46.358076	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"434442"	290.138623	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"796531"	426.191023	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1690675"	154.086223	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"343330"	145.5729495	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"738271"	213.5991495	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1489569"	77.5467495	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"407888"	295.094018	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"769930"	431.146418	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1617350"	159.041618	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"329849"	148.050647	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"722780"	216.076847	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1475810"	80.024447	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1064680"	53.68539	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1268179"	169.085886	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"390037"	311.067958	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"749208"	447.120358	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1553456"	175.015558	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"310631"	156.037617	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"703053"	224.063817	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1455780"	88.011417	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"245476"	314.138626	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1222561"	178.086226	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1207903"	89.546751	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"201502"	317.07596	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"640697"	453.12836	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1145910"	181.02356	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"188352"	159.041618	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"627668"	227.067818	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1128737"	91.015418	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1411533"	61.012704	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1442920"	183.065146	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"235620"	164.07464	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1523802"	197.11719	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"424103"	167.028588	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"781359"	235.054788	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1678060"	99.002388	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"266288"	336.120568	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1237290"	200.068168	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1726176"	200.091693	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1193899"	68.340018	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1663626"	205.047088	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"171213"	349.02384	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"608954"	485.07624	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1097113"	212.97144	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"150280"	175.015558	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"588748"	243.041758	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1071073"	106.989358	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1103188"	214.985992	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1336779"	215.073607	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1008103"	219.112776	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1527322"	220.106408	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"1001425"	110.060026	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1592648"	221.021028	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1424868"	251.052538	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1159529"	130.573301	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1711268"	268.079085	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1646916"	273.03448	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1581473"	289.00842	"C14087"	"3-Methylsalicylaldehyde;2-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"807467"	152.0473	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M"	0
"987199"	133.02891	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"77873"	100.357590666667	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"508805"	151.040024	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"889890"	49.6751573333333	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"6278"	151.040024	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"452037"	227.063674	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"830570"	75.016374	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"93239"	303.087324	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"531214"	455.134624	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"909383"	151.040024	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"55377"	320.113871	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"492750"	472.161171	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"877843"	168.066571	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"45744"	325.069266	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"486645"	477.116566	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"864091"	173.021966	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1633016"	173.021966	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"107351"	169.028363	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"544725"	245.052013	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"942371"	93.004713	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"282388"	339.064002	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"675295"	491.111302	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1287088"	187.016702	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"29644"	341.043206	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"469936"	493.090506	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"847013"	188.995906	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1568681"	188.995906	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"956201"	197.045494	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"374415"	349.092801	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"357204"	363.108451	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1501663"	211.061151	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"962642"	219.027451	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"115920"	187.016702	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"552566"	263.040352	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1024282"	110.993052	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1246047"	230.966185	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1309587"	233.022172	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1324897"	255.004129	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"912313"	265.032886	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1291573"	301.009564	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1376295"	117.034624	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1397929"	135.0446	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"297493"	305.101876	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"691089"	457.149176	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1366518"	153.054576	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"139408"	153.054576	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"580423"	229.078226	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1051039"	77.030926	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"218581"	102.372142666667	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"659678"	153.054576	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1173466"	51.6897093333333	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"435646"	322.128423	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"796641"	474.175723	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1690785"	170.081123	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"343440"	161.5678495	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"737323"	237.5914995	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1487492"	85.5441995	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"407635"	327.083818	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"768634"	479.131118	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1616366"	175.036518	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"329075"	164.045547	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"721373"	240.069197	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1474706"	88.021897	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1061510"	59.0170233333333	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1268654"	185.080786	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"386139"	343.057758	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"749318"	495.105058	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1553566"	191.010458	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"308555"	172.032517	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"700977"	248.056167	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1453704"	96.008867	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"242305"	346.128426	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1221212"	194.081126	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1204366"	97.544201	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"199424"	349.06576	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"640443"	501.11306	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1145044"	197.01846	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"185052"	175.036518	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"625341"	251.060168	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1128118"	99.012868	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1412008"	66.3443373333333	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1444123"	199.060046	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"229809"	180.06954	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1522979"	213.11209	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"423889"	183.023488	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"781105"	259.047138	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1675984"	106.999838	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"263598"	368.110368	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1237400"	216.063068	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1724100"	216.086593	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1193843"	73.6716513333333	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1662640"	221.041988	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"170229"	381.01364	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"607969"	533.06094	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1097948"	228.96634	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"149297"	191.010458	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"586672"	267.034108	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1071183"	114.986808	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1102205"	230.980892	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1339683"	231.068507	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1008215"	235.107676	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1528524"	236.101308	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1000442"	118.057476	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1592758"	237.015928	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1424978"	267.047438	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1160733"	138.570751	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1711987"	284.073985	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1647026"	289.02938	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1581583"	305.00332	"C14088"	"3-Methylsalicylate"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"807577"	158.0732	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M"	0
"989375"	139.05481	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-H2O-H"	-19.01839
"77376"	104.374857333333	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M-3H"	-3.021828
"508916"	157.065924	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M-3H"	-3.021828
"890000"	51.6837906666667	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-3H"	-3.021828
"8575"	157.065924	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M-2H"	-2.014552
"452147"	236.102524	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M-2H"	-2.014552
"830680"	78.029324	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-2H"	-2.014552
"94044"	315.139124	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M-H"	-1.007276
"532544"	473.212324	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M-H"	-1.007276
"910470"	157.065924	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-H"	-1.007276
"57675"	332.165671	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M-2H+NH4"	16.019271
"492860"	490.238871	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M-2H+NH4"	16.019271
"878565"	174.092471	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-2H+NH4"	16.019271
"45127"	337.121066	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M-2H+Na"	20.974666
"486513"	495.194266	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M-2H+Na"	20.974666
"863589"	179.047866	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-2H+Na"	20.974666
"1630567"	179.047866	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Na-2H"	20.974666
"107342"	175.054263	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M-H+Cl"	33.962126
"544835"	254.090863	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M-H+Cl"	33.962126
"941265"	96.017663	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-H+Cl"	33.962126
"280434"	351.115802	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+Cl"	34.969402
"674920"	509.189002	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+Cl"	34.969402
"1287444"	193.042602	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Cl"	34.969402
"29392"	353.095006	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M-2H+K"	36.948606
"469681"	511.168206	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M-2H+K"	36.948606
"840562"	195.021806	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-2H+K"	36.948606
"1569156"	195.021806	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+K-2H"	36.948606
"958053"	203.071394	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-H+HCOOH"	44.998194
"375618"	361.144601	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+HCOOH-H"	44.998201
"356221"	375.160251	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+Hac-H"	59.013851
"1501773"	217.087051	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Hac-H"	59.013851
"966032"	225.053351	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-H+NaCOOH"	66.980151
"113845"	193.042602	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+2Cl"	69.938804
"552311"	272.079202	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+2Cl"	69.938804
"1023298"	114.006002	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2Cl"	69.938804
"1246157"	236.992085	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Br"	78.918885
"1306418"	239.048072	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Cl+HCOOH"	80.974872
"1320634"	261.030029	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Cl+NaCOOH"	102.956829
"911694"	271.058786	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M-H+CF3COOH"	112.985586
"1291684"	307.035464	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Cl+CF3COOH"	148.962264
"1373126"	123.060524	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H-2H2O"	-35.012676
"1397189"	141.0705	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H-H2O"	-17.0027
"295778"	317.153676	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+H"	1.007276
"690995"	475.226876	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+H"	1.007276
"1366506"	159.080476	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H"	1.007276
"139640"	159.080476	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+2H"	2.014552
"579929"	238.117076	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+2H"	2.014552
"1051516"	80.043876	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2H"	2.014552
"219419"	106.389409333333	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+3H"	3.021828
"659103"	159.080476	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+3H"	3.021828
"1175764"	53.6983426666667	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+3H"	3.021828
"434663"	334.180223	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+NH4"	18.033823
"797845"	492.253423	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+NH4"	18.033823
"1690896"	176.107023	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+NH4"	18.033823
"343916"	167.5937495	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+H+NH4"	19.041099
"737433"	246.6303495	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+H+NH4"	19.041099
"1492470"	88.5571495	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H+NH4"	19.041099
"407993"	339.135618	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+Na"	22.989218
"768745"	497.208818	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+Na"	22.989218
"1616479"	181.062418	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Na"	22.989218
"329066"	170.071447	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+H+Na"	23.996494
"721250"	249.108047	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+H+Na"	23.996494
"1474936"	91.034847	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H+Na"	23.996494
"1064902"	61.0256566666667	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2H+Na"	25.00377
"1267671"	191.106686	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+CH3OH+H"	33.033486
"387342"	355.109558	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+K"	38.963158
"748334"	513.182758	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+K"	38.963158
"1554042"	197.036358	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+K"	38.963158
"310852"	178.058417	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+H+K"	39.970434
"703274"	257.095017	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+H+K"	39.970434
"1454909"	99.021817	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H+K"	39.970434
"243510"	358.180226	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+ACN+H"	42.033826
"1219865"	200.107026	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+ACN+H"	42.033826
"1206664"	100.557151	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+ACN+2H"	43.041102
"200993"	361.11756	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+2Na-H"	44.97116
"641646"	519.19076	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+2Na-H"	44.97116
"1145155"	203.04436	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2Na-H"	44.97116
"186870"	181.062418	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+2Na"	45.978436
"626430"	260.099018	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+2Na"	45.978436
"1129321"	102.025818	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2Na"	45.978436
"1410659"	68.3529706666667	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H+2Na"	46.985712
"1440223"	205.085946	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H+HCOOH"	47.012746
"229919"	186.09544	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+3H2O+2H"	56.04448
"1515794"	219.13799	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+IsoProp+H"	61.06479
"423263"	189.049388	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+Na+K"	61.952376
"780850"	268.085988	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+Na+K"	61.952376
"1679255"	110.012788	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Na+K"	61.952376
"263707"	380.162168	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+ACN+Na"	64.015768
"1239697"	222.088968	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+ACN+Na"	64.015768
"1727367"	222.112493	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+NH4+HCOOH"	64.039293
"1193589"	75.6802846666667	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+3Na"	68.967654
"1663480"	227.067888	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Na+HCOOH"	68.994688
"171070"	393.06544	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+2K-H"	76.91904
"607716"	551.13864	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+2K-H"	76.91904
"1096966"	234.99224	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2K-H"	76.91904
"152692"	197.036358	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"2M+2K"	77.926316
"590063"	276.072958	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"3M+2K"	77.926316
"1076761"	117.999758	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2K"	77.926316
"1102314"	237.006792	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2K+H"	78.933592
"1338699"	237.094407	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+DMSO+H"	79.021207
"1010510"	241.133576	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2ACN+H"	83.060376
"1528636"	242.127208	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+IsoProp+Na+H"	84.054008
"1002740"	121.070426	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+2ACN+2H"	84.067652
"1592866"	243.041828	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+K+HCOOH"	84.968628
"1421808"	273.073338	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+H+CF3COOH"	115.000138
"1157563"	141.583701	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+3ACN+2H"	125.094202
"1710395"	290.099885	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+NH4+CF3COOH"	132.026685
"1647136"	295.05528	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+Na+CF3COOH"	136.98208
"1581693"	311.02922	"C14089"	"1-Hydroxymethylnaphthalene;1-Naphthalenemethanol"	"C11H10O"	"158.0732"	"M+K+CF3COOH"	152.95602
"808780"	156.0575	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M"	0
"987784"	137.03911	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-H2O-H"	-19.01839
"72744"	103.031057333333	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M-3H"	-3.021828
"509026"	155.050224	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M-3H"	-3.021828
"890110"	51.0118906666667	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-3H"	-3.021828
"8685"	155.050224	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M-2H"	-2.014552
"451526"	233.078974	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M-2H"	-2.014552
"828236"	77.021474	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-2H"	-2.014552
"93455"	311.107724	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M-H"	-1.007276
"532163"	467.165224	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M-H"	-1.007276
"910092"	155.050224	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-H"	-1.007276
"61675"	328.134271	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M-2H+NH4"	16.019271
"499167"	484.191771	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M-2H+NH4"	16.019271
"878672"	172.076771	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-2H+NH4"	16.019271
"46575"	333.089666	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M-2H+Na"	20.974666
"486499"	489.147166	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M-2H+Na"	20.974666
"863094"	177.032166	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-2H+Na"	20.974666
"1632745"	177.032166	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Na-2H"	20.974666
"104292"	173.038563	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M-H+Cl"	33.962126
"546038"	251.067313	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M-H+Cl"	33.962126
"940892"	95.009813	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-H+Cl"	33.962126
"280907"	347.084402	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+Cl"	34.969402
"672721"	503.141902	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+Cl"	34.969402
"1286825"	191.026902	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Cl"	34.969402
"27679"	349.063606	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M-2H+K"	36.948606
"469427"	505.121106	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M-2H+K"	36.948606
"840672"	193.006106	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-2H+K"	36.948606
"1568902"	193.006106	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+K-2H"	36.948606
"957878"	201.055694	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-H+HCOOH"	44.998194
"375730"	357.113201	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+HCOOH-H"	44.998201
"356331"	371.128851	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+Hac-H"	59.013851
"1505163"	215.071351	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Hac-H"	59.013851
"966142"	223.037651	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-H+NaCOOH"	66.980151
"117235"	191.026902	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+2Cl"	69.938804
"553149"	269.055652	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+2Cl"	69.938804
"1022680"	112.998152	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2Cl"	69.938804
"1245174"	234.976385	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Br"	78.918885
"1304703"	237.032372	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Cl+HCOOH"	80.974872
"1324025"	259.014329	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Cl+NaCOOH"	102.956829
"915084"	269.043086	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M-H+CF3COOH"	112.985586
"1293981"	305.019764	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Cl+CF3COOH"	148.962264
"1376516"	121.044824	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H-2H2O"	-35.012676
"1398188"	139.0548	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H-H2O"	-17.0027
"298322"	313.122276	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+H"	1.007276
"689404"	469.179776	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+H"	1.007276
"1366500"	157.064776	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H"	1.007276
"140478"	157.064776	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+2H"	2.014552
"579310"	235.093526	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+2H"	2.014552
"1052241"	79.036026	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2H"	2.014552
"219410"	105.045609333333	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+3H"	3.021828
"659704"	157.064776	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+3H"	3.021828
"1175874"	53.0264426666667	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+3H"	3.021828
"434773"	330.148823	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+NH4"	18.033823
"797955"	486.206323	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+NH4"	18.033823
"1689912"	174.091323	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+NH4"	18.033823
"344389"	165.5780495	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+H+NH4"	19.041099
"737905"	243.6067995	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+H+NH4"	19.041099
"1491847"	87.5492995	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H+NH4"	19.041099
"408067"	335.104218	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+Na"	22.989218
"769462"	491.161718	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+Na"	22.989218
"1617685"	179.046718	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Na"	22.989218
"329666"	168.055747	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+H+Na"	23.996494
"722571"	246.084497	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+H+Na"	23.996494
"1475046"	90.026997	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H+Na"	23.996494
"1062825"	60.3537566666667	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2H+Na"	25.00377
"1269967"	189.090986	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+CH3OH+H"	33.033486
"390364"	351.078158	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+K"	38.963158
"747351"	507.135658	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+K"	38.963158
"1554878"	195.020658	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+K"	38.963158
"310962"	176.042717	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+H+K"	39.970434
"701198"	254.071467	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+H+K"	39.970434
"1455019"	98.013967	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H+K"	39.970434
"242527"	354.148826	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+ACN+H"	42.033826
"1219609"	198.091326	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+ACN+H"	42.033826
"1204586"	99.549301	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+ACN+2H"	43.041102
"199280"	357.08616	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+2Na-H"	44.97116
"641392"	513.14366	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+2Na-H"	44.97116
"1144169"	201.02866	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2Na-H"	44.97116
"186737"	179.046718	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+2Na"	45.978436
"625928"	257.075468	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+2Na"	45.978436
"1129917"	101.017968	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2Na"	45.978436
"1410403"	67.6810706666667	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H+2Na"	46.985712
"1434136"	203.070246	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H+HCOOH"	47.012746
"224561"	184.07974	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+3H2O+2H"	56.04448
"1513717"	217.12229	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+IsoProp+H"	61.06479
"415591"	187.033688	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+Na+K"	61.952376
"780960"	265.062438	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+Na+K"	61.952376
"1679975"	109.004938	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Na+K"	61.952376
"266737"	376.130768	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+ACN+Na"	64.015768
"1239808"	220.073268	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+ACN+Na"	64.015768
"1726506"	220.096793	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+NH4+HCOOH"	64.039293
"1193822"	75.0083846666667	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+3Na"	68.967654
"1663225"	225.052188	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Na+HCOOH"	68.994688
"168266"	389.03404	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+2K-H"	76.91904
"607095"	545.09154	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+2K-H"	76.91904
"1097804"	232.97654	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2K-H"	76.91904
"152800"	195.020658	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"2M+2K"	77.926316
"589079"	273.049408	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"3M+2K"	77.926316
"1076871"	116.991908	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2K"	77.926316
"1102788"	234.991092	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2K+H"	78.933592
"1338810"	235.078707	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+DMSO+H"	79.021207
"1009529"	239.117876	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2ACN+H"	83.060376
"1528746"	240.111508	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+IsoProp+Na+H"	84.054008
"1002850"	120.062576	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+2ACN+2H"	84.067652
"1594070"	241.026128	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+K+HCOOH"	84.968628
"1420824"	271.057638	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+H+CF3COOH"	115.000138
"1160590"	140.575851	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+3ACN+2H"	125.094202
"1711236"	288.084185	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+NH4+CF3COOH"	132.026685
"1647246"	293.03958	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+Na+CF3COOH"	136.98208
"1581803"	309.01352	"C14090"	"1-Naphthaldehyde;1-Formylnaphthalene"	"C11H8O"	"156.0575"	"M+K+CF3COOH"	152.95602
"808890"	172.0524	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M"	0
"988986"	153.03401	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H2O-H"	-19.01839
"71761"	113.694324	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-3H"	-3.021828
"509136"	171.045124	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-3H"	-3.021828
"886939"	56.343524	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-3H"	-3.021828
"8795"	171.045124	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H"	-2.014552
"451637"	257.071324	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H"	-2.014552
"830171"	85.018924	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H"	-2.014552
"92595"	343.097524	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-H"	-1.007276
"531182"	515.149924	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-H"	-1.007276
"909960"	171.045124	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H"	-1.007276
"61055"	360.124071	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H+NH4"	16.019271
"501709"	532.176471	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H+NH4"	16.019271
"878540"	188.071671	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H+NH4"	16.019271
"46441"	365.079466	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H+Na"	20.974666
"485634"	537.131866	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H+Na"	20.974666
"863891"	193.027066	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H+Na"	20.974666
"1632978"	193.027066	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na-2H"	20.974666
"108534"	189.033463	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-H+Cl"	33.962126
"549065"	275.059663	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-H+Cl"	33.962126
"941487"	103.007263	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+Cl"	33.962126
"282353"	379.074202	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Cl"	34.969402
"673682"	551.126602	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+Cl"	34.969402
"1286326"	207.021802	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl"	34.969402
"28882"	381.053406	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H+K"	36.948606
"469173"	553.105806	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H+K"	36.948606
"842968"	209.001006	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H+K"	36.948606
"1568647"	209.001006	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K-2H"	36.948606
"955802"	217.050594	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+HCOOH"	44.998194
"373289"	389.103001	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+HCOOH-H"	44.998201
"358265"	403.118651	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Hac-H"	59.013851
"1504545"	231.066251	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Hac-H"	59.013851
"966252"	239.032551	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+NaCOOH"	66.980151
"112121"	207.021802	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2Cl"	69.938804
"550702"	293.048002	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2Cl"	69.938804
"1021815"	120.995602	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2Cl"	69.938804
"1245284"	250.971285	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Br"	78.918885
"1305300"	253.027272	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl+HCOOH"	80.974872
"1321218"	275.009229	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl+NaCOOH"	102.956829
"913006"	285.037986	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+CF3COOH"	112.985586
"1292998"	321.014664	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl+CF3COOH"	148.962264
"1372252"	137.039724	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H-2H2O"	-35.012676
"1393031"	155.0497	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H-H2O"	-17.0027
"293812"	345.112076	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H"	1.007276
"689513"	517.164476	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H"	1.007276
"1366555"	173.059676	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H"	1.007276
"140828"	173.059676	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2H"	2.014552
"580507"	259.085876	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2H"	2.014552
"1052222"	87.033476	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2H"	2.014552
"216112"	115.708876	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+3H"	3.021828
"659866"	173.059676	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+3H"	3.021828
"1173797"	58.358076	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+3H"	3.021828
"434883"	362.138623	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+NH4"	18.033823
"796971"	534.191023	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+NH4"	18.033823
"1691115"	190.086223	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+NH4"	18.033823
"342675"	181.5729495	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H+NH4"	19.041099
"737649"	267.5991495	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H+NH4"	19.041099
"1492653"	95.5467495	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+NH4"	19.041099
"408415"	367.094018	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Na"	22.989218
"769694"	539.146418	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+Na"	22.989218
"1618319"	195.041618	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na"	22.989218
"329856"	184.050647	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H+Na"	23.996494
"722676"	270.076847	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H+Na"	23.996494
"1474792"	98.024447	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+Na"	23.996494
"1064028"	65.68539	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2H+Na"	25.00377
"1266799"	205.085886	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+CH3OH+H"	33.033486
"386463"	383.067958	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+K"	38.963158
"747460"	555.120358	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+K"	38.963158
"1554988"	211.015558	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K"	38.963158
"311071"	192.037617	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H+K"	39.970434
"702401"	278.063817	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H+K"	39.970434
"1456222"	106.011417	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+K"	39.970434
"242637"	386.138626	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+ACN+H"	42.033826
"1216439"	214.086226	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+ACN+H"	42.033826
"1204696"	107.546751	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+ACN+2H"	43.041102
"199754"	389.07596	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2Na-H"	44.97116
"641501"	561.12836	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2Na-H"	44.97116
"1143914"	217.02356	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2Na-H"	44.97116
"187819"	195.041618	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2Na"	45.978436
"626400"	281.067818	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2Na"	45.978436
"1129541"	109.015418	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2Na"	45.978436
"1411606"	73.012704	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+2Na"	46.985712
"1434975"	219.065146	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+HCOOH"	47.012746
"229046"	200.07464	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+3H2O+2H"	56.04448
"1516015"	233.11719	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+IsoProp+H"	61.06479
"418981"	203.028588	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Na+K"	61.952376
"781070"	289.054788	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+Na+K"	61.952376
"1680204"	117.002388	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na+K"	61.952376
"265021"	408.120568	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+ACN+Na"	64.015768
"1236636"	236.068168	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+ACN+Na"	64.015768
"1722969"	236.091693	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+NH4+HCOOH"	64.039293
"1188689"	80.340018	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+3Na"	68.967654
"1661150"	241.047088	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na+HCOOH"	68.994688
"167647"	421.02384	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2K-H"	76.91904
"606842"	593.07624	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2K-H"	76.91904
"1096819"	248.97144	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2K-H"	76.91904
"153639"	211.015558	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2K"	77.926316
"587002"	297.041758	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2K"	77.926316
"1075887"	124.989358	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2K"	77.926316
"1102535"	250.985992	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2K+H"	78.933592
"1337827"	251.073607	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+DMSO+H"	79.021207
"1009638"	255.112776	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2ACN+H"	83.060376
"1528856"	256.106408	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+IsoProp+Na+H"	84.054008
"996399"	128.060026	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2ACN+2H"	84.067652
"1597462"	257.021028	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K+HCOOH"	84.968628
"1423122"	287.052538	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+CF3COOH"	115.000138
"1161065"	148.573301	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+3ACN+2H"	125.094202
"1711709"	304.079085	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+NH4+CF3COOH"	132.026685
"1647356"	309.03448	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na+CF3COOH"	136.98208
"1581913"	325.00842	"C14091"	"1-Naphthoic acid;1-Carboxynaphthalene;alpha-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K+CF3COOH"	152.95602
"809000"	206.0579	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M"	0
"988003"	187.03951	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-H2O-H"	-19.01839
"71871"	136.364657333333	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M-3H"	-3.021828
"509246"	205.050624	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M-3H"	-3.021828
"887049"	67.6786906666667	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-3H"	-3.021828
"8905"	205.050624	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M-2H"	-2.014552
"449559"	308.079574	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M-2H"	-2.014552
"830645"	102.021674	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-2H"	-2.014552
"92462"	411.108524	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M-H"	-1.007276
"532020"	617.166424	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M-H"	-1.007276
"910434"	205.050624	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-H"	-1.007276
"62017"	428.135071	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M-2H+NH4"	16.019271
"502143"	634.192971	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M-2H+NH4"	16.019271
"876461"	222.077171	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-2H+NH4"	16.019271
"45091"	433.090466	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M-2H+Na"	20.974666
"486473"	639.148366	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M-2H+Na"	20.974666
"862820"	227.032566	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-2H+Na"	20.974666
"1632237"	227.032566	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Na-2H"	20.974666
"107793"	223.038963	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M-H+Cl"	33.962126
"548324"	326.067913	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M-H+Cl"	33.962126
"940867"	120.010013	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-H+Cl"	33.962126
"279425"	447.085202	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+Cl"	34.969402
"671848"	653.143102	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+Cl"	34.969402
"1286435"	241.027302	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Cl"	34.969402
"26805"	449.064406	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M-2H+K"	36.948606
"468552"	655.122306	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M-2H+K"	36.948606
"843078"	243.006506	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-2H+K"	36.948606
"1569485"	243.006506	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+K-2H"	36.948606
"954818"	251.056094	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-H+HCOOH"	44.998194
"374492"	457.114001	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+HCOOH-H"	44.998201
"358375"	471.129651	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+Hac-H"	59.013851
"1504291"	265.071751	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Hac-H"	59.013851
"965269"	273.038051	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-H+NaCOOH"	66.980151
"111137"	241.027302	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+2Cl"	69.938804
"550812"	344.056252	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+2Cl"	69.938804
"1022042"	137.998352	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2Cl"	69.938804
"1243207"	284.976785	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Br"	78.918885
"1304679"	287.032772	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Cl+HCOOH"	80.974872
"1321692"	309.014729	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Cl+NaCOOH"	102.956829
"911653"	319.043486	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M-H+CF3COOH"	112.985586
"1292012"	355.020164	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Cl+CF3COOH"	148.962264
"1370175"	171.045224	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H-2H2O"	-35.012676
"1387672"	189.0552	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H-H2O"	-17.0027
"288451"	413.123076	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+H"	1.007276
"684154"	619.180976	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+H"	1.007276
"1363786"	207.065176	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H"	1.007276
"139235"	207.065176	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+2H"	2.014552
"580614"	310.094126	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+2H"	2.014552
"1050873"	104.036226	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2H"	2.014552
"216951"	138.379209333333	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+3H"	3.021828
"657972"	207.065176	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+3H"	3.021828
"1173906"	69.6932426666667	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+3H"	3.021828
"434993"	430.149623	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+NH4"	18.033823
"795988"	636.207523	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+NH4"	18.033823
"1691225"	224.091723	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+NH4"	18.033823
"340599"	215.5784495	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+H+NH4"	19.041099
"735208"	318.6073995	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+H+NH4"	19.041099
"1491215"	112.5494995	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H+NH4"	19.041099
"404426"	435.105018	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+Na"	22.989218
"765428"	641.162918	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+Na"	22.989218
"1615712"	229.047118	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Na"	22.989218
"327935"	218.056147	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+H+Na"	23.996494
"718166"	321.085097	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+H+Na"	23.996494
"1471986"	115.027197	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H+Na"	23.996494
"1060857"	77.0205566666667	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2H+Na"	25.00377
"1268000"	239.091386	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+CH3OH+H"	33.033486
"384386"	451.078958	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+K"	38.963158
"742103"	657.136858	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+K"	38.963158
"1552183"	245.021058	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+K"	38.963158
"308994"	226.043117	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+H+K"	39.970434
"702511"	329.072067	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+H+K"	39.970434
"1454143"	123.014167	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H+K"	39.970434
"239464"	454.149626	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+ACN+H"	42.033826
"1215455"	248.091726	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+ACN+H"	42.033826
"1200432"	124.549501	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+ACN+2H"	43.041102
"198770"	457.08696	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+2Na-H"	44.97116
"636141"	663.14486	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+2Na-H"	44.97116
"1138556"	251.02906	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2Na-H"	44.97116
"181846"	229.047118	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+2Na"	45.978436
"624685"	332.076068	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+2Na"	45.978436
"1126004"	126.018168	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2Na"	45.978436
"1406246"	84.3478706666667	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H+2Na"	46.985712
"1432290"	253.070646	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H+HCOOH"	47.012746
"229156"	234.08014	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+3H2O+2H"	56.04448
"1517218"	267.12269	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+IsoProp+H"	61.06479
"419091"	237.034088	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+Na+K"	61.952376
"772432"	340.063038	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+Na+K"	61.952376
"1677884"	134.005138	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Na+K"	61.952376
"264036"	476.131568	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+ACN+Na"	64.015768
"1236745"	270.073668	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+ACN+Na"	64.015768
"1723443"	270.097193	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+NH4+HCOOH"	64.039293
"1185518"	91.6751846666667	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+3Na"	68.967654
"1662351"	275.052588	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Na+HCOOH"	68.994688
"169214"	489.03484	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+2K-H"	76.91904
"608410"	695.09274	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+2K-H"	76.91904
"1096930"	282.97694	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2K-H"	76.91904
"151926"	245.021058	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"2M+2K"	77.926316
"584925"	348.050008	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"3M+2K"	77.926316
"1074904"	141.992108	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2K"	77.926316
"1101794"	284.991492	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2K+H"	78.933592
"1337937"	285.079107	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+DMSO+H"	79.021207
"1008655"	289.118276	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2ACN+H"	83.060376
"1527873"	290.111908	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+IsoProp+Na+H"	84.054008
"996509"	145.062776	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+2ACN+2H"	84.067652
"1598666"	291.026528	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+K+HCOOH"	84.968628
"1423232"	321.058038	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+H+CF3COOH"	115.000138
"1161418"	165.576051	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+3ACN+2H"	125.094202
"1711453"	338.084585	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+NH4+CF3COOH"	132.026685
"1647466"	343.03998	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+Na+CF3COOH"	136.98208
"1582023"	359.01392	"C14092"	"cis-12-Dihydroxy-12-dihydro-8-carboxynaphthalene"	"C11H10O4"	"206.0579"	"M+K+CF3COOH"	152.95602
"813485"	204.0423	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M"	0
"988964"	185.02391	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-H2O-H"	-19.01839
"73074"	135.020924	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M-3H"	-3.021828
"516284"	203.035024	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M-3H"	-3.021828
"892626"	67.006824	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-3H"	-3.021828
"13756"	203.035024	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M-2H"	-2.014552
"455577"	305.056174	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M-2H"	-2.014552
"832735"	101.013874	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-2H"	-2.014552
"94220"	407.077324	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M-H"	-1.007276
"534130"	611.119624	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M-H"	-1.007276
"911113"	203.035024	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-H"	-1.007276
"53736"	424.103871	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M-2H+NH4"	16.019271
"502419"	628.146171	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M-2H+NH4"	16.019271
"879285"	220.061571	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-2H+NH4"	16.019271
"47059"	429.059266	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M-2H+Na"	20.974666
"486509"	633.101566	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M-2H+Na"	20.974666
"863299"	225.016966	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-2H+Na"	20.974666
"1631374"	225.016966	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Na-2H"	20.974666
"109242"	221.023363	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M-H+Cl"	33.962126
"548557"	323.044513	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M-H+Cl"	33.962126
"939884"	119.002213	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-H+Cl"	33.962126
"278441"	443.054002	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+Cl"	34.969402
"674267"	647.096302	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+Cl"	34.969402
"1286424"	239.011702	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Cl"	34.969402
"29102"	445.033206	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M-2H+K"	36.948606
"469394"	649.075506	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M-2H+K"	36.948606
"842095"	240.990906	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-2H+K"	36.948606
"1569959"	240.990906	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+K-2H"	36.948606
"957969"	249.040494	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-H+HCOOH"	44.998194
"375331"	453.082801	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+HCOOH-H"	44.998201
"358485"	467.098451	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+Hac-H"	59.013851
"1505859"	263.056151	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Hac-H"	59.013851
"968659"	271.022451	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-H+NaCOOH"	66.980151
"114286"	239.011702	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+2Cl"	69.938804
"553847"	341.032852	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+2Cl"	69.938804
"1021794"	136.990552	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2Cl"	69.938804
"1244412"	282.961185	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Br"	78.918885
"1306859"	285.017172	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Cl+HCOOH"	80.974872
"1324355"	306.999129	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Cl+NaCOOH"	102.956829
"915414"	317.027886	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M-H+CF3COOH"	112.985586
"1292122"	353.004564	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Cl+CF3COOH"	148.962264
"1375754"	169.029624	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H-2H2O"	-35.012676
"1389971"	187.0396	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H-H2O"	-17.0027
"290749"	409.091876	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+H"	1.007276
"685357"	613.134176	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+H"	1.007276
"1365718"	205.049576	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H"	1.007276
"141296"	205.049576	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+2H"	2.014552
"581271"	307.070726	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+2H"	2.014552
"1051347"	103.028426	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2H"	2.014552
"219695"	137.035476	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+3H"	3.021828
"659841"	205.049576	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+3H"	3.021828
"1176567"	69.021376	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+3H"	3.021828
"436195"	426.118423	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+NH4"	18.033823
"799743"	630.160723	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+NH4"	18.033823
"1690238"	222.076123	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+NH4"	18.033823
"345082"	213.5628495	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+H+NH4"	19.041099
"738236"	315.5839995	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+H+NH4"	19.041099
"1492176"	111.5416995	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H+NH4"	19.041099
"405629"	431.073818	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+Na"	22.989218
"768090"	635.116118	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+Na"	22.989218
"1616919"	227.031518	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Na"	22.989218
"329503"	216.040547	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+H+Na"	23.996494
"722287"	318.061697	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+H+Na"	23.996494
"1476472"	114.019397	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H+Na"	23.996494
"1066314"	76.34869	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2H+Na"	25.00377
"1271150"	237.075786	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+CH3OH+H"	33.033486
"389964"	447.047758	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+K"	38.963158
"746588"	651.090058	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+K"	38.963158
"1553387"	243.005458	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+K"	38.963158
"312021"	224.027517	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+H+K"	39.970434
"705903"	326.048667	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+H+K"	39.970434
"1459358"	122.006367	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H+K"	39.970434
"247958"	450.118426	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+ACN+H"	42.033826
"1222493"	246.076126	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+ACN+H"	42.033826
"1206376"	123.541701	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+ACN+2H"	43.041102
"199975"	453.05576	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+2Na-H"	44.97116
"642814"	657.09806	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+2Na-H"	44.97116
"1145229"	249.01346	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2Na-H"	44.97116
"184873"	227.031518	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+2Na"	45.978436
"624432"	329.052668	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+2Na"	45.978436
"1129395"	125.010368	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2Na"	45.978436
"1410730"	83.676004	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H+2Na"	46.985712
"1438477"	251.055046	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H+HCOOH"	47.012746
"228171"	232.06454	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+3H2O+2H"	56.04448
"1521338"	265.10709	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+IsoProp+H"	61.06479
"419201"	235.018488	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+Na+K"	61.952376
"775822"	337.039638	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+Na+K"	61.952376
"1677623"	132.997338	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Na+K"	61.952376
"264146"	472.100368	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+ACN+Na"	64.015768
"1235762"	268.058068	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+ACN+Na"	64.015768
"1723553"	268.081593	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+NH4+HCOOH"	64.039293
"1192190"	91.003318	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+3Na"	68.967654
"1664650"	273.036988	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Na+HCOOH"	68.994688
"171995"	485.00364	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+2K-H"	76.91904
"611435"	689.04594	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+2K-H"	76.91904
"1096677"	280.96134	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2K-H"	76.91904
"153130"	243.005458	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"2M+2K"	77.926316
"582842"	345.026608	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"3M+2K"	77.926316
"1071734"	140.984308	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2K"	77.926316
"1103847"	282.975892	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2K+H"	78.933592
"1340233"	283.063507	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+DMSO+H"	79.021207
"1009858"	287.102676	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2ACN+H"	83.060376
"1527982"	288.096308	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+IsoProp+Na+H"	84.054008
"992243"	144.054976	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+2ACN+2H"	84.067652
"1593307"	289.010928	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+K+HCOOH"	84.968628
"1421155"	319.042438	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+H+CF3COOH"	115.000138
"1158004"	164.568251	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+3ACN+2H"	125.094202
"1711200"	336.068985	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+NH4+CF3COOH"	132.026685
"1648308"	341.02438	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+Na+CF3COOH"	136.98208
"1582133"	356.99832	"C14093"	"12-Dihydroxy-8-carboxynaphthalene;78-Dihydroxy-1-naphthalenecarboxylic acid"	"C11H8O4"	"204.0423"	"M+K+CF3COOH"	152.95602
"809220"	236.0321	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M"	0
"976189"	217.01371	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-H2O-H"	-19.01839
"68809"	156.347457333333	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M-3H"	-3.021828
"509466"	235.024824	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M-3H"	-3.021828
"881072"	77.6700906666667	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-3H"	-3.021828
"4751"	235.024824	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M-2H"	-2.014552
"448686"	353.040874	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M-2H"	-2.014552
"830502"	117.008774	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-2H"	-2.014552
"93045"	471.056924	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M-H"	-1.007276
"530781"	707.089024	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M-H"	-1.007276
"906766"	235.024824	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-H"	-1.007276
"53846"	488.083471	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M-2H+NH4"	16.019271
"497783"	724.115571	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M-2H+NH4"	16.019271
"878502"	252.051371	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-2H+NH4"	16.019271
"44582"	493.038866	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M-2H+Na"	20.974666
"482683"	729.070966	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M-2H+Na"	20.974666
"860852"	257.006766	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-2H+Na"	20.974666
"1626012"	257.006766	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Na-2H"	20.974666
"105827"	253.013163	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M-H+Cl"	33.962126
"547571"	371.029213	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M-H+Cl"	33.962126
"938900"	134.997113	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-H+Cl"	33.962126
"277459"	507.033602	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+Cl"	34.969402
"673161"	743.065702	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+Cl"	34.969402
"1283374"	271.001502	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Cl"	34.969402
"27025"	509.012806	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M-2H+K"	36.948606
"468772"	745.044906	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M-2H+K"	36.948606
"840018"	272.980706	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-2H+K"	36.948606
"1569705"	272.980706	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+K-2H"	36.948606
"955768"	281.030294	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-H+HCOOH"	44.998194
"372888"	517.062401	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+HCOOH-H"	44.998201
"357864"	531.078051	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+Hac-H"	59.013851
"1504875"	295.045951	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Hac-H"	59.013851
"968769"	303.012251	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-H+NaCOOH"	66.980151
"112210"	271.001502	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+2Cl"	69.938804
"553957"	389.017552	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+2Cl"	69.938804
"1021536"	152.985452	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2Cl"	69.938804
"1243429"	314.950985	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Br"	78.918885
"1305876"	317.006972	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Cl+HCOOH"	80.974872
"1324465"	338.988929	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Cl+NaCOOH"	102.956829
"917711"	349.017686	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M-H+CF3COOH"	112.985586
"1292232"	384.994364	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Cl+CF3COOH"	148.962264
"1375864"	201.019424	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H-2H2O"	-35.012676
"1386801"	219.0294	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H-H2O"	-17.0027
"291952"	473.071476	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+H"	1.007276
"685467"	709.103576	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+H"	1.007276
"1365099"	237.039376	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H"	1.007276
"141332"	237.039376	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+2H"	2.014552
"581201"	355.055426	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+2H"	2.014552
"1051092"	119.023326	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2H"	2.014552
"217536"	158.362009333333	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+3H"	3.021828
"657460"	237.039376	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+3H"	3.021828
"1175947"	79.6846426666667	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+3H"	3.021828
"435209"	490.098023	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+NH4"	18.033823
"795113"	726.130123	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+NH4"	18.033823
"1690350"	254.065923	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+NH4"	18.033823
"344100"	245.5526495	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+H+NH4"	19.041099
"737858"	363.5686995	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+H+NH4"	19.041099
"1490341"	127.5365995	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H+NH4"	19.041099
"405739"	495.053418	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+Na"	22.989218
"768566"	731.085518	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+Na"	22.989218
"1616301"	259.021318	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Na"	22.989218
"327064"	248.030347	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+H+Na"	23.996494
"721672"	366.046397	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+H+Na"	23.996494
"1476706"	130.014297	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H+Na"	23.996494
"1065818"	87.0119566666667	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2H+Na"	25.00377
"1269681"	269.065586	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+CH3OH+H"	33.033486
"390805"	511.027358	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+K"	38.963158
"745605"	747.059458	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+K"	38.963158
"1554227"	274.995258	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+K"	38.963158
"311770"	256.017317	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+H+K"	39.970434
"704920"	374.033367	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+H+K"	39.970434
"1458376"	138.001267	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H+K"	39.970434
"247704"	514.098026	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+ACN+H"	42.033826
"1221511"	278.065926	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+ACN+H"	42.033826
"1206850"	139.536601	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+ACN+2H"	43.041102
"199718"	517.03536	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+2Na-H"	44.97116
"640737"	753.06746	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+2Na-H"	44.97116
"1143150"	281.00326	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2Na-H"	44.97116
"185710"	259.021318	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+2Na"	45.978436
"626365"	377.037368	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+2Na"	45.978436
"1128049"	141.005268	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2Na"	45.978436
"1410842"	94.3392706666667	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H+2Na"	46.985712
"1434574"	283.044846	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H+HCOOH"	47.012746
"225000"	264.05434	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+3H2O+2H"	56.04448
"1518532"	297.09689	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+IsoProp+H"	61.06479
"414938"	267.008288	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+Na+K"	61.952376
"775932"	385.024338	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+Na+K"	61.952376
"1677733"	148.992238	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Na+K"	61.952376
"259878"	536.079968	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+ACN+Na"	64.015768
"1236966"	300.047868	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+ACN+Na"	64.015768
"1725852"	300.071393	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+NH4+HCOOH"	64.039293
"1191206"	101.666584666667	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+3Na"	68.967654
"1663665"	305.026788	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Na+HCOOH"	68.994688
"170524"	548.98324	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+2K-H"	76.91904
"611785"	785.01534	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+2K-H"	76.91904
"1097517"	312.95114	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2K-H"	76.91904
"151053"	274.995258	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"2M+2K"	77.926316
"587333"	393.011308	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"3M+2K"	77.926316
"1072937"	156.979208	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2K"	77.926316
"1106146"	314.965692	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2K+H"	78.933592
"1339251"	315.053307	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+DMSO+H"	79.021207
"1008875"	319.092476	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2ACN+H"	83.060376
"1528093"	320.086108	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+IsoProp+Na+H"	84.054008
"992354"	160.049876	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+2ACN+2H"	84.067652
"1592323"	321.000728	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+K+HCOOH"	84.968628
"1422358"	351.032238	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+H+CF3COOH"	115.000138
"1159207"	180.563151	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+3ACN+2H"	125.094202
"1711675"	368.058785	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+NH4+CF3COOH"	132.026685
"1644406"	373.01418	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+Na+CF3COOH"	136.98208
"1582243"	388.98812	"C14094"	"2-Carboxy-2-hydroxy-8-carboxychromene"	"C11H8O6"	"236.0321"	"M+K+CF3COOH"	152.95602
"809330"	236.0321	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M"	0
"978485"	217.01371	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-H2O-H"	-19.01839
"68919"	156.347457333333	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M-3H"	-3.021828
"511763"	235.024824	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M-3H"	-3.021828
"884098"	77.6700906666667	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-3H"	-3.021828
"7047"	235.024824	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M-2H"	-2.014552
"448796"	353.040874	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M-2H"	-2.014552
"829882"	117.008774	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-2H"	-2.014552
"92061"	471.056924	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M-H"	-1.007276
"528339"	707.089024	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M-H"	-1.007276
"908331"	235.024824	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-H"	-1.007276
"58328"	488.083471	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M-2H+NH4"	16.019271
"497893"	724.115571	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M-2H+NH4"	16.019271
"879466"	252.051371	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-2H+NH4"	16.019271
"45909"	493.038866	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M-2H+Na"	20.974666
"484858"	729.070966	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M-2H+Na"	20.974666
"862421"	257.006766	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-2H+Na"	20.974666
"1631589"	257.006766	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Na-2H"	20.974666
"104843"	253.013163	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M-H+Cl"	33.962126
"547317"	371.029213	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M-H+Cl"	33.962126
"941199"	134.997113	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-H+Cl"	33.962126
"281701"	507.033602	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+Cl"	34.969402
"673875"	743.065702	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+Cl"	34.969402
"1282391"	271.001502	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Cl"	34.969402
"24948"	509.012806	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M-2H+K"	36.948606
"465602"	745.044906	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M-2H+K"	36.948606
"846689"	272.980706	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-2H+K"	36.948606
"1570426"	272.980706	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+K-2H"	36.948606
"957335"	281.030294	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-H+HCOOH"	44.998194
"371905"	517.062401	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+HCOOH-H"	44.998201
"357974"	531.078051	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+Hac-H"	59.013851
"1505349"	295.045951	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Hac-H"	59.013851
"968879"	303.012251	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-H+NaCOOH"	66.980151
"115600"	271.001502	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+2Cl"	69.938804
"556254"	389.017552	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+2Cl"	69.938804
"1025052"	152.985452	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2Cl"	69.938804
"1249006"	314.950985	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Br"	78.918885
"1309267"	317.006972	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Cl+HCOOH"	80.974872
"1327856"	338.988929	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Cl+NaCOOH"	102.956829
"920009"	349.017686	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M-H+CF3COOH"	112.985586
"1298903"	384.994364	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Cl+CF3COOH"	148.962264
"1375974"	201.019424	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H-2H2O"	-35.012676
"1392378"	219.0294	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H-H2O"	-17.0027
"292062"	473.071476	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+H"	1.007276
"686671"	709.103576	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+H"	1.007276
"1366304"	237.039376	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H"	1.007276
"140534"	237.039376	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+2H"	2.014552
"574379"	355.055426	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+2H"	2.014552
"1044272"	119.023326	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2H"	2.014552
"215453"	158.362009333333	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+3H"	3.021828
"657202"	237.039376	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+3H"	3.021828
"1174234"	79.6846426666667	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+3H"	3.021828
"429849"	490.098023	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+NH4"	18.033823
"794127"	726.130123	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+NH4"	18.033823
"1691553"	254.065923	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+NH4"	18.033823
"342748"	245.5526495	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+H+NH4"	19.041099
"737600"	363.5686995	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+H+NH4"	19.041099
"1490448"	127.5365995	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H+NH4"	19.041099
"406945"	495.053418	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+Na"	22.989218
"767580"	731.085518	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+Na"	22.989218
"1616772"	259.021318	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Na"	22.989218
"327173"	248.030347	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+H+Na"	23.996494
"721658"	366.046397	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+H+Na"	23.996494
"1474749"	130.014297	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H+Na"	23.996494
"1065563"	87.0119566666667	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2H+Na"	25.00377
"1271491"	269.065586	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+CH3OH+H"	33.033486
"388000"	511.027358	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+K"	38.963158
"748996"	747.059458	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+K"	38.963158
"1554581"	274.995258	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+K"	38.963158
"312972"	256.017317	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+H+K"	39.970434
"705030"	374.033367	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+H+K"	39.970434
"1458485"	138.001267	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H+K"	39.970434
"247085"	514.098026	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+ACN+H"	42.033826
"1223442"	278.065926	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+ACN+H"	42.033826
"1207689"	139.536601	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+ACN+2H"	43.041102
"200193"	517.03536	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+2Na-H"	44.97116
"641940"	753.06746	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+2Na-H"	44.97116
"1143988"	281.00326	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2Na-H"	44.97116
"185090"	259.021318	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+2Na"	45.978436
"627691"	377.037368	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+2Na"	45.978436
"1127793"	141.005268	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2Na"	45.978436
"1410951"	94.3392706666667	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H+2Na"	46.985712
"1435777"	283.044846	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H+HCOOH"	47.012746
"225110"	264.05434	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+3H2O+2H"	56.04448
"1518642"	297.09689	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+IsoProp+H"	61.06479
"415048"	267.008288	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+Na+K"	61.952376
"777135"	385.024338	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+Na+K"	61.952376
"1678936"	148.992238	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Na+K"	61.952376
"258895"	536.079968	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+ACN+Na"	64.015768
"1237072"	300.047868	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+ACN+Na"	64.015768
"1725962"	300.071393	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+NH4+HCOOH"	64.039293
"1192409"	101.666584666667	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+3Na"	68.967654
"1664504"	305.026788	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Na+HCOOH"	68.994688
"171365"	548.98324	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+2K-H"	76.91904
"610559"	785.01534	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+2K-H"	76.91904
"1098719"	312.95114	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2K-H"	76.91904
"155904"	274.995258	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"2M+2K"	77.926316
"594004"	393.011308	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"3M+2K"	77.926316
"1076328"	156.979208	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2K"	77.926316
"1111361"	314.965692	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2K+H"	78.933592
"1339361"	315.053307	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+DMSO+H"	79.021207
"1012265"	319.092476	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2ACN+H"	83.060376
"1528203"	320.086108	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+IsoProp+Na+H"	84.054008
"995744"	160.049876	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+2ACN+2H"	84.067652
"1593528"	321.000728	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+K+HCOOH"	84.968628
"1422468"	351.032238	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+H+CF3COOH"	115.000138
"1158589"	180.563151	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+3ACN+2H"	125.094202
"1709960"	368.058785	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+NH4+CF3COOH"	132.026685
"1644516"	373.01418	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+Na+CF3COOH"	136.98208
"1574698"	388.98812	"C14095"	"2-Hydroxy-3-carboxybenzalpyruvate;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid"	"C11H8O6"	"236.0321"	"M+K+CF3COOH"	152.95602
"809440"	166.0266	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M"	0
"977139"	147.00821	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-H2O-H"	-19.01839
"72309"	109.677124	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M-3H"	-3.021828
"514061"	165.019324	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M-3H"	-3.021828
"890770"	54.334924	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-3H"	-3.021828
"8252"	165.019324	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M-2H"	-2.014552
"454010"	248.032624	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M-2H"	-2.014552
"831084"	82.006024	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-2H"	-2.014552
"92900"	331.045924	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M-H"	-1.007276
"530635"	497.072524	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M-H"	-1.007276
"910141"	165.019324	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-H"	-1.007276
"58074"	348.072471	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M-2H+NH4"	16.019271
"499095"	514.099071	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M-2H+NH4"	16.019271
"877627"	182.045871	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-2H+NH4"	16.019271
"46265"	353.027866	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M-2H+Na"	20.974666
"485089"	519.054466	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M-2H+Na"	20.974666
"860712"	187.001266	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-2H+Na"	20.974666
"1632310"	187.001266	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Na-2H"	20.974666
"104954"	183.007663	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M-H+Cl"	33.962126
"543419"	266.020963	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M-H+Cl"	33.962126
"935838"	99.994363	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-H+Cl"	33.962126
"268930"	367.022602	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+Cl"	34.969402
"664631"	533.049202	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+Cl"	34.969402
"1279222"	200.996002	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Cl"	34.969402
"21778"	369.001806	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M-2H+K"	36.948606
"464618"	535.028406	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M-2H+K"	36.948606
"847286"	202.975206	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-2H+K"	36.948606
"1569199"	202.975206	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+K-2H"	36.948606
"955626"	211.024794	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-H+HCOOH"	44.998194
"373840"	377.051401	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+HCOOH-H"	44.998201
"356629"	391.067051	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+Hac-H"	59.013851
"1502547"	225.040451	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Hac-H"	59.013851
"966803"	233.006751	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-H+NaCOOH"	66.980151
"118991"	200.996002	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+2Cl"	69.938804
"559645"	284.009302	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+2Cl"	69.938804
"1033912"	117.982702	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2Cl"	69.938804
"1246930"	244.945485	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Br"	78.918885
"1312658"	247.001472	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Cl+HCOOH"	80.974872
"1333434"	268.983429	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Cl+NaCOOH"	102.956829
"922307"	279.012186	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M-H+CF3COOH"	112.985586
"1299014"	314.988864	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Cl+CF3COOH"	148.962264
"1377178"	131.013924	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H-2H2O"	-35.012676
"1392488"	149.0239	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H-H2O"	-17.0027
"293267"	333.060476	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+H"	1.007276
"685688"	499.087076	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+H"	1.007276
"1365319"	167.033876	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H"	1.007276
"138941"	167.033876	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+2H"	2.014552
"572303"	250.047176	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+2H"	2.014552
"1049851"	84.020576	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2H"	2.014552
"213377"	111.691676	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+3H"	3.021828
"656949"	167.033876	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+3H"	3.021828
"1175803"	56.349476	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+3H"	3.021828
"429961"	350.087023	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+NH4"	18.033823
"796427"	516.113623	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+NH4"	18.033823
"1692757"	184.060423	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+NH4"	18.033823
"338847"	175.5471495	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+H+NH4"	19.041099
"735280"	258.5604495	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+H+NH4"	19.041099
"1489827"	92.5338495	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H+NH4"	19.041099
"405598"	355.042418	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+Na"	22.989218
"768055"	521.069018	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+Na"	22.989218
"1617245"	189.015818	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Na"	22.989218
"324003"	178.024847	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+H+Na"	23.996494
"721889"	261.038147	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+H+Na"	23.996494
"1472429"	95.011547	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H+Na"	23.996494
"1064581"	63.67679	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2H+Na"	25.00377
"1270264"	199.060086	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+CH3OH+H"	33.033486
"390300"	371.016358	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+K"	38.963158
"745826"	537.042958	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+K"	38.963158
"1552626"	204.989758	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+K"	38.963158
"310530"	186.011817	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+H+K"	39.970434
"704044"	269.025117	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+H+K"	39.970434
"1459688"	102.998517	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H+K"	39.970434
"249019"	374.087026	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+ACN+H"	42.033826
"1223554"	208.060426	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+ACN+H"	42.033826
"1208775"	104.533851	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+ACN+2H"	43.041102
"203466"	377.02436	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+2Na-H"	44.97116
"642051"	543.05096	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+2Na-H"	44.97116
"1145923"	210.99776	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2Na-H"	44.97116
"184838"	189.015818	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+2Na"	45.978436
"624032"	272.029118	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+2Na"	45.978436
"1127536"	106.002518	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2Na"	45.978436
"1411059"	71.004104	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H+2Na"	46.985712
"1437708"	213.039346	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H+HCOOH"	47.012746
"226310"	194.04884	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+3H2O+2H"	56.04448
"1514375"	227.09139	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+H"	61.06479
"416247"	197.002788	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+Na+K"	61.952376
"772868"	280.016088	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+Na+K"	61.952376
"1672483"	113.989488	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Na+K"	61.952376
"259005"	396.068968	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+ACN+Na"	64.015768
"1234995"	230.042368	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+ACN+Na"	64.015768
"1724978"	230.065893	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+NH4+HCOOH"	64.039293
"1191793"	78.331418	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+3Na"	68.967654
"1664733"	235.021288	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Na+HCOOH"	68.994688
"170744"	408.97224	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+2K-H"	76.91904
"608846"	574.99884	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+2K-H"	76.91904
"1099320"	242.94564	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2K-H"	76.91904
"156137"	204.989758	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"2M+2K"	77.926316
"588647"	288.003058	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"3M+2K"	77.926316
"1083612"	121.976458	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2K"	77.926316
"1113783"	244.960192	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2K+H"	78.933592
"1342753"	245.047807	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+DMSO+H"	79.021207
"1011282"	249.086976	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2ACN+H"	83.060376
"1528313"	250.080608	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+Na+H"	84.054008
"992574"	125.047126	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+2ACN+2H"	84.067652
"1592544"	250.995228	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+K+HCOOH"	84.968628
"1422577"	281.026738	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+H+CF3COOH"	115.000138
"1159428"	145.560401	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+3ACN+2H"	125.094202
"1710799"	298.053285	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+NH4+CF3COOH"	132.026685
"1645718"	303.00868	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+Na+CF3COOH"	136.98208
"1575902"	318.98262	"C14096"	"3-Formylsalicylic acid;2-Hydroxyisophthalaldehydic acid"	"C8H6O4"	"166.0266"	"M+K+CF3COOH"	152.95602
"815018"	182.0215	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M"	0
"979801"	163.00311	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-H2O-H"	-19.01839
"72419"	120.340390666667	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M-3H"	-3.021828
"516359"	181.014224	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M-3H"	-3.021828
"891973"	59.6665573333333	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-3H"	-3.021828
"12735"	181.014224	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H"	-2.014552
"454119"	272.024974	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H"	-2.014552
"831193"	90.003474	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-2H"	-2.014552
"93498"	363.035724	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M-H"	-1.007276
"534141"	545.057224	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M-H"	-1.007276
"910495"	181.014224	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-H"	-1.007276
"59641"	380.062271	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H+NH4"	16.019271
"499934"	562.083771	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H+NH4"	16.019271
"878466"	198.040771	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-2H+NH4"	16.019271
"46581"	385.017666	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H+Na"	20.974666
"485929"	567.039166	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H+Na"	20.974666
"860822"	202.996166	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-2H+Na"	20.974666
"1632541"	202.996166	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Na-2H"	20.974666
"106522"	199.002563	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M-H+Cl"	33.962126
"545716"	290.013313	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M-H+Cl"	33.962126
"939228"	107.991813	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-H+Cl"	33.962126
"272320"	399.012402	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+Cl"	34.969402
"668021"	581.033902	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+Cl"	34.969402
"1283706"	216.990902	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl"	34.969402
"21888"	400.991606	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M-2H+K"	36.948606
"468008"	583.013106	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M-2H+K"	36.948606
"843628"	218.970106	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-2H+K"	36.948606
"1567124"	218.970106	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+K-2H"	36.948606
"956829"	227.019694	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-H+HCOOH"	44.998194
"372128"	409.041201	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+HCOOH-H"	44.998201
"357104"	423.056851	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+Hac-H"	59.013851
"1503750"	241.035351	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Hac-H"	59.013851
"964726"	249.001651	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-H+NaCOOH"	66.980151
"119101"	216.990902	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+2Cl"	69.938804
"559755"	308.001652	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+2Cl"	69.938804
"1031836"	125.980152	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2Cl"	69.938804
"1247040"	260.940385	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Br"	78.918885
"1312768"	262.996372	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl+HCOOH"	80.974872
"1332452"	284.978329	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl+NaCOOH"	102.956829
"923876"	295.007086	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M-H+CF3COOH"	112.985586
"1298030"	330.983764	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Cl+CF3COOH"	148.962264
"1379474"	147.008824	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H-2H2O"	-35.012676
"1393692"	165.0188	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H-H2O"	-17.0027
"293378"	365.050276	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+H"	1.007276
"687984"	547.071776	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+H"	1.007276
"1363242"	183.028776	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H"	1.007276
"140144"	183.028776	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+2H"	2.014552
"573506"	274.039526	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+2H"	2.014552
"1046679"	92.018026	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2H"	2.014552
"211665"	122.354942666667	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+3H"	3.021828
"657787"	183.028776	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+3H"	3.021828
"1174454"	61.6811093333333	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+3H"	3.021828
"437364"	382.076823	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+NH4"	18.033823
"796534"	564.098323	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+NH4"	18.033823
"1692502"	200.055323	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+NH4"	18.033823
"338957"	191.5420495	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+H+NH4"	19.041099
"734295"	282.5527995	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+H+NH4"	19.041099
"1489207"	100.5312995	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H+NH4"	19.041099
"403877"	387.032218	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+Na"	22.989218
"768164"	569.053718	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+Na"	22.989218
"1616990"	205.010718	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Na"	22.989218
"326300"	194.019747	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+H+Na"	23.996494
"720905"	285.030497	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+H+Na"	23.996494
"1472539"	103.008997	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H+Na"	23.996494
"1066148"	69.0084233333333	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2H+Na"	25.00377
"1270010"	215.054986	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+CH3OH+H"	33.033486
"386034"	403.006158	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+K"	38.963158
"745936"	585.027658	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+K"	38.963158
"1549091"	220.984658	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+K"	38.963158
"311734"	202.006717	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+H+K"	39.970434
"704520"	293.017467	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+H+K"	39.970434
"1459799"	110.995967	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H+K"	39.970434
"249127"	406.076826	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+ACN+H"	42.033826
"1224269"	224.055326	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+ACN+H"	42.033826
"1209127"	112.531301	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+ACN+2H"	43.041102
"203943"	409.01416	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+2Na-H"	44.97116
"641433"	591.03566	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+2Na-H"	44.97116
"1146035"	226.99266	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2Na-H"	44.97116
"186041"	205.010718	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+2Na"	45.978436
"625600"	296.021468	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+2Na"	45.978436
"1128374"	113.999968	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2Na"	45.978436
"1409712"	76.3357373333333	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H+2Na"	46.985712
"1437818"	229.034246	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H+HCOOH"	47.012746
"225691"	210.04374	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+3H2O+2H"	56.04448
"1515579"	243.08629	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+IsoProp+H"	61.06479
"415264"	212.997688	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+Na+K"	61.952376
"773343"	304.008438	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+Na+K"	61.952376
"1672593"	121.986938	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Na+K"	61.952376
"260208"	428.058768	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+ACN+Na"	64.015768
"1235105"	246.037268	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+ACN+Na"	64.015768
"1725817"	246.060793	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+NH4+HCOOH"	64.039293
"1192997"	83.6630513333333	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+3Na"	68.967654
"1663261"	251.016188	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Na+HCOOH"	68.994688
"170488"	440.96204	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+2K-H"	76.91904
"609682"	622.98354	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+2K-H"	76.91904
"1099755"	258.94054	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2K-H"	76.91904
"155636"	220.984658	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"2M+2K"	77.926316
"595322"	311.995408	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"3M+2K"	77.926316
"1082385"	129.973908	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2K"	77.926316
"1115111"	260.955092	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2K+H"	78.933592
"1342863"	261.042707	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+DMSO+H"	79.021207
"1010299"	265.081876	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2ACN+H"	83.060376
"1531703"	266.075508	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+IsoProp+Na+H"	84.054008
"993777"	133.044576	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+2ACN+2H"	84.067652
"1590468"	266.990128	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+K+HCOOH"	84.968628
"1419408"	297.021638	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+H+CF3COOH"	115.000138
"1156257"	153.557851	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+3ACN+2H"	125.094202
"1710911"	314.048185	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+NH4+CF3COOH"	132.026685
"1646923"	319.00358	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+Na+CF3COOH"	136.98208
"1579292"	334.97752	"C14097"	"2-Hydroxyisophthalic acid;2-Hydroxy-13-benzenedicarboxylic acid"	"C8H6O5"	"182.0215"	"M+K+CF3COOH"	152.95602
"809660"	142.0783	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M"	0
"974556"	123.05991	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H2O-H"	-19.01839
"72529"	93.7115906666667	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-3H"	-3.021828
"516469"	141.071024	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-3H"	-3.021828
"890990"	46.3521573333333	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-3H"	-3.021828
"13939"	141.071024	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H"	-2.014552
"454229"	212.110174	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H"	-2.014552
"831668"	70.031874	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H"	-2.014552
"93974"	283.149324	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-H"	-1.007276
"534230"	425.227624	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-H"	-1.007276
"910972"	141.071024	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H"	-1.007276
"62829"	300.175871	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H+NH4"	16.019271
"500408"	442.254171	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H+NH4"	16.019271
"877362"	158.097571	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H+NH4"	16.019271
"47108"	305.131266	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H+Na"	20.974666
"485432"	447.209566	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H+Na"	20.974666
"861660"	163.052966	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H+Na"	20.974666
"1630828"	163.052966	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na-2H"	20.974666
"108089"	159.059363	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-H+Cl"	33.962126
"545826"	230.098513	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-H+Cl"	33.962126
"939338"	88.020213	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+Cl"	33.962126
"274617"	319.126002	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Cl"	34.969402
"670318"	461.204302	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+Cl"	34.969402
"1283816"	177.047702	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl"	34.969402
"27465"	321.105206	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M-2H+K"	36.948606
"467025"	463.183506	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M-2H+K"	36.948606
"847018"	179.026906	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-2H+K"	36.948606
"1567963"	179.026906	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K-2H"	36.948606
"956574"	187.076494	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+HCOOH"	44.998194
"372238"	329.154801	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+HCOOH-H"	44.998201
"358307"	343.170451	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Hac-H"	59.013851
"1504953"	201.092151	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Hac-H"	59.013851
"964836"	209.058451	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+NaCOOH"	66.980151
"119211"	177.047702	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2Cl"	69.938804
"559865"	248.086852	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2Cl"	69.938804
"1031946"	106.008552	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2Cl"	69.938804
"1247150"	220.997185	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Br"	78.918885
"1312878"	223.053172	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl+HCOOH"	80.974872
"1334384"	245.035129	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl+NaCOOH"	102.956829
"919246"	255.063886	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M-H+CF3COOH"	112.985586
"1299234"	291.040564	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Cl+CF3COOH"	148.962264
"1379584"	107.065624	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H-2H2O"	-35.012676
"1393802"	125.0756	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H-H2O"	-17.0027
"294581"	285.163876	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H"	1.007276
"688094"	427.242176	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H"	1.007276
"1364446"	143.085576	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H"	1.007276
"139889"	143.085576	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2H"	2.014552
"575803"	214.124726	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2H"	2.014552
"1046789"	72.046426	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2H"	2.014552
"213598"	95.7261426666667	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+3H"	3.021828
"658263"	143.085576	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+3H"	3.021828
"1172378"	48.3667093333333	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+3H"	3.021828
"437474"	302.190423	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+NH4"	18.033823
"795551"	444.268723	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+NH4"	18.033823
"1690789"	160.112123	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+NH4"	18.033823
"340160"	151.5988495	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H+NH4"	19.041099
"734040"	222.6379995	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H+NH4"	19.041099
"1488588"	80.5596995	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+NH4"	19.041099
"403987"	307.145818	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Na"	22.989218
"766078"	449.224118	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+Na"	22.989218
"1615278"	165.067518	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na"	22.989218
"326410"	154.076547	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H+Na"	23.996494
"718829"	225.115697	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H+Na"	23.996494
"1472648"	83.037397	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+Na"	23.996494
"1066987"	55.6940233333333	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2H+Na"	25.00377
"1270484"	175.111786	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+CH3OH+H"	33.033486
"386144"	323.119758	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+K"	38.963158
"746046"	465.198058	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+K"	38.963158
"1545921"	181.041458	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K"	38.963158
"311480"	162.063517	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+H+K"	39.970434
"704994"	233.102667	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+H+K"	39.970434
"1459177"	91.024367	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+K"	39.970434
"249603"	326.190426	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+ACN+H"	42.033826
"1224501"	184.112126	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+ACN+H"	42.033826
"1209850"	92.559701	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+ACN+2H"	43.041102
"203972"	329.12776	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2Na-H"	44.97116
"640813"	471.20606	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2Na-H"	44.97116
"1144685"	187.04946	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2Na-H"	44.97116
"184328"	165.067518	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2Na"	45.978436
"623157"	236.106668	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2Na"	45.978436
"1123747"	94.028368	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2Na"	45.978436
"1407999"	63.0213373333333	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+2Na"	46.985712
"1435742"	189.091046	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+HCOOH"	47.012746
"225437"	170.10054	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+3H2O+2H"	56.04448
"1514595"	203.14309	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+IsoProp+H"	61.06479
"413187"	173.054488	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+Na+K"	61.952376
"774544"	244.093638	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+Na+K"	61.952376
"1672703"	102.015338	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na+K"	61.952376
"257038"	348.172368	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+ACN+Na"	64.015768
"1233028"	206.094068	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+ACN+Na"	64.015768
"1727020"	206.117593	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+NH4+HCOOH"	64.039293
"1192743"	70.3486513333333	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+3Na"	68.967654
"1663732"	211.072988	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na+HCOOH"	68.994688
"169136"	361.07564	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2K-H"	76.91904
"607604"	503.15394	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2K-H"	76.91904
"1099175"	218.99734	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2K-H"	76.91904
"156475"	181.041458	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"2M+2K"	77.926316
"596161"	252.080608	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"3M+2K"	77.926316
"1082854"	110.002308	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2K"	77.926316
"1112056"	221.011892	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2K+H"	78.933592
"1341880"	221.099507	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+DMSO+H"	79.021207
"1010409"	225.138676	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2ACN+H"	83.060376
"1529627"	226.132308	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+IsoProp+Na+H"	84.054008
"993887"	113.072976	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+2ACN+2H"	84.067652
"1591672"	227.046928	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K+HCOOH"	84.968628
"1420613"	257.078438	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+H+CF3COOH"	115.000138
"1158555"	133.586251	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+3ACN+2H"	125.094202
"1710291"	274.104985	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+NH4+CF3COOH"	132.026685
"1645940"	279.06038	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+Na+CF3COOH"	136.98208
"1579402"	295.03432	"C14098"	"2-Methylnaphthalene;beta-Methylnaphthalene"	"C11H10"	"142.0783"	"M+K+CF3COOH"	152.95602
"808677"	156.0575	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M"	0
"975645"	137.03911	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-H2O-H"	-19.01839
"72639"	103.031057333333	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M-3H"	-3.021828
"518039"	155.050224	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M-3H"	-3.021828
"887820"	51.0118906666667	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-3H"	-3.021828
"14540"	155.050224	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M-2H"	-2.014552
"453975"	233.078974	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M-2H"	-2.014552
"832352"	77.021474	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-2H"	-2.014552
"93802"	311.107724	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M-H"	-1.007276
"534014"	467.165224	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M-H"	-1.007276
"909744"	155.050224	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-H"	-1.007276
"62461"	328.134271	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M-2H+NH4"	16.019271
"499304"	484.191771	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M-2H+NH4"	16.019271
"875041"	172.076771	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-2H+NH4"	16.019271
"46108"	333.089666	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M-2H+Na"	20.974666
"486517"	489.147166	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M-2H+Na"	20.974666
"861405"	177.032166	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-2H+Na"	20.974666
"1630574"	177.032166	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Na-2H"	20.974666
"106377"	173.038563	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M-H+Cl"	33.962126
"542656"	251.067313	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M-H+Cl"	33.962126
"938355"	95.009813	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-H+Cl"	33.962126
"276914"	347.084402	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+Cl"	34.969402
"673708"	503.141902	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+Cl"	34.969402
"1285020"	191.026902	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Cl"	34.969402
"24295"	349.063606	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M-2H+K"	36.948606
"468228"	505.121106	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M-2H+K"	36.948606
"846764"	193.006106	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-2H+K"	36.948606
"1568073"	193.006106	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+K-2H"	36.948606
"955226"	201.055694	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-H+HCOOH"	44.998194
"371981"	357.113201	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+HCOOH-H"	44.998201
"356227"	371.128851	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+Hac-H"	59.013851
"1499592"	215.071351	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Hac-H"	59.013851
"971871"	223.037651	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-H+NaCOOH"	66.980151
"119321"	191.026902	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+2Cl"	69.938804
"561069"	269.055652	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+2Cl"	69.938804
"1027680"	112.998152	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2Cl"	69.938804
"1246165"	234.976385	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Br"	78.918885
"1317360"	237.032372	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Cl+HCOOH"	80.974872
"1332669"	259.014329	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Cl+NaCOOH"	102.956829
"924460"	269.043086	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M-H+CF3COOH"	112.985586
"1298252"	305.019764	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Cl+CF3COOH"	148.962264
"1379694"	121.044824	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H-2H2O"	-35.012676
"1393912"	139.0548	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H-H2O"	-17.0027
"296877"	313.122276	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+H"	1.007276
"687110"	469.179776	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+H"	1.007276
"1363463"	157.064776	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H"	1.007276
"137083"	157.064776	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+2H"	2.014552
"575913"	235.093526	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+2H"	2.014552
"1044712"	79.036026	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2H"	2.014552
"212612"	105.045609333333	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+3H"	3.021828
"655455"	157.064776	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+3H"	3.021828
"1171394"	53.0264426666667	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+3H"	3.021828
"435760"	330.148823	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+NH4"	18.033823
"794566"	486.206323	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+NH4"	18.033823
"1689074"	174.091323	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+NH4"	18.033823
"340270"	165.5780495	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+H+NH4"	19.041099
"734878"	243.6067995	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+H+NH4"	19.041099
"1488697"	87.5492995	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H+NH4"	19.041099
"401909"	335.104218	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+Na"	22.989218
"763999"	491.161718	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+Na"	22.989218
"1615017"	179.046718	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Na"	22.989218
"325063"	168.055747	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+H+Na"	23.996494
"715660"	246.084497	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+H+Na"	23.996494
"1473851"	90.026997	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H+Na"	23.996494
"1065880"	60.3537566666667	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2H+Na"	25.00377
"1267678"	189.090986	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+CH3OH+H"	33.033486
"389534"	351.078158	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+K"	38.963158
"748343"	507.135658	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+K"	38.963158
"1546031"	195.020658	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+K"	38.963158
"310861"	176.042717	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+H+K"	39.970434
"703647"	254.071467	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+H+K"	39.970434
"1459166"	98.013967	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H+K"	39.970434
"249594"	354.148826	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+ACN+H"	42.033826
"1223882"	198.091326	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+ACN+H"	42.033826
"1209103"	99.549301	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+ACN+2H"	43.041102
"202825"	357.08616	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+2Na-H"	44.97116
"640556"	513.14366	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+2Na-H"	44.97116
"1142971"	201.02866	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2Na-H"	44.97116
"182616"	179.046718	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+2Na"	45.978436
"625091"	257.075468	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+2Na"	45.978436
"1127867"	101.017968	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2Na"	45.978436
"1408110"	67.6810706666667	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H+2Na"	46.985712
"1438040"	203.070246	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H+HCOOH"	47.012746
"229921"	184.07974	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+3H2O+2H"	56.04448
"1515069"	217.12229	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+IsoProp+H"	61.06479
"415484"	187.033688	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+Na+K"	61.952376
"775385"	265.062438	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+Na+K"	61.952376
"1669533"	109.004938	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Na+K"	61.952376
"258241"	376.130768	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+ACN+Na"	64.015768
"1235324"	220.073268	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+ACN+Na"	64.015768
"1724948"	220.096793	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+NH4+HCOOH"	64.039293
"1192490"	75.0083846666667	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+3Na"	68.967654
"1662383"	225.052188	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Na+HCOOH"	68.994688
"171430"	389.03404	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+2K-H"	76.91904
"609534"	545.09154	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+2K-H"	76.91904
"1098430"	232.97654	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2K-H"	76.91904
"155975"	195.020658	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"2M+2K"	77.926316
"595785"	273.049408	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"3M+2K"	77.926316
"1081141"	116.991908	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2K"	77.926316
"1112167"	234.991092	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2K+H"	78.933592
"1340896"	235.078707	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+DMSO+H"	79.021207
"1010519"	239.117876	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2ACN+H"	83.060376
"1527550"	240.111508	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+IsoProp+Na+H"	84.054008
"993997"	120.062576	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+2ACN+2H"	84.067652
"1589596"	241.026128	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+K+HCOOH"	84.968628
"1418537"	271.057638	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+H+CF3COOH"	115.000138
"1158665"	140.575851	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+3ACN+2H"	125.094202
"1708216"	288.084185	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+NH4+CF3COOH"	132.026685
"1647143"	293.03958	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+Na+CF3COOH"	136.98208
"1576232"	309.01352	"C14099"	"2-Naphthaldehyde;2-Naphthalenecarboxaldehyde"	"C11H8O"	"156.0575"	"M+K+CF3COOH"	152.95602
"809880"	166.0266	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M"	0
"974661"	147.00821	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-H2O-H"	-19.01839
"72749"	109.677124	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M-3H"	-3.021828
"515595"	165.019324	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M-3H"	-3.021828
"887930"	54.334924	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-3H"	-3.021828
"15018"	165.019324	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M-2H"	-2.014552
"454692"	248.032624	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M-2H"	-2.014552
"831530"	82.006024	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-2H"	-2.014552
"93221"	331.045924	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M-H"	-1.007276
"533394"	497.072524	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M-H"	-1.007276
"910707"	165.019324	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-H"	-1.007276
"60946"	348.072471	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M-2H+NH4"	16.019271
"490787"	514.099071	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M-2H+NH4"	16.019271
"871870"	182.045871	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-2H+NH4"	16.019271
"43052"	353.027866	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M-2H+Na"	20.974666
"486421"	519.054466	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M-2H+Na"	20.974666
"861514"	187.001266	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-2H+Na"	20.974666
"1629591"	187.001266	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Na-2H"	20.974666
"103207"	183.007663	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M-H+Cl"	33.962126
"539486"	266.020963	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M-H+Cl"	33.962126
"932998"	99.994363	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-H+Cl"	33.962126
"272651"	367.022602	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+Cl"	34.969402
"667258"	533.049202	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+Cl"	34.969402
"1281850"	200.996002	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Cl"	34.969402
"26592"	369.001806	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M-2H+K"	36.948606
"468338"	535.028406	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M-2H+K"	36.948606
"847238"	202.975206	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-2H+K"	36.948606
"1568182"	202.975206	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+K-2H"	36.948606
"955333"	211.024794	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-H+HCOOH"	44.998194
"372455"	377.051401	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+HCOOH-H"	44.998201
"355244"	391.067051	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+Hac-H"	59.013851
"1499702"	225.040451	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Hac-H"	59.013851
"969429"	233.006751	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-H+NaCOOH"	66.980151
"118338"	200.996002	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+2Cl"	69.938804
"562272"	284.009302	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+2Cl"	69.938804
"1026697"	117.982702	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2Cl"	69.938804
"1248462"	244.945485	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Br"	78.918885
"1315283"	247.001472	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Cl+HCOOH"	80.974872
"1331686"	268.983429	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Cl+NaCOOH"	102.956829
"921654"	279.012186	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M-H+CF3COOH"	112.985586
"1299455"	314.988864	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Cl+CF3COOH"	148.962264
"1380897"	131.013924	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H-2H2O"	-35.012676
"1394022"	149.0239	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H-H2O"	-17.0027
"296988"	333.060476	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+H"	1.007276
"686127"	499.087076	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+H"	1.007276
"1362480"	167.033876	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H"	1.007276
"140231"	167.033876	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+2H"	2.014552
"574929"	250.047176	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+2H"	2.014552
"1045915"	84.020576	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2H"	2.014552
"213815"	111.691676	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+3H"	3.021828
"656658"	167.033876	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+3H"	3.021828
"1172598"	56.349476	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+3H"	3.021828
"436963"	350.087023	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+NH4"	18.033823
"794676"	516.113623	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+NH4"	18.033823
"1688820"	184.060423	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+NH4"	18.033823
"338193"	175.5471495	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+H+NH4"	19.041099
"732800"	258.5604495	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+H+NH4"	19.041099
"1487714"	92.5338495	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H+NH4"	19.041099
"402019"	355.042418	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+Na"	22.989218
"765202"	521.069018	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+Na"	22.989218
"1616463"	189.015818	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Na"	22.989218
"323351"	178.024847	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+H+Na"	23.996494
"718686"	261.038147	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+H+Na"	23.996494
"1475784"	95.011547	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H+Na"	23.996494
"1065018"	63.67679	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2H+Na"	25.00377
"1271068"	199.060086	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+CH3OH+H"	33.033486
"389644"	371.016358	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+K"	38.963158
"748453"	537.042958	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+K"	38.963158
"1547235"	204.989758	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+K"	38.963158
"311701"	186.011817	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+H+K"	39.970434
"704486"	269.025117	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+H+K"	39.970434
"1459763"	102.998517	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H+K"	39.970434
"249461"	374.087026	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+ACN+H"	42.033826
"1223505"	208.060426	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+ACN+H"	42.033826
"1209213"	104.533851	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+ACN+2H"	43.041102
"203664"	377.02436	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+2Na-H"	44.97116
"641763"	543.05096	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+2Na-H"	44.97116
"1142717"	210.99776	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2Na-H"	44.97116
"185157"	189.015818	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+2Na"	45.978436
"625567"	272.029118	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+2Na"	45.978436
"1128708"	106.002518	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2Na"	45.978436
"1409315"	71.004104	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H+2Na"	46.985712
"1439973"	213.039346	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H+HCOOH"	47.012746
"227844"	194.04884	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+3H2O+2H"	56.04448
"1514816"	227.09139	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+H"	61.06479
"415595"	197.002788	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+Na+K"	61.952376
"777682"	280.016088	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+Na+K"	61.952376
"1667454"	113.989488	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Na+K"	61.952376
"257256"	396.068968	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+ACN+Na"	64.015768
"1236527"	230.042368	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+ACN+Na"	64.015768
"1726149"	230.065893	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+NH4+HCOOH"	64.039293
"1192235"	78.331418	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+3Na"	68.967654
"1663949"	235.021288	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Na+HCOOH"	68.994688
"171540"	408.97224	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+2K-H"	76.91904
"610371"	574.99884	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+2K-H"	76.91904
"1097806"	242.94564	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2K-H"	76.91904
"156329"	204.989758	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"2M+2K"	77.926316
"593090"	288.003058	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"3M+2K"	77.926316
"1081251"	121.976458	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2K"	77.926316
"1112276"	244.960192	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2K+H"	78.933592
"1343193"	245.047807	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+DMSO+H"	79.021207
"1011721"	249.086976	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2ACN+H"	83.060376
"1526566"	250.080608	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+IsoProp+Na+H"	84.054008
"993014"	125.047126	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+2ACN+2H"	84.067652
"1591164"	250.995228	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+K+HCOOH"	84.968628
"1418647"	281.026738	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+H+CF3COOH"	115.000138
"1157682"	145.560401	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+3ACN+2H"	125.094202
"1707233"	298.053285	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+NH4+CF3COOH"	132.026685
"1647254"	303.00868	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+Na+CF3COOH"	136.98208
"1576342"	318.98262	"C14100"	"4-Formylsalicylic acid;4-Formyl-2-hydroxybenzoic acid"	"C8H6O4"	"166.0266"	"M+K+CF3COOH"	152.95602
"809990"	172.0524	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M"	0
"975258"	153.03401	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H2O-H"	-19.01839
"72859"	113.694324	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-3H"	-3.021828
"518017"	171.045124	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-3H"	-3.021828
"894237"	56.343524	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-3H"	-3.021828
"15369"	171.045124	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H"	-2.014552
"454197"	257.071324	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H"	-2.014552
"832003"	85.018924	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H"	-2.014552
"93574"	343.097524	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-H"	-1.007276
"533987"	515.149924	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-H"	-1.007276
"910895"	171.045124	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H"	-1.007276
"61057"	360.124071	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H+NH4"	16.019271
"497457"	532.176471	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H+NH4"	16.019271
"868700"	188.071671	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H+NH4"	16.019271
"37694"	365.079466	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H+Na"	20.974666
"483816"	537.131866	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H+Na"	20.974666
"861988"	193.027066	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H+Na"	20.974666
"1632255"	193.027066	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na-2H"	20.974666
"107694"	189.033463	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-H+Cl"	33.962126
"543970"	275.059663	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-H+Cl"	33.962126
"936388"	103.007263	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+Cl"	33.962126
"276042"	379.074202	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Cl"	34.969402
"671743"	551.126602	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+Cl"	34.969402
"1285970"	207.021802	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl"	34.969402
"29256"	381.053406	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M-2H+K"	36.948606
"467356"	553.105806	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M-2H+K"	36.948606
"847350"	209.001006	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-2H+K"	36.948606
"1566471"	209.001006	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K-2H"	36.948606
"953260"	217.050594	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+HCOOH"	44.998194
"369286"	389.103001	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+HCOOH-H"	44.998201
"354262"	403.118651	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Hac-H"	59.013851
"1501999"	231.066251	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Hac-H"	59.013851
"972455"	239.032551	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+NaCOOH"	66.980151
"122822"	207.021802	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2Cl"	69.938804
"561289"	293.048002	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2Cl"	69.938804
"1032274"	120.995602	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2Cl"	69.938804
"1252946"	250.971285	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Br"	78.918885
"1317216"	253.027272	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl+HCOOH"	80.974872
"1331796"	275.009229	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl+NaCOOH"	102.956829
"919577"	285.037986	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M-H+CF3COOH"	112.985586
"1297378"	321.014664	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Cl+CF3COOH"	148.962264
"1377363"	137.039724	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H-2H2O"	-35.012676
"1390851"	155.0497	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H-H2O"	-17.0027
"296005"	345.112076	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H"	1.007276
"688424"	517.164476	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H"	1.007276
"1363683"	173.059676	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H"	1.007276
"138396"	173.059676	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2H"	2.014552
"575039"	259.085876	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2H"	2.014552
"1046026"	87.033476	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2H"	2.014552
"210644"	115.708876	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+3H"	3.021828
"651664"	173.059676	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+3H"	3.021828
"1172707"	58.358076	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+3H"	3.021828
"433791"	362.138623	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+NH4"	18.033823
"794786"	534.191023	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+NH4"	18.033823
"1692210"	190.086223	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+NH4"	18.033823
"338303"	181.5729495	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H+NH4"	19.041099
"731817"	267.5991495	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H+NH4"	19.041099
"1487824"	95.5467495	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+NH4"	19.041099
"401036"	367.094018	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Na"	22.989218
"760936"	539.146418	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+Na"	22.989218
"1614507"	195.041618	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na"	22.989218
"326378"	184.050647	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H+Na"	23.996494
"719161"	270.076847	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H+Na"	23.996494
"1476259"	98.024447	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+Na"	23.996494
"1067802"	65.68539	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2H+Na"	25.00377
"1272355"	205.085886	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+CH3OH+H"	33.033486
"389754"	383.067958	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+K"	38.963158
"747469"	555.120358	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+K"	38.963158
"1544065"	211.015558	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K"	38.963158
"311811"	192.037617	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+H+K"	39.970434
"706419"	278.063817	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+H+K"	39.970434
"1457322"	106.011417	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+K"	39.970434
"249571"	386.138626	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+ACN+H"	42.033826
"1223007"	214.086226	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+ACN+H"	42.033826
"1207742"	107.546751	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+ACN+2H"	43.041102
"201949"	389.07596	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2Na-H"	44.97116
"641871"	561.12836	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2Na-H"	44.97116
"1144650"	217.02356	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2Na-H"	44.97116
"182836"	195.041618	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2Na"	45.978436
"622395"	281.067818	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2Na"	45.978436
"1124807"	109.015418	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2Na"	45.978436
"1406143"	73.012704	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+2Na"	46.985712
"1436072"	219.065146	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+HCOOH"	47.012746
"226861"	200.07464	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+3H2O+2H"	56.04448
"1514926"	233.11719	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+IsoProp+H"	61.06479
"415705"	203.028588	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+Na+K"	61.952376
"779979"	289.054788	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+Na+K"	61.952376
"1665862"	117.002388	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na+K"	61.952376
"257366"	408.120568	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+ACN+Na"	64.015768
"1236637"	236.068168	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+ACN+Na"	64.015768
"1726259"	236.091693	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+NH4+HCOOH"	64.039293
"1193074"	80.340018	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+3Na"	68.967654
"1663331"	241.047088	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na+HCOOH"	68.994688
"170928"	421.02384	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2K-H"	76.91904
"610117"	593.07624	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2K-H"	76.91904
"1096823"	248.97144	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2K-H"	76.91904
"151815"	211.015558	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"2M+2K"	77.926316
"592103"	297.041758	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"3M+2K"	77.926316
"1080265"	124.989358	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2K"	77.926316
"1111293"	250.985992	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2K+H"	78.933592
"1344396"	251.073607	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+DMSO+H"	79.021207
"1010738"	255.112776	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2ACN+H"	83.060376
"1528863"	256.106408	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+IsoProp+Na+H"	84.054008
"993123"	128.060026	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+2ACN+2H"	84.067652
"1593095"	257.021028	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K+HCOOH"	84.968628
"1417663"	287.052538	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+H+CF3COOH"	115.000138
"1157792"	148.573301	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+3ACN+2H"	125.094202
"1709530"	304.079085	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+NH4+CF3COOH"	132.026685
"1649550"	309.03448	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+Na+CF3COOH"	136.98208
"1577545"	325.00842	"C14101"	"2-Naphthoic acid;2-Naphthalenecarboxylic acid;beta-Naphthoic acid"	"C11H8O2"	"172.0524"	"M+K+CF3COOH"	152.95602
"801955"	176.0837	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M"	0
"974882"	157.06531	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H2O-H"	-19.01839
"71876"	116.381857333333	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-3H"	-3.021828
"518208"	175.076424	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-3H"	-3.021828
"894711"	57.6872906666667	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-3H"	-3.021828
"15444"	175.076424	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H"	-2.014552
"454794"	263.118274	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H"	-2.014552
"831506"	87.034574	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H"	-2.014552
"92591"	351.160124	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-H"	-1.007276
"533936"	527.243824	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-H"	-1.007276
"910319"	175.076424	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H"	-1.007276
"62465"	368.186671	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H+NH4"	16.019271
"499754"	544.270371	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H+NH4"	16.019271
"868810"	192.102971	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H+NH4"	16.019271
"39991"	373.142066	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H+Na"	20.974666
"482833"	549.225766	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H+Na"	20.974666
"860637"	197.058366	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H+Na"	20.974666
"1631272"	197.058366	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na-2H"	20.974666
"106707"	193.064763	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-H+Cl"	33.962126
"548455"	281.106613	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-H+Cl"	33.962126
"935404"	105.022913	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+Cl"	33.962126
"276152"	387.136802	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Cl"	34.969402
"672945"	563.220502	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+Cl"	34.969402
"1287174"	211.053102	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl"	34.969402
"30947"	389.116006	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M-2H+K"	36.948606
"468559"	565.199706	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M-2H+K"	36.948606
"847460"	213.032306	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-2H+K"	36.948606
"1565488"	213.032306	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K-2H"	36.948606
"954462"	221.081894	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+HCOOH"	44.998194
"373041"	397.165601	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+HCOOH-H"	44.998201
"357652"	411.181251	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Hac-H"	59.013851
"1504296"	235.097551	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Hac-H"	59.013851
"969650"	243.063851	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+NaCOOH"	66.980151
"121839"	211.053102	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2Cl"	69.938804
"564315"	299.094952	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2Cl"	69.938804
"1032384"	123.011252	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2Cl"	69.938804
"1254149"	255.002585	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Br"	78.918885
"1315503"	257.058572	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl+HCOOH"	80.974872
"1328626"	279.040529	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl+NaCOOH"	102.956829
"924060"	289.069286	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M-H+CF3COOH"	112.985586
"1296395"	325.045964	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Cl+CF3COOH"	148.962264
"1379660"	141.071024	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H-2H2O"	-35.012676
"1393148"	159.081	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H-H2O"	-17.0027
"295750"	353.174676	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H"	1.007276
"687441"	529.258376	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H"	1.007276
"1363793"	177.090976	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H"	1.007276
"135590"	177.090976	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2H"	2.014552
"574056"	265.132826	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2H"	2.014552
"1046136"	89.049126	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2H"	2.014552
"211119"	118.396409333333	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+3H"	3.021828
"653232"	177.090976	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+3H"	3.021828
"1172817"	59.7018426666667	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+3H"	3.021828
"432445"	370.201223	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+NH4"	18.033823
"794169"	546.284923	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+NH4"	18.033823
"1692320"	194.117523	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+NH4"	18.033823
"338416"	185.6042495	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H+NH4"	19.041099
"729743"	273.6460995	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H+NH4"	19.041099
"1484655"	97.5623995	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+NH4"	19.041099
"398959"	375.156618	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Na"	22.989218
"761046"	551.240318	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+Na"	22.989218
"1611338"	199.072918	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na"	22.989218
"325760"	188.081947	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H+Na"	23.996494
"718180"	276.123797	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H+Na"	23.996494
"1473091"	100.040097	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+Na"	23.996494
"1064147"	67.0291566666667	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2H+Na"	25.00377
"1269104"	209.117186	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+CH3OH+H"	33.033486
"389866"	391.130558	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+K"	38.963158
"747579"	567.214258	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+K"	38.963158
"1550735"	215.046858	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K"	38.963158
"311921"	196.068917	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+H+K"	39.970434
"703613"	284.110767	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+H+K"	39.970434
"1458526"	108.027067	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+K"	39.970434
"250045"	394.201226	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+ACN+H"	42.033826
"1219837"	218.117526	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+ACN+H"	42.033826
"1208459"	109.562401	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+ACN+2H"	43.041102
"200235"	397.13856	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2Na-H"	44.97116
"640523"	573.22226	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2Na-H"	44.97116
"1144760"	221.05486	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2Na-H"	44.97116
"182946"	199.072918	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2Na"	45.978436
"619225"	287.114768	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2Na"	45.978436
"1120543"	111.031068	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2Na"	45.978436
"1402973"	74.3564706666667	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+2Na"	46.985712
"1433996"	223.096446	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+HCOOH"	47.012746
"221868"	204.10594	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+3H2O+2H"	56.04448
"1515036"	237.14849	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+IsoProp+H"	61.06479
"415815"	207.059888	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+Na+K"	61.952376
"775716"	295.101738	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+Na+K"	61.952376
"1667915"	119.018038	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na+K"	61.952376
"255290"	416.183168	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+ACN+Na"	64.015768
"1236747"	240.099468	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+ACN+Na"	64.015768
"1727098"	240.122993	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+NH4+HCOOH"	64.039293
"1192454"	81.6837846666667	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+3Na"	68.967654
"1663441"	245.078388	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na+HCOOH"	68.994688
"171035"	429.08644	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2K-H"	76.91904
"609498"	605.17014	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2K-H"	76.91904
"1095840"	253.00274	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2K-H"	76.91904
"150832"	215.046858	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"2M+2K"	77.926316
"591484"	303.088708	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"3M+2K"	77.926316
"1080375"	127.005008	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2K"	77.926316
"1114688"	255.017292	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2K+H"	78.933592
"1344506"	255.104907	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+DMSO+H"	79.021207
"1009754"	259.144076	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2ACN+H"	83.060376
"1530068"	260.137708	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+IsoProp+Na+H"	84.054008
"992140"	130.075676	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+2ACN+2H"	84.067652
"1593206"	261.052328	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K+HCOOH"	84.968628
"1418867"	291.083838	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+H+CF3COOH"	115.000138
"1158996"	150.588951	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+3ACN+2H"	125.094202
"1708545"	308.110385	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+NH4+CF3COOH"	132.026685
"1648569"	313.06578	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+Na+CF3COOH"	136.98208
"1579843"	329.03972	"C14102"	"cis-12-Dihydroxy-12-dihydro-7-methylnaphthalene"	"C11H12O2"	"176.0837"	"M+K+CF3COOH"	152.95602
"810210"	152.0473	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M"	0
"977182"	133.02891	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"75267"	100.357590666667	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"518281"	151.040024	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"895355"	49.6751573333333	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"15516"	151.040024	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"455232"	227.063674	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"832550"	75.016374	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"94163"	303.087324	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"533925"	455.134624	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"911202"	151.040024	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"62742"	320.113871	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"501204"	472.161171	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"868921"	168.066571	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"43382"	325.069266	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"484036"	477.116566	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"861841"	173.021966	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1634018"	173.021966	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"109990"	169.028363	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"548444"	245.052013	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"934424"	93.004713	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"277355"	339.064002	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"668685"	491.111302	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1286556"	187.016702	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"29965"	341.043206	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"468670"	493.090506	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"845385"	188.995906	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1571104"	188.995906	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"955666"	197.045494	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"371695"	349.092801	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"355579"	363.108451	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1504409"	211.061151	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"969761"	219.027451	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"120856"	187.016702	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"559323"	263.040352	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1033590"	110.993052	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1255355"	230.966185	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1317802"	233.022172	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1334206"	255.004129	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"924170"	265.032886	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1298693"	301.009564	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1380134"	117.034624	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1393258"	135.0446	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"297319"	305.101876	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"688644"	457.149176	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1363904"	153.054576	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"136793"	153.054576	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"581230"	229.078226	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1049531"	77.030926	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"215246"	102.372142666667	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"655900"	153.054576	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1174023"	51.6897093333333	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"436201"	322.128423	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"799018"	474.175723	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1692430"	170.081123	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"340712"	161.5678495	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"734228"	237.5914995	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1489137"	85.5441995	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"401255"	327.083818	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"763342"	479.131118	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1612541"	175.036518	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"325862"	164.045547	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"720470"	240.069197	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1474662"	88.021897	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1067536"	59.0170233333333	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1272129"	185.080786	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"392163"	343.057758	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"747688"	495.105058	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1553034"	191.010458	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"313490"	172.032517	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"705914"	248.056167	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1460788"	96.008867	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"250400"	346.128426	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1225574"	194.081126	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1209137"	97.544201	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"201804"	349.06576	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"642458"	501.11306	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1141590"	197.01846	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"184516"	175.036518	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"623346"	251.060168	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1121746"	99.012868	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1404538"	66.3443373333333	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1434107"	199.060046	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"224164"	180.06954	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1514053"	213.11209	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"415925"	183.023488	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"775826"	259.047138	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1667787"	106.999838	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"255394"	368.110368	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1237951"	216.063068	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1721370"	216.086593	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1192562"	73.6716513333333	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1665013"	221.041988	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"170778"	381.01364	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"607785"	533.06094	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1096314"	228.96634	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"149849"	191.010458	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"590137"	267.034108	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1082916"	114.986808	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1115410"	230.980892	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1349964"	231.068507	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1012053"	235.107676	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1533458"	236.101308	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"997719"	118.057476	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1596597"	237.015928	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1422256"	267.047438	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1158011"	138.570751	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1707563"	284.073985	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1649408"	289.02938	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1583233"	305.00332	"C14103"	"4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"801555"	192.0786	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M"	0
"974738"	173.06021	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"73189"	127.045124	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"513845"	191.071324	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"895420"	63.018924	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"14601"	191.071324	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"451978"	287.110624	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"832335"	95.032024	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"93418"	383.149924	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"533831"	575.228524	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"909931"	191.071324	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"62118"	400.176471	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"501435"	592.255071	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"877775"	208.097871	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"36931"	405.131866	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"483053"	597.210466	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"858671"	213.053266	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1629296"	213.053266	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"109936"	209.059663	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"548675"	305.098963	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"937814"	113.020363	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"278560"	419.126602	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"670982"	611.205202	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1285572"	227.048002	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"29221"	421.105806	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"470967"	613.184406	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"844400"	229.027206	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1567526"	229.027206	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"951036"	237.076794	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"367065"	429.155401	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"349855"	443.171051	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1497592"	251.092451	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"963308"	259.058751	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"116590"	227.048002	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"560525"	323.087302	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1032606"	131.008702	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1248902"	270.997485	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1317911"	273.053472	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1332128"	295.035429	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"923915"	305.064186	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1295522"	341.040864	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1371495"	157.065924	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1396283"	175.0759	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"286491"	385.164476	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"683286"	577.243076	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1362918"	193.085876	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"139819"	193.085876	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"579379"	289.125176	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1050731"	97.046576	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"213169"	129.059676	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"653821"	193.085876	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1173039"	65.033476	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"436311"	402.191023	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"799491"	594.269623	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1690353"	210.112423	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"341915"	201.5991495	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"735067"	297.6384495	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1485967"	105.5598495	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"399178"	407.146418	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"763452"	599.225018	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1610464"	215.067818	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"327065"	204.076847	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"719487"	300.116147	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1472219"	108.037547	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1065827"	72.36079	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1271147"	225.112086	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"391909"	423.120358	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"747798"	615.198958	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1547676"	231.041758	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"310320"	212.063817	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"705659"	308.103117	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1460449"	116.024517	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"247349"	426.191026	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1220787"	234.112426	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1206492"	117.559851	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"200819"	429.12836	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"640744"	621.20696	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1139877"	237.04976	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"183165"	215.067818	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"617258"	311.107118	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1119669"	119.028518	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1402098"	79.688104	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1433124"	239.091346	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"220631"	220.10084	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1515256"	253.14339	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"410565"	223.054788	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"772654"	319.094088	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1667897"	127.015488	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"252589"	448.172968	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1236968"	256.094368	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1721480"	256.117893	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1192668"	87.015418	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1663661"	261.073288	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"169794"	461.07624	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"605341"	653.15484	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1097153"	268.99764	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"149958"	231.041758	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"591341"	327.081058	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1083147"	135.002458	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1115274"	271.012192	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1351250"	271.099807	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1021126"	275.138976	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1534661"	276.132608	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"1001110"	138.073126	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1597800"	277.047228	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1422367"	307.078738	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1159215"	158.586401	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1710952"	324.105285	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1649518"	329.06068	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1583343"	345.03462	"C14104"	"cis-12-Dihydroxy-12-dihydro-7-hydroxymethylnaphthalene"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"802167"	190.063	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M"	0
"974967"	171.04461	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-H2O-H"	-19.01839
"73299"	125.701390666667	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M-3H"	-3.021828
"515049"	189.055724	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M-3H"	-3.021828
"894441"	62.3470573333333	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-3H"	-3.021828
"14959"	189.055724	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M-2H"	-2.014552
"453181"	284.087224	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M-2H"	-2.014552
"832202"	94.024224	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-2H"	-2.014552
"93286"	379.118724	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M-H"	-1.007276
"533699"	569.181724	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M-H"	-1.007276
"909434"	189.055724	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-H"	-1.007276
"62471"	396.145271	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M-2H+NH4"	16.019271
"502153"	586.208271	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M-2H+NH4"	16.019271
"877401"	206.082271	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-2H+NH4"	16.019271
"40321"	401.100666	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M-2H+Na"	20.974666
"482070"	591.163666	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M-2H+Na"	20.974666
"857688"	211.037666	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-2H+Na"	20.974666
"1629406"	211.037666	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Na-2H"	20.974666
"107038"	207.044063	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M-H+Cl"	33.962126
"547689"	302.075563	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M-H+Cl"	33.962126
"936831"	112.012563	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-H+Cl"	33.962126
"276482"	415.095402	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+Cl"	34.969402
"671092"	605.158402	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+Cl"	34.969402
"1286047"	225.032402	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Cl"	34.969402
"29332"	417.074606	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M-2H+K"	36.948606
"468890"	607.137606	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M-2H+K"	36.948606
"846334"	227.011606	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-2H+K"	36.948606
"1566909"	227.011606	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+K-2H"	36.948606
"951511"	235.061194	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-H+HCOOH"	44.998194
"367541"	425.124201	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+HCOOH-H"	44.998201
"352518"	439.139851	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+Hac-H"	59.013851
"1498798"	249.076851	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Hac-H"	59.013851
"963419"	257.043151	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-H+NaCOOH"	66.980151
"115606"	225.032402	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+2Cl"	69.938804
"557354"	320.063902	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+2Cl"	69.938804
"1029434"	130.000902	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2Cl"	69.938804
"1249012"	268.981885	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Br"	78.918885
"1314741"	271.037872	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Cl+HCOOH"	80.974872
"1323488"	293.019829	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Cl+NaCOOH"	102.956829
"923296"	303.048586	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M-H+CF3COOH"	112.985586
"1295632"	339.025264	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Cl+CF3COOH"	148.962264
"1371605"	155.050324	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H-2H2O"	-35.012676
"1391289"	173.0603	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H-H2O"	-17.0027
"286601"	381.133276	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+H"	1.007276
"682303"	571.196276	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+H"	1.007276
"1363028"	191.070276	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H"	1.007276
"133732"	191.070276	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+2H"	2.014552
"577667"	286.101776	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+2H"	2.014552
"1046467"	96.038776	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2H"	2.014552
"213277"	127.715942666667	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+3H"	3.021828
"653930"	191.070276	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+3H"	3.021828
"1172056"	64.3616093333333	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+3H"	3.021828
"435326"	398.159823	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+NH4"	18.033823
"795227"	588.222823	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+NH4"	18.033823
"1690463"	208.096823	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+NH4"	18.033823
"339836"	199.5835495	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+H+NH4"	19.041099
"733351"	294.6150495	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+H+NH4"	19.041099
"1486076"	104.5520495	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H+NH4"	19.041099
"401474"	403.115218	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+Na"	22.989218
"757002"	593.178218	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+Na"	22.989218
"1610570"	213.052218	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Na"	22.989218
"323525"	202.061247	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+H+Na"	23.996494
"716311"	297.092747	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+H+Na"	23.996494
"1474513"	107.029747	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H+Na"	23.996494
"1065566"	71.6889233333333	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2H+Na"	25.00377
"1270529"	223.096486	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+CH3OH+H"	33.033486
"390194"	419.089158	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+K"	38.963158
"746815"	609.152158	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+K"	38.963158
"1550702"	229.026158	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+K"	38.963158
"312376"	210.048217	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+H+K"	39.970434
"706012"	305.079717	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+H+K"	39.970434
"1459831"	115.016717	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H+K"	39.970434
"247459"	422.159826	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+ACN+H"	42.033826
"1220897"	232.096826	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+ACN+H"	42.033826
"1207331"	116.552051	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+ACN+2H"	43.041102
"201657"	425.09716	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+2Na-H"	44.97116
"642311"	615.16016	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+2Na-H"	44.97116
"1141080"	235.03416	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2Na-H"	44.97116
"183275"	213.052218	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+2Na"	45.978436
"617368"	308.083718	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+2Na"	45.978436
"1121966"	118.020718	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2Na"	45.978436
"1401116"	79.0162373333333	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H+2Na"	46.985712
"1433598"	237.075746	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H+HCOOH"	47.012746
"221834"	218.08524	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+3H2O+2H"	56.04448
"1515366"	251.12779	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+IsoProp+H"	61.06479
"411768"	221.039188	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+Na+K"	61.952376
"772763"	316.070688	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+Na+K"	61.952376
"1668007"	126.007688	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Na+K"	61.952376
"253792"	444.141768	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+ACN+Na"	64.015768
"1235622"	254.078768	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+ACN+Na"	64.015768
"1722684"	254.102293	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+NH4+HCOOH"	64.039293
"1189135"	86.3435513333333	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+3Na"	68.967654
"1662315"	259.057688	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Na+HCOOH"	68.994688
"167717"	457.04504	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+2K-H"	76.91904
"605088"	647.10804	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+2K-H"	76.91904
"1098356"	266.98204	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2K-H"	76.91904
"150432"	229.026158	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"2M+2K"	77.926316
"591814"	324.057658	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"3M+2K"	77.926316
"1081067"	133.994658	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2K"	77.926316
"1113926"	268.996592	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2K+H"	78.933592
"1351156"	269.084207	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+DMSO+H"	79.021207
"1021028"	273.123376	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2ACN+H"	83.060376
"1535865"	274.117008	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+IsoProp+Na+H"	84.054008
"1000127"	137.065326	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+2ACN+2H"	84.067652
"1599004"	275.031628	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+K+HCOOH"	84.968628
"1423570"	305.063138	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+H+CF3COOH"	115.000138
"1159324"	157.578601	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+3ACN+2H"	125.094202
"1712034"	322.089685	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+NH4+CF3COOH"	132.026685
"1649628"	327.04508	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+Na+CF3COOH"	136.98208
"1583453"	343.01902	"C14105"	"12-Dihydroxy-7-hydroxymethylnaphthalene"	"C11H10O3"	"190.063"	"M+K+CF3COOH"	152.95602
"802396"	222.0528	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M"	0
"976416"	203.03441	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"73409"	147.027924	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"515159"	221.045524	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"894548"	73.010324	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"14827"	221.045524	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"452927"	332.071924	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"830001"	110.019124	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"92667"	443.098324	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"532958"	665.151124	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"909782"	221.045524	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"62093"	460.124871	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"500801"	682.177671	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"877873"	238.072071	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"40431"	465.080266	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"478897"	687.133066	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"858890"	243.027466	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1627330"	243.027466	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"108242"	239.033863	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"549383"	350.060263	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"935848"	128.007463	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"277684"	479.075002	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"671202"	701.127802	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1285428"	257.022202	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"28348"	481.054206	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"469001"	703.107006	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"844621"	259.001406	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1564833"	259.001406	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"949434"	267.050994	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"369836"	489.103801	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"353721"	503.119451	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1499637"	281.066651	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"961707"	289.032951	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"113893"	257.022202	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"555277"	368.048602	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1027357"	145.995802	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1249122"	300.971685	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1313758"	303.027672	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1332346"	325.009629	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"921219"	335.038386	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1295742"	371.015064	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1368677"	187.040124	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1391399"	205.0501	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"289991"	445.112876	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"684600"	667.165676	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1362047"	223.060076	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"133843"	223.060076	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"576682"	334.086476	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1046577"	112.033676	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"213387"	149.042476	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"650761"	223.060076	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1171072"	75.024876	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"434343"	462.139423	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"795338"	684.192223	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1691666"	240.086623	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"341039"	231.5733495	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"733461"	342.5997495	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1482907"	120.5469495	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"398305"	467.094818	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"760392"	689.147618	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1611774"	245.042018	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"321813"	234.051047	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"716421"	345.077447	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1474259"	123.024647	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1064583"	82.35219	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1271369"	255.086286	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"390304"	483.068758	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"748018"	705.121558	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1550813"	261.015958	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"313461"	242.038017	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"706732"	353.064417	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1459698"	131.011617	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"250854"	486.139426	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1221737"	264.086626	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1208172"	132.546951	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"203595"	489.07676	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"641936"	711.12956	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1141190"	267.02396	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"183385"	245.042018	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"618571"	356.068418	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1120983"	134.015618	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1402319"	89.679504	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1434436"	269.065546	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"222308"	250.07504	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1518755"	283.11759	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"412243"	253.028988	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"773967"	364.055388	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1672489"	142.002588	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"254995"	508.121368	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1236826"	286.068568	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1723887"	286.092093	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1188148"	97.006818	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1662425"	291.047488	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"167097"	521.02464	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"605197"	743.07744	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1098345"	298.97184	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"150907"	261.015958	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"591195"	372.042358	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1079352"	149.989558	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1115335"	300.986392	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1351031"	301.074007	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1021221"	305.113176	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1532697"	306.106808	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"1001331"	153.060226	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1600207"	307.021428	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1426960"	337.052938	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1161622"	173.573501	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1711173"	354.079485	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1647916"	359.03488	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1583563"	375.00882	"C14106"	"2-Hydroxy-7-hydroxymethylchromene-2-carboxylate"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"812839"	222.0528	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M"	0
"988561"	203.03441	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"76436"	147.027924	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"517091"	221.045524	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"895272"	73.010324	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"15142"	221.045524	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"454377"	332.071924	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"831572"	110.019124	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"93631"	443.098324	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"532949"	665.151124	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"908562"	221.045524	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"61844"	460.124871	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"502692"	682.177671	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"877014"	238.072071	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"43824"	465.080266	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"483385"	687.133066	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"861190"	243.027466	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1633929"	243.027466	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"109446"	239.033863	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"549128"	350.060263	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"941063"	128.007463	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"277799"	479.075002	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"671314"	701.127802	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1282624"	257.022202	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"29918"	481.054206	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"469479"	703.107006	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"846193"	259.001406	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1564945"	259.001406	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"952828"	267.050994	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"371045"	489.103801	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"352742"	503.119451	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1500478"	281.066651	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"964739"	289.032951	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"121300"	257.022202	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"560861"	368.048602	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1026742"	145.995802	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1249237"	300.971685	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1311684"	303.027672	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1324805"	325.009629	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"914769"	335.038386	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1300958"	371.015064	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1376201"	187.040124	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1392607"	205.0501	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"295575"	445.112876	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"686899"	667.165676	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1363249"	223.060076	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"136142"	223.060076	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"576800"	334.086476	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1049246"	112.033676	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"216781"	149.042476	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"653061"	223.060076	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1174466"	75.024876	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"437738"	462.139423	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"792172"	684.192223	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1690685"	240.086623	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"341156"	231.5733495	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"734670"	342.5997495	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1483022"	120.5469495	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"400606"	467.094818	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"760503"	689.147618	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1614076"	245.042018	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"320829"	234.051047	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"716532"	345.077447	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1467074"	123.024647	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1068145"	82.35219	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1272208"	255.086286	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"390413"	483.068758	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"751408"	705.121558	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1555019"	261.015958	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"313651"	242.038017	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"705263"	353.064417	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1459813"	131.011617	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"250727"	486.139426	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1224771"	264.086626	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1209221"	132.546951	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"204261"	489.07676	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"644200"	711.12956	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1146856"	267.02396	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"186778"	245.042018	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"621964"	356.068418	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1122188"	134.015618	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1412889"	89.679504	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1443298"	269.065546	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"235190"	250.07504	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1522153"	283.11759	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"417462"	253.028988	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"778456"	364.055388	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1679895"	142.002588	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"259122"	508.121368	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1239493"	286.068568	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1723275"	286.092093	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1192641"	97.006818	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1659623"	291.047488	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"166846"	521.02464	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"607860"	743.07744	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1098582"	298.97184	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"154546"	261.015958	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"594224"	372.042358	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1080924"	149.989558	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1114867"	300.986392	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1350780"	301.074007	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1021169"	305.113176	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1534992"	306.106808	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"1001441"	153.060226	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1599224"	307.021428	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1425976"	337.052938	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1161732"	173.573501	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1710188"	354.079485	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1648026"	359.03488	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1583673"	375.00882	"C14107"	"2-Hydroxy-4-hydroxymethylbenzalpyruvate"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"802012"	152.0473	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M"	0
"974812"	133.02891	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"70349"	100.357590666667	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"516108"	151.040024	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"892091"	49.6751573333333	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"14921"	151.040024	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"453507"	227.063674	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"832748"	75.016374	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"94023"	303.087324	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"534109"	455.134624	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"910001"	151.040024	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"62433"	320.113871	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"501262"	472.161171	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"877850"	168.066571	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"42838"	325.069266	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"481304"	477.116566	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"859113"	173.021966	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1634040"	173.021966	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"109912"	169.028363	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"549362"	245.052013	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"941905"	93.004713	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"280826"	339.064002	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"674706"	491.111302	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1286013"	187.016702	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"30029"	341.043206	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"471237"	493.090506	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"846304"	188.995906	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1569429"	188.995906	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"956948"	197.045494	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"372248"	349.092801	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"354308"	363.108451	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1503867"	211.061151	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"965942"	219.027451	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"121411"	187.016702	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"562064"	263.040352	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1027581"	110.993052	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1244607"	230.966185	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1308512"	233.022172	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1326008"	255.004129	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"915971"	265.032886	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1299975"	301.009564	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1376311"	117.034624	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1392717"	135.0446	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"293499"	305.101876	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"686645"	457.149176	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1360079"	153.054576	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"132968"	153.054576	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"573623"	229.078226	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1045709"	77.030926	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"211423"	102.372142666667	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"653171"	153.054576	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1168015"	51.6897093333333	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"431287"	322.128423	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"792282"	474.175723	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1689702"	170.081123	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"341266"	161.5678495	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"731500"	237.5914995	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1484225"	85.5441995	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"397436"	327.083818	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"757334"	479.131118	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1610906"	175.036518	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"320939"	164.045547	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"711175"	240.069197	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1466090"	88.021897	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1066629"	59.0170233333333	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1269763"	185.080786	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"386149"	343.057758	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"748238"	495.105058	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1553223"	191.010458	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"313969"	172.032517	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"704642"	248.056167	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1460980"	96.008867	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"250999"	346.128426	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1225418"	194.081126	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1209823"	97.544201	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"203574"	349.06576	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"643618"	501.11306	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1144692"	197.01846	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"183608"	175.036518	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"620981"	251.060168	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1122298"	99.012868	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1413972"	66.3443373333333	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1443408"	199.060046	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"235177"	180.06954	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1522991"	213.11209	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"418664"	183.023488	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"779658"	259.047138	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1679275"	106.999838	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"260325"	368.110368	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1236319"	216.063068	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1723018"	216.086593	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1187280"	73.6716513333333	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1660460"	221.041988	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"167320"	381.01364	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"606877"	533.06094	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1096868"	228.96634	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"152591"	191.010458	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"592148"	267.034108	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1081034"	114.986808	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1114246"	230.980892	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1349543"	231.068507	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1021119"	235.107676	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1532916"	236.101308	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"996083"	118.057476	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1598240"	237.015928	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1424992"	267.047438	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1160384"	138.570751	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1707017"	284.073985	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1647770"	289.02938	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1580503"	305.00332	"C14108"	"4-Hydroxymethylsalicylaldehyde;2-Hydroxy-4-hydroxymethyl-benzaldehyde"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"803215"	168.0423	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M"	0
"975653"	149.02391	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"70459"	111.020924	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"516582"	167.035024	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"892201"	55.006824	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"15234"	167.035024	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"451430"	251.056174	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"832155"	83.013874	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"93358"	335.077324	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"533406"	503.119624	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"908773"	167.035024	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"61570"	352.103871	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"499428"	520.146171	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"877839"	184.061571	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"44041"	357.059266	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"483601"	525.101566	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"859223"	189.016966	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1634033"	189.016966	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"109712"	185.023363	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"549189"	269.044513	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"940558"	101.002213	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"278749"	371.054002	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"673967"	539.096302	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1283937"	203.011702	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"28682"	373.033206	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"469702"	541.075506	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"846778"	204.990906	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1569538"	204.990906	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"957057"	213.040494	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"375639"	381.082801	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"355147"	395.098451	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1503977"	227.056151	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"968238"	235.022451	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"122250"	203.011702	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"562174"	287.032852	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1028784"	118.990552	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1247633"	246.961185	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1309715"	249.017172	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1325390"	270.999129	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"912801"	281.027886	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1300450"	317.004564	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1377514"	133.029624	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1392828"	151.0396	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"294702"	337.091876	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"686026"	505.134176	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1359095"	169.049576	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"130891"	169.049576	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"573733"	253.070726	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1044725"	85.028426	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"208617"	113.035476	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"653281"	169.049576	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1168125"	57.021376	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"430303"	354.118423	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"793485"	522.160723	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1689812"	186.076123	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"339189"	177.5628495	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"730517"	261.5839995	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1484335"	93.5416995	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"398640"	359.073818	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"759630"	527.116118	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1612109"	191.031518	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"319956"	180.040547	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"712381"	264.061697	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1467294"	96.019397	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1064553"	64.34869	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1264405"	201.075786	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"385166"	375.047758	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"745068"	543.090058	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1554427"	207.005458	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"312333"	188.027517	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"705118"	272.048667	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1460276"	104.006367	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"250460"	378.118426	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1225494"	210.076126	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1209688"	105.541701	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"203322"	381.05576	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"643607"	549.09806	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1145534"	213.01346	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"183718"	191.031518	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"624371"	275.052668	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1122408"	107.010368	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1413719"	71.676004	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1443518"	215.055046	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"232487"	196.06454	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1522010"	229.10709	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"418774"	199.018488	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"777580"	283.039638	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1679386"	114.997338	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"261528"	400.100368	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1237159"	232.058068	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1720943"	232.081593	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1188848"	79.003318	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1659477"	237.036988	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"168523"	413.00364	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"604800"	581.04594	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1096978"	244.96134	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"151605"	207.005458	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"594444"	291.026608	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1076768"	122.984308	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1109978"	246.975892	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1350260"	247.063507	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1019276"	251.102676	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1538126"	252.096308	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"997287"	126.054976	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1599444"	253.010928	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1425833"	283.042438	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1160494"	146.568251	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1704940"	300.068985	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1647880"	305.02438	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1580613"	320.99832	"C14109"	"4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"802595"	140.0473	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M"	0
"976126"	121.02891	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H2O-H"	-19.01839
"70569"	92.3575906666667	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-3H"	-3.021828
"514505"	139.040024	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-3H"	-3.021828
"890125"	45.6751573333333	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-3H"	-3.021828
"13073"	139.040024	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H"	-2.014552
"450447"	209.063674	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H"	-2.014552
"832386"	69.016374	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H"	-2.014552
"93105"	279.087324	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-H"	-1.007276
"532178"	419.134624	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-H"	-1.007276
"910342"	139.040024	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H"	-1.007276
"61198"	296.113871	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H+NH4"	16.019271
"499538"	436.161171	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H+NH4"	16.019271
"878438"	156.066571	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H+NH4"	16.019271
"44147"	301.069266	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H+Na"	20.974666
"478607"	441.116566	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H+Na"	20.974666
"858240"	161.021966	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H+Na"	20.974666
"1628866"	161.021966	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na-2H"	20.974666
"109612"	157.028363	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-H+Cl"	33.962126
"549296"	227.052013	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-H+Cl"	33.962126
"942122"	87.004713	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+Cl"	33.962126
"278858"	315.064002	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Cl"	34.969402
"673831"	455.111302	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+Cl"	34.969402
"1286235"	175.016702	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl"	34.969402
"29884"	317.043206	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M-2H+K"	36.948606
"469446"	457.090506	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M-2H+K"	36.948606
"846156"	176.995906	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-2H+K"	36.948606
"1569649"	176.995906	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K-2H"	36.948606
"958139"	185.045494	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+HCOOH"	44.998194
"372469"	325.092801	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+HCOOH-H"	44.998201
"355257"	339.108451	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Hac-H"	59.013851
"1505181"	199.061151	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Hac-H"	59.013851
"971628"	207.027451	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+NaCOOH"	66.980151
"122723"	175.016702	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2Cl"	69.938804
"560095"	245.040352	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2Cl"	69.938804
"1032174"	104.993052	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2Cl"	69.938804
"1250659"	218.966185	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Br"	78.918885
"1309825"	221.022172	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl+HCOOH"	80.974872
"1321124"	243.004129	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl+NaCOOH"	102.956829
"912545"	253.032886	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M-H+CF3COOH"	112.985586
"1299466"	289.009564	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Cl+CF3COOH"	148.962264
"1376531"	105.034624	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H-2H2O"	-35.012676
"1392938"	123.0446	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H-H2O"	-17.0027
"293719"	281.101876	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H"	1.007276
"686136"	421.149176	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H"	1.007276
"1359205"	141.054576	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H"	1.007276
"131001"	141.054576	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2H"	2.014552
"573843"	211.078226	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2H"	2.014552
"1043742"	71.030926	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2H"	2.014552
"208363"	94.3721426666667	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+3H"	3.021828
"652298"	141.054576	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+3H"	3.021828
"1168235"	47.6897093333333	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+3H"	3.021828
"429320"	298.128423	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+NH4"	18.033823
"794688"	438.175723	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+NH4"	18.033823
"1689922"	158.081123	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+NH4"	18.033823
"336020"	149.5678495	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H+NH4"	19.041099
"730627"	219.5914995	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H+NH4"	19.041099
"1483352"	79.5441995	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+NH4"	19.041099
"400936"	303.083818	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Na"	22.989218
"759740"	443.131118	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+Na"	22.989218
"1612219"	163.036518	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na"	22.989218
"324438"	152.045547	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H+Na"	23.996494
"713584"	222.069197	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H+Na"	23.996494
"1468497"	82.021897	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+Na"	23.996494
"1062839"	55.0170233333333	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2H+Na"	25.00377
"1265608"	173.080786	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+CH3OH+H"	33.033486
"379809"	319.057758	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+K"	38.963158
"739467"	459.105058	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+K"	38.963158
"1552714"	179.010458	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K"	38.963158
"310619"	160.032517	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+H+K"	39.970434
"702677"	230.056167	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+H+K"	39.970434
"1457955"	90.008867	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+K"	39.970434
"249472"	322.128426	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+ACN+H"	42.033826
"1224613"	182.081126	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+ACN+H"	42.033826
"1209225"	91.544201	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+ACN+2H"	43.041102
"202090"	325.06576	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2Na-H"	44.97116
"643233"	465.11306	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2Na-H"	44.97116
"1139443"	185.01846	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2Na-H"	44.97116
"178359"	163.036518	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2Na"	45.978436
"619012"	233.060168	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2Na"	45.978436
"1118870"	93.012868	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2Na"	45.978436
"1413221"	62.3443373333333	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+2Na"	46.985712
"1440348"	187.060046	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+HCOOH"	47.012746
"233325"	168.06954	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+3H2O+2H"	56.04448
"1522119"	201.11209	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+IsoProp+H"	61.06479
"418884"	171.023488	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+Na+K"	61.952376
"777690"	241.047138	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+Na+K"	61.952376
"1675119"	100.999838	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na+K"	61.952376
"260545"	344.110368	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+ACN+Na"	64.015768
"1236537"	204.063068	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+ACN+Na"	64.015768
"1723967"	204.086593	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+NH4+HCOOH"	64.039293
"1188593"	69.6716513333333	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+3Na"	68.967654
"1660679"	209.041988	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na+HCOOH"	68.994688
"167540"	357.01364	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2K-H"	76.91904
"606003"	497.06094	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2K-H"	76.91904
"1097939"	216.96634	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2K-H"	76.91904
"151715"	179.010458	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"2M+2K"	77.926316
"592368"	249.034108	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"3M+2K"	77.926316
"1076878"	108.986808	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2K"	77.926316
"1108995"	218.980892	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2K+H"	78.933592
"1348669"	219.068507	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+DMSO+H"	79.021207
"1019386"	223.107676	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2ACN+H"	83.060376
"1538600"	224.101308	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+IsoProp+Na+H"	84.054008
"999584"	112.057476	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+2ACN+2H"	84.067652
"1601013"	225.015928	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K+HCOOH"	84.968628
"1427036"	255.047438	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+H+CF3COOH"	115.000138
"1161576"	132.570751	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+3ACN+2H"	125.094202
"1705050"	272.073985	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+NH4+CF3COOH"	132.026685
"1646897"	277.02938	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+Na+CF3COOH"	136.98208
"1580723"	293.00332	"C14110"	"4-Hydroxymethylcatechol;34-Dihydroxybenzyl alcohol"	"C7H8O3"	"140.0473"	"M+K+CF3COOH"	152.95602
"801474"	176.0837	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M"	0
"976237"	157.06531	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-H2O-H"	-19.01839
"70679"	116.381857333333	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M-3H"	-3.021828
"514615"	175.076424	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M-3H"	-3.021828
"889141"	57.6872906666667	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-3H"	-3.021828
"15006"	175.076424	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M-2H"	-2.014552
"449464"	263.118274	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M-2H"	-2.014552
"829454"	87.034574	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-2H"	-2.014552
"91633"	351.160124	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M-H"	-1.007276
"531195"	527.243824	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M-H"	-1.007276
"908871"	175.076424	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-H"	-1.007276
"61181"	368.186671	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M-2H+NH4"	16.019271
"498554"	544.270371	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M-2H+NH4"	16.019271
"879274"	192.102971	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-2H+NH4"	16.019271
"44257"	373.142066	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M-2H+Na"	20.974666
"478353"	549.225766	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M-2H+Na"	20.974666
"860536"	197.058366	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-2H+Na"	20.974666
"1628976"	197.058366	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Na-2H"	20.974666
"108911"	193.064763	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M-H+Cl"	33.962126
"548597"	281.106613	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M-H+Cl"	33.962126
"941504"	105.022913	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-H+Cl"	33.962126
"279332"	387.136802	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+Cl"	34.969402
"673576"	563.220502	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+Cl"	34.969402
"1285253"	211.053102	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Cl"	34.969402
"29266"	389.116006	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M-2H+K"	36.948606
"469556"	565.199706	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M-2H+K"	36.948606
"846266"	213.032306	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-2H+K"	36.948606
"1569396"	213.032306	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+K-2H"	36.948606
"957564"	221.081894	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-H+HCOOH"	44.998194
"373672"	397.165601	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+HCOOH-H"	44.998201
"356461"	411.181251	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+Hac-H"	59.013851
"1504928"	235.097551	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Hac-H"	59.013851
"970645"	243.063851	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-H+NaCOOH"	66.980151
"123563"	211.053102	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+2Cl"	69.938804
"560205"	299.094952	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+2Cl"	69.938804
"1032284"	123.011252	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2Cl"	69.938804
"1249676"	255.002585	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Br"	78.918885
"1311030"	257.058572	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Cl+HCOOH"	80.974872
"1327433"	279.040529	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Cl+NaCOOH"	102.956829
"915209"	289.069286	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M-H+CF3COOH"	112.985586
"1298485"	325.045964	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Cl+CF3COOH"	148.962264
"1377736"	141.071024	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H-2H2O"	-35.012676
"1395234"	159.081	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H-H2O"	-17.0027
"295287"	353.174676	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+H"	1.007276
"688070"	529.258376	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+H"	1.007276
"1363691"	177.090976	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H"	1.007276
"136582"	177.090976	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+2H"	2.014552
"576509"	265.132826	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+2H"	2.014552
"1046041"	89.049126	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2H"	2.014552
"210661"	118.396409333333	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+3H"	3.021828
"657511"	177.090976	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+3H"	3.021828
"1172719"	59.7018426666667	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+3H"	3.021828
"433804"	370.201223	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+NH4"	18.033823
"796985"	546.284923	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+NH4"	18.033823
"1688939"	194.117523	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+NH4"	18.033823
"341963"	185.6042495	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+H+NH4"	19.041099
"731831"	273.6460995	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+H+NH4"	19.041099
"1485650"	97.5623995	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H+NH4"	19.041099
"401046"	375.156618	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+Na"	22.989218
"759850"	551.240318	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+Na"	22.989218
"1613422"	199.072918	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Na"	22.989218
"324547"	188.081947	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+H+Na"	23.996494
"714787"	276.123797	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+H+Na"	23.996494
"1468609"	100.040097	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H+Na"	23.996494
"1063317"	67.0291566666667	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2H+Na"	25.00377
"1266813"	209.117186	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+CH3OH+H"	33.033486
"383199"	391.130558	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+K"	38.963158
"744196"	567.214258	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+K"	38.963158
"1549178"	215.046858	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+K"	38.963158
"308906"	196.068917	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+H+K"	39.970434
"700234"	284.110767	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+H+K"	39.970434
"1455148"	108.027067	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H+K"	39.970434
"248852"	394.201226	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+ACN+H"	42.033826
"1223749"	218.117526	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+ACN+H"	42.033826
"1209091"	109.562401	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+ACN+2H"	43.041102
"200138"	397.13856	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+2Na-H"	44.97116
"642492"	573.22226	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+2Na-H"	44.97116
"1138460"	221.05486	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2Na-H"	44.97116
"177376"	199.072918	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+2Na"	45.978436
"619122"	287.114768	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+2Na"	45.978436
"1118980"	111.031068	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2Na"	45.978436
"1413327"	74.3564706666667	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H+2Na"	46.985712
"1438268"	223.096446	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H+HCOOH"	47.012746
"232342"	204.10594	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+3H2O+2H"	56.04448
"1522594"	237.14849	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+IsoProp+H"	61.06479
"421913"	207.059888	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+Na+K"	61.952376
"781080"	295.101738	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+Na+K"	61.952376
"1675229"	119.018038	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Na+K"	61.952376
"260654"	416.183168	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+ACN+Na"	64.015768
"1238469"	240.099468	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+ACN+Na"	64.015768
"1722250"	240.122993	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+NH4+HCOOH"	64.039293
"1185422"	81.6837846666667	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+3Na"	68.967654
"1657503"	245.078388	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Na+HCOOH"	68.994688
"167650"	429.08644	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+2K-H"	76.91904
"605020"	605.17014	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+2K-H"	76.91904
"1098290"	253.00274	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2K-H"	76.91904
"152918"	215.046858	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"2M+2K"	77.926316
"594664"	303.088708	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"3M+2K"	77.926316
"1079177"	127.005008	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2K"	77.926316
"1109105"	255.017292	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2K+H"	78.933592
"1346591"	255.104907	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+DMSO+H"	79.021207
"1019373"	259.144076	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2ACN+H"	83.060376
"1538346"	260.137708	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+IsoProp+Na+H"	84.054008
"999694"	130.075676	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+2ACN+2H"	84.067652
"1600391"	261.052328	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+K+HCOOH"	84.968628
"1428239"	291.083838	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+H+CF3COOH"	115.000138
"1159983"	150.588951	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+3ACN+2H"	125.094202
"1709533"	308.110385	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+NH4+CF3COOH"	132.026685
"1646276"	313.06578	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+Na+CF3COOH"	136.98208
"1580833"	329.03972	"C14111"	"5678-Tetrahydro-2-naphthoic acid"	"C11H12O2"	"176.0837"	"M+K+CF3COOH"	152.95602
"804639"	186.0892	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M"	0
"975012"	167.07081	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-H2O-H"	-19.01839
"70789"	123.052190666667	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M-3H"	-3.021828
"515819"	185.081924	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M-3H"	-3.021828
"891438"	61.0224573333333	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-3H"	-3.021828
"14266"	185.081924	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M-2H"	-2.014552
"451761"	278.126524	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M-2H"	-2.014552
"831388"	92.037324	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-2H"	-2.014552
"92716"	371.171124	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M-H"	-1.007276
"528022"	557.260324	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M-H"	-1.007276
"905822"	185.081924	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-H"	-1.007276
"58012"	388.197671	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M-2H+NH4"	16.019271
"498665"	574.286871	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M-2H+NH4"	16.019271
"876467"	202.108471	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-2H+NH4"	16.019271
"41087"	393.153066	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M-2H+Na"	20.974666
"482836"	579.242266	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M-2H+Na"	20.974666
"860282"	207.063866	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-2H+Na"	20.974666
"1629086"	207.063866	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Na-2H"	20.974666
"109794"	203.070263	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M-H+Cl"	33.962126
"549190"	296.114863	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M-H+Cl"	33.962126
"941376"	110.025663	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-H+Cl"	33.962126
"281512"	407.147802	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+Cl"	34.969402
"674052"	593.237002	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+Cl"	34.969402
"1286819"	221.058602	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Cl"	34.969402
"29378"	409.127006	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M-2H+K"	36.948606
"468939"	595.216206	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M-2H+K"	36.948606
"845283"	223.037806	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-2H+K"	36.948606
"1570235"	223.037806	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+K-2H"	36.948606
"958119"	231.087394	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-H+HCOOH"	44.998194
"374876"	417.176601	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+HCOOH-H"	44.998201
"357664"	431.192251	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+Hac-H"	59.013851
"1501391"	245.103051	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Hac-H"	59.013851
"969661"	253.069351	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-H+NaCOOH"	66.980151
"122943"	221.058602	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+2Cl"	69.938804
"562502"	314.103202	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+2Cl"	69.938804
"1034218"	128.014002	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2Cl"	69.938804
"1249786"	265.008085	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Br"	78.918885
"1311140"	267.064072	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Cl+HCOOH"	80.974872
"1325719"	289.046029	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Cl+NaCOOH"	102.956829
"918601"	299.074786	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M-H+CF3COOH"	112.985586
"1299690"	335.051464	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Cl+CF3COOH"	148.962264
"1378940"	151.076524	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H-2H2O"	-35.012676
"1394982"	169.0865	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H-H2O"	-17.0027
"296123"	373.185676	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+H"	1.007276
"689638"	559.274876	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+H"	1.007276
"1363803"	187.096476	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H"	1.007276
"136693"	187.096476	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+2H"	2.014552
"576252"	280.141076	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+2H"	2.014552
"1043957"	94.051876	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2H"	2.014552
"212957"	125.066742666667	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+3H"	3.021828
"653248"	187.096476	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+3H"	3.021828
"1171736"	63.0370093333333	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+3H"	3.021828
"435008"	390.212223	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+NH4"	18.033823
"794911"	576.301423	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+NH4"	18.033823
"1690143"	204.123023	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+NH4"	18.033823
"340606"	195.6097495	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+H+NH4"	19.041099
"730840"	288.6543495	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+H+NH4"	19.041099
"1484668"	102.5651495	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H+NH4"	19.041099
"398970"	395.167618	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+Na"	22.989218
"757774"	581.256818	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+Na"	22.989218
"1610253"	209.078418	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Na"	22.989218
"320285"	198.087447	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+H+Na"	23.996494
"714897"	291.132047	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+H+Na"	23.996494
"1465434"	105.042847	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H+Na"	23.996494
"1063061"	70.3643233333333	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2H+Na"	25.00377
"1265829"	219.122686	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+CH3OH+H"	33.033486
"380030"	411.141558	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+K"	38.963158
"743213"	597.230758	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+K"	38.963158
"1553662"	225.052358	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+K"	38.963158
"311566"	206.074417	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+H+K"	39.970434
"703625"	299.119017	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+H+K"	39.970434
"1458538"	113.029817	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H+K"	39.970434
"250056"	414.212226	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+ACN+H"	42.033826
"1224101"	228.123026	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+ACN+H"	42.033826
"1208958"	114.565151	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+ACN+2H"	43.041102
"201341"	417.14956	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+2Na-H"	44.97116
"641629"	603.23876	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+2Na-H"	44.97116
"1137476"	231.06036	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2Na-H"	44.97116
"177851"	209.078418	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+2Na"	45.978436
"619232"	302.123018	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+2Na"	45.978436
"1119091"	116.033818	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2Na"	45.978436
"1413195"	77.6916373333333	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H+2Na"	46.985712
"1435463"	233.101946	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H+HCOOH"	47.012746
"231359"	214.11144	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+3H2O+2H"	56.04448
"1522702"	247.15399	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+IsoProp+H"	61.06479
"422386"	217.065388	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+Na+K"	61.952376
"777911"	310.109988	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+Na+K"	61.952376
"1679713"	124.020788	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Na+K"	61.952376
"260765"	436.194168	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+ACN+Na"	64.015768
"1233475"	250.104968	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+ACN+Na"	64.015768
"1723455"	250.128493	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+NH4+HCOOH"	64.039293
"1185532"	85.0189513333333	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+3Na"	68.967654
"1656518"	255.083888	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Na+HCOOH"	68.994688
"169946"	449.09744	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+2K-H"	76.91904
"606222"	635.18664	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+2K-H"	76.91904
"1099744"	263.00824	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2K-H"	76.91904
"156678"	225.052358	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"2M+2K"	77.926316
"592588"	318.096958	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"3M+2K"	77.926316
"1081109"	132.007758	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2K"	77.926316
"1109215"	265.022792	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2K+H"	78.933592
"1350346"	265.110407	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+DMSO+H"	79.021207
"1020334"	269.149576	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2ACN+H"	83.060376
"1539852"	270.143208	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+IsoProp+Na+H"	84.054008
"1003084"	135.078426	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+2ACN+2H"	84.067652
"1601838"	271.057828	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+K+HCOOH"	84.968628
"1429078"	301.089338	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+H+CF3COOH"	115.000138
"1160093"	155.591701	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+3ACN+2H"	125.094202
"1709643"	318.115885	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+NH4+CF3COOH"	132.026685
"1639825"	323.07128	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+Na+CF3COOH"	136.98208
"1580943"	339.04522	"C14112"	"cis-2-Carboxycyclohexyl-acetic acid"	"C9H14O4"	"186.0892"	"M+K+CF3COOH"	152.95602
"804749"	182.1307	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M"	0
"976457"	163.11231	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-H2O-H"	-19.01839
"74179"	120.413190666667	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M-3H"	-3.021828
"517996"	181.123424	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M-3H"	-3.021828
"892643"	59.7029573333333	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-3H"	-3.021828
"13403"	181.123424	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M-2H"	-2.014552
"452965"	272.188774	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M-2H"	-2.014552
"831861"	90.058074	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-2H"	-2.014552
"92947"	363.254124	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M-H"	-1.007276
"528132"	545.384824	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M-H"	-1.007276
"905932"	181.123424	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-H"	-1.007276
"58122"	380.280671	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M-2H+NH4"	16.019271
"497681"	562.411371	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M-2H+NH4"	16.019271
"878643"	198.149971	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-2H+NH4"	16.019271
"39010"	385.236066	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M-2H+Na"	20.974666
"484039"	567.366766	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M-2H+Na"	20.974666
"859664"	203.105366	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-2H+Na"	20.974666
"1629196"	203.105366	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Na-2H"	20.974666
"108521"	199.111763	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M-H+Cl"	33.962126
"549832"	290.177113	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M-H+Cl"	33.962126
"937710"	108.046413	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-H+Cl"	33.962126
"282223"	399.230802	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+Cl"	34.969402
"673437"	581.361502	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+Cl"	34.969402
"1287939"	217.100102	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Cl"	34.969402
"30860"	401.210006	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M-2H+K"	36.948606
"468685"	583.340706	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M-2H+K"	36.948606
"845394"	219.079306	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-2H+K"	36.948606
"1570997"	219.079306	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+K-2H"	36.948606
"953486"	227.128894	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-H+HCOOH"	44.998194
"372436"	409.259601	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+HCOOH-H"	44.998201
"356680"	423.275251	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+Hac-H"	59.013851
"1504417"	241.144551	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Hac-H"	59.013851
"972323"	249.110851	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-H+NaCOOH"	66.980151
"121959"	217.100102	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+2Cl"	69.938804
"562612"	308.165452	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+2Cl"	69.938804
"1034692"	126.034752	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2Cl"	69.938804
"1250989"	261.049585	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Br"	78.918885
"1315623"	263.105572	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Cl+HCOOH"	80.974872
"1326922"	285.087529	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Cl+NaCOOH"	102.956829
"921990"	295.116286	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M-H+CF3COOH"	112.985586
"1300893"	331.092964	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Cl+CF3COOH"	148.962264
"1376863"	147.118024	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H-2H2O"	-35.012676
"1392177"	165.128	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H-H2O"	-17.0027
"294046"	365.268676	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+H"	1.007276
"688293"	547.399376	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+H"	1.007276
"1359906"	183.137976	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H"	1.007276
"136804"	183.137976	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+2H"	2.014552
"575999"	274.203326	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+2H"	2.014552
"1047348"	92.072626	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2H"	2.014552
"213797"	122.427742666667	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+3H"	3.021828
"655910"	183.137976	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+3H"	3.021828
"1171848"	61.7175093333333	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+3H"	3.021828
"435120"	382.295223	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+NH4"	18.033823
"797207"	564.425923	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+NH4"	18.033823
"1691346"	200.164523	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+NH4"	18.033823
"339623"	191.6512495	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+H+NH4"	19.041099
"733137"	282.7165995	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+H+NH4"	19.041099
"1486964"	100.5858995	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H+NH4"	19.041099
"402359"	387.250618	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+Na"	22.989218
"756791"	569.381318	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+Na"	22.989218
"1609270"	205.119918	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Na"	22.989218
"323674"	194.128947	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+H+Na"	23.996494
"716101"	285.194297	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+H+Na"	23.996494
"1469917"	103.063597	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H+Na"	23.996494
"1063899"	69.0448233333333	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2H+Na"	25.00377
"1269221"	215.164186	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+CH3OH+H"	33.033486
"388523"	403.224558	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+K"	38.963158
"745509"	585.355258	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+K"	38.963158
"1554742"	221.093858	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+K"	38.963158
"311310"	202.115917	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+H+K"	39.970434
"703732"	293.181267	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+H+K"	39.970434
"1460711"	111.050567	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H+K"	39.970434
"250530"	406.295226	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+ACN+H"	42.033826
"1225181"	224.164526	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+ACN+H"	42.033826
"1208212"	112.585901	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+ACN+2H"	43.041102
"203637"	409.23256	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+2Na-H"	44.97116
"643886"	591.36326	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+2Na-H"	44.97116
"1137586"	227.10186	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2Na-H"	44.97116
"178325"	205.119918	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+2Na"	45.978436
"619341"	296.185268	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+2Na"	45.978436
"1118472"	114.054568	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2Na"	45.978436
"1413749"	76.3721373333333	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H+2Na"	46.985712
"1437396"	229.143446	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H+HCOOH"	47.012746
"233655"	210.15294	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+3H2O+2H"	56.04448
"1523421"	243.19549	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+IsoProp+H"	61.06479
"423796"	213.106888	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+Na+K"	61.952376
"779115"	304.172238	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+Na+K"	61.952376
"1675450"	122.041538	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Na+K"	61.952376
"258688"	428.277168	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+ACN+Na"	64.015768
"1236865"	246.146468	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+ACN+Na"	64.015768
"1721379"	246.169993	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+NH4+HCOOH"	64.039293
"1186735"	83.6994513333333	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+3Na"	68.967654
"1653349"	251.125388	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Na+HCOOH"	68.994688
"167870"	441.18044	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+2K-H"	76.91904
"605239"	623.31114	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+2K-H"	76.91904
"1099364"	259.04974	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2K-H"	76.91904
"156423"	221.093858	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"2M+2K"	77.926316
"593791"	312.159208	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"3M+2K"	77.926316
"1080490"	130.028508	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2K"	77.926316
"1110418"	261.064292	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2K+H"	78.933592
"1348996"	261.151907	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+DMSO+H"	79.021207
"1020446"	265.191076	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2ACN+H"	83.060376
"1538933"	266.184708	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+IsoProp+Na+H"	84.054008
"1002101"	133.099176	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+2ACN+2H"	84.067652
"1599883"	267.099328	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+K+HCOOH"	84.968628
"1427729"	297.130838	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+H+CF3COOH"	115.000138
"1160205"	153.612451	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+3ACN+2H"	125.094202
"1711820"	314.157385	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+NH4+CF3COOH"	132.026685
"1641028"	319.11278	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+Na+CF3COOH"	136.98208
"1581053"	335.08672	"C14113"	"Decahydro-2-naphthoic acid;Decahydro-2-naphthalenecarboxylic acid"	"C11H18O2"	"182.1307"	"M+K+CF3COOH"	152.95602
"801659"	132.0939	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M"	0
"974261"	113.07551	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-H2O-H"	-19.01839
"71009"	87.055324	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M-3H"	-3.021828
"505102"	131.086624	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M-3H"	-3.021828
"891659"	43.024024	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-3H"	-3.021828
"10230"	131.086624	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M-2H"	-2.014552
"453075"	197.133574	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M-2H"	-2.014552
"830878"	65.039674	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-2H"	-2.014552
"93057"	263.180524	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M-H"	-1.007276
"529335"	395.274424	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M-H"	-1.007276
"907867"	131.086624	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-H"	-1.007276
"57139"	280.207071	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M-2H+NH4"	16.019271
"497793"	412.300971	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M-2H+NH4"	16.019271
"875595"	148.113171	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-2H+NH4"	16.019271
"38391"	285.162466	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M-2H+Na"	20.974666
"479776"	417.256366	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M-2H+Na"	20.974666
"850287"	153.068566	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-2H+Na"	20.974666
"1632222"	153.068566	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Na-2H"	20.974666
"108874"	149.074963	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M-H+Cl"	33.962126
"549779"	215.121913	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M-H+Cl"	33.962126
"936727"	83.028013	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-H+Cl"	33.962126
"280752"	299.157202	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+Cl"	34.969402
"672818"	431.251102	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+Cl"	34.969402
"1284484"	167.063302	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Cl"	34.969402
"28135"	301.136406	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M-2H+K"	36.948606
"466608"	433.230306	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M-2H+K"	36.948606
"846235"	169.042506	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-2H+K"	36.948606
"1569727"	169.042506	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+K-2H"	36.948606
"953596"	177.092094	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-H+HCOOH"	44.998194
"373639"	309.186001	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+HCOOH-H"	44.998201
"357156"	323.201651	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+Hac-H"	59.013851
"1505258"	191.107751	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Hac-H"	59.013851
"972434"	199.074051	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-H+NaCOOH"	66.980151
"123892"	167.063302	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+2Cl"	69.938804
"564182"	233.110252	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+2Cl"	69.938804
"1034802"	101.016352	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2Cl"	69.938804
"1252192"	211.012785	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Br"	78.918885
"1315733"	213.068772	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Cl+HCOOH"	80.974872
"1327032"	235.050729	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Cl+NaCOOH"	102.956829
"922830"	245.079486	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M-H+CF3COOH"	112.985586
"1300273"	281.056164	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Cl+CF3COOH"	148.962264
"1376973"	97.081224	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H-2H2O"	-35.012676
"1394107"	115.0912	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H-H2O"	-17.0027
"294156"	265.195076	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+H"	1.007276
"687671"	397.288976	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+H"	1.007276
"1361109"	133.101176	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H"	1.007276
"134000"	133.101176	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+2H"	2.014552
"572101"	199.148126	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+2H"	2.014552
"1045271"	67.054226	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2H"	2.014552
"214272"	89.069876	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+3H"	3.021828
"654927"	133.101176	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+3H"	3.021828
"1173052"	45.038576	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+3H"	3.021828
"434137"	282.221623	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+NH4"	18.033823
"796224"	414.315523	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+NH4"	18.033823
"1690363"	150.127723	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+NH4"	18.033823
"338640"	141.6144495	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+H+NH4"	19.041099
"731061"	207.6613995	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+H+NH4"	19.041099
"1482701"	75.5674995	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H+NH4"	19.041099
"399189"	287.177018	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+Na"	22.989218
"757994"	419.270918	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+Na"	22.989218
"1608287"	155.083118	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Na"	22.989218
"322691"	144.092147	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+H+Na"	23.996494
"716208"	210.139097	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+H+Na"	23.996494
"1466745"	78.045197	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H+Na"	23.996494
"1062187"	52.36589	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2H+Na"	25.00377
"1264593"	165.127386	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+CH3OH+H"	33.033486
"386446"	303.150958	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+K"	38.963158
"747442"	435.244858	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+K"	38.963158
"1552059"	171.057058	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+K"	38.963158
"311420"	152.079117	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+H+K"	39.970434
"704935"	218.126067	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+H+K"	39.970434
"1459485"	86.032167	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H+K"	39.970434
"247361"	306.221626	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+ACN+H"	42.033826
"1225011"	174.127726	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+ACN+H"	42.033826
"1207228"	87.567501	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+ACN+2H"	43.041102
"203261"	309.15896	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+2Na-H"	44.97116
"641848"	441.25286	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+2Na-H"	44.97116
"1142071"	177.06506	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2Na-H"	44.97116
"177707"	155.083118	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+2Na"	45.978436
"621641"	221.130068	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+2Na"	45.978436
"1120406"	89.036168	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2Na"	45.978436
"1413048"	59.693204	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H+2Na"	46.985712
"1440788"	179.106646	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H+HCOOH"	47.012746
"232672"	160.11614	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+3H2O+2H"	56.04448
"1523287"	193.15869	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+IsoProp+H"	61.06479
"421513"	163.070088	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+Na+K"	61.952376
"779224"	229.117038	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+Na+K"	61.952376
"1674465"	97.023138	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Na+K"	61.952376
"258798"	328.203568	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+ACN+Na"	64.015768
"1235882"	196.109668	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+ACN+Na"	64.015768
"1722218"	196.133193	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+NH4+HCOOH"	64.039293
"1185752"	67.020518	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+3Na"	68.967654
"1652365"	201.088588	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Na+HCOOH"	68.994688
"161414"	341.10684	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+2K-H"	76.91904
"608631"	473.20074	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+2K-H"	76.91904
"1099108"	209.01294	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2K-H"	76.91904
"154341"	171.057058	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"2M+2K"	77.926316
"592808"	237.104008	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"3M+2K"	77.926316
"1080600"	105.010108	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2K"	77.926316
"1111621"	211.027492	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2K+H"	78.933592
"1349472"	211.115107	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+DMSO+H"	79.021207
"1018732"	215.154276	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2ACN+H"	83.060376
"1538315"	216.147908	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+IsoProp+Na+H"	84.054008
"1004396"	108.080776	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+2ACN+2H"	84.067652
"1599992"	217.062528	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+K+HCOOH"	84.968628
"1427839"	247.094038	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+H+CF3COOH"	115.000138
"1160315"	128.594051	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+3ACN+2H"	125.094202
"1709866"	264.120585	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+NH4+CF3COOH"	132.026685
"1643325"	269.07598	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+Na+CF3COOH"	136.98208
"1572415"	285.04992	"C14114"	"Tetralin;1234-Tetrahydronaphthalene"	"C10H12"	"132.0939"	"M+K+CF3COOH"	152.95602
"802782"	258.0892	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M"	0
"974731"	239.07081	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"71119"	171.052190666667	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"505212"	257.081924	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"892498"	85.0224573333333	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"10340"	257.081924	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"454157"	386.126524	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"829895"	128.037324	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"89886"	515.171124	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"526165"	773.260324	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"907248"	257.081924	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"56156"	532.197671	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"496809"	790.286871	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"874612"	274.108471	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"37044"	537.153066	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"479886"	795.242266	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"850033"	279.063866	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1628322"	279.063866	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"107039"	275.070263	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"538944"	404.114863	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"937930"	146.025663	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"282240"	551.147802	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"674021"	809.237002	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1288284"	293.058602	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"29338"	553.127006	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"466718"	811.216206	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"845252"	295.037806	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1566918"	295.037806	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"952613"	303.087394	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"371198"	561.176601	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"356900"	575.192251	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1504639"	317.103051	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"972178"	325.069351	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"122179"	293.058602	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"564292"	422.103202	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1033819"	164.014002	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1254489"	337.008085	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1313655"	339.064072	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1326778"	361.046029	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"922211"	371.074786	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1301476"	407.051464	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1375990"	223.076524	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1393488"	241.0865	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"294995"	517.185676	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"687056"	775.274876	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1362311"	259.096476	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"136295"	259.096476	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"575855"	388.141076	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1045381"	130.051876	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"213288"	173.066742666667	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"652849"	259.096476	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1172067"	87.0370093333333	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"433153"	534.212223	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"795240"	792.301423	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1688286"	276.123023	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"335470"	267.6097495	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"730077"	396.6543495	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1481708"	138.5651495	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"400391"	539.167618	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"757010"	797.256818	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1610581"	281.078418	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"323894"	270.087447	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"717410"	399.132047	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1463939"	141.042847	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1060101"	94.3643233333333	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1268348"	291.122686	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"386919"	555.141558	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"749009"	813.230758	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1554233"	297.052358	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"311530"	278.074417	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"705043"	407.119017	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1458866"	149.029817	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"247470"	558.212226	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1223944"	300.123026	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1206245"	150.565151	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"202034"	561.14956	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"642320"	819.23876	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1142181"	303.06036	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"180003"	281.078418	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"621751"	410.123018	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1120880"	152.033818	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1410243"	101.691637333333	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1439806"	305.101946	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"230232"	286.11144	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1519754"	319.15399	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"420895"	289.065388	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"780427"	418.109988	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1673479"	160.020788	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"256717"	580.194168	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1235261"	322.104968	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1720502"	322.128493	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1186591"	109.018951333333	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1653568"	327.083888	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"161521"	593.09744	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"602179"	851.18664	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1094348"	335.00824	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"154449"	297.052358	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"594011"	426.096958	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1081803"	168.007758	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1112703"	337.022792	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1349095"	337.110407	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1018842"	341.149576	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1537938"	342.143208	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1003413"	171.078426	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1600102"	343.057828	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1427949"	373.089338	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1161762"	191.591701	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1712162"	390.115885	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1643435"	395.07128	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1572525"	411.04522	"C14115"	"2-Naphtylmethylsuccinic acid;Naphthyl-2-methyl-succinic acid"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"809454"	1007.1939	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M"	0
"975446"	988.17551	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-H2O-H"	-19.01839
"71229"	670.455324	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M-3H"	-3.021828
"514070"	1006.186624	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M-3H"	-3.021828
"891879"	334.724024	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-3H"	-3.021828
"11546"	1006.186624	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M-2H"	-2.014552
"453296"	1509.783574	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M-2H"	-2.014552
"830735"	502.589674	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-2H"	-2.014552
"92185"	2013.380524	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M-H"	-1.007276
"528462"	3020.574424	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M-H"	-1.007276
"907358"	1006.186624	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-H"	-1.007276
"58453"	2030.407071	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M-2H+NH4"	16.019271
"500078"	3037.600971	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M-2H+NH4"	16.019271
"874722"	1023.213171	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-2H+NH4"	16.019271
"38612"	2035.362466	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M-2H+Na"	20.974666
"479996"	3042.556366	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M-2H+Na"	20.974666
"855609"	1028.168566	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-2H+Na"	20.974666
"1633783"	1028.168566	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Na-2H"	20.974666
"109582"	1024.174963	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M-H+Cl"	33.962126
"549268"	1527.771913	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M-H+Cl"	33.962126
"936947"	520.578013	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-H+Cl"	33.962126
"280972"	2049.357202	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+Cl"	34.969402
"671944"	3056.551102	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+Cl"	34.969402
"1286891"	1042.163302	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Cl"	34.969402
"26169"	2051.336406	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M-2H+K"	36.948606
"469015"	3058.530306	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M-2H+K"	36.948606
"846453"	1044.142506	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-2H+K"	36.948606
"1567026"	1044.142506	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+K-2H"	36.948606
"951630"	1052.192094	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-H+HCOOH"	44.998194
"371672"	2059.386001	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+HCOOH-H"	44.998201
"355555"	2073.401651	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+Hac-H"	59.013851
"1502564"	1066.207751	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Hac-H"	59.013851
"969740"	1074.174051	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-H+NaCOOH"	66.980151
"120471"	1042.163302	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+2Cl"	69.938804
"563673"	1545.760252	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+2Cl"	69.938804
"1030649"	538.566352	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2Cl"	69.938804
"1253506"	1086.112785	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Br"	78.918885
"1310849"	1088.168772	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Cl+HCOOH"	80.974872
"1323606"	1110.150729	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Cl+NaCOOH"	102.956829
"916122"	1120.179486	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M-H+CF3COOH"	112.985586
"1301950"	1156.156164	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Cl+CF3COOH"	148.962264
"1376100"	972.181224	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H-2H2O"	-35.012676
"1394690"	990.1912	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H-H2O"	-17.0027
"293283"	2015.395076	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+H"	1.007276
"683515"	3022.588976	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+H"	1.007276
"1362055"	1008.201176	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H"	1.007276
"138953"	1008.201176	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+2H"	2.014552
"577788"	1511.798126	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+2H"	2.014552
"1047678"	504.604226	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2H"	2.014552
"214489"	672.469876	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+3H"	3.021828
"654052"	1008.201176	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+3H"	3.021828
"1173999"	336.738576	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+3H"	3.021828
"437634"	2032.421623	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+NH4"	18.033823
"796443"	3039.615523	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+NH4"	18.033823
"1691676"	1025.227723	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+NH4"	18.033823
"335578"	1016.7144495	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+H+NH4"	19.041099
"730187"	1520.3113995	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+H+NH4"	19.041099
"1479996"	513.1174995	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H+NH4"	19.041099
"401594"	2037.377018	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+Na"	22.989218
"757120"	3044.570918	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+Na"	22.989218
"1611784"	1030.183118	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Na"	22.989218
"325097"	1019.192147	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+H+Na"	23.996494
"717520"	1522.789097	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+H+Na"	23.996494
"1463685"	515.595197	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H+Na"	23.996494
"1061304"	344.06589	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2H+Na"	25.00377
"1268458"	1040.227386	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+CH3OH+H"	33.033486
"387395"	2053.350958	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+K"	38.963158
"748026"	3060.544858	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+K"	38.963158
"1553859"	1046.157058	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+K"	38.963158
"310547"	1027.179117	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+H+K"	39.970434
"703700"	1530.776067	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+H+K"	39.970434
"1457520"	523.582167	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H+K"	39.970434
"247215"	2056.421626	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+ACN+H"	42.033826
"1223934"	1049.227726	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+ACN+H"	42.033826
"1206357"	525.117501	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+ACN+2H"	43.041102
"201780"	2059.35896	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+2Na-H"	44.97116
"642066"	3066.55286	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+2Na-H"	44.97116
"1144846"	1052.16506	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2Na-H"	44.97116
"184488"	1030.183118	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+2Na"	45.978436
"621861"	1533.780068	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+2Na"	45.978436
"1120990"	526.586168	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2Na"	45.978436
"1407437"	351.393204	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H+2Na"	46.985712
"1437728"	1054.206646	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H+HCOOH"	47.012746
"230342"	1035.21614	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+3H2O+2H"	56.04448
"1516945"	1068.25869	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+IsoProp+H"	61.06479
"420277"	1038.170088	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+Na+K"	61.952376
"779444"	1541.767038	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+Na+K"	61.952376
"1674682"	534.573138	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Na+K"	61.952376
"254640"	2078.403568	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+ACN+Na"	64.015768
"1233914"	1071.209668	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+ACN+Na"	64.015768
"1721342"	1071.233193	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+NH4+HCOOH"	64.039293
"1185972"	358.720518	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+3Na"	68.967654
"1656960"	1076.188588	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Na+HCOOH"	68.994688
"162727"	2091.30684	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+2K-H"	76.91904
"603382"	3098.50074	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+2K-H"	76.91904
"1094458"	1084.11294	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2K-H"	76.91904
"154317"	1046.157058	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"2M+2K"	77.926316
"594122"	1549.754008	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"3M+2K"	77.926316
"1079726"	542.560108	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2K"	77.926316
"1110747"	1086.127492	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2K+H"	78.933592
"1349815"	1086.215107	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+DMSO+H"	79.021207
"1020165"	1090.254276	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2ACN+H"	83.060376
"1537928"	1091.247908	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+IsoProp+Na+H"	84.054008
"1004133"	545.630776	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+2ACN+2H"	84.067652
"1601306"	1092.162528	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+K+HCOOH"	84.968628
"1425873"	1122.194038	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+H+CF3COOH"	115.000138
"1158349"	566.144051	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+3ACN+2H"	125.094202
"1711178"	1139.220585	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+NH4+CF3COOH"	132.026685
"1646826"	1144.17598	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+Na+CF3COOH"	136.98208
"1581383"	1160.14992	"C14116"	"Naphthyl-2-methyl-succinyl-CoA"	"C36H48N7O19P3S"	"1007.1939"	"M+K+CF3COOH"	152.95602
"802637"	1005.1782	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M"	0
"975075"	986.15981	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-H2O-H"	-19.01839
"71339"	669.111524	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M-3H"	-3.021828
"515273"	1004.170924	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M-3H"	-3.021828
"894177"	334.052124	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-3H"	-3.021828
"15423"	1004.170924	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M-2H"	-2.014552
"453406"	1506.760024	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M-2H"	-2.014552
"829752"	501.581824	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-2H"	-2.014552
"92295"	2009.349124	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M-H"	-1.007276
"531852"	3014.527324	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M-H"	-1.007276
"907468"	1004.170924	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-H"	-1.007276
"58563"	2026.375671	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M-2H+NH4"	16.019271
"495933"	3031.553871	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M-2H+NH4"	16.019271
"874832"	1021.197471	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-2H+NH4"	16.019271
"41638"	2031.331066	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M-2H+Na"	20.974666
"480106"	3036.509266	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M-2H+Na"	20.974666
"855719"	1026.152866	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-2H+Na"	20.974666
"1632191"	1026.152866	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Na-2H"	20.974666
"108961"	1022.159263	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M-H+Cl"	33.962126
"548279"	1524.748363	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M-H+Cl"	33.962126
"937056"	519.570163	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-H+Cl"	33.962126
"279988"	2045.325802	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+Cl"	34.969402
"673139"	3050.504002	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+Cl"	34.969402
"1285542"	1040.147602	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Cl"	34.969402
"27372"	2047.305006	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M-2H+K"	36.948606
"465844"	3052.483206	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M-2H+K"	36.948606
"845834"	1042.126806	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-2H+K"	36.948606
"1566043"	1042.126806	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+K-2H"	36.948606
"954655"	1050.176394	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-H+HCOOH"	44.998194
"373600"	2055.354601	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+HCOOH-H"	44.998201
"354936"	2069.370251	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+Hac-H"	59.013851
"1503406"	1064.192051	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Hac-H"	59.013851
"967665"	1072.158351	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-H+NaCOOH"	66.980151
"120217"	1040.147602	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+2Cl"	69.938804
"561597"	1542.736702	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+2Cl"	69.938804
"1031852"	537.558502	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2Cl"	69.938804
"1252523"	1084.097085	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Br"	78.918885
"1310959"	1086.153072	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Cl+HCOOH"	80.974872
"1323716"	1108.135029	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Cl+NaCOOH"	102.956829
"916232"	1118.163786	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M-H+CF3COOH"	112.985586
"1298052"	1154.140464	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Cl+CF3COOH"	148.962264
"1378396"	970.165524	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H-2H2O"	-35.012676
"1393707"	988.1755	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H-H2O"	-17.0027
"291207"	2011.363676	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+H"	1.007276
"683625"	3016.541876	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+H"	1.007276
"1358884"	1006.185476	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H"	1.007276
"130677"	1006.185476	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+2H"	2.014552
"569147"	1508.774576	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+2H"	2.014552
"1040132"	503.596376	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2H"	2.014552
"212412"	671.126076	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+3H"	3.021828
"655254"	1006.185476	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+3H"	3.021828
"1175567"	336.066676	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+3H"	3.021828
"439564"	2028.390223	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+NH4"	18.033823
"799829"	3033.568423	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+NH4"	18.033823
"1692879"	1023.212023	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+NH4"	18.033823
"334595"	1014.6987495	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+H+NH4"	19.041099
"730297"	1517.2878495	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+H+NH4"	19.041099
"1481928"	512.1096495	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H+NH4"	19.041099
"402797"	2033.345618	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+Na"	22.989218
"757230"	3038.523818	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+Na"	22.989218
"1614080"	1028.167418	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Na"	22.989218
"325207"	1017.176447	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+H+Na"	23.996494
"717630"	1519.765547	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+H+Na"	23.996494
"1462823"	514.587347	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H+Na"	23.996494
"1058134"	343.39399	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2H+Na"	25.00377
"1270754"	1038.211686	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+CH3OH+H"	33.033486
"387138"	2049.319558	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+K"	38.963158
"749229"	3054.497758	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+K"	38.963158
"1553846"	1044.141358	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+K"	38.963158
"311750"	1025.163417	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+H+K"	39.970434
"704175"	1527.752517	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+H+K"	39.970434
"1458722"	522.574317	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H+K"	39.970434
"248419"	2052.390226	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+ACN+H"	42.033826
"1222583"	1047.212026	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+ACN+H"	42.033826
"1208896"	524.109651	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+ACN+2H"	43.041102
"202251"	2055.32756	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+2Na-H"	44.97116
"643148"	3060.50576	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+2Na-H"	44.97116
"1144225"	1050.14936	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2Na-H"	44.97116
"184234"	1028.167418	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+2Na"	45.978436
"621971"	1530.756518	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+2Na"	45.978436
"1120372"	525.578318	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2Na"	45.978436
"1409003"	350.721304	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H+2Na"	46.985712
"1437838"	1052.190946	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H+HCOOH"	47.012746
"229723"	1033.20044	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+3H2O+2H"	56.04448
"1516690"	1066.24299	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+IsoProp+H"	61.06479
"420021"	1036.154388	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+Na+K"	61.952376
"776275"	1538.743488	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+Na+K"	61.952376
"1672606"	533.565288	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Na+K"	61.952376
"255844"	2074.372168	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+ACN+Na"	64.015768
"1228550"	1069.193968	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+ACN+Na"	64.015768
"1717436"	1069.217493	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+NH4+HCOOH"	64.039293
"1186075"	358.048618	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+3Na"	68.967654
"1657070"	1074.172888	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Na+HCOOH"	68.994688
"160648"	2087.27544	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+2K-H"	76.91904
"603492"	3092.45364	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+2K-H"	76.91904
"1095661"	1082.09724	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2K-H"	76.91904
"152483"	1044.141358	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"2M+2K"	77.926316
"592045"	1546.730458	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"3M+2K"	77.926316
"1078743"	541.552258	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2K"	77.926316
"1110857"	1084.111792	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2K+H"	78.933592
"1350654"	1084.199407	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+DMSO+H"	79.021207
"1019666"	1088.238576	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2ACN+H"	83.060376
"1539254"	1089.232208	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+IsoProp+Na+H"	84.054008
"1003271"	544.622926	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+2ACN+2H"	84.067652
"1601294"	1090.146828	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+K+HCOOH"	84.968628
"1428170"	1120.178338	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+H+CF3COOH"	115.000138
"1161375"	565.136201	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+3ACN+2H"	125.094202
"1712018"	1137.204885	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+NH4+CF3COOH"	132.026685
"1646936"	1142.16028	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+Na+CF3COOH"	136.98208
"1581493"	1158.13422	"C14117"	"Naphthyl-2-methylene-succinyl-CoA"	"C36H46N7O19P3S"	"1005.1782"	"M+K+CF3COOH"	152.95602
"802140"	1023.1888	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M"	0
"974343"	1004.17041	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-H2O-H"	-19.01839
"70356"	681.118590666667	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M-3H"	-3.021828
"505542"	1022.181524	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M-3H"	-3.021828
"895015"	340.055657333333	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-3H"	-3.021828
"15411"	1022.181524	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M-2H"	-2.014552
"453515"	1533.775924	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M-2H"	-2.014552
"831683"	510.587124	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-2H"	-2.014552
"93255"	2045.370324	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M-H"	-1.007276
"531962"	3068.559124	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M-H"	-1.007276
"909764"	1022.181524	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-H"	-1.007276
"58672"	2062.396871	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M-2H+NH4"	16.019271
"494950"	3085.585671	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M-2H+NH4"	16.019271
"872753"	1039.208071	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-2H+NH4"	16.019271
"40655"	2067.352266	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M-2H+Na"	20.974666
"475842"	3090.541066	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M-2H+Na"	20.974666
"855829"	1044.163466	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-2H+Na"	20.974666
"1624268"	1044.163466	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Na-2H"	20.974666
"104081"	1040.169863	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M-H+Cl"	33.962126
"544735"	1551.764263	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M-H+Cl"	33.962126
"934978"	528.575463	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-H+Cl"	33.962126
"280827"	2081.347002	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+Cl"	34.969402
"673613"	3104.535802	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+Cl"	34.969402
"1286381"	1058.158202	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Cl"	34.969402
"29670"	2083.326206	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M-2H+K"	36.948606
"468141"	3106.515006	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M-2H+K"	36.948606
"845944"	1060.137406	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-2H+K"	36.948606
"1566153"	1060.137406	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+K-2H"	36.948606
"954036"	1068.186994	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-H+HCOOH"	44.998194
"373345"	2091.375801	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+HCOOH-H"	44.998201
"358691"	2105.391451	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+Hac-H"	59.013851
"1502787"	1082.202651	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Hac-H"	59.013851
"969234"	1090.168951	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-H+NaCOOH"	66.980151
"121055"	1058.158202	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+2Cl"	69.938804
"561708"	1569.752602	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+2Cl"	69.938804
"1029776"	546.563802	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2Cl"	69.938804
"1250083"	1102.107685	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Br"	78.918885
"1313985"	1104.163672	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Cl+HCOOH"	80.974872
"1322733"	1126.145629	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Cl+NaCOOH"	102.956829
"915978"	1136.174386	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M-H+CF3COOH"	112.985586
"1298164"	1172.151064	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Cl+CF3COOH"	148.962264
"1375227"	988.176124	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H-2H2O"	-35.012676
"1391631"	1006.1861	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H-H2O"	-17.0027
"291317"	2047.384876	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+H"	1.007276
"682642"	3070.573676	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+H"	1.007276
"1358991"	1024.196076	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H"	1.007276
"128231"	1024.196076	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+2H"	2.014552
"570350"	1535.790476	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+2H"	2.014552
"1041700"	512.601676	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2H"	2.014552
"215803"	683.133142666667	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+3H"	3.021828
"653908"	1024.196076	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+3H"	3.021828
"1174219"	342.070209333333	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+3H"	3.021828
"437124"	2064.411423	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+NH4"	18.033823
"798846"	3087.600223	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+NH4"	18.033823
"1689709"	1041.222623	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+NH4"	18.033823
"334705"	1032.7093495	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+H+NH4"	19.041099
"728220"	1544.3037495	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+H+NH4"	19.041099
"1479852"	521.1149495	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H+NH4"	19.041099
"400721"	2069.366818	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+Na"	22.989218
"754585"	3092.555618	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+Na"	22.989218
"1612004"	1046.178018	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Na"	22.989218
"324224"	1035.187047	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+H+Na"	23.996494
"715554"	1546.781447	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+H+Na"	23.996494
"1463176"	523.592647	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H+Na"	23.996494
"1058244"	349.397523333333	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2H+Na"	25.00377
"1270499"	1056.222286	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+CH3OH+H"	33.033486
"387248"	2085.340758	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+K"	38.963158
"748246"	3108.529558	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+K"	38.963158
"1553590"	1062.151958	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+K"	38.963158
"312225"	1043.174017	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+H+K"	39.970434
"706106"	1554.768417	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+H+K"	39.970434
"1460289"	531.579617	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H+K"	39.970434
"250714"	2088.411426	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+ACN+H"	42.033826
"1223784"	1065.222626	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+ACN+H"	42.033826
"1202199"	533.114951	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+ACN+2H"	43.041102
"197985"	2091.34876	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+2Na-H"	44.97116
"636812"	3114.53756	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+2Na-H"	44.97116
"1144337"	1068.15996	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2Na-H"	44.97116
"183615"	1046.178018	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+2Na"	45.978436
"622081"	1557.772418	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+2Na"	45.978436
"1118416"	534.583618	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2Na"	45.978436
"1410936"	356.724837333333	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H+2Na"	46.985712
"1437948"	1070.201546	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H+HCOOH"	47.012746
"229832"	1051.21104	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+3H2O+2H"	56.04448
"1516800"	1084.25359	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+IsoProp+H"	61.06479
"418673"	1054.164988	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+Na+K"	61.952376
"775292"	1565.759388	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+Na+K"	61.952376
"1669437"	542.570588	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Na+K"	61.952376
"254861"	2110.393368	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+ACN+Na"	64.015768
"1229753"	1087.204568	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+ACN+Na"	64.015768
"1718640"	1087.228093	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+NH4+HCOOH"	64.039293
"1182906"	364.052151333333	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+3Na"	68.967654
"1658273"	1092.183488	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Na+HCOOH"	68.994688
"161851"	2123.29664	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+2K-H"	76.91904
"603602"	3146.48544	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+2K-H"	76.91904
"1092492"	1100.10784	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2K-H"	76.91904
"152593"	1062.151958	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"2M+2K"	77.926316
"587779"	1573.746358	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"3M+2K"	77.926316
"1077760"	550.557558	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2K"	77.926316
"1110967"	1102.122392	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2K+H"	78.933592
"1350969"	1102.210007	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+DMSO+H"	79.021207
"1020139"	1106.249176	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2ACN+H"	83.060376
"1539004"	1107.242808	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+IsoProp+Na+H"	84.054008
"1003867"	553.628226	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+2ACN+2H"	84.067652
"1602134"	1108.157428	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+K+HCOOH"	84.968628
"1428277"	1138.188938	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+H+CF3COOH"	115.000138
"1162756"	574.141501	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+3ACN+2H"	125.094202
"1710306"	1155.215485	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+NH4+CF3COOH"	132.026685
"1647046"	1160.17088	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+Na+CF3COOH"	136.98208
"1581603"	1176.14482	"C14118"	"Naphthyl-2-hydroxymethyl-succinyl CoA"	"C36H48N7O20P3S"	"1023.1888"	"M+K+CF3COOH"	152.95602
"805409"	1021.1731	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M"	0
"974566"	1002.15471	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-H2O-H"	-19.01839
"70466"	679.774790666667	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M-3H"	-3.021828
"505652"	1020.165824	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M-3H"	-3.021828
"894396"	339.383757333333	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-3H"	-3.021828
"12606"	1020.165824	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M-2H"	-2.014552
"450345"	1530.752374	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M-2H"	-2.014552
"828146"	509.579274	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-2H"	-2.014552
"90324"	2041.338924	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M-H"	-1.007276
"525509"	3062.512024	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M-H"	-1.007276
"900028"	1020.165824	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-H"	-1.007276
"54406"	2058.365471	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M-2H+NH4"	16.019271
"489589"	3079.538571	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M-2H+NH4"	16.019271
"868851"	1037.192371	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-2H+NH4"	16.019271
"36386"	2063.320866	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M-2H+Na"	20.974666
"479231"	3084.493966	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M-2H+Na"	20.974666
"857033"	1042.147766	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-2H+Na"	20.974666
"1627657"	1042.147766	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Na-2H"	20.974666
"100911"	1038.154163	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M-H+Cl"	33.962126
"544845"	1548.740713	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M-H+Cl"	33.962126
"940553"	527.567613	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-H+Cl"	33.962126
"275829"	2077.315602	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+Cl"	34.969402
"670439"	3098.488702	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+Cl"	34.969402
"1285762"	1056.142502	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Cl"	34.969402
"29052"	2079.294806	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M-2H+K"	36.948606
"469708"	3100.467906	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M-2H+K"	36.948606
"846785"	1058.121706	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-2H+K"	36.948606
"1566263"	1058.121706	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+K-2H"	36.948606
"955968"	1066.171294	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-H+HCOOH"	44.998194
"374184"	2087.344401	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+HCOOH-H"	44.998201
"359163"	2101.360051	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+Hac-H"	59.013851
"1504353"	1080.186951	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Hac-H"	59.013851
"969343"	1088.153251	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-H+NaCOOH"	66.980151
"122259"	1056.142502	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+2Cl"	69.938804
"560724"	1566.729052	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+2Cl"	69.938804
"1029886"	545.555952	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2Cl"	69.938804
"1250556"	1100.091985	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Br"	78.918885
"1313002"	1102.147972	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Cl+HCOOH"	80.974872
"1323207"	1124.129929	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Cl+NaCOOH"	102.956829
"914628"	1134.158686	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M-H+CF3COOH"	112.985586
"1299363"	1170.135364	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Cl+CF3COOH"	148.962264
"1373148"	986.160424	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H-2H2O"	-35.012676
"1393928"	1004.1704	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H-H2O"	-17.0027
"291426"	2043.353476	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+H"	1.007276
"679473"	3064.526576	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+H"	1.007276
"1356916"	1022.180376	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H"	1.007276
"126521"	1022.180376	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+2H"	2.014552
"570460"	1532.766926	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+2H"	2.014552
"1039987"	511.593826	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2H"	2.014552
"210446"	681.789342666667	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+3H"	3.021828
"653285"	1022.180376	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+3H"	3.021828
"1174690"	341.398309333333	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+3H"	3.021828
"431400"	2060.380023	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+NH4"	18.033823
"795676"	3081.553123	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+NH4"	18.033823
"1688725"	1039.206923	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+NH4"	18.033823
"334815"	1030.6936495	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+H+NH4"	19.041099
"724313"	1541.2801995	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+H+NH4"	19.041099
"1478499"	520.1070995	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H+NH4"	19.041099
"395362"	2065.335418	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+Na"	22.989218
"754228"	3086.508518	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+Na"	22.989218
"1607736"	1044.162318	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Na"	22.989218
"314293"	1033.171347	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+H+Na"	23.996494
"712382"	1543.757897	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+H+Na"	23.996494
"1461489"	522.584797	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H+Na"	23.996494
"1052791"	348.725623333333	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2H+Na"	25.00377
"1269880"	1054.206586	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+CH3OH+H"	33.033486
"384078"	2081.309358	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+K"	38.963158
"748356"	3102.482458	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+K"	38.963158
"1552972"	1060.136258	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+K"	38.963158
"311606"	1041.158317	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+H+K"	39.970434
"705852"	1551.744867	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+H+K"	39.970434
"1461009"	530.571767	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H+K"	39.970434
"247910"	2084.380026	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+ACN+H"	42.033826
"1223166"	1063.206926	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+ACN+H"	42.033826
"1202309"	532.107101	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+ACN+2H"	43.041102
"196273"	2087.31736	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+2Na-H"	44.97116
"636923"	3108.49046	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+2Na-H"	44.97116
"1143354"	1066.14426	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2Na-H"	44.97116
"181539"	1044.162318	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+2Na"	45.978436
"618911"	1554.748868	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+2Na"	45.978436
"1118040"	533.575768	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2Na"	45.978436
"1410682"	356.052937333333	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H+2Na"	46.985712
"1438058"	1068.185846	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H+HCOOH"	47.012746
"227755"	1049.19534	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+3H2O+2H"	56.04448
"1519098"	1082.23789	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+IsoProp+H"	61.06479
"417690"	1052.149288	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+Na+K"	61.952376
"775403"	1562.735838	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+Na+K"	61.952376
"1669546"	541.562738	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Na+K"	61.952376
"257521"	2106.361968	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+ACN+Na"	64.015768
"1230228"	1085.188868	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+ACN+Na"	64.015768
"1719114"	1085.212393	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+NH4+HCOOH"	64.039293
"1185568"	363.380251333333	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+3Na"	68.967654
"1656197"	1090.167788	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Na+HCOOH"	68.994688
"160868"	2119.26524	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+2K-H"	76.91904
"603713"	3140.43834	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+2K-H"	76.91904
"1093695"	1098.09214	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2K-H"	76.91904
"152703"	1060.136258	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"2M+2K"	77.926316
"590076"	1570.722808	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"3M+2K"	77.926316
"1077870"	549.549708	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2K"	77.926316
"1111077"	1100.106692	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2K+H"	78.933592
"1351283"	1100.194307	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+DMSO+H"	79.021207
"1017090"	1104.233476	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2ACN+H"	83.060376
"1539596"	1105.227108	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+IsoProp+Na+H"	84.054008
"1005477"	552.620376	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+2ACN+2H"	84.067652
"1602658"	1106.141728	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+K+HCOOH"	84.968628
"1429116"	1136.173238	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+H+CF3COOH"	115.000138
"1161838"	573.133651	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+3ACN+2H"	125.094202
"1711510"	1153.199785	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+NH4+CF3COOH"	132.026685
"1648250"	1158.15518	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+Na+CF3COOH"	136.98208
"1576245"	1174.12912	"C14119"	"Naphthyl-2-oxomethyl-succinyl-CoA"	"C36H46N7O20P3S"	"1021.1731"	"M+K+CF3COOH"	152.95602
"802603"	921.1571	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M"	0
"975401"	902.13871	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-H2O-H"	-19.01839
"68389"	613.097457333333	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M-3H"	-3.021828
"505762"	920.149824	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M-3H"	-3.021828
"893048"	306.045090666667	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-3H"	-3.021828
"14173"	920.149824	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M-2H"	-2.014552
"450456"	1380.728374	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M-2H"	-2.014552
"828256"	459.571274	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-2H"	-2.014552
"90434"	1841.306924	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M-H"	-1.007276
"526712"	2762.464024	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M-H"	-1.007276
"900138"	920.149824	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-H"	-1.007276
"54516"	1858.333471	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M-2H+NH4"	16.019271
"492982"	2779.490571	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M-2H+NH4"	16.019271
"872972"	937.176371	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-2H+NH4"	16.019271
"35401"	1863.288866	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M-2H+Na"	20.974666
"477155"	2784.445966	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M-2H+Na"	20.974666
"857143"	942.131766	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-2H+Na"	20.974666
"1624487"	942.131766	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Na-2H"	20.974666
"97742"	938.138163	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M-H+Cl"	33.962126
"544957"	1398.716713	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M-H+Cl"	33.962126
"938479"	477.559613	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-H+Cl"	33.962126
"278129"	1877.283602	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+Cl"	34.969402
"669454"	2798.440702	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+Cl"	34.969402
"1279674"	956.126502	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Cl"	34.969402
"29524"	1879.262806	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M-2H+K"	36.948606
"469818"	2800.419906	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M-2H+K"	36.948606
"847991"	958.105706	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-2H+K"	36.948606
"1571034"	958.105706	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+K-2H"	36.948606
"957900"	966.155294	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-H+HCOOH"	44.998194
"375757"	1887.312401	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+HCOOH-H"	44.998201
"359637"	1901.328051	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+Hac-H"	59.013851
"1504098"	980.170951	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Hac-H"	59.013851
"969818"	988.137251	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-H+NaCOOH"	66.980151
"120548"	956.126502	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+2Cl"	69.938804
"560835"	1416.705052	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+2Cl"	69.938804
"1031089"	495.547952	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2Cl"	69.938804
"1251760"	1000.075985	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Br"	78.918885
"1313112"	1002.131972	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Cl+HCOOH"	80.974872
"1326233"	1024.113929	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Cl+NaCOOH"	102.956829
"915832"	1034.142686	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M-H+CF3COOH"	112.985586
"1300567"	1070.119364	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Cl+CF3COOH"	148.962264
"1369978"	886.144424	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H-2H2O"	-35.012676
"1391849"	904.1544	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H-H2O"	-17.0027
"292629"	1843.321476	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+H"	1.007276
"679583"	2764.478576	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+H"	1.007276
"1357026"	922.164376	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H"	1.007276
"131007"	922.164376	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+2H"	2.014552
"570570"	1382.742926	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+2H"	2.014552
"1042651"	461.585826	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2H"	2.014552
"211649"	615.112009333333	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+3H"	3.021828
"654125"	922.164376	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+3H"	3.021828
"1167146"	308.059642666667	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+3H"	3.021828
"429323"	1860.348023	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+NH4"	18.033823
"791411"	2781.505123	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+NH4"	18.033823
"1683001"	939.190923	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+NH4"	18.033823
"332738"	930.6776495	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+H+NH4"	19.041099
"723937"	1391.2561995	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+H+NH4"	19.041099
"1477881"	470.0990995	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H+NH4"	19.041099
"393643"	1865.303418	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+Na"	22.989218
"755731"	2786.460518	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+Na"	22.989218
"1606013"	944.146318	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Na"	22.989218
"314676"	933.155347	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+H+Na"	23.996494
"712492"	1393.733897	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+H+Na"	23.996494
"1461810"	472.576797	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H+Na"	23.996494
"1053111"	315.386956666667	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2H+Na"	25.00377
"1267803"	954.190586	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+CH3OH+H"	33.033486
"380908"	1881.277358	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+K"	38.963158
"746280"	2802.434458	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+K"	38.963158
"1555566"	960.120258	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+K"	38.963158
"313539"	941.142317	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+H+K"	39.970434
"705599"	1401.720867	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+H+K"	39.970434
"1461041"	480.563767	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H+K"	39.970434
"249478"	1884.348026	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+ACN+H"	42.033826
"1223155"	963.190926	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+ACN+H"	42.033826
"1200233"	482.099101	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+ACN+2H"	43.041102
"194561"	1887.28536	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+2Na-H"	44.97116
"639221"	2808.44246	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+2Na-H"	44.97116
"1143099"	966.12826	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2Na-H"	44.97116
"181649"	944.146318	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+2Na"	45.978436
"619021"	1404.724868	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+2Na"	45.978436
"1117907"	483.567768	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2Na"	45.978436
"1411523"	322.714270666667	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H+2Na"	46.985712
"1441448"	968.169846	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H+HCOOH"	47.012746
"232240"	949.17934	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+3H2O+2H"	56.04448
"1517020"	982.22189	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+IsoProp+H"	61.06479
"419988"	952.133288	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+Na+K"	61.952376
"777701"	1412.711838	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+Na+K"	61.952376
"1668564"	491.554738	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Na+K"	61.952376
"256175"	1906.329968	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+ACN+Na"	64.015768
"1230338"	985.172868	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+ACN+Na"	64.015768
"1719224"	985.196393	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+NH4+HCOOH"	64.039293
"1185313"	330.041584666667	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+3Na"	68.967654
"1654121"	990.151788	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Na+HCOOH"	68.994688
"160249"	1919.23324	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+2K-H"	76.91904
"603823"	2840.39034	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+2K-H"	76.91904
"1091619"	998.07614	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2K-H"	76.91904
"151720"	960.120258	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"2M+2K"	77.926316
"591279"	1420.698808	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"3M+2K"	77.926316
"1079073"	499.541708	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2K"	77.926316
"1111186"	1000.090692	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2K+H"	78.933592
"1351191"	1000.178307	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+DMSO+H"	79.021207
"1017200"	1004.217476	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2ACN+H"	83.060376
"1535324"	1005.211108	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+IsoProp+Na+H"	84.054008
"1005547"	502.612376	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+2ACN+2H"	84.067652
"1602519"	1006.125728	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+K+HCOOH"	84.968628
"1429469"	1036.157238	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+H+CF3COOH"	115.000138
"1161706"	523.125651	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+3ACN+2H"	125.094202
"1711620"	1053.183785	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+NH4+CF3COOH"	132.026685
"1647268"	1058.13918	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+Na+CF3COOH"	136.98208
"1581823"	1074.11312	"C14120"	"2-Naphthoyl-CoA"	"C32H42N7O17P3S"	"921.1571"	"M+K+CF3COOH"	152.95602
"802470"	490.1708	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M"	0
"974539"	471.15241	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-H2O-H"	-19.01839
"68499"	325.773257333333	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M-3H"	-3.021828
"504046"	489.163524	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M-3H"	-3.021828
"894979"	162.382990666667	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-3H"	-3.021828
"14280"	489.163524	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M-2H"	-2.014552
"452752"	734.248924	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M-2H"	-2.014552
"828366"	244.078124	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-2H"	-2.014552
"90544"	979.334324	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M-H"	-1.007276
"526822"	1469.505124	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M-H"	-1.007276
"900248"	489.163524	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-H"	-1.007276
"55719"	996.360871	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M-2H+NH4"	16.019271
"494185"	1486.531671	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M-2H+NH4"	16.019271
"871989"	506.190071	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-2H+NH4"	16.019271
"33323"	1001.316266	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M-2H+Na"	20.974666
"478358"	1491.487066	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M-2H+Na"	20.974666
"859439"	511.145466	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-2H+Na"	20.974666
"1624597"	511.145466	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Na-2H"	20.974666
"97852"	507.151863	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M-H+Cl"	33.962126
"541787"	752.237263	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M-H+Cl"	33.962126
"940049"	262.066463	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-H+Cl"	33.962126
"278971"	1015.311002	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+Cl"	34.969402
"668471"	1505.481802	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+Cl"	34.969402
"1279784"	525.140202	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Cl"	34.969402
"21246"	1017.290206	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M-2H+K"	36.948606
"467741"	1507.461006	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M-2H+K"	36.948606
"848221"	527.119406	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-2H+K"	36.948606
"1568305"	527.119406	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+K-2H"	36.948606
"956917"	535.168994	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-H+HCOOH"	44.998194
"374772"	1025.339801	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+HCOOH-H"	44.998201
"360479"	1039.355451	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+Hac-H"	59.013851
"1505665"	549.184651	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Hac-H"	59.013851
"971750"	557.150951	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-H+NaCOOH"	66.980151
"122478"	525.140202	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+2Cl"	69.938804
"559850"	770.225602	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+2Cl"	69.938804
"1030103"	280.054802	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2Cl"	69.938804
"1250774"	569.089685	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Br"	78.918885
"1313221"	571.145672	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Cl+HCOOH"	80.974872
"1326343"	593.127629	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Cl+NaCOOH"	102.956829
"916308"	603.156386	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M-H+CF3COOH"	112.985586
"1299584"	639.133064	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Cl+CF3COOH"	148.962264
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"1393052"	473.1681	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H-H2O"	-17.0027
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"684065"	1471.519676	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+H"	1.007276
"1360416"	491.178076	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H"	1.007276
"132210"	491.178076	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+2H"	2.014552
"571773"	736.263476	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+2H"	2.014552
"1042761"	246.092676	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2H"	2.014552
"212852"	327.787809333333	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+3H"	3.021828
"653142"	491.178076	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+3H"	3.021828
"1169443"	164.397542666667	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+3H"	3.021828
"430526"	998.375423	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+NH4"	18.033823
"792614"	1488.546223	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+NH4"	18.033823
"1683475"	508.204623	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+NH4"	18.033823
"333212"	499.6913495	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+H+NH4"	19.041099
"725264"	744.7767495	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+H+NH4"	19.041099
"1478111"	254.6059495	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H+NH4"	19.041099
"393629"	1003.330818	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+Na"	22.989218
"755111"	1493.501618	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+Na"	22.989218
"1604666"	513.160018	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Na"	22.989218
"314949"	502.169047	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+H+Na"	23.996494
"712602"	747.254447	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+H+Na"	23.996494
"1461760"	257.083647	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H+Na"	23.996494
"1054555"	171.724856666667	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2H+Na"	25.00377
"1257453"	523.204286	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+CH3OH+H"	33.033486
"381018"	1019.304758	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+K"	38.963158
"745296"	1509.475558	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+K"	38.963158
"1555103"	529.133958	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+K"	38.963158
"313411"	510.156017	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+H+K"	39.970434
"706197"	755.241417	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+H+K"	39.970434
"1459774"	265.070617	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H+K"	39.970434
"249952"	1022.375426	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+ACN+H"	42.033826
"1223750"	532.204626	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+ACN+H"	42.033826
"1201436"	266.605951	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+ACN+2H"	43.041102
"194307"	1025.31276	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+2Na-H"	44.97116
"640424"	1515.48356	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+2Na-H"	44.97116
"1144667"	535.14196	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2Na-H"	44.97116
"182852"	513.160018	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+2Na"	45.978436
"618038"	758.245418	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+2Na"	45.978436
"1119720"	268.074618	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2Na"	45.978436
"1411996"	179.052170666667	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H+2Na"	46.985712
"1441558"	537.183546	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H+HCOOH"	47.012746
"231621"	518.19304	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+3H2O+2H"	56.04448
"1518223"	551.23559	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+IsoProp+H"	61.06479
"415722"	521.146988	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+Na+K"	61.952376
"778904"	766.232388	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+Na+K"	61.952376
"1669767"	276.061588	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Na+K"	61.952376
"256647"	1044.357368	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+ACN+Na"	64.015768
"1231542"	554.186568	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+ACN+Na"	64.015768
"1717513"	554.210093	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+NH4+HCOOH"	64.039293
"1184327"	186.379484666667	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+3Na"	68.967654
"1654231"	559.165488	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Na+HCOOH"	68.994688
"159995"	1057.26064	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+2K-H"	76.91904
"603933"	1547.43144	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+2K-H"	76.91904
"1092822"	567.08984	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2K-H"	76.91904
"151830"	529.133958	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"2M+2K"	77.926316
"592481"	774.219358	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"3M+2K"	77.926316
"1079183"	284.048558	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2K"	77.926316
"1111296"	569.104392	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2K+H"	78.933592
"1350727"	569.192007	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+DMSO+H"	79.021207
"1018403"	573.231176	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2ACN+H"	83.060376
"1534341"	574.224808	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+IsoProp+Na+H"	84.054008
"1005561"	287.119226	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+2ACN+2H"	84.067652
"1602504"	575.139428	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+K+HCOOH"	84.968628
"1429700"	605.170938	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+H+CF3COOH"	115.000138
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"1711247"	622.197485	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+NH4+CF3COOH"	132.026685
"1647378"	627.15288	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+Na+CF3COOH"	136.98208
"1581933"	643.12682	"C14123"	"BMS-268770"	"C23H30N4O4S2"	"490.1708"	"M+K+CF3COOH"	152.95602
"811207"	563.2236	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M"	0
"975260"	544.20521	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-H2O-H"	-19.01839
"68609"	374.475124	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M-3H"	-3.021828
"505982"	562.216324	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M-3H"	-3.021828
"891441"	186.733924	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-3H"	-3.021828
"11110"	562.216324	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M-2H"	-2.014552
"454806"	843.828124	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M-2H"	-2.014552
"831392"	280.604524	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-2H"	-2.014552
"92477"	1125.439924	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M-H"	-1.007276
"528025"	1688.663524	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M-H"	-1.007276
"900359"	562.216324	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-H"	-1.007276
"49627"	1142.466471	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M-2H+NH4"	16.019271
"494295"	1705.690071	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M-2H+NH4"	16.019271
"873192"	579.242871	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-2H+NH4"	16.019271
"34038"	1147.421866	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M-2H+Na"	20.974666
"480655"	1710.645466	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M-2H+Na"	20.974666
"860279"	584.198266	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-2H+Na"	20.974666
"1627987"	584.198266	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Na-2H"	20.974666
"104523"	580.204663	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M-H+Cl"	33.962126
"544814"	861.816463	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M-H+Cl"	33.962126
"938698"	298.592863	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-H+Cl"	33.962126
"276161"	1161.416602	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+Cl"	34.969402
"669674"	1724.640202	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+Cl"	34.969402
"1277703"	598.193002	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Cl"	34.969402
"29011"	1163.395806	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M-2H+K"	36.948606
"466393"	1726.619406	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M-2H+K"	36.948606
"847478"	600.172206	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-2H+K"	36.948606
"1567683"	600.172206	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+K-2H"	36.948606
"955202"	608.221794	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-H+HCOOH"	44.998194
"375248"	1171.445401	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+HCOOH-H"	44.998201
"359494"	1185.461051	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+Hac-H"	59.013851
"1505776"	622.237451	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Hac-H"	59.013851
"967483"	630.203751	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-H+NaCOOH"	66.980151
"120763"	598.193002	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+2Cl"	69.938804
"560323"	879.804802	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+2Cl"	69.938804
"1029120"	316.581202	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2Cl"	69.938804
"1250884"	642.142485	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Br"	78.918885
"1311145"	644.198472	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Cl+HCOOH"	80.974872
"1326454"	666.180429	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Cl+NaCOOH"	102.956829
"920793"	676.209186	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M-H+CF3COOH"	112.985586
"1301881"	712.185864	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Cl+CF3COOH"	148.962264
"1371655"	528.210924	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H-2H2O"	-35.012676
"1395716"	546.2209	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H-H2O"	-17.0027
"291755"	1127.454476	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+H"	1.007276
"684175"	1690.678076	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+H"	1.007276
"1357247"	564.230876	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H"	1.007276
"134509"	564.230876	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+2H"	2.014552
"571882"	845.842676	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+2H"	2.014552
"1043964"	282.619076	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2H"	2.014552
"208586"	376.489676	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+3H"	3.021828
"650333"	564.230876	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+3H"	3.021828
"1169552"	188.748476	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+3H"	3.021828
"430636"	1144.481023	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+NH4"	18.033823
"791631"	1707.704623	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+NH4"	18.033823
"1683581"	581.257423	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+NH4"	18.033823
"333318"	572.7441495	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+H+NH4"	19.041099
"725372"	854.3559495	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+H+NH4"	19.041099
"1478466"	291.1323495	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H+NH4"	19.041099
"393370"	1149.436418	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+Na"	22.989218
"754486"	1712.660018	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+Na"	22.989218
"1603798"	586.212818	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Na"	22.989218
"314444"	575.221847	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+H+Na"	23.996494
"707839"	856.833647	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+H+Na"	23.996494
"1461785"	293.610047	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H+Na"	23.996494
"1053451"	196.07579	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2H+Na"	25.00377
"1257565"	596.257086	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+CH3OH+H"	33.033486
"381128"	1165.410358	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+K"	38.963158
"746499"	1728.633958	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+K"	38.963158
"1555013"	602.186758	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+K"	38.963158
"313523"	583.208817	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+H+K"	39.970434
"706312"	864.820617	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+H+K"	39.970434
"1460613"	301.597017	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H+K"	39.970434
"250064"	1168.481026	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+ACN+H"	42.033826
"1220944"	605.257426	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+ACN+H"	42.033826
"1205920"	303.132351	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+ACN+2H"	43.041102
"197697"	1171.41836	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+2Na-H"	44.97116
"639441"	1734.64196	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+2Na-H"	44.97116
"1141859"	608.19476	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2Na-H"	44.97116
"182962"	586.212818	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+2Na"	45.978436
"618148"	867.824618	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+2Na"	45.978436
"1121654"	304.601018	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2Na"	45.978436
"1412957"	203.403104	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H+2Na"	46.985712
"1443372"	610.236346	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H+HCOOH"	47.012746
"232829"	591.24584	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+3H2O+2H"	56.04448
"1522588"	624.28839	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+IsoProp+H"	61.06479
"415832"	594.199788	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+Na+K"	61.952376
"779013"	875.811588	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+Na+K"	61.952376
"1672064"	312.587988	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Na+K"	61.952376
"256396"	1190.462968	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+ACN+Na"	64.015768
"1229101"	627.239368	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+ACN+Na"	64.015768
"1717623"	627.262893	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+NH4+HCOOH"	64.039293
"1184438"	210.730418	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+3Na"	68.967654
"1657620"	632.218288	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Na+HCOOH"	68.994688
"161198"	1203.36624	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+2K-H"	76.91904
"604042"	1766.58984	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+2K-H"	76.91904
"1094025"	640.14264	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2K-H"	76.91904
"156801"	602.186758	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"2M+2K"	77.926316
"594777"	883.798558	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"3M+2K"	77.926316
"1082818"	320.574958	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2K"	77.926316
"1110313"	642.157192	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2K+H"	78.933592
"1350963"	642.244807	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+DMSO+H"	79.021207
"1019485"	646.283976	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2ACN+H"	83.060376
"1535544"	647.277608	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+IsoProp+Na+H"	84.054008
"1005360"	323.645626	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+2ACN+2H"	84.067652
"1602090"	648.192228	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+K+HCOOH"	84.968628
"1428718"	678.223738	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+H+CF3COOH"	115.000138
"1160470"	344.158901	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+3ACN+2H"	125.094202
"1712205"	695.250285	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+NH4+CF3COOH"	132.026685
"1648581"	700.20568	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+Na+CF3COOH"	136.98208
"1582043"	716.17962	"C14125"	"UR-12947"	"C26H37N5O5S2"	"563.2236"	"M+K+CF3COOH"	152.95602
"805849"	421.0402	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M"	0
"979382"	402.02181	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-H2O-H"	-19.01839
"68719"	279.686190666667	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M-3H"	-3.021828
"506090"	420.032924	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M-3H"	-3.021828
"890458"	139.339457333333	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-3H"	-3.021828
"14500"	420.032924	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M-2H"	-2.014552
"451878"	630.553024	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M-2H"	-2.014552
"826397"	209.512824	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-2H"	-2.014552
"91857"	841.073124	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M-H"	-1.007276
"529229"	1262.113324	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M-H"	-1.007276
"903750"	420.032924	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-H"	-1.007276
"50466"	858.099671	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M-2H+NH4"	16.019271
"494405"	1279.139871	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M-2H+NH4"	16.019271
"874396"	437.059471	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-2H+NH4"	16.019271
"33180"	863.055066	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M-2H+Na"	20.974666
"482951"	1284.095266	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M-2H+Na"	20.974666
"860752"	442.014866	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-2H+Na"	20.974666
"1631378"	442.014866	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Na-2H"	20.974666
"104633"	438.021263	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M-H+Cl"	33.962126
"545288"	648.541363	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M-H+Cl"	33.962126
"940995"	227.501163	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-H+Cl"	33.962126
"278458"	877.049802	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+Cl"	34.969402
"669784"	1298.090002	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+Cl"	34.969402
"1279999"	456.009602	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Cl"	34.969402
"26934"	879.029006	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M-2H+K"	36.948606
"463221"	1300.069206	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M-2H+K"	36.948606
"847835"	457.988806	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-2H+K"	36.948606
"1571054"	457.988806	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+K-2H"	36.948606
"957508"	466.038394	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-H+HCOOH"	44.998194
"371715"	887.078601	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+HCOOH-H"	44.998201
"360334"	901.094251	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+Hac-H"	59.013851
"1505158"	480.054051	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Hac-H"	59.013851
"970876"	488.020351	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-H+NaCOOH"	66.980151
"121607"	456.009602	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+2Cl"	69.938804
"560440"	666.529702	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+2Cl"	69.938804
"1033973"	245.489502	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2Cl"	69.938804
"1251363"	499.959085	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Br"	78.918885
"1312351"	502.015072	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Cl+HCOOH"	80.974872
"1329845"	523.997029	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Cl+NaCOOH"	102.956829
"923091"	534.025786	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M-H+CF3COOH"	112.985586
"1300896"	570.002464	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Cl+CF3COOH"	148.962264
"1377965"	386.027524	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H-2H2O"	-35.012676
"1389264"	404.0375	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H-H2O"	-17.0027
"287490"	843.087676	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+H"	1.007276
"679183"	1264.127876	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+H"	1.007276
"1353345"	422.047476	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H"	1.007276
"127692"	422.047476	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+2H"	2.014552
"566157"	632.567576	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+2H"	2.014552
"1039334"	211.527376	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2H"	2.014552
"210884"	281.700742666667	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+3H"	3.021828
"653726"	422.047476	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+3H"	3.021828
"1167475"	141.354009333333	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+3H"	3.021828
"430746"	860.114223	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+NH4"	18.033823
"789554"	1281.154423	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+NH4"	18.033823
"1682965"	439.074023	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+NH4"	18.033823
"333792"	430.5607495	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+H+NH4"	19.041099
"725846"	641.0808495	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+H+NH4"	19.041099
"1479305"	220.0406495	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H+NH4"	19.041099
"393970"	865.069618	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+Na"	22.989218
"756060"	1286.109818	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+Na"	22.989218
"1604156"	444.029418	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Na"	22.989218
"315167"	433.038447	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+H+Na"	23.996494
"707589"	643.558547	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+H+Na"	23.996494
"1462505"	222.518347	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H+Na"	23.996494
"1053926"	148.681323333333	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2H+Na"	25.00377
"1259742"	454.073686	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+CH3OH+H"	33.033486
"380137"	881.043558	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+K"	38.963158
"740763"	1302.083758	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+K"	38.963158
"1555458"	460.003358	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+K"	38.963158
"313146"	441.025417	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+H+K"	39.970434
"706824"	651.545517	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+H+K"	39.970434
"1460478"	230.505317	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H+K"	39.970434
"250172"	884.114226	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+ACN+H"	42.033826
"1221054"	463.074026	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+ACN+H"	42.033826
"1206030"	232.040651	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+ACN+2H"	43.041102
"201087"	887.05156	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+2Na-H"	44.97116
"642831"	1308.09176	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+2Na-H"	44.97116
"1138689"	466.01136	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2Na-H"	44.97116
"179792"	444.029418	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+2Na"	45.978436
"620445"	654.549518	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+2Na"	45.978436
"1125044"	233.509318	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2Na"	45.978436
"1412944"	156.008637333333	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H+2Na"	46.985712
"1445062"	468.052946	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H+HCOOH"	47.012746
"234393"	449.06244	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+3H2O+2H"	56.04448
"1520630"	482.10499	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+IsoProp+H"	61.06479
"415942"	452.016388	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+Na+K"	61.952376
"782402"	662.536488	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+Na+K"	61.952376
"1673266"	241.496288	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Na+K"	61.952376
"253952"	906.096168	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+ACN+Na"	64.015768
"1231396"	485.055968	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+ACN+Na"	64.015768
"1721373"	485.079493	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+NH4+HCOOH"	64.039293
"1183447"	163.335951333333	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+3Na"	68.967654
"1651648"	490.034888	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Na+HCOOH"	68.994688
"163494"	918.99944	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+2K-H"	76.91904
"598311"	1340.03964	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+2K-H"	76.91904
"1088660"	497.95924	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2K-H"	76.91904
"152050"	460.003358	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"2M+2K"	77.926316
"592701"	670.523458	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"3M+2K"	77.926316
"1080495"	249.483258	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2K"	77.926316
"1113583"	499.973792	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2K+H"	78.933592
"1344626"	500.061407	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+DMSO+H"	79.021207
"1019595"	504.100576	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2ACN+H"	83.060376
"1534559"	505.094208	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+IsoProp+Na+H"	84.054008
"1004898"	252.553926	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+2ACN+2H"	84.067652
"1601589"	506.008828	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+K+HCOOH"	84.968628
"1429193"	536.040338	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+H+CF3COOH"	115.000138
"1161307"	273.067201	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+3ACN+2H"	125.094202
"1711831"	553.066885	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+NH4+CF3COOH"	132.026685
"1649178"	558.02228	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+Na+CF3COOH"	136.98208
"1582153"	573.99622	"C14126"	"Ro 61-8048"	"C17H15N3O6S2"	"421.0402"	"M+K+CF3COOH"	152.95602
"802679"	450.1937	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M"	0
"979492"	431.17531	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-H2O-H"	-19.01839
"68829"	299.121857333333	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M-3H"	-3.021828
"503324"	449.186424	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M-3H"	-3.021828
"885101"	149.057290666667	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-3H"	-3.021828
"2946"	449.186424	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M-2H"	-2.014552
"442141"	674.283274	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M-2H"	-2.014552
"820307"	224.089574	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-2H"	-2.014552
"80296"	899.380124	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M-H"	-1.007276
"519854"	1349.573824	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M-H"	-1.007276
"896200"	449.186424	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-H"	-1.007276
"47335"	916.406671	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M-2H+NH4"	16.019271
"490138"	1366.600371	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M-2H+NH4"	16.019271
"874506"	466.212971	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-2H+NH4"	16.019271
"32926"	921.362066	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M-2H+Na"	20.974666
"484154"	1371.555766	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M-2H+Na"	20.974666
"860862"	471.168366	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-2H+Na"	20.974666
"1624927"	471.168366	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Na-2H"	20.974666
"104743"	467.174763	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M-H+Cl"	33.962126
"542116"	692.271613	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M-H+Cl"	33.962126
"937825"	242.077913	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-H+Cl"	33.962126
"278567"	935.356802	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+Cl"	34.969402
"667707"	1385.550502	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+Cl"	34.969402
"1280109"	485.163102	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Cl"	34.969402
"19384"	937.336006	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M-2H+K"	36.948606
"461133"	1387.529706	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M-2H+K"	36.948606
"838935"	487.142306	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-2H+K"	36.948606
"1561696"	487.142306	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+K-2H"	36.948606
"957984"	495.191894	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-H+HCOOH"	44.998194
"375469"	945.385601	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+HCOOH-H"	44.998201
"359719"	959.401251	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+Hac-H"	59.013851
"1505996"	509.207551	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Hac-H"	59.013851
"970985"	517.173851	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-H+NaCOOH"	66.980151
"120984"	485.163102	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+2Cl"	69.938804
"563462"	710.259952	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+2Cl"	69.938804
"1034812"	260.066252	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2Cl"	69.938804
"1254025"	529.112585	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Br"	78.918885
"1314646"	531.168572	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Cl+HCOOH"	80.974872
"1329955"	553.150529	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Cl+NaCOOH"	102.956829
"917732"	563.179286	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M-H+CF3COOH"	112.985586
"1299913"	599.155964	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Cl+CF3COOH"	148.962264
"1376982"	415.181024	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H-2H2O"	-35.012676
"1389738"	433.191	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H-H2O"	-17.0027
"287964"	901.394676	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+H"	1.007276
"681115"	1351.588376	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+H"	1.007276
"1355278"	451.200976	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H"	1.007276
"128895"	451.200976	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+2H"	2.014552
"567358"	676.297826	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+2H"	2.014552
"1037864"	226.104126	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2H"	2.014552
"210994"	301.136409333333	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+3H"	3.021828
"650556"	451.200976	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+3H"	3.021828
"1167585"	151.071842666667	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+3H"	3.021828
"426482"	918.421223	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+NH4"	18.033823
"788205"	1368.614923	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+NH4"	18.033823
"1681981"	468.227523	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+NH4"	18.033823
"330500"	459.7142495	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+H+NH4"	19.041099
"724621"	684.8110995	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+H+NH4"	19.041099
"1477470"	234.6173995	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H+NH4"	19.041099
"393717"	923.376618	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+Na"	22.989218
"755078"	1373.570318	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+Na"	22.989218
"1604147"	473.182918	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Na"	22.989218
"315520"	462.191947	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+H+Na"	23.996494
"707699"	687.288797	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+H+Na"	23.996494
"1462492"	237.095097	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H+Na"	23.996494
"1053793"	158.399156666667	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2H+Na"	25.00377
"1257092"	483.227186	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+CH3OH+H"	33.033486
"377691"	939.350558	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+K"	38.963158
"743424"	1389.544258	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+K"	38.963158
"1555490"	489.156858	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+K"	38.963158
"312523"	470.178917	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+H+K"	39.970434
"707062"	695.275767	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+H+K"	39.970434
"1460708"	245.082067	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H+K"	39.970434
"247364"	942.421226	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+ACN+H"	42.033826
"1218975"	492.227526	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+ACN+H"	42.033826
"1201765"	246.617401	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+ACN+2H"	43.041102
"195728"	945.35856	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+2Na-H"	44.97116
"636380"	1395.55226	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+2Na-H"	44.97116
"1142079"	495.16486	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2Na-H"	44.97116
"183182"	473.182918	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+2Na"	45.978436
"621646"	698.279768	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+2Na"	45.978436
"1119685"	248.086068	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2Na"	45.978436
"1413419"	165.726470666667	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H+2Na"	46.985712
"1444928"	497.206446	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H+HCOOH"	47.012746
"232682"	478.21594	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+3H2O+2H"	56.04448
"1519647"	511.25849	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+IsoProp+H"	61.06479
"418239"	481.169888	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+Na+K"	61.952376
"779232"	706.266738	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+Na+K"	61.952376
"1673376"	256.073038	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Na+K"	61.952376
"253333"	964.403168	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+ACN+Na"	64.015768
"1233693"	514.209468	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+ACN+Na"	64.015768
"1720390"	514.232993	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+NH4+HCOOH"	64.039293
"1183557"	173.053784666667	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+3Na"	68.967654
"1651388"	519.188388	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Na+HCOOH"	68.994688
"158257"	977.30644	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+2K-H"	76.91904
"598784"	1427.50014	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+2K-H"	76.91904
"1087677"	527.11274	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2K-H"	76.91904
"152159"	489.156858	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"2M+2K"	77.926316
"592811"	714.253708	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"3M+2K"	77.926316
"1080605"	264.060008	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2K"	77.926316
"1113813"	529.127292	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2K+H"	78.933592
"1346917"	529.214907	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+DMSO+H"	79.021207
"1019705"	533.254076	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2ACN+H"	83.060376
"1532481"	534.247708	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+IsoProp+Na+H"	84.054008
"1000022"	267.130676	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+2ACN+2H"	84.067652
"1602184"	535.162328	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+K+HCOOH"	84.968628
"1429723"	565.193838	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+H+CF3COOH"	115.000138
"1160318"	287.643951	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+3ACN+2H"	125.094202
"1712305"	582.220385	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+NH4+CF3COOH"	132.026685
"1647342"	587.17578	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+Na+CF3COOH"	136.98208
"1582263"	603.14972	"C14127"	"Acotiamide;MZ-338"	"C21H30N4O5S"	"450.1937"	"M+K+CF3COOH"	152.95602
"802789"	320.9894	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M"	0
"979602"	301.97101	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-H2O-H"	-19.01839
"68939"	212.985657333333	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M-3H"	-3.021828
"503151"	319.982124	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M-3H"	-3.021828
"887398"	105.989190666667	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-3H"	-3.021828
"5972"	319.982124	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M-2H"	-2.014552
"445531"	480.476824	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M-2H"	-2.014552
"823334"	159.487424	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-2H"	-2.014552
"81137"	640.971524	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M-H"	-1.007276
"519358"	961.960924	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M-H"	-1.007276
"897156"	319.982124	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-H"	-1.007276
"48133"	657.998071	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M-2H+NH4"	16.019271
"490248"	978.987471	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M-2H+NH4"	16.019271
"876804"	337.008671	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-2H+NH4"	16.019271
"38141"	662.953466	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M-2H+Na"	20.974666
"483171"	983.942866	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M-2H+Na"	20.974666
"860972"	341.964066	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-2H+Na"	20.974666
"1631598"	341.964066	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Na-2H"	20.974666
"104853"	337.970463	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M-H+Cl"	33.962126
"545507"	498.465163	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M-H+Cl"	33.962126
"937935"	177.475763	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-H+Cl"	33.962126
"279770"	676.948202	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+Cl"	34.969402
"665630"	997.937602	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+Cl"	34.969402
"1280219"	355.958802	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Cl"	34.969402
"28243"	678.927406	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M-2H+K"	36.948606
"461243"	999.916806	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M-2H+K"	36.948606
"837952"	357.938006	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-2H+K"	36.948606
"1560348"	357.938006	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+K-2H"	36.948606
"949329"	365.987594	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-H+HCOOH"	44.998194
"376228"	686.977001	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+HCOOH-H"	44.998201
"358615"	700.992651	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+Hac-H"	59.013851
"1505013"	380.003251	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Hac-H"	59.013851
"972189"	387.969551	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-H+NaCOOH"	66.980151
"121822"	355.958802	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+2Cl"	69.938804
"561747"	516.453502	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+2Cl"	69.938804
"1030545"	195.464102	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2Cl"	69.938804
"1254864"	399.908285	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Br"	78.918885
"1315852"	401.964272	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Cl+HCOOH"	80.974872
"1327878"	423.946229	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Cl+NaCOOH"	102.956829
"917842"	433.974986	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M-H+CF3COOH"	112.985586
"1294552"	469.951664	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Cl+CF3COOH"	148.962264
"1369430"	285.976724	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H-2H2O"	-35.012676
"1391305"	303.9867	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H-H2O"	-17.0027
"287710"	642.986076	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+H"	1.007276
"678306"	963.975476	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+H"	1.007276
"1354659"	321.996676	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H"	1.007276
"127912"	321.996676	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+2H"	2.014552
"567472"	482.491376	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+2H"	2.014552
"1039918"	161.501976	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2H"	2.014552
"211105"	215.000209333333	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+3H"	3.021828
"651758"	321.996676	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+3H"	3.021828
"1167696"	108.003742666667	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+3H"	3.021828
"429873"	660.012623	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+NH4"	18.033823
"793055"	981.002023	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+NH4"	18.033823
"1685012"	339.023223	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+NH4"	18.033823
"330371"	330.5099495	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+H+NH4"	19.041099
"723517"	491.0046495	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+H+NH4"	19.041099
"1477377"	170.0152495	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H+NH4"	19.041099
"393014"	664.968018	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+Na"	22.989218
"754659"	985.957418	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+Na"	22.989218
"1603202"	343.978618	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Na"	22.989218
"315265"	332.987647	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+H+Na"	23.996494
"707564"	493.482347	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+H+Na"	23.996494
"1462843"	172.492947	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H+Na"	23.996494
"1054635"	115.331056666667	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2H+Na"	25.00377
"1257100"	354.022886	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+CH3OH+H"	33.033486
"377116"	680.941958	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+K"	38.963158
"739647"	1001.931358	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+K"	38.963158
"1553637"	359.952558	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+K"	38.963158
"314260"	340.974617	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+H+K"	39.970434
"706842"	501.469317	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+H+K"	39.970434
"1460738"	180.479917	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H+K"	39.970434
"249660"	684.012626	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+ACN+H"	42.033826
"1220179"	363.023226	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+ACN+H"	42.033826
"1200782"	182.015251	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+ACN+2H"	43.041102
"196931"	686.94996	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+2Na-H"	44.97116
"639771"	1007.93936	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+2Na-H"	44.97116
"1140003"	365.96056	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2Na-H"	44.97116
"182199"	343.978618	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+2Na"	45.978436
"620665"	504.473318	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+2Na"	45.978436
"1120888"	183.483918	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2Na"	45.978436
"1413164"	122.658370666667	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H+2Na"	46.985712
"1442000"	368.002146	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H+HCOOH"	47.012746
"232427"	349.01164	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+3H2O+2H"	56.04448
"1521944"	382.05419	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+IsoProp+H"	61.06479
"418714"	351.965588	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+Na+K"	61.952376
"779342"	512.460288	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+Na+K"	61.952376
"1671300"	191.470888	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Na+K"	61.952376
"257819"	705.994568	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+ACN+Na"	64.015768
"1233803"	385.005168	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+ACN+Na"	64.015768
"1719409"	385.028693	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+NH4+HCOOH"	64.039293
"1183667"	129.985684666667	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+3Na"	68.967654
"1653571"	389.984088	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Na+HCOOH"	68.994688
"158246"	718.89784	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+2K-H"	76.91904
"598531"	1039.88724	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+2K-H"	76.91904
"1087787"	397.90844	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2K-H"	76.91904
"154455"	359.952558	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"2M+2K"	77.926316
"594014"	520.447258	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"3M+2K"	77.926316
"1080715"	199.457858	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2K"	77.926316
"1112832"	399.922992	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2K+H"	78.933592
"1347027"	400.010607	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+DMSO+H"	79.021207
"1018843"	404.049776	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2ACN+H"	83.060376
"1534781"	405.043408	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+IsoProp+Na+H"	84.054008
"1003412"	202.528526	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+2ACN+2H"	84.067652
"1602299"	405.958028	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+K+HCOOH"	84.968628
"1426859"	435.989538	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+H+CF3COOH"	115.000138
"1160428"	223.041801	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+3ACN+2H"	125.094202
"1709978"	453.016085	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+NH4+CF3COOH"	132.026685
"1644535"	457.97148	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+Na+CF3COOH"	136.98208
"1573625"	473.94542	"C14128"	"CGH 2466"	"C14H9Cl2N3S"	"320.9894"	"M+K+CF3COOH"	152.95602
"802899"	482.1595	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M"	0
"979712"	463.14111	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-H2O-H"	-19.01839
"69049"	320.432390666667	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M-3H"	-3.021828
"504233"	481.152224	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M-3H"	-3.021828
"888601"	159.712557333333	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-3H"	-3.021828
"7177"	481.152224	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M-2H"	-2.014552
"450016"	722.231974	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M-2H"	-2.014552
"820527"	240.072474	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-2H"	-2.014552
"81247"	963.311724	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M-H"	-1.007276
"520440"	1445.471224	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M-H"	-1.007276
"897878"	481.152224	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-H"	-1.007276
"54076"	980.338271	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M-2H+NH4"	16.019271
"490720"	1462.497771	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M-2H+NH4"	16.019271
"868155"	498.178771	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-2H+NH4"	16.019271
"32892"	985.293666	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M-2H+Na"	20.974666
"472210"	1467.453166	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M-2H+Na"	20.974666
"861082"	503.134166	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-2H+Na"	20.974666
"1622960"	503.134166	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Na-2H"	20.974666
"104963"	499.140563	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M-H+Cl"	33.962126
"545617"	740.220313	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M-H+Cl"	33.962126
"933670"	258.060813	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-H+Cl"	33.962126
"270038"	999.288402	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+Cl"	34.969402
"664646"	1481.447902	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+Cl"	34.969402
"1275954"	517.128902	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Cl"	34.969402
"15797"	1001.267606	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M-2H+K"	36.948606
"456243"	1483.427106	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M-2H+K"	36.948606
"832797"	519.108106	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-2H+K"	36.948606
"1560458"	519.108106	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+K-2H"	36.948606
"949802"	527.157694	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-H+HCOOH"	44.998194
"375319"	1009.317201	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+HCOOH-H"	44.998201
"357744"	1023.332851	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+Hac-H"	59.013851
"1504758"	541.173351	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Hac-H"	59.013851
"970839"	549.139651	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-H+NaCOOH"	66.980151
"120110"	517.128902	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+2Cl"	69.938804
"561855"	758.208652	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+2Cl"	69.938804
"1029562"	276.049152	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2Cl"	69.938804
"1252419"	561.078385	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Br"	78.918885
"1316326"	563.134372	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Cl+HCOOH"	80.974872
"1324708"	585.116329	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Cl+NaCOOH"	102.956829
"913575"	595.145086	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M-H+CF3COOH"	112.985586
"1294663"	631.121764	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Cl+CF3COOH"	148.962264
"1369541"	447.146824	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H-2H2O"	-35.012676
"1387041"	465.1568	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H-H2O"	-17.0027
"284535"	965.326276	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+H"	1.007276
"678417"	1447.485776	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+H"	1.007276
"1354040"	483.166776	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H"	1.007276
"128752"	483.166776	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+2H"	2.014552
"567218"	724.246526	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+2H"	2.014552
"1039664"	242.087026	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2H"	2.014552
"204523"	322.446942666667	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+3H"	3.021828
"651868"	483.166776	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+3H"	3.021828
"1168899"	161.727109333333	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+3H"	3.021828
"431075"	982.352823	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+NH4"	18.033823
"793165"	1464.512323	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+NH4"	18.033823
"1685121"	500.193323	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+NH4"	18.033823
"331331"	491.6800495	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+H+NH4"	19.041099
"725085"	732.7597995	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+H+NH4"	19.041099
"1479634"	250.6002995	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H+NH4"	19.041099
"393162"	987.308218	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+Na"	22.989218
"754564"	1469.467718	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+Na"	22.989218
"1602944"	505.148718	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Na"	22.989218
"314443"	494.157747	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+H+Na"	23.996494
"710958"	735.237497	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+H+Na"	23.996494
"1461900"	253.077997	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H+Na"	23.996494
"1053650"	169.054423333333	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2H+Na"	25.00377
"1257880"	515.192986	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+CH3OH+H"	33.033486
"378154"	1003.282158	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+K"	38.963158
"740732"	1485.441658	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+K"	38.963158
"1552281"	521.122658	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+K"	38.963158
"313836"	502.144717	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+H+K"	39.970434
"704796"	743.224467	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+H+K"	39.970434
"1457891"	261.064967	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H+K"	39.970434
"250379"	1006.352826	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+ACN+H"	42.033826
"1220291"	524.193326	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+ACN+H"	42.033826
"1201986"	262.600301	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+ACN+2H"	43.041102
"198136"	1009.29016	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+2Na-H"	44.97116
"637694"	1491.44966	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+2Na-H"	44.97116
"1140113"	527.13066	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2Na-H"	44.97116
"182310"	505.148718	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+2Na"	45.978436
"620412"	746.228468	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+2Na"	45.978436
"1120998"	264.068968	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2Na"	45.978436
"1409995"	176.381737333333	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H+2Na"	46.985712
"1442839"	529.172246	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H+HCOOH"	47.012746
"228527"	510.18174	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+3H2O+2H"	56.04448
"1518777"	543.22429	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+IsoProp+H"	61.06479
"417730"	513.135688	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+Na+K"	61.952376
"776172"	754.215438	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+Na+K"	61.952376
"1673598"	272.055938	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Na+K"	61.952376
"255013"	1028.334768	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+ACN+Na"	64.015768
"1231364"	546.175268	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+ACN+Na"	64.015768
"1720610"	546.198793	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+NH4+HCOOH"	64.039293
"1184873"	183.709051333333	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+3Na"	68.967654
"1653682"	551.154188	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Na+HCOOH"	68.994688
"163825"	1041.23804	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+2K-H"	76.91904
"597916"	1523.39754	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+2K-H"	76.91904
"1086804"	559.07854	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2K-H"	76.91904
"154565"	521.122658	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"2M+2K"	77.926316
"594978"	762.202408	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"3M+2K"	77.926316
"1078636"	280.042908	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2K"	77.926316
"1108564"	561.093092	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2K+H"	78.933592
"1342761"	561.180707	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+DMSO+H"	79.021207
"1018953"	565.219876	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2ACN+H"	83.060376
"1538051"	566.213508	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+IsoProp+Na+H"	84.054008
"1001337"	283.113576	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+2ACN+2H"	84.067652
"1602407"	567.128128	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+K+HCOOH"	84.968628
"1425876"	597.159638	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+H+CF3COOH"	115.000138
"1161631"	303.626851	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+3ACN+2H"	125.094202
"1711549"	614.186185	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+NH4+CF3COOH"	132.026685
"1647562"	619.14158	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+Na+CF3COOH"	136.98208
"1582483"	635.11552	"C14129"	"SSR 125543"	"C27H28ClFN2OS"	"482.1595"	"M+K+CF3COOH"	152.95602
"809569"	150.1045	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M"	0
"978727"	131.08611	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"72439"	99.0623906666667	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"508714"	149.097224	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"889804"	49.0275573333333	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"6193"	149.097224	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"450126"	224.149474	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"821366"	74.044974	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"82452"	299.201724	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"521644"	449.306224	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"899447"	149.097224	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"54186"	316.228271	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"494474"	466.332771	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"866808"	166.123771	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"34341"	321.183666	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"473535"	471.288166	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"861192"	171.079166	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1624163"	171.079166	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"105073"	167.085563	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"547551"	242.137813	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"931592"	92.033313	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"268082"	335.178402	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"660622"	485.282902	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1273877"	185.073902	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"16064"	337.157606	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"458180"	487.262106	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"833348"	187.053106	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1555790"	187.053106	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"947725"	195.102694	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"365941"	345.207201	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"353845"	359.222851	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1501583"	209.118351	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"963657"	217.084651	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"119127"	185.073902	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"557593"	260.126152	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1027483"	110.021652	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1251436"	229.023385	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1312790"	231.079372	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1325182"	253.061329	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"913077"	263.090086	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1298055"	299.066764	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1371475"	115.091824	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1385326"	133.1018	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"285378"	301.216276	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"677433"	451.320776	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1353422"	151.111776	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H"	1.007276
"126183"	151.111776	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"568057"	226.164026	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1040503"	76.059526	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"204792"	101.076942666667	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"654164"	151.111776	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1172289"	51.0421093333333	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"431186"	318.242823	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"796555"	468.347323	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1686325"	168.138323	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"332778"	159.6250495	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"727018"	234.6772995	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1480108"	84.5727995	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"394169"	323.198218	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"755163"	473.302718	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1603748"	173.093718	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"314755"	162.102747	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"713255"	237.154997	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1462334"	87.050497	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1057040"	58.3694233333333	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1260180"	183.137986	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"379484"	339.172158	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"739384"	489.276658	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1550934"	189.067658	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K"	38.963158
"313217"	170.089717	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"701990"	245.141967	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1453620"	95.037467	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"247688"	342.242826	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1220401"	192.138326	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1203190"	96.572801	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"199339"	345.18016	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"636710"	495.28466	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1140222"	195.07566	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"184972"	173.093718	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"620522"	248.145968	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1118193"	98.041468	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1410105"	65.6967373333333	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1442585"	197.117246	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"227544"	178.12674	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1517793"	211.16929	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"417113"	181.080688	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"776283"	256.132938	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1672615"	106.028438	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"257310"	364.224768	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1231108"	214.120268	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1720720"	214.143793	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1180977"	73.0240513333333	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1654885"	219.099188	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"163207"	377.12804	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"602400"	527.23254	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1088007"	227.02354	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"153582"	189.067658	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"595088"	264.119908	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1077653"	114.015408	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1109767"	229.038092	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1340685"	229.125707	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1017970"	233.164876	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1537187"	234.158508	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1002540"	117.086076	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1601426"	235.073128	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1429393"	265.104638	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1161742"	137.599351	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1710198"	282.131185	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1644755"	287.08658	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1582593"	303.06052	"C14130"	"2-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"811867"	242.0943	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M"	0
"975921"	223.07591	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"72549"	160.388924	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"506639"	241.087024	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"889914"	79.690824	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"9584"	241.087024	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"451329"	362.134174	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"820383"	120.039874	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"82562"	483.181324	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"522120"	725.275624	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"899923"	241.087024	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"55390"	500.207871	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"492763"	742.302171	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"866190"	258.113571	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"33721"	505.163266	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"474009"	747.257566	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"861302"	263.068966	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1624273"	263.068966	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"105183"	259.075363	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"548389"	380.122513	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"936077"	138.028213	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"274633"	519.158002	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"665959"	761.252302	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1276174"	277.063702	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"17026"	521.137206	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"461570"	763.231506	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"837186"	279.042906	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1557027"	279.042906	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"951117"	287.092494	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"366417"	529.186801	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"351769"	543.202451	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1500600"	301.108151	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"964859"	309.074451	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"117050"	277.063702	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"557704"	398.110852	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1030875"	156.016552	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1251546"	321.013185	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1311441"	323.069172	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1323470"	345.051129	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"911972"	355.079886	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1301446"	391.056564	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1374503"	207.081624	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1389448"	225.0916	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"288040"	485.195876	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"680461"	727.290176	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1355718"	243.101576	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"125927"	243.101576	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"567803"	364.148726	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1037815"	122.054426	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"204743"	162.403476	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"652087"	243.101576	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1170210"	81.705376	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"432389"	502.222423	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"789010"	744.316723	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1682787"	260.128123	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"333249"	251.6148495	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"724940"	372.6619995	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1478758"	130.5676995	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"392978"	507.177818	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"754254"	749.272118	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1603372"	265.083518	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"315110"	254.092547	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"710085"	375.139697	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1463906"	133.045397	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1054964"	89.03269	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1257736"	275.127786	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"377893"	523.151758	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"740222"	765.246058	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1552498"	281.057458	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"313574"	262.079517	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"705379"	383.126667	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1458103"	141.032367	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"247798"	526.222426	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1221603"	284.128126	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1206579"	142.567701	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"203214"	529.15976	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"635724"	771.25406	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1144706"	287.06546	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"185446"	265.083518	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"620996"	386.130668	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1117939"	144.036368	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1410944"	96.360004	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1443059"	289.107046	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"228749"	270.11654	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1516810"	303.15909	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"418316"	273.070488	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"775300"	394.117638	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1669446"	152.023338	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"256327"	548.204368	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1228667"	306.110068	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1717551"	306.133593	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1181816"	103.687318	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1653173"	311.088988	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"158212"	561.10764	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"599230"	803.20194	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1086295"	319.01334	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"152598"	281.057458	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"594344"	402.104608	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1074483"	160.010308	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1108784"	321.027892	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1338605"	321.115507	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1020511"	325.154676	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1536203"	326.148308	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"1001557"	163.080976	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1600809"	327.062928	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1429380"	357.094438	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1161856"	183.594251	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1710308"	374.120985	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1647782"	379.07638	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1576142"	395.05032	"C14131"	"Equol"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"813070"	206.1671	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M"	0
"976759"	187.14871	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-H2O-H"	-19.01839
"66099"	136.437457333333	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M-3H"	-3.021828
"504927"	205.159824	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M-3H"	-3.021828
"890024"	67.7150906666667	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-3H"	-3.021828
"9694"	205.159824	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M-2H"	-2.014552
"449253"	308.243374	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M-2H"	-2.014552
"820493"	102.076274	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-2H"	-2.014552
"78699"	411.326924	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M-H"	-1.007276
"519677"	617.494024	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M-H"	-1.007276
"898210"	205.159824	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-H"	-1.007276
"50761"	428.353471	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M-2H+NH4"	16.019271
"491778"	634.520571	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M-2H+NH4"	16.019271
"866297"	222.186371	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-2H+NH4"	16.019271
"32859"	433.308866	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M-2H+Na"	20.974666
"472904"	639.475966	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M-2H+Na"	20.974666
"858131"	227.141766	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-2H+Na"	20.974666
"1626570"	227.141766	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Na-2H"	20.974666
"105293"	223.148163	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M-H+Cl"	33.962126
"548134"	326.231713	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M-H+Cl"	33.962126
"936187"	120.064613	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-H+Cl"	33.962126
"272556"	447.303602	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+Cl"	34.969402
"666069"	653.470702	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+Cl"	34.969402
"1275191"	241.136502	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Cl"	34.969402
"16163"	449.282806	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M-2H+K"	36.948606
"459493"	655.449906	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M-2H+K"	36.948606
"839483"	243.115706	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-2H+K"	36.948606
"1556043"	243.115706	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+K-2H"	36.948606
"950498"	251.165294	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-H+HCOOH"	44.998194
"367619"	457.332401	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+HCOOH-H"	44.998201
"354418"	471.348051	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+Hac-H"	59.013851
"1500698"	265.180951	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Hac-H"	59.013851
"967156"	273.147251	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-H+NaCOOH"	66.980151
"117159"	241.136502	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+2Cl"	69.938804
"560000"	344.220052	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+2Cl"	69.938804
"1030984"	138.052952	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2Cl"	69.938804
"1252749"	285.085985	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Br"	78.918885
"1310823"	287.141972	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Cl+HCOOH"	80.974872
"1325402"	309.123929	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Cl+NaCOOH"	102.956829
"912446"	319.152686	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M-H+CF3COOH"	112.985586
"1299004"	355.129364	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Cl+CF3COOH"	148.962264
"1376435"	171.154424	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H-2H2O"	-35.012676
"1390651"	189.1644	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H-H2O"	-17.0027
"288150"	413.341476	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+H"	1.007276
"679478"	619.508576	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+H"	1.007276
"1354006"	207.174376	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H"	1.007276
"125784"	207.174376	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+2H"	2.014552
"566091"	310.257926	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+2H"	2.014552
"1037127"	104.090826	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2H"	2.014552
"204305"	138.452009333333	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+3H"	3.021828
"652195"	207.174376	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+3H"	3.021828
"1168133"	69.7296426666667	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+3H"	3.021828
"424838"	430.368023	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+NH4"	18.033823
"788025"	636.535123	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+NH4"	18.033823
"1682896"	224.200923	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+NH4"	18.033823
"332266"	215.6876495	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+H+NH4"	19.041099
"723592"	318.7711995	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+H+NH4"	19.041099
"1477897"	112.6040995	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H+NH4"	19.041099
"392961"	435.323418	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+Na"	22.989218
"754354"	641.490518	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+Na"	22.989218
"1602740"	229.156318	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Na"	22.989218
"314318"	218.165347	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+H+Na"	23.996494
"709223"	321.248897	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+H+Na"	23.996494
"1462192"	115.081797	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H+Na"	23.996494
"1053614"	77.0569566666667	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2H+Na"	25.00377
"1257359"	239.200586	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+CH3OH+H"	33.033486
"377175"	451.297358	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+K"	38.963158
"738570"	657.464458	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+K"	38.963158
"1553337"	245.130258	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+K"	38.963158
"313317"	226.152317	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+H+K"	39.970434
"706218"	329.235867	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+H+K"	39.970434
"1458578"	123.068767	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H+K"	39.970434
"247908"	454.368026	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+ACN+H"	42.033826
"1222806"	248.200926	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+ACN+H"	42.033826
"1206325"	124.604101	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+ACN+2H"	43.041102
"203325"	457.30536	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+2Na-H"	44.97116
"638021"	663.47246	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+2Na-H"	44.97116
"1134241"	251.13826	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2Na-H"	44.97116
"184462"	229.156318	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+2Na"	45.978436
"621106"	332.239868	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+2Na"	45.978436
"1116832"	126.072768	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2Na"	45.978436
"1411054"	84.3842706666667	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H+2Na"	46.985712
"1442077"	253.179846	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H+HCOOH"	47.012746
"229952"	234.18934	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+3H2O+2H"	56.04448
"1518013"	267.23189	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+IsoProp+H"	61.06479
"414416"	237.143288	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+Na+K"	61.952376
"775408"	340.226838	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+Na+K"	61.952376
"1667364"	134.059738	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Na+K"	61.952376
"256801"	476.349968	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+ACN+Na"	64.015768
"1227317"	270.182868	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+ACN+Na"	64.015768
"1716566"	270.206393	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+NH4+HCOOH"	64.039293
"1181195"	91.7115846666667	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+3Na"	68.967654
"1652918"	275.161788	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Na+HCOOH"	68.994688
"157959"	489.25324	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+2K-H"	76.91904
"600434"	695.42034	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+2K-H"	76.91904
"1085068"	283.08614	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2K-H"	76.91904
"152708"	245.130258	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"2M+2K"	77.926316
"593361"	348.213808	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"3M+2K"	77.926316
"1077873"	142.046708	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2K"	77.926316
"1107801"	285.100692	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2K+H"	78.933592
"1337621"	285.188307	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+DMSO+H"	79.021207
"1019283"	289.227476	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2ACN+H"	83.060376
"1536313"	290.221108	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+IsoProp+Na+H"	84.054008
"1003854"	145.117376	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+2ACN+2H"	84.067652
"1599452"	291.135728	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+K+HCOOH"	84.968628
"1429366"	321.167238	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+H+CF3COOH"	115.000138
"1161842"	165.630651	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+3ACN+2H"	125.094202
"1710418"	338.193785	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+NH4+CF3COOH"	132.026685
"1641694"	343.14918	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+Na+CF3COOH"	136.98208
"1576252"	359.12312	"C14132"	"4-Octylphenol;4-n-Octylphenol;p-Octylphenol"	"C14H22O"	"206.1671"	"M+K+CF3COOH"	152.95602
"812087"	315.938	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M"	0
"976869"	296.91961	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-H2O-H"	-19.01839
"66209"	209.618057333333	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M-3H"	-3.021828
"505037"	314.930724	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M-3H"	-3.021828
"889041"	104.305390666667	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-3H"	-3.021828
"7617"	314.930724	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M-2H"	-2.014552
"448270"	472.899724	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M-2H"	-2.014552
"820603"	156.961724	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-2H"	-2.014552
"78932"	630.868724	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M-H"	-1.007276
"519785"	946.806724	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M-H"	-1.007276
"900143"	314.930724	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-H"	-1.007276
"49778"	647.895271	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M-2H+NH4"	16.019271
"494075"	963.833271	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M-2H+NH4"	16.019271
"868961"	331.957271	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-2H+NH4"	16.019271
"32481"	652.850666	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M-2H+Na"	20.974666
"472043"	968.788666	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M-2H+Na"	20.974666
"849235"	336.912666	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-2H+Na"	20.974666
"1625587"	336.912666	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Na-2H"	20.974666
"104310"	332.919063	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M-H+Cl"	33.962126
"547151"	490.888063	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M-H+Cl"	33.962126
"936297"	174.950063	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-H+Cl"	33.962126
"272666"	666.845402	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+Cl"	34.969402
"665086"	982.783402	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+Cl"	34.969402
"1275301"	350.907402	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Cl"	34.969402
"16233"	668.824606	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M-2H+K"	36.948606
"459603"	984.762606	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M-2H+K"	36.948606
"839593"	352.886606	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-2H+K"	36.948606
"1556882"	352.886606	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+K-2H"	36.948606
"952066"	360.936194	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-H+HCOOH"	44.998194
"368094"	676.874201	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+HCOOH-H"	44.998201
"354164"	690.889851	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+Hac-H"	59.013851
"1499716"	374.951851	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Hac-H"	59.013851
"967266"	382.918151	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-H+NaCOOH"	66.980151
"117270"	350.907402	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+2Cl"	69.938804
"556831"	508.876402	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+2Cl"	69.938804
"1026722"	192.938402	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2Cl"	69.938804
"1250673"	394.856885	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Br"	78.918885
"1312027"	396.912872	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Cl+HCOOH"	80.974872
"1328429"	418.894829	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Cl+NaCOOH"	102.956829
"912558"	428.923586	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M-H+CF3COOH"	112.985586
"1298387"	464.900264	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Cl+CF3COOH"	148.962264
"1376545"	280.925324	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H-2H2O"	-35.012676
"1389668"	298.9353	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H-H2O"	-17.0027
"285708"	632.883276	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+H"	1.007276
"680681"	948.821276	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+H"	1.007276
"1354116"	316.945276	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H"	1.007276
"126635"	316.945276	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+2H"	2.014552
"566079"	474.914276	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+2H"	2.014552
"1037662"	158.976276	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2H"	2.014552
"205197"	211.632609333333	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+3H"	3.021828
"647931"	316.945276	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+3H"	3.021828
"1167150"	106.319942666667	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+3H"	3.021828
"424351"	649.909823	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+NH4"	18.033823
"786307"	965.847823	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+NH4"	18.033823
"1682271"	333.971823	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+NH4"	18.033823
"330914"	325.4585495	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+H+NH4"	19.041099
"723173"	483.4275495	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+H+NH4"	19.041099
"1477643"	167.4895495	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H+NH4"	19.041099
"392898"	654.865218	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+Na"	22.989218
"754879"	970.803218	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+Na"	22.989218
"1603021"	338.927218	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Na"	22.989218
"314553"	327.936247	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+H+Na"	23.996494
"707508"	485.905247	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+H+Na"	23.996494
"1462058"	169.967247	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H+Na"	23.996494
"1053845"	113.647256666667	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2H+Na"	25.00377
"1257257"	348.971486	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+CH3OH+H"	33.033486
"377981"	670.839158	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+K"	38.963158
"738668"	986.777158	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+K"	38.963158
"1554055"	354.901158	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+K"	38.963158
"312454"	335.923217	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+H+K"	39.970434
"705600"	493.892217	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+H+K"	39.970434
"1459416"	177.954217	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H+K"	39.970434
"246925"	673.909826	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+ACN+H"	42.033826
"1223281"	357.971826	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+ACN+H"	42.033826
"1206071"	179.489551	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+ACN+2H"	43.041102
"202706"	676.84716	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+2Na-H"	44.97116
"637038"	992.78516	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+2Na-H"	44.97116
"1135439"	360.90916	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2Na-H"	44.97116
"185301"	338.927218	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+2Na"	45.978436
"621581"	496.896218	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+2Na"	45.978436
"1117066"	180.958218	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2Na"	45.978436
"1411530"	120.974570666667	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H+2Na"	46.985712
"1442187"	362.950746	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H+HCOOH"	47.012746
"227876"	343.96024	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+3H2O+2H"	56.04448
"1517030"	377.00279	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+IsoProp+H"	61.06479
"414526"	346.914188	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+Na+K"	61.952376
"775518"	504.883188	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+Na+K"	61.952376
"1667110"	188.945188	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Na+K"	61.952376
"253631"	695.891768	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+ACN+Na"	64.015768
"1227428"	379.953768	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+ACN+Na"	64.015768
"1716679"	379.977293	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+NH4+HCOOH"	64.039293
"1183852"	128.301884666667	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+3Na"	68.967654
"1652299"	384.932688	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Na+HCOOH"	68.994688
"159163"	708.79504	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+2K-H"	76.91904
"601637"	1024.73304	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+2K-H"	76.91904
"1086151"	392.85704	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2K-H"	76.91904
"151725"	354.901158	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"2M+2K"	77.926316
"594564"	512.870158	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"3M+2K"	77.926316
"1077983"	196.932158	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2K"	77.926316
"1107911"	394.871592	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2K+H"	78.933592
"1338460"	394.959207	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+DMSO+H"	79.021207
"1017205"	398.998376	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2ACN+H"	83.060376
"1533143"	399.992008	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+IsoProp+Na+H"	84.054008
"1003964"	200.002826	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+2ACN+2H"	84.067652
"1598468"	400.906628	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+K+HCOOH"	84.968628
"1426316"	430.938138	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+H+CF3COOH"	115.000138
"1162317"	220.516101	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+3ACN+2H"	125.094202
"1707248"	447.964685	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+NH4+CF3COOH"	132.026685
"1641804"	452.92008	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+Na+CF3COOH"	136.98208
"1576362"	468.89402	"C14133"	"22-(2-Chlorophenyl-4-chlorophenyl)-11-dichloroethene;11-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene;24-DDE;op-DDE"	"C14H8Cl4"	"315.938"	"M+K+CF3COOH"	152.95602
"813290"	256.1252	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M"	0
"976614"	237.10681	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-H2O-H"	-19.01839
"67412"	169.742857333333	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M-3H"	-3.021828
"506240"	255.117924	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M-3H"	-3.021828
"889151"	84.3677906666667	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-3H"	-3.021828
"9914"	255.117924	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M-2H"	-2.014552
"448379"	383.180524	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M-2H"	-2.014552
"818890"	127.055324	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-2H"	-2.014552
"79487"	511.243124	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M-H"	-1.007276
"522450"	767.368324	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M-H"	-1.007276
"902440"	255.117924	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-H"	-1.007276
"54627"	528.269671	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M-2H+NH4"	16.019271
"497465"	784.394871	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M-2H+NH4"	16.019271
"868707"	272.144471	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-2H+NH4"	16.019271
"32959"	533.225066	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M-2H+Na"	20.974666
"472761"	789.350266	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M-2H+Na"	20.974666
"848984"	277.099866	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-2H+Na"	20.974666
"1625697"	277.099866	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Na-2H"	20.974666
"105513"	273.106263	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M-H+Cl"	33.962126
"547869"	401.168863	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M-H+Cl"	33.962126
"929482"	145.043663	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-H+Cl"	33.962126
"270954"	547.219802	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+Cl"	34.969402
"667383"	803.345002	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+Cl"	34.969402
"1275411"	291.094602	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Cl"	34.969402
"16383"	549.199006	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M-2H+K"	36.948606
"459713"	805.324206	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M-2H+K"	36.948606
"835328"	293.073806	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-2H+K"	36.948606
"1555694"	293.073806	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+K-2H"	36.948606
"949989"	301.123394	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-H+HCOOH"	44.998194
"367111"	557.248601	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+HCOOH-H"	44.998201
"352087"	571.264251	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+Hac-H"	59.013851
"1498733"	315.139051	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Hac-H"	59.013851
"966284"	323.105351	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-H+NaCOOH"	66.980151
"119564"	291.094602	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+2Cl"	69.938804
"559127"	419.157202	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+2Cl"	69.938804
"1031207"	163.032002	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2Cl"	69.938804
"1251876"	335.044085	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Br"	78.918885
"1314323"	337.100072	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Cl+HCOOH"	80.974872
"1324164"	359.082029	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Cl+NaCOOH"	102.956829
"913397"	369.110786	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M-H+CF3COOH"	112.985586
"1302868"	405.087464	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Cl+CF3COOH"	148.962264
"1377748"	221.112524	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H-2H2O"	-35.012676
"1390871"	239.1225	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H-H2O"	-17.0027
"285454"	513.257676	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+H"	1.007276
"681884"	769.382876	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+H"	1.007276
"1353862"	257.132476	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H"	1.007276
"126505"	257.132476	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+2H"	2.014552
"566676"	385.195076	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+2H"	2.014552
"1037163"	129.069876	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2H"	2.014552
"205065"	171.757409333333	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+3H"	3.021828
"644756"	257.132476	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+3H"	3.021828
"1167260"	86.3823426666667	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+3H"	3.021828
"425056"	530.284223	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+NH4"	18.033823
"787267"	786.409423	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+NH4"	18.033823
"1683115"	274.159023	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+NH4"	18.033823
"331391"	265.6457495	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+H+NH4"	19.041099
"723569"	393.7083495	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+H+NH4"	19.041099
"1478118"	137.5831495	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H+NH4"	19.041099
"393511"	535.239618	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+Na"	22.989218
"755360"	791.364818	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+Na"	22.989218
"1605769"	279.114418	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Na"	22.989218
"314869"	268.123447	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+H+Na"	23.996494
"707980"	396.186047	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+H+Na"	23.996494
"1461679"	140.060847	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H+Na"	23.996494
"1053226"	93.7096566666667	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2H+Na"	25.00377
"1257214"	289.158686	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+CH3OH+H"	33.033486
"377727"	551.213558	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+K"	38.963158
"739332"	807.338758	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+K"	38.963158
"1553557"	295.088358	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+K"	38.963158
"312199"	276.110417	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+H+K"	39.970434
"704982"	404.173017	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+H+K"	39.970434
"1459162"	148.047817	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H+K"	39.970434
"249221"	554.284226	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+ACN+H"	42.033826
"1220838"	298.159026	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+ACN+H"	42.033826
"1205815"	149.583151	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+ACN+2H"	43.041102
"201963"	557.22156	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+2Na-H"	44.97116
"633868"	813.34676	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+2Na-H"	44.97116
"1134090"	301.09636	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2Na-H"	44.97116
"184684"	279.114418	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+2Na"	45.978436
"622785"	407.177018	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+2Na"	45.978436
"1122643"	151.051818	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2Na"	45.978436
"1409452"	101.036970666667	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H+2Na"	46.985712
"1441933"	303.137946	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H+HCOOH"	47.012746
"230171"	284.14744	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+3H2O+2H"	56.04448
"1514951"	317.18999	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+IsoProp+H"	61.06479
"415730"	287.101388	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+Na+K"	61.952376
"773441"	415.163988	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+Na+K"	61.952376
"1666856"	159.038788	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Na+K"	61.952376
"253013"	576.266168	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+ACN+Na"	64.015768
"1228997"	320.140968	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+ACN+Na"	64.015768
"1717883"	320.164493	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+NH4+HCOOH"	64.039293
"1181776"	108.364284666667	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+3Na"	68.967654
"1650341"	325.119888	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Na+HCOOH"	68.994688
"157815"	589.16944	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+2K-H"	76.91904
"600654"	845.29464	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+2K-H"	76.91904
"1084280"	333.04424	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2K-H"	76.91904
"154021"	295.088358	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"2M+2K"	77.926316
"591394"	423.150958	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"3M+2K"	77.926316
"1078093"	167.025758	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2K"	77.926316
"1110208"	335.058792	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2K+H"	78.933592
"1341122"	335.146407	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+DMSO+H"	79.021207
"1018406"	339.185576	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2ACN+H"	83.060376
"1534343"	340.179208	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+IsoProp+Na+H"	84.054008
"1004074"	170.096426	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+2ACN+2H"	84.067652
"1597484"	341.093828	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+K+HCOOH"	84.968628
"1423146"	371.125338	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+H+CF3COOH"	115.000138
"1160361"	190.609701	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+3ACN+2H"	125.094202
"1708453"	388.151885	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+NH4+CF3COOH"	132.026685
"1641914"	393.10728	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+Na+CF3COOH"	136.98208
"1579751"	409.08122	"C14134"	"Triphenylethylene"	"C20H16"	"256.1252"	"M+K+CF3COOH"	152.95602
"813400"	254.1783	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M"	0
"978184"	235.15991	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-H2O-H"	-19.01839
"72989"	168.444924	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M-3H"	-3.021828
"513642"	253.171024	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M-3H"	-3.021828
"891448"	83.718824	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-3H"	-3.021828
"13304"	253.171024	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M-2H"	-2.014552
"451769"	380.260174	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M-2H"	-2.014552
"820823"	126.081874	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-2H"	-2.014552
"83000"	507.349324	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M-H"	-1.007276
"524747"	761.527624	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M-H"	-1.007276
"903642"	253.171024	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-H"	-1.007276
"51818"	524.375871	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M-2H+NH4"	16.019271
"493200"	778.554171	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M-2H+NH4"	16.019271
"872097"	270.197571	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-2H+NH4"	16.019271
"33674"	529.331266	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M-2H+Na"	20.974666
"472504"	783.509566	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M-2H+Na"	20.974666
"850185"	275.152966	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-2H+Na"	20.974666
"1625807"	275.152966	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Na-2H"	20.974666
"105623"	271.159363	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M-H+Cl"	33.962126
"548464"	398.248513	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M-H+Cl"	33.962126
"927283"	144.070213	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-H+Cl"	33.962126
"271793"	543.326002	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+Cl"	34.969402
"671868"	797.504302	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+Cl"	34.969402
"1274792"	289.147702	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Cl"	34.969402
"18076"	545.305206	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M-2H+K"	36.948606
"460917"	799.483506	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M-2H+K"	36.948606
"836533"	291.126906	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-2H+K"	36.948606
"1556496"	291.126906	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+K-2H"	36.948606
"951193"	299.176494	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-H+HCOOH"	44.998194
"372689"	553.354801	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+HCOOH-H"	44.998201
"355478"	567.370451	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+Hac-H"	59.013851
"1502123"	313.192151	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Hac-H"	59.013851
"966395"	321.158451	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-H+NaCOOH"	66.980151
"118582"	289.147702	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+2Cl"	69.938804
"560330"	416.236852	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+2Cl"	69.938804
"1031317"	162.058552	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2Cl"	69.938804
"1252716"	333.097185	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Br"	78.918885
"1314433"	335.153172	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Cl+HCOOH"	80.974872
"1325367"	357.135129	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Cl+NaCOOH"	102.956829
"913143"	367.163886	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M-H+CF3COOH"	112.985586
"1300427"	403.140564	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Cl+CF3COOH"	148.962264
"1377859"	219.165624	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H-2H2O"	-35.012676
"1387700"	237.1756	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H-H2O"	-17.0027
"288480"	509.363876	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+H"	1.007276
"681994"	763.542176	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+H"	1.007276
"1356159"	255.185576	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H"	1.007276
"127344"	255.185576	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+2H"	2.014552
"567636"	382.274726	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+2H"	2.014552
"1038012"	128.096426	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2H"	2.014552
"206155"	170.459476	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+3H"	3.021828
"644624"	255.185576	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+3H"	3.021828
"1164209"	85.733376	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+3H"	3.021828
"426263"	526.390423	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+NH4"	18.033823
"788352"	780.568723	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+NH4"	18.033823
"1683946"	272.212123	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+NH4"	18.033823
"332227"	263.6988495	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+H+NH4"	19.041099
"724283"	390.7879995	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+H+NH4"	19.041099
"1477261"	136.6096995	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H+NH4"	19.041099
"393132"	531.345818	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+Na"	22.989218
"754340"	785.524118	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+Na"	22.989218
"1604785"	277.167518	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Na"	22.989218
"314819"	266.176547	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+H+Na"	23.996494
"707362"	393.265697	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+H+Na"	23.996494
"1461580"	139.087397	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H+Na"	23.996494
"1053004"	93.06069	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2H+Na"	25.00377
"1257934"	287.211786	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+CH3OH+H"	33.033486
"377713"	547.319758	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+K"	38.963158
"738832"	801.498058	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+K"	38.963158
"1554032"	293.141458	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+K"	38.963158
"313647"	274.163517	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+H+K"	39.970434
"706308"	401.252667	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+H+K"	39.970434
"1458183"	147.074367	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H+K"	39.970434
"247145"	550.390426	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+ACN+H"	42.033826
"1222777"	296.212126	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+ACN+H"	42.033826
"1207748"	148.609701	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+ACN+2H"	43.041102
"199887"	553.32776	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+2Na-H"	44.97116
"639446"	807.50606	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+2Na-H"	44.97116
"1135296"	299.14946	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2Na-H"	44.97116
"179684"	277.167518	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+2Na"	45.978436
"623624"	404.256668	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+2Na"	45.978436
"1124940"	150.078368	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2Na"	45.978436
"1412479"	100.388004	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H+2Na"	46.985712
"1440583"	301.191046	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H+HCOOH"	47.012746
"233197"	282.20054	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+3H2O+2H"	56.04448
"1519434"	315.24309	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+IsoProp+H"	61.06479
"415839"	285.154488	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+Na+K"	61.952376
"775739"	412.243638	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+Na+K"	61.952376
"1670977"	158.065338	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Na+K"	61.952376
"253123"	572.372368	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+ACN+Na"	64.015768
"1229108"	318.194068	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+ACN+Na"	64.015768
"1717992"	318.217593	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+NH4+HCOOH"	64.039293
"1180431"	107.715318	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+3Na"	68.967654
"1651423"	323.172988	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Na+HCOOH"	68.994688
"160113"	585.27564	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+2K-H"	76.91904
"600764"	839.45394	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+2K-H"	76.91904
"1084543"	331.09734	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2K-H"	76.91904
"154131"	293.141458	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"2M+2K"	77.926316
"589317"	420.230608	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"3M+2K"	77.926316
"1077109"	166.052308	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2K"	77.926316
"1107035"	333.111892	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2K+H"	78.933592
"1340137"	333.199507	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+DMSO+H"	79.021207
"1017423"	337.238676	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2ACN+H"	83.060376
"1536640"	338.232308	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+IsoProp+Na+H"	84.054008
"1001996"	169.122976	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+2ACN+2H"	84.067652
"1596501"	339.146928	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+K+HCOOH"	84.968628
"1419974"	369.178438	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+H+CF3COOH"	115.000138
"1159377"	189.636251	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+3ACN+2H"	125.094202
"1710020"	386.204985	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+NH4+CF3COOH"	132.026685
"1642024"	391.16038	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+Na+CF3COOH"	136.98208
"1583142"	407.13432	"C14135"	"44-Methylenebis(NN-dimethylaniline);Michlers base"	"C17H22N2"	"254.1783"	"M+K+CF3COOH"	152.95602
"813511"	315.9825	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M"	0
"977202"	296.96411	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-H2O-H"	-19.01839
"69819"	209.647724	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M-3H"	-3.021828
"507192"	314.975224	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M-3H"	-3.021828
"892651"	104.320224	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-3H"	-3.021828
"14388"	314.975224	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M-2H"	-2.014552
"450787"	472.966474	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M-2H"	-2.014552
"823121"	156.983974	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-2H"	-2.014552
"83112"	630.957724	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M-H"	-1.007276
"524857"	946.940224	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M-H"	-1.007276
"904845"	314.975224	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-H"	-1.007276
"52657"	647.984271	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M-2H+NH4"	16.019271
"491124"	963.966771	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M-2H+NH4"	16.019271
"870020"	332.001771	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-2H+NH4"	16.019271
"33177"	652.939666	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M-2H+Na"	20.974666
"473226"	968.922166	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M-2H+Na"	20.974666
"849934"	336.957166	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-2H+Na"	20.974666
"1625917"	336.957166	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Na-2H"	20.974666
"107922"	332.963563	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M-H+Cl"	33.962126
"548574"	490.954813	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M-H+Cl"	33.962126
"933349"	174.972313	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-H+Cl"	33.962126
"268381"	666.934402	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+Cl"	34.969402
"667605"	982.916902	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+Cl"	34.969402
"1280008"	350.951902	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Cl"	34.969402
"21470"	668.913606	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M-2H+K"	36.948606
"462123"	984.896106	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M-2H+K"	36.948606
"834820"	352.931106	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-2H+K"	36.948606
"1557576"	352.931106	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+K-2H"	36.948606
"955678"	360.980694	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-H+HCOOH"	44.998194
"373530"	676.963201	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+HCOOH-H"	44.998201
"357776"	690.978851	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+Hac-H"	59.013851
"1502233"	374.996351	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Hac-H"	59.013851
"964312"	382.962651	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-H+NaCOOH"	66.980151
"117601"	350.951902	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+2Cl"	69.938804
"558253"	508.943152	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+2Cl"	69.938804
"1032521"	192.960652	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2Cl"	69.938804
"1254284"	394.901385	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Br"	78.918885
"1314544"	396.957372	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Cl+HCOOH"	80.974872
"1324382"	418.939329	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Cl+NaCOOH"	102.956829
"912524"	428.968086	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M-H+CF3COOH"	112.985586
"1302602"	464.944764	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Cl+CF3COOH"	148.962264
"1380520"	280.969824	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H-2H2O"	-35.012676
"1388538"	298.9798	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H-H2O"	-17.0027
"289683"	632.972276	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+H"	1.007276
"682104"	948.954776	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+H"	1.007276
"1360642"	316.989776	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H"	1.007276
"128061"	316.989776	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+2H"	2.014552
"566529"	474.981026	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+2H"	2.014552
"1038122"	158.998526	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2H"	2.014552
"206265"	211.662276	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+3H"	3.021828
"644612"	316.989776	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+3H"	3.021828
"1163099"	106.334776	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+3H"	3.021828
"425279"	649.998823	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+NH4"	18.033823
"787490"	965.981323	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+NH4"	18.033823
"1682115"	334.016323	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+NH4"	18.033823
"331611"	325.5030495	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+H+NH4"	19.041099
"724270"	483.4942995	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+H+NH4"	19.041099
"1477280"	167.5117995	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H+NH4"	19.041099
"393247"	654.954218	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+Na"	22.989218
"756795"	970.936718	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+Na"	22.989218
"1603310"	338.971718	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Na"	22.989218
"314804"	327.980747	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+H+Na"	23.996494
"707427"	485.971997	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+H+Na"	23.996494
"1462018"	169.989497	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H+Na"	23.996494
"1053199"	113.66209	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2H+Na"	25.00377
"1257927"	349.015986	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+CH3OH+H"	33.033486
"377623"	670.928158	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+K"	38.963158
"738622"	986.910658	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+K"	38.963158
"1550862"	354.945658	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+K"	38.963158
"313277"	335.967717	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+H+K"	39.970434
"704838"	493.958967	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+H+K"	39.970434
"1457563"	177.976467	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H+K"	39.970434
"242883"	673.998826	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+ACN+H"	42.033826
"1224100"	358.016326	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+ACN+H"	42.033826
"1207858"	179.511801	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+ACN+2H"	43.041102
"199998"	676.93616	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+2Na-H"	44.97116
"636276"	992.91866	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+2Na-H"	44.97116
"1135041"	360.95366	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2Na-H"	44.97116
"181981"	338.971718	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+2Na"	45.978436
"624827"	496.962968	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+2Na"	45.978436
"1125051"	180.980468	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2Na"	45.978436
"1411494"	120.989404	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H+2Na"	46.985712
"1442152"	362.995246	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H+HCOOH"	47.012746
"232579"	344.00474	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+3H2O+2H"	56.04448
"1520639"	377.04729	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+IsoProp+H"	61.06479
"414856"	346.958688	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+Na+K"	61.952376
"773663"	504.949938	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+Na+K"	61.952376
"1669995"	188.967438	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Na+K"	61.952376
"255420"	695.980768	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+ACN+Na"	64.015768
"1229219"	379.998268	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+ACN+Na"	64.015768
"1720290"	380.021793	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+NH4+HCOOH"	64.039293
"1185645"	128.316718	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+3Na"	68.967654
"1651168"	384.977188	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Na+HCOOH"	68.994688
"162410"	708.88404	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+2K-H"	76.91904
"600876"	1024.86654	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+2K-H"	76.91904
"1086113"	392.90154	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2K-H"	76.91904
"156068"	354.945658	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"2M+2K"	77.926316
"593801"	512.936908	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"3M+2K"	77.926316
"1076126"	196.954408	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2K"	77.926316
"1108241"	394.916092	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2K+H"	78.933592
"1339155"	395.003707	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+DMSO+H"	79.021207
"1017532"	399.042876	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2ACN+H"	83.060376
"1536750"	400.036508	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+IsoProp+Na+H"	84.054008
"1002106"	200.025076	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+2ACN+2H"	84.067652
"1594424"	400.951128	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+K+HCOOH"	84.968628
"1420084"	430.982638	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+H+CF3COOH"	115.000138
"1159487"	220.538351	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+3ACN+2H"	125.094202
"1707578"	448.009185	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+NH4+CF3COOH"	132.026685
"1642134"	452.96458	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+Na+CF3COOH"	136.98208
"1583252"	468.93852	"C14136"	"111-Trichloro-22-bis(4-hydroxyphenyl)ethane;HPTE;pp-Hydroxy-DDT"	"C14H11Cl3O2"	"315.9825"	"M+K+CF3COOH"	152.95602
"816782"	238.063	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M"	0
"987155"	219.04461	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H2O-H"	-19.01839
"64462"	157.701390666667	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-3H"	-3.021828
"510583"	237.055724	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-3H"	-3.021828
"893857"	78.3470573333333	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-3H"	-3.021828
"2954"	237.055724	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H"	-2.014552
"453086"	356.087224	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H"	-2.014552
"830886"	118.024224	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H"	-2.014552
"86503"	475.118724	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-H"	-1.007276
"520714"	713.181724	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-H"	-1.007276
"901676"	237.055724	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H"	-1.007276
"50946"	492.145271	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H+NH4"	16.019271
"489775"	730.208271	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H+NH4"	16.019271
"867212"	254.082271	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H+NH4"	16.019271
"33656"	497.100666	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H+Na"	20.974666
"472364"	735.163666	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H+Na"	20.974666
"849112"	259.037666	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H+Na"	20.974666
"1619823"	259.037666	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na-2H"	20.974666
"95629"	255.044063	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-H+Cl"	33.962126
"539933"	374.075563	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-H+Cl"	33.962126
"938920"	136.012563	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+Cl"	33.962126
"274197"	511.095402	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Cl"	34.969402
"664435"	749.158402	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+Cl"	34.969402
"1274160"	273.032402	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl"	34.969402
"20852"	513.074606	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M-2H+K"	36.948606
"460411"	751.137606	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M-2H+K"	36.948606
"835296"	275.011606	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-2H+K"	36.948606
"1558051"	275.011606	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K-2H"	36.948606
"955788"	283.061194	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+HCOOH"	44.998194
"373640"	521.124201	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+HCOOH-H"	44.998201
"356793"	535.139851	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Hac-H"	59.013851
"1502343"	297.076851	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Hac-H"	59.013851
"969527"	305.043151	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+NaCOOH"	66.980151
"113335"	273.032402	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2Cl"	69.938804
"559454"	392.063902	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2Cl"	69.938804
"1029350"	154.000902	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2Cl"	69.938804
"1252208"	316.981885	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Br"	78.918885
"1316840"	319.037872	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl+HCOOH"	80.974872
"1324492"	341.019829	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl+NaCOOH"	102.956829
"912631"	351.048586	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M-H+CF3COOH"	112.985586
"1295542"	387.025264	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Cl+CF3COOH"	148.962264
"1369692"	203.050324	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H-2H2O"	-35.012676
"1389013"	221.0603	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H-H2O"	-17.0027
"285052"	477.133276	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H"	1.007276
"677470"	715.196276	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H"	1.007276
"1355283"	239.070276	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H"	1.007276
"126585"	239.070276	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2H"	2.014552
"567369"	358.101776	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2H"	2.014552
"1038353"	120.038776	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2H"	2.014552
"206621"	159.715942666667	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+3H"	3.021828
"644842"	239.070276	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+3H"	3.021828
"1163165"	80.3616093333333	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+3H"	3.021828
"425387"	494.159823	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+NH4"	18.033823
"787112"	732.222823	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+NH4"	18.033823
"1682714"	256.096823	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+NH4"	18.033823
"332451"	247.5835495	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H+NH4"	19.041099
"723453"	366.6150495	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H+NH4"	19.041099
"1477035"	128.5520495	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+NH4"	19.041099
"392988"	499.115218	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Na"	22.989218
"754272"	737.178218	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+Na"	22.989218
"1602844"	261.052218	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na"	22.989218
"314350"	250.061247	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H+Na"	23.996494
"707289"	369.092747	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H+Na"	23.996494
"1461403"	131.029747	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+Na"	23.996494
"1053059"	87.6889233333333	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2H+Na"	25.00377
"1257289"	271.096486	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+CH3OH+H"	33.033486
"378436"	515.089158	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+K"	38.963158
"738734"	753.152158	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+K"	38.963158
"1550971"	277.026158	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K"	38.963158
"313621"	258.048217	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+H+K"	39.970434
"703853"	377.079717	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+H+K"	39.970434
"1456578"	139.016717	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+K"	39.970434
"242993"	518.159826	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+ACN+H"	42.033826
"1222264"	280.096826	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+ACN+H"	42.033826
"1207970"	140.552051	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+ACN+2H"	43.041102
"196831"	521.09716	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2Na-H"	44.97116
"637483"	759.16016	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2Na-H"	44.97116
"1138798"	283.03416	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2Na-H"	44.97116
"178811"	261.052218	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2Na"	45.978436
"623843"	380.083718	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2Na"	45.978436
"1121881"	142.020718	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2Na"	45.978436
"1411240"	95.0162373333333	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+2Na"	46.985712
"1439710"	285.075746	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+HCOOH"	47.012746
"231596"	266.08524	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+3H2O+2H"	56.04448
"1519656"	299.12779	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+IsoProp+H"	61.06479
"414966"	269.039188	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+Na+K"	61.952376
"773408"	388.070688	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+Na+K"	61.952376
"1668646"	150.007688	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na+K"	61.952376
"255529"	540.141768	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+ACN+Na"	64.015768
"1229329"	302.078768	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+ACN+Na"	64.015768
"1722589"	302.102293	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+NH4+HCOOH"	64.039293
"1184662"	102.343551333333	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+3Na"	68.967654
"1652371"	307.057688	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na+HCOOH"	68.994688
"162520"	553.04504	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2K-H"	76.91904
"600986"	791.10804	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2K-H"	76.91904
"1087315"	314.98204	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2K-H"	76.91904
"146692"	277.026158	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"2M+2K"	77.926316
"593911"	396.057658	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"3M+2K"	77.926316
"1082797"	157.994658	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2K"	77.926316
"1111632"	316.996592	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2K+H"	78.933592
"1340362"	317.084207	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+DMSO+H"	79.021207
"1016550"	321.123376	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2ACN+H"	83.060376
"1536863"	322.117008	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+IsoProp+Na+H"	84.054008
"1001122"	161.065326	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+2ACN+2H"	84.067652
"1599640"	323.031628	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K+HCOOH"	84.968628
"1420194"	353.063138	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+H+CF3COOH"	115.000138
"1159232"	181.578601	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+3ACN+2H"	125.094202
"1707687"	370.089685	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+NH4+CF3COOH"	132.026685
"1642245"	375.04508	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+Na+CF3COOH"	136.98208
"1583363"	391.01902	"C14137"	"6-Hydroxyflavone;6-Hydroxy-2-phenyl-4-benzopyrone"	"C15H10O3"	"238.063"	"M+K+CF3COOH"	152.95602
"813730"	150.1045	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M"	0
"989452"	131.08611	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"72227"	99.0623906666667	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"515069"	149.097224	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"893966"	49.0275573333333	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"14731"	149.097224	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"449917"	224.149474	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"829903"	74.044974	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"86613"	299.201724	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"523987"	449.306224	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"897413"	149.097224	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"51785"	316.228271	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"488430"	466.332771	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"865864"	166.123771	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"31900"	321.183666	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"472597"	471.288166	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"849671"	171.079166	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1619203"	171.079166	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"95375"	167.085563	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"543323"	242.137813	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"939030"	92.033313	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"274307"	335.178402	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"664542"	485.282902	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1276944"	185.073902	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"19866"	337.157606	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"460154"	487.262106	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"834677"	187.053106	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1558165"	187.053106	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"954075"	195.102694	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"370832"	345.207201	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"354716"	359.222851	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1498078"	209.118351	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"968907"	217.084651	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"112351"	185.073902	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"559564"	260.126152	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1027273"	110.021652	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1253774"	229.023385	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1312575"	231.079372	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1323509"	253.061329	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"913834"	263.090086	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1295652"	299.066764	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1369802"	115.091824	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1388030"	133.1018	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"285162"	301.216276	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"677580"	451.320776	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1355394"	151.111776	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H"	1.007276
"127915"	151.111776	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"567844"	226.164026	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1038585"	76.059526	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"207824"	101.076942666667	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"644953"	151.111776	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1163321"	51.0421093333333	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"424254"	318.242823	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"789775"	468.347323	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1686106"	168.138323	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"332199"	159.6250495	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"727900"	234.6772995	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1479166"	84.5727995	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"394931"	323.198218	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"755196"	473.302718	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1602875"	173.093718	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"315639"	162.102747	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"707175"	237.154997	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1461357"	87.050497	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1052878"	58.3694233333333	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1258508"	183.137986	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"378183"	339.172158	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"738929"	489.276658	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1552174"	189.067658	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+K"	38.963158
"313003"	170.089717	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"705788"	245.141967	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1459969"	95.037467	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"250961"	342.242826	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1222010"	192.138326	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1205893"	96.572801	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"201314"	345.18016	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"636497"	495.28466	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1142190"	195.07566	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"180014"	173.093718	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"626140"	248.145968	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1124178"	98.041468	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1413537"	65.6967373333333	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1435445"	197.117246	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"234259"	178.12674	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1523736"	211.16929	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"416169"	181.080688	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"771087"	256.132938	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1668756"	106.028438	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"257829"	364.224768	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1229077"	214.120268	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1721606"	214.143793	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1183680"	73.0240513333333	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1652481"	219.099188	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"161537"	377.12804	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"601096"	527.23254	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1088154"	227.02354	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"144240"	189.067658	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"584174"	264.119908	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1071968"	114.015408	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1107367"	229.038092	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1338282"	229.125707	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1017752"	233.164876	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1536974"	234.158508	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1001232"	117.086076	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1600115"	235.073128	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1422491"	265.104638	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1157155"	137.599351	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1711078"	282.131185	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1645635"	287.08658	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1578005"	303.06052	"C14138"	"2-sec-Butylphenol;2-(1-Methylpropyl)phenol"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"811655"	150.1045	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M"	0
"989162"	131.08611	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"77321"	99.0623906666667	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"515178"	149.097224	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"894079"	49.0275573333333	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"12532"	149.097224	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"450024"	224.149474	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"828920"	74.044974	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"83443"	299.201724	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"519234"	449.306224	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"897522"	149.097224	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"51896"	316.228271	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"491457"	466.332771	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"865610"	166.123771	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"32172"	321.183666	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"472343"	471.288166	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"849051"	171.079166	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1618745"	171.079166	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"96215"	167.085563	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"540153"	242.137813	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"937319"	92.033313	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"272594"	335.178402	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"665016"	485.282902	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1277054"	185.073902	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"17423"	337.157606	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"460264"	487.262106	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"838435"	187.053106	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1557548"	187.053106	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"953456"	195.102694	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"368756"	345.207201	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"353733"	359.222851	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1496730"	209.118351	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"969017"	217.084651	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"112461"	185.073902	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"557488"	260.126152	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1027383"	110.021652	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1252426"	229.023385	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1312685"	231.079372	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1323255"	253.061329	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"914312"	263.090086	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1295762"	299.066764	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1369548"	115.091824	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1388140"	133.1018	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"284908"	301.216276	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"678786"	451.320776	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1354410"	151.111776	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H"	1.007276
"127297"	151.111776	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"567954"	226.164026	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1038331"	76.059526	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"205868"	101.076942666667	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"645182"	151.111776	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1163432"	51.0421093333333	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"424467"	318.242823	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"789885"	468.347323	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1689496"	168.138323	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"335588"	159.6250495	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"730197"	234.6772995	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1478547"	84.5727995	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"394069"	323.198218	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"754942"	473.302718	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1603323"	173.093718	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"317453"	162.102747	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"707274"	237.154997	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1461621"	87.050497	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1054386"	58.3694233333333	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1260804"	183.137986	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"379381"	339.172158	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"741837"	489.276658	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1551924"	189.067658	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+K"	38.963158
"312748"	170.089717	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"704073"	245.141967	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1458986"	95.037467	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"250506"	342.242826	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1222484"	192.138326	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1205275"	96.572801	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"198874"	345.18016	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"633327"	495.28466	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1139020"	195.07566	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"177936"	173.093718	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"615310"	248.145968	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1121008"	98.041468	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1412918"	65.6967373333333	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1441023"	197.117246	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"234003"	178.12674	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1523157"	211.16929	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"416279"	181.080688	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"770712"	256.132938	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1667773"	106.028438	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"256846"	364.224768	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1227001"	214.120268	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1718801"	214.143793	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1179780"	73.0240513333333	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1653688"	219.099188	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"159815"	377.12804	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"601206"	527.23254	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1087900"	227.02354	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"143986"	189.067658	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"582340"	264.119908	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1072078"	114.015408	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1108570"	229.038092	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1338392"	229.125707	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1017862"	233.164876	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1538177"	234.158508	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"999156"	117.086076	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1601321"	235.073128	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1428072"	265.104638	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1161520"	137.599351	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1709002"	282.131185	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1647935"	287.08658	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1583583"	303.06052	"C14139"	"4-sec-Butylphenol;4-(1-Methylpropyl)phenol;1-Hydroxy-4-sec-butylbenzene"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"810670"	134.1096	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M"	0
"988215"	115.09121	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-H2O-H"	-19.01839
"76823"	88.399124	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M-3H"	-3.021828
"513831"	133.102324	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M-3H"	-3.021828
"893096"	43.695924	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-3H"	-3.021828
"12763"	133.102324	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M-2H"	-2.014552
"450134"	200.157124	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M-2H"	-2.014552
"827937"	66.047524	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-2H"	-2.014552
"86833"	267.211924	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M-H"	-1.007276
"520925"	401.321524	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M-H"	-1.007276
"898726"	133.102324	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-H"	-1.007276
"52007"	284.238471	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M-2H+NH4"	16.019271
"491567"	418.348071	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M-2H+NH4"	16.019271
"867908"	150.128871	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-2H+NH4"	16.019271
"33621"	289.193866	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M-2H+Na"	20.974666
"474640"	423.303466	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M-2H+Na"	20.974666
"850255"	155.084266	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-2H+Na"	20.974666
"1620517"	155.084266	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Na-2H"	20.974666
"96325"	151.090663	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M-H+Cl"	33.962126
"541357"	218.145463	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M-H+Cl"	33.962126
"937063"	84.035863	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-H+Cl"	33.962126
"273433"	303.188602	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+Cl"	34.969402
"665126"	437.298202	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+Cl"	34.969402
"1274977"	169.079002	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Cl"	34.969402
"16600"	305.167806	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M-2H+K"	36.948606
"459280"	439.277406	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M-2H+K"	36.948606
"835629"	171.058206	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-2H+K"	36.948606
"1558751"	171.058206	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+K-2H"	36.948606
"943022"	179.107794	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-H+HCOOH"	44.998194
"366311"	313.217401	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+HCOOH-H"	44.998201
"350192"	327.233051	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+Hac-H"	59.013851
"1495016"	193.123451	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Hac-H"	59.013851
"966940"	201.089751	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-H+NaCOOH"	66.980151
"112571"	169.079002	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+2Cl"	69.938804
"557597"	236.133802	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+2Cl"	69.938804
"1027493"	102.024202	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2Cl"	69.938804
"1252901"	213.028485	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Br"	78.918885
"1312795"	215.084472	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Cl+HCOOH"	80.974872
"1323729"	237.066429	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Cl+NaCOOH"	102.956829
"912963"	247.095186	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M-H+CF3COOH"	112.985586
"1295872"	283.071864	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Cl+CF3COOH"	148.962264
"1370022"	99.096924	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H-2H2O"	-35.012676
"1388250"	117.1069	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H-H2O"	-17.0027
"285018"	269.226476	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+H"	1.007276
"677438"	403.336076	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+H"	1.007276
"1354884"	135.116876	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H"	1.007276
"128500"	135.116876	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+2H"	2.014552
"568428"	202.171676	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+2H"	2.014552
"1040506"	68.062076	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2H"	2.014552
"204766"	90.413676	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+3H"	3.021828
"644805"	135.116876	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+3H"	3.021828
"1167915"	45.710476	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+3H"	3.021828
"426084"	286.253023	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+NH4"	18.033823
"791089"	420.362623	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+NH4"	18.033823
"1686328"	152.143423	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+NH4"	18.033823
"330475"	143.6301495	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+H+NH4"	19.041099
"728122"	210.6849495	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+H+NH4"	19.041099
"1485221"	76.5753495	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H+NH4"	19.041099
"398433"	291.208418	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+Na"	22.989218
"758335"	425.318018	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+Na"	22.989218
"1607527"	157.098818	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Na"	22.989218
"320843"	146.107847	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+H+Na"	23.996494
"708154"	213.162647	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+H+Na"	23.996494
"1462952"	79.053047	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H+Na"	23.996494
"1054253"	53.03779	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2H+Na"	25.00377
"1259090"	167.143086	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+CH3OH+H"	33.033486
"378881"	307.182358	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+K"	38.963158
"741586"	441.291958	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+K"	38.963158
"1550208"	173.072758	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+K"	38.963158
"308480"	154.094817	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+H+K"	39.970434
"701992"	221.149617	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+H+K"	39.970434
"1454719"	87.040017	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H+K"	39.970434
"245508"	310.253026	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+ACN+H"	42.033826
"1220407"	176.143426	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+ACN+H"	42.033826
"1204290"	88.575351	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+ACN+2H"	43.041102
"200440"	313.19036	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+2Na-H"	44.97116
"635625"	447.29996	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+2Na-H"	44.97116
"1142411"	179.08076	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2Na-H"	44.97116
"175858"	157.098818	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+2Na"	45.978436
"614323"	224.153618	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+2Na"	45.978436
"1120388"	90.044018	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2Na"	45.978436
"1406829"	60.365104	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H+2Na"	46.985712
"1438947"	181.122346	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H+HCOOH"	47.012746
"226456"	162.13184	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+3H2O+2H"	56.04448
"1515612"	195.17439	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+IsoProp+H"	61.06479
"415296"	165.085788	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+Na+K"	61.952376
"771061"	232.140588	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+Na+K"	61.952376
"1666338"	98.030988	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Na+K"	61.952376
"252212"	332.234968	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+ACN+Na"	64.015768
"1226745"	198.125368	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+ACN+Na"	64.015768
"1717452"	198.148893	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+NH4+HCOOH"	64.039293
"1180618"	67.692418	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+3Na"	68.967654
"1650879"	203.104288	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Na+HCOOH"	68.994688
"157859"	345.13824	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+2K-H"	76.91904
"599857"	479.24784	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+2K-H"	76.91904
"1086552"	211.02864	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2K-H"	76.91904
"142395"	173.072758	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"2M+2K"	77.926316
"583664"	240.127558	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"3M+2K"	77.926316
"1071457"	106.017958	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2K"	77.926316
"1108679"	213.043192	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2K+H"	78.933592
"1337772"	213.130807	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+DMSO+H"	79.021207
"1017972"	217.169976	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2ACN+H"	83.060376
"1536100"	218.163608	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+IsoProp+Na+H"	84.054008
"998173"	109.088626	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+2ACN+2H"	84.067652
"1601065"	219.078228	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+K+HCOOH"	84.968628
"1428182"	249.109738	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+H+CF3COOH"	115.000138
"1155188"	129.601901	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+3ACN+2H"	125.094202
"1710205"	266.136285	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+NH4+CF3COOH"	132.026685
"1648775"	271.09168	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+Na+CF3COOH"	136.98208
"1583692"	287.06562	"C14142"	"sec-Butylbenzene;(1-Methylpropyl)benzene;2-Phenylbutane"	"C10H14"	"134.1096"	"M+K+CF3COOH"	152.95602
"810780"	895.1626	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M"	0
"988325"	876.14421	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H2O-H"	-19.01839
"78383"	595.767790666667	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-3H"	-3.021828
"516127"	894.155324	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-3H"	-3.021828
"893206"	297.380257333333	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-3H"	-3.021828
"12875"	894.155324	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H"	-2.014552
"454253"	1341.736624	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H"	-2.014552
"831329"	446.574024	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H"	-2.014552
"90224"	1789.317924	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-H"	-1.007276
"525410"	2684.480524	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-H"	-1.007276
"902118"	894.155324	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H"	-1.007276
"57585"	1806.344471	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+NH4"	16.019271
"492771"	2701.507071	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+NH4"	16.019271
"871665"	911.181871	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+NH4"	16.019271
"35558"	1811.299866	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+Na"	20.974666
"474754"	2706.462466	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+Na"	20.974666
"850736"	916.137266	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+Na"	20.974666
"1620994"	916.137266	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na-2H"	20.974666
"96435"	912.143663	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-H+Cl"	33.962126
"543653"	1359.724963	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-H+Cl"	33.962126
"936080"	464.562363	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+Cl"	33.962126
"272450"	1825.294602	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Cl"	34.969402
"665965"	2720.457202	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Cl"	34.969402
"1278367"	930.132002	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl"	34.969402
"18736"	1827.273806	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+K"	36.948606
"463037"	2722.436406	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+K"	36.948606
"834642"	932.111206	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+K"	36.948606
"1559590"	932.111206	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K-2H"	36.948606
"944191"	940.160794	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+HCOOH"	44.998194
"365691"	1835.323401	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+HCOOH-H"	44.998201
"349208"	1849.339051	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Hac-H"	59.013851
"1496946"	954.176451	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Hac-H"	59.013851
"960117"	962.142751	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+NaCOOH"	66.980151
"113034"	930.132002	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Cl"	69.938804
"554426"	1377.713302	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Cl"	69.938804
"1028694"	482.550702	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Cl"	69.938804
"1248271"	974.081485	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Br"	78.918885
"1309625"	976.137472	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+HCOOH"	80.974872
"1324567"	998.119429	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+NaCOOH"	102.956829
"912584"	1008.148186	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+CF3COOH"	112.985586
"1293066"	1044.124864	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+CF3COOH"	148.962264
"1368673"	860.149924	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H-2H2O"	-35.012676
"1388360"	878.1599	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H-H2O"	-17.0027
"289141"	1791.332476	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H"	1.007276
"681195"	2686.495076	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H"	1.007276
"1355723"	896.169876	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H"	1.007276
"128611"	896.169876	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2H"	2.014552
"568538"	1343.751176	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2H"	2.014552
"1040254"	448.588576	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2H"	2.014552
"209247"	597.782342666667	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+3H"	3.021828
"644916"	896.169876	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+3H"	3.021828
"1163650"	299.394809333333	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3H"	3.021828
"428018"	1808.359023	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+NH4"	18.033823
"790106"	2703.521623	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+NH4"	18.033823
"1685343"	913.196423	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4"	18.033823
"330584"	904.6831495	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+NH4"	19.041099
"727136"	1352.2644495	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+NH4"	19.041099
"1485331"	457.1018495	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+NH4"	19.041099
"397449"	1813.314418	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Na"	22.989218
"758445"	2708.477018	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Na"	22.989218
"1608730"	918.151818	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na"	22.989218
"320953"	907.160847	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+Na"	23.996494
"709000"	1354.742147	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+Na"	23.996494
"1462090"	459.579547	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+Na"	23.996494
"1057159"	306.722123333333	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2H+Na"	25.00377
"1262120"	928.196086	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+CH3OH+H"	33.033486
"378505"	1829.288358	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+K"	38.963158
"742788"	2724.450958	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+K"	38.963158
"1550318"	934.125758	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K"	38.963158
"312962"	915.147817	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+K"	39.970434
"704294"	1362.729117	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+K"	39.970434
"1459936"	467.566517	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+K"	39.970434
"248903"	1832.359026	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+ACN+H"	42.033826
"1222705"	937.196426	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+H"	42.033826
"1206953"	469.101851	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+2H"	43.041102
"199456"	1835.29636	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Na-H"	44.97116
"636828"	2730.45896	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Na-H"	44.97116
"1143613"	940.13376	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Na-H"	44.97116
"173785"	918.151818	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Na"	45.978436
"619907"	1365.733118	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Na"	45.978436
"1120498"	470.570518	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Na"	45.978436
"1405844"	314.049437333333	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+2Na"	46.985712
"1430341"	942.175346	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+HCOOH"	47.012746
"228389"	923.18484	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+3H2O+2H"	56.04448
"1514629"	956.22739	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+IsoProp+H"	61.06479
"412491"	926.138788	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Na+K"	61.952376
"773123"	1373.720088	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Na+K"	61.952376
"1667264"	478.557488	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+K"	61.952376
"251913"	1854.340968	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+ACN+Na"	64.015768
"1225918"	959.178368	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+Na"	64.015768
"1714282"	959.201893	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4+HCOOH"	64.039293
"1179390"	321.376751333333	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3Na"	68.967654
"1649884"	964.157288	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+HCOOH"	68.994688
"157846"	1867.24424	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2K-H"	76.91904
"598869"	2762.40684	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2K-H"	76.91904
"1086303"	972.08164	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K-H"	76.91904
"144942"	934.125758	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2K"	77.926316
"583774"	1381.707058	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2K"	77.926316
"1071567"	486.544458	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K"	77.926316
"1105509"	974.096192	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K+H"	78.933592
"1338611"	974.183807	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+DMSO+H"	79.021207
"1014798"	978.222976	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2ACN+H"	83.060376
"1526361"	979.216608	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+IsoProp+Na+H"	84.054008
"998282"	489.615126	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2ACN+2H"	84.067652
"1597163"	980.131228	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K+HCOOH"	84.968628
"1421729"	1010.162738	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+CF3COOH"	115.000138
"1155298"	510.128401	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3ACN+2H"	125.094202
"1710315"	1027.189285	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4+CF3COOH"	132.026685
"1645969"	1032.14468	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+CF3COOH"	136.98208
"1583802"	1048.11862	"C14143"	"Adipyl-CoA;5-Carboxypentanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K+CF3COOH"	152.95602
"810890"	893.1469	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M"	0
"981142"	874.12851	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H2O-H"	-19.01839
"78529"	594.423990666667	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-3H"	-3.021828
"516237"	892.139624	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-3H"	-3.021828
"892223"	296.708357333333	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-3H"	-3.021828
"11889"	892.139624	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H"	-2.014552
"455627"	1338.713074	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H"	-2.014552
"827062"	445.566174	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H"	-2.014552
"88149"	1785.286524	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-H"	-1.007276
"523333"	2678.433424	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-H"	-1.007276
"898947"	892.139624	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H"	-1.007276
"52229"	1802.313071	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+NH4"	16.019271
"489603"	2695.459971	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+NH4"	16.019271
"866065"	909.166171	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+NH4"	16.019271
"32388"	1807.268466	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+Na"	20.974666
"474868"	2700.415366	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+Na"	20.974666
"849510"	914.121566	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+Na"	20.974666
"1629858"	914.121566	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na-2H"	20.974666
"96545"	910.127963	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-H+Cl"	33.962126
"543763"	1356.701413	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-H+Cl"	33.962126
"937283"	463.554513	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+Cl"	33.962126
"273653"	1821.263202	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Cl"	34.969402
"664982"	2714.410102	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Cl"	34.969402
"1279571"	928.116302	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl"	34.969402
"19940"	1823.242406	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+K"	36.948606
"463147"	2716.389306	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+K"	36.948606
"840584"	930.095506	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+K"	36.948606
"1563347"	930.095506	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K-2H"	36.948606
"949772"	938.145094	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+HCOOH"	44.998194
"366531"	1831.292001	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+HCOOH-H"	44.998201
"351876"	1845.307651	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Hac-H"	59.013851
"1498524"	952.160751	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Hac-H"	59.013851
"962782"	960.127051	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+NaCOOH"	66.980151
"114239"	928.116302	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Cl"	69.938804
"553442"	1374.689752	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Cl"	69.938804
"1026615"	481.542852	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Cl"	69.938804
"1252752"	972.065785	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Br"	78.918885
"1311922"	974.121772	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+HCOOH"	80.974872
"1323221"	996.103729	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+NaCOOH"	102.956829
"915008"	1006.132486	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+CF3COOH"	112.985586
"1293176"	1042.109164	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+CF3COOH"	148.962264
"1367690"	858.134224	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H-2H2O"	-35.012676
"1388470"	876.1442	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H-H2O"	-17.0027
"289251"	1787.301076	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H"	1.007276
"679484"	2680.447976	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H"	1.007276
"1359114"	894.154176	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H"	1.007276
"129817"	894.154176	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2H"	2.014552
"571565"	1340.727626	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2H"	2.014552
"1041459"	447.580726	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2H"	2.014552
"209358"	596.438542666667	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+3H"	3.021828
"646731"	894.154176	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+3H"	3.021828
"1170323"	298.722909333333	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3H"	3.021828
"430316"	1804.327623	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+NH4"	18.033823
"794590"	2697.474523	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+NH4"	18.033823
"1688735"	911.180723	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4"	18.033823
"337012"	902.6674495	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+NH4"	19.041099
"725059"	1349.2408995	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+NH4"	19.041099
"1485442"	456.0939995	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+NH4"	19.041099
"399746"	1809.283018	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Na"	22.989218
"758555"	2702.429918	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Na"	22.989218
"1608840"	916.136118	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na"	22.989218
"319970"	905.145147	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+Na"	23.996494
"709110"	1351.718597	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+Na"	23.996494
"1462200"	458.571697	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+Na"	23.996494
"1056176"	306.050223333333	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2H+Na"	25.00377
"1261136"	926.180386	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+CH3OH+H"	33.033486
"379713"	1825.256958	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+K"	38.963158
"749461"	2718.403858	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+K"	38.963158
"1552616"	932.110058	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K"	38.963158
"311979"	913.132117	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+K"	39.970434
"704404"	1359.705567	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+K"	39.970434
"1460047"	466.558667	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+K"	39.970434
"250922"	1828.327626	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+ACN+H"	42.033826
"1223183"	935.180726	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+H"	42.033826
"1207793"	468.094001	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+2H"	43.041102
"199204"	1831.26496	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Na-H"	44.97116
"638032"	2724.41186	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Na-H"	44.97116
"1138257"	938.11806	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Na-H"	44.97116
"173528"	916.136118	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Na"	45.978436
"617830"	1362.709568	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Na"	45.978436
"1121701"	469.562668	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Na"	45.978436
"1403767"	313.377537333333	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+2Na"	46.985712
"1431261"	940.159646	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+HCOOH"	47.012746
"232144"	921.16914	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+3H2O+2H"	56.04448
"1519113"	954.21169	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+IsoProp+H"	61.06479
"415518"	924.123088	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Na+K"	61.952376
"778699"	1370.696538	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Na+K"	61.952376
"1668833"	477.549638	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+K"	61.952376
"251577"	1850.309568	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+ACN+Na"	64.015768
"1226598"	957.162668	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+Na"	64.015768
"1717674"	957.186193	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4+HCOOH"	64.039293
"1179623"	320.704851333333	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3Na"	68.967654
"1650244"	962.141588	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+HCOOH"	68.994688
"157469"	1863.21284	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2K-H"	76.91904
"597760"	2756.35974	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2K-H"	76.91904
"1085678"	970.06594	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K-H"	76.91904
"143594"	932.110058	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2K"	77.926316
"586803"	1378.683508	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2K"	77.926316
"1070097"	485.536608	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K"	77.926316
"1105619"	972.080492	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K+H"	78.933592
"1338355"	972.168107	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+DMSO+H"	79.021207
"1011628"	976.207276	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2ACN+H"	83.060376
"1526835"	977.200908	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+IsoProp+Na+H"	84.054008
"1002766"	488.607276	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2ACN+2H"	84.067652
"1597274"	978.115528	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K+HCOOH"	84.968628
"1426944"	1008.147038	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+CF3COOH"	115.000138
"1161608"	509.120551	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3ACN+2H"	125.094202
"1712376"	1025.173585	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4+CF3COOH"	132.026685
"1648265"	1030.12898	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+CF3COOH"	136.98208
"1583913"	1046.10292	"C14144"	"5-Carboxy-2-pentenoyl-CoA;23-Didehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K+CF3COOH"	152.95602
"804439"	911.1575	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M"	0
"974333"	892.13911	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H2O-H"	-19.01839
"74966"	606.431057333333	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-3H"	-3.021828
"506870"	910.150224	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-3H"	-3.021828
"893425"	302.711890666667	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-3H"	-3.021828
"14187"	910.150224	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H"	-2.014552
"453748"	1365.728974	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H"	-2.014552
"827172"	454.571474	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H"	-2.014552
"84979"	1821.307724	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-H"	-1.007276
"522350"	2732.465224	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-H"	-1.007276
"897964"	910.150224	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H"	-1.007276
"48330"	1838.334271	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H+NH4"	16.019271
"488620"	2749.491771	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H+NH4"	16.019271
"866417"	927.176771	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H+NH4"	16.019271
"33953"	1843.289666	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H+Na"	20.974666
"476071"	2754.447166	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H+Na"	20.974666
"848687"	932.132166	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H+Na"	20.974666
"1629968"	932.132166	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na-2H"	20.974666
"99936"	928.138563	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-H+Cl"	33.962126
"543873"	1383.717313	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-H+Cl"	33.962126
"934113"	472.559813	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+Cl"	33.962126
"274858"	1857.284402	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Cl"	34.969402
"662905"	2768.441902	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+Cl"	34.969402
"1275671"	946.126902	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl"	34.969402
"17984"	1859.263606	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M-2H+K"	36.948606
"462893"	2770.421106	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M-2H+K"	36.948606
"838872"	948.106106	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-2H+K"	36.948606
"1563093"	948.106106	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K-2H"	36.948606
"948790"	956.155694	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+HCOOH"	44.998194
"373205"	1867.313201	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+HCOOH-H"	44.998201
"353810"	1881.328851	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Hac-H"	59.013851
"1499728"	970.171351	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Hac-H"	59.013851
"965084"	978.137651	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+NaCOOH"	66.980151
"116177"	946.126902	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2Cl"	69.938804
"551365"	1401.705652	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2Cl"	69.938804
"1027819"	490.548152	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2Cl"	69.938804
"1249583"	990.076385	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Br"	78.918885
"1309843"	992.132372	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl+HCOOH"	80.974872
"1323331"	1014.114329	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl+NaCOOH"	102.956829
"914025"	1024.143086	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M-H+CF3COOH"	112.985586
"1289635"	1060.119764	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Cl+CF3COOH"	148.962264
"1367798"	876.144824	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H-2H2O"	-35.012676
"1383839"	894.1548	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H-H2O"	-17.0027
"284257"	1823.322276	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H"	1.007276
"678501"	2734.479776	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H"	1.007276
"1351688"	912.164776	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H"	1.007276
"128833"	912.164776	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2H"	2.014552
"568394"	1367.743526	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2H"	2.014552
"1041567"	456.586026	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2H"	2.014552
"207281"	608.445609333333	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+3H"	3.021828
"646841"	912.164776	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+3H"	3.021828
"1166059"	304.726442666667	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+3H"	3.021828
"430425"	1840.348823	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+NH4"	18.033823
"791420"	2751.506323	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+NH4"	18.033823
"1685564"	929.191323	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+NH4"	18.033823
"336030"	920.6780495	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H+NH4"	19.041099
"730637"	1376.2567995	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H+NH4"	19.041099
"1480085"	465.0992995	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+NH4"	19.041099
"402044"	1845.304218	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Na"	22.989218
"756478"	2756.461718	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+Na"	22.989218
"1608951"	934.146718	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na"	22.989218
"323361"	923.155747	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H+Na"	23.996494
"710314"	1378.734497	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H+Na"	23.996494
"1462189"	467.576997	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+Na"	23.996494
"1054221"	312.053756666667	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2H+Na"	25.00377
"1262340"	944.190986	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+CH3OH+H"	33.033486
"378729"	1861.278158	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+K"	38.963158
"739725"	2772.435658	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+K"	38.963158
"1551633"	950.120658	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K"	38.963158
"309903"	931.142717	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+H+K"	39.970434
"704514"	1386.721467	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+H+K"	39.970434
"1461091"	475.563967	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+K"	39.970434
"249488"	1864.348826	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+ACN+H"	42.033826
"1221469"	953.191326	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+ACN+H"	42.033826
"1206445"	477.099301	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+ACN+2H"	43.041102
"198585"	1867.28616	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2Na-H"	44.97116
"639236"	2778.44366	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2Na-H"	44.97116
"1141647"	956.12866	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2Na-H"	44.97116
"176189"	934.146718	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2Na"	45.978436
"613684"	1389.725468	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2Na"	45.978436
"1120718"	478.567968	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2Na"	45.978436
"1403513"	319.381070666667	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+2Na"	46.985712
"1431252"	958.170246	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+HCOOH"	47.012746
"232254"	939.17974	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+3H2O+2H"	56.04448
"1520316"	972.22229	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+IsoProp+H"	61.06479
"415628"	942.133688	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+Na+K"	61.952376
"777716"	1397.712438	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+Na+K"	61.952376
"1668578"	486.554938	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na+K"	61.952376
"251889"	1886.330768	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+ACN+Na"	64.015768
"1226465"	975.173268	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+ACN+Na"	64.015768
"1714867"	975.196793	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+NH4+HCOOH"	64.039293
"1179167"	326.708384666667	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+3Na"	68.967654
"1650030"	980.152188	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na+HCOOH"	68.994688
"157864"	1899.23404	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2K-H"	76.91904
"597303"	2810.39154	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2K-H"	76.91904
"1085425"	988.07654	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2K-H"	76.91904
"144069"	950.120658	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"2M+2K"	77.926316
"586913"	1405.699408	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"3M+2K"	77.926316
"1070450"	494.541908	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2K"	77.926316
"1102448"	990.091092	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2K+H"	78.933592
"1338463"	990.178707	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+DMSO+H"	79.021207
"1010644"	994.217876	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2ACN+H"	83.060376
"1527674"	995.211508	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+IsoProp+Na+H"	84.054008
"1001784"	497.612576	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+2ACN+2H"	84.067652
"1599570"	996.126128	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K+HCOOH"	84.968628
"1425229"	1026.157638	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+H+CF3COOH"	115.000138
"1161715"	518.125851	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+3ACN+2H"	125.094202
"1712528"	1043.184185	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+NH4+CF3COOH"	132.026685
"1648376"	1048.13958	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+Na+CF3COOH"	136.98208
"1584023"	1064.11352	"C14145"	"(3S)-3-Hydroxyadipyl-CoA"	"C27H44N7O20P3S"	"911.1575"	"M+K+CF3COOH"	152.95602
"807829"	538.4539	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M"	0
"974756"	519.43551	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-H2O-H"	-19.01839
"76534"	357.961990666667	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M-3H"	-3.021828
"510260"	537.446624	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M-3H"	-3.021828
"893533"	178.477357333333	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-3H"	-3.021828
"11743"	537.446624	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H"	-2.014552
"453857"	806.673574	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H"	-2.014552
"825095"	268.219674	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-2H"	-2.014552
"85089"	1075.900524	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M-H"	-1.007276
"524646"	1614.354424	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M-H"	-1.007276
"898074"	537.446624	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-H"	-1.007276
"51356"	1092.927071	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H+NH4"	16.019271
"492010"	1631.380971	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H+NH4"	16.019271
"866533"	554.473171	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-2H+NH4"	16.019271
"31879"	1097.882466	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H+Na"	20.974666
"475088"	1636.336366	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H+Na"	20.974666
"852890"	559.428566	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-2H+Na"	20.974666
"1630078"	559.428566	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Na-2H"	20.974666
"100046"	555.434963	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M-H+Cl"	33.962126
"545077"	824.661913	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M-H+Cl"	33.962126
"936046"	286.208013	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-H+Cl"	33.962126
"272781"	1111.877202	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+Cl"	34.969402
"661191"	1650.331102	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+Cl"	34.969402
"1276145"	573.423302	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl"	34.969402
"16879"	1113.856406	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M-2H+K"	36.948606
"459724"	1652.310306	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M-2H+K"	36.948606
"838618"	575.402506	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-2H+K"	36.948606
"1564296"	575.402506	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+K-2H"	36.948606
"949993"	583.452094	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-H+HCOOH"	44.998194
"371493"	1121.906001	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+HCOOH-H"	44.998201
"353189"	1135.921651	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+Hac-H"	59.013851
"1499838"	597.467751	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Hac-H"	59.013851
"967381"	605.434051	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-H+NaCOOH"	66.980151
"114100"	573.423302	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+2Cl"	69.938804
"553662"	842.650252	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+2Cl"	69.938804
"1023919"	304.196352	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2Cl"	69.938804
"1244592"	617.372785	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Br"	78.918885
"1311049"	619.428772	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl+HCOOH"	80.974872
"1323078"	641.410729	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl+NaCOOH"	102.956829
"916323"	651.439486	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M-H+CF3COOH"	112.985586
"1290477"	687.416164	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Cl+CF3COOH"	148.962264
"1368634"	503.441224	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H-2H2O"	-35.012676
"1383579"	521.4512	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H-H2O"	-17.0027
"283632"	1077.915076	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+H"	1.007276
"678611"	1616.368976	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+H"	1.007276
"1352771"	539.461176	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H"	1.007276
"130036"	539.461176	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+2H"	2.014552
"569598"	808.688126	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+2H"	2.014552
"1040585"	270.234226	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2H"	2.014552
"206297"	359.976542666667	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+3H"	3.021828
"646951"	539.461176	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+3H"	3.021828
"1168357"	180.491909333333	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+3H"	3.021828
"431629"	1094.941623	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+NH4"	18.033823
"793717"	1633.395523	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+NH4"	18.033823
"1684581"	556.487723	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+NH4"	18.033823
"333953"	547.9744495	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+H+NH4"	19.041099
"728561"	817.2013995	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+H+NH4"	19.041099
"1480195"	278.7474995	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H+NH4"	19.041099
"394620"	1099.897018	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+Na"	22.989218
"754640"	1638.350918	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+Na"	22.989218
"1606874"	561.443118	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Na"	22.989218
"316910"	550.452147	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+H+Na"	23.996494
"708108"	819.679097	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+H+Na"	23.996494
"1463027"	281.225197	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H+Na"	23.996494
"1054083"	187.819223333333	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2H+Na"	25.00377
"1259164"	571.487386	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+CH3OH+H"	33.033486
"378837"	1115.870958	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+K"	38.963158
"738981"	1654.324858	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+K"	38.963158
"1550650"	577.417058	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+K"	38.963158
"308920"	558.439117	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+H+K"	39.970434
"702437"	827.666067	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+H+K"	39.970434
"1459903"	289.212167	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H+K"	39.970434
"245952"	1118.941626	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+ACN+H"	42.033826
"1221578"	580.487726	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+ACN+H"	42.033826
"1203634"	290.747501	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+ACN+2H"	43.041102
"198694"	1121.87896	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+2Na-H"	44.97116
"638252"	1660.33286	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+2Na-H"	44.97116
"1137383"	583.42506	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2Na-H"	44.97116
"174355"	561.443118	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+2Na"	45.978436
"613140"	830.670068	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+2Na"	45.978436
"1120828"	292.216168	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2Na"	45.978436
"1403259"	195.146537333333	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H+2Na"	46.985712
"1431119"	585.466646	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H+HCOOH"	47.012746
"219989"	566.47614	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+3H2O+2H"	56.04448
"1518238"	599.51869	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+IsoProp+H"	61.06479
"416831"	569.430088	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+Na+K"	61.952376
"777826"	838.657038	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+Na+K"	61.952376
"1668324"	300.203138	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Na+K"	61.952376
"251836"	1140.923568	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+ACN+Na"	64.015768
"1225926"	602.469668	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+ACN+Na"	64.015768
"1714978"	602.493193	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+NH4+HCOOH"	64.039293
"1179237"	202.473851333333	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+3Na"	68.967654
"1650592"	607.448588	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Na+HCOOH"	68.994688
"157607"	1153.82684	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+2K-H"	76.91904
"598103"	1692.28074	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+2K-H"	76.91904
"1085899"	615.37294	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2K-H"	76.91904
"144179"	577.417058	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"2M+2K"	77.926316
"585930"	846.644008	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"3M+2K"	77.926316
"1069710"	308.190108	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2K"	77.926316
"1102558"	617.387492	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2K+H"	78.933592
"1338938"	617.475107	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+DMSO+H"	79.021207
"1010754"	621.514276	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2ACN+H"	83.060376
"1525962"	622.507908	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+IsoProp+Na+H"	84.054008
"1001894"	311.260776	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+2ACN+2H"	84.067652
"1599683"	623.422528	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+K+HCOOH"	84.968628
"1427527"	653.454038	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+H+CF3COOH"	115.000138
"1162190"	331.774051	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+3ACN+2H"	125.094202
"1712476"	670.480585	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+NH4+CF3COOH"	132.026685
"1647393"	675.43598	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+Na+CF3COOH"	136.98208
"1584133"	691.40992	"C14146"	"alpha-Zeacarotene"	"C40H58"	"538.4539"	"M+K+CF3COOH"	152.95602
"807939"	166.0967	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M"	0
"976003"	147.07831	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-H2O-H"	-19.01839
"77980"	109.723857333333	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M-3H"	-3.021828
"510370"	165.089424	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M-3H"	-3.021828
"893644"	54.3582906666667	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-3H"	-3.021828
"13312"	165.089424	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M-2H"	-2.014552
"454332"	248.137774	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M-2H"	-2.014552
"827394"	82.041074	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-2H"	-2.014552
"87386"	331.186124	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M-H"	-1.007276
"528038"	497.282824	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M-H"	-1.007276
"902559"	165.089424	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-H"	-1.007276
"53652"	348.212671	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M-2H+NH4"	16.019271
"495399"	514.309371	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M-2H+NH4"	16.019271
"869920"	182.115971	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-2H+NH4"	16.019271
"34544"	353.168066	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M-2H+Na"	20.974666
"475198"	519.264766	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M-2H+Na"	20.974666
"853000"	187.071366	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-2H+Na"	20.974666
"1630188"	187.071366	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Na-2H"	20.974666
"103436"	183.077763	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M-H+Cl"	33.962126
"545919"	266.126113	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M-H+Cl"	33.962126
"933242"	100.029413	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-H+Cl"	33.962126
"269976"	367.162802	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+Cl"	34.969402
"663491"	533.259502	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+Cl"	34.969402
"1274070"	201.066102	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Cl"	34.969402
"16745"	369.142006	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M-2H+K"	36.948606
"459834"	535.238706	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M-2H+K"	36.948606
"847119"	203.045306	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-2H+K"	36.948606
"1567690"	203.045306	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+K-2H"	36.948606
"954480"	211.094894	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-H+HCOOH"	44.998194
"370510"	377.191601	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+HCOOH-H"	44.998201
"352206"	391.207251	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+Hac-H"	59.013851
"1499948"	225.110551	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Hac-H"	59.013851
"966397"	233.076851	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-H+NaCOOH"	66.980151
"119680"	201.066102	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+2Cl"	69.938804
"551586"	284.114452	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+2Cl"	69.938804
"1022208"	118.017752	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2Cl"	69.938804
"1241742"	245.015585	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Br"	78.918885
"1304314"	247.071572	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Cl+HCOOH"	80.974872
"1326468"	269.053529	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Cl+NaCOOH"	102.956829
"915340"	279.082286	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M-H+CF3COOH"	112.985586
"1290953"	315.058964	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Cl+CF3COOH"	148.962264
"1377860"	131.084024	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H-2H2O"	-35.012676
"1385517"	149.094	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H-H2O"	-17.0027
"282918"	333.200676	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+H"	1.007276
"678721"	499.297376	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+H"	1.007276
"1351907"	167.103976	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H"	1.007276
"131240"	167.103976	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+2H"	2.014552
"567886"	250.152326	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+2H"	2.014552
"1042882"	84.055626	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2H"	2.014552
"209688"	111.738409333333	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+3H"	3.021828
"650342"	167.103976	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+3H"	3.021828
"1169562"	56.3728426666667	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+3H"	3.021828
"428460"	350.227223	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+NH4"	18.033823
"790549"	516.323923	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+NH4"	18.033823
"1689067"	184.130523	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+NH4"	18.033823
"337346"	175.6172495	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+H+NH4"	19.041099
"729768"	258.6655995	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+H+NH4"	19.041099
"1486869"	92.5688995	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H+NH4"	19.041099
"405549"	355.182618	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+Na"	22.989218
"765452"	521.279318	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+Na"	22.989218
"1614646"	189.085918	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Na"	22.989218
"326866"	178.094947	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+H+Na"	23.996494
"708468"	261.143297	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+H+Na"	23.996494
"1461842"	95.046597	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H+Na"	23.996494
"1056507"	63.7001566666667	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2H+Na"	25.00377
"1269122"	199.130186	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+CH3OH+H"	33.033486
"386604"	371.156558	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+K"	38.963158
"741038"	537.253258	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+K"	38.963158
"1548571"	205.059858	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+K"	38.963158
"309029"	186.081917	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+H+K"	39.970434
"703641"	269.130267	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+H+K"	39.970434
"1458920"	103.033567	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H+K"	39.970434
"246791"	374.227226	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+ACN+H"	42.033826
"1221320"	208.130526	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+ACN+H"	42.033826
"1204837"	104.568901	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+ACN+2H"	43.041102
"199534"	377.16456	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+2Na-H"	44.97116
"639092"	543.26126	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+2Na-H"	44.97116
"1141142"	211.06786	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2Na-H"	44.97116
"181879"	189.085918	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+2Na"	45.978436
"619250"	272.134268	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+2Na"	45.978436
"1128840"	106.037568	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2Na"	45.978436
"1406286"	71.0274706666667	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H+2Na"	46.985712
"1434391"	213.109446	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H+HCOOH"	47.012746
"225910"	194.11894	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+3H2O+2H"	56.04448
"1516525"	227.16149	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+IsoProp+H"	61.06479
"418035"	197.072888	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+Na+K"	61.952376
"780124"	280.121238	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+Na+K"	61.952376
"1676453"	114.024538	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Na+K"	61.952376
"256412"	396.209168	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+ACN+Na"	64.015768
"1230214"	230.112468	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+ACN+Na"	64.015768
"1716913"	230.135993	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+NH4+HCOOH"	64.039293
"1179716"	78.3547846666667	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+3Na"	68.967654
"1650094"	235.091388	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Na+HCOOH"	68.994688
"158293"	409.11244	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+2K-H"	76.91904
"597609"	575.20914	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+2K-H"	76.91904
"1086737"	243.01574	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2K-H"	76.91904
"145017"	205.059858	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"2M+2K"	77.926316
"583363"	288.108208	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"3M+2K"	77.926316
"1069577"	122.011508	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2K"	77.926316
"1102667"	245.030292	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2K+H"	78.933592
"1337221"	245.117907	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+DMSO+H"	79.021207
"1007582"	249.157076	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2ACN+H"	83.060376
"1526798"	250.150708	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+IsoProp+Na+H"	84.054008
"999818"	125.082176	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+2ACN+2H"	84.067652
"1596510"	251.065328	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+K+HCOOH"	84.968628
"1423260"	281.096838	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+H+CF3COOH"	115.000138
"1160110"	145.595451	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+3ACN+2H"	125.094202
"1705287"	298.123385	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+NH4+CF3COOH"	132.026685
"1648593"	303.07878	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+Na+CF3COOH"	136.98208
"1584243"	319.05272	"C14147"	"Cyromazine;Cyclopropylmelamine;2-Cyclopropylamino-46-diamino-s-triazine"	"C6H10N6"	"166.0967"	"M+K+CF3COOH"	152.95602
"804769"	167.0807	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M"	0
"975382"	148.06231	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-H2O-H"	-19.01839
"72013"	110.379857333333	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M-3H"	-3.021828
"510480"	166.073424	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M-3H"	-3.021828
"891564"	54.6862906666667	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-3H"	-3.021828
"11963"	166.073424	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M-2H"	-2.014552
"448607"	249.613774	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M-2H"	-2.014552
"828594"	82.533074	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-2H"	-2.014552
"90773"	333.154124	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M-H"	-1.007276
"528147"	500.234824	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M-H"	-1.007276
"900481"	166.073424	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-H"	-1.007276
"53761"	350.180671	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M-2H+NH4"	16.019271
"492229"	517.261371	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M-2H+NH4"	16.019271
"870030"	183.099971	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-2H+NH4"	16.019271
"35747"	355.136066	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M-2H+Na"	20.974666
"475308"	522.216766	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M-2H+Na"	20.974666
"854203"	188.055366	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-2H+Na"	20.974666
"1630298"	188.055366	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Na-2H"	20.974666
"102453"	184.061763	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M-H+Cl"	33.962126
"543114"	267.602113	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M-H+Cl"	33.962126
"932259"	100.521413	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-H+Cl"	33.962126
"270086"	369.130802	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+Cl"	34.969402
"663601"	536.211502	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+Cl"	34.969402
"1274909"	202.050102	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Cl"	34.969402
"16125"	371.110006	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M-2H+K"	36.948606
"460308"	538.190706	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M-2H+K"	36.948606
"847958"	204.029306	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-2H+K"	36.948606
"1569258"	204.029306	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+K-2H"	36.948606
"955685"	212.078894	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-H+HCOOH"	44.998194
"367341"	379.159601	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+HCOOH-H"	44.998201
"349400"	393.175251	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+Hac-H"	59.013851
"1500057"	226.094551	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Hac-H"	59.013851
"967599"	234.060851	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-H+NaCOOH"	66.980151
"123071"	202.050102	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+2Cl"	69.938804
"556070"	285.590452	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+2Cl"	69.938804
"1028151"	118.509752	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2Cl"	69.938804
"1245541"	245.999585	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Br"	78.918885
"1316736"	248.055572	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Cl+HCOOH"	80.974872
"1333869"	270.037529	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Cl+NaCOOH"	102.956829
"920918"	280.066286	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M-H+CF3COOH"	112.985586
"1293252"	316.042964	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Cl+CF3COOH"	148.962264
"1372505"	132.068024	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H-2H2O"	-35.012676
"1386354"	150.078	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H-H2O"	-17.0027
"284946"	335.168676	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+H"	1.007276
"678831"	502.249376	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+H"	1.007276
"1352262"	168.087976	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H"	1.007276
"130257"	168.087976	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+2H"	2.014552
"569818"	251.628326	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+2H"	2.014552
"1040805"	84.547626	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2H"	2.014552
"211990"	112.394409333333	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+3H"	3.021828
"653734"	168.087976	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+3H"	3.021828
"1169672"	56.7008426666667	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+3H"	3.021828
"428571"	352.195223	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+NH4"	18.033823
"793942"	519.275923	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+NH4"	18.033823
"1688086"	185.114523	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+NH4"	18.033823
"335272"	176.6012495	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+H+NH4"	19.041099
"726600"	260.1415995	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+H+NH4"	19.041099
"1483701"	93.0608995	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H+NH4"	19.041099
"406391"	357.150618	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+Na"	22.989218
"768479"	524.231318	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+Na"	22.989218
"1615484"	190.069918	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Na"	22.989218
"323696"	179.078947	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+H+Na"	23.996494
"708456"	262.619297	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+H+Na"	23.996494
"1467747"	95.538597	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H+Na"	23.996494
"1054431"	64.0281566666667	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2H+Na"	25.00377
"1267046"	200.114186	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+CH3OH+H"	33.033486
"382342"	373.124558	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+K"	38.963158
"741149"	540.205258	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+K"	38.963158
"1545397"	206.043858	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+K"	38.963158
"310232"	187.065917	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+H+K"	39.970434
"706059"	270.606267	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+H+K"	39.970434
"1459390"	103.525567	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H+K"	39.970434
"250059"	376.195226	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+ACN+H"	42.033826
"1222891"	209.114526	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+ACN+H"	42.033826
"1206773"	105.060901	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+ACN+2H"	43.041102
"196728"	379.13256	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+2Na-H"	44.97116
"638475"	546.21326	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+2Na-H"	44.97116
"1138699"	212.05186	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2Na-H"	44.97116
"179800"	190.069918	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+2Na"	45.978436
"618266"	273.610268	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+2Na"	45.978436
"1125058"	106.529568	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2Na"	45.978436
"1405303"	71.3554706666667	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H+2Na"	46.985712
"1434500"	214.093446	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H+HCOOH"	47.012746
"226019"	195.10294	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+3H2O+2H"	56.04448
"1515177"	228.14549	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+IsoProp+H"	61.06479
"413771"	198.056888	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+Na+K"	61.952376
"772214"	281.597238	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+Na+K"	61.952376
"1670002"	114.516538	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Na+K"	61.952376
"253606"	398.177168	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+ACN+Na"	64.015768
"1229230"	231.096468	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+ACN+Na"	64.015768
"1715201"	231.119993	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+NH4+HCOOH"	64.039293
"1179581"	78.6827846666667	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+3Na"	68.967654
"1650200"	236.075388	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Na+HCOOH"	68.994688
"158274"	411.08044	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+2K-H"	76.91904
"597957"	578.16114	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+2K-H"	76.91904
"1085751"	243.99974	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2K-H"	76.91904
"144033"	206.043858	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"2M+2K"	77.926316
"583229"	289.584208	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"3M+2K"	77.926316
"1069200"	122.503508	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2K"	77.926316
"1102044"	246.014292	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2K+H"	78.933592
"1337330"	246.101907	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+DMSO+H"	79.021207
"1007448"	250.141076	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2ACN+H"	83.060376
"1525085"	251.134708	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+IsoProp+Na+H"	84.054008
"996645"	125.574176	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+2ACN+2H"	84.067652
"1597712"	252.049328	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+K+HCOOH"	84.968628
"1421183"	282.080838	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+H+CF3COOH"	115.000138
"1154752"	146.087451	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+3ACN+2H"	125.094202
"1711959"	299.107385	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+NH4+CF3COOH"	132.026685
"1646515"	304.06278	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+Na+CF3COOH"	136.98208
"1577792"	320.03672	"C14148"	"N-Cyclopropylammeline;2-Hydroxy-4-amino-6-(cyclopropylamino)-135-triazine"	"C6H9N5O"	"167.0807"	"M+K+CF3COOH"	152.95602
"815453"	168.0647	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M"	0
"981693"	149.04631	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-H2O-H"	-19.01839
"77228"	111.035857333333	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M-3H"	-3.021828
"510590"	167.057424	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M-3H"	-3.021828
"891679"	55.0142906666667	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-3H"	-3.021828
"12806"	167.057424	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M-2H"	-2.014552
"452729"	251.089774	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M-2H"	-2.014552
"829436"	83.025074	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-2H"	-2.014552
"87602"	335.122124	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M-H"	-1.007276
"527166"	503.186824	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M-H"	-1.007276
"900591"	167.057424	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-H"	-1.007276
"50592"	352.148671	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M-2H+NH4"	16.019271
"494525"	520.213371	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M-2H+NH4"	16.019271
"866861"	184.083971	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-2H+NH4"	16.019271
"36950"	357.104066	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M-2H+Na"	20.974666
"475416"	525.168766	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M-2H+Na"	20.974666
"856501"	189.039366	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-2H+Na"	20.974666
"1630408"	189.039366	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Na-2H"	20.974666
"98188"	185.045763	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M-H+Cl"	33.962126
"544318"	269.078113	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M-H+Cl"	33.962126
"934555"	101.013413	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-H+Cl"	33.962126
"272020"	371.098802	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+Cl"	34.969402
"663347"	539.163502	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+Cl"	34.969402
"1279031"	203.034102	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Cl"	34.969402
"18670"	373.078006	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M-2H+K"	36.948606
"460054"	541.142706	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M-2H+K"	36.948606
"846977"	205.013306	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-2H+K"	36.948606
"1569734"	205.013306	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+K-2H"	36.948606
"955431"	213.062894	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-H+HCOOH"	44.998194
"372922"	381.127601	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+HCOOH-H"	44.998201
"356805"	395.143251	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+Hac-H"	59.013851
"1499078"	227.078551	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Hac-H"	59.013851
"966618"	235.044851	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-H+NaCOOH"	66.980151
"123180"	203.034102	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+2Cl"	69.938804
"560553"	287.066452	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+2Cl"	69.938804
"1029354"	119.001752	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2Cl"	69.938804
"1253307"	246.983585	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Br"	78.918885
"1316849"	249.039572	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Cl+HCOOH"	80.974872
"1333980"	271.021529	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Cl+NaCOOH"	102.956829
"921028"	281.050286	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M-H+CF3COOH"	112.985586
"1299924"	317.026964	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Cl+CF3COOH"	148.962264
"1375898"	133.052024	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H-2H2O"	-35.012676
"1385740"	151.062	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H-H2O"	-17.0027
"283603"	337.136676	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+H"	1.007276
"678941"	505.201376	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+H"	1.007276
"1353106"	169.071976	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H"	1.007276
"131460"	169.071976	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+2H"	2.014552
"576493"	253.104326	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+2H"	2.014552
"1044200"	85.039626	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2H"	2.014552
"212100"	113.050409333333	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+3H"	3.021828
"648381"	169.071976	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+3H"	3.021828
"1164316"	57.0288426666667	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+3H"	3.021828
"426496"	354.163223	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+NH4"	18.033823
"789678"	522.227923	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+NH4"	18.033823
"1687102"	186.098523	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+NH4"	18.033823
"335378"	177.5852495	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+H+NH4"	19.041099
"729987"	261.6175995	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+H+NH4"	19.041099
"1485992"	93.5528995	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H+NH4"	19.041099
"400300"	359.118618	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+Na"	22.989218
"761295"	527.183318	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+Na"	22.989218
"1607933"	191.053918	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Na"	22.989218
"321615"	180.062947	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+H+Na"	23.996494
"712213"	264.095297	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+H+Na"	23.996494
"1468950"	96.030597	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H+Na"	23.996494
"1062199"	64.3561566666667	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2H+Na"	25.00377
"1262783"	201.098186	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+CH3OH+H"	33.033486
"382453"	375.092558	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+K"	38.963158
"740529"	543.157258	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+K"	38.963158
"1547696"	207.027858	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+K"	38.963158
"305965"	188.049917	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+H+K"	39.970434
"707063"	272.082267	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+H+K"	39.970434
"1457685"	104.017567	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H+K"	39.970434
"248836"	378.163226	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+ACN+H"	42.033826
"1220088"	210.098526	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+ACN+H"	42.033826
"1206522"	105.552901	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+ACN+2H"	43.041102
"200486"	381.10056	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+2Na-H"	44.97116
"641868"	549.16526	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+2Na-H"	44.97116
"1138809"	213.03586	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2Na-H"	44.97116
"178819"	191.053918	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+2Na"	45.978436
"623849"	275.086268	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+2Na"	45.978436
"1124073"	107.021568	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2Na"	45.978436
"1407602"	71.6834706666667	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H+2Na"	46.985712
"1440811"	215.077446	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H+HCOOH"	47.012746
"231598"	196.08694	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+3H2O+2H"	56.04448
"1517474"	229.12949	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+IsoProp+H"	61.06479
"417161"	199.040888	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+Na+K"	61.952376
"771717"	283.073238	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+Na+K"	61.952376
"1669020"	115.008538	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Na+K"	61.952376
"252624"	400.145168	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+ACN+Na"	64.015768
"1225817"	232.080468	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+ACN+Na"	64.015768
"1714948"	232.103993	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+NH4+HCOOH"	64.039293
"1179367"	79.0107846666667	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+3Na"	68.967654
"1651283"	237.059388	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Na+HCOOH"	68.994688
"158631"	413.04844	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+2K-H"	76.91904
"603182"	581.11314	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+2K-H"	76.91904
"1086600"	244.98374	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2K-H"	76.91904
"144142"	207.027858	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"2M+2K"	77.926316
"586261"	291.060208	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"3M+2K"	77.926316
"1074054"	122.995508	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2K"	77.926316
"1101185"	246.998292	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2K+H"	78.933592
"1343648"	247.085907	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+DMSO+H"	79.021207
"1006828"	251.125076	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2ACN+H"	83.060376
"1525925"	252.118708	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+IsoProp+Na+H"	84.054008
"997847"	126.066176	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+2ACN+2H"	84.067652
"1598919"	253.033328	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+K+HCOOH"	84.968628
"1424575"	283.064838	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+H+CF3COOH"	115.000138
"1159237"	146.579451	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+3ACN+2H"	125.094202
"1711705"	300.091385	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+NH4+CF3COOH"	132.026685
"1646625"	305.04678	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+Na+CF3COOH"	136.98208
"1577902"	321.02072	"C14149"	"N-Cyclopropylammelide;24-Dihydroxy-6-(cyclopropylamino)-135-triazine"	"C6H8N4O2"	"168.0647"	"M+K+CF3COOH"	152.95602
"808269"	57.0578	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M"	0
"976332"	38.03941	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-H2O-H"	-19.01839
"65671"	37.0312573333333	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M-3H"	-3.021828
"511793"	56.050524	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M-3H"	-3.021828
"891788"	18.0119906666667	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-3H"	-3.021828
"14374"	56.050524	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M-2H"	-2.014552
"452838"	84.579424	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M-2H"	-2.014552
"831002"	27.521624	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-2H"	-2.014552
"87712"	113.108324	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M-H"	-1.007276
"530555"	170.166124	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M-H"	-1.007276
"903981"	56.050524	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-H"	-1.007276
"51795"	130.134871	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M-2H+NH4"	16.019271
"489894"	187.192671	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M-2H+NH4"	16.019271
"866971"	73.077071	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-2H+NH4"	16.019271
"38153"	135.090266	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M-2H+Na"	20.974666
"474433"	192.148066	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M-2H+Na"	20.974666
"856611"	78.032466	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-2H+Na"	20.974666
"1627237"	78.032466	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Na-2H"	20.974666
"100485"	74.038863	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M-H+Cl"	33.962126
"545157"	102.567763	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M-H+Cl"	33.962126
"933572"	45.509963	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-H+Cl"	33.962126
"272130"	149.085002	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+Cl"	34.969402
"666738"	206.142802	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+Cl"	34.969402
"1276954"	92.027202	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Cl"	34.969402
"19872"	151.064206	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M-2H+K"	36.948606
"462350"	208.122006	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M-2H+K"	36.948606
"846355"	94.006406	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-2H+K"	36.948606
"1570209"	94.006406	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+K-2H"	36.948606
"954812"	102.055994	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-H+HCOOH"	44.998194
"374119"	159.113801	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+HCOOH-H"	44.998201
"351442"	173.129451	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+Hac-H"	59.013851
"1498088"	116.071651	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Hac-H"	59.013851
"969644"	124.037951	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-H+NaCOOH"	66.980151
"123291"	92.027202	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+2Cl"	69.938804
"559570"	120.556102	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+2Cl"	69.938804
"1031652"	63.498302	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2Cl"	69.938804
"1253416"	135.976685	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Br"	78.918885
"1314770"	138.032672	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Cl+HCOOH"	80.974872
"1330080"	160.014629	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Cl+NaCOOH"	102.956829
"921138"	170.043386	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M-H+CF3COOH"	112.985586
"1296754"	206.020064	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Cl+CF3COOH"	148.962264
"1378196"	22.045124	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H-2H2O"	-35.012676
"1385850"	40.0551	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H-H2O"	-17.0027
"283467"	115.122876	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+H"	1.007276
"679051"	172.180676	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+H"	1.007276
"1353215"	58.065076	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H"	1.007276
"130476"	58.065076	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+2H"	2.014552
"577696"	86.593976	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+2H"	2.014552
"1044310"	29.536176	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2H"	2.014552
"212210"	39.0458093333333	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+3H"	3.021828
"647397"	58.065076	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+3H"	3.021828
"1166614"	20.0265426666667	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+3H"	3.021828
"432072"	132.149423	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+NH4"	18.033823
"790882"	189.207223	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+NH4"	18.033823
"1688306"	75.091623	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+NH4"	18.033823
"338769"	66.5783495	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+H+NH4"	19.041099
"731189"	95.1072495	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+H+NH4"	19.041099
"1487198"	38.0494495	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H+NH4"	19.041099
"399682"	137.104818	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+Na"	22.989218
"762498"	194.162618	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+Na"	22.989218
"1609502"	80.047018	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Na"	22.989218
"321725"	69.056047	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+H+Na"	23.996494
"711959"	97.584947	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+H+Na"	23.996494
"1470153"	40.527147	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H+Na"	23.996494
"1062309"	27.3538566666667	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2H+Na"	25.00377
"1263986"	90.091286	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+CH3OH+H"	33.033486
"382562"	153.078758	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+K"	38.963158
"740272"	210.136558	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+K"	38.963158
"1546708"	96.020958	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+K"	38.963158
"308259"	77.043017	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+H+K"	39.970434
"697396"	105.571917	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+H+K"	39.970434
"1457794"	48.514117	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H+K"	39.970434
"248216"	156.149426	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+ACN+H"	42.033826
"1219105"	99.091626	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+ACN+H"	42.033826
"1205174"	50.049451	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+ACN+2H"	43.041102
"198043"	159.08676	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+2Na-H"	44.97116
"642342"	216.14456	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+2Na-H"	44.97116
"1138919"	102.02896	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2Na-H"	44.97116
"177836"	80.047018	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+2Na"	45.978436
"625052"	108.575918	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+2Na"	45.978436
"1124183"	51.518118	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2Na"	45.978436
"1407714"	34.6811706666667	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H+2Na"	46.985712
"1440921"	104.070546	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H+HCOOH"	47.012746
"231708"	85.08004	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+3H2O+2H"	56.04448
"1517584"	118.12259	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+IsoProp+H"	61.06479
"415085"	88.033988	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+Na+K"	61.952376
"779360"	116.562888	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+Na+K"	61.952376
"1671317"	59.505088	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Na+K"	61.952376
"254560"	178.131368	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+ACN+Na"	64.015768
"1227267"	121.073568	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+ACN+Na"	64.015768
"1717244"	121.097093	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+NH4+HCOOH"	64.039293
"1179071"	42.0084846666667	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+3Na"	68.967654
"1651522"	126.052488	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Na+HCOOH"	68.994688
"158379"	191.03464	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+2K-H"	76.91904
"603292"	248.09244	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+2K-H"	76.91904
"1087438"	133.97684	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2K-H"	76.91904
"145346"	96.020958	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"2M+2K"	77.926316
"586371"	124.549858	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"3M+2K"	77.926316
"1071247"	67.492058	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2K"	77.926316
"1102996"	135.991392	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2K+H"	78.933592
"1340478"	136.079007	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+DMSO+H"	79.021207
"1007912"	140.118176	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2ACN+H"	83.060376
"1526763"	141.111808	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+IsoProp+Na+H"	84.054008
"999050"	70.562726	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+2ACN+2H"	84.067652
"1596843"	142.026428	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+K+HCOOH"	84.968628
"1424685"	172.057938	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+H+CF3COOH"	115.000138
"1160440"	91.076001	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+3ACN+2H"	125.094202
"1712179"	189.084485	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+NH4+CF3COOH"	132.026685
"1646735"	194.03988	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+Na+CF3COOH"	136.98208
"1578012"	210.01382	"C14150"	"Cyclopropylamine"	"C3H7N"	"57.0578"	"M+K+CF3COOH"	152.95602
"805099"	402.3498	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M"	0
"974620"	383.33141	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"66145"	267.225924	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"510810"	401.342524	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"894811"	133.109324	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"10475"	401.342524	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"452948"	602.517424	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"828562"	200.167624	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"84542"	803.692324	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"528479"	1206.042124	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"902998"	401.342524	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"51176"	820.718871	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"488911"	1223.068671	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"869268"	418.369071	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"34984"	825.674266	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"472357"	1228.024066	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"854535"	423.324466	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1625161"	423.324466	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"99502"	419.330863	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"544538"	620.505763	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"935869"	218.155963	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"269322"	839.669002	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"664661"	1242.018802	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1277064"	437.319202	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"18159"	841.648206	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"460274"	1243.998006	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"847557"	439.298406	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1564847"	439.298406	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"949453"	447.347994	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"372042"	849.697801	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"353740"	863.713451	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1499291"	461.363651	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"970848"	469.329951	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"124129"	437.319202	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"561868"	638.494102	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1030668"	236.144302	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1255714"	481.268685	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1318163"	483.324672	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1331283"	505.306629	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"922341"	515.335386	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1296864"	551.312064	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1376118"	367.337124	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1389240"	385.3471	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"283823"	805.706876	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"679161"	1208.056676	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1357697"	403.357076	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"130587"	403.357076	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"576713"	604.531976	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1044418"	202.182176	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"212320"	269.240476	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"647142"	403.357076	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1164901"	135.123876	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"428903"	822.733423	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"793179"	1225.083223	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1688416"	420.383623	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"335602"	411.8703495	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"731301"	613.0452495	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1484029"	210.6954495	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"404896"	827.688818	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"760422"	1230.038618	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1610707"	425.339018	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"325115"	414.348047	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"718631"	615.522947	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1469171"	213.173147	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1056221"	142.45119	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1264095"	435.383286	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"380848"	843.662758	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"740019"	1246.012558	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1545725"	441.312958	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"305090"	422.335017	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"695319"	623.509917	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1456810"	221.160117	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"246505"	846.733426	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1220308"	444.383626	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1205648"	222.695451	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"200340"	849.67076	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"639900"	1252.02056	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1138300"	447.32096	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"178674"	425.339018	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"621882"	626.513918	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1120645"	224.164118	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1408914"	149.778504	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1442123"	449.362546	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"229631"	430.37204	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1515507"	463.41459	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"417382"	433.325988	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"776190"	634.500888	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1669240"	232.151088	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"256856"	868.715368	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1227741"	466.365568	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1716261"	466.389093	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1179182"	157.105818	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1651996"	471.344488	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"158002"	881.61864	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"600486"	1283.96844	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1086454"	479.26884	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"144362"	441.312958	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"583565"	642.487858	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1070623"	240.138058	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1103835"	481.283392	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1337297"	481.371007	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1008020"	485.410176	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1526144"	486.403808	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"999160"	243.208726	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1599139"	487.318428	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1426982"	517.349938	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1160550"	263.722001	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1712289"	534.376485	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1646845"	539.33188	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1578122"	555.30582	"C14151"	"delta-Tocopherol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"805209"	416.3654	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M"	0
"975461"	397.34701	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-H2O-H"	-19.01839
"68078"	276.569657333333	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M-3H"	-3.021828
"510920"	415.358124	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M-3H"	-3.021828
"894191"	137.781190666667	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-3H"	-3.021828
"10584"	415.358124	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H"	-2.014552
"451235"	623.540824	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H"	-2.014552
"827941"	207.175424	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H"	-2.014552
"84652"	831.723524	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M-H"	-1.007276
"527497"	1248.088924	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M-H"	-1.007276
"903108"	415.358124	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-H"	-1.007276
"52016"	848.750071	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H+NH4"	16.019271
"488658"	1265.115471	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H+NH4"	16.019271
"870472"	432.384671	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H+NH4"	16.019271
"34001"	853.705466	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H+Na"	20.974666
"472467"	1270.070866	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H+Na"	20.974666
"854645"	437.340066	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H+Na"	20.974666
"1627458"	437.340066	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na-2H"	20.974666
"100706"	433.346463	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M-H+Cl"	33.962126
"542462"	641.529163	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M-H+Cl"	33.962126
"937073"	225.163763	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+Cl"	33.962126
"271256"	867.700202	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Cl"	34.969402
"665865"	1284.065602	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+Cl"	34.969402
"1277538"	451.334802	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl"	34.969402
"19727"	869.679406	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M-2H+K"	36.948606
"461478"	1286.044806	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M-2H+K"	36.948606
"843657"	453.314006	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-2H+K"	36.948606
"1566051"	453.314006	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+K-2H"	36.948606
"949563"	461.363594	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+HCOOH"	44.998194
"369965"	877.729001	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+HCOOH-H"	44.998201
"351663"	891.744651	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Hac-H"	59.013851
"1498308"	475.379251	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Hac-H"	59.013851
"971323"	483.345551	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+NaCOOH"	66.980151
"123509"	451.334802	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2Cl"	69.938804
"561978"	659.517502	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2Cl"	69.938804
"1028591"	243.152102	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2Cl"	69.938804
"1255822"	495.284285	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Br"	78.918885
"1318636"	497.340272	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl+HCOOH"	80.974872
"1329208"	519.322229	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl+NaCOOH"	102.956829
"921360"	529.350986	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M-H+CF3COOH"	112.985586
"1293695"	565.327664	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Cl+CF3COOH"	148.962264
"1374043"	381.352724	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H-2H2O"	-35.012676
"1386070"	399.3627	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H-H2O"	-17.0027
"284662"	833.738076	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H"	1.007276
"678178"	1250.103476	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H"	1.007276
"1357807"	417.372676	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H"	1.007276
"131790"	417.372676	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2H"	2.014552
"576823"	625.555376	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2H"	2.014552
"1046715"	209.189976	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2H"	2.014552
"211337"	278.584209333333	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+3H"	3.021828
"647617"	417.372676	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+3H"	3.021828
"1165742"	139.795742666667	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+3H"	3.021828
"427921"	850.764623	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+NH4"	18.033823
"791101"	1267.130023	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+NH4"	18.033823
"1687433"	434.399223	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+NH4"	18.033823
"336806"	425.8859495	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H+NH4"	19.041099
"730320"	634.0686495	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H+NH4"	19.041099
"1485233"	217.7032495	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+NH4"	19.041099
"403913"	855.720018	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Na"	22.989218
"761625"	1272.085418	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+Na"	22.989218
"1615191"	439.354618	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na"	22.989218
"325225"	428.363647	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H+Na"	23.996494
"719834"	636.546347	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H+Na"	23.996494
"1469281"	220.180947	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+Na"	23.996494
"1057789"	147.123056666667	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2H+Na"	25.00377
"1264205"	449.398886	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+CH3OH+H"	33.033486
"378043"	871.693958	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+K"	38.963158
"741585"	1288.059358	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+K"	38.963158
"1543650"	455.328558	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+K"	38.963158
"301920"	436.350617	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+H+K"	39.970434
"694336"	644.533317	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+H+K"	39.970434
"1455826"	228.167917	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+K"	39.970434
"246612"	874.764626	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+ACN+H"	42.033826
"1220054"	458.399226	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+ACN+H"	42.033826
"1204300"	229.703251	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+ACN+2H"	43.041102
"199357"	877.70196	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2Na-H"	44.97116
"636731"	1294.06736	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2Na-H"	44.97116
"1135858"	461.33656	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2Na-H"	44.97116
"176962"	439.354618	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2Na"	45.978436
"617983"	647.537318	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2Na"	45.978436
"1117111"	231.171918	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2Na"	45.978436
"1409024"	154.450370666667	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+2Na"	46.985712
"1441140"	463.378146	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+HCOOH"	47.012746
"228648"	444.38764	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+3H2O+2H"	56.04448
"1515617"	477.43019	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+IsoProp+H"	61.06479
"417492"	447.341588	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+Na+K"	61.952376
"776300"	655.524288	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+Na+K"	61.952376
"1672631"	239.158888	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na+K"	61.952376
"258060"	896.746568	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+ACN+Na"	64.015768
"1230767"	480.381168	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+ACN+Na"	64.015768
"1717465"	480.404693	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+NH4+HCOOH"	64.039293
"1178603"	161.777684666667	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+3Na"	68.967654
"1651985"	485.360088	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na+HCOOH"	68.994688
"157506"	909.64984	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2K-H"	76.91904
"600232"	1326.01524	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2K-H"	76.91904
"1086565"	493.28444	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2K-H"	76.91904
"143744"	455.328558	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"2M+2K"	77.926316
"586591"	663.511258	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"3M+2K"	77.926316
"1070735"	247.145858	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2K"	77.926316
"1103217"	495.298992	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2K+H"	78.933592
"1339598"	495.386607	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+DMSO+H"	79.021207
"1008254"	499.425776	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2ACN+H"	83.060376
"1528443"	500.419408	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+IsoProp+Na+H"	84.054008
"1000364"	250.216526	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+2ACN+2H"	84.067652
"1599248"	501.334028	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+K+HCOOH"	84.968628
"1424905"	531.365538	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+H+CF3COOH"	115.000138
"1160661"	270.729801	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+3ACN+2H"	125.094202
"1712399"	548.392085	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+NH4+CF3COOH"	132.026685
"1649630"	553.34748	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+Na+CF3COOH"	136.98208
"1578232"	569.32142	"C14152"	"beta-Tocopherol"	"C28H48O2"	"416.3654"	"M+K+CF3COOH"	152.95602
"815160"	424.3341	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M"	0
"982132"	405.31571	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-H2O-H"	-19.01839
"72563"	281.882124	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M-3H"	-3.021828
"506654"	423.326824	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M-3H"	-3.021828
"894183"	140.437424	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-3H"	-3.021828
"12879"	423.326824	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M-2H"	-2.014552
"452438"	635.493874	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M-2H"	-2.014552
"828051"	211.159774	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-2H"	-2.014552
"85857"	847.660924	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M-H"	-1.007276
"527604"	1271.995024	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M-H"	-1.007276
"899938"	423.326824	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-H"	-1.007276
"51032"	864.687471	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M-2H+NH4"	16.019271
"489621"	1289.021571	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M-2H+NH4"	16.019271
"868395"	440.353371	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-2H+NH4"	16.019271
"38486"	869.642866	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M-2H+Na"	20.974666
"471967"	1293.976966	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M-2H+Na"	20.974666
"860225"	445.308766	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-2H+Na"	20.974666
"1624288"	445.308766	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Na-2H"	20.974666
"104096"	441.315163	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M-H+Cl"	33.962126
"544759"	653.482213	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M-H+Cl"	33.962126
"939372"	229.148113	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-H+Cl"	33.962126
"277930"	883.637602	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+Cl"	34.969402
"668164"	1307.971702	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+Cl"	34.969402
"1281660"	459.303502	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Cl"	34.969402
"23121"	885.616806	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M-2H+K"	36.948606
"462682"	1309.950906	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M-2H+K"	36.948606
"843769"	461.282706	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-2H+K"	36.948606
"1566163"	461.282706	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+K-2H"	36.948606
"954048"	469.332294	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-H+HCOOH"	44.998194
"373357"	893.666401	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+HCOOH-H"	44.998201
"358336"	907.682051	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+Hac-H"	59.013851
"1504980"	483.347951	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Hac-H"	59.013851
"973500"	491.314251	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-H+NaCOOH"	66.980151
"124351"	459.303502	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+2Cl"	69.938804
"565370"	671.470552	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+2Cl"	69.938804
"1031983"	247.136452	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2Cl"	69.938804
"1256666"	503.252985	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Br"	78.918885
"1318384"	505.308972	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Cl+HCOOH"	80.974872
"1330414"	527.290929	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Cl+NaCOOH"	102.956829
"924388"	537.319686	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M-H+CF3COOH"	112.985586
"1300367"	573.296364	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Cl+CF3COOH"	148.962264
"1376340"	389.321424	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H-2H2O"	-35.012676
"1389461"	407.3314	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H-H2O"	-17.0027
"286960"	849.675476	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+H"	1.007276
"680476"	1274.009576	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+H"	1.007276
"1356824"	425.341376	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H"	1.007276
"131901"	425.341376	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+2H"	2.014552
"578027"	637.508426	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+2H"	2.014552
"1051690"	213.174326	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2H"	2.014552
"218011"	283.896676	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+3H"	3.021828
"648821"	425.341376	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+3H"	3.021828
"1169134"	142.451976	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+3H"	3.021828
"429125"	866.702023	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+NH4"	18.033823
"796681"	1291.036123	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+NH4"	18.033823
"1691917"	442.367923	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+NH4"	18.033823
"339103"	433.8546495	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+H+NH4"	19.041099
"733710"	646.0216995	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+H+NH4"	19.041099
"1489718"	221.6875995	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H+NH4"	19.041099
"406210"	871.657418	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+Na"	22.989218
"767204"	1295.991518	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+Na"	22.989218
"1617614"	447.323318	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Na"	22.989218
"328617"	436.332347	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+H+Na"	23.996494
"721891"	648.499397	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+H+Na"	23.996494
"1472671"	224.165297	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H+Na"	23.996494
"1060453"	149.77929	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2H+Na"	25.00377
"1267596"	457.367586	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+CH3OH+H"	33.033486
"379611"	887.631358	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+K"	38.963158
"741698"	1311.965458	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+K"	38.963158
"1544855"	463.297258	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+K"	38.963158
"305312"	444.319317	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+H+K"	39.970434
"701014"	656.486367	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+H+K"	39.970434
"1455929"	232.152267	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H+K"	39.970434
"246725"	890.702026	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+ACN+H"	42.033826
"1222350"	466.367926	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+ACN+H"	42.033826
"1204411"	233.687601	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+ACN+2H"	43.041102
"199468"	893.63936	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+2Na-H"	44.97116
"641216"	1317.97346	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+2Na-H"	44.97116
"1142533"	469.30526	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2Na-H"	44.97116
"182542"	447.323318	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+2Na"	45.978436
"619916"	659.490368	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+2Na"	45.978436
"1120866"	235.156268	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2Na"	45.978436
"1411321"	157.106604	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H+2Na"	46.985712
"1445021"	471.346846	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H+HCOOH"	47.012746
"233132"	452.35634	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+3H2O+2H"	56.04448
"1523381"	485.39889	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+IsoProp+H"	61.06479
"422707"	455.310288	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+Na+K"	61.952376
"781881"	667.477338	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+Na+K"	61.952376
"1680761"	243.143238	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Na+K"	61.952376
"262543"	912.683968	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+ACN+Na"	64.015768
"1233064"	488.349868	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+ACN+Na"	64.015768
"1726323"	488.373393	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+NH4+HCOOH"	64.039293
"1182930"	164.433918	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+3Na"	68.967654
"1655013"	493.328788	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Na+HCOOH"	68.994688
"161143"	925.58724	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+2K-H"	76.91904
"603622"	1349.92134	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+2K-H"	76.91904
"1093602"	501.25314	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2K-H"	76.91904
"146408"	463.297258	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"2M+2K"	77.926316
"589981"	675.464308	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"3M+2K"	77.926316
"1071212"	251.130208	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2K"	77.926316
"1101866"	503.267692	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2K+H"	78.933592
"1339707"	503.355307	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+DMSO+H"	79.021207
"1007271"	507.394476	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2ACN+H"	83.060376
"1527460"	508.388108	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+IsoProp+Na+H"	84.054008
"1001568"	254.200876	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+2ACN+2H"	84.067652
"1597171"	509.302728	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+K+HCOOH"	84.968628
"1425015"	539.334238	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+H+CF3COOH"	115.000138
"1159677"	274.714151	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+3ACN+2H"	125.094202
"1711050"	556.360785	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+NH4+CF3COOH"	132.026685
"1649252"	561.31618	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+Na+CF3COOH"	136.98208
"1576155"	577.29012	"C14153"	"alpha-Tocotrienol"	"C29H44O2"	"424.3341"	"M+K+CF3COOH"	152.95602
"807615"	410.3185	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M"	0
"975680"	391.30011	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H2O-H"	-19.01839
"69391"	272.538390666667	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-3H"	-3.021828
"505668"	409.311224	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-3H"	-3.021828
"895556"	135.765557333333	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-3H"	-3.021828
"12986"	409.311224	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H"	-2.014552
"453640"	614.470474	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H"	-2.014552
"825974"	204.151974	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H"	-2.014552
"88153"	819.629724	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-H"	-1.007276
"526620"	1229.948224	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-H"	-1.007276
"901141"	409.311224	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H"	-1.007276
"49198"	836.656271	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H+NH4"	16.019271
"492890"	1246.974771	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H+NH4"	16.019271
"867412"	426.337771	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H+NH4"	16.019271
"39689"	841.611666	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H+Na"	20.974666
"471954"	1251.930166	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H+Na"	20.974666
"862520"	431.293166	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H+Na"	20.974666
"1624398"	431.293166	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na-2H"	20.974666
"104206"	427.299563	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-H+Cl"	33.962126
"545962"	632.458813	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-H+Cl"	33.962126
"938388"	222.140313	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+Cl"	33.962126
"274760"	855.606402	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Cl"	34.969402
"671555"	1265.924902	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+Cl"	34.969402
"1282863"	445.287902	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl"	34.969402
"24324"	857.585606	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H+K"	36.948606
"463885"	1267.904106	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H+K"	36.948606
"840599"	447.267106	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H+K"	36.948606
"1561899"	447.267106	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K-2H"	36.948606
"943262"	455.316694	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+HCOOH"	44.998194
"370187"	865.635201	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+HCOOH-H"	44.998201
"357352"	879.650851	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Hac-H"	59.013851
"1505089"	469.332351	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Hac-H"	59.013851
"971547"	477.298651	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+NaCOOH"	66.980151
"123004"	445.287902	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2Cl"	69.938804
"563658"	650.447152	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2Cl"	69.938804
"1033186"	240.128652	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2Cl"	69.938804
"1255317"	489.237385	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Br"	78.918885
"1317767"	491.293372	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl+HCOOH"	80.974872
"1333804"	513.275329	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl+NaCOOH"	102.956829
"923767"	523.304086	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+CF3COOH"	112.985586
"1300478"	559.280764	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl+CF3COOH"	148.962264
"1378639"	375.305824	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H-2H2O"	-35.012676
"1396131"	393.3158	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H-H2O"	-17.0027
"290350"	821.644276	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H"	1.007276
"681679"	1231.962776	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H"	1.007276
"1360214"	411.325776	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H"	1.007276
"135291"	411.325776	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2H"	2.014552
"579962"	616.485026	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2H"	2.014552
"1050586"	206.166526	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2H"	2.014552
"216298"	274.552942666667	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+3H"	3.021828
"656587"	411.325776	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+3H"	3.021828
"1171431"	137.780109333333	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+3H"	3.021828
"431422"	838.670823	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+NH4"	18.033823
"798614"	1248.989323	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+NH4"	18.033823
"1692027"	428.352323	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+NH4"	18.033823
"342858"	419.8390495	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H+NH4"	19.041099
"735643"	624.9982995	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H+NH4"	19.041099
"1491651"	214.6797995	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+NH4"	19.041099
"404133"	843.626218	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Na"	22.989218
"766221"	1253.944718	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+Na"	22.989218
"1618248"	433.307718	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na"	22.989218
"327634"	422.316747	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H+Na"	23.996494
"721149"	627.475997	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H+Na"	23.996494
"1472781"	217.157497	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+Na"	23.996494
"1059468"	145.107423333333	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2H+Na"	25.00377
"1266613"	443.351986	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+CH3OH+H"	33.033486
"384092"	859.600158	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+K"	38.963158
"741808"	1269.918658	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+K"	38.963158
"1544963"	449.281658	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K"	38.963158
"301046"	430.303717	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H+K"	39.970434
"696748"	635.462967	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H+K"	39.970434
"1456039"	225.144467	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+K"	39.970434
"247928"	862.670826	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+ACN+H"	42.033826
"1221731"	452.352326	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+ACN+H"	42.033826
"1205613"	226.679801	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+ACN+2H"	43.041102
"199578"	865.60816	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2Na-H"	44.97116
"635857"	1275.92666	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2Na-H"	44.97116
"1136442"	455.28966	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2Na-H"	44.97116
"178642"	433.307718	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2Na"	45.978436
"620026"	638.466968	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2Na"	45.978436
"1119517"	228.148468	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2Na"	45.978436
"1411431"	152.434737333333	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+2Na"	46.985712
"1440266"	457.331246	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+HCOOH"	47.012746
"233242"	438.34074	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+3H2O+2H"	56.04448
"1520211"	471.38329	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+IsoProp+H"	61.06479
"420995"	441.294688	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Na+K"	61.952376
"784176"	646.453938	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+Na+K"	61.952376
"1679778"	236.135438	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na+K"	61.952376
"263746"	884.652768	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+ACN+Na"	64.015768
"1230987"	474.334268	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+ACN+Na"	64.015768
"1724246"	474.357793	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+NH4+HCOOH"	64.039293
"1181947"	159.762051333333	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+3Na"	68.967654
"1653299"	479.313188	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na+HCOOH"	68.994688
"159064"	897.55604	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2K-H"	76.91904
"602273"	1307.87454	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2K-H"	76.91904
"1087513"	487.23754	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2K-H"	76.91904
"143597"	449.281658	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2K"	77.926316
"590091"	654.440908	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2K"	77.926316
"1072415"	244.122408	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2K"	77.926316
"1100882"	489.252092	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2K+H"	78.933592
"1336538"	489.339707	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+DMSO+H"	79.021207
"1009446"	493.378876	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2ACN+H"	83.060376
"1528663"	494.372508	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+IsoProp+Na+H"	84.054008
"1001678"	247.193076	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2ACN+2H"	84.067652
"1598374"	495.287128	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K+HCOOH"	84.968628
"1424032"	525.318638	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+CF3COOH"	115.000138
"1158694"	267.706351	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+3ACN+2H"	125.094202
"1708244"	542.345185	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+NH4+CF3COOH"	132.026685
"1649241"	547.30058	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na+CF3COOH"	136.98208
"1576265"	563.27452	"C14154"	"beta-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K+CF3COOH"	152.95602
"805539"	410.3185	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M"	0
"974397"	391.30011	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H2O-H"	-19.01839
"68408"	272.538390666667	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-3H"	-3.021828
"503956"	409.311224	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-3H"	-3.021828
"895539"	135.765557333333	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-3H"	-3.021828
"9816"	409.311224	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H"	-2.014552
"448281"	614.470474	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H"	-2.014552
"817332"	204.151974	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H"	-2.014552
"79138"	819.629724	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-H"	-1.007276
"526730"	1229.948224	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-H"	-1.007276
"901251"	409.311224	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H"	-1.007276
"52346"	836.656271	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H+NH4"	16.019271
"493000"	1246.974771	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H+NH4"	16.019271
"864968"	426.337771	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H+NH4"	16.019271
"39799"	841.611666	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H+Na"	20.974666
"471393"	1251.930166	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H+Na"	20.974666
"862630"	431.293166	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H+Na"	20.974666
"1624508"	431.293166	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na-2H"	20.974666
"98848"	427.299563	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-H+Cl"	33.962126
"546070"	632.458813	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-H+Cl"	33.962126
"938497"	222.140313	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+Cl"	33.962126
"277057"	855.606402	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Cl"	34.969402
"665104"	1265.924902	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+Cl"	34.969402
"1280786"	445.287902	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl"	34.969402
"20424"	857.585606	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M-2H+K"	36.948606
"459621"	1267.904106	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M-2H+K"	36.948606
"843987"	447.267106	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-2H+K"	36.948606
"1562009"	447.267106	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K-2H"	36.948606
"943696"	455.316694	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+HCOOH"	44.998194
"370297"	865.635201	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+HCOOH-H"	44.998201
"359648"	879.650851	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Hac-H"	59.013851
"1505199"	469.332351	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Hac-H"	59.013851
"967273"	477.298651	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+NaCOOH"	66.980151
"121650"	445.287902	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2Cl"	69.938804
"559022"	650.447152	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2Cl"	69.938804
"1033289"	240.128652	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2Cl"	69.938804
"1251777"	489.237385	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Br"	78.918885
"1319418"	491.293372	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl+HCOOH"	80.974872
"1333915"	513.275329	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl+NaCOOH"	102.956829
"926067"	523.304086	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M-H+CF3COOH"	112.985586
"1300588"	559.280764	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Cl+CF3COOH"	148.962264
"1379843"	375.305824	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H-2H2O"	-35.012676
"1395150"	393.3158	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H-H2O"	-17.0027
"297267"	821.644276	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H"	1.007276
"690052"	1231.962776	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H"	1.007276
"1364702"	411.325776	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H"	1.007276
"137589"	411.325776	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2H"	2.014552
"580679"	616.485026	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2H"	2.014552
"1052683"	206.166526	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2H"	2.014552
"219980"	274.552942666667	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+3H"	3.021828
"657063"	411.325776	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+3H"	3.021828
"1173728"	137.780109333333	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+3H"	3.021828
"437366"	838.670823	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+NH4"	18.033823
"797996"	1248.989323	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+NH4"	18.033823
"1692866"	428.352323	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+NH4"	18.033823
"343334"	419.8390495	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H+NH4"	19.041099
"735389"	624.9982995	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H+NH4"	19.041099
"1489938"	214.6797995	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+NH4"	19.041099
"403150"	843.626218	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Na"	22.989218
"766331"	1253.944718	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+Na"	22.989218
"1614428"	433.307718	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na"	22.989218
"327744"	422.316747	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H+Na"	23.996494
"719072"	627.475997	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H+Na"	23.996494
"1472890"	217.157497	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+Na"	23.996494
"1060672"	145.107423333333	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2H+Na"	25.00377
"1265630"	443.351986	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+CH3OH+H"	33.033486
"384204"	859.600158	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+K"	38.963158
"744104"	1269.918658	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+K"	38.963158
"1542155"	449.281658	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K"	38.963158
"302249"	430.303717	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+H+K"	39.970434
"694670"	635.462967	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+H+K"	39.970434
"1447398"	225.144467	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+K"	39.970434
"248038"	862.670826	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+ACN+H"	42.033826
"1221841"	452.352326	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+ACN+H"	42.033826
"1205723"	226.679801	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+ACN+2H"	43.041102
"199688"	865.60816	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2Na-H"	44.97116
"633781"	1275.92666	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2Na-H"	44.97116
"1134365"	455.28966	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2Na-H"	44.97116
"180209"	433.307718	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2Na"	45.978436
"619043"	638.466968	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2Na"	45.978436
"1120356"	228.148468	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2Na"	45.978436
"1402064"	152.434737333333	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+2Na"	46.985712
"1440376"	457.331246	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+HCOOH"	47.012746
"232258"	438.34074	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+3H2O+2H"	56.04448
"1521050"	471.38329	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+IsoProp+H"	61.06479
"423291"	441.294688	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+Na+K"	61.952376
"783192"	646.453938	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+Na+K"	61.952376
"1676243"	236.135438	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na+K"	61.952376
"260576"	884.652768	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+ACN+Na"	64.015768
"1230368"	474.334268	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+ACN+Na"	64.015768
"1724356"	474.357793	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+NH4+HCOOH"	64.039293
"1179869"	159.762051333333	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+3Na"	68.967654
"1652680"	479.313188	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na+HCOOH"	68.994688
"158444"	897.55604	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2K-H"	76.91904
"602747"	1307.87454	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2K-H"	76.91904
"1087259"	487.23754	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2K-H"	76.91904
"142733"	449.281658	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"2M+2K"	77.926316
"590201"	654.440908	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"3M+2K"	77.926316
"1071432"	244.122408	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2K"	77.926316
"1101113"	489.252092	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2K+H"	78.933592
"1338835"	489.339707	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+DMSO+H"	79.021207
"1009556"	493.378876	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2ACN+H"	83.060376
"1528773"	494.372508	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+IsoProp+Na+H"	84.054008
"1000695"	247.193076	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+2ACN+2H"	84.067652
"1599577"	495.287128	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K+HCOOH"	84.968628
"1423048"	525.318638	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+H+CF3COOH"	115.000138
"1159897"	267.706351	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+3ACN+2H"	125.094202
"1708354"	542.345185	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+NH4+CF3COOH"	132.026685
"1649230"	547.30058	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+Na+CF3COOH"	136.98208
"1576375"	563.27452	"C14155"	"gamma-Tocotrienol"	"C28H42O2"	"410.3185"	"M+K+CF3COOH"	152.95602
"805649"	396.3028	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M"	0
"974478"	377.28441	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-H2O-H"	-19.01839
"68518"	263.194590666667	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M-3H"	-3.021828
"503090"	395.295524	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M-3H"	-3.021828
"893538"	131.093657333333	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-3H"	-3.021828
"9925"	395.295524	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M-2H"	-2.014552
"448391"	593.446924	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M-2H"	-2.014552
"817564"	197.144124	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-2H"	-2.014552
"78636"	791.598324	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M-H"	-1.007276
"518731"	1187.901124	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M-H"	-1.007276
"901361"	395.295524	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-H"	-1.007276
"48323"	808.624871	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M-2H+NH4"	16.019271
"487596"	1204.927671	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M-2H+NH4"	16.019271
"865079"	412.322071	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-2H+NH4"	16.019271
"32738"	813.580266	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M-2H+Na"	20.974666
"471456"	1209.883066	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M-2H+Na"	20.974666
"855085"	417.277466	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-2H+Na"	20.974666
"1625711"	417.277466	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Na-2H"	20.974666
"94825"	413.283863	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M-H+Cl"	33.962126
"546180"	611.435263	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M-H+Cl"	33.962126
"937515"	215.132463	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-H+Cl"	33.962126
"274981"	827.575002	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+Cl"	34.969402
"666308"	1223.877802	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+Cl"	34.969402
"1280897"	431.272202	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Cl"	34.969402
"24545"	829.554206	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M-2H+K"	36.948606
"464106"	1225.857006	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M-2H+K"	36.948606
"844097"	433.251406	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-2H+K"	36.948606
"1566493"	433.251406	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+K-2H"	36.948606
"945628"	441.300994	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-H+HCOOH"	44.998194
"370407"	837.603801	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+HCOOH-H"	44.998201
"359758"	851.619451	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+Hac-H"	59.013851
"1505309"	455.316651	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Hac-H"	59.013851
"967383"	463.282951	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-H+NaCOOH"	66.980151
"121760"	431.272202	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+2Cl"	69.938804
"559132"	629.423602	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+2Cl"	69.938804
"1033399"	233.120802	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2Cl"	69.938804
"1255167"	475.221685	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Br"	78.918885
"1316521"	477.277672	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Cl+HCOOH"	80.974872
"1334630"	499.259629	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Cl+NaCOOH"	102.956829
"926660"	509.288386	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M-H+CF3COOH"	112.985586
"1302878"	545.265064	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Cl+CF3COOH"	148.962264
"1380320"	361.290124	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H-2H2O"	-35.012676
"1394167"	379.3001	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H-H2O"	-17.0027
"297864"	793.612876	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+H"	1.007276
"689554"	1189.915676	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+H"	1.007276
"1364811"	397.310076	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H"	1.007276
"135513"	397.310076	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+2H"	2.014552
"579090"	595.461476	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+2H"	2.014552
"1051902"	199.158676	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2H"	2.014552
"219764"	265.209142666667	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+3H"	3.021828
"656445"	397.310076	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+3H"	3.021828
"1175661"	133.108209333333	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+3H"	3.021828
"433829"	810.639423	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+NH4"	18.033823
"794823"	1206.942223	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+NH4"	18.033823
"1692247"	414.336623	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+NH4"	18.033823
"343930"	405.8233495	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+H+NH4"	19.041099
"736228"	603.9747495	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+H+NH4"	19.041099
"1490780"	207.6719495	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H+NH4"	19.041099
"408122"	815.594818	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+Na"	22.989218
"765350"	1211.897618	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+Na"	22.989218
"1616243"	419.292018	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Na"	22.989218
"327129"	408.301047	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+H+Na"	23.996494
"719185"	606.452447	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+H+Na"	23.996494
"1471909"	210.149647	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H+Na"	23.996494
"1062968"	140.435523333333	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2H+Na"	25.00377
"1266833"	429.336286	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+CH3OH+H"	33.033486
"385407"	831.568758	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+K"	38.963158
"747497"	1227.871558	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+K"	38.963158
"1541901"	435.265958	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+K"	38.963158
"301266"	416.288017	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+H+K"	39.970434
"692593"	614.439417	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+H+K"	39.970434
"1447508"	218.136617	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H+K"	39.970434
"248148"	834.639426	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+ACN+H"	42.033826
"1221951"	438.336626	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+ACN+H"	42.033826
"1203644"	219.671951	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+ACN+2H"	43.041102
"196515"	837.57676	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+2Na-H"	44.97116
"634984"	1233.87956	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+2Na-H"	44.97116
"1134475"	441.27396	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2Na-H"	44.97116
"180684"	419.292018	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+2Na"	45.978436
"620246"	617.443418	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+2Na"	45.978436
"1122290"	221.140618	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2Na"	45.978436
"1401810"	147.762837333333	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H+2Na"	46.985712
"1440486"	443.315546	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H+HCOOH"	47.012746
"231274"	424.32504	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+3H2O+2H"	56.04448
"1520432"	457.36759	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+IsoProp+H"	61.06479
"422673"	427.278988	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+Na+K"	61.952376
"783302"	625.430388	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+Na+K"	61.952376
"1676354"	229.127588	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Na+K"	61.952376
"261780"	856.621368	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+ACN+Na"	64.015768
"1230114"	460.318568	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+ACN+Na"	64.015768
"1724466"	460.342093	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+NH4+HCOOH"	64.039293
"1180101"	155.090151333333	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+3Na"	68.967654
"1652426"	465.297488	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Na+HCOOH"	68.994688
"157622"	869.52464	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+2K-H"	76.91904
"602129"	1265.82744	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+2K-H"	76.91904
"1085911"	473.22184	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2K-H"	76.91904
"141998"	435.265958	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"2M+2K"	77.926316
"583747"	633.417358	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"3M+2K"	77.926316
"1069715"	237.114558	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2K"	77.926316
"1101466"	475.236392	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2K+H"	78.933592
"1338945"	475.324007	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+DMSO+H"	79.021207
"1008573"	479.363176	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2ACN+H"	83.060376
"1527790"	480.356808	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+IsoProp+Na+H"	84.054008
"998618"	240.185226	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+2ACN+2H"	84.067652
"1599687"	481.271428	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+K+HCOOH"	84.968628
"1424252"	511.302938	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+H+CF3COOH"	115.000138
"1160007"	260.698501	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+3ACN+2H"	125.094202
"1709557"	528.329485	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+NH4+CF3COOH"	132.026685
"1649582"	533.28488	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+Na+CF3COOH"	136.98208
"1576485"	549.25882	"C14156"	"delta-Tocotrienol"	"C27H40O2"	"396.3028"	"M+K+CF3COOH"	152.95602
"805759"	430.3447	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M"	0
"974751"	411.32631	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-H2O-H"	-19.01839
"68628"	285.889190666667	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M-3H"	-3.021828
"503811"	429.337424	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M-3H"	-3.021828
"890367"	142.440957333333	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-3H"	-3.021828
"6755"	429.337424	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M-2H"	-2.014552
"448501"	644.509774	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M-2H"	-2.014552
"818037"	214.165074	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-2H"	-2.014552
"79156"	859.682124	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M-H"	-1.007276
"519533"	1290.026824	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M-H"	-1.007276
"897453"	429.337424	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-H"	-1.007276
"48306"	876.708671	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M-2H+NH4"	16.019271
"491023"	1307.053371	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M-2H+NH4"	16.019271
"865919"	446.363971	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-2H+NH4"	16.019271
"32728"	881.664066	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M-2H+Na"	20.974666
"471870"	1312.008766	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M-2H+Na"	20.974666
"850818"	451.319366	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-2H+Na"	20.974666
"1619257"	451.319366	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Na-2H"	20.974666
"94848"	447.325763	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M-H+Cl"	33.962126
"545194"	662.498113	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M-H+Cl"	33.962126
"939082"	232.153413	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-H+Cl"	33.962126
"273996"	895.658802	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+Cl"	34.969402
"667509"	1326.003502	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+Cl"	34.969402
"1282099"	465.314102	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Cl"	34.969402
"27935"	897.638006	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M-2H+K"	36.948606
"463123"	1327.982706	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M-2H+K"	36.948606
"838738"	467.293306	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-2H+K"	36.948606
"1566601"	467.293306	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+K-2H"	36.948606
"944645"	475.342894	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-H+HCOOH"	44.998194
"365049"	905.687601	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+HCOOH-H"	44.998201
"347108"	919.703251	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+Hac-H"	59.013851
"1492921"	489.358551	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Hac-H"	59.013851
"959466"	497.324851	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-H+NaCOOH"	66.980151
"118589"	465.314102	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+2Cl"	69.938804
"552680"	680.486452	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+2Cl"	69.938804
"1021599"	250.141752	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2Cl"	69.938804
"1255277"	509.263585	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Br"	78.918885
"1313351"	511.319572	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Cl+HCOOH"	80.974872
"1333037"	533.301529	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Cl+NaCOOH"	102.956829
"925916"	543.330286	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M-H+CF3COOH"	112.985586
"1299707"	579.306964	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Cl+CF3COOH"	148.962264
"1376776"	395.332024	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H-2H2O"	-35.012676
"1392085"	413.342	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H-H2O"	-17.0027
"298097"	861.696676	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+H"	1.007276
"690882"	1292.041376	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+H"	1.007276
"1363828"	431.351976	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H"	1.007276
"135623"	431.351976	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+2H"	2.014552
"579200"	646.524326	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+2H"	2.014552
"1051892"	216.179626	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2H"	2.014552
"219510"	287.903742666667	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+3H"	3.021828
"658623"	431.351976	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+3H"	3.021828
"1176134"	144.455509333333	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+3H"	3.021828
"435033"	878.723223	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+NH4"	18.033823
"796026"	1309.067923	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+NH4"	18.033823
"1691263"	448.378523	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+NH4"	18.033823
"342822"	439.8652495	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+H+NH4"	19.041099
"733058"	655.0375995	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+H+NH4"	19.041099
"1491376"	224.6928995	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H+NH4"	19.041099
"405923"	883.678618	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+Na"	22.989218
"766189"	1314.023318	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+Na"	22.989218
"1616232"	453.333918	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Na"	22.989218
"325780"	442.342947	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+H+Na"	23.996494
"719295"	657.515297	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+H+Na"	23.996494
"1474205"	227.170597	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H+Na"	23.996494
"1063077"	151.782823333333	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2H+Na"	25.00377
"1264756"	463.378186	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+CH3OH+H"	33.033486
"385517"	899.652558	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+K"	38.963158
"747605"	1329.997258	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+K"	38.963158
"1545290"	469.307858	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+K"	38.963158
"301376"	450.329917	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+H+K"	39.970434
"693797"	665.502267	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+H+K"	39.970434
"1445700"	235.157567	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H+K"	39.970434
"247165"	902.723226	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+ACN+H"	42.033826
"1222790"	472.378526	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+ACN+H"	42.033826
"1202661"	236.692901	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+ACN+2H"	43.041102
"194439"	905.66056	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+2Na-H"	44.97116
"634365"	1336.00526	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+2Na-H"	44.97116
"1135678"	475.31586	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2Na-H"	44.97116
"179701"	453.333918	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+2Na"	45.978436
"619263"	668.506268	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+2Na"	45.978436
"1123129"	238.161568	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2Na"	45.978436
"1402284"	159.110137333333	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H+2Na"	46.985712
"1440596"	477.357446	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H+HCOOH"	47.012746
"230291"	458.36694	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+3H2O+2H"	56.04448
"1520542"	491.40949	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+IsoProp+H"	61.06479
"420961"	461.320888	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+Na+K"	61.952376
"782320"	676.493238	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+Na+K"	61.952376
"1675371"	246.148538	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Na+K"	61.952376
"260798"	924.705168	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+ACN+Na"	64.015768
"1233504"	494.360468	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+ACN+Na"	64.015768
"1721296"	494.383993	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+NH4+HCOOH"	64.039293
"1179603"	166.437451333333	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+3Na"	68.967654
"1650714"	499.339388	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Na+HCOOH"	68.994688
"157935"	937.60844	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+2K-H"	76.91904
"601510"	1367.95314	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+2K-H"	76.91904
"1084396"	507.26374	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2K-H"	76.91904
"142229"	469.307858	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"2M+2K"	77.926316
"581791"	684.480208	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"3M+2K"	77.926316
"1069825"	254.135508	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2K"	77.926316
"1101576"	509.278292	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2K+H"	78.933592
"1336018"	509.365907	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+DMSO+H"	79.021207
"1006497"	513.405076	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2ACN+H"	83.060376
"1526807"	514.398708	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+IsoProp+Na+H"	84.054008
"995448"	257.206176	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+2ACN+2H"	84.067652
"1599797"	515.313328	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+K+HCOOH"	84.968628
"1424362"	545.344838	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+H+CF3COOH"	115.000138
"1160117"	277.719451	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+3ACN+2H"	125.094202
"1708574"	562.371385	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+NH4+CF3COOH"	132.026685
"1649450"	567.32678	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+Na+CF3COOH"	136.98208
"1576595"	583.30072	"C14157"	"Stylisterol A"	"C28H46O3"	"430.3447"	"M+K+CF3COOH"	152.95602
"805869"	446.3396	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M"	0
"975027"	427.32121	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-H2O-H"	-19.01839
"68738"	296.552457333333	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M-3H"	-3.021828
"503066"	445.332324	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M-3H"	-3.021828
"885010"	147.772590666667	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-3H"	-3.021828
"5771"	445.332324	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M-2H"	-2.014552
"443143"	668.502124	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M-2H"	-2.014552
"818024"	222.162524	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-2H"	-2.014552
"78865"	891.671924	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M-H"	-1.007276
"519517"	1338.011524	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M-H"	-1.007276
"897442"	445.332324	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-H"	-1.007276
"49386"	908.698471	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M-2H+NH4"	16.019271
"490764"	1355.038071	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M-2H+NH4"	16.019271
"867474"	462.358871	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-2H+NH4"	16.019271
"33566"	913.653866	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M-2H+Na"	20.974666
"472023"	1359.993466	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M-2H+Na"	20.974666
"850928"	467.314266	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-2H+Na"	20.974666
"1621552"	467.314266	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Na-2H"	20.974666
"95163"	463.320663	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M-H+Cl"	33.962126
"542023"	686.490463	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M-H+Cl"	33.962126
"941622"	240.150863	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-H+Cl"	33.962126
"278480"	927.648602	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+Cl"	34.969402
"672965"	1373.988202	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+Cl"	34.969402
"1287070"	481.309002	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Cl"	34.969402
"29989"	929.627806	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M-2H+K"	36.948606
"470401"	1375.967406	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M-2H+K"	36.948606
"843222"	483.288206	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-2H+K"	36.948606
"1565617"	483.288206	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+K-2H"	36.948606
"946941"	491.337794	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-H+HCOOH"	44.998194
"369531"	937.677401	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+HCOOH-H"	44.998201
"349040"	951.693051	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+Hac-H"	59.013851
"1493976"	505.353451	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Hac-H"	59.013851
"959331"	513.319751	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-H+NaCOOH"	66.980151
"110301"	481.309002	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+2Cl"	69.938804
"551696"	704.478802	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+2Cl"	69.938804
"1023775"	258.139202	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2Cl"	69.938804
"1256446"	525.258485	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Br"	78.918885
"1315647"	527.314472	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Cl+HCOOH"	80.974872
"1330960"	549.296429	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Cl+NaCOOH"	102.956829
"925298"	559.325186	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M-H+CF3COOH"	112.985586
"1302004"	595.301864	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Cl+CF3COOH"	148.962264
"1376886"	411.326924	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H-2H2O"	-35.012676
"1393288"	429.3369	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H-H2O"	-17.0027
"298212"	893.686476	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+H"	1.007276
"688681"	1340.026076	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+H"	1.007276
"1366612"	447.346876	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H"	1.007276
"141154"	447.346876	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+2H"	2.014552
"579668"	670.516676	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+2H"	2.014552
"1051152"	224.177076	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2H"	2.014552
"217835"	298.567009333333	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+3H"	3.021828
"657757"	447.346876	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+3H"	3.021828
"1172964"	149.787142666667	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+3H"	3.021828
"436235"	910.713023	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+NH4"	18.033823
"796136"	1357.052623	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+NH4"	18.033823
"1694651"	464.373423	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+NH4"	18.033823
"339651"	455.8601495	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+H+NH4"	19.041099
"733166"	679.0299495	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+H+NH4"	19.041099
"1484802"	232.6903495	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H+NH4"	19.041099
"400200"	915.668418	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+Na"	22.989218
"760103"	1362.008018	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+Na"	22.989218
"1607107"	469.328818	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Na"	22.989218
"323701"	458.337847	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+H+Na"	23.996494
"712842"	681.507647	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+H+Na"	23.996494
"1467755"	235.168047	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H+Na"	23.996494
"1060998"	157.114456666667	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2H+Na"	25.00377
"1267051"	479.373086	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+CH3OH+H"	33.033486
"381253"	931.642358	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+K"	38.963158
"743341"	1377.981958	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+K"	38.963158
"1547586"	485.302758	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+K"	38.963158
"301486"	466.324817	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+H+K"	39.970434
"696092"	689.494617	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+H+K"	39.970434
"1449911"	243.155017	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H+K"	39.970434
"246182"	934.713026	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+ACN+H"	42.033826
"1223263"	488.373426	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+ACN+H"	42.033826
"1203865"	244.690351	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+ACN+2H"	43.041102
"193456"	937.65036	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+2Na-H"	44.97116
"638484"	1383.98996	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+2Na-H"	44.97116
"1138706"	491.31076	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2Na-H"	44.97116
"179082"	469.328818	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+2Na"	45.978436
"617186"	692.498618	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+2Na"	45.978436
"1122876"	246.159018	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2Na"	45.978436
"1407497"	164.441770666667	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H+2Na"	46.985712
"1439613"	493.352346	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H+HCOOH"	47.012746
"229308"	474.36184	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+3H2O+2H"	56.04448
"1517371"	507.40439	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+IsoProp+H"	61.06479
"422527"	477.315788	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+Na+K"	61.952376
"780242"	700.485588	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+Na+K"	61.952376
"1674386"	254.145988	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Na+K"	61.952376
"257261"	956.694968	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+ACN+Na"	64.015768
"1228511"	510.355368	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+ACN+Na"	64.015768
"1720312"	510.378893	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+NH4+HCOOH"	64.039293
"1180564"	171.769084666667	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+3Na"	68.967654
"1650215"	515.334288	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Na+HCOOH"	68.994688
"157480"	969.59824	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+2K-H"	76.91904
"601620"	1415.93784	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+2K-H"	76.91904
"1084209"	523.25864	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2K-H"	76.91904
"143305"	485.302758	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"2M+2K"	77.926316
"581490"	708.472558	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"3M+2K"	77.926316
"1068720"	262.132958	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2K"	77.926316
"1100224"	525.273192	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2K+H"	78.933592
"1336248"	525.360807	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+DMSO+H"	79.021207
"1006965"	529.399976	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2ACN+H"	83.060376
"1526915"	530.393608	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+IsoProp+Na+H"	84.054008
"997744"	265.203626	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+2ACN+2H"	84.067652
"1601853"	531.308228	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+K+HCOOH"	84.968628
"1425565"	561.339738	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+H+CF3COOH"	115.000138
"1160227"	285.716901	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+3ACN+2H"	125.094202
"1709777"	578.366285	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+NH4+CF3COOH"	132.026685
"1649807"	583.32168	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+Na+CF3COOH"	136.98208
"1576705"	599.29562	"C14158"	"Stylisterol B"	"C28H46O4"	"446.3396"	"M+K+CF3COOH"	152.95602
"805979"	430.3447	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M"	0
"974529"	411.32631	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-H2O-H"	-19.01839
"66661"	285.889190666667	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M-3H"	-3.021828
"504028"	429.337424	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M-3H"	-3.021828
"882933"	142.440957333333	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-3H"	-3.021828
"2601"	429.337424	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M-2H"	-2.014552
"440458"	644.509774	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M-2H"	-2.014552
"819957"	214.165074	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-2H"	-2.014552
"80310"	859.682124	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M-H"	-1.007276
"520599"	1290.026824	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M-H"	-1.007276
"897794"	429.337424	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-H"	-1.007276
"49494"	876.708671	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M-2H+NH4"	16.019271
"489052"	1307.053371	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M-2H+NH4"	16.019271
"866489"	446.363971	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-2H+NH4"	16.019271
"31968"	881.664066	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M-2H+Na"	20.974666
"472253"	1312.008766	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M-2H+Na"	20.974666
"849820"	451.319366	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-2H+Na"	20.974666
"1619108"	451.319366	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Na-2H"	20.974666
"95877"	447.325763	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M-H+Cl"	33.962126
"538853"	662.498113	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M-H+Cl"	33.962126
"942501"	232.153413	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-H+Cl"	33.962126
"279683"	895.658802	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+Cl"	34.969402
"672104"	1326.003502	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+Cl"	34.969402
"1286571"	465.314102	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Cl"	34.969402
"29856"	897.638006	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M-2H+K"	36.948606
"468445"	1327.982706	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M-2H+K"	36.948606
"844425"	467.293306	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-2H+K"	36.948606
"1564634"	467.293306	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+K-2H"	36.948606
"947051"	475.342894	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-H+HCOOH"	44.998194
"366361"	905.687601	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+HCOOH-H"	44.998201
"346233"	919.703251	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+Hac-H"	59.013851
"1493478"	489.358551	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Hac-H"	59.013851
"959439"	497.324851	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-H+NaCOOH"	66.980151
"110776"	465.314102	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+2Cl"	69.938804
"551806"	680.486452	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+2Cl"	69.938804
"1021889"	250.141752	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2Cl"	69.938804
"1253311"	509.263585	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Br"	78.918885
"1314664"	511.319572	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Cl+HCOOH"	80.974872
"1329973"	533.301529	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Cl+NaCOOH"	102.956829
"919938"	543.330286	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M-H+CF3COOH"	112.985586
"1298834"	579.306964	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Cl+CF3COOH"	148.962264
"1376996"	395.332024	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H-2H2O"	-35.012676
"1390118"	413.342	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H-H2O"	-17.0027
"298397"	861.696676	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+H"	1.007276
"687698"	1292.041376	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+H"	1.007276
"1361861"	431.351976	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H"	1.007276
"136936"	431.351976	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+2H"	2.014552
"576498"	646.524326	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+2H"	2.014552
"1051626"	216.179626	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2H"	2.014552
"219036"	287.903742666667	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+3H"	3.021828
"658958"	431.351976	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+3H"	3.021828
"1175989"	144.455509333333	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+3H"	3.021828
"436345"	878.723223	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+NH4"	18.033823
"795153"	1309.067923	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+NH4"	18.033823
"1693669"	448.378523	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+NH4"	18.033823
"341947"	439.8652495	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+H+NH4"	19.041099
"732184"	655.0375995	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+H+NH4"	19.041099
"1487099"	224.6928995	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H+NH4"	19.041099
"401405"	883.678618	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+Na"	22.989218
"759120"	1314.023318	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+Na"	22.989218
"1605032"	453.333918	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Na"	22.989218
"321627"	442.342947	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+H+Na"	23.996494
"712955"	657.515297	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+H+Na"	23.996494
"1467865"	227.170597	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H+Na"	23.996494
"1061111"	151.782823333333	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2H+Na"	25.00377
"1263883"	463.378186	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+CH3OH+H"	33.033486
"381364"	899.652558	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+K"	38.963158
"742356"	1329.997258	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+K"	38.963158
"1544418"	469.307858	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+K"	38.963158
"302690"	450.329917	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+H+K"	39.970434
"697295"	665.502267	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+H+K"	39.970434
"1448928"	235.157567	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H+K"	39.970434
"238629"	902.723226	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+ACN+H"	42.033826
"1221186"	472.378526	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+ACN+H"	42.033826
"1202881"	236.692901	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+ACN+2H"	43.041102
"194659"	905.66056	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+2Na-H"	44.97116
"638594"	1336.00526	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+2Na-H"	44.97116
"1138816"	475.31586	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2Na-H"	44.97116
"178828"	453.333918	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+2Na"	45.978436
"620575"	668.506268	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+2Na"	45.978436
"1124079"	238.161568	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2Na"	45.978436
"1405420"	159.110137333333	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H+2Na"	46.985712
"1436443"	477.357446	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H+HCOOH"	47.012746
"229418"	458.36694	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+3H2O+2H"	56.04448
"1517481"	491.40949	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+IsoProp+H"	61.06479
"421425"	461.320888	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+Na+K"	61.952376
"782540"	676.493238	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+Na+K"	61.952376
"1677777"	246.148538	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Na+K"	61.952376
"257371"	924.705168	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+ACN+Na"	64.015768
"1233724"	494.360468	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+ACN+Na"	64.015768
"1725890"	494.383993	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+NH4+HCOOH"	64.039293
"1187965"	166.437451333333	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+3Na"	68.967654
"1651298"	499.339388	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Na+HCOOH"	68.994688
"158523"	937.60844	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+2K-H"	76.91904
"602823"	1367.95314	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+2K-H"	76.91904
"1085877"	507.26374	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2K-H"	76.91904
"143420"	469.307858	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"2M+2K"	77.926316
"582006"	684.480208	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"3M+2K"	77.926316
"1070408"	254.135508	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2K"	77.926316
"1101063"	509.278292	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2K+H"	78.933592
"1336479"	509.365907	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+DMSO+H"	79.021207
"1008524"	513.405076	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2ACN+H"	83.060376
"1524591"	514.398708	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+IsoProp+Na+H"	84.054008
"997854"	257.206176	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+2ACN+2H"	84.067652
"1602572"	515.313328	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+K+HCOOH"	84.968628
"1425675"	545.344838	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+H+CF3COOH"	115.000138
"1160337"	277.719451	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+3ACN+2H"	125.094202
"1707701"	562.371385	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+NH4+CF3COOH"	132.026685
"1643351"	567.32678	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+Na+CF3COOH"	136.98208
"1575722"	583.30072	"C14159"	"Stylisterol C"	"C28H46O3"	"430.3447"	"M+K+CF3COOH"	152.95602
"806089"	430.3447	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M"	0
"975001"	411.32631	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-H2O-H"	-19.01839
"65678"	285.889190666667	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M-3H"	-3.021828
"505233"	429.337424	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M-3H"	-3.021828
"885230"	142.440957333333	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-3H"	-3.021828
"2711"	429.337424	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M-2H"	-2.014552
"440810"	644.509774	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M-2H"	-2.014552
"820432"	214.165074	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-2H"	-2.014552
"81517"	859.682124	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M-H"	-1.007276
"521804"	1290.026824	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M-H"	-1.007276
"898512"	429.337424	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-H"	-1.007276
"48270"	876.708671	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M-2H+NH4"	16.019271
"488072"	1307.053371	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M-2H+NH4"	16.019271
"865509"	446.363971	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-2H+NH4"	16.019271
"32931"	881.664066	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M-2H+Na"	20.974666
"472125"	1312.008766	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M-2H+Na"	20.974666
"849689"	451.319366	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-2H+Na"	20.974666
"1618853"	451.319366	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Na-2H"	20.974666
"96473"	447.325763	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M-H+Cl"	33.962126
"538963"	662.498113	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M-H+Cl"	33.962126
"942726"	232.153413	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-H+Cl"	33.962126
"278700"	895.658802	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+Cl"	34.969402
"672215"	1326.003502	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+Cl"	34.969402
"1284617"	465.314102	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Cl"	34.969402
"30453"	897.638006	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M-2H+K"	36.948606
"470016"	1327.982706	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M-2H+K"	36.948606
"843442"	467.293306	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-2H+K"	36.948606
"1564744"	467.293306	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+K-2H"	36.948606
"946068"	475.342894	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-H+HCOOH"	44.998194
"366471"	905.687601	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+HCOOH-H"	44.998201
"346586"	919.703251	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+Hac-H"	59.013851
"1493951"	489.358551	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Hac-H"	59.013851
"959429"	497.324851	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-H+NaCOOH"	66.980151
"111250"	465.314102	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+2Cl"	69.938804
"555196"	680.486452	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+2Cl"	69.938804
"1021398"	250.141752	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2Cl"	69.938804
"1256337"	509.263585	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Br"	78.918885
"1318054"	511.319572	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Cl+HCOOH"	80.974872
"1331177"	533.301529	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Cl+NaCOOH"	102.956829
"923328"	543.330286	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M-H+CF3COOH"	112.985586
"1302225"	579.306964	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Cl+CF3COOH"	148.962264
"1377106"	395.332024	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H-2H2O"	-35.012676
"1393508"	413.342	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H-H2O"	-17.0027
"293196"	861.696676	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+H"	1.007276
"689995"	1292.041376	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+H"	1.007276
"1366671"	431.351976	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H"	1.007276
"140938"	431.351976	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+2H"	2.014552
"579524"	646.524326	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+2H"	2.014552
"1051249"	216.179626	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2H"	2.014552
"218787"	287.903742666667	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+3H"	3.021828
"659520"	431.351976	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+3H"	3.021828
"1177195"	144.455509333333	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+3H"	3.021828
"437549"	878.723223	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+NH4"	18.033823
"795264"	1309.067923	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+NH4"	18.033823
"1692687"	448.378523	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+NH4"	18.033823
"338777"	439.8652495	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+H+NH4"	19.041099
"733386"	655.0375995	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+H+NH4"	19.041099
"1486116"	224.6928995	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H+NH4"	19.041099
"401514"	883.678618	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+Na"	22.989218
"760322"	1314.023318	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+Na"	22.989218
"1607328"	453.333918	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Na"	22.989218
"320644"	442.342947	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+H+Na"	23.996494
"715252"	657.515297	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+H+Na"	23.996494
"1471259"	227.170597	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H+Na"	23.996494
"1063408"	151.782823333333	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2H+Na"	25.00377
"1267274"	463.378186	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+CH3OH+H"	33.033486
"383661"	899.652558	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+K"	38.963158
"743562"	1329.997258	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+K"	38.963158
"1544528"	469.307858	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+K"	38.963158
"303892"	450.329917	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+H+K"	39.970434
"696312"	665.502267	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+H+K"	39.970434
"1449038"	235.157567	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H+K"	39.970434
"237767"	902.723226	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+ACN+H"	42.033826
"1222025"	472.378526	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+ACN+H"	42.033826
"1204084"	236.692901	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+ACN+2H"	43.041102
"195862"	905.66056	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+2Na-H"	44.97116
"637608"	1336.00526	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+2Na-H"	44.97116
"1133091"	475.31586	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2Na-H"	44.97116
"175656"	453.333918	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+2Na"	45.978436
"619592"	668.506268	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+2Na"	45.978436
"1122002"	238.161568	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2Na"	45.978436
"1405530"	159.110137333333	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H+2Na"	46.985712
"1435822"	477.357446	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H+HCOOH"	47.012746
"227340"	458.36694	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+3H2O+2H"	56.04448
"1515399"	491.40949	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+IsoProp+H"	61.06479
"423479"	461.320888	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+Na+K"	61.952376
"782653"	676.493238	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+Na+K"	61.952376
"1674607"	246.148538	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Na+K"	61.952376
"258940"	924.705168	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+ACN+Na"	64.015768
"1234928"	494.360468	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+ACN+Na"	64.015768
"1722719"	494.383993	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+NH4+HCOOH"	64.039293
"1182607"	166.437451333333	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+3Na"	68.967654
"1651408"	499.339388	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Na+HCOOH"	68.994688
"158383"	937.60844	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+2K-H"	76.91904
"601476"	1367.95314	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+2K-H"	76.91904
"1086352"	507.26374	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2K-H"	76.91904
"144255"	469.307858	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"2M+2K"	77.926316
"583329"	684.480208	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"3M+2K"	77.926316
"1070276"	254.135508	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2K"	77.926316
"1101051"	509.278292	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2K+H"	78.933592
"1336464"	509.365907	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+DMSO+H"	79.021207
"1007182"	513.405076	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2ACN+H"	83.060376
"1524823"	514.398708	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+IsoProp+Na+H"	84.054008
"997964"	257.206176	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+2ACN+2H"	84.067652
"1602318"	515.313328	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+K+HCOOH"	84.968628
"1423598"	545.344838	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+H+CF3COOH"	115.000138
"1160447"	277.719451	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+3ACN+2H"	125.094202
"1707811"	562.371385	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+NH4+CF3COOH"	132.026685
"1643461"	567.32678	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+Na+CF3COOH"	136.98208
"1575832"	583.30072	"C14160"	"Hatomasterol"	"C28H46O3"	"430.3447"	"M+K+CF3COOH"	152.95602
"806199"	346.178	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M"	0
"975721"	327.15961	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-H2O-H"	-19.01839
"65788"	229.778057333333	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M-3H"	-3.021828
"504616"	345.170724	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M-3H"	-3.021828
"881087"	114.385390666667	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-3H"	-3.021828
"1727"	345.170724	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M-2H"	-2.014552
"441283"	518.259724	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M-2H"	-2.014552
"818717"	172.081724	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-2H"	-2.014552
"80166"	691.348724	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M-H"	-1.007276
"518872"	1037.526724	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M-H"	-1.007276
"896066"	345.170724	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-H"	-1.007276
"47893"	708.375271	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M-2H+NH4"	16.019271
"487570"	1054.553271	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M-2H+NH4"	16.019271
"865010"	362.197271	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-2H+NH4"	16.019271
"31738"	713.330666	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M-2H+Na"	20.974666
"471829"	1059.508666	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M-2H+Na"	20.974666
"849193"	367.152666	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-2H+Na"	20.974666
"1618723"	367.152666	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Na-2H"	20.974666
"95128"	363.159063	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M-H+Cl"	33.962126
"536157"	536.248063	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M-H+Cl"	33.962126
"942274"	190.070063	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-H+Cl"	33.962126
"277715"	727.325402	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+Cl"	34.969402
"671230"	1073.503402	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+Cl"	34.969402
"1285818"	381.147402	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Cl"	34.969402
"28376"	729.304606	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M-2H+K"	36.948606
"469029"	1075.482606	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M-2H+K"	36.948606
"841366"	383.126606	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-2H+K"	36.948606
"1570322"	383.126606	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+K-2H"	36.948606
"951645"	391.176194	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-H+HCOOH"	44.998194
"366581"	737.354201	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+HCOOH-H"	44.998201
"348276"	751.369851	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+Hac-H"	59.013851
"1492987"	405.191851	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Hac-H"	59.013851
"959416"	413.158151	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-H+NaCOOH"	66.980151
"110519"	381.147402	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+2Cl"	69.938804
"555306"	554.236402	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+2Cl"	69.938804
"1021469"	208.058402	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2Cl"	69.938804
"1246965"	425.096885	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Br"	78.918885
"1312694"	427.152872	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Cl+HCOOH"	80.974872
"1324722"	449.134829	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Cl+NaCOOH"	102.956829
"913958"	459.163586	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M-H+CF3COOH"	112.985586
"1292489"	495.140264	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Cl+CF3COOH"	148.962264
"1377214"	311.165324	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H-2H2O"	-35.012676
"1393618"	329.1753	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H-H2O"	-17.0027
"294397"	693.363276	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+H"	1.007276
"690833"	1039.541276	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+H"	1.007276
"1366661"	347.185276	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H"	1.007276
"141044"	347.185276	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+2H"	2.014552
"578905"	520.274276	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+2H"	2.014552
"1052081"	174.096276	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2H"	2.014552
"214511"	231.792609333333	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+3H"	3.021828
"656258"	347.185276	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+3H"	3.021828
"1172196"	116.399942666667	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+3H"	3.021828
"434374"	710.389823	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+NH4"	18.033823
"795374"	1056.567823	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+NH4"	18.033823
"1690608"	364.211823	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+NH4"	18.033823
"341074"	355.6985495	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+H+NH4"	19.041099
"734589"	528.7875495	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+H+NH4"	19.041099
"1488409"	182.6095495	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H+NH4"	19.041099
"405997"	715.345218	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+Na"	22.989218
"764804"	1061.523218	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+Na"	22.989218
"1610717"	369.167218	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Na"	22.989218
"320754"	358.176247	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+H+Na"	23.996494
"709165"	531.265247	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+H+Na"	23.996494
"1468089"	185.087247	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H+Na"	23.996494
"1061330"	123.727256666667	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2H+Na"	25.00377
"1264105"	379.211486	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+CH3OH+H"	33.033486
"382677"	731.319158	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+K"	38.963158
"740393"	1077.497158	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+K"	38.963158
"1542449"	385.141158	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+K"	38.963158
"304002"	366.163217	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+H+K"	39.970434
"695327"	539.252217	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+H+K"	39.970434
"1448053"	193.074217	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H+K"	39.970434
"238120"	734.389826	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+ACN+H"	42.033826
"1211917"	388.211826	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+ACN+H"	42.033826
"1204925"	194.609551	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+ACN+2H"	43.041102
"195972"	737.32716	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+2Na-H"	44.97116
"637718"	1083.50516	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+2Na-H"	44.97116
"1133565"	391.14916	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2Na-H"	44.97116
"177222"	369.167218	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+2Na"	45.978436
"620795"	542.256218	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+2Na"	45.978436
"1122112"	196.078218	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2Na"	45.978436
"1403817"	131.054570666667	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H+2Na"	46.985712
"1433744"	393.190746	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H+HCOOH"	47.012746
"227451"	374.20024	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+3H2O+2H"	56.04448
"1515509"	407.24279	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+IsoProp+H"	61.06479
"415202"	377.154188	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+Na+K"	61.952376
"785274"	550.243188	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+Na+K"	61.952376
"1677998"	204.065188	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Na+K"	61.952376
"263424"	756.371768	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+ACN+Na"	64.015768
"1236132"	410.193768	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+ACN+Na"	64.015768
"1725016"	410.217293	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+NH4+HCOOH"	64.039293
"1185995"	138.381884666667	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+3Na"	68.967654
"1651518"	415.172688	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Na+HCOOH"	68.994688
"158619"	769.27504	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+2K-H"	76.91904
"601586"	1115.45304	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+2K-H"	76.91904
"1086462"	423.09704	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2K-H"	76.91904
"143642"	385.141158	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"2M+2K"	77.926316
"582232"	558.230158	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"3M+2K"	77.926316
"1069415"	212.052158	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2K"	77.926316
"1101286"	425.111592	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2K+H"	78.933592
"1337425"	425.199207	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+DMSO+H"	79.021207
"1007655"	429.238376	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2ACN+H"	83.060376
"1524527"	430.232008	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+IsoProp+Na+H"	84.054008
"993699"	215.122826	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+2ACN+2H"	84.067652
"1600236"	431.146628	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+K+HCOOH"	84.968628
"1420427"	461.178138	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+H+CF3COOH"	115.000138
"1160557"	235.636101	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+3ACN+2H"	125.094202
"1709014"	478.204685	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+NH4+CF3COOH"	132.026685
"1642477"	483.16008	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+Na+CF3COOH"	136.98208
"1575942"	499.13402	"C14161"	"Gibberellin A37"	"C20H26O5"	"346.178"	"M+K+CF3COOH"	152.95602
"807402"	330.1831	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M"	0
"975467"	311.16471	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-H2O-H"	-19.01839
"65898"	219.114790666667	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M-3H"	-3.021828
"503269"	329.175824	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M-3H"	-3.021828
"881076"	109.053757333333	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-3H"	-3.021828
"1"	329.175824	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M-2H"	-2.014552
"440544"	494.267374	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M-2H"	-2.014552
"818342"	164.084274	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-2H"	-2.014552
"78939"	659.358924	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M-H"	-1.007276
"518896"	989.542024	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M-H"	-1.007276
"895810"	329.175824	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-H"	-1.007276
"47391"	676.385471	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M-2H+NH4"	16.019271
"488407"	1006.568571	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M-2H+NH4"	16.019271
"865965"	346.202371	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-2H+NH4"	16.019271
"31677"	681.340866	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M-2H+Na"	20.974666
"471397"	1011.523966	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M-2H+Na"	20.974666
"851368"	351.157766	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-2H+Na"	20.974666
"1618831"	351.157766	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Na-2H"	20.974666
"94629"	347.164163	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M-H+Cl"	33.962126
"535902"	512.255713	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M-H+Cl"	33.962126
"940360"	182.072613	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-H+Cl"	33.962126
"277826"	695.335602	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+Cl"	34.969402
"670246"	1025.518702	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+Cl"	34.969402
"1284835"	365.152502	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Cl"	34.969402
"27393"	697.314806	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M-2H+K"	36.948606
"468775"	1027.497906	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M-2H+K"	36.948606
"840383"	367.131706	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-2H+K"	36.948606
"1569339"	367.131706	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+K-2H"	36.948606
"951755"	375.181294	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-H+HCOOH"	44.998194
"371066"	705.364401	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+HCOOH-H"	44.998201
"350574"	719.380051	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+Hac-H"	59.013851
"1493330"	389.196951	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Hac-H"	59.013851
"962572"	397.163251	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-H+NaCOOH"	66.980151
"110588"	365.152502	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+2Cl"	69.938804
"553229"	530.244052	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+2Cl"	69.938804
"1027496"	200.060952	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2Cl"	69.938804
"1253636"	409.101985	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Br"	78.918885
"1310617"	411.157972	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Cl+HCOOH"	80.974872
"1323739"	433.139929	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Cl+NaCOOH"	102.956829
"914068"	443.168686	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M-H+CF3COOH"	112.985586
"1292599"	479.145364	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Cl+CF3COOH"	148.962264
"1375136"	295.170424	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H-2H2O"	-35.012676
"1392635"	313.1804	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H-H2O"	-17.0027
"293414"	661.373476	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+H"	1.007276
"690579"	991.556576	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+H"	1.007276
"1365838"	331.190376	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H"	1.007276
"137265"	331.190376	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+2H"	2.014552
"576828"	496.281926	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+2H"	2.014552
"1051463"	166.098826	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2H"	2.014552
"215715"	221.129342666667	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+3H"	3.021828
"650902"	331.190376	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+3H"	3.021828
"1168297"	111.068309333333	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+3H"	3.021828
"433391"	678.400023	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+NH4"	18.033823
"793294"	1008.583123	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+NH4"	18.033823
"1687438"	348.216923	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+NH4"	18.033823
"338998"	339.7036495	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+H+NH4"	19.041099
"732510"	504.7951995	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+H+NH4"	19.041099
"1485240"	174.6120995	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H+NH4"	19.041099
"401732"	683.355418	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+Na"	22.989218
"760541"	1013.538518	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+Na"	22.989218
"1609733"	353.172318	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Na"	22.989218
"320865"	342.181347	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+H+Na"	23.996494
"709276"	507.272897	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+H+Na"	23.996494
"1467105"	177.089797	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H+Na"	23.996494
"1058161"	118.395623333333	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2H+Na"	25.00377
"1263121"	363.216586	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+CH3OH+H"	33.033486
"379507"	699.329358	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+K"	38.963158
"740504"	1029.512458	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+K"	38.963158
"1540730"	369.146258	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+K"	38.963158
"303019"	350.168317	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+H+K"	39.970434
"693251"	515.259867	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+H+K"	39.970434
"1445888"	185.076767	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H+K"	39.970434
"236202"	702.400026	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+ACN+H"	42.033826
"1210030"	372.216926	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+ACN+H"	42.033826
"1203212"	186.612101	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+ACN+2H"	43.041102
"196080"	705.33736	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+2Na-H"	44.97116
"630537"	1035.52046	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+2Na-H"	44.97116
"1133311"	375.15426	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2Na-H"	44.97116
"175876"	353.172318	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+2Na"	45.978436
"620905"	518.263868	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+2Na"	45.978436
"1122222"	188.080768	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2Na"	45.978436
"1403927"	125.722937333333	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H+2Na"	46.985712
"1436042"	377.195846	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H+HCOOH"	47.012746
"229747"	358.20534	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+3H2O+2H"	56.04448
"1515619"	391.24789	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+IsoProp+H"	61.06479
"415312"	361.159288	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+Na+K"	61.952376
"782869"	526.250838	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+Na+K"	61.952376
"1677013"	196.067738	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Na+K"	61.952376
"260253"	724.381968	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+ACN+Na"	64.015768
"1237334"	394.198868	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+ACN+Na"	64.015768
"1722939"	394.222393	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+NH4+HCOOH"	64.039293
"1186105"	133.050251333333	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+3Na"	68.967654
"1651385"	399.177788	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Na+HCOOH"	68.994688
"157875"	737.28524	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+2K-H"	76.91904
"601696"	1067.46834	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+2K-H"	76.91904
"1084867"	407.10214	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2K-H"	76.91904
"142531"	369.146258	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"2M+2K"	77.926316
"581456"	534.237808	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"3M+2K"	77.926316
"1069519"	204.054708	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2K"	77.926316
"1101149"	409.116692	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2K+H"	78.933592
"1337047"	409.204307	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+DMSO+H"	79.021207
"1006670"	413.243476	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2ACN+H"	83.060376
"1524433"	414.237108	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+IsoProp+Na+H"	84.054008
"993809"	207.125376	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+2ACN+2H"	84.067652
"1600346"	415.151728	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+K+HCOOH"	84.968628
"1420537"	445.183238	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+H+CF3COOH"	115.000138
"1159574"	227.638651	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+3ACN+2H"	125.094202
"1710217"	462.209785	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+NH4+CF3COOH"	132.026685
"1642587"	467.16518	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+Na+CF3COOH"	136.98208
"1576052"	483.13912	"C14162"	"Gibberellin A15"	"C20H26O4"	"330.1831"	"M+K+CF3COOH"	152.95602
"806420"	214.063	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M"	0
"979952"	195.04461	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"71476"	141.701390666667	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"506660"	213.055724	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"883007"	70.3470573333333	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"1217"	213.055724	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"441505"	320.087224	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"818572"	106.024224	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"79290"	427.118724	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"519579"	641.181724	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"896772"	213.055724	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"48958"	444.145271	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"489732"	658.208271	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"865713"	230.082271	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"32520"	449.100666	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"472582"	663.163666	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"849532"	235.037666	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1618940"	235.037666	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"94454"	231.044063	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"534460"	338.075563	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"940469"	124.012563	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"276841"	463.095402	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"672543"	677.158402	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1282758"	249.032402	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"29567"	465.074606	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"468154"	679.137606	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"845594"	251.011606	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1569449"	251.011606	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"954052"	259.061194	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"372999"	473.124201	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"350684"	487.139851	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1499517"	273.076851	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"962683"	281.043151	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"114872"	249.032402	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"552246"	356.063902	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1027606"	142.000902	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1252653"	292.981885	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1308540"	295.037872	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1326035"	317.019829	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"916000"	327.048586	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1294896"	363.025264	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1380713"	179.050324	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1384356"	197.0603	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"294618"	429.133276	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"690324"	643.196276	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1365217"	215.070276	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H"	1.007276
"140779"	215.070276	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"580097"	322.101776	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1051573"	108.038776	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"219931"	143.715942666667	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"656479"	215.070276	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1168044"	72.3616093333333	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"432409"	446.159823	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"792311"	660.222823	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1689736"	232.096823	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"340201"	223.5835495	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"730435"	330.6150495	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1488629"	116.5520495	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"402937"	451.115218	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"760651"	665.178218	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1612031"	237.052218	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"323162"	226.061247	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"709386"	333.092747	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1467215"	119.029747	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1060459"	79.6889233333333	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1266511"	247.096486	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"378888"	467.089158	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"740614"	681.152158	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1540478"	253.026158	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+K"	38.963158
"301306"	234.048217	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"691696"	341.079717	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1446081"	127.016717	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"235864"	470.159826	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1211169"	256.096826	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1204051"	128.552051	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"195097"	473.09716	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"632104"	687.16016	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1134149"	259.03416	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"175257"	237.052218	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"621015"	344.083718	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1123425"	130.020718	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1410234"	87.0162373333333	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1440162"	261.075746	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"227671"	242.08524	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1520104"	275.12779	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"413236"	245.039188	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"777514"	352.070688	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1672751"	138.007688	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"256354"	492.141768	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1235624"	278.078768	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1723048"	278.102293	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1182933"	94.3435513333333	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1650474"	283.057688	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"158105"	505.04504	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"599254"	719.10804	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1085458"	290.98204	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"142519"	253.026158	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"582080"	360.057658	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1069629"	145.994658	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1101259"	292.996592	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1336791"	293.084207	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1006902"	297.123376	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1524323"	298.117008	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"991854"	149.065326	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1602242"	299.031628	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1422835"	329.063138	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1158591"	169.578601	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1708141"	346.089685	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1641604"	351.04508	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1576162"	367.01902	"C14163"	"Phenyl salicylate"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"806529"	556.7482	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M"	0
"980062"	537.72981	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-H2O-H"	-19.01839
"71586"	370.158190666667	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M-3H"	-3.021828
"505677"	555.740924	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M-3H"	-3.021828
"880928"	184.575457333333	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-3H"	-3.021828
"2056"	555.740924	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M-2H"	-2.014552
"441978"	834.115024	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M-2H"	-2.014552
"818808"	277.366824	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-2H"	-2.014552
"79524"	1112.489124	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M-H"	-1.007276
"519207"	1669.237324	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M-H"	-1.007276
"896277"	555.740924	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-H"	-1.007276
"47858"	1129.515671	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M-2H+NH4"	16.019271
"488393"	1686.263871	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M-2H+NH4"	16.019271
"864264"	572.767471	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-2H+NH4"	16.019271
"33131"	1134.471066	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M-2H+Na"	20.974666
"475974"	1691.219266	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M-2H+Na"	20.974666
"854869"	577.722866	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-2H+Na"	20.974666
"1623308"	577.722866	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Na-2H"	20.974666
"96556"	573.729263	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M-H+Cl"	33.962126
"534530"	852.103363	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M-H+Cl"	33.962126
"937297"	295.355163	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-H+Cl"	33.962126
"274765"	1148.465802	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+Cl"	34.969402
"668279"	1705.214002	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+Cl"	34.969402
"1282868"	591.717602	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Cl"	34.969402
"28705"	1150.445006	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M-2H+K"	36.948606
"467170"	1707.193206	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M-2H+K"	36.948606
"844611"	593.696806	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-2H+K"	36.948606
"1569559"	593.696806	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+K-2H"	36.948606
"954162"	601.746394	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-H+HCOOH"	44.998194
"373109"	1158.494601	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+HCOOH-H"	44.998201
"350794"	1172.510251	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+Hac-H"	59.013851
"1502543"	615.762051	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Hac-H"	59.013851
"962793"	623.728351	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-H+NaCOOH"	66.980151
"114982"	591.717602	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+2Cl"	69.938804
"552356"	870.091702	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+2Cl"	69.938804
"1022247"	313.343502	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2Cl"	69.938804
"1252763"	635.667085	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Br"	78.918885
"1315212"	637.723072	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Cl+HCOOH"	80.974872
"1333680"	659.705029	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Cl+NaCOOH"	102.956829
"920486"	669.733786	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M-H+CF3COOH"	112.985586
"1301569"	705.710464	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Cl+CF3COOH"	148.962264
"1379729"	521.735524	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H-2H2O"	-35.012676
"1390665"	539.7455	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H-H2O"	-17.0027
"296915"	1114.503676	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+H"	1.007276
"688977"	1671.251876	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+H"	1.007276
"1364600"	557.755476	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H"	1.007276
"138218"	557.755476	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+2H"	2.014552
"573768"	836.129576	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+2H"	2.014552
"1049496"	279.381376	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2H"	2.014552
"219218"	372.172742666667	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+3H"	3.021828
"656590"	557.755476	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+3H"	3.021828
"1173621"	186.590009333333	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+3H"	3.021828
"431425"	1131.530223	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+NH4"	18.033823
"792421"	1688.278423	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+NH4"	18.033823
"1688752"	574.782023	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+NH4"	18.033823
"340311"	566.2687495	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+H+NH4"	19.041099
"735648"	844.6428495	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+H+NH4"	19.041099
"1487646"	287.8946495	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H+NH4"	19.041099
"401954"	1136.485618	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+Na"	22.989218
"762950"	1693.233818	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+Na"	22.989218
"1607769"	579.737418	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Na"	22.989218
"316103"	568.746447	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+H+Na"	23.996494
"708404"	847.120547	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+H+Na"	23.996494
"1468418"	290.372347	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H+Na"	23.996494
"1061661"	193.917323333333	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2H+Na"	25.00377
"1268808"	589.781686	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+CH3OH+H"	33.033486
"386288"	1152.459558	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+K"	38.963158
"741817"	1709.207758	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+K"	38.963158
"1541078"	595.711358	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+K"	38.963158
"301052"	576.733417	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+H+K"	39.970434
"694563"	855.107517	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+H+K"	39.970434
"1448383"	298.359317	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H+K"	39.970434
"244649"	1155.530226	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+ACN+H"	42.033826
"1214077"	598.782026	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+ACN+H"	42.033826
"1204161"	299.894651	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+ACN+2H"	43.041102
"194114"	1158.46756	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+2Na-H"	44.97116
"631486"	1715.21576	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+2Na-H"	44.97116
"1138273"	601.71936	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2Na-H"	44.97116
"183751"	579.737418	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+2Na"	45.978436
"622219"	858.111518	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+2Na"	45.978436
"1123536"	301.363318	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2Na"	45.978436
"1409251"	201.244637333333	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H+2Na"	46.985712
"1440273"	603.760946	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H+HCOOH"	47.012746
"228875"	584.77044	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+3H2O+2H"	56.04448
"1518028"	617.81299	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+IsoProp+H"	61.06479
"414439"	587.724388	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+Na+K"	61.952376
"780905"	866.098488	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+Na+K"	61.952376
"1672862"	309.350288	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Na+K"	61.952376
"256101"	1177.512168	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+ACN+Na"	64.015768
"1230266"	620.763968	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+ACN+Na"	64.015768
"1720974"	620.787493	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+NH4+HCOOH"	64.039293
"1191432"	208.571951333333	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+3Na"	68.967654
"1650504"	625.742888	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Na+HCOOH"	68.994688
"159433"	1190.41544	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+2K-H"	76.91904
"598392"	1747.16364	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+2K-H"	76.91904
"1085570"	633.66724	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2K-H"	76.91904
"143115"	595.711358	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"2M+2K"	77.926316
"581833"	874.085458	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"3M+2K"	77.926316
"1068805"	317.337258	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2K"	77.926316
"1101127"	635.681792	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2K+H"	78.933592
"1337635"	635.769407	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+DMSO+H"	79.021207
"1006283"	639.808576	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2ACN+H"	83.060376
"1526115"	640.802208	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+IsoProp+Na+H"	84.054008
"996216"	320.407926	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+2ACN+2H"	84.067652
"1599473"	641.716828	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+K+HCOOH"	84.968628
"1421850"	671.748338	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+H+CF3COOH"	115.000138
"1155419"	340.921201	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+3ACN+2H"	125.094202
"1708251"	688.774885	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+NH4+CF3COOH"	132.026685
"1641714"	693.73028	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+Na+CF3COOH"	136.98208
"1576272"	709.70422	"C14164"	"Acetrizoic acid"	"C9H6I3NO3"	"556.7482"	"M+K+CF3COOH"	152.95602
"806639"	627.7853	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M"	0
"975309"	608.76691	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-H2O-H"	-19.01839
"71696"	417.516257333333	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M-3H"	-3.021828
"505058"	626.778024	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M-3H"	-3.021828
"881039"	208.254490666667	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-3H"	-3.021828
"1072"	626.778024	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M-2H"	-2.014552
"440631"	940.670674	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M-2H"	-2.014552
"818797"	312.885374	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-2H"	-2.014552
"78656"	1254.563324	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M-H"	-1.007276
"519803"	1882.348624	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M-H"	-1.007276
"895903"	626.778024	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-H"	-1.007276
"47149"	1271.589871	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M-2H+NH4"	16.019271
"487774"	1899.375171	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M-2H+NH4"	16.019271
"864971"	643.804571	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-2H+NH4"	16.019271
"35427"	1276.545266	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M-2H+Na"	20.974666
"477177"	1904.330566	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M-2H+Na"	20.974666
"857167"	648.759966	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-2H+Na"	20.974666
"1623418"	648.759966	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Na-2H"	20.974666
"96666"	644.766363	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M-H+Cl"	33.962126
"535499"	958.659013	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M-H+Cl"	33.962126
"936314"	330.873713	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-H+Cl"	33.962126
"279248"	1290.540002	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+Cl"	34.969402
"673856"	1918.325302	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+Cl"	34.969402
"1286258"	662.754702	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Cl"	34.969402
"28814"	1292.519206	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M-2H+K"	36.948606
"467280"	1920.304506	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M-2H+K"	36.948606
"847272"	664.733906	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-2H+K"	36.948606
"1570768"	664.733906	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+K-2H"	36.948606
"957920"	672.783494	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-H+HCOOH"	44.998194
"374312"	1300.568801	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+HCOOH-H"	44.998201
"353091"	1314.584451	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+Hac-H"	59.013851
"1498642"	686.799151	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Hac-H"	59.013851
"968372"	694.765451	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-H+NaCOOH"	66.980151
"116186"	662.754702	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+2Cl"	69.938804
"556840"	976.647352	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+2Cl"	69.938804
"1028919"	348.862052	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2Cl"	69.938804
"1251779"	706.704185	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Br"	78.918885
"1317511"	708.760172	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Cl+HCOOH"	80.974872
"1333912"	730.742129	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Cl+NaCOOH"	102.956829
"920596"	740.770886	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M-H+CF3COOH"	112.985586
"1301679"	776.747564	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Cl+CF3COOH"	148.962264
"1379839"	592.772624	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H-2H2O"	-35.012676
"1390776"	610.7826	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H-H2O"	-17.0027
"297027"	1256.577876	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+H"	1.007276
"689451"	1884.363176	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+H"	1.007276
"1364342"	628.792576	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H"	1.007276
"139786"	628.792576	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+2H"	2.014552
"580074"	942.685226	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+2H"	2.014552
"1049239"	314.899926	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2H"	2.014552
"219571"	419.530809333333	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+3H"	3.021828
"658282"	628.792576	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+3H"	3.021828
"1175919"	210.269042666667	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+3H"	3.021828
"429349"	1273.604423	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+NH4"	18.033823
"792531"	1901.389723	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+NH4"	18.033823
"1687769"	645.819123	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+NH4"	18.033823
"340421"	637.3058495	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+H+NH4"	19.041099
"733936"	951.1984995	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+H+NH4"	19.041099
"1492497"	323.4131995	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H+NH4"	19.041099
"405345"	1278.559818	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+Na"	22.989218
"761968"	1906.345118	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+Na"	22.989218
"1613346"	650.774518	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Na"	22.989218
"320102"	639.783547	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+H+Na"	23.996494
"711430"	953.676197	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+H+Na"	23.996494
"1467434"	325.890897	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H+Na"	23.996494
"1063959"	217.596356666667	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2H+Na"	25.00377
"1269647"	660.818786	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+CH3OH+H"	33.033486
"383118"	1294.533758	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+K"	38.963158
"739739"	1922.319058	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+K"	38.963158
"1541432"	666.748458	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+K"	38.963158
"300796"	647.770517	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+H+K"	39.970434
"693218"	961.663167	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+H+K"	39.970434
"1448130"	333.877867	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H+K"	39.970434
"241477"	1297.604426	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+ACN+H"	42.033826
"1214187"	669.819126	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+ACN+H"	42.033826
"1201351"	335.413201	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+ACN+2H"	43.041102
"194224"	1300.54176	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+2Na-H"	44.97116
"632689"	1928.32706	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+2Na-H"	44.97116
"1138383"	672.75646	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2Na-H"	44.97116
"183861"	650.774518	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+2Na"	45.978436
"623421"	964.667168	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+2Na"	45.978436
"1124739"	336.881868	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2Na"	45.978436
"1410454"	224.923670666667	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H+2Na"	46.985712
"1441477"	674.798046	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H+HCOOH"	47.012746
"232994"	655.80754	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+3H2O+2H"	56.04448
"1519231"	688.85009	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+IsoProp+H"	61.06479
"423050"	658.761488	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+Na+K"	61.952376
"783200"	972.654138	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+Na+K"	61.952376
"1677344"	344.868838	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Na+K"	61.952376
"258762"	1319.586368	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+ACN+Na"	64.015768
"1230376"	691.801068	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+ACN+Na"	64.015768
"1723271"	691.824593	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+NH4+HCOOH"	64.039293
"1191176"	232.250984666667	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+3Na"	68.967654
"1651345"	696.779988	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Na+HCOOH"	68.994688
"159908"	1332.48964	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+2K-H"	76.91904
"598866"	1960.27494	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+2K-H"	76.91904
"1085802"	704.70434	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2K-H"	76.91904
"144077"	666.748458	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"2M+2K"	77.926316
"582425"	980.641108	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"3M+2K"	77.926316
"1069488"	352.855808	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2K"	77.926316
"1100747"	706.718892	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2K+H"	78.933592
"1336405"	706.806507	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+DMSO+H"	79.021207
"1006275"	710.845676	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2ACN+H"	83.060376
"1524642"	711.839308	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+IsoProp+Na+H"	84.054008
"996326"	355.926476	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+2ACN+2H"	84.067652
"1598490"	712.753928	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+K+HCOOH"	84.968628
"1421960"	742.785438	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+H+CF3COOH"	115.000138
"1156622"	376.439751	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+3ACN+2H"	125.094202
"1709454"	759.811985	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+NH4+CF3COOH"	132.026685
"1641824"	764.76738	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+Na+CF3COOH"	136.98208
"1572006"	780.74132	"C14165"	"Metrizoic acid"	"C12H11I3N2O4"	"627.7853"	"M+K+CF3COOH"	152.95602
"806749"	333.194	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M"	0
"975178"	314.17561	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-H2O-H"	-19.01839
"71806"	221.122057333333	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M-3H"	-3.021828
"508084"	332.186724	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M-3H"	-3.021828
"881513"	110.057390666667	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-3H"	-3.021828
"573"	332.186724	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M-2H"	-2.014552
"440981"	498.783724	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M-2H"	-2.014552
"818541"	165.589724	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-2H"	-2.014552
"80720"	665.380724	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M-H"	-1.007276
"521736"	998.574724	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M-H"	-1.007276
"896986"	332.186724	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-H"	-1.007276
"47236"	682.407271	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M-2H+NH4"	16.019271
"487476"	1015.601271	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M-2H+NH4"	16.019271
"864714"	349.213271	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-2H+NH4"	16.019271
"35538"	687.362666	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M-2H+Na"	20.974666
"476194"	1020.556666	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M-2H+Na"	20.974666
"850713"	354.168666	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-2H+Na"	20.974666
"1623530"	354.168666	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+Na-2H"	20.974666
"96776"	350.175063	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M-H+Cl"	33.962126
"535609"	516.772063	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M-H+Cl"	33.962126
"937517"	183.578063	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-H+Cl"	33.962126
"281912"	701.357402	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M+Cl"	34.969402
"675347"	1034.551402	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M+Cl"	34.969402
"1288346"	368.163402	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+Cl"	34.969402
"30018"	703.336606	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M-2H+K"	36.948606
"467390"	1036.530606	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M-2H+K"	36.948606
"847383"	370.142606	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-2H+K"	36.948606
"1570877"	370.142606	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+K-2H"	36.948606
"955476"	378.192194	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-H+HCOOH"	44.998194
"375154"	711.386201	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M+HCOOH-H"	44.998201
"355389"	725.401851	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M+Hac-H"	59.013851
"1499846"	392.207851	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+Hac-H"	59.013851
"968482"	400.174151	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-H+NaCOOH"	66.980151
"119578"	368.163402	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"2M+2Cl"	69.938804
"559136"	534.760402	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"3M+2Cl"	69.938804
"1032311"	201.566402	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+2Cl"	69.938804
"1252983"	412.112885	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+Br"	78.918885
"1309963"	414.168872	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+Cl+HCOOH"	80.974872
"1326366"	436.150829	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+Cl+NaCOOH"	102.956829
"917425"	446.179586	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M-H+CF3COOH"	112.985586
"1294133"	482.156264	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+Cl+CF3COOH"	148.962264
"1374481"	298.181324	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+H-2H2O"	-35.012676
"1393071"	316.1913	"C14166"	"alpha-Eucaine"	"C19H27NO4"	"333.194"	"M+H-H2O"	-17.0027
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"1202665"	145.099151	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+ACN+2H"	43.041102
"201006"	539.28556	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"2M+2Na-H"	44.97116
"638378"	786.44276	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"3M+2Na-H"	44.97116
"1141884"	292.12836	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+2Na-H"	44.97116
"180800"	270.146418	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"2M+2Na"	45.978436
"622547"	393.725018	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"3M+2Na"	45.978436
"1124960"	146.567818	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+2Na"	45.978436
"1407392"	98.0476373333333	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+H+2Na"	46.985712
"1442789"	294.169946	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+H+HCOOH"	47.012746
"232485"	275.17944	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"2M+3H2O+2H"	56.04448
"1519452"	308.22199	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+IsoProp+H"	61.06479
"420963"	278.133388	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"2M+Na+K"	61.952376
"781230"	401.711988	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"3M+Na+K"	61.952376
"1676108"	154.554788	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+Na+K"	61.952376
"257524"	558.330168	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"2M+ACN+Na"	64.015768
"1226949"	311.172968	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+ACN+Na"	64.015768
"1716564"	311.196493	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+NH4+HCOOH"	64.039293
"1184470"	105.374951333333	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+3Na"	68.967654
"1650022"	316.151888	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+Na+HCOOH"	68.994688
"157404"	571.23344	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"2M+2K-H"	76.91904
"597380"	818.39064	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"3M+2K-H"	76.91904
"1084443"	324.07624	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+2K-H"	76.91904
"142352"	286.120358	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"2M+2K"	77.926316
"584960"	409.698958	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"3M+2K"	77.926316
"1068776"	162.541758	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+2K"	77.926316
"1099961"	326.090792	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+2K+H"	78.933592
"1335929"	326.178407	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+DMSO+H"	79.021207
"1009780"	330.217576	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+2ACN+H"	83.060376
"1524746"	331.211208	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+IsoProp+Na+H"	84.054008
"992170"	165.612426	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+2ACN+2H"	84.067652
"1588492"	332.125828	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+K+HCOOH"	84.968628
"1417801"	362.157338	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+H+CF3COOH"	115.000138
"1150281"	186.125701	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+3ACN+2H"	125.094202
"1704206"	379.183885	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+NH4+CF3COOH"	132.026685
"1642044"	384.13928	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+Na+CF3COOH"	136.98208
"1577695"	400.11322	"C14167"	"beta-Eucaine"	"C15H21NO2"	"247.1572"	"M+K+CF3COOH"	152.95602
"815353"	207.1259	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M"	0
"979407"	188.10751	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-H2O-H"	-19.01839
"73119"	137.076657333333	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M-3H"	-3.021828
"511587"	206.118624	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M-3H"	-3.021828
"885015"	68.0346906666667	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-3H"	-3.021828
"4683"	206.118624	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M-2H"	-2.014552
"443148"	309.681574	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M-2H"	-2.014552
"818518"	102.555674	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-2H"	-2.014552
"86409"	413.244524	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M-H"	-1.007276
"523782"	620.370424	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M-H"	-1.007276
"905956"	206.118624	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-H"	-1.007276
"49032"	430.271071	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M-2H+NH4"	16.019271
"490051"	637.396971	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M-2H+NH4"	16.019271
"864566"	223.145171	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-2H+NH4"	16.019271
"34664"	435.226466	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M-2H+Na"	20.974666
"478602"	642.352366	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M-2H+Na"	20.974666
"854214"	228.100566	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-2H+Na"	20.974666
"1627031"	228.100566	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Na-2H"	20.974666
"97362"	224.106963	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M-H+Cl"	33.962126
"542392"	327.669913	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M-H+Cl"	33.962126
"941020"	120.544013	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-H+Cl"	33.962126
"279581"	449.221202	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+Cl"	34.969402
"673947"	656.347102	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+Cl"	34.969402
"1286230"	242.095302	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Cl"	34.969402
"29757"	451.200406	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M-2H+K"	36.948606
"469436"	658.326306	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M-2H+K"	36.948606
"844323"	244.074506	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-2H+K"	36.948606
"1571216"	244.074506	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+K-2H"	36.948606
"958337"	252.124094	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-H+HCOOH"	44.998194
"375738"	459.250001	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+HCOOH-H"	44.998201
"357797"	473.265651	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+Hac-H"	59.013851
"1504440"	266.139751	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Hac-H"	59.013851
"967607"	274.106051	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-H+NaCOOH"	66.980151
"122713"	242.095302	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+2Cl"	69.938804
"559358"	345.658252	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+2Cl"	69.938804
"1034719"	138.532352	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2Cl"	69.938804
"1253935"	286.044785	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Br"	78.918885
"1309091"	288.100772	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Cl+HCOOH"	80.974872
"1325492"	310.082729	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Cl+NaCOOH"	102.956829
"917643"	320.111486	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M-H+CF3COOH"	112.985586
"1297631"	356.088164	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Cl+CF3COOH"	148.962264
"1373606"	172.113224	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H-2H2O"	-35.012676
"1394383"	190.1232	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H-H2O"	-17.0027
"297354"	415.259076	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+H"	1.007276
"689781"	622.384976	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+H"	1.007276
"1365030"	208.133176	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H"	1.007276
"136827"	208.133176	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+2H"	2.014552
"579318"	311.696126	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+2H"	2.014552
"1051399"	104.570226	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2H"	2.014552
"218693"	139.091209333333	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+3H"	3.021828
"659100"	208.133176	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+3H"	3.021828
"1177712"	70.0492426666667	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+3H"	3.021828
"438063"	432.285623	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+NH4"	18.033823
"800033"	639.411523	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+NH4"	18.033823
"1691379"	225.159723	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+NH4"	18.033823
"343917"	216.6464495	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+H+NH4"	19.041099
"735727"	320.2093995	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+H+NH4"	19.041099
"1488458"	113.0834995	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H+NH4"	19.041099
"405317"	437.241018	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+Na"	22.989218
"764484"	644.366918	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+Na"	22.989218
"1612583"	230.115118	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Na"	22.989218
"324445"	219.124147	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+H+Na"	23.996494
"719052"	322.687097	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+H+Na"	23.996494
"1463395"	115.561197	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H+Na"	23.996494
"1065752"	77.3765566666667	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2H+Na"	25.00377
"1268159"	240.159386	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+CH3OH+H"	33.033486
"386731"	453.214958	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+K"	38.963158
"747725"	660.340858	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+K"	38.963158
"1547598"	246.089058	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+K"	38.963158
"309148"	227.111117	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+H+K"	39.970434
"699383"	330.674067	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+H+K"	39.970434
"1453203"	123.548167	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H+K"	39.970434
"238528"	456.285626	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+ACN+H"	42.033826
"1213425"	249.159726	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+ACN+H"	42.033826
"1200589"	125.083501	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+ACN+2H"	43.041102
"193459"	459.22296	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+2Na-H"	44.97116
"634112"	666.34886	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+2Na-H"	44.97116
"1134338"	252.09706	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2Na-H"	44.97116
"183097"	230.115118	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+2Na"	45.978436
"624844"	333.678068	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+2Na"	45.978436
"1127256"	126.552168	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2Na"	45.978436
"1405313"	84.7038706666667	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H+2Na"	46.985712
"1440713"	254.138646	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H+HCOOH"	47.012746
"230408"	235.14814	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+3H2O+2H"	56.04448
"1514094"	268.19069	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+IsoProp+H"	61.06479
"421437"	238.102088	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+Na+K"	61.952376
"780246"	341.665038	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+Na+K"	61.952376
"1675128"	134.539138	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Na+K"	61.952376
"259822"	478.267568	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+ACN+Na"	64.015768
"1232530"	271.141668	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+ACN+Na"	64.015768
"1722508"	271.165193	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+NH4+HCOOH"	64.039293
"1188591"	92.0311846666667	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+3Na"	68.967654
"1652286"	276.120588	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Na+HCOOH"	68.994688
"160605"	491.17084	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+2K-H"	76.91904
"597982"	698.29674	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+2K-H"	76.91904
"1086501"	284.04494	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2K-H"	76.91904
"143317"	246.089058	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"2M+2K"	77.926316
"586162"	349.652008	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"3M+2K"	77.926316
"1072862"	142.526108	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2K"	77.926316
"1101332"	286.059492	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2K+H"	78.933592
"1336378"	286.147107	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+DMSO+H"	79.021207
"1007704"	290.186276	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2ACN+H"	83.060376
"1526195"	291.179908	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+IsoProp+Na+H"	84.054008
"992643"	145.596776	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+2ACN+2H"	84.067652
"1587872"	292.094528	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+K+HCOOH"	84.968628
"1420097"	322.126038	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+H+CF3COOH"	115.000138
"1156952"	166.110051	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+3ACN+2H"	125.094202
"1707597"	339.152585	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+NH4+CF3COOH"	132.026685
"1642154"	344.10798	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+Na+CF3COOH"	136.98208
"1576712"	360.08192	"C14168"	"3-(Dimethylamino)propyl benzoate"	"C12H17NO2"	"207.1259"	"M+K+CF3COOH"	152.95602
"807079"	235.1572	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M"	0
"974536"	216.13881	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-H2O-H"	-19.01839
"72136"	155.764190666667	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M-3H"	-3.021828
"509511"	234.149924	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M-3H"	-3.021828
"880506"	77.3784573333333	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-3H"	-3.021828
"1511"	234.149924	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M-2H"	-2.014552
"440131"	351.728524	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M-2H"	-2.014552
"817199"	116.571324	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-2H"	-2.014552
"79106"	469.307124	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M-H"	-1.007276
"520974"	704.464324	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M-H"	-1.007276
"902786"	234.149924	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-H"	-1.007276
"47674"	486.333671	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M-2H+NH4"	16.019271
"487846"	721.490871	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M-2H+NH4"	16.019271
"864713"	251.176471	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-2H+NH4"	16.019271
"33802"	491.289066	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M-2H+Na"	20.974666
"484181"	726.446266	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M-2H+Na"	20.974666
"854326"	256.131866	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-2H+Na"	20.974666
"1628234"	256.131866	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Na-2H"	20.974666
"98202"	252.138263	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M-H+Cl"	33.962126
"541409"	369.716863	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M-H+Cl"	33.962126
"940034"	134.559663	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-H+Cl"	33.962126
"280542"	505.283802	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+Cl"	34.969402
"671749"	740.441002	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+Cl"	34.969402
"1284880"	270.126602	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Cl"	34.969402
"28890"	507.263006	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M-2H+K"	36.948606
"467723"	742.420206	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M-2H+K"	36.948606
"844433"	272.105806	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-2H+K"	36.948606
"1570475"	272.105806	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+K-2H"	36.948606
"956174"	280.155394	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-H+HCOOH"	44.998194
"373659"	515.312601	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+HCOOH-H"	44.998201
"354625"	529.328251	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+Hac-H"	59.013851
"1505643"	294.171051	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Hac-H"	59.013851
"972820"	302.137351	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-H+NaCOOH"	66.980151
"117718"	270.126602	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+2Cl"	69.938804
"556186"	387.705202	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+2Cl"	69.938804
"1032641"	152.548002	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2Cl"	69.938804
"1252220"	314.076085	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Br"	78.918885
"1308107"	316.132072	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Cl+HCOOH"	80.974872
"1323779"	338.114029	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Cl+NaCOOH"	102.956829
"911920"	348.142786	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M-H+CF3COOH"	112.985586
"1289721"	384.119464	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Cl+CF3COOH"	148.962264
"1370436"	200.144524	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H-2H2O"	-35.012676
"1394493"	218.1545	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H-H2O"	-17.0027
"296371"	471.321676	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+H"	1.007276
"688794"	706.478876	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+H"	1.007276
"1362954"	236.164476	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H"	1.007276
"135844"	236.164476	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+2H"	2.014552
"577588"	353.743076	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+2H"	2.014552
"1049673"	118.585876	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2H"	2.014552
"219408"	157.778742666667	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+3H"	3.021828
"658969"	236.164476	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+3H"	3.021828
"1177213"	79.3930093333333	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+3H"	3.021828
"438664"	488.348223	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+NH4"	18.033823
"800388"	723.505423	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+NH4"	18.033823
"1692583"	253.191023	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+NH4"	18.033823
"344511"	244.6777495	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+H+NH4"	19.041099
"737660"	362.2563495	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+H+NH4"	19.041099
"1490390"	127.0991495	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H+NH4"	19.041099
"406517"	493.303618	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+Na"	22.989218
"768240"	728.460818	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+Na"	22.989218
"1613788"	258.146418	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Na"	22.989218
"324918"	247.155447	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+H+Na"	23.996494
"714059"	364.734047	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+H+Na"	23.996494
"1467880"	129.576847	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H+Na"	23.996494
"1063309"	86.7203233333333	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2H+Na"	25.00377
"1269364"	268.190686	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+CH3OH+H"	33.033486
"389395"	509.277558	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+K"	38.963158
"746743"	744.434758	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+K"	38.963158
"1546615"	274.120358	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+K"	38.963158
"308165"	255.142417	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+H+K"	39.970434
"698400"	372.721017	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+H+K"	39.970434
"1455500"	137.563817	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H+K"	39.970434
"241919"	512.348226	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+ACN+H"	42.033826
"1216815"	277.191026	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+ACN+H"	42.033826
"1203980"	139.099151	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+ACN+2H"	43.041102
"193569"	515.28556	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+2Na-H"	44.97116
"634223"	750.44276	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+2Na-H"	44.97116
"1139916"	280.12836	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2Na-H"	44.97116
"185761"	258.146418	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+2Na"	45.978436
"626414"	375.725018	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+2Na"	45.978436
"1127366"	140.567818	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2Na"	45.978436
"1409797"	94.0476373333333	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H+2Na"	46.985712
"1439728"	282.169946	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H+HCOOH"	47.012746
"230518"	263.17944	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+3H2O+2H"	56.04448
"1514204"	296.22199	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+IsoProp+H"	61.06479
"421544"	266.133388	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+Na+K"	61.952376
"778530"	383.711988	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+Na+K"	61.952376
"1676330"	148.554788	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Na+K"	61.952376
"258841"	534.330168	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+ACN+Na"	64.015768
"1232640"	299.172968	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+ACN+Na"	64.015768
"1721525"	299.196493	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+NH4+HCOOH"	64.039293
"1186879"	101.374951333333	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+3Na"	68.967654
"1652400"	304.151888	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Na+HCOOH"	68.994688
"161448"	547.23344	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+2K-H"	76.91904
"598093"	782.39064	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+2K-H"	76.91904
"1086248"	312.07624	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2K-H"	76.91904
"141643"	274.120358	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"2M+2K"	77.926316
"584085"	391.698958	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"3M+2K"	77.926316
"1072972"	156.541758	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2K"	77.926316
"1102901"	314.090792	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2K+H"	78.933592
"1339286"	314.178407	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+DMSO+H"	79.021207
"1007937"	318.217576	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2ACN+H"	83.060376
"1527035"	319.211208	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+IsoProp+Na+H"	84.054008
"991296"	159.612426	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+2ACN+2H"	84.067652
"1590171"	320.125828	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+K+HCOOH"	84.968628
"1418021"	350.157338	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+H+CF3COOH"	115.000138
"1157062"	180.125701	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+3ACN+2H"	125.094202
"1707707"	367.183885	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+NH4+CF3COOH"	132.026685
"1642264"	372.13928	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+Na+CF3COOH"	136.98208
"1576822"	388.11322	"C14169"	"Stovaine;Amylocaine"	"C14H21NO2"	"235.1572"	"M+K+CF3COOH"	152.95602
"815940"	167.0582	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M"	0
"986192"	148.03981	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"72246"	110.364857333333	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"504519"	166.050924	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"885238"	54.6787906666667	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"6000"	166.050924	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"442277"	249.580024	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"818374"	82.521824	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"80189"	333.109124	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"519866"	500.167324	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"896697"	166.050924	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"47177"	350.135671	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"487960"	517.193871	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"865033"	183.077471	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"32940"	355.091066	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"484291"	522.149266	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"860999"	188.032866	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1627251"	188.032866	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"98312"	184.039263	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"544436"	267.568363	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"940880"	100.510163	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"282232"	369.085802	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"675140"	536.144002	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1287908"	202.027602	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"30583"	371.065006	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"471001"	538.123206	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"847912"	204.006806	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1570470"	204.006806	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"956285"	212.056394	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"373405"	379.114601	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"358017"	393.130251	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1503568"	226.072051	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"968922"	234.038351	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"120016"	202.027602	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"555203"	285.556702	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1034574"	118.498502	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1255489"	245.977085	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1310404"	248.033072	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1325713"	270.015029	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"923332"	280.043786	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1298947"	316.020464	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1374921"	132.045524	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1394241"	150.0555	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"297941"	335.123676	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"690369"	502.181876	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1366678"	168.065476	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"139965"	168.065476	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"579894"	251.594576	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1046502"	84.536376	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"219840"	112.379409333333	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"658835"	168.065476	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1177689"	56.6933426666667	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"438286"	352.150223	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"798550"	519.208423	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1696667"	185.092023	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"342799"	176.5787495	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"737651"	260.1078495	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1491594"	93.0496495	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"405533"	357.105618	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"768716"	524.163818	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1614992"	190.047418	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"327946"	179.056447	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"718543"	262.585547	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1471268"	95.527347	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1064513"	64.0206566666667	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1268379"	200.091686	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"382579"	373.079558	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"743572"	540.137758	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1547818"	206.021358	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"308277"	187.043417	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"698510"	270.572517	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1452329"	103.514317	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"247499"	376.150226	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1222393"	209.092026	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1201902"	105.049651	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"196960"	379.08756	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"636520"	546.14576	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1142213"	212.02936	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"183319"	190.047418	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"627253"	273.576518	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1128575"	106.518318	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1411004"	71.3479706666667	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1444947"	214.070946	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"235128"	195.08044	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1520879"	228.12299	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"421659"	198.034388	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"780466"	281.563488	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1677897"	114.505288	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"264415"	398.132168	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1233843"	231.073968	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1721636"	231.097493	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1185897"	78.6752846666667	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1652510"	236.052888	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"162653"	411.03544	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"603307"	578.09364	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1094381"	243.97724	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"142443"	206.021358	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"594042"	289.550458	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1081470"	122.492258	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1112735"	245.991792	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1344866"	246.079407	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1013396"	250.118576	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1528240"	251.112208	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"995782"	125.562926	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1595753"	252.026828	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1420319"	282.058338	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1157172"	146.076201	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1707817"	299.084885	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1642374"	304.04028	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1576932"	320.01422	"C14170"	"p-Aminosalicylic acid methyl ester"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"806206"	167.0582	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M"	0
"976092"	148.03981	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"75636"	110.364857333333	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"507545"	166.050924	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"884256"	54.6787906666667	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"6110"	166.050924	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"444576"	249.580024	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"820551"	82.521824	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"80542"	333.109124	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"519006"	500.167324	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"895695"	166.050924	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"47201"	350.135671	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"487587"	517.193871	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"865998"	183.077471	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"33292"	355.091066	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"486307"	522.149266	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"861109"	188.032866	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1625175"	188.032866	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"99515"	184.039263	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"543454"	267.568363	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"942653"	100.510163	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"278821"	369.085802	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"675254"	536.144002	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1288430"	202.027602	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"31410"	371.065006	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"471382"	538.123206	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"848385"	204.006806	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1571270"	204.006806	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"958097"	212.056394	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"377004"	379.114601	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"358127"	393.130251	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1507567"	226.072051	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"972312"	234.038351	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"120126"	202.027602	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"555313"	285.556702	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1035048"	118.498502	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1255720"	245.977085	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1315982"	248.033072	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1331291"	270.015029	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"923442"	280.043786	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1299058"	316.020464	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1375031"	132.045524	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1395809"	150.0555	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"297935"	335.123676	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"689751"	502.181876	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1366465"	168.065476	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"140078"	168.065476	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"580368"	251.594576	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1051716"	84.536376	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"218526"	112.379409333333	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"659555"	168.065476	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1177921"	56.6933426666667	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"438638"	352.150223	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"795380"	519.208423	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1696452"	185.092023	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"344979"	176.5787495	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"738293"	260.1078495	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1491340"	93.0496495	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"403820"	357.105618	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"767003"	524.163818	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1614008"	190.047418	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"324048"	179.056447	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"716466"	262.585547	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1470286"	95.527347	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1062438"	64.0206566666667	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1266303"	200.091686	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"387063"	373.079558	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"741861"	540.137758	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1543919"	206.021358	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"305106"	187.043417	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"699714"	270.572517	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1451711"	103.514317	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"246516"	376.150226	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1220316"	209.092026	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1202012"	105.049651	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"194883"	379.08756	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"636630"	546.14576	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1140136"	212.02936	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"185617"	190.047418	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"628093"	273.576518	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1130751"	106.518318	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1413301"	71.3479706666667	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1443232"	214.070946	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"232927"	195.08044	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1519896"	228.12299	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"423834"	198.034388	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"781670"	281.563488	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1679464"	114.505288	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"264525"	398.132168	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1233953"	231.073968	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1720653"	231.097493	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1183820"	78.6752846666667	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1652620"	236.052888	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"160576"	411.03544	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"605604"	578.09364	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1094492"	243.97724	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"144745"	206.021358	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"596665"	289.550458	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1082796"	122.492258	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1112966"	245.991792	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1348256"	246.079407	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1016786"	250.118576	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1531630"	251.112208	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"995892"	125.562926	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1593676"	252.026828	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1420429"	282.058338	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1157282"	146.076201	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1707927"	299.084885	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1642484"	304.04028	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1577042"	320.01422	"C14171"	"Orthoform;Orthocaine"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"806316"	261.1729	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M"	0
"974447"	242.15451	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-H2O-H"	-19.01839
"71374"	173.107990666667	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M-3H"	-3.021828
"509839"	260.165624	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M-3H"	-3.021828
"880592"	86.0503573333333	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-3H"	-3.021828
"1845"	260.165624	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M-2H"	-2.014552
"440794"	390.752074	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M-2H"	-2.014552
"817541"	129.579174	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-2H"	-2.014552
"79236"	521.338524	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M-H"	-1.007276
"518671"	782.511424	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M-H"	-1.007276
"896067"	260.165624	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-H"	-1.007276
"47145"	538.365071	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M-2H+NH4"	16.019271
"487180"	799.537971	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M-2H+NH4"	16.019271
"864227"	277.192171	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-2H+NH4"	16.019271
"31520"	543.320466	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M-2H+Na"	20.974666
"471950"	804.493366	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M-2H+Na"	20.974666
"852470"	282.147566	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-2H+Na"	20.974666
"1618844"	282.147566	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Na-2H"	20.974666
"94435"	278.153963	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M-H+Cl"	33.962126
"540284"	408.740413	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M-H+Cl"	33.962126
"942196"	147.567513	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-H+Cl"	33.962126
"282806"	557.315202	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+Cl"	34.969402
"674751"	818.488102	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+Cl"	34.969402
"1288425"	296.142302	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Cl"	34.969402
"29591"	559.294406	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M-2H+K"	36.948606
"471139"	820.467306	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M-2H+K"	36.948606
"848482"	298.121506	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-2H+K"	36.948606
"1571230"	298.121506	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+K-2H"	36.948606
"958292"	306.171094	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-H+HCOOH"	44.998194
"376504"	567.344001	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+HCOOH-H"	44.998201
"357873"	581.359651	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+Hac-H"	59.013851
"1503789"	320.186751	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Hac-H"	59.013851
"970237"	328.153051	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-H+NaCOOH"	66.980151
"120236"	296.142302	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+2Cl"	69.938804
"558702"	426.728752	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+2Cl"	69.938804
"1034430"	165.555852	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2Cl"	69.938804
"1255466"	340.091785	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Br"	78.918885
"1314999"	342.147772	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Cl+HCOOH"	80.974872
"1331401"	364.129729	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Cl+NaCOOH"	102.956829
"923552"	374.158486	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M-H+CF3COOH"	112.985586
"1298075"	410.135164	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Cl+CF3COOH"	148.962264
"1376235"	226.160224	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H-2H2O"	-35.012676
"1397013"	244.1702	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H-H2O"	-17.0027
"295604"	523.353076	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+H"	1.007276
"690954"	784.525976	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+H"	1.007276
"1365480"	262.180176	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H"	1.007276
"140188"	262.180176	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+2H"	2.014552
"579749"	392.766626	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+2H"	2.014552
"1051104"	131.593726	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2H"	2.014552
"219918"	175.122542666667	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+3H"	3.021828
"659300"	262.180176	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+3H"	3.021828
"1177667"	88.0649093333333	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+3H"	3.021828
"438142"	540.379623	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+NH4"	18.033823
"798770"	801.552523	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+NH4"	18.033823
"1695104"	279.206723	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+NH4"	18.033823
"344111"	270.6934495	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+H+NH4"	19.041099
"737629"	401.2798995	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+H+NH4"	19.041099
"1489991"	140.1069995	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H+NH4"	19.041099
"402839"	545.335018	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+Na"	22.989218
"762739"	806.507918	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+Na"	22.989218
"1613024"	284.162118	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Na"	22.989218
"318688"	273.171147	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+H+Na"	23.996494
"715482"	403.757597	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+H+Na"	23.996494
"1470395"	142.584697	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H+Na"	23.996494
"1061453"	95.3922233333333	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2H+Na"	25.00377
"1267870"	294.206386	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+CH3OH+H"	33.033486
"382799"	561.308958	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+K"	38.963158
"740877"	822.481858	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+K"	38.963158
"1548039"	300.136058	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+K"	38.963158
"307404"	281.158117	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+H+K"	39.970434
"695450"	411.744567	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+H+K"	39.970434
"1448905"	150.571667	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H+K"	39.970434
"245532"	564.379626	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+ACN+H"	42.033826
"1220426"	303.206726	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+ACN+H"	42.033826
"1200299"	152.107001	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+ACN+2H"	43.041102
"194993"	567.31696	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+2Na-H"	44.97116
"636740"	828.48986	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+2Na-H"	44.97116
"1140246"	306.14406	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2Na-H"	44.97116
"185726"	284.162118	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+2Na"	45.978436
"628327"	414.748568	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+2Na"	45.978436
"1129524"	153.575668	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2Na"	45.978436
"1411224"	102.719537333333	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H+2Na"	46.985712
"1443341"	308.185646	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H+HCOOH"	47.012746
"233037"	289.19514	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+3H2O+2H"	56.04448
"1521100"	322.23769	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+IsoProp+H"	61.06479
"416411"	292.149088	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+Na+K"	61.952376
"780687"	422.735538	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+Na+K"	61.952376
"1679209"	161.562638	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Na+K"	61.952376
"264635"	586.361568	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+ACN+Na"	64.015768
"1234063"	325.188668	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+ACN+Na"	64.015768
"1722950"	325.212193	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+NH4+HCOOH"	64.039293
"1185023"	110.046851333333	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+3Na"	68.967654
"1652730"	330.167588	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Na+HCOOH"	68.994688
"160686"	599.26484	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+2K-H"	76.91904
"603528"	860.43774	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+2K-H"	76.91904
"1094602"	338.09194	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2K-H"	76.91904
"143762"	300.136058	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"2M+2K"	77.926316
"596777"	430.722508	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"3M+2K"	77.926316
"1083514"	169.549608	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2K"	77.926316
"1113805"	340.106492	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2K+H"	78.933592
"1348366"	340.194107	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+DMSO+H"	79.021207
"1015803"	344.233276	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2ACN+H"	83.060376
"1533929"	345.226908	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+IsoProp+Na+H"	84.054008
"996002"	172.620276	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+2ACN+2H"	84.067652
"1601077"	346.141528	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+K+HCOOH"	84.968628
"1422727"	376.173038	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+H+CF3COOH"	115.000138
"1160673"	193.133551	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+3ACN+2H"	125.094202
"1708037"	393.199585	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+NH4+CF3COOH"	132.026685
"1642594"	398.15498	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+Na+CF3COOH"	136.98208
"1573870"	414.12892	"C14172"	"Hexylcaine"	"C16H23NO2"	"261.1729"	"M+K+CF3COOH"	152.95602
"807519"	261.1729	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M"	0
"975948"	242.15451	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-H2O-H"	-19.01839
"72576"	173.107990666667	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M-3H"	-3.021828
"509949"	260.165624	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M-3H"	-3.021828
"880822"	86.0503573333333	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-3H"	-3.021828
"3050"	260.165624	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M-2H"	-2.014552
"442243"	390.752074	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M-2H"	-2.014552
"817090"	129.579174	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-2H"	-2.014552
"81856"	521.338524	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M-H"	-1.007276
"519228"	782.511424	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M-H"	-1.007276
"896787"	260.165624	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-H"	-1.007276
"47425"	538.365071	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M-2H+NH4"	16.019271
"487475"	799.537971	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M-2H+NH4"	16.019271
"864590"	277.192171	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-2H+NH4"	16.019271
"31913"	543.320466	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M-2H+Na"	20.974666
"473316"	804.493366	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M-2H+Na"	20.974666
"852580"	282.147566	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-2H+Na"	20.974666
"1620653"	282.147566	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Na-2H"	20.974666
"95358"	278.153963	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M-H+Cl"	33.962126
"540392"	408.740413	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M-H+Cl"	33.962126
"933909"	147.567513	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-H+Cl"	33.962126
"280126"	557.315202	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+Cl"	34.969402
"673640"	818.488102	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+Cl"	34.969402
"1286899"	296.142302	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Cl"	34.969402
"28599"	559.294406	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M-2H+K"	36.948606
"464879"	820.467306	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M-2H+K"	36.948606
"847786"	298.121506	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-2H+K"	36.948606
"1570797"	298.121506	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+K-2H"	36.948606
"956981"	306.171094	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-H+HCOOH"	44.998194
"374831"	567.344001	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+HCOOH-H"	44.998201
"356889"	581.359651	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+Hac-H"	59.013851
"1505356"	320.186751	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Hac-H"	59.013851
"972779"	328.153051	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-H+NaCOOH"	66.980151
"120346"	296.142302	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+2Cl"	69.938804
"555533"	426.728752	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+2Cl"	69.938804
"1023239"	165.555852	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2Cl"	69.938804
"1248285"	340.091785	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Br"	78.918885
"1309641"	342.147772	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Cl+HCOOH"	80.974872
"1321668"	364.129729	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Cl+NaCOOH"	102.956829
"912726"	374.158486	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M-H+CF3COOH"	112.985586
"1289431"	410.135164	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Cl+CF3COOH"	148.962264
"1369782"	226.160224	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H-2H2O"	-35.012676
"1385093"	244.1702	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H-H2O"	-17.0027
"285872"	523.353076	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+H"	1.007276
"690333"	784.525976	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+H"	1.007276
"1362300"	262.180176	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H"	1.007276
"140297"	262.180176	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+2H"	2.014552
"571470"	392.766626	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+2H"	2.014552
"1041363"	131.593726	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2H"	2.014552
"219805"	175.122542666667	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+3H"	3.021828
"659406"	262.180176	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+3H"	3.021828
"1176803"	88.0649093333333	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+3H"	3.021828
"438980"	540.379623	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+NH4"	18.033823
"798883"	801.552523	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+NH4"	18.033823
"1694846"	279.206723	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+NH4"	18.033823
"342396"	270.6934495	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+H+NH4"	19.041099
"733723"	401.2798995	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+H+NH4"	19.041099
"1490098"	140.1069995	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H+NH4"	19.041099
"401852"	545.335018	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+Na"	22.989218
"765033"	806.507918	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+Na"	22.989218
"1615321"	284.162118	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Na"	22.989218
"324994"	273.171147	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+H+Na"	23.996494
"717781"	403.757597	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+H+Na"	23.996494
"1470506"	142.584697	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H+Na"	23.996494
"1062655"	95.3922233333333	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2H+Na"	25.00377
"1267613"	294.206386	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+CH3OH+H"	33.033486
"381813"	561.308958	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+K"	38.963158
"740621"	822.481858	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+K"	38.963158
"1542679"	300.136058	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+K"	38.963158
"303136"	281.158117	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+H+K"	39.970434
"695192"	411.744567	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+H+K"	39.970434
"1449012"	150.571667	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H+K"	39.970434
"243452"	564.379626	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+ACN+H"	42.033826
"1215432"	303.206726	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+ACN+H"	42.033826
"1206242"	152.107001	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+ACN+2H"	43.041102
"192550"	567.31696	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+2Na-H"	44.97116
"631745"	828.48986	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+2Na-H"	44.97116
"1135981"	306.14406	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2Na-H"	44.97116
"183650"	284.162118	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+2Na"	45.978436
"622116"	414.748568	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+2Na"	45.978436
"1126712"	153.575668	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2Na"	45.978436
"1406959"	102.719537333333	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H+2Na"	46.985712
"1437980"	308.185646	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H+HCOOH"	47.012746
"225489"	289.19514	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+3H2O+2H"	56.04448
"1518655"	322.23769	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+IsoProp+H"	61.06479
"416520"	292.149088	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+Na+K"	61.952376
"774596"	422.735538	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+Na+K"	61.952376
"1668744"	161.562638	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Na+K"	61.952376
"260369"	586.361568	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+ACN+Na"	64.015768
"1230890"	325.188668	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+ACN+Na"	64.015768
"1720871"	325.212193	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+NH4+HCOOH"	64.039293
"1182944"	110.046851333333	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+3Na"	68.967654
"1650526"	330.167588	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Na+HCOOH"	68.994688
"160794"	599.26484	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+2K-H"	76.91904
"597430"	860.43774	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+2K-H"	76.91904
"1084376"	338.09194	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2K-H"	76.91904
"141465"	300.136058	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"2M+2K"	77.926316
"581555"	430.722508	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"3M+2K"	77.926316
"1070112"	169.549608	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2K"	77.926316
"1100082"	340.106492	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2K+H"	78.933592
"1337902"	340.194107	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+DMSO+H"	79.021207
"1006305"	344.233276	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2ACN+H"	83.060376
"1527475"	345.226908	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+IsoProp+Na+H"	84.054008
"990271"	172.620276	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+2ACN+2H"	84.067652
"1588911"	346.141528	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+K+HCOOH"	84.968628
"1417368"	376.173038	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+H+CF3COOH"	115.000138
"1153125"	193.133551	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+3ACN+2H"	125.094202
"1700490"	393.199585	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+NH4+CF3COOH"	132.026685
"1636505"	398.15498	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+Na+CF3COOH"	136.98208
"1572153"	414.12892	"C14173"	"Piperocaine;Metycaine"	"C16H23NO2"	"261.1729"	"M+K+CF3COOH"	152.95602
"813097"	311.1885	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M"	0
"983349"	292.17011	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-H2O-H"	-19.01839
"72686"	206.451724	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M-3H"	-3.021828
"510059"	310.181224	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M-3H"	-3.021828
"884579"	102.722224	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-3H"	-3.021828
"3160"	310.181224	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M-2H"	-2.014552
"441989"	465.775474	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M-2H"	-2.014552
"820882"	154.586974	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-2H"	-2.014552
"83061"	621.369724	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M-H"	-1.007276
"521528"	932.558224	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M-H"	-1.007276
"898114"	310.181224	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-H"	-1.007276
"52611"	638.396271	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M-2H+NH4"	16.019271
"488277"	949.584771	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M-2H+NH4"	16.019271
"865592"	327.207771	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-2H+NH4"	16.019271
"31597"	643.351666	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M-2H+Na"	20.974666
"473911"	954.540166	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M-2H+Na"	20.974666
"852690"	332.163166	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-2H+Na"	20.974666
"1621126"	332.163166	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Na-2H"	20.974666
"95953"	328.169563	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M-H+Cl"	33.962126
"536484"	483.763813	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M-H+Cl"	33.962126
"934019"	172.575313	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-H+Cl"	33.962126
"279872"	657.346402	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+Cl"	34.969402
"670470"	968.534902	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+Cl"	34.969402
"1286641"	346.157902	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Cl"	34.969402
"24336"	659.325606	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M-2H+K"	36.948606
"464989"	970.514106	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M-2H+K"	36.948606
"846072"	348.137106	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-2H+K"	36.948606
"1570670"	348.137106	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+K-2H"	36.948606
"957091"	356.186694	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-H+HCOOH"	44.998194
"376035"	667.375201	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+HCOOH-H"	44.998201
"358458"	681.390851	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+Hac-H"	59.013851
"1505102"	370.202351	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Hac-H"	59.013851
"974023"	378.168651	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-H+NaCOOH"	66.980151
"117176"	346.157902	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+2Cl"	69.938804
"555643"	501.752152	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+2Cl"	69.938804
"1023713"	190.563652	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2Cl"	69.938804
"1245115"	390.107385	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Br"	78.918885
"1308656"	392.163372	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Cl+HCOOH"	80.974872
"1320275"	414.145329	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Cl+NaCOOH"	102.956829
"912021"	424.174086	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M-H+CF3COOH"	112.985586
"1289376"	460.150764	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Cl+CF3COOH"	148.962264
"1368189"	276.175824	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H-2H2O"	-35.012676
"1386296"	294.1858	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H-H2O"	-17.0027
"289262"	623.384276	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+H"	1.007276
"690564"	934.572776	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+H"	1.007276
"1363870"	312.195776	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H"	1.007276
"138584"	312.195776	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+2H"	2.014552
"578508"	467.790026	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+2H"	2.014552
"1041473"	156.601526	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2H"	2.014552
"219229"	208.466276	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+3H"	3.021828
"659559"	312.195776	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+3H"	3.021828
"1176549"	104.736776	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+3H"	3.021828
"439090"	640.410823	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+NH4"	18.033823
"799721"	951.599323	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+NH4"	18.033823
"1695688"	329.222323	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+NH4"	18.033823
"340319"	320.7090495	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+H+NH4"	19.041099
"734927"	476.3032995	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+H+NH4"	19.041099
"1487657"	165.1147995	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H+NH4"	19.041099
"399775"	645.366218	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+Na"	22.989218
"762957"	956.554718	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+Na"	22.989218
"1611058"	334.177718	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Na"	22.989218
"325103"	323.186747	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+H+Na"	23.996494
"716797"	478.780997	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+H+Na"	23.996494
"1469523"	167.592497	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H+Na"	23.996494
"1060579"	112.06409	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2H+Na"	25.00377
"1264444"	344.221986	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+CH3OH+H"	33.033486
"380830"	661.340158	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+K"	38.963158
"740731"	972.528658	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+K"	38.963158
"1541696"	350.151658	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+K"	38.963158
"303610"	331.173717	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+H+K"	39.970434
"696396"	486.767967	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+H+K"	39.970434
"1452039"	175.579467	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H+K"	39.970434
"243564"	664.410826	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+ACN+H"	42.033826
"1213353"	353.222326	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+ACN+H"	42.033826
"1203438"	177.114801	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+ACN+2H"	43.041102
"195213"	667.34816	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+2Na-H"	44.97116
"635137"	978.53666	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+2Na-H"	44.97116
"1136091"	356.15966	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2Na-H"	44.97116
"183759"	334.177718	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+2Na"	45.978436
"623320"	489.771968	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+2Na"	45.978436
"1125729"	178.583468	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2Na"	45.978436
"1407070"	119.391404	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H+2Na"	46.985712
"1439913"	358.201246	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H+HCOOH"	47.012746
"226694"	339.21074	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+3H2O+2H"	56.04448
"1512570"	372.25329	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+IsoProp+H"	61.06479
"415535"	342.164688	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+Na+K"	61.952376
"773617"	497.758938	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+Na+K"	61.952376
"1671770"	186.570438	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Na+K"	61.952376
"254280"	686.392768	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+ACN+Na"	64.015768
"1229542"	375.204268	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+ACN+Na"	64.015768
"1714782"	375.227793	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+NH4+HCOOH"	64.039293
"1180866"	126.718718	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+3Na"	68.967654
"1650758"	380.183188	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Na+HCOOH"	68.994688
"160905"	699.29604	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+2K-H"	76.91904
"597910"	1010.48454	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+2K-H"	76.91904
"1084561"	388.10754	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2K-H"	76.91904
"143372"	350.151658	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"2M+2K"	77.926316
"581501"	505.745908	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"3M+2K"	77.926316
"1069133"	194.557408	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2K"	77.926316
"1100893"	390.122092	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2K+H"	78.933592
"1336306"	390.209707	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+DMSO+H"	79.021207
"1006052"	394.248876	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2ACN+H"	83.060376
"1524909"	395.242508	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+IsoProp+Na+H"	84.054008
"990992"	197.628076	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+2ACN+2H"	84.067652
"1588899"	396.157128	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+K+HCOOH"	84.968628
"1418936"	426.188638	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+H+CF3COOH"	115.000138
"1157612"	218.141351	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+3ACN+2H"	125.094202
"1702789"	443.215185	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+NH4+CF3COOH"	132.026685
"1639534"	448.17058	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+Na+CF3COOH"	136.98208
"1577372"	464.14452	"C14174"	"Allocain-S"	"C20H25NO2"	"311.1885"	"M+K+CF3COOH"	152.95602
"807739"	222.0892	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M"	0
"982365"	203.07081	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-H2O-H"	-19.01839
"72796"	147.052190666667	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M-3H"	-3.021828
"511262"	221.081924	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M-3H"	-3.021828
"884689"	73.0224573333333	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-3H"	-3.021828
"3629"	221.081924	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M-2H"	-2.014552
"440188"	332.126524	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M-2H"	-2.014552
"821721"	110.037324	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-2H"	-2.014552
"81713"	443.171124	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M-H"	-1.007276
"519813"	665.260324	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M-H"	-1.007276
"898343"	221.081924	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-H"	-1.007276
"48345"	460.197671	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M-2H+NH4"	16.019271
"487783"	682.286871	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M-2H+NH4"	16.019271
"864856"	238.108471	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-2H+NH4"	16.019271
"32385"	465.153066	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M-2H+Na"	20.974666
"473899"	687.242266	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M-2H+Na"	20.974666
"852800"	243.063866	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-2H+Na"	20.974666
"1621600"	243.063866	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Na-2H"	20.974666
"96671"	239.070263	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M-H+Cl"	33.962126
"536595"	350.114863	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M-H+Cl"	33.962126
"934129"	128.025663	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-H+Cl"	33.962126
"280346"	479.147802	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+Cl"	34.969402
"669486"	701.237002	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+Cl"	34.969402
"1285170"	257.058602	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Cl"	34.969402
"25539"	481.127006	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M-2H+K"	36.948606
"464005"	703.216206	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M-2H+K"	36.948606
"840715"	259.037806	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-2H+K"	36.948606
"1570044"	259.037806	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+K-2H"	36.948606
"955744"	267.087394	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-H+HCOOH"	44.998194
"375903"	489.176601	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+HCOOH-H"	44.998201
"357473"	503.192251	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+Hac-H"	59.013851
"1501930"	281.103051	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Hac-H"	59.013851
"972751"	289.069351	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-H+NaCOOH"	66.980151
"118379"	257.058602	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+2Cl"	69.938804
"555753"	368.103202	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+2Cl"	69.938804
"1023459"	146.014002	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2Cl"	69.938804
"1245225"	301.008085	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Br"	78.918885
"1308766"	303.064072	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Cl+HCOOH"	80.974872
"1321156"	325.046029	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Cl+NaCOOH"	102.956829
"912942"	335.074786	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M-H+CF3COOH"	112.985586
"1289286"	371.051464	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Cl+CF3COOH"	148.962264
"1369272"	187.076524	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H-2H2O"	-35.012676
"1385312"	205.0865	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H-H2O"	-17.0027
"286092"	445.185676	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+H"	1.007276
"688724"	667.274876	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+H"	1.007276
"1362520"	223.096476	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H"	1.007276
"139058"	223.096476	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+2H"	2.014552
"578982"	334.141076	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+2H"	2.014552
"1042676"	112.051876	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2H"	2.014552
"219455"	149.066742666667	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+3H"	3.021828
"659915"	223.096476	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+3H"	3.021828
"1177751"	75.0370093333333	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+3H"	3.021828
"439876"	462.212223	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+NH4"	18.033823
"800195"	684.301423	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+NH4"	18.033823
"1695430"	240.123023	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+NH4"	18.033823
"341522"	231.6097495	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+H+NH4"	19.041099
"736130"	342.6543495	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+H+NH4"	19.041099
"1489953"	120.5651495	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H+NH4"	19.041099
"399885"	467.167618	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+Na"	22.989218
"764160"	689.256818	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+Na"	22.989218
"1613355"	245.078418	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Na"	22.989218
"327765"	234.087447	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+H+Na"	23.996494
"718728"	345.132047	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+H+Na"	23.996494
"1469633"	123.042847	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H+Na"	23.996494
"1060689"	82.3643233333333	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2H+Na"	25.00377
"1266741"	255.122686	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+CH3OH+H"	33.033486
"384221"	483.141558	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+K"	38.963158
"743029"	705.230758	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+K"	38.963158
"1544357"	261.052358	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+K"	38.963158
"303356"	242.074417	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+H+K"	39.970434
"695412"	353.119017	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+H+K"	39.970434
"1449598"	131.029817	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H+K"	39.970434
"242945"	486.212226	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+ACN+H"	42.033826
"1214921"	264.123026	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+ACN+H"	42.033826
"1202454"	132.565151	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+ACN+2H"	43.041102
"193499"	489.14956	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+2Na-H"	44.97116
"637069"	711.23876	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+2Na-H"	44.97116
"1138387"	267.06036	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2Na-H"	44.97116
"185327"	245.078418	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+2Na"	45.978436
"623429"	356.123018	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+2Na"	45.978436
"1123652"	134.033818	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2Na"	45.978436
"1408273"	89.6916373333333	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H+2Na"	46.985712
"1441116"	269.101946	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H+HCOOH"	47.012746
"224981"	250.11144	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+3H2O+2H"	56.04448
"1513773"	283.15399	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+IsoProp+H"	61.06479
"414551"	253.065388	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+Na+K"	61.952376
"776642"	364.109988	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+Na+K"	61.952376
"1672244"	142.020788	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Na+K"	61.952376
"253660"	508.194168	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+ACN+Na"	64.015768
"1230745"	286.104968	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+ACN+Na"	64.015768
"1714888"	286.128493	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+NH4+HCOOH"	64.039293
"1179755"	97.0189513333333	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+3Na"	68.967654
"1650505"	291.083888	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Na+HCOOH"	68.994688
"159921"	521.09744	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+2K-H"	76.91904
"598020"	743.18664	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+2K-H"	76.91904
"1084512"	299.00824	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2K-H"	76.91904
"144454"	261.052358	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"2M+2K"	77.926316
"581478"	372.096958	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"3M+2K"	77.926316
"1069241"	150.007758	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2K"	77.926316
"1100881"	301.022792	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2K+H"	78.933592
"1336296"	301.110407	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+DMSO+H"	79.021207
"1006404"	305.149576	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2ACN+H"	83.060376
"1525626"	306.143208	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+IsoProp+Na+H"	84.054008
"991952"	153.078426	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+2ACN+2H"	84.067652
"1588765"	307.057828	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+K+HCOOH"	84.968628
"1417953"	337.089338	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+H+CF3COOH"	115.000138
"1156629"	173.591701	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+3ACN+2H"	125.094202
"1703992"	354.115885	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+NH4+CF3COOH"	132.026685
"1640737"	359.07128	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+Na+CF3COOH"	136.98208
"1578575"	375.04522	"C14175"	"Diethyl phthalate;Diethyl 12-benzenedicarboxylate"	"C12H14O4"	"222.0892"	"M+K+CF3COOH"	152.95602
"807849"	405.7978	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M"	0
"980289"	386.77941	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-H2O-H"	-19.01839
"72906"	269.524590666667	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M-3H"	-3.021828
"509186"	404.790524	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M-3H"	-3.021828
"882613"	134.258657333333	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-3H"	-3.021828
"104"	404.790524	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M-2H"	-2.014552
"440108"	607.689424	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M-2H"	-2.014552
"819646"	201.891624	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-2H"	-2.014552
"80730"	810.588324	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M-H"	-1.007276
"520287"	1216.386124	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M-H"	-1.007276
"898452"	404.790524	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-H"	-1.007276
"48334"	827.614871	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M-2H+NH4"	16.019271
"489109"	1233.412671	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M-2H+NH4"	16.019271
"866182"	421.817071	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-2H+NH4"	16.019271
"31892"	832.570266	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M-2H+Na"	20.974666
"474374"	1238.368066	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M-2H+Na"	20.974666
"852910"	426.772466	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-2H+Na"	20.974666
"1621345"	426.772466	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Na-2H"	20.974666
"96779"	422.778863	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M-H+Cl"	33.962126
"536704"	625.677763	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M-H+Cl"	33.962126
"934239"	219.879963	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-H+Cl"	33.962126
"281548"	846.565002	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+Cl"	34.969402
"669596"	1252.362802	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+Cl"	34.969402
"1285280"	440.767202	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Cl"	34.969402
"25649"	848.544206	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M-2H+K"	36.948606
"464115"	1254.342006	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M-2H+K"	36.948606
"840825"	442.746406	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-2H+K"	36.948606
"1571207"	442.746406	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+K-2H"	36.948606
"958354"	450.795994	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-H+HCOOH"	44.998194
"376740"	856.593801	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+HCOOH-H"	44.998201
"360863"	870.609451	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+Hac-H"	59.013851
"1502040"	464.811651	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Hac-H"	59.013851
"964113"	472.777951	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-H+NaCOOH"	66.980151
"118489"	440.767202	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+2Cl"	69.938804
"555863"	643.666102	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+2Cl"	69.938804
"1025755"	237.868302	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2Cl"	69.938804
"1244238"	484.716685	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Br"	78.918885
"1307783"	486.772672	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Cl+HCOOH"	80.974872
"1320536"	508.754629	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Cl+NaCOOH"	102.956829
"912323"	518.783386	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M-H+CF3COOH"	112.985586
"1290853"	554.760064	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Cl+CF3COOH"	148.962264
"1368286"	370.785124	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H-2H2O"	-35.012676
"1384329"	388.7951	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H-H2O"	-17.0027
"289482"	812.602876	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+H"	1.007276
"686282"	1218.400676	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+H"	1.007276
"1361536"	406.805076	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H"	1.007276
"134427"	406.805076	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+2H"	2.014552
"576906"	609.703976	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+2H"	2.014552
"1040964"	203.906176	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2H"	2.014552
"218348"	271.539142666667	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+3H"	3.021828
"658637"	406.805076	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+3H"	3.021828
"1177860"	136.273209333333	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+3H"	3.021828
"438217"	829.629423	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+NH4"	18.033823
"799209"	1235.427223	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+NH4"	18.033823
"1695907"	423.831623	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+NH4"	18.033823
"340542"	415.3183495	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+H+NH4"	19.041099
"736972"	618.2172495	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+H+NH4"	19.041099
"1483502"	212.4194495	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H+NH4"	19.041099
"396350"	834.584818	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+Na"	22.989218
"763177"	1240.382618	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+Na"	22.989218
"1615650"	428.787018	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Na"	22.989218
"326780"	417.796047	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+H+Na"	23.996494
"719202"	620.694947	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+H+Na"	23.996494
"1469742"	214.897147	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H+Na"	23.996494
"1062985"	143.600523333333	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2H+Na"	25.00377
"1265756"	438.831286	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+CH3OH+H"	33.033486
"384331"	850.558758	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+K"	38.963158
"743139"	1256.356558	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+K"	38.963158
"1544102"	444.760958	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+K"	38.963158
"303101"	425.783017	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+H+K"	39.970434
"695887"	628.681917	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+H+K"	39.970434
"1451894"	222.884117	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H+K"	39.970434
"243784"	853.629426	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+ACN+H"	42.033826
"1215760"	447.831626	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+ACN+H"	42.033826
"1202565"	224.419451	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+ACN+2H"	43.041102
"194703"	856.56676	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+2Na-H"	44.97116
"638272"	1262.36456	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+2Na-H"	44.97116
"1140684"	450.76896	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2Na-H"	44.97116
"183978"	428.787018	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+2Na"	45.978436
"624632"	631.685918	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+2Na"	45.978436
"1123762"	225.888118	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2Na"	45.978436
"1407291"	150.927837333333	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H+2Na"	46.985712
"1441591"	452.810546	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H+HCOOH"	47.012746
"228007"	433.82004	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+3H2O+2H"	56.04448
"1513883"	466.86259	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+IsoProp+H"	61.06479
"413567"	436.773988	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+Na+K"	61.952376
"774565"	639.672888	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+Na+K"	61.952376
"1671989"	233.875088	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Na+K"	61.952376
"257783"	875.611368	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+ACN+Na"	64.015768
"1229032"	469.813568	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+ACN+Na"	64.015768
"1714636"	469.837093	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+NH4+HCOOH"	64.039293
"1180723"	158.255151333333	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+3Na"	68.967654
"1652440"	474.792488	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Na+HCOOH"	68.994688
"163311"	888.51464	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+2K-H"	76.91904
"601777"	1294.31244	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+2K-H"	76.91904
"1084829"	482.71684	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2K-H"	76.91904
"142619"	444.760958	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"2M+2K"	77.926316
"581409"	647.659858	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"3M+2K"	77.926316
"1068600"	241.862058	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2K"	77.926316
"1100384"	484.731392	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2K+H"	78.933592
"1336036"	484.819007	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+DMSO+H"	79.021207
"1005909"	488.858176	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2ACN+H"	83.060376
"1526709"	489.851808	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+IsoProp+Na+H"	84.054008
"993155"	244.932726	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+2ACN+2H"	84.067652
"1588875"	490.766428	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+K+HCOOH"	84.968628
"1419885"	520.797938	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+H+CF3COOH"	115.000138
"1155646"	265.446001	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+3ACN+2H"	125.094202
"1699727"	537.824485	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+NH4+CF3COOH"	132.026685
"1640847"	542.77988	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+Na+CF3COOH"	136.98208
"1578685"	558.75382	"C14176"	"Chlordane;1245671010-Octachloro-4789-tetrahydro-47-methyleneindane"	"C10H6Cl8"	"405.7978"	"M+K+CF3COOH"	152.95602
"807959"	270.0729	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M"	0
"980399"	251.05451	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H2O-H"	-19.01839
"70830"	179.041324	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-3H"	-3.021828
"509295"	269.065624	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-3H"	-3.021828
"882723"	89.017024	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-3H"	-3.021828
"4579"	269.065624	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H"	-2.014552
"440084"	404.102074	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H"	-2.014552
"819389"	134.029174	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H"	-2.014552
"79377"	539.138524	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-H"	-1.007276
"518687"	809.211424	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-H"	-1.007276
"897104"	269.065624	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H"	-1.007276
"47956"	556.165071	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H+NH4"	16.019271
"488001"	826.237971	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H+NH4"	16.019271
"865926"	286.092171	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H+NH4"	16.019271
"31881"	561.120466	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H+Na"	20.974666
"473512"	831.193366	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H+Na"	20.974666
"850100"	291.047566	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H+Na"	20.974666
"1620362"	291.047566	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na-2H"	20.974666
"96890"	287.053963	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-H+Cl"	33.962126
"536087"	422.090413	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-H+Cl"	33.962126
"933255"	152.017513	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+Cl"	33.962126
"279473"	575.115202	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Cl"	34.969402
"670800"	845.188102	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+Cl"	34.969402
"1284297"	305.042302	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl"	34.969402
"25759"	577.094406	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M-2H+K"	36.948606
"468599"	847.167306	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M-2H+K"	36.948606
"846402"	307.021506	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-2H+K"	36.948606
"1570991"	307.021506	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K-2H"	36.948606
"958022"	315.071094	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+HCOOH"	44.998194
"376688"	585.144001	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+HCOOH-H"	44.998201
"357693"	599.159651	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Hac-H"	59.013851
"1501057"	329.086751	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Hac-H"	59.013851
"969690"	337.053051	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+NaCOOH"	66.980151
"118599"	305.042302	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2Cl"	69.938804
"558158"	440.078752	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2Cl"	69.938804
"1028052"	170.005852	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2Cl"	69.938804
"1241594"	348.991785	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Br"	78.918885
"1305338"	351.047772	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl+HCOOH"	80.974872
"1320357"	373.029729	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl+NaCOOH"	102.956829
"911578"	383.058486	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M-H+CF3COOH"	112.985586
"1290599"	419.035164	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Cl+CF3COOH"	148.962264
"1367667"	235.060224	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H-2H2O"	-35.012676
"1387719"	253.0702	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H-H2O"	-17.0027
"289592"	541.153076	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H"	1.007276
"686392"	811.225976	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H"	1.007276
"1361646"	271.080176	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H"	1.007276
"134537"	271.080176	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2H"	2.014552
"571912"	406.116626	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2H"	2.014552
"1041074"	136.043726	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2H"	2.014552
"218944"	181.055876	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+3H"	3.021828
"657896"	271.080176	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+3H"	3.021828
"1177728"	91.031576	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+3H"	3.021828
"438446"	558.179623	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+NH4"	18.033823
"800048"	828.252523	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+NH4"	18.033823
"1693827"	288.106723	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+NH4"	18.033823
"341742"	279.5934495	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H+NH4"	19.041099
"733070"	414.6298995	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H+NH4"	19.041099
"1478508"	144.5569995	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+NH4"	19.041099
"394636"	563.135018	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Na"	22.989218
"757819"	833.207918	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+Na"	22.989218
"1611386"	293.062118	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na"	22.989218
"324701"	282.071147	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H+Na"	23.996494
"717124"	417.107597	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H+Na"	23.996494
"1469851"	147.034697	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+Na"	23.996494
"1060909"	98.35889	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2H+Na"	25.00377
"1264772"	303.106386	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+CH3OH+H"	33.033486
"381160"	579.108958	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+K"	38.963158
"740332"	849.181858	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+K"	38.963158
"1548585"	309.036058	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K"	38.963158
"304667"	290.058117	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+H+K"	39.970434
"698182"	425.094567	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+H+K"	39.970434
"1450909"	155.021667	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+K"	39.970434
"241705"	582.179626	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+ACN+H"	42.033826
"1215506"	312.106726	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+ACN+H"	42.033826
"1201580"	156.557001	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+ACN+2H"	43.041102
"194448"	585.11696	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2Na-H"	44.97116
"636196"	855.18986	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2Na-H"	44.97116
"1133867"	315.04406	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2Na-H"	44.97116
"180809"	293.062118	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2Na"	45.978436
"623649"	428.098568	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2Na"	45.978436
"1121685"	158.025668	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2Na"	45.978436
"1405212"	105.686204	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+2Na"	46.985712
"1434047"	317.085646	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+HCOOH"	47.012746
"222285"	298.09514	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+3H2O+2H"	56.04448
"1510345"	331.13769	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+IsoProp+H"	61.06479
"411855"	301.049088	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+Na+K"	61.952376
"777955"	436.085538	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+Na+K"	61.952376
"1673190"	166.012638	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na+K"	61.952376
"253883"	604.161568	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+ACN+Na"	64.015768
"1228413"	334.088668	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+ACN+Na"	64.015768
"1715114"	334.112193	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+NH4+HCOOH"	64.039293
"1180468"	113.013518	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+3Na"	68.967654
"1652548"	339.067588	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na+HCOOH"	68.994688
"161597"	617.06484	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2K-H"	76.91904
"600429"	887.13774	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2K-H"	76.91904
"1087127"	346.99194	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2K-H"	76.91904
"142486"	309.036058	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"2M+2K"	77.926316
"581548"	444.072508	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"3M+2K"	77.926316
"1068587"	173.999608	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2K"	77.926316
"1100007"	349.006492	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2K+H"	78.933592
"1335697"	349.094107	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+DMSO+H"	79.021207
"1006141"	353.133276	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2ACN+H"	83.060376
"1526819"	354.126908	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+IsoProp+Na+H"	84.054008
"992536"	177.070276	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+2ACN+2H"	84.067652
"1588621"	355.041528	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K+HCOOH"	84.968628
"1414888"	385.073038	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+H+CF3COOH"	115.000138
"1155756"	197.583551	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+3ACN+2H"	125.094202
"1700930"	402.099585	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+NH4+CF3COOH"	132.026685
"1639864"	407.05498	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+Na+CF3COOH"	136.98208
"1578795"	423.02892	"C14177"	"Lombricine;L-Lombricine"	"C6H15N4O6P"	"270.0729"	"M+K+CF3COOH"	152.95602
"809162"	350.0393	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M"	0
"981602"	331.02091	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H2O-H"	-19.01839
"76406"	232.352257333333	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-3H"	-3.021828
"513777"	349.032024	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-3H"	-3.021828
"887208"	115.672490666667	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-3H"	-3.021828
"7970"	349.032024	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H"	-2.014552
"445341"	524.051674	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H"	-2.014552
"818769"	174.012374	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H"	-2.014552
"80948"	699.071324	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-H"	-1.007276
"520140"	1049.110624	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-H"	-1.007276
"897581"	349.032024	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H"	-1.007276
"50496"	716.097871	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H+NH4"	16.019271
"488233"	1066.137171	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H+NH4"	16.019271
"867859"	366.058571	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H+NH4"	16.019271
"31992"	721.053266	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H+Na"	20.974666
"472283"	1071.092566	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H+Na"	20.974666
"852032"	371.013966	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H+Na"	20.974666
"1620471"	371.013966	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na-2H"	20.974666
"98457"	367.020363	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-H+Cl"	33.962126
"535468"	542.040013	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-H+Cl"	33.962126
"931178"	192.000713	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+Cl"	33.962126
"279583"	735.048002	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Cl"	34.969402
"670910"	1085.087302	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+Cl"	34.969402
"1283314"	385.008702	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl"	34.969402
"22589"	737.027206	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M-2H+K"	36.948606
"467616"	1087.066506	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M-2H+K"	36.948606
"843232"	386.987906	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-2H+K"	36.948606
"1571102"	386.987906	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K-2H"	36.948606
"958479"	395.037494	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+HCOOH"	44.998194
"376352"	745.076801	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+HCOOH-H"	44.998201
"359990"	759.092451	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Hac-H"	59.013851
"1501167"	409.053151	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Hac-H"	59.013851
"968706"	417.019451	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+NaCOOH"	66.980151
"117616"	385.008702	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2Cl"	69.938804
"557174"	560.028352	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2Cl"	69.938804
"1028162"	209.989052	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2Cl"	69.938804
"1241460"	428.958185	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Br"	78.918885
"1305084"	431.014172	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl+HCOOH"	80.974872
"1320107"	452.996129	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl+NaCOOH"	102.956829
"911404"	463.024886	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M-H+CF3COOH"	112.985586
"1291075"	499.001564	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Cl+CF3COOH"	148.962264
"1370329"	315.026624	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H-2H2O"	-35.012676
"1384546"	333.0366	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H-H2O"	-17.0027
"290795"	701.085876	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H"	1.007276
"682129"	1051.125176	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H"	1.007276
"1360663"	351.046576	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H"	1.007276
"135740"	351.046576	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2H"	2.014552
"570926"	526.066226	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2H"	2.014552
"1040818"	176.026926	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2H"	2.014552
"217109"	234.366809333333	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+3H"	3.021828
"655211"	351.046576	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+3H"	3.021828
"1176621"	117.687042666667	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+3H"	3.021828
"438436"	718.112423	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+NH4"	18.033823
"797970"	1068.151723	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+NH4"	18.033823
"1691750"	368.073123	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+NH4"	18.033823
"340759"	359.5598495	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H+NH4"	19.041099
"732086"	534.5794995	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H+NH4"	19.041099
"1480075"	184.5401995	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+NH4"	19.041099
"398390"	723.067818	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Na"	22.989218
"757929"	1073.107118	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+Na"	22.989218
"1613681"	373.028518	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na"	22.989218
"323718"	362.037547	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H+Na"	23.996494
"716139"	537.057197	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H+Na"	23.996494
"1469958"	187.017897	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+Na"	23.996494
"1061016"	125.014356666667	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2H+Na"	25.00377
"1259413"	383.072786	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+CH3OH+H"	33.033486
"381270"	739.041758	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+K"	38.963158
"739470"	1089.081058	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+K"	38.963158
"1543228"	389.002458	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K"	38.963158
"301497"	370.024517	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+H+K"	39.970434
"693918"	545.044167	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+H+K"	39.970434
"1447739"	195.004867	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+K"	39.970434
"239993"	742.112426	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+ACN+H"	42.033826
"1211968"	392.073126	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+ACN+H"	42.033826
"1198408"	196.540201	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+ACN+2H"	43.041102
"190547"	745.04976	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2Na-H"	44.97116
"630470"	1095.08906	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2Na-H"	44.97116
"1134707"	395.01046	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2Na-H"	44.97116
"184198"	373.028518	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2Na"	45.978436
"625096"	548.048168	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2Na"	45.978436
"1120702"	198.008868	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2Na"	45.978436
"1406416"	132.341670666667	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+2Na"	46.985712
"1436344"	397.052046	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+HCOOH"	47.012746
"224947"	378.06154	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+3H2O+2H"	56.04448
"1514103"	411.10409	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+IsoProp+H"	61.06479
"414881"	381.015488	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+Na+K"	61.952376
"778065"	556.035138	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+Na+K"	61.952376
"1676581"	205.995838	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na+K"	61.952376
"255450"	764.094368	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+ACN+Na"	64.015768
"1228523"	414.055068	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+ACN+Na"	64.015768
"1715588"	414.078593	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+NH4+HCOOH"	64.039293
"1180578"	139.668984666667	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+3Na"	68.967654
"1651199"	419.033988	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na+HCOOH"	68.994688
"162438"	776.99764	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2K-H"	76.91904
"601997"	1127.03694	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2K-H"	76.91904
"1085170"	426.95834	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2K-H"	76.91904
"142109"	389.002458	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"2M+2K"	77.926316
"581700"	564.022108	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"3M+2K"	77.926316
"1068972"	213.982808	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2K"	77.926316
"1100197"	428.972892	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2K+H"	78.933592
"1338085"	429.060507	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+DMSO+H"	79.021207
"1008801"	433.099676	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2ACN+H"	83.060376
"1526929"	434.093308	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+IsoProp+Na+H"	84.054008
"993375"	217.053476	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+2ACN+2H"	84.067652
"1590068"	435.007928	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K+HCOOH"	84.968628
"1415121"	465.039438	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+H+CF3COOH"	115.000138
"1158052"	237.566751	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+3ACN+2H"	125.094202
"1698854"	482.065985	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+NH4+CF3COOH"	132.026685
"1639974"	487.02138	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+Na+CF3COOH"	136.98208
"1578905"	502.99532	"C14178"	"N-Phospholombricine;N-Phospho-L-lombricine"	"C6H16N4O9P2"	"350.0393"	"M+K+CF3COOH"	152.95602
"808179"	139.9779	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M"	0
"977338"	120.95951	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-H2O-H"	-19.01839
"73236"	92.311324	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M-3H"	-3.021828
"511701"	138.970624	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M-3H"	-3.021828
"884037"	45.652024	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-3H"	-3.021828
"5893"	138.970624	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M-2H"	-2.014552
"445451"	208.959574	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M-2H"	-2.014552
"821066"	68.981674	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-2H"	-2.014552
"81422"	278.948524	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M-H"	-1.007276
"520855"	418.926424	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M-H"	-1.007276
"899146"	138.970624	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-H"	-1.007276
"52794"	295.975071	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M-2H+NH4"	16.019271
"489315"	435.952971	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M-2H+NH4"	16.019271
"866997"	155.997171	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-2H+NH4"	16.019271
"32952"	300.930466	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M-2H+Na"	20.974666
"473976"	440.908366	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M-2H+Na"	20.974666
"852871"	160.952566	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-2H+Na"	20.974666
"1620946"	160.952566	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Na-2H"	20.974666
"100755"	156.958963	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M-H+Cl"	33.962126
"535945"	226.947913	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M-H+Cl"	33.962126
"932382"	86.970013	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-H+Cl"	33.962126
"278600"	314.925202	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+Cl"	34.969402
"668834"	454.903102	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+Cl"	34.969402
"1286583"	174.947302	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Cl"	34.969402
"24886"	316.904406	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M-2H+K"	36.948606
"464446"	456.882306	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M-2H+K"	36.948606
"843342"	176.926506	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-2H+K"	36.948606
"1570847"	176.926506	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+K-2H"	36.948606
"958271"	184.976094	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-H+HCOOH"	44.998194
"376467"	324.954001	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+HCOOH-H"	44.998201
"360100"	338.969651	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+Hac-H"	59.013851
"1504557"	198.991751	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Hac-H"	59.013851
"974004"	206.958051	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-H+NaCOOH"	66.980151
"117726"	174.947302	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+2Cl"	69.938804
"561659"	244.936252	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+2Cl"	69.938804
"1027179"	104.958352	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2Cl"	69.938804
"1243476"	218.896785	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Br"	78.918885
"1309204"	220.952772	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Cl+HCOOH"	80.974872
"1321232"	242.934729	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Cl+NaCOOH"	102.956829
"912409"	252.963486	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M-H+CF3COOH"	112.985586
"1291185"	288.940164	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Cl+CF3COOH"	148.962264
"1368618"	104.965224	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H-2H2O"	-35.012676
"1385751"	122.9752	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H-H2O"	-17.0027
"293092"	280.963076	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+H"	1.007276
"680052"	420.940976	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+H"	1.007276
"1360773"	140.985176	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H"	1.007276
"134757"	140.985176	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+2H"	2.014552
"571035"	210.974126	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+2H"	2.014552
"1040200"	70.996226	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2H"	2.014552
"217219"	94.325876	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+3H"	3.021828
"655685"	140.985176	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+3H"	3.021828
"1176729"	47.666576	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+3H"	3.021828
"438911"	297.989623	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+NH4"	18.033823
"797351"	437.967523	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+NH4"	18.033823
"1689307"	158.011723	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+NH4"	18.033823
"338678"	149.4984495	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+H+NH4"	19.041099
"732196"	219.4873995	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+H+NH4"	19.041099
"1482009"	79.5094995	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H+NH4"	19.041099
"395585"	302.945018	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+Na"	22.989218
"760226"	442.922918	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+Na"	22.989218
"1613428"	162.967118	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Na"	22.989218
"324922"	151.976147	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+H+Na"	23.996494
"715157"	221.965097	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+H+Na"	23.996494
"1470068"	81.987197	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H+Na"	23.996494
"1058939"	54.99389	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2H+Na"	25.00377
"1260616"	173.011386	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+CH3OH+H"	33.033486
"378828"	318.918958	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+K"	38.963158
"739822"	458.896858	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+K"	38.963158
"1544432"	178.941058	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+K"	38.963158
"303793"	159.963117	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+H+K"	39.970434
"695121"	229.952067	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+H+K"	39.970434
"1450036"	89.974167	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H+K"	39.970434
"240832"	321.989626	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+ACN+H"	42.033826
"1211714"	182.011726	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+ACN+H"	42.033826
"1199611"	91.509501	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+ACN+2H"	43.041102
"192844"	324.92696	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+2Na-H"	44.97116
"631673"	464.90486	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+2Na-H"	44.97116
"1134817"	184.94906	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2Na-H"	44.97116
"184308"	162.967118	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+2Na"	45.978436
"624962"	232.956068	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+2Na"	45.978436
"1120812"	92.978168	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2Na"	45.978436
"1406526"	62.321204	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H+2Na"	46.985712
"1439733"	186.990646	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H+HCOOH"	47.012746
"222870"	168.00014	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+3H2O+2H"	56.04448
"1517493"	201.04269	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+IsoProp+H"	61.06479
"414991"	170.954088	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+Na+K"	61.952376
"779268"	240.943038	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+Na+K"	61.952376
"1673411"	100.965138	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Na+K"	61.952376
"253373"	343.971568	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+ACN+Na"	64.015768
"1227541"	203.993668	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+ACN+Na"	64.015768
"1715334"	204.017193	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+NH4+HCOOH"	64.039293
"1180685"	69.648518	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+3Na"	68.967654
"1650332"	208.972588	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Na+HCOOH"	68.994688
"159265"	356.87484	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+2K-H"	76.91904
"597487"	496.85274	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+2K-H"	76.91904
"1085523"	216.89694	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2K-H"	76.91904
"141451"	178.941058	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"2M+2K"	77.926316
"582064"	248.930008	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"3M+2K"	77.926316
"1068607"	108.952108	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2K"	77.926316
"1100020"	218.911492	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2K+H"	78.933592
"1336858"	218.999107	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+DMSO+H"	79.021207
"1007818"	223.038276	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2ACN+H"	83.060376
"1527039"	224.031908	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+IsoProp+Na+H"	84.054008
"991662"	112.022776	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+2ACN+2H"	84.067652
"1589449"	224.946528	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+K+HCOOH"	84.968628
"1415110"	254.978038	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+H+CF3COOH"	115.000138
"1158162"	132.536051	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+3ACN+2H"	125.094202
"1698964"	272.004585	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+NH4+CF3COOH"	132.026685
"1637897"	276.95998	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+Na+CF3COOH"	136.98208
"1572454"	292.93392	"C14179"	"Sulfoacetate;Sulfoacetic acid"	"C2H4O5S"	"139.9779"	"M+K+CF3COOH"	152.95602
"815580"	337.0944	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M"	0
"977448"	318.07601	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-H2O-H"	-19.01839
"76626"	223.722324	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M-3H"	-3.021828
"509625"	336.087124	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M-3H"	-3.021828
"889616"	111.357524	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-3H"	-3.021828
"12563"	336.087124	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M-2H"	-2.014552
"446658"	504.634324	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M-2H"	-2.014552
"823364"	167.539924	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-2H"	-2.014552
"86637"	673.181524	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M-H"	-1.007276
"522917"	1010.275924	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M-H"	-1.007276
"899623"	336.087124	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-H"	-1.007276
"54363"	690.208071	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M-2H+NH4"	16.019271
"490276"	1027.302471	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M-2H+NH4"	16.019271
"867352"	353.113671	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-2H+NH4"	16.019271
"32334"	695.163466	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M-2H+Na"	20.974666
"480284"	1032.257866	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M-2H+Na"	20.974666
"854807"	358.069066	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-2H+Na"	20.974666
"1625067"	358.069066	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Na-2H"	20.974666
"99773"	354.075463	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M-H+Cl"	33.962126
"539332"	522.622663	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M-H+Cl"	33.962126
"937960"	185.528263	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-H+Cl"	33.962126
"277614"	709.158202	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+Cl"	34.969402
"668942"	1046.252602	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+Cl"	34.969402
"1279159"	372.063802	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Cl"	34.969402
"20621"	711.137406	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M-2H+K"	36.948606
"461274"	1048.231806	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M-2H+K"	36.948606
"839076"	374.043006	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-2H+K"	36.948606
"1570593"	374.043006	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+K-2H"	36.948606
"958329"	382.092594	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-H+HCOOH"	44.998194
"376855"	719.187001	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+HCOOH-H"	44.998201
"360210"	733.202651	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+Hac-H"	59.013851
"1504667"	396.108251	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Hac-H"	59.013851
"974150"	404.074551	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-H+NaCOOH"	66.980151
"120022"	372.063802	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+2Cl"	69.938804
"562498"	540.611002	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+2Cl"	69.938804
"1028382"	203.516602	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2Cl"	69.938804
"1245772"	416.013285	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Br"	78.918885
"1313687"	418.069272	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Cl+HCOOH"	80.974872
"1323529"	440.051229	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Cl+NaCOOH"	102.956829
"913494"	450.079986	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M-H+CF3COOH"	112.985586
"1291295"	486.056664	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Cl+CF3COOH"	148.962264
"1372737"	302.081724	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H-2H2O"	-35.012676
"1390234"	320.0917	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H-H2O"	-17.0027
"296483"	675.196076	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+H"	1.007276
"682350"	1012.290476	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+H"	1.007276
"1360884"	338.101676	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H"	1.007276
"129399"	338.101676	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+2H"	2.014552
"567866"	506.648876	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+2H"	2.014552
"1040310"	169.554476	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2H"	2.014552
"213318"	225.736876	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+3H"	3.021828
"650692"	338.101676	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+3H"	3.021828
"1172100"	113.372076	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+3H"	3.021828
"435738"	692.222623	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+NH4"	18.033823
"793088"	1029.317023	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+NH4"	18.033823
"1692699"	355.128223	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+NH4"	18.033823
"335509"	346.6149495	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+H+NH4"	19.041099
"735222"	515.1621495	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+H+NH4"	19.041099
"1477867"	178.0677495	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H+NH4"	19.041099
"394237"	697.178018	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+Na"	22.989218
"756692"	1034.272418	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+Na"	22.989218
"1611716"	360.083618	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Na"	22.989218
"325763"	349.092647	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+H+Na"	23.996494
"718546"	517.639847	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+H+Na"	23.996494
"1467991"	180.545447	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H+Na"	23.996494
"1059049"	120.69939	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2H+Na"	25.00377
"1262913"	370.127886	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+CH3OH+H"	33.033486
"378574"	713.151958	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+K"	38.963158
"739932"	1050.246358	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+K"	38.963158
"1542721"	376.057558	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+K"	38.963158
"303906"	357.079617	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+H+K"	39.970434
"695232"	525.626817	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+H+K"	39.970434
"1447592"	188.532417	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H+K"	39.970434
"239847"	716.222626	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+ACN+H"	42.033826
"1212918"	379.128226	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+ACN+H"	42.033826
"1200814"	190.067751	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+ACN+2H"	43.041102
"195871"	719.15996	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+2Na-H"	44.97116
"632150"	1056.25436	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+2Na-H"	44.97116
"1134928"	382.06556	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2Na-H"	44.97116
"185511"	360.083618	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+2Na"	45.978436
"620697"	528.630818	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+2Na"	45.978436
"1118735"	191.536418	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2Na"	45.978436
"1400076"	128.026704	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H+2Na"	46.985712
"1442032"	384.107146	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H+HCOOH"	47.012746
"227354"	365.11664	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+3H2O+2H"	56.04448
"1511043"	398.15919	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+IsoProp+H"	61.06479
"418381"	368.070588	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+Na+K"	61.952376
"779378"	536.617788	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+Na+K"	61.952376
"1673521"	199.523388	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Na+K"	61.952376
"256764"	738.204568	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+ACN+Na"	64.015768
"1230567"	401.110168	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+ACN+Na"	64.015768
"1715080"	401.133693	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+NH4+HCOOH"	64.039293
"1180429"	135.354018	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+3Na"	68.967654
"1650366"	406.089088	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Na+HCOOH"	68.994688
"160467"	751.10784	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+2K-H"	76.91904
"600028"	1088.20224	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+2K-H"	76.91904
"1084779"	414.01344	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2K-H"	76.91904
"142082"	376.057558	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"2M+2K"	77.926316
"583106"	544.604758	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"3M+2K"	77.926316
"1068666"	207.510358	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2K"	77.926316
"1100828"	416.027992	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2K+H"	78.933592
"1338308"	416.115607	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+DMSO+H"	79.021207
"1009024"	420.154776	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2ACN+H"	83.060376
"1527149"	421.148408	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+IsoProp+Na+H"	84.054008
"992501"	210.581026	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+2ACN+2H"	84.067652
"1592475"	422.063028	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+K+HCOOH"	84.968628
"1416313"	452.094538	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+H+CF3COOH"	115.000138
"1157179"	231.094301	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+3ACN+2H"	125.094202
"1702356"	469.121085	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+NH4+CF3COOH"	132.026685
"1640194"	474.07648	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+Na+CF3COOH"	136.98208
"1572198"	490.05042	"C14180"	"S-(Hydroxymethyl)glutathione"	"C11H19N3O7S"	"337.0944"	"M+K+CF3COOH"	152.95602
"816420"	213.9871	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M"	0
"980839"	194.96871	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-H2O-H"	-19.01839
"75643"	141.650790666667	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M-3H"	-3.021828
"510829"	212.979824	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M-3H"	-3.021828
"882436"	70.3217573333333	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-3H"	-3.021828
"5021"	212.979824	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M-2H"	-2.014552
"446767"	319.973374	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M-2H"	-2.014552
"823473"	105.986274	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-2H"	-2.014552
"83470"	426.966924	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M-H"	-1.007276
"520840"	640.954024	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M-H"	-1.007276
"897906"	212.979824	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-H"	-1.007276
"49731"	443.993471	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M-2H+NH4"	16.019271
"489659"	657.980571	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M-2H+NH4"	16.019271
"865151"	230.006371	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-2H+NH4"	16.019271
"32809"	448.948866	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M-2H+Na"	20.974666
"476749"	662.935966	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M-2H+Na"	20.974666
"854187"	234.961766	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-2H+Na"	20.974666
"1619585"	234.961766	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Na-2H"	20.974666
"97695"	230.968163	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M-H+Cl"	33.962126
"537255"	337.961713	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M-H+Cl"	33.962126
"940256"	123.974613	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-H+Cl"	33.962126
"279912"	462.943602	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+Cl"	34.969402
"669052"	676.930702	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+Cl"	34.969402
"1279269"	248.956502	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Cl"	34.969402
"20731"	464.922806	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M-2H+K"	36.948606
"462477"	678.909906	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M-2H+K"	36.948606
"841372"	250.935706	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-2H+K"	36.948606
"1571287"	250.935706	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+K-2H"	36.948606
"958478"	258.985294	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-H+HCOOH"	44.998194
"376568"	472.972401	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+HCOOH-H"	44.998201
"359956"	486.988051	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+Hac-H"	59.013851
"1504777"	273.000951	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Hac-H"	59.013851
"973056"	280.967251	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-H+NaCOOH"	66.980151
"119039"	248.956502	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+2Cl"	69.938804
"561879"	355.950052	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+2Cl"	69.938804
"1036754"	141.962952	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2Cl"	69.938804
"1246975"	292.905985	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Br"	78.918885
"1314890"	294.961972	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Cl+HCOOH"	80.974872
"1322545"	316.943929	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Cl+NaCOOH"	102.956829
"912510"	326.972686	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M-H+CF3COOH"	112.985586
"1290675"	362.949364	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Cl+CF3COOH"	148.962264
"1369566"	178.974424	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H-2H2O"	-35.012676
"1386334"	196.9844	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H-H2O"	-17.0027
"290031"	428.981476	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+H"	1.007276
"685741"	642.968576	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+H"	1.007276
"1358809"	214.994376	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H"	1.007276
"129511"	214.994376	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+2H"	2.014552
"569069"	321.987926	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+2H"	2.014552
"1040420"	108.000826	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2H"	2.014552
"213428"	143.665342666667	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+3H"	3.021828
"650802"	214.994376	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+3H"	3.021828
"1174034"	72.3363093333333	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+3H"	3.021828
"433296"	446.008023	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+NH4"	18.033823
"793198"	659.995123	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+NH4"	18.033823
"1688435"	232.020923	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+NH4"	18.033823
"333432"	223.5076495	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+H+NH4"	19.041099
"728040"	330.5011995	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+H+NH4"	19.041099
"1484046"	116.5140995	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H+NH4"	19.041099
"403819"	450.963418	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+Na"	22.989218
"756802"	664.950518	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+Na"	22.989218
"1611827"	236.976318	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Na"	22.989218
"319676"	225.985347	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+H+Na"	23.996494
"712095"	332.978897	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+H+Na"	23.996494
"1464821"	118.991797	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H+Na"	23.996494
"1059159"	79.6636233333333	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2H+Na"	25.00377
"1260836"	247.020586	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+CH3OH+H"	33.033486
"377707"	466.937358	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+K"	38.963158
"739673"	680.924458	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+K"	38.963158
"1545747"	252.950258	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+K"	38.963158
"304380"	233.972317	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+H+K"	39.970434
"693884"	340.965867	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+H+K"	39.970434
"1446971"	126.978767	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H+K"	39.970434
"243239"	470.008026	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+ACN+H"	42.033826
"1215945"	256.020926	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+ACN+H"	42.033826
"1200924"	128.514101	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+ACN+2H"	43.041102
"195981"	472.94536	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+2Na-H"	44.97116
"630434"	686.93246	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+2Na-H"	44.97116
"1136859"	258.95826	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2Na-H"	44.97116
"186714"	236.976318	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+2Na"	45.978436
"622995"	343.969868	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+2Na"	45.978436
"1122125"	129.982768	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2Na"	45.978436
"1405653"	86.9909373333333	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H+2Na"	46.985712
"1442141"	260.999846	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H+HCOOH"	47.012746
"232928"	242.00934	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+3H2O+2H"	56.04448
"1512610"	275.05189	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+IsoProp+H"	61.06479
"417398"	244.963288	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+Na+K"	61.952376
"780581"	351.956838	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+Na+K"	61.952376
"1673631"	137.969738	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Na+K"	61.952376
"253594"	491.989968	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+ACN+Na"	64.015768
"1228125"	278.002868	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+ACN+Na"	64.015768
"1717376"	278.026393	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+NH4+HCOOH"	64.039293
"1179814"	94.3182513333333	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+3Na"	68.967654
"1651529"	282.981788	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Na+HCOOH"	68.994688
"160577"	504.89324	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+2K-H"	76.91904
"597704"	718.88034	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+2K-H"	76.91904
"1085375"	290.90614	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2K-H"	76.91904
"142434"	252.950258	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"2M+2K"	77.926316
"586499"	359.943808	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"3M+2K"	77.926316
"1071008"	145.956708	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2K"	77.926316
"1102030"	292.920692	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2K+H"	78.933592
"1339511"	293.008307	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+DMSO+H"	79.021207
"1009133"	297.047476	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2ACN+H"	83.060376
"1533821"	298.041108	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+IsoProp+Na+H"	84.054008
"994800"	149.027376	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+2ACN+2H"	84.067652
"1592586"	298.955728	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+K+HCOOH"	84.968628
"1417152"	328.987238	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+H+CF3COOH"	115.000138
"1159475"	169.540651	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+3ACN+2H"	125.094202
"1703559"	346.013785	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+NH4+CF3COOH"	132.026685
"1646865"	350.96918	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+Na+CF3COOH"	136.98208
"1574861"	366.94312	"C14181"	"2-Benzothiazolesulfonamide"	"C7H6N2O2S2"	"213.9871"	"M+K+CF3COOH"	152.95602
"812884"	235.9925	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M"	0
"980949"	216.97411	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-H2O-H"	-19.01839
"74660"	156.321057333333	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M-3H"	-3.021828
"510939"	234.985224	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M-3H"	-3.021828
"880966"	77.6568906666667	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-3H"	-3.021828
"5131"	234.985224	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M-2H"	-2.014552
"445784"	352.981474	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M-2H"	-2.014552
"823583"	116.988974	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-2H"	-2.014552
"82487"	470.977724	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M-H"	-1.007276
"520585"	706.970224	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M-H"	-1.007276
"897290"	234.985224	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-H"	-1.007276
"49478"	488.004271	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M-2H+NH4"	16.019271
"487947"	723.996771	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M-2H+NH4"	16.019271
"866478"	252.011771	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-2H+NH4"	16.019271
"31947"	492.959666	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M-2H+Na"	20.974666
"476131"	728.952166	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M-2H+Na"	20.974666
"853204"	256.967166	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-2H+Na"	20.974666
"1618515"	256.967166	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Na-2H"	20.974666
"97807"	252.973563	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M-H+Cl"	33.962126
"534406"	370.969813	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M-H+Cl"	33.962126
"935991"	134.977313	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-H+Cl"	33.962126
"275646"	506.954402	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+Cl"	34.969402
"665881"	742.946902	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+Cl"	34.969402
"1279377"	270.961902	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Cl"	34.969402
"24121"	508.933606	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M-2H+K"	36.948606
"463680"	744.926106	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M-2H+K"	36.948606
"839295"	272.941106	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-2H+K"	36.948606
"1571211"	272.941106	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+K-2H"	36.948606
"957235"	280.990694	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-H+HCOOH"	44.998194
"375449"	516.983201	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+HCOOH-H"	44.998201
"360189"	530.998851	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+Hac-H"	59.013851
"1507204"	295.006351	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Hac-H"	59.013851
"972924"	302.972651	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-H+NaCOOH"	66.980151
"122429"	270.961902	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+2Cl"	69.938804
"565559"	388.958152	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+2Cl"	69.938804
"1036911"	152.965652	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2Cl"	69.938804
"1250366"	314.911385	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Br"	78.918885
"1315000"	316.967372	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Cl+HCOOH"	80.974872
"1322655"	338.949329	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Cl+NaCOOH"	102.956829
"912497"	348.978086	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M-H+CF3COOH"	112.985586
"1290422"	384.954764	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Cl+CF3COOH"	148.962264
"1369676"	200.979824	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H-2H2O"	-35.012676
"1386080"	218.9898	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H-H2O"	-17.0027
"290141"	472.992276	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+H"	1.007276
"688033"	708.984776	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+H"	1.007276
"1362928"	236.999776	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H"	1.007276
"131079"	236.999776	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+2H"	2.014552
"570272"	354.996026	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+2H"	2.014552
"1041259"	119.003526	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2H"	2.014552
"214632"	158.335609333333	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+3H"	3.021828
"650912"	236.999776	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+3H"	3.021828
"1174143"	79.6714426666667	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+3H"	3.021828
"432311"	490.018823	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+NH4"	18.033823
"793308"	726.011323	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+NH4"	18.033823
"1690368"	254.026323	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+NH4"	18.033823
"339009"	245.5130495	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+H+NH4"	19.041099
"732160"	363.5092995	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+H+NH4"	19.041099
"1486344"	127.5167995	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H+NH4"	19.041099
"400650"	494.974218	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+Na"	22.989218
"760552"	730.966718	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+Na"	22.989218
"1608651"	258.981718	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Na"	22.989218
"321968"	247.990747	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+H+Na"	23.996494
"711111"	365.986997	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+H+Na"	23.996494
"1464930"	129.994497	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H+Na"	23.996494
"1053558"	86.9987566666667	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2H+Na"	25.00377
"1258759"	269.025986	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+CH3OH+H"	33.033486
"377162"	510.948158	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+K"	38.963158
"738762"	746.940658	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+K"	38.963158
"1545858"	274.955658	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+K"	38.963158
"303397"	255.977717	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+H+K"	39.970434
"693631"	373.973967	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+H+K"	39.970434
"1448178"	137.981467	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H+K"	39.970434
"242256"	514.018826	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+ACN+H"	42.033826
"1214963"	278.026326	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+ACN+H"	42.033826
"1199941"	139.516801	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+ACN+2H"	43.041102
"194998"	516.95616	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+2Na-H"	44.97116
"631638"	752.94866	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+2Na-H"	44.97116
"1134418"	280.96366	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2Na-H"	44.97116
"183545"	258.981718	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+2Na"	45.978436
"624199"	376.977968	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+2Na"	45.978436
"1122235"	140.985468	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2Na"	45.978436
"1410137"	94.3260706666667	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H+2Na"	46.985712
"1438972"	283.005246	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H+HCOOH"	47.012746
"229759"	264.01474	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+3H2O+2H"	56.04448
"1512356"	297.05729	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+IsoProp+H"	61.06479
"412405"	266.968688	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+Na+K"	61.952376
"777411"	384.964938	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+Na+K"	61.952376
"1673741"	148.972438	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Na+K"	61.952376
"255891"	536.000768	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+ACN+Na"	64.015768
"1231881"	300.008268	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+ACN+Na"	64.015768
"1719673"	300.031793	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+NH4+HCOOH"	64.039293
"1180653"	101.653384666667	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+3Na"	68.967654
"1652733"	304.987188	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Na+HCOOH"	68.994688
"158133"	548.90404	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+2K-H"	76.91904
"598544"	784.89654	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+2K-H"	76.91904
"1084345"	312.91154	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2K-H"	76.91904
"141691"	274.955658	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"2M+2K"	77.926316
"582711"	392.951908	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"3M+2K"	77.926316
"1069536"	156.959408	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2K"	77.926316
"1101042"	314.926092	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2K+H"	78.933592
"1339621"	315.013707	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+DMSO+H"	79.021207
"1010698"	319.052876	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2ACN+H"	83.060376
"1530651"	320.046508	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+IsoProp+Na+H"	84.054008
"994910"	160.030076	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+2ACN+2H"	84.067652
"1592696"	320.961128	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+K+HCOOH"	84.968628
"1417262"	350.992638	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+H+CF3COOH"	115.000138
"1158492"	180.543351	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+3ACN+2H"	125.094202
"1703669"	368.019185	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+NH4+CF3COOH"	132.026685
"1646975"	372.97458	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+Na+CF3COOH"	136.98208
"1574971"	388.94852	"C14182"	"13-Benzenedisulfonamide;m-Benzenedisulfonamide"	"C6H8N2O4S2"	"235.9925"	"M+K+CF3COOH"	152.95602
"815546"	306.1831	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M"	0
"983246"	287.16471	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-H2O-H"	-19.01839
"74770"	203.114790666667	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M-3H"	-3.021828
"513236"	305.175824	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M-3H"	-3.021828
"884479"	101.053757333333	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-3H"	-3.021828
"5241"	305.175824	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M-2H"	-2.014552
"445893"	458.267374	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M-2H"	-2.014552
"823693"	152.084274	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-2H"	-2.014552
"81504"	611.358924	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M-H"	-1.007276
"522152"	917.542024	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M-H"	-1.007276
"899224"	305.175824	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-H"	-1.007276
"50684"	628.385471	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M-2H+NH4"	16.019271
"489879"	934.568571	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M-2H+NH4"	16.019271
"870599"	322.202371	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-2H+NH4"	16.019271
"32664"	633.340866	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M-2H+Na"	20.974666
"474784"	939.523966	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M-2H+Na"	20.974666
"852586"	327.157766	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-2H+Na"	20.974666
"1621023"	327.157766	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Na-2H"	20.974666
"99740"	323.164163	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M-H+Cl"	33.962126
"535411"	476.255713	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M-H+Cl"	33.962126
"928446"	170.072613	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-H+Cl"	33.962126
"275756"	647.335602	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+Cl"	34.969402
"665991"	953.518702	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+Cl"	34.969402
"1277301"	341.152502	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Cl"	34.969402
"24231"	649.314806	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M-2H+K"	36.948606
"463790"	955.497906	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M-2H+K"	36.948606
"839405"	343.131706	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-2H+K"	36.948606
"1569461"	343.131706	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+K-2H"	36.948606
"955155"	351.181294	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-H+HCOOH"	44.998194
"374102"	657.364401	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+HCOOH-H"	44.998201
"360666"	671.380051	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+Hac-H"	59.013851
"1507798"	365.196951	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Hac-H"	59.013851
"973519"	373.163251	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-H+NaCOOH"	66.980151
"124726"	341.152502	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+2Cl"	69.938804
"565506"	494.244052	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+2Cl"	69.938804
"1035271"	188.060952	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2Cl"	69.938804
"1249383"	385.101985	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Br"	78.918885
"1314017"	387.157972	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Cl+HCOOH"	80.974872
"1327141"	409.139929	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Cl+NaCOOH"	102.956829
"912731"	419.168686	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M-H+CF3COOH"	112.985586
"1292719"	455.145364	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Cl+CF3COOH"	148.962264
"1369786"	271.170424	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H-2H2O"	-35.012676
"1388377"	289.1804	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H-H2O"	-17.0027
"290251"	613.373476	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+H"	1.007276
"687779"	919.556576	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+H"	1.007276
"1363398"	307.190376	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H"	1.007276
"131918"	307.190376	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+2H"	2.014552
"569289"	460.281926	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+2H"	2.014552
"1041369"	154.098826	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2H"	2.014552
"216930"	205.129342666667	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+3H"	3.021828
"653209"	307.190376	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+3H"	3.021828
"1173889"	103.068309333333	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+3H"	3.021828
"435339"	630.400023	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+NH4"	18.033823
"792325"	936.583123	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+NH4"	18.033823
"1691571"	324.216923	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+NH4"	18.033823
"338026"	315.7036495	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+H+NH4"	19.041099
"734822"	468.7951995	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+H+NH4"	19.041099
"1487548"	162.6120995	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H+NH4"	19.041099
"405134"	635.355418	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+Na"	22.989218
"762849"	941.538518	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+Na"	22.989218
"1609855"	329.172318	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Na"	22.989218
"319892"	318.181347	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+H+Na"	23.996494
"712315"	471.272897	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+H+Na"	23.996494
"1463218"	165.089797	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H+Na"	23.996494
"1055370"	110.395623333333	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2H+Na"	25.00377
"1261056"	339.216586	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+CH3OH+H"	33.033486
"377186"	651.329358	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+K"	38.963158
"739289"	957.512458	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+K"	38.963158
"1544874"	345.146258	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+K"	38.963158
"303143"	326.168317	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+H+K"	39.970434
"693739"	479.259867	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+H+K"	39.970434
"1448652"	173.076767	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H+K"	39.970434
"237253"	654.400026	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+ACN+H"	42.033826
"1216167"	348.216926	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+ACN+H"	42.033826
"1196771"	174.612101	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+ACN+2H"	43.041102
"192920"	657.33736	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+2Na-H"	44.97116
"629196"	963.52046	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+2Na-H"	44.97116
"1134527"	351.15426	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2Na-H"	44.97116
"183290"	329.172318	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+2Na"	45.978436
"619935"	482.263868	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+2Na"	45.978436
"1124532"	176.080768	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2Na"	45.978436
"1400407"	117.722937333333	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H+2Na"	46.985712
"1431792"	353.195846	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H+HCOOH"	47.012746
"222215"	334.20534	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+3H2O+2H"	56.04448
"1509184"	367.24789	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+IsoProp+H"	61.06479
"409232"	337.159288	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+Na+K"	61.952376
"776428"	490.250838	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+Na+K"	61.952376
"1670571"	184.067738	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Na+K"	61.952376
"251782"	676.381968	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+ACN+Na"	64.015768
"1230168"	370.198868	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+ACN+Na"	64.015768
"1719784"	370.222393	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+NH4+HCOOH"	64.039293
"1180763"	125.050251333333	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+3Na"	68.967654
"1653207"	375.177788	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Na+HCOOH"	68.994688
"160797"	689.28524	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+2K-H"	76.91904
"598170"	995.46834	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+2K-H"	76.91904
"1084333"	383.10214	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2K-H"	76.91904
"141560"	345.146258	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"2M+2K"	77.926316
"582337"	498.237808	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"3M+2K"	77.926316
"1070133"	192.054708	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2K"	77.926316
"1100299"	385.116692	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2K+H"	78.933592
"1339731"	385.204307	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+DMSO+H"	79.021207
"1011538"	389.243476	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2ACN+H"	83.060376
"1529667"	390.237108	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+IsoProp+Na+H"	84.054008
"993926"	195.125376	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+2ACN+2H"	84.067652
"1593899"	391.151728	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+K+HCOOH"	84.968628
"1418465"	421.183238	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+H+CF3COOH"	115.000138
"1155322"	215.638651	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+3ACN+2H"	125.094202
"1709247"	438.209785	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+NH4+CF3COOH"	132.026685
"1647085"	443.16518	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+Na+CF3COOH"	136.98208
"1575081"	459.13912	"C14183"	"Compactin diol lactone;ML-236A"	"C18H26O4"	"306.1831"	"M+K+CF3COOH"	152.95602
"808729"	539.6262	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M"	0
"983356"	520.60781	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-H2O-H"	-19.01839
"72694"	358.743524	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M-3H"	-3.021828
"511160"	538.618924	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M-3H"	-3.021828
"880131"	178.868124	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-3H"	-3.021828
"1340"	538.618924	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M-2H"	-2.014552
"444910"	808.432024	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M-2H"	-2.014552
"818336"	268.805824	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-2H"	-2.014552
"80877"	1078.245124	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M-H"	-1.007276
"518859"	1617.871324	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M-H"	-1.007276
"897389"	538.618924	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-H"	-1.007276
"50794"	1095.271671	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M-2H+NH4"	16.019271
"489260"	1634.897871	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M-2H+NH4"	16.019271
"865968"	555.645471	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-2H+NH4"	16.019271
"32651"	1100.227066	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M-2H+Na"	20.974666
"474893"	1639.853266	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M-2H+Na"	20.974666
"850872"	560.600866	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-2H+Na"	20.974666
"1621863"	560.600866	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Na-2H"	20.974666
"97663"	556.607263	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M-H+Cl"	33.962126
"540504"	826.420363	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M-H+Cl"	33.962126
"928556"	286.794163	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-H+Cl"	33.962126
"274773"	1114.221802	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+Cl"	34.969402
"666101"	1653.848002	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+Cl"	34.969402
"1277411"	574.595602	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Cl"	34.969402
"19966"	1116.201006	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M-2H+K"	36.948606
"458432"	1655.827206	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M-2H+K"	36.948606
"836235"	576.574806	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-2H+K"	36.948606
"1569935"	576.574806	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+K-2H"	36.948606
"955265"	584.624394	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-H+HCOOH"	44.998194
"374212"	1124.250601	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+HCOOH-H"	44.998201
"361358"	1138.266251	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+Hac-H"	59.013851
"1507303"	598.640051	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Hac-H"	59.013851
"973386"	606.606351	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-H+NaCOOH"	66.980151
"124839"	574.595602	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+2Cl"	69.938804
"561116"	844.408702	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+2Cl"	69.938804
"1031008"	304.782502	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2Cl"	69.938804
"1248399"	618.545085	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Br"	78.918885
"1313034"	620.601072	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Cl+HCOOH"	80.974872
"1328345"	642.583029	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Cl+NaCOOH"	102.956829
"916121"	652.611786	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M-H+CF3COOH"	112.985586
"1292829"	688.588464	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Cl+CF3COOH"	148.962264
"1369045"	504.613524	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H-2H2O"	-35.012676
"1386300"	522.6235	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H-H2O"	-17.0027
"290361"	1080.259676	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+H"	1.007276
"686431"	1619.885876	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+H"	1.007276
"1363509"	540.633476	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H"	1.007276
"130935"	540.633476	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+2H"	2.014552
"569399"	810.446576	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+2H"	2.014552
"1041479"	270.820376	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2H"	2.014552
"212665"	360.758076	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+3H"	3.021828
"650039"	540.633476	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+3H"	3.021828
"1172540"	180.882676	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+3H"	3.021828
"435813"	1097.286223	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+NH4"	18.033823
"792435"	1636.912423	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+NH4"	18.033823
"1689858"	557.660023	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+NH4"	18.033823
"338136"	549.1467495	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+H+NH4"	19.041099
"731651"	818.9598495	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+H+NH4"	19.041099
"1484377"	279.3336495	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H+NH4"	19.041099
"399777"	1102.241618	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+Na"	22.989218
"758586"	1641.867818	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+Na"	22.989218
"1606684"	562.615418	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Na"	22.989218
"315626"	551.624447	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+H+Na"	23.996494
"712425"	821.437547	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+H+Na"	23.996494
"1465151"	281.811347	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H+Na"	23.996494
"1057303"	188.20999	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2H+Na"	25.00377
"1258614"	572.659686	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+CH3OH+H"	33.033486
"377788"	1118.215558	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+K"	38.963158
"740735"	1657.841758	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+K"	38.963158
"1542432"	578.589358	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+K"	38.963158
"303616"	559.611417	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+H+K"	39.970434
"692266"	829.424517	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+H+K"	39.970434
"1446938"	289.798317	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H+K"	39.970434
"237119"	1121.286226	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+ACN+H"	42.033826
"1214454"	581.660026	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+ACN+H"	42.033826
"1197609"	291.333651	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+ACN+2H"	43.041102
"190476"	1124.22356	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+2Na-H"	44.97116
"629541"	1663.84976	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+2Na-H"	44.97116
"1132814"	584.59736	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2Na-H"	44.97116
"182671"	562.615418	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+2Na"	45.978436
"621867"	832.428518	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+2Na"	45.978436
"1124278"	292.802318	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2Na"	45.978436
"1400517"	195.537304	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H+2Na"	46.985712
"1431902"	586.638946	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H+HCOOH"	47.012746
"222325"	567.64844	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+3H2O+2H"	56.04448
"1508724"	600.69099	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+IsoProp+H"	61.06479
"409342"	570.602388	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+Na+K"	61.952376
"776538"	840.415488	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+Na+K"	61.952376
"1670681"	300.789288	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Na+K"	61.952376
"253554"	1143.268168	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+ACN+Na"	64.015768
"1226386"	603.641968	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+ACN+Na"	64.015768
"1719894"	603.665493	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+NH4+HCOOH"	64.039293
"1179414"	202.864618	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+3Na"	68.967654
"1652225"	608.620888	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Na+HCOOH"	68.994688
"157748"	1156.17144	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+2K-H"	76.91904
"597913"	1695.79764	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+2K-H"	76.91904
"1084395"	616.54524	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2K-H"	76.91904
"141784"	578.589358	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"2M+2K"	77.926316
"581590"	848.402458	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"3M+2K"	77.926316
"1070243"	308.776258	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2K"	77.926316
"1100191"	618.559792	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2K+H"	78.933592
"1337654"	618.647407	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+DMSO+H"	79.021207
"1010555"	622.686576	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2ACN+H"	83.060376
"1525404"	623.680208	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+IsoProp+Na+H"	84.054008
"991848"	311.846926	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+2ACN+2H"	84.067652
"1589999"	624.594828	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+K+HCOOH"	84.968628
"1417482"	654.626338	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+H+CF3COOH"	115.000138
"1155432"	332.360201	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+3ACN+2H"	125.094202
"1709357"	671.652885	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+NH4+CF3COOH"	132.026685
"1647195"	676.60828	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+Na+CF3COOH"	136.98208
"1575191"	692.58222	"C14184"	"Mirex"	"C10Cl12"	"539.6262"	"M+K+CF3COOH"	152.95602
"808839"	369.8211	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M"	0
"983466"	350.80271	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-H2O-H"	-19.01839
"74990"	245.540124	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M-3H"	-3.021828
"513456"	368.813824	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M-3H"	-3.021828
"881418"	122.266424	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-3H"	-3.021828
"4366"	368.813824	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M-2H"	-2.014552
"448299"	553.724374	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M-2H"	-2.014552
"827194"	183.903274	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-2H"	-2.014552
"84270"	738.634924	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M-H"	-1.007276
"523104"	1108.456024	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M-H"	-1.007276
"902727"	368.813824	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-H"	-1.007276
"60017"	755.661471	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M-2H+NH4"	16.019271
"493383"	1125.482571	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M-2H+NH4"	16.019271
"873006"	385.840371	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-2H+NH4"	16.019271
"35440"	760.616866	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M-2H+Na"	20.974666
"473909"	1130.437966	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M-2H+Na"	20.974666
"853898"	390.795766	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-2H+Na"	20.974666
"1629628"	390.795766	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Na-2H"	20.974666
"102147"	386.802163	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M-H+Cl"	33.962126
"544988"	571.712713	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M-H+Cl"	33.962126
"930853"	201.891613	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-H+Cl"	33.962126
"272694"	774.611602	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+Cl"	34.969402
"662931"	1144.432702	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+Cl"	34.969402
"1278615"	404.790502	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Cl"	34.969402
"20077"	776.590806	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M-2H+K"	36.948606
"459636"	1146.411906	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M-2H+K"	36.948606
"837440"	406.769706	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-2H+K"	36.948606
"1569681"	406.769706	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+K-2H"	36.948606
"955374"	414.819294	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-H+HCOOH"	44.998194
"375780"	784.640401	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+HCOOH-H"	44.998201
"360646"	798.656051	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+Hac-H"	59.013851
"1508372"	428.834951	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Hac-H"	59.013851
"973130"	436.801251	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-H+NaCOOH"	66.980151
"124954"	404.790502	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+2Cl"	69.938804
"563052"	589.701052	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+2Cl"	69.938804
"1034398"	219.879952	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2Cl"	69.938804
"1249603"	448.739985	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Br"	78.918885
"1310957"	450.795972	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Cl+HCOOH"	80.974872
"1328453"	472.777929	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Cl+NaCOOH"	102.956829
"918418"	482.806686	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M-H+CF3COOH"	112.985586
"1292939"	518.783364	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Cl+CF3COOH"	148.962264
"1372193"	334.808424	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H-2H2O"	-35.012676
"1387502"	352.8184	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H-H2O"	-17.0027
"288283"	740.649476	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+H"	1.007276
"687266"	1110.470576	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+H"	1.007276
"1365438"	370.828376	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H"	1.007276
"136150"	370.828376	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+2H"	2.014552
"576073"	555.738926	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+2H"	2.014552
"1045965"	185.917826	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2H"	2.014552
"213869"	247.554676	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+3H"	3.021828
"650150"	370.828376	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+3H"	3.021828
"1172650"	124.280976	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+3H"	3.021828
"435923"	757.676023	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+NH4"	18.033823
"793638"	1127.497123	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+NH4"	18.033823
"1691062"	387.854923	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+NH4"	18.033823
"336059"	379.3416495	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+H+NH4"	19.041099
"731761"	564.2521995	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+H+NH4"	19.041099
"1484487"	194.4310995	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H+NH4"	19.041099
"403167"	762.631418	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+Na"	22.989218
"756509"	1132.452518	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+Na"	22.989218
"1605822"	392.810318	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Na"	22.989218
"315737"	381.819347	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+H+Na"	23.996494
"712535"	566.729897	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+H+Na"	23.996494
"1468541"	196.908797	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H+Na"	23.996494
"1058506"	131.60829	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2H+Na"	25.00377
"1262004"	402.854586	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+CH3OH+H"	33.033486
"380947"	778.605358	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+K"	38.963158
"746313"	1148.426458	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+K"	38.963158
"1544001"	408.784258	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+K"	38.963158
"302631"	389.806317	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+H+K"	39.970434
"692619"	574.716867	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+H+K"	39.970434
"1448507"	204.895767	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H+K"	39.970434
"240754"	781.676026	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+ACN+H"	42.033826
"1214198"	411.854926	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+ACN+H"	42.033826
"1198445"	206.431101	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+ACN+2H"	43.041102
"192041"	784.61336	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+2Na-H"	44.97116
"630014"	1154.43446	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+2Na-H"	44.97116
"1134014"	414.79226	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2Na-H"	44.97116
"181688"	392.810318	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+2Na"	45.978436
"621247"	577.720868	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+2Na"	45.978436
"1125118"	207.899768	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2Na"	45.978436
"1400991"	138.935604	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H+2Na"	46.985712
"1430670"	416.833846	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H+HCOOH"	47.012746
"224622"	397.84334	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+3H2O+2H"	56.04448
"1513049"	430.88589	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+IsoProp+H"	61.06479
"412732"	400.797288	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+Na+K"	61.952376
"774462"	585.707838	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+Na+K"	61.952376
"1671519"	215.886738	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Na+K"	61.952376
"252935"	803.657968	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+ACN+Na"	64.015768
"1227225"	433.836868	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+ACN+Na"	64.015768
"1720004"	433.860393	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+NH4+HCOOH"	64.039293
"1179888"	146.262918	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+3Na"	68.967654
"1653427"	438.815788	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Na+HCOOH"	68.994688
"158830"	816.56124	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+2K-H"	76.91904
"598265"	1186.38234	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+2K-H"	76.91904
"1084468"	446.74014	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2K-H"	76.91904
"141768"	408.784258	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"2M+2K"	77.926316
"582065"	593.694808	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"3M+2K"	77.926316
"1070474"	223.873708	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2K"	77.926316
"1100188"	448.754692	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2K+H"	78.933592
"1335883"	448.842307	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+DMSO+H"	79.021207
"1006284"	452.881476	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2ACN+H"	83.060376
"1525013"	453.875108	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+IsoProp+Na+H"	84.054008
"991350"	226.944376	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+2ACN+2H"	84.067652
"1590838"	454.789728	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+K+HCOOH"	84.968628
"1418685"	484.821238	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+H+CF3COOH"	115.000138
"1155542"	247.457651	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+3ACN+2H"	125.094202
"1708374"	501.847785	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+NH4+CF3COOH"	132.026685
"1644025"	506.80318	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+Na+CF3COOH"	136.98208
"1573478"	522.77712	"C14185"	"Heptachlor;Heptachlorane"	"C10H5Cl7"	"369.8211"	"M+K+CF3COOH"	152.95602
"816922"	225.159	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M"	0
"989412"	206.14061	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-H2O-H"	-19.01839
"77290"	149.098724	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M-3H"	-3.021828
"517942"	224.151724	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M-3H"	-3.021828
"890276"	74.045724	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-3H"	-3.021828
"9943"	224.151724	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M-2H"	-2.014552
"448409"	336.731224	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M-2H"	-2.014552
"824023"	111.572224	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-2H"	-2.014552
"87297"	449.310724	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M-H"	-1.007276
"532326"	674.469724	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M-H"	-1.007276
"906848"	224.151724	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-H"	-1.007276
"61222"	466.337271	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M-2H+NH4"	16.019271
"490578"	691.496271	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M-2H+NH4"	16.019271
"868380"	241.178271	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-2H+NH4"	16.019271
"34824"	471.292666	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M-2H+Na"	20.974666
"474020"	696.451666	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M-2H+Na"	20.974666
"857289"	246.133666	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-2H+Na"	20.974666
"1630832"	246.133666	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Na-2H"	20.974666
"98975"	242.140063	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M-H+Cl"	33.962126
"539630"	354.719563	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M-H+Cl"	33.962126
"930963"	129.560563	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-H+Cl"	33.962126
"274991"	485.287402	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+Cl"	34.969402
"666321"	710.446402	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+Cl"	34.969402
"1278725"	260.128402	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Cl"	34.969402
"20187"	487.266606	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M-2H+K"	36.948606
"461933"	712.425606	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M-2H+K"	36.948606
"835363"	262.107606	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-2H+K"	36.948606
"1570886"	262.107606	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+K-2H"	36.948606
"958036"	270.157194	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-H+HCOOH"	44.998194
"376257"	495.316201	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+HCOOH-H"	44.998201
"360396"	509.331851	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+Hac-H"	59.013851
"1507650"	284.172851	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Hac-H"	59.013851
"972147"	292.139151	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-H+NaCOOH"	66.980151
"123969"	260.128402	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+2Cl"	69.938804
"564624"	372.707902	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+2Cl"	69.938804
"1032322"	147.548902	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2Cl"	69.938804
"1252994"	304.077885	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Br"	78.918885
"1317264"	306.133872	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Cl+HCOOH"	80.974872
"1327471"	328.115829	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Cl+NaCOOH"	102.956829
"918527"	338.144586	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M-H+CF3COOH"	112.985586
"1295236"	374.121264	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Cl+CF3COOH"	148.962264
"1372306"	190.146324	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H-2H2O"	-35.012676
"1389070"	208.1563	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H-H2O"	-17.0027
"288395"	451.325276	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+H"	1.007276
"687012"	676.484276	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+H"	1.007276
"1361542"	226.166276	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H"	1.007276
"141001"	226.166276	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+2H"	2.014552
"581277"	338.745776	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+2H"	2.014552
"1049358"	113.586776	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2H"	2.014552
"216894"	151.113276	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+3H"	3.021828
"656822"	226.166276	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+3H"	3.021828
"1175312"	76.060276	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+3H"	3.021828
"435305"	468.351823	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+NH4"	18.033823
"793748"	693.510823	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+NH4"	18.033823
"1691172"	243.192823	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+NH4"	18.033823
"332889"	234.6795495	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+H+NH4"	19.041099
"731871"	347.2590495	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+H+NH4"	19.041099
"1486784"	122.1000495	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H+NH4"	19.041099
"402184"	473.307218	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+Na"	22.989218
"758806"	698.466218	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+Na"	22.989218
"1610185"	248.148218	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Na"	22.989218
"318034"	237.157247	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+H+Na"	23.996494
"718113"	349.736747	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+H+Na"	23.996494
"1468651"	124.577747	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H+Na"	23.996494
"1060803"	83.38759	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2H+Na"	25.00377
"1263572"	258.192486	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+CH3OH+H"	33.033486
"382150"	489.281158	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+K"	38.963158
"747518"	714.440158	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+K"	38.963158
"1542653"	264.122158	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+K"	38.963158
"301647"	245.144217	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+H+K"	39.970434
"698079"	357.723717	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+H+K"	39.970434
"1449348"	132.564717	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H+K"	39.970434
"239772"	492.351826	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+ACN+H"	42.033826
"1213213"	267.192826	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+ACN+H"	42.033826
"1198191"	134.100051	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+ACN+2H"	43.041102
"191058"	495.28916	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+2Na-H"	44.97116
"630732"	720.44816	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+2Na-H"	44.97116
"1132668"	270.13016	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2Na-H"	44.97116
"182891"	248.148218	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+2Na"	45.978436
"621357"	360.727718	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+2Na"	45.978436
"1128143"	135.568718	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2Na"	45.978436
"1408390"	90.714904	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H+2Na"	46.985712
"1435038"	272.171746	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H+HCOOH"	47.012746
"230199"	253.18124	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+3H2O+2H"	56.04448
"1517168"	286.22379	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+IsoProp+H"	61.06479
"414665"	256.135188	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+Na+K"	61.952376
"778945"	368.714688	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+Na+K"	61.952376
"1671995"	143.555688	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Na+K"	61.952376
"258515"	514.333768	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+ACN+Na"	64.015768
"1231227"	289.174768	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+ACN+Na"	64.015768
"1719021"	289.198293	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+NH4+HCOOH"	64.039293
"1180363"	98.042218	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+3Na"	68.967654
"1650985"	294.153688	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Na+HCOOH"	68.994688
"158331"	527.23704	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+2K-H"	76.91904
"599593"	752.39604	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+2K-H"	76.91904
"1084302"	302.07804	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2K-H"	76.91904
"141504"	264.122158	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"2M+2K"	77.926316
"581434"	376.701658	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"3M+2K"	77.926316
"1068491"	151.542658	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2K"	77.926316
"1100383"	304.092592	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2K+H"	78.933592
"1335915"	304.180207	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+DMSO+H"	79.021207
"1005692"	308.219376	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2ACN+H"	83.060376
"1524356"	309.213008	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+IsoProp+Na+H"	84.054008
"990201"	154.613326	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+2ACN+2H"	84.067652
"1590948"	310.127628	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+K+HCOOH"	84.968628
"1418795"	340.159138	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+H+CF3COOH"	115.000138
"1153465"	175.126601	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+3ACN+2H"	125.094202
"1706297"	357.185685	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+NH4+CF3COOH"	132.026685
"1644135"	362.14108	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+Na+CF3COOH"	136.98208
"1575411"	378.11502	"C14186"	"Prometon;24-Bis(isopropylamino)-6-methoxy-135-triazine"	"C10H19N5O"	"225.159"	"M+K+CF3COOH"	152.95602
"816232"	351.9147	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M"	0
"985877"	332.89631	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-H2O-H"	-19.01839
"70837"	233.602524	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M-3H"	-3.021828
"506025"	350.907424	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M-3H"	-3.021828
"880908"	116.297624	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-3H"	-3.021828
"5680"	350.907424	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H"	-2.014552
"440866"	526.864774	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H"	-2.014552
"821948"	174.950074	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H"	-2.014552
"89594"	702.822124	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M-H"	-1.007276
"519680"	1054.736824	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M-H"	-1.007276
"896749"	350.907424	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-H"	-1.007276
"49303"	719.848671	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H+NH4"	16.019271
"487645"	1071.763371	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H+NH4"	16.019271
"866669"	367.933971	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H+NH4"	16.019271
"34206"	724.804066	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H+Na"	20.974666
"475953"	1076.718766	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H+Na"	20.974666
"854484"	372.889366	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H+Na"	20.974666
"1624746"	372.889366	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na-2H"	20.974666
"104555"	368.895763	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M-H+Cl"	33.962126
"543021"	544.853113	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M-H+Cl"	33.962126
"929250"	192.938413	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+Cl"	33.962126
"272914"	738.798802	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Cl"	34.969402
"665335"	1090.713502	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+Cl"	34.969402
"1273852"	386.884102	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl"	34.969402
"20297"	740.778006	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M-2H+K"	36.948606
"460951"	1092.692706	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M-2H+K"	36.948606
"835473"	388.863306	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-2H+K"	36.948606
"1570629"	388.863306	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+K-2H"	36.948606
"958152"	396.912894	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+HCOOH"	44.998194
"377058"	748.827601	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+HCOOH-H"	44.998201
"361222"	762.843251	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Hac-H"	59.013851
"1508312"	410.928551	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Hac-H"	59.013851
"973351"	418.894851	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+NaCOOH"	66.980151
"124807"	386.884102	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2Cl"	69.938804
"563269"	562.841452	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2Cl"	69.938804
"1032432"	210.926752	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2Cl"	69.938804
"1249825"	430.833585	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Br"	78.918885
"1317738"	432.889572	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl+HCOOH"	80.974872
"1328675"	454.871529	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl+NaCOOH"	102.956829
"918640"	464.900286	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M-H+CF3COOH"	112.985586
"1295348"	500.876964	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Cl+CF3COOH"	148.962264
"1377884"	316.902024	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H-2H2O"	-35.012676
"1388819"	334.912	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H-H2O"	-17.0027
"295066"	704.836676	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H"	1.007276
"684938"	1056.751376	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H"	1.007276
"1361652"	352.921976	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H"	1.007276
"140866"	352.921976	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2H"	2.014552
"580796"	528.879326	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2H"	2.014552
"1049832"	176.964626	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2H"	2.014552
"217733"	235.617076	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+3H"	3.021828
"656567"	352.921976	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+3H"	3.021828
"1174693"	118.312176	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+3H"	3.021828
"437238"	721.863223	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+NH4"	18.033823
"793858"	1073.777923	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+NH4"	18.033823
"1692375"	369.948523	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+NH4"	18.033823
"341383"	361.4352495	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H+NH4"	19.041099
"735628"	537.3925995	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H+NH4"	19.041099
"1488718"	185.4778995	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+NH4"	19.041099
"403388"	726.818618	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Na"	22.989218
"762196"	1078.733318	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+Na"	22.989218
"1614670"	374.903918	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na"	22.989218
"323612"	363.912947	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H+Na"	23.996494
"720045"	539.870297	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H+Na"	23.996494
"1470948"	187.955597	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+Na"	23.996494
"1062007"	125.63949	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2H+Na"	25.00377
"1263684"	384.948186	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+CH3OH+H"	33.033486
"384447"	742.792558	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+K"	38.963158
"745443"	1094.707258	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+K"	38.963158
"1543492"	390.877858	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+K"	38.963158
"301029"	371.899917	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+H+K"	39.970434
"698189"	547.857267	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+H+K"	39.970434
"1449094"	195.942567	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+K"	39.970434
"238423"	745.863226	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+ACN+H"	42.033826
"1212229"	393.948526	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+ACN+H"	42.033826
"1195750"	197.477901	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+ACN+2H"	43.041102
"190080"	748.80056	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2Na-H"	44.97116
"630000"	1100.71526	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2Na-H"	44.97116
"1133628"	396.88586	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2Na-H"	44.97116
"180814"	374.903918	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2Na"	45.978436
"620374"	550.861268	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2Na"	45.978436
"1124974"	198.946568	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2Na"	45.978436
"1407407"	132.966804	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+2Na"	46.985712
"1437335"	398.927446	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+HCOOH"	47.012746
"225936"	379.93694	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+3H2O+2H"	56.04448
"1515092"	412.97949	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+IsoProp+H"	61.06479
"416964"	382.890888	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+Na+K"	61.952376
"775773"	558.848238	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+Na+K"	61.952376
"1669918"	206.933538	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na+K"	61.952376
"263000"	767.845168	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+ACN+Na"	64.015768
"1229150"	415.930468	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+ACN+Na"	64.015768
"1719131"	415.953993	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+NH4+HCOOH"	64.039293
"1181567"	140.294118	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+3Na"	68.967654
"1653283"	420.909388	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na+HCOOH"	68.994688
"161239"	780.74844	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2K-H"	76.91904
"600798"	1132.66314	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2K-H"	76.91904
"1086038"	428.83374	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2K-H"	76.91904
"142244"	390.877858	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"2M+2K"	77.926316
"581472"	566.835208	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"3M+2K"	77.926316
"1068497"	214.920508	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2K"	77.926316
"1099970"	430.848292	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2K+H"	78.933592
"1336155"	430.935907	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+DMSO+H"	79.021207
"1006386"	434.975076	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2ACN+H"	83.060376
"1524233"	435.968708	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+IsoProp+Na+H"	84.054008
"990596"	217.991176	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+2ACN+2H"	84.067652
"1591058"	436.883328	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+K+HCOOH"	84.968628
"1418905"	466.914838	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+H+CF3COOH"	115.000138
"1151379"	238.504451	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+3ACN+2H"	125.094202
"1698134"	483.941385	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+NH4+CF3COOH"	132.026685
"1644245"	488.89678	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+Na+CF3COOH"	136.98208
"1575521"	504.87072	"C14187"	"111-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;op-DDT;2-(2-Chlorophenyl)-2-(4-chlorophenyl)-111-trichloroethane"	"C14H9Cl5"	"351.9147"	"M+K+CF3COOH"	152.95602
"808077"	150.1045	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M"	0
"983797"	131.08611	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"70947"	99.0623906666667	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"510508"	149.097224	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"887214"	49.0275573333333	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"7975"	149.097224	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"446443"	224.149474	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"823151"	74.044974	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"89704"	299.201724	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"523798"	449.306224	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"901600"	149.097224	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"49413"	316.228271	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"490429"	466.332771	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"867506"	166.123771	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"35409"	321.183666	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"475699"	471.288166	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"852771"	171.079166	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1623762"	171.079166	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"100289"	167.085563	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"538755"	242.137813	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"932271"	92.033313	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"269741"	335.178402	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"664350"	485.282902	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1277847"	185.073902	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"20407"	337.157606	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"462153"	487.262106	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"835580"	187.053106	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1570008"	187.053106	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"958350"	195.102694	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"375013"	345.207201	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"360732"	359.222851	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1507982"	209.118351	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"971639"	217.084651	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"123826"	185.073902	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"563021"	260.126152	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1035704"	110.021652	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1255404"	229.023385	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1317847"	231.079372	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1334250"	253.061329	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"924581"	263.090086	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1296550"	299.066764	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1371429"	115.091824	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1392937"	133.1018	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"286790"	301.216276	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"683223"	451.320776	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1360668"	151.111776	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H"	1.007276
"138665"	151.111776	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"578590"	226.164026	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1046659"	76.059526	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"208728"	101.076942666667	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"655217"	151.111776	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1174074"	51.0421093333333	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"432973"	318.242823	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"794697"	468.347323	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1689205"	168.138323	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"340036"	159.6250495	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"728811"	234.6772995	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1485548"	84.5727995	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"402041"	323.198218	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"763036"	473.302718	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1616238"	173.093718	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"320441"	162.102747	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"717237"	237.154997	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1468870"	87.050497	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1057743"	58.3694233333333	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1264886"	183.137986	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"383462"	339.172158	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"745553"	489.276658	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1540196"	189.067658	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K"	38.963158
"299681"	170.089717	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"694288"	245.141967	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1447746"	95.037467	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"238533"	342.242826	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1210063"	192.138326	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1195483"	96.572801	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"188714"	345.18016	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"628813"	495.28466	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1133009"	195.07566	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"177644"	173.093718	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"620484"	248.145968	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1125084"	98.041468	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1406423"	65.6967373333333	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1435258"	197.117246	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"223130"	178.12674	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1513379"	211.16929	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"417073"	181.080688	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"779164"	256.132938	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1668935"	106.028438	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"262747"	364.224768	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1229260"	214.120268	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1715231"	214.143793	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1182407"	73.0240513333333	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1653758"	219.099188	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"160255"	377.12804	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"599086"	527.23254	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1085783"	227.02354	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"141989"	189.067658	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"582765"	264.119908	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1068734"	114.015408	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1101705"	229.038092	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1336995"	229.125707	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1006011"	233.164876	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1525474"	234.158508	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"993381"	117.086076	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1587881"	235.073128	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1417920"	265.104638	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1147356"	137.599351	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1697152"	282.131185	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1647635"	287.08658	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1575631"	303.06052	"C14188"	"3-tert-Butylphenol"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"808187"	271.9562	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M"	0
"978439"	252.93781	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H2O-H"	-19.01839
"72149"	180.296857333333	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-3H"	-3.021828
"509524"	270.948924	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-3H"	-3.021828
"885136"	89.6447906666667	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-3H"	-3.021828
"8085"	270.948924	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H"	-2.014552
"447646"	406.927024	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H"	-2.014552
"828728"	134.970824	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H"	-2.014552
"87627"	542.905124	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-H"	-1.007276
"527188"	814.861324	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-H"	-1.007276
"901710"	270.948924	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H"	-1.007276
"50252"	559.931671	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H+NH4"	16.019271
"490902"	831.887871	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H+NH4"	16.019271
"867252"	287.975471	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H+NH4"	16.019271
"36977"	564.887066	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H+Na"	20.974666
"475446"	836.843266	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H+Na"	20.974666
"849233"	292.930866	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H+Na"	20.974666
"1621686"	292.930866	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na-2H"	20.974666
"103682"	288.937263	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-H+Cl"	33.962126
"543241"	424.915363	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-H+Cl"	33.962126
"930556"	152.959163	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+Cl"	33.962126
"267179"	578.881802	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Cl"	34.969402
"663367"	850.838002	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+Cl"	34.969402
"1273702"	306.925602	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl"	34.969402
"17357"	580.861006	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H+K"	36.948606
"456917"	852.817206	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H+K"	36.948606
"833055"	308.904806	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H+K"	36.948606
"1569754"	308.904806	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K-2H"	36.948606
"957645"	316.954394	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+HCOOH"	44.998194
"375123"	588.910601	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+HCOOH-H"	44.998201
"359744"	602.926251	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Hac-H"	59.013851
"1506388"	330.970051	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Hac-H"	59.013851
"972836"	338.936351	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+NaCOOH"	66.980151
"119918"	306.925602	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2Cl"	69.938804
"562759"	442.903702	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2Cl"	69.938804
"1035568"	170.947502	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2Cl"	69.938804
"1255512"	350.875085	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Br"	78.918885
"1314678"	352.931072	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl+HCOOH"	80.974872
"1326707"	374.913029	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl+NaCOOH"	102.956829
"915578"	384.941786	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+CF3COOH"	112.985586
"1291193"	420.918464	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl+CF3COOH"	148.962264
"1370446"	236.943524	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H-2H2O"	-35.012676
"1389038"	254.9535	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H-H2O"	-17.0027
"292006"	544.919676	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H"	1.007276
"679323"	816.875876	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H"	1.007276
"1361871"	272.963476	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H"	1.007276
"138044"	272.963476	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2H"	2.014552
"580158"	408.941576	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2H"	2.014552
"1050411"	136.985376	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2H"	2.014552
"213207"	182.311409333333	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+3H"	3.021828
"654961"	272.963476	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+3H"	3.021828
"1174548"	91.6593426666667	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+3H"	3.021828
"434905"	561.946223	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+NH4"	18.033823
"795172"	833.902423	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+NH4"	18.033823
"1691503"	289.990023	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+NH4"	18.033823
"338688"	281.4767495	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H+NH4"	19.041099
"732932"	417.4548495	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H+NH4"	19.041099
"1491491"	145.4986495	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+NH4"	19.041099
"405067"	566.901618	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Na"	22.989218
"766426"	838.857818	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+Na"	22.989218
"1616956"	294.945418	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na"	22.989218
"321644"	283.954447	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H+Na"	23.996494
"716983"	419.932547	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H+Na"	23.996494
"1473720"	147.976347	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+Na"	23.996494
"1061133"	98.9866566666667	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2H+Na"	25.00377
"1264998"	304.989686	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+CH3OH+H"	33.033486
"387948"	582.875558	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+K"	38.963158
"745664"	854.831758	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+K"	38.963158
"1541161"	310.919358	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K"	38.963158
"300886"	291.941417	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H+K"	39.970434
"694765"	427.919517	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H+K"	39.970434
"1448586"	155.963317	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+K"	39.970434
"240830"	585.946226	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+ACN+H"	42.033826
"1212084"	313.990026	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+ACN+H"	42.033826
"1194626"	157.498651	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+ACN+2H"	43.041102
"189680"	588.88356	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2Na-H"	44.97116
"628679"	860.83976	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2Na-H"	44.97116
"1132998"	316.92736	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2Na-H"	44.97116
"183222"	294.945418	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2Na"	45.978436
"621687"	430.923518	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2Na"	45.978436
"1124105"	158.967318	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2Na"	45.978436
"1400093"	106.313970666667	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+2Na"	46.985712
"1438647"	318.968946	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+HCOOH"	47.012746
"225063"	299.97844	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+3H2O+2H"	56.04448
"1516405"	333.02099	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+IsoProp+H"	61.06479
"413903"	302.932388	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Na+K"	61.952376
"772712"	438.910488	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+Na+K"	61.952376
"1670137"	166.954288	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na+K"	61.952376
"262856"	607.928168	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+ACN+Na"	64.015768
"1235931"	335.971968	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+ACN+Na"	64.015768
"1720443"	335.995493	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+NH4+HCOOH"	64.039293
"1185797"	113.641284666667	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+3Na"	68.967654
"1653867"	340.950888	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na+HCOOH"	68.994688
"161459"	620.83144	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2K-H"	76.91904
"603207"	892.78764	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2K-H"	76.91904
"1085164"	348.87524	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2K-H"	76.91904
"142223"	310.919358	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2K"	77.926316
"581740"	446.897458	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2K"	77.926316
"1071887"	174.941258	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2K"	77.926316
"1104002"	350.889792	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2K+H"	78.933592
"1336007"	350.977407	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+DMSO+H"	79.021207
"1006968"	355.016576	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2ACN+H"	83.060376
"1525949"	356.010208	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+IsoProp+Na+H"	84.054008
"991303"	178.011926	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2ACN+2H"	84.067652
"1587220"	356.924828	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K+HCOOH"	84.968628
"1415842"	386.956338	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+CF3COOH"	115.000138
"1147712"	198.525201	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+3ACN+2H"	125.094202
"1697869"	403.982885	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+NH4+CF3COOH"	132.026685
"1637904"	408.93828	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na+CF3COOH"	136.98208
"1573554"	424.91222	"C14189"	"246-Trichloro-4-biphenylol;4-Hydroxy-246-trichlorobiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K+CF3COOH"	152.95602
"811577"	305.9173	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M"	0
"985110"	286.89891	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H2O-H"	-19.01839
"75540"	202.937590666667	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-3H"	-3.021828
"515102"	304.910024	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-3H"	-3.021828
"892901"	100.965157333333	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-3H"	-3.021828
"9289"	304.910024	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H"	-2.014552
"451037"	457.868674	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H"	-2.014552
"830663"	151.951374	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H"	-2.014552
"92841"	610.827324	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-H"	-1.007276
"531551"	916.744624	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-H"	-1.007276
"908380"	304.910024	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H"	-1.007276
"54009"	627.853871	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H+NH4"	16.019271
"493568"	933.771171	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H+NH4"	16.019271
"868456"	321.936571	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H+NH4"	16.019271
"39274"	632.809266	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H+Na"	20.974666
"475557"	938.726566	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H+Na"	20.974666
"852265"	326.891966	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H+Na"	20.974666
"1625077"	326.891966	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na-2H"	20.974666
"105978"	322.898363	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-H+Cl"	33.962126
"543351"	475.857013	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-H+Cl"	33.962126
"930302"	169.939713	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+Cl"	33.962126
"269232"	646.804002	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Cl"	34.969402
"663841"	952.721302	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+Cl"	34.969402
"1275882"	340.886702	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl"	34.969402
"22813"	648.783206	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H+K"	36.948606
"457391"	954.700506	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H+K"	36.948606
"835801"	342.865906	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H+K"	36.948606
"1569500"	342.865906	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K-2H"	36.948606
"958207"	350.915494	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+HCOOH"	44.998194
"376211"	656.832801	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+HCOOH-H"	44.998201
"361073"	670.848451	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Hac-H"	59.013851
"1507230"	364.931151	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Hac-H"	59.013851
"973318"	372.897451	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+NaCOOH"	66.980151
"123317"	340.886702	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2Cl"	69.938804
"564700"	493.845352	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2Cl"	69.938804
"1036048"	187.928052	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2Cl"	69.938804
"1255990"	384.836185	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Br"	78.918885
"1319527"	386.892172	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl+HCOOH"	80.974872
"1335204"	408.874129	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl+NaCOOH"	102.956829
"926624"	418.902886	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+CF3COOH"	112.985586
"1303332"	454.879564	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl+CF3COOH"	148.962264
"1376024"	270.904624	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H-2H2O"	-35.012676
"1395709"	288.9146	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H-H2O"	-17.0027
"294301"	612.841876	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H"	1.007276
"685629"	918.759176	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H"	1.007276
"1359791"	306.924576	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H"	1.007276
"130495"	306.924576	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2H"	2.014552
"580639"	459.883226	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2H"	2.014552
"1051616"	153.965926	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2H"	2.014552
"213317"	204.952142666667	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+3H"	3.021828
"651785"	306.924576	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+3H"	3.021828
"1176725"	102.979709333333	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+3H"	3.021828
"436475"	629.868423	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+NH4"	18.033823
"796376"	935.785723	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+NH4"	18.033823
"1692341"	323.951123	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+NH4"	18.033823
"342079"	315.4378495	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H+NH4"	19.041099
"734135"	468.3964995	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H+NH4"	19.041099
"1483945"	162.4791995	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+NH4"	19.041099
"403718"	634.823818	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Na"	22.989218
"766536"	940.741118	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+Na"	22.989218
"1617430"	328.906518	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na"	22.989218
"322848"	317.915547	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H+Na"	23.996494
"717457"	470.874197	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H+Na"	23.996494
"1471278"	164.956897	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+Na"	23.996494
"1061243"	110.307023333333	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2H+Na"	25.00377
"1265109"	338.950786	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+CH3OH+H"	33.033486
"385872"	650.797758	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+K"	38.963158
"749055"	956.715058	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+K"	38.963158
"1545647"	344.880458	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K"	38.963158
"301726"	325.902517	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H+K"	39.970434
"699614"	478.861167	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H+K"	39.970434
"1453434"	172.943867	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+K"	39.970434
"239848"	653.868426	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+ACN+H"	42.033826
"1216935"	347.951126	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+ACN+H"	42.033826
"1197900"	174.479201	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+ACN+2H"	43.041102
"190407"	656.80576	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2Na-H"	44.97116
"632156"	962.72306	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2Na-H"	44.97116
"1135662"	350.88846	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2Na-H"	44.97116
"184425"	328.906518	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2Na"	45.978436
"623984"	481.865168	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2Na"	45.978436
"1127495"	175.947868	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2Na"	45.978436
"1403362"	117.634337333333	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+2Na"	46.985712
"1439851"	352.930046	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+HCOOH"	47.012746
"228453"	333.93954	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+3H2O+2H"	56.04448
"1519795"	366.98209	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+H"	61.06479
"417293"	336.893488	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Na+K"	61.952376
"775009"	489.852138	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+Na+K"	61.952376
"1672434"	183.934838	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na+K"	61.952376
"261142"	675.850368	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+ACN+Na"	64.015768
"1238226"	369.933068	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+ACN+Na"	64.015768
"1726750"	369.956593	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+NH4+HCOOH"	64.039293
"1182991"	124.961651333333	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+3Na"	68.967654
"1660175"	374.911988	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na+HCOOH"	68.994688
"161570"	688.75364	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2K-H"	76.91904
"602224"	994.67094	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2K-H"	76.91904
"1091109"	382.83634	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2K-H"	76.91904
"144643"	344.880458	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2K"	77.926316
"582745"	497.839108	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2K"	77.926316
"1070901"	191.921808	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2K"	77.926316
"1103018"	384.850892	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2K+H"	78.933592
"1339402"	384.938507	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+DMSO+H"	79.021207
"1013398"	388.977676	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2ACN+H"	83.060376
"1528244"	389.971308	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+Na+H"	84.054008
"992506"	194.992476	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2ACN+2H"	84.067652
"1589560"	390.885928	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K+HCOOH"	84.968628
"1417044"	420.917438	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+CF3COOH"	115.000138
"1151709"	215.505751	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+3ACN+2H"	125.094202
"1700165"	437.943985	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+NH4+CF3COOH"	132.026685
"1646762"	442.89938	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na+CF3COOH"	136.98208
"1575851"	458.87332	"C14190"	"2345-Tetrachloro-4-biphenylol;4-Hydroxy-234-5-tetrachlorobiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K+CF3COOH"	152.95602
"808407"	220.0291	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M"	0
"983033"	201.01071	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-H2O-H"	-19.01839
"74557"	145.678790666667	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M-3H"	-3.021828
"508651"	219.021824	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M-3H"	-3.021828
"887544"	72.3357573333333	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-3H"	-3.021828
"8305"	219.021824	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M-2H"	-2.014552
"448959"	329.036374	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M-2H"	-2.014552
"831625"	109.007274	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-2H"	-2.014552
"90034"	439.050924	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M-H"	-1.007276
"526314"	659.080024	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M-H"	-1.007276
"908490"	219.021824	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-H"	-1.007276
"57399"	456.077471	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M-2H+NH4"	16.019271
"493679"	676.106571	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M-2H+NH4"	16.019271
"871483"	236.048371	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-2H+NH4"	16.019271
"38291"	461.032866	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M-2H+Na"	20.974666
"476761"	681.061966	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M-2H+Na"	20.974666
"855655"	241.003766	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-2H+Na"	20.974666
"1627373"	241.003766	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Na-2H"	20.974666
"106088"	237.010163	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M-H+Cl"	33.962126
"546741"	347.024713	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M-H+Cl"	33.962126
"930776"	126.995613	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-H+Cl"	33.962126
"271528"	475.027602	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+Cl"	34.969402
"662857"	695.056702	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+Cl"	34.969402
"1275257"	254.998502	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Cl"	34.969402
"22923"	477.006806	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M-2H+K"	36.948606
"458109"	697.035906	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M-2H+K"	36.948606
"837368"	256.977706	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-2H+K"	36.948606
"1569974"	256.977706	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+K-2H"	36.948606
"957499"	265.027294	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-H+HCOOH"	44.998194
"375229"	485.056401	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+HCOOH-H"	44.998201
"361278"	499.072051	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+Hac-H"	59.013851
"1507582"	279.042951	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Hac-H"	59.013851
"972573"	287.009251	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-H+NaCOOH"	66.980151
"123788"	254.998502	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+2Cl"	69.938804
"565298"	365.013052	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+2Cl"	69.938804
"1035428"	144.983952	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2Cl"	69.938804
"1256465"	298.947985	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Br"	78.918885
"1318909"	301.003972	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Cl+HCOOH"	80.974872
"1335312"	322.985929	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Cl+NaCOOH"	102.956829
"926252"	333.014686	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M-H+CF3COOH"	112.985586
"1302348"	368.991364	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Cl+CF3COOH"	148.962264
"1380147"	185.016424	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H-2H2O"	-35.012676
"1393631"	203.0264	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H-H2O"	-17.0027
"294411"	441.065476	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+H"	1.007276
"687564"	661.094576	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+H"	1.007276
"1359903"	221.036376	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H"	1.007276
"134979"	221.036376	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+2H"	2.014552
"580012"	331.050926	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+2H"	2.014552
"1050268"	111.021826	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2H"	2.014552
"216344"	147.693342666667	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+3H"	3.021828
"654080"	221.036376	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+3H"	3.021828
"1176589"	74.3503093333333	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+3H"	3.021828
"437312"	458.092023	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+NH4"	18.033823
"797579"	678.121123	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+NH4"	18.033823
"1686255"	238.062923	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+NH4"	18.033823
"340002"	229.5496495	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+H+NH4"	19.041099
"737162"	339.5641995	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+H+NH4"	19.041099
"1490616"	119.5350995	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H+NH4"	19.041099
"406746"	463.047418	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+Na"	22.989218
"768105"	683.076518	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+Na"	22.989218
"1614017"	243.018318	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Na"	22.989218
"327333"	232.027347	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+H+Na"	23.996494
"722066"	342.041897	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+H+Na"	23.996494
"1475762"	122.012797	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H+Na"	23.996494
"1058071"	81.6776233333333	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2H+Na"	25.00377
"1266313"	253.062586	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+CH3OH+H"	33.033486
"385982"	479.021358	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+K"	38.963158
"751352"	699.050458	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+K"	38.963158
"1549036"	258.992258	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+K"	38.963158
"302200"	240.014317	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+H+K"	39.970434
"701912"	350.028867	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+H+K"	39.970434
"1454638"	129.999767	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H+K"	39.970434
"244332"	482.092026	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+ACN+H"	42.033826
"1219231"	262.062926	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+ACN+H"	42.033826
"1198740"	131.535101	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+ACN+2H"	43.041102
"190881"	485.02936	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+2Na-H"	44.97116
"636640"	705.05846	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+2Na-H"	44.97116
"1140148"	265.00026	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2Na-H"	44.97116
"183442"	243.018318	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+2Na"	45.978436
"626284"	353.032868	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+2Na"	45.978436
"1126512"	133.003768	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2Na"	45.978436
"1403473"	89.0049373333333	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H+2Na"	46.985712
"1438869"	267.041846	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H+HCOOH"	47.012746
"226378"	248.05134	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+3H2O+2H"	56.04448
"1517720"	281.09389	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+IsoProp+H"	61.06479
"422510"	251.005288	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+Na+K"	61.952376
"783867"	361.019838	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+Na+K"	61.952376
"1680199"	140.990738	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Na+K"	61.952376
"264899"	504.073968	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+ACN+Na"	64.015768
"1240160"	284.044868	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+ACN+Na"	64.015768
"1727833"	284.068393	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+NH4+HCOOH"	64.039293
"1184925"	96.3322513333333	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+3Na"	68.967654
"1659191"	289.023788	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Na+HCOOH"	68.994688
"164959"	516.97724	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+2K-H"	76.91904
"602334"	737.00634	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+2K-H"	76.91904
"1092312"	296.94814	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2K-H"	76.91904
"152408"	258.992258	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"2M+2K"	77.926316
"585407"	369.006808	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"3M+2K"	77.926316
"1071013"	148.977708	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2K"	77.926316
"1102034"	298.962692	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2K+H"	78.933592
"1339513"	299.050307	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+DMSO+H"	79.021207
"1008042"	303.089476	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2ACN+H"	83.060376
"1531636"	304.083108	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+IsoProp+Na+H"	84.054008
"998084"	152.048376	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+2ACN+2H"	84.067652
"1594778"	304.997728	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+K+HCOOH"	84.968628
"1423717"	335.029238	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+H+CF3COOH"	115.000138
"1151090"	172.561651	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+3ACN+2H"	125.094202
"1700279"	352.055785	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+NH4+CF3COOH"	132.026685
"1644685"	357.01118	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+Na+CF3COOH"	136.98208
"1575961"	372.98512	"C14191"	"2-Chloro-44-biphenyldiol;2-Chloro-(11-biphenyl)-44-diol"	"C12H9ClO2"	"220.0291"	"M+K+CF3COOH"	152.95602
"809610"	237.9952	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M"	0
"983143"	218.97681	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H2O-H"	-19.01839
"75396"	157.656190666667	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-3H"	-3.021828
"510948"	236.987924	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-3H"	-3.021828
"889842"	78.3244573333333	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-3H"	-3.021828
"7322"	236.987924	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H"	-2.014552
"446882"	355.985524	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H"	-2.014552
"831246"	117.990324	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H"	-2.014552
"91237"	474.983124	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-H"	-1.007276
"525331"	712.978324	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-H"	-1.007276
"906413"	236.987924	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H"	-1.007276
"61277"	492.009671	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H+NH4"	16.019271
"493790"	730.004871	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H+NH4"	16.019271
"871593"	254.014471	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H+NH4"	16.019271
"39495"	496.965066	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H+Na"	20.974666
"481244"	734.960266	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H+Na"	20.974666
"861232"	258.969866	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H+Na"	20.974666
"1629670"	258.969866	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na-2H"	20.974666
"106198"	254.976263	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-H+Cl"	33.962126
"546851"	373.973863	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-H+Cl"	33.962126
"930522"	135.978663	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+Cl"	33.962126
"271273"	510.959802	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Cl"	34.969402
"663693"	748.955002	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+Cl"	34.969402
"1279380"	272.964602	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl"	34.969402
"20842"	512.939006	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H+K"	36.948606
"461498"	750.934206	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H+K"	36.948606
"838207"	274.943806	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H+K"	36.948606
"1570572"	274.943806	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K-2H"	36.948606
"957933"	282.993394	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+HCOOH"	44.998194
"375824"	520.988601	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+HCOOH-H"	44.998201
"361363"	535.004251	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Hac-H"	59.013851
"1505626"	297.009051	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Hac-H"	59.013851
"973411"	304.975351	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+NaCOOH"	66.980151
"124629"	272.964602	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2Cl"	69.938804
"564682"	391.962202	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2Cl"	69.938804
"1035173"	153.967002	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2Cl"	69.938804
"1256821"	316.914085	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Br"	78.918885
"1318652"	318.970072	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl+HCOOH"	80.974872
"1335056"	340.952029	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl+NaCOOH"	102.956829
"926932"	350.980786	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+CF3COOH"	112.985586
"1301728"	386.957464	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl+CF3COOH"	148.962264
"1379891"	202.982524	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H-2H2O"	-35.012676
"1395200"	220.9925	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H-H2O"	-17.0027
"294887"	476.997676	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H"	1.007276
"689495"	714.992876	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H"	1.007276
"1362202"	239.002476	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H"	1.007276
"136184"	239.002476	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2H"	2.014552
"578297"	358.000076	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2H"	2.014552
"1048553"	120.004876	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2H"	2.014552
"213538"	159.670742666667	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+3H"	3.021828
"652003"	239.002476	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+3H"	3.021828
"1166850"	80.3390093333333	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+3H"	3.021828
"431215"	494.024223	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+NH4"	18.033823
"799876"	732.019423	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+NH4"	18.033823
"1691832"	256.029023	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+NH4"	18.033823
"342298"	247.5157495	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H+NH4"	19.041099
"732531"	366.5133495	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H+NH4"	19.041099
"1487445"	128.5181495	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+NH4"	19.041099
"405762"	498.979618	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Na"	22.989218
"764934"	736.974818	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+Na"	22.989218
"1614127"	260.984418	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na"	22.989218
"327443"	249.993447	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H+Na"	23.996494
"722300"	368.991047	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H+Na"	23.996494
"1475872"	130.995847	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+Na"	23.996494
"1062557"	87.6663233333333	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2H+Na"	25.00377
"1267516"	271.028686	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+CH3OH+H"	33.033486
"384998"	514.953558	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+K"	38.963158
"748182"	752.948758	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+K"	38.963158
"1550238"	276.958358	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K"	38.963158
"306319"	257.980417	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H+K"	39.970434
"700928"	376.978017	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H+K"	39.970434
"1456935"	138.982817	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+K"	39.970434
"243349"	518.024226	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+ACN+H"	42.033826
"1218248"	280.029026	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+ACN+H"	42.033826
"1197757"	140.518151	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+ACN+2H"	43.041102
"190263"	520.96156	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2Na-H"	44.97116
"636750"	758.95676	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2Na-H"	44.97116
"1139165"	282.96636	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2Na-H"	44.97116
"186470"	260.984418	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2Na"	45.978436
"627488"	379.982018	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2Na"	45.978436
"1127715"	141.986818	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2Na"	45.978436
"1406863"	94.9936373333333	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+2Na"	46.985712
"1441166"	285.007946	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+HCOOH"	47.012746
"228675"	266.01744	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+3H2O+2H"	56.04448
"1521111"	299.05999	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+H"	61.06479
"423349"	268.971388	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Na+K"	61.952376
"783977"	387.968988	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+Na+K"	61.952376
"1680553"	149.973788	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na+K"	61.952376
"266102"	540.006168	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+ACN+Na"	64.015768
"1238445"	302.010968	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+ACN+Na"	64.015768
"1728312"	302.034493	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+NH4+HCOOH"	64.039293
"1186127"	102.320951333333	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+3Na"	68.967654
"1659300"	306.989888	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na+HCOOH"	68.994688
"163975"	552.90944	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2K-H"	76.91904
"605725"	790.90464	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2K-H"	76.91904
"1093515"	314.91424	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2K-H"	76.91904
"144864"	276.958358	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2K"	77.926316
"587704"	395.955958	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2K"	77.926316
"1071486"	157.960758	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2K"	77.926316
"1108705"	316.928792	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2K+H"	78.933592
"1339622"	317.016407	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+DMSO+H"	79.021207
"1009245"	321.055576	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2ACN+H"	83.060376
"1528465"	322.049208	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+Na+H"	84.054008
"996007"	161.031426	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2ACN+2H"	84.067652
"1595981"	322.963828	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K+HCOOH"	84.968628
"1423827"	352.995338	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+CF3COOH"	115.000138
"1151200"	181.544701	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+3ACN+2H"	125.094202
"1698566"	370.021885	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+NH4+CF3COOH"	132.026685
"1644795"	374.97728	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na+CF3COOH"	136.98208
"1579351"	390.95122	"C14192"	"26-Dichloro-4-biphenylol;26-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K+CF3COOH"	152.95602
"806440"	237.9952	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M"	0
"976692"	218.97681	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H2O-H"	-19.01839
"73685"	157.656190666667	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-3H"	-3.021828
"508871"	236.987924	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-3H"	-3.021828
"886672"	78.3244573333333	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-3H"	-3.021828
"7432"	236.987924	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H"	-2.014552
"448086"	355.985524	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H"	-2.014552
"826982"	117.990324	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H"	-2.014552
"83691"	474.983124	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-H"	-1.007276
"523253"	712.978324	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-H"	-1.007276
"904337"	236.987924	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H"	-1.007276
"56526"	492.009671	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H+NH4"	16.019271
"490620"	730.004871	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H+NH4"	16.019271
"871703"	254.014471	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H+NH4"	16.019271
"36325"	496.965066	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H+Na"	20.974666
"480261"	734.960266	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H+Na"	20.974666
"854782"	258.969866	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H+Na"	20.974666
"1630874"	258.969866	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na-2H"	20.974666
"108618"	254.976263	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-H+Cl"	33.962126
"549930"	373.973863	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-H+Cl"	33.962126
"933913"	135.978663	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+Cl"	33.962126
"268103"	510.959802	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Cl"	34.969402
"661616"	748.955002	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+Cl"	34.969402
"1276210"	272.964602	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl"	34.969402
"18036"	512.939006	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M-2H+K"	36.948606
"459421"	750.934206	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M-2H+K"	36.948606
"836131"	274.943806	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-2H+K"	36.948606
"1570074"	274.943806	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K-2H"	36.948606
"958210"	282.993394	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+HCOOH"	44.998194
"374840"	520.988601	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+HCOOH-H"	44.998201
"361081"	535.004251	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Hac-H"	59.013851
"1506824"	297.009051	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Hac-H"	59.013851
"972546"	304.975351	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+NaCOOH"	66.980151
"125347"	272.964602	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2Cl"	69.938804
"564298"	391.962202	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2Cl"	69.938804
"1036011"	153.967002	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2Cl"	69.938804
"1256318"	316.914085	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Br"	78.918885
"1319130"	318.970072	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl+HCOOH"	80.974872
"1335294"	340.952029	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl+NaCOOH"	102.956829
"925861"	350.980786	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M-H+CF3COOH"	112.985586
"1301109"	386.957464	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Cl+CF3COOH"	148.962264
"1380365"	202.982524	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H-2H2O"	-35.012676
"1396769"	220.9925	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H-H2O"	-17.0027
"295726"	476.997676	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H"	1.007276
"688146"	714.992876	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H"	1.007276
"1361583"	239.002476	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H"	1.007276
"135198"	239.002476	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2H"	2.014552
"576584"	358.000076	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2H"	2.014552
"1048663"	120.004876	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2H"	2.014552
"213648"	159.670742666667	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+3H"	3.021828
"651020"	239.002476	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+3H"	3.021828
"1173521"	80.3390093333333	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+3H"	3.021828
"431325"	494.024223	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+NH4"	18.033823
"792326"	732.019423	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+NH4"	18.033823
"1693764"	256.029023	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+NH4"	18.033823
"341679"	247.5157495	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H+NH4"	19.041099
"731549"	366.5133495	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H+NH4"	19.041099
"1491323"	128.5181495	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+NH4"	19.041099
"407696"	498.979618	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Na"	22.989218
"769177"	736.974818	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+Na"	22.989218
"1616303"	260.984418	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na"	22.989218
"326460"	249.993447	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H+Na"	23.996494
"722536"	368.991047	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H+Na"	23.996494
"1473432"	130.995847	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+Na"	23.996494
"1068347"	87.6663233333333	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2H+Na"	25.00377
"1267626"	271.028686	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+CH3OH+H"	33.033486
"386201"	514.953558	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+K"	38.963158
"745011"	752.948758	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+K"	38.963158
"1549257"	276.958358	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K"	38.963158
"306430"	257.980417	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+H+K"	39.970434
"701039"	376.978017	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+H+K"	39.970434
"1453765"	138.982817	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+K"	39.970434
"239086"	518.024226	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+ACN+H"	42.033826
"1223826"	280.029026	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+ACN+H"	42.033826
"1203335"	140.518151	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+ACN+2H"	43.041102
"197300"	520.96156	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2Na-H"	44.97116
"635767"	758.95676	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2Na-H"	44.97116
"1138183"	282.96636	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2Na-H"	44.97116
"185850"	260.984418	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2Na"	45.978436
"626870"	379.982018	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2Na"	45.978436
"1129647"	141.986818	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2Na"	45.978436
"1410256"	94.9936373333333	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+2Na"	46.985712
"1441276"	285.007946	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+HCOOH"	47.012746
"230972"	266.01744	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+3H2O+2H"	56.04448
"1521222"	299.05999	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+H"	61.06479
"423745"	268.971388	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+Na+K"	61.952376
"784822"	387.968988	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+Na+K"	61.952376
"1680063"	149.973788	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na+K"	61.952376
"266578"	540.006168	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+ACN+Na"	64.015768
"1241027"	302.010968	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+ACN+Na"	64.015768
"1728258"	302.034493	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+NH4+HCOOH"	64.039293
"1184051"	102.320951333333	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+3Na"	68.967654
"1656131"	306.989888	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na+HCOOH"	68.994688
"162992"	552.90944	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2K-H"	76.91904
"603646"	790.90464	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2K-H"	76.91904
"1093625"	314.91424	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2K-H"	76.91904
"151535"	276.958358	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"2M+2K"	77.926316
"586723"	395.955958	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"3M+2K"	77.926316
"1073420"	157.960758	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2K"	77.926316
"1105535"	316.928792	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2K+H"	78.933592
"1340826"	317.016407	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+DMSO+H"	79.021207
"1008260"	321.055576	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2ACN+H"	83.060376
"1527479"	322.049208	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+Na+H"	84.054008
"998304"	161.031426	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+2ACN+2H"	84.067652
"1592809"	322.963828	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K+HCOOH"	84.968628
"1422843"	352.995338	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+H+CF3COOH"	115.000138
"1153134"	181.544701	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+3ACN+2H"	125.094202
"1698310"	370.021885	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+NH4+CF3COOH"	132.026685
"1644905"	374.97728	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+Na+CF3COOH"	136.98208
"1579461"	390.95122	"C14193"	"25-Dichloro-4-biphenylol;25-Dichloro-(11-biphenyl)-4-ol"	"C12H8Cl2O"	"237.9952"	"M+K+CF3COOH"	152.95602
"806550"	321.9122	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M"	0
"978989"	302.89381	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H2O-H"	-19.01839
"72699"	213.600857333333	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-3H"	-3.021828
"510075"	320.904924	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-3H"	-3.021828
"891156"	106.296790666667	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-3H"	-3.021828
"9730"	320.904924	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H"	-2.014552
"449290"	481.861024	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H"	-2.014552
"831105"	159.948824	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H"	-2.014552
"83802"	642.817124	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-H"	-1.007276
"525551"	964.729324	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-H"	-1.007276
"906633"	320.904924	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H"	-1.007276
"53356"	659.843671	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H+NH4"	16.019271
"494010"	981.755871	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H+NH4"	16.019271
"871814"	337.931471	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H+NH4"	16.019271
"39715"	664.799066	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H+Na"	20.974666
"478184"	986.711266	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H+Na"	20.974666
"854893"	342.886866	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H+Na"	20.974666
"1633053"	342.886866	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na-2H"	20.974666
"108486"	338.893263	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-H+Cl"	33.962126
"549549"	499.849363	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-H+Cl"	33.962126
"932930"	177.937163	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+Cl"	33.962126
"269305"	678.793802	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Cl"	34.969402
"661847"	1000.706002	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+Cl"	34.969402
"1274132"	356.881602	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl"	34.969402
"17782"	680.773006	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H+K"	36.948606
"460622"	1002.685206	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H+K"	36.948606
"837334"	358.860806	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H+K"	36.948606
"1569211"	358.860806	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K-2H"	36.948606
"957097"	366.910394	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+HCOOH"	44.998194
"376044"	688.822601	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+HCOOH-H"	44.998201
"361302"	702.838251	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Hac-H"	59.013851
"1506573"	380.926051	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Hac-H"	59.013851
"973022"	388.892351	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+NaCOOH"	66.980151
"123750"	356.881602	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2Cl"	69.938804
"564404"	517.837702	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2Cl"	69.938804
"1036122"	195.925502	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2Cl"	69.938804
"1255697"	400.831085	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Br"	78.918885
"1318508"	402.887072	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl+HCOOH"	80.974872
"1334914"	424.869029	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl+NaCOOH"	102.956829
"925241"	434.897786	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+CF3COOH"	112.985586
"1301583"	470.874464	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl+CF3COOH"	148.962264
"1380719"	286.899524	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H-2H2O"	-35.012676
"1395056"	304.9095	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H-H2O"	-17.0027
"295472"	644.831676	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H"	1.007276
"689351"	966.743876	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H"	1.007276
"1359140"	322.919476	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H"	1.007276
"135308"	322.919476	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2H"	2.014552
"575963"	483.875576	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2H"	2.014552
"1048773"	161.963376	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2H"	2.014552
"214852"	215.615409333333	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+3H"	3.021828
"651130"	322.919476	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+3H"	3.021828
"1170351"	108.311342666667	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+3H"	3.021828
"430342"	661.858223	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+NH4"	18.033823
"793530"	983.770423	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+NH4"	18.033823
"1688767"	339.946023	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+NH4"	18.033823
"340330"	331.4327495	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H+NH4"	19.041099
"737735"	492.3888495	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H+NH4"	19.041099
"1490945"	170.4766495	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+NH4"	19.041099
"408056"	666.813618	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Na"	22.989218
"769290"	988.725818	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+Na"	22.989218
"1618120"	344.901418	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na"	22.989218
"327663"	333.910447	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H+Na"	23.996494
"722153"	494.866547	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H+Na"	23.996494
"1475123"	172.954347	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+Na"	23.996494
"1068291"	115.638656666667	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2H+Na"	25.00377
"1267735"	354.945686	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+CH3OH+H"	33.033486
"385218"	682.787558	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+K"	38.963158
"747308"	1004.699758	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+K"	38.963158
"1550461"	360.875358	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K"	38.963158
"306540"	341.897417	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H+K"	39.970434
"698962"	502.853517	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H+K"	39.970434
"1453875"	180.941317	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+K"	39.970434
"238467"	685.858226	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+ACN+H"	42.033826
"1222843"	363.946026	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+ACN+H"	42.033826
"1200165"	182.476651	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+ACN+2H"	43.041102
"198503"	688.79556	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2Na-H"	44.97116
"634784"	1010.70776	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2Na-H"	44.97116
"1138293"	366.88336	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2Na-H"	44.97116
"184867"	344.901418	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2Na"	45.978436
"626614"	505.857518	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2Na"	45.978436
"1129027"	183.945318	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2Na"	45.978436
"1410366"	122.965970666667	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+2Na"	46.985712
"1439202"	368.924946	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+HCOOH"	47.012746
"232176"	349.93444	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+3H2O+2H"	56.04448
"1519145"	382.97699	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+IsoProp+H"	61.06479
"422479"	352.888388	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Na+K"	61.952376
"782745"	513.844488	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+Na+K"	61.952376
"1680170"	191.932288	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na+K"	61.952376
"265595"	707.840168	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+ACN+Na"	64.015768
"1240489"	385.927968	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+ACN+Na"	64.015768
"1727554"	385.951493	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+NH4+HCOOH"	64.039293
"1184161"	130.293284666667	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+3Na"	68.967654
"1655511"	390.906888	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na+HCOOH"	68.994688
"163102"	720.74344	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2K-H"	76.91904
"604850"	1042.65564	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2K-H"	76.91904
"1092642"	398.83124	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2K-H"	76.91904
"154682"	360.875358	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2K"	77.926316
"587926"	521.831458	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2K"	77.926316
"1073895"	199.919258	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2K"	77.926316
"1103459"	400.845792	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2K+H"	78.933592
"1338749"	400.933407	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+DMSO+H"	79.021207
"1006913"	404.972576	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2ACN+H"	83.060376
"1525037"	405.966208	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+IsoProp+Na+H"	84.054008
"997322"	202.989926	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2ACN+2H"	84.067652
"1592919"	406.880828	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K+HCOOH"	84.968628
"1421860"	436.912338	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+CF3COOH"	115.000138
"1153244"	223.503201	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+3ACN+2H"	125.094202
"1699512"	453.938885	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+NH4+CF3COOH"	132.026685
"1645015"	458.89428	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na+CF3COOH"	136.98208
"1579571"	474.86822	"C14194"	"3355-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K+CF3COOH"	152.95602
"808847"	204.0342	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M"	0
"979099"	185.01581	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H2O-H"	-19.01839
"72809"	135.015524	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-3H"	-3.021828
"511278"	203.026924	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-3H"	-3.021828
"890172"	67.004124	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-3H"	-3.021828
"9840"	203.026924	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H"	-2.014552
"448307"	305.044024	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H"	-2.014552
"829390"	101.009824	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H"	-2.014552
"82819"	407.061124	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-H"	-1.007276
"522381"	611.095324	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-H"	-1.007276
"903462"	203.026924	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H"	-1.007276
"55650"	424.087671	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H+NH4"	16.019271
"497400"	628.121871	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H+NH4"	16.019271
"871923"	220.053471	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H+NH4"	16.019271
"39825"	429.043066	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H+Na"	20.974666
"477201"	633.077266	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H+Na"	20.974666
"857190"	225.008866	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H+Na"	20.974666
"1631097"	225.008866	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na-2H"	20.974666
"105438"	221.015263	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-H+Cl"	33.962126
"548523"	323.032363	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-H+Cl"	33.962126
"930852"	118.998163	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+Cl"	33.962126
"268322"	443.037802	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Cl"	34.969402
"660214"	647.072002	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+Cl"	34.969402
"1272895"	239.003602	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl"	34.969402
"22266"	445.017006	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H+K"	36.948606
"456724"	649.051206	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H+K"	36.948606
"835258"	240.982806	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H+K"	36.948606
"1568594"	240.982806	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K-2H"	36.948606
"956479"	249.032394	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+HCOOH"	44.998194
"374330"	453.066601	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+HCOOH-H"	44.998201
"357485"	467.082251	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Hac-H"	59.013851
"1508226"	263.048051	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Hac-H"	59.013851
"973495"	271.014351	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+NaCOOH"	66.980151
"123132"	239.003602	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2Cl"	69.938804
"563786"	341.020702	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2Cl"	69.938804
"1035866"	136.986502	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2Cl"	69.938804
"1255079"	282.953085	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Br"	78.918885
"1316797"	285.009072	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl+HCOOH"	80.974872
"1332471"	306.991029	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl+NaCOOH"	102.956829
"924987"	317.019786	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+CF3COOH"	112.985586
"1302547"	352.996464	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl+CF3COOH"	148.962264
"1382047"	169.021524	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H-2H2O"	-35.012676
"1396992"	187.0315	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H-H2O"	-17.0027
"292664"	409.075676	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H"	1.007276
"689462"	613.109876	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H"	1.007276
"1361439"	205.041476	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H"	1.007276
"139432"	205.041476	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2H"	2.014552
"578261"	307.058576	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2H"	2.014552
"1048155"	103.024376	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2H"	2.014552
"213868"	137.030076	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+3H"	3.021828
"651239"	205.041476	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+3H"	3.021828
"1167181"	69.018676	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+3H"	3.021828
"428265"	426.102223	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+NH4"	18.033823
"794733"	630.136423	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+NH4"	18.033823
"1688877"	222.068023	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+NH4"	18.033823
"343720"	213.5547495	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H+NH4"	19.041099
"737362"	315.5718495	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H+NH4"	19.041099
"1491055"	111.5376495	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+NH4"	19.041099
"408329"	431.057618	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Na"	22.989218
"768669"	635.091818	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+Na"	22.989218
"1617947"	227.023418	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na"	22.989218
"327897"	216.032447	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H+Na"	23.996494
"721292"	318.049547	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H+Na"	23.996494
"1476206"	114.015347	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+Na"	23.996494
"1068426"	76.34599	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2H+Na"	25.00377
"1268939"	237.067686	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+CH3OH+H"	33.033486
"386421"	447.031558	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+K"	38.963158
"746324"	651.065758	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+K"	38.963158
"1551664"	242.997358	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K"	38.963158
"306650"	224.019417	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H+K"	39.970434
"701259"	326.036517	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H+K"	39.970434
"1456173"	122.002317	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+K"	39.970434
"244773"	450.102226	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+ACN+H"	42.033826
"1222589"	246.068026	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+ACN+H"	42.033826
"1202462"	123.537651	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+ACN+2H"	43.041102
"198613"	453.03956	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2Na-H"	44.97116
"637081"	657.07376	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2Na-H"	44.97116
"1138402"	249.00536	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2Na-H"	44.97116
"182425"	227.023418	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2Na"	45.978436
"625635"	329.040518	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2Na"	45.978436
"1128412"	125.006318	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2Na"	45.978436
"1409385"	83.673304	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+2Na"	46.985712
"1441500"	251.046946	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+HCOOH"	47.012746
"232287"	232.05644	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+3H2O+2H"	56.04448
"1518891"	265.09899	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+IsoProp+H"	61.06479
"422954"	235.010388	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Na+K"	61.952376
"785574"	337.027488	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+Na+K"	61.952376
"1680523"	132.993288	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na+K"	61.952376
"266677"	472.084168	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+ACN+Na"	64.015768
"1238412"	268.049968	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+ACN+Na"	64.015768
"1727910"	268.073493	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+NH4+HCOOH"	64.039293
"1186458"	91.000618	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+3Na"	68.967654
"1655257"	273.028888	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na+HCOOH"	68.994688
"162119"	484.98744	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2K-H"	76.91904
"604960"	689.02164	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2K-H"	76.91904
"1092752"	280.95324	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2K-H"	76.91904
"150661"	242.997358	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2K"	77.926316
"588036"	345.014458	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2K"	77.926316
"1075828"	140.980258	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2K"	77.926316
"1105756"	282.967792	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2K+H"	78.933592
"1341046"	283.055407	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+DMSO+H"	79.021207
"1011763"	287.094576	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2ACN+H"	83.060376
"1528795"	288.088208	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+IsoProp+Na+H"	84.054008
"997431"	144.050926	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2ACN+2H"	84.067652
"1593029"	289.002828	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K+HCOOH"	84.968628
"1420875"	319.034338	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+CF3COOH"	115.000138
"1152258"	164.564201	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+3ACN+2H"	125.094202
"1697434"	336.060885	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+NH4+CF3COOH"	132.026685
"1646219"	341.01628	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na+CF3COOH"	136.98208
"1579681"	356.99022	"C14195"	"4-Chloro-4-biphenylol;4-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K+CF3COOH"	152.95602
"810050"	321.9122	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M"	0
"978115"	302.89381	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H2O-H"	-19.01839
"72919"	213.600857333333	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-3H"	-3.021828
"511388"	320.904924	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-3H"	-3.021828
"890282"	106.296790666667	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-3H"	-3.021828
"11043"	320.904924	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H"	-2.014552
"448417"	481.861024	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H"	-2.014552
"829500"	159.948824	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H"	-2.014552
"85115"	642.817124	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-H"	-1.007276
"529051"	964.729324	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-H"	-1.007276
"904665"	320.904924	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H"	-1.007276
"56853"	659.843671	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H+NH4"	16.019271
"497510"	981.755871	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H+NH4"	16.019271
"875313"	337.931471	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H+NH4"	16.019271
"39935"	664.799066	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H+Na"	20.974666
"480591"	986.711266	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H+Na"	20.974666
"857300"	342.886866	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H+Na"	20.974666
"1632666"	342.886866	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na-2H"	20.974666
"108463"	338.893263	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-H+Cl"	33.962126
"549120"	499.849363	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-H+Cl"	33.962126
"930962"	177.937163	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+Cl"	33.962126
"268553"	678.793802	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Cl"	34.969402
"660484"	1000.706002	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+Cl"	34.969402
"1273129"	356.881602	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl"	34.969402
"19096"	680.773006	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M-2H+K"	36.948606
"457563"	1002.685206	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M-2H+K"	36.948606
"835368"	358.860806	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-2H+K"	36.948606
"1569433"	358.860806	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K-2H"	36.948606
"956953"	366.910394	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+HCOOH"	44.998194
"375531"	688.822601	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+HCOOH-H"	44.998201
"358688"	702.838251	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Hac-H"	59.013851
"1506062"	380.926051	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Hac-H"	59.013851
"971781"	388.892351	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+NaCOOH"	66.980151
"122878"	356.881602	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2Cl"	69.938804
"562800"	517.837702	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2Cl"	69.938804
"1032327"	195.925502	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2Cl"	69.938804
"1255189"	400.831085	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Br"	78.918885
"1317271"	402.887072	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl+HCOOH"	80.974872
"1334767"	424.869029	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl+NaCOOH"	102.956829
"922179"	434.897786	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M-H+CF3COOH"	112.985586
"1300347"	470.874464	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Cl+CF3COOH"	148.962264
"1380696"	286.899524	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H-2H2O"	-35.012676
"1396371"	304.9095	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H-H2O"	-17.0027
"293141"	644.831676	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H"	1.007276
"689937"	966.743876	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H"	1.007276
"1363371"	322.919476	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H"	1.007276
"138813"	322.919476	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2H"	2.014552
"578370"	483.875576	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2H"	2.014552
"1047172"	161.963376	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2H"	2.014552
"213978"	215.615409333333	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+3H"	3.021828
"651349"	322.919476	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+3H"	3.021828
"1165102"	108.311342666667	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+3H"	3.021828
"426189"	661.858223	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+NH4"	18.033823
"789376"	983.770423	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+NH4"	18.033823
"1686800"	339.946023	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+NH4"	18.033823
"344559"	331.4327495	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H+NH4"	19.041099
"736252"	492.3888495	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H+NH4"	19.041099
"1487885"	170.4766495	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+NH4"	19.041099
"408312"	666.813618	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Na"	22.989218
"768655"	988.725818	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+Na"	22.989218
"1617119"	344.901418	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na"	22.989218
"326790"	333.910447	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H+Na"	23.996494
"721398"	494.866547	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H+Na"	23.996494
"1473032"	172.954347	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+Na"	23.996494
"1065186"	115.638656666667	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2H+Na"	25.00377
"1270141"	354.945686	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+CH3OH+H"	33.033486
"384344"	682.787558	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+K"	38.963158
"747526"	1004.699758	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+K"	38.963158
"1550680"	360.875358	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K"	38.963158
"307854"	341.897417	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+H+K"	39.970434
"698088"	502.853517	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+H+K"	39.970434
"1457375"	180.941317	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+K"	39.970434
"242696"	685.858226	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+ACN+H"	42.033826
"1220876"	363.946026	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+ACN+H"	42.033826
"1199292"	182.476651	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+ACN+2H"	43.041102
"195443"	688.79556	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2Na-H"	44.97116
"637191"	1010.70776	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2Na-H"	44.97116
"1137418"	366.88336	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2Na-H"	44.97116
"183990"	344.901418	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2Na"	45.978436
"626103"	505.857518	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2Na"	45.978436
"1128882"	183.945318	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2Na"	45.978436
"1409855"	122.965970666667	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+2Na"	46.985712
"1442702"	368.924946	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+HCOOH"	47.012746
"232032"	349.93444	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+3H2O+2H"	56.04448
"1523375"	382.97699	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+IsoProp+H"	61.06479
"423670"	352.888388	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+Na+K"	61.952376
"780409"	513.844488	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+Na+K"	61.952376
"1680512"	191.932288	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na+K"	61.952376
"265450"	707.840168	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+ACN+Na"	64.015768
"1237429"	385.927968	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+ACN+Na"	64.015768
"1728362"	385.951493	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+NH4+HCOOH"	64.039293
"1186568"	130.293284666667	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+3Na"	68.967654
"1655367"	390.906888	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na+HCOOH"	68.994688
"161499"	720.74344	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2K-H"	76.91904
"606163"	1042.65564	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2K-H"	76.91904
"1091769"	398.83124	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2K-H"	76.91904
"151864"	360.875358	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"2M+2K"	77.926316
"588146"	521.831458	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"3M+2K"	77.926316
"1075939"	199.919258	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2K"	77.926316
"1105866"	400.845792	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2K+H"	78.933592
"1343343"	400.933407	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+DMSO+H"	79.021207
"1009686"	404.972576	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2ACN+H"	83.060376
"1531092"	405.966208	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+IsoProp+Na+H"	84.054008
"997541"	202.989926	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+2ACN+2H"	84.067652
"1594232"	406.880828	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K+HCOOH"	84.968628
"1423171"	436.912338	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+H+CF3COOH"	115.000138
"1151639"	223.503201	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+3ACN+2H"	125.094202
"1697220"	453.938885	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+NH4+CF3COOH"	132.026685
"1646329"	458.89428	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+Na+CF3COOH"	136.98208
"1579791"	474.86822	"C14196"	"2356-Tetrachloro-44-biphenyldiol"	"C12H6Cl4O2"	"321.9122"	"M+K+CF3COOH"	152.95602
"810160"	373.8393	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M"	0
"976039"	354.82091	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-H2O-H"	-19.01839
"74853"	248.218924	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M-3H"	-3.021828
"511501"	372.832024	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M-3H"	-3.021828
"890392"	123.605824	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-3H"	-3.021828
"11153"	372.832024	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M-2H"	-2.014552
"451446"	559.751674	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M-2H"	-2.014552
"829610"	185.912374	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-2H"	-2.014552
"90694"	746.671324	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M-H"	-1.007276
"529162"	1120.510624	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M-H"	-1.007276
"909150"	372.832024	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-H"	-1.007276
"60244"	763.697871	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M-2H+NH4"	16.019271
"497620"	1137.537171	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M-2H+NH4"	16.019271
"875423"	389.858571	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-2H+NH4"	16.019271
"40045"	768.653266	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M-2H+Na"	20.974666
"477420"	1142.492566	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M-2H+Na"	20.974666
"859596"	394.813966	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-2H+Na"	20.974666
"1632046"	394.813966	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Na-2H"	20.974666
"108937"	390.820363	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M-H+Cl"	33.962126
"545218"	577.740013	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M-H+Cl"	33.962126
"931073"	203.900713	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-H+Cl"	33.962126
"268542"	782.648002	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+Cl"	34.969402
"660146"	1156.487302	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+Cl"	34.969402
"1273319"	408.808702	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Cl"	34.969402
"16279"	784.627206	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M-2H+K"	36.948606
"456701"	1158.466506	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M-2H+K"	36.948606
"835478"	410.787906	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-2H+K"	36.948606
"1569907"	410.787906	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+K-2H"	36.948606
"957427"	418.837494	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-H+HCOOH"	44.998194
"376370"	792.676801	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+HCOOH-H"	44.998201
"359526"	806.692451	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+Hac-H"	59.013851
"1506899"	432.853151	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Hac-H"	59.013851
"972983"	440.819451	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-H+NaCOOH"	66.980151
"123716"	408.808702	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+2Cl"	69.938804
"562546"	595.728352	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+2Cl"	69.938804
"1035965"	221.889052	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2Cl"	69.938804
"1255663"	452.758185	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Br"	78.918885
"1318110"	454.814172	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Cl+HCOOH"	80.974872
"1331231"	476.796129	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Cl+NaCOOH"	102.956829
"924111"	486.824886	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M-H+CF3COOH"	112.985586
"1300820"	522.801564	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Cl+CF3COOH"	148.962264
"1379346"	338.826624	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H-2H2O"	-35.012676
"1396117"	356.8366	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H-H2O"	-17.0027
"292884"	748.685876	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+H"	1.007276
"688589"	1122.525176	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+H"	1.007276
"1361294"	374.846576	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H"	1.007276
"138194"	374.846576	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+2H"	2.014552
"576292"	561.766226	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+2H"	2.014552
"1048375"	187.926926	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2H"	2.014552
"214088"	250.233476	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+3H"	3.021828
"651460"	374.846576	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+3H"	3.021828
"1167401"	125.620376	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+3H"	3.021828
"426299"	765.712423	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+NH4"	18.033823
"791672"	1139.551723	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+NH4"	18.033823
"1684724"	391.873123	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+NH4"	18.033823
"344669"	383.3598495	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+H+NH4"	19.041099
"735268"	570.2794995	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+H+NH4"	19.041099
"1487995"	196.4401995	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H+NH4"	19.041099
"408136"	770.667818	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+Na"	22.989218
"764391"	1144.507118	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+Na"	22.989218
"1617229"	396.828518	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Na"	22.989218
"326900"	385.837547	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+H+Na"	23.996494
"719321"	572.757197	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+H+Na"	23.996494
"1470956"	198.917897	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H+Na"	23.996494
"1064202"	132.94769	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2H+Na"	25.00377
"1269159"	406.872786	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+CH3OH+H"	33.033486
"385549"	786.641758	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+K"	38.963158
"746545"	1160.481058	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+K"	38.963158
"1544225"	412.802458	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+K"	38.963158
"299938"	393.824517	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+H+K"	39.970434
"693089"	580.744167	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+H+K"	39.970434
"1452018"	206.904867	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H+K"	39.970434
"240619"	789.712426	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+ACN+H"	42.033826
"1216612"	415.873126	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+ACN+H"	42.033826
"1195026"	208.440201	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+ACN+2H"	43.041102
"194460"	792.64976	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+2Na-H"	44.97116
"637301"	1166.48906	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+2Na-H"	44.97116
"1134247"	418.81046	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2Na-H"	44.97116
"184100"	396.828518	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+2Na"	45.978436
"625849"	583.748168	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+2Na"	45.978436
"1128627"	209.908868	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2Na"	45.978436
"1411424"	140.275004	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H+2Na"	46.985712
"1439164"	420.852046	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H+HCOOH"	47.012746
"233964"	401.86154	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+3H2O+2H"	56.04448
"1519837"	434.90409	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+H"	61.06479
"422441"	404.815488	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+Na+K"	61.952376
"781247"	591.735138	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+Na+K"	61.952376
"1678310"	217.895838	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Na+K"	61.952376
"263008"	811.694368	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+ACN+Na"	64.015768
"1237539"	437.855068	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+ACN+Na"	64.015768
"1727970"	437.878593	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+NH4+HCOOH"	64.039293
"1187407"	147.602318	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+3Na"	68.967654
"1656570"	442.833988	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Na+HCOOH"	68.994688
"160880"	824.59764	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+2K-H"	76.91904
"604086"	1198.43694	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+2K-H"	76.91904
"1090786"	450.75834	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2K-H"	76.91904
"149787"	412.802458	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"2M+2K"	77.926316
"588256"	599.722108	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"3M+2K"	77.926316
"1074955"	225.882808	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2K"	77.926316
"1102694"	452.772892	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2K+H"	78.933592
"1342359"	452.860507	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+DMSO+H"	79.021207
"1009067"	456.899676	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2ACN+H"	83.060376
"1531202"	457.893308	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+Na+H"	84.054008
"996555"	228.953476	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+2ACN+2H"	84.067652
"1593248"	458.807928	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+K+HCOOH"	84.968628
"1422188"	488.839438	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+H+CF3COOH"	115.000138
"1151385"	249.466751	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+3ACN+2H"	125.094202
"1698019"	505.865985	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+NH4+CF3COOH"	132.026685
"1649680"	510.82138	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+Na+CF3COOH"	136.98208
"1579902"	526.79532	"C14197"	"223366-Hexachloro-4-biphenylol;4-Hydroxy-PCB 136"	"C12H4Cl6O"	"373.8393"	"M+K+CF3COOH"	152.95602
"810270"	373.8393	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M"	0
"979429"	354.82091	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H2O-H"	-19.01839
"74234"	248.218924	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-3H"	-3.021828
"511611"	372.832024	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-3H"	-3.021828
"890502"	123.605824	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-3H"	-3.021828
"10170"	372.832024	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H"	-2.014552
"448637"	559.751674	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H"	-2.014552
"828627"	185.912374	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H"	-2.014552
"92991"	746.671324	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H"	-1.007276
"529272"	1120.510624	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H"	-1.007276
"909260"	372.832024	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H"	-1.007276
"59261"	763.697871	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+NH4"	16.019271
"492263"	1137.537171	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+NH4"	16.019271
"875533"	389.858571	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+NH4"	16.019271
"40155"	768.653266	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+Na"	20.974666
"477530"	1142.492566	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+Na"	20.974666
"859706"	394.813966	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+Na"	20.974666
"1631063"	394.813966	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na-2H"	20.974666
"107954"	390.820363	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H+Cl"	33.962126
"546422"	577.740013	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H+Cl"	33.962126
"933370"	203.900713	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+Cl"	33.962126
"271933"	782.648002	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Cl"	34.969402
"662166"	1156.487302	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Cl"	34.969402
"1274568"	408.808702	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl"	34.969402
"16517"	784.627206	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+K"	36.948606
"457783"	1158.466506	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+K"	36.948606
"833401"	410.787906	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+K"	36.948606
"1570745"	410.787906	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K-2H"	36.948606
"957777"	418.837494	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+HCOOH"	44.998194
"376478"	792.676801	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+HCOOH-H"	44.998201
"359271"	806.692451	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Hac-H"	59.013851
"1504821"	432.853151	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Hac-H"	59.013851
"972000"	440.819451	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+NaCOOH"	66.980151
"123098"	408.808702	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Cl"	69.938804
"562656"	595.728352	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Cl"	69.938804
"1035467"	221.889052	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Cl"	69.938804
"1256139"	452.758185	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Br"	78.918885
"1318222"	454.814172	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+HCOOH"	80.974872
"1332436"	476.796129	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+NaCOOH"	102.956829
"923127"	486.824886	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+CF3COOH"	112.985586
"1299835"	522.801564	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+CF3COOH"	148.962264
"1380550"	338.826624	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-2H2O"	-35.012676
"1394770"	356.8366	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-H2O"	-17.0027
"292631"	748.685876	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H"	1.007276
"684325"	1122.525176	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H"	1.007276
"1359582"	374.846576	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H"	1.007276
"137575"	374.846576	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2H"	2.014552
"574945"	561.766226	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2H"	2.014552
"1046665"	187.926926	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H"	2.014552
"214931"	250.233476	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H"	3.021828
"655946"	374.846576	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+3H"	3.021828
"1170791"	125.620376	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3H"	3.021828
"432969"	765.712423	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+NH4"	18.033823
"791782"	1139.551723	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+NH4"	18.033823
"1682645"	391.873123	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4"	18.033823
"342593"	383.3598495	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+NH4"	19.041099
"733191"	570.2794995	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+NH4"	19.041099
"1485917"	196.4401995	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+NH4"	19.041099
"402412"	770.667818	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na"	22.989218
"765593"	1144.507118	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na"	22.989218
"1611508"	396.828518	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na"	22.989218
"321541"	385.837547	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+Na"	23.996494
"712140"	572.757197	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+Na"	23.996494
"1464141"	198.917897	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+Na"	23.996494
"1056658"	132.94769	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H+Na"	25.00377
"1260521"	406.872786	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+CH3OH+H"	33.033486
"383473"	786.641758	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+K"	38.963158
"741915"	1160.481058	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+K"	38.963158
"1545429"	412.802458	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K"	38.963158
"300050"	393.824517	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+K"	39.970434
"692471"	580.744167	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+K"	39.970434
"1452128"	206.904867	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+K"	39.970434
"239636"	789.712426	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+H"	42.033826
"1216722"	415.873126	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+H"	42.033826
"1195500"	208.440201	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+2H"	43.041102
"194570"	792.64976	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na-H"	44.97116
"637411"	1166.48906	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na-H"	44.97116
"1132289"	418.81046	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na-H"	44.97116
"176555"	396.828518	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na"	45.978436
"624865"	583.748168	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na"	45.978436
"1128372"	209.908868	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na"	45.978436
"1411167"	140.275004	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+2Na"	46.985712
"1436724"	420.852046	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+HCOOH"	47.012746
"229334"	401.86154	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H2O+2H"	56.04448
"1519219"	434.90409	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+H"	61.06479
"421458"	404.815488	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na+K"	61.952376
"783180"	591.735138	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na+K"	61.952376
"1670398"	217.895838	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+K"	61.952376
"256554"	811.694368	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+Na"	64.015768
"1231452"	437.855068	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+Na"	64.015768
"1720337"	437.878593	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+HCOOH"	64.039293
"1180590"	147.602318	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3Na"	68.967654
"1653398"	442.833988	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+HCOOH"	68.994688
"159895"	824.59764	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K-H"	76.91904
"600548"	1198.43694	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K-H"	76.91904
"1088708"	450.75834	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K-H"	76.91904
"149896"	412.802458	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K"	77.926316
"583260"	599.722108	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K"	77.926316
"1072876"	225.882808	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K"	77.926316
"1102075"	452.772892	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K+H"	78.933592
"1338823"	452.860507	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+DMSO+H"	79.021207
"1008812"	456.899676	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+H"	83.060376
"1524750"	457.893308	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+Na+H"	84.054008
"994477"	228.953476	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+2H"	84.067652
"1593355"	458.807928	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+HCOOH"	84.968628
"1425576"	488.839438	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+CF3COOH"	115.000138
"1151492"	249.466751	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3ACN+2H"	125.094202
"1697885"	505.865985	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+CF3COOH"	132.026685
"1649790"	510.82138	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+CF3COOH"	136.98208
"1580012"	526.79532	"C14198"	"223466-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+CF3COOH"	152.95602
"814027"	289.9224	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M"	0
"977358"	270.90401	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"64507"	192.274324	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"507347"	288.915124	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"880772"	95.633524	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"4812"	288.915124	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"440486"	433.876324	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"817389"	143.953924	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"78878"	578.837524	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"518645"	868.759924	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"896246"	288.915124	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"52818"	595.864071	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"493473"	885.786471	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"872006"	305.941671	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"36989"	600.819466	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"474361"	890.741866	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"852163"	310.897066	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1619509"	310.897066	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"96036"	306.903463	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"539970"	451.864663	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"937858"	161.942263	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"267788"	614.814202	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"662281"	904.736602	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1275778"	324.891802	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"19429"	616.793406	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"471025"	906.715806	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"844086"	326.871006	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1566845"	326.871006	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"957894"	334.920594	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"376147"	624.843001	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"357923"	638.858651	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1507368"	348.936251	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"973210"	356.902551	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"124792"	324.891802	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"563863"	469.853002	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1031567"	179.930602	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1251872"	368.841285	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1311402"	370.897272	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1328901"	392.879229	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"922147"	402.907986	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1296669"	438.884664	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1375924"	254.909724	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1388316"	272.9197	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"289826"	580.852076	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"681153"	870.774476	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1355316"	290.929676	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"138416"	290.929676	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"575789"	435.890876	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1047503"	145.968476	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"211030"	194.288876	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"651683"	290.929676	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1170904"	97.648076	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"429802"	597.878623	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"794083"	887.801023	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1684945"	307.956223	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"343067"	299.4429495	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"735492"	444.4041495	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1490041"	154.4817495	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"404709"	602.834018	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"761330"	892.756418	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1606148"	312.911618	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"319464"	301.920647	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"709698"	446.881847	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1464612"	156.959447	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1057132"	104.97539	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1259538"	322.955886	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"381031"	618.807958	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"742391"	908.730358	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1544446"	328.885558	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"308184"	309.907617	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"697324"	454.868817	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1452239"	164.946417	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"244123"	621.878626	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1213553"	331.956226	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1195249"	166.481751	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"188847"	624.81596	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"628647"	914.73836	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1138844"	334.89356	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"182134"	312.911618	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"621696"	457.872818	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1129214"	167.950418	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1407634"	112.302704	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1443760"	336.935146	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"227257"	317.94464	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1515318"	350.98719	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"416098"	320.898588	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"779281"	465.859788	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1674518"	175.937388	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"258852"	643.860568	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1232657"	353.938168	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1722636"	353.961693	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1179243"	119.630018	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1652416"	358.917088	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"160735"	656.76384	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"603210"	946.68624	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1089179"	366.84144	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"146726"	328.885558	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"588471"	473.846758	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1075170"	183.924358	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1104007"	368.855992	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1343673"	368.943607	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1008922"	372.982776	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1530327"	373.976408	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"991673"	186.995026	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1587997"	374.891028	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1414238"	404.922538	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1147593"	207.508301	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1698607"	421.949085	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1640095"	426.90448	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1583401"	442.87842	"C14199"	"2255-Tetrachlorobiphenyl;2255-TCB;PCB 52"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"810489"	150.1045	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M"	0
"977468"	131.08611	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"65709"	99.0623906666667	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"508549"	149.097224	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"880433"	49.0275573333333	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"1644"	149.097224	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"440388"	224.149474	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"817786"	74.044974	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"79599"	299.201724	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"519042"	449.306224	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"897085"	149.097224	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"54021"	316.228271	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"494676"	466.332771	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"874302"	166.123771	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"36006"	321.183666	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"474472"	471.288166	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"852274"	171.079166	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1622899"	171.079166	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"98333"	167.085563	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"545547"	242.137813	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"934688"	92.033313	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"268870"	335.178402	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"662391"	485.282902	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1275888"	185.073902	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"23912"	337.157606	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"470647"	487.262106	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"845289"	187.053106	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1570971"	187.053106	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"957275"	195.102694	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"375973"	345.207201	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"357672"	359.222851	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1506872"	209.118351	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"971496"	217.084651	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"122590"	185.073902	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"562148"	260.126152	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1031676"	110.021652	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1247973"	229.023385	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1312605"	231.079372	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1331197"	253.061329	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"918976"	263.090086	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1297872"	299.066764	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1376034"	115.091824	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1391344"	133.1018	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"289936"	301.216276	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"680170"	451.320776	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1354697"	151.111776	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H"	1.007276
"139984"	151.111776	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"577720"	226.164026	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1047612"	76.059526	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"212232"	101.076942666667	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"648512"	151.111776	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1165545"	51.0421093333333	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"429912"	318.242823	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"792006"	468.347323	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1682260"	168.138323	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"340989"	159.6250495	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"736331"	234.6772995	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1491609"	84.5727995	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"405912"	323.198218	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"758160"	473.302718	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1610631"	173.093718	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"320667"	162.102747	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"710171"	237.154997	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1465085"	87.050497	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1063436"	58.3694233333333	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1259281"	183.137986	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"382596"	339.172158	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"745778"	489.276658	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1544556"	189.067658	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+K"	38.963158
"309387"	170.089717	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"697434"	245.141967	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1454535"	95.037467	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"240952"	342.242826	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1211109"	192.138326	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1197545"	96.572801	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"190418"	345.18016	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"630463"	495.28466	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1137859"	195.07566	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"182244"	173.093718	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"621805"	248.145968	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1127501"	98.041468	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1407744"	65.6967373333333	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1436580"	197.117246	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"224087"	178.12674	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1515429"	211.16929	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"419489"	181.080688	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"776111"	256.132938	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1676815"	106.028438	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"260058"	364.224768	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1233861"	214.120268	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1719467"	214.143793	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1179109"	73.0240513333333	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1650418"	219.099188	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"157928"	377.12804	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"597852"	527.23254	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1086009"	227.02354	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"145743"	189.067658	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"588583"	264.119908	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1072727"	114.015408	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1102292"	229.038092	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1337949"	229.125707	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1008303"	233.164876	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1526063"	234.158508	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"992515"	117.086076	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1587745"	235.073128	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1415228"	265.104638	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1157188"	137.599351	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1701272"	282.131185	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1639113"	287.08658	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1583511"	303.06052	"C14200"	"4-tert-Butylphenol;Butylphen"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"816072"	357.8444	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M"	0
"984138"	338.82601	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"63754"	237.555657333333	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"503314"	356.837124	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"880263"	118.274190666667	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"1025"	356.837124	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"440587"	535.759324	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"817293"	177.914924	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"78567"	714.681524	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"527424"	1072.525924	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"905227"	356.837124	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"56321"	731.708071	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"495881"	1089.552471	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"870405"	373.863671	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"38304"	736.663466	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"480052"	1094.507866	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"853479"	378.819066	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1626293"	378.819066	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"99538"	374.825463	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"543474"	553.747663	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"928604"	195.903263	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"268980"	750.658202	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"661282"	1108.502602	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1278185"	392.813802	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"26578"	752.637406	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"469057"	1110.481806	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"847235"	394.793006	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1569987"	394.793006	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"957504"	402.842594	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"375720"	760.687001	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"360698"	774.702651	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1507342"	416.858251	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"972703"	424.824551	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"124769"	392.813802	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"561169"	571.736002	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1032884"	213.891602	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1255015"	436.763285	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1319855"	438.819272	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1333863"	460.801229	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"923462"	470.829986	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1300900"	506.806664	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1382182"	322.831724	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1395829"	340.8417	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"295514"	716.696076	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"686843"	1074.540476	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1358820"	358.851676	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"133897"	358.851676	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"573456"	537.773876	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1041162"	179.929476	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"211251"	239.570209333333	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"650812"	358.851676	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1168938"	120.288742666667	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"424308"	733.722623	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"792116"	1091.567023	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1686259"	375.878223	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"341104"	367.3649495	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"736805"	546.2871495	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1492083"	188.4427495	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"406023"	738.678018	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"761551"	1096.522418	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1614023"	380.833618	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"326248"	369.842647	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"715388"	548.764847	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1470303"	190.920447	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1060265"	127.616056666667	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1265226"	390.877886	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"383801"	754.651958	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"744796"	1112.496358	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1549041"	396.807558	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"308404"	377.829617	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"698638"	556.751817	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1451366"	198.907417	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"238145"	757.722626	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1211584"	399.878226	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1202032"	200.442751	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"190529"	760.65996	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"632275"	1118.50436	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1138337"	402.81556	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"183451"	380.833618	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"625197"	559.755818	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1128707"	201.911418	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1412473"	134.943370666667	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1441431"	404.857146	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"232580"	385.86664	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1519912"	418.90919	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"411217"	388.820588	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"776222"	567.742788	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1669274"	209.898388	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"257983"	779.704568	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1237255"	421.860168	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1720673"	421.883693	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1180922"	142.270684666667	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1650164"	426.839088	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"158039"	792.60784	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"598694"	1150.45224	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1085754"	434.76344	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"142937"	396.807558	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"585412"	575.729758	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1073203"	217.885358	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1101313"	436.777992	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1339520"	436.865607	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1009145"	440.904776	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1525574"	441.898408	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"995914"	220.956026	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1589321"	442.813028	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1420450"	472.844538	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1159488"	241.469301	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1700290"	489.871085	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1640316"	494.82648	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1580342"	510.80042	"C14201"	"224455-Hexachlorobiphenyl;PCB 153"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"810709"	357.8444	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M"	0
"980965"	338.82601	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"67024"	237.555657333333	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"505489"	356.837124	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"884382"	118.274190666667	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"5143"	356.837124	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"444706"	535.759324	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"821416"	177.914924	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"79582"	714.681524	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"527534"	1072.525924	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"906430"	356.837124	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"56431"	731.708071	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"497084"	1089.552471	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"869422"	373.863671	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"42789"	736.663466	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"480162"	1094.507866	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"857963"	378.819066	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1628588"	378.819066	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"105115"	374.825463	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"543584"	553.747663	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"929442"	195.903263	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"271278"	750.658202	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"664065"	1108.502602	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1277202"	392.813802	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"26688"	752.637406	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"471345"	1110.481806	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"847707"	394.793006	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1570098"	394.793006	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"953606"	402.842594	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"375832"	760.687001	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"359352"	774.702651	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1506727"	416.858251	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"969533"	424.824551	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"120261"	392.813802	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"559821"	571.736002	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1031899"	213.891602	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1251476"	436.763285	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1312830"	438.819272	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1335067"	460.801229	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"926814"	470.829986	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1304090"	506.806664	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1382616"	322.831724	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1397519"	340.8417	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"295987"	716.696076	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"681482"	1074.540476	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1361481"	358.851676	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"131819"	358.851676	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"573565"	537.773876	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1043459"	179.929476	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"214275"	239.570209333333	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"646546"	358.851676	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1165766"	120.288742666667	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"426851"	733.722623	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"792226"	1091.567023	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1689649"	375.878223	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"341212"	367.3649495	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"728166"	546.2871495	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1486359"	188.4427495	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"402851"	738.678018	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"764939"	1096.522418	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1614133"	380.833618	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"326356"	369.842647	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"716591"	548.764847	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1475518"	190.920447	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1064751"	127.616056666667	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1269709"	390.877886	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"386098"	754.651958	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"749279"	1112.496358	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1543682"	396.807558	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"308514"	377.829617	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"698748"	556.751817	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1452569"	198.907417	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"240077"	757.722626	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1213880"	399.878226	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1199956"	200.442751	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"191732"	760.65996	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"634572"	1118.50436	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1144280"	402.81556	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"186113"	380.833618	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"626405"	559.755818	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1127722"	201.911418	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1412463"	134.943370666667	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1444458"	404.857146	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"234151"	385.86664	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1521116"	418.90919	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"414243"	388.820588	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"776332"	567.742788	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1669384"	209.898388	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"257000"	779.704568	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1238458"	421.860168	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1720783"	421.883693	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1179575"	142.270684666667	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1651406"	426.839088	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"159241"	792.60784	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"598192"	1150.45224	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1089145"	434.76344	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"145963"	396.807558	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"586614"	575.729758	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1074409"	217.885358	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1104335"	436.777992	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1340721"	436.865607	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1009252"	440.904776	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1529571"	441.898408	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"993837"	220.956026	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1589431"	442.813028	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1420560"	472.844538	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1156318"	241.469301	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1700400"	489.871085	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1639333"	494.82648	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1580452"	510.80042	"C14202"	"224466-Hexachlorobiphenyl;PCB 155"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"810819"	373.8393	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M"	0
"977795"	354.82091	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H2O-H"	-19.01839
"68227"	248.218924	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-3H"	-3.021828
"504746"	372.832024	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-3H"	-3.021828
"883035"	123.605824	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-3H"	-3.021828
"3070"	372.832024	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H"	-2.014552
"441537"	559.751674	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H"	-2.014552
"819705"	185.912374	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H"	-2.014552
"85896"	746.671324	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H"	-1.007276
"528741"	1120.510624	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H"	-1.007276
"908000"	372.832024	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H"	-1.007276
"54355"	763.697871	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+NH4"	16.019271
"496104"	1137.537171	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+NH4"	16.019271
"872811"	389.858571	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+NH4"	16.019271
"32570"	768.653266	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+Na"	20.974666
"480272"	1142.492566	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+Na"	20.974666
"856980"	394.813966	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+Na"	20.974666
"1628700"	394.813966	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na-2H"	20.974666
"101946"	390.820363	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H+Cl"	33.962126
"542601"	577.740013	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H+Cl"	33.962126
"930645"	203.900713	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+Cl"	33.962126
"270295"	782.648002	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Cl"	34.969402
"668191"	1156.487302	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Cl"	34.969402
"1286066"	408.808702	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl"	34.969402
"28257"	784.627206	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+K"	36.948606
"471104"	1158.466506	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+K"	36.948606
"847737"	410.787906	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+K"	36.948606
"1570453"	410.787906	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K-2H"	36.948606
"957325"	418.837494	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+HCOOH"	44.998194
"376306"	792.676801	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+HCOOH-H"	44.998201
"360434"	806.692451	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Hac-H"	59.013851
"1506717"	432.853151	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Hac-H"	59.013851
"968915"	440.819451	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+NaCOOH"	66.980151
"123286"	408.808702	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Cl"	69.938804
"561023"	595.728352	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Cl"	69.938804
"1033831"	221.889052	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Cl"	69.938804
"1252679"	452.758185	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Br"	78.918885
"1315856"	454.814172	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+HCOOH"	80.974872
"1332622"	476.796129	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+NaCOOH"	102.956829
"925140"	486.824886	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+CF3COOH"	112.985586
"1299295"	522.801564	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+CF3COOH"	148.962264
"1378185"	338.826624	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-2H2O"	-35.012676
"1393858"	356.8366	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-H2O"	-17.0027
"290266"	748.685876	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H"	1.007276
"682688"	1122.525176	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H"	1.007276
"1362319"	374.846576	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H"	1.007276
"134116"	374.846576	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2H"	2.014552
"571488"	561.766226	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2H"	2.014552
"1041382"	187.926926	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H"	2.014552
"214749"	250.233476	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H"	3.021828
"645076"	374.846576	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+3H"	3.021828
"1166970"	125.620376	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3H"	3.021828
"425987"	765.712423	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+NH4"	18.033823
"795616"	1139.551723	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+NH4"	18.033823
"1690858"	391.873123	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4"	18.033823
"338043"	383.3598495	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+NH4"	19.041099
"734835"	570.2794995	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+NH4"	19.041099
"1483552"	196.4401995	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+NH4"	19.041099
"395670"	770.667818	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na"	22.989218
"761769"	1144.507118	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na"	22.989218
"1614243"	396.828518	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na"	22.989218
"326466"	385.837547	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+Na"	23.996494
"718888"	572.757197	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+Na"	23.996494
"1468334"	198.917897	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+Na"	23.996494
"1058300"	132.94769	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H+Na"	25.00377
"1266541"	406.872786	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+CH3OH+H"	33.033486
"384024"	786.641758	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+K"	38.963158
"751582"	1160.481058	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+K"	38.963158
"1544885"	412.802458	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K"	38.963158
"308624"	393.824517	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+K"	39.970434
"698859"	580.744167	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+K"	39.970434
"1451586"	206.904867	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+K"	39.970434
"238004"	789.712426	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+H"	42.033826
"1211192"	415.873126	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+H"	42.033826
"1201159"	208.440201	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+2H"	43.041102
"191842"	792.64976	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na-H"	44.97116
"635777"	1166.48906	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na-H"	44.97116
"1143660"	418.81046	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na-H"	44.97116
"185857"	396.828518	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na"	45.978436
"625784"	583.748168	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na"	45.978436
"1128561"	209.908868	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na"	45.978436
"1412815"	140.275004	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+2Na"	46.985712
"1445175"	420.852046	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+HCOOH"	47.012746
"232072"	401.86154	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H2O+2H"	56.04448
"1522321"	434.90409	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+H"	61.06479
"419820"	404.815488	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na+K"	61.952376
"776442"	591.735138	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na+K"	61.952376
"1671682"	217.895838	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+K"	61.952376
"258203"	811.694368	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+Na"	64.015768
"1236381"	437.855068	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+Na"	64.015768
"1724174"	437.878593	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+HCOOH"	64.039293
"1181873"	147.602318	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3Na"	68.967654
"1653949"	442.833988	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+HCOOH"	68.994688
"159111"	824.59764	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K-H"	76.91904
"598671"	1198.43694	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K-H"	76.91904
"1089257"	450.75834	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K-H"	76.91904
"144980"	412.802458	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K"	77.926316
"585631"	599.722108	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K"	77.926316
"1072332"	225.882808	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K"	77.926316
"1104446"	452.772892	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K+H"	78.933592
"1338645"	452.860507	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+DMSO+H"	79.021207
"1008271"	456.899676	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+H"	83.060376
"1528588"	457.893308	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+Na+H"	84.054008
"997227"	228.953476	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+2H"	84.067652
"1590635"	458.807928	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+HCOOH"	84.968628
"1422858"	488.839438	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+CF3COOH"	115.000138
"1156428"	249.466751	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3ACN+2H"	125.094202
"1699417"	505.865985	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+CF3COOH"	132.026685
"1640536"	510.82138	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+CF3COOH"	136.98208
"1580562"	526.79532	"C14203"	"223355-Hexachloro-6-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+CF3COOH"	152.95602
"809836"	292.0671	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M"	0
"980091"	273.04871	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-H2O-H"	-19.01839
"68337"	193.704124	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M-3H"	-3.021828
"504980"	291.059824	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M-3H"	-3.021828
"882418"	96.348424	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-3H"	-3.021828
"5367"	291.059824	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M-2H"	-2.014552
"442376"	437.093374	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M-2H"	-2.014552
"827471"	145.026274	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-2H"	-2.014552
"84913"	583.126924	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M-H"	-1.007276
"531403"	875.194024	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M-H"	-1.007276
"908839"	291.059824	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-H"	-1.007276
"59204"	600.153471	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M-2H+NH4"	16.019271
"497672"	892.220571	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M-2H+NH4"	16.019271
"874014"	308.086371	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-2H+NH4"	16.019271
"35355"	605.108866	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M-2H+Na"	20.974666
"480382"	897.175966	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M-2H+Na"	20.974666
"857090"	313.041766	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-2H+Na"	20.974666
"1628810"	313.041766	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Na-2H"	20.974666
"102056"	309.048163	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M-H+Cl"	33.962126
"541616"	455.081713	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M-H+Cl"	33.962126
"930755"	163.014613	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-H+Cl"	33.962126
"271498"	619.103602	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+Cl"	34.969402
"668301"	911.170702	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+Cl"	34.969402
"1287269"	327.036502	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Cl"	34.969402
"28002"	621.082806	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M-2H+K"	36.948606
"469752"	913.149906	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M-2H+K"	36.948606
"846099"	329.015706	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-2H+K"	36.948606
"1570440"	329.015706	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+K-2H"	36.948606
"957353"	337.065294	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-H+HCOOH"	44.998194
"375684"	629.132401	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+HCOOH-H"	44.998201
"359568"	643.148051	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+Hac-H"	59.013851
"1506947"	351.080951	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Hac-H"	59.013851
"971933"	359.047251	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-H+NaCOOH"	66.980151
"124126"	327.036502	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+2Cl"	69.938804
"561134"	473.070052	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+2Cl"	69.938804
"1033214"	181.002952	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2Cl"	69.938804
"1252789"	370.985985	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Br"	78.918885
"1315966"	373.041972	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Cl+HCOOH"	80.974872
"1332368"	395.023929	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Cl+NaCOOH"	102.956829
"925857"	405.052686	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M-H+CF3COOH"	112.985586
"1299405"	441.029364	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Cl+CF3COOH"	148.962264
"1377931"	257.054424	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H-2H2O"	-35.012676
"1394333"	275.0644	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H-H2O"	-17.0027
"289282"	585.141476	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+H"	1.007276
"680610"	877.208576	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+H"	1.007276
"1358054"	293.074376	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H"	1.007276
"137504"	293.074376	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+2H"	2.014552
"571598"	439.107926	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+2H"	2.014552
"1041853"	147.040826	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2H"	2.014552
"211578"	195.718676	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+3H"	3.021828
"644939"	293.074376	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+3H"	3.021828
"1164894"	98.362976	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+3H"	3.021828
"425246"	602.168023	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+NH4"	18.033823
"794633"	894.235123	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+NH4"	18.033823
"1690968"	310.100923	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+NH4"	18.033823
"340340"	301.5876495	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+H+NH4"	19.041099
"734945"	447.6211995	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+H+NH4"	19.041099
"1483298"	155.5540995	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H+NH4"	19.041099
"394687"	607.123418	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+Na"	22.989218
"759692"	899.190518	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+Na"	22.989218
"1611073"	315.056318	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Na"	22.989218
"325483"	304.065347	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+H+Na"	23.996494
"717905"	450.098897	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+H+Na"	23.996494
"1468808"	158.031797	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H+Na"	23.996494
"1058774"	105.69029	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2H+Na"	25.00377
"1264465"	325.100586	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+CH3OH+H"	33.033486
"380854"	623.097358	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+K"	38.963158
"741483"	915.164458	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+K"	38.963158
"1543900"	331.030258	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+K"	38.963158
"306546"	312.052317	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+H+K"	39.970434
"696780"	458.085867	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+H+K"	39.970434
"1453881"	166.018767	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H+K"	39.970434
"236287"	626.168026	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+ACN+H"	42.033826
"1210045"	334.100926	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+ACN+H"	42.033826
"1195433"	167.554101	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+ACN+2H"	43.041102
"188739"	629.10536	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+2Na-H"	44.97116
"628562"	921.17246	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+2Na-H"	44.97116
"1142676"	337.03826	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2Na-H"	44.97116
"186333"	315.056318	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+2Na"	45.978436
"625894"	461.089868	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+2Na"	45.978436
"1129033"	169.022768	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2Na"	45.978436
"1411464"	113.017604	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H+2Na"	46.985712
"1445166"	339.079846	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H+HCOOH"	47.012746
"233274"	320.08934	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+3H2O+2H"	56.04448
"1522795"	353.13189	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+IsoProp+H"	61.06479
"422117"	323.043288	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+Na+K"	61.952376
"778737"	469.076838	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+Na+K"	61.952376
"1673978"	177.009738	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Na+K"	61.952376
"257220"	648.149968	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+ACN+Na"	64.015768
"1235397"	356.082868	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+ACN+Na"	64.015768
"1724284"	356.106393	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+NH4+HCOOH"	64.039293
"1184169"	120.344918	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+3Na"	68.967654
"1654060"	361.061788	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Na+HCOOH"	68.994688
"159221"	661.05324	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+2K-H"	76.91904
"597688"	953.12034	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+2K-H"	76.91904
"1085357"	368.98614	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2K-H"	76.91904
"142174"	331.030258	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"2M+2K"	77.926316
"585741"	477.063808	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"3M+2K"	77.926316
"1070254"	184.996708	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2K"	77.926316
"1102005"	371.000692	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2K+H"	78.933592
"1338755"	371.088307	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+DMSO+H"	79.021207
"1006921"	375.127476	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2ACN+H"	83.060376
"1528698"	376.121108	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+IsoProp+Na+H"	84.054008
"998430"	188.067376	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+2ACN+2H"	84.067652
"1590745"	377.035728	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+K+HCOOH"	84.968628
"1422968"	407.067238	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+H+CF3COOH"	115.000138
"1156538"	208.580651	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+3ACN+2H"	125.094202
"1699527"	424.093785	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+NH4+CF3COOH"	132.026685
"1639553"	429.04918	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+Na+CF3COOH"	136.98208
"1580672"	445.02312	"C14204"	"Hydroxyflutamide"	"C11H11F3N2O4"	"292.0671"	"M+K+CF3COOH"	152.95602
"809946"	206.1671	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M"	0
"979108"	187.14871	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-H2O-H"	-19.01839
"67353"	136.437457333333	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M-3H"	-3.021828
"504725"	205.159824	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M-3H"	-3.021828
"881796"	67.7150906666667	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-3H"	-3.021828
"1467"	205.159824	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M-2H"	-2.014552
"445034"	308.243374	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M-2H"	-2.014552
"818467"	102.076274	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-2H"	-2.014552
"78736"	411.326924	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M-H"	-1.007276
"527500"	617.494024	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M-H"	-1.007276
"905666"	205.159824	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-H"	-1.007276
"53481"	428.353471	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M-2H+NH4"	16.019271
"494135"	634.520571	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M-2H+NH4"	16.019271
"870843"	222.186371	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-2H+NH4"	16.019271
"38744"	433.308866	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M-2H+Na"	20.974666
"478304"	639.475966	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M-2H+Na"	20.974666
"858293"	227.141766	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-2H+Na"	20.974666
"1628919"	227.141766	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Na-2H"	20.974666
"99979"	223.148163	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M-H+Cl"	33.962126
"541726"	326.231713	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M-H+Cl"	33.962126
"929772"	120.064613	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-H+Cl"	33.962126
"267555"	447.303602	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+Cl"	34.969402
"666586"	653.470702	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+Cl"	34.969402
"1281910"	241.136502	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Cl"	34.969402
"27748"	449.282806	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M-2H+K"	36.948606
"468404"	655.449906	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M-2H+K"	36.948606
"844019"	243.115706	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-2H+K"	36.948606
"1569334"	243.115706	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+K-2H"	36.948606
"955396"	251.165294	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-H+HCOOH"	44.998194
"374335"	457.332401	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+HCOOH-H"	44.998201
"359678"	471.348051	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+Hac-H"	59.013851
"1505958"	265.180951	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Hac-H"	59.013851
"971678"	273.147251	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-H+NaCOOH"	66.980151
"124235"	241.136502	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+2Cl"	69.938804
"560882"	344.220052	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+2Cl"	69.938804
"1032232"	138.052952	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2Cl"	69.938804
"1252899"	285.085985	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Br"	78.918885
"1318264"	287.141972	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Cl+HCOOH"	80.974872
"1332478"	309.123929	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Cl+NaCOOH"	102.956829
"925724"	319.152686	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M-H+CF3COOH"	112.985586
"1299151"	355.129364	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Cl+CF3COOH"	148.962264
"1378041"	171.154424	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H-2H2O"	-35.012676
"1394443"	189.1644	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H-H2O"	-17.0027
"289391"	413.341476	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+H"	1.007276
"680720"	619.508576	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+H"	1.007276
"1358164"	207.174376	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H"	1.007276
"137614"	207.174376	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+2H"	2.014552
"571708"	310.257926	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+2H"	2.014552
"1043785"	104.090826	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2H"	2.014552
"211688"	138.452009333333	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+3H"	3.021828
"650154"	207.174376	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+3H"	3.021828
"1165004"	69.7296426666667	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+3H"	3.021828
"428270"	430.368023	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+NH4"	18.033823
"795837"	636.535123	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+NH4"	18.033823
"1689986"	224.200923	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+NH4"	18.033823
"336077"	215.6876495	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+H+NH4"	19.041099
"731775"	318.7711995	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+H+NH4"	19.041099
"1485595"	112.6040995	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H+NH4"	19.041099
"395890"	435.323418	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+Na"	22.989218
"761989"	641.490518	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+Na"	22.989218
"1607902"	229.156318	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Na"	22.989218
"322313"	218.165347	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+H+Na"	23.996494
"718014"	321.248897	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+H+Na"	23.996494
"1469647"	115.081797	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H+Na"	23.996494
"1060707"	77.0569566666667	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2H+Na"	25.00377
"1265669"	239.200586	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+CH3OH+H"	33.033486
"385338"	451.297358	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+K"	38.963158
"741958"	657.464458	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+K"	38.963158
"1546196"	245.130258	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+K"	38.963158
"306655"	226.152317	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+H+K"	39.970434
"699076"	329.235867	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+H+K"	39.970434
"1452898"	123.068767	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H+K"	39.970434
"236113"	454.368026	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+ACN+H"	42.033826
"1211049"	248.200926	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+ACN+H"	42.033826
"1194936"	124.604101	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+ACN+2H"	43.041102
"188767"	457.30536	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+2Na-H"	44.97116
"628696"	663.47246	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+2Na-H"	44.97116
"1142422"	251.13826	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2Na-H"	44.97116
"186811"	229.156318	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+2Na"	45.978436
"626370"	332.239868	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+2Na"	45.978436
"1127686"	126.072768	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2Na"	45.978436
"1413033"	84.3842706666667	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H+2Na"	46.985712
"1444788"	253.179846	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H+HCOOH"	47.012746
"232292"	234.18934	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+3H2O+2H"	56.04448
"1521447"	267.23189	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+IsoProp+H"	61.06479
"423200"	237.143288	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+Na+K"	61.952376
"781034"	340.226838	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+Na+K"	61.952376
"1678099"	134.059738	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Na+K"	61.952376
"257330"	476.349968	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+ACN+Na"	64.015768
"1234414"	270.182868	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+ACN+Na"	64.015768
"1723301"	270.206393	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+NH4+HCOOH"	64.039293
"1182093"	91.7115846666667	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+3Na"	68.967654
"1651984"	275.161788	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Na+HCOOH"	68.994688
"158359"	489.25324	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+2K-H"	76.91904
"597919"	695.42034	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+2K-H"	76.91904
"1086196"	283.08614	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2K-H"	76.91904
"144107"	245.130258	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"2M+2K"	77.926316
"585853"	348.213808	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"3M+2K"	77.926316
"1072551"	142.046708	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2K"	77.926316
"1102481"	285.100692	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2K+H"	78.933592
"1337406"	285.188307	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+DMSO+H"	79.021207
"1007153"	289.227476	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2ACN+H"	83.060376
"1528808"	290.221108	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+IsoProp+Na+H"	84.054008
"998540"	145.117376	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+2ACN+2H"	84.067652
"1591949"	291.135728	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+K+HCOOH"	84.968628
"1424172"	321.167238	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+H+CF3COOH"	115.000138
"1156648"	165.630651	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+3ACN+2H"	125.094202
"1699637"	338.193785	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+NH4+CF3COOH"	132.026685
"1639663"	343.14918	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+Na+CF3COOH"	136.98208
"1580782"	359.12312	"C14205"	"4-tert-Octylphenol;4-t-Octylphenol;4-(1133-Tetramethylbutyl)phenol"	"C14H22O"	"206.1671"	"M+K+CF3COOH"	152.95602
"810056"	303.0065	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M"	0
"979218"	283.98811	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-H2O-H"	-19.01839
"70743"	200.997057333333	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M-3H"	-3.021828
"504105"	301.999224	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M-3H"	-3.021828
"883728"	99.9948906666667	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-3H"	-3.021828
"2669"	301.999224	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M-2H"	-2.014552
"444050"	453.502474	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M-2H"	-2.014552
"819670"	150.495974	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-2H"	-2.014552
"79296"	605.005724	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M-H"	-1.007276
"528703"	908.012224	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M-H"	-1.007276
"904682"	301.999224	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-H"	-1.007276
"53590"	622.032271	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M-2H+NH4"	16.019271
"490964"	925.038771	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M-2H+NH4"	16.019271
"868766"	319.025771	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-2H+NH4"	16.019271
"34480"	626.987666	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M-2H+Na"	20.974666
"480599"	929.994166	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M-2H+Na"	20.974666
"856215"	323.981166	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-2H+Na"	20.974666
"1629027"	323.981166	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Na-2H"	20.974666
"103369"	319.987563	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M-H+Cl"	33.962126
"539649"	471.490813	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M-H+Cl"	33.962126
"928180"	168.484313	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-H+Cl"	33.962126
"268557"	640.982402	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+Cl"	34.969402
"663048"	943.988902	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+Cl"	34.969402
"1284205"	337.975902	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Cl"	34.969402
"26762"	642.961606	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M-2H+K"	36.948606
"469601"	945.968106	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M-2H+K"	36.948606
"840847"	339.955106	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-2H+K"	36.948606
"1564336"	339.955106	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+K-2H"	36.948606
"957085"	348.004694	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-H+HCOOH"	44.998194
"373352"	651.011201	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+HCOOH-H"	44.998201
"359788"	665.026851	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+Hac-H"	59.013851
"1507773"	362.020351	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Hac-H"	59.013851
"974100"	369.986651	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-H+NaCOOH"	66.980151
"125076"	337.975902	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+2Cl"	69.938804
"564272"	489.479152	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+2Cl"	69.938804
"1036975"	186.472652	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2Cl"	69.938804
"1252645"	381.925385	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Br"	78.918885
"1316550"	383.981372	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Cl+HCOOH"	80.974872
"1331859"	405.963329	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Cl+NaCOOH"	102.956829
"921824"	415.992086	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M-H+CF3COOH"	112.985586
"1300719"	451.968764	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Cl+CF3COOH"	148.962264
"1378880"	267.993824	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H-2H2O"	-35.012676
"1397472"	286.0038	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H-H2O"	-17.0027
"292782"	607.020276	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+H"	1.007276
"684112"	910.026776	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+H"	1.007276
"1357181"	304.013776	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H"	1.007276
"136630"	304.013776	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+2H"	2.014552
"571819"	455.517026	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+2H"	2.014552
"1044991"	152.510526	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2H"	2.014552
"211799"	203.011609333333	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+3H"	3.021828
"649173"	304.013776	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+3H"	3.021828
"1165109"	102.009442666667	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+3H"	3.021828
"428384"	624.046823	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+NH4"	18.033823
"798133"	927.053323	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+NH4"	18.033823
"1692282"	321.040323	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+NH4"	18.033823
"338374"	312.5270495	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+H+NH4"	19.041099
"730792"	464.0302995	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+H+NH4"	19.041099
"1486798"	161.0237995	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H+NH4"	19.041099
"400011"	629.002218	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+Na"	22.989218
"765380"	932.008718	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+Na"	22.989218
"1608012"	325.995718	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Na"	22.989218
"325703"	315.004747	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+H+Na"	23.996494
"718123"	466.507997	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+H+Na"	23.996494
"1471944"	163.501497	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H+Na"	23.996494
"1063004"	109.336756666667	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2H+Na"	25.00377
"1266872"	336.039986	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+CH3OH+H"	33.033486
"386540"	644.976158	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+K"	38.963158
"747536"	947.982658	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+K"	38.963158
"1549587"	341.969658	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+K"	38.963158
"308950"	322.991717	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+H+K"	39.970434
"701373"	474.494967	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+H+K"	39.970434
"1453008"	171.488467	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H+K"	39.970434
"237238"	648.046826	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+ACN+H"	42.033826
"1210426"	345.040326	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+ACN+H"	42.033826
"1196747"	173.023801	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+ACN+2H"	43.041102
"189738"	650.98416	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+2Na-H"	44.97116
"630272"	953.99066	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+2Na-H"	44.97116
"1140709"	347.97766	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2Na-H"	44.97116
"182906"	325.995718	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+2Na"	45.978436
"626477"	477.498968	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+2Na"	45.978436
"1128161"	174.492468	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2Na"	45.978436
"1413508"	116.664070666667	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H+2Na"	46.985712
"1440520"	350.019246	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H+HCOOH"	47.012746
"226934"	331.02874	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+3H2O+2H"	56.04448
"1521557"	364.07129	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+IsoProp+H"	61.06479
"422338"	333.982688	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+Na+K"	61.952376
"780779"	485.485938	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+Na+K"	61.952376
"1677480"	182.479438	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Na+K"	61.952376
"258533"	670.028768	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+ACN+Na"	64.015768
"1234524"	367.022268	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+ACN+Na"	64.015768
"1725598"	367.045793	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+NH4+HCOOH"	64.039293
"1182567"	123.991384666667	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+3Na"	68.967654
"1652094"	372.001188	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Na+HCOOH"	68.994688
"158348"	682.93204	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+2K-H"	76.91904
"599366"	985.93854	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+2K-H"	76.91904
"1087399"	379.92554	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2K-H"	76.91904
"144217"	341.969658	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"2M+2K"	77.926316
"585962"	493.472908	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"3M+2K"	77.926316
"1071568"	190.466408	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2K"	77.926316
"1103683"	381.940092	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2K+H"	78.933592
"1340069"	382.027707	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+DMSO+H"	79.021207
"1007867"	386.066876	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2ACN+H"	83.060376
"1526731"	387.060508	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+IsoProp+Na+H"	84.054008
"998650"	193.537076	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+2ACN+2H"	84.067652
"1592059"	387.975128	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+K+HCOOH"	84.968628
"1418813"	418.006638	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+H+CF3COOH"	115.000138
"1155663"	214.050351	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+3ACN+2H"	125.094202
"1704121"	435.033185	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+NH4+CF3COOH"	132.026685
"1646334"	439.98858	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+Na+CF3COOH"	136.98208
"1575424"	455.96252	"C14206"	"M1;2-(((35-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid"	"C12H11Cl2NO4"	"303.0065"	"M+K+CF3COOH"	152.95602
"811259"	259.0167	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M"	0
"979328"	239.99831	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-H2O-H"	-19.01839
"68667"	171.670524	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M-3H"	-3.021828
"506041"	258.009424	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M-3H"	-3.021828
"881407"	85.331624	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-3H"	-3.021828
"956"	258.009424	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M-2H"	-2.014552
"441245"	387.517774	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M-2H"	-2.014552
"819051"	128.501074	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-2H"	-2.014552
"79407"	517.026124	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M-H"	-1.007276
"529177"	776.042824	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M-H"	-1.007276
"903699"	258.009424	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-H"	-1.007276
"54794"	534.052671	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M-2H+NH4"	16.019271
"491074"	793.069371	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M-2H+NH4"	16.019271
"875437"	275.035971	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-2H+NH4"	16.019271
"34591"	539.008066	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M-2H+Na"	20.974666
"480710"	798.024766	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M-2H+Na"	20.974666
"855232"	279.991366	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-2H+Na"	20.974666
"1629138"	279.991366	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Na-2H"	20.974666
"102386"	275.997763	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M-H+Cl"	33.962126
"540853"	405.506113	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M-H+Cl"	33.962126
"928900"	146.489413	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-H+Cl"	33.962126
"270736"	553.002802	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+Cl"	34.969402
"663158"	812.019502	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+Cl"	34.969402
"1283222"	293.986102	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Cl"	34.969402
"26872"	554.982006	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M-2H+K"	36.948606
"466430"	813.998706	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M-2H+K"	36.948606
"842046"	295.965306	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-2H+K"	36.948606
"1563711"	295.965306	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+K-2H"	36.948606
"951967"	304.014894	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-H+HCOOH"	44.998194
"366532"	563.031601	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+HCOOH-H"	44.998201
"351145"	577.047251	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+Hac-H"	59.013851
"1497793"	318.030551	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Hac-H"	59.013851
"967523"	325.996851	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-H+NaCOOH"	66.980151
"119345"	293.986102	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+2Cl"	69.938804
"560365"	423.494452	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+2Cl"	69.938804
"1036093"	164.477752	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2Cl"	69.938804
"1252025"	337.935585	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Br"	78.918885
"1315565"	339.991572	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Cl+HCOOH"	80.974872
"1330875"	361.973529	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Cl+NaCOOH"	102.956829
"921933"	372.002286	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M-H+CF3COOH"	112.985586
"1300829"	407.978964	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Cl+CF3COOH"	148.962264
"1377897"	224.004024	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H-2H2O"	-35.012676
"1387737"	242.014	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H-H2O"	-17.0027
"286331"	519.040676	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+H"	1.007276
"684222"	778.057376	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+H"	1.007276
"1352916"	260.023976	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H"	1.007276
"135647"	260.023976	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+2H"	2.014552
"571927"	389.532326	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+2H"	2.014552
"1040728"	130.515626	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2H"	2.014552
"205348"	173.685076	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+3H"	3.021828
"646366"	260.023976	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+3H"	3.021828
"1164490"	87.346176	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+3H"	3.021828
"426308"	536.067223	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+NH4"	18.033823
"798243"	795.083923	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+NH4"	18.033823
"1691299"	277.050523	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+NH4"	18.033823
"337391"	268.5372495	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+H+NH4"	19.041099
"728715"	398.0455995	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+H+NH4"	19.041099
"1485086"	139.0288995	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H+NH4"	19.041099
"400121"	541.022618	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+Na"	22.989218
"762210"	800.039318	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+Na"	22.989218
"1608850"	282.005918	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Na"	22.989218
"325812"	271.014947	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+H+Na"	23.996494
"718233"	400.523297	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+H+Na"	23.996494
"1472054"	141.506597	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H+Na"	23.996494
"1059834"	94.67349	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2H+Na"	25.00377
"1263701"	292.050186	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+CH3OH+H"	33.033486
"383369"	556.996558	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+K"	38.963158
"739625"	816.013258	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+K"	38.963158
"1547510"	297.979858	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+K"	38.963158
"304687"	279.001917	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+H+K"	39.970434
"698203"	408.510267	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+H+K"	39.970434
"1452024"	149.493567	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H+K"	39.970434
"236617"	560.067226	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+ACN+H"	42.033826
"1210048"	301.050526	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+ACN+H"	42.033826
"1195884"	151.028901	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+ACN+2H"	43.041102
"188683"	563.00456	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+2Na-H"	44.97116
"629076"	822.02126	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+2Na-H"	44.97116
"1140819"	303.98786	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2Na-H"	44.97116
"181923"	282.005918	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+2Na"	45.978436
"621484"	411.514268	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+2Na"	45.978436
"1124990"	152.497568	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2Na"	45.978436
"1410701"	102.000804	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H+2Na"	46.985712
"1435163"	306.029446	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H+HCOOH"	47.012746
"227044"	287.03894	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+3H2O+2H"	56.04448
"1522761"	320.08149	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+IsoProp+H"	61.06479
"421354"	289.992888	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+Na+K"	61.952376
"778702"	419.501238	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+Na+K"	61.952376
"1673214"	160.484538	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Na+K"	61.952376
"258643"	582.049168	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+ACN+Na"	64.015768
"1234634"	323.032468	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+ACN+Na"	64.015768
"1723521"	323.055993	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+NH4+HCOOH"	64.039293
"1180125"	109.328118	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+3Na"	68.967654
"1651839"	328.011388	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Na+HCOOH"	68.994688
"160524"	594.95244	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+2K-H"	76.91904
"600084"	853.96914	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+2K-H"	76.91904
"1086413"	335.93574	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2K-H"	76.91904
"144326"	297.979858	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"2M+2K"	77.926316
"583884"	427.488208	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"3M+2K"	77.926316
"1070585"	168.471508	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2K"	77.926316
"1103793"	337.950292	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2K+H"	78.933592
"1338357"	338.037907	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+DMSO+H"	79.021207
"1009070"	342.077076	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2ACN+H"	83.060376
"1527934"	343.070708	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+IsoProp+Na+H"	84.054008
"995480"	171.542176	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+2ACN+2H"	84.067652
"1592169"	343.985328	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+K+HCOOH"	84.968628
"1417830"	374.016838	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+H+CF3COOH"	115.000138
"1155773"	192.055451	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+3ACN+2H"	125.094202
"1704231"	391.043385	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+NH4+CF3COOH"	132.026685
"1646444"	395.99878	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+Na+CF3COOH"	136.98208
"1575534"	411.97272	"C14207"	"M2;N-(35-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide;35-Dichloro-2-hydroxy-2-methylbut-3-enanilide"	"C11H11Cl2NO2"	"259.0167"	"M+K+CF3COOH"	152.95602
"810276"	326.2246	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M"	0
"988186"	307.20621	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-H2O-H"	-19.01839
"72055"	216.475790666667	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M-3H"	-3.021828
"505053"	325.217324	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M-3H"	-3.021828
"889422"	107.734257333333	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-3H"	-3.021828
"7996"	325.217324	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M-2H"	-2.014552
"442454"	488.329624	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M-2H"	-2.014552
"820985"	162.105024	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-2H"	-2.014552
"90456"	651.441924	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M-H"	-1.007276
"527103"	977.666524	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M-H"	-1.007276
"908185"	325.217324	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-H"	-1.007276
"58187"	668.468471	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M-2H+NH4"	16.019271
"498840"	994.693071	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M-2H+NH4"	16.019271
"870080"	342.243871	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-2H+NH4"	16.019271
"43447"	673.423866	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M-2H+Na"	20.974666
"474260"	999.648466	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M-2H+Na"	20.974666
"856436"	347.199266	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-2H+Na"	20.974666
"1627064"	347.199266	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Na-2H"	20.974666
"103591"	343.205663	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M-H+Cl"	33.962126
"540963"	506.317963	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M-H+Cl"	33.962126
"932292"	180.093363	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-H+Cl"	33.962126
"271212"	687.418602	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+Cl"	34.969402
"664363"	1013.643202	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+Cl"	34.969402
"1280052"	361.194002	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Cl"	34.969402
"24796"	689.397806	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M-2H+K"	36.948606
"464357"	1015.622406	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M-2H+K"	36.948606
"838879"	363.173206	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-2H+K"	36.948606
"1560181"	363.173206	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+K-2H"	36.948606
"952441"	371.222794	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-H+HCOOH"	44.998194
"370292"	697.447401	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+HCOOH-H"	44.998201
"354174"	711.463051	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+Hac-H"	59.013851
"1508114"	385.238451	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Hac-H"	59.013851
"972374"	393.204751	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-H+NaCOOH"	66.980151
"119459"	361.194002	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+2Cl"	69.938804
"556103"	524.306302	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+2Cl"	69.938804
"1029276"	198.081702	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2Cl"	69.938804
"1246667"	405.143485	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Br"	78.918885
"1314583"	407.199472	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Cl+HCOOH"	80.974872
"1326612"	429.181429	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Cl+NaCOOH"	102.956829
"917669"	439.210186	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M-H+CF3COOH"	112.985586
"1292190"	475.186864	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Cl+CF3COOH"	148.962264
"1373632"	291.211924	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H-2H2O"	-35.012676
"1384567"	309.2219	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H-H2O"	-17.0027
"286442"	653.456476	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+H"	1.007276
"679959"	979.681076	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+H"	1.007276
"1354122"	327.231876	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H"	1.007276
"127011"	327.231876	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+2H"	2.014552
"566692"	490.344176	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+2H"	2.014552
"1037076"	164.119576	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2H"	2.014552
"204845"	218.490342666667	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+3H"	3.021828
"644476"	327.231876	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+3H"	3.021828
"1163266"	109.748809333333	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+3H"	3.021828
"436996"	670.483023	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+NH4"	18.033823
"798356"	996.707623	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+NH4"	18.033823
"1691409"	344.258423	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+NH4"	18.033823
"340416"	335.7451495	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+H+NH4"	19.041099
"729922"	498.8574495	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+H+NH4"	19.041099
"1482282"	172.6328495	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H+NH4"	19.041099
"399139"	675.438418	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+Na"	22.989218
"758675"	1001.663018	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+Na"	22.989218
"1607137"	349.213818	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Na"	22.989218
"320454"	338.222847	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+H+Na"	23.996494
"713969"	501.335147	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+H+Na"	23.996494
"1468884"	175.110547	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H+Na"	23.996494
"1058122"	117.076123333333	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2H+Na"	25.00377
"1265998"	359.258086	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+CH3OH+H"	33.033486
"384574"	691.412358	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+K"	38.963158
"743384"	1017.636958	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+K"	38.963158
"1548718"	365.187758	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+K"	38.963158
"304799"	346.209817	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+H+K"	39.970434
"699407"	509.322117	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+H+K"	39.970434
"1447031"	183.097517	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H+K"	39.970434
"237094"	694.483026	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+ACN+H"	42.033826
"1217825"	368.258426	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+ACN+H"	42.033826
"1200249"	184.632851	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+ACN+2H"	43.041102
"194578"	697.42036	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+2Na-H"	44.97116
"637422"	1023.64496	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+2Na-H"	44.97116
"1140930"	371.19576	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2Na-H"	44.97116
"179846"	349.213818	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+2Na"	45.978436
"620500"	512.326118	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+2Na"	45.978436
"1129839"	186.101518	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2Na"	45.978436
"1410810"	124.403437333333	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H+2Na"	46.985712
"1441468"	373.237346	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H+HCOOH"	47.012746
"233350"	354.24684	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+3H2O+2H"	56.04448
"1516312"	387.28939	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+IsoProp+H"	61.06479
"423289"	357.200788	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+Na+K"	61.952376
"783552"	520.313088	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+Na+K"	61.952376
"1675511"	194.088488	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Na+K"	61.952376
"258024"	716.464968	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+ACN+Na"	64.015768
"1236931"	390.240368	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+ACN+Na"	64.015768
"1724725"	390.263893	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+NH4+HCOOH"	64.039293
"1184975"	131.730751333333	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+3Na"	68.967654
"1657784"	395.219288	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Na+HCOOH"	68.994688
"159906"	729.36824	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+2K-H"	76.91904
"598734"	1055.59284	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+2K-H"	76.91904
"1084826"	403.14364	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2K-H"	76.91904
"142614"	365.187758	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"2M+2K"	77.926316
"585092"	528.300058	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"3M+2K"	77.926316
"1071790"	202.075458	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2K"	77.926316
"1103907"	405.158192	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2K+H"	78.933592
"1338466"	405.245807	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+DMSO+H"	79.021207
"1006874"	409.284976	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2ACN+H"	83.060376
"1534610"	410.278608	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+IsoProp+Na+H"	84.054008
"992310"	205.146126	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+2ACN+2H"	84.067652
"1594469"	411.193228	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+K+HCOOH"	84.968628
"1423410"	441.224738	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+H+CF3COOH"	115.000138
"1156978"	225.659401	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+3ACN+2H"	125.094202
"1703250"	458.251285	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+NH4+CF3COOH"	132.026685
"1643274"	463.20668	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+Na+CF3COOH"	136.98208
"1574551"	479.18062	"C14208"	"Promegestone"	"C22H30O2"	"326.2246"	"M+K+CF3COOH"	152.95602
"811479"	288.1725	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M"	0
"981731"	269.15411	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H2O-H"	-19.01839
"68882"	191.107724	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-3H"	-3.021828
"505165"	287.165224	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-3H"	-3.021828
"886251"	95.050224	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-3H"	-3.021828
"9200"	287.165224	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H"	-2.014552
"443293"	431.251474	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H"	-2.014552
"820002"	143.078974	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H"	-2.014552
"92389"	575.337724	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-H"	-1.007276
"532316"	863.510224	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-H"	-1.007276
"910241"	287.165224	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H"	-1.007276
"53922"	592.364271	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H+NH4"	16.019271
"497857"	880.536771	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H+NH4"	16.019271
"870190"	304.191771	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H+NH4"	16.019271
"41371"	597.319666	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H+Na"	20.974666
"477650"	885.492166	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H+Na"	20.974666
"857639"	309.147166	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H+Na"	20.974666
"1627174"	309.147166	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na-2H"	20.974666
"101514"	305.153563	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-H+Cl"	33.962126
"545448"	449.239813	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-H+Cl"	33.962126
"935682"	161.067313	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+Cl"	33.962126
"270229"	611.314402	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Cl"	34.969402
"664473"	899.486902	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+Cl"	34.969402
"1277973"	323.141902	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl"	34.969402
"24907"	613.293606	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M-2H+K"	36.948606
"463373"	901.466106	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M-2H+K"	36.948606
"837896"	325.121106	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-2H+K"	36.948606
"1562476"	325.121106	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K-2H"	36.948606
"951456"	333.170694	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+HCOOH"	44.998194
"369673"	621.343201	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+HCOOH-H"	44.998201
"353555"	635.358851	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Hac-H"	59.013851
"1499108"	347.186351	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Hac-H"	59.013851
"966651"	355.152651	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+NaCOOH"	66.980151
"119569"	323.141902	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2Cl"	69.938804
"555120"	467.228152	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2Cl"	69.938804
"1029386"	179.055652	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2Cl"	69.938804
"1251151"	367.091385	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Br"	78.918885
"1319557"	369.147372	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl+HCOOH"	80.974872
"1326722"	391.129329	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl+NaCOOH"	102.956829
"917781"	401.158086	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M-H+CF3COOH"	112.985586
"1294488"	437.134764	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Cl+CF3COOH"	148.962264
"1370462"	253.159824	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H-2H2O"	-35.012676
"1385041"	271.1698	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H-H2O"	-17.0027
"284000"	577.352276	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H"	1.007276
"683349"	865.524776	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H"	1.007276
"1355325"	289.179776	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H"	1.007276
"130402"	289.179776	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2H"	2.014552
"566682"	433.266026	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2H"	2.014552
"1038759"	145.093526	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2H"	2.014552
"204832"	193.122276	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+3H"	3.021828
"644345"	289.179776	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+3H"	3.021828
"1163009"	97.064776	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+3H"	3.021828
"437470"	594.378823	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+NH4"	18.033823
"799197"	882.551323	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+NH4"	18.033823
"1691520"	306.206323	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+NH4"	18.033823
"338704"	297.6930495	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H+NH4"	19.041099
"732219"	441.7792995	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H+NH4"	19.041099
"1483851"	153.6067995	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+NH4"	19.041099
"399249"	599.334218	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Na"	22.989218
"758785"	887.506718	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+Na"	22.989218
"1605790"	311.161718	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na"	22.989218
"318377"	300.170747	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H+Na"	23.996494
"714079"	444.256997	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H+Na"	23.996494
"1468995"	156.084497	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+Na"	23.996494
"1056775"	104.39209	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2H+Na"	25.00377
"1262828"	321.205986	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+CH3OH+H"	33.033486
"382497"	615.308158	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+K"	38.963158
"744587"	903.480658	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+K"	38.963158
"1548828"	327.135658	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K"	38.963158
"302723"	308.157717	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+H+K"	39.970434
"698424"	452.243967	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+H+K"	39.970434
"1447871"	164.071467	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+K"	39.970434
"239756"	618.378826	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+ACN+H"	42.033826
"1216842"	330.206326	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+ACN+H"	42.033826
"1197443"	165.606801	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+ACN+2H"	43.041102
"195053"	621.31616	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2Na-H"	44.97116
"637532"	909.48866	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2Na-H"	44.97116
"1141040"	333.14366	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2Na-H"	44.97116
"182143"	311.161718	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2Na"	45.978436
"620610"	455.247968	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2Na"	45.978436
"1130560"	167.075468	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2Na"	45.978436
"1412013"	111.719404	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+2Na"	46.985712
"1440485"	335.185246	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+HCOOH"	47.012746
"233824"	316.19474	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+3H2O+2H"	56.04448
"1521525"	349.23729	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+IsoProp+H"	61.06479
"422671"	319.148688	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+Na+K"	61.952376
"782568"	463.234938	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+Na+K"	61.952376
"1675622"	175.062438	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na+K"	61.952376
"258863"	640.360768	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+ACN+Na"	64.015768
"1240076"	352.188268	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+ACN+Na"	64.015768
"1723741"	352.211793	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+NH4+HCOOH"	64.039293
"1185449"	119.046718	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+3Na"	68.967654
"1656801"	357.167188	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na+HCOOH"	68.994688
"158923"	653.26404	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2K-H"	76.91904
"601033"	941.43654	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2K-H"	76.91904
"1087004"	365.09154	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2K-H"	76.91904
"143454"	327.135658	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"2M+2K"	77.926316
"581922"	471.221908	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"3M+2K"	77.926316
"1071900"	183.049408	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2K"	77.926316
"1101831"	367.106092	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2K+H"	78.933592
"1339304"	367.193707	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+DMSO+H"	79.021207
"1006499"	371.232876	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2ACN+H"	83.060376
"1536543"	372.226508	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+IsoProp+Na+H"	84.054008
"998981"	186.120076	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+2ACN+2H"	84.067652
"1598953"	373.141128	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K+HCOOH"	84.968628
"1424614"	403.172638	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+H+CF3COOH"	115.000138
"1155994"	206.633351	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+3ACN+2H"	125.094202
"1705547"	420.199185	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+NH4+CF3COOH"	132.026685
"1646664"	425.15458	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+Na+CF3COOH"	136.98208
"1581222"	441.12852	"C14209"	"4-Hydroxyestradiol-17beta;4-OH-Estradiol"	"C18H24O3"	"288.1725"	"M+K+CF3COOH"	152.95602
"811589"	290.2246	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M"	0
"980748"	271.20621	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"68992"	192.475790666667	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"504181"	289.217324	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"886361"	95.7342573333333	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"9310"	289.217324	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"445590"	434.329624	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"819383"	144.105024	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"92257"	579.441924	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"531333"	869.666524	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"907921"	289.217324	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"55125"	596.468471	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"497967"	886.693071	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"869207"	306.243871	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"38200"	601.423866	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"477760"	891.648466	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"856656"	311.199266	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1626191"	311.199266	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"101624"	307.205663	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"546287"	452.317963	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"933606"	162.093363	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"272161"	615.418602	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"666768"	905.643202	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1279174"	325.194002	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"27203"	617.397806	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"460202"	907.622406	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"836180"	327.173206	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1562586"	327.173206	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"945728"	335.222794	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"366498"	625.447401	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"349290"	639.463051	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1500310"	349.238451	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"960561"	357.204751	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"116763"	325.194002	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"553041"	470.306302	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1024028"	180.081702	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1242268"	369.143485	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1308241"	371.199472	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1320633"	393.181429	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"913514"	403.210186	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1291316"	439.186864	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1368384"	255.211924	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1383692"	273.2219	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"284475"	581.456476	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"681272"	871.681076	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1355435"	291.231876	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"131605"	291.231876	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"568978"	436.344176	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1042147"	146.119576	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"205187"	194.490342666667	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"644504"	291.231876	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1165918"	97.7488093333333	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"434298"	598.483023	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"796390"	888.707623	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1691629"	308.258423	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"339907"	299.7451495	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"734516"	444.8574495	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1485054"	154.6328495	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"397900"	603.438418	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"759261"	893.663018	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1613921"	313.213818	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"320677"	302.222847	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"719658"	447.335147	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1471294"	157.110547	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1056157"	105.076123333333	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1265127"	323.258086	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"384794"	619.412358	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"749072"	909.636958	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1551127"	329.187758	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"308302"	310.209817	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"695257"	455.322117	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1449076"	165.097517	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"236951"	622.483026	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1216952"	332.258426	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1203025"	166.632851	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"202583"	625.42036	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"643930"	915.64496	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1141150"	335.19576	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"185171"	313.213818	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"624001"	458.326118	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1128238"	168.101518	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1412247"	112.403437333333	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1445342"	337.237346	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"235037"	318.24684	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1523703"	351.28939	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"423388"	321.200788	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"782678"	466.313088	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1675733"	176.088488	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"265531"	644.464968	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1232774"	354.240368	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1720568"	354.263893	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1183372"	119.730751333333	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1652171"	359.219288	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"157287"	657.36824	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"598227"	947.59284	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1087841"	367.14364	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"144655"	329.187758	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"585308"	474.300058	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1072007"	184.075458	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1103032"	369.158192	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1338320"	369.245807	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1008308"	373.284976	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1527162"	374.278608	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"996904"	187.146126	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1591406"	375.193228	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1419253"	405.224738	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1152824"	207.659401	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1704562"	422.251285	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1640211"	427.20668	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1581332"	443.18062	"C14210"	"4-Androstenediol;Androst-4-ene-3beta17beta-diol"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"811699"	312.1362	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M"	0
"981951"	293.11781	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-H2O-H"	-19.01839
"70195"	207.083524	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M-3H"	-3.021828
"517417"	311.128924	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M-3H"	-3.021828
"893032"	103.038124	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-3H"	-3.021828
"10515"	311.128924	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M-2H"	-2.014552
"451169"	467.197024	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M-2H"	-2.014552
"822410"	155.060824	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-2H"	-2.014552
"94121"	623.265124	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M-H"	-1.007276
"530714"	935.401324	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M-H"	-1.007276
"910826"	311.128924	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-H"	-1.007276
"59610"	640.291671	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M-2H+NH4"	16.019271
"499171"	952.427871	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M-2H+NH4"	16.019271
"873692"	328.155471	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-2H+NH4"	16.019271
"38312"	645.247066	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M-2H+Na"	20.974666
"481153"	957.383266	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M-2H+Na"	20.974666
"856767"	333.110866	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-2H+Na"	20.974666
"1628487"	333.110866	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Na-2H"	20.974666
"100641"	329.117263	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M-H+Cl"	33.962126
"545304"	485.185363	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M-H+Cl"	33.962126
"929344"	173.049163	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-H+Cl"	33.962126
"268386"	659.241802	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+Cl"	34.969402
"672355"	971.378002	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+Cl"	34.969402
"1283667"	347.105602	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Cl"	34.969402
"25128"	661.221006	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M-2H+K"	36.948606
"463594"	973.357206	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M-2H+K"	36.948606
"842490"	349.084806	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-2H+K"	36.948606
"1564884"	349.084806	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+K-2H"	36.948606
"948392"	357.134394	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-H+HCOOH"	44.998194
"373903"	669.270601	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+HCOOH-H"	44.998201
"355963"	683.286251	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+Hac-H"	59.013851
"1499329"	371.150051	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Hac-H"	59.013851
"963591"	379.116351	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-H+NaCOOH"	66.980151
"111404"	347.105602	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+2Cl"	69.938804
"551688"	503.173702	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+2Cl"	69.938804
"1023409"	191.037502	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2Cl"	69.938804
"1242257"	391.055085	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Br"	78.918885
"1308351"	393.111072	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Cl+HCOOH"	80.974872
"1321471"	415.093029	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Cl+NaCOOH"	102.956829
"913624"	425.121786	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M-H+CF3COOH"	112.985586
"1292522"	461.098464	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Cl+CF3COOH"	148.962264
"1372872"	277.123524	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H-2H2O"	-35.012676
"1392556"	295.1335	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H-H2O"	-17.0027
"290056"	625.279676	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+H"	1.007276
"680291"	937.415876	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+H"	1.007276
"1361013"	313.143476	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H"	1.007276
"126123"	313.143476	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+2H"	2.014552
"567265"	469.211576	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+2H"	2.014552
"1040073"	157.075376	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2H"	2.014552
"204694"	209.098076	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+3H"	3.021828
"646078"	313.143476	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+3H"	3.021828
"1166757"	105.052676	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+3H"	3.021828
"437690"	642.306223	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+NH4"	18.033823
"798688"	954.442423	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+NH4"	18.033823
"1693926"	330.170023	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+NH4"	18.033823
"344390"	321.6567495	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+H+NH4"	19.041099
"736813"	477.7248495	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+H+NH4"	19.041099
"1485165"	165.5886495	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H+NH4"	19.041099
"397283"	647.261618	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+Na"	22.989218
"762653"	959.397818	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+Na"	22.989218
"1611844"	335.125418	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Na"	22.989218
"325163"	324.134447	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+H+Na"	23.996494
"712480"	480.202547	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+H+Na"	23.996494
"1472497"	168.066347	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H+Na"	23.996494
"1062465"	112.37999	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2H+Na"	25.00377
"1269612"	345.169686	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+CH3OH+H"	33.033486
"387093"	663.235558	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+K"	38.963158
"749182"	975.371758	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+K"	38.963158
"1547956"	351.099358	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+K"	38.963158
"307319"	332.121417	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+H+K"	39.970434
"694273"	488.189517	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+H+K"	39.970434
"1446998"	176.053317	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H+K"	39.970434
"245448"	666.306226	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+ACN+H"	42.033826
"1219251"	354.170026	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+ACN+H"	42.033826
"1204228"	177.588651	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+ACN+2H"	43.041102
"202700"	669.24356	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+2Na-H"	44.97116
"643354"	981.37976	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+2Na-H"	44.97116
"1145400"	357.10736	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2Na-H"	44.97116
"187104"	335.125418	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+2Na"	45.978436
"628009"	491.193518	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+2Na"	45.978436
"1130177"	179.057318	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2Na"	45.978436
"1412842"	119.707304	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H+2Na"	46.985712
"1444237"	359.148946	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H+HCOOH"	47.012746
"234534"	340.15844	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+3H2O+2H"	56.04448
"1522476"	373.20099	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+IsoProp+H"	61.06479
"421795"	343.112388	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+Na+K"	61.952376
"783518"	499.180488	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+Na+K"	61.952376
"1676935"	187.044288	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Na+K"	61.952376
"266370"	688.288168	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+ACN+Na"	64.015768
"1233977"	376.151968	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+ACN+Na"	64.015768
"1720678"	376.175493	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+NH4+HCOOH"	64.039293
"1187130"	127.034618	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+3Na"	68.967654
"1655927"	381.130888	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Na+HCOOH"	68.994688
"163153"	701.19144	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+2K-H"	76.91904
"597366"	1013.32764	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+2K-H"	76.91904
"1089046"	389.05524	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2K-H"	76.91904
"143675"	351.099358	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"2M+2K"	77.926316
"584328"	507.167458	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"3M+2K"	77.926316
"1071027"	195.031258	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2K"	77.926316
"1101441"	391.069792	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2K+H"	78.933592
"1337340"	391.157407	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+DMSO+H"	79.021207
"1010240"	395.196576	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2ACN+H"	83.060376
"1529459"	396.190208	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+IsoProp+Na+H"	84.054008
"990319"	198.101926	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+2ACN+2H"	84.067652
"1589691"	397.104828	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+K+HCOOH"	84.968628
"1420457"	427.136338	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+H+CF3COOH"	115.000138
"1158401"	218.615201	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+3ACN+2H"	125.094202
"1707952"	444.162885	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+NH4+CF3COOH"	132.026685
"1643601"	449.11828	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+Na+CF3COOH"	136.98208
"1581442"	465.09222	"C14211"	"Butylbenzyl phthalate;Butyl phenylmethyl 12-benzenedicarboxylate"	"C19H20O4"	"312.1362"	"M+K+CF3COOH"	152.95602
"811809"	425.2355	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M"	0
"978781"	406.21711	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-H2O-H"	-19.01839
"70305"	282.483057333333	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M-3H"	-3.021828
"505497"	424.228224	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M-3H"	-3.021828
"884390"	140.737890666667	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-3H"	-3.021828
"1144"	424.228224	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M-2H"	-2.014552
"447999"	636.845974	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M-2H"	-2.014552
"820331"	211.610474	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-2H"	-2.014552
"93817"	849.463724	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M-H"	-1.007276
"531675"	1274.699224	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M-H"	-1.007276
"908990"	424.228224	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-H"	-1.007276
"60813"	866.490271	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M-2H+NH4"	16.019271
"499281"	1291.725771	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M-2H+NH4"	16.019271
"873802"	441.254771	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-2H+NH4"	16.019271
"38422"	871.445666	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M-2H+Na"	20.974666
"480170"	1296.681166	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M-2H+Na"	20.974666
"856878"	446.210166	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-2H+Na"	20.974666
"1629691"	446.210166	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Na-2H"	20.974666
"104031"	442.216563	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M-H+Cl"	33.962126
"546143"	654.834313	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M-H+Cl"	33.962126
"930547"	229.598813	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-H+Cl"	33.962126
"268374"	885.440402	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+Cl"	34.969402
"668092"	1310.675902	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+Cl"	34.969402
"1281589"	460.204902	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Cl"	34.969402
"26330"	887.419606	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M-2H+K"	36.948606
"457870"	1312.655106	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M-2H+K"	36.948606
"835307"	462.184106	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-2H+K"	36.948606
"1558067"	462.184106	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+K-2H"	36.948606
"946315"	470.233694	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-H+HCOOH"	44.998194
"364531"	895.469201	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+HCOOH-H"	44.998201
"349508"	909.484851	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+Hac-H"	59.013851
"1496158"	484.249351	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Hac-H"	59.013851
"961513"	492.215651	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-H+NaCOOH"	66.980151
"110413"	460.204902	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+2Cl"	69.938804
"550946"	672.822652	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+2Cl"	69.938804
"1021500"	247.587152	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2Cl"	69.938804
"1242000"	504.154385	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Br"	78.918885
"1304573"	506.210372	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Cl+HCOOH"	80.974872
"1320851"	528.192329	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Cl+NaCOOH"	102.956829
"912640"	538.221086	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M-H+CF3COOH"	112.985586
"1292632"	574.197764	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Cl+CF3COOH"	148.962264
"1372982"	390.222824	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H-2H2O"	-35.012676
"1391573"	408.2328	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H-H2O"	-17.0027
"290166"	851.478276	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+H"	1.007276
"679308"	1276.713776	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+H"	1.007276
"1353468"	426.242776	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H"	1.007276
"126356"	426.242776	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+2H"	2.014552
"567375"	638.860526	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+2H"	2.014552
"1038361"	213.625026	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2H"	2.014552
"205170"	284.497609333333	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+3H"	3.021828
"645824"	426.242776	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+3H"	3.021828
"1165774"	142.752442666667	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+3H"	3.021828
"437680"	868.504823	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+NH4"	18.033823
"800622"	1293.740323	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+NH4"	18.033823
"1694036"	443.269323	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+NH4"	18.033823
"344500"	434.7560495	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+H+NH4"	19.041099
"735830"	647.3737995	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+H+NH4"	19.041099
"1485275"	222.1382995	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H+NH4"	19.041099
"397393"	873.460218	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+Na"	22.989218
"759482"	1298.695718	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+Na"	22.989218
"1608674"	448.224718	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Na"	22.989218
"320898"	437.233747	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+H+Na"	23.996494
"711497"	649.851497	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+H+Na"	23.996494
"1471514"	224.615997	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H+Na"	23.996494
"1062575"	150.079756666667	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2H+Na"	25.00377
"1265347"	458.268986	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+CH3OH+H"	33.033486
"381735"	889.434158	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+K"	38.963158
"749292"	1314.669658	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+K"	38.963158
"1546972"	464.198658	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+K"	38.963158
"301961"	445.220717	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+H+K"	39.970434
"695475"	657.838467	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+H+K"	39.970434
"1447108"	232.602967	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H+K"	39.970434
"243369"	892.504826	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+ACN+H"	42.033826
"1219361"	467.269326	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+ACN+H"	42.033826
"1204338"	234.138301	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+ACN+2H"	43.041102
"202931"	895.44216	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+2Na-H"	44.97116
"643831"	1320.67766	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+2Na-H"	44.97116
"1145989"	470.20666	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2Na-H"	44.97116
"186120"	448.224718	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+2Na"	45.978436
"628121"	660.842468	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+2Na"	45.978436
"1130165"	235.606968	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2Na"	45.978436
"1412589"	157.407070666667	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H+2Na"	46.985712
"1444341"	472.248246	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H+HCOOH"	47.012746
"234401"	453.25774	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+3H2O+2H"	56.04448
"1521737"	486.30029	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+IsoProp+H"	61.06479
"422637"	456.211688	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+Na+K"	61.952376
"783628"	668.829438	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+Na+K"	61.952376
"1678139"	243.593938	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Na+K"	61.952376
"266117"	914.486768	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+ACN+Na"	64.015768
"1232994"	489.251268	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+ACN+Na"	64.015768
"1723339"	489.274793	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+NH4+HCOOH"	64.039293
"1187240"	164.734384666667	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+3Na"	68.967654
"1655672"	494.230188	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Na+HCOOH"	68.994688
"159253"	927.39004	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+2K-H"	76.91904
"599176"	1352.62554	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+2K-H"	76.91904
"1088062"	502.15454	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2K-H"	76.91904
"143784"	464.198658	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"2M+2K"	77.926316
"582737"	676.816408	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"3M+2K"	77.926316
"1073323"	251.580908	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2K"	77.926316
"1101186"	504.169092	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2K+H"	78.933592
"1339268"	504.256707	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+DMSO+H"	79.021207
"1008528"	508.295876	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2ACN+H"	83.060376
"1526290"	509.289508	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+IsoProp+Na+H"	84.054008
"991646"	254.651576	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+2ACN+2H"	84.067652
"1589437"	510.204128	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+K+HCOOH"	84.968628
"1421660"	540.235638	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+H+CF3COOH"	115.000138
"1157418"	275.164851	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+3ACN+2H"	125.094202
"1706969"	557.262185	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+NH4+CF3COOH"	132.026685
"1643711"	562.21758	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+Na+CF3COOH"	136.98208
"1581552"	578.19152	"C14212"	"Nafoxidine"	"C29H31NO2"	"425.2355"	"M+K+CF3COOH"	152.95602
"815202"	290.0943	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M"	0
"982172"	271.07591	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-H2O-H"	-19.01839
"77708"	192.388924	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M-3H"	-3.021828
"505607"	289.087024	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M-3H"	-3.021828
"884500"	95.690824	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-3H"	-3.021828
"12920"	289.087024	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M-2H"	-2.014552
"452485"	434.134174	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M-2H"	-2.014552
"831262"	144.039874	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-2H"	-2.014552
"92957"	579.181324	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M-H"	-1.007276
"533492"	869.275624	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M-H"	-1.007276
"909224"	289.087024	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-H"	-1.007276
"61534"	596.207871	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M-2H+NH4"	16.019271
"496109"	886.302171	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M-2H+NH4"	16.019271
"872819"	306.113571	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-2H+NH4"	16.019271
"41815"	601.163266	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M-2H+Na"	20.974666
"477000"	891.257566	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M-2H+Na"	20.974666
"854802"	311.068966	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-2H+Na"	20.974666
"1623241"	311.068966	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Na-2H"	20.974666
"100864"	307.075363	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M-H+Cl"	33.962126
"547713"	452.122513	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M-H+Cl"	33.962126
"937221"	162.028213	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-H+Cl"	33.962126
"277965"	615.158002	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+Cl"	34.969402
"666017"	905.252302	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+Cl"	34.969402
"1280607"	325.063702	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Cl"	34.969402
"20976"	617.137206	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M-2H+K"	36.948606
"460534"	907.231506	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M-2H+K"	36.948606
"838336"	327.042906	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-2H+K"	36.948606
"1558906"	327.042906	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+K-2H"	36.948606
"950799"	335.092494	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-H+HCOOH"	44.998194
"367926"	625.186801	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+HCOOH-H"	44.998201
"355090"	639.202451	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+Hac-H"	59.013851
"1495176"	349.108151	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Hac-H"	59.013851
"961624"	357.074451	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-H+NaCOOH"	66.980151
"110896"	325.063702	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+2Cl"	69.938804
"550450"	470.110852	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+2Cl"	69.938804
"1023267"	180.016552	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2Cl"	69.938804
"1243939"	369.013185	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Br"	78.918885
"1307479"	371.069172	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Cl+HCOOH"	80.974872
"1322789"	393.051129	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Cl+NaCOOH"	102.956829
"913848"	403.079886	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M-H+CF3COOH"	112.985586
"1297118"	439.056564	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Cl+CF3COOH"	148.962264
"1376373"	255.081624	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H-2H2O"	-35.012676
"1392777"	273.0916	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H-H2O"	-17.0027
"290277"	581.195876	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+H"	1.007276
"678323"	871.290176	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+H"	1.007276
"1356859"	291.101576	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H"	1.007276
"129748"	291.101576	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+2H"	2.014552
"568580"	436.148726	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+2H"	2.014552
"1038472"	146.054426	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2H"	2.014552
"215855"	194.403476	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+3H"	3.021828
"646665"	291.101576	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+3H"	3.021828
"1170259"	97.705376	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+3H"	3.021828
"437550"	598.222423	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+NH4"	18.033823
"795631"	888.316723	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+NH4"	18.033823
"1694148"	308.128123	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+NH4"	18.033823
"343520"	299.6148495	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+H+NH4"	19.041099
"735576"	444.6619995	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+H+NH4"	19.041099
"1485388"	154.5676995	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H+NH4"	19.041099
"400784"	603.177818	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+Na"	22.989218
"762874"	893.272118	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+Na"	22.989218
"1612065"	313.083518	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Na"	22.989218
"324289"	302.092547	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+H+Na"	23.996494
"715618"	447.139697	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+H+Na"	23.996494
"1469438"	157.045397	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H+Na"	23.996494
"1059405"	105.03269	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2H+Na"	25.00377
"1258895"	323.127786	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+CH3OH+H"	33.033486
"381841"	619.151758	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+K"	38.963158
"742840"	909.246058	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+K"	38.963158
"1540048"	329.057458	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+K"	38.963158
"298778"	310.079517	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+H+K"	39.970434
"692422"	455.126667	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+H+K"	39.970434
"1445793"	165.032367	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H+K"	39.970434
"240197"	622.222426	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+ACN+H"	42.033826
"1214000"	332.128126	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+ACN+H"	42.033826
"1200075"	166.567701	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+ACN+2H"	43.041102
"203853"	625.15976	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+2Na-H"	44.97116
"644088"	915.25406	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+2Na-H"	44.97116
"1146601"	335.06546	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2Na-H"	44.97116
"188190"	313.083518	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+2Na"	45.978436
"627749"	458.130668	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+2Na"	45.978436
"1131090"	168.036368	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2Na"	45.978436
"1413793"	112.360004	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H+2Na"	46.985712
"1444936"	337.107046	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H+HCOOH"	47.012746
"235121"	318.11654	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+3H2O+2H"	56.04448
"1519779"	351.15909	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+IsoProp+H"	61.06479
"423847"	321.070488	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+Na+K"	61.952376
"785088"	466.117638	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+Na+K"	61.952376
"1680683"	176.023338	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Na+K"	61.952376
"266917"	644.204368	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+ACN+Na"	64.015768
"1236386"	354.110068	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+ACN+Na"	64.015768
"1720170"	354.133593	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+NH4+HCOOH"	64.039293
"1185164"	119.687318	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+3Na"	68.967654
"1658338"	359.088988	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Na+HCOOH"	68.994688
"166290"	657.10764	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+2K-H"	76.91904
"601111"	947.20194	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+2K-H"	76.91904
"1089268"	367.01334	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2K-H"	76.91904
"146083"	329.057458	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"2M+2K"	77.926316
"586735"	474.104608	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"3M+2K"	77.926316
"1075620"	184.010308	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2K"	77.926316
"1103725"	369.027892	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2K+H"	78.933592
"1337681"	369.115507	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+DMSO+H"	79.021207
"1009003"	373.154676	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2ACN+H"	83.060376
"1527500"	374.148308	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+IsoProp+Na+H"	84.054008
"991267"	187.080976	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+2ACN+2H"	84.067652
"1595017"	375.062928	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+K+HCOOH"	84.968628
"1423960"	405.094438	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+H+CF3COOH"	115.000138
"1158621"	207.594251	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+3ACN+2H"	125.094202
"1708174"	422.120985	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+NH4+CF3COOH"	132.026685
"1640543"	427.07638	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+Na+CF3COOH"	136.98208
"1581662"	443.05032	"C14213"	"Aurin"	"C19H14O3"	"290.0943"	"M+K+CF3COOH"	152.95602
"812030"	278.1518	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M"	0
"980094"	259.13341	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-H2O-H"	-19.01839
"70525"	184.427257333333	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M-3H"	-3.021828
"508996"	277.144524	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M-3H"	-3.021828
"885703"	91.7099906666667	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-3H"	-3.021828
"13030"	277.144524	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M-2H"	-2.014552
"453688"	416.220424	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M-2H"	-2.014552
"832222"	138.068624	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-2H"	-2.014552
"94081"	555.296324	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M-H"	-1.007276
"533970"	833.448124	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M-H"	-1.007276
"910918"	277.144524	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-H"	-1.007276
"61766"	572.322871	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M-2H+NH4"	16.019271
"500231"	850.474671	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M-2H+NH4"	16.019271
"876210"	294.171071	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-2H+NH4"	16.019271
"46180"	577.278266	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M-2H+Na"	20.974666
"482579"	855.430066	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M-2H+Na"	20.974666
"858193"	299.126466	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-2H+Na"	20.974666
"1624445"	299.126466	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Na-2H"	20.974666
"102067"	295.132863	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M-H+Cl"	33.962126
"546730"	434.208763	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M-H+Cl"	33.962126
"938424"	156.056963	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-H+Cl"	33.962126
"270420"	591.273002	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+Cl"	34.969402
"666124"	869.424802	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+Cl"	34.969402
"1278893"	313.121202	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Cl"	34.969402
"24365"	593.252206	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M-2H+K"	36.948606
"461737"	871.404006	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M-2H+K"	36.948606
"839539"	315.100406	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-2H+K"	36.948606
"1559745"	315.100406	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+K-2H"	36.948606
"950909"	323.149994	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-H+HCOOH"	44.998194
"365846"	601.301801	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+HCOOH-H"	44.998201
"348640"	615.317451	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+Hac-H"	59.013851
"1495286"	337.165651	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Hac-H"	59.013851
"967202"	345.131951	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-H+NaCOOH"	66.980151
"112830"	313.121202	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+2Cl"	69.938804
"551539"	452.197102	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+2Cl"	69.938804
"1023377"	174.045302	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2Cl"	69.938804
"1244048"	357.070685	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Br"	78.918885
"1305766"	359.126672	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Cl+HCOOH"	80.974872
"1322170"	381.108629	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Cl+NaCOOH"	102.956829
"915051"	391.137386	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M-H+CF3COOH"	112.985586
"1291760"	427.114064	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Cl+CF3COOH"	148.962264
"1379763"	243.139124	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H-2H2O"	-35.012676
"1392887"	261.1491	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H-H2O"	-17.0027
"290387"	557.310876	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+H"	1.007276
"678433"	835.462676	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+H"	1.007276
"1355876"	279.159076	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H"	1.007276
"129493"	279.159076	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+2H"	2.014552
"567231"	418.234976	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+2H"	2.014552
"1039311"	140.083176	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2H"	2.014552
"210498"	186.441809333333	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+3H"	3.021828
"647504"	279.159076	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+3H"	3.021828
"1167089"	93.7245426666667	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+3H"	3.021828
"434743"	574.337423	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+NH4"	18.033823
"797924"	852.489223	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+NH4"	18.033823
"1692071"	296.185623	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+NH4"	18.033823
"343627"	287.6723495	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+H+NH4"	19.041099
"736778"	426.7482495	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+H+NH4"	19.041099
"1484405"	148.5964495	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H+NH4"	19.041099
"400894"	579.292818	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+Na"	22.989218
"762984"	857.444618	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+Na"	22.989218
"1611082"	301.141018	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Na"	22.989218
"322213"	290.150047	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+H+Na"	23.996494
"715728"	429.225947	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+H+Na"	23.996494
"1467362"	151.074147	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H+Na"	23.996494
"1060608"	101.051856666667	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2H+Na"	25.00377
"1259369"	311.185286	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+CH3OH+H"	33.033486
"381953"	595.266758	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+K"	38.963158
"744043"	873.418558	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+K"	38.963158
"1539878"	317.114958	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+K"	38.963158
"298618"	298.137017	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+H+K"	39.970434
"692049"	437.212917	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+H+K"	39.970434
"1447694"	159.061117	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H+K"	39.970434
"240671"	598.337426	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+ACN+H"	42.033826
"1213016"	320.185626	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+ACN+H"	42.033826
"1201276"	160.596451	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+ACN+2H"	43.041102
"199983"	601.27476	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+2Na-H"	44.97116
"644060"	879.42656	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+2Na-H"	44.97116
"1146878"	323.12296	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2Na-H"	44.97116
"187329"	301.141018	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+2Na"	45.978436
"628442"	440.216918	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+2Na"	45.978436
"1131258"	162.065118	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2Na"	45.978436
"1414024"	108.379170666667	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H+2Na"	46.985712
"1444682"	325.164546	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H+HCOOH"	47.012746
"235352"	306.17404	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+3H2O+2H"	56.04448
"1523737"	339.21659	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+IsoProp+H"	61.06479
"423544"	309.127988	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+Na+K"	61.952376
"785189"	448.203888	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+Na+K"	61.952376
"1681258"	170.052088	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Na+K"	61.952376
"266906"	620.319368	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+ACN+Na"	64.015768
"1241196"	342.167568	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+ACN+Na"	64.015768
"1722103"	342.191093	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+NH4+HCOOH"	64.039293
"1185273"	115.706484666667	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+3Na"	68.967654
"1662092"	347.146488	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Na+HCOOH"	68.994688
"166400"	633.22264	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+2K-H"	76.91904
"601221"	911.37444	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+2K-H"	76.91904
"1089378"	355.07084	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2K-H"	76.91904
"147286"	317.114958	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"2M+2K"	77.926316
"587939"	456.190858	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"3M+2K"	77.926316
"1076824"	178.039058	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2K"	77.926316
"1103472"	357.085392	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2K+H"	78.933592
"1339490"	357.173007	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+DMSO+H"	79.021207
"1007657"	361.212176	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2ACN+H"	83.060376
"1527610"	362.205808	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+IsoProp+Na+H"	84.054008
"992230"	181.109726	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+2ACN+2H"	84.067652
"1591844"	363.120428	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+K+HCOOH"	84.968628
"1417504"	393.151938	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+H+CF3COOH"	115.000138
"1157638"	201.623001	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+3ACN+2H"	125.094202
"1709378"	410.178485	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+NH4+CF3COOH"	132.026685
"1640653"	415.13388	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+Na+CF3COOH"	136.98208
"1581772"	431.10782	"C14214"	"Dibutyl phthalate;Di-n-butyl phthalate;Dibutyl 12-benzenedicarboxylate"	"C16H22O4"	"278.1518"	"M+K+CF3COOH"	152.95602
"812139"	214.063	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M"	0
"982391"	195.04461	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"70635"	141.701390666667	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"506920"	213.055724	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"884720"	70.3470573333333	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"12412"	213.055724	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"452705"	320.087224	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"831967"	106.024224	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"93905"	427.118724	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"534038"	641.181724	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"909688"	213.055724	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"58959"	444.145271	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"499612"	658.208271	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"876320"	230.082271	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"45683"	449.100666	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"480502"	663.163666	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"858303"	235.037666	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1626742"	235.037666	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"102178"	231.044063	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"539550"	338.075563	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"938534"	124.012563	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"273810"	463.095402	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"664048"	677.158402	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1278639"	249.032402	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"22289"	465.074606	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"461847"	679.137606	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"838556"	251.011606	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1556575"	251.011606	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"949926"	259.061194	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"364863"	473.124201	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"350936"	487.139851	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1495396"	273.076851	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"961845"	281.043151	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"110753"	249.032402	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"551528"	356.063902	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1022393"	142.000902	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1243063"	292.981885	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1305512"	295.037872	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1323009"	317.019829	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"916254"	327.048586	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1291870"	363.025264	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1379873"	179.050324	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1392997"	197.0603	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"290497"	429.133276	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"676719"	643.196276	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1354892"	215.070276	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H"	1.007276
"127416"	215.070276	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"566003"	322.101776	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1037355"	108.038776	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"207324"	143.715942666667	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"647980"	215.070276	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1164645"	72.3616093333333	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"424756"	446.159823	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"790374"	660.222823	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1693272"	232.096823	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"341551"	223.5835495	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"735795"	330.6150495	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1487795"	116.5520495	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"397724"	451.115218	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"763094"	665.178218	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1611192"	237.052218	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"324146"	226.061247	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"716931"	333.092747	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1470752"	119.029747	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1060718"	79.6889233333333	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1261302"	247.096486	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"383157"	467.089158	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"743423"	681.152158	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1539940"	253.026158	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K"	38.963158
"298708"	234.048217	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"691915"	341.079717	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1448533"	127.016717	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"236770"	470.159826	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1213126"	256.096826	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1200292"	128.552051	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"196447"	473.09716	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"639653"	687.16016	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1147017"	259.03416	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"188280"	237.052218	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"628513"	344.083718	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1131333"	130.020718	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1413974"	87.0162373333333	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1444792"	261.075746	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"234487"	242.08524	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1522913"	275.12779	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"422600"	245.039188	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"781047"	352.070688	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1679563"	138.007688	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"265718"	492.141768	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1239886"	278.078768	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1721119"	278.102293	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1185383"	94.3435513333333	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1661473"	283.057688	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"166510"	505.04504	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"601331"	719.10804	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1086936"	290.98204	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"144116"	253.026158	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"582094"	360.057658	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1071101"	145.994658	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1100667"	292.996592	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1337781"	293.084207	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1006063"	297.123376	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1529906"	298.117008	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"990030"	149.065326	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1591954"	299.031628	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1426363"	329.063138	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1157748"	169.578601	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1709488"	346.089685	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1644044"	351.04508	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1572041"	367.01902	"C14215"	"24-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"812249"	250.03	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M"	0
"981407"	231.01161	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-H2O-H"	-19.01839
"72932"	165.679390666667	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M-3H"	-3.021828
"512497"	249.022724	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M-3H"	-3.021828
"888110"	82.3360573333333	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-3H"	-3.021828
"15083"	249.022724	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M-2H"	-2.014552
"454034"	374.037724	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M-2H"	-2.014552
"832444"	124.007724	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-2H"	-2.014552
"93820"	499.052724	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M-H"	-1.007276
"533465"	749.082724	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M-H"	-1.007276
"908462"	249.022724	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-H"	-1.007276
"61746"	516.079271	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M-2H+NH4"	16.019271
"499481"	766.109271	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M-2H+NH4"	16.019271
"877161"	266.049271	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-2H+NH4"	16.019271
"42148"	521.034666	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M-2H+Na"	20.974666
"481707"	771.064666	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M-2H+Na"	20.974666
"856226"	271.004666	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-2H+Na"	20.974666
"1627947"	271.004666	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Na-2H"	20.974666
"103382"	267.011063	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M-H+Cl"	33.962126
"546222"	392.026063	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M-H+Cl"	33.962126
"936457"	141.996063	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-H+Cl"	33.962126
"271735"	535.029402	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+Cl"	34.969402
"662700"	785.059402	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+Cl"	34.969402
"1279844"	284.999402	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Cl"	34.969402
"20213"	537.008606	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M-2H+K"	36.948606
"463054"	787.038606	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M-2H+K"	36.948606
"836480"	286.978606	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-2H+K"	36.948606
"1559968"	286.978606	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+K-2H"	36.948606
"947851"	295.028194	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-H+HCOOH"	44.998194
"363154"	545.058201	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+HCOOH-H"	44.998201
"347765"	559.073851	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+Hac-H"	59.013851
"1494047"	309.043851	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Hac-H"	59.013851
"959281"	317.010151	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-H+NaCOOH"	66.980151
"110863"	284.999402	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+2Cl"	69.938804
"554797"	410.014402	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+2Cl"	69.938804
"1023597"	159.984402	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2Cl"	69.938804
"1243538"	328.948885	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Br"	78.918885
"1308903"	331.004872	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Cl+HCOOH"	80.974872
"1325306"	352.986829	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Cl+NaCOOH"	102.956829
"917458"	363.015586	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M-H+CF3COOH"	112.985586
"1291615"	398.992264	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Cl+CF3COOH"	148.962264
"1379983"	215.017324	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H-2H2O"	-35.012676
"1395293"	233.0273	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H-H2O"	-17.0027
"293887"	501.067276	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+H"	1.007276
"677559"	751.097276	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+H"	1.007276
"1357190"	251.037276	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H"	1.007276
"129348"	251.037276	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+2H"	2.014552
"567448"	376.052276	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+2H"	2.014552
"1039533"	126.022276	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2H"	2.014552
"207799"	167.693942666667	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+3H"	3.021828
"648090"	251.037276	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+3H"	3.021828
"1165848"	84.3506093333333	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+3H"	3.021828
"426565"	518.093823	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+NH4"	18.033823
"788294"	768.123823	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+NH4"	18.033823
"1695569"	268.063823	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+NH4"	18.033823
"345191"	259.5505495	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+H+NH4"	19.041099
"737246"	384.5655495	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+H+NH4"	19.041099
"1485715"	134.5355495	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H+NH4"	19.041099
"398927"	523.049218	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+Na"	22.989218
"763205"	773.079218	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+Na"	22.989218
"1610209"	273.019218	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Na"	22.989218
"324620"	262.028247	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+H+Na"	23.996494
"718134"	387.043247	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+H+Na"	23.996494
"1476330"	137.013247	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H+Na"	23.996494
"1067389"	91.6779233333333	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2H+Na"	25.00377
"1269796"	283.063486	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+CH3OH+H"	33.033486
"385454"	539.023158	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+K"	38.963158
"744263"	789.053158	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+K"	38.963158
"1544132"	288.993158	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+K"	38.963158
"299481"	270.015217	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+H+K"	39.970434
"694092"	395.030217	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+H+K"	39.970434
"1447184"	145.000217	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H+K"	39.970434
"236432"	542.093826	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+ACN+H"	42.033826
"1217611"	292.063826	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+ACN+H"	42.033826
"1200402"	146.535551	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+ACN+2H"	43.041102
"194369"	545.03116	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+2Na-H"	44.97116
"639397"	795.06116	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+2Na-H"	44.97116
"1138529"	295.00116	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2Na-H"	44.97116
"188147"	273.019218	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+2Na"	45.978436
"628238"	398.034218	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+2Na"	45.978436
"1131050"	148.004218	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2Na"	45.978436
"1412424"	99.0052373333333	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H+2Na"	46.985712
"1443082"	297.042746	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H+HCOOH"	47.012746
"234965"	278.05224	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+3H2O+2H"	56.04448
"1520479"	311.09479	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+IsoProp+H"	61.06479
"422718"	281.006188	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+Na+K"	61.952376
"779700"	406.021188	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+Na+K"	61.952376
"1678220"	155.991188	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Na+K"	61.952376
"263280"	564.075768	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+ACN+Na"	64.015768
"1238176"	314.045768	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+ACN+Na"	64.015768
"1720137"	314.069293	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+NH4+HCOOH"	64.039293
"1184399"	106.332551333333	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+3Na"	68.967654
"1653927"	319.024688	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Na+HCOOH"	68.994688
"161517"	576.97904	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+2K-H"	76.91904
"598646"	827.00904	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+2K-H"	76.91904
"1085343"	326.94904	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2K-H"	76.91904
"143496"	288.993158	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"2M+2K"	77.926316
"582811"	414.008158	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"3M+2K"	77.926316
"1070487"	163.978158	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2K"	77.926316
"1101750"	328.963592	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2K+H"	78.933592
"1336068"	329.051207	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+DMSO+H"	79.021207
"1005794"	333.090376	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2ACN+H"	83.060376
"1531114"	334.084008	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+IsoProp+Na+H"	84.054008
"999748"	167.048826	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+2ACN+2H"	84.067652
"1600816"	334.998628	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+K+HCOOH"	84.968628
"1422100"	365.030138	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+H+CF3COOH"	115.000138
"1162114"	187.562101	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+3ACN+2H"	125.094202
"1712513"	382.056685	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+NH4+CF3COOH"	132.026685
"1644152"	387.01208	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+Na+CF3COOH"	136.98208
"1581990"	402.98602	"C14216"	"44-Sulfonyldiphenol;Bisphenol S;11-Sulfonylbis(4-hydroxybenzene)"	"C12H10O4S"	"250.03"	"M+K+CF3COOH"	152.95602
"812359"	156.0939	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M"	0
"979331"	137.07551	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H2O-H"	-19.01839
"69762"	103.055324	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-3H"	-3.021828
"511514"	155.086624	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-3H"	-3.021828
"887126"	51.024024	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-3H"	-3.021828
"10077"	155.086624	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H"	-2.014552
"453901"	233.133574	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H"	-2.014552
"831703"	77.039674	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H"	-2.014552
"94137"	311.180524	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H"	-1.007276
"534100"	467.274424	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H"	-1.007276
"907721"	155.086624	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H"	-1.007276
"61373"	328.207071	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+NH4"	16.019271
"499349"	484.300971	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+NH4"	16.019271
"877150"	172.113171	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+NH4"	16.019271
"42258"	333.162466	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+Na"	20.974666
"481817"	489.256366	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+Na"	20.974666
"856336"	177.068566	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+Na"	20.974666
"1628056"	177.068566	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na-2H"	20.974666
"104585"	173.074963	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H+Cl"	33.962126
"547062"	251.121913	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H+Cl"	33.962126
"936567"	95.028013	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+Cl"	33.962126
"272937"	347.157202	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Cl"	34.969402
"669735"	503.251102	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Cl"	34.969402
"1282140"	191.063302	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl"	34.969402
"26884"	349.136406	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+K"	36.948606
"466081"	505.230306	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+K"	36.948606
"840966"	193.042506	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+K"	36.948606
"1558986"	193.042506	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K-2H"	36.948606
"949056"	201.092094	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+HCOOH"	44.998194
"362900"	357.186001	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+HCOOH-H"	44.998201
"348969"	371.201651	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Hac-H"	59.013851
"1493265"	215.107751	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Hac-H"	59.013851
"962065"	223.074051	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+NaCOOH"	66.980151
"114253"	191.063302	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Cl"	69.938804
"554907"	269.110252	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Cl"	69.938804
"1023707"	113.016352	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Cl"	69.938804
"1242188"	235.012785	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Br"	78.918885
"1307920"	237.068772	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+HCOOH"	80.974872
"1324323"	259.050729	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+NaCOOH"	102.956829
"916475"	269.079486	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+CF3COOH"	112.985586
"1292454"	305.056164	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+CF3COOH"	148.962264
"1380093"	121.081224	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-2H2O"	-35.012676
"1396496"	139.0912	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-H2O"	-17.0027
"293997"	313.195076	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H"	1.007276
"678033"	469.288976	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H"	1.007276
"1357300"	157.101176	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H"	1.007276
"129458"	157.101176	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2H"	2.014552
"569017"	235.148126	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2H"	2.014552
"1038547"	79.054226	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H"	2.014552
"206812"	105.069876	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H"	3.021828
"647834"	157.101176	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+3H"	3.021828
"1166324"	53.038576	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3H"	3.021828
"425949"	330.221623	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+NH4"	18.033823
"789500"	486.315523	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+NH4"	18.033823
"1694586"	174.127723	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4"	18.033823
"342861"	165.6144495	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+NH4"	19.041099
"738164"	243.6613995	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+NH4"	19.041099
"1483639"	87.5674995	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+NH4"	19.041099
"400129"	335.177018	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na"	22.989218
"762219"	491.270918	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na"	22.989218
"1611412"	179.083118	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na"	22.989218
"323635"	168.092147	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+Na"	23.996494
"713871"	246.139097	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+Na"	23.996494
"1475596"	90.045197	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+Na"	23.996494
"1067135"	60.36589	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H+Na"	25.00377
"1271364"	189.127386	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+CH3OH+H"	33.033486
"383378"	351.150958	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+K"	38.963158
"746562"	507.244858	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+K"	38.963158
"1544242"	195.057058	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K"	38.963158
"299472"	176.079117	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+K"	39.970434
"692135"	254.126067	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+K"	39.970434
"1447661"	98.032167	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+K"	39.970434
"236501"	354.221626	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+H"	42.033826
"1213348"	198.127726	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+H"	42.033826
"1201605"	99.567501	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+2H"	43.041102
"195572"	357.15896	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na-H"	44.97116
"641333"	513.25286	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na-H"	44.97116
"1142650"	201.06506	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na-H"	44.97116
"187779"	179.083118	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na"	45.978436
"627945"	257.130068	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na"	45.978436
"1129749"	101.036168	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na"	45.978436
"1411806"	67.693204	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+2Na"	46.985712
"1444651"	203.106646	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+HCOOH"	47.012746
"235444"	184.11614	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H2O+2H"	56.04448
"1522047"	217.15869	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+H"	61.06479
"422829"	187.070088	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na+K"	61.952376
"782362"	265.117038	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na+K"	61.952376
"1677598"	109.023138	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+K"	61.952376
"264849"	376.203568	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+Na"	64.015768
"1237924"	220.109668	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+Na"	64.015768
"1721704"	220.133193	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+HCOOH"	64.039293
"1184144"	75.020518	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3Na"	68.967654
"1656591"	225.088588	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+HCOOH"	68.994688
"165274"	389.10684	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K-H"	76.91904
"598025"	545.20074	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K-H"	76.91904
"1085696"	233.01294	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K-H"	76.91904
"143970"	195.057058	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K"	77.926316
"588270"	273.104008	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K"	77.926316
"1068648"	117.010108	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K"	77.926316
"1103806"	235.027492	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K+H"	78.933592
"1337153"	235.115107	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+DMSO+H"	79.021207
"1008720"	239.154276	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+H"	83.060376
"1529034"	240.147908	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+Na+H"	84.054008
"990496"	120.080776	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+2H"	84.067652
"1601537"	241.062528	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+HCOOH"	84.968628
"1428769"	271.094038	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+CF3COOH"	115.000138
"1161978"	140.594051	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3ACN+2H"	125.094202
"1712139"	288.120585	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+CF3COOH"	132.026685
"1644262"	293.07598	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+CF3COOH"	136.98208
"1582100"	309.04992	"C14217"	"16-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+CF3COOH"	152.95602
"817030"	146.1307	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M"	0
"989290"	127.11231	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-H2O-H"	-19.01839
"78427"	96.4131906666667	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M-3H"	-3.021828
"512717"	145.123424	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M-3H"	-3.021828
"895433"	47.7029573333333	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-3H"	-3.021828
"14566"	145.123424	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M-2H"	-2.014552
"455436"	218.188774	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M-2H"	-2.014552
"830842"	72.058074	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-2H"	-2.014552
"88651"	291.254124	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M-H"	-1.007276
"529305"	437.384824	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M-H"	-1.007276
"910754"	145.123424	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-H"	-1.007276
"61980"	308.280671	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M-2H+NH4"	16.019271
"502341"	454.411371	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M-2H+NH4"	16.019271
"879211"	162.149971	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-2H+NH4"	16.019271
"44551"	313.236066	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M-2H+Na"	20.974666
"480831"	459.366766	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M-2H+Na"	20.974666
"856447"	167.105366	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-2H+Na"	20.974666
"1629989"	167.105366	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Na-2H"	20.974666
"106881"	163.111763	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M-H+Cl"	33.962126
"547534"	236.177113	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M-H+Cl"	33.962126
"935587"	90.046413	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-H+Cl"	33.962126
"270863"	327.230802	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+Cl"	34.969402
"666568"	473.361502	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+Cl"	34.969402
"1276785"	181.100102	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Cl"	34.969402
"26995"	329.210006	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M-2H+K"	36.948606
"468377"	475.340706	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M-2H+K"	36.948606
"845454"	183.079306	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-2H+K"	36.948606
"1561287"	183.079306	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+K-2H"	36.948606
"955368"	191.128894	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-H+HCOOH"	44.998194
"371760"	337.259601	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+HCOOH-H"	44.998201
"358199"	351.275251	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+Hac-H"	59.013851
"1507031"	205.144551	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Hac-H"	59.013851
"973604"	213.110851	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-H+NaCOOH"	66.980151
"125061"	181.100102	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+2Cl"	69.938804
"563405"	254.165452	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+2Cl"	69.938804
"1035485"	108.034752	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2Cl"	69.938804
"1256727"	225.049585	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Br"	78.918885
"1318243"	227.105572	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Cl+HCOOH"	80.974872
"1334406"	249.087529	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Cl+NaCOOH"	102.956829
"924615"	259.116286	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M-H+CF3COOH"	112.985586
"1302051"	295.092964	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Cl+CF3COOH"	148.962264
"1379482"	111.118024	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H-2H2O"	-35.012676
"1392235"	129.128	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H-H2O"	-17.0027
"287546"	293.268676	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+H"	1.007276
"688353"	439.399376	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+H"	1.007276
"1357411"	147.137976	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H"	1.007276
"130301"	147.137976	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+2H"	2.014552
"568766"	220.203326	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+2H"	2.014552
"1040845"	74.072626	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2H"	2.014552
"206926"	98.4277426666667	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+3H"	3.021828
"647579"	147.137976	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+3H"	3.021828
"1167896"	49.7175093333333	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+3H"	3.021828
"439964"	310.295223	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+NH4"	18.033823
"797272"	456.425923	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+NH4"	18.033823
"1691415"	164.164523	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+NH4"	18.033823
"345163"	155.6512495	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+H+NH4"	19.041099
"738458"	228.7165995	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+H+NH4"	19.041099
"1491404"	82.5858995	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H+NH4"	19.041099
"407897"	315.250618	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+Na"	22.989218
"768894"	461.381318	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+Na"	22.989218
"1616992"	169.119918	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Na"	22.989218
"327759"	158.128947	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+H+Na"	23.996494
"719450"	231.194297	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+H+Na"	23.996494
"1476193"	85.063597	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H+Na"	23.996494
"1066884"	57.0448233333333	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2H+Na"	25.00377
"1272209"	179.164186	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+CH3OH+H"	33.033486
"388958"	331.224558	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+K"	38.963158
"748862"	477.355258	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+K"	38.963158
"1543261"	185.093858	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+K"	38.963158
"304810"	166.115917	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+H+K"	39.970434
"695042"	239.181267	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+H+K"	39.970434
"1453240"	93.050567	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H+K"	39.970434
"250887"	334.295226	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+ACN+H"	42.033826
"1225264"	188.164526	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+ACN+H"	42.033826
"1209381"	94.585901	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+ACN+2H"	43.041102
"202247"	337.23256	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+2Na-H"	44.97116
"644091"	483.36326	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+2Na-H"	44.97116
"1145572"	191.10186	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2Na-H"	44.97116
"186432"	169.119918	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+2Na"	45.978436
"626719"	242.185268	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+2Na"	45.978436
"1130219"	96.054568	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2Na"	45.978436
"1411923"	64.3721373333333	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H+2Na"	46.985712
"1442943"	193.143446	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H+HCOOH"	47.012746
"233732"	174.15294	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+3H2O+2H"	56.04448
"1523251"	207.19549	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+IsoProp+H"	61.06479
"420383"	177.106888	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+Na+K"	61.952376
"783569"	250.172238	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+Na+K"	61.952376
"1673335"	104.041538	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Na+K"	61.952376
"262042"	356.277168	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+ACN+Na"	64.015768
"1235844"	210.146468	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+ACN+Na"	64.015768
"1721450"	210.169993	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+NH4+HCOOH"	64.039293
"1189724"	71.6994513333333	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+3Na"	68.967654
"1661441"	215.125388	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Na+HCOOH"	68.994688
"169031"	369.18044	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+2K-H"	76.91904
"608227"	515.31114	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+2K-H"	76.91904
"1096018"	223.04974	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2K-H"	76.91904
"151010"	185.093858	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"2M+2K"	77.926316
"588383"	258.159208	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"3M+2K"	77.926316
"1075082"	112.028508	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2K"	77.926316
"1102822"	225.064292	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2K+H"	78.933592
"1337386"	225.151907	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+DMSO+H"	79.021207
"1008831"	229.191076	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2ACN+H"	83.060376
"1528051"	230.184708	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+IsoProp+Na+H"	84.054008
"1004228"	115.099176	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+2ACN+2H"	84.067652
"1602010"	231.099328	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+K+HCOOH"	84.968628
"1428521"	261.130838	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+H+CF3COOH"	115.000138
"1161359"	135.612451	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+3ACN+2H"	125.094202
"1712249"	278.157385	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+NH4+CF3COOH"	132.026685
"1647654"	283.11278	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+Na+CF3COOH"	136.98208
"1573464"	299.08672	"C14218"	"Octane-18-diol;18-Octanediol"	"C8H18O2"	"146.1307"	"M+K+CF3COOH"	152.95602
"812579"	128.0029	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M"	0
"979551"	108.98451	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-H2O-H"	-19.01839
"68888"	84.3279906666667	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M-3H"	-3.021828
"509547"	126.995624	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M-3H"	-3.021828
"885160"	41.6603573333333	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-3H"	-3.021828
"5923"	126.995624	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M-2H"	-2.014552
"452053"	190.997074	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M-2H"	-2.014552
"832041"	62.994174	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-2H"	-2.014552
"94233"	254.998524	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M-H"	-1.007276
"534224"	383.001424	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M-H"	-1.007276
"910615"	126.995624	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-H"	-1.007276
"61223"	272.025071	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M-2H+NH4"	16.019271
"497867"	400.027971	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M-2H+NH4"	16.019271
"875667"	144.022171	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-2H+NH4"	16.019271
"42474"	276.980466	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M-2H+Na"	20.974666
"474380"	404.983366	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M-2H+Na"	20.974666
"856557"	148.977566	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-2H+Na"	20.974666
"1629370"	148.977566	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Na-2H"	20.974666
"99339"	144.983963	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M-H+Cl"	33.962126
"546554"	208.985413	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M-H+Cl"	33.962126
"930229"	80.982513	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-H+Cl"	33.962126
"268786"	290.975202	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+Cl"	34.969402
"662303"	418.978102	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+Cl"	34.969402
"1274707"	162.972302	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Cl"	34.969402
"21637"	292.954406	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M-2H+K"	36.948606
"467756"	420.957306	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M-2H+K"	36.948606
"844467"	164.951506	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-2H+K"	36.948606
"1562489"	164.951506	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+K-2H"	36.948606
"951468"	173.001094	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-H+HCOOH"	44.998194
"371869"	301.004001	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+HCOOH-H"	44.998201
"358309"	315.019651	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+Hac-H"	59.013851
"1505318"	187.016751	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Hac-H"	59.013851
"974146"	194.983051	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-H+NaCOOH"	66.980151
"123954"	162.972302	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+2Cl"	69.938804
"563879"	226.973752	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+2Cl"	69.938804
"1034866"	98.970852	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2Cl"	69.938804
"1256877"	206.921785	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Br"	78.918885
"1317624"	208.977772	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Cl+HCOOH"	80.974872
"1334029"	230.959729	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Cl+NaCOOH"	102.956829
"924725"	240.988486	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M-H+CF3COOH"	112.985586
"1301799"	276.965164	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Cl+CF3COOH"	148.962264
"1379226"	92.990224	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H-2H2O"	-35.012676
"1389065"	111.0002	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H-H2O"	-17.0027
"288749"	257.013076	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+H"	1.007276
"686641"	385.015976	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+H"	1.007276
"1356429"	129.010176	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H"	1.007276
"130411"	129.010176	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+2H"	2.014552
"567786"	193.011626	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+2H"	2.014552
"1040591"	65.008726	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2H"	2.014552
"210319"	86.3425426666667	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+3H"	3.021828
"648053"	129.010176	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+3H"	3.021828
"1168006"	43.6749093333333	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+3H"	3.021828
"439426"	274.039623	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+NH4"	18.033823
"796654"	402.042523	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+NH4"	18.033823
"1693348"	146.036723	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+NH4"	18.033823
"344550"	137.5234495	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+H+NH4"	19.041099
"736602"	201.5248995	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+H+NH4"	19.041099
"1492572"	73.5219995	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H+NH4"	19.041099
"407280"	278.995018	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+Na"	22.989218
"769374"	406.997918	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+Na"	22.989218
"1611635"	150.992118	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Na"	22.989218
"329330"	140.001147	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+H+Na"	23.996494
"721751"	204.002597	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+H+Na"	23.996494
"1476878"	75.999697	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H+Na"	23.996494
"1066994"	51.0022233333333	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2H+Na"	25.00377
"1271226"	161.036386	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+CH3OH+H"	33.033486
"391623"	294.968958	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+K"	38.963158
"751159"	422.971858	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+K"	38.963158
"1545559"	166.966058	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+K"	38.963158
"302735"	147.988117	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+H+K"	39.970434
"697344"	211.989567	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+H+K"	39.970434
"1457728"	83.986667	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H+K"	39.970434
"251210"	298.039626	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+ACN+H"	42.033826
"1224997"	170.036726	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+ACN+H"	42.033826
"1209785"	85.522001	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+ACN+2H"	43.041102
"204041"	300.97696	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+2Na-H"	44.97116
"643593"	428.97986	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+2Na-H"	44.97116
"1146652"	172.97406	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2Na-H"	44.97116
"187513"	150.992118	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+2Na"	45.978436
"627884"	214.993568	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+2Na"	45.978436
"1129603"	86.990668	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2Na"	45.978436
"1413490"	58.3295373333333	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H+2Na"	46.985712
"1442686"	175.015646	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H+HCOOH"	47.012746
"233109"	156.02514	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+3H2O+2H"	56.04448
"1520445"	189.06769	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+IsoProp+H"	61.06479
"420493"	158.979088	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+Na+K"	61.952376
"779301"	222.980538	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+Na+K"	61.952376
"1674538"	94.977638	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Na+K"	61.952376
"258871"	320.021568	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+ACN+Na"	64.015768
"1234861"	192.018668	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+ACN+Na"	64.015768
"1723747"	192.042193	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+NH4+HCOOH"	64.039293
"1188739"	65.6568513333333	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+3Na"	68.967654
"1657903"	196.997588	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Na+HCOOH"	68.994688
"169868"	332.92484	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+2K-H"	76.91904
"607603"	460.92774	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+2K-H"	76.91904
"1094304"	204.92194	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2K-H"	76.91904
"150756"	166.966058	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"2M+2K"	77.926316
"588493"	230.967508	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"3M+2K"	77.926316
"1075192"	102.964608	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2K"	77.926316
"1104026"	206.936492	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2K+H"	78.933592
"1342598"	207.024107	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+DMSO+H"	79.021207
"1011129"	211.063276	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2ACN+H"	83.060376
"1530346"	212.056908	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+IsoProp+Na+H"	84.054008
"993517"	106.035276	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+2ACN+2H"	84.067652
"1590205"	212.971528	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+K+HCOOH"	84.968628
"1425710"	243.003038	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+H+CF3COOH"	115.000138
"1161832"	126.548551	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+3ACN+2H"	125.094202
"1709925"	260.029585	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+NH4+CF3COOH"	132.026685
"1647400"	264.98498	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+Na+CF3COOH"	136.98208
"1572845"	280.95892	"C14219"	"2-Chlorophenol;2-Chloro-1-hydroxybenzene"	"C6H5ClO"	"128.0029"	"M+K+CF3COOH"	152.95602
"812689"	214.063	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M"	0
"979661"	195.04461	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"71185"	141.701390666667	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"509657"	213.055724	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"885270"	70.3470573333333	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"2750"	213.055724	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"453990"	320.087224	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"831671"	106.024224	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"92513"	427.118724	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"532679"	641.181724	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"910727"	213.055724	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"60240"	444.145271	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"499436"	658.208271	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"876872"	230.082271	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"44408"	449.100666	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"482145"	663.163666	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"859949"	235.037666	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1630211"	235.037666	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"106375"	231.044063	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"547758"	338.075563	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"932527"	124.012563	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"268896"	463.095402	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"660833"	677.158402	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1273435"	249.032402	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"18467"	465.074606	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"467866"	679.137606	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"842390"	251.011606	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1564786"	251.011606	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"955589"	259.061194	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"373801"	473.124201	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"360606"	487.139851	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1502512"	273.076851	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"971877"	281.043151	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"123335"	249.032402	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"562896"	356.063902	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1035343"	142.000902	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1256015"	292.981885	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1317370"	295.037872	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1334502"	317.019829	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"922276"	327.048586	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1302266"	363.025264	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1380426"	179.050324	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1390268"	197.0603	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"284485"	429.133276	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"688937"	643.196276	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1355444"	215.070276	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H"	1.007276
"127968"	215.070276	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"570083"	322.101776	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1042161"	108.038776	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"215532"	143.715942666667	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"647799"	215.070276	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1168844"	72.3616093333333	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"429199"	446.159823	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"796764"	660.222823	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1692726"	232.096823	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"343932"	223.5835495	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"736715"	330.6150495	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1490898"	116.5520495	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"406660"	451.115218	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"765834"	665.178218	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1610651"	237.052218	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"323969"	226.061247	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"721132"	333.092747	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1473492"	119.029747	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1062363"	79.6889233333333	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1272433"	247.096486	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"389909"	467.089158	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"746893"	681.152158	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1543480"	253.026158	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K"	38.963158
"299925"	234.048217	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"693076"	341.079717	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1449086"	127.016717	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"238782"	470.159826	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1219147"	256.096826	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1208137"	128.552051	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"204099"	473.09716	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"643127"	687.16016	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1146511"	259.03416	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"187126"	237.052218	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"625837"	344.083718	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1129345"	130.020718	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1412382"	87.0162373333333	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1441337"	261.075746	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"233582"	242.08524	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1522008"	275.12779	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"421335"	245.039188	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"781236"	352.070688	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1678661"	138.007688	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"265177"	492.141768	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1237520"	278.078768	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1720942"	278.102293	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1186297"	94.3435513333333	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1656916"	283.057688	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"162686"	505.04504	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"602245"	719.10804	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1092224"	290.98204	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"149044"	253.026158	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"587510"	360.057658	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1073115"	145.994658	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1101949"	292.996592	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1336875"	293.084207	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1007959"	297.123376	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1528269"	298.117008	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"991804"	149.065326	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1590316"	299.031628	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1426914"	329.063138	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1156108"	169.578601	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1712223"	346.089685	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1647510"	351.04508	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1575871"	367.01902	"C14220"	"44-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"812799"	240.0786	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M"	0
"979771"	221.06021	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"69108"	159.045124	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"509767"	239.071324	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"882100"	79.018924	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"2860"	239.071324	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"454465"	359.110624	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"832506"	119.032024	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"92745"	479.149924	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"534010"	719.228524	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"911210"	239.071324	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"61201"	496.176471	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"502263"	736.255071	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"879172"	256.097871	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"46467"	501.131866	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"484079"	741.210466	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"860059"	261.053266	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1629957"	261.053266	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"106485"	257.059663	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"548600"	377.098963	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"935921"	137.020363	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"273380"	515.126602	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"660821"	755.205202	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1273955"	275.048002	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"22951"	517.105806	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"464696"	757.184406	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"845780"	277.027206	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1565989"	277.027206	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"954968"	285.076794	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"373912"	525.155401	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"357799"	539.171051	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1502622"	299.092451	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"971622"	307.058751	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"121985"	275.048002	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"564101"	395.087302	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1035084"	155.008702	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1256693"	318.997485	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1318209"	321.053472	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1334612"	343.035429	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"922386"	353.064186	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1302374"	389.040864	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1379443"	205.065924	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1395846"	223.0759	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"291157"	481.164476	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"690507"	721.243076	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1358836"	241.085876	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"131724"	241.085876	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"572380"	361.125176	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1041542"	121.046576	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"215642"	161.059676	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"648274"	241.085876	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1168224"	81.033476	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"428216"	498.191023	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"797238"	738.269623	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1695022"	258.112423	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"343919"	249.5991495	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"736463"	369.6384495	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1490281"	129.5598495	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"406650"	503.146418	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"765944"	743.225018	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1609667"	263.067818	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"324809"	252.076847	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"720150"	372.116147	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1473602"	132.037547	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1064295"	88.36079	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1271208"	273.112086	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"388926"	519.120358	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"748461"	759.198958	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1543590"	279.041758	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"301129"	260.063817	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"693186"	380.103117	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1449196"	140.024517	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"241078"	522.191026	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1221446"	282.112426	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1206424"	141.559851	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"204124"	525.12836	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"642992"	765.20696	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1145771"	285.04976	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"186507"	263.067818	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"626312"	383.107118	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1129093"	143.028518	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1412252"	95.688104	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1442177"	287.091346	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"234909"	268.10084	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1523577"	301.14339	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"422052"	271.054788	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"782437"	391.094088	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1677312"	151.015488	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"265286"	544.172968	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1238723"	304.094368	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1719593"	304.117893	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1190049"	103.015418	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1659941"	309.073288	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"162796"	557.07624	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"605635"	797.15484	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1089054"	316.99764	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"143683"	279.041758	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"588713"	399.081058	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1069945"	159.002458	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1101693"	319.012192	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1336739"	319.099807	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1007338"	323.138976	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1525463"	324.132608	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"991914"	162.073126	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1590425"	325.047228	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1428846"	355.078738	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1156218"	182.586401	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1712215"	372.105285	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1644703"	377.06068	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1575981"	393.03462	"C14221"	"6-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"812910"	228.0939	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M"	0
"986444"	209.07551	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-H2O-H"	-19.01839
"73593"	151.055324	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M-3H"	-3.021828
"509877"	227.086624	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M-3H"	-3.021828
"883303"	75.024024	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-3H"	-3.021828
"8438"	227.086624	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M-2H"	-2.014552
"449093"	341.133574	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M-2H"	-2.014552
"832009"	113.039674	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-2H"	-2.014552
"93095"	455.180524	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M-H"	-1.007276
"532657"	683.274424	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M-H"	-1.007276
"910220"	227.086624	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-H"	-1.007276
"61067"	472.207071	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M-2H+NH4"	16.019271
"500750"	700.300971	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M-2H+NH4"	16.019271
"879282"	244.113171	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-2H+NH4"	16.019271
"46618"	477.162466	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M-2H+Na"	20.974666
"485285"	705.256366	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M-2H+Na"	20.974666
"859804"	249.068566	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-2H+Na"	20.974666
"1627514"	249.068566	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Na-2H"	20.974666
"104042"	245.074963	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M-H+Cl"	33.962126
"545789"	359.121913	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M-H+Cl"	33.962126
"932748"	131.028013	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-H+Cl"	33.962126
"271303"	491.157202	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+Cl"	34.969402
"660931"	719.251102	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+Cl"	34.969402
"1273330"	263.063302	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Cl"	34.969402
"24154"	493.136406	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M-2H+K"	36.948606
"465901"	721.230306	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M-2H+K"	36.948606
"841515"	265.042506	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-2H+K"	36.948606
"1565006"	265.042506	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+K-2H"	36.948606
"953985"	273.092094	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-H+HCOOH"	44.998194
"372200"	501.186001	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+HCOOH-H"	44.998201
"358639"	515.201651	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+Hac-H"	59.013851
"1507958"	287.107751	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Hac-H"	59.013851
"972461"	295.074051	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-H+NaCOOH"	66.980151
"122824"	263.063302	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+2Cl"	69.938804
"563845"	377.110252	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+2Cl"	69.938804
"1034101"	149.016352	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2Cl"	69.938804
"1256117"	307.012785	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Br"	78.918885
"1318683"	309.068772	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Cl+HCOOH"	80.974872
"1333993"	331.050729	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Cl+NaCOOH"	102.956829
"924683"	341.079486	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M-H+CF3COOH"	112.985586
"1302485"	377.056164	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Cl+CF3COOH"	148.962264
"1382469"	193.081224	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H-2H2O"	-35.012676
"1398143"	211.0912	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H-H2O"	-17.0027
"296737"	457.195076	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+H"	1.007276
"686972"	685.288976	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+H"	1.007276
"1363322"	229.101176	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H"	1.007276
"135118"	229.101176	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+2H"	2.014552
"577961"	343.148126	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+2H"	2.014552
"1047852"	115.054226	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2H"	2.014552
"213565"	153.069876	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+3H"	3.021828
"650572"	229.101176	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+3H"	3.021828
"1176720"	77.038576	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+3H"	3.021828
"431609"	474.221623	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+NH4"	18.033823
"799170"	702.315523	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+NH4"	18.033823
"1692946"	246.127723	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+NH4"	18.033823
"343785"	237.6144495	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+H+NH4"	19.041099
"736937"	351.6613995	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+H+NH4"	19.041099
"1491120"	123.5674995	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H+NH4"	19.041099
"406885"	479.177018	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+Na"	22.989218
"766054"	707.270918	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+Na"	22.989218
"1610872"	251.083118	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Na"	22.989218
"326377"	240.092147	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+H+Na"	23.996494
"721719"	354.139097	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+H+Na"	23.996494
"1473348"	126.045197	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H+Na"	23.996494
"1063676"	84.36589	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2H+Na"	25.00377
"1271929"	261.127386	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+CH3OH+H"	33.033486
"388672"	495.150958	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+K"	38.963158
"749664"	723.244858	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+K"	38.963158
"1545889"	267.057058	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+K"	38.963158
"303064"	248.079117	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+H+K"	39.970434
"702049"	362.126067	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+H+K"	39.970434
"1451495"	134.032167	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H+K"	39.970434
"242284"	498.221626	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+ACN+H"	42.033826
"1224719"	270.127726	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+ACN+H"	42.033826
"1208126"	135.567501	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+ACN+2H"	43.041102
"202941"	501.15896	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+2Na-H"	44.97116
"641527"	729.25286	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+2Na-H"	44.97116
"1145760"	273.06506	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2Na-H"	44.97116
"187352"	251.083118	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+2Na"	45.978436
"626665"	365.130068	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+2Na"	45.978436
"1128838"	137.036168	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2Na"	45.978436
"1411632"	91.693204	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H+2Na"	46.985712
"1443015"	275.106646	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H+HCOOH"	47.012746
"234655"	256.11614	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+3H2O+2H"	56.04448
"1523205"	289.15869	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+IsoProp+H"	61.06479
"422645"	259.070088	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+Na+K"	61.952376
"781818"	373.117038	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+Na+K"	61.952376
"1675961"	145.023138	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Na+K"	61.952376
"258108"	520.203568	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+ACN+Na"	64.015768
"1234097"	292.109668	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+ACN+Na"	64.015768
"1719703"	292.133193	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+NH4+HCOOH"	64.039293
"1183964"	99.020518	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+3Na"	68.967654
"1659325"	297.088588	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Na+HCOOH"	68.994688
"165093"	533.10684	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+2K-H"	76.91904
"602466"	761.20074	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+2K-H"	76.91904
"1095362"	305.01294	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2K-H"	76.91904
"149261"	267.057058	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"2M+2K"	77.926316
"585543"	381.104008	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"3M+2K"	77.926316
"1070418"	153.010108	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2K"	77.926316
"1100182"	307.027492	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2K+H"	78.933592
"1335996"	307.115107	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+DMSO+H"	79.021207
"1005634"	311.154276	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2ACN+H"	83.060376
"1524377"	312.147908	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+IsoProp+Na+H"	84.054008
"991660"	156.080776	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+2ACN+2H"	84.067652
"1587739"	313.062528	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+K+HCOOH"	84.968628
"1419478"	343.094038	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+H+CF3COOH"	115.000138
"1149036"	176.594051	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+3ACN+2H"	125.094202
"1708067"	360.120585	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+NH4+CF3COOH"	132.026685
"1646999"	365.07598	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+Na+CF3COOH"	136.98208
"1579371"	381.04992	"C14222"	"Chrysene;12-Benzophenanthrene;Benzaphenanthrene"	"C18H12"	"228.0939"	"M+K+CF3COOH"	152.95602
"811930"	320.1049	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M"	0
"979992"	301.08651	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-H2O-H"	-19.01839
"73703"	212.395990666667	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M-3H"	-3.021828
"503018"	319.097624	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M-3H"	-3.021828
"880372"	105.694357333333	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-3H"	-3.021828
"5269"	319.097624	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M-2H"	-2.014552
"449203"	479.150074	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M-2H"	-2.014552
"829195"	159.045174	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-2H"	-2.014552
"94058"	639.202524	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M-H"	-1.007276
"532767"	959.307424	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M-H"	-1.007276
"910694"	319.097624	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-H"	-1.007276
"62641"	656.229071	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M-2H+NH4"	16.019271
"501347"	976.333971	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M-2H+NH4"	16.019271
"879714"	336.124171	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-2H+NH4"	16.019271
"46768"	661.184466	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M-2H+Na"	20.974666
"486692"	981.289366	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M-2H+Na"	20.974666
"859915"	341.079566	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-2H+Na"	20.974666
"1632728"	341.079566	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Na-2H"	20.974666
"105246"	337.085963	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M-H+Cl"	33.962126
"543711"	497.138413	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M-H+Cl"	33.962126
"933954"	177.033513	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-H+Cl"	33.962126
"275787"	675.179202	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+Cl"	34.969402
"661891"	995.284102	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+Cl"	34.969402
"1277332"	355.074302	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Cl"	34.969402
"17702"	677.158406	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M-2H+K"	36.948606
"459449"	997.263306	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M-2H+K"	36.948606
"843814"	357.053506	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-2H+K"	36.948606
"1565116"	357.053506	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+K-2H"	36.948606
"955188"	365.103094	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-H+HCOOH"	44.998194
"374862"	685.208001	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+HCOOH-H"	44.998201
"359721"	699.223651	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+Hac-H"	59.013851
"1508192"	379.118751	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Hac-H"	59.013851
"973627"	387.085051	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-H+NaCOOH"	66.980151
"122569"	355.074302	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+2Cl"	69.938804
"563956"	515.126752	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+2Cl"	69.938804
"1035674"	195.021852	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2Cl"	69.938804
"1256710"	399.023785	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Br"	78.918885
"1316243"	401.079772	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Cl+HCOOH"	80.974872
"1331550"	423.061729	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Cl+NaCOOH"	102.956829
"924430"	433.090486	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M-H+CF3COOH"	112.985586
"1302233"	469.067164	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Cl+CF3COOH"	148.962264
"1381850"	285.092224	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H-2H2O"	-35.012676
"1396432"	303.1022	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H-H2O"	-17.0027
"295026"	641.217076	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+H"	1.007276
"680520"	961.321976	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+H"	1.007276
"1357965"	321.112176	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H"	1.007276
"129761"	321.112176	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+2H"	2.014552
"574791"	481.164626	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+2H"	2.014552
"1049058"	161.059726	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2H"	2.014552
"218415"	214.410542666667	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+3H"	3.021828
"653236"	321.112176	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+3H"	3.021828
"1176468"	107.708909333333	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+3H"	3.021828
"432448"	658.243623	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+NH4"	18.033823
"797822"	978.348523	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+NH4"	18.033823
"1693059"	338.138723	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+NH4"	18.033823
"345655"	329.6254495	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+H+NH4"	19.041099
"738371"	489.6778995	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+H+NH4"	19.041099
"1490134"	169.5729995	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H+NH4"	19.041099
"401885"	663.199018	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+Na"	22.989218
"765069"	983.303918	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+Na"	22.989218
"1610982"	343.094118	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Na"	22.989218
"327947"	332.103147	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+H+Na"	23.996494
"721828"	492.155597	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+H+Na"	23.996494
"1475648"	172.050697	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H+Na"	23.996494
"1065613"	115.036223333333	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2H+Na"	25.00377
"1272635"	353.138386	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+CH3OH+H"	33.033486
"388782"	679.172958	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+K"	38.963158
"754100"	999.277858	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+K"	38.963158
"1545999"	359.068058	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+K"	38.963158
"305364"	340.090117	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+H+K"	39.970434
"705075"	500.142567	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+H+K"	39.970434
"1455980"	180.037667	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H+K"	39.970434
"247864"	682.243626	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+ACN+H"	42.033826
"1224465"	362.138726	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+ACN+H"	42.033826
"1209570"	181.573001	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+ACN+2H"	43.041102
"203173"	685.18096	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+2Na-H"	44.97116
"642609"	1005.28586	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+2Na-H"	44.97116
"1145629"	365.07606	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2Na-H"	44.97116
"186973"	343.094118	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+2Na"	45.978436
"627258"	503.146568	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+2Na"	45.978436
"1128215"	183.041668	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2Na"	45.978436
"1411984"	122.363537333333	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H+2Na"	46.985712
"1444105"	367.117646	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H+HCOOH"	47.012746
"235215"	348.12714	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+3H2O+2H"	56.04448
"1521976"	381.16969	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+IsoProp+H"	61.06479
"420932"	351.081088	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+Na+K"	61.952376
"780835"	511.133538	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+Na+K"	61.952376
"1677164"	191.028638	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Na+K"	61.952376
"258219"	704.225568	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+ACN+Na"	64.015768
"1234207"	384.120668	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+ACN+Na"	64.015768
"1724187"	384.144193	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+NH4+HCOOH"	64.039293
"1189542"	129.690851333333	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+3Na"	68.967654
"1661260"	389.099588	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Na+HCOOH"	68.994688
"163017"	717.12884	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+2K-H"	76.91904
"602576"	1037.23374	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+2K-H"	76.91904
"1089274"	397.02394	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2K-H"	76.91904
"147185"	359.068058	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"2M+2K"	77.926316
"585653"	519.120508	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"3M+2K"	77.926316
"1070164"	199.015608	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2K"	77.926316
"1100694"	399.038492	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2K+H"	78.933592
"1335861"	399.126107	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+DMSO+H"	79.021207
"1005850"	403.165276	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2ACN+H"	83.060376
"1525558"	404.158908	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+IsoProp+Na+H"	84.054008
"999426"	202.086276	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+2ACN+2H"	84.067652
"1597209"	405.073528	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+K+HCOOH"	84.968628
"1421776"	435.105038	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+H+CF3COOH"	115.000138
"1155345"	222.599551	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+3ACN+2H"	125.094202
"1709271"	452.131585	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+NH4+CF3COOH"	132.026685
"1649298"	457.08698	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+Na+CF3COOH"	136.98208
"1576199"	473.06092	"C14223"	"Phenolphthalin"	"C20H16O4"	"320.1049"	"M+K+CF3COOH"	152.95602
"813129"	170.0732	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M"	0
"980102"	151.05481	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-H2O-H"	-19.01839
"69438"	112.374857333333	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M-3H"	-3.021828
"504628"	169.065924	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M-3H"	-3.021828
"881455"	55.6837906666667	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-3H"	-3.021828
"5379"	169.065924	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H"	-2.014552
"449313"	254.102524	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H"	-2.014552
"830398"	84.029324	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H"	-2.014552
"92465"	339.139124	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M-H"	-1.007276
"531053"	509.212324	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M-H"	-1.007276
"909709"	169.065924	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-H"	-1.007276
"62099"	356.165671	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+NH4"	16.019271
"499511"	526.238871	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+NH4"	16.019271
"879543"	186.092471	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+NH4"	16.019271
"47043"	361.121066	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+Na"	20.974666
"487078"	531.194266	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+Na"	20.974666
"863875"	191.047866	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+Na"	20.974666
"1632106"	191.047866	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na-2H"	20.974666
"106447"	187.054263	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M-H+Cl"	33.962126
"546007"	272.090863	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M-H+Cl"	33.962126
"937334"	102.017663	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+Cl"	33.962126
"275900"	375.115802	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Cl"	34.969402
"661755"	545.189002	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Cl"	34.969402
"1275982"	205.042602	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl"	34.969402
"18295"	377.095006	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+K"	36.948606
"458464"	547.168206	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+K"	36.948606
"843924"	207.021806	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+K"	36.948606
"1565226"	207.021806	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+K-2H"	36.948606
"955298"	215.071394	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+HCOOH"	44.998194
"375700"	385.144601	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+HCOOH-H"	44.998201
"360196"	399.160251	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Hac-H"	59.013851
"1506233"	229.087051	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Hac-H"	59.013851
"971587"	237.053351	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+NaCOOH"	66.980151
"122679"	205.042602	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Cl"	69.938804
"565651"	290.079202	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Cl"	69.938804
"1036596"	120.006002	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Cl"	69.938804
"1253900"	248.992085	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Br"	78.918885
"1318175"	251.048072	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+HCOOH"	80.974872
"1332752"	273.030029	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+NaCOOH"	102.956829
"924540"	283.058786	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+CF3COOH"	112.985586
"1303071"	319.035464	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+CF3COOH"	148.962264
"1382205"	135.060524	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H-2H2O"	-35.012676
"1397758"	153.0705	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H-H2O"	-17.0027
"295864"	341.153676	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H"	1.007276
"685005"	511.226876	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H"	1.007276
"1358075"	171.080476	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H"	1.007276
"129504"	171.080476	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2H"	2.014552
"573808"	256.117076	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2H"	2.014552
"1048074"	86.043876	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2H"	2.014552
"215974"	114.389409333333	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+3H"	3.021828
"655538"	171.080476	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+3H"	3.021828
"1174755"	57.6983426666667	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+3H"	3.021828
"435839"	358.180223	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+NH4"	18.033823
"800979"	528.253423	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+NH4"	18.033823
"1696096"	188.107023	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4"	18.033823
"344372"	179.5937495	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+NH4"	19.041099
"738374"	264.6303495	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+NH4"	19.041099
"1492601"	94.5571495	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+NH4"	19.041099
"405277"	363.135618	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Na"	22.989218
"764085"	533.208818	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Na"	22.989218
"1613278"	193.062418	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na"	22.989218
"327326"	182.071447	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+Na"	23.996494
"722424"	267.108047	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+Na"	23.996494
"1476853"	97.034847	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+Na"	23.996494
"1067181"	65.0256566666667	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2H+Na"	25.00377
"1272265"	203.106686	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+CH3OH+H"	33.033486
"390349"	379.109558	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+K"	38.963158
"754224"	549.182758	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+K"	38.963158
"1547201"	209.036358	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+K"	38.963158
"303285"	190.058417	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+K"	39.970434
"702269"	275.095017	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+K"	39.970434
"1456092"	105.021817	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+K"	39.970434
"247974"	382.180226	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+ACN+H"	42.033826
"1225469"	212.107026	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+H"	42.033826
"1209800"	106.557151	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+2H"	43.041102
"202798"	385.11756	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Na-H"	44.97116
"641385"	555.19076	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Na-H"	44.97116
"1146223"	215.04436	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Na-H"	44.97116
"186722"	193.062418	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Na"	45.978436
"627373"	278.099018	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Na"	45.978436
"1130513"	108.025818	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Na"	45.978436
"1413308"	72.3529706666667	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+2Na"	46.985712
"1444339"	217.085946	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+HCOOH"	47.012746
"234388"	198.09544	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+3H2O+2H"	56.04448
"1523909"	231.13799	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+IsoProp+H"	61.06479
"419950"	201.049388	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Na+K"	61.952376
"782038"	286.085988	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Na+K"	61.952376
"1679460"	116.012788	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+K"	61.952376
"261609"	404.162168	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+ACN+Na"	64.015768
"1236503"	234.088968	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+Na"	64.015768
"1723206"	234.112493	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4+HCOOH"	64.039293
"1190382"	79.6802846666667	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+3Na"	68.967654
"1659547"	239.067888	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+HCOOH"	68.994688
"167501"	417.06544	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2K-H"	76.91904
"605967"	587.13864	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2K-H"	76.91904
"1092665"	246.99224	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K-H"	76.91904
"147295"	209.036358	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2K"	77.926316
"589043"	294.072958	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2K"	77.926316
"1075742"	123.999758	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K"	77.926316
"1100683"	249.006792	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K+H"	78.933592
"1336338"	249.094407	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+DMSO+H"	79.021207
"1011680"	253.133576	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2ACN+H"	83.060376
"1526524"	254.127208	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+IsoProp+Na+H"	84.054008
"999536"	127.070426	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+2ACN+2H"	84.067652
"1598412"	255.041828	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+K+HCOOH"	84.968628
"1421886"	285.073338	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+CF3COOH"	115.000138
"1161896"	147.583701	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+3ACN+2H"	125.094202
"1712584"	302.099885	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4+CF3COOH"	132.026685
"1645033"	307.05528	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+CF3COOH"	136.98208
"1582872"	323.02922	"C14224"	"4-Hydroxybiphenyl;4-Phenylphenol"	"C12H10O"	"170.0732"	"M+K+CF3COOH"	152.95602
"813239"	242.1307	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M"	0
"980212"	223.11231	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H2O-H"	-19.01839
"69548"	160.413190666667	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-3H"	-3.021828
"503237"	241.123424	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-3H"	-3.021828
"880716"	79.7029573333333	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-3H"	-3.021828
"5489"	241.123424	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H"	-2.014552
"449423"	362.188774	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H"	-2.014552
"830508"	120.058074	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H"	-2.014552
"93749"	483.254124	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-H"	-1.007276
"530070"	725.384824	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-H"	-1.007276
"909696"	241.123424	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H"	-1.007276
"62004"	500.280671	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H+NH4"	16.019271
"501686"	742.411371	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H+NH4"	16.019271
"879728"	258.149971	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H+NH4"	16.019271
"46583"	505.236066	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H+Na"	20.974666
"486261"	747.366766	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H+Na"	20.974666
"862318"	263.105366	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H+Na"	20.974666
"1630030"	263.105366	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na-2H"	20.974666
"104370"	259.111763	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-H+Cl"	33.962126
"545024"	380.177113	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-H+Cl"	33.962126
"935257"	138.046413	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+Cl"	33.962126
"276009"	519.230802	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Cl"	34.969402
"667334"	761.361502	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+Cl"	34.969402
"1277552"	277.100102	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl"	34.969402
"17921"	521.210006	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H+K"	36.948606
"459668"	763.340706	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H+K"	36.948606
"846220"	279.079306	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H+K"	36.948606
"1566428"	279.079306	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K-2H"	36.948606
"955409"	287.128894	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+HCOOH"	44.998194
"375082"	529.259601	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+HCOOH-H"	44.998201
"359699"	543.275251	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Hac-H"	59.013851
"1507072"	301.144551	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Hac-H"	59.013851
"971697"	309.110851	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+NaCOOH"	66.980151
"120238"	277.100102	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2Cl"	69.938804
"565148"	398.165452	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2Cl"	69.938804
"1034432"	156.034752	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2Cl"	69.938804
"1255104"	321.049585	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Br"	78.918885
"1318645"	323.105572	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl+HCOOH"	80.974872
"1333954"	345.087529	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl+NaCOOH"	102.956829
"924650"	355.116286	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+CF3COOH"	112.985586
"1303180"	391.092964	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl+CF3COOH"	148.962264
"1381342"	207.118024	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H-2H2O"	-35.012676
"1397379"	225.128	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H-H2O"	-17.0027
"295974"	485.268676	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H"	1.007276
"681835"	727.399376	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H"	1.007276
"1358185"	243.137976	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H"	1.007276
"129614"	243.137976	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2H"	2.014552
"576104"	364.203326	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2H"	2.014552
"1048184"	122.072626	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2H"	2.014552
"217177"	162.427742666667	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+3H"	3.021828
"656741"	243.137976	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+3H"	3.021828
"1175958"	81.7175093333333	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+3H"	3.021828
"435949"	502.295223	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+NH4"	18.033823
"801341"	744.425923	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+NH4"	18.033823
"1696489"	260.164523	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+NH4"	18.033823
"344604"	251.6512495	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H+NH4"	19.041099
"737875"	372.7165995	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H+NH4"	19.041099
"1492424"	130.5858995	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+NH4"	19.041099
"405023"	507.250618	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Na"	22.989218
"764195"	749.381318	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+Na"	22.989218
"1612295"	265.119918	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na"	22.989218
"326343"	254.128947	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H+Na"	23.996494
"721683"	375.194297	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H+Na"	23.996494
"1476721"	133.063597	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+Na"	23.996494
"1066561"	89.0448233333333	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2H+Na"	25.00377
"1271887"	275.164186	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+CH3OH+H"	33.033486
"390825"	523.224558	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+K"	38.963158
"753731"	765.355258	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+K"	38.963158
"1545125"	281.093858	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K"	38.963158
"303393"	262.115917	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H+K"	39.970434
"703472"	383.181267	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H+K"	39.970434
"1457295"	141.050567	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+K"	39.970434
"248082"	526.295226	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+ACN+H"	42.033826
"1225134"	284.164526	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+ACN+H"	42.033826
"1209218"	142.585901	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+ACN+2H"	43.041102
"203757"	529.23256	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2Na-H"	44.97116
"642951"	771.36326	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2Na-H"	44.97116
"1146455"	287.10186	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2Na-H"	44.97116
"187189"	265.119918	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2Na"	45.978436
"627483"	386.185268	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2Na"	45.978436
"1130623"	144.054568	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2Na"	45.978436
"1413418"	96.3721373333333	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+2Na"	46.985712
"1445418"	289.143446	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+HCOOH"	47.012746
"233401"	270.15294	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+3H2O+2H"	56.04448
"1523858"	303.19549	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+IsoProp+H"	61.06479
"420060"	273.106888	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Na+K"	61.952376
"783241"	394.172238	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+Na+K"	61.952376
"1681192"	152.041538	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na+K"	61.952376
"263905"	548.277168	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+ACN+Na"	64.015768
"1238799"	306.146468	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+ACN+Na"	64.015768
"1724410"	306.169993	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+NH4+HCOOH"	64.039293
"1188670"	103.699451333333	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+3Na"	68.967654
"1660386"	311.125388	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na+HCOOH"	68.994688
"164331"	561.18044	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2K-H"	76.91904
"602796"	803.31114	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2K-H"	76.91904
"1087308"	319.04974	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2K-H"	76.91904
"150684"	281.093858	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2K"	77.926316
"588059"	402.159208	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2K"	77.926316
"1073665"	160.028508	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2K"	77.926316
"1101038"	321.064292	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2K+H"	78.933592
"1336208"	321.151907	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+DMSO+H"	79.021207
"1011790"	325.191076	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2ACN+H"	83.060376
"1525539"	326.184708	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+IsoProp+Na+H"	84.054008
"997458"	163.099176	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2ACN+2H"	84.067652
"1597429"	327.099328	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K+HCOOH"	84.968628
"1423089"	357.130838	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+CF3COOH"	115.000138
"1162725"	183.612451	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+3ACN+2H"	125.094202
"1711682"	374.157385	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+NH4+CF3COOH"	132.026685
"1648424"	379.11278	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na+CF3COOH"	136.98208
"1579701"	395.08672	"C14225"	"Bisphenol B;44-Dihydroxy-22-diphenylbutane;22-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K+CF3COOH"	152.95602
"815540"	164.1201	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M"	0
"986886"	145.10171	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-H2O-H"	-19.01839
"76224"	108.406124	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M-3H"	-3.021828
"503264"	163.112824	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M-3H"	-3.021828
"881190"	53.699424	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-3H"	-3.021828
"5599"	163.112824	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M-2H"	-2.014552
"449533"	245.172874	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M-2H"	-2.014552
"830376"	81.052774	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-2H"	-2.014552
"91713"	327.232924	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M-H"	-1.007276
"531273"	491.353024	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M-H"	-1.007276
"905795"	163.112824	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-H"	-1.007276
"59077"	344.259471	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M-2H+NH4"	16.019271
"499731"	508.379571	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M-2H+NH4"	16.019271
"879232"	180.139371	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-2H+NH4"	16.019271
"46285"	349.214866	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M-2H+Na"	20.974666
"483899"	513.334966	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M-2H+Na"	20.974666
"858420"	185.094766	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-2H+Na"	20.974666
"1631232"	185.094766	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Na-2H"	20.974666
"104479"	181.101163	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M-H+Cl"	33.962126
"542947"	263.161213	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M-H+Cl"	33.962126
"934275"	99.041113	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-H+Cl"	33.962126
"271744"	363.209602	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+Cl"	34.969402
"670726"	527.329702	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+Cl"	34.969402
"1277661"	199.089502	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Cl"	34.969402
"17057"	365.188806	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M-2H+K"	36.948606
"456617"	529.308906	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M-2H+K"	36.948606
"836488"	201.068706	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-2H+K"	36.948606
"1559977"	201.068706	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+K-2H"	36.948606
"947859"	209.118294	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-H+HCOOH"	44.998194
"371542"	373.238401	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+HCOOH-H"	44.998201
"356524"	387.254051	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+Hac-H"	59.013851
"1503900"	223.133951	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Hac-H"	59.013851
"970348"	231.100251	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-H+NaCOOH"	66.980151
"121441"	199.089502	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+2Cl"	69.938804
"561368"	281.149552	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+2Cl"	69.938804
"1033447"	117.029452	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2Cl"	69.938804
"1255942"	243.038985	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Br"	78.918885
"1317660"	245.094972	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Cl+HCOOH"	80.974872
"1330783"	267.076929	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Cl+NaCOOH"	102.956829
"921842"	277.105686	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M-H+CF3COOH"	112.985586
"1300737"	313.082364	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Cl+CF3COOH"	148.962264
"1381086"	129.107424	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H-2H2O"	-35.012676
"1396396"	147.1174	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H-H2O"	-17.0027
"292806"	329.247476	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+H"	1.007276
"683039"	493.367576	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+H"	1.007276
"1358295"	165.127376	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H"	1.007276
"135560"	165.127376	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+2H"	2.014552
"574027"	247.187426	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+2H"	2.014552
"1046107"	83.067326	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2H"	2.014552
"217287"	110.420676	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+3H"	3.021828
"655757"	165.127376	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+3H"	3.021828
"1177161"	55.713976	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+3H"	3.021828
"436059"	346.274023	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+NH4"	18.033823
"799980"	510.394123	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+NH4"	18.033823
"1695464"	182.153923	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+NH4"	18.033823
"344591"	173.6406495	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+H+NH4"	19.041099
"736646"	255.7006995	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+H+NH4"	19.041099
"1490831"	91.5805995	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H+NH4"	19.041099
"406838"	351.229418	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+Na"	22.989218
"766859"	515.349518	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+Na"	22.989218
"1614229"	187.109318	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Na"	22.989218
"324629"	176.118347	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+H+Na"	23.996494
"719606"	258.178397	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+H+Na"	23.996494
"1475613"	94.058297	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H+Na"	23.996494
"1067887"	63.04129	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2H+Na"	25.00377
"1270538"	197.153586	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+CH3OH+H"	33.033486
"390570"	367.203358	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+K"	38.963158
"753514"	531.323458	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+K"	38.963158
"1544142"	203.083258	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+K"	38.963158
"301681"	184.105317	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+H+K"	39.970434
"702490"	266.165367	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+H+K"	39.970434
"1455216"	102.045267	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H+K"	39.970434
"247464"	370.274026	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+ACN+H"	42.033826
"1223454"	206.153926	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+ACN+H"	42.033826
"1209734"	103.580601	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+ACN+2H"	43.041102
"203500"	373.21136	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+2Na-H"	44.97116
"642817"	537.33146	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+2Na-H"	44.97116
"1145469"	209.09126	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2Na-H"	44.97116
"187909"	187.109318	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+2Na"	45.978436
"626133"	269.169368	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+2Na"	45.978436
"1127086"	105.049268	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2Na"	45.978436
"1412435"	70.368604	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H+2Na"	46.985712
"1445405"	211.132846	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H+HCOOH"	47.012746
"235535"	192.14234	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+3H2O+2H"	56.04448
"1523812"	225.18489	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+IsoProp+H"	61.06479
"420900"	195.096288	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+Na+K"	61.952376
"782989"	277.156338	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+Na+K"	61.952376
"1677131"	113.036238	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Na+K"	61.952376
"260735"	392.255968	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+ACN+Na"	64.015768
"1237817"	228.135868	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+ACN+Na"	64.015768
"1723060"	228.159393	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+NH4+HCOOH"	64.039293
"1189509"	77.695918	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+3Na"	68.967654
"1659039"	233.114788	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Na+HCOOH"	68.994688
"162254"	405.15924	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+2K-H"	76.91904
"600720"	569.27934	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+2K-H"	76.91904
"1089605"	241.03914	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2K-H"	76.91904
"146423"	203.083258	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"2M+2K"	77.926316
"584525"	285.143308	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"3M+2K"	77.926316
"1071587"	121.023208	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2K"	77.926316
"1102609"	243.053692	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2K+H"	78.933592
"1336197"	243.141307	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+DMSO+H"	79.021207
"1011900"	247.180476	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2ACN+H"	83.060376
"1525648"	248.174108	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+IsoProp+Na+H"	84.054008
"997568"	124.093876	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+2ACN+2H"	84.067652
"1595352"	249.088728	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+K+HCOOH"	84.968628
"1419919"	279.120238	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+H+CF3COOH"	115.000138
"1160050"	144.607151	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+3ACN+2H"	125.094202
"1711669"	296.146785	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+NH4+CF3COOH"	132.026685
"1645253"	301.10218	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+Na+CF3COOH"	136.98208
"1583092"	317.07612	"C14226"	"p-tert-Amylphenol;4-t-Amylphenol;4-tert-Pentylphenol"	"C11H16O"	"164.1201"	"M+K+CF3COOH"	152.95602
"815286"	390.277	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M"	0
"986996"	371.25861	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-H2O-H"	-19.01839
"77064"	259.177390666667	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M-3H"	-3.021828
"510428"	389.269724	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M-3H"	-3.021828
"884950"	129.085057333333	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-3H"	-3.021828
"7899"	389.269724	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M-2H"	-2.014552
"451834"	584.408224	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M-2H"	-2.014552
"831465"	194.131224	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-2H"	-2.014552
"92798"	779.546724	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M-H"	-1.007276
"533816"	1169.823724	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M-H"	-1.007276
"909917"	389.269724	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-H"	-1.007276
"60649"	796.573271	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M-2H+NH4"	16.019271
"502274"	1186.850271	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M-2H+NH4"	16.019271
"875453"	406.296271	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-2H+NH4"	16.019271
"43355"	801.528666	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M-2H+Na"	20.974666
"481823"	1191.805666	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M-2H+Na"	20.974666
"856343"	411.251666	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-2H+Na"	20.974666
"1629157"	411.251666	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Na-2H"	20.974666
"104955"	407.258063	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M-H+Cl"	33.962126
"540870"	602.396563	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M-H+Cl"	33.962126
"933291"	212.119563	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-H+Cl"	33.962126
"276229"	815.523402	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+Cl"	34.969402
"670836"	1205.800402	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+Cl"	34.969402
"1281053"	425.246402	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Cl"	34.969402
"16316"	817.502606	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M-2H+K"	36.948606
"462077"	1207.779606	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M-2H+K"	36.948606
"839880"	427.225606	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-2H+K"	36.948606
"1565555"	427.225606	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+K-2H"	36.948606
"952346"	435.275194	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-H+HCOOH"	44.998194
"374572"	825.552201	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+HCOOH-H"	44.998201
"357728"	839.567851	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+Hac-H"	59.013851
"1506926"	449.290851	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Hac-H"	59.013851
"969365"	457.257151	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-H+NaCOOH"	66.980151
"124105"	425.246402	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+2Cl"	69.938804
"560383"	620.384902	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+2Cl"	69.938804
"1031370"	230.107902	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2Cl"	69.938804
"1253864"	469.195885	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Br"	78.918885
"1318138"	471.251872	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Cl+HCOOH"	80.974872
"1333083"	493.233829	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Cl+NaCOOH"	102.956829
"923777"	503.262586	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M-H+CF3COOH"	112.985586
"1298297"	539.239264	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Cl+CF3COOH"	148.962264
"1375729"	355.264324	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H-2H2O"	-35.012676
"1395415"	373.2743	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H-H2O"	-17.0027
"291821"	781.561276	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+H"	1.007276
"683149"	1171.838276	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+H"	1.007276
"1358405"	391.284276	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H"	1.007276
"136398"	391.284276	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+2H"	2.014552
"573773"	586.422776	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+2H"	2.014552
"1046217"	196.145776	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2H"	2.014552
"214117"	261.191942666667	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+3H"	3.021828
"657689"	391.284276	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+3H"	3.021828
"1176907"	131.099609333333	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+3H"	3.021828
"436169"	798.587823	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+NH4"	18.033823
"799726"	1188.864823	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+NH4"	18.033823
"1695691"	408.310823	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+NH4"	18.033823
"343240"	399.7975495	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+H+NH4"	19.041099
"737367"	594.9360495	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+H+NH4"	19.041099
"1488755"	204.6590495	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H+NH4"	19.041099
"405246"	803.543218	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+Na"	22.989218
"767334"	1193.820218	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+Na"	22.989218
"1614339"	413.266218	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Na"	22.989218
"326562"	402.275247	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+H+Na"	23.996494
"718622"	597.413747	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+H+Na"	23.996494
"1475723"	207.136747	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H+Na"	23.996494
"1067755"	138.426923333333	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2H+Na"	25.00377
"1271376"	423.310486	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+CH3OH+H"	33.033486
"392545"	819.517158	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+K"	38.963158
"753507"	1209.794158	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+K"	38.963158
"1548627"	429.240158	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+K"	38.963158
"303979"	410.262217	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+H+K"	39.970434
"702236"	605.400717	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+H+K"	39.970434
"1457878"	215.123717	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H+K"	39.970434
"247574"	822.587826	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+ACN+H"	42.033826
"1224417"	432.310826	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+ACN+H"	42.033826
"1208675"	216.659051	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+ACN+2H"	43.041102
"202156"	825.52516	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+2Na-H"	44.97116
"641352"	1215.80216	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+2Na-H"	44.97116
"1144491"	435.24816	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2Na-H"	44.97116
"185956"	413.266218	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+2Na"	45.978436
"625881"	608.404718	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+2Na"	45.978436
"1129024"	218.127718	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2Na"	45.978436
"1412549"	145.754237333333	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H+2Na"	46.985712
"1444666"	437.289746	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H+HCOOH"	47.012746
"234360"	418.29924	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+3H2O+2H"	56.04448
"1523597"	451.34179	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+IsoProp+H"	61.06479
"423197"	421.253188	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+Na+K"	61.952376
"783466"	616.391688	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+Na+K"	61.952376
"1676880"	226.114688	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Na+K"	61.952376
"265585"	844.569768	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+ACN+Na"	64.015768
"1238657"	454.292768	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+ACN+Na"	64.015768
"1722806"	454.316293	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+NH4+HCOOH"	64.039293
"1189619"	153.081551333333	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+3Na"	68.967654
"1659149"	459.271688	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Na+HCOOH"	68.994688
"161271"	857.47304	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+2K-H"	76.91904
"599738"	1247.75004	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+2K-H"	76.91904
"1091904"	467.19604	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2K-H"	76.91904
"143980"	429.240158	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"2M+2K"	77.926316
"584998"	624.378658	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"3M+2K"	77.926316
"1069750"	234.101658	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2K"	77.926316
"1101870"	469.210592	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2K+H"	78.933592
"1338013"	469.298207	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+DMSO+H"	79.021207
"1007878"	473.337376	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2ACN+H"	83.060376
"1524666"	474.331008	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+IsoProp+Na+H"	84.054008
"999867"	237.172326	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+2ACN+2H"	84.067652
"1597653"	475.245628	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+K+HCOOH"	84.968628
"1426594"	505.277138	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+H+CF3COOH"	115.000138
"1160162"	257.685601	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+3ACN+2H"	125.094202
"1710809"	522.303685	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+NH4+CF3COOH"	132.026685
"1648643"	527.25908	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+Na+CF3COOH"	136.98208
"1583202"	543.23302	"C14227"	"Di-n-octyl phthalate;Bis(n-octyl) phthalate;Dioctyl 12-benzenedicarboxylate"	"C24H38O4"	"390.277"	"M+K+CF3COOH"	152.95602
"816489"	263.0017	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M"	0
"987106"	243.98331	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-H2O-H"	-19.01839
"78420"	174.327190666667	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M-3H"	-3.021828
"513818"	261.994424	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M-3H"	-3.021828
"890527"	86.6599573333333	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-3H"	-3.021828
"8009"	261.994424	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M-2H"	-2.014552
"455390"	393.495274	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M-2H"	-2.014552
"832546"	130.493574	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-2H"	-2.014552
"93031"	524.996124	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M-H"	-1.007276
"532353"	787.997824	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M-H"	-1.007276
"909787"	261.994424	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-H"	-1.007276
"61611"	542.022671	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M-2H+NH4"	16.019271
"500932"	805.024371	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M-2H+NH4"	16.019271
"878605"	279.020971	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-2H+NH4"	16.019271
"45411"	546.978066	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M-2H+Na"	20.974666
"481934"	809.979766	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M-2H+Na"	20.974666
"855361"	283.976366	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-2H+Na"	20.974666
"1628174"	283.976366	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Na-2H"	20.974666
"104702"	279.982763	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M-H+Cl"	33.962126
"548150"	411.483613	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M-H+Cl"	33.962126
"936683"	148.481913	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-H+Cl"	33.962126
"277431"	560.972802	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+Cl"	34.969402
"667666"	823.974502	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+Cl"	34.969402
"1281164"	297.971102	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Cl"	34.969402
"24813"	562.952006	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M-2H+K"	36.948606
"467655"	825.953706	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M-2H+K"	36.948606
"846188"	299.950306	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-2H+K"	36.948606
"1570649"	299.950306	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+K-2H"	36.948606
"957604"	307.999894	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-H+HCOOH"	44.998194
"375050"	571.001601	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+HCOOH-H"	44.998201
"357837"	585.017251	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+Hac-H"	59.013851
"1507038"	322.015551	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Hac-H"	59.013851
"969838"	329.981851	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-H+NaCOOH"	66.980151
"123122"	297.971102	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+2Cl"	69.938804
"559400"	429.471952	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+2Cl"	69.938804
"1031480"	166.470252	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2Cl"	69.938804
"1253246"	341.920585	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Br"	78.918885
"1316789"	343.976572	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Cl+HCOOH"	80.974872
"1332100"	365.958529	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Cl+NaCOOH"	102.956829
"924863"	375.987286	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M-H+CF3COOH"	112.985586
"1301691"	411.963964	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Cl+CF3COOH"	148.962264
"1380944"	227.989024	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H-2H2O"	-35.012676
"1396257"	245.999	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H-H2O"	-17.0027
"286463"	527.010676	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+H"	1.007276
"683260"	790.012376	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+H"	1.007276
"1361796"	264.008976	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H"	1.007276
"137243"	264.008976	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+2H"	2.014552
"578625"	395.509826	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+2H"	2.014552
"1051069"	132.508126	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2H"	2.014552
"219213"	176.341742666667	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+3H"	3.021828
"659257"	264.008976	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+3H"	3.021828
"1177390"	88.6745093333333	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+3H"	3.021828
"439531"	544.037223	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+NH4"	18.033823
"800564"	807.038923	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+NH4"	18.033823
"1696167"	281.035523	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+NH4"	18.033823
"344811"	272.5222495	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+H+NH4"	19.041099
"737842"	404.0230995	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+H+NH4"	19.041099
"1490320"	141.0213995	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H+NH4"	19.041099
"405356"	548.992618	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+Na"	22.989218
"769146"	811.994318	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+Na"	22.989218
"1617371"	285.990918	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Na"	22.989218
"328497"	274.999947	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+H+Na"	23.996494
"720917"	406.500797	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+H+Na"	23.996494
"1476439"	143.499097	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H+Na"	23.996494
"1067253"	96.0018233333333	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2H+Na"	25.00377
"1272342"	296.035186	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+CH3OH+H"	33.033486
"392782"	564.966558	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+K"	38.963158
"753006"	827.968258	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+K"	38.963158
"1544363"	301.964858	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+K"	38.963158
"311748"	282.986917	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+H+K"	39.970434
"706363"	414.487767	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+H+K"	39.970434
"1460914"	151.486067	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H+K"	39.970434
"250248"	568.037226	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+ACN+H"	42.033826
"1223690"	305.035526	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+ACN+H"	42.033826
"1206842"	153.021401	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+ACN+2H"	43.041102
"201901"	570.97456	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+2Na-H"	44.97116
"641097"	833.97626	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+2Na-H"	44.97116
"1144238"	307.97286	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2Na-H"	44.97116
"187166"	285.990918	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+2Na"	45.978436
"626358"	417.491768	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+2Na"	45.978436
"1129137"	154.490068	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2Na"	45.978436
"1412298"	103.329137333333	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H+2Na"	46.985712
"1442952"	310.014446	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H+HCOOH"	47.012746
"234473"	291.02394	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+3H2O+2H"	56.04448
"1521802"	324.06649	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+IsoProp+H"	61.06479
"422585"	293.977888	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+Na+K"	61.952376
"783214"	425.478738	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+Na+K"	61.952376
"1678450"	162.477038	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Na+K"	61.952376
"264970"	590.019168	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+ACN+Na"	64.015768
"1239138"	327.017468	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+ACN+Na"	64.015768
"1719274"	327.040993	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+NH4+HCOOH"	64.039293
"1185722"	110.656451333333	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+3Na"	68.967654
"1660352"	331.996388	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Na+HCOOH"	68.994688
"160286"	602.92244	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+2K-H"	76.91904
"600937"	865.92414	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+2K-H"	76.91904
"1087639"	339.92074	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2K-H"	76.91904
"144456"	301.964858	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"2M+2K"	77.926316
"586204"	433.465708	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"3M+2K"	77.926316
"1073997"	170.464008	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2K"	77.926316
"1102832"	341.935292	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2K+H"	78.933592
"1339582"	342.022907	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+DMSO+H"	79.021207
"1006896"	346.062076	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2ACN+H"	83.060376
"1525506"	347.055708	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+IsoProp+Na+H"	84.054008
"991592"	173.534676	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+2ACN+2H"	84.067652
"1592292"	347.970328	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+K+HCOOH"	84.968628
"1416858"	378.001838	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+H+CF3COOH"	115.000138
"1153710"	194.047951	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+3ACN+2H"	125.094202
"1710553"	395.028385	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+NH4+CF3COOH"	132.026685
"1642193"	399.98378	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+Na+CF3COOH"	136.98208
"1583312"	415.95772	"C14228"	"Parathion-methyl;Methyl parathion;Methylparathion"	"C8H10NO5PS"	"263.0017"	"M+K+CF3COOH"	152.95602
"813683"	217.0061	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M"	0
"983937"	197.98771	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-H2O-H"	-19.01839
"76553"	143.663457333333	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M-3H"	-3.021828
"510648"	215.998824	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M-3H"	-3.021828
"886264"	71.3280906666667	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-3H"	-3.021828
"12495"	215.998824	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M-2H"	-2.014552
"455536"	324.501874	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M-2H"	-2.014552
"832046"	107.495774	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-2H"	-2.014552
"93385"	433.004924	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M-H"	-1.007276
"533880"	650.011024	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M-H"	-1.007276
"910628"	215.998824	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-H"	-1.007276
"62324"	450.031471	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M-2H+NH4"	16.019271
"502623"	667.037571	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M-2H+NH4"	16.019271
"878834"	233.025371	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-2H+NH4"	16.019271
"44670"	454.986866	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M-2H+Na"	20.974666
"482044"	671.992966	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M-2H+Na"	20.974666
"857658"	237.980766	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-2H+Na"	20.974666
"1627192"	237.980766	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Na-2H"	20.974666
"105906"	233.987163	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M-H+Cl"	33.962126
"539997"	342.490213	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M-H+Cl"	33.962126
"935700"	125.484113	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-H+Cl"	33.962126
"279728"	468.981602	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+Cl"	34.969402
"667777"	685.987702	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+Cl"	34.969402
"1277993"	251.975502	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Cl"	34.969402
"24923"	470.960806	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M-2H+K"	36.948606
"468859"	687.966906	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M-2H+K"	36.948606
"845568"	253.954706	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-2H+K"	36.948606
"1566868"	253.954706	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+K-2H"	36.948606
"958034"	262.004294	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-H+HCOOH"	44.998194
"376252"	479.010401	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+HCOOH-H"	44.998201
"355760"	493.026051	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+Hac-H"	59.013851
"1506779"	276.019951	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Hac-H"	59.013851
"966668"	283.986251	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-H+NaCOOH"	66.980151
"122136"	251.975502	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+2Cl"	69.938804
"559510"	360.478552	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+2Cl"	69.938804
"1031590"	143.472452	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2Cl"	69.938804
"1252262"	295.924985	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Br"	78.918885
"1316899"	297.980972	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Cl+HCOOH"	80.974872
"1332944"	319.962929	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Cl+NaCOOH"	102.956829
"923273"	329.991686	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M-H+CF3COOH"	112.985586
"1301073"	365.968364	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Cl+CF3COOH"	148.962264
"1379600"	181.993424	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H-2H2O"	-35.012676
"1395275"	200.0034	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H-H2O"	-17.0027
"286573"	435.019476	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+H"	1.007276
"683370"	652.025576	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+H"	1.007276
"1359718"	218.013376	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H"	1.007276
"138081"	218.013376	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+2H"	2.014552
"578735"	326.516426	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+2H"	2.014552
"1048263"	109.510326	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2H"	2.014552
"216163"	145.678009333333	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+3H"	3.021828
"659003"	218.013376	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+3H"	3.021828
"1177255"	73.3426426666667	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+3H"	3.021828
"438829"	452.046023	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+NH4"	18.033823
"800308"	669.052123	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+NH4"	18.033823
"1695910"	235.039923	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+NH4"	18.033823
"344556"	226.5266495	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+H+NH4"	19.041099
"736612"	335.0296995	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+H+NH4"	19.041099
"1490794"	118.0235995	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H+NH4"	19.041099
"406559"	457.001418	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+Na"	22.989218
"769375"	674.007518	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+Na"	22.989218
"1617112"	239.995318	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Na"	22.989218
"328851"	229.004347	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+H+Na"	23.996494
"722442"	337.507397	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+H+Na"	23.996494
"1476877"	120.501297	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H+Na"	23.996494
"1068143"	80.6699566666667	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2H+Na"	25.00377
"1272524"	250.039586	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+CH3OH+H"	33.033486
"392767"	472.975358	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+K"	38.963158
"753481"	689.981458	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+K"	38.963158
"1548848"	255.969258	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+K"	38.963158
"313887"	236.991317	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+H+K"	39.970434
"706761"	345.494367	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+H+K"	39.970434
"1461025"	128.488267	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H+K"	39.970434
"250236"	476.046026	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+ACN+H"	42.033826
"1225171"	259.039926	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+ACN+H"	42.033826
"1207682"	130.023601	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+ACN+2H"	43.041102
"202007"	478.98336	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+2Na-H"	44.97116
"643270"	695.98946	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+2Na-H"	44.97116
"1144714"	261.97726	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2Na-H"	44.97116
"185817"	239.995318	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+2Na"	45.978436
"626468"	348.498368	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+2Na"	45.978436
"1129246"	131.492268	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2Na"	45.978436
"1412895"	87.9972706666667	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H+2Na"	46.985712
"1444524"	264.018846	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H+HCOOH"	47.012746
"234949"	245.02834	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+3H2O+2H"	56.04448
"1521181"	278.07089	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+IsoProp+H"	61.06479
"421965"	247.982288	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+Na+K"	61.952376
"783325"	356.485338	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+Na+K"	61.952376
"1678199"	139.479238	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Na+K"	61.952376
"263625"	498.027968	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+ACN+Na"	64.015768
"1238517"	281.021868	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+ACN+Na"	64.015768
"1719384"	281.045393	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+NH4+HCOOH"	64.039293
"1185832"	95.3245846666667	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+3Na"	68.967654
"1660097"	286.000788	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Na+HCOOH"	68.994688
"161492"	510.93124	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+2K-H"	76.91904
"598133"	727.93734	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+2K-H"	76.91904
"1088840"	293.92514	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2K-H"	76.91904
"146751"	255.969258	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"2M+2K"	77.926316
"587408"	364.472308	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"3M+2K"	77.926316
"1069125"	147.466208	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2K"	77.926316
"1102090"	295.939692	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2K+H"	78.933592
"1337382"	296.027307	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+DMSO+H"	79.021207
"1008952"	300.066476	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2ACN+H"	83.060376
"1528171"	301.060108	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+IsoProp+Na+H"	84.054008
"991339"	150.536876	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+2ACN+2H"	84.067652
"1594591"	301.974728	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+K+HCOOH"	84.968628
"1423531"	332.006238	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+H+CF3COOH"	115.000138
"1153820"	171.050151	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+3ACN+2H"	125.094202
"1708841"	349.032785	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+NH4+CF3COOH"	132.026685
"1639024"	353.98818	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+Na+CF3COOH"	136.98208
"1583422"	369.96212	"C14229"	"Propanil;DCPA;N-(34-Dichlorophenyl)propanamide"	"C9H9Cl2NO"	"217.0061"	"M+K+CF3COOH"	152.95602
"814886"	198.0681	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M"	0
"984047"	179.04971	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-H2O-H"	-19.01839
"73383"	131.038124	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M-3H"	-3.021828
"507478"	197.060824	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M-3H"	-3.021828
"887467"	65.015424	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-3H"	-3.021828
"12604"	197.060824	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M-2H"	-2.014552
"455333"	296.094874	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M-2H"	-2.014552
"831794"	98.026774	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-2H"	-2.014552
"93858"	395.128924	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M-H"	-1.007276
"533785"	593.197024	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M-H"	-1.007276
"909156"	197.060824	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-H"	-1.007276
"62720"	412.155471	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M-2H+NH4"	16.019271
"502524"	610.223571	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M-2H+NH4"	16.019271
"878706"	214.087371	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-2H+NH4"	16.019271
"44780"	417.110866	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M-2H+Na"	20.974666
"483248"	615.178966	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M-2H+Na"	20.974666
"855582"	219.042766	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-2H+Na"	20.974666
"1626209"	219.042766	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Na-2H"	20.974666
"107110"	215.049163	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M-H+Cl"	33.962126
"539014"	314.083213	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M-H+Cl"	33.962126
"933623"	116.015113	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-H+Cl"	33.962126
"280567"	431.105602	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+Cl"	34.969402
"667887"	629.173702	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+Cl"	34.969402
"1286124"	233.037502	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Cl"	34.969402
"25033"	433.084806	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M-2H+K"	36.948606
"470428"	631.152906	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M-2H+K"	36.948606
"845678"	235.016706	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-2H+K"	36.948606
"1566978"	235.016706	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+K-2H"	36.948606
"956687"	243.066294	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-H+HCOOH"	44.998194
"374905"	441.134401	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+HCOOH-H"	44.998201
"355870"	455.150051	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+Hac-H"	59.013851
"1503608"	257.081951	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Hac-H"	59.013851
"966777"	265.048251	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-H+NaCOOH"	66.980151
"115684"	233.037502	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+2Cl"	69.938804
"562901"	332.071552	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+2Cl"	69.938804
"1031700"	134.003452	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2Cl"	69.938804
"1249091"	276.986985	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Br"	78.918885
"1311540"	279.042972	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Cl+HCOOH"	80.974872
"1332689"	301.024929	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Cl+NaCOOH"	102.956829
"923747"	311.053686	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M-H+CF3COOH"	112.985586
"1303129"	347.030364	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Cl+CF3COOH"	148.962264
"1380438"	163.055424	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H-2H2O"	-35.012676
"1395749"	181.0654	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H-H2O"	-17.0027
"286684"	397.143476	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+H"	1.007276
"684575"	595.211576	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+H"	1.007276
"1360921"	199.075376	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H"	1.007276
"134908"	199.075376	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+2H"	2.014552
"576293"	298.109426	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+2H"	2.014552
"1051289"	100.041326	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2H"	2.014552
"216637"	133.052676	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+3H"	3.021828
"658384"	199.075376	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+3H"	3.021828
"1177605"	67.029976	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+3H"	3.021828
"439058"	414.170023	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+NH4"	18.033823
"799929"	612.238123	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+NH4"	18.033823
"1696139"	216.101923	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+NH4"	18.033823
"344780"	207.5886495	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+H+NH4"	19.041099
"735992"	306.6226995	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+H+NH4"	19.041099
"1489447"	108.5545995	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H+NH4"	19.041099
"405577"	419.125418	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+Na"	22.989218
"764745"	617.193518	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+Na"	22.989218
"1616856"	221.057318	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Na"	22.989218
"329446"	210.066347	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+H+Na"	23.996494
"722230"	309.100397	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+H+Na"	23.996494
"1476739"	111.032297	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H+Na"	23.996494
"1068370"	74.35729	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2H+Na"	25.00377
"1271702"	231.101586	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+CH3OH+H"	33.033486
"392709"	435.099358	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+K"	38.963158
"753104"	633.167458	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+K"	38.963158
"1547866"	237.031258	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+K"	38.963158
"313960"	218.053317	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+H+K"	39.970434
"706896"	317.087367	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+H+K"	39.970434
"1460765"	119.019267	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H+K"	39.970434
"250949"	438.170026	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+ACN+H"	42.033826
"1224267"	240.101926	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+ACN+H"	42.033826
"1208279"	120.554601	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+ACN+2H"	43.041102
"201757"	441.10736	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+2Na-H"	44.97116
"643137"	639.17546	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+2Na-H"	44.97116
"1144824"	243.03926	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2Na-H"	44.97116
"186655"	221.057318	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+2Na"	45.978436
"626215"	320.091368	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+2Na"	45.978436
"1130573"	122.023268	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2Na"	45.978436
"1413367"	81.684604	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H+2Na"	46.985712
"1444995"	245.080846	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H+HCOOH"	47.012746
"235060"	226.09034	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+3H2O+2H"	56.04448
"1523117"	259.13289	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+IsoProp+H"	61.06479
"423168"	229.044288	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+Na+K"	61.952376
"784164"	328.078338	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+Na+K"	61.952376
"1678308"	130.010238	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Na+K"	61.952376
"264464"	460.151968	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+ACN+Na"	64.015768
"1237901"	262.083868	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+ACN+Na"	64.015768
"1719494"	262.107393	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+NH4+HCOOH"	64.039293
"1189222"	89.011918	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+3Na"	68.967654
"1662032"	267.062788	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Na+HCOOH"	68.994688
"161602"	473.05524	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+2K-H"	76.91904
"600067"	671.12334	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+2K-H"	76.91904
"1088222"	274.98714	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2K-H"	76.91904
"147954"	237.031258	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"2M+2K"	77.926316
"589705"	336.065308	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"3M+2K"	77.926316
"1072030"	137.997208	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2K"	77.926316
"1101958"	277.001692	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2K+H"	78.933592
"1337250"	277.089307	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+DMSO+H"	79.021207
"1011248"	281.128476	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2ACN+H"	83.060376
"1528281"	282.122108	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+IsoProp+Na+H"	84.054008
"991449"	141.067876	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+2ACN+2H"	84.067652
"1594701"	283.036728	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+K+HCOOH"	84.968628
"1422548"	313.068238	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+H+CF3COOH"	115.000138
"1153930"	161.581151	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+3ACN+2H"	125.094202
"1709680"	330.094785	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+NH4+CF3COOH"	132.026685
"1639134"	335.05018	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+Na+CF3COOH"	136.98208
"1583532"	351.02412	"C14230"	"4-Hydroxybenzophenone;(4-Hydroxyphenyl)phenylmethanone"	"C13H10O2"	"198.0681"	"M+K+CF3COOH"	152.95602
"812811"	224.0837	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M"	0
"977597"	205.06531	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H2O-H"	-19.01839
"70213"	148.381857333333	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-3H"	-3.021828
"507588"	223.076424	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-3H"	-3.021828
"883202"	73.6872906666667	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-3H"	-3.021828
"8339"	223.076424	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H"	-2.014552
"454997"	335.118274	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H"	-2.014552
"830810"	111.034574	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H"	-2.014552
"94087"	447.160124	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-H"	-1.007276
"533409"	671.243824	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-H"	-1.007276
"910235"	223.076424	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H"	-1.007276
"60723"	464.186671	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+NH4"	16.019271
"502306"	688.270371	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+NH4"	16.019271
"878082"	240.102971	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+NH4"	16.019271
"45984"	469.142066	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+Na"	20.974666
"484451"	693.225766	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+Na"	20.974666
"852412"	245.058366	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+Na"	20.974666
"1621945"	245.058366	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na-2H"	20.974666
"102846"	241.064763	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-H+Cl"	33.962126
"540218"	353.106613	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-H+Cl"	33.962126
"933733"	129.022913	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+Cl"	33.962126
"277761"	483.136802	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Cl"	34.969402
"667997"	707.220502	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Cl"	34.969402
"1281494"	259.053102	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl"	34.969402
"26236"	485.116006	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+K"	36.948606
"467985"	709.199706	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+K"	36.948606
"845788"	261.032306	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+K"	36.948606
"1559433"	261.032306	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K-2H"	36.948606
"956797"	269.081894	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+HCOOH"	44.998194
"377018"	493.165601	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+HCOOH-H"	44.998201
"355980"	507.181251	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Hac-H"	59.013851
"1503718"	283.097551	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Hac-H"	59.013851
"966887"	291.063851	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+NaCOOH"	66.980151
"114701"	259.053102	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Cl"	69.938804
"561918"	371.094952	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Cl"	69.938804
"1031810"	147.011252	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Cl"	69.938804
"1249201"	303.002585	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Br"	78.918885
"1310557"	305.058572	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+HCOOH"	80.974872
"1334256"	327.040529	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+NaCOOH"	102.956829
"926408"	337.069286	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+CF3COOH"	112.985586
"1303478"	373.045964	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+CF3COOH"	148.962264
"1381644"	189.071024	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H-2H2O"	-35.012676
"1396226"	207.081	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H-H2O"	-17.0027
"287887"	449.174676	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H"	1.007276
"686871"	673.258376	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H"	1.007276
"1361031"	225.090976	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H"	1.007276
"134290"	225.090976	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2H"	2.014552
"574578"	337.132826	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2H"	2.014552
"1046294"	113.049126	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2H"	2.014552
"216747"	150.396409333333	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+3H"	3.021828
"654847"	225.090976	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+3H"	3.021828
"1175891"	75.7018426666667	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3H"	3.021828
"438683"	466.201223	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+NH4"	18.033823
"797973"	690.284923	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+NH4"	18.033823
"1695402"	242.117523	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4"	18.033823
"342946"	233.6042495	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+NH4"	19.041099
"736468"	345.6460995	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+NH4"	19.041099
"1490653"	121.5623995	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+NH4"	19.041099
"406052"	471.156618	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Na"	22.989218
"768871"	695.240318	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Na"	22.989218
"1616481"	247.072918	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na"	22.989218
"328340"	236.081947	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+Na"	23.996494
"719425"	348.123797	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+Na"	23.996494
"1475191"	124.040097	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+Na"	23.996494
"1066738"	83.0291566666667	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2H+Na"	25.00377
"1271209"	257.117186	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+CH3OH+H"	33.033486
"391115"	487.130558	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+K"	38.963158
"752848"	711.214258	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+K"	38.963158
"1551623"	263.046858	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K"	38.963158
"314028"	244.068917	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+K"	39.970434
"706614"	356.110767	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+K"	39.970434
"1460754"	132.027067	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+K"	39.970434
"251060"	490.201226	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+ACN+H"	42.033826
"1224741"	266.117526	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+H"	42.033826
"1208750"	133.562401	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+2H"	43.041102
"202955"	493.13856	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Na-H"	44.97116
"642153"	717.22226	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Na-H"	44.97116
"1143109"	269.05486	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Na-H"	44.97116
"185671"	247.072918	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Na"	45.978436
"625958"	359.114768	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Na"	45.978436
"1129828"	135.031068	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Na"	45.978436
"1411896"	90.3564706666667	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+2Na"	46.985712
"1444255"	271.096446	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+HCOOH"	47.012746
"234072"	252.10594	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+3H2O+2H"	56.04448
"1522499"	285.14849	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+IsoProp+H"	61.06479
"423275"	255.059888	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Na+K"	61.952376
"784270"	367.101738	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Na+K"	61.952376
"1678049"	143.018038	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+K"	61.952376
"265663"	512.183168	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+ACN+Na"	64.015768
"1239103"	288.099468	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+Na"	64.015768
"1725068"	288.122993	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4+HCOOH"	64.039293
"1192489"	97.6837846666667	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3Na"	68.967654
"1662505"	293.078388	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+HCOOH"	68.994688
"163900"	525.08644	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2K-H"	76.91904
"600176"	749.17014	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2K-H"	76.91904
"1087240"	301.00274	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K-H"	76.91904
"145149"	263.046858	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2K"	77.926316
"587629"	375.088708	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2K"	77.926316
"1073233"	151.005008	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K"	77.926316
"1100975"	303.017292	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K+H"	78.933592
"1336267"	303.104907	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+DMSO+H"	79.021207
"1012451"	307.144076	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2ACN+H"	83.060376
"1529484"	308.137708	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+IsoProp+Na+H"	84.054008
"991923"	154.075676	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2ACN+2H"	84.067652
"1594811"	309.052328	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K+HCOOH"	84.968628
"1420471"	339.083838	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+CF3COOH"	115.000138
"1154040"	174.588951	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3ACN+2H"	125.094202
"1710154"	356.110385	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4+CF3COOH"	132.026685
"1642524"	361.06578	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+CF3COOH"	136.98208
"1583642"	377.03972	"C14231"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K+CF3COOH"	152.95602
"815107"	224.0837	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M"	0
"978800"	205.06531	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H2O-H"	-19.01839
"70323"	148.381857333333	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-3H"	-3.021828
"505874"	223.076424	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-3H"	-3.021828
"883312"	73.6872906666667	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-3H"	-3.021828
"6262"	223.076424	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H"	-2.014552
"453479"	335.118274	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H"	-2.014552
"831775"	111.034574	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H"	-2.014552
"92980"	447.160124	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-H"	-1.007276
"533270"	671.243824	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-H"	-1.007276
"910221"	223.076424	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H"	-1.007276
"59373"	464.186671	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+NH4"	16.019271
"498934"	688.270371	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+NH4"	16.019271
"877098"	240.102971	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+NH4"	16.019271
"45605"	469.142066	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+Na"	20.974666
"480186"	693.225766	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+Na"	20.974666
"851428"	245.058366	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+Na"	20.974666
"1620961"	245.058366	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na-2H"	20.974666
"94308"	241.064763	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-H+Cl"	33.962126
"534818"	353.106613	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-H+Cl"	33.962126
"927767"	129.022913	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+Cl"	33.962126
"271312"	483.136802	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Cl"	34.969402
"661546"	707.220502	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Cl"	34.969402
"1273948"	259.053102	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl"	34.969402
"21972"	485.116006	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M-2H+K"	36.948606
"461533"	709.199706	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M-2H+K"	36.948606
"839336"	261.032306	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-2H+K"	36.948606
"1557356"	261.032306	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K-2H"	36.948606
"957636"	269.081894	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+HCOOH"	44.998194
"376220"	493.165601	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+HCOOH-H"	44.998201
"352810"	507.181251	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Hac-H"	59.013851
"1503828"	283.097551	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Hac-H"	59.013851
"965903"	291.063851	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+NaCOOH"	66.980151
"113718"	259.053102	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Cl"	69.938804
"551819"	371.094952	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Cl"	69.938804
"1022928"	147.011252	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Cl"	69.938804
"1243843"	303.002585	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Br"	78.918885
"1310667"	305.058572	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+HCOOH"	80.974872
"1334366"	327.040529	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+NaCOOH"	102.956829
"926395"	337.069286	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M-H+CF3COOH"	112.985586
"1303469"	373.045964	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Cl+CF3COOH"	148.962264
"1381876"	189.071024	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H-2H2O"	-35.012676
"1397426"	207.081	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H-H2O"	-17.0027
"287997"	449.174676	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H"	1.007276
"685888"	673.258376	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H"	1.007276
"1360048"	225.090976	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H"	1.007276
"135857"	225.090976	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2H"	2.014552
"571407"	337.132826	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2H"	2.014552
"1046768"	113.049126	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2H"	2.014552
"217221"	150.396409333333	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+3H"	3.021828
"654228"	225.090976	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+3H"	3.021828
"1176365"	75.7018426666667	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3H"	3.021828
"438672"	466.201223	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+NH4"	18.033823
"798811"	690.284923	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+NH4"	18.033823
"1695875"	242.117523	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4"	18.033823
"343784"	233.6042495	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+NH4"	19.041099
"736942"	345.6460995	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+NH4"	19.041099
"1491980"	121.5623995	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+NH4"	19.041099
"406526"	471.156618	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Na"	22.989218
"769103"	695.240318	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Na"	22.989218
"1617566"	247.072918	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na"	22.989218
"329179"	236.081947	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+Na"	23.996494
"721237"	348.123797	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+Na"	23.996494
"1476029"	124.040097	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+Na"	23.996494
"1067699"	83.0291566666667	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2H+Na"	25.00377
"1271685"	257.117186	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+CH3OH+H"	33.033486
"391474"	487.130558	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+K"	38.963158
"753202"	711.214258	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+K"	38.963158
"1552097"	263.046858	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K"	38.963158
"312193"	244.068917	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+H+K"	39.970434
"706073"	356.110767	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+H+K"	39.970434
"1459161"	132.027067	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+K"	39.970434
"248856"	490.201226	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+ACN+H"	42.033826
"1223757"	266.117526	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+H"	42.033826
"1206186"	133.562401	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+2H"	43.041102
"200150"	493.13856	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Na-H"	44.97116
"638982"	717.22226	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Na-H"	44.97116
"1142490"	269.05486	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Na-H"	44.97116
"185416"	247.072918	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2Na"	45.978436
"624610"	359.114768	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2Na"	45.978436
"1127750"	135.031068	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2Na"	45.978436
"1411637"	90.3564706666667	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+2Na"	46.985712
"1442296"	271.096446	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+HCOOH"	47.012746
"232719"	252.10594	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+3H2O+2H"	56.04448
"1520418"	285.14849	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+IsoProp+H"	61.06479
"421927"	255.059888	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+Na+K"	61.952376
"783652"	367.101738	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+Na+K"	61.952376
"1678522"	143.018038	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+K"	61.952376
"263582"	512.183168	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+ACN+Na"	64.015768
"1237384"	288.099468	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+ACN+Na"	64.015768
"1719711"	288.122993	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4+HCOOH"	64.039293
"1189439"	97.6837846666667	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3Na"	68.967654
"1658241"	293.078388	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+HCOOH"	68.994688
"167288"	525.08644	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2K-H"	76.91904
"601382"	749.17014	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2K-H"	76.91904
"1091361"	301.00274	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K-H"	76.91904
"151458"	263.046858	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"2M+2K"	77.926316
"589923"	375.088708	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"3M+2K"	77.926316
"1070427"	151.005008	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K"	77.926316
"1100231"	303.017292	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2K+H"	78.933592
"1336861"	303.104907	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+DMSO+H"	79.021207
"1010374"	307.144076	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2ACN+H"	83.060376
"1528500"	308.137708	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+IsoProp+Na+H"	84.054008
"990450"	154.075676	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+2ACN+2H"	84.067652
"1589452"	309.052328	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K+HCOOH"	84.968628
"1416206"	339.083838	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+H+CF3COOH"	115.000138
"1150870"	174.588951	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+3ACN+2H"	125.094202
"1711115"	356.110385	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+NH4+CF3COOH"	132.026685
"1642634"	361.06578	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+Na+CF3COOH"	136.98208
"1583752"	377.03972	"C14232"	"4-Hydroxychalcone"	"C15H12O2"	"224.0837"	"M+K+CF3COOH"	152.95602
"814853"	212.0837	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M"	0
"978181"	193.06531	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"70433"	140.381857333333	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"507808"	211.076424	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"887797"	69.6872906666667	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"12934"	211.076424	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"455460"	317.118274	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"832128"	105.034574	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"93698"	423.160124	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"533625"	635.243824	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"910208"	211.076424	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"59483"	440.186671	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"496130"	652.270371	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"875025"	228.102971	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"42922"	445.142066	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"479203"	657.225766	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"851537"	233.058366	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1621434"	233.058366	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"95045"	229.064763	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"539345"	335.106613	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"929579"	123.022913	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"271422"	459.136802	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"664206"	671.220502	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1274786"	247.053102	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"22082"	461.116006	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"461643"	673.199706	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"836166"	249.032306	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1566216"	249.032306	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"957748"	257.081894	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"375599"	469.165601	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"358387"	483.181251	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1505032"	271.097551	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"966014"	279.063851	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"117108"	247.053102	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"554483"	353.094952	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1025470"	141.011252	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1243224"	291.002585	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1306036"	293.058572	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1334837"	315.040529	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"926829"	325.069286	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1302238"	361.045964	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1381496"	177.071024	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1398338"	195.081	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"292482"	425.174676	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"685998"	637.258376	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1364533"	213.090976	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"134144"	213.090976	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"570424"	319.132826	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1049796"	107.049126	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"216238"	142.396409333333	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"654339"	213.090976	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1176111"	71.7018426666667	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"439265"	442.201223	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"799651"	654.284923	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1695984"	230.117523	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"342070"	221.6042495	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"737418"	327.6460995	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1492494"	115.5623995	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"407000"	447.156618	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"768847"	659.240318	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1616819"	235.072918	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"327950"	224.081947	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"720735"	330.123797	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1476505"	118.040097	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1066346"	79.0291566666667	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1272632"	245.117186	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"392429"	463.130558	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"753797"	675.214258	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1554760"	251.046858	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"312910"	232.068917	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"705697"	338.110767	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1460487"	126.027067	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"250428"	466.201226	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1224109"	254.117526	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1206661"	127.562401	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"200626"	469.13856	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"639457"	681.22226	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1142964"	257.05486	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"184432"	235.072918	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"625084"	341.114768	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1128587"	129.031068	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1409195"	86.3564706666667	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1443135"	259.096446	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"231736"	240.10594	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1521257"	273.14849	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"422403"	243.059888	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"784127"	349.101738	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1681060"	137.018038	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"263327"	488.183168	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1239317"	276.099468	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1722008"	276.122993	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1190643"	93.6837846666667	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1655071"	281.078388	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"161930"	501.08644	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"600399"	713.17014	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1092566"	289.00274	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"148289"	251.046858	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"586754"	357.088708	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1076737"	145.005008	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1106664"	291.017292	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1339768"	291.104907	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1007568"	295.144076	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1524837"	296.137708	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"995060"	148.075676	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1601472"	297.052328	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1429198"	327.083838	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1157541"	168.588951	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1708187"	344.110385	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1642744"	349.06578	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1583862"	365.03972	"C14233"	"44-Dihydroxystilbene"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"812047"	240.115	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M"	0
"981208"	221.09661	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-H2O-H"	-19.01839
"73824"	159.069390666667	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M-3H"	-3.021828
"507918"	239.107724	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M-3H"	-3.021828
"889000"	79.0310573333333	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-3H"	-3.021828
"6482"	239.107724	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M-2H"	-2.014552
"455405"	359.165224	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M-2H"	-2.014552
"831391"	119.050224	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-2H"	-2.014552
"91385"	479.222724	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M-H"	-1.007276
"531066"	719.337724	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M-H"	-1.007276
"909595"	239.107724	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-H"	-1.007276
"61417"	496.249271	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M-2H+NH4"	16.019271
"499519"	736.364271	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M-2H+NH4"	16.019271
"877322"	256.134271	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-2H+NH4"	16.019271
"39754"	501.204666	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M-2H+Na"	20.974666
"481501"	741.319666	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M-2H+Na"	20.974666
"850068"	261.089666	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-2H+Na"	20.974666
"1623369"	261.089666	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Na-2H"	20.974666
"99897"	257.096063	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M-H+Cl"	33.962126
"539456"	377.153563	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M-H+Cl"	33.962126
"932970"	137.038563	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-H+Cl"	33.962126
"274812"	515.199402	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+Cl"	34.969402
"669420"	755.314402	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+Cl"	34.969402
"1276356"	275.084402	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Cl"	34.969402
"22193"	517.178606	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M-2H+K"	36.948606
"460660"	757.293606	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M-2H+K"	36.948606
"839556"	277.063606	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-2H+K"	36.948606
"1567419"	277.063606	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+K-2H"	36.948606
"952022"	285.113194	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-H+HCOOH"	44.998194
"374621"	525.228201	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+HCOOH-H"	44.998201
"360200"	539.243851	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+Hac-H"	59.013851
"1507576"	299.128851	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Hac-H"	59.013851
"967216"	307.095151	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-H+NaCOOH"	66.980151
"118311"	275.084402	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+2Cl"	69.938804
"556780"	395.141902	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+2Cl"	69.938804
"1028860"	155.026902	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2Cl"	69.938804
"1251719"	319.033885	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Br"	78.918885
"1309792"	321.089872	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Cl+HCOOH"	80.974872
"1327291"	343.071829	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Cl+NaCOOH"	102.956829
"926371"	353.100586	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M-H+CF3COOH"	112.985586
"1298339"	389.077264	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Cl+CF3COOH"	148.962264
"1380879"	205.102324	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H-2H2O"	-35.012676
"1396916"	223.1123	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H-H2O"	-17.0027
"295145"	481.237276	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+H"	1.007276
"685380"	721.352276	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+H"	1.007276
"1361727"	241.122276	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H"	1.007276
"134254"	241.122276	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+2H"	2.014552
"569440"	361.179776	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+2H"	2.014552
"1043708"	121.064776	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2H"	2.014552
"208328"	161.083942666667	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+3H"	3.021828
"651169"	241.122276	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+3H"	3.021828
"1173670"	81.0456093333333	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+3H"	3.021828
"436578"	498.263823	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+NH4"	18.033823
"799032"	738.378823	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+NH4"	18.033823
"1696094"	258.148823	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+NH4"	18.033823
"342911"	249.6355495	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+H+NH4"	19.041099
"737521"	369.6930495	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+H+NH4"	19.041099
"1491707"	129.5780495	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H+NH4"	19.041099
"405283"	503.219218	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+Na"	22.989218
"764092"	743.334218	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+Na"	22.989218
"1617416"	263.104218	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Na"	22.989218
"329153"	252.113247	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+H+Na"	23.996494
"719752"	372.170747	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+H+Na"	23.996494
"1476123"	132.055747	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H+Na"	23.996494
"1067999"	88.3729233333333	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2H+Na"	25.00377
"1272715"	273.148486	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+CH3OH+H"	33.033486
"392733"	519.193158	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+K"	38.963158
"754027"	759.308158	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+K"	38.963158
"1555233"	279.078158	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+K"	38.963158
"313750"	260.100217	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+H+K"	39.970434
"707025"	380.157717	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+H+K"	39.970434
"1461308"	140.042717	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H+K"	39.970434
"251146"	522.263826	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+ACN+H"	42.033826
"1223976"	282.148826	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+ACN+H"	42.033826
"1207133"	141.578051	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+ACN+2H"	43.041102
"200736"	525.20116	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+2Na-H"	44.97116
"642485"	765.31616	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+2Na-H"	44.97116
"1142345"	285.08616	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2Na-H"	44.97116
"186364"	263.104218	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+2Na"	45.978436
"625923"	383.161718	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+2Na"	45.978436
"1129063"	143.046718	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2Na"	45.978436
"1411493"	95.7002373333333	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H+2Na"	46.985712
"1443246"	287.127746	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H+HCOOH"	47.012746
"232944"	268.13724	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+3H2O+2H"	56.04448
"1521369"	301.17979	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+IsoProp+H"	61.06479
"421784"	271.091188	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+Na+K"	61.952376
"784117"	391.148688	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+Na+K"	61.952376
"1680198"	151.033688	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Na+K"	61.952376
"264530"	544.245768	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+ACN+Na"	64.015768
"1239430"	304.130768	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+ACN+Na"	64.015768
"1722119"	304.154293	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+NH4+HCOOH"	64.039293
"1190753"	103.027551333333	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+3Na"	68.967654
"1658460"	309.109688	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Na+HCOOH"	68.994688
"164227"	557.14904	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+2K-H"	76.91904
"602691"	797.26404	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+2K-H"	76.91904
"1087569"	317.03404	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2K-H"	76.91904
"146208"	279.078158	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"2M+2K"	77.926316
"584675"	399.135658	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"3M+2K"	77.926316
"1071377"	159.020658	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2K"	77.926316
"1101423"	319.048592	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2K+H"	78.933592
"1340242"	319.136207	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+DMSO+H"	79.021207
"1012782"	323.175376	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2ACN+H"	83.060376
"1528720"	324.169008	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+IsoProp+Na+H"	84.054008
"995167"	162.091326	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+2ACN+2H"	84.067652
"1594045"	325.083628	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+K+HCOOH"	84.968628
"1420800"	355.115138	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+H+CF3COOH"	115.000138
"1151088"	182.604601	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+3ACN+2H"	125.094202
"1708294"	372.141685	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+NH4+CF3COOH"	132.026685
"1639572"	377.09708	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+Na+CF3COOH"	136.98208
"1583972"	393.07102	"C14234"	"Dimethylstilbestrol;(E)-44-(12-Dimethyl-12-ethenediyl)bisphenol"	"C16H16O2"	"240.115"	"M+K+CF3COOH"	152.95602
"809970"	326.0708	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M"	0
"984598"	307.05241	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-H2O-H"	-19.01839
"70653"	216.373257333333	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M-3H"	-3.021828
"518122"	325.063524	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M-3H"	-3.021828
"895405"	107.682990666667	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-3H"	-3.021828
"13899"	325.063524	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M-2H"	-2.014552
"455567"	488.098924	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M-2H"	-2.014552
"829804"	162.028124	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-2H"	-2.014552
"90890"	651.134324	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M-H"	-1.007276
"529355"	977.205124	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M-H"	-1.007276
"908249"	325.063524	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-H"	-1.007276
"60799"	668.160871	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M-2H+NH4"	16.019271
"501089"	994.231671	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M-2H+NH4"	16.019271
"877069"	342.090071	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-2H+NH4"	16.019271
"43145"	673.116266	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M-2H+Na"	20.974666
"481612"	999.187066	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M-2H+Na"	20.974666
"853945"	347.045466	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-2H+Na"	20.974666
"1624573"	347.045466	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Na-2H"	20.974666
"104381"	343.051863	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M-H+Cl"	33.962126
"545036"	506.087263	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M-H+Cl"	33.962126
"940737"	180.016463	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-H+Cl"	33.962126
"277108"	687.111002	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+Cl"	34.969402
"669530"	1013.181802	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+Cl"	34.969402
"1281934"	361.040202	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Cl"	34.969402
"26678"	689.090206	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M-2H+K"	36.948606
"467333"	1015.161006	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M-2H+K"	36.948606
"847687"	363.019406	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-2H+K"	36.948606
"1570775"	363.019406	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+K-2H"	36.948606
"958394"	371.068994	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-H+HCOOH"	44.998194
"374357"	697.139801	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+HCOOH-H"	44.998201
"359337"	711.155451	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+Hac-H"	59.013851
"1504894"	385.084651	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Hac-H"	59.013851
"970612"	393.050951	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-H+NaCOOH"	66.980151
"122798"	361.040202	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+2Cl"	69.938804
"563092"	524.075602	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+2Cl"	69.938804
"1035534"	198.004802	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2Cl"	69.938804
"1254022"	404.989685	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Br"	78.918885
"1317564"	407.045672	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Cl+HCOOH"	80.974872
"1334328"	429.027629	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Cl+NaCOOH"	102.956829
"925028"	439.056386	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M-H+CF3COOH"	112.985586
"1303439"	475.033064	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Cl+CF3COOH"	148.962264
"1378802"	291.058124	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H-2H2O"	-35.012676
"1396666"	309.0681	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H-H2O"	-17.0027
"295620"	653.148876	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+H"	1.007276
"690962"	979.219676	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+H"	1.007276
"1366340"	327.078076	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H"	1.007276
"139471"	327.078076	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+2H"	2.014552
"580490"	490.113476	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+2H"	2.014552
"1047099"	164.042676	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2H"	2.014552
"216460"	218.387809333333	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+3H"	3.021828
"657113"	327.078076	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+3H"	3.021828
"1173415"	109.697542666667	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+3H"	3.021828
"434866"	670.175423	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+NH4"	18.033823
"801049"	996.246223	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+NH4"	18.033823
"1695840"	344.104623	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+NH4"	18.033823
"345545"	335.5913495	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+H+NH4"	19.041099
"737269"	498.6267495	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+H+NH4"	19.041099
"1491455"	172.5559495	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H+NH4"	19.041099
"406854"	675.130818	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+Na"	22.989218
"764202"	1001.201618	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+Na"	22.989218
"1616311"	349.060018	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Na"	22.989218
"327440"	338.069047	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+H+Na"	23.996494
"716580"	501.104447	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+H+Na"	23.996494
"1476485"	175.033647	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H+Na"	23.996494
"1068441"	117.024856666667	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2H+Na"	25.00377
"1271888"	359.104286	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+CH3OH+H"	33.033486
"392288"	691.104758	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+K"	38.963158
"754134"	1017.175558	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+K"	38.963158
"1550607"	365.033958	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+K"	38.963158
"314228"	346.056017	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+H+K"	39.970434
"706040"	509.091417	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+H+K"	39.970434
"1456218"	183.020617	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H+K"	39.970434
"245913"	694.175426	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+ACN+H"	42.033826
"1222634"	368.104626	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+ACN+H"	42.033826
"1207610"	184.555951	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+ACN+2H"	43.041102
"203034"	697.11276	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+2Na-H"	44.97116
"643321"	1023.18356	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+2Na-H"	44.97116
"1144642"	371.04196	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2Na-H"	44.97116
"185745"	349.060018	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+2Na"	45.978436
"627128"	512.095418	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+2Na"	45.978436
"1129539"	186.024618	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2Na"	45.978436
"1413063"	124.352170666667	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H+2Na"	46.985712
"1445302"	373.083546	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H+HCOOH"	47.012746
"234147"	354.09304	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+3H2O+2H"	56.04448
"1522209"	387.13559	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+IsoProp+H"	61.06479
"423355"	357.046988	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+Na+K"	61.952376
"784715"	520.082388	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+Na+K"	61.952376
"1680680"	194.011588	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Na+K"	61.952376
"266472"	716.157368	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+ACN+Na"	64.015768
"1241240"	390.086568	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+ACN+Na"	64.015768
"1722232"	390.110093	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+NH4+HCOOH"	64.039293
"1188679"	131.679484666667	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+3Na"	68.967654
"1659664"	395.065488	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Na+HCOOH"	68.994688
"159967"	729.06064	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+2K-H"	76.91904
"600614"	1055.13144	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+2K-H"	76.91904
"1087313"	402.98984	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2K-H"	76.91904
"146317"	365.033958	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"2M+2K"	77.926316
"588069"	528.069358	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"3M+2K"	77.926316
"1083807"	201.998558	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2K"	77.926316
"1106885"	405.004392	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2K+H"	78.933592
"1345458"	405.092007	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+DMSO+H"	79.021207
"1008153"	409.131176	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2ACN+H"	83.060376
"1527009"	410.124808	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+IsoProp+Na+H"	84.054008
"995280"	205.069226	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+2ACN+2H"	84.067652
"1599626"	411.039428	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+K+HCOOH"	84.968628
"1428568"	441.070938	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+H+CF3COOH"	115.000138
"1157761"	225.582501	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+3ACN+2H"	125.094202
"1708407"	458.097485	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+NH4+CF3COOH"	132.026685
"1642964"	463.05288	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+Na+CF3COOH"	136.98208
"1584082"	479.02682	"C14235"	"Triphenyl phosphate"	"C18H15O4P"	"326.0708"	"M+K+CF3COOH"	152.95602
"814091"	208.1463	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M"	0
"979241"	189.12791	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-H2O-H"	-19.01839
"68576"	137.756924	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M-3H"	-3.021828
"508139"	207.139024	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M-3H"	-3.021828
"884844"	68.374824	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-3H"	-3.021828
"12170"	207.139024	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M-2H"	-2.014552
"451735"	311.212174	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M-2H"	-2.014552
"831007"	103.065874	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-2H"	-2.014552
"92822"	415.285324	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M-H"	-1.007276
"531288"	623.431624	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M-H"	-1.007276
"909091"	207.139024	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-H"	-1.007276
"61035"	432.311871	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M-2H+NH4"	16.019271
"501688"	640.458171	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M-2H+NH4"	16.019271
"878880"	224.165571	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-2H+NH4"	16.019271
"43256"	437.267266	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M-2H+Na"	20.974666
"482815"	645.413566	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M-2H+Na"	20.974666
"858429"	229.120966	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-2H+Na"	20.974666
"1624683"	229.120966	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Na-2H"	20.974666
"103398"	225.127363	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M-H+Cl"	33.962126
"547332"	329.200513	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M-H+Cl"	33.962126
"940483"	121.054213	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-H+Cl"	33.962126
"275031"	451.262002	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+Cl"	34.969402
"668547"	659.408302	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+Cl"	34.969402
"1282044"	243.115702	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Cl"	34.969402
"26788"	453.241206	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M-2H+K"	36.948606
"468536"	661.387506	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M-2H+K"	36.948606
"848042"	245.094906	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-2H+K"	36.948606
"1570194"	245.094906	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+K-2H"	36.948606
"957836"	253.144494	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-H+HCOOH"	44.998194
"374103"	461.290801	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+HCOOH-H"	44.998201
"359447"	475.306451	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+Hac-H"	59.013851
"1505732"	267.160151	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Hac-H"	59.013851
"968536"	275.126451	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-H+NaCOOH"	66.980151
"120361"	243.115702	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+2Cl"	69.938804
"563931"	347.188852	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+2Cl"	69.938804
"1034186"	139.042552	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2Cl"	69.938804
"1254496"	287.065185	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Br"	78.918885
"1319255"	289.121172	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Cl+HCOOH"	80.974872
"1333709"	311.103129	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Cl+NaCOOH"	102.956829
"926110"	321.131886	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M-H+CF3COOH"	112.985586
"1304124"	357.108564	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Cl+CF3COOH"	148.962264
"1382317"	173.133624	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H-2H2O"	-35.012676
"1397144"	191.1436	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H-H2O"	-17.0027
"298539"	417.299876	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+H"	1.007276
"690464"	625.446176	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+H"	1.007276
"1366085"	209.153576	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H"	1.007276
"140190"	209.153576	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+2H"	2.014552
"579512"	313.226726	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+2H"	2.014552
"1051590"	105.080426	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2H"	2.014552
"215842"	139.771476	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+3H"	3.021828
"658318"	209.153576	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+3H"	3.021828
"1175349"	70.389376	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+3H"	3.021828
"434976"	434.326423	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+NH4"	18.033823
"799617"	642.472723	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+NH4"	18.033823
"1694858"	226.180123	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+NH4"	18.033823
"344959"	217.6668495	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+H+NH4"	19.041099
"737869"	321.7399995	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+H+NH4"	19.041099
"1491322"	113.5936995	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H+NH4"	19.041099
"405503"	439.281818	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+Na"	22.989218
"766499"	647.428118	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+Na"	22.989218
"1615327"	231.135518	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Na"	22.989218
"329133"	220.144547	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+H+Na"	23.996494
"719243"	324.217697	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+H+Na"	23.996494
"1474885"	116.071397	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H+Na"	23.996494
"1065217"	77.71669	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2H+Na"	25.00377
"1271271"	241.179786	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+CH3OH+H"	33.033486
"390574"	455.255758	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+K"	38.963158
"753967"	663.402058	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+K"	38.963158
"1553997"	247.109458	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+K"	38.963158
"313689"	228.131517	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+H+K"	39.970434
"705058"	332.204667	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+H+K"	39.970434
"1457787"	124.058367	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H+K"	39.970434
"246755"	458.326426	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+ACN+H"	42.033826
"1224815"	250.180126	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+ACN+H"	42.033826
"1208090"	125.593701	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+ACN+2H"	43.041102
"202782"	461.26376	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+2Na-H"	44.97116
"642346"	669.41006	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+2Na-H"	44.97116
"1144758"	253.11746	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2Na-H"	44.97116
"188254"	231.135518	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+2Na"	45.978436
"627604"	335.208668	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+2Na"	45.978436
"1130871"	127.062368	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2Na"	45.978436
"1414069"	85.044004	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H+2Na"	46.985712
"1445248"	255.159046	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H+HCOOH"	47.012746
"235552"	236.16854	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+3H2O+2H"	56.04448
"1522681"	269.21109	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+IsoProp+H"	61.06479
"423464"	239.122488	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+Na+K"	61.952376
"784461"	343.195638	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+Na+K"	61.952376
"1680059"	135.049338	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Na+K"	61.952376
"266216"	480.308368	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+ACN+Na"	64.015768
"1241230"	272.162068	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+ACN+Na"	64.015768
"1727445"	272.185593	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+NH4+HCOOH"	64.039293
"1194016"	92.371318	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+3Na"	68.967654
"1665241"	277.140988	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Na+HCOOH"	68.994688
"162265"	493.21164	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+2K-H"	76.91904
"601455"	701.35794	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+2K-H"	76.91904
"1089613"	285.06534	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2K-H"	76.91904
"148620"	247.109458	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"2M+2K"	77.926316
"585993"	351.182608	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"3M+2K"	77.926316
"1083267"	143.036308	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2K"	77.926316
"1112464"	287.079892	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2K+H"	78.933592
"1345568"	287.167507	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+DMSO+H"	79.021207
"1007291"	291.206676	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2ACN+H"	83.060376
"1526754"	292.200308	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+IsoProp+Na+H"	84.054008
"995390"	146.106976	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+2ACN+2H"	84.067652
"1599736"	293.114928	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+K+HCOOH"	84.968628
"1426491"	323.146438	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+H+CF3COOH"	115.000138
"1157871"	166.620251	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+3ACN+2H"	125.094202
"1708517"	340.172985	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+NH4+CF3COOH"	132.026685
"1640887"	345.12838	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+Na+CF3COOH"	136.98208
"1577631"	361.10232	"C14236"	"4-Heptyloxyphenol;p-n-Heptyloxyphenol"	"C13H20O2"	"208.1463"	"M+K+CF3COOH"	152.95602
"815659"	294.0214	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M"	0
"979351"	275.00301	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-H2O-H"	-19.01839
"70872"	195.006990666667	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M-3H"	-3.021828
"507154"	293.014124	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M-3H"	-3.021828
"893342"	96.9998573333333	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-3H"	-3.021828
"13743"	293.014124	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M-2H"	-2.014552
"454027"	440.024824	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M-2H"	-2.014552
"829648"	146.003424	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-2H"	-2.014552
"93656"	587.035524	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M-H"	-1.007276
"532239"	881.056924	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M-H"	-1.007276
"909797"	293.014124	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-H"	-1.007276
"61380"	604.062071	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M-2H+NH4"	16.019271
"500826"	898.083471	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M-2H+NH4"	16.019271
"877657"	310.040671	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-2H+NH4"	16.019271
"45554"	609.017466	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M-2H+Na"	20.974666
"481831"	903.038866	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M-2H+Na"	20.974666
"859634"	314.996066	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-2H+Na"	20.974666
"1624793"	314.996066	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Na-2H"	20.974666
"107518"	311.002463	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M-H+Cl"	33.962126
"547809"	458.013163	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M-H+Cl"	33.962126
"940593"	163.991763	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-H+Cl"	33.962126
"271860"	623.012202	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+Cl"	34.969402
"671938"	917.033602	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+Cl"	34.969402
"1278875"	328.990802	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Cl"	34.969402
"29452"	624.991406	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M-2H+K"	36.948606
"469014"	919.012806	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M-2H+K"	36.948606
"843533"	330.970006	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-2H+K"	36.948606
"1568845"	330.970006	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+K-2H"	36.948606
"956365"	339.019594	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-H+HCOOH"	44.998194
"376037"	633.041001	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+HCOOH-H"	44.998201
"359922"	647.056651	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+Hac-H"	59.013851
"1501101"	353.035251	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Hac-H"	59.013851
"967549"	361.001551	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-H+NaCOOH"	66.980151
"119738"	328.990802	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+2Cl"	69.938804
"554923"	476.001502	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+2Cl"	69.938804
"1033934"	181.980102	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2Cl"	69.938804
"1254241"	372.940285	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Br"	78.918885
"1312312"	374.996272	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Cl+HCOOH"	80.974872
"1332725"	396.978229	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Cl+NaCOOH"	102.956829
"926341"	407.006986	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M-H+CF3COOH"	112.985586
"1302926"	442.983664	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Cl+CF3COOH"	148.962264
"1378657"	259.008724	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H-2H2O"	-35.012676
"1397127"	277.0187	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H-H2O"	-17.0027
"297300"	589.050076	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+H"	1.007276
"690819"	883.071476	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+H"	1.007276
"1366806"	295.028676	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H"	1.007276
"137502"	295.028676	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+2H"	2.014552
"580352"	442.039376	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+2H"	2.014552
"1051334"	148.017976	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2H"	2.014552
"215951"	197.021542666667	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+3H"	3.021828
"657698"	295.028676	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+3H"	3.021828
"1173272"	99.0144093333333	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+3H"	3.021828
"435814"	606.076623	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+NH4"	18.033823
"794987"	900.098023	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+NH4"	18.033823
"1695694"	312.055223	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+NH4"	18.033823
"344949"	303.5419495	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+H+NH4"	19.041099
"735300"	450.5526495	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+H+NH4"	19.041099
"1491677"	156.5312495	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H+NH4"	19.041099
"405614"	611.032018	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+Na"	22.989218
"764423"	905.053418	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+Na"	22.989218
"1614709"	317.010618	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Na"	22.989218
"329243"	306.019647	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+H+Na"	23.996494
"720082"	453.030347	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+H+Na"	23.996494
"1474995"	159.008947	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H+Na"	23.996494
"1067152"	106.341723333333	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2H+Na"	25.00377
"1267731"	327.054886	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+CH3OH+H"	33.033486
"391048"	627.005958	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+K"	38.963158
"753753"	921.027358	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+K"	38.963158
"1553749"	332.984558	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+K"	38.963158
"313473"	314.006617	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+H+K"	39.970434
"706588"	461.017317	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+H+K"	39.970434
"1459726"	166.995917	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H+K"	39.970434
"249786"	630.076626	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+ACN+H"	42.033826
"1225601"	336.055226	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+ACN+H"	42.033826
"1208689"	168.531251	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+ACN+2H"	43.041102
"204200"	633.01396	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+2Na-H"	44.97116
"644217"	927.03536	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+2Na-H"	44.97116
"1146369"	338.99256	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2Na-H"	44.97116
"188201"	317.010618	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+2Na"	45.978436
"628126"	464.021318	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+2Na"	45.978436
"1131273"	169.999918	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2Na"	45.978436
"1413694"	113.669037333333	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H+2Na"	46.985712
"1445364"	341.034146	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H+HCOOH"	47.012746
"234735"	322.04364	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+3H2O+2H"	56.04448
"1523163"	355.08619	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+IsoProp+H"	61.06479
"423826"	324.997588	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+Na+K"	61.952376
"784937"	472.008288	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+Na+K"	61.952376
"1680537"	177.986888	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Na+K"	61.952376
"265965"	652.058568	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+ACN+Na"	64.015768
"1241093"	358.037168	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+ACN+Na"	64.015768
"1727438"	358.060693	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+NH4+HCOOH"	64.039293
"1193156"	120.996351333333	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+3Na"	68.967654
"1665233"	363.016088	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Na+HCOOH"	68.994688
"165655"	664.96184	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+2K-H"	76.91904
"604116"	958.98324	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+2K-H"	76.91904
"1089359"	370.94044	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2K-H"	76.91904
"148730"	332.984558	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"2M+2K"	77.926316
"586103"	479.995258	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"3M+2K"	77.926316
"1081553"	185.973858	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2K"	77.926316
"1112574"	372.954992	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2K+H"	78.933592
"1342398"	373.042607	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+DMSO+H"	79.021207
"1006551"	377.081776	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2ACN+H"	83.060376
"1527593"	378.075408	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+IsoProp+Na+H"	84.054008
"995500"	189.044526	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+2ACN+2H"	84.067652
"1599846"	378.990028	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+K+HCOOH"	84.968628
"1427695"	409.021538	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+H+CF3COOH"	115.000138
"1154701"	209.557801	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+3ACN+2H"	125.094202
"1708627"	426.048085	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+NH4+CF3COOH"	132.026685
"1638810"	431.00348	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+Na+CF3COOH"	136.98208
"1577741"	446.97742	"C14237"	"4-22-Dichloro-1-(4-methoxyphenyl)ethenylphenol;Monohydroxymethoxychlor olefin"	"C15H12Cl2O2"	"294.0214"	"M+K+CF3COOH"	152.95602
"816013"	280.0058	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M"	0
"980554"	260.98741	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-H2O-H"	-19.01839
"74262"	185.663257333333	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M-3H"	-3.021828
"506171"	278.998524	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M-3H"	-3.021828
"891630"	92.3279906666667	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-3H"	-3.021828
"14580"	278.998524	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M-2H"	-2.014552
"453044"	419.001424	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M-2H"	-2.014552
"830849"	138.995624	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-2H"	-2.014552
"91941"	559.004324	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M-H"	-1.007276
"532956"	839.010124	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M-H"	-1.007276
"909542"	278.998524	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-H"	-1.007276
"60275"	576.030871	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M-2H+NH4"	16.019271
"500204"	856.036671	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M-2H+NH4"	16.019271
"877391"	296.025071	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-2H+NH4"	16.019271
"43479"	580.986266	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M-2H+Na"	20.974666
"483764"	860.992066	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M-2H+Na"	20.974666
"856463"	300.980466	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-2H+Na"	20.974666
"1624903"	300.980466	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Na-2H"	20.974666
"102525"	296.986863	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M-H+Cl"	33.962126
"544270"	436.989763	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M-H+Cl"	33.962126
"936691"	156.983963	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-H+Cl"	33.962126
"278532"	594.981002	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+Cl"	34.969402
"668768"	874.986802	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+Cl"	34.969402
"1278983"	314.975202	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Cl"	34.969402
"25915"	596.960206	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M-2H+K"	36.948606
"463288"	876.966006	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M-2H+K"	36.948606
"843277"	316.954406	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-2H+K"	36.948606
"1563485"	316.954406	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+K-2H"	36.948606
"954287"	325.003994	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-H+HCOOH"	44.998194
"374690"	605.009801	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+HCOOH-H"	44.998201
"357479"	619.025451	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+Hac-H"	59.013851
"1502301"	339.019651	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Hac-H"	59.013851
"967656"	346.985951	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-H+NaCOOH"	66.980151
"115837"	314.975202	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+2Cl"	69.938804
"559406"	454.978102	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+2Cl"	69.938804
"1031490"	174.972302	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2Cl"	69.938804
"1246327"	358.924685	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Br"	78.918885
"1308777"	360.980672	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Cl+HCOOH"	80.974872
"1329191"	382.962629	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Cl+NaCOOH"	102.956829
"926693"	392.991386	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M-H+CF3COOH"	112.985586
"1303525"	428.968064	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Cl+CF3COOH"	148.962264
"1375851"	244.993124	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H-2H2O"	-35.012676
"1391889"	263.0031	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H-H2O"	-17.0027
"297898"	561.018876	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+H"	1.007276
"690926"	841.024676	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+H"	1.007276
"1366672"	281.013076	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H"	1.007276
"137612"	281.013076	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+2H"	2.014552
"579727"	421.015976	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+2H"	2.014552
"1050348"	141.010176	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2H"	2.014552
"217153"	187.677809333333	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+3H"	3.021828
"658173"	281.013076	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+3H"	3.021828
"1174109"	94.3425426666667	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+3H"	3.021828
"434101"	578.045423	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+NH4"	18.033823
"797284"	858.051223	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+NH4"	18.033823
"1695077"	298.039623	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+NH4"	18.033823
"344085"	289.5263495	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+H+NH4"	19.041099
"736872"	429.5292495	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+H+NH4"	19.041099
"1489236"	149.5234495	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H+NH4"	19.041099
"404637"	583.000818	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+Na"	22.989218
"769401"	863.006618	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+Na"	22.989218
"1616890"	302.995018	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Na"	22.989218
"325952"	292.004047	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+H+Na"	23.996494
"718375"	432.006947	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+H+Na"	23.996494
"1475351"	152.001147	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H+Na"	23.996494
"1065438"	101.669856666667	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2H+Na"	25.00377
"1272349"	313.039286	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+CH3OH+H"	33.033486
"390065"	598.974758	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+K"	38.963158
"753495"	878.980558	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+K"	38.963158
"1553614"	318.968958	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+K"	38.963158
"311764"	299.991017	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+H+K"	39.970434
"705276"	439.993917	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+H+K"	39.970434
"1459468"	159.988117	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H+K"	39.970434
"250501"	602.045426	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+ACN+H"	42.033826
"1223335"	322.039626	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+ACN+H"	42.033826
"1207826"	161.523451	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+ACN+2H"	43.041102
"202519"	604.98276	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+2Na-H"	44.97116
"643904"	884.98856	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+2Na-H"	44.97116
"1145587"	324.97696	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2Na-H"	44.97116
"186446"	302.995018	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+2Na"	45.978436
"627830"	442.997918	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+2Na"	45.978436
"1131135"	162.992118	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2Na"	45.978436
"1413522"	108.997170666667	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H+2Na"	46.985712
"1445148"	327.018546	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H+HCOOH"	47.012746
"235207"	308.02804	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+3H2O+2H"	56.04448
"1523722"	341.07059	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+IsoProp+H"	61.06479
"423327"	310.981988	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+Na+K"	61.952376
"785287"	450.984888	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+Na+K"	61.952376
"1679552"	170.979088	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Na+K"	61.952376
"266072"	624.027368	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+ACN+Na"	64.015768
"1240932"	344.021568	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+ACN+Na"	64.015768
"1727061"	344.045093	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+NH4+HCOOH"	64.039293
"1192292"	116.324484666667	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+3Na"	68.967654
"1664616"	349.000488	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Na+HCOOH"	68.994688
"169045"	636.93064	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+2K-H"	76.91904
"603862"	916.93644	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+2K-H"	76.91904
"1089834"	356.92484	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2K-H"	76.91904
"148840"	318.968958	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"2M+2K"	77.926316
"586213"	458.971858	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"3M+2K"	77.926316
"1083935"	178.966058	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2K"	77.926316
"1112684"	358.939392	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2K+H"	78.933592
"1345788"	359.027007	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+DMSO+H"	79.021207
"1007390"	363.066176	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2ACN+H"	83.060376
"1528432"	364.059808	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+IsoProp+Na+H"	84.054008
"1002171"	182.036726	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+2ACN+2H"	84.067652
"1599956"	364.974428	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+K+HCOOH"	84.968628
"1428537"	395.005938	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+H+CF3COOH"	115.000138
"1162348"	202.550001	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+3ACN+2H"	125.094202
"1710925"	412.032485	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+NH4+CF3COOH"	132.026685
"1646575"	416.98788	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+Na+CF3COOH"	136.98208
"1584412"	432.96182	"C14238"	"11-Dichloro-22-bis(4-hydroxyphenyl)ethylene;Dihydroxymethoxychlor olefin;44-(Dichloroethenylidene)bisphenol"	"C14H10Cl2O2"	"280.0058"	"M+K+CF3COOH"	152.95602
"813690"	256.1827	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M"	0
"978477"	237.16431	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-H2O-H"	-19.01839
"74372"	169.781190666667	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M-3H"	-3.021828
"505188"	255.175424	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M-3H"	-3.021828
"890646"	84.3869573333333	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-3H"	-3.021828
"14689"	255.175424	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M-2H"	-2.014552
"453154"	383.266774	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M-2H"	-2.014552
"832053"	127.084074	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-2H"	-2.014552
"91683"	511.358124	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M-H"	-1.007276
"533549"	767.540824	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M-H"	-1.007276
"911109"	255.175424	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-H"	-1.007276
"61841"	528.384671	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M-2H+NH4"	16.019271
"501165"	784.567371	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M-2H+NH4"	16.019271
"878594"	272.201971	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-2H+NH4"	16.019271
"45287"	533.340066	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M-2H+Na"	20.974666
"485330"	789.522766	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M-2H+Na"	20.974666
"859853"	277.157366	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-2H+Na"	20.974666
"1625013"	277.157366	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Na-2H"	20.974666
"103728"	273.163763	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M-H+Cl"	33.962126
"543287"	401.255113	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M-H+Cl"	33.962126
"936801"	145.072413	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-H+Cl"	33.962126
"278641"	547.334802	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+Cl"	34.969402
"669972"	803.517502	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+Cl"	34.969402
"1279093"	291.152102	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Cl"	34.969402
"26025"	549.314006	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M-2H+K"	36.948606
"465585"	805.496706	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M-2H+K"	36.948606
"843387"	293.131306	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-2H+K"	36.948606
"1564688"	293.131306	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+K-2H"	36.948606
"955490"	301.180894	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-H+HCOOH"	44.998194
"372613"	557.363601	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+HCOOH-H"	44.998201
"357589"	571.379251	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+Hac-H"	59.013851
"1501317"	315.196551	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Hac-H"	59.013851
"967764"	323.162851	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-H+NaCOOH"	66.980151
"117038"	291.152102	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+2Cl"	69.938804
"558423"	419.243452	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+2Cl"	69.938804
"1030139"	163.060752	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2Cl"	69.938804
"1245344"	335.101585	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Br"	78.918885
"1308523"	337.157572	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Cl+HCOOH"	80.974872
"1326749"	359.139529	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Cl+NaCOOH"	102.956829
"925951"	369.168286	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M-H+CF3COOH"	112.985586
"1302907"	405.144964	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Cl+CF3COOH"	148.962264
"1380700"	221.170024	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H-2H2O"	-35.012676
"1394915"	239.18	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H-H2O"	-17.0027
"297767"	513.372676	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+H"	1.007276
"689212"	769.555376	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+H"	1.007276
"1366863"	257.189976	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H"	1.007276
"137357"	257.189976	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+2H"	2.014552
"575094"	385.281326	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+2H"	2.014552
"1050455"	129.098626	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2H"	2.014552
"208878"	171.795742666667	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+3H"	3.021828
"645882"	257.189976	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+3H"	3.021828
"1166562"	86.4015093333334	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+3H"	3.021828
"434210"	530.399223	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+NH4"	18.033823
"797029"	786.581923	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+NH4"	18.033823
"1694456"	274.216523	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+NH4"	18.033823
"344193"	265.7032495	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+H+NH4"	19.041099
"737952"	393.7945995	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+H+NH4"	19.041099
"1492689"	137.6118995	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H+NH4"	19.041099
"407290"	535.354618	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+Na"	22.989218
"767930"	791.537318	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+Na"	22.989218
"1616028"	279.171918	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Na"	22.989218
"328247"	268.180947	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+H+Na"	23.996494
"719576"	396.272297	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+H+Na"	23.996494
"1474489"	140.089597	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H+Na"	23.996494
"1067737"	93.7288233333333	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2H+Na"	25.00377
"1271965"	289.216186	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+CH3OH+H"	33.033486
"390175"	551.328558	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+K"	38.963158
"752631"	807.511258	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+K"	38.963158
"1554329"	295.145858	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+K"	38.963158
"310414"	276.167917	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+H+K"	39.970434
"703928"	404.259267	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+H+K"	39.970434
"1460303"	148.076567	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H+K"	39.970434
"250369"	554.399226	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+ACN+H"	42.033826
"1224538"	298.216526	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+ACN+H"	42.033826
"1208907"	149.611901	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+ACN+2H"	43.041102
"203724"	557.33656	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+2Na-H"	44.97116
"643892"	813.51926	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+2Na-H"	44.97116
"1146808"	301.15386	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2Na-H"	44.97116
"188019"	279.171918	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+2Na"	45.978436
"627942"	407.263268	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+2Na"	45.978436
"1130962"	151.080568	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2Na"	45.978436
"1413958"	101.056137333333	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H+2Na"	46.985712
"1445267"	303.195446	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H+HCOOH"	47.012746
"233128"	284.20494	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+3H2O+2H"	56.04448
"1524003"	317.24749	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+IsoProp+H"	61.06479
"423837"	287.158888	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+Na+K"	61.952376
"785318"	415.250238	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+Na+K"	61.952376
"1680634"	159.067538	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Na+K"	61.952376
"266752"	576.381168	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+ACN+Na"	64.015768
"1240996"	320.198468	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+ACN+Na"	64.015768
"1728146"	320.221993	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+NH4+HCOOH"	64.039293
"1193133"	108.383451333333	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+3Na"	68.967654
"1663749"	325.177388	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Na+HCOOH"	68.994688
"169155"	589.28444	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+2K-H"	76.91904
"603248"	845.46714	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+2K-H"	76.91904
"1089944"	333.10174	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2K-H"	76.91904
"152230"	295.145858	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"2M+2K"	77.926316
"586323"	423.237208	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"3M+2K"	77.926316
"1082991"	167.054508	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2K"	77.926316
"1112794"	335.116292	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2K+H"	78.933592
"1345898"	335.203907	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+DMSO+H"	79.021207
"1007865"	339.243076	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2ACN+H"	83.060376
"1528178"	340.236708	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+IsoProp+Na+H"	84.054008
"999001"	170.125176	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+2ACN+2H"	84.067652
"1600066"	341.151328	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+K+HCOOH"	84.968628
"1429375"	371.182838	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+H+CF3COOH"	115.000138
"1162701"	190.638451	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+3ACN+2H"	125.094202
"1711035"	388.209385	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+NH4+CF3COOH"	132.026685
"1646685"	393.16478	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+Na+CF3COOH"	136.98208
"1584522"	409.13872	"C14239"	"3-Deoxyestradiol;3-Deoxy-17beta-estradiol"	"C18H24O"	"256.1827"	"M+K+CF3COOH"	152.95602
"815623"	370.3083	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M"	0
"987334"	351.28991	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-H2O-H"	-19.01839
"74482"	245.864924	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M-3H"	-3.021828
"511859"	369.301024	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M-3H"	-3.021828
"889663"	122.428824	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-3H"	-3.021828
"8236"	369.301024	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M-2H"	-2.014552
"451077"	554.455174	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M-2H"	-2.014552
"831797"	184.146874	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-2H"	-2.014552
"93126"	739.609324	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M-H"	-1.007276
"530619"	1109.917624	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M-H"	-1.007276
"910609"	369.301024	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-H"	-1.007276
"61704"	756.635871	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M-2H+NH4"	16.019271
"500906"	1126.944171	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M-2H+NH4"	16.019271
"879839"	386.327571	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-2H+NH4"	16.019271
"44421"	761.591266	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M-2H+Na"	20.974666
"485804"	1131.899566	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M-2H+Na"	20.974666
"862151"	391.282966	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-2H+Na"	20.974666
"1628403"	391.282966	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Na-2H"	20.974666
"106025"	387.289363	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M-H+Cl"	33.962126
"546677"	572.443513	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M-H+Cl"	33.962126
"939827"	202.135213	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-H+Cl"	33.962126
"278751"	775.586002	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+Cl"	34.969402
"671176"	1145.894302	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+Cl"	34.969402
"1283579"	405.277702	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Cl"	34.969402
"27959"	777.565206	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M-2H+K"	36.948606
"466790"	1147.873506	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M-2H+K"	36.948606
"844595"	407.256906	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-2H+K"	36.948606
"1568081"	407.256906	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+K-2H"	36.948606
"951591"	415.306494	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-H+HCOOH"	44.998194
"371994"	785.614801	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+HCOOH-H"	44.998201
"358064"	799.630451	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+Hac-H"	59.013851
"1503616"	429.322151	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Hac-H"	59.013851
"967877"	437.288451	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-H+NaCOOH"	66.980151
"120065"	405.277702	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+2Cl"	69.938804
"556351"	590.431852	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+2Cl"	69.938804
"1030617"	220.123552	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2Cl"	69.938804
"1244724"	449.227185	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Br"	78.918885
"1314831"	451.283172	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Cl+HCOOH"	80.974872
"1326859"	473.265129	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Cl+NaCOOH"	102.956829
"924486"	483.293886	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M-H+CF3COOH"	112.985586
"1302166"	519.270564	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Cl+CF3COOH"	148.962264
"1378259"	335.295624	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H-2H2O"	-35.012676
"1394661"	353.3056	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H-H2O"	-17.0027
"297511"	741.623876	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+H"	1.007276
"690782"	1111.932176	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+H"	1.007276
"1366401"	371.315576	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H"	1.007276
"140750"	371.315576	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+2H"	2.014552
"578121"	556.469726	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+2H"	2.014552
"1049836"	186.161426	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2H"	2.014552
"215549"	247.879476	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+3H"	3.021828
"649641"	371.315576	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+3H"	3.021828
"1166672"	124.443376	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+3H"	3.021828
"434322"	758.650423	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+NH4"	18.033823
"797504"	1128.958723	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+NH4"	18.033823
"1694930"	388.342123	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+NH4"	18.033823
"345159"	379.8288495	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+H+NH4"	19.041099
"737820"	564.9829995	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+H+NH4"	19.041099
"1488357"	194.6746995	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H+NH4"	19.041099
"404849"	763.605818	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+Na"	22.989218
"768040"	1133.914118	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+Na"	22.989218
"1616138"	393.297518	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Na"	22.989218
"327266"	382.306547	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+H+Na"	23.996494
"719686"	567.460697	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+H+Na"	23.996494
"1476059"	197.152397	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H+Na"	23.996494
"1067845"	131.77069	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2H+Na"	25.00377
"1269522"	403.341786	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+CH3OH+H"	33.033486
"388098"	779.579758	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+K"	38.963158
"752741"	1149.888058	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+K"	38.963158
"1554807"	409.271458	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+K"	38.963158
"313765"	390.293517	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+H+K"	39.970434
"705861"	575.447667	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+H+K"	39.970434
"1460655"	205.139367	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H+K"	39.970434
"250360"	782.650426	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+ACN+H"	42.033826
"1224402"	412.342126	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+ACN+H"	42.033826
"1209300"	206.674701	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+ACN+2H"	43.041102
"202489"	785.58776	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+2Na-H"	44.97116
"644123"	1155.89606	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+2Na-H"	44.97116
"1146892"	415.27946	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2Na-H"	44.97116
"188214"	393.297518	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+2Na"	45.978436
"628014"	578.451668	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+2Na"	45.978436
"1130954"	208.143368	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2Na"	45.978436
"1413990"	139.098004	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H+2Na"	46.985712
"1445004"	417.321046	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H+HCOOH"	47.012746
"234332"	398.33054	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+3H2O+2H"	56.04448
"1524119"	431.37309	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+IsoProp+H"	61.06479
"424137"	401.284488	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+Na+K"	61.952376
"785578"	586.438638	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+Na+K"	61.952376
"1681222"	216.130338	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Na+K"	61.952376
"266740"	804.632368	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+ACN+Na"	64.015768
"1240704"	434.324068	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+ACN+Na"	64.015768
"1728218"	434.347593	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+NH4+HCOOH"	64.039293
"1193487"	146.425318	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+3Na"	68.967654
"1665484"	439.302988	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Na+HCOOH"	68.994688
"171453"	817.53564	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+2K-H"	76.91904
"611987"	1187.84394	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+2K-H"	76.91904
"1096618"	447.22734	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2K-H"	76.91904
"156356"	409.271458	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"2M+2K"	77.926316
"596153"	594.425608	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"3M+2K"	77.926316
"1084190"	224.117308	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2K"	77.926316
"1111811"	449.241892	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2K+H"	78.933592
"1346008"	449.329507	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+DMSO+H"	79.021207
"1009068"	453.368676	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2ACN+H"	83.060376
"1535943"	454.362308	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+IsoProp+Na+H"	84.054008
"999111"	227.187976	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+2ACN+2H"	84.067652
"1600176"	455.276928	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+K+HCOOH"	84.968628
"1429243"	485.308438	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+H+CF3COOH"	115.000138
"1162326"	247.701251	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+3ACN+2H"	125.094202
"1711754"	502.334985	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+NH4+CF3COOH"	132.026685
"1646795"	507.29038	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+Na+CF3COOH"	136.98208
"1584632"	523.26432	"C14240"	"Di(2-ethylhexyl) adipate;Dioctyl adipate;Diethylhexyl adipate"	"C22H42O4"	"370.3083"	"M+K+CF3COOH"	152.95602
"815004"	240.0786	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M"	0
"980884"	221.06021	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"66938"	159.045124	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"509782"	239.071324	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"884301"	79.018924	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"3969"	239.071324	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"447905"	359.110624	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"829719"	119.032024	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"93683"	479.149924	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"532193"	719.228524	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"907438"	239.071324	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"59626"	496.176471	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"500648"	736.255071	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"874802"	256.097871	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"44165"	501.131866	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"484091"	741.210466	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"861531"	261.053266	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1627420"	261.053266	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"105041"	257.059663	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"541320"	377.098963	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"938115"	137.020363	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"278861"	515.126602	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"672015"	755.205202	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1282595"	275.048002	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"28069"	517.105806	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"466900"	757.184406	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"845797"	277.027206	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1569283"	277.027206	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"948420"	285.076794	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"369917"	525.155401	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"351246"	539.171051	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1500445"	299.092451	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"962518"	307.058751	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"119081"	275.048002	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"559739"	395.087302	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1027446"	155.008702	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1250303"	318.997485	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1311661"	321.053472	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1328062"	343.035429	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"925689"	353.064186	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1301666"	389.040864	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1379462"	205.065924	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1395865"	223.0759	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"296284"	481.164476	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"688705"	721.243076	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1366026"	241.085876	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"140496"	241.085876	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"577138"	361.125176	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1048489"	121.046576	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"212378"	161.059676	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"649751"	241.085876	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1166782"	81.033476	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"435525"	498.191023	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"798344"	738.269623	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1692487"	258.112423	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"342959"	249.5991495	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"735744"	369.6384495	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1491019"	129.5598495	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"405324"	503.146418	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"767778"	743.225018	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1616248"	263.067818	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"327740"	252.076847	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"720162"	372.116147	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1475075"	132.037547	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1066862"	88.36079	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1268175"	273.112086	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"388209"	519.120358	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"752851"	759.198958	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1554553"	279.041758	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"314156"	260.063817	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"706624"	380.103117	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1460886"	140.024517	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"250836"	522.191026	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1224877"	282.112426	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1209653"	141.559851	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"202599"	525.12836	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"643946"	765.20696	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1147019"	285.04976	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"188460"	263.067818	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"628249"	383.107118	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1131308"	143.028518	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1413818"	95.688104	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1445363"	287.091346	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"235586"	268.10084	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1524010"	301.14339	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"424101"	271.054788	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"785458"	391.094088	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1679759"	151.015488	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"267015"	544.172968	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1237284"	304.094368	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1728383"	304.117893	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1194002"	103.015418	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1661417"	309.073288	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"170470"	557.07624	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"612218"	797.15484	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1099523"	316.99764	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"156588"	279.041758	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"596263"	399.081058	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1083575"	159.002458	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1111921"	319.012192	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1342838"	319.099807	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1009178"	323.138976	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1530586"	324.132608	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"995941"	162.073126	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1594819"	325.047228	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1429111"	355.078738	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1162637"	182.586401	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1712107"	372.105285	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1646905"	377.06068	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1584742"	393.03462	"C14241"	"4-Hydroxyflavanone;23-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"814021"	316.2038	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M"	0
"980994"	297.18541	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"67048"	209.795257333333	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"508799"	315.196524	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"883318"	104.393990666667	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"4079"	315.196524	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"445829"	473.298424	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"828006"	157.094624	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"88000"	631.400324	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"527563"	947.604124	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"903173"	315.196524	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"49894"	648.426871	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"496021"	964.630671	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"871632"	332.223071	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"40626"	653.382266	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"479091"	969.586066	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"859088"	337.178466	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1627530"	337.178466	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"104787"	333.184863	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"541430"	491.286763	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"936038"	175.082963	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"277878"	667.377002	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"668116"	983.580802	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1279426"	351.173202	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"24171"	669.356206	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"464824"	985.560006	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"840442"	353.152406	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1563928"	353.152406	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"955094"	361.201994	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"366746"	677.405801	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"350628"	691.421451	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1498368"	375.217651	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"967002"	383.183951	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"117004"	351.173202	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"560578"	509.275102	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1027556"	193.071302	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1250413"	395.122685	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1311771"	397.178672	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1327079"	419.160629	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"925070"	429.189386	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1302139"	465.166064	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1378477"	281.191124	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1395975"	299.2011	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"297852"	633.414876	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"689543"	949.618676	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1365650"	317.211076	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"138052"	317.211076	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"572508"	475.312976	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1038267"	159.109176	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"207020"	211.809809333333	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"645606"	317.211076	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1164703"	106.408542666667	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"435270"	650.441423	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"796264"	966.645223	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1691501"	334.237623	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"343795"	325.7243495	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"735852"	483.8262495	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1490887"	167.6224495	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"405798"	655.396818	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"766065"	971.600618	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1614172"	339.193018	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"326636"	328.202047	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"719177"	486.303947	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1472998"	170.100147	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1065759"	113.735856666667	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1268285"	349.237286	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"389047"	671.370758	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"752597"	987.574558	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1553203"	355.166958	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"313298"	336.189017	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"706812"	494.290917	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1460632"	178.087117	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"251314"	674.441426	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1224986"	358.237626	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1208744"	179.622451	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"201250"	677.37876	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"643364"	993.58256	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1146965"	361.17496	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"188219"	339.193018	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"628324"	497.294918	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1130925"	181.091118	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1413596"	121.063170666667	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1444250"	363.216546	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"235409"	344.22604	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1523877"	377.26859	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"423888"	347.179988	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"785364"	505.281888	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1680112"	189.078088	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"264689"	696.423368	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1238852"	380.219568	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1727988"	380.243093	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1193462"	128.390484666667	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1663837"	385.198488	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"169485"	709.32664	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"610142"	1025.53044	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1099029"	393.12284	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"155843"	355.166958	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"596009"	513.268858	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1082106"	197.065058	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1112031"	395.137392	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1342948"	395.225007	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1009288"	399.264176	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1529603"	400.257808	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"993135"	200.135726	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1593836"	401.172428	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1428974"	431.203938	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1161938"	220.649001	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1709178"	448.230485	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1647015"	453.18588	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1584852"	469.15982	"C14242"	"Mytatrienediol;17-alpha-Methylestriol 3-methyl ether;16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"814131"	302.1518	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M"	0
"984384"	283.13341	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-H2O-H"	-19.01839
"69345"	200.427257333333	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M-3H"	-3.021828
"508909"	301.144524	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M-3H"	-3.021828
"883428"	99.7099906666667	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-3H"	-3.021828
"3096"	301.144524	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M-2H"	-2.014552
"445939"	452.220424	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M-2H"	-2.014552
"829209"	150.068624	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-2H"	-2.014552
"89203"	603.296324	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M-H"	-1.007276
"527669"	905.448124	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M-H"	-1.007276
"900002"	301.144524	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-H"	-1.007276
"51097"	620.322871	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M-2H+NH4"	16.019271
"497224"	922.474671	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M-2H+NH4"	16.019271
"872835"	318.171071	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-2H+NH4"	16.019271
"40736"	625.278266	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M-2H+Na"	20.974666
"480294"	927.430066	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M-2H+Na"	20.974666
"860291"	323.126466	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-2H+Na"	20.974666
"1631285"	323.126466	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Na-2H"	20.974666
"106722"	319.132863	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M-H+Cl"	33.962126
"547737"	470.208763	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M-H+Cl"	33.962126
"941250"	168.056963	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-H+Cl"	33.962126
"277988"	639.273002	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+Cl"	34.969402
"667135"	941.424802	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+Cl"	34.969402
"1278444"	337.121202	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Cl"	34.969402
"21003"	641.252206	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M-2H+K"	36.948606
"463844"	943.404006	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M-2H+K"	36.948606
"844926"	339.100406	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-2H+K"	36.948606
"1564039"	339.100406	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+K-2H"	36.948606
"956299"	347.149994	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-H+HCOOH"	44.998194
"370137"	649.301801	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+HCOOH-H"	44.998201
"355114"	663.317451	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+Hac-H"	59.013851
"1501759"	361.165651	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Hac-H"	59.013851
"964196"	369.131951	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-H+NaCOOH"	66.980151
"111642"	337.121202	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+2Cl"	69.938804
"557770"	488.197102	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+2Cl"	69.938804
"1027297"	186.045302	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2Cl"	69.938804
"1247241"	381.070685	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Br"	78.918885
"1314067"	383.126672	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Cl+HCOOH"	80.974872
"1329376"	405.108629	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Cl+NaCOOH"	102.956829
"922618"	415.137386	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M-H+CF3COOH"	112.985586
"1300422"	451.114064	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Cl+CF3COOH"	148.962264
"1378583"	267.139124	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H-2H2O"	-35.012676
"1389520"	285.1491	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H-H2O"	-17.0027
"290301"	605.310876	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+H"	1.007276
"680536"	907.462676	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+H"	1.007276
"1353606"	303.159076	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H"	1.007276
"128681"	303.159076	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+2H"	2.014552
"569332"	454.234976	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+2H"	2.014552
"1042506"	152.083176	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2H"	2.014552
"205303"	202.441809333333	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+3H"	3.021828
"646321"	303.159076	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+3H"	3.021828
"1164812"	101.724542666667	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+3H"	3.021828
"426624"	622.337423	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+NH4"	18.033823
"794548"	924.489223	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+NH4"	18.033823
"1690882"	320.185623	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+NH4"	18.033823
"342439"	311.6723495	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+H+NH4"	19.041099
"732673"	462.7482495	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+H+NH4"	19.041099
"1490874"	160.5964495	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H+NH4"	19.041099
"405906"	627.292818	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+Na"	22.989218
"766901"	929.444618	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+Na"	22.989218
"1613189"	325.141018	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Na"	22.989218
"327231"	314.150047	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+H+Na"	23.996494
"719287"	465.225947	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+H+Na"	23.996494
"1474930"	163.074147	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H+Na"	23.996494
"1067205"	109.051856666667	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2H+Na"	25.00377
"1270581"	335.185286	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+CH3OH+H"	33.033486
"390613"	643.266758	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+K"	38.963158
"749420"	945.418558	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+K"	38.963158
"1552577"	341.114958	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+K"	38.963158
"313532"	322.137017	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+H+K"	39.970434
"705707"	473.212917	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+H+K"	39.970434
"1460379"	171.061117	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H+K"	39.970434
"248250"	646.337426	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+ACN+H"	42.033826
"1224365"	344.185626	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+ACN+H"	42.033826
"1208248"	172.596451	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+ACN+2H"	43.041102
"200263"	649.27476	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+2Na-H"	44.97116
"642626"	951.42656	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+2Na-H"	44.97116
"1146749"	347.12296	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2Na-H"	44.97116
"188092"	325.141018	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+2Na"	45.978436
"628268"	476.216918	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+2Na"	45.978436
"1129572"	174.065118	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2Na"	45.978436
"1413704"	116.379170666667	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H+2Na"	46.985712
"1445544"	349.164546	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H+HCOOH"	47.012746
"234056"	330.17404	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+3H2O+2H"	56.04448
"1522847"	363.21659	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+IsoProp+H"	61.06479
"422775"	333.127988	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+Na+K"	61.952376
"783401"	484.203888	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+Na+K"	61.952376
"1679005"	182.052088	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Na+K"	61.952376
"264069"	668.319368	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+ACN+Na"	64.015768
"1235314"	366.167568	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+ACN+Na"	64.015768
"1727736"	366.191093	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+NH4+HCOOH"	64.039293
"1193455"	123.706484666667	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+3Na"	68.967654
"1659450"	371.146488	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Na+HCOOH"	68.994688
"170688"	681.22264	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+2K-H"	76.91904
"612079"	983.37444	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+2K-H"	76.91904
"1099623"	379.07084	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2K-H"	76.91904
"156691"	341.114958	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"2M+2K"	77.926316
"595877"	492.190858	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"3M+2K"	77.926316
"1083798"	190.039058	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2K"	77.926316
"1108861"	381.085392	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2K+H"	78.933592
"1343058"	381.173007	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+DMSO+H"	79.021207
"1008305"	385.212176	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2ACN+H"	83.060376
"1529713"	386.205808	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+IsoProp+Na+H"	84.054008
"992881"	193.109726	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+2ACN+2H"	84.067652
"1593946"	387.120428	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+K+HCOOH"	84.968628
"1429086"	417.151938	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+H+CF3COOH"	115.000138
"1162169"	213.623001	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+3ACN+2H"	125.094202
"1712083"	434.178485	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+NH4+CF3COOH"	132.026685
"1647125"	439.13388	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+Na+CF3COOH"	136.98208
"1584962"	455.10782	"C14243"	"33-Dihydroxyhexestrol;44-(12-Diethylethylene)dipyrocatechol"	"C18H22O4"	"302.1518"	"M+K+CF3COOH"	152.95602
"816681"	200.0837	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M"	0
"984494"	181.06531	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-H2O-H"	-19.01839
"70549"	132.381857333333	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M-3H"	-3.021828
"503912"	199.076424	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M-3H"	-3.021828
"880617"	65.6872906666667	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-3H"	-3.021828
"1019"	199.076424	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M-2H"	-2.014552
"441059"	299.118274	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M-2H"	-2.014552
"819108"	99.034574	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-2H"	-2.014552
"84934"	399.160124	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M-H"	-1.007276
"522308"	599.243824	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M-H"	-1.007276
"904486"	199.076424	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-H"	-1.007276
"54487"	416.186671	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M-2H+NH4"	16.019271
"496240"	616.270371	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M-2H+NH4"	16.019271
"872945"	216.102971	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-2H+NH4"	16.019271
"39752"	421.142066	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M-2H+Na"	20.974666
"481497"	621.225766	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M-2H+Na"	20.974666
"852740"	221.058366	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-2H+Na"	20.974666
"1621179"	221.058366	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Na-2H"	20.974666
"106832"	217.064763	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M-H+Cl"	33.962126
"548212"	317.106613	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M-H+Cl"	33.962126
"940635"	117.022913	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-H+Cl"	33.962126
"277005"	435.136802	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+Cl"	34.969402
"670158"	635.220502	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+Cl"	34.969402
"1282923"	235.053102	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Cl"	34.969402
"23295"	437.116006	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M-2H+K"	36.948606
"463951"	637.199706	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M-2H+K"	36.948606
"844667"	237.032306	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-2H+K"	36.948606
"1565240"	237.032306	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+K-2H"	36.948606
"952033"	245.081894	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-H+HCOOH"	44.998194
"369151"	445.165601	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+HCOOH-H"	44.998201
"348296"	459.181251	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+Hac-H"	59.013851
"1498952"	259.097551	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Hac-H"	59.013851
"968317"	267.063851	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-H+NaCOOH"	66.980151
"119410"	235.053102	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+2Cl"	69.938804
"557880"	335.094952	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+2Cl"	69.938804
"1027043"	135.011252	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2Cl"	69.938804
"1247351"	279.002585	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Br"	78.918885
"1313813"	281.058572	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Cl+HCOOH"	80.974872
"1328393"	303.040529	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Cl+NaCOOH"	102.956829
"921635"	313.069286	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M-H+CF3COOH"	112.985586
"1300532"	349.045964	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Cl+CF3COOH"	148.962264
"1378693"	165.071024	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H-2H2O"	-35.012676
"1389630"	183.081	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H-H2O"	-17.0027
"287495"	401.174676	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+H"	1.007276
"683926"	601.258376	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+H"	1.007276
"1354808"	201.090976	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H"	1.007276
"132071"	201.090976	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+2H"	2.014552
"568713"	301.132826	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+2H"	2.014552
"1042616"	101.049126	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2H"	2.014552
"205413"	134.396409333333	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+3H"	3.021828
"646431"	201.090976	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+3H"	3.021828
"1164922"	67.7018426666667	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+3H"	3.021828
"426372"	418.201223	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+NH4"	18.033823
"794658"	618.284923	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+NH4"	18.033823
"1693544"	218.117523	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+NH4"	18.033823
"342549"	209.6042495	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+H+NH4"	19.041099
"732783"	309.6460995	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+H+NH4"	19.041099
"1490984"	109.5623995	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H+NH4"	19.041099
"406380"	423.156618	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+Na"	22.989218
"767375"	623.240318	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+Na"	22.989218
"1618154"	223.072918	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Na"	22.989218
"328799"	212.081947	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+H+Na"	23.996494
"721098"	312.123797	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+H+Na"	23.996494
"1476132"	112.040097	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H+Na"	23.996494
"1067435"	75.0291566666667	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2H+Na"	25.00377
"1272519"	233.117186	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+CH3OH+H"	33.033486
"390361"	439.130558	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+K"	38.963158
"750625"	639.214258	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+K"	38.963158
"1551593"	239.046858	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+K"	38.963158
"313396"	220.068917	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+H+K"	39.970434
"705937"	320.110767	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+H+K"	39.970434
"1459394"	120.027067	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H+K"	39.970434
"245807"	442.201226	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+ACN+H"	42.033826
"1222163"	242.117526	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+ACN+H"	42.033826
"1207505"	121.562401	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+ACN+2H"	43.041102
"200373"	445.13856	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+2Na-H"	44.97116
"642489"	645.22226	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+2Na-H"	44.97116
"1146942"	245.05486	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2Na-H"	44.97116
"187836"	223.072918	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+2Na"	45.978436
"628128"	323.114768	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+2Na"	45.978436
"1126882"	123.031068	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2Na"	45.978436
"1412597"	82.3564706666667	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H+2Na"	46.985712
"1442522"	247.096446	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H+HCOOH"	47.012746
"232583"	228.10594	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+3H2O+2H"	56.04448
"1521010"	261.14849	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+IsoProp+H"	61.06479
"419964"	231.059888	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+Na+K"	61.952376
"779865"	331.101738	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+Na+K"	61.952376
"1674010"	131.018038	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Na+K"	61.952376
"261623"	464.183168	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+ACN+Na"	64.015768
"1231050"	264.099468	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+ACN+Na"	64.015768
"1728166"	264.122993	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+NH4+HCOOH"	64.039293
"1193926"	89.6837846666667	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+3Na"	68.967654
"1659560"	269.078388	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Na+HCOOH"	68.994688
"169705"	477.08644	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+2K-H"	76.91904
"611822"	677.17014	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+2K-H"	76.91904
"1097058"	277.00274	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2K-H"	76.91904
"156062"	239.046858	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"2M+2K"	77.926316
"596108"	339.088708	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"3M+2K"	77.926316
"1082931"	139.005008	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2K"	77.926316
"1108971"	279.017292	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2K+H"	78.933592
"1343168"	279.104907	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+DMSO+H"	79.021207
"1008416"	283.144076	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2ACN+H"	83.060376
"1526907"	284.137708	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+IsoProp+Na+H"	84.054008
"992991"	142.075676	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+2ACN+2H"	84.067652
"1594056"	285.052328	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+K+HCOOH"	84.968628
"1428466"	315.083838	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+H+CF3COOH"	115.000138
"1161911"	162.588951	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+3ACN+2H"	125.094202
"1709397"	332.110385	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+NH4+CF3COOH"	132.026685
"1640674"	337.06578	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+Na+CF3COOH"	136.98208
"1585072"	353.03972	"C14244"	"4-(Benzyloxyl)phenol;Monobenzone;4-(Phenylmethoxy)phenol"	"C13H12O2"	"200.0837"	"M+K+CF3COOH"	152.95602
"815444"	262.2297	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M"	0
"982417"	243.21131	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-H2O-H"	-19.01839
"71752"	173.812524	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M-3H"	-3.021828
"505115"	261.222424	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M-3H"	-3.021828
"880847"	86.402624	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-3H"	-3.021828
"3315"	261.222424	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M-2H"	-2.014552
"441415"	392.337274	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M-2H"	-2.014552
"819218"	130.107574	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-2H"	-2.014552
"85044"	523.452124	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M-H"	-1.007276
"522418"	785.681824	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M-H"	-1.007276
"908605"	261.222424	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-H"	-1.007276
"58970"	540.478671	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M-2H+NH4"	16.019271
"502177"	802.708371	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M-2H+NH4"	16.019271
"875237"	278.248971	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-2H+NH4"	16.019271
"42049"	545.434066	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M-2H+Na"	20.974666
"482700"	807.663766	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M-2H+Na"	20.974666
"855035"	283.204366	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-2H+Na"	20.974666
"1621650"	283.204366	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Na-2H"	20.974666
"107307"	279.210763	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M-H+Cl"	33.962126
"548321"	410.325613	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M-H+Cl"	33.962126
"938922"	148.095913	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-H+Cl"	33.962126
"277115"	559.428802	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+Cl"	34.969402
"669539"	821.658502	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+Cl"	34.969402
"1279753"	297.199102	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Cl"	34.969402
"20853"	561.408006	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M-2H+K"	36.948606
"466247"	823.637706	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M-2H+K"	36.948606
"845141"	299.178306	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-2H+K"	36.948606
"1567536"	299.178306	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+K-2H"	36.948606
"951050"	307.227894	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-H+HCOOH"	44.998194
"369261"	569.457601	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+HCOOH-H"	44.998201
"351686"	583.473251	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+Hac-H"	59.013851
"1499062"	321.243551	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Hac-H"	59.013851
"969520"	329.209851	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-H+NaCOOH"	66.980151
"120613"	297.199102	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+2Cl"	69.938804
"557990"	428.313952	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+2Cl"	69.938804
"1027153"	166.084252	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2Cl"	69.938804
"1249648"	341.148585	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Br"	78.918885
"1315016"	343.204572	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Cl+HCOOH"	80.974872
"1329596"	365.186529	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Cl+NaCOOH"	102.956829
"922838"	375.215286	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M-H+CF3COOH"	112.985586
"1300642"	411.191964	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Cl+CF3COOH"	148.962264
"1381355"	227.217024	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H-2H2O"	-35.012676
"1394479"	245.227	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H-H2O"	-17.0027
"290521"	525.466676	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+H"	1.007276
"686952"	787.696376	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+H"	1.007276
"1357106"	263.236976	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H"	1.007276
"137649"	263.236976	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+2H"	2.014552
"569188"	394.351826	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+2H"	2.014552
"1041632"	132.122126	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2H"	2.014552
"206979"	175.827076	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+3H"	3.021828
"646175"	263.236976	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+3H"	3.021828
"1165030"	88.417176	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+3H"	3.021828
"428302"	542.493223	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+NH4"	18.033823
"789297"	804.722923	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+NH4"	18.033823
"1687818"	280.263523	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+NH4"	18.033823
"339378"	271.7502495	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+H+NH4"	19.041099
"730705"	402.8650995	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+H+NH4"	19.041099
"1482336"	140.6353995	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H+NH4"	19.041099
"397736"	547.448618	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+Na"	22.989218
"762012"	809.678318	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+Na"	22.989218
"1612301"	285.218918	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Na"	22.989218
"322336"	274.227947	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+H+Na"	23.996494
"713667"	405.342797	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+H+Na"	23.996494
"1469672"	143.113097	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H+Na"	23.996494
"1057084"	95.74449	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2H+Na"	25.00377
"1272137"	295.263186	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+CH3OH+H"	33.033486
"391683"	563.422558	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+K"	38.963158
"752801"	825.652258	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+K"	38.963158
"1553888"	301.192858	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+K"	38.963158
"313625"	282.214917	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+H+K"	39.970434
"706047"	413.329767	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+H+K"	39.970434
"1458409"	151.100067	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H+K"	39.970434
"246647"	566.493226	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+ACN+H"	42.033826
"1221906"	304.263526	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+ACN+H"	42.033826
"1205789"	152.635401	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+ACN+2H"	43.041102
"201212"	569.43056	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+2Na-H"	44.97116
"641506"	831.66026	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+2Na-H"	44.97116
"1146724"	307.20086	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2Na-H"	44.97116
"187705"	285.218918	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+2Na"	45.978436
"627873"	416.333768	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+2Na"	45.978436
"1128085"	154.104068	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2Na"	45.978436
"1412827"	103.071804	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H+2Na"	46.985712
"1443724"	309.242446	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H+HCOOH"	47.012746
"234882"	290.25194	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+3H2O+2H"	56.04448
"1521848"	323.29449	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+IsoProp+H"	61.06479
"421896"	293.205888	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+Na+K"	61.952376
"781797"	424.320738	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+Na+K"	61.952376
"1678495"	162.091038	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Na+K"	61.952376
"262826"	588.475168	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+ACN+Na"	64.015768
"1232253"	326.245468	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+ACN+Na"	64.015768
"1727342"	326.268993	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+NH4+HCOOH"	64.039293
"1193668"	110.399118	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+3Na"	68.967654
"1655296"	331.224388	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Na+HCOOH"	68.994688
"168719"	601.37844	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+2K-H"	76.91904
"611564"	863.60814	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+2K-H"	76.91904
"1097168"	339.14874	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2K-H"	76.91904
"156745"	301.192858	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"2M+2K"	77.926316
"593544"	432.307708	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"3M+2K"	77.926316
"1083893"	170.078008	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2K"	77.926316
"1105799"	341.163292	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2K+H"	78.933592
"1343278"	341.250907	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+DMSO+H"	79.021207
"1007918"	345.290076	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2ACN+H"	83.060376
"1529933"	346.283708	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+IsoProp+Na+H"	84.054008
"993101"	173.148676	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+2ACN+2H"	84.067652
"1594166"	347.198328	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+K+HCOOH"	84.968628
"1429507"	377.229838	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+H+CF3COOH"	115.000138
"1162142"	193.661951	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+3ACN+2H"	125.094202
"1709507"	394.256385	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+NH4+CF3COOH"	132.026685
"1640784"	399.21178	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+Na+CF3COOH"	136.98208
"1585182"	415.18572	"C14245"	"4-Dodecylphenol"	"C18H30O"	"262.2297"	"M+K+CF3COOH"	152.95602
"816283"	222.0003	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M"	0
"983620"	202.98191	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-H2O-H"	-19.01839
"72954"	146.992924	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M-3H"	-3.021828
"503768"	220.993024	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M-3H"	-3.021828
"880230"	72.992824	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-3H"	-3.021828
"1239"	220.993024	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M-2H"	-2.014552
"440798"	331.993174	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M-2H"	-2.014552
"817460"	109.992874	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-2H"	-2.014552
"84061"	442.993324	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M-H"	-1.007276
"521435"	664.993624	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M-H"	-1.007276
"905799"	220.993024	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-H"	-1.007276
"56893"	460.019871	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M-2H+NH4"	16.019271
"500464"	682.020171	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M-2H+NH4"	16.019271
"874254"	238.019571	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-2H+NH4"	16.019271
"42159"	464.975266	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M-2H+Na"	20.974666
"481717"	686.975566	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M-2H+Na"	20.974666
"855146"	242.974966	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-2H+Na"	20.974666
"1621396"	242.974966	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Na-2H"	20.974666
"107774"	238.981363	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M-H+Cl"	33.962126
"547339"	349.981513	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M-H+Cl"	33.962126
"939032"	127.981213	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-H+Cl"	33.962126
"277954"	478.970002	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+Cl"	34.969402
"669648"	700.970302	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+Cl"	34.969402
"1278769"	256.969702	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Cl"	34.969402
"20599"	480.949206	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M-2H+K"	36.948606
"460889"	702.949506	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M-2H+K"	36.948606
"841970"	258.948906	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-2H+K"	36.948606
"1565458"	258.948906	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+K-2H"	36.948606
"953343"	266.998494	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-H+HCOOH"	44.998194
"366453"	488.998801	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+HCOOH-H"	44.998201
"349241"	503.014451	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+Hac-H"	59.013851
"1499172"	281.014151	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Hac-H"	59.013851
"965255"	288.980451	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-H+NaCOOH"	66.980151
"119630"	256.969702	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+2Cl"	69.938804
"558100"	367.969852	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+2Cl"	69.938804
"1027263"	145.969552	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2Cl"	69.938804
"1250851"	300.919185	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Br"	78.918885
"1317311"	302.975172	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Cl+HCOOH"	80.974872
"1330799"	324.957129	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Cl+NaCOOH"	102.956829
"922584"	334.985886	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M-H+CF3COOH"	112.985586
"1302939"	370.962564	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Cl+CF3COOH"	148.962264
"1381101"	186.987624	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H-2H2O"	-35.012676
"1393130"	204.9976	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H-H2O"	-17.0027
"293911"	445.007876	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+H"	1.007276
"689978"	667.008176	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+H"	1.007276
"1357216"	223.007576	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H"	1.007276
"138487"	223.007576	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+2H"	2.014552
"569663"	334.007726	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+2H"	2.014552
"1041742"	112.007426	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2H"	2.014552
"206725"	149.007476	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+3H"	3.021828
"646649"	223.007576	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+3H"	3.021828
"1163318"	75.007376	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+3H"	3.021828
"426226"	462.034423	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+NH4"	18.033823
"788314"	684.034723	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+NH4"	18.033823
"1689021"	240.034123	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+NH4"	18.033823
"338393"	231.5208495	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+H+NH4"	19.041099
"728628"	342.5209995	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+H+NH4"	19.041099
"1482446"	120.5206995	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H+NH4"	19.041099
"398939"	466.989818	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+Na"	22.989218
"761028"	688.990118	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+Na"	22.989218
"1609132"	244.989518	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Na"	22.989218
"320259"	233.998547	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+H+Na"	23.996494
"713776"	344.998697	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+H+Na"	23.996494
"1468691"	122.998397	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H+Na"	23.996494
"1057562"	82.33469	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2H+Na"	25.00377
"1264708"	255.033786	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+CH3OH+H"	33.033486
"382188"	482.963758	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+K"	38.963158
"742092"	704.964058	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+K"	38.963158
"1549619"	260.963458	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+K"	38.963158
"302420"	241.985517	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+H+K"	39.970434
"704689"	352.985667	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+H+K"	39.970434
"1458512"	130.985367	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H+K"	39.970434
"248208"	486.034426	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+ACN+H"	42.033826
"1219824"	264.034126	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+ACN+H"	42.033826
"1206258"	132.520701	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+ACN+2H"	43.041102
"199859"	488.97176	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+2Na-H"	44.97116
"640149"	710.97206	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+2Na-H"	44.97116
"1144017"	266.97146	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2Na-H"	44.97116
"186582"	244.989518	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+2Na"	45.978436
"626144"	355.989668	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+2Na"	45.978436
"1129654"	133.989368	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2Na"	45.978436
"1411715"	89.662004	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H+2Na"	46.985712
"1442738"	269.013046	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H+HCOOH"	47.012746
"228062"	250.02254	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+3H2O+2H"	56.04448
"1519403"	283.06509	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+IsoProp+H"	61.06479
"422371"	252.976488	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+Na+K"	61.952376
"781179"	363.976638	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+Na+K"	61.952376
"1675322"	141.976338	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Na+K"	61.952376
"261841"	508.016368	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+ACN+Na"	64.015768
"1235643"	286.016068	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+ACN+Na"	64.015768
"1714688"	286.039593	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+NH4+HCOOH"	64.039293
"1183323"	96.989318	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+3Na"	68.967654
"1658686"	290.994988	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Na+HCOOH"	68.994688
"158618"	520.91964	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+2K-H"	76.91904
"611672"	742.91994	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+2K-H"	76.91904
"1098371"	298.91934	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2K-H"	76.91904
"157016"	260.963458	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"2M+2K"	77.926316
"593654"	371.963608	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"3M+2K"	77.926316
"1083842"	149.963308	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2K"	77.926316
"1108096"	300.933892	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2K+H"	78.933592
"1340108"	301.021507	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+DMSO+H"	79.021207
"1008636"	305.060676	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2ACN+H"	83.060376
"1530043"	306.054308	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+IsoProp+Na+H"	84.054008
"994304"	153.033976	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+2ACN+2H"	84.067652
"1594276"	306.968928	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+K+HCOOH"	84.968628
"1428319"	337.000438	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+H+CF3COOH"	115.000138
"1162619"	173.547251	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+3ACN+2H"	125.094202
"1709617"	354.026985	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+NH4+CF3COOH"	132.026685
"1640894"	358.98238	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+Na+CF3COOH"	136.98208
"1576544"	374.95632	"C14246"	"24-Dichlorobiphenyl;PCB 8"	"C12H8Cl2"	"222.0003"	"M+K+CF3COOH"	152.95602
"816029"	289.9224	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M"	0
"987376"	270.90401	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"73065"	192.274324	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"503878"	288.915124	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"882771"	95.633524	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"256"	288.915124	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"442001"	433.876324	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"817981"	143.953924	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"88545"	578.837524	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"524825"	868.759924	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"907004"	288.915124	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"58099"	595.864071	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"500819"	885.786471	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"876432"	305.941671	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"40082"	600.819466	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"480734"	890.741866	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"855257"	310.897066	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1622599"	310.897066	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"103507"	306.903463	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"546357"	451.864663	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"938778"	161.942263	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"277335"	614.814202	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"666478"	904.736602	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1281066"	324.891802	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"22166"	616.793406	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"460633"	906.715806	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"842080"	326.871006	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1565568"	326.871006	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"951267"	334.920594	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"367656"	624.843001	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"348989"	638.858651	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1502198"	348.936251	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"965365"	356.902551	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"119740"	324.891802	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"554930"	469.853002	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1027371"	179.930602	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1245855"	368.841285	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1317055"	370.897272	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1330909"	392.879229	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"922694"	402.907986	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1303294"	438.884664	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1381334"	254.909724	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1395792"	272.9197	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"296937"	580.852076	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"690089"	870.774476	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1357326"	290.929676	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"138597"	290.929676	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"570866"	435.890876	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1041852"	145.968476	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"209750"	194.288876	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"648581"	290.929676	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1165250"	97.648076	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"425971"	597.878623	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"789515"	887.801023	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1685851"	307.956223	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"334129"	299.4429495	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"728738"	444.4041495	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1483649"	154.4817495	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"394675"	602.834018	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"757857"	892.756418	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1609240"	312.911618	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"321462"	301.920647	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"715341"	446.881847	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1469894"	156.959447	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1058765"	104.97539	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1261538"	322.955886	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"381203"	618.807958	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"742198"	908.730358	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1550822"	328.885558	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"303623"	309.907617	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"702607"	454.868817	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1458622"	164.946417	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"248318"	621.878626	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1222122"	331.956226	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1204906"	166.481751	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"202521"	624.81596	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"643175"	914.73836	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1144129"	334.89356	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"186690"	312.911618	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"627592"	457.872818	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1131064"	167.950418	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1412554"	112.302704	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1443941"	336.935146	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"231452"	317.94464	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1520606"	350.98719	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"423578"	320.898588	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"783112"	465.859788	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1676526"	175.937388	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"261951"	643.860568	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1233566"	353.938168	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1715527"	353.961693	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1183433"	119.630018	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1656609"	358.917088	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"159090"	656.76384	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"608501"	946.68624	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1097388"	366.84144	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"154202"	328.885558	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"593762"	473.846758	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1081559"	183.924358	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1109299"	368.855992	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1338029"	368.943607	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1010933"	372.982776	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1527966"	373.976408	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"993321"	186.995026	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1594386"	374.891028	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1425513"	404.922538	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1159082"	207.508301	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1706447"	421.949085	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1641004"	426.90448	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1575561"	442.87842	"C14247"	"2244-Tetrachlorobiphenyl;PCB 47"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"814314"	222.0003	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M"	0
"981653"	202.98191	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-H2O-H"	-19.01839
"65521"	146.992924	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M-3H"	-3.021828
"503450"	220.993024	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M-3H"	-3.021828
"880567"	72.992824	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-3H"	-3.021828
"5832"	220.993024	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M-2H"	-2.014552
"442111"	331.993174	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M-2H"	-2.014552
"818821"	109.992874	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-2H"	-2.014552
"85375"	442.993324	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M-H"	-1.007276
"523842"	664.993624	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M-H"	-1.007276
"904925"	220.993024	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-H"	-1.007276
"56021"	460.019871	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M-2H+NH4"	16.019271
"498862"	682.020171	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M-2H+NH4"	16.019271
"876542"	238.019571	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-2H+NH4"	16.019271
"33632"	464.975266	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M-2H+Na"	20.974666
"475376"	686.975566	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M-2H+Na"	20.974666
"850993"	242.974966	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-2H+Na"	20.974666
"1620157"	242.974966	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Na-2H"	20.974666
"101430"	238.981363	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M-H+Cl"	33.962126
"546466"	349.981513	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M-H+Cl"	33.962126
"939983"	127.981213	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-H+Cl"	33.962126
"275258"	478.970002	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+Cl"	34.969402
"665859"	700.970302	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+Cl"	34.969402
"1278989"	256.969702	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Cl"	34.969402
"16400"	480.949206	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M-2H+K"	36.948606
"459649"	702.949506	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M-2H+K"	36.948606
"840002"	258.948906	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-2H+K"	36.948606
"1558022"	258.948906	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+K-2H"	36.948606
"950284"	266.998494	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-H+HCOOH"	44.998194
"367038"	488.998801	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+HCOOH-H"	44.998201
"349463"	503.014451	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+Hac-H"	59.013851
"1495378"	281.014151	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Hac-H"	59.013851
"964381"	288.980451	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-H+NaCOOH"	66.980151
"117664"	256.969702	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+2Cl"	69.938804
"555038"	367.969852	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+2Cl"	69.938804
"1026389"	145.969552	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2Cl"	69.938804
"1246329"	300.919185	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Br"	78.918885
"1317165"	302.975172	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Cl+HCOOH"	80.974872
"1328833"	324.957129	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Cl+NaCOOH"	102.956829
"922804"	334.985886	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M-H+CF3COOH"	112.985586
"1301701"	370.962564	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Cl+CF3COOH"	148.962264
"1380593"	186.987624	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H-2H2O"	-35.012676
"1393351"	204.9976	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H-H2O"	-17.0027
"295225"	445.007876	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+H"	1.007276
"690566"	667.008176	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+H"	1.007276
"1360716"	223.007576	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H"	1.007276
"139071"	223.007576	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+2H"	2.014552
"570977"	334.007726	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+2H"	2.014552
"1040140"	112.007426	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2H"	2.014552
"207310"	149.007476	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+3H"	3.021828
"649420"	223.007576	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+3H"	3.021828
"1165359"	75.007376	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+3H"	3.021828
"426446"	462.034423	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+NH4"	18.033823
"790718"	684.034723	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+NH4"	18.033823
"1684868"	240.034123	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+NH4"	18.033823
"336425"	231.5208495	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+H+NH4"	19.041099
"731035"	342.5209995	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+H+NH4"	19.041099
"1483759"	120.5206995	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H+NH4"	19.041099
"396972"	466.989818	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+Na"	22.989218
"760154"	688.990118	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+Na"	22.989218
"1607164"	244.989518	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Na"	22.989218
"318292"	233.998547	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+H+Na"	23.996494
"711806"	344.998697	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+H+Na"	23.996494
"1466724"	122.998397	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H+Na"	23.996494
"1057782"	82.33469	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2H+Na"	25.00377
"1262741"	255.033786	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+CH3OH+H"	33.033486
"380219"	482.963758	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+K"	38.963158
"742672"	704.964058	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+K"	38.963158
"1552025"	260.963458	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+K"	38.963158
"302640"	241.985517	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+H+K"	39.970434
"697250"	352.985667	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+H+K"	39.970434
"1448882"	130.985367	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H+K"	39.970434
"248428"	486.034426	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+ACN+H"	42.033826
"1222596"	264.034126	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+ACN+H"	42.033826
"1202830"	132.520701	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+ACN+2H"	43.041102
"200809"	488.97176	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+2Na-H"	44.97116
"641465"	710.97206	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+2Na-H"	44.97116
"1143511"	266.97146	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2Na-H"	44.97116
"187531"	244.989518	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+2Na"	45.978436
"627339"	355.989668	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+2Na"	45.978436
"1129753"	133.989368	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2Na"	45.978436
"1410844"	89.662004	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H+2Na"	46.985712
"1443688"	269.013046	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H+HCOOH"	47.012746
"230468"	250.02254	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+3H2O+2H"	56.04448
"1519623"	283.06509	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+IsoProp+H"	61.06479
"423320"	252.976488	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+Na+K"	61.952376
"782492"	363.976638	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+Na+K"	61.952376
"1674449"	141.976338	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Na+K"	61.952376
"258781"	508.016368	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+ACN+Na"	64.015768
"1230395"	286.016068	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+ACN+Na"	64.015768
"1716366"	286.039593	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+NH4+HCOOH"	64.039293
"1181720"	96.989318	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+3Na"	68.967654
"1656719"	290.994988	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Na+HCOOH"	68.994688
"159565"	520.91964	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+2K-H"	76.91904
"609704"	742.91994	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+2K-H"	76.91904
"1095311"	298.91934	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2K-H"	76.91904
"152125"	260.963458	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"2M+2K"	77.926316
"593872"	371.963608	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"3M+2K"	77.926316
"1080575"	149.963308	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2K"	77.926316
"1106129"	300.933892	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2K+H"	78.933592
"1336316"	301.021507	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+DMSO+H"	79.021207
"1009949"	305.060676	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2ACN+H"	83.060376
"1528076"	306.054308	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+IsoProp+Na+H"	84.054008
"994524"	153.033976	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+2ACN+2H"	84.067652
"1592309"	306.968928	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+K+HCOOH"	84.968628
"1423436"	337.000438	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+H+CF3COOH"	115.000138
"1160286"	173.547251	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+3ACN+2H"	125.094202
"1704370"	354.026985	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+NH4+CF3COOH"	132.026685
"1641114"	358.98238	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+Na+CF3COOH"	136.98208
"1575671"	374.95632	"C14248"	"44-Dichlorobiphenyl;PCB 15"	"C12H8Cl2"	"222.0003"	"M+K+CF3COOH"	152.95602
"813697"	298.1933	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M"	0
"981763"	279.17491	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-H2O-H"	-19.01839
"70004"	197.788257333333	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M-3H"	-3.021828
"503322"	297.186024	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M-3H"	-3.021828
"880680"	98.3904906666667	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-3H"	-3.021828
"2663"	297.186024	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M-2H"	-2.014552
"442220"	446.282674	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M-2H"	-2.014552
"819294"	148.089374	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-2H"	-2.014552
"85485"	595.379324	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M-H"	-1.007276
"526139"	893.572624	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M-H"	-1.007276
"905036"	297.186024	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-H"	-1.007276
"57224"	612.405871	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M-2H+NH4"	16.019271
"496786"	910.599171	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M-2H+NH4"	16.019271
"874585"	314.212571	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-2H+NH4"	16.019271
"35928"	617.361266	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M-2H+Na"	20.974666
"476580"	915.554566	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M-2H+Na"	20.974666
"849281"	319.167966	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-2H+Na"	20.974666
"1621727"	319.167966	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Na-2H"	20.974666
"99354"	315.174363	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M-H+Cl"	33.962126
"546941"	464.271013	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M-H+Cl"	33.962126
"939364"	166.077713	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-H+Cl"	33.962126
"275368"	631.356002	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+Cl"	34.969402
"667426"	929.549302	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+Cl"	34.969402
"1276912"	333.162702	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Cl"	34.969402
"18011"	633.335206	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M-2H+K"	36.948606
"461945"	931.528506	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M-2H+K"	36.948606
"838654"	335.141906	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-2H+K"	36.948606
"1558861"	335.141906	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+K-2H"	36.948606
"951487"	343.191494	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-H+HCOOH"	44.998194
"368241"	641.384801	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+HCOOH-H"	44.998201
"350302"	655.400451	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+Hac-H"	59.013851
"1495488"	357.207151	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Hac-H"	59.013851
"964490"	365.173451	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-H+NaCOOH"	66.980151
"116680"	333.162702	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+2Cl"	69.938804
"556606"	482.259352	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+2Cl"	69.938804
"1021918"	184.066052	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2Cl"	69.938804
"1241698"	377.112185	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Br"	78.918885
"1305607"	379.168172	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Cl+HCOOH"	80.974872
"1331126"	401.150129	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Cl+NaCOOH"	102.956829
"921820"	411.178886	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M-H+CF3COOH"	112.985586
"1297799"	447.155564	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Cl+CF3COOH"	148.962264
"1379606"	263.180624	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H-2H2O"	-35.012676
"1390177"	281.1906	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H-H2O"	-17.0027
"293875"	597.393876	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+H"	1.007276
"681192"	895.587176	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+H"	1.007276
"1366620"	299.200576	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H"	1.007276
"138088"	299.200576	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+2H"	2.014552
"571087"	448.297226	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+2H"	2.014552
"1039521"	150.103926	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2H"	2.014552
"205963"	199.802809333333	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+3H"	3.021828
"645400"	299.200576	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+3H"	3.021828
"1163280"	100.405042666667	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+3H"	3.021828
"424733"	614.420423	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+NH4"	18.033823
"787913"	912.613723	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+NH4"	18.033823
"1684978"	316.227123	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+NH4"	18.033823
"334349"	307.7138495	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+H+NH4"	19.041099
"730052"	456.8104995	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+H+NH4"	19.041099
"1480589"	158.6171995	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H+NH4"	19.041099
"395989"	619.375818	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+Na"	22.989218
"760264"	917.569118	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+Na"	22.989218
"1608367"	321.182518	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Na"	22.989218
"318402"	310.191547	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+H+Na"	23.996494
"711916"	459.288197	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+H+Na"	23.996494
"1465741"	161.094897	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H+Na"	23.996494
"1055705"	107.732356666667	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2H+Na"	25.00377
"1262850"	331.226786	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+CH3OH+H"	33.033486
"379963"	635.349758	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+K"	38.963158
"743875"	933.543058	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+K"	38.963158
"1553228"	337.156458	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+K"	38.963158
"303843"	318.178517	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+H+K"	39.970434
"695534"	467.275167	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+H+K"	39.970434
"1448992"	169.081867	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H+K"	39.970434
"248538"	638.420426	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+ACN+H"	42.033826
"1220154"	340.227126	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+ACN+H"	42.033826
"1201847"	170.617201	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+ACN+2H"	43.041102
"201647"	641.35776	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+2Na-H"	44.97116
"642668"	939.55106	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+2Na-H"	44.97116
"1144349"	343.16446	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2Na-H"	44.97116
"187276"	321.182518	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+2Na"	45.978436
"628059"	470.279168	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+2Na"	45.978436
"1129985"	172.085868	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2Na"	45.978436
"1413142"	115.059670666667	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H+2Na"	46.985712
"1444893"	345.206046	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H+HCOOH"	47.012746
"232765"	326.21554	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+3H2O+2H"	56.04448
"1521920"	359.25809	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+IsoProp+H"	61.06479
"423673"	329.169488	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+Na+K"	61.952376
"782604"	478.266138	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+Na+K"	61.952376
"1674559"	180.072838	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Na+K"	61.952376
"259984"	660.402368	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+ACN+Na"	64.015768
"1231235"	362.209068	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+ACN+Na"	64.015768
"1718299"	362.232593	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+NH4+HCOOH"	64.039293
"1184746"	122.386984666667	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+3Na"	68.967654
"1656829"	367.187988	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Na+HCOOH"	68.994688
"158583"	673.30564	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+2K-H"	76.91904
"610907"	971.49894	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+2K-H"	76.91904
"1097607"	375.11234	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2K-H"	76.91904
"152235"	337.156458	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"2M+2K"	77.926316
"593982"	486.253108	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"3M+2K"	77.926316
"1079592"	188.059808	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2K"	77.926316
"1106239"	377.126892	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2K+H"	78.933592
"1337639"	377.214507	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+DMSO+H"	79.021207
"1011152"	381.253676	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2ACN+H"	83.060376
"1528186"	382.247308	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+IsoProp+Na+H"	84.054008
"994634"	191.130476	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+2ACN+2H"	84.067652
"1598980"	383.161928	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+K+HCOOH"	84.968628
"1423546"	413.193438	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+H+CF3COOH"	115.000138
"1158209"	211.643751	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+3ACN+2H"	125.094202
"1707760"	430.219985	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+NH4+CF3COOH"	132.026685
"1647785"	435.17538	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+Na+CF3COOH"	136.98208
"1585622"	451.14932	"C14249"	"Norethynodrel"	"C20H26O2"	"298.1933"	"M+K+CF3COOH"	152.95602
"813808"	308.0371	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M"	0
"984060"	289.01871	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-H2O-H"	-19.01839
"73396"	204.350790666667	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M-3H"	-3.021828
"507490"	307.029824	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M-3H"	-3.021828
"880090"	101.671757333333	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-3H"	-3.021828
"2773"	307.029824	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M-2H"	-2.014552
"442333"	461.048374	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M-2H"	-2.014552
"819041"	153.011274	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-2H"	-2.014552
"85595"	615.066924	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M-H"	-1.007276
"525156"	923.104024	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M-H"	-1.007276
"902960"	307.029824	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-H"	-1.007276
"56241"	632.093471	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M-2H+NH4"	16.019271
"497989"	940.130571	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M-2H+NH4"	16.019271
"877613"	324.056371	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-2H+NH4"	16.019271
"43326"	637.048866	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M-2H+Na"	20.974666
"478878"	945.085966	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M-2H+Na"	20.974666
"852303"	329.011766	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-2H+Na"	20.974666
"1620742"	329.011766	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Na-2H"	20.974666
"99464"	325.018163	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M-H+Cl"	33.962126
"542307"	479.036713	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M-H+Cl"	33.962126
"932543"	170.999613	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-H+Cl"	33.962126
"273291"	651.043602	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+Cl"	34.969402
"671179"	959.080702	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+Cl"	34.969402
"1279208"	343.006502	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Cl"	34.969402
"20308"	653.022806	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M-2H+K"	36.948606
"463150"	961.059906	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M-2H+K"	36.948606
"840952"	344.985706	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-2H+K"	36.948606
"1558971"	344.985706	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+K-2H"	36.948606
"951597"	353.035294	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-H+HCOOH"	44.998194
"367258"	661.072401	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+HCOOH-H"	44.998201
"350776"	675.088051	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+Hac-H"	59.013851
"1498514"	367.050951	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Hac-H"	59.013851
"964965"	375.017251	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-H+NaCOOH"	66.980151
"115333"	343.006502	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+2Cl"	69.938804
"559632"	497.025052	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+2Cl"	69.938804
"1024054"	188.987952	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2Cl"	69.938804
"1241519"	386.955985	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Br"	78.918885
"1313738"	389.011972	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Cl+HCOOH"	80.974872
"1331235"	410.993929	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Cl+NaCOOH"	102.956829
"919013"	421.022686	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M-H+CF3COOH"	112.985586
"1295722"	456.999364	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Cl+CF3COOH"	148.962264
"1374977"	273.024424	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H-2H2O"	-35.012676
"1390287"	291.0344	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H-H2O"	-17.0027
"290705"	617.081476	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+H"	1.007276
"682395"	925.118576	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+H"	1.007276
"1364214"	309.044376	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H"	1.007276
"138198"	309.044376	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+2H"	2.014552
"574478"	463.062926	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+2H"	2.014552
"1041091"	155.025826	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2H"	2.014552
"205345"	206.365342666667	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+3H"	3.021828
"644415"	309.044376	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+3H"	3.021828
"1162804"	103.686309333333	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+3H"	3.021828
"426667"	634.108023	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+NH4"	18.033823
"786201"	942.145123	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+NH4"	18.033823
"1682170"	326.070923	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+NH4"	18.033823
"335552"	317.5576495	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+H+NH4"	19.041099
"730160"	471.5761995	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+H+NH4"	19.041099
"1479606"	163.5390995	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H+NH4"	19.041099
"394639"	639.063418	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+Na"	22.989218
"758187"	947.100518	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+Na"	22.989218
"1606288"	331.026318	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Na"	22.989218
"320699"	320.035347	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+H+Na"	23.996494
"712026"	474.053897	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+H+Na"	23.996494
"1464757"	166.016797	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H+Na"	23.996494
"1056542"	111.013623333333	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2H+Na"	25.00377
"1261866"	341.070586	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+CH3OH+H"	33.033486
"379707"	655.037358	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+K"	38.963158
"742526"	963.074458	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+K"	38.963158
"1553339"	347.000258	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+K"	38.963158
"302861"	328.022317	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+H+K"	39.970434
"698563"	482.040867	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+H+K"	39.970434
"1449102"	174.003767	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H+K"	39.970434
"237702"	658.108026	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+ACN+H"	42.033826
"1211505"	350.070926	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+ACN+H"	42.033826
"1196846"	175.539101	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+ACN+2H"	43.041102
"200662"	661.04536	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+2Na-H"	44.97116
"642779"	969.08246	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+2Na-H"	44.97116
"1144094"	353.00826	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2Na-H"	44.97116
"185562"	331.026318	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+2Na"	45.978436
"626583"	485.044868	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+2Na"	45.978436
"1130825"	177.007768	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2Na"	45.978436
"1414119"	118.340937333333	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H+2Na"	46.985712
"1445208"	355.049846	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H+HCOOH"	47.012746
"229595"	336.05934	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+3H2O+2H"	56.04448
"1523367"	369.10189	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+IsoProp+H"	61.06479
"423664"	339.013288	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+Na+K"	61.952376
"782348"	493.031838	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+Na+K"	61.952376
"1675761"	184.994738	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Na+K"	61.952376
"262646"	680.089968	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+ACN+Na"	64.015768
"1233531"	372.052868	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+ACN+Na"	64.015768
"1717315"	372.076393	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+NH4+HCOOH"	64.039293
"1184854"	125.668251333333	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+3Na"	68.967654
"1660220"	377.031788	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Na+HCOOH"	68.994688
"163800"	692.99324	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+2K-H"	76.91904
"609923"	1001.03034	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+2K-H"	76.91904
"1097717"	384.95614	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2K-H"	76.91904
"152345"	347.000258	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"2M+2K"	77.926316
"588625"	501.018808	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"3M+2K"	77.926316
"1078607"	192.981708	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2K"	77.926316
"1107442"	386.970692	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2K+H"	78.933592
"1336901"	387.058307	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+DMSO+H"	79.021207
"1007983"	391.097476	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2ACN+H"	83.060376
"1526471"	392.091108	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+IsoProp+Na+H"	84.054008
"991826"	196.052376	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+2ACN+2H"	84.067652
"1593622"	393.005728	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+K+HCOOH"	84.968628
"1423656"	423.037238	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+H+CF3COOH"	115.000138
"1157225"	216.565651	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+3ACN+2H"	125.094202
"1704590"	440.063785	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+NH4+CF3COOH"	132.026685
"1649857"	445.01918	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+Na+CF3COOH"	136.98208
"1585732"	460.99312	"C14250"	"pp-Methoxychlor olefin;11-Dichloro-22-bis(p-methoxyphenyl)ethylene;11-Bis(p-methoxyphenyl)-22-dichloroethylene"	"C16H14Cl2O2"	"308.0371"	"M+K+CF3COOH"	152.95602
"813915"	286.1209	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M"	0
"983077"	267.10251	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-H2O-H"	-19.01839
"72413"	189.739990666667	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M-3H"	-3.021828
"505412"	285.113624	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M-3H"	-3.021828
"884308"	94.3663573333333	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-3H"	-3.021828
"1788"	285.113624	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M-2H"	-2.014552
"442440"	428.174074	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M-2H"	-2.014552
"820243"	142.053174	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-2H"	-2.014552
"80964"	571.234524	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M-H"	-1.007276
"523077"	857.355424	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M-H"	-1.007276
"898694"	285.113624	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-H"	-1.007276
"50152"	588.261071	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M-2H+NH4"	16.019271
"495910"	874.381971	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M-2H+NH4"	16.019271
"874806"	302.140171	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-2H+NH4"	16.019271
"40520"	593.216466	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M-2H+Na"	20.974666
"476801"	879.337366	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M-2H+Na"	20.974666
"850227"	307.095566	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-2H+Na"	20.974666
"1619392"	307.095566	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Na-2H"	20.974666
"96291"	303.101963	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M-H+Cl"	33.962126
"542417"	446.162413	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M-H+Cl"	33.962126
"935933"	160.041513	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-H+Cl"	33.962126
"272307"	607.211202	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+Cl"	34.969402
"669103"	893.332102	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+Cl"	34.969402
"1279318"	321.090302	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Cl"	34.969402
"21147"	609.190406	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M-2H+K"	36.948606
"460709"	895.311306	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M-2H+K"	36.948606
"840334"	323.069506	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-2H+K"	36.948606
"1559081"	323.069506	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+K-2H"	36.948606
"953893"	331.119094	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-H+HCOOH"	44.998194
"367733"	617.240001	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+HCOOH-H"	44.998201
"349430"	631.255651	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+Hac-H"	59.013851
"1497168"	345.134751	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Hac-H"	59.013851
"965804"	353.101051	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-H+NaCOOH"	66.980151
"117994"	321.090302	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+2Cl"	69.938804
"555368"	464.150752	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+2Cl"	69.938804
"1024529"	178.029852	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2Cl"	69.938804
"1241589"	365.039785	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Br"	78.918885
"1305584"	367.095772	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Cl+HCOOH"	80.974872
"1331345"	389.077729	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Cl+NaCOOH"	102.956829
"918030"	399.106486	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M-H+CF3COOH"	112.985586
"1293644"	435.083164	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Cl+CF3COOH"	148.962264
"1372898"	251.108224	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H-2H2O"	-35.012676
"1392949"	269.1182	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H-H2O"	-17.0027
"291177"	573.249076	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+H"	1.007276
"681413"	859.369976	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+H"	1.007276
"1354482"	287.128176	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H"	1.007276
"137215"	287.128176	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+2H"	2.014552
"574588"	430.188626	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+2H"	2.014552
"1041199"	144.067726	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2H"	2.014552
"205820"	191.754542666667	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+3H"	3.021828
"644770"	287.128176	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+3H"	3.021828
"1163259"	96.3809093333333	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+3H"	3.021828
"426777"	590.275623	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+NH4"	18.033823
"786190"	876.396523	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+NH4"	18.033823
"1681793"	304.154723	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+NH4"	18.033823
"334569"	295.6414495	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+H+NH4"	19.041099
"726989"	438.7018995	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+H+NH4"	19.041099
"1480809"	152.5809995	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H+NH4"	19.041099
"395115"	595.231018	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+Na"	22.989218
"760484"	881.351918	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+Na"	22.989218
"1604333"	309.110118	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Na"	22.989218
"319715"	298.119147	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+H+Na"	23.996494
"709949"	441.179597	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+H+Na"	23.996494
"1461779"	155.058697	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H+Na"	23.996494
"1054102"	103.708223333333	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2H+Na"	25.00377
"1258697"	319.154386	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+CH3OH+H"	33.033486
"379452"	611.204958	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+K"	38.963158
"739720"	897.325858	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+K"	38.963158
"1553452"	325.084058	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+K"	38.963158
"306250"	306.106117	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+H+K"	39.970434
"696486"	449.166567	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+H+K"	39.970434
"1445933"	163.045667	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H+K"	39.970434
"236598"	614.275626	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+ACN+H"	42.033826
"1213802"	328.154726	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+ACN+H"	42.033826
"1195501"	164.581001	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+ACN+2H"	43.041102
"200772"	617.21296	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+2Na-H"	44.97116
"642161"	903.33386	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+2Na-H"	44.97116
"1144204"	331.09206	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2Na-H"	44.97116
"185672"	309.110118	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+2Na"	45.978436
"625965"	452.170568	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+2Na"	45.978436
"1130568"	166.049668	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2Na"	45.978436
"1413484"	111.035537333333	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H+2Na"	46.985712
"1440008"	333.133646	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H+HCOOH"	47.012746
"229705"	314.14314	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+3H2O+2H"	56.04448
"1522750"	347.18569	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+IsoProp+H"	61.06479
"419641"	317.097088	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+Na+K"	61.952376
"780636"	460.157538	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+Na+K"	61.952376
"1675871"	174.036638	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Na+K"	61.952376
"263485"	636.257568	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+ACN+Na"	64.015768
"1233641"	350.136668	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+ACN+Na"	64.015768
"1718519"	350.160193	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+NH4+HCOOH"	64.039293
"1183871"	118.362851333333	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+3Na"	68.967654
"1660330"	355.115588	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Na+HCOOH"	68.994688
"165003"	649.16084	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+2K-H"	76.91904
"608940"	935.28174	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+2K-H"	76.91904
"1094546"	363.03994	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2K-H"	76.91904
"153549"	325.084058	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"2M+2K"	77.926316
"595296"	468.144508	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"3M+2K"	77.926316
"1072155"	182.023608	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2K"	77.926316
"1105365"	365.054492	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2K+H"	78.933592
"1339564"	365.142107	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+DMSO+H"	79.021207
"1009186"	369.181276	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2ACN+H"	83.060376
"1526217"	370.174908	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+IsoProp+Na+H"	84.054008
"992664"	185.094276	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+2ACN+2H"	84.067652
"1592639"	371.089528	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+K+HCOOH"	84.968628
"1420486"	401.121038	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+H+CF3COOH"	115.000138
"1156242"	205.607551	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+3ACN+2H"	125.094202
"1704700"	418.147585	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+NH4+CF3COOH"	132.026685
"1648005"	423.10298	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+Na+CF3COOH"	136.98208
"1585842"	439.07692	"C14251"	"13-Diphenyltetramethyldisiloxane;1133-Tetramethyl-13-diphenyldisiloxane"	"C16H22OSi2"	"286.1209"	"M+K+CF3COOH"	152.95602
"814025"	314.1522	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M"	0
"981001"	295.13381	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-H2O-H"	-19.01839
"71430"	208.427524	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M-3H"	-3.021828
"503376"	313.144924	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M-3H"	-3.021828
"882232"	103.710124	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-3H"	-3.021828
"193"	313.144924	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M-2H"	-2.014552
"440154"	470.221024	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M-2H"	-2.014552
"817477"	156.068824	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-2H"	-2.014552
"78797"	627.297124	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M-H"	-1.007276
"519299"	941.449324	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M-H"	-1.007276
"897710"	313.144924	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-H"	-1.007276
"49898"	644.323671	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M-2H+NH4"	16.019271
"492741"	958.475871	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M-2H+NH4"	16.019271
"871636"	330.171471	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-2H+NH4"	16.019271
"40631"	649.279066	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M-2H+Na"	20.974666
"476912"	963.431266	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M-2H+Na"	20.974666
"849608"	335.126866	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-2H+Na"	20.974666
"1622056"	335.126866	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Na-2H"	20.974666
"95308"	331.133263	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M-H+Cl"	33.962126
"539247"	488.209363	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M-H+Cl"	33.962126
"932762"	174.057163	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-H+Cl"	33.962126
"270593"	663.273802	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+Cl"	34.969402
"665932"	977.426002	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+Cl"	34.969402
"1272856"	349.121602	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Cl"	34.969402
"20892"	665.253006	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M-2H+K"	36.948606
"455872"	979.405206	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M-2H+K"	36.948606
"835702"	351.100806	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-2H+K"	36.948606
"1555732"	351.100806	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+K-2H"	36.948606
"942911"	359.150394	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-H+HCOOH"	44.998194
"373311"	673.302601	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+HCOOH-H"	44.998201
"348810"	687.318251	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+Hac-H"	59.013851
"1497278"	373.166051	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Hac-H"	59.013851
"965914"	381.132351	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-H+NaCOOH"	66.980151
"118105"	349.121602	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+2Cl"	69.938804
"555478"	506.197702	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+2Cl"	69.938804
"1024639"	192.045502	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2Cl"	69.938804
"1241414"	393.071085	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Br"	78.918885
"1305573"	395.127072	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Cl+HCOOH"	80.974872
"1331455"	417.109029	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Cl+NaCOOH"	102.956829
"918140"	427.137786	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M-H+CF3COOH"	112.985586
"1292661"	463.114464	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Cl+CF3COOH"	148.962264
"1369363"	279.139524	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H-2H2O"	-35.012676
"1393787"	297.1495	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H-H2O"	-17.0027
"291287"	629.311676	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+H"	1.007276
"684075"	943.463876	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+H"	1.007276
"1357872"	315.159476	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H"	1.007276
"137325"	315.159476	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+2H"	2.014552
"574698"	472.235576	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+2H"	2.014552
"1041309"	158.083376	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2H"	2.014552
"205930"	210.442076	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+3H"	3.021828
"644999"	315.159476	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+3H"	3.021828
"1163246"	105.724676	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+3H"	3.021828
"425063"	646.338223	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+NH4"	18.033823
"786099"	960.490423	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+NH4"	18.033823
"1682389"	332.186023	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+NH4"	18.033823
"333586"	323.6727495	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+H+NH4"	19.041099
"726006"	480.7488495	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+H+NH4"	19.041099
"1482011"	166.5966495	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H+NH4"	19.041099
"397412"	651.293618	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+Na"	22.989218
"760595"	965.445818	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+Na"	22.989218
"1604443"	337.141418	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Na"	22.989218
"319825"	326.150447	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+H+Na"	23.996494
"711152"	483.226547	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+H+Na"	23.996494
"1463025"	169.074347	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H+Na"	23.996494
"1053848"	113.05199	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2H+Na"	25.00377
"1258807"	347.185686	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+CH3OH+H"	33.033486
"380655"	667.267558	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+K"	38.963158
"741652"	981.419758	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+K"	38.963158
"1548093"	353.115358	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+K"	38.963158
"300891"	334.137417	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+H+K"	39.970434
"692949"	491.213517	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+H+K"	39.970434
"1446407"	177.061317	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H+K"	39.970434
"235772"	670.338226	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+ACN+H"	42.033826
"1210184"	356.186026	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+ACN+H"	42.033826
"1198888"	178.596651	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+ACN+2H"	43.041102
"190668"	673.27556	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+2Na-H"	44.97116
"632419"	987.42776	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+2Na-H"	44.97116
"1138115"	359.12336	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2Na-H"	44.97116
"184323"	337.141418	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+2Na"	45.978436
"626074"	494.217518	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+2Na"	45.978436
"1128489"	180.065318	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2Na"	45.978436
"1412376"	120.379304	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H+2Na"	46.985712
"1439025"	361.164946	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H+HCOOH"	47.012746
"229815"	342.17444	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+3H2O+2H"	56.04448
"1521157"	375.21699	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+IsoProp+H"	61.06479
"415378"	345.128388	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+Na+K"	61.952376
"777466"	502.204488	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+Na+K"	61.952376
"1674888"	188.052288	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Na+K"	61.952376
"261407"	692.320168	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+ACN+Na"	64.015768
"1234115"	378.167968	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+ACN+Na"	64.015768
"1718628"	378.191493	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+NH4+HCOOH"	64.039293
"1183982"	127.706618	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+3Na"	68.967654
"1652056"	383.146888	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Na+HCOOH"	68.994688
"161833"	705.22344	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+2K-H"	76.91904
"601393"	1019.37564	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+2K-H"	76.91904
"1090279"	391.07124	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2K-H"	76.91904
"149285"	353.115358	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"2M+2K"	77.926316
"586658"	510.191458	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"3M+2K"	77.926316
"1072265"	196.039258	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2K"	77.926316
"1101102"	393.085792	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2K+H"	78.933592
"1338581"	393.173407	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+DMSO+H"	79.021207
"1007109"	397.212576	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2ACN+H"	83.060376
"1525232"	398.206208	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+IsoProp+Na+H"	84.054008
"990710"	199.109926	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+2ACN+2H"	84.067652
"1590562"	399.120828	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+K+HCOOH"	84.968628
"1420596"	429.152338	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+H+CF3COOH"	115.000138
"1154165"	219.623201	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+3ACN+2H"	125.094202
"1704810"	446.178885	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+NH4+CF3COOH"	132.026685
"1648115"	451.13428	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+Na+CF3COOH"	136.98208
"1585952"	467.10822	"C14252"	"13-Dibenzyltetramethyldisiloxane"	"C18H26OSi2"	"314.1522"	"M+K+CF3COOH"	152.95602
"815598"	258.1831	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M"	0
"986214"	239.16471	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-H2O-H"	-19.01839
"76642"	171.114790666667	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M-3H"	-3.021828
"515477"	257.175824	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M-3H"	-3.021828
"882344"	85.0537573333333	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-3H"	-3.021828
"2012"	257.175824	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M-2H"	-2.014552
"448135"	386.267374	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M-2H"	-2.014552
"821562"	128.084274	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-2H"	-2.014552
"84835"	515.358924	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M-H"	-1.007276
"522208"	773.542024	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M-H"	-1.007276
"901103"	257.175824	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-H"	-1.007276
"51104"	532.385471	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M-2H+NH4"	16.019271
"495038"	790.568571	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M-2H+NH4"	16.019271
"869559"	274.202371	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-2H+NH4"	16.019271
"42564"	537.340866	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M-2H+Na"	20.974666
"482126"	795.523966	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M-2H+Na"	20.974666
"857011"	279.157766	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-2H+Na"	20.974666
"1623262"	279.157766	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Na-2H"	20.974666
"96512"	275.164163	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M-H+Cl"	33.962126
"542637"	404.255713	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M-H+Cl"	33.962126
"935059"	146.072613	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-H+Cl"	33.962126
"268151"	551.335602	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+Cl"	34.969402
"661056"	809.518702	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+Cl"	34.969402
"1272769"	293.152502	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Cl"	34.969402
"18086"	553.314806	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M-2H+K"	36.948606
"456307"	811.497906	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M-2H+K"	36.948606
"833989"	295.131706	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-2H+K"	36.948606
"1555724"	295.131706	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+K-2H"	36.948606
"943900"	303.181294	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-H+HCOOH"	44.998194
"366860"	561.364401	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+HCOOH-H"	44.998201
"349650"	575.380051	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+Hac-H"	59.013851
"1494105"	317.196951	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Hac-H"	59.013851
"967117"	325.163251	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-H+NaCOOH"	66.980151
"119308"	293.152502	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+2Cl"	69.938804
"553402"	422.244052	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+2Cl"	69.938804
"1024020"	164.060952	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2Cl"	69.938804
"1241449"	337.101985	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Br"	78.918885
"1306776"	339.157972	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Cl+HCOOH"	80.974872
"1328286"	361.139929	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Cl+NaCOOH"	102.956829
"916064"	371.168686	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M-H+CF3COOH"	112.985586
"1291678"	407.145364	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Cl+CF3COOH"	148.962264
"1367650"	223.170424	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H-2H2O"	-35.012676
"1393897"	241.1804	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H-H2O"	-17.0027
"291397"	517.373476	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+H"	1.007276
"684913"	775.556576	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+H"	1.007276
"1354702"	259.190376	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H"	1.007276
"137435"	259.190376	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+2H"	2.014552
"571527"	388.281926	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+2H"	2.014552
"1040326"	130.098826	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2H"	2.014552
"204318"	173.129342666667	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+3H"	3.021828
"644461"	259.190376	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+3H"	3.021828
"1164816"	87.0683093333333	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+3H"	3.021828
"425295"	534.400023	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+NH4"	18.033823
"787991"	792.583123	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+NH4"	18.033823
"1683229"	276.216923	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+NH4"	18.033823
"331630"	267.7036495	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+H+NH4"	19.041099
"724292"	396.7951995	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+H+NH4"	19.041099
"1482121"	138.6120995	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H+NH4"	19.041099
"396430"	539.355418	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+Na"	22.989218
"759611"	797.538518	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+Na"	22.989218
"1608806"	281.172318	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Na"	22.989218
"319935"	270.181347	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+H+Na"	23.996494
"713449"	399.272897	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+H+Na"	23.996494
"1462043"	141.089797	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H+Na"	23.996494
"1055050"	94.3956233333333	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2H+Na"	25.00377
"1266573"	291.216586	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+CH3OH+H"	33.033486
"380774"	555.329358	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+K"	38.963158
"740309"	813.512458	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+K"	38.963158
"1547111"	297.146258	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+K"	38.963158
"304286"	278.168317	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+H+K"	39.970434
"694521"	407.259867	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+H+K"	39.970434
"1448343"	149.076767	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H+K"	39.970434
"237307"	558.400026	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+ACN+H"	42.033826
"1210380"	300.216926	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+ACN+H"	42.033826
"1196449"	150.612101	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+ACN+2H"	43.041102
"189688"	561.33736	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+2Na-H"	44.97116
"634716"	819.52046	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+2Na-H"	44.97116
"1136032"	303.15426	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2Na-H"	44.97116
"187235"	281.172318	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+2Na"	45.978436
"628386"	410.263868	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+2Na"	45.978436
"1131122"	152.080768	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2Na"	45.978436
"1413584"	101.722937333333	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H+2Na"	46.985712
"1442781"	305.195846	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H+HCOOH"	47.012746
"234301"	286.20534	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+3H2O+2H"	56.04448
"1521999"	319.24789	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+IsoProp+H"	61.06479
"420954"	289.159288	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+Na+K"	61.952376
"783774"	418.250838	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+Na+K"	61.952376
"1671719"	160.067738	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Na+K"	61.952376
"264800"	580.381968	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+ACN+Na"	64.015768
"1236777"	322.198868	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+ACN+Na"	64.015768
"1719833"	322.222393	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+NH4+HCOOH"	64.039293
"1185187"	109.050251333333	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+3Na"	68.967654
"1655082"	327.177788	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Na+HCOOH"	68.994688
"163036"	593.28524	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+2K-H"	76.91904
"611711"	851.46834	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+2K-H"	76.91904
"1098044"	335.10214	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2K-H"	76.91904
"152676"	297.146258	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"2M+2K"	77.926316
"593329"	426.237808	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"3M+2K"	77.926316
"1080030"	168.054708	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2K"	77.926316
"1108868"	337.116692	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2K+H"	78.933592
"1344158"	337.204307	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+DMSO+H"	79.021207
"1008313"	341.243476	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2ACN+H"	83.060376
"1527532"	342.237108	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+IsoProp+Na+H"	84.054008
"992886"	171.125376	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+2ACN+2H"	84.067652
"1590672"	343.151728	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+K+HCOOH"	84.968628
"1417425"	373.183238	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+H+CF3COOH"	115.000138
"1154276"	191.638651	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+3ACN+2H"	125.094202
"1704920"	390.209785	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+NH4+CF3COOH"	132.026685
"1648225"	395.16518	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+Na+CF3COOH"	136.98208
"1586062"	411.13912	"C14253"	"Dibutyl adipate;Di-n-butyl adipate"	"C14H26O4"	"258.1831"	"M+K+CF3COOH"	152.95602
"815338"	276.2453	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M"	0
"984500"	257.22691	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-H2O-H"	-19.01839
"76023"	183.156257333333	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M-3H"	-3.021828
"510119"	275.238024	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M-3H"	-3.021828
"887921"	91.0744906666666	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-3H"	-3.021828
"6496"	275.238024	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M-2H"	-2.014552
"448245"	413.360674	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M-2H"	-2.014552
"824953"	137.115374	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-2H"	-2.014552
"87131"	551.483324	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M-H"	-1.007276
"525598"	827.728624	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M-H"	-1.007276
"901213"	275.238024	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-H"	-1.007276
"52307"	568.509871	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M-2H+NH4"	16.019271
"494055"	844.755171	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M-2H+NH4"	16.019271
"870762"	292.264571	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-2H+NH4"	16.019271
"43038"	573.465266	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M-2H+Na"	20.974666
"482600"	849.710566	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M-2H+Na"	20.974666
"860402"	297.219966	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-2H+Na"	20.974666
"1623372"	297.219966	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Na-2H"	20.974666
"96622"	293.226363	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M-H+Cl"	33.962126
"539467"	431.349013	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M-H+Cl"	33.962126
"930066"	155.103713	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-H+Cl"	33.962126
"272638"	587.460002	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+Cl"	34.969402
"662142"	863.705302	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+Cl"	34.969402
"1273448"	311.214702	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Cl"	34.969402
"18196"	589.439206	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M-2H+K"	36.948606
"456174"	865.684506	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M-2H+K"	36.948606
"834463"	313.193906	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-2H+K"	36.948606
"1556364"	313.193906	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+K-2H"	36.948606
"944010"	321.243494	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-H+HCOOH"	44.998194
"366971"	597.488801	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+HCOOH-H"	44.998201
"349760"	611.504451	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+Hac-H"	59.013851
"1493360"	335.259151	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Hac-H"	59.013851
"963949"	343.225451	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-H+NaCOOH"	66.980151
"116137"	311.214702	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+2Cl"	69.938804
"550589"	449.337352	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+2Cl"	69.938804
"1022062"	173.092052	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2Cl"	69.938804
"1241511"	355.164185	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Br"	78.918885
"1306886"	357.220172	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Cl+HCOOH"	80.974872
"1325116"	379.202129	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Cl+NaCOOH"	102.956829
"915080"	389.230886	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M-H+CF3COOH"	112.985586
"1293976"	425.207564	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Cl+CF3COOH"	148.962264
"1367760"	241.232624	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H-2H2O"	-35.012676
"1390727"	259.2426	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H-H2O"	-17.0027
"288227"	553.497876	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+H"	1.007276
"685024"	829.743176	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+H"	1.007276
"1358093"	277.252576	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H"	1.007276
"137545"	277.252576	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+2H"	2.014552
"572733"	415.375226	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+2H"	2.014552
"1039343"	139.129926	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2H"	2.014552
"206149"	185.170809333333	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+3H"	3.021828
"646803"	277.252576	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+3H"	3.021828
"1166024"	93.0890426666667	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+3H"	3.021828
"427107"	570.524423	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+NH4"	18.033823
"788103"	846.769723	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+NH4"	18.033823
"1683340"	294.279123	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+NH4"	18.033823
"335989"	285.7658495	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+H+NH4"	19.041099
"729508"	423.8884995	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+H+NH4"	19.041099
"1477617"	147.6431995	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H+NH4"	19.041099
"395447"	575.479818	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+Na"	22.989218
"757535"	851.725118	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+Na"	22.989218
"1608917"	299.234518	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Na"	22.989218
"318952"	288.243547	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+H+Na"	23.996494
"712466"	426.366197	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+H+Na"	23.996494
"1464097"	150.120897	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H+Na"	23.996494
"1055160"	100.416356666667	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2H+Na"	25.00377
"1266683"	309.278786	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+CH3OH+H"	33.033486
"380884"	591.453758	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+K"	38.963158
"741512"	867.699058	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+K"	38.963158
"1551595"	315.208458	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+K"	38.963158
"309863"	296.230517	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+H+K"	39.970434
"697911"	434.353167	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+H+K"	39.970434
"1451732"	158.107867	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H+K"	39.970434
"236689"	594.524426	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+ACN+H"	42.033826
"1211949"	318.279126	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+ACN+H"	42.033826
"1199111"	159.643201	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+ACN+2H"	43.041102
"190891"	597.46176	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+2Na-H"	44.97116
"634828"	873.70706	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+2Na-H"	44.97116
"1137236"	321.21646	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2Na-H"	44.97116
"186494"	299.234518	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+2Na"	45.978436
"628371"	437.357168	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+2Na"	45.978436
"1130785"	161.111868	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2Na"	45.978436
"1413457"	107.743670666667	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H+2Na"	46.985712
"1444838"	323.258046	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H+HCOOH"	47.012746
"232952"	304.26754	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+3H2O+2H"	56.04448
"1522109"	337.31009	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+IsoProp+H"	61.06479
"422887"	307.221488	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+Na+K"	61.952376
"783884"	445.344138	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+Na+K"	61.952376
"1675109"	169.098838	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Na+K"	61.952376
"265639"	616.506368	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+ACN+Na"	64.015768
"1236523"	340.261068	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+ACN+Na"	64.015768
"1718849"	340.284593	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+NH4+HCOOH"	64.039293
"1186390"	115.070984666667	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+3Na"	68.967654
"1655192"	345.239988	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Na+HCOOH"	68.994688
"163146"	629.40964	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+2K-H"	76.91904
"609268"	905.65494	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+2K-H"	76.91904
"1098154"	353.16434	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2K-H"	76.91904
"152786"	315.208458	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"2M+2K"	77.926316
"585785"	453.331108	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"3M+2K"	77.926316
"1077953"	177.085808	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2K"	77.926316
"1110071"	355.178892	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2K+H"	78.933592
"1344268"	355.266507	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+DMSO+H"	79.021207
"1007693"	359.305676	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2ACN+H"	83.060376
"1529829"	360.299308	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+IsoProp+Na+H"	84.054008
"991903"	180.156476	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+2ACN+2H"	84.067652
"1590782"	361.213928	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+K+HCOOH"	84.968628
"1417535"	391.245438	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+H+CF3COOH"	115.000138
"1154386"	200.669751	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+3ACN+2H"	125.094202
"1705030"	408.271985	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+NH4+CF3COOH"	132.026685
"1646149"	413.22738	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+Na+CF3COOH"	136.98208
"1586172"	429.20132	"C14254"	"5alpha-Androstan-17beta-ol;Androstan-17-ol"	"C19H32O"	"276.2453"	"M+K+CF3COOH"	152.95602
"815814"	302.2246	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M"	0
"984610"	283.20621	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"69571"	200.475790666667	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"510229"	301.217324	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"884751"	99.7342573333333	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"5513"	301.217324	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"448354"	452.329624	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"827249"	150.105024	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"87241"	603.441924	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"525708"	905.666524	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"901323"	301.217324	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"52417"	620.468471	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"495258"	922.693071	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"871965"	318.243871	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"43148"	625.423866	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"485627"	927.648466	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"862699"	323.199266	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1624575"	323.199266	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"102199"	319.205663	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"540671"	470.317963	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"933092"	168.093363	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"272748"	639.418602	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"664076"	941.643202	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1275747"	337.194002	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"18306"	641.397806	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"456527"	943.622406	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"834937"	339.173206	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1556354"	339.173206	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"947039"	347.222794	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"364894"	649.447401	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"351693"	663.463051	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1494324"	361.238451	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"966246"	369.204751	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"116247"	337.194002	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"550942"	488.306302	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1022656"	186.081702	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1241747"	381.143485	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1311008"	383.199472	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1328506"	405.181429	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"914825"	415.210186	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1294086"	451.186864	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1367506"	267.211924	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1390837"	285.2219	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"288338"	605.456476	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"687321"	907.681076	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1358203"	303.231876	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"137655"	303.231876	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"576124"	454.344176	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1043827"	152.119576	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"209541"	202.490342666667	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"648007"	303.231876	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1163947"	101.748809333333	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"428309"	622.483023	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"788213"	924.707623	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1686728"	320.258423	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"333914"	311.7451495	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"725244"	462.8574495	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1479428"	160.6328495	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"396650"	627.438418	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"758738"	929.663018	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1607932"	325.213818	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"320155"	314.222847	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"709296"	465.335147	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1466393"	163.110547	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1055268"	109.076123333333	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1266793"	335.258086	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"382085"	643.412358	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"746359"	945.636958	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1552799"	341.187758	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"309973"	322.209817	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"700208"	473.322117	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1454029"	171.097517	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"238256"	646.483026	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1213152"	344.258426	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1201408"	172.632851	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"195373"	649.42036	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"636032"	951.64496	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1140625"	347.19576	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"187332"	325.213818	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"627023"	476.326118	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1130651"	174.101518	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1413439"	116.403437333333	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1445192"	349.237346	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"233913"	330.24684	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1521854"	363.28939	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"420812"	333.200788	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"782899"	484.313088	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1674127"	182.088488	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"262469"	668.464968	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1234445"	366.240368	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1716773"	366.263893	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1185407"	123.730751333333	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1653115"	371.219288	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"159001"	681.36824	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"609378"	983.59284	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1098264"	379.14364	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"155082"	341.187758	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"592455"	492.300058	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1074783"	190.075458	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1109085"	381.158192	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1344379"	381.245807	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1007440"	385.284976	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1531032"	386.278608	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"995293"	193.146126	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1590892"	387.193228	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1417645"	417.224738	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1155589"	213.659401	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1705140"	434.251285	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1649539"	439.20668	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1586282"	455.18062	"C14255"	"Mibolerone;17-beta-Hydroxy-7-alpha17-dimethylestr-4-en-3-one"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"815558"	302.1882	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M"	0
"984720"	283.16981	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"69681"	200.451524	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"515807"	301.180924	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"884862"	99.722124	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"4529"	301.180924	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"446277"	452.275024	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"826265"	150.086824	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"88445"	603.369124	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"526912"	905.557324	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"904713"	301.180924	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"55807"	620.395671	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"496461"	922.583871	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"870982"	318.207471	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"45444"	625.351066	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"483914"	927.539266	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"862444"	323.162866	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1623592"	323.162866	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"96109"	319.169263	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"539687"	470.263363	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"936482"	168.075163	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"272858"	639.345802	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"666373"	941.534002	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1275128"	337.157602	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"19508"	641.325006	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"457366"	943.513206	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"834681"	339.136806	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1559996"	339.136806	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"943866"	347.186394	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"363909"	649.374601	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"352167"	663.390251	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1499905"	361.202051	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"961250"	369.168351	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"115261"	337.157602	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"554825"	488.251702	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1023984"	186.063502	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1243564"	381.107085	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1313305"	383.163072	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1328616"	405.145029	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"914207"	415.173786	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1295289"	451.150464	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1368343"	267.175524	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1387667"	285.1855	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"285289"	605.383676	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"685243"	907.571876	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1360500"	303.195476	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"137765"	303.195476	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"579514"	454.289576	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1046127"	152.101376	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"209652"	202.466076	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"647022"	303.195476	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1165149"	101.736676	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"428419"	622.410223	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"790508"	924.598423	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1686838"	320.222023	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"335117"	311.7087495	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"726446"	462.8028495	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1480267"	160.6146495	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"394815"	627.365618	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"758848"	929.553818	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1606949"	325.177418	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"316256"	314.186447	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"709038"	465.280547	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1463345"	163.092347	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1053188"	109.06399	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1260335"	335.221686	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"385475"	643.339558	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"746469"	945.527758	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1552545"	341.151358	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"306803"	322.173417	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"698132"	473.267517	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1454139"	171.079317	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"237639"	646.410226	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1214355"	344.222026	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1202611"	172.614651	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"196577"	649.34756	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"633955"	951.53576	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1138549"	347.15936	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"186222"	325.177418	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"627854"	476.271518	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1130388"	174.083318	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1410265"	116.391304	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1440558"	349.200946	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"230619"	330.21044	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1522692"	363.25299	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"422379"	333.164388	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"783739"	484.258488	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1678609"	182.070288	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"264034"	668.392168	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1232368"	366.203968	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1717977"	366.227493	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1185517"	123.718618	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1655411"	371.182888	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"160084"	681.29544	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"609488"	983.48364	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1098374"	379.10724	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"154097"	341.151358	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"594750"	492.245458	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1081453"	190.057258	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1111384"	381.121792	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1344490"	381.209407	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1010830"	385.248576	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1535516"	386.242208	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"995403"	193.127926	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1594282"	387.156828	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1419942"	417.188338	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1158979"	213.641201	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1706344"	434.214885	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1648557"	439.17028	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1586392"	455.14422	"C14256"	"11-Keto-testosterone;17beta-Hydroxyandrost-4-ene-311-dione"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"815668"	284.1776	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M"	0
"983736"	265.15921	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-H2O-H"	-19.01839
"69791"	188.444457333333	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M-3H"	-3.021828
"510449"	283.170324	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M-3H"	-3.021828
"888250"	93.7185906666667	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-3H"	-3.021828
"3545"	283.170324	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M-2H"	-2.014552
"446385"	425.259124	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M-2H"	-2.014552
"824188"	141.081524	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-2H"	-2.014552
"84179"	567.347924	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M-H"	-1.007276
"521553"	851.525524	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M-H"	-1.007276
"904822"	283.170324	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-H"	-1.007276
"57010"	584.374471	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M-2H+NH4"	16.019271
"497664"	868.552071	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M-2H+NH4"	16.019271
"869998"	300.196871	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-2H+NH4"	16.019271
"44826"	589.329866	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M-2H+Na"	20.974666
"485481"	873.507466	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M-2H+Na"	20.974666
"862554"	305.152266	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-2H+Na"	20.974666
"1623702"	305.152266	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Na-2H"	20.974666
"97314"	301.158663	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M-H+Cl"	33.962126
"539796"	443.247463	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M-H+Cl"	33.962126
"934405"	159.069863	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-H+Cl"	33.962126
"272968"	603.324602	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+Cl"	34.969402
"663203"	887.502202	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+Cl"	34.969402
"1275601"	319.147002	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Cl"	34.969402
"19982"	605.303806	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M-2H+K"	36.948606
"455812"	889.481406	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M-2H+K"	36.948606
"834062"	321.126206	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-2H+K"	36.948606
"1558647"	321.126206	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+K-2H"	36.948606
"943611"	329.175794	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-H+HCOOH"	44.998194
"365113"	613.353401	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+HCOOH-H"	44.998201
"350090"	627.369051	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+Hac-H"	59.013851
"1498922"	343.191451	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Hac-H"	59.013851
"960996"	351.157751	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-H+NaCOOH"	66.980151
"115371"	319.147002	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+2Cl"	69.938804
"553841"	461.235802	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+2Cl"	69.938804
"1024460"	177.058202	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2Cl"	69.938804
"1244038"	363.096485	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Br"	78.918885
"1314508"	365.152472	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Cl+HCOOH"	80.974872
"1329819"	387.134429	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Cl+NaCOOH"	102.956829
"915410"	397.163186	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M-H+CF3COOH"	112.985586
"1295399"	433.139864	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Cl+CF3COOH"	148.962264
"1369185"	249.164924	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H-2H2O"	-35.012676
"1385224"	267.1749	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H-H2O"	-17.0027
"288557"	569.362476	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+H"	1.007276
"683165"	853.540076	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+H"	1.007276
"1355141"	285.184876	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H"	1.007276
"134593"	285.184876	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+2H"	2.014552
"580353"	427.273676	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+2H"	2.014552
"1047330"	143.096076	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2H"	2.014552
"209762"	190.459009333333	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+3H"	3.021828
"649322"	285.184876	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+3H"	3.021828
"1167445"	95.7331426666667	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+3H"	3.021828
"427435"	586.389023	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+NH4"	18.033823
"790618"	870.566623	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+NH4"	18.033823
"1684762"	302.211423	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+NH4"	18.033823
"335228"	293.6981495	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+H+NH4"	19.041099
"726556"	435.7869495	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+H+NH4"	19.041099
"1481470"	151.6093495	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H+NH4"	19.041099
"394683"	591.344418	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+Na"	22.989218
"758958"	875.522018	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+Na"	22.989218
"1607057"	307.166818	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Na"	22.989218
"318552"	296.175847	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+H+Na"	23.996494
"711699"	438.264647	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+H+Na"	23.996494
"1464427"	154.087047	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H+Na"	23.996494
"1053662"	103.060456666667	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2H+Na"	25.00377
"1258624"	317.211086	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+CH3OH+H"	33.033486
"386677"	607.318358	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+K"	38.963158
"744392"	891.495958	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+K"	38.963158
"1553383"	323.140758	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+K"	38.963158
"308006"	304.162817	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+H+K"	39.970434
"697146"	446.251617	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+H+K"	39.970434
"1453153"	162.074017	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H+K"	39.970434
"240664"	610.389026	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+ACN+H"	42.033826
"1215557"	326.211426	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+ACN+H"	42.033826
"1201627"	163.609351	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+ACN+2H"	43.041102
"197780"	613.32636	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+2Na-H"	44.97116
"639892"	897.50396	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+2Na-H"	44.97116
"1132097"	329.14876	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2Na-H"	44.97116
"187305"	307.166818	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+2Na"	45.978436
"628494"	449.255618	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+2Na"	45.978436
"1131335"	165.078018	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2Na"	45.978436
"1407459"	110.387770666667	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H+2Na"	46.985712
"1443221"	331.190346	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H+HCOOH"	47.012746
"227084"	312.19984	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+3H2O+2H"	56.04448
"1520615"	345.24239	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+IsoProp+H"	61.06479
"422488"	315.153788	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+Na+K"	61.952376
"785226"	457.242588	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+Na+K"	61.952376
"1678720"	173.064988	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Na+K"	61.952376
"263416"	632.370968	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+ACN+Na"	64.015768
"1234664"	348.193368	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+ACN+Na"	64.015768
"1718087"	348.216893	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+NH4+HCOOH"	64.039293
"1186721"	117.715084666667	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+3Na"	68.967654
"1655521"	353.172288	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Na+HCOOH"	68.994688
"162380"	645.27424	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+2K-H"	76.91904
"606318"	929.45184	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+2K-H"	76.91904
"1095204"	361.09664	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2K-H"	76.91904
"154207"	323.140758	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"2M+2K"	77.926316
"594739"	465.229558	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"3M+2K"	77.926316
"1083386"	181.051958	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2K"	77.926316
"1112586"	363.111192	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2K+H"	78.933592
"1345690"	363.198807	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+DMSO+H"	79.021207
"1013125"	367.237976	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2ACN+H"	83.060376
"1532345"	368.231608	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+IsoProp+Na+H"	84.054008
"995513"	184.122626	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+2ACN+2H"	84.067652
"1590018"	369.146228	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+K+HCOOH"	84.968628
"1421145"	399.177738	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+H+CF3COOH"	115.000138
"1157996"	204.635901	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+3ACN+2H"	125.094202
"1706454"	416.204285	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+NH4+CF3COOH"	132.026685
"1648667"	421.15968	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+Na+CF3COOH"	136.98208
"1586502"	437.13362	"C14257"	"Methyltrienolone;Metribolone;17-beta-Hydroxy-17-methylestra-4911-trien-3-one"	"C19H24O2"	"284.1776"	"M+K+CF3COOH"	152.95602
"816146"	212.1201	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M"	0
"984940"	193.10171	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-H2O-H"	-19.01839
"73181"	140.406124	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M-3H"	-3.021828
"506184"	211.112824	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M-3H"	-3.021828
"885080"	69.699424	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-3H"	-3.021828
"5842"	211.112824	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M-2H"	-2.014552
"442122"	317.172874	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M-2H"	-2.014552
"821015"	105.052774	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-2H"	-2.014552
"83192"	423.232924	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M-H"	-1.007276
"521663"	635.353024	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M-H"	-1.007276
"899464"	211.112824	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-H"	-1.007276
"48735"	440.259471	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M-2H+NH4"	16.019271
"493401"	652.379571	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M-2H+NH4"	16.019271
"869015"	228.139371	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-2H+NH4"	16.019271
"42384"	445.214866	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M-2H+Na"	20.974666
"482310"	657.334966	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M-2H+Na"	20.974666
"855373"	233.094766	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-2H+Na"	20.974666
"1622719"	233.094766	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Na-2H"	20.974666
"94913"	229.101163	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M-H+Cl"	33.962126
"536621"	335.161213	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M-H+Cl"	33.962126
"933422"	123.041113	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-H+Cl"	33.962126
"276360"	459.209602	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+Cl"	34.969402
"662949"	671.329702	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+Cl"	34.969402
"1274618"	247.089502	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Cl"	34.969402
"17905"	461.188806	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M-2H+K"	36.948606
"456613"	673.308906	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M-2H+K"	36.948606
"834172"	249.068706	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-2H+K"	36.948606
"1555911"	249.068706	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+K-2H"	36.948606
"942984"	257.118294	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-H+HCOOH"	44.998194
"361611"	469.238401	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+HCOOH-H"	44.998201
"350200"	483.254051	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+Hac-H"	59.013851
"1496845"	271.133951	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Hac-H"	59.013851
"961470"	279.100251	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-H+NaCOOH"	66.980151
"115481"	247.089502	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+2Cl"	69.938804
"552858"	353.149552	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+2Cl"	69.938804
"1023844"	141.029452	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2Cl"	69.938804
"1243055"	291.038985	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Br"	78.918885
"1310245"	293.094972	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Cl+HCOOH"	80.974872
"1328836"	315.076929	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Cl+NaCOOH"	102.956829
"914061"	325.105686	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M-H+CF3COOH"	112.985586
"1291136"	361.082364	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Cl+CF3COOH"	148.962264
"1370754"	177.107424	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H-2H2O"	-35.012676
"1384969"	195.1174	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H-H2O"	-17.0027
"286477"	425.247476	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+H"	1.007276
"682182"	637.367576	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+H"	1.007276
"1354158"	213.127376	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H"	1.007276
"134702"	213.127376	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+2H"	2.014552
"575358"	319.187426	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+2H"	2.014552
"1041970"	107.067326	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2H"	2.014552
"205497"	142.420676	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+3H"	3.021828
"648338"	213.127376	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+3H"	3.021828
"1163058"	71.713976	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+3H"	3.021828
"425357"	442.274023	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+NH4"	18.033823
"787811"	654.394123	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+NH4"	18.033823
"1685966"	230.153923	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+NH4"	18.033823
"330965"	221.6406495	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+H+NH4"	19.041099
"725573"	327.7006995	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+H+NH4"	19.041099
"1479394"	115.5805995	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H+NH4"	19.041099
"395887"	447.229418	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+Na"	22.989218
"756881"	659.349518	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+Na"	22.989218
"1606074"	235.109318	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Na"	22.989218
"317569"	224.118347	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+H+Na"	23.996494
"708896"	330.178397	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+H+Na"	23.996494
"1465632"	118.058297	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H+Na"	23.996494
"1055598"	79.04129	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2H+Na"	25.00377
"1260556"	245.153586	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+CH3OH+H"	33.033486
"387881"	463.203358	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+K"	38.963158
"743409"	675.323458	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+K"	38.963158
"1543281"	251.083258	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+K"	38.963158
"303741"	232.105317	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+H+K"	39.970434
"698349"	338.165367	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+H+K"	39.970434
"1451078"	126.045267	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H+K"	39.970434
"238585"	466.274026	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+ACN+H"	42.033826
"1211292"	254.153926	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+ACN+H"	42.033826
"1197363"	127.580601	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+ACN+2H"	43.041102
"196796"	469.21136	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+2Na-H"	44.97116
"640366"	681.33146	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+2Na-H"	44.97116
"1133300"	257.09126	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2Na-H"	44.97116
"182066"	235.109318	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+2Na"	45.978436
"624543"	341.169368	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+2Na"	45.978436
"1120761"	129.049268	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2Na"	45.978436
"1407565"	86.368604	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H+2Na"	46.985712
"1434213"	259.132846	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H+HCOOH"	47.012746
"227190"	240.14234	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+3H2O+2H"	56.04448
"1514158"	273.18489	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+IsoProp+H"	61.06479
"421501"	243.096288	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+Na+K"	61.952376
"774840"	349.156338	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+Na+K"	61.952376
"1672264"	137.036238	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Na+K"	61.952376
"258789"	488.255968	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+ACN+Na"	64.015768
"1232587"	276.135868	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+ACN+Na"	64.015768
"1717103"	276.159393	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+NH4+HCOOH"	64.039293
"1183549"	93.695918	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+3Na"	68.967654
"1654538"	281.114788	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Na+HCOOH"	68.994688
"161396"	501.15924	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+2K-H"	76.91904
"606428"	713.27934	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+2K-H"	76.91904
"1092034"	289.03914	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2K-H"	76.91904
"148850"	251.083258	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"2M+2K"	77.926316
"591690"	357.143308	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"3M+2K"	77.926316
"1080579"	145.023208	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2K"	77.926316
"1107229"	291.053692	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2K+H"	78.933592
"1344707"	291.141307	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+DMSO+H"	79.021207
"1013235"	295.180476	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2ACN+H"	83.060376
"1531361"	296.174108	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+IsoProp+Na+H"	84.054008
"993436"	148.093876	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+2ACN+2H"	84.067652
"1590127"	297.088728	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+K+HCOOH"	84.968628
"1417975"	327.120238	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+H+CF3COOH"	115.000138
"1155919"	168.607151	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+3ACN+2H"	125.094202
"1707657"	344.146785	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+NH4+CF3COOH"	132.026685
"1648777"	349.10218	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+Na+CF3COOH"	136.98208
"1586612"	365.07612	"C14258"	"4-Cumylphenol;p-Cumylphenol;2-Phenyl-2-(4-hydroxyphenyl)propane"	"C15H16O"	"212.1201"	"M+K+CF3COOH"	152.95602
"815888"	394.2508	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M"	0
"985050"	375.23241	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-H2O-H"	-19.01839
"75478"	261.826590666667	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M-3H"	-3.021828
"505200"	393.243524	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M-3H"	-3.021828
"885190"	130.409657333333	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-3H"	-3.021828
"5951"	393.243524	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M-2H"	-2.014552
"443324"	590.368924	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M-2H"	-2.014552
"824403"	196.118124	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-2H"	-2.014552
"83302"	787.494324	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M-H"	-1.007276
"525050"	1181.745124	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M-H"	-1.007276
"902853"	393.243524	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-H"	-1.007276
"51761"	804.520871	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M-2H+NH4"	16.019271
"494604"	1198.771671	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M-2H+NH4"	16.019271
"869125"	410.270071	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-2H+NH4"	16.019271
"43223"	809.476266	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M-2H+Na"	20.974666
"482420"	1203.727066	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M-2H+Na"	20.974666
"852203"	415.225466	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-2H+Na"	20.974666
"1622829"	415.225466	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Na-2H"	20.974666
"96078"	411.231863	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M-H+Cl"	33.962126
"538918"	608.357263	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M-H+Cl"	33.962126
"928300"	214.106463	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-H+Cl"	33.962126
"276470"	823.471002	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+Cl"	34.969402
"665608"	1217.721802	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+Cl"	34.969402
"1276914"	429.220202	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Cl"	34.969402
"17650"	825.450206	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M-2H+K"	36.948606
"459396"	1219.701006	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M-2H+K"	36.948606
"836104"	431.199406	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-2H+K"	36.948606
"1557770"	431.199406	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+K-2H"	36.948606
"945653"	439.248994	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-H+HCOOH"	44.998194
"362127"	833.499801	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+HCOOH-H"	44.998201
"348851"	847.515451	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+Hac-H"	59.013851
"1495860"	453.264651	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Hac-H"	59.013851
"962307"	461.230951	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-H+NaCOOH"	66.980151
"114131"	429.220202	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+2Cl"	69.938804
"551503"	626.345602	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+2Cl"	69.938804
"1023950"	232.094802	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2Cl"	69.938804
"1243528"	473.169685	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Br"	78.918885
"1309261"	475.225672	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Cl+HCOOH"	80.974872
"1327852"	497.207629	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Cl+NaCOOH"	102.956829
"914900"	507.236386	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M-H+CF3COOH"	112.985586
"1291970"	543.213064	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Cl+CF3COOH"	148.962264
"1370861"	359.238124	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H-2H2O"	-35.012676
"1384715"	377.2481	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H-H2O"	-17.0027
"283790"	789.508876	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+H"	1.007276
"679738"	1183.759676	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+H"	1.007276
"1355361"	395.258076	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H"	1.007276
"134812"	395.258076	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+2H"	2.014552
"576561"	592.383476	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+2H"	2.014552
"1042080"	198.132676	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2H"	2.014552
"209979"	263.841142666667	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+3H"	3.021828
"646624"	395.258076	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+3H"	3.021828
"1163285"	132.424209333333	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+3H"	3.021828
"427656"	806.535423	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+NH4"	18.033823
"788650"	1200.786223	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+NH4"	18.033823
"1685347"	412.284623	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+NH4"	18.033823
"334356"	403.7713495	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+H+NH4"	19.041099
"725683"	600.8967495	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+H+NH4"	19.041099
"1479504"	206.6459495	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H+NH4"	19.041099
"396361"	811.490818	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+Na"	22.989218
"755898"	1205.741618	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+Na"	22.989218
"1603630"	417.240018	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Na"	22.989218
"317679"	406.249047	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+H+Na"	23.996494
"709736"	603.374447	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+H+Na"	23.996494
"1465742"	209.123647	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H+Na"	23.996494
"1055708"	139.751523333333	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2H+Na"	25.00377
"1261760"	427.284286	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+CH3OH+H"	33.033486
"383616"	827.464758	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+K"	38.963158
"743519"	1221.715558	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+K"	38.963158
"1543756"	433.213958	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+K"	38.963158
"304945"	414.236017	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+H+K"	39.970434
"698459"	611.361417	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+H+K"	39.970434
"1450094"	217.110617	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H+K"	39.970434
"237601"	830.535426	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+ACN+H"	42.033826
"1211644"	436.284626	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+ACN+H"	42.033826
"1195648"	218.645951	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+ACN+2H"	43.041102
"196906"	833.47276	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+2Na-H"	44.97116
"635372"	1227.72356	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+2Na-H"	44.97116
"1132317"	439.22196	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2Na-H"	44.97116
"185815"	417.240018	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+2Na"	45.978436
"625747"	614.365418	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+2Na"	45.978436
"1120871"	220.114618	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2Na"	45.978436
"1407675"	147.078837333333	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H+2Na"	46.985712
"1433593"	441.263546	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H+HCOOH"	47.012746
"227300"	422.27304	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+3H2O+2H"	56.04448
"1513175"	455.31559	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+IsoProp+H"	61.06479
"422704"	425.226988	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+Na+K"	61.952376
"774950"	622.352388	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+Na+K"	61.952376
"1672374"	228.101588	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Na+K"	61.952376
"259991"	852.517368	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+ACN+Na"	64.015768
"1232697"	458.266568	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+ACN+Na"	64.015768
"1721585"	458.290093	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+NH4+HCOOH"	64.039293
"1186939"	154.406151333333	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+3Na"	68.967654
"1659020"	463.245488	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Na+HCOOH"	68.994688
"163693"	865.42064	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+2K-H"	76.91904
"606537"	1259.67144	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+2K-H"	76.91904
"1095424"	471.16984	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2K-H"	76.91904
"148956"	433.213958	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"2M+2K"	77.926316
"588517"	630.339358	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"3M+2K"	77.926316
"1081056"	236.088558	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2K"	77.926316
"1106248"	473.184392	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2K+H"	78.933592
"1344817"	473.272007	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+DMSO+H"	79.021207
"1016624"	477.311176	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2ACN+H"	83.060376
"1532563"	478.304808	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+IsoProp+Na+H"	84.054008
"997918"	239.159226	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+2ACN+2H"	84.067652
"1594610"	479.219428	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+K+HCOOH"	84.968628
"1423551"	509.250938	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+H+CF3COOH"	115.000138
"1159308"	259.672501	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+3ACN+2H"	125.094202
"1708861"	526.277485	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+NH4+CF3COOH"	132.026685
"1649738"	531.23288	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+Na+CF3COOH"	136.98208
"1586722"	547.20682	"C14259"	"Stanolone benzoate;Dihydrotestosterone benzoate;DHT benzoate"	"C26H34O3"	"394.2508"	"M+K+CF3COOH"	152.95602
"816984"	258.1831	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M"	0
"986253"	239.16471	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-H2O-H"	-19.01839
"74495"	171.114790666667	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M-3H"	-3.021828
"507498"	257.175824	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M-3H"	-3.021828
"885300"	85.0537573333333	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-3H"	-3.021828
"11528"	257.175824	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M-2H"	-2.014552
"445621"	386.267374	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M-2H"	-2.014552
"822329"	128.084274	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-2H"	-2.014552
"84506"	515.358924	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M-H"	-1.007276
"525160"	773.542024	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M-H"	-1.007276
"901870"	257.175824	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-H"	-1.007276
"54056"	532.385471	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M-2H+NH4"	16.019271
"494714"	790.568571	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M-2H+NH4"	16.019271
"869235"	274.202371	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-2H+NH4"	16.019271
"43333"	537.340866	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M-2H+Na"	20.974666
"483259"	795.523966	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M-2H+Na"	20.974666
"852313"	279.157766	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-2H+Na"	20.974666
"1626219"	279.157766	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Na-2H"	20.974666
"97281"	275.164163	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M-H+Cl"	33.962126
"536841"	404.255713	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M-H+Cl"	33.962126
"927272"	146.072613	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-H+Cl"	33.962126
"276580"	551.335602	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+Cl"	34.969402
"666812"	809.518702	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+Cl"	34.969402
"1280306"	293.152502	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Cl"	34.969402
"21040"	553.314806	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M-2H+K"	36.948606
"460600"	811.497906	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M-2H+K"	36.948606
"835120"	295.131706	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-2H+K"	36.948606
"1560067"	295.131706	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+K-2H"	36.948606
"948315"	303.181294	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-H+HCOOH"	44.998194
"362521"	561.364401	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+HCOOH-H"	44.998201
"351513"	575.380051	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+Hac-H"	59.013851
"1496335"	317.196951	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Hac-H"	59.013851
"963512"	325.163251	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-H+NaCOOH"	66.980151
"116793"	293.152502	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+2Cl"	69.938804
"553073"	422.244052	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+2Cl"	69.938804
"1025154"	164.060952	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2Cl"	69.938804
"1244368"	337.101985	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Br"	78.918885
"1305723"	339.157972	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Cl+HCOOH"	80.974872
"1322128"	361.139929	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Cl+NaCOOH"	102.956829
"916104"	371.168686	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M-H+CF3COOH"	112.985586
"1288921"	407.145364	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Cl+CF3COOH"	148.962264
"1369879"	223.170424	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H-2H2O"	-35.012676
"1384461"	241.1804	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H-H2O"	-17.0027
"284872"	517.373476	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+H"	1.007276
"676929"	775.556576	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+H"	1.007276
"1353647"	259.190376	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H"	1.007276
"134922"	259.190376	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+2H"	2.014552
"572295"	388.281926	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+2H"	2.014552
"1044375"	130.098826	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2H"	2.014552
"212276"	173.129342666667	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+3H"	3.021828
"647828"	259.190376	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+3H"	3.021828
"1163887"	87.0683093333333	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+3H"	3.021828
"424846"	534.400023	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+NH4"	18.033823
"785963"	792.583123	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+NH4"	18.033823
"1687280"	276.216923	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+NH4"	18.033823
"334466"	267.7036495	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+H+NH4"	19.041099
"726158"	396.7951995	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+H+NH4"	19.041099
"1481802"	138.6120995	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H+NH4"	19.041099
"396108"	539.355418	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+Na"	22.989218
"757101"	797.538518	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+Na"	22.989218
"1606295"	281.172318	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Na"	22.989218
"317426"	270.181347	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+H+Na"	23.996494
"708752"	399.272897	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+H+Na"	23.996494
"1465853"	141.089797	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H+Na"	23.996494
"1056911"	94.3956233333333	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2H+Na"	25.00377
"1264058"	291.216586	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+CH3OH+H"	33.033486
"383726"	555.329358	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+K"	38.963158
"741443"	813.512458	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+K"	38.963158
"1544595"	297.146258	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+K"	38.963158
"305055"	278.168317	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+H+K"	39.970434
"700756"	407.259867	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+H+K"	39.970434
"1452388"	149.076767	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H+K"	39.970434
"239898"	558.400026	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+ACN+H"	42.033826
"1212607"	300.216926	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+ACN+H"	42.033826
"1196490"	150.612101	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+ACN+2H"	43.041102
"197016"	561.33736	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+2Na-H"	44.97116
"635482"	819.52046	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+2Na-H"	44.97116
"1132548"	303.15426	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2Na-H"	44.97116
"185196"	281.172318	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+2Na"	45.978436
"627315"	410.263868	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+2Na"	45.978436
"1125354"	152.080768	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2Na"	45.978436
"1406692"	101.722937333333	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H+2Na"	46.985712
"1436621"	305.195846	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H+HCOOH"	47.012746
"227410"	286.20534	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+3H2O+2H"	56.04448
"1517658"	319.24789	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+IsoProp+H"	61.06479
"421721"	289.159288	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+Na+K"	61.952376
"779433"	418.250838	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+Na+K"	61.952376
"1679046"	160.067738	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Na+K"	61.952376
"259010"	580.381968	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+ACN+Na"	64.015768
"1231714"	322.198868	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+ACN+Na"	64.015768
"1721695"	322.222393	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+NH4+HCOOH"	64.039293
"1184862"	109.050251333333	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+3Na"	68.967654
"1660224"	327.177788	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Na+HCOOH"	68.994688
"163803"	593.28524	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+2K-H"	76.91904
"608834"	851.46834	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+2K-H"	76.91904
"1095533"	335.10214	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2K-H"	76.91904
"149066"	297.146258	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"2M+2K"	77.926316
"587534"	426.237808	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"3M+2K"	77.926316
"1079710"	168.054708	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2K"	77.926316
"1108543"	337.116692	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2K+H"	78.933592
"1344929"	337.204307	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+DMSO+H"	79.021207
"1014549"	341.243476	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2ACN+H"	83.060376
"1531580"	342.237108	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+IsoProp+Na+H"	84.054008
"994747"	171.125376	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+2ACN+2H"	84.067652
"1593626"	343.151728	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+K+HCOOH"	84.968628
"1421475"	373.183238	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+H+CF3COOH"	115.000138
"1157231"	191.638651	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+3ACN+2H"	125.094202
"1708971"	390.209785	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+NH4+CF3COOH"	132.026685
"1649606"	395.16518	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+Na+CF3COOH"	136.98208
"1586832"	411.13912	"C14260"	"Diisobutyl adipate"	"C14H26O4"	"258.1831"	"M+K+CF3COOH"	152.95602
"816478"	270.162	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M"	0
"989325"	251.14361	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-H2O-H"	-19.01839
"77850"	179.100724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M-3H"	-3.021828
"517935"	269.154724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M-3H"	-3.021828
"888690"	89.046724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-3H"	-3.021828
"12730"	269.154724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M-2H"	-2.014552
"444637"	404.235724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M-2H"	-2.014552
"820253"	134.073724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-2H"	-2.014552
"82430"	539.316724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M-H"	-1.007276
"526364"	809.478724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M-H"	-1.007276
"903073"	269.154724	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-H"	-1.007276
"50887"	556.343271	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M-2H+NH4"	16.019271
"494824"	826.505271	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M-2H+NH4"	16.019271
"868251"	286.181271	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-2H+NH4"	16.019271
"43079"	561.298666	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M-2H+Na"	20.974666
"484827"	831.460666	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M-2H+Na"	20.974666
"852423"	291.136666	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-2H+Na"	20.974666
"1624142"	291.136666	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Na-2H"	20.974666
"97391"	287.143063	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M-H+Cl"	33.962126
"536951"	422.224063	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M-H+Cl"	33.962126
"927261"	152.062063	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-H+Cl"	33.962126
"273401"	575.293402	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+Cl"	34.969402
"668017"	845.455402	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+Cl"	34.969402
"1277865"	305.131402	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Cl"	34.969402
"20058"	577.272606	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M-2H+K"	36.948606
"460347"	847.434606	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M-2H+K"	36.948606
"836323"	307.110606	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-2H+K"	36.948606
"1558721"	307.110606	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+K-2H"	36.948606
"947333"	315.160194	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-H+HCOOH"	44.998194
"363363"	585.322201	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+HCOOH-H"	44.998201
"351623"	599.337851	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+Hac-H"	59.013851
"1499362"	329.175851	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Hac-H"	59.013851
"966539"	337.142151	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-H+NaCOOH"	66.980151
"119091"	305.131402	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+2Cl"	69.938804
"553184"	440.212402	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+2Cl"	69.938804
"1024171"	170.050402	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2Cl"	69.938804
"1243020"	349.080885	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Br"	78.918885
"1305469"	351.136872	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Cl+HCOOH"	80.974872
"1320051"	373.118829	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Cl+NaCOOH"	102.956829
"916214"	383.147586	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M-H+CF3COOH"	112.985586
"1288506"	419.124264	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Cl+CF3COOH"	148.962264
"1368896"	235.149324	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H-2H2O"	-35.012676
"1383477"	253.1593	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H-H2O"	-17.0027
"284253"	541.331276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+H"	1.007276
"676309"	811.493276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+H"	1.007276
"1361047"	271.169276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H"	1.007276
"132845"	271.169276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+2H"	2.014552
"572405"	406.250276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+2H"	2.014552
"1043390"	136.088276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2H"	2.014552
"211292"	181.115276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+3H"	3.021828
"649759"	271.169276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+3H"	3.021828
"1168979"	91.061276	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+3H"	3.021828
"427876"	558.357823	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+NH4"	18.033823
"788143"	828.519823	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+NH4"	18.033823
"1688483"	288.195823	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+NH4"	18.033823
"336762"	279.6825495	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+H+NH4"	19.041099
"727363"	414.7635495	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+H+NH4"	19.041099
"1481184"	144.6015495	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H+NH4"	19.041099
"400592"	563.313218	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+Na"	22.989218
"756482"	833.475218	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+Na"	22.989218
"1606405"	293.151218	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Na"	22.989218
"321911"	282.160247	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+H+Na"	23.996494
"715425"	417.241247	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+H+Na"	23.996494
"1469973"	147.079247	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H+Na"	23.996494
"1061396"	98.38859	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2H+Na"	25.00377
"1266356"	303.195486	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+CH3OH+H"	33.033486
"384930"	579.287158	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+K"	38.963158
"744834"	849.449158	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+K"	38.963158
"1543611"	309.125158	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+K"	38.963158
"306258"	290.147217	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+H+K"	39.970434
"698678"	425.228217	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+H+K"	39.970434
"1454684"	155.066217	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H+K"	39.970434
"242195"	582.357826	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+ACN+H"	42.033826
"1215997"	312.195826	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+ACN+H"	42.033826
"1202067"	156.601551	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+ACN+2H"	43.041102
"196032"	585.29516	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+2Na-H"	44.97116
"635592"	855.45716	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+2Na-H"	44.97116
"1133262"	315.13316	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2Na-H"	44.97116
"179108"	293.151218	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+2Na"	45.978436
"627670"	428.232218	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+2Na"	45.978436
"1130692"	158.070218	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2Na"	45.978436
"1412998"	105.715904	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H+2Na"	46.985712
"1444385"	317.174746	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H+HCOOH"	47.012746
"230800"	298.18424	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+3H2O+2H"	56.04448
"1522507"	331.22679	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+IsoProp+H"	61.06479
"418549"	301.138188	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+Na+K"	61.952376
"782825"	436.219188	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+Na+K"	61.952376
"1680251"	166.057188	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Na+K"	61.952376
"265682"	604.339768	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+ACN+Na"	64.015768
"1232917"	334.177768	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+ACN+Na"	64.015768
"1726179"	334.201293	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+NH4+HCOOH"	64.039293
"1188252"	113.043218	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+3Na"	68.967654
"1662520"	339.156688	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Na+HCOOH"	68.994688
"163913"	617.24304	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+2K-H"	76.91904
"610037"	887.40504	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+2K-H"	76.91904
"1095643"	347.08104	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2K-H"	76.91904
"149177"	309.125158	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"2M+2K"	77.926316
"586551"	444.206158	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"3M+2K"	77.926316
"1078723"	174.044158	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2K"	77.926316
"1111932"	349.095592	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2K+H"	78.933592
"1345040"	349.183207	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+DMSO+H"	79.021207
"1017939"	353.222376	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2ACN+H"	83.060376
"1531690"	354.216008	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+IsoProp+Na+H"	84.054008
"993764"	177.114826	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+2ACN+2H"	84.067652
"1597017"	355.130628	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+K+HCOOH"	84.968628
"1424865"	385.162138	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+H+CF3COOH"	115.000138
"1157341"	197.628101	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+3ACN+2H"	125.094202
"1704706"	402.188685	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+NH4+CF3COOH"	132.026685
"1649849"	407.14408	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+Na+CF3COOH"	136.98208
"1586942"	423.11802	"C14261"	"Trenbolone;17-beta-Hydroxyestra-4911-trien-3-one"	"C18H22O2"	"270.162"	"M+K+CF3COOH"	152.95602
"815491"	209.1052	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M"	0
"986473"	190.08681	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-H2O-H"	-19.01839
"77267"	138.396190666667	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M-3H"	-3.021828
"517191"	208.097924	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M-3H"	-3.021828
"888800"	68.6944573333333	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-3H"	-3.021828
"6280"	208.097924	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M-2H"	-2.014552
"444747"	312.650524	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M-2H"	-2.014552
"821457"	103.545324	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-2H"	-2.014552
"82540"	417.203124	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M-H"	-1.007276
"522101"	626.308324	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M-H"	-1.007276
"900997"	208.097924	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-H"	-1.007276
"50997"	434.229671	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M-2H+NH4"	16.019271
"494934"	643.334871	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M-2H+NH4"	16.019271
"866175"	225.124471	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-2H+NH4"	16.019271
"44283"	439.185066	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M-2H+Na"	20.974666
"484208"	648.290266	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M-2H+Na"	20.974666
"851439"	230.079866	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-2H+Na"	20.974666
"1624252"	230.079866	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Na-2H"	20.974666
"94827"	226.086263	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M-H+Cl"	33.962126
"534244"	330.638863	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M-H+Cl"	33.962126
"927074"	121.533663	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-H+Cl"	33.962126
"272418"	453.179802	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+Cl"	34.969402
"668127"	662.285002	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+Cl"	34.969402
"1277248"	244.074602	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Cl"	34.969402
"20897"	455.159006	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M-2H+K"	36.948606
"460457"	664.264206	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M-2H+K"	36.948606
"834978"	246.053806	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-2H+K"	36.948606
"1556644"	246.053806	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+K-2H"	36.948606
"947443"	254.103394	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-H+HCOOH"	44.998194
"365662"	463.208601	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+HCOOH-H"	44.998201
"352827"	477.224251	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+Hac-H"	59.013851
"1501660"	268.119051	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Hac-H"	59.013851
"967014"	276.085351	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-H+NaCOOH"	66.980151
"123942"	244.074602	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+2Cl"	69.938804
"551473"	348.627202	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+2Cl"	69.938804
"1023189"	139.522002	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2Cl"	69.938804
"1243860"	288.024085	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Br"	78.918885
"1305216"	290.080072	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Cl+HCOOH"	80.974872
"1320162"	312.062029	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Cl+NaCOOH"	102.956829
"915960"	322.090786	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M-H+CF3COOH"	112.985586
"1292669"	358.067464	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Cl+CF3COOH"	148.962264
"1368642"	174.092524	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H-2H2O"	-35.012676
"1382979"	192.1025	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H-H2O"	-17.0027
"283638"	419.217676	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+H"	1.007276
"677150"	628.322876	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+H"	1.007276
"1361157"	210.112476	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H"	1.007276
"138422"	210.112476	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+2H"	2.014552
"572515"	314.665076	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+2H"	2.014552
"1045688"	105.559876	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2H"	2.014552
"214683"	140.410742666667	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+3H"	3.021828
"654243"	210.112476	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+3H"	3.021828
"1170181"	70.7090093333333	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+3H"	3.021828
"431266"	436.244223	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+NH4"	18.033823
"787159"	645.349423	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+NH4"	18.033823
"1689686"	227.139023	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+NH4"	18.033823
"335780"	218.6257495	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+H+NH4"	19.041099
"727109"	323.1783495	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+H+NH4"	19.041099
"1482387"	114.0731495	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H+NH4"	19.041099
"400702"	441.199618	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+Na"	22.989218
"758415"	650.304818	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+Na"	22.989218
"1606149"	232.094418	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Na"	22.989218
"320928"	221.103447	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+H+Na"	23.996494
"713348"	325.656047	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+H+Na"	23.996494
"1469354"	116.550847	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H+Na"	23.996494
"1055310"	78.0363233333333	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2H+Na"	25.00377
"1262091"	242.138686	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+CH3OH+H"	33.033486
"382123"	457.173558	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+K"	38.963158
"742755"	666.278758	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+K"	38.963158
"1541536"	248.068358	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+K"	38.963158
"298567"	229.090417	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+H+K"	39.970434
"693318"	333.643017	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+H+K"	39.970434
"1445702"	124.537817	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H+K"	39.970434
"236104"	460.244226	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+ACN+H"	42.033826
"1211731"	251.139026	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+ACN+H"	42.033826
"1195736"	126.073151	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+ACN+2H"	43.041102
"188806"	463.18156	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+2Na-H"	44.97116
"628691"	672.28676	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+2Na-H"	44.97116
"1131583"	254.07636	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2Na-H"	44.97116
"175207"	232.094418	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+2Na"	45.978436
"625343"	336.647018	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+2Na"	45.978436
"1130192"	127.541818	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2Na"	45.978436
"1413964"	85.3636373333333	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H+2Na"	46.985712
"1442308"	256.117946	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H+HCOOH"	47.012746
"230909"	237.12744	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+3H2O+2H"	56.04448
"1517876"	270.16999	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+IsoProp+H"	61.06479
"417567"	240.081388	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+Na+K"	61.952376
"779654"	344.633988	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+Na+K"	61.952376
"1680239"	135.528788	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Na+K"	61.952376
"262506"	482.226168	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+ACN+Na"	64.015768
"1229017"	273.120968	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+ACN+Na"	64.015768
"1723009"	273.144493	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+NH4+HCOOH"	64.039293
"1186175"	92.6909513333333	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+3Na"	68.967654
"1654975"	278.099888	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Na+HCOOH"	68.994688
"158556"	495.12944	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+2K-H"	76.91904
"610875"	704.23464	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+2K-H"	76.91904
"1093564"	286.02424	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2K-H"	76.91904
"149288"	248.068358	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"2M+2K"	77.926316
"586660"	352.620958	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"3M+2K"	77.926316
"1078834"	143.515758	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2K"	77.926316
"1109854"	288.038792	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2K+H"	78.933592
"1342958"	288.126407	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+DMSO+H"	79.021207
"1010393"	292.165576	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2ACN+H"	83.060376
"1527425"	293.159208	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+IsoProp+Na+H"	84.054008
"990227"	146.586426	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+2ACN+2H"	84.067652
"1592752"	294.073828	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+K+HCOOH"	84.968628
"1426068"	324.105338	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+H+CF3COOH"	115.000138
"1154169"	167.099701	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+3ACN+2H"	125.094202
"1704816"	341.131885	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+NH4+CF3COOH"	132.026685
"1647028"	346.08728	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+Na+CF3COOH"	136.98208
"1583771"	362.06122	"C14262"	"p-Lactophenetide;4-Ethoxylactanilide;Lactylphenetidin"	"C11H15NO3"	"209.1052"	"M+K+CF3COOH"	152.95602
"815601"	237.079	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M"	0
"985490"	218.06061	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-H2O-H"	-19.01839
"77986"	157.045390666667	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M-3H"	-3.021828
"517545"	236.071724	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M-3H"	-3.021828
"887816"	78.0190573333333	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-3H"	-3.021828
"5296"	236.071724	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M-2H"	-2.014552
"443762"	354.611224	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M-2H"	-2.014552
"822659"	117.532224	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-2H"	-2.014552
"81556"	473.150724	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M-H"	-1.007276
"524397"	710.229724	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M-H"	-1.007276
"904386"	236.071724	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-H"	-1.007276
"55480"	490.177271	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M-2H+NH4"	16.019271
"500147"	727.256271	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M-2H+NH4"	16.019271
"873574"	253.098271	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-2H+NH4"	16.019271
"43663"	495.132666	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M-2H+Na"	20.974666
"484681"	732.211666	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M-2H+Na"	20.974666
"853736"	258.053666	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-2H+Na"	20.974666
"1624362"	258.053666	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Na-2H"	20.974666
"97611"	254.060063	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M-H+Cl"	33.962126
"535349"	372.599563	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M-H+Cl"	33.962126
"927360"	135.520563	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-H+Cl"	33.962126
"272528"	509.127402	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+Cl"	34.969402
"670424"	746.206402	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+Cl"	34.969402
"1275173"	272.048402	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Cl"	34.969402
"17728"	511.106606	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M-2H+K"	36.948606
"458382"	748.185606	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M-2H+K"	36.948606
"836182"	274.027606	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-2H+K"	36.948606
"1556754"	274.027606	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+K-2H"	36.948606
"944274"	282.077194	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-H+HCOOH"	44.998194
"364679"	519.156201	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+HCOOH-H"	44.998201
"355125"	533.171851	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+Hac-H"	59.013851
"1497396"	296.092851	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Hac-H"	59.013851
"967124"	304.059151	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-H+NaCOOH"	66.980151
"122959"	272.048402	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+2Cl"	69.938804
"553406"	390.587902	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+2Cl"	69.938804
"1026580"	153.508902	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2Cl"	69.938804
"1245064"	315.997885	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Br"	78.918885
"1306784"	318.053872	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Cl+HCOOH"	80.974872
"1325012"	340.035829	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Cl+NaCOOH"	102.956829
"914976"	350.064586	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M-H+CF3COOH"	112.985586
"1292779"	386.041264	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Cl+CF3COOH"	148.962264
"1369845"	202.066324	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H-2H2O"	-35.012676
"1382785"	220.0763	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H-H2O"	-17.0027
"284842"	475.165276	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+H"	1.007276
"679450"	712.244276	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+H"	1.007276
"1361267"	238.086276	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H"	1.007276
"139625"	238.086276	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+2H"	2.014552
"575905"	356.625776	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+2H"	2.014552
"1045798"	119.546776	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2H"	2.014552
"213699"	159.059942666667	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+3H"	3.021828
"655447"	238.086276	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+3H"	3.021828
"1170291"	80.0336093333333	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+3H"	3.021828
"432469"	492.191823	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+NH4"	18.033823
"790185"	729.270823	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+NH4"	18.033823
"1688703"	255.112823	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+NH4"	18.033823
"338072"	246.5995495	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+H+NH4"	19.041099
"729403"	365.1390495	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+H+NH4"	19.041099
"1481402"	128.0600495	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H+NH4"	19.041099
"395342"	497.147218	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+Na"	22.989218
"757430"	734.226218	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+Na"	22.989218
"1606990"	260.068218	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Na"	22.989218
"321038"	249.077247	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+H+Na"	23.996494
"714551"	367.616747	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+H+Na"	23.996494
"1470557"	130.537747	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H+Na"	23.996494
"1057971"	87.3609233333333	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2H+Na"	25.00377
"1261472"	270.112486	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+CH3OH+H"	33.033486
"381869"	513.121158	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+K"	38.963158
"743958"	750.200158	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+K"	38.963158
"1543833"	276.042158	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+K"	38.963158
"299182"	257.064217	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+H+K"	39.970434
"693061"	375.603717	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+H+K"	39.970434
"1445621"	138.524717	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H+K"	39.970434
"238035"	516.191826	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+ACN+H"	42.033826
"1216214"	279.112826	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+ACN+H"	42.033826
"1197912"	140.060051	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+ACN+2H"	43.041102
"188712"	519.12916	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+2Na-H"	44.97116
"629127"	756.20816	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+2Na-H"	44.97116
"1131659"	282.05016	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2Na-H"	44.97116
"174954"	260.068218	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+2Na"	45.978436
"624360"	378.607718	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+2Na"	45.978436
"1130668"	141.528718	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2Na"	45.978436
"1413953"	94.6882373333333	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H+2Na"	46.985712
"1444852"	284.091746	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H+HCOOH"	47.012746
"232842"	265.10124	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+3H2O+2H"	56.04448
"1521756"	298.14379	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+IsoProp+H"	61.06479
"419864"	268.055188	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+Na+K"	61.952376
"780857"	386.594688	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+Na+K"	61.952376
"1676094"	149.515688	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Na+K"	61.952376
"263709"	538.173768	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+ACN+Na"	64.015768
"1229856"	301.094768	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+ACN+Na"	64.015768
"1724212"	301.118293	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+NH4+HCOOH"	64.039293
"1187379"	102.015551333333	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+3Na"	68.967654
"1655085"	306.073688	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Na+HCOOH"	68.994688
"159759"	551.07704	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+2K-H"	76.91904
"608437"	788.15604	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+2K-H"	76.91904
"1093674"	313.99804	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2K-H"	76.91904
"150491"	276.042158	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"2M+2K"	77.926316
"583490"	394.581658	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"3M+2K"	77.926316
"1080402"	157.502658	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2K"	77.926316
"1109601"	316.012592	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2K+H"	78.933592
"1345255"	316.100207	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+DMSO+H"	79.021207
"1010503"	320.139376	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2ACN+H"	83.060376
"1530815"	321.133008	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+IsoProp+Na+H"	84.054008
"992890"	160.573326	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+2ACN+2H"	84.067652
"1588488"	322.047628	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+K+HCOOH"	84.968628
"1419616"	352.079138	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+H+CF3COOH"	115.000138
"1155372"	181.086601	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+3ACN+2H"	125.094202
"1707112"	369.105685	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+NH4+CF3COOH"	132.026685
"1646044"	374.06108	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+Na+CF3COOH"	136.98208
"1583881"	390.03502	"C14263"	"N-Benzylphthalimide;2-Benzylisoindole-13-dione"	"C15H11NO2"	"237.079"	"M+K+CF3COOH"	152.95602
"815711"	253.0739	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M"	0
"984506"	234.05551	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-H2O-H"	-19.01839
"77122"	167.708657333333	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M-3H"	-3.021828
"516681"	252.066624	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M-3H"	-3.021828
"886832"	83.3506906666667	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-3H"	-3.021828
"5406"	252.066624	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M-2H"	-2.014552
"443872"	378.603574	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M-2H"	-2.014552
"818514"	125.529674	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-2H"	-2.014552
"82759"	505.140524	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M-H"	-1.007276
"523413"	758.214424	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M-H"	-1.007276
"903403"	252.066624	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-H"	-1.007276
"54497"	522.167071	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M-2H+NH4"	16.019271
"497341"	775.240971	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M-2H+NH4"	16.019271
"871861"	269.093171	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-2H+NH4"	16.019271
"43044"	527.122466	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M-2H+Na"	20.974666
"484063"	780.196366	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M-2H+Na"	20.974666
"853846"	274.048566	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-2H+Na"	20.974666
"1621192"	274.048566	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Na-2H"	20.974666
"97721"	270.054963	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M-H+Cl"	33.962126
"538375"	396.591913	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M-H+Cl"	33.962126
"927391"	143.518013	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-H+Cl"	33.962126
"273731"	541.117202	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+Cl"	34.969402
"669442"	794.191102	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+Cl"	34.969402
"1274552"	288.043302	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Cl"	34.969402
"18928"	543.096406	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M-2H+K"	36.948606
"458491"	796.170306	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M-2H+K"	36.948606
"835925"	290.022506	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-2H+K"	36.948606
"1556861"	290.022506	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+K-2H"	36.948606
"944381"	298.072094	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-H+HCOOH"	44.998194
"364059"	551.146001	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+HCOOH-H"	44.998201
"354141"	565.161651	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+Hac-H"	59.013851
"1495319"	312.087751	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Hac-H"	59.013851
"960673"	320.054051	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-H+NaCOOH"	66.980151
"123069"	288.043302	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+2Cl"	69.938804
"552423"	414.580252	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+2Cl"	69.938804
"1024503"	161.506352	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2Cl"	69.938804
"1244082"	331.992785	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Br"	78.918885
"1307624"	334.048772	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Cl+HCOOH"	80.974872
"1324028"	356.030729	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Cl+NaCOOH"	102.956829
"913993"	366.059486	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M-H+CF3COOH"	112.985586
"1293982"	402.036164	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Cl+CF3COOH"	148.962264
"1368862"	218.061224	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H-2H2O"	-35.012676
"1383562"	236.0712	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H-H2O"	-17.0027
"284952"	507.155076	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+H"	1.007276
"679560"	760.228976	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+H"	1.007276
"1361377"	254.081176	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H"	1.007276
"138641"	254.081176	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+2H"	2.014552
"579295"	380.618126	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+2H"	2.014552
"1047000"	127.544226	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2H"	2.014552
"210527"	169.723209333333	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+3H"	3.021828
"655556"	254.081176	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+3H"	3.021828
"1169308"	85.3652426666667	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+3H"	3.021828
"433676"	524.181623	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+NH4"	18.033823
"790296"	777.255523	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+NH4"	18.033823
"1692094"	271.107723	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+NH4"	18.033823
"337090"	262.5944495	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+H+NH4"	19.041099
"728421"	389.1313995	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+H+NH4"	19.041099
"1483335"	136.0574995	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H+NH4"	19.041099
"397640"	529.137018	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+Na"	22.989218
"758634"	782.210918	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+Na"	22.989218
"1608923"	276.063118	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Na"	22.989218
"324428"	265.072147	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+H+Na"	23.996494
"716848"	391.609097	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+H+Na"	23.996494
"1471761"	138.535197	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H+Na"	23.996494
"1056260"	92.6925566666667	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2H+Na"	25.00377
"1264498"	286.107386	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+CH3OH+H"	33.033486
"384166"	545.110958	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+K"	38.963158
"744068"	798.184858	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+K"	38.963158
"1545036"	292.037058	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+K"	38.963158
"298737"	273.059117	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+H+K"	39.970434
"691755"	399.596067	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+H+K"	39.970434
"1447356"	146.522167	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H+K"	39.970434
"239240"	548.181626	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+ACN+H"	42.033826
"1216324"	295.107726	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+ACN+H"	42.033826
"1194318"	148.057501	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+ACN+2H"	43.041102
"188942"	551.11896	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+2Na-H"	44.97116
"628748"	804.19286	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+2Na-H"	44.97116
"1131888"	298.04506	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2Na-H"	44.97116
"174334"	276.063118	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+2Na"	45.978436
"623377"	402.600068	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+2Na"	45.978436
"1130419"	149.526168	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2Na"	45.978436
"1412722"	100.019870666667	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H+2Na"	46.985712
"1441435"	300.086646	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H+HCOOH"	47.012746
"228944"	281.09614	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+3H2O+2H"	56.04448
"1521015"	314.13869	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+IsoProp+H"	61.06479
"418880"	284.050088	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+Na+K"	61.952376
"782060"	410.587038	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+Na+K"	61.952376
"1676204"	157.513138	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Na+K"	61.952376
"261633"	570.163568	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+ACN+Na"	64.015768
"1232152"	317.089668	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+ACN+Na"	64.015768
"1722135"	317.113193	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+NH4+HCOOH"	64.039293
"1184208"	107.347184666667	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+3Na"	68.967654
"1651914"	322.068588	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Na+HCOOH"	68.994688
"160962"	583.06684	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+2K-H"	76.91904
"609274"	836.14074	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+2K-H"	76.91904
"1093784"	329.99294	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2K-H"	76.91904
"150601"	292.037058	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"2M+2K"	77.926316
"583600"	418.574008	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"3M+2K"	77.926316
"1069203"	165.500108	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2K"	77.926316
"1111165"	332.007492	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2K+H"	78.933592
"1344271"	332.095107	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+DMSO+H"	79.021207
"1010613"	336.134276	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2ACN+H"	83.060376
"1525458"	337.127908	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+IsoProp+Na+H"	84.054008
"995186"	168.570776	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+2ACN+2H"	84.067652
"1587297"	338.042528	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+K+HCOOH"	84.968628
"1416444"	368.074038	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+H+CF3COOH"	115.000138
"1152201"	189.084051	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+3ACN+2H"	125.094202
"1707222"	385.100585	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+NH4+CF3COOH"	132.026685
"1646154"	390.05598	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+Na+CF3COOH"	136.98208
"1580711"	406.02992	"C14264"	"2-(4-Hydroxybenzyl)isoindole-13-dione"	"C15H11NO3"	"253.0739"	"M+K+CF3COOH"	152.95602
"816186"	282.0641	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M"	0
"984616"	263.04571	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-H2O-H"	-19.01839
"77598"	187.035457333333	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M-3H"	-3.021828
"517401"	281.056824	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M-3H"	-3.021828
"886943"	93.0140906666667	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-3H"	-3.021828
"6610"	281.056824	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M-2H"	-2.014552
"446170"	422.088874	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M-2H"	-2.014552
"819963"	140.024774	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-2H"	-2.014552
"81776"	563.120924	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M-H"	-1.007276
"523523"	845.185024	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M-H"	-1.007276
"901327"	281.056824	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-H"	-1.007276
"53514"	580.147471	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M-2H+NH4"	16.019271
"497087"	862.211571	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M-2H+NH4"	16.019271
"871971"	298.083371	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-2H+NH4"	16.019271
"42790"	585.102866	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M-2H+Na"	20.974666
"481621"	867.166966	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M-2H+Na"	20.974666
"856143"	303.038766	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-2H+Na"	20.974666
"1621302"	303.038766	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Na-2H"	20.974666
"97831"	299.045163	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M-H+Cl"	33.962126
"536662"	440.077213	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M-H+Cl"	33.962126
"927865"	158.013113	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-H+Cl"	33.962126
"273841"	599.097602	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+Cl"	34.969402
"671737"	881.161702	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+Cl"	34.969402
"1276486"	317.033502	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Cl"	34.969402
"20497"	601.076806	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M-2H+K"	36.948606
"458601"	883.140906	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M-2H+K"	36.948606
"836400"	319.012706	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-2H+K"	36.948606
"1557702"	319.012706	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+K-2H"	36.948606
"945219"	327.062294	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-H+HCOOH"	44.998194
"363805"	609.126401	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+HCOOH-H"	44.998201
"350970"	623.142051	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+Hac-H"	59.013851
"1496522"	341.077951	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Hac-H"	59.013851
"960783"	349.044251	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-H+NaCOOH"	66.980151
"121719"	317.033502	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+2Cl"	69.938804
"555814"	458.065552	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+2Cl"	69.938804
"1032267"	176.001452	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2Cl"	69.938804
"1248566"	360.982985	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Br"	78.918885
"1308828"	363.038972	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Cl+HCOOH"	80.974872
"1324137"	385.020929	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Cl+NaCOOH"	102.956829
"914103"	395.049686	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M-H+CF3COOH"	112.985586
"1295185"	431.026364	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Cl+CF3COOH"	148.962264
"1371159"	247.051424	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H-2H2O"	-35.012676
"1386469"	265.0614	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H-H2O"	-17.0027
"282982"	565.135476	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+H"	1.007276
"676391"	847.199576	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+H"	1.007276
"1359301"	283.071376	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H"	1.007276
"136565"	283.071376	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+2H"	2.014552
"573939"	424.103426	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+2H"	2.014552
"1050391"	142.039326	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2H"	2.014552
"211731"	189.050009333333	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+3H"	3.021828
"652386"	283.071376	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+3H"	3.021828
"1169419"	95.0286426666667	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+3H"	3.021828
"433785"	582.162023	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+NH4"	18.033823
"789314"	864.226123	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+NH4"	18.033823
"1692204"	300.097923	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+NH4"	18.033823
"335014"	291.5846495	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+H+NH4"	19.041099
"729624"	432.6166995	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+H+NH4"	19.041099
"1483445"	150.5525995	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H+NH4"	19.041099
"398843"	587.117418	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+Na"	22.989218
"760931"	869.181518	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+Na"	22.989218
"1605753"	305.053318	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Na"	22.989218
"320163"	294.062347	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+H+Na"	23.996494
"716958"	435.094397	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+H+Na"	23.996494
"1471871"	153.030297	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H+Na"	23.996494
"1056370"	102.355956666667	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2H+Na"	25.00377
"1261328"	315.097586	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+CH3OH+H"	33.033486
"380996"	603.091358	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+K"	38.963158
"740897"	885.155458	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+K"	38.963158
"1542958"	321.027258	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+K"	38.963158
"299280"	302.049317	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+H+K"	39.970434
"692554"	443.081367	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+H+K"	39.970434
"1448194"	161.017267	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H+K"	39.970434
"237891"	606.162026	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+ACN+H"	42.033826
"1214247"	324.097926	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+ACN+H"	42.033826
"1196308"	162.552601	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+ACN+2H"	43.041102
"192093"	609.09936	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+2Na-H"	44.97116
"630198"	891.16346	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+2Na-H"	44.97116
"1136253"	327.03526	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2Na-H"	44.97116
"178455"	305.053318	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+2Na"	45.978436
"621294"	446.085368	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+2Na"	45.978436
"1130278"	164.021268	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2Na"	45.978436
"1411979"	109.683270666667	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H+2Na"	46.985712
"1442638"	329.076846	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H+HCOOH"	47.012746
"231969"	310.08634	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+3H2O+2H"	56.04448
"1520758"	343.12889	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+IsoProp+H"	61.06479
"418989"	313.040288	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+Na+K"	61.952376
"779982"	454.072338	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+Na+K"	61.952376
"1668659"	172.008238	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Na+K"	61.952376
"263930"	628.143968	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+ACN+Na"	64.015768
"1233357"	346.079868	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+ACN+Na"	64.015768
"1722245"	346.103393	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+NH4+HCOOH"	64.039293
"1184318"	117.010584666667	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+3Na"	68.967654
"1652024"	351.058788	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Na+HCOOH"	68.994688
"158885"	641.04724	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+2K-H"	76.91904
"607195"	923.11134	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+2K-H"	76.91904
"1088426"	358.98314	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2K-H"	76.91904
"148524"	321.027258	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"2M+2K"	77.926316
"582980"	462.059308	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"3M+2K"	77.926316
"1070043"	179.995208	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2K"	77.926316
"1100821"	360.997692	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2K+H"	78.933592
"1344380"	361.085307	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+DMSO+H"	79.021207
"1010723"	365.124476	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2ACN+H"	83.060376
"1526661"	366.118108	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+IsoProp+Na+H"	84.054008
"993109"	183.065876	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+2ACN+2H"	84.067652
"1587605"	367.032728	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+K+HCOOH"	84.968628
"1414442"	397.064238	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+H+CF3COOH"	115.000138
"1150124"	203.579151	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+3ACN+2H"	125.094202
"1706239"	414.090785	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+NH4+CF3COOH"	132.026685
"1645171"	419.04618	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+Na+CF3COOH"	136.98208
"1580821"	435.02012	"C14265"	"N-(p-Nitrobenzyl)phthalimide;2-(4-Nitrobenzyl)isoindole-13-dione"	"C15H10N2O4"	"282.0641"	"M+K+CF3COOH"	152.95602
"814473"	211.04	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M"	0
"983633"	192.02161	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-H2O-H"	-19.01839
"76249"	139.686057333333	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M-3H"	-3.021828
"515808"	210.032724	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M-3H"	-3.021828
"885960"	69.3393906666667	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-3H"	-3.021828
"6720"	210.032724	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M-2H"	-2.014552
"444094"	315.552724	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M-2H"	-2.014552
"819709"	104.512724	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-2H"	-2.014552
"81886"	421.072724	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M-H"	-1.007276
"523633"	632.112724	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M-H"	-1.007276
"900344"	210.032724	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-H"	-1.007276
"53624"	438.099271	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M-2H+NH4"	16.019271
"499385"	649.139271	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M-2H+NH4"	16.019271
"873175"	227.059271	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-2H+NH4"	16.019271
"44723"	443.054666	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M-2H+Na"	20.974666
"481367"	654.094666	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M-2H+Na"	20.974666
"856253"	232.014666	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-2H+Na"	20.974666
"1625786"	232.014666	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Na-2H"	20.974666
"99035"	228.021063	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M-H+Cl"	33.962126
"536772"	333.541063	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M-H+Cl"	33.962126
"931016"	122.501063	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-H+Cl"	33.962126
"273951"	457.049402	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+Cl"	34.969402
"666380"	668.089402	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+Cl"	34.969402
"1284251"	246.009402	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Cl"	34.969402
"19151"	459.028606	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M-2H+K"	36.948606
"457977"	670.068606	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M-2H+K"	36.948606
"835420"	247.988606	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-2H+K"	36.948606
"1556960"	247.988606	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+K-2H"	36.948606
"944602"	256.038194	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-H+HCOOH"	44.998194
"363915"	467.078201	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+HCOOH-H"	44.998201
"351080"	481.093851	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+Hac-H"	59.013851
"1498819"	270.053851	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Hac-H"	59.013851
"960893"	278.020151	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-H+NaCOOH"	66.980151
"116362"	246.009402	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+2Cl"	69.938804
"555924"	351.529402	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+2Cl"	69.938804
"1026909"	140.489402	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2Cl"	69.938804
"1248676"	289.958885	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Br"	78.918885
"1314405"	292.014872	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Cl+HCOOH"	80.974872
"1325342"	313.996829	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Cl+NaCOOH"	102.956829
"918587"	324.025586	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M-H+CF3COOH"	112.985586
"1297483"	360.002264	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Cl+CF3COOH"	148.962264
"1374550"	176.027324	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H-2H2O"	-35.012676
"1390952"	194.0373	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H-H2O"	-17.0027
"292825"	423.087276	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+H"	1.007276
"680874"	634.127276	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+H"	1.007276
"1361598"	212.047276	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H"	1.007276
"134488"	212.047276	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+2H"	2.014552
"577330"	317.567276	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+2H"	2.014552
"1049408"	106.527276	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2H"	2.014552
"211842"	141.700609333333	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+3H"	3.021828
"651404"	212.047276	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+3H"	3.021828
"1170623"	71.3539426666667	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+3H"	3.021828
"434988"	440.113823	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+NH4"	18.033823
"793797"	651.153823	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+NH4"	18.033823
"1693407"	229.073823	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+NH4"	18.033823
"339498"	220.5605495	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+H+NH4"	19.041099
"729734"	326.0805495	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+H+NH4"	19.041099
"1487930"	115.0405495	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H+NH4"	19.041099
"400048"	445.069218	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+Na"	22.989218
"763229"	656.109218	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+Na"	22.989218
"1610234"	234.029218	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Na"	22.989218
"323551"	223.038247	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+H+Na"	23.996494
"714880"	328.558247	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+H+Na"	23.996494
"1469794"	117.518247	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H+Na"	23.996494
"1058666"	78.6812566666667	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2H+Na"	25.00377
"1263624"	244.073486	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+CH3OH+H"	33.033486
"383290"	461.043158	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+K"	38.963158
"744287"	672.083158	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+K"	38.963158
"1545255"	250.003158	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+K"	38.963158
"299271"	231.025217	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+H+K"	39.970434
"691430"	336.545217	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+H+K"	39.970434
"1448670"	125.505217	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H+K"	39.970434
"240553"	464.113826	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+ACN+H"	42.033826
"1214357"	253.073826	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+ACN+H"	42.033826
"1196783"	127.040551	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+ACN+2H"	43.041102
"190139"	467.05116	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+2Na-H"	44.97116
"631039"	678.09116	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+2Na-H"	44.97116
"1136364"	256.01116	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2Na-H"	44.97116
"172879"	234.029218	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+2Na"	45.978436
"618122"	339.549218	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+2Na"	45.978436
"1130024"	128.509218	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2Na"	45.978436
"1412090"	86.0085706666667	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H+2Na"	46.985712
"1442749"	258.052746	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H+HCOOH"	47.012746
"233539"	239.06224	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+3H2O+2H"	56.04448
"1522327"	272.10479	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+IsoProp+H"	61.06479
"414726"	242.016188	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+Na+K"	61.952376
"779001"	347.536188	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+Na+K"	61.952376
"1674238"	136.496188	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Na+K"	61.952376
"259667"	486.095768	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+ACN+Na"	64.015768
"1237843"	275.055768	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+ACN+Na"	64.015768
"1716887"	275.079293	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+NH4+HCOOH"	64.039293
"1187708"	93.3358846666667	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+3Na"	68.967654
"1652133"	280.034688	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Na+HCOOH"	68.994688
"159237"	498.99904	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+2K-H"	76.91904
"605118"	710.03904	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+2K-H"	76.91904
"1088536"	287.95904	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2K-H"	76.91904
"144260"	250.003158	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"2M+2K"	77.926316
"583090"	355.523158	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"3M+2K"	77.926316
"1073799"	144.483158	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2K"	77.926316
"1104821"	289.973592	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2K+H"	78.933592
"1341210"	290.061207	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+DMSO+H"	79.021207
"1007795"	294.100376	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2ACN+H"	83.060376
"1525305"	295.094008	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+IsoProp+Na+H"	84.054008
"991274"	147.553826	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+2ACN+2H"	84.067652
"1587353"	296.008628	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+K+HCOOH"	84.968628
"1414711"	326.040138	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+H+CF3COOH"	115.000138
"1149140"	168.067101	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+3ACN+2H"	125.094202
"1704162"	343.066685	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+NH4+CF3COOH"	132.026685
"1639813"	348.02208	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+Na+CF3COOH"	136.98208
"1580931"	363.99602	"C14266"	"p-Chloroacetoacetanilide;4-Chloroacetoacetanilide"	"C10H10ClNO2"	"211.04"	"M+K+CF3COOH"	152.95602
"817020"	240.0423	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M"	0
"989821"	221.02391	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H2O-H"	-19.01839
"78062"	159.020924	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-3H"	-3.021828
"515918"	239.035024	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-3H"	-3.021828
"889350"	79.006824	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-3H"	-3.021828
"5737"	239.035024	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H"	-2.014552
"447484"	359.056174	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H"	-2.014552
"820911"	119.013874	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H"	-2.014552
"83088"	479.077324	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-H"	-1.007276
"523742"	719.119624	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-H"	-1.007276
"896150"	239.035024	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H"	-1.007276
"47531"	496.103871	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H+NH4"	16.019271
"487456"	736.146171	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H+NH4"	16.019271
"864419"	256.061571	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H+NH4"	16.019271
"45197"	501.059266	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H+Na"	20.974666
"486462"	741.101566	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H+Na"	20.974666
"858549"	261.016966	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H+Na"	20.974666
"1627719"	261.016966	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na-2H"	20.974666
"100238"	257.023363	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-H+Cl"	33.962126
"538705"	377.044513	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-H+Cl"	33.962126
"934406"	137.002213	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+Cl"	33.962126
"276248"	515.054002	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Cl"	34.969402
"669768"	755.096302	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+Cl"	34.969402
"1284361"	275.011702	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl"	34.969402
"23635"	517.033206	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M-2H+K"	36.948606
"461007"	757.075506	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M-2H+K"	36.948606
"839903"	276.990906	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-2H+K"	36.948606
"1560110"	276.990906	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K-2H"	36.948606
"944714"	285.040494	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+HCOOH"	44.998194
"364023"	525.082801	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+HCOOH-H"	44.998201
"353377"	539.098451	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Hac-H"	59.013851
"1498929"	299.056151	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Hac-H"	59.013851
"967563"	307.022451	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+NaCOOH"	66.980151
"122304"	275.011702	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2Cl"	69.938804
"552754"	395.032852	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2Cl"	69.938804
"1027019"	154.990552	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2Cl"	69.938804
"1248786"	318.961185	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Br"	78.918885
"1317795"	321.017172	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl+HCOOH"	80.974872
"1327638"	342.999129	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl+NaCOOH"	102.956829
"921977"	353.027886	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M-H+CF3COOH"	112.985586
"1301966"	389.004564	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Cl+CF3COOH"	148.962264
"1376846"	205.029624	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H-2H2O"	-35.012676
"1395435"	223.0396	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H-H2O"	-17.0027
"292936"	481.091876	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H"	1.007276
"688275"	721.134176	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H"	1.007276
"1363531"	241.049576	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H"	1.007276
"134599"	241.049576	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2H"	2.014552
"573067"	361.070726	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2H"	2.014552
"1050248"	121.028426	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2H"	2.014552
"215233"	161.035476	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+3H"	3.021828
"659169"	241.049576	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+3H"	3.021828
"1177661"	81.021376	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+3H"	3.021828
"437285"	498.118423	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+NH4"	18.033823
"793909"	738.160723	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+NH4"	18.033823
"1692063"	258.076123	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+NH4"	18.033823
"343985"	249.5628495	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H+NH4"	19.041099
"733124"	369.5839995	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H+NH4"	19.041099
"1490227"	129.5416995	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+NH4"	19.041099
"407327"	503.073818	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Na"	22.989218
"768809"	743.116118	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+Na"	22.989218
"1613625"	263.031518	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na"	22.989218
"325848"	252.040547	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H+Na"	23.996494
"720456"	372.061697	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H+Na"	23.996494
"1470997"	132.019397	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+Na"	23.996494
"1065337"	88.34869	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2H+Na"	25.00377
"1265920"	273.075786	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+CH3OH+H"	33.033486
"385589"	519.047758	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+K"	38.963158
"746585"	759.090058	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+K"	38.963158
"1545365"	279.005458	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K"	38.963158
"299624"	260.027517	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+H+K"	39.970434
"693137"	380.048667	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+H+K"	39.970434
"1450968"	140.006367	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+K"	39.970434
"242851"	522.118426	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+ACN+H"	42.033826
"1215563"	282.076126	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+ACN+H"	42.033826
"1204550"	141.541701	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+ACN+2H"	43.041102
"197783"	525.05576	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2Na-H"	44.97116
"638803"	765.09806	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2Na-H"	44.97116
"1140849"	285.01346	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2Na-H"	44.97116
"180857"	263.031518	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2Na"	45.978436
"623700"	383.052668	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2Na"	45.978436
"1130863"	143.010368	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2Na"	45.978436
"1413252"	95.676004	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+2Na"	46.985712
"1445586"	287.055046	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+HCOOH"	47.012746
"234742"	268.06454	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+3H2O+2H"	56.04448
"1522439"	301.10709	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+IsoProp+H"	61.06479
"417023"	271.018488	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+Na+K"	61.952376
"782027"	391.039638	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+Na+K"	61.952376
"1674348"	150.997338	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na+K"	61.952376
"263057"	544.100368	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+ACN+Na"	64.015768
"1239047"	304.058068	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+ACN+Na"	64.015768
"1719184"	304.081593	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+NH4+HCOOH"	64.039293
"1186725"	103.003318	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+3Na"	68.967654
"1655524"	309.036988	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na+HCOOH"	68.994688
"161291"	557.00364	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2K-H"	76.91904
"605228"	797.04594	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2K-H"	76.91904
"1089739"	316.96134	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2K-H"	76.91904
"146557"	279.005458	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"2M+2K"	77.926316
"587210"	399.026608	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"3M+2K"	77.926316
"1080470"	158.984308	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2K"	77.926316
"1110398"	318.975892	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2K+H"	78.933592
"1349699"	319.063507	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+DMSO+H"	79.021207
"1014222"	323.102676	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2ACN+H"	83.060376
"1534533"	324.096308	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+IsoProp+Na+H"	84.054008
"991384"	162.054976	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+2ACN+2H"	84.067652
"1588558"	325.010928	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K+HCOOH"	84.968628
"1414699"	355.042438	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+H+CF3COOH"	115.000138
"1149250"	182.568251	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+3ACN+2H"	125.094202
"1705365"	372.068985	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+NH4+CF3COOH"	132.026685
"1643203"	377.02438	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+Na+CF3COOH"	136.98208
"1584321"	392.99832	"C14267"	"Anthrafravic acid;Anthraflavin;26-Dihydroxyanthraquinone"	"C14H8O4"	"240.0423"	"M+K+CF3COOH"	152.95602
"815787"	235.9908	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M"	0
"983853"	216.97241	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-H2O-H"	-19.01839
"75374"	156.319924	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M-3H"	-3.021828
"512748"	234.983524	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M-3H"	-3.021828
"887273"	77.656324	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-3H"	-3.021828
"2567"	234.983524	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M-2H"	-2.014552
"444314"	352.978924	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M-2H"	-2.014552
"818835"	116.988124	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-2H"	-2.014552
"82105"	470.974324	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M-H"	-1.007276
"521666"	706.965124	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M-H"	-1.007276
"895669"	234.983524	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-H"	-1.007276
"47182"	488.000871	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M-2H+NH4"	16.019271
"489030"	723.991671	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M-2H+NH4"	16.019271
"864383"	252.010071	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-2H+NH4"	16.019271
"39109"	492.956266	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M-2H+Na"	20.974666
"478671"	728.947066	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M-2H+Na"	20.974666
"852099"	256.965466	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-2H+Na"	20.974666
"1622727"	256.965466	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Na-2H"	20.974666
"99254"	252.971863	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M-H+Cl"	33.962126
"537721"	370.967263	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M-H+Cl"	33.962126
"934514"	134.976463	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-H+Cl"	33.962126
"274173"	506.951002	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+Cl"	34.969402
"667692"	742.941802	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+Cl"	34.969402
"1281191"	270.960202	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Cl"	34.969402
"24841"	508.930206	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M-2H+K"	36.948606
"460024"	744.921006	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M-2H+K"	36.948606
"835640"	272.939406	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-2H+K"	36.948606
"1556939"	272.939406	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+K-2H"	36.948606
"944824"	280.988994	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-H+HCOOH"	44.998194
"362672"	516.979801	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+HCOOH-H"	44.998201
"353486"	530.995451	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+Hac-H"	59.013851
"1497946"	295.004651	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Hac-H"	59.013851
"967673"	302.970951	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-H+NaCOOH"	66.980151
"121685"	270.960202	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+2Cl"	69.938804
"552864"	388.955602	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+2Cl"	69.938804
"1027129"	152.964802	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2Cl"	69.938804
"1247802"	314.909685	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Br"	78.918885
"1314625"	316.965672	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Cl+HCOOH"	80.974872
"1331029"	338.947629	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Cl+NaCOOH"	102.956829
"920994"	348.976386	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M-H+CF3COOH"	112.985586
"1301349"	384.953064	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Cl+CF3COOH"	148.962264
"1374771"	200.978124	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H-2H2O"	-35.012676
"1393360"	218.9881	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H-H2O"	-17.0027
"290861"	472.988876	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+H"	1.007276
"687656"	708.979676	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+H"	1.007276
"1359632"	236.998076	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H"	1.007276
"137990"	236.998076	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+2H"	2.014552
"572084"	354.993476	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+2H"	2.014552
"1047443"	119.002676	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2H"	2.014552
"217898"	158.334476	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+3H"	3.021828
"655634"	236.998076	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+3H"	3.021828
"1174126"	79.670876	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+3H"	3.021828
"434116"	490.015423	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+NH4"	18.033823
"797298"	726.006223	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+NH4"	18.033823
"1689257"	254.024623	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+NH4"	18.033823
"342638"	245.5113495	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+H+NH4"	19.041099
"729955"	363.5067495	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+H+NH4"	19.041099
"1488150"	127.5159495	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H+NH4"	19.041099
"404641"	494.970818	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+Na"	22.989218
"767459"	730.961618	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+Na"	22.989218
"1610455"	258.980018	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Na"	22.989218
"325959"	247.989047	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+H+Na"	23.996494
"716193"	365.984447	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+H+Na"	23.996494
"1471108"	129.993647	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H+Na"	23.996494
"1064354"	86.99819	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2H+Na"	25.00377
"1269313"	269.024286	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+CH3OH+H"	33.033486
"385701"	510.944758	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+K"	38.963158
"745602"	746.935558	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+K"	38.963158
"1542194"	274.953958	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+K"	38.963158
"301557"	255.976017	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+H+K"	39.970434
"693977"	373.971417	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+H+K"	39.970434
"1447800"	137.980617	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H+K"	39.970434
"244055"	514.015426	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+ACN+H"	42.033826
"1215673"	278.024626	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+ACN+H"	42.033826
"1203566"	139.515951	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+ACN+2H"	43.041102
"195708"	516.95276	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+2Na-H"	44.97116
"636361"	752.94356	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+2Na-H"	44.97116
"1142052"	280.96196	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2Na-H"	44.97116
"182792"	258.980018	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+2Na"	45.978436
"617254"	376.975418	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+2Na"	45.978436
"1130487"	140.984618	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2Na"	45.978436
"1412309"	94.325504	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H+2Na"	46.985712
"1444428"	283.003546	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H+HCOOH"	47.012746
"235217"	264.01304	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+3H2O+2H"	56.04448
"1522549"	297.05559	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+IsoProp+H"	61.06479
"421143"	266.966988	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+Na+K"	61.952376
"781044"	384.962388	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+Na+K"	61.952376
"1679562"	148.971588	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Na+K"	61.952376
"263898"	535.997368	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+ACN+Na"	64.015768
"1241055"	300.006568	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+ACN+Na"	64.015768
"1719294"	300.030093	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+NH4+HCOOH"	64.039293
"1184648"	101.652818	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+3Na"	68.967654
"1655634"	304.985488	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Na+HCOOH"	68.994688
"161402"	548.90064	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+2K-H"	76.91904
"605338"	784.89144	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+2K-H"	76.91904
"1090942"	312.90984	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2K-H"	76.91904
"148854"	274.953958	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"2M+2K"	77.926316
"589508"	392.949358	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"3M+2K"	77.926316
"1077300"	156.958558	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2K"	77.926316
"1110509"	314.924392	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2K+H"	78.933592
"1343613"	315.012007	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+DMSO+H"	79.021207
"1015426"	319.051176	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2ACN+H"	83.060376
"1535738"	320.044808	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+IsoProp+Na+H"	84.054008
"993439"	160.029226	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+2ACN+2H"	84.067652
"1587693"	320.959428	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+K+HCOOH"	84.968628
"1414567"	350.990938	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+H+CF3COOH"	115.000138
"1149360"	180.542501	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+3ACN+2H"	125.094202
"1700005"	368.017485	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+NH4+CF3COOH"	132.026685
"1643313"	372.97288	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+Na+CF3COOH"	136.98208
"1584431"	388.94682	"C14268"	"Fenpiclonil;3-(23-Dichlorophenyl)-4-cyanopyrrole"	"C11H6Cl2N2"	"235.9908"	"M+K+CF3COOH"	152.95602
"814803"	302.1882	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M"	0
"983963"	283.16981	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"75484"	200.451524	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"512858"	301.180924	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"887383"	99.722124	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"2677"	301.180924	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"444424"	452.275024	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"817852"	150.086824	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"82215"	603.369124	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"521776"	905.557324	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"896170"	301.180924	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"47789"	620.395671	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"489140"	922.583871	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"864749"	318.207471	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"38126"	625.351066	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"478781"	927.539266	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"855489"	323.162866	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1623201"	323.162866	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"101551"	319.169263	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"545122"	470.263363	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"936811"	168.075163	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"274283"	639.345802	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"669989"	941.534002	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1280208"	337.157602	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"20578"	641.325006	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"458310"	943.513206	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"835020"	339.136806	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1557775"	339.136806	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"943839"	347.186394	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"362781"	649.374601	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"349222"	663.390251	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1500242"	361.202051	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"965596"	369.168351	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"123618"	337.157602	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"552974"	488.251702	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1027239"	186.063502	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1253378"	381.107085	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1314735"	383.163072	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1330045"	405.145029	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"926329"	415.173786	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1302187"	451.150464	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1374881"	267.175524	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1393472"	285.1855	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"296439"	605.383676	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"689953"	907.571876	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1356463"	303.195476	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"134820"	303.195476	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"572194"	454.289576	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1047554"	152.101376	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"216549"	202.466076	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"656109"	303.195476	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1175329"	101.736676	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"438236"	622.410223	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"797408"	924.598423	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1690460"	320.222023	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"343477"	311.7087495	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"735532"	462.8028495	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1491541"	160.6146495	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"405845"	627.365618	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"766840"	929.553818	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1609471"	325.177418	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"326070"	314.186447	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"718491"	465.280547	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1469031"	163.092347	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1062277"	109.06399	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1266143"	335.221686	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"386905"	643.339558	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"745713"	945.527758	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1542303"	341.151358	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"298950"	322.173417	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"695181"	473.267517	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1449003"	171.079317	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"240885"	646.410226	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1216875"	344.222026	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1206224"	172.614651	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"200920"	649.34756	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"638657"	951.53576	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1141068"	347.15936	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"183266"	325.177418	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"619552"	476.271518	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1130477"	174.083318	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1410960"	116.391304	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1444414"	349.200946	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"234233"	330.21044	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1521569"	363.25299	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"420524"	333.164388	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"781518"	484.258488	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1677485"	182.070288	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"261821"	668.392168	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1237811"	366.203968	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1719404"	366.227493	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1183664"	123.718618	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1655743"	371.182888	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"162605"	681.29544	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"602166"	983.48364	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1092145"	379.10724	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"147872"	341.151358	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"587432"	492.245458	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1076317"	190.057258	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1110619"	381.121792	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1345911"	381.209407	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1013349"	385.248576	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1530382"	386.242208	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"994641"	193.127926	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1587803"	387.156828	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1414325"	417.188338	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1149834"	213.641201	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1697320"	434.214885	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1640142"	439.17028	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1581261"	455.14422	"C14269"	"5alpha-Androstane-31117-trione"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"816372"	128.0029	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M"	0
"988447"	108.98451	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-H2O-H"	-19.01839
"77783"	84.3279906666667	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M-3H"	-3.021828
"516248"	126.995624	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M-3H"	-3.021828
"886399"	41.6603573333333	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-3H"	-3.021828
"8254"	126.995624	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H"	-2.014552
"446721"	190.997074	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H"	-2.014552
"825617"	62.994174	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-2H"	-2.014552
"86700"	254.998524	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M-H"	-1.007276
"525166"	383.001424	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M-H"	-1.007276
"899686"	126.995624	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-H"	-1.007276
"48957"	272.025071	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H+NH4"	16.019271
"491439"	400.027971	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H+NH4"	16.019271
"868146"	144.022171	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-2H+NH4"	16.019271
"38236"	276.980466	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H+Na"	20.974666
"484358"	404.983366	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H+Na"	20.974666
"862890"	148.977566	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-2H+Na"	20.974666
"1628413"	148.977566	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Na-2H"	20.974666
"102754"	144.983963	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M-H+Cl"	33.962126
"546688"	208.985413	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M-H+Cl"	33.962126
"939110"	80.982513	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-H+Cl"	33.962126
"277673"	290.975202	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+Cl"	34.969402
"671192"	418.978102	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+Cl"	34.969402
"1282505"	162.972302	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl"	34.969402
"26156"	292.954406	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M-2H+K"	36.948606
"457692"	420.957306	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M-2H+K"	36.948606
"838047"	164.951506	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-2H+K"	36.948606
"1557522"	164.951506	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+K-2H"	36.948606
"945045"	173.001094	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-H+HCOOH"	44.998194
"363259"	301.004001	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+HCOOH-H"	44.998201
"349332"	315.019651	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+Hac-H"	59.013851
"1503632"	187.016751	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Hac-H"	59.013851
"964613"	194.983051	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-H+NaCOOH"	66.980151
"123364"	162.972302	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+2Cl"	69.938804
"555271"	226.973752	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+2Cl"	69.938804
"1024070"	98.970852	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2Cl"	69.938804
"1250210"	206.921785	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Br"	78.918885
"1315939"	208.977772	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl+HCOOH"	80.974872
"1331250"	230.959729	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl+NaCOOH"	102.956829
"925105"	240.988486	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M-H+CF3COOH"	112.985586
"1303028"	276.965164	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Cl+CF3COOH"	148.962264
"1381552"	92.990224	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H-2H2O"	-35.012676
"1394674"	111.0002	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H-H2O"	-17.0027
"293266"	257.013076	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+H"	1.007276
"688969"	385.015976	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+H"	1.007276
"1365931"	129.010176	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H"	1.007276
"131650"	129.010176	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+2H"	2.014552
"578500"	193.011626	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+2H"	2.014552
"1047664"	65.008726	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2H"	2.014552
"213378"	86.3425426666667	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+3H"	3.021828
"650752"	129.010176	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+3H"	3.021828
"1173253"	43.6749093333333	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+3H"	3.021828
"437983"	274.039623	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+NH4"	18.033823
"796426"	402.042523	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+NH4"	18.033823
"1692394"	146.036723	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+NH4"	18.033823
"341766"	137.5234495	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+H+NH4"	19.041099
"732362"	201.5248995	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+H+NH4"	19.041099
"1489465"	73.5219995	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H+NH4"	19.041099
"404862"	278.995018	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+Na"	22.989218
"766950"	406.997918	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+Na"	22.989218
"1611770"	150.992118	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Na"	22.989218
"323993"	140.001147	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+H+Na"	23.996494
"718601"	204.002597	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+H+Na"	23.996494
"1473515"	75.999697	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H+Na"	23.996494
"1063481"	51.0022233333333	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2H+Na"	25.00377
"1267347"	161.036386	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+CH3OH+H"	33.033486
"388110"	294.968958	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+K"	38.963158
"753114"	422.971858	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+K"	38.963158
"1550067"	166.966058	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+K"	38.963158
"305058"	147.988117	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+H+K"	39.970434
"699666"	211.989567	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+H+K"	39.970434
"1452393"	83.986667	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H+K"	39.970434
"246462"	298.039626	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+ACN+H"	42.033826
"1220266"	170.036726	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+ACN+H"	42.033826
"1205605"	85.522001	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+ACN+2H"	43.041102
"198114"	300.97696	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+2Na-H"	44.97116
"640956"	428.97986	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+2Na-H"	44.97116
"1143369"	172.97406	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2Na-H"	44.97116
"178279"	150.992118	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+2Na"	45.978436
"621850"	214.993568	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+2Na"	45.978436
"1130834"	86.990668	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2Na"	45.978436
"1413257"	58.3295373333333	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H+2Na"	46.985712
"1444284"	175.015646	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H+HCOOH"	47.012746
"234711"	156.02514	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+3H2O+2H"	56.04448
"1523503"	189.06769	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+IsoProp+H"	61.06479
"420636"	158.979088	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+Na+K"	61.952376
"781629"	222.980538	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+Na+K"	61.952376
"1679418"	94.977638	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Na+K"	61.952376
"262295"	320.021568	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+ACN+Na"	64.015768
"1235369"	192.018668	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+ACN+Na"	64.015768
"1721702"	192.042193	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+NH4+HCOOH"	64.039293
"1185963"	65.6568513333333	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+3Na"	68.967654
"1656948"	196.997588	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Na+HCOOH"	68.994688
"165998"	332.92484	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+2K-H"	76.91904
"602276"	460.92774	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+2K-H"	76.91904
"1087518"	204.92194	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2K-H"	76.91904
"143242"	166.966058	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"2M+2K"	77.926316
"586449"	230.967508	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"3M+2K"	77.926316
"1076427"	102.964608	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2K"	77.926316
"1109637"	206.936492	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2K+H"	78.933592
"1344926"	207.024107	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+DMSO+H"	79.021207
"1013460"	211.063276	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2ACN+H"	83.060376
"1534867"	212.056908	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+IsoProp+Na+H"	84.054008
"994754"	106.035276	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+2ACN+2H"	84.067652
"1590352"	212.971528	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+K+HCOOH"	84.968628
"1424761"	243.003038	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+H+CF3COOH"	115.000138
"1156142"	126.548551	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+3ACN+2H"	125.094202
"1705695"	260.029585	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+NH4+CF3COOH"	132.026685
"1644628"	264.98498	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+Na+CF3COOH"	136.98208
"1578091"	280.95892	"C14270"	"3-Chlorophenol"	"C6H5ClO"	"128.0029"	"M+K+CF3COOH"	152.95602
"815025"	146.1307	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M"	0
"985279"	127.11231	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-H2O-H"	-19.01839
"74617"	96.4131906666667	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M-3H"	-3.021828
"511991"	145.123424	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M-3H"	-3.021828
"886510"	47.7029573333333	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-3H"	-3.021828
"11644"	145.123424	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M-2H"	-2.014552
"445738"	218.188774	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M-2H"	-2.014552
"823538"	72.058074	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-2H"	-2.014552
"83531"	291.254124	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M-H"	-1.007276
"528561"	437.384824	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M-H"	-1.007276
"898707"	145.123424	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-H"	-1.007276
"58551"	308.280671	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M-2H+NH4"	16.019271
"490457"	454.411371	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M-2H+NH4"	16.019271
"878832"	162.149971	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-2H+NH4"	16.019271
"41628"	313.236066	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M-2H+Na"	20.974666
"482283"	459.366766	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M-2H+Na"	20.974666
"856804"	167.105366	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-2H+Na"	20.974666
"1629618"	167.105366	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Na-2H"	20.974666
"109553"	163.111763	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M-H+Cl"	33.962126
"547530"	236.177113	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M-H+Cl"	33.962126
"937034"	90.046413	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-H+Cl"	33.962126
"279971"	327.230802	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+Cl"	34.969402
"668025"	473.361502	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+Cl"	34.969402
"1281520"	181.100102	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Cl"	34.969402
"27361"	329.210006	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M-2H+K"	36.948606
"463636"	475.340706	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M-2H+K"	36.948606
"841437"	183.079306	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-2H+K"	36.948606
"1559459"	183.079306	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+K-2H"	36.948606
"946249"	191.128894	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-H+HCOOH"	44.998194
"365558"	337.259601	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+HCOOH-H"	44.998201
"356005"	351.275251	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+Hac-H"	59.013851
"1505567"	205.144551	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Hac-H"	59.013851
"969098"	213.110851	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-H+NaCOOH"	66.980151
"124450"	181.100102	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+2Cl"	69.938804
"560848"	254.165452	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+2Cl"	69.938804
"1032928"	108.034752	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2Cl"	69.938804
"1248131"	225.049585	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Br"	78.918885
"1313861"	227.105572	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Cl+HCOOH"	80.974872
"1331359"	249.087529	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Cl+NaCOOH"	102.956829
"922417"	259.116286	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M-H+CF3COOH"	112.985586
"1301313"	295.092964	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Cl+CF3COOH"	148.962264
"1380933"	111.118024	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H-2H2O"	-35.012676
"1395878"	129.128	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H-H2O"	-17.0027
"290098"	293.268676	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+H"	1.007276
"685801"	439.399376	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+H"	1.007276
"1362149"	147.137976	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H"	1.007276
"137592"	147.137976	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+2H"	2.014552
"572413"	220.203326	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+2H"	2.014552
"1048866"	74.072626	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2H"	2.014552
"212393"	98.4277426666667	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+3H"	3.021828
"654140"	147.137976	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+3H"	3.021828
"1169349"	49.7175093333333	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+3H"	3.021828
"436999"	310.295223	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+NH4"	18.033823
"796535"	456.425923	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+NH4"	18.033823
"1691773"	164.164523	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+NH4"	18.033823
"342240"	155.6512495	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+H+NH4"	19.041099
"730286"	228.7165995	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+H+NH4"	19.041099
"1488482"	82.5858995	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H+NH4"	19.041099
"401693"	315.250618	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+Na"	22.989218
"763782"	461.381318	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+Na"	22.989218
"1612974"	169.119918	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Na"	22.989218
"320825"	158.128947	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+H+Na"	23.996494
"712153"	231.194297	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+H+Na"	23.996494
"1465975"	85.063597	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H+Na"	23.996494
"1058125"	57.0448233333333	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2H+Na"	25.00377
"1263084"	179.164186	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+CH3OH+H"	33.033486
"387127"	331.224558	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+K"	38.963158
"751403"	477.355258	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+K"	38.963158
"1544709"	185.093858	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+K"	38.963158
"307352"	166.115917	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+H+K"	39.970434
"699773"	239.181267	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+H+K"	39.970434
"1452502"	93.050567	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H+K"	39.970434
"247666"	334.295226	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+ACN+H"	42.033826
"1222198"	188.164526	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+ACN+H"	42.033826
"1203167"	94.585901	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+ACN+2H"	43.041102
"200047"	337.23256	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+2Na-H"	44.97116
"641064"	483.36326	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+2Na-H"	44.97116
"1142018"	191.10186	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2Na-H"	44.97116
"179845"	169.119918	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+2Na"	45.978436
"621961"	242.185268	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+2Na"	45.978436
"1126561"	96.054568	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2Na"	45.978436
"1411180"	64.3721373333333	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H+2Na"	46.985712
"1445509"	193.143446	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H+HCOOH"	47.012746
"233727"	174.15294	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+3H2O+2H"	56.04448
"1518871"	207.19549	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+IsoProp+H"	61.06479
"418558"	177.106888	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+Na+K"	61.952376
"782834"	250.172238	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+Na+K"	61.952376
"1679165"	104.041538	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Na+K"	61.952376
"263499"	356.277168	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+ACN+Na"	64.015768
"1238032"	210.146468	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+ACN+Na"	64.015768
"1721812"	210.169993	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+NH4+HCOOH"	64.039293
"1186073"	71.6994513333333	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+3Na"	68.967654
"1657058"	215.125388	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Na+HCOOH"	68.994688
"165012"	369.18044	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+2K-H"	76.91904
"605665"	515.31114	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+2K-H"	76.91904
"1090542"	223.04974	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2K-H"	76.91904
"144081"	185.093858	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"2M+2K"	77.926316
"584372"	258.159208	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"3M+2K"	77.926316
"1071072"	112.028508	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2K"	77.926316
"1104282"	225.064292	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2K+H"	78.933592
"1339574"	225.151907	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+DMSO+H"	79.021207
"1011381"	229.191076	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2ACN+H"	83.060376
"1531693"	230.184708	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+IsoProp+Na+H"	84.054008
"994860"	115.099176	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+2ACN+2H"	84.067652
"1590462"	231.099328	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+K+HCOOH"	84.968628
"1421589"	261.130838	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+H+CF3COOH"	115.000138
"1149325"	135.612451	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+3ACN+2H"	125.094202
"1705805"	278.157385	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+NH4+CF3COOH"	132.026685
"1645831"	283.11278	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+Na+CF3COOH"	136.98208
"1578201"	299.08672	"C14271"	"Ethohexadiol;2-Ethyl-13-hexanediol"	"C8H18O2"	"146.1307"	"M+K+CF3COOH"	152.95602
"815499"	128.1201	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M"	0
"988303"	109.10171	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-H2O-H"	-19.01839
"75819"	84.406124	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M-3H"	-3.021828
"512101"	127.112824	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M-3H"	-3.021828
"893180"	41.699424	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-3H"	-3.021828
"11754"	127.112824	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M-2H"	-2.014552
"445848"	191.172874	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M-2H"	-2.014552
"826928"	63.052774	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-2H"	-2.014552
"84734"	255.232924	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M-H"	-1.007276
"531587"	383.353024	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M-H"	-1.007276
"901003"	127.112824	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-H"	-1.007276
"58661"	272.259471	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M-2H+NH4"	16.019271
"492754"	400.379571	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M-2H+NH4"	16.019271
"879308"	144.139371	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-2H+NH4"	16.019271
"41738"	277.214866	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M-2H+Na"	20.974666
"485067"	405.334966	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M-2H+Na"	20.974666
"856914"	149.094766	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-2H+Na"	20.974666
"1630457"	149.094766	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Na-2H"	20.974666
"109052"	145.101163	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M-H+Cl"	33.962126
"548004"	209.161213	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M-H+Cl"	33.962126
"937145"	81.041113	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-H+Cl"	33.962126
"279717"	291.209602	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+Cl"	34.969402
"667042"	419.329702	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+Cl"	34.969402
"1281630"	163.089502	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Cl"	34.969402
"26377"	293.188806	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M-2H+K"	36.948606
"459377"	421.308906	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M-2H+K"	36.948606
"838267"	165.068706	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-2H+K"	36.948606
"1561756"	165.068706	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+K-2H"	36.948606
"945265"	173.118294	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-H+HCOOH"	44.998194
"364575"	301.238401	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+HCOOH-H"	44.998201
"351742"	315.254051	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+Hac-H"	59.013851
"1503854"	187.133951	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Hac-H"	59.013851
"964834"	195.100251	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-H+NaCOOH"	66.980151
"123583"	163.089502	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+2Cl"	69.938804
"558771"	227.149552	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+2Cl"	69.938804
"1027571"	99.029452	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2Cl"	69.938804
"1247148"	207.038985	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Br"	78.918885
"1311783"	209.094972	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Cl+HCOOH"	80.974872
"1333291"	231.076929	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Cl+NaCOOH"	102.956829
"923621"	241.105686	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M-H+CF3COOH"	112.985586
"1303571"	277.082364	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Cl+CF3COOH"	148.962264
"1381408"	93.107424	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H-2H2O"	-35.012676
"1394894"	111.1174	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H-H2O"	-17.0027
"290208"	257.247476	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+H"	1.007276
"684818"	385.367576	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+H"	1.007276
"1365540"	129.127376	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H"	1.007276
"138796"	129.127376	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+2H"	2.014552
"572524"	193.187426	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+2H"	2.014552
"1050071"	65.067326	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2H"	2.014552
"211410"	86.420676	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+3H"	3.021828
"654250"	129.127376	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+3H"	3.021828
"1172376"	43.713976	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+3H"	3.021828
"432371"	274.274023	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+NH4"	18.033823
"795553"	402.394123	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+NH4"	18.033823
"1692613"	146.153923	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+NH4"	18.033823
"341257"	137.6406495	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+H+NH4"	19.041099
"730759"	201.7006995	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+H+NH4"	19.041099
"1485310"	73.5805995	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H+NH4"	19.041099
"401803"	279.229418	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+Na"	22.989218
"762798"	407.349518	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+Na"	22.989218
"1609805"	151.109318	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Na"	22.989218
"319842"	140.118347	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+H+Na"	23.996494
"711170"	204.178397	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+H+Na"	23.996494
"1462803"	76.058297	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H+Na"	23.996494
"1058235"	51.04129	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2H+Na"	25.00377
"1261007"	161.153586	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+CH3OH+H"	33.033486
"385050"	295.203358	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+K"	38.963158
"744952"	423.323458	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+K"	38.963158
"1542632"	167.083258	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+K"	38.963158
"306369"	148.105317	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+H+K"	39.970434
"696602"	212.165367	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+H+K"	39.970434
"1451519"	84.045267	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H+K"	39.970434
"249599"	298.274026	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+ACN+H"	42.033826
"1220485"	170.153926	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+ACN+H"	42.033826
"1205464"	85.580601	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+ACN+2H"	43.041102
"200157"	301.21136	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+2Na-H"	44.97116
"640080"	429.33146	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+2Na-H"	44.97116
"1138487"	173.09126	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2Na-H"	44.97116
"178861"	151.109318	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+2Na"	45.978436
"618789"	215.169368	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+2Na"	45.978436
"1128858"	87.049268	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2Na"	45.978436
"1413601"	58.368604	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H+2Na"	46.985712
"1445446"	175.132846	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H+HCOOH"	47.012746
"235557"	156.14234	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+3H2O+2H"	56.04448
"1520074"	189.18489	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+IsoProp+H"	61.06479
"420855"	159.096288	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+Na+K"	61.952376
"782944"	223.156338	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+Na+K"	61.952376
"1680248"	95.036238	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Na+K"	61.952376
"260330"	320.255968	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+ACN+Na"	64.015768
"1239236"	192.135868	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+ACN+Na"	64.015768
"1718643"	192.159393	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+NH4+HCOOH"	64.039293
"1187279"	65.695918	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+3Na"	68.967654
"1654983"	197.114788	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Na+HCOOH"	68.994688
"161844"	333.15924	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+2K-H"	76.91904
"599583"	461.27934	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+2K-H"	76.91904
"1086646"	205.03914	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2K-H"	76.91904
"144920"	167.083258	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"2M+2K"	77.926316
"586667"	231.143308	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"3M+2K"	77.926316
"1072274"	103.023208	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2K"	77.926316
"1104391"	207.053692	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2K+H"	78.933592
"1341869"	207.141307	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+DMSO+H"	79.021207
"1012584"	211.180476	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2ACN+H"	83.060376
"1529616"	212.174108	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+IsoProp+Na+H"	84.054008
"996063"	106.093876	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+2ACN+2H"	84.067652
"1590572"	213.088728	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+K+HCOOH"	84.968628
"1421699"	243.120238	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+H+CF3COOH"	115.000138
"1149071"	126.607151	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+3ACN+2H"	125.094202
"1705916"	260.146785	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+NH4+CF3COOH"	132.026685
"1643755"	265.10218	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+Na+CF3COOH"	136.98208
"1578311"	281.07612	"C14272"	"1-Octen-3-ol"	"C8H16O"	"128.1201"	"M+K+CF3COOH"	152.95602
"815244"	146.1307	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M"	0
"989429"	127.11231	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-H2O-H"	-19.01839
"76659"	96.4131906666667	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M-3H"	-3.021828
"512211"	145.123424	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M-3H"	-3.021828
"887825"	47.7029573333333	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-3H"	-3.021828
"12597"	145.123424	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M-2H"	-2.014552
"451427"	218.188774	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M-2H"	-2.014552
"831294"	72.058074	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-2H"	-2.014552
"89949"	291.254124	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M-H"	-1.007276
"533771"	437.384824	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M-H"	-1.007276
"909379"	145.123424	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-H"	-1.007276
"62177"	308.280671	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M-2H+NH4"	16.019271
"498332"	454.411371	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M-2H+NH4"	16.019271
"878688"	162.149971	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-2H+NH4"	16.019271
"46550"	313.236066	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M-2H+Na"	20.974666
"484813"	459.366766	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M-2H+Na"	20.974666
"857025"	167.105366	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-2H+Na"	20.974666
"1627651"	167.105366	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Na-2H"	20.974666
"107339"	163.111763	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M-H+Cl"	33.962126
"545926"	236.177113	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M-H+Cl"	33.962126
"932880"	90.046413	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-H+Cl"	33.962126
"278007"	327.230802	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+Cl"	34.969402
"669339"	473.361502	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+Cl"	34.969402
"1283931"	181.100102	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Cl"	34.969402
"26488"	329.210006	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M-2H+K"	36.948606
"458024"	475.340706	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M-2H+K"	36.948606
"836189"	183.079306	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-2H+K"	36.948606
"1559678"	183.079306	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+K-2H"	36.948606
"946471"	191.128894	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-H+HCOOH"	44.998194
"366873"	337.259601	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+HCOOH-H"	44.998201
"355133"	351.275251	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+Hac-H"	59.013851
"1501777"	205.144551	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Hac-H"	59.013851
"968958"	213.110851	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-H+NaCOOH"	66.980151
"123332"	181.100102	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+2Cl"	69.938804
"556696"	254.165452	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+2Cl"	69.938804
"1026587"	108.034752	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2Cl"	69.938804
"1248350"	225.049585	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Br"	78.918885
"1314079"	227.105572	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Cl+HCOOH"	80.974872
"1334620"	249.087529	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Cl+NaCOOH"	102.956829
"923732"	259.116286	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M-H+CF3COOH"	112.985586
"1303481"	295.092964	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Cl+CF3COOH"	148.962264
"1379695"	111.118024	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H-2H2O"	-35.012676
"1395006"	129.128	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H-H2O"	-17.0027
"291413"	293.268676	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+H"	1.007276
"686022"	439.399376	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+H"	1.007276
"1356904"	147.137976	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H"	1.007276
"129793"	147.137976	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+2H"	2.014552
"568626"	220.203326	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+2H"	2.014552
"1044714"	74.072626	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2H"	2.014552
"210792"	98.4277426666667	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+3H"	3.021828
"653266"	147.137976	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+3H"	3.021828
"1173582"	49.7175093333333	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+3H"	3.021828
"432479"	310.295223	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+NH4"	18.033823
"795663"	456.425923	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+NH4"	18.033823
"1689805"	164.164523	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+NH4"	18.033823
"339180"	155.6512495	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+H+NH4"	19.041099
"729413"	228.7165995	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+H+NH4"	19.041099
"1484327"	82.5858995	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H+NH4"	19.041099
"398633"	315.250618	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+Na"	22.989218
"761816"	461.381318	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+Na"	22.989218
"1608821"	169.119918	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Na"	22.989218
"322139"	158.128947	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+H+Na"	23.996494
"712374"	231.194297	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+H+Na"	23.996494
"1463277"	85.063597	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H+Na"	23.996494
"1060534"	57.0448233333333	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2H+Na"	25.00377
"1262212"	179.164186	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+CH3OH+H"	33.033486
"387347"	331.224558	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+K"	38.963158
"745063"	477.355258	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+K"	38.963158
"1544931"	185.093858	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+K"	38.963158
"304294"	166.115917	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+H+K"	39.970434
"702182"	239.181267	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+H+K"	39.970434
"1460504"	93.050567	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H+K"	39.970434
"246794"	334.295226	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+ACN+H"	42.033826
"1222783"	188.164526	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+ACN+H"	42.033826
"1208251"	94.585901	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+ACN+2H"	43.041102
"196258"	337.23256	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+2Na-H"	44.97116
"640190"	483.36326	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+2Na-H"	44.97116
"1142603"	191.10186	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2Na-H"	44.97116
"183341"	169.119918	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+2Na"	45.978436
"617805"	242.185268	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+2Na"	45.978436
"1130681"	96.054568	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2Na"	45.978436
"1414045"	64.3721373333333	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H+2Na"	46.985712
"1443165"	193.143446	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H+HCOOH"	47.012746
"232124"	174.15294	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+3H2O+2H"	56.04448
"1514719"	207.19549	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+IsoProp+H"	61.06479
"420968"	177.106888	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+Na+K"	61.952376
"783419"	250.172238	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+Na+K"	61.952376
"1679393"	104.041538	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Na+K"	61.952376
"261535"	356.277168	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+ACN+Na"	64.015768
"1239711"	210.146468	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+ACN+Na"	64.015768
"1717661"	210.169993	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+NH4+HCOOH"	64.039293
"1186661"	71.6994513333333	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+3Na"	68.967654
"1654363"	215.125388	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Na+HCOOH"	68.994688
"160862"	369.18044	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+2K-H"	76.91904
"603705"	515.31114	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+2K-H"	76.91904
"1085665"	223.04974	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2K-H"	76.91904
"145030"	185.093858	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"2M+2K"	77.926316
"586780"	258.159208	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"3M+2K"	77.926316
"1073477"	112.028508	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2K"	77.926316
"1103405"	225.064292	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2K+H"	78.933592
"1339792"	225.151907	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+DMSO+H"	79.021207
"1010509"	229.191076	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2ACN+H"	83.060376
"1527540"	230.184708	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+IsoProp+Na+H"	84.054008
"993990"	115.099176	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+2ACN+2H"	84.067652
"1595056"	231.099328	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+K+HCOOH"	84.968628
"1423997"	261.130838	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+H+CF3COOH"	115.000138
"1153192"	135.612451	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+3ACN+2H"	125.094202
"1706026"	278.157385	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+NH4+CF3COOH"	132.026685
"1644958"	283.11278	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+Na+CF3COOH"	136.98208
"1578421"	299.08672	"C14273"	"12-Octanediol;12-Dihydroxyoctane"	"C8H18O2"	"146.1307"	"M+K+CF3COOH"	152.95602
"815354"	236.1412	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M"	0
"989496"	217.12281	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-H2O-H"	-19.01839
"77129"	156.420190666667	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M-3H"	-3.021828
"517418"	235.133924	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M-3H"	-3.021828
"892309"	77.7064573333333	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-3H"	-3.021828
"11978"	235.133924	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M-2H"	-2.014552
"451537"	353.204524	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M-2H"	-2.014552
"826057"	117.063324	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-2H"	-2.014552
"88236"	471.275124	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M-H"	-1.007276
"532052"	707.416324	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M-H"	-1.007276
"910583"	235.133924	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-H"	-1.007276
"58882"	488.301671	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M-2H+NH4"	16.019271
"499535"	724.442871	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M-2H+NH4"	16.019271
"876244"	252.160471	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-2H+NH4"	16.019271
"41958"	493.257066	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M-2H+Na"	20.974666
"480426"	729.398266	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M-2H+Na"	20.974666
"857135"	257.115866	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-2H+Na"	20.974666
"1627761"	257.115866	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Na-2H"	20.974666
"107570"	253.122263	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M-H+Cl"	33.962126
"548224"	371.192863	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M-H+Cl"	33.962126
"935177"	135.051663	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-H+Cl"	33.962126
"277024"	507.251802	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+Cl"	34.969402
"671633"	743.393002	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+Cl"	34.969402
"1282948"	271.110602	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Cl"	34.969402
"26597"	509.231006	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M-2H+K"	36.948606
"457406"	745.372206	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M-2H+K"	36.948606
"833302"	273.089806	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-2H+K"	36.948606
"1558697"	273.089806	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+K-2H"	36.948606
"943421"	281.139394	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-H+HCOOH"	44.998194
"362363"	517.280601	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+HCOOH-H"	44.998201
"355243"	531.296251	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+Hac-H"	59.013851
"1498607"	295.155051	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Hac-H"	59.013851
"970161"	303.121351	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-H+NaCOOH"	66.980151
"123441"	271.110602	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+2Cl"	69.938804
"552067"	389.181202	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+2Cl"	69.938804
"1029976"	153.040002	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2Cl"	69.938804
"1247367"	315.060085	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Br"	78.918885
"1314190"	317.116072	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Cl+HCOOH"	80.974872
"1334000"	339.098029	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Cl+NaCOOH"	102.956829
"924573"	349.126786	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M-H+CF3COOH"	112.985586
"1303348"	385.103464	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Cl+CF3COOH"	148.962264
"1377619"	201.128524	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H-2H2O"	-35.012676
"1391836"	219.1385	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H-H2O"	-17.0027
"290430"	473.289676	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+H"	1.007276
"683945"	709.430876	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+H"	1.007276
"1361388"	237.148476	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H"	1.007276
"130997"	237.148476	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+2H"	2.014552
"572745"	355.219076	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+2H"	2.014552
"1049197"	119.077876	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2H"	2.014552
"210536"	158.434742666667	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+3H"	3.021828
"653740"	237.148476	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+3H"	3.021828
"1173692"	79.7210093333333	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+3H"	3.021828
"434779"	490.316223	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+NH4"	18.033823
"796866"	726.457423	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+NH4"	18.033823
"1692104"	254.175023	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+NH4"	18.033823
"339290"	245.6617495	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+H+NH4"	19.041099
"732803"	363.7323495	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+H+NH4"	19.041099
"1484437"	127.5911495	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H+NH4"	19.041099
"398743"	495.271618	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+Na"	22.989218
"764111"	731.412818	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+Na"	22.989218
"1608931"	259.130418	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Na"	22.989218
"322250"	248.139447	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+H+Na"	23.996494
"714671"	366.210047	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+H+Na"	23.996494
"1467401"	130.068847	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H+Na"	23.996494
"1059550"	87.0483233333333	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2H+Na"	25.00377
"1264509"	269.174686	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+CH3OH+H"	33.033486
"388550"	511.245558	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+K"	38.963158
"747360"	747.386758	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+K"	38.963158
"1548321"	275.104358	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+K"	38.963158
"303311"	256.126417	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+H+K"	39.970434
"699013"	374.197017	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+H+K"	39.970434
"1457208"	138.055817	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H+K"	39.970434
"242529"	514.316226	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+ACN+H"	42.033826
"1223259"	278.175026	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+ACN+H"	42.033826
"1208236"	139.591151	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+ACN+2H"	43.041102
"198553"	517.25356	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+2Na-H"	44.97116
"639209"	753.39476	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+2Na-H"	44.97116
"1140527"	281.11236	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2Na-H"	44.97116
"181633"	259.130418	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+2Na"	45.978436
"618277"	377.201018	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+2Na"	45.978436
"1130305"	141.059818	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2Na"	45.978436
"1411889"	94.3756373333333	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H+2Na"	46.985712
"1444002"	283.153946	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H+HCOOH"	47.012746
"224579"	264.16344	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+3H2O+2H"	56.04448
"1513734"	297.20599	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+IsoProp+H"	61.06479
"419983"	267.117388	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+Na+K"	61.952376
"783163"	385.187988	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+Na+K"	61.952376
"1679618"	149.046788	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Na+K"	61.952376
"264195"	536.298168	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+ACN+Na"	64.015768
"1239092"	300.156968	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+ACN+Na"	64.015768
"1723233"	300.180493	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+NH4+HCOOH"	64.039293
"1189687"	101.702951333333	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+3Na"	68.967654
"1654838"	305.135888	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Na+HCOOH"	68.994688
"162067"	549.20144	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+2K-H"	76.91904
"602722"	785.34264	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+2K-H"	76.91904
"1085046"	313.06024	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2K-H"	76.91904
"142226"	275.104358	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"2M+2K"	77.926316
"586890"	393.174958	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"3M+2K"	77.926316
"1071402"	157.033758	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2K"	77.926316
"1102425"	315.074792	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2K+H"	78.933592
"1339903"	315.162407	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+DMSO+H"	79.021207
"1009528"	319.201576	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2ACN+H"	83.060376
"1527651"	320.195208	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+IsoProp+Na+H"	84.054008
"995193"	160.104426	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+2ACN+2H"	84.067652
"1596260"	321.109828	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+K+HCOOH"	84.968628
"1425200"	351.141338	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+H+CF3COOH"	115.000138
"1156582"	180.617701	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+3ACN+2H"	125.094202
"1706136"	368.167885	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+NH4+CF3COOH"	132.026685
"1645068"	373.12328	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+Na+CF3COOH"	136.98208
"1578531"	389.09722	"C14274"	"4-Heptyloxybenzoic acid"	"C14H20O3"	"236.1412"	"M+K+CF3COOH"	152.95602
"816194"	68.0262	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M"	0
"989406"	49.00781	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-H2O-H"	-19.01839
"77483"	44.343524	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M-3H"	-3.021828
"518059"	67.018924	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M-3H"	-3.021828
"889139"	21.668124	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-3H"	-3.021828
"10994"	67.018924	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M-2H"	-2.014552
"451647"	101.032024	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M-2H"	-2.014552
"827260"	33.005824	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-2H"	-2.014552
"89438"	135.045124	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M-H"	-1.007276
"529001"	203.071324	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M-H"	-1.007276
"903522"	67.018924	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-H"	-1.007276
"57899"	152.071671	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M-2H+NH4"	16.019271
"493084"	220.097871	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M-2H+NH4"	16.019271
"868699"	84.045471	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-2H+NH4"	16.019271
"35507"	157.027066	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M-2H+Na"	20.974666
"479443"	225.053266	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M-2H+Na"	20.974666
"860524"	89.000866	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-2H+Na"	20.974666
"1623496"	89.000866	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Na-2H"	20.974666
"106587"	85.007263	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M-H+Cl"	33.962126
"543960"	119.020363	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M-H+Cl"	33.962126
"935288"	50.994163	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-H+Cl"	33.962126
"278226"	171.021802	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+Cl"	34.969402
"669556"	239.048002	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+Cl"	34.969402
"1283057"	102.995602	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Cl"	34.969402
"20147"	173.001006	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M-2H+K"	36.948606
"459701"	241.027206	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M-2H+K"	36.948606
"837502"	104.974806	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-2H+K"	36.948606
"1560993"	104.974806	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+K-2H"	36.948606
"944502"	113.024394	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-H+HCOOH"	44.998194
"362231"	181.050601	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+HCOOH-H"	44.998201
"352073"	195.066251	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+Hac-H"	59.013851
"1498717"	127.040051	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Hac-H"	59.013851
"969540"	135.006351	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-H+NaCOOH"	66.980151
"122821"	102.995602	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+2Cl"	69.938804
"550719"	137.008702	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+2Cl"	69.938804
"1030086"	68.982502	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2Cl"	69.938804
"1246383"	146.945085	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Br"	78.918885
"1311020"	149.001072	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Cl+HCOOH"	80.974872
"1328520"	170.983029	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Cl+NaCOOH"	102.956829
"923952"	181.011786	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M-H+CF3COOH"	112.985586
"1300296"	216.988464	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Cl+CF3COOH"	148.962264
"1378821"	33.013524	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H-2H2O"	-35.012676
"1391946"	51.0235	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H-H2O"	-17.0027
"290540"	137.059676	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+H"	1.007276
"684054"	205.085876	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+H"	1.007276
"1356030"	69.033476	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H"	1.007276
"131107"	69.033476	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+2H"	2.014552
"568115"	103.046576	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+2H"	2.014552
"1042382"	35.020376	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2H"	2.014552
"209553"	46.358076	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+3H"	3.021828
"651665"	69.033476	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+3H"	3.021828
"1174895"	23.682676	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+3H"	3.021828
"437074"	154.086223	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+NH4"	18.033823
"796977"	222.112423	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+NH4"	18.033823
"1693308"	86.060023	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+NH4"	18.033823
"340493"	77.5467495	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+H+NH4"	19.041099
"732914"	111.5598495	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+H+NH4"	19.041099
"1487828"	43.5336495	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H+NH4"	19.041099
"398854"	159.041618	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+Na"	22.989218
"762035"	227.067818	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+Na"	22.989218
"1611227"	91.015418	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Na"	22.989218
"323453"	80.024447	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+H+Na"	23.996494
"714781"	114.037547	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+H+Na"	23.996494
"1471884"	46.011347	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H+Na"	23.996494
"1061846"	31.00999	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2H+Na"	25.00377
"1266805"	101.059686	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+CH3OH+H"	33.033486
"389753"	175.015558	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+K"	38.963158
"748563"	243.041758	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+K"	38.963158
"1548431"	106.989358	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+K"	38.963158
"305607"	88.011417	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+H+K"	39.970434
"701309"	122.024517	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+H+K"	39.970434
"1456225"	53.998317	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H+K"	39.970434
"242639"	178.086226	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+ACN+H"	42.033826
"1221546"	110.060026	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+ACN+H"	42.033826
"1206158"	55.533651	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+ACN+2H"	43.041102
"196478"	181.02356	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+2Na-H"	44.97116
"636039"	249.04976	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+2Na-H"	44.97116
"1139545"	112.99736	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2Na-H"	44.97116
"178463"	91.015418	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+2Na"	45.978436
"617657"	125.028518	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+2Na"	45.978436
"1130173"	57.002318	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2Na"	45.978436
"1413571"	38.337304	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H+2Na"	46.985712
"1444474"	115.038946	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H+HCOOH"	47.012746
"226876"	96.04844	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+3H2O+2H"	56.04448
"1513845"	129.09099	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+IsoProp+H"	61.06479
"420093"	99.002388	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+Na+K"	61.952376
"781086"	133.015488	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+Na+K"	61.952376
"1679970"	64.989288	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Na+K"	61.952376
"264670"	200.068168	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+ACN+Na"	64.015768
"1238473"	132.041968	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+ACN+Na"	64.015768
"1723343"	132.065493	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+NH4+HCOOH"	64.039293
"1189068"	45.664618	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+3Na"	68.967654
"1655314"	137.020888	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Na+HCOOH"	68.994688
"162177"	212.97144	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+2K-H"	76.91904
"601739"	280.99764	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+2K-H"	76.91904
"1085157"	144.94524	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2K-H"	76.91904
"144159"	106.989358	"C14275"	"Furan"	"C4H4O"	"68.0262"	"2M+2K"	77.926316
"587000"	141.002458	"C14275"	"Furan"	"C4H4O"	"68.0262"	"3M+2K"	77.926316
"1070420"	72.976258	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2K"	77.926316
"1103629"	146.959792	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2K+H"	78.933592
"1343295"	147.047407	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+DMSO+H"	79.021207
"1012915"	151.086576	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2ACN+H"	83.060376
"1527761"	152.080208	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+IsoProp+Na+H"	84.054008
"995302"	76.046926	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+2ACN+2H"	84.067652
"1591990"	152.994828	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+K+HCOOH"	84.968628
"1425310"	183.026338	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+H+CF3COOH"	115.000138
"1156692"	96.560201	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+3ACN+2H"	125.094202
"1707339"	200.052885	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+NH4+CF3COOH"	132.026685
"1646271"	205.00828	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+Na+CF3COOH"	136.98208
"1578641"	220.98222	"C14275"	"Furan"	"C4H4O"	"68.0262"	"M+K+CF3COOH"	152.95602
"814846"	328.1827	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M"	0
"989562"	309.16431	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-H2O-H"	-19.01839
"77715"	217.781190666667	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M-3H"	-3.021828
"518004"	327.175424	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M-3H"	-3.021828
"891436"	108.386957333333	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-3H"	-3.021828
"13291"	327.175424	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M-2H"	-2.014552
"449571"	491.266774	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M-2H"	-2.014552
"826277"	163.084074	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-2H"	-2.014552
"88455"	655.358124	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M-H"	-1.007276
"525831"	983.540824	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M-H"	-1.007276
"903632"	327.175424	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-H"	-1.007276
"55822"	672.384671	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M-2H+NH4"	16.019271
"493194"	1000.567371	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M-2H+NH4"	16.019271
"866743"	344.201971	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-2H+NH4"	16.019271
"35617"	677.340066	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M-2H+Na"	20.974666
"476637"	1005.522766	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M-2H+Na"	20.974666
"858447"	349.157366	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-2H+Na"	20.974666
"1622513"	349.157366	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Na-2H"	20.974666
"106697"	345.163763	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M-H+Cl"	33.962126
"542977"	509.255113	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M-H+Cl"	33.962126
"935398"	181.072413	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-H+Cl"	33.962126
"279429"	691.334802	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+Cl"	34.969402
"669666"	1019.517502	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+Cl"	34.969402
"1280979"	363.152102	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Cl"	34.969402
"25724"	693.314006	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M-2H+K"	36.948606
"463094"	1021.496706	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M-2H+K"	36.948606
"838705"	365.131306	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-2H+K"	36.948606
"1560009"	365.131306	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+K-2H"	36.948606
"945705"	373.180894	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-H+HCOOH"	44.998194
"366106"	701.363601	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+HCOOH-H"	44.998201
"349629"	715.379251	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+Hac-H"	59.013851
"1494207"	387.196551	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Hac-H"	59.013851
"966370"	395.162851	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-H+NaCOOH"	66.980151
"121838"	363.152102	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+2Cl"	69.938804
"560307"	527.243452	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+2Cl"	69.938804
"1026916"	199.060752	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2Cl"	69.938804
"1246492"	407.101585	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Br"	78.918885
"1307850"	409.157572	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Cl+HCOOH"	80.974872
"1323162"	431.139529	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Cl+NaCOOH"	102.956829
"919689"	441.168286	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M-H+CF3COOH"	112.985586
"1297489"	477.144964	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Cl+CF3COOH"	148.962264
"1378932"	293.170024	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H-2H2O"	-35.012676
"1389869"	311.18	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H-H2O"	-17.0027
"285547"	657.372676	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+H"	1.007276
"681612"	985.555376	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+H"	1.007276
"1354682"	329.189976	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H"	1.007276
"128299"	329.189976	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+2H"	2.014552
"568589"	493.281326	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+2H"	2.014552
"1045044"	165.098626	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2H"	2.014552
"206747"	219.795742666667	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+3H"	3.021828
"647037"	329.189976	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+3H"	3.021828
"1165162"	110.401509333333	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+3H"	3.021828
"432082"	674.399223	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+NH4"	18.033823
"791618"	1002.581923	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+NH4"	18.033823
"1690138"	346.216523	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+NH4"	18.033823
"334770"	337.7032495	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+H+NH4"	19.041099
"726098"	501.7945995	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+H+NH4"	19.041099
"1482472"	173.6118995	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H+NH4"	19.041099
"397871"	679.354618	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+Na"	22.989218
"757771"	1007.537318	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+Na"	22.989218
"1606964"	351.171918	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Na"	22.989218
"314691"	340.180947	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+H+Na"	23.996494
"710517"	504.272297	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+H+Na"	23.996494
"1463610"	176.089597	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H+Na"	23.996494
"1055760"	117.728823333333	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2H+Na"	25.00377
"1263634"	361.216186	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+CH3OH+H"	33.033486
"386582"	695.328558	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+K"	38.963158
"748672"	1023.511258	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+K"	38.963158
"1544164"	367.145858	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+K"	38.963158
"302437"	348.167917	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+H+K"	39.970434
"695952"	512.259267	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+H+K"	39.970434
"1455241"	184.076567	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H+K"	39.970434
"239469"	698.399226	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+ACN+H"	42.033826
"1218738"	370.216526	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+ACN+H"	42.033826
"1203715"	185.611901	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+ACN+2H"	43.041102
"195493"	701.33656	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+2Na-H"	44.97116
"632870"	1029.51926	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+2Na-H"	44.97116
"1136375"	373.15386	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2Na-H"	44.97116
"177479"	351.171918	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+2Na"	45.978436
"615093"	515.263268	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+2Na"	45.978436
"1129299"	187.080568	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2Na"	45.978436
"1409541"	125.056137333333	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H+2Na"	46.985712
"1444218"	375.195446	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H+HCOOH"	47.012746
"228079"	356.20494	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+3H2O+2H"	56.04448
"1516141"	389.24749	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+IsoProp+H"	61.06479
"419108"	359.158888	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+Na+K"	61.952376
"781196"	523.250238	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+Na+K"	61.952376
"1679714"	195.067538	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Na+K"	61.952376
"266358"	720.381168	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+ACN+Na"	64.015768
"1240402"	392.198468	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+ACN+Na"	64.015768
"1723453"	392.221993	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+NH4+HCOOH"	64.039293
"1188812"	132.383451333333	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+3Na"	68.967654
"1653238"	397.177388	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Na+HCOOH"	68.994688
"162287"	733.28444	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+2K-H"	76.91904
"602942"	1061.46714	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+2K-H"	76.91904
"1086360"	405.10174	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2K-H"	76.91904
"143176"	367.145858	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"2M+2K"	77.926316
"583830"	531.237208	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"3M+2K"	77.926316
"1071621"	203.054508	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2K"	77.926316
"1102646"	407.116292	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2K+H"	78.933592
"1343405"	407.203907	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+DMSO+H"	79.021207
"1010839"	411.243076	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2ACN+H"	83.060376
"1525806"	412.236708	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+IsoProp+Na+H"	84.054008
"994319"	206.125176	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+2ACN+2H"	84.067652
"1591007"	413.151328	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+K+HCOOH"	84.968628
"1425420"	443.182838	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+H+CF3COOH"	115.000138
"1155709"	226.638451	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+3ACN+2H"	125.094202
"1707449"	460.209385	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+NH4+CF3COOH"	132.026685
"1644194"	465.16478	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+Na+CF3COOH"	136.98208
"1578751"	481.13872	"C14276"	"4-(35-Diphenylcyclohexyl)phenol"	"C24H24O"	"328.1827"	"M+K+CF3COOH"	152.95602
"816656"	224.1201	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M"	0
"989795"	205.10171	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-H2O-H"	-19.01839
"78070"	148.406124	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M-3H"	-3.021828
"518245"	223.112824	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M-3H"	-3.021828
"894584"	73.699424	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-3H"	-3.021828
"14130"	223.112824	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M-2H"	-2.014552
"450774"	335.172874	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M-2H"	-2.014552
"826387"	111.052774	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-2H"	-2.014552
"87471"	447.232924	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M-H"	-1.007276
"529221"	671.353024	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M-H"	-1.007276
"903742"	223.112824	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-H"	-1.007276
"59212"	464.259471	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M-2H+NH4"	16.019271
"496584"	688.379571	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M-2H+NH4"	16.019271
"870012"	240.139371	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-2H+NH4"	16.019271
"39007"	469.214866	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M-2H+Na"	20.974666
"479663"	693.334966	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M-2H+Na"	20.974666
"860744"	245.094766	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-2H+Na"	20.974666
"1624810"	245.094766	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Na-2H"	20.974666
"108873"	241.101163	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M-H+Cl"	33.962126
"547460"	353.161213	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M-H+Cl"	33.962126
"937695"	129.041113	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-H+Cl"	33.962126
"282376"	483.209602	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+Cl"	34.969402
"671600"	707.329702	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+Cl"	34.969402
"1279996"	259.089502	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Cl"	34.969402
"25835"	485.188806	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M-2H+K"	36.948606
"461020"	709.308906	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M-2H+K"	36.948606
"839911"	261.068706	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-2H+K"	36.948606
"1560487"	261.068706	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+K-2H"	36.948606
"945816"	269.118294	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-H+HCOOH"	44.998194
"365124"	493.238401	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+HCOOH-H"	44.998201
"351563"	507.254051	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+Hac-H"	59.013851
"1499664"	283.133951	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Hac-H"	59.013851
"969760"	291.100251	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-H+NaCOOH"	66.980151
"120854"	259.089502	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+2Cl"	69.938804
"560417"	371.149552	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+2Cl"	69.938804
"1025204"	147.029452	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2Cl"	69.938804
"1250980"	303.038985	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Br"	78.918885
"1309055"	305.094972	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Cl+HCOOH"	80.974872
"1327647"	327.076929	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Cl+NaCOOH"	102.956829
"923081"	337.105686	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M-H+CF3COOH"	112.985586
"1300881"	373.082364	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Cl+CF3COOH"	148.962264
"1379043"	189.107424	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H-2H2O"	-35.012676
"1392166"	207.1174	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H-H2O"	-17.0027
"294039"	449.247476	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+H"	1.007276
"684273"	673.367576	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+H"	1.007276
"1357345"	225.127376	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H"	1.007276
"130234"	225.127376	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+2H"	2.014552
"580000"	337.187426	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+2H"	2.014552
"1051352"	113.067326	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2H"	2.014552
"210139"	150.420676	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+3H"	3.021828
"653710"	225.127376	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+3H"	3.021828
"1169647"	75.713976	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+3H"	3.021828
"434014"	466.274023	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+NH4"	18.033823
"792823"	690.394123	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+NH4"	18.033823
"1692435"	242.153923	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+NH4"	18.033823
"338526"	233.6406495	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+H+NH4"	19.041099
"732041"	345.7006995	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+H+NH4"	19.041099
"1484769"	121.5805995	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H+NH4"	19.041099
"400168"	471.229418	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+Na"	22.989218
"757883"	695.349518	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+Na"	22.989218
"1605982"	247.109318	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Na"	22.989218
"317110"	236.118347	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+H+Na"	23.996494
"710627"	348.178397	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+H+Na"	23.996494
"1468822"	124.058297	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H+Na"	23.996494
"1060973"	83.04129	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2H+Na"	25.00377
"1265931"	257.153586	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+CH3OH+H"	33.033486
"386692"	487.203358	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+K"	38.963158
"746595"	711.323458	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+K"	38.963158
"1542455"	263.083258	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+K"	38.963158
"309107"	244.105317	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+H+K"	39.970434
"697154"	356.165367	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+H+K"	39.970434
"1455349"	132.045267	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H+K"	39.970434
"242860"	490.274026	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+ACN+H"	42.033826
"1217756"	266.153926	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+ACN+H"	42.033826
"1206744"	133.580601	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+ACN+2H"	43.041102
"195602"	493.21136	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+2Na-H"	44.97116
"636258"	717.33146	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+2Na-H"	44.97116
"1138669"	269.09126	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2Na-H"	44.97116
"186702"	247.109318	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+2Na"	45.978436
"622616"	359.169368	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+2Na"	45.978436
"1127950"	135.049268	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2Na"	45.978436
"1409651"	90.368604	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H+2Na"	46.985712
"1445349"	271.132846	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H+HCOOH"	47.012746
"233656"	252.14234	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+3H2O+2H"	56.04448
"1520625"	285.18489	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+IsoProp+H"	61.06479
"422498"	255.096288	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+Na+K"	61.952376
"785620"	367.156338	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+Na+K"	61.952376
"1681149"	143.036238	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Na+K"	61.952376
"266750"	512.255968	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+ACN+Na"	64.015768
"1240150"	288.135868	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+ACN+Na"	64.015768
"1723565"	288.159393	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+NH4+HCOOH"	64.039293
"1187828"	97.695918	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+3Na"	68.967654
"1658813"	293.114788	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Na+HCOOH"	68.994688
"161301"	525.15924	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+2K-H"	76.91904
"599771"	749.27934	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+2K-H"	76.91904
"1086469"	301.03914	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2K-H"	76.91904
"144378"	263.083258	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"2M+2K"	77.926316
"588313"	375.143308	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"3M+2K"	77.926316
"1070270"	151.023208	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2K"	77.926316
"1104941"	303.053692	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2K+H"	78.933592
"1344603"	303.141307	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+DMSO+H"	79.021207
"1014230"	307.180476	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2ACN+H"	83.060376
"1533447"	308.174108	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+IsoProp+Na+H"	84.054008
"1003178"	154.093876	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+2ACN+2H"	84.067652
"1599864"	309.088728	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+K+HCOOH"	84.968628
"1418969"	339.120238	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+H+CF3COOH"	115.000138
"1156912"	174.607151	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+3ACN+2H"	125.094202
"1707559"	356.146785	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+NH4+CF3COOH"	132.026685
"1644304"	361.10218	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+Na+CF3COOH"	136.98208
"1578861"	377.07612	"C14277"	"34-Diphenyltetrahydrofuran"	"C16H16O"	"224.1201"	"M+K+CF3COOH"	152.95602
"801691"	272.1565	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M"	0
"978381"	253.13811	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-H2O-H"	-19.01839
"66624"	180.430390666667	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M-3H"	-3.021828
"508374"	271.149224	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M-3H"	-3.021828
"881070"	89.7115573333333	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-3H"	-3.021828
"1597"	271.149224	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M-2H"	-2.014552
"442129"	407.227474	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M-2H"	-2.014552
"819930"	135.070974	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-2H"	-2.014552
"81016"	543.305724	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M-H"	-1.007276
"520579"	815.462224	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M-H"	-1.007276
"897286"	271.149224	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-H"	-1.007276
"54942"	560.332271	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M-2H+NH4"	16.019271
"494502"	832.488771	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M-2H+NH4"	16.019271
"870120"	288.175771	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-2H+NH4"	16.019271
"35833"	565.287666	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M-2H+Na"	20.974666
"479769"	837.444166	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M-2H+Na"	20.974666
"859757"	293.131166	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-2H+Na"	20.974666
"1628196"	293.131166	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Na-2H"	20.974666
"103634"	289.137563	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M-H+Cl"	33.962126
"542103"	425.215813	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M-H+Cl"	33.962126
"932338"	153.059313	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-H+Cl"	33.962126
"279649"	579.282402	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+Cl"	34.969402
"672073"	851.438902	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+Cl"	34.969402
"1284480"	307.125902	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Cl"	34.969402
"25945"	581.261606	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M-2H+K"	36.948606
"459308"	853.418106	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M-2H+K"	36.948606
"837834"	309.105106	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-2H+K"	36.948606
"1560597"	309.105106	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+K-2H"	36.948606
"945198"	317.154694	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-H+HCOOH"	44.998194
"365234"	589.311201	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+HCOOH-H"	44.998201
"348028"	603.326851	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+Hac-H"	59.013851
"1496859"	331.170351	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Hac-H"	59.013851
"966590"	339.136651	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-H+NaCOOH"	66.980151
"117684"	307.125902	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+2Cl"	69.938804
"557247"	443.204152	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+2Cl"	69.938804
"1022398"	171.047652	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2Cl"	69.938804
"1245623"	351.075385	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Br"	78.918885
"1314631"	353.131372	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Cl+HCOOH"	80.974872
"1321196"	375.113329	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Cl+NaCOOH"	102.956829
"923191"	385.142086	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M-H+CF3COOH"	112.985586
"1294431"	421.118764	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Cl+CF3COOH"	148.962264
"1374779"	237.143824	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H-2H2O"	-35.012676
"1388994"	255.1538	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H-H2O"	-17.0027
"287589"	545.320276	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+H"	1.007276
"682196"	817.476776	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+H"	1.007276
"1359642"	273.163776	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H"	1.007276
"131437"	273.163776	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+2H"	2.014552
"576464"	409.242026	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+2H"	2.014552
"1047454"	137.085526	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2H"	2.014552
"208791"	182.444942666667	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+3H"	3.021828
"651634"	273.163776	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+3H"	3.021828
"1169757"	91.7261093333333	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+3H"	3.021828
"433029"	562.346823	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+NH4"	18.033823
"794025"	834.503323	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+NH4"	18.033823
"1693274"	290.190323	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+NH4"	18.033823
"341918"	281.6770495	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+H+NH4"	19.041099
"729965"	417.7552995	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+H+NH4"	19.041099
"1489253"	145.5987995	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H+NH4"	19.041099
"400278"	567.302218	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+Na"	22.989218
"757993"	839.458718	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+Na"	22.989218
"1607185"	295.145718	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Na"	22.989218
"318313"	284.154747	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+H+Na"	23.996494
"714017"	420.232997	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+H+Na"	23.996494
"1465653"	148.076497	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H+Na"	23.996494
"1059990"	99.0534233333333	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2H+Na"	25.00377
"1267134"	305.189986	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+CH3OH+H"	33.033486
"388989"	583.276158	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+K"	38.963158
"748892"	855.432658	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+K"	38.963158
"1542198"	311.119658	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+K"	38.963158
"305937"	292.141717	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+H+K"	39.970434
"696171"	428.219967	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+H+K"	39.970434
"1453271"	156.063467	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H+K"	39.970434
"244064"	586.346826	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+ACN+H"	42.033826
"1218960"	314.190326	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+ACN+H"	42.033826
"1205397"	157.598801	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+ACN+2H"	43.041102
"197901"	589.28416	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+2Na-H"	44.97116
"633089"	861.44066	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+2Na-H"	44.97116
"1133317"	317.12766	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2Na-H"	44.97116
"176605"	295.145718	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+2Na"	45.978436
"619446"	431.223968	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+2Na"	45.978436
"1129519"	159.067468	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2Na"	45.978436
"1408668"	106.380737333333	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H+2Na"	46.985712
"1445536"	319.169246	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H+HCOOH"	47.012746
"230486"	300.17874	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+3H2O+2H"	56.04448
"1519642"	333.22129	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+IsoProp+H"	61.06479
"418234"	303.132688	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+Na+K"	61.952376
"783604"	439.210938	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+Na+K"	61.952376
"1678839"	167.054438	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Na+K"	61.952376
"266089"	608.328768	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+ACN+Na"	64.015768
"1238801"	336.172268	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+ACN+Na"	64.015768
"1723675"	336.195793	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+NH4+HCOOH"	64.039293
"1189032"	113.708051333333	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+3Na"	68.967654
"1660018"	341.151188	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Na+HCOOH"	68.994688
"160318"	621.23204	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+2K-H"	76.91904
"598662"	893.38854	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+2K-H"	76.91904
"1086579"	349.07554	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2K-H"	76.91904
"146673"	311.119658	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"2M+2K"	77.926316
"585143"	447.197908	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"3M+2K"	77.926316
"1070746"	175.041408	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2K"	77.926316
"1110153"	351.090092	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2K+H"	78.933592
"1343620"	351.177707	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+DMSO+H"	79.021207
"1017984"	355.216876	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2ACN+H"	83.060376
"1533556"	356.210508	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+IsoProp+Na+H"	84.054008
"1003651"	178.112076	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+2ACN+2H"	84.067652
"1602528"	357.125128	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+K+HCOOH"	84.968628
"1420172"	387.156638	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+H+CF3COOH"	115.000138
"1157022"	198.625351	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+3ACN+2H"	125.094202
"1707669"	404.183185	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+NH4+CF3COOH"	132.026685
"1644414"	409.13858	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+Na+CF3COOH"	136.98208
"1578971"	425.11252	"C14278"	"112-Triphenylpropane"	"C21H20"	"272.1565"	"M+K+CF3COOH"	152.95602
"803138"	96.0211	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M"	0
"977398"	77.00271	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-H2O-H"	-19.01839
"68921"	63.0067906666667	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M-3H"	-3.021828
"508484"	95.013824	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M-3H"	-3.021828
"881909"	30.9997573333333	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-3H"	-3.021828
"7053"	95.013824	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M-2H"	-2.014552
"444062"	143.024374	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M-2H"	-2.014552
"821134"	47.003274	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-2H"	-2.014552
"82584"	191.034924	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M-H"	-1.007276
"525063"	287.056024	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M-H"	-1.007276
"901770"	95.013824	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-H"	-1.007276
"52865"	208.061471	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M-2H+NH4"	16.019271
"494612"	304.082571	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M-2H+NH4"	16.019271
"873510"	112.040371	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-2H+NH4"	16.019271
"37400"	213.016866	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M-2H+Na"	20.974666
"484253"	309.037966	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M-2H+Na"	20.974666
"860960"	116.995766	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-2H+Na"	20.974666
"1628306"	116.995766	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Na-2H"	20.974666
"108362"	113.002163	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M-H+Cl"	33.962126
"548529"	161.012713	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M-H+Cl"	33.962126
"935727"	64.991613	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-H+Cl"	33.962126
"276476"	227.011602	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+Cl"	34.969402
"669993"	323.032702	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+Cl"	34.969402
"1283497"	130.990502	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Cl"	34.969402
"22774"	228.990806	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M-2H+K"	36.948606
"462334"	325.011906	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M-2H+K"	36.948606
"836851"	132.969706	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-2H+K"	36.948606
"1558519"	132.969706	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+K-2H"	36.948606
"944214"	141.019294	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-H+HCOOH"	44.998194
"366437"	237.040401	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+HCOOH-H"	44.998201
"347772"	251.056051	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+Hac-H"	59.013851
"1497333"	155.034951	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Hac-H"	59.013851
"966700"	163.001251	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-H+NaCOOH"	66.980151
"118887"	130.990502	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+2Cl"	69.938804
"552253"	179.001052	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+2Cl"	69.938804
"1023969"	82.979952	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2Cl"	69.938804
"1246827"	174.939985	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Br"	78.918885
"1304900"	176.995972	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Cl+HCOOH"	80.974872
"1320698"	198.977929	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Cl+NaCOOH"	102.956829
"913459"	209.006686	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M-H+CF3COOH"	112.985586
"1294541"	244.983364	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Cl+CF3COOH"	148.962264
"1373796"	61.008424	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H-2H2O"	-35.012676
"1389105"	79.0184	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H-H2O"	-17.0027
"287699"	193.049476	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+H"	1.007276
"681213"	289.070576	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+H"	1.007276
"1359752"	97.028376	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H"	1.007276
"137015"	97.028376	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+2H"	2.014552
"573294"	145.038926	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+2H"	2.014552
"1048657"	49.017826	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2H"	2.014552
"209994"	65.0213426666667	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+3H"	3.021828
"652837"	97.028376	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+3H"	3.021828
"1168777"	33.0143093333333	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+3H"	3.021828
"434233"	210.076023	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+NH4"	18.033823
"793041"	306.097123	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+NH4"	18.033823
"1694840"	114.054923	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+NH4"	18.033823
"342027"	105.5416495	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+H+NH4"	19.041099
"732260"	153.5521995	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+H+NH4"	19.041099
"1486082"	57.5310995	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H+NH4"	19.041099
"400387"	215.031418	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+Na"	22.989218
"757009"	311.052518	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+Na"	22.989218
"1610574"	119.010318	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Na"	22.989218
"318426"	108.019347	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+H+Na"	23.996494
"716314"	156.029897	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+H+Na"	23.996494
"1467950"	60.008797	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H+Na"	23.996494
"1060100"	40.3416233333333	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2H+Na"	25.00377
"1265058"	129.054586	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+CH3OH+H"	33.033486
"385819"	231.005358	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+K"	38.963158
"750461"	327.026458	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+K"	38.963158
"1543404"	134.984258	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+K"	38.963158
"306047"	116.006317	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+H+K"	39.970434
"701748"	164.016867	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+H+K"	39.970434
"1453381"	67.995767	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H+K"	39.970434
"248184"	234.076026	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+ACN+H"	42.033826
"1221986"	138.054926	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+ACN+H"	42.033826
"1208545"	69.531101	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+ACN+2H"	43.041102
"198010"	237.01336	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+2Na-H"	44.97116
"639761"	333.03446	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+2Na-H"	44.97116
"1139988"	140.99226	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2Na-H"	44.97116
"182183"	119.010318	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+2Na"	45.978436
"626969"	167.020868	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+2Na"	45.978436
"1128535"	70.999768	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2Na"	45.978436
"1409872"	47.6689373333333	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H+2Na"	46.985712
"1444547"	143.033846	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H+HCOOH"	47.012746
"232785"	124.04334	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+3H2O+2H"	56.04448
"1519024"	157.08589	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+IsoProp+H"	61.06479
"418345"	126.997288	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+Na+K"	61.952376
"782259"	175.007838	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+Na+K"	61.952376
"1680046"	78.986738	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Na+K"	61.952376
"265472"	256.057968	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+ACN+Na"	64.015768
"1241098"	160.036868	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+ACN+Na"	64.015768
"1726339"	160.060393	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+NH4+HCOOH"	64.039293
"1191331"	54.9962513333333	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+3Na"	68.967654
"1660861"	165.015788	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Na+HCOOH"	68.994688
"160428"	268.96124	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+2K-H"	76.91904
"599989"	364.98234	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+2K-H"	76.91904
"1087783"	172.94014	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2K-H"	76.91904
"148972"	134.984258	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"2M+2K"	77.926316
"589263"	182.994808	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"3M+2K"	77.926316
"1070006"	86.973708	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2K"	77.926316
"1108079"	174.954692	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2K+H"	78.933592
"1344462"	175.042307	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+DMSO+H"	79.021207
"1017367"	179.081476	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2ACN+H"	83.060376
"1535492"	180.075108	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+IsoProp+Na+H"	84.054008
"1001575"	90.044376	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+2ACN+2H"	84.067652
"1601911"	180.989728	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+K+HCOOH"	84.968628
"1419189"	211.021238	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+H+CF3COOH"	115.000138
"1157132"	110.557651	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+3ACN+2H"	125.094202
"1707779"	228.047785	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+NH4+CF3COOH"	132.026685
"1644524"	233.00318	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+Na+CF3COOH"	136.98208
"1579081"	248.97712	"C14279"	"Furfural;2-Furaldehyde"	"C5H4O2"	"96.0211"	"M+K+CF3COOH"	152.95602
"809445"	170.0943	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M"	0
"979697"	151.07591	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-H2O-H"	-19.01839
"65751"	112.388924	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M-3H"	-3.021828
"506408"	169.087024	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M-3H"	-3.021828
"884208"	55.690824	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-3H"	-3.021828
"3884"	169.087024	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M-2H"	-2.014552
"443808"	254.134174	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M-2H"	-2.014552
"821244"	84.039874	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-2H"	-2.014552
"80629"	339.181324	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M-H"	-1.007276
"521893"	509.275624	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M-H"	-1.007276
"898721"	169.087024	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-H"	-1.007276
"51882"	356.207871	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M-2H+NH4"	16.019271
"492535"	526.302171	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M-2H+NH4"	16.019271
"874713"	186.113571	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-2H+NH4"	16.019271
"36417"	361.163266	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M-2H+Na"	20.974666
"486065"	531.257566	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M-2H+Na"	20.974666
"863015"	191.068966	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-2H+Na"	20.974666
"1628416"	191.068966	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Na-2H"	20.974666
"107504"	187.075363	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M-H+Cl"	33.962126
"547791"	272.122513	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M-H+Cl"	33.962126
"940212"	102.028213	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-H+Cl"	33.962126
"277680"	375.158002	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+Cl"	34.969402
"667914"	545.252302	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+Cl"	34.969402
"1281420"	205.063702	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Cl"	34.969402
"25071"	377.137206	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M-2H+K"	36.948606
"462444"	547.231506	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M-2H+K"	36.948606
"835868"	207.042906	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-2H+K"	36.948606
"1558264"	207.042906	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+K-2H"	36.948606
"946145"	215.092494	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-H+HCOOH"	44.998194
"365451"	385.186801	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+HCOOH-H"	44.998201
"346301"	399.202451	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+Hac-H"	59.013851
"1493672"	229.108151	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Hac-H"	59.013851
"962800"	237.074451	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-H+NaCOOH"	66.980151
"114625"	205.063702	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+2Cl"	69.938804
"553090"	290.110852	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+2Cl"	69.938804
"1028450"	120.016552	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2Cl"	69.938804
"1241669"	249.013185	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Br"	78.918885
"1307563"	251.069172	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Cl+HCOOH"	80.974872
"1320677"	273.051129	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Cl+NaCOOH"	102.956829
"912108"	283.079886	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M-H+CF3COOH"	112.985586
"1288934"	319.056564	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Cl+CF3COOH"	148.962264
"1370626"	135.081624	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H-2H2O"	-35.012676
"1384111"	153.0916	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H-H2O"	-17.0027
"287809"	341.195876	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+H"	1.007276
"678043"	511.290176	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+H"	1.007276
"1359862"	171.101576	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H"	1.007276
"132752"	171.101576	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+2H"	2.014552
"573404"	256.148726	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+2H"	2.014552
"1044392"	86.054426	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2H"	2.014552
"205486"	114.403476	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+3H"	3.021828
"646386"	171.101576	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+3H"	3.021828
"1168885"	57.705376	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+3H"	3.021828
"432156"	358.222423	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+NH4"	18.033823
"792057"	528.316723	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+NH4"	18.033823
"1687294"	188.128123	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+NH4"	18.033823
"339946"	179.6148495	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+H+NH4"	19.041099
"729088"	264.6619995	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+H+NH4"	19.041099
"1485097"	94.5676995	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H+NH4"	19.041099
"398309"	363.177818	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+Na"	22.989218
"760397"	533.272118	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+Na"	22.989218
"1609589"	193.083518	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Na"	22.989218
"322905"	182.092547	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+H+Na"	23.996494
"710953"	267.139697	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+H+Na"	23.996494
"1468060"	97.045397	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H+Na"	23.996494
"1060210"	65.03269	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2H+Na"	25.00377
"1265168"	203.127786	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+CH3OH+H"	33.033486
"389209"	379.151758	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+K"	38.963158
"751299"	549.246058	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+K"	38.963158
"1548980"	209.057458	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+K"	38.963158
"306157"	190.079517	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+H+K"	39.970434
"698578"	275.126667	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+H+K"	39.970434
"1453491"	105.032367	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H+K"	39.970434
"247929"	382.222426	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+ACN+H"	42.033826
"1222463"	212.128126	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+ACN+H"	42.033826
"1208898"	106.567701	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+ACN+2H"	43.041102
"200307"	385.15976	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+2Na-H"	44.97116
"643885"	555.25406	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+2Na-H"	44.97116
"1140097"	215.06546	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2Na-H"	44.97116
"188212"	193.083518	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+2Na"	45.978436
"628050"	278.130668	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+2Na"	45.978436
"1120987"	108.036368	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2Na"	45.978436
"1408888"	72.360004	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H+2Na"	46.985712
"1441008"	217.107046	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H+HCOOH"	47.012746
"234961"	198.11654	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+3H2O+2H"	56.04448
"1520958"	231.15909	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+IsoProp+H"	61.06479
"421009"	201.070488	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+Na+K"	61.952376
"783097"	286.117638	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+Na+K"	61.952376
"1680524"	116.023338	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Na+K"	61.952376
"266679"	404.204368	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+ACN+Na"	64.015768
"1240849"	234.110068	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+ACN+Na"	64.015768
"1727422"	234.133593	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+NH4+HCOOH"	64.039293
"1190713"	79.687318	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+3Na"	68.967654
"1662064"	239.088988	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Na+HCOOH"	68.994688
"160538"	417.10764	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+2K-H"	76.91904
"600099"	587.20194	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+2K-H"	76.91904
"1088985"	247.01334	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2K-H"	76.91904
"146896"	209.057458	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"2M+2K"	77.926316
"588280"	294.104608	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"3M+2K"	77.926316
"1070965"	124.010308	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2K"	77.926316
"1107460"	249.027892	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2K+H"	78.933592
"1343480"	249.115507	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+DMSO+H"	79.021207
"1019178"	253.154676	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2ACN+H"	83.060376
"1533780"	254.148308	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+IsoProp+Na+H"	84.054008
"1003752"	127.080976	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+2ACN+2H"	84.067652
"1600563"	255.062928	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+K+HCOOH"	84.968628
"1421485"	285.094438	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+H+CF3COOH"	115.000138
"1153962"	147.594251	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+3ACN+2H"	125.094202
"1706796"	302.120985	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+NH4+CF3COOH"	132.026685
"1640259"	307.07638	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+Na+CF3COOH"	136.98208
"1582471"	323.05032	"C14280"	"Furfural diethyl acetal"	"C9H14O3"	"170.0943"	"M+K+CF3COOH"	152.95602
"803357"	141.0062	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M"	0
"977619"	121.98781	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-H2O-H"	-19.01839
"64039"	92.9968573333333	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M-3H"	-3.021828
"504695"	139.998924	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M-3H"	-3.021828
"881402"	45.9947906666667	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-3H"	-3.021828
"5087"	139.998924	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M-2H"	-2.014552
"443554"	210.502024	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M-2H"	-2.014552
"819168"	69.495824	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-2H"	-2.014552
"80254"	281.005124	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M-H"	-1.007276
"523096"	422.011324	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M-H"	-1.007276
"898710"	139.998924	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-H"	-1.007276
"50899"	298.031671	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M-2H+NH4"	16.019271
"491552"	439.037871	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M-2H+NH4"	16.019271
"874823"	157.025471	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-2H+NH4"	16.019271
"37256"	302.987066	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M-2H+Na"	20.974666
"486417"	443.993266	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M-2H+Na"	20.974666
"863935"	161.980866	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-2H+Na"	20.974666
"1631806"	161.980866	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Na-2H"	20.974666
"108343"	157.987263	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M-H+Cl"	33.962126
"548994"	228.490363	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M-H+Cl"	33.962126
"942023"	87.484163	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-H+Cl"	33.962126
"275603"	316.981802	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+Cl"	34.969402
"665837"	457.988002	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+Cl"	34.969402
"1279343"	175.975602	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Cl"	34.969402
"25181"	318.961006	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M-2H+K"	36.948606
"466927"	459.967206	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M-2H+K"	36.948606
"835978"	177.954806	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-2H+K"	36.948606
"1556550"	177.954806	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+K-2H"	36.948606
"946254"	186.004394	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-H+HCOOH"	44.998194
"364468"	327.010601	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+HCOOH-H"	44.998201
"348355"	341.026251	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+Hac-H"	59.013851
"1493418"	200.020051	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Hac-H"	59.013851
"959868"	207.986351	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-H+NaCOOH"	66.980151
"112910"	175.975602	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+2Cl"	69.938804
"553200"	246.478702	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+2Cl"	69.938804
"1025280"	105.472502	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2Cl"	69.938804
"1248139"	219.925085	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Br"	78.918885
"1306215"	221.981072	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Cl+HCOOH"	80.974872
"1322612"	243.963029	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Cl+NaCOOH"	102.956829
"912334"	253.991786	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M-H+CF3COOH"	112.985586
"1288926"	289.968464	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Cl+CF3COOH"	148.962264
"1374015"	105.993524	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H-2H2O"	-35.012676
"1384951"	124.0035	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H-H2O"	-17.0027
"289012"	283.019676	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+H"	1.007276
"677787"	424.025876	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+H"	1.007276
"1361065"	142.013476	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H"	1.007276
"132862"	142.013476	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+2H"	2.014552
"572421"	212.516576	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+2H"	2.014552
"1041222"	71.510376	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2H"	2.014552
"207294"	95.0114093333333	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+3H"	3.021828
"647583"	142.013476	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+3H"	3.021828
"1167172"	48.0093426666667	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+3H"	3.021828
"431173"	300.046223	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+NH4"	18.033823
"793261"	441.052423	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+NH4"	18.033823
"1687405"	159.040023	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+NH4"	18.033823
"336777"	150.5267495	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+H+NH4"	19.041099
"728104"	221.0298495	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+H+NH4"	19.041099
"1484113"	80.0236495	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H+NH4"	19.041099
"399510"	305.001618	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+Na"	22.989218
"758319"	446.007818	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+Na"	22.989218
"1607510"	163.995418	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Na"	22.989218
"323013"	153.004447	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+H+Na"	23.996494
"709970"	223.507547	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+H+Na"	23.996494
"1470357"	82.501347	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H+Na"	23.996494
"1059227"	55.3366566666667	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2H+Na"	25.00377
"1264184"	174.039686	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+CH3OH+H"	33.033486
"386037"	320.975558	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+K"	38.963158
"752502"	461.981758	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+K"	38.963158
"1549090"	179.969358	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+K"	38.963158
"308454"	160.991417	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+H+K"	39.970434
"698688"	231.494517	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+H+K"	39.970434
"1453601"	90.488317	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H+K"	39.970434
"248768"	324.046226	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+ACN+H"	42.033826
"1224637"	183.040026	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+ACN+H"	42.033826
"1209372"	92.023651	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+ACN+2H"	43.041102
"200417"	326.98356	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+2Na-H"	44.97116
"643143"	467.98976	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+2Na-H"	44.97116
"1143487"	185.97736	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2Na-H"	44.97116
"188367"	163.995418	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+2Na"	45.978436
"628048"	234.498518	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+2Na"	45.978436
"1123284"	93.492318	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2Na"	45.978436
"1411184"	62.6639706666667	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H+2Na"	46.985712
"1440022"	188.018946	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H+HCOOH"	47.012746
"233369"	169.02844	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+3H2O+2H"	56.04448
"1518152"	202.07099	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+IsoProp+H"	61.06479
"419662"	171.982388	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+Na+K"	61.952376
"779199"	242.485488	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+Na+K"	61.952376
"1679176"	101.479288	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Na+K"	61.952376
"264600"	346.028168	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+ACN+Na"	64.015768
"1239132"	205.021968	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+ACN+Na"	64.015768
"1727290"	205.045493	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+NH4+HCOOH"	64.039293
"1191188"	69.9912846666667	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+3Na"	68.967654
"1660716"	210.000888	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Na+HCOOH"	68.994688
"159919"	358.93144	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+2K-H"	76.91904
"598872"	499.93764	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+2K-H"	76.91904
"1086180"	217.92524	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2K-H"	76.91904
"149191"	179.969358	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"2M+2K"	77.926316
"587661"	250.472458	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"3M+2K"	77.926316
"1072170"	109.466258	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2K"	77.926316
"1108300"	219.939792	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2K+H"	78.933592
"1345046"	220.027407	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+DMSO+H"	79.021207
"1019411"	224.066576	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2ACN+H"	83.060376
"1536805"	225.060208	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+IsoProp+Na+H"	84.054008
"1003983"	112.536926	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+2ACN+2H"	84.067652
"1600673"	225.974828	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+K+HCOOH"	84.968628
"1421596"	256.006338	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+H+CF3COOH"	115.000138
"1155166"	133.050201	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+3ACN+2H"	125.094202
"1706906"	273.032885	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+NH4+CF3COOH"	132.026685
"1638183"	277.98828	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+Na+CF3COOH"	136.98208
"1579301"	293.96222	"C14281"	"5-Nitrofurfural;5-Nitro-2-furfural;5-Nitro-2-furaldehyde"	"C5H3NO4"	"141.0062"	"M+K+CF3COOH"	152.95602
"801461"	303.9579	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M"	0
"977729"	284.93951	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-H2O-H"	-19.01839
"64148"	201.631324	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M-3H"	-3.021828
"504441"	302.950624	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M-3H"	-3.021828
"881269"	100.312024	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-3H"	-3.021828
"822"	302.950624	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M-2H"	-2.014552
"442569"	454.929574	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M-2H"	-2.014552
"818548"	150.971674	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-2H"	-2.014552
"80361"	606.908524	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M-H"	-1.007276
"520290"	910.866424	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M-H"	-1.007276
"897727"	302.950624	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-H"	-1.007276
"51009"	623.935071	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M-2H+NH4"	16.019271
"491662"	927.892971	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M-2H+NH4"	16.019271
"874933"	319.977171	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-2H+NH4"	16.019271
"37366"	628.890466	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M-2H+Na"	20.974666
"483489"	932.848366	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M-2H+Na"	20.974666
"861290"	324.932566	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-2H+Na"	20.974666
"1628636"	324.932566	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Na-2H"	20.974666
"108087"	320.938963	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M-H+Cl"	33.962126
"548739"	472.917913	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M-H+Cl"	33.962126
"941890"	168.960013	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-H+Cl"	33.962126
"275713"	642.885202	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+Cl"	34.969402
"665947"	946.843102	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+Cl"	34.969402
"1282731"	338.927302	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Cl"	34.969402
"19822"	644.864406	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M-2H+K"	36.948606
"467037"	948.822306	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M-2H+K"	36.948606
"837181"	340.906506	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-2H+K"	36.948606
"1557390"	340.906506	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+K-2H"	36.948606
"945271"	348.956094	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-H+HCOOH"	44.998194
"363486"	652.914001	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+HCOOH-H"	44.998201
"349194"	666.929651	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+Hac-H"	59.013851
"1495473"	362.971751	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Hac-H"	59.013851
"962288"	370.938051	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-H+NaCOOH"	66.980151
"112654"	338.927302	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+2Cl"	69.938804
"554403"	490.906252	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+2Cl"	69.938804
"1027577"	186.948352	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2Cl"	69.938804
"1248249"	382.876785	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Br"	78.918885
"1305596"	384.932772	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Cl+HCOOH"	80.974872
"1322724"	406.914729	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Cl+NaCOOH"	102.956829
"912324"	416.943486	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M-H+CF3COOH"	112.985586
"1288711"	452.920164	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Cl+CF3COOH"	148.962264
"1371573"	268.945224	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H-2H2O"	-35.012676
"1382952"	286.9552	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H-H2O"	-17.0027
"286570"	608.923076	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+H"	1.007276
"677533"	912.880976	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+H"	1.007276
"1360083"	304.965176	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H"	1.007276
"130784"	304.965176	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+2H"	2.014552
"569251"	456.944126	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+2H"	2.014552
"1039873"	152.986226	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2H"	2.014552
"205947"	203.645876	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+3H"	3.021828
"645871"	304.965176	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+3H"	3.021828
"1165456"	102.326576	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+3H"	3.021828
"431283"	625.949623	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+NH4"	18.033823
"790090"	929.907523	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+NH4"	18.033823
"1686783"	321.991723	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+NH4"	18.033823
"333606"	313.4784495	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+H+NH4"	19.041099
"727121"	465.4573995	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+H+NH4"	19.041099
"1484220"	161.4994995	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H+NH4"	19.041099
"396340"	630.905018	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+Na"	22.989218
"756242"	934.862918	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+Na"	22.989218
"1606528"	326.947118	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Na"	22.989218
"320937"	315.956147	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+H+Na"	23.996494
"716638"	467.935097	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+H+Na"	23.996494
"1469368"	163.977197	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H+Na"	23.996494
"1057147"	109.65389	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2H+Na"	25.00377
"1261015"	336.991386	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+CH3OH+H"	33.033486
"385054"	646.878958	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+K"	38.963158
"750425"	950.836858	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+K"	38.963158
"1549200"	342.921058	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+K"	38.963158
"306377"	323.943117	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+H+K"	39.970434
"698798"	475.922067	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+H+K"	39.970434
"1453711"	171.964167	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H+K"	39.970434
"247785"	649.949626	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+ACN+H"	42.033826
"1224261"	345.991726	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+ACN+H"	42.033826
"1206564"	173.499501	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+ACN+2H"	43.041102
"198340"	652.88696	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+2Na-H"	44.97116
"643251"	956.84486	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+2Na-H"	44.97116
"1146150"	348.92906	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2Na-H"	44.97116
"187988"	326.947118	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+2Na"	45.978436
"628279"	478.926068	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+2Na"	45.978436
"1123394"	174.968168	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2Na"	45.978436
"1406920"	116.981204	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H+2Na"	46.985712
"1436850"	350.970646	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H+HCOOH"	47.012746
"233473"	331.98014	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+3H2O+2H"	56.04448
"1522634"	365.02269	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+IsoProp+H"	61.06479
"418676"	334.934088	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+Na+K"	61.952376
"780766"	486.913038	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+Na+K"	61.952376
"1677464"	182.955138	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Na+K"	61.952376
"265440"	671.931568	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+ACN+Na"	64.015768
"1238881"	367.973668	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+ACN+Na"	64.015768
"1727158"	367.997193	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+NH4+HCOOH"	64.039293
"1190932"	124.308518	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+3Na"	68.967654
"1663377"	372.952588	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Na+HCOOH"	68.994688
"161852"	684.83484	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+2K-H"	76.91904
"599590"	988.79274	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+2K-H"	76.91904
"1087020"	380.87694	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2K-H"	76.91904
"147116"	342.921058	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"2M+2K"	77.926316
"591050"	494.900008	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"3M+2K"	77.926316
"1072280"	190.942108	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2K"	77.926316
"1109867"	382.891492	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2K+H"	78.933592
"1344064"	382.979107	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+DMSO+H"	79.021207
"1018793"	387.018276	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2ACN+H"	83.060376
"1537280"	388.011908	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+IsoProp+Na+H"	84.054008
"1003729"	194.012776	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+2ACN+2H"	84.067652
"1601755"	388.926528	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+K+HCOOH"	84.968628
"1418427"	418.958038	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+H+CF3COOH"	115.000138
"1153090"	214.526051	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+3ACN+2H"	125.094202
"1707016"	435.984585	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+NH4+CF3COOH"	132.026685
"1638293"	440.93998	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+Na+CF3COOH"	136.98208
"1579411"	456.91392	"C14282"	"2-Furylmercury chloride"	"C4H3ClHgO"	"303.9579"	"M+K+CF3COOH"	152.95602
"801669"	244.0736	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M"	0
"980026"	225.05521	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-H2O-H"	-19.01839
"64258"	161.708457333333	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M-3H"	-3.021828
"504551"	243.066324	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M-3H"	-3.021828
"884538"	80.3505906666667	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-3H"	-3.021828
"2026"	243.066324	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M-2H"	-2.014552
"442316"	365.103124	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M-2H"	-2.014552
"820482"	121.029524	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-2H"	-2.014552
"81566"	487.139924	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M-H"	-1.007276
"522223"	731.213524	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M-H"	-1.007276
"900023"	243.066324	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-H"	-1.007276
"54399"	504.166471	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M-2H+NH4"	16.019271
"492865"	748.240071	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M-2H+NH4"	16.019271
"867752"	260.092871	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-2H+NH4"	16.019271
"36383"	509.121866	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M-2H+Na"	20.974666
"484572"	753.195466	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M-2H+Na"	20.974666
"861400"	265.048266	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-2H+Na"	20.974666
"1625466"	265.048266	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Na-2H"	20.974666
"107104"	261.054663	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M-H+Cl"	33.962126
"546663"	383.091463	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M-H+Cl"	33.962126
"940907"	139.017863	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-H+Cl"	33.962126
"275823"	523.116602	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+Cl"	34.969402
"666057"	767.190202	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+Cl"	34.969402
"1285025"	279.043002	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Cl"	34.969402
"19932"	525.095806	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M-2H+K"	36.948606
"464961"	769.169406	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M-2H+K"	36.948606
"834131"	281.022206	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-2H+K"	36.948606
"1559687"	281.022206	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+K-2H"	36.948606
"944651"	289.071794	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-H+HCOOH"	44.998194
"362868"	533.145401	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+HCOOH-H"	44.998201
"348575"	547.161051	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+Hac-H"	59.013851
"1493762"	303.087451	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Hac-H"	59.013851
"960577"	311.053751	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-H+NaCOOH"	66.980151
"112036"	279.043002	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+2Cl"	69.938804
"552326"	401.079802	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+2Cl"	69.938804
"1027687"	157.006202	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2Cl"	69.938804
"1247266"	322.992485	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Br"	78.918885
"1306798"	325.048472	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Cl+HCOOH"	80.974872
"1325020"	347.030429	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Cl+NaCOOH"	102.956829
"913893"	357.059186	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M-H+CF3COOH"	112.985586
"1288860"	393.035864	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Cl+CF3COOH"	148.962264
"1367139"	209.060924	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H-2H2O"	-35.012676
"1383061"	227.0709	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H-H2O"	-17.0027
"287044"	489.154476	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+H"	1.007276
"677643"	733.228076	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+H"	1.007276
"1361285"	245.080876	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H"	1.007276
"128708"	245.080876	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+2H"	2.014552
"572641"	367.117676	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+2H"	2.014552
"1041442"	123.044076	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2H"	2.014552
"205085"	163.723009333333	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+3H"	3.021828
"645981"	245.080876	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+3H"	3.021828
"1165200"	82.3651426666667	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+3H"	3.021828
"431392"	506.181023	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+NH4"	18.033823
"789107"	750.254623	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+NH4"	18.033823
"1685437"	262.107423	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+NH4"	18.033823
"334810"	253.5941495	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+H+NH4"	19.041099
"728323"	375.6309495	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+H+NH4"	19.041099
"1483237"	131.5573495	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H+NH4"	19.041099
"396450"	511.136418	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+Na"	22.989218
"755258"	755.210018	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+Na"	22.989218
"1608824"	267.062818	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Na"	22.989218
"318863"	256.071847	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+H+Na"	23.996494
"716748"	378.108647	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+H+Na"	23.996494
"1468385"	134.035047	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H+Na"	23.996494
"1057257"	89.6924566666667	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2H+Na"	25.00377
"1262220"	277.107086	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+CH3OH+H"	33.033486
"387352"	527.110358	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+K"	38.963158
"749442"	771.183958	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+K"	38.963158
"1543113"	283.036758	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+K"	38.963158
"308674"	264.058817	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+H+K"	39.970434
"698908"	386.095617	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+H+K"	39.970434
"1450541"	142.022017	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H+K"	39.970434
"244613"	530.181026	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+ACN+H"	42.033826
"1220601"	286.107426	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+ACN+H"	42.033826
"1207281"	143.557351	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+ACN+2H"	43.041102
"197357"	533.11836	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+2Na-H"	44.97116
"643118"	777.19196	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+2Na-H"	44.97116
"1146260"	289.04476	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2Na-H"	44.97116
"187857"	267.062818	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+2Na"	45.978436
"627418"	389.099618	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+2Na"	45.978436
"1123504"	145.026018	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2Na"	45.978436
"1410310"	97.0197706666667	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H+2Na"	46.985712
"1436960"	291.086346	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H+HCOOH"	47.012746
"233584"	272.09584	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+3H2O+2H"	56.04448
"1523106"	305.13839	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+IsoProp+H"	61.06479
"422429"	275.049788	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+Na+K"	61.952376
"784759"	397.086588	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+Na+K"	61.952376
"1680483"	153.012988	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Na+K"	61.952376
"265551"	552.162968	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+ACN+Na"	64.015768
"1240080"	308.089368	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+ACN+Na"	64.015768
"1726415"	308.112893	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+NH4+HCOOH"	64.039293
"1190677"	104.347084666667	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+3Na"	68.967654
"1661666"	313.068288	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Na+HCOOH"	68.994688
"161233"	565.06624	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+2K-H"	76.91904
"597999"	809.13984	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+2K-H"	76.91904
"1086156"	320.99264	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2K-H"	76.91904
"147225"	283.036758	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"2M+2K"	77.926316
"585695"	405.073558	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"3M+2K"	77.926316
"1069474"	160.999958	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2K"	77.926316
"1111071"	323.007192	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2K+H"	78.933592
"1344174"	323.094807	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+DMSO+H"	79.021207
"1019268"	327.133976	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2ACN+H"	83.060376
"1537390"	328.127608	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+IsoProp+Na+H"	84.054008
"1004567"	164.070626	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+2ACN+2H"	84.067652
"1601499"	329.042228	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+K+HCOOH"	84.968628
"1416711"	359.073738	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+H+CF3COOH"	115.000138
"1153200"	184.583901	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+3ACN+2H"	125.094202
"1707126"	376.100285	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+NH4+CF3COOH"	132.026685
"1638403"	381.05568	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+Na+CF3COOH"	136.98208
"1579521"	397.02962	"C14283"	"22-Dihydroxy-4-methoxybenzophenone;Dioxybenzone"	"C14H12O4"	"244.0736"	"M+K+CF3COOH"	152.95602
"803688"	214.063	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M"	0
"980136"	195.04461	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"65096"	141.701390666667	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"504661"	213.055724	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"882825"	70.3470573333333	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"1410"	213.055724	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"443884"	320.087224	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"818773"	106.024224	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"83867"	427.118724	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"523429"	641.181724	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"907789"	213.055724	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"54509"	444.145271	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"493339"	658.208271	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"867862"	230.082271	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"36857"	449.100666	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"483711"	663.163666	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"860417"	235.037666	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1625940"	235.037666	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"105391"	231.044063	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"544951"	338.075563	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"939559"	124.012563	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"271560"	463.095402	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"665074"	677.158402	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1282949"	249.032402	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"17854"	465.074606	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"459601"	679.137606	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"838495"	251.011606	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1560891"	251.011606	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"946220"	259.061194	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"362613"	473.124201	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"348684"	487.139851	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1494964"	273.076851	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"960686"	281.043151	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"115062"	249.032402	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"553530"	356.063902	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1027797"	142.000902	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1247376"	292.981885	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1306908"	295.037872	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1320758"	317.019829	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"914006"	327.048586	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1288550"	363.025264	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1369241"	179.050324	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1384915"	197.0603	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"287520"	429.133276	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"677754"	643.196276	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1362488"	215.070276	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H"	1.007276
"126994"	215.070276	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"571658"	322.101776	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1038636"	108.038776	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"206291"	143.715942666667	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"646822"	215.070276	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1166041"	72.3616093333333	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"431504"	446.159823	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"790311"	660.222823	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1686642"	232.096823	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"334918"	223.5835495	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"725519"	330.6150495	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1480070"	116.5520495	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"398749"	451.115218	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"759742"	665.178218	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1612214"	237.052218	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"323345"	226.061247	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"717952"	333.092747	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1470681"	119.029747	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1060647"	79.6889233333333	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1258077"	247.096486	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"386369"	467.089158	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"749188"	681.152158	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1546141"	253.026158	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K"	38.963158
"309514"	234.048217	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"702300"	341.079717	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1450651"	127.016717	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"247639"	470.159826	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1219618"	256.096826	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1204596"	128.552051	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"197467"	473.09716	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"642135"	687.16016	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1145037"	259.03416	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"187724"	237.052218	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"627650"	344.083718	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1126893"	130.020718	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1407137"	87.0162373333333	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1439254"	261.075746	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"232232"	242.08524	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1523094"	275.12779	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"422541"	245.039188	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"784384"	352.070688	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1679620"	138.007688	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"265903"	492.141768	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1239220"	278.078768	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1727740"	278.102293	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1190788"	94.3435513333333	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1661776"	283.057688	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"160979"	505.04504	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"597988"	719.10804	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1086874"	290.98204	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"145147"	253.026158	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"586894"	360.057658	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1071407"	145.994658	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1110088"	292.996592	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1343191"	293.084207	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1020106"	297.123376	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1536407"	298.117008	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"1004678"	149.065326	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1600637"	299.031628	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1416457"	329.063138	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1152217"	169.578601	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1703956"	346.089685	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1638513"	351.04508	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1579631"	367.01902	"C14284"	"22-Dihydroxybenzophenone"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"801595"	228.0786	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M"	0
"983526"	209.06021	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"67395"	151.045124	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"504771"	227.071324	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"883664"	75.018924	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"13181"	227.071324	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"443266"	341.110624	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"823982"	113.032024	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"81790"	455.149924	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"521715"	683.228524	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"906808"	227.071324	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"56808"	472.176471	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"494181"	700.255071	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"875263"	244.097871	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"37696"	477.131866	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"484913"	705.210466	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"860527"	249.053266	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1628966"	249.053266	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"105502"	245.059663	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"546153"	359.098963	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"939668"	131.020363	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"274950"	491.126602	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"669560"	719.205202	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1276502"	263.048002	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"20152"	493.105806	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"462992"	721.184406	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"833260"	265.027206	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1561000"	265.027206	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"945603"	273.076794	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"362238"	501.155401	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"346973"	515.171051	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1495078"	287.092451	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"960067"	295.058751	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"114080"	263.048002	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"552911"	377.087302	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1025721"	149.008702	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1243235"	306.997485	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1305924"	309.053472	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1322328"	331.035429	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"911685"	341.064186	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1289365"	377.040864	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1370080"	193.065924	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1387577"	211.0759	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"283980"	457.164476	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"681876"	685.243076	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1353000"	229.085876	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"130021"	229.085876	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"570675"	343.125176	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1038257"	115.046576	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"206523"	153.059676	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"647297"	229.085876	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1165422"	77.033476	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"427967"	474.191023	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"793702"	702.269623	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1690032"	246.112423	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"339402"	237.5991495	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"729639"	351.6384495	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1483462"	123.5598495	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"399954"	479.146418	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"760948"	707.225018	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1613419"	251.067818	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"324550"	240.076847	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"718064"	354.116147	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1469697"	126.037547	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1061851"	84.36079	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1259159"	261.112086	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"386479"	495.120358	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"748569"	723.198958	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1546250"	267.041758	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"309989"	248.063817	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"702410"	362.103117	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1456230"	134.024517	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"250060"	498.191026	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1221916"	270.112426	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1207622"	135.559851	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"197577"	501.12836	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"642124"	729.20696	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1146362"	273.04976	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"187713"	251.067818	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"627639"	365.107118	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1128705"	137.028518	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1405423"	91.688104	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1439364"	275.091346	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"230154"	256.10084	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1523447"	289.14339	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"421923"	259.054788	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"784010"	373.094088	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1678887"	145.015488	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"265405"	520.172968	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1237385"	292.094368	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1727486"	292.117893	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1189805"	99.015418	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1660793"	297.073288	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"167653"	533.07624	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"605025"	761.15484	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1091727"	304.99764	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"146355"	267.041758	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"587008"	381.081058	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1072611"	153.002458	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1110198"	307.012192	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1345490"	307.099807	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1019487"	311.138976	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1539560"	312.132608	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"1005161"	156.073126	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1599655"	313.047228	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1417658"	343.078738	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1155600"	176.586401	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1704066"	360.105285	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1638623"	365.06068	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1579741"	381.03462	"C14285"	"2-Hydroxy-4-methoxybenzophenone;Oxybenzone"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"803544"	318.0892	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M"	0
"978169"	299.07081	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-H2O-H"	-19.01839
"67505"	211.052190666667	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M-3H"	-3.021828
"508158"	317.081924	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M-3H"	-3.021828
"884868"	105.022457333333	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-3H"	-3.021828
"15364"	317.081924	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M-2H"	-2.014552
"447386"	476.126524	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M-2H"	-2.014552
"825185"	158.037324	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-2H"	-2.014552
"80436"	635.171124	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M-H"	-1.007276
"522189"	953.260324	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M-H"	-1.007276
"905824"	317.081924	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-H"	-1.007276
"54730"	652.197671	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M-2H+NH4"	16.019271
"494291"	970.286871	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M-2H+NH4"	16.019271
"866989"	334.108471	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-2H+NH4"	16.019271
"37806"	657.153066	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M-2H+Na"	20.974666
"476272"	975.242266	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M-2H+Na"	20.974666
"858450"	339.063866	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-2H+Na"	20.974666
"1626890"	339.063866	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Na-2H"	20.974666
"105612"	335.070263	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M-H+Cl"	33.962126
"547355"	494.114863	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M-H+Cl"	33.962126
"938683"	176.025663	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-H+Cl"	33.962126
"275060"	671.147802	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+Cl"	34.969402
"670763"	989.237002	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+Cl"	34.969402
"1279893"	353.058602	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Cl"	34.969402
"20262"	673.127006	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M-2H+K"	36.948606
"464195"	991.216206	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M-2H+K"	36.948606
"836530"	355.037806	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-2H+K"	36.948606
"1561110"	355.037806	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+K-2H"	36.948606
"947900"	363.087394	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-H+HCOOH"	44.998194
"367209"	681.176601	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+HCOOH-H"	44.998201
"347812"	695.192251	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+Hac-H"	59.013851
"1494823"	377.103051	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Hac-H"	59.013851
"960905"	385.069351	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-H+NaCOOH"	66.980151
"113461"	353.058602	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+2Cl"	69.938804
"554846"	512.103202	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+2Cl"	69.938804
"1028018"	194.014002	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2Cl"	69.938804
"1244681"	397.008085	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Br"	78.918885
"1306763"	399.064072	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Cl+HCOOH"	80.974872
"1322802"	421.046029	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Cl+NaCOOH"	102.956829
"911465"	431.074786	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M-H+CF3COOH"	112.985586
"1288582"	467.051464	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Cl+CF3COOH"	148.962264
"1372376"	283.076524	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H-2H2O"	-35.012676
"1385864"	301.0865	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H-H2O"	-17.0027
"285183"	637.185676	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+H"	1.007276
"684173"	955.274876	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+H"	1.007276
"1352138"	319.096476	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H"	1.007276
"132318"	319.096476	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+2H"	2.014552
"571879"	478.141076	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+2H"	2.014552
"1038856"	160.051876	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2H"	2.014552
"206756"	213.066742666667	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+3H"	3.021828
"647407"	319.096476	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+3H"	3.021828
"1168083"	107.037009333333	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+3H"	3.021828
"429535"	654.212223	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+NH4"	18.033823
"792718"	972.301423	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+NH4"	18.033823
"1686862"	336.123023	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+NH4"	18.033823
"337326"	327.6097495	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+H+NH4"	19.041099
"727564"	486.6543495	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+H+NH4"	19.041099
"1484666"	168.5651495	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H+NH4"	19.041099
"401157"	659.167618	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+Na"	22.989218
"761058"	977.256818	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+Na"	22.989218
"1613529"	341.078418	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Na"	22.989218
"323567"	330.087447	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+H+Na"	23.996494
"717081"	489.132047	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+H+Na"	23.996494
"1470898"	171.042847	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H+Na"	23.996494
"1059774"	114.364323333333	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2H+Na"	25.00377
"1261456"	351.122686	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+CH3OH+H"	33.033486
"382218"	675.141558	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+K"	38.963158
"747587"	993.230758	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+K"	38.963158
"1546361"	357.052358	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+K"	38.963158
"306819"	338.074417	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+H+K"	39.970434
"701427"	497.119017	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+H+K"	39.970434
"1456340"	179.029817	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H+K"	39.970434
"243851"	678.212226	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+ACN+H"	42.033826
"1215464"	360.123026	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+ACN+H"	42.033826
"1200443"	180.565151	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+ACN+2H"	43.041102
"197688"	681.14956	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+2Na-H"	44.97116
"635064"	999.23876	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+2Na-H"	44.97116
"1146470"	363.06036	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2Na-H"	44.97116
"188183"	341.078418	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+2Na"	45.978436
"627507"	500.123018	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+2Na"	45.978436
"1123833"	182.033818	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2Na"	45.978436
"1403347"	121.691637333333	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H+2Na"	46.985712
"1439474"	365.101946	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H+HCOOH"	47.012746
"230264"	346.11144	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+3H2O+2H"	56.04448
"1523641"	379.15399	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+IsoProp+H"	61.06479
"423857"	349.065388	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+Na+K"	61.952376
"785379"	508.109988	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+Na+K"	61.952376
"1680941"	190.020788	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Na+K"	61.952376
"266729"	700.194168	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+ACN+Na"	64.015768
"1240412"	382.104968	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+ACN+Na"	64.015768
"1728084"	382.128493	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+NH4+HCOOH"	64.039293
"1192101"	129.018951333333	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+3Na"	68.967654
"1661995"	387.083888	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Na+HCOOH"	68.994688
"167763"	713.09744	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+2K-H"	76.91904
"604044"	1031.18664	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+2K-H"	76.91904
"1092930"	395.00824	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2K-H"	76.91904
"147559"	357.052358	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"2M+2K"	77.926316
"589306"	516.096958	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"3M+2K"	77.926316
"1073815"	198.007758	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2K"	77.926316
"1108121"	397.022792	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2K+H"	78.933592
"1347787"	397.110407	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+DMSO+H"	79.021207
"1020774"	401.149576	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2ACN+H"	83.060376
"1538331"	402.143208	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+IsoProp+Na+H"	84.054008
"1005388"	201.078426	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+2ACN+2H"	84.067652
"1599762"	403.057828	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+K+HCOOH"	84.968628
"1417768"	433.089338	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+H+CF3COOH"	115.000138
"1155711"	221.591701	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+3ACN+2H"	125.094202
"1704176"	450.115885	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+NH4+CF3COOH"	132.026685
"1642013"	455.07128	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+Na+CF3COOH"	136.98208
"1583131"	471.04522	"C14286"	"Phenolphthalein;33-Bis(4-hydroxyphenyl)phthalide"	"C20H14O4"	"318.0892"	"M+K+CF3COOH"	152.95602
"810215"	424.3341	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M"	0
"979372"	405.31571	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-H2O-H"	-19.01839
"67616"	281.882124	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M-3H"	-3.021828
"510457"	423.326824	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M-3H"	-3.021828
"888259"	140.437424	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-3H"	-3.021828
"14859"	423.326824	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M-2H"	-2.014552
"447496"	635.493874	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M-2H"	-2.014552
"825295"	211.159774	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-2H"	-2.014552
"84189"	847.660924	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M-H"	-1.007276
"520475"	1271.995024	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M-H"	-1.007276
"898277"	423.326824	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-H"	-1.007276
"53381"	864.687471	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M-2H+NH4"	16.019271
"492942"	1289.021571	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M-2H+NH4"	16.019271
"875483"	440.353371	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-2H+NH4"	16.019271
"37916"	869.642866	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M-2H+Na"	20.974666
"475288"	1293.976966	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M-2H+Na"	20.974666
"859656"	445.308766	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-2H+Na"	20.974666
"1629187"	445.308766	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Na-2H"	20.974666
"109366"	441.315163	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M-H+Cl"	33.962126
"547468"	653.482213	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M-H+Cl"	33.962126
"940981"	229.148113	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-H+Cl"	33.962126
"279182"	883.637602	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+Cl"	34.969402
"670509"	1307.971702	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+Cl"	34.969402
"1283279"	459.303502	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Cl"	34.969402
"30944"	885.616806	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M-2H+K"	36.948606
"468679"	1309.950906	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M-2H+K"	36.948606
"845387"	461.282706	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-2H+K"	36.948606
"1564503"	461.282706	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+K-2H"	36.948606
"945092"	469.332294	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-H+HCOOH"	44.998194
"366591"	893.666401	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+HCOOH-H"	44.998201
"348652"	907.682051	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+Hac-H"	59.013851
"1495662"	483.347951	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Hac-H"	59.013851
"964662"	491.314251	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-H+NaCOOH"	66.980151
"115392"	459.303502	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+2Cl"	69.938804
"558237"	671.470552	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+2Cl"	69.938804
"1028129"	247.136452	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2Cl"	69.938804
"1250988"	503.252985	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Br"	78.918885
"1310151"	505.308972	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Cl+HCOOH"	80.974872
"1324367"	527.290929	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Cl+NaCOOH"	102.956829
"920895"	537.319686	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M-H+CF3COOH"	112.985586
"1295418"	573.296364	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Cl+CF3COOH"	148.962264
"1369935"	389.321424	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H-2H2O"	-35.012676
"1385243"	407.3314	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H-H2O"	-17.0027
"284929"	849.675476	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+H"	1.007276
"685014"	1274.009576	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+H"	1.007276
"1352615"	425.341376	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H"	1.007276
"126351"	425.341376	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+2H"	2.014552
"573084"	637.508426	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+2H"	2.014552
"1041884"	213.174326	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2H"	2.014552
"207231"	283.896676	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+3H"	3.021828
"648613"	425.341376	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+3H"	3.021828
"1166735"	142.451976	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+3H"	3.021828
"429645"	866.702023	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+NH4"	18.033823
"795014"	1291.036123	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+NH4"	18.033823
"1694262"	442.367923	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+NH4"	18.033823
"339624"	433.8546495	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+H+NH4"	19.041099
"732046"	646.0216995	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+H+NH4"	19.041099
"1485868"	221.6875995	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H+NH4"	19.041099
"402361"	871.657418	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+Na"	22.989218
"765542"	1295.991518	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+Na"	22.989218
"1613641"	447.323318	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Na"	22.989218
"324771"	436.332347	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+H+Na"	23.996494
"719377"	648.499397	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+H+Na"	23.996494
"1471739"	224.165297	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H+Na"	23.996494
"1059884"	149.77929	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2H+Na"	25.00377
"1260837"	457.367586	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+CH3OH+H"	33.033486
"389619"	887.631358	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+K"	38.963158
"751342"	1311.965458	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+K"	38.963158
"1545379"	463.297258	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+K"	38.963158
"304742"	444.319317	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+H+K"	39.970434
"702630"	656.486367	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+H+K"	39.970434
"1455357"	232.152267	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H+K"	39.970434
"243961"	890.702026	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+ACN+H"	42.033826
"1217761"	466.367926	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+ACN+H"	42.033826
"1200553"	233.687601	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+ACN+2H"	43.041102
"197798"	893.63936	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+2Na-H"	44.97116
"636268"	1317.97346	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+2Na-H"	44.97116
"1144147"	469.30526	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2Na-H"	44.97116
"188439"	447.323318	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+2Na"	45.978436
"628091"	659.490368	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+2Na"	45.978436
"1123943"	235.156268	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2Na"	45.978436
"1404913"	157.106604	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H+2Na"	46.985712
"1439584"	471.346846	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H+HCOOH"	47.012746
"235358"	452.35634	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+3H2O+2H"	56.04448
"1523543"	485.39889	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+IsoProp+H"	61.06479
"424009"	455.310288	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+Na+K"	61.952376
"783135"	667.477338	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+Na+K"	61.952376
"1680808"	243.143238	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Na+K"	61.952376
"266595"	912.683968	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+ACN+Na"	64.015768
"1241007"	488.349868	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+ACN+Na"	64.015768
"1728071"	488.373393	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+NH4+HCOOH"	64.039293
"1192944"	164.433918	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+3Na"	68.967654
"1665143"	493.328788	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Na+HCOOH"	68.994688
"166780"	925.58724	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+2K-H"	76.91904
"604155"	1349.92134	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+2K-H"	76.91904
"1099242"	501.25314	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2K-H"	76.91904
"150951"	463.297258	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"2M+2K"	77.926316
"592692"	675.464308	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"3M+2K"	77.926316
"1077206"	251.130208	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2K"	77.926316
"1111512"	503.267692	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2K+H"	78.933592
"1344614"	503.355307	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+DMSO+H"	79.021207
"1020317"	507.394476	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2ACN+H"	83.060376
"1539050"	508.388108	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+IsoProp+Na+H"	84.054008
"1005379"	254.200876	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+2ACN+2H"	84.067652
"1601818"	509.302728	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+K+HCOOH"	84.968628
"1421158"	539.334238	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+H+CF3COOH"	115.000138
"1154727"	274.714151	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+3ACN+2H"	125.094202
"1706473"	556.360785	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+NH4+CF3COOH"	132.026685
"1647591"	561.31618	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+Na+CF3COOH"	136.98208
"1583241"	577.29012	"C14287"	"44-Methylenebis(26-di-tert-butylphenol)"	"C29H44O2"	"424.3341"	"M+K+CF3COOH"	152.95602
"803764"	198.1157	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M"	0
"975109"	179.09731	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-H2O-H"	-19.01839
"64443"	131.069857333333	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M-3H"	-3.021828
"507286"	197.108424	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M-3H"	-3.021828
"881809"	65.0312906666667	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-3H"	-3.021828
"14119"	197.108424	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M-2H"	-2.014552
"447606"	296.166274	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M-2H"	-2.014552
"826498"	98.050574	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-2H"	-2.014552
"79928"	395.224124	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M-H"	-1.007276
"519491"	593.339824	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M-H"	-1.007276
"898387"	197.108424	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-H"	-1.007276
"52763"	412.250671	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M-2H+NH4"	16.019271
"490865"	610.366371	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M-2H+NH4"	16.019271
"868302"	214.134971	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-2H+NH4"	16.019271
"38026"	417.206066	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M-2H+Na"	20.974666
"473211"	615.321766	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M-2H+Na"	20.974666
"858673"	219.090366	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-2H+Na"	20.974666
"1629297"	219.090366	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Na-2H"	20.974666
"109644"	215.096763	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M-H+Cl"	33.962126
"548671"	314.154613	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M-H+Cl"	33.962126
"940727"	116.038913	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-H+Cl"	33.962126
"273093"	431.200802	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+Cl"	34.969402
"667700"	629.316502	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+Cl"	34.969402
"1282294"	233.085102	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Cl"	34.969402
"24852"	433.180006	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M-2H+K"	36.948606
"462228"	631.295706	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M-2H+K"	36.948606
"833466"	235.064306	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-2H+K"	36.948606
"1564611"	235.064306	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+K-2H"	36.948606
"944837"	243.113894	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-H+HCOOH"	44.998194
"365239"	441.229601	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+HCOOH-H"	44.998201
"348760"	455.245251	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+Hac-H"	59.013851
"1494067"	257.129551	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Hac-H"	59.013851
"960759"	265.095851	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-H+NaCOOH"	66.980151
"114772"	233.085102	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+2Cl"	69.938804
"553241"	332.142952	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+2Cl"	69.938804
"1026050"	134.027252	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2Cl"	69.938804
"1252191"	277.034585	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Br"	78.918885
"1309901"	279.090572	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Cl+HCOOH"	80.974872
"1323384"	301.072529	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Cl+NaCOOH"	102.956829
"918089"	311.101286	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M-H+CF3COOH"	112.985586
"1292612"	347.077964	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Cl+CF3COOH"	148.962264
"1370045"	163.103024	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H-2H2O"	-35.012676
"1385354"	181.113	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H-H2O"	-17.0027
"284432"	397.238676	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+H"	1.007276
"684394"	595.354376	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+H"	1.007276
"1353089"	199.122976	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H"	1.007276
"127192"	199.122976	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+2H"	2.014552
"569186"	298.180826	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+2H"	2.014552
"1038714"	100.065126	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2H"	2.014552
"208070"	133.084409333333	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+3H"	3.021828
"649452"	199.122976	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+3H"	3.021828
"1166479"	67.0458426666667	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+3H"	3.021828
"431943"	414.265223	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+NH4"	18.033823
"791845"	612.380923	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+NH4"	18.033823
"1689268"	216.149523	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+NH4"	18.033823
"337546"	207.6362495	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+H+NH4"	19.041099
"729969"	306.6940995	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+H+NH4"	19.041099
"1484884"	108.5783995	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H+NH4"	19.041099
"398098"	419.220618	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+Na"	22.989218
"763465"	617.336318	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+Na"	22.989218
"1609378"	221.104918	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Na"	22.989218
"323788"	210.113947	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+H+Na"	23.996494
"717303"	309.171797	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+H+Na"	23.996494
"1472213"	111.056097	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H+Na"	23.996494
"1059993"	74.3731566666667	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2H+Na"	25.00377
"1258030"	231.149186	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+CH3OH+H"	33.033486
"379157"	435.194558	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+K"	38.963158
"749264"	633.310258	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+K"	38.963158
"1541842"	237.078858	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+K"	38.963158
"307038"	218.100917	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+H+K"	39.970434
"701646"	317.158767	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+H+K"	39.970434
"1452186"	119.043067	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H+K"	39.970434
"244070"	438.265226	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+ACN+H"	42.033826
"1216049"	240.149526	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+ACN+H"	42.033826
"1199568"	120.578401	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+ACN+2H"	43.041102
"196814"	441.20256	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+2Na-H"	44.97116
"639656"	639.31826	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+2Na-H"	44.97116
"1140976"	243.08686	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2Na-H"	44.97116
"187914"	221.104918	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+2Na"	45.978436
"628486"	320.162768	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+2Na"	45.978436
"1121137"	122.047068	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2Na"	45.978436
"1403566"	81.7004706666667	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H+2Na"	46.985712
"1439694"	245.128446	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H+HCOOH"	47.012746
"233766"	226.13794	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+3H2O+2H"	56.04448
"1523288"	259.18049	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+IsoProp+H"	61.06479
"422246"	229.091888	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+Na+K"	61.952376
"783973"	328.149738	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+Na+K"	61.952376
"1679211"	130.034038	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Na+K"	61.952376
"266460"	460.247168	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+ACN+Na"	64.015768
"1240873"	262.131468	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+ACN+Na"	64.015768
"1728347"	262.154993	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+NH4+HCOOH"	64.039293
"1192322"	89.0277846666667	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+3Na"	68.967654
"1664402"	267.110388	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Na+HCOOH"	68.994688
"171875"	473.15044	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+2K-H"	76.91904
"612166"	671.26614	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+2K-H"	76.91904
"1099800"	275.03474	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2K-H"	76.91904
"156286"	237.078858	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"2M+2K"	77.926316
"592803"	336.136708	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"3M+2K"	77.926316
"1078411"	138.021008	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2K"	77.926316
"1113810"	277.049292	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2K+H"	78.933592
"1347885"	277.136907	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+DMSO+H"	79.021207
"1021231"	281.176076	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2ACN+H"	83.060376
"1539283"	282.169708	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+IsoProp+Na+H"	84.054008
"1005588"	141.091676	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+2ACN+2H"	84.067652
"1602620"	283.084328	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+K+HCOOH"	84.968628
"1420176"	313.115838	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+H+CF3COOH"	115.000138
"1154838"	161.604951	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+3ACN+2H"	125.094202
"1707676"	330.142385	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+NH4+CF3COOH"	132.026685
"1648794"	335.09778	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+Na+CF3COOH"	136.98208
"1583351"	351.07172	"C14288"	"44-Methylenedianiline;44-Diaminodiphenylmethane"	"C13H14N2"	"198.1157"	"M+K+CF3COOH"	152.95602
"801808"	360.1573	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M"	0
"975947"	341.13891	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"65281"	239.097590666667	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"508489"	359.150024	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"883012"	119.045157333333	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"13987"	359.150024	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"450996"	539.228674	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"827702"	179.071374	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"81131"	719.307324	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"519966"	1079.464624	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"897402"	359.150024	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"50321"	736.333871	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"489882"	1096.491171	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"867319"	376.176571	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"38136"	741.289266	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"474049"	1101.446566	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"858783"	381.131966	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1628314"	381.131966	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"108493"	377.138363	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"548296"	557.217013	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"940108"	197.059713	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"275390"	755.284002	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"667810"	1115.441302	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1281311"	395.126702	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"24962"	757.263206	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"465620"	1117.420506	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"839046"	397.105906	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1562537"	397.105906	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"943854"	405.155494	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"362068"	765.312801	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"346682"	779.328451	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1492848"	419.171151	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"961964"	427.137451	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"114153"	395.126702	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"555173"	575.205352	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1025431"	215.048052	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1249018"	439.076185	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1309647"	441.132172	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1320256"	463.114129	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"911516"	473.142886	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1288501"	509.119564	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1368210"	325.144624	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1385464"	343.1546	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"283366"	721.321876	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"679032"	1081.479176	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1358670"	361.164576	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"135202"	361.164576	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"572213"	541.243226	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1042466"	181.085926	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"208181"	241.112142666667	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"647378"	361.164576	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1166227"	121.059709333333	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"428772"	738.348423	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"795235"	1098.505723	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1686099"	378.191123	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"336563"	369.6778495	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"728986"	549.7564995	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1483901"	189.5991995	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"398208"	743.303818	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"764669"	1103.461118	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1611674"	383.146518	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"324990"	372.155547	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"718506"	552.234197	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1472323"	192.076897	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1060103"	128.387023333333	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1259963"	393.190786	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"383642"	759.277758	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"751195"	1119.435058	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1543775"	399.120458	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"306053"	380.142517	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"701756"	560.221167	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1455576"	200.063867	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"244180"	762.348426	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1215795"	402.191126	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1201864"	201.599201	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"196924"	765.28576	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"636486"	1125.44306	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1141086"	405.12846	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"185835"	383.146518	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"625763"	563.225168	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1121976"	203.067868	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1407688"	135.714337333333	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1443088"	407.170046	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"233514"	388.17954	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1521576"	421.22209	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"418347"	391.133488	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"783718"	571.212138	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1678958"	211.054838	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"265113"	784.330368	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1239281"	424.173068	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1724521"	424.196593	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1193401"	143.041651333333	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1665198"	429.151988	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"172801"	797.23364	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"612276"	1157.39094	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1099545"	437.07634	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"157011"	399.120458	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"588540"	579.199108	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1079614"	219.041808	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1115551"	439.090892	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1348116"	439.178507	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1020904"	443.217676	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1539514"	444.211308	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"1005236"	222.112476	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1602526"	445.125928	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1420286"	475.157438	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1154948"	242.625751	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1707786"	492.183985	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1648904"	497.13938	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1583461"	513.11332	"C14289"	"Dibenzo-18-crown-6"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"802890"	240.0786	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M"	0
"975326"	221.06021	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"64056"	159.045124	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"508599"	239.071324	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"883120"	79.018924	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"14096"	239.071324	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"445639"	359.110624	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"824532"	119.032024	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"81604"	479.149924	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"520802"	719.228524	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"898239"	239.071324	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"50431"	496.176471	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"489261"	736.255071	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"868158"	256.097871	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"38246"	501.131866	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"472821"	741.210466	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"858893"	261.053266	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1624050"	261.053266	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"108120"	257.059663	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"548164"	377.098963	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"939854"	137.020363	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"275500"	515.126602	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"666827"	755.205202	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1280328"	275.048002	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"23979"	517.105806	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"464633"	757.184406	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"836240"	277.027206	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1562645"	277.027206	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"942832"	285.076794	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"363637"	525.155401	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"346792"	539.171051	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1493801"	299.092451	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"962804"	307.058751	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"114993"	275.048002	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"554191"	395.087302	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1025541"	155.008702	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1246942"	318.997485	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1307205"	321.053472	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1326888"	343.035429	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"915760"	353.064186	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1289304"	389.040864	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1372819"	205.065924	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1386303"	223.0759	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"282927"	481.164476	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"679506"	721.243076	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1361695"	241.085876	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"136042"	241.085876	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"573417"	361.125176	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1044399"	121.046576	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"206105"	161.059676	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"648582"	241.085876	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1167798"	81.033476	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"431069"	498.191023	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"790972"	738.269623	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1690584"	258.112423	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"338861"	249.5991495	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"731282"	369.6384495	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1486199"	129.5598495	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"402692"	503.146418	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"765508"	743.225018	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1612877"	263.067818	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"326193"	252.076847	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"718617"	372.116147	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1474619"	132.037547	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1060213"	88.36079	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1260073"	273.112086	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"383752"	519.120358	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"751309"	759.198958	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1546801"	279.041758	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"309079"	260.063817	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"702959"	380.103117	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1454229"	140.024517	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"247936"	522.191026	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1219551"	282.112426	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1201975"	141.559851	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"199951"	525.12836	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"635503"	765.20696	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1141197"	285.04976	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"185581"	263.067818	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"625509"	383.107118	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1126460"	143.028518	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1407435"	95.688104	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1442469"	287.091346	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"233986"	268.10084	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1518039"	301.14339	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"419187"	271.054788	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"781278"	391.094088	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1677975"	151.015488	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"262672"	544.172968	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1237933"	304.094368	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1726697"	304.117893	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1193026"	103.015418	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1665227"	309.073288	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"172334"	557.07624	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"612020"	797.15484	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1099494"	316.99764	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"156794"	279.041758	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"588652"	399.081058	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1078631"	159.002458	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1115578"	319.012192	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1350175"	319.099807	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1021333"	323.138976	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1539140"	324.132608	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"1005224"	162.073126	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1602270"	325.047228	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1421490"	355.078738	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1155057"	182.586401	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1707897"	372.105285	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1649827"	377.06068	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1583571"	393.03462	"C14290"	"7-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"810655"	221.1052	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M"	0
"976533"	202.08681	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-H2O-H"	-19.01839
"70243"	146.396190666667	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M-3H"	-3.021828
"510898"	220.097924	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M-3H"	-3.021828
"886511"	72.6944573333333	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-3H"	-3.021828
"15506"	220.097924	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M-2H"	-2.014552
"446844"	330.650524	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M-2H"	-2.014552
"831205"	109.545324	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-2H"	-2.014552
"89007"	441.203124	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M-H"	-1.007276
"530755"	662.308324	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M-H"	-1.007276
"897985"	220.097924	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-H"	-1.007276
"52728"	458.229671	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M-2H+NH4"	16.019271
"489008"	679.334871	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M-2H+NH4"	16.019271
"867903"	237.124471	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-2H+NH4"	16.019271
"38356"	463.185066	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M-2H+Na"	20.974666
"474269"	684.290266	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M-2H+Na"	20.974666
"854627"	242.079866	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-2H+Na"	20.974666
"1627440"	242.079866	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Na-2H"	20.974666
"108230"	238.086263	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M-H+Cl"	33.962126
"549371"	348.638863	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M-H+Cl"	33.962126
"941307"	127.533663	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-H+Cl"	33.962126
"276704"	477.179802	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+Cl"	34.969402
"671310"	698.285002	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+Cl"	34.969402
"1286154"	256.074602	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Cl"	34.969402
"26276"	479.159006	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M-2H+K"	36.948606
"464745"	700.264206	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M-2H+K"	36.948606
"838542"	258.053806	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-2H+K"	36.948606
"1560935"	258.053806	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+K-2H"	36.948606
"946264"	266.103394	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-H+HCOOH"	44.998194
"364479"	487.208601	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+HCOOH-H"	44.998201
"352009"	501.224251	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+Hac-H"	59.013851
"1499386"	280.119051	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Hac-H"	59.013851
"965833"	288.085351	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-H+NaCOOH"	66.980151
"116927"	256.074602	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+2Cl"	69.938804
"559769"	366.627202	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+2Cl"	69.938804
"1033672"	145.522002	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2Cl"	69.938804
"1250332"	300.024085	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Br"	78.918885
"1314972"	302.080072	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Cl+HCOOH"	80.974872
"1331009"	324.062029	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Cl+NaCOOH"	102.956829
"914779"	334.090786	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M-H+CF3COOH"	112.985586
"1290514"	370.067464	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Cl+CF3COOH"	148.962264
"1370743"	186.092524	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H-2H2O"	-35.012676
"1383858"	204.1025	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H-H2O"	-17.0027
"285738"	443.217676	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+H"	1.007276
"676821"	664.322876	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+H"	1.007276
"1356698"	222.112476	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H"	1.007276
"130682"	222.112476	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+2H"	2.014552
"572430"	332.665076	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+2H"	2.014552
"1039405"	111.559876	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2H"	2.014552
"208037"	148.410742666667	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+3H"	3.021828
"647597"	222.112476	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+3H"	3.021828
"1165723"	74.7090093333333	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+3H"	3.021828
"433369"	460.244223	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+NH4"	18.033823
"791083"	681.349423	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+NH4"	18.033823
"1689602"	239.139023	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+NH4"	18.033823
"337879"	230.6257495	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+H+NH4"	19.041099
"732488"	341.1783495	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+H+NH4"	19.041099
"1490318"	120.0731495	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H+NH4"	19.041099
"404989"	465.199618	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+Na"	22.989218
"768534"	686.304818	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+Na"	22.989218
"1615173"	244.094418	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Na"	22.989218
"328490"	233.103447	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+H+Na"	23.996494
"721399"	343.656047	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+H+Na"	23.996494
"1474733"	122.550847	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H+Na"	23.996494
"1065792"	82.0363233333333	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2H+Na"	25.00377
"1269663"	254.138686	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+CH3OH+H"	33.033486
"390425"	481.173558	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+K"	38.963158
"750325"	702.278758	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+K"	38.963158
"1545820"	260.068358	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+K"	38.963158
"311745"	241.090417	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+H+K"	39.970434
"705259"	351.643017	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+H+K"	39.970434
"1456527"	130.537817	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H+K"	39.970434
"246954"	484.244226	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+ACN+H"	42.033826
"1218203"	263.139026	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+ACN+H"	42.033826
"1206459"	132.073151	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+ACN+2H"	43.041102
"198967"	487.18156	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+2Na-H"	44.97116
"635616"	708.28676	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+2Na-H"	44.97116
"1136204"	266.07636	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2Na-H"	44.97116
"183505"	244.094418	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+2Na"	45.978436
"624890"	354.647018	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+2Na"	45.978436
"1127664"	133.541818	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2Na"	45.978436
"1409370"	89.3636373333333	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H+2Na"	46.985712
"1440029"	268.117946	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H+HCOOH"	47.012746
"232641"	249.12744	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+3H2O+2H"	56.04448
"1518881"	282.16999	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+IsoProp+H"	61.06479
"417110"	252.081388	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+Na+K"	61.952376
"781751"	362.633988	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+Na+K"	61.952376
"1677720"	141.528788	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Na+K"	61.952376
"261322"	506.226168	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+ACN+Na"	64.015768
"1237315"	285.120968	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+ACN+Na"	64.015768
"1722919"	285.144493	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+NH4+HCOOH"	64.039293
"1191556"	96.6909513333333	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+3Na"	68.967654
"1661447"	290.099888	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Na+HCOOH"	68.994688
"170500"	519.12944	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+2K-H"	76.91904
"607875"	740.23464	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+2K-H"	76.91904
"1099197"	298.02424	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2K-H"	76.91904
"152485"	260.068358	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"2M+2K"	77.926316
"585844"	370.620958	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"3M+2K"	77.926316
"1077647"	149.515758	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2K"	77.926316
"1111951"	300.038792	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2K+H"	78.933592
"1348337"	300.126407	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+DMSO+H"	79.021207
"1020760"	304.165576	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2ACN+H"	83.060376
"1539370"	305.159208	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+IsoProp+Na+H"	84.054008
"1005453"	152.586426	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+2ACN+2H"	84.067652
"1601043"	306.073828	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+K+HCOOH"	84.968628
"1420507"	336.105338	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+H+CF3COOH"	115.000138
"1151887"	173.099701	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+3ACN+2H"	125.094202
"1708007"	353.131885	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+NH4+CF3COOH"	132.026685
"1649736"	358.08728	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+Na+CF3COOH"	136.98208
"1583681"	374.06122	"C14291"	"Carbofuran;22-Dimethyl-23-dihydro-7-benzofuranyl N-methylcarbamate"	"C12H15NO3"	"221.1052"	"M+K+CF3COOH"	152.95602
"801528"	268.0058	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M"	0
"976642"	248.98741	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-H2O-H"	-19.01839
"64884"	177.663257333333	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M-3H"	-3.021828
"506631"	266.998524	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M-3H"	-3.021828
"881151"	88.3279906666667	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-3H"	-3.021828
"15288"	266.998524	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M-2H"	-2.014552
"451327"	401.001424	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M-2H"	-2.014552
"829127"	132.995624	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-2H"	-2.014552
"83650"	535.004324	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M-H"	-1.007276
"530865"	803.010124	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M-H"	-1.007276
"897001"	266.998524	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-H"	-1.007276
"51381"	552.030871	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M-2H+NH4"	16.019271
"489846"	820.036671	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M-2H+NH4"	16.019271
"868013"	284.025071	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-2H+NH4"	16.019271
"38466"	556.986266	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M-2H+Na"	20.974666
"473040"	824.992066	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M-2H+Na"	20.974666
"855101"	288.980466	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-2H+Na"	20.974666
"1625363"	288.980466	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Na-2H"	20.974666
"109396"	284.986863	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M-H+Cl"	33.962126
"549606"	418.989763	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M-H+Cl"	33.962126
"941541"	150.983963	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-H+Cl"	33.962126
"279001"	570.981002	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+Cl"	34.969402
"671421"	838.986802	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+Cl"	34.969402
"1286385"	302.975202	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Cl"	34.969402
"27479"	572.960206	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M-2H+K"	36.948606
"467042"	840.966006	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M-2H+K"	36.948606
"840472"	304.954406	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-2H+K"	36.948606
"1561773"	304.954406	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+K-2H"	36.948606
"947467"	313.003994	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-H+HCOOH"	44.998194
"365682"	581.009801	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+HCOOH-H"	44.998201
"352848"	595.025451	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+Hac-H"	59.013851
"1500589"	327.019651	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Hac-H"	59.013851
"967036"	334.985951	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-H+NaCOOH"	66.980151
"118130"	302.975202	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+2Cl"	69.938804
"559879"	436.978102	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+2Cl"	69.938804
"1030866"	168.972302	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2Cl"	69.938804
"1247162"	346.924685	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Br"	78.918885
"1310709"	348.980672	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Cl+HCOOH"	80.974872
"1326017"	370.962629	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Cl+NaCOOH"	102.956829
"913796"	380.991386	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M-H+CF3COOH"	112.985586
"1289774"	416.968064	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Cl+CF3COOH"	148.962264
"1369027"	232.993124	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H-2H2O"	-35.012676
"1383362"	251.0031	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H-H2O"	-17.0027
"283781"	537.018876	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+H"	1.007276
"676564"	805.024676	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+H"	1.007276
"1354621"	269.013076	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H"	1.007276
"127512"	269.013076	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+2H"	2.014552
"567070"	403.015976	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+2H"	2.014552
"1040608"	135.010176	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2H"	2.014552
"205591"	179.677809333333	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+3H"	3.021828
"645519"	269.013076	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+3H"	3.021828
"1166926"	90.3425426666667	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+3H"	3.021828
"430199"	554.045423	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+NH4"	18.033823
"790100"	822.051223	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+NH4"	18.033823
"1686432"	286.039623	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+NH4"	18.033823
"335802"	277.5263495	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+H+NH4"	19.041099
"730410"	411.5292495	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+H+NH4"	19.041099
"1486419"	143.5234495	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H+NH4"	19.041099
"400725"	559.000818	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+Na"	22.989218
"762812"	827.006618	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+Na"	22.989218
"1610910"	290.995018	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Na"	22.989218
"325320"	280.004047	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+H+Na"	23.996494
"719929"	414.006947	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+H+Na"	23.996494
"1474114"	146.001147	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H+Na"	23.996494
"1065173"	97.6698566666667	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2H+Na"	25.00377
"1270867"	301.039286	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+CH3OH+H"	33.033486
"391628"	574.974758	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+K"	38.963158
"744969"	842.980558	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+K"	38.963158
"1544106"	306.968958	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+K"	38.963158
"306386"	287.991017	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+H+K"	39.970434
"703548"	421.993917	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+H+K"	39.970434
"1452628"	153.988117	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H+K"	39.970434
"246697"	578.045426	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+ACN+H"	42.033826
"1219405"	310.039626	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+ACN+H"	42.033826
"1202195"	155.523451	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+ACN+2H"	43.041102
"196160"	580.98276	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+2Na-H"	44.97116
"635726"	848.98856	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+2Na-H"	44.97116
"1136314"	312.97696	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2Na-H"	44.97116
"180335"	290.995018	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+2Na"	45.978436
"626090"	424.997918	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+2Na"	45.978436
"1127774"	156.992118	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2Na"	45.978436
"1412393"	104.997170666667	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H+2Na"	46.985712
"1443052"	315.018546	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H+HCOOH"	47.012746
"232018"	296.02804	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+3H2O+2H"	56.04448
"1520811"	329.07059	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+IsoProp+H"	61.06479
"418677"	298.981988	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+Na+K"	61.952376
"779673"	432.984888	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+Na+K"	61.952376
"1677101"	164.979088	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Na+K"	61.952376
"262525"	600.027368	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+ACN+Na"	64.015768
"1235969"	332.021568	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+ACN+Na"	64.015768
"1725215"	332.045093	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+NH4+HCOOH"	64.039293
"1189479"	112.324484666667	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+3Na"	68.967654
"1659370"	337.000488	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Na+HCOOH"	68.994688
"169518"	612.93064	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+2K-H"	76.91904
"610172"	880.93644	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+2K-H"	76.91904
"1098937"	344.92484	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2K-H"	76.91904
"155876"	306.968958	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"2M+2K"	77.926316
"585955"	440.971858	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"3M+2K"	77.926316
"1072289"	172.966058	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2K"	77.926316
"1108780"	346.939392	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2K+H"	78.933592
"1347353"	347.027007	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+DMSO+H"	79.021207
"1015883"	351.066176	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2ACN+H"	83.060376
"1537288"	352.059808	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+IsoProp+Na+H"	84.054008
"1002276"	176.036726	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+2ACN+2H"	84.067652
"1594955"	352.974428	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+K+HCOOH"	84.968628
"1421711"	383.005938	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+H+CF3COOH"	115.000138
"1149811"	196.550001	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+3ACN+2H"	125.094202
"1704837"	400.032485	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+NH4+CF3COOH"	132.026685
"1645954"	404.98788	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+Na+CF3COOH"	136.98208
"1580511"	420.96182	"C14292"	"Dichlorophen;22-Methylenebis(4-chlorophenol)"	"C13H10Cl2O2"	"268.0058"	"M+K+CF3COOH"	152.95602
"804314"	157.0375	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M"	0
"976752"	138.01911	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-H2O-H"	-19.01839
"63900"	103.684390666667	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M-3H"	-3.021828
"506741"	156.030224	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M-3H"	-3.021828
"881261"	51.3385573333333	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-3H"	-3.021828
"14060"	156.030224	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M-2H"	-2.014552
"450344"	234.548974	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M-2H"	-2.014552
"830331"	77.511474	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-2H"	-2.014552
"83760"	313.067724	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M-H"	-1.007276
"532069"	470.105224	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M-H"	-1.007276
"897112"	156.030224	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-H"	-1.007276
"50034"	330.094271	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M-2H+NH4"	16.019271
"489957"	487.131771	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M-2H+NH4"	16.019271
"867394"	173.056771	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-2H+NH4"	16.019271
"37847"	335.049666	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M-2H+Na"	20.974666
"472542"	492.087166	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M-2H+Na"	20.974666
"853025"	178.012166	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-2H+Na"	20.974666
"1624380"	178.012166	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Na-2H"	20.974666
"109670"	174.018563	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M-H+Cl"	33.962126
"549635"	252.537313	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M-H+Cl"	33.962126
"942008"	95.499813	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-H+Cl"	33.962126
"279111"	349.044402	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+Cl"	34.969402
"669345"	506.081902	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+Cl"	34.969402
"1286130"	192.006902	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Cl"	34.969402
"27589"	351.023606	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M-2H+K"	36.948606
"468245"	508.061106	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M-2H+K"	36.948606
"841675"	193.986106	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-2H+K"	36.948606
"1565163"	193.986106	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+K-2H"	36.948606
"948672"	202.035694	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-H+HCOOH"	44.998194
"367979"	359.073201	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+HCOOH-H"	44.998201
"354052"	373.088851	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+Hac-H"	59.013851
"1501427"	216.051351	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Hac-H"	59.013851
"969332"	224.017651	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-H+NaCOOH"	66.980151
"119333"	192.006902	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+2Cl"	69.938804
"558167"	270.525652	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+2Cl"	69.938804
"1030247"	113.488152	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2Cl"	69.938804
"1250552"	235.956385	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Br"	78.918885
"1309725"	238.012372	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Cl+HCOOH"	80.974872
"1327221"	259.994329	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Cl+NaCOOH"	102.956829
"912811"	270.023086	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M-H+CF3COOH"	112.985586
"1290615"	305.999764	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Cl+CF3COOH"	148.962264
"1368046"	122.024824	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H-2H2O"	-35.012676
"1384081"	140.0348	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H-H2O"	-17.0027
"284135"	315.082276	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+H"	1.007276
"677648"	472.119776	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+H"	1.007276
"1354731"	158.044776	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H"	1.007276
"127986"	158.044776	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+2H"	2.014552
"566816"	236.563526	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+2H"	2.014552
"1038167"	79.526026	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2H"	2.014552
"204605"	105.698942666667	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+3H"	3.021828
"646724"	158.044776	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+3H"	3.021828
"1165943"	53.3531093333333	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+3H"	3.021828
"433589"	332.108823	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+NH4"	18.033823
"796771"	489.146323	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+NH4"	18.033823
"1689822"	175.071323	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+NH4"	18.033823
"338099"	166.5580495	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+H+NH4"	19.041099
"730521"	245.0767995	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+H+NH4"	19.041099
"1486529"	88.0392995	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H+NH4"	19.041099
"401929"	337.064218	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+Na"	22.989218
"764016"	494.101718	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+Na"	22.989218
"1613207"	180.026718	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Na"	22.989218
"326525"	169.035747	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+H+Na"	23.996494
"717852"	247.554497	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+H+Na"	23.996494
"1472038"	90.516997	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H+Na"	23.996494
"1062367"	60.6804233333333	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2H+Na"	25.00377
"1269884"	190.070986	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+CH3OH+H"	33.033486
"389551"	353.038158	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+K"	38.963158
"745079"	510.075658	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+K"	38.963158
"1549321"	196.000658	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+K"	38.963158
"306497"	177.022717	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+H+K"	39.970434
"703291"	255.541467	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+H+K"	39.970434
"1453832"	98.503967	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H+K"	39.970434
"245715"	356.108826	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+ACN+H"	42.033826
"1220245"	199.071326	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+ACN+H"	42.033826
"1203400"	100.039301	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+ACN+2H"	43.041102
"197363"	359.04616	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+2Na-H"	44.97116
"639843"	516.08366	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+2Na-H"	44.97116
"1138248"	202.00866	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2Na-H"	44.97116
"182996"	180.026718	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+2Na"	45.978436
"624012"	258.545468	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+2Na"	45.978436
"1125334"	101.507968	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2Na"	45.978436
"1410317"	68.0077373333333	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H+2Na"	46.985712
"1440612"	204.050246	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H+HCOOH"	47.012746
"231763"	185.05974	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+3H2O+2H"	56.04448
"1520191"	218.10229	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+IsoProp+H"	61.06479
"419150"	188.013688	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+Na+K"	61.952376
"781237"	266.532438	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+Na+K"	61.952376
"1676476"	109.494938	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Na+K"	61.952376
"262267"	378.090768	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+ACN+Na"	64.015768
"1236439"	221.053268	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+ACN+Na"	64.015768
"1724232"	221.076793	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+NH4+HCOOH"	64.039293
"1190683"	75.3350513333333	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+3Na"	68.967654
"1658386"	226.032188	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Na+HCOOH"	68.994688
"170717"	390.99404	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+2K-H"	76.91904
"607000"	548.03154	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+2K-H"	76.91904
"1097953"	233.95654	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2K-H"	76.91904
"156675"	196.000658	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"2M+2K"	77.926316
"586795"	274.519408	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"3M+2K"	77.926316
"1073492"	117.481908	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2K"	77.926316
"1109983"	235.971092	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2K+H"	78.933592
"1347463"	236.058707	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+DMSO+H"	79.021207
"1018179"	240.097876	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2ACN+H"	83.060376
"1537032"	241.091508	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+IsoProp+Na+H"	84.054008
"1000563"	120.552576	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+2ACN+2H"	84.067652
"1593972"	242.006128	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+K+HCOOH"	84.968628
"1421821"	272.037638	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+H+CF3COOH"	115.000138
"1151015"	141.065851	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+3ACN+2H"	125.094202
"1704947"	289.064185	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+NH4+CF3COOH"	132.026685
"1639504"	294.01958	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+Na+CF3COOH"	136.98208
"1580621"	309.99352	"C14293"	"5-Nitro-2-furfuryl methyl ether;NF 45"	"C6H7NO4"	"157.0375"	"M+K+CF3COOH"	152.95602
"803330"	286.1205	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M"	0
"979047"	267.10211	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-H2O-H"	-19.01839
"64738"	189.739724	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M-3H"	-3.021828
"504664"	285.113224	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M-3H"	-3.021828
"881371"	94.366224	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-3H"	-3.021828
"14537"	285.113224	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M-2H"	-2.014552
"452641"	428.173474	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M-2H"	-2.014552
"830320"	142.052974	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-2H"	-2.014552
"87150"	571.233724	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M-H"	-1.007276
"529994"	857.354224	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M-H"	-1.007276
"897950"	285.113224	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-H"	-1.007276
"48679"	588.260271	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M-2H+NH4"	16.019271
"489334"	874.380771	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M-2H+NH4"	16.019271
"865677"	302.139771	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-2H+NH4"	16.019271
"33214"	593.215666	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M-2H+Na"	20.974666
"472044"	879.336166	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M-2H+Na"	20.974666
"850943"	307.095166	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-2H+Na"	20.974666
"1620844"	307.095166	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Na-2H"	20.974666
"104301"	303.101563	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M-H+Cl"	33.962126
"541674"	446.161813	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M-H+Cl"	33.962126
"930813"	160.041313	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-H+Cl"	33.962126
"274844"	607.210402	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+Cl"	34.969402
"671639"	893.330902	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+Cl"	34.969402
"1282956"	321.089902	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Cl"	34.969402
"27699"	609.189606	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M-2H+K"	36.948606
"468355"	895.310106	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M-2H+K"	36.948606
"839599"	323.069106	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-2H+K"	36.948606
"1564180"	323.069106	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+K-2H"	36.948606
"948782"	331.118694	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-H+HCOOH"	44.998194
"368089"	617.239201	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+HCOOH-H"	44.998201
"351975"	631.254851	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+Hac-H"	59.013851
"1500809"	345.134351	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Hac-H"	59.013851
"967255"	353.100651	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-H+NaCOOH"	66.980151
"120538"	321.089902	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+2Cl"	69.938804
"560100"	464.150152	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+2Cl"	69.938804
"1033273"	178.029652	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2Cl"	69.938804
"1250662"	365.039385	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Br"	78.918885
"1310929"	367.095372	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Cl+HCOOH"	80.974872
"1324779"	389.077329	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Cl+NaCOOH"	102.956829
"912192"	399.106086	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M-H+CF3COOH"	112.985586
"1290361"	435.082764	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Cl+CF3COOH"	148.962264
"1367427"	251.107824	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H-2H2O"	-35.012676
"1383828"	269.1178	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H-H2O"	-17.0027
"283882"	573.248276	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+H"	1.007276
"678489"	859.368776	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+H"	1.007276
"1354842"	287.127776	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H"	1.007276
"129919"	287.127776	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+2H"	2.014552
"566198"	430.188026	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+2H"	2.014552
"1037669"	144.067526	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2H"	2.014552
"206423"	191.754276	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+3H"	3.021828
"644523"	287.127776	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+3H"	3.021828
"1163867"	96.380776	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+3H"	3.021828
"425314"	590.274823	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+NH4"	18.033823
"790320"	876.395323	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+NH4"	18.033823
"1687745"	304.154323	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+NH4"	18.033823
"338209"	295.6410495	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+H+NH4"	19.041099
"728446"	438.7012995	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+H+NH4"	19.041099
"1481172"	152.5807995	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H+NH4"	19.041099
"396934"	595.230218	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+Na"	22.989218
"760845"	881.350718	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+Na"	22.989218
"1607850"	309.109718	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Na"	22.989218
"323355"	298.118747	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+H+Na"	23.996494
"715774"	441.178997	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+H+Na"	23.996494
"1469594"	155.058497	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H+Na"	23.996494
"1060654"	103.70809	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2H+Na"	25.00377
"1267804"	319.153986	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+CH3OH+H"	33.033486
"387471"	611.204158	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+K"	38.963158
"752842"	897.324658	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+K"	38.963158
"1550159"	325.083658	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+K"	38.963158
"310252"	306.105717	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+H+K"	39.970434
"701941"	449.165967	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+H+K"	39.970434
"1456854"	163.045467	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H+K"	39.970434
"242544"	614.274826	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+ACN+H"	42.033826
"1220355"	328.154326	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+ACN+H"	42.033826
"1201324"	164.580801	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+ACN+2H"	43.041102
"194194"	617.21216	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+2Na-H"	44.97116
"630109"	903.33266	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+2Na-H"	44.97116
"1141636"	331.09166	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2Na-H"	44.97116
"178367"	309.109718	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+2Na"	45.978436
"621206"	452.169968	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+2Na"	45.978436
"1125808"	166.049468	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2Na"	45.978436
"1409697"	111.035404	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H+2Na"	46.985712
"1442180"	333.133246	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H+HCOOH"	47.012746
"231873"	314.14274	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+3H2O+2H"	56.04448
"1520666"	347.18529	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+IsoProp+H"	61.06479
"419623"	317.096688	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+Na+K"	61.952376
"779888"	460.156938	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+Na+K"	61.952376
"1669657"	174.036438	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Na+K"	61.952376
"262376"	636.256768	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+ACN+Na"	64.015768
"1235456"	350.136268	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+ACN+Na"	64.015768
"1725071"	350.159793	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+NH4+HCOOH"	64.039293
"1191521"	118.362718	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+3Na"	68.967654
"1658496"	355.115188	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Na+HCOOH"	68.994688
"171557"	649.16004	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+2K-H"	76.91904
"609296"	935.28054	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+2K-H"	76.91904
"1097942"	363.03954	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2K-H"	76.91904
"156095"	325.083658	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"2M+2K"	77.926316
"588001"	468.143908	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"3M+2K"	77.926316
"1075790"	182.023408	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2K"	77.926316
"1107907"	365.054092	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2K+H"	78.933592
"1347573"	365.141707	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+DMSO+H"	79.021207
"1016102"	369.180876	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2ACN+H"	83.060376
"1538235"	370.174508	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+IsoProp+Na+H"	84.054008
"1001766"	185.094076	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+2ACN+2H"	84.067652
"1595175"	371.089128	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+K+HCOOH"	84.968628
"1424118"	401.120638	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+H+CF3COOH"	115.000138
"1152218"	205.607351	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+3ACN+2H"	125.094202
"1702870"	418.147185	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+NH4+CF3COOH"	132.026685
"1642894"	423.10258	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+Na+CF3COOH"	136.98208
"1580731"	439.07652	"C14294"	"Diphenolic acid;44-Bis(4-hydroxyphenyl)pentanoic acid"	"C17H18O4"	"286.1205"	"M+K+CF3COOH"	152.95602
"801981"	378.0733	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M"	0
"975026"	359.05491	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-H2O-H"	-19.01839
"65215"	251.041590666667	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M-3H"	-3.021828
"506961"	377.066024	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M-3H"	-3.021828
"881602"	125.017157333333	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-3H"	-3.021828
"12092"	377.066024	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M-2H"	-2.014552
"454696"	566.102674	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M-2H"	-2.014552
"830553"	188.029374	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-2H"	-2.014552
"90541"	755.139324	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M-H"	-1.007276
"531196"	1133.212624	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M-H"	-1.007276
"897330"	377.066024	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-H"	-1.007276
"49154"	772.165871	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M-2H+NH4"	16.019271
"489444"	1150.239171	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M-2H+NH4"	16.019271
"865908"	394.092571	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-2H+NH4"	16.019271
"33689"	777.121266	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M-2H+Na"	20.974666
"473368"	1155.194566	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M-2H+Na"	20.974666
"852146"	399.047966	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-2H+Na"	20.974666
"1620590"	399.047966	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Na-2H"	20.974666
"103317"	395.054363	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M-H+Cl"	33.962126
"542877"	584.091013	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M-H+Cl"	33.962126
"930923"	206.017713	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-H+Cl"	33.962126
"274954"	791.116002	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+Cl"	34.969402
"672478"	1169.189302	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+Cl"	34.969402
"1283066"	413.042702	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Cl"	34.969402
"27809"	793.095206	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M-2H+K"	36.948606
"466279"	1171.168506	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M-2H+K"	36.948606
"841896"	415.021906	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-2H+K"	36.948606
"1564292"	415.021906	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+K-2H"	36.948606
"951079"	423.071494	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-H+HCOOH"	44.998194
"369293"	801.144801	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+HCOOH-H"	44.998201
"352086"	815.160451	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+Hac-H"	59.013851
"1502013"	437.087151	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Hac-H"	59.013851
"968459"	445.053451	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-H+NaCOOH"	66.980151
"119555"	413.042702	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+2Cl"	69.938804
"560211"	602.079352	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+2Cl"	69.938804
"1029012"	224.006052	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2Cl"	69.938804
"1250772"	456.992185	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Br"	78.918885
"1313226"	459.048172	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Cl+HCOOH"	80.974872
"1327442"	481.030129	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Cl+NaCOOH"	102.956829
"914126"	491.058886	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M-H+CF3COOH"	112.985586
"1291200"	527.035564	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Cl+CF3COOH"	148.962264
"1368267"	343.060624	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H-2H2O"	-35.012676
"1384305"	361.0706	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H-H2O"	-17.0027
"285086"	757.153876	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+H"	1.007276
"676777"	1135.227176	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+H"	1.007276
"1358232"	379.080576	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H"	1.007276
"132216"	379.080576	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+2H"	2.014552
"567766"	568.117226	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+2H"	2.014552
"1039482"	190.043926	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2H"	2.014552
"208479"	253.056142666667	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+3H"	3.021828
"645242"	379.080576	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+3H"	3.021828
"1165070"	127.031709333333	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+3H"	3.021828
"425424"	774.180423	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+NH4"	18.033823
"792616"	1152.253723	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+NH4"	18.033823
"1687854"	396.107123	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+NH4"	18.033823
"338319"	387.5938495	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+H+NH4"	19.041099
"729648"	576.6304995	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+H+NH4"	19.041099
"1483468"	198.5571995	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H+NH4"	19.041099
"399959"	779.135818	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+Na"	22.989218
"763140"	1157.209118	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+Na"	22.989218
"1610147"	401.062518	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Na"	22.989218
"323464"	390.071547	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+H+Na"	23.996494
"715886"	579.108197	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+H+Na"	23.996494
"1469704"	201.034897	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H+Na"	23.996494
"1057848"	134.359023333333	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2H+Na"	25.00377
"1267914"	411.106786	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+CH3OH+H"	33.033486
"389770"	795.109758	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+K"	38.963158
"751863"	1173.183058	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+K"	38.963158
"1548446"	417.036458	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+K"	38.963158
"307809"	398.058517	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+H+K"	39.970434
"702415"	587.095167	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+H+K"	39.970434
"1456234"	209.021867	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H+K"	39.970434
"247024"	798.180426	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+ACN+H"	42.033826
"1220827"	420.107126	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+ACN+H"	42.033826
"1204712"	210.557201	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+ACN+2H"	43.041102
"196490"	801.11776	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+2Na-H"	44.97116
"632406"	1179.19106	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+2Na-H"	44.97116
"1139560"	423.04446	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2Na-H"	44.97116
"179570"	401.062518	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+2Na"	45.978436
"616213"	590.099168	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+2Na"	45.978436
"1119357"	212.025868	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2Na"	45.978436
"1406161"	141.686337333333	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H+2Na"	46.985712
"1437182"	425.086046	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H+HCOOH"	47.012746
"223596"	406.09554	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+3H2O+2H"	56.04448
"1514939"	439.13809	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+IsoProp+H"	61.06479
"417905"	409.049488	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+Na+K"	61.952376
"776712"	598.086138	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+Na+K"	61.952376
"1671953"	220.012838	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Na+K"	61.952376
"258474"	820.162368	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+ACN+Na"	64.015768
"1233377"	442.089068	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+ACN+Na"	64.015768
"1720078"	442.112593	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+NH4+HCOOH"	64.039293
"1191631"	149.013651333333	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+3Na"	68.967654
"1658605"	447.067988	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Na+HCOOH"	68.994688
"170937"	833.06564	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+2K-H"	76.91904
"608313"	1211.13894	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+2K-H"	76.91904
"1097201"	454.99234	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2K-H"	76.91904
"152924"	417.036458	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"2M+2K"	77.926316
"595644"	606.073108	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"3M+2K"	77.926316
"1083317"	227.999808	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2K"	77.926316
"1112392"	457.006892	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2K+H"	78.933592
"1346588"	457.094507	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+DMSO+H"	79.021207
"1017304"	461.133676	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2ACN+H"	83.060376
"1534334"	462.127308	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+IsoProp+Na+H"	84.054008
"999688"	231.070476	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+2ACN+2H"	84.067652
"1589818"	463.041928	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+K+HCOOH"	84.968628
"1424228"	493.073438	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+H+CF3COOH"	115.000138
"1149412"	251.583751	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+3ACN+2H"	125.094202
"1700792"	510.099985	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+NH4+CF3COOH"	132.026685
"1643004"	515.05538	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+Na+CF3COOH"	136.98208
"1580841"	531.02932	"C14295"	"Ritipenem acoxil hydrate;Penemac;FCTA-891"	"C13H16N2O8SH2O"	"378.0733"	"M+K+CF3COOH"	152.95602
"811205"	387.2198	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M"	0
"978178"	368.20141	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H2O-H"	-19.01839
"65689"	257.139257333333	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-3H"	-3.021828
"505978"	386.212524	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-3H"	-3.021828
"885965"	128.065990666667	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-3H"	-3.021828
"12202"	386.212524	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H"	-2.014552
"455594"	579.822424	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H"	-2.014552
"832244"	192.602624	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H"	-2.014552
"92596"	773.432324	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-H"	-1.007276
"533981"	1160.652124	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-H"	-1.007276
"899997"	386.212524	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H"	-1.007276
"51456"	790.458871	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H+NH4"	16.019271
"490647"	1177.678671	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H+NH4"	16.019271
"866016"	403.239071	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H+NH4"	16.019271
"33555"	795.414266	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H+Na"	20.974666
"474453"	1182.634066	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H+Na"	20.974666
"853351"	408.194466	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H+Na"	20.974666
"1623616"	408.194466	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na-2H"	20.974666
"103427"	404.200863	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-H+Cl"	33.962126
"544080"	597.810763	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-H+Cl"	33.962126
"931397"	210.590963	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+Cl"	33.962126
"276157"	809.409002	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Cl"	34.969402
"671494"	1196.628802	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Cl"	34.969402
"1285365"	422.189202	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl"	34.969402
"28649"	811.388206	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H+K"	36.948606
"466755"	1198.608006	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H+K"	36.948606
"838727"	424.168406	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H+K"	36.948606
"1562213"	424.168406	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K-2H"	36.948606
"946817"	432.217994	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+HCOOH"	44.998194
"368310"	819.437801	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+HCOOH-H"	44.998201
"350737"	833.453451	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Hac-H"	59.013851
"1498477"	446.233651	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Hac-H"	59.013851
"967477"	454.199951	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+NaCOOH"	66.980151
"117477"	422.189202	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Cl"	69.938804
"560319"	615.799102	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Cl"	69.938804
"1033493"	228.579302	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Cl"	69.938804
"1250882"	466.138685	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Br"	78.918885
"1314429"	468.194672	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl+HCOOH"	80.974872
"1330832"	490.176629	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl+NaCOOH"	102.956829
"914965"	500.205386	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+CF3COOH"	112.985586
"1292403"	536.182064	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Cl+CF3COOH"	148.962264
"1368375"	352.207124	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H-2H2O"	-35.012676
"1385871"	370.2171	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H-H2O"	-17.0027
"288474"	775.446876	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H"	1.007276
"679801"	1162.666676	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H"	1.007276
"1360529"	388.227076	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H"	1.007276
"133419"	388.227076	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2H"	2.014552
"568970"	581.836976	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2H"	2.014552
"1041780"	194.617176	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2H"	2.014552
"212964"	259.153809333333	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+3H"	3.021828
"654710"	388.227076	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+3H"	3.021828
"1170649"	130.080542666667	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3H"	3.021828
"432829"	792.473423	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+NH4"	18.033823
"791637"	1179.693223	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+NH4"	18.033823
"1692340"	405.253623	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4"	18.033823
"340619"	396.7403495	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+NH4"	19.041099
"731946"	590.3502495	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+NH4"	19.041099
"1485766"	203.1304495	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+NH4"	19.041099
"402259"	797.428818	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Na"	22.989218
"764346"	1184.648618	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Na"	22.989218
"1612445"	410.209018	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na"	22.989218
"323575"	399.218047	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+Na"	23.996494
"717090"	592.827947	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+Na"	23.996494
"1469816"	205.608147	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+Na"	23.996494
"1057594"	137.407856666667	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2H+Na"	25.00377
"1269117"	420.253286	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+CH3OH+H"	33.033486
"390973"	813.402758	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+K"	38.963158
"753063"	1200.622558	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+K"	38.963158
"1550743"	426.182958	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K"	38.963158
"307919"	407.205017	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+K"	39.970434
"703619"	600.814917	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+K"	39.970434
"1457438"	213.595117	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+K"	39.970434
"249320"	816.473426	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+ACN+H"	42.033826
"1220937"	429.253626	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+H"	42.033826
"1202636"	215.130451	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+2H"	43.041102
"197693"	819.41076	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Na-H"	44.97116
"629600"	1206.63056	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Na-H"	44.97116
"1134566"	432.19096	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Na-H"	44.97116
"175307"	410.209018	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Na"	45.978436
"617052"	603.818918	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Na"	45.978436
"1118370"	216.599118	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Na"	45.978436
"1401895"	144.735170666667	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+2Na"	46.985712
"1433279"	434.232546	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+HCOOH"	47.012746
"222975"	415.24204	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+3H2O+2H"	56.04448
"1513953"	448.28459	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+IsoProp+H"	61.06479
"413638"	418.195988	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Na+K"	61.952376
"773542"	611.805888	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Na+K"	61.952376
"1670968"	224.586088	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+K"	61.952376
"260770"	838.455368	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+ACN+Na"	64.015768
"1235672"	451.235568	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+Na"	64.015768
"1722374"	451.259093	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4+HCOOH"	64.039293
"1193565"	152.062484666667	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3Na"	68.967654
"1658715"	456.214488	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+HCOOH"	68.994688
"171779"	851.35864	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2K-H"	76.91904
"612722"	1238.57844	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2K-H"	76.91904
"1099813"	464.13884	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K-H"	76.91904
"156314"	426.182958	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2K"	77.926316
"596727"	619.792858	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2K"	77.926316
"1083305"	232.573058	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K"	77.926316
"1115421"	466.153392	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K+H"	78.933592
"1349616"	466.241007	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+DMSO+H"	79.021207
"1016321"	470.280176	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2ACN+H"	83.060376
"1534445"	471.273808	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+IsoProp+Na+H"	84.054008
"999798"	235.643726	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2ACN+2H"	84.067652
"1592115"	472.188428	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K+HCOOH"	84.968628
"1424338"	502.219938	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+CF3COOH"	115.000138
"1149158"	256.157001	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3ACN+2H"	125.094202
"1701995"	519.246485	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4+CF3COOH"	132.026685
"1643113"	524.20188	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+CF3COOH"	136.98208
"1580951"	540.17582	"C14296"	"Droloxifene;3-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K+CF3COOH"	152.95602
"808034"	186.0681	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M"	0
"988127"	167.04971	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"74182"	123.038124	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"511555"	185.060824	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"890449"	61.015424	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"11218"	185.060824	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"454958"	278.094874	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"832073"	92.026774	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"92948"	371.128924	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"532509"	557.197024	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"900836"	185.060824	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"51930"	388.155471	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"490396"	574.223571	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"868196"	202.087371	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"35004"	393.110866	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"476386"	579.178966	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"854190"	207.042766	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1627006"	207.042766	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"102444"	203.049163	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"544190"	296.083213	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"933329"	110.015113	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"281007"	407.105602	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"671604"	593.173702	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1285475"	221.037502	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"25483"	409.084806	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"463219"	595.152906	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"839930"	223.016706	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1564510"	223.016706	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"949114"	231.066294	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"371701"	417.134401	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"349754"	431.150051	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1501139"	245.081951	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"968680"	253.048251	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"117587"	221.037502	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"561523"	314.071552	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1032876"	128.003452	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1254273"	264.986985	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1315632"	267.042972	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1330942"	289.024929	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"917628"	299.053686	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1292878"	335.030364	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1371039"	151.055424	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1388169"	169.0654	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"287491"	373.143476	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"681005"	559.211576	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1357359"	187.075376	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"130612"	187.075376	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"571996"	280.109426	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1045170"	94.041326	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"211980"	125.052676	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"655914"	187.075376	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1172946"	63.029976	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"434034"	390.170023	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"793934"	576.238123	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1689173"	204.101923	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"339637"	195.5886495	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"729872"	288.6226995	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1485879"	102.5545995	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"403464"	395.125418	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"765551"	581.193518	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1615471"	209.057318	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"325875"	198.066347	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"718294"	291.100397	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1472112"	105.032297	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1058797"	70.35729	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1270320"	219.101586	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"391083"	411.099358	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"754177"	597.167458	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1554134"	225.031258	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"312406"	206.053317	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"701543"	299.087367	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1455363"	113.019267	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"249312"	414.170026	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1221047"	228.101926	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1203838"	114.554601	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"197804"	417.10736	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"635178"	603.17546	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1136133"	231.03926	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"177604"	209.057318	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"617890"	302.091368	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1118844"	116.023268	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1402005"	77.684604	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1433023"	233.080846	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"223449"	214.09034	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1514063"	247.13289	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"413751"	217.044288	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"774380"	310.078338	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1669256"	124.010238	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"257598"	436.151968	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1236876"	250.083868	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1722484"	250.107393	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1186747"	85.011918	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1658825"	255.062788	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"166782"	449.05524	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"609623"	635.12334	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1098757"	262.98714	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"153143"	225.031258	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"594889"	318.065308	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1083049"	131.997208	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1112611"	265.001692	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1344624"	265.089307	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1015338"	269.128476	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1535648"	270.122108	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"1001002"	135.067876	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1595504"	271.036728	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1424448"	301.068238	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1152548"	155.581151	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1701011"	318.094785	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1646139"	323.05018	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1584341"	339.02412	"C14297"	"44-Dihydroxybiphenyl;44-Biphenyldiol"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"802190"	200.0837	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M"	0
"981677"	181.06531	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-H2O-H"	-19.01839
"68825"	132.381857333333	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M-3H"	-3.021828
"506198"	199.076424	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M-3H"	-3.021828
"881812"	65.6872906666667	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-3H"	-3.021828
"10235"	199.076424	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M-2H"	-2.014552
"453081"	299.118274	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M-2H"	-2.014552
"830883"	99.034574	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-2H"	-2.014552
"91965"	399.160124	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M-H"	-1.007276
"530433"	599.243824	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M-H"	-1.007276
"899852"	199.076424	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-H"	-1.007276
"50947"	416.186671	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M-2H+NH4"	16.019271
"491600"	616.270371	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M-2H+NH4"	16.019271
"867942"	216.102971	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-2H+NH4"	16.019271
"35843"	421.142066	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M-2H+Na"	20.974666
"473944"	621.225766	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M-2H+Na"	20.974666
"853207"	221.058366	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-2H+Na"	20.974666
"1627116"	221.058366	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Na-2H"	20.974666
"104740"	217.064763	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M-H+Cl"	33.962126
"544300"	317.106613	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M-H+Cl"	33.962126
"933439"	117.022913	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-H+Cl"	33.962126
"279659"	435.136802	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+Cl"	34.969402
"669891"	635.220502	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+Cl"	34.969402
"1284491"	235.053102	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Cl"	34.969402
"24864"	437.116006	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M-2H+K"	36.948606
"463329"	637.199706	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M-2H+K"	36.948606
"841133"	237.032306	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-2H+K"	36.948606
"1563527"	237.032306	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+K-2H"	36.948606
"949588"	245.081894	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-H+HCOOH"	44.998194
"369624"	445.165601	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+HCOOH-H"	44.998201
"352780"	459.181251	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+Hac-H"	59.013851
"1500156"	259.097551	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Hac-H"	59.013851
"967697"	267.063851	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-H+NaCOOH"	66.980151
"117697"	235.053102	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+2Cl"	69.938804
"560540"	335.094952	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+2Cl"	69.938804
"1033350"	135.011252	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2Cl"	69.938804
"1254383"	279.002585	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Br"	78.918885
"1314648"	281.058572	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Cl+HCOOH"	80.974872
"1331051"	303.040529	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Cl+NaCOOH"	102.956829
"915550"	313.069286	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M-H+CF3COOH"	112.985586
"1293352"	349.045964	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Cl+CF3COOH"	148.962264
"1370419"	165.071024	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H-2H2O"	-35.012676
"1389008"	183.081	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H-H2O"	-17.0027
"287966"	401.174676	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+H"	1.007276
"682209"	601.258376	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+H"	1.007276
"1356011"	201.090976	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H"	1.007276
"131452"	201.090976	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+2H"	2.014552
"569919"	301.132826	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+2H"	2.014552
"1046373"	101.049126	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2H"	2.014552
"215370"	134.396409333333	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+3H"	3.021828
"653837"	201.090976	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+3H"	3.021828
"1173786"	67.7018426666667	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+3H"	3.021828
"434142"	418.201223	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+NH4"	18.033823
"796232"	618.284923	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+NH4"	18.033823
"1691470"	218.117523	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+NH4"	18.033823
"341933"	209.6042495	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+H+NH4"	19.041099
"732170"	309.6460995	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+H+NH4"	19.041099
"1485988"	109.5623995	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H+NH4"	19.041099
"402482"	423.156618	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+Na"	22.989218
"765660"	623.240318	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+Na"	22.989218
"1615946"	223.072918	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Na"	22.989218
"328171"	212.081947	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+H+Na"	23.996494
"718404"	312.123797	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+H+Na"	23.996494
"1472224"	112.040097	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H+Na"	23.996494
"1057085"	75.0291566666667	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2H+Na"	25.00377
"1269337"	233.117186	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+CH3OH+H"	33.033486
"391193"	439.130558	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+K"	38.963158
"754060"	639.214258	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+K"	38.963158
"1553151"	239.046858	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+K"	38.963158
"311423"	220.068917	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+H+K"	39.970434
"701653"	320.110767	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+H+K"	39.970434
"1457296"	120.027067	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H+K"	39.970434
"250515"	442.201226	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+ACN+H"	42.033826
"1221157"	242.117526	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+ACN+H"	42.033826
"1202855"	121.562401	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+ACN+2H"	43.041102
"194634"	445.13856	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+2Na-H"	44.97116
"632373"	645.22226	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+2Na-H"	44.97116
"1134421"	245.05486	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2Na-H"	44.97116
"183178"	223.072918	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+2Na"	45.978436
"618364"	323.114768	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+2Na"	45.978436
"1118953"	123.031068	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2Na"	45.978436
"1404302"	82.3564706666667	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H+2Na"	46.985712
"1431678"	247.096446	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H+HCOOH"	47.012746
"223925"	228.10594	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+3H2O+2H"	56.04448
"1515266"	261.14849	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+IsoProp+H"	61.06479
"414955"	231.059888	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+Na+K"	61.952376
"773761"	331.101738	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+Na+K"	61.952376
"1669002"	131.018038	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Na+K"	61.952376
"257708"	464.183168	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+ACN+Na"	64.015768
"1235893"	264.099468	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+ACN+Na"	64.015768
"1721500"	264.122993	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+NH4+HCOOH"	64.039293
"1186857"	89.6837846666667	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+3Na"	68.967654
"1656749"	269.078388	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Na+HCOOH"	68.994688
"170173"	477.08644	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+2K-H"	76.91904
"608639"	677.17014	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+2K-H"	76.91904
"1098624"	277.00274	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2K-H"	76.91904
"154347"	239.046858	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"2M+2K"	77.926316
"591718"	339.088708	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"3M+2K"	77.926316
"1081698"	139.005008	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2K"	77.926316
"1112720"	279.017292	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2K+H"	78.933592
"1349835"	279.104907	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+DMSO+H"	79.021207
"1019583"	283.144076	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2ACN+H"	83.060376
"1533572"	284.137708	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+IsoProp+Na+H"	84.054008
"1001113"	142.075676	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+2ACN+2H"	84.067652
"1594520"	285.052328	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+K+HCOOH"	84.968628
"1423465"	315.083838	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+H+CF3COOH"	115.000138
"1154845"	162.588951	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+3ACN+2H"	125.094202
"1702214"	332.110385	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+NH4+CF3COOH"	132.026685
"1646249"	337.06578	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+Na+CF3COOH"	136.98208
"1584451"	353.03972	"C14298"	"Bis(4-hydroxyphenyl)methane;44-Dihydroxydiphenylmethane;Bisphenol F"	"C13H12O2"	"200.0837"	"M+K+CF3COOH"	152.95602
"811535"	240.089	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M"	0
"981787"	221.07061	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-H2O-H"	-19.01839
"68935"	159.052057333333	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M-3H"	-3.021828
"509589"	239.081724	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M-3H"	-3.021828
"881922"	79.0223906666667	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-3H"	-3.021828
"10344"	239.081724	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M-2H"	-2.014552
"453920"	359.126224	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M-2H"	-2.014552
"830265"	119.037224	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-2H"	-2.014552
"92075"	479.170724	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M-H"	-1.007276
"529450"	719.259724	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M-H"	-1.007276
"898505"	239.081724	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-H"	-1.007276
"51788"	496.197271	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M-2H+NH4"	16.019271
"493534"	736.286271	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M-2H+NH4"	16.019271
"868054"	256.108271	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-2H+NH4"	16.019271
"38143"	501.152666	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M-2H+Na"	20.974666
"475514"	741.241666	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M-2H+Na"	20.974666
"856598"	261.063666	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-2H+Na"	20.974666
"1627226"	261.063666	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Na-2H"	20.974666
"103757"	257.070063	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M-H+Cl"	33.962126
"544410"	377.114563	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M-H+Cl"	33.962126
"929176"	137.025563	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-H+Cl"	33.962126
"281591"	515.147402	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+Cl"	34.969402
"671824"	755.236402	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+Cl"	34.969402
"1282415"	275.058402	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Cl"	34.969402
"24974"	517.126606	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M-2H+K"	36.948606
"463438"	757.215606	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M-2H+K"	36.948606
"836868"	277.037606	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-2H+K"	36.948606
"1561452"	277.037606	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+K-2H"	36.948606
"950426"	285.087194	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-H+HCOOH"	44.998194
"368641"	525.176201	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+HCOOH-H"	44.998201
"350338"	539.191851	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+Hac-H"	59.013851
"1502453"	299.102851	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Hac-H"	59.013851
"968900"	307.069151	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-H+NaCOOH"	66.980151
"117807"	275.058402	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+2Cl"	69.938804
"557371"	395.102902	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+2Cl"	69.938804
"1032731"	155.013902	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2Cl"	69.938804
"1254493"	319.007885	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Br"	78.918885
"1313667"	321.063872	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Cl+HCOOH"	80.974872
"1330068"	343.045829	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Cl+NaCOOH"	102.956829
"917848"	353.074586	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M-H+CF3COOH"	112.985586
"1294191"	389.051264	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Cl+CF3COOH"	148.962264
"1370893"	205.076324	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H-2H2O"	-35.012676
"1390211"	223.0863	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H-H2O"	-17.0027
"288806"	481.185276	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+H"	1.007276
"679037"	721.274276	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+H"	1.007276
"1357579"	241.096276	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H"	1.007276
"130469"	241.096276	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+2H"	2.014552
"573309"	361.140776	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+2H"	2.014552
"1047576"	121.051776	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2H"	2.014552
"216573"	161.066609333333	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+3H"	3.021828
"650665"	241.096276	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+3H"	3.021828
"1174259"	81.0369426666667	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+3H"	3.021828
"434253"	498.211823	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+NH4"	18.033823
"797071"	738.300823	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+NH4"	18.033823
"1689393"	258.122823	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+NH4"	18.033823
"339857"	249.6095495	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+H+NH4"	19.041099
"733373"	369.6540495	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+H+NH4"	19.041099
"1486098"	129.5650495	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H+NH4"	19.041099
"404776"	503.167218	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+Na"	22.989218
"765771"	743.256218	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+Na"	22.989218
"1616420"	263.078218	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Na"	22.989218
"328280"	252.087247	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+H+Na"	23.996494
"716327"	372.131747	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+H+Na"	23.996494
"1473426"	132.042747	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H+Na"	23.996494
"1059018"	88.3642566666667	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2H+Na"	25.00377
"1270905"	273.122486	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+CH3OH+H"	33.033486
"391303"	519.141158	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+K"	38.963158
"753600"	759.230158	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+K"	38.963158
"1553261"	279.052158	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+K"	38.963158
"310439"	260.074217	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+H+K"	39.970434
"702856"	380.118717	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+H+K"	39.970434
"1459228"	140.029717	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H+K"	39.970434
"248195"	522.211826	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+ACN+H"	42.033826
"1221267"	282.122826	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+ACN+H"	42.033826
"1201871"	141.565051	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+ACN+2H"	43.041102
"192555"	525.14916	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+2Na-H"	44.97116
"633212"	765.23816	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+2Na-H"	44.97116
"1134163"	285.06016	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2Na-H"	44.97116
"177821"	263.078218	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+2Na"	45.978436
"616651"	383.122718	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+2Na"	45.978436
"1119787"	143.033718	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2Na"	45.978436
"1401491"	95.6915706666667	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H+2Na"	46.985712
"1432150"	287.101746	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H+HCOOH"	47.012746
"222940"	268.11124	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+3H2O+2H"	56.04448
"1515376"	301.15379	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+IsoProp+H"	61.06479
"411783"	271.065188	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+Na+K"	61.952376
"774963"	391.109688	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+Na+K"	61.952376
"1672390"	151.020688	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Na+K"	61.952376
"256724"	544.193768	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+ACN+Na"	64.015768
"1237096"	304.104768	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+ACN+Na"	64.015768
"1720878"	304.128293	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+NH4+HCOOH"	64.039293
"1186961"	103.018884666667	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+3Na"	68.967654
"1660137"	309.083688	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Na+HCOOH"	68.994688
"164811"	557.09704	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+2K-H"	76.91904
"607656"	797.18604	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+2K-H"	76.91904
"1099749"	317.00804	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2K-H"	76.91904
"155551"	279.052158	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"2M+2K"	77.926316
"592922"	399.096658	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"3M+2K"	77.926316
"1077434"	159.007658	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2K"	77.926316
"1114654"	319.022592	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2K+H"	78.933592
"1344844"	319.110207	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+DMSO+H"	79.021207
"1019693"	323.149376	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2ACN+H"	83.060376
"1535869"	324.143008	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+IsoProp+Na+H"	84.054008
"1000129"	162.078326	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+2ACN+2H"	84.067652
"1599005"	325.057628	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+K+HCOOH"	84.968628
"1423575"	355.089138	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+H+CF3COOH"	115.000138
"1154955"	182.591601	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+3ACN+2H"	125.094202
"1700138"	372.115685	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+NH4+CF3COOH"	132.026685
"1646359"	377.07108	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+Na+CF3COOH"	136.98208
"1584561"	393.04502	"C14299"	"Cyanazine"	"C9H13ClN6"	"240.089"	"M+K+CF3COOH"	152.95602
"802289"	306.1831	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M"	0
"981897"	287.16471	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-H2O-H"	-19.01839
"69045"	203.114790666667	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M-3H"	-3.021828
"511886"	305.175824	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M-3H"	-3.021828
"880936"	101.053757333333	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-3H"	-3.021828
"10455"	305.175824	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M-2H"	-2.014552
"444548"	458.267374	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M-2H"	-2.014552
"830859"	152.084274	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-2H"	-2.014552
"91092"	611.358924	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M-H"	-1.007276
"528465"	917.542024	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M-H"	-1.007276
"906270"	305.175824	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-H"	-1.007276
"51898"	628.385471	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M-2H+NH4"	16.019271
"492551"	934.568571	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M-2H+NH4"	16.019271
"868165"	322.202371	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-2H+NH4"	16.019271
"41533"	633.340866	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M-2H+Na"	20.974666
"478906"	939.523966	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M-2H+Na"	20.974666
"858898"	327.157766	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-2H+Na"	20.974666
"1629524"	327.157766	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Na-2H"	20.974666
"106054"	323.164163	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M-H+Cl"	33.962126
"543428"	476.255713	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M-H+Cl"	33.962126
"936943"	170.072613	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-H+Cl"	33.962126
"279879"	647.335602	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+Cl"	34.969402
"671206"	953.518702	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+Cl"	34.969402
"1281430"	341.152502	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Cl"	34.969402
"26177"	649.314806	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M-2H+K"	36.948606
"462818"	955.497906	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M-2H+K"	36.948606
"842446"	343.131706	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-2H+K"	36.948606
"1563747"	343.131706	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+K-2H"	36.948606
"951631"	351.181294	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-H+HCOOH"	44.998194
"367658"	657.364401	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+HCOOH-H"	44.998201
"352636"	671.380051	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+Hac-H"	59.013851
"1498916"	365.196951	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Hac-H"	59.013851
"969011"	373.163251	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-H+NaCOOH"	66.980151
"121197"	341.152502	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+2Cl"	69.938804
"560759"	494.244052	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+2Cl"	69.938804
"1033931"	188.060952	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2Cl"	69.938804
"1251322"	385.101985	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Br"	78.918885
"1315961"	387.157972	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Cl+HCOOH"	80.974872
"1329084"	409.139929	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Cl+NaCOOH"	102.956829
"917958"	419.168686	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M-H+CF3COOH"	112.985586
"1292844"	455.145364	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Cl+CF3COOH"	148.962264
"1370275"	271.170424	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H-2H2O"	-35.012676
"1389227"	289.1804	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H-H2O"	-17.0027
"287822"	613.373476	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+H"	1.007276
"678054"	919.556576	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+H"	1.007276
"1359877"	307.190376	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H"	1.007276
"133859"	307.190376	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+2H"	2.014552
"574513"	460.281926	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+2H"	2.014552
"1047686"	154.098826	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2H"	2.014552
"213403"	205.129342666667	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+3H"	3.021828
"654057"	307.190376	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+3H"	3.021828
"1175463"	103.068309333333	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+3H"	3.021828
"437279"	630.400023	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+NH4"	18.033823
"800221"	936.583123	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+NH4"	18.033823
"1693878"	324.216923	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+NH4"	18.033823
"344829"	315.7036495	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+H+NH4"	19.041099
"733483"	468.7951995	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+H+NH4"	19.041099
"1487304"	162.6120995	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H+NH4"	19.041099
"402703"	635.355418	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+Na"	22.989218
"768069"	941.538518	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+Na"	22.989218
"1617626"	329.172318	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Na"	22.989218
"328879"	318.181347	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+H+Na"	23.996494
"718624"	471.272897	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+H+Na"	23.996494
"1472444"	165.089797	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H+Na"	23.996494
"1061314"	110.395623333333	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2H+Na"	25.00377
"1270650"	339.216586	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+CH3OH+H"	33.033486
"391658"	651.329358	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+K"	38.963158
"753021"	957.512458	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+K"	38.963158
"1552278"	345.146258	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+K"	38.963158
"310549"	326.168317	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+H+K"	39.970434
"702966"	479.259867	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+H+K"	39.970434
"1455693"	173.076767	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H+K"	39.970434
"248670"	654.400026	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+ACN+H"	42.033826
"1223929"	348.216926	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+ACN+H"	42.033826
"1204168"	174.612101	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+ACN+2H"	43.041102
"194851"	657.33736	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+2Na-H"	44.97116
"632956"	963.52046	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+2Na-H"	44.97116
"1135005"	351.15426	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2Na-H"	44.97116
"178295"	329.172318	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+2Na"	45.978436
"617489"	482.263868	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+2Na"	45.978436
"1119169"	176.080768	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2Na"	45.978436
"1400144"	117.722937333333	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H+2Na"	46.985712
"1432262"	353.195846	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H+HCOOH"	47.012746
"221957"	334.20534	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+3H2O+2H"	56.04448
"1515487"	367.24789	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+IsoProp+H"	61.06479
"412987"	337.159288	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+Na+K"	61.952376
"773252"	490.250838	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+Na+K"	61.952376
"1677243"	184.067738	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Na+K"	61.952376
"262304"	676.381968	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+ACN+Na"	64.015768
"1232102"	370.198868	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+ACN+Na"	64.015768
"1719530"	370.222393	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+NH4+HCOOH"	64.039293
"1183790"	125.050251333333	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+3Na"	68.967654
"1659153"	375.177788	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Na+HCOOH"	68.994688
"163828"	689.28524	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+2K-H"	76.91904
"607766"	995.46834	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+2K-H"	76.91904
"1096652"	383.10214	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2K-H"	76.91904
"155903"	345.146258	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"2M+2K"	77.926316
"590845"	498.237808	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"3M+2K"	77.926316
"1081919"	192.054708	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2K"	77.926316
"1111850"	385.116692	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2K+H"	78.933592
"1346047"	385.204307	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+DMSO+H"	79.021207
"1018831"	389.243476	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2ACN+H"	83.060376
"1538050"	390.237108	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+IsoProp+Na+H"	84.054008
"1004253"	195.125376	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+2ACN+2H"	84.067652
"1602443"	391.151728	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+K+HCOOH"	84.968628
"1426964"	421.183238	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+H+CF3COOH"	115.000138
"1151784"	215.638651	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+3ACN+2H"	125.094202
"1701341"	438.209785	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+NH4+CF3COOH"	132.026685
"1643553"	443.16518	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+Na+CF3COOH"	136.98208
"1584671"	459.13912	"C14300"	"Di-n-pentyl phthalate;Diamyl phthalate"	"C18H26O4"	"306.1831"	"M+K+CF3COOH"	152.95602
"803371"	367.9096	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M"	0
"978725"	348.89121	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-H2O-H"	-19.01839
"66968"	244.265790666667	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M-3H"	-3.021828
"509809"	366.902324	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M-3H"	-3.021828
"883234"	121.629257333333	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-3H"	-3.021828
"11294"	366.902324	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M-2H"	-2.014552
"442468"	550.857124	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M-2H"	-2.014552
"830118"	182.947524	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-2H"	-2.014552
"91202"	734.811924	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M-H"	-1.007276
"528575"	1102.721524	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M-H"	-1.007276
"909297"	366.902324	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-H"	-1.007276
"58568"	751.838471	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M-2H+NH4"	16.019271
"495941"	1119.748071	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M-2H+NH4"	16.019271
"869368"	383.928871	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-2H+NH4"	16.019271
"44803"	756.793866	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M-2H+Na"	20.974666
"479017"	1124.703466	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M-2H+Na"	20.974666
"860100"	388.884266	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-2H+Na"	20.974666
"1629633"	388.884266	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Na-2H"	20.974666
"106164"	384.890663	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M-H+Cl"	33.962126
"547912"	568.845463	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M-H+Cl"	33.962126
"940333"	200.935863	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-H+Cl"	33.962126
"279989"	770.788602	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+Cl"	34.969402
"669129"	1138.698202	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+Cl"	34.969402
"1279718"	402.879002	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Cl"	34.969402
"27381"	772.767806	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M-2H+K"	36.948606
"464022"	1140.677406	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M-2H+K"	36.948606
"841462"	404.858206	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-2H+K"	36.948606
"1564951"	404.858206	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+K-2H"	36.948606
"953563"	412.907794	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-H+HCOOH"	44.998194
"368496"	780.817401	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+HCOOH-H"	44.998201
"351654"	794.833051	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+Hac-H"	59.013851
"1500486"	426.923451	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Hac-H"	59.013851
"964750"	434.889751	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-H+NaCOOH"	66.980151
"118031"	402.879002	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+2Cl"	69.938804
"559776"	586.833802	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+2Cl"	69.938804
"1031856"	218.924202	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2Cl"	69.938804
"1251432"	446.828485	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Br"	78.918885
"1310239"	448.884472	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Cl+HCOOH"	80.974872
"1330288"	470.866429	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Cl+NaCOOH"	102.956829
"916975"	480.895186	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M-H+CF3COOH"	112.985586
"1292955"	516.871864	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Cl+CF3COOH"	148.962264
"1370750"	332.896924	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H-2H2O"	-35.012676
"1385694"	350.9069	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H-H2O"	-17.0027
"286474"	736.826476	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+H"	1.007276
"679625"	1104.736076	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+H"	1.007276
"1357800"	368.916876	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H"	1.007276
"137250"	368.916876	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+2H"	2.014552
"574623"	552.871676	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+2H"	2.014552
"1046702"	184.962076	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2H"	2.014552
"214607"	246.280342666667	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+3H"	3.021828
"654167"	368.916876	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+3H"	3.021828
"1173389"	123.643809333333	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+3H"	3.021828
"432286"	753.853023	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+NH4"	18.033823
"795468"	1121.762623	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+NH4"	18.033823
"1692893"	385.943423	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+NH4"	18.033823
"344088"	377.4301495	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+H+NH4"	19.041099
"731406"	561.3849495	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+H+NH4"	19.041099
"1488506"	193.4753495	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H+NH4"	19.041099
"403905"	758.808418	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+Na"	22.989218
"768178"	1126.718018	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+Na"	22.989218
"1615912"	390.898818	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Na"	22.989218
"328135"	379.907847	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+H+Na"	23.996494
"720556"	563.862647	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+H+Na"	23.996494
"1476364"	195.953047	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H+Na"	23.996494
"1060331"	130.971123333333	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2H+Na"	25.00377
"1269667"	400.943086	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+CH3OH+H"	33.033486
"392007"	774.782358	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+K"	38.963158
"753617"	1142.691958	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+K"	38.963158
"1551289"	406.872758	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+K"	38.963158
"312110"	387.894817	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+H+K"	39.970434
"703803"	571.849617	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+H+K"	39.970434
"1457624"	203.940017	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H+K"	39.970434
"248780"	777.853026	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+ACN+H"	42.033826
"1221487"	409.943426	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+ACN+H"	42.033826
"1203184"	205.475351	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+ACN+2H"	43.041102
"193138"	780.79036	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+2Na-H"	44.97116
"631243"	1148.69996	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+2Na-H"	44.97116
"1132926"	412.88076	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2Na-H"	44.97116
"176581"	390.898818	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+2Na"	45.978436
"616141"	574.853618	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+2Na"	45.978436
"1119279"	206.944018	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2Na"	45.978436
"1400617"	138.298437333333	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H+2Na"	46.985712
"1435652"	414.922346	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H+HCOOH"	47.012746
"223524"	395.93184	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+3H2O+2H"	56.04448
"1513410"	428.97439	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+IsoProp+H"	61.06479
"413461"	398.885788	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+Na+K"	61.952376
"774821"	582.840588	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+Na+K"	61.952376
"1668965"	214.930988	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Na+K"	61.952376
"257308"	799.834968	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+ACN+Na"	64.015768
"1231848"	431.925368	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+ACN+Na"	64.015768
"1717818"	431.948893	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+NH4+HCOOH"	64.039293
"1183171"	145.625751333333	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+3Na"	68.967654
"1656347"	436.904288	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Na+HCOOH"	68.994688
"162848"	812.73824	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+2K-H"	76.91904
"604596"	1180.64784	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+2K-H"	76.91904
"1099319"	444.82864	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2K-H"	76.91904
"156582"	406.872758	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"2M+2K"	77.926316
"590955"	590.827558	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"3M+2K"	77.926316
"1081788"	222.917958	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2K"	77.926316
"1111959"	446.843192	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2K+H"	78.933592
"1346157"	446.930807	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+DMSO+H"	79.021207
"1020034"	450.969976	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2ACN+H"	83.060376
"1538281"	451.963608	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+IsoProp+Na+H"	84.054008
"1004362"	225.988626	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+2ACN+2H"	84.067652
"1602574"	452.878228	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+K+HCOOH"	84.968628
"1429505"	482.909738	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+H+CF3COOH"	115.000138
"1157360"	246.501901	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+3ACN+2H"	125.094202
"1702544"	499.936285	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+NH4+CF3COOH"	132.026685
"1643663"	504.89168	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+Na+CF3COOH"	136.98208
"1584781"	520.86562	"C14301"	"Dicofol;Kelthane"	"C14H9Cl5O"	"367.9096"	"M+K+CF3COOH"	152.95602
"805304"	240.0746	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M"	0
"977742"	221.05621	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-H2O-H"	-19.01839
"65985"	159.042457333333	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M-3H"	-3.021828
"509919"	239.067324	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M-3H"	-3.021828
"879951"	79.0175906666667	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-3H"	-3.021828
"11768"	239.067324	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M-2H"	-2.014552
"442942"	359.104624	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M-2H"	-2.014552
"822566"	119.030024	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-2H"	-2.014552
"93256"	479.141924	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M-H"	-1.007276
"522123"	719.216524	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M-H"	-1.007276
"905392"	239.067324	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-H"	-1.007276
"53206"	496.168471	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M-2H+NH4"	16.019271
"497144"	736.243071	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M-2H+NH4"	16.019271
"869478"	256.093871	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-2H+NH4"	16.019271
"39566"	501.123866	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M-2H+Na"	20.974666
"474750"	741.198466	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M-2H+Na"	20.974666
"862396"	261.049266	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-2H+Na"	20.974666
"1629743"	261.049266	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Na-2H"	20.974666
"106273"	257.055663	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M-H+Cl"	33.962126
"546927"	377.092963	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M-H+Cl"	33.962126
"940442"	137.018363	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-H+Cl"	33.962126
"268794"	515.118602	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+Cl"	34.969402
"671425"	755.193202	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+Cl"	34.969402
"1278735"	275.044002	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Cl"	34.969402
"26397"	517.097806	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M-2H+K"	36.948606
"465955"	757.172406	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M-2H+K"	36.948606
"843765"	277.023206	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-2H+K"	36.948606
"1568343"	277.023206	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+K-2H"	36.948606
"955133"	285.072794	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-H+HCOOH"	44.998194
"370071"	525.147401	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+HCOOH-H"	44.998201
"355045"	539.163051	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+Hac-H"	59.013851
"1502782"	299.088451	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Hac-H"	59.013851
"967044"	307.054751	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-H+NaCOOH"	66.980151
"118138"	275.044002	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+2Cl"	69.938804
"560615"	395.081302	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+2Cl"	69.938804
"1030871"	155.006702	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2Cl"	69.938804
"1249356"	318.993485	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Br"	78.918885
"1313992"	321.049472	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Cl+HCOOH"	80.974872
"1325292"	343.031429	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Cl+NaCOOH"	102.956829
"924012"	353.060186	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M-H+CF3COOH"	112.985586
"1299259"	389.036864	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Cl+CF3COOH"	148.962264
"1375233"	205.061924	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H-2H2O"	-35.012676
"1393825"	223.0719	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H-H2O"	-17.0027
"297648"	481.156476	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+H"	1.007276
"685933"	721.231076	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+H"	1.007276
"1366967"	241.081876	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H"	1.007276
"138454"	241.081876	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+2H"	2.014552
"576920"	361.119176	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+2H"	2.014552
"1045719"	121.044576	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2H"	2.014552
"218727"	161.057009333333	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+3H"	3.021828
"659018"	241.081876	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+3H"	3.021828
"1177507"	81.0321426666667	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+3H"	3.021828
"439687"	498.183023	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+NH4"	18.033823
"801348"	738.257623	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+NH4"	18.033823
"1696857"	258.108423	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+NH4"	18.033823
"345606"	249.5951495	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+H+NH4"	19.041099
"737350"	369.6324495	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+H+NH4"	19.041099
"1492266"	129.5578495	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H+NH4"	19.041099
"406932"	503.138418	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+Na"	22.989218
"768291"	743.213018	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+Na"	22.989218
"1617847"	263.063818	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Na"	22.989218
"329707"	252.072847	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+H+Na"	23.996494
"722533"	372.110147	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+H+Na"	23.996494
"1475947"	132.035547	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H+Na"	23.996494
"1061535"	88.3594566666667	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2H+Na"	25.00377
"1269777"	273.108086	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+CH3OH+H"	33.033486
"389444"	519.112358	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+K"	38.963158
"751535"	759.186958	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+K"	38.963158
"1551399"	279.037758	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+K"	38.963158
"308575"	260.059817	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+H+K"	39.970434
"701726"	380.097117	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+H+K"	39.970434
"1453724"	140.022517	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H+K"	39.970434
"249983"	522.183026	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+ACN+H"	42.033826
"1221597"	282.108426	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+ACN+H"	42.033826
"1207305"	141.557851	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+ACN+2H"	43.041102
"196167"	525.12036	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+2Na-H"	44.97116
"633543"	765.19496	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+2Na-H"	44.97116
"1139235"	285.04576	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2Na-H"	44.97116
"181431"	263.063818	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+2Na"	45.978436
"618805"	383.101118	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+2Na"	45.978436
"1117688"	143.026518	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2Na"	45.978436
"1400485"	95.6867706666667	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H+2Na"	46.985712
"1434669"	287.087346	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H+HCOOH"	47.012746
"223271"	268.09684	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+3H2O+2H"	56.04448
"1509023"	301.13939	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+IsoProp+H"	61.06479
"409562"	271.050788	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+Na+K"	61.952376
"771651"	391.088088	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+Na+K"	61.952376
"1670898"	151.013488	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Na+K"	61.952376
"254502"	544.164968	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+ACN+Na"	64.015768
"1231958"	304.090368	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+ACN+Na"	64.015768
"1715375"	304.113893	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+NH4+HCOOH"	64.039293
"1182917"	103.014084666667	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+3Na"	68.967654
"1653175"	309.069288	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Na+HCOOH"	68.994688
"161861"	557.06824	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+2K-H"	76.91904
"607986"	797.14284	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+2K-H"	76.91904
"1095779"	316.99364	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2K-H"	76.91904
"156367"	279.037758	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"2M+2K"	77.926316
"594346"	399.075058	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"3M+2K"	77.926316
"1079952"	159.000458	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2K"	77.926316
"1113771"	319.008192	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2K+H"	78.933592
"1348453"	319.095807	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+DMSO+H"	79.021207
"1020632"	323.134976	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2ACN+H"	83.060376
"1538877"	324.128608	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+IsoProp+Na+H"	84.054008
"1004594"	162.071126	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+2ACN+2H"	84.067652
"1602500"	325.043228	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+K+HCOOH"	84.968628
"1426090"	355.074738	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+H+CF3COOH"	115.000138
"1157470"	182.584401	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+3ACN+2H"	125.094202
"1704841"	372.101285	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+NH4+CF3COOH"	132.026685
"1643773"	377.05668	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+Na+CF3COOH"	136.98208
"1584891"	393.03062	"C14302"	"Dinoseb;24-Dinitro-6-(1-methylpropyl)phenol"	"C10H12N2O5"	"240.0746"	"M+K+CF3COOH"	152.95602
"808694"	266.1307	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M"	0
"982227"	247.11231	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"68282"	176.413190666667	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"514403"	265.123424	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"884549"	87.7029573333333	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"4223"	265.123424	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"440500"	398.188774	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"820489"	132.058074	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"80844"	531.254124	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"522233"	797.384824	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"897482"	265.123424	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"49304"	548.280671	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"497254"	814.411371	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"869588"	282.149971	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"39676"	553.236066	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"474130"	819.366766	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"860319"	287.105366	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1625478"	287.105366	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"104195"	283.111763	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"549224"	416.177113	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"940552"	150.046413	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"280202"	567.230802	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"670442"	833.361502	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1286137"	301.100102	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"30515"	569.210006	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"471049"	835.340706	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"845696"	303.079306	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1569181"	303.079306	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"954876"	311.128894	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"371274"	577.259601	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"358070"	591.275251	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1504350"	325.144551	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"968978"	333.110851	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"121166"	301.100102	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"558902"	434.165452	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1032440"	168.034752	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1249466"	345.049585	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1313010"	347.105572	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1327224"	369.087529	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"921566"	379.116286	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1293900"	415.092964	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1370602"	231.118024	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1389557"	249.128	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"287058"	533.268676	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"676070"	799.399376	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1362392"	267.137976	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"127988"	267.137976	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"568642"	400.203326	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1037209"	134.072626	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"219810"	178.427742666667	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"658397"	267.137976	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1178356"	89.7175093333333	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"439192"	550.295223	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"800553"	816.425923	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1696521"	284.164523	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"344796"	275.6512495	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"738506"	408.7165995	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1492373"	142.5858995	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"407043"	555.250618	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"769807"	821.381318	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1618200"	289.119918	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"329454"	278.128947	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"722236"	411.194297	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1476057"	145.063597	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1064924"	97.0448233333333	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1270980"	299.164186	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"389554"	571.224558	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"753712"	837.355258	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1552604"	305.093858	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"310143"	286.115917	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"702565"	419.181267	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1454927"	153.050567	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"249365"	574.295226	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1221707"	308.164526	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1207415"	154.585901	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"196277"	577.23256	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"632560"	843.36326	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1137158"	311.10186	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"178261"	289.119918	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"618915"	422.185268	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1118526"	156.054568	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1402661"	104.372137333333	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1431618"	313.143446	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"225197"	294.15294	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1512531"	327.19549	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"411490"	297.106888	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"772121"	430.172238	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1667724"	164.041538	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"257158"	596.277168	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1228781"	330.146468	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1714393"	330.169993	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1181934"	111.699451333333	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1652555"	335.125388	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"163429"	609.18044	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"608096"	875.31114	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1095889"	343.04974	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"156235"	305.093858	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"595550"	438.159208	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1083222"	172.028508	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1114365"	345.064292	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1350751"	345.151907	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1021282"	349.191076	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1539850"	350.184708	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"1005070"	175.099176	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1600539"	351.099328	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1425105"	381.130838	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1159767"	195.612451	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1706046"	398.157385	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1643884"	403.11278	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1581721"	419.08672	"C14303"	"Equilenin;3-Hydroxyestra-135(10)68-pentaen-17-one"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"803337"	288.0495	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M"	0
"983430"	269.03111	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-H2O-H"	-19.01839
"71672"	191.025724	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M-3H"	-3.021828
"512327"	287.042224	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M-3H"	-3.021828
"885756"	95.009224	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-3H"	-3.021828
"4333"	287.042224	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M-2H"	-2.014552
"442799"	431.066974	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M-2H"	-2.014552
"818777"	143.017474	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-2H"	-2.014552
"80960"	575.091724	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M-H"	-1.007276
"527812"	863.141224	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M-H"	-1.007276
"903428"	287.042224	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-H"	-1.007276
"50511"	592.118271	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M-2H+NH4"	16.019271
"496271"	880.167771	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M-2H+NH4"	16.019271
"875171"	304.068771	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-2H+NH4"	16.019271
"45255"	597.073666	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M-2H+Na"	20.974666
"484818"	885.123166	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M-2H+Na"	20.974666
"862985"	309.024166	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-2H+Na"	20.974666
"1631059"	309.024166	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Na-2H"	20.974666
"97748"	305.030563	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M-H+Cl"	33.962126
"547147"	449.055313	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M-H+Cl"	33.962126
"937382"	161.005813	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-H+Cl"	33.962126
"279218"	611.068402	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+Cl"	34.969402
"662893"	899.117902	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+Cl"	34.969402
"1287948"	323.018902	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Cl"	34.969402
"30868"	613.047606	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M-2H+K"	36.948606
"467268"	901.097106	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M-2H+K"	36.948606
"846532"	324.998106	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-2H+K"	36.948606
"1570384"	324.998106	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+K-2H"	36.948606
"956445"	333.047694	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-H+HCOOH"	44.998194
"375388"	621.097201	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+HCOOH-H"	44.998201
"356355"	635.112851	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+Hac-H"	59.013851
"1504460"	347.063351	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Hac-H"	59.013851
"968357"	355.029651	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-H+NaCOOH"	66.980151
"115075"	323.018902	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+2Cl"	69.938804
"559014"	467.043652	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+2Cl"	69.938804
"1032186"	178.994152	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2Cl"	69.938804
"1252495"	366.968385	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Br"	78.918885
"1314213"	369.024372	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Cl+HCOOH"	80.974872
"1329522"	391.006329	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Cl+NaCOOH"	102.956829
"917303"	401.035086	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M-H+CF3COOH"	112.985586
"1294010"	437.011764	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Cl+CF3COOH"	148.962264
"1370348"	253.036824	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H-2H2O"	-35.012676
"1386751"	271.0468	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H-H2O"	-17.0027
"288264"	577.106276	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+H"	1.007276
"679589"	865.155776	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+H"	1.007276
"1353022"	289.056776	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H"	1.007276
"131381"	289.056776	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+2H"	2.014552
"570577"	433.081526	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+2H"	2.014552
"1038403"	145.032026	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2H"	2.014552
"219436"	193.040276	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+3H"	3.021828
"658143"	289.056776	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+3H"	3.021828
"1177244"	97.023776	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+3H"	3.021828
"437355"	594.132823	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+NH4"	18.033823
"793612"	882.182323	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+NH4"	18.033823
"1695413"	306.083323	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+NH4"	18.033823
"344423"	297.5700495	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+H+NH4"	19.041099
"735383"	441.5947995	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+H+NH4"	19.041099
"1491026"	153.5452995	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H+NH4"	19.041099
"406061"	599.088218	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+Na"	22.989218
"767420"	887.137718	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+Na"	22.989218
"1616246"	311.038718	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Na"	22.989218
"329441"	300.047747	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+H+Na"	23.996494
"721254"	444.072497	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+H+Na"	23.996494
"1473615"	156.022997	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H+Na"	23.996494
"1062849"	104.35109	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2H+Na"	25.00377
"1272350"	321.082986	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+CH3OH+H"	33.033486
"392753"	615.062158	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+K"	38.963158
"754210"	903.111658	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+K"	38.963158
"1555541"	327.012658	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+K"	38.963158
"307341"	308.034717	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+H+K"	39.970434
"700126"	452.059467	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+H+K"	39.970434
"1455769"	164.009967	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H+K"	39.970434
"249112"	618.132826	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+ACN+H"	42.033826
"1224373"	330.083326	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+ACN+H"	42.033826
"1208985"	165.545301	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+ACN+2H"	43.041102
"193107"	621.07016	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+2Na-H"	44.97116
"633763"	909.11966	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+2Na-H"	44.97116
"1132651"	333.02066	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2Na-H"	44.97116
"173754"	311.038718	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+2Na"	45.978436
"619026"	455.063468	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+2Na"	45.978436
"1124716"	167.013968	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2Na"	45.978436
"1401679"	111.678404	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H+2Na"	46.985712
"1438169"	335.062246	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H+HCOOH"	47.012746
"228959"	316.07174	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+3H2O+2H"	56.04448
"1511918"	349.11429	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+IsoProp+H"	61.06479
"408809"	319.025688	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+Na+K"	61.952376
"771143"	463.050438	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+Na+K"	61.952376
"1666381"	175.000938	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Na+K"	61.952376
"252534"	640.114768	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+ACN+Na"	64.015768
"1227067"	352.065268	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+ACN+Na"	64.015768
"1716691"	352.088793	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+NH4+HCOOH"	64.039293
"1186424"	119.005718	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+3Na"	68.967654
"1659597"	357.044188	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Na+HCOOH"	68.994688
"171563"	653.01804	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+2K-H"	76.91904
"612505"	941.06754	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+2K-H"	76.91904
"1099406"	364.96854	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2K-H"	76.91904
"157123"	327.012658	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"2M+2K"	77.926316
"593473"	471.037408	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"3M+2K"	77.926316
"1075798"	182.987908	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2K"	77.926316
"1110100"	366.983092	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2K+H"	78.933592
"1344299"	367.070707	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+DMSO+H"	79.021207
"1020120"	371.109876	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2ACN+H"	83.060376
"1534234"	372.103508	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+IsoProp+Na+H"	84.054008
"1002870"	186.058576	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+2ACN+2H"	84.067652
"1600654"	373.018128	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+K+HCOOH"	84.968628
"1428135"	403.049638	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+H+CF3COOH"	115.000138
"1162066"	206.571851	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+3ACN+2H"	125.094202
"1703963"	420.076185	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+NH4+CF3COOH"	132.026685
"1636699"	425.03158	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+Na+CF3COOH"	136.98208
"1581831"	441.00552	"C14304"	"Furamizole;5-1-(2-Furanyl)-2-(5-nitro-2-furanyl)ethenyl-134-oxadiazol-2-amine;NF 161"	"C12H8N4O5"	"288.0495"	"M+K+CF3COOH"	152.95602
"806730"	194.1307	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M"	0
"986826"	175.11231	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-H2O-H"	-19.01839
"73975"	128.413190666667	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M-3H"	-3.021828
"517551"	193.123424	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M-3H"	-3.021828
"892434"	63.7029573333333	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-3H"	-3.021828
"9915"	193.123424	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M-2H"	-2.014552
"450573"	290.188774	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M-2H"	-2.014552
"830930"	96.058074	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-2H"	-2.014552
"89825"	387.254124	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M-H"	-1.007276
"531209"	581.384824	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M-H"	-1.007276
"903545"	193.123424	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-H"	-1.007276
"57556"	404.280671	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M-2H+NH4"	16.019271
"498212"	598.411371	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M-2H+NH4"	16.019271
"876012"	210.149971	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-2H+NH4"	16.019271
"38806"	409.236066	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M-2H+Na"	20.974666
"482739"	603.366766	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M-2H+Na"	20.974666
"860542"	215.105366	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-2H+Na"	20.974666
"1627888"	215.105366	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Na-2H"	20.974666
"101136"	211.111763	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M-H+Cl"	33.962126
"541793"	308.177113	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M-H+Cl"	33.962126
"932029"	114.046413	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-H+Cl"	33.962126
"274960"	423.230802	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+Cl"	34.969402
"672858"	617.361502	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+Cl"	34.969402
"1286356"	229.100102	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Cl"	34.969402
"20528"	425.210006	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M-2H+K"	36.948606
"470295"	619.340706	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M-2H+K"	36.948606
"847738"	231.079306	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-2H+K"	36.948606
"1567575"	231.079306	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+K-2H"	36.948606
"956552"	239.128894	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-H+HCOOH"	44.998194
"374770"	433.259601	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+HCOOH-H"	44.998201
"353185"	447.275251	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+Hac-H"	59.013851
"1502019"	253.144551	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Hac-H"	59.013851
"967373"	261.110851	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-H+NaCOOH"	66.980151
"121384"	229.100102	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+2Cl"	69.938804
"560220"	326.165452	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+2Cl"	69.938804
"1031932"	132.034752	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2Cl"	69.938804
"1249688"	273.049585	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Br"	78.918885
"1314325"	275.105572	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Cl+HCOOH"	80.974872
"1321615"	297.087529	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Cl+NaCOOH"	102.956829
"916319"	307.116286	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M-H+CF3COOH"	112.985586
"1289745"	343.092964	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Cl+CF3COOH"	148.962264
"1370459"	159.118024	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H-2H2O"	-35.012676
"1390874"	177.128	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H-H2O"	-17.0027
"289469"	389.268676	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+H"	1.007276
"688452"	583.399376	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+H"	1.007276
"1365896"	195.137976	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H"	1.007276
"138786"	195.137976	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+2H"	2.014552
"577252"	292.203326	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+2H"	2.014552
"1051400"	98.072626	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2H"	2.014552
"217235"	130.427742666667	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+3H"	3.021828
"653516"	195.137976	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+3H"	3.021828
"1176014"	65.7175093333333	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+3H"	3.021828
"432726"	406.295223	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+NH4"	18.033823
"798095"	600.425923	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+NH4"	18.033823
"1694425"	212.164523	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+NH4"	18.033823
"340517"	203.6512495	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+H+NH4"	19.041099
"736223"	300.7165995	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+H+NH4"	19.041099
"1491132"	106.5858995	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H+NH4"	19.041099
"404343"	411.250618	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+Na"	22.989218
"767161"	605.381318	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+Na"	22.989218
"1615626"	217.119918	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Na"	22.989218
"327728"	206.128947	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+H+Na"	23.996494
"718813"	303.194297	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+H+Na"	23.996494
"1474094"	109.063597	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H+Na"	23.996494
"1068399"	73.0448233333333	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2H+Na"	25.00377
"1270476"	227.164186	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+CH3OH+H"	33.033486
"391724"	427.224558	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+K"	38.963158
"753207"	621.355258	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+K"	38.963158
"1551368"	233.093858	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+K"	38.963158
"310002"	214.115917	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+H+K"	39.970434
"704253"	311.181267	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+H+K"	39.970434
"1456978"	117.050567	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H+K"	39.970434
"245944"	430.295226	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+ACN+H"	42.033826
"1217557"	236.164526	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+ACN+H"	42.033826
"1198156"	118.585901	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+ACN+2H"	43.041102
"193215"	433.23256	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+2Na-H"	44.97116
"636058"	627.36326	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+2Na-H"	44.97116
"1134456"	239.10186	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2Na-H"	44.97116
"174103"	217.119918	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+2Na"	45.978436
"613300"	314.185268	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+2Na"	45.978436
"1116927"	120.054568	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2Na"	45.978436
"1399603"	80.3721373333333	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H+2Na"	46.985712
"1430055"	241.143446	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H+HCOOH"	47.012746
"220199"	222.15294	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+3H2O+2H"	56.04448
"1508785"	255.19549	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+IsoProp+H"	61.06479
"409766"	225.106888	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+Na+K"	61.952376
"772352"	322.172238	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+Na+K"	61.952376
"1673060"	128.041538	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Na+K"	61.952376
"254842"	452.277168	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+ACN+Na"	64.015768
"1231200"	258.146468	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+ACN+Na"	64.015768
"1720087"	258.169993	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+NH4+HCOOH"	64.039293
"1192003"	87.6994513333333	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+3Na"	68.967654
"1662989"	263.125388	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Na+HCOOH"	68.994688
"171553"	465.18044	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+2K-H"	76.91904
"606132"	659.31114	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+2K-H"	76.91904
"1096113"	271.04974	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2K-H"	76.91904
"147462"	233.093858	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"2M+2K"	77.926316
"584836"	330.159208	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"3M+2K"	77.926316
"1079188"	136.028508	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2K"	77.926316
"1108024"	273.064292	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2K+H"	78.933592
"1350243"	273.151907	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+DMSO+H"	79.021207
"1019136"	277.191076	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2ACN+H"	83.060376
"1539732"	278.184708	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+IsoProp+Na+H"	84.054008
"1004922"	139.099176	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+2ACN+2H"	84.067652
"1598574"	279.099328	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+K+HCOOH"	84.968628
"1420953"	309.130838	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+H+CF3COOH"	115.000138
"1156707"	159.612451	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+3ACN+2H"	125.094202
"1700797"	326.157385	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+NH4+CF3COOH"	132.026685
"1644103"	331.11278	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+Na+CF3COOH"	136.98208
"1581941"	347.08672	"C14305"	"4-Hexyloxyphenol"	"C12H18O2"	"194.1307"	"M+K+CF3COOH"	152.95602
"804650"	182.0328	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M"	0
"989082"	163.01441	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-H2O-H"	-19.01839
"75180"	120.347924	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M-3H"	-3.021828
"518031"	181.025524	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M-3H"	-3.021828
"895096"	59.670324	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-3H"	-3.021828
"12211"	181.025524	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M-2H"	-2.014552
"452506"	272.041924	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M-2H"	-2.014552
"831039"	90.009124	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-2H"	-2.014552
"91029"	363.058324	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M-H"	-1.007276
"531319"	545.091124	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M-H"	-1.007276
"898188"	181.025524	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-H"	-1.007276
"57303"	380.084871	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M-2H+NH4"	16.019271
"497590"	562.117671	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M-2H+NH4"	16.019271
"877215"	198.052071	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-2H+NH4"	16.019271
"45111"	385.040266	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M-2H+Na"	20.974666
"482849"	567.073066	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M-2H+Na"	20.974666
"855184"	203.007466	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-2H+Na"	20.974666
"1625810"	203.007466	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Na-2H"	20.974666
"101246"	199.013863	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M-H+Cl"	33.962126
"541902"	290.030263	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M-H+Cl"	33.962126
"938700"	107.997463	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-H+Cl"	33.962126
"280180"	399.035002	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+Cl"	34.969402
"667501"	581.067802	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+Cl"	34.969402
"1284279"	217.002202	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Cl"	34.969402
"19544"	401.014206	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M-2H+K"	36.948606
"464209"	583.047006	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M-2H+K"	36.948606
"845292"	218.981406	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-2H+K"	36.948606
"1561487"	218.981406	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+K-2H"	36.948606
"952286"	227.030994	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-H+HCOOH"	44.998194
"373785"	409.063801	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+HCOOH-H"	44.998201
"353295"	423.079451	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+Hac-H"	59.013851
"1501035"	241.046651	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Hac-H"	59.013851
"964203"	249.012951	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-H+NaCOOH"	66.980151
"119671"	217.002202	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+2Cl"	69.938804
"560327"	308.018602	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+2Cl"	69.938804
"1031313"	125.985802	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2Cl"	69.938804
"1245059"	260.951685	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Br"	78.918885
"1305196"	263.007672	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Cl+HCOOH"	80.974872
"1322815"	284.989629	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Cl+NaCOOH"	102.956829
"913146"	295.018386	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M-H+CF3COOH"	112.985586
"1290218"	330.995064	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Cl+CF3COOH"	148.962264
"1367402"	147.020124	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H-2H2O"	-35.012676
"1384786"	165.0301	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H-H2O"	-17.0027
"284110"	365.072876	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+H"	1.007276
"683093"	547.105676	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+H"	1.007276
"1359445"	183.040076	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H"	1.007276
"138895"	183.040076	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+2H"	2.014552
"574079"	274.056476	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+2H"	2.014552
"1051877"	92.023676	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2H"	2.014552
"217345"	122.362476	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+3H"	3.021828
"654720"	183.040076	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+3H"	3.021828
"1171751"	61.684876	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+3H"	3.021828
"432837"	382.099423	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+NH4"	18.033823
"794924"	564.132223	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+NH4"	18.033823
"1693442"	200.066623	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+NH4"	18.033823
"340627"	191.5533495	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+H+NH4"	19.041099
"736694"	282.5697495	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+H+NH4"	19.041099
"1491486"	100.5369495	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H+NH4"	19.041099
"407371"	387.054818	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+Na"	22.989218
"768608"	569.087618	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+Na"	22.989218
"1617682"	205.022018	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Na"	22.989218
"329425"	194.031047	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+H+Na"	23.996494
"721840"	285.047447	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+H+Na"	23.996494
"1476034"	103.014647	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H+Na"	23.996494
"1067086"	69.01219	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2H+Na"	25.00377
"1271315"	215.066286	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+CH3OH+H"	33.033486
"392326"	403.028758	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+K"	38.963158
"752712"	585.061558	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+K"	38.963158
"1554156"	220.995958	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+K"	38.963158
"312183"	202.018017	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+H+K"	39.970434
"702905"	293.034417	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+H+K"	39.970434
"1456359"	111.001617	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H+K"	39.970434
"243866"	406.099426	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+ACN+H"	42.033826
"1219855"	224.066626	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+ACN+H"	42.033826
"1198268"	112.536951	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+ACN+2H"	43.041102
"196605"	409.03676	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+2Na-H"	44.97116
"632888"	591.06956	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+2Na-H"	44.97116
"1134204"	227.00396	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2Na-H"	44.97116
"173606"	205.022018	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+2Na"	45.978436
"613410"	296.038418	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+2Na"	45.978436
"1116795"	114.005618	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2Na"	45.978436
"1399713"	76.339504	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H+2Na"	46.985712
"1430249"	229.045546	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H+HCOOH"	47.012746
"220434"	210.05504	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+3H2O+2H"	56.04448
"1509099"	243.09759	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+IsoProp+H"	61.06479
"408991"	213.008988	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+Na+K"	61.952376
"773555"	304.025388	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+Na+K"	61.952376
"1677545"	121.992588	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Na+K"	61.952376
"254224"	428.081368	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+ACN+Na"	64.015768
"1234589"	246.048568	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+ACN+Na"	64.015768
"1722383"	246.072093	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+NH4+HCOOH"	64.039293
"1191020"	83.666818	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+3Na"	68.967654
"1664193"	251.027488	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Na+HCOOH"	68.994688
"172148"	440.98464	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+2K-H"	76.91904
"605149"	623.01744	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+2K-H"	76.91904
"1092943"	258.95184	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2K-H"	76.91904
"145386"	220.995958	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"2M+2K"	77.926316
"584946"	312.012358	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"3M+2K"	77.926316
"1076019"	129.979558	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2K"	77.926316
"1111415"	260.966392	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2K+H"	78.933592
"1348892"	261.054007	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+DMSO+H"	79.021207
"1019247"	265.093176	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2ACN+H"	83.060376
"1535548"	266.086808	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+IsoProp+Na+H"	84.054008
"1003818"	133.050226	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+2ACN+2H"	84.067652
"1595402"	267.001428	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+K+HCOOH"	84.968628
"1419971"	297.032938	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+H+CF3COOH"	115.000138
"1159004"	153.563501	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+3ACN+2H"	125.094202
"1703092"	314.059485	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+NH4+CF3COOH"	132.026685
"1635463"	319.01488	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+Na+CF3COOH"	136.98208
"1582051"	334.98882	"C14306"	"Nitrofurylacrylamide;Z-Furan"	"C7H6N2O4"	"182.0328"	"M+K+CF3COOH"	152.95602
"802574"	320.1543	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M"	0
"988143"	301.13591	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-H2O-H"	-19.01839
"77480"	212.428924	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M-3H"	-3.021828
"512668"	319.147024	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M-3H"	-3.021828
"892657"	105.710824	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-3H"	-3.021828
"13418"	319.147024	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M-2H"	-2.014552
"451886"	479.224174	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M-2H"	-2.014552
"824222"	159.069874	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-2H"	-2.014552
"90047"	639.301324	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M-H"	-1.007276
"527058"	959.455624	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M-H"	-1.007276
"903767"	319.147024	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-H"	-1.007276
"54861"	656.327871	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M-2H+NH4"	16.019271
"492234"	976.482171	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M-2H+NH4"	16.019271
"867847"	336.173571	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-2H+NH4"	16.019271
"35749"	661.283266	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M-2H+Na"	20.974666
"477497"	981.437566	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M-2H+Na"	20.974666
"857484"	341.128966	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-2H+Na"	20.974666
"1625924"	341.128966	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Na-2H"	20.974666
"100267"	337.135363	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M-H+Cl"	33.962126
"547119"	497.212513	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M-H+Cl"	33.962126
"935533"	177.058213	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-H+Cl"	33.962126
"279555"	675.278002	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+Cl"	34.969402
"673078"	995.432302	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+Cl"	34.969402
"1285482"	355.123702	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Cl"	34.969402
"30226"	677.257206	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M-2H+K"	36.948606
"465412"	997.411506	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M-2H+K"	36.948606
"847594"	357.102906	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-2H+K"	36.948606
"1568891"	357.102906	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+K-2H"	36.948606
"955680"	365.152494	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-H+HCOOH"	44.998194
"369520"	685.306801	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+HCOOH-H"	44.998201
"351217"	699.322451	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+Hac-H"	59.013851
"1503330"	379.168151	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Hac-H"	59.013851
"968688"	387.134451	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-H+NaCOOH"	66.980151
"122334"	355.123702	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+2Cl"	69.938804
"552420"	515.200852	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+2Cl"	69.938804
"1026321"	195.046552	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2Cl"	69.938804
"1244806"	399.073185	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Br"	78.918885
"1305797"	401.129172	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Cl+HCOOH"	80.974872
"1320739"	423.111129	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Cl+NaCOOH"	102.956829
"912526"	433.139886	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M-H+CF3COOH"	112.985586
"1289234"	469.116564	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Cl+CF3COOH"	148.962264
"1369951"	285.141624	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H-2H2O"	-35.012676
"1384529"	303.1516	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H-H2O"	-17.0027
"290782"	641.315876	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+H"	1.007276
"685391"	961.470176	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+H"	1.007276
"1363929"	321.161576	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H"	1.007276
"136819"	321.161576	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+2H"	2.014552
"574192"	481.238726	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+2H"	2.014552
"1045180"	161.084426	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2H"	2.014552
"213081"	214.443476	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+3H"	3.021828
"653733"	321.161576	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+3H"	3.021828
"1170766"	107.725376	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+3H"	3.021828
"432945"	658.342423	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+NH4"	18.033823
"792845"	978.496723	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+NH4"	18.033823
"1690271"	338.188123	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+NH4"	18.033823
"338551"	329.6748495	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+H+NH4"	19.041099
"734253"	489.7519995	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+H+NH4"	19.041099
"1490261"	169.5976995	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H+NH4"	19.041099
"406753"	663.297818	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+Na"	22.989218
"769451"	983.452118	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+Na"	22.989218
"1617551"	343.143518	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Na"	22.989218
"328073"	332.152547	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+H+Na"	23.996494
"719400"	492.229697	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+H+Na"	23.996494
"1469944"	172.075397	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H+Na"	23.996494
"1064284"	115.05269	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2H+Na"	25.00377
"1272039"	353.187786	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+CH3OH+H"	33.033486
"388910"	679.271758	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+K"	38.963158
"753552"	999.426058	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+K"	38.963158
"1552682"	359.117458	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+K"	38.963158
"300747"	340.139517	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+H+K"	39.970434
"699365"	500.216667	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+H+K"	39.970434
"1449904"	180.062367	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H+K"	39.970434
"241786"	682.342426	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+ACN+H"	42.033826
"1213401"	362.188126	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+ACN+H"	42.033826
"1197282"	181.597701	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+ACN+2H"	43.041102
"190515"	685.27976	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+2Na-H"	44.97116
"633721"	1005.43406	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+2Na-H"	44.97116
"1132976"	365.12546	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2Na-H"	44.97116
"175050"	343.143518	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+2Na"	45.978436
"613402"	503.220668	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+2Na"	45.978436
"1116293"	183.066368	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2Na"	45.978436
"1400919"	122.380004	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H+2Na"	46.985712
"1435228"	367.167046	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H+HCOOH"	47.012746
"224924"	348.17654	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+3H2O+2H"	56.04448
"1515175"	381.21909	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+IsoProp+H"	61.06479
"418142"	351.130488	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+Na+K"	61.952376
"780231"	511.207638	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+Na+K"	61.952376
"1674378"	191.053338	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Na+K"	61.952376
"263087"	704.324368	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+ACN+Na"	64.015768
"1232517"	384.170068	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+ACN+Na"	64.015768
"1723591"	384.193593	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+NH4+HCOOH"	64.039293
"1187852"	129.707318	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+3Na"	68.967654
"1661026"	389.148988	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Na+HCOOH"	68.994688
"167887"	717.22764	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+2K-H"	76.91904
"608542"	1037.38194	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+2K-H"	76.91904
"1087586"	397.07334	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2K-H"	76.91904
"146589"	359.117458	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"2M+2K"	77.926316
"585056"	519.194608	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"3M+2K"	77.926316
"1072849"	199.040308	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2K"	77.926316
"1111525"	399.087892	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2K+H"	78.933592
"1341350"	399.175507	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+DMSO+H"	79.021207
"1015348"	403.214676	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2ACN+H"	83.060376
"1531284"	404.208308	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+IsoProp+Na+H"	84.054008
"993359"	202.110976	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+2ACN+2H"	84.067652
"1599889"	405.122928	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+K+HCOOH"	84.968628
"1414291"	435.154438	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+H+CF3COOH"	115.000138
"1149277"	222.624251	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+3ACN+2H"	125.094202
"1699924"	452.180985	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+NH4+CF3COOH"	132.026685
"1641041"	457.13638	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+Na+CF3COOH"	136.98208
"1582161"	473.11032	"C14307"	"11beta-Chloromethylestradiol;Org 4333"	"C19H25ClO2"	"320.1543"	"M+K+CF3COOH"	152.95602
"804141"	310.2508	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M"	0
"976579"	291.23241	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-H2O-H"	-19.01839
"78201"	205.826590666667	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M-3H"	-3.021828
"516058"	309.243524	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M-3H"	-3.021828
"895198"	102.409657333333	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-3H"	-3.021828
"13528"	309.243524	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M-2H"	-2.014552
"454791"	464.368924	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M-2H"	-2.014552
"828709"	154.118124	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-2H"	-2.014552
"90520"	619.494324	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M-H"	-1.007276
"528262"	929.745124	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M-H"	-1.007276
"900961"	309.243524	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-H"	-1.007276
"56065"	636.520871	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M-2H+NH4"	16.019271
"492343"	946.771671	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M-2H+NH4"	16.019271
"870143"	326.270071	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-2H+NH4"	16.019271
"33792"	641.476266	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M-2H+Na"	20.974666
"476512"	951.727066	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M-2H+Na"	20.974666
"854314"	331.225466	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-2H+Na"	20.974666
"1628220"	331.225466	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Na-2H"	20.974666
"104749"	327.231863	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M-H+Cl"	33.962126
"545405"	482.357263	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M-H+Cl"	33.962126
"937828"	172.106463	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-H+Cl"	33.962126
"276384"	655.471002	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+Cl"	34.969402
"667720"	965.721802	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+Cl"	34.969402
"1282312"	345.220202	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Cl"	34.969402
"30336"	657.450206	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M-2H+K"	36.948606
"470270"	967.701006	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M-2H+K"	36.948606
"846605"	347.199406	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-2H+K"	36.948606
"1569000"	347.199406	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+K-2H"	36.948606
"954332"	355.248994	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-H+HCOOH"	44.998194
"371456"	665.499801	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+HCOOH-H"	44.998201
"352420"	679.515451	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+Hac-H"	59.013851
"1502349"	369.264651	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Hac-H"	59.013851
"968797"	377.230951	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-H+NaCOOH"	66.980151
"118801"	345.220202	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+2Cl"	69.938804
"555080"	500.345602	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+2Cl"	69.938804
"1033356"	190.094802	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2Cl"	69.938804
"1242364"	389.169685	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Br"	78.918885
"1304811"	391.225672	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Cl+HCOOH"	80.974872
"1321217"	413.207629	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Cl+NaCOOH"	102.956829
"912270"	423.236386	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M-H+CF3COOH"	112.985586
"1288978"	459.213064	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Cl+CF3COOH"	148.962264
"1370424"	275.238124	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H-2H2O"	-35.012676
"1384645"	293.2481	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H-H2O"	-17.0027
"284332"	621.508876	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+H"	1.007276
"688419"	931.759676	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+H"	1.007276
"1360759"	311.258076	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H"	1.007276
"136929"	311.258076	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+2H"	2.014552
"573207"	466.383476	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+2H"	2.014552
"1046384"	156.132676	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2H"	2.014552
"215378"	207.841142666667	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+3H"	3.021828
"656029"	311.258076	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+3H"	3.021828
"1171969"	104.424209333333	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+3H"	3.021828
"436334"	638.535423	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+NH4"	18.033823
"792955"	948.786223	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+NH4"	18.033823
"1690379"	328.284623	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+NH4"	18.033823
"340845"	319.7713495	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+H+NH4"	19.041099
"733267"	474.8967495	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+H+NH4"	19.041099
"1490368"	164.6459495	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H+NH4"	19.041099
"403579"	643.490818	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+Na"	22.989218
"763484"	953.741618	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+Na"	22.989218
"1612675"	333.240018	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Na"	22.989218
"327086"	322.249047	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+H+Na"	23.996494
"715136"	477.374447	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+H+Na"	23.996494
"1472237"	167.123647	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H+Na"	23.996494
"1062201"	111.751523333333	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2H+Na"	25.00377
"1268254"	343.284286	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+CH3OH+H"	33.033486
"390113"	659.464758	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+K"	38.963158
"752200"	969.715558	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+K"	38.963158
"1547694"	349.213958	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+K"	38.963158
"307053"	330.236017	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+H+K"	39.970434
"697287"	485.361417	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+H+K"	39.970434
"1448919"	175.110617	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H+K"	39.970434
"238980"	662.535426	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+ACN+H"	42.033826
"1212783"	352.284626	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+ACN+H"	42.033826
"1196056"	176.645951	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+ACN+2H"	43.041102
"189895"	665.47276	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+2Na-H"	44.97116
"629821"	975.72356	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+2Na-H"	44.97116
"1132475"	355.22196	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2Na-H"	44.97116
"174187"	333.240018	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+2Na"	45.978436
"613868"	488.365418	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+2Na"	45.978436
"1116402"	178.114618	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2Na"	45.978436
"1399201"	119.078837333333	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H+2Na"	46.985712
"1431567"	357.263546	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H+HCOOH"	47.012746
"223941"	338.27304	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+3H2O+2H"	56.04448
"1517472"	371.31559	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+IsoProp+H"	61.06479
"418252"	341.226988	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+Na+K"	61.952376
"779247"	496.352388	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+Na+K"	61.952376
"1673391"	186.101588	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Na+K"	61.952376
"257725"	684.517368	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+ACN+Na"	64.015768
"1235908"	374.266568	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+ACN+Na"	64.015768
"1723701"	374.290093	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+NH4+HCOOH"	64.039293
"1191242"	126.406151333333	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+3Na"	68.967654
"1664415"	379.245488	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Na+HCOOH"	68.994688
"169090"	697.42064	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+2K-H"	76.91904
"611446"	1007.67144	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+2K-H"	76.91904
"1088788"	387.16984	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2K-H"	76.91904
"146698"	349.213958	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"2M+2K"	77.926316
"585165"	504.339358	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"3M+2K"	77.926316
"1076238"	194.088558	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2K"	77.926316
"1110541"	389.184392	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2K+H"	78.933592
"1341460"	389.272007	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+DMSO+H"	79.021207
"1012177"	393.311176	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2ACN+H"	83.060376
"1529208"	394.304808	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+IsoProp+Na+H"	84.054008
"994563"	197.159226	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+2ACN+2H"	84.067652
"1599999"	395.219428	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+K+HCOOH"	84.968628
"1415820"	425.250938	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+H+CF3COOH"	115.000138
"1150482"	217.672501	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+3ACN+2H"	125.094202
"1700034"	442.277485	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+NH4+CF3COOH"	132.026685
"1641151"	447.23288	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+Na+CF3COOH"	136.98208
"1582271"	463.20682	"C14308"	"Methoprene;(EE)-1-Methylethyl 11-methoxy-3711-trimethyl-24-dodecadienoate"	"C19H34O3"	"310.2508"	"M+K+CF3COOH"	152.95602
"802794"	148.0888	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M"	0
"976325"	129.07041	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-H2O-H"	-19.01839
"73322"	97.7185906666667	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M-3H"	-3.021828
"518276"	147.081524	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M-3H"	-3.021828
"895271"	48.3556573333333	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-3H"	-3.021828
"15571"	147.081524	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M-2H"	-2.014552
"454297"	221.125924	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M-2H"	-2.014552
"830639"	73.037124	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-2H"	-2.014552
"90994"	295.170324	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M-H"	-1.007276
"529103"	443.259124	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M-H"	-1.007276
"906174"	147.081524	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-H"	-1.007276
"58363"	312.196871	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M-2H+NH4"	16.019271
"495734"	460.285671	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M-2H+NH4"	16.019271
"871349"	164.108071	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-2H+NH4"	16.019271
"34875"	317.152266	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M-2H+Na"	20.974666
"474435"	465.241066	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M-2H+Na"	20.974666
"859891"	169.063466	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-2H+Na"	20.974666
"1631611"	169.063466	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Na-2H"	20.974666
"104859"	165.069863	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M-H+Cl"	33.962126
"545515"	239.114263	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M-H+Cl"	33.962126
"935752"	91.025463	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-H+Cl"	33.962126
"273214"	331.147002	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+Cl"	34.969402
"665643"	479.235802	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+Cl"	34.969402
"1288391"	183.058202	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Cl"	34.969402
"31360"	333.126206	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M-2H+K"	36.948606
"470940"	481.215006	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M-2H+K"	36.948606
"848343"	185.037406	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-2H+K"	36.948606
"1568745"	185.037406	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+K-2H"	36.948606
"954806"	193.086994	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-H+HCOOH"	44.998194
"372293"	341.175801	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+HCOOH-H"	44.998201
"354719"	355.191451	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+Hac-H"	59.013851
"1500271"	207.102651	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Hac-H"	59.013851
"967811"	215.068951	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-H+NaCOOH"	66.980151
"121825"	183.058202	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+2Cl"	69.938804
"555190"	257.102602	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+2Cl"	69.938804
"1033830"	109.013802	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2Cl"	69.938804
"1241783"	227.007685	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Br"	78.918885
"1308207"	229.063672	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Cl+HCOOH"	80.974872
"1320479"	251.045629	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Cl+NaCOOH"	102.956829
"912018"	261.074386	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M-H+CF3COOH"	112.985586
"1289455"	297.051064	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Cl+CF3COOH"	148.962264
"1369807"	113.076124	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H-2H2O"	-35.012676
"1384146"	131.0861	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H-H2O"	-17.0027
"284563"	297.184876	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+H"	1.007276
"689622"	445.273676	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+H"	1.007276
"1360869"	149.096076	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H"	1.007276
"140929"	149.096076	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+2H"	2.014552
"573319"	223.140476	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+2H"	2.014552
"1048681"	75.051676	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2H"	2.014552
"215488"	99.7331426666667	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+3H"	3.021828
"655046"	149.096076	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+3H"	3.021828
"1175358"	50.3702093333333	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+3H"	3.021828
"435350"	314.211423	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+NH4"	18.033823
"796347"	462.300223	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+NH4"	18.033823
"1694863"	166.122623	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+NH4"	18.033823
"342049"	157.6093495	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+H+NH4"	19.041099
"734472"	231.6537495	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+H+NH4"	19.041099
"1490479"	83.5649495	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H+NH4"	19.041099
"405879"	319.166818	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+Na"	22.989218
"767967"	467.255618	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+Na"	22.989218
"1617159"	171.078018	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Na"	22.989218
"328289"	160.087047	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+H+Na"	23.996494
"719621"	234.131447	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+H+Na"	23.996494
"1476358"	86.042647	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H+Na"	23.996494
"1066690"	57.6975233333333	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2H+Na"	25.00377
"1270555"	181.122286	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+CH3OH+H"	33.033486
"390226"	335.140758	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+K"	38.963158
"753403"	483.229558	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+K"	38.963158
"1552177"	187.051958	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+K"	38.963158
"302791"	168.074017	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+H+K"	39.970434
"694119"	242.118417	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+H+K"	39.970434
"1448302"	94.029617	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H+K"	39.970434
"237997"	338.211426	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+ACN+H"	42.033826
"1211436"	190.122626	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+ACN+H"	42.033826
"1195441"	95.564951	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+ACN+2H"	43.041102
"191467"	341.14876	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+2Na-H"	44.97116
"631028"	489.23756	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+2Na-H"	44.97116
"1131983"	193.05996	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2Na-H"	44.97116
"173208"	171.078018	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+2Na"	45.978436
"613088"	245.122418	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+2Na"	45.978436
"1116886"	97.033618	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2Na"	45.978436
"1399804"	65.0248373333333	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H+2Na"	46.985712
"1435446"	195.101546	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H+HCOOH"	47.012746
"228425"	176.11104	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+3H2O+2H"	56.04448
"1520862"	209.15359	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+IsoProp+H"	61.06479
"415082"	179.064988	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+Na+K"	61.952376
"780450"	253.109388	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+Na+K"	61.952376
"1673501"	105.020588	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Na+K"	61.952376
"258928"	360.193368	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+ACN+Na"	64.015768
"1229456"	212.104568	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+ACN+Na"	64.015768
"1726727"	212.128093	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+NH4+HCOOH"	64.039293
"1192444"	72.3521513333333	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+3Na"	68.967654
"1659056"	217.083488	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Na+HCOOH"	68.994688
"171386"	373.09664	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+2K-H"	76.91904
"609855"	521.18544	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+2K-H"	76.91904
"1095458"	225.00784	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2K-H"	76.91904
"146809"	187.051958	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"2M+2K"	77.926316
"586370"	261.096358	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"3M+2K"	77.926316
"1077442"	113.007558	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2K"	77.926316
"1108465"	227.022392	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2K+H"	78.933592
"1344849"	227.110007	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+DMSO+H"	79.021207
"1013381"	231.149176	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2ACN+H"	83.060376
"1531504"	232.142808	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+IsoProp+Na+H"	84.054008
"997953"	116.078226	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+2ACN+2H"	84.067652
"1599017"	233.057428	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+K+HCOOH"	84.968628
"1416294"	263.088938	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+H+CF3COOH"	115.000138
"1149499"	136.591501	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+3ACN+2H"	125.094202
"1700144"	280.115485	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+NH4+CF3COOH"	132.026685
"1644541"	285.07088	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+Na+CF3COOH"	136.98208
"1575820"	301.04482	"C14309"	"5678-Tetrahydro-2-naphthol"	"C10H12O"	"148.0888"	"M+K+CF3COOH"	152.95602
"802904"	239.926	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M"	0
"976435"	220.90761	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-H2O-H"	-19.01839
"72339"	158.943390666667	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M-3H"	-3.021828
"511904"	238.918724	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M-3H"	-3.021828
"890800"	78.9680573333333	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-3H"	-3.021828
"9374"	238.918724	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M-2H"	-2.014552
"452214"	358.881724	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M-2H"	-2.014552
"831477"	118.955724	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-2H"	-2.014552
"91101"	478.844724	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M-H"	-1.007276
"531756"	718.770724	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M-H"	-1.007276
"907012"	238.918724	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-H"	-1.007276
"55191"	495.871271	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M-2H+NH4"	16.019271
"491469"	735.797271	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M-2H+NH4"	16.019271
"865990"	255.945271	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-2H+NH4"	16.019271
"34982"	500.826666	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M-2H+Na"	20.974666
"473450"	740.752666	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M-2H+Na"	20.974666
"854532"	260.900666	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-2H+Na"	20.974666
"1620058"	260.900666	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Na-2H"	20.974666
"100596"	256.907063	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M-H+Cl"	33.962126
"541250"	376.870063	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M-H+Cl"	33.962126
"935860"	136.944063	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-H+Cl"	33.962126
"273324"	514.821402	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+Cl"	34.969402
"660644"	754.747402	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+Cl"	34.969402
"1287640"	274.895402	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Cl"	34.969402
"29463"	516.800606	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M-2H+K"	36.948606
"470117"	756.726606	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M-2H+K"	36.948606
"846825"	276.874606	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-2H+K"	36.948606
"1568125"	276.874606	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+K-2H"	36.948606
"954550"	284.924194	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-H+HCOOH"	44.998194
"367664"	524.850201	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+HCOOH-H"	44.998201
"349359"	538.865851	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+Hac-H"	59.013851
"1499285"	298.939851	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Hac-H"	59.013851
"962454"	306.906151	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-H+NaCOOH"	66.980151
"113184"	274.895402	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+2Cl"	69.938804
"558582"	394.858402	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+2Cl"	69.938804
"1032482"	154.932402	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2Cl"	69.938804
"1246961"	318.844885	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Br"	78.918885
"1308316"	320.900872	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Cl+HCOOH"	80.974872
"1325814"	342.882829	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Cl+NaCOOH"	102.956829
"912492"	352.911586	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M-H+CF3COOH"	112.985586
"1290658"	388.888264	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Cl+CF3COOH"	148.962264
"1371740"	204.913324	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H-2H2O"	-35.012676
"1387052"	222.9233	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H-H2O"	-17.0027
"284916"	480.859276	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+H"	1.007276
"687908"	720.785276	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+H"	1.007276
"1360979"	240.933276	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H"	1.007276
"140796"	240.933276	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+2H"	2.014552
"572335"	360.896276	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+2H"	2.014552
"1048791"	120.970276	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2H"	2.014552
"216692"	160.957942666667	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+3H"	3.021828
"655157"	240.933276	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+3H"	3.021828
"1174375"	80.9826093333333	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+3H"	3.021828
"435460"	497.885823	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+NH4"	18.033823
"793176"	737.811823	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+NH4"	18.033823
"1695703"	257.959823	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+NH4"	18.033823
"339973"	249.4465495	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+H+NH4"	19.041099
"734582"	369.4095495	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+H+NH4"	19.041099
"1486215"	129.4835495	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H+NH4"	19.041099
"402708"	502.841218	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+Na"	22.989218
"762610"	742.767218	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+Na"	22.989218
"1611800"	262.915218	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Na"	22.989218
"322931"	251.924247	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+H+Na"	23.996494
"720703"	371.887247	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+H+Na"	23.996494
"1474646"	131.961247	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H+Na"	23.996494
"1067651"	88.3099233333333	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2H+Na"	25.00377
"1269572"	272.959486	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+CH3OH+H"	33.033486
"390335"	518.815158	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+K"	38.963158
"753149"	758.741158	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+K"	38.963158
"1551192"	278.889158	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+K"	38.963158
"303997"	259.911217	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+H+K"	39.970434
"694594"	379.874217	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+H+K"	39.970434
"1447321"	139.948217	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H+K"	39.970434
"238110"	521.885826	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+ACN+H"	42.033826
"1211060"	281.959826	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+ACN+H"	42.033826
"1194617"	141.483551	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+ACN+2H"	43.041102
"190848"	524.82316	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+2Na-H"	44.97116
"630406"	764.74916	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+2Na-H"	44.97116
"1132454"	284.89716	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2Na-H"	44.97116
"173077"	262.915218	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+2Na"	45.978436
"613121"	382.878218	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+2Na"	45.978436
"1116500"	142.952218	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2Na"	45.978436
"1399793"	95.6372373333333	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H+2Na"	46.985712
"1437013"	286.938746	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H+HCOOH"	47.012746
"228531"	267.94824	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+3H2O+2H"	56.04448
"1517692"	300.99079	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+IsoProp+H"	61.06479
"421752"	270.902188	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+Na+K"	61.952376
"779467"	390.865188	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+Na+K"	61.952376
"1673611"	150.939188	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Na+K"	61.952376
"257945"	543.867768	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+ACN+Na"	64.015768
"1232846"	303.941768	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+ACN+Na"	64.015768
"1728134"	303.965293	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+NH4+HCOOH"	64.039293
"1189274"	102.964551333333	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+3Na"	68.967654
"1654791"	308.920688	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Na+HCOOH"	68.994688
"168216"	556.77104	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+2K-H"	76.91904
"606684"	796.69704	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+2K-H"	76.91904
"1094474"	316.84504	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2K-H"	76.91904
"154573"	278.889158	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"2M+2K"	77.926316
"584657"	398.852158	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"3M+2K"	77.926316
"1076459"	158.926158	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2K"	77.926316
"1106387"	318.859592	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2K+H"	78.933592
"1344959"	318.947207	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+DMSO+H"	79.021207
"1018956"	322.986376	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2ACN+H"	83.060376
"1531613"	323.980008	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+IsoProp+Na+H"	84.054008
"995876"	161.996826	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+2ACN+2H"	84.067652
"1598034"	324.894628	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+K+HCOOH"	84.968628
"1414947"	354.926138	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+H+CF3COOH"	115.000138
"1150702"	182.510101	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+3ACN+2H"	125.094202
"1701347"	371.952685	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+NH4+CF3COOH"	132.026685
"1644651"	376.90808	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+Na+CF3COOH"	136.98208
"1575930"	392.88202	"C14310"	"Picloram;4-Amino-356-trichloropyridine-2-carboxylic acid"	"C6H3Cl3N2O2"	"239.926"	"M+K+CF3COOH"	152.95602
"803014"	136.0888	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M"	0
"976545"	117.07041	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-H2O-H"	-19.01839
"73542"	89.7185906666667	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M-3H"	-3.021828
"515294"	135.081524	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M-3H"	-3.021828
"890909"	44.3556573333333	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-3H"	-3.021828
"9484"	135.081524	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M-2H"	-2.014552
"451231"	203.125924	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M-2H"	-2.014552
"830127"	67.037124	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-2H"	-2.014552
"90117"	271.170324	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M-H"	-1.007276
"531502"	407.259124	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M-H"	-1.007276
"905665"	135.081524	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-H"	-1.007276
"55301"	288.196871	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M-2H+NH4"	16.019271
"488052"	424.285671	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M-2H+NH4"	16.019271
"865127"	152.108071	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-2H+NH4"	16.019271
"33999"	293.152266	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M-2H+Na"	20.974666
"480119"	429.241066	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M-2H+Na"	20.974666
"851362"	157.063466	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-2H+Na"	20.974666
"1618829"	157.063466	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Na-2H"	20.974666
"96332"	153.069863	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M-H+Cl"	33.962126
"536985"	221.114263	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M-H+Cl"	33.962126
"935970"	85.025463	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-H+Cl"	33.962126
"273434"	307.147002	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+Cl"	34.969402
"660265"	443.235802	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+Cl"	34.969402
"1287833"	171.058202	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Cl"	34.969402
"27387"	309.126206	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M-2H+K"	36.948606
"469134"	445.215006	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M-2H+K"	36.948606
"842196"	173.037406	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-2H+K"	36.948606
"1558394"	173.037406	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+K-2H"	36.948606
"950651"	181.086994	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-H+HCOOH"	44.998194
"366681"	317.175801	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+HCOOH-H"	44.998201
"352752"	331.191451	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+Hac-H"	59.013851
"1501584"	195.102651	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Hac-H"	59.013851
"959649"	203.068951	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-H+NaCOOH"	66.980151
"112565"	171.058202	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+2Cl"	69.938804
"559783"	239.102602	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+2Cl"	69.938804
"1032228"	103.013802	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2Cl"	69.938804
"1249257"	215.007685	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Br"	78.918885
"1305146"	217.063672	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Cl+HCOOH"	80.974872
"1322644"	239.045629	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Cl+NaCOOH"	102.956829
"916979"	249.074386	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M-H+CF3COOH"	112.985586
"1291502"	285.051064	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Cl+CF3COOH"	148.962264
"1370760"	101.076124	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H-2H2O"	-35.012676
"1386066"	119.0861	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H-H2O"	-17.0027
"290132"	273.184876	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+H"	1.007276
"681459"	409.273676	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+H"	1.007276
"1361089"	137.096076	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H"	1.007276
"135072"	137.096076	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+2H"	2.014552
"571353"	205.140476	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+2H"	2.014552
"1051817"	69.051676	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2H"	2.014552
"217531"	91.7331426666667	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+3H"	3.021828
"651985"	137.096076	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+3H"	3.021828
"1174485"	46.3702093333333	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+3H"	3.021828
"434477"	290.211423	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+NH4"	18.033823
"793286"	426.300223	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+NH4"	18.033823
"1694720"	154.122623	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+NH4"	18.033823
"341177"	145.6093495	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+H+NH4"	19.041099
"735783"	213.6537495	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+H+NH4"	19.041099
"1487419"	77.5649495	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H+NH4"	19.041099
"402818"	295.166818	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+Na"	22.989218
"763813"	431.255618	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+Na"	22.989218
"1616285"	159.078018	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Na"	22.989218
"325229"	148.087047	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+H+Na"	23.996494
"715466"	216.131447	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+H+Na"	23.996494
"1473663"	80.042647	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H+Na"	23.996494
"1063627"	53.6975233333333	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2H+Na"	25.00377
"1265304"	169.122286	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+CH3OH+H"	33.033486
"388985"	311.140758	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+K"	38.963158
"752529"	447.229558	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+K"	38.963158
"1544744"	175.051958	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+K"	38.963158
"303012"	156.074017	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+H+K"	39.970434
"695434"	224.118417	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+H+K"	39.970434
"1446132"	88.029617	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H+K"	39.970434
"236763"	314.211426	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+ACN+H"	42.033826
"1211658"	178.122626	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+ACN+H"	42.033826
"1194684"	89.564951	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+ACN+2H"	43.041102
"190590"	317.14876	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+2Na-H"	44.97116
"630883"	453.23756	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+2Na-H"	44.97116
"1133294"	181.05996	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2Na-H"	44.97116
"173184"	159.078018	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+2Na"	45.978436
"613592"	227.122418	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+2Na"	45.978436
"1116367"	91.033618	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2Na"	45.978436
"1399658"	61.0248373333333	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H+2Na"	46.985712
"1433114"	183.101546	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H+HCOOH"	47.012746
"226455"	164.11104	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+3H2O+2H"	56.04448
"1517802"	197.15359	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+IsoProp+H"	61.06479
"418582"	167.064988	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+Na+K"	61.952376
"779577"	235.109388	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+Na+K"	61.952376
"1673721"	99.020588	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Na+K"	61.952376
"258055"	336.193368	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+ACN+Na"	64.015768
"1231863"	200.104568	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+ACN+Na"	64.015768
"1721843"	200.128093	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+NH4+HCOOH"	64.039293
"1192664"	68.3521513333333	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+3Na"	68.967654
"1658183"	205.083488	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Na+HCOOH"	68.994688
"169419"	349.09664	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+2K-H"	76.91904
"604607"	485.18544	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+2K-H"	76.91904
"1095678"	213.00784	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2K-H"	76.91904
"147029"	175.051958	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"2M+2K"	77.926316
"584403"	243.096358	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"3M+2K"	77.926316
"1077662"	107.007558	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2K"	77.926316
"1109777"	215.022392	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2K+H"	78.933592
"1345069"	215.110007	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+DMSO+H"	79.021207
"1017974"	219.149176	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2ACN+H"	83.060376
"1529538"	220.142808	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+IsoProp+Na+H"	84.054008
"994894"	110.078226	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+2ACN+2H"	84.067652
"1600333"	221.057428	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+K+HCOOH"	84.968628
"1414447"	251.088938	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+H+CF3COOH"	115.000138
"1150812"	130.591501	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+3ACN+2H"	125.094202
"1698540"	268.115485	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+NH4+CF3COOH"	132.026685
"1641481"	273.07088	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+Na+CF3COOH"	136.98208
"1576040"	289.04482	"C14311"	"4-Propylphenol"	"C9H12O"	"136.0888"	"M+K+CF3COOH"	152.95602
"805310"	229.1094	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M"	0
"979936"	210.09101	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-H2O-H"	-19.01839
"75474"	151.732324	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M-3H"	-3.021828
"507742"	228.102124	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M-3H"	-3.021828
"892113"	75.362524	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-3H"	-3.021828
"8500"	228.102124	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M-2H"	-2.014552
"452434"	342.656824	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M-2H"	-2.014552
"828050"	113.547424	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-2H"	-2.014552
"91320"	457.211524	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M-H"	-1.007276
"528698"	686.320924	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M-H"	-1.007276
"906504"	228.102124	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-H"	-1.007276
"53225"	474.238071	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M-2H+NH4"	16.019271
"491689"	703.347471	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M-2H+NH4"	16.019271
"868397"	245.128671	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-2H+NH4"	16.019271
"32285"	479.193466	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M-2H+Na"	20.974666
"472445"	708.302866	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M-2H+Na"	20.974666
"849036"	250.084066	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-2H+Na"	20.974666
"1621006"	250.084066	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Na-2H"	20.974666
"97535"	246.090463	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M-H+Cl"	33.962126
"537095"	360.645163	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M-H+Cl"	33.962126
"934987"	131.535763	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-H+Cl"	33.962126
"273544"	493.188202	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+Cl"	34.969402
"662688"	722.297602	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+Cl"	34.969402
"1284941"	264.078802	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Cl"	34.969402
"22029"	495.167406	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M-2H+K"	36.948606
"461589"	724.276806	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M-2H+K"	36.948606
"836473"	266.058006	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-2H+K"	36.948606
"1559597"	266.058006	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+K-2H"	36.948606
"950763"	274.107594	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-H+HCOOH"	44.998194
"366791"	503.217001	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+HCOOH-H"	44.998201
"349577"	517.232651	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+Hac-H"	59.013851
"1495858"	288.123251	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Hac-H"	59.013851
"961943"	296.089551	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-H+NaCOOH"	66.980151
"112672"	264.078802	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+2Cl"	69.938804
"558800"	378.633502	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+2Cl"	69.938804
"1033067"	149.524102	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2Cl"	69.938804
"1248270"	308.028285	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Br"	78.918885
"1315093"	310.084272	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Cl+HCOOH"	80.974872
"1321658"	332.066229	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Cl+NaCOOH"	102.956829
"913200"	342.094986	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M-H+CF3COOH"	112.985586
"1292337"	378.071664	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Cl+CF3COOH"	148.962264
"1370864"	194.096724	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H-2H2O"	-35.012676
"1388362"	212.1067	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H-H2O"	-17.0027
"285865"	459.226076	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+H"	1.007276
"681569"	688.335476	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+H"	1.007276
"1357917"	230.116676	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H"	1.007276
"138464"	230.116676	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+2H"	2.014552
"572556"	344.671376	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+2H"	2.014552
"1049009"	115.561976	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2H"	2.014552
"213630"	153.746876	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+3H"	3.021828
"655376"	230.116676	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+3H"	3.021828
"1173501"	77.377076	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+3H"	3.021828
"435681"	476.252623	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+NH4"	18.033823
"795581"	705.362023	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+NH4"	18.033823
"1694100"	247.143223	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+NH4"	18.033823
"341285"	238.6299495	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+H+NH4"	19.041099
"737353"	353.1846495	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+H+NH4"	19.041099
"1492390"	124.0752495	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H+NH4"	19.041099
"405114"	481.208018	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+Na"	22.989218
"763923"	710.317418	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+Na"	22.989218
"1616397"	252.098618	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Na"	22.989218
"324247"	241.107647	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+H+Na"	23.996494
"717764"	355.662347	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+H+Na"	23.996494
"1475958"	126.552947	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H+Na"	23.996494
"1064829"	84.70439	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2H+Na"	25.00377
"1269789"	262.142886	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+CH3OH+H"	33.033486
"390554"	497.181958	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+K"	38.963158
"753858"	726.291358	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+K"	38.963158
"1548135"	268.072558	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+K"	38.963158
"304215"	249.094617	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+H+K"	39.970434
"697732"	363.649317	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+H+K"	39.970434
"1446933"	134.539917	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H+K"	39.970434
"240155"	500.252626	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+ACN+H"	42.033826
"1211770"	271.143226	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+ACN+H"	42.033826
"1195772"	136.075251	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+ACN+2H"	43.041102
"189246"	503.18996	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+2Na-H"	44.97116
"630267"	732.29936	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+2Na-H"	44.97116
"1132311"	274.08056	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2Na-H"	44.97116
"174509"	252.098618	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+2Na"	45.978436
"613583"	366.653318	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+2Na"	45.978436
"1116358"	137.543918	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2Na"	45.978436
"1401106"	92.031704	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H+2Na"	46.985712
"1433588"	276.122146	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H+HCOOH"	47.012746
"223649"	257.13164	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+3H2O+2H"	56.04448
"1510618"	290.17419	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+IsoProp+H"	61.06479
"411762"	260.085588	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+Na+K"	61.952376
"779687"	374.640288	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+Na+K"	61.952376
"1677111"	145.530888	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Na+K"	61.952376
"257070"	522.234568	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+ACN+Na"	64.015768
"1237439"	293.125168	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+ACN+Na"	64.015768
"1725599"	293.148693	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+NH4+HCOOH"	64.039293
"1191681"	99.359018	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+3Na"	68.967654
"1663763"	298.104088	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Na+HCOOH"	68.994688
"170627"	535.13784	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+2K-H"	76.91904
"607270"	764.24724	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+2K-H"	76.91904
"1096881"	306.02844	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2K-H"	76.91904
"147139"	268.072558	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"2M+2K"	77.926316
"591074"	382.627258	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"3M+2K"	77.926316
"1079959"	153.517858	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2K"	77.926316
"1109888"	308.042992	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2K+H"	78.933592
"1348097"	308.130607	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+DMSO+H"	79.021207
"1016993"	312.169776	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2ACN+H"	83.060376
"1536942"	313.163408	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+IsoProp+Na+H"	84.054008
"990873"	156.588526	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+2ACN+2H"	84.067652
"1587439"	314.078028	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+K+HCOOH"	84.968628
"1414390"	344.109538	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+H+CF3COOH"	115.000138
"1147195"	177.101801	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+3ACN+2H"	125.094202
"1699379"	361.136085	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+NH4+CF3COOH"	132.026685
"1638311"	366.09148	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+Na+CF3COOH"	136.98208
"1576150"	382.06542	"C14312"	"Propazine;2-Chloro-46-bis(isopropylamino)-135-triazine"	"C9H16ClN5"	"229.1094"	"M+K+CF3COOH"	152.95602
"803234"	270.0528	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M"	0
"980046"	251.03441	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"75584"	179.027924	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"505666"	269.045524	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"892222"	89.010324	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"15169"	269.045524	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"453638"	404.071924	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"829253"	134.019124	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"90337"	539.098324	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"530994"	809.151124	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"906248"	269.045524	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"58801"	556.124871	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"493986"	826.177671	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"864980"	286.072071	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"34219"	561.080266	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"472150"	831.133066	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"849506"	291.027466	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1619290"	291.027466	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"97645"	287.033863	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"536112"	422.060263	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"936190"	152.007463	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"271466"	575.075002	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"668994"	845.127802	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1283956"	305.022202	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"23232"	577.054206	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"463887"	847.107006	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"839500"	307.001406	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1565175"	307.001406	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"947591"	315.050994	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"369088"	585.103801	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"352973"	599.119451	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1499617"	329.066651	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"960227"	337.032951	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"113510"	305.022202	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"553437"	440.048602	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1028800"	169.995802	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1249474"	348.971685	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1311926"	351.027672	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1326141"	373.009629	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"917202"	383.038386	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1291354"	419.015064	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1368786"	235.040124	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1390658"	253.0501	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"291443"	541.112876	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"682772"	811.165676	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1361308"	271.060076	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"140758"	271.060076	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"573760"	406.086476	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1049119"	136.033676	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"217021"	181.042476	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"657311"	271.060076	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1174705"	91.024876	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"435791"	558.139423	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"799704"	828.192223	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1696846"	288.086623	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"342491"	279.5733495	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"738477"	414.5997495	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1488369"	144.5469495	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"404132"	563.094818	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"765127"	833.147618	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1616507"	293.042018	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"321076"	282.051047	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"721642"	417.077447	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1476598"	147.024647	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1064939"	98.35219	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1269898"	303.086286	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"390664"	579.068758	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"752386"	849.121558	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1548243"	309.015958	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"306513"	290.038017	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"691766"	425.064417	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1446316"	155.011617	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"236983"	582.139426	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1212972"	312.086626	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1196248"	156.546951	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"190212"	585.07676	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"629039"	855.12956	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1134975"	315.02396	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"174377"	293.042018	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"612966"	428.068418	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1116718"	158.015618	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1399758"	105.679504	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1435887"	317.065546	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"224488"	298.07504	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1515832"	331.11759	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"411508"	301.028988	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"785608"	436.055388	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1676128"	166.002588	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"258273"	604.121368	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1239979"	334.068568	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1725708"	334.092093	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1191427"	113.006818	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1663509"	339.047488	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"169278"	617.02464	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"609566"	887.07744	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1096992"	346.97184	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"154541"	309.015958	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"593371"	444.042358	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1074603"	173.989558	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1109999"	348.986392	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1345289"	349.074007	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1017100"	353.113176	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1539476"	354.106808	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"992927"	177.060226	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1589008"	355.021428	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1418558"	385.052938	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1149940"	197.573501	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1700582"	402.079485	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1639514"	407.03488	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1576260"	423.00882	"C14313"	"347-Trihydroxyisoflavone"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"803344"	270.0528	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M"	0
"980156"	251.03441	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"63208"	179.027924	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"503590"	269.045524	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"890145"	89.010324	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"13093"	269.045524	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"452655"	404.071924	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"827178"	134.019124	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"87167"	539.098324	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"531104"	809.151124	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"906722"	269.045524	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"57818"	556.124871	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"496283"	826.177671	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"865579"	286.072071	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"33478"	561.080266	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"471434"	831.133066	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"848924"	291.027466	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1619037"	291.027466	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"95565"	287.033863	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"538409"	422.060263	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"936300"	152.007463	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"270847"	575.075002	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"668376"	845.127802	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1284066"	305.022202	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"24435"	577.054206	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"463997"	847.107006	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"839609"	307.001406	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1563097"	307.001406	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"950981"	315.050994	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"370291"	585.103801	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"353083"	599.119451	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1498634"	329.066651	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"959729"	337.032951	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"111067"	305.022202	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"551846"	440.048602	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1023443"	169.995802	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1244114"	348.971685	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1313127"	351.027672	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1325158"	373.009629	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"915124"	383.038386	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1289642"	419.015064	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1367439"	235.040124	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1388582"	253.0501	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"293740"	541.112876	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"682882"	811.165676	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1361418"	271.060076	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"140140"	271.060076	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"577150"	406.086476	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1051052"	136.033676	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"214944"	181.042476	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"657421"	271.060076	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1174815"	91.024876	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"435901"	558.139423	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"798722"	828.192223	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1696389"	288.086623	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"343331"	279.5733495	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"738228"	414.5997495	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1486656"	144.5469495	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"404243"	563.094818	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"761958"	833.147618	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1613337"	293.042018	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"321186"	282.051047	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"719078"	417.077447	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1476545"	147.024647	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1061769"	98.35219	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1267821"	303.086286	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"390408"	579.068758	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"751767"	849.121558	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1546166"	309.015958	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"305529"	290.038017	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"692119"	425.064417	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1447033"	155.011617	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"238186"	582.139426	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1211988"	312.086626	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1194532"	156.546951	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"188897"	585.07676	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"628743"	855.12956	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1133626"	315.02396	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"173271"	293.042018	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"613192"	428.068418	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1115800"	158.015618	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1399747"	105.679504	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1434901"	317.065546	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"224962"	298.07504	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1508616"	331.11759	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"412346"	301.028988	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"785341"	436.055388	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1676238"	166.002588	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"256196"	604.121368	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1238752"	334.068568	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1724358"	334.092093	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1186433"	113.006818	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1663982"	339.047488	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"171572"	617.02464	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"611495"	887.07744	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1097102"	346.97184	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"150639"	309.015958	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"594574"	444.042358	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1074713"	173.989558	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1110109"	348.986392	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1348679"	349.074007	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1017210"	353.113176	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1538979"	354.106808	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"993037"	177.060226	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1591914"	355.021428	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1417575"	385.052938	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1148227"	197.573501	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1701786"	402.079485	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1638531"	407.03488	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1576370"	423.00882	"C14314"	"467-Trihydroxyisoflavone;6-Hydroxydaidzein"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"804547"	178.0783	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M"	0
"980266"	159.05991	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-H2O-H"	-19.01839
"63523"	117.711590666667	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M-3H"	-3.021828
"504793"	177.071024	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M-3H"	-3.021828
"893536"	58.3521573333333	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-3H"	-3.021828
"13932"	177.071024	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M-2H"	-2.014552
"453860"	266.110174	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M-2H"	-2.014552
"831176"	88.031874	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-2H"	-2.014552
"87278"	355.149324	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M-H"	-1.007276
"533039"	533.227624	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M-H"	-1.007276
"904647"	177.071024	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-H"	-1.007276
"56834"	372.175871	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M-2H+NH4"	16.019271
"489834"	550.254171	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M-2H+NH4"	16.019271
"865568"	194.097571	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-2H+NH4"	16.019271
"32007"	377.131266	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M-2H+Na"	20.974666
"474001"	555.209566	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M-2H+Na"	20.974666
"848504"	199.052966	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-2H+Na"	20.974666
"1618462"	199.052966	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Na-2H"	20.974666
"94581"	195.059363	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M-H+Cl"	33.962126
"534912"	284.098513	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M-H+Cl"	33.962126
"928026"	106.020213	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-H+Cl"	33.962126
"268526"	391.126002	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+Cl"	34.969402
"668486"	569.204302	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+Cl"	34.969402
"1281990"	213.047702	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Cl"	34.969402
"24546"	393.105206	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M-2H+K"	36.948606
"461553"	571.183506	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M-2H+K"	36.948606
"839720"	215.026906	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-2H+K"	36.948606
"1563208"	215.026906	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+K-2H"	36.948606
"947811"	223.076494	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-H+HCOOH"	44.998194
"370403"	401.154801	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+HCOOH-H"	44.998201
"356470"	415.170451	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+Hac-H"	59.013851
"1500929"	237.092151	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Hac-H"	59.013851
"959839"	245.058451	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-H+NaCOOH"	66.980151
"111543"	213.047702	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+2Cl"	69.938804
"551836"	302.086852	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+2Cl"	69.938804
"1022458"	124.008552	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2Cl"	69.938804
"1246410"	256.997185	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Br"	78.918885
"1313237"	259.053172	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Cl+HCOOH"	80.974872
"1331465"	281.035129	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Cl+NaCOOH"	102.956829
"919605"	291.063886	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M-H+CF3COOH"	112.985586
"1295221"	327.040564	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Cl+CF3COOH"	148.962264
"1375569"	143.065624	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H-2H2O"	-35.012676
"1388692"	161.0756	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H-H2O"	-17.0027
"293850"	357.163876	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+H"	1.007276
"684086"	535.242176	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+H"	1.007276
"1365904"	179.085576	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H"	1.007276
"140497"	179.085576	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+2H"	2.014552
"578354"	268.124726	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+2H"	2.014552
"1051284"	90.046426	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2H"	2.014552
"215054"	119.726142666667	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+3H"	3.021828
"657774"	179.085576	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+3H"	3.021828
"1176749"	60.3667093333333	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+3H"	3.021828
"439660"	374.190423	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+NH4"	18.033823
"798101"	552.268723	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+NH4"	18.033823
"1694797"	196.112123	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+NH4"	18.033823
"343805"	187.5988495	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+H+NH4"	19.041099
"737933"	276.6379995	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+H+NH4"	19.041099
"1487859"	98.5596995	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H+NH4"	19.041099
"402166"	379.145818	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+Na"	22.989218
"766443"	557.224118	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+Na"	22.989218
"1615634"	201.067518	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Na"	22.989218
"326401"	190.076547	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+H+Na"	23.996494
"719188"	279.115697	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+H+Na"	23.996494
"1475197"	101.037397	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H+Na"	23.996494
"1066254"	67.6940233333333	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2H+Na"	25.00377
"1269025"	211.111786	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+CH3OH+H"	33.033486
"389788"	395.119758	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+K"	38.963158
"752971"	573.198058	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+K"	38.963158
"1545183"	217.041458	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+K"	38.963158
"299079"	198.063517	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+H+K"	39.970434
"691661"	287.102667	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+H+K"	39.970434
"1445669"	109.024367	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H+K"	39.970434
"237203"	398.190426	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+ACN+H"	42.033826
"1210396"	220.112126	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+ACN+H"	42.033826
"1197074"	110.559701	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+ACN+2H"	43.041102
"188598"	401.12776	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+2Na-H"	44.97116
"628645"	579.20606	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+2Na-H"	44.97116
"1133130"	223.04946	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2Na-H"	44.97116
"172852"	201.067518	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+2Na"	45.978436
"612951"	290.106668	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+2Na"	45.978436
"1115691"	112.028368	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2Na"	45.978436
"1400463"	75.0213373333333	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H+2Na"	46.985712
"1431366"	225.091046	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H+HCOOH"	47.012746
"223979"	206.10054	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+3H2O+2H"	56.04448
"1508546"	239.14309	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+IsoProp+H"	61.06479
"412456"	209.054488	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+Na+K"	61.952376
"785368"	298.093638	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+Na+K"	61.952376
"1676348"	120.015338	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Na+K"	61.952376
"258493"	420.172368	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+ACN+Na"	64.015768
"1233759"	242.094068	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+ACN+Na"	64.015768
"1724468"	242.117593	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+NH4+HCOOH"	64.039293
"1188729"	82.3486513333333	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+3Na"	68.967654
"1661902"	247.072988	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Na+HCOOH"	68.994688
"168764"	433.07564	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+2K-H"	76.91904
"609417"	611.15394	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+2K-H"	76.91904
"1095757"	254.99734	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2K-H"	76.91904
"154030"	217.041458	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"2M+2K"	77.926316
"591404"	306.080608	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"3M+2K"	77.926316
"1074823"	128.002308	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2K"	77.926316
"1111679"	257.011892	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2K+H"	78.933592
"1349884"	257.099507	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+DMSO+H"	79.021207
"1018413"	261.138676	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2ACN+H"	83.060376
"1538360"	262.132308	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+IsoProp+Na+H"	84.054008
"994239"	131.072976	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+2ACN+2H"	84.067652
"1597490"	263.046928	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+K+HCOOH"	84.968628
"1420966"	293.078438	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+H+CF3COOH"	115.000138
"1153440"	151.586251	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+3ACN+2H"	125.094202
"1701896"	310.104985	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+NH4+CF3COOH"	132.026685
"1639734"	315.06038	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+Na+CF3COOH"	136.98208
"1576480"	331.03432	"C14315"	"Anthracene"	"C14H10"	"178.0783"	"M+K+CF3COOH"	152.95602
"803564"	309.139	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M"	0
"980376"	290.12061	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-H2O-H"	-19.01839
"66431"	205.085390666667	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M-3H"	-3.021828
"504903"	308.131724	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M-3H"	-3.021828
"892920"	102.039057333333	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-3H"	-3.021828
"14042"	308.131724	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M-2H"	-2.014552
"451784"	462.701224	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M-2H"	-2.014552
"828493"	153.562224	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-2H"	-2.014552
"87388"	617.270724	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M-H"	-1.007276
"523667"	926.409724	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M-H"	-1.007276
"908035"	308.131724	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-H"	-1.007276
"54757"	634.297271	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M-2H+NH4"	16.019271
"489944"	943.436271	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M-2H+NH4"	16.019271
"871025"	325.158271	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-2H+NH4"	16.019271
"33457"	639.252666	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M-2H+Na"	20.974666
"477391"	948.391666	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M-2H+Na"	20.974666
"850817"	330.113666	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-2H+Na"	20.974666
"1618453"	330.113666	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Na-2H"	20.974666
"96880"	326.120063	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M-H+Cl"	33.962126
"534985"	480.689563	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M-H+Cl"	33.962126
"930323"	171.550563	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-H+Cl"	33.962126
"268150"	653.247402	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+Cl"	34.969402
"667503"	962.386402	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+Cl"	34.969402
"1279914"	344.108402	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Cl"	34.969402
"25749"	655.226606	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M-2H+K"	36.948606
"466405"	964.365606	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M-2H+K"	36.948606
"839830"	346.087606	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-2H+K"	36.948606
"1564412"	346.087606	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+K-2H"	36.948606
"947920"	354.137194	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-H+HCOOH"	44.998194
"367229"	663.276201	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+HCOOH-H"	44.998201
"353300"	677.291851	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+Hac-H"	59.013851
"1499946"	368.152851	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Hac-H"	59.013851
"963114"	376.119151	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-H+NaCOOH"	66.980151
"111652"	344.108402	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+2Cl"	69.938804
"550604"	498.677902	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+2Cl"	69.938804
"1022933"	189.538902	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2Cl"	69.938804
"1243604"	388.057885	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Br"	78.918885
"1306781"	390.113872	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Cl+HCOOH"	80.974872
"1328659"	412.095829	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Cl+NaCOOH"	102.956829
"918622"	422.124586	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M-H+CF3COOH"	112.985586
"1295332"	458.101264	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Cl+CF3COOH"	148.962264
"1373493"	274.126324	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H-2H2O"	-35.012676
"1390989"	292.1363	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H-H2O"	-17.0027
"289586"	619.285276	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+H"	1.007276
"685288"	928.424276	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+H"	1.007276
"1360544"	310.146276	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H"	1.007276
"138539"	310.146276	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+2H"	2.014552
"577369"	464.715776	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+2H"	2.014552
"1052004"	155.576776	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2H"	2.014552
"216258"	207.099942666667	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+3H"	3.021828
"658979"	310.146276	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+3H"	3.021828
"1176617"	104.053609333333	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+3H"	3.021828
"439407"	636.311823	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+NH4"	18.033823
"799670"	945.450823	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+NH4"	18.033823
"1696005"	327.172823	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+NH4"	18.033823
"345137"	318.6595495	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+H+NH4"	19.041099
"738043"	473.2290495	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+H+NH4"	19.041099
"1491495"	164.0900495	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H+NH4"	19.041099
"403369"	641.267218	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+Na"	22.989218
"766918"	950.406218	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+Na"	22.989218
"1614287"	332.128218	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Na"	22.989218
"326511"	321.137247	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+H+Na"	23.996494
"719298"	475.706747	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+H+Na"	23.996494
"1475430"	166.567747	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H+Na"	23.996494
"1066122"	111.380923333333	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2H+Na"	25.00377
"1271202"	342.172486	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+CH3OH+H"	33.033486
"389899"	657.241158	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+K"	38.963158
"752355"	966.380158	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+K"	38.963158
"1545294"	348.102158	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+K"	38.963158
"300283"	329.124217	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+H+K"	39.970434
"691689"	483.693717	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+H+K"	39.970434
"1445652"	174.554717	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H+K"	39.970434
"237313"	660.311826	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+ACN+H"	42.033826
"1209976"	351.172826	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+ACN+H"	42.033826
"1199372"	176.090051	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+ACN+2H"	43.041102
"190176"	663.24916	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+2Na-H"	44.97116
"631802"	972.38816	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+2Na-H"	44.97116
"1134212"	354.11016	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2Na-H"	44.97116
"174466"	332.128218	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+2Na"	45.978436
"613294"	486.697718	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+2Na"	45.978436
"1116071"	177.558718	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2Na"	45.978436
"1401181"	118.708237333333	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H+2Na"	46.985712
"1431718"	356.151746	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H+HCOOH"	47.012746
"224453"	337.16124	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+3H2O+2H"	56.04448
"1508866"	370.20379	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+IsoProp+H"	61.06479
"411838"	340.115188	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+Na+K"	61.952376
"784747"	494.684688	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+Na+K"	61.952376
"1676458"	185.545688	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Na+K"	61.952376
"257510"	682.293768	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+ACN+Na"	64.015768
"1236784"	373.154768	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+ACN+Na"	64.015768
"1713521"	373.178293	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+NH4+HCOOH"	64.039293
"1184465"	126.035551333333	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+3Na"	68.967654
"1659825"	378.133688	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Na+HCOOH"	68.994688
"168146"	695.19704	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+2K-H"	76.91904
"609528"	1004.33604	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+2K-H"	76.91904
"1092950"	386.05804	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2K-H"	76.91904
"149766"	348.102158	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"2M+2K"	77.926316
"592606"	502.671658	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"3M+2K"	77.926316
"1076026"	193.532658	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2K"	77.926316
"1109966"	388.072592	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2K+H"	78.933592
"1345619"	388.160207	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+DMSO+H"	79.021207
"1017430"	392.199376	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2ACN+H"	83.060376
"1536285"	393.193008	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+IsoProp+Na+H"	84.054008
"995442"	196.603326	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+2ACN+2H"	84.067652
"1594319"	394.107628	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+K+HCOOH"	84.968628
"1421072"	424.139138	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+H+CF3COOH"	115.000138
"1153547"	217.116601	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+3ACN+2H"	125.094202
"1704192"	441.165685	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+NH4+CF3COOH"	132.026685
"1639844"	446.12108	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+Na+CF3COOH"	136.98208
"1576590"	462.09502	"C14316"	"SB 218655"	"C17H16FN5"	"309.139"	"M+K+CF3COOH"	152.95602
"803674"	228.0939	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M"	0
"980486"	209.07551	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-H2O-H"	-19.01839
"72009"	151.055324	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M-3H"	-3.021828
"503916"	227.086624	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M-3H"	-3.021828
"895606"	75.024024	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-3H"	-3.021828
"12695"	227.086624	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M-2H"	-2.014552
"454934"	341.133574	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M-2H"	-2.014552
"830788"	113.039674	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-2H"	-2.014552
"84218"	455.180524	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M-H"	-1.007276
"520496"	683.274424	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M-H"	-1.007276
"905962"	227.086624	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-H"	-1.007276
"55962"	472.207071	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M-2H+NH4"	16.019271
"495521"	700.300971	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M-2H+NH4"	16.019271
"868949"	244.113171	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-2H+NH4"	16.019271
"43408"	477.162466	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M-2H+Na"	20.974666
"483700"	705.256366	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M-2H+Na"	20.974666
"852024"	249.068566	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-2H+Na"	20.974666
"1622650"	249.068566	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Na-2H"	20.974666
"96991"	245.074963	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M-H+Cl"	33.962126
"534849"	359.121913	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M-H+Cl"	33.962126
"927881"	131.028013	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-H+Cl"	33.962126
"267526"	491.157202	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+Cl"	34.969402
"670893"	719.251102	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+Cl"	34.969402
"1285489"	263.063302	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Cl"	34.969402
"24763"	493.136406	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M-2H+K"	36.948606
"468701"	721.230306	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M-2H+K"	36.948606
"843220"	265.042506	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-2H+K"	36.948606
"1569628"	265.042506	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+K-2H"	36.948606
"952407"	273.092094	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-H+HCOOH"	44.998194
"366247"	501.186001	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+HCOOH-H"	44.998201
"352317"	515.201651	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+Hac-H"	59.013851
"1496776"	287.107751	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Hac-H"	59.013851
"960667"	295.074051	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-H+NaCOOH"	66.980151
"112493"	263.063302	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+2Cl"	69.938804
"553880"	377.110252	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+2Cl"	69.938804
"1023038"	149.016352	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2Cl"	69.938804
"1245539"	307.012785	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Br"	78.918885
"1310175"	309.068772	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Cl+HCOOH"	80.974872
"1330955"	331.050729	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Cl+NaCOOH"	102.956829
"924200"	341.079486	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M-H+CF3COOH"	112.985586
"1300909"	377.056164	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Cl+CF3COOH"	148.962264
"1377975"	193.081224	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H-2H2O"	-35.012676
"1397659"	211.0912	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H-H2O"	-17.0027
"291883"	457.195076	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+H"	1.007276
"690989"	685.288976	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+H"	1.007276
"1366733"	229.101176	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H"	1.007276
"139024"	229.101176	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+2H"	2.014552
"580402"	343.148126	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+2H"	2.014552
"1051275"	115.054226	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2H"	2.014552
"219295"	153.069876	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+3H"	3.021828
"659506"	229.101176	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+3H"	3.021828
"1176240"	77.038576	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+3H"	3.021828
"439680"	474.221623	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+NH4"	18.033823
"800999"	702.315523	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+NH4"	18.033823
"1693560"	246.127723	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+NH4"	18.033823
"344877"	237.6144495	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+H+NH4"	19.041099
"737541"	351.6613995	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+H+NH4"	19.041099
"1491731"	123.5674995	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H+NH4"	19.041099
"402388"	479.177018	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+Na"	22.989218
"765571"	707.270918	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+Na"	22.989218
"1613669"	251.083118	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Na"	22.989218
"323706"	240.092147	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+H+Na"	23.996494
"715035"	354.139097	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+H+Na"	23.996494
"1476633"	126.045197	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H+Na"	23.996494
"1067696"	84.36589	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2H+Na"	25.00377
"1272289"	261.127386	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+CH3OH+H"	33.033486
"392195"	495.150958	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+K"	38.963158
"753317"	723.244858	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+K"	38.963158
"1547593"	267.057058	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+K"	38.963158
"304769"	248.079117	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+H+K"	39.970434
"696098"	362.126067	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+H+K"	39.970434
"1447001"	134.032167	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H+K"	39.970434
"235858"	498.221626	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+ACN+H"	42.033826
"1213414"	270.127726	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+ACN+H"	42.033826
"1203856"	135.567501	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+ACN+2H"	43.041102
"189556"	501.15896	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+2Na-H"	44.97116
"630818"	729.25286	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+2Na-H"	44.97116
"1134321"	273.06506	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2Na-H"	44.97116
"173725"	251.083118	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+2Na"	45.978436
"613526"	365.130068	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+2Na"	45.978436
"1116550"	137.036168	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2Na"	45.978436
"1399102"	91.693204	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H+2Na"	46.985712
"1430370"	275.106646	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H+HCOOH"	47.012746
"224199"	256.11614	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+3H2O+2H"	56.04448
"1508966"	289.15869	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+IsoProp+H"	61.06479
"409019"	259.070088	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+Na+K"	61.952376
"780238"	373.117038	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+Na+K"	61.952376
"1671101"	145.023138	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Na+K"	61.952376
"254340"	520.203568	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+ACN+Na"	64.015768
"1236895"	292.109668	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+ACN+Na"	64.015768
"1721411"	292.133193	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+NH4+HCOOH"	64.039293
"1191136"	99.020518	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+3Na"	68.967654
"1658842"	297.088588	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Na+HCOOH"	68.994688
"166799"	533.10684	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+2K-H"	76.91904
"608180"	761.20074	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+2K-H"	76.91904
"1090144"	305.01294	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2K-H"	76.91904
"147689"	267.057058	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"2M+2K"	77.926316
"590530"	381.104008	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"3M+2K"	77.926316
"1079416"	153.010108	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2K"	77.926316
"1112263"	307.027492	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2K+H"	78.933592
"1348283"	307.115107	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+DMSO+H"	79.021207
"1017176"	311.154276	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2ACN+H"	83.060376
"1535667"	312.147908	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+IsoProp+Na+H"	84.054008
"1002113"	156.080776	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+2ACN+2H"	84.067652
"1599897"	313.062528	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+K+HCOOH"	84.968628
"1423370"	343.094038	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+H+CF3COOH"	115.000138
"1156938"	176.594051	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+3ACN+2H"	125.094202
"1704302"	360.120585	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+NH4+CF3COOH"	132.026685
"1636674"	365.07598	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+Na+CF3COOH"	136.98208
"1576700"	381.04992	"C14317"	"Benzaanthracene;12-Benzanthracene"	"C18H12"	"228.0939"	"M+K+CF3COOH"	152.95602
"813625"	276.0939	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M"	0
"982784"	257.07551	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-H2O-H"	-19.01839
"75400"	183.055324	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M-3H"	-3.021828
"511680"	275.086624	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M-3H"	-3.021828
"891683"	91.024024	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-3H"	-3.021828
"12441"	275.086624	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M-2H"	-2.014552
"449816"	413.133574	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M-2H"	-2.014552
"826525"	137.039674	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-2H"	-2.014552
"82141"	551.180524	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M-H"	-1.007276
"520606"	827.274424	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M-H"	-1.007276
"906072"	275.086624	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-H"	-1.007276
"53884"	568.207071	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M-2H+NH4"	16.019271
"494539"	844.300971	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M-2H+NH4"	16.019271
"865533"	292.113171	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-2H+NH4"	16.019271
"38052"	573.162466	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M-2H+Na"	20.974666
"472750"	849.256366	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M-2H+Na"	20.974666
"849582"	297.068566	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-2H+Na"	20.974666
"1619601"	297.068566	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Na-2H"	20.974666
"95886"	293.074963	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M-H+Cl"	33.962126
"535202"	431.121913	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M-H+Cl"	33.962126
"930180"	155.028013	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-H+Cl"	33.962126
"268120"	587.157202	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+Cl"	34.969402
"671003"	863.251102	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+Cl"	34.969402
"1285599"	311.063302	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Cl"	34.969402
"24873"	589.136406	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M-2H+K"	36.948606
"466624"	865.230306	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M-2H+K"	36.948606
"845518"	313.042506	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-2H+K"	36.948606
"1564633"	313.042506	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+K-2H"	36.948606
"947048"	321.092094	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-H+HCOOH"	44.998194
"364169"	597.186001	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+HCOOH-H"	44.998201
"350240"	611.201651	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+Hac-H"	59.013851
"1495791"	335.107751	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Hac-H"	59.013851
"962235"	343.074051	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-H+NaCOOH"	66.980151
"111509"	311.063302	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+2Cl"	69.938804
"558365"	449.110252	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+2Cl"	69.938804
"1023882"	173.016352	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2Cl"	69.938804
"1243462"	355.012785	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Br"	78.918885
"1311378"	357.068772	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Cl+HCOOH"	80.974872
"1332158"	379.050729	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Cl+NaCOOH"	102.956829
"925402"	389.079486	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M-H+CF3COOH"	112.985586
"1295552"	425.056164	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Cl+CF3COOH"	148.962264
"1371525"	241.081224	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H-2H2O"	-35.012676
"1391210"	259.0912	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H-H2O"	-17.0027
"291993"	553.195076	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+H"	1.007276
"690896"	829.288976	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+H"	1.007276
"1367007"	277.101176	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H"	1.007276
"139854"	277.101176	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+2H"	2.014552
"580391"	415.148126	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+2H"	2.014552
"1051260"	139.054226	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2H"	2.014552
"218919"	185.069876	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+3H"	3.021828
"659922"	277.101176	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+3H"	3.021828
"1175256"	93.038576	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+3H"	3.021828
"439502"	570.221623	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+NH4"	18.033823
"800380"	846.315523	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+NH4"	18.033823
"1695490"	294.127723	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+NH4"	18.033823
"344136"	285.6144495	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+H+NH4"	19.041099
"738136"	423.6613995	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+H+NH4"	19.041099
"1491841"	147.5674995	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H+NH4"	19.041099
"403592"	575.177018	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+Na"	22.989218
"765682"	851.270918	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+Na"	22.989218
"1618033"	299.083118	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Na"	22.989218
"328805"	288.092147	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+H+Na"	23.996494
"717332"	426.139097	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+H+Na"	23.996494
"1476867"	150.045197	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H+Na"	23.996494
"1067321"	100.36589	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2H+Na"	25.00377
"1272362"	309.127386	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+CH3OH+H"	33.033486
"391212"	591.150958	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+K"	38.963158
"754143"	867.244858	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+K"	38.963158
"1552077"	315.057058	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+K"	38.963158
"304879"	296.079117	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+H+K"	39.970434
"693291"	434.126067	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+H+K"	39.970434
"1446746"	158.032167	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H+K"	39.970434
"239722"	594.221626	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+ACN+H"	42.033826
"1220084"	318.127726	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+ACN+H"	42.033826
"1203966"	159.567501	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+ACN+2H"	43.041102
"190640"	597.15896	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+2Na-H"	44.97116
"633114"	873.25286	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+2Na-H"	44.97116
"1135525"	321.06506	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2Na-H"	44.97116
"174808"	299.083118	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+2Na"	45.978436
"614366"	437.130068	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+2Na"	45.978436
"1116779"	161.036168	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2Na"	45.978436
"1398965"	107.693204	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H+2Na"	46.985712
"1431451"	323.106646	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H+HCOOH"	47.012746
"222850"	304.11614	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+3H2O+2H"	56.04448
"1509084"	337.15869	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+IsoProp+H"	61.06479
"409373"	307.070088	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+Na+K"	61.952376
"781441"	445.117038	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+Na+K"	61.952376
"1667929"	169.023138	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Na+K"	61.952376
"255542"	616.203568	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+ACN+Na"	64.015768
"1233722"	340.109668	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+ACN+Na"	64.015768
"1721882"	340.133193	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+NH4+HCOOH"	64.039293
"1189059"	115.020518	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+3Na"	68.967654
"1661869"	345.088588	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Na+HCOOH"	68.994688
"170915"	629.10684	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+2K-H"	76.91904
"602091"	905.20074	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+2K-H"	76.91904
"1092076"	353.01294	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2K-H"	76.91904
"147801"	315.057058	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"2M+2K"	77.926316
"591731"	453.104008	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"3M+2K"	77.926316
"1080985"	177.010108	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2K"	77.926316
"1111641"	355.027492	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2K+H"	78.933592
"1347664"	355.115107	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+DMSO+H"	79.021207
"1016556"	359.154276	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2ACN+H"	83.060376
"1536869"	360.147908	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+IsoProp+Na+H"	84.054008
"996756"	180.080776	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+2ACN+2H"	84.067652
"1600007"	361.062528	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+K+HCOOH"	84.968628
"1421292"	391.094038	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+H+CF3COOH"	115.000138
"1150487"	200.594051	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+3ACN+2H"	125.094202
"1701132"	408.120585	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+NH4+CF3COOH"	132.026685
"1636784"	413.07598	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+Na+CF3COOH"	136.98208
"1583371"	429.04992	"C14318"	"Benzoghiperylene;112-Benzoperylene"	"C22H12"	"276.0939"	"M+K+CF3COOH"	152.95602
"812642"	462.0781	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M"	0
"988362"	443.05971	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-H2O-H"	-19.01839
"78447"	307.044790666667	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M-3H"	-3.021828
"513978"	461.070824	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M-3H"	-3.021828
"890699"	153.018757333333	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-3H"	-3.021828
"12550"	461.070824	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M-2H"	-2.014552
"452112"	692.109874	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M-2H"	-2.014552
"828822"	230.031774	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-2H"	-2.014552
"85530"	923.148924	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M-H"	-1.007276
"520837"	1385.227024	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M-H"	-1.007276
"907275"	461.070824	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-H"	-1.007276
"52902"	940.175471	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M-2H+NH4"	16.019271
"495377"	1402.253571	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M-2H+NH4"	16.019271
"865155"	478.097371	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-2H+NH4"	16.019271
"37069"	945.130866	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M-2H+Na"	20.974666
"472982"	1407.208966	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M-2H+Na"	20.974666
"852244"	483.052766	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-2H+Na"	20.974666
"1619832"	483.052766	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Na-2H"	20.974666
"96847"	479.059163	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M-H+Cl"	33.962126
"535676"	710.098213	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M-H+Cl"	33.962126
"930654"	248.020113	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-H+Cl"	33.962126
"267870"	959.125602	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+Cl"	34.969402
"667833"	1421.203702	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+Cl"	34.969402
"1282430"	497.047502	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Cl"	34.969402
"26076"	961.104806	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M-2H+K"	36.948606
"469287"	1423.182906	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M-2H+K"	36.948606
"840160"	499.026706	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-2H+K"	36.948606
"1565835"	499.026706	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+K-2H"	36.948606
"948251"	507.076294	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-H+HCOOH"	44.998194
"365372"	969.154401	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+HCOOH-H"	44.998201
"352536"	983.170051	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+Hac-H"	59.013851
"1498087"	521.091951	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Hac-H"	59.013851
"961980"	529.058251	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-H+NaCOOH"	66.980151
"111619"	497.047502	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+2Cl"	69.938804
"559568"	728.086552	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+2Cl"	69.938804
"1025085"	266.008452	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2Cl"	69.938804
"1245758"	540.996985	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Br"	78.918885
"1311488"	543.052972	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Cl+HCOOH"	80.974872
"1333726"	565.034929	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Cl+NaCOOH"	102.956829
"925512"	575.063686	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M-H+CF3COOH"	112.985586
"1295662"	611.040364	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Cl+CF3COOH"	148.962264
"1371635"	427.065424	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H-2H2O"	-35.012676
"1394600"	445.0754	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H-H2O"	-17.0027
"295383"	925.163476	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+H"	1.007276
"689993"	1387.241576	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+H"	1.007276
"1366925"	463.085376	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H"	1.007276
"140330"	463.085376	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+2H"	2.014552
"580260"	694.124426	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+2H"	2.014552
"1051736"	232.046326	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2H"	2.014552
"219516"	309.059342666667	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+3H"	3.021828
"658705"	463.085376	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+3H"	3.021828
"1172085"	155.033309333333	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+3H"	3.021828
"438641"	942.190023	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+NH4"	18.033823
"797085"	1404.268123	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+NH4"	18.033823
"1694871"	480.111923	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+NH4"	18.033823
"343518"	471.5986495	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+H+NH4"	19.041099
"735941"	702.6376995	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+H+NH4"	19.041099
"1490857"	240.5595995	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H+NH4"	19.041099
"404432"	947.145418	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+Na"	22.989218
"766887"	1409.223518	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+Na"	22.989218
"1616811"	485.067318	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Na"	22.989218
"327939"	474.076347	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+H+Na"	23.996494
"717442"	705.115397	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+H+Na"	23.996494
"1475638"	243.037297	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H+Na"	23.996494
"1067791"	162.360623333333	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2H+Na"	25.00377
"1271296"	495.111586	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+CH3OH+H"	33.033486
"389864"	963.119358	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+K"	38.963158
"753049"	1425.197458	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+K"	38.963158
"1551093"	501.041258	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+K"	38.963158
"302802"	482.063317	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+H+K"	39.970434
"694130"	713.102367	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+H+K"	39.970434
"1447951"	251.024267	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H+K"	39.970434
"242020"	966.190026	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+ACN+H"	42.033826
"1209944"	504.111926	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+ACN+H"	42.033826
"1202983"	252.559601	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+ACN+2H"	43.041102
"192572"	969.12736	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+2Na-H"	44.97116
"630794"	1431.20546	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+2Na-H"	44.97116
"1134541"	507.04926	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2Na-H"	44.97116
"176010"	485.067318	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+2Na"	45.978436
"614234"	716.106368	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+2Na"	45.978436
"1118349"	254.028268	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2Na"	45.978436
"1400779"	169.687937333333	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H+2Na"	46.985712
"1431562"	509.090846	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H+HCOOH"	47.012746
"222232"	490.10034	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+3H2O+2H"	56.04448
"1509441"	523.14289	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+IsoProp+H"	61.06479
"409976"	493.054288	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+Na+K"	61.952376
"778270"	724.093338	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+Na+K"	61.952376
"1667430"	262.015238	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Na+K"	61.952376
"254559"	988.171968	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+ACN+Na"	64.015768
"1233832"	526.093868	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+ACN+Na"	64.015768
"1725636"	526.117393	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+NH4+HCOOH"	64.039293
"1186982"	177.015251333333	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+3Na"	68.967654
"1661250"	531.072788	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Na+HCOOH"	68.994688
"169203"	1001.07524	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+2K-H"	76.91904
"605481"	1463.15334	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+2K-H"	76.91904
"1091092"	538.99714	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2K-H"	76.91904
"150096"	501.041258	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"2M+2K"	77.926316
"591841"	732.080308	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"3M+2K"	77.926316
"1080730"	270.002208	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2K"	77.926316
"1107376"	541.011692	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2K+H"	78.933592
"1347044"	541.099307	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+DMSO+H"	79.021207
"1016666"	545.138476	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2ACN+H"	83.060376
"1536979"	546.132108	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+IsoProp+Na+H"	84.054008
"1000146"	273.072876	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+2ACN+2H"	84.067652
"1593556"	547.046728	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+K+HCOOH"	84.968628
"1420309"	577.078238	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+H+CF3COOH"	115.000138
"1153878"	293.586151	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+3ACN+2H"	125.094202
"1707803"	594.104785	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+NH4+CF3COOH"	132.026685
"1636893"	599.06018	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+Na+CF3COOH"	136.98208
"1583481"	615.03412	"C14319"	"SR 141716;Rimonabant"	"C22H21Cl3N4O"	"462.0781"	"M+K+CF3COOH"	152.95602
"804004"	252.0939	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M"	0
"981911"	233.07551	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"74528"	167.055324	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"514088"	251.086624	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"888620"	83.024024	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"12659"	251.086624	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"448943"	377.133574	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"827838"	125.039674	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"83454"	503.180524	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"520826"	755.274424	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"908113"	251.086624	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"54104"	520.207071	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"492571"	772.300971	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"864902"	268.113171	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"37180"	525.162466	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"481112"	777.256366	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"849074"	273.068566	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1618539"	273.068566	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"94441"	269.074963	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"534445"	395.121913	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"930400"	143.028013	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"267859"	539.157202	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"667943"	791.251102	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1284726"	287.063302	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"25093"	541.136406	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"470854"	793.230306	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"840270"	289.042506	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1567038"	289.042506	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"948361"	297.092094	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"366575"	549.186001	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"353739"	563.201651	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1498197"	311.107751	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"960025"	319.074051	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"111366"	287.063302	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"559678"	413.110252	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1025195"	161.016352	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1244775"	331.012785	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1311598"	333.068772	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1335459"	355.050729	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"926434"	365.079486	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1295772"	401.056164	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1372838"	217.081224	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1394710"	235.0912	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"294400"	505.195076	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"690467"	757.288976	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1365357"	253.101176	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H"	1.007276
"141380"	253.101176	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"580972"	379.148126	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1051358"	127.054226	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"219499"	169.069876	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"659179"	253.101176	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1176569"	85.038576	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"439360"	522.221623	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"795373"	774.315523	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1691702"	270.127723	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"341077"	261.6144495	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"735682"	387.6613995	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1487320"	135.5674995	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"400532"	527.177018	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"763715"	779.270918	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1614000"	275.083118	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"328777"	264.092147	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"715365"	390.139097	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1474289"	138.045197	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1068271"	92.36589	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1272415"	285.127386	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"389245"	543.150958	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"750240"	795.244858	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1551203"	291.057058	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+K"	38.963158
"302183"	272.079117	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"693144"	398.126067	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1448061"	146.032167	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"242130"	546.221626	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1210583"	294.127726	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1204186"	147.567501	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"191587"	549.15896	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"631147"	801.25286	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1133922"	297.06506	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"174662"	275.083118	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"614953"	401.130068	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1116634"	149.036168	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1399188"	99.693204	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1431911"	299.106646	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"222339"	280.11614	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1509305"	313.15869	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"410086"	283.070088	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"778379"	409.117038	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1668513"	157.023138	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"255762"	568.203568	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1235035"	316.109668	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1726110"	316.133193	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1189279"	107.020518	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1663545"	321.088588	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"171498"	581.10684	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"605591"	833.20074	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1093388"	329.01294	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"150205"	291.057058	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"591951"	417.104008	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1078651"	165.010108	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1107486"	331.027492	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1343872"	331.115107	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1014589"	335.154276	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1537088"	336.147908	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"998069"	168.080776	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1595851"	337.062528	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1421512"	367.094038	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1151800"	188.594051	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1707913"	384.120585	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1637003"	389.07598	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1583591"	405.04992	"C14320"	"Benzobfluoranthene;34-Benzfluoranthene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"804114"	252.0939	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M"	0
"982021"	233.07551	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"74638"	167.055324	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"513105"	251.086624	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"886543"	83.024024	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"9490"	251.086624	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"450146"	377.133574	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"824668"	125.039674	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"82471"	503.180524	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"520936"	755.274424	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"905307"	251.086624	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"54214"	520.207071	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"491587"	772.300971	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"865378"	268.113171	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"37290"	525.162466	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"477942"	777.256366	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"852463"	273.068566	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1618507"	273.068566	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"94552"	269.074963	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"534966"	395.121913	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"929781"	143.028013	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"269428"	539.157202	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"668053"	791.251102	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1285565"	287.063302	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"25203"	541.136406	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"468048"	793.230306	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"840380"	289.042506	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1560588"	289.042506	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"943003"	297.092094	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"362675"	549.186001	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"348382"	563.201651	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1493933"	311.107751	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"960014"	319.074051	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"110423"	287.063302	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"559788"	413.110252	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1022146"	161.016352	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1244885"	331.012785	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1311708"	333.068772	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1333217"	355.050729	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"923546"	365.079486	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1295882"	401.056164	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1371855"	217.081224	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1393727"	235.0912	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"292323"	505.195076	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"688025"	757.288976	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1358907"	253.101176	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H"	1.007276
"140791"	253.101176	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"579014"	379.148126	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1051831"	127.054226	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"219838"	169.069876	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"659845"	253.101176	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1172305"	85.038576	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"439102"	522.221623	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"796573"	774.315523	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1693998"	270.127723	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"341185"	261.6144495	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"734699"	387.6613995	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1486336"	135.5674995	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"400641"	527.177018	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"760544"	779.270918	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1609737"	275.083118	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"321960"	264.092147	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"715475"	390.139097	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1474399"	138.045197	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1066916"	92.36589	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1270782"	285.127386	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"389355"	543.150958	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"747070"	795.244858	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1545846"	291.057058	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+K"	38.963158
"300834"	272.079117	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"696536"	398.126067	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1445784"	146.032167	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"236282"	546.221626	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1211176"	294.127726	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1197369"	147.567501	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"188941"	549.15896	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"628617"	801.25286	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1131599"	297.06506	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"172887"	275.083118	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"613264"	401.130068	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1115922"	149.036168	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1398765"	99.693204	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1430564"	299.106646	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"222448"	280.11614	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1508763"	313.15869	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"408817"	283.070088	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"773014"	409.117038	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1669352"	157.023138	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"253685"	568.203568	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1232958"	316.109668	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1726221"	316.133193	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1190482"	107.020518	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1661468"	321.088588	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"168328"	581.10684	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"605701"	833.20074	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1086938"	329.01294	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"148127"	291.057058	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"588780"	417.104008	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1074385"	165.010108	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1100303"	331.027492	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1343981"	331.115107	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1016884"	335.154276	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1535010"	336.147908	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"997086"	168.080776	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1595961"	337.062528	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1420529"	367.094038	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1150817"	188.594051	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1708023"	384.120585	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1637113"	389.07598	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1583701"	405.04992	"C14321"	"Benzokfluoranthene;1112-Benzofluoranthene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"805317"	348.9263	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M"	0
"984317"	329.90791	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-H2O-H"	-19.01839
"76934"	231.610257333333	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M-3H"	-3.021828
"515401"	347.919024	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M-3H"	-3.021828
"886652"	115.301490666667	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-3H"	-3.021828
"12882"	347.919024	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M-2H"	-2.014552
"451350"	522.382174	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M-2H"	-2.014552
"826965"	173.455874	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-2H"	-2.014552
"84769"	696.845324	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M-H"	-1.007276
"524328"	1045.771624	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M-H"	-1.007276
"902137"	347.919024	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-H"	-1.007276
"52136"	713.871871	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M-2H+NH4"	16.019271
"493882"	1062.798171	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M-2H+NH4"	16.019271
"864747"	364.945571	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-2H+NH4"	16.019271
"36305"	718.827266	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M-2H+Na"	20.974666
"478052"	1067.753566	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M-2H+Na"	20.974666
"853666"	369.900966	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-2H+Na"	20.974666
"1618576"	369.900966	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Na-2H"	20.974666
"94903"	365.907363	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M-H+Cl"	33.962126
"536008"	540.370513	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M-H+Cl"	33.962126
"931711"	191.444213	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-H+Cl"	33.962126
"268444"	732.822002	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+Cl"	34.969402
"664518"	1081.748302	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+Cl"	34.969402
"1276555"	383.895702	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Cl"	34.969402
"18016"	734.801206	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M-2H+K"	36.948606
"462688"	1083.727506	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M-2H+K"	36.948606
"834658"	385.874906	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-2H+K"	36.948606
"1560698"	385.874906	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+K-2H"	36.948606
"943477"	393.924494	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-H+HCOOH"	44.998194
"363146"	742.850801	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+HCOOH-H"	44.998201
"348491"	756.866451	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+Hac-H"	59.013851
"1494040"	407.940151	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Hac-H"	59.013851
"959065"	415.906451	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-H+NaCOOH"	66.980151
"113406"	383.895702	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+2Cl"	69.938804
"557711"	558.358852	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+2Cl"	69.938804
"1024320"	209.432552	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2Cl"	69.938804
"1243172"	427.845185	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Br"	78.918885
"1311818"	429.901172	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Cl+HCOOH"	80.974872
"1331502"	451.883129	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Cl+NaCOOH"	102.956829
"925600"	461.911886	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M-H+CF3COOH"	112.985586
"1289547"	497.888564	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Cl+CF3COOH"	148.962264
"1369412"	313.913624	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H-2H2O"	-35.012676
"1391650"	331.9236	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H-H2O"	-17.0027
"289150"	698.859876	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+H"	1.007276
"679385"	1047.786176	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+H"	1.007276
"1356830"	349.933576	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H"	1.007276
"141024"	349.933576	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+2H"	2.014552
"580096"	524.396726	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+2H"	2.014552
"1051938"	175.470426	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2H"	2.014552
"219715"	233.624809333333	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+3H"	3.021828
"659440"	349.933576	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+3H"	3.021828
"1175331"	117.316042666667	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+3H"	3.021828
"437509"	715.886423	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+NH4"	18.033823
"792309"	1064.812723	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+NH4"	18.033823
"1694836"	366.960123	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+NH4"	18.033823
"338014"	358.4468495	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+H+NH4"	19.041099
"731528"	532.9099995	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+H+NH4"	19.041099
"1488632"	183.9836995	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H+NH4"	19.041099
"401844"	720.841818	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+Na"	22.989218
"761746"	1069.768118	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+Na"	22.989218
"1610938"	371.915518	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Na"	22.989218
"320977"	360.924547	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+H+Na"	23.996494
"715585"	535.387697	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+H+Na"	23.996494
"1474873"	186.461397	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H+Na"	23.996494
"1065931"	124.643356666667	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2H+Na"	25.00377
"1269797"	381.959786	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+CH3OH+H"	33.033486
"388371"	736.815758	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+K"	38.963158
"746086"	1085.742058	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+K"	38.963158
"1545956"	387.889458	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+K"	38.963158
"299361"	368.911517	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+H+K"	39.970434
"692146"	543.374667	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+H+K"	39.970434
"1446209"	194.448367	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H+K"	39.970434
"235901"	739.886426	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+ACN+H"	42.033826
"1210311"	390.960126	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+ACN+H"	42.033826
"1197843"	195.983701	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+ACN+2H"	43.041102
"188763"	742.82376	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+2Na-H"	44.97116
"628848"	1091.75006	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+2Na-H"	44.97116
"1131948"	393.89746	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2Na-H"	44.97116
"173417"	371.915518	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+2Na"	45.978436
"613580"	546.378668	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+2Na"	45.978436
"1115992"	197.452368	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2Na"	45.978436
"1398869"	131.970670666667	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H+2Na"	46.985712
"1431039"	395.939046	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H+HCOOH"	47.012746
"220323"	376.94854	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+3H2O+2H"	56.04448
"1508490"	409.99109	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+IsoProp+H"	61.06479
"409941"	379.902488	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+Na+K"	61.952376
"775312"	554.365638	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+Na+K"	61.952376
"1671648"	205.439338	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Na+K"	61.952376
"257074"	761.868368	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+ACN+Na"	64.015768
"1230880"	412.942068	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+ACN+Na"	64.015768
"1719768"	412.965593	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+NH4+HCOOH"	64.039293
"1181844"	139.297984666667	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+3Na"	68.967654
"1658298"	417.920988	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Na+HCOOH"	68.994688
"161878"	774.77164	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+2K-H"	76.91904
"605812"	1123.69794	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+2K-H"	76.91904
"1085223"	425.84534	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2K-H"	76.91904
"144955"	387.889458	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"2M+2K"	77.926316
"588892"	562.352608	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"3M+2K"	77.926316
"1069636"	213.426308	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2K"	77.926316
"1103331"	427.859892	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2K+H"	78.933592
"1337532"	427.947507	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+DMSO+H"	79.021207
"1011529"	431.986676	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2ACN+H"	83.060376
"1532933"	432.980308	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+IsoProp+Na+H"	84.054008
"993915"	216.496976	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+2ACN+2H"	84.067652
"1590605"	433.894928	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+K+HCOOH"	84.968628
"1415536"	463.926438	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+H+CF3COOH"	115.000138
"1148739"	237.010251	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+3ACN+2H"	125.094202
"1704853"	480.952985	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+NH4+CF3COOH"	132.026685
"1637224"	485.90838	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+Na+CF3COOH"	136.98208
"1583811"	501.88232	"C14322"	"Chlorpyrifos;Chlorpyriphos"	"C9H11Cl3NO3PS"	"348.9263"	"M+K+CF3COOH"	152.95602
"813082"	217.15	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M"	0
"986614"	198.13161	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-H2O-H"	-19.01839
"78475"	143.759390666667	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M-3H"	-3.021828
"518437"	216.142724	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M-3H"	-3.021828
"893324"	71.3760573333333	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-3H"	-3.021828
"14817"	216.142724	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M-2H"	-2.014552
"451099"	324.717724	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M-2H"	-2.014552
"829265"	107.567724	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-2H"	-2.014552
"91441"	433.292724	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M-H"	-1.007276
"529908"	650.442724	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M-H"	-1.007276
"906622"	216.142724	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-H"	-1.007276
"54435"	450.319271	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M-2H+NH4"	16.019271
"496181"	667.469271	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M-2H+NH4"	16.019271
"871796"	233.169271	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-2H+NH4"	16.019271
"41885"	455.274666	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M-2H+Na"	20.974666
"480351"	672.424666	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M-2H+Na"	20.974666
"859246"	238.124666	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-2H+Na"	20.974666
"1622584"	238.124666	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Na-2H"	20.974666
"96923"	234.131063	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M-H+Cl"	33.962126
"540494"	342.706063	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M-H+Cl"	33.962126
"931822"	125.556063	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-H+Cl"	33.962126
"274752"	469.269402	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+Cl"	34.969402
"667180"	686.419402	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+Cl"	34.969402
"1277397"	252.119402	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Cl"	34.969402
"20678"	471.248606	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M-2H+K"	36.948606
"462798"	688.398606	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M-2H+K"	36.948606
"840601"	254.098606	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-2H+K"	36.948606
"1560809"	254.098606	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+K-2H"	36.948606
"943460"	262.148194	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-H+HCOOH"	44.998194
"361676"	479.298201	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+HCOOH-H"	44.998201
"347508"	493.313851	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+Hac-H"	59.013851
"1493786"	276.163851	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Hac-H"	59.013851
"959864"	284.130151	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-H+NaCOOH"	66.980151
"112423"	252.119402	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+2Cl"	69.938804
"557821"	360.694402	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+2Cl"	69.938804
"1024431"	143.544402	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2Cl"	69.938804
"1244011"	296.068885	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Br"	78.918885
"1317761"	298.124872	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Cl+HCOOH"	80.974872
"1335019"	320.106829	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Cl+NaCOOH"	102.956829
"925469"	330.135586	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M-H+CF3COOH"	112.985586
"1291727"	366.112264	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Cl+CF3COOH"	148.962264
"1370252"	182.137324	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H-2H2O"	-35.012676
"1391759"	200.1473	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H-H2O"	-17.0027
"289260"	435.307276	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+H"	1.007276
"682775"	652.457276	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+H"	1.007276
"1356940"	218.157276	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H"	1.007276
"140406"	218.157276	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+2H"	2.014552
"580332"	326.732276	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+2H"	2.014552
"1050225"	109.582276	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2H"	2.014552
"219219"	145.773942666667	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+3H"	3.021828
"659395"	218.157276	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+3H"	3.021828
"1175080"	73.3906093333333	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+3H"	3.021828
"437255"	452.333823	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+NH4"	18.033823
"793512"	669.483823	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+NH4"	18.033823
"1694582"	235.183823	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+NH4"	18.033823
"340310"	226.6705495	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+H+NH4"	19.041099
"734918"	335.2455495	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+H+NH4"	19.041099
"1489835"	118.0955495	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H+NH4"	19.041099
"404141"	457.289218	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+Na"	22.989218
"761856"	674.439218	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+Na"	22.989218
"1612141"	240.139218	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Na"	22.989218
"321087"	229.148247	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+H+Na"	23.996494
"716789"	337.723247	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+H+Na"	23.996494
"1474983"	120.573247	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H+Na"	23.996494
"1066041"	80.7179233333333	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2H+Na"	25.00377
"1267723"	250.183486	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+CH3OH+H"	33.033486
"390670"	473.263158	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+K"	38.963158
"746196"	690.413158	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+K"	38.963158
"1546066"	256.113158	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+K"	38.963158
"299227"	237.135217	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+H+K"	39.970434
"693474"	345.710217	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+H+K"	39.970434
"1452761"	128.560217	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H+K"	39.970434
"238811"	476.333826	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+ACN+H"	42.033826
"1213706"	259.183826	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+ACN+H"	42.033826
"1200869"	130.095551	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+ACN+2H"	43.041102
"190460"	479.27116	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+2Na-H"	44.97116
"629409"	696.42116	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+2Na-H"	44.97116
"1132064"	262.12116	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2Na-H"	44.97116
"173041"	240.139218	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+2Na"	45.978436
"612836"	348.714218	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+2Na"	45.978436
"1115861"	131.564218	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2Na"	45.978436
"1398657"	88.0452373333333	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H+2Na"	46.985712
"1430291"	264.162746	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H+HCOOH"	47.012746
"220191"	245.17224	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+3H2O+2H"	56.04448
"1508618"	278.21479	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+IsoProp+H"	61.06479
"408722"	248.126188	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+Na+K"	61.952376
"771045"	356.701188	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+Na+K"	61.952376
"1665694"	139.551188	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Na+K"	61.952376
"256091"	498.315768	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+ACN+Na"	64.015768
"1230990"	281.165768	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+ACN+Na"	64.015768
"1718783"	281.189293	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+NH4+HCOOH"	64.039293
"1185234"	95.3725513333333	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+3Na"	68.967654
"1659501"	286.144688	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Na+HCOOH"	68.994688
"169280"	511.21904	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+2K-H"	76.91904
"599727"	728.36904	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+2K-H"	76.91904
"1085084"	294.06904	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2K-H"	76.91904
"150532"	256.113158	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"2M+2K"	77.926316
"585723"	364.688158	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"3M+2K"	77.926316
"1068620"	147.538158	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2K"	77.926316
"1102348"	296.083592	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2K+H"	78.933592
"1337641"	296.171207	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+DMSO+H"	79.021207
"1008358"	300.210376	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2ACN+H"	83.060376
"1534137"	301.204008	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+IsoProp+Na+H"	84.054008
"1001679"	150.608826	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+2ACN+2H"	84.067652
"1598369"	302.118628	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+K+HCOOH"	84.968628
"1416374"	332.150138	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+H+CF3COOH"	115.000138
"1151036"	171.122101	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+3ACN+2H"	125.094202
"1704963"	349.176685	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+NH4+CF3COOH"	132.026685
"1637334"	354.13208	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+Na+CF3COOH"	136.98208
"1583921"	370.10602	"C14323"	"Butylate;Sutan;S-Ethyl NN-diisobutylthiocarbamate"	"C11H23NOS"	"217.15"	"M+K+CF3COOH"	152.95602
"804444"	304.1011	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M"	0
"975788"	285.08271	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-H2O-H"	-19.01839
"69499"	201.726790666667	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M-3H"	-3.021828
"514526"	303.093824	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M-3H"	-3.021828
"887956"	100.359757333333	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-3H"	-3.021828
"14562"	303.093824	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M-2H"	-2.014552
"451574"	455.144374	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M-2H"	-2.014552
"828281"	151.043274	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-2H"	-2.014552
"89364"	607.194924	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M-H"	-1.007276
"530018"	911.296024	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M-H"	-1.007276
"903448"	303.093824	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-H"	-1.007276
"51630"	624.221471	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M-2H+NH4"	16.019271
"494105"	928.322571	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M-2H+NH4"	16.019271
"871905"	320.120371	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-2H+NH4"	16.019271
"44182"	629.176866	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M-2H+Na"	20.974666
"483740"	933.277966	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M-2H+Na"	20.974666
"860449"	325.075766	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-2H+Na"	20.974666
"1631072"	325.075766	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Na-2H"	20.974666
"98128"	321.082163	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M-H+Cl"	33.962126
"539875"	473.132713	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M-H+Cl"	33.962126
"934121"	169.031613	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-H+Cl"	33.962126
"271948"	643.171602	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+Cl"	34.969402
"667290"	947.272702	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+Cl"	34.969402
"1277871"	339.070502	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Cl"	34.969402
"19696"	645.150806	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M-2H+K"	36.948606
"462908"	949.251906	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M-2H+K"	36.948606
"840711"	341.049706	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-2H+K"	36.948606
"1558732"	341.049706	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+K-2H"	36.948606
"942974"	349.099294	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-H+HCOOH"	44.998194
"361534"	653.200401	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+HCOOH-H"	44.998201
"346149"	667.216051	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+Hac-H"	59.013851
"1493158"	363.114951	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Hac-H"	59.013851
"958708"	371.081251	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-H+NaCOOH"	66.980151
"110332"	339.070502	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+2Cl"	69.938804
"550303"	491.121052	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+2Cl"	69.938804
"1021986"	187.019952	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2Cl"	69.938804
"1241929"	383.019985	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Br"	78.918885
"1310944"	385.075972	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Cl+HCOOH"	80.974872
"1333546"	407.057929	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Cl+NaCOOH"	102.956829
"924241"	417.086686	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M-H+CF3COOH"	112.985586
"1302651"	453.063364	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Cl+CF3COOH"	148.962264
"1376558"	269.088424	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H-2H2O"	-35.012676
"1391869"	287.0984	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H-H2O"	-17.0027
"289370"	609.209476	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+H"	1.007276
"682885"	913.310576	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+H"	1.007276
"1357050"	305.108376	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H"	1.007276
"140152"	305.108376	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+2H"	2.014552
"580077"	457.158926	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+2H"	2.014552
"1051061"	153.057826	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2H"	2.014552
"219572"	203.741342666667	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+3H"	3.021828
"658523"	305.108376	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+3H"	3.021828
"1175916"	102.374309333333	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+3H"	3.021828
"438094"	626.236023	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+NH4"	18.033823
"791435"	930.337123	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+NH4"	18.033823
"1694327"	322.134923	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+NH4"	18.033823
"339326"	313.6216495	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+H+NH4"	19.041099
"731384"	465.6721995	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+H+NH4"	19.041099
"1491767"	161.5710995	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H+NH4"	19.041099
"405342"	631.191418	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+Na"	22.989218
"758685"	935.292518	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+Na"	22.989218
"1613345"	327.090318	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Na"	22.989218
"322290"	316.099347	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+H+Na"	23.996494
"715805"	468.149897	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+H+Na"	23.996494
"1473999"	164.048797	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H+Na"	23.996494
"1066151"	109.701623333333	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2H+Na"	25.00377
"1270746"	337.134586	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+CH3OH+H"	33.033486
"389686"	647.165358	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+K"	38.963158
"750681"	951.266458	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+K"	38.963158
"1546176"	343.064258	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+K"	38.963158
"300434"	324.086317	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+H+K"	39.970434
"693948"	476.136867	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+H+K"	39.970434
"1452871"	172.035767	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H+K"	39.970434
"238921"	650.236026	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+ACN+H"	42.033826
"1214180"	346.134926	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+ACN+H"	42.033826
"1199887"	173.571101	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+ACN+2H"	43.041102
"191299"	653.17336	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+2Na-H"	44.97116
"629640"	957.27446	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+2Na-H"	44.97116
"1131808"	349.07226	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2Na-H"	44.97116
"173152"	327.090318	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+2Na"	45.978436
"613023"	479.140868	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+2Na"	45.978436
"1115853"	175.039768	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2Na"	45.978436
"1398603"	117.028937333333	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H+2Na"	46.985712
"1430075"	351.113846	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H+HCOOH"	47.012746
"220586"	332.12334	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+3H2O+2H"	56.04448
"1508495"	365.16589	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+IsoProp+H"	61.06479
"409066"	335.077288	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+Na+K"	61.952376
"770255"	487.127838	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+Na+K"	61.952376
"1665740"	183.026738	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Na+K"	61.952376
"255836"	672.217968	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+ACN+Na"	64.015768
"1234381"	368.116868	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+ACN+Na"	64.015768
"1723268"	368.140393	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+NH4+HCOOH"	64.039293
"1185344"	124.356251333333	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+3Na"	68.967654
"1661798"	373.095788	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Na+HCOOH"	68.994688
"165380"	685.12124	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+2K-H"	76.91904
"600568"	989.22234	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+2K-H"	76.91904
"1085804"	381.02014	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2K-H"	76.91904
"142503"	343.064258	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"2M+2K"	77.926316
"581934"	495.114808	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"3M+2K"	77.926316
"1069974"	191.013708	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2K"	77.926316
"1102459"	383.034692	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2K+H"	78.933592
"1336409"	383.122307	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+DMSO+H"	79.021207
"1007010"	387.161476	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2ACN+H"	83.060376
"1534247"	388.155108	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+IsoProp+Na+H"	84.054008
"999602"	194.084376	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+2ACN+2H"	84.067652
"1597384"	389.069728	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+K+HCOOH"	84.968628
"1417579"	419.101238	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+H+CF3COOH"	115.000138
"1152239"	214.597651	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+3ACN+2H"	125.094202
"1705073"	436.127785	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+NH4+CF3COOH"	132.026685
"1637444"	441.08318	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+Na+CF3COOH"	136.98208
"1584031"	457.05712	"C14324"	"Diazinon"	"C12H21N2O3PS"	"304.1011"	"M+K+CF3COOH"	152.95602
"804554"	278.1096	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M"	0
"976991"	259.09121	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-H2O-H"	-19.01839
"67421"	184.399124	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M-3H"	-3.021828
"511355"	277.102324	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M-3H"	-3.021828
"883691"	91.695924	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-3H"	-3.021828
"14671"	277.102324	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M-2H"	-2.014552
"451684"	416.157124	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M-2H"	-2.014552
"828391"	138.047524	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-2H"	-2.014552
"88381"	555.211924	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M-H"	-1.007276
"531950"	833.321524	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M-H"	-1.007276
"902466"	277.102324	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-H"	-1.007276
"51376"	572.238471	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M-2H+NH4"	16.019271
"494214"	850.348071	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M-2H+NH4"	16.019271
"870924"	294.128871	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-2H+NH4"	16.019271
"45265"	577.193866	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M-2H+Na"	20.974666
"484823"	855.303466	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M-2H+Na"	20.974666
"861652"	299.084266	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-2H+Na"	20.974666
"1630089"	299.084266	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Na-2H"	20.974666
"103343"	295.090663	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M-H+Cl"	33.962126
"543998"	434.145463	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M-H+Cl"	33.962126
"934232"	156.035863	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-H+Cl"	33.962126
"278256"	591.188602	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+Cl"	34.969402
"672864"	869.298202	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+Cl"	34.969402
"1277617"	313.079002	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Cl"	34.969402
"19442"	593.167806	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M-2H+K"	36.948606
"463018"	871.277406	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M-2H+K"	36.948606
"841914"	315.058206	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-2H+K"	36.948606
"1558842"	315.058206	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+K-2H"	36.948606
"943437"	323.107794	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-H+HCOOH"	44.998194
"361686"	601.217401	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+HCOOH-H"	44.998201
"345865"	615.233051	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+Hac-H"	59.013851
"1493145"	337.123451	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Hac-H"	59.013851
"958659"	345.089751	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-H+NaCOOH"	66.980151
"110047"	313.079002	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+2Cl"	69.938804
"550055"	452.133802	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+2Cl"	69.938804
"1022096"	174.024202	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2Cl"	69.938804
"1242768"	357.028485	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Br"	78.918885
"1311054"	359.084472	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Cl+HCOOH"	80.974872
"1332926"	381.066429	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Cl+NaCOOH"	102.956829
"924714"	391.095186	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M-H+CF3COOH"	112.985586
"1303613"	427.071864	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Cl+CF3COOH"	148.962264
"1375574"	243.096924	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H-2H2O"	-35.012676
"1391979"	261.1069	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H-H2O"	-17.0027
"283280"	557.226476	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+H"	1.007276
"682995"	835.336076	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+H"	1.007276
"1357160"	279.116876	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H"	1.007276
"137705"	279.116876	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+2H"	2.014552
"578000"	418.171676	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+2H"	2.014552
"1050080"	140.062076	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2H"	2.014552
"218344"	186.413676	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+3H"	3.021828
"652434"	279.116876	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+3H"	3.021828
"1172743"	93.710476	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+3H"	3.021828
"436015"	574.253023	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+NH4"	18.033823
"792637"	852.362623	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+NH4"	18.033823
"1692249"	296.143423	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+NH4"	18.033823
"335059"	287.6301495	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+H+NH4"	19.041099
"727484"	426.6849495	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+H+NH4"	19.041099
"1485681"	148.5753495	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H+NH4"	19.041099
"401078"	579.208418	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+Na"	22.989218
"762075"	857.318018	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+Na"	22.989218
"1610174"	301.098818	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Na"	22.989218
"320213"	290.107847	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+H+Na"	23.996494
"712634"	429.162647	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+H+Na"	23.996494
"1471922"	151.053047	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H+Na"	23.996494
"1064073"	101.03779	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2H+Na"	25.00377
"1266847"	311.143086	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+CH3OH+H"	33.033486
"390890"	595.182358	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+K"	38.963158
"750792"	873.291958	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+K"	38.963158
"1546286"	317.072758	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+K"	38.963158
"302366"	298.094817	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+H+K"	39.970434
"693694"	437.149617	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+H+K"	39.970434
"1456261"	159.040017	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H+K"	39.970434
"241583"	598.253026	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+ACN+H"	42.033826
"1220853"	320.143426	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+ACN+H"	42.033826
"1200364"	160.575351	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+ACN+2H"	43.041102
"189136"	601.19036	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+2Na-H"	44.97116
"628689"	879.29996	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+2Na-H"	44.97116
"1132526"	323.08076	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2Na-H"	44.97116
"172913"	301.098818	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+2Na"	45.978436
"612812"	440.153618	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+2Na"	45.978436
"1115964"	162.044018	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2Na"	45.978436
"1398597"	108.365104	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H+2Na"	46.985712
"1430143"	325.122346	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H+HCOOH"	47.012746
"223982"	306.13184	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+3H2O+2H"	56.04448
"1510585"	339.17439	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+IsoProp+H"	61.06479
"412465"	309.085788	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+Na+K"	61.952376
"773456"	448.140588	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+Na+K"	61.952376
"1669787"	170.030988	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Na+K"	61.952376
"258864"	620.234968	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+ACN+Na"	64.015768
"1232305"	342.125368	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+ACN+Na"	64.015768
"1723378"	342.148893	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+NH4+HCOOH"	64.039293
"1190919"	115.692418	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+3Na"	68.967654
"1657536"	347.104288	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Na+HCOOH"	68.994688
"166583"	633.13824	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+2K-H"	76.91904
"597882"	911.24784	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+2K-H"	76.91904
"1084701"	355.02864	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2K-H"	76.91904
"142370"	317.072758	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"2M+2K"	77.926316
"581467"	456.127558	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"3M+2K"	77.926316
"1069482"	178.017958	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2K"	77.926316
"1100988"	357.043192	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2K+H"	78.933592
"1336766"	357.130807	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+DMSO+H"	79.021207
"1010766"	361.169976	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2ACN+H"	83.060376
"1532170"	362.163608	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+IsoProp+Na+H"	84.054008
"995337"	181.088626	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+2ACN+2H"	84.067652
"1590933"	363.078228	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+K+HCOOH"	84.968628
"1418783"	393.109738	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+H+CF3COOH"	115.000138
"1151620"	201.601901	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+3ACN+2H"	125.094202
"1705183"	410.136285	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+NH4+CF3COOH"	132.026685
"1637554"	415.09168	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+Na+CF3COOH"	136.98208
"1584141"	431.06562	"C14325"	"Dibenzahanthracene;12:56-Dibenzanthracene"	"C22H14"	"278.1096"	"M+K+CF3COOH"	152.95602
"804664"	228.9996	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M"	0
"977101"	209.98121	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-H2O-H"	-19.01839
"70811"	151.659124	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M-3H"	-3.021828
"514745"	227.992324	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M-3H"	-3.021828
"892547"	75.325924	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-3H"	-3.021828
"14417"	227.992324	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M-2H"	-2.014552
"452887"	342.492124	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M-2H"	-2.014552
"827408"	113.492524	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-2H"	-2.014552
"86305"	456.991924	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M-H"	-1.007276
"530967"	685.991524	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M-H"	-1.007276
"901483"	227.992324	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-H"	-1.007276
"49662"	474.018471	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M-2H+NH4"	16.019271
"493233"	703.018071	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M-2H+NH4"	16.019271
"873222"	245.018871	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-2H+NH4"	16.019271
"43309"	478.973866	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M-2H+Na"	20.974666
"482868"	707.973466	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M-2H+Na"	20.974666
"861397"	249.974266	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-2H+Na"	20.974666
"1630199"	249.974266	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Na-2H"	20.974666
"100173"	245.980663	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M-H+Cl"	33.962126
"544108"	360.480463	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M-H+Cl"	33.962126
"937624"	131.480863	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-H+Cl"	33.962126
"278368"	492.968602	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+Cl"	34.969402
"669696"	721.968202	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+Cl"	34.969402
"1276634"	263.969002	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Cl"	34.969402
"19188"	494.947806	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M-2H+K"	36.948606
"466408"	723.947406	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M-2H+K"	36.948606
"837651"	265.948206	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-2H+K"	36.948606
"1558223"	265.948206	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+K-2H"	36.948606
"942960"	273.997794	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-H+HCOOH"	44.998194
"361754"	502.997401	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+HCOOH-H"	44.998201
"346004"	517.013051	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+Hac-H"	59.013851
"1493377"	288.013451	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Hac-H"	59.013851
"958647"	295.979751	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-H+NaCOOH"	66.980151
"110190"	263.969002	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+2Cl"	69.938804
"550361"	378.468802	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+2Cl"	69.938804
"1021553"	149.469202	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2Cl"	69.938804
"1241496"	307.918485	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Br"	78.918885
"1308978"	309.974472	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Cl+HCOOH"	80.974872
"1333036"	331.956429	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Cl+NaCOOH"	102.956829
"924824"	341.985186	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M-H+CF3COOH"	112.985586
"1302993"	377.961864	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Cl+CF3COOH"	148.962264
"1375684"	193.986924	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H-2H2O"	-35.012676
"1390996"	211.9969	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H-H2O"	-17.0027
"289590"	459.006476	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+H"	1.007276
"683105"	688.006076	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+H"	1.007276
"1357270"	230.006876	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H"	1.007276
"136721"	230.006876	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+2H"	2.014552
"578109"	344.506676	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+2H"	2.014552
"1043989"	115.507076	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2H"	2.014552
"215170"	153.673676	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+3H"	3.021828
"652543"	230.006876	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+3H"	3.021828
"1171761"	77.340476	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+3H"	3.021828
"431751"	476.033023	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+NH4"	18.033823
"792746"	705.032623	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+NH4"	18.033823
"1686162"	247.033423	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+NH4"	18.033823
"339544"	238.5201495	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+H+NH4"	19.041099
"727592"	353.0199495	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+H+NH4"	19.041099
"1481415"	124.0203495	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H+NH4"	19.041099
"395720"	480.988418	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+Na"	22.989218
"754892"	709.988018	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+Na"	22.989218
"1612469"	251.988818	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Na"	22.989218
"320323"	240.997847	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+H+Na"	23.996494
"714929"	355.497647	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+H+Na"	23.996494
"1469846"	126.498047	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H+Na"	23.996494
"1060902"	84.66779	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2H+Na"	25.00377
"1268050"	262.033086	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+CH3OH+H"	33.033486
"387719"	496.962358	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+K"	38.963158
"750538"	725.961958	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+K"	38.963158
"1547488"	267.962758	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+K"	38.963158
"298872"	248.984817	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+H+K"	39.970434
"694899"	363.484617	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+H+K"	39.970434
"1447622"	134.485017	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H+K"	39.970434
"241695"	500.033026	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+ACN+H"	42.033826
"1217686"	271.033426	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+ACN+H"	42.033826
"1201568"	136.020351	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+ACN+2H"	43.041102
"189088"	502.97036	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+2Na-H"	44.97116
"632905"	731.96996	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+2Na-H"	44.97116
"1131987"	273.97076	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2Na-H"	44.97116
"173009"	251.988818	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+2Na"	45.978436
"615245"	366.488618	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+2Na"	45.978436
"1116563"	137.489018	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2Na"	45.978436
"1399276"	91.995104	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H+2Na"	46.985712
"1430748"	276.012346	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H+HCOOH"	47.012746
"220402"	257.02184	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+3H2O+2H"	56.04448
"1509967"	290.06439	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+IsoProp+H"	61.06479
"409657"	259.975788	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+Na+K"	61.952376
"773569"	374.475588	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+Na+K"	61.952376
"1666981"	145.475988	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Na+K"	61.952376
"252407"	522.014968	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+ACN+Na"	64.015768
"1230226"	293.015368	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+ACN+Na"	64.015768
"1717291"	293.038893	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+NH4+HCOOH"	64.039293
"1180824"	99.322418	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+3Na"	68.967654
"1655822"	297.994288	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Na+HCOOH"	68.994688
"157331"	534.91824	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+2K-H"	76.91904
"597132"	763.91784	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+2K-H"	76.91904
"1084314"	305.91864	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2K-H"	76.91904
"142841"	267.962758	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"2M+2K"	77.926316
"581591"	382.462558	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"3M+2K"	77.926316
"1069834"	153.462958	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2K"	77.926316
"1100030"	307.933192	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2K+H"	78.933592
"1335728"	308.020807	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+DMSO+H"	79.021207
"1006987"	312.059976	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2ACN+H"	83.060376
"1528999"	313.053608	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+IsoProp+Na+H"	84.054008
"994354"	156.533626	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+2ACN+2H"	84.067652
"1591043"	313.968228	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+K+HCOOH"	84.968628
"1419986"	343.999738	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+H+CF3COOH"	115.000138
"1148812"	177.046901	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+3ACN+2H"	125.094202
"1699825"	361.026285	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+NH4+CF3COOH"	132.026685
"1637664"	365.98168	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+Na+CF3COOH"	136.98208
"1584251"	381.95562	"C14326"	"Dimethoate"	"C5H12NO3PS2"	"228.9996"	"M+K+CF3COOH"	152.95602
"810242"	385.816	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M"	0
"978306"	366.79761	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-H2O-H"	-19.01839
"70921"	256.203390666667	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M-3H"	-3.021828
"505014"	384.808724	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M-3H"	-3.021828
"891565"	127.598057333333	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-3H"	-3.021828
"15300"	384.808724	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M-2H"	-2.014552
"454575"	577.716724	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M-2H"	-2.014552
"829704"	191.900724	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-2H"	-2.014552
"88601"	770.624724	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M-H"	-1.007276
"531441"	1156.440724	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M-H"	-1.007276
"907061"	384.808724	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-H"	-1.007276
"51230"	787.651271	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M-2H+NH4"	16.019271
"500997"	1173.467271	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M-2H+NH4"	16.019271
"878197"	401.835271	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-2H+NH4"	16.019271
"45730"	792.606666	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M-2H+Na"	20.974666
"485164"	1178.422666	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M-2H+Na"	20.974666
"859684"	406.790666	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-2H+Na"	20.974666
"1627030"	406.790666	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Na-2H"	20.974666
"106843"	402.797063	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M-H+Cl"	33.962126
"547137"	595.705063	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M-H+Cl"	33.962126
"940894"	209.889063	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-H+Cl"	33.962126
"281394"	806.601402	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+Cl"	34.969402
"674544"	1192.417402	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+Cl"	34.969402
"1282211"	420.785402	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Cl"	34.969402
"19300"	808.580606	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M-2H+K"	36.948606
"465426"	1194.396606	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M-2H+K"	36.948606
"839948"	422.764606	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-2H+K"	36.948606
"1560155"	422.764606	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+K-2H"	36.948606
"943663"	430.814194	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-H+HCOOH"	44.998194
"361530"	816.630201	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+HCOOH-H"	44.998201
"345994"	830.645851	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+Hac-H"	59.013851
"1493733"	444.829851	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Hac-H"	59.013851
"959209"	452.796151	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-H+NaCOOH"	66.980151
"111034"	420.785402	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+2Cl"	69.938804
"550227"	613.693402	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+2Cl"	69.938804
"1021372"	227.877402	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2Cl"	69.938804
"1241419"	464.734885	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Br"	78.918885
"1310181"	466.790872	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Cl+HCOOH"	80.974872
"1329865"	488.772829	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Cl+NaCOOH"	102.956829
"922017"	498.801586	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M-H+CF3COOH"	112.985586
"1302010"	534.778264	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Cl+CF3COOH"	148.962264
"1375794"	350.803324	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H-2H2O"	-35.012676
"1392199"	368.8133	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H-H2O"	-17.0027
"289700"	772.639276	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+H"	1.007276
"683215"	1158.455276	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+H"	1.007276
"1360660"	386.823276	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H"	1.007276
"139385"	386.823276	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+2H"	2.014552
"578580"	579.731276	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+2H"	2.014552
"1047379"	193.915276	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2H"	2.014552
"217103"	258.217942666667	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+3H"	3.021828
"653746"	386.823276	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+3H"	3.021828
"1169319"	129.612609333333	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+3H"	3.021828
"438058"	789.665823	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+NH4"	18.033823
"793221"	1175.481823	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+NH4"	18.033823
"1686637"	403.849823	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+NH4"	18.033823
"336372"	395.3365495	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+H+NH4"	19.041099
"727705"	588.2445495	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+H+NH4"	19.041099
"1482619"	202.4285495	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H+NH4"	19.041099
"400205"	794.621218	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+Na"	22.989218
"762295"	1180.437218	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+Na"	22.989218
"1610393"	408.805218	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Na"	22.989218
"323713"	397.814247	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+H+Na"	23.996494
"718690"	590.722247	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+H+Na"	23.996494
"1472508"	204.906247	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H+Na"	23.996494
"1064291"	136.939923333333	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2H+Na"	25.00377
"1269253"	418.849486	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+CH3OH+H"	33.033486
"389651"	810.595158	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+K"	38.963158
"748822"	1196.411158	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+K"	38.963158
"1548692"	424.779158	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+K"	38.963158
"298696"	405.801217	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+H+K"	39.970434
"695009"	598.709217	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+H+K"	39.970434
"1447370"	212.893217	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H+K"	39.970434
"237065"	813.665826	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+ACN+H"	42.033826
"1217796"	427.849826	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+ACN+H"	42.033826
"1196572"	214.428551	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+ACN+2H"	43.041102
"189193"	816.60316	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+2Na-H"	44.97116
"629368"	1202.41916	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+2Na-H"	44.97116
"1133237"	430.78716	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2Na-H"	44.97116
"172996"	408.805218	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+2Na"	45.978436
"613161"	601.713218	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+2Na"	45.978436
"1115984"	215.897218	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2Na"	45.978436
"1398611"	144.267237333333	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H+2Na"	46.985712
"1430494"	432.828746	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H+HCOOH"	47.012746
"222015"	413.83824	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+3H2O+2H"	56.04448
"1509590"	446.88079	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+IsoProp+H"	61.06479
"409401"	416.792188	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+Na+K"	61.952376
"771127"	609.700188	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+Na+K"	61.952376
"1666726"	223.884188	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Na+K"	61.952376
"251786"	835.647768	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+ACN+Na"	64.015768
"1229243"	449.831768	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+ACN+Na"	64.015768
"1720319"	449.855293	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+NH4+HCOOH"	64.039293
"1190046"	151.594551333333	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+3Na"	68.967654
"1656660"	454.810688	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Na+HCOOH"	68.994688
"166800"	848.55104	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+2K-H"	76.91904
"597856"	1234.36704	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+2K-H"	76.91904
"1085285"	462.73504	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2K-H"	76.91904
"143682"	424.779158	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"2M+2K"	77.926316
"582151"	617.687158	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"3M+2K"	77.926316
"1070673"	231.871158	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2K"	77.926316
"1101086"	464.749592	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2K+H"	78.933592
"1336622"	464.837207	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+DMSO+H"	79.021207
"1009892"	468.876376	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2ACN+H"	83.060376
"1529109"	469.870008	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+IsoProp+Na+H"	84.054008
"997743"	234.941826	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+2ACN+2H"	84.067652
"1591153"	470.784628	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+K+HCOOH"	84.968628
"1417909"	500.816138	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+H+CF3COOH"	115.000138
"1149290"	255.455101	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+3ACN+2H"	125.094202
"1699935"	517.842685	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+NH4+CF3COOH"	132.026685
"1637774"	522.79808	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+Na+CF3COOH"	136.98208
"1584361"	538.77202	"C14327"	"Heptachlor epoxide"	"C10H5Cl7O"	"385.816"	"M+K+CF3COOH"	152.95602
"808164"	145.969	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M"	0
"981696"	126.95061	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H2O-H"	-19.01839
"76499"	96.3053906666667	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-3H"	-3.021828
"514965"	144.961724	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-3H"	-3.021828
"892768"	47.6490573333333	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-3H"	-3.021828
"1506"	144.961724	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H"	-2.014552
"453713"	217.946224	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H"	-2.014552
"830665"	71.977224	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H"	-2.014552
"91749"	290.930724	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-H"	-1.007276
"532403"	436.899724	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-H"	-1.007276
"907171"	144.961724	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H"	-1.007276
"52434"	307.957271	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+NH4"	16.019271
"492724"	453.926271	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+NH4"	16.019271
"878787"	161.988271	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+NH4"	16.019271
"45718"	312.912666	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+Na"	20.974666
"485274"	458.881666	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+Na"	20.974666
"859794"	166.943666	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+Na"	20.974666
"1624953"	166.943666	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na-2H"	20.974666
"103669"	162.950063	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-H+Cl"	33.962126
"542135"	235.934563	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-H+Cl"	33.962126
"929089"	89.965563	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+Cl"	33.962126
"273114"	326.907402	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Cl"	34.969402
"672101"	472.876402	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Cl"	34.969402
"1279041"	180.938402	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl"	34.969402
"18316"	328.886606	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+K"	36.948606
"466629"	474.855606	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+K"	36.948606
"840059"	182.917606	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+K"	36.948606
"1563547"	182.917606	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K-2H"	36.948606
"943165"	190.967194	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+HCOOH"	44.998194
"363081"	336.936201	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+HCOOH-H"	44.998201
"346225"	350.951851	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Hac-H"	59.013851
"1493356"	204.982851	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Hac-H"	59.013851
"959195"	212.949151	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+NaCOOH"	66.980151
"110175"	180.938402	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Cl"	69.938804
"550218"	253.922902	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Cl"	69.938804
"1026074"	107.953902	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Cl"	69.938804
"1241473"	224.887885	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Br"	78.918885
"1310291"	226.943872	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+HCOOH"	80.974872
"1329975"	248.925829	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+NaCOOH"	102.956829
"921034"	258.954586	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+CF3COOH"	112.985586
"1303213"	294.931264	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+CF3COOH"	148.962264
"1375904"	110.956324	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H-2H2O"	-35.012676
"1391216"	128.9663	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H-H2O"	-17.0027
"288716"	292.945276	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H"	1.007276
"676880"	438.914276	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H"	1.007276
"1360770"	146.976276	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H"	1.007276
"136939"	146.976276	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2H"	2.014552
"578690"	219.960776	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2H"	2.014552
"1047489"	73.991776	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2H"	2.014552
"215390"	98.3199426666667	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+3H"	3.021828
"653858"	146.976276	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+3H"	3.021828
"1170888"	49.6636093333333	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3H"	3.021828
"437318"	309.971823	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+NH4"	18.033823
"795154"	455.940823	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+NH4"	18.033823
"1688568"	164.002823	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4"	18.033823
"336484"	155.4895495	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+NH4"	19.041099
"730003"	228.4740495	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+NH4"	19.041099
"1482729"	82.5050495	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+NH4"	19.041099
"400316"	314.927218	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Na"	22.989218
"763498"	460.896218	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Na"	22.989218
"1612690"	168.958218	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na"	22.989218
"326010"	157.967247	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+Na"	23.996494
"718434"	230.951747	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+Na"	23.996494
"1470066"	84.982747	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+Na"	23.996494
"1063308"	56.9909233333333	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2H+Na"	25.00377
"1268269"	179.002486	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+CH3OH+H"	33.033486
"388303"	330.901158	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+K"	38.963158
"747842"	476.870158	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+K"	38.963158
"1548802"	184.932158	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K"	38.963158
"298841"	165.954217	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+K"	39.970434
"694389"	238.938717	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+K"	39.970434
"1447115"	92.969717	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+K"	39.970434
"237905"	333.971826	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+ACN+H"	42.033826
"1210977"	188.002826	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+H"	42.033826
"1197049"	94.505051	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+2H"	43.041102
"189553"	336.90916	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Na-H"	44.97116
"629226"	482.87816	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Na-H"	44.97116
"1132984"	190.94016	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Na-H"	44.97116
"173234"	168.958218	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Na"	45.978436
"614251"	241.942718	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Na"	45.978436
"1117023"	95.973718	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Na"	45.978436
"1399209"	64.3182373333333	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+2Na"	46.985712
"1432432"	192.981746	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+HCOOH"	47.012746
"221761"	173.99124	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+3H2O+2H"	56.04448
"1510189"	207.03379	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+IsoProp+H"	61.06479
"409877"	176.945188	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Na+K"	61.952376
"771966"	249.929688	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Na+K"	61.952376
"1666105"	103.960688	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+K"	61.952376
"251654"	355.953768	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+ACN+Na"	64.015768
"1232269"	209.984768	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+Na"	64.015768
"1719699"	210.008293	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4+HCOOH"	64.039293
"1187969"	71.6455513333333	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3Na"	68.967654
"1656769"	214.963688	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+HCOOH"	68.994688
"163630"	368.85704	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2K-H"	76.91904
"598456"	514.82604	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2K-H"	76.91904
"1086613"	222.88804	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K-H"	76.91904
"146707"	184.932158	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2K"	77.926316
"582381"	257.916658	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2K"	77.926316
"1068796"	111.947658	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K"	77.926316
"1100346"	224.902592	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K+H"	78.933592
"1336245"	224.990207	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+DMSO+H"	79.021207
"1011095"	229.029376	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2ACN+H"	83.060376
"1529219"	230.023008	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+IsoProp+Na+H"	84.054008
"994574"	115.018326	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2ACN+2H"	84.067652
"1594545"	230.937628	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K+HCOOH"	84.968628
"1415831"	260.969138	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+CF3COOH"	115.000138
"1149399"	135.531601	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3ACN+2H"	125.094202
"1699316"	277.995685	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4+CF3COOH"	132.026685
"1643352"	282.95108	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+CF3COOH"	136.98208
"1584471"	298.92502	"C14328"	"12-Dichlorobenzene;o-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K+CF3COOH"	152.95602
"804994"	156.0939	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M"	0
"978525"	137.07551	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H2O-H"	-19.01839
"73328"	103.055324	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-3H"	-3.021828
"508515"	155.086624	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-3H"	-3.021828
"889598"	51.024024	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-3H"	-3.021828
"1616"	155.086624	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H"	-2.014552
"451022"	233.133574	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H"	-2.014552
"828828"	77.039674	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H"	-2.014552
"92101"	311.180524	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H"	-1.007276
"530568"	467.274424	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H"	-1.007276
"903994"	155.086624	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H"	-1.007276
"62392"	328.207071	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+NH4"	16.019271
"495750"	484.300971	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+NH4"	16.019271
"879344"	172.113171	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+NH4"	16.019271
"44731"	333.162466	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+Na"	20.974666
"484290"	489.256366	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+Na"	20.974666
"860997"	177.068566	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+Na"	20.974666
"1625063"	177.068566	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na-2H"	20.974666
"101592"	173.074963	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H+Cl"	33.962126
"542245"	251.121913	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H+Cl"	33.962126
"929563"	95.028013	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+Cl"	33.962126
"273224"	347.157202	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Cl"	34.969402
"670025"	503.251102	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Cl"	34.969402
"1279150"	191.063302	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl"	34.969402
"19519"	349.136406	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+K"	36.948606
"463460"	505.230306	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+K"	36.948606
"840167"	193.042506	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+K"	36.948606
"1561468"	193.042506	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K-2H"	36.948606
"947164"	201.092094	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+HCOOH"	44.998194
"361973"	357.186001	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+HCOOH-H"	44.998201
"346219"	371.201651	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Hac-H"	59.013851
"1493596"	215.107751	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Hac-H"	59.013851
"959437"	223.074051	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+NaCOOH"	66.980151
"110889"	191.063302	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Cl"	69.938804
"550328"	269.110252	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Cl"	69.938804
"1028372"	113.016352	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Cl"	69.938804
"1241505"	235.012785	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Br"	78.918885
"1310401"	237.068772	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+HCOOH"	80.974872
"1334097"	259.050729	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+NaCOOH"	102.956829
"924425"	269.079486	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+CF3COOH"	112.985586
"1304011"	305.056164	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+CF3COOH"	148.962264
"1379297"	121.081224	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-2H2O"	-35.012676
"1395700"	139.0912	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-H2O"	-17.0027
"294293"	313.195076	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H"	1.007276
"684528"	469.288976	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H"	1.007276
"1364160"	157.101176	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H"	1.007276
"138143"	157.101176	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2H"	2.014552
"576613"	235.148126	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2H"	2.014552
"1050152"	79.054226	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H"	2.014552
"218416"	105.069876	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H"	3.021828
"656155"	157.101176	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+3H"	3.021828
"1173184"	53.038576	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3H"	3.021828
"437915"	330.221623	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+NH4"	18.033823
"796358"	486.315523	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+NH4"	18.033823
"1691594"	174.127723	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4"	18.033823
"340968"	165.6144495	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+NH4"	19.041099
"730110"	243.6613995	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+NH4"	19.041099
"1487214"	87.5674995	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+NH4"	19.041099
"398238"	335.177018	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na"	22.989218
"762515"	491.270918	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na"	22.989218
"1611706"	179.083118	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na"	22.989218
"326120"	168.092147	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+Na"	23.996494
"718544"	246.139097	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+Na"	23.996494
"1473455"	90.045197	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+Na"	23.996494
"1061231"	60.36589	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H+Na"	25.00377
"1270930"	189.127386	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+CH3OH+H"	33.033486
"389870"	351.150958	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+K"	38.963158
"749410"	507.244858	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+K"	38.963158
"1544538"	195.057058	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K"	38.963158
"307182"	176.079117	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+K"	39.970434
"694134"	254.126067	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+K"	39.970434
"1447955"	98.032167	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+K"	39.970434
"236923"	354.221626	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+H"	42.033826
"1210265"	198.127726	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+H"	42.033826
"1196431"	99.567501	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+2H"	43.041102
"189661"	357.15896	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na-H"	44.97116
"629588"	513.25286	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na-H"	44.97116
"1131711"	201.06506	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na-H"	44.97116
"173420"	179.083118	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na"	45.978436
"613627"	257.130068	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na"	45.978436
"1117621"	101.036168	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na"	45.978436
"1400171"	67.693204	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+2Na"	46.985712
"1431324"	203.106646	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+HCOOH"	47.012746
"221384"	184.11614	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H2O+2H"	56.04448
"1509321"	217.15869	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+H"	61.06479
"409013"	187.070088	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na+K"	61.952376
"771346"	265.117038	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na+K"	61.952376
"1666093"	109.023138	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+K"	61.952376
"251640"	376.203568	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+Na"	64.015768
"1229462"	220.109668	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+Na"	64.015768
"1718352"	220.133193	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+HCOOH"	64.039293
"1188079"	75.020518	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3Na"	68.967654
"1656879"	225.088588	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+HCOOH"	68.994688
"163740"	389.10684	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K-H"	76.91904
"604397"	545.20074	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K-H"	76.91904
"1090003"	233.01294	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K-H"	76.91904
"146817"	195.057058	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K"	77.926316
"583221"	273.104008	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K"	77.926316
"1069921"	117.010108	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K"	77.926316
"1100940"	235.027492	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K+H"	78.933592
"1337084"	235.115107	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+DMSO+H"	79.021207
"1012298"	239.154276	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+H"	83.060376
"1529329"	240.147908	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+Na+H"	84.054008
"994684"	120.080776	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+2H"	84.067652
"1594655"	241.062528	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+HCOOH"	84.968628
"1415212"	271.094038	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+CF3COOH"	115.000138
"1147687"	140.594051	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3ACN+2H"	125.094202
"1699426"	288.120585	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+CF3COOH"	132.026685
"1643462"	293.07598	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+CF3COOH"	136.98208
"1584581"	309.04992	"C14329"	"12-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+CF3COOH"	152.95602
"805106"	156.0939	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M"	0
"981918"	137.07551	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H2O-H"	-19.01839
"71254"	103.055324	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-3H"	-3.021828
"505347"	155.086624	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-3H"	-3.021828
"883149"	51.024024	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-3H"	-3.021828
"12667"	155.086624	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H"	-2.014552
"453324"	233.133574	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H"	-2.014552
"831127"	77.039674	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H"	-2.014552
"92215"	311.180524	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H"	-1.007276
"532868"	467.274424	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H"	-1.007276
"906297"	155.086624	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H"	-1.007276
"55207"	328.207071	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+NH4"	16.019271
"492578"	484.300971	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+NH4"	16.019271
"867828"	172.113171	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+NH4"	16.019271
"40468"	333.162466	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+Na"	20.974666
"477112"	489.256366	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+Na"	20.974666
"856736"	177.068566	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+Na"	20.974666
"1621894"	177.068566	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na-2H"	20.974666
"101702"	173.074963	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H+Cl"	33.962126
"542355"	251.121913	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H+Cl"	33.962126
"932592"	95.028013	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+Cl"	33.962126
"280995"	347.157202	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Cl"	34.969402
"671231"	503.251102	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Cl"	34.969402
"1279260"	191.063302	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl"	34.969402
"20723"	349.136406	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+K"	36.948606
"464663"	505.230306	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+K"	36.948606
"841370"	193.042506	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+K"	36.948606
"1561578"	193.042506	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K-2H"	36.948606
"947274"	201.092094	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+HCOOH"	44.998194
"362327"	357.186001	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+HCOOH-H"	44.998201
"346210"	371.201651	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Hac-H"	59.013851
"1493949"	215.107751	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Hac-H"	59.013851
"960398"	223.074051	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+NaCOOH"	66.980151
"110520"	191.063302	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Cl"	69.938804
"551052"	269.110252	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Cl"	69.938804
"1026294"	113.016352	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Cl"	69.938804
"1242468"	235.012785	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Br"	78.918885
"1310511"	237.068772	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+HCOOH"	80.974872
"1334571"	259.050729	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+NaCOOH"	102.956829
"924535"	269.079486	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+CF3COOH"	112.985586
"1300152"	305.056164	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+CF3COOH"	148.962264
"1372846"	121.081224	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-2H2O"	-35.012676
"1391436"	139.0912	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-H2O"	-17.0027
"287843"	313.195076	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H"	1.007276
"676492"	469.288976	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H"	1.007276
"1360990"	157.101176	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H"	1.007276
"136065"	157.101176	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2H"	2.014552
"578914"	235.148126	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2H"	2.014552
"1047710"	79.054226	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H"	2.014552
"214516"	105.069876	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H"	3.021828
"658451"	157.101176	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+3H"	3.021828
"1172201"	53.038576	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3H"	3.021828
"436566"	330.221623	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+NH4"	18.033823
"795375"	486.315523	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+NH4"	18.033823
"1689518"	174.127723	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4"	18.033823
"338891"	165.6144495	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+NH4"	19.041099
"728031"	243.6613995	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+NH4"	19.041099
"1484043"	87.5674995	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+NH4"	19.041099
"397255"	335.177018	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na"	22.989218
"763718"	491.270918	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na"	22.989218
"1614732"	179.083118	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na"	22.989218
"325137"	168.092147	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+Na"	23.996494
"717559"	246.139097	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+Na"	23.996494
"1467004"	90.045197	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+Na"	23.996494
"1063531"	60.36589	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H+Na"	25.00377
"1265211"	189.127386	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+CH3OH+H"	33.033486
"385973"	351.150958	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+K"	38.963158
"748790"	507.244858	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+K"	38.963158
"1543190"	195.057058	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K"	38.963158
"304012"	176.079117	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+K"	39.970434
"693515"	254.126067	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+K"	39.970434
"1447699"	98.032167	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+K"	39.970434
"237761"	354.221626	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+H"	42.033826
"1210026"	198.127726	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+H"	42.033826
"1197634"	99.567501	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+2H"	43.041102
"188999"	357.15896	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na-H"	44.97116
"629454"	513.25286	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na-H"	44.97116
"1132147"	201.06506	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na-H"	44.97116
"173250"	179.083118	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na"	45.978436
"613254"	257.130068	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na"	45.978436
"1116394"	101.036168	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na"	45.978436
"1399556"	67.693204	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+2Na"	46.985712
"1431193"	203.106646	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+HCOOH"	47.012746
"221979"	184.11614	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H2O+2H"	56.04448
"1510407"	217.15869	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+H"	61.06479
"410096"	187.070088	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na+K"	61.952376
"770847"	265.117038	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na+K"	61.952376
"1666446"	109.023138	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+K"	61.952376
"252479"	376.203568	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+Na"	64.015768
"1228476"	220.109668	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+Na"	64.015768
"1713354"	220.133193	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+HCOOH"	64.039293
"1188189"	75.020518	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3Na"	68.967654
"1661365"	225.088588	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+HCOOH"	68.994688
"167131"	389.10684	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K-H"	76.91904
"604507"	545.20074	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K-H"	76.91904
"1090113"	233.01294	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K-H"	76.91904
"150210"	195.057058	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K"	77.926316
"586490"	273.104008	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K"	77.926316
"1069661"	117.010108	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K"	77.926316
"1100929"	235.027492	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K+H"	78.933592
"1338776"	235.115107	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+DMSO+H"	79.021207
"1012410"	239.154276	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+H"	83.060376
"1529440"	240.147908	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+Na+H"	84.054008
"996983"	120.080776	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+2H"	84.067652
"1593671"	241.062528	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+HCOOH"	84.968628
"1418239"	271.094038	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+CF3COOH"	115.000138
"1151809"	140.594051	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3ACN+2H"	125.094202
"1699536"	288.120585	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+CF3COOH"	132.026685
"1635184"	293.07598	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+CF3COOH"	136.98208
"1584691"	309.04992	"C14330"	"26-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+CF3COOH"	152.95602
"811775"	142.0185	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M"	0
"982028"	123.00011	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-H2O-H"	-19.01839
"71364"	93.671724	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M-3H"	-3.021828
"504365"	141.011224	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M-3H"	-3.021828
"880708"	46.332224	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-3H"	-3.021828
"9497"	141.011224	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M-2H"	-2.014552
"453071"	212.020474	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M-2H"	-2.014552
"830147"	70.001974	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-2H"	-2.014552
"93299"	283.029724	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M-H"	-1.007276
"530795"	425.048224	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M-H"	-1.007276
"908473"	141.011224	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-H"	-1.007276
"48024"	300.056271	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M-2H+NH4"	16.019271
"487233"	442.074771	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M-2H+NH4"	16.019271
"865144"	158.037771	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-2H+NH4"	16.019271
"38756"	305.011666	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M-2H+Na"	20.974666
"480140"	447.030166	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M-2H+Na"	20.974666
"859035"	162.993166	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-2H+Na"	20.974666
"1626380"	162.993166	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Na-2H"	20.974666
"104002"	158.999563	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M-H+Cl"	33.962126
"541375"	230.008813	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M-H+Cl"	33.962126
"937078"	87.990313	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-H+Cl"	33.962126
"278919"	319.006402	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+Cl"	34.969402
"671340"	461.024902	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+Cl"	34.969402
"1279371"	176.987902	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Cl"	34.969402
"24116"	320.985606	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M-2H+K"	36.948606
"465866"	463.004106	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M-2H+K"	36.948606
"841480"	178.967106	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-2H+K"	36.948606
"1558407"	178.967106	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+K-2H"	36.948606
"944224"	187.016694	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-H+HCOOH"	44.998194
"361707"	329.035201	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+HCOOH-H"	44.998201
"345754"	343.050851	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+Hac-H"	59.013851
"1494061"	201.032351	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Hac-H"	59.013851
"960509"	208.998651	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-H+NaCOOH"	66.980151
"110549"	176.987902	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+2Cl"	69.938804
"550555"	247.997152	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+2Cl"	69.938804
"1024217"	105.978652	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2Cl"	69.938804
"1243796"	220.937385	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Br"	78.918885
"1310621"	222.993372	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Cl+HCOOH"	80.974872
"1334681"	244.975329	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Cl+NaCOOH"	102.956829
"925012"	255.004086	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M-H+CF3COOH"	112.985586
"1300262"	290.980764	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Cl+CF3COOH"	148.962264
"1381704"	107.005824	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H-2H2O"	-35.012676
"1391546"	125.0158	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H-H2O"	-17.0027
"287953"	285.044276	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+H"	1.007276
"675913"	427.062776	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+H"	1.007276
"1361100"	143.025776	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H"	1.007276
"137273"	143.025776	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+2H"	2.014552
"573552"	214.035026	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+2H"	2.014552
"1043445"	72.016526	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2H"	2.014552
"211345"	95.686276	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+3H"	3.021828
"649812"	143.025776	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+3H"	3.021828
"1178361"	48.346776	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+3H"	3.021828
"431208"	302.070823	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+NH4"	18.033823
"793297"	444.089323	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+NH4"	18.033823
"1688534"	160.052323	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+NH4"	18.033823
"334626"	151.5390495	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+H+NH4"	19.041099
"725954"	222.5482995	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+H+NH4"	19.041099
"1479777"	80.5297995	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H+NH4"	19.041099
"395299"	307.026218	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+Na"	22.989218
"760547"	449.044718	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+Na"	22.989218
"1605367"	165.007718	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Na"	22.989218
"317590"	154.016747	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+H+Na"	23.996494
"714387"	225.025997	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+H+Na"	23.996494
"1466021"	83.007497	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H+Na"	23.996494
"1058173"	55.67409	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2H+Na"	25.00377
"1268233"	175.051986	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+CH3OH+H"	33.033486
"384988"	323.000158	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+K"	38.963158
"741611"	465.018658	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+K"	38.963158
"1549132"	180.981658	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+K"	38.963158
"305216"	162.003717	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+H+K"	39.970434
"693629"	233.012967	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+H+K"	39.970434
"1448177"	90.994467	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H+K"	39.970434
"237509"	326.070826	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+ACN+H"	42.033826
"1210127"	184.052326	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+ACN+H"	42.033826
"1197381"	92.529801	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+ACN+2H"	43.041102
"188631"	329.00816	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+2Na-H"	44.97116
"628877"	471.02666	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+2Na-H"	44.97116
"1131366"	186.98966	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2Na-H"	44.97116
"173323"	165.007718	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+2Na"	45.978436
"613003"	236.016968	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+2Na"	45.978436
"1116752"	93.998468	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2Na"	45.978436
"1399180"	63.001404	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H+2Na"	46.985712
"1430934"	189.031246	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H+HCOOH"	47.012746
"220998"	170.04074	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+3H2O+2H"	56.04448
"1508468"	203.08329	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+IsoProp+H"	61.06479
"409478"	172.994688	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+Na+K"	61.952376
"773027"	244.003938	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+Na+K"	61.952376
"1670451"	101.985438	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Na+K"	61.952376
"254787"	348.052768	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+ACN+Na"	64.015768
"1225830"	206.034268	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+ACN+Na"	64.015768
"1713099"	206.057793	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+NH4+HCOOH"	64.039293
"1182833"	70.328718	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+3Na"	68.967654
"1652727"	211.013188	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Na+HCOOH"	68.994688
"159222"	360.95604	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+2K-H"	76.91904
"597931"	502.97454	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+2K-H"	76.91904
"1085361"	218.93754	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2K-H"	76.91904
"142176"	180.981658	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"2M+2K"	77.926316
"584416"	251.990908	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"3M+2K"	77.926316
"1068829"	109.972408	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2K"	77.926316
"1100069"	220.952092	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2K+H"	78.933592
"1336451"	221.039707	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+DMSO+H"	79.021207
"1006560"	225.078876	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2ACN+H"	83.060376
"1525662"	226.072508	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+IsoProp+Na+H"	84.054008
"990767"	113.043076	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+2ACN+2H"	84.067652
"1592689"	226.987128	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+K+HCOOH"	84.968628
"1418349"	257.018638	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+H+CF3COOH"	115.000138
"1156294"	133.556351	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+3ACN+2H"	125.094202
"1703657"	274.045185	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+NH4+CF3COOH"	132.026685
"1638214"	279.00058	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+Na+CF3COOH"	136.98208
"1584801"	294.97452	"C14331"	"4-Chloro-m-cresol;4-Chloro-3-methylphenol;Chlorocresol"	"C7H7ClO"	"142.0185"	"M+K+CF3COOH"	152.95602
"811886"	214.0888	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M"	0
"987604"	195.07041	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-H2O-H"	-19.01839
"77428"	141.718590666667	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M-3H"	-3.021828
"507025"	213.081524	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M-3H"	-3.021828
"882276"	70.3556573333333	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-3H"	-3.021828
"10701"	213.081524	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M-2H"	-2.014552
"453544"	320.125924	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M-2H"	-2.014552
"826977"	106.037124	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-2H"	-2.014552
"93046"	427.170324	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M-H"	-1.007276
"532484"	641.259124	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M-H"	-1.007276
"909680"	213.081524	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-H"	-1.007276
"49228"	444.196871	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M-2H+NH4"	16.019271
"488786"	658.285671	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M-2H+NH4"	16.019271
"868051"	230.108071	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-2H+NH4"	16.019271
"38504"	449.152266	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M-2H+Na"	20.974666
"481343"	663.241066	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M-2H+Na"	20.974666
"860969"	235.063466	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-2H+Na"	20.974666
"1631230"	235.063466	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Na-2H"	20.974666
"107030"	231.069863	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M-H+Cl"	33.962126
"541485"	338.114263	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M-H+Cl"	33.962126
"940471"	124.025463	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-H+Cl"	33.962126
"280123"	463.147002	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+Cl"	34.969402
"672541"	677.235802	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+Cl"	34.969402
"1282763"	249.058202	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Cl"	34.969402
"26413"	465.126206	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M-2H+K"	36.948606
"465978"	679.215006	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M-2H+K"	36.948606
"843777"	251.037406	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-2H+K"	36.948606
"1558518"	251.037406	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+K-2H"	36.948606
"946401"	259.086994	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-H+HCOOH"	44.998194
"361820"	473.175801	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+HCOOH-H"	44.998201
"346430"	487.191451	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+Hac-H"	59.013851
"1493684"	273.102651	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Hac-H"	59.013851
"960499"	281.068951	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-H+NaCOOH"	66.980151
"111592"	249.058202	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+2Cl"	69.938804
"553340"	356.102602	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+2Cl"	69.938804
"1024327"	142.013802	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2Cl"	69.938804
"1243906"	293.007685	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Br"	78.918885
"1307451"	295.063672	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Cl+HCOOH"	80.974872
"1332240"	317.045629	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Cl+NaCOOH"	102.956829
"922571"	327.074386	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M-H+CF3COOH"	112.985586
"1298185"	363.051064	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Cl+CF3COOH"	148.962264
"1380721"	179.076124	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H-2H2O"	-35.012676
"1389470"	197.0861	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H-H2O"	-17.0027
"293531"	429.184876	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+H"	1.007276
"681577"	643.273676	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+H"	1.007276
"1361210"	215.096076	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H"	1.007276
"139571"	215.096076	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+2H"	2.014552
"571475"	322.140476	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+2H"	2.014552
"1041368"	108.051676	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2H"	2.014552
"210362"	143.733142666667	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+3H"	3.021828
"649921"	215.096076	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+3H"	3.021828
"1177766"	72.3702093333333	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+3H"	3.021828
"432412"	446.211423	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+NH4"	18.033823
"792314"	660.300223	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+NH4"	18.033823
"1685364"	232.122623	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+NH4"	18.033823
"332550"	223.6093495	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+H+NH4"	19.041099
"725336"	330.6537495	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+H+NH4"	19.041099
"1477574"	116.5649495	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H+NH4"	19.041099
"400758"	451.166818	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+Na"	22.989218
"761752"	665.255618	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+Na"	22.989218
"1612041"	237.078018	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Na"	22.989218
"317702"	226.087047	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+H+Na"	23.996494
"713406"	333.131447	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+H+Na"	23.996494
"1467227"	119.042647	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H+Na"	23.996494
"1060472"	79.6975233333333	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2H+Na"	25.00377
"1265430"	247.122286	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+CH3OH+H"	33.033486
"381821"	467.140758	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+K"	38.963158
"740992"	681.229558	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+K"	38.963158
"1548149"	253.051958	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+K"	38.963158
"305327"	234.074017	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+H+K"	39.970434
"694467"	341.118417	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+H+K"	39.970434
"1451568"	127.029617	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H+K"	39.970434
"237618"	470.211426	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+ACN+H"	42.033826
"1210360"	256.122626	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+ACN+H"	42.033826
"1199314"	128.564951	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+ACN+2H"	43.041102
"188975"	473.14876	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+2Na-H"	44.97116
"629189"	687.23756	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+2Na-H"	44.97116
"1133057"	259.05996	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2Na-H"	44.97116
"174166"	237.078018	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+2Na"	45.978436
"614085"	344.122418	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+2Na"	45.978436
"1119046"	130.033618	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2Na"	45.978436
"1400020"	87.0248373333333	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H+2Na"	46.985712
"1430681"	261.101546	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H+HCOOH"	47.012746
"221471"	242.11104	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+3H2O+2H"	56.04448
"1509896"	275.15359	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+IsoProp+H"	61.06479
"409587"	245.064988	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+Na+K"	61.952376
"772408"	352.109388	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+Na+K"	61.952376
"1668374"	138.020588	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Na+K"	61.952376
"252709"	492.193368	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+ACN+Na"	64.015768
"1226021"	278.104568	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+ACN+Na"	64.015768
"1713364"	278.128093	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+NH4+HCOOH"	64.039293
"1178883"	94.3521513333333	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+3Na"	68.967654
"1650107"	283.083488	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Na+HCOOH"	68.994688
"157174"	505.09664	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+2K-H"	76.91904
"597304"	719.18544	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+2K-H"	76.91904
"1084237"	291.00784	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2K-H"	76.91904
"141547"	253.051958	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"2M+2K"	77.926316
"581481"	360.096358	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"3M+2K"	77.926316
"1068816"	146.007558	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2K"	77.926316
"1101620"	293.022392	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2K+H"	78.933592
"1335939"	293.110007	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+DMSO+H"	79.021207
"1005937"	297.149176	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2ACN+H"	83.060376
"1524334"	298.142808	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+IsoProp+Na+H"	84.054008
"990100"	149.078226	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+2ACN+2H"	84.067652
"1589883"	299.057428	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+K+HCOOH"	84.968628
"1417365"	329.088938	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+H+CF3COOH"	115.000138
"1149843"	169.591501	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+3ACN+2H"	125.094202
"1700486"	346.115485	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+NH4+CF3COOH"	132.026685
"1637231"	351.07088	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+Na+CF3COOH"	136.98208
"1578350"	367.04482	"C14332"	"Metribuzin"	"C8H14N4OS"	"214.0888"	"M+K+CF3COOH"	152.95602
"810902"	255.0218	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M"	0
"982247"	236.00341	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-H2O-H"	-19.01839
"70487"	169.007257333333	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M-3H"	-3.021828
"508961"	254.014524	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M-3H"	-3.021828
"883481"	83.9999906666667	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-3H"	-3.021828
"14092"	254.014524	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M-2H"	-2.014552
"454991"	381.525424	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M-2H"	-2.014552
"830853"	126.503624	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-2H"	-2.014552
"90359"	509.036324	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M-H"	-1.007276
"531377"	764.058124	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M-H"	-1.007276
"908087"	254.014524	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-H"	-1.007276
"48123"	526.062871	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M-2H+NH4"	16.019271
"489629"	781.084671	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M-2H+NH4"	16.019271
"866338"	271.041071	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-2H+NH4"	16.019271
"37521"	531.018266	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M-2H+Na"	20.974666
"480360"	786.040066	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M-2H+Na"	20.974666
"859256"	275.996466	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-2H+Na"	20.974666
"1628788"	275.996466	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Na-2H"	20.974666
"105318"	272.002863	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M-H+Cl"	33.962126
"541595"	399.513763	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M-H+Cl"	33.962126
"938759"	144.491963	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-H+Cl"	33.962126
"280233"	545.013002	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+Cl"	34.969402
"671558"	800.034802	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+Cl"	34.969402
"1282873"	289.991202	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Cl"	34.969402
"19962"	546.992206	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M-2H+K"	36.948606
"466088"	802.014006	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M-2H+K"	36.948606
"840607"	291.970406	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-2H+K"	36.948606
"1565189"	291.970406	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+K-2H"	36.948606
"946511"	300.019994	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-H+HCOOH"	44.998194
"369100"	555.041801	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+HCOOH-H"	44.998201
"347513"	569.057451	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+Hac-H"	59.013851
"1498533"	314.035651	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Hac-H"	59.013851
"963887"	322.001951	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-H+NaCOOH"	66.980151
"114981"	289.991202	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+2Cl"	69.938804
"555637"	417.502102	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+2Cl"	69.938804
"1025530"	162.480302	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2Cl"	69.938804
"1247296"	333.940685	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Br"	78.918885
"1307561"	335.996672	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Cl+HCOOH"	80.974872
"1332716"	357.978629	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Cl+NaCOOH"	102.956829
"924142"	368.007386	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M-H+CF3COOH"	112.985586
"1297201"	403.984064	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Cl+CF3COOH"	148.962264
"1373177"	220.009124	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H-2H2O"	-35.012676
"1387392"	238.0191	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H-H2O"	-17.0027
"293641"	511.050876	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+H"	1.007276
"683874"	766.072676	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+H"	1.007276
"1354755"	256.029076	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H"	1.007276
"136762"	256.029076	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+2H"	2.014552
"572679"	383.539976	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+2H"	2.014552
"1044759"	128.518176	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2H"	2.014552
"213752"	171.021809333333	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+3H"	3.021828
"652218"	256.029076	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+3H"	3.021828
"1176905"	86.0145426666667	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+3H"	3.021828
"430336"	528.077423	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+NH4"	18.033823
"790238"	783.099223	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+NH4"	18.033823
"1686567"	273.055623	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+NH4"	18.033823
"332660"	264.5423495	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+H+NH4"	19.041099
"724715"	392.0532495	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+H+NH4"	19.041099
"1477927"	137.0314495	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H+NH4"	19.041099
"394182"	533.032818	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+Na"	22.989218
"756395"	788.054618	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+Na"	22.989218
"1605588"	278.011018	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Na"	22.989218
"317812"	267.020047	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+H+Na"	23.996494
"713516"	394.530947	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+H+Na"	23.996494
"1464056"	139.509147	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H+Na"	23.996494
"1058393"	93.3418566666667	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2H+Na"	25.00377
"1263352"	288.055286	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+CH3OH+H"	33.033486
"383025"	549.006758	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+K"	38.963158
"745113"	804.028558	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+K"	38.963158
"1542061"	293.984958	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+K"	38.963158
"304707"	275.007017	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+H+K"	39.970434
"694940"	402.517917	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+H+K"	39.970434
"1448029"	147.496117	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H+K"	39.970434
"236389"	552.077426	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+ACN+H"	42.033826
"1210067"	297.055626	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+ACN+H"	42.033826
"1196508"	149.031451	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+ACN+2H"	43.041102
"190466"	555.01476	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+2Na-H"	44.97116
"630754"	810.03656	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+2Na-H"	44.97116
"1133531"	299.99296	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2Na-H"	44.97116
"174274"	278.011018	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+2Na"	45.978436
"614923"	405.521918	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+2Na"	45.978436
"1118429"	150.500118	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2Na"	45.978436
"1399764"	100.669170666667	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H+2Na"	46.985712
"1431518"	302.034546	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H+HCOOH"	47.012746
"221943"	283.04404	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+3H2O+2H"	56.04448
"1509641"	316.08659	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+IsoProp+H"	61.06479
"410058"	285.997988	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+Na+K"	61.952376
"773247"	413.508888	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+Na+K"	61.952376
"1670671"	158.487088	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Na+K"	61.952376
"252208"	574.059368	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+ACN+Na"	64.015768
"1226861"	319.037568	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+ACN+Na"	64.015768
"1713555"	319.061093	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+NH4+HCOOH"	64.039293
"1178988"	107.996484666667	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+3Na"	68.967654
"1650387"	324.016488	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Na+HCOOH"	68.994688
"157145"	586.96264	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+2K-H"	76.91904
"597331"	841.98444	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+2K-H"	76.91904
"1084771"	331.94084	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2K-H"	76.91904
"141737"	293.984958	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"2M+2K"	77.926316
"581665"	421.495858	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"3M+2K"	77.926316
"1068927"	166.474058	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2K"	77.926316
"1100556"	333.955392	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2K+H"	78.933592
"1335726"	334.043007	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+DMSO+H"	79.021207
"1006296"	338.082176	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2ACN+H"	83.060376
"1524905"	339.075808	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+IsoProp+Na+H"	84.054008
"990069"	169.544726	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+2ACN+2H"	84.067652
"1588534"	339.990428	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+K+HCOOH"	84.968628
"1417476"	370.021938	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+H+CF3COOH"	115.000138
"1149953"	190.058001	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+3ACN+2H"	125.094202
"1702783"	387.048485	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+NH4+CF3COOH"	132.026685
"1637341"	392.00388	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+Na+CF3COOH"	136.98208
"1585021"	407.97782	"C14333"	"Propyzamide;Pronamide;35-Dichloro-N-(11-dimethyl-2-propynyl)benzamide"	"C12H11Cl2NO"	"255.0218"	"M+K+CF3COOH"	152.95602
"805544"	209.1052	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M"	0
"976158"	190.08681	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-H2O-H"	-19.01839
"65493"	138.396190666667	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M-3H"	-3.021828
"506884"	208.097924	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M-3H"	-3.021828
"883955"	68.6944573333333	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-3H"	-3.021828
"14202"	208.097924	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M-2H"	-2.014552
"455507"	312.650524	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M-2H"	-2.014552
"832415"	103.545324	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-2H"	-2.014552
"93020"	417.203124	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M-H"	-1.007276
"533312"	626.308324	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M-H"	-1.007276
"909656"	208.097924	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-H"	-1.007276
"51639"	434.229671	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M-2H+NH4"	16.019271
"491928"	643.334871	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M-2H+NH4"	16.019271
"869365"	225.124471	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-2H+NH4"	16.019271
"42004"	439.185066	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M-2H+Na"	20.974666
"483750"	648.290266	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M-2H+Na"	20.974666
"860459"	230.079866	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-2H+Na"	20.974666
"1631450"	230.079866	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Na-2H"	20.974666
"103239"	226.086263	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M-H+Cl"	33.962126
"538425"	330.638863	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M-H+Cl"	33.962126
"940690"	121.533663	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-H+Cl"	33.962126
"281802"	453.179802	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+Cl"	34.969402
"674586"	662.285002	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+Cl"	34.969402
"1286263"	244.074602	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Cl"	34.969402
"24446"	455.159006	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M-2H+K"	36.948606
"464010"	664.264206	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M-2H+K"	36.948606
"836343"	246.053806	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-2H+K"	36.948606
"1563112"	246.053806	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+K-2H"	36.948606
"949901"	254.103394	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-H+HCOOH"	44.998194
"368116"	463.208601	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+HCOOH-H"	44.998201
"354189"	477.224251	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+Hac-H"	59.013851
"1499737"	268.119051	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Hac-H"	59.013851
"967279"	276.085351	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-H+NaCOOH"	66.980151
"124086"	244.074602	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+2Cl"	69.938804
"556841"	348.627202	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+2Cl"	69.938804
"1034997"	139.522002	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2Cl"	69.938804
"1250686"	288.024085	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Br"	78.918885
"1315326"	290.080072	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Cl+HCOOH"	80.974872
"1334163"	312.062029	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Cl+NaCOOH"	102.956829
"921699"	322.090786	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M-H+CF3COOH"	112.985586
"1303149"	358.067464	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Cl+CF3COOH"	148.962264
"1377299"	174.092524	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H-2H2O"	-35.012676
"1392970"	192.1025	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H-H2O"	-17.0027
"293751"	419.217676	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+H"	1.007276
"689453"	628.322876	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+H"	1.007276
"1365437"	210.112476	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H"	1.007276
"135409"	210.112476	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+2H"	2.014552
"578620"	314.665076	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+2H"	2.014552
"1048149"	105.559876	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2H"	2.014552
"217872"	140.410742666667	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+3H"	3.021828
"651238"	210.112476	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+3H"	3.021828
"1170455"	70.7090093333333	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+3H"	3.021828
"429352"	436.244223	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+NH4"	18.033823
"791442"	645.349423	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+NH4"	18.033823
"1685586"	227.139023	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+NH4"	18.033823
"333864"	218.6257495	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+H+NH4"	19.041099
"726650"	323.1783495	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+H+NH4"	19.041099
"1480472"	114.0731495	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H+NH4"	19.041099
"400977"	441.199618	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+Na"	22.989218
"761974"	650.304818	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+Na"	22.989218
"1610075"	232.094418	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Na"	22.989218
"320112"	221.103447	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+H+Na"	23.996494
"714720"	325.656047	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+H+Na"	23.996494
"1469637"	116.550847	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H+Na"	23.996494
"1060694"	78.0363233333333	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2H+Na"	25.00377
"1265653"	242.138686	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+CH3OH+H"	33.033486
"388603"	457.173558	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+K"	38.963158
"750692"	666.278758	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+K"	38.963158
"1548371"	248.068358	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+K"	38.963158
"305547"	229.090417	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+H+K"	39.970434
"697970"	333.643017	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+H+K"	39.970434
"1452884"	124.537817	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H+K"	39.970434
"246587"	460.244226	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+ACN+H"	42.033826
"1218569"	251.139026	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+ACN+H"	42.033826
"1201358"	126.073151	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+ACN+2H"	43.041102
"193134"	463.18156	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+2Na-H"	44.97116
"630019"	672.28676	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+2Na-H"	44.97116
"1133038"	254.07636	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2Na-H"	44.97116
"176212"	232.094418	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+2Na"	45.978436
"615765"	336.647018	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+2Na"	45.978436
"1117934"	127.541818	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2Na"	45.978436
"1401335"	85.3636373333333	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H+2Na"	46.985712
"1431145"	256.117946	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H+HCOOH"	47.012746
"221203"	237.12744	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+3H2O+2H"	56.04448
"1509755"	270.16999	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+IsoProp+H"	61.06479
"412362"	240.081388	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+Na+K"	61.952376
"777002"	344.633988	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+Na+K"	61.952376
"1674062"	135.528788	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Na+K"	61.952376
"259492"	482.226168	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+ACN+Na"	64.015768
"1230014"	273.120968	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+ACN+Na"	64.015768
"1717444"	273.144493	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+NH4+HCOOH"	64.039293
"1180734"	92.6909513333333	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+3Na"	68.967654
"1652329"	278.099888	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Na+HCOOH"	68.994688
"161015"	495.12944	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+2K-H"	76.91904
"601669"	704.23464	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+2K-H"	76.91904
"1088369"	286.02424	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2K-H"	76.91904
"146279"	248.068358	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"2M+2K"	77.926316
"586935"	352.620958	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"3M+2K"	77.926316
"1071447"	143.515758	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2K"	77.926316
"1104658"	288.038792	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2K+H"	78.933592
"1341040"	288.126407	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+DMSO+H"	79.021207
"1010663"	292.165576	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2ACN+H"	83.060376
"1527694"	293.159208	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+IsoProp+Na+H"	84.054008
"990983"	146.586426	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+2ACN+2H"	84.067652
"1590834"	294.073828	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+K+HCOOH"	84.968628
"1420867"	324.105338	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+H+CF3COOH"	115.000138
"1155531"	167.099701	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+3ACN+2H"	125.094202
"1708361"	341.131885	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+NH4+CF3COOH"	132.026685
"1640731"	346.08728	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+Na+CF3COOH"	136.98208
"1585131"	362.06122	"C14334"	"Propoxur;Aprocarb;2-Isopropoxyphenyl N-methylcarbamate"	"C11H15NO3"	"209.1052"	"M+K+CF3COOH"	152.95602
"808934"	202.0783	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M"	0
"980278"	183.05991	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-H2O-H"	-19.01839
"66333"	133.711590666667	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M-3H"	-3.021828
"508087"	201.071024	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M-3H"	-3.021828
"883701"	66.3521573333333	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-3H"	-3.021828
"14313"	201.071024	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M-2H"	-2.014552
"451685"	302.110174	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M-2H"	-2.014552
"828392"	100.031874	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-2H"	-2.014552
"94184"	403.149324	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M-H"	-1.007276
"533171"	605.227624	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M-H"	-1.007276
"907933"	201.071024	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-H"	-1.007276
"62749"	420.175871	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M-2H+NH4"	16.019271
"502729"	622.254171	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M-2H+NH4"	16.019271
"879076"	218.097571	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-2H+NH4"	16.019271
"46939"	425.131266	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M-2H+Na"	20.974666
"486536"	627.209566	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M-2H+Na"	20.974666
"864208"	223.052966	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-2H+Na"	20.974666
"1631561"	223.052966	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Na-2H"	20.974666
"107361"	219.059363	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M-H+Cl"	33.962126
"541816"	320.098513	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M-H+Cl"	33.962126
"942139"	118.020213	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-H+Cl"	33.962126
"282441"	439.126002	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+Cl"	34.969402
"675514"	641.204302	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+Cl"	34.969402
"1283090"	237.047702	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Cl"	34.969402
"31039"	441.105206	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M-2H+K"	36.948606
"471211"	643.183506	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M-2H+K"	36.948606
"839734"	239.026906	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-2H+K"	36.948606
"1565409"	239.026906	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+K-2H"	36.948606
"953291"	247.076494	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-H+HCOOH"	44.998194
"373694"	449.154801	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+HCOOH-H"	44.998201
"358673"	463.170451	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+Hac-H"	59.013851
"1502037"	261.092151	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Hac-H"	59.013851
"972858"	269.058451	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-H+NaCOOH"	66.980151
"120670"	237.047702	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+2Cl"	69.938804
"565342"	338.086852	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+2Cl"	69.938804
"1032316"	136.008552	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2Cl"	69.938804
"1250801"	280.997185	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Br"	78.918885
"1319091"	283.053172	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Cl+HCOOH"	80.974872
"1334401"	305.035129	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Cl+NaCOOH"	102.956829
"926190"	315.063886	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M-H+CF3COOH"	112.985586
"1302168"	351.040564	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Cl+CF3COOH"	148.962264
"1380330"	167.065624	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H-2H2O"	-35.012676
"1397094"	185.0756	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H-H2O"	-17.0027
"293862"	405.163876	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+H"	1.007276
"688474"	607.242176	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+H"	1.007276
"1362997"	203.085576	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H"	1.007276
"135519"	203.085576	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+2H"	2.014552
"580195"	304.124726	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+2H"	2.014552
"1051910"	102.046426	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2H"	2.014552
"217985"	135.726142666667	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+3H"	3.021828
"655723"	203.085576	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+3H"	3.021828
"1172755"	68.3667093333333	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+3H"	3.021828
"432746"	422.190423	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+NH4"	18.033823
"791554"	624.268723	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+NH4"	18.033823
"1690073"	220.112123	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+NH4"	18.033823
"339445"	211.5988495	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+H+NH4"	19.041099
"729679"	312.6379995	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+H+NH4"	19.041099
"1488968"	110.5596995	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H+NH4"	19.041099
"404368"	427.145818	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+Na"	22.989218
"767551"	629.224118	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+Na"	22.989218
"1613466"	225.067518	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Na"	22.989218
"326421"	214.076547	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+H+Na"	23.996494
"718111"	315.115697	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+H+Na"	23.996494
"1473027"	113.037397	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H+Na"	23.996494
"1065178"	75.6940233333333	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2H+Na"	25.00377
"1269044"	235.111786	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+CH3OH+H"	33.033486
"389805"	443.119758	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+K"	38.963158
"751532"	645.198058	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+K"	38.963158
"1549575"	241.041458	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+K"	38.963158
"308937"	222.063517	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+H+K"	39.970434
"701359"	323.102667	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+H+K"	39.970434
"1451902"	121.024367	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H+K"	39.970434
"245972"	446.190426	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+ACN+H"	42.033826
"1219775"	244.112126	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+ACN+H"	42.033826
"1203656"	122.559701	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+ACN+2H"	43.041102
"195068"	449.12776	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+2Na-H"	44.97116
"633536"	651.20606	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+2Na-H"	44.97116
"1134490"	247.04946	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2Na-H"	44.97116
"174256"	225.067518	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+2Na"	45.978436
"615025"	326.106668	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+2Na"	45.978436
"1117679"	124.028368	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2Na"	45.978436
"1400230"	83.0213373333333	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H+2Na"	46.985712
"1431743"	249.091046	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H+HCOOH"	47.012746
"221074"	230.10054	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+3H2O+2H"	56.04448
"1510960"	263.14309	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+IsoProp+H"	61.06479
"415755"	233.054488	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+Na+K"	61.952376
"774925"	334.093638	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+Na+K"	61.952376
"1676358"	132.015338	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Na+K"	61.952376
"261787"	468.172368	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+ACN+Na"	64.015768
"1232312"	266.094068	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+ACN+Na"	64.015768
"1719013"	266.117593	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+NH4+HCOOH"	64.039293
"1188742"	90.3486513333333	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+3Na"	68.967654
"1661916"	271.072988	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Na+HCOOH"	68.994688
"167686"	481.07564	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+2K-H"	76.91904
"602873"	683.15394	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+2K-H"	76.91904
"1088482"	278.99734	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2K-H"	76.91904
"144203"	241.041458	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"2M+2K"	77.926316
"584857"	342.080608	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"3M+2K"	77.926316
"1074837"	140.002308	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2K"	77.926316
"1106953"	281.011892	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2K+H"	78.933592
"1341151"	281.099507	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+DMSO+H"	79.021207
"1015147"	285.138676	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2ACN+H"	83.060376
"1535458"	286.132308	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+IsoProp+Na+H"	84.054008
"995347"	143.072976	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+2ACN+2H"	84.067652
"1595317"	287.046928	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+K+HCOOH"	84.968628
"1424257"	317.078438	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+H+CF3COOH"	115.000138
"1153454"	163.586251	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+3ACN+2H"	125.094202
"1705191"	334.104985	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+NH4+CF3COOH"	132.026685
"1640841"	339.06038	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+Na+CF3COOH"	136.98208
"1585241"	355.03432	"C14335"	"Pyrene"	"C16H10"	"202.0783"	"M+K+CF3COOH"	152.95602
"805764"	233.8447	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M"	0
"978201"	214.82631	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-H2O-H"	-19.01839
"64256"	154.889190666667	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M-3H"	-3.021828
"509289"	232.837424	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M-3H"	-3.021828
"883809"	76.9409573333333	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-3H"	-3.021828
"15031"	232.837424	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M-2H"	-2.014552
"451795"	349.759774	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M-2H"	-2.014552
"829595"	115.915074	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-2H"	-2.014552
"86304"	466.682124	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M-H"	-1.007276
"525863"	700.526824	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M-H"	-1.007276
"902570"	232.837424	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-H"	-1.007276
"60232"	483.708671	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M-2H+NH4"	16.019271
"501746"	717.553371	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M-2H+NH4"	16.019271
"871045"	249.863971	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-2H+NH4"	16.019271
"40038"	488.664066	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M-2H+Na"	20.974666
"482879"	722.508766	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M-2H+Na"	20.974666
"861409"	254.819366	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-2H+Na"	20.974666
"1628023"	254.819366	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Na-2H"	20.974666
"105283"	250.825763	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M-H+Cl"	33.962126
"543019"	367.748113	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M-H+Cl"	33.962126
"938722"	133.903413	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-H+Cl"	33.962126
"280560"	502.658802	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+Cl"	34.969402
"674565"	736.503502	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+Cl"	34.969402
"1279920"	268.814102	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Cl"	34.969402
"29770"	504.638006	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M-2H+K"	36.948606
"467509"	738.482706	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M-2H+K"	36.948606
"839844"	270.793306	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-2H+K"	36.948606
"1563332"	270.793306	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+K-2H"	36.948606
"949027"	278.842894	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-H+HCOOH"	44.998194
"372712"	512.687601	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+HCOOH-H"	44.998201
"361282"	526.703251	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+Hac-H"	59.013851
"1499959"	292.858551	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Hac-H"	59.013851
"967499"	300.824851	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-H+NaCOOH"	66.980151
"119686"	268.814102	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+2Cl"	69.938804
"564600"	385.736452	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+2Cl"	69.938804
"1032426"	151.891752	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2Cl"	69.938804
"1252004"	312.763585	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Br"	78.918885
"1319444"	314.819572	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Cl+HCOOH"	80.974872
"1334999"	336.801529	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Cl+NaCOOH"	102.956829
"924842"	346.830286	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M-H+CF3COOH"	112.985586
"1302642"	382.806964	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Cl+CF3COOH"	148.962264
"1381654"	198.832024	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H-2H2O"	-35.012676
"1397932"	216.842	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H-H2O"	-17.0027
"291785"	468.696676	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+H"	1.007276
"690771"	702.541376	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+H"	1.007276
"1363108"	234.851976	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H"	1.007276
"138182"	234.851976	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+2H"	2.014552
"573002"	351.774326	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+2H"	2.014552
"1041804"	117.929626	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2H"	2.014552
"219314"	156.903742666667	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+3H"	3.021828
"655834"	234.851976	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+3H"	3.021828
"1176147"	78.9555093333333	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+3H"	3.021828
"431763"	485.723223	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+NH4"	18.033823
"796039"	719.567923	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+NH4"	18.033823
"1690184"	251.878523	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+NH4"	18.033823
"342835"	243.3652495	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+H+NH4"	19.041099
"729789"	360.2875995	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+H+NH4"	19.041099
"1487985"	126.4428995	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H+NH4"	19.041099
"404479"	490.678618	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+Na"	22.989218
"766568"	724.523318	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+Na"	22.989218
"1614669"	256.833918	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Na"	22.989218
"327989"	245.842947	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+H+Na"	23.996494
"718221"	362.765297	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+H+Na"	23.996494
"1473137"	128.920597	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H+Na"	23.996494
"1066381"	86.2828233333333	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2H+Na"	25.00377
"1269154"	266.878186	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+CH3OH+H"	33.033486
"389915"	506.652558	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+K"	38.963158
"750913"	740.497258	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+K"	38.963158
"1550779"	272.807858	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+K"	38.963158
"310141"	253.829917	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+H+K"	39.970434
"701471"	370.752267	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+H+K"	39.970434
"1454199"	136.907567	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H+K"	39.970434
"246083"	509.723226	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+ACN+H"	42.033826
"1223165"	275.878526	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+ACN+H"	42.033826
"1202673"	138.442901	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+ACN+2H"	43.041102
"192990"	512.66056	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+2Na-H"	44.97116
"635106"	746.50526	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+2Na-H"	44.97116
"1133995"	278.81586	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2Na-H"	44.97116
"174489"	256.833918	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+2Na"	45.978436
"615262"	373.756268	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+2Na"	45.978436
"1120224"	139.911568	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2Na"	45.978436
"1400584"	93.6101373333333	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H+2Na"	46.985712
"1434041"	280.857446	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H+HCOOH"	47.012746
"220942"	261.86694	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+3H2O+2H"	56.04448
"1513624"	294.90949	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+IsoProp+H"	61.06479
"412585"	264.820888	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+Na+K"	61.952376
"777954"	381.743238	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+Na+K"	61.952376
"1677563"	147.898538	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Na+K"	61.952376
"260805"	531.705168	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+ACN+Na"	64.015768
"1231694"	297.860468	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+ACN+Na"	64.015768
"1717301"	297.883993	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+NH4+HCOOH"	64.039293
"1185573"	100.937451333333	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+3Na"	68.967654
"1659840"	302.839388	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Na+HCOOH"	68.994688
"166703"	544.60844	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+2K-H"	76.91904
"605171"	778.45314	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+2K-H"	76.91904
"1090777"	310.76374	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2K-H"	76.91904
"149781"	272.807858	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"2M+2K"	77.926316
"589341"	389.730208	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"3M+2K"	77.926316
"1076042"	155.885508	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2K"	77.926316
"1108157"	312.778292	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2K+H"	78.933592
"1342355"	312.865907	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+DMSO+H"	79.021207
"1017443"	316.905076	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2ACN+H"	83.060376
"1535568"	317.898708	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+IsoProp+Na+H"	84.054008
"995457"	158.956176	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+2ACN+2H"	84.067652
"1595427"	318.813328	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+K+HCOOH"	84.968628
"1421087"	348.844838	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+H+CF3COOH"	115.000138
"1154657"	179.469451	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+3ACN+2H"	125.094202
"1708582"	365.871385	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+NH4+CF3COOH"	132.026685
"1646419"	370.82678	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+Na+CF3COOH"	136.98208
"1585351"	386.80072	"C14336"	"12-Dibromo-3-chloropropane;DBCP"	"C3H5Br2Cl"	"233.8447"	"M+K+CF3COOH"	152.95602
"804780"	302.1882	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M"	0
"978311"	283.16981	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"64486"	200.451524	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"507211"	301.180924	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"886104"	99.722124	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"15229"	301.180924	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"454580"	452.275024	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"830798"	150.086824	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"86414"	603.369124	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"527065"	905.557324	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"901586"	301.180924	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"61313"	620.395671	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"501730"	922.583871	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"869694"	318.207471	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"39054"	625.351066	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"482989"	927.539266	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"858967"	323.162866	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1628863"	323.162866	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"105756"	319.169263	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"540942"	470.263363	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"940413"	168.075163	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"280431"	639.345802	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"673216"	941.534002	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1277842"	337.157602	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"22590"	641.325006	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"464339"	943.513206	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"838860"	339.136806	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1565630"	339.136806	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"952418"	347.186394	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"375009"	649.374601	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"359987"	663.390251	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1500069"	361.202051	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"964328"	369.168351	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"118702"	337.157602	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"565034"	488.251702	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1031442"	186.063502	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1251021"	381.107085	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1319550"	383.163072	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1334864"	405.145029	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"926411"	415.173786	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1303479"	451.150464	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1382249"	267.175524	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1397314"	285.1855	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"288615"	605.383676	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"687598"	907.571876	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1363946"	303.195476	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"133554"	303.195476	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"574205"	454.289576	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1048475"	152.101376	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"217843"	202.466076	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"650476"	303.195476	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1172976"	101.736676	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"430779"	622.410223	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"791775"	924.598423	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1691387"	320.222023	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"338572"	311.7087495	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"730992"	462.8028495	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1487731"	160.6146495	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"403860"	627.365618	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"765586"	929.553818	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1616848"	325.177418	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"326643"	314.186447	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"719424"	465.280547	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1473614"	163.092347	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1065643"	109.06399	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1267079"	335.221686	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"388206"	643.339558	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"745560"	945.527758	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1545425"	341.151358	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"302602"	322.173417	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"695386"	473.267517	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1452124"	171.079317	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"244006"	646.410226	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1218901"	344.222026	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1202783"	172.614651	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"191278"	649.34756	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"628849"	951.53576	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1134350"	347.15936	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"177641"	325.177418	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"615726"	476.271518	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1117776"	174.083318	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1400934"	116.391304	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1432690"	349.200946	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"222878"	330.21044	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1514099"	363.25299	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"411961"	333.164388	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"775143"	484.258488	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1670380"	182.070288	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"260914"	668.392168	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1235814"	366.203968	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1717411"	366.227493	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1186776"	123.718618	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1659950"	371.182888	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"169000"	681.29544	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"606374"	983.48364	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1090888"	379.10724	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"147705"	341.151358	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"587265"	492.245458	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1073965"	190.057258	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1106081"	381.121792	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1343557"	381.209407	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1015367"	385.248576	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1534585"	386.242208	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"996660"	193.127926	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1597724"	387.156828	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1422290"	417.188338	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1155860"	213.641201	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1709786"	434.214885	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1644342"	439.17028	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1585461"	455.14422	"C14337"	"Bioallethrin;Allethrin;Pynamin"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"803797"	292.8372	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M"	0
"975141"	273.81881	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-H2O-H"	-19.01839
"64474"	194.217524	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M-3H"	-3.021828
"506229"	291.829924	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M-3H"	-3.021828
"881113"	96.605124	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-3H"	-3.021828
"15129"	291.829924	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M-2H"	-2.014552
"452014"	438.248524	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M-2H"	-2.014552
"831759"	145.411324	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-2H"	-2.014552
"87617"	584.667124	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M-H"	-1.007276
"523895"	877.504324	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M-H"	-1.007276
"899509"	291.829924	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-H"	-1.007276
"60450"	601.693671	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M-2H+NH4"	16.019271
"501107"	894.530871	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M-2H+NH4"	16.019271
"878552"	308.856471	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-2H+NH4"	16.019271
"41716"	606.649066	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M-2H+Na"	20.974666
"483099"	899.486266	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M-2H+Na"	20.974666
"858713"	313.811866	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-2H+Na"	20.974666
"1631889"	313.811866	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Na-2H"	20.974666
"105866"	309.818263	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M-H+Cl"	33.962126
"541052"	456.236863	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M-H+Cl"	33.962126
"940767"	163.399663	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-H+Cl"	33.962126
"280053"	620.643802	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+Cl"	34.969402
"673206"	913.481002	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+Cl"	34.969402
"1274672"	327.806602	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Cl"	34.969402
"20514"	622.623006	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M-2H+K"	36.948606
"464449"	915.460206	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M-2H+K"	36.948606
"834597"	329.785806	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-2H+K"	36.948606
"1559178"	329.785806	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+K-2H"	36.948606
"952528"	337.835394	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-H+HCOOH"	44.998194
"374025"	630.672601	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+HCOOH-H"	44.998201
"357910"	644.688251	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+Hac-H"	59.013851
"1501272"	351.851051	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Hac-H"	59.013851
"962251"	359.817351	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-H+NaCOOH"	66.980151
"116625"	327.806602	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+2Cl"	69.938804
"565645"	474.225202	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+2Cl"	69.938804
"1031552"	181.388002	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2Cl"	69.938804
"1251131"	371.756085	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Br"	78.918885
"1319618"	373.812072	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Cl+HCOOH"	80.974872
"1331079"	395.794029	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Cl+NaCOOH"	102.956829
"926152"	405.822786	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M-H+CF3COOH"	112.985586
"1302493"	441.799464	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Cl+CF3COOH"	148.962264
"1382237"	257.824524	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H-2H2O"	-35.012676
"1398031"	275.8345	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H-H2O"	-17.0027
"288725"	586.681676	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+H"	1.007276
"688436"	879.518876	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+H"	1.007276
"1361868"	293.844476	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H"	1.007276
"132570"	293.844476	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+2H"	2.014552
"572129"	440.263076	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+2H"	2.014552
"1046398"	147.425876	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2H"	2.014552
"217952"	196.232076	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+3H"	3.021828
"653866"	293.844476	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+3H"	3.021828
"1174909"	98.619676	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+3H"	3.021828
"427244"	603.708223	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+NH4"	18.033823
"788969"	896.545423	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+NH4"	18.033823
"1688216"	310.871023	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+NH4"	18.033823
"335401"	302.3577495	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+H+NH4"	19.041099
"728186"	448.7763495	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+H+NH4"	19.041099
"1484925"	155.9391495	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H+NH4"	19.041099
"405793"	608.663618	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+Na"	22.989218
"768738"	901.500818	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+Na"	22.989218
"1616838"	315.826418	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Na"	22.989218
"328941"	304.835447	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+H+Na"	23.996494
"719173"	451.254047	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+H+Na"	23.996494
"1474451"	158.416847	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H+Na"	23.996494
"1066239"	105.94699	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2H+Na"	25.00377
"1268283"	325.870686	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+CH3OH+H"	33.033486
"387587"	624.637558	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+K"	38.963158
"746763"	917.474758	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+K"	38.963158
"1545535"	331.800358	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+K"	38.963158
"302712"	312.822417	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+H+K"	39.970434
"696227"	459.241017	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+H+K"	39.970434
"1454421"	166.403817	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H+K"	39.970434
"246303"	627.708226	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+ACN+H"	42.033826
"1219011"	334.871026	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+ACN+H"	42.033826
"1205079"	167.939151	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+ACN+2H"	43.041102
"188994"	630.64556	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+2Na-H"	44.97116
"631316"	923.48276	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+2Na-H"	44.97116
"1137740"	337.80836	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2Na-H"	44.97116
"182126"	315.826418	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+2Na"	45.978436
"615108"	462.245018	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+2Na"	45.978436
"1117519"	169.407818	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2Na"	45.978436
"1399954"	113.274304	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H+2Na"	46.985712
"1431708"	339.849946	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H+HCOOH"	47.012746
"220675"	320.85944	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+3H2O+2H"	56.04448
"1513116"	353.90199	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+IsoProp+H"	61.06479
"412072"	323.813388	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+Na+K"	61.952376
"774161"	470.231988	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+Na+K"	61.952376
"1668668"	177.394788	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Na+K"	61.952376
"261024"	649.690168	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+ACN+Na"	64.015768
"1231549"	356.852968	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+ACN+Na"	64.015768
"1715697"	356.876493	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+NH4+HCOOH"	64.039293
"1181418"	120.601618	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+3Na"	68.967654
"1658966"	361.831888	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Na+HCOOH"	68.994688
"169110"	662.59344	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+2K-H"	76.91904
"607578"	955.43064	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+2K-H"	76.91904
"1095371"	369.75624	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2K-H"	76.91904
"154374"	331.800358	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"2M+2K"	77.926316
"588469"	478.218958	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"3M+2K"	77.926316
"1075169"	185.381758	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2K"	77.926316
"1107285"	371.770792	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2K+H"	78.933592
"1341481"	371.858407	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+DMSO+H"	79.021207
"1014383"	375.897576	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2ACN+H"	83.060376
"1536882"	376.891208	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+IsoProp+Na+H"	84.054008
"998957"	188.452426	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+2ACN+2H"	84.067652
"1596740"	377.805828	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+K+HCOOH"	84.968628
"1422400"	407.837338	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+H+CF3COOH"	115.000138
"1152690"	208.965701	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+3ACN+2H"	125.094202
"1709532"	424.863885	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+NH4+CF3COOH"	132.026685
"1644452"	429.81928	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+Na+CF3COOH"	136.98208
"1585571"	445.79322	"C14338"	"Quintozene;Pentachloronitrobenzene;PCNB"	"C6Cl5NO2"	"292.8372"	"M+K+CF3COOH"	152.95602
"806094"	256.1463	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M"	0
"978531"	237.12791	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-H2O-H"	-19.01839
"63856"	169.756924	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M-3H"	-3.021828
"506339"	255.139024	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M-3H"	-3.021828
"884138"	84.374824	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-3H"	-3.021828
"15075"	255.139024	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M-2H"	-2.014552
"453826"	383.212174	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M-2H"	-2.014552
"831508"	127.065874	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-2H"	-2.014552
"88820"	511.285324	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M-H"	-1.007276
"524005"	767.431624	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M-H"	-1.007276
"897066"	255.139024	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-H"	-1.007276
"47666"	528.311871	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M-2H+NH4"	16.019271
"488078"	784.458171	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M-2H+NH4"	16.019271
"879762"	272.165571	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-2H+NH4"	16.019271
"46852"	533.267266	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M-2H+Na"	20.974666
"485519"	789.413566	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M-2H+Na"	20.974666
"862955"	277.120966	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-2H+Na"	20.974666
"1632971"	277.120966	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Na-2H"	20.974666
"106705"	273.127363	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M-H+Cl"	33.962126
"541162"	401.200513	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M-H+Cl"	33.962126
"941848"	145.054213	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-H+Cl"	33.962126
"281866"	547.262002	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+Cl"	34.969402
"675138"	803.408302	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+Cl"	34.969402
"1275875"	291.115702	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Cl"	34.969402
"27184"	549.241206	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M-2H+K"	36.948606
"467839"	805.387506	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M-2H+K"	36.948606
"840174"	293.094906	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-2H+K"	36.948606
"1561475"	293.094906	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+K-2H"	36.948606
"949357"	301.144494	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-H+HCOOH"	44.998194
"376080"	557.290801	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+HCOOH-H"	44.998201
"360086"	571.306451	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+Hac-H"	59.013851
"1504662"	315.160151	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Hac-H"	59.013851
"966735"	323.126451	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-H+NaCOOH"	66.980151
"116735"	291.115702	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+2Cl"	69.938804
"564929"	419.188852	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+2Cl"	69.938804
"1033849"	163.042552	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2Cl"	69.938804
"1254521"	335.065185	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Br"	78.918885
"1319653"	337.121172	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Cl+HCOOH"	80.974872
"1335130"	359.103129	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Cl+NaCOOH"	102.956829
"926631"	369.131886	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M-H+CF3COOH"	112.985586
"1302975"	405.108564	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Cl+CF3COOH"	148.962264
"1381497"	221.133624	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H-2H2O"	-35.012676
"1396805"	239.1436	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H-H2O"	-17.0027
"292115"	513.299876	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+H"	1.007276
"686723"	769.446176	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+H"	1.007276
"1363438"	257.153576	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H"	1.007276
"137055"	257.153576	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+2H"	2.014552
"573332"	385.226726	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+2H"	2.014552
"1049788"	129.080426	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2H"	2.014552
"208941"	171.771476	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+3H"	3.021828
"658715"	257.153576	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+3H"	3.021828
"1165903"	86.389376	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+3H"	3.021828
"428813"	530.326423	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+NH4"	18.033823
"790901"	786.472723	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+NH4"	18.033823
"1684316"	274.180123	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+NH4"	18.033823
"338792"	265.6668495	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+H+NH4"	19.041099
"727932"	393.7399995	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+H+NH4"	19.041099
"1486128"	137.5936995	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H+NH4"	19.041099
"401528"	535.281818	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+Na"	22.989218
"763615"	791.428118	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+Na"	22.989218
"1611714"	279.135518	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Na"	22.989218
"329657"	268.144547	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+H+Na"	23.996494
"720373"	396.217697	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+H+Na"	23.996494
"1472371"	140.071397	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H+Na"	23.996494
"1063427"	93.71669	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2H+Na"	25.00377
"1268388"	289.179786	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+CH3OH+H"	33.033486
"389150"	551.255758	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+K"	38.963158
"751609"	807.402058	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+K"	38.963158
"1552933"	295.109458	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+K"	38.963158
"309382"	276.131517	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+H+K"	39.970434
"703624"	404.204667	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+H+K"	39.970434
"1456717"	148.058367	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H+K"	39.970434
"248598"	554.326426	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+ACN+H"	42.033826
"1220212"	298.180126	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+ACN+H"	42.033826
"1205189"	149.593701	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+ACN+2H"	43.041102
"192229"	557.26376	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+2Na-H"	44.97116
"632155"	813.41006	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+2Na-H"	44.97116
"1137849"	301.11746	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2Na-H"	44.97116
"182236"	279.135518	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+2Na"	45.978436
"616322"	407.208668	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+2Na"	45.978436
"1117999"	151.062368	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2Na"	45.978436
"1401887"	101.044004	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H+2Na"	46.985712
"1432185"	303.159046	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H+HCOOH"	47.012746
"224072"	284.16854	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+3H2O+2H"	56.04448
"1512133"	317.21109	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+IsoProp+H"	61.06479
"416195"	287.122488	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+Na+K"	61.952376
"775002"	415.195638	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+Na+K"	61.952376
"1669509"	159.049338	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Na+K"	61.952376
"261134"	576.308368	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+ACN+Na"	64.015768
"1231659"	320.162068	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+ACN+Na"	64.015768
"1719453"	320.185593	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+NH4+HCOOH"	64.039293
"1184808"	108.371318	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+3Na"	68.967654
"1662356"	325.140988	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Na+HCOOH"	68.994688
"171652"	589.21164	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+2K-H"	76.91904
"610605"	845.35794	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+2K-H"	76.91904
"1097670"	333.06534	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2K-H"	76.91904
"155578"	295.109458	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"2M+2K"	77.926316
"591859"	423.182608	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"3M+2K"	77.926316
"1077466"	167.036308	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2K"	77.926316
"1106301"	335.079892	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2K+H"	78.933592
"1342685"	335.167507	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+DMSO+H"	79.021207
"1016681"	339.206676	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2ACN+H"	83.060376
"1536871"	340.200308	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+IsoProp+Na+H"	84.054008
"999067"	170.106976	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+2ACN+2H"	84.067652
"1600131"	341.114928	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+K+HCOOH"	84.968628
"1421416"	371.146438	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+H+CF3COOH"	115.000138
"1157174"	190.620251	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+3ACN+2H"	125.094202
"1709642"	388.172985	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+NH4+CF3COOH"	132.026685
"1644562"	393.12838	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+Na+CF3COOH"	136.98208
"1585681"	409.10232	"C14339"	"33-Dimethylbisphenol A;22-Bis(4-hydroxy-3-methylphenyl)propane"	"C17H20O2"	"256.1463"	"M+K+CF3COOH"	152.95602
"806204"	198.1045	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M"	0
"977548"	179.08611	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-H2O-H"	-19.01839
"63963"	131.062390666667	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M-3H"	-3.021828
"507542"	197.097224	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M-3H"	-3.021828
"882790"	65.0275573333333	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-3H"	-3.021828
"13402"	197.097224	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M-2H"	-2.014552
"451141"	296.149474	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M-2H"	-2.014552
"831128"	98.044974	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-2H"	-2.014552
"88930"	395.201724	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M-H"	-1.007276
"523022"	593.306224	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M-H"	-1.007276
"897905"	197.097224	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-H"	-1.007276
"47412"	412.228271	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M-2H+NH4"	16.019271
"487142"	610.332771	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M-2H+NH4"	16.019271
"879865"	214.123771	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-2H+NH4"	16.019271
"46924"	417.183666	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M-2H+Na"	20.974666
"486476"	615.288166	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M-2H+Na"	20.974666
"862211"	219.079166	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-2H+Na"	20.974666
"1627369"	219.079166	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Na-2H"	20.974666
"107179"	215.085563	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M-H+Cl"	33.962126
"541272"	314.137813	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M-H+Cl"	33.962126
"942567"	116.033313	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-H+Cl"	33.962126
"282800"	431.178402	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+Cl"	34.969402
"675584"	629.282902	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+Cl"	34.969402
"1283640"	233.073902	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Cl"	34.969402
"27294"	433.157606	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M-2H+K"	36.948606
"471195"	631.262106	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M-2H+K"	36.948606
"843562"	235.053106	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-2H+K"	36.948606
"1562677"	235.053106	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+K-2H"	36.948606
"949467"	243.102694	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-H+HCOOH"	44.998194
"368776"	441.207201	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+HCOOH-H"	44.998201
"354847"	455.222851	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+Hac-H"	59.013851
"1500398"	257.118351	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Hac-H"	59.013851
"963564"	265.084651	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-H+NaCOOH"	66.980151
"115752"	233.073902	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+2Cl"	69.938804
"564674"	332.126152	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+2Cl"	69.938804
"1035053"	134.021652	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2Cl"	69.938804
"1256658"	277.023385	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Br"	78.918885
"1319644"	279.079372	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Cl+HCOOH"	80.974872
"1334832"	301.061329	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Cl+NaCOOH"	102.956829
"926703"	311.090086	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M-H+CF3COOH"	112.985586
"1303327"	347.066764	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Cl+CF3COOH"	148.962264
"1381608"	163.091824	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H-2H2O"	-35.012676
"1397645"	181.1018	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H-H2O"	-17.0027
"295509"	397.216276	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+H"	1.007276
"687566"	595.320776	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+H"	1.007276
"1364280"	199.111776	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H"	1.007276
"137165"	199.111776	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+2H"	2.014552
"576723"	298.164026	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+2H"	2.014552
"1047713"	100.059526	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2H"	2.014552
"216705"	133.076942666667	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+3H"	3.021828
"654079"	199.111776	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+3H"	3.021828
"1176584"	67.0421093333333	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+3H"	3.021828
"438648"	414.242823	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+NH4"	18.033823
"789916"	612.347323	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+NH4"	18.033823
"1688434"	216.138323	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+NH4"	18.033823
"339994"	207.6250495	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+H+NH4"	19.041099
"729135"	306.6772995	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+H+NH4"	19.041099
"1485145"	108.5727995	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H+NH4"	19.041099
"398356"	419.198218	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+Na"	22.989218
"763725"	617.302718	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+Na"	22.989218
"1607451"	221.093718	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Na"	22.989218
"329400"	210.102747	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+H+Na"	23.996494
"722187"	309.154997	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+H+Na"	23.996494
"1473573"	111.050497	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H+Na"	23.996494
"1062444"	74.3694233333333	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2H+Na"	25.00377
"1268498"	231.137986	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+CH3OH+H"	33.033486
"391448"	435.172158	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+K"	38.963158
"753540"	633.276658	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+K"	38.963158
"1554865"	237.067658	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+K"	38.963158
"311677"	218.089717	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+H+K"	39.970434
"704099"	317.141967	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+H+K"	39.970434
"1455733"	119.037467	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H+K"	39.970434
"250532"	438.242826	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+ACN+H"	42.033826
"1223602"	240.138326	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+ACN+H"	42.033826
"1208580"	120.572801	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+ACN+2H"	43.041102
"194891"	441.18016	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+2Na-H"	44.97116
"633357"	639.28466	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+2Na-H"	44.97116
"1143427"	243.07566	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2Na-H"	44.97116
"185627"	221.093718	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+2Na"	45.978436
"616435"	320.145968	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+2Na"	45.978436
"1119939"	122.041468	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2Na"	45.978436
"1399695"	81.6967373333333	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H+2Na"	46.985712
"1437769"	245.117246	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H+HCOOH"	47.012746
"228557"	226.12674	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+3H2O+2H"	56.04448
"1515525"	259.16929	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+IsoProp+H"	61.06479
"412660"	229.080688	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+Na+K"	61.952376
"775113"	328.132938	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+Na+K"	61.952376
"1668890"	130.028438	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Na+K"	61.952376
"261244"	460.224768	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+ACN+Na"	64.015768
"1230677"	262.120268	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+ACN+Na"	64.015768
"1719563"	262.143793	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+NH4+HCOOH"	64.039293
"1189291"	89.0240513333333	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+3Na"	68.967654
"1659185"	267.099188	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Na+HCOOH"	68.994688
"172247"	473.12804	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+2K-H"	76.91904
"611076"	671.23254	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+2K-H"	76.91904
"1098754"	275.02354	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2K-H"	76.91904
"156176"	237.067658	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"2M+2K"	77.926316
"595249"	336.119908	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"3M+2K"	77.926316
"1076481"	138.015408	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2K"	77.926316
"1109691"	277.038092	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2K+H"	78.933592
"1348262"	277.125707	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+DMSO+H"	79.021207
"1018977"	281.164876	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2ACN+H"	83.060376
"1538074"	282.158508	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+IsoProp+Na+H"	84.054008
"1002457"	141.086076	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+2ACN+2H"	84.067652
"1600241"	283.073128	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+K+HCOOH"	84.968628
"1421526"	313.104638	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+H+CF3COOH"	115.000138
"1151817"	161.599351	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+3ACN+2H"	125.094202
"1706834"	330.131185	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+NH4+CF3COOH"	132.026685
"1644672"	335.08658	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+Na+CF3COOH"	136.98208
"1585791"	351.06052	"C14340"	"4-Phenethylphenol;4-(2-Phenylethyl)phenol"	"C14H14O"	"198.1045"	"M+K+CF3COOH"	152.95602
"806314"	214.0994	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M"	0
"975470"	195.08101	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"63007"	141.725657333333	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"507652"	213.092124	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"883265"	70.3591906666667	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"12783"	213.092124	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"452344"	320.141824	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"831846"	106.042424	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"86854"	427.191524	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"522039"	641.290924	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"898746"	213.092124	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"47486"	444.218071	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"487489"	658.317471	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"879746"	230.118671	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"46879"	449.173466	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"485614"	663.272866	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"862321"	235.074066	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1626386"	235.074066	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"107289"	231.080463	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"542475"	338.130163	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"942068"	124.030763	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"282825"	463.168202	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"675361"	677.267602	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1282657"	249.068802	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"26676"	465.147406	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"468792"	679.246806	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"844765"	251.048006	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1561693"	251.048006	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"951762"	259.097594	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"373626"	473.197001	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"353864"	487.212651	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1500508"	273.113251	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"966954"	281.079551	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"115862"	249.068802	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"565433"	356.118502	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1036256"	142.019102	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1255837"	293.018285	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1319391"	295.074272	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1334941"	317.056229	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"926487"	327.084986	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1303963"	363.061664	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1381354"	179.086724	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1395568"	197.0967	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"292336"	429.206076	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"686584"	643.305476	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1364026"	215.106676	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"139830"	215.106676	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"577202"	322.156376	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1049284"	108.056976	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"216453"	143.740209333333	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"654190"	215.106676	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1171226"	72.3737426666667	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"437055"	446.232623	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"788931"	660.332023	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1687451"	232.133223	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"339010"	223.6199495	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"730339"	330.6696495	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1485255"	116.5702495	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"399560"	451.188018	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"761649"	665.287418	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1607561"	237.088618	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"329470"	226.097647	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"722138"	333.147347	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1470403"	119.047947	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1059272"	79.7010566666667	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1269700"	247.132886	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"387183"	467.161958	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"753407"	681.261358	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1554124"	253.062558	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"311422"	234.084617	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"704209"	341.134317	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1458030"	127.034917	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"246631"	470.232626	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1224686"	256.133226	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1206504"	128.570251	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"195000"	473.16996	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"638934"	687.26936	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1139162"	259.07056	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"180266"	237.088618	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"619827"	344.138318	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1120051"	130.038918	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1401388"	87.0283706666667	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1437879"	261.112146	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"226479"	242.12164	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1513448"	275.16419	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"415322"	245.075588	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"775223"	352.125288	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1671552"	138.025888	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"261354"	492.214568	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1235160"	278.115168	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1721859"	278.138693	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1188308"	94.3556846666667	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1661482"	283.094088	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"172730"	505.11784	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"611186"	719.21724	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1099746"	291.01844	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"156528"	253.062558	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"595359"	360.112258	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1077685"	146.012858	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1109801"	293.032992	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1348372"	293.120607	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1020669"	297.159776	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1538063"	298.153408	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"1002567"	149.083526	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1600351"	299.068028	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1421636"	329.099538	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1154114"	169.596801	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1706944"	346.126085	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1644782"	351.08148	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1585901"	367.05542	"C14341"	"44-Dihydroxybibenzyl;44-(12-Ethanediyl)bisphenol"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"806424"	170.0732	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M"	0
"977038"	151.05481	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-H2O-H"	-19.01839
"63455"	112.374857333333	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M-3H"	-3.021828
"508855"	169.065924	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M-3H"	-3.021828
"881917"	55.6837906666667	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-3H"	-3.021828
"12893"	169.065924	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H"	-2.014552
"452455"	254.102524	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H"	-2.014552
"830984"	84.029324	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H"	-2.014552
"85870"	339.139124	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M-H"	-1.007276
"521420"	509.212324	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M-H"	-1.007276
"898490"	169.065924	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-H"	-1.007276
"47513"	356.165671	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+NH4"	16.019271
"487440"	526.238871	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+NH4"	16.019271
"876064"	186.092471	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+NH4"	16.019271
"45438"	361.121066	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+Na"	20.974666
"485359"	531.194266	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+Na"	20.974666
"861703"	191.047866	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+Na"	20.974666
"1626496"	191.047866	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na-2H"	20.974666
"106306"	187.054263	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M-H+Cl"	33.962126
"544771"	272.090863	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M-H+Cl"	33.962126
"936100"	102.017663	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+Cl"	33.962126
"282399"	375.115802	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Cl"	34.969402
"674741"	545.189002	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Cl"	34.969402
"1284954"	205.042602	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl"	34.969402
"27514"	377.095006	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M-2H+K"	36.948606
"467445"	547.168206	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M-2H+K"	36.948606
"842689"	207.021806	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-2H+K"	36.948606
"1562896"	207.021806	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+K-2H"	36.948606
"949686"	215.071394	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+HCOOH"	44.998194
"367901"	385.144601	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+HCOOH-H"	44.998201
"349599"	399.160251	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Hac-H"	59.013851
"1500618"	229.087051	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Hac-H"	59.013851
"964879"	237.053351	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+NaCOOH"	66.980151
"113786"	205.042602	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Cl"	69.938804
"560638"	290.079202	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Cl"	69.938804
"1036735"	120.006002	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Cl"	69.938804
"1255951"	248.992085	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Br"	78.918885
"1319703"	251.048072	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+HCOOH"	80.974872
"1335419"	273.030029	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+NaCOOH"	102.956829
"926719"	283.058786	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M-H+CF3COOH"	112.985586
"1303669"	319.035464	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Cl+CF3COOH"	148.962264
"1381464"	135.060524	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H-2H2O"	-35.012676
"1396407"	153.0705	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H-H2O"	-17.0027
"294269"	341.153676	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H"	1.007276
"687787"	511.226876	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H"	1.007276
"1363042"	171.080476	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H"	1.007276
"140548"	171.080476	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2H"	2.014552
"580594"	256.117076	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2H"	2.014552
"1051946"	86.043876	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2H"	2.014552
"216927"	114.389409333333	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+3H"	3.021828
"654300"	171.080476	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+3H"	3.021828
"1174982"	57.6983426666667	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+3H"	3.021828
"436436"	358.180223	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+NH4"	18.033823
"791230"	528.253423	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+NH4"	18.033823
"1691572"	188.107023	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4"	18.033823
"336934"	179.5937495	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+NH4"	19.041099
"732636"	264.6303495	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+NH4"	19.041099
"1483178"	94.5571495	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+NH4"	19.041099
"400763"	363.135618	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Na"	22.989218
"759570"	533.208818	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Na"	22.989218
"1608764"	193.062418	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na"	22.989218
"328283"	182.071447	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+Na"	23.996494
"720705"	267.108047	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+Na"	23.996494
"1470512"	97.034847	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+Na"	23.996494
"1057196"	65.0256566666667	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2H+Na"	25.00377
"1267624"	203.106686	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+CH3OH+H"	33.033486
"388386"	379.109558	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+K"	38.963158
"753153"	549.182758	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+K"	38.963158
"1551439"	209.036358	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+K"	38.963158
"310802"	190.058417	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+H+K"	39.970434
"702131"	275.095017	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+H+K"	39.970434
"1457047"	105.021817	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+K"	39.970434
"246739"	382.180226	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+ACN+H"	42.033826
"1222730"	212.107026	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+H"	42.033826
"1203334"	106.557151	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+2H"	43.041102
"192923"	385.11756	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Na-H"	44.97116
"639045"	555.19076	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Na-H"	44.97116
"1139272"	215.04436	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Na-H"	44.97116
"177097"	193.062418	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2Na"	45.978436
"616657"	278.099018	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2Na"	45.978436
"1116881"	108.025818	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2Na"	45.978436
"1400403"	72.3529706666667	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+2Na"	46.985712
"1435798"	217.085946	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+HCOOH"	47.012746
"221481"	198.09544	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+3H2O+2H"	56.04448
"1509178"	231.13799	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+IsoProp+H"	61.06479
"409227"	201.049388	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+Na+K"	61.952376
"780799"	286.085988	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+Na+K"	61.952376
"1668379"	116.012788	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+K"	61.952376
"262558"	404.162168	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+ACN+Na"	64.015768
"1233084"	234.088968	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+ACN+Na"	64.015768
"1720876"	234.112493	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4+HCOOH"	64.039293
"1186232"	79.6802846666667	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+3Na"	68.967654
"1662686"	239.067888	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+HCOOH"	68.994688
"172843"	417.06544	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2K-H"	76.91904
"612729"	587.13864	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2K-H"	76.91904
"1098971"	246.99224	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K-H"	76.91904
"157074"	209.036358	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"2M+2K"	77.926316
"596688"	294.072958	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"3M+2K"	77.926316
"1076701"	123.999758	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K"	77.926316
"1112098"	249.006792	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2K+H"	78.933592
"1345202"	249.094407	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+DMSO+H"	79.021207
"1019198"	253.133576	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2ACN+H"	83.060376
"1538173"	254.127208	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+IsoProp+Na+H"	84.054008
"1002678"	127.070426	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+2ACN+2H"	84.067652
"1599368"	255.041828	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+K+HCOOH"	84.968628
"1428308"	285.073338	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+H+CF3COOH"	115.000138
"1157504"	147.583701	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+3ACN+2H"	125.094202
"1708148"	302.099885	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+NH4+CF3COOH"	132.026685
"1644892"	307.05528	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+Na+CF3COOH"	136.98208
"1586011"	323.02922	"C14342"	"3-Hydroxybiphenyl;3-Phenylphenol"	"C12H10O"	"170.0732"	"M+K+CF3COOH"	152.95602
"806534"	335.1093	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M"	0
"976175"	316.09091	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-H2O-H"	-19.01839
"63928"	222.398924	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M-3H"	-3.021828
"507872"	334.102024	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M-3H"	-3.021828
"883485"	110.695824	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-3H"	-3.021828
"10817"	334.102024	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M-2H"	-2.014552
"451468"	501.656674	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M-2H"	-2.014552
"830364"	166.547374	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-2H"	-2.014552
"85980"	669.211324	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M-H"	-1.007276
"523352"	1004.320624	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M-H"	-1.007276
"898964"	334.102024	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-H"	-1.007276
"48354"	686.237871	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M-2H+NH4"	16.019271
"488644"	1021.347171	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M-2H+NH4"	16.019271
"865590"	351.128571	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-2H+NH4"	16.019271
"44819"	691.193266	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M-2H+Na"	20.974666
"485348"	1026.302566	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M-2H+Na"	20.974666
"860720"	356.083966	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-2H+Na"	20.974666
"1626606"	356.083966	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Na-2H"	20.974666
"105323"	352.090363	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M-H+Cl"	33.962126
"540508"	519.645013	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M-H+Cl"	33.962126
"936210"	184.535713	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-H+Cl"	33.962126
"281698"	705.188002	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+Cl"	34.969402
"674242"	1040.297302	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+Cl"	34.969402
"1284700"	370.078702	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Cl"	34.969402
"19967"	707.167206	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M-2H+K"	36.948606
"468282"	1042.276506	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M-2H+K"	36.948606
"840612"	372.057906	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-2H+K"	36.948606
"1560818"	372.057906	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+K-2H"	36.948606
"949796"	380.107494	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-H+HCOOH"	44.998194
"368011"	715.216801	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+HCOOH-H"	44.998201
"348979"	729.232451	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+Hac-H"	59.013851
"1497448"	394.123151	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Hac-H"	59.013851
"964989"	402.089451	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-H+NaCOOH"	66.980151
"112803"	370.078702	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+2Cl"	69.938804
"558926"	537.633352	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+2Cl"	69.938804
"1036359"	202.524052	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2Cl"	69.938804
"1256304"	414.028185	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Br"	78.918885
"1319488"	416.084172	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Cl+HCOOH"	80.974872
"1335545"	438.066129	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Cl+NaCOOH"	102.956829
"926667"	448.094886	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M-H+CF3COOH"	112.985586
"1303661"	484.071564	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Cl+CF3COOH"	148.962264
"1382063"	300.096624	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H-2H2O"	-35.012676
"1397245"	318.1066	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H-H2O"	-17.0027
"292556"	671.225876	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+H"	1.007276
"686802"	1006.335176	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+H"	1.007276
"1362057"	336.116576	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H"	1.007276
"137863"	336.116576	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+2H"	2.014552
"579609"	503.671226	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+2H"	2.014552
"1050599"	168.561926	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2H"	2.014552
"217037"	224.413476	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+3H"	3.021828
"657690"	336.116576	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+3H"	3.021828
"1174723"	112.710376	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+3H"	3.021828
"436904"	688.252423	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+NH4"	18.033823
"796809"	1023.361723	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+NH4"	18.033823
"1693870"	353.143123	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+NH4"	18.033823
"339233"	344.6298495	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+H+NH4"	19.041099
"730560"	512.1844995	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+H+NH4"	19.041099
"1484381"	177.0751995	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H+NH4"	19.041099
"398686"	693.207818	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+Na"	22.989218
"757858"	1028.317118	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+Na"	22.989218
"1608874"	358.098518	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Na"	22.989218
"329002"	347.107547	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+H+Na"	23.996494
"722031"	514.662197	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+H+Na"	23.996494
"1470622"	179.552897	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H+Na"	23.996494
"1056576"	120.03769	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2H+Na"	25.00377
"1263358"	368.142786	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+CH3OH+H"	33.033486
"386310"	709.181758	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+K"	38.963158
"751682"	1044.291058	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+K"	38.963158
"1552642"	374.072458	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+K"	38.963158
"309819"	355.094517	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+H+K"	39.970434
"698960"	522.649167	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+H+K"	39.970434
"1457155"	187.539867	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H+K"	39.970434
"246850"	712.252426	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+ACN+H"	42.033826
"1221746"	377.143126	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+ACN+H"	42.033826
"1205629"	189.075201	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+ACN+2H"	43.041102
"193033"	715.18976	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+2Na-H"	44.97116
"638061"	1050.29906	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+2Na-H"	44.97116
"1137195"	380.08046	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2Na-H"	44.97116
"177207"	358.098518	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+2Na"	45.978436
"617860"	525.653168	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+2Na"	45.978436
"1116991"	190.543868	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2Na"	45.978436
"1400513"	127.365004	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H+2Na"	46.985712
"1434815"	382.122046	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H+HCOOH"	47.012746
"221348"	363.13154	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+3H2O+2H"	56.04448
"1510380"	396.17409	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+IsoProp+H"	61.06479
"410066"	366.085488	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+Na+K"	61.952376
"777630"	533.640138	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+Na+K"	61.952376
"1668124"	198.530838	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Na+K"	61.952376
"258294"	734.234368	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+ACN+Na"	64.015768
"1233194"	399.125068	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+ACN+Na"	64.015768
"1720986"	399.148593	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+NH4+HCOOH"	64.039293
"1186342"	134.692318	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+3Na"	68.967654
"1662796"	404.103988	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Na+HCOOH"	68.994688
"172751"	747.13764	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+2K-H"	76.91904
"612752"	1082.24694	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+2K-H"	76.91904
"1098838"	412.02834	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2K-H"	76.91904
"154559"	374.072458	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"2M+2K"	77.926316
"592296"	541.627108	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"3M+2K"	77.926316
"1083128"	206.517808	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2K"	77.926316
"1112206"	414.042892	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2K+H"	78.933592
"1347499"	414.130507	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+DMSO+H"	79.021207
"1017121"	418.169676	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2ACN+H"	83.060376
"1537432"	419.163308	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+IsoProp+Na+H"	84.054008
"1004853"	209.588476	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+2ACN+2H"	84.067652
"1599478"	420.077928	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+K+HCOOH"	84.968628
"1427325"	450.109438	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+H+CF3COOH"	115.000138
"1157614"	230.101751	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+3ACN+2H"	125.094202
"1707164"	467.135985	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+NH4+CF3COOH"	132.026685
"1645002"	472.09138	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+Na+CF3COOH"	136.98208
"1586121"	488.06532	"C14343"	"Trifluralin;26-Dinitro-NN-dipropyl-4-trifluoromethylaniline"	"C13H16F3N3O4"	"335.1093"	"M+K+CF3COOH"	152.95602
"806644"	254.0579	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M"	0
"976164"	235.03951	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H2O-H"	-19.01839
"64158"	168.364657333333	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-3H"	-3.021828
"510169"	253.050624	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-3H"	-3.021828
"885782"	83.6786906666667	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-3H"	-3.021828
"15222"	253.050624	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H"	-2.014552
"455517"	380.079574	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H"	-2.014552
"832381"	126.021674	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H"	-2.014552
"86090"	507.108524	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H"	-1.007276
"522369"	761.166424	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H"	-1.007276
"900168"	253.050624	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H"	-1.007276
"48829"	524.135071	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+NH4"	16.019271
"488025"	778.192971	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+NH4"	16.019271
"865096"	270.077171	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+NH4"	16.019271
"46026"	529.090466	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+Na"	20.974666
"485585"	783.148366	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+Na"	20.974666
"863143"	275.032566	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+Na"	20.974666
"1632915"	275.032566	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na-2H"	20.974666
"108959"	271.038963	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-H+Cl"	33.962126
"546084"	398.067913	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-H+Cl"	33.962126
"936320"	144.010013	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+Cl"	33.962126
"280351"	543.085202	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Cl"	34.969402
"673866"	797.143102	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Cl"	34.969402
"1278616"	289.027302	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl"	34.969402
"27734"	545.064406	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M-2H+K"	36.948606
"467664"	799.122306	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M-2H+K"	36.948606
"842910"	291.006506	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-2H+K"	36.948606
"1564213"	291.006506	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K-2H"	36.948606
"948815"	299.056094	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+HCOOH"	44.998194
"371404"	553.114001	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+HCOOH-H"	44.998201
"350913"	567.129651	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Hac-H"	59.013851
"1498652"	313.071751	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Hac-H"	59.013851
"971664"	321.038051	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+NaCOOH"	66.980151
"125562"	289.027302	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Cl"	69.938804
"563781"	416.056252	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Cl"	69.938804
"1034041"	161.998352	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Cl"	69.938804
"1254710"	332.976785	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Br"	78.918885
"1318748"	335.032772	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+HCOOH"	80.974872
"1335396"	357.014729	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+NaCOOH"	102.956829
"925597"	367.043486	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M-H+CF3COOH"	112.985586
"1298415"	403.020164	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Cl+CF3COOH"	148.962264
"1377671"	219.045224	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-2H2O"	-35.012676
"1392616"	237.0552	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H-H2O"	-17.0027
"291573"	509.123076	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H"	1.007276
"685453"	763.180976	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H"	1.007276
"1360710"	255.065176	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H"	1.007276
"136877"	255.065176	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2H"	2.014552
"576803"	382.094126	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2H"	2.014552
"1045966"	128.036226	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H"	2.014552
"216056"	170.379209333333	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H"	3.021828
"656710"	255.065176	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+3H"	3.021828
"1171556"	85.6932426666667	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3H"	3.021828
"437016"	526.149623	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+NH4"	18.033823
"796919"	780.207523	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+NH4"	18.033823
"1693979"	272.091723	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4"	18.033823
"339343"	263.5784495	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+NH4"	19.041099
"732857"	390.6073995	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+NH4"	19.041099
"1489593"	136.5494995	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+NH4"	19.041099
"402077"	531.105018	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na"	22.989218
"765262"	785.162918	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na"	22.989218
"1617498"	277.047118	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na"	22.989218
"329479"	266.056147	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+Na"	23.996494
"722632"	393.085097	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+Na"	23.996494
"1474014"	139.027197	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+Na"	23.996494
"1066166"	93.0205566666667	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2H+Na"	25.00377
"1270031"	287.091386	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+CH3OH+H"	33.033486
"387515"	547.078958	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+K"	38.963158
"752522"	801.136858	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+K"	38.963158
"1546187"	293.021058	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K"	38.963158
"304822"	274.043117	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+H+K"	39.970434
"696151"	401.072067	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+H+K"	39.970434
"1451796"	147.014167	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+K"	39.970434
"244771"	550.149626	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+H"	42.033826
"1217483"	296.091726	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+H"	42.033826
"1199180"	148.549501	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+2H"	43.041102
"195331"	553.08696	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na-H"	44.97116
"633064"	807.14486	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na-H"	44.97116
"1135840"	299.02906	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na-H"	44.97116
"177308"	277.047118	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2Na"	45.978436
"618327"	404.076068	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2Na"	45.978436
"1118917"	150.018168	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2Na"	45.978436
"1399769"	100.347870666667	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+2Na"	46.985712
"1431643"	301.070646	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+HCOOH"	47.012746
"223528"	282.08014	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+3H2O+2H"	56.04448
"1513777"	315.12269	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+H"	61.06479
"410909"	285.034088	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+Na+K"	61.952376
"778832"	412.063038	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+Na+K"	61.952376
"1669702"	158.005138	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+K"	61.952376
"260593"	572.131568	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+ACN+Na"	64.015768
"1235492"	318.073668	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+ACN+Na"	64.015768
"1725472"	318.097193	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+HCOOH"	64.039293
"1192892"	107.675184666667	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3Na"	68.967654
"1659626"	323.052588	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+HCOOH"	68.994688
"172412"	585.03484	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K-H"	76.91904
"612537"	839.09274	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K-H"	76.91904
"1098951"	330.97694	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K-H"	76.91904
"156252"	293.021058	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"2M+2K"	77.926316
"591313"	420.050008	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"3M+2K"	77.926316
"1083000"	165.992108	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K"	77.926316
"1112317"	332.991492	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2K+H"	78.933592
"1348703"	333.079107	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+DMSO+H"	79.021207
"1021249"	337.118276	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+H"	83.060376
"1538762"	338.111908	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+IsoProp+Na+H"	84.054008
"1005210"	169.062776	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+2ACN+2H"	84.067652
"1602347"	339.026528	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+HCOOH"	84.968628
"1428164"	369.058038	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+H+CF3COOH"	115.000138
"1159911"	189.576051	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+3ACN+2H"	125.094202
"1706181"	386.084585	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+NH4+CF3COOH"	132.026685
"1645112"	391.03998	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+Na+CF3COOH"	136.98208
"1586231"	407.01392	"C14344"	"46-Dihydroxyflavone"	"C15H10O4"	"254.0579"	"M+K+CF3COOH"	152.95602
"806756"	364.1675	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M"	0
"975183"	345.14911	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-H2O-H"	-19.01839
"64150"	241.771057333333	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M-3H"	-3.021828
"503708"	363.160224	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M-3H"	-3.021828
"880177"	120.381890666667	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-3H"	-3.021828
"15603"	363.160224	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M-2H"	-2.014552
"449501"	545.243974	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M-2H"	-2.014552
"832529"	181.076474	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-2H"	-2.014552
"86200"	727.327724	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M-H"	-1.007276
"526854"	1091.495224	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M-H"	-1.007276
"899188"	363.160224	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-H"	-1.007276
"50642"	744.354271	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M-2H+NH4"	16.019271
"492024"	1108.521771	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M-2H+NH4"	16.019271
"865817"	380.186771	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-2H+NH4"	16.019271
"38827"	749.309666	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M-2H+Na"	20.974666
"485576"	1113.477166	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M-2H+Na"	20.974666
"863903"	385.142166	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-2H+Na"	20.974666
"1633878"	385.142166	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Na-2H"	20.974666
"108459"	381.148563	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M-H+Cl"	33.962126
"546194"	563.232313	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M-H+Cl"	33.962126
"939710"	199.064813	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-H+Cl"	33.962126
"282120"	763.304402	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+Cl"	34.969402
"674708"	1127.471902	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+Cl"	34.969402
"1273619"	399.136902	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Cl"	34.969402
"27844"	765.283606	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M-2H+K"	36.948606
"470205"	1129.451106	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M-2H+K"	36.948606
"839740"	401.116106	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-2H+K"	36.948606
"1558854"	401.116106	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+K-2H"	36.948606
"948923"	409.165694	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-H+HCOOH"	44.998194
"371514"	773.333201	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+HCOOH-H"	44.998201
"351023"	787.348851	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+Hac-H"	59.013851
"1498762"	423.181351	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Hac-H"	59.013851
"972503"	431.147651	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-H+NaCOOH"	66.980151
"124905"	399.136902	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+2Cl"	69.938804
"563527"	581.220652	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+2Cl"	69.938804
"1034879"	217.053152	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2Cl"	69.938804
"1254823"	443.086385	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Br"	78.918885
"1319103"	445.142372	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Cl+HCOOH"	80.974872
"1335141"	467.124329	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Cl+NaCOOH"	102.956829
"925827"	477.153086	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M-H+CF3COOH"	112.985586
"1298891"	513.129764	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Cl+CF3COOH"	148.962264
"1376687"	329.154824	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H-2H2O"	-35.012676
"1392726"	347.1648	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H-H2O"	-17.0027
"292412"	729.342276	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+H"	1.007276
"682647"	1093.509776	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+H"	1.007276
"1361913"	365.174776	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H"	1.007276
"132248"	365.174776	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+2H"	2.014552
"578373"	547.258526	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+2H"	2.014552
"1045712"	183.091026	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2H"	2.014552
"216166"	243.785609333333	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+3H"	3.021828
"657185"	365.174776	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+3H"	3.021828
"1173489"	122.396442666667	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+3H"	3.021828
"434939"	746.368823	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+NH4"	18.033823
"796665"	1110.536323	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+NH4"	18.033823
"1691173"	382.201323	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+NH4"	18.033823
"340546"	373.6880495	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+H+NH4"	19.041099
"732967"	555.7717995	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+H+NH4"	19.041099
"1485693"	191.6042995	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H+NH4"	19.041099
"402186"	751.324218	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+Na"	22.989218
"760994"	1115.491718	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+Na"	22.989218
"1617727"	387.156718	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Na"	22.989218
"328249"	376.165747	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+H+Na"	23.996494
"720915"	558.249497	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+H+Na"	23.996494
"1474124"	194.081997	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H+Na"	23.996494
"1065182"	129.723756666667	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2H+Na"	25.00377
"1267954"	397.200986	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+CH3OH+H"	33.033486
"388717"	767.298158	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+K"	38.963158
"748621"	1131.465658	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+K"	38.963158
"1543381"	403.130658	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+K"	38.963158
"302744"	384.152717	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+H+K"	39.970434
"694800"	566.236467	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+H+K"	39.970434
"1451905"	202.068967	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H+K"	39.970434
"244881"	770.368826	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+ACN+H"	42.033826
"1221967"	406.201326	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+ACN+H"	42.033826
"1199289"	203.604301	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+ACN+2H"	43.041102
"191796"	773.30616	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+2Na-H"	44.97116
"632445"	1137.47366	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+2Na-H"	44.97116
"1133398"	409.13866	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2Na-H"	44.97116
"173771"	387.156718	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+2Na"	45.978436
"618073"	569.240468	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+2Na"	45.978436
"1120487"	205.072968	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2Na"	45.978436
"1404013"	137.051070666667	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H+2Na"	46.985712
"1431025"	411.180246	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H+HCOOH"	47.012746
"223638"	392.18974	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+3H2O+2H"	56.04448
"1512793"	425.23229	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+IsoProp+H"	61.06479
"411019"	395.143688	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+Na+K"	61.952376
"777849"	577.227438	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+Na+K"	61.952376
"1674182"	213.059938	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Na+K"	61.952376
"263983"	792.350768	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+ACN+Na"	64.015768
"1233414"	428.183268	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+ACN+Na"	64.015768
"1720114"	428.206793	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+NH4+HCOOH"	64.039293
"1185469"	144.378384666667	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+3Na"	68.967654
"1658642"	433.162188	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Na+HCOOH"	68.994688
"172438"	805.25404	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+2K-H"	76.91904
"612359"	1169.42154	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+2K-H"	76.91904
"1099061"	441.08654	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2K-H"	76.91904
"156482"	403.130658	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"2M+2K"	77.926316
"592516"	585.214408	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"3M+2K"	77.926316
"1083227"	221.046908	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2K"	77.926316
"1112427"	443.101092	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2K+H"	78.933592
"1349785"	443.188707	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+DMSO+H"	79.021207
"1012970"	447.227876	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2ACN+H"	83.060376
"1531097"	448.221508	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+IsoProp+Na+H"	84.054008
"999730"	224.117576	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+2ACN+2H"	84.067652
"1602256"	449.136128	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+K+HCOOH"	84.968628
"1427910"	479.167638	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+H+CF3COOH"	115.000138
"1157834"	244.630851	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+3ACN+2H"	125.094202
"1710668"	496.194185	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+NH4+CF3COOH"	132.026685
"1649681"	501.14958	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+Na+CF3COOH"	136.98208
"1586341"	517.12352	"C14345"	"Bisphenol A dimethacrylate;22-Di(4-methacryloxyphenyl)propane"	"C23H24O4"	"364.1675"	"M+K+CF3COOH"	152.95602
"806864"	352.0269	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M"	0
"975294"	333.00851	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-H2O-H"	-19.01839
"63287"	233.677324	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M-3H"	-3.021828
"503124"	351.019624	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M-3H"	-3.021828
"880896"	116.335024	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-3H"	-3.021828
"10051"	351.019624	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M-2H"	-2.014552
"453625"	527.033074	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M-2H"	-2.014552
"832032"	175.006174	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-2H"	-2.014552
"91779"	703.046524	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M-H"	-1.007276
"524778"	1055.073424	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M-H"	-1.007276
"897839"	351.019624	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-H"	-1.007276
"51118"	720.073071	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M-2H+NH4"	16.019271
"489947"	1072.099971	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M-2H+NH4"	16.019271
"867025"	368.046171	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-2H+NH4"	16.019271
"38937"	725.028466	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M-2H+Na"	20.974666
"486411"	1077.055366	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M-2H+Na"	20.974666
"862872"	373.001566	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-2H+Na"	20.974666
"1628030"	373.001566	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Na-2H"	20.974666
"107839"	369.007963	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M-H+Cl"	33.962126
"545212"	545.021413	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M-H+Cl"	33.962126
"935447"	192.994513	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-H+Cl"	33.962126
"280568"	739.023202	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+Cl"	34.969402
"674085"	1091.050102	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+Cl"	34.969402
"1277742"	386.996302	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Cl"	34.969402
"19206"	741.002406	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M-2H+K"	36.948606
"470433"	1093.029306	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M-2H+K"	36.948606
"837663"	388.975506	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-2H+K"	36.948606
"1557870"	388.975506	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+K-2H"	36.948606
"943808"	397.025094	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-H+HCOOH"	44.998194
"372717"	749.052001	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+HCOOH-H"	44.998201
"353320"	763.067651	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+Hac-H"	59.013851
"1498872"	411.040751	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Hac-H"	59.013851
"973343"	419.007051	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-H+NaCOOH"	66.980151
"125627"	386.996302	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+2Cl"	69.938804
"564365"	563.009752	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+2Cl"	69.938804
"1036208"	210.982852	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2Cl"	69.938804
"1256026"	430.945785	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Br"	78.918885
"1319574"	433.001772	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Cl+HCOOH"	80.974872
"1335248"	454.983729	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Cl+NaCOOH"	102.956829
"925696"	465.012486	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M-H+CF3COOH"	112.985586
"1301553"	500.989164	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Cl+CF3COOH"	148.962264
"1375704"	317.014224	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H-2H2O"	-35.012676
"1392106"	335.0242	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H-H2O"	-17.0027
"291793"	705.061076	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+H"	1.007276
"682757"	1057.087976	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+H"	1.007276
"1356190"	353.034176	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H"	1.007276
"133452"	353.034176	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+2H"	2.014552
"578482"	529.047626	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+2H"	2.014552
"1046186"	177.020726	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2H"	2.014552
"215183"	235.691876	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+3H"	3.021828
"657659"	353.034176	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+3H"	3.021828
"1173963"	118.349576	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+3H"	3.021828
"435778"	722.087623	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+NH4"	18.033823
"797139"	1074.114523	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+NH4"	18.033823
"1692376"	370.060723	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+NH4"	18.033823
"340656"	361.5474495	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+H+NH4"	19.041099
"733077"	537.5608995	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+H+NH4"	19.041099
"1485803"	185.5339995	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H+NH4"	19.041099
"399016"	727.043018	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+Na"	22.989218
"761104"	1079.069918	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+Na"	22.989218
"1617228"	375.016118	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Na"	22.989218
"329087"	364.025147	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+H+Na"	23.996494
"719322"	540.038597	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+H+Na"	23.996494
"1472047"	188.011697	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H+Na"	23.996494
"1064199"	125.67689	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2H+Na"	25.00377
"1268064"	385.060386	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+CH3OH+H"	33.033486
"386641"	743.016958	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+K"	38.963158
"747638"	1095.043858	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+K"	38.963158
"1541666"	390.990058	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+K"	38.963158
"302490"	372.012117	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+H+K"	39.970434
"692724"	548.025567	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+H+K"	39.970434
"1449828"	195.998667	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H+K"	39.970434
"242803"	746.087626	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+ACN+H"	42.033826
"1218795"	394.060726	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+ACN+H"	42.033826
"1198305"	197.534001	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+ACN+2H"	43.041102
"196644"	749.02496	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+2Na-H"	44.97116
"636204"	1101.05186	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+2Na-H"	44.97116
"1133630"	396.99806	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2Na-H"	44.97116
"173641"	375.016118	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+2Na"	45.978436
"613443"	551.029568	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+2Na"	45.978436
"1117318"	199.002668	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2Na"	45.978436
"1403031"	133.004204	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H+2Na"	46.985712
"1430769"	399.039646	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H+HCOOH"	47.012746
"227028"	380.04914	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+3H2O+2H"	56.04448
"1515090"	413.09169	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+IsoProp+H"	61.06479
"414775"	383.003088	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+Na+K"	61.952376
"779053"	559.016538	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+Na+K"	61.952376
"1676479"	206.989638	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Na+K"	61.952376
"261907"	768.069568	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+ACN+Na"	64.015768
"1234617"	416.042668	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+ACN+Na"	64.015768
"1720224"	416.066193	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+NH4+HCOOH"	64.039293
"1186671"	140.331518	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+3Na"	68.967654
"1660939"	421.021588	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Na+HCOOH"	68.994688
"172508"	780.97284	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+2K-H"	76.91904
"612510"	1132.99974	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+2K-H"	76.91904
"1099861"	428.94594	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2K-H"	76.91904
"156673"	390.990058	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"2M+2K"	77.926316
"592626"	567.003508	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"3M+2K"	77.926316
"1081515"	214.976608	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2K"	77.926316
"1110350"	430.960492	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2K+H"	78.933592
"1346736"	431.048107	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+DMSO+H"	79.021207
"1020248"	435.087276	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2ACN+H"	83.060376
"1537765"	436.080908	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+IsoProp+Na+H"	84.054008
"1004945"	218.047276	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+2ACN+2H"	84.067652
"1602612"	436.995528	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+K+HCOOH"	84.968628
"1428020"	467.027038	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+H+CF3COOH"	115.000138
"1156851"	238.560551	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+3ACN+2H"	125.094202
"1712236"	484.053585	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+NH4+CF3COOH"	132.026685
"1649858"	489.00898	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+Na+CF3COOH"	136.98208
"1586451"	504.98292	"C14346"	"Bisphenol A bis(chloroformate);22-Bisp-(chloroformyloxy)phenylpropane"	"C17H14Cl2O4"	"352.0269"	"M+K+CF3COOH"	152.95602
"806974"	316.1675	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M"	0
"978318"	297.14911	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-H2O-H"	-19.01839
"65466"	209.771057333333	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M-3H"	-3.021828
"506117"	315.160224	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M-3H"	-3.021828
"882829"	104.381890666667	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-3H"	-3.021828
"10161"	315.160224	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M-2H"	-2.014552
"454342"	473.243974	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M-2H"	-2.014552
"831534"	157.076474	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-2H"	-2.014552
"92498"	631.327724	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M-H"	-1.007276
"527075"	947.495224	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M-H"	-1.007276
"902688"	315.160224	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-H"	-1.007276
"51228"	648.354271	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M-2H+NH4"	16.019271
"494431"	964.521771	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M-2H+NH4"	16.019271
"871145"	332.186771	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-2H+NH4"	16.019271
"39047"	653.309666	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M-2H+Na"	20.974666
"484338"	969.477166	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M-2H+Na"	20.974666
"862982"	337.142166	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-2H+Na"	20.974666
"1631299"	337.142166	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Na-2H"	20.974666
"108922"	333.148563	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M-H+Cl"	33.962126
"545322"	491.232313	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M-H+Cl"	33.962126
"936651"	175.064813	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-H+Cl"	33.962126
"281044"	667.304402	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+Cl"	34.969402
"674804"	983.471902	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+Cl"	34.969402
"1281133"	351.136902	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Cl"	34.969402
"20409"	669.283606	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M-2H+K"	36.948606
"468720"	985.451106	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M-2H+K"	36.948606
"838867"	353.116106	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-2H+K"	36.948606
"1559073"	353.116106	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+K-2H"	36.948606
"943675"	361.165694	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-H+HCOOH"	44.998194
"371734"	677.333201	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+HCOOH-H"	44.998201
"353430"	691.348851	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+Hac-H"	59.013851
"1495701"	375.181351	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Hac-H"	59.013851
"961056"	383.147651	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-H+NaCOOH"	66.980151
"123460"	351.136902	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+2Cl"	69.938804
"563740"	509.220652	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+2Cl"	69.938804
"1034369"	193.053152	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2Cl"	69.938804
"1255406"	395.086385	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Br"	78.918885
"1319441"	397.142372	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Cl+HCOOH"	80.974872
"1334872"	419.124329	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Cl+NaCOOH"	102.956829
"924954"	429.153086	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M-H+CF3COOH"	112.985586
"1302393"	465.129764	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Cl+CF3COOH"	148.962264
"1382013"	281.154824	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H-2H2O"	-35.012676
"1394042"	299.1648	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H-H2O"	-17.0027
"293729"	633.342276	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+H"	1.007276
"687243"	949.509776	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+H"	1.007276
"1356300"	317.174776	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H"	1.007276
"136116"	317.174776	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+2H"	2.014552
"577135"	475.258526	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+2H"	2.014552
"1046296"	159.091026	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2H"	2.014552
"216753"	211.785609333333	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+3H"	3.021828
"657043"	317.174776	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+3H"	3.021828
"1174439"	106.396442666667	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+3H"	3.021828
"433702"	650.368823	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+NH4"	18.033823
"795792"	966.536323	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+NH4"	18.033823
"1689207"	334.201323	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+NH4"	18.033823
"337486"	325.6880495	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+H+NH4"	19.041099
"732823"	483.7717995	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+H+NH4"	19.041099
"1484455"	167.6042995	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H+NH4"	19.041099
"401313"	655.324218	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+Na"	22.989218
"757934"	971.491718	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+Na"	22.989218
"1611500"	339.156718	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Na"	22.989218
"320450"	328.165747	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+H+Na"	23.996494
"713963"	486.249497	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+H+Na"	23.996494
"1466690"	170.081997	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H+Na"	23.996494
"1058112"	113.723756666667	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2H+Na"	25.00377
"1262706"	349.200986	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+CH3OH+H"	33.033486
"383472"	671.298158	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+K"	38.963158
"746656"	987.465658	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+K"	38.963158
"1540061"	355.130658	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+K"	38.963158
"299685"	336.152717	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+H+K"	39.970434
"696118"	494.236467	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+H+K"	39.970434
"1451032"	178.068967	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H+K"	39.970434
"245101"	674.368826	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+ACN+H"	42.033826
"1219999"	358.201326	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+ACN+H"	42.033826
"1199509"	179.604301	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+ACN+2H"	43.041102
"195662"	677.30616	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+2Na-H"	44.97116
"636315"	993.47366	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+2Na-H"	44.97116
"1132891"	361.13866	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2Na-H"	44.97116
"174360"	339.156718	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+2Na"	45.978436
"617203"	497.240468	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+2Na"	45.978436
"1119616"	181.072968	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2Na"	45.978436
"1404235"	121.051070666667	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H+2Na"	46.985712
"1433433"	363.180246	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H+HCOOH"	47.012746
"227138"	344.18974	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+3H2O+2H"	56.04448
"1515200"	377.23229	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+IsoProp+H"	61.06479
"414885"	347.143688	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+Na+K"	61.952376
"780257"	505.227438	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+Na+K"	61.952376
"1675862"	189.059938	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Na+K"	61.952376
"262019"	696.350768	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+ACN+Na"	64.015768
"1238614"	380.183268	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+ACN+Na"	64.015768
"1722521"	380.206793	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+NH4+HCOOH"	64.039293
"1187875"	128.378384666667	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+3Na"	68.967654
"1661050"	385.162188	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Na+HCOOH"	68.994688
"170830"	709.25404	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+2K-H"	76.91904
"610388"	1025.42154	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+2K-H"	76.91904
"1099645"	393.08654	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2K-H"	76.91904
"155366"	355.130658	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"2M+2K"	77.926316
"594926"	513.214408	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"3M+2K"	77.926316
"1076158"	197.046908	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2K"	77.926316
"1106086"	395.101092	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2K+H"	78.933592
"1343565"	395.188707	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+DMSO+H"	79.021207
"1015374"	399.227876	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2ACN+H"	83.060376
"1535687"	400.221508	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+IsoProp+Na+H"	84.054008
"1005052"	200.117576	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+2ACN+2H"	84.067652
"1599920"	401.136128	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+K+HCOOH"	84.968628
"1427766"	431.167638	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+H+CF3COOH"	115.000138
"1156961"	220.630851	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+3ACN+2H"	125.094202
"1710889"	448.194185	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+NH4+CF3COOH"	132.026685
"1649091"	453.14958	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+Na+CF3COOH"	136.98208
"1583280"	469.12352	"C14347"	"Bisphenol A bis(2-hydroxyethyl)ether;Bisphenol A ethoxylate;22-Bis4-(2-hydroxyethoxy)phenylpropane"	"C19H24O4"	"316.1675"	"M+K+CF3COOH"	152.95602
"807084"	340.1675	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M"	0
"976241"	321.14911	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-H2O-H"	-19.01839
"63030"	225.771057333333	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M-3H"	-3.021828
"503674"	339.160224	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M-3H"	-3.021828
"880750"	112.381890666667	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-3H"	-3.021828
"12458"	339.160224	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M-2H"	-2.014552
"453115"	509.243974	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M-2H"	-2.014552
"830914"	169.076474	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-2H"	-2.014552
"92607"	679.327724	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M-H"	-1.007276
"523904"	1019.495224	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M-H"	-1.007276
"899882"	339.160224	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-H"	-1.007276
"51338"	696.354271	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M-2H+NH4"	16.019271
"492354"	1036.521771	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M-2H+NH4"	16.019271
"871255"	356.186771	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-2H+NH4"	16.019271
"39157"	701.309666	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M-2H+Na"	20.974666
"478715"	1041.477166	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M-2H+Na"	20.974666
"861625"	361.142166	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-2H+Na"	20.974666
"1629339"	361.142166	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Na-2H"	20.974666
"106961"	357.148563	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M-H+Cl"	33.962126
"542152"	527.232313	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M-H+Cl"	33.962126
"934573"	187.064813	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-H+Cl"	33.962126
"278601"	715.304402	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+Cl"	34.969402
"673209"	1055.471902	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+Cl"	34.969402
"1280148"	375.136902	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Cl"	34.969402
"25985"	717.283606	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M-2H+K"	36.948606
"465542"	1057.451106	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M-2H+K"	36.948606
"844437"	377.116106	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-2H+K"	36.948606
"1561372"	377.116106	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+K-2H"	36.948606
"947065"	385.165694	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-H+HCOOH"	44.998194
"370751"	725.333201	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+HCOOH-H"	44.998201
"351353"	739.348851	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+Hac-H"	59.013851
"1496904"	399.181351	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Hac-H"	59.013851
"961530"	407.147651	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-H+NaCOOH"	66.980151
"123565"	375.136902	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+2Cl"	69.938804
"559477"	545.220652	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+2Cl"	69.938804
"1034479"	205.053152	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2Cl"	69.938804
"1256245"	419.086385	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Br"	78.918885
"1319064"	421.142372	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Cl+HCOOH"	80.974872
"1333644"	443.124329	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Cl+NaCOOH"	102.956829
"926526"	453.153086	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M-H+CF3COOH"	112.985586
"1303600"	489.129764	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Cl+CF3COOH"	148.962264
"1382532"	305.154824	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H-2H2O"	-35.012676
"1396340"	323.1648	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H-H2O"	-17.0027
"295297"	681.342276	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+H"	1.007276
"687354"	1021.509776	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+H"	1.007276
"1356410"	341.174776	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H"	1.007276
"133672"	341.174776	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+2H"	2.014552
"576517"	511.258526	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+2H"	2.014552
"1046406"	171.091026	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2H"	2.014552
"216497"	227.785609333333	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+3H"	3.021828
"656792"	341.174776	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+3H"	3.021828
"1174913"	114.396442666667	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+3H"	3.021828
"436731"	698.368823	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+NH4"	18.033823
"796265"	1038.536323	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+NH4"	18.033823
"1690775"	358.201323	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+NH4"	18.033823
"334316"	349.6880495	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+H+NH4"	19.041099
"735120"	519.7717995	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+H+NH4"	19.041099
"1486022"	179.6042995	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H+NH4"	19.041099
"399235"	703.324218	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+Na"	22.989218
"764605"	1043.491718	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+Na"	22.989218
"1612703"	363.156718	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Na"	22.989218
"325661"	352.165747	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+H+Na"	23.996494
"714073"	522.249497	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+H+Na"	23.996494
"1465708"	182.081997	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H+Na"	23.996494
"1056767"	121.723756666667	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2H+Na"	25.00377
"1265007"	373.200986	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+CH3OH+H"	33.033486
"380666"	719.298158	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+K"	38.963158
"746765"	1059.465658	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+K"	38.963158
"1542255"	379.130658	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+K"	38.963158
"301618"	360.152717	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+H+K"	39.970434
"696229"	530.236467	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+H+K"	39.970434
"1456610"	190.068967	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H+K"	39.970434
"246308"	722.368826	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+ACN+H"	42.033826
"1221935"	382.201326	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+ACN+H"	42.033826
"1203992"	191.604301	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+ACN+2H"	43.041102
"199052"	725.30616	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+2Na-H"	44.97116
"637518"	1065.47366	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+2Na-H"	44.97116
"1132112"	385.13866	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2Na-H"	44.97116
"176660"	363.156718	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+2Na"	45.978436
"614033"	533.240468	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+2Na"	45.978436
"1117539"	193.072968	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2Na"	45.978436
"1404345"	129.051070666667	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H+2Na"	46.985712
"1436459"	387.180246	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H+HCOOH"	47.012746
"227248"	368.18974	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+3H2O+2H"	56.04448
"1516404"	401.23229	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+IsoProp+H"	61.06479
"418276"	371.143688	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+Na+K"	61.952376
"779273"	541.227438	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+Na+K"	61.952376
"1677066"	201.059938	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Na+K"	61.952376
"261035"	744.350768	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+ACN+Na"	64.015768
"1237025"	404.183268	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+ACN+Na"	64.015768
"1723727"	404.206793	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+NH4+HCOOH"	64.039293
"1189080"	136.378384666667	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+3Na"	68.967654
"1658973"	409.162188	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Na+HCOOH"	68.994688
"169847"	757.25404	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+2K-H"	76.91904
"610498"	1097.42154	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+2K-H"	76.91904
"1098171"	417.08654	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2K-H"	76.91904
"156572"	379.130658	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"2M+2K"	77.926316
"595887"	549.214408	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"3M+2K"	77.926316
"1079545"	209.046908	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2K"	77.926316
"1108381"	419.101092	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2K+H"	78.933592
"1346956"	419.188707	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+DMSO+H"	79.021207
"1018765"	423.227876	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2ACN+H"	83.060376
"1538106"	424.221508	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+IsoProp+Na+H"	84.054008
"1005164"	212.117576	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+2ACN+2H"	84.067652
"1601852"	425.136128	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+K+HCOOH"	84.968628
"1427877"	455.167638	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+H+CF3COOH"	115.000138
"1153792"	232.630851	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+3ACN+2H"	125.094202
"1705531"	472.194185	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+NH4+CF3COOH"	132.026685
"1649769"	477.14958	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+Na+CF3COOH"	136.98208
"1583390"	493.12352	"C14348"	"Bisphenol A diglycidyl ether;22-Bis(4-glycidyloxyphenyl)propane"	"C21H24O4"	"340.1675"	"M+K+CF3COOH"	152.95602
"807194"	214.0994	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M"	0
"976350"	195.08101	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"63104"	141.725657333333	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"504149"	213.092124	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"880251"	70.3591906666667	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"14757"	213.092124	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"455533"	320.141824	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"827743"	106.042424	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"92839"	427.191524	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"525107"	641.290924	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"902176"	213.092124	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"50718"	444.218071	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"491371"	658.317471	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"870999"	230.118671	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"40360"	449.173466	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"477002"	663.272866	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"856627"	235.074066	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1631271"	235.074066	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"107798"	231.080463	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"545537"	338.130163	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"936869"	124.030763	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"281504"	463.168202	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"674290"	677.267602	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1281351"	249.068802	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"27188"	465.147406	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"465652"	679.246806	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"844547"	251.048006	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1561482"	251.048006	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"948269"	259.097594	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"373047"	473.197001	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"352556"	487.212651	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1498107"	273.113251	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"962369"	281.079551	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"123307"	249.068802	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"557398"	356.118502	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1035680"	142.019102	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1255988"	293.018285	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1318446"	295.074272	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1333030"	317.056229	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"925179"	327.084986	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1302982"	363.061664	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1381509"	179.086724	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1397175"	197.0967	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"297228"	429.206076	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"689285"	643.305476	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1365999"	215.106676	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"132688"	215.106676	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"576624"	322.156376	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1046152"	108.056976	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"218793"	143.740209333333	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"657259"	215.106676	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1174292"	72.3737426666667	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"437566"	446.232623	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"797104"	660.332023	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1691613"	232.133223	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"334426"	223.6199495	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"735959"	330.6696495	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1488319"	116.5702495	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"399345"	451.188018	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"767267"	665.287418	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1612813"	237.088618	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"329055"	226.097647	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"715276"	333.147347	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1470189"	119.047947	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1063435"	79.7010566666667	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1268394"	247.132886	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"384785"	467.161958	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"747968"	681.261358	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1545644"	253.062558	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"305007"	234.084617	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"698523"	341.134317	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1457814"	127.034917	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"244232"	470.232626	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1220220"	256.133226	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1204103"	128.570251	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"196975"	473.16996	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"639814"	687.26936	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1132380"	259.07056	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"173853"	237.088618	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"619611"	344.138318	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1126397"	130.038918	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1401175"	87.0283706666667	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1438756"	261.112146	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"228452"	242.12164	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1517607"	275.16419	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"416198"	245.075588	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"777196"	352.125288	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1678634"	138.025888	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"260051"	492.214568	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1239321"	278.115168	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1720555"	278.138693	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1188095"	94.3556846666667	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1657989"	283.094088	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"168134"	505.11784	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"610972"	719.21724	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1098403"	291.01844	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"155586"	253.062558	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"595142"	360.112258	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1078561"	146.012858	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1106302"	293.032992	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1347065"	293.120607	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1016688"	297.159776	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1537972"	298.153408	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"1004299"	149.083526	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1596856"	299.068028	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1424704"	329.099538	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1150622"	169.596801	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1705641"	346.126085	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1649311"	351.08148	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1583500"	367.05542	"C14349"	"11-Bis(4-hydroxyphenyl)ethane;Bisphenol E"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"807304"	336.0585	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M"	0
"978649"	317.04011	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-H2O-H"	-19.01839
"65068"	223.031724	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M-3H"	-3.021828
"504744"	335.051224	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M-3H"	-3.021828
"881211"	111.012224	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-3H"	-3.021828
"15404"	335.051224	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M-2H"	-2.014552
"455244"	503.080474	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M-2H"	-2.014552
"832475"	167.021974	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-2H"	-2.014552
"94013"	671.109724	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M-H"	-1.007276
"529592"	1007.168224	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M-H"	-1.007276
"901926"	335.051224	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-H"	-1.007276
"52652"	688.136271	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M-2H+NH4"	16.019271
"491484"	1024.194771	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M-2H+NH4"	16.019271
"875850"	352.077771	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-2H+NH4"	16.019271
"47116"	693.091666	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M-2H+Na"	20.974666
"485500"	1029.150166	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M-2H+Na"	20.974666
"860021"	357.033166	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-2H+Na"	20.974666
"1632720"	357.033166	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Na-2H"	20.974666
"109657"	353.039563	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M-H+Cl"	33.962126
"549880"	521.068813	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M-H+Cl"	33.962126
"936979"	185.010313	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-H+Cl"	33.962126
"279549"	707.086402	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+Cl"	34.969402
"672709"	1043.144902	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+Cl"	34.969402
"1285836"	371.027902	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Cl"	34.969402
"28029"	709.065606	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M-2H+K"	36.948606
"469411"	1045.124106	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M-2H+K"	36.948606
"848363"	373.007106	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-2H+K"	36.948606
"1564872"	373.007106	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+K-2H"	36.948606
"948379"	381.056694	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-H+HCOOH"	44.998194
"370970"	717.115201	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+HCOOH-H"	44.998201
"351571"	731.130851	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+Hac-H"	59.013851
"1498217"	395.072351	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Hac-H"	59.013851
"964665"	403.038651	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-H+NaCOOH"	66.980151
"123417"	371.027902	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+2Cl"	69.938804
"557508"	539.057152	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+2Cl"	69.938804
"1034694"	202.998652	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2Cl"	69.938804
"1254277"	414.977385	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Br"	78.918885
"1319857"	417.033372	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Cl+HCOOH"	80.974872
"1335412"	439.015329	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Cl+NaCOOH"	102.956829
"926827"	449.044086	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M-H+CF3COOH"	112.985586
"1303701"	485.020764	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Cl+CF3COOH"	148.962264
"1382706"	301.045824	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H-2H2O"	-35.012676
"1397530"	319.0558	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H-H2O"	-17.0027
"298395"	673.124276	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+H"	1.007276
"687936"	1009.182776	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+H"	1.007276
"1366965"	337.065776	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H"	1.007276
"140090"	337.065776	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+2H"	2.014552
"577097"	505.095026	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+2H"	2.014552
"1045897"	169.036526	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2H"	2.014552
"217081"	225.046276	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+3H"	3.021828
"656276"	337.065776	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+3H"	3.021828
"1175861"	113.026776	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+3H"	3.021828
"438041"	690.150823	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+NH4"	18.033823
"798308"	1026.209323	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+NH4"	18.033823
"1693546"	354.092323	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+NH4"	18.033823
"342190"	345.5790495	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+H+NH4"	19.041099
"734248"	513.6082995	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+H+NH4"	19.041099
"1490255"	177.5497995	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H+NH4"	19.041099
"399456"	695.106218	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+Na"	22.989218
"769787"	1031.164718	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+Na"	22.989218
"1618352"	359.047718	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Na"	22.989218
"329797"	348.056747	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+H+Na"	23.996494
"717573"	516.085997	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+H+Na"	23.996494
"1473584"	180.027497	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H+Na"	23.996494
"1063549"	120.35409	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2H+Na"	25.00377
"1267415"	369.091986	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+CH3OH+H"	33.033486
"387083"	711.080158	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+K"	38.963158
"748079"	1047.138658	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+K"	38.963158
"1549039"	375.021658	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+K"	38.963158
"308402"	356.043717	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+H+K"	39.970434
"699728"	524.072967	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+H+K"	39.970434
"1456829"	188.014467	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H+K"	39.970434
"246524"	714.150826	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+ACN+H"	42.033826
"1220331"	378.092326	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+ACN+H"	42.033826
"1205308"	189.549801	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+ACN+2H"	43.041102
"191618"	717.08816	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+2Na-H"	44.97116
"634459"	1053.14666	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+2Na-H"	44.97116
"1131887"	381.02966	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2Na-H"	44.97116
"177973"	359.047718	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+2Na"	45.978436
"614495"	527.076968	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+2Na"	45.978436
"1118852"	191.018468	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2Na"	45.978436
"1400312"	127.681404	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H+2Na"	46.985712
"1438870"	383.071246	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H+HCOOH"	47.012746
"230751"	364.08074	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+3H2O+2H"	56.04448
"1520999"	397.12329	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+IsoProp+H"	61.06479
"415217"	367.034688	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+Na+K"	61.952376
"777306"	535.063938	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+Na+K"	61.952376
"1678016"	199.005438	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Na+K"	61.952376
"263442"	736.132768	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+ACN+Na"	64.015768
"1237975"	400.074268	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+ACN+Na"	64.015768
"1724673"	400.097793	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+NH4+HCOOH"	64.039293
"1192578"	135.008718	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+3Na"	68.967654
"1662471"	405.053188	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Na+HCOOH"	68.994688
"171038"	749.03604	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+2K-H"	76.91904
"606713"	1085.09454	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+2K-H"	76.91904
"1097543"	412.97754	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2K-H"	76.91904
"154602"	375.021658	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"2M+2K"	77.926316
"591975"	543.050908	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"3M+2K"	77.926316
"1079766"	206.992408	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2K"	77.926316
"1109692"	414.992092	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2K+H"	78.933592
"1347176"	415.079707	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+DMSO+H"	79.021207
"1017893"	419.118876	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2ACN+H"	83.060376
"1537963"	420.112508	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+IsoProp+Na+H"	84.054008
"1004411"	210.063076	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+2ACN+2H"	84.067652
"1602317"	421.027128	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+K+HCOOH"	84.968628
"1428096"	451.058638	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+H+CF3COOH"	115.000138
"1159478"	230.576351	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+3ACN+2H"	125.094202
"1711218"	468.085185	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+NH4+CF3COOH"	132.026685
"1646503"	473.04058	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+Na+CF3COOH"	136.98208
"1577050"	489.01452	"C14350"	"22-Bis(4-hydroxyphenyl)hexafluoropropane;Bisphenol AF"	"C15H10F6O2"	"336.0585"	"M+K+CF3COOH"	152.95602
"804134"	166.0994	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M"	0
"976572"	147.08101	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"62875"	109.725657333333	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"502886"	165.092124	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"880022"	54.3591906666667	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"15515"	165.092124	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"455316"	248.141824	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"832640"	82.042424	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"94002"	331.191524	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"529702"	497.290924	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"899849"	165.092124	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"50575"	348.218071	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"489043"	514.317471	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"870493"	182.118671	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"47036"	353.173466	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"484517"	519.272866	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"860131"	187.074066	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1632951"	187.074066	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"109563"	183.080463	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"548674"	266.130163	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"941829"	100.030763	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"280023"	367.168202	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"673914"	533.267602	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1286677"	201.068802	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"30568"	369.147406	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"470251"	535.246806	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"848219"	203.048006	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1566803"	203.048006	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"947396"	211.097594	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"371080"	377.197001	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"351682"	391.212651	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1499419"	225.113251	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"964776"	233.079551	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"124256"	201.068802	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"560899"	284.118502	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1034804"	118.019102	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1255115"	245.018285	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1319397"	247.074272	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1334699"	269.056229	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"926619"	279.084986	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1302837"	315.061664	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1382620"	131.086724	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1398130"	149.0967	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"297449"	333.206076	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"688411"	499.305476	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1366220"	167.106676	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"137647"	167.106676	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"579032"	250.156376	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1046735"	84.056976	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"216464"	111.740209333333	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"658578"	167.106676	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1175244"	56.3737426666667	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"432321"	350.232623	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"797691"	516.332023	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1694022"	184.133223	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"344130"	175.6199495	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"738253"	258.6696495	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1492354"	92.5702495	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"407959"	355.188018	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"769647"	521.287418	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1617660"	189.088618	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"329843"	178.097647	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"722060"	261.147347	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1474791"	95.047947	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1066941"	63.7010566666667	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1271171"	199.132886	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"392177"	371.161958	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"752563"	537.261358	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1551337"	205.062558	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"309604"	186.084617	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"705553"	269.134317	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1459128"	103.034917	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"250893"	374.232626	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1222628"	208.133226	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1207605"	104.570251	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"200111"	377.16996	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"637850"	543.26936	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1131877"	211.07056	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"180271"	189.088618	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"623842"	272.138318	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1126618"	106.038918	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1404676"	71.0283706666667	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1441168"	213.112146	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"233778"	194.12164	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1523298"	227.16419	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"418607"	197.075588	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"780696"	280.125288	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1679589"	114.025888	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"266835"	396.214568	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1239910"	230.115168	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1721868"	230.138693	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1192690"	78.3556846666667	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1663674"	235.094088	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"171514"	409.11784	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"611198"	575.21724	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1099517"	243.01844	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"155805"	205.062558	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"596788"	288.112258	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1080969"	122.012858	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1109803"	245.032992	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1350935"	245.120607	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1020677"	249.159776	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1539410"	250.153408	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"1004397"	125.083526	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1602058"	251.068028	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1428570"	281.099538	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1159588"	145.596801	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1712057"	298.126085	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1645883"	303.08148	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1577160"	319.05542	"C14351"	"4-Butoxyphenol"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"810805"	221.968	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M"	0
"981058"	202.94961	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-H2O-H"	-19.01839
"69299"	146.971390666667	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M-3H"	-3.021828
"503146"	220.960724	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M-3H"	-3.021828
"880821"	72.9820573333333	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-3H"	-3.021828
"13632"	220.960724	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M-2H"	-2.014552
"454651"	331.944724	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M-2H"	-2.014552
"830997"	109.976724	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-2H"	-2.014552
"93051"	442.928724	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M-H"	-1.007276
"530906"	664.896724	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M-H"	-1.007276
"900323"	220.960724	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-H"	-1.007276
"51054"	459.955271	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M-2H+NH4"	16.019271
"492801"	681.923271	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M-2H+NH4"	16.019271
"878624"	237.987271	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-2H+NH4"	16.019271
"41786"	464.910666	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M-2H+Na"	20.974666
"478064"	686.878666	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M-2H+Na"	20.974666
"850397"	242.942666	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-2H+Na"	20.974666
"1631602"	242.942666	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Na-2H"	20.974666
"106307"	238.949063	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M-H+Cl"	33.962126
"546960"	349.933063	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M-H+Cl"	33.962126
"941574"	127.965063	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-H+Cl"	33.962126
"279040"	478.905402	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+Cl"	34.969402
"675109"	700.873402	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+Cl"	34.969402
"1286056"	256.937402	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Cl"	34.969402
"29342"	480.884606	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M-2H+K"	36.948606
"468539"	702.852606	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M-2H+K"	36.948606
"847433"	258.916606	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-2H+K"	36.948606
"1566911"	258.916606	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+K-2H"	36.948606
"948598"	266.966194	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-H+HCOOH"	44.998194
"367178"	488.934201	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+HCOOH-H"	44.998201
"352884"	502.949851	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+Hac-H"	59.013851
"1498801"	280.981851	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Hac-H"	59.013851
"963792"	288.948151	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-H+NaCOOH"	66.980151
"119261"	256.937402	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+2Cl"	69.938804
"561009"	367.921402	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+2Cl"	69.938804
"1034914"	145.953402	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2Cl"	69.938804
"1253762"	300.886885	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Br"	78.918885
"1319256"	302.942872	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Cl+HCOOH"	80.974872
"1334442"	324.924829	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Cl+NaCOOH"	102.956829
"927029"	334.953586	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M-H+CF3COOH"	112.985586
"1303961"	370.930264	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Cl+CF3COOH"	148.962264
"1382740"	186.955324	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H-2H2O"	-35.012676
"1398300"	204.9653	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H-H2O"	-17.0027
"297801"	444.943276	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+H"	1.007276
"689614"	666.911276	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+H"	1.007276
"1366453"	222.975276	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H"	1.007276
"130831"	222.975276	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+2H"	2.014552
"580114"	333.959276	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+2H"	2.014552
"1046482"	111.991276	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2H"	2.014552
"216937"	148.985942666667	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+3H"	3.021828
"657592"	222.975276	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+3H"	3.021828
"1171343"	74.9966093333333	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+3H"	3.021828
"429151"	461.969823	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+NH4"	18.033823
"792333"	683.937823	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+NH4"	18.033823
"1685383"	240.001823	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+NH4"	18.033823
"344233"	231.4885495	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+H+NH4"	19.041099
"734831"	342.4725495	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+H+NH4"	19.041099
"1488288"	120.5045495	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H+NH4"	19.041099
"407332"	466.925218	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+Na"	22.989218
"769711"	688.893218	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+Na"	22.989218
"1618212"	244.957218	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Na"	22.989218
"329624"	233.966247	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+H+Na"	23.996494
"718886"	344.950247	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+H+Na"	23.996494
"1470521"	122.982247	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H+Na"	23.996494
"1065954"	82.3239233333333	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2H+Na"	25.00377
"1269817"	255.001486	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+CH3OH+H"	33.033486
"388392"	482.899158	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+K"	38.963158
"750482"	704.867158	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+K"	38.963158
"1552540"	260.931158	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+K"	38.963158
"310809"	241.953217	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+H+K"	39.970434
"706880"	352.937217	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+H+K"	39.970434
"1458145"	130.969217	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H+K"	39.970434
"250637"	485.969826	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+ACN+H"	42.033826
"1219458"	264.001826	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+ACN+H"	42.033826
"1207349"	132.504551	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+ACN+2H"	43.041102
"198399"	488.90716	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+2Na-H"	44.97116
"634679"	710.87516	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+2Na-H"	44.97116
"1132109"	266.93916	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2Na-H"	44.97116
"179287"	244.957218	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+2Na"	45.978436
"617755"	355.941218	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+2Na"	45.978436
"1122353"	133.973218	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2Na"	45.978436
"1410251"	89.6512373333333	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H+2Na"	46.985712
"1444190"	268.980746	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H+HCOOH"	47.012746
"233885"	249.99024	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+3H2O+2H"	56.04448
"1521218"	283.03279	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+IsoProp+H"	61.06479
"415437"	252.944188	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+Na+K"	61.952376
"776432"	363.928188	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+Na+K"	61.952376
"1681029"	141.960188	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Na+K"	61.952376
"262565"	507.951768	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+ACN+Na"	64.015768
"1239289"	285.983768	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+ACN+Na"	64.015768
"1724165"	286.007293	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+NH4+HCOOH"	64.039293
"1191705"	96.9785513333333	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+3Na"	68.967654
"1660504"	290.962688	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Na+HCOOH"	68.994688
"172475"	520.85504	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+2K-H"	76.91904
"612401"	742.82304	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+2K-H"	76.91904
"1099628"	298.88704	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2K-H"	76.91904
"156969"	260.931158	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"2M+2K"	77.926316
"595961"	371.915158	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"3M+2K"	77.926316
"1079985"	149.947158	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2K"	77.926316
"1112101"	300.901592	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2K+H"	78.933592
"1347394"	300.989207	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+DMSO+H"	79.021207
"1019694"	305.028376	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2ACN+H"	83.060376
"1537330"	306.022008	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+IsoProp+Na+H"	84.054008
"1004510"	153.017826	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+2ACN+2H"	84.067652
"1602168"	306.936628	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+K+HCOOH"	84.968628
"1429043"	336.968138	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+H+CF3COOH"	115.000138
"1159698"	173.531101	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+3ACN+2H"	125.094202
"1708156"	353.994685	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+NH4+CF3COOH"	132.026685
"1645992"	358.95008	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+Na+CF3COOH"	136.98208
"1577269"	374.92402	"C14352"	"6-Bromo-2-naphthol"	"C10H7BrO"	"221.968"	"M+K+CF3COOH"	152.95602
"810915"	188.0393	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M"	0
"981167"	169.02091	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-H2O-H"	-19.01839
"66128"	124.352257333333	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M-3H"	-3.021828
"503292"	187.032024	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M-3H"	-3.021828
"880934"	61.6724906666667	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-3H"	-3.021828
"14350"	187.032024	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M-2H"	-2.014552
"452571"	281.051674	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M-2H"	-2.014552
"830864"	93.012374	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-2H"	-2.014552
"93285"	375.071324	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M-H"	-1.007276
"529923"	563.110624	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M-H"	-1.007276
"900070"	187.032024	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-H"	-1.007276
"55538"	392.097871	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M-2H+NH4"	16.019271
"492911"	580.137171	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M-2H+NH4"	16.019271
"876546"	204.058571	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-2H+NH4"	16.019271
"42989"	397.053266	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M-2H+Na"	20.974666
"475622"	585.092566	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M-2H+Na"	20.974666
"850507"	209.013966	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-2H+Na"	20.974666
"1633536"	209.013966	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Na-2H"	20.974666
"105324"	205.020363	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M-H+Cl"	33.962126
"544884"	299.040013	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M-H+Cl"	33.962126
"941319"	111.000713	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-H+Cl"	33.962126
"281340"	411.048002	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+Cl"	34.969402
"673403"	599.087302	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+Cl"	34.969402
"1286530"	223.008702	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Cl"	34.969402
"29088"	413.027206	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M-2H+K"	36.948606
"469013"	601.066506	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M-2H+K"	36.948606
"847543"	224.987906	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-2H+K"	36.948606
"1565198"	224.987906	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+K-2H"	36.948606
"948708"	233.037494	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-H+HCOOH"	44.998194
"370204"	421.076801	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+HCOOH-H"	44.998201
"352993"	435.092451	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+Hac-H"	59.013851
"1499640"	247.053151	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Hac-H"	59.013851
"966089"	255.019451	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-H+NaCOOH"	66.980151
"120465"	223.008702	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+2Cl"	69.938804
"561119"	317.028352	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+2Cl"	69.938804
"1035024"	128.989052	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2Cl"	69.938804
"1251685"	266.958185	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Br"	78.918885
"1317053"	269.014172	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Cl+HCOOH"	80.974872
"1333704"	290.996129	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Cl+NaCOOH"	102.956829
"926933"	301.024886	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M-H+CF3COOH"	112.985586
"1304034"	337.001564	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Cl+CF3COOH"	148.962264
"1381701"	153.026624	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H-2H2O"	-35.012676
"1398378"	171.0366	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H-H2O"	-17.0027
"292564"	377.085876	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+H"	1.007276
"687172"	565.125176	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+H"	1.007276
"1366439"	189.046576	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H"	1.007276
"134221"	189.046576	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+2H"	2.014552
"580467"	283.066226	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+2H"	2.014552
"1046592"	95.026926	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2H"	2.014552
"217412"	126.366809333333	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+3H"	3.021828
"654419"	189.046576	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+3H"	3.021828
"1173640"	63.6870426666667	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+3H"	3.021828
"429259"	394.112423	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+NH4"	18.033823
"791348"	582.151723	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+NH4"	18.033823
"1685493"	206.073123	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+NH4"	18.033823
"338146"	197.5598495	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+H+NH4"	19.041099
"734941"	291.5794995	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+H+NH4"	19.041099
"1491434"	103.5401995	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H+NH4"	19.041099
"407323"	399.067818	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+Na"	22.989218
"769295"	587.107118	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+Na"	22.989218
"1618001"	211.028518	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Na"	22.989218
"328519"	200.037547	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+H+Na"	23.996494
"717903"	294.057197	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+H+Na"	23.996494
"1471724"	106.017897	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H+Na"	23.996494
"1063878"	71.0143566666667	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2H+Na"	25.00377
"1269927"	221.072786	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+CH3OH+H"	33.033486
"388502"	415.041758	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+K"	38.963158
"749499"	603.081058	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+K"	38.963158
"1552650"	227.002458	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+K"	38.963158
"310919"	208.024517	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+H+K"	39.970434
"704436"	302.044167	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+H+K"	39.970434
"1457162"	114.004867	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H+K"	39.970434
"247951"	418.112426	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+ACN+H"	42.033826
"1213371"	230.073126	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+ACN+H"	42.033826
"1206729"	115.540201	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+ACN+2H"	43.041102
"195228"	421.04976	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+2Na-H"	44.97116
"631873"	609.08906	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+2Na-H"	44.97116
"1131393"	233.01046	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2Na-H"	44.97116
"176117"	211.028518	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+2Na"	45.978436
"614584"	305.048168	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+2Na"	45.978436
"1119182"	117.008868	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2Na"	45.978436
"1404894"	78.3416706666667	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H+2Na"	46.985712
"1439197"	235.052046	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H+HCOOH"	47.012746
"232172"	216.06154	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+3H2O+2H"	56.04448
"1518048"	249.10409	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+IsoProp+H"	61.06479
"412267"	219.015488	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+Na+K"	61.952376
"780916"	313.035138	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+Na+K"	61.952376
"1680167"	124.995838	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Na+K"	61.952376
"263768"	440.094368	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+ACN+Na"	64.015768
"1237212"	252.055068	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+ACN+Na"	64.015768
"1723181"	252.078593	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+NH4+HCOOH"	64.039293
"1189628"	85.6689846666667	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+3Na"	68.967654
"1657334"	257.033988	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Na+HCOOH"	68.994688
"171853"	452.99764	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+2K-H"	76.91904
"609231"	641.03694	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+2K-H"	76.91904
"1098113"	264.95834	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2K-H"	76.91904
"156146"	227.002458	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"2M+2K"	77.926316
"595341"	321.022108	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"3M+2K"	77.926316
"1080095"	132.982808	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2K"	77.926316
"1111117"	266.972892	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2K+H"	78.933592
"1345317"	267.060507	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+DMSO+H"	79.021207
"1018220"	271.099676	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2ACN+H"	83.060376
"1537321"	272.093308	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+IsoProp+Na+H"	84.054008
"1001701"	136.053476	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+2ACN+2H"	84.067652
"1602037"	273.007928	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+K+HCOOH"	84.968628
"1426236"	303.039438	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+H+CF3COOH"	115.000138
"1157622"	156.566751	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+3ACN+2H"	125.094202
"1708266"	320.065985	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+NH4+CF3COOH"	132.026685
"1646833"	325.02138	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+Na+CF3COOH"	136.98208
"1577379"	340.99532	"C14353"	"2-Chlorobiphenyl;2-Monochlorobiphenyl;PCB 1"	"C12H9Cl"	"188.0393"	"M+K+CF3COOH"	152.95602
"807747"	222.0003	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M"	0
"981278"	202.98191	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-H2O-H"	-19.01839
"68425"	146.992924	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M-3H"	-3.021828
"504703"	220.993024	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M-3H"	-3.021828
"886881"	72.992824	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-3H"	-3.021828
"14944"	220.993024	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M-2H"	-2.014552
"454019"	331.993174	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M-2H"	-2.014552
"830483"	109.992874	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-2H"	-2.014552
"93271"	442.993324	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M-H"	-1.007276
"533082"	664.993624	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M-H"	-1.007276
"907835"	220.993024	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-H"	-1.007276
"58929"	460.019871	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M-2H+NH4"	16.019271
"499217"	682.020171	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M-2H+NH4"	16.019271
"876291"	238.019571	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-2H+NH4"	16.019271
"46146"	464.975266	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M-2H+Na"	20.974666
"486672"	686.975566	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M-2H+Na"	20.974666
"859367"	242.974966	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-2H+Na"	20.974666
"1628907"	242.974966	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Na-2H"	20.974666
"106528"	238.981363	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M-H+Cl"	33.962126
"544995"	349.981513	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M-H+Cl"	33.962126
"935232"	127.981213	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-H+Cl"	33.962126
"280353"	478.970002	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+Cl"	34.969402
"672779"	700.970302	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+Cl"	34.969402
"1284818"	256.969702	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Cl"	34.969402
"27739"	480.949206	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M-2H+K"	36.948606
"468391"	702.949506	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M-2H+K"	36.948606
"846808"	258.948906	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-2H+K"	36.948606
"1565308"	258.948906	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+K-2H"	36.948606
"948818"	266.998494	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-H+HCOOH"	44.998194
"370315"	488.998801	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+HCOOH-H"	44.998201
"357115"	503.014451	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+Hac-H"	59.013851
"1498292"	281.014151	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Hac-H"	59.013851
"968386"	288.980451	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-H+NaCOOH"	66.980151
"119482"	256.969702	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+2Cl"	69.938804
"560137"	367.969852	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+2Cl"	69.938804
"1033678"	145.969552	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2Cl"	69.938804
"1249609"	300.919185	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Br"	78.918885
"1316435"	302.975172	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Cl+HCOOH"	80.974872
"1334422"	324.957129	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Cl+NaCOOH"	102.956829
"926784"	334.985886	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M-H+CF3COOH"	112.985586
"1303901"	370.962564	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Cl+CF3COOH"	148.962264
"1382178"	186.987624	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H-2H2O"	-35.012676
"1397611"	204.9976	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H-H2O"	-17.0027
"293767"	445.007876	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+H"	1.007276
"687282"	667.008176	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+H"	1.007276
"1366187"	223.007576	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H"	1.007276
"131052"	223.007576	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+2H"	2.014552
"580698"	334.007726	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+2H"	2.014552
"1050347"	112.007426	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2H"	2.014552
"218251"	149.007476	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+3H"	3.021828
"659270"	223.007576	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+3H"	3.021828
"1176303"	75.007376	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+3H"	3.021828
"434837"	462.034423	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+NH4"	18.033823
"790365"	684.034723	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+NH4"	18.033823
"1685604"	240.034123	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+NH4"	18.033823
"341536"	231.5208495	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+H+NH4"	19.041099
"735051"	342.5209995	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+H+NH4"	19.041099
"1491057"	120.5206995	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H+NH4"	19.041099
"408328"	466.989818	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+Na"	22.989218
"769283"	688.990118	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+Na"	22.989218
"1615556"	244.989518	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Na"	22.989218
"327660"	233.998547	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+H+Na"	23.996494
"720202"	344.998697	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+H+Na"	23.996494
"1472928"	122.998397	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H+Na"	23.996494
"1063990"	82.33469	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2H+Na"	25.00377
"1267854"	255.033786	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+CH3OH+H"	33.033486
"390806"	482.963758	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+K"	38.963158
"750706"	704.964058	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+K"	38.963158
"1547293"	260.963458	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+K"	38.963158
"306657"	241.985517	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+H+K"	39.970434
"703818"	352.985667	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+H+K"	39.970434
"1457273"	130.985367	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H+K"	39.970434
"245873"	486.034426	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+ACN+H"	42.033826
"1218584"	264.034126	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+ACN+H"	42.033826
"1204654"	132.520701	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+ACN+2H"	43.041102
"191329"	488.97176	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+2Na-H"	44.97116
"628776"	710.97206	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+2Na-H"	44.97116
"1132574"	266.97146	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2Na-H"	44.97116
"177322"	244.989518	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+2Na"	45.978436
"619068"	355.989668	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+2Na"	45.978436
"1119292"	133.989368	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2Na"	45.978436
"1398842"	89.662004	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H+2Na"	46.985712
"1437121"	269.013046	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H+HCOOH"	47.012746
"231191"	250.02254	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+3H2O+2H"	56.04448
"1520347"	283.06509	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+IsoProp+H"	61.06479
"420399"	252.976488	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+Na+K"	61.952376
"779933"	363.976638	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+Na+K"	61.952376
"1678090"	141.976338	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Na+K"	61.952376
"263150"	508.016368	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+ACN+Na"	64.015768
"1239875"	286.016068	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+ACN+Na"	64.015768
"1725843"	286.039593	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+NH4+HCOOH"	64.039293
"1189739"	96.989318	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+3Na"	68.967654
"1657445"	290.994988	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Na+HCOOH"	68.994688
"172210"	520.91964	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+2K-H"	76.91904
"611404"	742.91994	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+2K-H"	76.91904
"1097983"	298.91934	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2K-H"	76.91904
"155040"	260.963458	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"2M+2K"	77.926316
"595330"	371.963608	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"3M+2K"	77.926316
"1081300"	149.963308	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2K"	77.926316
"1112321"	300.933892	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2K+H"	78.933592
"1346521"	301.021507	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+DMSO+H"	79.021207
"1018334"	305.060676	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2ACN+H"	83.060376
"1536457"	306.054308	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+IsoProp+Na+H"	84.054008
"998531"	153.033976	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+2ACN+2H"	84.067652
"1598502"	306.968928	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+K+HCOOH"	84.968628
"1425253"	337.000438	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+H+CF3COOH"	115.000138
"1155546"	173.547251	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+3ACN+2H"	125.094202
"1706191"	354.026985	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+NH4+CF3COOH"	132.026685
"1645120"	358.98238	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+Na+CF3COOH"	136.98208
"1577490"	374.95632	"C14354"	"25-Dichlorobiphenyl;PCB 9"	"C12H8Cl2"	"222.0003"	"M+K+CF3COOH"	152.95602
"804574"	222.0003	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M"	0
"974377"	202.98191	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-H2O-H"	-19.01839
"66348"	146.992924	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M-3H"	-3.021828
"502913"	220.993024	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M-3H"	-3.021828
"886991"	72.992824	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-3H"	-3.021828
"12870"	220.993024	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M-2H"	-2.014552
"454978"	331.993174	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M-2H"	-2.014552
"832416"	109.992874	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-2H"	-2.014552
"93626"	442.993324	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M-H"	-1.007276
"534153"	664.993624	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M-H"	-1.007276
"909038"	220.993024	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-H"	-1.007276
"61224"	460.019871	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M-2H+NH4"	16.019271
"498597"	682.020171	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M-2H+NH4"	16.019271
"879195"	238.019571	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-2H+NH4"	16.019271
"46826"	464.975266	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M-2H+Na"	20.974666
"484956"	686.975566	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M-2H+Na"	20.974666
"859477"	242.974966	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-2H+Na"	20.974666
"1624637"	242.974966	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Na-2H"	20.974666
"106638"	238.981363	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M-H+Cl"	33.962126
"544012"	349.981513	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M-H+Cl"	33.962126
"940091"	127.981213	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-H+Cl"	33.962126
"282504"	478.970002	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+Cl"	34.969402
"672892"	700.970302	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+Cl"	34.969402
"1284565"	256.969702	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Cl"	34.969402
"23475"	480.949206	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M-2H+K"	36.948606
"467409"	702.949506	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M-2H+K"	36.948606
"845575"	258.948906	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-2H+K"	36.948606
"1568703"	258.948906	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+K-2H"	36.948606
"951115"	266.998494	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-H+HCOOH"	44.998194
"369330"	488.998801	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+HCOOH-H"	44.998201
"354307"	503.014451	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+Hac-H"	59.013851
"1502044"	281.014151	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Hac-H"	59.013851
"968497"	288.980451	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-H+NaCOOH"	66.980151
"117404"	256.969702	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+2Cl"	69.938804
"560247"	367.969852	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+2Cl"	69.938804
"1034517"	145.969552	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2Cl"	69.938804
"1252636"	300.919185	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Br"	78.918885
"1318733"	302.975172	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Cl+HCOOH"	80.974872
"1335266"	324.957129	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Cl+NaCOOH"	102.956829
"927058"	334.985886	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M-H+CF3COOH"	112.985586
"1303032"	370.962564	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Cl+CF3COOH"	148.962264
"1381316"	186.987624	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H-2H2O"	-35.012676
"1394919"	204.9976	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H-H2O"	-17.0027
"297768"	445.007876	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+H"	1.007276
"689943"	667.008176	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+H"	1.007276
"1362648"	223.007576	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H"	1.007276
"134078"	223.007576	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+2H"	2.014552
"580809"	334.007726	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+2H"	2.014552
"1047178"	112.007426	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2H"	2.014552
"216174"	149.007476	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+3H"	3.021828
"646987"	223.007576	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+3H"	3.021828
"1173861"	75.007376	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+3H"	3.021828
"427294"	462.034423	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+NH4"	18.033823
"790476"	684.034723	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+NH4"	18.033823
"1692275"	240.034123	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+NH4"	18.033823
"341647"	231.5208495	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+H+NH4"	19.041099
"737712"	342.5209995	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+H+NH4"	19.041099
"1492506"	120.5206995	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H+NH4"	19.041099
"408442"	466.989818	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+Na"	22.989218
"769273"	688.990118	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+Na"	22.989218
"1617490"	244.989518	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Na"	22.989218
"328500"	233.998547	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+H+Na"	23.996494
"718127"	344.998697	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+H+Na"	23.996494
"1475227"	122.998397	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H+Na"	23.996494
"1067585"	82.33469	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2H+Na"	25.00377
"1269057"	255.033786	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+CH3OH+H"	33.033486
"391646"	482.963758	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+K"	38.963158
"750816"	704.964058	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+K"	38.963158
"1550684"	260.963458	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+K"	38.963158
"308955"	241.985517	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+H+K"	39.970434
"703563"	352.985667	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+H+K"	39.970434
"1454103"	130.985367	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H+K"	39.970434
"247078"	486.034426	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+ACN+H"	42.033826
"1216508"	264.034126	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+ACN+H"	42.033826
"1208043"	132.520701	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+ACN+2H"	43.041102
"195450"	488.97176	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+2Na-H"	44.97116
"633187"	710.97206	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+2Na-H"	44.97116
"1137423"	266.97146	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2Na-H"	44.97116
"183629"	244.989518	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+2Na"	45.978436
"619543"	355.989668	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+2Na"	45.978436
"1124871"	133.989368	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2Na"	45.978436
"1402199"	89.662004	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H+2Na"	46.985712
"1440513"	269.013046	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H+HCOOH"	47.012746
"232761"	250.02254	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+3H2O+2H"	56.04448
"1519362"	283.06509	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+IsoProp+H"	61.06479
"421602"	252.976488	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+Na+K"	61.952376
"779679"	363.976638	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+Na+K"	61.952376
"1678200"	141.976338	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Na+K"	61.952376
"261439"	508.016368	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+ACN+Na"	64.015768
"1240473"	286.016068	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+ACN+Na"	64.015768
"1724497"	286.039593	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+NH4+HCOOH"	64.039293
"1190945"	96.989318	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+3Na"	68.967654
"1665214"	290.994988	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Na+HCOOH"	68.994688
"171835"	520.91964	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+2K-H"	76.91904
"608357"	742.91994	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+2K-H"	76.91904
"1096149"	298.91934	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2K-H"	76.91904
"156490"	260.963458	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"2M+2K"	77.926316
"593617"	371.963608	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"3M+2K"	77.926316
"1080315"	149.963308	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2K"	77.926316
"1115108"	300.933892	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2K+H"	78.933592
"1348819"	301.021507	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+DMSO+H"	79.021207
"1017351"	305.060676	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2ACN+H"	83.060376
"1535474"	306.054308	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+IsoProp+Na+H"	84.054008
"1001923"	153.033976	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+2ACN+2H"	84.067652
"1600799"	306.968928	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+K+HCOOH"	84.968628
"1424270"	337.000438	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+H+CF3COOH"	115.000138
"1152376"	173.547251	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+3ACN+2H"	125.094202
"1705208"	354.026985	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+NH4+CF3COOH"	132.026685
"1647418"	358.98238	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+Na+CF3COOH"	136.98208
"1577600"	374.95632	"C14355"	"26-Dichlorobiphenyl;PCB 10"	"C12H8Cl2"	"222.0003"	"M+K+CF3COOH"	152.95602
"804684"	222.0003	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M"	0
"974932"	202.98191	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-H2O-H"	-19.01839
"63173"	146.992924	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M-3H"	-3.021828
"503104"	220.993024	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M-3H"	-3.021828
"880161"	72.992824	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-3H"	-3.021828
"14071"	220.993024	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M-2H"	-2.014552
"454726"	331.993174	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M-2H"	-2.014552
"831433"	109.992874	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-2H"	-2.014552
"93249"	442.993324	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M-H"	-1.007276
"534189"	664.993624	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M-H"	-1.007276
"908055"	220.993024	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-H"	-1.007276
"58055"	460.019871	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M-2H+NH4"	16.019271
"498707"	682.020171	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M-2H+NH4"	16.019271
"876147"	238.019571	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-2H+NH4"	16.019271
"47010"	464.975266	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M-2H+Na"	20.974666
"482880"	686.975566	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M-2H+Na"	20.974666
"856307"	242.974966	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-2H+Na"	20.974666
"1622561"	242.974966	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Na-2H"	20.974666
"105655"	238.981363	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M-H+Cl"	33.962126
"545215"	349.981513	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M-H+Cl"	33.962126
"941778"	127.981213	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-H+Cl"	33.962126
"282408"	478.970002	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+Cl"	34.969402
"674458"	700.970302	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+Cl"	34.969402
"1285039"	256.969702	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Cl"	34.969402
"23585"	480.949206	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M-2H+K"	36.948606
"466425"	702.949506	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M-2H+K"	36.948606
"846049"	258.948906	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-2H+K"	36.948606
"1566628"	258.948906	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+K-2H"	36.948606
"951225"	266.998494	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-H+HCOOH"	44.998194
"371627"	488.998801	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+HCOOH-H"	44.998201
"355511"	503.014451	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+Hac-H"	59.013851
"1503248"	281.014151	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Hac-H"	59.013851
"970793"	288.980451	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-H+NaCOOH"	66.980151
"118607"	256.969702	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+2Cl"	69.938804
"558169"	367.969852	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+2Cl"	69.938804
"1031343"	145.969552	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2Cl"	69.938804
"1248735"	300.919185	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Br"	78.918885
"1315560"	302.975172	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Cl+HCOOH"	80.974872
"1334397"	324.957129	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Cl+NaCOOH"	102.956829
"924848"	334.985886	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M-H+CF3COOH"	112.985586
"1302285"	370.962564	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Cl+CF3COOH"	148.962264
"1380813"	186.987624	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H-2H2O"	-35.012676
"1395029"	204.9976	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H-H2O"	-17.0027
"291800"	445.007876	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+H"	1.007276
"687502"	667.008176	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+H"	1.007276
"1362758"	223.007576	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H"	1.007276
"133458"	223.007576	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+2H"	2.014552
"575208"	334.007726	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+2H"	2.014552
"1042912"	112.007426	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2H"	2.014552
"215191"	149.007476	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+3H"	3.021828
"648191"	223.007576	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+3H"	3.021828
"1167410"	75.007376	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+3H"	3.021828
"426675"	462.034423	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+NH4"	18.033823
"790586"	684.034723	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+NH4"	18.033823
"1685824"	240.034123	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+NH4"	18.033823
"338476"	231.5208495	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+H+NH4"	19.041099
"735270"	342.5209995	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+H+NH4"	19.041099
"1483622"	120.5206995	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H+NH4"	19.041099
"408478"	466.989818	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+Na"	22.989218
"766587"	688.990118	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+Na"	22.989218
"1618322"	244.989518	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Na"	22.989218
"328367"	233.998547	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+H+Na"	23.996494
"714957"	344.998697	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+H+Na"	23.996494
"1474244"	122.998397	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H+Na"	23.996494
"1065306"	82.33469	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2H+Na"	25.00377
"1270259"	255.033786	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+CH3OH+H"	33.033486
"389568"	482.963758	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+K"	38.963158
"752019"	704.964058	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+K"	38.963158
"1550794"	260.963458	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+K"	38.963158
"306877"	241.985517	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+H+K"	39.970434
"701486"	352.985667	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+H+K"	39.970434
"1456399"	130.985367	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H+K"	39.970434
"246095"	486.034426	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+ACN+H"	42.033826
"1218803"	264.034126	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+ACN+H"	42.033826
"1204872"	132.520701	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+ACN+2H"	43.041102
"193736"	488.97176	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+2Na-H"	44.97116
"632203"	710.97206	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+2Na-H"	44.97116
"1141904"	266.97146	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2Na-H"	44.97116
"183010"	244.989518	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+2Na"	45.978436
"619653"	355.989668	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+2Na"	45.978436
"1119878"	133.989368	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2Na"	45.978436
"1406683"	89.662004	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H+2Na"	46.985712
"1442810"	269.013046	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H+HCOOH"	47.012746
"232141"	250.02254	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+3H2O+2H"	56.04448
"1518744"	283.06509	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+IsoProp+H"	61.06479
"422440"	252.976488	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+Na+K"	61.952376
"779060"	363.976638	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+Na+K"	61.952376
"1677945"	141.976338	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Na+K"	61.952376
"262277"	508.016368	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+ACN+Na"	64.015768
"1240584"	286.016068	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+ACN+Na"	64.015768
"1725702"	286.039593	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+NH4+HCOOH"	64.039293
"1192148"	96.989318	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+3Na"	68.967654
"1665082"	290.994988	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Na+HCOOH"	68.994688
"171946"	520.91964	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+2K-H"	76.91904
"611385"	742.91994	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+2K-H"	76.91904
"1097354"	298.91934	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2K-H"	76.91904
"155261"	260.963458	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"2M+2K"	77.926316
"593727"	371.963608	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"3M+2K"	77.926316
"1080425"	149.963308	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2K"	77.926316
"1114611"	300.933892	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2K+H"	78.933592
"1350023"	301.021507	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+DMSO+H"	79.021207
"1017462"	305.060676	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2ACN+H"	83.060376
"1535586"	306.054308	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+IsoProp+Na+H"	84.054008
"1002033"	153.033976	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+2ACN+2H"	84.067652
"1599816"	306.968928	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+K+HCOOH"	84.968628
"1424380"	337.000438	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+H+CF3COOH"	115.000138
"1152486"	173.547251	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+3ACN+2H"	125.094202
"1706411"	354.026985	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+NH4+CF3COOH"	132.026685
"1647529"	358.98238	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+Na+CF3COOH"	136.98208
"1577710"	374.95632	"C14356"	"35-Dichlorobiphenyl;PCB 14"	"C12H8Cl2"	"222.0003"	"M+K+CF3COOH"	152.95602
"804794"	255.9613	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M"	0
"974509"	236.94291	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-H2O-H"	-19.01839
"64375"	169.633590666667	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M-3H"	-3.021828
"504301"	254.954024	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M-3H"	-3.021828
"880644"	84.3131573333333	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-3H"	-3.021828
"12726"	254.954024	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M-2H"	-2.014552
"452649"	382.934674	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M-2H"	-2.014552
"832069"	126.973374	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-2H"	-2.014552
"90446"	510.915324	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M-H"	-1.007276
"533651"	766.876624	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M-H"	-1.007276
"909258"	254.954024	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-H"	-1.007276
"58894"	527.941871	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M-2H+NH4"	16.019271
"497724"	783.903171	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M-2H+NH4"	16.019271
"876257"	271.980571	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-2H+NH4"	16.019271
"45623"	532.897266	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M-2H+Na"	20.974666
"480804"	788.858566	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M-2H+Na"	20.974666
"856417"	276.935966	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-2H+Na"	20.974666
"1623764"	276.935966	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Na-2H"	20.974666
"107588"	272.942363	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M-H+Cl"	33.962126
"546419"	400.923013	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M-H+Cl"	33.962126
"942010"	144.961713	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-H+Cl"	33.962126
"282516"	546.892002	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+Cl"	34.969402
"674567"	802.853302	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+Cl"	34.969402
"1285149"	290.930702	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Cl"	34.969402
"23696"	548.871206	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M-2H+K"	36.948606
"464348"	804.832506	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M-2H+K"	36.948606
"845430"	292.909906	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-2H+K"	36.948606
"1565644"	292.909906	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+K-2H"	36.948606
"952430"	300.959494	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-H+HCOOH"	44.998194
"370645"	556.920801	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+HCOOH-H"	44.998201
"353436"	570.936451	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+Hac-H"	59.013851
"1501176"	314.975151	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Hac-H"	59.013851
"966531"	322.941451	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-H+NaCOOH"	66.980151
"116530"	290.930702	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+2Cl"	69.938804
"560470"	418.911352	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+2Cl"	69.938804
"1032552"	162.950052	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2Cl"	69.938804
"1253952"	334.880185	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Br"	78.918885
"1317860"	336.936172	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Cl+HCOOH"	80.974872
"1333905"	358.918129	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Cl+NaCOOH"	102.956829
"922044"	368.946886	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M-H+CF3COOH"	112.985586
"1299480"	404.923564	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Cl+CF3COOH"	148.962264
"1379102"	220.948624	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H-2H2O"	-35.012676
"1397817"	238.9586	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H-H2O"	-17.0027
"293005"	512.929876	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+H"	1.007276
"686520"	768.891176	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+H"	1.007276
"1360682"	256.968576	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H"	1.007276
"134663"	256.968576	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+2H"	2.014552
"572038"	384.949226	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+2H"	2.014552
"1037921"	128.987926	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2H"	2.014552
"204273"	171.648142666667	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+3H"	3.021828
"644262"	256.968576	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+3H"	3.021828
"1165333"	86.3277093333333	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+3H"	3.021828
"428608"	529.956423	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+NH4"	18.033823
"792885"	785.917723	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+NH4"	18.033823
"1685205"	273.995123	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+NH4"	18.033823
"338588"	265.4818495	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+H+NH4"	19.041099
"734286"	393.4624995	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+H+NH4"	19.041099
"1487012"	137.5011995	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H+NH4"	19.041099
"402415"	534.911818	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+Na"	22.989218
"769246"	790.873118	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+Na"	22.989218
"1610415"	278.950518	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Na"	22.989218
"328840"	267.959547	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+H+Na"	23.996494
"717254"	395.940197	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+H+Na"	23.996494
"1475446"	139.978897	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H+Na"	23.996494
"1067235"	93.6550233333333	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2H+Na"	25.00377
"1271462"	288.994786	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+CH3OH+H"	33.033486
"390772"	550.885758	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+K"	38.963158
"752128"	806.847058	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+K"	38.963158
"1547624"	294.924458	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+K"	38.963158
"308081"	275.946517	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+H+K"	39.970434
"704510"	403.927167	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+H+K"	39.970434
"1456507"	147.965867	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H+K"	39.970434
"247299"	553.956426	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+ACN+H"	42.033826
"1214541"	297.995126	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+ACN+H"	42.033826
"1201702"	149.501201	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+ACN+2H"	43.041102
"191294"	556.89376	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+2Na-H"	44.97116
"632313"	812.85506	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+2Na-H"	44.97116
"1139828"	300.93246	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2Na-H"	44.97116
"180931"	278.950518	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+2Na"	45.978436
"620857"	406.931168	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+2Na"	45.978436
"1119988"	150.969868	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2Na"	45.978436
"1403877"	100.982337333333	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H+2Na"	46.985712
"1440733"	302.974046	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H+HCOOH"	47.012746
"232615"	283.98354	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+3H2O+2H"	56.04448
"1519582"	317.02609	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+IsoProp+H"	61.06479
"420364"	286.937488	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+Na+K"	61.952376
"782087"	414.918138	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+Na+K"	61.952376
"1676596"	158.956838	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Na+K"	61.952376
"263115"	575.938368	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+ACN+Na"	64.015768
"1240937"	319.977068	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+ACN+Na"	64.015768
"1727878"	320.000593	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+NH4+HCOOH"	64.039293
"1192261"	108.309651333333	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+3Na"	68.967654
"1664341"	324.955988	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Na+HCOOH"	68.994688
"172175"	588.84164	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+2K-H"	76.91904
"611494"	844.80294	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+2K-H"	76.91904
"1097464"	332.88034	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2K-H"	76.91904
"155980"	294.924458	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"2M+2K"	77.926316
"595664"	422.905108	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"3M+2K"	77.926316
"1081629"	166.943808	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2K"	77.926316
"1112651"	334.894892	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2K+H"	78.933592
"1349041"	334.982507	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+DMSO+H"	79.021207
"1012104"	339.021676	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2ACN+H"	83.060376
"1534603"	340.015308	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+IsoProp+Na+H"	84.054008
"1003236"	170.014476	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+2ACN+2H"	84.067652
"1600655"	340.929928	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+K+HCOOH"	84.968628
"1426677"	370.961438	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+H+CF3COOH"	115.000138
"1158063"	190.527751	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+3ACN+2H"	125.094202
"1704334"	387.987985	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+NH4+CF3COOH"	132.026685
"1647639"	392.94338	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+Na+CF3COOH"	136.98208
"1577820"	408.91732	"C14357"	"234-Trichlorobiphenyl;PCB 21"	"C12H7Cl3"	"255.9613"	"M+K+CF3COOH"	152.95602
"804904"	255.9613	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M"	0
"974349"	236.94291	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-H2O-H"	-19.01839
"63757"	169.633590666667	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M-3H"	-3.021828
"504409"	254.954024	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M-3H"	-3.021828
"880388"	84.3131573333333	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-3H"	-3.021828
"12108"	254.954024	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M-2H"	-2.014552
"449845"	382.934674	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M-2H"	-2.014552
"831167"	126.973374	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-2H"	-2.014552
"90912"	510.915324	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M-H"	-1.007276
"528283"	766.876624	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M-H"	-1.007276
"909004"	254.954024	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-H"	-1.007276
"60827"	527.941871	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M-2H+NH4"	16.019271
"494552"	783.903171	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M-2H+NH4"	16.019271
"877096"	271.980571	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-2H+NH4"	16.019271
"39529"	532.897266	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M-2H+Na"	20.974666
"473980"	788.858566	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M-2H+Na"	20.974666
"853243"	276.935966	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-2H+Na"	20.974666
"1624968"	276.935966	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Na-2H"	20.974666
"108308"	272.942363	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M-H+Cl"	33.962126
"543250"	400.923013	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M-H+Cl"	33.962126
"934576"	144.961713	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-H+Cl"	33.962126
"270945"	546.892002	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+Cl"	34.969402
"673585"	802.853302	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+Cl"	34.969402
"1286718"	290.930702	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Cl"	34.969402
"27088"	548.871206	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M-2H+K"	36.948606
"465552"	804.832506	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M-2H+K"	36.948606
"843353"	292.909906	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-2H+K"	36.948606
"1564661"	292.909906	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+K-2H"	36.948606
"945250"	300.959494	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-H+HCOOH"	44.998194
"370755"	556.920801	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+HCOOH-H"	44.998201
"351362"	570.936451	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+Hac-H"	59.013851
"1502381"	314.975151	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Hac-H"	59.013851
"966642"	322.941451	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-H+NaCOOH"	66.980151
"118829"	290.930702	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+2Cl"	69.938804
"560580"	418.911352	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+2Cl"	69.938804
"1034484"	162.950052	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2Cl"	69.938804
"1254426"	334.880185	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Br"	78.918885
"1318698"	336.936172	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Cl+HCOOH"	80.974872
"1332918"	358.918129	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Cl+NaCOOH"	102.956829
"922884"	368.946886	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M-H+CF3COOH"	112.985586
"1303238"	404.923564	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Cl+CF3COOH"	148.962264
"1375931"	220.948624	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H-2H2O"	-35.012676
"1396708"	238.9586	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H-H2O"	-17.0027
"288740"	512.929876	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+H"	1.007276
"688817"	768.891176	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+H"	1.007276
"1362979"	256.968576	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H"	1.007276
"131492"	256.968576	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+2H"	2.014552
"573242"	384.949226	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+2H"	2.014552
"1045322"	128.987926	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2H"	2.014552
"209944"	171.648142666667	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+3H"	3.021828
"648411"	256.968576	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+3H"	3.021828
"1167630"	86.3277093333333	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+3H"	3.021828
"428718"	529.956423	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+NH4"	18.033823
"792266"	785.917723	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+NH4"	18.033823
"1685679"	273.995123	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+NH4"	18.033823
"338698"	265.4818495	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+H+NH4"	19.041099
"734396"	393.4624995	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+H+NH4"	19.041099
"1487122"	137.5011995	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H+NH4"	19.041099
"403618"	534.911818	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+Na"	22.989218
"768992"	790.873118	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+Na"	22.989218
"1610525"	278.950518	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Na"	22.989218
"325672"	267.959547	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+H+Na"	23.996494
"717364"	395.940197	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+H+Na"	23.996494
"1475072"	139.978897	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H+Na"	23.996494
"1067467"	93.6550233333333	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2H+Na"	25.00377
"1269386"	288.994786	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+CH3OH+H"	33.033486
"391245"	550.885758	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+K"	38.963158
"752238"	806.847058	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+K"	38.963158
"1547734"	294.924458	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+K"	38.963158
"309284"	275.946517	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+H+K"	39.970434
"702799"	403.927167	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+H+K"	39.970434
"1457712"	147.965867	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H+K"	39.970434
"245221"	553.956426	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+ACN+H"	42.033826
"1216838"	297.995126	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+ACN+H"	42.033826
"1201812"	149.501201	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+ACN+2H"	43.041102
"190676"	556.89376	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+2Na-H"	44.97116
"630114"	812.85506	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+2Na-H"	44.97116
"1135564"	300.93246	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2Na-H"	44.97116
"179948"	278.950518	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+2Na"	45.978436
"616593"	406.931168	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+2Na"	45.978436
"1119004"	150.969868	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2Na"	45.978436
"1408726"	100.982337333333	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H+2Na"	46.985712
"1442665"	302.974046	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H+HCOOH"	47.012746
"232360"	283.98354	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+3H2O+2H"	56.04448
"1519328"	317.02609	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+IsoProp+H"	61.06479
"417191"	286.937488	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+Na+K"	61.952376
"781832"	414.918138	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+Na+K"	61.952376
"1676342"	158.956838	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Na+K"	61.952376
"263225"	575.938368	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+ACN+Na"	64.015768
"1240804"	319.977068	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+ACN+Na"	64.015768
"1725923"	320.000593	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+NH4+HCOOH"	64.039293
"1187996"	108.309651333333	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+3Na"	68.967654
"1661169"	324.955988	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Na+HCOOH"	68.994688
"171312"	588.84164	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+2K-H"	76.91904
"610511"	844.80294	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+2K-H"	76.91904
"1097569"	332.88034	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2K-H"	76.91904
"156090"	294.924458	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"2M+2K"	77.926316
"595652"	422.905108	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"3M+2K"	77.926316
"1082833"	166.943808	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2K"	77.926316
"1112761"	334.894892	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2K+H"	78.933592
"1349151"	334.982507	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+DMSO+H"	79.021207
"1012215"	339.021676	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2ACN+H"	83.060376
"1534713"	340.015308	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+IsoProp+Na+H"	84.054008
"1002254"	170.014476	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+2ACN+2H"	84.067652
"1600037"	340.929928	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+K+HCOOH"	84.968628
"1421320"	370.961438	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+H+CF3COOH"	115.000138
"1158173"	190.527751	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+3ACN+2H"	125.094202
"1706631"	387.987985	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+NH4+CF3COOH"	132.026685
"1647749"	392.94338	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+Na+CF3COOH"	136.98208
"1577930"	408.91732	"C14358"	"235-Trichlorobiphenyl;PCB 26"	"C12H7Cl3"	"255.9613"	"M+K+CF3COOH"	152.95602
"805014"	255.9613	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M"	0
"977450"	236.94291	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-H2O-H"	-19.01839
"64961"	169.633590666667	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M-3H"	-3.021828
"506344"	254.954024	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M-3H"	-3.021828
"881961"	84.3131573333333	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-3H"	-3.021828
"12945"	254.954024	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M-2H"	-2.014552
"452870"	382.934674	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M-2H"	-2.014552
"828482"	126.973374	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-2H"	-2.014552
"92846"	510.915324	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M-H"	-1.007276
"532283"	766.876624	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M-H"	-1.007276
"905100"	254.954024	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-H"	-1.007276
"54005"	527.941871	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M-2H+NH4"	16.019271
"493565"	783.903171	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M-2H+NH4"	16.019271
"871370"	271.980571	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-2H+NH4"	16.019271
"37082"	532.897266	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M-2H+Na"	20.974666
"478100"	788.858566	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M-2H+Na"	20.974666
"852986"	276.935966	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-2H+Na"	20.974666
"1623246"	276.935966	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Na-2H"	20.974666
"103794"	272.942363	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M-H+Cl"	33.962126
"541168"	400.923013	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M-H+Cl"	33.962126
"934682"	144.961713	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-H+Cl"	33.962126
"275428"	546.892002	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+Cl"	34.969402
"670045"	802.853302	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+Cl"	34.969402
"1285735"	290.930702	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Cl"	34.969402
"28291"	548.871206	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M-2H+K"	36.948606
"470038"	804.832506	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M-2H+K"	36.948606
"847111"	292.909906	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-2H+K"	36.948606
"1563677"	292.909906	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+K-2H"	36.948606
"948276"	300.959494	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-H+HCOOH"	44.998194
"368678"	556.920801	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+HCOOH-H"	44.998201
"356575"	570.936451	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+Hac-H"	59.013851
"1501398"	314.975151	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Hac-H"	59.013851
"968939"	322.941451	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-H+NaCOOH"	66.980151
"117117"	290.930702	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+2Cl"	69.938804
"560690"	418.911352	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+2Cl"	69.938804
"1033864"	162.950052	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2Cl"	69.938804
"1254540"	334.880185	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Br"	78.918885
"1317354"	336.936172	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Cl+HCOOH"	80.974872
"1333395"	358.918129	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Cl+NaCOOH"	102.956829
"918984"	368.946886	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M-H+CF3COOH"	112.985586
"1300796"	404.923564	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Cl+CF3COOH"	148.962264
"1371667"	220.948624	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H-2H2O"	-35.012676
"1396090"	238.9586	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H-H2O"	-17.0027
"291037"	512.929876	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+H"	1.007276
"688927"	768.891176	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+H"	1.007276
"1363090"	256.968576	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H"	1.007276
"131602"	256.968576	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+2H"	2.014552
"573352"	384.949226	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+2H"	2.014552
"1042152"	128.987926	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2H"	2.014552
"210054"	171.648142666667	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+3H"	3.021828
"650708"	256.968576	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+3H"	3.021828
"1166647"	86.3277093333333	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+3H"	3.021828
"429920"	529.956423	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+NH4"	18.033823
"789822"	785.917723	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+NH4"	18.033823
"1686154"	273.995123	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+NH4"	18.033823
"339900"	265.4818495	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+H+NH4"	19.041099
"736334"	393.4624995	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+H+NH4"	19.041099
"1491608"	137.5011995	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H+NH4"	19.041099
"404821"	534.911818	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+Na"	22.989218
"769106"	790.873118	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+Na"	22.989218
"1615007"	278.950518	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Na"	22.989218
"328576"	267.959547	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+H+Na"	23.996494
"720269"	395.940197	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+H+Na"	23.996494
"1475545"	139.978897	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H+Na"	23.996494
"1066364"	93.6550233333333	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2H+Na"	25.00377
"1269497"	288.994786	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+CH3OH+H"	33.033486
"391964"	550.885758	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+K"	38.963158
"751255"	806.847058	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+K"	38.963158
"1550031"	294.924458	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+K"	38.963158
"306114"	275.946517	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+H+K"	39.970434
"704732"	403.927167	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+H+K"	39.970434
"1454544"	147.965867	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H+K"	39.970434
"244237"	553.956426	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+ACN+H"	42.033826
"1218040"	297.995126	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+ACN+H"	42.033826
"1203015"	149.501201	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+ACN+2H"	43.041102
"189934"	556.89376	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+2Na-H"	44.97116
"629370"	812.85506	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+2Na-H"	44.97116
"1135674"	300.93246	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2Na-H"	44.97116
"180058"	278.950518	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+2Na"	45.978436
"615974"	406.931168	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+2Na"	45.978436
"1119114"	150.969868	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2Na"	45.978436
"1405920"	100.982337333333	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H+2Na"	46.985712
"1443139"	302.974046	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H+HCOOH"	47.012746
"231741"	283.98354	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+3H2O+2H"	56.04448
"1519802"	317.02609	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+IsoProp+H"	61.06479
"419488"	286.937488	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+Na+K"	61.952376
"781577"	414.918138	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+Na+K"	61.952376
"1675723"	158.956838	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Na+K"	61.952376
"263337"	575.938368	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+ACN+Na"	64.015768
"1240550"	319.977068	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+ACN+Na"	64.015768
"1727007"	320.000593	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+NH4+HCOOH"	64.039293
"1189199"	108.309651333333	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+3Na"	68.967654
"1663466"	324.955988	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Na+HCOOH"	68.994688
"169969"	588.84164	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+2K-H"	76.91904
"609166"	844.80294	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+2K-H"	76.91904
"1098773"	332.88034	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2K-H"	76.91904
"156080"	294.924458	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"2M+2K"	77.926316
"594427"	422.905108	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"3M+2K"	77.926316
"1083191"	166.943808	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2K"	77.926316
"1114698"	334.894892	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2K+H"	78.933592
"1349259"	334.982507	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+DMSO+H"	79.021207
"1016695"	339.021676	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2ACN+H"	83.060376
"1535915"	340.015308	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+IsoProp+Na+H"	84.054008
"1003458"	170.014476	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+2ACN+2H"	84.067652
"1600148"	340.929928	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+K+HCOOH"	84.968628
"1422523"	370.961438	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+H+CF3COOH"	115.000138
"1155003"	190.527751	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+3ACN+2H"	125.094202
"1706741"	387.987985	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+NH4+CF3COOH"	132.026685
"1648587"	392.94338	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+Na+CF3COOH"	136.98208
"1578040"	408.91732	"C14359"	"236-Trichlorobiphenyl;PCB 24"	"C12H7Cl3"	"255.9613"	"M+K+CF3COOH"	152.95602
"805124"	289.9224	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M"	0
"975374"	270.90401	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"65071"	192.274324	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"504260"	288.915124	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"880976"	95.633524	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"12692"	288.915124	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"454439"	433.876324	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"831021"	143.953924	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"91133"	578.837524	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"532880"	868.759924	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"904117"	288.915124	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"53022"	595.864071	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"492582"	885.786471	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"872573"	305.941671	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"38286"	600.819466	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"477849"	890.741866	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"856745"	310.897066	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1622995"	310.897066	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"106821"	306.903463	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"545653"	451.864663	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"934792"	161.942263	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"275538"	614.814202	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"674898"	904.736602	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1287304"	324.891802	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"28766"	616.793406	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"470512"	906.715806	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"845034"	326.871006	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1563787"	326.871006	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"946200"	334.920594	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"367695"	624.843001	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"355227"	638.858651	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1504788"	348.936251	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"970507"	356.902551	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"117956"	324.891802	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"560800"	469.853002	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1035796"	179.930602	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1255380"	368.841285	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1318918"	370.897272	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1334598"	392.879229	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"915814"	402.907986	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1301270"	438.884664	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1373964"	254.909724	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1394741"	272.9197	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"295520"	580.852076	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"689035"	870.774476	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1363927"	290.929676	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"128432"	290.929676	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"571277"	435.890876	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1040075"	145.968476	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"204934"	194.288876	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"647171"	290.929676	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1167850"	97.648076	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"432217"	597.878623	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"791025"	887.801023	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1687357"	307.956223	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"338916"	299.4429495	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"736807"	444.4041495	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1492490"	154.4817495	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"407117"	602.834018	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"769085"	892.756418	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1614024"	312.911618	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"329536"	301.920647	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"720860"	446.881847	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1476467"	156.959447	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1067568"	104.97539	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1271552"	322.955886	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"392316"	618.807958	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"753187"	908.730358	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1555003"	328.885558	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"312785"	309.907617	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"701926"	454.868817	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1454655"	164.946417	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"242160"	621.878626	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1215964"	331.956226	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1200941"	166.481751	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"196000"	624.81596	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"634465"	914.73836	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1139064"	334.89356	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"184542"	312.911618	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"618636"	457.872818	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1119224"	167.950418	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1405666"	112.302704	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1442156"	336.935146	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"230757"	317.94464	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1516632"	350.98719	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"420691"	320.898588	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"781687"	465.859788	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1676926"	175.937388	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"263082"	643.860568	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1241028"	353.938168	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1726872"	353.961693	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1189309"	119.630018	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1663576"	358.917088	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"171535"	656.76384	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"608544"	946.68624	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1097790"	366.84144	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"153514"	328.885558	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"594171"	473.846758	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1082938"	183.924358	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1114806"	368.855992	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1349368"	368.943607	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1017898"	372.982776	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1536023"	373.976408	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"1001381"	186.995026	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1599895"	374.891028	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1423726"	404.922538	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1156206"	207.508301	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1705758"	421.949085	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1649061"	426.90448	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1578150"	442.87842	"C14360"	"2245-Tetrachlorobiphenyl;PCB 48"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"808514"	289.9224	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M"	0
"977671"	270.90401	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"63277"	192.274324	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"502879"	288.915124	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"880844"	95.633524	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"14261"	288.915124	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"455361"	433.876324	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"830158"	143.953924	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"91242"	578.837524	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"531894"	868.759924	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"905320"	288.915124	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"52039"	595.864071	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"491599"	885.786471	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"872683"	305.941671	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"37303"	600.819466	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"479051"	890.741866	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"851746"	310.897066	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1619334"	310.897066	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"101824"	306.903463	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"542479"	451.864663	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"937085"	161.942263	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"273457"	614.814202	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"672817"	904.736602	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1286319"	324.891802	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"29605"	616.793406	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"469165"	906.715806	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"845144"	326.871006	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1563897"	326.871006	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"950682"	334.920594	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"368900"	624.843001	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"352784"	638.858651	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1501615"	348.936251	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"968065"	356.902551	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"119159"	324.891802	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"558723"	469.853002	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1034813"	179.930602	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1254757"	368.841285	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1317204"	370.897272	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1328143"	392.879229	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"919202"	402.907986	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1297004"	438.884664	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1376259"	254.909724	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1386103"	272.9197	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"295629"	580.852076	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"686957"	870.774476	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1365129"	290.929676	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"138383"	290.929676	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"572480"	435.890876	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1039821"	145.968476	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"206263"	194.288876	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"646917"	290.929676	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1167960"	97.648076	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"432327"	597.878623	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"790042"	887.801023	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1689654"	307.956223	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"342306"	299.4429495	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"736553"	444.4041495	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1491950"	154.4817495	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"406134"	602.834018	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"768953"	892.756418	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1615227"	312.911618	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"329960"	301.920647	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"720970"	446.881847	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1477002"	156.959447	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1068002"	104.97539	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1272271"	322.955886	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"392772"	618.807958	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"753298"	908.730358	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1552438"	328.885558	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"309616"	309.907617	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"699850"	454.868817	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1451483"	164.946417	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"244457"	621.878626	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1218260"	331.956226	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1201050"	166.481751	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"190641"	624.81596	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"633482"	914.73836	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1138081"	334.89356	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"180278"	312.911618	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"622025"	457.872818	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1121156"	167.950418	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1405776"	112.302704	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1442266"	336.935146	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"228680"	317.94464	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1516742"	350.98719	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"420437"	320.898588	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"777422"	465.859788	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1678858"	175.937388	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"263554"	643.860568	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1240893"	353.938168	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1727593"	353.961693	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1186137"	119.630018	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1663686"	358.917088	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"172010"	656.76384	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"610113"	946.68624	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1098875"	366.84144	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"155206"	328.885558	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"595617"	473.846758	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1082317"	183.924358	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1114309"	368.855992	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1346199"	368.943607	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1016916"	372.982776	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1537594"	373.976408	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"1001127"	186.995026	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1600003"	374.891028	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1428577"	404.922538	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1153036"	207.508301	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1701494"	421.949085	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1647714"	426.90448	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1578260"	442.87842	"C14361"	"2344-Tetrachlorobiphenyl;PCB 60"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"808624"	289.9224	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M"	0
"974210"	270.90401	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"66019"	192.274324	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"504487"	288.915124	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"879994"	95.633524	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"14737"	288.915124	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"454290"	433.876324	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"826988"	143.953924	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"90988"	578.837524	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"532004"	868.759924	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"903244"	288.915124	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"51056"	595.864071	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"489523"	885.786471	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"868420"	305.941671	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"37413"	600.819466	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"478068"	890.741866	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"850764"	310.897066	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1619931"	310.897066	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"95727"	306.903463	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"534928"	451.864663	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"935009"	161.942263	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"272474"	614.814202	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"662709"	904.736602	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1288459"	324.891802	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"31016"	616.793406	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"469275"	906.715806	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"847806"	326.871006	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1567287"	326.871006	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"949698"	334.920594	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"369010"	624.843001	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"350341"	638.858651	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1498079"	348.936251	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"970362"	356.902551	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"119269"	324.891802	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"560656"	469.853002	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1035288"	179.930602	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1254870"	368.841285	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1318774"	370.897272	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1330441"	392.879229	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"923322"	402.907986	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1297115"	438.884664	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1378557"	254.909724	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1392773"	272.9197	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"296832"	580.852076	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"690348"	870.774476	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1365240"	290.929676	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"137400"	290.929676	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"572589"	435.890876	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1039567"	145.968476	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"206373"	194.288876	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"647027"	290.929676	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1168070"	97.648076	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"430250"	597.878623	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"791245"	887.801023	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1687578"	307.956223	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"341323"	299.4429495	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"737028"	444.4041495	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1489751"	154.4817495	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"406245"	602.834018	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"765052"	892.756418	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1615337"	312.911618	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"329028"	301.920647	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"722771"	446.881847	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1476769"	156.959447	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1064873"	104.97539	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1269466"	322.955886	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"390228"	618.807958	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"751586"	908.730358	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1551457"	328.885558	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"302071"	309.907617	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"694491"	454.868817	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1450499"	164.946417	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"241287"	621.878626	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1213996"	331.956226	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1200066"	166.481751	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"190142"	624.81596	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"630796"	914.73836	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1136004"	334.89356	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"179294"	312.911618	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"618855"	457.872818	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1121266"	167.950418	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1405886"	112.302704	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1442376"	336.935146	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"230977"	317.94464	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1520132"	350.98719	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"415445"	320.898588	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"781907"	465.859788	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1678604"	175.937388	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"261477"	643.860568	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1240757"	353.938168	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1726728"	353.961693	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1188433"	119.630018	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1662702"	358.917088	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"171511"	656.76384	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"611314"	946.68624	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1099349"	366.84144	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"155437"	328.885558	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"595365"	473.846758	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1081458"	183.924358	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1114420"	368.855992	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1348495"	368.943607	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1018120"	372.982776	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1536245"	373.976408	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"1005486"	186.995026	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1600477"	374.891028	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1429293"	404.922538	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1150959"	207.508301	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1704885"	421.949085	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1649283"	426.90448	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1581650"	442.87842	"C14362"	"2345-Tetrachlorobiphenyl;PCB 61"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"808734"	289.9224	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M"	0
"974971"	270.90401	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"64307"	192.274324	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"503867"	288.915124	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"880366"	95.633524	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"15457"	288.915124	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"455376"	433.876324	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"827098"	143.953924	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"91341"	578.837524	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"528834"	868.759924	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"903353"	288.915124	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"52259"	595.864071	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"491089"	885.786471	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"868529"	305.941671	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"36430"	600.819466	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"475991"	890.741866	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"849414"	310.897066	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1618482"	310.897066	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"94701"	306.903463	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"534826"	451.864663	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"931839"	161.942263	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"272584"	614.814202	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"662817"	904.736602	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1285441"	324.891802	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"30926"	616.793406	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"470113"	906.715806	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"847188"	326.871006	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1566304"	326.871006	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"945438"	334.920594	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"372403"	624.843001	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"349724"	638.858651	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1497096"	348.936251	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"966098"	356.902551	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"116099"	324.891802	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"560037"	469.853002	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1034305"	179.930602	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1254977"	368.841285	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1318883"	370.897272	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1326178"	392.879229	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"912862"	402.907986	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1291758"	438.884664	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1380124"	254.909724	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1389602"	272.9197	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"295847"	580.852076	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"688271"	870.774476	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1362434"	290.929676	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"138968"	290.929676	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"571606"	435.890876	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1039676"	145.968476	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"205025"	194.288876	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"646043"	290.929676	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1165993"	97.648076	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"430358"	597.878623	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"786251"	887.801023	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1687688"	307.956223	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"339248"	299.4429495	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"737017"	444.4041495	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1490956"	154.4817495	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"404168"	602.834018	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"762975"	892.756418	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1612167"	312.911618	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"329869"	301.920647	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"722408"	446.881847	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1476801"	156.959447	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1063889"	104.97539	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1270305"	322.955886	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"389609"	618.807958	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"749874"	908.730358	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1550474"	328.885558	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"301088"	309.907617	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"693142"	454.868817	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1449516"	164.946417	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"239212"	621.878626	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1215200"	331.956226	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1199083"	166.481751	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"193411"	624.81596	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"630418"	914.73836	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1136478"	334.89356	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"178675"	312.911618	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"618964"	457.872818	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1122468"	167.950418	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1409276"	112.302704	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1442486"	336.935146	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"234004"	317.94464	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1520242"	350.98719	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"417742"	320.898588	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"777644"	465.859788	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1676162"	175.937388	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"259401"	643.860568	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1240953"	353.938168	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1728339"	353.961693	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1192554"	119.630018	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1662812"	358.917088	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"171742"	656.76384	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"610696"	946.68624	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1098855"	366.84144	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"156276"	328.885558	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"596445"	473.846758	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1081931"	183.924358	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1114169"	368.855992	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1349580"	368.943607	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1018233"	372.982776	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1539392"	373.976408	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"1005557"	186.995026	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1601926"	374.891028	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1429161"	404.922538	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1154349"	207.508301	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1704995"	421.949085	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1649393"	426.90448	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1581760"	442.87842	"C14363"	"2356-Tetrachlorobiphenyl;PCB 65"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"814312"	289.9224	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M"	0
"980189"	270.90401	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"64177"	192.274324	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"505070"	288.915124	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"882507"	95.633524	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"14829"	288.915124	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"454514"	433.876324	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"826114"	143.953924	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"91451"	578.837524	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"528945"	868.759924	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"902370"	288.915124	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"50547"	595.864071	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"490835"	885.786471	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"870829"	305.941671	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"36538"	600.819466	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"475734"	890.741866	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"849401"	310.897066	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1619058"	310.897066	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"95223"	306.903463	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"535146"	451.864663	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"929033"	161.942263	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"271600"	614.814202	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"661834"	904.736602	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1285915"	324.891802	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"30670"	616.793406	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"469496"	906.715806	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"848028"	326.871006	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1562039"	326.871006	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"949924"	334.920594	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"369233"	624.843001	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"348375"	638.858651	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1497935"	348.936251	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"968031"	356.902551	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"116209"	324.891802	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"562335"	469.853002	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1034416"	179.930602	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1254724"	368.841285	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1318267"	370.897272	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1326288"	392.879229	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"918439"	402.907986	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1291868"	438.884664	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1378777"	254.909724	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1389712"	272.9197	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"295958"	580.852076	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"687290"	870.774476	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1361450"	290.929676	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"138714"	290.929676	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"571716"	435.890876	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1038327"	145.968476	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"208781"	194.288876	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"645789"	290.929676	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1167196"	97.648076	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"430468"	597.878623	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"787455"	887.801023	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1687798"	307.956223	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"340452"	299.4429495	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"737856"	444.4041495	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1491066"	154.4817495	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"405372"	602.834018	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"759804"	892.756418	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1606444"	312.911618	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"323410"	301.920647	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"722156"	446.881847	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1476827"	156.959447	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1064000"	104.97539	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1266773"	322.955886	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"389719"	618.807958	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"751077"	908.730358	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1551677"	328.885558	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"304479"	309.907617	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"693982"	454.868817	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1448167"	164.946417	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"241509"	621.878626	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1214217"	331.956226	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1199194"	166.481751	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"193157"	624.81596	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"632718"	914.73836	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1136952"	334.89356	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"176598"	312.911618	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"617617"	457.872818	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1116382"	167.950418	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1403919"	112.302704	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1436035"	336.935146	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"232291"	317.94464	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1519988"	350.98719	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"418945"	320.898588	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"779576"	465.859788	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1675906"	175.937388	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"260604"	643.860568	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1240613"	353.938168	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1727677"	353.961693	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1190840"	119.630018	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1664016"	358.917088	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"171247"	656.76384	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"609350"	946.68624	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1097506"	366.84144	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"154320"	328.885558	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"594612"	473.846758	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1080220"	183.924358	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1112579"	368.855992	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1349081"	368.943607	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1017247"	372.982776	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1538530"	373.976408	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"1004857"	186.995026	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1600698"	374.891028	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1428179"	404.922538	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1156646"	207.508301	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1705105"	421.949085	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1648045"	426.90448	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1581870"	442.87842	"C14364"	"2446-Tetrachlorobiphenyl;PCB 75"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"805674"	323.8834	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M"	0
"977019"	304.86501	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-H2O-H"	-19.01839
"66716"	214.914990666667	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M-3H"	-3.021828
"509192"	322.876124	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M-3H"	-3.021828
"884806"	106.953857333333	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-3H"	-3.021828
"15473"	322.876124	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M-2H"	-2.014552
"455317"	484.817824	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M-2H"	-2.014552
"829505"	160.934424	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-2H"	-2.014552
"89496"	646.759524	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M-H"	-1.007276
"530148"	970.642924	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M-H"	-1.007276
"903573"	322.876124	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-H"	-1.007276
"52479"	663.786071	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M-2H+NH4"	16.019271
"490581"	987.669471	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M-2H+NH4"	16.019271
"870939"	339.902671	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-2H+NH4"	16.019271
"39930"	668.741466	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M-2H+Na"	20.974666
"475481"	992.624866	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M-2H+Na"	20.974666
"852189"	344.858066	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-2H+Na"	20.974666
"1623543"	344.858066	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Na-2H"	20.974666
"97520"	340.864463	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M-H+Cl"	33.962126
"539632"	502.806163	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M-H+Cl"	33.962126
"932059"	178.922763	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-H+Cl"	33.962126
"272804"	682.736202	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+Cl"	34.969402
"664131"	1006.619602	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+Cl"	34.969402
"1287242"	358.852802	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Cl"	34.969402
"30781"	684.715406	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M-2H+K"	36.948606
"470218"	1008.598806	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M-2H+K"	36.948606
"847294"	360.832006	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-2H+K"	36.948606
"1569075"	360.832006	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+K-2H"	36.948606
"955868"	368.881594	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-H+HCOOH"	44.998194
"372259"	692.765001	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+HCOOH-H"	44.998201
"352132"	706.780651	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+Hac-H"	59.013851
"1503881"	382.897251	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Hac-H"	59.013851
"964131"	390.863551	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-H+NaCOOH"	66.980151
"116320"	358.852802	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+2Cl"	69.938804
"564999"	520.794502	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+2Cl"	69.938804
"1035863"	196.911102	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2Cl"	69.938804
"1255197"	402.802285	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Br"	78.918885
"1319514"	404.858272	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Cl+HCOOH"	80.974872
"1335349"	426.840229	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Cl+NaCOOH"	102.956829
"926773"	436.868986	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M-H+CF3COOH"	112.985586
"1301819"	472.845664	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Cl+CF3COOH"	148.962264
"1380952"	288.870724	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H-2H2O"	-35.012676
"1394196"	306.8807	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H-H2O"	-17.0027
"296798"	648.774076	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+H"	1.007276
"689465"	972.657476	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+H"	1.007276
"1364841"	324.890676	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H"	1.007276
"138823"	324.890676	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+2H"	2.014552
"580452"	486.832376	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+2H"	2.014552
"1040627"	162.948976	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2H"	2.014552
"215088"	216.929542666667	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+3H"	3.021828
"654648"	324.890676	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+3H"	3.021828
"1172773"	108.968409333333	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+3H"	3.021828
"428755"	665.800623	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+NH4"	18.033823
"791574"	989.684023	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+NH4"	18.033823
"1690094"	341.917223	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+NH4"	18.033823
"340561"	333.4039495	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+H+NH4"	19.041099
"737602"	495.3456495	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+H+NH4"	19.041099
"1491176"	171.4622495	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H+NH4"	19.041099
"404388"	670.756018	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+Na"	22.989218
"759914"	994.639418	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+Na"	22.989218
"1609106"	346.872618	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Na"	22.989218
"324613"	335.881647	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+H+Na"	23.996494
"721900"	497.823347	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+H+Na"	23.996494
"1476085"	173.939947	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H+Na"	23.996494
"1066181"	116.295723333333	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2H+Na"	25.00377
"1271017"	356.916886	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+CH3OH+H"	33.033486
"390563"	686.729958	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+K"	38.963158
"751554"	1010.613358	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+K"	38.963158
"1550693"	362.846558	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+K"	38.963158
"312610"	343.868617	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+H+K"	39.970434
"700292"	505.810317	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+H+K"	39.970434
"1450831"	181.926917	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H+K"	39.970434
"242713"	689.800626	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+ACN+H"	42.033826
"1216515"	365.917226	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+ACN+H"	42.033826
"1202585"	183.462251	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+ACN+2H"	43.041102
"194361"	692.73796	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+2Na-H"	44.97116
"633922"	1016.62136	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+2Na-H"	44.97116
"1134509"	368.85456	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2Na-H"	44.97116
"179625"	346.872618	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+2Na"	45.978436
"616632"	508.814318	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+2Na"	45.978436
"1120137"	184.930918	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2Na"	45.978436
"1406216"	123.623037333333	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H+2Na"	46.985712
"1437239"	370.896146	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H+HCOOH"	47.012746
"228755"	351.90564	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+3H2O+2H"	56.04448
"1513171"	384.94819	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+IsoProp+H"	61.06479
"412857"	354.859588	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+Na+K"	61.952376
"775311"	516.801288	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+Na+K"	61.952376
"1673100"	192.917888	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Na+K"	61.952376
"256339"	711.782568	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+ACN+Na"	64.015768
"1239629"	387.899168	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+ACN+Na"	64.015768
"1724873"	387.922693	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+NH4+HCOOH"	64.039293
"1190950"	130.950351333333	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+3Na"	68.967654
"1663398"	392.878088	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Na+HCOOH"	68.994688
"169172"	724.68584	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+2K-H"	76.91904
"609827"	1048.56924	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+2K-H"	76.91904
"1097618"	400.80244	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2K-H"	76.91904
"154066"	362.846558	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"2M+2K"	77.926316
"591445"	524.788258	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"3M+2K"	77.926316
"1079238"	200.904858	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2K"	77.926316
"1111716"	402.816992	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2K+H"	78.933592
"1347370"	402.904607	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+DMSO+H"	79.021207
"1014076"	406.943776	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2ACN+H"	83.060376
"1536941"	407.937408	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+IsoProp+Na+H"	84.054008
"1003631"	203.975526	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+2ACN+2H"	84.067652
"1601170"	408.852028	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+K+HCOOH"	84.968628
"1427925"	438.883538	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+H+CF3COOH"	115.000138
"1157849"	224.488801	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+3ACN+2H"	125.094202
"1705215"	455.910085	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+NH4+CF3COOH"	132.026685
"1648155"	460.86548	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+Na+CF3COOH"	136.98208
"1581980"	476.83942	"C14365"	"23345-Pentachlorobiphenyl;PCB 106"	"C12H5Cl5"	"323.8834"	"M+K+CF3COOH"	152.95602
"805784"	323.8834	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M"	0
"974940"	304.86501	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-H2O-H"	-19.01839
"64272"	214.914990666667	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M-3H"	-3.021828
"506019"	322.876124	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M-3H"	-3.021828
"882727"	106.953857333333	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-3H"	-3.021828
"15521"	322.876124	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M-2H"	-2.014552
"452908"	484.817824	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M-2H"	-2.014552
"825241"	160.934424	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-2H"	-2.014552
"88513"	646.759524	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M-H"	-1.007276
"525884"	970.642924	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M-H"	-1.007276
"900403"	322.876124	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-H"	-1.007276
"53682"	663.786071	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M-2H+NH4"	16.019271
"490691"	987.669471	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M-2H+NH4"	16.019271
"869954"	339.902671	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-2H+NH4"	16.019271
"36760"	668.741466	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M-2H+Na"	20.974666
"474495"	992.624866	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M-2H+Na"	20.974666
"849052"	344.858066	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-2H+Na"	20.974666
"1620367"	344.858066	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Na-2H"	20.974666
"95068"	340.864463	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M-H+Cl"	33.962126
"534873"	502.806163	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M-H+Cl"	33.962126
"932169"	178.922763	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-H+Cl"	33.962126
"272912"	682.736202	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+Cl"	34.969402
"661322"	1006.619602	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+Cl"	34.969402
"1288202"	358.852802	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Cl"	34.969402
"30768"	684.715406	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M-2H+K"	36.948606
"470332"	1008.598806	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M-2H+K"	36.948606
"847762"	360.832006	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-2H+K"	36.948606
"1569549"	360.832006	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+K-2H"	36.948606
"954884"	368.881594	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-H+HCOOH"	44.998194
"374922"	692.765001	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+HCOOH-H"	44.998201
"351149"	706.780651	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+Hac-H"	59.013851
"1504355"	382.897251	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Hac-H"	59.013851
"964241"	390.863551	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-H+NaCOOH"	66.980151
"115337"	358.852802	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+2Cl"	69.938804
"564013"	520.794502	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+2Cl"	69.938804
"1035365"	196.911102	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2Cl"	69.938804
"1255184"	402.802285	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Br"	78.918885
"1318971"	404.858272	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Cl+HCOOH"	80.974872
"1335502"	426.840229	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Cl+NaCOOH"	102.956829
"925467"	436.868986	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M-H+CF3COOH"	112.985586
"1301931"	472.845664	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Cl+CF3COOH"	148.962264
"1382729"	288.870724	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H-2H2O"	-35.012676
"1396493"	306.8807	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H-H2O"	-17.0027
"296178"	648.774076	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+H"	1.007276
"691199"	972.657476	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+H"	1.007276
"1366044"	324.890676	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H"	1.007276
"138933"	324.890676	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+2H"	2.014552
"580685"	486.832376	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+2H"	2.014552
"1040005"	162.948976	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2H"	2.014552
"214104"	216.929542666667	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+3H"	3.021828
"656945"	324.890676	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+3H"	3.021828
"1172883"	108.968409333333	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+3H"	3.021828
"431781"	665.800623	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+NH4"	18.033823
"790590"	989.684023	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+NH4"	18.033823
"1686194"	341.917223	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+NH4"	18.033823
"335201"	333.4039495	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+H+NH4"	19.041099
"736374"	495.3456495	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+H+NH4"	19.041099
"1484725"	171.4622495	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H+NH4"	19.041099
"400123"	670.756018	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+Na"	22.989218
"765493"	994.639418	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+Na"	22.989218
"1609216"	346.872618	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Na"	22.989218
"323630"	335.881647	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+H+Na"	23.996494
"721522"	497.823347	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+H+Na"	23.996494
"1476436"	173.939947	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H+Na"	23.996494
"1067379"	116.295723333333	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2H+Na"	25.00377
"1271612"	356.916886	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+CH3OH+H"	33.033486
"391767"	686.729958	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+K"	38.963158
"752026"	1010.613358	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+K"	38.963158
"1549711"	362.846558	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+K"	38.963158
"311992"	343.868617	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+H+K"	39.970434
"698215"	505.810317	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+H+K"	39.970434
"1449847"	181.926917	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H+K"	39.970434
"245010"	689.800626	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+ACN+H"	42.033826
"1219905"	365.917226	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+ACN+H"	42.033826
"1204882"	183.462251	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+ACN+2H"	43.041102
"196659"	692.73796	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+2Na-H"	44.97116
"634760"	1016.62136	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+2Na-H"	44.97116
"1133525"	368.85456	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2Na-H"	44.97116
"180099"	346.872618	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+2Na"	45.978436
"614919"	508.814318	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+2Na"	45.978436
"1116967"	184.930918	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2Na"	45.978436
"1404139"	123.623037333333	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H+2Na"	46.985712
"1438442"	370.896146	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H+HCOOH"	47.012746
"225949"	351.90564	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+3H2O+2H"	56.04448
"1511824"	384.94819	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+IsoProp+H"	61.06479
"412237"	354.859588	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+Na+K"	61.952376
"775785"	516.801288	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+Na+K"	61.952376
"1673210"	192.917888	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Na+K"	61.952376
"257542"	711.782568	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+ACN+Na"	64.015768
"1239375"	387.899168	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+ACN+Na"	64.015768
"1725348"	387.922693	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+NH4+HCOOH"	64.039293
"1189967"	130.950351333333	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+3Na"	68.967654
"1663144"	392.878088	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Na+HCOOH"	68.994688
"170011"	724.68584	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+2K-H"	76.91904
"610299"	1048.56924	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+2K-H"	76.91904
"1098328"	400.80244	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2K-H"	76.91904
"154542"	362.846558	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"2M+2K"	77.926316
"593985"	524.788258	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"3M+2K"	77.926316
"1080077"	200.904858	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2K"	77.926316
"1114010"	402.816992	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2K+H"	78.933592
"1347843"	402.904607	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+DMSO+H"	79.021207
"1013092"	406.943776	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2ACN+H"	83.060376
"1535591"	407.937408	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+IsoProp+Na+H"	84.054008
"1004226"	203.975526	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+2ACN+2H"	84.067652
"1600914"	408.852028	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+K+HCOOH"	84.968628
"1428764"	438.883538	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+H+CF3COOH"	115.000138
"1156865"	224.488801	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+3ACN+2H"	125.094202
"1705325"	455.910085	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+NH4+CF3COOH"	132.026685
"1648629"	460.86548	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+Na+CF3COOH"	136.98208
"1582090"	476.83942	"C14366"	"23456-Pentachlorobiphenyl;PCB 116"	"C12H5Cl5"	"323.8834"	"M+K+CF3COOH"	152.95602
"801618"	357.8444	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M"	0
"974599"	338.82601	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"63161"	237.555657333333	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"503293"	356.837124	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"880651"	118.274190666667	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"9084"	356.837124	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"450830"	535.759324	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"825351"	177.914924	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"85341"	714.681524	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"522714"	1072.525924	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"900513"	356.837124	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"52698"	731.708071	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"492259"	1089.552471	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"870064"	373.863671	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"34315"	736.663466	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"473143"	1094.507866	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"851672"	378.819066	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1620114"	378.819066	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"96280"	374.825463	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"534743"	553.747663	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"928998"	195.903263	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"267388"	750.658202	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"660702"	1108.502602	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1287947"	392.813802	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"31303"	752.637406	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"470798"	1110.481806	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"847627"	394.793006	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1563462"	394.793006	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"950255"	402.842594	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"362994"	760.687001	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"347975"	774.702651	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1495711"	416.858251	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"961433"	424.824551	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"117632"	392.813802	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"559747"	571.736002	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1025994"	213.891602	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1249946"	436.763285	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1318959"	438.819272	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1331718"	460.801229	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"924236"	470.829986	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1302040"	506.806664	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1379106"	322.831724	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1388948"	340.8417	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"288633"	716.696076	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"690535"	1074.540476	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1362872"	358.851676	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"135762"	358.851676	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"580307"	537.773876	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1044127"	179.929476	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"207651"	239.570209333333	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"647577"	358.851676	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1166796"	120.288742666667	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"424264"	733.722623	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"787050"	1091.567023	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1681395"	375.878223	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"330090"	367.3649495	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"722802"	546.2871495	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1478024"	188.4427495	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"394396"	738.678018	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"756485"	1096.522418	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1602851"	380.833618	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"314609"	369.842647	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"715066"	548.764847	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1472171"	190.920447	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1068141"	127.616056666667	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1271843"	390.877886	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"391871"	754.651958	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"751043"	1112.496358	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1553466"	396.807558	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"313194"	377.829617	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"699417"	556.751817	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1448865"	198.907417	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"247308"	757.722626	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1220015"	399.878226	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1204992"	200.442751	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"200050"	760.65996	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"638515"	1118.50436	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1137281"	402.81556	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"180938"	380.833618	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"619768"	559.755818	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1119264"	201.911418	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1406436"	134.943370666667	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1438552"	404.857146	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"226423"	385.86664	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1512662"	418.90919	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"412711"	388.820588	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"775895"	567.742788	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1671133"	209.898388	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"257652"	779.704568	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1238754"	421.860168	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1726546"	421.883693	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1190077"	142.270684666667	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1664345"	426.839088	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"171822"	792.60784	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"611988"	1150.45224	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1096372"	434.76344	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"156108"	396.807558	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"596037"	575.729758	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1083099"	217.885358	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1114605"	436.777992	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1348319"	436.865607	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1014295"	440.904776	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1535700"	441.898408	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"1003609"	220.956026	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1601753"	442.813028	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1428144"	472.844538	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1156975"	241.469301	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1710901"	489.871085	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1647646"	494.82648	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1582200"	510.80042	"C14367"	"223355-Hexachlorobiphenyl;PCB 133"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"802114"	493.6885	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M"	0
"974630"	474.67011	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-H2O-H"	-19.01839
"65585"	328.118390666667	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M-3H"	-3.021828
"505510"	492.681224	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M-3H"	-3.021828
"881126"	163.555557333333	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-3H"	-3.021828
"9193"	492.681224	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M-2H"	-2.014552
"448754"	739.525474	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M-2H"	-2.014552
"822181"	245.836974	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-2H"	-2.014552
"79133"	986.369724	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M-H"	-1.007276
"522824"	1480.058224	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M-H"	-1.007276
"899530"	492.681224	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-H"	-1.007276
"52808"	1003.396271	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M-2H+NH4"	16.019271
"491276"	1497.084771	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M-2H+NH4"	16.019271
"870172"	509.707771	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-2H+NH4"	16.019271
"34061"	1008.351666	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M-2H+Na"	20.974666
"474345"	1502.040166	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M-2H+Na"	20.974666
"851782"	514.663166	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-2H+Na"	20.974666
"1620221"	514.663166	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Na-2H"	20.974666
"97117"	510.669563	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M-H+Cl"	33.962126
"534855"	757.513813	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M-H+Cl"	33.962126
"927121"	263.825313	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-H+Cl"	33.962126
"267248"	1022.346402	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+Cl"	34.969402
"660443"	1516.034902	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+Cl"	34.969402
"1287976"	528.657902	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Cl"	34.969402
"30984"	1024.325606	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M-2H+K"	36.948606
"471218"	1518.014106	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M-2H+K"	36.948606
"846643"	530.637106	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-2H+K"	36.948606
"1562477"	530.637106	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+K-2H"	36.948606
"953645"	538.686694	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-H+HCOOH"	44.998194
"362496"	1032.375201	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+HCOOH-H"	44.998201
"347717"	1046.390851	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+Hac-H"	59.013851
"1495821"	552.702351	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Hac-H"	59.013851
"961543"	560.668651	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-H+NaCOOH"	66.980151
"113368"	528.657902	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+2Cl"	69.938804
"553294"	775.502152	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+2Cl"	69.938804
"1022822"	281.813652	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2Cl"	69.938804
"1247869"	572.607385	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Br"	78.918885
"1319069"	574.663372	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Cl+HCOOH"	80.974872
"1331098"	596.645329	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Cl+NaCOOH"	102.956829
"924346"	606.674086	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M-H+CF3COOH"	112.985586
"1303772"	642.650764	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Cl+CF3COOH"	148.962264
"1379216"	458.675824	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H-2H2O"	-35.012676
"1389058"	476.6858	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H-H2O"	-17.0027
"288743"	988.384276	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+H"	1.007276
"690887"	1482.072776	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+H"	1.007276
"1362982"	494.695776	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H"	1.007276
"132592"	494.695776	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+2H"	2.014552
"581072"	741.540026	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+2H"	2.014552
"1048611"	247.851526	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2H"	2.014552
"211042"	330.132942666667	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+3H"	3.021828
"648416"	494.695776	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+3H"	3.021828
"1169821"	165.570109333333	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+3H"	3.021828
"427991"	1005.410823	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+NH4"	18.033823
"787161"	1499.099323	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+NH4"	18.033823
"1681625"	511.722323	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+NH4"	18.033823
"330390"	503.2090495	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+H+NH4"	19.041099
"723583"	750.0532995	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+H+NH4"	19.041099
"1477649"	256.3647995	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H+NH4"	19.041099
"394506"	1010.366218	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+Na"	22.989218
"756595"	1504.054718	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+Na"	22.989218
"1603231"	516.677718	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Na"	22.989218
"315812"	505.686747	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+H+Na"	23.996494
"711895"	752.530997	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+H+Na"	23.996494
"1473374"	258.842497	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H+Na"	23.996494
"1066627"	172.897423333333	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2H+Na"	25.00377
"1271588"	526.721986	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+CH3OH+H"	33.033486
"391253"	1026.340158	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+K"	38.963158
"751518"	1520.028658	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+K"	38.963158
"1553577"	532.651658	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+K"	38.963158
"313548"	513.673717	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+H+K"	39.970434
"699527"	760.517967	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+H+K"	39.970434
"1453348"	266.829467	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H+K"	39.970434
"248146"	1029.410826	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+ACN+H"	42.033826
"1216845"	535.722326	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+ACN+H"	42.033826
"1205102"	268.364801	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+ACN+2H"	43.041102
"199067"	1032.34816	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+2Na-H"	44.97116
"635709"	1526.03666	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+2Na-H"	44.97116
"1135933"	538.65966	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2Na-H"	44.97116
"181048"	516.677718	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+2Na"	45.978436
"616962"	763.521968	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+2Na"	45.978436
"1117187"	269.833468	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2Na"	45.978436
"1406545"	180.224737333333	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H+2Na"	46.985712
"1436475"	540.701246	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H+HCOOH"	47.012746
"224710"	521.71074	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+3H2O+2H"	56.04448
"1512043"	554.75329	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+IsoProp+H"	61.06479
"412822"	524.664688	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+Na+K"	61.952376
"773817"	771.508938	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+Na+K"	61.952376
"1674523"	277.820438	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Na+K"	61.952376
"257762"	1051.392768	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+ACN+Na"	64.015768
"1235945"	557.704268	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+ACN+Na"	64.015768
"1724833"	557.727793	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+NH4+HCOOH"	64.039293
"1185812"	187.552051333333	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+3Na"	68.967654
"1662632"	562.683188	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Na+HCOOH"	68.994688
"171683"	1064.29604	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+2K-H"	76.91904
"611973"	1557.98454	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+2K-H"	76.91904
"1096482"	570.60754	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2K-H"	76.91904
"154392"	532.651658	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"2M+2K"	77.926316
"594320"	779.495908	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"3M+2K"	77.926316
"1081384"	285.807408	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2K"	77.926316
"1113864"	572.622092	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2K+H"	78.933592
"1350127"	572.709707	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+DMSO+H"	79.021207
"1019508"	576.748876	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2ACN+H"	83.060376
"1537636"	577.742508	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+IsoProp+Na+H"	84.054008
"1004083"	288.878076	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+2ACN+2H"	84.067652
"1600770"	578.657128	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+K+HCOOH"	84.968628
"1428618"	608.688638	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+H+CF3COOH"	115.000138
"1154898"	309.391351	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+3ACN+2H"	125.094202
"1711011"	625.715185	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+NH4+CF3COOH"	132.026685
"1649214"	630.67058	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+Na+CF3COOH"	136.98208
"1582310"	646.64452	"C14368"	"Decachlorobiphenyl;PCB 209"	"C12Cl10"	"493.6885"	"M+K+CF3COOH"	152.95602
"806113"	357.8444	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M"	0
"979645"	338.82601	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"68976"	237.555657333333	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"509631"	356.837124	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"883423"	118.274190666667	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"9304"	356.837124	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"448864"	535.759324	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"823385"	177.914924	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"82281"	714.681524	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"522934"	1072.525924	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"898547"	356.837124	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"50732"	731.708071	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"493573"	1089.552471	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"868096"	373.863671	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"34900"	736.663466	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"475551"	1094.507866	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"852260"	378.819066	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1620702"	378.819066	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"102697"	374.825463	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"535940"	553.747663	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"928243"	195.903263	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"271054"	750.658202	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"661652"	1108.502602	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1287441"	392.813802	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"30366"	752.637406	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"470656"	1110.481806	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"847729"	394.793006	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1568054"	394.793006	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"953390"	402.842594	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"369783"	760.687001	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"347464"	774.702651	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1495567"	416.858251	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"961653"	424.824551	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"112749"	392.813802	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"551947"	571.736002	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1023296"	213.891602	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1246886"	436.763285	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1313708"	438.819272	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1332303"	460.801229	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"925188"	470.829986	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1302991"	506.806664	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1380787"	322.831724	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1397187"	340.8417	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"291040"	716.696076	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"690025"	1074.540476	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1366373"	358.851676	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"132702"	358.851676	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"574451"	537.773876	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1047627"	179.929476	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"213340"	239.570209333333	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"650714"	358.851676	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1171025"	120.288742666667	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"432111"	733.722623	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"787271"	1091.567023	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1683967"	375.878223	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"331881"	367.3649495	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"724671"	546.2871495	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1478489"	188.4427495	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"396804"	738.678018	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"756705"	1096.522418	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1605898"	380.833618	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"314592"	369.842647	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"712005"	548.764847	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1475428"	190.920447	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1064914"	127.616056666667	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1269873"	390.877886	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"389542"	754.651958	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"751628"	1112.496358	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1554050"	396.807558	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"314202"	377.829617	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"703283"	556.751817	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1458925"	198.907417	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"246433"	757.722626	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1218048"	399.878226	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1196098"	200.442751	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"192616"	760.65996	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"633267"	1118.50436	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1136774"	402.81556	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"178972"	380.833618	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"620720"	559.755818	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1121309"	201.911418	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1404470"	134.943370666667	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1437678"	404.857146	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"227373"	385.86664	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1516528"	418.90919	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"412567"	388.820588	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"771375"	567.742788	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1674633"	209.898388	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"260060"	779.704568	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1237152"	421.860168	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1722755"	421.883693	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1188842"	142.270684666667	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1660194"	426.839088	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"170705"	792.60784	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"611355"	1150.45224	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1095500"	434.76344	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"153774"	396.807558	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"592972"	575.729758	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1082225"	217.885358	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1112151"	436.777992	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1347806"	436.865607	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1017068"	440.904776	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1536287"	441.898408	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"1003343"	220.956026	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1600882"	442.813028	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1428001"	472.844538	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1152822"	241.469301	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1711121"	489.871085	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1648961"	494.82648	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1582420"	510.80042	"C14369"	"223366-Hexachlorobiphenyl;PCB 136"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"804036"	237.9952	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M"	0
"975376"	218.97681	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-H2O-H"	-19.01839
"67992"	157.656190666667	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M-3H"	-3.021828
"505367"	236.987924	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M-3H"	-3.021828
"882075"	78.3244573333333	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-3H"	-3.021828
"7227"	236.987924	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M-2H"	-2.014552
"447881"	355.985524	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M-2H"	-2.014552
"825681"	117.990324	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-2H"	-2.014552
"82391"	474.983124	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M-H"	-1.007276
"523044"	712.978324	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M-H"	-1.007276
"898777"	236.987924	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-H"	-1.007276
"50113"	492.009671	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M-2H+NH4"	16.019271
"494776"	730.004871	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M-2H+NH4"	16.019271
"870392"	254.014471	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-2H+NH4"	16.019271
"35374"	496.965066	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M-2H+Na"	20.974666
"480033"	734.960266	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M-2H+Na"	20.974666
"854557"	258.969866	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-2H+Na"	20.974666
"1627372"	258.969866	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Na-2H"	20.974666
"102807"	254.976263	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M-H+Cl"	33.962126
"540182"	373.973863	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M-H+Cl"	33.962126
"933695"	135.978663	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-H+Cl"	33.962126
"276626"	510.959802	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+Cl"	34.969402
"667954"	748.955002	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+Cl"	34.969402
"1281464"	272.964602	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Cl"	34.969402
"30963"	512.939006	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M-2H+K"	36.948606
"470892"	750.934206	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M-2H+K"	36.948606
"847587"	274.943806	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-2H+K"	36.948606
"1569257"	274.943806	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+K-2H"	36.948606
"957505"	282.993394	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-H+HCOOH"	44.998194
"365519"	520.988601	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+HCOOH-H"	44.998201
"347574"	535.004251	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+Hac-H"	59.013851
"1498229"	297.009051	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Hac-H"	59.013851
"962490"	304.975351	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-H+NaCOOH"	66.980151
"115774"	272.964602	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+2Cl"	69.938804
"553876"	391.962202	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+2Cl"	69.938804
"1023041"	153.967002	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2Cl"	69.938804
"1246996"	316.914085	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Br"	78.918885
"1313818"	318.970072	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Cl+HCOOH"	80.974872
"1330224"	340.952029	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Cl+NaCOOH"	102.956829
"920193"	350.980786	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M-H+CF3COOH"	112.985586
"1303096"	386.957464	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Cl+CF3COOH"	148.962264
"1380528"	202.982524	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H-2H2O"	-35.012676
"1394745"	220.9925	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H-H2O"	-17.0027
"291151"	476.997676	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+H"	1.007276
"688676"	714.992876	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+H"	1.007276
"1361016"	239.002476	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H"	1.007276
"132811"	239.002476	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+2H"	2.014552
"573465"	358.000076	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+2H"	2.014552
"1049921"	120.004876	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2H"	2.014552
"211628"	159.670742666667	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+3H"	3.021828
"654103"	239.002476	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+3H"	3.021828
"1173321"	80.3390093333333	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+3H"	3.021828
"434407"	494.024223	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+NH4"	18.033823
"789204"	732.019423	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+NH4"	18.033823
"1685172"	256.029023	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+NH4"	18.033823
"332356"	247.5157495	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+H+NH4"	19.041099
"727332"	366.5133495	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+H+NH4"	19.041099
"1480058"	128.5181495	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H+NH4"	19.041099
"397279"	498.979618	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+Na"	22.989218
"757544"	736.974818	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+Na"	22.989218
"1606373"	260.984418	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Na"	22.989218
"316038"	249.993447	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+H+Na"	23.996494
"714301"	368.991047	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+H+Na"	23.996494
"1474687"	130.995847	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H+Na"	23.996494
"1065755"	87.6663233333333	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2H+Na"	25.00377
"1269623"	271.028686	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+CH3OH+H"	33.033486
"390746"	514.953558	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+K"	38.963158
"752468"	752.948758	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+K"	38.963158
"1554527"	276.958358	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+K"	38.963158
"312676"	257.980417	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+H+K"	39.970434
"703757"	376.978017	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+H+K"	39.970434
"1456848"	138.982817	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H+K"	39.970434
"245449"	518.024226	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+ACN+H"	42.033826
"1220344"	280.029026	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+ACN+H"	42.033826
"1198031"	140.518151	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+ACN+2H"	43.041102
"194912"	520.96156	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+2Na-H"	44.97116
"631554"	758.95676	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+2Na-H"	44.97116
"1137612"	282.96636	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2Na-H"	44.97116
"179446"	260.984418	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+2Na"	45.978436
"618643"	379.982018	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+2Na"	45.978436
"1121419"	141.986818	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2Na"	45.978436
"1404580"	94.9936373333333	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H+2Na"	46.985712
"1437788"	285.007946	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H+HCOOH"	47.012746
"228213"	266.01744	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+3H2O+2H"	56.04448
"1514451"	299.05999	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+H"	61.06479
"411949"	268.971388	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+Na+K"	61.952376
"774037"	387.968988	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+Na+K"	61.952376
"1673650"	149.973788	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Na+K"	61.952376
"256889"	540.006168	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+ACN+Na"	64.015768
"1237257"	302.010968	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+ACN+Na"	64.015768
"1723958"	302.034493	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+NH4+HCOOH"	64.039293
"1190774"	102.320951333333	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+3Na"	68.967654
"1661393"	306.989888	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Na+HCOOH"	68.994688
"168988"	552.90944	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+2K-H"	76.91904
"608547"	790.90464	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+2K-H"	76.91904
"1094515"	314.91424	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2K-H"	76.91904
"153154"	276.958358	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"2M+2K"	77.926316
"591985"	395.955958	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"3M+2K"	77.926316
"1081605"	157.960758	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2K"	77.926316
"1111896"	316.928792	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2K+H"	78.933592
"1347915"	317.016407	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+DMSO+H"	79.021207
"1016449"	321.055576	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2ACN+H"	83.060376
"1536031"	322.049208	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+Na+H"	84.054008
"1003571"	161.031426	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+2ACN+2H"	84.067652
"1598801"	322.963828	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+K+HCOOH"	84.968628
"1427016"	352.995338	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+H+CF3COOH"	115.000138
"1152932"	181.544701	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+3ACN+2H"	125.094202
"1707951"	370.021885	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+NH4+CF3COOH"	132.026685
"1649558"	374.97728	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+Na+CF3COOH"	136.98208
"1582530"	390.95122	"C14370"	"2-Hydroxy-35-dichlorobiphenyl;35-Dichloro-2-hydroxybiphenyl;24-Dichloro-6-phenylphenol"	"C12H8Cl2O"	"237.9952"	"M+K+CF3COOH"	152.95602
"804146"	237.9952	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M"	0
"975854"	218.97681	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H2O-H"	-19.01839
"70291"	157.656190666667	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-3H"	-3.021828
"513132"	236.987924	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-3H"	-3.021828
"884373"	78.3244573333333	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-3H"	-3.021828
"9525"	236.987924	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H"	-2.014552
"449084"	355.985524	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H"	-2.014552
"826884"	117.990324	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H"	-2.014552
"82501"	474.983124	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-H"	-1.007276
"524247"	712.978324	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-H"	-1.007276
"902046"	236.987924	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H"	-1.007276
"50223"	492.009671	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+NH4"	16.019271
"494887"	730.004871	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+NH4"	16.019271
"870503"	254.014471	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+NH4"	16.019271
"35484"	496.965066	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+Na"	20.974666
"476136"	734.960266	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+Na"	20.974666
"853575"	258.969866	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+Na"	20.974666
"1625294"	258.969866	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na-2H"	20.974666
"107292"	254.976263	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-H+Cl"	33.962126
"540293"	373.973863	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-H+Cl"	33.962126
"934901"	135.978663	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+Cl"	33.962126
"272728"	510.959802	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Cl"	34.969402
"665877"	748.955002	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Cl"	34.969402
"1282668"	272.964602	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl"	34.969402
"30949"	512.939006	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+K"	36.948606
"470997"	750.934206	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+K"	36.948606
"848235"	274.943806	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+K"	36.948606
"1567179"	274.943806	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K-2H"	36.948606
"954699"	282.993394	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+HCOOH"	44.998194
"371820"	520.988601	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+HCOOH-H"	44.998201
"350606"	535.004251	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Hac-H"	59.013851
"1500530"	297.009051	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Hac-H"	59.013851
"965882"	304.975351	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+NaCOOH"	66.980151
"114792"	272.964602	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Cl"	69.938804
"552166"	391.962202	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Cl"	69.938804
"1021813"	153.967002	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Cl"	69.938804
"1246013"	316.914085	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Br"	78.918885
"1312835"	318.970072	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+HCOOH"	80.974872
"1330334"	340.952029	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+NaCOOH"	102.956829
"922489"	350.980786	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+CF3COOH"	112.985586
"1303085"	386.957464	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+CF3COOH"	148.962264
"1380638"	202.982524	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H-2H2O"	-35.012676
"1395948"	220.9925	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H-H2O"	-17.0027
"296365"	476.997676	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H"	1.007276
"691059"	714.992876	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H"	1.007276
"1363313"	239.002476	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H"	1.007276
"139483"	239.002476	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2H"	2.014552
"573575"	358.000076	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2H"	2.014552
"1050031"	120.004876	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2H"	2.014552
"213562"	159.670742666667	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+3H"	3.021828
"649840"	239.002476	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+3H"	3.021828
"1170151"	80.3390093333333	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3H"	3.021828
"430143"	494.024223	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+NH4"	18.033823
"791138"	732.019423	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+NH4"	18.033823
"1687470"	256.029023	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4"	18.033823
"334656"	247.5157495	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+NH4"	19.041099
"730360"	366.5133495	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+NH4"	19.041099
"1485273"	128.5181495	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+NH4"	19.041099
"398484"	498.979618	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Na"	22.989218
"761666"	736.974818	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Na"	22.989218
"1609765"	260.984418	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na"	22.989218
"318705"	249.993447	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+Na"	23.996494
"718786"	368.991047	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+Na"	23.996494
"1473704"	130.995847	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+Na"	23.996494
"1066229"	87.6663233333333	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2H+Na"	25.00377
"1270826"	271.028686	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+CH3OH+H"	33.033486
"391588"	514.953558	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+K"	38.963158
"752213"	752.948758	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+K"	38.963158
"1555124"	276.958358	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K"	38.963158
"312788"	257.980417	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+K"	39.970434
"706058"	376.978017	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+K"	39.970434
"1458782"	138.982817	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+K"	39.970434
"244465"	518.024226	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+ACN+H"	42.033826
"1214259"	280.029026	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+H"	42.033826
"1199964"	140.518151	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+2H"	43.041102
"193563"	520.96156	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Na-H"	44.97116
"633853"	758.95676	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Na-H"	44.97116
"1136996"	282.96636	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Na-H"	44.97116
"183932"	260.984418	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Na"	45.978436
"622033"	379.982018	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Na"	45.978436
"1121165"	141.986818	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Na"	45.978436
"1412345"	94.9936373333333	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+2Na"	46.985712
"1439721"	285.007946	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+HCOOH"	47.012746
"231239"	266.01744	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+3H2O+2H"	56.04448
"1519664"	299.05999	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+H"	61.06479
"414245"	268.971388	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Na+K"	61.952376
"774147"	387.968988	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Na+K"	61.952376
"1671573"	149.973788	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+K"	61.952376
"256999"	540.006168	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+ACN+Na"	64.015768
"1238461"	302.010968	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+Na"	64.015768
"1722978"	302.034493	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4+HCOOH"	64.039293
"1188333"	102.320951333333	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3Na"	68.967654
"1661504"	306.989888	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+HCOOH"	68.994688
"168733"	552.90944	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2K-H"	76.91904
"607926"	790.90464	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2K-H"	76.91904
"1091708"	314.91424	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K-H"	76.91904
"152534"	276.958358	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2K"	77.926316
"591000"	395.955958	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2K"	77.926316
"1082081"	157.960758	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K"	77.926316
"1110912"	316.928792	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K+H"	78.933592
"1346202"	317.016407	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+DMSO+H"	79.021207
"1018017"	321.055576	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2ACN+H"	83.060376
"1535047"	322.049208	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+Na+H"	84.054008
"1002588"	161.031426	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2ACN+2H"	84.067652
"1599276"	322.963828	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K+HCOOH"	84.968628
"1422746"	352.995338	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+CF3COOH"	115.000138
"1149763"	181.544701	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3ACN+2H"	125.094202
"1710248"	370.021885	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4+CF3COOH"	132.026685
"1649545"	374.97728	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+CF3COOH"	136.98208
"1582640"	390.95122	"C14371"	"4-Hydroxy-35-dichlorobiphenyl;35-Dichloro-4-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K+CF3COOH"	152.95602
"803162"	339.8783	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M"	0
"974323"	320.85991	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"66028"	225.578257333333	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"505588"	338.871024	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"883388"	112.285490666667	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"10728"	338.871024	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"451380"	508.810174	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"825901"	168.931874	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"89171"	678.749324	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"527638"	1018.627624	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"905438"	338.871024	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"54344"	695.775871	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"497185"	1035.654171	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"870613"	355.897571	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"33044"	700.731266	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"472968"	1040.609566	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"850772"	360.852966	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1622126"	360.852966	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"97562"	356.859363	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"538216"	526.798513	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"932824"	186.920213	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"271381"	714.726002	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"662707"	1054.604302	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1281685"	374.847702	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"31358"	716.705206	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"471271"	1056.583506	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"848469"	376.826906	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1567291"	376.826906	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"955902"	384.876494	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"373387"	724.754801	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"351808"	738.770451	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1499547"	398.892151	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"964898"	406.858451	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"113808"	374.847702	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"552276"	544.786852	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1021799"	204.908552	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1246123"	418.797185	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1315863"	420.853172	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1327164"	442.835129	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"922599"	452.863886	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1297120"	488.840564	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1379289"	304.865624	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1393873"	322.8756	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"292466"	680.763876	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"688899"	1020.642176	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1363423"	340.885576	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"137408"	340.885576	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"575872"	510.824726	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1046861"	170.946426	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"212579"	227.592809333333	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"648857"	340.885576	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1168074"	114.300042666667	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"428430"	697.790423	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"792342"	1037.668723	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1688673"	357.912123	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"336952"	349.3988495	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"727190"	519.3379995	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1483196"	179.4596995	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"398594"	702.745818	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"760683"	1042.624118	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1609875"	362.867518	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"318815"	351.876547	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"717803"	521.815697	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1471628"	181.937397	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1062684"	121.627356666667	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1271666"	372.911786	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"390969"	718.719758	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"752323"	1058.598058	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1555480"	378.841458	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"313991"	359.863517	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"707076"	529.802667	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1458527"	189.924367	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"241295"	721.790426	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1212910"	381.912126	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1203355"	191.459701	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"191122"	724.72776	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"631047"	1064.60606	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1137105"	384.84946	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"184042"	362.867518	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"622143"	532.806668	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1119088"	192.928368	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1403706"	128.954670666667	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1436914"	386.891046	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"227702"	367.90054	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1517951"	400.94309	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"413262"	370.854488	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"774256"	540.793638	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1671683"	200.915338	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"256016"	743.772368	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1237478"	403.894068	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1722724"	403.917593	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1189534"	136.281984666667	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1656145"	408.872988	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"168112"	756.67564	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"605848"	1096.55394	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1092546"	416.79734	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"153737"	378.841458	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"591110"	548.780608	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1077810"	208.902308	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1108835"	418.811892	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1346312"	418.899507	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1018857"	422.938676	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1536859"	423.932308	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1002335"	211.972976	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1596106"	424.846928	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1419576"	454.878438	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1149873"	232.486251	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1712544"	471.904985	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1648199"	476.86038	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1582750"	492.83432	"C14372"	"2-Hydroxy-23455-pentachlorobiphenyl;23455-Pentachloro-2-hydroxybiphenyl"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"801369"	339.8783	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"974246"	320.85991	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"63951"	225.578257333333	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"503875"	338.871024	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"880381"	112.285490666667	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"12661"	338.871024	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"451490"	508.810174	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"827104"	168.931874	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"89281"	678.749324	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"529935"	1018.627624	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"903361"	338.871024	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"52631"	695.775871	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"496201"	1035.654171	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"867807"	355.897571	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"32181"	700.731266	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"472225"	1040.609566	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"849789"	360.852966	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1621143"	360.852966	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"95484"	356.859363	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"537232"	526.798513	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"935121"	186.920213	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"270397"	714.726002	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"665004"	1054.604302	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1281795"	374.847702	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"30927"	716.705206	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"470606"	1056.583506	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"848407"	376.826906	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1570678"	376.826906	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"957346"	384.876494	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"371310"	724.754801	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"353012"	738.770451	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1499657"	398.892151	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"965010"	406.858451	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"111855"	374.847702	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"552386"	544.786852	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1025561"	204.908552	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1248420"	418.797185	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1316337"	420.853172	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1330555"	442.835129	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"924895"	452.863886	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1300510"	488.840564	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1380856"	304.865624	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1395076"	322.8756	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"293670"	680.763876	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"690831"	1020.642176	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1362440"	340.885576	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"139704"	340.885576	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"570512"	510.824726	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1044783"	170.946426	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"213781"	227.592809333333	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"652247"	340.885576	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1171464"	114.300042666667	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"429270"	697.790423	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"791359"	1037.668723	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1687690"	357.912123	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"333782"	349.3988495	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"725113"	519.3379995	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1480026"	179.4596995	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"399797"	702.745818	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"760793"	1042.624118	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1609985"	362.867518	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"317465"	351.876547	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"714633"	521.815697	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1471738"	181.937397	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1063887"	121.627356666667	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1271407"	372.911786	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"391807"	718.719758	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"753734"	1058.598058	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1555342"	378.841458	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"314170"	359.863517	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"706887"	529.802667	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1461283"	189.924367	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"248332"	721.790426	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1223228"	381.912126	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1207840"	191.459701	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"197430"	724.72776	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"636990"	1064.60606	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1140496"	384.84946	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"176132"	362.867518	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"620066"	532.806668	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1119198"	192.928368	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1404909"	128.954670666667	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1439211"	386.891046	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"227812"	367.90054	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1518061"	400.94309	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"414466"	370.854488	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"773638"	540.793638	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1670700"	200.915338	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"257219"	743.772368	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1241113"	403.894068	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1724290"	403.917593	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1188553"	136.281984666667	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1657347"	408.872988	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"164209"	756.67564	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"607050"	1096.55394	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1092655"	416.79734	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"148379"	378.841458	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"589033"	548.780608	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1079013"	208.902308	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1110035"	418.811892	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1346422"	418.899507	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1018601"	422.938676	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1535997"	423.932308	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1002810"	211.972976	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1596215"	424.846928	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1420779"	454.878438	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1151076"	232.486251	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1712654"	471.904985	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1648673"	476.86038	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1582860"	492.83432	"C14373"	"4-Hydroxy-22345-pentachlorobiphenyl;22345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"801570"	339.8783	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"974637"	320.85991	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"64061"	225.578257333333	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"505806"	338.871024	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"880693"	112.285490666667	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"9856"	338.871024	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"449414"	508.810174	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"826121"	168.931874	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"89027"	678.749324	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"529681"	1018.627624	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"901285"	338.871024	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"51284"	695.775871	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"495218"	1035.654171	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"868646"	355.897571	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"32536"	700.731266	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"473306"	1040.609566	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"851722"	360.852966	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1619186"	360.852966	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"95595"	356.859363	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"536249"	526.798513	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"933044"	186.920213	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"267428"	714.726002	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"660741"	1054.604302	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1280809"	374.847702	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"30427"	716.705206	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"469860"	1056.583506	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"848271"	376.826906	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1566416"	376.826906	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"954298"	384.876494	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"364859"	724.754801	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"355308"	738.770451	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1500860"	398.892151	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"966213"	406.858451	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"115124"	374.847702	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"555776"	544.786852	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1025671"	204.908552	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1245250"	418.797185	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1316447"	420.853172	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1330665"	442.835129	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"923912"	452.863886	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1299527"	488.840564	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1380966"	304.865624	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1394092"	322.8756	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"290499"	680.763876	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"687296"	1020.642176	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1362550"	340.885576	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"138721"	340.885576	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"569529"	510.824726	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1041247"	170.946426	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"209515"	227.592809333333	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"651261"	340.885576	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1168294"	114.300042666667	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"429379"	697.790423	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"786039"	1037.668723	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1686706"	357.912123	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"337172"	349.3988495	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"727409"	519.3379995	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1482323"	179.4596995	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"397720"	702.745818	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"759809"	1042.624118	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1605721"	362.867518	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"316847"	351.876547	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"713648"	521.815697	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1472941"	181.937397	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1062904"	121.627356666667	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1270789"	372.911786	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"391917"	718.719758	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"753844"	1058.598058	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1555429"	378.841458	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"314048"	359.863517	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"706947"	529.802667	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1460656"	189.924367	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"247713"	721.790426	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1221151"	381.912126	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1205763"	191.459701	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"197539"	724.72776	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"638194"	1064.60606	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1140972"	384.84946	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"179522"	362.867518	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"623456"	532.806668	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1119308"	192.928368	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1405019"	128.954670666667	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1441144"	386.891046	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"227922"	367.90054	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1518171"	400.94309	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"414576"	370.854488	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"772291"	540.793638	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1669717"	200.915338	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"254049"	743.772368	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1236604"	403.894068	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1724398"	403.917593	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1188663"	136.281984666667	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1649928"	408.872988	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"164316"	756.67564	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"604972"	1096.55394	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1089485"	416.79734	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"143262"	378.841458	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"592423"	548.780608	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1078030"	208.902308	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1110144"	418.811892	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1347625"	418.899507	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1017983"	422.938676	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1537932"	423.932308	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1003285"	211.972976	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1595232"	424.846928	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1420889"	454.878438	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1153373"	232.486251	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1711671"	471.904985	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1649026"	476.86038	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1579690"	492.83432	"C14374"	"4-Hydroxy-22346-pentachlorobiphenyl;22346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"803493"	339.8783	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"975198"	320.85991	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"66357"	225.578257333333	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"507010"	338.871024	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"883719"	112.285490666667	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"11057"	338.871024	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"450617"	508.810174	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"826231"	168.931874	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"89501"	678.749324	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"529791"	1018.627624	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"902488"	338.871024	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"52487"	695.775871	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"493141"	1035.654171	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"868756"	355.897571	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"32888"	700.731266	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"473781"	1040.609566	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"850008"	360.852966	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1622456"	360.852966	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"97892"	356.859363	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"537452"	526.798513	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"933154"	186.920213	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"268428"	714.726002	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"661945"	1054.604302	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1280919"	374.847702	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"31365"	716.705206	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"470091"	1056.583506	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"848022"	376.826906	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1568710"	376.826906	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"956841"	384.876494	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"366062"	724.754801	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"354322"	738.770451	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1505343"	398.892151	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"970700"	406.858451	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"118513"	374.847702	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"553699"	544.786852	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1024688"	204.908552	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1246453"	418.797185	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1317650"	420.853172	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1328587"	442.835129	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"922928"	452.863886	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1299637"	488.840564	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1377797"	304.865624	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1390922"	322.8756	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"294982"	680.763876	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"686313"	1020.642176	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1360474"	340.885576	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"136645"	340.885576	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"571827"	510.824726	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1039535"	170.946426	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"210718"	227.592809333333	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"651371"	340.885576	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1168404"	114.300042666667	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"426574"	697.790423	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"786837"	1037.668723	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1685357"	357.912123	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"337282"	349.3988495	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"731892"	519.3379995	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1490089"	179.4596995	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"401111"	702.745818	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"762104"	1042.624118	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1608015"	362.867518	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"318055"	351.876547	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"711571"	521.815697	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1475237"	181.937397	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1063014"	121.627356666667	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1269442"	372.911786	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"391297"	718.719758	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"752415"	1058.598058	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1555406"	378.841458	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"313717"	359.863517	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"706789"	529.802667	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1460928"	189.924367	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"248189"	721.790426	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1215428"	381.912126	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1202592"	191.459701	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"199474"	724.72776	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"637211"	1064.60606	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1146311"	384.84946	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"186925"	362.867518	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"626119"	532.806668	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1122699"	192.928368	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1408410"	128.954670666667	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1442711"	386.891046	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"230219"	367.90054	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1515001"	400.94309	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"413592"	370.854488	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"772399"	540.793638	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1670190"	200.915338	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"257439"	743.772368	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1237080"	403.894068	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1722687"	403.917593	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1188045"	136.281984666667	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1651732"	408.872988	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"164426"	756.67564	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"607634"	1096.55394	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1089595"	416.79734	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"144588"	378.841458	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"592172"	548.780608	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1078508"	208.902308	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1109161"	418.811892	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1346645"	418.899507	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1020160"	422.938676	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1537681"	423.932308	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1004734"	211.972976	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1595342"	424.846928	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1420999"	454.878438	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1156763"	232.486251	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1710687"	471.904985	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1649136"	476.86038	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1579800"	492.83432	"C14375"	"4-Hydroxy-22356-pentachlorobiphenyl;22356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"803603"	305.9173	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M"	0
"974221"	286.89891	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H2O-H"	-19.01839
"65374"	202.937590666667	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-3H"	-3.021828
"504935"	304.910024	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-3H"	-3.021828
"881643"	100.965157333333	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-3H"	-3.021828
"10074"	304.910024	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H"	-2.014552
"450727"	457.868674	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H"	-2.014552
"823060"	151.951374	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H"	-2.014552
"86331"	610.827324	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-H"	-1.007276
"523704"	916.744624	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-H"	-1.007276
"904785"	304.910024	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H"	-1.007276
"51505"	627.853871	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+NH4"	16.019271
"491067"	933.771171	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+NH4"	16.019271
"869961"	321.936571	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+NH4"	16.019271
"31906"	632.809266	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+Na"	20.974666
"472073"	938.726566	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+Na"	20.974666
"850842"	326.891966	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+Na"	20.974666
"1621475"	326.891966	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na-2H"	20.974666
"95816"	322.898363	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-H+Cl"	33.962126
"536470"	475.857013	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-H+Cl"	33.962126
"931079"	169.939713	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+Cl"	33.962126
"268905"	646.804002	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Cl"	34.969402
"663149"	952.721302	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Cl"	34.969402
"1281029"	340.886702	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl"	34.969402
"30410"	648.783206	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+K"	36.948606
"469958"	954.700506	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+K"	36.948606
"848012"	342.865906	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+K"	36.948606
"1569914"	342.865906	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K-2H"	36.948606
"956343"	350.915494	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+HCOOH"	44.998194
"365079"	656.832801	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+HCOOH-H"	44.998201
"353339"	670.848451	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Hac-H"	59.013851
"1502173"	364.931151	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Hac-H"	59.013851
"971175"	372.897451	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+NaCOOH"	66.980151
"118623"	340.886702	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Cl"	69.938804
"552716"	493.845352	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Cl"	69.938804
"1025891"	187.928052	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Cl"	69.938804
"1245470"	384.836185	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Br"	78.918885
"1315572"	386.892172	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+HCOOH"	80.974872
"1328697"	408.874129	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+NaCOOH"	102.956829
"919758"	418.902886	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+CF3COOH"	112.985586
"1298652"	454.879564	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+CF3COOH"	148.962264
"1375720"	270.904624	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H-2H2O"	-35.012676
"1387752"	288.9146	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H-H2O"	-17.0027
"295092"	612.841876	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H"	1.007276
"684237"	918.759176	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H"	1.007276
"1360584"	306.924576	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H"	1.007276
"131288"	306.924576	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2H"	2.014552
"570843"	459.883226	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2H"	2.014552
"1039279"	153.965926	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2H"	2.014552
"207180"	204.952142666667	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+3H"	3.021828
"648927"	306.924576	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+3H"	3.021828
"1168513"	102.979709333333	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3H"	3.021828
"427410"	629.868423	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+NH4"	18.033823
"786457"	935.785723	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+NH4"	18.033823
"1682059"	323.951123	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4"	18.033823
"334473"	315.4378495	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+NH4"	19.041099
"727991"	468.3964995	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+NH4"	19.041099
"1484729"	162.4791995	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+NH4"	19.041099
"399033"	634.823818	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Na"	22.989218
"757109"	940.741118	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Na"	22.989218
"1606301"	328.906518	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na"	22.989218
"316701"	317.915547	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+Na"	23.996494
"711681"	470.874197	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+Na"	23.996494
"1475712"	164.956897	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+Na"	23.996494
"1063124"	110.307023333333	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2H+Na"	25.00377
"1270277"	338.950786	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+CH3OH+H"	33.033486
"391407"	650.797758	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+K"	38.963158
"753132"	956.715058	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+K"	38.963158
"1555071"	344.880458	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K"	38.963158
"313586"	325.902517	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+K"	39.970434
"706372"	478.861167	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+K"	39.970434
"1460676"	172.943867	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+K"	39.970434
"245382"	653.868426	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+ACN+H"	42.033826
"1215538"	347.951126	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+H"	42.033826
"1202702"	174.479201	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+2H"	43.041102
"199948"	656.80576	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Na-H"	44.97116
"637321"	962.72306	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Na-H"	44.97116
"1145931"	350.88846	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Na-H"	44.97116
"187035"	328.906518	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Na"	45.978436
"627690"	481.865168	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Na"	45.978436
"1122809"	175.947868	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Na"	45.978436
"1408520"	117.634337333333	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+2Na"	46.985712
"1442821"	352.930046	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+HCOOH"	47.012746
"233245"	333.93954	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+3H2O+2H"	56.04448
"1516204"	366.98209	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+H"	61.06479
"420263"	336.893488	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Na+K"	61.952376
"772146"	489.852138	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Na+K"	61.952376
"1669936"	183.934838	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+K"	61.952376
"254633"	675.850368	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+ACN+Na"	64.015768
"1238284"	369.933068	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+Na"	64.015768
"1724255"	369.956593	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4+HCOOH"	64.039293
"1186698"	124.961651333333	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3Na"	68.967654
"1652206"	374.911988	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+HCOOH"	68.994688
"161256"	688.75364	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2K-H"	76.91904
"608108"	994.67094	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2K-H"	76.91904
"1089704"	382.83634	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K-H"	76.91904
"145428"	344.880458	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2K"	77.926316
"591550"	497.839108	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2K"	77.926316
"1080073"	191.921808	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K"	77.926316
"1111458"	384.850892	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K+H"	78.933592
"1348578"	384.938507	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+DMSO+H"	79.021207
"1018202"	388.977676	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2ACN+H"	83.060376
"1533406"	389.971308	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+Na+H"	84.054008
"1003872"	194.992476	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2ACN+2H"	84.067652
"1597638"	390.885928	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K+HCOOH"	84.968628
"1421108"	420.917438	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+CF3COOH"	115.000138
"1161976"	215.505751	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3ACN+2H"	125.094202
"1710797"	437.943985	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4+CF3COOH"	132.026685
"1649569"	442.89938	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+CF3COOH"	136.98208
"1579910"	458.87332	"C14376"	"4-Hydroxy-2246-tetrachlorobiphenyl;2246-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K+CF3COOH"	152.95602
"801415"	339.8783	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M"	0
"974281"	320.85991	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"67671"	225.578257333333	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"506139"	338.871024	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"882846"	112.285490666667	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"14558"	338.871024	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"450838"	508.810174	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"826450"	168.931874	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"89721"	678.749324	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"527094"	1018.627624	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"906719"	338.871024	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"53803"	695.775871	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"488992"	1035.654171	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"872258"	355.897571	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"31895"	700.731266	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"471536"	1040.609566	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"848768"	360.852966	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1620493"	360.852966	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"98114"	356.859363	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"537674"	526.798513	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"934469"	186.920213	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"269744"	714.726002	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"669819"	1054.604302	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1281139"	374.847702	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"29893"	716.705206	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"466536"	1056.583506	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"847748"	376.826906	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1569296"	376.826906	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"957912"	384.876494	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"369563"	724.754801	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"354543"	738.770451	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1506656"	398.892151	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"969829"	406.858451	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"115453"	374.847702	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"553919"	544.786852	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1028188"	204.908552	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1247767"	418.797185	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1314589"	420.853172	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1328807"	442.835129	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"917679"	452.863886	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1297669"	488.840564	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1374736"	304.865624	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1390048"	322.8756	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"295200"	680.763876	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"688718"	1020.642176	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1363245"	340.885576	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"133582"	340.885576	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"569861"	510.824726	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1041213"	170.946426	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"210207"	227.592809333333	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"650498"	340.885576	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1169718"	114.300042666667	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"427886"	697.790423	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"787421"	1037.668723	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1683023"	357.912123	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"332030"	349.3988495	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"725912"	519.3379995	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1480098"	179.4596995	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"398050"	702.745818	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"757583"	1042.624118	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1606049"	362.867518	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"316085"	351.876547	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"715071"	521.815697	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1465611"	181.937397	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1059954"	121.627356666667	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1264914"	372.911786	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"390053"	718.719758	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"753234"	1058.598058	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1555133"	378.841458	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"313808"	359.863517	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"700513"	529.802667	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1459801"	189.924367	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"249866"	721.790426	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1221845"	381.912126	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1204998"	191.459701	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"198963"	724.72776	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"641804"	1064.60606	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1144946"	384.84946	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"186413"	362.867518	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"624880"	532.806668	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1124012"	192.928368	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1404619"	128.954670666667	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1437464"	386.891046	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"230438"	367.90054	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1511211"	400.94309	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"413812"	370.854488	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"772984"	540.793638	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1670411"	200.915338	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"256565"	743.772368	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1235841"	403.894068	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1721449"	403.917593	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1188264"	136.281984666667	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1654139"	408.872988	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"163553"	756.67564	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"606395"	1096.55394	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1095282"	416.79734	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"151005"	378.841458	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"593848"	548.780608	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1081643"	208.902308	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1114123"	418.811892	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1350632"	418.899507	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1019769"	422.938676	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1535703"	423.932308	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1005074"	211.972976	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1596655"	424.846928	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1423405"	454.878438	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1162452"	232.486251	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1709811"	471.904985	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1649112"	476.86038	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1580020"	492.83432	"C14377"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol;4-Hydroxy-PCB 106"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"804916"	339.8783	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"976261"	320.85991	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"66690"	225.578257333333	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"507344"	338.871024	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"887331"	112.285490666667	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"13574"	338.871024	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"446572"	508.810174	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"829843"	168.931874	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"88739"	678.749324	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"521009"	1018.627624	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"901725"	338.871024	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"48447"	695.775871	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"488248"	1035.654171	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"864508"	355.897571	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"31441"	700.731266	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"471515"	1040.609566	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"848748"	360.852966	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1620599"	360.852966	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"94414"	356.859363	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"534865"	526.798513	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"928139"	186.920213	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"268762"	714.726002	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"662276"	1054.604302	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1283438"	374.847702	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"28911"	716.705206	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"462273"	1056.583506	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"842627"	376.826906	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1571279"	376.826906	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"956928"	384.876494	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"371863"	724.754801	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"356475"	738.770451	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1506401"	398.892151	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"972848"	406.858451	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"124311"	374.847702	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"564843"	544.786852	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1028297"	204.908552	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1248970"	418.797185	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1315792"	420.853172	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1328917"	442.835129	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"917059"	452.863886	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1297779"	488.840564	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1374846"	304.865624	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1393438"	322.8756	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"297497"	680.763876	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"687734"	1020.642176	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1365176"	340.885576	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"133691"	340.885576	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"570335"	510.824726	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1045331"	170.946426	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"209224"	227.592809333333	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"652794"	340.885576	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1169827"	114.300042666667	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"426173"	697.790423	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"787166"	1037.668723	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1683863"	357.912123	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"331532"	349.3988495	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"726386"	519.3379995	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1482029"	179.4596995	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"395972"	702.745818	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"757329"	1042.624118	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1608347"	362.867518	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"316195"	351.876547	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"715181"	521.815697	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1470097"	181.937397	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1062251"	121.627356666667	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1266117"	372.911786	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"390891"	718.719758	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"753711"	1058.598058	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1555368"	378.841458	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"314212"	359.863517	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"699529"	529.802667	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1461237"	189.924367	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"250339"	721.790426	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1223777"	381.912126	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1204015"	191.459701	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"197978"	724.72776	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"643008"	1064.60606	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1142140"	384.84946	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"181056"	362.867518	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"626813"	532.806668	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1124122"	192.928368	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1407646"	128.954670666667	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1435752"	386.891046	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"227269"	367.90054	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1511321"	400.94309	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"412100"	370.854488	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"771637"	540.793638	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1667605"	200.915338	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"255581"	743.772368	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1235950"	403.894068	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1721558"	403.917593	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1189467"	136.281984666667	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1651333"	408.872988	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"162204"	756.67564	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"606505"	1096.55394	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1088466"	416.79734	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"148927"	378.841458	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"595903"	548.780608	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1081752"	208.902308	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1111681"	418.811892	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1350619"	418.899507	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1020891"	422.938676	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1535812"	423.932308	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1005507"	211.972976	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1600044"	424.846928	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1426796"	454.878438	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1158181"	232.486251	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1705544"	471.904985	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1649222"	476.86038	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1580130"	492.83432	"C14378"	"4-Hydroxy-23346-pentachlorobiphenyl;23346-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"801947"	339.8783	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"974829"	320.85991	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"64613"	225.578257333333	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"506360"	338.871024	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"883067"	112.285490666667	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"11497"	338.871024	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"443402"	508.810174	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"828859"	168.931874	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"87756"	678.749324	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"521119"	1018.627624	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"901835"	338.871024	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"49285"	695.775871	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"487991"	1035.654171	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"864578"	355.897571	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"32023"	700.731266	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"471711"	1040.609566	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"850810"	360.852966	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1619251"	360.852966	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"97238"	356.859363	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"534610"	526.798513	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"929585"	186.920213	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"268872"	714.726002	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"662750"	1054.604302	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1283548"	374.847702	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"30480"	716.705206	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"463476"	1056.583506	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"841278"	376.826906	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1570125"	376.826906	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"954851"	384.876494	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"371973"	724.754801	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"355492"	738.770451	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1504324"	398.892151	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"972230"	406.858451	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"122595"	374.847702	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"563617"	544.786852	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1025490"	204.908552	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1249080"	418.797185	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1314809"	420.853172	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1329027"	442.835129	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"916805"	452.863886	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1294609"	488.840564	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1374956"	304.865624	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1385894"	322.8756	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"292140"	680.763876	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"685656"	1020.642176	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1364192"	340.885576	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"132708"	340.885576	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"568621"	510.824726	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1044347"	170.946426	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"212250"	227.592809333333	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"650717"	340.885576	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1169937"	114.300042666667	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"425918"	697.790423	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"787277"	1037.668723	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1682879"	357.912123	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"331521"	349.3988495	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"726494"	519.3379995	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1479220"	179.4596995	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"396078"	702.745818	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"756708"	1042.624118	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1605903"	362.867518	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"316304"	351.876547	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"708719"	521.815697	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1465831"	181.937397	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1056888"	121.627356666667	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1260756"	372.911786	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"388081"	718.719758	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"749078"	1058.598058	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1554053"	378.841458	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"313416"	359.863517	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"701827"	529.802667	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1460392"	189.924367	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"250085"	721.790426	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1222793"	381.912126	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1203030"	191.459701	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"193714"	724.72776	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"642023"	1064.60606	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1142250"	384.84946	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"181166"	362.867518	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"625100"	532.806668	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1125325"	192.928368	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1408849"	128.954670666667	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1436955"	386.891046	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"228472"	367.90054	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1509972"	400.94309	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"413303"	370.854488	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"771018"	540.793638	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1668808"	200.915338	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"256784"	743.772368	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1236061"	403.894068	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1719842"	403.917593	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1188484"	136.281984666667	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1653265"	408.872988	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"160491"	756.67564	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"604428"	1096.55394	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1088940"	416.79734	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"149037"	378.841458	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"593704"	548.780608	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1078947"	208.902308	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1111791"	418.811892	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1350000"	418.899507	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1018893"	422.938676	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1532642"	423.932308	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1005050"	211.972976	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1597968"	424.846928	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1425813"	454.878438	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1157198"	232.486251	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1705654"	471.904985	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1649332"	476.86038	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1580240"	492.83432	"C14379"	"4-Hydroxy-23356-pentachlorobiphenyl;23356-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"810605"	305.9173	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M"	0
"976483"	286.89891	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H2O-H"	-19.01839
"65819"	202.937590666667	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-3H"	-3.021828
"507564"	304.910024	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-3H"	-3.021828
"883177"	100.965157333333	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-3H"	-3.021828
"11607"	304.910024	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H"	-2.014552
"450070"	457.868674	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H"	-2.014552
"824591"	151.951374	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H"	-2.014552
"85678"	610.827324	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-H"	-1.007276
"525238"	916.744624	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-H"	-1.007276
"899030"	304.910024	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H"	-1.007276
"50853"	627.853871	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+NH4"	16.019271
"491506"	933.771171	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+NH4"	16.019271
"866149"	321.936571	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+NH4"	16.019271
"32061"	632.809266	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+Na"	20.974666
"471903"	938.726566	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+Na"	20.974666
"850439"	326.891966	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+Na"	20.974666
"1620821"	326.891966	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na-2H"	20.974666
"101724"	322.898363	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-H+Cl"	33.962126
"541283"	475.857013	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-H+Cl"	33.962126
"929334"	169.939713	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+Cl"	33.962126
"272262"	646.804002	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Cl"	34.969402
"662500"	952.721302	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Cl"	34.969402
"1284753"	340.886702	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl"	34.969402
"26216"	648.783206	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+K"	36.948606
"468325"	954.700506	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+K"	36.948606
"843212"	342.865906	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+K"	36.948606
"1569994"	342.865906	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K-2H"	36.948606
"953869"	350.915494	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+HCOOH"	44.998194
"372083"	656.832801	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+HCOOH-H"	44.998201
"358155"	670.848451	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Hac-H"	59.013851
"1504800"	364.931151	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Hac-H"	59.013851
"971977"	372.897451	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+NaCOOH"	66.980151
"121976"	340.886702	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Cl"	69.938804
"564332"	493.845352	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Cl"	69.938804
"1026329"	187.928052	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Cl"	69.938804
"1244085"	384.836185	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Br"	78.918885
"1311637"	386.892172	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+HCOOH"	80.974872
"1328043"	408.874129	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+NaCOOH"	102.956829
"915822"	418.902886	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+CF3COOH"	112.985586
"1291800"	454.879564	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+CF3COOH"	148.962264
"1373972"	270.904624	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H-2H2O"	-35.012676
"1388189"	288.9146	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H-H2O"	-17.0027
"292250"	612.841876	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H"	1.007276
"687952"	918.759176	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H"	1.007276
"1365395"	306.924576	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H"	1.007276
"129902"	306.924576	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2H"	2.014552
"570190"	459.883226	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2H"	2.014552
"1045551"	153.965926	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2H"	2.014552
"215640"	204.952142666667	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+3H"	3.021828
"651555"	306.924576	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+3H"	3.021828
"1171141"	102.979709333333	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3H"	3.021828
"427121"	629.868423	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+NH4"	18.033823
"789208"	935.785723	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+NH4"	18.033823
"1683716"	323.951123	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4"	18.033823
"332358"	315.4378495	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+NH4"	19.041099
"724053"	468.3964995	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+NH4"	19.041099
"1479331"	162.4791995	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+NH4"	19.041099
"395460"	634.823818	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Na"	22.989218
"758280"	940.741118	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Na"	22.989218
"1606379"	328.906518	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na"	22.989218
"317144"	317.915547	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+Na"	23.996494
"710292"	470.874197	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+Na"	23.996494
"1465941"	164.956897	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+Na"	23.996494
"1056998"	110.307023333333	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2H+Na"	25.00377
"1259040"	338.950786	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+CH3OH+H"	33.033486
"389656"	650.797758	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+K"	38.963158
"750649"	956.715058	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+K"	38.963158
"1553799"	344.880458	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K"	38.963158
"310610"	325.902517	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+K"	39.970434
"705222"	478.861167	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+K"	39.970434
"1457587"	172.943867	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+K"	39.970434
"248009"	653.868426	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+ACN+H"	42.033826
"1223268"	347.951126	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+H"	42.033826
"1202047"	174.479201	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+2H"	43.041102
"197104"	656.80576	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Na-H"	44.97116
"642497"	962.72306	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Na-H"	44.97116
"1140172"	350.88846	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Na-H"	44.97116
"183463"	328.906518	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Na"	45.978436
"625210"	481.865168	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Na"	45.978436
"1125435"	175.947868	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Na"	45.978436
"1408959"	117.634337333333	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+2Na"	46.985712
"1437065"	352.930046	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+HCOOH"	47.012746
"224573"	333.93954	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+3H2O+2H"	56.04448
"1514092"	366.98209	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+H"	61.06479
"413778"	336.893488	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Na+K"	61.952376
"773680"	489.852138	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Na+K"	61.952376
"1670741"	183.934838	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+K"	61.952376
"257987"	675.850368	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+ACN+Na"	64.015768
"1235077"	369.933068	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+Na"	64.015768
"1718494"	369.956593	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4+HCOOH"	64.039293
"1188958"	124.961651333333	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3Na"	68.967654
"1651552"	374.911988	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+HCOOH"	68.994688
"159508"	688.75364	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2K-H"	76.91904
"605630"	994.67094	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2K-H"	76.91904
"1087955"	382.83634	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K-H"	76.91904
"144774"	344.880458	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2K"	77.926316
"588709"	497.839108	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2K"	77.926316
"1079785"	191.921808	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K"	77.926316
"1112630"	384.850892	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K+H"	78.933592
"1349744"	384.938507	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+DMSO+H"	79.021207
"1017909"	388.977676	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2ACN+H"	83.060376
"1534939"	389.971308	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+Na+H"	84.054008
"1005040"	194.992476	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2ACN+2H"	84.067652
"1596984"	390.885928	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K+HCOOH"	84.968628
"1422642"	420.917438	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+CF3COOH"	115.000138
"1159495"	215.505751	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3ACN+2H"	125.094202
"1703579"	437.943985	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4+CF3COOH"	132.026685
"1639230"	442.89938	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+CF3COOH"	136.98208
"1573788"	458.87332	"C14380"	"4-Hydroxy-2346-tetrachlorobiphenyl;2346-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K+CF3COOH"	152.95602
"804153"	339.8783	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"978779"	320.85991	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"68116"	225.578257333333	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"507673"	338.871024	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"883287"	112.285490666667	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"8437"	338.871024	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"452004"	508.810174	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"819599"	168.931874	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"87976"	678.749324	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"521703"	1018.627624	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"902057"	338.871024	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"50964"	695.775871	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"493804"	1035.654171	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"866380"	355.897571	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"32701"	700.731266	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"472139"	1040.609566	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"850670"	360.852966	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1624213"	360.852966	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"105114"	356.859363	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"543582"	526.798513	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"936004"	186.920213	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"273466"	714.726002	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"662608"	1054.604302	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1285592"	374.847702	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"27419"	716.705206	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"466613"	1056.583506	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"843686"	376.826906	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1567184"	376.826906	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"955070"	384.876494	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"373282"	724.754801	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"354982"	738.770451	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1503451"	398.892151	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"966978"	406.858451	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"115885"	374.847702	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"554350"	544.786852	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1025344"	204.908552	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1243829"	418.797185	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1306279"	420.853172	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1327058"	442.835129	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"914107"	452.863886	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1289722"	488.840564	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1367144"	304.865624	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1384287"	322.8756	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"286891"	680.763876	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"681499"	1020.642176	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1360036"	340.885576	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"137301"	340.885576	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"576860"	510.824726	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1046754"	170.946426	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"214656"	227.592809333333	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"653122"	340.885576	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1175621"	114.300042666667	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"436709"	697.790423	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"793332"	1037.668723	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1683829"	357.912123	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"332836"	349.3988495	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"723799"	519.3379995	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1478713"	179.4596995	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"394841"	702.745818	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"758390"	1042.624118	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1607583"	362.867518	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"317253"	351.876547	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"710767"	521.815697	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1466051"	181.937397	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1056379"	121.627356666667	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1259150"	372.911786	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"390493"	718.719758	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"751488"	1058.598058	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1554035"	378.841458	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"311819"	359.863517	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"705336"	529.802667	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1460778"	189.924367	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"249212"	721.790426	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1224597"	381.912126	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1202157"	191.459701	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"197214"	724.72776	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"637869"	1064.60606	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1137002"	384.84946	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"178106"	362.867518	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"624593"	532.806668	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1121172"	192.928368	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1402872"	128.954670666667	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1436081"	386.891046	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"223589"	367.90054	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1512015"	400.94309	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"411337"	370.854488	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"771967"	540.793638	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1670851"	200.915338	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"259192"	743.772368	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1234093"	403.894068	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1718604"	403.917593	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1185056"	136.281984666667	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1650323"	408.872988	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"157184"	756.67564	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"597314"	1096.55394	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1085878"	416.79734	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"145977"	378.841458	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"586632"	548.780608	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1078800"	208.902308	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1111281"	418.811892	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1346939"	418.899507	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1017289"	422.938676	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1532862"	423.932308	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1002594"	211.972976	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1599281"	424.846928	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1423848"	454.878438	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1155233"	232.486251	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1708064"	471.904985	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1648090"	476.86038	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1580460"	492.83432	"C14381"	"4-Hydroxy-23345-pentachlorobiphenyl;23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"802318"	407.8004	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M"	0
"976701"	388.78201	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-H2O-H"	-19.01839
"66038"	270.859657333333	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M-3H"	-3.021828
"505597"	406.793124	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M-3H"	-3.021828
"886676"	134.926190666667	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-3H"	-3.021828
"7453"	406.793124	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M-2H"	-2.014552
"447011"	610.693324	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M-2H"	-2.014552
"819345"	202.892924	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-2H"	-2.014552
"89179"	814.593524	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M-H"	-1.007276
"521813"	1222.393924	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M-H"	-1.007276
"902167"	406.793124	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-H"	-1.007276
"51074"	831.620071	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M-2H+NH4"	16.019271
"495007"	1239.420471	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M-2H+NH4"	16.019271
"866369"	423.819671	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-2H+NH4"	16.019271
"33178"	836.575466	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M-2H+Na"	20.974666
"472042"	1244.375866	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M-2H+Na"	20.974666
"851509"	428.775066	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-2H+Na"	20.974666
"1622136"	428.775066	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Na-2H"	20.974666
"105224"	424.781463	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M-H+Cl"	33.962126
"543691"	628.681663	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M-H+Cl"	33.962126
"935018"	220.881263	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-H+Cl"	33.962126
"273576"	850.570202	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+Cl"	34.969402
"663082"	1258.370602	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+Cl"	34.969402
"1285702"	442.769802	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Cl"	34.969402
"27893"	852.549406	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M-2H+K"	36.948606
"467087"	1260.349806	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M-2H+K"	36.948606
"845983"	444.749006	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-2H+K"	36.948606
"1568387"	444.749006	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+K-2H"	36.948606
"954816"	452.798594	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-H+HCOOH"	44.998194
"373392"	860.599001	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+HCOOH-H"	44.998201
"353997"	874.614651	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+Hac-H"	59.013851
"1500645"	466.814251	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Hac-H"	59.013851
"967088"	474.780551	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-H+NaCOOH"	66.980151
"115995"	442.769802	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+2Cl"	69.938804
"553367"	646.670002	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+2Cl"	69.938804
"1033109"	238.869602	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2Cl"	69.938804
"1242234"	486.719285	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Br"	78.918885
"1306388"	488.775272	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Cl+HCOOH"	80.974872
"1326075"	510.757229	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Cl+NaCOOH"	102.956829
"914581"	520.785986	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M-H+CF3COOH"	112.985586
"1290196"	556.762664	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Cl+CF3COOH"	148.962264
"1367222"	372.787724	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H-2H2O"	-35.012676
"1383425"	390.7977	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H-H2O"	-17.0027
"287001"	816.608076	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+H"	1.007276
"679422"	1224.408476	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+H"	1.007276
"1359053"	408.807676	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H"	1.007276
"136317"	408.807676	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+2H"	2.014552
"571503"	612.707876	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+2H"	2.014552
"1045770"	204.907476	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2H"	2.014552
"214766"	272.874209333333	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+3H"	3.021828
"650316"	408.807676	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+3H"	3.021828
"1175731"	136.940742666667	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+3H"	3.021828
"435726"	833.634623	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+NH4"	18.033823
"794536"	1241.435023	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+NH4"	18.033823
"1686127"	425.834223	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+NH4"	18.033823
"331853"	417.3209495	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+H+NH4"	19.041099
"724637"	621.2211495	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+H+NH4"	19.041099
"1479554"	213.4207495	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H+NH4"	19.041099
"393737"	838.590018	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+Na"	22.989218
"758500"	1246.390418	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+Na"	22.989218
"1607693"	430.789618	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Na"	22.989218
"315420"	419.798647	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+H+Na"	23.996494
"708448"	623.698847	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+H+Na"	23.996494
"1463246"	215.898447	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H+Na"	23.996494
"1056490"	144.268056666667	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2H+Na"	25.00377
"1260355"	440.833886	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+CH3OH+H"	33.033486
"390599"	854.563958	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+K"	38.963158
"752691"	1262.364358	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+K"	38.963158
"1555439"	446.763558	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+K"	38.963158
"313751"	427.785617	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+H+K"	39.970434
"706174"	631.685817	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+H+K"	39.970434
"1461051"	223.885417	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H+K"	39.970434
"250658"	857.634626	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+ACN+H"	42.033826
"1224948"	449.834226	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+ACN+H"	42.033826
"1204453"	225.420751	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+ACN+2H"	43.041102
"200604"	860.57196	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+2Na-H"	44.97116
"637979"	1268.37236	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+2Na-H"	44.97116
"1134925"	452.77156	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2Na-H"	44.97116
"178580"	430.789618	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+2Na"	45.978436
"625431"	634.689818	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+2Na"	45.978436
"1121282"	226.889418	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2Na"	45.978436
"1405897"	151.595370666667	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H+2Na"	46.985712
"1436191"	454.813146	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H+HCOOH"	47.012746
"224429"	435.82264	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+3H2O+2H"	56.04448
"1512491"	468.86519	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+IsoProp+H"	61.06479
"411083"	438.776588	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+Na+K"	61.952376
"775358"	642.676788	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+Na+K"	61.952376
"1672781"	234.876388	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Na+K"	61.952376
"260395"	879.616568	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+ACN+Na"	64.015768
"1236389"	471.816168	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+ACN+Na"	64.015768
"1718350"	471.839693	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+NH4+HCOOH"	64.039293
"1184073"	158.922684666667	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+3Na"	68.967654
"1651770"	476.795088	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Na+HCOOH"	68.994688
"157655"	892.51984	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+2K-H"	76.91904
"597340"	1300.32024	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+2K-H"	76.91904
"1085008"	484.71944	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2K-H"	76.91904
"143170"	446.763558	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"2M+2K"	77.926316
"585648"	650.663758	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"3M+2K"	77.926316
"1079274"	242.863358	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2K"	77.926316
"1111390"	486.733992	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2K+H"	78.933592
"1347778"	486.821607	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+DMSO+H"	79.021207
"1017399"	490.860776	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2ACN+H"	83.060376
"1532972"	491.854408	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+IsoProp+Na+H"	84.054008
"1000881"	245.934026	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+2ACN+2H"	84.067652
"1597204"	492.769028	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+K+HCOOH"	84.968628
"1421769"	522.800538	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+H+CF3COOH"	115.000138
"1154250"	266.447301	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+3ACN+2H"	125.094202
"1707081"	539.827085	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+NH4+CF3COOH"	132.026685
"1648200"	544.78248	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+Na+CF3COOH"	136.98208
"1580570"	560.75642	"C14382"	"4-Hydroxy-2234556-heptachlorobiphenyl;2234556-Heptachloro-4-biphenylol;4-Hydroxy-PCB 187"	"C12H3Cl7O"	"407.8004"	"M+K+CF3COOH"	152.95602
"805466"	286.1569	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M"	0
"976811"	267.13851	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-H2O-H"	-19.01839
"68335"	189.763990666667	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M-3H"	-3.021828
"507893"	285.149624	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M-3H"	-3.021828
"886786"	94.3783573333333	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-3H"	-3.021828
"14854"	285.149624	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M-2H"	-2.014552
"449308"	428.228074	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M-2H"	-2.014552
"824922"	142.071174	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-2H"	-2.014552
"90382"	571.306524	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M-H"	-1.007276
"521923"	857.463424	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M-H"	-1.007276
"902641"	285.149624	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-H"	-1.007276
"51548"	588.333071	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M-2H+NH4"	16.019271
"494024"	874.489971	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M-2H+NH4"	16.019271
"866358"	302.176171	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-2H+NH4"	16.019271
"33167"	593.288466	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M-2H+Na"	20.974666
"472724"	879.445366	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M-2H+Na"	20.974666
"852711"	307.131566	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-2H+Na"	20.974666
"1621152"	307.131566	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Na-2H"	20.974666
"104241"	303.137963	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M-H+Cl"	33.962126
"543801"	446.216413	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M-H+Cl"	33.962126
"938408"	160.059513	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-H+Cl"	33.962126
"267973"	607.283202	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+Cl"	34.969402
"662826"	893.440102	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+Cl"	34.969402
"1281801"	321.126302	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Cl"	34.969402
"28003"	609.262406	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M-2H+K"	36.948606
"467197"	895.419306	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M-2H+K"	36.948606
"841718"	323.105506	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-2H+K"	36.948606
"1569592"	323.105506	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+K-2H"	36.948606
"956019"	331.155094	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-H+HCOOH"	44.998194
"371317"	617.312001	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+HCOOH-H"	44.998201
"355201"	631.327651	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+Hac-H"	59.013851
"1501848"	345.170751	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Hac-H"	59.013851
"967198"	353.137051	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-H+NaCOOH"	66.980151
"116105"	321.126302	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+2Cl"	69.938804
"553112"	464.204752	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+2Cl"	69.938804
"1025559"	178.047852	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2Cl"	69.938804
"1244050"	365.075785	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Br"	78.918885
"1306134"	367.131772	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Cl+HCOOH"	80.974872
"1329465"	389.113729	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Cl+NaCOOH"	102.956829
"922712"	399.142486	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M-H+CF3COOH"	112.985586
"1298329"	435.119164	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Cl+CF3COOH"	148.962264
"1368468"	251.144224	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H-2H2O"	-35.012676
"1389611"	269.1542	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H-H2O"	-17.0027
"289298"	573.321076	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+H"	1.007276
"681719"	859.477976	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+H"	1.007276
"1361349"	287.164176	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H"	1.007276
"136427"	287.164176	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+2H"	2.014552
"574893"	430.242626	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+2H"	2.014552
"1050254"	144.085726	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2H"	2.014552
"215969"	191.778542666667	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+3H"	3.021828
"651519"	287.164176	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+3H"	3.021828
"1174747"	96.3929093333333	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+3H"	3.021828
"434742"	590.347623	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+NH4"	18.033823
"796832"	876.504523	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+NH4"	18.033823
"1686965"	304.190723	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+NH4"	18.033823
"335973"	295.6774495	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+H+NH4"	19.041099
"727665"	438.7558995	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+H+NH4"	19.041099
"1478203"	152.5989995	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H+NH4"	19.041099
"394699"	595.303018	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+Na"	22.989218
"758610"	881.459918	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+Na"	22.989218
"1603464"	309.146118	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Na"	22.989218
"317839"	298.155147	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+H+Na"	23.996494
"711713"	441.233597	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+H+Na"	23.996494
"1462502"	155.076697	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H+Na"	23.996494
"1054044"	103.720223333333	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2H+Na"	25.00377
"1262288"	319.190386	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+CH3OH+H"	33.033486
"389616"	611.276958	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+K"	38.963158
"752679"	897.433858	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+K"	38.963158
"1555349"	325.120058	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+K"	38.963158
"314251"	306.142117	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+H+K"	39.970434
"707000"	449.220567	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+H+K"	39.970434
"1461279"	163.063667	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H+K"	39.970434
"251263"	614.347626	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+ACN+H"	42.033826
"1225179"	328.190726	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+ACN+H"	42.033826
"1205658"	164.599001	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+ACN+2H"	43.041102
"202903"	617.28496	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+2Na-H"	44.97116
"644075"	903.44186	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+2Na-H"	44.97116
"1140503"	331.12806	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2Na-H"	44.97116
"183795"	309.146118	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+2Na"	45.978436
"628257"	452.224568	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+2Na"	45.978436
"1127952"	166.067668	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2Na"	45.978436
"1408194"	111.047537333333	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H+2Na"	46.985712
"1438124"	333.169646	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H+HCOOH"	47.012746
"225632"	314.17914	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+3H2O+2H"	56.04448
"1513694"	347.22169	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+IsoProp+H"	61.06479
"411921"	317.133088	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+Na+K"	61.952376
"776197"	460.211538	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+Na+K"	61.952376
"1670705"	174.054638	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Na+K"	61.952376
"260505"	636.329568	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+ACN+Na"	64.015768
"1237228"	350.172668	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+ACN+Na"	64.015768
"1722106"	350.196193	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+NH4+HCOOH"	64.039293
"1188556"	118.374851333333	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+3Na"	68.967654
"1651516"	355.151588	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Na+HCOOH"	68.994688
"158136"	649.23284	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+2K-H"	76.91904
"598663"	935.38974	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+2K-H"	76.91904
"1085243"	363.07594	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2K-H"	76.91904
"143158"	325.120058	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"2M+2K"	77.926316
"587945"	468.198508	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"3M+2K"	77.926316
"1079384"	182.041608	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2K"	77.926316
"1111864"	365.090492	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2K+H"	78.933592
"1349346"	365.178107	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+DMSO+H"	79.021207
"1017873"	369.217276	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2ACN+H"	83.060376
"1535998"	370.210908	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+IsoProp+Na+H"	84.054008
"1000626"	185.112276	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+2ACN+2H"	84.067652
"1599501"	371.125528	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+K+HCOOH"	84.968628
"1421879"	401.157038	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+H+CF3COOH"	115.000138
"1156547"	205.625551	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+3ACN+2H"	125.094202
"1708285"	418.183585	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+NH4+CF3COOH"	132.026685
"1645030"	423.13898	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+Na+CF3COOH"	136.98208
"1580680"	439.11292	"C14383"	"16-Ketoestradiol;16-Oxo-17beta-estradiol"	"C18H22O3"	"286.1569"	"M+K+CF3COOH"	152.95602
"801495"	216.0939	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M"	0
"976920"	197.07551	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-H2O-H"	-19.01839
"67351"	143.055324	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M-3H"	-3.021828
"509098"	215.086624	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M-3H"	-3.021828
"883618"	71.024024	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-3H"	-3.021828
"14600"	215.086624	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M-2H"	-2.014552
"447230"	323.133574	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M-2H"	-2.014552
"821752"	107.039674	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-2H"	-2.014552
"83931"	431.180524	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M-H"	-1.007276
"520210"	647.274424	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M-H"	-1.007276
"895679"	215.086624	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-H"	-1.007276
"49107"	448.207071	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M-2H+NH4"	16.019271
"488666"	664.300971	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M-2H+NH4"	16.019271
"865374"	232.113171	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-2H+NH4"	16.019271
"31509"	453.162466	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M-2H+Na"	20.974666
"472835"	669.256366	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M-2H+Na"	20.974666
"849135"	237.068566	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-2H+Na"	20.974666
"1620533"	237.068566	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Na-2H"	20.974666
"102164"	233.074963	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M-H+Cl"	33.962126
"537349"	341.121913	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M-H+Cl"	33.962126
"934144"	125.028013	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-H+Cl"	33.962126
"269421"	467.157202	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+Cl"	34.969402
"665124"	683.251102	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+Cl"	34.969402
"1275343"	251.063302	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Cl"	34.969402
"28107"	469.136406	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M-2H+K"	36.948606
"465120"	685.230306	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M-2H+K"	36.948606
"842920"	253.042506	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-2H+K"	36.948606
"1566414"	253.042506	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+K-2H"	36.948606
"956131"	261.092094	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-H+HCOOH"	44.998194
"373614"	477.186001	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+HCOOH-H"	44.998201
"355311"	491.201651	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+Hac-H"	59.013851
"1501957"	275.107751	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Hac-H"	59.013851
"967308"	283.074051	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-H+NaCOOH"	66.980151
"116215"	251.063302	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+2Cl"	69.938804
"552494"	359.110252	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+2Cl"	69.938804
"1025669"	143.016352	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2Cl"	69.938804
"1243067"	295.012785	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Br"	78.918885
"1306244"	297.068772	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Cl+HCOOH"	80.974872
"1329575"	319.050729	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Cl+NaCOOH"	102.956829
"920635"	329.079486	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M-H+CF3COOH"	112.985586
"1295159"	365.056164	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Cl+CF3COOH"	148.962264
"1367483"	181.081224	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H-2H2O"	-35.012676
"1388628"	199.0912	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H-H2O"	-17.0027
"289408"	433.195076	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+H"	1.007276
"678913"	649.288976	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+H"	1.007276
"1358179"	217.101176	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H"	1.007276
"133257"	217.101176	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+2H"	2.014552
"568807"	325.148126	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+2H"	2.014552
"1049269"	109.054226	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2H"	2.014552
"210611"	145.069876	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+3H"	3.021828
"649078"	217.101176	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+3H"	3.021828
"1172670"	73.038576	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+3H"	3.021828
"434851"	450.221623	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+NH4"	18.033823
"798034"	666.315523	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+NH4"	18.033823
"1683794"	234.127723	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+NH4"	18.033823
"334260"	225.6144495	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+H+NH4"	19.041099
"724495"	333.6613995	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+H+NH4"	19.041099
"1477704"	117.5674995	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H+NH4"	19.041099
"397725"	455.177018	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+Na"	22.989218
"756897"	671.270918	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+Na"	22.989218
"1603293"	239.083118	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Na"	22.989218
"321230"	228.092147	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+H+Na"	23.996494
"712552"	336.139097	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+H+Na"	23.996494
"1462734"	120.045197	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H+Na"	23.996494
"1054519"	80.36589	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2H+Na"	25.00377
"1263491"	249.127386	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+CH3OH+H"	33.033486
"388998"	471.150958	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+K"	38.963158
"751818"	687.244858	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+K"	38.963158
"1554969"	255.057058	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+K"	38.963158
"313484"	236.079117	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+H+K"	39.970434
"706642"	344.126067	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+H+K"	39.970434
"1460665"	128.032167	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H+K"	39.970434
"251048"	474.221626	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+ACN+H"	42.033826
"1225253"	258.127726	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+ACN+H"	42.033826
"1205768"	129.567501	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+ACN+2H"	43.041102
"203501"	477.15896	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+2Na-H"	44.97116
"644118"	693.25286	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+2Na-H"	44.97116
"1137333"	261.06506	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2Na-H"	44.97116
"183905"	239.083118	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+2Na"	45.978436
"627838"	347.130068	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+2Na"	45.978436
"1125875"	131.036168	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2Na"	45.978436
"1405025"	87.693204	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H+2Na"	46.985712
"1437141"	263.106646	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H+HCOOH"	47.012746
"223920"	244.11614	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+3H2O+2H"	56.04448
"1513804"	277.15869	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+IsoProp+H"	61.06479
"411667"	247.070088	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+Na+K"	61.952376
"772662"	355.117038	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+Na+K"	61.952376
"1667900"	139.023138	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Na+K"	61.952376
"260616"	496.203568	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+ACN+Na"	64.015768
"1234422"	280.109668	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+ACN+Na"	64.015768
"1720029"	280.133193	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+NH4+HCOOH"	64.039293
"1188666"	95.020518	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+3Na"	68.967654
"1650654"	285.088588	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Na+HCOOH"	68.994688
"157761"	509.10684	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+2K-H"	76.91904
"597803"	725.20074	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+2K-H"	76.91904
"1084624"	293.01294	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2K-H"	76.91904
"143268"	255.057058	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"2M+2K"	77.926316
"588055"	363.104008	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"3M+2K"	77.926316
"1076942"	147.010108	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2K"	77.926316
"1111246"	295.027492	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2K+H"	78.933592
"1349091"	295.115107	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+DMSO+H"	79.021207
"1016526"	299.154276	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2ACN+H"	83.060376
"1535381"	300.147908	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+IsoProp+Na+H"	84.054008
"1002559"	150.080776	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+2ACN+2H"	84.067652
"1601070"	301.062528	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+K+HCOOH"	84.968628
"1423082"	331.094038	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+H+CF3COOH"	115.000138
"1154470"	170.594051	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+3ACN+2H"	125.094202
"1708395"	348.120585	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+NH4+CF3COOH"	132.026685
"1645140"	353.07598	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+Na+CF3COOH"	136.98208
"1580790"	369.04992	"C14384"	"Benzobfluorene;23-Benzofluorene"	"C17H12"	"216.0939"	"M+K+CF3COOH"	152.95602
"807875"	122.0732	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M"	0
"978125"	103.05481	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"68556"	80.3748573333333	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"505925"	121.065924	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"883726"	39.6837906666667	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"14713"	121.065924	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"446247"	182.102524	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"822956"	60.029324	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"85135"	243.139124	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"523601"	365.212324	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"901403"	121.065924	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"50310"	260.165671	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"487637"	382.238871	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"867670"	138.092471	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"32534"	265.121066	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"471642"	387.194266	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"850746"	143.047866	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1620278"	143.047866	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"98993"	139.054263	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"541833"	200.090863	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"935347"	78.017663	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"269531"	279.115802	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"663047"	401.189002	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1273263"	157.042602	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"26758"	281.095006	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"467411"	403.168206	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"843028"	159.021806	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1566524"	159.021806	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"955874"	167.071394	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"374817"	289.144601	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"354328"	303.160251	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1503160"	181.087051	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"967418"	189.053351	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"116325"	157.042602	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"553697"	218.079202	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1024684"	96.006002	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1243176"	200.992085	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1306354"	203.048072	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1330779"	225.030029	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"920745"	235.058786	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1294174"	271.035464	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1368082"	87.060524	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1389831"	105.0705	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"292798"	245.153676	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"679752"	367.226876	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1358289"	123.080476	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"134460"	123.080476	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"568917"	184.117076	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1048286"	62.043876	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"208534"	82.3894093333333	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"649188"	123.080476	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1170593"	41.6983426666667	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"429494"	262.180223	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"793768"	384.253423	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1686819"	140.107023	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"336190"	131.5937495	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"726789"	192.6303495	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1480246"	70.5571495	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"397832"	267.135618	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"758829"	389.208818	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1604741"	145.062418	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"320244"	134.071447	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"709748"	195.108047	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1464298"	73.034847	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1056452"	49.0256566666667	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1262508"	155.106686	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"390201"	283.109558	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"752291"	405.182758	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1555200"	161.036358	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"313349"	142.058417	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"706547"	203.095017	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1460690"	81.021817	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"251240"	286.180226	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1225159"	164.107026	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1207703"	82.557151	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"197657"	289.11756	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"643417"	411.19076	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1142910"	167.04436	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"185473"	145.062418	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"624670"	206.099018	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1123798"	84.025818	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1406226"	56.3529706666667	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1435426"	169.085946	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"225120"	150.09544	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1511724"	183.13799	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"410684"	153.049388	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"773867"	214.085988	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1668011"	92.012788	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"258538"	308.162168	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1231616"	186.088968	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1714669"	186.112493	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1183671"	63.6802846666667	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1650767"	191.067888	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"157661"	321.06544	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"598517"	443.13864	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1085218"	198.99224	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"146416"	161.036358	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"584884"	222.072958	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1072677"	99.999758	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1110264"	201.006792	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1346283"	201.094407	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1018094"	205.133576	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1536950"	206.127208	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"1002305"	103.070426	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1600087"	207.041828	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1421006"	237.073338	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1154580"	123.583701	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1708505"	254.099885	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1639780"	259.05528	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1580900"	275.02922	"C14385"	"2-Ethylphenol;o-Ethylphenol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"811264"	122.0732	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M"	0
"978237"	103.05481	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"67575"	80.3748573333333	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"503970"	121.065924	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"882746"	39.6837906666667	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"14341"	121.065924	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"448544"	182.102524	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"826347"	60.029324	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"88525"	243.139124	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"528085"	365.212324	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"903700"	121.065924	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"53700"	260.165671	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"489979"	382.238871	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"867780"	138.092471	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"36776"	265.121066	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"472810"	387.194266	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"850857"	143.047866	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1622576"	143.047866	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"101291"	139.054263	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"541945"	200.090863	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"934364"	78.017663	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"270734"	279.115802	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"663157"	401.189002	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1274103"	157.042602	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"26504"	281.095006	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"464244"	403.168206	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"842408"	159.021806	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1568460"	159.021806	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"954526"	167.071394	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"373833"	289.144601	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"355531"	303.160251	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1504362"	181.087051	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"967528"	189.053351	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"119715"	157.042602	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"553808"	218.079202	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1023701"	96.006002	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1243286"	200.992085	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1304879"	203.048072	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1328702"	225.030029	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"920855"	235.058786	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1294284"	271.035464	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1369406"	87.060524	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1388848"	105.0705	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"292908"	245.153676	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"682050"	367.226876	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1361680"	123.080476	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H"	1.007276
"133476"	123.080476	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"568663"	184.117076	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1047302"	62.043876	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"206457"	82.3894093333333	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"646745"	123.080476	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1166331"	41.6983426666667	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"427780"	262.180223	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"789508"	384.253423	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1681941"	140.107023	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"331926"	131.5937495	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"725440"	192.6303495	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1479261"	70.5571495	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"395757"	267.135618	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"756754"	389.208818	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1604973"	145.062418	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"318169"	134.071447	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"710590"	195.108047	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1464411"	73.034847	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1053523"	49.0256566666667	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1260431"	155.106686	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"392384"	283.109558	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"751673"	405.182758	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1555073"	161.036358	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+K"	38.963158
"313465"	142.058417	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"706861"	203.095017	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1461238"	81.021817	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"249399"	286.180226	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1221742"	164.107026	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1206721"	82.557151	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"200684"	289.11756	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"640245"	411.19076	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1142656"	167.04436	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"184123"	145.062418	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"625146"	206.099018	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1126097"	84.025818	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1409621"	56.3529706666667	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1436267"	169.085946	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"227057"	150.09544	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1514027"	183.13799	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"411888"	153.049388	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"775070"	214.085988	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1675412"	92.012788	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"260839"	308.162168	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1236467"	186.088968	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1720252"	186.112493	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1181228"	63.6802846666667	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1652214"	191.067888	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"157613"	321.06544	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"599731"	443.13864	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1085331"	198.99224	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"142274"	161.036358	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"582076"	222.072958	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1071693"	99.999758	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1111102"	201.006792	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1348947"	201.094407	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1017840"	205.133576	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1536334"	206.127208	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"1004239"	103.070426	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1600197"	207.041828	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1421116"	237.073338	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1156878"	123.583701	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1708615"	254.099885	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1643171"	259.05528	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1581010"	275.02922	"C14386"	"3-Ethylphenol"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"803354"	350.1882	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M"	0
"980533"	331.16981	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-H2O-H"	-19.01839
"67681"	232.451524	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M-3H"	-3.021828
"508335"	349.180924	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M-3H"	-3.021828
"887230"	115.722124	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-3H"	-3.021828
"15298"	349.180924	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M-2H"	-2.014552
"447561"	524.275024	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M-2H"	-2.014552
"828643"	174.086824	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-2H"	-2.014552
"90458"	699.369124	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M-H"	-1.007276
"528195"	1049.557324	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M-H"	-1.007276
"902717"	349.180924	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-H"	-1.007276
"50531"	716.395671	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M-2H+NH4"	16.019271
"491183"	1066.583871	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M-2H+NH4"	16.019271
"870077"	366.207471	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-2H+NH4"	16.019271
"39073"	721.351066	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M-2H+Na"	20.974666
"472676"	1071.539266	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M-2H+Na"	20.974666
"850967"	371.162866	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-2H+Na"	20.974666
"1620500"	371.162866	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Na-2H"	20.974666
"101402"	367.169263	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M-H+Cl"	33.962126
"542055"	542.263363	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M-H+Cl"	33.962126
"934474"	192.075163	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-H+Cl"	33.962126
"269751"	735.345802	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+Cl"	34.969402
"664360"	1085.534002	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+Cl"	34.969402
"1281141"	385.157602	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Cl"	34.969402
"23698"	737.325006	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M-2H+K"	36.948606
"462168"	1087.513206	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M-2H+K"	36.948606
"839970"	387.136806	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-2H+K"	36.948606
"1567840"	387.136806	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+K-2H"	36.948606
"955366"	395.186394	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-H+HCOOH"	44.998194
"366289"	745.374601	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+HCOOH-H"	44.998201
"350173"	759.390251	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+Hac-H"	59.013851
"1501192"	409.202051	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Hac-H"	59.013851
"969827"	417.168351	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-H+NaCOOH"	66.980151
"123107"	385.157602	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+2Cl"	69.938804
"560481"	560.251702	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+2Cl"	69.938804
"1027092"	210.063502	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2Cl"	69.938804
"1254331"	429.107085	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Br"	78.918885
"1304869"	431.163072	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Cl+HCOOH"	80.974872
"1326624"	453.145029	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Cl+NaCOOH"	102.956829
"917682"	463.173786	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M-H+CF3COOH"	112.985586
"1297671"	499.150464	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Cl+CF3COOH"	148.962264
"1374739"	315.175524	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H-2H2O"	-35.012676
"1386771"	333.1855	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H-H2O"	-17.0027
"287550"	701.383676	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+H"	1.007276
"682159"	1051.571876	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+H"	1.007276
"1358510"	351.195476	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H"	1.007276
"131763"	351.195476	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+2H"	2.014552
"569501"	526.289576	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+2H"	2.014552
"1044132"	176.101376	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2H"	2.014552
"210941"	234.466076	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+3H"	3.021828
"647219"	351.195476	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+3H"	3.021828
"1168629"	117.736676	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+3H"	3.021828
"430807"	718.410223	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+NH4"	18.033823
"789618"	1068.598423	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+NH4"	18.033823
"1681568"	368.222023	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+NH4"	18.033823
"332034"	359.7087495	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+H+NH4"	19.041099
"727010"	534.8028495	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+H+NH4"	19.041099
"1479735"	184.6146495	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H+NH4"	19.041099
"396233"	723.365618	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+Na"	22.989218
"760145"	1073.553818	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+Na"	22.989218
"1606055"	373.177418	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Na"	22.989218
"318279"	362.186447	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+H+Na"	23.996494
"708513"	537.280547	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+H+Na"	23.996494
"1462453"	187.092347	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H+Na"	23.996494
"1053267"	125.06399	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2H+Na"	25.00377
"1260905"	383.221686	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+CH3OH+H"	33.033486
"392245"	739.339558	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+K"	38.963158
"752875"	1089.527758	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+K"	38.963158
"1555185"	389.151358	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+K"	38.963158
"313575"	370.173417	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+H+K"	39.970434
"706960"	545.267517	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+H+K"	39.970434
"1460877"	195.079317	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H+K"	39.970434
"248779"	742.410226	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+ACN+H"	42.033826
"1224934"	392.222026	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+ACN+H"	42.033826
"1208046"	196.614651	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+ACN+2H"	43.041102
"200794"	745.34756	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+2Na-H"	44.97116
"642180"	1095.53576	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+2Na-H"	44.97116
"1143129"	395.15936	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2Na-H"	44.97116
"180952"	373.177418	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+2Na"	45.978436
"624887"	548.271518	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+2Na"	45.978436
"1124020"	198.083318	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2Na"	45.978436
"1404260"	132.391304	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H+2Na"	46.985712
"1434554"	397.200946	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H+HCOOH"	47.012746
"227167"	378.21044	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+3H2O+2H"	56.04448
"1514137"	411.25299	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+IsoProp+H"	61.06479
"413820"	381.164388	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+Na+K"	61.952376
"774814"	556.258488	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+Na+K"	61.952376
"1672242"	206.070288	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Na+K"	61.952376
"260948"	764.392168	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+ACN+Na"	64.015768
"1236213"	414.203968	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+ACN+Na"	64.015768
"1724371"	414.227493	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+NH4+HCOOH"	64.039293
"1183527"	139.718618	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+3Na"	68.967654
"1652326"	419.182888	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Na+HCOOH"	68.994688
"159184"	777.29544	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+2K-H"	76.91904
"598503"	1127.48364	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+2K-H"	76.91904
"1085442"	427.10724	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2K-H"	76.91904
"142383"	389.151358	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"2M+2K"	77.926316
"584010"	564.245458	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"3M+2K"	77.926316
"1076177"	214.057258	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2K"	77.926316
"1103922"	429.121792	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2K+H"	78.933592
"1347962"	429.209407	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+DMSO+H"	79.021207
"1018676"	433.248576	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2ACN+H"	83.060376
"1537171"	434.242208	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+IsoProp+Na+H"	84.054008
"1003982"	217.127926	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+2ACN+2H"	84.067652
"1598483"	435.156828	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+K+HCOOH"	84.968628
"1422319"	465.188338	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+H+CF3COOH"	115.000138
"1159175"	237.641201	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+3ACN+2H"	125.094202
"1709818"	482.214885	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+NH4+CF3COOH"	132.026685
"1643281"	487.17028	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+Na+CF3COOH"	136.98208
"1581120"	503.14422	"C14387"	"Phenothrin;Sumithrin"	"C23H26O3"	"350.1882"	"M+K+CF3COOH"	152.95602
"804923"	390.079	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M"	0
"978457"	371.06061	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H2O-H"	-19.01839
"68885"	259.045390666667	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-3H"	-3.021828
"511726"	389.071724	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-3H"	-3.021828
"889527"	129.019057333333	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-3H"	-3.021828
"12493"	389.071724	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H"	-2.014552
"450951"	584.111224	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H"	-2.014552
"830576"	194.032224	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H"	-2.014552
"92026"	779.150724	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-H"	-1.007276
"531585"	1169.229724	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-H"	-1.007276
"907201"	389.071724	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H"	-1.007276
"53921"	796.177271	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H+NH4"	16.019271
"493480"	1186.256271	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H+NH4"	16.019271
"873467"	406.098271	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H+NH4"	16.019271
"39183"	801.132666	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H+Na"	20.974666
"472547"	1191.211666	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H+Na"	20.974666
"849255"	411.053666	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H+Na"	20.974666
"1623890"	411.053666	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na-2H"	20.974666
"101512"	407.060063	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-H+Cl"	33.962126
"539978"	602.099563	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-H+Cl"	33.962126
"934586"	212.020563	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+Cl"	33.962126
"273143"	815.127402	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Cl"	34.969402
"666656"	1205.206402	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+Cl"	34.969402
"1277966"	425.048402	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl"	34.969402
"21621"	817.106606	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H+K"	36.948606
"461185"	1207.185606	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H+K"	36.948606
"835707"	427.027606	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H+K"	36.948606
"1567950"	427.027606	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K-2H"	36.948606
"947084"	435.077194	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+HCOOH"	44.998194
"365306"	825.156201	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+HCOOH-H"	44.998201
"350283"	839.171851	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Hac-H"	59.013851
"1498022"	449.092851	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Hac-H"	59.013851
"971760"	457.059151	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+NaCOOH"	66.980151
"125042"	425.048402	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2Cl"	69.938804
"562778"	620.087902	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2Cl"	69.938804
"1032669"	230.008902	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2Cl"	69.938804
"1254441"	468.997885	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Br"	78.918885
"1305588"	471.053872	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl+HCOOH"	80.974872
"1326734"	493.035829	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl+NaCOOH"	102.956829
"919980"	503.064586	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+CF3COOH"	112.985586
"1298874"	539.041264	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl+CF3COOH"	148.962264
"1375943"	355.066324	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H-2H2O"	-35.012676
"1383601"	373.0763	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H-H2O"	-17.0027
"293128"	781.165276	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H"	1.007276
"682270"	1171.244276	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H"	1.007276
"1354610"	391.086276	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H"	1.007276
"128228"	391.086276	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2H"	2.014552
"566693"	586.125776	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2H"	2.014552
"1039138"	196.046776	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2H"	2.014552
"209228"	261.059942666667	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+3H"	3.021828
"648060"	391.086276	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+3H"	3.021828
"1170925"	131.033609333333	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+3H"	3.021828
"430917"	798.191823	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+NH4"	18.033823
"790820"	1188.270823	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+NH4"	18.033823
"1683868"	408.112823	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+NH4"	18.033823
"333242"	399.5995495	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H+NH4"	19.041099
"726754"	594.6390495	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H+NH4"	19.041099
"1478754"	204.5600495	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+NH4"	19.041099
"394879"	803.147218	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Na"	22.989218
"755879"	1193.226218	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+Na"	22.989218
"1605073"	413.068218	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na"	22.989218
"314329"	402.077247	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H+Na"	23.996494
"709717"	597.116747	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H+Na"	23.996494
"1462686"	207.037747	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+Na"	23.996494
"1053134"	138.360923333333	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2H+Na"	25.00377
"1260651"	423.112486	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+CH3OH+H"	33.033486
"380320"	819.121158	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+K"	38.963158
"753349"	1209.200158	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+K"	38.963158
"1555332"	429.042158	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K"	38.963158
"313930"	410.064217	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H+K"	39.970434
"706760"	605.103717	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H+K"	39.970434
"1461165"	215.024717	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+K"	39.970434
"250712"	822.191826	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+ACN+H"	42.033826
"1224027"	432.112826	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+ACN+H"	42.033826
"1206941"	216.560051	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+ACN+2H"	43.041102
"201268"	825.12916	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2Na-H"	44.97116
"642287"	1215.20816	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2Na-H"	44.97116
"1142146"	435.05016	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2Na-H"	44.97116
"183248"	413.068218	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2Na"	45.978436
"622810"	608.107718	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2Na"	45.978436
"1124130"	218.028718	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2Na"	45.978436
"1405465"	145.688237333333	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+2Na"	46.985712
"1436487"	437.091746	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+HCOOH"	47.012746
"227277"	418.10124	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+3H2O+2H"	56.04448
"1514245"	451.14379	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+IsoProp+H"	61.06479
"412471"	421.055188	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Na+K"	61.952376
"774560"	616.094688	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+Na+K"	61.952376
"1674540"	226.015688	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na+K"	61.952376
"254862"	844.173768	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+ACN+Na"	64.015768
"1237416"	454.094768	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+ACN+Na"	64.015768
"1723022"	454.118293	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+NH4+HCOOH"	64.039293
"1181450"	153.015551333333	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+3Na"	68.967654
"1650977"	459.073688	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na+HCOOH"	68.994688
"158566"	857.07704	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2K-H"	76.91904
"597886"	1247.15604	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2K-H"	76.91904
"1092119"	466.99804	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2K-H"	76.91904
"145655"	429.042158	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2K"	77.926316
"586308"	624.081658	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2K"	77.926316
"1074101"	234.002658	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2K"	77.926316
"1101845"	469.012592	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2K+H"	78.933592
"1342603"	469.100207	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+DMSO+H"	79.021207
"1018789"	473.139376	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2ACN+H"	83.060376
"1536915"	474.133008	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+IsoProp+Na+H"	84.054008
"1001174"	237.073326	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2ACN+2H"	84.067652
"1598958"	475.047628	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K+HCOOH"	84.968628
"1427901"	505.079138	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+CF3COOH"	115.000138
"1152723"	257.586601	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+3ACN+2H"	125.094202
"1705556"	522.105685	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+NH4+CF3COOH"	132.026685
"1643393"	527.06108	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na+CF3COOH"	136.98208
"1581230"	543.03502	"C14388"	"Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K+CF3COOH"	152.95602
"805033"	329.9981	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M"	0
"975284"	310.97971	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-H2O-H"	-19.01839
"66808"	218.991457333333	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M-3H"	-3.021828
"508556"	328.990824	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M-3H"	-3.021828
"886357"	108.992090666667	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-3H"	-3.021828
"15196"	328.990824	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M-2H"	-2.014552
"447781"	493.989874	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M-2H"	-2.014552
"826676"	163.991774	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-2H"	-2.014552
"90313"	658.988924	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M-H"	-1.007276
"528415"	988.987024	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M-H"	-1.007276
"908040"	328.990824	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-H"	-1.007276
"50751"	676.015471	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M-2H+NH4"	16.019271
"493590"	1006.013571	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M-2H+NH4"	16.019271
"870297"	346.017371	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-2H+NH4"	16.019271
"33826"	680.970866	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M-2H+Na"	20.974666
"472049"	1010.968966	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M-2H+Na"	20.974666
"851187"	350.972766	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-2H+Na"	20.974666
"1622906"	350.972766	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Na-2H"	20.974666
"101622"	346.979163	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M-H+Cl"	33.962126
"542274"	511.978213	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M-H+Cl"	33.962126
"936882"	181.980113	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-H+Cl"	33.962126
"274345"	694.965602	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+Cl"	34.969402
"664579"	1024.963702	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+Cl"	34.969402
"1279169"	364.967502	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Cl"	34.969402
"21731"	696.944806	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M-2H+K"	36.948606
"462388"	1026.942906	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M-2H+K"	36.948606
"839094"	366.946706	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-2H+K"	36.948606
"1559308"	366.946706	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+K-2H"	36.948606
"946101"	374.996294	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-H+HCOOH"	44.998194
"374895"	704.994401	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+HCOOH-H"	44.998201
"355860"	719.010051	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+Hac-H"	59.013851
"1503598"	389.011951	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Hac-H"	59.013851
"971870"	396.978251	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-H+NaCOOH"	66.980151
"125396"	364.967502	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+2Cl"	69.938804
"561795"	529.966552	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+2Cl"	69.938804
"1029499"	199.968452	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2Cl"	69.938804
"1255644"	408.916985	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Br"	78.918885
"1306064"	410.972972	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Cl+HCOOH"	80.974872
"1325750"	432.954929	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Cl+NaCOOH"	102.956829
"920090"	442.983686	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M-H+CF3COOH"	112.985586
"1296797"	478.960364	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Cl+CF3COOH"	148.962264
"1377147"	294.985424	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H-2H2O"	-35.012676
"1388084"	312.9954	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H-H2O"	-17.0027
"292143"	661.003476	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+H"	1.007276
"687846"	991.001576	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+H"	1.007276
"1356543"	331.005376	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H"	1.007276
"129433"	331.005376	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+2H"	2.014552
"567169"	496.004426	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+2H"	2.014552
"1044352"	166.006326	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2H"	2.014552
"208974"	221.006009333333	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+3H"	3.021828
"648535"	331.005376	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+3H"	3.021828
"1169942"	111.006642666667	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+3H"	3.021828
"433214"	678.030023	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+NH4"	18.033823
"790931"	1008.028123	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+NH4"	18.033823
"1685073"	348.031923	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+NH4"	18.033823
"334445"	339.5186495	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+H+NH4"	19.041099
"725772"	504.5176995	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+H+NH4"	19.041099
"1478864"	174.5195995	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H+NH4"	19.041099
"394625"	682.985418	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+Na"	22.989218
"754352"	1012.983518	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+Na"	22.989218
"1603157"	352.987318	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Na"	22.989218
"317406"	341.996347	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+H+Na"	23.996494
"710920"	506.995397	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+H+Na"	23.996494
"1464741"	176.997297	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H+Na"	23.996494
"1054706"	118.333956666667	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2H+Na"	25.00377
"1260761"	363.031586	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+CH3OH+H"	33.033486
"381524"	698.959358	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+K"	38.963158
"752974"	1028.957458	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+K"	38.963158
"1555153"	368.961258	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+K"	38.963158
"314083"	349.983317	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+H+K"	39.970434
"706951"	514.982367	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+H+K"	39.970434
"1461127"	184.984267	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H+K"	39.970434
"251269"	702.030026	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+ACN+H"	42.033826
"1222435"	372.031926	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+ACN+H"	42.033826
"1205956"	186.519601	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+ACN+2H"	43.041102
"201014"	704.96736	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+2Na-H"	44.97116
"640211"	1034.96546	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+2Na-H"	44.97116
"1140069"	374.96926	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2Na-H"	44.97116
"183725"	352.987318	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+2Na"	45.978436
"619638"	517.986368	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+2Na"	45.978436
"1120958"	187.988268	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2Na"	45.978436
"1402294"	125.661270666667	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H+2Na"	46.985712
"1432952"	377.010846	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H+HCOOH"	47.012746
"224104"	358.02034	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+3H2O+2H"	56.04448
"1512167"	391.06289	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+IsoProp+H"	61.06479
"414037"	360.974288	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+Na+K"	61.952376
"773940"	525.973338	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+Na+K"	61.952376
"1672463"	195.975238	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Na+K"	61.952376
"255335"	724.011968	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+ACN+Na"	64.015768
"1235339"	394.013868	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+ACN+Na"	64.015768
"1720216"	394.037393	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+NH4+HCOOH"	64.039293
"1180098"	132.988584666667	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+3Na"	68.967654
"1650719"	398.992788	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Na+HCOOH"	68.994688
"157336"	736.91524	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+2K-H"	76.91904
"598968"	1066.91334	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+2K-H"	76.91904
"1086761"	406.91714	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2K-H"	76.91904
"146858"	368.961258	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"2M+2K"	77.926316
"587511"	533.960308	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"3M+2K"	77.926316
"1075304"	203.962208	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2K"	77.926316
"1103047"	408.931692	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2K+H"	78.933592
"1342713"	409.019307	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+DMSO+H"	79.021207
"1013431"	413.058476	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2ACN+H"	83.060376
"1537025"	414.052108	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+IsoProp+Na+H"	84.054008
"1001284"	207.032876	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+2ACN+2H"	84.067652
"1599068"	414.966728	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+K+HCOOH"	84.968628
"1429471"	444.998238	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+H+CF3COOH"	115.000138
"1152833"	227.546151	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+3ACN+2H"	125.094202
"1702386"	462.024785	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+NH4+CF3COOH"	132.026685
"1643503"	466.98018	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+Na+CF3COOH"	136.98208
"1581340"	482.95412	"C14389"	"111-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;Monohydroxymethoxychlor"	"C15H13Cl3O2"	"329.9981"	"M+K+CF3COOH"	152.95602
"811704"	114.1045	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M"	0
"984143"	95.08611	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-H2O-H"	-19.01839
"73481"	75.0623906666667	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M-3H"	-3.021828
"511947"	113.097224	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M-3H"	-3.021828
"891934"	37.0275573333333	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-3H"	-3.021828
"14902"	113.097224	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M-2H"	-2.014552
"453358"	170.149474	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M-2H"	-2.014552
"830796"	56.044974	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-2H"	-2.014552
"90787"	227.201724	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M-H"	-1.007276
"528525"	341.306224	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M-H"	-1.007276
"906327"	113.097224	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-H"	-1.007276
"57421"	244.228271	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M-2H+NH4"	16.019271
"495887"	358.332771	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M-2H+NH4"	16.019271
"867127"	130.123771	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-2H+NH4"	16.019271
"36123"	249.183666	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M-2H+Na"	20.974666
"474590"	363.288166	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M-2H+Na"	20.974666
"851297"	135.079166	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-2H+Na"	20.974666
"1620832"	135.079166	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Na-2H"	20.974666
"100639"	131.085563	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M-H+Cl"	33.962126
"542384"	188.137813	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M-H+Cl"	33.962126
"934806"	74.033313	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-H+Cl"	33.962126
"272634"	263.178402	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+Cl"	34.969402
"665783"	377.282902	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+Cl"	34.969402
"1277458"	149.073902	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Cl"	34.969402
"20022"	265.157606	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M-2H+K"	36.948606
"458490"	379.262106	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M-2H+K"	36.948606
"838113"	151.053106	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-2H+K"	36.948606
"1561605"	151.053106	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+K-2H"	36.948606
"947304"	159.102694	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-H+HCOOH"	44.998194
"370990"	273.207201	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+HCOOH-H"	44.998201
"351595"	287.222851	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+Hac-H"	59.013851
"1504801"	173.118351	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Hac-H"	59.013851
"971251"	181.084651	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-H+NaCOOH"	66.980151
"125386"	149.073902	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+2Cl"	69.938804
"565314"	206.126152	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+2Cl"	69.938804
"1029609"	92.021652	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2Cl"	69.938804
"1255634"	193.023385	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Br"	78.918885
"1313829"	195.079372	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Cl+HCOOH"	80.974872
"1325860"	217.061329	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Cl+NaCOOH"	102.956829
"920200"	227.090086	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M-H+CF3COOH"	112.985586
"1298001"	263.066764	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Cl+CF3COOH"	148.962264
"1373976"	79.091824	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H-2H2O"	-35.012676
"1388194"	97.1018	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H-H2O"	-17.0027
"295533"	229.216276	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+H"	1.007276
"685770"	343.320776	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+H"	1.007276
"1363213"	115.111776	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H"	1.007276
"137197"	115.111776	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+2H"	2.014552
"570197"	172.164026	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+2H"	2.014552
"1044463"	58.059526	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2H"	2.014552
"209812"	77.0769426666667	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+3H"	3.021828
"653019"	115.111776	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+3H"	3.021828
"1172238"	39.0421093333333	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+3H"	3.021828
"435513"	246.242823	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+NH4"	18.033823
"796508"	360.347323	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+NH4"	18.033823
"1688463"	132.138323	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+NH4"	18.033823
"337836"	123.6250495	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+H+NH4"	19.041099
"726976"	180.6772995	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+H+NH4"	19.041099
"1481890"	66.5727995	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H+NH4"	19.041099
"397290"	251.198218	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+Na"	22.989218
"757194"	365.302718	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+Na"	22.989218
"1603102"	137.093718	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Na"	22.989218
"321892"	126.102747	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+H+Na"	23.996494
"715406"	183.154997	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+H+Na"	23.996494
"1467040"	69.050497	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H+Na"	23.996494
"1059192"	46.3694233333333	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2H+Na"	25.00377
"1261965"	147.137986	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+CH3OH+H"	33.033486
"382727"	267.172158	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+K"	38.963158
"752479"	381.276658	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+K"	38.963158
"1553443"	153.067658	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+K"	38.963158
"313534"	134.089717	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+H+K"	39.970434
"704496"	191.141967	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+H+K"	39.970434
"1461260"	77.037467	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H+K"	39.970434
"247286"	270.242826	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+ACN+H"	42.033826
"1221452"	156.138326	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+ACN+H"	42.033826
"1207768"	78.572801	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+ACN+2H"	43.041102
"198941"	273.18016	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+2Na-H"	44.97116
"640322"	387.28466	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+2Na-H"	44.97116
"1142366"	159.07566	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2Na-H"	44.97116
"180189"	137.093718	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+2Na"	45.978436
"621936"	194.145968	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+2Na"	45.978436
"1122161"	80.041468	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2Na"	45.978436
"1401432"	53.6967373333333	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H+2Na"	46.985712
"1434522"	161.117246	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H+HCOOH"	47.012746
"227497"	142.12674	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+3H2O+2H"	56.04448
"1512279"	175.16929	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+IsoProp+H"	61.06479
"412692"	145.080688	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+Na+K"	61.952376
"776240"	202.132938	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+Na+K"	61.952376
"1673667"	88.028438	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Na+K"	61.952376
"260186"	292.224768	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+ACN+Na"	64.015768
"1235816"	178.120268	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+ACN+Na"	64.015768
"1720690"	178.143793	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+NH4+HCOOH"	64.039293
"1181304"	61.0240513333333	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+3Na"	68.967654
"1653750"	183.099188	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Na+HCOOH"	68.994688
"157526"	305.12804	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+2K-H"	76.91904
"597495"	419.23254	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+2K-H"	76.91904
"1084478"	191.02354	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2K-H"	76.91904
"144781"	153.067658	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"2M+2K"	77.926316
"585434"	210.119908	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"3M+2K"	77.926316
"1072134"	96.015408	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2K"	77.926316
"1102064"	193.038092	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2K+H"	78.933592
"1342823"	193.125707	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+DMSO+H"	79.021207
"1016821"	197.164876	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2ACN+H"	83.060376
"1536041"	198.158508	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+IsoProp+Na+H"	84.054008
"1002487"	99.086076	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+2ACN+2H"	84.067652
"1599178"	199.073128	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+K+HCOOH"	84.968628
"1427028"	229.104638	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+H+CF3COOH"	115.000138
"1151847"	119.599351	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+3ACN+2H"	125.094202
"1702494"	246.131185	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+NH4+CF3COOH"	132.026685
"1640332"	251.08658	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+Na+CF3COOH"	136.98208
"1581450"	267.06052	"C14390"	"Heptanal;n-Heptaldehyde"	"C7H14O"	"114.1045"	"M+K+CF3COOH"	152.95602
"810720"	296.1776	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M"	0
"976598"	277.15921	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-H2O-H"	-19.01839
"71403"	196.444457333333	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M-3H"	-3.021828
"510961"	295.170324	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M-3H"	-3.021828
"883296"	97.7185906666667	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-3H"	-3.021828
"15011"	295.170324	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M-2H"	-2.014552
"450189"	443.259124	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M-2H"	-2.014552
"829084"	147.081524	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-2H"	-2.014552
"90170"	591.347924	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M-H"	-1.007276
"529731"	887.525524	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M-H"	-1.007276
"904251"	295.170324	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-H"	-1.007276
"54251"	608.374471	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M-2H+NH4"	16.019271
"495633"	904.552071	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M-2H+NH4"	16.019271
"867358"	312.196871	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-2H+NH4"	16.019271
"36233"	613.329866	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M-2H+Na"	20.974666
"477980"	909.507466	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M-2H+Na"	20.974666
"852501"	317.152266	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-2H+Na"	20.974666
"1623128"	317.152266	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Na-2H"	20.974666
"101843"	313.158663	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M-H+Cl"	33.962126
"539215"	461.247463	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M-H+Cl"	33.962126
"934916"	165.069863	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-H+Cl"	33.962126
"270558"	627.324602	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+Cl"	34.969402
"664799"	923.502202	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+Cl"	34.969402
"1276475"	331.147002	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Cl"	34.969402
"20132"	629.303806	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M-2H+K"	36.948606
"460422"	925.481406	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M-2H+K"	36.948606
"838224"	333.126206	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-2H+K"	36.948606
"1559888"	333.126206	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+K-2H"	36.948606
"946321"	341.175794	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-H+HCOOH"	44.998194
"367820"	637.353401	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+HCOOH-H"	44.998201
"352799"	651.369051	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+Hac-H"	59.013851
"1502725"	355.191451	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Hac-H"	59.013851
"973552"	363.157751	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-H+NaCOOH"	66.980151
"125253"	331.147002	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+2Cl"	69.938804
"564202"	479.235802	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+2Cl"	69.938804
"1029719"	183.058202	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2Cl"	69.938804
"1255864"	375.096485	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Br"	78.918885
"1315032"	377.152472	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Cl+HCOOH"	80.974872
"1325971"	399.134429	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Cl+NaCOOH"	102.956829
"921403"	409.163186	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M-H+CF3COOH"	112.985586
"1299206"	445.139864	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Cl+CF3COOH"	148.962264
"1379555"	261.164924	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H-2H2O"	-35.012676
"1390491"	279.1749	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H-H2O"	-17.0027
"294552"	593.362476	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+H"	1.007276
"686975"	889.540076	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+H"	1.007276
"1360045"	297.184876	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H"	1.007276
"131840"	297.184876	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+2H"	2.014552
"572494"	445.273676	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+2H"	2.014552
"1047854"	149.096076	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2H"	2.014552
"213569"	198.459009333333	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+3H"	3.021828
"654223"	297.184876	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+3H"	3.021828
"1175629"	99.7331426666667	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+3H"	3.021828
"435622"	610.389023	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+NH4"	18.033823
"794431"	906.566623	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+NH4"	18.033823
"1686386"	314.211423	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+NH4"	18.033823
"334298"	305.6981495	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+H+NH4"	19.041099
"727813"	453.7869495	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+H+NH4"	19.041099
"1479811"	157.6093495	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H+NH4"	19.041099
"400680"	615.344418	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+Na"	22.989218
"758396"	911.522018	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+Na"	22.989218
"1605401"	319.166818	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Na"	22.989218
"318721"	308.175847	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+H+Na"	23.996494
"714422"	456.264647	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+H+Na"	23.996494
"1468241"	160.087047	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H+Na"	23.996494
"1060393"	107.060456666667	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2H+Na"	25.00377
"1263165"	329.211086	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+CH3OH+H"	33.033486
"380645"	631.318358	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+K"	38.963158
"749302"	927.495958	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+K"	38.963158
"1553917"	335.140758	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+K"	38.963158
"313280"	316.162817	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+H+K"	39.970434
"702419"	464.251617	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+H+K"	39.970434
"1460704"	168.074017	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H+K"	39.970434
"247761"	634.389026	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+ACN+H"	42.033826
"1219375"	338.211426	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+ACN+H"	42.033826
"1203261"	169.609351	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+ACN+2H"	43.041102
"197228"	637.32636	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+2Na-H"	44.97116
"637880"	933.50396	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+2Na-H"	44.97116
"1139197"	341.14876	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2Na-H"	44.97116
"177020"	319.166818	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+2Na"	45.978436
"618766"	467.255618	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+2Na"	45.978436
"1121177"	171.078018	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2Na"	45.978436
"1403607"	114.387770666667	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H+2Na"	46.985712
"1432444"	343.190346	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H+HCOOH"	47.012746
"222500"	324.19984	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+3H2O+2H"	56.04448
"1512750"	357.24239	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+IsoProp+H"	61.06479
"413166"	327.153788	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+Na+K"	61.952376
"774522"	475.242588	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+Na+K"	61.952376
"1667944"	179.064988	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Na+K"	61.952376
"254828"	656.370968	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+ACN+Na"	64.015768
"1235926"	360.193368	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+ACN+Na"	64.015768
"1720801"	360.216893	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+NH4+HCOOH"	64.039293
"1182875"	121.715084666667	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+3Na"	68.967654
"1659330"	365.172288	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Na+HCOOH"	68.994688
"157313"	669.27424	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+2K-H"	76.91904
"597295"	965.45184	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+2K-H"	76.91904
"1084320"	373.09664	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2K-H"	76.91904
"143798"	335.140758	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"2M+2K"	77.926316
"587733"	483.229558	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"3M+2K"	77.926316
"1072244"	187.051958	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2K"	77.926316
"1100063"	375.111192	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2K+H"	78.933592
"1346213"	375.198807	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+DMSO+H"	79.021207
"1016931"	379.237976	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2ACN+H"	83.060376
"1533964"	380.231608	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+IsoProp+Na+H"	84.054008
"1002598"	190.122626	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+2ACN+2H"	84.067652
"1599288"	381.146228	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+K+HCOOH"	84.968628
"1426044"	411.177738	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+H+CF3COOH"	115.000138
"1149771"	210.635901	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+3ACN+2H"	125.094202
"1705884"	428.204285	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+NH4+CF3COOH"	132.026685
"1640442"	433.15968	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+Na+CF3COOH"	136.98208
"1581560"	449.13362	"C14391"	"Diethylstilbestrol dimethyl ether;(E)-11-(12-Diethyl-12-ethenediyl)bis(4-methoxybenzene)"	"C20H24O2"	"296.1776"	"M+K+CF3COOH"	152.95602
"802204"	268.1463	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M"	0
"977801"	249.12791	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-H2O-H"	-19.01839
"71513"	177.756924	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M-3H"	-3.021828
"511071"	267.139024	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M-3H"	-3.021828
"884499"	88.374824	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-3H"	-3.021828
"13657"	267.139024	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M-2H"	-2.014552
"455574"	401.212174	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M-2H"	-2.014552
"829194"	133.065874	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-2H"	-2.014552
"90280"	535.285324	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M-H"	-1.007276
"529841"	803.431624	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M-H"	-1.007276
"904361"	267.139024	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-H"	-1.007276
"61410"	552.311871	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M-2H+NH4"	16.019271
"495014"	820.458171	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M-2H+NH4"	16.019271
"873909"	284.165571	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-2H+NH4"	16.019271
"37437"	557.267266	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M-2H+Na"	20.974666
"480278"	825.413566	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M-2H+Na"	20.974666
"856985"	289.120966	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-2H+Na"	20.974666
"1630528"	289.120966	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Na-2H"	20.974666
"101953"	285.127363	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M-H+Cl"	33.962126
"543700"	419.200513	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M-H+Cl"	33.962126
"936120"	151.054213	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-H+Cl"	33.962126
"272491"	571.262002	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+Cl"	34.969402
"667098"	839.408302	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+Cl"	34.969402
"1279500"	303.115702	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Cl"	34.969402
"26442"	573.241206	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M-2H+K"	36.948606
"467096"	841.387506	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M-2H+K"	36.948606
"842709"	305.094906	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-2H+K"	36.948606
"1559998"	305.094906	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+K-2H"	36.948606
"946431"	313.144494	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-H+HCOOH"	44.998194
"367930"	581.290801	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+HCOOH-H"	44.998201
"351815"	595.306451	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+Hac-H"	59.013851
"1501742"	327.160151	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Hac-H"	59.013851
"961626"	335.126451	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-H+NaCOOH"	66.980151
"123658"	303.115702	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+2Cl"	69.938804
"563219"	437.188852	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+2Cl"	69.938804
"1029829"	169.042552	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2Cl"	69.938804
"1256896"	347.065185	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Br"	78.918885
"1317327"	349.121172	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Cl+HCOOH"	80.974872
"1326078"	371.103129	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Cl+NaCOOH"	102.956829
"920419"	381.131886	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M-H+CF3COOH"	112.985586
"1296036"	417.108564	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Cl+CF3COOH"	148.962264
"1376385"	233.133624	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H-2H2O"	-35.012676
"1391695"	251.1436	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H-H2O"	-17.0027
"292476"	537.299876	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+H"	1.007276
"685992"	805.446176	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+H"	1.007276
"1360155"	269.153576	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H"	1.007276
"130857"	269.153576	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+2H"	2.014552
"571511"	403.226726	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+2H"	2.014552
"1042496"	135.080426	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2H"	2.014552
"215866"	179.771476	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+3H"	3.021828
"649958"	269.153576	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+3H"	3.021828
"1167716"	90.389376	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+3H"	3.021828
"429166"	554.326423	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+NH4"	18.033823
"790891"	822.472723	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+NH4"	18.033823
"1688682"	286.180123	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+NH4"	18.033823
"332948"	277.6668495	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+H+NH4"	19.041099
"730477"	411.7399995	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+H+NH4"	19.041099
"1484295"	143.5936995	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H+NH4"	19.041099
"399698"	559.281818	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+Na"	22.989218
"762880"	827.428118	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+Na"	22.989218
"1614259"	291.135518	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Na"	22.989218
"323200"	280.144547	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+H+Na"	23.996494
"711248"	414.217697	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+H+Na"	23.996494
"1463973"	146.071397	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H+Na"	23.996494
"1060503"	97.71669	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2H+Na"	25.00377
"1264368"	301.179786	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+CH3OH+H"	33.033486
"380755"	575.255758	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+K"	38.963158
"747224"	843.402058	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+K"	38.963158
"1554753"	307.109458	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+K"	38.963158
"313389"	288.131517	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+H+K"	39.970434
"703985"	422.204667	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+H+K"	39.970434
"1460733"	154.058367	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H+K"	39.970434
"244590"	578.326426	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+ACN+H"	42.033826
"1218392"	310.180126	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+ACN+H"	42.033826
"1202277"	155.593701	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+ACN+2H"	43.041102
"198430"	581.26376	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+2Na-H"	44.97116
"637990"	849.41006	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+2Na-H"	44.97116
"1139307"	313.11746	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2Na-H"	44.97116
"178223"	291.135518	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+2Na"	45.978436
"616688"	425.208668	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+2Na"	45.978436
"1122380"	157.062368	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2Na"	45.978436
"1403717"	105.044004	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H+2Na"	46.985712
"1432554"	315.159046	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H+HCOOH"	47.012746
"221882"	296.16854	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+3H2O+2H"	56.04448
"1512130"	329.21109	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+IsoProp+H"	61.06479
"413277"	299.122488	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+Na+K"	61.952376
"774268"	433.195638	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+Na+K"	61.952376
"1669513"	165.049338	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Na+K"	61.952376
"254209"	600.308368	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+ACN+Na"	64.015768
"1235306"	332.162068	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+ACN+Na"	64.015768
"1722004"	332.185593	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+NH4+HCOOH"	64.039293
"1181162"	112.371318	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+3Na"	68.967654
"1659440"	337.140988	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Na+HCOOH"	68.994688
"157787"	613.21164	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+2K-H"	76.91904
"597835"	881.35794	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+2K-H"	76.91904
"1084659"	345.06534	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2K-H"	76.91904
"141955"	307.109458	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"2M+2K"	77.926316
"585656"	441.182608	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"3M+2K"	77.926316
"1071260"	173.036308	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2K"	77.926316
"1101552"	347.079892	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2K+H"	78.933592
"1339760"	347.167507	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+DMSO+H"	79.021207
"1013758"	351.206676	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2ACN+H"	83.060376
"1535164"	352.200308	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+IsoProp+Na+H"	84.054008
"996144"	176.106976	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+2ACN+2H"	84.067652
"1596117"	353.114928	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+K+HCOOH"	84.968628
"1423965"	383.146438	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+H+CF3COOH"	115.000138
"1149152"	196.620251	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+3ACN+2H"	125.094202
"1705994"	400.172985	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+NH4+CF3COOH"	132.026685
"1640552"	405.12838	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+Na+CF3COOH"	136.98208
"1581670"	421.10232	"C14392"	"Equilin"	"C18H20O2"	"268.1463"	"M+K+CF3COOH"	152.95602
"803650"	228.0786	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M"	0
"976452"	209.06021	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"71623"	151.045124	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"508995"	227.071324	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"883515"	75.018924	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"13767"	227.071324	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"455320"	341.110624	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"826024"	113.032024	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"91483"	455.149924	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"531044"	683.228524	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"907751"	227.071324	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"61519"	472.176471	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"495124"	700.255071	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"874019"	244.097871	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"37547"	477.131866	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"480388"	705.210466	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"857095"	249.053266	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1631369"	249.053266	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"106076"	245.059663	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"546728"	359.098963	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"941337"	131.020363	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"280621"	491.126602	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"665025"	719.205202	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1279612"	263.048002	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"23269"	493.105806	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"460642"	721.184406	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"845007"	265.027206	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1558651"	265.027206	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"944716"	273.076794	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"368040"	501.155401	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"351925"	515.171051	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1504767"	287.092451	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"961736"	295.058751	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"124861"	263.048002	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"562235"	377.087302	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1029939"	149.008702	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1254987"	306.997485	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1317437"	309.053472	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1322908"	331.035429	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"921621"	341.064186	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1297239"	377.040864	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1379774"	193.065924	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1395085"	211.0759	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"292586"	457.164476	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"683915"	685.243076	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1363544"	229.085876	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"135338"	229.085876	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"571621"	343.125176	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1048073"	115.046576	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"212695"	153.059676	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"652255"	229.085876	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1167464"	77.033476	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"429279"	474.191023	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"790273"	702.269623	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1688792"	246.112423	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"332694"	237.5991495	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"734595"	351.6384495	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1483312"	123.5598495	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"403087"	479.146418	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"764083"	707.225018	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1613276"	251.067818	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"320030"	240.076847	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"712451"	354.116147	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1463354"	126.037547	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1060613"	84.36079	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1263385"	261.112086	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"380865"	495.120358	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"750249"	723.198958	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1555445"	267.041758	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"312764"	248.063817	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"705187"	362.103117	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1461256"	134.024517	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"247981"	498.191026	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1218503"	270.112426	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1203480"	135.559851	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"200727"	501.12836	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"639194"	729.20696	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1140510"	273.04976	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"179426"	251.067818	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"621172"	365.107118	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1124676"	137.028518	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1408200"	91.688104	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1434849"	275.091346	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"224545"	256.10084	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1513700"	289.14339	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"415572"	259.054788	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"776930"	373.094088	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1669623"	145.015488	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"257236"	520.172968	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1237601"	292.094368	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1723936"	292.117893	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1183094"	99.015418	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1660643"	297.073288	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"158021"	533.07624	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"597947"	761.15484	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1085132"	304.99764	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"142065"	267.041758	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"584671"	381.081058	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1070398"	153.002458	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1100805"	307.012192	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1337560"	307.099807	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1006694"	311.138976	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1527618"	312.132608	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"991147"	156.073126	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1590758"	313.047228	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1420793"	343.078738	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1148898"	176.586401	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1706104"	360.105285	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1640662"	365.06068	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1581780"	381.03462	"C14393"	"Benzylparaben;Benzyl parahydroxybenzoate;Benzyl 4-hydroxybenzoate"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"802303"	137.0477	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M"	0
"974741"	118.02931	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-H2O-H"	-19.01839
"71733"	90.3578573333333	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M-3H"	-3.021828
"509105"	136.040424	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M-3H"	-3.021828
"883625"	44.6752906666667	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-3H"	-3.021828
"13147"	136.040424	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M-2H"	-2.014552
"455562"	204.564274	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M-2H"	-2.014552
"825041"	67.516574	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-2H"	-2.014552
"91593"	273.088124	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M-H"	-1.007276
"531154"	410.135824	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M-H"	-1.007276
"905675"	136.040424	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-H"	-1.007276
"62361"	290.114671	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M-2H+NH4"	16.019271
"495963"	427.162371	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M-2H+NH4"	16.019271
"870849"	153.066971	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-2H+NH4"	16.019271
"37657"	295.070066	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M-2H+Na"	20.974666
"477218"	432.117766	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M-2H+Na"	20.974666
"857205"	158.022366	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-2H+Na"	20.974666
"1632208"	158.022366	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Na-2H"	20.974666
"104363"	154.028763	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M-H+Cl"	33.962126
"545015"	222.552613	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M-H+Cl"	33.962126
"939989"	85.504913	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-H+Cl"	33.962126
"279272"	309.064802	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+Cl"	34.969402
"664040"	446.112502	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+Cl"	34.969402
"1280085"	172.017102	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Cl"	34.969402
"23379"	311.044006	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M-2H+K"	36.948606
"458564"	448.091706	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M-2H+K"	36.948606
"840744"	173.996306	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-2H+K"	36.948606
"1556938"	173.996306	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+K-2H"	36.948606
"945555"	182.045894	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-H+HCOOH"	44.998194
"368150"	319.093601	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+HCOOH-H"	44.998201
"353128"	333.109251	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+Hac-H"	59.013851
"1499773"	196.061551	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Hac-H"	59.013851
"959292"	204.027851	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-H+NaCOOH"	66.980151
"123879"	172.017102	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+2Cl"	69.938804
"562345"	240.540952	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+2Cl"	69.938804
"1030049"	103.493252	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2Cl"	69.938804
"1255097"	215.966585	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Br"	78.918885
"1315359"	218.022572	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Cl+HCOOH"	80.974872
"1327390"	240.004529	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Cl+NaCOOH"	102.956829
"918451"	250.033286	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M-H+CF3COOH"	112.985586
"1292973"	286.009964	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Cl+CF3COOH"	148.962264
"1376604"	102.035024	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H-2H2O"	-35.012676
"1391916"	120.045	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H-H2O"	-17.0027
"288323"	275.102676	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+H"	1.007276
"680744"	412.150376	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+H"	1.007276
"1359280"	138.054976	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H"	1.007276
"129983"	138.054976	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+2H"	2.014552
"575011"	206.578826	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+2H"	2.014552
"1039192"	69.531126	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2H"	2.014552
"207701"	92.3724093333333	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+3H"	3.021828
"653458"	138.054976	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+3H"	3.021828
"1169397"	46.6898426666667	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+3H"	3.021828
"428660"	292.129223	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+NH4"	18.033823
"789655"	429.176923	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+NH4"	18.033823
"1688902"	155.081523	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+NH4"	18.033823
"332076"	146.5682495	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+H+NH4"	19.041099
"735799"	215.0920995	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+H+NH4"	19.041099
"1489619"	78.0443995	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H+NH4"	19.041099
"404291"	297.084618	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+Na"	22.989218
"765286"	434.132318	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+Na"	22.989218
"1614479"	160.036918	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Na"	22.989218
"320140"	149.045947	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+H+Na"	23.996494
"712561"	217.569797	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+H+Na"	23.996494
"1463100"	80.522097	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H+Na"	23.996494
"1058536"	54.0171566666667	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2H+Na"	25.00377
"1263495"	170.081186	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+CH3OH+H"	33.033486
"380975"	313.058558	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+K"	38.963158
"750359"	450.106258	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+K"	38.963158
"1551688"	176.010858	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+K"	38.963158
"312509"	157.032917	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+H+K"	39.970434
"704566"	225.556767	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+H+K"	39.970434
"1460210"	88.509067	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H+K"	39.970434
"249183"	316.129226	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+ACN+H"	42.033826
"1219705"	179.081526	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+ACN+H"	42.033826
"1207964"	90.044401	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+ACN+2H"	43.041102
"202295"	319.06656	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+2Na-H"	44.97116
"640398"	456.11426	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+2Na-H"	44.97116
"1139527"	182.01886	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2Na-H"	44.97116
"177350"	160.036918	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+2Na"	45.978436
"621282"	228.560768	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+2Na"	45.978436
"1123695"	91.513068	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2Na"	45.978436
"1406124"	61.3444706666667	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H+2Na"	46.985712
"1434959"	184.060446	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H+HCOOH"	47.012746
"224655"	165.06994	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+3H2O+2H"	56.04448
"1514903"	198.11249	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+IsoProp+H"	61.06479
"415682"	168.023888	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+Na+K"	61.952376
"775583"	236.547738	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+Na+K"	61.952376
"1673013"	99.500038	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Na+K"	61.952376
"260626"	338.111168	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+ACN+Na"	64.015768
"1236619"	201.063468	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+ACN+Na"	64.015768
"1723319"	201.086993	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+NH4+HCOOH"	64.039293
"1184297"	68.6717846666667	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+3Na"	68.967654
"1651270"	206.042388	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Na+HCOOH"	68.994688
"158134"	351.01444	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+2K-H"	76.91904
"598666"	488.06214	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+2K-H"	76.91904
"1085484"	213.96674	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2K-H"	76.91904
"141811"	176.010858	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"2M+2K"	77.926316
"584781"	244.534708	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"3M+2K"	77.926316
"1069900"	107.487008	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2K"	77.926316
"1101646"	215.981292	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2K+H"	78.933592
"1339980"	216.068907	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+DMSO+H"	79.021207
"1008510"	220.108076	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2ACN+H"	83.060376
"1527728"	221.101708	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+IsoProp+Na+H"	84.054008
"991138"	110.557676	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+2ACN+2H"	84.067652
"1590867"	222.016328	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+K+HCOOH"	84.968628
"1419809"	252.047838	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+H+CF3COOH"	115.000138
"1150101"	131.070951	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+3ACN+2H"	125.094202
"1702934"	269.074385	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+NH4+CF3COOH"	132.026685
"1644053"	274.02978	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+Na+CF3COOH"	136.98208
"1581890"	290.00372	"C14394"	"4-Nitrotoluene;1-Methyl-4-nitrobenzene"	"C7H7NO2"	"137.0477"	"M+K+CF3COOH"	152.95602
"811160"	118.0783	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M"	0
"980318"	99.05991	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-H2O-H"	-19.01839
"72934"	77.7115906666667	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M-3H"	-3.021828
"514682"	117.071024	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M-3H"	-3.021828
"892483"	38.3521573333333	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-3H"	-3.021828
"12164"	117.071024	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M-2H"	-2.014552
"452942"	176.110174	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M-2H"	-2.014552
"828431"	58.031874	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-2H"	-2.014552
"91463"	235.149324	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M-H"	-1.007276
"533461"	353.227624	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M-H"	-1.007276
"906880"	117.071024	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-H"	-1.007276
"59917"	252.175871	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M-2H+NH4"	16.019271
"500330"	370.254171	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M-2H+NH4"	16.019271
"879351"	134.097571	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-2H+NH4"	16.019271
"43236"	257.131266	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M-2H+Na"	20.974666
"485592"	375.209566	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M-2H+Na"	20.974666
"854038"	139.052966	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-2H+Na"	20.974666
"1626851"	139.052966	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Na-2H"	20.974666
"107390"	135.059363	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M-H+Cl"	33.962126
"549137"	194.098513	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M-H+Cl"	33.962126
"941558"	76.020213	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-H+Cl"	33.962126
"277924"	271.126002	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+Cl"	34.969402
"667795"	389.204302	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+Cl"	34.969402
"1279838"	153.047702	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Cl"	34.969402
"26769"	273.105206	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M-2H+K"	36.948606
"467424"	391.183506	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M-2H+K"	36.948606
"847417"	155.026906	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-2H+K"	36.948606
"1564339"	155.026906	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+K-2H"	36.948606
"943843"	163.076494	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-H+HCOOH"	44.998194
"368260"	281.154801	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+HCOOH-H"	44.998201
"355425"	295.170451	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+Hac-H"	59.013851
"1504257"	177.092151	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Hac-H"	59.013851
"967425"	185.058451	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-H+NaCOOH"	66.980151
"122898"	153.047702	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+2Cl"	69.938804
"560270"	212.086852	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+2Cl"	69.938804
"1036361"	94.008552	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2Cl"	69.938804
"1253021"	196.997185	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Br"	78.918885
"1318022"	199.053172	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Cl+HCOOH"	80.974872
"1332967"	221.035129	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Cl+NaCOOH"	102.956829
"918561"	231.063886	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M-H+CF3COOH"	112.985586
"1293083"	267.040564	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Cl+CF3COOH"	148.962264
"1374526"	83.065624	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H-2H2O"	-35.012676
"1389839"	101.0756	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H-H2O"	-17.0027
"290619"	237.163876	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+H"	1.007276
"685227"	355.242176	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+H"	1.007276
"1357202"	119.085576	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H"	1.007276
"134467"	119.085576	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+2H"	2.014552
"575121"	178.124726	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+2H"	2.014552
"1045013"	60.046426	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2H"	2.014552
"212913"	79.7261426666667	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+3H"	3.021828
"656848"	119.085576	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+3H"	3.021828
"1173881"	40.3667093333333	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+3H"	3.021828
"430593"	254.190423	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+NH4"	18.033823
"792681"	372.268723	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+NH4"	18.033823
"1694480"	136.112123	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+NH4"	18.033823
"338384"	127.5988495	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+H+NH4"	19.041099
"731903"	186.6379995	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+H+NH4"	19.041099
"1488639"	68.5596995	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H+NH4"	19.041099
"403308"	259.145818	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+Na"	22.989218
"765398"	377.224118	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+Na"	22.989218
"1611311"	141.067518	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Na"	22.989218
"325719"	130.076547	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+H+Na"	23.996494
"713765"	189.115697	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+H+Na"	23.996494
"1467586"	71.037397	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H+Na"	23.996494
"1058646"	47.6940233333333	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2H+Na"	25.00377
"1263605"	151.111786	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+CH3OH+H"	33.033486
"386554"	275.119758	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+K"	38.963158
"747553"	393.198058	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+K"	38.963158
"1548518"	157.041458	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+K"	38.963158
"311525"	138.063517	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+H+K"	39.970434
"706014"	197.102667	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+H+K"	39.970434
"1459595"	79.024367	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H+K"	39.970434
"244920"	278.190426	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+ACN+H"	42.033826
"1217628"	160.112126	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+ACN+H"	42.033826
"1206981"	80.559701	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+ACN+2H"	43.041102
"197665"	281.12776	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+2Na-H"	44.97116
"636133"	399.20606	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+2Na-H"	44.97116
"1139638"	163.04946	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2Na-H"	44.97116
"179647"	141.067518	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+2Na"	45.978436
"620299"	200.106668	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+2Na"	45.978436
"1122710"	82.028368	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2Na"	45.978436
"1402953"	55.0213373333333	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H+2Na"	46.985712
"1433978"	165.091046	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H+HCOOH"	47.012746
"223672"	146.10054	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+3H2O+2H"	56.04448
"1512828"	179.14309	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+IsoProp+H"	61.06479
"418709"	149.054488	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+Na+K"	61.952376
"776789"	208.093638	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+Na+K"	61.952376
"1673123"	90.015338	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Na+K"	61.952376
"259643"	300.172368	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+ACN+Na"	64.015768
"1233447"	182.094068	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+ACN+Na"	64.015768
"1720148"	182.117593	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+NH4+HCOOH"	64.039293
"1181125"	62.3486513333333	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+3Na"	68.967654
"1651501"	187.072988	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Na+HCOOH"	68.994688
"157881"	313.07564	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+2K-H"	76.91904
"598534"	431.15394	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+2K-H"	76.91904
"1086328"	194.99734	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2K-H"	76.91904
"141557"	157.041458	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"2M+2K"	77.926316
"584891"	216.080608	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"3M+2K"	77.926316
"1070497"	98.002308	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2K"	77.926316
"1101152"	197.011892	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2K+H"	78.933592
"1340090"	197.099507	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+DMSO+H"	79.021207
"1007769"	201.138676	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2ACN+H"	83.060376
"1526746"	202.132308	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+IsoProp+Na+H"	84.054008
"990519"	101.072976	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+2ACN+2H"	84.067652
"1594257"	203.046928	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+K+HCOOH"	84.968628
"1419190"	233.078438	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+H+CF3COOH"	115.000138
"1150938"	121.586251	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+3ACN+2H"	125.094202
"1700856"	250.104985	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+NH4+CF3COOH"	132.026685
"1644163"	255.06038	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+Na+CF3COOH"	136.98208
"1582000"	271.03432	"C14395"	"alpha-Methylstyrene;1-Methyl-1-phenylethylene;2-Phenylpropene"	"C9H10"	"118.0783"	"M+K+CF3COOH"	152.95602
"802887"	120.0939	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M"	0
"978240"	101.07551	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-H2O-H"	-19.01839
"73044"	79.055324	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M-3H"	-3.021828
"511512"	119.086624	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M-3H"	-3.021828
"892593"	39.024024	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-3H"	-3.021828
"11181"	119.086624	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M-2H"	-2.014552
"455004"	179.133574	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M-2H"	-2.014552
"830728"	59.039674	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-2H"	-2.014552
"92302"	239.180524	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M-H"	-1.007276
"532110"	359.274424	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M-H"	-1.007276
"908083"	119.086624	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-H"	-1.007276
"58084"	256.207071	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M-2H+NH4"	16.019271
"500562"	376.300971	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M-2H+NH4"	16.019271
"878244"	136.113171	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-2H+NH4"	16.019271
"44684"	261.162466	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M-2H+Na"	20.974666
"484973"	381.256366	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M-2H+Na"	20.974666
"859614"	141.068566	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-2H+Na"	20.974666
"1628055"	141.068566	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Na-2H"	20.974666
"107500"	137.074963	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M-H+Cl"	33.962126
"549008"	197.121913	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M-H+Cl"	33.962126
"941668"	77.028013	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-H+Cl"	33.962126
"278398"	275.157202	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+Cl"	34.969402
"669729"	395.251102	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+Cl"	34.969402
"1278851"	155.063302	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Cl"	34.969402
"20319"	277.136406	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M-2H+K"	36.948606
"458786"	397.230306	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M-2H+K"	36.948606
"846433"	157.042506	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-2H+K"	36.948606
"1560076"	157.042506	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+K-2H"	36.948606
"943020"	165.092094	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-H+HCOOH"	44.998194
"368370"	285.186001	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+HCOOH-H"	44.998201
"355536"	299.201651	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+Hac-H"	59.013851
"1504732"	179.107751	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Hac-H"	59.013851
"967535"	187.074051	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-H+NaCOOH"	66.980151
"122643"	155.063302	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+2Cl"	69.938804
"563296"	215.110252	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+2Cl"	69.938804
"1036471"	95.016352	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2Cl"	69.938804
"1256823"	199.012785	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Br"	78.918885
"1317039"	201.068772	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Cl+HCOOH"	80.974872
"1331622"	223.050729	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Cl+NaCOOH"	102.956829
"922319"	233.079486	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M-H+CF3COOH"	112.985586
"1290279"	269.056164	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Cl+CF3COOH"	148.962264
"1376826"	85.081224	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H-2H2O"	-35.012676
"1387763"	103.0912	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H-H2O"	-17.0027
"288543"	241.195076	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+H"	1.007276
"679142"	361.288976	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+H"	1.007276
"1360595"	121.101176	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H"	1.007276
"137492"	121.101176	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+2H"	2.014552
"577054"	181.148126	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+2H"	2.014552
"1045124"	61.054226	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2H"	2.014552
"215211"	81.069876	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+3H"	3.021828
"657688"	121.101176	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+3H"	3.021828
"1177272"	41.038576	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+3H"	3.021828
"431797"	258.221623	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+NH4"	18.033823
"792791"	378.315523	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+NH4"	18.033823
"1693497"	138.127723	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+NH4"	18.033823
"340681"	129.6144495	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+H+NH4"	19.041099
"733107"	189.6613995	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+H+NH4"	19.041099
"1490937"	69.5674995	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H+NH4"	19.041099
"406700"	263.177018	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+Na"	22.989218
"766966"	383.270918	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+Na"	22.989218
"1615795"	143.083118	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Na"	22.989218
"327653"	132.092147	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+H+Na"	23.996494
"714969"	192.139097	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+H+Na"	23.996494
"1473528"	72.045197	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H+Na"	23.996494
"1058756"	48.36589	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2H+Na"	25.00377
"1263715"	153.127386	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+CH3OH+H"	33.033486
"386664"	279.150958	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+K"	38.963158
"747663"	399.244858	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+K"	38.963158
"1554584"	159.057058	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+K"	38.963158
"313339"	140.079117	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+H+K"	39.970434
"706374"	200.126067	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+H+K"	39.970434
"1460801"	80.032167	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H+K"	39.970434
"250377"	282.221626	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+ACN+H"	42.033826
"1217738"	162.127726	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+ACN+H"	42.033826
"1203811"	81.567501	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+ACN+2H"	43.041102
"197775"	285.15896	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+2Na-H"	44.97116
"636243"	405.25286	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+2Na-H"	44.97116
"1136468"	165.06506	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2Na-H"	44.97116
"178662"	143.083118	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+2Na"	45.978436
"622960"	203.130068	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+2Na"	45.978436
"1124644"	83.036168	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2Na"	45.978436
"1404157"	55.693204	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H+2Na"	46.985712
"1437002"	167.106646	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H+HCOOH"	47.012746
"223782"	148.11614	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+3H2O+2H"	56.04448
"1514030"	181.15869	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+H"	61.06479
"418091"	151.070088	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+Na+K"	61.952376
"777990"	211.117038	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+Na+K"	61.952376
"1676150"	91.023138	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Na+K"	61.952376
"262305"	304.203568	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+ACN+Na"	64.015768
"1236475"	184.109668	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+ACN+Na"	64.015768
"1715883"	184.133193	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+NH4+HCOOH"	64.039293
"1185610"	63.020518	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+3Na"	68.967654
"1653317"	189.088588	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Na+HCOOH"	68.994688
"158356"	317.10684	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+2K-H"	76.91904
"598519"	437.20074	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+2K-H"	76.91904
"1084615"	197.01294	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2K-H"	76.91904
"141751"	159.057058	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"2M+2K"	77.926316
"588282"	219.104008	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"3M+2K"	77.926316
"1070608"	99.010108	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2K"	77.926316
"1107096"	199.027492	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2K+H"	78.933592
"1340202"	199.115107	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+DMSO+H"	79.021207
"1008732"	203.154276	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2ACN+H"	83.060376
"1530138"	204.147908	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+Na+H"	84.054008
"999865"	102.080776	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+2ACN+2H"	84.067652
"1594367"	205.062528	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+K+HCOOH"	84.968628
"1418206"	235.094038	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+H+CF3COOH"	115.000138
"1148498"	122.594051	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+3ACN+2H"	125.094202
"1700966"	252.120585	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+NH4+CF3COOH"	132.026685
"1640993"	257.07598	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+Na+CF3COOH"	136.98208
"1582110"	273.04992	"C14396"	"Cumene;Isopropylbenzene"	"C9H12"	"120.0939"	"M+K+CF3COOH"	152.95602
"812474"	201.9781	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M"	0
"984914"	182.95971	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-H2O-H"	-19.01839
"72062"	133.644790666667	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M-3H"	-3.021828
"515995"	200.970824	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M-3H"	-3.021828
"885050"	66.3187573333333	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-3H"	-3.021828
"15266"	200.970824	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M-2H"	-2.014552
"453771"	301.959874	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M-2H"	-2.014552
"832306"	99.981774	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-2H"	-2.014552
"93755"	402.948924	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M-H"	-1.007276
"533636"	604.927024	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M-H"	-1.007276
"910387"	200.970824	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-H"	-1.007276
"61358"	419.975471	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M-2H+NH4"	16.019271
"502136"	621.953571	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M-2H+NH4"	16.019271
"875557"	217.997371	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-2H+NH4"	16.019271
"46341"	424.930866	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M-2H+Na"	20.974666
"485572"	626.908966	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M-2H+Na"	20.974666
"860819"	222.952766	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-2H+Na"	20.974666
"1632907"	222.952766	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Na-2H"	20.974666
"106880"	218.959163	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M-H+Cl"	33.962126
"545345"	319.948213	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M-H+Cl"	33.962126
"936672"	117.970113	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-H+Cl"	33.962126
"280574"	438.925602	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+Cl"	34.969402
"666558"	640.903702	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+Cl"	34.969402
"1278965"	236.947502	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Cl"	34.969402
"29178"	440.904806	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M-2H+K"	36.948606
"458896"	642.882906	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M-2H+K"	36.948606
"846541"	238.926706	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-2H+K"	36.948606
"1562373"	238.926706	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+K-2H"	36.948606
"950256"	246.976294	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-H+HCOOH"	44.998194
"373943"	448.954401	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+HCOOH-H"	44.998201
"353456"	462.970051	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+Hac-H"	59.013851
"1503383"	260.991951	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Hac-H"	59.013851
"972018"	268.958251	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-H+NaCOOH"	66.980151
"116550"	236.947502	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+2Cl"	69.938804
"558300"	337.936552	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+2Cl"	69.938804
"1036581"	135.958452	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2Cl"	69.938804
"1255431"	280.896985	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Br"	78.918885
"1319179"	282.952972	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Cl+HCOOH"	80.974872
"1328816"	304.934929	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Cl+NaCOOH"	102.956829
"920970"	314.963686	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M-H+CF3COOH"	112.985586
"1293304"	350.940364	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Cl+CF3COOH"	148.962264
"1373656"	166.965424	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H-2H2O"	-35.012676
"1385686"	184.9754	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H-H2O"	-17.0027
"289746"	404.963476	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+H"	1.007276
"679981"	606.941576	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+H"	1.007276
"1360703"	202.985376	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H"	1.007276
"137603"	202.985376	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+2H"	2.014552
"576434"	303.974426	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+2H"	2.014552
"1044139"	101.996326	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2H"	2.014552
"216414"	135.659342666667	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+3H"	3.021828
"654882"	202.985376	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+3H"	3.021828
"1177018"	68.3333093333333	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+3H"	3.021828
"431905"	421.990023	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+NH4"	18.033823
"793994"	623.968123	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+NH4"	18.033823
"1695794"	220.011923	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+NH4"	18.033823
"344071"	211.4986495	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+H+NH4"	19.041099
"736493"	312.4876995	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+H+NH4"	19.041099
"1491407"	110.5095995	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H+NH4"	19.041099
"407538"	426.945418	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+Na"	22.989218
"768170"	628.923518	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+Na"	22.989218
"1616268"	224.967318	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Na"	22.989218
"327032"	213.976347	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+H+Na"	23.996494
"713986"	314.965397	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+H+Na"	23.996494
"1468899"	112.987297	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H+Na"	23.996494
"1057770"	75.6606233333333	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2H+Na"	25.00377
"1262730"	235.011586	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+CH3OH+H"	33.033486
"378751"	442.919358	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+K"	38.963158
"742299"	644.897458	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+K"	38.963158
"1554978"	240.941258	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+K"	38.963158
"313452"	221.963317	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+H+K"	39.970434
"706972"	322.952367	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+H+K"	39.970434
"1461117"	120.974267	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H+K"	39.970434
"250806"	445.990026	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+ACN+H"	42.033826
"1224044"	244.011926	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+ACN+H"	42.033826
"1207804"	122.509601	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+ACN+2H"	43.041102
"197885"	448.92736	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+2Na-H"	44.97116
"635260"	650.90546	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+2Na-H"	44.97116
"1138764"	246.94926	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2Na-H"	44.97116
"182781"	224.967318	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+2Na"	45.978436
"626716"	325.956368	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+2Na"	45.978436
"1125122"	123.978268	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2Na"	45.978436
"1407549"	82.9879373333333	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H+2Na"	46.985712
"1438572"	248.990846	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H+HCOOH"	47.012746
"228632"	230.00034	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+3H2O+2H"	56.04448
"1519611"	263.04289	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+IsoProp+H"	61.06479
"418933"	232.954288	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+Na+K"	61.952376
"779563"	333.943338	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+Na+K"	61.952376
"1678814"	131.965238	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Na+K"	61.952376
"264604"	467.971968	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+ACN+Na"	64.015768
"1236950"	265.993868	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+ACN+Na"	64.015768
"1719273"	266.017393	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+NH4+HCOOH"	64.039293
"1186815"	90.3152513333333	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+3Na"	68.967654
"1656706"	270.972788	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Na+HCOOH"	68.994688
"162475"	480.87524	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+2K-H"	76.91904
"602035"	682.85334	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+2K-H"	76.91904
"1086549"	278.89714	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2K-H"	76.91904
"143362"	240.941258	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"2M+2K"	77.926316
"584020"	341.930308	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"3M+2K"	77.926316
"1073999"	139.952208	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2K"	77.926316
"1111217"	280.911692	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2K+H"	78.933592
"1344687"	280.999307	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+DMSO+H"	79.021207
"1011030"	285.038476	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2ACN+H"	83.060376
"1530249"	286.032108	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+IsoProp+Na+H"	84.054008
"1001070"	143.022876	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+2ACN+2H"	84.067652
"1594478"	286.946728	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+K+HCOOH"	84.968628
"1417223"	316.978238	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+H+CF3COOH"	115.000138
"1147270"	163.536151	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+3ACN+2H"	125.094202
"1703264"	334.004785	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+NH4+CF3COOH"	132.026685
"1635633"	338.96018	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+Na+CF3COOH"	136.98208
"1582220"	354.93412	"C14397"	"Dinitrochlorobenzene;1-Chloro-24-dinitrobenzene"	"C6H3ClN2O4"	"201.9781"	"M+K+CF3COOH"	152.95602
"803107"	102.0252	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M"	0
"979556"	83.00681	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-H2O-H"	-19.01839
"64516"	67.009524	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M-3H"	-3.021828
"516105"	101.017924	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M-3H"	-3.021828
"885159"	33.001124	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-3H"	-3.021828
"12496"	101.017924	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M-2H"	-2.014552
"453149"	152.030524	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M-2H"	-2.014552
"827670"	50.005324	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-2H"	-2.014552
"88755"	203.043124	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M-H"	-1.007276
"529409"	305.068324	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M-H"	-1.007276
"906116"	101.017924	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-H"	-1.007276
"62197"	220.069671	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M-2H+NH4"	16.019271
"500051"	322.094871	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M-2H+NH4"	16.019271
"879435"	118.044471	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-2H+NH4"	16.019271
"44658"	225.025066	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M-2H+Na"	20.974666
"486041"	327.050266	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M-2H+Na"	20.974666
"861295"	122.999866	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-2H+Na"	20.974666
"1631558"	122.999866	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Na-2H"	20.974666
"107719"	119.006263	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M-H+Cl"	33.962126
"543268"	170.018863	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M-H+Cl"	33.962126
"936782"	67.993663	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-H+Cl"	33.962126
"278618"	239.019802	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+Cl"	34.969402
"665574"	341.045002	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+Cl"	34.969402
"1287219"	136.994602	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Cl"	34.969402
"27101"	240.999006	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M-2H+K"	36.948606
"467754"	343.024206	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M-2H+K"	36.948606
"845558"	138.973806	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-2H+K"	36.948606
"1562483"	138.973806	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+K-2H"	36.948606
"944898"	147.023394	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-H+HCOOH"	44.998194
"372957"	249.048601	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+HCOOH-H"	44.998201
"354659"	263.064251	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+Hac-H"	59.013851
"1502400"	161.039051	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Hac-H"	59.013851
"972128"	169.005351	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-H+NaCOOH"	66.980151
"117753"	136.994602	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+2Cl"	69.938804
"559503"	188.007202	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+2Cl"	69.938804
"1036326"	85.982002	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2Cl"	69.938804
"1256270"	180.944085	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Br"	78.918885
"1316531"	183.000072	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Cl+HCOOH"	80.974872
"1328926"	204.982029	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Cl+NaCOOH"	102.956829
"921078"	215.010786	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M-H+CF3COOH"	112.985586
"1296695"	250.987464	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Cl+CF3COOH"	148.962264
"1377776"	67.012524	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H-2H2O"	-35.012676
"1391263"	85.0225	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H-H2O"	-17.0027
"289857"	205.057676	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+H"	1.007276
"682277"	307.082876	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+H"	1.007276
"1361910"	103.032476	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H"	1.007276
"134799"	103.032476	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+2H"	2.014552
"578005"	154.045076	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+2H"	2.014552
"1047529"	52.019876	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2H"	2.014552
"215796"	69.024076	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+3H"	3.021828
"654628"	103.032476	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+3H"	3.021828
"1174211"	35.015676	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+3H"	3.021828
"430922"	222.084223	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+NH4"	18.033823
"794834"	324.109423	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+NH4"	18.033823
"1694811"	120.059023	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+NH4"	18.033823
"341995"	111.5457495	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+H+NH4"	19.041099
"733324"	162.5583495	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+H+NH4"	19.041099
"1488967"	60.5331495	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H+NH4"	19.041099
"407284"	227.039618	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+Na"	22.989218
"768644"	329.064818	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+Na"	22.989218
"1614918"	125.014418	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Na"	22.989218
"327143"	114.023447	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+H+Na"	23.996494
"717376"	165.036047	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+H+Na"	23.996494
"1471196"	63.010847	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H+Na"	23.996494
"1058973"	42.34299	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2H+Na"	25.00377
"1262840"	135.058686	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+CH3OH+H"	33.033486
"378499"	243.013558	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+K"	38.963158
"743504"	345.038758	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+K"	38.963158
"1554316"	140.988358	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+K"	38.963158
"310033"	122.010417	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+H+K"	39.970434
"706959"	173.023017	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+H+K"	39.970434
"1461108"	70.997817	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H+K"	39.970434
"249616"	246.084226	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+ACN+H"	42.033826
"1225333"	144.059026	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+ACN+H"	42.033826
"1209009"	72.533151	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+ACN+2H"	43.041102
"203580"	249.02156	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+2Na-H"	44.97116
"635370"	351.04676	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+2Na-H"	44.97116
"1141061"	146.99636	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2Na-H"	44.97116
"182164"	125.014418	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+2Na"	45.978436
"626462"	176.027018	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+2Na"	45.978436
"1125233"	74.001818	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2Na"	45.978436
"1403282"	49.670304	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H+2Na"	46.985712
"1437587"	149.037946	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H+HCOOH"	47.012746
"228377"	130.04744	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+3H2O+2H"	56.04448
"1517532"	163.08999	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+IsoProp+H"	61.06479
"420135"	133.001388	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+Na+K"	61.952376
"781860"	184.013988	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+Na+K"	61.952376
"1673451"	81.988788	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Na+K"	61.952376
"263252"	268.066168	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+ACN+Na"	64.015768
"1237063"	166.040968	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+ACN+Na"	64.015768
"1720476"	166.064493	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+NH4+HCOOH"	64.039293
"1182551"	56.997618	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+3Na"	68.967654
"1654630"	171.019888	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Na+HCOOH"	68.994688
"162585"	280.96944	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+2K-H"	76.91904
"601052"	382.99464	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+2K-H"	76.91904
"1084588"	178.94424	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2K-H"	76.91904
"143229"	140.988358	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"2M+2K"	77.926316
"586317"	192.000958	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"3M+2K"	77.926316
"1073016"	89.975758	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2K"	77.926316
"1110233"	180.958792	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2K+H"	78.933592
"1344798"	181.046407	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+DMSO+H"	79.021207
"1011141"	185.085576	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2ACN+H"	83.060376
"1533639"	186.079208	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+IsoProp+Na+H"	84.054008
"1001180"	93.046426	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+2ACN+2H"	84.067652
"1594588"	186.993828	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+K+HCOOH"	84.968628
"1416969"	217.025338	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+H+CF3COOH"	115.000138
"1147382"	113.559701	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+3ACN+2H"	125.094202
"1703374"	234.051885	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+NH4+CF3COOH"	132.026685
"1636836"	239.00728	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+Na+CF3COOH"	136.98208
"1582330"	254.98122	"C14398"	"Ethylenethiourea;2-Mercaptoimidazoline"	"C3H6N2S"	"102.0252"	"M+K+CF3COOH"	152.95602
"806133"	127.9796	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M"	0
"982946"	108.96121	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-H2O-H"	-19.01839
"64626"	84.3124573333333	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M-3H"	-3.021828
"512935"	126.972324	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M-3H"	-3.021828
"884176"	41.6525906666667	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-3H"	-3.021828
"12605"	126.972324	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M-2H"	-2.014552
"452896"	190.962124	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M-2H"	-2.014552
"829969"	62.982524	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-2H"	-2.014552
"92514"	254.951924	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M-H"	-1.007276
"532318"	382.931524	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M-H"	-1.007276
"909507"	126.972324	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-H"	-1.007276
"60967"	271.978471	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M-2H+NH4"	16.019271
"501254"	399.958071	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M-2H+NH4"	16.019271
"879849"	143.998871	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-2H+NH4"	16.019271
"45133"	276.933866	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M-2H+Na"	20.974666
"485424"	404.913466	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M-2H+Na"	20.974666
"861772"	148.954266	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-2H+Na"	20.974666
"1632398"	148.954266	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Na-2H"	20.974666
"107831"	144.960663	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M-H+Cl"	33.962126
"544471"	208.950463	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M-H+Cl"	33.962126
"936892"	80.970863	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-H+Cl"	33.962126
"277635"	290.928602	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+Cl"	34.969402
"665684"	418.908202	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+Cl"	34.969402
"1287208"	162.949002	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Cl"	34.969402
"30127"	292.907806	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M-2H+K"	36.948606
"466771"	420.887406	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M-2H+K"	36.948606
"844940"	164.928206	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-2H+K"	36.948606
"1559313"	164.928206	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+K-2H"	36.948606
"944279"	172.977794	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-H+HCOOH"	44.998194
"371974"	300.957401	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+HCOOH-H"	44.998201
"358051"	314.973051	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+Hac-H"	59.013851
"1507250"	186.993451	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Hac-H"	59.013851
"973988"	194.959751	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-H+NaCOOH"	66.980151
"123330"	162.949002	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+2Cl"	69.938804
"564352"	226.938802	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+2Cl"	69.938804
"1033882"	98.959202	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2Cl"	69.938804
"1253459"	206.898485	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Br"	78.918885
"1312628"	208.954472	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Cl+HCOOH"	80.974872
"1329036"	230.936429	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Cl+NaCOOH"	102.956829
"924105"	240.965186	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M-H+CF3COOH"	112.985586
"1298628"	276.941864	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Cl+CF3COOH"	148.962264
"1374968"	92.966924	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H-2H2O"	-35.012676
"1395384"	110.9769	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H-H2O"	-17.0027
"293979"	256.966476	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+H"	1.007276
"684574"	384.946076	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+H"	1.007276
"1357643"	128.986876	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H"	1.007276
"133814"	128.986876	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+2H"	2.014552
"570458"	192.976676	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+2H"	2.014552
"1046545"	64.997076	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2H"	2.014552
"213353"	86.3270093333334	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+3H"	3.021828
"653643"	128.986876	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+3H"	3.021828
"1167760"	43.6671426666667	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+3H"	3.021828
"428843"	273.993023	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+NH4"	18.033823
"788745"	401.972623	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+NH4"	18.033823
"1690546"	146.013423	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+NH4"	18.033823
"334449"	137.5001495	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+H+NH4"	19.041099
"732339"	201.4899495	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+H+NH4"	19.041099
"1482878"	73.5103495	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H+NH4"	19.041099
"403746"	278.948418	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+Na"	22.989218
"759274"	406.928018	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+Na"	22.989218
"1608466"	150.968818	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Na"	22.989218
"325064"	139.977847	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+H+Na"	23.996494
"714204"	203.967647	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+H+Na"	23.996494
"1472400"	75.988047	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H+Na"	23.996494
"1062364"	50.9944566666667	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2H+Na"	25.00377
"1267689"	161.013086	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+CH3OH+H"	33.033486
"381525"	294.922358	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+K"	38.963158
"744706"	422.901958	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+K"	38.963158
"1554063"	166.942758	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+K"	38.963158
"309413"	147.964817	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+H+K"	39.970434
"704023"	211.954617	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+H+K"	39.970434
"1461229"	83.975017	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H+K"	39.970434
"251375"	297.993026	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+ACN+H"	42.033826
"1224016"	170.013426	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+ACN+H"	42.033826
"1208145"	85.510351	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+ACN+2H"	43.041102
"202112"	300.93036	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+2Na-H"	44.97116
"639846"	428.90996	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+2Na-H"	44.97116
"1141531"	172.95076	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2Na-H"	44.97116
"180084"	150.968818	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+2Na"	45.978436
"625111"	214.958618	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+2Na"	45.978436
"1123153"	86.979018	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2Na"	45.978436
"1400113"	58.3217706666667	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H+2Na"	46.985712
"1434416"	174.992346	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H+HCOOH"	47.012746
"224111"	156.00184	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+3H2O+2H"	56.04448
"1517278"	189.04439	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+IsoProp+H"	61.06479
"419518"	158.955788	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+Na+K"	61.952376
"776135"	222.945588	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+Na+K"	61.952376
"1672466"	94.965988	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Na+K"	61.952376
"263362"	319.974968	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+ACN+Na"	64.015768
"1236807"	191.995368	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+ACN+Na"	64.015768
"1723868"	192.018893	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+NH4+HCOOH"	64.039293
"1188131"	65.6490846666667	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+3Na"	68.967654
"1655833"	196.974288	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Na+HCOOH"	68.994688
"162696"	332.87824	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+2K-H"	76.91904
"602256"	460.85784	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+2K-H"	76.91904
"1090050"	204.89864	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2K-H"	76.91904
"150145"	166.942758	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"2M+2K"	77.926316
"586427"	230.932558	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"3M+2K"	77.926316
"1074221"	102.952958	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2K"	77.926316
"1113990"	206.913192	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2K+H"	78.933592
"1341628"	207.000807	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+DMSO+H"	79.021207
"1014533"	211.039976	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2ACN+H"	83.060376
"1535937"	212.033608	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+IsoProp+Na+H"	84.054008
"1003477"	106.023626	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+2ACN+2H"	84.067652
"1597978"	212.948228	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+K+HCOOH"	84.968628
"1420359"	242.979738	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+H+CF3COOH"	115.000138
"1152840"	126.536901	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+3ACN+2H"	125.094202
"1703484"	260.006285	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+NH4+CF3COOH"	132.026685
"1636946"	264.96168	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+Na+CF3COOH"	136.98208
"1582440"	280.93562	"C14399"	"13-Dichloro-2-propanol"	"C3H6Cl2O"	"127.9796"	"M+K+CF3COOH"	152.95602
"814993"	145.9457	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M"	0
"979777"	126.92731	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-H2O-H"	-19.01839
"69113"	96.2898573333333	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M-3H"	-3.021828
"505391"	144.938424	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M-3H"	-3.021828
"884286"	47.6412906666667	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-3H"	-3.021828
"13084"	144.938424	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M-2H"	-2.014552
"450090"	217.911274	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M-2H"	-2.014552
"829956"	71.965574	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-2H"	-2.014552
"92865"	290.884124	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M-H"	-1.007276
"532549"	436.829824	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M-H"	-1.007276
"909620"	144.938424	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-H"	-1.007276
"60714"	307.910671	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M-2H+NH4"	16.019271
"500882"	453.856371	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M-2H+NH4"	16.019271
"879295"	161.964971	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-2H+NH4"	16.019271
"45244"	312.866066	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M-2H+Na"	20.974666
"485660"	458.811766	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M-2H+Na"	20.974666
"862977"	166.920366	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-2H+Na"	20.974666
"1632145"	166.920366	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Na-2H"	20.974666
"108550"	162.926763	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M-H+Cl"	33.962126
"542395"	235.899613	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M-H+Cl"	33.962126
"935908"	89.953913	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-H+Cl"	33.962126
"277745"	326.860802	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+Cl"	34.969402
"665794"	472.806502	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+Cl"	34.969402
"1286469"	180.915102	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Cl"	34.969402
"24040"	328.840006	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M-2H+K"	36.948606
"466881"	474.785706	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M-2H+K"	36.948606
"845778"	182.894306	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-2H+K"	36.948606
"1559423"	182.894306	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+K-2H"	36.948606
"945118"	190.943894	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-H+HCOOH"	44.998194
"372084"	336.889601	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+HCOOH-H"	44.998201
"358161"	350.905251	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+Hac-H"	59.013851
"1506267"	204.959551	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Hac-H"	59.013851
"970526"	212.925851	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-H+NaCOOH"	66.980151
"121253"	180.915102	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+2Cl"	69.938804
"561908"	253.887952	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+2Cl"	69.938804
"1031805"	107.942252	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2Cl"	69.938804
"1252476"	224.864585	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Br"	78.918885
"1312738"	226.920572	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Cl+HCOOH"	80.974872
"1329146"	248.902529	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Cl+NaCOOH"	102.956829
"924215"	258.931286	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M-H+CF3COOH"	112.985586
"1300195"	294.907964	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Cl+CF3COOH"	148.962264
"1371797"	110.933024	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H-2H2O"	-35.012676
"1396228"	128.943	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H-H2O"	-17.0027
"295184"	292.898676	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+H"	1.007276
"686873"	438.844376	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+H"	1.007276
"1360671"	146.952976	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H"	1.007276
"133924"	146.952976	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+2H"	2.014552
"576768"	219.925826	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+2H"	2.014552
"1049209"	73.980126	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2H"	2.014552
"216989"	98.3044093333333	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+3H"	3.021828
"655576"	146.952976	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+3H"	3.021828
"1168964"	49.6558426666667	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+3H"	3.021828
"427494"	309.925223	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+NH4"	18.033823
"789949"	455.870923	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+NH4"	18.033823
"1684094"	163.979523	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+NH4"	18.033823
"338935"	155.4662495	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+H+NH4"	19.041099
"733909"	228.4390995	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+H+NH4"	19.041099
"1484083"	82.4933995	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H+NH4"	19.041099
"402764"	314.880618	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+Na"	22.989218
"766677"	460.826318	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+Na"	22.989218
"1615137"	168.934918	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Na"	22.989218
"320799"	157.943947	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+H+Na"	23.996494
"713221"	230.916797	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+H+Na"	23.996494
"1470323"	84.971097	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H+Na"	23.996494
"1061380"	56.9831566666667	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2H+Na"	25.00377
"1268526"	178.979186	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+CH3OH+H"	33.033486
"381635"	330.854558	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+K"	38.963158
"744816"	476.800258	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+K"	38.963158
"1548704"	184.908858	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+K"	38.963158
"309161"	165.930917	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+H+K"	39.970434
"703770"	238.903767	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+H+K"	39.970434
"1454671"	92.958067	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H+K"	39.970434
"251098"	333.925226	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+ACN+H"	42.033826
"1222180"	187.979526	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+ACN+H"	42.033826
"1208745"	94.493401	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+ACN+2H"	43.041102
"202222"	336.86256	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+2Na-H"	44.97116
"642756"	482.80826	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+2Na-H"	44.97116
"1143463"	190.91686	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2Na-H"	44.97116
"186389"	168.934918	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+2Na"	45.978436
"624494"	241.907768	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+2Na"	45.978436
"1121073"	95.962068	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2Na"	45.978436
"1401317"	64.3104706666667	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H+2Na"	46.985712
"1435620"	192.958446	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H+HCOOH"	47.012746
"226410"	173.96794	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+3H2O+2H"	56.04448
"1519212"	207.01049	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+IsoProp+H"	61.06479
"421087"	176.921888	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+Na+K"	61.952376
"775152"	249.894738	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+Na+K"	61.952376
"1679514"	103.949038	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Na+K"	61.952376
"263474"	355.907168	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+ACN+Na"	64.015768
"1238013"	209.961468	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+ACN+Na"	64.015768
"1722889"	209.984993	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+NH4+HCOOH"	64.039293
"1193228"	71.6377846666667	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+3Na"	68.967654
"1664944"	214.940388	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Na+HCOOH"	68.994688
"168276"	368.81044	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+2K-H"	76.91904
"607837"	514.75614	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+2K-H"	76.91904
"1093440"	222.86474	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2K-H"	76.91904
"154630"	184.908858	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"2M+2K"	77.926316
"587633"	257.881708	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"3M+2K"	77.926316
"1075425"	111.936008	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2K"	77.926316
"1109727"	224.879292	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2K+H"	78.933592
"1346113"	224.966907	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+DMSO+H"	79.021207
"1017922"	229.006076	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2ACN+H"	83.060376
"1534954"	229.999708	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+IsoProp+Na+H"	84.054008
"999214"	115.006676	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+2ACN+2H"	84.067652
"1600278"	230.914328	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+K+HCOOH"	84.968628
"1427034"	260.945838	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+H+CF3COOH"	115.000138
"1147844"	135.519951	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+3ACN+2H"	125.094202
"1700314"	277.972385	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+NH4+CF3COOH"	132.026685
"1644712"	282.92778	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+Na+CF3COOH"	136.98208
"1582550"	298.90172	"C14400"	"123-Trichloropropane"	"C3H5Cl3"	"145.9457"	"M+K+CF3COOH"	152.95602
"806353"	122.0844	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M"	0
"976607"	103.06601	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-H2O-H"	-19.01839
"65942"	80.382324	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M-3H"	-3.021828
"502862"	121.077124	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M-3H"	-3.021828
"882572"	39.687524	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-3H"	-3.021828
"12466"	121.077124	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M-2H"	-2.014552
"453481"	182.119324	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M-2H"	-2.014552
"831526"	60.034924	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-2H"	-2.014552
"91274"	243.161524	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M-H"	-1.007276
"530833"	365.245924	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M-H"	-1.007276
"907540"	121.077124	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-H"	-1.007276
"61552"	260.188071	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M-2H+NH4"	16.019271
"501961"	382.272471	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M-2H+NH4"	16.019271
"879048"	138.103671	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-2H+NH4"	16.019271
"46331"	265.143466	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M-2H+Na"	20.974666
"486136"	387.227866	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M-2H+Na"	20.974666
"863452"	143.059066	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-2H+Na"	20.974666
"1633347"	143.059066	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Na-2H"	20.974666
"108419"	139.065463	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M-H+Cl"	33.962126
"545786"	200.107663	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M-H+Cl"	33.962126
"937113"	78.023263	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-H+Cl"	33.962126
"277855"	279.138202	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+Cl"	34.969402
"666997"	401.222602	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+Cl"	34.969402
"1285606"	157.053802	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Cl"	34.969402
"29983"	281.117406	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M-2H+K"	36.948606
"466991"	403.201806	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M-2H+K"	36.948606
"843702"	159.033006	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-2H+K"	36.948606
"1562813"	159.033006	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+K-2H"	36.948606
"943405"	167.082594	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-H+HCOOH"	44.998194
"371101"	289.167001	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+HCOOH-H"	44.998201
"358999"	303.182651	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+Hac-H"	59.013851
"1505647"	181.098251	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Hac-H"	59.013851
"969906"	189.064551	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-H+NaCOOH"	66.980151
"121363"	157.053802	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+2Cl"	69.938804
"563841"	218.096002	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+2Cl"	69.938804
"1035562"	96.011602	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2Cl"	69.938804
"1254775"	201.003285	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Br"	78.918885
"1315036"	203.059272	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Cl+HCOOH"	80.974872
"1323790"	225.041229	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Cl+NaCOOH"	102.956829
"922502"	235.069986	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M-H+CF3COOH"	112.985586
"1298117"	271.046664	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Cl+CF3COOH"	148.962264
"1381750"	87.071724	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H-2H2O"	-35.012676
"1396700"	105.0817	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H-H2O"	-17.0027
"291282"	245.176076	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+H"	1.007276
"688076"	367.260476	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+H"	1.007276
"1362604"	123.091676	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H"	1.007276
"137317"	123.091676	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+2H"	2.014552
"574325"	184.133876	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+2H"	2.014552
"1047496"	62.049476	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2H"	2.014552
"213211"	82.396876	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+3H"	3.021828
"654957"	123.091676	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+3H"	3.021828
"1174177"	41.702076	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+3H"	3.021828
"432343"	262.202623	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+NH4"	18.033823
"791152"	384.287023	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+NH4"	18.033823
"1688576"	140.118223	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+NH4"	18.033823
"339045"	131.6049495	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+H+NH4"	19.041099
"734747"	192.6471495	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+H+NH4"	19.041099
"1485287"	70.5627495	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H+NH4"	19.041099
"402874"	267.158018	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+Na"	22.989218
"766787"	389.242418	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+Na"	22.989218
"1615247"	145.073618	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Na"	22.989218
"323097"	134.082647	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+H+Na"	23.996494
"719531"	195.124847	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+H+Na"	23.996494
"1472985"	73.040447	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H+Na"	23.996494
"1064774"	49.02939	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2H+Na"	25.00377
"1271680"	155.117886	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+CH3OH+H"	33.033486
"385755"	283.131958	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+K"	38.963158
"747113"	405.216358	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+K"	38.963158
"1549544"	161.047558	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+K"	38.963158
"313283"	142.069617	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+H+K"	39.970434
"703880"	203.111817	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+H+K"	39.970434
"1458063"	81.027417	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H+K"	39.970434
"249949"	286.202626	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+ACN+H"	42.033826
"1222290"	164.118226	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+ACN+H"	42.033826
"1209214"	82.562751	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+ACN+2H"	43.041102
"201605"	289.13996	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+2Na-H"	44.97116
"641529"	411.22436	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+2Na-H"	44.97116
"1144302"	167.05556	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2Na-H"	44.97116
"186497"	145.073618	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+2Na"	45.978436
"622051"	206.115818	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+2Na"	45.978436
"1118996"	84.031418	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2Na"	45.978436
"1399156"	56.356704	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H+2Na"	46.985712
"1433544"	169.097146	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H+HCOOH"	47.012746
"224333"	150.10664	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+3H2O+2H"	56.04448
"1516770"	183.14919	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+IsoProp+H"	61.06479
"418643"	153.060588	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+Na+K"	61.952376
"774169"	214.102788	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+Na+K"	61.952376
"1679258"	92.018388	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Na+K"	61.952376
"262855"	308.184568	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+ACN+Na"	64.015768
"1239213"	186.100168	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+ACN+Na"	64.015768
"1724092"	186.123693	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+NH4+HCOOH"	64.039293
"1190175"	63.684018	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+3Na"	68.967654
"1664080"	191.079088	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Na+HCOOH"	68.994688
"170573"	321.08784	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+2K-H"	76.91904
"607947"	443.17224	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+2K-H"	76.91904
"1095737"	199.00344	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2K-H"	76.91904
"151460"	161.047558	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"2M+2K"	77.926316
"591022"	222.089758	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"3M+2K"	77.926316
"1073348"	100.005358	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2K"	77.926316
"1110930"	201.017992	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2K+H"	78.933592
"1347316"	201.105607	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+DMSO+H"	79.021207
"1018032"	205.144776	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2ACN+H"	83.060376
"1533971"	206.138408	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+IsoProp+Na+H"	84.054008
"1003698"	103.076026	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+2ACN+2H"	84.067652
"1597108"	207.053028	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+K+HCOOH"	84.968628
"1426050"	237.084538	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+H+CF3COOH"	115.000138
"1147345"	123.589301	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+3ACN+2H"	125.094202
"1703705"	254.111085	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+NH4+CF3COOH"	132.026685
"1647740"	259.06648	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+Na+CF3COOH"	136.98208
"1582660"	275.04042	"C14401"	"24-Diaminotoluene"	"C7H10N2"	"122.0844"	"M+K+CF3COOH"	152.95602
"803183"	108.0687	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M"	0
"976717"	89.05031	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-H2O-H"	-19.01839
"67145"	71.038524	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M-3H"	-3.021828
"503542"	107.061424	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M-3H"	-3.021828
"883412"	35.015624	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-3H"	-3.021828
"14033"	107.061424	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M-2H"	-2.014552
"454442"	161.095774	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M-2H"	-2.014552
"831272"	53.027074	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-2H"	-2.014552
"94020"	215.130124	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M-H"	-1.007276
"530943"	323.198824	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M-H"	-1.007276
"908744"	107.061424	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-H"	-1.007276
"62149"	232.156671	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M-2H+NH4"	16.019271
"502070"	340.225371	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M-2H+NH4"	16.019271
"879604"	124.087971	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-2H+NH4"	16.019271
"46889"	237.112066	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M-2H+Na"	20.974666
"486577"	345.180766	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M-2H+Na"	20.974666
"863680"	129.043366	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-2H+Na"	20.974666
"1633583"	129.043366	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Na-2H"	20.974666
"109744"	125.049763	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M-H+Cl"	33.962126
"548083"	179.084113	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M-H+Cl"	33.962126
"939410"	71.015413	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-H+Cl"	33.962126
"275778"	251.106802	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+Cl"	34.969402
"663827"	359.175502	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+Cl"	34.969402
"1287297"	143.038102	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Cl"	34.969402
"29728"	253.086006	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M-2H+K"	36.948606
"468194"	361.154706	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M-2H+K"	36.948606
"843812"	145.017306	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-2H+K"	36.948606
"1564017"	145.017306	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+K-2H"	36.948606
"945334"	153.066894	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-H+HCOOH"	44.998194
"371211"	261.135601	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+HCOOH-H"	44.998201
"360204"	275.151251	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+Hac-H"	59.013851
"1506973"	167.082551	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Hac-H"	59.013851
"971109"	175.048851	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-H+NaCOOH"	66.980151
"124635"	143.038102	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+2Cl"	69.938804
"563951"	197.072452	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+2Cl"	69.938804
"1030929"	89.003752	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2Cl"	69.938804
"1255614"	186.987585	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Br"	78.918885
"1316239"	189.043572	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Cl+HCOOH"	80.974872
"1324264"	211.025529	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Cl+NaCOOH"	102.956829
"922248"	221.054286	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M-H+CF3COOH"	112.985586
"1297134"	257.030964	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Cl+CF3COOH"	148.962264
"1380765"	73.056024	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H-2H2O"	-35.012676
"1397171"	91.066	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H-H2O"	-17.0027
"298077"	217.144676	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+H"	1.007276
"690739"	325.213376	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+H"	1.007276
"1364536"	109.075976	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H"	1.007276
"136698"	109.075976	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+2H"	2.014552
"575528"	163.110326	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+2H"	2.014552
"1043597"	55.041626	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2H"	2.014552
"212591"	73.053076	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+3H"	3.021828
"654338"	109.075976	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+3H"	3.021828
"1171370"	37.030176	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+3H"	3.021828
"431360"	234.171223	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+NH4"	18.033823
"791262"	342.239923	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+NH4"	18.033823
"1686500"	126.102523	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+NH4"	18.033823
"336969"	117.5892495	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+H+NH4"	19.041099
"733764"	171.6235995	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+H+NH4"	19.041099
"1485397"	63.5548995	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H+NH4"	19.041099
"402984"	239.126618	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+Na"	22.989218
"767989"	347.195318	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+Na"	22.989218
"1614264"	131.057918	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Na"	22.989218
"326488"	120.066947	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+H+Na"	23.996494
"718545"	174.101297	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+H+Na"	23.996494
"1473459"	66.032597	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H+Na"	23.996494
"1067437"	44.35749	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2H+Na"	25.00377
"1268385"	141.102186	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+CH3OH+H"	33.033486
"385135"	255.100558	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+K"	38.963158
"750139"	363.169258	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+K"	38.963158
"1552564"	147.031858	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+K"	38.963158
"311926"	128.053917	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+H+K"	39.970434
"705079"	182.088267	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+H+K"	39.970434
"1460360"	74.019567	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H+K"	39.970434
"250793"	258.171226	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+ACN+H"	42.033826
"1225076"	150.102526	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+ACN+H"	42.033826
"1208718"	75.554901	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+ACN+2H"	43.041102
"202079"	261.10856	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+2Na-H"	44.97116
"642244"	369.17726	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+2Na-H"	44.97116
"1143319"	153.03986	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2Na-H"	44.97116
"186243"	131.057918	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+2Na"	45.978436
"625075"	185.092268	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+2Na"	45.978436
"1119106"	77.023568	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2Na"	45.978436
"1399471"	51.684804	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H+2Na"	46.985712
"1434747"	155.081446	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H+HCOOH"	47.012746
"226630"	136.09094	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+3H2O+2H"	56.04448
"1520160"	169.13349	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+IsoProp+H"	61.06479
"421669"	139.044888	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+Na+K"	61.952376
"775372"	193.079238	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+Na+K"	61.952376
"1678999"	85.010538	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Na+K"	61.952376
"260412"	280.153168	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+ACN+Na"	64.015768
"1240051"	172.084468	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+ACN+Na"	64.015768
"1727117"	172.107993	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+NH4+HCOOH"	64.039293
"1193566"	59.012118	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+3Na"	68.967654
"1656168"	177.063388	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Na+HCOOH"	68.994688
"167403"	293.05644	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+2K-H"	76.91904
"608057"	401.12514	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+2K-H"	76.91904
"1091474"	184.98774	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2K-H"	76.91904
"152664"	147.031858	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"2M+2K"	77.926316
"591132"	201.066208	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"3M+2K"	77.926316
"1077832"	92.997508	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2K"	77.926316
"1111040"	187.002292	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2K+H"	78.933592
"1347426"	187.089907	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+DMSO+H"	79.021207
"1014861"	191.129076	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2ACN+H"	83.060376
"1538454"	192.122708	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+IsoProp+Na+H"	84.054008
"1002715"	96.068176	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+2ACN+2H"	84.067652
"1590656"	193.037328	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+K+HCOOH"	84.968628
"1426160"	223.068838	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+H+CF3COOH"	115.000138
"1147700"	116.581451	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+3ACN+2H"	125.094202
"1703815"	240.095385	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+NH4+CF3COOH"	132.026685
"1647850"	245.05078	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+Na+CF3COOH"	136.98208
"1582770"	261.02472	"C14402"	"12-Diaminobenzene;o-Phenylenediamine;2-Phenylene diamine"	"C6H8N2"	"108.0687"	"M+K+CF3COOH"	152.95602
"804750"	107.0735	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M"	0
"980107"	88.05511	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-H2O-H"	-19.01839
"67255"	70.3750573333333	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M-3H"	-3.021828
"504745"	106.066224	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M-3H"	-3.021828
"884616"	34.6838906666667	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-3H"	-3.021828
"11956"	106.066224	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M-2H"	-2.014552
"452607"	159.602974	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M-2H"	-2.014552
"830410"	52.529474	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-2H"	-2.014552
"91495"	213.139724	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M-H"	-1.007276
"529960"	320.213224	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M-H"	-1.007276
"910435"	106.066224	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-H"	-1.007276
"62136"	230.166271	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M-2H+NH4"	16.019271
"502342"	337.239771	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M-2H+NH4"	16.019271
"879902"	123.092771	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-2H+NH4"	16.019271
"46748"	235.121666	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M-2H+Na"	20.974666
"487093"	342.195166	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M-2H+Na"	20.974666
"863795"	128.048166	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-2H+Na"	20.974666
"1634098"	128.048166	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Na-2H"	20.974666
"109201"	124.054563	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M-H+Cl"	33.962126
"543818"	177.591313	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M-H+Cl"	33.962126
"939518"	70.517813	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-H+Cl"	33.962126
"279169"	249.116402	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+Cl"	34.969402
"667217"	356.189902	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+Cl"	34.969402
"1286187"	142.042902	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Cl"	34.969402
"28748"	251.095606	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M-2H+K"	36.948606
"470942"	358.169106	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M-2H+K"	36.948606
"838452"	144.022106	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-2H+K"	36.948606
"1565221"	144.022106	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+K-2H"	36.948606
"945447"	152.071694	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-H+HCOOH"	44.998194
"373507"	259.145201	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+HCOOH-H"	44.998201
"359462"	273.160851	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+Hac-H"	59.013851
"1507447"	166.087351	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Hac-H"	59.013851
"972435"	174.053651	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-H+NaCOOH"	66.980151
"124864"	142.042902	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+2Cl"	69.938804
"564304"	195.579652	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+2Cl"	69.938804
"1031039"	88.506152	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2Cl"	69.938804
"1256088"	185.992385	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Br"	78.918885
"1318172"	188.048372	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Cl+HCOOH"	80.974872
"1324737"	210.030329	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Cl+NaCOOH"	102.956829
"922358"	220.059086	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M-H+CF3COOH"	112.985586
"1299067"	256.035764	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Cl+CF3COOH"	148.962264
"1378688"	72.060824	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H-2H2O"	-35.012676
"1396917"	90.0708	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H-H2O"	-17.0027
"297334"	215.154276	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+H"	1.007276
"689389"	322.227776	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+H"	1.007276
"1362823"	108.080776	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H"	1.007276
"137536"	108.080776	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+2H"	2.014552
"575638"	161.617526	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+2H"	2.014552
"1041520"	54.544026	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2H"	2.014552
"209421"	72.3896093333333	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+3H"	3.021828
"654448"	108.080776	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+3H"	3.021828
"1169293"	36.6984426666667	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+3H"	3.021828
"430377"	232.180823	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+NH4"	18.033823
"790277"	339.254323	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+NH4"	18.033823
"1688796"	125.107323	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+NH4"	18.033823
"333796"	116.5940495	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+H+NH4"	19.041099
"733874"	170.1307995	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+H+NH4"	19.041099
"1483320"	63.0572995	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H+NH4"	19.041099
"403094"	237.136218	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+Na"	22.989218
"761902"	344.209718	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+Na"	22.989218
"1616197"	130.062718	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Na"	22.989218
"325504"	119.071747	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+H+Na"	23.996494
"720844"	172.608497	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+H+Na"	23.996494
"1476613"	65.534997	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H+Na"	23.996494
"1064629"	44.0257566666667	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2H+Na"	25.00377
"1268494"	140.106986	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+CH3OH+H"	33.033486
"388162"	253.110158	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+K"	38.963158
"752072"	360.183658	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+K"	38.963158
"1552674"	146.036658	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+K"	38.963158
"311672"	127.058717	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+H+K"	39.970434
"705432"	180.595467	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+H+K"	39.970434
"1460834"	73.521967	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H+K"	39.970434
"250174"	256.180826	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+ACN+H"	42.033826
"1225389"	149.107326	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+ACN+H"	42.033826
"1209439"	75.057301	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+ACN+2H"	43.041102
"202551"	259.11816	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+2Na-H"	44.97116
"642475"	366.19166	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+2Na-H"	44.97116
"1143066"	152.04466	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2Na-H"	44.97116
"187446"	130.062718	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+2Na"	45.978436
"623364"	183.599468	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+2Na"	45.978436
"1118123"	76.525968	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2Na"	45.978436
"1407112"	51.3530706666667	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H+2Na"	46.985712
"1435950"	154.086246	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H+HCOOH"	47.012746
"227832"	135.09574	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+3H2O+2H"	56.04448
"1520269"	168.13829	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+IsoProp+H"	61.06479
"422143"	138.049688	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+Na+K"	61.952376
"776575"	191.586438	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+Na+K"	61.952376
"1679108"	84.512938	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Na+K"	61.952376
"261615"	278.162768	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+ACN+Na"	64.015768
"1239797"	171.089268	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+ACN+Na"	64.015768
"1725041"	171.112793	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+NH4+HCOOH"	64.039293
"1190395"	58.6803846666667	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+3Na"	68.967654
"1659558"	176.068188	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Na+HCOOH"	68.994688
"167513"	291.06604	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+2K-H"	76.91904
"608167"	398.13954	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+2K-H"	76.91904
"1094864"	183.99254	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2K-H"	76.91904
"155691"	146.036658	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"2M+2K"	77.926316
"593429"	199.573408	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"3M+2K"	77.926316
"1081222"	92.499908	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2K"	77.926316
"1114188"	186.007092	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2K+H"	78.933592
"1347536"	186.094707	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+DMSO+H"	79.021207
"1014971"	190.133876	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2ACN+H"	83.060376
"1533097"	191.127508	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+IsoProp+Na+H"	84.054008
"997357"	95.570576	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+2ACN+2H"	84.067652
"1590766"	192.042128	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+K+HCOOH"	84.968628
"1422990"	222.073638	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+H+CF3COOH"	115.000138
"1148174"	116.083851	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+3ACN+2H"	125.094202
"1703925"	239.100185	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+NH4+CF3COOH"	132.026685
"1646867"	244.05558	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+Na+CF3COOH"	136.98208
"1582880"	260.02952	"C14403"	"ortho-Toluidine;o-Toluidine;2-Aminotoluene"	"C7H9N"	"107.0735"	"M+K+CF3COOH"	152.95602
"803403"	248.0007	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M"	0
"980217"	228.98231	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-H2O-H"	-19.01839
"66271"	164.326524	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M-3H"	-3.021828
"502894"	246.993424	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M-3H"	-3.021828
"884726"	81.659624	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-3H"	-3.021828
"13160"	246.993424	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M-2H"	-2.014552
"454539"	370.993774	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M-2H"	-2.014552
"830517"	122.993074	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-2H"	-2.014552
"92697"	494.994124	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M-H"	-1.007276
"527883"	742.994824	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M-H"	-1.007276
"911114"	246.993424	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-H"	-1.007276
"62326"	512.020671	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M-2H+NH4"	16.019271
"502289"	760.021371	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M-2H+NH4"	16.019271
"879727"	264.019971	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-2H+NH4"	16.019271
"46412"	516.976066	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M-2H+Na"	20.974666
"485608"	764.976766	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M-2H+Na"	20.974666
"863701"	268.975366	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-2H+Na"	20.974666
"1631852"	268.975366	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Na-2H"	20.974666
"105462"	264.981763	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M-H+Cl"	33.962126
"542835"	388.982113	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M-H+Cl"	33.962126
"937442"	140.981413	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-H+Cl"	33.962126
"277092"	530.970802	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+Cl"	34.969402
"661131"	778.971502	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+Cl"	34.969402
"1286297"	282.970102	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Cl"	34.969402
"29832"	532.950006	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M-2H+K"	36.948606
"467321"	780.950706	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M-2H+K"	36.948606
"838562"	284.949306	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-2H+K"	36.948606
"1565331"	284.949306	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+K-2H"	36.948606
"944585"	292.998894	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-H+HCOOH"	44.998194
"372524"	540.999601	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+HCOOH-H"	44.998201
"358234"	555.015251	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+Hac-H"	59.013851
"1506342"	307.014551	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Hac-H"	59.013851
"971695"	314.980851	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-H+NaCOOH"	66.980151
"122060"	282.970102	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+2Cl"	69.938804
"564536"	406.970452	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+2Cl"	69.938804
"1031149"	158.969752	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2Cl"	69.938804
"1252916"	326.919585	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Br"	78.918885
"1318646"	328.975572	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Cl+HCOOH"	80.974872
"1324847"	350.957529	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Cl+NaCOOH"	102.956829
"923197"	360.986286	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M-H+CF3COOH"	112.985586
"1299541"	396.962964	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Cl+CF3COOH"	148.962264
"1380620"	212.988024	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H-2H2O"	-35.012676
"1397392"	230.998	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H-H2O"	-17.0027
"298422"	497.008676	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+H"	1.007276
"690960"	745.009376	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+H"	1.007276
"1363662"	249.007976	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H"	1.007276
"138740"	249.007976	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+2H"	2.014552
"575748"	373.008326	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+2H"	2.014552
"1042724"	125.007626	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2H"	2.014552
"209531"	166.341076	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+3H"	3.021828
"655287"	249.007976	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+3H"	3.021828
"1170496"	83.674176	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+3H"	3.021828
"431580"	514.035223	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+NH4"	18.033823
"791480"	762.035923	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+NH4"	18.033823
"1688906"	266.034523	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+NH4"	18.033823
"336092"	257.5212495	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+H+NH4"	19.041099
"734713"	381.5215995	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+H+NH4"	19.041099
"1486709"	133.5208995	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H+NH4"	19.041099
"403204"	518.990618	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+Na"	22.989218
"764198"	766.991318	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+Na"	22.989218
"1615214"	270.989918	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Na"	22.989218
"326345"	259.998947	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+H+Na"	23.996494
"719861"	383.999297	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+H+Na"	23.996494
"1476722"	135.998597	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H+Na"	23.996494
"1064739"	91.00149	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2H+Na"	25.00377
"1267875"	281.034186	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+CH3OH+H"	33.033486
"389001"	534.964558	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+K"	38.963158
"752913"	782.965258	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+K"	38.963158
"1553877"	286.963858	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+K"	38.963158
"311782"	267.985917	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+H+K"	39.970434
"706353"	391.986267	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+H+K"	39.970434
"1459486"	143.985567	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H+K"	39.970434
"249913"	538.035226	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+ACN+H"	42.033826
"1224078"	290.034526	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+ACN+H"	42.033826
"1209626"	145.520901	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+ACN+2H"	43.041102
"203835"	540.97256	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+2Na-H"	44.97116
"643315"	788.97326	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+2Na-H"	44.97116
"1143903"	292.97186	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2Na-H"	44.97116
"185004"	270.989918	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+2Na"	45.978436
"624567"	394.990268	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+2Na"	45.978436
"1123700"	146.989568	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2Na"	45.978436
"1407223"	98.328804	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H+2Na"	46.985712
"1439340"	295.013446	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H+HCOOH"	47.012746
"230129"	276.02294	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+3H2O+2H"	56.04448
"1521472"	309.06549	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+IsoProp+H"	61.06479
"423712"	278.976888	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+Na+K"	61.952376
"776685"	402.977238	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+Na+K"	61.952376
"1680311"	154.976538	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Na+K"	61.952376
"264640"	560.017168	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+ACN+Na"	64.015768
"1239907"	312.016468	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+ACN+Na"	64.015768
"1721141"	312.039993	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+NH4+HCOOH"	64.039293
"1190869"	105.656118	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+3Na"	68.967654
"1662949"	316.995388	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Na+HCOOH"	68.994688
"167622"	572.92044	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+2K-H"	76.91904
"604996"	820.92114	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+2K-H"	76.91904
"1098985"	324.91974	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2K-H"	76.91904
"152884"	286.963858	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"2M+2K"	77.926316
"592446"	410.964208	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"3M+2K"	77.926316
"1080239"	162.963508	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2K"	77.926316
"1109072"	326.934292	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2K+H"	78.933592
"1347646"	327.021907	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+DMSO+H"	79.021207
"1015081"	331.061076	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2ACN+H"	83.060376
"1534300"	332.054708	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+IsoProp+Na+H"	84.054008
"997467"	166.034176	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+2ACN+2H"	84.067652
"1593063"	332.969328	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+K+HCOOH"	84.968628
"1423100"	363.000838	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+H+CF3COOH"	115.000138
"1150106"	186.547451	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+3ACN+2H"	125.094202
"1704035"	380.027385	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+NH4+CF3COOH"	132.026685
"1646248"	384.98278	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+Na+CF3COOH"	136.98208
"1582990"	400.95672	"C14404"	"24-DB;4-(24-Dichlorophenoxy)butyric acid"	"C10H10Cl2O3"	"248.0007"	"M+K+CF3COOH"	152.95602
"803513"	219.1048	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M"	0
"980327"	200.08641	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-H2O-H"	-19.01839
"65288"	145.062590666667	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M-3H"	-3.021828
"504117"	218.097524	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M-3H"	-3.021828
"885929"	72.0276573333333	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-3H"	-3.021828
"11081"	218.097524	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M-2H"	-2.014552
"452827"	327.649924	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M-2H"	-2.014552
"829534"	108.545124	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-2H"	-2.014552
"90619"	437.202324	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M-H"	-1.007276
"527993"	656.307124	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M-H"	-1.007276
"909804"	218.097524	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-H"	-1.007276
"60774"	454.228871	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M-2H+NH4"	16.019271
"501792"	673.333671	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M-2H+NH4"	16.019271
"878501"	235.124071	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-2H+NH4"	16.019271
"43240"	459.184266	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M-2H+Na"	20.974666
"483894"	678.289066	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M-2H+Na"	20.974666
"861699"	240.079466	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-2H+Na"	20.974666
"1631234"	240.079466	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Na-2H"	20.974666
"108490"	236.085863	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M-H+Cl"	33.962126
"542946"	345.638263	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M-H+Cl"	33.962126
"935368"	126.533463	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-H+Cl"	33.962126
"276111"	473.179002	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+Cl"	34.969402
"661970"	692.283802	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+Cl"	34.969402
"1286407"	254.074202	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Cl"	34.969402
"28966"	475.158206	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M-2H+K"	36.948606
"467431"	694.263006	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M-2H+K"	36.948606
"838672"	256.053406	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-2H+K"	36.948606
"1559973"	256.053406	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+K-2H"	36.948606
"943237"	264.102994	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-H+HCOOH"	44.998194
"375918"	483.207801	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+HCOOH-H"	44.998201
"352146"	497.223451	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+Hac-H"	59.013851
"1504995"	278.118651	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Hac-H"	59.013851
"969983"	286.084951	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-H+NaCOOH"	66.980151
"118523"	254.074202	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+2Cl"	69.938804
"561363"	363.626602	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+2Cl"	69.938804
"1031259"	144.521802	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2Cl"	69.938804
"1248650"	298.023685	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Br"	78.918885
"1306723"	300.079672	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Cl+HCOOH"	80.974872
"1323864"	322.061629	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Cl+NaCOOH"	102.956829
"917838"	332.090386	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M-H+CF3COOH"	112.985586
"1298558"	368.067064	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Cl+CF3COOH"	148.962264
"1378907"	184.092124	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H-2H2O"	-35.012676
"1397502"	202.1021	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H-H2O"	-17.0027
"298511"	439.216876	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+H"	1.007276
"687422"	658.321676	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+H"	1.007276
"1361948"	220.112076	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H"	1.007276
"138484"	220.112076	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+2H"	2.014552
"576587"	329.664476	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+2H"	2.014552
"1042834"	110.559676	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2H"	2.014552
"209641"	147.077142666667	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+3H"	3.021828
"652481"	220.112076	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+3H"	3.021828
"1172793"	74.0422093333333	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+3H"	3.021828
"430597"	456.243423	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+NH4"	18.033823
"788310"	675.348223	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+NH4"	18.033823
"1684644"	237.138623	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+NH4"	18.033823
"334016"	228.6253495	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+H+NH4"	19.041099
"727532"	338.1777495	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+H+NH4"	19.041099
"1486819"	119.0729495	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H+NH4"	19.041099
"403314"	461.198818	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+Na"	22.989218
"763216"	680.303618	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+Na"	22.989218
"1615688"	242.094018	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Na"	22.989218
"324631"	231.103047	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+H+Na"	23.996494
"721308"	340.655447	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+H+Na"	23.996494
"1474520"	121.550647	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H+Na"	23.996494
"1067765"	81.3695233333333	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2H+Na"	25.00377
"1270537"	252.138286	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+CH3OH+H"	33.033486
"390935"	477.172758	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+K"	38.963158
"753267"	696.277558	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+K"	38.963158
"1543050"	258.067958	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+K"	38.963158
"312985"	239.090017	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+H+K"	39.970434
"705411"	348.642417	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+H+K"	39.970434
"1457408"	129.537617	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H+K"	39.970434
"248200"	480.243426	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+ACN+H"	42.033826
"1222001"	261.138626	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+ACN+H"	42.033826
"1207342"	131.072951	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+ACN+2H"	43.041102
"200577"	483.18076	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+2Na-H"	44.97116
"642574"	702.28556	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+2Na-H"	44.97116
"1143649"	264.07596	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2Na-H"	44.97116
"184386"	242.094018	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+2Na"	45.978436
"622491"	351.646418	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+2Na"	45.978436
"1124904"	132.541618	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2Na"	45.978436
"1407333"	88.6968373333333	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H+2Na"	46.985712
"1439450"	266.117546	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H+HCOOH"	47.012746
"229145"	247.12704	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+3H2O+2H"	56.04448
"1519395"	280.16959	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+IsoProp+H"	61.06479
"422362"	250.080988	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+Na+K"	61.952376
"776795"	359.633388	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+Na+K"	61.952376
"1680420"	140.528588	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Na+K"	61.952376
"261470"	502.225368	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+ACN+Na"	64.015768
"1236734"	283.120568	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+ACN+Na"	64.015768
"1721250"	283.144093	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+NH4+HCOOH"	64.039293
"1187698"	96.0241513333333	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+3Na"	68.967654
"1658684"	288.099488	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Na+HCOOH"	68.994688
"161171"	515.12864	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+2K-H"	76.91904
"601825"	734.23344	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+2K-H"	76.91904
"1089614"	296.02384	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2K-H"	76.91904
"154086"	258.067958	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"2M+2K"	77.926316
"588181"	367.620358	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"3M+2K"	77.926316
"1079255"	148.515558	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2K"	77.926316
"1105902"	298.038392	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2K+H"	78.933592
"1344475"	298.126007	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+DMSO+H"	79.021207
"1011910"	302.165176	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2ACN+H"	83.060376
"1531129"	303.158808	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+IsoProp+Na+H"	84.054008
"997577"	151.586226	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+2ACN+2H"	84.067652
"1589163"	304.073428	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+K+HCOOH"	84.968628
"1425397"	334.104938	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+H+CF3COOH"	115.000138
"1149487"	172.099501	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+3ACN+2H"	125.094202
"1704145"	351.131485	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+NH4+CF3COOH"	132.026685
"1645265"	356.08688	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+Na+CF3COOH"	136.98208
"1583100"	372.06082	"C14405"	"N-Phenyl-1-naphthylamine"	"C16H13N"	"219.1048"	"M+K+CF3COOH"	152.95602
"803623"	247.0633	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M"	0
"980437"	228.04491	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-H2O-H"	-19.01839
"65398"	163.701590666667	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M-3H"	-3.021828
"504958"	246.056024	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M-3H"	-3.021828
"884947"	81.3471573333333	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-3H"	-3.021828
"12284"	246.056024	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M-2H"	-2.014552
"451845"	369.587674	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M-2H"	-2.014552
"830737"	122.524374	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-2H"	-2.014552
"91822"	493.119324	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M-H"	-1.007276
"532114"	740.182624	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M-H"	-1.007276
"910404"	246.056024	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-H"	-1.007276
"61620"	510.145871	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M-2H+NH4"	16.019271
"502788"	757.209171	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M-2H+NH4"	16.019271
"879778"	263.082571	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-2H+NH4"	16.019271
"46272"	515.101266	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M-2H+Na"	20.974666
"486197"	762.164566	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M-2H+Na"	20.974666
"863151"	268.037966	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-2H+Na"	20.974666
"1633046"	268.037966	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Na-2H"	20.974666
"102405"	264.044363	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M-H+Cl"	33.962126
"547432"	387.576013	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M-H+Cl"	33.962126
"937665"	140.512713	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-H+Cl"	33.962126
"277314"	529.096002	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+Cl"	34.969402
"661712"	776.159302	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+Cl"	34.969402
"1286396"	282.032702	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Cl"	34.969402
"29200"	531.075206	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M-2H+K"	36.948606
"468634"	778.138506	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M-2H+K"	36.948606
"839875"	284.011906	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-2H+K"	36.948606
"1560083"	284.011906	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+K-2H"	36.948606
"942953"	292.061494	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-H+HCOOH"	44.998194
"375300"	539.124801	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+HCOOH-H"	44.998201
"353350"	553.140451	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+Hac-H"	59.013851
"1508250"	306.077151	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Hac-H"	59.013851
"970820"	314.043451	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-H+NaCOOH"	66.980151
"118633"	282.032702	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+2Cl"	69.938804
"561473"	405.564352	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+2Cl"	69.938804
"1035380"	158.501052	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2Cl"	69.938804
"1254594"	325.982185	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Br"	78.918885
"1319228"	328.038172	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Cl+HCOOH"	80.974872
"1325066"	350.020129	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Cl+NaCOOH"	102.956829
"920500"	360.048886	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M-H+CF3COOH"	112.985586
"1297209"	396.025564	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Cl+CF3COOH"	148.962264
"1377923"	212.050624	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H-2H2O"	-35.012676
"1393964"	230.0606	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H-H2O"	-17.0027
"298467"	495.133876	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+H"	1.007276
"687168"	742.197176	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+H"	1.007276
"1364245"	248.070576	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H"	1.007276
"139687"	248.070576	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+2H"	2.014552
"575967"	371.602226	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+2H"	2.014552
"1042944"	124.538926	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2H"	2.014552
"219594"	165.716142666667	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+3H"	3.021828
"655871"	248.070576	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+3H"	3.021828
"1173997"	83.3617093333333	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+3H"	3.021828
"431802"	512.160423	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+NH4"	18.033823
"793888"	759.223723	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+NH4"	18.033823
"1688033"	265.097123	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+NH4"	18.033823
"337406"	256.5838495	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+H+NH4"	19.041099
"726549"	380.1154995	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+H+NH4"	19.041099
"1486930"	133.0521995	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H+NH4"	19.041099
"405248"	517.115818	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+Na"	22.989218
"763326"	764.179118	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+Na"	22.989218
"1617259"	270.052518	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Na"	22.989218
"324741"	259.061547	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+H+Na"	23.996494
"721418"	382.593197	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+H+Na"	23.996494
"1474630"	135.529897	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H+Na"	23.996494
"1067633"	90.6890233333333	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2H+Na"	25.00377
"1272235"	280.096786	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+CH3OH+H"	33.033486
"390316"	533.089758	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+K"	38.963158
"751675"	780.153058	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+K"	38.963158
"1545347"	286.026458	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+K"	38.963158
"311638"	267.048517	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+H+K"	39.970434
"706010"	390.580167	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+H+K"	39.970434
"1458978"	143.516867	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H+K"	39.970434
"249403"	536.160426	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+ACN+H"	42.033826
"1223570"	289.097126	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+ACN+H"	42.033826
"1207452"	145.052201	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+ACN+2H"	43.041102
"201416"	539.09776	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+2Na-H"	44.97116
"640985"	786.16106	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+2Na-H"	44.97116
"1143757"	292.03446	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2Na-H"	44.97116
"182673"	270.052518	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+2Na"	45.978436
"622235"	393.584168	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+2Na"	45.978436
"1123920"	146.520868	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2Na"	45.978436
"1407443"	98.0163373333333	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H+2Na"	46.985712
"1438467"	294.076046	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H+HCOOH"	47.012746
"229255"	275.08554	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+3H2O+2H"	56.04448
"1517318"	308.12809	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+IsoProp+H"	61.06479
"423080"	278.039488	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+Na+K"	61.952376
"776905"	401.571138	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+Na+K"	61.952376
"1679802"	154.507838	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Na+K"	61.952376
"260486"	558.142368	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+ACN+Na"	64.015768
"1236844"	311.079068	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+ACN+Na"	64.015768
"1724640"	311.102593	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+NH4+HCOOH"	64.039293
"1181611"	105.343651333333	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+3Na"	68.967654
"1654054"	316.057988	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Na+HCOOH"	68.994688
"164561"	571.04564	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+2K-H"	76.91904
"601935"	818.10894	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+2K-H"	76.91904
"1090088"	323.98234	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2K-H"	76.91904
"150915"	286.026458	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"2M+2K"	77.926316
"588291"	409.558108	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"3M+2K"	77.926316
"1079365"	162.494808	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2K"	77.926316
"1108199"	325.996892	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2K+H"	78.933592
"1346771"	326.084507	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+DMSO+H"	79.021207
"1012020"	330.123676	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2ACN+H"	83.060376
"1533426"	331.117308	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+IsoProp+Na+H"	84.054008
"1000967"	165.565476	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+2ACN+2H"	84.067652
"1588909"	332.031928	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+K+HCOOH"	84.968628
"1429276"	362.063438	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+H+CF3COOH"	115.000138
"1150326"	186.078751	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+3ACN+2H"	125.094202
"1704255"	379.089985	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+NH4+CF3COOH"	132.026685
"1647197"	384.04538	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+Na+CF3COOH"	136.98208
"1583210"	400.01932	"C14406"	"3-Nitrofluoranthene"	"C16H9NO2"	"247.0633"	"M+K+CF3COOH"	152.95602
"803733"	156.9931	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M"	0
"980547"	137.97471	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H2O-H"	-19.01839
"64415"	103.654790666667	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-3H"	-3.021828
"505068"	155.985824	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-3H"	-3.021828
"882870"	51.3237573333333	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-3H"	-3.021828
"12030"	155.985824	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H"	-2.014552
"453293"	234.482374	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H"	-2.014552
"830847"	77.489274	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H"	-2.014552
"91812"	312.978924	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-H"	-1.007276
"532345"	469.972024	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-H"	-1.007276
"910153"	155.985824	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H"	-1.007276
"62215"	330.005471	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+NH4"	16.019271
"501297"	486.998571	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+NH4"	16.019271
"878239"	173.012371	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+NH4"	16.019271
"46468"	334.960866	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+Na"	20.974666
"486438"	491.953966	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+Na"	20.974666
"863260"	177.967766	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+Na"	20.974666
"1633847"	177.967766	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na-2H"	20.974666
"108714"	173.974163	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-H+Cl"	33.962126
"548030"	252.470713	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-H+Cl"	33.962126
"939599"	95.477613	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+Cl"	33.962126
"277425"	348.955602	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Cl"	34.969402
"661463"	505.948702	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Cl"	34.969402
"1286627"	191.962502	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl"	34.969402
"30041"	350.934806	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+K"	36.948606
"466558"	507.927906	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+K"	36.948606
"839985"	193.941706	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+K"	36.948606
"1566755"	193.941706	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K-2H"	36.948606
"945159"	201.991294	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+HCOOH"	44.998194
"376502"	358.984401	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+HCOOH-H"	44.998201
"360391"	373.000051	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Hac-H"	59.013851
"1506796"	216.006951	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Hac-H"	59.013851
"973363"	223.973251	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+NaCOOH"	66.980151
"123846"	191.962502	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Cl"	69.938804
"561583"	270.459052	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Cl"	69.938804
"1033668"	113.465952	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Cl"	69.938804
"1256162"	235.911985	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Br"	78.918885
"1317882"	237.967972	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+HCOOH"	80.974872
"1328823"	259.949929	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+NaCOOH"	102.956829
"920976"	269.978686	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+CF3COOH"	112.985586
"1296590"	305.955364	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+CF3COOH"	148.962264
"1375847"	121.980424	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H-2H2O"	-35.012676
"1392981"	139.9904	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H-H2O"	-17.0027
"297894"	314.993476	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H"	1.007276
"687643"	471.986576	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H"	1.007276
"1365451"	158.000376	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H"	1.007276
"141100"	158.000376	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2H"	2.014552
"578630"	236.496926	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2H"	2.014552
"1047793"	79.503826	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2H"	2.014552
"219585"	105.669342666667	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+3H"	3.021828
"657440"	158.000376	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+3H"	3.021828
"1168641"	53.3383093333333	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3H"	3.021828
"434097"	332.020023	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+NH4"	18.033823
"795092"	489.013123	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+NH4"	18.033823
"1689236"	175.026923	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4"	18.033823
"338606"	166.5136495	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+NH4"	19.041099
"732123"	245.0101995	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+NH4"	19.041099
"1485944"	88.0170995	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+NH4"	19.041099
"401345"	336.975418	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Na"	22.989218
"763434"	493.968518	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Na"	22.989218
"1612264"	179.982318	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na"	22.989218
"324850"	168.991347	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+Na"	23.996494
"721409"	247.487897	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+Na"	23.996494
"1475104"	90.494797	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+Na"	23.996494
"1067707"	60.6656233333333	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2H+Na"	25.00377
"1271123"	190.026586	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+CH3OH+H"	33.033486
"391157"	352.949358	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+K"	38.963158
"753939"	509.942458	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+K"	38.963158
"1550919"	195.956258	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K"	38.963158
"305181"	176.978317	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+K"	39.970434
"705627"	255.474867	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+K"	39.970434
"1460794"	98.481767	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+K"	39.970434
"250609"	356.020026	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+ACN+H"	42.033826
"1224775"	199.026926	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+H"	42.033826
"1209024"	100.017101	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+2H"	43.041102
"203716"	358.95736	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Na-H"	44.97116
"641826"	515.95046	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Na-H"	44.97116
"1143509"	201.96426	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Na-H"	44.97116
"184609"	179.982318	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Na"	45.978436
"624171"	258.478868	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Na"	45.978436
"1121843"	101.485768	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Na"	45.978436
"1405367"	67.9929373333333	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+2Na"	46.985712
"1434202"	204.005846	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+HCOOH"	47.012746
"224988"	185.01534	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+3H2O+2H"	56.04448
"1515239"	218.05789	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+IsoProp+H"	61.06479
"412739"	187.969288	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Na+K"	61.952376
"775918"	266.465838	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Na+K"	61.952376
"1677357"	109.472738	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+K"	61.952376
"260596"	378.001968	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+ACN+Na"	64.015768
"1233677"	221.008868	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+Na"	64.015768
"1724019"	221.032393	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4+HCOOH"	64.039293
"1187914"	75.3202513333333	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3Na"	68.967654
"1659995"	225.987788	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+HCOOH"	68.994688
"166857"	390.90524	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2K-H"	76.91904
"605324"	547.89834	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2K-H"	76.91904
"1092021"	233.91214	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K-H"	76.91904
"151026"	195.956258	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2K"	77.926316
"593868"	274.452808	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2K"	77.926316
"1083934"	117.459708	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K"	77.926316
"1113777"	235.926692	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K+H"	78.933592
"1349068"	236.014307	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+DMSO+H"	79.021207
"1017597"	240.053476	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2ACN+H"	83.060376
"1536816"	241.047108	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+IsoProp+Na+H"	84.054008
"1003264"	120.530376	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2ACN+2H"	84.067652
"1589382"	241.961728	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K+HCOOH"	84.968628
"1429266"	271.993238	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+CF3COOH"	115.000138
"1161011"	141.043651	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3ACN+2H"	125.094202
"1709834"	289.019785	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4+CF3COOH"	132.026685
"1646578"	293.97518	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+CF3COOH"	136.98208
"1583320"	309.94912	"C14407"	"2-Chloronitrobenzene;1-Chloro-2-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K+CF3COOH"	152.95602
"803843"	179.93	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M"	0
"974387"	160.91161	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-H2O-H"	-19.01839
"62879"	118.946057333333	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M-3H"	-3.021828
"502824"	178.922724	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M-3H"	-3.021828
"880306"	58.9693906666667	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-3H"	-3.021828
"13596"	178.922724	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M-2H"	-2.014552
"452061"	268.887724	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M-2H"	-2.014552
"829864"	88.957724	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-2H"	-2.014552
"92043"	358.852724	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M-H"	-1.007276
"533427"	538.782724	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M-H"	-1.007276
"910986"	178.922724	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-H"	-1.007276
"62201"	375.879271	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M-2H+NH4"	16.019271
"502744"	555.809271	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M-2H+NH4"	16.019271
"879843"	195.949271	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-2H+NH4"	16.019271
"46615"	380.834666	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M-2H+Na"	20.974666
"487061"	560.764666	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M-2H+Na"	20.974666
"863004"	200.904666	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-2H+Na"	20.974666
"1633712"	200.904666	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Na-2H"	20.974666
"109065"	196.911063	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M-H+Cl"	33.962126
"547653"	286.876063	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M-H+Cl"	33.962126
"937887"	106.946063	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-H+Cl"	33.962126
"274255"	394.829402	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+Cl"	34.969402
"661573"	574.759402	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+Cl"	34.969402
"1286737"	214.899402	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Cl"	34.969402
"31081"	396.808606	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M-2H+K"	36.948606
"466668"	576.738606	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M-2H+K"	36.948606
"840095"	216.878606	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-2H+K"	36.948606
"1566865"	216.878606	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+K-2H"	36.948606
"945269"	224.928194	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-H+HCOOH"	44.998194
"376612"	404.858201	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+HCOOH-H"	44.998201
"360502"	418.873851	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+Hac-H"	59.013851
"1506783"	238.943851	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Hac-H"	59.013851
"972862"	246.910151	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-H+NaCOOH"	66.980151
"121039"	214.899402	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+2Cl"	69.938804
"561693"	304.864402	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+2Cl"	69.938804
"1034507"	124.934402	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2Cl"	69.938804
"1254089"	258.848885	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Br"	78.918885
"1316898"	260.904872	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Cl+HCOOH"	80.974872
"1327840"	282.886829	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Cl+NaCOOH"	102.956829
"921084"	292.915586	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M-H+CF3COOH"	112.985586
"1294513"	328.892264	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Cl+CF3COOH"	148.962264
"1375954"	144.917324	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H-2H2O"	-35.012676
"1390173"	162.9273	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H-H2O"	-17.0027
"292778"	360.867276	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+H"	1.007276
"687752"	540.797276	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+H"	1.007276
"1363737"	180.937276	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H"	1.007276
"136991"	180.937276	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+2H"	2.014552
"580198"	270.902276	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+2H"	2.014552
"1048996"	90.972276	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2H"	2.014552
"217259"	120.960609333333	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+3H"	3.021828
"654997"	180.937276	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+3H"	3.021828
"1173853"	60.9839426666667	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+3H"	3.021828
"429834"	377.893823	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+NH4"	18.033823
"793016"	557.823823	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+NH4"	18.033823
"1688253"	197.963823	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+NH4"	18.033823
"334344"	189.4505495	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+H+NH4"	19.041099
"730047"	279.4155495	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+H+NH4"	19.041099
"1484961"	99.4855495	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H+NH4"	19.041099
"402548"	382.849218	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+Na"	22.989218
"766824"	562.779218	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+Na"	22.989218
"1614561"	202.919218	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Na"	22.989218
"326053"	191.928247	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+H+Na"	23.996494
"721395"	281.893247	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+H+Na"	23.996494
"1474485"	101.963247	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H+Na"	23.996494
"1068220"	68.3112566666667	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2H+Na"	25.00377
"1270504"	212.963486	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+CH3OH+H"	33.033486
"391269"	398.823158	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+K"	38.963158
"752993"	578.753158	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+K"	38.963158
"1548844"	218.893158	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+K"	38.963158
"304198"	199.915217	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+H+K"	39.970434
"705737"	289.880217	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+H+K"	39.970434
"1460819"	109.950217	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H+K"	39.970434
"250919"	401.893826	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+ACN+H"	42.033826
"1224518"	221.963826	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+ACN+H"	42.033826
"1209011"	111.485551	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+ACN+2H"	43.041102
"201273"	404.83116	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+2Na-H"	44.97116
"642659"	584.76116	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+2Na-H"	44.97116
"1141065"	224.90116	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2Na-H"	44.97116
"183260"	202.919218	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+2Na"	45.978436
"623915"	292.884218	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+2Na"	45.978436
"1124141"	112.954218	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2Na"	45.978436
"1406570"	75.6385706666667	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H+2Na"	46.985712
"1433218"	226.942746	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H+HCOOH"	47.012746
"224006"	207.95224	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+3H2O+2H"	56.04448
"1515350"	240.99479	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+IsoProp+H"	61.06479
"410663"	210.906188	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+Na+K"	61.952376
"774936"	300.871188	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+Na+K"	61.952376
"1675281"	120.941188	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Na+K"	61.952376
"255602"	423.875768	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+ACN+Na"	64.015768
"1237069"	243.945768	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+ACN+Na"	64.015768
"1724129"	243.969293	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+NH4+HCOOH"	64.039293
"1187660"	82.9658846666667	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+3Na"	68.967654
"1660105"	248.924688	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Na+HCOOH"	68.994688
"168060"	436.77904	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+2K-H"	76.91904
"605434"	616.70904	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+2K-H"	76.91904
"1091038"	256.84904	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2K-H"	76.91904
"151136"	218.893158	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"2M+2K"	77.926316
"595071"	308.858158	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"3M+2K"	77.926316
"1083885"	128.928158	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2K"	77.926316
"1114617"	258.863592	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2K+H"	78.933592
"1349178"	258.951207	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+DMSO+H"	79.021207
"1017707"	262.990376	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2ACN+H"	83.060376
"1536926"	263.984008	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+IsoProp+Na+H"	84.054008
"1002281"	131.998826	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+2ACN+2H"	84.067652
"1589128"	264.898628	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+K+HCOOH"	84.968628
"1429741"	294.930138	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+H+CF3COOH"	115.000138
"1161485"	152.512101	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+3ACN+2H"	125.094202
"1709944"	311.956685	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+NH4+CF3COOH"	132.026685
"1646688"	316.91208	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+Na+CF3COOH"	136.98208
"1583430"	332.88602	"C14408"	"123-Trichlorobenzene"	"C6H3Cl3"	"179.93"	"M+K+CF3COOH"	152.95602
"803953"	184.0524	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M"	0
"974322"	165.03401	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-H2O-H"	-19.01839
"63541"	121.694324	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M-3H"	-3.021828
"504194"	183.045124	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M-3H"	-3.021828
"880903"	60.343524	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-3H"	-3.021828
"13343"	183.045124	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M-2H"	-2.014552
"454362"	275.071324	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M-2H"	-2.014552
"831796"	91.018924	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-2H"	-2.014552
"92522"	367.097524	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M-H"	-1.007276
"533658"	551.149924	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M-H"	-1.007276
"910249"	183.045124	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-H"	-1.007276
"62789"	384.124071	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M-2H+NH4"	16.019271
"502478"	568.176471	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M-2H+NH4"	16.019271
"879314"	200.071671	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-2H+NH4"	16.019271
"46893"	389.079466	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M-2H+Na"	20.974666
"486941"	573.131866	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M-2H+Na"	20.974666
"863965"	205.027066	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-2H+Na"	20.974666
"1633497"	205.027066	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Na-2H"	20.974666
"108933"	201.033463	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M-H+Cl"	33.962126
"546669"	293.059663	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M-H+Cl"	33.962126
"936903"	109.007263	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-H+Cl"	33.962126
"274365"	403.074202	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+Cl"	34.969402
"664599"	587.126602	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+Cl"	34.969402
"1284660"	219.021802	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Cl"	34.969402
"30140"	405.053406	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M-2H+K"	36.948606
"468964"	589.105806	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M-2H+K"	36.948606
"840205"	221.001006	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-2H+K"	36.948606
"1568068"	221.001006	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+K-2H"	36.948606
"948295"	229.050594	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-H+HCOOH"	44.998194
"376722"	413.103001	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+HCOOH-H"	44.998201
"360244"	427.118651	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+Hac-H"	59.013851
"1506890"	243.066251	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Hac-H"	59.013851
"973216"	251.032551	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-H+NaCOOH"	66.980151
"120056"	219.021802	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+2Cl"	69.938804
"559615"	311.048002	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+2Cl"	69.938804
"1028415"	126.995602	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2Cl"	69.938804
"1245808"	262.971285	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Br"	78.918885
"1306068"	265.027272	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Cl+HCOOH"	80.974872
"1332317"	287.009229	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Cl+NaCOOH"	102.956829
"921195"	297.037986	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M-H+CF3COOH"	112.985586
"1298632"	333.014664	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Cl+CF3COOH"	148.962264
"1374972"	149.039724	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H-2H2O"	-35.012676
"1392472"	167.0497	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H-H2O"	-17.0027
"293618"	369.112076	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+H"	1.007276
"690415"	553.164476	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+H"	1.007276
"1364577"	185.059676	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H"	1.007276
"138924"	185.059676	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+2H"	2.014552
"576297"	277.085876	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+2H"	2.014552
"1043274"	93.033476	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2H"	2.014552
"216642"	123.708876	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+3H"	3.021828
"654016"	185.059676	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+3H"	3.021828
"1174326"	62.358076	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+3H"	3.021828
"428852"	386.138623	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+NH4"	18.033823
"788753"	570.191023	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+NH4"	18.033823
"1687270"	202.086223	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+NH4"	18.033823
"336643"	193.5729495	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+H+NH4"	19.041099
"734534"	285.5991495	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+H+NH4"	19.041099
"1486168"	101.5467495	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H+NH4"	19.041099
"399377"	391.094018	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+Na"	22.989218
"762563"	575.146418	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+Na"	22.989218
"1615036"	207.041618	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Na"	22.989218
"326167"	196.050647	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+H+Na"	23.996494
"721141"	288.076847	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+H+Na"	23.996494
"1474593"	104.024447	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H+Na"	23.996494
"1065653"	69.68539	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2H+Na"	25.00377
"1271954"	217.085886	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+CH3OH+H"	33.033486
"391988"	407.067958	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+K"	38.963158
"753832"	591.120358	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+K"	38.963158
"1546769"	223.015558	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+K"	38.963158
"303947"	204.037617	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+H+K"	39.970434
"705119"	296.063817	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+H+K"	39.970434
"1459307"	112.011417	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H+K"	39.970434
"250462"	410.138626	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+ACN+H"	42.033826
"1225236"	226.086226	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+ACN+H"	42.033826
"1208879"	113.546751	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+ACN+2H"	43.041102
"201019"	413.07596	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+2Na-H"	44.97116
"642041"	597.12836	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+2Na-H"	44.97116
"1143727"	229.02356	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2Na-H"	44.97116
"185192"	207.041618	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+2Na"	45.978436
"624025"	299.067818	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+2Na"	45.978436
"1124251"	115.015418	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2Na"	45.978436
"1405587"	77.012704	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H+2Na"	46.985712
"1435516"	231.065146	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H+HCOOH"	47.012746
"225209"	212.07464	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+3H2O+2H"	56.04448
"1515460"	245.11719	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+IsoProp+H"	61.06479
"411866"	215.028588	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+Na+K"	61.952376
"776139"	307.054788	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+Na+K"	61.952376
"1675755"	123.002388	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Na+K"	61.952376
"254619"	432.120568	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+ACN+Na"	64.015768
"1238273"	248.068168	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+ACN+Na"	64.015768
"1720596"	248.091693	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+NH4+HCOOH"	64.039293
"1185950"	84.340018	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+3Na"	68.967654
"1659125"	253.047088	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Na+HCOOH"	68.994688
"164893"	445.02384	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+2K-H"	76.91904
"606640"	629.07624	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+2K-H"	76.91904
"1099577"	260.97144	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2K-H"	76.91904
"156474"	223.015558	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"2M+2K"	77.926316
"595181"	315.041758	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"3M+2K"	77.926316
"1083747"	130.989358	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2K"	77.926316
"1113876"	262.985992	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2K+H"	78.933592
"1350017"	263.073607	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+DMSO+H"	79.021207
"1021316"	267.112776	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2ACN+H"	83.060376
"1539102"	268.106408	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+IsoProp+Na+H"	84.054008
"1005187"	134.060026	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+2ACN+2H"	84.067652
"1591426"	269.021028	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+K+HCOOH"	84.968628
"1429608"	299.052538	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+H+CF3COOH"	115.000138
"1153940"	154.573301	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+3ACN+2H"	125.094202
"1708960"	316.079085	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+NH4+CF3COOH"	132.026685
"1645704"	321.03448	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+Na+CF3COOH"	136.98208
"1583540"	337.00842	"C14409"	"2-Hydroxydibenzofuran;Dibenzofuran-2-ol"	"C12H8O2"	"184.0524"	"M+K+CF3COOH"	152.95602
"804063"	290.155	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M"	0
"974591"	271.13661	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-H2O-H"	-19.01839
"63443"	192.429390666667	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M-3H"	-3.021828
"503410"	289.147724	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M-3H"	-3.021828
"880645"	95.7110573333333	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-3H"	-3.021828
"14549"	289.147724	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M-2H"	-2.014552
"453376"	434.225224	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M-2H"	-2.014552
"831546"	144.070224	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-2H"	-2.014552
"93238"	579.302724	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M-H"	-1.007276
"532918"	869.457724	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M-H"	-1.007276
"909263"	289.147724	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-H"	-1.007276
"61690"	596.329271	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M-2H+NH4"	16.019271
"502230"	886.484271	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M-2H+NH4"	16.019271
"879180"	306.174271	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-2H+NH4"	16.019271
"46351"	601.284666	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M-2H+Na"	20.974666
"486721"	891.439666	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M-2H+Na"	20.974666
"863346"	311.129666	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-2H+Na"	20.974666
"1631300"	311.129666	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Na-2H"	20.974666
"106128"	307.136063	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M-H+Cl"	33.962126
"545685"	452.213563	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M-H+Cl"	33.962126
"933734"	162.058563	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-H+Cl"	33.962126
"274476"	615.279402	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+Cl"	34.969402
"660575"	905.434402	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+Cl"	34.969402
"1283677"	325.124402	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Cl"	34.969402
"28423"	617.258606	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M-2H+K"	36.948606
"466888"	907.413606	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M-2H+K"	36.948606
"837035"	327.103606	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-2H+K"	36.948606
"1567085"	327.103606	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+K-2H"	36.948606
"948405"	335.153194	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-H+HCOOH"	44.998194
"363339"	625.308201	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+HCOOH-H"	44.998201
"352693"	639.323851	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+Hac-H"	59.013851
"1508219"	349.168851	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Hac-H"	59.013851
"973083"	357.135151	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-H+NaCOOH"	66.980151
"121259"	325.124402	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+2Cl"	69.938804
"556445"	470.201902	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+2Cl"	69.938804
"1028525"	180.046902	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2Cl"	69.938804
"1245918"	369.073885	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Br"	78.918885
"1307271"	371.129872	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Cl+HCOOH"	80.974872
"1332427"	393.111829	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Cl+NaCOOH"	102.956829
"923131"	403.140586	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M-H+CF3COOH"	112.985586
"1301659"	439.117264	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Cl+CF3COOH"	148.962264
"1380913"	255.142324	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H-2H2O"	-35.012676
"1390393"	273.1523	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H-H2O"	-17.0027
"293364"	581.317276	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+H"	1.007276
"689430"	871.472276	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+H"	1.007276
"1365417"	291.162276	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H"	1.007276
"140616"	291.162276	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+2H"	2.014552
"568025"	436.239776	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+2H"	2.014552
"1048123"	146.084776	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2H"	2.014552
"215661"	194.443942666667	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+3H"	3.021828
"655221"	291.162276	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+3H"	3.021828
"1175531"	97.7256093333333	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+3H"	3.021828
"433336"	598.343823	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+NH4"	18.033823
"791050"	888.498823	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+NH4"	18.033823
"1686288"	308.188823	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+NH4"	18.033823
"336753"	299.6755495	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+H+NH4"	19.041099
"734280"	444.7530495	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+H+NH4"	19.041099
"1488099"	154.5980495	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H+NH4"	19.041099
"399487"	603.299218	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+Na"	22.989218
"763767"	893.454218	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+Na"	22.989218
"1614053"	313.144218	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Na"	22.989218
"324090"	302.153247	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+H+Na"	23.996494
"720159"	447.230747	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+H+Na"	23.996494
"1473611"	157.075747	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H+Na"	23.996494
"1065035"	105.052923333333	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2H+Na"	25.00377
"1269875"	323.188486	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+CH3OH+H"	33.033486
"390395"	619.273158	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+K"	38.963158
"752849"	909.428158	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+K"	38.963158
"1546879"	329.118158	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+K"	38.963158
"305880"	310.140217	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+H+K"	39.970434
"705472"	455.217717	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+H+K"	39.970434
"1460145"	165.062717	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H+K"	39.970434
"250938"	622.343826	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+ACN+H"	42.033826
"1225349"	332.188826	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+ACN+H"	42.033826
"1206070"	166.598051	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+ACN+2H"	43.041102
"201860"	625.28116	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+2Na-H"	44.97116
"641786"	915.43616	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+2Na-H"	44.97116
"1141278"	335.12616	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2Na-H"	44.97116
"184212"	313.144218	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+2Na"	45.978436
"618667"	458.221718	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+2Na"	45.978436
"1121081"	168.066718	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2Na"	45.978436
"1402417"	112.380237333333	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H+2Na"	46.985712
"1434533"	337.167746	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H+HCOOH"	47.012746
"224227"	318.17724	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+3H2O+2H"	56.04448
"1514477"	351.21979	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+IsoProp+H"	61.06479
"418172"	321.131188	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+Na+K"	61.952376
"776250"	466.208688	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+Na+K"	61.952376
"1673679"	176.053688	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Na+K"	61.952376
"255092"	644.325768	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+ACN+Na"	64.015768
"1238383"	354.170768	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+ACN+Na"	64.015768
"1720706"	354.194293	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+NH4+HCOOH"	64.039293
"1186060"	119.707551333333	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+3Na"	68.967654
"1661422"	359.149688	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Na+HCOOH"	68.994688
"166096"	657.22904	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+2K-H"	76.91904
"611124"	947.38404	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+2K-H"	76.91904
"1098915"	367.07404	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2K-H"	76.91904
"156219"	329.118158	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"2M+2K"	77.926316
"592011"	474.195658	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"3M+2K"	77.926316
"1084022"	184.040658	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2K"	77.926316
"1111920"	369.088592	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2K+H"	78.933592
"1350371"	369.176207	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+DMSO+H"	79.021207
"1020846"	373.215376	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2ACN+H"	83.060376
"1532772"	374.209008	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+IsoProp+Na+H"	84.054008
"1001408"	187.111326	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+2ACN+2H"	84.067652
"1591536"	375.123628	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+K+HCOOH"	84.968628
"1429226"	405.155138	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+H+CF3COOH"	115.000138
"1160611"	207.624601	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+3ACN+2H"	125.094202
"1710165"	422.181685	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+NH4+CF3COOH"	132.026685
"1648730"	427.13708	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+Na+CF3COOH"	136.98208
"1583650"	443.11102	"C14410"	"Phenbenzamine hydrochloride"	"C17H22N2HCl"	"290.155"	"M+K+CF3COOH"	152.95602
"804173"	132.0939	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M"	0
"974787"	113.07551	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-H2O-H"	-19.01839
"63392"	87.055324	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M-3H"	-3.021828
"504413"	131.086624	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M-3H"	-3.021828
"880390"	43.024024	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-3H"	-3.021828
"12469"	131.086624	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M-2H"	-2.014552
"452393"	197.133574	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M-2H"	-2.014552
"829832"	65.039674	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-2H"	-2.014552
"91644"	263.180524	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M-H"	-1.007276
"529747"	395.274424	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M-H"	-1.007276
"907184"	131.086624	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-H"	-1.007276
"59734"	280.207071	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M-2H+NH4"	16.019271
"501116"	412.300971	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M-2H+NH4"	16.019271
"878921"	148.113171	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-2H+NH4"	16.019271
"45361"	285.162466	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M-2H+Na"	20.974666
"482370"	417.256366	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M-2H+Na"	20.974666
"857988"	153.068566	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-2H+Na"	20.974666
"1627522"	153.068566	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Na-2H"	20.974666
"101864"	149.074963	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M-H+Cl"	33.962126
"541421"	215.121913	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M-H+Cl"	33.962126
"929471"	83.028013	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-H+Cl"	33.962126
"271306"	299.157202	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+Cl"	34.969402
"668099"	431.251102	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+Cl"	34.969402
"1278320"	167.063302	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Cl"	34.969402
"27438"	301.136406	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M-2H+K"	36.948606
"464811"	433.230306	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M-2H+K"	36.948606
"833212"	169.042506	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-2H+K"	36.948606
"1567195"	169.042506	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+K-2H"	36.948606
"946328"	177.092094	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-H+HCOOH"	44.998194
"361495"	309.186001	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+HCOOH-H"	44.998201
"352803"	323.201651	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+Hac-H"	59.013851
"1508085"	191.107751	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Hac-H"	59.013851
"970276"	199.074051	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-H+NaCOOH"	66.980151
"119182"	167.063302	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+2Cl"	69.938804
"556555"	233.110252	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+2Cl"	69.938804
"1025355"	101.016352	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2Cl"	69.938804
"1243841"	211.012785	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Br"	78.918885
"1307381"	213.068772	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Cl+HCOOH"	80.974872
"1330351"	235.050729	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Cl+NaCOOH"	102.956829
"923605"	245.079486	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M-H+CF3COOH"	112.985586
"1299216"	281.056164	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Cl+CF3COOH"	148.962264
"1381023"	97.081224	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H-2H2O"	-35.012676
"1392686"	115.0912	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H-H2O"	-17.0027
"287998"	265.195076	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+H"	1.007276
"689904"	397.288976	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+H"	1.007276
"1365163"	133.101176	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H"	1.007276
"140362"	133.101176	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+2H"	2.014552
"571415"	199.148126	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+2H"	2.014552
"1049326"	67.054226	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2H"	2.014552
"216864"	89.069876	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+3H"	3.021828
"655695"	133.101176	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+3H"	3.021828
"1175277"	45.038576	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+3H"	3.021828
"433446"	282.221623	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+NH4"	18.033823
"792254"	414.315523	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+NH4"	18.033823
"1686398"	150.127723	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+NH4"	18.033823
"336863"	141.6144495	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+H+NH4"	19.041099
"733297"	207.6613995	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+H+NH4"	19.041099
"1487480"	75.5674995	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H+NH4"	19.041099
"401784"	287.177018	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+Na"	22.989218
"765699"	419.270918	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+Na"	22.989218
"1615256"	155.083118	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Na"	22.989218
"324200"	144.092147	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+H+Na"	23.996494
"720512"	210.139097	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+H+Na"	23.996494
"1474085"	78.045197	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H+Na"	23.996494
"1066602"	52.36589	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2H+Na"	25.00377
"1270959"	165.127386	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+CH3OH+H"	33.033486
"388319"	303.150958	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+K"	38.963158
"752229"	435.244858	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+K"	38.963158
"1546989"	171.057058	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+K"	38.963158
"307083"	152.079117	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+H+K"	39.970434
"702423"	218.126067	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+H+K"	39.970434
"1459163"	86.032167	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H+K"	39.970434
"247765"	306.221626	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+ACN+H"	42.033826
"1223751"	174.127726	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+ACN+H"	42.033826
"1205449"	87.567501	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+ACN+2H"	43.041102
"199784"	309.15896	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+2Na-H"	44.97116
"640071"	441.25286	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+2Na-H"	44.97116
"1140296"	177.06506	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2Na-H"	44.97116
"181404"	155.083118	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+2Na"	45.978436
"622058"	221.130068	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+2Na"	45.978436
"1122282"	89.036168	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2Na"	45.978436
"1402527"	59.693204	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H+2Na"	46.985712
"1434644"	179.106646	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H+HCOOH"	47.012746
"224337"	160.11614	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+3H2O+2H"	56.04448
"1513494"	193.15869	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+IsoProp+H"	61.06479
"410993"	163.070088	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+Na+K"	61.952376
"771986"	229.117038	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+Na+K"	61.952376
"1674882"	97.023138	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Na+K"	61.952376
"252652"	328.203568	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+ACN+Na"	64.015768
"1238493"	196.109668	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+ACN+Na"	64.015768
"1719723"	196.133193	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+NH4+HCOOH"	64.039293
"1183983"	67.020518	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+3Na"	68.967654
"1654972"	201.088588	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Na+HCOOH"	68.994688
"165113"	341.10684	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+2K-H"	76.91904
"606860"	473.20074	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+2K-H"	76.91904
"1093557"	209.01294	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2K-H"	76.91904
"154747"	171.057058	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"2M+2K"	77.926316
"592121"	237.104008	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"3M+2K"	77.926316
"1082102"	105.010108	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2K"	77.926316
"1109844"	211.027492	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2K+H"	78.933592
"1346229"	211.115107	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+DMSO+H"	79.021207
"1018039"	215.154276	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2ACN+H"	83.060376
"1531789"	216.147908	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+IsoProp+Na+H"	84.054008
"998237"	108.080776	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+2ACN+2H"	84.067652
"1588365"	217.062528	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+K+HCOOH"	84.968628
"1429336"	247.094038	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+H+CF3COOH"	115.000138
"1157441"	128.594051	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+3ACN+2H"	125.094202
"1709182"	264.120585	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+NH4+CF3COOH"	132.026685
"1647747"	269.07598	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+Na+CF3COOH"	136.98208
"1583760"	285.04992	"C14411"	"Dicyclopentadiene"	"C10H12"	"132.0939"	"M+K+CF3COOH"	152.95602
"804283"	171.0354	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M"	0
"974531"	152.01701	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-H2O-H"	-19.01839
"63625"	113.016324	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M-3H"	-3.021828
"504887"	170.028124	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M-3H"	-3.021828
"881231"	56.004524	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-3H"	-3.021828
"11848"	170.028124	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M-2H"	-2.014552
"454326"	255.545824	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M-2H"	-2.014552
"830671"	84.510424	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-2H"	-2.014552
"92484"	341.063524	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M-H"	-1.007276
"530951"	512.098924	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M-H"	-1.007276
"907658"	170.028124	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-H"	-1.007276
"60938"	358.090071	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M-2H+NH4"	16.019271
"501105"	529.125471	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M-2H+NH4"	16.019271
"877934"	187.054671	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-2H+NH4"	16.019271
"45837"	363.045466	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M-2H+Na"	20.974666
"484669"	534.080866	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M-2H+Na"	20.974666
"859192"	192.010066	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-2H+Na"	20.974666
"1627633"	192.010066	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Na-2H"	20.974666
"104161"	188.016463	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M-H+Cl"	33.962126
"543719"	273.534163	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M-H+Cl"	33.962126
"936141"	102.498763	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-H+Cl"	33.962126
"273603"	377.040202	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+Cl"	34.969402
"668209"	548.075602	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+Cl"	34.969402
"1276607"	206.004802	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Cl"	34.969402
"27548"	379.019406	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M-2H+K"	36.948606
"462734"	550.054806	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M-2H+K"	36.948606
"834089"	207.984006	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-2H+K"	36.948606
"1565118"	207.984006	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+K-2H"	36.948606
"943762"	216.033594	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-H+HCOOH"	44.998194
"361853"	387.069001	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+HCOOH-H"	44.998201
"352913"	401.084651	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+Hac-H"	59.013851
"1499567"	230.049251	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Hac-H"	59.013851
"973505"	238.015551	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-H+NaCOOH"	66.980151
"122572"	206.004802	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+2Cl"	69.938804
"556665"	291.522502	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+2Cl"	69.938804
"1024733"	120.487102	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2Cl"	69.938804
"1246138"	249.954285	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Br"	78.918885
"1306031"	252.010272	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Cl+HCOOH"	80.974872
"1329366"	273.992229	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Cl+NaCOOH"	102.956829
"922257"	284.020986	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M-H+CF3COOH"	112.985586
"1299326"	319.997664	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Cl+CF3COOH"	148.962264
"1378581"	136.022724	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H-2H2O"	-35.012676
"1391703"	154.0327	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H-H2O"	-17.0027
"287015"	343.078076	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+H"	1.007276
"687827"	514.113476	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+H"	1.007276
"1365635"	172.042676	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H"	1.007276
"138890"	172.042676	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+2H"	2.014552
"579905"	257.560376	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+2H"	2.014552
"1049071"	86.524976	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2H"	2.014552
"217339"	115.030876	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+3H"	3.021828
"656533"	172.042676	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+3H"	3.021828
"1173563"	58.019076	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+3H"	3.021828
"432463"	360.104623	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+NH4"	18.033823
"792364"	531.140023	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+NH4"	18.033823
"1687601"	189.069223	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+NH4"	18.033823
"335880"	180.5559495	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+H+NH4"	19.041099
"734865"	266.0736495	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+H+NH4"	19.041099
"1486497"	95.0382495	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H+NH4"	19.041099
"400801"	365.060018	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+Na"	22.989218
"765080"	536.095418	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+Na"	22.989218
"1615366"	194.024618	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Na"	22.989218
"325404"	183.033647	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+H+Na"	23.996494
"721108"	268.551347	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+H+Na"	23.996494
"1473831"	97.515947	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H+Na"	23.996494
"1067076"	65.34639	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2H+Na"	25.00377
"1271918"	204.068886	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+CH3OH+H"	33.033486
"390251"	381.033958	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+K"	38.963158
"752703"	552.069358	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+K"	38.963158
"1550380"	209.998558	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+K"	38.963158
"308652"	191.020617	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+H+K"	39.970434
"704720"	276.538317	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+H+K"	39.970434
"1460002"	105.502917	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H+K"	39.970434
"248604"	384.104626	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+ACN+H"	42.033826
"1223499"	213.069226	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+ACN+H"	42.033826
"1207745"	107.038251	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+ACN+2H"	43.041102
"200987"	387.04196	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+2Na-H"	44.97116
"640181"	558.07736	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+2Na-H"	44.97116
"1141499"	216.00656	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2Na-H"	44.97116
"182607"	194.024618	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+2Na"	45.978436
"622898"	279.542318	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+2Na"	45.978436
"1121299"	108.506918	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2Na"	45.978436
"1411750"	72.673704	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H+2Na"	46.985712
"1438033"	218.048146	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H+HCOOH"	47.012746
"222261"	199.05764	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+3H2O+2H"	56.04448
"1515792"	232.10019	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+IsoProp+H"	61.06479
"410009"	202.011588	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+Na+K"	61.952376
"770190"	287.529288	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+Na+K"	61.952376
"1672806"	116.493888	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Na+K"	61.952376
"251790"	406.086568	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+ACN+Na"	64.015768
"1240427"	235.051168	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+ACN+Na"	64.015768
"1722020"	235.074693	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+NH4+HCOOH"	64.039293
"1186280"	80.001018	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+3Na"	68.967654
"1658361"	240.030088	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Na+HCOOH"	68.994688
"169597"	418.98984	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+2K-H"	76.91904
"606970"	590.02524	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+2K-H"	76.91904
"1095854"	247.95444	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2K-H"	76.91904
"153764"	209.998558	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"2M+2K"	77.926316
"592231"	295.516258	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"3M+2K"	77.926316
"1082212"	124.480858	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2K"	77.926316
"1112139"	249.968992	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2K+H"	78.933592
"1349498"	250.056607	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+DMSO+H"	79.021207
"1018149"	254.095776	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2ACN+H"	83.060376
"1531899"	255.089408	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+IsoProp+Na+H"	84.054008
"998347"	127.551526	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+2ACN+2H"	84.067652
"1589930"	256.004028	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+K+HCOOH"	84.968628
"1429446"	286.035538	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+H+CF3COOH"	115.000138
"1160831"	148.064801	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+3ACN+2H"	125.094202
"1709656"	303.062085	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+NH4+CF3COOH"	132.026685
"1646764"	308.01748	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+Na+CF3COOH"	136.98208
"1583870"	323.99142	"C14412"	"4-Toluenesulfonamide"	"C7H9NO2S"	"171.0354"	"M+K+CF3COOH"	152.95602
"804393"	385.9884	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M"	0
"975008"	366.97001	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-H2O-H"	-19.01839
"64343"	256.318324	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M-3H"	-3.021828
"505727"	384.981124	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M-3H"	-3.021828
"882798"	127.655524	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-3H"	-3.021828
"14146"	384.981124	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M-2H"	-2.014552
"453707"	577.975324	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M-2H"	-2.014552
"830541"	191.986924	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-2H"	-2.014552
"92961"	770.969524	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M-H"	-1.007276
"529971"	1156.957924	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M-H"	-1.007276
"908863"	384.981124	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-H"	-1.007276
"61535"	787.996071	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M-2H+NH4"	16.019271
"501339"	1173.984471	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M-2H+NH4"	16.019271
"878169"	402.007671	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-2H+NH4"	16.019271
"46963"	792.951466	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M-2H+Na"	20.974666
"483687"	1178.939866	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M-2H+Na"	20.974666
"857115"	406.963066	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-2H+Na"	20.974666
"1627741"	406.963066	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Na-2H"	20.974666
"103176"	402.969463	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M-H+Cl"	33.962126
"543829"	595.963663	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M-H+Cl"	33.962126
"930781"	209.975263	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-H+Cl"	33.962126
"274807"	806.946202	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+Cl"	34.969402
"669415"	1192.934602	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+Cl"	34.969402
"1276353"	420.957802	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Cl"	34.969402
"26566"	808.925406	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M-2H+K"	36.948606
"460657"	1194.913806	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M-2H+K"	36.948606
"834813"	422.937006	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-2H+K"	36.948606
"1558665"	422.937006	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+K-2H"	36.948606
"943991"	430.986594	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-H+HCOOH"	44.998194
"364763"	816.975001	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+HCOOH-H"	44.998201
"353023"	830.990651	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+Hac-H"	59.013851
"1500763"	445.002251	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Hac-H"	59.013851
"973539"	452.968551	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-H+NaCOOH"	66.980151
"124872"	420.957802	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+2Cl"	69.938804
"563336"	613.952002	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+2Cl"	69.938804
"1028855"	227.963602	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2Cl"	69.938804
"1252809"	464.907285	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Br"	78.918885
"1306508"	466.963272	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Cl+HCOOH"	80.974872
"1331300"	488.945229	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Cl+NaCOOH"	102.956829
"920542"	498.973986	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M-H+CF3COOH"	112.985586
"1301623"	534.950664	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Cl+CF3COOH"	148.962264
"1377598"	350.975724	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H-2H2O"	-35.012676
"1389626"	368.9857	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H-H2O"	-17.0027
"287125"	772.984076	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+H"	1.007276
"678453"	1158.972476	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+H"	1.007276
"1360276"	386.995676	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H"	1.007276
"130976"	386.995676	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+2H"	2.014552
"570535"	579.989876	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+2H"	2.014552
"1049549"	194.001476	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2H"	2.014552
"216721"	258.332876	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+3H"	3.021828
"657741"	386.995676	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+3H"	3.021828
"1175497"	129.670076	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+3H"	3.021828
"433666"	790.010623	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+NH4"	18.033823
"792474"	1175.999023	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+NH4"	18.033823
"1689899"	404.022223	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+NH4"	18.033823
"337083"	395.5089495	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+H+NH4"	19.041099
"735704"	588.5031495	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+H+NH4"	19.041099
"1489526"	202.5147495	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H+NH4"	19.041099
"406624"	794.966018	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+Na"	22.989218
"764099"	1180.954418	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+Na"	22.989218
"1616569"	408.977618	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Na"	22.989218
"328672"	397.986647	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+H+Na"	23.996494
"721946"	590.980847	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+H+Na"	23.996494
"1476494"	204.992447	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H+Na"	23.996494
"1067795"	136.99739	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2H+Na"	25.00377
"1272352"	419.021886	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+CH3OH+H"	33.033486
"392062"	810.939958	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+K"	38.963158
"754195"	1196.928358	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+K"	38.963158
"1548306"	424.951558	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+K"	38.963158
"308762"	405.973617	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+H+K"	39.970434
"706289"	598.967817	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+H+K"	39.970434
"1461193"	212.979417	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H+K"	39.970434
"247624"	814.010626	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+ACN+H"	42.033826
"1218511"	428.022226	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+ACN+H"	42.033826
"1205671"	214.514751	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+ACN+2H"	43.041102
"199639"	816.94796	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+2Na-H"	44.97116
"639199"	1202.93636	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+2Na-H"	44.97116
"1142702"	430.95956	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2Na-H"	44.97116
"183811"	408.977618	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+2Na"	45.978436
"618998"	601.971818	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+2Na"	45.978436
"1121410"	215.983418	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2Na"	45.978436
"1404934"	144.324704	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H+2Na"	46.985712
"1433769"	433.001146	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H+HCOOH"	47.012746
"224558"	414.01064	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+3H2O+2H"	56.04448
"1511526"	447.05319	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+IsoProp+H"	61.06479
"411211"	416.964588	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+Na+K"	61.952376
"773298"	609.958788	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+Na+K"	61.952376
"1670720"	223.970388	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Na+K"	61.952376
"252143"	835.992568	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+ACN+Na"	64.015768
"1239441"	450.004168	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+ACN+Na"	64.015768
"1721765"	450.027693	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+NH4+HCOOH"	64.039293
"1189672"	151.652018	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+3Na"	68.967654
"1658471"	454.983088	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Na+HCOOH"	68.994688
"170801"	848.89584	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+2K-H"	76.91904
"611454"	1234.88424	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+2K-H"	76.91904
"1099132"	462.90744	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2K-H"	76.91904
"155940"	424.951558	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"2M+2K"	77.926316
"594529"	617.945758	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"3M+2K"	77.926316
"1083052"	231.957358	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2K"	77.926316
"1111157"	464.921992	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2K+H"	78.933592
"1348637"	465.009607	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+DMSO+H"	79.021207
"1014978"	469.048776	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2ACN+H"	83.060376
"1528729"	470.042408	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+IsoProp+Na+H"	84.054008
"992259"	235.028026	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+2ACN+2H"	84.067652
"1588219"	470.957028	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+K+HCOOH"	84.968628
"1420808"	500.988538	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+H+CF3COOH"	115.000138
"1159485"	255.541301	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+3ACN+2H"	125.094202
"1709402"	518.015085	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+NH4+CF3COOH"	132.026685
"1646144"	522.97048	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+Na+CF3COOH"	136.98208
"1583980"	538.94442	"C14413"	"Triphenyltin chloride"	"C18H15ClSn"	"385.9884"	"M+K+CF3COOH"	152.95602
"813251"	113.0113	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M"	0
"978037"	93.99291	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-H2O-H"	-19.01839
"70651"	74.3335906666667	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M-3H"	-3.021828
"514584"	112.004024	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M-3H"	-3.021828
"884734"	36.6631573333333	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-3H"	-3.021828
"14987"	112.004024	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M-2H"	-2.014552
"453457"	168.509674	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M-2H"	-2.014552
"829072"	55.498374	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-2H"	-2.014552
"91860"	225.015324	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M-H"	-1.007276
"533602"	338.026624	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M-H"	-1.007276
"910798"	112.004024	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-H"	-1.007276
"62299"	242.041871	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M-2H+NH4"	16.019271
"501451"	355.053171	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M-2H+NH4"	16.019271
"877796"	129.030571	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-2H+NH4"	16.019271
"46306"	246.997266	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M-2H+Na"	20.974666
"486875"	360.008566	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M-2H+Na"	20.974666
"861600"	133.985966	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-2H+Na"	20.974666
"1633887"	133.985966	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Na-2H"	20.974666
"109687"	129.992363	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M-H+Cl"	33.962126
"549285"	186.498013	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M-H+Cl"	33.962126
"937454"	73.486713	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-H+Cl"	33.962126
"281113"	260.992002	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+Cl"	34.969402
"673898"	374.003302	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+Cl"	34.969402
"1278650"	147.980702	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Cl"	34.969402
"27770"	262.971206	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M-2H+K"	36.948606
"461861"	375.982506	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M-2H+K"	36.948606
"837475"	149.959906	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-2H+K"	36.948606
"1558047"	149.959906	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+K-2H"	36.948606
"943496"	158.009494	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-H+HCOOH"	44.998194
"365237"	271.020801	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+HCOOH-H"	44.998201
"353133"	285.036451	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+Hac-H"	59.013851
"1503425"	172.025151	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Hac-H"	59.013851
"973288"	179.991451	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-H+NaCOOH"	66.980151
"124981"	147.980702	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+2Cl"	69.938804
"563446"	204.486352	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+2Cl"	69.938804
"1027872"	91.475052	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2Cl"	69.938804
"1255836"	191.930185	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Br"	78.918885
"1313179"	193.986172	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Cl+HCOOH"	80.974872
"1335063"	215.968129	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Cl+NaCOOH"	102.956829
"922839"	225.996886	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M-H+CF3COOH"	112.985586
"1301733"	261.973564	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Cl+CF3COOH"	148.962264
"1378437"	77.998624	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H-2H2O"	-35.012676
"1390829"	96.0086	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H-H2O"	-17.0027
"297807"	227.029876	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+H"	1.007276
"682937"	340.041176	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+H"	1.007276
"1359291"	114.018576	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H"	1.007276
"131450"	114.018576	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+2H"	2.014552
"569551"	170.524226	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+2H"	2.014552
"1050388"	57.512926	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2H"	2.014552
"217923"	76.3481426666667	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+3H"	3.021828
"657486"	114.018576	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+3H"	3.021828
"1175608"	38.6777093333333	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+3H"	3.021828
"435965"	244.056423	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+NH4"	18.033823
"793678"	357.067723	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+NH4"	18.033823
"1687823"	131.045123	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+NH4"	18.033823
"340475"	122.5318495	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+H+NH4"	19.041099
"735816"	179.0374995	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+H+NH4"	19.041099
"1491094"	66.0261995	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H+NH4"	19.041099
"405398"	249.011818	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+Na"	22.989218
"764209"	362.023118	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+Na"	22.989218
"1614493"	136.000518	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Na"	22.989218
"326718"	125.009547	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+H+Na"	23.996494
"722387"	181.515197	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+H+Na"	23.996494
"1475874"	68.503897	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H+Na"	23.996494
"1068427"	46.0050233333333	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2H+Na"	25.00377
"1272506"	146.044786	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+CH3OH+H"	33.033486
"392420"	264.985758	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+K"	38.963158
"754026"	377.997058	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+K"	38.963158
"1554980"	151.974458	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+K"	38.963158
"313616"	132.996517	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+H+K"	39.970434
"706938"	189.502167	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+H+K"	39.970434
"1461253"	76.490867	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H+K"	39.970434
"249192"	268.056426	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+ACN+H"	42.033826
"1220808"	155.045126	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+ACN+H"	42.033826
"1205783"	78.026201	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+ACN+2H"	43.041102
"201209"	270.99376	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+2Na-H"	44.97116
"640768"	384.00506	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+2Na-H"	44.97116
"1143908"	157.98246	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2Na-H"	44.97116
"185744"	136.000518	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+2Na"	45.978436
"621295"	192.506168	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+2Na"	45.978436
"1125893"	79.494868	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2Na"	45.978436
"1407231"	53.3323373333333	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H+2Na"	46.985712
"1436065"	160.024046	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H+HCOOH"	47.012746
"224668"	141.03354	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+3H2O+2H"	56.04448
"1514916"	174.07609	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+IsoProp+H"	61.06479
"417880"	143.987488	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+Na+K"	61.952376
"777782"	200.493138	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+Na+K"	61.952376
"1670830"	87.481838	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Na+K"	61.952376
"259537"	290.038368	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+ACN+Na"	64.015768
"1233341"	177.027068	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+ACN+Na"	64.015768
"1721149"	177.050593	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+NH4+HCOOH"	64.039293
"1188690"	60.6596513333333	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+3Na"	68.967654
"1660769"	182.005988	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Na+HCOOH"	68.994688
"168724"	302.94164	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+2K-H"	76.91904
"611563"	415.95294	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+2K-H"	76.91904
"1099725"	189.93034	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2K-H"	76.91904
"150702"	151.974458	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"2M+2K"	77.926316
"596225"	208.480108	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"3M+2K"	77.926316
"1083533"	95.468808	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2K"	77.926316
"1113333"	191.944892	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2K+H"	78.933592
"1347652"	192.032507	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+DMSO+H"	79.021207
"1016182"	196.071676	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2ACN+H"	83.060376
"1532119"	197.065308	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+IsoProp+Na+H"	84.054008
"993096"	98.539476	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+2ACN+2H"	84.067652
"1590151"	197.979928	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+K+HCOOH"	84.968628
"1420918"	228.011438	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+H+CF3COOH"	115.000138
"1160690"	119.052751	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+3ACN+2H"	125.094202
"1710971"	245.037985	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+NH4+CF3COOH"	132.026685
"1648806"	249.99338	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+Na+CF3COOH"	136.98208
"1584090"	265.96732	"C14414"	"2-Nitrofuran;AI3-23606"	"C4H3NO3"	"113.0113"	"M+K+CF3COOH"	152.95602
"804613"	76.0095	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M"	0
"974321"	56.99111	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-H2O-H"	-19.01839
"64199"	49.665724	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M-3H"	-3.021828
"503055"	75.002224	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M-3H"	-3.021828
"879978"	24.329224	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-3H"	-3.021828
"14008"	75.002224	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M-2H"	-2.014552
"453571"	113.006974	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M-2H"	-2.014552
"830278"	36.997474	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-2H"	-2.014552
"92458"	151.011724	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M-H"	-1.007276
"533877"	227.021224	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M-H"	-1.007276
"911112"	75.002224	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-H"	-1.007276
"62248"	168.038271	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M-2H+NH4"	16.019271
"502413"	244.047771	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M-2H+NH4"	16.019271
"879491"	92.028771	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-2H+NH4"	16.019271
"46540"	172.993666	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M-2H+Na"	20.974666
"486909"	249.003166	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M-2H+Na"	20.974666
"862802"	96.984166	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-2H+Na"	20.974666
"1631241"	96.984166	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Na-2H"	20.974666
"105582"	92.990563	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M-H+Cl"	33.962126
"545142"	130.995313	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M-H+Cl"	33.962126
"933191"	54.985813	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-H+Cl"	33.962126
"279036"	186.988402	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+Cl"	34.969402
"672916"	262.997902	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+Cl"	34.969402
"1276573"	110.978902	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Cl"	34.969402
"27880"	188.967606	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M-2H+K"	36.948606
"463064"	264.977106	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M-2H+K"	36.948606
"837585"	112.958106	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-2H+K"	36.948606
"1558157"	112.958106	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+K-2H"	36.948606
"942932"	121.007694	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-H+HCOOH"	44.998194
"363161"	197.017201	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+HCOOH-H"	44.998201
"353243"	211.032851	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+Hac-H"	59.013851
"1503535"	135.023351	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Hac-H"	59.013851
"973155"	142.989651	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-H+NaCOOH"	66.980151
"125419"	110.978902	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+2Cl"	69.938804
"563556"	148.983652	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+2Cl"	69.938804
"1029074"	72.974152	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2Cl"	69.938804
"1256310"	154.928385	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Br"	78.918885
"1316569"	156.984372	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Cl+HCOOH"	80.974872
"1335403"	178.966329	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Cl+NaCOOH"	102.956829
"925138"	188.995086	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M-H+CF3COOH"	112.985586
"1303548"	224.971764	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Cl+CF3COOH"	148.962264
"1378911"	40.996824	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H-2H2O"	-35.012676
"1397138"	59.0068	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H-H2O"	-17.0027
"297554"	153.026276	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+H"	1.007276
"688516"	229.035776	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+H"	1.007276
"1362686"	77.016776	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H"	1.007276
"139221"	77.016776	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+2H"	2.014552
"580727"	115.021526	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+2H"	2.014552
"1051229"	39.012026	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2H"	2.014552
"218034"	51.680276	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+3H"	3.021828
"657595"	77.016776	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+3H"	3.021828
"1176085"	26.343776	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+3H"	3.021828
"434983"	170.052823	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+NH4"	18.033823
"794883"	246.062323	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+NH4"	18.033823
"1691214"	94.043323	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+NH4"	18.033823
"344962"	85.5300495	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+H+NH4"	19.041099
"735926"	123.5347995	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+H+NH4"	19.041099
"1490112"	47.5252995	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H+NH4"	19.041099
"404417"	175.008218	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+Na"	22.989218
"765411"	251.017718	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+Na"	22.989218
"1613510"	98.998718	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Na"	22.989218
"326828"	88.007747	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+H+Na"	23.996494
"719250"	126.012497	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+H+Na"	23.996494
"1470883"	50.002997	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H+Na"	23.996494
"1068305"	33.67109	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2H+Na"	25.00377
"1272128"	109.042986	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+CH3OH+H"	33.033486
"392615"	190.982158	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+K"	38.963158
"753845"	266.991658	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+K"	38.963158
"1554974"	114.972658	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+K"	38.963158
"313974"	95.994717	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+H+K"	39.970434
"706517"	133.999467	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+H+K"	39.970434
"1459245"	57.989967	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H+K"	39.970434
"247848"	194.052826	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+ACN+H"	42.033826
"1223837"	118.043326	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+ACN+H"	42.033826
"1207720"	59.525301	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+ACN+2H"	43.041102
"203551"	196.99016	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+2Na-H"	44.97116
"640880"	272.99966	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+2Na-H"	44.97116
"1146873"	120.98066	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2Na-H"	44.97116
"186953"	98.998718	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+2Na"	45.978436
"623593"	137.003468	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+2Na"	45.978436
"1124912"	60.993968	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2Na"	45.978436
"1411716"	40.998404	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H+2Na"	46.985712
"1432048"	123.022246	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H+HCOOH"	47.012746
"226968"	104.03174	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+3H2O+2H"	56.04448
"1518311"	137.07429	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+IsoProp+H"	61.06479
"421276"	106.985688	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+Na+K"	61.952376
"778987"	144.990438	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+Na+K"	61.952376
"1674221"	68.980938	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Na+K"	61.952376
"259648"	216.034768	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+ACN+Na"	64.015768
"1231266"	140.025268	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+ACN+Na"	64.015768
"1722351"	140.048793	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+NH4+HCOOH"	64.039293
"1192810"	48.325718	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+3Na"	68.967654
"1660880"	145.004188	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Na+HCOOH"	68.994688
"171020"	228.93804	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+2K-H"	76.91904
"612409"	304.94754	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+2K-H"	76.91904
"1099867"	152.92854	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2K-H"	76.91904
"156279"	114.972658	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"2M+2K"	77.926316
"596781"	152.977408	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"3M+2K"	77.926316
"1084003"	76.967908	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2K"	77.926316
"1114416"	154.943092	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2K+H"	78.933592
"1349829"	155.030707	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+DMSO+H"	79.021207
"1019451"	159.069876	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2ACN+H"	83.060376
"1534416"	160.063508	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+IsoProp+Na+H"	84.054008
"994302"	80.038576	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+2ACN+2H"	84.067652
"1590990"	160.978128	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+K+HCOOH"	84.968628
"1421028"	191.009638	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+H+CF3COOH"	115.000138
"1161165"	100.551851	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+3ACN+2H"	125.094202
"1710717"	208.036185	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+NH4+CF3COOH"	132.026685
"1646367"	212.99158	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+Na+CF3COOH"	136.98208
"1584200"	228.96552	"C14415"	"Thiourea"	"CH4N2S"	"76.0095"	"M+K+CF3COOH"	152.95602
"804723"	197.0953	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M"	0
"975094"	178.07691	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-H2O-H"	-19.01839
"66496"	130.389590666667	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M-3H"	-3.021828
"504963"	196.088024	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M-3H"	-3.021828
"880290"	64.6911573333333	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-3H"	-3.021828
"14604"	196.088024	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M-2H"	-2.014552
"453681"	294.635674	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M-2H"	-2.014552
"829659"	97.540374	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-2H"	-2.014552
"93054"	393.183324	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M-H"	-1.007276
"533336"	590.278624	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M-H"	-1.007276
"910042"	196.088024	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-H"	-1.007276
"62112"	410.209871	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M-2H+NH4"	16.019271
"502037"	607.305171	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M-2H+NH4"	16.019271
"878992"	213.114571	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-2H+NH4"	16.019271
"45919"	415.165266	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M-2H+Na"	20.974666
"485113"	612.260566	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M-2H+Na"	20.974666
"862915"	218.069966	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-2H+Na"	20.974666
"1631351"	218.069966	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Na-2H"	20.974666
"105692"	214.076363	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M-H+Cl"	33.962126
"546345"	312.624013	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M-H+Cl"	33.962126
"936581"	115.528713	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-H+Cl"	33.962126
"276959"	429.160002	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+Cl"	34.969402
"668649"	626.255302	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+Cl"	34.969402
"1278870"	232.064702	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Cl"	34.969402
"29691"	431.139206	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M-2H+K"	36.948606
"466454"	628.234506	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M-2H+K"	36.948606
"837695"	234.043906	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-2H+K"	36.948606
"1558267"	234.043906	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+K-2H"	36.948606
"943597"	242.093494	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-H+HCOOH"	44.998194
"361406"	439.188801	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+HCOOH-H"	44.998201
"353353"	453.204451	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+Hac-H"	59.013851
"1496352"	256.109151	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Hac-H"	59.013851
"971562"	264.075451	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-H+NaCOOH"	66.980151
"125083"	232.064702	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+2Cl"	69.938804
"561480"	330.612352	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+2Cl"	69.938804
"1025904"	133.517052	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2Cl"	69.938804
"1252045"	276.014185	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Br"	78.918885
"1310119"	278.070172	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Cl+HCOOH"	80.974872
"1330902"	300.052129	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Cl+NaCOOH"	102.956829
"926219"	310.080886	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M-H+CF3COOH"	112.985586
"1299763"	346.057564	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Cl+CF3COOH"	148.962264
"1375741"	162.082624	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H-2H2O"	-35.012676
"1389956"	180.0926	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H-H2O"	-17.0027
"289642"	395.197876	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+H"	1.007276
"683157"	592.293176	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+H"	1.007276
"1366688"	198.102576	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H"	1.007276
"139695"	198.102576	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+2H"	2.014552
"580715"	296.650226	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+2H"	2.014552
"1051941"	99.554926	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2H"	2.014552
"218509"	132.404142666667	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+3H"	3.021828
"657343"	198.102576	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+3H"	3.021828
"1175832"	66.7057093333333	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+3H"	3.021828
"438010"	412.224423	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+NH4"	18.033823
"798276"	609.319723	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+NH4"	18.033823
"1693513"	215.129123	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+NH4"	18.033823
"344588"	206.6158495	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+H+NH4"	19.041099
"737133"	305.1634995	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+H+NH4"	19.041099
"1491315"	108.0681995	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H+NH4"	19.041099
"405621"	417.179818	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+Na"	22.989218
"764428"	614.275118	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+Na"	22.989218
"1613620"	220.084518	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Na"	22.989218
"326938"	209.093547	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+H+Na"	23.996494
"719360"	307.641197	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+H+Na"	23.996494
"1470993"	110.545897	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H+Na"	23.996494
"1066911"	74.0330233333333	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2H+Na"	25.00377
"1271631"	230.128786	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+CH3OH+H"	33.033486
"392683"	433.153758	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+K"	38.963158
"753266"	630.249058	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+K"	38.963158
"1555246"	236.058458	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+K"	38.963158
"313762"	217.080517	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+H+K"	39.970434
"705531"	315.628167	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+H+K"	39.970434
"1460332"	118.532867	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H+K"	39.970434
"249056"	436.224426	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+ACN+H"	42.033826
"1223223"	239.129126	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+ACN+H"	42.033826
"1208931"	120.068201	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+ACN+2H"	43.041102
"202775"	439.16176	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+2Na-H"	44.97116
"641970"	636.25706	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+2Na-H"	44.97116
"1146994"	242.06646	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2Na-H"	44.97116
"187308"	220.084518	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+2Na"	45.978436
"627922"	318.632168	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+2Na"	45.978436
"1130372"	121.536868	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2Na"	45.978436
"1412925"	81.3603373333333	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H+2Na"	46.985712
"1435196"	244.108046	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H+HCOOH"	47.012746
"228172"	225.11754	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+3H2O+2H"	56.04448
"1518420"	258.16009	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+IsoProp+H"	61.06479
"423783"	228.071488	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+Na+K"	61.952376
"776914"	326.619138	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+Na+K"	61.952376
"1672151"	129.523838	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Na+K"	61.952376
"261950"	458.206368	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+ACN+Na"	64.015768
"1232473"	261.111068	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+ACN+Na"	64.015768
"1723556"	261.134593	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+NH4+HCOOH"	64.039293
"1193854"	88.6876513333333	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+3Na"	68.967654
"1665243"	266.089988	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Na+HCOOH"	68.994688
"172473"	471.10964	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+2K-H"	76.91904
"612479"	668.20494	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+2K-H"	76.91904
"1099459"	274.01434	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2K-H"	76.91904
"157111"	236.058458	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"2M+2K"	77.926316
"596811"	334.606108	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"3M+2K"	77.926316
"1084101"	137.510808	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2K"	77.926316
"1112957"	276.028892	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2K+H"	78.933592
"1350791"	276.116507	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+DMSO+H"	79.021207
"1018589"	280.155676	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2ACN+H"	83.060376
"1530151"	281.149308	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+IsoProp+Na+H"	84.054008
"993319"	140.581476	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+2ACN+2H"	84.067652
"1588914"	282.063928	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+K+HCOOH"	84.968628
"1417857"	312.095438	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+H+CF3COOH"	115.000138
"1160911"	161.094751	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+3ACN+2H"	125.094202
"1710828"	329.121985	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+NH4+CF3COOH"	132.026685
"1647570"	334.07738	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+Na+CF3COOH"	136.98208
"1584310"	350.05132	"C14416"	"Trp-P-2;3-Amino-1-methyl-5H-pyrido43-bindole"	"C12H11N3"	"197.0953"	"M+K+CF3COOH"	152.95602
"804833"	193.0891	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M"	0
"976298"	174.07071	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-H2O-H"	-19.01839
"68793"	127.718790666667	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M-3H"	-3.021828
"507259"	192.081824	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M-3H"	-3.021828
"883967"	63.3557573333333	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-3H"	-3.021828
"13489"	192.081824	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M-2H"	-2.014552
"452332"	288.626374	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M-2H"	-2.014552
"830254"	95.537274	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-2H"	-2.014552
"91940"	385.170924	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M-H"	-1.007276
"532348"	578.260024	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M-H"	-1.007276
"909425"	192.081824	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-H"	-1.007276
"60393"	402.197471	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M-2H+NH4"	16.019271
"499467"	595.286571	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M-2H+NH4"	16.019271
"878364"	209.108371	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-2H+NH4"	16.019271
"45900"	407.152866	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M-2H+Na"	20.974666
"485218"	600.241966	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M-2H+Na"	20.974666
"861928"	214.063766	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-2H+Na"	20.974666
"1630369"	214.063766	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Na-2H"	20.974666
"105802"	210.070163	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M-H+Cl"	33.962126
"546455"	306.614713	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M-H+Cl"	33.962126
"938878"	113.525613	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-H+Cl"	33.962126
"275245"	421.147602	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+Cl"	34.969402
"672040"	614.236702	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+Cl"	34.969402
"1278980"	228.058502	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Cl"	34.969402
"25911"	423.126806	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M-2H+K"	36.948606
"466564"	616.215906	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M-2H+K"	36.948606
"834523"	230.037706	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-2H+K"	36.948606
"1559106"	230.037706	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+K-2H"	36.948606
"944800"	238.087294	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-H+HCOOH"	44.998194
"362154"	431.176401	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+HCOOH-H"	44.998201
"354556"	445.192051	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+Hac-H"	59.013851
"1496460"	252.102951	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Hac-H"	59.013851
"969843"	260.069251	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-H+NaCOOH"	66.980151
"120936"	228.058502	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+2Cl"	69.938804
"557215"	324.603052	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+2Cl"	69.938804
"1023098"	131.513952	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2Cl"	69.938804
"1247781"	272.007985	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Br"	78.918885
"1306946"	274.063972	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Cl+HCOOH"	80.974872
"1333201"	296.045929	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Cl+NaCOOH"	102.956829
"925721"	306.074686	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M-H+CF3COOH"	112.985586
"1297687"	342.051364	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Cl+CF3COOH"	148.962264
"1378035"	158.076424	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H-2H2O"	-35.012676
"1388973"	176.0864	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H-H2O"	-17.0027
"289752"	387.185476	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+H"	1.007276
"683267"	580.274576	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+H"	1.007276
"1365092"	194.096376	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H"	1.007276
"139802"	194.096376	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+2H"	2.014552
"579368"	290.640926	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+2H"	2.014552
"1051442"	97.551826	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2H"	2.014552
"216433"	129.733342666667	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+3H"	3.021828
"659276"	194.096376	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+3H"	3.021828
"1175212"	65.3703093333333	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+3H"	3.021828
"436298"	404.212023	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+NH4"	18.033823
"798022"	597.301123	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+NH4"	18.033823
"1692530"	211.122923	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+NH4"	18.033823
"344700"	202.6096495	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+H+NH4"	19.041099
"736757"	299.1541995	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+H+NH4"	19.041099
"1490332"	106.0650995	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H+NH4"	19.041099
"405731"	409.167418	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+Na"	22.989218
"766724"	602.256518	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+Na"	22.989218
"1611544"	216.078318	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Na"	22.989218
"323765"	205.087347	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+H+Na"	23.996494
"717280"	301.631897	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+H+Na"	23.996494
"1473289"	108.542797	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H+Na"	23.996494
"1065441"	72.6976233333333	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2H+Na"	25.00377
"1272106"	226.122586	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+CH3OH+H"	33.033486
"392015"	425.141358	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+K"	38.963158
"753618"	618.230458	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+K"	38.963158
"1554586"	232.052258	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+K"	38.963158
"313216"	213.074317	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+H+K"	39.970434
"705883"	309.618867	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+H+K"	39.970434
"1458737"	116.529767	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H+K"	39.970434
"249164"	428.212026	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+ACN+H"	42.033826
"1223333"	235.122926	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+ACN+H"	42.033826
"1208433"	118.065101	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+ACN+2H"	43.041102
"202274"	431.14936	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+2Na-H"	44.97116
"643174"	624.23846	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+2Na-H"	44.97116
"1146926"	238.06026	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2Na-H"	44.97116
"187170"	216.078318	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+2Na"	45.978436
"626613"	312.622868	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+2Na"	45.978436
"1128050"	119.533768	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2Na"	45.978436
"1413034"	80.0249373333333	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H+2Na"	46.985712
"1444055"	240.101846	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H+HCOOH"	47.012746
"231563"	221.11134	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+3H2O+2H"	56.04448
"1522784"	254.15389	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+IsoProp+H"	61.06479
"423324"	224.065288	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+Na+K"	61.952376
"775931"	320.609838	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+Na+K"	61.952376
"1674084"	127.520738	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Na+K"	61.952376
"262790"	450.193968	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+ACN+Na"	64.015768
"1234770"	257.104868	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+ACN+Na"	64.015768
"1723665"	257.128393	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+NH4+HCOOH"	64.039293
"1191207"	87.3522513333333	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+3Na"	68.967654
"1664382"	262.083788	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Na+HCOOH"	68.994688
"172336"	463.09724	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+2K-H"	76.91904
"610805"	656.18634	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+2K-H"	76.91904
"1098473"	270.00814	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2K-H"	76.91904
"156018"	232.052258	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"2M+2K"	77.926316
"594248"	328.596808	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"3M+2K"	77.926316
"1083252"	135.507708	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2K"	77.926316
"1114883"	272.022692	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2K+H"	78.933592
"1350170"	272.110307	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+DMSO+H"	79.021207
"1017606"	276.149476	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2ACN+H"	83.060376
"1529168"	277.143108	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+IsoProp+Na+H"	84.054008
"992333"	138.578376	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+2ACN+2H"	84.067652
"1587809"	278.057728	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+K+HCOOH"	84.968628
"1417967"	308.089238	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+H+CF3COOH"	115.000138
"1161263"	159.091651	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+3ACN+2H"	125.094202
"1711302"	325.115785	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+NH4+CF3COOH"	132.026685
"1648773"	330.07118	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+Na+CF3COOH"	136.98208
"1584420"	346.04512	"C14417"	"2-Anthramine;2-Aminoanthracene"	"C14H11N"	"193.0891"	"M+K+CF3COOH"	152.95602
"804943"	139.0269	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M"	0
"974503"	120.00851	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H2O-H"	-19.01839
"65987"	91.677324	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-3H"	-3.021828
"506276"	138.019624	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-3H"	-3.021828
"881161"	45.335024	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-3H"	-3.021828
"11413"	138.019624	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H"	-2.014552
"454385"	207.533074	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H"	-2.014552
"831700"	68.506174	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H"	-2.014552
"92779"	277.046524	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-H"	-1.007276
"531607"	416.073424	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-H"	-1.007276
"908316"	138.019624	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H"	-1.007276
"59407"	294.073071	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H+NH4"	16.019271
"498968"	433.099971	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H+NH4"	16.019271
"877865"	155.046171	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H+NH4"	16.019271
"45644"	299.028466	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H+Na"	20.974666
"486427"	438.055366	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H+Na"	20.974666
"863417"	160.001566	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H+Na"	20.974666
"1630478"	160.001566	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na-2H"	20.974666
"105912"	156.007963	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-H+Cl"	33.962126
"548387"	225.521413	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-H+Cl"	33.962126
"941051"	86.494513	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+Cl"	33.962126
"275355"	313.023202	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Cl"	34.969402
"672150"	452.050102	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+Cl"	34.969402
"1275808"	173.996302	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl"	34.969402
"26021"	315.002406	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M-2H+K"	36.948606
"465581"	454.029306	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M-2H+K"	36.948606
"834389"	175.975506	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-2H+K"	36.948606
"1558123"	175.975506	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K-2H"	36.948606
"944910"	184.025094	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+HCOOH"	44.998194
"361816"	323.052001	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+HCOOH-H"	44.998201
"353573"	337.067651	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Hac-H"	59.013851
"1496570"	198.040751	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Hac-H"	59.013851
"971046"	206.007051	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+NaCOOH"	66.980151
"123232"	173.996302	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2Cl"	69.938804
"557325"	243.509752	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2Cl"	69.938804
"1024665"	104.482852	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2Cl"	69.938804
"1245337"	217.945785	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Br"	78.918885
"1307420"	220.001772	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl+HCOOH"	80.974872
"1333675"	241.983729	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl+NaCOOH"	102.956829
"925832"	252.012486	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M-H+CF3COOH"	112.985586
"1297797"	287.989164	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Cl+CF3COOH"	148.962264
"1377051"	104.014224	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H-2H2O"	-35.012676
"1391999"	122.0242	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H-H2O"	-17.0027
"289862"	279.061076	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H"	1.007276
"683013"	418.087976	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H"	1.007276
"1358998"	140.034176	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H"	1.007276
"134439"	140.034176	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2H"	2.014552
"569990"	209.547626	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2H"	2.014552
"1038789"	70.520726	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2H"	2.014552
"217636"	93.691876	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+3H"	3.021828
"659812"	140.034176	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+3H"	3.021828
"1177145"	47.349576	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+3H"	3.021828
"439454"	296.087623	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+NH4"	18.033823
"801312"	435.114523	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+NH4"	18.033823
"1693734"	157.060723	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+NH4"	18.033823
"345256"	148.5474495	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H+NH4"	19.041099
"736988"	218.0608995	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H+NH4"	19.041099
"1489347"	79.0339995	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+NH4"	19.041099
"405841"	301.043018	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Na"	22.989218
"766834"	440.069918	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+Na"	22.989218
"1613840"	162.016118	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na"	22.989218
"323875"	151.025147	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H+Na"	23.996494
"715204"	220.538597	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H+Na"	23.996494
"1472306"	81.511697	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+Na"	23.996494
"1066644"	54.67689	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2H+Na"	25.00377
"1271604"	172.060386	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+CH3OH+H"	33.033486
"392366"	317.016958	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+K"	38.963158
"751171"	456.043858	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+K"	38.963158
"1554696"	177.990058	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K"	38.963158
"313530"	159.012117	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+H+K"	39.970434
"706521"	228.525567	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+H+K"	39.970434
"1458843"	89.498667	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+K"	39.970434
"250370"	320.087626	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+ACN+H"	42.033826
"1223806"	181.060726	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+ACN+H"	42.033826
"1208906"	91.034001	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+ACN+2H"	43.041102
"203478"	323.02496	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2Na-H"	44.97116
"643161"	462.05186	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2Na-H"	44.97116
"1145936"	183.99806	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2Na-H"	44.97116
"188135"	162.016118	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2Na"	45.978436
"628385"	231.529568	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2Na"	45.978436
"1129862"	92.502668	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2Na"	45.978436
"1412901"	62.004204	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+2Na"	46.985712
"1445464"	186.039646	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+HCOOH"	47.012746
"235447"	167.04914	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+3H2O+2H"	56.04448
"1523874"	200.09169	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+IsoProp+H"	61.06479
"423801"	170.003088	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+Na+K"	61.952376
"783696"	239.516538	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+Na+K"	61.952376
"1677840"	100.489638	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na+K"	61.952376
"265088"	342.069568	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+ACN+Na"	64.015768
"1237432"	203.042668	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+ACN+Na"	64.015768
"1724145"	203.066193	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+NH4+HCOOH"	64.039293
"1190595"	69.331518	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+3Na"	68.967654
"1661581"	208.021588	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na+HCOOH"	68.994688
"169902"	354.97284	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2K-H"	76.91904
"610191"	493.99974	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2K-H"	76.91904
"1097255"	215.94594	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2K-H"	76.91904
"154072"	177.990058	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"2M+2K"	77.926316
"593268"	247.503508	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"3M+2K"	77.926316
"1080330"	108.476608	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2K"	77.926316
"1113537"	217.960492	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2K+H"	78.933592
"1347736"	218.048107	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+DMSO+H"	79.021207
"1019903"	222.087276	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2ACN+H"	83.060376
"1529278"	223.080908	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+IsoProp+Na+H"	84.054008
"993171"	111.547276	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+2ACN+2H"	84.067652
"1589134"	223.995528	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K+HCOOH"	84.968628
"1418077"	254.027038	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+H+CF3COOH"	115.000138
"1160405"	132.060551	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+3ACN+2H"	125.094202
"1712468"	271.053585	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+NH4+CF3COOH"	132.026685
"1649247"	276.00898	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+Na+CF3COOH"	136.98208
"1584530"	291.98292	"C14418"	"3-Nitrophenol;m-Hydroxynitrobenzene"	"C6H5NO3"	"139.0269"	"M+K+CF3COOH"	152.95602
"808334"	160.9799	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M"	0
"978586"	141.96151	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-H2O-H"	-19.01839
"67920"	106.312657333333	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M-3H"	-3.021828
"508575"	159.972624	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M-3H"	-3.021828
"880909"	52.6526906666667	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-3H"	-3.021828
"6049"	159.972624	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H"	-2.014552
"455100"	240.462574	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H"	-2.014552
"832167"	79.482674	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H"	-2.014552
"93613"	320.952524	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M-H"	-1.007276
"530626"	481.932424	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M-H"	-1.007276
"908423"	159.972624	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-H"	-1.007276
"57330"	337.979071	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H+NH4"	16.019271
"497985"	498.958971	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H+NH4"	16.019271
"876881"	176.999171	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H+NH4"	16.019271
"43687"	342.934466	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H+Na"	20.974666
"478873"	503.914366	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H+Na"	20.974666
"861783"	181.954566	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H+Na"	20.974666
"1631681"	181.954566	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na-2H"	20.974666
"109183"	177.960963	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M-H+Cl"	33.962126
"548497"	258.450913	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M-H+Cl"	33.962126
"941648"	97.471013	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+Cl"	33.962126
"275465"	356.929202	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Cl"	34.969402
"672260"	517.909102	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+Cl"	34.969402
"1279198"	195.949302	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl"	34.969402
"22851"	358.908406	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H+K"	36.948606
"466784"	519.888306	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H+K"	36.948606
"835108"	197.928506	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H+K"	36.948606
"1559326"	197.928506	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+K-2H"	36.948606
"946113"	205.978094	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+HCOOH"	44.998194
"362258"	366.958001	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+HCOOH-H"	44.998201
"353683"	380.973651	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Hac-H"	59.013851
"1495223"	219.993751	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Hac-H"	59.013851
"971521"	227.960051	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+NaCOOH"	66.980151
"122249"	195.949302	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2Cl"	69.938804
"557435"	276.439252	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2Cl"	69.938804
"1024775"	115.459352	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2Cl"	69.938804
"1245447"	239.898785	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Br"	78.918885
"1305462"	241.954772	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl+HCOOH"	80.974872
"1332693"	263.936729	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl+NaCOOH"	102.956829
"925819"	273.965486	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+CF3COOH"	112.985586
"1299001"	309.942164	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl+CF3COOH"	148.962264
"1377162"	125.967224	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H-2H2O"	-35.012676
"1396849"	143.9772	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H-H2O"	-17.0027
"295077"	322.967076	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H"	1.007276
"688956"	483.946976	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H"	1.007276
"1359473"	161.987176	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H"	1.007276
"133820"	161.987176	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2H"	2.014552
"576662"	242.477126	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2H"	2.014552
"1044367"	81.497226	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2H"	2.014552
"214457"	108.327209333333	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+3H"	3.021828
"659259"	161.987176	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+3H"	3.021828
"1176405"	54.6672426666667	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+3H"	3.021828
"439764"	339.993623	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+NH4"	18.033823
"798609"	500.973523	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+NH4"	18.033823
"1689471"	179.013723	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+NH4"	18.033823
"342855"	170.5004495	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H+NH4"	19.041099
"737463"	250.9903995	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H+NH4"	19.041099
"1486178"	90.0104995	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+NH4"	19.041099
"404857"	344.949018	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Na"	22.989218
"766944"	505.928918	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+Na"	22.989218
"1611764"	183.969118	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na"	22.989218
"323985"	172.978147	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H+Na"	23.996494
"714218"	253.468097	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H+Na"	23.996494
"1473508"	92.488197	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+Na"	23.996494
"1067119"	61.9945566666667	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2H+Na"	25.00377
"1271350"	194.013386	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+CH3OH+H"	33.033486
"392111"	360.922958	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+K"	38.963158
"749460"	521.902858	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+K"	38.963158
"1555370"	199.943058	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+K"	38.963158
"313074"	180.965117	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H+K"	39.970434
"705860"	261.455067	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H+K"	39.970434
"1457858"	100.475167	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+K"	39.970434
"246096"	363.993626	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+ACN+H"	42.033826
"1224277"	203.013726	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+ACN+H"	42.033826
"1207431"	102.010501	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+ACN+2H"	43.041102
"203837"	366.93096	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2Na-H"	44.97116
"643637"	527.91086	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2Na-H"	44.97116
"1146902"	205.95106	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2Na-H"	44.97116
"188400"	183.969118	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2Na"	45.978436
"627680"	264.459068	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2Na"	45.978436
"1129609"	103.479168	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2Na"	45.978436
"1413788"	69.3218706666667	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+2Na"	46.985712
"1445481"	207.992646	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+HCOOH"	47.012746
"235194"	189.00214	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+3H2O+2H"	56.04448
"1523740"	222.04469	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+IsoProp+H"	61.06479
"423876"	191.956088	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Na+K"	61.952376
"785489"	272.446038	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+Na+K"	61.952376
"1680749"	111.466138	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na+K"	61.952376
"265565"	385.975568	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+ACN+Na"	64.015768
"1239852"	224.995668	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+ACN+Na"	64.015768
"1727539"	225.019193	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+NH4+HCOOH"	64.039293
"1191800"	76.6491846666667	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+3Na"	68.967654
"1662423"	229.974588	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na+HCOOH"	68.994688
"170376"	398.87884	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2K-H"	76.91904
"610668"	559.85874	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2K-H"	76.91904
"1096638"	237.89894	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2K-H"	76.91904
"153817"	199.943058	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2K"	77.926316
"592285"	280.433008	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2K"	77.926316
"1081169"	119.453108	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2K"	77.926316
"1114738"	239.913492	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2K+H"	78.933592
"1349667"	240.001107	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+DMSO+H"	79.021207
"1018928"	244.040276	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2ACN+H"	83.060376
"1535951"	245.033908	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+IsoProp+Na+H"	84.054008
"1000211"	122.523776	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+2ACN+2H"	84.067652
"1590340"	245.948528	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+K+HCOOH"	84.968628
"1429002"	275.980038	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+CF3COOH"	115.000138
"1161607"	143.037051	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+3ACN+2H"	125.094202
"1711158"	293.006585	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+NH4+CF3COOH"	132.026685
"1648992"	297.96198	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na+CF3COOH"	136.98208
"1584640"	313.93592	"C14419"	"24-Dichloroaniline;24-DCA"	"C6H5Cl2N"	"160.9799"	"M+K+CF3COOH"	152.95602
"808443"	278.02	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M"	0
"974685"	259.00161	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-H2O-H"	-19.01839
"64384"	184.339390666667	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M-3H"	-3.021828
"504672"	277.012724	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M-3H"	-3.021828
"884299"	91.6660573333333	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-3H"	-3.021828
"7252"	277.012724	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M-2H"	-2.014552
"455638"	416.022724	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M-2H"	-2.014552
"830821"	138.002724	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-2H"	-2.014552
"92265"	555.032724	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M-H"	-1.007276
"531466"	833.052724	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M-H"	-1.007276
"904160"	277.012724	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-H"	-1.007276
"52335"	572.059271	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M-2H+NH4"	16.019271
"494812"	850.079271	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M-2H+NH4"	16.019271
"875897"	294.039271	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-2H+NH4"	16.019271
"35049"	577.014666	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M-2H+Na"	20.974666
"478983"	855.034666	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M-2H+Na"	20.974666
"857881"	298.994666	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-2H+Na"	20.974666
"1630699"	298.994666	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Na-2H"	20.974666
"107955"	295.001063	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M-H+Cl"	33.962126
"548609"	434.011063	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M-H+Cl"	33.962126
"941517"	155.991063	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-H+Cl"	33.962126
"275575"	591.009402	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+Cl"	34.969402
"672370"	869.029402	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+Cl"	34.969402
"1274934"	312.989402	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Cl"	34.969402
"28428"	592.988606	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M-2H+K"	36.948606
"466894"	871.008606	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M-2H+K"	36.948606
"834854"	314.968606	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-2H+K"	36.948606
"1561623"	314.968606	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+K-2H"	36.948606
"945130"	323.018194	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-H+HCOOH"	44.998194
"361759"	601.038201	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+HCOOH-H"	44.998201
"353793"	615.053851	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+Hac-H"	59.013851
"1496062"	337.033851	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Hac-H"	59.013851
"972360"	345.000151	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-H+NaCOOH"	66.980151
"120170"	312.989402	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+2Cl"	69.938804
"555358"	451.999402	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+2Cl"	69.938804
"1025250"	173.979402	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2Cl"	69.938804
"1244829"	356.938885	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Br"	78.918885
"1305451"	358.994872	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Cl+HCOOH"	80.974872
"1333168"	380.976829	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Cl+NaCOOH"	102.956829
"925686"	391.005586	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M-H+CF3COOH"	112.985586
"1296924"	426.982264	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Cl+CF3COOH"	148.962264
"1376179"	243.007324	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H-2H2O"	-35.012676
"1397325"	261.0173	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H-H2O"	-17.0027
"295187"	557.047276	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+H"	1.007276
"685786"	835.067276	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+H"	1.007276
"1358854"	279.027276	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H"	1.007276
"129554"	279.027276	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+2H"	2.014552
"577137"	418.037276	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+2H"	2.014552
"1044113"	140.017276	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2H"	2.014552
"213110"	186.353942666667	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+3H"	3.021828
"659900"	279.027276	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+3H"	3.021828
"1175542"	93.6806093333333	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+3H"	3.021828
"439062"	574.073823	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+NH4"	18.033823
"794344"	852.093823	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+NH4"	18.033823
"1688487"	296.053823	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+NH4"	18.033823
"344058"	287.5405495	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+H+NH4"	19.041099
"737088"	426.5505495	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+H+NH4"	19.041099
"1488110"	148.5305495	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H+NH4"	19.041099
"401688"	579.029218	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+Na"	22.989218
"764868"	857.049218	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+Na"	22.989218
"1611874"	301.009218	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Na"	22.989218
"322638"	290.018247	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+H+Na"	23.996494
"714328"	429.028247	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+H+Na"	23.996494
"1473983"	151.008247	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H+Na"	23.996494
"1067957"	101.007923333333	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2H+Na"	25.00377
"1272189"	311.053486	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+CH3OH+H"	33.033486
"392812"	595.003158	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+K"	38.963158
"748840"	873.023158	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+K"	38.963158
"1554545"	316.983158	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+K"	38.963158
"312819"	298.005217	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+H+K"	39.970434
"706700"	437.015217	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+H+K"	39.970434
"1459427"	158.995217	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H+K"	39.970434
"245477"	598.073826	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+ACN+H"	42.033826
"1224751"	320.053826	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+ACN+H"	42.033826
"1207541"	160.530551	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+ACN+2H"	43.041102
"204224"	601.01116	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+2Na-H"	44.97116
"644117"	879.03116	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+2Na-H"	44.97116
"1147022"	322.99116	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2Na-H"	44.97116
"188547"	301.009218	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+2Na"	45.978436
"626694"	440.019218	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+2Na"	45.978436
"1131143"	161.999218	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2Na"	45.978436
"1413816"	108.335237333333	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H+2Na"	46.985712
"1444877"	325.032746	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H+HCOOH"	47.012746
"234936"	306.04224	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+3H2O+2H"	56.04448
"1523606"	339.08479	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+IsoProp+H"	61.06479
"423863"	308.996188	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+Na+K"	61.952376
"785427"	448.006188	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+Na+K"	61.952376
"1680498"	169.986188	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Na+K"	61.952376
"267056"	620.055768	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+ACN+Na"	64.015768
"1239110"	342.035768	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+ACN+Na"	64.015768
"1728140"	342.059293	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+NH4+HCOOH"	64.039293
"1193004"	115.662551333333	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+3Na"	68.967654
"1664356"	347.014688	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Na+HCOOH"	68.994688
"170490"	632.95904	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+2K-H"	76.91904
"609685"	910.97904	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+2K-H"	76.91904
"1097114"	354.93904	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2K-H"	76.91904
"155870"	316.983158	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"2M+2K"	77.926316
"594582"	455.993158	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"3M+2K"	77.926316
"1082735"	177.973158	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2K"	77.926316
"1114969"	356.953592	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2K+H"	78.933592
"1350141"	357.041207	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+DMSO+H"	79.021207
"1019644"	361.080376	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2ACN+H"	83.060376
"1536790"	362.074008	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+IsoProp+Na+H"	84.054008
"999228"	181.043826	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+2ACN+2H"	84.067652
"1590450"	362.988628	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+K+HCOOH"	84.968628
"1427047"	393.020138	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+H+CF3COOH"	115.000138
"1161718"	201.557101	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+3ACN+2H"	125.094202
"1712364"	410.046685	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+NH4+CF3COOH"	132.026685
"1649590"	415.00208	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+Na+CF3COOH"	136.98208
"1584750"	430.97602	"C14420"	"Fenthion;MPP;4-Methylmercapto-3-methylphenyl dimethyl thiophosphate"	"C10H15O3PS2"	"278.02"	"M+K+CF3COOH"	152.95602
"805273"	247.0633	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M"	0
"974752"	228.04491	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H2O-H"	-19.01839
"64858"	163.701590666667	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-3H"	-3.021828
"505146"	246.056024	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-3H"	-3.021828
"882587"	81.3471573333333	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-3H"	-3.021828
"4082"	246.056024	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H"	-2.014552
"453858"	369.587674	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H"	-2.014552
"825825"	122.524374	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H"	-2.014552
"89460"	493.119324	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-H"	-1.007276
"529753"	740.182624	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-H"	-1.007276
"904270"	246.056024	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H"	-1.007276
"50988"	510.145871	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+NH4"	16.019271
"490549"	757.209171	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+NH4"	16.019271
"873822"	263.082571	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+NH4"	16.019271
"34065"	515.101266	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+Na"	20.974666
"472533"	762.164566	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+Na"	20.974666
"854711"	268.037966	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+Na"	20.974666
"1630807"	268.037966	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na-2H"	20.974666
"108063"	264.044363	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-H+Cl"	33.962126
"546894"	387.576013	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-H+Cl"	33.962126
"941140"	140.512713	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+Cl"	33.962126
"274592"	529.096002	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Cl"	34.969402
"671387"	776.159302	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Cl"	34.969402
"1275044"	282.032702	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl"	34.969402
"28174"	531.075206	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+K"	36.948606
"467004"	778.138506	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+K"	36.948606
"834963"	284.011906	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+K"	36.948606
"1562826"	284.011906	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K-2H"	36.948606
"944147"	292.061494	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+HCOOH"	44.998194
"361747"	539.124801	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+HCOOH-H"	44.998201
"353903"	553.140451	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Hac-H"	59.013851
"1497629"	306.077151	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Hac-H"	59.013851
"969187"	314.043451	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+NaCOOH"	66.980151
"120280"	282.032702	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Cl"	69.938804
"557655"	405.564352	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Cl"	69.938804
"1026454"	158.501052	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Cl"	69.938804
"1247126"	325.982185	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Br"	78.918885
"1306290"	328.038172	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+HCOOH"	80.974872
"1333641"	350.020129	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+NaCOOH"	102.956829
"925796"	360.048886	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+CF3COOH"	112.985586
"1299220"	396.025564	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+CF3COOH"	148.962264
"1376288"	212.050624	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H-2H2O"	-35.012676
"1395976"	230.0606	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H-H2O"	-17.0027
"295661"	495.133876	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H"	1.007276
"683708"	742.197176	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H"	1.007276
"1356776"	248.070576	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H"	1.007276
"127841"	248.070576	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2H"	2.014552
"575060"	371.602226	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2H"	2.014552
"1041307"	124.538926	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2H"	2.014552
"212486"	165.716142666667	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+3H"	3.021828
"658867"	248.070576	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+3H"	3.021828
"1176991"	83.3617093333333	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3H"	3.021828
"438566"	512.160423	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+NH4"	18.033823
"795547"	759.223723	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+NH4"	18.033823
"1689690"	265.097123	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4"	18.033823
"344168"	256.5838495	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+NH4"	19.041099
"736954"	380.1154995	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+NH4"	19.041099
"1487491"	133.0521995	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+NH4"	19.041099
"400705"	517.115818	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Na"	22.989218
"763884"	764.179118	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Na"	22.989218
"1610890"	270.052518	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na"	22.989218
"322019"	259.061547	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+Na"	23.996494
"714438"	382.593197	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+Na"	23.996494
"1473000"	135.529897	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+Na"	23.996494
"1065881"	90.6890233333333	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2H+Na"	25.00377
"1267562"	280.096786	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+CH3OH+H"	33.033486
"387231"	533.089758	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+K"	38.963158
"750044"	780.153058	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+K"	38.963158
"1548095"	286.026458	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K"	38.963158
"310740"	267.048517	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+K"	39.970434
"704255"	390.580167	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+K"	39.970434
"1458808"	143.516867	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+K"	39.970434
"246680"	536.160426	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+ACN+H"	42.033826
"1223036"	289.097126	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+H"	42.033826
"1207649"	145.052201	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+2H"	43.041102
"203898"	539.09776	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Na-H"	44.97116
"644024"	786.16106	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Na-H"	44.97116
"1146821"	292.03446	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Na-H"	44.97116
"188390"	270.052518	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Na"	45.978436
"626075"	393.584168	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Na"	45.978436
"1131175"	146.520868	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Na"	45.978436
"1413720"	98.0163373333333	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+2Na"	46.985712
"1444621"	294.076046	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+HCOOH"	47.012746
"234682"	275.08554	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+3H2O+2H"	56.04448
"1524076"	308.12809	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+IsoProp+H"	61.06479
"423524"	278.039488	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Na+K"	61.952376
"785128"	401.571138	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Na+K"	61.952376
"1680364"	154.507838	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+K"	61.952376
"264691"	558.142368	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+ACN+Na"	64.015768
"1235211"	311.079068	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+Na"	64.015768
"1727883"	311.102593	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4+HCOOH"	64.039293
"1193720"	105.343651333333	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3Na"	68.967654
"1665072"	316.057988	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+HCOOH"	68.994688
"170232"	571.04564	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2K-H"	76.91904
"610157"	818.10894	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2K-H"	76.91904
"1098435"	323.98234	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K-H"	76.91904
"155735"	286.026458	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2K"	77.926316
"594572"	409.558108	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2K"	77.926316
"1081023"	162.494808	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K"	77.926316
"1114470"	325.996892	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K+H"	78.933592
"1349522"	326.084507	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+DMSO+H"	79.021207
"1019875"	330.123676	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2ACN+H"	83.060376
"1535078"	331.117308	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+IsoProp+Na+H"	84.054008
"1000431"	165.565476	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2ACN+2H"	84.067652
"1590560"	332.031928	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K+HCOOH"	84.968628
"1426064"	362.063438	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+CF3COOH"	115.000138
"1162315"	186.078751	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3ACN+2H"	125.094202
"1712352"	379.089985	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4+CF3COOH"	132.026685
"1649741"	384.04538	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+CF3COOH"	136.98208
"1584860"	400.01932	"C14421"	"1-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K+CF3COOH"	152.95602
"805383"	102.0793	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M"	0
"976728"	83.06091	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-H2O-H"	-19.01839
"65698"	67.0455906666667	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M-3H"	-3.021828
"505622"	101.072024	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M-3H"	-3.021828
"882333"	33.0191573333333	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-3H"	-3.021828
"4192"	101.072024	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M-2H"	-2.014552
"452872"	152.111674	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M-2H"	-2.014552
"827024"	50.032374	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-2H"	-2.014552
"91027"	203.151324	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M-H"	-1.007276
"529863"	305.230624	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M-H"	-1.007276
"904383"	101.072024	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-H"	-1.007276
"57660"	220.177871	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M-2H+NH4"	16.019271
"490659"	322.257171	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M-2H+NH4"	16.019271
"873932"	118.098571	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-2H+NH4"	16.019271
"35632"	225.133266	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M-2H+Na"	20.974666
"473126"	327.212566	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M-2H+Na"	20.974666
"855914"	123.053966	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-2H+Na"	20.974666
"1632009"	123.053966	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Na-2H"	20.974666
"105257"	119.060363	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M-H+Cl"	33.962126
"547004"	170.100013	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M-H+Cl"	33.962126
"941977"	68.020713	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-H+Cl"	33.962126
"272515"	239.128002	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+Cl"	34.969402
"671497"	341.207302	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+Cl"	34.969402
"1277341"	137.048702	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Cl"	34.969402
"28648"	241.107206	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M-2H+K"	36.948606
"463834"	343.186506	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M-2H+K"	36.948606
"835073"	139.027906	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-2H+K"	36.948606
"1562936"	139.027906	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+K-2H"	36.948606
"943890"	147.077494	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-H+HCOOH"	44.998194
"362223"	249.156801	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+HCOOH-H"	44.998201
"354013"	263.172451	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+Hac-H"	59.013851
"1497739"	161.093151	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Hac-H"	59.013851
"969297"	169.059451	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-H+NaCOOH"	66.980151
"119297"	137.048702	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+2Cl"	69.938804
"557765"	188.088352	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+2Cl"	69.938804
"1026564"	86.009052	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2Cl"	69.938804
"1247236"	180.998185	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Br"	78.918885
"1304697"	183.054172	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Cl+HCOOH"	80.974872
"1333019"	205.036129	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Cl+NaCOOH"	102.956829
"919343"	215.064886	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M-H+CF3COOH"	112.985586
"1299330"	251.041564	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Cl+CF3COOH"	148.962264
"1370929"	67.066624	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H-2H2O"	-35.012676
"1394990"	85.0766	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H-H2O"	-17.0027
"290302"	205.165876	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+H"	1.007276
"677257"	307.245176	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+H"	1.007276
"1352508"	103.086576	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H"	1.007276
"129768"	103.086576	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+2H"	2.014552
"567510"	154.126226	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+2H"	2.014552
"1040317"	52.046926	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2H"	2.014552
"206394"	69.0601426666667	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+3H"	3.021828
"658362"	103.086576	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+3H"	3.021828
"1177952"	35.0337093333333	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+3H"	3.021828
"439283"	222.192423	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+NH4"	18.033823
"798938"	324.271723	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+NH4"	18.033823
"1689801"	120.113123	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+NH4"	18.033823
"342454"	111.5998495	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+H+NH4"	19.041099
"732688"	162.6394995	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+H+NH4"	19.041099
"1487601"	60.5601995	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H+NH4"	19.041099
"401908"	227.147818	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+Na"	22.989218
"762901"	329.227118	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+Na"	22.989218
"1612093"	125.068518	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Na"	22.989218
"324315"	114.077547	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+H+Na"	23.996494
"714548"	165.117197	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+H+Na"	23.996494
"1473474"	63.037897	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H+Na"	23.996494
"1064531"	42.3610233333333	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2H+Na"	25.00377
"1269857"	135.112786	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+CH3OH+H"	33.033486
"390984"	243.121758	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+K"	38.963158
"750154"	345.201058	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+K"	38.963158
"1551485"	141.042458	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+K"	38.963158
"308659"	122.064517	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+H+K"	39.970434
"705459"	173.104167	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+H+K"	39.970434
"1460703"	71.024867	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H+K"	39.970434
"246790"	246.192426	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+ACN+H"	42.033826
"1222051"	144.113126	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+ACN+H"	42.033826
"1208247"	72.560201	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+ACN+2H"	43.041102
"204145"	249.12976	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+2Na-H"	44.97116
"643735"	351.20906	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+2Na-H"	44.97116
"1146265"	147.05046	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2Na-H"	44.97116
"188216"	125.068518	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+2Na"	45.978436
"626065"	176.108168	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+2Na"	45.978436
"1131164"	74.028868	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2Na"	45.978436
"1413344"	49.6883373333333	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H+2Na"	46.985712
"1444978"	149.092046	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H+HCOOH"	47.012746
"235157"	130.10154	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+3H2O+2H"	56.04448
"1523665"	163.14409	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+IsoProp+H"	61.06479
"424077"	133.055488	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+Na+K"	61.952376
"784506"	184.095138	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+Na+K"	61.952376
"1680231"	82.015838	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Na+K"	61.952376
"266263"	268.174368	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+ACN+Na"	64.015768
"1239330"	166.095068	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+ACN+Na"	64.015768
"1728039"	166.118593	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+NH4+HCOOH"	64.039293
"1192495"	57.0156513333333	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+3Na"	68.967654
"1663117"	171.073988	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Na+HCOOH"	68.994688
"170343"	281.07764	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+2K-H"	76.91904
"610633"	383.15694	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+2K-H"	76.91904
"1097212"	178.99834	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2K-H"	76.91904
"154512"	141.042458	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"2M+2K"	77.926316
"595169"	192.082108	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"3M+2K"	77.926316
"1082229"	90.002808	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2K"	77.926316
"1113613"	181.012892	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2K+H"	78.933592
"1348904"	181.100507	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+DMSO+H"	79.021207
"1019985"	185.139676	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2ACN+H"	83.060376
"1536281"	186.133308	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+IsoProp+Na+H"	84.054008
"1000541"	93.073476	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+2ACN+2H"	84.067652
"1590670"	187.047928	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+K+HCOOH"	84.968628
"1426174"	217.079438	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+H+CF3COOH"	115.000138
"1162185"	113.586751	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+3ACN+2H"	125.094202
"1712342"	234.105985	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+NH4+CF3COOH"	132.026685
"1649325"	239.06138	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+Na+CF3COOH"	136.98208
"1584970"	255.03532	"C14422"	"N-Nitrosodiethylamine;NDEA;Diethylnitrosamine"	"C4H10N2O"	"102.0793"	"M+K+CF3COOH"	152.95602
"805493"	292.0484	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M"	0
"975744"	273.03001	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H2O-H"	-19.01839
"63620"	193.691657333333	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-3H"	-3.021828
"504640"	291.041124	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-3H"	-3.021828
"881348"	96.3421906666667	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-3H"	-3.021828
"5395"	291.041124	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H"	-2.014552
"452982"	437.065324	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H"	-2.014552
"824947"	145.016924	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H"	-2.014552
"90408"	583.089524	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-H"	-1.007276
"528151"	875.137924	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-H"	-1.007276
"905583"	291.041124	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H"	-1.007276
"52301"	600.116071	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+NH4"	16.019271
"495140"	892.164471	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+NH4"	16.019271
"870756"	308.067671	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+NH4"	16.019271
"36468"	605.071466	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+Na"	20.974666
"473601"	897.119866	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+Na"	20.974666
"854931"	313.023066	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+Na"	20.974666
"1633212"	313.023066	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na-2H"	20.974666
"103180"	309.029463	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-H+Cl"	33.962126
"540553"	455.053663	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-H+Cl"	33.962126
"939535"	163.005263	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+Cl"	33.962126
"272625"	619.066202	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Cl"	34.969402
"671607"	911.114602	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Cl"	34.969402
"1276358"	327.017802	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl"	34.969402
"28398"	621.045406	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+K"	36.948606
"463945"	913.093806	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+K"	36.948606
"838465"	328.997006	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+K"	36.948606
"1563047"	328.997006	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K-2H"	36.948606
"945826"	337.046594	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+HCOOH"	44.998194
"362577"	629.095001	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+HCOOH-H"	44.998201
"350476"	643.110651	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Hac-H"	59.013851
"1496391"	351.062251	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Hac-H"	59.013851
"970500"	359.028551	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+NaCOOH"	66.980151
"119407"	327.017802	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Cl"	69.938804
"557875"	473.042002	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Cl"	69.938804
"1024485"	180.993602	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Cl"	69.938804
"1242478"	370.967285	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Br"	78.918885
"1305899"	373.023272	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+HCOOH"	80.974872
"1331671"	395.005229	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+NaCOOH"	102.956829
"917267"	405.033986	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+CF3COOH"	112.985586
"1297254"	441.010664	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+CF3COOH"	148.962264
"1370675"	257.035724	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H-2H2O"	-35.012676
"1395100"	275.0457	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H-H2O"	-17.0027
"290412"	585.104076	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H"	1.007276
"677731"	877.152476	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H"	1.007276
"1352254"	293.055676	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H"	1.007276
"129878"	293.055676	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2H"	2.014552
"567984"	439.079876	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2H"	2.014552
"1038241"	147.031476	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2H"	2.014552
"205776"	195.706209333333	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+3H"	3.021828
"658108"	293.055676	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+3H"	3.021828
"1175503"	98.3567426666667	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3H"	3.021828
"436589"	602.130623	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+NH4"	18.033823
"792477"	894.179023	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+NH4"	18.033823
"1691004"	310.082223	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4"	18.033823
"342564"	301.5689495	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+NH4"	19.041099
"733891"	447.5931495	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+NH4"	19.041099
"1487711"	155.5447495	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+NH4"	19.041099
"403111"	607.086018	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Na"	22.989218
"764104"	899.134418	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Na"	22.989218
"1613296"	315.037618	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na"	22.989218
"325518"	304.046647	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+Na"	23.996494
"716845"	450.070847	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+Na"	23.996494
"1475041"	158.022447	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+Na"	23.996494
"1066097"	105.684056666667	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2H+Na"	25.00377
"1270697"	325.081886	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+CH3OH+H"	33.033486
"391458"	623.059958	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+K"	38.963158
"749534"	915.108358	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+K"	38.963158
"1551590"	331.011558	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K"	38.963158
"307672"	312.033617	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+K"	39.970434
"702290"	458.057817	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+K"	39.970434
"1457199"	166.009417	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+K"	39.970434
"248359"	626.130626	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+ACN+H"	42.033826
"1218515"	334.082226	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+H"	42.033826
"1207870"	167.544751	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+2H"	43.041102
"203430"	629.06796	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Na-H"	44.97116
"643840"	921.11636	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Na-H"	44.97116
"1145147"	337.01956	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Na-H"	44.97116
"185886"	315.037618	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Na"	45.978436
"625563"	461.061818	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Na"	45.978436
"1125786"	169.013418	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Na"	45.978436
"1408218"	113.011370666667	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+2Na"	46.985712
"1442160"	339.061146	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+HCOOH"	47.012746
"231853"	320.07064	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+3H2O+2H"	56.04448
"1518092"	353.11319	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+H"	61.06479
"423249"	323.024588	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Na+K"	61.952376
"785465"	469.048788	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Na+K"	61.952376
"1680463"	177.000388	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+K"	61.952376
"266007"	648.112568	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+ACN+Na"	64.015768
"1238711"	356.064168	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+Na"	64.015768
"1727984"	356.087693	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4+HCOOH"	64.039293
"1192972"	120.338684666667	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3Na"	68.967654
"1663350"	361.043088	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+HCOOH"	68.994688
"169359"	661.01584	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2K-H"	76.91904
"611106"	953.06424	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2K-H"	76.91904
"1098413"	368.96744	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K-H"	76.91904
"155712"	331.011558	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2K"	77.926316
"596128"	477.035758	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2K"	77.926316
"1083795"	184.987358	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K"	77.926316
"1114942"	370.981992	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K+H"	78.933592
"1349743"	371.069607	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+DMSO+H"	79.021207
"1020460"	375.108776	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2ACN+H"	83.060376
"1536027"	376.102408	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+Na+H"	84.054008
"1001744"	188.058026	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2ACN+2H"	84.067652
"1590780"	377.017028	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K+HCOOH"	84.968628
"1427377"	407.048538	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+CF3COOH"	115.000138
"1162659"	208.571301	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3ACN+2H"	125.094202
"1712573"	424.075085	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4+CF3COOH"	132.026685
"1649760"	429.03048	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+CF3COOH"	136.98208
"1585080"	445.00442	"C14423"	"18-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K+CF3COOH"	152.95602
"805603"	292.0484	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M"	0
"975855"	273.03001	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H2O-H"	-19.01839
"65191"	193.691657333333	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-3H"	-3.021828
"505844"	291.041124	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-3H"	-3.021828
"883646"	96.3421906666667	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-3H"	-3.021828
"6598"	291.041124	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H"	-2.014552
"451628"	437.065324	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H"	-2.014552
"829427"	145.016924	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H"	-2.014552
"88328"	583.089524	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-H"	-1.007276
"528988"	875.137924	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-H"	-1.007276
"905693"	291.041124	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H"	-1.007276
"56784"	600.116071	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+NH4"	16.019271
"496343"	892.164471	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+NH4"	16.019271
"873051"	308.067671	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+NH4"	16.019271
"37305"	605.071466	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+Na"	20.974666
"475771"	897.119866	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+Na"	20.974666
"856134"	313.023066	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+Na"	20.974666
"1633322"	313.023066	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na-2H"	20.974666
"103290"	309.029463	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-H+Cl"	33.962126
"542849"	455.053663	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-H+Cl"	33.962126
"939644"	163.005263	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+Cl"	33.962126
"272735"	619.066202	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Cl"	34.969402
"672810"	911.114602	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Cl"	34.969402
"1276103"	327.017802	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl"	34.969402
"27777"	621.045406	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+K"	36.948606
"464056"	913.093806	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+K"	36.948606
"842950"	328.997006	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+K"	36.948606
"1563157"	328.997006	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K-2H"	36.948606
"948853"	337.046594	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+HCOOH"	44.998194
"368160"	629.095001	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+HCOOH-H"	44.998201
"351314"	643.110651	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Hac-H"	59.013851
"1496138"	351.062251	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Hac-H"	59.013851
"968423"	359.028551	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+NaCOOH"	66.980151
"124624"	327.017802	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Cl"	69.938804
"557985"	473.042002	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Cl"	69.938804
"1026416"	180.993602	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Cl"	69.938804
"1242227"	370.967285	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Br"	78.918885
"1305524"	373.023272	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+HCOOH"	80.974872
"1332510"	395.005229	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+NaCOOH"	102.956829
"918470"	405.033986	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+CF3COOH"	112.985586
"1298457"	441.010664	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+CF3COOH"	148.962264
"1373701"	257.035724	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H-2H2O"	-35.012676
"1395210"	275.0457	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H-H2O"	-17.0027
"290522"	585.104076	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H"	1.007276
"678569"	877.152476	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H"	1.007276
"1353458"	293.055676	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H"	1.007276
"131082"	293.055676	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2H"	2.014552
"568095"	439.079876	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2H"	2.014552
"1038351"	147.031476	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2H"	2.014552
"207344"	195.706209333333	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+3H"	3.021828
"653476"	293.055676	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+3H"	3.021828
"1171600"	98.3567426666667	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3H"	3.021828
"431593"	602.130623	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+NH4"	18.033823
"791492"	894.179023	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+NH4"	18.033823
"1684545"	310.082223	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4"	18.033823
"341581"	301.5689495	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+NH4"	19.041099
"732907"	447.5931495	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+NH4"	19.041099
"1486727"	155.5447495	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+NH4"	19.041099
"404315"	607.086018	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Na"	22.989218
"766402"	899.134418	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Na"	22.989218
"1613404"	315.037618	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na"	22.989218
"325628"	304.046647	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+Na"	23.996494
"716955"	450.070847	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+Na"	23.996494
"1474056"	158.022447	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+Na"	23.996494
"1065114"	105.684056666667	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2H+Na"	25.00377
"1271169"	325.081886	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+CH3OH+H"	33.033486
"391568"	623.059958	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+K"	38.963158
"748551"	915.108358	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+K"	38.963158
"1551700"	331.011558	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K"	38.963158
"301222"	312.033617	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+K"	39.970434
"706045"	458.057817	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+K"	39.970434
"1457309"	166.009417	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+K"	39.970434
"247740"	626.130626	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+ACN+H"	42.033826
"1220812"	334.082226	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+H"	42.033826
"1207616"	167.544751	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+2H"	43.041102
"203864"	629.06796	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Na-H"	44.97116
"643828"	921.11636	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Na-H"	44.97116
"1145500"	337.01956	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Na-H"	44.97116
"186603"	315.037618	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Na"	45.978436
"626765"	461.061818	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Na"	45.978436
"1125896"	169.013418	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Na"	45.978436
"1408328"	113.011370666667	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+2Na"	46.985712
"1444824"	339.061146	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+HCOOH"	47.012746
"233422"	320.07064	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+3H2O+2H"	56.04448
"1518202"	353.11319	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+H"	61.06479
"423359"	323.024588	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Na+K"	61.952376
"783993"	469.048788	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Na+K"	61.952376
"1679958"	177.000388	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+K"	61.952376
"266481"	648.112568	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+ACN+Na"	64.015768
"1235542"	356.064168	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+Na"	64.015768
"1727732"	356.087693	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4+HCOOH"	64.039293
"1192961"	120.338684666667	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3Na"	68.967654
"1662244"	361.043088	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+HCOOH"	68.994688
"168376"	661.01584	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2K-H"	76.91904
"609030"	953.06424	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2K-H"	76.91904
"1098279"	368.96744	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K-H"	76.91904
"155338"	331.011558	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2K"	77.926316
"595753"	477.035758	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2K"	77.926316
"1083176"	184.987358	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K"	77.926316
"1113834"	370.981992	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K+H"	78.933592
"1348761"	371.069607	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+DMSO+H"	79.021207
"1019842"	375.108776	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2ACN+H"	83.060376
"1536501"	376.102408	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+Na+H"	84.054008
"1001490"	188.058026	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2ACN+2H"	84.067652
"1590890"	377.017028	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K+HCOOH"	84.968628
"1420925"	407.048538	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+CF3COOH"	115.000138
"1162283"	208.571301	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3ACN+2H"	125.094202
"1712318"	424.075085	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4+CF3COOH"	132.026685
"1649180"	429.03048	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+CF3COOH"	136.98208
"1585190"	445.00442	"C14424"	"16-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K+CF3COOH"	152.95602
"805713"	207.1259	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M"	0
"978152"	188.10751	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-H2O-H"	-19.01839
"67488"	137.076657333333	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M-3H"	-3.021828
"502895"	206.118624	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M-3H"	-3.021828
"883756"	68.0346906666667	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-3H"	-3.021828
"6708"	206.118624	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M-2H"	-2.014552
"452830"	309.681574	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M-2H"	-2.014552
"825165"	102.555674	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-2H"	-2.014552
"90260"	413.244524	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M-H"	-1.007276
"531284"	620.370424	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M-H"	-1.007276
"905803"	206.118624	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-H"	-1.007276
"59080"	430.271071	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M-2H+NH4"	16.019271
"495360"	637.396971	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M-2H+NH4"	16.019271
"872068"	223.145171	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-2H+NH4"	16.019271
"36688"	435.226466	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M-2H+Na"	20.974666
"474060"	642.352366	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M-2H+Na"	20.974666
"851498"	228.100566	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-2H+Na"	20.974666
"1633432"	228.100566	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Na-2H"	20.974666
"101212"	224.106963	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M-H+Cl"	33.962126
"547333"	327.669913	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M-H+Cl"	33.962126
"935380"	120.544013	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-H+Cl"	33.962126
"276125"	449.221202	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+Cl"	34.969402
"672920"	656.347102	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+Cl"	34.969402
"1274756"	242.095302	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Cl"	34.969402
"26793"	451.200406	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M-2H+K"	36.948606
"463072"	658.326306	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M-2H+K"	36.948606
"843060"	244.074506	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-2H+K"	36.948606
"1563267"	244.074506	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+K-2H"	36.948606
"948963"	252.124094	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-H+HCOOH"	44.998194
"368270"	459.250001	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+HCOOH-H"	44.998201
"350331"	473.265651	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+Hac-H"	59.013851
"1496248"	266.139751	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Hac-H"	59.013851
"971811"	274.106051	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-H+NaCOOH"	66.980151
"118529"	242.095302	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+2Cl"	69.938804
"552622"	345.658252	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+2Cl"	69.938804
"1027256"	138.532352	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2Cl"	69.938804
"1241853"	286.044785	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Br"	78.918885
"1304905"	288.100772	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Cl+HCOOH"	80.974872
"1334078"	310.082729	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Cl+NaCOOH"	102.956829
"919673"	320.111486	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M-H+CF3COOH"	112.985586
"1297473"	356.088164	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Cl+CF3COOH"	148.962264
"1371259"	172.113224	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H-2H2O"	-35.012676
"1394227"	190.1232	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H-H2O"	-17.0027
"290632"	415.259076	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+H"	1.007276
"677951"	622.384976	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+H"	1.007276
"1354298"	208.133176	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H"	1.007276
"129006"	208.133176	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+2H"	2.014552
"569664"	311.696126	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+2H"	2.014552
"1040647"	104.570226	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2H"	2.014552
"207454"	139.091209333333	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+3H"	3.021828
"653585"	208.133176	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+3H"	3.021828
"1170616"	70.0492426666667	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+3H"	3.021828
"429515"	432.285623	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+NH4"	18.033823
"792693"	639.411523	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+NH4"	18.033823
"1690118"	225.159723	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+NH4"	18.033823
"336212"	216.6464495	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+H+NH4"	19.041099
"727538"	320.2093995	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+H+NH4"	19.041099
"1481359"	113.0834995	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H+NH4"	19.041099
"403328"	437.241018	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+Na"	22.989218
"766509"	644.366918	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+Na"	22.989218
"1615700"	230.115118	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Na"	22.989218
"327924"	219.124147	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+H+Na"	23.996494
"714876"	322.687097	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+H+Na"	23.996494
"1474166"	115.561197	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H+Na"	23.996494
"1065222"	77.3765566666667	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2H+Na"	25.00377
"1270185"	240.159386	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+CH3OH+H"	33.033486
"388760"	453.214958	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+K"	38.963158
"745379"	660.340858	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+K"	38.963158
"1550715"	246.089058	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+K"	38.963158
"303515"	227.111117	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+H+K"	39.970434
"701409"	330.674067	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+H+K"	39.970434
"1455228"	123.548167	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H+K"	39.970434
"246021"	456.285626	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+ACN+H"	42.033826
"1220922"	249.159726	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+ACN+H"	42.033826
"1203712"	125.083501	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+ACN+2H"	43.041102
"195489"	459.22296	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+2Na-H"	44.97116
"637235"	666.34886	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+2Na-H"	44.97116
"1145123"	252.09706	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2Na-H"	44.97116
"184034"	230.115118	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+2Na"	45.978436
"622501"	333.678068	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+2Na"	45.978436
"1120540"	126.552168	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2Na"	45.978436
"1401877"	84.7038706666667	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H+2Na"	46.985712
"1445378"	254.138646	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H+HCOOH"	47.012746
"232437"	235.14814	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+3H2O+2H"	56.04448
"1518312"	268.19069	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+IsoProp+H"	61.06479
"421645"	238.102088	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+Na+K"	61.952376
"784103"	341.665038	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+Na+K"	61.952376
"1679336"	134.539138	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Na+K"	61.952376
"265132"	478.267568	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+ACN+Na"	64.015768
"1240032"	271.141668	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+ACN+Na"	64.015768
"1727351"	271.165193	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+NH4+HCOOH"	64.039293
"1192461"	92.0311846666667	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+3Na"	68.967654
"1662718"	276.120588	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Na+HCOOH"	68.994688
"167757"	491.17084	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+2K-H"	76.91904
"609868"	698.29674	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+2K-H"	76.91904
"1097661"	284.04494	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2K-H"	76.91904
"155083"	246.089058	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"2M+2K"	77.926316
"594398"	349.652008	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"3M+2K"	77.926316
"1082555"	142.526108	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2K"	77.926316
"1112483"	286.059492	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2K+H"	78.933592
"1349842"	286.147107	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+DMSO+H"	79.021207
"1018124"	290.186276	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2ACN+H"	83.060376
"1537340"	291.179908	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+IsoProp+Na+H"	84.054008
"1003057"	145.596776	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+2ACN+2H"	84.067652
"1591000"	292.094528	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+K+HCOOH"	84.968628
"1422128"	322.126038	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+H+CF3COOH"	115.000138
"1162514"	166.110051	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+3ACN+2H"	125.094202
"1711700"	339.152585	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+NH4+CF3COOH"	132.026685
"1649533"	344.10798	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+Na+CF3COOH"	136.98208
"1585300"	360.08192	"C14425"	"Fenobucarb;2-sec-Butylphenyl N-methylcarbamate;BPMC"	"C12H17NO2"	"207.1259"	"M+K+CF3COOH"	152.95602
"805823"	183.0119	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M"	0
"977169"	163.99351	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-H2O-H"	-19.01839
"64318"	121.000657333333	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M-3H"	-3.021828
"502909"	182.004624	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M-3H"	-3.021828
"884960"	59.9966906666667	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-3H"	-3.021828
"6819"	182.004624	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M-2H"	-2.014552
"451847"	273.510574	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M-2H"	-2.014552
"826368"	90.498674	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-2H"	-2.014552
"90371"	365.016524	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M-H"	-1.007276
"530301"	548.028424	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M-H"	-1.007276
"909193"	182.004624	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-H"	-1.007276
"55911"	382.043071	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M-2H+NH4"	16.019271
"488908"	565.054971	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M-2H+NH4"	16.019271
"865980"	199.031171	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-2H+NH4"	16.019271
"34612"	386.998466	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M-2H+Na"	20.974666
"476358"	570.010366	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M-2H+Na"	20.974666
"851973"	203.986566	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-2H+Na"	20.974666
"1628074"	203.986566	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Na-2H"	20.974666
"103508"	199.992963	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M-H+Cl"	33.962126
"543068"	291.498913	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M-H+Cl"	33.962126
"935490"	108.487013	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-H+Cl"	33.962126
"276235"	400.993202	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+Cl"	34.969402
"673030"	584.005102	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+Cl"	34.969402
"1273773"	217.981302	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Cl"	34.969402
"26903"	402.972406	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M-2H+K"	36.948606
"464276"	585.984306	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M-2H+K"	36.948606
"843170"	219.960506	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-2H+K"	36.948606
"1563377"	219.960506	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+K-2H"	36.948606
"949073"	228.010094	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-H+HCOOH"	44.998194
"367287"	411.022001	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+HCOOH-H"	44.998201
"348619"	425.037651	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+Hac-H"	59.013851
"1497451"	242.025751	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Hac-H"	59.013851
"971921"	249.992051	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-H+NaCOOH"	66.980151
"114994"	217.981302	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+2Cl"	69.938804
"553825"	309.487252	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+2Cl"	69.938804
"1030282"	126.475352	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2Cl"	69.938804
"1241842"	261.930785	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Br"	78.918885
"1304894"	263.986772	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Cl+HCOOH"	80.974872
"1334068"	285.968729	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Cl+NaCOOH"	102.956829
"919783"	295.997486	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M-H+CF3COOH"	112.985586
"1297583"	331.974164	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Cl+CF3COOH"	148.962264
"1373557"	147.999224	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H-2H2O"	-35.012676
"1395430"	166.0092	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H-H2O"	-17.0027
"290742"	367.031076	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+H"	1.007276
"678790"	550.042976	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+H"	1.007276
"1354408"	184.019176	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H"	1.007276
"128751"	184.019176	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+2H"	2.014552
"570867"	275.525126	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+2H"	2.014552
"1040028"	92.513226	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2H"	2.014552
"210843"	123.015209333333	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+3H"	3.021828
"652602"	184.019176	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+3H"	3.021828
"1170726"	62.0112426666667	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+3H"	3.021828
"431811"	384.057623	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+NH4"	18.033823
"792804"	567.069523	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+NH4"	18.033823
"1686948"	201.045723	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+NH4"	18.033823
"336322"	192.5324495	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+H+NH4"	19.041099
"728742"	284.0383995	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+H+NH4"	19.041099
"1483657"	101.0264995	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H+NH4"	19.041099
"394682"	389.013018	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+Na"	22.989218
"769174"	572.024918	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+Na"	22.989218
"1617754"	206.001118	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Na"	22.989218
"329008"	195.010147	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+H+Na"	23.996494
"714986"	286.516097	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+H+Na"	23.996494
"1474641"	103.504197	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H+Na"	23.996494
"1059864"	69.3385566666667	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2H+Na"	25.00377
"1271756"	216.045386	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+CH3OH+H"	33.033486
"391422"	404.986958	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+K"	38.963158
"747676"	587.998858	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+K"	38.963158
"1547545"	221.975058	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+K"	38.963158
"303625"	202.997117	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+H+K"	39.970434
"701519"	294.503067	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+H+K"	39.970434
"1452058"	111.491167	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H+K"	39.970434
"246131"	408.057626	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+ACN+H"	42.033826
"1224312"	225.045726	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+ACN+H"	42.033826
"1208559"	113.026501	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+ACN+2H"	43.041102
"201430"	410.99496	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+2Na-H"	44.97116
"641719"	594.00686	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+2Na-H"	44.97116
"1145112"	227.98306	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2Na-H"	44.97116
"187063"	206.001118	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+2Na"	45.978436
"625891"	297.507068	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+2Na"	45.978436
"1125024"	114.495168	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2Na"	45.978436
"1407454"	76.6658706666667	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H+2Na"	46.985712
"1445566"	230.024646	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H+HCOOH"	47.012746
"235511"	211.03414	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+3H2O+2H"	56.04448
"1523528"	244.07669	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+IsoProp+H"	61.06479
"421755"	213.988088	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+Na+K"	61.952376
"784211"	305.494038	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+Na+K"	61.952376
"1681151"	122.482138	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Na+K"	61.952376
"266700"	430.039568	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+ACN+Na"	64.015768
"1241258"	247.027668	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+ACN+Na"	64.015768
"1724649"	247.051193	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+NH4+HCOOH"	64.039293
"1193299"	83.9931846666667	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+3Na"	68.967654
"1663191"	252.006588	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Na+HCOOH"	68.994688
"171145"	442.94284	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+2K-H"	76.91904
"612041"	625.95474	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+2K-H"	76.91904
"1098130"	259.93094	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2K-H"	76.91904
"155676"	221.975058	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"2M+2K"	77.926316
"594872"	313.481008	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"3M+2K"	77.926316
"1082301"	130.469108	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2K"	77.926316
"1111135"	261.945492	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2K+H"	78.933592
"1349344"	262.033107	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+DMSO+H"	79.021207
"1018236"	266.072276	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2ACN+H"	83.060376
"1538059"	267.065908	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+IsoProp+Na+H"	84.054008
"1003167"	133.539776	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+2ACN+2H"	84.067652
"1594390"	267.980528	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+K+HCOOH"	84.968628
"1425518"	298.012038	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+H+CF3COOH"	115.000138
"1162641"	154.053051	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+3ACN+2H"	125.094202
"1712175"	315.038585	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+NH4+CF3COOH"	132.026685
"1649158"	319.99398	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+Na+CF3COOH"	136.98208
"1585410"	335.96792	"C14426"	"Acephate;OS-Dimethylacetylphosphoroamidothioate"	"C4H10NO3PS"	"183.0119"	"M+K+CF3COOH"	152.95602
"805933"	310.0321	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M"	0
"974518"	291.01371	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-H2O-H"	-19.01839
"64428"	205.680790666667	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M-3H"	-3.021828
"503371"	309.024824	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M-3H"	-3.021828
"881789"	102.336757333333	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-3H"	-3.021828
"8022"	309.024824	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M-2H"	-2.014552
"449771"	464.040874	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M-2H"	-2.014552
"827571"	154.008774	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-2H"	-2.014552
"87566"	619.056924	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M-H"	-1.007276
"524937"	929.089024	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M-H"	-1.007276
"907117"	309.024824	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-H"	-1.007276
"52741"	636.083471	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M-2H+NH4"	16.019271
"489744"	946.115571	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M-2H+NH4"	16.019271
"867547"	326.051371	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-2H+NH4"	16.019271
"34721"	641.038866	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M-2H+Na"	20.974666
"476468"	951.070966	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M-2H+Na"	20.974666
"850988"	331.006766	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-2H+Na"	20.974666
"1627091"	331.006766	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Na-2H"	20.974666
"98152"	327.013163	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M-H+Cl"	33.962126
"537711"	482.029213	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M-H+Cl"	33.962126
"932320"	171.997113	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-H+Cl"	33.962126
"276345"	655.033602	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+Cl"	34.969402
"671684"	965.065702	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+Cl"	34.969402
"1274004"	345.001502	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Cl"	34.969402
"23004"	657.012806	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M-2H+K"	36.948606
"456851"	967.044906	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M-2H+K"	36.948606
"837084"	346.980706	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-2H+K"	36.948606
"1558020"	346.980706	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+K-2H"	36.948606
"945174"	355.030294	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-H+HCOOH"	44.998194
"363387"	665.062401	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+HCOOH-H"	44.998201
"347270"	679.078051	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+Hac-H"	59.013851
"1494645"	369.045951	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Hac-H"	59.013851
"962919"	377.012251	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-H+NaCOOH"	66.980151
"111215"	345.001502	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+2Cl"	69.938804
"551018"	500.017552	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+2Cl"	69.938804
"1021797"	189.985452	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2Cl"	69.938804
"1241393"	388.950985	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Br"	78.918885
"1304636"	391.006972	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Cl+HCOOH"	80.974872
"1333568"	412.988929	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Cl+NaCOOH"	102.956829
"922080"	423.017686	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M-H+CF3COOH"	112.985586
"1296600"	458.994364	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Cl+CF3COOH"	148.962264
"1375854"	275.019424	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H-2H2O"	-35.012676
"1393354"	293.0294	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H-H2O"	-17.0027
"290852"	621.071476	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+H"	1.007276
"681087"	931.103576	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+H"	1.007276
"1354883"	311.039376	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H"	1.007276
"131413"	311.039376	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+2H"	2.014552
"569155"	466.055426	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+2H"	2.014552
"1040138"	156.023326	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2H"	2.014552
"207673"	207.695342666667	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+3H"	3.021828
"650526"	311.039376	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+3H"	3.021828
"1169743"	104.351309333333	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+3H"	3.021828
"427549"	638.098023	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+NH4"	18.033823
"788541"	948.130123	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+NH4"	18.033823
"1684872"	328.065923	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+NH4"	18.033823
"332057"	319.5526495	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+H+NH4"	19.041099
"725572"	474.5686995	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+H+NH4"	19.041099
"1479393"	164.5365995	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H+NH4"	19.041099
"394791"	643.053418	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+Na"	22.989218
"757970"	953.085518	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+Na"	22.989218
"1613733"	333.021318	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Na"	22.989218
"327051"	322.030347	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+H+Na"	23.996494
"715096"	477.046397	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+H+Na"	23.996494
"1474385"	167.014297	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H+Na"	23.996494
"1063253"	111.678623333333	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2H+Na"	25.00377
"1271499"	343.065586	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+CH3OH+H"	33.033486
"390803"	659.027358	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+K"	38.963158
"748879"	969.059458	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+K"	38.963158
"1547655"	348.995258	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+K"	38.963158
"303735"	330.017317	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+H+K"	39.970434
"700536"	485.033367	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+H+K"	39.970434
"1451075"	175.001267	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H+K"	39.970434
"246241"	662.098026	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+ACN+H"	42.033826
"1223330"	352.065926	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+ACN+H"	42.033826
"1207577"	176.536601	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+ACN+2H"	43.041102
"201176"	665.03536	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+2Na-H"	44.97116
"639277"	975.06746	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+2Na-H"	44.97116
"1144250"	355.00326	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2Na-H"	44.97116
"184984"	333.021318	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+2Na"	45.978436
"621628"	488.037368	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+2Na"	45.978436
"1120031"	178.005268	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2Na"	45.978436
"1406470"	119.005937333333	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H+2Na"	46.985712
"1444910"	357.044846	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H+HCOOH"	47.012746
"234118"	338.05434	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+3H2O+2H"	56.04448
"1522180"	371.09689	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+IsoProp+H"	61.06479
"421498"	341.008288	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+Na+K"	61.952376
"781401"	496.024338	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+Na+K"	61.952376
"1678825"	185.992238	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Na+K"	61.952376
"266809"	684.079968	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+ACN+Na"	64.015768
"1240253"	374.047868	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+ACN+Na"	64.015768
"1724758"	374.071393	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+NH4+HCOOH"	64.039293
"1193045"	126.333251333333	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+3Na"	68.967654
"1662936"	379.026788	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Na+HCOOH"	68.994688
"171254"	696.98324	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+2K-H"	76.91904
"611177"	1007.01534	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+2K-H"	76.91904
"1095689"	386.95114	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2K-H"	76.91904
"155423"	348.995258	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"2M+2K"	77.926316
"593159"	504.011308	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"3M+2K"	77.926316
"1081317"	193.979208	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2K"	77.926316
"1111244"	388.965692	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2K+H"	78.933592
"1349090"	389.053307	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+DMSO+H"	79.021207
"1018346"	393.092476	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2ACN+H"	83.060376
"1536834"	394.086108	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+IsoProp+Na+H"	84.054008
"1002184"	197.049876	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+2ACN+2H"	84.067652
"1594500"	395.000728	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+K+HCOOH"	84.968628
"1422348"	425.032238	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+H+CF3COOH"	115.000138
"1162642"	217.563151	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+3ACN+2H"	125.094202
"1712041"	442.058785	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+NH4+CF3COOH"	132.026685
"1649390"	447.01418	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+Na+CF3COOH"	136.98208
"1585520"	462.98812	"C14427"	"Diflubenzuron;N-(4-Chlorophenylcarbamoyl)-26-difluorobenzamide"	"C14H9ClF2N2O2"	"310.0321"	"M+K+CF3COOH"	152.95602
"807136"	257.0641	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M"	0
"974589"	238.04571	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-H2O-H"	-19.01839
"65631"	170.368790666667	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M-3H"	-3.021828
"503487"	256.056824	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M-3H"	-3.021828
"881412"	84.6807573333333	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-3H"	-3.021828
"8132"	256.056824	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M-2H"	-2.014552
"449880"	384.588874	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M-2H"	-2.014552
"825494"	127.524774	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-2H"	-2.014552
"81112"	513.120924	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M-H"	-1.007276
"521767"	770.185024	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M-H"	-1.007276
"908685"	256.056824	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-H"	-1.007276
"52851"	530.147471	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M-2H+NH4"	16.019271
"490222"	787.211571	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M-2H+NH4"	16.019271
"866928"	273.083371	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-2H+NH4"	16.019271
"34831"	535.102866	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M-2H+Na"	20.974666
"478765"	792.166966	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M-2H+Na"	20.974666
"852191"	278.038766	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-2H+Na"	20.974666
"1625014"	278.038766	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Na-2H"	20.974666
"98262"	274.045163	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M-H+Cl"	33.962126
"534904"	402.577213	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M-H+Cl"	33.962126
"933523"	145.513113	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-H+Cl"	33.962126
"276455"	549.097602	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+Cl"	34.969402
"671064"	806.161702	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+Cl"	34.969402
"1274722"	292.033502	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Cl"	34.969402
"23114"	551.076806	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M-2H+K"	36.948606
"457206"	808.140906	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M-2H+K"	36.948606
"837194"	294.012706	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-2H+K"	36.948606
"1559223"	294.012706	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+K-2H"	36.948606
"944918"	302.062294	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-H+HCOOH"	44.998194
"363862"	559.126401	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+HCOOH-H"	44.998201
"346772"	573.142051	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+Hac-H"	59.013851
"1495485"	316.077951	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Hac-H"	59.013851
"964122"	324.044251	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-H+NaCOOH"	66.980151
"111569"	292.033502	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+2Cl"	69.938804
"550277"	420.565552	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+2Cl"	69.938804
"1022113"	163.501452	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2Cl"	69.938804
"1242181"	335.982985	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Br"	78.918885
"1305233"	338.038972	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Cl+HCOOH"	80.974872
"1323834"	360.020929	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Cl+NaCOOH"	102.956829
"921097"	370.049686	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M-H+CF3COOH"	112.985586
"1297804"	406.026364	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Cl+CF3COOH"	148.962264
"1375964"	222.051424	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H-2H2O"	-35.012676
"1393464"	240.0614	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H-H2O"	-17.0027
"289869"	515.135476	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+H"	1.007276
"681197"	772.199576	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+H"	1.007276
"1355358"	258.071376	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H"	1.007276
"127514"	258.071376	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+2H"	2.014552
"571088"	386.603426	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+2H"	2.014552
"1040249"	129.539326	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2H"	2.014552
"204744"	172.383342666667	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+3H"	3.021828
"652821"	258.071376	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+3H"	3.021828
"1170946"	86.6953093333333	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+3H"	3.021828
"428752"	532.162023	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+NH4"	18.033823
"789744"	789.226123	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+NH4"	18.033823
"1687168"	275.097923	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+NH4"	18.033823
"330583"	266.5846495	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+H+NH4"	19.041099
"725682"	395.1166995	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+H+NH4"	19.041099
"1478772"	138.0525995	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H+NH4"	19.041099
"395265"	537.117418	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+Na"	22.989218
"758080"	794.181518	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+Na"	22.989218
"1612750"	280.053318	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Na"	22.989218
"327161"	269.062347	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+H+Na"	23.996494
"716299"	397.594397	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+H+Na"	23.996494
"1473402"	140.530297	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H+Na"	23.996494
"1064456"	94.0226233333333	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2H+Na"	25.00377
"1270515"	290.097586	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+CH3OH+H"	33.033486
"390184"	553.091358	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+K"	38.963158
"747896"	810.155458	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+K"	38.963158
"1547764"	296.027258	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+K"	38.963158
"299835"	277.049317	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+H+K"	39.970434
"697366"	405.581367	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+H+K"	39.970434
"1450091"	148.517267	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H+K"	39.970434
"246351"	556.162026	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+ACN+H"	42.033826
"1224173"	299.097926	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+ACN+H"	42.033826
"1206593"	150.052601	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+ACN+2H"	43.041102
"203110"	559.09936	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+2Na-H"	44.97116
"641210"	816.16346	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+2Na-H"	44.97116
"1144967"	302.03526	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2Na-H"	44.97116
"186187"	280.053318	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+2Na"	45.978436
"623924"	408.585368	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+2Na"	45.978436
"1121963"	151.521268	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2Na"	45.978436
"1403300"	101.349937333333	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H+2Na"	46.985712
"1444899"	304.076846	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H+HCOOH"	47.012746
"235320"	285.08634	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+3H2O+2H"	56.04448
"1523748"	318.12889	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+IsoProp+H"	61.06479
"421608"	288.040288	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+Na+K"	61.952376
"779324"	416.572338	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+Na+K"	61.952376
"1674561"	159.508238	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Na+K"	61.952376
"265464"	578.143968	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+ACN+Na"	64.015768
"1238906"	321.079868	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+ACN+Na"	64.015768
"1723775"	321.103393	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+NH4+HCOOH"	64.039293
"1192426"	108.677251333333	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+3Na"	68.967654
"1663776"	326.058788	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Na+HCOOH"	68.994688
"171364"	591.04724	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+2K-H"	76.91904
"609466"	848.11134	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+2K-H"	76.91904
"1093245"	333.98314	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2K-H"	76.91904
"151521"	296.027258	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"2M+2K"	77.926316
"592540"	424.559308	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"3M+2K"	77.926316
"1079605"	167.495208	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2K"	77.926316
"1109897"	335.997692	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2K+H"	78.933592
"1349200"	336.085307	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+DMSO+H"	79.021207
"1018092"	340.124476	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2ACN+H"	83.060376
"1535484"	341.118108	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+IsoProp+Na+H"	84.054008
"1001201"	170.565876	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+2ACN+2H"	84.067652
"1592420"	342.032728	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+K+HCOOH"	84.968628
"1424644"	372.064238	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+H+CF3COOH"	115.000138
"1162563"	191.079151	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+3ACN+2H"	125.094202
"1711422"	389.090785	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+NH4+CF3COOH"	132.026685
"1649255"	394.04618	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+Na+CF3COOH"	136.98208
"1585630"	410.02012	"C14428"	"Thiobencarb;Benthiocarb;S-4-Chlorobenzyl diethylthiocarbamate"	"C12H16ClNOS"	"257.0641"	"M+K+CF3COOH"	152.95602
"806154"	320.0306	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M"	0
"974703"	301.01221	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-H2O-H"	-19.01839
"67928"	212.346457333333	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M-3H"	-3.021828
"502844"	319.023324	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M-3H"	-3.021828
"884197"	105.669590666667	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-3H"	-3.021828
"7149"	319.023324	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M-2H"	-2.014552
"448897"	479.038624	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M-2H"	-2.014552
"825606"	159.008024	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-2H"	-2.014552
"81222"	639.053924	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M-H"	-1.007276
"520784"	959.084524	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M-H"	-1.007276
"898586"	319.023324	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-H"	-1.007276
"47735"	656.080471	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M-2H+NH4"	16.019271
"488509"	976.111071	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M-2H+NH4"	16.019271
"865702"	336.049871	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-2H+NH4"	16.019271
"34211"	661.035866	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M-2H+Na"	20.974666
"474502"	981.066466	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M-2H+Na"	20.974666
"850479"	341.005266	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-2H+Na"	20.974666
"1625124"	341.005266	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Na-2H"	20.974666
"99465"	337.011663	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M-H+Cl"	33.962126
"534525"	497.026963	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M-H+Cl"	33.962126
"935820"	176.996363	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-H+Cl"	33.962126
"273285"	675.030602	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+Cl"	34.969402
"668986"	995.061202	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+Cl"	34.969402
"1277019"	355.000002	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Cl"	34.969402
"26505"	677.009806	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M-2H+K"	36.948606
"462418"	997.040406	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M-2H+K"	36.948606
"836939"	356.979206	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-2H+K"	36.948606
"1556293"	356.979206	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+K-2H"	36.948606
"944664"	365.028794	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-H+HCOOH"	44.998194
"365066"	685.059401	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+HCOOH-H"	44.998201
"345774"	699.075051	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+Hac-H"	59.013851
"1494866"	379.044451	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Hac-H"	59.013851
"966055"	387.010751	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-H+NaCOOH"	66.980151
"112408"	355.000002	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+2Cl"	69.938804
"551724"	515.015302	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+2Cl"	69.938804
"1024410"	194.984702	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2Cl"	69.938804
"1242170"	398.949485	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Br"	78.918885
"1306074"	401.005472	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Cl+HCOOH"	80.974872
"1323944"	422.987429	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Cl+NaCOOH"	102.956829
"926311"	433.016186	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M-H+CF3COOH"	112.985586
"1297914"	468.992864	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Cl+CF3COOH"	148.962264
"1379356"	285.017924	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H-2H2O"	-35.012676
"1393574"	303.0279	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H-H2O"	-17.0027
"289979"	641.068476	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+H"	1.007276
"685680"	961.099076	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+H"	1.007276
"1355468"	321.037876	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H"	1.007276
"127624"	321.037876	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+2H"	2.014552
"571198"	481.053176	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+2H"	2.014552
"1037564"	161.022576	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2H"	2.014552
"204653"	214.361009333333	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+3H"	3.021828
"646367"	321.037876	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+3H"	3.021828
"1171056"	107.684142666667	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+3H"	3.021828
"431047"	658.095023	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+NH4"	18.033823
"789854"	978.125623	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+NH4"	18.033823
"1685092"	338.064423	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+NH4"	18.033823
"332274"	329.5511495	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+H+NH4"	19.041099
"725061"	489.5664495	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+H+NH4"	19.041099
"1480702"	169.5358495	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H+NH4"	19.041099
"397195"	663.050418	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+Na"	22.989218
"756002"	983.081018	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+Na"	22.989218
"1612860"	343.019818	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Na"	22.989218
"328364"	332.028847	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+H+Na"	23.996494
"713129"	492.044147	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+H+Na"	23.996494
"1471326"	172.013547	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H+Na"	23.996494
"1063473"	115.011456666667	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2H+Na"	25.00377
"1268438"	353.064086	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+CH3OH+H"	33.033486
"387012"	679.024358	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+K"	38.963158
"743631"	999.054958	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+K"	38.963158
"1548967"	358.993758	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+K"	38.963158
"299945"	340.015817	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+H+K"	39.970434
"695289"	500.031117	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+H+K"	39.970434
"1449107"	180.000517	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H+K"	39.970434
"243181"	682.095026	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+ACN+H"	42.033826
"1224042"	362.064426	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+ACN+H"	42.033826
"1208894"	181.535851	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+ACN+2H"	43.041102
"203219"	685.03236	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+2Na-H"	44.97116
"643675"	1005.06296	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+2Na-H"	44.97116
"1144101"	365.00176	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2Na-H"	44.97116
"187271"	343.019818	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+2Na"	45.978436
"622940"	503.035118	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+2Na"	45.978436
"1125351"	183.004518	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2Na"	45.978436
"1408873"	122.338770666667	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H+2Na"	46.985712
"1439895"	367.043346	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H+HCOOH"	47.012746
"225215"	348.05284	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+3H2O+2H"	56.04448
"1514372"	381.09539	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+IsoProp+H"	61.06479
"420621"	351.006788	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+Na+K"	61.952376
"778335"	511.022088	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+Na+K"	61.952376
"1668106"	190.991488	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Na+K"	61.952376
"259003"	704.076968	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+ACN+Na"	64.015768
"1238276"	384.046368	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+ACN+Na"	64.015768
"1723893"	384.069893	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+NH4+HCOOH"	64.039293
"1192531"	129.666084666667	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+3Na"	68.967654
"1663152"	389.025288	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Na+HCOOH"	68.994688
"171107"	716.98024	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+2K-H"	76.91904
"609569"	1037.01084	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+2K-H"	76.91904
"1097358"	396.94964	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2K-H"	76.91904
"151257"	358.993758	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"2M+2K"	77.926316
"590816"	519.009058	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"3M+2K"	77.926316
"1080080"	198.978458	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2K"	77.926316
"1111464"	398.964192	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2K+H"	78.933592
"1348581"	399.051807	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+DMSO+H"	79.021207
"1017108"	403.090976	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2ACN+H"	83.060376
"1537051"	404.084608	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+IsoProp+Na+H"	84.054008
"1003497"	202.049126	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+2ACN+2H"	84.067652
"1591437"	404.999228	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+K+HCOOH"	84.968628
"1423661"	435.030738	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+H+CF3COOH"	115.000138
"1162547"	222.562401	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+3ACN+2H"	125.094202
"1712138"	452.057285	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+NH4+CF3COOH"	132.026685
"1649365"	457.01268	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+Na+CF3COOH"	136.98208
"1585740"	472.98662	"C14429"	"Phenthoate;Fenthoate"	"C12H17O4PS2"	"320.0306"	"M+K+CF3COOH"	152.95602
"806264"	219.9459	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M"	0
"975422"	200.92751	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-H2O-H"	-19.01839
"66945"	145.623324	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M-3H"	-3.021828
"503225"	218.938624	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M-3H"	-3.021828
"886495"	72.308024	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-3H"	-3.021828
"2883"	218.938624	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M-2H"	-2.014552
"449007"	328.911574	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M-2H"	-2.014552
"825716"	108.965674	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-2H"	-2.014552
"81332"	438.884524	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M-H"	-1.007276
"519801"	658.830424	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M-H"	-1.007276
"896139"	218.938624	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-H"	-1.007276
"47967"	455.911071	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M-2H+NH4"	16.019271
"488981"	675.856971	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M-2H+NH4"	16.019271
"864598"	235.965171	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-2H+NH4"	16.019271
"31893"	460.866466	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M-2H+Na"	20.974666
"471817"	680.812366	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M-2H+Na"	20.974666
"849859"	240.920566	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-2H+Na"	20.974666
"1619395"	240.920566	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Na-2H"	20.974666
"98482"	236.926963	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M-H+Cl"	33.962126
"536948"	346.899913	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M-H+Cl"	33.962126
"938117"	126.954013	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-H+Cl"	33.962126
"273395"	474.861202	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+Cl"	34.969402
"670189"	694.807102	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+Cl"	34.969402
"1277129"	254.915302	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Cl"	34.969402
"16648"	476.840406	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M-2H+K"	36.948606
"464715"	696.786306	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M-2H+K"	36.948606
"837049"	256.894506	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-2H+K"	36.948606
"1558350"	256.894506	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+K-2H"	36.948606
"947328"	264.944094	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-H+HCOOH"	44.998194
"364812"	484.890001	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+HCOOH-H"	44.998201
"347966"	498.905651	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+Hac-H"	59.013851
"1496069"	278.959751	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Hac-H"	59.013851
"965801"	286.926051	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-H+NaCOOH"	66.980151
"111789"	254.915302	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+2Cl"	69.938804
"552078"	364.888252	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+2Cl"	69.938804
"1024157"	144.942352	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2Cl"	69.938804
"1241831"	298.864785	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Br"	78.918885
"1306914"	300.920772	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Cl+HCOOH"	80.974872
"1323690"	322.902729	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Cl+NaCOOH"	102.956829
"920224"	332.931486	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M-H+CF3COOH"	112.985586
"1298024"	368.908164	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Cl+CF3COOH"	148.962264
"1373997"	184.933224	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H-2H2O"	-35.012676
"1387122"	202.9432	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H-H2O"	-17.0027
"291182"	440.899076	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+H"	1.007276
"685790"	660.844976	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+H"	1.007276
"1355578"	220.953176	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H"	1.007276
"126032"	220.953176	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+2H"	2.014552
"571308"	330.926126	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+2H"	2.014552
"1037309"	110.980226	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2H"	2.014552
"205209"	147.637876	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+3H"	3.021828
"649756"	220.953176	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+3H"	3.021828
"1170072"	74.322576	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+3H"	3.021828
"430064"	457.925623	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+NH4"	18.033823
"788869"	677.871523	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+NH4"	18.033823
"1685201"	237.979723	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+NH4"	18.033823
"333477"	229.4664495	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+H+NH4"	19.041099
"723025"	339.4393995	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+H+NH4"	19.041099
"1479718"	119.4934995	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H+NH4"	19.041099
"396212"	462.881018	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+Na"	22.989218
"756112"	682.826918	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+Na"	22.989218
"1615156"	242.935118	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Na"	22.989218
"327380"	231.944147	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+H+Na"	23.996494
"714331"	341.917097	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+H+Na"	23.996494
"1473622"	121.971197	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H+Na"	23.996494
"1063219"	81.64989	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2H+Na"	25.00377
"1269641"	252.979386	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+CH3OH+H"	33.033486
"386027"	478.854958	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+K"	38.963158
"743741"	698.800858	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+K"	38.963158
"1547983"	258.909058	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+K"	38.963158
"300053"	239.931117	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+H+K"	39.970434
"697585"	349.904067	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+H+K"	39.970434
"1448124"	129.958167	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H+K"	39.970434
"243291"	481.925626	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+ACN+H"	42.033826
"1225124"	261.979726	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+ACN+H"	42.033826
"1209740"	131.493501	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+ACN+2H"	43.041102
"203816"	484.86296	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+2Na-H"	44.97116
"643823"	704.80886	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+2Na-H"	44.97116
"1145548"	264.91706	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2Na-H"	44.97116
"187381"	242.935118	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+2Na"	45.978436
"624142"	352.908068	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+2Na"	45.978436
"1126553"	132.962168	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2Na"	45.978436
"1408982"	88.977204	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H+2Na"	46.985712
"1438912"	266.958646	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H+HCOOH"	47.012746
"234683"	247.96814	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+3H2O+2H"	56.04448
"1513024"	281.01069	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+IsoProp+H"	61.06479
"414170"	250.922088	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+Na+K"	61.952376
"776259"	360.895038	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+Na+K"	61.952376
"1668216"	140.949138	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Na+K"	61.952376
"259113"	503.907568	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+ACN+Na"	64.015768
"1238385"	283.961668	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+ACN+Na"	64.015768
"1726433"	283.985193	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+NH4+HCOOH"	64.039293
"1192274"	96.304518	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+3Na"	68.967654
"1662166"	288.940588	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Na+HCOOH"	68.994688
"170485"	516.81084	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+2K-H"	76.91904
"611500"	736.75674	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+2K-H"	76.91904
"1095645"	296.86494	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2K-H"	76.91904
"150273"	258.909058	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"2M+2K"	77.926316
"586553"	368.882008	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"3M+2K"	77.926316
"1072157"	148.936108	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2K"	77.926316
"1112669"	298.879492	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2K+H"	78.933592
"1349052"	298.967107	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+DMSO+H"	79.021207
"1016488"	303.006276	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2ACN+H"	83.060376
"1536068"	303.999908	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+IsoProp+Na+H"	84.054008
"1001421"	152.006776	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+2ACN+2H"	84.067652
"1589361"	304.914528	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+K+HCOOH"	84.968628
"1424864"	334.946038	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+H+CF3COOH"	115.000138
"1162089"	172.520051	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+3ACN+2H"	125.094202
"1712705"	351.972585	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+NH4+CF3COOH"	132.026685
"1649476"	356.92798	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+Na+CF3COOH"	136.98208
"1585850"	372.90192	"C14430"	"Dichlorvos;22-Dichloroethenyl dimethyl phosphate;DDVP"	"C4H7Cl2O4P"	"219.9459"	"M+K+CF3COOH"	152.95602
"806374"	301.9619	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M"	0
"976626"	282.94351	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-H2O-H"	-19.01839
"67055"	200.300657333333	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M-3H"	-3.021828
"503375"	300.954624	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M-3H"	-3.021828
"885512"	99.6466906666667	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-3H"	-3.021828
"235"	300.954624	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M-2H"	-2.014552
"446931"	451.935574	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M-2H"	-2.014552
"823640"	149.973674	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-2H"	-2.014552
"78738"	602.916524	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M-H"	-1.007276
"519056"	904.878424	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M-H"	-1.007276
"895761"	300.954624	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-H"	-1.007276
"47955"	619.943071	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M-2H+NH4"	16.019271
"487628"	921.904971	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M-2H+NH4"	16.019271
"865914"	317.981171	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-2H+NH4"	16.019271
"33096"	624.898466	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M-2H+Na"	20.974666
"471841"	926.860366	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M-2H+Na"	20.974666
"848559"	322.936566	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-2H+Na"	20.974666
"1619869"	322.936566	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Na-2H"	20.974666
"95432"	318.942963	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M-H+Cl"	33.962126
"539245"	469.923913	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M-H+Cl"	33.962126
"938227"	167.962013	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-H+Cl"	33.962126
"273504"	638.893202	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+Cl"	34.969402
"662644"	940.855102	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+Cl"	34.969402
"1278333"	336.931302	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Cl"	34.969402
"18702"	640.872406	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M-2H+K"	36.948606
"462639"	942.834306	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M-2H+K"	36.948606
"837159"	338.910506	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-2H+K"	36.948606
"1559554"	338.910506	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+K-2H"	36.948606
"944885"	346.960094	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-H+HCOOH"	44.998194
"364921"	648.922001	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+HCOOH-H"	44.998201
"346614"	662.937651	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+Hac-H"	59.013851
"1493629"	360.975751	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Hac-H"	59.013851
"962630"	368.942051	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-H+NaCOOH"	66.980151
"112259"	336.931302	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+2Cl"	69.938804
"551456"	487.912252	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+2Cl"	69.938804
"1022321"	185.950352	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2Cl"	69.938804
"1241368"	380.880785	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Br"	78.918885
"1304310"	382.936772	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Cl+HCOOH"	80.974872
"1323800"	404.918729	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Cl+NaCOOH"	102.956829
"920334"	414.947486	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M-H+CF3COOH"	112.985586
"1298134"	450.924164	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Cl+CF3COOH"	148.962264
"1377387"	266.949224	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H-2H2O"	-35.012676
"1387232"	284.9592	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H-H2O"	-17.0027
"291292"	604.931076	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+H"	1.007276
"682620"	906.892976	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+H"	1.007276
"1355688"	302.969176	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H"	1.007276
"126508"	302.969176	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+2H"	2.014552
"572511"	453.950126	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+2H"	2.014552
"1037499"	151.988226	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2H"	2.014552
"204668"	202.315209333333	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+3H"	3.021828
"649866"	302.969176	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+3H"	3.021828
"1170182"	101.661242666667	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+3H"	3.021828
"433453"	621.957623	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+NH4"	18.033823
"787885"	923.919523	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+NH4"	18.033823
"1684217"	319.995723	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+NH4"	18.033823
"332494"	311.4824495	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+H+NH4"	19.041099
"723216"	462.4633995	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+H+NH4"	19.041099
"1478856"	160.5014995	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H+NH4"	19.041099
"395229"	626.913018	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+Na"	22.989218
"755129"	928.874918	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+Na"	22.989218
"1614173"	324.951118	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Na"	22.989218
"324210"	313.960147	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+H+Na"	23.996494
"712255"	464.941097	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+H+Na"	23.996494
"1472638"	162.979197	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H+Na"	23.996494
"1058590"	108.988556666667	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2H+Na"	25.00377
"1266471"	334.995386	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+CH3OH+H"	33.033486
"381761"	642.886958	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+K"	38.963158
"742025"	944.848858	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+K"	38.963158
"1542625"	340.925058	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+K"	38.963158
"299432"	321.947117	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+H+K"	39.970434
"697695"	472.928067	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+H+K"	39.970434
"1446043"	170.966167	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H+K"	39.970434
"243401"	645.957626	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+ACN+H"	42.033826
"1225509"	343.995726	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+ACN+H"	42.033826
"1209838"	172.501501	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+ACN+2H"	43.041102
"203439"	648.89496	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+2Na-H"	44.97116
"643491"	950.85686	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+2Na-H"	44.97116
"1145173"	346.93306	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2Na-H"	44.97116
"186883"	324.951118	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+2Na"	45.978436
"624252"	475.932068	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+2Na"	45.978436
"1123018"	173.970168	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2Na"	45.978436
"1404719"	116.315870666667	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H+2Na"	46.985712
"1436835"	348.974646	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H+HCOOH"	47.012746
"234186"	329.98414	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+3H2O+2H"	56.04448
"1518965"	363.02669	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+IsoProp+H"	61.06479
"414280"	332.938088	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+Na+K"	61.952376
"776369"	483.919038	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+Na+K"	61.952376
"1668326"	181.957138	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Na+K"	61.952376
"259223"	667.939568	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+ACN+Na"	64.015768
"1227191"	365.977668	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+ACN+Na"	64.015768
"1727635"	366.001193	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+NH4+HCOOH"	64.039293
"1192019"	123.643184666667	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+3Na"	68.967654
"1663005"	370.956588	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Na+HCOOH"	68.994688
"169501"	680.84284	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+2K-H"	76.91904
"611974"	982.80474	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+2K-H"	76.91904
"1095755"	378.88094	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2K-H"	76.91904
"151476"	340.925058	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"2M+2K"	77.926316
"586663"	491.906008	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"3M+2K"	77.926316
"1071174"	189.944108	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2K"	77.926316
"1113870"	380.895492	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2K+H"	78.933592
"1349162"	380.983107	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+DMSO+H"	79.021207
"1017690"	385.022276	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2ACN+H"	83.060376
"1536907"	386.015908	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+IsoProp+Na+H"	84.054008
"1003717"	193.014776	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+2ACN+2H"	84.067652
"1589471"	386.930528	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+K+HCOOH"	84.968628
"1424974"	416.962038	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+H+CF3COOH"	115.000138
"1162323"	213.528051	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+3ACN+2H"	125.094202
"1712437"	433.988585	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+NH4+CF3COOH"	132.026685
"1649584"	438.94398	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+Na+CF3COOH"	136.98208
"1585960"	454.91792	"C14431"	"Methidathion"	"C6H11N2O4PS3"	"301.9619"	"M+K+CF3COOH"	152.95602
"806484"	342.0456	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M"	0
"977830"	323.02721	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-H2O-H"	-19.01839
"69353"	227.023124	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M-3H"	-3.021828
"504540"	341.038324	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M-3H"	-3.021828
"885624"	113.007924	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-3H"	-3.021828
"2010"	341.038324	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M-2H"	-2.014552
"445948"	512.061124	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M-2H"	-2.014552
"823749"	170.015524	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-2H"	-2.014552
"81554"	683.083924	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M-H"	-1.007276
"519045"	1025.129524	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M-H"	-1.007276
"896115"	341.038324	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-H"	-1.007276
"48186"	700.110471	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M-2H+NH4"	16.019271
"487747"	1042.156071	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M-2H+NH4"	16.019271
"866279"	358.064871	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-2H+NH4"	16.019271
"38553"	705.065866	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M-2H+Na"	20.974666
"477019"	1047.111466	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M-2H+Na"	20.974666
"849357"	363.020266	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-2H+Na"	20.974666
"1620344"	363.020266	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Na-2H"	20.974666
"97607"	359.026663	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M-H+Cl"	33.962126
"539355"	530.049463	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M-H+Cl"	33.962126
"939430"	188.003863	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-H+Cl"	33.962126
"275803"	719.060602	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+Cl"	34.969402
"662024"	1061.106202	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+Cl"	34.969402
"1275163"	377.015002	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Cl"	34.969402
"22092"	721.039806	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M-2H+K"	36.948606
"457279"	1063.085406	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M-2H+K"	36.948606
"834715"	378.994206	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-2H+K"	36.948606
"1557110"	378.994206	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+K-2H"	36.948606
"946816"	387.043794	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-H+HCOOH"	44.998194
"367946"	729.089401	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+HCOOH-H"	44.998201
"347821"	743.105051	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+Hac-H"	59.013851
"1494103"	401.059451	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Hac-H"	59.013851
"960916"	409.025751	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-H+NaCOOH"	66.980151
"111279"	377.015002	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+2Cl"	69.938804
"551202"	548.037802	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+2Cl"	69.938804
"1022067"	205.992202	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2Cl"	69.938804
"1246514"	420.964485	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Br"	78.918885
"1309327"	423.020472	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Cl+HCOOH"	80.974872
"1323910"	445.002429	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Cl+NaCOOH"	102.956829
"922630"	455.031186	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M-H+CF3COOH"	112.985586
"1300430"	491.007864	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Cl+CF3COOH"	148.962264
"1377497"	307.032924	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H-2H2O"	-35.012676
"1387342"	325.0429	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H-H2O"	-17.0027
"291402"	685.098476	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+H"	1.007276
"680543"	1027.144076	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+H"	1.007276
"1354704"	343.052876	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H"	1.007276
"126373"	343.052876	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+2H"	2.014552
"566302"	514.075676	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+2H"	2.014552
"1037529"	172.030076	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2H"	2.014552
"204821"	229.037676	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+3H"	3.021828
"649976"	343.052876	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+3H"	3.021828
"1171384"	115.022476	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+3H"	3.021828
"432470"	702.125023	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+NH4"	18.033823
"786902"	1044.170623	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+NH4"	18.033823
"1685420"	360.079423	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+NH4"	18.033823
"331511"	351.5661495	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+H+NH4"	19.041099
"725148"	522.5889495	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+H+NH4"	19.041099
"1477628"	180.5433495	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H+NH4"	19.041099
"393876"	707.080418	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+Na"	22.989218
"755357"	1049.126018	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+Na"	22.989218
"1612096"	365.034818	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Na"	22.989218
"325413"	354.043847	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+H+Na"	23.996494
"713458"	525.066647	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+H+Na"	23.996494
"1475907"	183.021047	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H+Na"	23.996494
"1063804"	122.34979	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2H+Na"	25.00377
"1267674"	375.079086	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+CH3OH+H"	33.033486
"380413"	723.054358	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+K"	38.963158
"741773"	1065.099958	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+K"	38.963158
"1540665"	381.008758	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+K"	38.963158
"301001"	362.030817	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+H+K"	39.970434
"694523"	533.053617	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+H+K"	39.970434
"1446153"	191.008017	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H+K"	39.970434
"241321"	726.125026	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+ACN+H"	42.033826
"1224734"	384.079426	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+ACN+H"	42.033826
"1209862"	192.543351	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+ACN+2H"	43.041102
"202944"	729.06236	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+2Na-H"	44.97116
"641287"	1071.10796	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+2Na-H"	44.97116
"1146135"	387.01676	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2Na-H"	44.97116
"184440"	365.034818	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+2Na"	45.978436
"621082"	536.057618	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+2Na"	45.978436
"1125681"	194.012018	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2Na"	45.978436
"1408112"	129.677104	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H+2Na"	46.985712
"1439134"	389.058346	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H+HCOOH"	47.012746
"232108"	370.06784	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+3H2O+2H"	56.04448
"1521266"	403.11039	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+IsoProp+H"	61.06479
"417671"	373.021788	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+Na+K"	61.952376
"780855"	544.044588	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+Na+K"	61.952376
"1674999"	201.998988	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Na+K"	61.952376
"253135"	748.106968	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+ACN+Na"	64.015768
"1229854"	406.061368	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+ACN+Na"	64.015768
"1728195"	406.084893	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+NH4+HCOOH"	64.039293
"1191036"	137.004418	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+3Na"	68.967654
"1662751"	411.040288	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Na+HCOOH"	68.994688
"169248"	761.01024	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+2K-H"	76.91904
"609900"	1103.05584	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+2K-H"	76.91904
"1095136"	418.96464	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2K-H"	76.91904
"151586"	381.008758	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"2M+2K"	77.926316
"587866"	552.031558	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"3M+2K"	77.926316
"1071285"	209.985958	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2K"	77.926316
"1111793"	420.979192	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2K+H"	78.933592
"1346355"	421.066807	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+DMSO+H"	79.021207
"1015977"	425.105976	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2ACN+H"	83.060376
"1535191"	426.099608	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+IsoProp+Na+H"	84.054008
"998358"	213.056626	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+2ACN+2H"	84.067652
"1589580"	427.014228	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+K+HCOOH"	84.968628
"1420709"	457.045738	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+H+CF3COOH"	115.000138
"1161696"	233.569901	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+3ACN+2H"	125.094202
"1711856"	474.072285	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+NH4+CF3COOH"	132.026685
"1649327"	479.02768	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+Na+CF3COOH"	136.98208
"1586070"	495.00162	"C14432"	"Thiophanate-methyl;12-Di-(3-methoxycarbonyl-2-thioureido)benzene"	"C12H14N4O4S2"	"342.0456"	"M+K+CF3COOH"	152.95602
"809874"	223.0845	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M"	0
"976846"	204.06611	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-H2O-H"	-19.01839
"72743"	147.715724	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M-3H"	-3.021828
"504649"	222.077224	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M-3H"	-3.021828
"893387"	73.354224	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-3H"	-3.021828
"1150"	222.077224	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M-2H"	-2.014552
"444965"	333.619474	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M-2H"	-2.014552
"823860"	110.534974	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-2H"	-2.014552
"81664"	445.161724	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M-H"	-1.007276
"524506"	668.246224	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M-H"	-1.007276
"895862"	222.077224	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-H"	-1.007276
"54496"	462.188271	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M-2H+NH4"	16.019271
"496244"	685.272771	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M-2H+NH4"	16.019271
"869670"	239.103771	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-2H+NH4"	16.019271
"33317"	467.143666	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M-2H+Na"	20.974666
"480410"	690.228166	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M-2H+Na"	20.974666
"851654"	244.059166	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-2H+Na"	20.974666
"1620213"	244.059166	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Na-2H"	20.974666
"102092"	240.065563	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M-H+Cl"	33.962126
"539465"	351.607813	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M-H+Cl"	33.962126
"936260"	128.523313	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-H+Cl"	33.962126
"275913"	481.138402	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+Cl"	34.969402
"661892"	704.222902	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+Cl"	34.969402
"1276368"	258.053902	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Cl"	34.969402
"21841"	483.117606	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M-2H+K"	36.948606
"461765"	706.202106	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M-2H+K"	36.948606
"842845"	260.033106	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-2H+K"	36.948606
"1560867"	260.033106	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+K-2H"	36.948606
"949844"	268.082694	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-H+HCOOH"	44.998194
"370245"	491.167201	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+HCOOH-H"	44.998201
"346839"	505.182851	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+Hac-H"	59.013851
"1494213"	282.098351	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Hac-H"	59.013851
"960662"	290.064651	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-H+NaCOOH"	66.980151
"110661"	258.053902	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+2Cl"	69.938804
"551311"	369.596152	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+2Cl"	69.938804
"1024487"	146.511652	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2Cl"	69.938804
"1246626"	302.003385	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Br"	78.918885
"1308709"	304.059372	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Cl+HCOOH"	80.974872
"1324748"	326.041329	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Cl+NaCOOH"	102.956829
"922740"	336.070086	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M-H+CF3COOH"	112.985586
"1298353"	372.046764	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Cl+CF3COOH"	148.962264
"1377607"	188.071824	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H-2H2O"	-35.012676
"1387452"	206.0818	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H-H2O"	-17.0027
"291512"	447.176276	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+H"	1.007276
"678466"	670.260776	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+H"	1.007276
"1353720"	224.091776	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H"	1.007276
"128062"	224.091776	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+2H"	2.014552
"566291"	335.634026	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+2H"	2.014552
"1038612"	112.549526	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2H"	2.014552
"205051"	149.730276	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+3H"	3.021828
"650086"	224.091776	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+3H"	3.021828
"1170402"	75.368776	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+3H"	3.021828
"429669"	464.202823	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+NH4"	18.033823
"791389"	687.287323	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+NH4"	18.033823
"1683344"	241.118323	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+NH4"	18.033823
"334901"	232.6050495	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+H+NH4"	19.041099
"727324"	344.1472995	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+H+NH4"	19.041099
"1477859"	121.0627995	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H+NH4"	19.041099
"393747"	469.158218	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+Na"	22.989218
"757538"	692.242718	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+Na"	22.989218
"1612206"	246.073718	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Na"	22.989218
"325523"	235.082747	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+H+Na"	23.996494
"713568"	346.624997	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+H+Na"	23.996494
"1475774"	123.540497	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H+Na"	23.996494
"1057353"	82.69609	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2H+Na"	25.00377
"1267784"	256.117986	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+CH3OH+H"	33.033486
"389637"	485.132158	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+K"	38.963158
"745165"	708.216658	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+K"	38.963158
"1542116"	262.047658	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+K"	38.963158
"299047"	243.069717	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+H+K"	39.970434
"694997"	354.611967	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+H+K"	39.970434
"1448454"	131.527467	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H+K"	39.970434
"237059"	488.202826	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+ACN+H"	42.033826
"1224480"	265.118326	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+ACN+H"	42.033826
"1208976"	133.062801	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+ACN+2H"	43.041102
"202081"	491.14016	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+2Na-H"	44.97116
"643711"	714.22466	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+2Na-H"	44.97116
"1146493"	268.05566	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2Na-H"	44.97116
"186253"	246.073718	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+2Na"	45.978436
"626177"	357.615968	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+2Na"	45.978436
"1129317"	134.531468	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2Na"	45.978436
"1407859"	90.023404	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H+2Na"	46.985712
"1438151"	270.097246	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H+HCOOH"	47.012746
"230762"	251.10674	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+3H2O+2H"	56.04448
"1521376"	284.14929	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+IsoProp+H"	61.06479
"417781"	254.060688	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+Na+K"	61.952376
"782788"	365.602938	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+Na+K"	61.952376
"1676202"	142.518438	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Na+K"	61.952376
"252515"	510.184768	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+ACN+Na"	64.015768
"1229964"	287.100268	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+ACN+Na"	64.015768
"1728103"	287.123793	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+NH4+HCOOH"	64.039293
"1191511"	97.350718	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+3Na"	68.967654
"1662860"	292.079188	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Na+HCOOH"	68.994688
"168630"	523.08804	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+2K-H"	76.91904
"611467"	746.17254	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+2K-H"	76.91904
"1095611"	300.00354	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2K-H"	76.91904
"153886"	262.047658	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"2M+2K"	77.926316
"592352"	373.589908	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"3M+2K"	77.926316
"1073582"	150.505408	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2K"	77.926316
"1110082"	302.018092	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2K+H"	78.933592
"1349381"	302.105707	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+DMSO+H"	79.021207
"1017182"	306.144876	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2ACN+H"	83.060376
"1536035"	307.138508	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+IsoProp+Na+H"	84.054008
"1002117"	153.576076	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+2ACN+2H"	84.067652
"1596252"	308.053128	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+K+HCOOH"	84.968628
"1425194"	338.084638	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+H+CF3COOH"	115.000138
"1159862"	174.089351	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+3ACN+2H"	125.094202
"1711358"	355.111185	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+NH4+CF3COOH"	132.026685
"1649562"	360.06658	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+Na+CF3COOH"	136.98208
"1586180"	376.04052	"C14433"	"Bendiocarb;22-Dimethyl-13-benzodioxol-4-ol methylcarbamate"	"C11H13NO4"	"223.0845"	"M+K+CF3COOH"	152.95602
"806704"	323.0381	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M"	0
"974400"	304.01971	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-H2O-H"	-19.01839
"72853"	214.351457333333	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M-3H"	-3.021828
"506946"	322.030824	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M-3H"	-3.021828
"891310"	106.672090666667	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-3H"	-3.021828
"1139"	322.030824	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M-2H"	-2.014552
"445075"	483.549874	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M-2H"	-2.014552
"826156"	160.511774	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-2H"	-2.014552
"82867"	645.068924	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M-H"	-1.007276
"524616"	968.107024	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M-H"	-1.007276
"896460"	322.030824	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-H"	-1.007276
"48528"	662.095471	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M-2H+NH4"	16.019271
"496354"	985.133571	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M-2H+NH4"	16.019271
"869780"	339.057371	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-2H+NH4"	16.019271
"35493"	667.050866	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M-2H+Na"	20.974666
"481613"	990.088966	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M-2H+Na"	20.974666
"852857"	344.012766	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-2H+Na"	20.974666
"1622389"	344.012766	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Na-2H"	20.974666
"102202"	340.019163	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M-H+Cl"	33.962126
"539575"	501.538213	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M-H+Cl"	33.962126
"933090"	178.500113	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-H+Cl"	33.962126
"277116"	681.045602	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+Cl"	34.969402
"663338"	1004.083702	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+Cl"	34.969402
"1276479"	358.007502	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Cl"	34.969402
"21220"	683.024806	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M-2H+K"	36.948606
"461875"	1006.062906	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M-2H+K"	36.948606
"839677"	359.986706	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-2H+K"	36.948606
"1562071"	359.986706	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+K-2H"	36.948606
"951047"	368.036294	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-H+HCOOH"	44.998194
"373271"	691.074401	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+HCOOH-H"	44.998201
"352053"	705.090051	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+Hac-H"	59.013851
"1495415"	382.051951	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Hac-H"	59.013851
"961136"	390.018251	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-H+NaCOOH"	66.980151
"111500"	358.007502	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+2Cl"	69.938804
"552515"	519.526552	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+2Cl"	69.938804
"1023867"	196.488452	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2Cl"	69.938804
"1249653"	401.956985	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Br"	78.918885
"1309910"	404.012972	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Cl+HCOOH"	80.974872
"1325223"	425.994929	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Cl+NaCOOH"	102.956829
"923943"	436.023686	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M-H+CF3COOH"	112.985586
"1299557"	472.000364	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Cl+CF3COOH"	148.962264
"1377717"	288.025424	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H-2H2O"	-35.012676
"1394122"	306.0354	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H-H2O"	-17.0027
"291621"	647.083476	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+H"	1.007276
"677483"	970.121576	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+H"	1.007276
"1353830"	324.045376	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H"	1.007276
"127083"	324.045376	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+2H"	2.014552
"569560"	485.564426	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+2H"	2.014552
"1038358"	162.526326	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2H"	2.014552
"204678"	216.366009333333	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+3H"	3.021828
"649104"	324.045376	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+3H"	3.021828
"1163948"	108.686642666667	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+3H"	3.021828
"429411"	664.110023	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+NH4"	18.033823
"788218"	987.148123	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+NH4"	18.033823
"1682727"	341.071923	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+NH4"	18.033823
"332827"	332.5586495	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+H+NH4"	19.041099
"726340"	494.0776995	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+H+NH4"	19.041099
"1481254"	171.0395995	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H+NH4"	19.041099
"394100"	669.065418	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+Na"	22.989218
"759105"	992.103518	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+Na"	22.989218
"1611222"	346.027318	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Na"	22.989218
"324540"	335.036347	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+H+Na"	23.996494
"708211"	496.555397	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+H+Na"	23.996494
"1472968"	173.517297	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H+Na"	23.996494
"1057463"	116.013956666667	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2H+Na"	25.00377
"1266800"	356.071586	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+CH3OH+H"	33.033486
"387561"	685.039358	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+K"	38.963158
"745275"	1008.077458	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+K"	38.963158
"1541862"	362.001258	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+K"	38.963158
"299278"	343.023317	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+H+K"	39.970434
"698023"	504.542367	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+H+K"	39.970434
"1448564"	181.504267	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H+K"	39.970434
"238263"	688.110026	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+ACN+H"	42.033826
"1224585"	365.071926	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+ACN+H"	42.033826
"1208713"	183.039601	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+ACN+2H"	43.041102
"202676"	691.04736	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+2Na-H"	44.97116
"643821"	1014.08546	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+2Na-H"	44.97116
"1146481"	368.00926	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2Na-H"	44.97116
"187463"	346.027318	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+2Na"	45.978436
"625315"	507.546368	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+2Na"	45.978436
"1124809"	184.508268	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2Na"	45.978436
"1406145"	123.341270666667	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H+2Na"	46.985712
"1437167"	370.050846	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H+HCOOH"	47.012746
"234639"	351.06034	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+3H2O+2H"	56.04448
"1521486"	384.10289	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+IsoProp+H"	61.06479
"415704"	354.014288	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+Na+K"	61.952376
"781076"	515.533338	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+Na+K"	61.952376
"1676312"	192.495238	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Na+K"	61.952376
"251894"	710.091968	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+ACN+Na"	64.015768
"1225897"	387.053868	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+ACN+Na"	64.015768
"1726995"	387.077393	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+NH4+HCOOH"	64.039293
"1192717"	130.668584666667	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+3Na"	68.967654
"1660786"	392.032788	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Na+HCOOH"	68.994688
"166918"	722.99524	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+2K-H"	76.91904
"610483"	1046.03334	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+2K-H"	76.91904
"1095721"	399.95714	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2K-H"	76.91904
"153632"	362.001258	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"2M+2K"	77.926316
"591369"	523.520308	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"3M+2K"	77.926316
"1073692"	200.482208	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2K"	77.926316
"1113108"	401.971692	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2K+H"	78.933592
"1349127"	402.059307	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+DMSO+H"	79.021207
"1017292"	406.098476	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2ACN+H"	83.060376
"1538332"	407.092108	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+IsoProp+Na+H"	84.054008
"1002591"	203.552876	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+2ACN+2H"	84.067652
"1593082"	408.006728	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+K+HCOOH"	84.968628
"1426397"	438.038238	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+H+CF3COOH"	115.000138
"1161552"	224.066151	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+3ACN+2H"	125.094202
"1711225"	455.064785	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+NH4+CF3COOH"	132.026685
"1649830"	460.02018	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+Na+CF3COOH"	136.98208
"1586290"	475.99412	"C14434"	"EPN;O-Ethyl O-p-nitrophenyl phenylphosphonothioate"	"C14H14NO4PS"	"323.0381"	"M+K+CF3COOH"	152.95602
"813374"	252.0939	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M"	0
"976091"	233.07551	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"71870"	167.055324	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"509242"	251.086624	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"891420"	83.024024	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"1613"	251.086624	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"452840"	377.133574	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"822987"	125.039674	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"81884"	503.180524	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"524726"	755.274424	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"898152"	251.086624	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"49247"	520.207071	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"497557"	772.300971	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"866610"	268.113171	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"33417"	525.162466	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"481723"	777.256366	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"855151"	273.068566	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1622498"	273.068566	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"97935"	269.074963	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"538589"	395.121913	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"928821"	143.028013	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"276131"	539.157202	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"663084"	791.251102	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1277682"	287.063302	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"25704"	541.136406	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"461985"	793.230306	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"843067"	289.042506	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1561088"	289.042506	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"951157"	297.092094	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"372652"	549.186001	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"352527"	563.201651	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1495161"	311.107751	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"960150"	319.074051	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"112339"	287.063302	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"551895"	413.110252	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1022516"	161.016352	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1248669"	331.012785	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1308925"	333.068772	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1324968"	355.050729	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"918583"	365.079486	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1290184"	401.056164	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1369439"	217.081224	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1395327"	235.0912	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"291732"	505.195076	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"685248"	757.288976	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1356129"	253.101176	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H"	1.007276
"129017"	253.101176	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"568940"	379.148126	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1038223"	127.054226	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"205881"	169.069876	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"650306"	253.101176	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1164057"	85.038576	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"428792"	522.221623	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"790515"	774.315523	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1687941"	270.127723	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"332937"	261.6144495	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"726450"	387.6613995	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1481364"	135.5674995	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"393845"	527.177018	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"757758"	779.270918	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1610239"	275.083118	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"323556"	264.092147	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"712693"	390.139097	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1467611"	138.045197	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1057572"	92.36589	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1264724"	285.127386	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"386578"	543.150958	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"744292"	795.244858	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1540879"	291.057058	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+K"	38.963158
"298782"	272.079117	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"699227"	398.126067	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1449767"	146.032167	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"239466"	546.221626	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1223114"	294.127726	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1207363"	147.567501	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"201692"	549.15896	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"642348"	801.25286	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1143666"	297.06506	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"185496"	275.083118	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"621415"	401.130068	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1120547"	149.036168	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1404069"	99.693204	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1440557"	299.106646	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"232803"	280.11614	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1517220"	313.15869	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"414720"	283.070088	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"780822"	409.117038	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1674236"	157.023138	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"254194"	568.203568	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1229087"	316.109668	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1727103"	316.133193	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1192584"	107.020518	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1661624"	321.088588	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"167756"	581.10684	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"609135"	833.20074	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1094738"	329.01294	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"151191"	291.057058	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"589293"	417.104008	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1073802"	165.010108	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1112489"	331.027492	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1348508"	331.115107	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1015216"	335.154276	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1537349"	336.147908	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"1001972"	168.080776	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1592099"	337.062528	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1428694"	367.094038	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1160811"	188.594051	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1711456"	384.120585	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1646376"	389.07598	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1586400"	405.04992	"C14435"	"Benzoepyrene;12-Benzpyrene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"809111"	310.0251	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M"	0
"974989"	291.00671	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-H2O-H"	-19.01839
"66512"	205.676124	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M-3H"	-3.021828
"507164"	309.017824	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M-3H"	-3.021828
"886061"	102.334424	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-3H"	-3.021828
"2452"	309.017824	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M-2H"	-2.014552
"450763"	464.030374	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M-2H"	-2.014552
"825283"	154.005274	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-2H"	-2.014552
"81994"	619.042924	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M-H"	-1.007276
"524836"	929.068024	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M-H"	-1.007276
"898262"	309.017824	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-H"	-1.007276
"49357"	636.069471	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M-2H+NH4"	16.019271
"493293"	946.094571	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M-2H+NH4"	16.019271
"865626"	326.044371	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-2H+NH4"	16.019271
"33526"	641.024866	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M-2H+Na"	20.974666
"478553"	951.049966	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M-2H+Na"	20.974666
"854167"	330.999766	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-2H+Na"	20.974666
"1620422"	330.999766	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Na-2H"	20.974666
"96222"	327.006163	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M-H+Cl"	33.962126
"537606"	482.018713	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M-H+Cl"	33.962126
"930025"	171.993613	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-H+Cl"	33.962126
"272961"	655.019602	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+Cl"	34.969402
"661735"	965.044702	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+Cl"	34.969402
"1279979"	344.994502	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Cl"	34.969402
"21439"	656.998806	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M-2H+K"	36.948606
"462095"	967.023906	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M-2H+K"	36.948606
"836249"	346.973706	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-2H+K"	36.948606
"1556457"	346.973706	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+K-2H"	36.948606
"947987"	355.023294	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-H+HCOOH"	44.998194
"367295"	665.048401	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+HCOOH-H"	44.998201
"350085"	679.064051	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+Hac-H"	59.013851
"1494176"	369.038951	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Hac-H"	59.013851
"959897"	377.005251	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-H+NaCOOH"	66.980151
"112449"	344.994502	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+2Cl"	69.938804
"550547"	500.007052	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+2Cl"	69.938804
"1021451"	189.981952	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2Cl"	69.938804
"1250965"	388.943985	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Br"	78.918885
"1306849"	390.999972	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Cl+HCOOH"	80.974872
"1325443"	412.981929	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Cl+NaCOOH"	102.956829
"919786"	423.010686	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M-H+CF3COOH"	112.985586
"1289565"	458.987364	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Cl+CF3COOH"	148.962264
"1369186"	275.012424	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H-2H2O"	-35.012676
"1395437"	293.0224	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H-H2O"	-17.0027
"295122"	621.057476	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+H"	1.007276
"685358"	931.082576	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+H"	1.007276
"1360612"	311.032376	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H"	1.007276
"133500"	311.032376	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+2H"	2.014552
"567958"	466.044926	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+2H"	2.014552
"1042953"	156.019826	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2H"	2.014552
"206478"	207.690676	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+3H"	3.021828
"652605"	311.032376	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+3H"	3.021828
"1165260"	104.348976	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+3H"	3.021828
"431817"	638.084023	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+NH4"	18.033823
"791717"	948.109123	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+NH4"	18.033823
"1686955"	328.058923	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+NH4"	18.033823
"337419"	319.5456495	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+H+NH4"	19.041099
"726560"	474.5581995	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+H+NH4"	19.041099
"1481474"	164.5330995	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H+NH4"	19.041099
"393063"	643.039418	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+Na"	22.989218
"758961"	953.064518	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+Na"	22.989218
"1613628"	333.014318	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Na"	22.989218
"325852"	322.023347	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+H+Na"	23.996494
"713896"	477.035897	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+H+Na"	23.996494
"1472093"	167.010797	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H+Na"	23.996494
"1060960"	111.67629	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2H+Na"	25.00377
"1265927"	343.058586	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+CH3OH+H"	33.033486
"381219"	659.013358	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+K"	38.963158
"743304"	969.038458	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+K"	38.963158
"1541353"	348.988258	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+K"	38.963158
"300349"	330.010317	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+H+K"	39.970434
"698244"	485.022867	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+H+K"	39.970434
"1448784"	174.997767	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H+K"	39.970434
"242855"	662.084026	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+ACN+H"	42.033826
"1222495"	352.058926	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+ACN+H"	42.033826
"1207838"	176.533101	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+ACN+2H"	43.041102
"203141"	665.02136	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+2Na-H"	44.97116
"643836"	975.04646	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+2Na-H"	44.97116
"1146167"	354.99626	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2Na-H"	44.97116
"185607"	333.014318	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+2Na"	45.978436
"628405"	488.026868	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+2Na"	45.978436
"1119563"	178.001768	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2Na"	45.978436
"1408553"	119.003604	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H+2Na"	46.985712
"1437387"	357.037846	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H+HCOOH"	47.012746
"232913"	338.04734	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+3H2O+2H"	56.04448
"1516236"	371.08989	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+IsoProp+H"	61.06479
"414830"	341.001288	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+Na+K"	61.952376
"781297"	496.013838	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+Na+K"	61.952376
"1672159"	185.988738	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Na+K"	61.952376
"254668"	684.065968	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+ACN+Na"	64.015768
"1230290"	374.040868	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+ACN+Na"	64.015768
"1726848"	374.064393	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+NH4+HCOOH"	64.039293
"1192566"	126.330918	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+3Na"	68.967654
"1664282"	379.019788	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Na+HCOOH"	68.994688
"170412"	696.96924	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+2K-H"	76.91904
"608150"	1006.99434	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+2K-H"	76.91904
"1093025"	386.94414	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2K-H"	76.91904
"153851"	348.988258	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"2M+2K"	77.926316
"588308"	504.000808	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"3M+2K"	77.926316
"1073912"	193.975708	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2K"	77.926316
"1114300"	388.958692	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2K+H"	78.933592
"1348983"	389.046307	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+DMSO+H"	79.021207
"1018607"	393.085476	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2ACN+H"	83.060376
"1537095"	394.079108	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+IsoProp+Na+H"	84.054008
"1000989"	197.046376	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+2ACN+2H"	84.067652
"1592209"	394.993728	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+K+HCOOH"	84.968628
"1428804"	425.025238	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+H+CF3COOH"	115.000138
"1162260"	217.559651	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+3ACN+2H"	125.094202
"1711567"	442.051785	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+NH4+CF3COOH"	132.026685
"1649844"	447.00718	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+Na+CF3COOH"	136.98208
"1586510"	462.98112	"C14436"	"Edifenphos;EDDP;O-Ethyl-SS-diphenyl dithiophosphate"	"C14H15O2PS2"	"310.0251"	"M+K+CF3COOH"	152.95602
"810314"	166.9863	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M"	0
"980567"	147.96791	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-H2O-H"	-19.01839
"66622"	110.316924	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M-3H"	-3.021828
"506181"	165.979024	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M-3H"	-3.021828
"882161"	54.654824	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-3H"	-3.021828
"1104"	165.979024	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M-2H"	-2.014552
"447593"	249.472174	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M-2H"	-2.014552
"825395"	82.485874	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-2H"	-2.014552
"82104"	332.965324	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M-H"	-1.007276
"519112"	499.951624	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M-H"	-1.007276
"900560"	165.979024	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-H"	-1.007276
"50560"	349.991871	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M-2H+NH4"	16.019271
"487687"	516.978171	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M-2H+NH4"	16.019271
"864555"	183.005571	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-2H+NH4"	16.019271
"31933"	354.947266	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M-2H+Na"	20.974666
"471487"	521.933566	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M-2H+Na"	20.974666
"848654"	187.960966	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-2H+Na"	20.974666
"1620529"	187.960966	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Na-2H"	20.974666
"95235"	183.967363	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M-H+Cl"	33.962126
"534589"	267.460513	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M-H+Cl"	33.962126
"927082"	100.474213	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-H+Cl"	33.962126
"273071"	368.942002	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+Cl"	34.969402
"661602"	535.928302	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+Cl"	34.969402
"1278996"	201.955702	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Cl"	34.969402
"21914"	370.921206	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M-2H+K"	36.948606
"460381"	537.907506	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M-2H+K"	36.948606
"836359"	203.934906	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-2H+K"	36.948606
"1557660"	203.934906	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+K-2H"	36.948606
"948098"	211.984494	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-H+HCOOH"	44.998194
"367405"	378.970801	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+HCOOH-H"	44.998201
"349831"	392.986451	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+Hac-H"	59.013851
"1493110"	226.000151	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Hac-H"	59.013851
"960007"	233.966451	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-H+NaCOOH"	66.980151
"111221"	201.955702	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+2Cl"	69.938804
"550019"	285.448852	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+2Cl"	69.938804
"1021417"	118.462552	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2Cl"	69.938804
"1251075"	245.905185	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Br"	78.918885
"1309875"	247.961172	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Cl+HCOOH"	80.974872
"1323365"	269.943129	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Cl+NaCOOH"	102.956829
"912970"	279.971886	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M-H+CF3COOH"	112.985586
"1289667"	315.948564	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Cl+CF3COOH"	148.962264
"1368440"	131.973624	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H-2H2O"	-35.012676
"1392267"	149.9836	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H-H2O"	-17.0027
"289765"	334.979876	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+H"	1.007276
"684375"	501.966176	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+H"	1.007276
"1359627"	167.993576	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H"	1.007276
"132516"	167.993576	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+2H"	2.014552
"568797"	251.486726	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+2H"	2.014552
"1039783"	84.500426	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2H"	2.014552
"205857"	112.331476	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+3H"	3.021828
"647241"	167.993576	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+3H"	3.021828
"1162938"	56.669376	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+3H"	3.021828
"430833"	352.006423	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+NH4"	18.033823
"791828"	518.992723	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+NH4"	18.033823
"1687064"	185.020123	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+NH4"	18.033823
"334248"	176.5068495	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+H+NH4"	19.041099
"726670"	259.9999995	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+H+NH4"	19.041099
"1481584"	93.0136995	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H+NH4"	19.041099
"393335"	356.961818	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+Na"	22.989218
"759071"	523.948118	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+Na"	22.989218
"1611552"	189.975518	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Na"	22.989218
"321587"	178.984547	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+H+Na"	23.996494
"712913"	262.477697	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+H+Na"	23.996494
"1467828"	95.491397	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H+Na"	23.996494
"1057791"	63.99669	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2H+Na"	25.00377
"1263846"	200.019786	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+CH3OH+H"	33.033486
"380235"	372.935758	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+K"	38.963158
"742321"	539.922058	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+K"	38.963158
"1543285"	205.949458	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+K"	38.963158
"299488"	186.971517	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+H+K"	39.970434
"691912"	270.464667	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+H+K"	39.970434
"1445890"	103.478367	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H+K"	39.970434
"241872"	376.006426	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+ACN+H"	42.033826
"1220781"	209.020126	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+ACN+H"	42.033826
"1198464"	105.013701	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+ACN+2H"	43.041102
"194617"	378.94376	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+2Na-H"	44.97116
"634176"	545.93006	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+2Na-H"	44.97116
"1138778"	211.95746	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2Na-H"	44.97116
"176603"	189.975518	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+2Na"	45.978436
"627102"	273.468668	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+2Na"	45.978436
"1119673"	106.482368	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2Na"	45.978436
"1408663"	71.324004	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H+2Na"	46.985712
"1436404"	213.999046	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H+HCOOH"	47.012746
"225004"	195.00854	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+3H2O+2H"	56.04448
"1512336"	228.05109	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+IsoProp+H"	61.06479
"412753"	197.962488	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+Na+K"	61.952376
"779219"	281.455638	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+Na+K"	61.952376
"1670082"	114.469338	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Na+K"	61.952376
"252227"	397.988368	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+ACN+Na"	64.015768
"1229306"	231.002068	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+ACN+Na"	64.015768
"1728010"	231.025593	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+NH4+HCOOH"	64.039293
"1193040"	78.651318	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+3Na"	68.967654
"1663662"	235.980988	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Na+HCOOH"	68.994688
"170155"	410.89164	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+2K-H"	76.91904
"607526"	577.87794	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+2K-H"	76.91904
"1092036"	243.90534	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2K-H"	76.91904
"151046"	205.949458	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"2M+2K"	77.926316
"588418"	289.442608	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"3M+2K"	77.926316
"1074022"	122.456308	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2K"	77.926316
"1111616"	245.919892	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2K+H"	78.933592
"1349093"	246.007507	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+DMSO+H"	79.021207
"1019082"	250.046676	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2ACN+H"	83.060376
"1535382"	251.040308	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+IsoProp+Na+H"	84.054008
"1001464"	125.526976	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+2ACN+2H"	84.067652
"1592319"	251.954928	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+K+HCOOH"	84.968628
"1428914"	281.986438	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+H+CF3COOH"	115.000138
"1162128"	146.040251	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+3ACN+2H"	125.094202
"1712285"	299.012985	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+NH4+CF3COOH"	132.026685
"1649517"	303.96838	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+Na+CF3COOH"	136.98208
"1586620"	319.94232	"C14437"	"2-Mercaptobenzothiazole;Captax"	"C7H5NS2"	"166.9863"	"M+K+CF3COOH"	152.95602
"811518"	298.9341	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M"	0
"977395"	279.91571	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-H2O-H"	-19.01839
"66732"	198.282124	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M-3H"	-3.021828
"510664"	297.926824	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M-3H"	-3.021828
"884093"	98.637424	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-3H"	-3.021828
"1335"	297.926824	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M-2H"	-2.014552
"447703"	447.393874	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M-2H"	-2.014552
"825505"	148.459774	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-2H"	-2.014552
"83307"	596.860924	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M-H"	-1.007276
"519101"	895.795024	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M-H"	-1.007276
"900670"	297.926824	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-H"	-1.007276
"51763"	613.887471	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M-2H+NH4"	16.019271
"489258"	912.821571	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M-2H+NH4"	16.019271
"866937"	314.953371	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-2H+NH4"	16.019271
"31921"	618.842866	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M-2H+Na"	20.974666
"471764"	917.776966	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M-2H+Na"	20.974666
"849157"	319.908766	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-2H+Na"	20.974666
"1620639"	319.908766	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Na-2H"	20.974666
"99355"	315.915163	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M-H+Cl"	33.962126
"534899"	465.382213	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M-H+Cl"	33.962126
"927444"	166.448113	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-H+Cl"	33.962126
"272087"	632.837602	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+Cl"	34.969402
"663778"	931.771702	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+Cl"	34.969402
"1279834"	333.903502	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Cl"	34.969402
"23481"	634.816806	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M-2H+K"	36.948606
"461949"	933.750906	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M-2H+K"	36.948606
"839384"	335.882706	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-2H+K"	36.948606
"1562509"	335.882706	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+K-2H"	36.948606
"949301"	343.932294	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-H+HCOOH"	44.998194
"367879"	642.866401	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+HCOOH-H"	44.998201
"350669"	656.882051	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+Hac-H"	59.013851
"1494031"	357.947951	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Hac-H"	59.013851
"961939"	365.914251	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-H+NaCOOH"	66.980151
"111210"	333.903502	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+2Cl"	69.938804
"550077"	483.370552	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+2Cl"	69.938804
"1021464"	184.436452	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2Cl"	69.938804
"1250092"	377.852985	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Br"	78.918885
"1314723"	379.908972	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Cl+HCOOH"	80.974872
"1324203"	401.890929	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Cl+NaCOOH"	102.956829
"914902"	411.919686	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M-H+CF3COOH"	112.985586
"1290021"	447.896364	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Cl+CF3COOH"	148.962264
"1368065"	263.921424	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H-2H2O"	-35.012676
"1393470"	281.9314	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H-H2O"	-17.0027
"289875"	598.875476	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+H"	1.007276
"684485"	897.809576	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+H"	1.007276
"1359737"	299.941376	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H"	1.007276
"132626"	299.941376	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+2H"	2.014552
"571093"	449.408426	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+2H"	2.014552
"1040985"	150.474326	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2H"	2.014552
"206697"	200.296676	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+3H"	3.021828
"646621"	299.941376	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+3H"	3.021828
"1165114"	100.651976	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+3H"	3.021828
"428756"	615.902023	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+NH4"	18.033823
"790843"	914.836123	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+NH4"	18.033823
"1684620"	316.967923	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+NH4"	18.033823
"331195"	308.4546495	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+H+NH4"	19.041099
"724955"	457.9216995	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+H+NH4"	19.041099
"1478040"	158.9875995	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H+NH4"	19.041099
"394903"	620.857418	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+Na"	22.989218
"759181"	919.791518	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+Na"	22.989218
"1608379"	321.923318	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Na"	22.989218
"320601"	310.932347	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+H+Na"	23.996494
"709374"	460.399397	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+H+Na"	23.996494
"1469028"	161.465297	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H+Na"	23.996494
"1057170"	107.97929	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2H+Na"	25.00377
"1261766"	331.967586	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+CH3OH+H"	33.033486
"379248"	636.831358	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+K"	38.963158
"742429"	935.765458	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+K"	38.963158
"1542301"	337.897258	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+K"	38.963158
"300081"	318.919317	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+H+K"	39.970434
"692994"	468.386367	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+H+K"	39.970434
"1446690"	169.452267	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H+K"	39.970434
"240888"	639.902026	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+ACN+H"	42.033826
"1221984"	340.967926	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+ACN+H"	42.033826
"1198574"	170.987601	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+ACN+2H"	43.041102
"195820"	642.83936	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+2Na-H"	44.97116
"634286"	941.77346	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+2Na-H"	44.97116
"1139981"	343.90526	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2Na-H"	44.97116
"176713"	321.923318	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+2Na"	45.978436
"628185"	471.390368	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+2Na"	45.978436
"1123063"	172.456268	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2Na"	45.978436
"1409866"	115.306604	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H+2Na"	46.985712
"1436514"	345.946846	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H+HCOOH"	47.012746
"225114"	326.95634	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+3H2O+2H"	56.04448
"1511717"	359.99889	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+IsoProp+H"	61.06479
"412863"	329.910288	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+Na+K"	61.952376
"781515"	479.377338	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+Na+K"	61.952376
"1673471"	180.443238	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Na+K"	61.952376
"254523"	661.883968	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+ACN+Na"	64.015768
"1228688"	362.949868	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+ACN+Na"	64.015768
"1727068"	362.973393	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+NH4+HCOOH"	64.039293
"1192422"	122.633918	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+3Na"	68.967654
"1661585"	367.928788	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Na+HCOOH"	68.994688
"167351"	674.78724	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+2K-H"	76.91904
"604722"	973.72134	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+2K-H"	76.91904
"1093239"	375.85314	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2K-H"	76.91904
"146774"	337.897258	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"2M+2K"	77.926316
"587435"	487.364308	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"3M+2K"	77.926316
"1071946"	188.430208	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2K"	77.926316
"1112090"	377.867692	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2K+H"	78.933592
"1349449"	377.955307	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+DMSO+H"	79.021207
"1019071"	381.994476	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2ACN+H"	83.060376
"1534398"	382.988108	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+IsoProp+Na+H"	84.054008
"1001938"	191.500876	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+2ACN+2H"	84.067652
"1591336"	383.902728	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+K+HCOOH"	84.968628
"1428660"	413.934238	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+H+CF3COOH"	115.000138
"1162116"	212.014151	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+3ACN+2H"	125.094202
"1711423"	430.960785	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+NH4+CF3COOH"	132.026685
"1649708"	435.91618	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+Na+CF3COOH"	136.98208
"1586730"	451.89012	"C14438"	"Captan"	"C9H8Cl3NO2S"	"298.9341"	"M+K+CF3COOH"	152.95602
"810534"	266.1647	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M"	0
"978599"	247.14631	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-H2O-H"	-19.01839
"70123"	176.435857333333	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M-3H"	-3.021828
"507496"	265.157424	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M-3H"	-3.021828
"884202"	87.7142906666667	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-3H"	-3.021828
"4969"	265.157424	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M-2H"	-2.014552
"452186"	398.239774	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M-2H"	-2.014552
"828895"	132.075074	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-2H"	-2.014552
"85604"	531.322124	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M-H"	-1.007276
"521886"	797.486824	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M-H"	-1.007276
"904060"	265.157424	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-H"	-1.007276
"52967"	548.348671	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M-2H+NH4"	16.019271
"489489"	814.513371	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M-2H+NH4"	16.019271
"868140"	282.183971	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-2H+NH4"	16.019271
"33975"	553.304066	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M-2H+Na"	20.974666
"472076"	819.468766	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M-2H+Na"	20.974666
"849635"	287.139366	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-2H+Na"	20.974666
"1619898"	287.139366	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Na-2H"	20.974666
"94522"	283.145763	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M-H+Cl"	33.962126
"535126"	416.228113	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M-H+Cl"	33.962126
"927629"	150.063413	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-H+Cl"	33.962126
"267813"	567.298802	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+Cl"	34.969402
"664617"	833.463502	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+Cl"	34.969402
"1281403"	301.134102	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Cl"	34.969402
"25051"	569.278006	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M-2H+K"	36.948606
"462424"	835.442706	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M-2H+K"	36.948606
"840953"	303.113306	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-2H+K"	36.948606
"1561889"	303.113306	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+K-2H"	36.948606
"949410"	311.162894	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-H+HCOOH"	44.998194
"368718"	577.327601	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+HCOOH-H"	44.998201
"350780"	591.343251	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+Hac-H"	59.013851
"1494870"	325.178551	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Hac-H"	59.013851
"962413"	333.144851	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-H+NaCOOH"	66.980151
"111684"	301.134102	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+2Cl"	69.938804
"550062"	434.216452	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+2Cl"	69.938804
"1021492"	168.051752	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2Cl"	69.938804
"1252389"	345.083585	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Br"	78.918885
"1314833"	347.139572	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Cl+HCOOH"	80.974872
"1321759"	369.121529	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Cl+NaCOOH"	102.956829
"912820"	379.150286	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M-H+CF3COOH"	112.985586
"1289890"	415.126964	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Cl+CF3COOH"	148.962264
"1369508"	231.152024	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H-2H2O"	-35.012676
"1393578"	249.162	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H-H2O"	-17.0027
"288891"	533.336676	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+H"	1.007276
"678029"	799.501376	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+H"	1.007276
"1351825"	267.171976	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H"	1.007276
"132736"	267.171976	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+2H"	2.014552
"569016"	400.254326	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+2H"	2.014552
"1038178"	134.089626	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2H"	2.014552
"205104"	178.450409333333	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+3H"	3.021828
"646002"	267.171976	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+3H"	3.021828
"1164860"	89.7288426666667	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+3H"	3.021828
"429230"	550.363223	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+NH4"	18.033823
"790953"	816.527923	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+NH4"	18.033823
"1683637"	284.198523	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+NH4"	18.033823
"330694"	275.6852495	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+H+NH4"	19.041099
"723240"	408.7675995	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+H+NH4"	19.041099
"1477544"	142.6028995	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H+NH4"	19.041099
"393797"	555.318618	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+Na"	22.989218
"758198"	821.483318	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+Na"	22.989218
"1607758"	289.153918	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Na"	22.989218
"316699"	278.162947	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+H+Na"	23.996494
"709120"	411.245297	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+H+Na"	23.996494
"1465857"	145.080597	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H+Na"	23.996494
"1059103"	97.0561566666667	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2H+Na"	25.00377
"1264063"	299.198186	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+CH3OH+H"	33.033486
"379358"	571.292558	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+K"	38.963158
"740717"	837.457258	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+K"	38.963158
"1542412"	305.127858	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+K"	38.963158
"301774"	286.149917	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+H+K"	39.970434
"692374"	419.232267	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+H+K"	39.970434
"1446923"	153.067567	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H+K"	39.970434
"242091"	574.363226	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+ACN+H"	42.033826
"1223187"	308.198526	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+ACN+H"	42.033826
"1200505"	154.602901	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+ACN+2H"	43.041102
"198117"	577.30056	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+2Na-H"	44.97116
"635853"	843.46526	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+2Na-H"	44.97116
"1138999"	311.13586	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2Na-H"	44.97116
"177187"	289.153918	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+2Na"	45.978436
"627565"	422.236268	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+2Na"	45.978436
"1122080"	156.071568	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2Na"	45.978436
"1408883"	104.383470666667	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H+2Na"	46.985712
"1439904"	313.177446	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H+HCOOH"	47.012746
"225224"	294.18694	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+3H2O+2H"	56.04448
"1513285"	327.22949	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+IsoProp+H"	61.06479
"412973"	297.140888	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+Na+K"	61.952376
"780532"	430.223238	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+Na+K"	61.952376
"1674674"	164.058538	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Na+K"	61.952376
"256820"	596.345168	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+ACN+Na"	64.015768
"1230621"	330.180468	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+ACN+Na"	64.015768
"1726448"	330.203993	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+NH4+HCOOH"	64.039293
"1191073"	111.710784666667	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+3Na"	68.967654
"1661695"	335.159388	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Na+HCOOH"	68.994688
"166003"	609.24844	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+2K-H"	76.91904
"604467"	875.41314	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+2K-H"	76.91904
"1090071"	343.08374	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2K-H"	76.91904
"144699"	305.127858	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"2M+2K"	77.926316
"588630"	438.210208	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"3M+2K"	77.926316
"1074242"	172.045508	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2K"	77.926316
"1111836"	345.098292	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2K+H"	78.933592
"1348707"	345.185907	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+DMSO+H"	79.021207
"1017844"	349.225076	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2ACN+H"	83.060376
"1534508"	350.218708	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+IsoProp+Na+H"	84.054008
"999132"	175.116176	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+2ACN+2H"	84.067652
"1593632"	351.133328	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+K+HCOOH"	84.968628
"1426947"	381.164838	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+H+CF3COOH"	115.000138
"1162226"	195.629451	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+3ACN+2H"	125.094202
"1710804"	398.191385	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+NH4+CF3COOH"	132.026685
"1649369"	403.14678	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+Na+CF3COOH"	136.98208
"1586840"	419.12072	"C14439"	"Tributyl phosphate;TBP"	"C12H27O4P"	"266.1647"	"M+K+CF3COOH"	152.95602
"816111"	88.0524	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M"	0
"984176"	69.03401	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"76793"	57.694324	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"514166"	87.045124	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"885406"	28.343524	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"5079"	87.045124	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"455091"	131.071324	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"830098"	43.018924	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"88994"	175.097524	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"521996"	263.149924	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"906357"	87.045124	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"53077"	192.124071	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"490450"	280.176471	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"865454"	104.071671	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"33235"	197.079466	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"472186"	285.131866	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"850354"	109.027066	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1620860"	109.027066	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"96295"	105.033463	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"534277"	149.059663	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"927176"	61.007263	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"267518"	211.074202	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"663634"	299.126602	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1283699"	123.021802	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"27348"	213.053406	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"465815"	301.105806	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"843616"	125.001006	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1563823"	125.001006	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"950613"	133.050594	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"369921"	221.103001	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"352712"	235.118651	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1494982"	147.066251	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"961067"	155.032551	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"113618"	123.021802	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"550500"	167.048002	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1022335"	78.995602	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1253229"	166.971285	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1317859"	169.027272	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1323694"	191.009229	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"912075"	201.037986	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1289027"	237.014664	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1369255"	53.039724	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1395875"	71.0497	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"290094"	177.112076	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"680327"	265.164476	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1352301"	89.059676	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"126402"	89.059676	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"567301"	133.085876	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1040108"	45.033476	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"204971"	59.708876	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"648663"	89.059676	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1166064"	30.358076	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"429340"	194.138623	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"790334"	282.191023	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1683747"	106.086223	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"330004"	97.5729495	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"723012"	141.5991495	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1477053"	53.5467495	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"394031"	199.094018	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"754264"	287.146418	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1603363"	111.041618	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"317530"	100.050647	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"709594"	144.076847	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1467060"	56.024447	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1059213"	37.68539	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1264173"	121.085886	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"380562"	215.067958	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"740458"	303.120358	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1541429"	127.015558	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"301884"	108.037617	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"697589"	152.063817	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1450314"	64.011417	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"244387"	218.138626	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1222204"	130.086226	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1201344"	65.546751	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"198227"	221.07596	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"640700"	309.12836	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1141296"	133.02356	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"182400"	111.041618	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"628041"	155.067818	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1127654"	67.015418	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1412271"	45.012704	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1437827"	135.065146	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"223511"	116.07464	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1512301"	149.11719	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"413083"	119.028588	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"780642"	163.054788	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1676972"	75.002388	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"260210"	240.120568	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1234012"	152.068168	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1727898"	152.091693	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1190453"	52.340018	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1661076"	157.047088	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"166111"	253.02384	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"605670"	341.07624	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1092368"	164.97144	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"146996"	127.015558	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"588740"	171.041758	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1072159"	82.989358	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1104280"	166.985992	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1349424"	167.073607	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1019049"	171.112776	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1536076"	172.106408	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"1002521"	86.060026	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1593743"	173.021028	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1424871"	203.052538	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1159541"	106.573301	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1710914"	220.079085	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1649483"	225.03448	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1586950"	241.00842	"C14440"	"14-Dioxane;p-Dioxane"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"807474"	284.1412	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M"	0
"981007"	265.12281	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-H2O-H"	-19.01839
"73623"	188.420190666667	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M-3H"	-3.021828
"509902"	283.133924	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M-3H"	-3.021828
"882236"	93.7064573333333	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-3H"	-3.021828
"4096"	283.133924	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M-2H"	-2.014552
"454594"	425.204524	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M-2H"	-2.014552
"831911"	141.063324	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-2H"	-2.014552
"89104"	567.275124	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M-H"	-1.007276
"528667"	851.416324	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M-H"	-1.007276
"906469"	283.133924	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-H"	-1.007276
"56468"	584.301671	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M-2H+NH4"	16.019271
"494935"	868.442871	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M-2H+NH4"	16.019271
"866173"	300.160471	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-2H+NH4"	16.019271
"32252"	589.257066	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M-2H+Na"	20.974666
"472054"	873.398266	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M-2H+Na"	20.974666
"848606"	305.115866	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-2H+Na"	20.974666
"1619877"	305.115866	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Na-2H"	20.974666
"94662"	301.122263	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M-H+Cl"	33.962126
"534453"	443.192863	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M-H+Cl"	33.962126
"927199"	159.051663	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-H+Cl"	33.962126
"267189"	603.251802	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+Cl"	34.969402
"663744"	887.393002	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+Cl"	34.969402
"1284902"	319.110602	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Cl"	34.969402
"28550"	605.231006	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M-2H+K"	36.948606
"467019"	889.372206	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M-2H+K"	36.948606
"845913"	321.089806	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-2H+K"	36.948606
"1566120"	321.089806	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+K-2H"	36.948606
"950723"	329.139394	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-H+HCOOH"	44.998194
"366751"	613.280601	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+HCOOH-H"	44.998201
"350635"	627.296251	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+Hac-H"	59.013851
"1497280"	343.155051	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Hac-H"	59.013851
"962636"	351.121351	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-H+NaCOOH"	66.980151
"113364"	319.110602	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+2Cl"	69.938804
"550054"	461.181202	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+2Cl"	69.938804
"1021840"	177.040002	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2Cl"	69.938804
"1252610"	363.060085	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Br"	78.918885
"1315783"	365.116072	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Cl+HCOOH"	80.974872
"1327086"	387.098029	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Cl+NaCOOH"	102.956829
"913037"	397.126786	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M-H+CF3COOH"	112.985586
"1288731"	433.103464	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Cl+CF3COOH"	148.962264
"1368272"	249.128524	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H-2H2O"	-35.012676
"1383948"	267.1385	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H-H2O"	-17.0027
"289111"	569.289676	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+H"	1.007276
"682624"	853.430876	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+H"	1.007276
"1356785"	285.148476	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H"	1.007276
"126756"	285.148476	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+2H"	2.014552
"569235"	427.219076	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+2H"	2.014552
"1042406"	143.077876	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2H"	2.014552
"210307"	190.434742666667	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+3H"	3.021828
"647681"	285.148476	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+3H"	3.021828
"1169090"	95.7210093333334	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+3H"	3.021828
"428356"	586.316223	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+NH4"	18.033823
"788620"	870.457423	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+NH4"	18.033823
"1684220"	302.175023	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+NH4"	18.033823
"330146"	293.6617495	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+H+NH4"	19.041099
"724557"	435.7323495	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+H+NH4"	19.041099
"1477133"	151.5911495	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H+NH4"	19.041099
"392873"	591.271618	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+Na"	22.989218
"754523"	875.412818	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+Na"	22.989218
"1603712"	307.130418	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Na"	22.989218
"314843"	296.139447	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+H+Na"	23.996494
"708118"	438.210047	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+H+Na"	23.996494
"1461648"	154.068847	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H+Na"	23.996494
"1057498"	103.048323333333	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2H+Na"	25.00377
"1257390"	317.174686	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+CH3OH+H"	33.033486
"377158"	607.245558	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+K"	38.963158
"738824"	891.386758	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+K"	38.963158
"1541538"	323.104358	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+K"	38.963158
"300901"	304.126417	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+H+K"	39.970434
"693321"	446.197017	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+H+K"	39.970434
"1449330"	162.055817	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H+K"	39.970434
"237931"	610.316226	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+ACN+H"	42.033826
"1218298"	326.175026	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+ACN+H"	42.033826
"1203278"	163.591151	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+ACN+2H"	43.041102
"202347"	613.25356	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+2Na-H"	44.97116
"643001"	897.39476	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+2Na-H"	44.97116
"1142132"	329.11236	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2Na-H"	44.97116
"183603"	307.130418	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+2Na"	45.978436
"627296"	449.201018	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+2Na"	45.978436
"1123391"	165.059818	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2Na"	45.978436
"1408008"	110.375637333333	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H+2Na"	46.985712
"1439030"	331.153946	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H+HCOOH"	47.012746
"223256"	312.16344	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+3H2O+2H"	56.04448
"1512409"	345.20599	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+IsoProp+H"	61.06479
"413190"	315.117388	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+Na+K"	61.952376
"774188"	457.187988	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+Na+K"	61.952376
"1670517"	173.046788	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Na+K"	61.952376
"259227"	632.298168	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+ACN+Na"	64.015768
"1228654"	348.156968	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+ACN+Na"	64.015768
"1723016"	348.180493	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+NH4+HCOOH"	64.039293
"1187278"	117.702951333333	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+3Na"	68.967654
"1658262"	353.135888	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Na+HCOOH"	68.994688
"165124"	645.20144	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+2K-H"	76.91904
"602499"	929.34264	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+2K-H"	76.91904
"1090290"	361.06024	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2K-H"	76.91904
"148197"	323.104358	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"2M+2K"	77.926316
"586664"	465.174958	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"3M+2K"	77.926316
"1070083"	181.033758	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2K"	77.926316
"1101104"	363.074792	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2K+H"	78.933592
"1347343"	363.162407	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+DMSO+H"	79.021207
"1019153"	367.201576	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2ACN+H"	83.060376
"1537276"	368.195208	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+IsoProp+Na+H"	84.054008
"993881"	184.104426	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+2ACN+2H"	84.067652
"1598227"	369.109828	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+K+HCOOH"	84.968628
"1428992"	399.141338	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+H+CF3COOH"	115.000138
"1159648"	204.617701	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+3ACN+2H"	125.094202
"1707010"	416.167885	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+NH4+CF3COOH"	132.026685
"1636098"	421.12328	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+Na+CF3COOH"	136.98208
"1574301"	437.09722	"C14441"	"16-Ketoestrone;3-Hydroxy-135(10)-estratriene-1617-dione"	"C18H20O3"	"284.1412"	"M+K+CF3COOH"	152.95602
"809771"	277.0174	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M"	0
"981116"	257.99901	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-H2O-H"	-19.01839
"70452"	183.670990666667	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M-3H"	-3.021828
"510012"	276.010124	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M-3H"	-3.021828
"884532"	91.3318573333333	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-3H"	-3.021828
"3113"	276.010124	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M-2H"	-2.014552
"453976"	414.518824	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M-2H"	-2.014552
"829954"	137.501424	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-2H"	-2.014552
"85934"	553.027524	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M-H"	-1.007276
"529871"	830.044924	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M-H"	-1.007276
"908401"	276.010124	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-H"	-1.007276
"56578"	570.054071	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M-2H+NH4"	16.019271
"496138"	847.071471	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M-2H+NH4"	16.019271
"867376"	293.036671	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-2H+NH4"	16.019271
"34185"	575.009466	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M-2H+Na"	20.974666
"474838"	852.026866	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M-2H+Na"	20.974666
"851547"	297.992066	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-2H+Na"	20.974666
"1619987"	297.992066	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Na-2H"	20.974666
"94772"	293.998463	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M-H+Cl"	33.962126
"534408"	432.507163	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M-H+Cl"	33.962126
"927317"	155.489763	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-H+Cl"	33.962126
"267196"	589.004202	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+Cl"	34.969402
"660680"	866.021602	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+Cl"	34.969402
"1286593"	311.986802	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Cl"	34.969402
"29512"	590.983406	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M-2H+K"	36.948606
"467129"	868.000806	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M-2H+K"	36.948606
"847116"	313.966006	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-2H+K"	36.948606
"1566233"	313.966006	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+K-2H"	36.948606
"949740"	322.015594	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-H+HCOOH"	44.998194
"366861"	599.033001	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+HCOOH-H"	44.998201
"349652"	613.048651	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+Hac-H"	59.013851
"1495204"	336.031251	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Hac-H"	59.013851
"964933"	343.997551	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-H+NaCOOH"	66.980151
"113838"	311.986802	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+2Cl"	69.938804
"550236"	450.495502	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+2Cl"	69.938804
"1021585"	173.478102	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2Cl"	69.938804
"1254543"	355.936285	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Br"	78.918885
"1315164"	357.992272	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Cl+HCOOH"	80.974872
"1329383"	379.974229	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Cl+NaCOOH"	102.956829
"911429"	390.002986	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M-H+CF3COOH"	112.985586
"1289859"	425.979664	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Cl+CF3COOH"	148.962264
"1367180"	242.004724	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H-2H2O"	-35.012676
"1383695"	260.0147	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H-H2O"	-17.0027
"291407"	555.042076	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+H"	1.007276
"682734"	832.059476	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+H"	1.007276
"1354707"	278.024676	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H"	1.007276
"126052"	278.024676	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+2H"	2.014552
"569344"	416.533376	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+2H"	2.014552
"1040328"	139.515976	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2H"	2.014552
"212603"	185.685542666667	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+3H"	3.021828
"651071"	278.024676	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+3H"	3.021828
"1170289"	93.3464093333333	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+3H"	3.021828
"428466"	572.068623	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+NH4"	18.033823
"790553"	849.086023	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+NH4"	18.033823
"1684332"	295.051223	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+NH4"	18.033823
"330299"	286.5379495	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+H+NH4"	19.041099
"724059"	425.0466495	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+H+NH4"	19.041099
"1477384"	148.0292495	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H+NH4"	19.041099
"393881"	577.024018	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+Na"	22.989218
"755118"	854.041418	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+Na"	22.989218
"1604066"	300.006618	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Na"	22.989218
"314956"	289.015647	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+H+Na"	23.996494
"709807"	427.524347	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+H+Na"	23.996494
"1461840"	150.506947	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H+Na"	23.996494
"1052898"	100.673723333333	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2H+Na"	25.00377
"1257542"	310.050886	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+CH3OH+H"	33.033486
"378590"	592.997958	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+K"	38.963158
"739587"	870.015358	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+K"	38.963158
"1543834"	315.980558	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+K"	38.963158
"301010"	297.002617	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+H+K"	39.970434
"695620"	435.511317	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+H+K"	39.970434
"1451628"	158.493917	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H+K"	39.970434
"239137"	596.068626	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+ACN+H"	42.033826
"1219137"	319.051226	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+ACN+H"	42.033826
"1203388"	160.029251	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+ACN+2H"	43.041102
"200635"	599.00596	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+2Na-H"	44.97116
"641289"	876.02336	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+2Na-H"	44.97116
"1141513"	321.98856	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2Na-H"	44.97116
"183713"	300.006618	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+2Na"	45.978436
"621087"	438.515318	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+2Na"	45.978436
"1127874"	161.497918	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2Na"	45.978436
"1407024"	108.001037333333	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H+2Na"	46.985712
"1435858"	324.030146	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H+HCOOH"	47.012746
"225551"	305.03964	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+3H2O+2H"	56.04448
"1512884"	338.08219	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+IsoProp+H"	61.06479
"414394"	307.993588	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+Na+K"	61.952376
"775391"	446.502288	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+Na+K"	61.952376
"1669534"	169.484888	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Na+K"	61.952376
"262617"	618.050568	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+ACN+Na"	64.015768
"1227670"	341.033168	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+ACN+Na"	64.015768
"1723130"	341.056693	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+NH4+HCOOH"	64.039293
"1184838"	115.328351333333	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+3Na"	68.967654
"1658372"	346.012088	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Na+HCOOH"	68.994688
"165234"	630.95384	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+2K-H"	76.91904
"602609"	907.97124	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+2K-H"	76.91904
"1089308"	353.93644	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2K-H"	76.91904
"149401"	315.980558	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"2M+2K"	77.926316
"590055"	454.489258	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"3M+2K"	77.926316
"1074567"	177.471858	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2K"	77.926316
"1103403"	355.950992	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2K+H"	78.933592
"1347454"	356.038607	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+DMSO+H"	79.021207
"1019627"	360.077776	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2ACN+H"	83.060376
"1536293"	361.071408	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+IsoProp+Na+H"	84.054008
"992898"	180.542526	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+2ACN+2H"	84.067652
"1597244"	361.986028	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+K+HCOOH"	84.968628
"1426186"	392.017538	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+H+CF3COOH"	115.000138
"1159761"	201.055801	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+3ACN+2H"	125.094202
"1709308"	409.044085	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+NH4+CF3COOH"	132.026685
"1642771"	413.99948	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+Na+CF3COOH"	136.98208
"1572224"	429.97342	"C14442"	"Fenitrothion;OO-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate;MEP"	"C9H12NO5PS"	"277.0174"	"M+K+CF3COOH"	152.95602
"807694"	212.1313	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M"	0
"977946"	193.11291	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-H2O-H"	-19.01839
"65095"	140.413590666667	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M-3H"	-3.021828
"506842"	211.124024	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M-3H"	-3.021828
"883549"	69.7031573333333	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-3H"	-3.021828
"3223"	211.124024	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M-2H"	-2.014552
"455301"	317.189674	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M-2H"	-2.014552
"830428"	105.058374	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-2H"	-2.014552
"86044"	423.255324	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M-H"	-1.007276
"531803"	635.386624	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M-H"	-1.007276
"908511"	211.124024	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-H"	-1.007276
"54501"	440.281871	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M-2H+NH4"	16.019271
"495155"	652.413171	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M-2H+NH4"	16.019271
"865783"	228.150571	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-2H+NH4"	16.019271
"35388"	445.237266	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M-2H+Na"	20.974666
"474948"	657.368566	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M-2H+Na"	20.974666
"849468"	233.105966	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-2H+Na"	20.974666
"1619245"	233.105966	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Na-2H"	20.974666
"94923"	229.112363	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M-H+Cl"	33.962126
"534804"	335.178013	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M-H+Cl"	33.962126
"927877"	123.046713	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-H+Cl"	33.962126
"267765"	459.232002	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+Cl"	34.969402
"661401"	671.363302	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+Cl"	34.969402
"1284028"	247.100702	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Cl"	34.969402
"27677"	461.211206	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M-2H+K"	36.948606
"462865"	673.342506	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M-2H+K"	36.948606
"838479"	249.079906	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-2H+K"	36.948606
"1560874"	249.079906	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+K-2H"	36.948606
"948756"	257.129494	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-H+HCOOH"	44.998194
"364055"	469.260801	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+HCOOH-H"	44.998201
"347329"	483.276451	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+Hac-H"	59.013851
"1494581"	271.145151	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Hac-H"	59.013851
"962127"	279.111451	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-H+NaCOOH"	66.980151
"111760"	247.100702	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+2Cl"	69.938804
"550259"	353.166352	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+2Cl"	69.938804
"1022422"	141.035052	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2Cl"	69.938804
"1252829"	291.050185	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Br"	78.918885
"1310900"	293.106172	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Cl+HCOOH"	80.974872
"1330586"	315.088129	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Cl+NaCOOH"	102.956829
"913257"	325.116886	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M-H+CF3COOH"	112.985586
"1291063"	361.093564	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Cl+CF3COOH"	148.962264
"1368250"	177.118624	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H-2H2O"	-35.012676
"1384532"	195.1286	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H-H2O"	-17.0027
"284950"	425.269876	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+H"	1.007276
"679564"	637.401176	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+H"	1.007276
"1354817"	213.138576	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H"	1.007276
"128070"	213.138576	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+2H"	2.014552
"570548"	319.204226	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+2H"	2.014552
"1041532"	107.072926	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2H"	2.014552
"211620"	142.428142666667	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+3H"	3.021828
"652273"	213.138576	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+3H"	3.021828
"1172586"	71.7177093333333	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+3H"	3.021828
"426754"	442.296423	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+NH4"	18.033823
"788841"	654.427723	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+NH4"	18.033823
"1684443"	230.165123	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+NH4"	18.033823
"331626"	221.6518495	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+H+NH4"	19.041099
"725141"	327.7174995	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+H+NH4"	19.041099
"1477375"	115.5861995	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H+NH4"	19.041099
"393994"	447.251818	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+Na"	22.989218
"754986"	659.383118	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+Na"	22.989218
"1606000"	235.120518	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Na"	22.989218
"316039"	224.129547	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+H+Na"	23.996494
"711375"	330.195197	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+H+Na"	23.996494
"1462765"	118.063897	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H+Na"	23.996494
"1053338"	79.0450233333333	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2H+Na"	25.00377
"1257568"	245.164786	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+CH3OH+H"	33.033486
"377850"	463.225758	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+K"	38.963158
"739699"	675.357058	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+K"	38.963158
"1545038"	251.094458	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+K"	38.963158
"301483"	232.116517	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+H+K"	39.970434
"694270"	338.182167	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+H+K"	39.970434
"1446270"	126.050867	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H+K"	39.970434
"236087"	466.296426	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+ACN+H"	42.033826
"1220340"	254.165126	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+ACN+H"	42.033826
"1204591"	127.586201	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+ACN+2H"	43.041102
"201110"	469.23376	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+2Na-H"	44.97116
"641764"	681.36506	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+2Na-H"	44.97116
"1141623"	257.10246	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2Na-H"	44.97116
"183823"	235.120518	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+2Na"	45.978436
"617917"	341.186168	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+2Na"	45.978436
"1126890"	129.054868	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2Na"	45.978436
"1406040"	86.3723373333333	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H+2Na"	46.985712
"1437060"	259.144046	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H+HCOOH"	47.012746
"224568"	240.15354	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+3H2O+2H"	56.04448
"1511535"	273.19609	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+IsoProp+H"	61.06479
"412317"	243.107488	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+Na+K"	61.952376
"776594"	349.173138	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+Na+K"	61.952376
"1670737"	137.041838	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Na+K"	61.952376
"260540"	488.278368	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+ACN+Na"	64.015768
"1229966"	276.147068	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+ACN+Na"	64.015768
"1723604"	276.170593	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+NH4+HCOOH"	64.039293
"1185312"	93.6996513333333	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+3Na"	68.967654
"1659575"	281.125988	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Na+HCOOH"	68.994688
"165344"	501.18164	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+2K-H"	76.91904
"602719"	713.31294	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+2K-H"	76.91904
"1090873"	289.05034	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2K-H"	76.91904
"147324"	251.094458	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"2M+2K"	77.926316
"587979"	357.160108	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"3M+2K"	77.926316
"1075770"	145.028808	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2K"	77.926316
"1104606"	291.064892	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2K+H"	78.933592
"1343186"	291.152507	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+DMSO+H"	79.021207
"1018278"	295.191676	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2ACN+H"	83.060376
"1535309"	296.185308	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+IsoProp+Na+H"	84.054008
"995194"	148.099476	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+2ACN+2H"	84.067652
"1597354"	297.099928	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+K+HCOOH"	84.968628
"1428482"	327.131438	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+H+CF3COOH"	115.000138
"1159870"	168.612751	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+3ACN+2H"	125.094202
"1707232"	344.157985	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+NH4+CF3COOH"	132.026685
"1642881"	349.11338	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+Na+CF3COOH"	136.98208
"1573427"	365.08732	"C14443"	"33-Dimethylbenzidine;33-Dimethyl-44-diaminobiphenyl;o-Tolidine"	"C14H16N2"	"212.1313"	"M+K+CF3COOH"	152.95602
"813271"	223.0633	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M"	0
"978056"	204.04491	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-H2O-H"	-19.01839
"70672"	147.701590666667	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M-3H"	-3.021828
"508046"	222.056024	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M-3H"	-3.021828
"885846"	73.3471573333333	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-3H"	-3.021828
"4426"	222.056024	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M-2H"	-2.014552
"455169"	333.587674	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M-2H"	-2.014552
"832607"	110.524374	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-2H"	-2.014552
"86154"	445.119324	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M-H"	-1.007276
"533617"	668.182624	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M-H"	-1.007276
"908986"	222.056024	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-H"	-1.007276
"54611"	462.145871	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M-2H+NH4"	16.019271
"494171"	685.209171	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M-2H+NH4"	16.019271
"865164"	239.082571	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-2H+NH4"	16.019271
"34526"	467.101266	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M-2H+Na"	20.974666
"473115"	690.164566	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M-2H+Na"	20.974666
"849456"	244.037966	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-2H+Na"	20.974666
"1620208"	244.037966	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Na-2H"	20.974666
"95396"	240.044363	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M-H+Cl"	33.962126
"535200"	351.576013	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M-H+Cl"	33.962126
"929081"	128.512713	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-H+Cl"	33.962126
"268119"	481.096002	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+Cl"	34.969402
"660537"	704.159302	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+Cl"	34.969402
"1284136"	258.032702	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Cl"	34.969402
"26692"	483.075206	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M-2H+K"	36.948606
"465162"	706.138506	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M-2H+K"	36.948606
"839685"	260.011906	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-2H+K"	36.948606
"1560984"	260.011906	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+K-2H"	36.948606
"946679"	268.061494	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-H+HCOOH"	44.998194
"363069"	491.124801	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+HCOOH-H"	44.998201
"350967"	505.140451	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+Hac-H"	59.013851
"1495059"	282.077151	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Hac-H"	59.013851
"962967"	290.043451	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-H+NaCOOH"	66.980151
"111506"	258.032702	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+2Cl"	69.938804
"550814"	369.564352	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+2Cl"	69.938804
"1021922"	146.501052	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2Cl"	69.938804
"1252939"	301.982185	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Br"	78.918885
"1311010"	304.038172	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Cl+HCOOH"	80.974872
"1332884"	326.020129	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Cl+NaCOOH"	102.956829
"911504"	336.048886	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M-H+CF3COOH"	112.985586
"1290080"	372.025564	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Cl+CF3COOH"	148.962264
"1368240"	188.050624	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H-2H2O"	-35.012676
"1383915"	206.0606	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H-H2O"	-17.0027
"285060"	447.133876	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+H"	1.007276
"681860"	670.197176	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+H"	1.007276
"1352741"	224.070576	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H"	1.007276
"130003"	224.070576	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+2H"	2.014552
"571751"	335.602226	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+2H"	2.014552
"1042737"	112.538926	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2H"	2.014552
"212824"	149.716142666667	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+3H"	3.021828
"650197"	224.070576	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+3H"	3.021828
"1169417"	75.3617093333333	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+3H"	3.021828
"426013"	464.160423	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+NH4"	18.033823
"787493"	687.223723	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+NH4"	18.033823
"1683094"	241.097123	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+NH4"	18.033823
"330553"	232.5838495	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+H+NH4"	19.041099
"723064"	344.1154995	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+H+NH4"	19.041099
"1477729"	121.0521995	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H+NH4"	19.041099
"394223"	469.115818	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+Na"	22.989218
"756919"	692.179118	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+Na"	22.989218
"1604288"	246.052518	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Na"	22.989218
"316877"	235.061547	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+H+Na"	23.996494
"710027"	346.593197	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+H+Na"	23.996494
"1462273"	123.529897	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H+Na"	23.996494
"1055274"	82.6890233333333	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2H+Na"	25.00377
"1257561"	256.096786	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+CH3OH+H"	33.033486
"377271"	485.089758	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+K"	38.963158
"739801"	708.153058	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+K"	38.963158
"1544056"	262.026458	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+K"	38.963158
"302324"	243.048517	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+H+K"	39.970434
"695837"	354.580167	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+H+K"	39.970434
"1446741"	131.516867	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H+K"	39.970434
"239355"	488.160426	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+ACN+H"	42.033826
"1219721"	265.097126	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+ACN+H"	42.033826
"1202514"	133.052201	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+ACN+2H"	43.041102
"199397"	491.09776	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+2Na-H"	44.97116
"641508"	714.16106	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+2Na-H"	44.97116
"1142825"	268.03446	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2Na-H"	44.97116
"185755"	246.052518	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+2Na"	45.978436
"621307"	357.584168	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+2Na"	45.978436
"1123720"	134.520868	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2Na"	45.978436
"1403963"	90.0163373333333	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H+2Na"	46.985712
"1436077"	270.076046	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H+HCOOH"	47.012746
"226865"	251.08554	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+3H2O+2H"	56.04448
"1509824"	284.12809	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+IsoProp+H"	61.06479
"410240"	254.039488	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+Na+K"	61.952376
"771237"	365.571138	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+Na+K"	61.952376
"1670847"	142.507838	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Na+K"	61.952376
"262837"	510.142368	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+ACN+Na"	64.015768
"1228254"	287.079068	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+ACN+Na"	64.015768
"1724804"	287.102593	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+NH4+HCOOH"	64.039293
"1186514"	97.3436513333333	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+3Na"	68.967654
"1659685"	292.057988	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Na+HCOOH"	68.994688
"168369"	523.04564	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+2K-H"	76.91904
"602099"	746.10894	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+2K-H"	76.91904
"1090619"	299.98234	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2K-H"	76.91904
"149621"	262.026458	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"2M+2K"	77.926316
"589181"	373.558108	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"3M+2K"	77.926316
"1076974"	150.494808	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2K"	77.926316
"1106903"	301.996892	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2K+H"	78.933592
"1346576"	302.084507	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+DMSO+H"	79.021207
"1018388"	306.123676	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2ACN+H"	83.060376
"1535419"	307.117308	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+IsoProp+Na+H"	84.054008
"996397"	153.565476	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+2ACN+2H"	84.067652
"1594183"	308.031928	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+K+HCOOH"	84.968628
"1427500"	338.063438	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+H+CF3COOH"	115.000138
"1158887"	174.078751	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+3ACN+2H"	125.094202
"1709528"	355.089985	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+NH4+CF3COOH"	132.026685
"1645178"	360.04538	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+Na+CF3COOH"	136.98208
"1572808"	376.01932	"C14444"	"2-Aminoanthraquinone"	"C14H9NO2"	"223.0633"	"M+K+CF3COOH"	152.95602
"813381"	283.9539	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M"	0
"978166"	264.93551	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-H2O-H"	-19.01839
"70782"	188.295324	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M-3H"	-3.021828
"508156"	282.946624	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M-3H"	-3.021828
"883769"	93.644024	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-3H"	-3.021828
"3443"	282.946624	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M-2H"	-2.014552
"455078"	424.923574	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M-2H"	-2.014552
"831013"	140.969674	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-2H"	-2.014552
"86264"	566.900524	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M-H"	-1.007276
"532756"	850.854424	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M-H"	-1.007276
"908731"	282.946624	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-H"	-1.007276
"53628"	583.927071	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M-2H+NH4"	16.019271
"494281"	867.880971	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M-2H+NH4"	16.019271
"866613"	299.973171	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-2H+NH4"	16.019271
"34515"	588.882466	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M-2H+Na"	20.974666
"477355"	872.836366	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M-2H+Na"	20.974666
"855159"	304.928566	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-2H+Na"	20.974666
"1627972"	304.928566	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Na-2H"	20.974666
"102313"	300.934963	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M-H+Cl"	33.962126
"540780"	442.911913	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M-H+Cl"	33.962126
"937575"	158.958013	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-H+Cl"	33.962126
"273945"	602.877202	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+Cl"	34.969402
"660776"	886.831102	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+Cl"	34.969402
"1284246"	318.923302	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Cl"	34.969402
"24615"	604.856406	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M-2H+K"	36.948606
"466365"	888.810306	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M-2H+K"	36.948606
"843074"	320.902506	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-2H+K"	36.948606
"1561094"	320.902506	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+K-2H"	36.948606
"945695"	328.952094	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-H+HCOOH"	44.998194
"366098"	612.906001	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+HCOOH-H"	44.998201
"351076"	626.921651	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+Hac-H"	59.013851
"1494441"	342.967751	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Hac-H"	59.013851
"961984"	350.934051	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-H+NaCOOH"	66.980151
"111980"	318.923302	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+2Cl"	69.938804
"550198"	460.900252	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+2Cl"	69.938804
"1022279"	176.946352	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2Cl"	69.938804
"1253049"	362.872785	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Br"	78.918885
"1307840"	364.928772	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Cl+HCOOH"	80.974872
"1330807"	386.910729	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Cl+NaCOOH"	102.956829
"914211"	396.939486	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M-H+CF3COOH"	112.985586
"1290920"	432.916164	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Cl+CF3COOH"	148.962264
"1371269"	248.941224	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H-2H2O"	-35.012676
"1385484"	266.9512	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H-H2O"	-17.0027
"287357"	568.915076	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+H"	1.007276
"677597"	852.868976	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+H"	1.007276
"1351879"	284.961176	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H"	1.007276
"127926"	284.961176	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+2H"	2.014552
"571862"	426.938126	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+2H"	2.014552
"1042847"	142.984226	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2H"	2.014552
"215122"	190.309876	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+3H"	3.021828
"653587"	284.961176	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+3H"	3.021828
"1171714"	95.658576	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+3H"	3.021828
"432800"	585.941623	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+NH4"	18.033823
"786507"	869.895523	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+NH4"	18.033823
"1681320"	301.987723	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+NH4"	18.033823
"330224"	293.4744495	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+H+NH4"	19.041099
"724265"	435.4513995	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+H+NH4"	19.041099
"1478082"	151.4974995	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H+NH4"	19.041099
"393480"	590.897018	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+Na"	22.989218
"754961"	874.850918	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+Na"	22.989218
"1603911"	306.943118	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Na"	22.989218
"319540"	295.952147	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+H+Na"	23.996494
"711596"	437.929097	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+H+Na"	23.996494
"1465417"	153.975197	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H+Na"	23.996494
"1057570"	102.98589	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2H+Na"	25.00377
"1258160"	316.987386	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+CH3OH+H"	33.033486
"379288"	606.870958	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+K"	38.963158
"740278"	890.824858	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+K"	38.963158
"1543072"	322.917058	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+K"	38.963158
"303528"	303.939117	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+H+K"	39.970434
"692669"	445.916067	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+H+K"	39.970434
"1445876"	161.962167	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H+K"	39.970434
"235803"	609.941626	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+ACN+H"	42.033826
"1215456"	325.987726	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+ACN+H"	42.033826
"1201532"	163.497501	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+ACN+2H"	43.041102
"197685"	612.87896	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+2Na-H"	44.97116
"637973"	896.83286	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+2Na-H"	44.97116
"1141842"	328.92506	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2Na-H"	44.97116
"186959"	306.943118	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+2Na"	45.978436
"621417"	448.920068	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+2Na"	45.978436
"1123830"	164.966168	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2Na"	45.978436
"1402615"	110.313204	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H+2Na"	46.985712
"1433636"	330.966646	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H+HCOOH"	47.012746
"224788"	311.97614	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+3H2O+2H"	56.04448
"1510663"	345.01869	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+IsoProp+H"	61.06479
"410350"	314.930088	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+Na+K"	61.952376
"771468"	456.907038	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+Na+K"	61.952376
"1668771"	172.953138	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Na+K"	61.952376
"255292"	631.923568	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+ACN+Na"	64.015768
"1228000"	347.969668	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+ACN+Na"	64.015768
"1721269"	347.993193	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+NH4+HCOOH"	64.039293
"1187717"	117.640518	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+3Na"	68.967654
"1657609"	352.948588	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Na+HCOOH"	68.994688
"164470"	644.82684	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+2K-H"	76.91904
"599659"	928.78074	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+2K-H"	76.91904
"1091820"	360.87294	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2K-H"	76.91904
"147544"	322.917058	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"2M+2K"	77.926316
"586011"	464.894008	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"3M+2K"	77.926316
"1070523"	180.940108	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2K"	77.926316
"1102639"	362.887492	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2K+H"	78.933592
"1343406"	362.975107	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+DMSO+H"	79.021207
"1018498"	367.014276	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2ACN+H"	83.060376
"1531154"	368.007908	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+IsoProp+Na+H"	84.054008
"994321"	184.010776	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+2ACN+2H"	84.067652
"1594293"	368.922528	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+K+HCOOH"	84.968628
"1427610"	398.954038	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+H+CF3COOH"	115.000138
"1160090"	204.524051	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+3ACN+2H"	125.094202
"1709638"	415.980585	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+NH4+CF3COOH"	132.026685
"1645288"	420.93598	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+Na+CF3COOH"	136.98208
"1574376"	436.90992	"C14445"	"Tris(2-chloroethyl)phosphate"	"C6H12Cl3O4P"	"283.9539"	"M+K+CF3COOH"	152.95602
"816529"	398.2433	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M"	0
"983743"	379.22491	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-H2O-H"	-19.01839
"75265"	264.488257333333	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M-3H"	-3.021828
"513733"	397.236024	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M-3H"	-3.021828
"887159"	131.740490666667	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-3H"	-3.021828
"3550"	397.236024	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M-2H"	-2.014552
"450768"	596.357674	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M-2H"	-2.014552
"828570"	198.114374	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-2H"	-2.014552
"88561"	795.479324	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M-H"	-1.007276
"533717"	1193.722624	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M-H"	-1.007276
"909937"	397.236024	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-H"	-1.007276
"57749"	812.505871	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M-2H+NH4"	16.019271
"494392"	1210.749171	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M-2H+NH4"	16.019271
"870005"	414.262571	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-2H+NH4"	16.019271
"39000"	817.461266	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M-2H+Na"	20.974666
"475279"	1215.704566	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M-2H+Na"	20.974666
"853083"	419.217966	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-2H+Na"	20.974666
"1624803"	419.217966	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Na-2H"	20.974666
"101330"	415.224363	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M-H+Cl"	33.962126
"540891"	614.346013	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M-H+Cl"	33.962126
"936593"	216.102713	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-H+Cl"	33.962126
"272963"	831.456002	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+Cl"	34.969402
"663196"	1229.699302	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+Cl"	34.969402
"1284358"	433.212702	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Cl"	34.969402
"26911"	833.435206	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M-2H+K"	36.948606
"466474"	1231.678506	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M-2H+K"	36.948606
"845371"	435.191906	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-2H+K"	36.948606
"1566671"	435.191906	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+K-2H"	36.948606
"951272"	443.241494	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-H+HCOOH"	44.998194
"365112"	841.484801	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+HCOOH-H"	44.998201
"352280"	855.500451	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+Hac-H"	59.013851
"1500018"	457.257151	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Hac-H"	59.013851
"960628"	465.223451	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-H+NaCOOH"	66.980151
"113186"	433.212702	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+2Cl"	69.938804
"552380"	632.334352	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+2Cl"	69.938804
"1022270"	234.091052	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2Cl"	69.938804
"1253888"	477.162185	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Br"	78.918885
"1309043"	479.218172	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Cl+HCOOH"	80.974872
"1333103"	501.200129	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Cl+NaCOOH"	102.956829
"916508"	511.228886	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M-H+CF3COOH"	112.985586
"1293217"	547.205564	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Cl+CF3COOH"	148.962264
"1372472"	363.230624	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H-2H2O"	-35.012676
"1387781"	381.2406	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H-H2O"	-17.0027
"289654"	797.493876	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+H"	1.007276
"680987"	1195.737176	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+H"	1.007276
"1354055"	399.250576	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H"	1.007276
"134597"	399.250576	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+2H"	2.014552
"574160"	598.372226	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+2H"	2.014552
"1052562"	200.128926	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2H"	2.014552
"215232"	266.502809333333	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+3H"	3.021828
"653697"	399.250576	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+3H"	3.021828
"1170731"	133.755042666667	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+3H"	3.021828
"432910"	814.520423	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+NH4"	18.033823
"788806"	1212.763723	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+NH4"	18.033823
"1684040"	416.277123	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+NH4"	18.033823
"334140"	407.7638495	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+H+NH4"	19.041099
"726926"	606.8854995	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+H+NH4"	19.041099
"1479288"	208.6421995	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H+NH4"	19.041099
"396875"	819.475818	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+Na"	22.989218
"760057"	1217.719118	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+Na"	22.989218
"1611436"	421.232518	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Na"	22.989218
"322566"	410.241547	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+H+Na"	23.996494
"716081"	609.363197	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+H+Na"	23.996494
"1469903"	211.119897	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H+Na"	23.996494
"1059138"	141.082356666667	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2H+Na"	25.00377
"1260456"	431.276786	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+CH3OH+H"	33.033486
"379034"	835.449758	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+K"	38.963158
"741121"	1233.693058	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+K"	38.963158
"1544277"	437.206458	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+K"	38.963158
"303638"	418.228517	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+H+K"	39.970434
"696061"	617.350167	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+H+K"	39.970434
"1450974"	219.106867	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H+K"	39.970434
"241764"	838.520426	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+ACN+H"	42.033826
"1215566"	440.277126	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+ACN+H"	42.033826
"1204921"	220.642201	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+ACN+2H"	43.041102
"200347"	841.45776	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+2Na-H"	44.97116
"638447"	1239.70106	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+2Na-H"	44.97116
"1141952"	443.21446	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2Na-H"	44.97116
"187069"	421.232518	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+2Na"	45.978436
"621891"	620.354168	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+2Na"	45.978436
"1127948"	222.110868	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2Na"	45.978436
"1404912"	148.409670666667	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H+2Na"	46.985712
"1434475"	445.256046	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H+HCOOH"	47.012746
"223076"	426.26554	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+3H2O+2H"	56.04448
"1510773"	459.30809	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+IsoProp+H"	61.06479
"410824"	429.219488	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+Na+K"	61.952376
"771457"	628.341138	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+Na+K"	61.952376
"1666571"	230.097838	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Na+K"	61.952376
"260869"	860.502368	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+ACN+Na"	64.015768
"1232484"	462.259068	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+ACN+Na"	64.015768
"1723566"	462.282593	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+NH4+HCOOH"	64.039293
"1189653"	155.736984666667	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+3Na"	68.967654
"1656629"	467.237988	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Na+HCOOH"	68.994688
"164581"	873.40564	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+2K-H"	76.91904
"600862"	1271.64894	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+2K-H"	76.91904
"1090837"	475.16234	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2K-H"	76.91904
"147655"	437.206458	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"2M+2K"	77.926316
"585027"	636.328108	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"3M+2K"	77.926316
"1070633"	238.084808	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2K"	77.926316
"1102749"	477.176892	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2K+H"	78.933592
"1343516"	477.264507	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+DMSO+H"	79.021207
"1018244"	481.303676	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2ACN+H"	83.060376
"1529078"	482.297308	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+IsoProp+Na+H"	84.054008
"993338"	241.155476	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+2ACN+2H"	84.067652
"1591123"	483.211928	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+K+HCOOH"	84.968628
"1428813"	513.243438	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+H+CF3COOH"	115.000138
"1154725"	261.668751	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+3ACN+2H"	125.094202
"1709748"	530.269985	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+NH4+CF3COOH"	132.026685
"1645398"	535.22538	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+Na+CF3COOH"	136.98208
"1574486"	551.19932	"C14446"	"Tris(butoxyethyl)phosphate;Tris(2-butoxyethyl) phosphate"	"C18H39O7P"	"398.2433"	"M+K+CF3COOH"	152.95602
"813601"	93.0578	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M"	0
"980573"	74.03941	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-H2O-H"	-19.01839
"67722"	61.0312573333333	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M-3H"	-3.021828
"511656"	92.050524	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M-3H"	-3.021828
"883989"	30.0119906666667	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-3H"	-3.021828
"3661"	92.050524	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M-2H"	-2.014552
"449785"	138.579424	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M-2H"	-2.014552
"827587"	45.521624	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-2H"	-2.014552
"86484"	185.108324	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M-H"	-1.007276
"528232"	278.166124	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M-H"	-1.007276
"905670"	92.050524	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-H"	-1.007276
"50567"	202.134871	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M-2H+NH4"	16.019271
"489034"	295.192671	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M-2H+NH4"	16.019271
"870117"	109.077071	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-2H+NH4"	16.019271
"34736"	207.090266	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M-2H+Na"	20.974666
"476485"	300.148066	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M-2H+Na"	20.974666
"853193"	114.032466	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-2H+Na"	20.974666
"1623819"	114.032466	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Na-2H"	20.974666
"97067"	110.038863	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M-H+Cl"	33.962126
"537719"	156.567763	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M-H+Cl"	33.962126
"929412"	63.509963	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-H+Cl"	33.962126
"268575"	221.085002	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+Cl"	34.969402
"660387"	314.142802	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+Cl"	34.969402
"1281188"	128.027202	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Cl"	34.969402
"25930"	223.064206	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M-2H+K"	36.948606
"464398"	316.122006	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M-2H+K"	36.948606
"843294"	130.006406	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-2H+K"	36.948606
"1562407"	130.006406	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+K-2H"	36.948606
"950288"	138.055994	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-H+HCOOH"	44.998194
"366316"	231.113801	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+HCOOH-H"	44.998201
"351297"	245.129451	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+Hac-H"	59.013851
"1499035"	152.071651	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Hac-H"	59.013851
"960010"	160.037951	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-H+NaCOOH"	66.980151
"112566"	128.027202	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+2Cl"	69.938804
"551394"	174.556102	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+2Cl"	69.938804
"1022378"	81.498302	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2Cl"	69.938804
"1254362"	171.976685	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Br"	78.918885
"1319122"	174.032672	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Cl+HCOOH"	80.974872
"1329933"	196.014629	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Cl+NaCOOH"	102.956829
"917712"	206.043386	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M-H+CF3COOH"	112.985586
"1293327"	242.020064	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Cl+CF3COOH"	148.962264
"1371489"	58.045124	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H-2H2O"	-35.012676
"1388985"	76.0551	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H-H2O"	-17.0027
"293044"	187.122876	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+H"	1.007276
"677818"	280.180676	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+H"	1.007276
"1352706"	94.065076	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H"	1.007276
"131427"	94.065076	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+2H"	2.014552
"572081"	140.593976	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+2H"	2.014552
"1048535"	47.536176	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2H"	2.014552
"215342"	63.0458093333333	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+3H"	3.021828
"652714"	94.065076	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+3H"	3.021828
"1170839"	32.0265426666667	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+3H"	3.021828
"431927"	204.149423	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+NH4"	18.033823
"786364"	297.207223	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+NH4"	18.033823
"1684878"	111.091623	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+NH4"	18.033823
"333522"	102.5783495	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+H+NH4"	19.041099
"723877"	149.1072495	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+H+NH4"	19.041099
"1482678"	56.0494495	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H+NH4"	19.041099
"399172"	209.104818	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+Na"	22.989218
"757980"	302.162618	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+Na"	22.989218
"1610452"	116.047018	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Na"	22.989218
"323769"	105.056047	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+H+Na"	23.996494
"715097"	151.584947	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+H+Na"	23.996494
"1466732"	58.527147	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H+Na"	23.996494
"1058884"	39.3538566666667	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2H+Na"	25.00377
"1257528"	126.091286	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+CH3OH+H"	33.033486
"377561"	225.078758	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+K"	38.963158
"738839"	318.136558	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+K"	38.963158
"1547666"	132.020958	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+K"	38.963158
"304841"	113.043017	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+H+K"	39.970434
"694348"	159.571917	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+H+K"	39.970434
"1449990"	66.514117	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H+K"	39.970434
"240781"	228.149426	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+ACN+H"	42.033826
"1213490"	135.091626	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+ACN+H"	42.033826
"1201752"	68.049451	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+ACN+2H"	43.041102
"199728"	231.08676	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+2Na-H"	44.97116
"637464"	324.14456	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+2Na-H"	44.97116
"1142062"	138.02896	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2Na-H"	44.97116
"187179"	116.047018	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+2Na"	45.978436
"622001"	162.575918	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+2Na"	45.978436
"1125142"	69.518118	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2Na"	45.978436
"1404658"	46.6811706666667	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H+2Na"	46.985712
"1434585"	140.070546	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H+HCOOH"	47.012746
"225009"	121.08004	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+3H2O+2H"	56.04448
"1510154"	154.12259	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+IsoProp+H"	61.06479
"409841"	124.033988	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+Na+K"	61.952376
"771202"	170.562888	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+Na+K"	61.952376
"1666075"	77.505088	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Na+K"	61.952376
"258792"	250.131368	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+ACN+Na"	64.015768
"1231501"	157.073568	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+ACN+Na"	64.015768
"1724405"	157.097093	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+NH4+HCOOH"	64.039293
"1187940"	54.0084846666667	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+3Na"	68.967654
"1656739"	162.052488	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Na+HCOOH"	68.994688
"163597"	263.03464	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+2K-H"	76.91904
"600972"	356.09244	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+2K-H"	76.91904
"1088761"	169.97684	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2K-H"	76.91904
"146671"	132.020958	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"2M+2K"	77.926316
"584044"	178.549858	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"3M+2K"	77.926316
"1070743"	85.492058	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2K"	77.926316
"1101766"	171.991392	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2K+H"	78.933592
"1343626"	172.079007	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+DMSO+H"	79.021207
"1012155"	176.118176	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2ACN+H"	83.060376
"1531370"	177.111808	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+IsoProp+Na+H"	84.054008
"994537"	88.562726	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+2ACN+2H"	84.067652
"1593419"	178.026428	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+K+HCOOH"	84.968628
"1426736"	208.057938	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+H+CF3COOH"	115.000138
"1154835"	109.076001	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+3ACN+2H"	125.094202
"1709858"	225.084485	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+NH4+CF3COOH"	132.026685
"1645508"	230.03988	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+Na+CF3COOH"	136.98208
"1574596"	246.01382	"C14447"	"2-Methylpyridine;2-Picoline"	"C6H7N"	"93.0578"	"M+K+CF3COOH"	152.95602
"810431"	58.0055	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M"	0
"981777"	38.98711	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-H2O-H"	-19.01839
"67832"	37.6630573333333	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M-3H"	-3.021828
"508486"	56.998224	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M-3H"	-3.021828
"884099"	18.3278906666667	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-3H"	-3.021828
"3771"	56.998224	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M-2H"	-2.014552
"450624"	86.000974	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M-2H"	-2.014552
"828426"	27.995474	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-2H"	-2.014552
"84408"	115.003724	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M-H"	-1.007276
"531259"	173.009224	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M-H"	-1.007276
"906873"	56.998224	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-H"	-1.007276
"51770"	132.030271	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M-2H+NH4"	16.019271
"488536"	190.035771	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M-2H+NH4"	16.019271
"870227"	74.024771	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-2H+NH4"	16.019271
"35940"	136.985666	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M-2H+Na"	20.974666
"476595"	194.991166	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M-2H+Na"	20.974666
"858770"	78.980166	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-2H+Na"	20.974666
"1623929"	78.980166	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Na-2H"	20.974666
"99364"	74.986563	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M-H+Cl"	33.962126
"540016"	103.989313	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M-H+Cl"	33.962126
"936814"	45.983813	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-H+Cl"	33.962126
"273546"	150.980402	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+Cl"	34.969402
"668520"	208.985902	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+Cl"	34.969402
"1283485"	92.974902	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Cl"	34.969402
"27133"	152.959606	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M-2H+K"	36.948606
"465601"	210.965106	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M-2H+K"	36.948606
"841218"	94.954106	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-2H+K"	36.948606
"1562517"	94.954106	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+K-2H"	36.948606
"950398"	103.003694	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-H+HCOOH"	44.998194
"368613"	161.009201	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+HCOOH-H"	44.998201
"351407"	175.024851	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+Hac-H"	59.013851
"1495865"	117.019351	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Hac-H"	59.013851
"961580"	124.985651	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-H+NaCOOH"	66.980151
"113766"	92.974902	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+2Cl"	69.938804
"554055"	121.977652	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+2Cl"	69.938804
"1025039"	63.972152	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2Cl"	69.938804
"1243527"	136.924385	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Br"	78.918885
"1310356"	138.980372	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Cl+HCOOH"	80.974872
"1334174"	160.962329	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Cl+NaCOOH"	102.956829
"918914"	170.991086	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M-H+CF3COOH"	112.985586
"1302063"	206.967764	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Cl+CF3COOH"	148.962264
"1374879"	22.992824	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H-2H2O"	-35.012676
"1390188"	41.0028	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H-H2O"	-17.0027
"293154"	117.018276	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+H"	1.007276
"676710"	175.023776	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+H"	1.007276
"1353181"	59.012776	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H"	1.007276
"129351"	59.012776	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+2H"	2.014552
"568912"	88.015526	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+2H"	2.014552
"1048645"	30.010026	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2H"	2.014552
"218732"	39.6776093333333	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+3H"	3.021828
"652824"	59.012776	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+3H"	3.021828
"1169856"	20.3424426666667	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+3H"	3.021828
"429851"	134.044823	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+NH4"	18.033823
"786715"	192.050323	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+NH4"	18.033823
"1686448"	76.039323	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+NH4"	18.033823
"332904"	67.5260495	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+H+NH4"	19.041099
"727147"	96.5287995	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+H+NH4"	19.041099
"1484975"	38.5232995	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H+NH4"	19.041099
"400375"	139.000218	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+Na"	22.989218
"762464"	197.005718	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+Na"	22.989218
"1613844"	80.994718	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Na"	22.989218
"323880"	70.003747	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+H+Na"	23.996494
"717393"	99.006497	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+H+Na"	23.996494
"1471216"	41.000997	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H+Na"	23.996494
"1063368"	27.6697566666667	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2H+Na"	25.00377
"1265049"	91.038986	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+CH3OH+H"	33.033486
"379615"	154.974158	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+K"	38.963158
"740611"	212.979658	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+K"	38.963158
"1543400"	96.968658	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+K"	38.963158
"300576"	77.990717	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+H+K"	39.970434
"694458"	106.993467	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+H+K"	39.970434
"1449006"	48.987967	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H+K"	39.970434
"237609"	158.044826	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+ACN+H"	42.033826
"1213600"	100.039326	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+ACN+H"	42.033826
"1202955"	50.523301	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+ACN+2H"	43.041102
"202268"	160.98216	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+2Na-H"	44.97116
"638667"	218.98766	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+2Na-H"	44.97116
"1142172"	102.97666	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2Na-H"	44.97116
"187413"	80.994718	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+2Na"	45.978436
"622111"	109.997468	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+2Na"	45.978436
"1125252"	51.991968	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2Na"	45.978436
"1408774"	34.9970706666667	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H+2Na"	46.985712
"1435425"	105.018246	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H+HCOOH"	47.012746
"225119"	86.02774	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+3H2O+2H"	56.04448
"1512086"	119.07029	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+IsoProp+H"	61.06479
"410680"	88.981688	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+Na+K"	61.952376
"770948"	117.984438	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+Na+K"	61.952376
"1668008"	59.978938	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Na+K"	61.952376
"257809"	180.026768	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+ACN+Na"	64.015768
"1230518"	122.021268	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+ACN+Na"	64.015768
"1722693"	122.044793	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+NH4+HCOOH"	64.039293
"1186957"	42.3243846666667	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+3Na"	68.967654
"1655754"	127.000188	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Na+HCOOH"	68.994688
"163343"	192.93004	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+2K-H"	76.91904
"603997"	250.93554	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+2K-H"	76.91904
"1088871"	134.92454	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2K-H"	76.91904
"146781"	96.968658	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"2M+2K"	77.926316
"583182"	125.971408	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"3M+2K"	77.926316
"1068657"	67.965908	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2K"	77.926316
"1101025"	136.939092	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2K+H"	78.933592
"1340456"	137.026707	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+DMSO+H"	79.021207
"1012992"	141.065876	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2ACN+H"	83.060376
"1531480"	142.059508	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+IsoProp+Na+H"	84.054008
"993554"	71.036576	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+2ACN+2H"	84.067652
"1592436"	142.974128	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+K+HCOOH"	84.968628
"1426482"	173.005638	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+H+CF3COOH"	115.000138
"1154945"	91.549851	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+3ACN+2H"	125.094202
"1707781"	190.032185	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+NH4+CF3COOH"	132.026685
"1645618"	194.98758	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+Na+CF3COOH"	136.98208
"1581268"	210.96152	"C14448"	"Glyoxal;Oxalaldehyde;12-Ethanedione"	"C2H2O2"	"58.0055"	"M+K+CF3COOH"	152.95602
"813821"	92.0029	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M"	0
"981887"	72.98451	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-H2O-H"	-19.01839
"71222"	60.3279906666667	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M-3H"	-3.021828
"508595"	90.995624	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M-3H"	-3.021828
"889676"	29.6603573333333	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-3H"	-3.021828
"3881"	90.995624	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M-2H"	-2.014552
"451098"	136.997074	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M-2H"	-2.014552
"828900"	44.994174	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-2H"	-2.014552
"84518"	182.998524	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M-H"	-1.007276
"531733"	275.001424	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M-H"	-1.007276
"906254"	90.995624	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-H"	-1.007276
"49815"	200.025071	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M-2H+NH4"	16.019271
"490348"	292.027971	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M-2H+NH4"	16.019271
"870337"	108.022171	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-2H+NH4"	16.019271
"36050"	204.980466	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M-2H+Na"	20.974666
"476704"	296.983366	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M-2H+Na"	20.974666
"856693"	112.977566	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-2H+Na"	20.974666
"1626226"	112.977566	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Na-2H"	20.974666
"100568"	108.983963	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M-H+Cl"	33.962126
"543407"	154.985413	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M-H+Cl"	33.962126
"940204"	62.982513	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-H+Cl"	33.962126
"276208"	218.975202	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+Cl"	34.969402
"669360"	310.978102	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+Cl"	34.969402
"1283593"	126.972302	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Cl"	34.969402
"27243"	220.954406	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M-2H+K"	36.948606
"465711"	312.957306	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M-2H+K"	36.948606
"846067"	128.951506	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-2H+K"	36.948606
"1567003"	128.951506	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+K-2H"	36.948606
"955980"	137.001094	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-H+HCOOH"	44.998194
"372735"	229.004001	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+HCOOH-H"	44.998201
"353704"	243.019651	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+Hac-H"	59.013851
"1498162"	151.016751	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Hac-H"	59.013851
"965704"	158.983051	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-H+NaCOOH"	66.980151
"112788"	126.972302	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+2Cl"	69.938804
"551737"	172.973752	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+2Cl"	69.938804
"1024789"	80.970852	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2Cl"	69.938804
"1255311"	170.921785	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Br"	78.918885
"1309373"	172.977772	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Cl+HCOOH"	80.974872
"1334166"	194.959729	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Cl+NaCOOH"	102.956829
"924492"	204.988486	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M-H+CF3COOH"	112.985586
"1301202"	240.965164	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Cl+CF3COOH"	148.962264
"1378269"	56.990224	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H-2H2O"	-35.012676
"1394672"	75.0002	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H-H2O"	-17.0027
"294362"	185.013076	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+H"	1.007276
"676457"	277.015976	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+H"	1.007276
"1356569"	93.010176	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H"	1.007276
"129461"	93.010176	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+2H"	2.014552
"570114"	139.011626	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+2H"	2.014552
"1046569"	47.008726	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2H"	2.014552
"211190"	62.3425426666667	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+3H"	3.021828
"655123"	93.010176	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+3H"	3.021828
"1173249"	31.6749093333333	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+3H"	3.021828
"434335"	202.039623	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+NH4"	18.033823
"795331"	294.042523	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+NH4"	18.033823
"1686558"	110.036723	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+NH4"	18.033823
"333740"	101.5234495	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+H+NH4"	19.041099
"724582"	147.5248995	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+H+NH4"	19.041099
"1483265"	55.5219995	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H+NH4"	19.041099
"399027"	206.995018	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+Na"	22.989218
"761481"	298.997918	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+Na"	22.989218
"1611766"	114.992118	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Na"	22.989218
"319617"	104.001147	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+H+Na"	23.996494
"716412"	150.002597	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+H+Na"	23.996494
"1470233"	57.999697	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H+Na"	23.996494
"1063479"	39.0022233333333	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2H+Na"	25.00377
"1262971"	125.036386	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+CH3OH+H"	33.033486
"380456"	222.968958	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+K"	38.963158
"740359"	314.971858	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+K"	38.963158
"1542417"	130.966058	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+K"	38.963158
"300686"	111.988117	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+H+K"	39.970434
"694203"	157.989567	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+H+K"	39.970434
"1449116"	65.986667	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H+K"	39.970434
"238812"	226.039626	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+ACN+H"	42.033826
"1212617"	134.036726	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+ACN+H"	42.033826
"1204156"	67.522001	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+ACN+2H"	43.041102
"195933"	228.97696	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+2Na-H"	44.97116
"638777"	320.97986	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+2Na-H"	44.97116
"1139002"	136.97406	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2Na-H"	44.97116
"187643"	114.992118	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+2Na"	45.978436
"622221"	160.993568	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+2Na"	45.978436
"1125362"	68.990668	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2Na"	45.978436
"1411072"	46.3295373333333	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H+2Na"	46.985712
"1441000"	139.015646	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H+HCOOH"	47.012746
"228510"	120.02514	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+3H2O+2H"	56.04448
"1514384"	153.06769	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+IsoProp+H"	61.06479
"412976"	122.979088	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+Na+K"	61.952376
"775065"	168.980538	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+Na+K"	61.952376
"1671397"	76.977638	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Na+K"	61.952376
"257919"	248.021568	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+ACN+Na"	64.015768
"1233908"	156.018668	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+ACN+Na"	64.015768
"1721710"	156.042193	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+NH4+HCOOH"	64.039293
"1186703"	53.6568513333333	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+3Na"	68.967654
"1656593"	160.997588	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Na+HCOOH"	68.994688
"162360"	260.92484	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+2K-H"	76.91904
"604107"	352.92774	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+2K-H"	76.91904
"1087888"	168.92194	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2K-H"	76.91904
"143611"	130.966058	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"2M+2K"	77.926316
"582198"	176.967508	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"3M+2K"	77.926316
"1068932"	84.964608	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2K"	77.926316
"1100767"	170.936492	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2K+H"	78.933592
"1340566"	171.024107	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+DMSO+H"	79.021207
"1010186"	175.063276	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2ACN+H"	83.060376
"1529403"	176.056908	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+IsoProp+Na+H"	84.054008
"994756"	88.035276	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+2ACN+2H"	84.067652
"1588288"	176.971528	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+K+HCOOH"	84.968628
"1416379"	207.003038	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+H+CF3COOH"	115.000138
"1155055"	108.548551	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+3ACN+2H"	125.094202
"1707891"	224.029585	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+NH4+CF3COOH"	132.026685
"1646821"	228.98498	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+Na+CF3COOH"	136.98208
"1581378"	244.95892	"C14449"	"Epichlorohydrin;1-Chloro-23-epoxypropane"	"C3H5ClO"	"92.0029"	"M+K+CF3COOH"	152.95602
"811744"	127.0189	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M"	0
"981998"	108.00051	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-H2O-H"	-19.01839
"71333"	83.6719906666667	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M-3H"	-3.021828
"511987"	126.011624	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M-3H"	-3.021828
"894890"	41.3323573333333	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-3H"	-3.021828
"3991"	126.011624	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M-2H"	-2.014552
"452301"	189.521074	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M-2H"	-2.014552
"829010"	62.502174	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-2H"	-2.014552
"84628"	253.030524	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M-H"	-1.007276
"534184"	380.049424	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M-H"	-1.007276
"906364"	126.011624	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-H"	-1.007276
"59647"	270.057071	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M-2H+NH4"	16.019271
"499208"	397.075971	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M-2H+NH4"	16.019271
"874822"	143.038171	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-2H+NH4"	16.019271
"41630"	275.012466	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M-2H+Na"	20.974666
"482282"	402.031366	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M-2H+Na"	20.974666
"855710"	147.993566	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-2H+Na"	20.974666
"1627431"	147.993566	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Na-2H"	20.974666
"105052"	143.999963	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M-H+Cl"	33.962126
"546799"	207.509413	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M-H+Cl"	33.962126
"937035"	80.490513	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-H+Cl"	33.962126
"279964"	289.007202	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+Cl"	34.969402
"671292"	416.026102	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+Cl"	34.969402
"1287796"	161.988302	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Cl"	34.969402
"26262"	290.986406	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M-2H+K"	36.948606
"466914"	418.005306	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M-2H+K"	36.948606
"843622"	163.967506	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-2H+K"	36.948606
"1571126"	163.967506	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+K-2H"	36.948606
"957548"	172.017094	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-H+HCOOH"	44.998194
"377056"	299.036001	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+HCOOH-H"	44.998201
"360015"	313.051651	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+Hac-H"	59.013851
"1501553"	186.032751	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Hac-H"	59.013851
"970189"	193.999051	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-H+NaCOOH"	66.980151
"121284"	161.988302	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+2Cl"	69.938804
"554281"	225.497752	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+2Cl"	69.938804
"1022350"	98.478852	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2Cl"	69.938804
"1256638"	205.937785	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Br"	78.918885
"1309483"	207.993772	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Cl+HCOOH"	80.974872
"1335175"	229.975729	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Cl+NaCOOH"	102.956829
"921325"	240.004486	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M-H+CF3COOH"	112.985586
"1300219"	275.981164	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Cl+CF3COOH"	148.962264
"1381296"	92.006224	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H-2H2O"	-35.012676
"1394784"	110.0162	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H-H2O"	-17.0027
"296295"	255.045076	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+H"	1.007276
"678510"	382.063976	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+H"	1.007276
"1354493"	128.026176	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H"	1.007276
"131028"	128.026176	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+2H"	2.014552
"573505"	191.535626	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+2H"	2.014552
"1045586"	64.516726	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2H"	2.014552
"212394"	85.6865426666667	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+3H"	3.021828
"657420"	128.026176	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+3H"	3.021828
"1175911"	43.3469093333333	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+3H"	3.021828
"434445"	272.071623	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+NH4"	18.033823
"795440"	399.090523	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+NH4"	18.033823
"1689583"	145.052723	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+NH4"	18.033823
"334216"	136.5394495	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+H+NH4"	19.041099
"727002"	200.0488995	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+H+NH4"	19.041099
"1485197"	73.0299995	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H+NH4"	19.041099
"400596"	277.027018	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+Na"	22.989218
"761591"	404.045918	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+Na"	22.989218
"1614064"	150.008118	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Na"	22.989218
"325196"	139.017147	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+H+Na"	23.996494
"717615"	202.526597	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+H+Na"	23.996494
"1474719"	75.507697	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H+Na"	23.996494
"1062496"	50.6742233333333	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2H+Na"	25.00377
"1261990"	160.052386	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+CH3OH+H"	33.033486
"378381"	293.000958	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+K"	38.963158
"741564"	420.019858	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+K"	38.963158
"1542527"	165.982058	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+K"	38.963158
"301891"	147.004117	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+H+K"	39.970434
"693585"	210.513567	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+H+K"	39.970434
"1450318"	83.494667	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H+K"	39.970434
"238195"	296.071626	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+ACN+H"	42.033826
"1213088"	169.052726	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+ACN+H"	42.033826
"1205359"	85.030001	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+ACN+2H"	43.041102
"196043"	299.00896	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+2Na-H"	44.97116
"641074"	426.02786	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+2Na-H"	44.97116
"1145188"	171.99006	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2Na-H"	44.97116
"187507"	150.008118	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+2Na"	45.978436
"625981"	213.517568	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+2Na"	45.978436
"1126567"	86.498668	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2Na"	45.978436
"1410091"	58.0015373333333	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H+2Na"	46.985712
"1441112"	174.031646	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H+HCOOH"	47.012746
"227526"	155.04114	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+3H2O+2H"	56.04448
"1517779"	188.08369	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+IsoProp+H"	61.06479
"417464"	157.995088	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+Na+K"	61.952376
"780646"	221.504538	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+Na+K"	61.952376
"1673695"	94.485638	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Na+K"	61.952376
"260218"	318.053568	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+ACN+Na"	64.015768
"1236205"	191.034668	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+ACN+Na"	64.015768
"1720725"	191.058193	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+NH4+HCOOH"	64.039293
"1184989"	65.3288513333333	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+3Na"	68.967654
"1653784"	196.013588	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Na+HCOOH"	68.994688
"160645"	330.95684	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+2K-H"	76.91904
"600205"	457.97574	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+2K-H"	76.91904
"1085443"	203.93794	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2K-H"	76.91904
"142260"	165.982058	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"2M+2K"	77.926316
"582913"	229.491508	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"3M+2K"	77.926316
"1072162"	102.472608	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2K"	77.926316
"1102095"	205.952492	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2K+H"	78.933592
"1340672"	206.040107	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+DMSO+H"	79.021207
"1012482"	210.079276	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2ACN+H"	83.060376
"1528418"	211.072908	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+IsoProp+Na+H"	84.054008
"992680"	105.543276	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+2ACN+2H"	84.067652
"1590464"	211.987528	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+K+HCOOH"	84.968628
"1416853"	242.019038	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+H+CF3COOH"	115.000138
"1149693"	126.056551	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+3ACN+2H"	125.094202
"1704718"	259.045585	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+NH4+CF3COOH"	132.026685
"1646931"	264.00098	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+Na+CF3COOH"	136.98208
"1581488"	279.97492	"C14450"	"4-Chloroaniline;1-Amino-4-chlorobenzene"	"C6H6ClN"	"127.0189"	"M+K+CF3COOH"	152.95602
"814041"	126.0236	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M"	0
"985388"	107.00521	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-H2O-H"	-19.01839
"75817"	83.0084573333333	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M-3H"	-3.021828
"512097"	125.016324	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M-3H"	-3.021828
"892084"	41.0005906666667	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-3H"	-3.021828
"3008"	125.016324	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M-2H"	-2.014552
"451318"	188.028124	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M-2H"	-2.014552
"829120"	62.004524	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-2H"	-2.014552
"84738"	251.039924	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M-H"	-1.007276
"531954"	377.063524	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M-H"	-1.007276
"906474"	125.016324	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-H"	-1.007276
"58664"	268.066471	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M-2H+NH4"	16.019271
"499318"	394.090071	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M-2H+NH4"	16.019271
"873839"	142.042871	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-2H+NH4"	16.019271
"44899"	273.021866	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M-2H+Na"	20.974666
"482392"	399.045466	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M-2H+Na"	20.974666
"853998"	146.998266	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-2H+Na"	20.974666
"1627541"	146.998266	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Na-2H"	20.974666
"106255"	143.004663	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M-H+Cl"	33.962126
"547639"	206.016463	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M-H+Cl"	33.962126
"939332"	79.992863	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-H+Cl"	33.962126
"281046"	287.016602	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+Cl"	34.969402
"671402"	413.040202	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+Cl"	34.969402
"1287095"	160.993002	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Cl"	34.969402
"26372"	288.995806	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M-2H+K"	36.948606
"465931"	415.019406	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M-2H+K"	36.948606
"843732"	162.972206	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-2H+K"	36.948606
"1568318"	162.972206	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+K-2H"	36.948606
"956198"	171.021794	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-H+HCOOH"	44.998194
"376235"	297.045401	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+HCOOH-H"	44.998201
"360124"	311.061051	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+Hac-H"	59.013851
"1498383"	185.037451	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Hac-H"	59.013851
"968112"	193.003751	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-H+NaCOOH"	66.980151
"121394"	160.993002	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+2Cl"	69.938804
"554391"	224.004802	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+2Cl"	69.938804
"1022460"	97.981202	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2Cl"	69.938804
"1256748"	204.942485	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Br"	78.918885
"1310686"	206.998472	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Cl+HCOOH"	80.974872
"1334880"	228.980429	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Cl+NaCOOH"	102.956829
"926419"	239.009186	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M-H+CF3COOH"	112.985586
"1300329"	274.985864	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Cl+CF3COOH"	148.962264
"1381407"	91.010924	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H-2H2O"	-35.012676
"1397079"	109.0209	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H-H2O"	-17.0027
"294582"	253.054476	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+H"	1.007276
"678984"	379.078076	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+H"	1.007276
"1356790"	127.030876	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H"	1.007276
"129683"	127.030876	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+2H"	2.014552
"574709"	190.042676	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+2H"	2.014552
"1046790"	64.019076	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2H"	2.014552
"213597"	85.0230093333333	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+3H"	3.021828
"659476"	127.030876	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+3H"	3.021828
"1176143"	43.0151426666667	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+3H"	3.021828
"431640"	270.081023	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+NH4"	18.033823
"794457"	396.104623	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+NH4"	18.033823
"1690790"	144.057423	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+NH4"	18.033823
"335420"	135.5441495	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+H+NH4"	19.041099
"726746"	198.5559495	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+H+NH4"	19.041099
"1482753"	72.5323495	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H+NH4"	19.041099
"397060"	275.036418	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+Na"	22.989218
"762795"	401.060018	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+Na"	22.989218
"1611987"	149.012818	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Na"	22.989218
"325305"	138.021847	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+H+Na"	23.996494
"716631"	201.033647	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+H+Na"	23.996494
"1469363"	75.010047	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H+Na"	23.996494
"1057140"	50.3424566666667	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2H+Na"	25.00377
"1259185"	159.057086	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+CH3OH+H"	33.033486
"378490"	291.010358	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+K"	38.963158
"741673"	417.033958	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+K"	38.963158
"1541908"	164.986758	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+K"	38.963158
"304188"	146.008817	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+H+K"	39.970434
"692966"	209.020617	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+H+K"	39.970434
"1451521"	82.997017	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H+K"	39.970434
"239034"	294.081026	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+ACN+H"	42.033826
"1215019"	168.057426	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+ACN+H"	42.033826
"1198907"	84.532351	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+ACN+2H"	43.041102
"196153"	297.01836	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+2Na-H"	44.97116
"640091"	423.04196	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+2Na-H"	44.97116
"1145662"	170.99476	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2Na-H"	44.97116
"184701"	149.012818	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+2Na"	45.978436
"625360"	212.024618	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+2Na"	45.978436
"1125584"	86.001018	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2Na"	45.978436
"1408015"	57.6697706666667	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H+2Na"	46.985712
"1441222"	173.036346	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H+HCOOH"	47.012746
"227636"	154.04584	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+3H2O+2H"	56.04448
"1515696"	187.08839	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+IsoProp+H"	61.06479
"416481"	156.999788	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+Na+K"	61.952376
"780756"	220.011588	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+Na+K"	61.952376
"1672712"	93.987988	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Na+K"	61.952376
"258142"	316.062968	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+ACN+Na"	64.015768
"1233037"	190.039368	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+ACN+Na"	64.015768
"1721927"	190.062893	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+NH4+HCOOH"	64.039293
"1186192"	64.9970846666667	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+3Na"	68.967654
"1654987"	195.018288	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Na+HCOOH"	68.994688
"159661"	328.96624	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+2K-H"	76.91904
"600315"	454.98984	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+2K-H"	76.91904
"1084578"	202.94264	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2K-H"	76.91904
"141761"	164.986758	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"2M+2K"	77.926316
"581807"	227.998558	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"3M+2K"	77.926316
"1071180"	101.974958	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2K"	77.926316
"1104394"	204.957192	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2K+H"	78.933592
"1341875"	205.044807	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+DMSO+H"	79.021207
"1012592"	209.083976	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2ACN+H"	83.060376
"1528530"	210.077608	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+IsoProp+Na+H"	84.054008
"994978"	105.045626	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+2ACN+2H"	84.067652
"1591667"	210.992228	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+K+HCOOH"	84.968628
"1416235"	241.023738	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+H+CF3COOH"	115.000138
"1149805"	125.558901	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+3ACN+2H"	125.094202
"1702642"	258.050285	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+NH4+CF3COOH"	132.026685
"1647041"	263.00568	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+Na+CF3COOH"	136.98208
"1581598"	278.97962	"C14451"	"4-Chlorotoluene"	"C7H7Cl"	"126.0236"	"M+K+CF3COOH"	152.95602
"813058"	87.0684	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M"	0
"985498"	68.05001	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-H2O-H"	-19.01839
"77020"	57.038324	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M-3H"	-3.021828
"515487"	86.061124	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M-3H"	-3.021828
"890009"	28.015524	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-3H"	-3.021828
"4211"	86.061124	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M-2H"	-2.014552
"451428"	129.595324	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M-2H"	-2.014552
"827044"	42.526924	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-2H"	-2.014552
"91410"	173.129524	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M-H"	-1.007276
"529878"	260.197924	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M-H"	-1.007276
"906583"	86.061124	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-H"	-1.007276
"52211"	190.156071	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M-2H+NH4"	16.019271
"499306"	277.224471	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M-2H+NH4"	16.019271
"876744"	103.087671	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-2H+NH4"	16.019271
"44524"	195.111466	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M-2H+Na"	20.974666
"475942"	282.179866	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M-2H+Na"	20.974666
"854108"	108.043066	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-2H+Na"	20.974666
"1624735"	108.043066	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Na-2H"	20.974666
"104180"	104.049463	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M-H+Cl"	33.962126
"547751"	147.583663	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M-H+Cl"	33.962126
"935068"	60.515263	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-H+Cl"	33.962126
"280184"	209.106202	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+Cl"	34.969402
"672606"	296.174602	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+Cl"	34.969402
"1282831"	122.037802	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Cl"	34.969402
"26482"	211.085406	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M-2H+K"	36.948606
"467134"	298.153806	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M-2H+K"	36.948606
"838374"	124.017006	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-2H+K"	36.948606
"1570212"	124.017006	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+K-2H"	36.948606
"955944"	132.066594	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-H+HCOOH"	44.998194
"371607"	219.135001	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+HCOOH-H"	44.998201
"359994"	233.150651	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+Hac-H"	59.013851
"1499586"	146.082251	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Hac-H"	59.013851
"969315"	154.048551	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-H+NaCOOH"	66.980151
"121504"	122.037802	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+2Cl"	69.938804
"554501"	165.572002	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+2Cl"	69.938804
"1022206"	78.503602	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2Cl"	69.938804
"1254911"	165.987285	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Br"	78.918885
"1311889"	168.043272	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Cl+HCOOH"	80.974872
"1334136"	190.025229	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Cl+NaCOOH"	102.956829
"924830"	200.053986	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M-H+CF3COOH"	112.985586
"1303358"	236.030664	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Cl+CF3COOH"	148.962264
"1382248"	52.055724	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H-2H2O"	-35.012676
"1397555"	70.0657	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H-H2O"	-17.0027
"295785"	175.144076	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+H"	1.007276
"678368"	262.212476	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+H"	1.007276
"1355807"	88.075676	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H"	1.007276
"129792"	88.075676	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+2H"	2.014552
"577005"	131.609876	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+2H"	2.014552
"1046900"	44.541476	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2H"	2.014552
"214800"	59.052876	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+3H"	3.021828
"659101"	88.075676	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+3H"	3.021828
"1169568"	30.030076	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+3H"	3.021828
"436854"	192.170623	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+NH4"	18.033823
"795661"	279.239023	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+NH4"	18.033823
"1686888"	105.102223	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+NH4"	18.033823
"336260"	96.5889495	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+H+NH4"	19.041099
"725762"	140.1231495	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+H+NH4"	19.041099
"1483957"	53.0547495	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H+NH4"	19.041099
"400816"	197.126018	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+Na"	22.989218
"763998"	284.194418	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+Na"	22.989218
"1614285"	110.057618	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Na"	22.989218
"324322"	99.066647	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+H+Na"	23.996494
"716743"	142.600847	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+H+Na"	23.996494
"1469472"	55.532447	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H+Na"	23.996494
"1061624"	37.35739	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2H+Na"	25.00377
"1262209"	120.101886	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+CH3OH+H"	33.033486
"382973"	213.099958	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+K"	38.963158
"746158"	300.168358	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+K"	38.963158
"1539883"	126.031558	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+K"	38.963158
"298869"	107.053617	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+H+K"	39.970434
"691656"	150.587817	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+H+K"	39.970434
"1448352"	63.519417	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H+K"	39.970434
"241331"	216.170626	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+ACN+H"	42.033826
"1216222"	129.102226	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+ACN+H"	42.033826
"1199742"	65.054751	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+ACN+2H"	43.041102
"195170"	219.10796	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+2Na-H"	44.97116
"641294"	306.17636	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+2Na-H"	44.97116
"1145772"	132.03956	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2Na-H"	44.97116
"186999"	110.057618	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+2Na"	45.978436
"625838"	153.591818	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+2Na"	45.978436
"1127518"	66.523418	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2Na"	45.978436
"1409218"	44.684704	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H+2Na"	46.985712
"1443155"	134.081146	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H+HCOOH"	47.012746
"229932"	115.09064	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+3H2O+2H"	56.04448
"1517994"	148.13319	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+IsoProp+H"	61.06479
"416591"	118.044588	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+Na+K"	61.952376
"779773"	161.578788	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+Na+K"	61.952376
"1675009"	74.510388	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Na+K"	61.952376
"259346"	238.152568	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+ACN+Na"	64.015768
"1236426"	151.084168	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+ACN+Na"	64.015768
"1720580"	151.107693	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+NH4+HCOOH"	64.039293
"1184116"	52.012018	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+3Na"	68.967654
"1653274"	156.063088	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Na+HCOOH"	68.994688
"158677"	251.05584	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+2K-H"	76.91904
"600425"	338.12424	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+2K-H"	76.91904
"1089312"	163.98744	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2K-H"	76.91904
"142114"	126.031558	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"2M+2K"	77.926316
"582038"	169.565758	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"3M+2K"	77.926316
"1071290"	82.497358	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2K"	77.926316
"1104504"	166.001992	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2K+H"	78.933592
"1340892"	166.089607	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+DMSO+H"	79.021207
"1009421"	170.128776	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2ACN+H"	83.060376
"1527545"	171.122408	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+IsoProp+Na+H"	84.054008
"992899"	85.568026	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+2ACN+2H"	84.067652
"1589588"	172.037028	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+K+HCOOH"	84.968628
"1416345"	202.068538	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+H+CF3COOH"	115.000138
"1149186"	106.081301	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+3ACN+2H"	125.094202
"1706032"	219.095085	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+NH4+CF3COOH"	132.026685
"1647151"	224.05048	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+Na+CF3COOH"	136.98208
"1581708"	240.02442	"C14452"	"Morpholine;Tetrahydro-14-oxazine"	"C4H9NO"	"87.0684"	"M+K+CF3COOH"	152.95602
"808793"	171.9524	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M"	0
"988887"	152.93401	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H2O-H"	-19.01839
"76037"	113.627657333333	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-3H"	-3.021828
"518435"	170.945124	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-3H"	-3.021828
"887932"	56.3101906666667	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-3H"	-3.021828
"4321"	170.945124	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H"	-2.014552
"448258"	256.921324	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H"	-2.014552
"822779"	84.968924	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H"	-2.014552
"89333"	342.897524	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-H"	-1.007276
"531081"	514.849924	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-H"	-1.007276
"905600"	170.945124	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H"	-1.007276
"49769"	359.924071	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H+NH4"	16.019271
"499537"	531.876471	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H+NH4"	16.019271
"870779"	187.971671	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H+NH4"	16.019271
"41960"	364.879466	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H+Na"	20.974666
"476052"	536.831866	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H+Na"	20.974666
"852031"	192.927066	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H+Na"	20.974666
"1625573"	192.927066	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na-2H"	20.974666
"104290"	188.933463	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-H+Cl"	33.962126
"548223"	274.909663	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-H+Cl"	33.962126
"938458"	102.957263	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+Cl"	33.962126
"280295"	378.874202	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Cl"	34.969402
"673568"	550.826602	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+Cl"	34.969402
"1281848"	206.921802	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl"	34.969402
"25499"	380.853406	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H+K"	36.948606
"466151"	552.805806	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H+K"	36.948606
"837391"	208.901006	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H+K"	36.948606
"1568535"	208.901006	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K-2H"	36.948606
"956420"	216.950594	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+HCOOH"	44.998194
"372445"	388.903001	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+HCOOH-H"	44.998201
"360343"	402.918651	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Hac-H"	59.013851
"1501883"	230.966251	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Hac-H"	59.013851
"962864"	238.932551	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+NaCOOH"	66.980151
"121614"	206.921802	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2Cl"	69.938804
"554611"	292.898002	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2Cl"	69.938804
"1021504"	120.945602	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2Cl"	69.938804
"1255021"	250.871285	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Br"	78.918885
"1310906"	252.927272	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl+HCOOH"	80.974872
"1334975"	274.909229	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl+NaCOOH"	102.956829
"926518"	284.937986	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+CF3COOH"	112.985586
"1303102"	320.914664	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl+CF3COOH"	148.962264
"1381261"	136.939724	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H-2H2O"	-35.012676
"1396207"	154.9497	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H-H2O"	-17.0027
"295895"	344.912076	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H"	1.007276
"677385"	516.864476	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H"	1.007276
"1354826"	172.959676	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H"	1.007276
"129171"	172.959676	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2H"	2.014552
"573835"	258.935876	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2H"	2.014552
"1042271"	86.983476	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2H"	2.014552
"217097"	115.642209333333	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+3H"	3.021828
"659574"	172.959676	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+3H"	3.021828
"1171866"	58.3247426666667	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+3H"	3.021828
"435871"	361.938623	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+NH4"	18.033823
"799903"	533.891023	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+NH4"	18.033823
"1688821"	189.986223	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+NH4"	18.033823
"339288"	181.4729495	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H+NH4"	19.041099
"724779"	267.4491495	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H+NH4"	19.041099
"1481153"	95.4967495	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+NH4"	19.041099
"399833"	366.894018	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Na"	22.989218
"760827"	538.846418	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+Na"	22.989218
"1614394"	194.941618	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na"	22.989218
"317869"	183.950647	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H+Na"	23.996494
"715759"	269.926847	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H+Na"	23.996494
"1467395"	97.974447	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+Na"	23.996494
"1059547"	65.6520566666667	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2H+Na"	25.00377
"1260496"	204.985886	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+CH3OH+H"	33.033486
"384176"	382.867958	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+K"	38.963158
"744081"	554.820358	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+K"	38.963158
"1539905"	210.915558	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K"	38.963158
"298855"	191.937617	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H+K"	39.970434
"692820"	277.913817	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H+K"	39.970434
"1448462"	105.961417	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+K"	39.970434
"242534"	385.938626	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+ACN+H"	42.033826
"1215239"	213.986226	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+ACN+H"	42.033826
"1199488"	107.496751	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+ACN+2H"	43.041102
"196373"	388.87596	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2Na-H"	44.97116
"640311"	560.82836	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2Na-H"	44.97116
"1144912"	216.92356	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2Na-H"	44.97116
"186017"	194.941618	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2Na"	45.978436
"619016"	280.917818	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2Na"	45.978436
"1128963"	108.965418	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2Na"	45.978436
"1409326"	72.9793706666667	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+2Na"	46.985712
"1438162"	218.965146	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+HCOOH"	47.012746
"233933"	199.97464	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+3H2O+2H"	56.04448
"1515917"	233.01719	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+IsoProp+H"	61.06479
"416697"	202.928588	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Na+K"	61.952376
"779883"	288.904788	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+Na+K"	61.952376
"1672932"	116.952388	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na+K"	61.952376
"258363"	407.920568	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+ACN+Na"	64.015768
"1235443"	235.968168	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+ACN+Na"	64.015768
"1719963"	235.991693	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+NH4+HCOOH"	64.039293
"1182040"	80.3066846666667	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+3Na"	68.967654
"1653021"	240.947088	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na+HCOOH"	68.994688
"159881"	420.82384	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2K-H"	76.91904
"599443"	592.77624	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2K-H"	76.91904
"1088329"	248.87144	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2K-H"	76.91904
"141863"	210.915558	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2K"	77.926316
"582148"	296.891758	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2K"	77.926316
"1072493"	124.939358	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2K"	77.926316
"1102428"	250.885992	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2K+H"	78.933592
"1342095"	250.973607	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+DMSO+H"	79.021207
"1010624"	255.012776	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2ACN+H"	83.060376
"1530935"	256.006408	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+IsoProp+Na+H"	84.054008
"993009"	128.010026	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2ACN+2H"	84.067652
"1588970"	256.921028	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K+HCOOH"	84.968628
"1416452"	286.952538	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+CF3COOH"	115.000138
"1147960"	148.523301	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+3ACN+2H"	125.094202
"1702862"	303.979085	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+NH4+CF3COOH"	132.026685
"1643981"	308.93448	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na+CF3COOH"	136.98208
"1581818"	324.90842	"C14453"	"4-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K+CF3COOH"	152.95602
"808903"	327.7734	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M"	0
"988269"	308.75501	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-H2O-H"	-19.01839
"76147"	217.508324	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M-3H"	-3.021828
"517774"	326.766124	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M-3H"	-3.021828
"888042"	108.250524	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-3H"	-3.021828
"4431"	326.766124	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M-2H"	-2.014552
"448368"	490.652824	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M-2H"	-2.014552
"821795"	162.879424	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-2H"	-2.014552
"81788"	654.539524	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M-H"	-1.007276
"529002"	982.312924	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M-H"	-1.007276
"900607"	326.766124	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-H"	-1.007276
"49515"	671.566071	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M-2H+NH4"	16.019271
"496367"	999.339471	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M-2H+NH4"	16.019271
"871253"	343.792671	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-2H+NH4"	16.019271
"42070"	676.521466	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M-2H+Na"	20.974666
"476162"	1004.294866	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M-2H+Na"	20.974666
"852870"	348.748066	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-2H+Na"	20.974666
"1622402"	348.748066	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Na-2H"	20.974666
"104400"	344.754463	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M-H+Cl"	33.962126
"547240"	508.641163	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M-H+Cl"	33.962126
"939662"	180.867763	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-H+Cl"	33.962126
"280405"	690.516202	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+Cl"	34.969402
"672826"	1018.289602	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+Cl"	34.969402
"1286207"	362.742802	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Cl"	34.969402
"26702"	692.495406	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M-2H+K"	36.948606
"466260"	1020.268806	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M-2H+K"	36.948606
"838594"	364.722006	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-2H+K"	36.948606
"1567917"	364.722006	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+K-2H"	36.948606
"954343"	372.771594	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-H+HCOOH"	44.998194
"372555"	700.545001	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+HCOOH-H"	44.998201
"358266"	714.560651	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+Hac-H"	59.013851
"1501993"	386.787251	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Hac-H"	59.013851
"961880"	394.753551	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-H+NaCOOH"	66.980151
"120630"	362.742802	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+2Cl"	69.938804
"552534"	526.629502	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+2Cl"	69.938804
"1022546"	198.856102	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2Cl"	69.938804
"1252944"	406.692285	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Br"	78.918885
"1312109"	408.748272	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Cl+HCOOH"	80.974872
"1334353"	430.730229	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Cl+NaCOOH"	102.956829
"925410"	440.758986	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M-H+CF3COOH"	112.985586
"1297376"	476.735664	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Cl+CF3COOH"	148.962264
"1378455"	292.760724	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H-2H2O"	-35.012676
"1394859"	310.7707	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H-H2O"	-17.0027
"293817"	656.554076	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+H"	1.007276
"676116"	984.327476	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+H"	1.007276
"1352018"	328.780676	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H"	1.007276
"128187"	328.780676	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+2H"	2.014552
"576132"	492.667376	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+2H"	2.014552
"1044203"	164.893976	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2H"	2.014552
"213927"	219.522876	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+3H"	3.021828
"655673"	328.780676	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+3H"	3.021828
"1171976"	110.265076	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+3H"	3.021828
"435979"	673.580623	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+NH4"	18.033823
"796974"	1001.354023	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+NH4"	18.033823
"1688203"	345.807223	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+NH4"	18.033823
"337213"	337.2939495	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+H+NH4"	19.041099
"724890"	501.1806495	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+H+NH4"	19.041099
"1482357"	173.4072495	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H+NH4"	19.041099
"398850"	678.536018	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+Na"	22.989218
"758750"	1006.309418	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+Na"	22.989218
"1611225"	350.762618	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Na"	22.989218
"317979"	339.771647	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+H+Na"	23.996494
"714776"	503.658347	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+H+Na"	23.996494
"1467505"	175.884947	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H+Na"	23.996494
"1059657"	117.59239	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2H+Na"	25.00377
"1260242"	360.806886	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+CH3OH+H"	33.033486
"384286"	694.509958	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+K"	38.963158
"745284"	1022.283358	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+K"	38.963158
"1540172"	366.736558	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+K"	38.963158
"299776"	347.758617	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+H+K"	39.970434
"693658"	511.645317	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+H+K"	39.970434
"1448572"	183.871917	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H+K"	39.970434
"240456"	697.580626	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+ACN+H"	42.033826
"1215349"	369.807226	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+ACN+H"	42.033826
"1199231"	185.407251	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+ACN+2H"	43.041102
"193564"	700.51796	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+2Na-H"	44.97116
"642243"	1028.29136	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+2Na-H"	44.97116
"1142833"	372.74456	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2Na-H"	44.97116
"186248"	350.762618	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+2Na"	45.978436
"619126"	514.649318	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+2Na"	45.978436
"1129073"	186.875918	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2Na"	45.978436
"1409436"	124.919704	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H+2Na"	46.985712
"1438272"	374.786146	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H+HCOOH"	47.012746
"232340"	355.79564	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+3H2O+2H"	56.04448
"1516028"	388.83819	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+IsoProp+H"	61.06479
"416808"	358.749588	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+Na+K"	61.952376
"778900"	522.636288	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+Na+K"	61.952376
"1670855"	194.862888	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Na+K"	61.952376
"260659"	719.562568	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+ACN+Na"	64.015768
"1232273"	391.789168	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+ACN+Na"	64.015768
"1716793"	391.812693	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+NH4+HCOOH"	64.039293
"1185424"	132.247018	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+3Na"	68.967654
"1650945"	396.768088	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Na+HCOOH"	68.994688
"159991"	732.46584	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+2K-H"	76.91904
"599553"	1060.23924	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+2K-H"	76.91904
"1088439"	404.69244	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2K-H"	76.91904
"142094"	366.736558	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"2M+2K"	77.926316
"581473"	530.623258	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"3M+2K"	77.926316
"1072603"	202.849858	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2K"	77.926316
"1102538"	406.706992	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2K+H"	78.933592
"1341112"	406.794607	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+DMSO+H"	79.021207
"1009641"	410.833776	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2ACN+H"	83.060376
"1528858"	411.827408	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+IsoProp+Na+H"	84.054008
"994212"	205.920526	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+2ACN+2H"	84.067652
"1589809"	412.742028	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+K+HCOOH"	84.968628
"1416562"	442.773538	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+H+CF3COOH"	115.000138
"1150135"	226.433801	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+3ACN+2H"	125.094202
"1702972"	459.800085	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+NH4+CF3COOH"	132.026685
"1644091"	464.75548	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+Na+CF3COOH"	136.98208
"1581928"	480.72942	"C14454"	"246-Tribromophenol"	"C6H3Br3O"	"327.7734"	"M+K+CF3COOH"	152.95602
"809013"	121.0891	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M"	0
"988743"	102.07071	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-H2O-H"	-19.01839
"77351"	79.7187906666667	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M-3H"	-3.021828
"517965"	120.081824	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M-3H"	-3.021828
"888152"	39.3557573333333	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-3H"	-3.021828
"6729"	120.081824	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H"	-2.014552
"446292"	180.626374	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H"	-2.014552
"820812"	59.537274	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H"	-2.014552
"81898"	241.170924	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M-H"	-1.007276
"529112"	362.260024	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M-H"	-1.007276
"900717"	120.081824	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-H"	-1.007276
"49015"	258.197471	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H+NH4"	16.019271
"496477"	379.286571	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H+NH4"	16.019271
"871363"	137.108371	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H+NH4"	16.019271
"42180"	263.152866	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H+Na"	20.974666
"477365"	384.241966	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H+Na"	20.974666
"851887"	142.063766	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H+Na"	20.974666
"1620447"	142.063766	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na-2H"	20.974666
"103417"	138.070163	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M-H+Cl"	33.962126
"546257"	198.614713	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M-H+Cl"	33.962126
"940865"	77.525613	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+Cl"	33.962126
"280515"	277.147602	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Cl"	34.969402
"670749"	398.236702	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+Cl"	34.969402
"1284252"	156.058502	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl"	34.969402
"27906"	279.126806	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M-2H+K"	36.948606
"465277"	400.215906	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M-2H+K"	36.948606
"838704"	158.037706	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-2H+K"	36.948606
"1560004"	158.037706	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+K-2H"	36.948606
"955546"	166.087294	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+HCOOH"	44.998194
"371571"	287.176401	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+HCOOH-H"	44.998201
"356190"	301.192051	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Hac-H"	59.013851
"1501739"	180.102951	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Hac-H"	59.013851
"960897"	188.069251	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+NaCOOH"	66.980151
"120740"	156.058502	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2Cl"	69.938804
"552644"	216.603052	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2Cl"	69.938804
"1022047"	95.513952	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2Cl"	69.938804
"1243208"	200.007985	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Br"	78.918885
"1304393"	202.063972	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl+HCOOH"	80.974872
"1329723"	224.045929	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl+NaCOOH"	102.956829
"924061"	234.074686	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M-H+CF3COOH"	112.985586
"1294206"	270.051364	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Cl+CF3COOH"	148.962264
"1375649"	86.076424	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H-2H2O"	-35.012676
"1394240"	104.0864	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H-H2O"	-17.0027
"289554"	243.185476	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H"	1.007276
"681975"	364.274576	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H"	1.007276
"1352126"	122.096376	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H"	1.007276
"127566"	122.096376	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2H"	2.014552
"567857"	182.640926	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2H"	2.014552
"1039937"	61.551826	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2H"	2.014552
"207110"	81.7333426666667	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+3H"	3.021828
"649951"	122.096376	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+3H"	3.021828
"1169536"	41.3703093333333	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+3H"	3.021828
"427340"	260.212023	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+NH4"	18.033823
"793074"	381.301123	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+NH4"	18.033823
"1684302"	139.122923	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+NH4"	18.033823
"333675"	130.6096495	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H+NH4"	19.041099
"722901"	191.1541995	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H+NH4"	19.041099
"1477724"	70.0650995	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+NH4"	19.041099
"394585"	265.167418	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Na"	22.989218
"756670"	386.256518	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+Na"	22.989218
"1608052"	144.078318	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na"	22.989218
"315904"	133.087347	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H+Na"	23.996494
"710875"	193.631897	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H+Na"	23.996494
"1464335"	72.542797	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+Na"	23.996494
"1055394"	48.6976233333333	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2H+Na"	25.00377
"1258772"	154.122586	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+CH3OH+H"	33.033486
"381116"	281.141358	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+K"	38.963158
"741018"	402.230458	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+K"	38.963158
"1540643"	160.052258	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+K"	38.963158
"298677"	141.074317	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+H+K"	39.970434
"693768"	201.618867	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+H+K"	39.970434
"1446859"	80.529767	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+K"	39.970434
"236552"	284.212026	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+ACN+H"	42.033826
"1211446"	163.122926	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+ACN+H"	42.033826
"1197155"	82.065101	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+ACN+2H"	43.041102
"192217"	287.14936	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2Na-H"	44.97116
"632144"	408.23846	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2Na-H"	44.97116
"1142943"	166.06026	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2Na-H"	44.97116
"187695"	144.078318	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2Na"	45.978436
"619236"	204.622868	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2Na"	45.978436
"1126022"	83.533768	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2Na"	45.978436
"1409546"	56.0249373333333	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+2Na"	46.985712
"1436195"	168.101846	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+HCOOH"	47.012746
"229170"	149.11134	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+3H2O+2H"	56.04448
"1518323"	182.15389	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+IsoProp+H"	61.06479
"415824"	152.065288	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+Na+K"	61.952376
"779010"	212.609838	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+Na+K"	61.952376
"1671330"	91.520738	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na+K"	61.952376
"260769"	306.193968	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+ACN+Na"	64.015768
"1230560"	185.104868	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+ACN+Na"	64.015768
"1720183"	185.128393	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+NH4+HCOOH"	64.039293
"1183350"	63.3522513333333	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+3Na"	68.967654
"1652149"	190.083788	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na+HCOOH"	68.994688
"160102"	319.09724	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2K-H"	76.91904
"602943"	440.18634	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2K-H"	76.91904
"1090736"	198.00814	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2K-H"	76.91904
"142321"	160.052258	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"2M+2K"	77.926316
"582002"	220.596808	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"3M+2K"	77.926316
"1070527"	99.507708	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2K"	77.926316
"1102648"	200.022692	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2K+H"	78.933592
"1341222"	200.110307	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+DMSO+H"	79.021207
"1016313"	204.149476	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2ACN+H"	83.060376
"1527875"	205.143108	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+IsoProp+Na+H"	84.054008
"994322"	102.578376	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+2ACN+2H"	84.067652
"1592107"	206.057728	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+K+HCOOH"	84.968628
"1416672"	236.089238	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+H+CF3COOH"	115.000138
"1150245"	123.091651	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+3ACN+2H"	125.094202
"1703082"	253.115785	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+NH4+CF3COOH"	132.026685
"1644201"	258.07118	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+Na+CF3COOH"	136.98208
"1582038"	274.04512	"C14455"	"N-Ethylaniline;N-Ethylbenzenamine"	"C8H11N"	"121.0891"	"M+K+CF3COOH"	152.95602
"816851"	156.9931	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M"	0
"988855"	137.97471	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H2O-H"	-19.01839
"77462"	103.654790666667	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-3H"	-3.021828
"515927"	155.985824	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-3H"	-3.021828
"891542"	51.3237573333333	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-3H"	-3.021828
"3561"	155.985824	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H"	-2.014552
"447497"	234.482374	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H"	-2.014552
"827485"	77.489274	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H"	-2.014552
"84196"	312.978924	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-H"	-1.007276
"529225"	469.972024	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-H"	-1.007276
"903744"	155.985824	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H"	-1.007276
"50099"	330.005471	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+NH4"	16.019271
"496587"	486.998571	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+NH4"	16.019271
"874389"	173.012371	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+NH4"	16.019271
"45206"	334.960866	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+Na"	20.974666
"476382"	491.953966	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+Na"	20.974666
"854184"	177.967766	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+Na"	20.974666
"1622623"	177.967766	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na-2H"	20.974666
"105714"	173.974163	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-H+Cl"	33.962126
"548553"	252.470713	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-H+Cl"	33.962126
"940976"	95.477613	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+Cl"	33.962126
"280626"	348.955602	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Cl"	34.969402
"673047"	505.948702	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Cl"	34.969402
"1285455"	191.962502	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl"	34.969402
"23638"	350.934806	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+K"	36.948606
"467574"	507.927906	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+K"	36.948606
"837721"	193.941706	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+K"	36.948606
"1562302"	193.941706	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K-2H"	36.948606
"956384"	201.991294	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+HCOOH"	44.998194
"372775"	358.984401	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+HCOOH-H"	44.998201
"358851"	373.000051	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Hac-H"	59.013851
"1502213"	216.006951	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Hac-H"	59.013851
"961007"	223.973251	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+NaCOOH"	66.980151
"120850"	191.962502	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Cl"	69.938804
"551903"	270.459052	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Cl"	69.938804
"1021427"	113.465952	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Cl"	69.938804
"1244411"	235.911985	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Br"	78.918885
"1307954"	237.967972	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+HCOOH"	80.974872
"1333113"	259.949929	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+NaCOOH"	102.956829
"925264"	269.978686	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+CF3COOH"	112.985586
"1297598"	305.955364	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+CF3COOH"	148.962264
"1376853"	121.980424	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H-2H2O"	-35.012676
"1395444"	139.9904	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H-H2O"	-17.0027
"296223"	314.993476	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H"	1.007276
"690103"	471.986576	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H"	1.007276
"1354426"	158.000376	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H"	1.007276
"130596"	158.000376	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2H"	2.014552
"573073"	236.496926	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2H"	2.014552
"1043331"	79.503826	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2H"	2.014552
"210137"	105.669342666667	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+3H"	3.021828
"651520"	158.000376	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+3H"	3.021828
"1172927"	53.3383093333333	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3H"	3.021828
"430730"	332.020023	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+NH4"	18.033823
"793184"	489.013123	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+NH4"	18.033823
"1687330"	175.026923	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4"	18.033823
"335608"	166.5136495	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+NH4"	19.041099
"724382"	245.0101995	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+NH4"	19.041099
"1480391"	88.0170995	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+NH4"	19.041099
"395063"	336.975418	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Na"	22.989218
"755689"	493.968518	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Na"	22.989218
"1605974"	179.982318	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na"	22.989218
"317107"	168.991347	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+Na"	23.996494
"712808"	247.487897	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+Na"	23.996494
"1467724"	90.494797	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+Na"	23.996494
"1054410"	60.6656233333333	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2H+Na"	25.00377
"1261556"	190.026586	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+CH3OH+H"	33.033486
"380495"	352.949358	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+K"	38.963158
"741130"	509.942458	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+K"	38.963158
"1542453"	195.956258	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K"	38.963158
"300358"	176.978317	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+K"	39.970434
"697160"	255.474867	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+K"	39.970434
"1449886"	98.481767	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+K"	39.970434
"237028"	356.020026	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+ACN+H"	42.033826
"1212288"	199.026926	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+H"	42.033826
"1198358"	100.017101	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+2H"	43.041102
"194877"	358.95736	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Na-H"	44.97116
"631524"	515.95046	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Na-H"	44.97116
"1137585"	201.96426	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Na-H"	44.97116
"181970"	179.982318	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Na"	45.978436
"627730"	258.478868	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Na"	45.978436
"1129412"	101.485768	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Na"	45.978436
"1409655"	67.9929373333333	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+2Na"	46.985712
"1440676"	204.005846	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+HCOOH"	47.012746
"230370"	185.01534	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+3H2O+2H"	56.04448
"1521715"	218.05789	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+IsoProp+H"	61.06479
"417027"	187.969288	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Na+K"	61.952376
"775839"	266.465838	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Na+K"	61.952376
"1677638"	109.472738	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+K"	61.952376
"257599"	378.001968	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+ACN+Na"	64.015768
"1229576"	221.008868	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+Na"	64.015768
"1718101"	221.032393	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4+HCOOH"	64.039293
"1190018"	75.3202513333333	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3Na"	68.967654
"1656634"	225.987788	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+HCOOH"	68.994688
"160212"	390.90524	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2K-H"	76.91904
"606333"	547.89834	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2K-H"	76.91904
"1093033"	233.91214	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K-H"	76.91904
"143288"	195.956258	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2K"	77.926316
"582113"	274.452808	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2K"	77.926316
"1069417"	117.459708	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K"	77.926316
"1102758"	235.926692	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K+H"	78.933592
"1342425"	236.014307	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+DMSO+H"	79.021207
"1013146"	240.053476	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2ACN+H"	83.060376
"1531267"	241.047108	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+IsoProp+Na+H"	84.054008
"993340"	120.530376	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2ACN+2H"	84.067652
"1592217"	241.961728	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K+HCOOH"	84.968628
"1416783"	271.993238	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+CF3COOH"	115.000138
"1151449"	141.043651	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3ACN+2H"	125.094202
"1703192"	289.019785	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4+CF3COOH"	132.026685
"1635560"	293.97518	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+CF3COOH"	136.98208
"1582148"	309.94912	"C14456"	"4-Chloronitrobenzene;1-Chloro-4-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K+CF3COOH"	152.95602
"809233"	213.1048	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M"	0
"974488"	194.08641	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-H2O-H"	-19.01839
"62896"	141.062590666667	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M-3H"	-3.021828
"505099"	212.097524	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M-3H"	-3.021828
"888366"	70.0276573333333	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-3H"	-3.021828
"4765"	212.097524	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M-2H"	-2.014552
"451982"	318.649924	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M-2H"	-2.014552
"826503"	105.545124	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-2H"	-2.014552
"89775"	425.202324	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M-H"	-1.007276
"530428"	638.307124	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M-H"	-1.007276
"903854"	212.097524	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-H"	-1.007276
"53125"	442.228871	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M-2H+NH4"	16.019271
"495604"	655.333671	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M-2H+NH4"	16.019271
"874499"	229.124071	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-2H+NH4"	16.019271
"41307"	447.184266	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M-2H+Na"	20.974666
"472482"	660.289066	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M-2H+Na"	20.974666
"852471"	234.079466	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-2H+Na"	20.974666
"1622733"	234.079466	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Na-2H"	20.974666
"104730"	230.085863	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M-H+Cl"	33.962126
"542102"	336.638263	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M-H+Cl"	33.962126
"937805"	123.533463	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-H+Cl"	33.962126
"277454"	461.179002	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+Cl"	34.969402
"670969"	674.283802	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+Cl"	34.969402
"1282285"	248.074202	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Cl"	34.969402
"23748"	463.158206	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M-2H+K"	36.948606
"466590"	676.263006	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M-2H+K"	36.948606
"836737"	250.053406	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-2H+K"	36.948606
"1561319"	250.053406	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+K-2H"	36.948606
"953578"	258.102994	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-H+HCOOH"	44.998194
"370698"	471.207801	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+HCOOH-H"	44.998201
"359328"	485.223451	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+Hac-H"	59.013851
"1502323"	272.118651	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Hac-H"	59.013851
"960145"	280.084951	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-H+NaCOOH"	66.980151
"120960"	248.074202	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+2Cl"	69.938804
"551771"	354.626602	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+2Cl"	69.938804
"1021383"	141.521802	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2Cl"	69.938804
"1242335"	292.023685	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Br"	78.918885
"1306971"	294.079672	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Cl+HCOOH"	80.974872
"1331036"	316.061629	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Cl+NaCOOH"	102.956829
"924281"	326.090386	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M-H+CF3COOH"	112.985586
"1297708"	362.067064	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Cl+CF3COOH"	148.962264
"1376963"	178.092124	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H-2H2O"	-35.012676
"1397377"	196.1021	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H-H2O"	-17.0027
"293055"	427.216876	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+H"	1.007276
"684381"	640.321676	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+H"	1.007276
"1352715"	214.112076	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H"	1.007276
"130706"	214.112076	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+2H"	2.014552
"574275"	320.664476	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+2H"	2.014552
"1040889"	107.559676	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2H"	2.014552
"214257"	143.077142666667	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+3H"	3.021828
"651630"	214.112076	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+3H"	3.021828
"1171943"	72.0422093333333	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+3H"	3.021828
"427924"	444.243423	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+NH4"	18.033823
"794023"	657.348223	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+NH4"	18.033823
"1688168"	231.138623	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+NH4"	18.033823
"335354"	222.6253495	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+H+NH4"	19.041099
"725587"	329.1777495	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+H+NH4"	19.041099
"1480500"	116.0729495	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H+NH4"	19.041099
"394080"	449.198818	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+Na"	22.989218
"755190"	662.303618	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+Na"	22.989218
"1603290"	236.094018	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Na"	22.989218
"320497"	225.103047	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+H+Na"	23.996494
"711825"	331.655447	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+H+Na"	23.996494
"1467833"	118.550647	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H+Na"	23.996494
"1055248"	79.3695233333333	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2H+Na"	25.00377
"1261667"	246.138286	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+CH3OH+H"	33.033486
"385709"	465.172758	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+K"	38.963158
"743426"	678.277558	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+K"	38.963158
"1545479"	252.067958	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+K"	38.963158
"299741"	233.090017	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+H+K"	39.970434
"692897"	339.642417	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+H+K"	39.970434
"1449266"	126.537617	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H+K"	39.970434
"236774"	468.243426	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+ACN+H"	42.033826
"1211305"	255.138626	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+ACN+H"	42.033826
"1196282"	128.072951	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+ACN+2H"	43.041102
"191340"	471.18076	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+2Na-H"	44.97116
"629448"	684.28556	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+2Na-H"	44.97116
"1137695"	258.07596	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2Na-H"	44.97116
"178800"	236.094018	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+2Na"	45.978436
"626017"	342.646418	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+2Na"	45.978436
"1126242"	129.541618	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2Na"	45.978436
"1409765"	86.6968373333333	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H+2Na"	46.985712
"1440786"	260.117546	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H+HCOOH"	47.012746
"230480"	241.12704	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+3H2O+2H"	56.04448
"1517451"	274.16959	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+IsoProp+H"	61.06479
"421510"	244.080988	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+Na+K"	61.952376
"778137"	350.633388	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+Na+K"	61.952376
"1677748"	137.528588	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Na+K"	61.952376
"260989"	490.225368	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+ACN+Na"	64.015768
"1229686"	277.120568	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+ACN+Na"	64.015768
"1718217"	277.144093	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+NH4+HCOOH"	64.039293
"1185755"	94.0241513333333	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+3Na"	68.967654
"1654554"	282.099488	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Na+HCOOH"	68.994688
"158377"	503.12864	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+2K-H"	76.91904
"600976"	716.23344	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+2K-H"	76.91904
"1093145"	290.02384	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2K-H"	76.91904
"145586"	252.067958	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"2M+2K"	77.926316
"581612"	358.620358	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"3M+2K"	77.926316
"1069776"	145.515558	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2K"	77.926316
"1102868"	292.038392	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2K+H"	78.933592
"1346914"	292.126007	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+DMSO+H"	79.021207
"1014349"	296.165176	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2ACN+H"	83.060376
"1533566"	297.158808	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+IsoProp+Na+H"	84.054008
"1000013"	148.586226	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+2ACN+2H"	84.067652
"1593424"	298.073428	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+K+HCOOH"	84.968628
"1418352"	328.104938	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+H+CF3COOH"	115.000138
"1153749"	169.099501	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+3ACN+2H"	125.094202
"1703303"	345.131485	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+NH4+CF3COOH"	132.026685
"1637860"	350.08688	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+Na+CF3COOH"	136.98208
"1582258"	366.06082	"C14457"	"Simetryn;24-Di(ethylamino)-6-methylthio-135-triazine"	"C8H15N5S"	"213.1048"	"M+K+CF3COOH"	152.95602
"806063"	272.0685	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M"	0
"977407"	253.05011	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"68930"	180.371724	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"511770"	271.061224	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"888476"	89.682224	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"7062"	271.061224	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"453064"	407.095474	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"828800"	135.026974	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"91950"	543.129724	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"528352"	815.198224	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"903964"	271.061224	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"50319"	560.156271	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"493527"	832.224771	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"874609"	288.087771	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"38137"	565.111666	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"473684"	837.180166	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"850756"	293.043166	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1622114"	293.043166	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"98278"	289.049563	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"542211"	425.083813	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"936819"	153.015313	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"275376"	579.106402	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"665976"	851.174902	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1285675"	307.037902	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"30420"	581.085606	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"467795"	853.154106	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"844503"	309.017106	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1570177"	309.017106	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"953688"	317.066694	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"376277"	589.135201	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"359437"	603.150851	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1502069"	331.082351	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"963414"	339.048651	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"119977"	307.037902	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"554068"	443.072152	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1023960"	171.003652	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1243539"	350.987385	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1309268"	353.043372	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1327866"	375.025329	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"922203"	385.054086	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1292351"	421.030764	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1373793"	237.055824	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1394571"	255.0658	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"296081"	545.144276	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"682304"	817.212776	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1352825"	273.075776	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"130452"	273.075776	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"578759"	409.110026	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1042094"	137.041526	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"214367"	182.386276	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"652833"	273.075776	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1172053"	91.696776	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"428034"	562.170823	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"797414"	834.239323	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1688280"	290.102323	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"335465"	281.5890495	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"724967"	417.6232995	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1478908"	145.5547995	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"394919"	567.126218	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"755183"	839.194718	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1607290"	295.057718	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"317330"	284.066747	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"710845"	420.100997	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1466851"	148.032497	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1056819"	99.02409	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1261777"	305.101986	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"383632"	583.100158	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"743536"	855.168658	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1542309"	311.031658	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"301312"	292.053717	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"693003"	428.087967	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1450104"	156.019467	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"238708"	586.170826	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1211414"	314.102326	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1196392"	157.554801	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"192544"	589.10816	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"630649"	861.17666	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1138169"	317.03966	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"186565"	295.057718	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"623213"	431.091968	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1126352"	159.023468	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1408419"	106.351404	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1437616"	319.081246	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"230590"	300.09074	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1520842"	333.13329	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"422352"	303.044688	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"778247"	439.078938	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1672387"	167.010438	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"263286"	608.152768	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1233807"	336.084268	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1720513"	336.107793	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1184772"	113.678718	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1655757"	341.063188	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"157755"	621.05604	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"604366"	893.12454	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1088879"	348.98754	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"145696"	311.031658	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"586347"	447.065908	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1070861"	174.997408	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1104071"	351.002092	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1347024"	351.089707	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1013366"	355.128876	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1533676"	356.122508	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1000123"	178.068076	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1593533"	357.037128	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1420285"	387.068638	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1152766"	198.581351	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1706693"	404.095185	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1637970"	409.05058	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1582368"	425.02452	"C14458"	"Dihydrogenistein;457-Trihydroxyisoflavan-4-one"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"806173"	268.0888	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"975690"	249.07041	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"63934"	177.718590666667	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"507506"	267.081524	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"887493"	88.3556573333333	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"6079"	267.081524	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"452202"	401.125924	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"829640"	133.037124	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"91088"	535.170324	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"530285"	803.259124	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"906261"	267.081524	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"50065"	552.196871	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"491815"	820.285671	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"873627"	284.108071	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"38611"	557.152266	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"475618"	825.241066	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"850866"	289.063466	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1622224"	289.063466	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"99481"	285.069863	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"545601"	419.114263	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"936929"	151.025463	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"279497"	571.147002	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"664628"	839.235802	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1285785"	303.058202	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"25061"	573.126206	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"466810"	841.215006	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"845706"	305.037406	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1567007"	305.037406	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"954164"	313.086994	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"375782"	581.175801	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"356996"	595.191451	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1502179"	327.102651	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"962430"	335.068951	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"117900"	303.058202	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"557458"	437.102602	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1023341"	169.013802	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1245836"	347.007685	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1310472"	349.063672	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1322509"	371.045629	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"920126"	381.074386	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1289787"	417.051064	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1370623"	233.076124	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1391400"	251.0861	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"289995"	537.184876	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"678041"	805.273676	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1351837"	269.096076	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"129469"	269.096076	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"571215"	403.140476	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1037421"	135.051676	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"211198"	179.733142666667	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"649665"	269.096076	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1173257"	90.3702093333333	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"428874"	554.211423	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"794242"	822.300223	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1689482"	286.122623	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"334479"	277.6093495	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"724712"	411.6537495	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1478895"	143.5649495	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"393446"	559.166818	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"755048"	827.255618	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1604481"	291.078018	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"317439"	280.087047	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"707917"	414.131447	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1462709"	146.042647	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1056929"	97.6975233333333	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1261887"	301.122286	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"384836"	575.140758	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"746925"	843.229558	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1542419"	307.051958	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"299963"	288.074017	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"692385"	422.118417	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1450214"	154.029617	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"238089"	578.211426	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1211401"	310.122626	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1195525"	155.564951	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"191923"	581.14876	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"632214"	849.23756	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1133538"	313.05996	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"182300"	291.078018	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"617488"	425.122418	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1123182"	157.033618	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1402695"	105.024837333333	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1437726"	315.101546	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"229607"	296.11104	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1519492"	329.15359	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"418815"	299.064988	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"776167"	433.109388	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1670676"	165.020588	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"256105"	600.193368	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1233917"	332.104568	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1717342"	332.128093	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1182695"	112.352151333333	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1653679"	337.083488	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"158714"	613.09664	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"603383"	881.18544	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1085709"	345.00784	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"144712"	307.051958	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"584271"	441.096358	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1069509"	173.007558	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1100531"	347.022392	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1343852"	347.110007	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1012382"	351.149176	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1533786"	352.142808	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"1000233"	176.078226	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1594737"	353.057428	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1418209"	383.088938	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1152876"	196.591501	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1706803"	400.115485	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1638080"	405.07088	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1579198"	421.04482	"C14459"	"2-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"806283"	182.0732	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M"	0
"975802"	163.05481	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-H2O-H"	-19.01839
"64772"	120.374857333333	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M-3H"	-3.021828
"508709"	181.065924	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M-3H"	-3.021828
"887603"	59.6837906666667	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-3H"	-3.021828
"11655"	181.065924	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M-2H"	-2.014552
"452313"	272.102524	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M-2H"	-2.014552
"830115"	90.029324	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-2H"	-2.014552
"91198"	363.139124	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M-H"	-1.007276
"532945"	545.212324	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M-H"	-1.007276
"907464"	181.065924	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-H"	-1.007276
"54184"	380.165671	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M-2H+NH4"	16.019271
"498121"	562.238871	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M-2H+NH4"	16.019271
"873736"	198.092471	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-2H+NH4"	16.019271
"39450"	385.121066	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M-2H+Na"	20.974666
"477915"	567.194266	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M-2H+Na"	20.974666
"850731"	203.047866	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-2H+Na"	20.974666
"1625250"	203.047866	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Na-2H"	20.974666
"99591"	199.054263	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M-H+Cl"	33.962126
"545711"	290.090863	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M-H+Cl"	33.962126
"938862"	108.017663	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-H+Cl"	33.962126
"280336"	399.115802	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+Cl"	34.969402
"670207"	581.189002	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+Cl"	34.969402
"1282615"	217.042602	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Cl"	34.969402
"25171"	401.095006	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M-2H+K"	36.948606
"468012"	583.168206	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M-2H+K"	36.948606
"845816"	219.021806	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-2H+K"	36.948606
"1567117"	219.021806	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+K-2H"	36.948606
"952816"	227.071394	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-H+HCOOH"	44.998194
"374676"	409.144601	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+HCOOH-H"	44.998201
"356012"	423.160251	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+Hac-H"	59.013851
"1502653"	241.087051	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Hac-H"	59.013851
"965821"	249.053351	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-H+NaCOOH"	66.980151
"118010"	217.042602	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+2Cl"	69.938804
"557568"	308.079202	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+2Cl"	69.938804
"1024180"	126.006002	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2Cl"	69.938804
"1247038"	260.992085	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Br"	78.918885
"1309485"	263.048072	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Cl+HCOOH"	80.974872
"1324804"	285.030029	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Cl+NaCOOH"	102.956829
"916956"	295.058786	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M-H+CF3COOH"	112.985586
"1289408"	331.035464	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Cl+CF3COOH"	148.962264
"1367571"	147.060524	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H-2H2O"	-35.012676
"1392603"	165.0705	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H-H2O"	-17.0027
"289011"	365.153676	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+H"	1.007276
"678150"	547.226876	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+H"	1.007276
"1352557"	183.080476	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H"	1.007276
"128484"	183.080476	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+2H"	2.014552
"570596"	274.117076	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+2H"	2.014552
"1039760"	92.043876	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2H"	2.014552
"211308"	122.389409333333	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+3H"	3.021828
"650869"	183.080476	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+3H"	3.021828
"1172274"	61.6983426666667	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+3H"	3.021828
"431170"	382.180223	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+NH4"	18.033823
"793259"	564.253423	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+NH4"	18.033823
"1686312"	200.107023	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+NH4"	18.033823
"334589"	191.5937495	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+H+NH4"	19.041099
"724944"	282.6303495	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+H+NH4"	19.041099
"1479738"	100.5571495	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H+NH4"	19.041099
"394775"	387.135618	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+Na"	22.989218
"755405"	569.208818	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+Na"	22.989218
"1605318"	205.062418	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Na"	22.989218
"315604"	194.071447	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+H+Na"	23.996494
"708877"	285.108047	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+H+Na"	23.996494
"1461964"	103.034847	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H+Na"	23.996494
"1053756"	69.0256566666667	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2H+Na"	25.00377
"1261996"	215.106686	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+CH3OH+H"	33.033486
"388226"	403.109558	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+K"	38.963158
"748128"	585.182758	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+K"	38.963158
"1542529"	221.036358	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+K"	38.963158
"300802"	202.058417	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+H+K"	39.970434
"693589"	293.095017	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+H+K"	39.970434
"1450324"	111.021817	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H+K"	39.970434
"241115"	406.180226	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+ACN+H"	42.033826
"1212729"	224.107026	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+ACN+H"	42.033826
"1197339"	112.557151	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+ACN+2H"	43.041102
"193855"	409.11756	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+2Na-H"	44.97116
"633051"	591.19076	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+2Na-H"	44.97116
"1136928"	227.04436	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2Na-H"	44.97116
"179130"	205.062418	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+2Na"	45.978436
"617596"	296.099018	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+2Na"	45.978436
"1121104"	114.025818	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2Na"	45.978436
"1402804"	76.3529706666667	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H+2Na"	46.985712
"1434188"	229.085946	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H+HCOOH"	47.012746
"228623"	210.09544	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+3H2O+2H"	56.04448
"1516685"	243.13799	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+IsoProp+H"	61.06479
"418559"	213.049388	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+Na+K"	61.952376
"777369"	304.085988	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+Na+K"	61.952376
"1671511"	122.012788	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Na+K"	61.952376
"256579"	428.162168	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+ACN+Na"	64.015768
"1232934"	246.088968	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+ACN+Na"	64.015768
"1716360"	246.112493	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+NH4+HCOOH"	64.039293
"1182440"	83.6802846666667	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+3Na"	68.967654
"1653790"	251.067888	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Na+HCOOH"	68.994688
"158826"	441.06544	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+2K-H"	76.91904
"601306"	623.13864	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+2K-H"	76.91904
"1085208"	258.99224	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2K-H"	76.91904
"144818"	221.036358	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"2M+2K"	77.926316
"582796"	312.072958	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"3M+2K"	77.926316
"1070470"	129.999758	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2K"	77.926316
"1102101"	261.006792	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2K+H"	78.933592
"1343963"	261.094407	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+DMSO+H"	79.021207
"1011400"	265.133576	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2ACN+H"	83.060376
"1533897"	266.127208	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+IsoProp+Na+H"	84.054008
"999250"	133.070426	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+2ACN+2H"	84.067652
"1593754"	267.041828	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+K+HCOOH"	84.968628
"1417227"	297.073338	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+H+CF3COOH"	115.000138
"1152986"	153.583701	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+3ACN+2H"	125.094202
"1706913"	314.099885	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+NH4+CF3COOH"	132.026685
"1648031"	319.05528	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+Na+CF3COOH"	136.98208
"1579308"	335.02922	"C14460"	"2-Hydroxyfluorene;Fluoren-2-ol"	"C13H10O"	"182.0732"	"M+K+CF3COOH"	152.95602
"806393"	268.0888	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"974480"	249.07041	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"71445"	177.718590666667	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"505539"	267.081524	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"890993"	88.3556573333333	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"11765"	267.081524	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"454975"	401.125924	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"832534"	133.037124	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"92401"	535.170324	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"533055"	803.259124	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"907574"	267.081524	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"53201"	552.196871	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"498231"	820.285671	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"876033"	284.108071	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"39560"	557.152266	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"480212"	825.241066	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"851084"	289.063466	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1625360"	289.063466	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"102981"	285.069863	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"545821"	419.114263	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"938972"	151.025463	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"278987"	571.147002	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"671410"	839.235802	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1281632"	303.058202	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"25281"	573.126206	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"467029"	841.215006	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"845926"	305.037406	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1567227"	305.037406	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"952925"	313.086994	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"374420"	581.175801	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"356122"	595.191451	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1502763"	327.102651	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"967024"	335.068951	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"118120"	303.058202	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"557678"	437.102602	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1024290"	169.013802	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1246055"	347.007685	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1309595"	349.063672	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1324914"	371.045629	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"913786"	381.074386	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1289763"	417.051064	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1368653"	233.076124	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1382837"	251.0861	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"285111"	537.184876	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"676111"	805.273676	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1352425"	269.096076	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"126406"	269.096076	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"568517"	403.140476	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1037680"	135.051676	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"212511"	179.733142666667	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"648792"	269.096076	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1170197"	90.3702093333333	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"428000"	554.211423	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"790816"	822.300223	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1682775"	286.122623	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"331783"	277.6093495	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"724571"	411.6537495	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1478387"	143.5649495	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"393181"	559.166818	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"754260"	827.255618	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1603405"	291.078018	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"314540"	280.087047	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"708859"	414.131447	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1461751"	146.042647	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1054961"	97.6975233333333	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1262106"	301.122286	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"388336"	575.140758	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"744958"	843.229558	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1542637"	307.051958	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"299452"	288.074017	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"692605"	422.118417	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1446424"	154.029617	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"237945"	578.211426	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1212835"	310.122626	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1198174"	155.564951	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"191050"	581.14876	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"632069"	849.23756	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1134848"	313.05996	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"179604"	291.078018	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"614912"	425.122418	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1118418"	157.033618	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1400119"	105.024837333333	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1436851"	315.101546	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"226546"	296.11104	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1517888"	329.15359	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"417573"	299.064988	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"773107"	433.109388	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1670892"	165.020588	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"255961"	600.193368	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1233044"	332.104568	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1717929"	332.128093	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1180729"	112.352151333333	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1653900"	337.083488	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"159665"	613.09664	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"601416"	881.18544	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1084708"	345.00784	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"142983"	307.051958	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"581566"	441.096358	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1068788"	173.007558	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1102332"	347.022392	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1341888"	347.110007	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1011510"	351.149176	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1531821"	352.142808	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"994987"	176.078226	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591678"	353.057428	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1415151"	383.088938	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1153096"	196.591501	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1708118"	400.115485	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1648141"	405.07088	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1579418"	421.04482	"C14461"	"3-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"809783"	161.9639	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M"	0
"974441"	142.94551	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H2O-H"	-19.01839
"72648"	106.968657333333	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-3H"	-3.021828
"513302"	160.956624	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-3H"	-3.021828
"893291"	52.9806906666667	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-3H"	-3.021828
"11875"	160.956624	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H"	-2.014552
"454356"	241.938574	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H"	-2.014552
"828145"	79.974674	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H"	-2.014552
"90325"	322.920524	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-H"	-1.007276
"531344"	484.884424	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-H"	-1.007276
"904404"	160.956624	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H"	-1.007276
"54404"	339.947071	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+NH4"	16.019271
"497251"	501.910971	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+NH4"	16.019271
"875779"	177.983171	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+NH4"	16.019271
"41857"	344.902466	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+Na"	20.974666
"477042"	506.866366	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+Na"	20.974666
"849493"	182.938566	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+Na"	20.974666
"1625470"	182.938566	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na-2H"	20.974666
"101998"	178.944963	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-H+Cl"	33.962126
"545931"	259.926913	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-H+Cl"	33.962126
"938718"	97.963013	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+Cl"	33.962126
"279098"	358.897202	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Cl"	34.969402
"672250"	520.861102	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Cl"	34.969402
"1282835"	196.933302	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl"	34.969402
"24298"	360.876406	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M-2H+K"	36.948606
"467868"	522.840306	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M-2H+K"	36.948606
"847129"	198.912506	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-2H+K"	36.948606
"1567337"	198.912506	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K-2H"	36.948606
"953035"	206.962094	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+HCOOH"	44.998194
"373073"	368.926001	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+HCOOH-H"	44.998201
"358413"	382.941651	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Hac-H"	59.013851
"1502871"	220.977751	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Hac-H"	59.013851
"968225"	228.944051	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+NaCOOH"	66.980151
"119322"	196.933302	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Cl"	69.938804
"552320"	277.915252	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Cl"	69.938804
"1023669"	115.951352	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Cl"	69.938804
"1245070"	240.882785	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Br"	78.918885
"1307518"	242.938772	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+HCOOH"	80.974872
"1322108"	264.920729	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+NaCOOH"	102.956829
"918270"	274.949486	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M-H+CF3COOH"	112.985586
"1290970"	310.926164	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Cl+CF3COOH"	148.962264
"1370949"	126.951224	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H-2H2O"	-35.012676
"1383344"	144.9612	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H-H2O"	-17.0027
"283516"	324.935076	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H"	1.007276
"676547"	486.898976	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H"	1.007276
"1353630"	162.971176	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H"	1.007276
"127610"	162.971176	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2H"	2.014552
"567528"	243.953126	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2H"	2.014552
"1038278"	81.989226	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2H"	2.014552
"209340"	108.983209333333	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+3H"	3.021828
"647808"	162.971176	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+3H"	3.021828
"1171400"	54.9952426666667	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3H"	3.021828
"426653"	341.961623	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+NH4"	18.033823
"792384"	503.925523	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+NH4"	18.033823
"1685071"	179.997723	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4"	18.033823
"332986"	171.4844495	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+NH4"	19.041099
"724679"	252.4663995	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+NH4"	19.041099
"1478496"	90.5024995	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+NH4"	19.041099
"392909"	346.917018	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Na"	22.989218
"754316"	508.880918	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Na"	22.989218
"1602990"	184.953118	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na"	22.989218
"314730"	173.962147	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+Na"	23.996494
"707353"	254.944097	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+Na"	23.996494
"1462066"	92.980197	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+Na"	23.996494
"1052824"	62.3225566666667	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2H+Na"	25.00377
"1264403"	194.997386	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+CH3OH+H"	33.033486
"382979"	362.890958	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+K"	38.963158
"743975"	524.854858	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+K"	38.963158
"1540237"	200.927058	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K"	38.963158
"298679"	181.949117	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+H+K"	39.970434
"692350"	262.931067	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+H+K"	39.970434
"1447263"	100.967167	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+K"	39.970434
"238055"	365.961626	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+ACN+H"	42.033826
"1213308"	203.997726	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+H"	42.033826
"1198650"	102.502501	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+2H"	43.041102
"192253"	368.89896	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Na-H"	44.97116
"631450"	530.86286	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Na-H"	44.97116
"1134958"	206.93506	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Na-H"	44.97116
"177162"	184.953118	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2Na"	45.978436
"615386"	265.935068	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2Na"	45.978436
"1117433"	103.971168	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2Na"	45.978436
"1400593"	69.6498706666667	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+2Na"	46.985712
"1434775"	208.976646	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+HCOOH"	47.012746
"226655"	189.98614	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+3H2O+2H"	56.04448
"1515810"	223.02869	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+H"	61.06479
"420599"	192.940088	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+Na+K"	61.952376
"774309"	273.922038	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+Na+K"	61.952376
"1671731"	111.958138	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+K"	61.952376
"255342"	387.943568	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+ACN+Na"	64.015768
"1233154"	225.979668	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+ACN+Na"	64.015768
"1718039"	226.003193	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4+HCOOH"	64.039293
"1180841"	76.9771846666667	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3Na"	68.967654
"1651093"	230.958588	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+HCOOH"	68.994688
"158682"	400.84684	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2K-H"	76.91904
"600433"	562.81074	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2K-H"	76.91904
"1085550"	238.88294	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K-H"	76.91904
"143215"	200.927058	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"2M+2K"	77.926316
"581470"	281.909008	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"3M+2K"	77.926316
"1068645"	119.945108	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K"	77.926316
"1101349"	240.897492	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2K+H"	78.933592
"1344185"	240.985107	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+DMSO+H"	79.021207
"1013807"	245.024276	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2ACN+H"	83.060376
"1531931"	246.017908	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+IsoProp+Na+H"	84.054008
"994004"	123.015776	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+2ACN+2H"	84.067652
"1590695"	246.932528	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K+HCOOH"	84.968628
"1415261"	276.964038	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+H+CF3COOH"	115.000138
"1154299"	143.529051	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+3ACN+2H"	125.094202
"1708228"	293.990585	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+NH4+CF3COOH"	132.026685
"1647158"	298.94598	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+Na+CF3COOH"	136.98208
"1579528"	314.91992	"C14462"	"34-Dichlorophenol"	"C6H4Cl2O"	"161.9639"	"M+K+CF3COOH"	152.95602
"806613"	146.0579	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M"	0
"975402"	127.03951	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"67292"	96.3646573333333	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"514506"	145.050624	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"886841"	47.6786906666667	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"10892"	145.050624	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"450459"	218.079574	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"828259"	72.021674	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"90438"	291.108524	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"531089"	437.166424	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"904514"	145.050624	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"54514"	308.135071	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"497359"	454.192971	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"874067"	162.077171	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"39781"	313.090466	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"480432"	459.148366	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"852038"	167.032566	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1625580"	167.032566	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"102108"	163.038963	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"546041"	236.067913	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"939556"	90.010013	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"278113"	327.085202	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"667257"	473.143102	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1282945"	181.027302	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"24408"	329.064406	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"467249"	475.122306	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"846875"	183.006506	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1567447"	183.006506	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"955335"	191.056094	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"371360"	337.114001	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"356336"	351.129651	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1505168"	205.071751	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"968335"	213.038051	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"119433"	181.027302	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"552794"	254.056252	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1024871"	107.998352	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1244088"	224.976785	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1308721"	227.032772	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1330600"	249.014729	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"922753"	259.043486	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1294360"	295.020164	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1367457"	111.045224	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1385279"	129.0552	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"284233"	293.123076	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"679940"	439.180976	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1355926"	147.065176	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"126992"	147.065176	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"568740"	220.094126	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1038266"	74.036226	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"210543"	98.3792093333333	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"650105"	147.065176	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1171511"	49.6932426666667	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"431503"	310.149623	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"793588"	456.207523	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1685181"	164.091723	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"333460"	155.5784495	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"725516"	228.6073995	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1480428"	82.5494995	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"393238"	315.105018	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"754637"	461.162918	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1603140"	169.047118	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"315204"	158.056147	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"707868"	231.085097	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1465216"	85.027197	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1053193"	57.0205566666667	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1262326"	179.091386	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"378716"	331.078958	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"746273"	477.136858	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1540671"	185.021058	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"304411"	166.043117	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"692459"	239.072067	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1447371"	93.014167	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"237434"	334.149626	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1214149"	188.091726	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1198397"	94.549501	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"191999"	337.08696	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"631560"	483.14486	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1137255"	191.02906	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"177272"	169.047118	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"614889"	242.076068	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1118029"	96.018168	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1401066"	64.3478706666667	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1434885"	193.070646	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"225673"	174.08014	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1514828"	207.12269	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"419982"	177.034088	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"775514"	250.063038	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1668927"	104.005138	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"257275"	356.131568	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1233264"	210.073668	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1715233"	210.097193	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1181315"	71.6751846666667	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1651203"	215.052588	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"158428"	369.03484	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"598112"	515.09274	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1085296"	222.97694	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"143325"	185.021058	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"581704"	258.050008	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1068764"	111.992108	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1100039"	224.991492	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1344295"	225.079107	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1013917"	229.118276	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1532041"	230.111908	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"994114"	115.062776	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1590805"	231.026528	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1415370"	261.058038	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1154409"	135.576051	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1711618"	278.084585	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1646175"	283.03998	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1579638"	299.01392	"C14463"	"(R)-3-Hydroxy-3-methyl-2-oxopentanoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"806723"	150.1045	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M"	0
"974582"	131.08611	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"68495"	99.0623906666667	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"513521"	149.097224	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"892419"	49.0275573333333	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"13918"	149.097224	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"451662"	224.149474	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"829462"	74.044974	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"91640"	299.201724	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"530106"	449.306224	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"903532"	149.097224	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"53531"	316.228271	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"497468"	466.332771	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"875271"	166.123771	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"42442"	321.183666	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"482729"	471.288166	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"852876"	171.079166	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1625690"	171.079166	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"104404"	167.085563	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"542872"	242.137813	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"940639"	92.033313	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"280290"	335.178402	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"669554"	485.282902	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1279775"	185.073902	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"26705"	337.157606	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"468453"	487.262106	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"846622"	187.053106	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1569746"	187.053106	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"955445"	195.102694	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"371470"	345.207201	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"356448"	359.222851	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1505279"	209.118351	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"973548"	217.084651	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"120636"	185.073902	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"553633"	260.126152	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1023891"	110.021652	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1245291"	229.023385	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1312112"	231.079372	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1326335"	253.061329	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"920674"	263.090086	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1293012"	299.066764	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1369350"	115.091824	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1383930"	133.1018	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"283855"	301.216276	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"678593"	451.320776	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1358223"	151.111776	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H"	1.007276
"130020"	151.111776	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"568121"	226.164026	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1038863"	76.059526	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"208468"	101.076942666667	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"649120"	151.111776	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1167972"	51.0421093333333	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"429059"	318.242823	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"794793"	468.347323	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1685657"	168.138323	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"334663"	159.6250495	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"724897"	234.6772995	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1480177"	84.5727995	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"393754"	323.198218	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"754545"	473.302718	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1604305"	173.093718	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"316165"	162.102747	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"713691"	237.154997	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1467512"	87.050497	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1055291"	58.3694233333333	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1264623"	183.137986	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"382106"	339.172158	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"746383"	489.276658	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1541510"	189.067658	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+K"	38.963158
"306709"	170.089717	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"692570"	245.141967	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1447847"	95.037467	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"238636"	342.242826	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1212802"	192.138326	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1199237"	96.572801	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"193568"	345.18016	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"632764"	495.28466	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1134449"	195.07566	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"175922"	173.093718	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"616945"	248.145968	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1118628"	98.041468	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1400085"	65.6967373333333	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1438275"	197.117246	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"226877"	178.12674	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1520404"	211.16929	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"420092"	181.080688	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"776716"	256.132938	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1670860"	106.028438	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"253009"	364.224768	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1231188"	214.120268	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1715343"	214.143793	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1180695"	73.0240513333333	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1653137"	219.099188	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"159997"	377.12804	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"600653"	527.23254	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1085530"	227.02354	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"141733"	189.067658	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"581388"	264.119908	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1068643"	114.015408	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1100839"	229.038092	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1344404"	229.125707	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1014027"	233.164876	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1529964"	234.158508	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"993131"	117.086076	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1587635"	235.073128	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1415480"	265.104638	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1153426"	137.599351	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1711728"	282.131185	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1645191"	287.08658	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1583028"	303.06052	"C14464"	"4-n-Butylphenol;p-Hydroxybutylbenzene"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"806834"	178.1358	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M"	0
"975623"	159.11741	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-H2O-H"	-19.01839
"66419"	117.749924	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M-3H"	-3.021828
"510351"	177.128524	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M-3H"	-3.021828
"888155"	58.371324	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-3H"	-3.021828
"15245"	177.128524	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M-2H"	-2.014552
"454687"	266.196424	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M-2H"	-2.014552
"830544"	88.060624	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-2H"	-2.014552
"93695"	355.264324	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M-H"	-1.007276
"532160"	533.400124	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M-H"	-1.007276
"905828"	177.128524	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-H"	-1.007276
"55828"	372.290871	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M-2H+NH4"	16.019271
"498672"	550.426671	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M-2H+NH4"	16.019271
"873922"	194.155071	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-2H+NH4"	16.019271
"43281"	377.246266	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M-2H+Na"	20.974666
"483569"	555.382066	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M-2H+Na"	20.974666
"857360"	199.110466	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-2H+Na"	20.974666
"1627985"	199.110466	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Na-2H"	20.974666
"106701"	195.116863	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M-H+Cl"	33.962126
"545168"	284.184763	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M-H+Cl"	33.962126
"941842"	106.048963	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-H+Cl"	33.962126
"279427"	391.241002	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+Cl"	34.969402
"674037"	569.376802	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+Cl"	34.969402
"1283165"	213.105202	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Cl"	34.969402
"26815"	393.220206	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M-2H+K"	36.948606
"468563"	571.356006	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M-2H+K"	36.948606
"846002"	215.084406	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-2H+K"	36.948606
"1568761"	215.084406	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+K-2H"	36.948606
"957254"	223.133994	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-H+HCOOH"	44.998194
"370487"	401.269801	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+HCOOH-H"	44.998201
"356557"	415.285451	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+Hac-H"	59.013851
"1506119"	237.149651	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Hac-H"	59.013851
"971474"	245.115951	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-H+NaCOOH"	66.980151
"120746"	213.105202	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+2Cl"	69.938804
"554837"	302.173102	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+2Cl"	69.938804
"1024001"	124.037302	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2Cl"	69.938804
"1246495"	257.054685	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Br"	78.918885
"1315502"	259.110672	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Cl+HCOOH"	80.974872
"1328632"	281.092629	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Cl+NaCOOH"	102.956829
"924064"	291.121386	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M-H+CF3COOH"	112.985586
"1295308"	327.098064	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Cl+CF3COOH"	148.962264
"1369460"	143.123124	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H-2H2O"	-35.012676
"1383673"	161.1331	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H-H2O"	-17.0027
"283720"	357.278876	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+H"	1.007276
"678700"	535.414676	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+H"	1.007276
"1355053"	179.143076	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H"	1.007276
"129401"	179.143076	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+2H"	2.014552
"567867"	268.210976	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+2H"	2.014552
"1038491"	90.075176	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2H"	2.014552
"207484"	119.764476	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+3H"	3.021828
"647409"	179.143076	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+3H"	3.021828
"1169542"	60.385876	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+3H"	3.021828
"429898"	374.305423	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+NH4"	18.033823
"795997"	552.441223	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+NH4"	18.033823
"1685403"	196.169623	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+NH4"	18.033823
"334412"	187.6563495	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+H+NH4"	19.041099
"725009"	276.7242495	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+H+NH4"	19.041099
"1479194"	98.5884495	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H+NH4"	19.041099
"393028"	379.260818	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+Na"	22.989218
"754421"	557.396618	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+Na"	22.989218
"1602874"	201.125018	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Na"	22.989218
"315061"	190.134047	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+H+Na"	23.996494
"707847"	279.201947	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+H+Na"	23.996494
"1462640"	101.066147	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H+Na"	23.996494
"1053579"	67.71319	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2H+Na"	25.00377
"1264735"	211.169286	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+CH3OH+H"	33.033486
"380031"	395.234758	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+K"	38.963158
"746494"	573.370558	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+K"	38.963158
"1542348"	217.098958	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+K"	38.963158
"301351"	198.121017	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+H+K"	39.970434
"693042"	287.188917	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+H+K"	39.970434
"1447591"	109.053117	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H+K"	39.970434
"237290"	398.305426	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+ACN+H"	42.033826
"1211821"	220.169626	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+ACN+H"	42.033826
"1198253"	110.588451	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+ACN+2H"	43.041102
"190399"	401.24276	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+2Na-H"	44.97116
"631055"	579.37856	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+2Na-H"	44.97116
"1135289"	223.10696	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2Na-H"	44.97116
"181866"	201.125018	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+2Na"	45.978436
"619242"	290.192918	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+2Na"	45.978436
"1120561"	112.057118	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2Na"	45.978436
"1400803"	75.040504	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H+2Na"	46.985712
"1440572"	225.148546	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H+HCOOH"	47.012746
"229174"	206.15804	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+3H2O+2H"	56.04448
"1519422"	239.20059	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+IsoProp+H"	61.06479
"422391"	209.111988	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+Na+K"	61.952376
"780106"	298.179888	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+Na+K"	61.952376
"1676439"	120.044088	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Na+K"	61.952376
"256399"	420.287368	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+ACN+Na"	64.015768
"1228018"	242.151568	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+ACN+Na"	64.015768
"1718004"	242.175093	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+NH4+HCOOH"	64.039293
"1182627"	82.367818	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+3Na"	68.967654
"1654342"	247.130488	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Na+HCOOH"	68.994688
"159015"	433.19064	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+2K-H"	76.91904
"598209"	611.32644	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+2K-H"	76.91904
"1088556"	255.05484	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2K-H"	76.91904
"144275"	217.098958	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"2M+2K"	77.926316
"581479"	306.166858	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"3M+2K"	77.926316
"1069066"	128.031058	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2K"	77.926316
"1101559"	257.069392	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2K+H"	78.933592
"1346699"	257.157007	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+DMSO+H"	79.021207
"1015230"	261.196176	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2ACN+H"	83.060376
"1535541"	262.189808	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+IsoProp+Na+H"	84.054008
"993241"	131.101726	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+2ACN+2H"	84.067652
"1589202"	263.104428	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+K+HCOOH"	84.968628
"1416684"	293.135938	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+H+CF3COOH"	115.000138
"1154629"	151.615001	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+3ACN+2H"	125.094202
"1706370"	310.162485	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+NH4+CF3COOH"	132.026685
"1647488"	315.11788	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+Na+CF3COOH"	136.98208
"1583138"	331.09182	"C14465"	"4-n-Hexylphenol"	"C12H18O"	"178.1358"	"M+K+CF3COOH"	152.95602
"806944"	164.1201	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M"	0
"977557"	145.10171	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-H2O-H"	-19.01839
"69809"	108.406124	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M-3H"	-3.021828
"513741"	163.112824	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M-3H"	-3.021828
"886078"	53.699424	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-3H"	-3.021828
"9033"	163.112824	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M-2H"	-2.014552
"454309"	245.172874	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M-2H"	-2.014552
"824209"	81.052774	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-2H"	-2.014552
"89668"	327.232924	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M-H"	-1.007276
"531418"	491.353024	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M-H"	-1.007276
"907031"	163.112824	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-H"	-1.007276
"55938"	344.259471	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M-2H+NH4"	16.019271
"501456"	508.379571	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M-2H+NH4"	16.019271
"876584"	180.139371	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-2H+NH4"	16.019271
"44850"	349.214866	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M-2H+Na"	20.974666
"484774"	513.334966	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M-2H+Na"	20.974666
"862938"	185.094766	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-2H+Na"	20.974666
"1629190"	185.094766	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Na-2H"	20.974666
"109000"	181.101163	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M-H+Cl"	33.962126
"547469"	263.161213	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M-H+Cl"	33.962126
"938793"	99.041113	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-H+Cl"	33.962126
"282704"	363.209602	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+Cl"	34.969402
"673784"	527.329702	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+Cl"	34.969402
"1283276"	199.089502	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Cl"	34.969402
"26926"	365.188806	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M-2H+K"	36.948606
"469402"	529.308906	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M-2H+K"	36.948606
"846843"	201.068706	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-2H+K"	36.948606
"1568871"	201.068706	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+K-2H"	36.948606
"955303"	209.118294	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-H+HCOOH"	44.998194
"375702"	373.238401	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+HCOOH-H"	44.998201
"359587"	387.254051	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+Hac-H"	59.013851
"1505503"	223.133951	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Hac-H"	59.013851
"971947"	231.100251	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-H+NaCOOH"	66.980151
"120855"	199.089502	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+2Cl"	69.938804
"557134"	281.149552	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+2Cl"	69.938804
"1029214"	117.029452	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2Cl"	69.938804
"1249885"	243.038985	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Br"	78.918885
"1318164"	245.094972	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Cl+HCOOH"	80.974872
"1332023"	267.076929	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Cl+NaCOOH"	102.956829
"924179"	277.105686	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M-H+CF3COOH"	112.985586
"1289220"	313.082364	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Cl+CF3COOH"	148.962264
"1370298"	129.107424	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H-2H2O"	-35.012676
"1387062"	147.1174	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H-H2O"	-17.0027
"285291"	329.247476	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+H"	1.007276
"686468"	493.367576	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+H"	1.007276
"1355163"	165.127376	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H"	1.007276
"132428"	165.127376	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+2H"	2.014552
"571988"	247.187426	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+2H"	2.014552
"1040424"	83.067326	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2H"	2.014552
"210875"	110.420676	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+3H"	3.021828
"649340"	165.127376	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+3H"	3.021828
"1170746"	55.713976	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+3H"	3.021828
"432925"	346.274023	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+NH4"	18.033823
"797200"	510.394123	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+NH4"	18.033823
"1685877"	182.153923	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+NH4"	18.033823
"336345"	173.6406495	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+H+NH4"	19.041099
"726579"	255.7006995	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+H+NH4"	19.041099
"1481492"	91.5805995	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H+NH4"	19.041099
"393979"	351.229418	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+Na"	22.989218
"756794"	515.349518	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+Na"	22.989218
"1603554"	187.109318	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Na"	22.989218
"315173"	176.118347	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+H+Na"	23.996494
"707835"	258.178397	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+H+Na"	23.996494
"1467732"	94.058297	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H+Na"	23.996494
"1060979"	63.04129	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2H+Na"	25.00377
"1265937"	197.153586	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+CH3OH+H"	33.033486
"385608"	367.203358	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+K"	38.963158
"749885"	531.323458	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+K"	38.963158
"1546469"	203.083258	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+K"	38.963158
"302553"	184.105317	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+H+K"	39.970434
"696068"	266.165367	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+H+K"	39.970434
"1453168"	102.045267	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H+K"	39.970434
"241771"	370.274026	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+ACN+H"	42.033826
"1213025"	206.153926	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+ACN+H"	42.033826
"1199456"	103.580601	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+ACN+2H"	43.041102
"191966"	373.21136	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+2Na-H"	44.97116
"632988"	537.33146	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+2Na-H"	44.97116
"1135763"	209.09126	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2Na-H"	44.97116
"181976"	187.109318	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+2Na"	45.978436
"619352"	269.169368	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+2Na"	45.978436
"1120671"	105.049268	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2Na"	45.978436
"1399938"	70.368604	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H+2Na"	46.985712
"1439588"	211.132846	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H+HCOOH"	47.012746
"232566"	192.14234	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+3H2O+2H"	56.04448
"1520626"	225.18489	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+IsoProp+H"	61.06479
"420314"	195.096288	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+Na+K"	61.952376
"779125"	277.156338	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+Na+K"	61.952376
"1675458"	113.036238	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Na+K"	61.952376
"257605"	392.255968	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+ACN+Na"	64.015768
"1230314"	228.135868	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+ACN+Na"	64.015768
"1719206"	228.159393	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+NH4+HCOOH"	64.039293
"1182374"	77.695918	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+3Na"	68.967654
"1651897"	233.114788	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Na+HCOOH"	68.994688
"160216"	405.15924	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+2K-H"	76.91904
"600140"	569.27934	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+2K-H"	76.91904
"1085133"	241.03914	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2K-H"	76.91904
"144383"	203.083258	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"2M+2K"	77.926316
"591597"	285.143308	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"3M+2K"	77.926316
"1069910"	121.023208	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2K"	77.926316
"1102274"	243.053692	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2K+H"	78.933592
"1345716"	243.141307	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+DMSO+H"	79.021207
"1007686"	247.180476	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2ACN+H"	83.060376
"1526537"	248.174108	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+IsoProp+Na+H"	84.054008
"996627"	124.093876	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+2ACN+2H"	84.067652
"1588583"	249.088728	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+K+HCOOH"	84.968628
"1416064"	279.120238	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+H+CF3COOH"	115.000138
"1154739"	144.607151	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+3ACN+2H"	125.094202
"1707573"	296.146785	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+NH4+CF3COOH"	132.026685
"1645411"	301.10218	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+Na+CF3COOH"	136.98208
"1576687"	317.07612	"C14466"	"4-n-Pentylphenol;p-Amylphenol"	"C11H16O"	"164.1201"	"M+K+CF3COOH"	152.95602
"810333"	208.1252	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M"	0
"977305"	189.10681	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H2O-H"	-19.01839
"67732"	137.742857333333	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-3H"	-3.021828
"510571"	207.117924	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-3H"	-3.021828
"888375"	68.3677906666667	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-3H"	-3.021828
"5863"	207.117924	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H"	-2.014552
"451987"	311.180524	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H"	-2.014552
"824319"	103.055324	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H"	-2.014552
"88685"	415.243124	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-H"	-1.007276
"530434"	623.368324	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-H"	-1.007276
"903861"	207.117924	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H"	-1.007276
"56048"	432.269671	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H+NH4"	16.019271
"498892"	640.394871	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H+NH4"	16.019271
"876695"	224.144471	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H+NH4"	16.019271
"42408"	437.225066	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H+Na"	20.974666
"484883"	645.350266	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H+Na"	20.974666
"859767"	229.099866	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H+Na"	20.974666
"1631487"	229.099866	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na-2H"	20.974666
"109110"	225.106263	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-H+Cl"	33.962126
"549359"	329.168863	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-H+Cl"	33.962126
"938903"	121.043663	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+Cl"	33.962126
"282364"	451.219802	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Cl"	34.969402
"675436"	659.345002	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+Cl"	34.969402
"1280105"	243.094602	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl"	34.969402
"22662"	453.199006	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H+K"	36.948606
"465501"	661.324206	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H+K"	36.948606
"841120"	245.073806	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H+K"	36.948606
"1565700"	245.073806	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K-2H"	36.948606
"951037"	253.123394	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+HCOOH"	44.998194
"370710"	461.248601	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+HCOOH-H"	44.998201
"352406"	475.264251	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Hac-H"	59.013851
"1499417"	267.139051	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Hac-H"	59.013851
"966593"	275.105351	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+NaCOOH"	66.980151
"120963"	243.094602	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2Cl"	69.938804
"561616"	347.157202	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2Cl"	69.938804
"1029323"	139.032002	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2Cl"	69.938804
"1248901"	287.044085	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Br"	78.918885
"1309161"	289.100072	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl+HCOOH"	80.974872
"1328855"	311.082029	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl+NaCOOH"	102.956829
"923922"	321.110786	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+CF3COOH"	112.985586
"1289086"	357.087464	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl+CF3COOH"	148.962264
"1368949"	173.112524	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H-2H2O"	-35.012676
"1384622"	191.1225	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H-H2O"	-17.0027
"283580"	417.257676	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H"	1.007276
"685485"	625.382876	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H"	1.007276
"1353814"	209.132476	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H"	1.007276
"133631"	209.132476	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2H"	2.014552
"572098"	313.195076	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2H"	2.014552
"1040167"	105.069876	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2H"	2.014552
"209162"	139.757409333333	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+3H"	3.021828
"650543"	209.132476	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+3H"	3.021828
"1174138"	70.3823426666667	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+3H"	3.021828
"428661"	434.284223	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+NH4"	18.033823
"792937"	642.409423	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+NH4"	18.033823
"1687082"	226.159023	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+NH4"	18.033823
"334268"	217.6457495	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H+NH4"	19.041099
"727055"	321.7083495	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H+NH4"	19.041099
"1481603"	113.5831495	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+NH4"	19.041099
"393967"	439.239618	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Na"	22.989218
"754315"	647.364818	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+Na"	22.989218
"1602849"	231.114418	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na"	22.989218
"314462"	220.123447	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H+Na"	23.996494
"707535"	324.186047	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H+Na"	23.996494
"1463468"	116.060847	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+Na"	23.996494
"1055621"	77.7096566666667	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2H+Na"	25.00377
"1262767"	241.158686	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+CH3OH+H"	33.033486
"384624"	455.213558	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+K"	38.963158
"747805"	663.338758	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+K"	38.963158
"1542203"	247.088358	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K"	38.963158
"298931"	228.110417	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H+K"	39.970434
"698367"	332.173017	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H+K"	39.970434
"1446720"	124.047817	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+K"	39.970434
"237631"	458.284226	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+ACN+H"	42.033826
"1214228"	250.159026	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+ACN+H"	42.033826
"1196287"	125.583151	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+ACN+2H"	43.041102
"192076"	461.22156	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2Na-H"	44.97116
"634190"	669.34676	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2Na-H"	44.97116
"1134778"	253.09636	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2Na-H"	44.97116
"185367"	231.114418	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2Na"	45.978436
"619462"	335.177018	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2Na"	45.978436
"1120781"	127.051818	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2Na"	45.978436
"1409770"	85.0369706666667	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+2Na"	46.985712
"1440792"	255.137946	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+HCOOH"	47.012746
"233404"	236.14744	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+3H2O+2H"	56.04448
"1520736"	269.18999	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+IsoProp+H"	61.06479
"421153"	239.101388	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Na+K"	61.952376
"781419"	343.163988	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+Na+K"	61.952376
"1676662"	135.038788	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na+K"	61.952376
"258809"	480.266168	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+ACN+Na"	64.015768
"1232612"	272.140968	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+ACN+Na"	64.015768
"1719316"	272.164493	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+NH4+HCOOH"	64.039293
"1182484"	92.3642846666667	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+3Na"	68.967654
"1653829"	277.119888	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na+HCOOH"	68.994688
"160325"	493.16944	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2K-H"	76.91904
"600979"	701.29464	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2K-H"	76.91904
"1085855"	285.04424	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2K-H"	76.91904
"146680"	247.088358	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2K"	77.926316
"591708"	351.150958	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2K"	77.926316
"1069411"	143.025758	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2K"	77.926316
"1102142"	287.058792	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2K+H"	78.933592
"1346919"	287.146407	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+DMSO+H"	79.021207
"1009616"	291.185576	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2ACN+H"	83.060376
"1528104"	292.179208	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+IsoProp+Na+H"	84.054008
"994551"	146.096426	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2ACN+2H"	84.067652
"1590516"	293.093828	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K+HCOOH"	84.968628
"1416174"	323.125338	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+CF3COOH"	115.000138
"1152662"	166.609701	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+3ACN+2H"	125.094202
"1707683"	340.151885	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+NH4+CF3COOH"	132.026685
"1645521"	345.10728	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na+CF3COOH"	136.98208
"1573517"	361.08122	"C14467"	"cis-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K+CF3COOH"	152.95602
"810443"	250.1205	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M"	0
"980695"	231.10211	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-H2O-H"	-19.01839
"70029"	165.739724	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M-3H"	-3.021828
"510681"	249.113224	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M-3H"	-3.021828
"883018"	82.366224	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-3H"	-3.021828
"5973"	249.113224	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H"	-2.014552
"451003"	374.173474	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H"	-2.014552
"823336"	124.052974	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H"	-2.014552
"84420"	499.233724	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M-H"	-1.007276
"529451"	749.354224	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M-H"	-1.007276
"903971"	249.113224	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-H"	-1.007276
"56158"	516.260271	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H+NH4"	16.019271
"500095"	766.380771	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H+NH4"	16.019271
"876805"	266.139771	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H+NH4"	16.019271
"44703"	521.215666	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H+Na"	20.974666
"484264"	771.336166	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H+Na"	20.974666
"859877"	271.095166	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H+Na"	20.974666
"1627223"	271.095166	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na-2H"	20.974666
"105939"	267.101563	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M-H+Cl"	33.962126
"547686"	392.161813	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M-H+Cl"	33.962126
"939013"	142.041313	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+Cl"	33.962126
"275384"	535.210402	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Cl"	34.969402
"672182"	785.330902	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+Cl"	34.969402
"1285682"	285.089902	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl"	34.969402
"26052"	537.189606	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H+K"	36.948606
"465611"	787.310106	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H+K"	36.948606
"844510"	287.069106	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H+K"	36.948606
"1567997"	287.069106	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+K-2H"	36.948606
"952605"	295.118694	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+HCOOH"	44.998194
"370821"	545.239201	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+HCOOH-H"	44.998201
"356888"	559.254851	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Hac-H"	59.013851
"1501347"	309.134351	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Hac-H"	59.013851
"968889"	317.100651	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+NaCOOH"	66.980151
"122166"	285.089902	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2Cl"	69.938804
"558445"	410.150152	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2Cl"	69.938804
"1032713"	160.029652	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2Cl"	69.938804
"1245731"	329.039385	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Br"	78.918885
"1309271"	331.095372	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl+HCOOH"	80.974872
"1324226"	353.077329	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl+NaCOOH"	102.956829
"924395"	363.106086	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+CF3COOH"	112.985586
"1293086"	399.082764	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl+CF3COOH"	148.962264
"1368696"	215.107824	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H-2H2O"	-35.012676
"1386920"	233.1178	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H-H2O"	-17.0027
"283690"	501.248276	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H"	1.007276
"676598"	751.368776	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H"	1.007276
"1356473"	251.127776	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H"	1.007276
"130457"	251.127776	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2H"	2.014552
"574396"	376.188026	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2H"	2.014552
"1039548"	126.067526	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2H"	2.014552
"206356"	167.754276	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+3H"	3.021828
"648831"	251.127776	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+3H"	3.021828
"1175341"	84.380776	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+3H"	3.021828
"436426"	518.274823	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+NH4"	18.033823
"795234"	768.395323	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+NH4"	18.033823
"1683184"	268.154323	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+NH4"	18.033823
"333286"	259.6410495	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H+NH4"	19.041099
"728989"	384.7012995	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H+NH4"	19.041099
"1480621"	134.5807995	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+NH4"	19.041099
"393471"	523.230218	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Na"	22.989218
"754542"	773.350718	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+Na"	22.989218
"1602809"	273.109718	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na"	22.989218
"314277"	262.118747	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H+Na"	23.996494
"707322"	387.178997	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H+Na"	23.996494
"1466860"	137.058497	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+Na"	23.996494
"1057919"	91.70809	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2H+Na"	25.00377
"1265064"	283.153986	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+CH3OH+H"	33.033486
"382548"	539.204158	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+K"	38.963158
"750103"	789.324658	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+K"	38.963158
"1541586"	289.083658	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+K"	38.963158
"302043"	270.105717	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H+K"	39.970434
"696291"	395.165967	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H+K"	39.970434
"1447558"	145.045467	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+K"	39.970434
"237254"	542.274826	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+ACN+H"	42.033826
"1212879"	292.154326	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+ACN+H"	42.033826
"1197489"	146.580801	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+ACN+2H"	43.041102
"191093"	545.21216	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2Na-H"	44.97116
"632842"	795.33266	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2Na-H"	44.97116
"1134524"	295.09166	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2Na-H"	44.97116
"183656"	273.109718	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2Na"	45.978436
"619571"	398.169968	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2Na"	45.978436
"1121984"	148.049468	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2Na"	45.978436
"1408788"	99.035404	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+2Na"	46.985712
"1440903"	297.133246	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+HCOOH"	47.012746
"229870"	278.14274	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+3H2O+2H"	56.04448
"1518296"	311.18529	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+IsoProp+H"	61.06479
"419442"	281.096688	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Na+K"	61.952376
"781897"	406.156938	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+Na+K"	61.952376
"1675673"	156.036438	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na+K"	61.952376
"258919"	564.256768	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+ACN+Na"	64.015768
"1236001"	314.136268	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+ACN+Na"	64.015768
"1719427"	314.159793	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+NH4+HCOOH"	64.039293
"1183687"	106.362718	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+3Na"	68.967654
"1652846"	319.115188	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na+HCOOH"	68.994688
"160435"	577.16004	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2K-H"	76.91904
"600360"	827.28054	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2K-H"	76.91904
"1087059"	327.03954	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2K-H"	76.91904
"152258"	289.083658	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2K"	77.926316
"592913"	414.143908	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2K"	77.926316
"1070863"	164.023408	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2K"	77.926316
"1103709"	329.054092	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2K+H"	78.933592
"1343749"	329.141707	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+DMSO+H"	79.021207
"1008270"	333.180876	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2ACN+H"	83.060376
"1528215"	334.174508	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+IsoProp+Na+H"	84.054008
"995754"	167.094076	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+2ACN+2H"	84.067652
"1590622"	335.089128	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+K+HCOOH"	84.968628
"1415919"	365.120638	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+CF3COOH"	115.000138
"1151679"	187.607351	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+3ACN+2H"	125.094202
"1707793"	382.147185	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+NH4+CF3COOH"	132.026685
"1645631"	387.10258	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na+CF3COOH"	136.98208
"1573627"	403.07652	"C14468"	"Diisopropyl phthalate"	"C14H18O4"	"250.1205"	"M+K+CF3COOH"	152.95602
"810553"	250.1205	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M"	0
"984085"	231.10211	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-H2O-H"	-19.01839
"73419"	165.739724	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M-3H"	-3.021828
"509697"	249.113224	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M-3H"	-3.021828
"890781"	82.366224	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-3H"	-3.021828
"1343"	249.113224	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H"	-2.014552
"450019"	374.173474	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H"	-2.014552
"823446"	124.052974	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H"	-2.014552
"84530"	499.233724	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M-H"	-1.007276
"529561"	749.354224	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M-H"	-1.007276
"904081"	249.113224	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-H"	-1.007276
"59549"	516.260271	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H+NH4"	16.019271
"498016"	766.380771	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H+NH4"	16.019271
"875822"	266.139771	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H+NH4"	16.019271
"43720"	521.215666	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H+Na"	20.974666
"483279"	771.336166	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H+Na"	20.974666
"853425"	271.095166	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H+Na"	20.974666
"1629886"	271.095166	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na-2H"	20.974666
"108237"	267.101563	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M-H+Cl"	33.962126
"547069"	392.161813	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M-H+Cl"	33.962126
"936936"	142.041313	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+Cl"	33.962126
"277681"	535.210402	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Cl"	34.969402
"667917"	785.330902	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+Cl"	34.969402
"1283606"	285.089902	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl"	34.969402
"25069"	537.189606	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M-2H+K"	36.948606
"460254"	787.310106	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M-2H+K"	36.948606
"841341"	287.069106	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-2H+K"	36.948606
"1563734"	287.069106	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+K-2H"	36.948606
"953443"	295.118694	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+HCOOH"	44.998194
"372021"	545.239201	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+HCOOH-H"	44.998201
"351531"	559.254851	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Hac-H"	59.013851
"1499270"	309.134351	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Hac-H"	59.013851
"966811"	317.100651	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+NaCOOH"	66.980151
"117904"	285.089902	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2Cl"	69.938804
"559648"	410.150152	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2Cl"	69.938804
"1031730"	160.029652	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2Cl"	69.938804
"1244747"	329.039385	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Br"	78.918885
"1311567"	331.095372	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl+HCOOH"	80.974872
"1321056"	353.077329	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl+NaCOOH"	102.956829
"920133"	363.106086	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M-H+CF3COOH"	112.985586
"1298662"	399.082764	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Cl+CF3COOH"	148.962264
"1367187"	215.107824	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H-2H2O"	-35.012676
"1383381"	233.1178	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H-H2O"	-17.0027
"283310"	501.248276	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H"	1.007276
"676465"	751.368776	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H"	1.007276
"1355490"	251.127776	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H"	1.007276
"131663"	251.127776	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2H"	2.014552
"575600"	376.188026	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2H"	2.014552
"1040026"	126.067526	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2H"	2.014552
"207926"	167.754276	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+3H"	3.021828
"652951"	251.127776	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+3H"	3.021828
"1174358"	84.380776	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+3H"	3.021828
"437630"	518.274823	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+NH4"	18.033823
"800570"	768.395323	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+NH4"	18.033823
"1686209"	268.154323	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+NH4"	18.033823
"336678"	259.6410495	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H+NH4"	19.041099
"725089"	384.7012995	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H+NH4"	19.041099
"1481824"	134.5807995	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+NH4"	19.041099
"393458"	523.230218	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Na"	22.989218
"755302"	773.350718	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+Na"	22.989218
"1603033"	273.109718	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na"	22.989218
"315014"	262.118747	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H+Na"	23.996494
"707555"	387.178997	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H+Na"	23.996494
"1470251"	137.058497	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+Na"	23.996494
"1062403"	91.70809	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2H+Na"	25.00377
"1266269"	283.153986	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+CH3OH+H"	33.033486
"383751"	539.204158	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+K"	38.963158
"750214"	789.324658	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+K"	38.963158
"1542426"	289.083658	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+K"	38.963158
"302153"	270.105717	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+H+K"	39.970434
"697494"	395.165967	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+H+K"	39.970434
"1450220"	145.045467	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+K"	39.970434
"238093"	542.274826	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+ACN+H"	42.033826
"1214447"	292.154326	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+ACN+H"	42.033826
"1196871"	146.580801	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+ACN+2H"	43.041102
"192661"	545.21216	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2Na-H"	44.97116
"631129"	795.33266	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2Na-H"	44.97116
"1135729"	295.09166	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2Na-H"	44.97116
"183037"	273.109718	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2Na"	45.978436
"618588"	398.169968	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2Na"	45.978436
"1121000"	148.049468	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2Na"	45.978436
"1408898"	99.035404	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+2Na"	46.985712
"1440650"	297.133246	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+HCOOH"	47.012746
"230346"	278.14274	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+3H2O+2H"	56.04448
"1520230"	311.18529	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+IsoProp+H"	61.06479
"418096"	281.096688	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+Na+K"	61.952376
"780183"	406.156938	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+Na+K"	61.952376
"1674330"	156.036438	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na+K"	61.952376
"256843"	564.256768	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+ACN+Na"	64.015768
"1233925"	314.136268	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+ACN+Na"	64.015768
"1718442"	314.159793	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+NH4+HCOOH"	64.039293
"1182700"	106.362718	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+3Na"	68.967654
"1652592"	319.115188	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na+HCOOH"	68.994688
"160545"	577.16004	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2K-H"	76.91904
"600470"	827.28054	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2K-H"	76.91904
"1086805"	327.03954	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2K-H"	76.91904
"146900"	289.083658	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"2M+2K"	77.926316
"584274"	414.143908	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"3M+2K"	77.926316
"1076441"	164.023408	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2K"	77.926316
"1102362"	329.054092	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2K+H"	78.933592
"1340577"	329.141707	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+DMSO+H"	79.021207
"1010203"	333.180876	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2ACN+H"	83.060376
"1531608"	334.174508	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+IsoProp+Na+H"	84.054008
"992587"	167.094076	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+2ACN+2H"	84.067652
"1590372"	335.089128	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+K+HCOOH"	84.968628
"1416757"	365.120638	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+H+CF3COOH"	115.000138
"1151789"	187.607351	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+3ACN+2H"	125.094202
"1706810"	382.147185	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+NH4+CF3COOH"	132.026685
"1645741"	387.10258	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+Na+CF3COOH"	136.98208
"1573737"	403.07652	"C14469"	"Di-n-propylphthalate;Dipropyl phthalate"	"C14H18O4"	"250.1205"	"M+K+CF3COOH"	152.95602
"810663"	268.1252	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M"	0
"984195"	249.10681	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-H2O-H"	-19.01839
"71343"	177.742857333333	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M-3H"	-3.021828
"516370"	267.117924	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M-3H"	-3.021828
"890892"	88.3677906666667	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-3H"	-3.021828
"517"	267.117924	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M-2H"	-2.014552
"449035"	401.180524	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M-2H"	-2.014552
"824649"	133.055324	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-2H"	-2.014552
"86829"	535.243124	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M-H"	-1.007276
"525296"	803.368324	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M-H"	-1.007276
"904191"	267.117924	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-H"	-1.007276
"59659"	552.269671	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M-2H+NH4"	16.019271
"498126"	820.394871	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M-2H+NH4"	16.019271
"876904"	284.144471	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-2H+NH4"	16.019271
"45653"	557.225066	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M-2H+Na"	20.974666
"485091"	825.350266	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M-2H+Na"	20.974666
"859004"	289.099866	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-2H+Na"	20.974666
"1631817"	289.099866	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Na-2H"	20.974666
"107253"	285.106263	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M-H+Cl"	33.962126
"547906"	419.168863	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M-H+Cl"	33.962126
"941056"	151.043663	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-H+Cl"	33.962126
"280831"	571.219802	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+Cl"	34.969402
"674103"	839.345002	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+Cl"	34.969402
"1285903"	303.094602	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Cl"	34.969402
"28460"	573.199006	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M-2H+K"	36.948606
"468020"	841.324206	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M-2H+K"	36.948606
"846192"	305.073806	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-2H+K"	36.948606
"1567126"	305.073806	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+K-2H"	36.948606
"953915"	313.123394	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-H+HCOOH"	44.998194
"375048"	581.248601	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+HCOOH-H"	44.998201
"354921"	595.264251	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+Hac-H"	59.013851
"1501566"	327.139051	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Hac-H"	59.013851
"968016"	335.105351	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-H+NaCOOH"	66.980151
"122394"	303.094602	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+2Cl"	69.938804
"560858"	437.157202	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+2Cl"	69.938804
"1030750"	169.032002	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2Cl"	69.938804
"1247046"	347.044085	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Br"	78.918885
"1312773"	349.100072	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Cl+HCOOH"	80.974872
"1332101"	371.082029	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Cl+NaCOOH"	102.956829
"920243"	381.110786	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M-H+CF3COOH"	112.985586
"1294767"	417.087464	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Cl+CF3COOH"	148.962264
"1374019"	233.112524	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H-2H2O"	-35.012676
"1391515"	251.1225	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H-H2O"	-17.0027
"290107"	537.257676	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+H"	1.007276
"678520"	805.382876	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+H"	1.007276
"1353411"	269.132476	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H"	1.007276
"129585"	269.132476	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+2H"	2.014552
"570240"	403.195076	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+2H"	2.014552
"1046694"	135.069876	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2H"	2.014552
"212408"	179.757409333333	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+3H"	3.021828
"653063"	269.132476	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+3H"	3.021828
"1174468"	90.3823426666667	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+3H"	3.021828
"432273"	554.284223	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+NH4"	18.033823
"800801"	822.409423	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+NH4"	18.033823
"1686319"	286.159023	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+NH4"	18.033823
"341162"	277.6457495	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+H+NH4"	19.041099
"725928"	411.7083495	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+H+NH4"	19.041099
"1481935"	143.5831495	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H+NH4"	19.041099
"398432"	559.239618	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+Na"	22.989218
"758333"	827.364818	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+Na"	22.989218
"1604242"	291.114418	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Na"	22.989218
"317560"	280.123447	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+H+Na"	23.996494
"709981"	414.186047	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+H+Na"	23.996494
"1467081"	146.060847	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H+Na"	23.996494
"1059234"	97.7096566666667	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2H+Na"	25.00377
"1268567"	301.158686	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+CH3OH+H"	33.033486
"386050"	575.213558	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+K"	38.963158
"752511"	843.338758	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+K"	38.963158
"1547274"	307.088358	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+K"	38.963158
"308459"	288.110417	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+H+K"	39.970434
"700883"	422.173017	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+H+K"	39.970434
"1450329"	154.047817	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H+K"	39.970434
"242211"	578.284226	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+ACN+H"	42.033826
"1217107"	310.159026	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+ACN+H"	42.033826
"1198438"	155.583151	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+ACN+2H"	43.041102
"193133"	581.22156	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+2Na-H"	44.97116
"631237"	849.34676	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+2Na-H"	44.97116
"1135839"	313.09636	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2Na-H"	44.97116
"180230"	291.114418	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+2Na"	45.978436
"615417"	425.177018	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+2Na"	45.978436
"1117826"	157.051818	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2Na"	45.978436
"1405727"	105.036970666667	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H+2Na"	46.985712
"1439302"	315.137946	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H+HCOOH"	47.012746
"229362"	296.14744	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+3H2O+2H"	56.04448
"1517424"	329.18999	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+IsoProp+H"	61.06479
"418935"	299.101388	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+Na+K"	61.952376
"779930"	433.163988	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+Na+K"	61.952376
"1674803"	165.038788	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Na+K"	61.952376
"256953"	600.266168	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+ACN+Na"	64.015768
"1234035"	332.140968	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+ACN+Na"	64.015768
"1714905"	332.164493	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+NH4+HCOOH"	64.039293
"1180256"	112.364284666667	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+3Na"	68.967654
"1650877"	337.119888	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Na+HCOOH"	68.994688
"158103"	613.16944	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+2K-H"	76.91904
"601309"	881.29464	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+2K-H"	76.91904
"1084967"	345.04424	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2K-H"	76.91904
"144823"	307.088358	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"2M+2K"	77.926316
"586571"	441.150958	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"3M+2K"	77.926316
"1076551"	173.025758	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2K"	77.926316
"1103202"	347.058792	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2K+H"	78.933592
"1338497"	347.146407	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+DMSO+H"	79.021207
"1011401"	351.185576	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2ACN+H"	83.060376
"1527705"	352.179208	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+IsoProp+Na+H"	84.054008
"994879"	176.096426	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+2ACN+2H"	84.067652
"1589385"	353.093828	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+K+HCOOH"	84.968628
"1416137"	383.125338	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+H+CF3COOH"	115.000138
"1147887"	196.609701	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+3ACN+2H"	125.094202
"1706920"	400.151885	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+NH4+CF3COOH"	132.026685
"1645851"	405.10728	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+Na+CF3COOH"	136.98208
"1573847"	421.08122	"C14470"	"3-Methylcholanthrene"	"C21H16"	"268.1252"	"M+K+CF3COOH"	152.95602
"804212"	339.8783	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"981024"	320.85991	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"68537"	225.578257333333	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"514292"	338.871024	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"891002"	112.285490666667	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"1927"	338.871024	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"451331"	508.810174	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"825852"	168.931874	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"89125"	678.749324	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"526499"	1018.627624	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"906488"	338.871024	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"59769"	695.775871	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"497143"	1035.654171	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"879652"	355.897571	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"46126"	700.731266	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"485565"	1040.609566	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"859114"	360.852966	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1631927"	360.852966	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"107363"	356.859363	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"546923"	526.798513	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"941288"	186.920213	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"281183"	714.726002	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"672511"	1054.604302	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1286012"	374.847702	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"29664"	716.705206	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"470317"	1056.583506	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"846667"	376.826906	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1567236"	376.826906	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"954025"	384.876494	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"376616"	724.754801	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"355031"	738.770451	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1501676"	398.892151	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"973229"	406.858451	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"122502"	374.847702	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"559874"	544.786852	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1029767"	204.908552	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1249344"	418.797185	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1317256"	420.853172	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1328203"	442.835129	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"920353"	452.863886	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1294876"	488.840564	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1375222"	304.865624	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1389437"	322.8756	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"291310"	680.763876	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"675993"	1020.642176	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1352791"	340.885576	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"128236"	340.885576	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"568525"	510.824726	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1040970"	170.946426	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"209238"	227.592809333333	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"646612"	340.885576	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1168017"	114.300042666667	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"428008"	697.790423	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"798845"	1037.668723	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1685333"	357.912123	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"334710"	349.3988495	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"723363"	519.3379995	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1479857"	179.4596995	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"398542"	702.745818	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"756256"	1042.624118	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1603744"	362.867518	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"315726"	351.876547	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"708754"	521.815697	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1467191"	181.937397	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1058250"	121.627356666667	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1263210"	372.911786	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"380693"	718.719758	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"744968"	1058.598058	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1547384"	378.841458	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"306383"	359.863517	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"698805"	529.802667	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1449345"	189.924367	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"241228"	721.790426	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1212843"	381.912126	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1196725"	191.459701	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"190691"	724.72776	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"632442"	1064.60606	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1135220"	384.84946	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"179246"	362.867518	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"617714"	532.806668	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1116597"	192.928368	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1405837"	128.954670666667	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1434673"	386.891046	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"228742"	367.90054	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1520085"	400.94309	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"418679"	370.854488	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"778580"	540.793638	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1675642"	200.915338	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"255969"	743.772368	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1230863"	403.894068	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1713675"	403.917593	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1179148"	136.281984666667	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1650174"	408.872988	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"157440"	756.67564	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"598137"	1096.55394	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1084957"	416.79734	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"142499"	378.841458	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"583765"	548.780608	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1073380"	208.902308	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1102218"	418.811892	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1337391"	418.899507	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1009689"	422.938676	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1529637"	423.932308	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"991708"	211.972976	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1590588"	424.846928	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1416369"	454.878438	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1147633"	232.486251	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1707030"	471.904985	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1645961"	476.86038	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1573957"	492.83432	"C14471"	"4-Hydroxy-22455-pentachlorobiphenyl;22455-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"803228"	342.1103	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M"	0
"977854"	323.09191	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-H2O-H"	-19.01839
"68283"	227.066257333333	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M-3H"	-3.021828
"513309"	341.103024	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M-3H"	-3.021828
"890018"	113.029490666667	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-3H"	-3.021828
"87"	341.103024	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M-2H"	-2.014552
"451441"	512.158174	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M-2H"	-2.014552
"825962"	170.047874	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-2H"	-2.014552
"89235"	683.213324	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M-H"	-1.007276
"526609"	1025.323624	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M-H"	-1.007276
"907691"	341.103024	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-H"	-1.007276
"53318"	700.239871	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M-2H+NH4"	16.019271
"497253"	1042.350171	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M-2H+NH4"	16.019271
"879881"	358.129571	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-2H+NH4"	16.019271
"45994"	705.195266	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M-2H+Na"	20.974666
"484703"	1047.305566	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M-2H+Na"	20.974666
"860317"	363.084966	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-2H+Na"	20.974666
"1632037"	363.084966	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Na-2H"	20.974666
"109904"	359.091363	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M-H+Cl"	33.962126
"549219"	530.146513	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M-H+Cl"	33.962126
"940183"	188.036213	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-H+Cl"	33.962126
"279106"	719.190002	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+Cl"	34.969402
"673714"	1061.300302	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+Cl"	34.969402
"1285395"	377.079702	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Cl"	34.969402
"28681"	721.169206	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M-2H+K"	36.948606
"468241"	1063.279506	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M-2H+K"	36.948606
"846775"	379.058906	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-2H+K"	36.948606
"1566253"	379.058906	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+K-2H"	36.948606
"954135"	387.108494	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-H+HCOOH"	44.998194
"376485"	729.218801	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+HCOOH-H"	44.998201
"354047"	743.234451	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+Hac-H"	59.013851
"1500693"	401.124151	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Hac-H"	59.013851
"973339"	409.090451	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-H+NaCOOH"	66.980151
"122612"	377.079702	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+2Cl"	69.938804
"559984"	548.134852	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+2Cl"	69.938804
"1033157"	206.024552	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2Cl"	69.938804
"1249454"	421.029185	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Br"	78.918885
"1315180"	423.085172	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Cl+HCOOH"	80.974872
"1329406"	445.067129	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Cl+NaCOOH"	102.956829
"920463"	455.095886	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M-H+CF3COOH"	112.985586
"1297173"	491.072564	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Cl+CF3COOH"	148.962264
"1375332"	307.097624	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H-2H2O"	-35.012676
"1390640"	325.1076	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H-H2O"	-17.0027
"288140"	685.227876	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+H"	1.007276
"676551"	1027.338176	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+H"	1.007276
"1352904"	343.117576	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H"	1.007276
"127981"	343.117576	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+2H"	2.014552
"568272"	514.172726	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+2H"	2.014552
"1042540"	172.062426	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2H"	2.014552
"213722"	229.080809333333	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+3H"	3.021828
"647816"	343.117576	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+3H"	3.021828
"1172502"	115.044042666667	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+3H"	3.021828
"434680"	702.254423	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+NH4"	18.033823
"795675"	1044.364723	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+NH4"	18.033823
"1684716"	360.144123	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+NH4"	18.033823
"334820"	351.6308495	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+H+NH4"	19.041099
"726149"	522.6859995	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+H+NH4"	19.041099
"1481062"	180.5756995	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H+NH4"	19.041099
"397559"	707.209818	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+Na"	22.989218
"754461"	1049.320118	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+Na"	22.989218
"1603491"	365.099518	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Na"	22.989218
"315715"	354.108547	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+H+Na"	23.996494
"708378"	525.163697	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+H+Na"	23.996494
"1467301"	183.053397	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H+Na"	23.996494
"1059454"	122.371356666667	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2H+Na"	25.00377
"1267693"	375.143786	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+CH3OH+H"	33.033486
"381896"	723.183758	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+K"	38.963158
"743985"	1065.294058	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+K"	38.963158
"1546037"	381.073458	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+K"	38.963158
"305401"	362.095517	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+H+K"	39.970434
"697823"	533.150667	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+H+K"	39.970434
"1450549"	191.040367	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H+K"	39.970434
"239151"	726.254426	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+ACN+H"	42.033826
"1212953"	384.144126	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+ACN+H"	42.033826
"1196104"	192.575701	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+ACN+2H"	43.041102
"191894"	729.19176	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+2Na-H"	44.97116
"633647"	1071.30206	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+2Na-H"	44.97116
"1132898"	387.08146	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2Na-H"	44.97116
"177166"	365.099518	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+2Na"	45.978436
"622197"	536.154668	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+2Na"	45.978436
"1120236"	194.044368	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2Na"	45.978436
"1404853"	129.698670666667	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H+2Na"	46.985712
"1435876"	389.123046	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H+HCOOH"	47.012746
"230311"	370.13254	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+3H2O+2H"	56.04448
"1518008"	403.17509	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+IsoProp+H"	61.06479
"416602"	373.086488	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+Na+K"	61.952376
"780515"	544.141638	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+Na+K"	61.952376
"1673929"	202.031338	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Na+K"	61.952376
"256079"	748.236368	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+ACN+Na"	64.015768
"1232067"	406.126068	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+ACN+Na"	64.015768
"1713297"	406.149593	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+NH4+HCOOH"	64.039293
"1178894"	137.025984666667	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+3Na"	68.967654
"1650486"	411.104988	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Na+HCOOH"	68.994688
"157510"	761.13964	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+2K-H"	76.91904
"599707"	1103.24994	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+2K-H"	76.91904
"1088229"	419.02934	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2K-H"	76.91904
"142732"	381.073458	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"2M+2K"	77.926316
"584605"	552.128608	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"3M+2K"	77.926316
"1074584"	210.018308	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2K"	77.926316
"1103056"	421.043892	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2K+H"	78.933592
"1339448"	421.131507	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+DMSO+H"	79.021207
"1009437"	425.170676	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2ACN+H"	83.060376
"1530844"	426.164308	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+IsoProp+Na+H"	84.054008
"997288"	213.088976	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+2ACN+2H"	84.067652
"1589971"	427.078928	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+K+HCOOH"	84.968628
"1418545"	457.110438	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+H+CF3COOH"	115.000138
"1152119"	233.602251	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+3ACN+2H"	125.094202
"1707140"	474.136985	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+NH4+CF3COOH"	132.026685
"1644978"	479.09238	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+Na+CF3COOH"	136.98208
"1580628"	495.06632	"C14472"	"4567-Tetramethoxyflavone;Tetra-O-methylscutellarein"	"C19H18O6"	"342.1103"	"M+K+CF3COOH"	152.95602
"807712"	146.048	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M"	0
"982337"	127.02961	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-H2O-H"	-19.01839
"73859"	96.3580573333333	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M-3H"	-3.021828
"513420"	145.040724	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M-3H"	-3.021828
"886848"	47.6753906666667	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-3H"	-3.021828
"197"	145.040724	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M-2H"	-2.014552
"442074"	218.064724	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M-2H"	-2.014552
"817808"	72.016724	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-2H"	-2.014552
"82054"	291.088724	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M-H"	-1.007276
"519058"	437.136724	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M-H"	-1.007276
"896373"	145.040724	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-H"	-1.007276
"51605"	308.115271	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M-2H+NH4"	16.019271
"494082"	454.163271	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M-2H+NH4"	16.019271
"866412"	162.067271	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-2H+NH4"	16.019271
"36505"	313.070666	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M-2H+Na"	20.974666
"475335"	459.118666	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M-2H+Na"	20.974666
"856053"	167.022666	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-2H+Na"	20.974666
"1620846"	167.022666	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Na-2H"	20.974666
"96646"	163.029063	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M-H+Cl"	33.962126
"541675"	236.053063	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M-H+Cl"	33.962126
"935189"	90.005063	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-H+Cl"	33.962126
"281161"	327.065402	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+Cl"	34.969402
"673218"	473.113402	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+Cl"	34.969402
"1284044"	181.017402	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Cl"	34.969402
"28791"	329.044606	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M-2H+K"	36.948606
"468351"	475.092606	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M-2H+K"	36.948606
"842874"	182.996606	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-2H+K"	36.948606
"1566363"	182.996606	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+K-2H"	36.948606
"953152"	191.046194	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-H+HCOOH"	44.998194
"375867"	337.094201	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+HCOOH-H"	44.998201
"354157"	351.109851	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+Hac-H"	59.013851
"1504083"	205.061851	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Hac-H"	59.013851
"973453"	213.028151	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-H+NaCOOH"	66.980151
"122722"	181.017402	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+2Cl"	69.938804
"559000"	254.041402	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+2Cl"	69.938804
"1033267"	107.993402	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2Cl"	69.938804
"1249564"	224.966885	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Br"	78.918885
"1316383"	227.022872	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Cl+HCOOH"	80.974872
"1330610"	249.004829	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Cl+NaCOOH"	102.956829
"922763"	259.033586	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M-H+CF3COOH"	112.985586
"1294003"	295.010264	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Cl+CF3COOH"	148.962264
"1375443"	111.035324	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H-2H2O"	-35.012676
"1392939"	129.0453	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H-H2O"	-17.0027
"291530"	293.103276	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+H"	1.007276
"677758"	439.151276	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+H"	1.007276
"1354837"	147.055276	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H"	1.007276
"131008"	147.055276	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+2H"	2.014552
"571664"	220.079276	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+2H"	2.014552
"1041557"	74.031276	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2H"	2.014552
"212739"	98.3726093333333	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+3H"	3.021828
"654487"	147.055276	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+3H"	3.021828
"1169333"	49.6899426666667	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+3H"	3.021828
"433697"	310.129823	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+NH4"	18.033823
"794692"	456.177823	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+NH4"	18.033823
"1684826"	164.081823	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+NH4"	18.033823
"332376"	155.5685495	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+H+NH4"	19.041099
"725530"	228.5925495	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+H+NH4"	19.041099
"1479349"	82.5445495	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H+NH4"	19.041099
"396567"	315.085218	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+Na"	22.989218
"755740"	461.133218	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+Na"	22.989218
"1603354"	169.037218	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Na"	22.989218
"314519"	158.046247	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+H+Na"	23.996494
"707301"	231.070247	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+H+Na"	23.996494
"1462429"	85.022247	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H+Na"	23.996494
"1056284"	57.0172566666667	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2H+Na"	25.00377
"1261241"	179.081486	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+CH3OH+H"	33.033486
"383097"	331.059158	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+K"	38.963158
"743001"	477.107158	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+K"	38.963158
"1543230"	185.011158	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+K"	38.963158
"305510"	166.033217	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+H+K"	39.970434
"694650"	239.057217	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+H+K"	39.970434
"1450660"	93.009217	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H+K"	39.970434
"237075"	334.129826	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+ACN+H"	42.033826
"1213063"	188.081826	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+ACN+H"	42.033826
"1196944"	94.544551	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+ACN+2H"	43.041102
"188886"	337.06716	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+2Na-H"	44.97116
"633757"	483.11516	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+2Na-H"	44.97116
"1132274"	191.01916	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2Na-H"	44.97116
"180557"	169.037218	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+2Na"	45.978436
"623765"	242.061218	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+2Na"	45.978436
"1123626"	96.013218	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2Na"	45.978436
"1401684"	64.3445706666667	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H+2Na"	46.985712
"1437080"	193.060746	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H+HCOOH"	47.012746
"231151"	174.07024	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+3H2O+2H"	56.04448
"1517754"	207.11279	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+IsoProp+H"	61.06479
"417806"	177.024188	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+Na+K"	61.952376
"779532"	250.048188	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+Na+K"	61.952376
"1674039"	104.000188	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Na+K"	61.952376
"256189"	356.111768	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+ACN+Na"	64.015768
"1233272"	210.063768	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+ACN+Na"	64.015768
"1714505"	210.087293	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+NH4+HCOOH"	64.039293
"1180954"	71.6718846666667	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+3Na"	68.967654
"1650274"	215.042688	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Na+HCOOH"	68.994688
"157706"	369.01504	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+2K-H"	76.91904
"600183"	515.06304	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+2K-H"	76.91904
"1086153"	222.96704	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2K-H"	76.91904
"146247"	185.011158	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"2M+2K"	77.926316
"586902"	258.035158	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"3M+2K"	77.926316
"1074694"	111.987158	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2K"	77.926316
"1102073"	224.981592	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2K+H"	78.933592
"1339923"	225.069207	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+DMSO+H"	79.021207
"1008087"	229.108376	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2ACN+H"	83.060376
"1528766"	230.102008	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+IsoProp+Na+H"	84.054008
"996305"	115.057826	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+2ACN+2H"	84.067652
"1590810"	231.016628	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+K+HCOOH"	84.968628
"1416469"	261.048138	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+H+CF3COOH"	115.000138
"1154416"	135.571101	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+3ACN+2H"	125.094202
"1707250"	278.074685	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+NH4+CF3COOH"	132.026685
"1645088"	283.03008	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+Na+CF3COOH"	136.98208
"1580738"	299.00402	"C14473"	"1(2H)-Phthalazinone;Phthalazin-1-one;Phthalazone"	"C8H6N2O"	"146.048"	"M+K+CF3COOH"	152.95602
"802355"	266.0943	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M"	0
"978074"	247.07591	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-H2O-H"	-19.01839
"68502"	176.388924	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M-3H"	-3.021828
"511343"	265.087024	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M-3H"	-3.021828
"888051"	87.690824	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-3H"	-3.021828
"552"	265.087024	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M-2H"	-2.014552
"442184"	398.134174	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M-2H"	-2.014552
"817918"	132.039874	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-2H"	-2.014552
"81800"	531.181324	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M-H"	-1.007276
"519532"	797.275624	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M-H"	-1.007276
"897696"	265.087024	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-H"	-1.007276
"51351"	548.207871	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M-2H+NH4"	16.019271
"495285"	814.302171	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M-2H+NH4"	16.019271
"866158"	282.113571	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-2H+NH4"	16.019271
"36615"	553.163266	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M-2H+Na"	20.974666
"475081"	819.257566	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M-2H+Na"	20.974666
"856163"	287.068966	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-2H+Na"	20.974666
"1619172"	287.068966	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Na-2H"	20.974666
"96756"	283.075363	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M-H+Cl"	33.962126
"542878"	416.122513	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M-H+Cl"	33.962126
"935299"	150.028213	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-H+Cl"	33.962126
"280300"	567.158002	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+Cl"	34.969402
"672842"	833.252302	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+Cl"	34.969402
"1285246"	301.063702	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Cl"	34.969402
"29511"	569.137206	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M-2H+K"	36.948606
"467368"	835.231506	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M-2H+K"	36.948606
"842984"	303.042906	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-2H+K"	36.948606
"1567567"	303.042906	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+K-2H"	36.948606
"953262"	311.092494	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-H+HCOOH"	44.998194
"376100"	577.186801	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+HCOOH-H"	44.998201
"355361"	591.202451	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+Hac-H"	59.013851
"1504193"	325.108151	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Hac-H"	59.013851
"973443"	333.074451	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-H+NaCOOH"	66.980151
"124655"	301.063702	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+2Cl"	69.938804
"559111"	434.110852	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+2Cl"	69.938804
"1033377"	168.016552	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2Cl"	69.938804
"1250767"	345.013185	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Br"	78.918885
"1314307"	347.069172	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Cl+HCOOH"	80.974872
"1329627"	369.051129	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Cl+NaCOOH"	102.956829
"920685"	379.079886	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M-H+CF3COOH"	112.985586
"1295207"	415.056564	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Cl+CF3COOH"	148.962264
"1374460"	231.081624	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H-2H2O"	-35.012676
"1391956"	249.0916	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H-H2O"	-17.0027
"292734"	533.195876	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+H"	1.007276
"677868"	799.290176	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+H"	1.007276
"1353124"	267.101576	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H"	1.007276
"130025"	267.101576	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+2H"	2.014552
"573960"	400.148726	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+2H"	2.014552
"1042760"	134.054426	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2H"	2.014552
"213942"	178.403476	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+3H"	3.021828
"653505"	267.101576	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+3H"	3.021828
"1173817"	89.705376	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+3H"	3.021828
"434536"	550.222423	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+NH4"	18.033823
"796988"	816.316723	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+NH4"	18.033823
"1684936"	284.128123	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+NH4"	18.033823
"333215"	275.6148495	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+H+NH4"	19.041099
"727462"	408.6619995	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+H+NH4"	19.041099
"1479822"	142.5676995	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H+NH4"	19.041099
"395584"	555.177818	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+Na"	22.989218
"756943"	821.272118	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+Na"	22.989218
"1603586"	289.083518	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Na"	22.989218
"314716"	278.092547	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+H+Na"	23.996494
"708473"	411.139697	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+H+Na"	23.996494
"1462780"	145.045397	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H+Na"	23.996494
"1055663"	97.03269	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2H+Na"	25.00377
"1262445"	299.127786	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+CH3OH+H"	33.033486
"382115"	571.151758	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+K"	38.963158
"747484"	837.246058	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+K"	38.963158
"1541881"	305.057458	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+K"	38.963158
"300516"	286.079517	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+H+K"	39.970434
"692574"	419.126667	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+H+K"	39.970434
"1449675"	153.032367	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H+K"	39.970434
"235704"	574.222426	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+ACN+H"	42.033826
"1211351"	308.128126	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+ACN+H"	42.033826
"1195958"	154.567701	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+ACN+2H"	43.041102
"192109"	577.15976	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+2Na-H"	44.97116
"630578"	843.25406	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+2Na-H"	44.97116
"1132268"	311.06546	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2Na-H"	44.97116
"175195"	289.083518	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+2Na"	45.978436
"623509"	422.130668	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+2Na"	45.978436
"1118270"	156.036368	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2Na"	45.978436
"1401794"	104.360004	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H+2Na"	46.985712
"1437188"	313.107046	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H+HCOOH"	47.012746
"230166"	294.11654	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+3H2O+2H"	56.04448
"1518957"	327.15909	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+IsoProp+H"	61.06479
"415728"	297.070488	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+Na+K"	61.952376
"777818"	430.117638	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+Na+K"	61.952376
"1673054"	164.023338	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Na+K"	61.952376
"257392"	596.204368	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+ACN+Na"	64.015768
"1233381"	330.110068	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+ACN+Na"	64.015768
"1713231"	330.133593	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+NH4+HCOOH"	64.039293
"1181062"	111.687318	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+3Na"	68.967654
"1650345"	335.088988	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Na+HCOOH"	68.994688
"159638"	609.10764	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+2K-H"	76.91904
"601752"	875.20194	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+2K-H"	76.91904
"1085897"	343.01334	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2K-H"	76.91904
"144899"	305.057458	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"2M+2K"	77.926316
"584825"	438.104608	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"3M+2K"	77.926316
"1074804"	172.010308	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2K"	77.926316
"1104733"	345.027892	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2K+H"	78.933592
"1340033"	345.115507	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+DMSO+H"	79.021207
"1009658"	349.154676	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2ACN+H"	83.060376
"1527054"	350.148308	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+IsoProp+Na+H"	84.054008
"995322"	175.080976	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+2ACN+2H"	84.067652
"1588735"	351.062928	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+K+HCOOH"	84.968628
"1417673"	381.094438	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+H+CF3COOH"	115.000138
"1149053"	195.594251	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+3ACN+2H"	125.094202
"1708454"	398.120985	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+NH4+CF3COOH"	132.026685
"1646291"	403.07638	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+Na+CF3COOH"	136.98208
"1580848"	419.05032	"C14474"	"Benzarone;2-Ethyl-3-(4-hydroxybenzoyl)benzofuran"	"C17H14O3"	"266.0943"	"M+K+CF3COOH"	152.95602
"807932"	316.2402	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M"	0
"981464"	297.22181	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"74079"	209.819524	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"512546"	315.232924	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"890348"	104.406124	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"2368"	315.232924	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"445210"	473.353024	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"823011"	157.112824	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"80814"	631.473124	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"521103"	947.713324	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"897567"	315.232924	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"53648"	648.499671	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"497582"	964.739871	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"868092"	332.259471	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"36724"	653.455066	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"477378"	969.695266	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"854086"	337.214866	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1620338"	337.214866	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"96866"	333.221263	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"542987"	491.341363	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"935409"	175.101163	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"282114"	667.449802	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"674289"	983.690002	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1285356"	351.209602	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"29017"	669.429006	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"469302"	985.669206	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"845282"	353.188806	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1565490"	353.188806	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"954466"	361.238394	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"375964"	677.478601	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"355471"	691.494251	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1506491"	375.254051	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"974010"	383.220351	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"121849"	351.209602	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"564688"	509.329702	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1033487"	193.089502	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1249784"	395.159085	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1315510"	397.215072	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1330830"	419.197029	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"922980"	429.225786	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1298597"	465.202464	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1375662"	281.227524	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1389879"	299.2375	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"289564"	633.487676	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"677978"	949.727876	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1353962"	317.247476	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"134510"	317.247476	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"574072"	475.367576	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1045056"	159.127376	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"212959"	211.834076	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"655803"	317.247476	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1176115"	106.420676	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"432825"	650.514223	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"796007"	966.754423	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1692336"	334.274023	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"337335"	325.7607495	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"727573"	483.8808495	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1482485"	167.6406495	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"398976"	655.469618	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"758878"	971.709818	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1604061"	339.229418	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"315192"	328.238447	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"708585"	486.358547	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1464351"	170.118347	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1059785"	113.74799	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1262556"	349.273686	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"387693"	671.443558	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"751968"	987.683758	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1543087"	355.203358	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"301720"	336.225417	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"697058"	494.345517	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1455252"	178.105317	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"243855"	674.514226	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1218749"	358.274026	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1198260"	179.640651	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"190036"	677.45156	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"630690"	993.69176	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1137478"	361.21136	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"174933"	339.229418	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"614868"	497.349518	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1124937"	181.109318	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1411743"	121.075304	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1437298"	363.252946	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"230275"	344.26244	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1520524"	377.30499	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"419118"	347.216388	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"780114"	505.336488	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1675350"	189.096288	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"259689"	696.496168	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1235678"	380.255968	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1722380"	380.279493	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1189921"	128.402618	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1656535"	385.234888	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"167768"	709.39944	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"608422"	1025.63964	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1094028"	393.15924	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"147563"	355.203358	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"587124"	513.323458	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1073821"	197.083258	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1103749"	395.173792	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1338678"	395.261407	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1009769"	399.300576	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1530080"	400.294208	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"997618"	200.153926	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1588845"	401.208828	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1417783"	431.240338	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1148070"	220.667201	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1708200"	448.266885	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1646401"	453.22228	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1580958"	469.19622	"C14475"	"Bolasterone;7alpha17alpha-Dimethyltestosterone;17beta-Hydroxy-7alpha17-dimethylandrost-4-en-3-one;U19763"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"801846"	344.0896	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M"	0
"975378"	325.07121	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"67629"	228.385790666667	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"512656"	343.082324	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"886085"	113.689257333333	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"3571"	343.082324	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"446413"	515.127124	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"818382"	171.037524	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"80194"	687.171924	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"521211"	1031.261524	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"897189"	343.082324	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"53758"	704.198471	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"497692"	1048.288071	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"867836"	360.108871	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"36834"	709.153866	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"477488"	1053.243466	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"855289"	365.064266	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1620448"	365.064266	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"97340"	361.070663	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"542004"	533.115463	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"937706"	189.025863	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"281370"	723.148602	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"673426"	1067.238202	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1286560"	379.059002	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"28032"	725.127806	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"466498"	1069.217406	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"846486"	381.038206	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1567788"	381.038206	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"952388"	389.087794	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"371699"	733.177401	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"357769"	747.193051	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1507577"	403.103451	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"973540"	411.069751	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"123420"	379.059002	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"564798"	551.103802	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1033597"	207.014202	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1253173"	423.008485	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1319266"	425.064472	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1333128"	447.046429	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"923092"	457.075186	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1296521"	493.051864	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1374679"	309.076924	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1392175"	327.0869	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"289674"	689.186476	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"679911"	1033.276076	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1353708"	345.096876	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"134620"	345.096876	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"575275"	517.141676	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1045166"	173.052076	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"210883"	230.400342666667	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"651533"	345.096876	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1175132"	115.703809333333	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"434028"	706.213023	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"795024"	1050.302623	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1690261"	362.123423	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"337446"	353.6101495	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"732056"	525.6549495	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1483689"	181.5653495	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"401274"	711.168418	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"764454"	1055.258018	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1605267"	367.078818	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"319314"	356.087847	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"711735"	528.132647	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1465554"	184.043047	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1054427"	123.031123333333	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1263759"	377.123086	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"388897"	727.142358	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"747705"	1071.231958	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1546478"	383.052758	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"301102"	364.074817	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"696438"	536.119617	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1453176"	192.030017	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"243965"	730.213026	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1217768"	386.123426	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1198372"	193.565351	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"191240"	733.15036	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"633351"	1077.23996	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1135401"	389.06076	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"177594"	367.078818	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"615338"	539.123618	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1118486"	195.034018	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1410760"	130.358437333333	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1435220"	391.102346	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"229291"	372.11184	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1517355"	405.15439	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"419228"	375.065788	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"780224"	547.110588	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1673274"	203.020988	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"259795"	752.194968	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1232508"	408.105368	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1717024"	408.128893	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1187846"	137.685751333333	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1653365"	413.084288	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"165693"	765.09824	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"607438"	1109.18784	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1085391"	421.00864	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"145486"	383.052758	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"587233"	555.097558	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1072837"	211.007958	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1103857"	423.023192	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1337693"	423.110807	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1010972"	427.149976	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1530191"	428.143608	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"993355"	214.078626	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1588955"	429.058228	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1418986"	459.089738	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1149273"	234.591901	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1708674"	476.116285	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1646511"	481.07168	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1581068"	497.04562	"C14476"	"Xanthomicrol;45-Dihydroxy-678-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"803413"	354.237	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M"	0
"978404"	335.21861	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-H2O-H"	-19.01839
"68834"	235.150724	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M-3H"	-3.021828
"512767"	353.229724	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M-3H"	-3.021828
"886195"	117.071724	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-3H"	-3.021828
"3681"	353.229724	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M-2H"	-2.014552
"445430"	530.348224	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M-2H"	-2.014552
"823234"	176.111224	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-2H"	-2.014552
"85411"	707.466724	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M-H"	-1.007276
"520961"	1061.703724	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M-H"	-1.007276
"910755"	353.229724	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-H"	-1.007276
"61403"	724.493271	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M-2H+NH4"	16.019271
"496710"	1078.730271	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M-2H+NH4"	16.019271
"867583"	370.256271	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-2H+NH4"	16.019271
"44600"	729.448666	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M-2H+Na"	20.974666
"483067"	1083.685666	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M-2H+Na"	20.974666
"858680"	375.211666	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-2H+Na"	20.974666
"1630400"	375.211666	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Na-2H"	20.974666
"100368"	371.218063	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M-H+Cl"	33.962126
"546489"	548.336563	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M-H+Cl"	33.962126
"936724"	194.099563	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-H+Cl"	33.962126
"279657"	743.443402	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+Cl"	34.969402
"670984"	1097.680402	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+Cl"	34.969402
"1285577"	389.206402	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Cl"	34.969402
"28870"	745.422606	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M-2H+K"	36.948606
"467702"	1099.659606	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M-2H+K"	36.948606
"844410"	391.185606	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-2H+K"	36.948606
"1565711"	391.185606	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+K-2H"	36.948606
"953594"	399.235194	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-H+HCOOH"	44.998194
"370715"	753.472201	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+HCOOH-H"	44.998201
"358609"	767.487851	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+Hac-H"	59.013851
"1506711"	413.250851	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Hac-H"	59.013851
"973160"	421.217151	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-H+NaCOOH"	66.980151
"123167"	389.206402	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+2Cl"	69.938804
"561269"	566.324902	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+2Cl"	69.938804
"1033708"	212.087902	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2Cl"	69.938804
"1254377"	433.155885	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Br"	78.918885
"1312815"	435.211872	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Cl+HCOOH"	80.974872
"1333602"	457.193829	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Cl+NaCOOH"	102.956829
"924295"	467.222586	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M-H+CF3COOH"	112.985586
"1295901"	503.199264	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Cl+CF3COOH"	148.962264
"1374789"	319.224324	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H-2H2O"	-35.012676
"1386089"	337.2343	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H-H2O"	-17.0027
"291971"	709.481276	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+H"	1.007276
"681478"	1063.718276	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+H"	1.007276
"1353818"	355.244276	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H"	1.007276
"131815"	355.244276	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+2H"	2.014552
"574292"	532.362776	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+2H"	2.014552
"1041997"	178.125776	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2H"	2.014552
"206616"	237.165276	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+3H"	3.021828
"649456"	355.244276	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+3H"	3.021828
"1175971"	119.086276	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+3H"	3.021828
"431951"	726.507823	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+NH4"	18.033823
"792948"	1080.744823	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+NH4"	18.033823
"1690373"	372.270823	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+NH4"	18.033823
"337555"	363.7575495	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+H+NH4"	19.041099
"729981"	540.8760495	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+H+NH4"	19.041099
"1485984"	186.6390495	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H+NH4"	19.041099
"401385"	731.463218	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+Na"	22.989218
"762378"	1085.700218	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+Na"	22.989218
"1605013"	377.226218	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Na"	22.989218
"320518"	366.235247	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+H+Na"	23.996494
"710752"	543.353747	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+H+Na"	23.996494
"1465664"	189.116747	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H+Na"	23.996494
"1055263"	126.41359	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2H+Na"	25.00377
"1263869"	387.270486	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+CH3OH+H"	33.033486
"389007"	747.437158	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+K"	38.963158
"748908"	1101.674158	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+K"	38.963158
"1548774"	393.200158	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+K"	38.963158
"301212"	374.222217	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+H+K"	39.970434
"696548"	551.340717	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+H+K"	39.970434
"1454379"	197.103717	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H+K"	39.970434
"242982"	750.507826	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+ACN+H"	42.033826
"1220062"	396.270826	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+ACN+H"	42.033826
"1205040"	198.639051	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+ACN+2H"	43.041102
"197910"	753.44516	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+2Na-H"	44.97116
"633095"	1107.68216	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+2Na-H"	44.97116
"1134779"	399.20816	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2Na-H"	44.97116
"177704"	377.226218	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+2Na"	45.978436
"614598"	554.344718	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+2Na"	45.978436
"1117499"	200.107718	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2Na"	45.978436
"1408684"	133.740904	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H+2Na"	46.985712
"1434237"	401.249746	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H+HCOOH"	47.012746
"225026"	382.25924	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+3H2O+2H"	56.04448
"1516369"	415.30179	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+IsoProp+H"	61.06479
"412776"	385.213188	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+Na+K"	61.952376
"775959"	562.331688	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+Na+K"	61.952376
"1673384"	208.094688	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Na+K"	61.952376
"257719"	772.489768	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+ACN+Na"	64.015768
"1232618"	418.252768	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+ACN+Na"	64.015768
"1720414"	418.276293	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+NH4+HCOOH"	64.039293
"1189048"	141.068218	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+3Na"	68.967654
"1658942"	423.231688	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Na+HCOOH"	68.994688
"166896"	785.39304	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+2K-H"	76.91904
"606455"	1139.63004	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+2K-H"	76.91904
"1085865"	431.15604	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2K-H"	76.91904
"145596"	393.200158	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"2M+2K"	77.926316
"588435"	570.318658	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"3M+2K"	77.926316
"1072947"	216.081658	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2K"	77.926316
"1103967"	433.170592	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2K+H"	78.933592
"1338289"	433.258207	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+DMSO+H"	79.021207
"1011082"	437.297376	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2ACN+H"	83.060376
"1528115"	438.291008	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+IsoProp+Na+H"	84.054008
"994558"	219.152326	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+2ACN+2H"	84.067652
"1590157"	439.205628	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+K+HCOOH"	84.968628
"1415815"	469.237138	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+H+CF3COOH"	115.000138
"1149383"	239.665601	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+3ACN+2H"	125.094202
"1701124"	486.263685	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+NH4+CF3COOH"	132.026685
"1646257"	491.21908	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+Na+CF3COOH"	136.98208
"1581178"	507.19302	"C14477"	"33-Difluoro-5alpha-androstan-17beta-yl acetate;33-Difluoroandrostane-17-ol acetate"	"C21H32F2O2"	"354.237"	"M+K+CF3COOH"	152.95602
"802795"	344.1988	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M"	0
"977420"	325.18041	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-H2O-H"	-19.01839
"70037"	228.458590666667	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M-3H"	-3.021828
"509596"	343.191524	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M-3H"	-3.021828
"887400"	113.725657333333	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-3H"	-3.021828
"1604"	343.191524	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M-2H"	-2.014552
"446633"	515.290924	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M-2H"	-2.014552
"824436"	171.092124	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-2H"	-2.014552
"83334"	687.390324	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M-H"	-1.007276
"518762"	1031.589124	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M-H"	-1.007276
"906165"	343.191524	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-H"	-1.007276
"59447"	704.416871	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M-2H+NH4"	16.019271
"496820"	1048.615671	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M-2H+NH4"	16.019271
"864777"	360.218071	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-2H+NH4"	16.019271
"41430"	709.372266	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M-2H+Na"	20.974666
"483177"	1053.571066	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M-2H+Na"	20.974666
"853323"	365.173466	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-2H+Na"	20.974666
"1627230"	365.173466	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Na-2H"	20.974666
"103759"	361.179863	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M-H+Cl"	33.962126
"543319"	533.279263	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M-H+Cl"	33.962126
"933554"	189.080463	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-H+Cl"	33.962126
"281955"	723.367002	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+Cl"	34.969402
"671094"	1067.565802	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+Cl"	34.969402
"1285322"	379.168202	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Cl"	34.969402
"28251"	725.346206	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M-2H+K"	36.948606
"467813"	1069.545006	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M-2H+K"	36.948606
"846343"	381.147406	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-2H+K"	36.948606
"1568737"	381.147406	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+K-2H"	36.948606
"954433"	389.196994	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-H+HCOOH"	44.998194
"373013"	733.395801	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+HCOOH-H"	44.998201
"356895"	747.411451	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+Hac-H"	59.013851
"1506821"	403.212651	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Hac-H"	59.013851
"973270"	411.178951	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-H+NaCOOH"	66.980151
"124975"	379.168202	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+2Cl"	69.938804
"564657"	551.267602	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+2Cl"	69.938804
"1032724"	207.068802	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2Cl"	69.938804
"1253394"	423.117685	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Br"	78.918885
"1312561"	425.173672	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Cl+HCOOH"	80.974872
"1332985"	447.155629	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Cl+NaCOOH"	102.956829
"921124"	457.184386	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M-H+CF3COOH"	112.985586
"1295647"	493.161064	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Cl+CF3COOH"	148.962264
"1373805"	309.186124	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H-2H2O"	-35.012676
"1386199"	327.1961	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H-H2O"	-17.0027
"286979"	689.404876	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+H"	1.007276
"679036"	1033.603676	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+H"	1.007276
"1352468"	345.206076	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H"	1.007276
"131562"	345.206076	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+2H"	2.014552
"571121"	517.305476	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+2H"	2.014552
"1041013"	173.106676	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2H"	2.014552
"210005"	230.473142666667	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+3H"	3.021828
"648471"	345.206076	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+3H"	3.021828
"1169883"	115.740209333333	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+3H"	3.021828
"434250"	706.431423	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+NH4"	18.033823
"796702"	1050.630223	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+NH4"	18.033823
"1692669"	362.232623	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+NH4"	18.033823
"337665"	353.7193495	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+H+NH4"	19.041099
"732277"	525.8187495	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+H+NH4"	19.041099
"1486094"	181.6199495	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H+NH4"	19.041099
"400399"	711.386818	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+Na"	22.989218
"766862"	1055.585618	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+Na"	22.989218
"1605365"	367.188018	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Na"	22.989218
"320628"	356.197047	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+H+Na"	23.996494
"710862"	528.296447	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+H+Na"	23.996494
"1464681"	184.097647	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H+Na"	23.996494
"1059020"	123.067523333333	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2H+Na"	25.00377
"1266165"	377.232286	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+CH3OH+H"	33.033486
"389117"	727.360758	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+K"	38.963158
"751204"	1071.559558	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+K"	38.963158
"1545604"	383.161958	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+K"	38.963158
"303872"	364.184017	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+H+K"	39.970434
"697389"	536.283417	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+H+K"	39.970434
"1455583"	192.084617	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H+K"	39.970434
"241999"	730.431426	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+ACN+H"	42.033826
"1215801"	386.232626	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+ACN+H"	42.033826
"1204057"	193.619951	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+ACN+2H"	43.041102
"198021"	733.36876	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+2Na-H"	44.97116
"633205"	1077.56756	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+2Na-H"	44.97116
"1133431"	389.16996	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2Na-H"	44.97116
"175628"	367.188018	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+2Na"	45.978436
"615553"	539.287418	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+2Na"	45.978436
"1117609"	195.088618	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2Na"	45.978436
"1400164"	130.394837333333	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H+2Na"	46.985712
"1431067"	391.211546	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H+HCOOH"	47.012746
"222218"	372.22104	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+3H2O+2H"	56.04448
"1512104"	405.26359	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+IsoProp+H"	61.06479
"409606"	375.174988	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+Na+K"	61.952376
"774970"	547.274388	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+Na+K"	61.952376
"1670210"	203.075588	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Na+K"	61.952376
"258922"	752.413368	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+ACN+Na"	64.015768
"1233820"	408.214568	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+ACN+Na"	64.015768
"1719431"	408.238093	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+NH4+HCOOH"	64.039293
"1189158"	137.722151333333	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+3Na"	68.967654
"1657959"	413.193488	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Na+HCOOH"	68.994688
"169194"	765.31664	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+2K-H"	76.91904
"607659"	1109.51544	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+2K-H"	76.91904
"1087797"	421.11784	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2K-H"	76.91904
"144977"	383.161958	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"2M+2K"	77.926316
"586359"	555.261358	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"3M+2K"	77.926316
"1075243"	211.062558	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2K"	77.926316
"1106264"	423.132392	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2K+H"	78.933592
"1339372"	423.220007	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+DMSO+H"	79.021207
"1010095"	427.259176	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2ACN+H"	83.060376
"1530411"	428.252808	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+IsoProp+Na+H"	84.054008
"993575"	214.133226	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+2ACN+2H"	84.067652
"1589539"	429.167428	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+K+HCOOH"	84.968628
"1415196"	459.198938	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+H+CF3COOH"	115.000138
"1148400"	234.646501	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+3ACN+2H"	125.094202
"1701234"	476.225485	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+NH4+CF3COOH"	132.026685
"1636890"	481.18088	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+Na+CF3COOH"	136.98208
"1581288"	497.15482	"C14478"	"21-Deoxycortisone;17alpha-Hydroxypregn-4-ene-31120-trione"	"C21H28O4"	"344.1988"	"M+K+CF3COOH"	152.95602
"805092"	410.1905	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M"	0
"981904"	391.17211	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-H2O-H"	-19.01839
"71241"	272.453057333333	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M-3H"	-3.021828
"512986"	409.183224	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M-3H"	-3.021828
"889696"	135.722890666667	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-3H"	-3.021828
"3901"	409.183224	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M-2H"	-2.014552
"445650"	614.278474	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M-2H"	-2.014552
"823453"	204.087974	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-2H"	-2.014552
"83444"	819.373724	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M-H"	-1.007276
"518869"	1229.564224	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M-H"	-1.007276
"905182"	409.183224	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-H"	-1.007276
"59557"	836.400271	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M-2H+NH4"	16.019271
"496930"	1246.590771	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M-2H+NH4"	16.019271
"868170"	426.209771	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-2H+NH4"	16.019271
"41540"	841.355666	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M-2H+Na"	20.974666
"483287"	1251.546166	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M-2H+Na"	20.974666
"862181"	431.165166	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-2H+Na"	20.974666
"1627340"	431.165166	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Na-2H"	20.974666
"102776"	427.171563	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M-H+Cl"	33.962126
"541242"	632.266813	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M-H+Cl"	33.962126
"933664"	222.076313	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-H+Cl"	33.962126
"280971"	855.350402	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+Cl"	34.969402
"669018"	1265.540902	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+Cl"	34.969402
"1285796"	445.159902	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Cl"	34.969402
"26174"	857.329606	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M-2H+K"	36.948606
"467922"	1267.520106	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M-2H+K"	36.948606
"847182"	447.139106	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-2H+K"	36.948606
"1568118"	447.139106	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+K-2H"	36.948606
"951627"	455.188694	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-H+HCOOH"	44.998194
"372030"	865.379201	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+HCOOH-H"	44.998201
"354818"	879.394851	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+Hac-H"	59.013851
"1506568"	469.204351	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Hac-H"	59.013851
"972286"	477.170651	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-H+NaCOOH"	66.980151
"123746"	445.159902	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+2Cl"	69.938804
"561848"	650.255152	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+2Cl"	69.938804
"1031742"	240.064652	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2Cl"	69.938804
"1253504"	489.109385	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Br"	78.918885
"1314858"	491.165372	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Cl+HCOOH"	80.974872
"1329079"	513.147329	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Cl+NaCOOH"	102.956829
"916856"	523.176086	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M-H+CF3COOH"	112.985586
"1294659"	559.152764	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Cl+CF3COOH"	148.962264
"1376102"	375.177824	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H-2H2O"	-35.012676
"1385213"	393.1878	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H-H2O"	-17.0027
"286725"	821.388276	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+H"	1.007276
"680241"	1231.578776	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+H"	1.007276
"1355497"	411.197776	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H"	1.007276
"131672"	411.197776	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+2H"	2.014552
"570138"	616.293026	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+2H"	2.014552
"1042216"	206.102526	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2H"	2.014552
"211211"	274.467609333333	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+3H"	3.021828
"649675"	411.197776	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+3H"	3.021828
"1177286"	137.737442666667	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+3H"	3.021828
"438372"	838.414823	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+NH4"	18.033823
"799366"	1248.605323	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+NH4"	18.033823
"1694239"	428.224323	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+NH4"	18.033823
"338871"	419.7110495	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+H+NH4"	19.041099
"732387"	624.8062995	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+H+NH4"	19.041099
"1486206"	214.6157995	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H+NH4"	19.041099
"405613"	843.370218	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+Na"	22.989218
"766609"	1253.560718	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+Na"	22.989218
"1606327"	433.179718	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Na"	22.989218
"319645"	422.188747	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+H+Na"	23.996494
"713158"	627.283997	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+H+Na"	23.996494
"1465884"	217.093497	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H+Na"	23.996494
"1062410"	145.064756666667	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2H+Na"	25.00377
"1266275"	443.223986	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+CH3OH+H"	33.033486
"388133"	859.344158	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+K"	38.963158
"751314"	1269.534658	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+K"	38.963158
"1546808"	449.153658	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+K"	38.963158
"310182"	430.175717	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+H+K"	39.970434
"699687"	635.270967	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+H+K"	39.970434
"1455694"	225.080467	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H+K"	39.970434
"239557"	862.414826	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+ACN+H"	42.033826
"1220285"	452.224326	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+ACN+H"	42.033826
"1205260"	226.615801	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+ACN+2H"	43.041102
"201047"	865.35216	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+2Na-H"	44.97116
"632222"	1275.54266	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+2Na-H"	44.97116
"1136458"	455.16166	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2Na-H"	44.97116
"175737"	433.179718	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+2Na"	45.978436
"615662"	638.274968	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+2Na"	45.978436
"1117352"	228.084468	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2Na"	45.978436
"1400151"	152.392070666667	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H+2Na"	46.985712
"1431177"	457.203246	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H+HCOOH"	47.012746
"224518"	438.21274	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+3H2O+2H"	56.04448
"1510393"	471.25529	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+IsoProp+H"	61.06479
"409108"	441.166688	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+Na+K"	61.952376
"771805"	646.261938	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+Na+K"	61.952376
"1667406"	236.071438	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Na+K"	61.952376
"256116"	884.396768	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+ACN+Na"	64.015768
"1232837"	474.206268	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+ACN+Na"	64.015768
"1722821"	474.229793	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+NH4+HCOOH"	64.039293
"1184893"	159.719384666667	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+3Na"	68.967654
"1659162"	479.185188	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Na+HCOOH"	68.994688
"169303"	897.30004	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+2K-H"	76.91904
"608862"	1307.49054	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+2K-H"	76.91904
"1090094"	487.10954	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2K-H"	76.91904
"144723"	449.153658	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"2M+2K"	77.926316
"585376"	654.248908	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"3M+2K"	77.926316
"1075353"	244.058408	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2K"	77.926316
"1105282"	489.124092	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2K+H"	78.933592
"1338024"	489.211707	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+DMSO+H"	79.021207
"1010205"	493.250876	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2ACN+H"	83.060376
"1530520"	494.244508	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+IsoProp+Na+H"	84.054008
"993685"	247.129076	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+2ACN+2H"	84.067652
"1589285"	495.159128	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+K+HCOOH"	84.968628
"1415428"	525.190638	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+H+CF3COOH"	115.000138
"1149604"	267.642351	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+3ACN+2H"	125.094202
"1700252"	542.217185	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+NH4+CF3COOH"	132.026685
"1637000"	547.17258	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+Na+CF3COOH"	136.98208
"1581398"	563.14652	"C14479"	"Flumethasone;6alpha9-Difluoro-11beta1721-trihydroxy-16alpha-methylpregna-14-diene-320-dione"	"C22H28F2O5"	"410.1905"	"M+K+CF3COOH"	152.95602
"811763"	138.0178	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M"	0
"980922"	118.99941	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-H2O-H"	-19.01839
"72445"	91.0045906666667	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M-3H"	-3.021828
"514192"	137.010524	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M-3H"	-3.021828
"885433"	44.9986573333333	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-3H"	-3.021828
"4011"	137.010524	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M-2H"	-2.014552
"444668"	206.019424	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M-2H"	-2.014552
"822470"	68.001624	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-2H"	-2.014552
"80274"	275.028324	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M-H"	-1.007276
"519225"	413.046124	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M-H"	-1.007276
"906385"	137.010524	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-H"	-1.007276
"58574"	292.054871	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M-2H+NH4"	16.019271
"493760"	430.072671	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M-2H+NH4"	16.019271
"866457"	154.037071	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-2H+NH4"	16.019271
"41650"	297.010266	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M-2H+Na"	20.974666
"481209"	435.028066	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M-2H+Na"	20.974666
"856824"	158.992466	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-2H+Na"	20.974666
"1629638"	158.992466	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Na-2H"	20.974666
"96324"	154.998863	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M-H+Cl"	33.962126
"538071"	224.007763	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M-H+Cl"	33.962126
"932679"	85.989963	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-H+Cl"	33.962126
"275612"	311.005002	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+Cl"	34.969402
"665848"	449.022802	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+Cl"	34.969402
"1283719"	172.987202	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Cl"	34.969402
"25191"	312.984206	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M-2H+K"	36.948606
"468763"	451.002006	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M-2H+K"	36.948606
"846199"	174.966406	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-2H+K"	36.948606
"1567134"	174.966406	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+K-2H"	36.948606
"952831"	183.015994	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-H+HCOOH"	44.998194
"372140"	321.033801	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+HCOOH-H"	44.998201
"354929"	335.049451	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+Hac-H"	59.013851
"1503762"	197.031651	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Hac-H"	59.013851
"969115"	204.997951	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-H+NaCOOH"	66.980151
"122396"	172.987202	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+2Cl"	69.938804
"561958"	241.996102	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+2Cl"	69.938804
"1031853"	103.978302	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2Cl"	69.938804
"1254707"	216.936685	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Br"	78.918885
"1316061"	218.992672	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Cl+HCOOH"	80.974872
"1328097"	240.974629	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Cl+NaCOOH"	102.956829
"918059"	251.003386	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M-H+CF3COOH"	112.985586
"1294769"	286.980064	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Cl+CF3COOH"	148.962264
"1372934"	103.005124	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H-2H2O"	-35.012676
"1389337"	121.0151	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H-H2O"	-17.0027
"292669"	277.042876	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+H"	1.007276
"679259"	415.060676	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+H"	1.007276
"1356702"	139.025076	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H"	1.007276
"131782"	139.025076	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+2H"	2.014552
"571704"	208.033976	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+2H"	2.014552
"1042326"	70.016176	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2H"	2.014552
"212414"	93.0191426666667	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+3H"	3.021828
"650878"	139.025076	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+3H"	3.021828
"1174481"	47.0132093333333	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+3H"	3.021828
"438120"	294.069423	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+NH4"	18.033823
"799479"	432.087223	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+NH4"	18.033823
"1691799"	156.051623	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+NH4"	18.033823
"342262"	147.5383495	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+H+NH4"	19.041099
"735410"	216.5472495	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+H+NH4"	19.041099
"1488502"	78.5294495	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H+NH4"	19.041099
"400619"	299.024818	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+Na"	22.989218
"767447"	437.042618	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+Na"	22.989218
"1608625"	161.007018	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Na"	22.989218
"323035"	150.016047	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+H+Na"	23.996494
"714362"	219.024947	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+H+Na"	23.996494
"1465993"	81.007147	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H+Na"	23.996494
"1057051"	54.3405233333333	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2H+Na"	25.00377
"1264198"	171.051286	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+CH3OH+H"	33.033486
"389333"	314.998758	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+K"	38.963158
"750329"	453.016558	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+K"	38.963158
"1551293"	176.980958	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+K"	38.963158
"308469"	158.003017	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+H+K"	39.970434
"696519"	227.011917	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+H+K"	39.970434
"1453619"	88.994117	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H+K"	39.970434
"241128"	318.069426	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+ACN+H"	42.033826
"1219302"	180.051626	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+ACN+H"	42.033826
"1204278"	90.529451	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+ACN+2H"	43.041102
"196054"	321.00676	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+2Na-H"	44.97116
"635977"	459.02456	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+2Na-H"	44.97116
"1136567"	182.98896	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2Na-H"	44.97116
"175120"	161.007018	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+2Na"	45.978436
"616867"	230.015918	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+2Na"	45.978436
"1117458"	91.998118	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2Na"	45.978436
"1400259"	61.6678373333333	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H+2Na"	46.985712
"1430109"	185.030546	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H+HCOOH"	47.012746
"224264"	166.04004	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+3H2O+2H"	56.04448
"1509769"	199.08259	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+IsoProp+H"	61.06479
"410551"	168.993988	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+Na+K"	61.952376
"772397"	238.002888	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+Na+K"	61.952376
"1667151"	99.985088	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Na+K"	61.952376
"254769"	340.051368	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+ACN+Na"	64.015768
"1229668"	202.033568	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+ACN+Na"	64.015768
"1725118"	202.057093	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+NH4+HCOOH"	64.039293
"1182817"	68.9951513333333	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+3Na"	68.967654
"1660366"	207.012488	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Na+HCOOH"	68.994688
"169413"	352.95464	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+2K-H"	76.91904
"607879"	490.97244	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+2K-H"	76.91904
"1089111"	214.93684	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2K-H"	76.91904
"144833"	176.980958	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"2M+2K"	77.926316
"585486"	245.989858	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"3M+2K"	77.926316
"1073278"	107.972058	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2K"	77.926316
"1104299"	216.951392	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2K+H"	78.933592
"1338499"	217.039007	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+DMSO+H"	79.021207
"1010315"	221.078176	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2ACN+H"	83.060376
"1529537"	222.071808	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+IsoProp+Na+H"	84.054008
"993795"	111.042726	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+2ACN+2H"	84.067652
"1591581"	222.986428	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+K+HCOOH"	84.968628
"1416146"	253.017938	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+H+CF3COOH"	115.000138
"1156276"	131.556001	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+3ACN+2H"	125.094202
"1699270"	270.044485	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+NH4+CF3COOH"	132.026685
"1634919"	274.99988	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+Na+CF3COOH"	136.98208
"1572760"	290.97382	"C14480"	"5-Diazouracil;26-Dioxo-5-diazopyrimidine"	"C4H2N4O2"	"138.0178"	"M+K+CF3COOH"	152.95602
"815156"	239.0946	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M"	0
"984313"	220.07621	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-H2O-H"	-19.01839
"78543"	158.389124	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M-3H"	-3.021828
"516855"	238.087324	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M-3H"	-3.021828
"888823"	78.690924	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-3H"	-3.021828
"9588"	238.087324	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M-2H"	-2.014552
"448058"	357.634624	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M-2H"	-2.014552
"825860"	118.540024	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-2H"	-2.014552
"88039"	477.181924	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M-H"	-1.007276
"522130"	716.276524	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M-H"	-1.007276
"909049"	238.087324	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-H"	-1.007276
"60870"	494.208471	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+NH4"	16.019271
"496056"	733.303071	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+NH4"	16.019271
"870576"	255.113871	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-2H+NH4"	16.019271
"40666"	499.163866	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+Na"	20.974666
"481319"	738.258466	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+Na"	20.974666
"859121"	260.069266	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-2H+Na"	20.974666
"1627560"	260.069266	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Na-2H"	20.974666
"96186"	256.075663	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M-H+Cl"	33.962126
"538177"	375.622963	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M-H+Cl"	33.962126
"930600"	136.528363	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-H+Cl"	33.962126
"275722"	513.158602	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+Cl"	34.969402
"670331"	752.253202	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+Cl"	34.969402
"1283829"	274.064002	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Cl"	34.969402
"25301"	515.137806	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+K"	36.948606
"468142"	754.232406	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+K"	36.948606
"846311"	276.043206	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-2H+K"	36.948606
"1567245"	276.043206	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+K-2H"	36.948606
"952941"	284.092794	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-H+HCOOH"	44.998194
"373344"	523.187401	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+HCOOH-H"	44.998201
"356132"	537.203051	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+Hac-H"	59.013851
"1502780"	298.108451	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Hac-H"	59.013851
"969225"	306.074751	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-H+NaCOOH"	66.980151
"120320"	274.064002	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+2Cl"	69.938804
"560977"	393.611302	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+2Cl"	69.938804
"1033422"	154.516702	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2Cl"	69.938804
"1252996"	318.013485	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Br"	78.918885
"1316901"	320.069472	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+HCOOH"	80.974872
"1326385"	342.051429	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+NaCOOH"	102.956829
"917077"	352.080186	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M-H+CF3COOH"	112.985586
"1293786"	388.056864	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+CF3COOH"	148.962264
"1373775"	204.081924	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H-2H2O"	-35.012676
"1388355"	222.0919	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H-H2O"	-17.0027
"290226"	479.196476	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+H"	1.007276
"683746"	718.291076	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+H"	1.007276
"1359000"	240.101876	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H"	1.007276
"134079"	240.101876	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+2H"	2.014552
"574733"	359.649176	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+2H"	2.014552
"1043530"	120.554576	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2H"	2.014552
"211430"	160.403676	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+3H"	3.021828
"648802"	240.101876	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+3H"	3.021828
"1178079"	80.705476	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+3H"	3.021828
"439841"	496.223023	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+NH4"	18.033823
"801317"	735.317623	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+NH4"	18.033823
"1696937"	257.128423	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+NH4"	18.033823
"344925"	248.6151495	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+H+NH4"	19.041099
"735887"	368.1624495	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+H+NH4"	19.041099
"1489706"	129.0678495	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H+NH4"	19.041099
"407291"	501.178418	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+Na"	22.989218
"768289"	740.273018	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+Na"	22.989218
"1613109"	262.083818	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Na"	22.989218
"325332"	251.092847	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+H+Na"	23.996494
"716659"	370.640147	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+H+Na"	23.996494
"1469383"	131.545547	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H+Na"	23.996494
"1059349"	88.03279	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2H+Na"	25.00377
"1267588"	272.128086	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+CH3OH+H"	33.033486
"388349"	517.152358	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+K"	38.963158
"750438"	756.246958	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+K"	38.963158
"1554688"	278.057758	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+K"	38.963158
"312958"	259.079817	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+H+K"	39.970434
"703189"	378.627117	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+H+K"	39.970434
"1459198"	139.532517	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H+K"	39.970434
"245612"	520.223026	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+H"	42.033826
"1220507"	281.128426	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+H"	42.033826
"1203295"	141.067851	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+2H"	43.041102
"199445"	523.16036	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na-H"	44.97116
"634632"	762.25496	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na-H"	44.97116
"1137042"	284.06576	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2Na-H"	44.97116
"175232"	262.083818	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na"	45.978436
"613454"	381.631118	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na"	45.978436
"1117081"	142.536518	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2Na"	45.978436
"1400005"	95.360104	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H+2Na"	46.985712
"1430908"	286.107346	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H+HCOOH"	47.012746
"227656"	267.11684	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+3H2O+2H"	56.04448
"1509155"	300.15939	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+H"	61.06479
"410297"	270.070788	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+Na+K"	61.952376
"771416"	389.618088	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+Na+K"	61.952376
"1668354"	150.523488	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Na+K"	61.952376
"253785"	542.204968	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+Na"	64.015768
"1230872"	303.110368	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+Na"	64.015768
"1727294"	303.133893	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+HCOOH"	64.039293
"1190582"	102.687418	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+3Na"	68.967654
"1663635"	308.089288	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Na+HCOOH"	68.994688
"166242"	555.10824	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+2K-H"	76.91904
"604708"	794.20284	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+2K-H"	76.91904
"1092503"	316.01364	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2K-H"	76.91904
"146038"	278.057758	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"2M+2K"	77.926316
"585597"	397.605058	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"3M+2K"	77.926316
"1072293"	158.510458	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2K"	77.926316
"1103316"	318.028192	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2K+H"	78.933592
"1341893"	318.115807	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+DMSO+H"	79.021207
"1009333"	322.154976	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+H"	83.060376
"1528554"	323.148608	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+Na+H"	84.054008
"999374"	161.581126	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+2H"	84.067652
"1587683"	324.063228	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+K+HCOOH"	84.968628
"1417350"	354.094738	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+H+CF3COOH"	115.000138
"1149098"	182.094401	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+3ACN+2H"	125.094202
"1702661"	371.121285	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+CF3COOH"	132.026685
"1637220"	376.07668	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+Na+CF3COOH"	136.98208
"1571898"	392.05062	"C14481"	"1-Hydroxy-2-acetamidofluorene;1-Hydroxy-N-2-fluorenylacetamide;N-(1-Hydroxyfluoren-2-yl)-acetamide"	"C15H13NO2"	"239.0946"	"M+K+CF3COOH"	152.95602
"811983"	302.261	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M"	0
"982236"	283.24261	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-H2O-H"	-19.01839
"68291"	200.500057333333	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M-3H"	-3.021828
"508943"	301.253724	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M-3H"	-3.021828
"886745"	99.7463906666667	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-3H"	-3.021828
"4231"	301.253724	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M-2H"	-2.014552
"447074"	452.384224	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M-2H"	-2.014552
"822690"	150.123224	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-2H"	-2.014552
"82681"	603.514724	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M-H"	-1.007276
"519809"	905.775724	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M-H"	-1.007276
"903325"	301.253724	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-H"	-1.007276
"52232"	620.541271	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M-2H+NH4"	16.019271
"489605"	922.802271	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M-2H+NH4"	16.019271
"870686"	318.280271	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-2H+NH4"	16.019271
"35306"	625.496666	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M-2H+Na"	20.974666
"479240"	927.757666	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M-2H+Na"	20.974666
"859231"	323.235666	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-2H+Na"	20.974666
"1627670"	323.235666	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Na-2H"	20.974666
"97639"	319.242063	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M-H+Cl"	33.962126
"535374"	470.372563	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M-H+Cl"	33.962126
"928524"	168.111563	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-H+Cl"	33.962126
"275832"	639.491402	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+Cl"	34.969402
"664973"	941.752402	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+Cl"	34.969402
"1283575"	337.230402	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Cl"	34.969402
"24316"	641.470606	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M-2H+K"	36.948606
"470439"	943.731606	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M-2H+K"	36.948606
"847150"	339.209606	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-2H+K"	36.948606
"1569177"	339.209606	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+K-2H"	36.948606
"956330"	347.259194	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-H+HCOOH"	44.998194
"376005"	649.520201	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+HCOOH-H"	44.998201
"356242"	663.535851	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+Hac-H"	59.013851
"1506536"	361.274851	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Hac-H"	59.013851
"969336"	369.241151	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-H+NaCOOH"	66.980151
"120067"	337.230402	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+2Cl"	69.938804
"562910"	488.360902	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+2Cl"	69.938804
"1032071"	186.099902	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2Cl"	69.938804
"1254199"	381.179885	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Br"	78.918885
"1317375"	383.235872	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Cl+HCOOH"	80.974872
"1327223"	405.217829	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Cl+NaCOOH"	102.956829
"918279"	415.246586	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M-H+CF3COOH"	112.985586
"1294988"	451.223264	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Cl+CF3COOH"	148.962264
"1377894"	267.248324	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H-2H2O"	-35.012676
"1391743"	285.2583	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H-H2O"	-17.0027
"287056"	605.529276	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+H"	1.007276
"681664"	907.790276	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+H"	1.007276
"1352547"	303.268276	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H"	1.007276
"126889"	303.268276	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+2H"	2.014552
"568277"	454.398776	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+2H"	2.014552
"1039627"	152.137776	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2H"	2.014552
"205097"	202.514609333333	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+3H"	3.021828
"645626"	303.268276	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+3H"	3.021828
"1178103"	101.760942666667	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+3H"	3.021828
"439679"	622.555823	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+NH4"	18.033823
"801240"	924.816823	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+NH4"	18.033823
"1696029"	320.294823	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+NH4"	18.033823
"344307"	311.7815495	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+H+NH4"	19.041099
"735997"	462.9120495	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+H+NH4"	19.041099
"1491640"	160.6510495	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H+NH4"	19.041099
"407403"	627.511218	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+Na"	22.989218
"768033"	929.772218	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+Na"	22.989218
"1616499"	325.250218	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Na"	22.989218
"326535"	314.259247	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+H+Na"	23.996494
"718956"	465.389747	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+H+Na"	23.996494
"1471681"	163.128747	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H+Na"	23.996494
"1063834"	109.088256666667	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2H+Na"	25.00377
"1265512"	335.294486	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+CH3OH+H"	33.033486
"388461"	643.485158	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+K"	38.963158
"750548"	945.746158	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+K"	38.963158
"1549330"	341.224158	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+K"	38.963158
"307600"	322.246217	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+H+K"	39.970434
"702936"	473.376717	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+H+K"	39.970434
"1458944"	171.115717	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H+K"	39.970434
"246814"	646.555826	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+ACN+H"	42.033826
"1218431"	344.294826	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+ACN+H"	42.033826
"1203405"	172.651051	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+ACN+2H"	43.041102
"197368"	649.49316	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+2Na-H"	44.97116
"633649"	951.75416	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+2Na-H"	44.97116
"1140433"	347.23216	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2Na-H"	44.97116
"175464"	325.250218	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+2Na"	45.978436
"615996"	476.380718	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+2Na"	45.978436
"1117798"	174.119718	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2Na"	45.978436
"1399873"	116.415570666667	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H+2Na"	46.985712
"1431869"	349.273746	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H+HCOOH"	47.012746
"222297"	330.28324	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+3H2O+2H"	56.04448
"1509628"	363.32579	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+IsoProp+H"	61.06479
"410043"	333.237188	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+Na+K"	61.952376
"771405"	484.367688	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+Na+K"	61.952376
"1666641"	182.106688	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Na+K"	61.952376
"259362"	668.537768	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+ACN+Na"	64.015768
"1238637"	366.276768	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+ACN+Na"	64.015768
"1728095"	366.300293	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+NH4+HCOOH"	64.039293
"1189598"	123.742884666667	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+3Na"	68.967654
"1659491"	371.255688	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Na+HCOOH"	68.994688
"167445"	681.44104	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+2K-H"	76.91904
"604818"	983.70204	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+2K-H"	76.91904
"1092611"	379.18004	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2K-H"	76.91904
"146148"	341.224158	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"2M+2K"	77.926316
"584614"	492.354658	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"3M+2K"	77.926316
"1072406"	190.093658	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2K"	77.926316
"1103791"	381.194592	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2K+H"	78.933592
"1338723"	381.282207	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+DMSO+H"	79.021207
"1011626"	385.321376	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2ACN+H"	83.060376
"1526475"	386.315008	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+IsoProp+Na+H"	84.054008
"996205"	193.164326	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+2ACN+2H"	84.067652
"1591801"	387.229628	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+K+HCOOH"	84.968628
"1417460"	417.261138	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+H+CF3COOH"	115.000138
"1155403"	213.677601	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+3ACN+2H"	125.094202
"1702771"	434.287685	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+NH4+CF3COOH"	132.026685
"1638423"	439.24308	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+Na+CF3COOH"	136.98208
"1571887"	455.21702	"C14482"	"3beta-Hydroxypregn-5-ene;5-Pregnen-3beta-ol"	"C21H34O"	"302.261"	"M+K+CF3COOH"	152.95602
"811000"	286.1933	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M"	0
"984533"	267.17491	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H2O-H"	-19.01839
"68401"	189.788257333333	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-3H"	-3.021828
"511240"	285.186024	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-3H"	-3.021828
"887949"	94.3904906666667	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-3H"	-3.021828
"3248"	285.186024	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H"	-2.014552
"446091"	428.282674	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H"	-2.014552
"822800"	142.089374	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H"	-2.014552
"82791"	571.379324	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-H"	-1.007276
"519312"	857.572624	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-H"	-1.007276
"900155"	285.186024	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H"	-1.007276
"50155"	588.405871	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H+NH4"	16.019271
"487241"	874.599171	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H+NH4"	16.019271
"872983"	302.212571	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H+NH4"	16.019271
"38696"	593.361266	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H+Na"	20.974666
"479350"	879.554566	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H+Na"	20.974666
"851683"	307.167966	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H+Na"	20.974666
"1618707"	307.167966	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na-2H"	20.974666
"96286"	303.174363	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-H+Cl"	33.962126
"534672"	446.271013	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-H+Cl"	33.962126
"927539"	160.077713	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+Cl"	33.962126
"269381"	607.356002	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Cl"	34.969402
"665083"	893.549302	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+Cl"	34.969402
"1284049"	321.162702	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl"	34.969402
"25518"	609.335206	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H+K"	36.948606
"469820"	895.528506	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H+K"	36.948606
"848110"	323.141906	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H+K"	36.948606
"1570381"	323.141906	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K-2H"	36.948606
"957411"	331.191494	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+HCOOH"	44.998194
"373561"	617.384801	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+HCOOH-H"	44.998201
"355259"	631.400451	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Hac-H"	59.013851
"1506285"	345.207151	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Hac-H"	59.013851
"970539"	353.173451	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+NaCOOH"	66.980151
"119448"	321.162702	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2Cl"	69.938804
"563020"	464.259352	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2Cl"	69.938804
"1033274"	178.066052	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2Cl"	69.938804
"1255402"	365.112185	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Br"	78.918885
"1315297"	367.168172	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl+HCOOH"	80.974872
"1330611"	389.150129	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl+NaCOOH"	102.956829
"920577"	399.178886	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+CF3COOH"	112.985586
"1296192"	435.155564	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl+CF3COOH"	148.962264
"1374361"	251.180624	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H-2H2O"	-35.012676
"1391854"	269.1906	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H-H2O"	-17.0027
"287166"	573.393876	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H"	1.007276
"680680"	859.587176	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H"	1.007276
"1353750"	287.200576	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H"	1.007276
"126272"	287.200576	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2H"	2.014552
"566438"	430.297226	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2H"	2.014552
"1037587"	144.103926	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2H"	2.014552
"208370"	191.802809333333	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+3H"	3.021828
"647928"	287.200576	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+3H"	3.021828
"1177729"	96.4050426666667	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+3H"	3.021828
"439059"	590.420423	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+NH4"	18.033823
"801299"	876.613723	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+NH4"	18.033823
"1695656"	304.227123	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+NH4"	18.033823
"344420"	295.7138495	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H+NH4"	19.041099
"737083"	438.8104995	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H+NH4"	19.041099
"1491024"	152.6171995	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+NH4"	19.041099
"407152"	595.375818	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Na"	22.989218
"768146"	881.569118	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+Na"	22.989218
"1615153"	309.182518	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na"	22.989218
"325917"	298.191547	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H+Na"	23.996494
"720160"	441.288197	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H+Na"	23.996494
"1471794"	155.094897	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+Na"	23.996494
"1066132"	103.732356666667	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2H+Na"	25.00377
"1268904"	319.226786	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+CH3OH+H"	33.033486
"389666"	611.349758	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+K"	38.963158
"750660"	897.543058	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+K"	38.963158
"1549439"	325.156458	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K"	38.963158
"308802"	306.178517	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H+K"	39.970434
"703410"	449.275167	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H+K"	39.970434
"1458324"	163.081867	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+K"	39.970434
"245830"	614.420426	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+ACN+H"	42.033826
"1216354"	328.227126	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+ACN+H"	42.033826
"1203515"	164.617201	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+ACN+2H"	43.041102
"200759"	617.35776	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2Na-H"	44.97116
"634852"	903.55106	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2Na-H"	44.97116
"1137264"	331.16446	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2Na-H"	44.97116
"178369"	309.182518	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2Na"	45.978436
"616470"	452.279168	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2Na"	45.978436
"1119249"	166.085868	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2Na"	45.978436
"1399375"	111.059670666667	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+2Na"	46.985712
"1430885"	333.206046	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+HCOOH"	47.012746
"222407"	314.21554	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+3H2O+2H"	56.04448
"1508678"	347.25809	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+IsoProp+H"	61.06479
"409425"	317.169488	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Na+K"	61.952376
"770786"	460.266138	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+Na+K"	61.952376
"1667478"	174.072838	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na+K"	61.952376
"259472"	636.402368	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+ACN+Na"	64.015768
"1233278"	350.209068	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+ACN+Na"	64.015768
"1725448"	350.232593	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+NH4+HCOOH"	64.039293
"1187520"	118.386984666667	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+3Na"	68.967654
"1659601"	355.187988	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na+HCOOH"	68.994688
"159900"	649.30564	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2K-H"	76.91904
"602740"	935.49894	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2K-H"	76.91904
"1086160"	363.11234	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2K-H"	76.91904
"147348"	325.156458	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2K"	77.926316
"584356"	468.253108	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2K"	77.926316
"1072515"	182.059808	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2K"	77.926316
"1104631"	365.126892	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2K+H"	78.933592
"1339194"	365.214507	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+DMSO+H"	79.021207
"1009549"	369.253676	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2ACN+H"	83.060376
"1528772"	370.247308	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+IsoProp+Na+H"	84.054008
"996315"	185.130476	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2ACN+2H"	84.067652
"1591911"	371.161928	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K+HCOOH"	84.968628
"1417570"	401.193438	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+CF3COOH"	115.000138
"1155513"	205.643751	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+3ACN+2H"	125.094202
"1702881"	418.219985	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+NH4+CF3COOH"	132.026685
"1640720"	423.17538	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na+CF3COOH"	136.98208
"1575277"	439.14932	"C14483"	"17alpha-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K+CF3COOH"	152.95602
"812203"	378.1843	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M"	0
"982456"	359.16591	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-H2O-H"	-19.01839
"68511"	251.115590666667	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M-3H"	-3.021828
"511350"	377.177024	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M-3H"	-3.021828
"885872"	125.054157333333	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-3H"	-3.021828
"3358"	377.177024	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M-2H"	-2.014552
"442921"	566.269174	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M-2H"	-2.014552
"819630"	188.084874	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-2H"	-2.014552
"81808"	755.361324	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M-H"	-1.007276
"520273"	1133.545624	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M-H"	-1.007276
"895652"	377.177024	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-H"	-1.007276
"50265"	772.387871	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M-2H+NH4"	16.019271
"487385"	1150.572171	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M-2H+NH4"	16.019271
"870906"	394.203571	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-2H+NH4"	16.019271
"37712"	777.343266	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M-2H+Na"	20.974666
"479460"	1155.527566	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M-2H+Na"	20.974666
"857260"	399.158966	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-2H+Na"	20.974666
"1625700"	399.158966	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Na-2H"	20.974666
"94941"	395.165363	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M-H+Cl"	33.962126
"538511"	584.257513	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M-H+Cl"	33.962126
"932025"	206.073213	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-H+Cl"	33.962126
"276052"	791.338002	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+Cl"	34.969402
"668474"	1169.522302	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+Cl"	34.969402
"1283065"	413.153702	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Cl"	34.969402
"28546"	793.317206	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M-2H+K"	36.948606
"465920"	1171.501506	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M-2H+K"	36.948606
"847002"	415.132906	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-2H+K"	36.948606
"1570696"	415.132906	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+K-2H"	36.948606
"956914"	423.182494	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-H+HCOOH"	44.998194
"373306"	801.366801	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+HCOOH-H"	44.998201
"356462"	815.382451	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+Hac-H"	59.013851
"1502745"	437.198151	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Hac-H"	59.013851
"969922"	445.164451	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-H+NaCOOH"	66.980151
"119558"	413.153702	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+2Cl"	69.938804
"561670"	602.245852	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+2Cl"	69.938804
"1033749"	224.061552	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2Cl"	69.938804
"1254418"	457.103185	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Br"	78.918885
"1315408"	459.159172	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Cl+HCOOH"	80.974872
"1327440"	481.141129	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Cl+NaCOOH"	102.956829
"920687"	491.169886	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M-H+CF3COOH"	112.985586
"1296302"	527.146564	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Cl+CF3COOH"	148.962264
"1379208"	343.171624	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H-2H2O"	-35.012676
"1393057"	361.1816	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H-H2O"	-17.0027
"290556"	757.375876	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+H"	1.007276
"680790"	1135.560176	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+H"	1.007276
"1353860"	379.191576	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H"	1.007276
"127232"	379.191576	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+2H"	2.014552
"566303"	568.283726	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+2H"	2.014552
"1038631"	190.099426	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2H"	2.014552
"209573"	253.130142666667	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+3H"	3.021828
"648038"	379.191576	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+3H"	3.021828
"1178291"	127.068709333333	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+3H"	3.021828
"439414"	774.402423	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+NH4"	18.033823
"801185"	1152.586723	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+NH4"	18.033823
"1696132"	396.218123	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+NH4"	18.033823
"344167"	387.7048495	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+H+NH4"	19.041099
"735857"	576.7969995	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+H+NH4"	19.041099
"1491135"	198.6126995	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H+NH4"	19.041099
"407507"	779.357818	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+Na"	22.989218
"767893"	1157.542118	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+Na"	22.989218
"1614168"	401.173518	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Na"	22.989218
"325297"	390.182547	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+H+Na"	23.996494
"719541"	579.274697	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+H+Na"	23.996494
"1472999"	201.090397	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H+Na"	23.996494
"1064784"	134.396023333333	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2H+Na"	25.00377
"1269014"	411.217786	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+CH3OH+H"	33.033486
"390142"	795.331758	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+K"	38.963158
"750043"	1173.516058	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+K"	38.963158
"1547363"	417.147458	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+K"	38.963158
"306728"	398.169517	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+H+K"	39.970434
"703886"	587.261667	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+H+K"	39.970434
"1458072"	209.077367	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H+K"	39.970434
"245941"	798.402426	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+ACN+H"	42.033826
"1219743"	420.218126	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+ACN+H"	42.033826
"1205813"	210.612701	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+ACN+2H"	43.041102
"196496"	801.33976	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+2Na-H"	44.97116
"634966"	1179.52406	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+2Na-H"	44.97116
"1141751"	423.15546	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2Na-H"	44.97116
"177384"	401.173518	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+2Na"	45.978436
"619133"	590.265668	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+2Na"	45.978436
"1116439"	212.081368	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2Na"	45.978436
"1398671"	141.723337333333	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H+2Na"	46.985712
"1432818"	425.197046	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H+HCOOH"	47.012746
"222517"	406.20654	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+3H2O+2H"	56.04448
"1508520"	439.24909	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+IsoProp+H"	61.06479
"410266"	409.160488	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+Na+K"	61.952376
"770168"	598.252638	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+Na+K"	61.952376
"1666497"	220.068338	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Na+K"	61.952376
"257396"	820.384368	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+ACN+Na"	64.015768
"1234481"	442.200068	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+ACN+Na"	64.015768
"1726651"	442.223593	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+NH4+HCOOH"	64.039293
"1187630"	149.050651333333	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+3Na"	68.967654
"1659711"	447.178988	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Na+HCOOH"	68.994688
"160010"	833.28764	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+2K-H"	76.91904
"602850"	1211.47194	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+2K-H"	76.91904
"1087362"	455.10334	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2K-H"	76.91904
"145271"	417.147458	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"2M+2K"	77.926316
"585925"	606.239608	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"3M+2K"	77.926316
"1073719"	228.055308	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2K"	77.926316
"1109115"	457.117892	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2K+H"	78.933592
"1338941"	457.205507	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+DMSO+H"	79.021207
"1009659"	461.244676	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2ACN+H"	83.060376
"1527052"	462.238308	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+IsoProp+Na+H"	84.054008
"994238"	231.125976	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+2ACN+2H"	84.067652
"1590928"	463.152928	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+K+HCOOH"	84.968628
"1418775"	493.184438	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+H+CF3COOH"	115.000138
"1150155"	251.639251	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+3ACN+2H"	125.094202
"1704083"	510.210985	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+NH4+CF3COOH"	132.026685
"1640830"	515.16638	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+Na+CF3COOH"	136.98208
"1575387"	531.14032	"C14484"	"9-Fluoroprednisolone;Isoflupredone"	"C21H27FO5"	"378.1843"	"M+K+CF3COOH"	152.95602
"812313"	270.162	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M"	0
"987307"	251.14361	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-H2O-H"	-19.01839
"70809"	179.100724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M-3H"	-3.021828
"511462"	269.154724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M-3H"	-3.021828
"892545"	89.046724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-3H"	-3.021828
"5655"	269.154724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M-2H"	-2.014552
"445220"	404.235724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M-2H"	-2.014552
"821928"	134.073724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-2H"	-2.014552
"79365"	539.316724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M-H"	-1.007276
"518801"	809.478724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M-H"	-1.007276
"898548"	269.154724	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-H"	-1.007276
"49278"	556.343271	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M-2H+NH4"	16.019271
"496493"	826.505271	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M-2H+NH4"	16.019271
"871016"	286.181271	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-2H+NH4"	16.019271
"35635"	561.298666	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M-2H+Na"	20.974666
"476290"	831.460666	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M-2H+Na"	20.974666
"852996"	291.136666	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-2H+Na"	20.974666
"1622531"	291.136666	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Na-2H"	20.974666
"97967"	287.143063	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M-H+Cl"	33.962126
"534853"	422.224063	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M-H+Cl"	33.962126
"932139"	152.062063	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-H+Cl"	33.962126
"272882"	575.293402	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+Cl"	34.969402
"669677"	845.455402	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+Cl"	34.969402
"1283175"	305.131402	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Cl"	34.969402
"29750"	577.272606	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M-2H+K"	36.948606
"470405"	847.434606	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M-2H+K"	36.948606
"848172"	307.110606	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-2H+K"	36.948606
"1570236"	307.110606	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+K-2H"	36.948606
"957633"	315.160194	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-H+HCOOH"	44.998194
"375971"	585.322201	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+HCOOH-H"	44.998201
"358032"	599.337851	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+Hac-H"	59.013851
"1505770"	329.175851	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Hac-H"	59.013851
"971124"	337.142151	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-H+NaCOOH"	66.980151
"122224"	305.131402	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+2Cl"	69.938804
"558134"	440.212402	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+2Cl"	69.938804
"1031674"	170.050402	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2Cl"	69.938804
"1251976"	349.080885	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Br"	78.918885
"1313331"	351.136872	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Cl+HCOOH"	80.974872
"1326456"	373.118829	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Cl+NaCOOH"	102.956829
"918609"	383.147586	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M-H+CF3COOH"	112.985586
"1297505"	419.124264	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Cl+CF3COOH"	148.962264
"1376764"	235.149324	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H-2H2O"	-35.012676
"1389886"	253.1593	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H-H2O"	-17.0027
"284834"	541.331276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+H"	1.007276
"683086"	811.493276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+H"	1.007276
"1351531"	271.169276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H"	1.007276
"126854"	271.169276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+2H"	2.014552
"567268"	406.250276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+2H"	2.014552
"1039224"	136.088276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2H"	2.014552
"209683"	181.115276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+3H"	3.021828
"649242"	271.169276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+3H"	3.021828
"1169555"	91.061276	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+3H"	3.021828
"439523"	558.357823	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+NH4"	18.033823
"800888"	828.519823	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+NH4"	18.033823
"1692349"	288.195823	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+NH4"	18.033823
"344644"	279.6825495	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+H+NH4"	19.041099
"736698"	414.7635495	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+H+NH4"	19.041099
"1490882"	144.6015495	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H+NH4"	19.041099
"407862"	563.313218	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+Na"	22.989218
"769628"	833.475218	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+Na"	22.989218
"1615614"	293.151218	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Na"	22.989218
"326864"	282.160247	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+H+Na"	23.996494
"720988"	417.241247	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+H+Na"	23.996494
"1475172"	147.079247	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H+Na"	23.996494
"1067449"	98.38859	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2H+Na"	25.00377
"1271802"	303.195486	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+CH3OH+H"	33.033486
"390981"	579.287158	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+K"	38.963158
"752705"	849.449158	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+K"	38.963158
"1551846"	309.125158	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+K"	38.963158
"306836"	290.147217	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+H+K"	39.970434
"702537"	425.228217	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+H+K"	39.970434
"1459640"	155.066217	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H+K"	39.970434
"248239"	582.357826	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+ACN+H"	42.033826
"1218758"	312.195826	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+ACN+H"	42.033826
"1205921"	156.601551	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+ACN+2H"	43.041102
"196607"	585.29516	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+2Na-H"	44.97116
"633982"	855.45716	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+2Na-H"	44.97116
"1139673"	315.13316	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2Na-H"	44.97116
"177495"	293.151218	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+2Na"	45.978436
"619243"	428.232218	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+2Na"	45.978436
"1116062"	158.070218	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2Na"	45.978436
"1399839"	105.715904	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H+2Na"	46.985712
"1432928"	317.174746	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H+HCOOH"	47.012746
"224813"	298.18424	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+3H2O+2H"	56.04448
"1509594"	331.22679	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+IsoProp+H"	61.06479
"412562"	301.138188	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+Na+K"	61.952376
"773557"	436.219188	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+Na+K"	61.952376
"1668793"	166.057188	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Na+K"	61.952376
"258599"	604.339768	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+ACN+Na"	64.015768
"1234591"	334.177768	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+ACN+Na"	64.015768
"1725310"	334.201293	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+NH4+HCOOH"	64.039293
"1189928"	113.043218	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+3Na"	68.967654
"1654354"	339.156688	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Na+HCOOH"	68.994688
"164495"	617.24304	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+2K-H"	76.91904
"602960"	887.40504	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+2K-H"	76.91904
"1088566"	347.08104	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2K-H"	76.91904
"149756"	309.125158	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"2M+2K"	77.926316
"594783"	444.206158	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"3M+2K"	77.926316
"1077108"	174.044158	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2K"	77.926316
"1110317"	349.095592	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2K+H"	78.933592
"1343422"	349.183207	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+DMSO+H"	79.021207
"1008676"	353.222376	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2ACN+H"	83.060376
"1527891"	354.216008	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+IsoProp+Na+H"	84.054008
"995437"	177.114826	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+2ACN+2H"	84.067652
"1593226"	355.130628	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+K+HCOOH"	84.968628
"1422166"	385.162138	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+H+CF3COOH"	115.000138
"1150265"	197.628101	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+3ACN+2H"	125.094202
"1700913"	402.188685	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+NH4+CF3COOH"	132.026685
"1640938"	407.14408	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+Na+CF3COOH"	136.98208
"1582058"	423.11802	"C14485"	"17beta-Dihydroequilin"	"C18H22O2"	"270.162"	"M+K+CF3COOH"	152.95602
"809145"	410.2821	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M"	0
"979398"	391.26371	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-H2O-H"	-19.01839
"64361"	272.514124	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M-3H"	-3.021828
"511578"	409.274824	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M-3H"	-3.021828
"886098"	135.753424	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-3H"	-3.021828
"3584"	409.274824	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M-2H"	-2.014552
"447519"	614.415874	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M-2H"	-2.014552
"817908"	204.133774	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-2H"	-2.014552
"78642"	819.556924	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M-H"	-1.007276
"520612"	1229.839024	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M-H"	-1.007276
"896099"	409.274824	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-H"	-1.007276
"51573"	836.583471	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M-2H+NH4"	16.019271
"490040"	1246.865571	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M-2H+NH4"	16.019271
"867843"	426.301371	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-2H+NH4"	16.019271
"32950"	841.538866	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M-2H+Na"	20.974666
"472266"	1251.820966	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M-2H+Na"	20.974666
"850072"	431.256766	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-2H+Na"	20.974666
"1623740"	431.256766	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Na-2H"	20.974666
"102458"	427.263163	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M-H+Cl"	33.962126
"538738"	632.404213	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M-H+Cl"	33.962126
"927511"	222.122113	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-H+Cl"	33.962126
"270446"	855.533602	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+Cl"	34.969402
"666512"	1265.815702	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+Cl"	34.969402
"1287553"	445.251502	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Cl"	34.969402
"31286"	857.512806	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M-2H+K"	36.948606
"470394"	1267.794906	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M-2H+K"	36.948606
"848077"	447.230706	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-2H+K"	36.948606
"1570717"	447.230706	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+K-2H"	36.948606
"957869"	455.280294	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-H+HCOOH"	44.998194
"376208"	865.562401	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+HCOOH-H"	44.998201
"359238"	879.578051	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+Hac-H"	59.013851
"1504423"	469.295951	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Hac-H"	59.013851
"970872"	477.262251	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-H+NaCOOH"	66.980151
"121964"	445.251502	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+2Cl"	69.938804
"558244"	650.392552	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+2Cl"	69.938804
"1029228"	240.110452	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2Cl"	69.938804
"1245888"	489.200985	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Br"	78.918885
"1309066"	491.256972	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Cl+HCOOH"	80.974872
"1328026"	513.238929	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Cl+NaCOOH"	102.956829
"917991"	523.267686	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M-H+CF3COOH"	112.985586
"1295428"	559.244364	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Cl+CF3COOH"	148.962264
"1373594"	375.269424	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H-2H2O"	-35.012676
"1387809"	393.2794	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H-H2O"	-17.0027
"290777"	821.571476	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+H"	1.007276
"682106"	1231.853576	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+H"	1.007276
"1356269"	411.289376	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H"	1.007276
"131343"	411.289376	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+2H"	2.014552
"571999"	616.430426	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+2H"	2.014552
"1047364"	206.148326	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2H"	2.014552
"206514"	274.528676	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+3H"	3.021828
"659916"	411.289376	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+3H"	3.021828
"1177936"	137.767976	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+3H"	3.021828
"439023"	838.598023	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+NH4"	18.033823
"795036"	1248.880123	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+NH4"	18.033823
"1691366"	428.315923	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+NH4"	18.033823
"344385"	419.8026495	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+H+NH4"	19.041099
"736440"	624.9436995	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+H+NH4"	19.041099
"1488074"	214.6615995	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H+NH4"	19.041099
"403472"	843.553418	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+Na"	22.989218
"765561"	1253.835518	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+Na"	22.989218
"1616939"	433.271318	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Na"	22.989218
"328927"	422.280347	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+H+Na"	23.996494
"721222"	627.421397	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+H+Na"	23.996494
"1476623"	217.139297	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H+Na"	23.996494
"1067922"	145.09529	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2H+Na"	25.00377
"1272476"	443.315586	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+CH3OH+H"	33.033486
"391821"	859.527358	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+K"	38.963158
"754038"	1269.809458	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+K"	38.963158
"1550860"	449.245258	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+K"	38.963158
"303663"	430.267317	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+H+K"	39.970434
"702643"	635.408367	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+H+K"	39.970434
"1455372"	225.126267	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H+K"	39.970434
"245066"	862.598026	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+ACN+H"	42.033826
"1214497"	452.315926	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+ACN+H"	42.033826
"1197286"	226.661601	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+ACN+2H"	43.041102
"192342"	865.53536	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+2Na-H"	44.97116
"629718"	1275.81746	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+2Na-H"	44.97116
"1131843"	455.25326	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2Na-H"	44.97116
"174811"	433.271318	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+2Na"	45.978436
"614613"	638.412368	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+2Na"	45.978436
"1117392"	228.130268	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2Na"	45.978436
"1400070"	152.422604	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H+2Na"	46.985712
"1430726"	457.294846	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H+HCOOH"	47.012746
"221641"	438.30434	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+3H2O+2H"	56.04448
"1511888"	471.34689	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+IsoProp+H"	61.06479
"411577"	441.258288	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+Na+K"	61.952376
"773668"	646.399338	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+Na+K"	61.952376
"1667813"	236.117238	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Na+K"	61.952376
"256524"	884.579968	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+ACN+Na"	64.015768
"1229234"	474.297868	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+ACN+Na"	64.015768
"1725779"	474.321393	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+NH4+HCOOH"	64.039293
"1184571"	159.749918	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+3Na"	68.967654
"1652277"	479.276788	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Na+HCOOH"	68.994688
"160232"	897.48324	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+2K-H"	76.91904
"605258"	1307.76534	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+2K-H"	76.91904
"1091958"	487.20114	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2K-H"	76.91904
"143307"	449.245258	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"2M+2K"	77.926316
"588335"	654.386308	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"3M+2K"	77.926316
"1071755"	244.104208	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2K"	77.926316
"1108245"	489.215692	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2K+H"	78.933592
"1341349"	489.303307	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+DMSO+H"	79.021207
"1009878"	493.342476	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2ACN+H"	83.060376
"1529099"	494.336108	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+IsoProp+Na+H"	84.054008
"990685"	247.174876	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+2ACN+2H"	84.067652
"1587497"	495.250728	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+K+HCOOH"	84.968628
"1420087"	525.282238	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+H+CF3COOH"	115.000138
"1152564"	267.688151	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+3ACN+2H"	125.094202
"1698833"	542.308785	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+NH4+CF3COOH"	132.026685
"1635943"	547.26418	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+Na+CF3COOH"	136.98208
"1582168"	563.23812	"C14486"	"Norethindrone enanthate;Norethisterone enanthate;17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one"	"C27H38O3"	"410.2821"	"M+K+CF3COOH"	152.95602
"805973"	312.2089	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M"	0
"977319"	293.19051	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"63378"	207.131990666667	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"509501"	311.201624	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"888394"	103.062357333333	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"2966"	311.201624	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"444349"	467.306074	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"818133"	155.097174	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"78974"	623.410524	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"520600"	935.619424	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"897064"	311.201624	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"49616"	640.437071	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"489419"	952.645971	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"866131"	328.228171	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"34392"	645.392466	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"473229"	957.601366	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"849329"	333.183566	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1619716"	333.183566	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"96003"	329.189963	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"538845"	485.294413	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"935641"	173.085513	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"270188"	659.387202	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"663341"	971.596102	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1288026"	347.178302	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"26690"	661.366406	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"471239"	973.575306	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"848062"	349.157506	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1564622"	349.157506	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"957859"	357.207094	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"375098"	669.416001	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"360928"	683.431651	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1505993"	371.222751	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"969523"	379.189051	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"122075"	347.178302	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"560539"	503.282752	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1032618"	191.073852	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1245998"	391.127785	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1309176"	393.183772	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1327773"	415.165729	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"921017"	425.194486	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1297725"	461.171164	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1373704"	277.196224	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1387920"	295.2062	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"291980"	625.425076	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"679663"	937.633976	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1353094"	313.216176	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"126095"	313.216176	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"566754"	469.320626	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1037860"	157.111726	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"208807"	209.146542666667	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"647277"	313.216176	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1171966"	105.076909333333	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"438769"	642.451623	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"798425"	954.660523	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1694393"	330.242723	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"341942"	321.7294495	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"734363"	477.8338995	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1491708"	165.6249995	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"407593"	647.407018	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"760202"	959.615918	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1615953"	335.198118	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"327084"	324.207147	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"719505"	480.311597	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1471142"	168.102697	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1066575"	112.404223333333	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1269350"	345.242386	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"391202"	663.380958	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"752199"	975.589858	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1549879"	351.172058	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"305961"	332.194117	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"699473"	488.298567	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1455484"	176.089667	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"241168"	666.451626	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1214608"	354.242726	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1197397"	177.625001	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"190385"	669.38896	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"630070"	981.59786	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1133456"	357.18006	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"174069"	335.198118	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"614110"	491.302568	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1116771"	179.093668	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1399078"	119.731537333333	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1430507"	359.221646	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"220774"	340.23114	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1509931"	373.27369	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"409618"	343.185088	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"774871"	499.289538	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1669014"	187.080638	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"261007"	688.433568	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1232623"	376.224668	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1726618"	376.248193	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1181401"	127.058851333333	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1653479"	381.203588	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"159248"	701.33684	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"602087"	1013.54574	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1094254"	389.12794	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"145603"	351.172058	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"587351"	507.276508	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1072593"	195.067608	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1108355"	391.142492	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1341459"	391.230107	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1009988"	395.269276	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1527019"	396.262908	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"990795"	198.138276	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1587608"	397.177528	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1419104"	427.209038	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1151578"	218.651551	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1700036"	444.235585	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1634960"	449.19098	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1582278"	465.16492	"C14487"	"Ethisterone;17alpha-Ethinyl testosterone;Progestolets;17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"814831"	332.2152	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M"	0
"988369"	313.19681	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-H2O-H"	-19.01839
"74425"	220.469524	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M-3H"	-3.021828
"512891"	331.207924	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M-3H"	-3.021828
"884132"	109.731124	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-3H"	-3.021828
"3806"	331.207924	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M-2H"	-2.014552
"443365"	497.315524	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M-2H"	-2.014552
"818128"	165.100324	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-2H"	-2.014552
"78967"	663.423124	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M-H"	-1.007276
"519981"	995.638324	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M-H"	-1.007276
"896202"	331.207924	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-H"	-1.007276
"47581"	680.449671	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M-2H+NH4"	16.019271
"489169"	1012.664871	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M-2H+NH4"	16.019271
"865511"	348.234471	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-2H+NH4"	16.019271
"32441"	685.405066	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M-2H+Na"	20.974666
"472001"	1017.620266	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M-2H+Na"	20.974666
"850292"	353.189866	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-2H+Na"	20.974666
"1619704"	353.189866	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Na-2H"	20.974666
"96116"	349.196263	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M-H+Cl"	33.962126
"535918"	515.303863	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M-H+Cl"	33.962126
"935751"	183.088663	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-H+Cl"	33.962126
"271391"	699.399802	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+Cl"	34.969402
"665638"	1031.615002	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+Cl"	34.969402
"1280233"	367.184602	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Cl"	34.969402
"31355"	701.379006	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M-2H+K"	36.948606
"471107"	1033.594206	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M-2H+K"	36.948606
"845621"	369.163806	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-2H+K"	36.948606
"1571021"	369.163806	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+K-2H"	36.948606
"956999"	377.213394	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-H+HCOOH"	44.998194
"375574"	709.428601	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+HCOOH-H"	44.998201
"361001"	723.444251	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+Hac-H"	59.013851
"1503186"	391.229051	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Hac-H"	59.013851
"969998"	399.195351	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-H+NaCOOH"	66.980151
"117811"	367.184602	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+2Cl"	69.938804
"558462"	533.292202	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+2Cl"	69.938804
"1029448"	201.077002	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2Cl"	69.938804
"1246108"	411.134085	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Br"	78.918885
"1311476"	413.190072	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Cl+HCOOH"	80.974872
"1324599"	435.172029	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Cl+NaCOOH"	102.956829
"918937"	445.200786	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M-H+CF3COOH"	112.985586
"1290902"	481.177464	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Cl+CF3COOH"	148.962264
"1380013"	297.202524	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H-2H2O"	-35.012676
"1396779"	315.2125	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H-H2O"	-17.0027
"296467"	665.437676	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+H"	1.007276
"688888"	997.652876	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+H"	1.007276
"1358675"	333.222476	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H"	1.007276
"129377"	333.222476	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+2H"	2.014552
"568938"	499.330076	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+2H"	2.014552
"1044300"	167.114876	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2H"	2.014552
"208920"	222.484076	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+3H"	3.021828
"655044"	333.222476	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+3H"	3.021828
"1177800"	111.745676	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+3H"	3.021828
"439655"	682.464223	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+NH4"	18.033823
"798537"	1014.679423	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+NH4"	18.033823
"1692678"	350.249023	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+NH4"	18.033823
"339865"	341.7357495	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+H+NH4"	19.041099
"736293"	507.8433495	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+H+NH4"	19.041099
"1490478"	175.6281495	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H+NH4"	19.041099
"404785"	687.419618	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+Na"	22.989218
"764686"	1019.634818	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+Na"	22.989218
"1616063"	355.204418	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Na"	22.989218
"327193"	344.213447	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+H+Na"	23.996494
"720587"	510.321047	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+H+Na"	23.996494
"1474533"	178.105847	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H+Na"	23.996494
"1066685"	119.07299	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2H+Na"	25.00377
"1271643"	365.248686	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+CH3OH+H"	33.033486
"392043"	703.393558	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+K"	38.963158
"751218"	1035.608758	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+K"	38.963158
"1552176"	371.178358	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+K"	38.963158
"310445"	352.200417	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+H+K"	39.970434
"702867"	518.308017	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+H+K"	39.970434
"1453407"	186.092817	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H+K"	39.970434
"243104"	706.464226	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+ACN+H"	42.033826
"1213625"	374.249026	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+ACN+H"	42.033826
"1199695"	187.628151	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+ACN+2H"	43.041102
"191473"	709.40156	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+2Na-H"	44.97116
"634313"	1041.61676	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+2Na-H"	44.97116
"1132473"	377.18636	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2Na-H"	44.97116
"173817"	355.204418	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+2Na"	45.978436
"612942"	521.312018	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+2Na"	45.978436
"1115720"	189.096818	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2Na"	45.978436
"1398580"	126.400304	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H+2Na"	46.985712
"1430455"	379.227946	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H+HCOOH"	47.012746
"222225"	360.23744	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+3H2O+2H"	56.04448
"1511380"	393.27999	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+IsoProp+H"	61.06479
"412892"	363.191388	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+Na+K"	61.952376
"776077"	529.298988	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+Na+K"	61.952376
"1670220"	197.083788	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Na+K"	61.952376
"257836"	728.446168	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+ACN+Na"	64.015768
"1232733"	396.230968	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+ACN+Na"	64.015768
"1725997"	396.254493	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+NH4+HCOOH"	64.039293
"1189165"	133.727618	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+3Na"	68.967654
"1661245"	401.209888	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Na+HCOOH"	68.994688
"160450"	741.34944	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+2K-H"	76.91904
"602198"	1073.56464	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+2K-H"	76.91904
"1091085"	409.13424	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2K-H"	76.91904
"148995"	371.178358	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"2M+2K"	77.926316
"584907"	537.285958	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"3M+2K"	77.926316
"1071246"	205.070758	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2K"	77.926316
"1105184"	411.148792	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2K+H"	78.933592
"1342663"	411.236407	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+DMSO+H"	79.021207
"1009005"	415.275576	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2ACN+H"	83.060376
"1527128"	416.269208	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+IsoProp+Na+H"	84.054008
"993579"	208.141426	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+2ACN+2H"	84.067652
"1589180"	417.183828	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+K+HCOOH"	84.968628
"1424683"	447.215338	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+H+CF3COOH"	115.000138
"1152784"	228.654701	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+3ACN+2H"	125.094202
"1701243"	464.241885	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+NH4+CF3COOH"	132.026685
"1641268"	469.19728	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+Na+CF3COOH"	136.98208
"1582388"	485.17122	"C14488"	"21-Fluoroprogesterone;21-Fluoropregn-4-ene-320-dione"	"C21H29FO2"	"332.2152"	"M+K+CF3COOH"	152.95602
"809473"	300.2089	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M"	0
"983006"	281.19051	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"77448"	199.131990666667	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"515188"	299.201624	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"887522"	99.0623573333333	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"5007"	299.201624	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"440556"	449.306074	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"818718"	149.097174	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"79116"	599.410524	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"519726"	899.619424	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"896556"	299.201624	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"48987"	616.437071	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"488308"	916.645971	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"866715"	316.228171	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"32103"	621.392466	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"471582"	921.601366	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"848815"	321.183566	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1619687"	321.183566	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"95855"	317.189963	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"535782"	467.294413	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"932581"	167.085513	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"271865"	635.387202	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"662100"	935.596102	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1281437"	335.178302	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"26181"	637.366406	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"464647"	937.575306	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"838439"	337.157506	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1570802"	337.157506	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"955279"	345.207094	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"373860"	645.416001	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"353734"	659.431651	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1507913"	359.222751	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"969014"	367.189051	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"119013"	335.178302	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"557479"	485.282752	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1027370"	185.073852	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1246218"	379.127785	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1311950"	381.183772	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1322153"	403.165729	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"914304"	413.194486	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1291012"	449.171164	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1380123"	265.196224	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1397984"	283.2062	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"295484"	601.425076	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"685718"	901.633976	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1356598"	301.216176	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"129487"	301.216176	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"570141"	451.320626	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1044410"	151.111726	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"212310"	201.146542666667	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"656246"	301.216176	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1176931"	101.076909333333	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"439603"	618.451623	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"798646"	918.660523	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1693881"	318.242723	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"338882"	309.7294495	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"735673"	459.8338995	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1490588"	159.6249995	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"405986"	623.407018	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"763702"	923.615918	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1616173"	323.198118	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"327303"	312.207147	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"719724"	462.311597	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1474644"	162.102697	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1065702"	108.404223333333	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1269565"	333.242386	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"391060"	639.380958	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"752057"	939.589858	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1547911"	339.172058	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"307275"	320.194117	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"698602"	470.298567	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1455704"	170.089667	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"242120"	642.451626	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1213735"	342.242726	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1200898"	171.625001	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"190854"	645.38896	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"631143"	945.59786	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1131528"	345.18006	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"174290"	323.198118	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"613487"	473.302568	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1116630"	173.093668	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1398645"	115.731537333333	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1429915"	347.221646	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"220876"	328.23114	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1509303"	361.27369	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"413366"	331.185088	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"777281"	481.289538	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1668508"	181.080638	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"253567"	664.433568	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1227739"	364.224668	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1727200"	364.248193	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1188182"	123.058851333333	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1661355"	369.203588	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"160559"	677.33684	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"601215"	977.54574	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1087183"	377.12794	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"144728"	339.172058	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"584653"	489.276508	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1071717"	189.067608	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1102740"	379.142492	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1342773"	379.230107	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1008021"	383.269276	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1526509"	384.262908	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"992959"	192.138276	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1590384"	385.177528	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1425886"	415.209038	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1156174"	212.651551	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1701353"	432.235585	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1641378"	437.19098	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1582498"	453.16492	"C14489"	"19-Norprogesterone;19-Norpregn-4-ene-320-dione"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"809583"	302.2246	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M"	0
"979836"	283.20621	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"76828"	200.475790666667	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"515298"	301.217324	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"890912"	99.7342573333333	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"4023"	301.217324	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"440545"	452.329624	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"819071"	150.105024	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"79547"	603.441924	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"518782"	905.666524	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"895760"	301.217324	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"47396"	620.468471	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"490483"	922.693071	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"865004"	318.243871	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"31687"	625.423866	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"471440"	927.648466	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"848542"	323.199266	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1618550"	323.199266	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"94708"	319.205663	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"534918"	470.317963	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"932691"	168.093363	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"272340"	639.418602	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"660466"	941.643202	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1281547"	337.194002	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"23011"	641.397806	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"462570"	943.622406	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"840371"	339.173206	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1564954"	339.173206	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"954296"	347.222794	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"368866"	649.447401	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"351655"	663.463051	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1495746"	361.238451	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"965845"	369.204751	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"119123"	337.194002	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"555764"	488.306302	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1027116"	186.081702	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1246328"	381.143485	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1311696"	383.199472	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1321048"	405.181429	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"913199"	415.210186	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1290636"	451.186864	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1377317"	267.211924	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1398096"	285.2219	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"295594"	605.456476	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"684734"	907.681076	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1355615"	303.231876	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"128138"	303.231876	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"569158"	454.344176	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1044520"	152.119576	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"209139"	202.490342666667	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"653077"	303.231876	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1177768"	101.748809333333	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"439835"	622.483023	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"798392"	924.707623	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1690713"	320.258423	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"342271"	311.7451495	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"733599"	462.8574495	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1489605"	160.6328495	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"405003"	627.438418	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"762718"	929.663018	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1615190"	325.213818	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"328144"	314.222847	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"718742"	465.335147	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1470377"	163.110547	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1065812"	109.076123333333	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1265299"	335.258086	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"387157"	643.412358	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"752168"	945.636958	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1544742"	341.187758	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"305200"	322.209817	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"696527"	473.322117	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1453627"	171.097517	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"237857"	646.483026	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1217126"	344.258426	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1198822"	172.632851	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"194973"	649.42036	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"628859"	951.64496	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1131921"	347.19576	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"174399"	325.213818	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"613595"	476.326118	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1115925"	174.101518	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1398716"	116.403437333333	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1430185"	349.237346	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"220988"	330.24684	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1512331"	363.28939	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"413476"	333.200788	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"777391"	484.313088	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1668254"	182.088488	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"256962"	668.464968	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1229670"	366.240368	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1726217"	366.263893	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1189385"	123.730751333333	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1661465"	371.219288	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"159212"	681.36824	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"601325"	983.59284	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1087294"	379.14364	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"144109"	341.187758	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"585494"	492.300058	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1071463"	190.075458	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1102487"	381.158192	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1339603"	381.245807	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1008128"	385.284976	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1525764"	386.278608	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"991733"	193.146126	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1591588"	387.193228	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1425996"	417.224738	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1156284"	213.659401	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1701463"	434.251285	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1641488"	439.20668	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1582608"	455.18062	"C14490"	"Stenbolone;17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"806413"	288.2089	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M"	0
"979946"	269.19051	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"76938"	191.131990666667	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"515408"	287.201624	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"891022"	95.0623573333333	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"5228"	287.201624	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"442601"	431.306074	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"819669"	143.097174	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"79900"	575.410524	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"520191"	863.619424	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"897021"	287.201624	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"49088"	592.437071	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"490593"	880.645971	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"865235"	304.228171	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"33127"	597.392466	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"472000"	885.601366	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"848953"	309.183566	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1618653"	309.183566	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"96442"	305.189963	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"535271"	449.294413	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"932801"	161.085513	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"271357"	611.387202	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"660862"	899.596102	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1274364"	323.178302	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"21294"	613.366406	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"461219"	901.575306	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"838655"	325.157506	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1566157"	325.157506	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"950758"	333.207094	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"367881"	621.416001	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"350306"	635.431651	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1495856"	347.222751	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"965954"	355.189051	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"117046"	323.178302	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"555146"	467.282752	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1027226"	179.073852	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1247534"	367.127785	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1308889"	369.183772	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1320552"	391.165729	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"913068"	401.194486	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1289776"	437.171164	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1377427"	253.196224	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1397720"	271.2062	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"292423"	577.425076	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"679377"	865.633976	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1356816"	289.216176	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"131894"	289.216176	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"573643"	433.320626	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1043534"	145.111726	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"209250"	193.146542666667	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"654280"	289.216176	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1178247"	97.0769093333333	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"439212"	594.451623	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"800324"	882.660523	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1694102"	306.242723	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"341288"	297.7294495	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"733709"	441.8338995	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1492233"	153.6249995	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"408034"	599.407018	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"768296"	887.615918	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1617612"	311.198118	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"328616"	300.207147	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"716666"	444.311597	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1472673"	156.102697	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1065920"	104.404223333333	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1267597"	321.242386	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"387268"	615.380958	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"753616"	903.589858	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1550319"	327.172058	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"307496"	308.194117	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"701013"	452.298567	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1457019"	164.089667	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"244529"	618.451626	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1218329"	330.242726	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1200025"	165.625001	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"192896"	621.38896	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"632822"	909.59786	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1137057"	333.18006	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"173821"	311.198118	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"616626"	455.302568	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1116485"	167.093668	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1399031"	111.731537333333	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1430094"	335.221646	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"221827"	316.23114	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1509035"	349.27369	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"417598"	319.185088	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"777500"	463.289538	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1677112"	175.080638	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"261447"	640.433568	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1233063"	352.224668	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1724138"	352.248193	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1188402"	119.058851333333	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1656109"	357.203588	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"161875"	653.33684	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"601436"	941.54574	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1089228"	365.12794	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"150418"	327.172058	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"583415"	471.276508	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1071211"	183.067608	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1102236"	367.142492	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1337527"	367.230107	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1008243"	371.269276	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1526370"	372.262908	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"990262"	186.138276	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1591698"	373.177528	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1415534"	403.209038	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1153114"	206.651551	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1698656"	420.235585	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1641598"	425.19098	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1582718"	441.16492	"C14491"	"Normethandrolone;Methylestrenolone;17alpha-Methyl-19-nortestosterone;Normethandrone"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"807616"	349.0896	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M"	0
"981149"	330.07121	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-H2O-H"	-19.01839
"70484"	231.719124	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M-3H"	-3.021828
"515514"	348.082324	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M-3H"	-3.021828
"892226"	115.355924	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-3H"	-3.021828
"2058"	348.082324	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M-2H"	-2.014552
"444895"	522.627124	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M-2H"	-2.014552
"820508"	173.537524	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-2H"	-2.014552
"81956"	697.171924	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M-H"	-1.007276
"519815"	1046.261524	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M-H"	-1.007276
"897133"	348.082324	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-H"	-1.007276
"50049"	714.198471	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M-2H+NH4"	16.019271
"488758"	1063.288071	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M-2H+NH4"	16.019271
"866438"	365.108871	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-2H+NH4"	16.019271
"31904"	719.153866	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M-2H+Na"	20.974666
"471708"	1068.243466	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M-2H+Na"	20.974666
"849261"	370.064266	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-2H+Na"	20.974666
"1618803"	370.064266	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Na-2H"	20.974666
"96552"	366.070663	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M-H+Cl"	33.962126
"535015"	540.615463	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M-H+Cl"	33.962126
"934004"	191.525863	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-H+Cl"	33.962126
"272560"	733.148602	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+Cl"	34.969402
"662065"	1082.238202	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+Cl"	34.969402
"1278848"	384.059002	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Cl"	34.969402
"21403"	735.127806	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M-2H+K"	36.948606
"464975"	1084.217406	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M-2H+K"	36.948606
"841317"	386.038206	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-2H+K"	36.948606
"1568453"	386.038206	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+K-2H"	36.948606
"952691"	394.087794	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-H+HCOOH"	44.998194
"371271"	743.177401	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+HCOOH-H"	44.998201
"351874"	757.193051	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+Hac-H"	59.013851
"1497424"	408.103451	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Hac-H"	59.013851
"966064"	416.069751	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-H+NaCOOH"	66.980151
"120071"	384.059002	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+2Cl"	69.938804
"555622"	558.603802	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+2Cl"	69.938804
"1027701"	209.514202	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2Cl"	69.938804
"1247280"	428.008485	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Br"	78.918885
"1309363"	430.064472	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Cl+HCOOH"	80.974872
"1320418"	452.046429	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Cl+NaCOOH"	102.956829
"913178"	462.075186	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M-H+CF3COOH"	112.985586
"1289522"	498.051864	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Cl+CF3COOH"	148.962264
"1375348"	314.076924	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H-2H2O"	-35.012676
"1398310"	332.0869	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H-H2O"	-17.0027
"293625"	699.186476	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+H"	1.007276
"688235"	1048.276076	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+H"	1.007276
"1354011"	350.096876	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H"	1.007276
"130910"	350.096876	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+2H"	2.014552
"577033"	524.641676	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+2H"	2.014552
"1046923"	175.552076	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2H"	2.014552
"211546"	233.733676	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+3H"	3.021828
"655483"	350.096876	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+3H"	3.021828
"1176536"	117.370476	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+3H"	3.021828
"438715"	716.213023	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+NH4"	18.033823
"800190"	1065.302623	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+NH4"	18.033823
"1696403"	367.123423	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+NH4"	18.033823
"345046"	358.6101495	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+H+NH4"	19.041099
"735278"	533.1549495	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+H+NH4"	19.041099
"1492665"	184.0653495	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H+NH4"	19.041099
"408447"	721.168418	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+Na"	22.989218
"766219"	1070.258018	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+Na"	22.989218
"1617597"	372.078818	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Na"	22.989218
"328363"	361.087847	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+H+Na"	23.996494
"715682"	535.632647	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+H+Na"	23.996494
"1472783"	186.543047	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H+Na"	23.996494
"1063843"	124.69779	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2H+Na"	25.00377
"1267706"	382.123086	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+CH3OH+H"	33.033486
"388473"	737.142358	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+K"	38.963158
"747281"	1086.231958	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+K"	38.963158
"1550429"	388.052758	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+K"	38.963158
"307605"	369.074817	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+H+K"	39.970434
"704038"	543.619617	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+H+K"	39.970434
"1454943"	194.530017	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H+K"	39.970434
"246823"	740.213026	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+ACN+H"	42.033826
"1219532"	391.123426	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+ACN+H"	42.033826
"1202320"	196.065351	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+ACN+2H"	43.041102
"190817"	743.15036	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+2Na-H"	44.97116
"633660"	1092.23996	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+2Na-H"	44.97116
"1132062"	394.06076	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2Na-H"	44.97116
"176081"	372.078818	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+2Na"	45.978436
"614790"	546.623618	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+2Na"	45.978436
"1116104"	197.534018	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2Na"	45.978436
"1398655"	132.025104	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H+2Na"	46.985712
"1430528"	396.102346	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H+HCOOH"	47.012746
"220597"	377.11184	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+3H2O+2H"	56.04448
"1509024"	410.15439	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+IsoProp+H"	61.06479
"417707"	380.065788	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+Na+K"	61.952376
"776517"	554.610588	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+Na+K"	61.952376
"1677222"	205.520988	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Na+K"	61.952376
"260462"	762.194968	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+ACN+Na"	64.015768
"1233173"	413.105368	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+ACN+Na"	64.015768
"1720968"	413.128893	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+NH4+HCOOH"	64.039293
"1188512"	139.352418	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+3Na"	68.967654
"1660594"	418.084288	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Na+HCOOH"	68.994688
"165265"	775.09824	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+2K-H"	76.91904
"607013"	1124.18784	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+2K-H"	76.91904
"1088243"	426.00864	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2K-H"	76.91904
"145789"	388.052758	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"2M+2K"	77.926316
"584619"	562.597558	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"3M+2K"	77.926316
"1073508"	213.507958	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2K"	77.926316
"1107813"	428.023192	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2K+H"	78.933592
"1338730"	428.110807	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+DMSO+H"	79.021207
"1010539"	432.149976	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2ACN+H"	83.060376
"1526600"	433.143608	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+IsoProp+Na+H"	84.054008
"990858"	216.578626	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+2ACN+2H"	84.067652
"1595089"	434.058228	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+K+HCOOH"	84.968628
"1420747"	464.089738	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+H+CF3COOH"	115.000138
"1151401"	237.091901	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+3ACN+2H"	125.094202
"1700589"	481.116285	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+NH4+CF3COOH"	132.026685
"1641708"	486.07168	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+Na+CF3COOH"	136.98208
"1582828"	502.04562	"C14492"	"Ulifloxacin;NM 394"	"C16H16FN3O3S"	"349.0896"	"M+K+CF3COOH"	152.95602
"806633"	304.2402	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M"	0
"977250"	285.22181	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"69501"	201.819524	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"513437"	303.232924	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"892336"	100.406124	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"2168"	303.232924	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"443912"	455.353024	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"818432"	151.112824	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"79879"	607.473124	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"520535"	911.713324	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"896877"	303.232924	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"51252"	624.499671	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"488868"	928.739871	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"866427"	320.259471	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"31628"	629.455066	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"471391"	933.695266	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"848598"	325.214866	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1618497"	325.214866	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"97756"	321.221263	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"537315"	473.341363	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"934115"	169.101163	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"273764"	643.449802	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"663999"	947.690002	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1278595"	339.209602	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"18962"	645.429006	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"466178"	949.669206	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"839605"	341.188806	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1568563"	341.188806	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"953165"	349.238394	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"370287"	653.478601	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"347973"	667.494251	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1496442"	363.254051	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"965080"	371.220351	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"118358"	339.209602	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"554272"	491.329702	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1027811"	187.089502	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1247390"	383.159085	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1309109"	385.215072	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1321500"	407.197029	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"912559"	417.225786	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1289632"	453.202464	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1371084"	269.227524	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1387487"	287.2375	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"293735"	609.487676	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"687249"	913.727876	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1353759"	305.247476	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"128834"	305.247476	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"573862"	457.367576	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1043754"	153.127376	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"211656"	203.834076	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"655593"	305.247476	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1177861"	102.420676	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"439676"	626.514223	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"799815"	930.754423	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1696512"	322.274023	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"344670"	313.7607495	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"735024"	465.8808495	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1492661"	161.6406495	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"406794"	631.469618	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"767423"	935.709818	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1616612"	327.229418	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"327379"	316.238447	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"715792"	468.358547	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1472893"	164.118347	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1065046"	109.74799	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1266723"	337.273686	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"388583"	647.443558	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"747391"	951.683758	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1550540"	343.203358	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"306623"	324.225417	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"699045"	476.345517	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1452866"	172.105317	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"244747"	650.514226	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1218549"	346.274026	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1202433"	173.640651	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"198581"	653.45156	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"632675"	957.69176	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1137275"	349.21136	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"177284"	327.229418	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"616845"	479.349518	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1118406"	175.109318	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1399134"	117.075304	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1430356"	351.252946	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"221316"	332.26244	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1508723"	365.30499	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"417817"	335.216388	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"776626"	487.336488	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1672957"	183.096288	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"258385"	672.496168	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1232190"	368.255968	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1721078"	368.279493	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1188622"	124.402618	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1660703"	373.234888	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"165375"	685.39944	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"607123"	989.63964	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1087989"	381.15924	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"144806"	343.203358	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"584729"	495.323458	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1072525"	191.083258	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1107923"	383.173792	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1338840"	383.261407	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1010649"	387.300576	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1526589"	388.294208	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"991332"	194.153926	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1594105"	389.208828	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1420857"	419.240338	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1153334"	214.667201	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1703979"	436.266885	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1641818"	441.22228	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1582938"	457.19622	"C14493"	"Methandriol;Protandren"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"806743"	169.0294	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M"	0
"986837"	150.01101	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-H2O-H"	-19.01839
"73986"	111.678990666667	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M-3H"	-3.021828
"513547"	168.022124	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M-3H"	-3.021828
"893540"	55.3358573333333	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-3H"	-3.021828
"1547"	168.022124	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M-2H"	-2.014552
"440128"	252.536824	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M-2H"	-2.014552
"820727"	83.507424	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-2H"	-2.014552
"81815"	337.051524	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M-H"	-1.007276
"524655"	506.080924	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M-H"	-1.007276
"898083"	168.022124	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-H"	-1.007276
"53549"	354.078071	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M-2H+NH4"	16.019271
"490923"	523.107471	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M-2H+NH4"	16.019271
"866537"	185.048671	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-2H+NH4"	16.019271
"31428"	359.033466	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M-2H+Na"	20.974666
"471465"	528.062866	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M-2H+Na"	20.974666
"848633"	190.004066	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-2H+Na"	20.974666
"1618447"	190.004066	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Na-2H"	20.974666
"94312"	186.010463	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M-H+Cl"	33.962126
"534829"	270.525163	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M-H+Cl"	33.962126
"933131"	101.495763	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-H+Cl"	33.962126
"269135"	373.028202	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+Cl"	34.969402
"659997"	542.057602	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+Cl"	34.969402
"1279797"	203.998802	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Cl"	34.969402
"21261"	375.007406	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M-2H+K"	36.948606
"466288"	544.036806	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M-2H+K"	36.948606
"837528"	205.978006	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-2H+K"	36.948606
"1566486"	205.978006	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+K-2H"	36.948606
"953275"	214.027594	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-H+HCOOH"	44.998194
"369304"	383.057001	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+HCOOH-H"	44.998201
"348082"	397.072651	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+Hac-H"	59.013851
"1497643"	228.043251	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Hac-H"	59.013851
"961541"	236.009551	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-H+NaCOOH"	66.980151
"115188"	203.998802	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+2Cl"	69.938804
"554383"	288.513502	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+2Cl"	69.938804
"1029015"	119.484102	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2Cl"	69.938804
"1247499"	247.948285	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Br"	78.918885
"1315417"	250.004272	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Cl+HCOOH"	80.974872
"1332914"	271.986229	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Cl+NaCOOH"	102.956829
"920691"	282.014986	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M-H+CF3COOH"	112.985586
"1301773"	317.991664	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Cl+CF3COOH"	148.962264
"1373380"	134.016724	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H-2H2O"	-35.012676
"1387597"	152.0267	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H-H2O"	-17.0027
"293845"	339.066076	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+H"	1.007276
"686266"	508.095476	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+H"	1.007276
"1353869"	170.036676	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H"	1.007276
"131129"	170.036676	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+2H"	2.014552
"572879"	254.551376	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+2H"	2.014552
"1042771"	85.521976	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2H"	2.014552
"211399"	113.693542666667	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+3H"	3.021828
"652423"	170.036676	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+3H"	3.021828
"1177121"	57.3504093333333	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+3H"	3.021828
"439710"	356.092623	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+NH4"	18.033823
"799932"	525.122023	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+NH4"	18.033823
"1695650"	187.063223	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+NH4"	18.033823
"345596"	178.5499495	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+H+NH4"	19.041099
"737567"	263.0646495	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+H+NH4"	19.041099
"1491869"	94.0352495	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H+NH4"	19.041099
"408126"	361.048018	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+Na"	22.989218
"762066"	530.077418	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+Na"	22.989218
"1610165"	192.018618	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Na"	22.989218
"328220"	181.027647	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+H+Na"	23.996494
"720275"	265.542347	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+H+Na"	23.996494
"1470817"	96.512947	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H+Na"	23.996494
"1065159"	64.6777233333333	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2H+Na"	25.00377
"1265741"	202.062886	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+CH3OH+H"	33.033486
"386506"	377.021958	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+K"	38.963158
"749690"	546.051358	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+K"	38.963158
"1553567"	207.992558	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+K"	38.963158
"307826"	189.014617	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+H+K"	39.970434
"703529"	273.529317	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+H+K"	39.970434
"1452976"	104.499917	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H+K"	39.970434
"242670"	380.092626	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+ACN+H"	42.033826
"1214286"	211.063226	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+ACN+H"	42.033826
"1203271"	106.035251	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+ACN+2H"	43.041102
"195411"	383.02996	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+2Na-H"	44.97116
"631691"	552.05936	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+2Na-H"	44.97116
"1134105"	214.00056	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2Na-H"	44.97116
"179581"	192.018618	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+2Na"	45.978436
"614403"	276.533318	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+2Na"	45.978436
"1115689"	107.503918	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2Na"	45.978436
"1398473"	72.0050373333333	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H+2Na"	46.985712
"1430222"	216.042146	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H+HCOOH"	47.012746
"227991"	197.05164	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+3H2O+2H"	56.04448
"1513866"	230.09419	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+IsoProp+H"	61.06479
"414648"	200.005588	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+Na+K"	61.952376
"781111"	284.520288	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+Na+K"	61.952376
"1675256"	115.490888	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Na+K"	61.952376
"258495"	402.074568	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+ACN+Na"	64.015768
"1233393"	233.045168	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+ACN+Na"	64.015768
"1714991"	233.068693	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+NH4+HCOOH"	64.039293
"1188732"	79.3323513333333	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+3Na"	68.967654
"1659720"	238.024088	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Na+HCOOH"	68.994688
"165485"	414.97784	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+2K-H"	76.91904
"606140"	584.00724	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+2K-H"	76.91904
"1087370"	245.94844	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2K-H"	76.91904
"144552"	207.992558	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"2M+2K"	77.926316
"589213"	292.507258	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"3M+2K"	77.926316
"1072632"	123.477858	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2K"	77.926316
"1108032"	247.962992	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2K+H"	78.933592
"1338950"	248.050607	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+DMSO+H"	79.021207
"1007479"	252.089776	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2ACN+H"	83.060376
"1524265"	253.083408	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+IsoProp+Na+H"	84.054008
"991080"	126.548526	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+2ACN+2H"	84.067652
"1593120"	253.998028	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+K+HCOOH"	84.968628
"1424249"	284.029538	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+H+CF3COOH"	115.000138
"1156723"	147.061801	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+3ACN+2H"	125.094202
"1707370"	301.056085	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+NH4+CF3COOH"	132.026685
"1645208"	306.01148	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+Na+CF3COOH"	136.98208
"1583048"	321.98542	"C14494"	"4-Chloroacetanilide"	"C8H8ClNO"	"169.0294"	"M+K+CF3COOH"	152.95602
"803572"	470.376	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M"	0
"983667"	451.35761	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-H2O-H"	-19.01839
"69721"	312.576724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M-3H"	-3.021828
"510377"	469.368724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M-3H"	-3.021828
"889278"	155.784724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-3H"	-3.021828
"643"	469.368724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M-2H"	-2.014552
"440233"	704.556724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M-2H"	-2.014552
"819015"	234.180724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-2H"	-2.014552
"84112"	939.744724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M-H"	-1.007276
"522941"	1410.120724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M-H"	-1.007276
"901473"	469.368724	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-H"	-1.007276
"51472"	956.771271	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M-2H+NH4"	16.019271
"490304"	1427.147271	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M-2H+NH4"	16.019271
"867740"	486.395271	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-2H+NH4"	16.019271
"34549"	961.726666	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M-2H+Na"	20.974666
"471493"	1432.102666	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M-2H+Na"	20.974666
"848738"	491.350666	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-2H+Na"	20.974666
"1619377"	491.350666	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Na-2H"	20.974666
"94404"	487.357063	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M-H+Cl"	33.962126
"534982"	722.545063	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M-H+Cl"	33.962126
"927400"	252.169063	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-H+Cl"	33.962126
"270704"	975.721402	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+Cl"	34.969402
"660040"	1446.097402	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+Cl"	34.969402
"1276259"	505.345402	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Cl"	34.969402
"22462"	977.700606	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M-2H+K"	36.948606
"465305"	1448.076606	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M-2H+K"	36.948606
"838732"	507.324606	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-2H+K"	36.948606
"1563316"	507.324606	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+K-2H"	36.948606
"945730"	515.374194	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-H+HCOOH"	44.998194
"367226"	985.750201	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+HCOOH-H"	44.998201
"348190"	999.765851	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+Hac-H"	59.013851
"1496293"	529.389851	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Hac-H"	59.013851
"961650"	537.356151	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-H+NaCOOH"	66.980151
"115299"	505.345402	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+2Cl"	69.938804
"555954"	740.533402	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+2Cl"	69.938804
"1028032"	270.157402	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2Cl"	69.938804
"1248706"	549.294885	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Br"	78.918885
"1314436"	551.350872	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Cl+HCOOH"	80.974872
"1332661"	573.332829	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Cl+NaCOOH"	102.956829
"919709"	583.361586	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M-H+CF3COOH"	112.985586
"1299697"	619.338264	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Cl+CF3COOH"	148.962264
"1371302"	435.363324	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H-2H2O"	-35.012676
"1387707"	453.3733	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H-H2O"	-17.0027
"285206"	941.759276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+H"	1.007276
"679814"	1412.135276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+H"	1.007276
"1357257"	471.383276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H"	1.007276
"126135"	471.383276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+2H"	2.014552
"570802"	706.571276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+2H"	2.014552
"1042883"	236.195276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2H"	2.014552
"214062"	314.591276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+3H"	3.021828
"658731"	471.383276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+3H"	3.021828
"1178250"	157.799276	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+3H"	3.021828
"439536"	958.785823	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+NH4"	18.033823
"800527"	1429.161823	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+NH4"	18.033823
"1695153"	488.409823	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+NH4"	18.033823
"345017"	479.8965495	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+H+NH4"	19.041099
"737562"	715.0845495	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+H+NH4"	19.041099
"1491859"	244.7085495	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H+NH4"	19.041099
"408075"	963.741218	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+Na"	22.989218
"763269"	1434.117218	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+Na"	22.989218
"1614649"	493.365218	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Na"	22.989218
"328209"	482.374247	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+H+Na"	23.996494
"720996"	717.562247	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+H+Na"	23.996494
"1472021"	247.186247	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H+Na"	23.996494
"1065269"	165.12659	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2H+Na"	25.00377
"1264760"	503.409486	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+CH3OH+H"	33.033486
"387710"	979.715158	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+K"	38.963158
"750894"	1450.091158	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+K"	38.963158
"1550760"	509.339158	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+K"	38.963158
"304657"	490.361217	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+H+K"	39.970434
"695987"	725.549217	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+H+K"	39.970434
"1453086"	255.173217	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H+K"	39.970434
"241687"	982.785826	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+ACN+H"	42.033826
"1214396"	512.409826	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+ACN+H"	42.033826
"1202652"	256.708551	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+ACN+2H"	43.041102
"197707"	985.72316	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+2Na-H"	44.97116
"637999"	1456.09916	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+2Na-H"	44.97116
"1138588"	515.34716	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2Na-H"	44.97116
"179692"	493.365218	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+2Na"	45.978436
"615970"	728.553218	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+2Na"	45.978436
"1116437"	258.177218	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2Na"	45.978436
"1398494"	172.453904	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H+2Na"	46.985712
"1431231"	517.388746	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H+HCOOH"	47.012746
"225185"	498.39824	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+3H2O+2H"	56.04448
"1514703"	531.44079	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+IsoProp+H"	61.06479
"415850"	501.352188	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+Na+K"	61.952376
"780127"	736.540188	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+Na+K"	61.952376
"1674272"	266.164188	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Na+K"	61.952376
"258606"	1004.767768	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+ACN+Na"	64.015768
"1231315"	534.391768	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+ACN+Na"	64.015768
"1714128"	534.415293	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+NH4+HCOOH"	64.039293
"1186290"	179.781218	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+3Na"	68.967654
"1651807"	539.370688	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Na+HCOOH"	68.994688
"157575"	1017.67104	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+2K-H"	76.91904
"602604"	1488.04704	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+2K-H"	76.91904
"1084352"	547.29504	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2K-H"	76.91904
"145390"	509.339158	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"2M+2K"	77.926316
"584950"	744.527158	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"3M+2K"	77.926316
"1068813"	274.151158	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2K"	77.926316
"1101582"	549.309592	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2K+H"	78.933592
"1337967"	549.397207	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+DMSO+H"	79.021207
"1006496"	553.436376	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2ACN+H"	83.060376
"1524290"	554.430008	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+IsoProp+Na+H"	84.054008
"991069"	277.221826	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+2ACN+2H"	84.067652
"1593230"	555.344628	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+K+HCOOH"	84.968628
"1423266"	585.376138	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+H+CF3COOH"	115.000138
"1156833"	297.735101	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+3ACN+2H"	125.094202
"1700918"	602.402685	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+NH4+CF3COOH"	132.026685
"1638757"	607.35808	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+Na+CF3COOH"	136.98208
"1583158"	623.33202	"C14495"	"Eburicoic acid"	"C31H50O3"	"470.376"	"M+K+CF3COOH"	152.95602
"803684"	286.1569	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M"	0
"976122"	267.13851	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-H2O-H"	-19.01839
"72019"	189.763990666667	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M-3H"	-3.021828
"510487"	285.149624	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M-3H"	-3.021828
"893760"	94.3783573333333	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-3H"	-3.021828
"4685"	285.149624	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M-2H"	-2.014552
"443151"	428.228074	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M-2H"	-2.014552
"822042"	142.071174	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-2H"	-2.014552
"88596"	571.306524	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M-H"	-1.007276
"525968"	857.463424	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M-H"	-1.007276
"901583"	285.149624	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-H"	-1.007276
"55957"	588.333071	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M-2H+NH4"	16.019271
"491143"	874.489971	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M-2H+NH4"	16.019271
"871132"	302.176171	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-2H+NH4"	16.019271
"40128"	593.288466	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M-2H+Na"	20.974666
"472071"	879.445366	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M-2H+Na"	20.974666
"850076"	307.131566	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-2H+Na"	20.974666
"1619367"	307.131566	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Na-2H"	20.974666
"94597"	303.137963	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M-H+Cl"	33.962126
"534767"	446.216413	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M-H+Cl"	33.962126
"928355"	160.059513	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-H+Cl"	33.962126
"271178"	607.283202	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+Cl"	34.969402
"660545"	893.440102	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+Cl"	34.969402
"1277830"	321.126302	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Cl"	34.969402
"22572"	609.262406	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M-2H+K"	36.948606
"464321"	895.419306	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M-2H+K"	36.948606
"843216"	323.105506	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-2H+K"	36.948606
"1563426"	323.105506	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+K-2H"	36.948606
"945840"	331.155094	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-H+HCOOH"	44.998194
"368429"	617.312001	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+HCOOH-H"	44.998201
"349395"	631.327651	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+Hac-H"	59.013851
"1500051"	345.170751	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Hac-H"	59.013851
"966502"	353.137051	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-H+NaCOOH"	66.980151
"114316"	321.126302	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+2Cl"	69.938804
"556065"	464.204752	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+2Cl"	69.938804
"1029237"	178.047852	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2Cl"	69.938804
"1251003"	365.075785	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Br"	78.918885
"1317827"	367.131772	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Cl+HCOOH"	80.974872
"1330949"	389.113729	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Cl+NaCOOH"	102.956829
"924193"	399.142486	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M-H+CF3COOH"	112.985586
"1299807"	435.119164	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Cl+CF3COOH"	148.962264
"1376879"	251.144224	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H-2H2O"	-35.012676
"1394377"	269.1542	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H-H2O"	-17.0027
"285316"	573.321076	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+H"	1.007276
"679924"	859.477976	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+H"	1.007276
"1352624"	287.164176	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H"	1.007276
"137914"	287.164176	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+2H"	2.014552
"575287"	430.242626	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+2H"	2.014552
"1044086"	144.085726	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2H"	2.014552
"219534"	191.778542666667	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+3H"	3.021828
"659461"	287.164176	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+3H"	3.021828
"1178280"	96.3929093333333	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+3H"	3.021828
"439402"	590.347623	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+NH4"	18.033823
"800754"	876.504523	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+NH4"	18.033823
"1694654"	304.190723	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+NH4"	18.033823
"345117"	295.6774495	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+H+NH4"	19.041099
"737754"	438.7558995	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+H+NH4"	19.041099
"1492211"	152.5989995	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H+NH4"	19.041099
"405304"	595.303018	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+Na"	22.989218
"763380"	881.459918	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+Na"	22.989218
"1612572"	309.146118	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Na"	22.989218
"320425"	298.155147	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+H+Na"	23.996494
"715033"	441.233597	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+H+Na"	23.996494
"1467760"	155.076697	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H+Na"	23.996494
"1063193"	103.720223333333	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2H+Na"	25.00377
"1268152"	319.190386	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+CH3OH+H"	33.033486
"383446"	611.276958	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+K"	38.963158
"752098"	897.433858	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+K"	38.963158
"1554150"	325.120058	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+K"	38.963158
"312421"	306.142117	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+H+K"	39.970434
"701564"	449.220567	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+H+K"	39.970434
"1457571"	163.063667	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H+K"	39.970434
"245078"	614.347626	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+ACN+H"	42.033826
"1219973"	328.190726	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+ACN+H"	42.033826
"1205680"	164.599001	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+ACN+2H"	43.041102
"196725"	617.28496	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+2Na-H"	44.97116
"633006"	903.44186	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+2Na-H"	44.97116
"1137606"	331.12806	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2Na-H"	44.97116
"184904"	309.146118	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+2Na"	45.978436
"616082"	452.224568	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+2Na"	45.978436
"1116789"	166.067668	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2Na"	45.978436
"1398855"	111.047537333333	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H+2Na"	46.985712
"1430241"	333.169646	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H+HCOOH"	47.012746
"226025"	314.17914	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+3H2O+2H"	56.04448
"1511533"	347.22169	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+IsoProp+H"	61.06479
"412681"	317.133088	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+Na+K"	61.952376
"775865"	460.211538	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+Na+K"	61.952376
"1672195"	174.054638	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Na+K"	61.952376
"256530"	636.329568	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+ACN+Na"	64.015768
"1232520"	350.172668	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+ACN+Na"	64.015768
"1716304"	350.196193	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+NH4+HCOOH"	64.039293
"1186400"	118.374851333333	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+3Na"	68.967654
"1657020"	355.151588	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Na+HCOOH"	68.994688
"161694"	649.23284	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+2K-H"	76.91904
"599067"	935.38974	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+2K-H"	76.91904
"1086860"	363.07594	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2K-H"	76.91904
"147685"	325.120058	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"2M+2K"	77.926316
"585424"	468.198508	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"3M+2K"	77.926316
"1073945"	182.041608	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2K"	77.926316
"1101808"	365.090492	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2K+H"	78.933592
"1338074"	365.178107	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+DMSO+H"	79.021207
"1006116"	369.217276	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2ACN+H"	83.060376
"1525822"	370.210908	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+IsoProp+Na+H"	84.054008
"989943"	185.112276	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+2ACN+2H"	84.067652
"1587505"	371.125528	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+K+HCOOH"	84.968628
"1423374"	401.157038	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+H+CF3COOH"	115.000138
"1150381"	205.625551	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+3ACN+2H"	125.094202
"1704312"	418.183585	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+NH4+CF3COOH"	132.026685
"1636681"	423.13898	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+Na+CF3COOH"	136.98208
"1583268"	439.11292	"C14496"	"Estrololactone;3-Hydroxy-D-homo-17a-oxaestra-135(10)-trien-17-one"	"C18H22O3"	"286.1569"	"M+K+CF3COOH"	152.95602
"815823"	304.2038	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M"	0
"987168"	285.18541	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"75411"	201.795257333333	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"512784"	303.196524	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"887312"	100.393990666667	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"1631"	303.196524	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"441192"	455.298424	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"817292"	151.094624	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"79094"	607.400324	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"519268"	911.604124	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"896097"	303.196524	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"47925"	624.426871	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"488458"	928.630671	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"865166"	320.223071	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"32580"	629.382266	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"472011"	933.586066	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"848694"	325.178466	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1619347"	325.178466	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"96133"	321.184863	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"536666"	473.286763	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"933461"	169.082963	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"268857"	643.377002	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"662616"	947.580802	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1280128"	339.173202	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"28154"	645.356206	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"464431"	949.560006	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"840047"	341.152406	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1568640"	341.152406	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"951419"	349.201994	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"370727"	653.405801	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"355704"	667.421451	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1496883"	363.217651	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"964426"	371.183951	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"115519"	339.173202	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"555081"	491.275102	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1030440"	187.071302	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1250020"	383.122685	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1314654"	385.178672	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1328869"	407.160629	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"915551"	417.189386	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1289098"	453.166064	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1378084"	269.191124	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1391208"	287.2011	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"291989"	609.414876	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"685503"	913.618676	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1356383"	305.211076	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"141188"	305.211076	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"578678"	457.312976	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1050759"	153.109176	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"218542"	203.809809333333	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"658720"	305.211076	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1178323"	102.408542666667	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"439754"	626.441423	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"797338"	930.645223	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1695492"	322.237623	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"345627"	313.7243495	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"738494"	465.8262495	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1491105"	161.6224495	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"402498"	631.396818	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"762401"	935.600618	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1609405"	327.193018	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"324909"	316.202047	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"722518"	468.303947	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1471151"	164.100147	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1061116"	109.735856666667	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1266074"	337.237286	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"386837"	647.370758	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"752208"	951.574558	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1552073"	343.166958	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"311438"	324.189017	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"703861"	476.290917	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1455495"	172.087117	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"244095"	650.441426	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1222270"	346.237626	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1207247"	173.622451	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"195742"	653.37876	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"634209"	957.58256	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1137717"	349.17496	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"183921"	327.193018	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"618014"	479.294918	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1117264"	175.091118	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1399208"	117.063170666667	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1431329"	351.216546	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"226135"	332.22604	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1511642"	365.26859	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"413883"	335.179988	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"773787"	487.281888	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1670118"	183.078088	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"252629"	672.423368	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1235912"	368.219568	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1724439"	368.243093	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1186876"	124.390484666667	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1657861"	373.198488	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"157173"	685.32664	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"602095"	989.53044	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1086971"	381.12284	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"144518"	343.166958	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"581561"	495.268858	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1075152"	191.065058	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1101801"	383.137392	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1335710"	383.225007	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1005858"	387.264176	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1524469"	388.257808	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"994573"	194.135726	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1595639"	389.172428	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1420205"	419.203938	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1151588"	214.649001	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1703327"	436.230485	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1640071"	441.18588	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1583378"	457.15982	"C14497"	"6beta-Hydroxytestosterone;6beta17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"807182"	268.1463	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M"	0
"976342"	249.12791	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-H2O-H"	-19.01839
"76615"	177.756924	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M-3H"	-3.021828
"512894"	267.139024	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M-3H"	-3.021828
"889609"	88.374824	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-3H"	-3.021828
"1256"	267.139024	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M-2H"	-2.014552
"440936"	401.212174	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M-2H"	-2.014552
"818252"	133.065874	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-2H"	-2.014552
"79700"	535.285324	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M-H"	-1.007276
"519502"	803.431624	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M-H"	-1.007276
"896696"	267.139024	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-H"	-1.007276
"48030"	552.311871	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M-2H+NH4"	16.019271
"487712"	820.458171	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M-2H+NH4"	16.019271
"864500"	284.165571	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-2H+NH4"	16.019271
"32569"	557.267266	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M-2H+Na"	20.974666
"471555"	825.413566	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M-2H+Na"	20.974666
"848834"	289.120966	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-2H+Na"	20.974666
"1619011"	289.120966	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Na-2H"	20.974666
"96243"	285.127363	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M-H+Cl"	33.962126
"537140"	419.200513	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M-H+Cl"	33.962126
"934665"	151.054213	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-H+Cl"	33.962126
"267416"	571.262002	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+Cl"	34.969402
"662726"	839.408302	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+Cl"	34.969402
"1281331"	303.115702	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Cl"	34.969402
"28264"	573.241206	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M-2H+K"	36.948606
"465634"	841.387506	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M-2H+K"	36.948606
"842343"	305.094906	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-2H+K"	36.948606
"1566927"	305.094906	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+K-2H"	36.948606
"951529"	313.144494	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-H+HCOOH"	44.998194
"368650"	581.290801	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+HCOOH-H"	44.998201
"353627"	595.306451	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+Hac-H"	59.013851
"1499179"	327.160151	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Hac-H"	59.013851
"963442"	335.126451	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-H+NaCOOH"	66.980151
"113442"	303.115702	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+2Cl"	69.938804
"556283"	437.188852	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+2Cl"	69.938804
"1031279"	169.042552	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2Cl"	69.938804
"1254502"	347.065185	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Br"	78.918885
"1315857"	349.121172	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Cl+HCOOH"	80.974872
"1325699"	371.103129	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Cl+NaCOOH"	102.956829
"915661"	381.131886	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M-H+CF3COOH"	112.985586
"1289693"	417.108564	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Cl+CF3COOH"	148.962264
"1374914"	233.133624	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H-2H2O"	-35.012676
"1391318"	251.1436	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H-H2O"	-17.0027
"292099"	537.299876	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+H"	1.007276
"685613"	805.446176	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+H"	1.007276
"1357586"	269.153576	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H"	1.007276
"141138"	269.153576	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+2H"	2.014552
"578788"	403.226726	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+2H"	2.014552
"1052449"	135.080426	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2H"	2.014552
"219017"	179.771476	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+3H"	3.021828
"659641"	269.153576	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+3H"	3.021828
"1178442"	90.389376	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+3H"	3.021828
"439132"	554.326423	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+NH4"	18.033823
"798542"	822.472723	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+NH4"	18.033823
"1696332"	286.180123	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+NH4"	18.033823
"344973"	277.6668495	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+H+NH4"	19.041099
"737398"	411.7399995	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+H+NH4"	19.041099
"1492309"	143.5936995	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H+NH4"	19.041099
"400422"	559.281818	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+Na"	22.989218
"760323"	827.428118	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+Na"	22.989218
"1608422"	291.135518	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Na"	22.989218
"325019"	280.144547	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+H+Na"	23.996494
"719630"	414.217697	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+H+Na"	23.996494
"1471261"	146.071397	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H+Na"	23.996494
"1062320"	97.71669	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2H+Na"	25.00377
"1265091"	301.179786	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+CH3OH+H"	33.033486
"384761"	575.255758	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+K"	38.963158
"752319"	843.402058	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+K"	38.963158
"1552184"	307.109458	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+K"	38.963158
"313006"	288.131517	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+H+K"	39.970434
"702877"	422.204667	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+H+K"	39.970434
"1454511"	154.058367	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H+K"	39.970434
"245298"	578.326426	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+ACN+H"	42.033826
"1216914"	310.180126	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+ACN+H"	42.033826
"1198610"	155.593701	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+ACN+2H"	43.041102
"199134"	581.26376	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+2Na-H"	44.97116
"640516"	849.41006	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+2Na-H"	44.97116
"1138921"	313.11746	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2Na-H"	44.97116
"180023"	291.135518	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+2Na"	45.978436
"617760"	425.208668	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+2Na"	45.978436
"1118348"	157.062368	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2Na"	45.978436
"1399317"	105.044004	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H+2Na"	46.985712
"1431804"	315.159046	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H+HCOOH"	47.012746
"226245"	296.16854	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+3H2O+2H"	56.04448
"1510172"	329.21109	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+IsoProp+H"	61.06479
"409983"	299.122488	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+Na+K"	61.952376
"776081"	433.195638	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+Na+K"	61.952376
"1666457"	165.049338	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Na+K"	61.952376
"252859"	600.308368	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+ACN+Na"	64.015768
"1234929"	332.162068	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+ACN+Na"	64.015768
"1723819"	332.185593	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+NH4+HCOOH"	64.039293
"1188080"	112.371318	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+3Na"	68.967654
"1659064"	337.140988	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Na+HCOOH"	68.994688
"161551"	613.21164	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+2K-H"	76.91904
"602570"	881.35794	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+2K-H"	76.91904
"1084766"	345.06534	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2K-H"	76.91904
"144628"	307.109458	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"2M+2K"	77.926316
"582115"	441.182608	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"3M+2K"	77.926316
"1075262"	173.036308	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2K"	77.926316
"1102153"	347.079892	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2K+H"	78.933592
"1338415"	347.167507	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+DMSO+H"	79.021207
"1006090"	351.206676	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2ACN+H"	83.060376
"1524495"	352.200308	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+IsoProp+Na+H"	84.054008
"990911"	176.106976	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+2ACN+2H"	84.067652
"1595749"	353.114928	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+K+HCOOH"	84.968628
"1420315"	383.146438	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+H+CF3COOH"	115.000138
"1156072"	196.620251	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+3ACN+2H"	125.094202
"1704531"	400.172985	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+NH4+CF3COOH"	132.026685
"1640181"	405.12838	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+Na+CF3COOH"	136.98208
"1583488"	421.10232	"C14498"	"17alpha-Dihydroequilenin"	"C18H20O2"	"268.1463"	"M+K+CF3COOH"	152.95602
"805105"	240.2453	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M"	0
"977546"	221.22691	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-H2O-H"	-19.01839
"73445"	159.156257333333	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M-3H"	-3.021828
"509723"	239.238024	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M-3H"	-3.021828
"891907"	79.0744906666667	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-3H"	-3.021828
"4286"	239.238024	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M-2H"	-2.014552
"442019"	359.360674	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M-2H"	-2.014552
"818363"	119.115374	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-2H"	-2.014552
"79205"	479.483324	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M-H"	-1.007276
"518681"	719.728624	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M-H"	-1.007276
"896809"	239.238024	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-H"	-1.007276
"47174"	496.509871	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M-2H+NH4"	16.019271
"487338"	736.755171	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M-2H+NH4"	16.019271
"864482"	256.264571	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-2H+NH4"	16.019271
"31635"	501.465266	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M-2H+Na"	20.974666
"471537"	741.710566	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M-2H+Na"	20.974666
"848642"	261.219966	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-2H+Na"	20.974666
"1618594"	261.219966	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Na-2H"	20.974666
"95135"	257.226363	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M-H+Cl"	33.962126
"536886"	377.349013	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M-H+Cl"	33.962126
"935868"	137.103713	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-H+Cl"	33.962126
"267262"	515.460002	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+Cl"	34.969402
"660070"	755.705302	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+Cl"	34.969402
"1279255"	275.214702	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Cl"	34.969402
"28374"	517.439206	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M-2H+K"	36.948606
"463558"	757.684506	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M-2H+K"	36.948606
"840267"	277.193906	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-2H+K"	36.948606
"1567037"	277.193906	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+K-2H"	36.948606
"951639"	285.243494	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-H+HCOOH"	44.998194
"368760"	525.488801	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+HCOOH-H"	44.998201
"353737"	539.504451	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+Hac-H"	59.013851
"1499289"	299.259151	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Hac-H"	59.013851
"963552"	307.225451	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-H+NaCOOH"	66.980151
"113552"	275.214702	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+2Cl"	69.938804
"556393"	395.337352	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+2Cl"	69.938804
"1031753"	155.092052	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2Cl"	69.938804
"1254612"	319.164185	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Br"	78.918885
"1315967"	321.220172	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Cl+HCOOH"	80.974872
"1325809"	343.202129	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Cl+NaCOOH"	102.956829
"915043"	353.230886	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M-H+CF3COOH"	112.985586
"1290289"	389.207564	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Cl+CF3COOH"	148.962264
"1380491"	205.232624	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H-2H2O"	-35.012676
"1391428"	223.2426	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H-H2O"	-17.0027
"292209"	481.497876	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+H"	1.007276
"685723"	721.743176	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+H"	1.007276
"1355510"	241.252576	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H"	1.007276
"141365"	241.252576	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+2H"	2.014552
"575618"	361.375226	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+2H"	2.014552
"1050978"	121.129926	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2H"	2.014552
"219972"	161.170809333333	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+3H"	3.021828
"659754"	241.252576	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+3H"	3.021828
"1178450"	81.0890426666667	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+3H"	3.021828
"438998"	498.524423	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+NH4"	18.033823
"799744"	738.769723	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+NH4"	18.033823
"1696075"	258.279123	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+NH4"	18.033823
"345448"	249.7658495	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+H+NH4"	19.041099
"738359"	369.8884995	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+H+NH4"	19.041099
"1491566"	129.6431995	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H+NH4"	19.041099
"402716"	503.479818	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+Na"	22.989218
"762619"	743.725118	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+Na"	22.989218
"1606345"	263.234518	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Na"	22.989218
"321848"	252.243547	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+H+Na"	23.996494
"720104"	372.366197	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+H+Na"	23.996494
"1470278"	132.120897	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H+Na"	23.996494
"1060243"	88.4163566666667	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2H+Na"	25.00377
"1265197"	273.278786	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+CH3OH+H"	33.033486
"383778"	519.453758	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+K"	38.963158
"752065"	759.699058	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+K"	38.963158
"1552294"	279.208458	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+K"	38.963158
"312024"	260.230517	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+H+K"	39.970434
"701893"	380.353167	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+H+K"	39.970434
"1453528"	140.107867	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H+K"	39.970434
"242128"	522.524426	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+ACN+H"	42.033826
"1213744"	282.279126	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+ACN+H"	42.033826
"1198720"	141.643201	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+ACN+2H"	43.041102
"202160"	525.46176	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+2Na-H"	44.97116
"641720"	765.70706	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+2Na-H"	44.97116
"1140124"	285.21646	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2Na-H"	44.97116
"177945"	263.234518	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+2Na"	45.978436
"615318"	383.357168	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+2Na"	45.978436
"1116635"	143.111868	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2Na"	45.978436
"1399430"	95.7436706666667	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H+2Na"	46.985712
"1429991"	287.258046	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H+HCOOH"	47.012746
"225261"	268.26754	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+3H2O+2H"	56.04448
"1510768"	301.31009	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+IsoProp+H"	61.06479
"410820"	271.221488	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+Na+K"	61.952376
"772911"	391.344138	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+Na+K"	61.952376
"1667297"	151.098838	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Na+K"	61.952376
"253578"	544.506368	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+ACN+Na"	64.015768
"1238319"	304.261068	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+ACN+Na"	64.015768
"1723928"	304.284593	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+NH4+HCOOH"	64.039293
"1190742"	103.070984666667	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+3Na"	68.967654
"1656987"	309.239988	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Na+HCOOH"	68.994688
"164940"	557.40964	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+2K-H"	76.91904
"602316"	797.65494	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+2K-H"	76.91904
"1085002"	317.16434	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2K-H"	76.91904
"142788"	279.208458	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"2M+2K"	77.926316
"582591"	399.331108	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"3M+2K"	77.926316
"1075372"	159.085808	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2K"	77.926316
"1102021"	319.178892	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2K+H"	78.933592
"1337432"	319.266507	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+DMSO+H"	79.021207
"1006196"	323.305676	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2ACN+H"	83.060376
"1524444"	324.299308	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+IsoProp+Na+H"	84.054008
"990902"	162.156476	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+2ACN+2H"	84.067652
"1594766"	325.213928	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+K+HCOOH"	84.968628
"1420425"	355.245438	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+H+CF3COOH"	115.000138
"1156182"	182.669751	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+3ACN+2H"	125.094202
"1704641"	372.271985	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+NH4+CF3COOH"	132.026685
"1640291"	377.22738	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+Na+CF3COOH"	136.98208
"1583598"	393.20132	"C14499"	"12-Epoxyhexadecane"	"C16H32O"	"240.2453"	"M+K+CF3COOH"	152.95602
"805215"	272.1776	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M"	0
"976562"	253.15921	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-H2O-H"	-19.01839
"73555"	180.444457333333	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M-3H"	-3.021828
"509833"	271.170324	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M-3H"	-3.021828
"889827"	89.7185906666667	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-3H"	-3.021828
"1357"	271.170324	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M-2H"	-2.014552
"441401"	407.259124	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M-2H"	-2.014552
"817137"	135.081524	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-2H"	-2.014552
"78629"	543.347924	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M-H"	-1.007276
"518633"	815.525524	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M-H"	-1.007276
"895707"	271.170324	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-H"	-1.007276
"47144"	560.374471	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M-2H+NH4"	16.019271
"487219"	832.552071	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M-2H+NH4"	16.019271
"864374"	288.196871	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-2H+NH4"	16.019271
"31937"	565.329866	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M-2H+Na"	20.974666
"471428"	837.507466	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M-2H+Na"	20.974666
"848582"	293.152266	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-2H+Na"	20.974666
"1618473"	293.152266	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Na-2H"	20.974666
"94330"	289.158663	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M-H+Cl"	33.962126
"534967"	425.247463	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M-H+Cl"	33.962126
"930511"	153.069863	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-H+Cl"	33.962126
"267561"	579.324602	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+Cl"	34.969402
"659954"	851.502202	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+Cl"	34.969402
"1274259"	307.147002	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Cl"	34.969402
"19003"	581.303806	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M-2H+K"	36.948606
"468043"	853.481406	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M-2H+K"	36.948606
"840377"	309.126206	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-2H+K"	36.948606
"1566053"	309.126206	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+K-2H"	36.948606
"949561"	317.175794	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-H+HCOOH"	44.998194
"363403"	589.353401	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+HCOOH-H"	44.998201
"353847"	603.369051	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+Hac-H"	59.013851
"1499399"	331.191451	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Hac-H"	59.013851
"963662"	339.157751	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-H+NaCOOH"	66.980151
"113662"	307.147002	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+2Cl"	69.938804
"554316"	443.235802	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+2Cl"	69.938804
"1028583"	171.058202	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2Cl"	69.938804
"1249254"	351.096485	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Br"	78.918885
"1315713"	353.152472	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Cl+HCOOH"	80.974872
"1325919"	375.134429	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Cl+NaCOOH"	102.956829
"914058"	385.163186	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M-H+CF3COOH"	112.985586
"1289792"	421.139864	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Cl+CF3COOH"	148.962264
"1378415"	237.164924	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H-2H2O"	-35.012676
"1390445"	255.1749	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H-H2O"	-17.0027
"289039"	545.362476	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+H"	1.007276
"684740"	817.540076	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+H"	1.007276
"1355620"	273.184876	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H"	1.007276
"137262"	273.184876	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+2H"	2.014552
"576821"	409.273676	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+2H"	2.014552
"1046713"	137.096076	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2H"	2.014552
"218629"	182.459009333333	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+3H"	3.021828
"658921"	273.184876	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+3H"	3.021828
"1177291"	91.7331426666667	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+3H"	3.021828
"438985"	562.389023	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+NH4"	18.033823
"799493"	834.566623	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+NH4"	18.033823
"1693999"	290.211423	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+NH4"	18.033823
"343978"	281.6981495	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+H+NH4"	19.041099
"737492"	417.7869495	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+H+NH4"	19.041099
"1492284"	145.6093495	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H+NH4"	19.041099
"403916"	567.344418	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+Na"	22.989218
"763821"	839.522018	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+Na"	22.989218
"1610826"	295.166818	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Na"	22.989218
"318678"	284.175847	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+H+Na"	23.996494
"717662"	420.264647	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+H+Na"	23.996494
"1469295"	148.087047	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H+Na"	23.996494
"1059260"	99.0604566666667	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2H+Na"	25.00377
"1262028"	305.211086	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+CH3OH+H"	33.033486
"384981"	583.318358	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+K"	38.963158
"750352"	855.495958	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+K"	38.963158
"1551311"	311.140758	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+K"	38.963158
"309580"	292.162817	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+H+K"	39.970434
"703824"	428.251617	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+H+K"	39.970434
"1456551"	156.074017	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H+K"	39.970434
"242237"	586.389026	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+ACN+H"	42.033826
"1216038"	314.211426	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+ACN+H"	42.033826
"1203202"	157.609351	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+ACN+2H"	43.041102
"197164"	589.32636	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+2Na-H"	44.97116
"636724"	861.50396	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+2Na-H"	44.97116
"1140232"	317.14876	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2Na-H"	44.97116
"178419"	295.166818	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+2Na"	45.978436
"613236"	431.255618	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+2Na"	45.978436
"1115740"	159.078018	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2Na"	45.978436
"1398795"	106.387770666667	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H+2Na"	46.985712
"1430029"	319.190346	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H+HCOOH"	47.012746
"225371"	300.19984	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+3H2O+2H"	56.04448
"1509786"	333.24239	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+IsoProp+H"	61.06479
"409474"	303.153788	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+Na+K"	61.952376
"773021"	439.242588	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+Na+K"	61.952376
"1667530"	167.064988	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Na+K"	61.952376
"253688"	608.370968	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+ACN+Na"	64.015768
"1235150"	336.193368	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+ACN+Na"	64.015768
"1721849"	336.216893	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+NH4+HCOOH"	64.039293
"1189394"	113.715084666667	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+3Na"	68.967654
"1657097"	341.172288	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Na+HCOOH"	68.994688
"165050"	621.27424	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+2K-H"	76.91904
"602425"	893.45184	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+2K-H"	76.91904
"1084987"	349.09664	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2K-H"	76.91904
"142046"	311.140758	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"2M+2K"	77.926316
"581408"	447.229558	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"3M+2K"	77.926316
"1074389"	175.051958	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2K"	77.926316
"1102131"	351.111192	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2K+H"	78.933592
"1337421"	351.198807	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+DMSO+H"	79.021207
"1005724"	355.237976	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2ACN+H"	83.060376
"1524165"	356.231608	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+IsoProp+Na+H"	84.054008
"990888"	178.122626	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+2ACN+2H"	84.067652
"1594876"	357.146228	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+K+HCOOH"	84.968628
"1420535"	387.177738	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+H+CF3COOH"	115.000138
"1157385"	198.635901	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+3ACN+2H"	125.094202
"1704751"	404.204285	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+NH4+CF3COOH"	132.026685
"1640401"	409.15968	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+Na+CF3COOH"	136.98208
"1583708"	425.13362	"C14500"	"19-Norandrostenedione;delta4-Estrene-317-dione"	"C18H24O2"	"272.1776"	"M+K+CF3COOH"	152.95602
"805325"	260.1313	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M"	0
"976672"	241.11291	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-H2O-H"	-19.01839
"73665"	172.413590666667	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M-3H"	-3.021828
"509943"	259.124024	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M-3H"	-3.021828
"888844"	85.7031573333333	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-3H"	-3.021828
"1955"	259.124024	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M-2H"	-2.014552
"441875"	389.189674	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M-2H"	-2.014552
"817356"	129.058374	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-2H"	-2.014552
"79534"	519.255324	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M-H"	-1.007276
"518770"	779.386624	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M-H"	-1.007276
"896163"	259.124024	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-H"	-1.007276
"47424"	536.281871	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M-2H+NH4"	16.019271
"487429"	796.413171	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M-2H+NH4"	16.019271
"864793"	276.150571	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-2H+NH4"	16.019271
"31797"	541.237266	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M-2H+Na"	20.974666
"471882"	801.368566	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M-2H+Na"	20.974666
"848795"	281.105966	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-2H+Na"	20.974666
"1618934"	281.105966	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Na-2H"	20.974666
"94448"	277.112363	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M-H+Cl"	33.962126
"536738"	407.178013	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M-H+Cl"	33.962126
"931712"	147.046713	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-H+Cl"	33.962126
"267510"	555.232002	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+Cl"	34.969402
"660246"	815.363302	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+Cl"	34.969402
"1274731"	295.100702	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Cl"	34.969402
"18746"	557.211206	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M-2H+K"	36.948606
"459403"	817.342506	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M-2H+K"	36.948606
"835381"	297.079906	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-2H+K"	36.948606
"1557774"	297.079906	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+K-2H"	36.948606
"944199"	305.129494	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-H+HCOOH"	44.998194
"362415"	565.260801	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+HCOOH-H"	44.998201
"346052"	579.276451	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+Hac-H"	59.013851
"1494405"	319.145151	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Hac-H"	59.013851
"961216"	327.111451	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-H+NaCOOH"	66.980151
"113405"	295.100702	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+2Cl"	69.938804
"552964"	425.166352	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+2Cl"	69.938804
"1024314"	165.035052	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2Cl"	69.938804
"1246084"	339.050185	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Br"	78.918885
"1306342"	341.106172	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Cl+HCOOH"	80.974872
"1320921"	363.088129	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Cl+NaCOOH"	102.956829
"913073"	373.116886	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M-H+CF3COOH"	112.985586
"1290022"	409.093564	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Cl+CF3COOH"	148.962264
"1379618"	225.118624	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H-2H2O"	-35.012676
"1388368"	243.1286	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H-H2O"	-17.0027
"289149"	521.269876	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+H"	1.007276
"684850"	781.401176	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+H"	1.007276
"1357916"	261.138576	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H"	1.007276
"136277"	261.138576	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+2H"	2.014552
"576931"	391.204226	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+2H"	2.014552
"1043543"	131.072926	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2H"	2.014552
"218374"	174.428142666667	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+3H"	3.021828
"658788"	261.138576	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+3H"	3.021828
"1177035"	87.7177093333333	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+3H"	3.021828
"432410"	538.296423	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+NH4"	18.033823
"798873"	798.427723	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+NH4"	18.033823
"1694108"	278.165123	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+NH4"	18.033823
"344574"	269.6518495	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+H+NH4"	19.041099
"737964"	399.7174995	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+H+NH4"	19.041099
"1490813"	139.5861995	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H+NH4"	19.041099
"401839"	543.251818	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+Na"	22.989218
"768547"	803.383118	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+Na"	22.989218
"1610935"	283.120518	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Na"	22.989218
"322067"	272.129547	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+H+Na"	23.996494
"718865"	402.195197	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+H+Na"	23.996494
"1470498"	142.063897	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H+Na"	23.996494
"1058275"	95.0450233333333	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2H+Na"	25.00377
"1263231"	293.164786	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+CH3OH+H"	33.033486
"382904"	559.225758	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+K"	38.963158
"748275"	819.357058	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+K"	38.963158
"1548141"	299.094458	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+K"	38.963158
"307504"	280.116517	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+H+K"	39.970434
"701018"	410.182167	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+H+K"	39.970434
"1451558"	150.050867	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H+K"	39.970434
"237973"	562.296426	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+ACN+H"	42.033826
"1212868"	302.165126	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+ACN+H"	42.033826
"1203311"	151.586201	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+ACN+2H"	43.041102
"197276"	565.23376	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+2Na-H"	44.97116
"636836"	825.36506	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+2Na-H"	44.97116
"1138155"	305.10246	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2Na-H"	44.97116
"176341"	283.120518	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+2Na"	45.978436
"619183"	413.186168	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+2Na"	45.978436
"1116203"	153.054868	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2Na"	45.978436
"1398630"	102.372337333333	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H+2Na"	46.985712
"1430261"	307.144046	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H+HCOOH"	47.012746
"220983"	288.15354	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+3H2O+2H"	56.04448
"1512446"	321.19609	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+IsoProp+H"	61.06479
"411041"	291.107488	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+Na+K"	61.952376
"774222"	421.173138	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+Na+K"	61.952376
"1669826"	161.041838	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Na+K"	61.952376
"252460"	584.278368	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+ACN+Na"	64.015768
"1233071"	324.147068	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+ACN+Na"	64.015768
"1718680"	324.170593	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+NH4+HCOOH"	64.039293
"1184037"	109.699651333333	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+3Na"	68.967654
"1652468"	329.125988	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Na+HCOOH"	68.994688
"162244"	597.18164	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+2K-H"	76.91904
"597795"	857.31294	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+2K-H"	76.91904
"1085214"	337.05034	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2K-H"	76.91904
"142400"	299.094458	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"2M+2K"	77.926316
"581596"	429.160108	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"3M+2K"	77.926316
"1073406"	169.028808	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2K"	77.926316
"1100205"	339.064892	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2K+H"	78.933592
"1336789"	339.152507	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+DMSO+H"	79.021207
"1006415"	343.191676	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2ACN+H"	83.060376
"1524340"	344.185308	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+IsoProp+Na+H"	84.054008
"990143"	172.099476	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+2ACN+2H"	84.067652
"1593893"	345.099928	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+K+HCOOH"	84.968628
"1420645"	375.131438	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+H+CF3COOH"	115.000138
"1148383"	192.612751	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+3ACN+2H"	125.094202
"1699394"	392.157985	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+NH4+CF3COOH"	132.026685
"1636138"	397.11338	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+Na+CF3COOH"	136.98208
"1583818"	413.08732	"C14501"	"NN-Diphenyl-p-phenylenediamine;DPPD"	"C18H16N2"	"260.1313"	"M+K+CF3COOH"	152.95602
"805435"	286.1933	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M"	0
"976782"	267.17491	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-H2O-H"	-19.01839
"73775"	189.788257333333	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M-3H"	-3.021828
"508960"	285.186024	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M-3H"	-3.021828
"887861"	94.3904906666667	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-3H"	-3.021828
"2065"	285.186024	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M-2H"	-2.014552
"442350"	428.282674	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M-2H"	-2.014552
"817712"	142.089374	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-2H"	-2.014552
"79406"	571.379324	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M-H"	-1.007276
"520187"	857.572624	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M-H"	-1.007276
"896283"	285.186024	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-H"	-1.007276
"48716"	588.405871	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M-2H+NH4"	16.019271
"491803"	874.599171	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M-2H+NH4"	16.019271
"867419"	302.212571	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-2H+NH4"	16.019271
"33133"	593.361266	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M-2H+Na"	20.974666
"479254"	879.554566	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M-2H+Na"	20.974666
"849273"	307.167966	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-2H+Na"	20.974666
"1619539"	307.167966	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Na-2H"	20.974666
"94974"	303.174363	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M-H+Cl"	33.962126
"536848"	446.271013	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M-H+Cl"	33.962126
"932552"	160.077713	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-H+Cl"	33.962126
"271471"	607.356002	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+Cl"	34.969402
"661704"	893.549302	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+Cl"	34.969402
"1276665"	321.162702	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Cl"	34.969402
"19220"	609.335206	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M-2H+K"	36.948606
"460608"	895.528506	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M-2H+K"	36.948606
"835491"	323.141906	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-2H+K"	36.948606
"1557884"	323.141906	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+K-2H"	36.948606
"945407"	331.191494	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-H+HCOOH"	44.998194
"362529"	617.384801	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+HCOOH-H"	44.998201
"347506"	631.400451	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+Hac-H"	59.013851
"1494632"	345.207151	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Hac-H"	59.013851
"961324"	353.173451	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-H+NaCOOH"	66.980151
"113151"	321.162702	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+2Cl"	69.938804
"556721"	464.259352	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+2Cl"	69.938804
"1030989"	178.066052	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2Cl"	69.938804
"1248381"	365.112185	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Br"	78.918885
"1307183"	367.168172	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Cl+HCOOH"	80.974872
"1320423"	389.150129	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Cl+NaCOOH"	102.956829
"916467"	399.178886	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M-H+CF3COOH"	112.985586
"1289163"	435.155564	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Cl+CF3COOH"	148.962264
"1382362"	251.180624	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H-2H2O"	-35.012676
"1388478"	269.1906	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H-H2O"	-17.0027
"290351"	573.393876	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+H"	1.007276
"682773"	859.587176	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+H"	1.007276
"1361306"	287.200576	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H"	1.007276
"134200"	287.200576	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+2H"	2.014552
"578134"	430.297226	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+2H"	2.014552
"1042923"	144.103926	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2H"	2.014552
"218484"	191.802809333333	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+3H"	3.021828
"657686"	287.200576	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+3H"	3.021828
"1175445"	96.4050426666667	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+3H"	3.021828
"436531"	590.420423	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+NH4"	18.033823
"801259"	876.613723	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+NH4"	18.033823
"1694584"	304.227123	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+NH4"	18.033823
"344685"	295.7138495	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+H+NH4"	19.041099
"737711"	438.8104995	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+H+NH4"	19.041099
"1491289"	152.6171995	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H+NH4"	19.041099
"401949"	595.375818	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+Na"	22.989218
"768049"	881.569118	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+Na"	22.989218
"1614326"	309.182518	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Na"	22.989218
"323271"	298.191547	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+H+Na"	23.996494
"720069"	441.288197	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+H+Na"	23.996494
"1473889"	155.094897	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H+Na"	23.996494
"1061667"	103.732356666667	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2H+Na"	25.00377
"1266622"	319.226786	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+CH3OH+H"	33.033486
"389941"	611.349758	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+K"	38.963158
"747292"	897.543058	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+K"	38.963158
"1552625"	325.156458	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+K"	38.963158
"309802"	306.178517	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+H+K"	39.970434
"702221"	449.275167	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+H+K"	39.970434
"1454949"	163.081867	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H+K"	39.970434
"242457"	614.420426	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+ACN+H"	42.033826
"1216259"	328.227126	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+ACN+H"	42.033826
"1205608"	164.617201	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+ACN+2H"	43.041102
"197389"	617.35776	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+2Na-H"	44.97116
"642418"	903.55106	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+2Na-H"	44.97116
"1143737"	331.16446	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2Na-H"	44.97116
"180827"	309.182518	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+2Na"	45.978436
"622212"	452.279168	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+2Na"	45.978436
"1116844"	166.085868	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2Na"	45.978436
"1399761"	111.059670666667	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H+2Na"	46.985712
"1432970"	333.206046	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H+HCOOH"	47.012746
"221079"	314.21554	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+3H2O+2H"	56.04448
"1512919"	347.25809	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+IsoProp+H"	61.06479
"409686"	317.169488	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+Na+K"	61.952376
"773601"	460.266138	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+Na+K"	61.952376
"1668841"	174.072838	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Na+K"	61.952376
"252813"	636.402368	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+ACN+Na"	64.015768
"1234274"	350.209068	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+ACN+Na"	64.015768
"1719152"	350.232593	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+NH4+HCOOH"	64.039293
"1179034"	118.386984666667	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+3Na"	68.967654
"1650750"	355.187988	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Na+HCOOH"	68.994688
"158339"	649.30564	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+2K-H"	76.91904
"598991"	935.49894	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+2K-H"	76.91904
"1086541"	363.11234	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2K-H"	76.91904
"143235"	325.156458	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"2M+2K"	77.926316
"584256"	468.253108	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"3M+2K"	77.926316
"1071683"	182.059808	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2K"	77.926316
"1101370"	365.126892	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2K+H"	78.933592
"1336787"	365.214507	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+DMSO+H"	79.021207
"1008355"	369.253676	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2ACN+H"	83.060376
"1524651"	370.247308	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+IsoProp+Na+H"	84.054008
"990257"	185.130476	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+2ACN+2H"	84.067652
"1589627"	371.161928	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+K+HCOOH"	84.968628
"1415162"	401.193438	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+H+CF3COOH"	115.000138
"1147520"	205.643751	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+3ACN+2H"	125.094202
"1699504"	418.219985	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+NH4+CF3COOH"	132.026685
"1636248"	423.17538	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+Na+CF3COOH"	136.98208
"1583928"	439.14932	"C14502"	"Boldenone;17beta-Boldenone"	"C19H26O2"	"286.1933"	"M+K+CF3COOH"	152.95602
"804452"	356.2351	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M"	0
"976527"	337.21671	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-H2O-H"	-19.01839
"73885"	236.482790666667	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M-3H"	-3.021828
"509070"	355.227824	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M-3H"	-3.021828
"890156"	117.737757333333	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-3H"	-3.021828
"2539"	355.227824	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M-2H"	-2.014552
"442460"	533.345374	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M-2H"	-2.014552
"817421"	177.110274	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-2H"	-2.014552
"79272"	711.462924	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M-H"	-1.007276
"520540"	1067.698024	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M-H"	-1.007276
"896148"	355.227824	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-H"	-1.007276
"47734"	728.489471	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M-2H+NH4"	16.019271
"493007"	1084.724571	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M-2H+NH4"	16.019271
"868622"	372.254371	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-2H+NH4"	16.019271
"33243"	733.444866	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M-2H+Na"	20.974666
"481551"	1089.679966	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M-2H+Na"	20.974666
"849874"	377.209766	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-2H+Na"	20.974666
"1620139"	377.209766	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Na-2H"	20.974666
"95208"	373.216163	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M-H+Cl"	33.962126
"537322"	551.333713	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M-H+Cl"	33.962126
"930841"	195.098613	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-H+Cl"	33.962126
"271583"	747.439602	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+Cl"	34.969402
"665460"	1103.674702	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+Cl"	34.969402
"1276048"	391.204502	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Cl"	34.969402
"18722"	749.418806	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M-2H+K"	36.948606
"461811"	1105.653906	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M-2H+K"	36.948606
"835601"	393.183706	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-2H+K"	36.948606
"1557995"	393.183706	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+K-2H"	36.948606
"945517"	401.233294	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-H+HCOOH"	44.998194
"363367"	757.468401	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+HCOOH-H"	44.998201
"347615"	771.484051	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+Hac-H"	59.013851
"1492997"	415.248951	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Hac-H"	59.013851
"959247"	423.215251	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-H+NaCOOH"	66.980151
"113625"	391.204502	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+2Cl"	69.938804
"553551"	569.322052	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+2Cl"	69.938804
"1024903"	213.086952	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2Cl"	69.938804
"1244117"	435.153985	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Br"	78.918885
"1306929"	437.209972	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Cl+HCOOH"	80.974872
"1320414"	459.191929	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Cl+NaCOOH"	102.956829
"912197"	469.220686	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M-H+CF3COOH"	112.985586
"1288617"	505.197364	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Cl+CF3COOH"	148.962264
"1372182"	321.222424	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H-2H2O"	-35.012676
"1388586"	339.2324	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H-H2O"	-17.0027
"284991"	713.477476	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+H"	1.007276
"679598"	1069.712576	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+H"	1.007276
"1357041"	357.242376	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H"	1.007276
"129928"	357.242376	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+2H"	2.014552
"574964"	535.359926	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+2H"	2.014552
"1043762"	179.124826	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2H"	2.014552
"218958"	238.497342666667	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+3H"	3.021828
"659700"	357.242376	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+3H"	3.021828
"1177135"	119.752309333333	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+3H"	3.021828
"433723"	730.504023	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+NH4"	18.033823
"799823"	1086.739123	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+NH4"	18.033823
"1687767"	374.268923	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+NH4"	18.033823
"342605"	365.7556495	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+H+NH4"	19.041099
"736483"	543.8731995	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+H+NH4"	19.041099
"1489575"	187.6380995	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H+NH4"	19.041099
"404610"	735.459418	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+Na"	22.989218
"766334"	1091.694518	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+Na"	22.989218
"1613342"	379.224318	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Na"	22.989218
"324474"	368.233347	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+H+Na"	23.996494
"717990"	546.350897	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+H+Na"	23.996494
"1476185"	190.115797	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H+Na"	23.996494
"1062869"	127.079623333333	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2H+Na"	25.00377
"1267825"	389.268586	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+CH3OH+H"	33.033486
"385311"	751.433358	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+K"	38.963158
"747403"	1107.668458	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+K"	38.963158
"1549454"	395.198258	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+K"	38.963158
"311005"	376.220317	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+H+K"	39.970434
"702331"	554.337867	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+H+K"	39.970434
"1455059"	198.102767	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H+K"	39.970434
"241474"	754.504026	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+ACN+H"	42.033826
"1217462"	398.268926	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+ACN+H"	42.033826
"1204628"	199.638101	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+ACN+2H"	43.041102
"200780"	757.44136	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+2Na-H"	44.97116
"642528"	1113.67646	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+2Na-H"	44.97116
"1143847"	401.20626	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2Na-H"	44.97116
"182760"	379.224318	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+2Na"	45.978436
"621229"	557.341868	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+2Na"	45.978436
"1119628"	201.106768	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2Na"	45.978436
"1403152"	134.406937333333	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H+2Na"	46.985712
"1435267"	403.247846	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H+HCOOH"	47.012746
"220107"	384.25734	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+3H2O+2H"	56.04448
"1508773"	417.29989	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+IsoProp+H"	61.06479
"409058"	387.211288	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+Na+K"	61.952376
"772252"	565.328838	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+Na+K"	61.952376
"1667857"	209.093738	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Na+K"	61.952376
"253287"	776.485968	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+ACN+Na"	64.015768
"1234384"	420.250868	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+ACN+Na"	64.015768
"1719262"	420.274393	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+NH4+HCOOH"	64.039293
"1180970"	141.734251333333	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+3Na"	68.967654
"1650616"	425.229788	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Na+HCOOH"	68.994688
"158083"	789.38924	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+2K-H"	76.91904
"600561"	1145.62434	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+2K-H"	76.91904
"1085435"	433.15414	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2K-H"	76.91904
"143711"	395.198258	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"2M+2K"	77.926316
"582663"	573.315808	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"3M+2K"	77.926316
"1070336"	217.080708	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2K"	77.926316
"1102334"	435.168692	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2K+H"	78.933592
"1336649"	435.256307	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+DMSO+H"	79.021207
"1007614"	439.295476	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2ACN+H"	83.060376
"1526590"	440.289108	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+IsoProp+Na+H"	84.054008
"990357"	220.151376	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+2ACN+2H"	84.067652
"1590465"	441.203728	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+K+HCOOH"	84.968628
"1415394"	471.235238	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+H+CF3COOH"	115.000138
"1148237"	240.664651	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+3ACN+2H"	125.094202
"1699614"	488.261785	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+NH4+CF3COOH"	132.026685
"1636358"	493.21718	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+Na+CF3COOH"	136.98208
"1584038"	509.19112	"C14503"	"16-Dehydropregnenolone acetate;3beta-Acetyloxy-pregna-516-dien-20-one"	"C23H32O3"	"356.2351"	"M+K+CF3COOH"	152.95602
"804562"	334.2144	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M"	0
"977002"	315.19601	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"73995"	221.802324	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"510274"	333.207124	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"886987"	110.397524	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"825"	333.207124	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"440000"	500.314324	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"817816"	166.099924	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"78774"	667.421524	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"518653"	1001.635924	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"896261"	333.207124	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"49546"	684.448071	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"495304"	1018.662471	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"867638"	350.233671	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"33716"	689.403466	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"483849"	1023.617866	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"848931"	355.189066	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1619156"	355.189066	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"94504"	351.195463	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"539984"	518.302663	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"934230"	184.088263	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"277160"	703.398202	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"666300"	1037.612602	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1275794"	369.183802	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"17983"	705.377406	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"460461"	1039.591806	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"835348"	371.163006	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1555913"	371.163006	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"944532"	379.212594	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"363842"	713.427001	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"349912"	727.442651	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1493634"	393.228251	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"959114"	401.194551	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"111914"	369.183802	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"555847"	536.291002	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1030116"	202.076602	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1244591"	413.133285	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1308862"	415.189272	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1323441"	437.171229	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"913040"	447.199986	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1293027"	483.176664	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1370105"	299.201724	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1384686"	317.2117	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"284370"	669.436076	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"677522"	1003.650476	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1357151"	335.221676	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"130038"	335.221676	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"568508"	502.328876	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1039860"	168.114476	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"207032"	223.816876	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"659858"	335.221676	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1177002"	112.412076	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"437115"	686.462623	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"798472"	1020.677023	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1694805"	352.248223	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"339432"	343.7349495	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"735134"	510.8421495	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1486769"	176.6277495	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"399980"	691.418018	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"767538"	1025.632418	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1606891"	357.203618	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"325676"	346.212647	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"721378"	513.319847	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1469733"	179.105447	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1061885"	119.73939	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1267935"	367.247886	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"385420"	707.391958	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"744231"	1041.606358	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1549563"	373.177558	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"306741"	354.199617	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"705721"	521.306817	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1452981"	187.092417	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"244864"	710.462626	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1218669"	376.248226	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1204739"	188.627751	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"201984"	713.39996	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"639358"	1047.61436	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1142496"	379.18556	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"177037"	357.203618	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"615866"	524.310818	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1119739"	190.096418	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1401075"	127.066704	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1434648"	381.227146	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"220287"	362.23664	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1509491"	395.27919	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"408687"	365.190588	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"772362"	532.297788	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1668693"	198.083388	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"253762"	732.444568	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1236680"	398.230168	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1716092"	398.253693	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1181444"	134.394018	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1650727"	403.209088	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"157339"	745.34784	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"600671"	1079.56224	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1085912"	411.13344	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"143093"	373.177558	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"582653"	540.284758	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1070082"	206.070358	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1101228"	413.147992	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1337858"	413.235607	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1005718"	417.274776	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1525604"	418.268408	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"990961"	209.141026	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1588013"	419.183028	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1414564"	449.214538	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1147981"	229.654301	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1699724"	466.241085	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1636468"	471.19648	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1584148"	487.17042	"C14504"	"Di-n-hexyl phthalate;Dihexyl 12-benzenedicarboxylate;Dihexyl phthalate"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"804672"	446.3396	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M"	0
"976019"	427.32121	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-H2O-H"	-19.01839
"67543"	296.552457333333	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M-3H"	-3.021828
"509291"	445.332324	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M-3H"	-3.021828
"888191"	147.772590666667	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-3H"	-3.021828
"934"	445.332324	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M-2H"	-2.014552
"440857"	668.502124	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M-2H"	-2.014552
"817396"	222.162524	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-2H"	-2.014552
"79860"	891.671924	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M-H"	-1.007276
"518763"	1338.011524	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M-H"	-1.007276
"896615"	445.332324	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-H"	-1.007276
"50020"	908.698471	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M-2H+NH4"	16.019271
"496506"	1355.038071	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M-2H+NH4"	16.019271
"872122"	462.358871	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-2H+NH4"	16.019271
"34922"	913.653866	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M-2H+Na"	20.974666
"481771"	1359.993466	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M-2H+Na"	20.974666
"850824"	467.314266	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-2H+Na"	20.974666
"1618689"	467.314266	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Na-2H"	20.974666
"94449"	463.320663	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M-H+Cl"	33.962126
"536083"	686.490463	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M-H+Cl"	33.962126
"934340"	240.150863	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-H+Cl"	33.962126
"279457"	927.648602	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+Cl"	34.969402
"668597"	1373.988202	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+Cl"	34.969402
"1276268"	481.309002	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Cl"	34.969402
"16312"	929.627806	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M-2H+K"	36.948606
"458385"	1375.967406	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M-2H+K"	36.948606
"835459"	483.288206	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-2H+K"	36.948606
"1555783"	483.288206	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+K-2H"	36.948606
"944643"	491.337794	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-H+HCOOH"	44.998194
"363952"	937.677401	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+HCOOH-H"	44.998201
"350022"	951.693051	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+Hac-H"	59.013851
"1492827"	505.353451	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Hac-H"	59.013851
"959467"	513.319751	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-H+NaCOOH"	66.980151
"113117"	481.309002	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+2Cl"	69.938804
"555959"	704.478802	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+2Cl"	69.938804
"1030227"	258.139202	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2Cl"	69.938804
"1242149"	525.258485	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Br"	78.918885
"1312251"	527.314472	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Cl+HCOOH"	80.974872
"1323187"	549.296429	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Cl+NaCOOH"	102.956829
"915337"	559.325186	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M-H+CF3COOH"	112.985586
"1298604"	595.301864	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Cl+CF3COOH"	148.962264
"1372402"	411.326924	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H-2H2O"	-35.012676
"1384432"	429.3369	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H-H2O"	-17.0027
"283387"	893.686476	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+H"	1.007276
"676539"	1340.026076	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+H"	1.007276
"1356168"	447.346876	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H"	1.007276
"129055"	447.346876	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+2H"	2.014552
"567889"	670.516676	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+2H"	2.014552
"1039605"	224.177076	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2H"	2.014552
"211882"	298.567009333333	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+3H"	3.021828
"659717"	447.346876	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+3H"	3.021828
"1176502"	149.787142666667	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+3H"	3.021828
"437954"	910.713023	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+NH4"	18.033823
"798582"	1357.052623	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+NH4"	18.033823
"1686527"	464.373423	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+NH4"	18.033823
"335532"	455.8601495	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+H+NH4"	19.041099
"728686"	679.0299495	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+H+NH4"	19.041099
"1482506"	232.6903495	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H+NH4"	19.041099
"403373"	915.668418	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+Na"	22.989218
"762182"	1362.008018	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+Na"	22.989218
"1607000"	469.328818	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Na"	22.989218
"319225"	458.337847	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+H+Na"	23.996494
"717114"	681.507647	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+H+Na"	23.996494
"1469842"	235.168047	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H+Na"	23.996494
"1059807"	157.114456666667	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2H+Na"	25.00377
"1263673"	479.373086	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+CH3OH+H"	33.033486
"386624"	931.642358	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+K"	38.963158
"745435"	1377.981958	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+K"	38.963158
"1547486"	485.302758	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+K"	38.963158
"305756"	466.324817	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+H+K"	39.970434
"704738"	689.494617	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+H+K"	39.970434
"1456372"	243.155017	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H+K"	39.970434
"247161"	934.713026	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+ACN+H"	42.033826
"1220967"	488.373426	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+ACN+H"	42.033826
"1204850"	244.690351	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+ACN+2H"	43.041102
"201001"	937.65036	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+2Na-H"	44.97116
"636188"	1383.98996	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+2Na-H"	44.97116
"1141877"	491.31076	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2Na-H"	44.97116
"174960"	469.328818	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+2Na"	45.978436
"614885"	692.498618	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+2Na"	45.978436
"1116117"	246.159018	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2Na"	45.978436
"1398789"	164.441770666667	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H+2Na"	46.985712
"1432570"	493.352346	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H+HCOOH"	47.012746
"220357"	474.36184	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+3H2O+2H"	56.04448
"1508677"	507.40439	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+IsoProp+H"	61.06479
"408879"	477.315788	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+Na+K"	61.952376
"771741"	700.485588	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+Na+K"	61.952376
"1666985"	254.145988	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Na+K"	61.952376
"252163"	956.694968	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+ACN+Na"	64.015768
"1225892"	510.355368	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+ACN+Na"	64.015768
"1713038"	510.378893	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+NH4+HCOOH"	64.039293
"1178710"	171.769084666667	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+3Na"	68.967654
"1649975"	515.334288	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Na+HCOOH"	68.994688
"157244"	969.59824	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+2K-H"	76.91904
"598585"	1415.93784	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+2K-H"	76.91904
"1084638"	523.25864	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2K-H"	76.91904
"141902"	485.302758	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"2M+2K"	77.926316
"581743"	708.472558	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"3M+2K"	77.926316
"1069335"	262.132958	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2K"	77.926316
"1100317"	525.273192	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2K+H"	78.933592
"1335729"	525.360807	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+DMSO+H"	79.021207
"1006119"	529.399976	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2ACN+H"	83.060376
"1525717"	530.393608	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+IsoProp+Na+H"	84.054008
"990219"	265.203626	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+2ACN+2H"	84.067652
"1587508"	531.308228	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+K+HCOOH"	84.968628
"1414636"	561.339738	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+H+CF3COOH"	115.000138
"1148091"	285.716901	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+3ACN+2H"	125.094202
"1699834"	578.366285	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+NH4+CF3COOH"	132.026685
"1636578"	583.32168	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+Na+CF3COOH"	136.98208
"1584258"	599.29562	"C14505"	"Di-n-decyl phthalate;Didecyl phthalate;Didecyl 12-Benzenedicarboxylate"	"C28H46O4"	"446.3396"	"M+K+CF3COOH"	152.95602
"814625"	213.0557	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M"	0
"988894"	194.03731	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-H2O-H"	-19.01839
"74217"	141.029857333333	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M-3H"	-3.021828
"513776"	212.048424	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M-3H"	-3.021828
"887212"	70.0112906666667	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-3H"	-3.021828
"1411"	212.048424	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M-2H"	-2.014552
"443156"	318.576274	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M-2H"	-2.014552
"817915"	105.520574	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-2H"	-2.014552
"80582"	425.104124	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M-H"	-1.007276
"519043"	638.159824	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M-H"	-1.007276
"897944"	212.048424	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-H"	-1.007276
"49767"	442.130671	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M-2H+NH4"	16.019271
"492245"	655.186371	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M-2H+NH4"	16.019271
"866765"	229.074971	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-2H+NH4"	16.019271
"33573"	447.086066	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M-2H+Na"	20.974666
"476053"	660.141766	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M-2H+Na"	20.974666
"851667"	234.030366	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-2H+Na"	20.974666
"1621200"	234.030366	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Na-2H"	20.974666
"98096"	230.036763	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M-H+Cl"	33.962126
"536562"	336.564613	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M-H+Cl"	33.962126
"934453"	123.508913	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-H+Cl"	33.962126
"280545"	461.080802	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+Cl"	34.969402
"667621"	674.136502	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+Cl"	34.969402
"1276378"	248.025102	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Cl"	34.969402
"24769"	463.060006	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M-2H+K"	36.948606
"461049"	676.115706	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M-2H+K"	36.948606
"843227"	250.004306	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-2H+K"	36.948606
"1561247"	250.004306	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+K-2H"	36.948606
"951317"	258.053894	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-H+HCOOH"	44.998194
"366251"	471.109601	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+HCOOH-H"	44.998201
"346243"	485.125251	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+Hac-H"	59.013851
"1493047"	272.069551	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Hac-H"	59.013851
"958851"	280.035851	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-H+NaCOOH"	66.980151
"110029"	248.025102	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+2Cl"	69.938804
"551329"	354.552952	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+2Cl"	69.938804
"1022066"	141.497252	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2Cl"	69.938804
"1241530"	291.974585	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Br"	78.918885
"1313457"	294.030572	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Cl+HCOOH"	80.974872
"1326580"	316.012529	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Cl+NaCOOH"	102.956829
"915451"	326.041286	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M-H+CF3COOH"	112.985586
"1289970"	362.017964	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Cl+CF3COOH"	148.962264
"1375795"	178.043024	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H-2H2O"	-35.012676
"1384543"	196.053	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H-H2O"	-17.0027
"289698"	427.118676	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+H"	1.007276
"683212"	640.174376	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+H"	1.007276
"1360655"	214.062976	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H"	1.007276
"134640"	214.062976	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+2H"	2.014552
"579424"	320.590826	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+2H"	2.014552
"1048464"	107.535126	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2H"	2.014552
"217473"	143.044409333333	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+3H"	3.021828
"658978"	214.062976	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+3H"	3.021828
"1176244"	72.0258426666667	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+3H"	3.021828
"435142"	444.145223	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+NH4"	18.033823
"800269"	657.200923	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+NH4"	18.033823
"1690284"	231.089523	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+NH4"	18.033823
"338560"	222.5762495	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+H+NH4"	19.041099
"732074"	329.1040995	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+H+NH4"	19.041099
"1485893"	116.0483995	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H+NH4"	19.041099
"400201"	449.100618	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+Na"	22.989218
"759012"	662.156318	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+Na"	22.989218
"1609298"	236.044918	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Na"	22.989218
"317148"	225.053947	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+H+Na"	23.996494
"709570"	331.581797	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+H+Na"	23.996494
"1464117"	118.526097	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H+Na"	23.996494
"1063197"	79.3531566666667	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2H+Na"	25.00377
"1264877"	246.089186	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+CH3OH+H"	33.033486
"384546"	465.074558	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+K"	38.963158
"742261"	678.130258	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+K"	38.963158
"1540304"	252.018858	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+K"	38.963158
"304773"	233.040917	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+H+K"	39.970434
"699381"	339.568767	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+H+K"	39.970434
"1448828"	126.513067	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H+K"	39.970434
"241804"	468.145226	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+ACN+H"	42.033826
"1218888"	255.089526	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+ACN+H"	42.033826
"1203864"	128.048401	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+ACN+2H"	43.041102
"195644"	471.08256	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+2Na-H"	44.97116
"632285"	684.13826	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+2Na-H"	44.97116
"1132143"	258.02686	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2Na-H"	44.97116
"175432"	236.044918	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+2Na"	45.978436
"613779"	342.572768	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+2Na"	45.978436
"1118864"	129.517068	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2Na"	45.978436
"1399349"	86.6804706666667	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H+2Na"	46.985712
"1430286"	260.068446	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H+HCOOH"	47.012746
"220546"	241.07794	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+3H2O+2H"	56.04448
"1508729"	274.12049	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+IsoProp+H"	61.06479
"409018"	244.031888	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+Na+K"	61.952376
"770620"	350.559738	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+Na+K"	61.952376
"1665792"	137.504038	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Na+K"	61.952376
"253616"	490.127168	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+ACN+Na"	64.015768
"1234714"	277.071468	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+ACN+Na"	64.015768
"1717039"	277.094993	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+NH4+HCOOH"	64.039293
"1179477"	94.0077846666667	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+3Na"	68.967654
"1650086"	282.050388	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Na+HCOOH"	68.994688
"157229"	503.03044	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+2K-H"	76.91904
"597197"	716.08614	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+2K-H"	76.91904
"1085163"	289.97474	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2K-H"	76.91904
"141970"	252.018858	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"2M+2K"	77.926316
"582258"	358.546708	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"3M+2K"	77.926316
"1068605"	145.491008	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2K"	77.926316
"1100021"	291.989292	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2K+H"	78.933592
"1335701"	292.076907	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+DMSO+H"	79.021207
"1005790"	296.116076	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2ACN+H"	83.060376
"1524199"	297.109708	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+IsoProp+Na+H"	84.054008
"989963"	148.561676	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+2ACN+2H"	84.067652
"1587138"	298.024328	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+K+HCOOH"	84.968628
"1415724"	328.055838	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+H+CF3COOH"	115.000138
"1147717"	169.074951	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+3ACN+2H"	125.094202
"1698238"	345.082385	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+NH4+CF3COOH"	132.026685
"1636688"	350.03778	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+Na+CF3COOH"	136.98208
"1584368"	366.01172	"C14506"	"Chlorpropham;Chloropropham;N-3-Chlorophenylisopropylcarbamate"	"C10H12ClNO2"	"213.0557"	"M+K+CF3COOH"	152.95602
"804892"	214.063	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M"	0
"984987"	195.04461	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"69950"	141.701390666667	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"506231"	213.055724	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"890597"	70.3470573333333	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"2615"	213.055724	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"445453"	320.087224	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"818509"	106.024224	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"81057"	427.118724	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"519761"	641.181724	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"897079"	213.055724	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"48173"	444.145271	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"490533"	658.208271	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"866145"	230.082271	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"33925"	449.100666	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"476163"	663.163666	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"852506"	235.037666	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1623133"	235.037666	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"98206"	231.044063	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"544329"	338.075563	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"936750"	124.012563	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"272027"	463.095402	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"665543"	677.158402	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1282324"	249.032402	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"22693"	465.074606	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"463348"	679.137606	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"836775"	251.011606	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1559170"	251.011606	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"950333"	259.061194	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"368549"	473.124201	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"348057"	487.139851	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1493353"	273.076851	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"959318"	281.043151	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"110155"	249.032402	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"551805"	356.063902	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1022791"	142.000902	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1241882"	292.981885	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1313567"	295.037872	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1326690"	317.019829	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"915561"	327.048586	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1290081"	363.025264	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1375905"	179.050324	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1384653"	197.0603	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"289808"	429.133276	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"681136"	643.196276	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1357485"	215.070276	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H"	1.007276
"133655"	215.070276	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"573214"	322.101776	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1048574"	108.038776	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"218310"	143.715942666667	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"659576"	215.070276	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1175260"	72.3616093333333	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"431607"	446.159823	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"798435"	660.222823	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1690395"	232.096823	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"339764"	223.5835495	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"733276"	330.6150495	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1486003"	116.5520495	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"402499"	451.115218	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"758029"	665.178218	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1609408"	237.052218	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"318352"	226.061247	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"714054"	333.092747	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1468966"	119.029747	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1058934"	79.6889233333333	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1266081"	247.096486	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"386843"	467.089158	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"740183"	681.152158	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1541142"	253.026158	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+K"	38.963158
"300872"	234.048217	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"692200"	341.079717	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1450031"	127.016717	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"241914"	470.159826	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1215719"	256.096826	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1203976"	128.552051	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"199032"	473.09716	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"632395"	687.16016	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1132083"	259.03416	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"173719"	237.052218	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"614010"	344.083718	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1116294"	130.020718	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1399576"	87.0162373333333	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1430961"	261.075746	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"220780"	242.08524	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1508964"	275.12779	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"408893"	245.039188	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"770380"	352.070688	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1669026"	138.007688	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"252142"	492.141768	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1232637"	278.078768	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1716419"	278.102293	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1179587"	94.3435513333333	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1649953"	283.057688	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"157667"	505.04504	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"597591"	719.10804	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1084281"	290.98204	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"142322"	253.026158	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"582124"	360.057658	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1068825"	145.994658	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1101189"	292.996592	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1336480"	293.084207	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1005857"	297.123376	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1524385"	298.117008	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"990190"	149.065326	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1587126"	299.031628	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1416928"	329.063138	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1149406"	169.578601	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1698226"	346.089685	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1636798"	351.04508	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1577917"	367.01902	"C14507"	"Diphenyl carbonate"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"805002"	120.0939	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M"	0
"985097"	101.07551	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-H2O-H"	-19.01839
"70060"	79.055324	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M-3H"	-3.021828
"506340"	119.086624	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M-3H"	-3.021828
"893866"	39.024024	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-3H"	-3.021828
"6005"	119.086624	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M-2H"	-2.014552
"445565"	179.133574	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M-2H"	-2.014552
"821544"	59.039674	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-2H"	-2.014552
"83721"	239.180524	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M-H"	-1.007276
"522188"	359.274424	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M-H"	-1.007276
"900354"	119.086624	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-H"	-1.007276
"49990"	256.207071	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M-2H+NH4"	16.019271
"490644"	376.300971	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M-2H+NH4"	16.019271
"865650"	136.113171	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-2H+NH4"	16.019271
"35981"	261.162466	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M-2H+Na"	20.974666
"475180"	381.256366	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M-2H+Na"	20.974666
"854076"	141.068566	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-2H+Na"	20.974666
"1625068"	141.068566	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Na-2H"	20.974666
"103785"	137.074963	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M-H+Cl"	33.962126
"542253"	197.121913	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M-H+Cl"	33.962126
"936861"	77.028013	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-H+Cl"	33.962126
"273230"	275.157202	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+Cl"	34.969402
"664560"	395.251102	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+Cl"	34.969402
"1286446"	155.063302	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Cl"	34.969402
"30461"	277.136406	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M-2H+K"	36.948606
"466739"	397.230306	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M-2H+K"	36.948606
"842355"	157.042506	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-2H+K"	36.948606
"1560373"	157.042506	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+K-2H"	36.948606
"951536"	165.092094	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-H+HCOOH"	44.998194
"369752"	285.186001	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+HCOOH-H"	44.998201
"353636"	299.201651	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+Hac-H"	59.013851
"1499187"	179.107751	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Hac-H"	59.013851
"962354"	187.074051	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-H+NaCOOH"	66.980151
"115636"	155.063302	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+2Cl"	69.938804
"555197"	215.110252	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+2Cl"	69.938804
"1027276"	95.016352	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2Cl"	69.938804
"1249042"	199.012785	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Br"	78.918885
"1314771"	201.068772	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Cl+HCOOH"	80.974872
"1326800"	223.050729	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Cl+NaCOOH"	102.956829
"915671"	233.079486	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M-H+CF3COOH"	112.985586
"1289826"	269.056164	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Cl+CF3COOH"	148.962264
"1376016"	85.081224	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H-2H2O"	-35.012676
"1392419"	103.0912	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H-H2O"	-17.0027
"291012"	241.195076	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+H"	1.007276
"689266"	361.288976	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+H"	1.007276
"1360875"	121.101176	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H"	1.007276
"134860"	121.101176	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+2H"	2.014552
"575511"	181.148126	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+2H"	2.014552
"1045404"	61.054226	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2H"	2.014552
"219273"	81.069876	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+3H"	3.021828
"659523"	121.101176	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+3H"	3.021828
"1173185"	41.038576	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+3H"	3.021828
"437551"	258.221623	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+NH4"	18.033823
"796363"	378.315523	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+NH4"	18.033823
"1693421"	138.127723	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+NH4"	18.033823
"340965"	129.6144495	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+H+NH4"	19.041099
"729013"	189.6613995	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+H+NH4"	19.041099
"1483928"	69.5674995	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H+NH4"	19.041099
"394956"	263.177018	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+Na"	22.989218
"760326"	383.270918	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+Na"	22.989218
"1608425"	143.083118	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Na"	22.989218
"317368"	132.092147	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+H+Na"	23.996494
"716351"	192.139097	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+H+Na"	23.996494
"1470170"	72.045197	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H+Na"	23.996494
"1059044"	48.36589	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2H+Na"	25.00377
"1269472"	153.127386	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+CH3OH+H"	33.033486
"388777"	279.150958	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+K"	38.963158
"740415"	399.244858	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+K"	38.963158
"1543441"	159.057058	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+K"	38.963158
"300618"	140.079117	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+H+K"	39.970434
"696683"	200.126067	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+H+K"	39.970434
"1450141"	80.032167	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H+K"	39.970434
"247490"	282.221626	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+ACN+H"	42.033826
"1218012"	162.127726	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+ACN+H"	42.033826
"1206270"	81.567501	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+ACN+2H"	43.041102
"192584"	285.15896	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+2Na-H"	44.97116
"632142"	405.25286	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+2Na-H"	44.97116
"1133461"	165.06506	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2Na-H"	44.97116
"173706"	143.083118	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+2Na"	45.978436
"614485"	203.130068	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+2Na"	45.978436
"1116892"	83.036168	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2Na"	45.978436
"1400543"	55.693204	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H+2Na"	46.985712
"1430468"	167.106646	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H+HCOOH"	47.012746
"221015"	148.11614	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+3H2O+2H"	56.04448
"1509316"	181.15869	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+H"	61.06479
"409247"	151.070088	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+Na+K"	61.952376
"770247"	211.117038	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+Na+K"	61.952376
"1666702"	91.023138	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Na+K"	61.952376
"252251"	304.203568	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+ACN+Na"	64.015768
"1231654"	184.109668	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+ACN+Na"	64.015768
"1715440"	184.133193	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+NH4+HCOOH"	64.039293
"1181887"	63.020518	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+3Na"	68.967654
"1650065"	189.088588	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Na+HCOOH"	68.994688
"157415"	317.10684	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+2K-H"	76.91904
"597339"	437.20074	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+2K-H"	76.91904
"1085139"	197.01294	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2K-H"	76.91904
"143645"	159.057058	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"2M+2K"	77.926316
"583328"	219.104008	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"3M+2K"	77.926316
"1068939"	99.010108	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2K"	77.926316
"1100685"	199.027492	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2K+H"	78.933592
"1336220"	199.115107	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+DMSO+H"	79.021207
"1006087"	203.154276	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2ACN+H"	83.060376
"1524577"	204.147908	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+Na+H"	84.054008
"990658"	102.080776	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+2ACN+2H"	84.067652
"1587355"	205.062528	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+K+HCOOH"	84.968628
"1415945"	235.094038	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+H+CF3COOH"	115.000138
"1149517"	122.594051	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+3ACN+2H"	125.094202
"1698337"	252.120585	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+NH4+CF3COOH"	132.026685
"1636908"	257.07598	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+Na+CF3COOH"	136.98208
"1578027"	273.04992	"C14508"	"Mesitylene;135-Trimethylbenzene"	"C9H12"	"120.0939"	"M+K+CF3COOH"	152.95602
"805112"	200.214	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M"	0
"985207"	181.19561	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-H2O-H"	-19.01839
"67983"	132.468724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M-3H"	-3.021828
"508637"	199.206724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M-3H"	-3.021828
"891911"	65.730724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-3H"	-3.021828
"1008"	199.206724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M-2H"	-2.014552
"442758"	299.313724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M-2H"	-2.014552
"819095"	99.099724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-2H"	-2.014552
"82005"	399.420724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M-H"	-1.007276
"522292"	599.634724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M-H"	-1.007276
"897543"	199.206724	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-H"	-1.007276
"49005"	416.447271	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M-2H+NH4"	16.019271
"490024"	616.661271	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M-2H+NH4"	16.019271
"866125"	216.233271	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-2H+NH4"	16.019271
"33053"	421.402666	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M-2H+Na"	20.974666
"475290"	621.616666	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M-2H+Na"	20.974666
"852000"	221.188666	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-2H+Na"	20.974666
"1620803"	221.188666	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Na-2H"	20.974666
"101708"	217.195063	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M-H+Cl"	33.962126
"542363"	317.302063	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M-H+Cl"	33.962126
"936971"	117.088063	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-H+Cl"	33.962126
"275527"	435.397402	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+Cl"	34.969402
"666857"	635.611402	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+Cl"	34.969402
"1287286"	235.183402	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Cl"	34.969402
"29964"	437.376606	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M-2H+K"	36.948606
"467942"	637.590606	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M-2H+K"	36.948606
"844651"	237.162606	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-2H+K"	36.948606
"1560483"	237.162606	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+K-2H"	36.948606
"951646"	245.212194	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-H+HCOOH"	44.998194
"370955"	445.426201	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+HCOOH-H"	44.998201
"355934"	459.441851	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+Hac-H"	59.013851
"1499298"	259.227851	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Hac-H"	59.013851
"967932"	267.194151	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-H+NaCOOH"	66.980151
"117933"	235.183402	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+2Cl"	69.938804
"555307"	335.290402	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+2Cl"	69.938804
"1028480"	135.076402	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2Cl"	69.938804
"1252433"	279.132885	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Br"	78.918885
"1317070"	281.188872	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Cl+HCOOH"	80.974872
"1332378"	303.170829	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Cl+NaCOOH"	102.956829
"919062"	313.199586	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M-H+CF3COOH"	112.985586
"1296863"	349.176264	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Cl+CF3COOH"	148.962264
"1372845"	165.201324	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H-2H2O"	-35.012676
"1387060"	183.2113	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H-H2O"	-17.0027
"287111"	401.435276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+H"	1.007276
"676737"	601.649276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+H"	1.007276
"1357705"	201.221276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H"	1.007276
"129500"	201.221276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+2H"	2.014552
"569422"	301.328276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+2H"	2.014552
"1045514"	101.114276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2H"	2.014552
"210134"	134.483276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+3H"	3.021828
"647867"	201.221276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+3H"	3.021828
"1165633"	67.745276	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+3H"	3.021828
"439776"	418.461823	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+NH4"	18.033823
"801297"	618.675823	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+NH4"	18.033823
"1693897"	218.247823	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+NH4"	18.033823
"343266"	209.7345495	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+H+NH4"	19.041099
"730217"	309.8415495	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+H+NH4"	19.041099
"1481851"	109.6275495	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H+NH4"	19.041099
"393729"	423.417218	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+Na"	22.989218
"756062"	623.631218	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+Na"	22.989218
"1610722"	223.203218	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Na"	22.989218
"317478"	212.212247	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+H+Na"	23.996494
"717554"	312.319247	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+H+Na"	23.996494
"1467000"	112.105247	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H+Na"	23.996494
"1062433"	75.07259	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2H+Na"	25.00377
"1263019"	233.247486	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+CH3OH+H"	33.033486
"383782"	439.391158	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+K"	38.963158
"739431"	639.605158	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+K"	38.963158
"1542092"	239.177158	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+K"	38.963158
"299023"	220.199217	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+H+K"	39.970434
"694605"	320.306217	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+H+K"	39.970434
"1450615"	120.092217	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H+K"	39.970434
"242133"	442.461826	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+ACN+H"	42.033826
"1218123"	242.247826	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+ACN+H"	42.033826
"1204194"	121.627551	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+ACN+2H"	43.041102
"193058"	445.39916	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+2Na-H"	44.97116
"633346"	645.61316	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+2Na-H"	44.97116
"1134297"	245.18516	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2Na-H"	44.97116
"175399"	223.203218	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+2Na"	45.978436
"614959"	323.310218	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+2Na"	45.978436
"1117611"	123.096218	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2Na"	45.978436
"1400530"	82.399904	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H+2Na"	46.985712
"1431187"	247.226746	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H+HCOOH"	47.012746
"220636"	228.23624	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+3H2O+2H"	56.04448
"1508619"	261.27879	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+IsoProp+H"	61.06479
"409115"	231.190188	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+Na+K"	61.952376
"770603"	331.297188	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+Na+K"	61.952376
"1666079"	131.083188	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Na+K"	61.952376
"253945"	464.443768	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+ACN+Na"	64.015768
"1231764"	264.229768	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+ACN+Na"	64.015768
"1715186"	264.253293	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+NH4+HCOOH"	64.039293
"1180901"	89.727218	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+3Na"	68.967654
"1650782"	269.208688	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Na+HCOOH"	68.994688
"159102"	477.34704	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+2K-H"	76.91904
"599633"	677.56104	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+2K-H"	76.91904
"1086457"	277.13304	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2K-H"	76.91904
"142907"	239.177158	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"2M+2K"	77.926316
"582835"	339.284158	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"3M+2K"	77.926316
"1068967"	139.070158	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2K"	77.926316
"1100311"	279.147592	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2K+H"	78.933592
"1336333"	279.235207	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+DMSO+H"	79.021207
"1006074"	283.274376	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2ACN+H"	83.060376
"1524570"	284.268008	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+IsoProp+Na+H"	84.054008
"990328"	142.140826	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+2ACN+2H"	84.067652
"1587464"	285.182628	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+K+HCOOH"	84.968628
"1418241"	315.214138	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+H+CF3COOH"	115.000138
"1149627"	162.654101	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+3ACN+2H"	125.094202
"1697840"	332.240685	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+NH4+CF3COOH"	132.026685
"1637018"	337.19608	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+Na+CF3COOH"	136.98208
"1578137"	353.17002	"C14509"	"1-Tridecanol;Tridecyl alcohol"	"C13H28O"	"200.214"	"M+K+CF3COOH"	152.95602
"805222"	308.0306	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M"	0
"985317"	289.01221	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-H2O-H"	-19.01839
"68093"	204.346457333333	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M-3H"	-3.021828
"506560"	307.023324	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M-3H"	-3.021828
"892021"	101.669590666667	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-3H"	-3.021828
"1120"	307.023324	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M-2H"	-2.014552
"442868"	461.038624	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M-2H"	-2.014552
"817750"	153.008024	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-2H"	-2.014552
"79562"	615.053924	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M-H"	-1.007276
"519123"	923.084524	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M-H"	-1.007276
"898019"	307.023324	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-H"	-1.007276
"49480"	632.080471	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M-2H+NH4"	16.019271
"488677"	940.111071	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M-2H+NH4"	16.019271
"864531"	324.049871	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-2H+NH4"	16.019271
"31944"	637.035866	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M-2H+Na"	20.974666
"473578"	945.066466	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M-2H+Na"	20.974666
"851381"	329.005266	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-2H+Na"	20.974666
"1619941"	329.005266	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Na-2H"	20.974666
"100725"	325.011663	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M-H+Cl"	33.962126
"540287"	479.026963	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M-H+Cl"	33.962126
"933801"	170.996363	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-H+Cl"	33.962126
"272357"	651.030602	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+Cl"	34.969402
"664780"	959.061202	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+Cl"	34.969402
"1281560"	343.000002	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Cl"	34.969402
"27398"	653.009806	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M-2H+K"	36.948606
"462584"	961.040406	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M-2H+K"	36.948606
"844761"	344.979206	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-2H+K"	36.948606
"1564968"	344.979206	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+K-2H"	36.948606
"951756"	353.028794	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-H+HCOOH"	44.998194
"367785"	661.059401	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+HCOOH-H"	44.998201
"353857"	675.075051	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+Hac-H"	59.013851
"1499408"	367.044451	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Hac-H"	59.013851
"964762"	375.010751	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-H+NaCOOH"	66.980151
"112576"	343.000002	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+2Cl"	69.938804
"555417"	497.015302	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+2Cl"	69.938804
"1023123"	188.984702	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2Cl"	69.938804
"1243795"	386.949485	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Br"	78.918885
"1311711"	389.005472	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Cl+HCOOH"	80.974872
"1327021"	410.987429	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Cl+NaCOOH"	102.956829
"916985"	421.016186	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M-H+CF3COOH"	112.985586
"1293693"	456.992864	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Cl+CF3COOH"	148.962264
"1372956"	273.017924	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H-2H2O"	-35.012676
"1383891"	291.0279	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H-H2O"	-17.0027
"286859"	617.068476	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+H"	1.007276
"681466"	925.099076	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+H"	1.007276
"1361095"	309.037876	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H"	1.007276
"133985"	309.037876	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+2H"	2.014552
"572450"	463.053176	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+2H"	2.014552
"1045624"	155.022576	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2H"	2.014552
"209151"	206.361009333333	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+3H"	3.021828
"646519"	309.037876	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+3H"	3.021828
"1165743"	103.684142666667	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+3H"	3.021828
"439726"	634.095023	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+NH4"	18.033823
"800836"	942.125623	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+NH4"	18.033823
"1691820"	326.064423	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+NH4"	18.033823
"336815"	317.5511495	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+H+NH4"	19.041099
"727046"	471.5664495	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+H+NH4"	19.041099
"1478681"	163.5358495	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H+NH4"	19.041099
"392884"	639.050418	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+Na"	22.989218
"754752"	947.081018	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+Na"	22.989218
"1605485"	331.019818	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Na"	22.989218
"319776"	320.028847	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+H+Na"	23.996494
"713292"	474.044147	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+H+Na"	23.996494
"1470390"	166.013547	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H+Na"	23.996494
"1065823"	111.011456666667	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2H+Na"	25.00377
"1264223"	341.064086	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+CH3OH+H"	33.033486
"380612"	655.024358	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+K"	38.963158
"738607"	963.054958	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+K"	38.963158
"1544754"	346.993758	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+K"	38.963158
"299015"	328.015817	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+H+K"	39.970434
"692527"	482.031117	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+H+K"	39.970434
"1450361"	174.000517	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H+K"	39.970434
"242243"	658.095026	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+ACN+H"	42.033826
"1217141"	350.064426	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+ACN+H"	42.033826
"1202119"	175.535851	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+ACN+2H"	43.041102
"190251"	661.03236	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+2Na-H"	44.97116
"632363"	969.06296	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+2Na-H"	44.97116
"1132223"	353.00176	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2Na-H"	44.97116
"175879"	331.019818	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+2Na"	45.978436
"613251"	485.035118	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+2Na"	45.978436
"1119309"	177.004518	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2Na"	45.978436
"1400278"	118.338770666667	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H+2Na"	46.985712
"1430569"	355.043346	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H+HCOOH"	47.012746
"220995"	336.05284	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+3H2O+2H"	56.04448
"1508485"	369.09539	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+IsoProp+H"	61.06479
"410199"	339.006788	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+Na+K"	61.952376
"770092"	493.022088	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+Na+K"	61.952376
"1665828"	184.991488	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Na+K"	61.952376
"251625"	680.076968	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+ACN+Na"	64.015768
"1231874"	372.046368	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+ACN+Na"	64.015768
"1715296"	372.069893	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+NH4+HCOOH"	64.039293
"1180648"	125.666084666667	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+3Na"	68.967654
"1650292"	377.025288	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Na+HCOOH"	68.994688
"157393"	692.98024	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+2K-H"	76.91904
"597356"	1001.01084	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+2K-H"	76.91904
"1084499"	384.94964	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2K-H"	76.91904
"142165"	346.993758	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"2M+2K"	77.926316
"581419"	501.009058	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"3M+2K"	77.926316
"1068548"	192.978458	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2K"	77.926316
"1100175"	386.964192	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2K+H"	78.933592
"1335655"	387.051807	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+DMSO+H"	79.021207
"1005866"	391.090976	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2ACN+H"	83.060376
"1524560"	392.084608	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+IsoProp+Na+H"	84.054008
"989975"	196.049126	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+2ACN+2H"	84.067652
"1587136"	392.999228	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+K+HCOOH"	84.968628
"1414820"	423.030738	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+H+CF3COOH"	115.000138
"1149003"	216.562401	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+3ACN+2H"	125.094202
"1698193"	440.057285	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+NH4+CF3COOH"	132.026685
"1637128"	445.01268	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+Na+CF3COOH"	136.98208
"1578247"	460.98662	"C14510"	"Fensulfothion"	"C11H17O4PS2"	"308.0306"	"M+K+CF3COOH"	152.95602
"811893"	512.241	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M"	0
"984334"	493.22261	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-H2O-H"	-19.01839
"68203"	340.486724	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M-3H"	-3.021828
"508857"	511.233724	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M-3H"	-3.021828
"892130"	169.739724	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-3H"	-3.021828
"47"	511.233724	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M-2H"	-2.014552
"444801"	767.354224	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M-2H"	-2.014552
"820780"	255.113224	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-2H"	-2.014552
"81863"	1023.474724	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M-H"	-1.007276
"521424"	1535.715724	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M-H"	-1.007276
"899226"	511.233724	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-H"	-1.007276
"49955"	1040.501271	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M-2H+NH4"	16.019271
"494984"	1552.742271	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M-2H+NH4"	16.019271
"866224"	528.260271	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-2H+NH4"	16.019271
"33394"	1045.456666	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M-2H+Na"	20.974666
"478065"	1557.697666	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M-2H+Na"	20.974666
"855866"	533.215666	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-2H+Na"	20.974666
"1621390"	533.215666	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Na-2H"	20.974666
"104115"	529.222063	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M-H+Cl"	33.962126
"543676"	785.342563	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M-H+Cl"	33.962126
"936098"	273.101563	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-H+Cl"	33.962126
"275747"	1059.451402	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+Cl"	34.969402
"663797"	1571.692402	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+Cl"	34.969402
"1286048"	547.210402	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Cl"	34.969402
"26415"	1061.430606	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M-2H+K"	36.948606
"468162"	1573.671606	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M-2H+K"	36.948606
"843779"	549.189606	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-2H+K"	36.948606
"1563985"	549.189606	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+K-2H"	36.948606
"948587"	557.239194	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-H+HCOOH"	44.998194
"367895"	1069.480201	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+HCOOH-H"	44.998201
"356155"	1083.495851	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+Hac-H"	59.013851
"1500614"	571.254851	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Hac-H"	59.013851
"965967"	579.221151	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-H+NaCOOH"	66.980151
"114873"	547.210402	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+2Cl"	69.938804
"560994"	803.330902	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+2Cl"	69.938804
"1029794"	291.089902	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2Cl"	69.938804
"1251559"	591.159885	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Br"	78.918885
"1314008"	593.215872	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Cl+HCOOH"	80.974872
"1330411"	615.197829	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Cl+NaCOOH"	102.956829
"919282"	625.226586	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M-H+CF3COOH"	112.985586
"1297084"	661.203264	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Cl+CF3COOH"	148.962264
"1373066"	477.228324	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H-2H2O"	-35.012676
"1392749"	495.2383	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H-H2O"	-17.0027
"293530"	1025.489276	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+H"	1.007276
"680483"	1537.730276	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+H"	1.007276
"1363392"	513.248276	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H"	1.007276
"131909"	513.248276	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+2H"	2.014552
"573653"	769.368776	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+2H"	2.014552
"1043548"	257.127776	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2H"	2.014552
"209261"	342.501276	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+3H"	3.021828
"648819"	513.248276	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+3H"	3.021828
"1166947"	171.754276	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+3H"	3.021828
"439224"	1042.515823	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+NH4"	18.033823
"801029"	1554.756823	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+NH4"	18.033823
"1686464"	530.274823	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+NH4"	18.033823
"334740"	521.7615495	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+H+NH4"	19.041099
"725334"	777.8820495	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+H+NH4"	19.041099
"1478792"	265.6410495	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H+NH4"	19.041099
"394194"	1047.471218	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+Na"	22.989218
"760657"	1559.712218	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+Na"	22.989218
"1605477"	535.230218	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Na"	22.989218
"319889"	524.239247	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+H+Na"	23.996494
"715592"	780.359747	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+H+Na"	23.996494
"1470501"	268.118747	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H+Na"	23.996494
"1065570"	179.08159	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2H+Na"	25.00377
"1266521"	545.274486	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+CH3OH+H"	33.033486
"384003"	1063.445158	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+K"	38.963158
"742811"	1575.686158	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+K"	38.963158
"1545959"	551.204158	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+K"	38.963158
"300948"	532.226217	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+H+K"	39.970434
"695188"	788.346717	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+H+K"	39.970434
"1450471"	276.105717	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H+K"	39.970434
"243447"	1066.515826	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+ACN+H"	42.033826
"1219438"	554.274826	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+ACN+H"	42.033826
"1202229"	277.641051	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+ACN+2H"	43.041102
"192913"	1069.45316	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+2Na-H"	44.97116
"633932"	1581.69416	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+2Na-H"	44.97116
"1136344"	557.21216	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2Na-H"	44.97116
"174167"	535.230218	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+2Na"	45.978436
"614455"	791.350718	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+2Na"	45.978436
"1117232"	279.109718	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2Na"	45.978436
"1401482"	186.408904	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H+2Na"	46.985712
"1431045"	559.253746	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H+HCOOH"	47.012746
"223291"	540.26324	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+3H2O+2H"	56.04448
"1510987"	573.30579	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+IsoProp+H"	61.06479
"409948"	543.217188	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+Na+K"	61.952376
"771310"	799.337688	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+Na+K"	61.952376
"1666186"	287.096688	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Na+K"	61.952376
"252337"	1088.497768	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+ACN+Na"	64.015768
"1225934"	576.256768	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+ACN+Na"	64.015768
"1713327"	576.280293	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+NH4+HCOOH"	64.039293
"1178719"	193.736218	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+3Na"	68.967654
"1649904"	581.235688	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Na+HCOOH"	68.994688
"157983"	1101.40104	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+2K-H"	76.91904
"598877"	1613.64204	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+2K-H"	76.91904
"1084567"	589.16004	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2K-H"	76.91904
"142153"	551.204158	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"2M+2K"	77.926316
"583414"	807.324658	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"3M+2K"	77.926316
"1070477"	295.083658	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2K"	77.926316
"1101136"	591.174592	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2K+H"	78.933592
"1336792"	591.262207	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+DMSO+H"	79.021207
"1006535"	595.301376	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2ACN+H"	83.060376
"1524268"	596.295008	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+IsoProp+Na+H"	84.054008
"989940"	298.154326	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+2ACN+2H"	84.067652
"1587151"	597.209628	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+K+HCOOH"	84.968628
"1415910"	627.241138	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+H+CF3COOH"	115.000138
"1148020"	318.667601	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+3ACN+2H"	125.094202
"1700494"	644.267685	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+NH4+CF3COOH"	132.026685
"1635413"	649.22308	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+Na+CF3COOH"	136.98208
"1578357"	665.19702	"C14511"	"Bisphenol A glycidylmethacrylate;Bis-GMA;22-Bis4-(2-hydroxy-3-methacryloxypropoxy)phenylpropane;Bisphenol A diglycidyl methacrylate"	"C29H36O8"	"512.241"	"M+K+CF3COOH"	152.95602
"808723"	118.0419	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M"	0
"982257"	99.02351	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-H2O-H"	-19.01839
"71592"	77.687324	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M-3H"	-3.021828
"508967"	117.034624	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M-3H"	-3.021828
"881666"	38.340024	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-3H"	-3.021828
"52"	117.034624	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M-2H"	-2.014552
"442723"	176.055574	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M-2H"	-2.014552
"817974"	58.013674	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-2H"	-2.014552
"79422"	235.076524	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M-H"	-1.007276
"519466"	353.118424	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M-H"	-1.007276
"897513"	117.034624	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-H"	-1.007276
"48971"	252.103071	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M-2H+NH4"	16.019271
"491084"	370.144971	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M-2H+NH4"	16.019271
"865360"	134.061171	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-2H+NH4"	16.019271
"33868"	257.058466	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M-2H+Na"	20.974666
"475623"	375.100366	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M-2H+Na"	20.974666
"854884"	139.016566	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-2H+Na"	20.974666
"1619675"	139.016566	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Na-2H"	20.974666
"103132"	135.022963	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M-H+Cl"	33.962126
"541600"	194.043913	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M-H+Cl"	33.962126
"931834"	76.002013	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-H+Cl"	33.962126
"272576"	271.053202	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+Cl"	34.969402
"660990"	389.095102	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+Cl"	34.969402
"1282876"	153.011302	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Cl"	34.969402
"26525"	273.032406	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M-2H+K"	36.948606
"464992"	391.074306	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M-2H+K"	36.948606
"843888"	154.990506	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-2H+K"	36.948606
"1564095"	154.990506	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+K-2H"	36.948606
"948697"	163.040094	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-H+HCOOH"	44.998194
"368005"	281.082001	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+HCOOH-H"	44.998201
"356265"	295.097651	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+Hac-H"	59.013851
"1500724"	177.055751	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Hac-H"	59.013851
"966077"	185.022051	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-H+NaCOOH"	66.980151
"112796"	153.011302	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+2Cl"	69.938804
"560010"	212.032252	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+2Cl"	69.938804
"1033913"	93.990352	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2Cl"	69.938804
"1251669"	196.960785	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Br"	78.918885
"1316304"	199.016772	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Cl+HCOOH"	80.974872
"1331617"	220.998729	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Cl+NaCOOH"	102.956829
"922672"	231.027486	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M-H+CF3COOH"	112.985586
"1296101"	267.004164	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Cl+CF3COOH"	148.962264
"1376456"	83.029224	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H-2H2O"	-35.012676
"1386298"	101.0392	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H-H2O"	-17.0027
"290359"	237.091076	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+H"	1.007276
"683873"	355.132976	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+H"	1.007276
"1361315"	119.049176	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H"	1.007276
"138578"	119.049176	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+2H"	2.014552
"572670"	178.070126	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+2H"	2.014552
"1043658"	60.028226	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2H"	2.014552
"207183"	79.701876	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+3H"	3.021828
"648564"	119.049176	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+3H"	3.021828
"1167057"	40.354576	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+3H"	3.021828
"439493"	254.117623	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+NH4"	18.033823
"801095"	372.159523	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+NH4"	18.033823
"1695681"	136.075723	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+NH4"	18.033823
"338126"	127.5624495	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+H+NH4"	19.041099
"729456"	186.5833995	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+H+NH4"	19.041099
"1479994"	68.5414995	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H+NH4"	19.041099
"393206"	259.073018	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+Na"	22.989218
"756756"	377.114918	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+Na"	22.989218
"1605585"	141.031118	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Na"	22.989218
"321091"	130.040147	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+H+Na"	23.996494
"711326"	189.061097	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+H+Na"	23.996494
"1470611"	71.019197	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H+Na"	23.996494
"1058389"	47.68189	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2H+Na"	25.00377
"1264445"	151.075386	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+CH3OH+H"	33.033486
"381925"	275.046958	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+K"	38.963158
"741463"	393.088858	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+K"	38.963158
"1543152"	157.005058	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+K"	38.963158
"306526"	138.027117	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+H+K"	39.970434
"697123"	197.048067	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+H+K"	39.970434
"1454955"	79.006167	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H+K"	39.970434
"243557"	278.117626	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+ACN+H"	42.033826
"1219185"	160.075726	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+ACN+H"	42.033826
"1201247"	80.541501	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+ACN+2H"	43.041102
"193388"	281.05496	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+2Na-H"	44.97116
"631855"	399.09686	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+2Na-H"	44.97116
"1132077"	163.01306	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2Na-H"	44.97116
"175006"	141.031118	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+2Na"	45.978436
"615656"	200.052068	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+2Na"	45.978436
"1117706"	82.010168	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2Na"	45.978436
"1400500"	55.009204	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H+2Na"	46.985712
"1432615"	165.054646	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H+HCOOH"	47.012746
"222675"	146.06414	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+3H2O+2H"	56.04448
"1513652"	179.10669	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+IsoProp+H"	61.06479
"411880"	149.018088	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+Na+K"	61.952376
"772145"	208.039038	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+Na+K"	61.952376
"1667021"	89.997138	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Na+K"	61.952376
"252811"	300.099568	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+ACN+Na"	64.015768
"1226130"	182.057668	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+ACN+Na"	64.015768
"1713390"	182.081193	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+NH4+HCOOH"	64.039293
"1179069"	62.336518	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+3Na"	68.967654
"1650256"	187.036588	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Na+HCOOH"	68.994688
"158092"	313.00284	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+2K-H"	76.91904
"597896"	431.04474	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+2K-H"	76.91904
"1084677"	194.96094	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2K-H"	76.91904
"142386"	157.005058	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"2M+2K"	77.926316
"582433"	216.026008	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"3M+2K"	77.926316
"1069256"	97.984108	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2K"	77.926316
"1100399"	196.975492	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2K+H"	78.933592
"1336541"	197.063107	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+DMSO+H"	79.021207
"1005877"	201.102276	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2ACN+H"	83.060376
"1525267"	202.095908	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+IsoProp+Na+H"	84.054008
"991111"	101.054776	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+2ACN+2H"	84.067652
"1587146"	203.010528	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+K+HCOOH"	84.968628
"1414211"	233.042038	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+H+CF3COOH"	115.000138
"1147217"	121.568051	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+3ACN+2H"	125.094202
"1699511"	250.068585	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+NH4+CF3COOH"	132.026685
"1636253"	255.02398	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+Na+CF3COOH"	136.98208
"1578467"	270.99792	"C14512"	"Benzofuran"	"C8H6O"	"118.0419"	"M+K+CF3COOH"	152.95602
"817027"	363.8993	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M"	0
"986744"	344.88091	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-H2O-H"	-19.01839
"70611"	241.592257333333	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M-3H"	-3.021828
"510172"	362.892024	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M-3H"	-3.021828
"892353"	120.292490666667	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-3H"	-3.021828
"2180"	362.892024	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M-2H"	-2.014552
"442832"	544.841674	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M-2H"	-2.014552
"821731"	180.942374	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-2H"	-2.014552
"81353"	726.791324	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M-H"	-1.007276
"521645"	1090.690624	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M-H"	-1.007276
"897623"	362.892024	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-H"	-1.007276
"50175"	743.817871	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M-2H+NH4"	16.019271
"496299"	1107.717171	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M-2H+NH4"	16.019271
"866081"	379.918571	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-2H+NH4"	16.019271
"37632"	748.773266	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M-2H+Na"	20.974666
"476461"	1112.672566	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M-2H+Na"	20.974666
"860461"	384.873966	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-2H+Na"	20.974666
"1621610"	384.873966	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Na-2H"	20.974666
"101056"	380.880363	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M-H+Cl"	33.962126
"537701"	562.830013	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M-H+Cl"	33.962126
"931945"	198.930713	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-H+Cl"	33.962126
"272689"	762.768002	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+Cl"	34.969402
"669483"	1126.667302	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+Cl"	34.969402
"1282985"	398.868702	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Cl"	34.969402
"18981"	764.747206	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M-2H+K"	36.948606
"461821"	1128.646506	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M-2H+K"	36.948606
"842904"	400.847906	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-2H+K"	36.948606
"1560924"	400.847906	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+K-2H"	36.948606
"956100"	408.897494	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-H+HCOOH"	44.998194
"374315"	772.796801	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+HCOOH-H"	44.998201
"354188"	786.812451	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+Hac-H"	59.013851
"1504844"	422.913151	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Hac-H"	59.013851
"966188"	430.879451	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-H+NaCOOH"	66.980151
"117283"	398.868702	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+2Cl"	69.938804
"557937"	580.818352	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+2Cl"	69.938804
"1036783"	216.919052	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2Cl"	69.938804
"1253970"	442.818185	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Br"	78.918885
"1318604"	444.874172	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Cl+HCOOH"	80.974872
"1331728"	466.856129	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Cl+NaCOOH"	102.956829
"922785"	476.884886	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M-H+CF3COOH"	112.985586
"1298399"	512.861564	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Cl+CF3COOH"	148.962264
"1379848"	328.886624	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H-2H2O"	-35.012676
"1395885"	346.8966	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H-H2O"	-17.0027
"293750"	728.805876	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+H"	1.007276
"690670"	1092.705176	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+H"	1.007276
"1366699"	364.906576	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H"	1.007276
"140153"	364.906576	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+2H"	2.014552
"572783"	546.856226	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+2H"	2.014552
"1047779"	182.956926	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2H"	2.014552
"215680"	243.606809333333	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+3H"	3.021828
"651230"	364.906576	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+3H"	3.021828
"1172636"	122.307042666667	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+3H"	3.021828
"439688"	745.832423	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+NH4"	18.033823
"801125"	1109.731723	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+NH4"	18.033823
"1696400"	381.933123	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+NH4"	18.033823
"343707"	373.4198495	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+H+NH4"	19.041099
"735037"	555.3694995	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+H+NH4"	19.041099
"1487766"	191.4701995	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H+NH4"	19.041099
"405353"	750.787818	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+Na"	22.989218
"765254"	1114.687118	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+Na"	22.989218
"1613354"	386.888518	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Na"	22.989218
"325575"	375.897547	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+H+Na"	23.996494
"714719"	557.847197	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+H+Na"	23.996494
"1469630"	193.947897	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H+Na"	23.996494
"1061780"	129.634356666667	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2H+Na"	25.00377
"1264556"	396.932786	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+CH3OH+H"	33.033486
"383133"	766.761758	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+K"	38.963158
"742668"	1130.661058	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+K"	38.963158
"1547637"	402.862458	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+K"	38.963158
"307729"	383.884517	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+H+K"	39.970434
"699058"	565.834167	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+H+K"	39.970434
"1453974"	201.934867	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H+K"	39.970434
"242576"	769.832426	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+ACN+H"	42.033826
"1216381"	405.933126	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+ACN+H"	42.033826
"1203542"	203.470201	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+ACN+2H"	43.041102
"196416"	772.76976	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+2Na-H"	44.97116
"633789"	1136.66906	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+2Na-H"	44.97116
"1135108"	408.87046	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2Na-H"	44.97116
"176573"	386.888518	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+2Na"	45.978436
"618689"	568.838168	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+2Na"	45.978436
"1118546"	204.938868	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2Na"	45.978436
"1399879"	136.961670666667	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H+2Na"	46.985712
"1431993"	410.912046	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H+HCOOH"	47.012746
"223150"	391.92154	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+3H2O+2H"	56.04448
"1511941"	424.96409	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+IsoProp+H"	61.06479
"410533"	394.875488	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+Na+K"	61.952376
"770436"	576.825138	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+Na+K"	61.952376
"1672238"	212.925838	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Na+K"	61.952376
"253657"	791.814368	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+ACN+Na"	64.015768
"1228922"	427.915068	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+ACN+Na"	64.015768
"1713428"	427.938593	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+NH4+HCOOH"	64.039293
"1180244"	144.288984666667	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+3Na"	68.967654
"1650868"	432.893988	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Na+HCOOH"	68.994688
"158457"	804.71764	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+2K-H"	76.91904
"598257"	1168.61694	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+2K-H"	76.91904
"1085077"	440.81834	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2K-H"	76.91904
"142618"	402.862458	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"2M+2K"	77.926316
"581859"	584.812108	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"3M+2K"	77.926316
"1069610"	220.912808	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2K"	77.926316
"1100753"	442.832892	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2K+H"	78.933592
"1335924"	442.920507	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+DMSO+H"	79.021207
"1008105"	446.959676	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2ACN+H"	83.060376
"1525134"	447.953308	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+IsoProp+Na+H"	84.054008
"991586"	223.983476	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+2ACN+2H"	84.067652
"1587911"	448.867928	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+K+HCOOH"	84.968628
"1414379"	478.899438	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+H+CF3COOH"	115.000138
"1147869"	244.496751	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+3ACN+2H"	125.094202
"1698523"	495.925985	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+NH4+CF3COOH"	132.026685
"1638550"	500.88138	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+Na+CF3COOH"	136.98208
"1578577"	516.85532	"C14513"	"Tetrachlorvinphos;2-Chloro-1-(245-trichlorophenyl)vinyl dimethyl phosphate"	"C10H9Cl4O4P"	"363.8993"	"M+K+CF3COOH"	152.95602
"807850"	233.9922	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M"	0
"984664"	214.97381	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-H2O-H"	-19.01839
"66347"	154.987524	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M-3H"	-3.021828
"505907"	232.984924	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M-3H"	-3.021828
"895140"	76.990124	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-3H"	-3.021828
"5575"	232.984924	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M-2H"	-2.014552
"450600"	349.981024	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M-2H"	-2.014552
"820750"	115.988824	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-2H"	-2.014552
"86207"	466.977124	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M-H"	-1.007276
"524674"	700.969324	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M-H"	-1.007276
"898102"	232.984924	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-H"	-1.007276
"50290"	484.003671	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M-2H+NH4"	16.019271
"496410"	717.995871	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M-2H+NH4"	16.019271
"874216"	250.011471	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-2H+NH4"	16.019271
"37013"	488.959066	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M-2H+Na"	20.974666
"482768"	722.951266	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M-2H+Na"	20.974666
"859479"	254.966866	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-2H+Na"	20.974666
"1627921"	254.966866	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Na-2H"	20.974666
"102262"	250.973263	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M-H+Cl"	33.962126
"541822"	367.969363	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M-H+Cl"	33.962126
"935336"	133.977163	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-H+Cl"	33.962126
"272799"	502.953802	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+Cl"	34.969402
"672509"	736.946002	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+Cl"	34.969402
"1283096"	268.961602	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Cl"	34.969402
"25653"	504.933006	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M-2H+K"	36.948606
"469587"	738.925206	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M-2H+K"	36.948606
"848351"	270.940806	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-2H+K"	36.948606
"1569056"	270.940806	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+K-2H"	36.948606
"958033"	278.990394	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-H+HCOOH"	44.998194
"376741"	512.982601	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+HCOOH-H"	44.998201
"361378"	526.998251	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+Hac-H"	59.013851
"1507871"	293.006051	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Hac-H"	59.013851
"970672"	300.972351	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-H+NaCOOH"	66.980151
"123591"	268.961602	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+2Cl"	69.938804
"564245"	385.957702	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+2Cl"	69.938804
"1036323"	151.965502	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2Cl"	69.938804
"1255903"	312.911085	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Br"	78.918885
"1315434"	314.967072	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Cl+HCOOH"	80.974872
"1331838"	336.949029	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Cl+NaCOOH"	102.956829
"922895"	346.977786	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M-H+CF3COOH"	112.985586
"1298509"	382.954464	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Cl+CF3COOH"	148.962264
"1379595"	198.979524	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H-2H2O"	-35.012676
"1397458"	216.9895	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H-H2O"	-17.0027
"296417"	468.991676	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+H"	1.007276
"689568"	702.983876	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+H"	1.007276
"1366160"	234.999476	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H"	1.007276
"138805"	234.999476	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+2H"	2.014552
"571799"	351.995576	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+2H"	2.014552
"1044973"	118.003376	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2H"	2.014552
"212874"	157.002076	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+3H"	3.021828
"650247"	234.999476	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+3H"	3.021828
"1169466"	79.004676	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+3H"	3.021828
"439072"	486.018223	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+NH4"	18.033823
"800309"	720.010423	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+NH4"	18.033823
"1696514"	252.026023	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+NH4"	18.033823
"342729"	243.5127495	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+H+NH4"	19.041099
"735513"	360.5088495	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+H+NH4"	19.041099
"1483503"	126.5166495	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H+NH4"	19.041099
"406194"	490.973618	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+Na"	22.989218
"768647"	724.965818	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+Na"	22.989218
"1615653"	256.981418	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Na"	22.989218
"323499"	245.990447	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+H+Na"	23.996494
"718110"	362.986547	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+H+Na"	23.996494
"1471931"	128.994347	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H+Na"	23.996494
"1062989"	86.33199	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2H+Na"	25.00377
"1269040"	267.025686	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+CH3OH+H"	33.033486
"387616"	506.947558	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+K"	38.963158
"748609"	740.939758	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+K"	38.963158
"1548841"	272.955358	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+K"	38.963158
"307839"	253.977417	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+H+K"	39.970434
"703543"	370.973517	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+H+K"	39.970434
"1454084"	136.981317	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H+K"	39.970434
"247062"	510.018226	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+ACN+H"	42.033826
"1220864"	276.026026	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+ACN+H"	42.033826
"1203653"	138.516651	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+ACN+2H"	43.041102
"196527"	512.95556	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+2Na-H"	44.97116
"638275"	746.94776	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+2Na-H"	44.97116
"1140687"	278.96336	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2Na-H"	44.97116
"179967"	256.981418	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+2Na"	45.978436
"614546"	373.977518	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+2Na"	45.978436
"1120847"	139.985318	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2Na"	45.978436
"1400356"	93.659304	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H+2Na"	46.985712
"1432831"	281.004946	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H+HCOOH"	47.012746
"222532"	262.01444	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+3H2O+2H"	56.04448
"1511323"	295.05699	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+IsoProp+H"	61.06479
"410645"	264.968388	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+Na+K"	61.952376
"771639"	381.964488	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+Na+K"	61.952376
"1669431"	147.972288	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Na+K"	61.952376
"254864"	532.000168	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+ACN+Na"	64.015768
"1233410"	298.007968	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+ACN+Na"	64.015768
"1719016"	298.031493	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+NH4+HCOOH"	64.039293
"1183279"	100.986618	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+3Na"	68.967654
"1650859"	302.986888	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Na+HCOOH"	68.994688
"161122"	544.90344	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+2K-H"	76.91904
"603963"	778.89564	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+2K-H"	76.91904
"1089569"	310.91124	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2K-H"	76.91904
"142129"	272.955358	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"2M+2K"	77.926316
"582176"	389.951458	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"3M+2K"	77.926316
"1069116"	155.959258	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2K"	77.926316
"1101481"	312.925792	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2K+H"	78.933592
"1337987"	313.013407	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+DMSO+H"	79.021207
"1012957"	317.052576	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2ACN+H"	83.060376
"1525857"	318.046208	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+IsoProp+Na+H"	84.054008
"993157"	159.029926	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+2ACN+2H"	84.067652
"1588023"	318.960828	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+K+HCOOH"	84.968628
"1415389"	348.992338	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+H+CF3COOH"	115.000138
"1147068"	179.543201	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+3ACN+2H"	125.094202
"1698634"	366.018885	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+NH4+CF3COOH"	132.026685
"1638660"	370.97428	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+Na+CF3COOH"	136.98208
"1578687"	386.94822	"C14514"	"Chinomethionat;Quinomethionate;6-Methyl-23-quinoxalinedithiol cyclic SS-dithiocarbonate"	"C10H6N2OS2"	"233.9922"	"M+K+CF3COOH"	152.95602
"807960"	166.0994	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M"	0
"984774"	147.08101	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"68641"	109.725657333333	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"504924"	165.092124	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"888196"	54.3591906666667	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"5683"	165.092124	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"444150"	248.141824	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"819763"	82.042424	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"81943"	331.191524	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"525875"	497.290924	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"905864"	165.092124	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"50033"	348.218071	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"491051"	514.317471	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"867397"	182.118671	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"33473"	353.173466	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"473764"	519.272866	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"858495"	187.074066	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1622196"	187.074066	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"96539"	183.080463	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"540838"	266.130163	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"934351"	100.030763	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"281290"	367.168202	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"666423"	533.267602	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1285393"	201.068802	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"26855"	369.147406	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"464230"	535.246806	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"846407"	203.048006	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1562241"	203.048006	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"956318"	211.097594	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"375627"	377.197001	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"361141"	391.212651	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1506158"	225.113251	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"970418"	233.079551	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"121874"	201.068802	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"561434"	284.118502	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1035702"	118.019102	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1254556"	245.018285	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1315544"	247.074272	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1330855"	269.056229	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"924098"	279.084986	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1298619"	315.061664	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1379341"	131.086724	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1396473"	149.0967	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"297255"	333.206076	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"688950"	499.305476	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1364204"	167.106676	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"138551"	167.106676	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"575920"	250.156376	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1048000"	84.056976	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"216997"	111.740209333333	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"653638"	167.106676	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1169576"	56.3737426666667	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"439297"	350.232623	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"800053"	516.332023	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1696381"	184.133223	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"342837"	175.6199495	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"734166"	258.6696495	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1487988"	92.5702495	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"404480"	355.188018	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"768394"	521.287418	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1617099"	189.088618	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"322518"	178.097647	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"718220"	261.147347	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1472041"	95.047947	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1063099"	63.7010566666667	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1266965"	199.132886	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"387727"	371.161958	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"744349"	537.261358	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1549681"	205.062558	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"307950"	186.084617	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"701467"	269.134317	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1452008"	103.034917	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"246079"	374.232626	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1222069"	208.133226	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1203767"	104.570251	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"196637"	377.16996	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"637291"	543.26936	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1142619"	211.07056	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"180808"	189.088618	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"616359"	272.138318	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1122780"	106.038918	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1401564"	71.0283706666667	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1432210"	213.112146	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"222279"	194.12164	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1514350"	227.16419	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"410025"	197.075588	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"771751"	280.125288	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1669540"	114.025888	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"254246"	396.214568	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1230967"	230.115168	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1720220"	230.138693	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1187764"	78.3556846666667	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1654740"	235.094088	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"162325"	409.11784	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"601158"	575.21724	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1090043"	243.01844	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"145404"	205.062558	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"588244"	288.112258	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1069233"	122.012858	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1104873"	245.032992	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1337976"	245.120607	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1010880"	249.159776	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1525725"	250.153408	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"991444"	125.083526	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1588133"	251.068028	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1416716"	281.099538	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1150284"	145.596801	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1699837"	298.126085	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1636583"	303.08148	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1585358"	319.05542	"C14515"	"Camphorquinone"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"814630"	142.0266	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M"	0
"982698"	123.00821	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"72032"	93.677124	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"506126"	141.019324	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"890492"	46.334924	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"1419"	141.019324	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"444260"	212.032624	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"820966"	70.006024	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"82052"	283.045924	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"525985"	425.072524	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"904881"	141.019324	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"51601"	300.072471	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"491161"	442.099071	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"867502"	158.045871	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"34311"	305.027866	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"476062"	447.054466	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"856418"	163.001266	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1620485"	163.001266	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"98108"	159.007663	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"542041"	230.020963	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"930087"	87.994363	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"279215"	319.022602	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"664346"	461.049202	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1283316"	176.996002	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"22591"	321.001806	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"467620"	463.028406	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"844330"	178.975206	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1562351"	178.975206	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"955700"	187.024794	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"373549"	329.051401	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"361249"	343.067051	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1506268"	201.040451	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"968705"	209.006751	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"118704"	176.996002	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"560450"	248.009302	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1030344"	105.982702	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1251016"	220.945485	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1311278"	223.001472	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1332056"	244.983429	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"923115"	255.012186	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1299822"	290.988864	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1382003"	107.013924	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1397311"	125.0239	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"296632"	285.060476	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"688328"	427.087076	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1363585"	143.033876	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"138297"	143.033876	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"572019"	214.047176	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1046287"	72.020576	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"216011"	95.691676	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"652654"	143.033876	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1169685"	48.349476	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"438921"	302.087023	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"799432"	444.113623	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1694665"	160.060423	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"342948"	151.5471495	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"734277"	222.5604495	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1490650"	80.5338495	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"405685"	307.042418	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"768629"	449.069018	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1617454"	165.015818	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"322627"	154.024847	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"719059"	225.038147	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1471423"	83.011547	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1064668"	55.67679	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1265981"	175.060086	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"388930"	323.016358	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"744459"	465.042958	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1549791"	180.989758	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"309153"	162.011817	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"700484"	233.025117	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1452120"	90.998517	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"244003"	326.087026	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1218899"	184.060426	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1204970"	92.533851	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"195654"	329.02436	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"632298"	471.05096	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1137261"	186.99776	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"176179"	165.015818	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"619386"	236.029118	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1122891"	94.002518	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1401431"	63.004104	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1434150"	189.039346	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"222024"	170.04884	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1511541"	203.09139	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"409159"	173.002788	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"771860"	244.016088	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1668556"	101.989488	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"254356"	348.068968	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1231442"	206.042368	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1721423"	206.065893	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1187874"	70.331418	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1658859"	211.021288	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"160615"	360.97224	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"600174"	502.99884	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1086145"	218.94564	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"147702"	180.989758	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"585074"	252.003058	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1068514"	109.976458	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1104983"	220.960192	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1338086"	221.047807	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1010990"	225.086976	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1526928"	226.080608	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"992283"	113.047126	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1587879"	226.995228	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1415733"	257.026738	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1149301"	133.560401	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1698855"	274.053285	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1635600"	279.00868	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1585468"	294.98262	"C14516"	"Kojic acid;5-Hydroxy-2-(hydroxymethyl)-4-pyrone"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"815471"	311.1652	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M"	0
"982808"	292.14681	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-H2O-H"	-19.01839
"66676"	206.436190666667	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M-3H"	-3.021828
"508425"	310.157924	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M-3H"	-3.021828
"887322"	102.714457333333	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-3H"	-3.021828
"4809"	310.157924	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H"	-2.014552
"445462"	465.740524	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H"	-2.014552
"823262"	154.575324	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-2H"	-2.014552
"79974"	621.323124	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M-H"	-1.007276
"520991"	932.488324	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M-H"	-1.007276
"902804"	310.157924	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-H"	-1.007276
"51711"	638.349671	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H+NH4"	16.019271
"490542"	949.514871	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H+NH4"	16.019271
"867614"	327.184471	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-2H+NH4"	16.019271
"34421"	643.305066	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H+Na"	20.974666
"475444"	954.470266	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H+Na"	20.974666
"854342"	332.139866	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-2H+Na"	20.974666
"1618972"	332.139866	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Na-2H"	20.974666
"97124"	328.146263	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M-H+Cl"	33.962126
"537778"	483.728863	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M-H+Cl"	33.962126
"929104"	172.563663	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-H+Cl"	33.962126
"280054"	657.299802	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+Cl"	34.969402
"663363"	968.465002	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+Cl"	34.969402
"1280146"	346.134602	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl"	34.969402
"21608"	659.279006	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M-2H+K"	36.948606
"467730"	970.444206	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M-2H+K"	36.948606
"841159"	348.113806	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-2H+K"	36.948606
"1566834"	348.113806	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+K-2H"	36.948606
"954715"	356.163394	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-H+HCOOH"	44.998194
"368555"	667.328601	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+HCOOH-H"	44.998201
"359003"	681.344251	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+Hac-H"	59.013851
"1506378"	370.179051	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Hac-H"	59.013851
"971366"	378.145351	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-H+NaCOOH"	66.980151
"117720"	346.134602	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+2Cl"	69.938804
"557280"	501.717202	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+2Cl"	69.938804
"1031547"	190.552002	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2Cl"	69.938804
"1252219"	390.084085	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Br"	78.918885
"1314668"	392.140072	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl+HCOOH"	80.974872
"1331072"	414.122029	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl+NaCOOH"	102.956829
"925411"	424.150786	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M-H+CF3COOH"	112.985586
"1298839"	460.127464	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Cl+CF3COOH"	148.962264
"1381749"	276.152524	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H-2H2O"	-35.012676
"1396328"	294.1625	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H-H2O"	-17.0027
"296378"	623.337676	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+H"	1.007276
"690260"	934.502876	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+H"	1.007276
"1365152"	312.172476	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H"	1.007276
"139499"	312.172476	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+2H"	2.014552
"569943"	467.755076	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+2H"	2.014552
"1043117"	156.589876	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2H"	2.014552
"213205"	208.450742666667	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+3H"	3.021828
"653859"	312.172476	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+3H"	3.021828
"1173077"	104.729009333333	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+3H"	3.021828
"437449"	640.364223	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+NH4"	18.033823
"798080"	951.529423	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+NH4"	18.033823
"1695503"	329.199023	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+NH4"	18.033823
"343058"	320.6857495	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+H+NH4"	19.041099
"734023"	476.2683495	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+H+NH4"	19.041099
"1490031"	165.1031495	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H+NH4"	19.041099
"407741"	645.319618	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+Na"	22.989218
"768255"	956.484818	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+Na"	22.989218
"1616596"	334.154418	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Na"	22.989218
"324923"	323.163447	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+H+Na"	23.996494
"716982"	478.746047	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+H+Na"	23.996494
"1472626"	167.580847	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H+Na"	23.996494
"1066727"	112.056323333333	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2H+Na"	25.00377
"1267184"	344.198686	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+CH3OH+H"	33.033486
"384667"	661.293558	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+K"	38.963158
"743477"	972.458758	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+K"	38.963158
"1550995"	350.128358	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+K"	38.963158
"304891"	331.150417	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+H+K"	39.970434
"698409"	486.733017	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+H+K"	39.970434
"1450042"	175.567817	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H+K"	39.970434
"241926"	664.364226	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+ACN+H"	42.033826
"1217914"	353.199026	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+ACN+H"	42.033826
"1206172"	177.103151	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+ACN+2H"	43.041102
"194670"	667.30156	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+2Na-H"	44.97116
"633502"	978.46676	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+2Na-H"	44.97116
"1135549"	356.13636	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2Na-H"	44.97116
"175560"	334.154418	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+2Na"	45.978436
"616212"	489.737018	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+2Na"	45.978436
"1120084"	178.571818	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2Na"	45.978436
"1401056"	119.383637333333	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H+2Na"	46.985712
"1432799"	358.177946	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H+HCOOH"	47.012746
"221764"	339.18744	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+3H2O+2H"	56.04448
"1510194"	372.22999	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+IsoProp+H"	61.06479
"411338"	342.141388	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+Na+K"	61.952376
"770307"	497.723988	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+Na+K"	61.952376
"1667937"	186.558788	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Na+K"	61.952376
"254466"	686.346168	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+ACN+Na"	64.015768
"1235928"	375.180968	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+ACN+Na"	64.015768
"1720440"	375.204493	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+NH4+HCOOH"	64.039293
"1189076"	126.710951333333	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+3Na"	68.967654
"1658969"	380.159888	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Na+HCOOH"	68.994688
"159268"	699.24944	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+2K-H"	76.91904
"599922"	1010.41464	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+2K-H"	76.91904
"1087715"	388.08424	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2K-H"	76.91904
"144532"	350.128358	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"2M+2K"	77.926316
"587372"	505.710958	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"3M+2K"	77.926316
"1069331"	194.545758	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2K"	77.926316
"1108374"	390.098792	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2K+H"	78.933592
"1336374"	390.186407	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+DMSO+H"	79.021207
"1010007"	394.225576	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2ACN+H"	83.060376
"1528132"	395.219208	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+IsoProp+Na+H"	84.054008
"991299"	197.616426	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+2ACN+2H"	84.067652
"1588355"	396.133828	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+K+HCOOH"	84.968628
"1415843"	426.165338	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+H+CF3COOH"	115.000138
"1149414"	218.129701	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+3ACN+2H"	125.094202
"1703340"	443.191885	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+NH4+CF3COOH"	132.026685
"1638991"	448.14728	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+Na+CF3COOH"	136.98208
"1585578"	464.12122	"C14517"	"Pretilachlor"	"C17H26ClNO2"	"311.1652"	"M+K+CF3COOH"	152.95602
"807195"	120.0939	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M"	0
"979638"	101.07551	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-H2O-H"	-19.01839
"64599"	79.055324	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M-3H"	-3.021828
"511816"	119.086624	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M-3H"	-3.021828
"890712"	39.024024	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-3H"	-3.021828
"3826"	119.086624	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M-2H"	-2.014552
"448854"	179.133574	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M-2H"	-2.014552
"821188"	59.039674	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-2H"	-2.014552
"85554"	239.180524	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M-H"	-1.007276
"531674"	359.274424	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M-H"	-1.007276
"910327"	119.086624	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-H"	-1.007276
"60206"	256.207071	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M-2H+NH4"	16.019271
"500130"	376.300971	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M-2H+NH4"	16.019271
"874652"	136.113171	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-2H+NH4"	16.019271
"41096"	261.162466	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M-2H+Na"	20.974666
"479928"	381.256366	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M-2H+Na"	20.974666
"856639"	141.068566	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-2H+Na"	20.974666
"1627266"	141.068566	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Na-2H"	20.974666
"101608"	137.074963	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M-H+Cl"	33.962126
"545541"	197.121913	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M-H+Cl"	33.962126
"935774"	77.028013	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-H+Cl"	33.962126
"282474"	275.157202	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+Cl"	34.969402
"663473"	395.251102	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+Cl"	34.969402
"1286453"	155.063302	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Cl"	34.969402
"27185"	277.136406	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M-2H+K"	36.948606
"470878"	397.230306	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M-2H+K"	36.948606
"844549"	157.042506	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-2H+K"	36.948606
"1566944"	157.042506	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+K-2H"	36.948606
"955556"	165.092094	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-H+HCOOH"	44.998194
"370852"	285.186001	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+HCOOH-H"	44.998201
"360978"	299.201651	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+Hac-H"	59.013851
"1507339"	179.107751	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Hac-H"	59.013851
"971476"	187.074051	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-H+NaCOOH"	66.980151
"116737"	155.063302	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+2Cl"	69.938804
"557390"	215.110252	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+2Cl"	69.938804
"1031657"	95.016352	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2Cl"	69.938804
"1245768"	199.012785	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Br"	78.918885
"1312590"	201.068772	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Cl+HCOOH"	80.974872
"1334462"	223.050729	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Cl+NaCOOH"	102.956829
"925521"	233.079486	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M-H+CF3COOH"	112.985586
"1301135"	269.056164	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Cl+CF3COOH"	148.962264
"1382225"	85.081224	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H-2H2O"	-35.012676
"1396438"	103.0912	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H-H2O"	-17.0027
"298437"	241.195076	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+H"	1.007276
"688547"	361.288976	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+H"	1.007276
"1366719"	121.101176	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H"	1.007276
"138879"	121.101176	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+2H"	2.014552
"573335"	181.148126	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+2H"	2.014552
"1043227"	61.054226	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2H"	2.014552
"212221"	81.069876	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+3H"	3.021828
"650687"	121.101176	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+3H"	3.021828
"1171000"	41.038576	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+3H"	3.021828
"439507"	258.221623	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+NH4"	18.033823
"798555"	378.315523	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+NH4"	18.033823
"1695614"	138.127723	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+NH4"	18.033823
"344991"	129.6144495	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+H+NH4"	19.041099
"735589"	189.6613995	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+H+NH4"	19.041099
"1491233"	69.5674995	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H+NH4"	19.041099
"404808"	263.177018	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+Na"	22.989218
"767264"	383.270918	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+Na"	22.989218
"1614995"	143.083118	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Na"	22.989218
"327221"	132.092147	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+H+Na"	23.996494
"716362"	192.139097	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+H+Na"	23.996494
"1473462"	72.045197	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H+Na"	23.996494
"1063429"	48.36589	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2H+Na"	25.00377
"1267295"	153.127386	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+CH3OH+H"	33.033486
"385869"	279.150958	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+K"	38.963158
"752333"	399.244858	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+K"	38.963158
"1547824"	159.057058	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+K"	38.963158
"308279"	140.079117	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+H+K"	39.970434
"702890"	200.126067	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+H+K"	39.970434
"1456712"	80.032167	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H+K"	39.970434
"244218"	282.221626	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+ACN+H"	42.033826
"1219115"	162.127726	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+ACN+H"	42.033826
"1205185"	81.567501	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+ACN+2H"	43.041102
"202433"	285.15896	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+2Na-H"	44.97116
"634340"	405.25286	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+2Na-H"	44.97116
"1138940"	165.06506	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2Na-H"	44.97116
"182231"	143.083118	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+2Na"	45.978436
"616325"	203.130068	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+2Na"	45.978436
"1126391"	83.036168	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2Na"	45.978436
"1401167"	55.693204	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H+2Na"	46.985712
"1432906"	167.106646	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H+HCOOH"	47.012746
"221022"	148.11614	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+3H2O+2H"	56.04448
"1512128"	181.15869	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+IsoProp+H"	61.06479
"412177"	151.070088	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+Na+K"	61.952376
"771713"	211.117038	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+Na+K"	61.952376
"1668776"	91.023138	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Na+K"	61.952376
"257856"	304.203568	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+ACN+Na"	64.015768
"1238225"	184.109668	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+ACN+Na"	64.015768
"1723830"	184.133193	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+NH4+HCOOH"	64.039293
"1191376"	63.020518	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+3Na"	68.967654
"1661266"	189.088588	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Na+HCOOH"	68.994688
"162659"	317.10684	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+2K-H"	76.91904
"604406"	437.20074	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+2K-H"	76.91904
"1087826"	197.01294	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2K-H"	76.91904
"146829"	159.057058	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"2M+2K"	77.926316
"587482"	219.104008	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"3M+2K"	77.926316
"1070902"	99.010108	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2K"	77.926316
"1109578"	199.027492	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2K+H"	78.933592
"1339401"	199.115107	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+DMSO+H"	79.021207
"1013397"	203.154276	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2ACN+H"	83.060376
"1528242"	204.147908	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+IsoProp+Na+H"	84.054008
"996877"	102.080776	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+2ACN+2H"	84.067652
"1590288"	205.062528	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+K+HCOOH"	84.968628
"1417046"	235.094038	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+H+CF3COOH"	115.000138
"1150617"	122.594051	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+3ACN+2H"	125.094202
"1702357"	252.120585	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+NH4+CF3COOH"	132.026685
"1635821"	257.07598	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+Na+CF3COOH"	136.98208
"1585688"	273.04992	"C14518"	"123-Trimethylbenzene;Hemimellitene"	"C9H12"	"120.0939"	"M+K+CF3COOH"	152.95602
"803296"	218.0732	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M"	0
"986311"	199.05481	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-H2O-H"	-19.01839
"69084"	144.374857333333	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M-3H"	-3.021828
"513020"	217.065924	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M-3H"	-3.021828
"891920"	71.6837906666667	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-3H"	-3.021828
"8310"	217.065924	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M-2H"	-2.014552
"444591"	326.102524	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M-2H"	-2.014552
"821299"	108.029324	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-2H"	-2.014552
"82385"	435.139124	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M-H"	-1.007276
"522307"	653.212324	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M-H"	-1.007276
"908494"	217.065924	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-H"	-1.007276
"53029"	452.165671	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M-2H+NH4"	16.019271
"500241"	670.238871	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M-2H+NH4"	16.019271
"875858"	234.092471	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-2H+NH4"	16.019271
"40479"	457.121066	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M-2H+Na"	20.974666
"482227"	675.194266	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M-2H+Na"	20.974666
"853469"	239.047866	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-2H+Na"	20.974666
"1625189"	239.047866	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Na-2H"	20.974666
"98438"	235.054263	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M-H+Cl"	33.962126
"549934"	344.090863	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M-H+Cl"	33.962126
"939165"	126.017663	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-H+Cl"	33.962126
"271527"	471.115802	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+Cl"	34.969402
"664678"	689.189002	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+Cl"	34.969402
"1285833"	253.042602	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Cl"	34.969402
"27297"	473.095006	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M-2H+K"	36.948606
"462480"	691.168206	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M-2H+K"	36.948606
"841374"	255.021806	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-2H+K"	36.948606
"1565956"	255.021806	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+K-2H"	36.948606
"951652"	263.071394	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-H+HCOOH"	44.998194
"372056"	481.144601	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+HCOOH-H"	44.998201
"357033"	495.160251	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+Hac-H"	59.013851
"1503678"	277.087051	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Hac-H"	59.013851
"964658"	285.053351	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-H+NaCOOH"	66.980151
"115753"	253.042602	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+2Cl"	69.938804
"557501"	362.079202	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+2Cl"	69.938804
"1029581"	144.006002	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2Cl"	69.938804
"1255723"	296.992085	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Br"	78.918885
"1314889"	299.048072	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Cl+HCOOH"	80.974872
"1333482"	321.030029	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Cl+NaCOOH"	102.956829
"926365"	331.058786	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M-H+CF3COOH"	112.985586
"1301615"	367.035464	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Cl+CF3COOH"	148.962264
"1382095"	183.060524	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H-2H2O"	-35.012676
"1398215"	201.0705	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H-H2O"	-17.0027
"298018"	437.153676	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+H"	1.007276
"688294"	655.226876	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+H"	1.007276
"1362821"	219.080476	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H"	1.007276
"138990"	219.080476	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+2H"	2.014552
"580010"	328.117076	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+2H"	2.014552
"1051969"	110.043876	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2H"	2.014552
"217437"	146.389409333333	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+3H"	3.021828
"656995"	219.080476	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+3H"	3.021828
"1172203"	73.6983426666667	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+3H"	3.021828
"438033"	454.180223	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+NH4"	18.033823
"799398"	672.253423	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+NH4"	18.033823
"1696213"	236.107023	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+NH4"	18.033823
"342184"	227.5937495	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+H+NH4"	19.041099
"736429"	336.6303495	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+H+NH4"	19.041099
"1490614"	118.5571495	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H+NH4"	19.041099
"402731"	459.135618	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+Na"	22.989218
"764819"	677.208818	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+Na"	22.989218
"1616201"	241.062418	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Na"	22.989218
"326237"	230.071447	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+H+Na"	23.996494
"716470"	339.108047	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+H+Na"	23.996494
"1472479"	121.034847	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H+Na"	23.996494
"1065726"	81.0256566666667	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2H+Na"	25.00377
"1272351"	251.106686	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+CH3OH+H"	33.033486
"388163"	475.109558	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+K"	38.963158
"752443"	693.182758	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+K"	38.963158
"1552311"	257.036358	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+K"	38.963158
"310578"	238.058417	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+H+K"	39.970434
"700815"	347.095017	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+H+K"	39.970434
"1457918"	129.021817	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H+K"	39.970434
"248704"	478.180226	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+ACN+H"	42.033826
"1221414"	260.107026	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+ACN+H"	42.033826
"1207483"	130.557151	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+ACN+2H"	43.041102
"204144"	481.11756	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+2Na-H"	44.97116
"636637"	699.19076	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+2Na-H"	44.97116
"1140145"	263.04436	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2Na-H"	44.97116
"182341"	241.062418	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+2Na"	45.978436
"622992"	350.099018	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+2Na"	45.978436
"1123220"	132.025818	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2Na"	45.978436
"1406744"	88.3529706666667	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H+2Na"	46.985712
"1433752"	265.085946	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H+HCOOH"	47.012746
"222715"	246.09544	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+3H2O+2H"	56.04448
"1510779"	279.13799	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+IsoProp+H"	61.06479
"410466"	249.049388	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+Na+K"	61.952376
"773286"	358.085988	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+Na+K"	61.952376
"1669617"	140.012788	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Na+K"	61.952376
"253953"	500.162168	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+ACN+Na"	64.015768
"1232859"	282.088968	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+ACN+Na"	64.015768
"1719561"	282.112493	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+NH4+HCOOH"	64.039293
"1193304"	95.6802846666667	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+3Na"	68.967654
"1659187"	287.067888	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Na+HCOOH"	68.994688
"168236"	513.06544	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+2K-H"	76.91904
"603423"	731.13864	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+2K-H"	76.91904
"1087206"	294.99224	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2K-H"	76.91904
"146937"	257.036358	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"2M+2K"	77.926316
"586498"	366.072958	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"3M+2K"	77.926316
"1072106"	147.999758	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2K"	77.926316
"1104221"	297.006792	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2K+H"	78.933592
"1340602"	297.094407	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+DMSO+H"	79.021207
"1007432"	301.133576	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2ACN+H"	83.060376
"1528352"	302.127208	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+IsoProp+Na+H"	84.054008
"993709"	151.070426	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+2ACN+2H"	84.067652
"1590400"	303.041828	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+K+HCOOH"	84.968628
"1417156"	333.073338	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+H+CF3COOH"	115.000138
"1152913"	171.583701	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+3ACN+2H"	125.094202
"1710122"	350.099885	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+NH4+CF3COOH"	132.026685
"1639211"	355.05528	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+Na+CF3COOH"	136.98208
"1585798"	371.02922	"C14519"	"1-Hydroxypyrene"	"C16H10O"	"218.0732"	"M+K+CF3COOH"	152.95602
"803042"	320.895	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M"	0
"983137"	301.87661	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-H2O-H"	-19.01839
"64941"	212.922724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M-3H"	-3.021828
"513859"	319.887724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M-3H"	-3.021828
"894705"	105.957724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-3H"	-3.021828
"7327"	319.887724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M-2H"	-2.014552
"450168"	480.335224	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M-2H"	-2.014552
"826876"	159.440224	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-2H"	-2.014552
"89057"	640.782724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M-H"	-1.007276
"529709"	961.677724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M-H"	-1.007276
"900952"	319.887724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-H"	-1.007276
"56420"	657.809271	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M-2H+NH4"	16.019271
"494885"	978.704271	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M-2H+NH4"	16.019271
"878035"	336.914271	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-2H+NH4"	16.019271
"42776"	662.764666	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M-2H+Na"	20.974666
"482338"	983.659666	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M-2H+Na"	20.974666
"855767"	341.869666	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-2H+Na"	20.974666
"1622019"	341.869666	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Na-2H"	20.974666
"102922"	337.876063	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M-H+Cl"	33.962126
"547949"	498.323563	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M-H+Cl"	33.962126
"939276"	177.428563	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-H+Cl"	33.962126
"273460"	676.759402	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+Cl"	34.969402
"668068"	997.654402	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+Cl"	34.969402
"1283757"	355.864402	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Cl"	34.969402
"23033"	678.738606	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M-2H+K"	36.948606
"464778"	999.633606	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M-2H+K"	36.948606
"843673"	357.843606	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-2H+K"	36.948606
"1567893"	357.843606	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+K-2H"	36.948606
"952494"	365.893194	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-H+HCOOH"	44.998194
"372165"	686.788201	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+HCOOH-H"	44.998201
"353863"	700.803851	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+Hac-H"	59.013851
"1503061"	379.908851	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Hac-H"	59.013851
"967686"	387.875151	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-H+NaCOOH"	66.980151
"125221"	355.864402	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+2Cl"	69.938804
"562715"	516.311902	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+2Cl"	69.938804
"1031877"	195.416902	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2Cl"	69.938804
"1256935"	399.813885	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Br"	78.918885
"1311719"	401.869872	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Cl+HCOOH"	80.974872
"1334324"	423.851829	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Cl+NaCOOH"	102.956829
"927066"	433.880586	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M-H+CF3COOH"	112.985586
"1302819"	469.857264	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Cl+CF3COOH"	148.962264
"1380988"	285.882324	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H-2H2O"	-35.012676
"1396661"	303.8923	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H-H2O"	-17.0027
"298168"	642.797276	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+H"	1.007276
"688770"	963.692276	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+H"	1.007276
"1364755"	321.902276	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H"	1.007276
"141198"	321.902276	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+2H"	2.014552
"580850"	482.349776	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+2H"	2.014552
"1051108"	161.454776	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2H"	2.014552
"217549"	214.937276	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+3H"	3.021828
"657469"	321.902276	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+3H"	3.021828
"1172313"	107.972276	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+3H"	3.021828
"435959"	659.823823	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+NH4"	18.033823
"799751"	980.718823	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+NH4"	18.033823
"1694015"	338.928823	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+NH4"	18.033823
"343753"	330.4155495	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+H+NH4"	19.041099
"735447"	490.8630495	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+H+NH4"	19.041099
"1490724"	169.9680495	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H+NH4"	19.041099
"406123"	664.779218	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+Na"	22.989218
"764930"	985.674218	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+Na"	22.989218
"1614124"	343.884218	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Na"	22.989218
"324160"	332.893247	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+H+Na"	23.996494
"713301"	493.340747	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+H+Na"	23.996494
"1472589"	172.445747	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H+Na"	23.996494
"1065834"	115.29959	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2H+Na"	25.00377
"1270429"	353.928486	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+CH3OH+H"	33.033486
"387181"	680.753158	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+K"	38.963158
"751460"	1001.648158	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+K"	38.963158
"1546950"	359.858158	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+K"	38.963158
"306312"	340.880217	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+H+K"	39.970434
"699828"	501.327717	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+H+K"	39.970434
"1452554"	180.432717	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H+K"	39.970434
"245531"	683.823826	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+ACN+H"	42.033826
"1220428"	362.928826	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+ACN+H"	42.033826
"1207596"	181.968051	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+ACN+2H"	43.041102
"199374"	686.76116	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+2Na-H"	44.97116
"641121"	1007.65616	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+2Na-H"	44.97116
"1142439"	365.86616	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2Na-H"	44.97116
"182451"	343.884218	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+2Na"	45.978436
"619819"	504.331718	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+2Na"	45.978436
"1124420"	183.436718	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2Na"	45.978436
"1405758"	122.626904	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H+2Na"	46.985712
"1434591"	367.907746	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H+HCOOH"	47.012746
"221732"	348.91724	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+3H2O+2H"	56.04448
"1509430"	381.95979	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+IsoProp+H"	61.06479
"410941"	351.871188	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+Na+K"	61.952376
"773031"	512.318688	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+Na+K"	61.952376
"1668272"	191.423688	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Na+K"	61.952376
"254793"	705.805768	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+ACN+Na"	64.015768
"1234062"	384.910768	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+ACN+Na"	64.015768
"1719671"	384.934293	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+NH4+HCOOH"	64.039293
"1193617"	129.954218	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+3Na"	68.967654
"1659297"	389.889688	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Na+HCOOH"	68.994688
"170533"	718.70904	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+2K-H"	76.91904
"606813"	1039.60404	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+2K-H"	76.91904
"1095701"	397.81404	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2K-H"	76.91904
"148144"	359.858158	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"2M+2K"	77.926316
"585517"	520.305658	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"3M+2K"	77.926316
"1074402"	199.410658	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2K"	77.926316
"1106519"	399.828592	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2K+H"	78.933592
"1342902"	399.916207	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+DMSO+H"	79.021207
"1007786"	403.955376	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2ACN+H"	83.060376
"1528462"	404.949008	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+IsoProp+Na+H"	84.054008
"992725"	202.481326	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+2ACN+2H"	84.067652
"1590509"	405.863628	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+K+HCOOH"	84.968628
"1417266"	435.895138	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+H+CF3COOH"	115.000138
"1151930"	222.994601	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+3ACN+2H"	125.094202
"1710232"	452.921685	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+NH4+CF3COOH"	132.026685
"1639321"	457.87708	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+Na+CF3COOH"	136.98208
"1585908"	473.85102	"C14520"	"Chlorpyrifos-methyl;Chloropyriphos-methyl"	"C7H7Cl3NO3PS"	"320.895"	"M+K+CF3COOH"	152.95602
"803152"	249.8629	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M"	0
"983247"	230.84451	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H2O-H"	-19.01839
"73677"	165.567990666667	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-3H"	-3.021828
"508863"	248.855624	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-3H"	-3.021828
"889949"	82.2803573333333	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-3H"	-3.021828
"1970"	248.855624	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H"	-2.014552
"449185"	373.787074	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H"	-2.014552
"826986"	123.924174	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H"	-2.014552
"89166"	498.718524	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-H"	-1.007276
"523624"	748.581424	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-H"	-1.007276
"907620"	248.855624	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H"	-1.007276
"60536"	515.745071	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H+NH4"	16.019271
"497182"	765.607971	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H+NH4"	16.019271
"877173"	265.882171	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H+NH4"	16.019271
"41793"	520.700466	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H+Na"	20.974666
"482448"	770.563366	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H+Na"	20.974666
"852597"	270.837566	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H+Na"	20.974666
"1622129"	270.837566	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na-2H"	20.974666
"100845"	266.843963	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-H+Cl"	33.962126
"547938"	391.775413	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-H+Cl"	33.962126
"936106"	141.912513	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+Cl"	33.962126
"275757"	534.695202	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Cl"	34.969402
"668178"	784.558102	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+Cl"	34.969402
"1281680"	284.832302	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl"	34.969402
"22050"	536.674406	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H+K"	36.948606
"461608"	786.537306	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H+K"	36.948606
"845241"	286.811506	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H+K"	36.948606
"1562897"	286.811506	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K-2H"	36.948606
"955884"	294.861094	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+HCOOH"	44.998194
"370090"	544.724001	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+HCOOH-H"	44.998201
"356160"	558.739651	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Hac-H"	59.013851
"1503171"	308.876751	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Hac-H"	59.013851
"968160"	316.843051	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+NaCOOH"	66.980151
"124967"	284.832302	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2Cl"	69.938804
"561732"	409.763752	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2Cl"	69.938804
"1028707"	159.900852	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2Cl"	69.938804
"1256796"	328.781785	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Br"	78.918885
"1311829"	330.837772	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl+HCOOH"	80.974872
"1332610"	352.819729	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl+NaCOOH"	102.956829
"926922"	362.848486	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+CF3COOH"	112.985586
"1302198"	398.825164	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl+CF3COOH"	148.962264
"1381099"	214.850224	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H-2H2O"	-35.012676
"1397136"	232.8602	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H-H2O"	-17.0027
"297550"	500.733076	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H"	1.007276
"690702"	750.595976	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H"	1.007276
"1365959"	250.870176	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H"	1.007276
"141159"	250.870176	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2H"	2.014552
"581301"	375.801626	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2H"	2.014552
"1052189"	125.938726	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2H"	2.014552
"218024"	167.582542666667	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+3H"	3.021828
"657579"	250.870176	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+3H"	3.021828
"1169143"	84.2949093333333	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+3H"	3.021828
"437161"	517.759623	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+NH4"	18.033823
"799616"	767.622523	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+NH4"	18.033823
"1694853"	267.896723	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+NH4"	18.033823
"343499"	259.3834495	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H+NH4"	19.041099
"734828"	384.3148995	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H+NH4"	19.041099
"1490834"	134.4519995	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+NH4"	19.041099
"406962"	522.715018	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Na"	22.989218
"767228"	772.577918	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+Na"	22.989218
"1612046"	272.852118	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na"	22.989218
"320990"	261.861147	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H+Na"	23.996494
"714505"	386.792597	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H+Na"	23.996494
"1472699"	136.929697	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+Na"	23.996494
"1064851"	91.6222233333333	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2H+Na"	25.00377
"1268717"	282.896386	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+CH3OH+H"	33.033486
"387292"	538.688958	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+K"	38.963158
"749384"	788.551858	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+K"	38.963158
"1547060"	288.826058	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K"	38.963158
"306422"	269.848117	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H+K"	39.970434
"698845"	394.779567	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H+K"	39.970434
"1452664"	144.916667	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+K"	39.970434
"245642"	541.759626	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+ACN+H"	42.033826
"1221631"	291.896726	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+ACN+H"	42.033826
"1206248"	146.452001	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+ACN+2H"	43.041102
"201673"	544.69696	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2Na-H"	44.97116
"640866"	794.55986	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2Na-H"	44.97116
"1143641"	294.83406	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2Na-H"	44.97116
"178183"	272.852118	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2Na"	45.978436
"617749"	397.783568	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2Na"	45.978436
"1120154"	147.920668	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2Na"	45.978436
"1402585"	98.9495373333333	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+2Na"	46.985712
"1432879"	296.875646	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+HCOOH"	47.012746
"221479"	277.88514	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+3H2O+2H"	56.04448
"1509902"	310.92769	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+IsoProp+H"	61.06479
"408788"	280.839088	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Na+K"	61.952376
"771318"	405.770538	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+Na+K"	61.952376
"1666191"	155.907638	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na+K"	61.952376
"252717"	563.741568	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+ACN+Na"	64.015768
"1231986"	313.878668	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+ACN+Na"	64.015768
"1718688"	313.902193	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+NH4+HCOOH"	64.039293
"1194124"	106.276851333333	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+3Na"	68.967654
"1662687"	318.857588	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na+HCOOH"	68.994688
"172798"	576.64484	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2K-H"	76.91904
"610204"	826.50774	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2K-H"	76.91904
"1092530"	326.78194	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2K-H"	76.91904
"150441"	288.826058	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2K"	77.926316
"587815"	413.757508	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2K"	77.926316
"1074512"	163.894608	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2K"	77.926316
"1107722"	328.796492	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2K+H"	78.933592
"1343012"	328.884107	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+DMSO+H"	79.021207
"1007531"	332.923276	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2ACN+H"	83.060376
"1528571"	333.916908	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+IsoProp+Na+H"	84.054008
"992106"	166.965276	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2ACN+2H"	84.067652
"1590618"	334.831528	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K+HCOOH"	84.968628
"1416282"	364.863038	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+CF3COOH"	115.000138
"1150947"	187.478551	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+3ACN+2H"	125.094202
"1707062"	381.889585	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+NH4+CF3COOH"	132.026685
"1638338"	386.84498	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na+CF3COOH"	136.98208
"1586018"	402.81892	"C14521"	"24-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K+CF3COOH"	152.95602
"803626"	120.0939	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M"	0
"983357"	101.07551	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-H2O-H"	-19.01839
"66132"	79.055324	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M-3H"	-3.021828
"507880"	119.086624	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M-3H"	-3.021828
"890059"	39.024024	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-3H"	-3.021828
"5360"	119.086624	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M-2H"	-2.014552
"449295"	179.133574	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M-2H"	-2.014552
"829284"	59.039674	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-2H"	-2.014552
"89277"	239.180524	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M-H"	-1.007276
"525557"	359.274424	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M-H"	-1.007276
"905545"	119.086624	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-H"	-1.007276
"59916"	256.207071	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M-2H+NH4"	16.019271
"494012"	376.300971	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M-2H+NH4"	16.019271
"876190"	136.113171	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-2H+NH4"	16.019271
"42997"	261.162466	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M-2H+Na"	20.974666
"480371"	381.256366	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M-2H+Na"	20.974666
"849427"	141.068566	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-2H+Na"	20.974666
"1620780"	141.068566	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Na-2H"	20.974666
"98768"	137.074963	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M-H+Cl"	33.962126
"548169"	197.121913	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M-H+Cl"	33.962126
"936216"	77.028013	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-H+Cl"	33.962126
"274774"	275.157202	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+Cl"	34.969402
"667195"	395.251102	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+Cl"	34.969402
"1280696"	155.063302	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Cl"	34.969402
"22160"	277.136406	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M-2H+K"	36.948606
"461718"	397.230306	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M-2H+K"	36.948606
"843892"	157.042506	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-2H+K"	36.948606
"1564100"	157.042506	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+K-2H"	36.948606
"953442"	165.092094	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-H+HCOOH"	44.998194
"370200"	285.186001	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+HCOOH-H"	44.998201
"356270"	299.201651	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+Hac-H"	59.013851
"1503281"	179.107751	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Hac-H"	59.013851
"967906"	187.074051	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-H+NaCOOH"	66.980151
"123376"	155.063302	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+2Cl"	69.938804
"561842"	215.110252	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+2Cl"	69.938804
"1028817"	95.016352	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2Cl"	69.938804
"1255934"	199.012785	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Br"	78.918885
"1311939"	201.068772	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Cl+HCOOH"	80.974872
"1333085"	223.050729	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Cl+NaCOOH"	102.956829
"926585"	233.079486	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M-H+CF3COOH"	112.985586
"1300122"	269.056164	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Cl+CF3COOH"	148.962264
"1382429"	85.081224	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H-2H2O"	-35.012676
"1397610"	103.0912	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H-H2O"	-17.0027
"298188"	241.195076	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+H"	1.007276
"689719"	361.288976	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+H"	1.007276
"1364609"	121.101176	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H"	1.007276
"140781"	121.101176	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+2H"	2.014552
"579612"	181.148126	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+2H"	2.014552
"1050840"	61.054226	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2H"	2.014552
"217768"	81.069876	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+3H"	3.021828
"657325"	121.101176	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+3H"	3.021828
"1170346"	41.038576	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+3H"	3.021828
"436905"	258.221623	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+NH4"	18.033823
"796806"	378.315523	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+NH4"	18.033823
"1693502"	138.127723	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+NH4"	18.033823
"341783"	129.6144495	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+H+NH4"	19.041099
"734935"	189.6613995	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+H+NH4"	19.041099
"1484383"	69.5674995	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H+NH4"	19.041099
"403062"	263.177018	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+Na"	22.989218
"765151"	383.270918	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+Na"	22.989218
"1612156"	143.083118	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Na"	22.989218
"321100"	132.092147	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+H+Na"	23.996494
"714615"	192.139097	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+H+Na"	23.996494
"1472809"	72.045197	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H+Na"	23.996494
"1066054"	48.36589	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2H+Na"	25.00377
"1268827"	153.127386	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+CH3OH+H"	33.033486
"386308"	279.150958	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+K"	38.963158
"749494"	399.244858	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+K"	38.963158
"1551548"	159.057058	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+K"	38.963158
"305439"	140.079117	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+H+K"	39.970434
"696038"	200.126067	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+H+K"	39.970434
"1452775"	80.032167	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H+K"	39.970434
"245752"	282.221626	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+ACN+H"	42.033826
"1217367"	162.127726	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+ACN+H"	42.033826
"1204535"	81.567501	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+ACN+2H"	43.041102
"199594"	285.15896	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+2Na-H"	44.97116
"635873"	405.25286	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+2Na-H"	44.97116
"1140471"	165.06506	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2Na-H"	44.97116
"178293"	143.083118	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+2Na"	45.978436
"618952"	203.130068	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+2Na"	45.978436
"1120992"	83.036168	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2Na"	45.978436
"1403059"	55.693204	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H+2Na"	46.985712
"1432625"	167.106646	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H+HCOOH"	47.012746
"221346"	148.11614	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+3H2O+2H"	56.04448
"1510375"	181.15869	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+H"	61.06479
"409332"	151.070088	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+Na+K"	61.952376
"770282"	211.117038	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+Na+K"	61.952376
"1665699"	91.023138	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Na+K"	61.952376
"255377"	304.203568	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+ACN+Na"	64.015768
"1226381"	184.109668	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+ACN+Na"	64.015768
"1715518"	184.133193	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+NH4+HCOOH"	64.039293
"1187437"	63.020518	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+3Na"	68.967654
"1662797"	189.088588	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Na+HCOOH"	68.994688
"172623"	317.10684	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+2K-H"	76.91904
"603023"	437.20074	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+2K-H"	76.91904
"1091547"	197.01294	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2K-H"	76.91904
"148363"	159.057058	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"2M+2K"	77.926316
"589017"	219.104008	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"3M+2K"	77.926316
"1074623"	99.010108	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2K"	77.926316
"1103093"	199.027492	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2K+H"	78.933592
"1338019"	199.115107	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+DMSO+H"	79.021207
"1006546"	203.154276	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2ACN+H"	83.060376
"1525403"	204.147908	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+Na+H"	84.054008
"990515"	102.080776	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+2ACN+2H"	84.067652
"1588906"	205.062528	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+K+HCOOH"	84.968628
"1418579"	235.094038	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+H+CF3COOH"	115.000138
"1149964"	122.594051	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+3ACN+2H"	125.094202
"1707172"	252.120585	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+NH4+CF3COOH"	132.026685
"1639541"	257.07598	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+Na+CF3COOH"	136.98208
"1586128"	273.04992	"C14522"	"3-Ethyltoluene;1-Methyl-3-ethylbenzene"	"C9H12"	"120.0939"	"M+K+CF3COOH"	152.95602
"815400"	230.1518	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M"	0
"982374"	211.13341	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-H2O-H"	-19.01839
"67335"	152.427257333333	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M-3H"	-3.021828
"506896"	229.144524	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M-3H"	-3.021828
"890169"	75.7099906666667	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-3H"	-3.021828
"6564"	229.144524	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M-2H"	-2.014552
"449405"	344.220424	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M-2H"	-2.014552
"828301"	114.068624	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-2H"	-2.014552
"88294"	459.296324	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M-H"	-1.007276
"525667"	689.448124	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M-H"	-1.007276
"907841"	229.144524	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-H"	-1.007276
"60026"	476.322871	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M-2H+NH4"	16.019271
"497402"	706.474671	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M-2H+NH4"	16.019271
"876300"	246.171071	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-2H+NH4"	16.019271
"44200"	481.278266	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M-2H+Na"	20.974666
"482669"	711.430066	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M-2H+Na"	20.974666
"849537"	251.126466	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-2H+Na"	20.974666
"1618604"	251.126466	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Na-2H"	20.974666
"107626"	247.132863	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M-H+Cl"	33.962126
"547915"	362.208763	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M-H+Cl"	33.962126
"935234"	132.056963	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-H+Cl"	33.962126
"274883"	495.273002	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+Cl"	34.969402
"666212"	725.424802	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+Cl"	34.969402
"1276433"	265.121202	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Cl"	34.969402
"22270"	497.252206	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M-2H+K"	36.948606
"461828"	727.404006	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M-2H+K"	36.948606
"845097"	267.100406	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-2H+K"	36.948606
"1566399"	267.100406	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+K-2H"	36.948606
"956467"	275.149994	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-H+HCOOH"	44.998194
"374687"	505.301801	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+HCOOH-H"	44.998201
"359297"	519.317451	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+Hac-H"	59.013851
"1507035"	289.165651	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Hac-H"	59.013851
"972392"	297.131951	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-H+NaCOOH"	66.980151
"124579"	265.121202	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+2Cl"	69.938804
"561223"	380.197102	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+2Cl"	69.938804
"1028927"	150.045302	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2Cl"	69.938804
"1255438"	309.070685	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Br"	78.918885
"1316422"	311.126672	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Cl+HCOOH"	80.974872
"1332830"	333.108629	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Cl+NaCOOH"	102.956829
"926081"	343.137386	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M-H+CF3COOH"	112.985586
"1302054"	379.114064	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Cl+CF3COOH"	148.962264
"1379858"	195.139124	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H-2H2O"	-35.012676
"1397479"	213.1491	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H-H2O"	-17.0027
"297652"	461.310876	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+H"	1.007276
"690194"	691.462676	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+H"	1.007276
"1365450"	231.159076	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H"	1.007276
"140891"	231.159076	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+2H"	2.014552
"578265"	346.234976	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+2H"	2.014552
"1050708"	116.083176	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2H"	2.014552
"218245"	154.441809333333	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+3H"	3.021828
"657799"	231.159076	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+3H"	3.021828
"1170457"	77.7245426666667	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+3H"	3.021828
"437745"	478.337423	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+NH4"	18.033823
"798012"	708.489223	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+NH4"	18.033823
"1695072"	248.185623	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+NH4"	18.033823
"342623"	239.6723495	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+H+NH4"	19.041099
"735409"	354.7482495	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+H+NH4"	19.041099
"1486679"	124.5964495	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H+NH4"	19.041099
"402075"	483.292818	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+Na"	22.989218
"765259"	713.444618	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+Na"	22.989218
"1611170"	253.141018	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Na"	22.989218
"322303"	242.150047	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+H+Na"	23.996494
"714725"	357.225947	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+H+Na"	23.996494
"1472919"	127.074147	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H+Na"	23.996494
"1066164"	85.0518566666667	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2H+Na"	25.00377
"1267842"	263.185286	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+CH3OH+H"	33.033486
"386420"	499.266758	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+K"	38.963158
"748511"	729.418558	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+K"	38.963158
"1552391"	269.114958	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+K"	38.963158
"307738"	250.137017	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+H+K"	39.970434
"696880"	365.212917	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+H+K"	39.970434
"1451794"	135.061117	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H+K"	39.970434
"244769"	502.337426	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+ACN+H"	42.033826
"1217479"	272.185626	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+ACN+H"	42.033826
"1208293"	136.596451	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+ACN+2H"	43.041102
"198612"	505.27476	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+2Na-H"	44.97116
"638170"	735.42656	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+2Na-H"	44.97116
"1141676"	275.12296	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2Na-H"	44.97116
"180590"	253.141018	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+2Na"	45.978436
"620155"	368.216918	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+2Na"	45.978436
"1126936"	138.065118	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2Na"	45.978436
"1403899"	92.3791706666667	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H+2Na"	46.985712
"1433095"	277.164546	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H+HCOOH"	47.012746
"222791"	258.17404	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+3H2O+2H"	56.04448
"1510486"	291.21659	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+IsoProp+H"	61.06479
"411268"	261.127988	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+Na+K"	61.952376
"771538"	376.203888	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+Na+K"	61.952376
"1667868"	146.052088	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Na+K"	61.952376
"258403"	524.319368	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+ACN+Na"	64.015768
"1231114"	294.167568	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+ACN+Na"	64.015768
"1718908"	294.191093	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+NH4+HCOOH"	64.039293
"1187547"	99.7064846666667	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+3Na"	68.967654
"1664609"	299.146488	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Na+HCOOH"	68.994688
"172533"	537.22264	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+2K-H"	76.91904
"607143"	767.37444	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+2K-H"	76.91904
"1091657"	307.07084	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2K-H"	76.91904
"150658"	269.114958	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"2M+2K"	77.926316
"593501"	384.190858	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"3M+2K"	77.926316
"1075826"	154.039058	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2K"	77.926316
"1104662"	309.085392	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2K+H"	78.933592
"1339952"	309.173007	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+DMSO+H"	79.021207
"1009576"	313.212176	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2ACN+H"	83.060376
"1527701"	314.205808	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+IsoProp+Na+H"	84.054008
"995243"	157.109726	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+2ACN+2H"	84.067652
"1591934"	315.120428	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+K+HCOOH"	84.968628
"1416500"	345.151938	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+H+CF3COOH"	115.000138
"1151166"	177.623001	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+3ACN+2H"	125.094202
"1710562"	362.178485	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+NH4+CF3COOH"	132.026685
"1639651"	367.13388	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+Na+CF3COOH"	136.98208
"1576397"	383.10782	"C14523"	"Diisopropyl adipate"	"C12H22O4"	"230.1518"	"M+K+CF3COOH"	152.95602
"806762"	451.1595	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M"	0
"983577"	432.14111	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-H2O-H"	-19.01839
"69631"	299.765724	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M-3H"	-3.021828
"508099"	450.152224	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M-3H"	-3.021828
"886997"	149.379224	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-3H"	-3.021828
"6674"	450.152224	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M-2H"	-2.014552
"447328"	675.731974	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M-2H"	-2.014552
"828411"	224.572474	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-2H"	-2.014552
"87310"	901.311724	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M-H"	-1.007276
"523590"	1352.471224	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M-H"	-1.007276
"907950"	450.152224	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-H"	-1.007276
"60136"	918.338271	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M-2H+NH4"	16.019271
"497512"	1369.497771	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M-2H+NH4"	16.019271
"873130"	467.178771	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-2H+NH4"	16.019271
"44312"	923.293666	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M-2H+Na"	20.974666
"482778"	1374.453166	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M-2H+Na"	20.974666
"852927"	472.134166	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-2H+Na"	20.974666
"1620273"	472.134166	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Na-2H"	20.974666
"107737"	468.140563	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M-H+Cl"	33.962126
"548026"	693.720313	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M-H+Cl"	33.962126
"939718"	242.560813	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-H+Cl"	33.962126
"276086"	937.288402	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+Cl"	34.969402
"667415"	1388.447902	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+Cl"	34.969402
"1280916"	486.128902	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Cl"	34.969402
"25659"	939.267606	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M-2H+K"	36.948606
"459751"	1390.427106	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M-2H+K"	36.948606
"837554"	488.108106	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-2H+K"	36.948606
"1564323"	488.108106	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+K-2H"	36.948606
"951111"	496.157694	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-H+HCOOH"	44.998194
"369326"	947.317201	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+HCOOH-H"	44.998201
"359771"	961.332851	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+Hac-H"	59.013851
"1507509"	510.173351	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Hac-H"	59.013851
"972867"	518.139651	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-H+NaCOOH"	66.980151
"124812"	486.128902	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+2Cl"	69.938804
"558051"	711.708652	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+2Cl"	69.938804
"1031224"	260.549152	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2Cl"	69.938804
"1247521"	530.078385	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Br"	78.918885
"1317261"	532.134372	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Cl+HCOOH"	80.974872
"1332943"	554.116329	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Cl+NaCOOH"	102.956829
"923994"	564.145086	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M-H+CF3COOH"	112.985586
"1302772"	600.121764	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Cl+CF3COOH"	148.962264
"1379968"	416.146824	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H-2H2O"	-35.012676
"1398158"	434.1568	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H-H2O"	-17.0027
"297761"	903.326276	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+H"	1.007276
"688481"	1354.485776	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+H"	1.007276
"1365195"	452.166776	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H"	1.007276
"139908"	452.166776	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+2H"	2.014552
"579468"	677.746526	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+2H"	2.014552
"1050818"	226.587026	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2H"	2.014552
"217626"	301.780276	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+3H"	3.021828
"656452"	452.166776	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+3H"	3.021828
"1169473"	151.393776	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+3H"	3.021828
"436034"	920.352823	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+NH4"	18.033823
"797394"	1371.512323	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+NH4"	18.033823
"1692632"	469.193323	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+NH4"	18.033823
"342732"	460.6800495	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+H+NH4"	19.041099
"734790"	686.2597995	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+H+NH4"	19.041099
"1485694"	235.1002995	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H+NH4"	19.041099
"402185"	925.308218	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+Na"	22.989218
"762089"	1376.467718	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+Na"	22.989218
"1611280"	474.148718	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Na"	22.989218
"325691"	463.157747	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+H+Na"	23.996494
"715928"	688.737497	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+H+Na"	23.996494
"1473029"	237.577997	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H+Na"	23.996494
"1066274"	158.72109	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2H+Na"	25.00377
"1267952"	484.192986	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+CH3OH+H"	33.033486
"387623"	941.282158	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+K"	38.963158
"747524"	1392.441658	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+K"	38.963158
"1552862"	490.122658	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+K"	38.963158
"302379"	471.144717	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+H+K"	39.970434
"695167"	696.724467	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+H+K"	39.970434
"1451903"	245.564967	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H+K"	39.970434
"241599"	944.352826	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+ACN+H"	42.033826
"1215402"	493.193326	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+ACN+H"	42.033826
"1206942"	247.100301	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+ACN+2H"	43.041102
"200907"	947.29016	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+2Na-H"	44.97116
"640467"	1398.44966	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+2Na-H"	44.97116
"1139599"	496.13066	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2Na-H"	44.97116
"183980"	474.148718	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+2Na"	45.978436
"623545"	699.728468	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+2Na"	45.978436
"1123766"	248.568968	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2Na"	45.978436
"1404373"	166.048404	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H+2Na"	46.985712
"1435031"	498.172246	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H+HCOOH"	47.012746
"221809"	479.18174	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+3H2O+2H"	56.04448
"1512060"	512.22429	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+IsoProp+H"	61.06479
"411013"	482.135688	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+Na+K"	61.952376
"770920"	707.715438	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+Na+K"	61.952376
"1667614"	256.555938	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Na+K"	61.952376
"253408"	966.334768	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+ACN+Na"	64.015768
"1234504"	515.175268	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+ACN+Na"	64.015768
"1719018"	515.198793	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+NH4+HCOOH"	64.039293
"1186564"	173.375718	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+3Na"	68.967654
"1658643"	520.154188	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Na+HCOOH"	68.994688
"172791"	979.23804	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+2K-H"	76.91904
"608346"	1430.39754	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+2K-H"	76.91904
"1095047"	528.07854	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2K-H"	76.91904
"149675"	490.122658	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"2M+2K"	77.926316
"593611"	715.702408	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"3M+2K"	77.926316
"1075936"	264.542908	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2K"	77.926316
"1103678"	530.093092	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2K+H"	78.933592
"1341154"	530.180707	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+DMSO+H"	79.021207
"1009685"	534.219876	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2ACN+H"	83.060376
"1528904"	535.213508	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+IsoProp+Na+H"	84.054008
"996446"	267.613576	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+2ACN+2H"	84.067652
"1592043"	536.128128	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+K+HCOOH"	84.968628
"1418796"	566.159638	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+H+CF3COOH"	115.000138
"1151640"	288.126851	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+3ACN+2H"	125.094202
"1709579"	583.186185	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+NH4+CF3COOH"	132.026685
"1638668"	588.14158	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+Na+CF3COOH"	136.98208
"1579787"	604.11552	"C14524"	"Flucythrinate"	"C26H23F2NO4"	"451.1595"	"M+K+CF3COOH"	152.95602
"806872"	298.0776	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M"	0
"983687"	279.05921	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-H2O-H"	-19.01839
"67555"	197.711124	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M-3H"	-3.021828
"506023"	297.070324	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M-3H"	-3.021828
"886014"	98.351924	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-3H"	-3.021828
"2410"	297.070324	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M-2H"	-2.014552
"446344"	446.109124	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M-2H"	-2.014552
"828156"	148.031524	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-2H"	-2.014552
"83046"	595.147924	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M-H"	-1.007276
"522607"	893.225524	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M-H"	-1.007276
"908060"	297.070324	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-H"	-1.007276
"56966"	612.174471	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M-2H+NH4"	16.019271
"497622"	910.252071	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M-2H+NH4"	16.019271
"871053"	314.096871	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-2H+NH4"	16.019271
"43327"	617.129866	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M-2H+Na"	20.974666
"480704"	915.207466	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M-2H+Na"	20.974666
"854131"	319.052266	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-2H+Na"	20.974666
"1626943"	319.052266	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Na-2H"	20.974666
"107846"	315.058663	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M-H+Cl"	33.962126
"546314"	464.097463	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M-H+Cl"	33.962126
"937643"	166.019863	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-H+Cl"	33.962126
"277290"	631.124602	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+Cl"	34.969402
"667526"	929.202202	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+Cl"	34.969402
"1277744"	333.047002	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Cl"	34.969402
"23581"	633.103806	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M-2H+K"	36.948606
"456818"	931.181406	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M-2H+K"	36.948606
"835474"	335.026206	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-2H+K"	36.948606
"1558963"	335.026206	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+K-2H"	36.948606
"951219"	343.075794	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-H+HCOOH"	44.998194
"369435"	641.153401	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+HCOOH-H"	44.998201
"359880"	655.169051	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+Hac-H"	59.013851
"1506526"	357.091451	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Hac-H"	59.013851
"968600"	365.057751	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-H+NaCOOH"	66.980151
"117507"	333.047002	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+2Cl"	69.938804
"561441"	482.085802	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+2Cl"	69.938804
"1031334"	184.008202	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2Cl"	69.938804
"1246538"	376.996485	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Br"	78.918885
"1318465"	379.052472	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Cl+HCOOH"	80.974872
"1334146"	401.034429	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Cl+NaCOOH"	102.956829
"924104"	411.063186	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M-H+CF3COOH"	112.985586
"1303003"	447.039864	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Cl+CF3COOH"	148.962264
"1380078"	263.064924	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H-2H2O"	-35.012676
"1398227"	281.0749	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H-H2O"	-17.0027
"297994"	597.162476	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+H"	1.007276
"688227"	895.240076	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+H"	1.007276
"1365547"	299.084876	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H"	1.007276
"138560"	299.084876	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+2H"	2.014552
"579213"	448.123676	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+2H"	2.014552
"1051292"	150.046076	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2H"	2.014552
"218825"	199.725676	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+3H"	3.021828
"651456"	299.084876	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+3H"	3.021828
"1169219"	100.366476	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+3H"	3.021828
"435779"	614.189023	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+NH4"	18.033823
"798961"	912.266623	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+NH4"	18.033823
"1692013"	316.111423	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+NH4"	18.033823
"342113"	307.5981495	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+H+NH4"	19.041099
"735993"	456.6369495	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+H+NH4"	19.041099
"1485804"	158.5593495	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H+NH4"	19.041099
"404482"	619.144418	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+Na"	22.989218
"763292"	917.222018	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+Na"	22.989218
"1611390"	321.066818	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Na"	22.989218
"325801"	310.075847	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+H+Na"	23.996494
"719317"	459.114647	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+H+Na"	23.996494
"1474599"	161.037047	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H+Na"	23.996494
"1065293"	107.69379	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2H+Na"	25.00377
"1265874"	331.111086	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+CH3OH+H"	33.033486
"387734"	635.118358	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+K"	38.963158
"746541"	933.195958	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+K"	38.963158
"1547505"	337.040758	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+K"	38.963158
"302489"	318.062817	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+H+K"	39.970434
"696006"	467.101617	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+H+K"	39.970434
"1449827"	169.024017	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H+K"	39.970434
"239155"	638.189026	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+ACN+H"	42.033826
"1217699"	340.111426	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+ACN+H"	42.033826
"1204865"	170.559351	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+ACN+2H"	43.041102
"198830"	641.12636	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+2Na-H"	44.97116
"637295"	939.20396	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+2Na-H"	44.97116
"1139710"	343.04876	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2Na-H"	44.97116
"178624"	321.066818	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+2Na"	45.978436
"622561"	470.105618	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+2Na"	45.978436
"1122785"	172.028018	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2Na"	45.978436
"1406308"	115.021104	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H+2Na"	46.985712
"1432954"	345.090346	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H+HCOOH"	47.012746
"222283"	326.09984	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+3H2O+2H"	56.04448
"1510708"	359.14239	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+IsoProp+H"	61.06479
"409056"	329.053788	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+Na+K"	61.952376
"772122"	478.092588	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+Na+K"	61.952376
"1669549"	180.014988	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Na+K"	61.952376
"257165"	660.170968	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+ACN+Na"	64.015768
"1237897"	362.093368	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+ACN+Na"	64.015768
"1720221"	362.116893	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+NH4+HCOOH"	64.039293
"1186674"	122.348418	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+3Na"	68.967654
"1658753"	367.072288	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Na+HCOOH"	68.994688
"172794"	673.07424	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+2K-H"	76.91904
"608456"	971.15184	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+2K-H"	76.91904
"1095158"	374.99664	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2K-H"	76.91904
"148691"	337.040758	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"2M+2K"	77.926316
"590441"	486.079558	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"3M+2K"	77.926316
"1074952"	188.001958	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2K"	77.926316
"1104881"	377.011192	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2K+H"	78.933592
"1340170"	377.098807	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+DMSO+H"	79.021207
"1013072"	381.137976	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2ACN+H"	83.060376
"1533389"	382.131608	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+IsoProp+Na+H"	84.054008
"997649"	191.072626	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+2ACN+2H"	84.067652
"1592152"	383.046228	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+K+HCOOH"	84.968628
"1417813"	413.077738	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+H+CF3COOH"	115.000138
"1150657"	211.585901	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+3ACN+2H"	125.094202
"1707502"	430.104285	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+NH4+CF3COOH"	132.026685
"1638778"	435.05968	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+Na+CF3COOH"	136.98208
"1579897"	451.03362	"C14525"	"Mefenacet;2-(13-Benzothiazol-2-yloxy)-N-methylacetanilide"	"C16H14N2O2S"	"298.0776"	"M+K+CF3COOH"	152.95602
"806982"	265.15	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M"	0
"980517"	246.13161	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-H2O-H"	-19.01839
"64749"	175.759390666667	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M-3H"	-3.021828
"506135"	264.142724	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M-3H"	-3.021828
"887217"	87.3760573333333	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-3H"	-3.021828
"1791"	264.142724	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M-2H"	-2.014552
"445361"	396.717724	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M-2H"	-2.014552
"826443"	131.567724	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-2H"	-2.014552
"82063"	529.292724	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M-H"	-1.007276
"524904"	794.442724	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M-H"	-1.007276
"908170"	264.142724	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-H"	-1.007276
"57076"	546.319271	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M-2H+NH4"	16.019271
"498824"	811.469271	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M-2H+NH4"	16.019271
"871163"	281.169271	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-2H+NH4"	16.019271
"42344"	551.274666	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M-2H+Na"	20.974666
"479721"	816.424666	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M-2H+Na"	20.974666
"852054"	286.124666	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-2H+Na"	20.974666
"1628147"	286.124666	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Na-2H"	20.974666
"104676"	282.131063	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M-H+Cl"	33.962126
"545331"	414.706063	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M-H+Cl"	33.962126
"938846"	149.556063	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-H+Cl"	33.962126
"278130"	565.269402	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+Cl"	34.969402
"667636"	830.419402	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+Cl"	34.969402
"1275667"	300.119402	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Cl"	34.969402
"21504"	567.248606	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M-2H+K"	36.948606
"458874"	832.398606	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M-2H+K"	36.948606
"836678"	302.098606	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-2H+K"	36.948606
"1557979"	302.098606	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+K-2H"	36.948606
"948049"	310.148194	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-H+HCOOH"	44.998194
"367358"	575.298201	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+HCOOH-H"	44.998201
"358897"	589.313851	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+Hac-H"	59.013851
"1506636"	324.163851	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Hac-H"	59.013851
"968710"	332.130151	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-H+NaCOOH"	66.980151
"120897"	300.119402	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+2Cl"	69.938804
"561551"	432.694402	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+2Cl"	69.938804
"1031444"	167.544402	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2Cl"	69.938804
"1248835"	344.068885	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Br"	78.918885
"1313471"	346.124872	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Cl+HCOOH"	80.974872
"1331697"	368.106829	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Cl+NaCOOH"	102.956829
"918745"	378.135586	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M-H+CF3COOH"	112.985586
"1296546"	414.112264	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Cl+CF3COOH"	148.962264
"1382015"	230.137324	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H-2H2O"	-35.012676
"1396229"	248.1473	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H-H2O"	-17.0027
"293728"	531.307276	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+H"	1.007276
"687244"	796.457276	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+H"	1.007276
"1366023"	266.157276	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H"	1.007276
"139397"	266.157276	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+2H"	2.014552
"580055"	398.732276	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+2H"	2.014552
"1051037"	133.582276	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2H"	2.014552
"217114"	177.773942666667	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+3H"	3.021828
"657278"	266.157276	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+3H"	3.021828
"1169691"	89.3906093333333	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+3H"	3.021828
"434798"	548.333823	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+NH4"	18.033823
"796521"	813.483823	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+NH4"	18.033823
"1692488"	283.183823	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+NH4"	18.033823
"340766"	274.6705495	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+H+NH4"	19.041099
"735010"	407.2455495	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+H+NH4"	19.041099
"1485914"	142.0955495	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H+NH4"	19.041099
"404958"	553.289218	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+Na"	22.989218
"763402"	818.439218	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+Na"	22.989218
"1608219"	288.139218	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Na"	22.989218
"326276"	277.148247	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+H+Na"	23.996494
"719064"	409.723247	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+H+Na"	23.996494
"1467785"	144.573247	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H+Na"	23.996494
"1062850"	96.7179233333333	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2H+Na"	25.00377
"1264891"	298.183486	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+CH3OH+H"	33.033486
"381285"	569.263158	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+K"	38.963158
"743008"	834.413158	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+K"	38.963158
"1543603"	304.113158	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+K"	38.963158
"301506"	285.135217	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+H+K"	39.970434
"694293"	417.710217	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+H+K"	39.970434
"1457592"	152.560217	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H+K"	39.970434
"240726"	572.333826	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+ACN+H"	42.033826
"1221089"	307.183826	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+ACN+H"	42.033826
"1207893"	154.095551	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+ACN+2H"	43.041102
"198942"	575.27116	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+2Na-H"	44.97116
"638500"	840.42116	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+2Na-H"	44.97116
"1140914"	310.12116	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2Na-H"	44.97116
"182014"	288.139218	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+2Na"	45.978436
"623038"	420.714218	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+2Na"	45.978436
"1125083"	155.564218	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2Na"	45.978436
"1405326"	104.045237333333	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H+2Na"	46.985712
"1438531"	312.162746	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H+HCOOH"	47.012746
"221786"	293.17224	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+3H2O+2H"	56.04448
"1510819"	326.21479	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+IsoProp+H"	61.06479
"411234"	296.126188	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+Na+K"	61.952376
"771864"	428.701188	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+Na+K"	61.952376
"1669295"	163.551188	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Na+K"	61.952376
"257641"	594.315768	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+ACN+Na"	64.015768
"1233631"	329.165768	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+ACN+Na"	64.015768
"1718144"	329.189293	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+NH4+HCOOH"	64.039293
"1186784"	111.372551333333	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+3Na"	68.967654
"1658863"	334.144688	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Na+HCOOH"	68.994688
"169007"	607.21904	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+2K-H"	76.91904
"608567"	872.36904	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+2K-H"	76.91904
"1096361"	342.06904	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2K-H"	76.91904
"152083"	304.113158	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"2M+2K"	77.926316
"585813"	436.688158	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"3M+2K"	77.926316
"1068865"	171.538158	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2K"	77.926316
"1100616"	344.083592	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2K+H"	78.933592
"1341374"	344.171207	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+DMSO+H"	79.021207
"1016462"	348.210376	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2ACN+H"	83.060376
"1526936"	349.204008	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+IsoProp+Na+H"	84.054008
"992654"	174.608826	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+2ACN+2H"	84.067652
"1595542"	350.118628	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+K+HCOOH"	84.968628
"1414271"	380.150138	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+H+CF3COOH"	115.000138
"1147277"	195.122101	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+3ACN+2H"	125.094202
"1707612"	397.176685	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+NH4+CF3COOH"	132.026685
"1636701"	402.13208	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+Na+CF3COOH"	136.98208
"1580007"	418.10602	"C14526"	"Esprocarb"	"C15H23NOS"	"265.15"	"M+K+CF3COOH"	152.95602
"813656"	100.0524	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M"	0
"980628"	81.03401	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-H2O-H"	-19.01839
"65590"	65.694324	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M-3H"	-3.021828
"512807"	99.045124	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M-3H"	-3.021828
"885142"	32.343524	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-3H"	-3.021828
"1537"	99.045124	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M-2H"	-2.014552
"440243"	149.071324	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M-2H"	-2.014552
"825461"	49.018924	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-2H"	-2.014552
"79013"	199.097524	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M-H"	-1.007276
"518730"	299.149924	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M-H"	-1.007276
"905729"	99.045124	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-H"	-1.007276
"57185"	216.124071	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M-2H+NH4"	16.019271
"498570"	316.176471	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M-2H+NH4"	16.019271
"865925"	116.071671	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-2H+NH4"	16.019271
"36985"	221.079466	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M-2H+Na"	20.974666
"480919"	321.131866	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M-2H+Na"	20.974666
"858723"	121.027066	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-2H+Na"	20.974666
"1629349"	121.027066	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Na-2H"	20.974666
"105515"	117.033463	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M-H+Cl"	33.962126
"546169"	167.059663	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M-H+Cl"	33.962126
"940046"	67.007263	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-H+Cl"	33.962126
"279696"	235.074202	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+Cl"	34.969402
"672116"	335.126602	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+Cl"	34.969402
"1276871"	135.021802	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Cl"	34.969402
"21614"	237.053406	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M-2H+K"	36.948606
"456918"	337.105806	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M-2H+K"	36.948606
"838974"	137.001006	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-2H+K"	36.948606
"1562463"	137.001006	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+K-2H"	36.948606
"949252"	145.050594	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-H+HCOOH"	44.998194
"368561"	245.103001	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+HCOOH-H"	44.998201
"351352"	259.118651	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+Hac-H"	59.013851
"1505653"	159.066251	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Hac-H"	59.013851
"969913"	167.032551	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-H+NaCOOH"	66.980151
"122101"	135.021802	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+2Cl"	69.938804
"562755"	185.048002	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+2Cl"	69.938804
"1030461"	84.995602	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2Cl"	69.938804
"1247851"	178.971285	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Br"	78.918885
"1309208"	181.027272	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Cl+HCOOH"	80.974872
"1329985"	203.009229	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Cl+NaCOOH"	102.956829
"918855"	213.037986	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M-H+CF3COOH"	112.985586
"1293376"	249.014664	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Cl+CF3COOH"	148.962264
"1382007"	65.039724	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H-2H2O"	-35.012676
"1398162"	83.0497	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H-H2O"	-17.0027
"294567"	201.112076	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+H"	1.007276
"689540"	301.164476	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+H"	1.007276
"1364797"	101.059676	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H"	1.007276
"139143"	101.059676	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+2H"	2.014552
"578340"	151.085876	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+2H"	2.014552
"1050418"	51.033476	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2H"	2.014552
"216858"	67.708876	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+3H"	3.021828
"654593"	101.059676	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+3H"	3.021828
"1170894"	34.358076	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+3H"	3.021828
"434909"	218.138623	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+NH4"	18.033823
"796995"	318.191023	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+NH4"	18.033823
"1692233"	118.086223	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+NH4"	18.033823
"339418"	109.5729495	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+H+NH4"	19.041099
"736214"	159.5991495	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+H+NH4"	19.041099
"1486024"	59.5467495	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H+NH4"	19.041099
"404338"	223.094018	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+Na"	22.989218
"761324"	323.146418	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+Na"	22.989218
"1616593"	123.041618	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Na"	22.989218
"327115"	112.050647	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+H+Na"	23.996494
"719175"	162.076847	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+H+Na"	23.996494
"1470082"	62.024447	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H+Na"	23.996494
"1062229"	41.68539	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2H+Na"	25.00377
"1267193"	133.085886	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+CH3OH+H"	33.033486
"382487"	239.067958	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+K"	38.963158
"744577"	339.120358	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+K"	38.963158
"1544442"	139.015558	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+K"	38.963158
"311827"	120.037617	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+H+K"	39.970434
"695134"	170.063817	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+H+K"	39.970434
"1458796"	70.011417	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H+K"	39.970434
"245210"	242.138626	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+ACN+H"	42.033826
"1220110"	142.086226	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+ACN+H"	42.033826
"1206184"	71.546751	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+ACN+2H"	43.041102
"200874"	245.07596	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+2Na-H"	44.97116
"639707"	345.12836	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+2Na-H"	44.97116
"1142118"	145.02356	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2Na-H"	44.97116
"181031"	123.041618	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+2Na"	45.978436
"624605"	173.067818	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+2Na"	45.978436
"1126653"	73.015418	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2Na"	45.978436
"1405436"	49.012704	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H+2Na"	46.985712
"1440830"	147.065146	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H+HCOOH"	47.012746
"227246"	128.07464	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+3H2O+2H"	56.04448
"1515309"	161.11719	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+IsoProp+H"	61.06479
"412810"	131.028588	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+Na+K"	61.952376
"773805"	181.054788	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+Na+K"	61.952376
"1672324"	81.002388	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Na+K"	61.952376
"257751"	264.120568	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+ACN+Na"	64.015768
"1238848"	164.068168	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+ACN+Na"	64.015768
"1723722"	164.091693	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+NH4+HCOOH"	64.039293
"1186893"	56.340018	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+3Na"	68.967654
"1660067"	169.047088	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Na+HCOOH"	68.994688
"168023"	277.02384	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+2K-H"	76.91904
"610865"	377.07624	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+2K-H"	76.91904
"1092098"	176.97144	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2K-H"	76.91904
"154381"	139.015558	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"2M+2K"	77.926316
"590660"	189.041758	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"3M+2K"	77.926316
"1071162"	88.989358	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2K"	77.926316
"1105102"	178.985992	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2K+H"	78.933592
"1340393"	179.073607	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+DMSO+H"	79.021207
"1009285"	183.112776	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2ACN+H"	83.060376
"1529236"	184.106408	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+IsoProp+Na+H"	84.054008
"993496"	92.060026	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+2ACN+2H"	84.067652
"1592372"	185.021028	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+K+HCOOH"	84.968628
"1414427"	215.052538	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+H+CF3COOH"	115.000138
"1147471"	112.573301	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+3ACN+2H"	125.094202
"1698241"	232.079085	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+NH4+CF3COOH"	132.026685
"1637903"	237.03448	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+Na+CF3COOH"	136.98208
"1586678"	253.00842	"C14527"	"Methyl methacrylate;MMA;Methyl 2-methylpropenoate"	"C5H8O2"	"100.0524"	"M+K+CF3COOH"	152.95602
"807202"	363.9591	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M"	0
"982926"	344.94071	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-H2O-H"	-19.01839
"65700"	241.632124	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M-3H"	-3.021828
"512918"	362.951824	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M-3H"	-3.021828
"891815"	120.312424	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-3H"	-3.021828
"792"	362.951824	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M-2H"	-2.014552
"440387"	544.931374	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M-2H"	-2.014552
"817544"	180.972274	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-2H"	-2.014552
"81189"	726.910924	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M-H"	-1.007276
"520870"	1090.870024	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M-H"	-1.007276
"896116"	362.951824	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-H"	-1.007276
"56206"	743.937471	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M-2H+NH4"	16.019271
"491392"	1107.896571	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M-2H+NH4"	16.019271
"866035"	379.978371	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-2H+NH4"	16.019271
"37095"	748.892866	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M-2H+Na"	20.974666
"481029"	1112.851966	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M-2H+Na"	20.974666
"858834"	384.933766	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-2H+Na"	20.974666
"1631646"	384.933766	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Na-2H"	20.974666
"104897"	380.940163	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M-H+Cl"	33.962126
"546643"	562.919713	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M-H+Cl"	33.962126
"939064"	198.960613	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-H+Cl"	33.962126
"280538"	762.887602	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+Cl"	34.969402
"674778"	1126.846702	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+Cl"	34.969402
"1276981"	398.928502	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Cl"	34.969402
"21724"	764.866806	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M-2H+K"	36.948606
"457149"	1128.825906	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M-2H+K"	36.948606
"842364"	400.907706	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-2H+K"	36.948606
"1565854"	400.907706	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+K-2H"	36.948606
"949362"	408.957294	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-H+HCOOH"	44.998194
"369765"	772.916401	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+HCOOH-H"	44.998201
"353648"	786.932051	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+Hac-H"	59.013851
"1507585"	422.972951	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Hac-H"	59.013851
"970023"	430.939251	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-H+NaCOOH"	66.980151
"125669"	398.928502	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+2Cl"	69.938804
"565554"	580.908052	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+2Cl"	69.938804
"1032757"	216.948952	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2Cl"	69.938804
"1249055"	442.877985	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Br"	78.918885
"1311504"	444.933972	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Cl+HCOOH"	80.974872
"1331553"	466.915929	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Cl+NaCOOH"	102.956829
"922247"	476.944686	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M-H+CF3COOH"	112.985586
"1301142"	512.921364	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Cl+CF3COOH"	148.962264
"1382234"	328.946424	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H-2H2O"	-35.012676
"1396812"	346.9564	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H-H2O"	-17.0027
"297595"	728.925476	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+H"	1.007276
"689650"	1092.884576	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+H"	1.007276
"1366122"	364.966376	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H"	1.007276
"140710"	364.966376	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+2H"	2.014552
"580636"	546.945926	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+2H"	2.014552
"1050896"	182.986826	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2H"	2.014552
"218426"	243.646676	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+3H"	3.021828
"651788"	364.966376	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+3H"	3.021828
"1171005"	122.326976	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+3H"	3.021828
"437933"	745.952023	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+NH4"	18.033823
"798562"	1109.911123	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+NH4"	18.033823
"1693436"	381.992923	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+NH4"	18.033823
"340985"	373.4796495	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+H+NH4"	19.041099
"736324"	555.4591995	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+H+NH4"	19.041099
"1486134"	191.5000995	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H+NH4"	19.041099
"407610"	750.907418	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+Na"	22.989218
"766537"	1114.866518	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+Na"	22.989218
"1616095"	386.948318	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Na"	22.989218
"329051"	375.957347	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+H+Na"	23.996494
"719895"	557.936897	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+H+Na"	23.996494
"1472379"	193.977797	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H+Na"	23.996494
"1067080"	129.65429	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2H+Na"	25.00377
"1269854"	396.992586	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+CH3OH+H"	33.033486
"386970"	766.881358	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+K"	38.963158
"747966"	1130.840458	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+K"	38.963158
"1548927"	402.922258	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+K"	38.963158
"306102"	383.944317	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+H+K"	39.970434
"699617"	565.923867	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+H+K"	39.970434
"1456718"	201.964767	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H+K"	39.970434
"246412"	769.952026	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+ACN+H"	42.033826
"1223496"	405.992926	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+ACN+H"	42.033826
"1207381"	203.500101	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+ACN+2H"	43.041102
"200254"	772.88936	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+2Na-H"	44.97116
"638722"	1136.84846	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+2Na-H"	44.97116
"1142227"	408.93026	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2Na-H"	44.97116
"184424"	386.948318	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+2Na"	45.978436
"620706"	568.927868	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+2Na"	45.978436
"1128220"	204.968768	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2Na"	45.978436
"1407730"	136.981604	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H+2Na"	46.985712
"1436568"	410.971846	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H+HCOOH"	47.012746
"224076"	391.98134	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+3H2O+2H"	56.04448
"1515420"	425.02389	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+IsoProp+H"	61.06479
"412921"	394.935288	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+Na+K"	61.952376
"776101"	576.914838	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+Na+K"	61.952376
"1675715"	212.955738	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Na+K"	61.952376
"264422"	791.933968	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+ACN+Na"	64.015768
"1240415"	427.974868	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+ACN+Na"	64.015768
"1720551"	427.998393	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+NH4+HCOOH"	64.039293
"1187006"	144.308918	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+3Na"	68.967654
"1657992"	432.953788	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Na+HCOOH"	68.994688
"167038"	804.83724	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+2K-H"	76.91904
"607694"	1168.79634	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+2K-H"	76.91904
"1094393"	440.87814	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2K-H"	76.91904
"149021"	402.922258	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"2M+2K"	77.926316
"587489"	584.901808	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"3M+2K"	77.926316
"1072731"	220.942708	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2K"	77.926316
"1107398"	442.892692	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2K+H"	78.933592
"1340501"	442.980307	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+DMSO+H"	79.021207
"1012311"	447.019476	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2ACN+H"	83.060376
"1531533"	448.013108	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+IsoProp+Na+H"	84.054008
"993605"	224.013376	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+2ACN+2H"	84.067652
"1590295"	448.927728	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+K+HCOOH"	84.968628
"1416321"	478.959238	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+H+CF3COOH"	115.000138
"1149530"	244.526651	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+3ACN+2H"	125.094202
"1701271"	495.985785	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+NH4+CF3COOH"	132.026685
"1635828"	500.94118	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+Na+CF3COOH"	136.98208
"1586788"	516.91512	"C14528"	"Tetrachlorobisphenol A;3355-Tetrachlorobisphenol A;Tetrachlorodian;22-Bis(4-hydroxy-35-dichlorophenyl)propane"	"C15H12Cl4O2"	"363.9591"	"M+K+CF3COOH"	152.95602
"807312"	330.1831	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M"	0
"984131"	311.16471	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-H2O-H"	-19.01839
"71278"	219.114790666667	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M-3H"	-3.021828
"515215"	329.175824	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M-3H"	-3.021828
"894480"	109.053757333333	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-3H"	-3.021828
"11235"	329.175824	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M-2H"	-2.014552
"447879"	494.267374	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M-2H"	-2.014552
"826774"	164.084274	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-2H"	-2.014552
"86765"	659.358924	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M-H"	-1.007276
"527419"	989.542024	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M-H"	-1.007276
"901940"	329.175824	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-H"	-1.007276
"57046"	676.385471	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M-2H+NH4"	16.019271
"496969"	1006.568571	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M-2H+NH4"	16.019271
"869304"	346.202371	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-2H+NH4"	16.019271
"42672"	681.340866	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M-2H+Na"	20.974666
"484419"	1011.523966	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M-2H+Na"	20.974666
"861132"	351.157766	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-2H+Na"	20.974666
"1630664"	351.157766	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Na-2H"	20.974666
"108288"	347.164163	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M-H+Cl"	33.962126
"547848"	512.255713	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M-H+Cl"	33.962126
"942213"	182.072613	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-H+Cl"	33.962126
"279925"	695.335602	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+Cl"	34.969402
"673430"	1025.518702	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+Cl"	34.969402
"1283292"	365.152502	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Cl"	34.969402
"26939"	697.314806	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M-2H+K"	36.948606
"463578"	1027.497906	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M-2H+K"	36.948606
"840287"	367.131706	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-2H+K"	36.948606
"1561591"	367.131706	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+K-2H"	36.948606
"952754"	375.181294	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-H+HCOOH"	44.998194
"367689"	705.364401	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+HCOOH-H"	44.998201
"352665"	719.380051	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+Hac-H"	59.013851
"1506967"	389.196951	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Hac-H"	59.013851
"972319"	397.163251	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-H+NaCOOH"	66.980151
"125117"	365.152502	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+2Cl"	69.938804
"563347"	530.244052	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+2Cl"	69.938804
"1035060"	200.060952	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2Cl"	69.938804
"1255972"	409.101985	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Br"	78.918885
"1318545"	411.157972	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Cl+HCOOH"	80.974872
"1331664"	433.139929	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Cl+NaCOOH"	102.956829
"924546"	443.168686	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M-H+CF3COOH"	112.985586
"1300523"	479.145364	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Cl+CF3COOH"	148.962264
"1382228"	295.170424	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H-2H2O"	-35.012676
"1398303"	313.1804	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H-H2O"	-17.0027
"298399"	661.373476	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+H"	1.007276
"691101"	991.556576	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+H"	1.007276
"1366980"	331.190376	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H"	1.007276
"140461"	331.190376	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+2H"	2.014552
"579288"	496.281926	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+2H"	2.014552
"1052217"	166.098826	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2H"	2.014552
"217808"	221.129342666667	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+3H"	3.021828
"656274"	331.190376	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+3H"	3.021828
"1175855"	111.068309333333	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+3H"	3.021828
"436585"	678.400023	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+NH4"	18.033823
"796487"	1008.583123	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+NH4"	18.033823
"1694275"	348.216923	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+NH4"	18.033823
"341095"	339.7036495	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+H+NH4"	19.041099
"736800"	504.7951995	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+H+NH4"	19.041099
"1492638"	174.6120995	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H+NH4"	19.041099
"408505"	683.355418	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+Na"	22.989218
"769656"	1013.538518	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+Na"	22.989218
"1618427"	353.172318	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Na"	22.989218
"329531"	342.181347	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+H+Na"	23.996494
"722314"	507.272897	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+H+Na"	23.996494
"1475768"	177.089797	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H+Na"	23.996494
"1066823"	118.395623333333	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2H+Na"	25.00377
"1272599"	363.216586	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+CH3OH+H"	33.033486
"388175"	699.329358	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+K"	38.963158
"751359"	1029.512458	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+K"	38.963158
"1553412"	369.146258	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+K"	38.963158
"313142"	350.168317	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+H+K"	39.970434
"706980"	515.259867	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+H+K"	39.970434
"1456830"	185.076767	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H+K"	39.970434
"248710"	702.400026	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+ACN+H"	42.033826
"1223605"	372.216926	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+ACN+H"	42.033826
"1207859"	186.612101	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+ACN+2H"	43.041102
"201456"	705.33736	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+2Na-H"	44.97116
"641020"	1035.52046	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+2Na-H"	44.97116
"1143431"	375.15426	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2Na-H"	44.97116
"185993"	353.172318	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+2Na"	45.978436
"624096"	518.263868	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+2Na"	45.978436
"1124322"	188.080768	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2Na"	45.978436
"1408936"	125.722937333333	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H+2Na"	46.985712
"1441052"	377.195846	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H+HCOOH"	47.012746
"228560"	358.20534	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+3H2O+2H"	56.04448
"1517717"	391.24789	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+IsoProp+H"	61.06479
"420686"	361.159288	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+Na+K"	61.952376
"782774"	526.250838	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+Na+K"	61.952376
"1679105"	196.067738	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Na+K"	61.952376
"265631"	724.381968	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+ACN+Na"	64.015768
"1239432"	394.198868	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+ACN+Na"	64.015768
"1723942"	394.222393	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+NH4+HCOOH"	64.039293
"1187116"	133.050251333333	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+3Na"	68.967654
"1660289"	399.177788	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Na+HCOOH"	68.994688
"167148"	737.28524	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+2K-H"	76.91904
"608896"	1067.46834	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+2K-H"	76.91904
"1096689"	407.10214	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2K-H"	76.91904
"154598"	369.146258	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"2M+2K"	77.926316
"588692"	534.237808	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"3M+2K"	77.926316
"1074296"	204.054708	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2K"	77.926316
"1107506"	409.116692	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2K+H"	78.933592
"1338788"	409.204307	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+DMSO+H"	79.021207
"1013514"	413.243476	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2ACN+H"	83.060376
"1528361"	414.237108	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+IsoProp+Na+H"	84.054008
"993715"	207.125376	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+2ACN+2H"	84.067652
"1591499"	415.151728	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+K+HCOOH"	84.968628
"1415338"	445.183238	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+H+CF3COOH"	115.000138
"1148911"	227.638651	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+3ACN+2H"	125.094202
"1699192"	462.209785	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+NH4+CF3COOH"	132.026685
"1635938"	467.16518	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+Na+CF3COOH"	136.98208
"1586898"	483.13912	"C14529"	"Dicyclohexyl phthalate"	"C20H26O4"	"330.1831"	"M+K+CF3COOH"	152.95602
"807422"	130.063	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M"	0
"980960"	111.04461	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-H2O-H"	-19.01839
"71388"	85.7013906666667	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M-3H"	-3.021828
"513138"	129.055724	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M-3H"	-3.021828
"895280"	42.3470573333333	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-3H"	-3.021828
"11712"	129.055724	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M-2H"	-2.014552
"450177"	194.087224	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M-2H"	-2.014552
"829071"	64.024224	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-2H"	-2.014552
"91617"	259.118724	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M-H"	-1.007276
"527531"	389.181724	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M-H"	-1.007276
"908247"	129.055724	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-H"	-1.007276
"58614"	276.145271	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M-2H+NH4"	16.019271
"500726"	406.208271	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M-2H+NH4"	16.019271
"875979"	146.082271	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-2H+NH4"	16.019271
"43878"	281.100666	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M-2H+Na"	20.974666
"483079"	411.163666	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M-2H+Na"	20.974666
"862337"	151.037666	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-2H+Na"	20.974666
"1631869"	151.037666	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Na-2H"	20.974666
"107673"	147.044063	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M-H+Cl"	33.962126
"547961"	212.075563	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M-H+Cl"	33.962126
"940748"	82.012563	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-H+Cl"	33.962126
"280638"	295.095402	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+Cl"	34.969402
"671355"	425.158402	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+Cl"	34.969402
"1288266"	165.032402	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Cl"	34.969402
"27416"	297.074606	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M-2H+K"	36.948606
"464784"	427.137606	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M-2H+K"	36.948606
"843679"	167.011606	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-2H+K"	36.948606
"1561701"	167.011606	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+K-2H"	36.948606
"955780"	175.061194	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-H+HCOOH"	44.998194
"375458"	305.124201	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+HCOOH-H"	44.998201
"358244"	319.139851	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+Hac-H"	59.013851
"1505984"	189.076851	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Hac-H"	59.013851
"973162"	197.043151	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-H+NaCOOH"	66.980151
"125271"	165.032402	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+2Cl"	69.938804
"565362"	230.063902	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+2Cl"	69.938804
"1036958"	100.000902	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2Cl"	69.938804
"1256203"	208.981885	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Br"	78.918885
"1318655"	211.037872	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Cl+HCOOH"	80.974872
"1332503"	233.019829	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Cl+NaCOOH"	102.956829
"924656"	243.048586	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M-H+CF3COOH"	112.985586
"1302823"	279.025264	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Cl+CF3COOH"	148.962264
"1381852"	95.050324	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H-2H2O"	-35.012676
"1398430"	113.0603	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H-H2O"	-17.0027
"298183"	261.133276	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+H"	1.007276
"691213"	391.196276	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+H"	1.007276
"1366098"	131.070276	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H"	1.007276
"138379"	131.070276	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+2H"	2.014552
"579763"	196.101776	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+2H"	2.014552
"1050019"	66.038776	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2H"	2.014552
"218649"	87.7159426666667	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+3H"	3.021828
"656019"	131.070276	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+3H"	3.021828
"1173050"	44.3616093333333	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+3H"	3.021828
"438881"	278.159823	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+NH4"	18.033823
"799511"	408.222823	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+NH4"	18.033823
"1694021"	148.096823	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+NH4"	18.033823
"344123"	139.5835495	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+H+NH4"	19.041099
"737274"	204.6150495	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+H+NH4"	19.041099
"1492640"	74.5520495	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H+NH4"	19.041099
"408406"	283.115218	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+Na"	22.989218
"769882"	413.178218	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+Na"	22.989218
"1618300"	153.052218	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Na"	22.989218
"329521"	142.061247	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+H+Na"	23.996494
"722429"	207.092747	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+H+Na"	23.996494
"1476491"	77.029747	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H+Na"	23.996494
"1063653"	51.6889233333333	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2H+Na"	25.00377
"1271772"	163.096486	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+CH3OH+H"	33.033486
"391566"	299.089158	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+K"	38.963158
"752562"	429.152158	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+K"	38.963158
"1553522"	169.026158	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+K"	38.963158
"313861"	150.048217	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+H+K"	39.970434
"706646"	215.079717	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+H+K"	39.970434
"1461032"	85.016717	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H+K"	39.970434
"249916"	302.159826	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+ACN+H"	42.033826
"1225059"	172.096826	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+ACN+H"	42.033826
"1208455"	86.552051	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+ACN+2H"	43.041102
"201205"	305.09716	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+2Na-H"	44.97116
"640402"	435.16016	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+2Na-H"	44.97116
"1141355"	175.03416	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2Na-H"	44.97116
"187200"	153.052218	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+2Na"	45.978436
"626030"	218.083718	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+2Na"	45.978436
"1126621"	88.020718	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2Na"	45.978436
"1411232"	59.0162373333333	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H+2Na"	46.985712
"1443349"	177.075746	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H+HCOOH"	47.012746
"224300"	158.08524	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+3H2O+2H"	56.04448
"1516735"	191.12779	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+IsoProp+H"	61.06479
"421890"	161.039188	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+Na+K"	61.952376
"783619"	226.070688	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+Na+K"	61.952376
"1680315"	96.007688	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Na+K"	61.952376
"264646"	324.141768	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+ACN+Na"	64.015768
"1240962"	194.078768	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+ACN+Na"	64.015768
"1726606"	194.102293	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+NH4+HCOOH"	64.039293
"1192574"	66.3435513333333	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+3Na"	68.967654
"1665304"	199.057688	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Na+HCOOH"	68.994688
"168355"	337.04504	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+2K-H"	76.91904
"610103"	467.10804	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+2K-H"	76.91904
"1096801"	206.98204	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2K-H"	76.91904
"153617"	169.026158	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"2M+2K"	77.926316
"594272"	234.057658	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"3M+2K"	77.926316
"1078785"	103.994658	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2K"	77.926316
"1107620"	208.996592	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2K+H"	78.933592
"1341815"	209.084207	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+DMSO+H"	79.021207
"1011441"	213.123376	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2ACN+H"	83.060376
"1529564"	214.117008	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+IsoProp+Na+H"	84.054008
"993826"	107.065326	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+2ACN+2H"	84.067652
"1589421"	215.031628	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+K+HCOOH"	84.968628
"1418369"	245.063138	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+H+CF3COOH"	115.000138
"1154127"	127.578601	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+3ACN+2H"	125.094202
"1701491"	262.089685	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+NH4+CF3COOH"	132.026685
"1637141"	267.04508	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+Na+CF3COOH"	136.98208
"1587008"	283.01902	"C14530"	"2-Hydroxyethyl methacrylate;HEMA"	"C6H10O3"	"130.063"	"M+K+CF3COOH"	152.95602
"807532"	113.0225	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M"	0
"982160"	94.00411	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-H2O-H"	-19.01839
"70405"	74.3410573333333	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M-3H"	-3.021828
"511060"	112.015224	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M-3H"	-3.021828
"883394"	36.6668906666667	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-3H"	-3.021828
"12906"	112.015224	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M-2H"	-2.014552
"445175"	168.526474	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M-2H"	-2.014552
"826989"	55.503974	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-2H"	-2.014552
"92450"	225.037724	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M-H"	-1.007276
"527643"	338.060224	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M-H"	-1.007276
"904351"	112.015224	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-H"	-1.007276
"58725"	242.064271	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M-2H+NH4"	16.019271
"500107"	355.086771	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M-2H+NH4"	16.019271
"876088"	129.041771	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-2H+NH4"	16.019271
"42894"	247.019666	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M-2H+Na"	20.974666
"485008"	360.042166	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M-2H+Na"	20.974666
"862080"	133.997166	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-2H+Na"	20.974666
"1633070"	133.997166	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Na-2H"	20.974666
"108508"	130.003563	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M-H+Cl"	33.962126
"547703"	186.514813	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M-H+Cl"	33.962126
"941579"	73.492313	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-H+Cl"	33.962126
"279044"	261.014402	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+Cl"	34.969402
"671463"	374.036902	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+Cl"	34.969402
"1282779"	147.991902	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Cl"	34.969402
"20959"	262.993606	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M-2H+K"	36.948606
"460519"	376.016106	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M-2H+K"	36.948606
"837227"	149.971106	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-2H+K"	36.948606
"1562902"	149.971106	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+K-2H"	36.948606
"950787"	158.020694	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-H+HCOOH"	44.998194
"366815"	271.043201	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+HCOOH-H"	44.998201
"357260"	285.058851	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+Hac-H"	59.013851
"1505000"	172.036351	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Hac-H"	59.013851
"970356"	180.002651	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-H+NaCOOH"	66.980151
"124731"	147.991902	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+2Cl"	69.938804
"564655"	204.503152	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+2Cl"	69.938804
"1036370"	91.480652	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2Cl"	69.938804
"1251573"	191.941385	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Br"	78.918885
"1316939"	193.997372	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Cl+HCOOH"	80.974872
"1330425"	215.979329	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Cl+NaCOOH"	102.956829
"918566"	226.008086	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M-H+CF3COOH"	112.985586
"1301838"	261.984764	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Cl+CF3COOH"	148.962264
"1382653"	78.009824	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H-2H2O"	-35.012676
"1397140"	96.0198	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H-H2O"	-17.0027
"297678"	227.052276	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+H"	1.007276
"691343"	340.074776	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+H"	1.007276
"1365598"	114.029776	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H"	1.007276
"138851"	114.029776	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+2H"	2.014552
"580479"	170.541026	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+2H"	2.014552
"1051953"	57.518526	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2H"	2.014552
"218393"	76.3556093333333	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+3H"	3.021828
"655765"	114.029776	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+3H"	3.021828
"1171337"	38.6814426666667	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+3H"	3.021828
"437895"	244.078823	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+NH4"	18.033823
"796705"	357.101323	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+NH4"	18.033823
"1692673"	131.056323	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+NH4"	18.033823
"334755"	122.5430495	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+H+NH4"	19.041099
"731550"	179.0542995	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+H+NH4"	19.041099
"1490473"	66.0317995	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H+NH4"	19.041099
"407697"	249.034218	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+Na"	22.989218
"768326"	362.056718	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+Na"	22.989218
"1618215"	136.011718	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Na"	22.989218
"329504"	125.020747	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+H+Na"	23.996494
"722495"	181.531997	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+H+Na"	23.996494
"1476886"	68.509497	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H+Na"	23.996494
"1063763"	46.0087566666667	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2H+Na"	25.00377
"1271882"	146.055986	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+CH3OH+H"	33.033486
"385110"	265.008158	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+K"	38.963158
"746106"	378.030658	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+K"	38.963158
"1550347"	151.985658	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+K"	38.963158
"313365"	133.007717	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+H+K"	39.970434
"703230"	189.518967	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+H+K"	39.970434
"1458142"	76.496467	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H+K"	39.970434
"247839"	268.078826	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+ACN+H"	42.033826
"1223832"	155.056326	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+ACN+H"	42.033826
"1204436"	78.031801	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+ACN+2H"	43.041102
"197306"	271.01616	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+2Na-H"	44.97116
"637959"	384.03866	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+2Na-H"	44.97116
"1142561"	157.99366	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2Na-H"	44.97116
"186943"	136.011718	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+2Na"	45.978436
"627596"	192.522968	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+2Na"	45.978436
"1128551"	79.500468	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2Na"	45.978436
"1402593"	53.3360706666667	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H+2Na"	46.985712
"1434710"	160.035246	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H+HCOOH"	47.012746
"225503"	141.04474	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+3H2O+2H"	56.04448
"1515751"	174.08729	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+IsoProp+H"	61.06479
"417625"	143.998688	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+Na+K"	61.952376
"784819"	200.509938	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+Na+K"	61.952376
"1679328"	87.487438	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Na+K"	61.952376
"263661"	290.060768	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+ACN+Na"	64.015768
"1241276"	177.038268	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+ACN+Na"	64.015768
"1723069"	177.061793	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+NH4+HCOOH"	64.039293
"1192805"	60.6633846666667	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+3Na"	68.967654
"1665006"	182.017188	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Na+HCOOH"	68.994688
"169558"	302.96404	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+2K-H"	76.91904
"610940"	415.98654	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+2K-H"	76.91904
"1093631"	189.94154	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2K-H"	76.91904
"153727"	151.985658	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"2M+2K"	77.926316
"592195"	208.496908	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"3M+2K"	77.926316
"1076707"	95.474408	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2K"	77.926316
"1104448"	191.956092	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2K+H"	78.933592
"1338646"	192.043707	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+DMSO+H"	79.021207
"1011551"	196.082876	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2ACN+H"	83.060376
"1528581"	197.076508	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+IsoProp+Na+H"	84.054008
"993935"	98.545076	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+2ACN+2H"	84.067652
"1590624"	197.991128	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+K+HCOOH"	84.968628
"1418478"	228.022638	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+H+CF3COOH"	115.000138
"1155330"	119.058351	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+3ACN+2H"	125.094202
"1702694"	245.049185	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+NH4+CF3COOH"	132.026685
"1637251"	250.00458	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+Na+CF3COOH"	136.98208
"1578370"	265.97852	"C14531"	"Azomycin;2-Nitroimidazole"	"C3H3N3O2"	"113.0225"	"M+K+CF3COOH"	152.95602
"807642"	267.9461	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M"	0
"974615"	248.92771	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-H2O-H"	-19.01839
"67231"	177.623457333333	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M-3H"	-3.021828
"510077"	266.938824	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M-3H"	-3.021828
"883504"	88.3080906666667	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-3H"	-3.021828
"10830"	266.938824	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M-2H"	-2.014552
"444921"	400.911874	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M-2H"	-2.014552
"828192"	132.965774	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-2H"	-2.014552
"92196"	534.884924	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M-H"	-1.007276
"527753"	802.831024	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M-H"	-1.007276
"905555"	266.938824	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-H"	-1.007276
"57743"	551.911471	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M-2H+NH4"	16.019271
"500582"	819.857571	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M-2H+NH4"	16.019271
"876929"	283.965371	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-2H+NH4"	16.019271
"43369"	556.866866	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M-2H+Na"	20.974666
"484389"	824.812966	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M-2H+Na"	20.974666
"862192"	288.920766	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-2H+Na"	20.974666
"1632816"	288.920766	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Na-2H"	20.974666
"107889"	284.927163	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M-H+Cl"	33.962126
"547449"	418.900213	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M-H+Cl"	33.962126
"940234"	150.954113	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-H+Cl"	33.962126
"279883"	570.861602	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+Cl"	34.969402
"671573"	838.807702	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+Cl"	34.969402
"1277420"	302.915502	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Cl"	34.969402
"21069"	572.840806	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M-2H+K"	36.948606
"459535"	840.786906	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M-2H+K"	36.948606
"838430"	304.894706	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-2H+K"	36.948606
"1564105"	304.894706	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+K-2H"	36.948606
"951989"	312.944294	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-H+HCOOH"	44.998194
"369110"	580.890401	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+HCOOH-H"	44.998201
"355183"	594.906051	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+Hac-H"	59.013851
"1504016"	326.959951	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Hac-H"	59.013851
"970466"	334.926251	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-H+NaCOOH"	66.980151
"123386"	302.915502	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+2Cl"	69.938804
"564403"	436.888552	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+2Cl"	69.938804
"1036485"	168.942452	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2Cl"	69.938804
"1255695"	346.864985	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Br"	78.918885
"1317049"	348.920972	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Cl+HCOOH"	80.974872
"1330171"	370.902929	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Cl+NaCOOH"	102.956829
"918312"	380.931686	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M-H+CF3COOH"	112.985586
"1300125"	416.908364	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Cl+CF3COOH"	148.962264
"1382309"	232.933424	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H-2H2O"	-35.012676
"1396887"	250.9434	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H-H2O"	-17.0027
"296936"	536.899476	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+H"	1.007276
"691347"	804.845576	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+H"	1.007276
"1363521"	268.953376	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H"	1.007276
"140789"	268.953376	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+2H"	2.014552
"579615"	402.926426	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+2H"	2.014552
"1052064"	134.980326	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2H"	2.014552
"218503"	179.638009333333	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+3H"	3.021828
"656604"	268.953376	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+3H"	3.021828
"1171447"	90.3226426666667	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+3H"	3.021828
"436181"	553.926023	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+NH4"	18.033823
"797907"	821.872123	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+NH4"	18.033823
"1688770"	285.979923	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+NH4"	18.033823
"334864"	277.4666495	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+H+NH4"	19.041099
"728379"	411.4396995	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+H+NH4"	19.041099
"1491799"	143.4935995	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H+NH4"	19.041099
"407442"	558.881418	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+Na"	22.989218
"764061"	826.827518	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+Na"	22.989218
"1617878"	290.935318	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Na"	22.989218
"328520"	279.944347	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+H+Na"	23.996494
"721916"	413.917397	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+H+Na"	23.996494
"1475981"	145.971297	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H+Na"	23.996494
"1064966"	97.6499566666667	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2H+Na"	25.00377
"1272115"	300.979586	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+CH3OH+H"	33.033486
"387407"	574.855358	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+K"	38.963158
"746216"	842.801458	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+K"	38.963158
"1548271"	306.909258	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+K"	38.963158
"312382"	287.931317	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+H+K"	39.970434
"703340"	421.904367	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+H+K"	39.970434
"1458252"	153.958267	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H+K"	39.970434
"249042"	577.926026	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+ACN+H"	42.033826
"1220662"	309.979926	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+ACN+H"	42.033826
"1204545"	155.493601	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+ACN+2H"	43.041102
"197415"	580.86336	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+2Na-H"	44.97116
"634789"	848.80946	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+2Na-H"	44.97116
"1139388"	312.91726	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2Na-H"	44.97116
"181584"	290.935318	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+2Na"	45.978436
"622238"	424.908368	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+2Na"	45.978436
"1121371"	156.962268	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2Na"	45.978436
"1402703"	104.977270666667	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H+2Na"	46.985712
"1431174"	314.958846	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H+HCOOH"	47.012746
"223061"	295.96834	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+3H2O+2H"	56.04448
"1512580"	329.01089	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+IsoProp+H"	61.06479
"417735"	298.922288	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+Na+K"	61.952376
"783835"	432.895338	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+Na+K"	61.952376
"1678710"	164.949238	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Na+K"	61.952376
"262678"	599.907968	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+ACN+Na"	64.015768
"1239034"	331.961868	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+ACN+Na"	64.015768
"1723179"	331.985393	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+NH4+HCOOH"	64.039293
"1187446"	112.304584666667	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+3Na"	68.967654
"1663899"	336.940788	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Na+HCOOH"	68.994688
"169667"	612.81124	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+2K-H"	76.91904
"610321"	880.75734	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+2K-H"	76.91904
"1095927"	344.86514	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2K-H"	76.91904
"151649"	306.909258	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"2M+2K"	77.926316
"586836"	440.882308	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"3M+2K"	77.926316
"1075723"	172.936208	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2K"	77.926316
"1102371"	346.879692	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2K+H"	78.933592
"1338754"	346.967307	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+DMSO+H"	79.021207
"1008381"	351.006476	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2ACN+H"	83.060376
"1529785"	352.000108	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+IsoProp+Na+H"	84.054008
"993316"	176.006876	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+2ACN+2H"	84.067652
"1589641"	352.914728	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+K+HCOOH"	84.968628
"1417495"	382.946238	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+H+CF3COOH"	115.000138
"1155440"	196.520151	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+3ACN+2H"	125.094202
"1702804"	399.972785	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+NH4+CF3COOH"	132.026685
"1637361"	404.92818	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+Na+CF3COOH"	136.98208
"1578480"	420.90212	"C14532"	"Fenoprop;2-(245-Trichlorophenoxy)propionic acid;245-TP;Silvex"	"C9H7Cl3O3"	"267.9461"	"M+K+CF3COOH"	152.95602
"807752"	120.0939	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M"	0
"974846"	101.07551	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-H2O-H"	-19.01839
"67341"	79.055324	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M-3H"	-3.021828
"510187"	119.086624	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M-3H"	-3.021828
"884707"	39.024024	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-3H"	-3.021828
"10940"	119.086624	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M-2H"	-2.014552
"443938"	179.133574	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M-2H"	-2.014552
"828302"	59.039674	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-2H"	-2.014552
"90119"	239.180524	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M-H"	-1.007276
"528593"	359.274424	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M-H"	-1.007276
"907488"	119.086624	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-H"	-1.007276
"56756"	256.207071	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M-2H+NH4"	16.019271
"498869"	376.300971	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M-2H+NH4"	16.019271
"876313"	136.113171	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-2H+NH4"	16.019271
"43848"	261.162466	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M-2H+Na"	20.974666
"482314"	381.256366	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M-2H+Na"	20.974666
"860117"	141.068566	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-2H+Na"	20.974666
"1631834"	141.068566	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Na-2H"	20.974666
"107633"	137.074963	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M-H+Cl"	33.962126
"546101"	197.121913	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M-H+Cl"	33.962126
"939616"	77.028013	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-H+Cl"	33.962126
"275983"	275.157202	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+Cl"	34.969402
"668402"	395.251102	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+Cl"	34.969402
"1282998"	155.063302	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Cl"	34.969402
"25554"	277.136406	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M-2H+K"	36.948606
"461833"	397.230306	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M-2H+K"	36.948606
"842915"	157.042506	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-2H+K"	36.948606
"1566403"	157.042506	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+K-2H"	36.948606
"952099"	165.092094	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-H+HCOOH"	44.998194
"374326"	285.186001	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+HCOOH-H"	44.998201
"355294"	299.201651	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+Hac-H"	59.013851
"1504860"	179.107751	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Hac-H"	59.013851
"973498"	187.074051	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-H+NaCOOH"	66.980151
"121309"	155.063302	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+2Cl"	69.938804
"565411"	215.110252	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+2Cl"	69.938804
"1035865"	95.016352	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2Cl"	69.938804
"1253620"	199.012785	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Br"	78.918885
"1315335"	201.068772	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Cl+HCOOH"	80.974872
"1331741"	223.050729	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Cl+NaCOOH"	102.956829
"920610"	233.079486	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M-H+CF3COOH"	112.985586
"1300599"	269.056164	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Cl+CF3COOH"	148.962264
"1382462"	85.081224	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H-2H2O"	-35.012676
"1398099"	103.0912	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H-H2O"	-17.0027
"298308"	241.195076	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+H"	1.007276
"690206"	361.288976	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+H"	1.007276
"1366426"	121.101176	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H"	1.007276
"140655"	121.101176	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+2H"	2.014552
"579369"	181.148126	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+2H"	2.014552
"1049259"	61.054226	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2H"	2.014552
"218979"	81.069876	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+3H"	3.021828
"656714"	121.101176	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+3H"	3.021828
"1174840"	41.038576	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+3H"	3.021828
"437749"	258.221623	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+NH4"	18.033823
"798746"	378.315523	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+NH4"	18.033823
"1694714"	138.127723	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+NH4"	18.033823
"338254"	129.6144495	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+H+NH4"	19.041099
"731769"	189.6613995	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+H+NH4"	19.041099
"1491056"	69.5674995	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H+NH4"	19.041099
"404999"	263.177018	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+Na"	22.989218
"764171"	383.270918	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+Na"	22.989218
"1617744"	143.083118	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Na"	22.989218
"327418"	132.092147	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+H+Na"	23.996494
"722391"	192.139097	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+H+Na"	23.996494
"1475482"	72.045197	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H+Na"	23.996494
"1067756"	48.36589	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2H+Na"	25.00377
"1270036"	153.127386	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+CH3OH+H"	33.033486
"388612"	279.150958	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+K"	38.963158
"745233"	399.244858	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+K"	38.963158
"1550568"	159.057058	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+K"	38.963158
"311763"	140.079117	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+H+K"	39.970434
"704547"	200.126067	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+H+K"	39.970434
"1458363"	80.032167	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H+K"	39.970434
"247697"	282.221626	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+ACN+H"	42.033826
"1221502"	162.127726	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+ACN+H"	42.033826
"1202469"	81.567501	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+ACN+2H"	43.041102
"199712"	285.15896	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+2Na-H"	44.97116
"637816"	405.25286	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+2Na-H"	44.97116
"1141685"	165.06506	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2Na-H"	44.97116
"183518"	143.083118	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+2Na"	45.978436
"622348"	203.130068	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+2Na"	45.978436
"1123668"	83.036168	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2Na"	45.978436
"1400018"	55.693204	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H+2Na"	46.985712
"1433837"	167.106646	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H+HCOOH"	47.012746
"227910"	148.11614	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+3H2O+2H"	56.04448
"1513783"	181.15869	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+IsoProp+H"	61.06479
"416751"	151.070088	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+Na+K"	61.952376
"781760"	211.117038	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+Na+K"	61.952376
"1679184"	91.023138	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Na+K"	61.952376
"262789"	304.203568	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+ACN+Na"	64.015768
"1238779"	184.109668	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+ACN+Na"	64.015768
"1723287"	184.133193	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+NH4+HCOOH"	64.039293
"1188650"	63.020518	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+3Na"	68.967654
"1664012"	189.088588	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Na+HCOOH"	68.994688
"169778"	317.10684	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+2K-H"	76.91904
"611403"	437.20074	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+2K-H"	76.91904
"1096037"	197.01294	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2K-H"	76.91904
"150666"	159.057058	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"2M+2K"	77.926316
"586946"	219.104008	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"3M+2K"	77.926316
"1070367"	99.010108	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2K"	77.926316
"1101509"	199.027492	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2K+H"	78.933592
"1339961"	199.115107	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+DMSO+H"	79.021207
"1007761"	203.154276	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2ACN+H"	83.060376
"1527710"	204.147908	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+IsoProp+Na+H"	84.054008
"991970"	102.080776	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+2ACN+2H"	84.067652
"1590115"	205.062528	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+K+HCOOH"	84.968628
"1417605"	235.094038	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+H+CF3COOH"	115.000138
"1154457"	122.594051	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+3ACN+2H"	125.094202
"1701821"	252.120585	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+NH4+CF3COOH"	132.026685
"1637471"	257.07598	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+Na+CF3COOH"	136.98208
"1577497"	273.04992	"C14533"	"124-Trimethylbenzene;Pseudocumene"	"C9H12"	"120.0939"	"M+K+CF3COOH"	152.95602
"814423"	134.1096	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M"	0
"981395"	115.09121	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-H2O-H"	-19.01839
"69637"	88.399124	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M-3H"	-3.021828
"504097"	133.102324	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M-3H"	-3.021828
"885908"	43.695924	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-3H"	-3.021828
"13235"	133.102324	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M-2H"	-2.014552
"446234"	200.157124	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M-2H"	-2.014552
"827319"	66.047524	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-2H"	-2.014552
"90593"	267.211924	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M-H"	-1.007276
"527968"	401.321524	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M-H"	-1.007276
"907964"	133.102324	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-H"	-1.007276
"58689"	284.238471	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M-2H+NH4"	16.019271
"499951"	418.348071	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M-2H+NH4"	16.019271
"874232"	150.128871	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-2H+NH4"	16.019271
"41768"	289.193866	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M-2H+Na"	20.974666
"483883"	423.303466	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M-2H+Na"	20.974666
"859862"	155.084266	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-2H+Na"	20.974666
"1631216"	155.084266	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Na-2H"	20.974666
"108469"	151.090663	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M-H+Cl"	33.962126
"547181"	218.145463	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M-H+Cl"	33.962126
"940454"	84.035863	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-H+Cl"	33.962126
"278645"	303.188602	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+Cl"	34.969402
"673251"	437.298202	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+Cl"	34.969402
"1283837"	169.079002	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Cl"	34.969402
"27852"	305.167806	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M-2H+K"	36.948606
"465224"	439.277406	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M-2H+K"	36.948606
"844119"	171.058206	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-2H+K"	36.948606
"1566513"	171.058206	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+K-2H"	36.948606
"954397"	179.107794	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-H+HCOOH"	44.998194
"369332"	313.217401	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+HCOOH-H"	44.998201
"355403"	327.233051	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+Hac-H"	59.013851
"1505696"	193.123451	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Hac-H"	59.013851
"970324"	201.089751	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-H+NaCOOH"	66.980151
"122515"	169.079002	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+2Cl"	69.938804
"565481"	236.133802	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+2Cl"	69.938804
"1036463"	102.024202	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2Cl"	69.938804
"1256283"	213.028485	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Br"	78.918885
"1315081"	215.084472	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Cl+HCOOH"	80.974872
"1329662"	237.066429	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Cl+NaCOOH"	102.956829
"918531"	247.095186	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M-H+CF3COOH"	112.985586
"1299252"	283.071864	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Cl+CF3COOH"	148.962264
"1382165"	99.096924	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H-2H2O"	-35.012676
"1398361"	117.1069	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H-H2O"	-17.0027
"298263"	269.226476	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+H"	1.007276
"691333"	403.336076	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+H"	1.007276
"1366781"	135.116876	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H"	1.007276
"141091"	135.116876	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+2H"	2.014552
"579476"	202.171676	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+2H"	2.014552
"1052285"	68.062076	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2H"	2.014552
"219576"	90.413676	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+3H"	3.021828
"656460"	135.116876	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+3H"	3.021828
"1169480"	45.710476	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+3H"	3.021828
"439809"	286.253023	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+NH4"	18.033823
"800924"	420.362623	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+NH4"	18.033823
"1695190"	152.143423	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+NH4"	18.033823
"341646"	143.6301495	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+H+NH4"	19.041099
"738120"	210.6849495	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+H+NH4"	19.041099
"1492509"	76.5753495	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H+NH4"	19.041099
"408343"	291.208418	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+Na"	22.989218
"765374"	425.318018	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+Na"	22.989218
"1616763"	157.098818	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Na"	22.989218
"327529"	146.107847	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+H+Na"	23.996494
"722261"	213.162647	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+H+Na"	23.996494
"1476688"	79.053047	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H+Na"	23.996494
"1068111"	53.03779	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2H+Na"	25.00377
"1272683"	167.143086	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+CH3OH+H"	33.033486
"388722"	307.182358	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+K"	38.963158
"747530"	441.291958	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+K"	38.963158
"1552865"	173.072758	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+K"	38.963158
"312726"	154.094817	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+H+K"	39.970434
"705753"	221.149617	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+H+K"	39.970434
"1459570"	87.040017	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H+K"	39.970434
"247079"	310.253026	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+ACN+H"	42.033826
"1223555"	176.143426	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+ACN+H"	42.033826
"1202578"	88.575351	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+ACN+2H"	43.041102
"198729"	313.19036	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+2Na-H"	44.97116
"638288"	447.29996	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+2Na-H"	44.97116
"1142524"	179.08076	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2Na-H"	44.97116
"186179"	157.098818	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+2Na"	45.978436
"621364"	224.153618	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+2Na"	45.978436
"1127788"	90.044018	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2Na"	45.978436
"1408393"	60.365104	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H+2Na"	46.985712
"1437229"	181.122346	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H+HCOOH"	47.012746
"228020"	162.13184	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+3H2O+2H"	56.04448
"1514987"	195.17439	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+IsoProp+H"	61.06479
"415768"	165.085788	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+Na+K"	61.952376
"782963"	232.140588	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+Na+K"	61.952376
"1677472"	98.030988	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Na+K"	61.952376
"262899"	332.234968	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+ACN+Na"	64.015768
"1240347"	198.125368	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+ACN+Na"	64.015768
"1727656"	198.148893	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+NH4+HCOOH"	64.039293
"1192040"	67.692418	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+3Na"	68.967654
"1664850"	203.104288	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Na+HCOOH"	68.994688
"169888"	345.13824	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+2K-H"	76.91904
"611515"	479.24784	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+2K-H"	76.91904
"1097240"	211.02864	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2K-H"	76.91904
"151870"	173.072758	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"2M+2K"	77.926316
"595320"	240.127558	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"3M+2K"	77.926316
"1079224"	106.017958	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2K"	77.926316
"1108059"	213.043192	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2K+H"	78.933592
"1338978"	213.130807	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+DMSO+H"	79.021207
"1007020"	217.169976	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2ACN+H"	83.060376
"1527088"	218.163608	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+IsoProp+Na+H"	84.054008
"991713"	109.088626	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+2ACN+2H"	84.067652
"1594233"	219.078228	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+K+HCOOH"	84.968628
"1417715"	249.109738	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+H+CF3COOH"	115.000138
"1154567"	129.601901	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+3ACN+2H"	125.094202
"1701931"	266.136285	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+NH4+CF3COOH"	132.026685
"1638674"	271.09168	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+Na+CF3COOH"	136.98208
"1574325"	287.06562	"C14534"	"1245-Tetramethylbenzene;Durene"	"C10H14"	"134.1096"	"M+K+CF3COOH"	152.95602
"812347"	178.0994	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M"	0
"974943"	159.08101	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"67559"	117.725657333333	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"506029"	177.092124	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"883831"	58.3591906666667	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"381"	177.092124	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"442335"	266.141824	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"827429"	88.042424	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"89610"	355.191524	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"528078"	533.290924	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"905885"	177.092124	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"58070"	372.218071	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"498724"	550.317471	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"876529"	194.118671	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"42972"	377.173466	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"483992"	555.272866	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"863614"	199.074066	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1632783"	199.074066	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"107852"	195.080463	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"546683"	284.130163	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"940197"	106.030763	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"279848"	391.168202	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"672269"	569.267602	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1284311"	213.068802	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"28690"	393.147406	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"462053"	571.246806	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"844229"	215.048006	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1566622"	215.048006	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"955600"	223.097594	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"369442"	401.197001	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"355513"	415.212651	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1505442"	237.113251	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"968611"	245.079551	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"121893"	213.068802	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"565436"	302.118502	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1033531"	124.019102	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1254569"	257.018285	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1315555"	259.074272	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1331230"	281.056229	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"915361"	291.084986	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1296445"	327.061664	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1375708"	143.086724	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1397457"	161.0967	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"295443"	357.206076	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"691272"	535.305476	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1366823"	179.106676	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"141411"	179.106676	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"579582"	268.156376	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1050933"	90.056976	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"218833"	119.740209333333	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"655839"	179.106676	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1171777"	60.3737426666667	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"435056"	374.232623	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"792773"	552.332023	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1695662"	196.133223	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"340662"	187.6199495	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"735269"	276.6696495	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1489820"	98.5702495	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"406675"	379.188018	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"765484"	557.287418	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1615770"	201.088618	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"327632"	190.097647	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"722120"	279.147347	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1476386"	101.047947	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1068215"	67.7010566666667	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1266976"	211.132886	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"387739"	395.161958	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"746547"	573.261358	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1543133"	217.062558	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"311618"	198.084617	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"704768"	287.134317	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1456400"	109.034917	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"247190"	398.232626	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1218805"	220.133226	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1202687"	110.570251	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"195924"	401.16996	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"636577"	579.26936	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1142635"	223.07056	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"183008"	201.088618	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"623661"	290.138318	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1127168"	112.038918	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1405223"	75.0283706666667	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1439527"	225.112146	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"228130"	206.12164	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1515097"	239.16419	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"418065"	209.075588	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"779062"	298.125288	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1675394"	120.025888	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"263009"	420.214568	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1238270"	242.115168	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1725700"	242.138693	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1192150"	82.3556846666667	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1665087"	247.094088	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"167811"	433.11784	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"607372"	611.21724	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1092978"	255.01844	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"149794"	217.062558	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"593728"	306.112258	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1078241"	128.012858	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1104888"	257.032992	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1339088"	257.120607	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1008100"	261.159776	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1526467"	262.153408	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"991824"	131.083526	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1592157"	263.068028	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1417825"	293.099538	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1148111"	151.596801	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1702041"	310.126085	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1637691"	315.08148	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1577717"	331.05542	"C14535"	"4-t-Butylbenzoic acid;p-tert-Butylbenzoic acid"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"813550"	284.0685	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M"	0
"976149"	265.05011	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"68764"	188.371724	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"505046"	283.061224	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"883942"	93.682224	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"208"	283.061224	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"441352"	425.095474	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"827539"	141.026974	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"89720"	567.129724	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"528188"	851.198224	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"910732"	283.061224	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"55993"	584.156271	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"497741"	868.224771	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"878827"	300.087771	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"46361"	589.111666	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"486168"	873.180166	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"863770"	305.043166	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1631434"	305.043166	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"109420"	301.049563	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"547521"	443.083813	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"941404"	159.015313	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"276313"	603.106402	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"668733"	887.174902	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1280049"	319.037902	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"21510"	605.085606	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"464350"	889.154106	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"839966"	321.017106	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1563453"	321.017106	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"951339"	329.066694	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"368459"	613.135201	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"353438"	627.150851	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1504461"	343.082351	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"966532"	351.048651	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"120911"	319.037902	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"564725"	461.072152	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1034005"	177.003652	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1255409"	362.987385	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1315664"	365.043372	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1334254"	387.025329	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"918751"	397.054086	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1294369"	433.030764	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1380923"	249.055824	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1394773"	267.0658	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"297866"	569.144276	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"690892"	853.212776	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1365783"	285.075776	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"140132"	285.075776	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"577505"	427.110026	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1047764"	143.041526	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"216027"	190.386276	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"654857"	285.075776	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1171887"	95.696776	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"434072"	586.170823	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"792884"	870.239323	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1688120"	302.102323	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"337492"	293.5890495	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"733194"	435.6232995	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1490293"	151.5547995	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"403505"	591.126218	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"762312"	875.194718	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1611507"	307.057718	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"317169"	296.066747	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"709956"	438.100997	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1469975"	154.032497	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1067595"	103.02409	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1263805"	317.101986	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"383475"	607.100158	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"744470"	891.168658	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1544336"	323.031658	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"312092"	304.053717	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"701598"	446.087967	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1457601"	162.019467	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"248390"	610.170826	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1222196"	326.102326	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1201705"	163.554801	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"200043"	613.10816	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"635228"	897.17666	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1142016"	329.03966	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"184211"	307.057718	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"617210"	449.091968	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1127278"	165.023468	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1405333"	110.351404	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1439637"	331.081246	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"228240"	312.09074	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1514114"	345.13329	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"419998"	315.044688	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"780265"	457.078938	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1677328"	173.010438	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"260568"	632.152768	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1237652"	348.084268	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1723623"	348.107793	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1191167"	117.678718	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1663247"	353.063188	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"167922"	645.05604	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"611855"	929.12454	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1090901"	360.98754	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"149904"	323.031658	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"594931"	465.065908	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1080535"	180.997408	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1103906"	363.002092	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1336403"	363.089707	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1006635"	367.128876	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1526212"	368.122508	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"990841"	184.068076	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1591174"	369.037128	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1417935"	399.068638	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1149317"	204.581351	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1702151"	416.095185	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1636708"	421.05058	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1577827"	437.02452	"C14536"	"Glycitein;74-Dihydroxy-6-methoxyisoflavone"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"808192"	296.126	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M"	0
"977352"	277.10761	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-H2O-H"	-19.01839
"68874"	196.410057333333	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M-3H"	-3.021828
"508437"	295.118724	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M-3H"	-3.021828
"892798"	97.7013906666667	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-3H"	-3.021828
"563"	295.118724	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M-2H"	-2.014552
"443285"	443.181724	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M-2H"	-2.014552
"830202"	147.055724	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-2H"	-2.014552
"91656"	591.244724	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M-H"	-1.007276
"527205"	887.370724	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M-H"	-1.007276
"909750"	295.118724	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-H"	-1.007276
"56103"	608.271271	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M-2H+NH4"	16.019271
"501377"	904.397271	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M-2H+NH4"	16.019271
"875658"	312.145271	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-2H+NH4"	16.019271
"45749"	613.226666	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M-2H+Na"	20.974666
"482027"	909.352666	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M-2H+Na"	20.974666
"862986"	317.100666	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-2H+Na"	20.974666
"1632638"	317.100666	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Na-2H"	20.974666
"108073"	313.107063	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M-H+Cl"	33.962126
"546903"	461.170063	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M-H+Cl"	33.962126
"938960"	165.044063	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-H+Cl"	33.962126
"275695"	627.221402	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+Cl"	34.969402
"668843"	923.347402	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+Cl"	34.969402
"1283441"	331.095402	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Cl"	34.969402
"23808"	629.200606	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M-2H+K"	36.948606
"463368"	925.326606	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M-2H+K"	36.948606
"840079"	333.074606	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-2H+K"	36.948606
"1562472"	333.074606	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+K-2H"	36.948606
"948167"	341.124194	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-H+HCOOH"	44.998194
"363469"	637.250201	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+HCOOH-H"	44.998201
"356465"	651.265851	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+Hac-H"	59.013851
"1502382"	355.139851	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Hac-H"	59.013851
"968465"	363.106151	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-H+NaCOOH"	66.980151
"122477"	331.095402	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+2Cl"	69.938804
"564592"	479.158402	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+2Cl"	69.938804
"1033022"	183.032402	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2Cl"	69.938804
"1254059"	375.044885	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Br"	78.918885
"1317964"	377.100872	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Cl+HCOOH"	80.974872
"1332907"	399.082829	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Cl+NaCOOH"	102.956829
"921048"	409.111586	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M-H+CF3COOH"	112.985586
"1298852"	445.088264	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Cl+CF3COOH"	148.962264
"1378480"	261.113324	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H-2H2O"	-35.012676
"1396705"	279.1233	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H-H2O"	-17.0027
"297487"	593.259276	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+H"	1.007276
"689909"	889.385276	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+H"	1.007276
"1363341"	297.133276	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H"	1.007276
"140242"	297.133276	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+2H"	2.014552
"577251"	445.196276	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+2H"	2.014552
"1048238"	149.070276	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2H"	2.014552
"216502"	198.424609333333	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+3H"	3.021828
"655331"	297.133276	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+3H"	3.021828
"1171997"	99.7159426666667	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+3H"	3.021828
"434911"	610.285823	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+NH4"	18.033823
"794087"	906.411823	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+NH4"	18.033823
"1688230"	314.159823	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+NH4"	18.033823
"338695"	305.6465495	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+H+NH4"	19.041099
"733304"	453.7095495	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+H+NH4"	19.041099
"1490403"	157.5835495	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H+NH4"	19.041099
"403615"	615.241218	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+Na"	22.989218
"762422"	911.367218	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+Na"	22.989218
"1611617"	319.115218	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Na"	22.989218
"316550"	308.124247	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+H+Na"	23.996494
"710065"	456.187247	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+H+Na"	23.996494
"1470085"	160.061247	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H+Na"	23.996494
"1066370"	107.043256666667	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2H+Na"	25.00377
"1263915"	329.159486	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+CH3OH+H"	33.033486
"383585"	631.215158	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+K"	38.963158
"744580"	927.341158	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+K"	38.963158
"1543353"	335.089158	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+K"	38.963158
"312568"	316.111217	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+H+K"	39.970434
"702802"	464.174217	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+H+K"	39.970434
"1456618"	168.048217	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H+K"	39.970434
"248501"	634.285826	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+ACN+H"	42.033826
"1220847"	338.159826	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+ACN+H"	42.033826
"1204731"	169.583551	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+ACN+2H"	43.041102
"199060"	637.22316	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+2Na-H"	44.97116
"636797"	933.34916	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+2Na-H"	44.97116
"1138845"	341.09716	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2Na-H"	44.97116
"183228"	319.115218	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+2Na"	45.978436
"617320"	467.178218	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+2Na"	45.978436
"1125201"	171.052218	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2Na"	45.978436
"1402162"	114.370570666667	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H+2Na"	46.985712
"1439383"	343.138746	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H+HCOOH"	47.012746
"221179"	324.14824	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+3H2O+2H"	56.04448
"1510944"	357.19079	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+IsoProp+H"	61.06479
"418285"	327.102188	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+Na+K"	61.952376
"779282"	475.165188	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+Na+K"	61.952376
"1675981"	179.039188	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Na+K"	61.952376
"263595"	656.267768	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+ACN+Na"	64.015768
"1238735"	360.141768	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+ACN+Na"	64.015768
"1720453"	360.165293	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+NH4+HCOOH"	64.039293
"1191278"	121.697884666667	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+3Na"	68.967654
"1663356"	365.120688	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Na+HCOOH"	68.994688
"166938"	669.17104	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+2K-H"	76.91904
"609777"	965.29704	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+2K-H"	76.91904
"1091012"	373.04504	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2K-H"	76.91904
"148919"	335.089158	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"2M+2K"	77.926316
"589574"	483.152158	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"3M+2K"	77.926316
"1078459"	187.026158	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2K"	77.926316
"1102922"	375.059592	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2K+H"	78.933592
"1337120"	375.147207	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+DMSO+H"	79.021207
"1006746"	379.186376	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2ACN+H"	83.060376
"1525960"	380.180008	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+IsoProp+Na+H"	84.054008
"991316"	190.096826	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+2ACN+2H"	84.067652
"1589097"	381.094628	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+K+HCOOH"	84.968628
"1416952"	411.126138	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+H+CF3COOH"	115.000138
"1149427"	210.610101	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+3ACN+2H"	125.094202
"1703354"	428.152685	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+NH4+CF3COOH"	132.026685
"1636818"	433.10808	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+Na+CF3COOH"	136.98208
"1577937"	449.08202	"C14537"	"Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-13-propanediol triacrylate;TMPTA"	"C15H20O6"	"296.126"	"M+K+CF3COOH"	152.95602
"808302"	338.1729	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M"	0
"976368"	319.15451	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-H2O-H"	-19.01839
"65337"	224.441324	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M-3H"	-3.021828
"508545"	337.165624	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M-3H"	-3.021828
"889627"	111.717024	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-3H"	-3.021828
"1279"	337.165624	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M-2H"	-2.014552
"445582"	506.252074	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M-2H"	-2.014552
"827759"	168.079174	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-2H"	-2.014552
"79366"	675.338524	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M-H"	-1.007276
"530596"	1013.511424	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M-H"	-1.007276
"909012"	337.165624	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-H"	-1.007276
"58400"	692.365071	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M-2H+NH4"	16.019271
"497961"	1030.537971	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M-2H+NH4"	16.019271
"874675"	354.192171	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-2H+NH4"	16.019271
"43669"	697.320466	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M-2H+Na"	20.974666
"483230"	1035.493366	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M-2H+Na"	20.974666
"861761"	359.147566	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-2H+Na"	20.974666
"1632628"	359.147566	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Na-2H"	20.974666
"108185"	355.153963	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M-H+Cl"	33.962126
"547015"	524.240413	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M-H+Cl"	33.962126
"939070"	186.067513	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-H+Cl"	33.962126
"280546"	711.315202	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+Cl"	34.969402
"671509"	1049.488102	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+Cl"	34.969402
"1281363"	373.142302	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Cl"	34.969402
"23554"	713.294406	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M-2H+K"	36.948606
"461291"	1051.467306	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M-2H+K"	36.948606
"841280"	375.121506	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-2H+K"	36.948606
"1563675"	375.121506	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+K-2H"	36.948606
"951557"	383.171094	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-H+HCOOH"	44.998194
"367588"	721.344001	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+HCOOH-H"	44.998201
"359127"	735.359651	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+Hac-H"	59.013851
"1505409"	397.186751	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Hac-H"	59.013851
"971494"	405.153051	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-H+NaCOOH"	66.980151
"123319"	373.142302	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+2Cl"	69.938804
"563242"	542.228752	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+2Cl"	69.938804
"1033495"	204.055852	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2Cl"	69.938804
"1254533"	417.091785	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Br"	78.918885
"1317343"	419.147772	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Cl+HCOOH"	80.974872
"1333017"	441.129729	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Cl+NaCOOH"	102.956829
"917878"	451.158486	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M-H+CF3COOH"	112.985586
"1295681"	487.135164	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Cl+CF3COOH"	148.962264
"1378225"	303.160224	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H-2H2O"	-35.012676
"1396450"	321.1702	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H-H2O"	-17.0027
"298329"	677.353076	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+H"	1.007276
"690383"	1015.525976	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+H"	1.007276
"1365638"	339.180176	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H"	1.007276
"138893"	339.180176	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+2H"	2.014552
"578090"	508.266626	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+2H"	2.014552
"1049807"	170.093726	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2H"	2.014552
"217705"	226.455876	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+3H"	3.021828
"657628"	339.180176	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+3H"	3.021828
"1175387"	113.731576	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+3H"	3.021828
"434291"	694.379623	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+NH4"	18.033823
"793102"	1032.552523	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+NH4"	18.033823
"1689433"	356.206723	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+NH4"	18.033823
"342085"	347.6934495	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+H+NH4"	19.041099
"729040"	516.7798995	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+H+NH4"	19.041099
"1491974"	178.6069995	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H+NH4"	19.041099
"406278"	699.335018	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+Na"	22.989218
"765813"	1037.507918	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+Na"	22.989218
"1615006"	361.162118	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Na"	22.989218
"318117"	350.171147	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+H+Na"	23.996494
"710539"	519.257597	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+H+Na"	23.996494
"1474569"	181.084697	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H+Na"	23.996494
"1065629"	121.05889	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2H+Na"	25.00377
"1265118"	371.206386	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+CH3OH+H"	33.033486
"386975"	715.308958	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+K"	38.963158
"742868"	1053.481858	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+K"	38.963158
"1545650"	377.136058	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+K"	38.963158
"312192"	358.158117	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+H+K"	39.970434
"704006"	527.244567	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+H+K"	39.970434
"1458550"	189.071667	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H+K"	39.970434
"247518"	718.379626	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+ACN+H"	42.033826
"1216949"	380.206726	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+ACN+H"	42.033826
"1203020"	190.607001	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+ACN+2H"	43.041102
"198076"	721.31696	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+2Na-H"	44.97116
"636543"	1059.48986	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+2Na-H"	44.97116
"1138955"	383.14406	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2Na-H"	44.97116
"183703"	361.162118	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+2Na"	45.978436
"620710"	530.248568	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+2Na"	45.978436
"1125311"	192.075668	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2Na"	45.978436
"1402272"	128.386204	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H+2Na"	46.985712
"1436577"	385.185646	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H+HCOOH"	47.012746
"220926"	366.19514	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+3H2O+2H"	56.04448
"1511054"	399.23769	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+IsoProp+H"	61.06479
"417302"	369.149088	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+Na+K"	61.952376
"780485"	538.235538	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+Na+K"	61.952376
"1674632"	200.062638	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Na+K"	61.952376
"262247"	740.361568	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+ACN+Na"	64.015768
"1238966"	402.188668	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+ACN+Na"	64.015768
"1722750"	402.212193	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+NH4+HCOOH"	64.039293
"1192363"	135.713518	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+3Na"	68.967654
"1662373"	407.167588	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Na+HCOOH"	68.994688
"165953"	753.26484	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+2K-H"	76.91904
"606607"	1091.43774	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+2K-H"	76.91904
"1092212"	415.09194	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2K-H"	76.91904
"147936"	377.136058	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"2M+2K"	77.926316
"587497"	546.222508	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"3M+2K"	77.926316
"1076383"	208.049608	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2K"	77.926316
"1103033"	417.106492	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2K+H"	78.933592
"1338323"	417.194107	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+DMSO+H"	79.021207
"1007950"	421.233276	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2ACN+H"	83.060376
"1526435"	422.226908	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+IsoProp+Na+H"	84.054008
"991060"	211.120276	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+2ACN+2H"	84.067652
"1589571"	423.141528	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+K+HCOOH"	84.968628
"1414996"	453.173038	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+H+CF3COOH"	115.000138
"1147380"	231.633551	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+3ACN+2H"	125.094202
"1703464"	470.199585	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+NH4+CF3COOH"	132.026685
"1636928"	475.15498	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+Na+CF3COOH"	136.98208
"1578047"	491.12892	"C14538"	"Trimethylolpropane trimethacrylate;2-Ethyl-2(hydroxymethyl)-13-propanediol trimethacrylate;TMPT"	"C18H26O6"	"338.1729"	"M+K+CF3COOH"	152.95602
"808412"	926.4313	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M"	0
"976477"	907.41291	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-H2O-H"	-19.01839
"66905"	616.613590666667	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M-3H"	-3.021828
"507562"	925.424024	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M-3H"	-3.021828
"889737"	307.803157333333	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-3H"	-3.021828
"1754"	925.424024	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M-2H"	-2.014552
"448972"	1388.639674	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M-2H"	-2.014552
"826776"	462.208374	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-2H"	-2.014552
"81299"	1851.855324	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M-H"	-1.007276
"531071"	2778.286624	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M-H"	-1.007276
"910094"	925.424024	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-H"	-1.007276
"58510"	1868.881871	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M-2H+NH4"	16.019271
"499894"	2795.313171	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M-2H+NH4"	16.019271
"873690"	942.450571	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-2H+NH4"	16.019271
"45845"	1873.837266	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M-2H+Na"	20.974666
"485769"	2800.268566	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M-2H+Na"	20.974666
"863529"	947.405966	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-2H+Na"	20.974666
"1631766"	947.405966	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Na-2H"	20.974666
"105741"	943.412363	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M-H+Cl"	33.962126
"547489"	1406.628013	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M-H+Cl"	33.962126
"939181"	480.196713	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-H+Cl"	33.962126
"277373"	1887.832002	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+Cl"	34.969402
"671254"	2814.263302	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+Cl"	34.969402
"1278193"	961.400702	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Cl"	34.969402
"24030"	1889.811206	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M-2H+K"	36.948606
"462497"	2816.242506	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M-2H+K"	36.948606
"838112"	963.379906	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-2H+K"	36.948606
"1561600"	963.379906	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+K-2H"	36.948606
"949482"	971.429494	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-H+HCOOH"	44.998194
"367698"	1897.860801	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+HCOOH-H"	44.998201
"359603"	1911.876451	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+Hac-H"	59.013851
"1503697"	985.445151	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Hac-H"	59.013851
"970874"	993.411451	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-H+NaCOOH"	66.980151
"122333"	961.400702	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+2Cl"	69.938804
"564444"	1424.616352	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+2Cl"	69.938804
"1033242"	498.185052	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2Cl"	69.938804
"1253549"	1005.350185	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Br"	78.918885
"1317090"	1007.406172	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Cl+HCOOH"	80.974872
"1333491"	1029.388129	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Cl+NaCOOH"	102.956829
"922362"	1039.416886	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M-H+CF3COOH"	112.985586
"1297978"	1075.393564	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Cl+CF3COOH"	148.962264
"1382718"	891.418624	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H-2H2O"	-35.012676
"1397653"	909.4286	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H-H2O"	-17.0027
"296246"	1853.869876	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+H"	1.007276
"689760"	2780.301176	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+H"	1.007276
"1365748"	927.438576	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H"	1.007276
"139001"	927.438576	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+2H"	2.014552
"578565"	1390.654226	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+2H"	2.014552
"1049915"	464.222926	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2H"	2.014552
"217813"	618.628142666667	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+3H"	3.021828
"657010"	927.438576	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+3H"	3.021828
"1175865"	309.817709333333	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+3H"	3.021828
"434400"	1870.896423	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+NH4"	18.033823
"793210"	2797.327723	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+NH4"	18.033823
"1692823"	944.465123	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+NH4"	18.033823
"342195"	935.9518495	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+H+NH4"	19.041099
"729150"	1399.1674995	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+H+NH4"	19.041099
"1492410"	472.7361995	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H+NH4"	19.041099
"407116"	1875.851818	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+Na"	22.989218
"765923"	2802.283118	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+Na"	22.989218
"1615116"	949.420518	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Na"	22.989218
"318227"	938.429547	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+H+Na"	23.996494
"710285"	1401.645197	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+H+Na"	23.996494
"1468117"	475.213897	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H+Na"	23.996494
"1059176"	317.145023333333	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2H+Na"	25.00377
"1261946"	959.464786	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+CH3OH+H"	33.033486
"380521"	1891.825758	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+K"	38.963158
"742614"	2818.257058	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+K"	38.963158
"1544667"	965.394458	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+K"	38.963158
"312424"	946.416517	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+H+K"	39.970434
"704845"	1409.632167	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+H+K"	39.970434
"1456840"	483.200867	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H+K"	39.970434
"245441"	1894.896426	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+ACN+H"	42.033826
"1219245"	968.465126	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+ACN+H"	42.033826
"1203129"	484.736201	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+ACN+2H"	43.041102
"198186"	1897.83376	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+2Na-H"	44.97116
"637746"	2824.26506	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+2Na-H"	44.97116
"1139063"	971.40246	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2Na-H"	44.97116
"180166"	949.420518	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+2Na"	45.978436
"620820"	1412.636168	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+2Na"	45.978436
"1124327"	486.204868	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2Na"	45.978436
"1402382"	324.472337333333	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H+2Na"	46.985712
"1436687"	973.444046	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H+HCOOH"	47.012746
"222008"	954.45354	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+3H2O+2H"	56.04448
"1514444"	987.49609	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+IsoProp+H"	61.06479
"418505"	957.407488	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+Na+K"	61.952376
"777315"	1420.623138	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+Na+K"	61.952376
"1676928"	494.191838	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Na+K"	61.952376
"261263"	1916.878368	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+ACN+Na"	64.015768
"1239075"	990.447068	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+ACN+Na"	64.015768
"1725775"	990.470593	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+NH4+HCOOH"	64.039293
"1193323"	331.799651333333	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+3Na"	68.967654
"1662483"	995.425988	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Na+HCOOH"	68.994688
"167156"	1929.78164	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+2K-H"	76.91904
"605622"	2856.21294	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+2K-H"	76.91904
"1092321"	1003.35034	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2K-H"	76.91904
"149138"	965.394458	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"2M+2K"	77.926316
"589792"	1428.610108	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"3M+2K"	77.926316
"1078680"	502.178808	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2K"	77.926316
"1106425"	1005.364892	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2K+H"	78.933592
"1337341"	1005.452507	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+DMSO+H"	79.021207
"1006358"	1009.491676	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2ACN+H"	83.060376
"1524397"	1010.485308	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+IsoProp+Na+H"	84.054008
"992992"	505.249476	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+2ACN+2H"	84.067652
"1590411"	1011.399928	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+K+HCOOH"	84.968628
"1414985"	1041.431438	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+H+CF3COOH"	115.000138
"1147096"	525.762751	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+3ACN+2H"	125.094202
"1702481"	1058.457985	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+NH4+CF3COOH"	132.026685
"1637038"	1063.41338	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+Na+CF3COOH"	136.98208
"1578157"	1079.38732	"C14539"	"Krm 1657"	"C50H62N4O13"	"926.4313"	"M+K+CF3COOH"	152.95602
"808522"	695.2942	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M"	0
"976585"	676.27581	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-H2O-H"	-19.01839
"65192"	462.522190666667	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M-3H"	-3.021828
"507672"	694.286924	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M-3H"	-3.021828
"892034"	230.757457333333	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-3H"	-3.021828
"4050"	694.286924	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M-2H"	-2.014552
"447988"	1041.934024	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M-2H"	-2.014552
"819231"	346.639824	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-2H"	-2.014552
"80676"	1389.581124	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M-H"	-1.007276
"522065"	2084.875324	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M-H"	-1.007276
"903149"	694.286924	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-H"	-1.007276
"54243"	1406.607671	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M-2H+NH4"	16.019271
"498547"	2101.901871	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M-2H+NH4"	16.019271
"876716"	711.313471	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-2H+NH4"	16.019271
"43889"	1411.563066	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M-2H+Na"	20.974666
"485271"	2106.857266	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M-2H+Na"	20.974666
"859791"	716.268866	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-2H+Na"	20.974666
"1631510"	716.268866	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Na-2H"	20.974666
"105121"	712.275263	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M-H+Cl"	33.962126
"542494"	1059.922363	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M-H+Cl"	33.962126
"936008"	364.628163	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-H+Cl"	33.962126
"277484"	1425.557802	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+Cl"	34.969402
"670267"	2120.852002	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+Cl"	34.969402
"1281583"	730.263602	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Cl"	34.969402
"24139"	1427.537006	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M-2H+K"	36.948606
"463699"	2122.831206	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M-2H+K"	36.948606
"839315"	732.242806	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-2H+K"	36.948606
"1564991"	732.242806	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+K-2H"	36.948606
"951779"	740.292394	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-H+HCOOH"	44.998194
"369631"	1435.586601	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+HCOOH-H"	44.998201
"357161"	1449.602251	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+Hac-H"	59.013851
"1500526"	754.308051	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Hac-H"	59.013851
"968068"	762.274351	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-H+NaCOOH"	66.980151
"122807"	730.263602	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+2Cl"	69.938804
"563095"	1077.910702	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+2Cl"	69.938804
"1032985"	382.616502	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2Cl"	69.938804
"1253658"	774.213085	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Br"	78.918885
"1317563"	776.269072	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Cl+HCOOH"	80.974872
"1333601"	798.251029	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Cl+NaCOOH"	102.956829
"922472"	808.279786	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M-H+CF3COOH"	112.985586
"1296994"	844.256464	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Cl+CF3COOH"	148.962264
"1381725"	660.281524	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H-2H2O"	-35.012676
"1396671"	678.2915	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H-H2O"	-17.0027
"295626"	1391.595676	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+H"	1.007276
"689507"	2086.889876	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+H"	1.007276
"1361846"	696.301476	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H"	1.007276
"139112"	696.301476	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+2H"	2.014552
"577577"	1043.948576	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+2H"	2.014552
"1049296"	348.654376	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2H"	2.014552
"213549"	464.536742666667	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+3H"	3.021828
"648734"	696.301476	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+3H"	3.021828
"1172327"	232.772009333333	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+3H"	3.021828
"434510"	1408.622223	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+NH4"	18.033823
"795506"	2103.916423	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+NH4"	18.033823
"1689652"	713.328023	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+NH4"	18.033823
"344127"	704.8147495	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+H+NH4"	19.041099
"729260"	1052.4618495	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+H+NH4"	19.041099
"1490735"	357.1676495	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H+NH4"	19.041099
"405040"	1413.577618	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+Na"	22.989218
"764940"	2108.871818	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+Na"	22.989218
"1615226"	718.283418	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Na"	22.989218
"318337"	707.292447	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+H+Na"	23.996494
"711124"	1054.939547	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+H+Na"	23.996494
"1469319"	359.645347	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H+Na"	23.996494
"1062565"	240.099323333333	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2H+Na"	25.00377
"1264242"	728.327686	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+CH3OH+H"	33.033486
"382817"	1429.551558	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+K"	38.963158
"742724"	2124.845758	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+K"	38.963158
"1545870"	734.257358	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+K"	38.963158
"311440"	715.279417	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+H+K"	39.970434
"703131"	1062.926517	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+H+K"	39.970434
"1454764"	367.632317	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H+K"	39.970434
"247738"	1432.622226	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+ACN+H"	42.033826
"1221541"	737.328026	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+ACN+H"	42.033826
"1202145"	369.167651	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+ACN+2H"	43.041102
"199387"	1435.55956	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+2Na-H"	44.97116
"641135"	2130.85376	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+2Na-H"	44.97116
"1139172"	740.26536	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2Na-H"	44.97116
"180276"	718.283418	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+2Na"	45.978436
"616920"	1065.930518	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+2Na"	45.978436
"1117631"	370.636318	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2Na"	45.978436
"1401762"	247.426637333333	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H+2Na"	46.985712
"1438983"	742.306946	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H+HCOOH"	47.012746
"223211"	723.31644	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+3H2O+2H"	56.04448
"1513459"	756.35899	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+IsoProp+H"	61.06479
"418615"	726.270388	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+Na+K"	61.952376
"777425"	1073.917488	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+Na+K"	61.952376
"1674852"	378.623288	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Na+K"	61.952376
"260279"	1454.604168	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+ACN+Na"	64.015768
"1238092"	759.309968	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+ACN+Na"	64.015768
"1725885"	759.333493	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+NH4+HCOOH"	64.039293
"1192826"	254.753951333333	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+3Na"	68.967654
"1662593"	764.288888	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Na+HCOOH"	68.994688
"165080"	1467.50744	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+2K-H"	76.91904
"607919"	2162.80164	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+2K-H"	76.91904
"1094618"	772.21324	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2K-H"	76.91904
"149248"	734.257358	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"2M+2K"	77.926316
"589902"	1081.904458	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"3M+2K"	77.926316
"1078790"	386.610258	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2K"	77.926316
"1105442"	774.227792	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2K+H"	78.933592
"1338542"	774.315407	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+DMSO+H"	79.021207
"1006216"	778.354576	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2ACN+H"	83.060376
"1525684"	779.348208	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+IsoProp+Na+H"	84.054008
"992738"	389.680926	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+2ACN+2H"	84.067652
"1591614"	780.262828	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+K+HCOOH"	84.968628
"1414377"	810.294338	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+H+CF3COOH"	115.000138
"1147359"	410.194201	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+3ACN+2H"	125.094202
"1702591"	827.320885	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+NH4+CF3COOH"	132.026685
"1637148"	832.27628	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+Na+CF3COOH"	136.98208
"1578267"	848.25022	"C14540"	"Rifamycin S"	"C37H45NO12"	"695.2942"	"M+K+CF3COOH"	152.95602
"808632"	250.1358	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M"	0
"978885"	231.11741	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H2O-H"	-19.01839
"68219"	165.749924	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-3H"	-3.021828
"511063"	249.128524	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-3H"	-3.021828
"893238"	82.371324	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-3H"	-3.021828
"8533"	249.128524	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H"	-2.014552
"448097"	374.196424	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H"	-2.014552
"820434"	124.060624	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H"	-2.014552
"81881"	499.264324	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H"	-1.007276
"522175"	749.400124	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H"	-1.007276
"903259"	249.128524	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H"	-1.007276
"55446"	516.290871	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+NH4"	16.019271
"498286"	766.426671	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+NH4"	16.019271
"873903"	266.155071	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+NH4"	16.019271
"46067"	521.246266	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+Na"	20.974666
"486354"	771.382066	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+Na"	20.974666
"861723"	271.110466	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+Na"	20.974666
"1628702"	271.110466	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na-2H"	20.974666
"104138"	267.116863	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H+Cl"	33.962126
"541510"	392.184763	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H+Cl"	33.962126
"932838"	142.048963	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+Cl"	33.962126
"277229"	535.241002	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Cl"	34.969402
"671472"	785.376802	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Cl"	34.969402
"1280600"	285.105202	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl"	34.969402
"23155"	537.220206	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+K"	36.948606
"462716"	787.356006	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+K"	36.948606
"843800"	287.084406	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+K"	36.948606
"1566197"	287.084406	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K-2H"	36.948606
"956629"	295.133994	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+HCOOH"	44.998194
"370104"	545.269801	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+HCOOH-H"	44.998201
"360717"	559.285451	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Hac-H"	59.013851
"1505009"	309.149651	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Hac-H"	59.013851
"970729"	317.115951	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+NaCOOH"	66.980151
"122188"	285.105202	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Cl"	69.938804
"562476"	410.173102	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Cl"	69.938804
"1036378"	160.037302	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Cl"	69.938804
"1255227"	329.054685	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Br"	78.918885
"1318403"	331.110672	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+HCOOH"	80.974872
"1334686"	353.092629	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+NaCOOH"	102.956829
"924041"	363.121386	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+CF3COOH"	112.985586
"1299292"	399.098064	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+CF3COOH"	148.962264
"1380743"	215.123124	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-2H2O"	-35.012676
"1396053"	233.1331	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-H2O"	-17.0027
"298377"	501.278876	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H"	1.007276
"689252"	751.414676	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H"	1.007276
"1361956"	251.143076	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H"	1.007276
"140680"	251.143076	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2H"	2.014552
"576958"	376.210976	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2H"	2.014552
"1049770"	126.075176	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H"	2.014552
"212566"	167.764476	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H"	3.021828
"649938"	251.143076	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+3H"	3.021828
"1172438"	84.385876	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3H"	3.021828
"436807"	518.305423	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+NH4"	18.033823
"796709"	768.441223	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+NH4"	18.033823
"1691948"	268.169623	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4"	18.033823
"341321"	259.6563495	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+NH4"	19.041099
"733745"	384.7242495	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+NH4"	19.041099
"1491937"	134.5884495	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+NH4"	19.041099
"405150"	523.260818	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na"	22.989218
"769631"	773.396618	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na"	22.989218
"1612056"	273.125018	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na"	22.989218
"318082"	262.134047	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+Na"	23.996494
"710502"	387.201947	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+Na"	23.996494
"1463596"	137.066147	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+Na"	23.996494
"1056841"	91.71319	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H+Na"	25.00377
"1263259"	283.169286	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+CH3OH+H"	33.033486
"381834"	539.234758	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+K"	38.963158
"749395"	789.370558	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+K"	38.963158
"1553635"	289.098958	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K"	38.963158
"310819"	270.121017	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+K"	39.970434
"698867"	395.188917	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+K"	39.970434
"1449403"	145.053117	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+K"	39.970434
"244566"	542.305426	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+H"	42.033826
"1219463"	292.169626	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+H"	42.033826
"1200068"	146.588451	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+2H"	43.041102
"196217"	545.24276	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na-H"	44.97116
"636871"	795.37856	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na-H"	44.97116
"1136366"	295.10696	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na-H"	44.97116
"181479"	273.125018	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na"	45.978436
"622133"	398.192918	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na"	45.978436
"1120900"	148.057118	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na"	45.978436
"1400170"	99.040504	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+2Na"	46.985712
"1438000"	297.148546	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+HCOOH"	47.012746
"222592"	278.15804	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H2O+2H"	56.04448
"1513569"	311.20059	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+H"	61.06479
"412165"	281.111988	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na+K"	61.952376
"780815"	406.179888	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na+K"	61.952376
"1676055"	156.044088	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+K"	61.952376
"262575"	564.287368	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+Na"	64.015768
"1238564"	314.151568	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+Na"	64.015768
"1724902"	314.175093	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+HCOOH"	64.039293
"1191358"	106.367818	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3Na"	68.967654
"1664769"	319.130488	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+HCOOH"	68.994688
"168470"	577.19064	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K-H"	76.91904
"610216"	827.32644	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K-H"	76.91904
"1093635"	327.05484	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K-H"	76.91904
"149359"	289.098958	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K"	77.926316
"590012"	414.166858	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K"	77.926316
"1078897"	164.031058	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K"	77.926316
"1106645"	329.069392	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K+H"	78.933592
"1336832"	329.157007	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+DMSO+H"	79.021207
"1006699"	333.196176	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+H"	83.060376
"1526156"	334.189808	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+Na+H"	84.054008
"992118"	167.101726	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+2H"	84.067652
"1588810"	335.104428	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+HCOOH"	84.968628
"1415447"	365.135938	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+CF3COOH"	115.000138
"1147314"	187.615001	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3ACN+2H"	125.094202
"1697353"	382.162485	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+CF3COOH"	132.026685
"1637258"	387.11788	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+CF3COOH"	136.98208
"1578377"	403.09182	"C14541"	"(R)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+CF3COOH"	152.95602
"807649"	250.1358	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M"	0
"981183"	231.11741	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H2O-H"	-19.01839
"66143"	165.749924	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-3H"	-3.021828
"511173"	249.128524	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-3H"	-3.021828
"893347"	82.371324	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-3H"	-3.021828
"7551"	249.128524	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H"	-2.014552
"444927"	374.196424	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H"	-2.014552
"819451"	124.060624	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H"	-2.014552
"83447"	499.264324	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H"	-1.007276
"528842"	749.400124	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H"	-1.007276
"900087"	249.128524	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H"	-1.007276
"54462"	516.290871	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+NH4"	16.019271
"497303"	766.426671	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+NH4"	16.019271
"876200"	266.155071	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+NH4"	16.019271
"46624"	521.246266	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+Na"	20.974666
"486955"	771.382066	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+Na"	20.974666
"863616"	271.110466	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+Na"	20.974666
"1628448"	271.110466	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na-2H"	20.974666
"103884"	267.116863	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H+Cl"	33.962126
"541620"	392.184763	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H+Cl"	33.962126
"932948"	142.048963	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+Cl"	33.962126
"277339"	535.241002	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Cl"	34.969402
"669394"	785.376802	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Cl"	34.969402
"1286177"	285.105202	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl"	34.969402
"25453"	537.220206	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+K"	36.948606
"459547"	787.356006	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+K"	36.948606
"840630"	287.084406	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+K"	36.948606
"1568492"	287.084406	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K-2H"	36.948606
"956374"	295.133994	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+HCOOH"	44.998194
"372401"	545.269801	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+HCOOH-H"	44.998201
"357381"	559.285451	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Hac-H"	59.013851
"1505119"	309.149651	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Hac-H"	59.013851
"969380"	317.115951	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+NaCOOH"	66.980151
"123028"	285.105202	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Cl"	69.938804
"563314"	410.173102	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Cl"	69.938804
"1035396"	160.037302	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Cl"	69.938804
"1254244"	329.054685	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Br"	78.918885
"1319368"	331.110672	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+HCOOH"	80.974872
"1333822"	353.092629	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+NaCOOH"	102.956829
"923787"	363.121386	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+CF3COOH"	112.985586
"1299768"	399.098064	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+CF3COOH"	148.962264
"1377575"	215.123124	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-2H2O"	-35.012676
"1397255"	233.1331	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-H2O"	-17.0027
"295849"	501.278876	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H"	1.007276
"688997"	751.414676	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H"	1.007276
"1363158"	251.143076	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H"	1.007276
"136414"	251.143076	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2H"	2.014552
"575975"	376.210976	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2H"	2.014552
"1046960"	126.075176	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H"	2.014552
"214860"	167.764476	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H"	3.021828
"650046"	251.143076	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+3H"	3.021828
"1174735"	84.385876	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3H"	3.021828
"436917"	518.305423	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+NH4"	18.033823
"796818"	768.441223	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+NH4"	18.033823
"1694246"	268.169623	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4"	18.033823
"339243"	259.6563495	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+NH4"	19.041099
"731669"	384.7242495	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+NH4"	19.041099
"1486582"	134.5884495	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+NH4"	19.041099
"401980"	523.260818	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na"	22.989218
"766254"	773.396618	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na"	22.989218
"1612165"	273.125018	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na"	22.989218
"318556"	262.134047	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+Na"	23.996494
"712435"	387.201947	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+Na"	23.996494
"1464432"	137.066147	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+Na"	23.996494
"1055857"	91.71319	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H+Na"	25.00377
"1261545"	283.169286	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+CH3OH+H"	33.033486
"379024"	539.234758	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+K"	38.963158
"752059"	789.370558	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+K"	38.963158
"1553746"	289.098958	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K"	38.963158
"306555"	270.121017	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+K"	39.970434
"697883"	395.188917	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+K"	39.970434
"1449514"	145.053117	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+K"	39.970434
"240302"	542.305426	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+H"	42.033826
"1216294"	292.169626	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+H"	42.033826
"1202364"	146.588451	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+2H"	43.041102
"192683"	545.24276	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na-H"	44.97116
"633337"	795.37856	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na-H"	44.97116
"1139392"	295.10696	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na-H"	44.97116
"182683"	273.125018	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na"	45.978436
"620786"	398.192918	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na"	45.978436
"1121374"	148.057118	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na"	45.978436
"1399429"	99.040504	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+2Na"	46.985712
"1434463"	297.148546	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+HCOOH"	47.012746
"226713"	278.15804	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H2O+2H"	56.04448
"1518057"	311.20059	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+H"	61.06479
"421024"	281.111988	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na+K"	61.952376
"782753"	406.179888	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na+K"	61.952376
"1679083"	156.044088	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+K"	61.952376
"263782"	564.287368	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+Na"	64.015768
"1241304"	314.151568	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+Na"	64.015768
"1728399"	314.175093	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+HCOOH"	64.039293
"1192923"	106.367818	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3Na"	68.967654
"1664880"	319.130488	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+HCOOH"	68.994688
"168580"	577.19064	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K-H"	76.91904
"605953"	827.32644	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K-H"	76.91904
"1092653"	327.05484	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K-H"	76.91904
"154936"	289.098958	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K"	77.926316
"596928"	414.166858	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K"	77.926316
"1080101"	164.031058	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K"	77.926316
"1103475"	329.069392	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K+H"	78.933592
"1339862"	329.157007	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+DMSO+H"	79.021207
"1006201"	333.196176	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+H"	83.060376
"1526516"	334.189808	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+Na+H"	84.054008
"991501"	167.101726	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+2H"	84.067652
"1588190"	335.104428	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+HCOOH"	84.968628
"1421878"	365.135938	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+CF3COOH"	115.000138
"1155447"	187.615001	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3ACN+2H"	125.094202
"1712532"	382.162485	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+CF3COOH"	132.026685
"1643930"	387.11788	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+CF3COOH"	136.98208
"1578487"	403.09182	"C14542"	"(S)-4-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+CF3COOH"	152.95602
"808852"	250.1358	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M"	0
"979103"	231.11741	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H2O-H"	-19.01839
"63106"	165.749924	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-3H"	-3.021828
"506909"	249.128524	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-3H"	-3.021828
"883616"	82.371324	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-3H"	-3.021828
"5474"	249.128524	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H"	-2.014552
"445037"	374.196424	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H"	-2.014552
"828306"	124.060624	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H"	-2.014552
"81738"	499.264324	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H"	-1.007276
"525672"	749.400124	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H"	-1.007276
"899104"	249.128524	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H"	-1.007276
"54572"	516.290871	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+NH4"	16.019271
"496320"	766.426671	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+NH4"	16.019271
"875219"	266.155071	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+NH4"	16.019271
"45558"	521.246266	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+Na"	20.974666
"485969"	771.382066	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+Na"	20.974666
"862673"	271.110466	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+Na"	20.974666
"1631475"	271.110466	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na-2H"	20.974666
"106910"	267.116863	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H+Cl"	33.962126
"543553"	392.184763	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H+Cl"	33.962126
"940713"	142.048963	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+Cl"	33.962126
"277813"	535.241002	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Cl"	34.969402
"673516"	785.376802	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Cl"	34.969402
"1283004"	285.105202	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl"	34.969402
"25562"	537.220206	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+K"	36.948606
"461844"	787.356006	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+K"	36.948606
"840740"	287.084406	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+K"	36.948606
"1564227"	287.084406	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K-2H"	36.948606
"948829"	295.133994	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+HCOOH"	44.998194
"369230"	545.269801	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+HCOOH-H"	44.998201
"356397"	559.285451	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Hac-H"	59.013851
"1504136"	309.149651	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Hac-H"	59.013851
"969490"	317.115951	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+NaCOOH"	66.980151
"123139"	285.105202	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Cl"	69.938804
"561965"	410.173102	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Cl"	69.938804
"1035509"	160.037302	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Cl"	69.938804
"1255086"	329.054685	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Br"	78.918885
"1319601"	331.110672	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+HCOOH"	80.974872
"1333811"	353.092629	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+NaCOOH"	102.956829
"924261"	363.121386	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+CF3COOH"	112.985586
"1302430"	399.098064	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+CF3COOH"	148.962264
"1379872"	215.123124	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-2H2O"	-35.012676
"1396273"	233.1331	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-H2O"	-17.0027
"297052"	501.278876	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H"	1.007276
"688743"	751.414676	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H"	1.007276
"1363632"	251.143076	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H"	1.007276
"137617"	251.143076	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2H"	2.014552
"578271"	376.210976	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2H"	2.014552
"1048163"	126.075176	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H"	2.014552
"216063"	167.764476	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H"	3.021828
"647969"	251.143076	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+3H"	3.021828
"1176304"	84.385876	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3H"	3.021828
"431559"	518.305423	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+NH4"	18.033823
"793648"	768.441223	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+NH4"	18.033823
"1691073"	268.169623	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4"	18.033823
"337166"	259.6563495	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+NH4"	19.041099
"732872"	384.7242495	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+NH4"	19.041099
"1488879"	134.5884495	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+NH4"	19.041099
"402090"	523.260818	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na"	22.989218
"766364"	773.396618	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na"	22.989218
"1608995"	273.125018	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na"	22.989218
"316113"	262.134047	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+Na"	23.996494
"711450"	387.201947	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+Na"	23.996494
"1465270"	137.066147	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+Na"	23.996494
"1059610"	91.71319	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H+Na"	25.00377
"1261287"	283.169286	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+CH3OH+H"	33.033486
"378404"	539.234758	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+K"	38.963158
"751440"	789.370558	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+K"	38.963158
"1552764"	289.098958	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K"	38.963158
"306665"	270.121017	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+K"	39.970434
"701271"	395.188917	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+K"	39.970434
"1451811"	145.053117	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+K"	39.970434
"240412"	542.305426	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+H"	42.033826
"1215311"	292.169626	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+H"	42.033826
"1203568"	146.588451	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+2H"	43.041102
"192065"	545.24276	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na-H"	44.97116
"631625"	795.37856	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na-H"	44.97116
"1139502"	295.10696	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na-H"	44.97116
"179877"	273.125018	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na"	45.978436
"619439"	398.192918	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na"	45.978436
"1120756"	148.057118	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na"	45.978436
"1401361"	99.040504	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+2Na"	46.985712
"1434209"	297.148546	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+HCOOH"	47.012746
"224636"	278.15804	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H2O+2H"	56.04448
"1510876"	311.20059	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+H"	61.06479
"412750"	281.111988	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na+K"	61.952376
"783224"	406.179888	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na+K"	61.952376
"1676275"	156.044088	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+K"	61.952376
"263888"	564.287368	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+Na"	64.015768
"1240247"	314.151568	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+Na"	64.015768
"1725485"	314.175093	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+HCOOH"	64.039293
"1190849"	106.367818	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3Na"	68.967654
"1663655"	319.130488	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+HCOOH"	68.994688
"171607"	577.19064	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K-H"	76.91904
"607157"	827.32644	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K-H"	76.91904
"1092763"	327.05484	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K-H"	76.91904
"153953"	289.098958	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K"	77.926316
"596069"	414.166858	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K"	77.926316
"1074745"	164.031058	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K"	77.926316
"1111234"	329.069392	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K+H"	78.933592
"1350294"	329.157007	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+DMSO+H"	79.021207
"1012869"	333.196176	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+H"	83.060376
"1536461"	334.189808	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+Na+H"	84.054008
"990518"	167.101726	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+2H"	84.067652
"1587937"	335.104428	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+HCOOH"	84.968628
"1421988"	365.135938	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+CF3COOH"	115.000138
"1155557"	187.615001	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3ACN+2H"	125.094202
"1712562"	382.162485	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+CF3COOH"	132.026685
"1644040"	387.11788	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+CF3COOH"	136.98208
"1581877"	403.09182	"C14543"	"(R)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+CF3COOH"	152.95602
"808962"	250.1358	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M"	0
"980306"	231.11741	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H2O-H"	-19.01839
"66727"	165.749924	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-3H"	-3.021828
"511393"	249.128524	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-3H"	-3.021828
"888100"	82.371324	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-3H"	-3.021828
"7771"	249.128524	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H"	-2.014552
"448427"	374.196424	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H"	-2.014552
"829875"	124.060624	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H"	-2.014552
"82941"	499.264324	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H"	-1.007276
"525782"	749.400124	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H"	-1.007276
"901401"	249.128524	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H"	-1.007276
"59421"	516.290871	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+NH4"	16.019271
"497523"	766.426671	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+NH4"	16.019271
"876423"	266.155071	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+NH4"	16.019271
"41039"	521.246266	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+Na"	20.974666
"486326"	771.382066	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+Na"	20.974666
"863517"	271.110466	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+Na"	20.974666
"1633777"	271.110466	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na-2H"	20.974666
"108113"	267.116863	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-H+Cl"	33.962126
"549885"	392.184763	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-H+Cl"	33.962126
"942701"	142.048963	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+Cl"	33.962126
"280110"	535.241002	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Cl"	34.969402
"674601"	785.376802	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Cl"	34.969402
"1286518"	285.105202	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl"	34.969402
"26402"	537.220206	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M-2H+K"	36.948606
"466327"	787.356006	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M-2H+K"	36.948606
"845953"	287.084406	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-2H+K"	36.948606
"1563244"	287.084406	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K-2H"	36.948606
"947846"	295.133994	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+HCOOH"	44.998194
"372258"	545.269801	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+HCOOH-H"	44.998201
"359913"	559.285451	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Hac-H"	59.013851
"1506435"	309.149651	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Hac-H"	59.013851
"972884"	317.115951	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+NaCOOH"	66.980151
"124100"	285.105202	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Cl"	69.938804
"565118"	410.173102	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Cl"	69.938804
"1036990"	160.037302	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Cl"	69.938804
"1256903"	329.054685	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Br"	78.918885
"1319104"	331.110672	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+HCOOH"	80.974872
"1333921"	353.092629	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+NaCOOH"	102.956829
"926075"	363.121386	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M-H+CF3COOH"	112.985586
"1303754"	399.098064	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Cl+CF3COOH"	148.962264
"1381926"	215.123124	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-2H2O"	-35.012676
"1398212"	233.1331	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H-H2O"	-17.0027
"298257"	501.278876	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H"	1.007276
"688488"	751.414676	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H"	1.007276
"1363742"	251.143076	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H"	1.007276
"136634"	251.143076	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2H"	2.014552
"576195"	376.210976	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2H"	2.014552
"1047180"	126.075176	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H"	2.014552
"215080"	167.764476	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H"	3.021828
"649172"	251.143076	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+3H"	3.021828
"1178242"	84.385876	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3H"	3.021828
"437136"	518.305423	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+NH4"	18.033823
"797038"	768.441223	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+NH4"	18.033823
"1691183"	268.169623	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4"	18.033823
"337276"	259.6563495	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+NH4"	19.041099
"732982"	384.7242495	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+NH4"	19.041099
"1484615"	134.5884495	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+NH4"	19.041099
"405480"	523.260818	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na"	22.989218
"767568"	773.396618	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na"	22.989218
"1609105"	273.125018	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na"	22.989218
"318411"	262.134047	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+Na"	23.996494
"710466"	387.201947	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+Na"	23.996494
"1463193"	137.066147	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+Na"	23.996494
"1058625"	91.71319	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2H+Na"	25.00377
"1260304"	283.169286	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+CH3OH+H"	33.033486
"378514"	539.234758	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+K"	38.963158
"753008"	789.370558	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+K"	38.963158
"1553603"	289.098958	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K"	38.963158
"309689"	270.121017	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+H+K"	39.970434
"703937"	395.188917	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+H+K"	39.970434
"1451925"	145.053117	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+K"	39.970434
"247451"	542.305426	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+H"	42.033826
"1211775"	292.169626	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+H"	42.033826
"1200398"	146.588451	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+2H"	43.041102
"190717"	545.24276	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na-H"	44.97116
"632463"	795.37856	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na-H"	44.97116
"1140708"	295.10696	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na-H"	44.97116
"180717"	273.125018	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2Na"	45.978436
"625017"	398.192918	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2Na"	45.978436
"1120865"	148.057118	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2Na"	45.978436
"1402202"	99.040504	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+2Na"	46.985712
"1431037"	297.148546	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+HCOOH"	47.012746
"220733"	278.15804	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+3H2O+2H"	56.04448
"1509036"	311.20059	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+H"	61.06479
"423070"	281.111988	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+Na+K"	61.952376
"781148"	406.179888	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+Na+K"	61.952376
"1677479"	156.044088	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+K"	61.952376
"265095"	564.287368	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+ACN+Na"	64.015768
"1238534"	314.151568	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+ACN+Na"	64.015768
"1724501"	314.175093	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+HCOOH"	64.039293
"1188044"	106.367818	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3Na"	68.967654
"1658667"	319.130488	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+HCOOH"	68.994688
"169900"	577.19064	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K-H"	76.91904
"610552"	827.32644	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K-H"	76.91904
"1092873"	327.05484	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K-H"	76.91904
"152969"	289.098958	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"2M+2K"	77.926316
"595083"	414.166858	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"3M+2K"	77.926316
"1074855"	164.031058	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K"	77.926316
"1113897"	329.069392	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2K+H"	78.933592
"1346635"	329.157007	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+DMSO+H"	79.021207
"1011886"	333.196176	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+H"	83.060376
"1532197"	334.189808	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+IsoProp+Na+H"	84.054008
"992084"	167.101726	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+2ACN+2H"	84.067652
"1587318"	335.104428	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+HCOOH"	84.968628
"1429026"	365.135938	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+H+CF3COOH"	115.000138
"1155667"	187.615001	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+3ACN+2H"	125.094202
"1711056"	382.162485	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+NH4+CF3COOH"	132.026685
"1644150"	387.11788	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+Na+CF3COOH"	136.98208
"1581987"	403.09182	"C14544"	"(S)-5-Deoxyindenestrol"	"C18H18O"	"250.1358"	"M+K+CF3COOH"	152.95602
"805792"	266.1307	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M"	0
"977136"	247.11231	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"66472"	176.413190666667	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"506400"	265.123424	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"883836"	87.7029573333333	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"2414"	265.123424	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"445257"	398.188774	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"827433"	132.058074	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"81958"	531.254124	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"522611"	797.384824	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"896393"	265.123424	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"47372"	548.280671	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"491071"	814.411371	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"876532"	282.149971	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"41149"	553.236066	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"485708"	819.366766	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"863665"	287.105366	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1633156"	287.105366	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"108223"	283.111763	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"549001"	416.177113	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"942283"	150.046413	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"277304"	567.230802	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"675318"	833.361502	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1286870"	301.100102	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"29064"	569.210006	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"468260"	835.340706	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"838773"	303.079306	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1562261"	303.079306	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"946863"	311.128894	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"369452"	577.259601	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"360630"	591.275251	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1507637"	325.144551	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"973479"	333.110851	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"125265"	301.100102	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"564132"	434.165452	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1036700"	168.034752	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1256399"	345.049585	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1318967"	347.105572	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1334639"	369.087529	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"925942"	379.116286	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1301918"	415.092964	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1382646"	231.118024	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1398321"	249.128	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"298123"	533.268676	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"687505"	799.399376	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1362759"	267.137976	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"135651"	267.137976	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"576305"	400.203326	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1045104"	134.072626	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"213004"	178.427742666667	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"647096"	267.137976	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1178106"	89.7175093333333	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"437246"	550.295223	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"797148"	816.425923	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1688012"	284.164523	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"335198"	275.6512495	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"727622"	408.7165995	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1482901"	142.5858995	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"403402"	555.250618	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"760386"	821.381318	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1610671"	289.119918	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"318155"	278.128947	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"708021"	411.194297	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1463666"	145.063597	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1056913"	97.0448233333333	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1260778"	299.164186	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"378623"	571.224558	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"748744"	837.355258	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1551890"	305.093858	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"311257"	286.115917	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"704047"	419.181267	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1455316"	153.050567	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"248654"	574.295226	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1212612"	308.164526	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1201601"	154.585901	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"191918"	577.23256	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"633665"	843.36326	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1139724"	311.10186	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"183014"	289.119918	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"625127"	422.185268	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1120975"	156.054568	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1400125"	104.372137333333	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1431147"	313.143446	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"220595"	294.15294	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1509267"	327.19549	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"411144"	297.106888	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"772869"	430.172238	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1676496"	164.041538	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"264111"	596.277168	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1240585"	330.146468	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1723517"	330.169993	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1189978"	111.699451333333	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1662056"	335.125388	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"170736"	609.18044	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"610662"	875.31114	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1092983"	343.04974	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"153079"	305.093858	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"595800"	438.159208	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1074965"	172.028508	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1114371"	345.064292	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1346745"	345.151907	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1011996"	349.191076	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1533401"	350.184708	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"993287"	175.099176	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1591076"	351.099328	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1429137"	381.130838	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1155777"	195.612451	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1711167"	398.157385	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1644260"	403.11278	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1582097"	419.08672	"C14545"	"(S)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"801435"	266.1307	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M"	0
"978337"	247.11231	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"63665"	176.413190666667	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"502921"	265.123424	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"885037"	87.7029573333333	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"2886"	265.123424	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"445364"	398.188774	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"819884"	132.058074	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"84250"	531.254124	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"524905"	797.384824	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"897361"	265.123424	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"54895"	548.280671	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"493361"	814.411371	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"874451"	282.149971	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"34695"	553.236066	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"483008"	819.366766	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"857528"	287.105366	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1625967"	287.105366	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"103587"	283.111763	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"545339"	416.177113	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"941771"	150.046413	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"279593"	567.230802	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"675302"	833.361502	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1285519"	301.100102	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"26981"	569.210006	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"463262"	835.340706	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"839975"	303.079306	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1562368"	303.079306	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"946972"	311.128894	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"367373"	577.259601	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"353444"	591.275251	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1498996"	325.144551	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"971277"	333.110851	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"123465"	301.100102	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"564605"	434.165452	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1035712"	168.034752	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1253587"	345.049585	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1317127"	347.105572	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1330977"	369.087529	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"916570"	379.116286	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1293275"	415.092964	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1380200"	231.118024	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1397211"	249.128	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"296290"	533.268676	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"682148"	799.399376	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1361776"	267.137976	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"134667"	267.137976	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"575320"	400.203326	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1045212"	134.072626	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"211654"	178.427742666667	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"647206"	267.137976	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1166424"	89.7175093333333	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"431890"	550.295223	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"790699"	816.425923	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1687029"	284.164523	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"339681"	275.6512495	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"725176"	408.7165995	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1478633"	142.5858995	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"396584"	555.250618	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"760130"	821.381318	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1602915"	289.119918	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"314982"	278.128947	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"707111"	411.194297	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1464138"	145.063597	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1052892"	97.0448233333333	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1258088"	299.164186	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"377114"	571.224558	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"751039"	837.355258	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1552000"	305.093858	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"311367"	286.115917	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"705614"	419.181267	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1460164"	153.050567	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"249493"	574.295226	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1215640"	308.164526	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1201712"	154.585901	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"192394"	577.23256	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"635236"	843.36326	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1142751"	311.10186	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"183124"	289.119918	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"623777"	422.185268	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1117805"	156.054568	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1399384"	104.372137333333	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1431257"	313.143446	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"220220"	294.15294	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1509742"	327.19549	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"411982"	297.106888	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"773708"	430.172238	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1675513"	164.041538	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"264221"	596.277168	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1236928"	330.146468	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1727879"	330.169993	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1191179"	111.699451333333	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1663258"	335.125388	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"170847"	609.18044	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"611864"	875.31114	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1090541"	343.04974	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"151002"	305.093858	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"596274"	438.159208	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1073981"	172.028508	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1112658"	345.064292	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1343575"	345.151907	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1017569"	349.191076	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1530231"	350.184708	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"993397"	175.099176	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1591186"	351.099328	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1429246"	381.130838	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1154794"	195.612451	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1712008"	398.157385	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1644370"	403.11278	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1582207"	419.08672	"C14546"	"(R)-Indenestrol A"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"802729"	266.1307	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M"	0
"977354"	247.11231	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"63451"	176.413190666667	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"503201"	265.123424	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"888426"	87.7029573333333	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"2631"	265.123424	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"442193"	398.188774	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"818901"	132.058074	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"84360"	531.254124	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"526108"	797.384824	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"895848"	265.123424	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"47303"	548.280671	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"487717"	814.411371	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"871281"	282.149971	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"34805"	553.236066	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"483118"	819.366766	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"852170"	287.105366	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1624983"	287.105366	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"100418"	283.111763	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"545813"	416.177113	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"940057"	150.046413	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"279341"	567.230802	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"675332"	833.361502	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1285629"	301.100102	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"23811"	569.210006	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"458999"	835.340706	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"838991"	303.079306	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1560290"	303.079306	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"948175"	311.128894	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"366390"	577.259601	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"353554"	591.275251	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1499105"	325.144551	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"969929"	333.110851	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"121386"	301.100102	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"563499"	434.165452	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1035213"	168.034752	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1253331"	345.049585	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1316507"	347.105572	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1330723"	369.087529	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"917041"	379.116286	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1295572"	415.092964	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1381282"	231.118024	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1397686"	249.128	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"296400"	533.268676	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"684445"	799.399376	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1364072"	267.137976	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"134777"	267.137976	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"575430"	400.203326	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1046415"	134.072626	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"210671"	178.427742666667	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"644289"	267.137976	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1166534"	89.7175093333333	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"434186"	550.295223	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"796276"	816.425923	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1685680"	284.164523	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"334688"	275.6512495	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"729296"	408.7165995	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1480565"	142.5858995	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"396694"	555.250618	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"762427"	821.381318	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1602838"	289.119918	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"315092"	278.128947	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"707745"	411.194297	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1463884"	145.063597	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1053721"	97.0448233333333	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1257833"	299.164186	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"377541"	571.224558	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"738770"	837.355258	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1539971"	305.093858	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"304908"	286.115917	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"705360"	419.181267	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1459545"	153.050567	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"249238"	574.295226	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1214658"	308.164526	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1202915"	154.585901	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"192139"	577.23256	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"635710"	843.36326	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1141039"	311.10186	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"183234"	289.119918	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"622794"	422.185268	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1117915"	156.054568	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1399007"	104.372137333333	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1430636"	313.143446	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"221791"	294.15294	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1515321"	327.19549	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"409540"	297.106888	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"772722"	430.172238	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1673433"	164.041538	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"263238"	596.277168	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1232664"	330.146468	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1722642"	330.169993	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1190192"	111.699451333333	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1663364"	335.125388	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"170956"	609.18044	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"612338"	875.31114	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1093203"	343.04974	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"151112"	305.093858	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"591766"	438.159208	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1074092"	172.028508	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1106207"	345.064292	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1342591"	345.151907	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1014399"	349.191076	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1531434"	350.184708	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"991320"	175.099176	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1589109"	351.099328	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1428868"	381.130838	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1155997"	195.612451	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1711996"	398.157385	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1644480"	403.11278	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1582317"	419.08672	"C14547"	"(S)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"802108"	266.1307	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M"	0
"986211"	247.11231	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H2O-H"	-19.01839
"68989"	176.413190666667	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-3H"	-3.021828
"503567"	265.123424	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-3H"	-3.021828
"884164"	87.7029573333333	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-3H"	-3.021828
"2741"	265.123424	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H"	-2.014552
"440844"	398.188774	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H"	-2.014552
"819011"	132.058074	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H"	-2.014552
"86657"	531.254124	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-H"	-1.007276
"526218"	797.384824	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-H"	-1.007276
"896355"	265.123424	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H"	-1.007276
"52926"	548.280671	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H+NH4"	16.019271
"487618"	814.411371	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H+NH4"	16.019271
"871391"	282.149971	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H+NH4"	16.019271
"33822"	553.236066	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H+Na"	20.974666
"482135"	819.366766	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H+Na"	20.974666
"854467"	287.105366	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H+Na"	20.974666
"1627280"	287.105366	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na-2H"	20.974666
"107455"	283.111763	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-H+Cl"	33.962126
"546653"	416.177113	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-H+Cl"	33.962126
"941507"	150.046413	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+Cl"	33.962126
"280791"	567.230802	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Cl"	34.969402
"675323"	833.361502	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+Cl"	34.969402
"1284646"	301.100102	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl"	34.969402
"27201"	569.210006	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M-2H+K"	36.948606
"462391"	835.340706	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M-2H+K"	36.948606
"840192"	303.079306	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-2H+K"	36.948606
"1560401"	303.079306	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K-2H"	36.948606
"947191"	311.128894	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+HCOOH"	44.998194
"365407"	577.259601	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+HCOOH-H"	44.998201
"354758"	591.275251	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Hac-H"	59.013851
"1498123"	325.144551	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Hac-H"	59.013851
"972228"	333.110851	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+NaCOOH"	66.980151
"121861"	301.100102	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2Cl"	69.938804
"562882"	434.165452	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2Cl"	69.938804
"1034963"	168.034752	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2Cl"	69.938804
"1254537"	345.049585	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Br"	78.918885
"1317347"	347.105572	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl+HCOOH"	80.974872
"1333386"	369.087529	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl+NaCOOH"	102.956829
"917881"	379.116286	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M-H+CF3COOH"	112.985586
"1298962"	415.092964	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Cl+CF3COOH"	148.962264
"1380059"	231.118024	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H-2H2O"	-35.012676
"1398042"	249.128	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H-H2O"	-17.0027
"297970"	533.268676	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H"	1.007276
"684555"	799.399376	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H"	1.007276
"1364184"	267.137976	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H"	1.007276
"140354"	267.137976	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2H"	2.014552
"576269"	400.203326	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2H"	2.014552
"1047255"	134.072626	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2H"	2.014552
"212239"	178.427742666667	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+3H"	3.021828
"647423"	267.137976	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+3H"	3.021828
"1169924"	89.7175093333333	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+3H"	3.021828
"434296"	550.295223	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+NH4"	18.033823
"794199"	816.425923	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+NH4"	18.033823
"1691623"	284.164523	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+NH4"	18.033823
"338807"	275.6512495	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H+NH4"	19.041099
"725396"	408.7165995	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H+NH4"	19.041099
"1478853"	142.5858995	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+NH4"	19.041099
"398627"	555.250618	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Na"	22.989218
"758527"	821.381318	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+Na"	22.989218
"1606624"	289.119918	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na"	22.989218
"317390"	278.128947	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H+Na"	23.996494
"708957"	411.194297	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H+Na"	23.996494
"1461598"	145.063597	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+Na"	23.996494
"1053838"	97.0448233333333	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2H+Na"	25.00377
"1260014"	299.164186	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+CH3OH+H"	33.033486
"377531"	571.224558	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+K"	38.963158
"739939"	837.355258	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+K"	38.963158
"1546750"	305.093858	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K"	38.963158
"303926"	286.115917	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+H+K"	39.970434
"702913"	419.181267	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+H+K"	39.970434
"1453448"	153.050567	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+K"	39.970434
"243147"	574.295226	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+ACN+H"	42.033826
"1221329"	308.164526	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+ACN+H"	42.033826
"1205212"	154.585901	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+ACN+2H"	43.041102
"197719"	577.23256	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2Na-H"	44.97116
"634363"	843.36326	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2Na-H"	44.97116
"1137502"	311.10186	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2Na-H"	44.97116
"182252"	289.119918	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2Na"	45.978436
"618167"	422.185268	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2Na"	45.978436
"1123131"	156.054568	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2Na"	45.978436
"1402641"	104.372137333333	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+2Na"	46.985712
"1432206"	313.143446	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+HCOOH"	47.012746
"224818"	294.15294	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+3H2O+2H"	56.04448
"1513609"	327.19549	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+IsoProp+H"	61.06479
"411472"	297.106888	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+Na+K"	61.952376
"771374"	430.172238	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+Na+K"	61.952376
"1670261"	164.041538	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na+K"	61.952376
"255688"	596.277168	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+ACN+Na"	64.015768
"1233867"	330.146468	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+ACN+Na"	64.015768
"1723845"	330.169993	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+NH4+HCOOH"	64.039293
"1188119"	111.699451333333	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+3Na"	68.967654
"1661292"	335.125388	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na+HCOOH"	68.994688
"169244"	609.18044	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2K-H"	76.91904
"605887"	875.31114	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2K-H"	76.91904
"1094043"	343.04974	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2K-H"	76.91904
"153411"	305.093858	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"2M+2K"	77.926316
"591878"	438.159208	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"3M+2K"	77.926316
"1078576"	172.028508	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2K"	77.926316
"1109599"	345.064292	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2K+H"	78.933592
"1340516"	345.151907	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+DMSO+H"	79.021207
"1015606"	349.191076	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2ACN+H"	83.060376
"1529356"	350.184708	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+IsoProp+Na+H"	84.054008
"990458"	175.099176	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+2ACN+2H"	84.067652
"1591402"	351.099328	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K+HCOOH"	84.968628
"1420342"	381.130838	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+H+CF3COOH"	115.000138
"1160472"	195.612451	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+3ACN+2H"	125.094202
"1712592"	398.157385	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+NH4+CF3COOH"	132.026685
"1644590"	403.11278	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+Na+CF3COOH"	136.98208
"1582427"	419.08672	"C14548"	"(R)-Indenestrol B"	"C18H18O2"	"266.1307"	"M+K+CF3COOH"	152.95602
"801625"	276.097	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M"	0
"983041"	257.07861	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-H2O-H"	-19.01839
"71285"	183.057390666667	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M-3H"	-3.021828
"506473"	275.089724	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M-3H"	-3.021828
"885367"	91.0250573333333	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-3H"	-3.021828
"906"	275.089724	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M-2H"	-2.014552
"440831"	413.138224	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M-2H"	-2.014552
"817289"	137.041224	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-2H"	-2.014552
"79838"	551.186724	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M-H"	-1.007276
"518786"	827.283724	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M-H"	-1.007276
"897315"	275.089724	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-H"	-1.007276
"48048"	568.213271	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M-2H+NH4"	16.019271
"488699"	844.310271	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M-2H+NH4"	16.019271
"871501"	292.116271	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-2H+NH4"	16.019271
"33932"	573.168666	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M-2H+Na"	20.974666
"473491"	849.265666	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M-2H+Na"	20.974666
"855667"	297.071666	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-2H+Na"	20.974666
"1630307"	297.071666	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Na-2H"	20.974666
"106107"	293.078063	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M-H+Cl"	33.962126
"545667"	431.126563	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M-H+Cl"	33.962126
"940276"	155.029563	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-H+Cl"	33.962126
"277738"	587.163402	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+Cl"	34.969402
"674173"	863.260402	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+Cl"	34.969402
"1283663"	311.066402	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Cl"	34.969402
"27311"	589.142606	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M-2H+K"	36.948606
"462501"	865.239606	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M-2H+K"	36.948606
"840302"	313.045606	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-2H+K"	36.948606
"1562698"	313.045606	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+K-2H"	36.948606
"949486"	321.095194	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-H+HCOOH"	44.998194
"369890"	597.192201	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+HCOOH-H"	44.998201
"354868"	611.207851	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+Hac-H"	59.013851
"1501513"	335.110851	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Hac-H"	59.013851
"971607"	343.077151	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-H+NaCOOH"	66.980151
"123430"	311.066402	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+2Cl"	69.938804
"563355"	449.114902	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+2Cl"	69.938804
"1036532"	173.017902	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2Cl"	69.938804
"1256468"	355.015885	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Br"	78.918885
"1316729"	357.071872	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Cl+HCOOH"	80.974872
"1331672"	379.053829	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Cl+NaCOOH"	102.956829
"922365"	389.082586	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M-H+CF3COOH"	112.985586
"1296885"	425.059264	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Cl+CF3COOH"	148.962264
"1382109"	241.084324	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H-2H2O"	-35.012676
"1398151"	259.0943	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H-H2O"	-17.0027
"294431"	553.201276	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+H"	1.007276
"684664"	829.298276	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+H"	1.007276
"1361011"	277.104276	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H"	1.007276
"134995"	277.104276	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+2H"	2.014552
"574557"	415.152776	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+2H"	2.014552
"1046634"	139.055776	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2H"	2.014552
"213443"	185.071942666667	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+3H"	3.021828
"646441"	277.104276	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+3H"	3.021828
"1166753"	93.0396093333333	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+3H"	3.021828
"436592"	570.227823	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+NH4"	18.033823
"797589"	846.324823	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+NH4"	18.033823
"1690639"	294.130823	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+NH4"	18.033823
"337823"	285.6175495	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+H+NH4"	19.041099
"725870"	423.6660495	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+H+NH4"	19.041099
"1481880"	147.5690495	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H+NH4"	19.041099
"400559"	575.183218	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+Na"	22.989218
"759366"	851.280218	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+Na"	22.989218
"1607462"	299.086218	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Na"	22.989218
"316772"	288.095247	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+H+Na"	23.996494
"709310"	426.143747	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+H+Na"	23.996494
"1462280"	150.046747	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H+Na"	23.996494
"1054435"	100.366923333333	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2H+Na"	25.00377
"1257937"	309.130486	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+CH3OH+H"	33.033486
"378695"	591.157158	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+K"	38.963158
"741143"	867.254158	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+K"	38.963158
"1547953"	315.060158	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+K"	38.963158
"305129"	296.082217	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+H+K"	39.970434
"704115"	434.130717	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+H+K"	39.970434
"1453558"	158.033717	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H+K"	39.970434
"242163"	594.227826	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+ACN+H"	42.033826
"1222168"	318.130826	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+ACN+H"	42.033826
"1205321"	159.569051	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+ACN+2H"	43.041102
"197100"	597.16516	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+2Na-H"	44.97116
"633742"	873.26216	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+2Na-H"	44.97116
"1141259"	321.06816	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2Na-H"	44.97116
"182361"	299.086218	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+2Na"	45.978436
"619005"	437.134718	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+2Na"	45.978436
"1123241"	161.037718	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2Na"	45.978436
"1403116"	107.694237333333	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H+2Na"	46.985712
"1432316"	323.109746	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H+HCOOH"	47.012746
"226387"	304.11924	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+3H2O+2H"	56.04448
"1515541"	337.16179	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+IsoProp+H"	61.06479
"415228"	307.073188	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+Na+K"	61.952376
"772578"	445.121688	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+Na+K"	61.952376
"1669277"	169.024688	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Na+K"	61.952376
"254705"	616.209768	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+ACN+Na"	64.015768
"1237256"	340.112768	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+ACN+Na"	64.015768
"1717394"	340.136293	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+NH4+HCOOH"	64.039293
"1191509"	115.021551333333	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+3Na"	68.967654
"1663587"	345.091688	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Na+HCOOH"	68.994688
"170082"	629.11304	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+2K-H"	76.91904
"610735"	905.21004	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+2K-H"	76.91904
"1094153"	353.01604	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2K-H"	76.91904
"149146"	315.060158	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"2M+2K"	77.926316
"591988"	453.108658	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"3M+2K"	77.926316
"1074313"	177.011658	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2K"	77.926316
"1109709"	355.030592	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2K+H"	78.933592
"1342813"	355.118207	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+DMSO+H"	79.021207
"1013530"	359.157376	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2ACN+H"	83.060376
"1527280"	360.151008	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+IsoProp+Na+H"	84.054008
"989980"	180.082326	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+2ACN+2H"	84.067652
"1590418"	361.065628	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+K+HCOOH"	84.968628
"1419359"	391.097138	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+H+CF3COOH"	115.000138
"1154021"	200.595601	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+3ACN+2H"	125.094202
"1711732"	408.123685	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+NH4+CF3COOH"	132.026685
"1644700"	413.07908	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+Na+CF3COOH"	136.98208
"1582537"	429.05302	"C14549"	"Triphenylsilanol;Triphenylhydroxysilane"	"C18H16OSi"	"276.097"	"M+K+CF3COOH"	152.95602
"801475"	220.1827	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M"	0
"983151"	201.16431	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"71396"	145.781190666667	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"507676"	219.175424	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"889851"	72.3869573333333	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"1136"	219.175424	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"440821"	329.266774	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"818496"	109.084074	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"79217"	439.358124	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"519385"	659.540824	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"896822"	219.175424	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"49132"	456.384671	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"488450"	676.567371	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"871611"	236.201971	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"32825"	461.340066	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"475789"	681.522766	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"855779"	241.157366	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1629687"	241.157366	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"108405"	237.163763	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"549756"	347.255113	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"941846"	127.072413	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"279672"	475.334802	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"675258"	695.517502	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1283773"	255.152102	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"24141"	477.314006	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"461517"	697.496706	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"839320"	257.131306	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1561712"	257.131306	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"945584"	265.180894	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"367813"	485.363601	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"352790"	499.379251	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1502717"	279.196551	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"965885"	287.162851	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"122082"	255.152102	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"560914"	365.243452	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1034819"	145.060752	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1254396"	299.101585	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1318299"	301.157572	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1335070"	323.139529	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"922475"	333.168286	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1302468"	369.144964	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1381734"	185.170024	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1397408"	203.18	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"294541"	441.372676	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"684774"	661.555376	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1360028"	221.189976	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"135107"	221.189976	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"581033"	331.281326	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1051121"	111.098626	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"213555"	147.795742666667	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"653114"	221.189976	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1171238"	74.4015093333333	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"432328"	458.399223	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"794417"	678.581923	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1687468"	238.216523	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"336840"	229.7032495	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"727075"	339.7945995	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1483085"	119.6118995	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"401764"	463.354618	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"767131"	683.537318	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1606482"	243.171918	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"318707"	232.180947	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"708572"	342.272297	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1464213"	122.089597	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1057099"	81.7288233333333	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1260964"	253.216186	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"378445"	479.328558	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"741260"	699.511258	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1550249"	259.145858	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"306332"	240.167917	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"703132"	350.259267	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1454762"	130.076567	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"247742"	482.399226	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1221910"	262.216526	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1203244"	131.611901	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"201220"	485.33656	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"636770"	705.51926	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1143192"	265.15386	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"182472"	243.171918	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"625314"	353.263268	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1126997"	133.080568	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1401769"	89.0561373333333	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1434616"	267.195446	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"229777"	248.20494	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1513466"	281.24749	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"413153"	251.158888	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"772082"	361.250238	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1671575"	141.067538	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"258095"	504.381168	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1237366"	284.198468	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1721879"	284.221993	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1189798"	96.3834513333333	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1660422"	289.177388	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"168374"	517.28444	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"610847"	737.46714	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1094263"	297.10174	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"151445"	259.145858	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"593195"	369.237208	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1072238"	149.054508	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1112008"	299.116292	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1342924"	299.203907	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1011453"	303.243076	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1524590"	304.236708	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"990436"	152.125176	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1587979"	305.151328	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1414284"	335.182838	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1149757"	172.638451	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1699310"	352.209385	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1638248"	357.16478	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1582647"	373.13872	"C14550"	"4-n-Nonylphenol;4-Nonylphenol;p-Nonylphenol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"802074"	282.162	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M"	0
"979981"	263.14361	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-H2O-H"	-19.01839
"73692"	187.100724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M-3H"	-3.021828
"511066"	281.154724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M-3H"	-3.021828
"894334"	93.046724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-3H"	-3.021828
"3431"	281.154724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M-2H"	-2.014552
"441898"	422.235724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M-2H"	-2.014552
"819704"	140.073724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-2H"	-2.014552
"80059"	563.316724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M-H"	-1.007276
"519742"	845.478724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M-H"	-1.007276
"896689"	281.154724	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-H"	-1.007276
"49245"	580.343271	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M-2H+NH4"	16.019271
"488802"	862.505271	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M-2H+NH4"	16.019271
"874637"	298.181271	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-2H+NH4"	16.019271
"32935"	585.298666	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M-2H+Na"	20.974666
"474806"	867.460666	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M-2H+Na"	20.974666
"856981"	303.136666	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-2H+Na"	20.974666
"1632715"	303.136666	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Na-2H"	20.974666
"106327"	299.143063	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M-H+Cl"	33.962126
"549168"	440.224063	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M-H+Cl"	33.962126
"941591"	158.062063	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-H+Cl"	33.962126
"282173"	599.293402	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+Cl"	34.969402
"670379"	881.455402	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+Cl"	34.969402
"1283883"	317.131402	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Cl"	34.969402
"27531"	601.272606	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M-2H+K"	36.948606
"461627"	883.434606	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M-2H+K"	36.948606
"840523"	319.110606	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-2H+K"	36.948606
"1561822"	319.110606	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+K-2H"	36.948606
"945331"	327.160194	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-H+HCOOH"	44.998194
"370109"	609.322201	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+HCOOH-H"	44.998201
"355086"	623.337851	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+Hac-H"	59.013851
"1502826"	341.175851	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Hac-H"	59.013851
"967087"	349.142151	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-H+NaCOOH"	66.980151
"121829"	317.131402	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+2Cl"	69.938804
"561755"	458.212402	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+2Cl"	69.938804
"1032013"	176.050402	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2Cl"	69.938804
"1254871"	361.080885	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Br"	78.918885
"1319144"	363.136872	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Cl+HCOOH"	80.974872
"1335564"	385.118829	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Cl+NaCOOH"	102.956829
"922586"	395.147586	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M-H+CF3COOH"	112.985586
"1302578"	431.124264	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Cl+CF3COOH"	148.962264
"1379657"	247.149324	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H-2H2O"	-35.012676
"1396056"	265.1593	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H-H2O"	-17.0027
"294651"	565.331276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+H"	1.007276
"685978"	847.493276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+H"	1.007276
"1362326"	283.169276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H"	1.007276
"139592"	283.169276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+2H"	2.014552
"575873"	424.250276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+2H"	2.014552
"1051233"	142.088276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2H"	2.014552
"214759"	189.115276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+3H"	3.021828
"654317"	283.169276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+3H"	3.021828
"1169161"	95.061276	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+3H"	3.021828
"431345"	582.357823	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+NH4"	18.033823
"794527"	864.519823	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+NH4"	18.033823
"1685026"	300.195823	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+NH4"	18.033823
"338044"	291.6825495	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+H+NH4"	19.041099
"727549"	432.7635495	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+H+NH4"	19.041099
"1483195"	150.6015495	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H+NH4"	19.041099
"401874"	587.313218	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+Na"	22.989218
"763961"	869.475218	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+Na"	22.989218
"1606592"	305.151218	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Na"	22.989218
"318817"	294.160247	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+H+Na"	23.996494
"708683"	435.241247	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+H+Na"	23.996494
"1463231"	153.079247	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H+Na"	23.996494
"1057208"	102.38859	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2H+Na"	25.00377
"1261074"	315.195486	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+CH3OH+H"	33.033486
"379282"	603.287158	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+K"	38.963158
"741006"	885.449158	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+K"	38.963158
"1549266"	321.125158	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+K"	38.963158
"305352"	302.147217	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+H+K"	39.970434
"699962"	443.228217	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+H+K"	39.970434
"1452686"	161.066217	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H+K"	39.970434
"249311"	606.357826	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+ACN+H"	42.033826
"1221291"	324.195826	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+ACN+H"	42.033826
"1205543"	162.601551	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+ACN+2H"	43.041102
"200237"	609.29516	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+2Na-H"	44.97116
"636880"	891.45716	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+2Na-H"	44.97116
"1140386"	327.13316	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2Na-H"	44.97116
"181489"	305.151218	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+2Na"	45.978436
"622873"	446.232218	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+2Na"	45.978436
"1126377"	164.070218	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2Na"	45.978436
"1403703"	109.715904	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H+2Na"	46.985712
"1431688"	329.174746	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H+HCOOH"	47.012746
"227700"	310.18424	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+3H2O+2H"	56.04448
"1512482"	343.22679	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+IsoProp+H"	61.06479
"413263"	313.138188	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+Na+K"	61.952376
"771706"	454.219188	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+Na+K"	61.952376
"1671685"	172.057188	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Na+K"	61.952376
"258205"	628.339768	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+ACN+Na"	64.015768
"1236382"	346.177768	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+ACN+Na"	64.015768
"1720895"	346.201293	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+NH4+HCOOH"	64.039293
"1191365"	117.043218	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+3Na"	68.967654
"1662353"	351.156688	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Na+HCOOH"	68.994688
"169941"	641.24304	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+2K-H"	76.91904
"610593"	923.40504	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+2K-H"	76.91904
"1095104"	359.08104	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2K-H"	76.91904
"152649"	321.125158	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"2M+2K"	77.926316
"593305"	462.206158	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"3M+2K"	77.926316
"1075629"	180.044158	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2K"	77.926316
"1112482"	361.095592	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2K+H"	78.933592
"1346314"	361.183207	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+DMSO+H"	79.021207
"1014844"	365.222376	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2ACN+H"	83.060376
"1525547"	366.216008	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+IsoProp+Na+H"	84.054008
"991765"	183.114826	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+2ACN+2H"	84.067652
"1588455"	367.130628	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+K+HCOOH"	84.968628
"1416300"	397.162138	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+H+CF3COOH"	115.000138
"1148776"	203.628101	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+3ACN+2H"	125.094202
"1698327"	414.188685	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+NH4+CF3COOH"	132.026685
"1634709"	419.14408	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+Na+CF3COOH"	136.98208
"1579477"	435.11802	"C14551"	"Diethylstilbestrol monomethyl ether;Mestilbol"	"C19H22O2"	"282.162"	"M+K+CF3COOH"	152.95602
"804372"	304.2038	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M"	0
"986652"	285.18541	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"75989"	201.795257333333	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"510083"	303.196524	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"894080"	100.393990666667	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"3906"	303.196524	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"441282"	455.298424	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"818354"	151.094624	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"79440"	607.400324	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"519001"	911.604124	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"896800"	303.196524	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"50448"	624.426871	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"487941"	928.630671	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"874018"	320.223071	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"33169"	629.382266	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"479290"	933.586066	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"857092"	325.178466	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1632096"	325.178466	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"103885"	321.184863	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"549867"	473.286763	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"940608"	169.082963	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"275880"	643.377002	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"671582"	947.580802	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1283992"	339.173202	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"25454"	645.356206	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"462830"	949.560006	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"842820"	341.152406	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1564119"	341.152406	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"946535"	349.201994	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"372406"	653.405801	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"355196"	667.421451	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1502936"	363.217651	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"967197"	371.183951	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"118292"	339.173202	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"561497"	491.275102	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1032122"	187.071302	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1254615"	383.122685	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1317794"	385.178672	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1335289"	407.160629	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"920509"	417.189386	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1301228"	453.166064	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1381954"	269.191124	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1396166"	287.2011	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"294761"	609.414876	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"684996"	913.618676	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1362438"	305.211076	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"135328"	305.211076	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"573796"	457.312976	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1044782"	153.109176	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"217056"	203.809809333333	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"652242"	305.211076	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1169271"	102.408542666667	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"431451"	626.441423	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"795729"	930.645223	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1689874"	322.237623	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"333414"	313.7243495	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"726200"	465.8262495	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1485492"	161.6224495	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"401984"	631.396818	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"760790"	935.600618	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1605850"	327.193018	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"318926"	316.202047	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"709886"	468.303947	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1463339"	164.100147	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1056223"	109.735856666667	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1257901"	337.237286	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"379392"	647.370758	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"740387"	951.574558	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1548283"	343.166958	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"305462"	324.189017	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"700072"	476.290917	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1451704"	172.087117	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"248329"	650.441426	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1220672"	346.237626	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1208205"	173.622451	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"195243"	653.37876	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"635896"	957.58256	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1141955"	349.17496	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"184881"	327.193018	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"624806"	479.294918	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1129039"	175.091118	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1402720"	117.063170666667	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1434836"	351.216546	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"232184"	332.22604	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1512956"	365.26859	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"412280"	335.179988	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"772180"	487.281888	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1671795"	183.078088	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"258315"	672.423368	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1236492"	368.219568	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1721005"	368.243093	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1193056"	124.390484666667	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1663920"	373.198488	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"170782"	685.32664	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"611796"	989.53044	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1095214"	381.12284	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"153487"	343.166958	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"593415"	495.268858	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1075739"	191.065058	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1111863"	383.137392	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1346424"	383.225007	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1014954"	387.264176	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1524486"	388.257808	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"991266"	194.135726	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1588686"	389.172428	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1416411"	419.203938	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1149978"	214.649001	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1701717"	436.230485	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1634820"	441.18588	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1579587"	457.15982	"C14552"	"11-Ketoetiocholanolone;3alpha-Hydroxy-5beta-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"803390"	306.2195	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M"	0
"988828"	287.20111	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-H2O-H"	-19.01839
"75006"	203.139057333333	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M-3H"	-3.021828
"513473"	305.212224	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M-3H"	-3.021828
"894433"	101.065890666667	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-3H"	-3.021828
"737"	305.212224	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M-2H"	-2.014552
"442853"	458.321974	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M-2H"	-2.014552
"817449"	152.102474	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-2H"	-2.014552
"79061"	611.431724	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M-H"	-1.007276
"523486"	917.651224	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M-H"	-1.007276
"898003"	305.212224	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-H"	-1.007276
"47518"	628.458271	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M-2H+NH4"	16.019271
"489757"	934.677771	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M-2H+NH4"	16.019271
"874493"	322.238771	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-2H+NH4"	16.019271
"38746"	633.413666	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M-2H+Na"	20.974666
"479400"	939.633166	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M-2H+Na"	20.974666
"856109"	327.194166	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-2H+Na"	20.974666
"1629653"	327.194166	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Na-2H"	20.974666
"103995"	323.200563	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M-H+Cl"	33.962126
"546471"	476.310313	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M-H+Cl"	33.962126
"941083"	170.090813	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-H+Cl"	33.962126
"281341"	647.408402	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+Cl"	34.969402
"672787"	953.627902	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+Cl"	34.969402
"1281915"	341.188902	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Cl"	34.969402
"21190"	649.387606	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M-2H+K"	36.948606
"465127"	955.607106	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M-2H+K"	36.948606
"841837"	343.168106	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-2H+K"	36.948606
"1562042"	343.168106	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+K-2H"	36.948606
"947739"	351.217694	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-H+HCOOH"	44.998194
"372516"	657.437201	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+HCOOH-H"	44.998201
"355306"	671.452851	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+Hac-H"	59.013851
"1504139"	365.233351	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Hac-H"	59.013851
"967307"	373.199651	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-H+NaCOOH"	66.980151
"118402"	341.188902	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+2Cl"	69.938804
"559055"	494.298652	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+2Cl"	69.938804
"1034418"	188.079152	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2Cl"	69.938804
"1253268"	385.138385	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Br"	78.918885
"1318997"	387.194372	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Cl+HCOOH"	80.974872
"1335036"	409.176329	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Cl+NaCOOH"	102.956829
"923535"	419.205086	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M-H+CF3COOH"	112.985586
"1303162"	455.181764	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Cl+CF3COOH"	148.962264
"1380970"	271.206824	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H-2H2O"	-35.012676
"1395183"	289.2168	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H-H2O"	-17.0027
"295964"	613.446276	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+H"	1.007276
"684013"	919.665776	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+H"	1.007276
"1362548"	307.226776	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H"	1.007276
"132158"	307.226776	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+2H"	2.014552
"570626"	460.336526	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+2H"	2.014552
"1041612"	154.117026	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2H"	2.014552
"216073"	205.153609333333	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+3H"	3.021828
"651258"	307.226776	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+3H"	3.021828
"1170474"	103.080442666667	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+3H"	3.021828
"431561"	630.472823	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+NH4"	18.033823
"798755"	936.692323	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+NH4"	18.033823
"1692169"	324.253323	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+NH4"	18.033823
"336075"	315.7400495	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+H+NH4"	19.041099
"724123"	468.8497995	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+H+NH4"	19.041099
"1482319"	162.6302995	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H+NH4"	19.041099
"399907"	635.428218	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+Na"	22.989218
"759807"	941.647718	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+Na"	22.989218
"1605718"	329.208718	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Na"	22.989218
"317943"	318.217747	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+H+Na"	23.996494
"708176"	471.327497	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+H+Na"	23.996494
"1465272"	165.107997	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H+Na"	23.996494
"1055240"	110.407756666667	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2H+Na"	25.00377
"1258012"	339.252986	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+CH3OH+H"	33.033486
"382054"	651.402158	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+K"	38.963158
"743049"	957.621658	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+K"	38.963158
"1547300"	345.182658	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+K"	38.963158
"305572"	326.204717	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+H+K"	39.970434
"700182"	479.314467	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+H+K"	39.970434
"1451814"	173.094967	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H+K"	39.970434
"249531"	654.472826	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+ACN+H"	42.033826
"1219325"	348.253326	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+ACN+H"	42.033826
"1206857"	174.630301	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+ACN+2H"	43.041102
"197540"	657.41016	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+2Na-H"	44.97116
"639286"	963.62966	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+2Na-H"	44.97116
"1143888"	351.19066	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2Na-H"	44.97116
"184991"	329.208718	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+2Na"	45.978436
"624916"	482.318468	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+2Na"	45.978436
"1130242"	176.098968	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2Na"	45.978436
"1405016"	117.735070666667	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H+2Na"	46.985712
"1436040"	353.232246	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H+HCOOH"	47.012746
"233025"	334.24174	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+3H2O+2H"	56.04448
"1512702"	367.28429	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+IsoProp+H"	61.06479
"409838"	337.195688	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+Na+K"	61.952376
"772289"	490.305438	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+Na+K"	61.952376
"1671905"	184.085938	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Na+K"	61.952376
"258425"	676.454768	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+ACN+Na"	64.015768
"1230040"	370.235268	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+ACN+Na"	64.015768
"1718927"	370.258793	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+NH4+HCOOH"	64.039293
"1193691"	125.062384666667	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+3Na"	68.967654
"1661474"	375.214188	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Na+HCOOH"	68.994688
"169795"	689.35804	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+2K-H"	76.91904
"610814"	995.57754	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+2K-H"	76.91904
"1095325"	383.13854	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2K-H"	76.91904
"152140"	345.182658	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"2M+2K"	77.926316
"593161"	498.292408	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"3M+2K"	77.926316
"1075849"	192.072908	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2K"	77.926316
"1111609"	385.153092	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2K+H"	78.933592
"1346534"	385.240707	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+DMSO+H"	79.021207
"1013970"	389.279876	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2ACN+H"	83.060376
"1526627"	390.273508	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+IsoProp+Na+H"	84.054008
"993078"	195.143576	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+2ACN+2H"	84.067652
"1589768"	391.188128	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+K+HCOOH"	84.968628
"1415547"	421.219638	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+H+CF3COOH"	115.000138
"1152276"	215.656851	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+3ACN+2H"	125.094202
"1698547"	438.246185	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+NH4+CF3COOH"	132.026685
"1634930"	443.20158	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+Na+CF3COOH"	136.98208
"1579697"	459.17552	"C14553"	"3alpha11beta-Dihydroxy-5beta-androstane-17-one;11beta-Hydroxyetiocholanolone"	"C19H30O3"	"306.2195"	"M+K+CF3COOH"	152.95602
"803137"	372.2301	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M"	0
"978130"	353.21171	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-H2O-H"	-19.01839
"69652"	247.146124	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M-3H"	-3.021828
"508117"	371.222824	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M-3H"	-3.021828
"884103"	123.069424	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-3H"	-3.021828
"3406"	371.222824	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M-2H"	-2.014552
"444059"	557.337874	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M-2H"	-2.014552
"819674"	185.107774	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-2H"	-2.014552
"79665"	743.452924	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M-H"	-1.007276
"526884"	1115.683024	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M-H"	-1.007276
"905778"	371.222824	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-H"	-1.007276
"58699"	760.479471	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M-2H+NH4"	16.019271
"501301"	1132.709571	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M-2H+NH4"	16.019271
"872053"	388.249371	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-2H+NH4"	16.019271
"41046"	765.434866	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M-2H+Na"	20.974666
"481699"	1137.664966	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M-2H+Na"	20.974666
"860595"	393.204766	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-2H+Na"	20.974666
"1630857"	393.204766	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Na-2H"	20.974666
"109212"	389.211163	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M-H+Cl"	33.962126
"547798"	575.326213	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M-H+Cl"	33.962126
"940583"	203.096113	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-H+Cl"	33.962126
"277199"	779.429602	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+Cl"	34.969402
"672781"	1151.659702	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+Cl"	34.969402
"1276562"	407.199502	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Cl"	34.969402
"18751"	781.408806	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M-2H+K"	36.948606
"460865"	1153.638906	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M-2H+K"	36.948606
"836478"	409.178706	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-2H+K"	36.948606
"1559965"	409.178706	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+K-2H"	36.948606
"944932"	417.228294	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-H+HCOOH"	44.998194
"363511"	789.458401	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+HCOOH-H"	44.998201
"347394"	803.474051	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+Hac-H"	59.013851
"1496591"	431.243951	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Hac-H"	59.013851
"966319"	439.210251	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-H+NaCOOH"	66.980151
"117414"	407.199502	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+2Cl"	69.938804
"558069"	593.314552	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+2Cl"	69.938804
"1034523"	221.084452	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2Cl"	69.938804
"1255562"	451.148985	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Br"	78.918885
"1319758"	453.204972	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Cl+HCOOH"	80.974872
"1330768"	475.186929	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Cl+NaCOOH"	102.956829
"924015"	485.215686	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M-H+CF3COOH"	112.985586
"1303973"	521.192364	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Cl+CF3COOH"	148.962264
"1372332"	337.217424	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H-2H2O"	-35.012676
"1385454"	355.2274	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H-H2O"	-17.0027
"285142"	745.467476	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+H"	1.007276
"681937"	1117.697576	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+H"	1.007276
"1364845"	373.237376	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H"	1.007276
"135546"	373.237376	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+2H"	2.014552
"571824"	559.352426	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+2H"	2.014552
"1043905"	187.122326	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2H"	2.014552
"211809"	249.160676	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+3H"	3.021828
"653558"	373.237376	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+3H"	3.021828
"1174964"	125.083976	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+3H"	3.021828
"430581"	762.494023	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+NH4"	18.033823
"788297"	1134.724123	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+NH4"	18.033823
"1684991"	390.263923	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+NH4"	18.033823
"331441"	381.7506495	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+H+NH4"	19.041099
"724957"	567.8656995	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+H+NH4"	19.041099
"1477926"	195.6355995	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H+NH4"	19.041099
"396003"	767.449418	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+Na"	22.989218
"756999"	1139.679518	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+Na"	22.989218
"1605831"	395.219318	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Na"	22.989218
"316230"	384.228347	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+H+Na"	23.996494
"708646"	570.343397	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+H+Na"	23.996494
"1467576"	198.113297	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H+Na"	23.996494
"1054742"	132.41129	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2H+Na"	25.00377
"1257761"	405.263586	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+CH3OH+H"	33.033486
"378886"	783.423358	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+K"	38.963158
"752289"	1155.653458	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+K"	38.963158
"1549601"	411.193258	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+K"	38.963158
"309694"	392.215317	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+H+K"	39.970434
"706708"	578.330367	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+H+K"	39.970434
"1461054"	206.100267	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H+K"	39.970434
"250623"	786.494026	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+ACN+H"	42.033826
"1224671"	414.263926	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+ACN+H"	42.033826
"1205144"	207.635601	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+ACN+2H"	43.041102
"197650"	789.43136	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+2Na-H"	44.97116
"640489"	1161.66146	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+2Na-H"	44.97116
"1141809"	417.20126	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2Na-H"	44.97116
"181819"	395.219318	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+2Na"	45.978436
"618099"	581.334368	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+2Na"	45.978436
"1125977"	209.104268	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2Na"	45.978436
"1410593"	139.738604	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H+2Na"	46.985712
"1443803"	419.242846	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H+HCOOH"	47.012746
"225844"	400.25234	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+3H2O+2H"	56.04448
"1513908"	433.29489	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+IsoProp+H"	61.06479
"417971"	403.206288	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+Na+K"	61.952376
"782247"	589.321338	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+Na+K"	61.952376
"1675297"	217.091238	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Na+K"	61.952376
"262914"	808.475968	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+ACN+Na"	64.015768
"1234529"	436.245868	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+ACN+Na"	64.015768
"1725979"	436.269393	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+NH4+HCOOH"	64.039293
"1188416"	147.065918	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+3Na"	68.967654
"1660494"	441.224788	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Na+HCOOH"	68.994688
"166262"	821.37924	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+2K-H"	76.91904
"607281"	1193.60934	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+2K-H"	76.91904
"1095438"	449.14914	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2K-H"	76.91904
"153714"	411.193258	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"2M+2K"	77.926316
"590720"	597.308308	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"3M+2K"	77.926316
"1075597"	225.078208	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2K"	77.926316
"1103704"	451.163692	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2K+H"	78.933592
"1343732"	451.251307	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+DMSO+H"	79.021207
"1006428"	455.290476	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2ACN+H"	83.060376
"1527831"	456.284108	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+IsoProp+Na+H"	84.054008
"992095"	228.148876	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+2ACN+2H"	84.067652
"1589876"	457.198728	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+K+HCOOH"	84.968628
"1415539"	487.230238	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+H+CF3COOH"	115.000138
"1150203"	248.662151	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+3ACN+2H"	125.094202
"1699026"	504.256785	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+NH4+CF3COOH"	132.026685
"1635768"	509.21218	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+Na+CF3COOH"	136.98208
"1579807"	525.18612	"C14554"	"Deoxycorticosterone acetate;21-Acetoxypregn-4-ene-320-dione;Percotol"	"C23H32O4"	"372.2301"	"M+K+CF3COOH"	152.95602
"803974"	318.2195	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M"	0
"983702"	299.20111	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"63808"	211.139057333333	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"504582"	317.212224	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"883849"	105.065890666667	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"2421"	317.212224	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"443076"	476.321974	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"817594"	158.102474	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"79286"	635.431724	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"523713"	953.651224	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"900421"	317.212224	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"59902"	652.458271	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"501168"	970.677771	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"872163"	334.238771	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"41156"	657.413666	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"482902"	975.633166	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"860705"	339.194166	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1630967"	339.194166	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"109199"	335.200563	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"548759"	494.310313	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"940935"	176.090813	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"278402"	671.408402	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"672648"	989.627902	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1274850"	353.188902	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"18136"	673.387606	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"458790"	991.607106	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"836589"	355.168106	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1556796"	355.168106	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"944313"	363.217694	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"363987"	681.437201	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"348230"	695.452851	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1494879"	377.233351	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"963150"	385.199651	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"116431"	353.188902	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"555993"	512.298652	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1036092"	194.079152	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1256891"	397.138385	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1319704"	399.194372	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1334158"	421.176329	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"926597"	431.205086	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1303879"	467.181764	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1372442"	283.206824	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1383741"	301.2168	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"285373"	637.446276	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"682047"	955.665776	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1361674"	319.226776	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"135656"	319.226776	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"571934"	478.336526	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1040735"	160.117026	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"208273"	213.153609333333	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"649657"	319.226776	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1168512"	107.080442666667	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"426316"	654.472823	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"789133"	972.692323	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1682789"	336.253323	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"330451"	327.7400495	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"723242"	486.8497995	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1477304"	168.6302995	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"393557"	659.428218	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"755159"	977.647718	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1605212"	341.208718	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"315973"	330.217747	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"708511"	489.327497	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1466593"	171.107997	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1053435"	114.407756666667	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1258599"	351.252986	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"377902"	675.402158	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"745467"	993.621658	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1548618"	357.182658	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"309074"	338.204717	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"706492"	497.314467	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1460062"	179.094967	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"250980"	678.472826	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1224654"	360.253326	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1204888"	180.630301	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"197760"	681.41016	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"640599"	999.62966	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1141919"	363.19066	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"184116"	341.208718	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"617116"	500.318468	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1129368"	182.098968	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1411797"	121.735070666667	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1444887"	365.232246	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"227047"	346.24174	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1515111"	379.28429	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"420267"	349.195688	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"781993"	508.305438	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1676500"	190.085938	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"263388"	700.454768	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1236097"	382.235268	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1726089"	382.258793	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1192777"	129.062384666667	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1661333"	387.214188	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"167830"	713.35804	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"606659"	1031.57754	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1095184"	395.13854	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"153822"	357.182658	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"587550"	516.292408	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1078258"	198.072908	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1104907"	397.153092	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1344570"	397.240707	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1006780"	401.279876	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1526119"	402.273508	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"994391"	201.143576	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1588164"	403.188128	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1417107"	433.219638	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1151406"	221.656851	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1698772"	450.246185	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1635879"	455.20158	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1579917"	471.17552	"C14555"	"11alpha17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"807000"	268.0888	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"985999"	249.07041	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"66591"	177.718590666667	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"510525"	267.081524	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"885054"	88.3556573333333	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"5814"	267.081524	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"449747"	401.125924	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"818801"	133.037124	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"83165"	535.170324	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"523825"	803.259124	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"899438"	267.081524	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"54906"	552.196871	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"502504"	820.285671	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"879287"	284.108071	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"46130"	557.152266	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"486305"	825.241066	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"863003"	289.063466	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1630348"	289.063466	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"108944"	285.069863	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"549844"	419.114263	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"941898"	151.025463	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"278512"	571.147002	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"672758"	839.235802	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1284437"	303.058202	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"24808"	573.126206	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"458901"	841.215006	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"836699"	305.037406	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1556908"	305.037406	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"948071"	313.086994	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"363005"	581.175801	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"347252"	595.191451	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1494627"	327.102651	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"969093"	335.068951	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"120552"	303.058202	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"564123"	437.102602	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1035111"	169.013802	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1256879"	347.007685	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1319571"	349.063672	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1332447"	371.045629	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"926424"	381.074386	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1303375"	417.051064	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1371457"	233.076124	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1385673"	251.0861	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"283166"	537.184876	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"678876"	805.273676	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1358504"	269.096076	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"131756"	269.096076	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"568035"	403.140476	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1039020"	135.051676	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"206925"	179.733142666667	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"647944"	269.096076	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1165702"	90.3702093333333	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"429709"	554.211423	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"792890"	822.300223	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1688492"	286.122623	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"331662"	277.6093495	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"722871"	411.6537495	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1477028"	143.5649495	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"393669"	559.166818	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"756489"	827.255618	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1606051"	291.078018	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"318275"	280.087047	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"708868"	414.131447	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1467798"	146.042647	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1056668"	97.6975233333333	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1258343"	301.122286	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"378011"	575.140758	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"745573"	843.229558	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1542158"	307.051958	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"310278"	288.074017	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"703793"	422.118417	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1460820"	154.029617	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"250107"	578.211426	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1223669"	310.122626	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1208159"	155.564951	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"202487"	581.14876	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"642894"	849.23756	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1142030"	313.05996	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"186411"	291.078018	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"626943"	425.122418	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1125104"	157.033618	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1400608"	105.024837333333	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1439648"	315.101546	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"222055"	296.11104	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1511210"	329.15359	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"419284"	299.064988	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"783564"	433.109388	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1675519"	165.020588	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"263133"	600.193368	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1234749"	332.104568	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1727296"	332.128093	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1193943"	112.352151333333	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1663996"	337.083488	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"172073"	613.09664	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"611511"	881.18544	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1097846"	345.00784	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"155759"	307.051958	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"591305"	441.096358	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1072901"	173.007558	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1108296"	347.022392	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1344680"	347.110007	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1007135"	351.149176	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1530241"	352.142808	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"993408"	176.078226	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591190"	353.057428	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1421229"	383.088938	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1150422"	196.591501	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1701069"	400.115485	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1639997"	405.07088	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1580027"	421.04482	"C14556"	"9-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"802007"	268.0888	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"977362"	249.07041	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"73259"	177.718590666667	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"505166"	267.081524	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"885164"	88.3556573333333	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"9204"	267.081524	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"446577"	401.125924	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"818181"	133.037124	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"80722"	535.170324	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"523935"	803.259124	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"898454"	267.081524	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"47724"	552.196871	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"502367"	820.285671	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"879437"	284.108071	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"46770"	557.152266	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"486408"	825.241066	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"863842"	289.063466	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1629365"	289.063466	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"108811"	285.069863	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"545454"	419.114263	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"941886"	151.025463	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"274249"	571.147002	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"672868"	839.235802	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1281267"	303.058202	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"24918"	573.126206	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"461197"	841.215006	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"834013"	305.037406	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1556652"	305.037406	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"947089"	313.086994	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"363115"	581.175801	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"349185"	595.191451	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1494737"	327.102651	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"960454"	335.068951	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"117745"	303.058202	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"564112"	437.102602	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1034855"	169.013802	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1256751"	347.007685	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1319800"	349.063672	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1335435"	371.045629	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"926775"	381.074386	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1303485"	417.051064	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1373755"	233.076124	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1386876"	251.0861	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"286926"	537.184876	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"678986"	805.273676	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1356427"	269.096076	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"128950"	269.096076	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"569969"	403.140476	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1039494"	135.051676	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"208127"	179.733142666667	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"648054"	269.096076	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1165812"	90.3702093333333	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"427630"	554.211423	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"791177"	822.300223	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1689695"	286.122623	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"330314"	277.6093495	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"723461"	411.6537495	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1479108"	143.5649495	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"393780"	559.166818	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"756600"	827.255618	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1608349"	291.078018	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"320573"	280.087047	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"711898"	414.131447	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1465722"	146.042647	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1061154"	97.6975233333333	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1258455"	301.122286	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"382500"	575.140758	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"740214"	843.229558	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1541296"	307.051958	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"313305"	288.074017	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"701716"	422.118417	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1460889"	154.029617	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"249850"	578.211426	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1223049"	310.122626	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1208876"	155.564951	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"201868"	581.14876	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"643819"	849.23756	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1144326"	313.05996	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"188310"	291.078018	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"628029"	425.122418	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1127400"	157.033618	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1408735"	105.024837333333	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1441945"	315.101546	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"231640"	296.11104	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1509862"	329.15359	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"419394"	299.064988	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"783673"	433.109388	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1676722"	165.020588	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"262150"	600.193368	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1232672"	332.104568	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1725947"	332.128093	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1192392"	112.352151333333	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1664105"	337.083488	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"169872"	613.09664	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"610529"	881.18544	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1095768"	345.00784	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"156473"	307.051958	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"588498"	441.096358	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1079570"	173.007558	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1108404"	347.022392	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1341509"	347.110007	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1006274"	351.149176	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1525979"	352.142808	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"992428"	176.078226	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591302"	353.057428	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1421339"	383.088938	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1149439"	196.591501	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1700086"	400.115485	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1639014"	405.07088	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1580137"	421.04482	"C14557"	"8-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"802117"	268.0888	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"977472"	249.07041	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"72276"	177.718590666667	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"505276"	267.081524	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"888543"	88.3556573333333	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"6034"	267.081524	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"447780"	401.125924	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"818655"	133.037124	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"80832"	535.170324	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"526231"	803.259124	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"899657"	267.081524	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"47750"	552.196871	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"501868"	820.285671	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"879830"	284.108071	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"46112"	557.152266	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"485306"	825.241066	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"862860"	289.063466	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1630568"	289.063466	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"108679"	285.069863	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"545563"	419.114263	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"941997"	151.025463	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"274359"	571.147002	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"671885"	839.235802	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1285750"	303.058202	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"21748"	573.126206	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"460214"	841.215006	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"834734"	305.037406	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1556399"	305.037406	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"947198"	313.086994	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"362981"	581.175801	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"348202"	595.191451	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1492801"	327.102651	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"960200"	335.068951	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"114575"	303.058202	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"560698"	437.102602	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1036710"	169.013802	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1257018"	347.007685	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1319545"	349.063672	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1333396"	371.045629	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"925549"	381.074386	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1303837"	417.051064	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1376053"	233.076124	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1384802"	251.0861	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"285215"	537.184876	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"676544"	805.273676	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1353622"	269.096076	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"127603"	269.096076	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"567162"	403.140476	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1039602"	135.051676	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"207872"	179.733142666667	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"649987"	269.096076	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1164828"	90.3702093333333	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"427376"	554.211423	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"790922"	822.300223	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1689441"	286.122623	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"331883"	277.6093495	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"723126"	411.6537495	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1477351"	143.5649495	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"394254"	559.166818	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"754758"	827.255618	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1603466"	291.078018	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"316303"	280.087047	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"708724"	414.131447	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1464004"	146.042647	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1055428"	97.6975233333333	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1258925"	301.122286	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"378596"	575.140758	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"740688"	843.229558	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1541283"	307.051958	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"314024"	288.074017	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"703648"	422.118417	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1460025"	154.029617	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"250811"	578.211426	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1216961"	310.122626	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1204125"	155.564951	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"202344"	581.14876	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"642875"	849.23756	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1143343"	313.05996	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"187853"	291.078018	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"627041"	425.122418	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1124230"	157.033618	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1411031"	105.024837333333	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1439868"	315.101546	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"232722"	296.11104	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1511427"	329.15359	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"410750"	299.064988	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"779405"	433.109388	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1675738"	165.020588	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"262260"	600.193368	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1232782"	332.104568	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1725694"	332.128093	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1192139"	112.352151333333	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1664458"	337.083488	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"171078"	613.09664	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"612385"	881.18544	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1097336"	345.00784	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"156462"	307.051958	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"591888"	441.096358	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1079681"	173.007558	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1108514"	347.022392	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1341619"	347.110007	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1006871"	351.149176	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1527183"	352.142808	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"994724"	176.078226	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591412"	353.057428	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1421449"	383.088938	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1150642"	196.591501	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1702382"	400.115485	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1639124"	405.07088	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1580247"	421.04482	"C14558"	"7-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"804049"	268.0888	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"979768"	249.07041	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"75666"	177.718590666667	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"509759"	267.081524	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"887560"	88.3556573333333	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"2857"	267.081524	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"446797"	401.125924	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"821681"	133.037124	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"85681"	535.170324	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"523058"	803.259124	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"899765"	267.081524	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"49037"	552.196871	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"502471"	820.285671	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"879425"	284.108071	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"46914"	557.152266	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"486391"	825.241066	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"863334"	289.063466	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1631772"	289.063466	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"108428"	285.069863	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"544581"	419.114263	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"942231"	151.025463	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"274469"	571.147002	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"673088"	839.235802	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1284766"	303.058202	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"18577"	573.126206	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"461418"	841.215006	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"843594"	305.037406	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1558334"	305.037406	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"951684"	313.086994	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"365524"	581.175801	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"346366"	595.191451	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1492912"	327.102651	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"959578"	335.068951	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"119060"	303.058202	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"562631"	437.102602	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1036533"	169.013802	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1256566"	347.007685	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1319533"	349.063672	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1333870"	371.045629	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"924564"	381.074386	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1300179"	417.051064	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1375070"	233.076124	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1386005"	251.0861	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"285325"	537.184876	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"679569"	805.273676	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1353004"	269.096076	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"127711"	269.096076	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"570552"	403.140476	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1039716"	135.051676	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"208712"	179.733142666667	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"649002"	269.096076	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1168219"	90.3702093333333	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"428214"	554.211423	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"790668"	822.300223	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1688822"	286.122623	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"333090"	277.6093495	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"723154"	411.6537495	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1477990"	143.5649495	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"393635"	559.166818	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"756814"	827.255618	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1604915"	291.078018	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"315684"	280.087047	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"709563"	414.131447	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1464478"	146.042647	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1054810"	97.6975233333333	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1259036"	301.122286	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"382720"	575.140758	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"740431"	843.229558	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1546863"	307.051958	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"312437"	288.074017	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"704122"	422.118417	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1458679"	154.029617	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"250193"	578.211426	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1224245"	310.122626	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1203142"	155.564951	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"200387"	581.14876	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"642744"	849.23756	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1145036"	313.05996	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"188373"	291.078018	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"627156"	425.122418	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1124340"	157.033618	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1411141"	105.024837333333	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1439978"	315.101546	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"232953"	296.11104	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1510445"	329.15359	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"414141"	299.064988	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"779515"	433.109388	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1676941"	165.020588	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"260182"	600.193368	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1231433"	332.104568	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1727256"	332.128093	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1192731"	112.352151333333	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1662501"	337.083488	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"171187"	613.09664	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"610746"	881.18544	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1096715"	345.00784	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"149156"	307.051958	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"591998"	441.096358	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1079790"	173.007558	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1108624"	347.022392	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1341727"	347.110007	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1010262"	351.149176	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1527293"	352.142808	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"994834"	176.078226	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1592616"	353.057428	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1420466"	383.088938	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1149659"	196.591501	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1700306"	400.115485	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1639234"	405.07088	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1583637"	421.04482	"C14559"	"5-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"803066"	268.0888	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"978785"	249.07041	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"72496"	177.718590666667	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"507683"	267.081524	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"887670"	88.3556573333333	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"288"	267.081524	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"450184"	401.125924	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"821791"	133.037124	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"86884"	535.170324	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"522069"	803.259124	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"899510"	267.081524	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"49390"	552.196871	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"501966"	820.285671	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"878923"	284.108071	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"46579"	557.152266	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"486249"	825.241066	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"863447"	289.063466	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1629695"	289.063466	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"109023"	285.069863	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"542504"	419.114263	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"940392"	151.025463	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"280046"	571.147002	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"670281"	839.235802	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1284875"	303.058202	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"18687"	573.126206	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"459341"	841.215006	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"837144"	305.037406	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1560632"	305.037406	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"945232"	313.086994	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"361634"	581.175801	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"347450"	595.191451	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1493112"	327.102651	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"958719"	335.068951	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"115890"	303.058202	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"556544"	437.102602	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1030810"	169.013802	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1253305"	347.007685	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1315023"	349.063672	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1330335"	371.045629	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"921393"	381.074386	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1292634"	417.051064	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1372990"	233.076124	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1385383"	251.0861	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"286893"	537.184876	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"678221"	805.273676	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1352383"	269.096076	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"128553"	269.096076	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"568477"	403.140476	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1039464"	135.051676	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"208457"	179.733142666667	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"649477"	269.096076	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1170153"	90.3702093333333	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"428326"	554.211423	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"790778"	822.300223	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1687471"	286.122623	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"336844"	277.6093495	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"723677"	411.6537495	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1477982"	143.5649495	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"393745"	559.166818	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"755832"	827.255618	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1603687"	291.078018	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"316524"	280.087047	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"708091"	414.131447	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1464955"	146.042647	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1054919"	97.6975233333333	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1259511"	301.122286	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"381737"	575.140758	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"740543"	843.229558	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1548066"	307.051958	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"312184"	288.074017	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"704597"	422.118417	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1459883"	154.029617	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"249937"	578.211426	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1224842"	310.122626	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1205439"	155.564951	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"200497"	581.14876	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"643098"	849.23756	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1144537"	313.05996	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"187708"	291.078018	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"626655"	425.122418	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1130283"	157.033618	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1410887"	105.024837333333	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1440088"	315.101546	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"231970"	296.11104	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1516752"	329.15359	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"412064"	299.064988	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"770993"	433.109388	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1666474"	165.020588	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"257737"	600.193368	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1231908"	332.104568	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1727122"	332.128093	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1191626"	112.352151333333	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1662613"	337.083488	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"169475"	613.09664	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"609034"	881.18544	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1096825"	345.00784	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"150360"	307.051958	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"588828"	441.096358	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1073340"	173.007558	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1102174"	347.022392	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1336123"	347.110007	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1011465"	351.149176	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1525337"	352.142808	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"991664"	176.078226	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1588352"	353.057428	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1418389"	383.088938	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1150863"	196.591501	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1699323"	400.115485	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1640437"	405.07088	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1580467"	421.04482	"C14560"	"4-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"802080"	312.1878	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M"	0
"978895"	293.16941	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-H2O-H"	-19.01839
"69326"	207.117924	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M-3H"	-3.021828
"507793"	311.180524	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M-3H"	-3.021828
"887780"	103.055324	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-3H"	-3.021828
"884"	311.180524	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M-2H"	-2.014552
"447013"	467.274424	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M-2H"	-2.014552
"821898"	155.086624	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-2H"	-2.014552
"83714"	623.368324	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M-H"	-1.007276
"521815"	935.556124	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M-H"	-1.007276
"899985"	311.180524	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-H"	-1.007276
"51081"	640.394871	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M-2H+NH4"	16.019271
"493924"	952.582671	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M-2H+NH4"	16.019271
"879857"	328.207071	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-2H+NH4"	16.019271
"46815"	645.350266	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M-2H+Na"	20.974666
"486481"	957.538066	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M-2H+Na"	20.974666
"864127"	333.162466	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-2H+Na"	20.974666
"1628712"	333.162466	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Na-2H"	20.974666
"109949"	329.168863	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M-H+Cl"	33.962126
"542614"	485.262763	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M-H+Cl"	33.962126
"940502"	173.074963	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-H+Cl"	33.962126
"279063"	659.345002	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+Cl"	34.969402
"670391"	971.532802	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+Cl"	34.969402
"1281705"	347.157202	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Cl"	34.969402
"25354"	661.324206	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M-2H+K"	36.948606
"464918"	973.512006	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M-2H+K"	36.948606
"834338"	349.136406	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-2H+K"	36.948606
"1560741"	349.136406	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+K-2H"	36.948606
"945342"	357.185994	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-H+HCOOH"	44.998194
"361807"	669.373801	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+HCOOH-H"	44.998201
"346820"	683.389451	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+Hac-H"	59.013851
"1493100"	371.201651	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Hac-H"	59.013851
"958942"	379.167951	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-H+NaCOOH"	66.980151
"110773"	347.157202	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+2Cl"	69.938804
"555559"	503.251102	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+2Cl"	69.938804
"1027637"	191.063302	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2Cl"	69.938804
"1250133"	391.106685	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Br"	78.918885
"1316226"	393.162672	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Cl+HCOOH"	80.974872
"1324977"	415.144629	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Cl+NaCOOH"	102.956829
"913119"	425.173386	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M-H+CF3COOH"	112.985586
"1292744"	461.150064	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Cl+CF3COOH"	148.962264
"1370915"	277.175124	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H-2H2O"	-35.012676
"1387316"	295.1851	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H-H2O"	-17.0027
"287003"	625.382876	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+H"	1.007276
"678330"	937.570676	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+H"	1.007276
"1351673"	313.195076	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H"	1.007276
"128297"	313.195076	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+2H"	2.014552
"567856"	469.288976	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+2H"	2.014552
"1039938"	157.101176	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2H"	2.014552
"207474"	209.132476	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+3H"	3.021828
"649587"	313.195076	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+3H"	3.021828
"1165160"	105.069876	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+3H"	3.021828
"431352"	642.409423	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+NH4"	18.033823
"791617"	954.597223	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+NH4"	18.033823
"1687945"	330.221623	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+NH4"	18.033823
"338047"	321.7083495	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+H+NH4"	19.041099
"724392"	477.8022495	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+H+NH4"	19.041099
"1479184"	165.6144495	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H+NH4"	19.041099
"395320"	647.364818	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+Na"	22.989218
"754972"	959.552618	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+Na"	22.989218
"1603920"	335.177018	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Na"	22.989218
"316632"	324.186047	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+H+Na"	23.996494
"709417"	480.279947	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+H+Na"	23.996494
"1462392"	168.092147	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H+Na"	23.996494
"1053206"	112.39719	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2H+Na"	25.00377
"1257676"	345.221286	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+CH3OH+H"	33.033486
"381847"	663.338758	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+K"	38.963158
"739559"	975.526558	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+K"	38.963158
"1540640"	351.150958	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+K"	38.963158
"313994"	332.173017	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+H+K"	39.970434
"705435"	488.266917	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+H+K"	39.970434
"1461085"	176.079117	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H+K"	39.970434
"250411"	666.409426	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+ACN+H"	42.033826
"1225316"	354.221626	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+ACN+H"	42.033826
"1204455"	177.614451	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+ACN+2H"	43.041102
"198420"	669.34676	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+2Na-H"	44.97116
"643980"	981.53456	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+2Na-H"	44.97116
"1146350"	357.15896	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2Na-H"	44.97116
"188226"	335.177018	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+2Na"	45.978436
"626521"	491.270918	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+2Na"	45.978436
"1130635"	179.083118	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2Na"	45.978436
"1410997"	119.724504	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H+2Na"	46.985712
"1441291"	359.200546	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H+HCOOH"	47.012746
"229893"	340.21004	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+3H2O+2H"	56.04448
"1517955"	373.25259	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+IsoProp+H"	61.06479
"414359"	343.163988	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+Na+K"	61.952376
"771224"	499.257888	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+Na+K"	61.952376
"1667313"	187.070088	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Na+K"	61.952376
"259305"	688.391368	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+ACN+Na"	64.015768
"1233111"	376.203568	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+ACN+Na"	64.015768
"1727353"	376.227093	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+NH4+HCOOH"	64.039293
"1192708"	127.051818	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+3Na"	68.967654
"1664424"	381.182488	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Na+HCOOH"	68.994688
"171772"	701.29464	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+2K-H"	76.91904
"612060"	1013.48244	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+2K-H"	76.91904
"1098880"	389.10684	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2K-H"	76.91904
"152657"	351.150958	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"2M+2K"	77.926316
"591125"	507.244858	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"3M+2K"	77.926316
"1072357"	195.057058	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2K"	77.926316
"1102284"	391.121392	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2K+H"	78.933592
"1336720"	391.209007	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+DMSO+H"	79.021207
"1011575"	395.248176	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2ACN+H"	83.060376
"1525203"	396.241808	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+IsoProp+Na+H"	84.054008
"991045"	198.127726	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+2ACN+2H"	84.067652
"1588463"	397.156428	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+K+HCOOH"	84.968628
"1419592"	427.187938	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+H+CF3COOH"	115.000138
"1150973"	218.641001	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+3ACN+2H"	125.094202
"1700526"	444.214485	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+NH4+CF3COOH"	132.026685
"1639454"	449.16988	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+Na+CF3COOH"	136.98208
"1580577"	465.14382	"C14561"	"246-Triphenyl-1-hexene"	"C24H24"	"312.1878"	"M+K+CF3COOH"	152.95602
"816410"	208.1252	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M"	0
"981194"	189.10681	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-H2O-H"	-19.01839
"73810"	137.742857333333	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M-3H"	-3.021828
"507905"	207.117924	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M-3H"	-3.021828
"887893"	68.3677906666667	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-3H"	-3.021828
"7563"	207.117924	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M-2H"	-2.014552
"453322"	311.180524	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M-2H"	-2.014552
"824927"	103.055324	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-2H"	-2.014552
"87104"	415.243124	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M-H"	-1.007276
"524477"	623.368324	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M-H"	-1.007276
"904472"	207.117924	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-H"	-1.007276
"54472"	432.269671	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M-2H+NH4"	16.019271
"492939"	640.394871	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M-2H+NH4"	16.019271
"879750"	224.144471	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-2H+NH4"	16.019271
"46925"	437.225066	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M-2H+Na"	20.974666
"487079"	645.350266	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M-2H+Na"	20.974666
"863959"	229.099866	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-2H+Na"	20.974666
"1633529"	229.099866	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Na-2H"	20.974666
"109695"	225.106263	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M-H+Cl"	33.962126
"549903"	329.168863	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M-H+Cl"	33.962126
"941345"	121.043663	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-H+Cl"	33.962126
"278077"	451.219802	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+Cl"	34.969402
"675488"	659.345002	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+Cl"	34.969402
"1282911"	243.094602	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Cl"	34.969402
"28746"	453.199006	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M-2H+K"	36.948606
"462839"	661.324206	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M-2H+K"	36.948606
"837364"	245.073806	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-2H+K"	36.948606
"1564131"	245.073806	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+K-2H"	36.948606
"947639"	253.123394	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-H+HCOOH"	44.998194
"368043"	461.248601	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+HCOOH-H"	44.998201
"347063"	475.264251	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+Hac-H"	59.013851
"1494560"	267.139051	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Hac-H"	59.013851
"958624"	275.105351	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-H+NaCOOH"	66.980151
"110189"	243.094602	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+2Cl"	69.938804
"550567"	347.157202	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+2Cl"	69.938804
"1022526"	139.032002	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2Cl"	69.938804
"1245141"	287.044085	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Br"	78.918885
"1310869"	289.100072	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Cl+HCOOH"	80.974872
"1329460"	311.082029	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Cl+NaCOOH"	102.956829
"920518"	321.110786	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M-H+CF3COOH"	112.985586
"1290178"	357.087464	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Cl+CF3COOH"	148.962264
"1381237"	173.112524	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H-2H2O"	-35.012676
"1391804"	191.1225	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H-H2O"	-17.0027
"291491"	417.257676	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+H"	1.007276
"682818"	625.382876	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+H"	1.007276
"1354425"	209.132476	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H"	1.007276
"130962"	209.132476	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+2H"	2.014552
"570886"	313.195076	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+2H"	2.014552
"1040049"	105.069876	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2H"	2.014552
"207584"	139.757409333333	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+3H"	3.021828
"649697"	209.132476	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+3H"	3.021828
"1170375"	70.3823426666667	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+3H"	3.021828
"430369"	434.284223	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+NH4"	18.033823
"791727"	642.409423	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+NH4"	18.033823
"1685505"	226.159023	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+NH4"	18.033823
"335970"	217.6457495	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+H+NH4"	19.041099
"726567"	321.7083495	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+H+NH4"	19.041099
"1479293"	113.5831495	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H+NH4"	19.041099
"393843"	439.239618	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+Na"	22.989218
"756051"	647.364818	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+Na"	22.989218
"1603913"	231.114418	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Na"	22.989218
"315403"	220.123447	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+H+Na"	23.996494
"710619"	324.186047	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+H+Na"	23.996494
"1465171"	116.060847	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H+Na"	23.996494
"1054045"	77.7096566666667	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2H+Na"	25.00377
"1258391"	241.158686	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+CH3OH+H"	33.033486
"381957"	455.213558	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+K"	38.963158
"739668"	663.338758	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+K"	38.963158
"1540385"	247.088358	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+K"	38.963158
"314254"	228.110417	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+H+K"	39.970434
"706989"	332.173017	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+H+K"	39.970434
"1461140"	124.047817	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H+K"	39.970434
"251402"	458.284226	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+ACN+H"	42.033826
"1225476"	250.159026	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+ACN+H"	42.033826
"1209822"	125.583151	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+ACN+2H"	43.041102
"204105"	461.22156	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+2Na-H"	44.97116
"644136"	669.34676	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+2Na-H"	44.97116
"1145969"	253.09636	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2Na-H"	44.97116
"188179"	231.114418	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+2Na"	45.978436
"628336"	335.177018	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+2Na"	45.978436
"1131115"	127.051818	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2Na"	45.978436
"1410378"	85.0369706666667	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H+2Na"	46.985712
"1442495"	255.137946	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H+HCOOH"	47.012746
"230003"	236.14744	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+3H2O+2H"	56.04448
"1512598"	269.18999	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+IsoProp+H"	61.06479
"409734"	239.101388	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+Na+K"	61.952376
"771456"	343.163988	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+Na+K"	61.952376
"1668517"	135.038788	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Na+K"	61.952376
"261602"	480.266168	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+ACN+Na"	64.015768
"1235410"	272.140968	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+ACN+Na"	64.015768
"1728075"	272.164493	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+NH4+HCOOH"	64.039293
"1193307"	92.3642846666667	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+3Na"	68.967654
"1665029"	277.119888	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Na+HCOOH"	68.994688
"172615"	493.16944	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+2K-H"	76.91904
"612051"	701.29464	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+2K-H"	76.91904
"1098140"	285.04424	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2K-H"	76.91904
"154955"	247.088358	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"2M+2K"	77.926316
"595491"	351.150958	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"3M+2K"	77.926316
"1079029"	143.025758	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2K"	77.926316
"1104582"	287.058792	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2K+H"	78.933592
"1338780"	287.146407	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+DMSO+H"	79.021207
"1014970"	291.185576	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2ACN+H"	83.060376
"1527628"	292.179208	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+IsoProp+Na+H"	84.054008
"1001729"	146.096426	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+2ACN+2H"	84.067652
"1594043"	293.093828	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+K+HCOOH"	84.968628
"1428090"	323.125338	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+H+CF3COOH"	115.000138
"1158741"	166.609701	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+3ACN+2H"	125.094202
"1710482"	340.151885	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+NH4+CF3COOH"	132.026685
"1646130"	345.10728	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+Na+CF3COOH"	136.98208
"1580687"	361.08122	"C14562"	"24-Diphenyl-1-butene"	"C16H16"	"208.1252"	"M+K+CF3COOH"	152.95602
"801458"	268.0888	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"982394"	249.07041	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"72826"	177.718590666667	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"511293"	267.081524	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"886906"	88.3556573333333	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"3298"	267.081524	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"453432"	401.125924	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"822850"	133.037124	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"87214"	535.170324	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"524587"	803.259124	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"895649"	267.081524	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"51302"	552.196871	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"489038"	820.285671	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"879015"	284.108071	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"47021"	557.152266	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"486630"	825.241066	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"863907"	289.063466	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1634089"	289.063466	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"109718"	285.069863	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"549728"	419.114263	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"941091"	151.025463	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"278187"	571.147002	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"675232"	839.235802	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1284115"	303.058202	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"28856"	573.126206	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"462949"	841.215006	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"844034"	305.037406	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1567521"	305.037406	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"951030"	313.086994	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"368517"	581.175801	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"346444"	595.191451	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1496858"	327.102651	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"958559"	335.068951	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"110102"	303.058202	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"550556"	437.102602	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1021702"	169.013802	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1244158"	347.007685	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1313165"	349.063672	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1328476"	371.045629	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"920628"	381.074386	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1290046"	417.051064	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1380253"	233.076124	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1394101"	251.0861	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"287590"	537.184876	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"679648"	805.273676	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1358182"	269.096076	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"131072"	269.096076	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"570632"	403.140476	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1039795"	135.051676	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"207323"	179.733142666667	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"644702"	269.096076	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1167568"	90.3702093333333	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"432666"	554.211423	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"788921"	822.300223	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1684522"	286.122623	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"334987"	277.6093495	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"725218"	411.6537495	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1478067"	143.5649495	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"393303"	559.166818	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"754826"	827.255618	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1603005"	291.078018	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"314664"	280.087047	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"710364"	414.131447	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1465280"	146.042647	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1056343"	97.6975233333333	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1257329"	301.122286	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"380974"	575.140758	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"738726"	843.229558	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1540165"	307.051958	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"313364"	288.074017	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"706798"	422.118417	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1460573"	154.029617	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"251171"	578.211426	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1224689"	310.122626	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1209704"	155.564951	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"202896"	581.14876	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"644152"	849.23756	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1144986"	313.05996	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"188467"	291.078018	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"628288"	425.122418	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1131324"	157.033618	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1410124"	105.024837333333	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1442605"	315.101546	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"230113"	296.11104	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1510522"	329.15359	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"409480"	299.064988	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"772296"	433.109388	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1669722"	165.020588	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"259526"	600.193368	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1237706"	332.104568	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1728155"	332.128093	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1193997"	112.352151333333	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1665496"	337.083488	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"172813"	613.09664	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"612735"	881.18544	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1099784"	345.00784	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"155065"	307.051958	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"596948"	441.096358	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1078046"	173.007558	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1103599"	347.022392	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1336944"	347.110007	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1020305"	351.149176	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1532112"	352.142808	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"1002932"	176.078226	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591966"	353.057428	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1428565"	383.088938	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1159944"	196.591501	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1710592"	400.115485	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1646240"	405.07088	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1580797"	421.04482	"C14563"	"12-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"805693"	268.0888	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"982504"	249.07041	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"68562"	177.718590666667	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"510309"	267.081524	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"888109"	88.3556573333333	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"4500"	267.081524	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"450260"	401.125924	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"824050"	133.037124	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"89876"	535.170324	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"524697"	803.259124	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"896051"	267.081524	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"52505"	552.196871	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"494248"	820.285671	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"869870"	284.108071	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"44333"	557.152266	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"481706"	825.241066	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"860601"	289.063466	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1629039"	289.063466	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"108491"	285.069863	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"547319"	419.114263	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"940836"	151.025463	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"277204"	571.147002	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"668531"	839.235802	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1283131"	303.058202	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"26780"	573.126206	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"463059"	841.215006	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"840861"	305.037406	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1564348"	305.037406	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"952234"	313.086994	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"361940"	581.175801	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"348865"	595.191451	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1498790"	327.102651	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"958631"	335.068951	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"110233"	303.058202	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"551145"	437.102602	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1022499"	169.013802	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1249734"	347.007685	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1313275"	349.063672	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1329679"	371.045629	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"916365"	381.074386	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1291249"	417.051064	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1379632"	233.076124	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1392024"	251.0861	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"287700"	537.184876	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"679758"	805.273676	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1358292"	269.096076	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"130088"	269.096076	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"568189"	403.140476	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1037716"	135.051676	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"205613"	179.733142666667	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"644448"	269.096076	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1164761"	90.3702093333333	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"427670"	554.211423	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"790489"	822.300223	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1685725"	286.122623	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"338376"	277.6093495	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"732985"	411.6537495	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1482431"	143.5649495	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"394915"	559.166818	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"756638"	827.255618	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1604855"	291.078018	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"316234"	280.087047	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"710475"	414.131447	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1465390"	146.042647	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1058638"	97.6975233333333	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1262503"	301.122286	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"382177"	575.140758	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"741711"	843.229558	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1541941"	307.051958	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"313353"	288.074017	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"706707"	422.118417	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1460324"	154.029617	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"249892"	578.211426	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1225408"	310.122626	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1208799"	155.564951	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"204158"	581.14876	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"643668"	849.23756	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1144368"	313.05996	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"187782"	291.078018	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"627953"	425.122418	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1130728"	157.033618	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1410598"	105.024837333333	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1442715"	315.101546	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"230223"	296.11104	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1515006"	329.15359	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"409953"	299.064988	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"770947"	433.109388	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1668737"	165.020588	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"254896"	600.193368	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1237088"	332.104568	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1728090"	332.128093	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1194101"	112.352151333333	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1665508"	337.083488	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"172679"	613.09664	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"612640"	881.18544	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1099780"	345.00784	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"156026"	307.051958	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"597068"	441.096358	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1078156"	173.007558	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1102980"	347.022392	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1337540"	347.110007	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1019564"	351.149176	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1534409"	352.142808	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"1003042"	176.078226	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1589890"	353.057428	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1429721"	383.088938	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1160054"	196.591501	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1710702"	400.115485	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1645257"	405.07088	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1580907"	421.04482	"C14564"	"11-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"801914"	268.0888	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"980428"	249.07041	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"68672"	177.718590666667	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"509326"	267.081524	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"890406"	88.3556573333333	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"4611"	267.081524	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"449641"	401.125924	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"823067"	133.037124	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"90714"	535.170324	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"524807"	803.259124	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"896282"	267.081524	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"51886"	552.196871	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"494359"	820.285671	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"869980"	284.108071	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"37879"	557.152266	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"481816"	825.241066	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"859615"	289.063466	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1629149"	289.063466	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"102401"	285.069863	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"540867"	419.114263	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"936571"	151.025463	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"275127"	571.147002	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"665361"	839.235802	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1284333"	303.058202	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"25796"	573.126206	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"463169"	841.215006	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"837691"	305.037406	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1564458"	305.037406	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"952344"	313.086994	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"361401"	581.175801	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"346419"	595.191451	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1495620"	327.102651	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"959393"	335.068951	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"115348"	303.058202	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"551262"	437.102602	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1021632"	169.013802	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1249844"	347.007685	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1313385"	349.063672	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1326509"	371.045629	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"915746"	381.074386	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1290993"	417.051064	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1380107"	233.076124	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1393956"	251.0861	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"289634"	537.184876	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"679868"	805.273676	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1357309"	269.096076	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"132386"	269.096076	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"567571"	403.140476	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1038190"	135.051676	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"206085"	179.733142666667	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"644674"	269.096076	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1165599"	90.3702093333333	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"424738"	554.211423	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"788046"	822.300223	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1682918"	286.122623	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"334113"	277.6093495	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"727261"	411.6537495	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1479621"	143.5649495	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"394660"	559.166818	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"755408"	827.255618	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1604116"	291.078018	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"315610"	280.087047	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"709490"	414.131447	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1463437"	146.042647	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1056561"	97.6975233333333	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1259333"	301.122286	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"381194"	575.140758	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"743277"	843.229558	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1543145"	307.051958	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"313952"	288.074017	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"706373"	422.118417	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1461294"	154.029617	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"250610"	578.211426	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1225155"	310.122626	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1209638"	155.564951	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"203690"	581.14876	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"643048"	849.23756	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1146307"	313.05996	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"186315"	291.078018	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"627581"	425.122418	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1127554"	157.033618	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1410710"	105.024837333333	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1438452"	315.101546	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"231428"	296.11104	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1517303"	329.15359	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"412619"	299.064988	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"775071"	433.109388	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1671038"	165.020588	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"259746"	600.193368	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1237199"	332.104568	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1727794"	332.128093	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1193886"	112.352151333333	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1665278"	337.083488	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"172384"	613.09664	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"612550"	881.18544	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1099731"	345.00784	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"154801"	307.051958	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"597021"	441.096358	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1078266"	173.007558	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1103819"	347.022392	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1337650"	347.110007	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1016393"	351.149176	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1537798"	352.142808	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"998777"	176.078226	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591093"	353.057428	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1429272"	383.088938	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1159071"	196.591501	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1710811"	400.115485	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1645367"	405.07088	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1581017"	421.04482	"C14565"	"10-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"803726"	202.1205	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M"	0
"981631"	183.10211	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-H2O-H"	-19.01839
"70969"	133.739724	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M-3H"	-3.021828
"511622"	201.113224	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M-3H"	-3.021828
"889423"	66.366224	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-3H"	-3.021828
"6908"	201.113224	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M-2H"	-2.014552
"449751"	302.173474	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M-2H"	-2.014552
"825364"	100.052974	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-2H"	-2.014552
"90824"	403.233724	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M-H"	-1.007276
"524917"	605.354224	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M-H"	-1.007276
"896314"	201.113224	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-H"	-1.007276
"52724"	420.260271	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M-2H+NH4"	16.019271
"490460"	622.380771	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M-2H+NH4"	16.019271
"874463"	218.139771	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-2H+NH4"	16.019271
"39082"	425.215666	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M-2H+Na"	20.974666
"476454"	627.336166	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M-2H+Na"	20.974666
"856445"	223.095166	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-2H+Na"	20.974666
"1630352"	223.095166	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Na-2H"	20.974666
"103603"	219.101563	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M-H+Cl"	33.962126
"543163"	320.161813	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M-H+Cl"	33.962126
"934494"	118.041313	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-H+Cl"	33.962126
"275237"	439.210402	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+Cl"	34.969402
"663284"	641.330902	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+Cl"	34.969402
"1282256"	237.089902	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Cl"	34.969402
"22626"	441.189606	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M-2H+K"	36.948606
"459998"	643.310106	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M-2H+K"	36.948606
"836707"	239.069106	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-2H+K"	36.948606
"1559101"	239.069106	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+K-2H"	36.948606
"946984"	247.118694	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-H+HCOOH"	44.998194
"363013"	449.239201	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+HCOOH-H"	44.998201
"346281"	463.254851	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+Hac-H"	59.013851
"1497187"	261.134351	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Hac-H"	59.013851
"961447"	269.100651	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-H+NaCOOH"	66.980151
"114365"	237.089902	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+2Cl"	69.938804
"551614"	338.150152	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+2Cl"	69.938804
"1021540"	136.029652	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2Cl"	69.938804
"1243758"	281.039385	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Br"	78.918885
"1313495"	283.095372	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Cl+HCOOH"	80.974872
"1323338"	305.077329	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Cl+NaCOOH"	102.956829
"916949"	315.106086	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M-H+CF3COOH"	112.985586
"1291835"	351.082764	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Cl+CF3COOH"	148.962264
"1380945"	167.107824	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H-2H2O"	-35.012676
"1394430"	185.1178	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H-H2O"	-17.0027
"289744"	405.248276	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+H"	1.007276
"681071"	607.368776	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+H"	1.007276
"1357419"	203.127776	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H"	1.007276
"132496"	203.127776	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+2H"	2.014552
"568773"	304.188026	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+2H"	2.014552
"1039028"	102.067526	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2H"	2.014552
"204538"	135.754276	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+3H"	3.021828
"645029"	203.127776	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+3H"	3.021828
"1163885"	68.380776	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+3H"	3.021828
"427159"	422.274823	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+NH4"	18.033823
"787061"	624.395323	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+NH4"	18.033823
"1684487"	220.154323	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+NH4"	18.033823
"333128"	211.6410495	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+H+NH4"	19.041099
"724453"	312.7012995	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+H+NH4"	19.041099
"1479733"	110.5807995	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H+NH4"	19.041099
"394162"	427.230218	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+Na"	22.989218
"756128"	629.350718	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+Na"	22.989218
"1605317"	225.109718	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Na"	22.989218
"315598"	214.118747	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+H+Na"	23.996494
"709600"	315.178997	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+H+Na"	23.996494
"1463425"	113.058497	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H+Na"	23.996494
"1054484"	75.70809	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2H+Na"	25.00377
"1257619"	235.153986	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+CH3OH+H"	33.033486
"381304"	443.204158	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+K"	38.963158
"741203"	645.324658	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+K"	38.963158
"1544349"	241.083658	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+K"	38.963158
"313947"	222.105717	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+H+K"	39.970434
"706982"	323.165967	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+H+K"	39.970434
"1460990"	121.045467	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H+K"	39.970434
"250963"	446.274826	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+ACN+H"	42.033826
"1225503"	244.154326	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+ACN+H"	42.033826
"1209709"	122.580801	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+ACN+2H"	43.041102
"203841"	449.21216	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+2Na-H"	44.97116
"643884"	651.33266	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+2Na-H"	44.97116
"1146740"	247.09166	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2Na-H"	44.97116
"186057"	225.109718	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+2Na"	45.978436
"627079"	326.169968	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+2Na"	45.978436
"1126204"	124.049468	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2Na"	45.978436
"1408633"	83.035404	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H+2Na"	46.985712
"1436739"	249.133246	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H+HCOOH"	47.012746
"228258"	230.14274	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+3H2O+2H"	56.04448
"1520329"	263.18529	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+IsoProp+H"	61.06479
"412729"	233.096688	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+Na+K"	61.952376
"774086"	334.156938	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+Na+K"	61.952376
"1669324"	132.036438	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Na+K"	61.952376
"262409"	468.256768	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+ACN+Na"	64.015768
"1240224"	266.136268	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+ACN+Na"	64.015768
"1726568"	266.159793	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+NH4+HCOOH"	64.039293
"1193512"	90.362718	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+3Na"	68.967654
"1665307"	271.115188	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Na+HCOOH"	68.994688
"171477"	481.16004	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+2K-H"	76.91904
"612500"	683.28054	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+2K-H"	76.91904
"1099189"	279.03954	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2K-H"	76.91904
"155032"	241.083658	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"2M+2K"	77.926316
"597024"	342.143908	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"3M+2K"	77.926316
"1077283"	140.023408	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2K"	77.926316
"1105022"	281.054092	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2K+H"	78.933592
"1340313"	281.141707	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+DMSO+H"	79.021207
"1016503"	285.180876	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2ACN+H"	83.060376
"1538880"	286.174508	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+IsoProp+Na+H"	84.054008
"996701"	143.094076	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+2ACN+2H"	84.067652
"1591203"	287.089128	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+K+HCOOH"	84.968628
"1426707"	317.120638	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+H+CF3COOH"	115.000138
"1159181"	163.607351	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+3ACN+2H"	125.094202
"1710921"	334.147185	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+NH4+CF3COOH"	132.026685
"1644384"	339.10258	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+Na+CF3COOH"	136.98208
"1581127"	355.07652	"C14566"	"Diethyl adipate;Diethyl hexanedioate"	"C10H18O4"	"202.1205"	"M+K+CF3COOH"	152.95602
"804930"	206.0943	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M"	0
"981741"	187.07591	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-H2O-H"	-19.01839
"74359"	136.388924	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M-3H"	-3.021828
"511732"	205.087024	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M-3H"	-3.021828
"884067"	67.690824	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-3H"	-3.021828
"7018"	205.087024	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M-2H"	-2.014552
"452048"	308.134174	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M-2H"	-2.014552
"825474"	102.039874	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-2H"	-2.014552
"90934"	411.181324	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M-H"	-1.007276
"528307"	617.275624	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M-H"	-1.007276
"898087"	205.087024	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-H"	-1.007276
"51736"	428.207871	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M-2H+NH4"	16.019271
"492390"	634.302171	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M-2H+NH4"	16.019271
"866181"	222.113571	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-2H+NH4"	16.019271
"31765"	433.163266	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M-2H+Na"	20.974666
"475469"	639.257566	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M-2H+Na"	20.974666
"859835"	227.068966	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-2H+Na"	20.974666
"1629369"	227.068966	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Na-2H"	20.974666
"100432"	223.075363	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M-H+Cl"	33.962126
"542180"	326.122513	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M-H+Cl"	33.962126
"933511"	120.028213	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-H+Cl"	33.962126
"278627"	447.158002	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+Cl"	34.969402
"662665"	653.252302	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+Cl"	34.969402
"1279082"	241.063702	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Cl"	34.969402
"22736"	449.137206	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M-2H+K"	36.948606
"459015"	655.231506	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M-2H+K"	36.948606
"836817"	243.042906	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-2H+K"	36.948606
"1558118"	243.042906	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+K-2H"	36.948606
"947094"	251.092494	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-H+HCOOH"	44.998194
"363123"	457.186801	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+HCOOH-H"	44.998201
"345836"	471.202451	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+Hac-H"	59.013851
"1495837"	265.108151	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Hac-H"	59.013851
"962650"	273.074451	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-H+NaCOOH"	66.980151
"111557"	241.063702	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+2Cl"	69.938804
"552211"	344.110852	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+2Cl"	69.938804
"1022463"	138.016552	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2Cl"	69.938804
"1243868"	285.013185	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Br"	78.918885
"1313605"	287.069172	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Cl+HCOOH"	80.974872
"1324542"	309.051129	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Cl+NaCOOH"	102.956829
"918152"	319.079886	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M-H+CF3COOH"	112.985586
"1291945"	355.056564	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Cl+CF3COOH"	148.962264
"1379598"	171.081624	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H-2H2O"	-35.012676
"1394905"	189.0916	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H-H2O"	-17.0027
"289854"	413.195876	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+H"	1.007276
"681181"	619.290176	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+H"	1.007276
"1360809"	207.101576	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H"	1.007276
"132606"	207.101576	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+2H"	2.014552
"568519"	310.148726	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+2H"	2.014552
"1037330"	104.054426	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2H"	2.014552
"204849"	138.403476	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+3H"	3.021828
"645138"	207.101576	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+3H"	3.021828
"1164360"	69.705376	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+3H"	3.021828
"427269"	430.222423	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+NH4"	18.033823
"790818"	636.316723	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+NH4"	18.033823
"1687149"	224.128123	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+NH4"	18.033823
"334697"	215.6148495	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+H+NH4"	19.041099
"725658"	318.6619995	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+H+NH4"	19.041099
"1479843"	112.5676995	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H+NH4"	19.041099
"393785"	435.177818	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+Na"	22.989218
"754783"	641.272118	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+Na"	22.989218
"1606163"	229.083518	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Na"	22.989218
"314331"	218.092547	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+H+Na"	23.996494
"707890"	321.139697	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+H+Na"	23.996494
"1463656"	115.045397	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H+Na"	23.996494
"1054593"	77.03269	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2H+Na"	25.00377
"1257973"	239.127786	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+CH3OH+H"	33.033486
"379224"	451.151758	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+K"	38.963158
"741312"	657.246058	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+K"	38.963158
"1546646"	245.057458	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+K"	38.963158
"314057"	226.079517	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+H+K"	39.970434
"707014"	329.126667	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+H+K"	39.970434
"1461182"	123.032367	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H+K"	39.970434
"250709"	454.222426	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+ACN+H"	42.033826
"1225215"	248.128126	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+ACN+H"	42.033826
"1209663"	124.567701	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+ACN+2H"	43.041102
"204137"	457.15976	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+2Na-H"	44.97116
"644166"	663.25406	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+2Na-H"	44.97116
"1146880"	251.06546	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2Na-H"	44.97116
"187876"	229.083518	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+2Na"	45.978436
"627555"	332.130668	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+2Na"	45.978436
"1129962"	126.036368	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2Na"	45.978436
"1412023"	84.360004	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H+2Na"	46.985712
"1434299"	253.107046	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H+HCOOH"	47.012746
"229461"	234.11654	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+3H2O+2H"	56.04448
"1520803"	267.15909	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+IsoProp+H"	61.06479
"417214"	237.070488	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+Na+K"	61.952376
"777115"	340.117638	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+Na+K"	61.952376
"1669070"	134.023338	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Na+K"	61.952376
"262154"	476.204368	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+ACN+Na"	64.015768
"1236689"	270.110068	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+ACN+Na"	64.015768
"1726678"	270.133593	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+NH4+HCOOH"	64.039293
"1192762"	91.687318	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+3Na"	68.967654
"1665549"	275.088988	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Na+HCOOH"	68.994688
"172644"	489.10764	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+2K-H"	76.91904
"612744"	695.20194	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+2K-H"	76.91904
"1099055"	283.01334	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2K-H"	76.91904
"154411"	245.057458	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"2M+2K"	77.926316
"596649"	348.104608	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"3M+2K"	77.926316
"1077393"	142.010308	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2K"	77.926316
"1104403"	285.027892	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2K+H"	78.933592
"1340423"	285.115507	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+DMSO+H"	79.021207
"1018800"	289.154676	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2ACN+H"	83.060376
"1539111"	290.148308	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+IsoProp+Na+H"	84.054008
"997904"	145.080976	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+2ACN+2H"	84.067652
"1591313"	291.062928	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+K+HCOOH"	84.968628
"1424630"	321.094438	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+H+CF3COOH"	115.000138
"1157104"	165.594251	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+3ACN+2H"	125.094202
"1711031"	338.120985	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+NH4+CF3COOH"	132.026685
"1645587"	343.07638	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+Na+CF3COOH"	136.98208
"1581237"	359.05032	"C14567"	"Acetyleugenol"	"C12H14O3"	"206.0943"	"M+K+CF3COOH"	152.95602
"802853"	311.0885	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M"	0
"978571"	292.07011	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-H2O-H"	-19.01839
"74469"	206.385057333333	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M-3H"	-3.021828
"508562"	310.081224	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M-3H"	-3.021828
"889643"	102.688890666667	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-3H"	-3.021828
"3848"	310.081224	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M-2H"	-2.014552
"453251"	465.625474	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M-2H"	-2.014552
"826677"	154.536974	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-2H"	-2.014552
"91044"	621.169724	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M-H"	-1.007276
"529146"	932.258224	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M-H"	-1.007276
"897468"	310.081224	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-H"	-1.007276
"52939"	638.196271	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M-2H+NH4"	16.019271
"490313"	949.284771	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M-2H+NH4"	16.019271
"865927"	327.107771	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-2H+NH4"	16.019271
"31603"	643.151666	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M-2H+Na"	20.974666
"477765"	954.240166	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M-2H+Na"	20.974666
"861038"	332.063166	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-2H+Na"	20.974666
"1624373"	332.063166	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Na-2H"	20.974666
"101630"	328.069563	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M-H+Cl"	33.962126
"545570"	483.613813	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M-H+Cl"	33.962126
"932526"	172.525313	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-H+Cl"	33.962126
"272175"	657.146402	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+Cl"	34.969402
"665688"	968.234902	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+Cl"	34.969402
"1279192"	346.057902	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Cl"	34.969402
"22843"	659.125606	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M-2H+K"	36.948606
"458028"	970.214106	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M-2H+K"	36.948606
"840207"	348.037106	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-2H+K"	36.948606
"1559321"	348.037106	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+K-2H"	36.948606
"947204"	356.086694	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-H+HCOOH"	44.998194
"368700"	667.175201	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+HCOOH-H"	44.998201
"347115"	681.190851	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+Hac-H"	59.013851
"1495947"	370.102351	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Hac-H"	59.013851
"962396"	378.068651	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-H+NaCOOH"	66.980151
"112760"	346.057902	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+2Cl"	69.938804
"552321"	501.602152	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+2Cl"	69.938804
"1024036"	190.513652	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2Cl"	69.938804
"1243614"	390.007385	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Br"	78.918885
"1313715"	392.063372	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Cl+HCOOH"	80.974872
"1325745"	414.045329	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Cl+NaCOOH"	102.956829
"917898"	424.074086	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M-H+CF3COOH"	112.985586
"1292055"	460.050764	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Cl+CF3COOH"	148.962264
"1381166"	276.075824	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H-2H2O"	-35.012676
"1395015"	294.0858	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H-H2O"	-17.0027
"289964"	623.184276	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+H"	1.007276
"682384"	934.272776	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+H"	1.007276
"1357639"	312.095776	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H"	1.007276
"133809"	312.095776	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+2H"	2.014552
"568265"	467.640026	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+2H"	2.014552
"1037791"	156.551526	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2H"	2.014552
"205324"	208.399609333333	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+3H"	3.021828
"645249"	312.095776	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+3H"	3.021828
"1163741"	104.703442666667	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+3H"	3.021828
"428839"	640.210823	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+NH4"	18.033823
"788738"	951.299323	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+NH4"	18.033823
"1687259"	329.122323	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+NH4"	18.033823
"335536"	320.6090495	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+H+NH4"	19.041099
"726499"	476.1532995	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+H+NH4"	19.041099
"1479956"	165.0647995	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H+NH4"	19.041099
"394986"	645.166218	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+Na"	22.989218
"754894"	956.254718	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+Na"	22.989218
"1604086"	334.077718	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Na"	22.989218
"315940"	323.086747	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+H+Na"	23.996494
"708732"	478.630997	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+H+Na"	23.996494
"1462552"	167.542497	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H+Na"	23.996494
"1056891"	112.030756666667	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2H+Na"	25.00377
"1258572"	344.121986	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+CH3OH+H"	33.033486
"377512"	661.140158	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+K"	38.963158
"739237"	972.228658	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+K"	38.963158
"1545664"	350.051658	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+K"	38.963158
"314082"	331.073717	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+H+K"	39.970434
"706971"	486.617967	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+H+K"	39.970434
"1459665"	175.529467	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H+K"	39.970434
"248630"	664.210826	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+ACN+H"	42.033826
"1225359"	353.122326	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+ACN+H"	42.033826
"1209444"	177.064801	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+ACN+2H"	43.041102
"203773"	667.14816	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+2Na-H"	44.97116
"643739"	978.23666	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+2Na-H"	44.97116
"1146272"	356.05966	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2Na-H"	44.97116
"187010"	334.077718	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+2Na"	45.978436
"626446"	489.621968	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+2Na"	45.978436
"1127156"	178.533468	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2Na"	45.978436
"1406667"	119.358070666667	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H+2Na"	46.985712
"1433315"	358.101246	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H+HCOOH"	47.012746
"224102"	339.11074	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+3H2O+2H"	56.04448
"1516539"	372.15329	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+IsoProp+H"	61.06479
"419510"	342.064688	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+Na+K"	61.952376
"777225"	497.608938	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+Na+K"	61.952376
"1669908"	186.520438	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Na+K"	61.952376
"260077"	686.192768	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+ACN+Na"	64.015768
"1233880"	375.104268	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+ACN+Na"	64.015768
"1725691"	375.127793	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+NH4+HCOOH"	64.039293
"1193236"	126.685384666667	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+3Na"	68.967654
"1665291"	380.083188	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Na+HCOOH"	68.994688
"172590"	699.09604	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+2K-H"	76.91904
"612707"	1010.18454	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+2K-H"	76.91904
"1099045"	388.00754	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2K-H"	76.91904
"155494"	350.051658	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"2M+2K"	77.926316
"594084"	505.595908	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"3M+2K"	77.926316
"1078596"	194.507408	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2K"	77.926316
"1104513"	390.022092	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2K+H"	78.933592
"1342719"	390.109707	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+DMSO+H"	79.021207
"1020004"	394.148876	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2ACN+H"	83.060376
"1538127"	395.142508	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+IsoProp+Na+H"	84.054008
"998014"	197.578076	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+2ACN+2H"	84.067652
"1593610"	396.057128	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+K+HCOOH"	84.968628
"1425834"	426.088638	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+H+CF3COOH"	115.000138
"1156122"	218.091351	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+3ACN+2H"	125.094202
"1711141"	443.115185	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+NH4+CF3COOH"	132.026685
"1645697"	448.07058	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+Na+CF3COOH"	136.98208
"1581347"	464.04452	"C14568"	"Bromobutide;Sumiherb;2-Bromo-33-dimethyl-N-(1-methyl-1-phenylethyl)butanamide;(RS)-2-Bromo-N-(alphaalpha-dimethylbenzyl)-33-dimethylbutyramide"	"C15H22BrNO"	"311.0885"	"M+K+CF3COOH"	152.95602
"811712"	218.0224	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M"	0
"981964"	199.00401	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-H2O-H"	-19.01839
"71300"	144.340990666667	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M-3H"	-3.021828
"511953"	217.015124	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M-3H"	-3.021828
"889755"	71.6668573333333	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-3H"	-3.021828
"6146"	217.015124	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M-2H"	-2.014552
"453361"	326.026324	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M-2H"	-2.014552
"831043"	108.003924	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-2H"	-2.014552
"93348"	435.037524	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M-H"	-1.007276
"531809"	653.059924	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M-H"	-1.007276
"905236"	217.015124	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-H"	-1.007276
"55240"	452.064071	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M-2H+NH4"	16.019271
"499174"	670.086471	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M-2H+NH4"	16.019271
"872599"	234.041671	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-2H+NH4"	16.019271
"41594"	457.019466	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M-2H+Na"	20.974666
"480067"	675.041866	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M-2H+Na"	20.974666
"857868"	238.997066	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-2H+Na"	20.974666
"1626308"	238.997066	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Na-2H"	20.974666
"100651"	235.003463	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M-H+Cl"	33.962126
"542402"	344.014663	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M-H+Cl"	33.962126
"928265"	125.992263	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-H+Cl"	33.962126
"269003"	471.014202	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+Cl"	34.969402
"663613"	689.036602	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+Cl"	34.969402
"1281491"	252.991802	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Cl"	34.969402
"22953"	472.993406	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M-2H+K"	36.948606
"464703"	691.015806	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M-2H+K"	36.948606
"834484"	254.971006	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-2H+K"	36.948606
"1557972"	254.971006	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+K-2H"	36.948606
"946222"	263.020594	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-H+HCOOH"	44.998194
"363343"	481.043001	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+HCOOH-H"	44.998201
"348319"	495.058651	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+Hac-H"	59.013851
"1493016"	277.036251	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Hac-H"	59.013851
"967972"	285.002551	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-H+NaCOOH"	66.980151
"114692"	252.991802	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+2Cl"	69.938804
"552792"	362.003002	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+2Cl"	69.938804
"1023779"	143.980602	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2Cl"	69.938804
"1244816"	296.941285	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Br"	78.918885
"1310545"	298.997272	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Cl+HCOOH"	80.974872
"1322210"	320.979229	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Cl+NaCOOH"	102.956829
"913633"	331.007986	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M-H+CF3COOH"	112.985586
"1290707"	366.984664	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Cl+CF3COOH"	148.962264
"1380181"	183.009724	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H-2H2O"	-35.012676
"1389293"	201.0197	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H-H2O"	-17.0027
"283873"	437.052076	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+H"	1.007276
"676293"	655.074476	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+H"	1.007276
"1353374"	219.029676	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H"	1.007276
"131731"	219.029676	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+2H"	2.014552
"568739"	328.040876	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+2H"	2.014552
"1038993"	110.018476	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2H"	2.014552
"210179"	146.355542666667	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+3H"	3.021828
"650835"	219.029676	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+3H"	3.021828
"1172239"	73.6814093333333	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+3H"	3.021828
"435510"	454.078623	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+NH4"	18.033823
"791040"	672.101023	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+NH4"	18.033823
"1690650"	236.056223	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+NH4"	18.033823
"336741"	227.5429495	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+H+NH4"	19.041099
"730256"	336.5541495	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+H+NH4"	19.041099
"1486263"	118.5317495	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H+NH4"	19.041099
"397289"	459.034018	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+Na"	22.989218
"756100"	677.056418	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+Na"	22.989218
"1603347"	241.011618	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Na"	22.989218
"315329"	230.020647	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+H+Na"	23.996494
"711033"	339.031847	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+H+Na"	23.996494
"1465945"	121.009447	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H+Na"	23.996494
"1055911"	81.0087233333333	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2H+Na"	25.00377
"1265244"	251.055886	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+CH3OH+H"	33.033486
"384913"	475.007958	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+K"	38.963158
"749192"	693.030358	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+K"	38.963158
"1551243"	256.985558	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+K"	38.963158
"313168"	238.007617	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+H+K"	39.970434
"705226"	347.018817	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+H+K"	39.970434
"1454669"	128.996417	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H+K"	39.970434
"248376"	478.078626	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+ACN+H"	42.033826
"1225522"	260.056226	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+ACN+H"	42.033826
"1209433"	130.531751	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+ACN+2H"	43.041102
"204046"	481.01596	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+2Na-H"	44.97116
"642998"	699.03836	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+2Na-H"	44.97116
"1146136"	262.99356	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2Na-H"	44.97116
"187483"	241.011618	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+2Na"	45.978436
"625949"	350.022818	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+2Na"	45.978436
"1128363"	132.000418	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2Na"	45.978436
"1410058"	88.3360373333333	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H+2Na"	46.985712
"1435614"	265.035146	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H+HCOOH"	47.012746
"223484"	246.04464	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+3H2O+2H"	56.04448
"1513003"	279.08719	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+IsoProp+H"	61.06479
"415247"	248.998588	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+Na+K"	61.952376
"778430"	358.009788	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+Na+K"	61.952376
"1669292"	139.987388	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Na+K"	61.952376
"260187"	500.060568	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+ACN+Na"	64.015768
"1233990"	282.038168	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+ACN+Na"	64.015768
"1725801"	282.061693	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+NH4+HCOOH"	64.039293
"1194082"	95.6633513333333	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+3Na"	68.967654
"1664457"	287.017088	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Na+HCOOH"	68.994688
"171561"	512.96384	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+2K-H"	76.91904
"612092"	730.98624	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+2K-H"	76.91904
"1096724"	294.94144	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2K-H"	76.91904
"154269"	256.985558	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"2M+2K"	77.926316
"597047"	365.996758	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"3M+2K"	77.926316
"1081987"	147.974358	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2K"	77.926316
"1110822"	296.955992	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2K+H"	78.933592
"1340643"	297.043607	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+DMSO+H"	79.021207
"1020601"	301.082776	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2ACN+H"	83.060376
"1538971"	302.076408	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+IsoProp+Na+H"	84.054008
"1004688"	151.045026	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+2ACN+2H"	84.067652
"1600284"	302.991028	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+K+HCOOH"	84.968628
"1425944"	333.022538	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+H+CF3COOH"	115.000138
"1158420"	171.558301	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+3ACN+2H"	125.094202
"1711980"	350.049085	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+NH4+CF3COOH"	132.026685
"1645807"	355.00448	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+Na+CF3COOH"	136.98208
"1581457"	370.97842	"C14569"	"44-Biphenyldithiol;44-Dimercaptobiphenyl;44-Thiobiphenyl"	"C12H10S2"	"218.0224"	"M+K+CF3COOH"	152.95602
"811821"	174.0892	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M"	0
"982073"	155.07081	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-H2O-H"	-19.01839
"71410"	115.052190666667	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M-3H"	-3.021828
"512062"	173.081924	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M-3H"	-3.021828
"883304"	57.0224573333333	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-3H"	-3.021828
"9536"	173.081924	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M-2H"	-2.014552
"453471"	260.126524	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M-2H"	-2.014552
"830910"	86.037324	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-2H"	-2.014552
"93336"	347.171124	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M-H"	-1.007276
"531919"	521.260324	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M-H"	-1.007276
"906439"	173.081924	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-H"	-1.007276
"58630"	364.197671	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M-2H+NH4"	16.019271
"496004"	538.286871	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M-2H+NH4"	16.019271
"872709"	190.108471	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-2H+NH4"	16.019271
"38423"	369.153066	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M-2H+Na"	20.974666
"482363"	543.242266	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M-2H+Na"	20.974666
"859072"	195.063866	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-2H+Na"	20.974666
"1626417"	195.063866	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Na-2H"	20.974666
"101852"	191.070263	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M-H+Cl"	33.962126
"540321"	278.114863	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M-H+Cl"	33.962126
"927359"	104.025663	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-H+Cl"	33.962126
"268143"	383.147802	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+Cl"	34.969402
"661657"	557.237002	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+Cl"	34.969402
"1276134"	209.058602	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Cl"	34.969402
"25250"	385.127006	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M-2H+K"	36.948606
"465906"	559.216206	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M-2H+K"	36.948606
"833258"	211.037806	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-2H+K"	36.948606
"1555623"	211.037806	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+K-2H"	36.948606
"945239"	219.087394	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-H+HCOOH"	44.998194
"362725"	393.176601	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+HCOOH-H"	44.998201
"348430"	407.192251	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+Hac-H"	59.013851
"1494345"	233.103051	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Hac-H"	59.013851
"964802"	241.069351	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-H+NaCOOH"	66.980151
"113708"	209.058602	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+2Cl"	69.938804
"553267"	296.103202	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+2Cl"	69.938804
"1026440"	122.014002	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2Cl"	69.938804
"1249299"	253.008085	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Br"	78.918885
"1308469"	255.064072	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Cl+HCOOH"	80.974872
"1324873"	277.046029	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Cl+NaCOOH"	102.956829
"914108"	287.074786	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M-H+CF3COOH"	112.985586
"1299203"	323.051464	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Cl+CF3COOH"	148.962264
"1379562"	139.076524	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H-2H2O"	-35.012676
"1389403"	157.0865	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H-H2O"	-17.0027
"283984"	349.185676	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+H"	1.007276
"675833"	523.274876	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+H"	1.007276
"1351534"	175.096476	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H"	1.007276
"126858"	175.096476	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+2H"	2.014552
"568118"	262.141076	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+2H"	2.014552
"1038740"	88.051876	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2H"	2.014552
"205910"	117.066742666667	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+3H"	3.021828
"653131"	175.096476	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+3H"	3.021828
"1169069"	59.0370093333333	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+3H"	3.021828
"435620"	366.212223	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+NH4"	18.033823
"793335"	540.301423	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+NH4"	18.033823
"1689666"	192.123023	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+NH4"	18.033823
"336851"	183.6097495	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+H+NH4"	19.041099
"731459"	270.6543495	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+H+NH4"	19.041099
"1488559"	96.5651495	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H+NH4"	19.041099
"397399"	371.167618	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+Na"	22.989218
"756210"	545.256818	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+Na"	22.989218
"1603821"	197.078418	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Na"	22.989218
"315439"	186.087447	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+H+Na"	23.996494
"708954"	273.132047	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+H+Na"	23.996494
"1462774"	99.042847	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H+Na"	23.996494
"1058206"	66.3643233333333	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2H+Na"	25.00377
"1262071"	207.122686	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+CH3OH+H"	33.033486
"387575"	387.141558	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+K"	38.963158
"746021"	561.230758	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+K"	38.963158
"1551353"	213.052358	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+K"	38.963158
"311456"	194.074417	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+H+K"	39.970434
"704607"	281.119017	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+H+K"	39.970434
"1454779"	107.029817	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H+K"	39.970434
"248486"	390.212226	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+ACN+H"	42.033826
"1225090"	216.123026	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+ACN+H"	42.033826
"1208972"	108.565151	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+ACN+2H"	43.041102
"202698"	393.14956	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+2Na-H"	44.97116
"641894"	567.23876	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+2Na-H"	44.97116
"1146002"	219.06036	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2Na-H"	44.97116
"186624"	197.078418	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+2Na"	45.978436
"625326"	284.123018	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+2Na"	45.978436
"1127741"	110.033818	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2Na"	45.978436
"1409075"	73.6916373333333	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H+2Na"	46.985712
"1436817"	221.101946	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H+HCOOH"	47.012746
"225417"	202.11144	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+3H2O+2H"	56.04448
"1515665"	235.15399	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+IsoProp+H"	61.06479
"418639"	205.065388	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+Na+K"	61.952376
"779634"	292.109988	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+Na+K"	61.952376
"1669403"	118.020788	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Na+K"	61.952376
"259205"	412.194168	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+ACN+Na"	64.015768
"1231914"	238.104968	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+ACN+Na"	64.015768
"1725910"	238.128493	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+NH4+HCOOH"	64.039293
"1193461"	81.0189513333333	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+3Na"	68.967654
"1665450"	243.083888	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Na+HCOOH"	68.994688
"172402"	425.09744	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+2K-H"	76.91904
"611716"	599.18664	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+2K-H"	76.91904
"1098415"	251.00824	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2K-H"	76.91904
"154743"	213.052358	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"2M+2K"	77.926316
"596501"	300.096958	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"3M+2K"	77.926316
"1082097"	126.007758	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2K"	77.926316
"1107652"	253.022792	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2K+H"	78.933592
"1340753"	253.110407	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+DMSO+H"	79.021207
"1020713"	257.149576	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2ACN+H"	83.060376
"1537258"	258.143208	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+IsoProp+Na+H"	84.054008
"1003584"	129.078426	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+2ACN+2H"	84.067652
"1599301"	259.057828	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+K+HCOOH"	84.968628
"1426783"	289.089338	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+H+CF3COOH"	115.000138
"1160717"	149.591701	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+3ACN+2H"	125.094202
"1709174"	306.115885	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+NH4+CF3COOH"	132.026685
"1645917"	311.07128	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+Na+CF3COOH"	136.98208
"1575006"	327.04522	"C14570"	"Dimethyl adipate;Dimethyl hexanedioate"	"C8H14O4"	"174.0892"	"M+K+CF3COOH"	152.95602
"805370"	263.1344	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M"	0
"979995"	244.11601	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-H2O-H"	-19.01839
"64960"	174.415657333333	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M-3H"	-3.021828
"512172"	262.127124	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M-3H"	-3.021828
"883414"	86.7041906666667	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-3H"	-3.021828
"1625"	262.127124	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M-2H"	-2.014552
"453460"	393.694324	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M-2H"	-2.014552
"830414"	130.559924	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-2H"	-2.014552
"92958"	525.261524	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M-H"	-1.007276
"531908"	788.395924	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M-H"	-1.007276
"904363"	262.127124	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-H"	-1.007276
"61414"	542.288071	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M-2H+NH4"	16.019271
"496114"	805.422471	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M-2H+NH4"	16.019271
"868446"	279.153671	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-2H+NH4"	16.019271
"38533"	547.243466	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M-2H+Na"	20.974666
"483566"	810.377866	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M-2H+Na"	20.974666
"861369"	284.109066	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-2H+Na"	20.974666
"1626527"	284.109066	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Na-2H"	20.974666
"103055"	280.115463	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M-H+Cl"	33.962126
"542618"	411.682663	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M-H+Cl"	33.962126
"928483"	148.548263	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-H+Cl"	33.962126
"272507"	561.238202	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+Cl"	34.969402
"663832"	824.372602	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+Cl"	34.969402
"1279524"	298.103802	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Cl"	34.969402
"24267"	563.217406	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M-2H+K"	36.948606
"466016"	826.351806	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M-2H+K"	36.948606
"838349"	300.083006	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-2H+K"	36.948606
"1556363"	300.083006	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+K-2H"	36.948606
"944256"	308.132594	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-H+HCOOH"	44.998194
"363199"	571.267001	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+HCOOH-H"	44.998201
"348538"	585.282651	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+Hac-H"	59.013851
"1497735"	322.148251	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Hac-H"	59.013851
"966005"	330.114551	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-H+NaCOOH"	66.980151
"116005"	298.103802	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+2Cl"	69.938804
"556658"	429.671002	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+2Cl"	69.938804
"1025455"	166.536602	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2Cl"	69.938804
"1248316"	342.053285	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Br"	78.918885
"1308579"	344.109272	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Cl+HCOOH"	80.974872
"1324982"	366.091229	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Cl+NaCOOH"	102.956829
"913854"	376.119986	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M-H+CF3COOH"	112.985586
"1296033"	412.096664	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Cl+CF3COOH"	148.962264
"1379672"	228.121724	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H-2H2O"	-35.012676
"1389513"	246.1317	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H-H2O"	-17.0027
"285186"	527.276076	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+H"	1.007276
"676512"	790.410476	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+H"	1.007276
"1351767"	264.141676	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H"	1.007276
"125947"	264.141676	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+2H"	2.014552
"567496"	395.708876	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+2H"	2.014552
"1038119"	132.574476	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2H"	2.014552
"206384"	176.430209333333	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+3H"	3.021828
"648866"	264.141676	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+3H"	3.021828
"1167718"	88.7187426666667	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+3H"	3.021828
"426979"	544.302623	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+NH4"	18.033823
"787608"	807.437023	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+NH4"	18.033823
"1684670"	281.168223	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+NH4"	18.033823
"339148"	272.6549495	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+H+NH4"	19.041099
"732662"	404.2221495	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+H+NH4"	19.041099
"1482108"	141.0877495	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H+NH4"	19.041099
"394229"	549.258018	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+Na"	22.989218
"754492"	812.392418	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+Na"	22.989218
"1603931"	286.123618	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Na"	22.989218
"314263"	275.132647	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+H+Na"	23.996494
"709064"	406.699847	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+H+Na"	23.996494
"1462639"	143.565447	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H+Na"	23.996494
"1058316"	96.0460566666667	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2H+Na"	25.00377
"1260357"	296.167886	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+CH3OH+H"	33.033486
"389871"	565.231958	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+K"	38.963158
"745034"	828.366358	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+K"	38.963158
"1554015"	302.097558	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+K"	38.963158
"313386"	283.119617	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+H+K"	39.970434
"705808"	414.686817	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+H+K"	39.970434
"1453796"	151.552417	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H+K"	39.970434
"247865"	568.302626	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+ACN+H"	42.033826
"1224830"	305.168226	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+ACN+H"	42.033826
"1208959"	153.087751	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+ACN+2H"	43.041102
"201342"	571.23996	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+2Na-H"	44.97116
"643457"	834.37436	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+2Na-H"	44.97116
"1145993"	308.10556	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2Na-H"	44.97116
"187456"	286.123618	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+2Na"	45.978436
"624343"	417.690818	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+2Na"	45.978436
"1125663"	154.556418	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2Na"	45.978436
"1410279"	103.373370666667	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H+2Na"	46.985712
"1440206"	310.147146	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H+HCOOH"	47.012746
"232087"	291.15664	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+3H2O+2H"	56.04448
"1515775"	324.19919	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+IsoProp+H"	61.06479
"420936"	294.110588	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+Na+K"	61.952376
"780838"	425.677788	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+Na+K"	61.952376
"1668784"	162.543388	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Na+K"	61.952376
"260408"	590.284568	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+ACN+Na"	64.015768
"1232024"	327.150168	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+ACN+Na"	64.015768
"1726384"	327.173693	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+NH4+HCOOH"	64.039293
"1185181"	110.700684666667	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+3Na"	68.967654
"1659447"	332.129088	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Na+HCOOH"	68.994688
"167402"	603.18784	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+2K-H"	76.91904
"611215"	866.32224	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+2K-H"	76.91904
"1098034"	340.05344	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2K-H"	76.91904
"149384"	302.097558	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"2M+2K"	77.926316
"596694"	433.664758	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"3M+2K"	77.926316
"1082207"	170.530358	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2K"	77.926316
"1109948"	342.067992	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2K+H"	78.933592
"1339770"	342.155607	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+DMSO+H"	79.021207
"1021065"	346.194776	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2ACN+H"	83.060376
"1537368"	347.188408	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+IsoProp+Na+H"	84.054008
"1003815"	173.601026	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+2ACN+2H"	84.067652
"1599412"	348.103028	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+K+HCOOH"	84.968628
"1426164"	378.134538	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+H+CF3COOH"	115.000138
"1161920"	194.114301	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+3ACN+2H"	125.094202
"1709284"	395.161085	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+NH4+CF3COOH"	132.026685
"1646027"	400.11648	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+Na+CF3COOH"	136.98208
"1571836"	416.09042	"C14571"	"Dimepiperate;S-1-Methyl-1-phenylethyl piperidine 1-carbothioate"	"C15H21NOS"	"263.1344"	"M+K+CF3COOH"	152.95602
"803657"	120.0939	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M"	0
"976096"	101.07551	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-H2O-H"	-19.01839
"64704"	79.055324	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M-3H"	-3.021828
"509002"	119.086624	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M-3H"	-3.021828
"882793"	39.024024	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-3H"	-3.021828
"2826"	119.086624	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M-2H"	-2.014552
"454056"	179.133574	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M-2H"	-2.014552
"831981"	59.039674	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-2H"	-2.014552
"93189"	239.180524	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M-H"	-1.007276
"531411"	359.274424	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M-H"	-1.007276
"904473"	119.086624	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-H"	-1.007276
"61767"	256.207071	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M-2H+NH4"	16.019271
"496224"	376.300971	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M-2H+NH4"	16.019271
"869649"	136.113171	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-2H+NH4"	16.019271
"38643"	261.162466	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M-2H+Na"	20.974666
"472855"	381.256366	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M-2H+Na"	20.974666
"857100"	141.068566	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-2H+Na"	20.974666
"1620434"	141.068566	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Na-2H"	20.974666
"96599"	137.074963	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M-H+Cl"	33.962126
"544914"	197.121913	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M-H+Cl"	33.962126
"935148"	77.028013	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-H+Cl"	33.962126
"272612"	275.157202	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+Cl"	34.969402
"669410"	395.251102	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+Cl"	34.969402
"1282914"	155.063302	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Cl"	34.969402
"25470"	277.136406	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M-2H+K"	36.948606
"465032"	397.230306	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M-2H+K"	36.948606
"841739"	157.042506	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-2H+K"	36.948606
"1556477"	157.042506	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+K-2H"	36.948606
"947280"	165.092094	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-H+HCOOH"	44.998194
"364766"	285.186001	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+HCOOH-H"	44.998201
"348648"	299.201651	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+Hac-H"	59.013851
"1497846"	179.107751	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Hac-H"	59.013851
"966115"	187.074051	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-H+NaCOOH"	66.980151
"114655"	155.063302	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+2Cl"	69.938804
"552393"	215.110252	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+2Cl"	69.938804
"1023014"	95.016352	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2Cl"	69.938804
"1247332"	199.012785	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Br"	78.918885
"1310876"	201.068772	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Cl+HCOOH"	80.974872
"1326185"	223.050729	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Cl+NaCOOH"	102.956829
"915056"	233.079486	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M-H+CF3COOH"	112.985586
"1297236"	269.056164	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Cl+CF3COOH"	148.962264
"1370665"	85.081224	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H-2H2O"	-35.012676
"1384151"	103.0912	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H-H2O"	-17.0027
"290404"	241.195076	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+H"	1.007276
"679544"	361.288976	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+H"	1.007276
"1352972"	121.101176	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H"	1.007276
"126223"	121.101176	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+2H"	2.014552
"569429"	181.148126	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+2H"	2.014552
"1040053"	61.054226	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2H"	2.014552
"206495"	81.069876	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+3H"	3.021828
"647152"	121.101176	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+3H"	3.021828
"1169288"	41.038576	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+3H"	3.021828
"428912"	258.221623	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+NH4"	18.033823
"786990"	378.315523	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+NH4"	18.033823
"1684416"	138.127723	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+NH4"	18.033823
"341445"	129.6144495	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+H+NH4"	19.041099
"733865"	189.6613995	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+H+NH4"	19.041099
"1482218"	69.5674995	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H+NH4"	19.041099
"397619"	263.177018	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+Na"	22.989218
"754726"	383.270918	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+Na"	22.989218
"1604892"	143.083118	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Na"	22.989218
"317845"	132.092147	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+H+Na"	23.996494
"711361"	192.139097	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+H+Na"	23.996494
"1465181"	72.045197	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H+Na"	23.996494
"1057333"	48.36589	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2H+Na"	25.00377
"1259374"	153.127386	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+CH3OH+H"	33.033486
"386335"	279.150958	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+K"	38.963158
"745144"	399.244858	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+K"	38.963158
"1554004"	159.057058	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+K"	38.963158
"310941"	140.079117	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+H+K"	39.970434
"702267"	200.126067	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+H+K"	39.970434
"1456090"	80.032167	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H+K"	39.970434
"247975"	282.221626	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+ACN+H"	42.033826
"1222871"	162.127726	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+ACN+H"	42.033826
"1207848"	81.567501	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+ACN+2H"	43.041102
"203636"	285.15896	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+2Na-H"	44.97116
"643690"	405.25286	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+2Na-H"	44.97116
"1146460"	165.06506	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2Na-H"	44.97116
"188335"	143.083118	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+2Na"	45.978436
"626641"	203.130068	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+2Na"	45.978436
"1127959"	83.036168	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2Na"	45.978436
"1411482"	55.693204	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H+2Na"	46.985712
"1442504"	167.106646	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H+HCOOH"	47.012746
"234385"	148.11614	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+3H2O+2H"	56.04448
"1518073"	181.15869	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+H"	61.06479
"422868"	151.070088	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+Na+K"	61.952376
"776573"	211.117038	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+Na+K"	61.952376
"1668529"	91.023138	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Na+K"	61.952376
"260518"	304.203568	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+ACN+Na"	64.015768
"1233227"	184.109668	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+ACN+Na"	64.015768
"1721025"	184.133193	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+NH4+HCOOH"	64.039293
"1185291"	63.020518	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+3Na"	68.967654
"1660650"	189.088588	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Na+HCOOH"	68.994688
"167511"	317.10684	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+2K-H"	76.91904
"605978"	437.20074	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+2K-H"	76.91904
"1098631"	197.01294	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2K-H"	76.91904
"151681"	159.057058	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"2M+2K"	77.926316
"596761"	219.104008	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"3M+2K"	77.926316
"1082196"	99.010108	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2K"	77.926316
"1110058"	199.027492	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2K+H"	78.933592
"1339151"	199.115107	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+DMSO+H"	79.021207
"1019354"	203.154276	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2ACN+H"	83.060376
"1536384"	204.147908	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+IsoProp+Na+H"	84.054008
"1001739"	102.080776	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+2ACN+2H"	84.067652
"1599522"	205.062528	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+K+HCOOH"	84.968628
"1427367"	235.094038	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+H+CF3COOH"	115.000138
"1162479"	122.594051	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+3ACN+2H"	125.094202
"1710488"	252.120585	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+NH4+CF3COOH"	132.026685
"1646137"	257.07598	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+Na+CF3COOH"	136.98208
"1572067"	273.04992	"C14572"	"2-Ethyltoluene;o-Methylethylbenzene;1-Ethyl-2-methylbenzene"	"C9H12"	"120.0939"	"M+K+CF3COOH"	152.95602
"802310"	323.8834	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M"	0
"979122"	304.86501	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-H2O-H"	-19.01839
"64086"	214.914990666667	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M-3H"	-3.021828
"509112"	322.876124	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M-3H"	-3.021828
"881447"	106.953857333333	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-3H"	-3.021828
"2209"	322.876124	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M-2H"	-2.014552
"454166"	484.817824	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M-2H"	-2.014552
"832212"	160.934424	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-2H"	-2.014552
"93663"	646.759524	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M-H"	-1.007276
"531885"	970.642924	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M-H"	-1.007276
"904583"	322.876124	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-H"	-1.007276
"61391"	663.786071	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M-2H+NH4"	16.019271
"496334"	987.669471	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M-2H+NH4"	16.019271
"869759"	339.902671	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-2H+NH4"	16.019271
"35473"	668.741466	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M-2H+Na"	20.974666
"472845"	992.624866	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M-2H+Na"	20.974666
"857210"	344.858066	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-2H+Na"	20.974666
"1619209"	344.858066	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Na-2H"	20.974666
"94644"	340.864463	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M-H+Cl"	33.962126
"545025"	502.806163	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M-H+Cl"	33.962126
"934165"	178.922763	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-H+Cl"	33.962126
"272722"	682.736202	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+Cl"	34.969402
"669520"	1006.619602	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+Cl"	34.969402
"1277556"	358.852802	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Cl"	34.969402
"24487"	684.715406	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M-2H+K"	36.948606
"456145"	1008.598806	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M-2H+K"	36.948606
"838933"	360.832006	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-2H+K"	36.948606
"1557319"	360.832006	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+K-2H"	36.948606
"948119"	368.881594	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-H+HCOOH"	44.998194
"365240"	692.765001	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+HCOOH-H"	44.998201
"349851"	706.780651	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+Hac-H"	59.013851
"1499049"	382.897251	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Hac-H"	59.013851
"962945"	390.863551	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-H+NaCOOH"	66.980151
"114401"	358.852802	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+2Cl"	69.938804
"551775"	520.794502	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+2Cl"	69.938804
"1021543"	196.911102	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2Cl"	69.938804
"1244162"	402.802285	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Br"	78.918885
"1306610"	404.858272	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Cl+HCOOH"	80.974872
"1324108"	426.840229	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Cl+NaCOOH"	102.956829
"916261"	436.868986	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M-H+CF3COOH"	112.985586
"1289811"	472.845664	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Cl+CF3COOH"	148.962264
"1369682"	288.870724	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H-2H2O"	-35.012676
"1383774"	306.8807	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H-H2O"	-17.0027
"290514"	648.774076	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+H"	1.007276
"682204"	972.657476	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+H"	1.007276
"1351865"	324.890676	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H"	1.007276
"127064"	324.890676	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+2H"	2.014552
"568811"	486.832376	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+2H"	2.014552
"1040528"	162.948976	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2H"	2.014552
"208429"	216.929542666667	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+3H"	3.021828
"646898"	324.890676	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+3H"	3.021828
"1168305"	108.968409333333	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+3H"	3.021828
"426471"	665.800623	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+NH4"	18.033823
"786736"	989.684023	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+NH4"	18.033823
"1684162"	341.917223	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+NH4"	18.033823
"341555"	333.4039495	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+H+NH4"	19.041099
"733975"	495.3456495	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+H+NH4"	19.041099
"1482328"	171.4622495	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H+NH4"	19.041099
"401009"	670.756018	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+Na"	22.989218
"757632"	994.639418	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+Na"	22.989218
"1604880"	346.872618	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Na"	22.989218
"317955"	335.881647	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+H+Na"	23.996494
"713658"	497.823347	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+H+Na"	23.996494
"1467478"	173.939947	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H+Na"	23.996494
"1057442"	116.295723333333	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2H+Na"	25.00377
"1259120"	356.916886	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+CH3OH+H"	33.033486
"387174"	686.729958	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+K"	38.963158
"744160"	1010.613358	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+K"	38.963158
"1552776"	362.846558	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+K"	38.963158
"309957"	343.868617	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+H+K"	39.970434
"704200"	505.810317	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+H+K"	39.970434
"1457293"	181.926917	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H+K"	39.970434
"246990"	689.800626	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+ACN+H"	42.033826
"1224074"	365.917226	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+ACN+H"	42.033826
"1205771"	183.462251	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+ACN+2H"	43.041102
"201922"	692.73796	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+2Na-H"	44.97116
"638201"	1016.62136	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+2Na-H"	44.97116
"1145718"	368.85456	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2Na-H"	44.97116
"186089"	346.872618	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+2Na"	45.978436
"626022"	508.814318	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+2Na"	45.978436
"1129527"	184.930918	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2Na"	45.978436
"1409404"	123.623037333333	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H+2Na"	46.985712
"1438240"	370.896146	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H+HCOOH"	47.012746
"233402"	351.90564	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+3H2O+2H"	56.04448
"1517091"	384.94819	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+IsoProp+H"	61.06479
"421885"	354.859588	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+Na+K"	61.952376
"776683"	516.801288	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+Na+K"	61.952376
"1666453"	192.917888	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Na+K"	61.952376
"260628"	711.782568	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+ACN+Na"	64.015768
"1233337"	387.899168	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+ACN+Na"	64.015768
"1725507"	387.922693	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+NH4+HCOOH"	64.039293
"1183214"	130.950351333333	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+3Na"	68.967654
"1659667"	392.878088	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Na+HCOOH"	68.994688
"167621"	724.68584	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+2K-H"	76.91904
"604995"	1048.56924	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+2K-H"	76.91904
"1096067"	400.80244	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2K-H"	76.91904
"156041"	362.846558	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"2M+2K"	77.926316
"596786"	524.788258	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"3M+2K"	77.926316
"1083036"	200.904858	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2K"	77.926316
"1110168"	402.816992	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2K+H"	78.933592
"1338895"	402.904607	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+DMSO+H"	79.021207
"1020315"	406.943776	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2ACN+H"	83.060376
"1537345"	407.937408	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+IsoProp+Na+H"	84.054008
"1002941"	203.975526	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+2ACN+2H"	84.067652
"1601089"	408.852028	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+K+HCOOH"	84.968628
"1427842"	438.883538	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+H+CF3COOH"	115.000138
"1162630"	224.488801	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+3ACN+2H"	125.094202
"1710598"	455.910085	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+NH4+CF3COOH"	132.026685
"1644060"	460.86548	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+Na+CF3COOH"	136.98208
"1572177"	476.83942	"C14573"	"33445-Pentachlorobiphenyl;PCB 126"	"C12H5Cl5"	"323.8834"	"M+K+CF3COOH"	152.95602
"805700"	324.032	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M"	0
"982512"	305.01361	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-H2O-H"	-19.01839
"64196"	215.014057333333	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M-3H"	-3.021828
"505942"	323.024724	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M-3H"	-3.021828
"881557"	107.003390666667	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-3H"	-3.021828
"1225"	323.024724	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M-2H"	-2.014552
"451725"	485.040724	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M-2H"	-2.014552
"830500"	161.008724	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-2H"	-2.014552
"92437"	647.056724	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M-H"	-1.007276
"530172"	971.088724	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M-H"	-1.007276
"905786"	323.024724	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-H"	-1.007276
"54693"	664.083271	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M-2H+NH4"	16.019271
"496444"	988.115271	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M-2H+NH4"	16.019271
"870962"	340.051271	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-2H+NH4"	16.019271
"34853"	669.038666	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M-2H+Na"	20.974666
"477327"	993.070666	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M-2H+Na"	20.974666
"852215"	345.006666	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-2H+Na"	20.974666
"1621748"	345.006666	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Na-2H"	20.974666
"97911"	341.013063	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M-H+Cl"	33.962126
"545135"	503.029063	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M-H+Cl"	33.962126
"933182"	178.997063	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-H+Cl"	33.962126
"271739"	683.033402	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+Cl"	34.969402
"669630"	1007.065402	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+Cl"	34.969402
"1274386"	359.001402	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Cl"	34.969402
"25690"	685.012606	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M-2H+K"	36.948606
"455753"	1009.044606	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M-2H+K"	36.948606
"844146"	360.980606	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-2H+K"	36.948606
"1556700"	360.980606	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+K-2H"	36.948606
"946772"	369.030194	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-H+HCOOH"	44.998194
"364988"	693.062201	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+HCOOH-H"	44.998201
"347046"	707.077851	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+Hac-H"	59.013851
"1496609"	383.045851	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Hac-H"	59.013851
"963055"	391.012151	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-H+NaCOOH"	66.980151
"114148"	359.001402	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+2Cl"	69.938804
"554801"	521.017402	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+2Cl"	69.938804
"1022870"	196.985402	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2Cl"	69.938804
"1247552"	402.950885	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Br"	78.918885
"1311093"	405.006872	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Cl+HCOOH"	80.974872
"1329685"	426.988829	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Cl+NaCOOH"	102.956829
"919651"	437.017586	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M-H+CF3COOH"	112.985586
"1295267"	472.994264	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Cl+CF3COOH"	148.962264
"1371249"	289.019324	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H-2H2O"	-35.012676
"1387650"	307.0293	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H-H2O"	-17.0027
"286245"	649.071276	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+H"	1.007276
"681221"	973.103276	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+H"	1.007276
"1352828"	325.039276	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H"	1.007276
"127176"	325.039276	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+2H"	2.014552
"567829"	487.055276	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+2H"	2.014552
"1041733"	163.023276	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2H"	2.014552
"209633"	217.028609333333	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+3H"	3.021828
"647008"	325.039276	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+3H"	3.021828
"1168415"	109.017942666667	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+3H"	3.021828
"428405"	666.097823	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+NH4"	18.033823
"788671"	990.129823	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+NH4"	18.033823
"1689012"	342.065823	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+NH4"	18.033823
"344945"	333.5525495	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+H+NH4"	19.041099
"734085"	495.5685495	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+H+NH4"	19.041099
"1484625"	171.5365495	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H+NH4"	19.041099
"397839"	671.053218	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+Na"	22.989218
"755556"	995.085218	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+Na"	22.989218
"1604748"	347.021218	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Na"	22.989218
"316972"	336.030247	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+H+Na"	23.996494
"714861"	498.046247	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+H+Na"	23.996494
"1469774"	174.014247	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H+Na"	23.996494
"1057552"	116.345256666667	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2H+Na"	25.00377
"1257650"	357.065486	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+CH3OH+H"	33.033486
"384368"	687.027158	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+K"	38.963158
"747550"	1011.059158	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+K"	38.963158
"1551794"	362.995158	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+K"	38.963158
"306786"	344.017217	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+H+K"	39.970434
"702853"	506.033217	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+H+K"	39.970434
"1458862"	182.001217	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H+K"	39.970434
"248559"	690.097826	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+ACN+H"	42.033826
"1223456"	366.065826	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+ACN+H"	42.033826
"1206611"	183.536551	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+ACN+2H"	43.041102
"197659"	693.03516	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+2Na-H"	44.97116
"641229"	1017.06716	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+2Na-H"	44.97116
"1145950"	369.00316	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2Na-H"	44.97116
"186809"	347.021218	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+2Na"	45.978436
"625403"	509.037218	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+2Na"	45.978436
"1128181"	185.005218	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2Na"	45.978436
"1405506"	123.672570666667	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H+2Na"	46.985712
"1441632"	371.044746	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H+HCOOH"	47.012746
"229138"	352.05424	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+3H2O+2H"	56.04448
"1517930"	385.09679	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+IsoProp+H"	61.06479
"413611"	355.008188	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+Na+K"	61.952376
"776793"	517.024188	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+Na+K"	61.952376
"1669843"	192.992188	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Na+K"	61.952376
"252715"	712.079768	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+ACN+Na"	64.015768
"1227613"	388.047768	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+ACN+Na"	64.015768
"1719055"	388.071293	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+NH4+HCOOH"	64.039293
"1186604"	130.999884666667	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+3Na"	68.967654
"1657590"	393.026688	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Na+HCOOH"	68.994688
"165544"	724.98304	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+2K-H"	76.91904
"610571"	1049.01504	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+2K-H"	76.91904
"1097270"	400.95104	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2K-H"	76.91904
"152991"	362.995158	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"2M+2K"	77.926316
"595838"	525.011158	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"3M+2K"	77.926316
"1082537"	200.979158	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2K"	77.926316
"1110278"	402.965592	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2K+H"	78.933592
"1337304"	403.053207	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+DMSO+H"	79.021207
"1020909"	407.092376	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2ACN+H"	83.060376
"1539035"	408.086008	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+IsoProp+Na+H"	84.054008
"1003051"	204.049826	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+2ACN+2H"	84.067652
"1601199"	409.000628	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+K+HCOOH"	84.968628
"1427588"	439.032138	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+H+CF3COOH"	115.000138
"1162712"	224.563101	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+3ACN+2H"	125.094202
"1708521"	456.058685	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+NH4+CF3COOH"	132.026685
"1644170"	461.01408	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+Na+CF3COOH"	136.98208
"1572166"	476.98802	"C14574"	"Chlorobenzilate;Ethyl-44-dichlorobenzilate;Ethyl 2-hydroxy-22-bis(4-chlorophenyl)acetate"	"C16H14Cl2O3"	"324.032"	"M+K+CF3COOH"	152.95602
"805810"	362.2457	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M"	0
"984810"	343.22731	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-H2O-H"	-19.01839
"71961"	240.489857333333	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M-3H"	-3.021828
"512613"	361.238424	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M-3H"	-3.021828
"887135"	119.741290666667	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-3H"	-3.021828
"3522"	361.238424	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M-2H"	-2.014552
"450742"	542.361274	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M-2H"	-2.014552
"829638"	180.115574	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-2H"	-2.014552
"89630"	723.484124	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M-H"	-1.007276
"530282"	1085.729824	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M-H"	-1.007276
"903709"	361.238424	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-H"	-1.007276
"54803"	740.510671	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M-2H+NH4"	16.019271
"497646"	1102.756371	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M-2H+NH4"	16.019271
"871072"	378.264971	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-2H+NH4"	16.019271
"35327"	745.466066	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M-2H+Na"	20.974666
"479624"	1107.711766	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M-2H+Na"	20.974666
"853054"	383.220366	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-2H+Na"	20.974666
"1623680"	383.220366	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Na-2H"	20.974666
"100209"	379.226763	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M-H+Cl"	33.962126
"544152"	560.349613	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M-H+Cl"	33.962126
"932199"	198.103913	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-H+Cl"	33.962126
"270756"	759.460802	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+Cl"	34.969402
"669740"	1121.706502	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+Cl"	34.969402
"1276683"	397.215102	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Cl"	34.969402
"25800"	761.440006	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M-2H+K"	36.948606
"457705"	1123.685706	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M-2H+K"	36.948606
"846080"	399.194306	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-2H+K"	36.948606
"1559363"	399.194306	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+K-2H"	36.948606
"945789"	407.243894	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-H+HCOOH"	44.998194
"368378"	769.489601	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+HCOOH-H"	44.998201
"351167"	783.505251	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+Hac-H"	59.013851
"1496719"	421.259551	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Hac-H"	59.013851
"964259"	429.225851	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-H+NaCOOH"	66.980151
"114258"	397.215102	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+2Cl"	69.938804
"553818"	578.337952	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+2Cl"	69.938804
"1024803"	216.092252	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2Cl"	69.938804
"1246569"	441.164585	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Br"	78.918885
"1309017"	443.220572	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Cl+HCOOH"	80.974872
"1332350"	465.202529	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Cl+NaCOOH"	102.956829
"919762"	475.231286	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M-H+CF3COOH"	112.985586
"1295377"	511.207964	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Cl+CF3COOH"	148.962264
"1371353"	327.233024	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H-2H2O"	-35.012676
"1386665"	345.243	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H-H2O"	-17.0027
"293646"	725.498676	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+H"	1.007276
"679874"	1087.744376	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+H"	1.007276
"1352574"	363.252976	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H"	1.007276
"131296"	363.252976	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+2H"	2.014552
"568669"	544.375826	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+2H"	2.014552
"1042935"	182.130126	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2H"	2.014552
"210836"	242.504409333333	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+3H"	3.021828
"653678"	363.252976	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+3H"	3.021828
"1169618"	121.755842666667	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+3H"	3.021828
"429608"	742.525223	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+NH4"	18.033823
"788417"	1104.770923	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+NH4"	18.033823
"1691309"	380.279523	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+NH4"	18.033823
"343962"	371.7662495	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+H+NH4"	19.041099
"730916"	552.8890995	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+H+NH4"	19.041099
"1481454"	190.6433995	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H+NH4"	19.041099
"401230"	747.480618	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+Na"	22.989218
"757855"	1109.726318	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+Na"	22.989218
"1610327"	385.234918	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Na"	22.989218
"324737"	374.243947	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+H+Na"	23.996494
"716796"	555.366797	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+H+Na"	23.996494
"1469884"	193.121097	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H+Na"	23.996494
"1056569"	129.083156666667	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2H+Na"	25.00377
"1258247"	395.279186	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+CH3OH+H"	33.033486
"384478"	763.454558	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+K"	38.963158
"744380"	1125.700258	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+K"	38.963158
"1552633"	401.208858	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+K"	38.963158
"308719"	382.230917	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+H+K"	39.970434
"702963"	563.353767	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+H+K"	39.970434
"1459705"	201.108067	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H+K"	39.970434
"250618"	766.525226	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+ACN+H"	42.033826
"1224541"	404.279526	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+ACN+H"	42.033826
"1208544"	202.643401	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+ACN+2H"	43.041102
"202144"	769.46256	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+2Na-H"	44.97116
"641705"	1131.70826	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+2Na-H"	44.97116
"1145826"	407.21686	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2Na-H"	44.97116
"185586"	385.234918	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+2Na"	45.978436
"625148"	566.357768	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+2Na"	45.978436
"1127926"	204.112068	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2Na"	45.978436
"1409261"	136.410470666667	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H+2Na"	46.985712
"1442836"	409.258446	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H+HCOOH"	47.012746
"230707"	390.26794	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+3H2O+2H"	56.04448
"1518040"	423.31049	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+IsoProp+H"	61.06479
"413721"	393.221888	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+Na+K"	61.952376
"777998"	574.344738	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+Na+K"	61.952376
"1674692"	212.099038	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Na+K"	61.952376
"256473"	788.507168	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+ACN+Na"	64.015768
"1227723"	426.261468	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+ACN+Na"	64.015768
"1722446"	426.284993	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+NH4+HCOOH"	64.039293
"1186714"	143.737784666667	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+3Na"	68.967654
"1657700"	431.240388	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Na+HCOOH"	68.994688
"168935"	801.41044	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+2K-H"	76.91904
"611898"	1163.65614	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+2K-H"	76.91904
"1095193"	439.16474	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2K-H"	76.91904
"153101"	401.208858	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"2M+2K"	77.926316
"593761"	582.331708	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"3M+2K"	77.926316
"1074992"	220.086008	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2K"	77.926316
"1103827"	441.179292	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2K+H"	78.933592
"1339480"	441.266907	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+DMSO+H"	79.021207
"1019438"	445.306076	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2ACN+H"	83.060376
"1536712"	446.299708	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+IsoProp+Na+H"	84.054008
"1002066"	223.156676	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+2ACN+2H"	84.067652
"1600944"	447.214328	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+K+HCOOH"	84.968628
"1427698"	477.245838	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+H+CF3COOH"	115.000138
"1160176"	243.669951	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+3ACN+2H"	125.094202
"1710818"	494.272385	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+NH4+CF3COOH"	132.026685
"1644280"	499.22778	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+Na+CF3COOH"	136.98208
"1573369"	515.20172	"C14575"	"Di-n-heptyl phthalate"	"C22H34O4"	"362.2457"	"M+K+CF3COOH"	152.95602
"812481"	268.0888	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M"	0
"988202"	249.07041	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"77829"	177.718590666667	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"517469"	267.081524	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"893807"	88.3556573333333	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"5820"	267.081524	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"451945"	401.125924	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"832545"	133.037124	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"89737"	535.170324	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"531486"	803.259124	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"910626"	267.081524	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"57100"	552.196871	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"496663"	820.285671	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"873369"	284.108071	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"37989"	557.152266	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"478641"	825.241066	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"853164"	289.063466	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1621606"	289.063466	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"97039"	285.069863	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"542075"	419.114263	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"931215"	151.025463	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"270867"	571.147002	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"663289"	839.235802	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1276794"	303.058202	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"28098"	573.126206	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"464376"	841.215006	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"846555"	305.037406	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1562391"	305.037406	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"946993"	313.086994	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"367395"	581.175801	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"350183"	595.191451	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1499016"	327.102651	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"964368"	335.068951	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"118741"	303.058202	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"553928"	437.102602	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1028194"	169.013802	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1249960"	347.007685	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1313503"	349.063672	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1331001"	371.045629	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"920967"	381.074386	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1297676"	417.051064	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1376932"	233.076124	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1384587"	251.0861	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"287558"	537.184876	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"678887"	805.273676	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1355602"	269.096076	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H"	1.007276
"128490"	269.096076	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"568778"	403.140476	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1041952"	135.051676	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"213133"	179.733142666667	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"657070"	269.096076	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1171915"	90.3702093333333	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"429718"	554.211423	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"789620"	822.300223	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1688138"	286.122623	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"337510"	277.6093495	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"726285"	411.6537495	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1482658"	143.5649495	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"403528"	559.166818	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"763432"	827.255618	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1613718"	291.078018	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"325945"	280.087047	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"718366"	414.131447	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1471090"	146.042647	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1062876"	97.6975233333333	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1259085"	301.122286	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"388963"	575.140758	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"743395"	843.229558	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1553471"	307.051958	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K"	38.963158
"310286"	288.074017	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"706996"	422.118417	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1460540"	154.029617	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"250237"	578.211426	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1225381"	310.122626	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1209507"	155.564951	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"203962"	581.14876	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"643279"	849.23756	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1146054"	313.05996	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"187764"	291.078018	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"625627"	425.122418	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1128404"	157.033618	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1410831"	105.024837333333	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1442216"	315.101546	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"233735"	296.11104	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1522161"	329.15359	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"418571"	299.064988	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"782848"	433.109388	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1676626"	165.020588	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"260958"	600.193368	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1231481"	332.104568	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1721462"	332.128093	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1183543"	112.352151333333	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1655623"	337.083488	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"163577"	613.09664	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"609697"	881.18544	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1088743"	345.00784	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"149931"	307.051958	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"590590"	441.096358	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1078382"	173.007558	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1105030"	347.022392	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1340319"	347.110007	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1019669"	351.149176	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1537795"	352.142808	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"1003878"	176.078226	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1602026"	353.057428	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1427443"	383.088938	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1161015"	196.591501	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1710928"	400.115485	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1644390"	405.07088	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1572750"	421.04482	"C14576"	"6-Hydroxybenzoapyrene"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"802750"	390.277	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M"	0
"976283"	371.25861	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-H2O-H"	-19.01839
"68901"	259.177390666667	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M-3H"	-3.021828
"512833"	389.269724	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M-3H"	-3.021828
"887355"	129.085057333333	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-3H"	-3.021828
"338"	389.269724	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M-2H"	-2.014552
"447681"	584.408224	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M-2H"	-2.014552
"828764"	194.131224	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-2H"	-2.014552
"84380"	779.546724	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M-H"	-1.007276
"528316"	1169.823724	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M-H"	-1.007276
"905024"	389.269724	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-H"	-1.007276
"51743"	796.573271	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M-2H+NH4"	16.019271
"494586"	1186.850271	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M-2H+NH4"	16.019271
"868012"	406.296271	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-2H+NH4"	16.019271
"34819"	801.528666	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M-2H+Na"	20.974666
"478751"	1191.805666	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M-2H+Na"	20.974666
"852542"	411.251666	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-2H+Na"	20.974666
"1620257"	411.251666	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Na-2H"	20.974666
"98604"	407.258063	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M-H+Cl"	33.962126
"541079"	602.396563	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M-H+Cl"	33.962126
"933136"	212.119563	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-H+Cl"	33.962126
"268783"	815.523402	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+Cl"	34.969402
"661809"	1205.800402	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+Cl"	34.969402
"1280184"	425.246402	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Cl"	34.969402
"24926"	817.502606	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M-2H+K"	36.948606
"464486"	1207.779606	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M-2H+K"	36.948606
"847031"	427.225606	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-2H+K"	36.948606
"1562501"	427.225606	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+K-2H"	36.948606
"948196"	435.275194	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-H+HCOOH"	44.998194
"366412"	825.552201	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+HCOOH-H"	44.998201
"347740"	839.567851	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+Hac-H"	59.013851
"1499125"	449.290851	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Hac-H"	59.013851
"963385"	457.257151	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-H+NaCOOH"	66.980151
"116664"	425.246402	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+2Cl"	69.938804
"552944"	620.384902	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+2Cl"	69.938804
"1028303"	230.107902	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2Cl"	69.938804
"1247883"	469.195885	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Br"	78.918885
"1311425"	471.251872	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Cl+HCOOH"	80.974872
"1330016"	493.233829	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Cl+NaCOOH"	102.956829
"919984"	503.262586	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M-H+CF3COOH"	112.985586
"1297786"	539.239264	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Cl+CF3COOH"	148.962264
"1371938"	355.264324	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H-2H2O"	-35.012676
"1387248"	373.2743	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H-H2O"	-17.0027
"287668"	781.561276	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+H"	1.007276
"680089"	1171.838276	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+H"	1.007276
"1357534"	391.284276	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H"	1.007276
"130423"	391.284276	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+2H"	2.014552
"571440"	586.422776	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+2H"	2.014552
"1044249"	196.145776	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2H"	2.014552
"213243"	261.191942666667	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+3H"	3.021828
"654993"	391.284276	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+3H"	3.021828
"1170932"	131.099609333333	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+3H"	3.021828
"428735"	798.587823	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+NH4"	18.033823
"791188"	1188.864823	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+NH4"	18.033823
"1688248"	408.310823	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+NH4"	18.033823
"337620"	399.7975495	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+H+NH4"	19.041099
"727124"	594.9360495	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+H+NH4"	19.041099
"1481675"	204.6590495	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H+NH4"	19.041099
"397073"	803.543218	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+Na"	22.989218
"764637"	1193.820218	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+Na"	22.989218
"1612735"	413.266218	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Na"	22.989218
"327879"	402.275247	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+H+Na"	23.996494
"718843"	597.413747	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+H+Na"	23.996494
"1471200"	207.136747	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H+Na"	23.996494
"1061164"	138.426923333333	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2H+Na"	25.00377
"1259924"	423.310486	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+CH3OH+H"	33.033486
"389073"	819.517158	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+K"	38.963158
"742412"	1209.794158	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+K"	38.963158
"1553215"	429.240158	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+K"	38.963158
"308209"	410.262217	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+H+K"	39.970434
"706384"	605.400717	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+H+K"	39.970434
"1455545"	215.123717	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H+K"	39.970434
"251245"	822.587826	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+ACN+H"	42.033826
"1225252"	432.310826	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+ACN+H"	42.033826
"1209657"	216.659051	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+ACN+2H"	43.041102
"203703"	825.52516	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+2Na-H"	44.97116
"644036"	1215.80216	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+2Na-H"	44.97116
"1146161"	435.24816	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2Na-H"	44.97116
"187262"	413.266218	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+2Na"	45.978436
"626461"	608.404718	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+2Na"	45.978436
"1128510"	218.127718	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2Na"	45.978436
"1410573"	145.754237333333	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H+2Na"	46.985712
"1438679"	437.289746	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H+HCOOH"	47.012746
"233481"	418.29924	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+3H2O+2H"	56.04448
"1521178"	451.34179	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+IsoProp+H"	61.06479
"421961"	421.253188	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+Na+K"	61.952376
"783319"	616.391688	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+Na+K"	61.952376
"1676370"	226.114688	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Na+K"	61.952376
"261798"	844.569768	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+ACN+Na"	64.015768
"1231590"	454.292768	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+ACN+Na"	64.015768
"1722666"	454.316293	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+NH4+HCOOH"	64.039293
"1186933"	153.081551333333	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+3Na"	68.967654
"1659013"	459.271688	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Na+HCOOH"	68.994688
"170247"	857.47304	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+2K-H"	76.91904
"610902"	1247.75004	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+2K-H"	76.91904
"1088853"	467.19604	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2K-H"	76.91904
"153321"	429.240158	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"2M+2K"	77.926316
"590700"	624.378658	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"3M+2K"	77.926316
"1081772"	234.101658	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2K"	77.926316
"1105140"	469.210592	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2K+H"	78.933592
"1337634"	469.298207	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+DMSO+H"	79.021207
"1020755"	473.337376	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2ACN+H"	83.060376
"1537663"	474.331008	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+IsoProp+Na+H"	84.054008
"1003379"	237.172326	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+2ACN+2H"	84.067652
"1602015"	475.245628	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+K+HCOOH"	84.968628
"1427553"	505.277138	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+H+CF3COOH"	115.000138
"1160396"	257.685601	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+3ACN+2H"	125.094202
"1711038"	522.303685	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+NH4+CF3COOH"	132.026685
"1644500"	527.25908	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+Na+CF3COOH"	136.98208
"1572860"	543.23302	"C14577"	"Diisooctyl phthalate"	"C24H38O4"	"390.277"	"M+K+CF3COOH"	152.95602
"809421"	446.3396	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M"	0
"985141"	427.32121	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-H2O-H"	-19.01839
"72293"	296.552457333333	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M-3H"	-3.021828
"517972"	445.332324	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M-3H"	-3.021828
"886374"	147.772590666667	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-3H"	-3.021828
"4946"	445.332324	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M-2H"	-2.014552
"447791"	668.502124	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M-2H"	-2.014552
"826686"	222.162524	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-2H"	-2.014552
"86677"	891.671924	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M-H"	-1.007276
"531706"	1338.011524	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M-H"	-1.007276
"905134"	445.332324	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-H"	-1.007276
"54039"	908.698471	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M-2H+NH4"	16.019271
"494696"	1355.038071	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M-2H+NH4"	16.019271
"870308"	462.358871	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-2H+NH4"	16.019271
"37116"	913.653866	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M-2H+Na"	20.974666
"479954"	1359.993466	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M-2H+Na"	20.974666
"854474"	467.314266	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-2H+Na"	20.974666
"1622189"	467.314266	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Na-2H"	20.974666
"99445"	463.320663	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M-H+Cl"	33.962126
"539006"	686.490463	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M-H+Cl"	33.962126
"931428"	240.150863	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-H+Cl"	33.962126
"267722"	927.648602	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+Cl"	34.969402
"663508"	1373.988202	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+Cl"	34.969402
"1280294"	481.309002	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Cl"	34.969402
"21756"	929.627806	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M-2H+K"	36.948606
"458036"	1375.967406	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M-2H+K"	36.948606
"843494"	483.288206	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-2H+K"	36.948606
"1558236"	483.288206	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+K-2H"	36.948606
"944295"	491.337794	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-H+HCOOH"	44.998194
"366517"	937.677401	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+HCOOH-H"	44.998201
"353682"	951.693051	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+Hac-H"	59.013851
"1501418"	505.353451	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Hac-H"	59.013851
"961304"	513.319751	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-H+NaCOOH"	66.980151
"115680"	481.309002	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+2Cl"	69.938804
"553053"	704.478802	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+2Cl"	69.938804
"1030599"	258.139202	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2Cl"	69.938804
"1247993"	525.258485	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Br"	78.918885
"1311534"	527.314472	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Cl+HCOOH"	80.974872
"1326847"	549.296429	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Cl+NaCOOH"	102.956829
"917906"	559.325186	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M-H+CF3COOH"	112.985586
"1297896"	595.301864	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Cl+CF3COOH"	148.962264
"1374964"	411.326924	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H-2H2O"	-35.012676
"1390274"	429.3369	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H-H2O"	-17.0027
"287778"	893.686476	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+H"	1.007276
"681293"	1340.026076	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+H"	1.007276
"1354726"	447.346876	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H"	1.007276
"127615"	447.346876	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+2H"	2.014552
"568998"	670.516676	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+2H"	2.014552
"1042171"	224.177076	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2H"	2.014552
"208979"	298.567009333333	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+3H"	3.021828
"652913"	447.346876	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+3H"	3.021828
"1167758"	149.787142666667	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+3H"	3.021828
"431029"	910.713023	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+NH4"	18.033823
"793116"	1357.052623	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+NH4"	18.033823
"1685075"	464.373423	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+NH4"	18.033823
"341012"	455.8601495	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+H+NH4"	19.041099
"731246"	679.0299495	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+H+NH4"	19.041099
"1487254"	232.6903495	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H+NH4"	19.041099
"400465"	915.668418	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+Na"	22.989218
"764748"	1362.008018	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+Na"	22.989218
"1615032"	469.328818	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Na"	22.989218
"326166"	458.337847	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+H+Na"	23.996494
"717491"	681.507647	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+H+Na"	23.996494
"1470216"	235.168047	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H+Na"	23.996494
"1059087"	157.114456666667	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2H+Na"	25.00377
"1262950"	479.373086	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+CH3OH+H"	33.033486
"382621"	931.642358	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+K"	38.963158
"743617"	1377.981958	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+K"	38.963158
"1553934"	485.302758	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+K"	38.963158
"308319"	466.324817	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+H+K"	39.970434
"702562"	689.494617	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+H+K"	39.970434
"1452374"	243.155017	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H+K"	39.970434
"247174"	934.713026	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+ACN+H"	42.033826
"1223528"	488.373426	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+ACN+H"	42.033826
"1209239"	244.690351	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+ACN+2H"	43.041102
"204140"	937.65036	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+2Na-H"	44.97116
"643497"	1383.98996	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+2Na-H"	44.97116
"1145542"	491.31076	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2Na-H"	44.97116
"186279"	469.328818	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+2Na"	45.978436
"625478"	692.498618	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+2Na"	45.978436
"1127525"	246.159018	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2Na"	45.978436
"1408497"	164.441770666667	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H+2Na"	46.985712
"1440248"	493.352346	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H+HCOOH"	47.012746
"231769"	474.36184	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+3H2O+2H"	56.04448
"1522384"	507.40439	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+IsoProp+H"	61.06479
"421336"	477.315788	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+Na+K"	61.952376
"776133"	700.485588	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+Na+K"	61.952376
"1674288"	254.145988	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Na+K"	61.952376
"263369"	956.694968	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+ACN+Na"	64.015768
"1231700"	510.355368	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+ACN+Na"	64.015768
"1722776"	510.378893	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+NH4+HCOOH"	64.039293
"1182668"	171.769084666667	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+3Na"	68.967654
"1654749"	515.334288	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Na+HCOOH"	68.994688
"165984"	969.59824	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+2K-H"	76.91904
"607730"	1415.93784	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+2K-H"	76.91904
"1088597"	523.25864	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2K-H"	76.91904
"149057"	485.302758	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"2M+2K"	77.926316
"590810"	708.472558	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"3M+2K"	77.926316
"1078602"	262.132958	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2K"	77.926316
"1106343"	525.273192	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2K+H"	78.933592
"1339444"	525.360807	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+DMSO+H"	79.021207
"1020377"	529.399976	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2ACN+H"	83.060376
"1537043"	530.393608	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+IsoProp+Na+H"	84.054008
"1003490"	265.203626	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+2ACN+2H"	84.067652
"1601152"	531.308228	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+K+HCOOH"	84.968628
"1425838"	561.339738	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+H+CF3COOH"	115.000138
"1160870"	285.716901	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+3ACN+2H"	125.094202
"1707867"	578.366285	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+NH4+CF3COOH"	132.026685
"1644610"	583.32168	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+Na+CF3COOH"	136.98208
"1574063"	599.29562	"C14578"	"Diisodecyl phthalate"	"C28H46O4"	"446.3396"	"M+K+CF3COOH"	152.95602
"802970"	179.0946	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M"	0
"976502"	160.07621	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"76775"	118.389124	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"515241"	178.087324	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"893042"	58.690924	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"2871"	178.087324	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"448994"	267.634624	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"826796"	88.540024	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"85694"	357.181924	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"532306"	536.276524	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"907430"	178.087324	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"54150"	374.208471	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"494806"	553.303071	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"868959"	195.113871	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"38320"	379.163866	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"480064"	558.258466	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"854586"	200.069266	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1627399"	200.069266	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"101012"	196.075663	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"538022"	285.622963	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"934817"	106.528363	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"267914"	393.158602	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"663618"	572.253202	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1284776"	214.064002	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"27334"	395.137806	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"459239"	574.232406	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"842510"	216.043206	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1559440"	216.043206	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"952789"	224.092794	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"366629"	403.187401	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"356708"	417.203051	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1501530"	238.108451	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"963603"	246.074751	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"115789"	214.064002	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"554256"	303.611302	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1021964"	124.516702	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1245916"	258.013485	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1310551"	260.069472	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1326957"	282.051429	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"920203"	292.080186	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1298006"	328.056864	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1373981"	144.081924	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1390386"	162.0919	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"295909"	359.196476	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"684684"	538.291076	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1358847"	180.101876	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"130643"	180.101876	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"571296"	269.649176	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1047021"	90.554576	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"213463"	120.403676	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"650837"	180.101876	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1166774"	60.705476	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"433326"	376.223023	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"794320"	555.317623	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1687371"	197.128423	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"338936"	188.6151495	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"730263"	278.1624495	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1486271"	99.0678495	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"395107"	381.178418	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"765589"	560.273018	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1615509"	202.083818	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"325912"	191.092847	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"719788"	280.640147	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1470326"	101.545547	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1060290"	68.03279	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1263062"	212.128086	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"383824"	397.152358	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"744820"	576.246958	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1545781"	218.057758	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"306242"	199.079817	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"700486"	288.627117	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1449204"	109.532517	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"246920"	400.223026	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1225100"	221.128426	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1209229"	111.067851	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"203559"	403.16036	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"642512"	582.25496	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1144557"	224.06576	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"187120"	202.083818	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"626318"	291.631118	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1128730"	112.536518	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1407879"	75.360104	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1439994"	226.107346	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"232242"	207.11684	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1519937"	240.15939	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"419621"	210.070788	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"775150"	299.618088	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1673669"	120.523488	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"254718"	422.204968	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1233999"	243.110368	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1719606"	243.133893	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1183868"	82.687418	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1657045"	248.089288	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"167187"	435.10824	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"605653"	614.20284	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1090165"	256.01364	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"146980"	218.057758	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"590920"	307.605058	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1078712"	128.510458	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1105360"	258.028192	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1339554"	258.115807	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1020121"	262.154976	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1538976"	263.148608	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"1002507"	131.581126	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1599197"	264.063228	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1428502"	294.094738	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1161709"	152.094401	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1709072"	311.121285	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1644720"	316.07668	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1574173"	332.05062	"C14579"	"Xylylcarb;34-Dimethylphenyl methylcarbamate;Meobal;MPMC"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"803080"	313.0538	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M"	0
"976977"	294.03541	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-H2O-H"	-19.01839
"77250"	207.695257333333	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M-3H"	-3.021828
"515351"	312.046524	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M-3H"	-3.021828
"890964"	103.343990666667	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-3H"	-3.021828
"5168"	312.046524	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M-2H"	-2.014552
"442541"	468.573424	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M-2H"	-2.014552
"825814"	155.519624	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-2H"	-2.014552
"87991"	625.100324	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M-H"	-1.007276
"530835"	938.154124	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M-H"	-1.007276
"906447"	312.046524	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-H"	-1.007276
"58634"	642.126871	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M-2H+NH4"	16.019271
"496009"	955.180671	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M-2H+NH4"	16.019271
"869798"	329.073071	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-2H+NH4"	16.019271
"39522"	647.082266	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M-2H+Na"	20.974666
"480175"	960.136066	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M-2H+Na"	20.974666
"855424"	334.028466	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-2H+Na"	20.974666
"1627510"	334.028466	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Na-2H"	20.974666
"101850"	330.034863	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M-H+Cl"	33.962126
"540681"	486.561763	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M-H+Cl"	33.962126
"932741"	173.507963	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-H+Cl"	33.962126
"267659"	661.077002	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+Cl"	34.969402
"663728"	974.130802	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+Cl"	34.969402
"1285982"	348.023202	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Cl"	34.969402
"29267"	663.056206	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M-2H+K"	36.948606
"461536"	976.110006	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M-2H+K"	36.948606
"842620"	350.002406	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-2H+K"	36.948606
"1568294"	350.002406	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+K-2H"	36.948606
"953992"	358.051994	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-H+HCOOH"	44.998194
"373299"	671.105801	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+HCOOH-H"	44.998201
"356818"	685.121451	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+Hac-H"	59.013851
"1501640"	372.067651	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Hac-H"	59.013851
"963713"	380.033951	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-H+NaCOOH"	66.980151
"115899"	348.023202	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+2Cl"	69.938804
"553272"	504.550102	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+2Cl"	69.938804
"1022438"	191.496302	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2Cl"	69.938804
"1249307"	391.972685	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Br"	78.918885
"1313941"	394.028672	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Cl+HCOOH"	80.974872
"1329255"	416.010629	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Cl+NaCOOH"	102.956829
"919221"	426.039386	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M-H+CF3COOH"	112.985586
"1294835"	462.016064	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Cl+CF3COOH"	148.962264
"1371903"	278.041124	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H-2H2O"	-35.012676
"1390496"	296.0511	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H-H2O"	-17.0027
"297111"	627.114876	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+H"	1.007276
"687710"	940.168676	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+H"	1.007276
"1358957"	314.061076	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H"	1.007276
"136219"	314.061076	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+2H"	2.014552
"575779"	470.587976	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+2H"	2.014552
"1046766"	157.534176	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2H"	2.014552
"215032"	209.709809333333	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+3H"	3.021828
"649854"	314.061076	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+3H"	3.021828
"1169072"	105.358542666667	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+3H"	3.021828
"431249"	644.141423	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+NH4"	18.033823
"792243"	957.195223	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+NH4"	18.033823
"1687481"	331.087623	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+NH4"	18.033823
"337953"	322.5743495	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+H+NH4"	19.041099
"730373"	479.1012495	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+H+NH4"	19.041099
"1486381"	166.0474495	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H+NH4"	19.041099
"395219"	649.096818	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+Na"	22.989218
"767765"	962.150618	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+Na"	22.989218
"1615254"	336.043018	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Na"	22.989218
"325293"	325.052047	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+H+Na"	23.996494
"720263"	481.578947	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+H+Na"	23.996494
"1468249"	168.525147	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H+Na"	23.996494
"1060400"	112.685856666667	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2H+Na"	25.00377
"1263172"	346.087286	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+CH3OH+H"	33.033486
"383934"	665.070758	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+K"	38.963158
"746023"	978.124558	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+K"	38.963158
"1546985"	352.016958	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+K"	38.963158
"309270"	333.039017	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+H+K"	39.970434
"698774"	489.565917	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+H+K"	39.970434
"1451501"	176.512117	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H+K"	39.970434
"247030"	668.141426	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+ACN+H"	42.033826
"1221195"	355.087626	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+ACN+H"	42.033826
"1206538"	178.047451	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+ACN+2H"	43.041102
"202455"	671.07876	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+2Na-H"	44.97116
"641530"	984.13256	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+2Na-H"	44.97116
"1145274"	358.02496	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2Na-H"	44.97116
"186743"	336.043018	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+2Na"	45.978436
"624969"	492.569918	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+2Na"	45.978436
"1128718"	179.516118	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2Na"	45.978436
"1405801"	120.013170666667	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H+2Na"	46.985712
"1441197"	360.066546	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H+HCOOH"	47.012746
"230890"	341.07604	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+3H2O+2H"	56.04448
"1521140"	374.11859	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+IsoProp+H"	61.06479
"419732"	344.029988	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+Na+K"	61.952376
"775260"	500.556888	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+Na+K"	61.952376
"1672686"	187.503088	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Na+K"	61.952376
"254830"	690.123368	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+ACN+Na"	64.015768
"1239575"	377.069568	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+ACN+Na"	64.015768
"1719716"	377.093093	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+NH4+HCOOH"	64.039293
"1183978"	127.340484666667	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+3Na"	68.967654
"1662255"	382.048488	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Na+HCOOH"	68.994688
"166204"	703.02664	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+2K-H"	76.91904
"604670"	1016.08044	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+2K-H"	76.91904
"1088451"	389.97284	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2K-H"	76.91904
"147090"	352.016958	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"2M+2K"	77.926316
"591030"	508.543858	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"3M+2K"	77.926316
"1075542"	195.490058	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2K"	77.926316
"1104378"	391.987392	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2K+H"	78.933592
"1339666"	392.075007	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+DMSO+H"	79.021207
"1015855"	396.114176	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2ACN+H"	83.060376
"1535076"	397.107808	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+IsoProp+Na+H"	84.054008
"1001523"	198.560726	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+2ACN+2H"	84.067652
"1599308"	398.022428	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+K+HCOOH"	84.968628
"1426790"	428.053938	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+H+CF3COOH"	115.000138
"1157445"	219.074001	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+3ACN+2H"	125.094202
"1708089"	445.080485	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+NH4+CF3COOH"	132.026685
"1647017"	450.03588	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+Na+CF3COOH"	136.98208
"1572826"	466.00982	"C14580"	"Isoxathion;Karphos"	"C13H16NO4PS"	"313.0538"	"M+K+CF3COOH"	152.95602
"803190"	196.1252	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M"	0
"977087"	177.10681	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-H2O-H"	-19.01839
"76996"	129.742857333333	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M-3H"	-3.021828
"515461"	195.117924	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M-3H"	-3.021828
"892168"	64.3677906666667	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-3H"	-3.021828
"8558"	195.117924	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M-2H"	-2.014552
"442651"	293.180524	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M-2H"	-2.014552
"828110"	97.055324	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-2H"	-2.014552
"89194"	391.243124	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M-H"	-1.007276
"530945"	587.368324	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M-H"	-1.007276
"906557"	195.117924	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-H"	-1.007276
"60930"	408.269671	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M-2H+NH4"	16.019271
"496119"	604.394871	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M-2H+NH4"	16.019271
"870637"	212.144471	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-2H+NH4"	16.019271
"38539"	413.225066	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M-2H+Na"	20.974666
"481377"	609.350266	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M-2H+Na"	20.974666
"856992"	217.099866	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-2H+Na"	20.974666
"1627620"	217.099866	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Na-2H"	20.974666
"99774"	213.106263	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M-H+Cl"	33.962126
"540427"	311.168863	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M-H+Cl"	33.962126
"932852"	115.043663	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-H+Cl"	33.962126
"272504"	427.219802	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+Cl"	34.969402
"667114"	623.345002	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+Cl"	34.969402
"1279523"	231.094602	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Cl"	34.969402
"29377"	429.199006	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M-2H+K"	36.948606
"461646"	625.324206	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M-2H+K"	36.948606
"842730"	233.073806	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-2H+K"	36.948606
"1567311"	233.073806	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+K-2H"	36.948606
"950822"	241.123394	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-H+HCOOH"	44.998194
"373409"	437.248601	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+HCOOH-H"	44.998201
"354012"	451.264251	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+Hac-H"	59.013851
"1501750"	255.139051	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Hac-H"	59.013851
"963823"	263.105351	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-H+NaCOOH"	66.980151
"113822"	231.094602	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+2Cl"	69.938804
"554475"	329.157202	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+2Cl"	69.938804
"1024371"	133.032002	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2Cl"	69.938804
"1251603"	275.044085	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Br"	78.918885
"1316238"	277.100072	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Cl+HCOOH"	80.974872
"1329363"	299.082029	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Cl+NaCOOH"	102.956829
"914590"	309.110786	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M-H+CF3COOH"	112.985586
"1294945"	345.087464	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Cl+CF3COOH"	148.962264
"1370919"	161.112524	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H-2H2O"	-35.012676
"1390605"	179.1225	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H-H2O"	-17.0027
"296128"	393.257676	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+H"	1.007276
"688915"	589.382876	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+H"	1.007276
"1360890"	197.132476	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H"	1.007276
"136329"	197.132476	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+2H"	2.014552
"574796"	295.195076	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+2H"	2.014552
"1044689"	99.069876	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2H"	2.014552
"212589"	131.757409333333	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+3H"	3.021828
"655430"	197.132476	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+3H"	3.021828
"1169182"	66.3823426666667	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+3H"	3.021828
"432453"	410.284223	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+NH4"	18.033823
"791261"	606.409423	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+NH4"	18.033823
"1688685"	214.159023	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+NH4"	18.033823
"339156"	205.6457495	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+H+NH4"	19.041099
"729390"	303.7083495	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+H+NH4"	19.041099
"1486491"	107.5831495	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H+NH4"	19.041099
"395329"	415.239618	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+Na"	22.989218
"768360"	611.364818	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+Na"	22.989218
"1615364"	219.114418	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Na"	22.989218
"326495"	208.123447	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+H+Na"	23.996494
"719644"	306.186047	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+H+Na"	23.996494
"1468359"	110.060847	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H+Na"	23.996494
"1059415"	73.7096566666667	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2H+Na"	25.00377
"1264374"	229.158686	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+CH3OH+H"	33.033486
"381856"	431.213558	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+K"	38.963158
"743942"	627.338758	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+K"	38.963158
"1547095"	235.088358	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+K"	38.963158
"310472"	216.110417	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+H+K"	39.970434
"701071"	314.173017	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+H+K"	39.970434
"1452704"	118.047817	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H+K"	39.970434
"247868"	434.284226	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+ACN+H"	42.033826
"1218389"	238.159026	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+ACN+H"	42.033826
"1203366"	119.583151	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+ACN+2H"	43.041102
"203415"	437.22156	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+2Na-H"	44.97116
"642005"	633.34676	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+2Na-H"	44.97116
"1145140"	241.09636	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2Na-H"	44.97116
"186610"	219.114418	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+2Na"	45.978436
"625077"	317.177018	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+2Na"	45.978436
"1129556"	121.051818	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2Na"	45.978436
"1404818"	81.0369706666667	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H+2Na"	46.985712
"1441308"	243.137946	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H+HCOOH"	47.012746
"231000"	224.14744	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+3H2O+2H"	56.04448
"1519063"	257.18999	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+IsoProp+H"	61.06479
"420935"	227.101388	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+Na+K"	61.952376
"774277"	325.163988	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+Na+K"	61.952376
"1673889"	129.038788	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Na+K"	61.952376
"255304"	456.266168	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+ACN+Na"	64.015768
"1235312"	260.140968	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+ACN+Na"	64.015768
"1724201"	260.164493	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+NH4+HCOOH"	64.039293
"1190649"	88.3642846666667	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+3Na"	68.967654
"1660542"	265.119888	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Na+HCOOH"	68.994688
"169594"	469.16944	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+2K-H"	76.91904
"606967"	665.29464	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+2K-H"	76.91904
"1090383"	273.04424	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2K-H"	76.91904
"146107"	235.088358	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"2M+2K"	77.926316
"594420"	333.150958	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"3M+2K"	77.926316
"1081120"	137.025758	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2K"	77.926316
"1101936"	275.058792	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2K+H"	78.933592
"1337954"	275.146407	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+DMSO+H"	79.021207
"1018151"	279.185576	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2ACN+H"	83.060376
"1538466"	280.179208	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+IsoProp+Na+H"	84.054008
"1003819"	140.096426	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+2ACN+2H"	84.067652
"1599417"	281.093828	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+K+HCOOH"	84.968628
"1427265"	311.125338	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+H+CF3COOH"	115.000138
"1157555"	160.609701	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+3ACN+2H"	125.094202
"1708199"	328.151885	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+NH4+CF3COOH"	132.026685
"1647127"	333.10728	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+Na+CF3COOH"	136.98208
"1572936"	349.08122	"C14581"	"13-Diphenylpropane"	"C15H16"	"196.1252"	"M+K+CF3COOH"	152.95602
"803300"	122.0732	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M"	0
"980113"	103.05481	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-H2O-H"	-19.01839
"74918"	80.3748573333333	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M-3H"	-3.021828
"515571"	121.065924	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M-3H"	-3.021828
"894222"	39.6837906666667	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-3H"	-3.021828
"9759"	121.065924	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M-2H"	-2.014552
"447133"	182.102524	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M-2H"	-2.014552
"824940"	60.029324	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-2H"	-2.014552
"83837"	243.139124	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M-H"	-1.007276
"526680"	365.212324	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M-H"	-1.007276
"903387"	121.065924	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-H"	-1.007276
"56667"	260.165671	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M-2H+NH4"	16.019271
"495133"	382.238871	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M-2H+NH4"	16.019271
"868561"	138.092471	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-2H+NH4"	16.019271
"36462"	265.121066	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M-2H+Na"	20.974666
"478571"	387.194266	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M-2H+Na"	20.974666
"857102"	143.047866	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-2H+Na"	20.974666
"1627728"	143.047866	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Na-2H"	20.974666
"102070"	139.054263	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M-H+Cl"	33.962126
"542723"	200.090863	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M-H+Cl"	33.962126
"934052"	78.017663	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-H+Cl"	33.962126
"272613"	279.115802	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+Cl"	34.969402
"666129"	401.189002	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+Cl"	34.969402
"1279633"	157.042602	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Cl"	34.969402
"22197"	281.095006	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M-2H+K"	36.948606
"461756"	403.168206	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M-2H+K"	36.948606
"843933"	159.021806	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-2H+K"	36.948606
"1565234"	159.021806	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+K-2H"	36.948606
"948741"	167.071394	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-H+HCOOH"	44.998194
"368048"	289.144601	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+HCOOH-H"	44.998201
"353028"	303.160251	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+Hac-H"	59.013851
"1498580"	181.087051	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Hac-H"	59.013851
"963933"	189.053351	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-H+NaCOOH"	66.980151
"113929"	157.042602	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+2Cl"	69.938804
"553125"	218.079202	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+2Cl"	69.938804
"1025572"	96.006002	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2Cl"	69.938804
"1248433"	200.992085	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Br"	78.918885
"1316348"	203.048072	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Cl+HCOOH"	80.974872
"1330566"	225.030029	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Cl+NaCOOH"	102.956829
"913607"	235.058786	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M-H+CF3COOH"	112.985586
"1296148"	271.035464	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Cl+CF3COOH"	148.962264
"1370300"	87.060524	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H-2H2O"	-35.012676
"1387435"	105.0705	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H-H2O"	-17.0027
"296238"	245.153676	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+H"	1.007276
"686471"	367.226876	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+H"	1.007276
"1358084"	123.080476	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H"	1.007276
"132065"	123.080476	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+2H"	2.014552
"573812"	184.117076	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+2H"	2.014552
"1043706"	62.043876	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2H"	2.014552
"212699"	82.3894093333333	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+3H"	3.021828
"655540"	123.080476	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+3H"	3.021828
"1168199"	41.6983426666667	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+3H"	3.021828
"432562"	262.180223	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+NH4"	18.033823
"792463"	384.253423	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+NH4"	18.033823
"1687700"	140.107023	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+NH4"	18.033823
"335986"	131.5937495	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+H+NH4"	19.041099
"729500"	192.6303495	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+H+NH4"	19.041099
"1481496"	70.5571495	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H+NH4"	19.041099
"398716"	267.135618	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+Na"	22.989218
"769649"	389.208818	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+Na"	22.989218
"1614381"	145.062418	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Na"	22.989218
"325511"	134.071447	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+H+Na"	23.996494
"721211"	195.108047	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+H+Na"	23.996494
"1468469"	73.034847	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H+Na"	23.996494
"1060618"	49.0256566666667	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2H+Na"	25.00377
"1264120"	155.106686	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+CH3OH+H"	33.033486
"379780"	283.109558	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+K"	38.963158
"744054"	405.182758	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+K"	38.963158
"1548298"	161.036358	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+K"	38.963158
"310946"	142.058417	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+H+K"	39.970434
"701181"	203.095017	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+H+K"	39.970434
"1451721"	81.021817	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H+K"	39.970434
"247978"	286.180226	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+ACN+H"	42.033826
"1219593"	164.107026	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+ACN+H"	42.033826
"1204569"	82.557151	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+ACN+2H"	43.041102
"202917"	289.11756	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+2Na-H"	44.97116
"642479"	411.19076	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+2Na-H"	44.97116
"1144521"	167.04436	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2Na-H"	44.97116
"186718"	145.062418	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+2Na"	45.978436
"626280"	206.099018	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+2Na"	45.978436
"1130030"	84.025818	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2Na"	45.978436
"1404927"	56.3529706666667	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H+2Na"	46.985712
"1443969"	169.085946	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H+HCOOH"	47.012746
"232932"	150.09544	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+3H2O+2H"	56.04448
"1522453"	183.13799	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+IsoProp+H"	61.06479
"416671"	153.049388	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+Na+K"	61.952376
"775479"	214.085988	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+Na+K"	61.952376
"1676185"	92.012788	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Na+K"	61.952376
"252863"	308.162168	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+ACN+Na"	64.015768
"1228846"	186.088968	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+ACN+Na"	64.015768
"1724311"	186.112493	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+NH4+HCOOH"	64.039293
"1184198"	63.6802846666667	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+3Na"	68.967654
"1659559"	191.067888	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Na+HCOOH"	68.994688
"166424"	321.06544	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+2K-H"	76.91904
"603796"	443.13864	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+2K-H"	76.91904
"1088308"	198.99224	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2K-H"	76.91904
"146217"	161.036358	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"2M+2K"	77.926316
"594530"	222.072958	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"3M+2K"	77.926316
"1079043"	99.999758	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2K"	77.926316
"1104598"	201.006792	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2K+H"	78.933592
"1338793"	201.094407	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+DMSO+H"	79.021207
"1017168"	205.133576	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2ACN+H"	83.060376
"1537120"	206.127208	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+IsoProp+Na+H"	84.054008
"1003929"	103.070426	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+2ACN+2H"	84.067652
"1600620"	207.041828	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+K+HCOOH"	84.968628
"1427739"	237.073338	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+H+CF3COOH"	115.000138
"1158393"	123.583701	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+3ACN+2H"	125.094202
"1708309"	254.099885	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+NH4+CF3COOH"	132.026685
"1645050"	259.05528	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+Na+CF3COOH"	136.98208
"1573046"	275.02922	"C14582"	"24-Dimethylphenol;24-Xylenol;1-Hydroxy-24-dimethylbenzene"	"C8H10O"	"122.0732"	"M+K+CF3COOH"	152.95602
"804503"	134.1096	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M"	0
"980223"	115.09121	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-H2O-H"	-19.01839
"72841"	88.399124	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M-3H"	-3.021828
"515317"	133.102324	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M-3H"	-3.021828
"888013"	43.695924	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-3H"	-3.021828
"5496"	133.102324	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M-2H"	-2.014552
"443963"	200.157124	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M-2H"	-2.014552
"822863"	66.047524	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-2H"	-2.014552
"83218"	267.211924	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M-H"	-1.007276
"524603"	401.321524	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M-H"	-1.007276
"902403"	133.102324	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-H"	-1.007276
"53497"	284.238471	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M-2H+NH4"	16.019271
"494150"	418.348071	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M-2H+NH4"	16.019271
"867578"	150.128871	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-2H+NH4"	16.019271
"38028"	289.193866	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M-2H+Na"	20.974666
"479409"	423.303466	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M-2H+Na"	20.974666
"854296"	155.084266	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-2H+Na"	20.974666
"1625652"	155.084266	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Na-2H"	20.974666
"102180"	151.090663	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M-H+Cl"	33.962126
"540647"	218.145463	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M-H+Cl"	33.962126
"933069"	84.035863	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-H+Cl"	33.962126
"270534"	303.188602	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+Cl"	34.969402
"663686"	437.298202	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+Cl"	34.969402
"1279743"	169.079002	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Cl"	34.969402
"24495"	305.167806	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M-2H+K"	36.948606
"464054"	439.277406	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M-2H+K"	36.948606
"846230"	171.058206	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-2H+K"	36.948606
"1567532"	171.058206	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+K-2H"	36.948606
"947758"	179.107794	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-H+HCOOH"	44.998194
"368158"	313.217401	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+HCOOH-H"	44.998201
"349123"	327.233051	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+Hac-H"	59.013851
"1501969"	193.123451	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Hac-H"	59.013851
"963677"	201.089751	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-H+NaCOOH"	66.980151
"112217"	169.079002	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+2Cl"	69.938804
"552142"	236.133802	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+2Cl"	69.938804
"1024953"	102.024202	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2Cl"	69.938804
"1245263"	213.028485	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Br"	78.918885
"1312084"	215.084472	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Cl+HCOOH"	80.974872
"1330676"	237.066429	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Cl+NaCOOH"	102.956829
"913717"	247.095186	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M-H+CF3COOH"	112.985586
"1296258"	283.071864	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Cl+CF3COOH"	148.962264
"1370410"	99.096924	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H-2H2O"	-35.012676
"1387544"	117.1069	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H-H2O"	-17.0027
"296349"	269.226476	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+H"	1.007276
"684030"	403.336076	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+H"	1.007276
"1363663"	135.116876	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H"	1.007276
"132906"	135.116876	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+2H"	2.014552
"573923"	202.171676	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+2H"	2.014552
"1043816"	68.062076	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2H"	2.014552
"216090"	90.413676	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+3H"	3.021828
"654557"	135.116876	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+3H"	3.021828
"1170495"	45.710476	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+3H"	3.021828
"433765"	286.253023	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+NH4"	18.033823
"792574"	420.362623	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+NH4"	18.033823
"1687810"	152.143423	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+NH4"	18.033823
"339375"	143.6301495	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+H+NH4"	19.041099
"731796"	210.6849495	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+H+NH4"	19.041099
"1482335"	76.5753495	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H+NH4"	19.041099
"397734"	291.208418	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+Na"	22.989218
"767122"	425.318018	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+Na"	22.989218
"1614491"	157.098818	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Na"	22.989218
"326714"	146.107847	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+H+Na"	23.996494
"720228"	213.162647	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+H+Na"	23.996494
"1471858"	79.053047	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H+Na"	23.996494
"1060728"	53.03779	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2H+Na"	25.00377
"1264230"	167.143086	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+CH3OH+H"	33.033486
"380983"	307.182358	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+K"	38.963158
"743071"	441.291958	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+K"	38.963158
"1546216"	173.072758	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+K"	38.963158
"307774"	154.094817	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+H+K"	39.970434
"699103"	221.149617	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+H+K"	39.970434
"1450738"	87.040017	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H+K"	39.970434
"245901"	310.253026	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+ACN+H"	42.033826
"1219703"	176.143426	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+ACN+H"	42.033826
"1201399"	88.575351	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+ACN+2H"	43.041102
"203274"	313.19036	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+2Na-H"	44.97116
"642950"	447.29996	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+2Na-H"	44.97116
"1144994"	179.08076	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2Na-H"	44.97116
"185731"	157.098818	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+2Na"	45.978436
"626026"	224.153618	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+2Na"	45.978436
"1129897"	90.044018	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2Na"	45.978436
"1409411"	60.365104	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H+2Na"	46.985712
"1444444"	181.122346	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H+HCOOH"	47.012746
"233042"	162.13184	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+3H2O+2H"	56.04448
"1523292"	195.17439	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+IsoProp+H"	61.06479
"414594"	165.085788	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+Na+K"	61.952376
"781058"	232.140588	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+Na+K"	61.952376
"1676296"	98.030988	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Na+K"	61.952376
"256254"	332.234968	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+ACN+Na"	64.015768
"1226529"	198.125368	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+ACN+Na"	64.015768
"1714204"	198.148893	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+NH4+HCOOH"	64.039293
"1184308"	67.692418	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+3Na"	68.967654
"1659669"	203.104288	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Na+HCOOH"	68.994688
"171392"	345.13824	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+2K-H"	76.91904
"607186"	479.24784	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+2K-H"	76.91904
"1090605"	211.02864	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2K-H"	76.91904
"149609"	173.072758	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"2M+2K"	77.926316
"594640"	240.127558	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"3M+2K"	77.926316
"1079153"	106.017958	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2K"	77.926316
"1104708"	213.043192	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2K+H"	78.933592
"1344372"	213.130807	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+DMSO+H"	79.021207
"1020316"	217.169976	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2ACN+H"	83.060376
"1537958"	218.163608	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+IsoProp+Na+H"	84.054008
"1004041"	109.088626	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+2ACN+2H"	84.067652
"1600368"	219.078228	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+K+HCOOH"	84.968628
"1428213"	249.109738	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+H+CF3COOH"	115.000138
"1161297"	129.601901	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+3ACN+2H"	125.094202
"1709149"	266.136285	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+NH4+CF3COOH"	132.026685
"1645160"	271.09168	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+Na+CF3COOH"	136.98208
"1573156"	287.06562	"C14583"	"14-Diethylbenzene;p-Diethylbenzene"	"C10H14"	"134.1096"	"M+K+CF3COOH"	152.95602
"803520"	267.988	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M"	0
"980333"	248.96961	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-H2O-H"	-19.01839
"72950"	177.651390666667	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M-3H"	-3.021828
"511417"	266.980724	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M-3H"	-3.021828
"889217"	88.3220573333333	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-3H"	-3.021828
"5606"	266.980724	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M-2H"	-2.014552
"446260"	400.974724	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M-2H"	-2.014552
"822973"	132.986724	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-2H"	-2.014552
"81871"	534.968724	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M-H"	-1.007276
"523619"	802.956724	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M-H"	-1.007276
"897773"	266.980724	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-H"	-1.007276
"50327"	551.995271	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M-2H+NH4"	16.019271
"490979"	819.983271	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M-2H+NH4"	16.019271
"867689"	284.007271	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-2H+NH4"	16.019271
"38866"	556.950666	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M-2H+Na"	20.974666
"476240"	824.938666	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M-2H+Na"	20.974666
"852220"	288.962666	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-2H+Na"	20.974666
"1625760"	288.962666	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Na-2H"	20.974666
"100104"	284.969063	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M-H+Cl"	33.962126
"536386"	418.963063	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M-H+Cl"	33.962126
"930992"	150.975063	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-H+Cl"	33.962126
"270276"	570.945402	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+Cl"	34.969402
"663068"	838.933402	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+Cl"	34.969402
"1279853"	302.957402	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Cl"	34.969402
"24601"	572.924606	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M-2H+K"	36.948606
"459785"	840.912606	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M-2H+K"	36.948606
"844153"	304.936606	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-2H+K"	36.948606
"1564360"	304.936606	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+K-2H"	36.948606
"947868"	312.986194	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-H+HCOOH"	44.998194
"367175"	580.974201	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+HCOOH-H"	44.998201
"346074"	594.989851	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+Hac-H"	59.013851
"1502079"	327.001851	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Hac-H"	59.013851
"963423"	334.968151	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-H+NaCOOH"	66.980151
"111234"	302.957402	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+2Cl"	69.938804
"550429"	436.951402	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+2Cl"	69.938804
"1024700"	168.963402	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2Cl"	69.938804
"1245372"	346.906885	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Br"	78.918885
"1312194"	348.962872	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Cl+HCOOH"	80.974872
"1331879"	370.944829	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Cl+NaCOOH"	102.956829
"917837"	380.973586	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M-H+CF3COOH"	112.985586
"1292722"	416.950264	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Cl+CF3COOH"	148.962264
"1370884"	232.975324	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H-2H2O"	-35.012676
"1389840"	250.9853	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H-H2O"	-17.0027
"294271"	536.983276	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+H"	1.007276
"683045"	804.971276	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+H"	1.007276
"1360857"	268.995276	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H"	1.007276
"133380"	268.995276	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+2H"	2.014552
"570753"	402.989276	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+2H"	2.014552
"1045019"	135.001276	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2H"	2.014552
"216929"	179.665942666667	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+3H"	3.021828
"654667"	268.995276	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+3H"	3.021828
"1169513"	90.3366093333333	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+3H"	3.021828
"432782"	554.009823	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+NH4"	18.033823
"792684"	821.997823	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+NH4"	18.033823
"1689013"	286.021823	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+NH4"	18.033823
"334012"	277.5085495	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+H+NH4"	19.041099
"731906"	411.5025495	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+H+NH4"	19.041099
"1481352"	143.5145495	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H+NH4"	19.041099
"396750"	558.965218	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+Na"	22.989218
"766503"	826.953218	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+Na"	22.989218
"1612415"	290.977218	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Na"	22.989218
"325731"	279.986247	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+H+Na"	23.996494
"719245"	413.980247	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+H+Na"	23.996494
"1469782"	145.992247	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H+Na"	23.996494
"1059746"	97.6639233333333	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2H+Na"	25.00377
"1264705"	301.021486	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+CH3OH+H"	33.033486
"381093"	574.939158	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+K"	38.963158
"746461"	842.927158	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+K"	38.963158
"1546326"	306.951158	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+K"	38.963158
"306790"	287.973217	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+H+K"	39.970434
"697024"	421.967217	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+H+K"	39.970434
"1451941"	153.979217	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H+K"	39.970434
"246011"	578.009826	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+ACN+H"	42.033826
"1214345"	310.021826	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+ACN+H"	42.033826
"1201508"	155.514551	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+ACN+2H"	43.041102
"196566"	580.94716	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+2Na-H"	44.97116
"636126"	848.93516	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+2Na-H"	44.97116
"1143646"	312.95916	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2Na-H"	44.97116
"184020"	290.977218	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+2Na"	45.978436
"625405"	424.971218	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+2Na"	45.978436
"1129277"	156.983218	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2Na"	45.978436
"1409520"	104.991237333333	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H+2Na"	46.985712
"1443823"	315.000746	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H+HCOOH"	47.012746
"229872"	296.01024	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+3H2O+2H"	56.04448
"1523402"	329.05279	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+IsoProp+H"	61.06479
"414704"	298.964188	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+Na+K"	61.952376
"778253"	432.958188	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+Na+K"	61.952376
"1676042"	164.970188	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Na+K"	61.952376
"255271"	599.991768	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+ACN+Na"	64.015768
"1227611"	332.003768	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+ACN+Na"	64.015768
"1713950"	332.027293	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+NH4+HCOOH"	64.039293
"1187697"	112.318551333333	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+3Na"	68.967654
"1664151"	336.982688	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Na+HCOOH"	68.994688
"166638"	612.89504	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+2K-H"	76.91904
"602920"	880.88304	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+2K-H"	76.91904
"1089619"	344.90704	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2K-H"	76.91904
"144248"	306.951158	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"2M+2K"	77.926316
"597050"	440.945158	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"3M+2K"	77.926316
"1079263"	172.957158	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2K"	77.926316
"1105911"	346.921592	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2K+H"	78.933592
"1345575"	347.009207	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+DMSO+H"	79.021207
"1018481"	351.048376	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2ACN+H"	83.060376
"1537586"	352.042008	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+IsoProp+Na+H"	84.054008
"1004517"	176.027826	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+2ACN+2H"	84.067652
"1600478"	352.956628	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+K+HCOOH"	84.968628
"1428324"	382.988138	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+H+CF3COOH"	115.000138
"1161528"	196.541101	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+3ACN+2H"	125.094202
"1709988"	400.014685	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+NH4+CF3COOH"	132.026685
"1645270"	404.97008	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+Na+CF3COOH"	136.98208
"1574359"	420.94402	"C14584"	"Chlorobenside;4-Chlorobenzyl 4-chlorophenyl sulfide"	"C13H10Cl2S"	"267.988"	"M+K+CF3COOH"	152.95602
"810190"	242.0498	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M"	0
"982630"	223.03141	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-H2O-H"	-19.01839
"73790"	160.359257333333	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M-3H"	-3.021828
"516266"	241.042524	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M-3H"	-3.021828
"890421"	79.6759906666667	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-3H"	-3.021828
"7903"	241.042524	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M-2H"	-2.014552
"448556"	362.067424	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M-2H"	-2.014552
"826363"	120.017624	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-2H"	-2.014552
"81981"	483.092324	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M-H"	-1.007276
"523729"	725.142124	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M-H"	-1.007276
"901527"	241.042524	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-H"	-1.007276
"54811"	500.118871	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M-2H+NH4"	16.019271
"495463"	742.168671	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M-2H+NH4"	16.019271
"875451"	258.069071	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-2H+NH4"	16.019271
"38979"	505.074266	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M-2H+Na"	20.974666
"479629"	747.124066	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M-2H+Na"	20.974666
"854152"	263.024466	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-2H+Na"	20.974666
"1623685"	263.024466	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Na-2H"	20.974666
"98028"	259.030863	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M-H+Cl"	33.962126
"535403"	380.055763	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M-H+Cl"	33.962126
"928915"	138.005963	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-H+Cl"	33.962126
"269292"	519.069002	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+Cl"	34.969402
"663178"	761.118802	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+Cl"	34.969402
"1274495"	277.019202	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Cl"	34.969402
"19237"	521.048206	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M-2H+K"	36.948606
"455687"	763.098006	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M-2H+K"	36.948606
"836601"	278.998406	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-2H+K"	36.948606
"1564470"	278.998406	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+K-2H"	36.948606
"947978"	287.047994	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-H+HCOOH"	44.998194
"364733"	529.097801	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+HCOOH-H"	44.998201
"347156"	543.113451	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+Hac-H"	59.013851
"1496720"	301.063651	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Hac-H"	59.013851
"963533"	309.029951	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-H+NaCOOH"	66.980151
"110980"	277.019202	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+2Cl"	69.938804
"556008"	398.044102	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+2Cl"	69.938804
"1024810"	155.994302	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2Cl"	69.938804
"1246575"	320.968685	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Br"	78.918885
"1315584"	323.024672	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Cl+HCOOH"	80.974872
"1328707"	345.006629	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Cl+NaCOOH"	102.956829
"924144"	355.035386	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M-H+CF3COOH"	112.985586
"1297572"	391.012064	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Cl+CF3COOH"	148.962264
"1374640"	207.037124	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H-2H2O"	-35.012676
"1393233"	225.0471	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H-H2O"	-17.0027
"294381"	485.106876	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+H"	1.007276
"682062"	727.156676	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+H"	1.007276
"1361694"	243.057076	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H"	1.007276
"133490"	243.057076	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+2H"	2.014552
"575966"	364.081976	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+2H"	2.014552
"1049141"	122.032176	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2H"	2.014552
"217403"	162.373809333333	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+3H"	3.021828
"657330"	243.057076	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+3H"	3.021828
"1172902"	81.6905426666667	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+3H"	3.021828
"435081"	502.133423	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+NH4"	18.033823
"798262"	744.183223	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+NH4"	18.033823
"1690218"	260.083623	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+NH4"	18.033823
"339590"	251.5703495	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+H+NH4"	19.041099
"730923"	372.5952495	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+H+NH4"	19.041099
"1484743"	130.5454495	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H+NH4"	19.041099
"399048"	507.088818	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+Na"	22.989218
"765519"	749.138618	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+Na"	22.989218
"1613618"	265.039018	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Na"	22.989218
"323654"	254.048047	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+H+Na"	23.996494
"718263"	375.072947	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+H+Na"	23.996494
"1473173"	133.023147	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H+Na"	23.996494
"1063866"	89.0178566666667	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2H+Na"	25.00377
"1268825"	275.083286	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+CH3OH+H"	33.033486
"385576"	523.062758	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+K"	38.963158
"748758"	765.112558	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+K"	38.963158
"1549354"	281.012958	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+K"	38.963158
"305807"	262.035017	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+H+K"	39.970434
"697134"	383.059917	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+H+K"	39.970434
"1452051"	141.010117	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H+K"	39.970434
"246121"	526.133426	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+ACN+H"	42.033826
"1217735"	284.083626	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+ACN+H"	42.033826
"1202711"	142.545451	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+ACN+2H"	43.041102
"198862"	529.07076	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+2Na-H"	44.97116
"642433"	771.12056	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+2Na-H"	44.97116
"1144850"	287.02096	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2Na-H"	44.97116
"184496"	265.039018	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+2Na"	45.978436
"624787"	386.063918	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+2Na"	45.978436
"1129025"	144.014118	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2Na"	45.978436
"1408901"	96.3451706666667	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H+2Na"	46.985712
"1442840"	289.062546	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H+HCOOH"	47.012746
"229982"	270.07204	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+3H2O+2H"	56.04448
"1520232"	303.11459	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+IsoProp+H"	61.06479
"414814"	273.025988	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+Na+K"	61.952376
"778363"	394.050888	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+Na+K"	61.952376
"1675788"	152.001088	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Na+K"	61.952376
"253194"	548.115368	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+ACN+Na"	64.015768
"1227357"	306.065568	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+ACN+Na"	64.015768
"1713696"	306.089093	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+NH4+HCOOH"	64.039293
"1187807"	103.672484666667	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+3Na"	68.967654
"1663168"	311.044488	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Na+HCOOH"	68.994688
"166747"	561.01864	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+2K-H"	76.91904
"603030"	803.06844	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+2K-H"	76.91904
"1090822"	318.96884	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2K-H"	76.91904
"147638"	281.012958	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"2M+2K"	77.926316
"595833"	402.037858	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"3M+2K"	77.926316
"1077186"	159.988058	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2K"	77.926316
"1106021"	320.983392	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2K+H"	78.933592
"1344592"	321.071007	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+DMSO+H"	79.021207
"1018591"	325.110176	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2ACN+H"	83.060376
"1537812"	326.103808	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+IsoProp+Na+H"	84.054008
"1000979"	163.058726	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+2ACN+2H"	84.067652
"1602043"	327.018428	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+K+HCOOH"	84.968628
"1428796"	357.049938	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+H+CF3COOH"	115.000138
"1160179"	183.572001	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+3ACN+2H"	125.094202
"1710098"	374.076485	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+NH4+CF3COOH"	132.026685
"1645380"	379.03188	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+Na+CF3COOH"	136.98208
"1574469"	395.00582	"C14585"	"4-Chlorochalcone;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one"	"C15H11ClO"	"242.0498"	"M+K+CF3COOH"	152.95602
"812488"	328.2402	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M"	0
"982741"	309.22181	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-H2O-H"	-19.01839
"75360"	217.819524	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M-3H"	-3.021828
"513826"	327.232924	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M-3H"	-3.021828
"893450"	108.406124	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-3H"	-3.021828
"12753"	327.232924	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M-2H"	-2.014552
"454133"	491.353024	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M-2H"	-2.014552
"824287"	163.112824	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-2H"	-2.014552
"84279"	655.473124	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M-H"	-1.007276
"526027"	983.713324	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M-H"	-1.007276
"904920"	327.232924	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-H"	-1.007276
"57107"	672.499671	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M-2H+NH4"	16.019271
"497761"	1000.739871	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M-2H+NH4"	16.019271
"878479"	344.259471	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-2H+NH4"	16.019271
"43462"	677.455066	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M-2H+Na"	20.974666
"481931"	1005.695266	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M-2H+Na"	20.974666
"854265"	349.214866	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-2H+Na"	20.974666
"1623799"	349.214866	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Na-2H"	20.974666
"99234"	345.221263	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M-H+Cl"	33.962126
"538794"	509.341363	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M-H+Cl"	33.962126
"930484"	181.101163	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-H+Cl"	33.962126
"269774"	691.449802	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+Cl"	34.969402
"664382"	1019.690002	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+Cl"	34.969402
"1281165"	363.209602	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Cl"	34.969402
"23722"	693.429006	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M-2H+K"	36.948606
"458909"	1021.669206	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M-2H+K"	36.948606
"833511"	365.188806	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-2H+K"	36.948606
"1564581"	365.188806	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+K-2H"	36.948606
"949182"	373.238394	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-H+HCOOH"	44.998194
"364115"	701.478601	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+HCOOH-H"	44.998201
"351279"	715.494251	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+Hac-H"	59.013851
"1495737"	387.254051	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Hac-H"	59.013851
"962550"	395.220351	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-H+NaCOOH"	66.980151
"111454"	363.209602	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+2Cl"	69.938804
"551015"	527.329702	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+2Cl"	69.938804
"1028201"	199.089502	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2Cl"	69.938804
"1246685"	407.159085	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Br"	78.918885
"1314603"	409.215072	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Cl+HCOOH"	80.974872
"1327726"	431.197029	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Cl+NaCOOH"	102.956829
"922067"	441.225786	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M-H+CF3COOH"	112.985586
"1297681"	477.202464	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Cl+CF3COOH"	148.962264
"1373657"	293.227524	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H-2H2O"	-35.012676
"1391156"	311.2375	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H-H2O"	-17.0027
"288657"	657.487676	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+H"	1.007276
"682173"	985.727876	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+H"	1.007276
"1365086"	329.247476	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H"	1.007276
"139068"	329.247476	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+2H"	2.014552
"577900"	493.367576	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+2H"	2.014552
"1045240"	165.127376	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2H"	2.014552
"217878"	219.834076	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+3H"	3.021828
"658532"	329.247476	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+3H"	3.021828
"1171919"	110.420676	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+3H"	3.021828
"436283"	674.514223	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+NH4"	18.033823
"798372"	1002.754423	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+NH4"	18.033823
"1693607"	346.274023	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+NH4"	18.033823
"339701"	337.7607495	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+H+NH4"	19.041099
"729937"	501.8808495	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+H+NH4"	19.041099
"1487039"	173.6406495	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H+NH4"	19.041099
"400249"	679.469618	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+Na"	22.989218
"764535"	1007.709818	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+Na"	22.989218
"1614819"	351.229418	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Na"	22.989218
"325584"	340.238447	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+H+Na"	23.996494
"716546"	504.358547	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+H+Na"	23.996494
"1474376"	176.118347	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H+Na"	23.996494
"1064338"	117.74799	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2H+Na"	25.00377
"1267110"	361.273686	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+CH3OH+H"	33.033486
"384592"	695.443558	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+K"	38.963158
"748868"	1023.683758	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+K"	38.963158
"1552013"	367.203358	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+K"	38.963158
"314173"	348.225417	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+H+K"	39.970434
"704902"	512.345517	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+H+K"	39.970434
"1459088"	184.105317	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H+K"	39.970434
"249148"	698.514226	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+ACN+H"	42.033826
"1223312"	370.274026	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+ACN+H"	42.033826
"1208169"	185.640651	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+ACN+2H"	43.041102
"202257"	701.45156	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+2Na-H"	44.97116
"643277"	1029.69176	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+2Na-H"	44.97116
"1144963"	373.21136	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2Na-H"	44.97116
"185336"	351.229418	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+2Na"	45.978436
"625629"	515.349518	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+2Na"	45.978436
"1128041"	187.109318	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2Na"	45.978436
"1410838"	125.075304	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H+2Na"	46.985712
"1440764"	375.252946	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H+HCOOH"	47.012746
"232284"	356.26244	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+3H2O+2H"	56.04448
"1519618"	389.30499	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+IsoProp+H"	61.06479
"419299"	359.216388	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+Na+K"	61.952376
"780660"	523.336488	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+Na+K"	61.952376
"1670790"	195.096288	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Na+K"	61.952376
"260952"	720.496168	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+ACN+Na"	64.015768
"1232566"	392.255968	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+ACN+Na"	64.015768
"1718173"	392.279493	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+NH4+HCOOH"	64.039293
"1193385"	132.402618	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+3Na"	68.967654
"1661094"	397.234888	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Na+HCOOH"	68.994688
"170139"	733.39944	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+2K-H"	76.91904
"603140"	1061.63964	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+2K-H"	76.91904
"1087652"	405.15924	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2K-H"	76.91904
"147748"	367.203358	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"2M+2K"	77.926316
"592784"	531.323458	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"3M+2K"	77.926316
"1078389"	203.083258	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2K"	77.926316
"1105036"	407.173792	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2K+H"	78.933592
"1344702"	407.261407	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+DMSO+H"	79.021207
"1015421"	411.300576	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2ACN+H"	83.060376
"1532455"	412.294208	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+IsoProp+Na+H"	84.054008
"997809"	206.153926	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+2ACN+2H"	84.067652
"1598873"	413.208828	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+K+HCOOH"	84.968628
"1428542"	443.240338	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+H+CF3COOH"	115.000138
"1160290"	226.667201	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+3ACN+2H"	125.094202
"1710934"	460.266885	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+NH4+CF3COOH"	132.026685
"1640023"	465.22228	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+Na+CF3COOH"	136.98208
"1575672"	481.19622	"C14586"	"6alpha-Methylprogesterone;6alpha-Methylpregn-4-ene-320-dione"	"C22H32O2"	"328.2402"	"M+K+CF3COOH"	152.95602
"807130"	300.1725	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M"	0
"980662"	281.15411	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"74374"	199.107724	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"517214"	299.165224	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"893923"	99.050224	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"12498"	299.165224	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"454243"	449.251474	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"826584"	149.078974	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"84389"	599.337724	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"530511"	899.510224	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"903937"	299.165224	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"57218"	616.364271	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"497871"	916.536771	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"875672"	316.191771	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"42479"	621.319666	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"479855"	921.492166	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"851824"	321.147166	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1623907"	321.147166	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"98250"	317.153563	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"538904"	467.239813	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"928529"	167.067313	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"270248"	635.314402	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"661210"	935.486902	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1277994"	335.141902	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"24925"	637.293606	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"459019"	937.466106	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"834634"	337.121106	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1557396"	337.121106	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"943818"	345.170694	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"365683"	645.343201	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"349203"	659.358851	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1495847"	359.186351	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"962660"	367.152651	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"110714"	335.141902	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"552218"	485.228152	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1026487"	185.055652	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1246795"	379.091385	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1311432"	381.147372	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1327834"	403.129329	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"922178"	413.158086	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1297426"	449.134764	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1378138"	265.159824	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1385792"	283.1698	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"288767"	601.352276	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"683742"	901.524776	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1358268"	301.179776	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"135169"	301.179776	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"575093"	451.266026	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1040975"	151.093526	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"214342"	201.122276	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"654995"	301.179776	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1170936"	101.064776	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"429832"	618.378823	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"793015"	918.551323	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1689345"	318.206323	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"337625"	309.6930495	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"731141"	459.7792995	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1487879"	159.6067995	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"399266"	623.334218	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"765738"	923.506718	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1613836"	323.161718	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"322778"	312.170747	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"716293"	462.256997	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1474486"	162.084497	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1067729"	108.39209	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1270501"	333.205986	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"392356"	639.308158	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"746791"	939.480658	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1551029"	339.135658	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"314135"	320.157717	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"705376"	470.243967	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1461024"	170.071467	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"249623"	642.378826	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1222329"	342.206326	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1209453"	171.606801	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"202608"	645.31616	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"643264"	945.48866	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1146162"	345.14366	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"186539"	323.161718	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"625373"	473.247968	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1128881"	173.075468	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1409851"	115.719404	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1439780"	347.185246	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"232028"	328.19474	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1521546"	361.23729	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"416128"	331.148688	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"780770"	481.234938	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1667987"	181.062438	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"254870"	664.360768	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1230491"	364.188268	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1718284"	364.211793	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1193495"	123.046718	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1662297"	369.167188	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"170250"	677.26404	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"603250"	977.43654	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1087762"	377.09154	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"147858"	339.135658	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"593865"	489.221908	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1078499"	189.049408	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1105146"	379.106092	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1346999"	379.193707	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1017717"	383.232876	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1536937"	384.226508	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"1003385"	192.120076	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1600076"	385.141128	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1427922"	415.172638	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1161859"	212.633351	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1709951"	432.199185	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1642319"	437.15458	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1575782"	453.12852	"C14587"	"11alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"803960"	302.2246	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M"	0
"977492"	283.20621	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"76670"	200.475790666667	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"510762"	301.217324	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"893671"	99.7342573333333	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"9328"	301.217324	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"453261"	452.329624	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"823412"	150.105024	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"86686"	603.441924	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"529528"	905.666524	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"904048"	301.217324	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"57328"	620.468471	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"501142"	922.693071	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"875785"	318.243871	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"40403"	625.423866	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"475227"	927.648466	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"854848"	323.199266	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1622926"	323.199266	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"96902"	319.205663	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"536827"	470.317963	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"927709"	168.093363	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"268292"	639.418602	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"671163"	941.643202	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1284665"	337.194002	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"25035"	641.397806	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"459128"	943.622406	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"836932"	339.173206	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1565886"	339.173206	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"943930"	347.222794	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"363606"	649.447401	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"346393"	663.463051	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1494496"	361.238451	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"961677"	369.204751	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"113498"	337.194002	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"553060"	488.306302	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1025869"	186.081702	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1249093"	381.143485	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1315917"	383.199472	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1333416"	405.181429	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"921191"	415.210186	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1297901"	451.186864	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1380436"	267.211924	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1386268"	285.2219	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"285961"	605.456476	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"682393"	907.681076	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1358742"	303.231876	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"132727"	303.231876	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"575567"	454.344176	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1046189"	152.119576	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"211173"	202.490342666667	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"658389"	303.231876	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1168859"	101.748809333333	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"429944"	622.483023	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"793126"	924.707623	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1694802"	320.258423	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"333361"	311.7451495	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"733439"	462.8574495	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1482885"	160.6328495	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"401563"	627.438418	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"764754"	929.663018	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1611758"	325.213818	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"323982"	314.222847	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"717494"	465.335147	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1471316"	163.110547	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1062373"	109.076123333333	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1266242"	335.258086	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"384813"	643.412358	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"742529"	945.636958	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1550047"	341.187758	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"314079"	322.209817	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"704393"	473.322117	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1456755"	171.097517	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"248276"	646.483026	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1222804"	344.258426	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1207417"	172.632851	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"201380"	649.42036	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"640944"	951.64496	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1144450"	347.19576	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"186285"	325.213818	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"626213"	476.326118	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1129356"	174.101518	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1409961"	116.403437333333	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1437703"	349.237346	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"231774"	330.24684	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1522387"	363.28939	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"420979"	333.200788	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"781975"	484.313088	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1668098"	182.088488	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"256074"	668.464968	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1233517"	366.240368	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1719123"	366.263893	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1192875"	123.730751333333	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1664594"	371.219288	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"172551"	681.36824	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"603360"	983.59284	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1087872"	379.14364	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"147968"	341.187758	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"593004"	492.300058	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1079702"	190.075458	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1106349"	381.158192	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1340547"	381.245807	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1017827"	385.284976	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1537047"	386.278608	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1003496"	193.146126	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1601280"	387.193228	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1426939"	417.224738	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1161970"	213.659401	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1711156"	434.251285	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1643523"	439.20668	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1583547"	455.18062	"C14588"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one;7alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"816100"	272.0797	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M"	0
"983070"	253.06131	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-H2O-H"	-19.01839
"77391"	180.379190666667	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M-3H"	-3.021828
"516343"	271.072424	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M-3H"	-3.021828
"892687"	89.6859573333333	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-3H"	-3.021828
"9438"	271.072424	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M-2H"	-2.014552
"455198"	407.112274	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M-2H"	-2.014552
"825709"	135.032574	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-2H"	-2.014552
"90076"	543.152124	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M-H"	-1.007276
"528546"	815.231824	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M-H"	-1.007276
"907440"	271.072424	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-H"	-1.007276
"57441"	560.178671	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M-2H+NH4"	16.019271
"494813"	832.258371	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M-2H+NH4"	16.019271
"874801"	288.098971	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-2H+NH4"	16.019271
"40148"	565.134066	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M-2H+Na"	20.974666
"479343"	837.213766	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M-2H+Na"	20.974666
"851682"	293.054366	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-2H+Na"	20.974666
"1620120"	293.054366	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Na-2H"	20.974666
"98468"	289.060763	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M-H+Cl"	33.962126
"535113"	425.100613	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M-H+Cl"	33.962126
"928261"	153.020913	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-H+Cl"	33.962126
"267470"	579.128802	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+Cl"	34.969402
"664712"	851.208502	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+Cl"	34.969402
"1282589"	307.049102	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Cl"	34.969402
"27333"	581.108006	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M-2H+K"	36.948606
"460331"	853.187706	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M-2H+K"	36.948606
"840323"	309.028306	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-2H+K"	36.948606
"1563809"	309.028306	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+K-2H"	36.948606
"944041"	317.077894	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-H+HCOOH"	44.998194
"362987"	589.157601	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+HCOOH-H"	44.998201
"347352"	603.173251	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+Hac-H"	59.013851
"1495336"	331.093551	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Hac-H"	59.013851
"962151"	339.059851	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-H+NaCOOH"	66.980151
"115798"	307.049102	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+2Cl"	69.938804
"557544"	443.088952	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+2Cl"	69.938804
"1031812"	171.009252	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2Cl"	69.938804
"1255765"	350.998585	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Br"	78.918885
"1317850"	353.054572	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Cl+HCOOH"	80.974872
"1332430"	375.036529	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Cl+NaCOOH"	102.956829
"924584"	385.065286	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M-H+CF3COOH"	112.985586
"1300204"	421.041964	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Cl+CF3COOH"	148.962264
"1378360"	237.067024	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H-2H2O"	-35.012676
"1389295"	255.077	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H-H2O"	-17.0027
"286799"	545.166676	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+H"	1.007276
"682503"	817.246376	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+H"	1.007276
"1358852"	273.086976	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H"	1.007276
"135025"	273.086976	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+2H"	2.014552
"578595"	409.126826	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+2H"	2.014552
"1043384"	137.047126	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2H"	2.014552
"214563"	182.393742666667	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+3H"	3.021828
"654853"	273.086976	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+3H"	3.021828
"1171156"	91.7005093333333	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+3H"	3.021828
"431147"	562.193223	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+NH4"	18.033823
"793236"	834.272923	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+NH4"	18.033823
"1692849"	290.113523	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+NH4"	18.033823
"332742"	281.6002495	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+H+NH4"	19.041099
"733185"	417.6400995	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+H+NH4"	19.041099
"1485911"	145.5603995	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H+NH4"	19.041099
"401673"	567.148618	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+Na"	22.989218
"762677"	839.228318	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+Na"	22.989218
"1609681"	295.068918	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Na"	22.989218
"325187"	284.077947	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+H+Na"	23.996494
"715419"	420.117797	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+H+Na"	23.996494
"1468146"	148.038097	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H+Na"	23.996494
"1061389"	99.0278233333333	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2H+Na"	25.00377
"1266352"	305.113186	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+CH3OH+H"	33.033486
"383830"	583.122558	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+K"	38.963158
"745920"	855.202258	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+K"	38.963158
"1547969"	311.042858	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+K"	38.963158
"311354"	292.064917	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+H+K"	39.970434
"705962"	428.104767	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+H+K"	39.970434
"1456867"	156.025067	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H+K"	39.970434
"245470"	586.193226	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+ACN+H"	42.033826
"1220365"	314.113526	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+ACN+H"	42.033826
"1205340"	157.560401	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+ACN+2H"	43.041102
"200763"	589.13056	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+2Na-H"	44.97116
"642148"	861.21026	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+2Na-H"	44.97116
"1143831"	317.05086	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2Na-H"	44.97116
"184936"	295.068918	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+2Na"	45.978436
"626323"	431.108768	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+2Na"	45.978436
"1128371"	159.029068	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2Na"	45.978436
"1410801"	106.355137333333	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H+2Na"	46.985712
"1441095"	319.092446	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H+HCOOH"	47.012746
"231885"	300.10194	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+3H2O+2H"	56.04448
"1523354"	333.14449	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+IsoProp+H"	61.06479
"422913"	303.055888	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+Na+K"	61.952376
"782814"	439.095738	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+Na+K"	61.952376
"1678051"	167.016038	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Na+K"	61.952376
"258008"	608.175168	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+ACN+Na"	64.015768
"1230715"	336.095468	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+ACN+Na"	64.015768
"1717776"	336.118993	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+NH4+HCOOH"	64.039293
"1193716"	113.682451333333	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+3Na"	68.967654
"1665191"	341.074388	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Na+HCOOH"	68.994688
"172577"	621.07844	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+2K-H"	76.91904
"606750"	893.15814	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+2K-H"	76.91904
"1087982"	348.99874	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2K-H"	76.91904
"145891"	311.042858	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"2M+2K"	77.926316
"595906"	447.082708	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"3M+2K"	77.926316
"1079812"	175.003008	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2K"	77.926316
"1105366"	351.013292	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2K+H"	78.933592
"1340657"	351.100907	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+DMSO+H"	79.021207
"1017938"	355.140076	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2ACN+H"	83.060376
"1538616"	356.133708	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+IsoProp+Na+H"	84.054008
"1003605"	178.073676	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+2ACN+2H"	84.067652
"1597015"	357.048328	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+K+HCOOH"	84.968628
"1424861"	387.079838	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+H+CF3COOH"	115.000138
"1161712"	198.586951	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+3ACN+2H"	125.094202
"1711264"	404.106385	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+NH4+CF3COOH"	132.026685
"1645820"	409.06178	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+Na+CF3COOH"	136.98208
"1583657"	425.03572	"C14589"	"12-Bis(4-nitrophenyl)ethane;44-Dinitrodibenzyl"	"C14H12N2O4"	"272.0797"	"M+K+CF3COOH"	152.95602
"804180"	270.162	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M"	0
"975525"	251.14361	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-H2O-H"	-19.01839
"73610"	179.100724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M-3H"	-3.021828
"513170"	269.154724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M-3H"	-3.021828
"890973"	89.046724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-3H"	-3.021828
"6268"	269.154724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M-2H"	-2.014552
"451295"	404.235724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M-2H"	-2.014552
"824727"	134.073724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-2H"	-2.014552
"83625"	539.316724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M-H"	-1.007276
"525375"	809.478724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M-H"	-1.007276
"903175"	269.154724	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-H"	-1.007276
"53176"	556.343271	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M-2H+NH4"	16.019271
"498202"	826.505271	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M-2H+NH4"	16.019271
"870536"	286.181271	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-2H+NH4"	16.019271
"36250"	561.298666	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M-2H+Na"	20.974666
"473985"	831.460666	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M-2H+Na"	20.974666
"849602"	291.136666	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-2H+Na"	20.974666
"1618469"	291.136666	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Na-2H"	20.974666
"95296"	287.143063	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M-H+Cl"	33.962126
"534653"	422.224063	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M-H+Cl"	33.962126
"927640"	152.062063	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-H+Cl"	33.962126
"267328"	575.293402	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+Cl"	34.969402
"660203"	845.455402	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+Cl"	34.969402
"1278325"	305.131402	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Cl"	34.969402
"25256"	577.272606	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M-2H+K"	36.948606
"457282"	847.434606	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M-2H+K"	36.948606
"840433"	307.110606	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-2H+K"	36.948606
"1563919"	307.110606	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+K-2H"	36.948606
"945608"	315.160194	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-H+HCOOH"	44.998194
"364551"	585.322201	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+HCOOH-H"	44.998201
"348798"	599.337851	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+Hac-H"	59.013851
"1495809"	329.175851	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Hac-H"	59.013851
"961533"	337.142151	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-H+NaCOOH"	66.980151
"113721"	305.131402	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+2Cl"	69.938804
"557654"	440.212402	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+2Cl"	69.938804
"1030829"	170.050402	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2Cl"	69.938804
"1249314"	349.080885	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Br"	78.918885
"1309576"	351.136872	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Cl+HCOOH"	80.974872
"1327072"	373.118829	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Cl+NaCOOH"	102.956829
"925787"	383.147586	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M-H+CF3COOH"	112.985586
"1302133"	419.124264	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Cl+CF3COOH"	148.962264
"1378470"	235.149324	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H-2H2O"	-35.012676
"1385031"	253.1593	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H-H2O"	-17.0027
"286180"	541.331276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+H"	1.007276
"682613"	811.493276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+H"	1.007276
"1358962"	271.169276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H"	1.007276
"138415"	271.169276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+2H"	2.014552
"577976"	406.250276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+2H"	2.014552
"1043494"	136.088276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2H"	2.014552
"214673"	181.115276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+3H"	3.021828
"654963"	271.169276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+3H"	3.021828
"1171266"	91.061276	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+3H"	3.021828
"432350"	558.357823	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+NH4"	18.033823
"793346"	828.519823	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+NH4"	18.033823
"1692958"	288.195823	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+NH4"	18.033823
"335768"	279.6825495	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+H+NH4"	19.041099
"732931"	414.7635495	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+H+NH4"	19.041099
"1485292"	144.6015495	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H+NH4"	19.041099
"401783"	563.313218	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+Na"	22.989218
"762787"	833.475218	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+Na"	22.989218
"1609791"	293.151218	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Na"	22.989218
"326025"	282.160247	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+H+Na"	23.996494
"717717"	417.241247	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+H+Na"	23.996494
"1469349"	147.079247	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H+Na"	23.996494
"1061499"	98.38859	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2H+Na"	25.00377
"1267555"	303.195486	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+CH3OH+H"	33.033486
"383940"	579.287158	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+K"	38.963158
"746030"	849.449158	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+K"	38.963158
"1546986"	309.125158	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+K"	38.963158
"307455"	290.147217	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+H+K"	39.970434
"702063"	425.228217	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+H+K"	39.970434
"1455884"	155.066217	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H+K"	39.970434
"247766"	582.357826	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+ACN+H"	42.033826
"1218289"	312.195826	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+ACN+H"	42.033826
"1203263"	156.601551	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+ACN+2H"	43.041102
"200506"	585.29516	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+2Na-H"	44.97116
"638977"	855.45716	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+2Na-H"	44.97116
"1142481"	315.13316	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2Na-H"	44.97116
"181401"	293.151218	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+2Na"	45.978436
"624245"	428.232218	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+2Na"	45.978436
"1127020"	158.070218	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2Na"	45.978436
"1407263"	105.715904	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H+2Na"	46.985712
"1439745"	317.174746	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H+HCOOH"	47.012746
"231628"	298.18424	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+3H2O+2H"	56.04448
"1518599"	331.22679	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+IsoProp+H"	61.06479
"421197"	301.138188	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+Na+K"	61.952376
"781465"	436.219188	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+Na+K"	61.952376
"1675975"	166.057188	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Na+K"	61.952376
"261399"	604.339768	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+ACN+Na"	64.015768
"1233012"	334.177768	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+ACN+Na"	64.015768
"1713349"	334.201293	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+NH4+HCOOH"	64.039293
"1193340"	113.043218	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+3Na"	68.967654
"1662626"	339.156688	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Na+HCOOH"	68.994688
"170580"	617.24304	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+2K-H"	76.91904
"605767"	887.40504	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+2K-H"	76.91904
"1088092"	347.08104	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2K-H"	76.91904
"146001"	309.125158	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"2M+2K"	77.926316
"592126"	444.206158	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"3M+2K"	77.926316
"1076642"	174.044158	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2K"	77.926316
"1105476"	349.095592	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2K+H"	78.933592
"1340767"	349.183207	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+DMSO+H"	79.021207
"1015862"	353.222376	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2ACN+H"	83.060376
"1535081"	354.216008	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+IsoProp+Na+H"	84.054008
"997154"	177.114826	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+2ACN+2H"	84.067652
"1596031"	355.130628	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+K+HCOOH"	84.968628
"1426065"	385.162138	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+H+CF3COOH"	115.000138
"1160729"	197.628101	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+3ACN+2H"	125.094202
"1710280"	402.188685	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+NH4+CF3COOH"	132.026685
"1645930"	407.14408	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+Na+CF3COOH"	136.98208
"1583767"	423.11802	"C14590"	"Estra-135(10)6-tetraen-317beta-diol;6-Dehydroestradiol"	"C18H22O2"	"270.162"	"M+K+CF3COOH"	152.95602
"804290"	195.0684	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M"	0
"976363"	176.05001	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-H2O-H"	-19.01839
"73720"	129.038324	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M-3H"	-3.021828
"513280"	194.061124	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M-3H"	-3.021828
"893998"	64.015524	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-3H"	-3.021828
"8566"	194.061124	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M-2H"	-2.014552
"453592"	291.595324	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M-2H"	-2.014552
"823743"	96.526924	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-2H"	-2.014552
"84829"	389.129524	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M-H"	-1.007276
"526579"	584.197924	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M-H"	-1.007276
"903285"	194.061124	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-H"	-1.007276
"55473"	406.156071	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M-2H+NH4"	16.019271
"497219"	601.224471	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M-2H+NH4"	16.019271
"871738"	211.087671	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-2H+NH4"	16.019271
"37453"	411.111466	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M-2H+Na"	20.974666
"474823"	606.179866	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M-2H+Na"	20.974666
"850441"	216.043066	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-2H+Na"	20.974666
"1619244"	216.043066	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Na-2H"	20.974666
"95890"	212.049463	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M-H+Cl"	33.962126
"535331"	309.583663	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M-H+Cl"	33.962126
"928844"	114.515263	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-H+Cl"	33.962126
"268491"	425.106202	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+Cl"	34.969402
"661648"	620.174602	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+Cl"	34.969402
"1279527"	230.037802	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Cl"	34.969402
"25366"	427.085406	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M-2H+K"	36.948606
"456663"	622.153806	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M-2H+K"	36.948606
"840543"	232.017006	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-2H+K"	36.948606
"1564029"	232.017006	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+K-2H"	36.948606
"948634"	240.066594	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-H+HCOOH"	44.998194
"365753"	435.135001	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+HCOOH-H"	44.998201
"350366"	449.150651	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+Hac-H"	59.013851
"1498105"	254.082251	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Hac-H"	59.013851
"962002"	262.048551	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-H+NaCOOH"	66.980151
"111879"	230.037802	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+2Cl"	69.938804
"552294"	327.572002	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+2Cl"	69.938804
"1030939"	132.503602	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2Cl"	69.938804
"1251611"	273.987285	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Br"	78.918885
"1310049"	276.043272	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Cl+HCOOH"	80.974872
"1327182"	298.025229	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Cl+NaCOOH"	102.956829
"925897"	308.053986	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M-H+CF3COOH"	112.985586
"1302972"	344.030664	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Cl+CF3COOH"	148.962264
"1378580"	160.055724	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H-2H2O"	-35.012676
"1386234"	178.0657	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H-H2O"	-17.0027
"284103"	391.144076	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+H"	1.007276
"677254"	586.212476	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+H"	1.007276
"1357979"	196.075676	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H"	1.007276
"137796"	196.075676	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+2H"	2.014552
"576992"	293.609876	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+2H"	2.014552
"1043604"	98.541476	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2H"	2.014552
"211503"	131.052876	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+3H"	3.021828
"652157"	196.075676	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+3H"	3.021828
"1168096"	66.030076	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+3H"	3.021828
"431367"	408.170623	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+NH4"	18.033823
"794549"	603.239023	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+NH4"	18.033823
"1693067"	213.102223	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+NH4"	18.033823
"338064"	204.5889495	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+H+NH4"	19.041099
"731583"	302.1231495	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+H+NH4"	19.041099
"1485402"	107.0547495	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H+NH4"	19.041099
"402987"	413.126018	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+Na"	22.989218
"765084"	608.194418	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+Na"	22.989218
"1614276"	218.057618	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Na"	22.989218
"327472"	207.066647	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+H+Na"	23.996494
"720013"	304.600847	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+H+Na"	23.996494
"1470553"	109.532447	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H+Na"	23.996494
"1064891"	73.35739	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2H+Na"	25.00377
"1267665"	228.101886	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+CH3OH+H"	33.033486
"385144"	429.099958	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+K"	38.963158
"743954"	624.168358	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+K"	38.963158
"1546005"	234.031558	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+K"	38.963158
"306471"	215.053617	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+H+K"	39.970434
"703265"	312.587817	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+H+K"	39.970434
"1458180"	117.519417	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H+K"	39.970434
"247874"	432.170626	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+ACN+H"	42.033826
"1218399"	237.102226	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+ACN+H"	42.033826
"1205559"	119.054751	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+ACN+2H"	43.041102
"200617"	435.10796	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+2Na-H"	44.97116
"641275"	630.17636	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+2Na-H"	44.97116
"1142592"	240.03956	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2Na-H"	44.97116
"181511"	218.057618	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+2Na"	45.978436
"624719"	315.591818	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+2Na"	45.978436
"1126401"	120.523418	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2Na"	45.978436
"1409561"	80.684704	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H+2Na"	46.985712
"1439125"	242.081146	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H+HCOOH"	47.012746
"228823"	223.09064	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+3H2O+2H"	56.04448
"1520166"	256.13319	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+IsoProp+H"	61.06479
"421673"	226.044588	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+Na+K"	61.952376
"775377"	323.578788	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+Na+K"	61.952376
"1671711"	128.510388	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Na+K"	61.952376
"258229"	454.152568	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+ACN+Na"	64.015768
"1232029"	259.084168	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+ACN+Na"	64.015768
"1713987"	259.107693	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+NH4+HCOOH"	64.039293
"1193456"	88.012018	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+3Na"	68.967654
"1664684"	264.063088	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Na+HCOOH"	68.994688
"172516"	467.05584	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+2K-H"	76.91904
"600772"	662.12424	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+2K-H"	76.91904
"1093669"	271.98744	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2K-H"	76.91904
"151578"	234.031558	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"2M+2K"	77.926316
"587862"	331.565758	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"3M+2K"	77.926316
"1077845"	136.497358	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2K"	77.926316
"1105586"	274.001992	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2K+H"	78.933592
"1341970"	274.089607	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+DMSO+H"	79.021207
"1015971"	278.128776	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2ACN+H"	83.060376
"1535190"	279.122408	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+IsoProp+Na+H"	84.054008
"998357"	139.568026	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+2ACN+2H"	84.067652
"1596141"	280.037028	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+K+HCOOH"	84.968628
"1427268"	310.068538	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+H+CF3COOH"	115.000138
"1162661"	160.081301	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+3ACN+2H"	125.094202
"1712540"	327.095085	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+NH4+CF3COOH"	132.026685
"1647133"	332.05048	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+Na+CF3COOH"	136.98208
"1583877"	348.02442	"C14591"	"Pyridarone;4-(2-Benzofuranyl)pyridine"	"C13H9NO"	"195.0684"	"M+K+CF3COOH"	152.95602
"809868"	147.0392	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M"	0
"981212"	128.02081	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-H2O-H"	-19.01839
"77112"	97.0188573333333	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M-3H"	-3.021828
"517402"	146.031924	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M-3H"	-3.021828
"892288"	48.0057906666667	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-3H"	-3.021828
"11957"	146.031924	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M-2H"	-2.014552
"452608"	219.551524	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M-2H"	-2.014552
"822761"	72.512324	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-2H"	-2.014552
"91501"	293.071124	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M-H"	-1.007276
"529969"	440.110324	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M-H"	-1.007276
"904489"	146.031924	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-H"	-1.007276
"56678"	310.097671	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M-2H+NH4"	16.019271
"497330"	457.136871	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M-2H+NH4"	16.019271
"872942"	163.058471	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-2H+NH4"	16.019271
"38656"	315.053066	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M-2H+Na"	20.974666
"477484"	462.092266	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M-2H+Na"	20.974666
"849580"	168.013866	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-2H+Na"	20.974666
"1620087"	168.013866	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Na-2H"	20.974666
"96609"	164.020263	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M-H+Cl"	33.962126
"536534"	237.539863	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M-H+Cl"	33.962126
"928956"	90.500663	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-H+Cl"	33.962126
"270061"	329.047802	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+Cl"	34.969402
"662124"	476.087002	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+Cl"	34.969402
"1277450"	182.008602	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Cl"	34.969402
"22194"	331.027006	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M-2H+K"	36.948606
"462849"	478.066206	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M-2H+K"	36.948606
"846849"	183.987806	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-2H+K"	36.948606
"1564139"	183.987806	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+K-2H"	36.948606
"946558"	192.037394	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-H+HCOOH"	44.998194
"368053"	339.076601	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+HCOOH-H"	44.998201
"349748"	353.092251	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+Hac-H"	59.013851
"1498581"	206.053051	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Hac-H"	59.013851
"962115"	214.019351	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-H+NaCOOH"	66.980151
"115031"	182.008602	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+2Cl"	69.938804
"558970"	255.528202	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+2Cl"	69.938804
"1033604"	108.489002	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2Cl"	69.938804
"1252815"	225.958085	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Br"	78.918885
"1313076"	228.014072	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Cl+HCOOH"	80.974872
"1326199"	249.996029	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Cl+NaCOOH"	102.956829
"926006"	260.024786	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M-H+CF3COOH"	112.985586
"1299435"	296.001464	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Cl+CF3COOH"	148.962264
"1373222"	112.026524	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H-2H2O"	-35.012676
"1385249"	130.0365	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H-H2O"	-17.0027
"284213"	295.085676	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+H"	1.007276
"677361"	442.124876	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+H"	1.007276
"1358089"	148.046476	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H"	1.007276
"131341"	148.046476	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+2H"	2.014552
"578924"	221.566076	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+2H"	2.014552
"1050275"	74.526876	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2H"	2.014552
"211613"	99.0334093333333	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+3H"	3.021828
"654454"	148.046476	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+3H"	3.021828
"1173673"	50.0203426666667	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+3H"	3.021828
"433664"	312.112223	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+NH4"	18.033823
"794659"	459.151423	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+NH4"	18.033823
"1694270"	165.073023	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+NH4"	18.033823
"338175"	156.5597495	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+H+NH4"	19.041099
"734973"	230.0793495	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+H+NH4"	19.041099
"1486606"	83.0401495	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H+NH4"	19.041099
"399817"	317.067618	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+Na"	22.989218
"767382"	464.106818	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+Na"	22.989218
"1616573"	170.028418	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Na"	22.989218
"321143"	159.037447	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+H+Na"	23.996494
"717938"	232.557047	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+H+Na"	23.996494
"1472852"	85.517847	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H+Na"	23.996494
"1059535"	57.3476566666667	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2H+Na"	25.00377
"1266682"	180.072686	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+CH3OH+H"	33.033486
"385256"	333.041558	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+K"	38.963158
"747345"	480.080758	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+K"	38.963158
"1549398"	186.002358	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+K"	38.963158
"306581"	167.024417	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+H+K"	39.970434
"703375"	240.544017	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+H+K"	39.970434
"1460355"	93.504817	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H+K"	39.970434
"247984"	336.112226	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+ACN+H"	42.033826
"1218509"	189.073026	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+ACN+H"	42.033826
"1204577"	95.040151	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+ACN+2H"	43.041102
"201821"	339.04956	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+2Na-H"	44.97116
"639198"	486.08876	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+2Na-H"	44.97116
"1143796"	192.01036	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2Na-H"	44.97116
"181622"	170.028418	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+2Na"	45.978436
"623371"	243.548018	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+2Na"	45.978436
"1125782"	96.508818	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2Na"	45.978436
"1408214"	64.6749706666667	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H+2Na"	46.985712
"1439237"	194.051946	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H+HCOOH"	47.012746
"228932"	175.06144	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+3H2O+2H"	56.04448
"1516994"	208.10399	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+IsoProp+H"	61.06479
"418865"	178.015388	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+Na+K"	61.952376
"775485"	251.534988	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+Na+K"	61.952376
"1671814"	104.495788	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Na+K"	61.952376
"256145"	358.094168	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+ACN+Na"	64.015768
"1228489"	211.054968	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+ACN+Na"	64.015768
"1714460"	211.078493	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+NH4+HCOOH"	64.039293
"1192955"	72.0022846666667	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+3Na"	68.967654
"1665035"	216.033888	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Na+HCOOH"	68.994688
"172142"	370.99744	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+2K-H"	76.91904
"604892"	518.03664	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+2K-H"	76.91904
"1091592"	223.95824	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2K-H"	76.91904
"147313"	186.002358	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"2M+2K"	77.926316
"587972"	259.521958	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"3M+2K"	77.926316
"1077955"	112.482758	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2K"	77.926316
"1111164"	225.972792	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2K+H"	78.933592
"1345361"	226.060407	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+DMSO+H"	79.021207
"1014988"	230.099576	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2ACN+H"	83.060376
"1536394"	231.093208	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+IsoProp+Na+H"	84.054008
"998467"	115.553426	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+2ACN+2H"	84.067652
"1596251"	232.007828	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+K+HCOOH"	84.968628
"1427378"	262.039338	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+H+CF3COOH"	115.000138
"1150012"	136.066701	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+3ACN+2H"	125.094202
"1708312"	279.065885	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+NH4+CF3COOH"	132.026685
"1647243"	284.02128	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+Na+CF3COOH"	136.98208
"1583987"	299.99522	"C14592"	"N-Methyl-N-nitro-N-nitrosoguanidine;1-Methyl-3-nitro-1-nitrosoguanidine;Methylnitronitrosoguanidine;MNNG"	"C2H5N5O3"	"147.0392"	"M+K+CF3COOH"	152.95602
"811071"	302.1882	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M"	0
"989675"	283.16981	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"77226"	200.451524	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"518252"	301.180924	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"895356"	99.722124	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"14255"	301.180924	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"453816"	452.275024	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"827244"	150.086824	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"91611"	603.369124	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"531172"	905.557324	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"907881"	301.180924	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"56791"	620.395671	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"500357"	922.583871	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"878278"	318.207471	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"42047"	625.351066	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"482701"	927.539266	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"850300"	323.162866	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1620319"	323.162866	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"96725"	319.169263	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"537013"	470.263363	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"930527"	168.075163	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"267990"	639.345802	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"668433"	941.534002	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1280842"	337.157602	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"27772"	641.325006	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"460771"	943.513206	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"844042"	339.136806	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1570447"	339.136806	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"952136"	347.186394	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"371443"	649.374601	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"351680"	663.390251	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1499785"	361.202051	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"963318"	369.168351	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"116236"	337.157602	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"561271"	488.251702	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1032252"	186.063502	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1252925"	381.107085	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1313185"	383.163072	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1332870"	405.145029	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"926117"	415.173786	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1302462"	451.150464	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1378434"	267.175524	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1388641"	285.1855	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"285051"	605.383676	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"679294"	907.571876	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1354552"	303.195476	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"128899"	303.195476	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"580127"	454.289576	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1051114"	152.101376	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"217922"	202.466076	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"657845"	303.195476	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1174514"	101.736676	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"437784"	622.410223	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"794770"	924.598423	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1695111"	320.222023	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"339379"	311.7087495	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"732899"	462.8028495	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1485624"	160.6146495	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"404302"	627.365618	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"769196"	929.553818	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1617535"	325.177418	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"326720"	314.186447	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"720236"	465.280547	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1472966"	163.092347	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1062926"	109.06399	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1271166"	335.221686	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"388648"	643.339558	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"753655"	945.527758	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1553884"	341.151358	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"306691"	322.173417	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"700205"	473.267517	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1460465"	171.079317	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"249187"	646.410226	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1221899"	344.222026	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1206877"	172.614651	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"201934"	649.34756	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"644093"	951.53576	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1145004"	347.15936	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"188215"	325.177418	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"626397"	476.271518	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1127716"	174.083318	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1411969"	116.391304	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1442992"	349.200946	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"231229"	330.21044	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1521479"	363.25299	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"421162"	333.164388	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"779968"	484.258488	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1674110"	182.070288	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"260630"	668.392168	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1233339"	366.203968	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1718944"	366.227493	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1193065"	123.718618	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1664782"	371.182888	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"172126"	681.29544	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"601722"	983.48364	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1089515"	379.10724	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"151798"	341.151358	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"585895"	492.245458	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1071504"	190.057258	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1109088"	381.121792	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1345473"	381.209407	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1012911"	385.248576	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1533224"	386.242208	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"995297"	193.127926	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1593081"	387.156828	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1426395"	417.188338	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1150122"	213.641201	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1702953"	434.214885	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1647355"	439.17028	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1584097"	455.14422	"C14593"	"Epimestrol;3-Methoxy-17-epiestriol;3-Methoxyestra-135(10)-triene-16alpha17alpha-diol"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"817050"	350.2457	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M"	0
"989799"	331.22731	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H2O-H"	-19.01839
"78546"	232.489857333333	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-3H"	-3.021828
"518392"	349.238424	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-3H"	-3.021828
"894696"	115.741290666667	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-3H"	-3.021828
"12914"	349.238424	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H"	-2.014552
"455430"	524.361274	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H"	-2.014552
"832753"	174.115574	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H"	-2.014552
"93911"	699.484124	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-H"	-1.007276
"532014"	1049.729824	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-H"	-1.007276
"909814"	349.238424	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H"	-1.007276
"60909"	716.510671	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H+NH4"	16.019271
"498646"	1066.756371	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H+NH4"	16.019271
"875352"	366.264971	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H+NH4"	16.019271
"42156"	721.466066	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H+Na"	20.974666
"484997"	1071.711766	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H+Na"	20.974666
"850045"	371.220366	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H+Na"	20.974666
"1621403"	371.220366	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na-2H"	20.974666
"97930"	367.226763	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-H+Cl"	33.962126
"536393"	542.349613	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-H+Cl"	33.962126
"928815"	192.103913	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+Cl"	33.962126
"267736"	735.460802	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Cl"	34.969402
"662347"	1085.706502	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+Cl"	34.969402
"1287271"	385.215102	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl"	34.969402
"27882"	737.440006	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H+K"	36.948606
"460881"	1087.685706	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H+K"	36.948606
"844152"	387.194306	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H+K"	36.948606
"1569100"	387.194306	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K-2H"	36.948606
"954065"	395.243894	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+HCOOH"	44.998194
"368275"	745.489601	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+HCOOH-H"	44.998201
"355437"	759.505251	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Hac-H"	59.013851
"1499896"	409.259551	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Hac-H"	59.013851
"964524"	417.225851	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+NaCOOH"	66.980151
"113794"	385.215102	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2Cl"	69.938804
"563202"	560.337952	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2Cl"	69.938804
"1033457"	210.092252	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2Cl"	69.938804
"1254131"	429.164585	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Br"	78.918885
"1314390"	431.220572	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl+HCOOH"	80.974872
"1331887"	453.202529	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl+NaCOOH"	102.956829
"926475"	463.231286	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+CF3COOH"	112.985586
"1303872"	499.207964	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl+CF3COOH"	148.962264
"1374536"	315.233024	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H-2H2O"	-35.012676
"1397141"	333.243	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H-H2O"	-17.0027
"287714"	701.498676	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H"	1.007276
"680863"	1051.744376	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H"	1.007276
"1355391"	351.252976	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H"	1.007276
"131195"	351.252976	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2H"	2.014552
"580238"	526.375826	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2H"	2.014552
"1050862"	176.130126	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2H"	2.014552
"218762"	234.504409333333	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+3H"	3.021828
"657590"	351.252976	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+3H"	3.021828
"1173893"	117.755842666667	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+3H"	3.021828
"437894"	718.525223	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+NH4"	18.033823
"796703"	1068.770923	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+NH4"	18.033823
"1694128"	368.279523	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+NH4"	18.033823
"343137"	359.7662495	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H+NH4"	19.041099
"735196"	534.8890995	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H+NH4"	19.041099
"1489744"	184.6433995	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+NH4"	19.041099
"405143"	723.480618	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Na"	22.989218
"769551"	1073.726318	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+Na"	22.989218
"1616799"	373.234918	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na"	22.989218
"327928"	362.243947	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H+Na"	23.996494
"720713"	537.366797	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H+Na"	23.996494
"1476680"	187.121097	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+Na"	23.996494
"1068062"	125.083156666667	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2H+Na"	25.00377
"1270184"	383.279186	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+CH3OH+H"	33.033486
"389858"	739.454558	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+K"	38.963158
"753646"	1089.700258	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+K"	38.963158
"1554360"	389.208858	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K"	38.963158
"311176"	370.230917	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H+K"	39.970434
"704693"	545.353767	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H+K"	39.970434
"1459244"	195.108067	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+K"	39.970434
"249306"	742.525226	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+ACN+H"	42.033826
"1224200"	392.279526	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+ACN+H"	42.033826
"1208448"	196.643401	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+ACN+2H"	43.041102
"203751"	745.46256	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2Na-H"	44.97116
"643436"	1095.70826	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2Na-H"	44.97116
"1146785"	395.21686	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2Na-H"	44.97116
"187317"	373.234918	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2Na"	45.978436
"628213"	548.357768	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2Na"	45.978436
"1130377"	198.112068	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2Na"	45.978436
"1413904"	132.410470666667	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+2Na"	46.985712
"1442737"	397.258446	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+HCOOH"	47.012746
"229155"	378.26794	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+3H2O+2H"	56.04448
"1521957"	411.31049	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+IsoProp+H"	61.06479
"421275"	381.221888	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Na+K"	61.952376
"781176"	556.344738	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+Na+K"	61.952376
"1673133"	206.099038	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na+K"	61.952376
"257464"	764.507168	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+ACN+Na"	64.015768
"1234544"	414.261468	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+ACN+Na"	64.015768
"1720514"	414.284993	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+NH4+HCOOH"	64.039293
"1193661"	139.737784666667	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+3Na"	68.967654
"1664649"	419.240388	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na+HCOOH"	68.994688
"172120"	777.41044	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2K-H"	76.91904
"612525"	1127.65614	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2K-H"	76.91904
"1097279"	427.16474	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2K-H"	76.91904
"154095"	389.208858	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2K"	77.926316
"594753"	564.331708	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2K"	77.926316
"1075986"	214.086008	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2K"	77.926316
"1103729"	429.179292	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2K+H"	78.933592
"1342301"	429.266907	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+DMSO+H"	79.021207
"1014112"	433.306076	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2ACN+H"	83.060376
"1527866"	434.299708	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+IsoProp+Na+H"	84.054008
"995407"	217.156676	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2ACN+2H"	84.067652
"1596472"	435.214328	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K+HCOOH"	84.968628
"1424318"	465.245838	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+CF3COOH"	115.000138
"1153512"	237.669951	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+3ACN+2H"	125.094202
"1703063"	482.272385	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+NH4+CF3COOH"	132.026685
"1647463"	487.22778	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na+CF3COOH"	136.98208
"1584207"	503.20172	"C14594"	"3alpha17alpha21-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-11-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K+CF3COOH"	152.95602
"808010"	103.0382	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M"	0
"988840"	84.01981	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-H2O-H"	-19.01839
"78178"	67.6848573333333	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M-3H"	-3.021828
"518227"	102.030924	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M-3H"	-3.021828
"895052"	33.3387906666667	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-3H"	-3.021828
"13998"	102.030924	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M-2H"	-2.014552
"454410"	153.550024	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M-2H"	-2.014552
"831841"	50.511824	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-2H"	-2.014552
"92200"	205.069124	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M-H"	-1.007276
"530300"	308.107324	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M-H"	-1.007276
"907740"	102.030924	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-H"	-1.007276
"61021"	222.095671	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M-2H+NH4"	16.019271
"497662"	325.133871	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M-2H+NH4"	16.019271
"876555"	119.057471	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-2H+NH4"	16.019271
"38987"	227.051066	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M-2H+Na"	20.974666
"484014"	330.089266	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M-2H+Na"	20.974666
"855260"	124.012866	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-2H+Na"	20.974666
"1623699"	124.012866	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Na-2H"	20.974666
"100227"	120.019263	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M-H+Cl"	33.962126
"536870"	171.538363	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M-H+Cl"	33.962126
"927952"	68.500163	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-H+Cl"	33.962126
"271859"	241.045802	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+Cl"	34.969402
"662093"	344.084002	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+Cl"	34.969402
"1275595"	138.007602	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Cl"	34.969402
"27992"	243.025006	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M-2H+K"	36.948606
"460991"	346.063206	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M-2H+K"	36.948606
"840981"	139.986806	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-2H+K"	36.948606
"1565562"	139.986806	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+K-2H"	36.948606
"953445"	148.036394	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-H+HCOOH"	44.998194
"375309"	251.074601	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+HCOOH-H"	44.998201
"353359"	265.090251	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+Hac-H"	59.013851
"1503285"	162.052051	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Hac-H"	59.013851
"960986"	170.018351	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-H+NaCOOH"	66.980151
"112810"	138.007602	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+2Cl"	69.938804
"559301"	189.526702	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+2Cl"	69.938804
"1032474"	86.488502	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2Cl"	69.938804
"1247311"	181.957085	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Br"	78.918885
"1314500"	184.013072	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Cl+HCOOH"	80.974872
"1331997"	205.995029	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Cl+NaCOOH"	102.956829
"920868"	216.023786	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M-H+CF3COOH"	112.985586
"1299765"	252.000464	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Cl+CF3COOH"	148.962264
"1372458"	68.025524	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H-2H2O"	-35.012676
"1398225"	86.0355	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H-H2O"	-17.0027
"286366"	207.083676	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+H"	1.007276
"680974"	310.121876	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+H"	1.007276
"1355137"	104.045476	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H"	1.007276
"131305"	104.045476	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+2H"	2.014552
"578524"	155.564576	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+2H"	2.014552
"1052067"	52.526376	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2H"	2.014552
"219115"	69.6994093333333	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+3H"	3.021828
"658434"	104.045476	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+3H"	3.021828
"1176190"	35.3533426666667	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+3H"	3.021828
"439628"	224.110223	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+NH4"	18.033823
"796813"	327.148423	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+NH4"	18.033823
"1692417"	121.072023	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+NH4"	18.033823
"343247"	112.5587495	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+H+NH4"	19.041099
"735306"	164.0778495	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+H+NH4"	19.041099
"1488032"	61.0396495	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H+NH4"	19.041099
"406714"	229.065618	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+Na"	22.989218
"769708"	332.103818	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+Na"	22.989218
"1617763"	126.027418	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Na"	22.989218
"329932"	115.036447	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+H+Na"	23.996494
"722377"	166.555547	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+H+Na"	23.996494
"1476471"	63.517347	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H+Na"	23.996494
"1068382"	42.6806566666667	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2H+Na"	25.00377
"1271998"	136.071686	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+CH3OH+H"	33.033486
"391794"	245.039558	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+K"	38.963158
"752789"	348.077758	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+K"	38.963158
"1553011"	142.001358	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+K"	38.963158
"313112"	123.023417	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+H+K"	39.970434
"706795"	174.542517	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+H+K"	39.970434
"1460977"	71.504317	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H+K"	39.970434
"250511"	248.110226	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+ACN+H"	42.033826
"1222494"	145.072026	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+ACN+H"	42.033826
"1208928"	73.039651	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+ACN+2H"	43.041102
"203621"	251.04756	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+2Na-H"	44.97116
"643916"	354.08576	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+2Na-H"	44.97116
"1146974"	148.00936	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2Na-H"	44.97116
"188482"	126.027418	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+2Na"	45.978436
"628473"	177.546518	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+2Na"	45.978436
"1130938"	74.508318	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2Na"	45.978436
"1413492"	50.0079706666667	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H+2Na"	46.985712
"1444675"	150.050946	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H+HCOOH"	47.012746
"234372"	131.06044	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+3H2O+2H"	56.04448
"1524134"	164.10299	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+IsoProp+H"	61.06479
"424228"	134.014388	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+Na+K"	61.952376
"784204"	185.533488	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+Na+K"	61.952376
"1673245"	82.495288	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Na+K"	61.952376
"264137"	270.092168	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+ACN+Na"	64.015768
"1233564"	167.053968	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+ACN+Na"	64.015768
"1720262"	167.077493	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+NH4+HCOOH"	64.039293
"1194096"	57.3352846666667	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+3Na"	68.967654
"1663912"	172.032888	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Na+HCOOH"	68.994688
"172109"	282.99544	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+2K-H"	76.91904
"612726"	386.03364	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+2K-H"	76.91904
"1094108"	179.95724	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2K-H"	76.91904
"156637"	142.001358	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"2M+2K"	77.926316
"596444"	193.520458	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"3M+2K"	77.926316
"1075006"	90.482258	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2K"	77.926316
"1101775"	181.971792	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2K+H"	78.933592
"1343506"	182.059407	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+DMSO+H"	79.021207
"1016409"	186.098576	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2ACN+H"	83.060376
"1529069"	187.092208	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+IsoProp+Na+H"	84.054008
"995517"	93.552926	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+2ACN+2H"	84.067652
"1594395"	188.006828	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+K+HCOOH"	84.968628
"1422241"	218.038338	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+H+CF3COOH"	115.000138
"1153623"	114.066201	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+3ACN+2H"	125.094202
"1702080"	235.064885	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+NH4+CF3COOH"	132.026685
"1644295"	240.02028	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+Na+CF3COOH"	136.98208
"1584317"	255.99422	"C14595"	"Methylnitrosourea;N-Methyl-N-nitrosourea;NMH"	"C2H5N3O2"	"103.0382"	"M+K+CF3COOH"	152.95602
"804840"	419.246	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M"	0
"983841"	400.22761	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-H2O-H"	-19.01839
"77309"	278.490057333333	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M-3H"	-3.021828
"518293"	418.238724	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M-3H"	-3.021828
"893823"	138.741390666667	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-3H"	-3.021828
"13499"	418.238724	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M-2H"	-2.014552
"453053"	627.861724	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M-2H"	-2.014552
"829761"	208.615724	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-2H"	-2.014552
"91943"	837.484724	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M-H"	-1.007276
"530046"	1256.730724	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M-H"	-1.007276
"906026"	418.238724	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-H"	-1.007276
"57120"	854.511271	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M-2H+NH4"	16.019271
"498501"	1273.757271	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M-2H+NH4"	16.019271
"875572"	435.265271	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-2H+NH4"	16.019271
"38005"	859.466666	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M-2H+Na"	20.974666
"480844"	1278.712666	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M-2H+Na"	20.974666
"854277"	440.220666	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-2H+Na"	20.974666
"1618662"	440.220666	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Na-2H"	20.974666
"94782"	436.227063	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M-H+Cl"	33.962126
"534746"	645.850063	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M-H+Cl"	33.962126
"927942"	226.604063	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-H+Cl"	33.962126
"267711"	873.461402	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+Cl"	34.969402
"660170"	1292.707402	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+Cl"	34.969402
"1275704"	454.215402	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Cl"	34.969402
"19354"	875.440606	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M-2H+K"	36.948606
"456318"	1294.686606	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M-2H+K"	36.948606
"844371"	456.194606	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-2H+K"	36.948606
"1559110"	456.194606	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+K-2H"	36.948606
"952461"	464.244194	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-H+HCOOH"	44.998194
"366670"	883.490201	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+HCOOH-H"	44.998201
"347636"	897.505851	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+Hac-H"	59.013851
"1496833"	478.259851	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Hac-H"	59.013851
"962191"	486.226151	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-H+NaCOOH"	66.980151
"114015"	454.215402	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+2Cl"	69.938804
"560870"	663.838402	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+2Cl"	69.938804
"1028210"	244.592402	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2Cl"	69.938804
"1246692"	498.164885	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Br"	78.918885
"1312424"	500.220872	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Cl+HCOOH"	80.974872
"1332473"	522.202829	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Cl+NaCOOH"	102.956829
"916605"	532.231586	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M-H+CF3COOH"	112.985586
"1298781"	568.208264	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Cl+CF3COOH"	148.962264
"1373661"	384.233324	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H-2H2O"	-35.012676
"1396875"	402.2433	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H-H2O"	-17.0027
"287204"	839.499276	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+H"	1.007276
"681083"	1258.745276	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+H"	1.007276
"1356341"	420.253276	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H"	1.007276
"134697"	420.253276	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+2H"	2.014552
"576447"	629.876276	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+2H"	2.014552
"1047433"	210.630276	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2H"	2.014552
"216429"	280.504609333333	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+3H"	3.021828
"658541"	420.253276	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+3H"	3.021828
"1174117"	140.755942666667	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+3H"	3.021828
"434107"	856.525823	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+NH4"	18.033823
"794010"	1275.771823	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+NH4"	18.033823
"1690341"	437.279823	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+NH4"	18.033823
"339713"	428.7665495	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+H+NH4"	19.041099
"733230"	638.3895495	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+H+NH4"	19.041099
"1487049"	219.1435495	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H+NH4"	19.041099
"406824"	861.481218	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+Na"	22.989218
"769409"	1280.727218	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+Na"	22.989218
"1617266"	442.235218	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Na"	22.989218
"328635"	431.244247	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+H+Na"	23.996494
"722274"	640.867247	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+H+Na"	23.996494
"1475852"	221.621247	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H+Na"	23.996494
"1067391"	148.083256666667	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2H+Na"	25.00377
"1271494"	452.279486	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+CH3OH+H"	33.033486
"392504"	877.455158	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+K"	38.963158
"753254"	1296.701158	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+K"	38.963158
"1553850"	458.209158	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+K"	38.963158
"312494"	439.231217	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+H+K"	39.970434
"705521"	648.854217	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+H+K"	39.970434
"1459100"	229.608217	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H+K"	39.970434
"249529"	880.525826	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+ACN+H"	42.033826
"1222968"	461.279826	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+ACN+H"	42.033826
"1208308"	231.143551	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+ACN+2H"	43.041102
"203004"	883.46316	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+2Na-H"	44.97116
"642929"	1302.70916	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+2Na-H"	44.97116
"1146843"	464.21716	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2Na-H"	44.97116
"187297"	442.235218	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+2Na"	45.978436
"628318"	651.858218	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+2Na"	45.978436
"1130237"	232.612218	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2Na"	45.978436
"1413885"	155.410570666667	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H+2Na"	46.985712
"1444784"	466.258746	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H+HCOOH"	47.012746
"234483"	447.26824	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+3H2O+2H"	56.04448
"1523640"	480.31079	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+IsoProp+H"	61.06479
"424054"	450.222188	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+Na+K"	61.952376
"785369"	659.845188	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+Na+K"	61.952376
"1675542"	240.599188	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Na+K"	61.952376
"263518"	902.507768	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+ACN+Na"	64.015768
"1234768"	483.261768	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+ACN+Na"	64.015768
"1720374"	483.285293	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+NH4+HCOOH"	64.039293
"1193718"	162.737884666667	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+3Na"	68.967654
"1664020"	488.240688	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Na+HCOOH"	68.994688
"170517"	915.41104	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+2K-H"	76.91904
"611170"	1334.65704	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+2K-H"	76.91904
"1098350"	496.16504	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2K-H"	76.91904
"154925"	458.209158	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"2M+2K"	77.926316
"595820"	667.832158	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"3M+2K"	77.926316
"1081674"	248.586158	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2K"	77.926316
"1107231"	498.179592	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2K+H"	78.933592
"1342525"	498.267207	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+DMSO+H"	79.021207
"1017613"	502.306376	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2ACN+H"	83.060376
"1528086"	503.300008	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+IsoProp+Na+H"	84.054008
"996721"	251.656826	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+2ACN+2H"	84.067652
"1594505"	504.214628	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+K+HCOOH"	84.968628
"1421258"	534.246138	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+H+CF3COOH"	115.000138
"1153733"	272.170101	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+3ACN+2H"	125.094202
"1703283"	551.272685	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+NH4+CF3COOH"	132.026685
"1648776"	556.22808	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+Na+CF3COOH"	136.98208
"1584427"	572.20202	"C14596"	"Ethamoxytriphetol;4-Methoxy-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C27H33NO3"	"419.246"	"M+K+CF3COOH"	152.95602
"816857"	265.1103	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M"	0
"987961"	246.09191	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-H2O-H"	-19.01839
"77911"	175.732924	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M-3H"	-3.021828
"517842"	264.103024	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M-3H"	-3.021828
"894793"	87.362824	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-3H"	-3.021828
"15187"	264.103024	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M-2H"	-2.014552
"455233"	396.658174	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M-2H"	-2.014552
"830968"	131.547874	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-2H"	-2.014552
"91208"	529.213324	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M-H"	-1.007276
"530524"	794.323624	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M-H"	-1.007276
"907960"	264.103024	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-H"	-1.007276
"59054"	546.239871	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M-2H+NH4"	16.019271
"499706"	811.350171	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M-2H+NH4"	16.019271
"875683"	281.129571	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-2H+NH4"	16.019271
"40302"	551.195266	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M-2H+Na"	20.974666
"478767"	816.305566	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M-2H+Na"	20.974666
"853294"	286.084966	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-2H+Na"	20.974666
"1619545"	286.084966	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Na-2H"	20.974666
"96073"	282.091363	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M-H+Cl"	33.962126
"535747"	414.646513	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M-H+Cl"	33.962126
"928655"	149.536213	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-H+Cl"	33.962126
"268548"	565.190002	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+Cl"	34.969402
"661333"	830.300302	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+Cl"	34.969402
"1273504"	300.079702	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Cl"	34.969402
"19464"	567.169206	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M-2H+K"	36.948606
"456348"	832.279506	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M-2H+K"	36.948606
"844481"	302.058906	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-2H+K"	36.948606
"1559220"	302.058906	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+K-2H"	36.948606
"949291"	310.108494	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-H+HCOOH"	44.998194
"368598"	575.218801	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+HCOOH-H"	44.998201
"353575"	589.234451	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+Hac-H"	59.013851
"1495850"	324.124151	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Hac-H"	59.013851
"962665"	332.090451	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-H+NaCOOH"	66.980151
"114489"	300.079702	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+2Cl"	69.938804
"562441"	432.634852	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+2Cl"	69.938804
"1031602"	167.524552	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2Cl"	69.938804
"1247899"	344.029185	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Br"	78.918885
"1311805"	346.085172	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Cl+HCOOH"	80.974872
"1333313"	368.067129	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Cl+NaCOOH"	102.956829
"917808"	378.095886	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M-H+CF3COOH"	112.985586
"1299620"	414.072564	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Cl+CF3COOH"	148.962264
"1373772"	230.097624	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H-2H2O"	-35.012676
"1392364"	248.1076	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H-H2O"	-17.0027
"294242"	531.227876	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+H"	1.007276
"683381"	796.338176	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+H"	1.007276
"1365199"	266.117576	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H"	1.007276
"140277"	266.117576	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+2H"	2.014552
"579838"	398.672726	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+2H"	2.014552
"1051798"	133.562426	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2H"	2.014552
"218730"	177.747476	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+3H"	3.021828
"656830"	266.117576	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+3H"	3.021828
"1177144"	89.377376	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+3H"	3.021828
"436408"	548.254423	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+NH4"	18.033823
"798496"	813.364723	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+NH4"	18.033823
"1692639"	283.144123	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+NH4"	18.033823
"344199"	274.6308495	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+H+NH4"	19.041099
"731153"	407.1859995	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+H+NH4"	19.041099
"1489349"	142.0756995	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H+NH4"	19.041099
"406934"	553.209818	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+Na"	22.989218
"769357"	818.320118	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+Na"	22.989218
"1618306"	288.099518	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Na"	22.989218
"329356"	277.108547	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+H+Na"	23.996494
"722385"	409.663697	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+H+Na"	23.996494
"1476449"	144.553397	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H+Na"	23.996494
"1066648"	96.70469	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2H+Na"	25.00377
"1271967"	298.143786	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+CH3OH+H"	33.033486
"392005"	569.183758	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+K"	38.963158
"753690"	834.294058	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+K"	38.963158
"1554813"	304.073458	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+K"	38.963158
"312237"	285.095517	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+H+K"	39.970434
"703929"	417.650667	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+H+K"	39.970434
"1459938"	152.540367	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H+K"	39.970434
"249638"	572.254426	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+ACN+H"	42.033826
"1223931"	307.144126	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+ACN+H"	42.033826
"1208787"	154.075701	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+ACN+2H"	43.041102
"202745"	575.19176	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+2Na-H"	44.97116
"643035"	840.30206	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+2Na-H"	44.97116
"1146790"	310.08146	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2Na-H"	44.97116
"188301"	288.099518	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+2Na"	45.978436
"628184"	420.654668	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+2Na"	45.978436
"1131240"	155.544368	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2Na"	45.978436
"1413796"	104.032004	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H+2Na"	46.985712
"1445024"	312.123046	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H+HCOOH"	47.012746
"234952"	293.13254	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+3H2O+2H"	56.04448
"1523917"	326.17509	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+IsoProp+H"	61.06479
"423807"	296.086488	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+Na+K"	61.952376
"784994"	428.641638	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+Na+K"	61.952376
"1680514"	163.531338	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Na+K"	61.952376
"265816"	594.236368	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+ACN+Na"	64.015768
"1240591"	329.126068	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+ACN+Na"	64.015768
"1721943"	329.149593	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+NH4+HCOOH"	64.039293
"1191325"	111.359318	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+3Na"	68.967654
"1664136"	334.104988	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Na+HCOOH"	68.994688
"170997"	607.13964	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+2K-H"	76.91904
"610190"	872.24994	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+2K-H"	76.91904
"1098224"	342.02934	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2K-H"	76.91904
"154071"	304.073458	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"2M+2K"	77.926316
"594721"	436.628608	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"3M+2K"	77.926316
"1078145"	171.518308	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2K"	77.926316
"1104061"	344.043892	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2K+H"	78.933592
"1338259"	344.131507	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+DMSO+H"	79.021207
"1012257"	348.170676	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2ACN+H"	83.060376
"1528196"	349.164308	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+IsoProp+Na+H"	84.054008
"992822"	174.588976	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+2ACN+2H"	84.067652
"1593522"	350.078928	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+K+HCOOH"	84.968628
"1421363"	380.110438	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+H+CF3COOH"	115.000138
"1151653"	195.102251	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+3ACN+2H"	125.094202
"1703393"	397.136985	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+NH4+CF3COOH"	132.026685
"1642325"	402.09238	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+Na+CF3COOH"	136.98208
"1576882"	418.06632	"C14597"	"23-Bis(p-methoxyphenyl)acrylonitrile;23-Di(4-methoxyphenyl)acrylonitrile"	"C17H15NO2"	"265.1103"	"M+K+CF3COOH"	152.95602
"805060"	348.2301	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M"	0
"982968"	329.21171	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-H2O-H"	-19.01839
"74491"	231.146124	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M-3H"	-3.021828
"518061"	347.222824	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M-3H"	-3.021828
"894041"	115.069424	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-3H"	-3.021828
"15176"	347.222824	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M-2H"	-2.014552
"454367"	521.337874	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M-2H"	-2.014552
"831807"	173.107774	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-2H"	-2.014552
"92897"	695.452924	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M-H"	-1.007276
"530998"	1043.683024	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M-H"	-1.007276
"907342"	347.222824	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-H"	-1.007276
"60258"	712.479471	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M-2H+NH4"	16.019271
"500544"	1060.709571	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M-2H+NH4"	16.019271
"874700"	364.249371	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-2H+NH4"	16.019271
"41506"	717.434866	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M-2H+Na"	20.974666
"482159"	1065.664966	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M-2H+Na"	20.974666
"856684"	369.204766	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-2H+Na"	20.974666
"1619776"	369.204766	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Na-2H"	20.974666
"95332"	365.211163	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M-H+Cl"	33.962126
"534688"	539.326213	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M-H+Cl"	33.962126
"928162"	191.096113	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-H+Cl"	33.962126
"268174"	731.429602	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+Cl"	34.969402
"660229"	1079.659702	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+Cl"	34.969402
"1273735"	383.199502	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Cl"	34.969402
"19574"	733.408806	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M-2H+K"	36.948606
"457068"	1081.638906	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M-2H+K"	36.948606
"843498"	385.178706	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-2H+K"	36.948606
"1561517"	385.178706	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+K-2H"	36.948606
"952681"	393.228294	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-H+HCOOH"	44.998194
"370895"	741.458401	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+HCOOH-H"	44.998201
"353685"	755.474051	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+Hac-H"	59.013851
"1495955"	407.243951	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Hac-H"	59.013851
"962775"	415.210251	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-H+NaCOOH"	66.980151
"114599"	383.199502	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+2Cl"	69.938804
"562914"	557.314552	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+2Cl"	69.938804
"1029525"	209.084452	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2Cl"	69.938804
"1250197"	427.148985	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Br"	78.918885
"1309728"	429.204972	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Cl+HCOOH"	80.974872
"1333426"	451.186929	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Cl+NaCOOH"	102.956829
"923387"	461.215686	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M-H+CF3COOH"	112.985586
"1299732"	497.192364	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Cl+CF3COOH"	148.962264
"1376071"	313.217424	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H-2H2O"	-35.012676
"1392110"	331.2274	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H-H2O"	-17.0027
"295445"	697.467476	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+H"	1.007276
"683491"	1045.697576	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+H"	1.007276
"1363123"	349.237376	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H"	1.007276
"140023"	349.237376	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+2H"	2.014552
"581041"	523.352426	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+2H"	2.014552
"1050936"	175.122326	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2H"	2.014552
"219450"	233.160676	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+3H"	3.021828
"656211"	349.237376	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+3H"	3.021828
"1176525"	117.083976	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+3H"	3.021828
"436518"	714.494023	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+NH4"	18.033823
"797513"	1062.724123	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+NH4"	18.033823
"1692749"	366.263923	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+NH4"	18.033823
"339936"	357.7506495	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+H+NH4"	19.041099
"734542"	531.8656995	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+H+NH4"	19.041099
"1488365"	183.6355995	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H+NH4"	19.041099
"405951"	719.449418	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+Na"	22.989218
"763663"	1067.679518	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+Na"	22.989218
"1617240"	371.219318	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Na"	22.989218
"329352"	360.228347	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+H+Na"	23.996494
"722379"	534.343397	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+H+Na"	23.996494
"1476765"	186.113297	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H+Na"	23.996494
"1064571"	124.41129	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2H+Na"	25.00377
"1269525"	381.263586	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+CH3OH+H"	33.033486
"390293"	735.423358	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+K"	38.963158
"752380"	1083.653458	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+K"	38.963158
"1553342"	387.193258	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+K"	38.963158
"311983"	368.215317	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+H+K"	39.970434
"704039"	542.330367	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+H+K"	39.970434
"1460739"	194.100267	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H+K"	39.970434
"250361"	738.494026	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+ACN+H"	42.033826
"1223678"	390.263926	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+ACN+H"	42.033826
"1209707"	195.635601	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+ACN+2H"	43.041102
"204259"	741.43136	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+2Na-H"	44.97116
"644215"	1089.66146	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+2Na-H"	44.97116
"1146663"	393.20126	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2Na-H"	44.97116
"188250"	371.219318	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+2Na"	45.978436
"628005"	545.334368	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+2Na"	45.978436
"1131026"	197.104268	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2Na"	45.978436
"1413902"	131.738604	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H+2Na"	46.985712
"1445404"	395.242846	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H+HCOOH"	47.012746
"235315"	376.25234	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+3H2O+2H"	56.04448
"1523823"	409.29489	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+IsoProp+H"	61.06479
"423912"	379.206288	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+Na+K"	61.952376
"785356"	553.321338	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+Na+K"	61.952376
"1681186"	205.091238	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Na+K"	61.952376
"266174"	760.475968	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+ACN+Na"	64.015768
"1241265"	412.245868	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+ACN+Na"	64.015768
"1725333"	412.269393	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+NH4+HCOOH"	64.039293
"1191799"	139.065918	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+3Na"	68.967654
"1662787"	417.224788	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Na+HCOOH"	68.994688
"171471"	773.37924	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+2K-H"	76.91904
"611640"	1121.60934	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+2K-H"	76.91904
"1097001"	425.14914	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2K-H"	76.91904
"154180"	387.193258	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"2M+2K"	77.926316
"595437"	561.308308	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"3M+2K"	77.926316
"1082980"	213.078208	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2K"	77.926316
"1106359"	427.163692	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2K+H"	78.933592
"1342745"	427.251307	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+DMSO+H"	79.021207
"1013461"	431.290476	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2ACN+H"	83.060376
"1535963"	432.284108	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+IsoProp+Na+H"	84.054008
"1001316"	216.148876	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+2ACN+2H"	84.067652
"1595816"	433.198728	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+K+HCOOH"	84.968628
"1419287"	463.230238	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+H+CF3COOH"	115.000138
"1149577"	236.662151	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+3ACN+2H"	125.094202
"1703503"	480.256785	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+NH4+CF3COOH"	132.026685
"1642435"	485.21218	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+Na+CF3COOH"	136.98208
"1576992"	501.18612	"C14598"	"3alpha17alpha-Dihydroxy-5beta-pregnane-1120-dione;17alpha-Hydroxy-11-ketopregnanolone"	"C21H32O4"	"348.2301"	"M+K+CF3COOH"	152.95602
"808450"	281.1204	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M"	0
"987088"	262.10201	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-H2O-H"	-19.01839
"74601"	186.406324	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M-3H"	-3.021828
"517807"	280.113124	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M-3H"	-3.021828
"894516"	92.699524	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-3H"	-3.021828
"11269"	280.113124	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M-2H"	-2.014552
"451194"	420.673324	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M-2H"	-2.014552
"832281"	139.552924	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-2H"	-2.014552
"92639"	561.233524	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M-H"	-1.007276
"530743"	842.353924	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M-H"	-1.007276
"909273"	280.113124	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-H"	-1.007276
"58908"	578.260071	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M-2H+NH4"	16.019271
"500654"	859.380471	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M-2H+NH4"	16.019271
"875905"	297.139671	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-2H+NH4"	16.019271
"42346"	583.215466	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M-2H+Na"	20.974666
"478989"	864.335866	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M-2H+Na"	20.974666
"857887"	302.095066	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-2H+Na"	20.974666
"1619765"	302.095066	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Na-2H"	20.974666
"94327"	298.101463	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M-H+Cl"	33.962126
"534549"	438.661663	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M-H+Cl"	33.962126
"927295"	157.541263	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-H+Cl"	33.962126
"268285"	597.210202	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+Cl"	34.969402
"660255"	878.330602	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+Cl"	34.969402
"1273602"	316.089802	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Cl"	34.969402
"19684"	599.189406	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M-2H+K"	36.948606
"457057"	880.309806	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M-2H+K"	36.948606
"843608"	318.069006	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-2H+K"	36.948606
"1561627"	318.069006	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+K-2H"	36.948606
"952791"	326.118594	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-H+HCOOH"	44.998194
"372098"	607.239001	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+HCOOH-H"	44.998201
"350514"	621.254651	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+Hac-H"	59.013851
"1499345"	340.134251	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Hac-H"	59.013851
"963616"	348.100551	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-H+NaCOOH"	66.980151
"113981"	316.089802	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+2Cl"	69.938804
"562296"	456.650002	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+2Cl"	69.938804
"1025988"	175.529602	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2Cl"	69.938804
"1248119"	360.039285	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Br"	78.918885
"1310567"	362.095272	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Cl+HCOOH"	80.974872
"1334509"	384.077229	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Cl+NaCOOH"	102.956829
"920217"	394.105986	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M-H+CF3COOH"	112.985586
"1300935"	430.082664	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Cl+CF3COOH"	148.962264
"1376181"	246.107724	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H-2H2O"	-35.012676
"1392583"	264.1177	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H-H2O"	-17.0027
"293369"	563.248076	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+H"	1.007276
"680321"	844.368476	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+H"	1.007276
"1364326"	282.127676	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H"	1.007276
"140988"	282.127676	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+2H"	2.014552
"580548"	422.687876	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+2H"	2.014552
"1052264"	141.567476	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2H"	2.014552
"219682"	188.420876	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+3H"	3.021828
"658877"	282.127676	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+3H"	3.021828
"1177364"	94.714076	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+3H"	3.021828
"437721"	580.274623	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+NH4"	18.033823
"797623"	861.395023	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+NH4"	18.033823
"1690672"	299.154223	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+NH4"	18.033823
"336766"	290.6409495	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+H+NH4"	19.041099
"732465"	431.2011495	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+H+NH4"	19.041099
"1488475"	150.0807495	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H+NH4"	19.041099
"402781"	585.230018	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+Na"	22.989218
"765959"	866.350418	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+Na"	22.989218
"1618244"	304.109618	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Na"	22.989218
"329769"	293.118647	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+H+Na"	23.996494
"722689"	433.678847	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+H+Na"	23.996494
"1477012"	152.558447	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H+Na"	23.996494
"1064681"	102.04139	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2H+Na"	25.00377
"1270001"	314.153886	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+CH3OH+H"	33.033486
"390403"	601.203958	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+K"	38.963158
"752490"	882.324358	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+K"	38.963158
"1555271"	320.083558	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+K"	38.963158
"311363"	301.105617	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+H+K"	39.970434
"705242"	441.665817	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+H+K"	39.970434
"1460525"	160.545417	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H+K"	39.970434
"251120"	604.274626	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+ACN+H"	42.033826
"1225123"	323.154226	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+ACN+H"	42.033826
"1209660"	162.080751	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+ACN+2H"	43.041102
"204263"	607.21196	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+2Na-H"	44.97116
"643994"	888.33236	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+2Na-H"	44.97116
"1146995"	326.09156	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2Na-H"	44.97116
"188533"	304.109618	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+2Na"	45.978436
"628237"	444.669818	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+2Na"	45.978436
"1131178"	163.549418	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2Na"	45.978436
"1414097"	109.368704	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H+2Na"	46.985712
"1445241"	328.133146	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H+HCOOH"	47.012746
"235381"	309.14264	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+3H2O+2H"	56.04448
"1523851"	342.18519	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+IsoProp+H"	61.06479
"423779"	312.096588	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+Na+K"	61.952376
"785298"	452.656788	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+Na+K"	61.952376
"1680858"	171.536388	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Na+K"	61.952376
"266898"	626.256568	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+ACN+Na"	64.015768
"1240327"	345.136168	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+ACN+Na"	64.015768
"1725443"	345.159693	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+NH4+HCOOH"	64.039293
"1193737"	116.696018	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+3Na"	68.967654
"1664961"	350.115088	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Na+HCOOH"	68.994688
"171097"	639.15984	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+2K-H"	76.91904
"612237"	920.28024	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+2K-H"	76.91904
"1099415"	358.03944	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2K-H"	76.91904
"154291"	320.083558	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"2M+2K"	77.926316
"595667"	460.643758	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"3M+2K"	77.926316
"1080904"	179.523358	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2K"	77.926316
"1109751"	360.053992	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2K+H"	78.933592
"1343949"	360.141607	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+DMSO+H"	79.021207
"1014663"	364.180776	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2ACN+H"	83.060376
"1531697"	365.174408	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+IsoProp+Na+H"	84.054008
"999238"	182.594026	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+2ACN+2H"	84.067652
"1594834"	366.089028	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+K+HCOOH"	84.968628
"1421585"	396.120538	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+H+CF3COOH"	115.000138
"1152967"	203.107301	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+3ACN+2H"	125.094202
"1703613"	413.147085	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+NH4+CF3COOH"	132.026685
"1644733"	418.10248	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+Na+CF3COOH"	136.98208
"1578196"	434.07642	"C14599"	"233-Triphenylacrylonitrile;Triphenylcyanoethylene"	"C21H15N"	"281.1204"	"M+K+CF3COOH"	152.95602
"811842"	304.2038	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M"	0
"987198"	285.18541	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"74711"	201.795257333333	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"508803"	303.196524	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"890981"	100.393990666667	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"8462"	303.196524	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"444744"	455.298424	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"831664"	151.094624	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"91658"	607.400324	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"531946"	911.604124	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"907924"	303.196524	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"60841"	624.426871	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"500036"	928.630671	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"874921"	320.223071	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"41363"	629.382266	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"478005"	933.586066	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"857997"	325.178466	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1618903"	325.178466	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"94570"	321.184863	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"534458"	473.286763	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"929474"	169.082963	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"267784"	643.377002	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"660691"	947.580802	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1273834"	339.173202	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"19794"	645.356206	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"457167"	949.560006	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"843718"	341.152406	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1558457"	341.152406	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"949621"	349.201994	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"368928"	653.405801	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"350624"	667.421451	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1499455"	363.217651	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"961539"	371.183951	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"114091"	339.173202	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"563134"	491.275102	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1025370"	187.071302	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1248229"	383.122685	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1309584"	385.178672	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1334375"	407.160629	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"921420"	417.189386	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1298129"	453.166064	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1376291"	269.191124	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1392693"	287.2011	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"284725"	609.414876	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"680431"	913.618676	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1362249"	305.211076	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"140734"	305.211076	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"581109"	457.312976	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1052376"	153.109176	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"219834"	203.809809333333	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"657524"	305.211076	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1174557"	102.408542666667	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"435644"	626.441423	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"795545"	930.645223	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1690782"	322.237623	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"337969"	313.7243495	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"731482"	465.8262495	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1486398"	161.6224495	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"401068"	631.396818	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"763883"	935.600618	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1617098"	327.193018	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"329564"	316.202047	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"721259"	468.303947	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1476817"	164.100147	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1063698"	109.735856666667	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1267560"	337.237286	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"389420"	647.370758	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"749321"	951.574558	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1550281"	343.166958	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"310744"	324.189017	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"702072"	476.290917	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1454799"	172.087117	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"250693"	650.441426	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1224991"	346.237626	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1209731"	173.622451	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"204199"	653.37876	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"644187"	957.58256	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1145656"	349.17496	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"188396"	327.193018	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"628145"	479.294918	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1129460"	175.091118	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1414113"	117.063170666667	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1444986"	351.216546	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"235043"	332.22604	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1523473"	365.26859	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"423030"	335.179988	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"784756"	487.281888	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1680237"	183.078088	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"266725"	672.423368	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1239221"	368.219568	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1723730"	368.243093	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1193480"	124.390484666667	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1665357"	373.198488	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"171326"	685.32664	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"612146"	989.53044	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1099162"	381.12284	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"154765"	343.166958	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"594684"	495.268858	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1079921"	191.065058	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1108767"	383.137392	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1344058"	383.225007	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1013680"	387.264176	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1534723"	388.257808	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"999348"	194.135726	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1594943"	389.172428	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1421695"	419.203938	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1151984"	214.649001	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1703723"	436.230485	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1644843"	441.18588	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1581586"	457.15982	"C14600"	"16alpha-Hydroxytestosterone;16alpha17beta-Dihydroxy-4-androsten-3-one"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"805390"	104.0473	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M"	0
"987308"	85.02891	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"74821"	68.3575906666667	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"508914"	103.040024	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"892182"	33.6751573333333	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"9665"	103.040024	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"448134"	155.063674	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"830804"	51.016374	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"92499"	207.087324	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"531692"	311.134624	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"909983"	103.040024	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"62172"	224.113871	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"500874"	328.161171	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"877218"	120.066571	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"42566"	229.069266	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"478115"	333.116566	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"859201"	125.021966	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1629463"	125.021966	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"97609"	121.028363	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"535223"	173.052013	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"928613"	69.004713	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"267656"	243.064002	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"662752"	347.111302	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1274065"	139.016702	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"17473"	245.043206	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"460557"	349.090506	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"839455"	140.995906	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1565129"	140.995906	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"951919"	149.045494	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"371227"	253.092801	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"357297"	267.108451	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1500660"	163.061151	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"964929"	171.027451	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"114200"	139.016702	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"562151"	191.040352	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1026937"	86.993052	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1251620"	182.966185	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1311879"	185.022172	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1331566"	207.004129	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"915332"	217.032886	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1296050"	253.009564	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1370567"	69.034624	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1383480"	87.0446	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"283741"	209.101876	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"679447"	313.149176	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1362359"	105.054576	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"140928"	105.054576	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"580771"	157.078226	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1051630"	53.030926	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"218071"	70.3721426666667	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"658363"	105.054576	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1178318"	35.6897093333333	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"437941"	226.128423	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"795656"	330.175723	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1695265"	122.081123	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"339173"	113.5678495	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"730497"	165.5914995	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1487602"	61.5441995	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"403001"	231.083818	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"765087"	335.131118	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1617086"	127.036518	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"327855"	116.045547	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"720278"	168.069197	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1475918"	64.021897	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1065995"	43.0170233333333	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1268763"	137.080786	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"391962"	247.057758	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"749430"	351.105058	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1552574"	143.010458	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"312556"	124.032517	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"706072"	176.056167	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1457096"	72.008867	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"250565"	250.128426	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1225186"	146.081126	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1209718"	73.544201	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"204258"	253.06576	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"643355"	357.11306	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1145646"	149.01846	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"186505"	127.036518	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"628094"	179.060168	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1129691"	75.012868	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1412123"	50.3443373333333	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1443754"	151.060046	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"235618"	132.06954	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1523903"	165.11209	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"422533"	135.023488	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"784504"	187.047138	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1680475"	82.999838	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"266833"	272.110368	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1239214"	168.063068	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1724935"	168.086593	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1193795"	57.6716513333333	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1665065"	173.041988	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"172285"	285.01364	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"611727"	389.06094	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1098544"	180.96634	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"155235"	143.010458	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"595165"	195.034108	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1081128"	90.986808	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1108878"	182.980892	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1346356"	183.068507	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1013790"	187.107676	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1531917"	188.101308	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"1000552"	94.057476	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1596147"	189.015928	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1426178"	219.047438	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1155374"	114.570751	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1701644"	236.073985	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1644953"	241.02938	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1578416"	257.00332	"C14601"	"Methyl methoxyacetate"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"812062"	125.0477	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M"	0
"987417"	106.02931	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-H2O-H"	-19.01839
"76391"	82.3578573333333	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M-3H"	-3.021828
"515585"	124.040424	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M-3H"	-3.021828
"893386"	40.6752906666667	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-3H"	-3.021828
"8680"	124.040424	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M-2H"	-2.014552
"443869"	186.564274	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M-2H"	-2.014552
"832016"	61.516574	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-2H"	-2.014552
"93097"	249.088124	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M-H"	-1.007276
"533505"	374.135824	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M-H"	-1.007276
"910336"	124.040424	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-H"	-1.007276
"61917"	266.114671	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M-2H+NH4"	16.019271
"500620"	391.162371	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M-2H+NH4"	16.019271
"876599"	141.066971	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-2H+NH4"	16.019271
"41946"	271.070066	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M-2H+Na"	20.974666
"478225"	396.117766	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M-2H+Na"	20.974666
"859311"	146.022366	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-2H+Na"	20.974666
"1627750"	146.022366	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Na-2H"	20.974666
"97719"	142.028763	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M-H+Cl"	33.962126
"535697"	204.552613	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M-H+Cl"	33.962126
"928479"	79.504913	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-H+Cl"	33.962126
"268618"	285.064802	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+Cl"	34.969402
"662254"	410.112502	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+Cl"	34.969402
"1273561"	160.017102	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Cl"	34.969402
"17098"	287.044006	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M-2H+K"	36.948606
"456288"	412.091706	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M-2H+K"	36.948606
"841751"	161.996306	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-2H+K"	36.948606
"1561958"	161.996306	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+K-2H"	36.948606
"953122"	170.045894	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-H+HCOOH"	44.998194
"371337"	295.093601	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+HCOOH-H"	44.998201
"356313"	309.109251	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+Hac-H"	59.013851
"1499676"	184.061551	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Hac-H"	59.013851
"963946"	192.027851	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-H+NaCOOH"	66.980151
"114674"	160.017102	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+2Cl"	69.938804
"562261"	222.540952	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+2Cl"	69.938804
"1026318"	97.493252	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2Cl"	69.938804
"1251730"	203.966585	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Br"	78.918885
"1312353"	206.022572	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Cl+HCOOH"	80.974872
"1331676"	228.004529	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Cl+NaCOOH"	102.956829
"915806"	238.033286	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M-H+CF3COOH"	112.985586
"1296160"	274.009964	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Cl+CF3COOH"	148.962264
"1370677"	90.035024	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H-2H2O"	-35.012676
"1382808"	108.045	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H-H2O"	-17.0027
"284947"	251.102676	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+H"	1.007276
"687212"	376.150376	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+H"	1.007276
"1358094"	126.054976	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H"	1.007276
"141327"	126.054976	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+2H"	2.014552
"581202"	188.578826	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+2H"	2.014552
"1048822"	63.531126	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2H"	2.014552
"219919"	84.3724093333333	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+3H"	3.021828
"658837"	126.054976	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+3H"	3.021828
"1177572"	42.6898426666667	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+3H"	3.021828
"435863"	268.129223	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+NH4"	18.033823
"799772"	393.176923	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+NH4"	18.033823
"1695373"	143.081523	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+NH4"	18.033823
"340376"	134.5682495	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+H+NH4"	19.041099
"731701"	197.0920995	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+H+NH4"	19.041099
"1485525"	72.0443995	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H+NH4"	19.041099
"404204"	273.084618	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+Na"	22.989218
"766290"	398.132318	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+Na"	22.989218
"1617926"	148.036918	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Na"	22.989218
"329423"	137.045947	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+H+Na"	23.996494
"722330"	199.569797	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+H+Na"	23.996494
"1476838"	74.522097	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H+Na"	23.996494
"1067198"	50.0171566666667	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2H+Na"	25.00377
"1269602"	158.081186	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+CH3OH+H"	33.033486
"392436"	289.058558	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+K"	38.963158
"752819"	414.106258	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+K"	38.963158
"1551589"	164.010858	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+K"	38.963158
"312059"	145.032917	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+H+K"	39.970434
"704116"	207.556767	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+H+K"	39.970434
"1457206"	82.509067	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H+K"	39.970434
"250917"	292.129226	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+ACN+H"	42.033826
"1224608"	167.081526	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+ACN+H"	42.033826
"1209101"	84.044401	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+ACN+2H"	43.041102
"203591"	295.06656	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+2Na-H"	44.97116
"642735"	420.11426	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+2Na-H"	44.97116
"1144661"	170.01886	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2Na-H"	44.97116
"186250"	148.036918	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+2Na"	45.978436
"626296"	210.560768	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+2Na"	45.978436
"1128706"	85.513068	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2Na"	45.978436
"1412354"	57.3444706666667	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H+2Na"	46.985712
"1441795"	172.060446	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H+HCOOH"	47.012746
"233921"	153.06994	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+3H2O+2H"	56.04448
"1522104"	186.11249	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+IsoProp+H"	61.06479
"418872"	156.023888	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+Na+K"	61.952376
"784009"	218.547738	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+Na+K"	61.952376
"1680917"	93.500038	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Na+K"	61.952376
"266009"	314.111168	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+ACN+Na"	64.015768
"1239690"	189.063468	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+ACN+Na"	64.015768
"1725776"	189.086993	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+NH4+HCOOH"	64.039293
"1193703"	64.6717846666667	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+3Na"	68.967654
"1664200"	194.042388	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Na+HCOOH"	68.994688
"171790"	327.01444	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+2K-H"	76.91904
"611838"	452.06214	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+2K-H"	76.91904
"1099381"	201.96674	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2K-H"	76.91904
"153885"	164.010858	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"2M+2K"	77.926316
"594905"	226.534708	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"3M+2K"	77.926316
"1081966"	101.487008	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2K"	77.926316
"1113362"	203.981292	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2K+H"	78.933592
"1347559"	204.068907	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+DMSO+H"	79.021207
"1014993"	208.108076	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2ACN+H"	83.060376
"1532026"	209.101708	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+IsoProp+Na+H"	84.054008
"998475"	104.557676	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+2ACN+2H"	84.067652
"1596255"	210.016328	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+K+HCOOH"	84.968628
"1427018"	240.047838	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+H+CF3COOH"	115.000138
"1156577"	125.070951	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+3ACN+2H"	125.094202
"1703942"	257.074385	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+NH4+CF3COOH"	132.026685
"1645063"	262.02978	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+Na+CF3COOH"	136.98208
"1578526"	278.00372	"C14602"	"3-Hydroxyaminophenol;3-Hydroxylaminophenol"	"C6H7NO2"	"125.0477"	"M+K+CF3COOH"	152.95602
"805610"	398.2821	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M"	0
"985705"	379.26371	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-H2O-H"	-19.01839
"71760"	264.514124	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M-3H"	-3.021828
"516788"	397.274824	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M-3H"	-3.021828
"891309"	131.753424	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-3H"	-3.021828
"7697"	397.274824	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M-2H"	-2.014552
"448349"	596.415874	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M-2H"	-2.014552
"830901"	198.133774	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-2H"	-2.014552
"92350"	795.556924	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M-H"	-1.007276
"533494"	1193.839024	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M-H"	-1.007276
"909472"	397.274824	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-H"	-1.007276
"61783"	812.583471	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M-2H+NH4"	16.019271
"498909"	1210.865571	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M-2H+NH4"	16.019271
"876343"	414.301371	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-2H+NH4"	16.019271
"42056"	817.538866	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M-2H+Na"	20.974666
"479428"	1215.820966	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M-2H+Na"	20.974666
"859421"	419.256766	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-2H+Na"	20.974666
"1627860"	419.256766	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Na-2H"	20.974666
"95642"	415.263163	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M-H+Cl"	33.962126
"536658"	614.404213	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M-H+Cl"	33.962126
"930900"	216.122113	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-H+Cl"	33.962126
"269333"	831.533602	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+Cl"	34.969402
"662607"	1229.815702	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+Cl"	34.969402
"1274646"	433.251502	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Cl"	34.969402
"17329"	833.512806	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M-2H+K"	36.948606
"457614"	1231.794906	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M-2H+K"	36.948606
"841861"	435.230706	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-2H+K"	36.948606
"1562068"	435.230706	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+K-2H"	36.948606
"947036"	443.280294	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-H+HCOOH"	44.998194
"369260"	841.562401	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+HCOOH-H"	44.998201
"357516"	855.578051	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+Hac-H"	59.013851
"1500879"	457.295951	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Hac-H"	59.013851
"964056"	465.262251	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-H+NaCOOH"	66.980151
"114420"	433.251502	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+2Cl"	69.938804
"562006"	632.392552	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+2Cl"	69.938804
"1027886"	234.110452	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2Cl"	69.938804
"1251840"	477.200985	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Br"	78.918885
"1311006"	479.256972	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Cl+HCOOH"	80.974872
"1332879"	501.238929	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Cl+NaCOOH"	102.956829
"916280"	511.267686	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M-H+CF3COOH"	112.985586
"1296270"	547.244364	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Cl+CF3COOH"	148.962264
"1371151"	363.269424	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H-2H2O"	-35.012676
"1384027"	381.2794	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H-H2O"	-17.0027
"285419"	797.571476	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+H"	1.007276
"679667"	1195.853576	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+H"	1.007276
"1358204"	399.289376	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H"	1.007276
"141021"	399.289376	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+2H"	2.014552
"575028"	598.430426	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+2H"	2.014552
"1049295"	200.148326	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2H"	2.014552
"213915"	266.528676	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+3H"	3.021828
"654570"	399.289376	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+3H"	3.021828
"1174884"	133.767976	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+3H"	3.021828
"435970"	814.598023	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+NH4"	18.033823
"790404"	1212.880123	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+NH4"	18.033823
"1690015"	416.315923	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+NH4"	18.033823
"340486"	407.8026495	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+H+NH4"	19.041099
"732903"	606.9436995	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+H+NH4"	19.041099
"1486723"	208.6615995	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H+NH4"	19.041099
"402121"	819.553418	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+Na"	22.989218
"764213"	1217.835518	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+Na"	22.989218
"1618394"	421.271318	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Na"	22.989218
"329874"	410.280347	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+H+Na"	23.996494
"722160"	609.421397	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+H+Na"	23.996494
"1476628"	211.139297	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H+Na"	23.996494
"1067960"	141.09529	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2H+Na"	25.00377
"1268983"	431.315586	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+CH3OH+H"	33.033486
"391208"	835.527358	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+K"	38.963158
"753173"	1233.809458	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+K"	38.963158
"1546232"	437.245258	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+K"	38.963158
"313263"	418.267317	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+H+K"	39.970434
"704955"	617.408367	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+H+K"	39.970434
"1459503"	219.126267	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H+K"	39.970434
"250176"	838.598026	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+ACN+H"	42.033826
"1225080"	440.315926	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+ACN+H"	42.033826
"1209454"	220.661601	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+ACN+2H"	43.041102
"204211"	841.53536	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+2Na-H"	44.97116
"643088"	1239.81746	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+2Na-H"	44.97116
"1145378"	443.25326	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2Na-H"	44.97116
"186841"	421.271318	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+2Na"	45.978436
"627132"	620.412368	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+2Na"	45.978436
"1129545"	222.130268	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2Na"	45.978436
"1413565"	148.422604	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H+2Na"	46.985712
"1444092"	445.294846	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H+HCOOH"	47.012746
"232328"	426.30434	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+3H2O+2H"	56.04448
"1520390"	459.34689	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+IsoProp+H"	61.06479
"421898"	429.258288	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+Na+K"	61.952376
"783992"	628.399338	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+Na+K"	61.952376
"1680571"	230.117238	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Na+K"	61.952376
"263562"	860.579968	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+ACN+Na"	64.015768
"1239918"	462.297868	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+ACN+Na"	64.015768
"1725156"	462.321393	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+NH4+HCOOH"	64.039293
"1193569"	155.749918	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+3Na"	68.967654
"1662600"	467.276788	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Na+HCOOH"	68.994688
"171293"	873.48324	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+2K-H"	76.91904
"611704"	1271.76534	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+2K-H"	76.91904
"1099248"	475.20114	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2K-H"	76.91904
"153995"	437.245258	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"2M+2K"	77.926316
"594287"	636.386308	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"3M+2K"	77.926316
"1080619"	238.104208	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2K"	77.926316
"1111276"	477.215692	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2K+H"	78.933592
"1346567"	477.303307	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+DMSO+H"	79.021207
"1015103"	481.342476	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2ACN+H"	83.060376
"1529950"	482.336108	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+IsoProp+Na+H"	84.054008
"997490"	241.174876	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+2ACN+2H"	84.067652
"1594179"	483.250728	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+K+HCOOH"	84.968628
"1424211"	513.282238	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+H+CF3COOH"	115.000138
"1154500"	261.688151	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+3ACN+2H"	125.094202
"1704052"	530.308785	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+NH4+CF3COOH"	132.026685
"1645173"	535.26418	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+Na+CF3COOH"	136.98208
"1578636"	551.23812	"C14603"	"17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate;19-Nortestosterone cyclopentylpropionate"	"C26H38O3"	"398.2821"	"M+K+CF3COOH"	152.95602
"805720"	125.0477	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M"	0
"986908"	106.02931	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-H2O-H"	-19.01839
"70777"	82.3578573333333	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M-3H"	-3.021828
"513618"	124.040424	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M-3H"	-3.021828
"892512"	40.6752906666667	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-3H"	-3.021828
"7807"	124.040424	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M-2H"	-2.014552
"449552"	186.564274	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M-2H"	-2.014552
"829185"	61.516574	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-2H"	-2.014552
"92824"	249.088124	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M-H"	-1.007276
"533360"	374.135824	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M-H"	-1.007276
"909459"	124.040424	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-H"	-1.007276
"62135"	266.114671	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M-2H+NH4"	16.019271
"499747"	391.162371	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M-2H+NH4"	16.019271
"876453"	141.066971	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-2H+NH4"	16.019271
"43259"	271.070066	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M-2H+Na"	20.974666
"479538"	396.117766	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M-2H+Na"	20.974666
"858438"	146.022366	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-2H+Na"	20.974666
"1629063"	146.022366	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Na-2H"	20.974666
"97938"	142.028763	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M-H+Cl"	33.962126
"536404"	204.552613	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M-H+Cl"	33.962126
"929917"	79.504913	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-H+Cl"	33.962126
"268107"	285.064802	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+Cl"	34.969402
"661988"	410.112502	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+Cl"	34.969402
"1274396"	160.017102	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Cl"	34.969402
"17314"	287.044006	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M-2H+K"	36.948606
"456265"	412.091706	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M-2H+K"	36.948606
"838691"	161.996306	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-2H+K"	36.948606
"1563271"	161.996306	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+K-2H"	36.948606
"947875"	170.045894	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-H+HCOOH"	44.998194
"364994"	295.093601	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+HCOOH-H"	44.998201
"351430"	309.109251	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+Hac-H"	59.013851
"1500989"	184.061551	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Hac-H"	59.013851
"965259"	192.027851	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-H+NaCOOH"	66.980151
"114530"	160.017102	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+2Cl"	69.938804
"561387"	222.540952	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+2Cl"	69.938804
"1026903"	97.493252	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2Cl"	69.938804
"1250857"	203.966585	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Br"	78.918885
"1312209"	206.022572	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Cl+HCOOH"	80.974872
"1331896"	228.004529	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Cl+NaCOOH"	102.956829
"918578"	238.033286	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M-H+CF3COOH"	112.985586
"1294193"	274.009964	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Cl+CF3COOH"	148.962264
"1371261"	90.035024	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H-2H2O"	-35.012676
"1384380"	108.045	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H-H2O"	-17.0027
"285164"	251.102676	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+H"	1.007276
"677590"	376.150376	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+H"	1.007276
"1357220"	126.054976	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H"	1.007276
"139589"	126.054976	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+2H"	2.014552
"572951"	188.578826	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+2H"	2.014552
"1046124"	63.531126	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2H"	2.014552
"207463"	84.3724093333333	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+3H"	3.021828
"648115"	126.054976	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+3H"	3.021828
"1168425"	42.6898426666667	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+3H"	3.021828
"428414"	268.129223	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+NH4"	18.033823
"789412"	393.176923	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+NH4"	18.033823
"1684656"	143.081523	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+NH4"	18.033823
"337308"	134.5682495	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+H+NH4"	19.041099
"730826"	197.0920995	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+H+NH4"	19.041099
"1489018"	72.0443995	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H+NH4"	19.041099
"403323"	273.084618	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+Na"	22.989218
"762133"	398.132318	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+Na"	22.989218
"1614611"	148.036918	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Na"	22.989218
"328300"	137.045947	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+H+Na"	23.996494
"722422"	199.569797	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+H+Na"	23.996494
"1475637"	74.522097	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H+Na"	23.996494
"1064137"	50.0171566666667	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2H+Na"	25.00377
"1269822"	158.081186	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+CH3OH+H"	33.033486
"388767"	289.058558	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+K"	38.963158
"750850"	414.106258	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+K"	38.963158
"1548527"	164.010858	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+K"	38.963158
"312280"	145.032917	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+H+K"	39.970434
"704699"	207.556767	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+H+K"	39.970434
"1454145"	82.509067	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H+K"	39.970434
"247851"	292.129226	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+ACN+H"	42.033826
"1225225"	167.081526	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+ACN+H"	42.033826
"1208457"	84.044401	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+ACN+2H"	43.041102
"202786"	295.06656	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+2Na-H"	44.97116
"641981"	420.11426	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+2Na-H"	44.97116
"1142930"	170.01886	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2Na-H"	44.97116
"184763"	148.036918	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+2Na"	45.978436
"621407"	210.560768	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+2Na"	45.978436
"1128193"	85.513068	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2Na"	45.978436
"1413912"	57.3444706666667	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H+2Na"	46.985712
"1443835"	172.060446	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H+HCOOH"	47.012746
"232438"	153.06994	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+3H2O+2H"	56.04448
"1520865"	186.11249	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+IsoProp+H"	61.06479
"422372"	156.023888	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+Na+K"	61.952376
"783006"	218.547738	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+Na+K"	61.952376
"1680436"	93.500038	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Na+K"	61.952376
"265130"	314.111168	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+ACN+Na"	64.015768
"1238935"	189.063468	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+ACN+Na"	64.015768
"1723442"	189.086993	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+NH4+HCOOH"	64.039293
"1193800"	64.6717846666667	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+3Na"	68.967654
"1662709"	194.042388	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Na+HCOOH"	68.994688
"171279"	327.01444	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+2K-H"	76.91904
"610841"	452.06214	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+2K-H"	76.91904
"1098749"	201.96674	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2K-H"	76.91904
"154470"	164.010858	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"2M+2K"	77.926316
"595000"	226.534708	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"3M+2K"	77.926316
"1081454"	101.487008	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2K"	77.926316
"1112843"	203.981292	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2K+H"	78.933592
"1346676"	204.068907	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+DMSO+H"	79.021207
"1013027"	208.108076	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2ACN+H"	83.060376
"1533340"	209.101708	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+IsoProp+Na+H"	84.054008
"995414"	104.557676	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+2ACN+2H"	84.067652
"1596476"	210.016328	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+K+HCOOH"	84.968628
"1424321"	240.047838	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+H+CF3COOH"	115.000138
"1153517"	125.070951	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+3ACN+2H"	125.094202
"1703069"	257.074385	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+NH4+CF3COOH"	132.026685
"1645283"	262.02978	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+Na+CF3COOH"	136.98208
"1578746"	278.00372	"C14604"	"Aminohydroquinone"	"C6H7NO2"	"125.0477"	"M+K+CF3COOH"	152.95602
"809110"	304.2402	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M"	0
"987018"	285.22181	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"69794"	201.819524	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"513728"	303.232924	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"892622"	100.406124	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"7917"	303.232924	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"450755"	455.353024	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"831121"	151.112824	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"94237"	607.473124	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"534122"	911.713324	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"910666"	303.232924	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"62572"	624.499671	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"499493"	928.739871	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"877292"	320.259471	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"44099"	629.455066	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"479648"	933.695266	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"856361"	325.214866	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1626987"	325.214866	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"95862"	321.221263	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"539794"	473.341363	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"931120"	169.101163	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"271135"	643.449802	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"661370"	947.690002	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1275234"	339.209602	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"17061"	645.429006	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"456254"	949.669206	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"839165"	341.188806	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1562288"	341.188806	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"950172"	349.238394	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"365105"	653.478601	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"351540"	667.494251	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1498913"	363.254051	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"964266"	371.220351	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"114276"	339.209602	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"560403"	491.329702	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1030293"	187.089502	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1249873"	383.159085	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1311225"	385.215072	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1333829"	407.197029	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"920875"	417.225786	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1294303"	453.202464	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1370643"	269.227524	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1387773"	287.2375	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"283818"	609.487676	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"679887"	913.727876	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1357330"	305.247476	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"138971"	305.247476	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"574154"	457.367576	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1045141"	153.127376	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"208666"	203.834076	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"649318"	305.247476	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1167442"	102.420676	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"428526"	626.514223	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"790616"	930.754423	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1685858"	322.274023	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"336325"	313.7607495	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"729840"	465.8808495	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1488034"	161.6406495	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"402340"	631.469618	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"762243"	935.709818	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1616908"	327.229418	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"329383"	316.238447	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"722453"	468.358547	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1476603"	164.118347	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1068015"	109.74799	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1270661"	337.273686	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"391793"	647.443558	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"750960"	951.683758	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1548637"	343.203358	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"313606"	324.225417	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"705905"	476.345517	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1459724"	172.105317	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"248691"	650.514226	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1225419"	346.274026	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1208811"	173.640651	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"202411"	653.45156	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"642335"	957.69176	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1145592"	349.21136	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"186695"	327.229418	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"626986"	479.349518	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1127210"	175.109318	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1414074"	117.075304	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1444676"	351.252946	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"234008"	332.26244	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1521339"	365.30499	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"422118"	335.216388	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"782752"	487.336488	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1679086"	183.096288	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"265969"	672.496168	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1240136"	368.255968	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1723552"	368.279493	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1194012"	124.402618	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1664275"	373.234888	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"171027"	685.39944	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"612285"	989.63964	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1098129"	381.15924	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"155309"	343.203358	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"592680"	495.323458	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1083508"	191.083258	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1112588"	383.173792	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1347879"	383.261407	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1013138"	387.300576	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1529073"	388.294208	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"996616"	194.153926	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1597679"	389.208828	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1425526"	419.240338	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1158002"	214.667201	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1704272"	436.266885	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1645393"	441.22228	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1578856"	457.19622	"C14605"	"Metholone;Dromostanolone;17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"805940"	306.2195	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M"	0
"986035"	287.20111	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-H2O-H"	-19.01839
"72091"	203.139057333333	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M-3H"	-3.021828
"512745"	305.212224	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M-3H"	-3.021828
"887264"	101.065890666667	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-3H"	-3.021828
"8027"	305.212224	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M-2H"	-2.014552
"448679"	458.321974	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M-2H"	-2.014552
"826124"	152.102474	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-2H"	-2.014552
"91222"	611.431724	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M-H"	-1.007276
"532851"	917.651224	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M-H"	-1.007276
"908223"	305.212224	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-H"	-1.007276
"60046"	628.458271	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M-2H+NH4"	16.019271
"498145"	934.677771	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M-2H+NH4"	16.019271
"874487"	322.238771	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-2H+NH4"	16.019271
"41292"	633.413666	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M-2H+Na"	20.974666
"479758"	939.633166	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M-2H+Na"	20.974666
"860846"	327.194166	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-2H+Na"	20.974666
"1627097"	327.194166	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Na-2H"	20.974666
"100346"	323.200563	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M-H+Cl"	33.962126
"542091"	476.310313	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M-H+Cl"	33.962126
"930137"	170.090813	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-H+Cl"	33.962126
"270152"	647.408402	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+Cl"	34.969402
"660382"	953.627902	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+Cl"	34.969402
"1274129"	341.188902	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Cl"	34.969402
"15904"	649.387606	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M-2H+K"	36.948606
"455771"	955.607106	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M-2H+K"	36.948606
"834535"	343.168106	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-2H+K"	36.948606
"1560210"	343.168106	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+K-2H"	36.948606
"944083"	351.217694	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-H+HCOOH"	44.998194
"364486"	657.437201	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+HCOOH-H"	44.998201
"346015"	671.452851	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+Hac-H"	59.013851
"1493917"	365.233351	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Hac-H"	59.013851
"959513"	373.199651	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-H+NaCOOH"	66.980151
"112925"	341.188902	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+2Cl"	69.938804
"559420"	494.298652	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+2Cl"	69.938804
"1029309"	188.079152	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2Cl"	69.938804
"1249983"	385.138385	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Br"	78.918885
"1311335"	387.194372	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Cl+HCOOH"	80.974872
"1332846"	409.176329	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Cl+NaCOOH"	102.956829
"918798"	419.205086	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M-H+CF3COOH"	112.985586
"1294413"	455.181764	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Cl+CF3COOH"	148.962264
"1370753"	271.206824	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H-2H2O"	-35.012676
"1384967"	289.2168	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H-H2O"	-17.0027
"286481"	613.446276	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+H"	1.007276
"677810"	919.665776	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+H"	1.007276
"1357440"	307.226776	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H"	1.007276
"135800"	307.226776	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+2H"	2.014552
"574264"	460.336526	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+2H"	2.014552
"1045251"	154.117026	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2H"	2.014552
"207683"	205.153609333333	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+3H"	3.021828
"647242"	307.226776	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+3H"	3.021828
"1164637"	103.080442666667	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+3H"	3.021828
"427542"	630.472823	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+NH4"	18.033823
"787810"	936.692323	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+NH4"	18.033823
"1684873"	324.253323	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+NH4"	18.033823
"337527"	315.7400495	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+H+NH4"	19.041099
"729950"	468.8497995	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+H+NH4"	19.041099
"1488144"	162.6302995	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H+NH4"	19.041099
"401357"	635.428218	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+Na"	22.989218
"759070"	941.647718	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+Na"	22.989218
"1617140"	329.208718	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Na"	22.989218
"327423"	318.217747	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+H+Na"	23.996494
"722034"	471.327497	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+H+Na"	23.996494
"1475610"	165.107997	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H+Na"	23.996494
"1066667"	110.407756666667	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2H+Na"	25.00377
"1271135"	339.252986	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+CH3OH+H"	33.033486
"391174"	651.402158	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+K"	38.963158
"749977"	957.621658	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+K"	38.963158
"1547653"	345.182658	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+K"	38.963158
"313229"	326.204717	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+H+K"	39.970434
"705652"	479.314467	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+H+K"	39.970434
"1459106"	173.094967	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H+K"	39.970434
"247342"	654.472826	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+ACN+H"	42.033826
"1224795"	348.253326	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+ACN+H"	42.033826
"1207948"	174.630301	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+ACN+2H"	43.041102
"202520"	657.41016	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+2Na-H"	44.97116
"641837"	963.62966	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+2Na-H"	44.97116
"1144973"	351.19066	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2Na-H"	44.97116
"184982"	329.208718	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+2Na"	45.978436
"623814"	482.318468	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+2Na"	45.978436
"1126226"	176.098968	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2Na"	45.978436
"1413399"	117.735070666667	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H+2Na"	46.985712
"1442962"	353.232246	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H+HCOOH"	47.012746
"234484"	334.24174	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+3H2O+2H"	56.04448
"1521812"	367.28429	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+IsoProp+H"	61.06479
"419312"	337.195688	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+Na+K"	61.952376
"784321"	490.305438	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+Na+K"	61.952376
"1678102"	184.085938	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Na+K"	61.952376
"264255"	676.454768	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+ACN+Na"	64.015768
"1238788"	370.235268	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+ACN+Na"	64.015768
"1722569"	370.258793	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+NH4+HCOOH"	64.039293
"1193038"	125.062384666667	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+3Na"	68.967654
"1663293"	375.214188	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Na+HCOOH"	68.994688
"171256"	689.35804	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+2K-H"	76.91904
"612270"	995.57754	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+2K-H"	76.91904
"1096416"	383.13854	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2K-H"	76.91904
"153961"	345.182658	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"2M+2K"	77.926316
"592789"	498.292408	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"3M+2K"	77.926316
"1081311"	192.072908	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2K"	77.926316
"1112333"	385.153092	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2K+H"	78.933592
"1345804"	385.240707	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+DMSO+H"	79.021207
"1014338"	389.279876	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2ACN+H"	83.060376
"1530277"	390.273508	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+IsoProp+Na+H"	84.054008
"994539"	195.143576	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+2ACN+2H"	84.067652
"1593416"	391.188128	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+K+HCOOH"	84.968628
"1425636"	421.219638	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+H+CF3COOH"	115.000138
"1157019"	215.656851	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+3ACN+2H"	125.094202
"1708758"	438.246185	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+NH4+CF3COOH"	132.026685
"1647327"	443.20158	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+Na+CF3COOH"	136.98208
"1585527"	459.17552	"C14606"	"3alpha11beta-Dihydroxy-5alpha-androstane-17-one;11beta-Hydroxyandrosterone"	"C19H30O3"	"306.2195"	"M+K+CF3COOH"	152.95602
"806050"	442.3447	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M"	0
"985051"	423.32631	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-H2O-H"	-19.01839
"65639"	293.889190666667	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M-3H"	-3.021828
"513948"	441.337424	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M-3H"	-3.021828
"886279"	146.440957333333	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-3H"	-3.021828
"8137"	441.337424	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M-2H"	-2.014552
"450975"	662.509774	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M-2H"	-2.014552
"826598"	220.165074	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-2H"	-2.014552
"89873"	883.682124	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M-H"	-1.007276
"532354"	1326.026824	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M-H"	-1.007276
"909185"	441.337424	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-H"	-1.007276
"60885"	900.708671	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M-2H+NH4"	16.019271
"498256"	1343.053371	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M-2H+NH4"	16.019271
"875325"	458.363971	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-2H+NH4"	16.019271
"41402"	905.664066	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M-2H+Na"	20.974666
"476588"	1348.008766	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M-2H+Na"	20.974666
"860956"	463.319366	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-2H+Na"	20.974666
"1629030"	463.319366	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Na-2H"	20.974666
"101549"	459.325763	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M-H+Cl"	33.962126
"543294"	680.498113	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M-H+Cl"	33.962126
"931340"	238.153413	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-H+Cl"	33.962126
"270262"	919.658802	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+Cl"	34.969402
"660372"	1362.003502	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+Cl"	34.969402
"1275090"	477.314102	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Cl"	34.969402
"15979"	921.638006	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M-2H+K"	36.948606
"455984"	1363.982706	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M-2H+K"	36.948606
"836831"	479.293306	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-2H+K"	36.948606
"1561413"	479.293306	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+K-2H"	36.948606
"945286"	487.342894	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-H+HCOOH"	44.998194
"365325"	929.687601	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+HCOOH-H"	44.998201
"346412"	943.703251	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+Hac-H"	59.013851
"1494148"	501.358551	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Hac-H"	59.013851
"958894"	509.324851	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-H+NaCOOH"	66.980151
"111572"	477.314102	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+2Cl"	69.938804
"559530"	698.486452	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+2Cl"	69.938804
"1029419"	256.141752	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2Cl"	69.938804
"1252279"	521.263585	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Br"	78.918885
"1311445"	523.319572	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Cl+HCOOH"	80.974872
"1332592"	545.301529	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Cl+NaCOOH"	102.956829
"920001"	555.330286	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M-H+CF3COOH"	112.985586
"1296710"	591.306964	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Cl+CF3COOH"	148.962264
"1371227"	407.332024	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H-2H2O"	-35.012676
"1387265"	425.342	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H-H2O"	-17.0027
"289871"	885.696676	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+H"	1.007276
"678037"	1328.041376	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+H"	1.007276
"1357550"	443.351976	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H"	1.007276
"135910"	443.351976	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+2H"	2.014552
"575467"	664.524326	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+2H"	2.014552
"1044268"	222.179626	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2H"	2.014552
"212165"	295.903742666667	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+3H"	3.021828
"649538"	443.351976	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+3H"	3.021828
"1167663"	148.455509333333	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+3H"	3.021828
"427652"	902.723223	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+NH4"	18.033823
"786702"	1345.067923	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+NH4"	18.033823
"1681818"	460.378523	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+NH4"	18.033823
"333262"	451.8652495	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+H+NH4"	19.041099
"730060"	673.0375995	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+H+NH4"	19.041099
"1483880"	230.6928995	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H+NH4"	19.041099
"401467"	907.678618	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+Na"	22.989218
"760273"	1350.023318	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+Na"	22.989218
"1614939"	465.333918	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Na"	22.989218
"328142"	454.342947	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+H+Na"	23.996494
"721536"	675.515297	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+H+Na"	23.996494
"1475721"	233.170597	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H+Na"	23.996494
"1067384"	155.782823333333	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2H+Na"	25.00377
"1269423"	475.378186	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+CH3OH+H"	33.033486
"390186"	923.652558	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+K"	38.963158
"750087"	1365.997258	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+K"	38.963158
"1548856"	481.307858	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+K"	38.963158
"313337"	462.329917	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+H+K"	39.970434
"706247"	683.502267	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+H+K"	39.970434
"1459216"	241.157567	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H+K"	39.970434
"247087"	926.723226	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+ACN+H"	42.033826
"1224663"	484.378526	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+ACN+H"	42.033826
"1208788"	242.692901	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+ACN+2H"	43.041102
"203116"	929.66056	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+2Na-H"	44.97116
"642797"	1372.00526	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+2Na-H"	44.97116
"1144719"	487.31586	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2Na-H"	44.97116
"186184"	465.333918	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+2Na"	45.978436
"625746"	686.506268	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+2Na"	45.978436
"1127794"	244.161568	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2Na"	45.978436
"1412295"	163.110137333333	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H+2Na"	46.985712
"1443072"	489.357446	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H+HCOOH"	47.012746
"234591"	470.36694	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+3H2O+2H"	56.04448
"1521922"	503.40949	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+IsoProp+H"	61.06479
"419422"	473.320888	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+Na+K"	61.952376
"784431"	694.493238	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+Na+K"	61.952376
"1679669"	252.148538	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Na+K"	61.952376
"263271"	948.705168	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+ACN+Na"	64.015768
"1238898"	506.360468	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+ACN+Na"	64.015768
"1720491"	506.383993	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+NH4+HCOOH"	64.039293
"1191691"	170.437451333333	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+3Na"	68.967654
"1661580"	511.339388	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Na+HCOOH"	68.994688
"172093"	961.60844	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+2K-H"	76.91904
"610558"	1403.95314	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+2K-H"	76.91904
"1095431"	519.26374	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2K-H"	76.91904
"151884"	481.307858	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"2M+2K"	77.926316
"590349"	702.480208	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"3M+2K"	77.926316
"1078869"	260.135508	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2K"	77.926316
"1108435"	521.278292	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2K+H"	78.933592
"1344819"	521.365907	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+DMSO+H"	79.021207
"1010077"	525.405076	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2ACN+H"	83.060376
"1527107"	526.398708	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+IsoProp+Na+H"	84.054008
"999023"	263.206176	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+2ACN+2H"	84.067652
"1594620"	527.313328	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+K+HCOOH"	84.968628
"1424653"	557.344838	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+H+CF3COOH"	115.000138
"1157129"	283.719451	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+3ACN+2H"	125.094202
"1707775"	574.371385	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+NH4+CF3COOH"	132.026685
"1648530"	579.32678	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+Na+CF3COOH"	136.98208
"1585637"	595.30072	"C14607"	"Testosterone decanoate;17beta-Hydroxyandrost-4-en-3-one decanoate"	"C29H46O3"	"442.3447"	"M+K+CF3COOH"	152.95602
"806160"	334.2508	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M"	0
"986254"	315.23241	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H2O-H"	-19.01839
"69029"	221.826590666667	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-3H"	-3.021828
"509683"	333.243524	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-3H"	-3.021828
"883110"	110.409657333333	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-3H"	-3.021828
"4965"	333.243524	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H"	-2.014552
"448898"	500.368924	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H"	-2.014552
"827801"	166.118124	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H"	-2.014552
"92899"	667.494324	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-H"	-1.007276
"530636"	1001.745124	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-H"	-1.007276
"910143"	333.243524	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H"	-1.007276
"61600"	684.520871	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H+NH4"	16.019271
"499093"	1018.771671	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H+NH4"	16.019271
"875800"	350.270071	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H+NH4"	16.019271
"41512"	689.476266	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H+Na"	20.974666
"476698"	1023.727066	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H+Na"	20.974666
"859971"	355.225466	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H+Na"	20.974666
"1628411"	355.225466	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na-2H"	20.974666
"98378"	351.231863	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-H+Cl"	33.962126
"537937"	518.357263	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-H+Cl"	33.962126
"931451"	184.106463	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+Cl"	33.962126
"269278"	703.471002	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Cl"	34.969402
"660357"	1037.721802	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+Cl"	34.969402
"1275200"	369.220202	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl"	34.969402
"16089"	705.450206	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H+K"	36.948606
"456010"	1039.701006	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H+K"	36.948606
"836941"	371.199406	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H+K"	36.948606
"1561523"	371.199406	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K-2H"	36.948606
"944667"	379.248994	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+HCOOH"	44.998194
"365799"	713.499801	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+HCOOH-H"	44.998201
"347495"	727.515451	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Hac-H"	59.013851
"1493531"	393.264651	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Hac-H"	59.013851
"959127"	401.230951	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+NaCOOH"	66.980151
"110830"	369.220202	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2Cl"	69.938804
"557452"	536.345602	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2Cl"	69.938804
"1027342"	202.094802	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2Cl"	69.938804
"1250201"	413.169685	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Br"	78.918885
"1310461"	415.225672	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl+HCOOH"	80.974872
"1333430"	437.207629	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl+NaCOOH"	102.956829
"921205"	447.236386	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+CF3COOH"	112.985586
"1294634"	483.213064	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl+CF3COOH"	148.962264
"1371702"	299.238124	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H-2H2O"	-35.012676
"1387011"	317.2481	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H-H2O"	-17.0027
"289981"	669.508876	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H"	1.007276
"679121"	1003.759676	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H"	1.007276
"1360941"	335.258076	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H"	1.007276
"137113"	335.258076	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2H"	2.014552
"574486"	502.383476	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2H"	2.014552
"1044377"	168.132676	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2H"	2.014552
"214464"	223.841142666667	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+3H"	3.021828
"650742"	335.258076	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+3H"	3.021828
"1163762"	112.424209333333	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+3H"	3.021828
"428857"	686.535423	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+NH4"	18.033823
"785961"	1020.786223	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+NH4"	18.033823
"1681521"	352.284623	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+NH4"	18.033823
"331912"	343.7713495	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H+NH4"	19.041099
"729077"	510.8967495	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H+NH4"	19.041099
"1486179"	176.6459495	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+NH4"	19.041099
"400848"	691.490818	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Na"	22.989218
"757466"	1025.741618	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+Na"	22.989218
"1615047"	357.240018	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na"	22.989218
"328737"	346.249047	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H+Na"	23.996494
"720792"	513.374447	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H+Na"	23.996494
"1474614"	179.123647	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+Na"	23.996494
"1066764"	119.751523333333	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2H+Na"	25.00377
"1266252"	367.284286	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+CH3OH+H"	33.033486
"390297"	707.464758	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+K"	38.963158
"746914"	1041.715558	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+K"	38.963158
"1545686"	373.213958	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K"	38.963158
"312718"	354.236017	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H+K"	39.970434
"705507"	521.361417	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H+K"	39.970434
"1460420"	187.110617	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+K"	39.970434
"249385"	710.535426	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+ACN+H"	42.033826
"1223314"	376.284626	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+ACN+H"	42.033826
"1209141"	188.645951	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+ACN+2H"	43.041102
"202617"	713.47276	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2Na-H"	44.97116
"643273"	1047.72356	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2Na-H"	44.97116
"1146169"	379.22196	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2Na-H"	44.97116
"187753"	357.240018	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2Na"	45.978436
"626950"	524.365418	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2Na"	45.978436
"1127174"	190.114618	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2Na"	45.978436
"1403411"	127.078837333333	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+2Na"	46.985712
"1438807"	381.263546	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+HCOOH"	47.012746
"229597"	362.27304	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+3H2O+2H"	56.04448
"1518752"	395.31559	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+IsoProp+H"	61.06479
"417343"	365.226988	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Na+K"	61.952376
"783810"	532.352388	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+Na+K"	61.952376
"1677954"	198.101588	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na+K"	61.952376
"265690"	732.517368	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+ACN+Na"	64.015768
"1239739"	398.266568	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+ACN+Na"	64.015768
"1726070"	398.290093	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+NH4+HCOOH"	64.039293
"1192165"	134.406151333333	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+3Na"	68.967654
"1661694"	403.245488	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na+HCOOH"	68.994688
"170013"	745.42064	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2K-H"	76.91904
"610297"	1079.67144	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2K-H"	76.91904
"1094440"	411.16984	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2K-H"	76.91904
"152352"	373.213958	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2K"	77.926316
"591188"	540.339358	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2K"	77.926316
"1078252"	206.088558	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2K"	77.926316
"1109638"	413.184392	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2K+H"	78.933592
"1347115"	413.272007	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+DMSO+H"	79.021207
"1008120"	417.311176	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2ACN+H"	83.060376
"1526245"	418.304808	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+IsoProp+Na+H"	84.054008
"995855"	209.159226	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2ACN+2H"	84.067652
"1591450"	419.219428	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K+HCOOH"	84.968628
"1422576"	449.250938	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+CF3COOH"	115.000138
"1156146"	229.672501	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+3ACN+2H"	125.094202
"1703510"	466.277485	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+NH4+CF3COOH"	132.026685
"1645723"	471.23288	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na+CF3COOH"	136.98208
"1585747"	487.20682	"C14608"	"3alpha6alpha-Dihydroxy-5beta-pregnan-20-one;6alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K+CF3COOH"	152.95602
"806270"	334.2508	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M"	0
"986364"	315.23241	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H2O-H"	-19.01839
"69139"	221.826590666667	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-3H"	-3.021828
"509793"	333.243524	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-3H"	-3.021828
"884313"	110.409657333333	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-3H"	-3.021828
"3981"	333.243524	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H"	-2.014552
"445727"	500.368924	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H"	-2.014552
"830097"	166.118124	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H"	-2.014552
"93253"	667.494324	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-H"	-1.007276
"531111"	1001.745124	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-H"	-1.007276
"910131"	333.243524	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H"	-1.007276
"61833"	684.520871	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H+NH4"	16.019271
"501754"	1018.771671	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H+NH4"	16.019271
"877003"	350.270071	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H+NH4"	16.019271
"41622"	689.476266	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H+Na"	20.974666
"476808"	1023.727066	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H+Na"	20.974666
"861174"	355.225466	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H+Na"	20.974666
"1625240"	355.225466	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na-2H"	20.974666
"98486"	351.231863	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-H+Cl"	33.962126
"538047"	518.357263	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-H+Cl"	33.962126
"928645"	184.106463	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+Cl"	33.962126
"267806"	703.471002	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Cl"	34.969402
"660426"	1037.721802	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+Cl"	34.969402
"1276403"	369.220202	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl"	34.969402
"16770"	705.450206	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M-2H+K"	36.948606
"455997"	1039.701006	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M-2H+K"	36.948606
"837051"	371.199406	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-2H+K"	36.948606
"1559082"	371.199406	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K-2H"	36.948606
"945506"	379.248994	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+HCOOH"	44.998194
"364817"	713.499801	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+HCOOH-H"	44.998201
"348334"	727.515451	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Hac-H"	59.013851
"1493155"	393.264651	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Hac-H"	59.013851
"959476"	401.230951	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+NaCOOH"	66.980151
"110819"	369.220202	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2Cl"	69.938804
"561205"	536.345602	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2Cl"	69.938804
"1030368"	202.094802	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2Cl"	69.938804
"1251404"	413.169685	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Br"	78.918885
"1311664"	415.225672	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl+HCOOH"	80.974872
"1328072"	437.207629	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl+NaCOOH"	102.956829
"918033"	447.236386	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M-H+CF3COOH"	112.985586
"1295837"	483.213064	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Cl+CF3COOH"	148.962264
"1372906"	299.238124	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H-2H2O"	-35.012676
"1387121"	317.2481	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H-H2O"	-17.0027
"291184"	669.508876	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H"	1.007276
"680325"	1003.759676	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H"	1.007276
"1362145"	335.258076	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H"	1.007276
"136127"	335.258076	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2H"	2.014552
"576416"	502.383476	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2H"	2.014552
"1045580"	168.132676	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2H"	2.014552
"210198"	223.841142666667	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+3H"	3.021828
"647572"	335.258076	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+3H"	3.021828
"1164603"	112.424209333333	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+3H"	3.021828
"427872"	686.535423	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+NH4"	18.033823
"785749"	1020.786223	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+NH4"	18.033823
"1681551"	352.284623	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+NH4"	18.033823
"332022"	343.7713495	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H+NH4"	19.041099
"723716"	510.8967495	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H+NH4"	19.041099
"1486288"	176.6459495	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+NH4"	19.041099
"399500"	691.490818	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Na"	22.989218
"756483"	1025.741618	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+Na"	22.989218
"1615157"	357.240018	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na"	22.989218
"327388"	346.249047	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H+Na"	23.996494
"721631"	513.374447	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H+Na"	23.996494
"1476953"	179.123647	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+Na"	23.996494
"1067967"	119.751523333333	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2H+Na"	25.00377
"1267453"	367.284286	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+CH3OH+H"	33.033486
"388218"	707.464758	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+K"	38.963158
"747024"	1041.715558	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+K"	38.963158
"1545795"	373.213958	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K"	38.963158
"314006"	354.236017	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+H+K"	39.970434
"706917"	521.361417	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+H+K"	39.970434
"1460771"	187.110617	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+K"	39.970434
"250833"	710.535426	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+ACN+H"	42.033826
"1224638"	376.284626	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+ACN+H"	42.033826
"1209494"	188.645951	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+ACN+2H"	43.041102
"203213"	713.47276	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2Na-H"	44.97116
"643951"	1047.72356	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2Na-H"	44.97116
"1146686"	379.22196	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2Na-H"	44.97116
"187990"	357.240018	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2Na"	45.978436
"627061"	524.365418	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2Na"	45.978436
"1125461"	190.114618	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2Na"	45.978436
"1404614"	127.078837333333	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+2Na"	46.985712
"1438917"	381.263546	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+HCOOH"	47.012746
"232987"	362.27304	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+3H2O+2H"	56.04448
"1518862"	395.31559	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+IsoProp+H"	61.06479
"414174"	365.226988	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+Na+K"	61.952376
"784285"	532.352388	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+Na+K"	61.952376
"1674782"	198.101588	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na+K"	61.952376
"263489"	732.517368	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+ACN+Na"	64.015768
"1240460"	398.266568	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+ACN+Na"	64.015768
"1727639"	398.290093	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+NH4+HCOOH"	64.039293
"1191543"	134.406151333333	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+3Na"	68.967654
"1662894"	403.245488	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na+HCOOH"	68.994688
"170846"	745.42064	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2K-H"	76.91904
"610039"	1079.67144	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2K-H"	76.91904
"1095642"	411.16984	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2K-H"	76.91904
"150275"	373.213958	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"2M+2K"	77.926316
"593484"	540.339358	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"3M+2K"	77.926316
"1080185"	206.088558	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2K"	77.926316
"1107562"	413.184392	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2K+H"	78.933592
"1347224"	413.272007	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+DMSO+H"	79.021207
"1014666"	417.311176	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2ACN+H"	83.060376
"1526356"	418.304808	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+IsoProp+Na+H"	84.054008
"993776"	209.159226	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+2ACN+2H"	84.067652
"1590467"	419.219428	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K+HCOOH"	84.968628
"1422686"	449.250938	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+H+CF3COOH"	115.000138
"1154069"	229.672501	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+3ACN+2H"	125.094202
"1703620"	466.277485	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+NH4+CF3COOH"	132.026685
"1645833"	471.23288	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+Na+CF3COOH"	136.98208
"1585857"	487.20682	"C14609"	"3alpha17alpha-Dihydroxy-5beta-pregnan-20-one;17alpha-Hydroxypregnanolone"	"C21H34O3"	"334.2508"	"M+K+CF3COOH"	152.95602
"809661"	142.0266	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"M"	0
"986474"	123.00821	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"72530"	93.677124	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"513184"	141.019324	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"882237"	46.334924	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"2999"	141.019324	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"441464"	212.032624	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"826926"	70.006024	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"93728"	283.045924	"C14610"	"(S)-5-Oxo-25-dihydrofuran-2-acetate;()-Muconolactone"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
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"883440"	77.664724	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-3H"	-3.021828
"4202"	235.008724	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M-2H"	-2.014552
"442667"	353.016724	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M-2H"	-2.014552
"827036"	117.000724	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-2H"	-2.014552
"93720"	471.024724	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M-H"	-1.007276
"533399"	707.040724	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M-H"	-1.007276
"909986"	235.008724	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-H"	-1.007276
"62419"	488.051271	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M-2H+NH4"	16.019271
"500396"	724.067271	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M-2H+NH4"	16.019271
"876859"	252.035271	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-2H+NH4"	16.019271
"41842"	493.006666	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M-2H+Na"	20.974666
"478121"	729.022666	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M-2H+Na"	20.974666
"849484"	256.990666	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-2H+Na"	20.974666
"1621082"	256.990666	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Na-2H"	20.974666
"94360"	252.997063	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M-H+Cl"	33.962126
"534572"	371.005063	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M-H+Cl"	33.962126
"928494"	134.989063	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-H+Cl"	33.962126
"267898"	507.001402	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+Cl"	34.969402
"661050"	743.017402	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+Cl"	34.969402
"1278446"	270.985402	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Cl"	34.969402
"16502"	508.980606	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M-2H+K"	36.948606
"456173"	744.996606	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M-2H+K"	36.948606
"837636"	272.964606	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-2H+K"	36.948606
"1559301"	272.964606	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+K-2H"	36.948606
"944024"	281.014194	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-H+HCOOH"	44.998194
"364673"	517.030201	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+HCOOH-H"	44.998201
"346487"	531.045851	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+Hac-H"	59.013851
"1493736"	295.029851	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Hac-H"	59.013851
"960544"	302.996151	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-H+NaCOOH"	66.980151
"110229"	270.985402	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+2Cl"	69.938804
"560696"	388.993402	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+2Cl"	69.938804
"1030952"	152.977402	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2Cl"	69.938804
"1249438"	314.934885	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Br"	78.918885
"1309698"	316.990872	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Cl+HCOOH"	80.974872
"1327198"	338.972829	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Cl+NaCOOH"	102.956829
"916066"	349.001586	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M-H+CF3COOH"	112.985586
"1294963"	384.978264	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Cl+CF3COOH"	148.962264
"1374219"	201.003324	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H-2H2O"	-35.012676
"1385154"	219.0133	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H-H2O"	-17.0027
"288124"	473.039276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+H"	1.007276
"679451"	709.055276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+H"	1.007276
"1364551"	237.023276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H"	1.007276
"140117"	237.023276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+2H"	2.014552
"577000"	355.031276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+2H"	2.014552
"1049080"	119.015276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2H"	2.014552
"212604"	158.351276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+3H"	3.021828
"648884"	237.023276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+3H"	3.021828
"1165916"	79.679276	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+3H"	3.021828
"425417"	490.065823	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+NH4"	18.033823
"786286"	726.081823	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+NH4"	18.033823
"1682255"	254.049823	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+NH4"	18.033823
"333700"	245.5365495	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+H+NH4"	19.041099
"725147"	363.5445495	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+H+NH4"	19.041099
"1477751"	127.5285495	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H+NH4"	19.041099
"397897"	495.021218	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+Na"	22.989218
"757431"	731.037218	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+Na"	22.989218
"1613190"	259.005218	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Na"	22.989218
"319945"	248.014247	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+H+Na"	23.996494
"720995"	366.022247	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+H+Na"	23.996494
"1471657"	130.006247	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H+Na"	23.996494
"1061620"	87.00659	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2H+Na"	25.00377
"1263296"	269.049486	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+CH3OH+H"	33.033486
"382967"	510.995158	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+K"	38.963158
"743962"	747.011158	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+K"	38.963158
"1543827"	274.979158	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+K"	38.963158
"313654"	256.001217	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+H+K"	39.970434
"706322"	374.009217	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+H+K"	39.970434
"1459899"	137.993217	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H+K"	39.970434
"250689"	514.065826	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+ACN+H"	42.033826
"1225481"	278.049826	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+ACN+H"	42.033826
"1208009"	139.528551	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+ACN+2H"	43.041102
"202215"	517.00316	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+2Na-H"	44.97116
"643972"	753.01916	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+2Na-H"	44.97116
"1146499"	280.98716	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2Na-H"	44.97116
"188093"	259.005218	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+2Na"	45.978436
"626918"	377.013218	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+2Na"	45.978436
"1127868"	140.997218	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2Na"	45.978436
"1405927"	94.333904	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H+2Na"	46.985712
"1440230"	283.028746	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H+HCOOH"	47.012746
"228831"	264.03824	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+3H2O+2H"	56.04448
"1514707"	297.08079	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+IsoProp+H"	61.06479
"414390"	266.992188	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+Na+K"	61.952376
"779765"	385.000188	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+Na+K"	61.952376
"1675002"	148.984188	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Na+K"	61.952376
"264802"	536.047768	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+ACN+Na"	64.015768
"1238250"	300.031768	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+ACN+Na"	64.015768
"1725306"	300.055293	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+NH4+HCOOH"	64.039293
"1193222"	101.661218	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+3Na"	68.967654
"1663844"	305.010688	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Na+HCOOH"	68.994688
"169973"	548.95104	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+2K-H"	76.91904
"609896"	784.96704	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+2K-H"	76.91904
"1094768"	312.93504	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2K-H"	76.91904
"152681"	274.979158	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"2M+2K"	77.926316
"590789"	392.987158	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"3M+2K"	77.926316
"1077488"	156.971158	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2K"	77.926316
"1110694"	314.949592	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2K+H"	78.933592
"1347445"	315.037207	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+DMSO+H"	79.021207
"1015973"	319.076376	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2ACN+H"	83.060376
"1527549"	320.070008	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+IsoProp+Na+H"	84.054008
"991201"	160.041826	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+2ACN+2H"	84.067652
"1592873"	320.984628	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+K+HCOOH"	84.968628
"1422909"	351.016138	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+H+CF3COOH"	115.000138
"1153197"	180.555101	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+3ACN+2H"	125.094202
"1703841"	368.042685	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+NH4+CF3COOH"	132.026685
"1644960"	372.99808	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+Na+CF3COOH"	136.98208
"1586077"	388.97202	"C14611"	"1-Chloro-2-(chlorophenylmethyl)benzene"	"C13H10Cl2"	"236.016"	"M+K+CF3COOH"	152.95602
"806600"	380.126	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M"	0
"985601"	361.10761	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-H2O-H"	-19.01839
"72750"	252.410057333333	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M-3H"	-3.021828
"512311"	379.118724	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M-3H"	-3.021828
"885737"	125.701390666667	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-3H"	-3.021828
"4312"	379.118724	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M-2H"	-2.014552
"444964"	569.181724	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M-2H"	-2.014552
"828239"	189.055724	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-2H"	-2.014552
"93467"	759.244724	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M-H"	-1.007276
"531076"	1139.370724	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M-H"	-1.007276
"908514"	379.118724	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-H"	-1.007276
"61432"	776.271271	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M-2H+NH4"	16.019271
"500990"	1156.397271	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M-2H+NH4"	16.019271
"875875"	396.145271	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-2H+NH4"	16.019271
"38672"	781.226666	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M-2H+Na"	20.974666
"479324"	1161.352666	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M-2H+Na"	20.974666
"852753"	401.100666	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-2H+Na"	20.974666
"1620099"	401.100666	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Na-2H"	20.974666
"94916"	397.107063	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M-H+Cl"	33.962126
"535450"	587.170063	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M-H+Cl"	33.962126
"928357"	207.044063	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-H+Cl"	33.962126
"268979"	795.221402	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+Cl"	34.969402
"662129"	1175.347402	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+Cl"	34.969402
"1275276"	415.095402	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Cl"	34.969402
"16003"	797.200606	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M-2H+K"	36.948606
"456649"	1177.326606	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M-2H+K"	36.948606
"837746"	417.074606	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-2H+K"	36.948606
"1556858"	417.074606	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+K-2H"	36.948606
"944012"	425.124194	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-H+HCOOH"	44.998194
"363690"	805.250201	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+HCOOH-H"	44.998201
"346232"	819.265851	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+Hac-H"	59.013851
"1494934"	439.139851	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Hac-H"	59.013851
"960045"	447.106151	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-H+NaCOOH"	66.980151
"115404"	415.095402	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+2Cl"	69.938804
"550341"	605.158402	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+2Cl"	69.938804
"1031062"	225.032402	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2Cl"	69.938804
"1249546"	459.044885	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Br"	78.918885
"1308715"	461.100872	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Cl+HCOOH"	80.974872
"1328401"	483.082829	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Cl+NaCOOH"	102.956829
"916176"	493.111586	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M-H+CF3COOH"	112.985586
"1295073"	529.088264	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Cl+CF3COOH"	148.962264
"1372142"	345.113324	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H-2H2O"	-35.012676
"1386357"	363.1233	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H-H2O"	-17.0027
"288234"	761.259276	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+H"	1.007276
"678469"	1141.385276	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+H"	1.007276
"1362475"	381.133276	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H"	1.007276
"140712"	381.133276	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+2H"	2.014552
"577110"	571.196276	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+2H"	2.014552
"1049919"	191.070276	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2H"	2.014552
"210528"	254.424609333333	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+3H"	3.021828
"647901"	381.133276	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+3H"	3.021828
"1167119"	127.715942666667	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+3H"	3.021828
"425407"	778.285823	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+NH4"	18.033823
"786521"	1158.411823	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+NH4"	18.033823
"1683338"	398.159823	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+NH4"	18.033823
"331624"	389.6465495	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+H+NH4"	19.041099
"725501"	579.7095495	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+H+NH4"	19.041099
"1477497"	199.5835495	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H+NH4"	19.041099
"397643"	783.241218	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+Na"	22.989218
"757541"	1163.367218	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+Na"	22.989218
"1607831"	403.115218	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Na"	22.989218
"318961"	392.124247	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+H+Na"	23.996494
"720741"	582.187247	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+H+Na"	23.996494
"1473952"	202.061247	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H+Na"	23.996494
"1063915"	135.043256666667	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2H+Na"	25.00377
"1263406"	413.159486	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+CH3OH+H"	33.033486
"383077"	799.215158	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+K"	38.963158
"745166"	1179.341158	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+K"	38.963158
"1542844"	419.089158	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+K"	38.963158
"312063"	400.111217	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+H+K"	39.970434
"705948"	590.174217	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+H+K"	39.970434
"1460131"	210.048217	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H+K"	39.970434
"250433"	802.285826	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+ACN+H"	42.033826
"1225089"	422.159826	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+ACN+H"	42.033826
"1207633"	211.583551	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+ACN+2H"	43.041102
"203055"	805.22316	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+2Na-H"	44.97116
"643101"	1185.34916	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+2Na-H"	44.97116
"1146124"	425.09716	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2Na-H"	44.97116
"187470"	403.115218	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+2Na"	45.978436
"627518"	593.178218	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+2Na"	45.978436
"1127248"	213.052218	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2Na"	45.978436
"1404944"	142.370570666667	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H+2Na"	46.985712
"1442530"	427.138746	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H+HCOOH"	47.012746
"231858"	408.14824	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+3H2O+2H"	56.04448
"1518097"	441.19079	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+IsoProp+H"	61.06479
"417784"	411.102188	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+Na+K"	61.952376
"779874"	601.165188	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+Na+K"	61.952376
"1677299"	221.039188	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Na+K"	61.952376
"264912"	824.267768	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+ACN+Na"	64.015768
"1237621"	444.141768	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+ACN+Na"	64.015768
"1724323"	444.165293	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+NH4+HCOOH"	64.039293
"1193092"	149.697884666667	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+3Na"	68.967654
"1663953"	449.120688	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Na+HCOOH"	68.994688
"171541"	837.17104	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+2K-H"	76.91904
"610370"	1217.29704	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+2K-H"	76.91904
"1095245"	457.04504	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2K-H"	76.91904
"152063"	419.089158	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"2M+2K"	77.926316
"591992"	609.152158	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"3M+2K"	77.926316
"1077962"	229.026158	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2K"	77.926316
"1111168"	459.059592	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2K+H"	78.933592
"1347191"	459.147207	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+DMSO+H"	79.021207
"1014990"	463.186376	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2ACN+H"	83.060376
"1527659"	464.180008	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+IsoProp+Na+H"	84.054008
"994106"	232.096826	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+2ACN+2H"	84.067652
"1596267"	465.094628	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+K+HCOOH"	84.968628
"1423017"	495.126138	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+H+CF3COOH"	115.000138
"1153307"	252.610101	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+3ACN+2H"	125.094202
"1702858"	512.152685	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+NH4+CF3COOH"	132.026685
"1645070"	517.10808	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+Na+CF3COOH"	136.98208
"1586187"	533.08202	"C14612"	"Rubrophen;4-Bis(4-hydroxy-3-methoxyphenyl)methylene-2-methoxy-25-cyclohexadien-1-one"	"C22H20O6"	"380.126"	"M+K+CF3COOH"	152.95602
"806710"	216.0786	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M"	0
"986804"	197.06021	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-H2O-H"	-19.01839
"72860"	143.045124	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M-3H"	-3.021828
"512421"	215.071324	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M-3H"	-3.021828
"885847"	71.018924	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-3H"	-3.021828
"4422"	215.071324	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M-2H"	-2.014552
"442888"	323.110624	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M-2H"	-2.014552
"831269"	107.032024	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-2H"	-2.014552
"93740"	431.149924	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M-H"	-1.007276
"534175"	647.228524	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M-H"	-1.007276
"908746"	215.071324	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-H"	-1.007276
"61908"	448.176471	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M-2H+NH4"	16.019271
"501710"	664.255071	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M-2H+NH4"	16.019271
"875985"	232.097871	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-2H+NH4"	16.019271
"41698"	453.131866	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M-2H+Na"	20.974666
"479434"	669.210466	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M-2H+Na"	20.974666
"849825"	237.053266	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-2H+Na"	20.974666
"1619596"	237.053266	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Na-2H"	20.974666
"95028"	233.059663	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M-H+Cl"	33.962126
"535683"	341.098963	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M-H+Cl"	33.962126
"928225"	125.020363	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-H+Cl"	33.962126
"268480"	467.126602	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+Cl"	34.969402
"661268"	683.205202	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+Cl"	34.969402
"1275021"	251.048002	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Cl"	34.969402
"16475"	469.105806	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M-2H+K"	36.948606
"456150"	685.184406	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M-2H+K"	36.948606
"837127"	253.027206	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-2H+K"	36.948606
"1556968"	253.027206	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+K-2H"	36.948606
"943636"	261.076794	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-H+HCOOH"	44.998194
"363426"	477.155401	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+HCOOH-H"	44.998201
"347313"	491.171051	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+Hac-H"	59.013851
"1493957"	275.092451	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Hac-H"	59.013851
"959673"	283.058751	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-H+NaCOOH"	66.980151
"111259"	251.048002	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+2Cl"	69.938804
"550813"	359.087302	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+2Cl"	69.938804
"1028986"	143.008702	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2Cl"	69.938804
"1249656"	294.997485	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Br"	78.918885
"1309919"	297.053472	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Cl+HCOOH"	80.974872
"1328511"	319.035429	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Cl+NaCOOH"	102.956829
"916286"	329.064186	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M-H+CF3COOH"	112.985586
"1297370"	365.040864	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Cl+CF3COOH"	148.962264
"1376626"	181.065924	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H-2H2O"	-35.012676
"1387561"	199.0759	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H-H2O"	-17.0027
"288344"	433.164476	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+H"	1.007276
"678578"	649.243076	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+H"	1.007276
"1362586"	217.085876	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H"	1.007276
"136567"	217.085876	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+2H"	2.014552
"575034"	325.125176	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+2H"	2.014552
"1047114"	109.046576	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2H"	2.014552
"211732"	145.059676	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+3H"	3.021828
"648012"	217.085876	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+3H"	3.021828
"1166136"	73.033476	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+3H"	3.021828
"425273"	450.191023	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+NH4"	18.033823
"789303"	666.269623	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+NH4"	18.033823
"1683812"	234.112423	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+NH4"	18.033823
"331727"	225.5991495	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+H+NH4"	19.041099
"724517"	333.6384495	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+H+NH4"	19.041099
"1477728"	117.5598495	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H+NH4"	19.041099
"394830"	455.146418	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+Na"	22.989218
"756922"	671.225018	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+Na"	22.989218
"1607940"	239.067818	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Na"	22.989218
"321258"	228.076847	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+H+Na"	23.996494
"719150"	336.116147	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+H+Na"	23.996494
"1476131"	120.037547	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H+Na"	23.996494
"1060748"	80.36079	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2H+Na"	25.00377
"1263518"	249.112086	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+CH3OH+H"	33.033486
"384280"	471.120358	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+K"	38.963158
"747464"	687.198958	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+K"	38.963158
"1544048"	255.041758	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+K"	38.963158
"312173"	236.063817	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+H+K"	39.970434
"706782"	344.103117	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+H+K"	39.970434
"1460849"	128.024517	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H+K"	39.970434
"250665"	474.191026	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+ACN+H"	42.033826
"1224468"	258.112426	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+ACN+H"	42.033826
"1209203"	129.559851	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+ACN+2H"	43.041102
"203662"	477.12836	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+2Na-H"	44.97116
"643708"	693.20696	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+2Na-H"	44.97116
"1145624"	261.04976	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2Na-H"	44.97116
"186847"	239.067818	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+2Na"	45.978436
"626041"	347.107118	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+2Na"	45.978436
"1128086"	131.028518	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2Na"	45.978436
"1403961"	87.688104	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H+2Na"	46.985712
"1444100"	263.091346	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H+HCOOH"	47.012746
"229053"	244.10084	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+3H2O+2H"	56.04448
"1518207"	277.14339	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+IsoProp+H"	61.06479
"416801"	247.054788	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+Na+K"	61.952376
"778891"	355.094088	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+Na+K"	61.952376
"1675222"	139.015488	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Na+K"	61.952376
"265023"	496.172968	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+ACN+Na"	64.015768
"1238826"	280.094368	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+ACN+Na"	64.015768
"1727355"	280.117893	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+NH4+HCOOH"	64.039293
"1192349"	95.015418	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+3Na"	68.967654
"1663335"	285.073288	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Na+HCOOH"	68.994688
"170925"	509.07624	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+2K-H"	76.91904
"611212"	725.15484	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+2K-H"	76.91904
"1096084"	292.99764	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2K-H"	76.91904
"154361"	255.041758	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"2M+2K"	77.926316
"591738"	363.081058	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"3M+2K"	77.926316
"1080624"	147.002458	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2K"	77.926316
"1110187"	295.012192	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2K+H"	78.933592
"1344387"	295.099807	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+DMSO+H"	79.021207
"1016559"	299.138976	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2ACN+H"	83.060376
"1525580"	300.132608	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+IsoProp+Na+H"	84.054008
"994217"	150.073126	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+2ACN+2H"	84.067652
"1593097"	301.047228	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+K+HCOOH"	84.968628
"1425316"	331.078738	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+H+CF3COOH"	115.000138
"1153418"	170.586401	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+3ACN+2H"	125.094202
"1704061"	348.105285	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+NH4+CF3COOH"	132.026685
"1641900"	353.06068	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+Na+CF3COOH"	136.98208
"1586297"	369.03462	"C14613"	"Allenolic acid;6-Hydroxy-2-naphthalenepropanoic acid"	"C13H12O3"	"216.0786"	"M+K+CF3COOH"	152.95602
"806820"	222.0939	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M"	0
"985821"	203.07551	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-H2O-H"	-19.01839
"71877"	147.055324	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M-3H"	-3.021828
"512531"	221.086624	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M-3H"	-3.021828
"885957"	73.024024	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-3H"	-3.021828
"2345"	221.086624	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M-2H"	-2.014552
"445185"	332.133574	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M-2H"	-2.014552
"830282"	110.039674	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-2H"	-2.014552
"93566"	443.180524	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M-H"	-1.007276
"532634"	665.274424	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M-H"	-1.007276
"909098"	221.086624	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-H"	-1.007276
"61411"	460.207071	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M-2H+NH4"	16.019271
"501697"	682.300971	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M-2H+NH4"	16.019271
"877189"	238.113171	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-2H+NH4"	16.019271
"42172"	465.162466	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M-2H+Na"	20.974666
"479544"	687.256366	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M-2H+Na"	20.974666
"856254"	243.068566	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-2H+Na"	20.974666
"1621411"	243.068566	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Na-2H"	20.974666
"94776"	239.074963	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M-H+Cl"	33.962126
"534942"	350.121913	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M-H+Cl"	33.962126
"927605"	128.028013	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-H+Cl"	33.962126
"267986"	479.157202	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+Cl"	34.969402
"661013"	701.251102	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+Cl"	34.969402
"1275859"	257.063302	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Cl"	34.969402
"15980"	481.136406	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M-2H+K"	36.948606
"455978"	703.230306	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M-2H+K"	36.948606
"836142"	259.042506	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-2H+K"	36.948606
"1558170"	259.042506	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+K-2H"	36.948606
"944232"	267.092094	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-H+HCOOH"	44.998194
"363171"	489.186001	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+HCOOH-H"	44.998201
"345963"	503.201651	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+Hac-H"	59.013851
"1494799"	281.107751	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Hac-H"	59.013851
"959786"	289.074051	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-H+NaCOOH"	66.980151
"112342"	257.063302	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+2Cl"	69.938804
"550322"	368.110252	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+2Cl"	69.938804
"1029096"	146.016352	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2Cl"	69.938804
"1249766"	301.012785	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Br"	78.918885
"1308932"	303.068772	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Cl+HCOOH"	80.974872
"1324244"	325.050729	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Cl+NaCOOH"	102.956829
"916396"	335.079486	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M-H+CF3COOH"	112.985586
"1300762"	371.056164	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Cl+CF3COOH"	148.962264
"1377830"	187.081224	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H-2H2O"	-35.012676
"1390951"	205.0912	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H-H2O"	-17.0027
"289544"	445.195076	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+H"	1.007276
"683058"	667.288976	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+H"	1.007276
"1362696"	223.101176	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H"	1.007276
"136677"	223.101176	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+2H"	2.014552
"575144"	334.148126	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+2H"	2.014552
"1043943"	112.054226	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2H"	2.014552
"208926"	149.069876	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+3H"	3.021828
"649214"	223.101176	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+3H"	3.021828
"1166246"	75.038576	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+3H"	3.021828
"426234"	462.221623	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+NH4"	18.033823
"786740"	684.315523	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+NH4"	18.033823
"1682586"	240.127723	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+NH4"	18.033823
"331593"	231.6144495	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+H+NH4"	19.041099
"725356"	342.6613995	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+H+NH4"	19.041099
"1478202"	120.5674995	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H+NH4"	19.041099
"394576"	467.177018	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+Na"	22.989218
"760311"	689.270918	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+Na"	22.989218
"1606957"	245.083118	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Na"	22.989218
"319181"	234.092147	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+H+Na"	23.996494
"715985"	345.139097	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+H+Na"	23.996494
"1471992"	123.045197	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H+Na"	23.996494
"1061953"	82.36589	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2H+Na"	25.00377
"1262535"	255.127386	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+CH3OH+H"	33.033486
"382204"	483.150958	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+K"	38.963158
"745388"	705.244858	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+K"	38.963158
"1543065"	261.057058	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+K"	38.963158
"309003"	242.079117	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+H+K"	39.970434
"705799"	353.126067	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+H+K"	39.970434
"1459986"	131.032167	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H+K"	39.970434
"248951"	486.221626	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+ACN+H"	42.033826
"1222024"	264.127726	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+ACN+H"	42.033826
"1209438"	132.567501	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+ACN+2H"	43.041102
"203882"	489.15896	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+2Na-H"	44.97116
"644103"	711.25286	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+2Na-H"	44.97116
"1143303"	267.06506	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2Na-H"	44.97116
"186956"	245.083118	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+2Na"	45.978436
"625787"	356.130068	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+2Na"	45.978436
"1123824"	134.036168	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2Na"	45.978436
"1404071"	89.693204	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H+2Na"	46.985712
"1444573"	269.106646	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H+HCOOH"	47.012746
"229163"	250.11614	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+3H2O+2H"	56.04448
"1517225"	283.15869	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+IsoProp+H"	61.06479
"415819"	253.070088	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+Na+K"	61.952376
"775721"	364.117038	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+Na+K"	61.952376
"1675332"	142.023138	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Na+K"	61.952376
"262947"	508.203568	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+ACN+Na"	64.015768
"1239666"	286.109668	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+ACN+Na"	64.015768
"1726735"	286.133193	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+NH4+HCOOH"	64.039293
"1192458"	97.020518	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+3Na"	68.967654
"1662715"	291.088588	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Na+HCOOH"	68.994688
"171032"	521.10684	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+2K-H"	76.91904
"609863"	743.20074	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+2K-H"	76.91904
"1095829"	299.01294	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2K-H"	76.91904
"151556"	261.057058	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"2M+2K"	77.926316
"592212"	372.104008	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"3M+2K"	77.926316
"1079641"	150.010108	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2K"	77.926316
"1109932"	301.027492	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2K+H"	78.933592
"1345226"	301.115107	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+DMSO+H"	79.021207
"1016304"	305.154276	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2ACN+H"	83.060376
"1530064"	306.147908	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+IsoProp+Na+H"	84.054008
"995422"	153.080776	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+2ACN+2H"	84.067652
"1595393"	307.062528	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+K+HCOOH"	84.968628
"1426520"	337.094038	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+H+CF3COOH"	115.000138
"1156808"	173.594051	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+3ACN+2H"	125.094202
"1701984"	354.120585	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+NH4+CF3COOH"	132.026685
"1642010"	359.07598	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+Na+CF3COOH"	136.98208
"1586407"	375.04992	"C14614"	"6-(Pentylthio)purine;6-Amylmercaptopurine"	"C10H14N4S"	"222.0939"	"M+K+CF3COOH"	152.95602
"806930"	316.2038	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M"	0
"985931"	297.18541	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"73080"	209.795257333333	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"512641"	315.196524	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"887160"	104.393990666667	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"6829"	315.196524	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"446388"	473.298424	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"824191"	157.094624	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"93549"	631.400324	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"533920"	947.604124	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"909935"	315.196524	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"62834"	648.426871	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"502377"	964.630671	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"877299"	332.223071	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"42282"	653.382266	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"477469"	969.586066	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"856364"	337.178466	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1620428"	337.178466	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"95127"	333.184863	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"535052"	491.286763	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"927311"	175.082963	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"268218"	667.377002	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"660757"	983.580802	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1274875"	351.173202	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"16701"	669.356206	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"455903"	985.560006	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"836253"	353.152406	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1555782"	353.152406	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"945434"	361.201994	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"362926"	677.405801	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"347903"	691.421451	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1495642"	375.217651	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"960992"	383.183951	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"112454"	351.173202	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"552013"	509.275102	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1021582"	193.071302	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1241602"	395.122685	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1307950"	397.178672	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1326540"	419.160629	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"916506"	429.189386	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1303058"	465.166064	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1378668"	281.191124	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1391061"	299.2011	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"288561"	633.414876	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"683168"	949.618676	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1351615"	317.211076	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"138973"	317.211076	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"578534"	475.312976	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1047333"	159.109176	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"211951"	211.809809333333	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"650417"	317.211076	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1164167"	106.408542666667	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"426345"	650.441423	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"787339"	966.645223	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1682332"	334.237623	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"330975"	325.7243495	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"726559"	483.8262495	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1478557"	167.6224495	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"394686"	655.396818	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"762244"	971.600618	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1613629"	339.193018	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"323663"	328.202047	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"716090"	486.303947	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1472094"	170.100147	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1063157"	113.735856666667	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1263740"	349.237286	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"389972"	671.370758	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"745498"	987.574558	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1540990"	355.166958	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"312637"	336.189017	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"705551"	494.290917	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1461306"	178.087117	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"251305"	674.441426	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1225584"	358.237626	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1209885"	179.622451	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"203628"	677.37876	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"643801"	993.58256	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1145601"	361.17496	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"188452"	339.193018	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"626260"	497.294918	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1126120"	181.091118	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1409648"	121.063170666667	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1444683"	363.216546	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"229273"	344.22604	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1515149"	377.26859	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"420304"	347.179988	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"777654"	505.281888	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1674349"	189.078088	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"265243"	696.423368	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1237952"	380.219568	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1726846"	380.243093	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1192199"	128.390484666667	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1663184"	385.198488	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"169684"	709.32664	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"609970"	1025.53044	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1094849"	393.12284	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"153125"	355.166958	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"595241"	513.268858	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1079388"	197.065058	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1107127"	395.137392	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1345700"	395.225007	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1016414"	399.264176	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1531269"	400.257808	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"998812"	200.135726	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1600970"	401.172428	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1428816"	431.203938	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1162629"	220.649001	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1703188"	448.230485	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1645400"	453.18588	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1586517"	469.15982	"C14615"	"17beta-Hydroxy-17-methylandrost-4-ene-311-dione"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"807040"	340.2414	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M"	0
"986041"	321.22301	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H2O-H"	-19.01839
"73190"	225.820324	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-3H"	-3.021828
"512751"	339.234124	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-3H"	-3.021828
"882897"	112.406524	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-3H"	-3.021828
"5845"	339.234124	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H"	-2.014552
"440543"	509.354824	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H"	-2.014552
"818833"	169.113424	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H"	-2.014552
"89401"	679.475524	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-H"	-1.007276
"532244"	1019.716924	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-H"	-1.007276
"904943"	339.234124	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H"	-1.007276
"61631"	696.502071	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H+NH4"	16.019271
"498880"	1036.743471	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H+NH4"	16.019271
"876681"	356.260671	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H+NH4"	16.019271
"42393"	701.457466	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H+Na"	20.974666
"480860"	1041.698866	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H+Na"	20.974666
"858297"	361.216066	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H+Na"	20.974666
"1620539"	361.216066	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na-2H"	20.974666
"94425"	357.222463	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-H+Cl"	33.962126
"534554"	527.343163	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-H+Cl"	33.962126
"927381"	187.101763	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+Cl"	33.962126
"267233"	715.452202	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Cl"	34.969402
"660097"	1055.693602	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+Cl"	34.969402
"1272763"	375.210802	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl"	34.969402
"15741"	717.431406	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H+K"	36.948606
"455685"	1057.672806	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H+K"	36.948606
"835632"	377.190006	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H+K"	36.948606
"1555872"	377.190006	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K-2H"	36.948606
"949196"	385.239594	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+HCOOH"	44.998194
"371785"	725.481001	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+HCOOH-H"	44.998201
"351294"	739.496651	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Hac-H"	59.013851
"1494657"	399.255251	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Hac-H"	59.013851
"958711"	407.221551	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+NaCOOH"	66.980151
"114018"	375.210802	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2Cl"	69.938804
"550665"	545.331502	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2Cl"	69.938804
"1021652"	205.090102	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2Cl"	69.938804
"1242076"	419.160285	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Br"	78.918885
"1306956"	421.216272	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl+HCOOH"	80.974872
"1320441"	443.198229	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl+NaCOOH"	102.956829
"912229"	453.226986	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+CF3COOH"	112.985586
"1303047"	489.203664	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl+CF3COOH"	148.962264
"1374768"	305.228724	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H-2H2O"	-35.012676
"1388983"	323.2387	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H-H2O"	-17.0027
"283931"	681.490076	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H"	1.007276
"676351"	1021.731476	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H"	1.007276
"1352698"	341.248676	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H"	1.007276
"136897"	341.248676	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2H"	2.014552
"576458"	511.369376	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2H"	2.014552
"1043070"	171.127976	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2H"	2.014552
"210968"	227.834876	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+3H"	3.021828
"647248"	341.248676	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+3H"	3.021828
"1165372"	114.421076	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+3H"	3.021828
"425362"	698.516623	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+NH4"	18.033823
"786479"	1038.758023	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+NH4"	18.033823
"1681471"	358.275223	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+NH4"	18.033823
"336436"	349.7619495	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H+NH4"	19.041099
"725577"	519.8826495	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H+NH4"	19.041099
"1478667"	179.6412495	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+NH4"	19.041099
"396987"	703.472018	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Na"	22.989218
"757981"	1043.713418	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+Na"	22.989218
"1609363"	363.230618	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na"	22.989218
"318307"	352.239647	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H+Na"	23.996494
"711819"	522.360347	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H+Na"	23.996494
"1467825"	182.118947	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+Na"	23.996494
"1063267"	121.74839	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2H+Na"	25.00377
"1263850"	373.274886	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+CH3OH+H"	33.033486
"390813"	719.445958	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+K"	38.963158
"744515"	1059.687358	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+K"	38.963158
"1541100"	379.204558	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K"	38.963158
"311774"	360.226617	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H+K"	39.970434
"706670"	530.347317	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H+K"	39.970434
"1459473"	190.105917	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+K"	39.970434
"250629"	722.516626	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+ACN+H"	42.033826
"1225327"	382.275226	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+ACN+H"	42.033826
"1209765"	191.641251	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+ACN+2H"	43.041102
"203009"	725.45396	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2Na-H"	44.97116
"642568"	1065.69536	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2Na-H"	44.97116
"1142428"	385.21256	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2Na-H"	44.97116
"184989"	363.230618	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2Na"	45.978436
"620538"	533.351318	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2Na"	45.978436
"1120764"	193.109918	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2Na"	45.978436
"1409758"	129.075704	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+2Na"	46.985712
"1444429"	387.254146	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+HCOOH"	47.012746
"227196"	368.26364	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+3H2O+2H"	56.04448
"1516352"	401.30619	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+IsoProp+H"	61.06479
"422236"	371.217588	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Na+K"	61.952376
"778128"	541.338288	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+Na+K"	61.952376
"1674459"	201.096888	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na+K"	61.952376
"265353"	744.498568	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+ACN+Na"	64.015768
"1238062"	404.257168	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+ACN+Na"	64.015768
"1727685"	404.280693	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+NH4+HCOOH"	64.039293
"1192306"	136.403018	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+3Na"	68.967654
"1662198"	409.236088	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na+HCOOH"	68.994688
"169061"	757.40184	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2K-H"	76.91904
"605340"	1097.64324	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2K-H"	76.91904
"1094230"	417.16044	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2K-H"	76.91904
"152871"	379.204558	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2K"	77.926316
"591706"	549.325258	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2K"	77.926316
"1077309"	209.083858	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2K"	77.926316
"1109427"	419.174992	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2K+H"	78.933592
"1347631"	419.262607	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+DMSO+H"	79.021207
"1017619"	423.301776	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2ACN+H"	83.060376
"1533560"	424.295408	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+IsoProp+Na+H"	84.054008
"1000015"	212.154526	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2ACN+2H"	84.067652
"1599986"	425.210028	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K+HCOOH"	84.968628
"1429494"	455.241538	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+CF3COOH"	115.000138
"1162734"	232.667801	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+3ACN+2H"	125.094202
"1710949"	472.268085	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+NH4+CF3COOH"	132.026685
"1645510"	477.22348	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na+CF3COOH"	136.98208
"1586627"	493.19742	"C14616"	"(3alpha5beta11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K+CF3COOH"	152.95602
"807150"	212.1062	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M"	0
"986151"	193.08781	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-H2O-H"	-19.01839
"73300"	140.396857333333	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M-3H"	-3.021828
"512861"	211.098924	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M-3H"	-3.021828
"887382"	69.6947906666667	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-3H"	-3.021828
"5956"	211.098924	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M-2H"	-2.014552
"443328"	317.152024	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M-2H"	-2.014552
"821130"	105.045824	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-2H"	-2.014552
"84407"	423.205124	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M-H"	-1.007276
"530528"	635.311324	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M-H"	-1.007276
"907603"	211.098924	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-H"	-1.007276
"60890"	440.231671	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M-2H+NH4"	16.019271
"501057"	652.337871	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M-2H+NH4"	16.019271
"878251"	228.125471	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-2H+NH4"	16.019271
"41410"	445.187066	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M-2H+Na"	20.974666
"480970"	657.293266	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M-2H+Na"	20.974666
"858407"	233.080866	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-2H+Na"	20.974666
"1620649"	233.080866	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Na-2H"	20.974666
"94373"	229.087263	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M-H+Cl"	33.962126
"535192"	335.140363	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M-H+Cl"	33.962126
"927737"	123.034163	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-H+Cl"	33.962126
"267828"	459.181802	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+Cl"	34.969402
"660612"	671.288002	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+Cl"	34.969402
"1275456"	247.075602	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Cl"	34.969402
"17287"	461.161006	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M-2H+K"	36.948606
"455743"	673.267206	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M-2H+K"	36.948606
"838293"	249.054806	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-2H+K"	36.948606
"1558135"	249.054806	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+K-2H"	36.948606
"946026"	257.104394	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-H+HCOOH"	44.998194
"368615"	469.210601	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+HCOOH-H"	44.998201
"350311"	483.226251	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+Hac-H"	59.013851
"1495857"	271.120051	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Hac-H"	59.013851
"959022"	279.086351	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-H+NaCOOH"	66.980151
"110482"	247.075602	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+2Cl"	69.938804
"554783"	353.128702	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+2Cl"	69.938804
"1023949"	141.022502	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2Cl"	69.938804
"1242187"	291.025085	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Br"	78.918885
"1305972"	293.081072	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Cl+HCOOH"	80.974872
"1321284"	315.063029	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Cl+NaCOOH"	102.956829
"912220"	325.091786	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M-H+CF3COOH"	112.985586
"1303036"	361.068464	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Cl+CF3COOH"	148.962264
"1377065"	177.093524	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H-2H2O"	-35.012676
"1391280"	195.1035	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H-H2O"	-17.0027
"284890"	425.219676	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+H"	1.007276
"678285"	637.325876	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+H"	1.007276
"1353540"	213.113476	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H"	1.007276
"133727"	213.113476	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+2H"	2.014552
"571101"	319.166576	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+2H"	2.014552
"1043180"	107.060376	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2H"	2.014552
"209985"	142.411409333333	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+3H"	3.021828
"647722"	213.113476	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+3H"	3.021828
"1164751"	71.7093426666667	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+3H"	3.021828
"426198"	442.246223	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+NH4"	18.033823
"786705"	654.352423	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+NH4"	18.033823
"1682915"	230.140023	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+NH4"	18.033823
"336546"	221.6267495	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+H+NH4"	19.041099
"725321"	327.6798495	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+H+NH4"	19.041099
"1479141"	115.5736495	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H+NH4"	19.041099
"397458"	447.201618	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+Na"	22.989218
"756264"	659.307818	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+Na"	22.989218
"1607647"	235.095418	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Na"	22.989218
"317682"	224.104447	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+H+Na"	23.996494
"714115"	330.157547	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+H+Na"	23.996494
"1467934"	118.051347	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H+Na"	23.996494
"1061186"	79.0366566666667	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2H+Na"	25.00377
"1263960"	245.139686	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+CH3OH+H"	33.033486
"390192"	463.175558	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+K"	38.963158
"743531"	675.281758	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+K"	38.963158
"1541571"	251.069358	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+K"	38.963158
"313102"	232.091417	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+H+K"	39.970434
"706904"	338.144517	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+H+K"	39.970434
"1459583"	126.038317	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H+K"	39.970434
"251106"	466.246226	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+ACN+H"	42.033826
"1224913"	254.140026	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+ACN+H"	42.033826
"1209278"	127.573651	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+ACN+2H"	43.041102
"202634"	469.18356	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+2Na-H"	44.97116
"642921"	681.28976	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+2Na-H"	44.97116
"1143995"	257.07736	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2Na-H"	44.97116
"186191"	235.095418	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+2Na"	45.978436
"620648"	341.148518	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+2Na"	45.978436
"1120873"	129.042318	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2Na"	45.978436
"1409868"	86.3639706666667	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H+2Na"	46.985712
"1441991"	259.118946	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H+HCOOH"	47.012746
"228399"	240.12844	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+3H2O+2H"	56.04448
"1516462"	273.17099	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+IsoProp+H"	61.06479
"416147"	243.082388	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+Na+K"	61.952376
"778238"	349.135488	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+Na+K"	61.952376
"1674569"	137.029288	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Na+K"	61.952376
"263279"	488.228168	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+ACN+Na"	64.015768
"1238540"	276.121968	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+ACN+Na"	64.015768
"1727432"	276.145493	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+NH4+HCOOH"	64.039293
"1190231"	93.6912846666667	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+3Na"	68.967654
"1659393"	281.100888	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Na+HCOOH"	68.994688
"166621"	501.13144	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+2K-H"	76.91904
"605814"	713.23764	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+2K-H"	76.91904
"1090694"	289.02524	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2K-H"	76.91904
"150431"	251.069358	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"2M+2K"	77.926316
"591816"	357.122458	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"3M+2K"	77.926316
"1077784"	145.016258	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2K"	77.926316
"1110995"	291.039792	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2K+H"	78.933592
"1344825"	291.127407	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+DMSO+H"	79.021207
"1016271"	295.166576	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2ACN+H"	83.060376
"1533670"	296.160208	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+IsoProp+Na+H"	84.054008
"1002312"	148.086926	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+2ACN+2H"	84.067652
"1600096"	297.074828	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+K+HCOOH"	84.968628
"1429686"	327.106338	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+H+CF3COOH"	115.000138
"1162646"	168.600201	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+3ACN+2H"	125.094202
"1712031"	344.132885	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+NH4+CF3COOH"	132.026685
"1645620"	349.08828	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+Na+CF3COOH"	136.98208
"1586737"	365.06222	"C14617"	"Chrysoidine free base;Grasan Chrysoidine"	"C12H12N4"	"212.1062"	"M+K+CF3COOH"	152.95602
"807260"	378.1843	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M"	0
"987354"	359.16591	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H2O-H"	-19.01839
"73410"	251.115590666667	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-3H"	-3.021828
"512971"	377.177024	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-3H"	-3.021828
"888585"	125.054157333333	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-3H"	-3.021828
"6066"	377.177024	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H"	-2.014552
"444531"	566.269174	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H"	-2.014552
"821240"	188.084874	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H"	-2.014552
"81237"	755.361324	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-H"	-1.007276
"524078"	1133.545624	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-H"	-1.007276
"907348"	377.177024	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H"	-1.007276
"56257"	772.387871	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H+NH4"	16.019271
"499827"	1150.572171	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H+NH4"	16.019271
"878969"	394.203571	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H+NH4"	16.019271
"43706"	777.343266	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H+Na"	20.974666
"477800"	1155.527566	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H+Na"	20.974666
"855601"	399.158966	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H+Na"	20.974666
"1621851"	399.158966	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na-2H"	20.974666
"95458"	395.165363	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-H+Cl"	33.962126
"535260"	584.257513	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-H+Cl"	33.962126
"928048"	206.073213	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+Cl"	33.962126
"267692"	791.338002	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Cl"	34.969402
"660236"	1169.522302	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+Cl"	34.969402
"1275931"	413.153702	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl"	34.969402
"18854"	793.317206	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H+K"	36.948606
"456952"	1171.501506	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H+K"	36.948606
"838403"	415.132906	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H+K"	36.948606
"1556787"	415.132906	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K-2H"	36.948606
"945042"	423.182494	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+HCOOH"	44.998194
"369818"	801.366801	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+HCOOH-H"	44.998201
"350421"	815.382451	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Hac-H"	59.013851
"1495966"	437.198151	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Hac-H"	59.013851
"959740"	445.164451	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+NaCOOH"	66.980151
"113145"	413.153702	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2Cl"	69.938804
"555623"	602.245852	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2Cl"	69.938804
"1024056"	224.061552	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2Cl"	69.938804
"1244730"	457.103185	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Br"	78.918885
"1308271"	459.159172	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl+HCOOH"	80.974872
"1323581"	481.141129	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl+NaCOOH"	102.956829
"912816"	491.169886	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+CF3COOH"	112.985586
"1301199"	527.146564	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl+CF3COOH"	148.962264
"1377175"	343.171624	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H-2H2O"	-35.012676
"1388109"	361.1816	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H-H2O"	-17.0027
"284999"	757.375876	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H"	1.007276
"677664"	1135.560176	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H"	1.007276
"1354378"	379.191576	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H"	1.007276
"133837"	379.191576	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2H"	2.014552
"571211"	568.283726	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2H"	2.014552
"1043290"	190.099426	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2H"	2.014552
"208637"	253.130142666667	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+3H"	3.021828
"647103"	379.191576	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+3H"	3.021828
"1165225"	127.068709333333	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+3H"	3.021828
"424851"	774.402423	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+NH4"	18.033823
"785715"	1152.586723	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+NH4"	18.033823
"1681810"	396.218123	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+NH4"	18.033823
"335563"	387.7048495	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H+NH4"	19.041099
"724580"	576.7969995	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H+NH4"	19.041099
"1479251"	198.6126995	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+NH4"	19.041099
"398661"	779.357818	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Na"	22.989218
"756738"	1157.542118	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+Na"	22.989218
"1609580"	401.173518	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na"	22.989218
"316697"	390.182547	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H+Na"	23.996494
"715318"	579.274697	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H+Na"	23.996494
"1470231"	201.090397	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+Na"	23.996494
"1061296"	134.396023333333	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2H+Na"	25.00377
"1261884"	411.217786	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+CH3OH+H"	33.033486
"390302"	795.331758	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+K"	38.963158
"742548"	1173.516058	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+K"	38.963158
"1541682"	417.147458	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K"	38.963158
"313213"	398.169517	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H+K"	39.970434
"706240"	587.261667	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H+K"	39.970434
"1459693"	209.077367	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+K"	39.970434
"250608"	798.402426	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+ACN+H"	42.033826
"1225023"	420.218126	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+ACN+H"	42.033826
"1208785"	210.612701	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+ACN+2H"	43.041102
"203109"	801.33976	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2Na-H"	44.97116
"643395"	1179.52406	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2Na-H"	44.97116
"1144105"	423.15546	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2Na-H"	44.97116
"187883"	401.173518	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2Na"	45.978436
"620758"	590.265668	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2Na"	45.978436
"1119890"	212.081368	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2Na"	45.978436
"1407791"	141.723337333333	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+2Na"	46.985712
"1442101"	425.197046	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+HCOOH"	47.012746
"229602"	406.20654	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+3H2O+2H"	56.04448
"1516572"	439.24909	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+IsoProp+H"	61.06479
"416257"	409.160488	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Na+K"	61.952376
"777255"	598.252638	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+Na+K"	61.952376
"1674679"	220.068338	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na+K"	61.952376
"263023"	820.384368	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+ACN+Na"	64.015768
"1236464"	442.200068	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+ACN+Na"	64.015768
"1726813"	442.223593	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+NH4+HCOOH"	64.039293
"1189612"	149.050651333333	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+3Na"	68.967654
"1659139"	447.178988	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na+HCOOH"	68.994688
"165272"	833.28764	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2K-H"	76.91904
"605559"	1211.47194	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2K-H"	76.91904
"1091168"	455.10334	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2K-H"	76.91904
"149448"	417.147458	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2K"	77.926316
"589739"	606.239608	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2K"	77.926316
"1077894"	228.055308	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2K"	77.926316
"1110012"	457.117892	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2K+H"	78.933592
"1346393"	457.205507	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+DMSO+H"	79.021207
"1015651"	461.244676	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2ACN+H"	83.060376
"1531594"	462.238308	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+IsoProp+Na+H"	84.054008
"1002421"	231.125976	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2ACN+2H"	84.067652
"1601300"	463.152928	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K+HCOOH"	84.968628
"1429146"	493.184438	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+CF3COOH"	115.000138
"1162107"	251.639251	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+3ACN+2H"	125.094202
"1711169"	510.210985	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+NH4+CF3COOH"	132.026685
"1644637"	515.16638	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na+CF3COOH"	136.98208
"1586847"	531.14032	"C14618"	"6alpha-Fluoroprednisolone;Fluprednisolone;6alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K+CF3COOH"	152.95602
"807370"	169.0294	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M"	0
"987464"	150.01101	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-H2O-H"	-19.01839
"73520"	111.678990666667	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M-3H"	-3.021828
"516726"	168.022124	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M-3H"	-3.021828
"888695"	55.3358573333333	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-3H"	-3.021828
"6176"	168.022124	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M-2H"	-2.014552
"443548"	252.536824	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M-2H"	-2.014552
"820256"	83.507424	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-2H"	-2.014552
"81347"	337.051524	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M-H"	-1.007276
"524188"	506.080924	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M-H"	-1.007276
"908551"	168.022124	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-H"	-1.007276
"59282"	354.078071	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M-2H+NH4"	16.019271
"502491"	523.107471	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M-2H+NH4"	16.019271
"879608"	185.048671	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-2H+NH4"	16.019271
"43816"	359.033466	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M-2H+Na"	20.974666
"481190"	528.062866	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M-2H+Na"	20.974666
"855711"	190.004066	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-2H+Na"	20.974666
"1623054"	190.004066	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Na-2H"	20.974666
"97393"	186.010463	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M-H+Cl"	33.962126
"535860"	270.525163	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M-H+Cl"	33.962126
"929377"	101.495763	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-H+Cl"	33.962126
"268172"	373.028202	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+Cl"	34.969402
"661812"	542.057602	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+Cl"	34.969402
"1275675"	203.998802	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Cl"	34.969402
"18967"	375.007406	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M-2H+K"	36.948606
"457792"	544.036806	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M-2H+K"	36.948606
"837058"	205.978006	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-2H+K"	36.948606
"1556897"	205.978006	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+K-2H"	36.948606
"947339"	214.027594	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-H+HCOOH"	44.998194
"369564"	383.057001	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+HCOOH-H"	44.998201
"350531"	397.072651	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+Hac-H"	59.013851
"1493893"	228.043251	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Hac-H"	59.013851
"959486"	236.009551	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-H+NaCOOH"	66.980151
"112891"	203.998802	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+2Cl"	69.938804
"555369"	288.513502	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+2Cl"	69.938804
"1027449"	119.484102	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2Cl"	69.938804
"1247028"	247.948285	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Br"	78.918885
"1311663"	250.004272	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Cl+HCOOH"	80.974872
"1325880"	271.986229	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Cl+NaCOOH"	102.956829
"912562"	282.014986	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M-H+CF3COOH"	112.985586
"1291458"	317.991664	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Cl+CF3COOH"	148.962264
"1371817"	134.016724	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H-2H2O"	-35.012676
"1388218"	152.0267	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H-H2O"	-17.0027
"283369"	339.066076	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+H"	1.007276
"678140"	508.095476	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+H"	1.007276
"1352299"	170.036676	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H"	1.007276
"125835"	170.036676	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+2H"	2.014552
"566448"	254.551376	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+2H"	2.014552
"1038288"	85.521976	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2H"	2.014552
"209108"	113.693542666667	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+3H"	3.021828
"649035"	170.036676	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+3H"	3.021828
"1165701"	57.3504093333333	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+3H"	3.021828
"424597"	356.092623	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+NH4"	18.033823
"785685"	525.122023	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+NH4"	18.033823
"1681552"	187.063223	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+NH4"	18.033823
"330078"	178.5499495	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+H+NH4"	19.041099
"723961"	263.0646495	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+H+NH4"	19.041099
"1480455"	94.0352495	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H+NH4"	19.041099
"398042"	361.048018	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+Na"	22.989218
"756850"	530.077418	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+Na"	22.989218
"1612972"	192.018618	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Na"	22.989218
"320818"	181.027647	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+H+Na"	23.996494
"715428"	265.542347	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+H+Na"	23.996494
"1469248"	96.512947	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H+Na"	23.996494
"1058120"	64.6777233333333	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2H+Na"	25.00377
"1259432"	202.062886	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+CH3OH+H"	33.033486
"380557"	377.021958	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+K"	38.963158
"741565"	546.051358	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+K"	38.963158
"1541792"	207.992558	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+K"	38.963158
"313807"	189.014617	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+H+K"	39.970434
"704157"	273.529317	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+H+K"	39.970434
"1460167"	104.499917	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H+K"	39.970434
"250967"	380.092626	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+ACN+H"	42.033826
"1225590"	211.063226	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+ACN+H"	42.033826
"1209896"	106.035251	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+ACN+2H"	43.041102
"204188"	383.02996	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+2Na-H"	44.97116
"643749"	552.05936	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+2Na-H"	44.97116
"1145675"	214.00056	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2Na-H"	44.97116
"188388"	192.018618	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+2Na"	45.978436
"617587"	276.533318	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+2Na"	45.978436
"1122187"	107.503918	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2Na"	45.978436
"1411181"	72.0050373333333	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H+2Na"	46.985712
"1444640"	216.042146	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H+HCOOH"	47.012746
"234451"	197.05164	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+3H2O+2H"	56.04448
"1522514"	230.09419	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+IsoProp+H"	61.06479
"419647"	200.005588	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+Na+K"	61.952376
"781374"	284.520288	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+Na+K"	61.952376
"1678069"	115.490888	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Na+K"	61.952376
"261309"	402.074568	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+ACN+Na"	64.015768
"1238030"	233.045168	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+ACN+Na"	64.015768
"1725463"	233.068693	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+NH4+HCOOH"	64.039293
"1188628"	79.3323513333333	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+3Na"	68.967654
"1660340"	238.024088	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Na+HCOOH"	68.994688
"163924"	414.97784	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+2K-H"	76.91904
"604575"	584.00724	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+2K-H"	76.91904
"1087996"	245.94844	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2K-H"	76.91904
"150651"	207.992558	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"2M+2K"	77.926316
"593859"	292.507258	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"3M+2K"	77.926316
"1080556"	123.477858	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2K"	77.926316
"1109392"	247.962992	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2K+H"	78.933592
"1345044"	248.050607	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+DMSO+H"	79.021207
"1018313"	252.089776	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2ACN+H"	83.060376
"1533890"	253.083408	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+IsoProp+Na+H"	84.054008
"1001438"	126.548526	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+2ACN+2H"	84.067652
"1600316"	253.998028	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+K+HCOOH"	84.968628
"1427797"	284.029538	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+H+CF3COOH"	115.000138
"1160636"	147.061801	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+3ACN+2H"	125.094202
"1709092"	301.056085	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+NH4+CF3COOH"	132.026685
"1644747"	306.01148	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+Na+CF3COOH"	136.98208
"1586957"	321.98542	"C14619"	"o-Chloroacetanilide;2-Chloroacetanilide;N-(2-Chlorophenyl)acetamide"	"C8H8ClNO"	"169.0294"	"M+K+CF3COOH"	152.95602
"807480"	253.0739	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M"	0
"987210"	234.05551	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M-H2O-H"	-19.01839
"73630"	167.708657333333	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"2M-3H"	-3.021828
"517200"	252.066624	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"3M-3H"	-3.021828
"888805"	83.3506906666667	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M-3H"	-3.021828
"6286"	252.066624	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"2M-2H"	-2.014552
"443658"	378.603574	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"3M-2H"	-2.014552
"819273"	125.529674	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M-2H"	-2.014552
"81457"	505.140524	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"2M-H"	-1.007276
"524298"	758.214424	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"3M-H"	-1.007276
"908661"	252.066624	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M-H"	-1.007276
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"1478378"	136.0574995	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+H+NH4"	19.041099
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"754475"	782.210918	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"3M+Na"	22.989218
"1608705"	276.063118	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+Na"	22.989218
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"1054217"	92.6925566666667	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+2H+Na"	25.00377
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"377467"	545.110958	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"2M+K"	38.963158
"740581"	798.184858	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"3M+K"	38.963158
"1541537"	292.037058	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+K"	38.963158
"312940"	273.059117	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"2M+H+K"	39.970434
"703903"	399.596067	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"3M+H+K"	39.970434
"1454808"	146.522167	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+H+K"	39.970434
"243408"	548.181626	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"2M+ACN+H"	42.033826
"1225114"	295.107726	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+ACN+H"	42.033826
"1208392"	148.057501	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+ACN+2H"	43.041102
"203940"	551.11896	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"2M+2Na-H"	44.97116
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"1121201"	149.526168	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+2Na"	45.978436
"1405822"	100.019870666667	"C14620"	"2-Acetamido-6H-dibenzobdpyran-6-one"	"C15H11NO3"	"253.0739"	"M+H+2Na"	46.985712
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"443768"	500.284324	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M-2H"	-2.014552
"822665"	166.089924	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-2H"	-2.014552
"81567"	667.381524	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M-H"	-1.007276
"526596"	1001.575924	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M-H"	-1.007276
"907678"	333.187124	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-H"	-1.007276
"57679"	684.408071	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M-2H+NH4"	16.019271
"498334"	1018.602471	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M-2H+NH4"	16.019271
"878446"	350.213671	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-2H+NH4"	16.019271
"40756"	689.363466	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M-2H+Na"	20.974666
"484448"	1023.557866	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M-2H+Na"	20.974666
"853015"	355.169066	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-2H+Na"	20.974666
"1621452"	355.169066	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Na-2H"	20.974666
"95062"	351.175463	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M-H+Cl"	33.962126
"536445"	518.272663	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M-H+Cl"	33.962126
"930690"	184.078263	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-H+Cl"	33.962126
"271435"	703.358202	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+Cl"	34.969402
"666043"	1037.552602	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+Cl"	34.969402
"1276261"	369.163802	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Cl"	34.969402
"18823"	705.337406	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M-2H+K"	36.948606
"457649"	1039.531806	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M-2H+K"	36.948606
"833999"	371.143006	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-2H+K"	36.948606
"1556753"	371.143006	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+K-2H"	36.948606
"947559"	379.192594	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-H+HCOOH"	44.998194
"367962"	713.387001	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+HCOOH-H"	44.998201
"350751"	727.402651	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+Hac-H"	59.013851
"1493021"	393.208251	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Hac-H"	59.013851
"960193"	401.174551	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-H+NaCOOH"	66.980151
"111654"	369.163802	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+2Cl"	69.938804
"556684"	536.261002	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+2Cl"	69.938804
"1026578"	202.066602	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2Cl"	69.938804
"1250531"	413.113285	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Br"	78.918885
"1311885"	415.169272	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Cl+HCOOH"	80.974872
"1327195"	437.151229	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Cl+NaCOOH"	102.956829
"922628"	447.179986	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M-H+CF3COOH"	112.985586
"1291681"	483.156664	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Cl+CF3COOH"	148.962264
"1367777"	299.181724	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H-2H2O"	-35.012676
"1392813"	317.1917	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H-H2O"	-17.0027
"288125"	669.396076	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+H"	1.007276
"678360"	1003.590476	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+H"	1.007276
"1351749"	335.201676	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H"	1.007276
"126379"	335.201676	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+2H"	2.014552
"568252"	502.298876	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+2H"	2.014552
"1040696"	168.104476	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2H"	2.014552
"209328"	223.803542666667	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+3H"	3.021828
"649255"	335.201676	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+3H"	3.021828
"1169201"	112.405409333333	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+3H"	3.021828
"427368"	686.422623	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+NH4"	18.033823
"788363"	1020.617023	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+NH4"	18.033823
"1682016"	352.228223	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+NH4"	18.033823
"330293"	343.7149495	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+H+NH4"	19.041099
"723693"	510.8121495	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+H+NH4"	19.041099
"1477512"	176.6177495	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H+NH4"	19.041099
"393887"	691.378018	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+Na"	22.989218
"754875"	1025.572418	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+Na"	22.989218
"1608815"	357.183618	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Na"	22.989218
"314837"	346.192647	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+H+Na"	23.996494
"711274"	513.289847	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+H+Na"	23.996494
"1464000"	179.095447	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H+Na"	23.996494
"1054327"	119.732723333333	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2H+Na"	25.00377
"1257823"	367.227886	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+CH3OH+H"	33.033486
"377860"	707.351958	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+K"	38.963158
"742878"	1041.546358	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+K"	38.963158
"1542740"	373.157558	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+K"	38.963158
"313658"	354.179617	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+H+K"	39.970434
"704377"	521.276817	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+H+K"	39.970434
"1456011"	187.082417	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H+K"	39.970434
"244611"	710.422626	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+ACN+H"	42.033826
"1218413"	376.228226	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+ACN+H"	42.033826
"1206673"	188.617751	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+ACN+2H"	43.041102
"203440"	713.35996	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+2Na-H"	44.97116
"641291"	1047.55436	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+2Na-H"	44.97116
"1146622"	379.16556	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2Na-H"	44.97116
"187731"	357.183618	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+2Na"	45.978436
"617076"	524.280818	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+2Na"	45.978436
"1120218"	190.086418	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2Na"	45.978436
"1405932"	127.060037333333	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H+2Na"	46.985712
"1443764"	381.207146	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H+HCOOH"	47.012746
"234305"	362.21664	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+3H2O+2H"	56.04448
"1517993"	395.25919	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+IsoProp+H"	61.06479
"416585"	365.170588	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+Na+K"	61.952376
"778676"	532.267788	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+Na+K"	61.952376
"1677925"	198.073388	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Na+K"	61.952376
"261529"	732.404568	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+ACN+Na"	64.015768
"1240321"	398.210168	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+ACN+Na"	64.015768
"1721671"	398.233693	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+NH4+HCOOH"	64.039293
"1189209"	134.387351333333	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+3Na"	68.967654
"1660921"	403.189088	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Na+HCOOH"	68.994688
"164142"	745.30784	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+2K-H"	76.91904
"601515"	1079.50224	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+2K-H"	76.91904
"1088578"	411.11344	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2K-H"	76.91904
"146128"	373.157558	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"2M+2K"	77.926316
"587880"	540.254758	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"3M+2K"	77.926316
"1076765"	206.060358	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2K"	77.926316
"1106694"	413.127992	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2K+H"	78.933592
"1343077"	413.215607	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+DMSO+H"	79.021207
"1015980"	417.254776	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2ACN+H"	83.060376
"1535200"	418.248408	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+IsoProp+Na+H"	84.054008
"998367"	209.131026	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+2ACN+2H"	84.067652
"1593970"	419.163028	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+K+HCOOH"	84.968628
"1422905"	449.194538	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+H+CF3COOH"	115.000138
"1156480"	229.644301	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+3ACN+2H"	125.094202
"1704936"	466.221085	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+NH4+CF3COOH"	132.026685
"1639498"	471.17648	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+Na+CF3COOH"	136.98208
"1580616"	487.15042	"C14621"	"9-Fluoro-17-methyl-11-oxotestosterone;9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-311-dione"	"C20H27FO3"	"334.1944"	"M+K+CF3COOH"	152.95602
"807700"	255.0895	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M"	0
"987794"	236.07111	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-H2O-H"	-19.01839
"73850"	169.052390666667	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M-3H"	-3.021828
"514504"	254.082224	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M-3H"	-3.021828
"889025"	84.0225573333333	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-3H"	-3.021828
"7600"	254.082224	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M-2H"	-2.014552
"443878"	381.626974	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M-2H"	-2.014552
"822774"	126.537474	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-2H"	-2.014552
"81677"	509.171724	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M-H"	-1.007276
"527799"	764.261224	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M-H"	-1.007276
"907788"	254.082224	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-H"	-1.007276
"57789"	526.198271	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M-2H+NH4"	16.019271
"498444"	781.287771	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M-2H+NH4"	16.019271
"878800"	271.108771	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-2H+NH4"	16.019271
"40866"	531.153666	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M-2H+Na"	20.974666
"484800"	786.243166	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M-2H+Na"	20.974666
"853125"	276.064166	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-2H+Na"	20.974666
"1621198"	276.064166	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Na-2H"	20.974666
"95293"	272.070563	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M-H+Cl"	33.962126
"536191"	399.615313	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M-H+Cl"	33.962126
"930070"	144.525813	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-H+Cl"	33.962126
"271545"	545.148402	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+Cl"	34.969402
"663237"	800.237902	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+Cl"	34.969402
"1275641"	290.058902	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Cl"	34.969402
"17833"	547.127606	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M-2H+K"	36.948606
"458487"	802.217106	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M-2H+K"	36.948606
"835196"	292.038106	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-2H+K"	36.948606
"1556860"	292.038106	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+K-2H"	36.948606
"946576"	300.087694	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-H+HCOOH"	44.998194
"368072"	555.177201	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+HCOOH-H"	44.998201
"347581"	569.192851	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+Hac-H"	59.013851
"1493494"	314.103351	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Hac-H"	59.013851
"959693"	322.069651	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-H+NaCOOH"	66.980151
"112856"	290.058902	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+2Cl"	69.938804
"554607"	417.603652	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+2Cl"	69.938804
"1025595"	162.514152	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2Cl"	69.938804
"1251734"	334.008385	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Br"	78.918885
"1310902"	336.064372	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Cl+HCOOH"	80.974872
"1328398"	358.046329	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Cl+NaCOOH"	102.956829
"921645"	368.075086	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M-H+CF3COOH"	112.985586
"1291062"	404.051764	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Cl+CF3COOH"	148.962264
"1369953"	220.076824	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H-2H2O"	-35.012676
"1392923"	238.0868	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H-H2O"	-17.0027
"287142"	511.186276	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+H"	1.007276
"678467"	766.275776	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+H"	1.007276
"1352022"	256.096776	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H"	1.007276
"126247"	256.096776	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+2H"	2.014552
"566903"	383.641526	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+2H"	2.014552
"1040806"	128.552026	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2H"	2.014552
"209802"	171.066942666667	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+3H"	3.021828
"648272"	256.096776	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+3H"	3.021828
"1168218"	86.0371093333333	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+3H"	3.021828
"425169"	528.212823	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+NH4"	18.033823
"787380"	783.302323	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+NH4"	18.033823
"1681355"	273.123323	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+NH4"	18.033823
"331622"	264.6100495	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+H+NH4"	19.041099
"724412"	392.1547995	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+H+NH4"	19.041099
"1478231"	137.0652995	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H+NH4"	19.041099
"394361"	533.168218	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+Na"	22.989218
"755351"	788.257718	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+Na"	22.989218
"1608925"	278.078718	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Na"	22.989218
"315676"	267.087747	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+H+Na"	23.996494
"711384"	394.632497	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+H+Na"	23.996494
"1466297"	139.542997	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H+Na"	23.996494
"1053707"	93.3644233333333	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2H+Na"	25.00377
"1258055"	288.122986	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+CH3OH+H"	33.033486
"377846"	549.142158	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+K"	38.963158
"742988"	804.231658	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+K"	38.963158
"1543944"	294.052658	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+K"	38.963158
"312796"	275.074717	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+H+K"	39.970434
"704123"	402.619467	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+H+K"	39.970434
"1456121"	147.529967	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H+K"	39.970434
"242535"	552.212826	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+ACN+H"	42.033826
"1217430"	297.123326	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+ACN+H"	42.033826
"1206783"	149.065301	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+ACN+2H"	43.041102
"202456"	555.15016	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+2Na-H"	44.97116
"640308"	810.23966	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+2Na-H"	44.97116
"1145277"	300.06066	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2Na-H"	44.97116
"186863"	278.078718	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+2Na"	45.978436
"617187"	405.623468	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+2Na"	45.978436
"1120692"	150.533968	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2Na"	45.978436
"1406042"	100.691737333333	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H+2Na"	46.985712
"1444361"	302.102246	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H+HCOOH"	47.012746
"231865"	283.11174	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+3H2O+2H"	56.04448
"1519196"	316.15429	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+IsoProp+H"	61.06479
"415602"	286.065688	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+Na+K"	61.952376
"779877"	413.610438	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+Na+K"	61.952376
"1675115"	158.520938	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Na+K"	61.952376
"260543"	574.194768	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+ACN+Na"	64.015768
"1239090"	319.105268	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+ACN+Na"	64.015768
"1723235"	319.128793	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+NH4+HCOOH"	64.039293
"1189680"	108.019051333333	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+3Na"	68.967654
"1661758"	324.084188	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Na+HCOOH"	68.994688
"163158"	587.09804	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+2K-H"	76.91904
"602717"	842.18754	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+2K-H"	76.91904
"1087595"	332.00854	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2K-H"	76.91904
"147331"	294.052658	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"2M+2K"	77.926316
"590176"	421.597408	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"3M+2K"	77.926316
"1076875"	166.507908	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2K"	77.926316
"1105710"	334.023092	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2K+H"	78.933592
"1344280"	334.110707	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+DMSO+H"	79.021207
"1013904"	338.149876	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2ACN+H"	83.060376
"1535310"	339.143508	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+IsoProp+Na+H"	84.054008
"998477"	169.578576	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+2ACN+2H"	84.067652
"1592987"	340.058128	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+K+HCOOH"	84.968628
"1423015"	370.089638	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+H+CF3COOH"	115.000138
"1156590"	190.091851	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+3ACN+2H"	125.094202
"1703953"	387.116185	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+NH4+CF3COOH"	132.026685
"1639608"	392.07158	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+Na+CF3COOH"	136.98208
"1580726"	408.04552	"C14622"	"(E)-1-Methoxy-4-2-(4-nitrophenyl)ethenylbenzene;(E)-Methoxy-4-nitrostilbene"	"C15H13NO3"	"255.0895"	"M+K+CF3COOH"	152.95602
"807810"	180.047	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M"	0
"987540"	161.02861	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-H2O-H"	-19.01839
"72867"	119.024057333333	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M-3H"	-3.021828
"514614"	179.039724	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M-3H"	-3.021828
"889135"	59.0083906666667	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-3H"	-3.021828
"7710"	179.039724	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M-2H"	-2.014552
"445081"	269.063224	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M-2H"	-2.014552
"823977"	89.016224	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-2H"	-2.014552
"81787"	359.086724	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M-H"	-1.007276
"524628"	539.133724	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M-H"	-1.007276
"899514"	179.039724	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-H"	-1.007276
"49149"	376.113271	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M-2H+NH4"	16.019271
"498551"	556.160271	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M-2H+NH4"	16.019271
"873073"	196.066271	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-2H+NH4"	16.019271
"40974"	381.068666	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M-2H+Na"	20.974666
"484909"	561.115666	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M-2H+Na"	20.974666
"853235"	201.021666	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-2H+Na"	20.974666
"1620579"	201.021666	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Na-2H"	20.974666
"95036"	197.028063	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M-H+Cl"	33.962126
"536301"	287.051563	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M-H+Cl"	33.962126
"929815"	107.004563	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-H+Cl"	33.962126
"271655"	395.063402	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+Cl"	34.969402
"661523"	575.110402	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+Cl"	34.969402
"1274656"	215.016402	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Cl"	34.969402
"18307"	397.042606	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M-2H+K"	36.948606
"460055"	577.089606	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M-2H+K"	36.948606
"834697"	216.995606	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-2H+K"	36.948606
"1557701"	216.995606	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+K-2H"	36.948606
"943643"	225.045194	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-H+HCOOH"	44.998194
"369275"	405.092201	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+HCOOH-H"	44.998201
"349877"	419.107851	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+Hac-H"	59.013851
"1493362"	239.060851	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Hac-H"	59.013851
"959440"	247.027151	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-H+NaCOOH"	66.980151
"112238"	215.016402	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+2Cl"	69.938804
"551072"	305.039902	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+2Cl"	69.938804
"1025705"	124.992902	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2Cl"	69.938804
"1249658"	258.965885	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Br"	78.918885
"1311012"	261.021872	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Cl+HCOOH"	80.974872
"1327415"	283.003829	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Cl+NaCOOH"	102.956829
"923942"	293.032586	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M-H+CF3COOH"	112.985586
"1291902"	329.009264	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Cl+CF3COOH"	148.962264
"1373343"	145.034324	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H-2H2O"	-35.012676
"1391940"	163.0443	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H-H2O"	-17.0027
"285065"	361.101276	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+H"	1.007276
"676026"	541.148276	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+H"	1.007276
"1353833"	181.054276	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H"	1.007276
"125988"	181.054276	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+2H"	2.014552
"567377"	271.077776	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+2H"	2.014552
"1039823"	91.030776	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2H"	2.014552
"206268"	121.038609333333	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+3H"	3.021828
"647289"	181.054276	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+3H"	3.021828
"1164684"	61.0229426666667	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+3H"	3.021828
"424672"	378.127823	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+NH4"	18.033823
"785910"	558.174823	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+NH4"	18.033823
"1681670"	198.080823	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+NH4"	18.033823
"332097"	189.5675495	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+H+NH4"	19.041099
"723018"	279.5910495	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+H+NH4"	19.041099
"1477853"	99.5440495	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H+NH4"	19.041099
"393255"	383.083218	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+Na"	22.989218
"755460"	563.130218	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+Na"	22.989218
"1605755"	203.036218	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Na"	22.989218
"316150"	192.045247	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+H+Na"	23.996494
"709299"	282.068747	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+H+Na"	23.996494
"1462274"	102.021747	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H+Na"	23.996494
"1053574"	68.3502566666667	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2H+Na"	25.00377
"1260231"	213.080486	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+CH3OH+H"	33.033486
"377429"	399.057158	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+K"	38.963158
"746378"	579.104158	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+K"	38.963158
"1547334"	219.010158	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+K"	38.963158
"311083"	200.032217	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+H+K"	39.970434
"704233"	290.055717	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+H+K"	39.970434
"1455138"	110.008717	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H+K"	39.970434
"247385"	402.127826	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+ACN+H"	42.033826
"1217541"	222.080826	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+ACN+H"	42.033826
"1203612"	111.544051	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+ACN+2H"	43.041102
"203172"	405.06516	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+2Na-H"	44.97116
"640418"	585.11216	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+2Na-H"	44.97116
"1145388"	225.01816	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2Na-H"	44.97116
"186852"	203.036218	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+2Na"	45.978436
"616204"	293.059718	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+2Na"	45.978436
"1118250"	113.012718	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2Na"	45.978436
"1406152"	75.6775706666667	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H+2Na"	46.985712
"1440458"	227.059746	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H+HCOOH"	47.012746
"231975"	208.06924	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+3H2O+2H"	56.04448
"1519306"	241.11179	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+IsoProp+H"	61.06479
"416805"	211.023188	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+Na+K"	61.952376
"777800"	301.046688	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+Na+K"	61.952376
"1676318"	120.999688	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Na+K"	61.952376
"260651"	424.109768	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+ACN+Na"	64.015768
"1237374"	244.062768	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+ACN+Na"	64.015768
"1721158"	244.086293	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+NH4+HCOOH"	64.039293
"1188697"	83.0048846666667	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+3Na"	68.967654
"1659682"	249.041688	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Na+HCOOH"	68.994688
"166545"	437.01304	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+2K-H"	76.91904
"604283"	617.06004	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+2K-H"	76.91904
"1087341"	256.96604	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2K-H"	76.91904
"145255"	219.010158	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"2M+2K"	77.926316
"589193"	309.033658	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"3M+2K"	77.926316
"1072608"	128.986658	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2K"	77.926316
"1104725"	258.980592	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2K+H"	78.933592
"1344390"	259.068207	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+DMSO+H"	79.021207
"1014014"	263.107376	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2ACN+H"	83.060376
"1534327"	264.101008	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+IsoProp+Na+H"	84.054008
"998587"	132.057326	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+2ACN+2H"	84.067652
"1592004"	265.015628	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+K+HCOOH"	84.968628
"1424218"	295.047138	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+H+CF3COOH"	115.000138
"1153420"	152.570601	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+3ACN+2H"	125.094202
"1705156"	312.073685	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+NH4+CF3COOH"	132.026685
"1639718"	317.02908	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+Na+CF3COOH"	136.98208
"1580836"	333.00302	"C14623"	"6-(Ethylthio)purine;6-Ethylmercaptopurine"	"C7H8N4S"	"180.047"	"M+K+CF3COOH"	152.95602
"807921"	404.2927	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M"	0
"987650"	385.27431	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-H2O-H"	-19.01839
"76622"	268.521190666667	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M-3H"	-3.021828
"516912"	403.285424	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M-3H"	-3.021828
"895329"	133.756957333333	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-3H"	-3.021828
"5633"	403.285424	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M-2H"	-2.014552
"446284"	605.431774	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M-2H"	-2.014552
"821901"	201.139074	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-2H"	-2.014552
"87365"	807.578124	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M-H"	-1.007276
"521458"	1211.870824	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M-H"	-1.007276
"899624"	403.285424	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-H"	-1.007276
"48773"	824.604671	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M-2H+NH4"	16.019271
"495383"	1228.897371	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M-2H+NH4"	16.019271
"874278"	420.311971	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-2H+NH4"	16.019271
"41084"	829.560066	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M-2H+Na"	20.974666
"478458"	1233.852766	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M-2H+Na"	20.974666
"857354"	425.267366	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-2H+Na"	20.974666
"1621419"	425.267366	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Na-2H"	20.974666
"95511"	421.273763	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M-H+Cl"	33.962126
"539693"	623.420113	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M-H+Cl"	33.962126
"928346"	219.127413	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-H+Cl"	33.962126
"270673"	843.554802	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+Cl"	34.969402
"663094"	1247.847502	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+Cl"	34.969402
"1275862"	439.262102	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Cl"	34.969402
"18781"	845.534006	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M-2H+K"	36.948606
"459072"	1249.826706	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M-2H+K"	36.948606
"834808"	441.241306	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-2H+K"	36.948606
"1557444"	441.241306	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+K-2H"	36.948606
"944969"	449.290894	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-H+HCOOH"	44.998194
"370478"	853.583601	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+HCOOH-H"	44.998201
"351081"	867.599251	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+Hac-H"	59.013851
"1493594"	463.306551	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Hac-H"	59.013851
"959554"	471.272851	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-H+NaCOOH"	66.980151
"114174"	439.262102	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+2Cl"	69.938804
"555922"	641.408452	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+2Cl"	69.938804
"1025815"	237.115752	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2Cl"	69.938804
"1247580"	483.211585	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Br"	78.918885
"1311122"	485.267572	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Cl+HCOOH"	80.974872
"1329712"	507.249529	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Cl+NaCOOH"	102.956829
"922959"	517.278286	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M-H+CF3COOH"	112.985586
"1296386"	553.254964	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Cl+CF3COOH"	148.962264
"1375640"	369.280024	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H-2H2O"	-35.012676
"1389863"	387.29	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H-H2O"	-17.0027
"285175"	809.592676	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+H"	1.007276
"677594"	1213.885376	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+H"	1.007276
"1352849"	405.299976	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H"	1.007276
"126952"	405.299976	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+2H"	2.014552
"572953"	607.446326	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+2H"	2.014552
"1047218"	203.153626	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2H"	2.014552
"211840"	270.535742666667	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+3H"	3.021828
"645690"	405.299976	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+3H"	3.021828
"1165157"	135.771509333333	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+3H"	3.021828
"425025"	826.619223	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+NH4"	18.033823
"787600"	1230.911923	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+NH4"	18.033823
"1681781"	422.326523	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+NH4"	18.033823
"331842"	413.8132495	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+H+NH4"	19.041099
"723128"	615.9595995	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+H+NH4"	19.041099
"1479908"	211.6668995	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H+NH4"	19.041099
"394581"	831.574618	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+Na"	22.989218
"755574"	1235.867318	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+Na"	22.989218
"1605134"	427.281918	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Na"	22.989218
"316991"	416.290947	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+H+Na"	23.996494
"709045"	618.437297	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+H+Na"	23.996494
"1464328"	214.144597	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H+Na"	23.996494
"1055020"	143.098823333333	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2H+Na"	25.00377
"1259613"	437.326186	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+CH3OH+H"	33.033486
"378072"	847.548558	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+K"	38.963158
"745395"	1251.841258	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+K"	38.963158
"1544166"	443.255858	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+K"	38.963158
"311194"	424.277917	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+H+K"	39.970434
"695959"	626.424267	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+H+K"	39.970434
"1455248"	222.131567	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H+K"	39.970434
"248223"	850.619226	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+ACN+H"	42.033826
"1217651"	446.326526	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+ACN+H"	42.033826
"1202629"	223.666901	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+ACN+2H"	43.041102
"203526"	853.55656	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+2Na-H"	44.97116
"639435"	1257.84926	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+2Na-H"	44.97116
"1140754"	449.26386	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2Na-H"	44.97116
"187325"	427.281918	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+2Na"	45.978436
"621418"	629.428268	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+2Na"	45.978436
"1120550"	225.135568	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2Na"	45.978436
"1400427"	150.426137333333	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H+2Na"	46.985712
"1443848"	451.305446	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H+HCOOH"	47.012746
"230262"	432.31494	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+3H2O+2H"	56.04448
"1516136"	465.35749	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+IsoProp+H"	61.06479
"414728"	435.268888	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+Na+K"	61.952376
"777913"	637.415238	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+Na+K"	61.952376
"1672421"	233.122538	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Na+K"	61.952376
"258577"	872.601168	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+ACN+Na"	64.015768
"1234566"	468.308468	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+ACN+Na"	64.015768
"1724549"	468.331993	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+NH4+HCOOH"	64.039293
"1189897"	157.753451333333	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+3Na"	68.967654
"1659791"	473.287388	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Na+HCOOH"	68.994688
"165559"	885.50444	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+2K-H"	76.91904
"602206"	1289.79714	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+2K-H"	76.91904
"1087450"	481.21174	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2K-H"	76.91904
"145364"	443.255858	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"2M+2K"	77.926316
"591489"	645.402208	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"3M+2K"	77.926316
"1071625"	241.109508	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2K"	77.926316
"1107022"	483.226292	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2K+H"	78.933592
"1345594"	483.313907	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+DMSO+H"	79.021207
"1014124"	487.353076	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2ACN+H"	83.060376
"1535530"	488.346708	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+IsoProp+Na+H"	84.054008
"1000886"	244.180176	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+2ACN+2H"	84.067652
"1599769"	489.261328	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+K+HCOOH"	84.968628
"1422147"	519.292838	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+H+CF3COOH"	115.000138
"1155714"	264.693451	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+3ACN+2H"	125.094202
"1705266"	536.319385	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+NH4+CF3COOH"	132.026685
"1639828"	541.27478	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+Na+CF3COOH"	136.98208
"1580946"	557.24872	"C14624"	"Androstane-317-diol dipropionate;5alpha-Androstane-3alpha17beta-diol dipropionate"	"C25H40O4"	"404.2927"	"M+K+CF3COOH"	152.95602
"808030"	434.2105	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M"	0
"989219"	415.19211	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-H2O-H"	-19.01839
"70899"	288.466390666667	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M-3H"	-3.021828
"518116"	433.203224	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M-3H"	-3.021828
"892635"	143.729557333333	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-3H"	-3.021828
"7930"	433.203224	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M-2H"	-2.014552
"448582"	650.308474	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M-2H"	-2.014552
"823105"	216.097974	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-2H"	-2.014552
"86382"	867.413724	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M-H"	-1.007276
"524848"	1301.624224	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M-H"	-1.007276
"902650"	433.203224	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-H"	-1.007276
"50827"	884.440271	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M-2H+NH4"	16.019271
"496585"	1318.650771	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M-2H+NH4"	16.019271
"875481"	450.229771	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-2H+NH4"	16.019271
"37914"	889.395666	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M-2H+Na"	20.974666
"478568"	1323.606166	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M-2H+Na"	20.974666
"853091"	455.185166	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-2H+Na"	20.974666
"1624809"	455.185166	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Na-2H"	20.974666
"95868"	451.191563	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M-H+Cl"	33.962126
"537251"	668.296813	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M-H+Cl"	33.962126
"933319"	234.086313	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-H+Cl"	33.962126
"274063"	903.390402	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+Cl"	34.969402
"666484"	1337.600902	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+Cl"	34.969402
"1275241"	469.179902	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Cl"	34.969402
"16944"	905.369606	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M-2H+K"	36.948606
"459180"	1339.580106	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M-2H+K"	36.948606
"834438"	471.159106	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-2H+K"	36.948606
"1557194"	471.159106	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+K-2H"	36.948606
"945809"	479.208694	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-H+HCOOH"	44.998194
"362929"	913.419201	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+HCOOH-H"	44.998201
"352284"	927.434851	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+Hac-H"	59.013851
"1493582"	493.224351	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Hac-H"	59.013851
"961363"	501.190651	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-H+NaCOOH"	66.980151
"114284"	469.179902	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+2Cl"	69.938804
"553845"	686.285152	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+2Cl"	69.938804
"1022765"	252.074652	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2Cl"	69.938804
"1248783"	513.129385	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Br"	78.918885
"1312325"	515.185372	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Cl+HCOOH"	80.974872
"1332008"	537.167329	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Cl+NaCOOH"	102.956829
"925256"	547.196086	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M-H+CF3COOH"	112.985586
"1296496"	583.172764	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Cl+CF3COOH"	148.962264
"1375750"	399.197824	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H-2H2O"	-35.012676
"1394347"	417.2078	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H-H2O"	-17.0027
"292939"	869.428276	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+H"	1.007276
"680985"	1303.638776	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+H"	1.007276
"1356241"	435.217776	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H"	1.007276
"132409"	435.217776	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+2H"	2.014552
"575250"	652.323026	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+2H"	2.014552
"1047328"	218.112526	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2H"	2.014552
"211950"	290.480942666667	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+3H"	3.021828
"647140"	435.217776	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+3H"	3.021828
"1170733"	145.744109333333	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+3H"	3.021828
"429629"	886.454823	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+NH4"	18.033823
"791720"	1320.665323	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+NH4"	18.033823
"1685862"	452.244323	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+NH4"	18.033823
"334139"	443.7310495	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+H+NH4"	19.041099
"726563"	660.8362995	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+H+NH4"	19.041099
"1480019"	226.6257995	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H+NH4"	19.041099
"397972"	891.410218	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+Na"	22.989218
"757872"	1325.620718	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+Na"	22.989218
"1607067"	457.199718	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Na"	22.989218
"317830"	446.208747	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+H+Na"	23.996494
"712800"	663.313997	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+H+Na"	23.996494
"1466259"	229.103497	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H+Na"	23.996494
"1058409"	153.071423333333	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2H+Na"	25.00377
"1263734"	467.243986	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+CH3OH+H"	33.033486
"378668"	907.384158	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+K"	38.963158
"746598"	1341.594658	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+K"	38.963158
"1544276"	473.173658	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+K"	38.963158
"312397"	454.195717	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+H+K"	39.970434
"697162"	671.300967	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+H+K"	39.970434
"1455358"	237.090467	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H+K"	39.970434
"246146"	910.454826	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+ACN+H"	42.033826
"1219948"	476.244326	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+ACN+H"	42.033826
"1202739"	238.625801	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+ACN+2H"	43.041102
"202173"	913.39216	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+2Na-H"	44.97116
"638452"	1347.60266	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+2Na-H"	44.97116
"1140864"	479.18166	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2Na-H"	44.97116
"181238"	457.199718	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+2Na"	45.978436
"624808"	674.304968	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+2Na"	45.978436
"1122481"	240.094468	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2Na"	45.978436
"1401266"	160.398737333333	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H+2Na"	46.985712
"1445588"	481.223246	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H+HCOOH"	47.012746
"231466"	462.23274	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+3H2O+2H"	56.04448
"1519526"	495.27529	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+IsoProp+H"	61.06479
"417025"	465.186688	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+Na+K"	61.952376
"778023"	682.291938	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+Na+K"	61.952376
"1675446"	248.081438	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Na+K"	61.952376
"259778"	932.436768	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+ACN+Na"	64.015768
"1233579"	498.226268	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+ACN+Na"	64.015768
"1722469"	498.249793	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+NH4+HCOOH"	64.039293
"1185639"	167.726051333333	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+3Na"	68.967654
"1659905"	503.205188	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Na+HCOOH"	68.994688
"166764"	945.34004	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+2K-H"	76.91904
"603046"	1379.55054	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+2K-H"	76.91904
"1085858"	511.12954	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2K-H"	76.91904
"146567"	473.173658	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"2M+2K"	77.926316
"594878"	690.278908	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"3M+2K"	77.926316
"1071735"	256.068408	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2K"	77.926316
"1107132"	513.144092	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2K+H"	78.933592
"1344610"	513.231707	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+DMSO+H"	79.021207
"1012047"	517.270876	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2ACN+H"	83.060376
"1533453"	518.264508	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+IsoProp+Na+H"	84.054008
"1002088"	259.139076	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+2ACN+2H"	84.067652
"1602069"	519.179128	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+K+HCOOH"	84.968628
"1423350"	549.210638	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+H+CF3COOH"	115.000138
"1155824"	279.652351	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+3ACN+2H"	125.094202
"1706470"	566.237185	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+NH4+CF3COOH"	132.026685
"1645406"	571.19258	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+Na+CF3COOH"	136.98208
"1581056"	587.16652	"C14625"	"9alpha-Fluoro-6alpha-methylprednisolone 21-acetate"	"C24H31FO6"	"434.2105"	"M+K+CF3COOH"	152.95602
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"986413"	360.06701	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-H2O-H"	-19.01839
"67729"	251.716324	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M-3H"	-3.021828
"514945"	378.078124	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M-3H"	-3.021828
"888372"	125.354524	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-3H"	-3.021828
"3666"	378.078124	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M-2H"	-2.014552
"444317"	567.620824	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M-2H"	-2.014552
"821026"	188.535424	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-2H"	-2.014552
"86492"	757.163524	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M-H"	-1.007276
"522771"	1136.248924	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M-H"	-1.007276
"900208"	378.078124	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-H"	-1.007276
"50573"	774.190071	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M-2H+NH4"	16.019271
"496695"	1153.275471	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M-2H+NH4"	16.019271
"874498"	395.104671	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-2H+NH4"	16.019271
"38024"	779.145466	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M-2H+Na"	20.974666
"479771"	1158.230866	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M-2H+Na"	20.974666
"853200"	400.060066	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-2H+Na"	20.974666
"1620544"	400.060066	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Na-2H"	20.974666
"95249"	396.066463	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M-H+Cl"	33.962126
"535540"	585.609163	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M-H+Cl"	33.962126
"929056"	206.523763	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-H+Cl"	33.962126
"270894"	793.140202	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+Cl"	34.969402
"665501"	1172.225602	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+Cl"	34.969402
"1274621"	414.054802	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Cl"	34.969402
"17542"	795.119406	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M-2H+K"	36.948606
"456737"	1174.204806	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M-2H+K"	36.948606
"836736"	416.034006	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-2H+K"	36.948606
"1555965"	416.034006	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+K-2H"	36.948606
"943733"	424.083594	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-H+HCOOH"	44.998194
"361483"	803.169001	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+HCOOH-H"	44.998201
"351301"	817.184651	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+Hac-H"	59.013851
"1492820"	438.099251	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Hac-H"	59.013851
"960381"	446.065551	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-H+NaCOOH"	66.980151
"114394"	414.054802	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+2Cl"	69.938804
"553955"	603.597502	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+2Cl"	69.938804
"1024940"	224.512102	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2Cl"	69.938804
"1247800"	458.004285	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Br"	78.918885
"1312435"	460.060272	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Cl+HCOOH"	80.974872
"1328838"	482.042229	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Cl+NaCOOH"	102.956829
"925366"	492.070986	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M-H+CF3COOH"	112.985586
"1298793"	528.047664	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Cl+CF3COOH"	148.962264
"1374767"	344.072724	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H-2H2O"	-35.012676
"1387897"	362.0827	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H-H2O"	-17.0027
"284302"	759.178076	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+H"	1.007276
"681095"	1138.263476	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+H"	1.007276
"1356348"	380.092676	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H"	1.007276
"132520"	380.092676	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+2H"	2.014552
"575360"	569.635376	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+2H"	2.014552
"1044158"	190.549976	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2H"	2.014552
"212060"	253.730876	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+3H"	3.021828
"645429"	380.092676	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+3H"	3.021828
"1166832"	127.369076	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+3H"	3.021828
"427555"	776.204623	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+NH4"	18.033823
"790736"	1155.290023	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+NH4"	18.033823
"1684877"	397.119223	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+NH4"	18.033823
"333155"	388.6059495	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+H+NH4"	19.041099
"724484"	578.1486495	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+H+NH4"	19.041099
"1478302"	199.0632495	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H+NH4"	19.041099
"396984"	781.160018	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+Na"	22.989218
"756886"	1160.245418	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+Na"	22.989218
"1604988"	402.074618	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Na"	22.989218
"316482"	391.083647	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+H+Na"	23.996494
"709632"	580.626347	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+H+Na"	23.996494
"1463090"	201.540947	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H+Na"	23.996494
"1054511"	134.69639	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2H+Na"	25.00377
"1263843"	412.118886	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+CH3OH+H"	33.033486
"380234"	797.133958	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+K"	38.963158
"743428"	1176.219358	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+K"	38.963158
"1544386"	418.048558	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+K"	38.963158
"311414"	399.070617	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+H+K"	39.970434
"700552"	588.613317	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+H+K"	39.970434
"1455468"	209.527917	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H+K"	39.970434
"246256"	800.204626	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+ACN+H"	42.033826
"1220058"	421.119226	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+ACN+H"	42.033826
"1202849"	211.063251	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+ACN+2H"	43.041102
"202283"	803.14196	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+2Na-H"	44.97116
"638561"	1182.22736	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+2Na-H"	44.97116
"1140974"	424.05656	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2Na-H"	44.97116
"180984"	402.074618	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+2Na"	45.978436
"624918"	591.617318	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+2Na"	45.978436
"1121134"	212.531918	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2Na"	45.978436
"1402469"	142.023704	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H+2Na"	46.985712
"1444070"	426.098146	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H+HCOOH"	47.012746
"231576"	407.10764	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+3H2O+2H"	56.04448
"1518543"	440.15019	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+IsoProp+H"	61.06479
"417135"	410.061588	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+Na+K"	61.952376
"778133"	599.604288	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+Na+K"	61.952376
"1674463"	220.518888	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Na+K"	61.952376
"257701"	822.186568	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+ACN+Na"	64.015768
"1232596"	443.101168	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+ACN+Na"	64.015768
"1720393"	443.124693	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+NH4+HCOOH"	64.039293
"1186842"	149.351018	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+3Na"	68.967654
"1656735"	448.080088	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Na+HCOOH"	68.994688
"166873"	835.08984	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+2K-H"	76.91904
"605339"	1214.17524	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+2K-H"	76.91904
"1087669"	456.00444	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2K-H"	76.91904
"145578"	418.048558	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"2M+2K"	77.926316
"582708"	607.591258	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"3M+2K"	77.926316
"1071840"	228.505858	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2K"	77.926316
"1103962"	458.018992	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2K+H"	78.933592
"1343627"	458.106607	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+DMSO+H"	79.021207
"1012157"	462.145776	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2ACN+H"	83.060376
"1533563"	463.139408	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+IsoProp+Na+H"	84.054008
"1002198"	231.576526	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+2ACN+2H"	84.067652
"1598896"	464.054028	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+K+HCOOH"	84.968628
"1426739"	494.085538	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+H+CF3COOH"	115.000138
"1153746"	252.089801	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+3ACN+2H"	125.094202
"1705486"	511.112085	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+NH4+CF3COOH"	132.026685
"1645516"	516.06748	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+Na+CF3COOH"	136.98208
"1581166"	532.04142	"C14626"	"2-Carboxy-4-bis(2-chloroethyl)amino-2-methylazobenzene;Azo-mustard;CB 1414"	"C18H19Cl2N3O2"	"379.0854"	"M+K+CF3COOH"	152.95602
"808250"	304.2038	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M"	0
"988344"	285.18541	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"67839"	201.795257333333	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"517367"	303.196524	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"892855"	100.393990666667	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"3776"	303.196524	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"444427"	455.298424	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"820771"	151.094624	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"86602"	607.400324	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"523974"	911.604124	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"900683"	303.196524	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"51047"	624.426871	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"495712"	928.630671	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"873514"	320.223071	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"41414"	629.382266	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"478787"	933.586066	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"853310"	325.178466	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1619559"	325.178466	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"95722"	321.184863	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"538930"	473.286763	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"931716"	169.082963	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"272097"	643.377002	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"665975"	947.580802	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1274730"	339.173202	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"16921"	645.356206	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"459034"	949.560006	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"834047"	341.152406	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1556318"	341.152406	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"944198"	349.201994	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"363513"	653.405801	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"346019"	667.421451	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1493677"	363.217651	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"960122"	371.183951	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"111341"	339.173202	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"555157"	491.275102	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1026142"	187.071302	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1246817"	383.122685	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1313638"	385.178672	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1328948"	407.160629	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"923287"	417.189386	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1298902"	453.166064	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1378157"	269.191124	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1389100"	287.2011	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"285505"	609.414876	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"682299"	913.618676	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1357552"	305.211076	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"131537"	305.211076	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"574375"	457.312976	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1043175"	153.109176	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"212170"	203.809809333333	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"646265"	305.211076	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1165849"	102.408542666667	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"426934"	626.441423	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"789750"	930.645223	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1686449"	322.237623	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"336551"	313.7243495	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"729700"	465.8262495	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1483885"	161.6224495	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"401471"	631.396818	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"760278"	935.600618	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1606919"	327.193018	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"319507"	316.202047	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"711930"	468.303947	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1466842"	164.100147	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1058995"	109.735856666667	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1265047"	337.237286	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"382530"	647.370758	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"742432"	951.574558	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1541572"	343.166958	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"311889"	324.189017	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"700662"	476.290917	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1455578"	172.087117	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"246366"	650.441426	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1220168"	346.237626	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1202595"	173.622451	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"202758"	653.37876	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"639764"	957.58256	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1141813"	349.17496	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"181094"	327.193018	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"618831"	479.294918	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1122337"	175.091118	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1402944"	117.063170666667	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1444181"	351.216546	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"230595"	332.22604	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1518653"	365.26859	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"417245"	335.179988	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"780429"	487.281888	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1675666"	183.078088	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"258904"	672.423368	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1227239"	368.219568	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1720139"	368.243093	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1185859"	124.390484666667	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1659761"	373.198488	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"164796"	685.32664	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"601075"	989.53044	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1086686"	381.12284	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"142650"	343.166958	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"583305"	495.268858	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1071949"	191.065058	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1105165"	383.137392	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1343737"	383.225007	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1012267"	387.264176	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1531486"	388.257808	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"1005228"	194.135726	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1599006"	389.172428	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1427942"	419.203938	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
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"1646719"	441.18588	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1581276"	457.15982	"C14627"	"14alpha17beta-Dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
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"987369"	299.20111	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"73417"	211.139057333333	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"516259"	317.212224	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"893333"	105.065890666667	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"8261"	317.212224	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"443447"	476.321974	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"823437"	158.102474	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"89995"	635.431724	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"527368"	953.651224	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"902981"	317.212224	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"54077"	652.458271	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"496919"	970.677771	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
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"477806"	975.633166	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
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"537950"	494.310313	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"930370"	176.090813	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"272933"	671.408402	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"665721"	989.627902	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1274842"	353.188902	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"19592"	673.387606	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"456963"	991.607106	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"833913"	355.168106	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1556148"	355.168106	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"943703"	363.217694	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"361554"	681.437201	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"346171"	695.452851	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1495978"	377.233351	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"959508"	385.199651	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"111330"	353.188902	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"553081"	512.298652	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1029536"	194.079152	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1250207"	397.138385	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1312655"	399.194372	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1334405"	421.176329	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"926439"	431.205086	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1300108"	467.181764	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1380455"	283.206824	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1392489"	301.2168	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"285614"	637.446276	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"682409"	955.665776	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1363132"	319.226776	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"136021"	319.226776	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"574487"	478.336526	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1052034"	160.117026	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"213374"	213.153609333333	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"646376"	319.226776	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1165594"	107.080442666667	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"426680"	654.472823	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"789495"	972.692323	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1685099"	336.253323	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"336660"	327.7400495	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"730539"	486.8497995	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1485089"	168.6302995	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"403766"	659.428218	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"760022"	977.647718	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1606664"	341.208718	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"317794"	330.217747	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"712401"	489.327497	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1468044"	171.107997	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1061292"	114.407756666667	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1267344"	351.252986	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"380819"	675.402158	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"743637"	993.621658	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1541320"	357.182658	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"313094"	338.204717	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"700772"	497.314467	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1457512"	179.094967	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"245383"	678.472826	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1219914"	360.253326	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1201246"	180.630301	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"202869"	681.41016	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"638780"	999.62966	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1141923"	363.19066	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"181204"	341.208718	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"618941"	500.318468	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1122447"	182.098968	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1403054"	121.735070666667	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1434441"	365.232246	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"228516"	346.24174	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1512201"	379.28429	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"415168"	349.195688	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"777260"	508.305438	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1674683"	190.085938	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"256827"	700.454768	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1227348"	382.235268	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1719885"	382.258793	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1186334"	129.062384666667	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1658048"	387.214188	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"161261"	713.35804	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"600092"	1031.57754	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1086796"	395.13854	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"142639"	357.182658	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"582191"	516.292408	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1069992"	198.072908	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1105275"	397.153092	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1338376"	397.240707	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1017483"	401.279876	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1534877"	402.273508	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"994763"	201.143576	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1599116"	403.188128	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1425868"	433.219638	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1159436"	221.656851	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1702430"	450.246185	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1641361"	455.20158	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1581386"	471.17552	"C14628"	"45alpha-Dihydro-2-(hydroxymethylene)testosterone;17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"808470"	418.2156	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M"	0
"989801"	399.19721	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-H2O-H"	-19.01839
"73527"	277.803124	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M-3H"	-3.021828
"515275"	417.208324	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M-3H"	-3.021828
"893077"	138.397924	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-3H"	-3.021828
"6184"	417.208324	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M-2H"	-2.014552
"445743"	626.316124	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M-2H"	-2.014552
"823546"	208.100524	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-2H"	-2.014552
"87918"	835.423924	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M-H"	-1.007276
"525288"	1253.639524	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M-H"	-1.007276
"905277"	417.208324	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-H"	-1.007276
"56374"	852.450471	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M-2H+NH4"	16.019271
"493381"	1270.666071	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M-2H+NH4"	16.019271
"874830"	434.234871	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-2H+NH4"	16.019271
"41637"	857.405866	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M-2H+Na"	20.974666
"479009"	1275.621466	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M-2H+Na"	20.974666
"852071"	439.190266	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-2H+Na"	20.974666
"1620877"	439.190266	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Na-2H"	20.974666
"97766"	435.196663	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M-H+Cl"	33.962126
"538784"	644.304463	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M-H+Cl"	33.962126
"933759"	226.088863	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-H+Cl"	33.962126
"273409"	871.400602	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+Cl"	34.969402
"668018"	1289.616202	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+Cl"	34.969402
"1275075"	453.185002	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Cl"	34.969402
"20796"	873.379806	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M-2H+K"	36.948606
"458530"	1291.595406	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M-2H+K"	36.948606
"835972"	455.164206	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-2H+K"	36.948606
"1556297"	455.164206	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+K-2H"	36.948606
"943209"	463.213794	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-H+HCOOH"	44.998194
"363004"	881.429401	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+HCOOH-H"	44.998201
"346887"	895.445051	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+Hac-H"	59.013851
"1494995"	477.229451	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Hac-H"	59.013851
"962534"	485.195751	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-H+NaCOOH"	66.980151
"112535"	453.185002	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+2Cl"	69.938804
"556472"	662.292802	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+2Cl"	69.938804
"1029646"	244.077202	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2Cl"	69.938804
"1250319"	497.134485	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Br"	78.918885
"1316047"	499.190472	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Cl+HCOOH"	80.974872
"1335249"	521.172429	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Cl+NaCOOH"	102.956829
"923147"	531.201186	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M-H+CF3COOH"	112.985586
"1302650"	567.177864	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Cl+CF3COOH"	148.962264
"1381538"	383.202924	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H-2H2O"	-35.012676
"1390411"	401.2129	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H-H2O"	-17.0027
"292283"	837.438476	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+H"	1.007276
"683614"	1255.654076	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+H"	1.007276
"1359962"	419.222876	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H"	1.007276
"135038"	419.222876	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+2H"	2.014552
"578608"	628.330676	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+2H"	2.014552
"1051051"	210.115076	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2H"	2.014552
"213485"	279.817676	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+3H"	3.021828
"646486"	419.222876	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+3H"	3.021828
"1165703"	140.412476	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+3H"	3.021828
"428249"	854.465023	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+NH4"	18.033823
"789606"	1272.680623	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+NH4"	18.033823
"1685574"	436.249423	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+NH4"	18.033823
"337861"	427.7361495	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+H+NH4"	19.041099
"732469"	636.8439495	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+H+NH4"	19.041099
"1484105"	218.6283495	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H+NH4"	19.041099
"402785"	859.420418	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+Na"	22.989218
"767792"	1277.636018	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+Na"	22.989218
"1615891"	441.204818	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Na"	22.989218
"326289"	430.213847	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+H+Na"	23.996494
"721868"	639.321647	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+H+Na"	23.996494
"1473624"	221.106047	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H+Na"	23.996494
"1064684"	147.73979	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2H+Na"	25.00377
"1265269"	451.249086	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+CH3OH+H"	33.033486
"384937"	875.394358	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+K"	38.963158
"747027"	1293.609958	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+K"	38.963158
"1545805"	457.178758	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+K"	38.963158
"301894"	438.200817	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+H+K"	39.970434
"694316"	647.308617	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+H+K"	39.970434
"1458715"	229.093017	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H+K"	39.970434
"248773"	878.465026	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+ACN+H"	42.033826
"1222939"	460.249426	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+ACN+H"	42.033826
"1205364"	230.628351	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+ACN+2H"	43.041102
"200791"	881.40236	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+2Na-H"	44.97116
"638889"	1299.61796	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+2Na-H"	44.97116
"1142397"	463.18676	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2Na-H"	44.97116
"181314"	441.204818	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+2Na"	45.978436
"621967"	650.312618	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+2Na"	45.978436
"1122193"	232.097018	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2Na"	45.978436
"1404622"	155.067104	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H+2Na"	46.985712
"1434917"	465.228346	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H+HCOOH"	47.012746
"229719"	446.23784	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+3H2O+2H"	56.04448
"1513404"	479.28039	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+IsoProp+H"	61.06479
"416371"	449.191788	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+Na+K"	61.952376
"778463"	658.299588	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+Na+K"	61.952376
"1673700"	240.083988	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Na+K"	61.952376
"259124"	900.446968	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+ACN+Na"	64.015768
"1230009"	482.231368	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+ACN+Na"	64.015768
"1719629"	482.254893	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+NH4+HCOOH"	64.039293
"1186078"	162.394418	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+3Na"	68.967654
"1653416"	487.210288	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Na+HCOOH"	68.994688
"162098"	913.35024	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+2K-H"	76.91904
"600565"	1331.56584	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+2K-H"	76.91904
"1087999"	495.13464	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2K-H"	76.91904
"142749"	457.178758	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"2M+2K"	77.926316
"583032"	666.286558	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"3M+2K"	77.926316
"1069249"	248.070958	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2K"	77.926316
"1104292"	497.149192	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2K+H"	78.933592
"1338486"	497.236807	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+DMSO+H"	79.021207
"1013581"	501.275976	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2ACN+H"	83.060376
"1528426"	502.269608	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+IsoProp+Na+H"	84.054008
"992686"	251.141626	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+2ACN+2H"	84.067652
"1600319"	503.184228	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+K+HCOOH"	84.968628
"1425978"	533.215738	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+H+CF3COOH"	115.000138
"1159546"	271.654901	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+3ACN+2H"	125.094202
"1702540"	550.242285	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+NH4+CF3COOH"	132.026685
"1641471"	555.19768	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+Na+CF3COOH"	136.98208
"1581496"	571.17162	"C14629"	"Fluorometholone 17-acetate;9-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione 17-acetate;6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone"	"C24H31FO5"	"418.2156"	"M+K+CF3COOH"	152.95602
"808580"	362.2257	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M"	0
"988312"	343.20731	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"73637"	240.476524	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"516844"	361.218424	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"892094"	119.734624	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"5201"	361.218424	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"442574"	542.331274	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"820741"	180.105574	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"91308"	723.444124	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"523212"	1085.669824	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"904294"	361.218424	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"56484"	740.470671	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"491670"	1102.696371	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"874940"	378.244971	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"42843"	745.426066	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"479119"	1107.651766	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"850724"	383.200366	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1621350"	383.200366	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"97510"	379.206763	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"538164"	560.319613	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"933869"	198.093913	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"275705"	759.420802	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"667035"	1121.646502	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1274337"	397.195102	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"17987"	761.400006	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"459369"	1123.625706	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"834988"	399.174306	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1556771"	399.174306	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"943439"	407.223894	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"361778"	769.449601	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"346632"	783.465251	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1493766"	421.239551	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"961551"	429.205851	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"112645"	397.195102	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"556582"	578.307952	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1033036"	216.082252	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1253709"	441.144585	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1315063"	443.200572	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1334021"	465.182529	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"925445"	475.211286	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1303244"	511.187964	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1380675"	327.213024	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1390522"	345.223	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"291300"	725.458676	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"683724"	1087.684376	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1363353"	363.232976	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"134055"	363.232976	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"579811"	544.345826	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1050919"	182.120126	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"214688"	242.491076	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"648055"	363.232976	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1166908"	121.749176	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"429087"	742.485223	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"787893"	1104.710923	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1683858"	380.259523	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"332502"	371.7462495	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"729663"	552.8590995	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1482754"	190.6333995	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"401801"	747.440618	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"764983"	1109.666318	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1613085"	385.214918	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"326399"	374.223947	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"720522"	555.336797	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1471547"	193.111097	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1061513"	129.07649	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1264286"	395.259186	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"386141"	763.414558	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"744949"	1125.640258	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1541540"	401.188858	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"302004"	382.210917	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"693332"	563.323767	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1457731"	201.098067	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"246696"	766.485226	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1222684"	404.259526	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1204381"	202.633401	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"199079"	769.42256	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"635720"	1131.64826	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1139227"	407.19686	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"181424"	385.214918	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"622077"	566.327768	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1121210"	204.102068	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1403639"	136.403804	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1432841"	409.238446	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"228736"	390.24794	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1512420"	423.29049	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"414295"	393.201888	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"775294"	574.314738	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1669802"	212.089038	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"258141"	788.467168	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1229754"	426.241468	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1718646"	426.264993	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1186187"	143.731118	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1653888"	431.220388	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"159292"	801.37044	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"599581"	1163.59614	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1088109"	439.14474	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"142128"	401.188858	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"582657"	582.301708	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1068872"	220.076008	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1105495"	441.159292	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1339689"	441.246907	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1012598"	445.286076	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1530722"	446.279708	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"992795"	223.146676	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1590579"	447.194328	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1424995"	477.225838	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1158563"	243.659951	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1705930"	494.252385	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1640488"	499.20778	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1581606"	515.18172	"C14630"	"9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"808690"	290.2246	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M"	0
"989273"	271.20621	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"72654"	192.475790666667	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"516589"	289.217324	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"894391"	95.7342573333333	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"5311"	289.217324	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"442684"	434.329624	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"820487"	144.105024	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"81577"	579.441924	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"521499"	869.666524	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"902217"	289.217324	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"54407"	596.468471	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"490685"	886.693071	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"872863"	306.243871	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"40764"	601.423866	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"476677"	891.648466	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"849735"	311.199266	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1620365"	311.199266	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"96527"	307.205663	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"537912"	452.317963	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"930333"	162.093363	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"272535"	615.418602	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"666051"	905.643202	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1275177"	325.194002	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"19920"	617.397806	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"460573"	907.622406	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"836192"	327.173206	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1558585"	327.173206	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"945373"	335.222794	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"363953"	625.447401	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"347594"	639.463051	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1495215"	349.238451	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"959477"	357.204751	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"116038"	325.194002	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"557786"	470.306302	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1034242"	180.081702	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1252727"	369.143485	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1317361"	371.199472	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1333765"	393.181429	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"926287"	403.210186	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1302994"	439.186864	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1381152"	255.211924	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1392818"	273.2219	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"292503"	581.456476	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"686020"	871.681076	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1364556"	291.231876	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"135257"	291.231876	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"579921"	436.344176	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1050666"	146.119576	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"216985"	194.490342666667	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"647072"	291.231876	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1169570"	97.7488093333333	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"428104"	598.483023	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"789463"	888.707623	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1684334"	308.258423	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"336259"	299.7451495	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"732690"	444.8574495	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1483229"	154.6328495	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"401913"	603.438418	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"764731"	893.663018	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1615016"	313.213818	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"326997"	302.222847	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"720023"	447.335147	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1474937"	157.110547	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1059437"	105.076123333333	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1264395"	323.258086	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"386251"	619.412358	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"745059"	909.636958	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1547112"	329.187758	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"300285"	310.209817	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"698910"	455.322117	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1458935"	165.097517	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"246806"	622.483026	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1220608"	332.258426	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1203399"	166.632851	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"198825"	625.42036	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"639110"	915.64496	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1142617"	335.19576	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"185545"	313.213818	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"625467"	458.326118	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1125695"	168.101518	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1403750"	112.403437333333	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1434771"	337.237346	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"228846"	318.24684	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1513623"	351.28939	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"418781"	321.200788	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"777591"	466.313088	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1669548"	176.088488	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"258251"	644.464968	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1231687"	354.240368	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1718756"	354.263893	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1184839"	119.730751333333	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1653634"	359.219288	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"160495"	657.36824	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"599691"	947.59284	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1089304"	367.14364	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"141830"	329.187758	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"583860"	474.300058	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1068698"	184.075458	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1103416"	369.158192	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1338706"	369.245807	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1012708"	373.284976	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1530832"	374.278608	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"992176"	187.146126	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1590688"	375.193228	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1426926"	405.224738	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1157579"	207.659401	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1706040"	422.251285	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1641691"	427.20668	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1581716"	443.18062	"C14631"	"5-Androstene-3beta16alpha-diol;3beta16alpha-Dihydroxy-5-androstene;Cetadiol"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"808800"	342.2195	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M"	0
"989140"	323.20111	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-H2O-H"	-19.01839
"72764"	227.139057333333	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M-3H"	-3.021828
"517793"	341.212224	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M-3H"	-3.021828
"889033"	113.065890666667	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-3H"	-3.021828
"5421"	341.212224	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M-2H"	-2.014552
"442794"	512.321974	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M-2H"	-2.014552
"820961"	170.102474	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-2H"	-2.014552
"82780"	683.431724	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M-H"	-1.007276
"521245"	1025.651224	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M-H"	-1.007276
"898316"	341.212224	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-H"	-1.007276
"53424"	700.458271	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M-2H+NH4"	16.019271
"490431"	1042.677771	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M-2H+NH4"	16.019271
"872974"	358.238771	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-2H+NH4"	16.019271
"38690"	705.413666	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M-2H+Na"	20.974666
"479341"	1047.633166	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M-2H+Na"	20.974666
"850576"	363.194166	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-2H+Na"	20.974666
"1621203"	363.194166	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Na-2H"	20.974666
"95545"	359.200563	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M-H+Cl"	33.962126
"535833"	530.310313	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M-H+Cl"	33.962126
"928985"	188.090813	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-H+Cl"	33.962126
"270457"	719.408402	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+Cl"	34.969402
"665068"	1061.627902	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+Cl"	34.969402
"1273827"	377.188902	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Cl"	34.969402
"17113"	721.387606	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M-2H+K"	36.948606
"457039"	1063.607106	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M-2H+K"	36.948606
"835209"	379.168106	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-2H+K"	36.948606
"1557602"	379.168106	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+K-2H"	36.948606
"943782"	387.217694	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-H+HCOOH"	44.998194
"361875"	729.437201	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+HCOOH-H"	44.998201
"348679"	743.452851	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+Hac-H"	59.013851
"1496417"	401.233351	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Hac-H"	59.013851
"965055"	409.199651	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-H+NaCOOH"	66.980151
"116148"	377.188902	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+2Cl"	69.938804
"557897"	548.298652	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+2Cl"	69.938804
"1034351"	206.079152	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2Cl"	69.938804
"1250647"	421.138385	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Br"	78.918885
"1314189"	423.194372	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Cl+HCOOH"	80.974872
"1330595"	445.176329	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Cl+NaCOOH"	102.956829
"924938"	455.205086	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M-H+CF3COOH"	112.985586
"1301648"	491.181764	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Cl+CF3COOH"	148.962264
"1382438"	307.206824	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H-2H2O"	-35.012676
"1397302"	325.2168	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H-H2O"	-17.0027
"291520"	685.446276	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+H"	1.007276
"685037"	1027.665776	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+H"	1.007276
"1359197"	343.226776	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H"	1.007276
"130265"	343.226776	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+2H"	2.014552
"578208"	514.336526	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+2H"	2.014552
"1049195"	172.117026	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2H"	2.014552
"216002"	229.153609333333	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+3H"	3.021828
"648275"	343.226776	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+3H"	3.021828
"1170044"	115.080442666667	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+3H"	3.021828
"427120"	702.472823	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+NH4"	18.033823
"788113"	1044.692323	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+NH4"	18.033823
"1685175"	360.253323	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+NH4"	18.033823
"335278"	351.7400495	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+H+NH4"	19.041099
"730614"	522.8497995	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+H+NH4"	19.041099
"1482246"	180.6302995	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H+NH4"	19.041099
"397646"	707.428218	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+Na"	22.989218
"764109"	1049.647718	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+Na"	22.989218
"1613302"	365.208718	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Na"	22.989218
"325525"	354.217747	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+H+Na"	23.996494
"720133"	525.327497	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+H+Na"	23.996494
"1470672"	183.107997	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H+Na"	23.996494
"1058453"	122.407756666667	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2H+Na"	25.00377
"1263411"	375.252986	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+CH3OH+H"	33.033486
"384175"	723.402158	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+K"	38.963158
"748448"	1065.621658	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+K"	38.963158
"1548316"	381.182658	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+K"	38.963158
"300032"	362.204717	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+H+K"	39.970434
"697927"	533.314467	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+H+K"	39.970434
"1457953"	191.094967	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H+K"	39.970434
"245459"	726.472826	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+ACN+H"	42.033826
"1220720"	384.253326	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+ACN+H"	42.033826
"1202417"	192.630301	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+ACN+2H"	43.041102
"199300"	729.41016	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+2Na-H"	44.97116
"635942"	1071.62966	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+2Na-H"	44.97116
"1137259"	387.19066	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2Na-H"	44.97116
"181643"	365.208718	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+2Na"	45.978436
"622297"	536.318468	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+2Na"	45.978436
"1122522"	194.098968	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2Na"	45.978436
"1402768"	129.735070666667	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H+2Na"	46.985712
"1432695"	389.232246	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H+HCOOH"	47.012746
"228956"	370.24174	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+3H2O+2H"	56.04448
"1512641"	403.28429	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+IsoProp+H"	61.06479
"418891"	373.195688	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+Na+K"	61.952376
"774421"	544.305438	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+Na+K"	61.952376
"1667472"	202.085938	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Na+K"	61.952376
"257270"	748.454768	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+ACN+Na"	64.015768
"1233258"	406.235268	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+ACN+Na"	64.015768
"1719959"	406.258793	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+NH4+HCOOH"	64.039293
"1184220"	137.062384666667	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+3Na"	68.967654
"1653746"	411.214188	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Na+HCOOH"	68.994688
"158784"	761.35804	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+2K-H"	76.91904
"598344"	1103.57754	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+2K-H"	76.91904
"1090871"	419.13854	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2K-H"	76.91904
"141864"	381.182658	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"2M+2K"	77.926316
"582028"	552.292408	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"3M+2K"	77.926316
"1072498"	210.072908	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2K"	77.926316
"1103526"	421.153092	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2K+H"	78.933592
"1339909"	421.240707	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+DMSO+H"	79.021207
"1011725"	425.279876	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2ACN+H"	83.060376
"1529849"	426.273508	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+IsoProp+Na+H"	84.054008
"998484"	213.143576	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+2ACN+2H"	84.067652
"1589706"	427.188128	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+K+HCOOH"	84.968628
"1427401"	457.219638	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+H+CF3COOH"	115.000138
"1158782"	233.656851	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+3ACN+2H"	125.094202
"1712343"	474.246185	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+NH4+CF3COOH"	132.026685
"1640708"	479.20158	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+Na+CF3COOH"	136.98208
"1581826"	495.17552	"C14632"	"6alpha-Methylpregn-4-ene-31120-trione;6alpha-Methyl-11-oxoprogesterone;SKI22936"	"C22H30O3"	"342.2195"	"M+K+CF3COOH"	152.95602
"808910"	239.0946	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M"	0
"989563"	220.07621	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-H2O-H"	-19.01839
"70687"	158.389124	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M-3H"	-3.021828
"512436"	238.087324	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M-3H"	-3.021828
"889143"	78.690924	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-3H"	-3.021828
"5531"	238.087324	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H"	-2.014552
"441811"	357.634624	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H"	-2.014552
"820707"	118.540024	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H"	-2.014552
"83983"	477.181924	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M-H"	-1.007276
"521355"	716.276524	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M-H"	-1.007276
"898426"	238.087324	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-H"	-1.007276
"53534"	494.208471	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+NH4"	16.019271
"491999"	733.303071	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+NH4"	16.019271
"869802"	255.113871	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+NH4"	16.019271
"40619"	499.163866	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+Na"	20.974666
"480544"	738.258466	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+Na"	20.974666
"850687"	260.069266	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+Na"	20.974666
"1621313"	260.069266	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na-2H"	20.974666
"96749"	256.075663	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M-H+Cl"	33.962126
"535579"	375.622963	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M-H+Cl"	33.962126
"929093"	136.528363	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+Cl"	33.962126
"270932"	513.158602	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Cl"	34.969402
"665178"	752.253202	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Cl"	34.969402
"1274301"	274.064002	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl"	34.969402
"16981"	515.137806	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+K"	36.948606
"457635"	754.232406	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+K"	36.948606
"836411"	276.043206	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+K"	36.948606
"1557712"	276.043206	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+K-2H"	36.948606
"944498"	284.092794	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+HCOOH"	44.998194
"361986"	523.187401	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+HCOOH-H"	44.998201
"346723"	537.203051	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Hac-H"	59.013851
"1493243"	298.108451	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Hac-H"	59.013851
"960426"	306.074751	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+NaCOOH"	66.980151
"117351"	274.064002	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Cl"	69.938804
"555819"	393.611302	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Cl"	69.938804
"1033367"	154.516702	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Cl"	69.938804
"1248570"	318.013485	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Br"	78.918885
"1314299"	320.069472	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+HCOOH"	80.974872
"1332891"	342.051429	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+NaCOOH"	102.956829
"925046"	352.080186	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+CF3COOH"	112.985586
"1302483"	388.056864	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+CF3COOH"	148.962264
"1378818"	204.081924	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H-2H2O"	-35.012676
"1396682"	222.0919	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H-H2O"	-17.0027
"288350"	479.196476	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H"	1.007276
"681867"	718.291076	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H"	1.007276
"1360401"	240.101876	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H"	1.007276
"136571"	240.101876	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2H"	2.014552
"576131"	359.649176	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2H"	2.014552
"1051128"	120.554576	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2H"	2.014552
"215019"	160.403676	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+3H"	3.021828
"645469"	240.101876	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+3H"	3.021828
"1169061"	80.705476	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+3H"	3.021828
"426865"	496.223023	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+NH4"	18.033823
"787251"	735.317623	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+NH4"	18.033823
"1684193"	257.128423	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4"	18.033823
"336482"	248.6151495	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+NH4"	19.041099
"731818"	368.1624495	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+NH4"	19.041099
"1483450"	129.0678495	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+NH4"	19.041099
"399942"	501.178418	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Na"	22.989218
"763126"	740.273018	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Na"	22.989218
"1612319"	262.083818	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na"	22.989218
"325636"	251.092847	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+Na"	23.996494
"718057"	370.640147	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+Na"	23.996494
"1469690"	131.545547	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+Na"	23.996494
"1058563"	88.03279	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2H+Na"	25.00377
"1263521"	272.128086	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+CH3OH+H"	33.033486
"384285"	517.152358	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+K"	38.963158
"746372"	756.246958	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+K"	38.963158
"1547333"	278.057758	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+K"	38.963158
"302692"	259.079817	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+K"	39.970434
"692930"	378.627117	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+K"	39.970434
"1456969"	139.532517	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+K"	39.970434
"244837"	520.223026	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+H"	42.033826
"1220828"	281.128426	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+H"	42.033826
"1202527"	141.067851	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+2H"	43.041102
"199410"	523.16036	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na-H"	44.97116
"637145"	762.25496	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na-H"	44.97116
"1137369"	284.06576	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Na-H"	44.97116
"179566"	262.083818	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na"	45.978436
"622043"	381.631118	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na"	45.978436
"1122632"	142.536518	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Na"	45.978436
"1403971"	95.360104	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+2Na"	46.985712
"1432075"	286.107346	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+HCOOH"	47.012746
"229066"	267.11684	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+3H2O+2H"	56.04448
"1513844"	300.15939	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+H"	61.06479
"416814"	270.070788	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Na+K"	61.952376
"775623"	389.618088	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Na+K"	61.952376
"1669768"	150.523488	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+K"	61.952376
"254825"	542.204968	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+Na"	64.015768
"1232275"	303.110368	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+Na"	64.015768
"1717880"	303.133893	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+HCOOH"	64.039293
"1182506"	102.687418	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+3Na"	68.967654
"1653490"	308.089288	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+HCOOH"	68.994688
"159989"	555.10824	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2K-H"	76.91904
"598817"	794.20284	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2K-H"	76.91904
"1090252"	316.01364	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K-H"	76.91904
"141444"	278.057758	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2K"	77.926316
"581650"	397.605058	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2K"	77.926316
"1070422"	158.510458	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K"	77.926316
"1103636"	318.028192	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K+H"	78.933592
"1338926"	318.115807	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+DMSO+H"	79.021207
"1011835"	322.154976	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+H"	83.060376
"1529959"	323.148608	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+Na+H"	84.054008
"997501"	161.581126	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+2H"	84.067652
"1590909"	324.063228	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+K+HCOOH"	84.968628
"1427509"	354.094738	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+CF3COOH"	115.000138
"1158892"	182.094401	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+3ACN+2H"	125.094202
"1711725"	371.121285	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+CF3COOH"	132.026685
"1640818"	376.07668	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+CF3COOH"	136.98208
"1581936"	392.05062	"C14633"	"7-Hydroxy-2-acetamidofluorene;N-(7-Hydroxy-9H-fluoren-2-yl)acetamide"	"C15H13NO2"	"239.0946"	"M+K+CF3COOH"	152.95602
"809020"	416.2927	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M"	0
"989200"	397.27431	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-H2O-H"	-19.01839
"74077"	276.521190666667	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M-3H"	-3.021828
"513640"	415.285424	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M-3H"	-3.021828
"889253"	137.756957333333	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-3H"	-3.021828
"1630"	415.285424	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M-2H"	-2.014552
"442283"	623.431774	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M-2H"	-2.014552
"818992"	207.139074	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-2H"	-2.014552
"86280"	831.578124	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M-H"	-1.007276
"523651"	1247.870824	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M-H"	-1.007276
"899020"	415.285424	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-H"	-1.007276
"56924"	848.604671	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M-2H+NH4"	16.019271
"494296"	1264.897371	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M-2H+NH4"	16.019271
"871005"	432.311971	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-2H+NH4"	16.019271
"41093"	853.560066	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M-2H+Na"	20.974666
"478468"	1269.852766	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M-2H+Na"	20.974666
"852620"	437.267366	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-2H+Na"	20.974666
"1621787"	437.267366	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Na-2H"	20.974666
"98317"	433.273763	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M-H+Cl"	33.962126
"538241"	641.420113	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M-H+Cl"	33.962126
"929206"	225.127413	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-H+Cl"	33.962126
"271773"	867.554802	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+Cl"	34.969402
"666381"	1283.847502	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+Cl"	34.969402
"1276599"	451.262102	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Cl"	34.969402
"17820"	869.534006	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M-2H+K"	36.948606
"457624"	1285.826706	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M-2H+K"	36.948606
"836521"	453.241306	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-2H+K"	36.948606
"1557213"	453.241306	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+K-2H"	36.948606
"944608"	461.290894	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-H+HCOOH"	44.998194
"363920"	877.583601	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+HCOOH-H"	44.998201
"348895"	891.599251	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+Hac-H"	59.013851
"1493961"	475.306551	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Hac-H"	59.013851
"960169"	483.272851	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-H+NaCOOH"	66.980151
"115639"	451.262102	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+2Cl"	69.938804
"555929"	659.408452	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+2Cl"	69.938804
"1035663"	243.115752	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2Cl"	69.938804
"1247586"	495.211585	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Br"	78.918885
"1314409"	497.267572	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Cl+HCOOH"	80.974872
"1334824"	519.249529	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Cl+NaCOOH"	102.956829
"922969"	529.278286	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M-H+CF3COOH"	112.985586
"1303687"	565.254964	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Cl+CF3COOH"	148.962264
"1375648"	381.280024	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H-2H2O"	-35.012676
"1398442"	399.29	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H-H2O"	-17.0027
"287366"	833.592676	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+H"	1.007276
"676872"	1249.885376	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+H"	1.007276
"1354315"	417.299976	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H"	1.007276
"132307"	417.299976	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+2H"	2.014552
"575147"	625.446326	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+2H"	2.014552
"1045042"	209.153626	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2H"	2.014552
"212941"	278.535742666667	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+3H"	3.021828
"645214"	417.299976	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+3H"	3.021828
"1164429"	139.771509333333	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+3H"	3.021828
"425881"	850.619223	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+NH4"	18.033823
"785978"	1266.911923	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+NH4"	18.033823
"1682111"	434.326523	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+NH4"	18.033823
"331849"	425.8132495	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+H+NH4"	19.041099
"725363"	633.9595995	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+H+NH4"	19.041099
"1480277"	217.6668995	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H+NH4"	19.041099
"395311"	855.574618	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+Na"	22.989218
"756669"	1271.867318	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+Na"	22.989218
"1610242"	439.281918	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Na"	22.989218
"320279"	428.290947	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+H+Na"	23.996494
"717074"	636.437297	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+H+Na"	23.996494
"1467615"	220.144597	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H+Na"	23.996494
"1063048"	147.098823333333	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2H+Na"	25.00377
"1265820"	449.326186	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+CH3OH+H"	33.033486
"387675"	871.548558	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+K"	38.963158
"747576"	1287.841258	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+K"	38.963158
"1547444"	455.255858	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+K"	38.963158
"299643"	436.277917	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+H+K"	39.970434
"691944"	644.424267	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+H+K"	39.970434
"1459629"	228.131567	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H+K"	39.970434
"247136"	874.619226	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+ACN+H"	42.033826
"1219844"	458.326526	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+ACN+H"	42.033826
"1204825"	229.666901	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+ACN+2H"	43.041102
"203413"	877.55656	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+2Na-H"	44.97116
"639444"	1293.84926	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+2Na-H"	44.97116
"1141854"	461.26386	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2Na-H"	44.97116
"178583"	439.281918	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+2Na"	45.978436
"622518"	647.428268	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+2Na"	45.978436
"1120555"	231.135568	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2Na"	45.978436
"1401894"	154.426137333333	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H+2Na"	46.985712
"1442762"	463.305446	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H+HCOOH"	47.012746
"229176"	444.31494	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+3H2O+2H"	56.04448
"1521983"	477.35749	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+IsoProp+H"	61.06479
"421300"	447.268888	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+Na+K"	61.952376
"777922"	655.415238	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+Na+K"	61.952376
"1669880"	239.122538	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Na+K"	61.952376
"257494"	896.601168	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+ACN+Na"	64.015768
"1234573"	480.308468	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+ACN+Na"	64.015768
"1717991"	480.331993	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+NH4+HCOOH"	64.039293
"1183345"	161.753451333333	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+3Na"	68.967654
"1652872"	485.287388	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Na+HCOOH"	68.994688
"157790"	909.50444	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+2K-H"	76.91904
"597749"	1325.79714	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+2K-H"	76.91904
"1085625"	493.21174	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2K-H"	76.91904
"141632"	455.255858	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"2M+2K"	77.926316
"581877"	663.402208	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"3M+2K"	77.926316
"1069188"	247.109508	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2K"	77.926316
"1104839"	495.226292	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2K+H"	78.933592
"1340132"	495.313907	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+DMSO+H"	79.021207
"1014131"	499.353076	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2ACN+H"	83.060376
"1531165"	500.346708	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+IsoProp+Na+H"	84.054008
"998706"	250.180176	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+2ACN+2H"	84.067652
"1591020"	501.261328	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+K+HCOOH"	84.968628
"1421056"	531.292838	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+H+CF3COOH"	115.000138
"1152439"	270.693451	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+3ACN+2H"	125.094202
"1703084"	548.319385	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+NH4+CF3COOH"	132.026685
"1642021"	553.27478	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+Na+CF3COOH"	136.98208
"1582046"	569.24872	"C14634"	"Methandriol dipropionate"	"C26H40O4"	"416.2927"	"M+K+CF3COOH"	152.95602
"809130"	372.2301	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M"	0
"988132"	353.21171	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-H2O-H"	-19.01839
"74188"	247.146124	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M-3H"	-3.021828
"511563"	371.222824	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M-3H"	-3.021828
"889364"	123.069424	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-3H"	-3.021828
"3564"	371.222824	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M-2H"	-2.014552
"448593"	557.337874	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M-2H"	-2.014552
"826396"	185.107774	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-2H"	-2.014552
"85297"	743.452924	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M-H"	-1.007276
"523762"	1115.683024	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M-H"	-1.007276
"905942"	371.222824	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-H"	-1.007276
"57035"	760.479471	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M-2H+NH4"	16.019271
"493314"	1132.709571	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M-2H+NH4"	16.019271
"875492"	388.249371	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-2H+NH4"	16.019271
"43029"	765.434866	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M-2H+Na"	20.974666
"482950"	1137.664966	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M-2H+Na"	20.974666
"855283"	393.204766	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-2H+Na"	20.974666
"1621902"	393.204766	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Na-2H"	20.974666
"102438"	389.211163	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M-H+Cl"	33.962126
"536164"	575.326213	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M-H+Cl"	33.962126
"930045"	203.096113	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-H+Cl"	33.962126
"271883"	779.429602	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+Cl"	34.969402
"663944"	1151.659702	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+Cl"	34.969402
"1278530"	407.199502	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Cl"	34.969402
"19631"	781.408806	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M-2H+K"	36.948606
"461019"	1153.638906	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M-2H+K"	36.948606
"834080"	409.178706	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-2H+K"	36.948606
"1559024"	409.178706	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+K-2H"	36.948606
"947276"	417.228294	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-H+HCOOH"	44.998194
"363059"	789.458401	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+HCOOH-H"	44.998201
"347064"	803.474051	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+Hac-H"	59.013851
"1494437"	431.243951	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Hac-H"	59.013851
"959425"	439.210251	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-H+NaCOOH"	66.980151
"116841"	407.199502	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+2Cl"	69.938804
"556039"	593.314552	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+2Cl"	69.938804
"1024835"	221.084452	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2Cl"	69.938804
"1245507"	451.148985	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Br"	78.918885
"1310143"	453.204972	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Cl+HCOOH"	80.974872
"1327643"	475.186929	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Cl+NaCOOH"	102.956829
"923076"	485.215686	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M-H+CF3COOH"	112.985586
"1297597"	521.192364	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Cl+CF3COOH"	148.962264
"1376851"	337.217424	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H-2H2O"	-35.012676
"1396535"	355.2274	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H-H2O"	-17.0027
"290757"	745.467476	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+H"	1.007276
"680995"	1117.697576	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+H"	1.007276
"1355154"	373.237376	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H"	1.007276
"130230"	373.237376	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+2H"	2.014552
"569063"	559.352426	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+2H"	2.014552
"1048432"	187.122326	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2H"	2.014552
"209771"	249.160676	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+3H"	3.021828
"647146"	373.237376	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+3H"	3.021828
"1165632"	125.083976	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+3H"	3.021828
"425993"	762.494023	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+NH4"	18.033823
"788809"	1134.724123	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+NH4"	18.033823
"1684414"	390.263923	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+NH4"	18.033823
"332327"	381.7506495	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+H+NH4"	19.041099
"725476"	567.8656995	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+H+NH4"	19.041099
"1484763"	195.6355995	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H+NH4"	19.041099
"396514"	767.449418	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+Na"	22.989218
"757877"	1139.679518	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+Na"	22.989218
"1611448"	395.219318	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Na"	22.989218
"318199"	384.228347	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+H+Na"	23.996494
"712811"	570.343397	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+H+Na"	23.996494
"1469912"	198.113297	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H+Na"	23.996494
"1060971"	132.41129	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2H+Na"	25.00377
"1269576"	405.263586	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+CH3OH+H"	33.033486
"383412"	783.423358	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+K"	38.963158
"745500"	1155.653458	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+K"	38.963158
"1545367"	411.193258	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+K"	38.963158
"305827"	392.215317	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+H+K"	39.970434
"692783"	578.330367	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+H+K"	39.970434
"1456459"	206.100267	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H+K"	39.970434
"248343"	786.494026	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+ACN+H"	42.033826
"1219957"	414.263926	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+ACN+H"	42.033826
"1207123"	207.635601	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+ACN+2H"	43.041102
"203275"	789.43136	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+2Na-H"	44.97116
"638461"	1161.66146	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+2Na-H"	44.97116
"1140871"	417.20126	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2Na-H"	44.97116
"184161"	395.219318	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+2Na"	45.978436
"619348"	581.334368	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+2Na"	45.978436
"1122853"	209.104268	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2Na"	45.978436
"1404193"	139.738604	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H+2Na"	46.985712
"1442872"	419.242846	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H+HCOOH"	47.012746
"227100"	400.25234	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+3H2O+2H"	56.04448
"1517354"	433.29489	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+IsoProp+H"	61.06479
"419225"	403.206288	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+Na+K"	61.952376
"776937"	589.321338	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+Na+K"	61.952376
"1671084"	217.091238	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Na+K"	61.952376
"256511"	808.475968	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+ACN+Na"	64.015768
"1232498"	436.245868	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+ACN+Na"	64.015768
"1719196"	436.269393	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+NH4+HCOOH"	64.039293
"1182363"	147.065918	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+3Na"	68.967654
"1654446"	441.224788	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Na+HCOOH"	68.994688
"158630"	821.37924	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+2K-H"	76.91904
"600866"	1193.60934	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+2K-H"	76.91904
"1087566"	449.14914	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2K-H"	76.91904
"148757"	411.193258	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"2M+2K"	77.926316
"583943"	597.308308	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"3M+2K"	77.926316
"1075018"	225.078208	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2K"	77.926316
"1110422"	451.163692	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2K+H"	78.933592
"1349725"	451.251307	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+DMSO+H"	79.021207
"1015337"	455.290476	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2ACN+H"	83.060376
"1533463"	456.284108	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+IsoProp+Na+H"	84.054008
"999911"	228.148876	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+2ACN+2H"	84.067652
"1598790"	457.198728	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+K+HCOOH"	84.968628
"1425541"	487.230238	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+H+CF3COOH"	115.000138
"1158017"	248.662151	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+3ACN+2H"	125.094202
"1706474"	504.256785	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+NH4+CF3COOH"	132.026685
"1641033"	509.21218	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+Na+CF3COOH"	136.98208
"1578876"	525.18612	"C14635"	"16alpha17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;16alpha17alpha-Epoxypregnenolone acetate"	"C23H32O4"	"372.2301"	"M+K+CF3COOH"	152.95602
"809240"	420.1948	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M"	0
"979494"	401.17641	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-H2O-H"	-19.01839
"73205"	279.122590666667	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M-3H"	-3.021828
"510579"	419.187524	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M-3H"	-3.021828
"887287"	139.057657333333	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-3H"	-3.021828
"1607"	419.187524	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M-2H"	-2.014552
"443600"	629.284924	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M-2H"	-2.014552
"823226"	209.090124	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-2H"	-2.014552
"84314"	839.382324	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M-H"	-1.007276
"522414"	1259.577124	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M-H"	-1.007276
"908238"	419.187524	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-H"	-1.007276
"56052"	856.408871	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M-2H+NH4"	16.019271
"496704"	1276.603671	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M-2H+NH4"	16.019271
"874509"	436.214071	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-2H+NH4"	16.019271
"42410"	861.364266	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M-2H+Na"	20.974666
"481967"	1281.559066	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M-2H+Na"	20.974666
"852113"	441.169466	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-2H+Na"	20.974666
"1621648"	441.169466	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Na-2H"	20.974666
"99268"	437.175863	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M-H+Cl"	33.962126
"534337"	647.273263	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M-H+Cl"	33.962126
"931248"	227.078463	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-H+Cl"	33.962126
"271993"	875.359002	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+Cl"	34.969402
"662596"	1295.553802	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+Cl"	34.969402
"1276454"	455.164202	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Cl"	34.969402
"19379"	877.338206	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M-2H+K"	36.948606
"461129"	1297.533006	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M-2H+K"	36.948606
"833461"	457.143406	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-2H+K"	36.948606
"1558041"	457.143406	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+K-2H"	36.948606
"945200"	465.192994	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-H+HCOOH"	44.998194
"363048"	885.387801	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+HCOOH-H"	44.998201
"347297"	899.403451	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+Hac-H"	59.013851
"1493210"	479.208651	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Hac-H"	59.013851
"959417"	487.174951	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-H+NaCOOH"	66.980151
"115858"	455.164202	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+2Cl"	69.938804
"553234"	665.261602	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+2Cl"	69.938804
"1023853"	245.066802	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+2Cl"	69.938804
"1245617"	499.113685	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Br"	78.918885
"1308067"	501.169672	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Cl+HCOOH"	80.974872
"1327753"	523.151629	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Cl+NaCOOH"	102.956829
"919905"	533.180386	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M-H+CF3COOH"	112.985586
"1297707"	569.157064	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Cl+CF3COOH"	148.962264
"1373681"	385.182124	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+H-2H2O"	-35.012676
"1388991"	403.1921	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+H-H2O"	-17.0027
"286493"	841.396876	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+H"	1.007276
"676851"	1261.591676	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+H"	1.007276
"1353805"	421.202076	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+H"	1.007276
"129612"	421.202076	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+2H"	2.014552
"567349"	631.299476	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+2H"	2.014552
"1048542"	211.104676	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+2H"	2.014552
"213162"	281.137142666667	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+3H"	3.021828
"646527"	421.202076	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+3H"	3.021828
"1163922"	141.072209333333	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+3H"	3.021828
"426468"	858.423423	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+NH4"	18.033823
"787462"	1278.618223	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+NH4"	18.033823
"1682701"	438.228623	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+NH4"	18.033823
"331709"	429.7153495	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+H+NH4"	19.041099
"725586"	639.8127495	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+H+NH4"	19.041099
"1483779"	219.6179495	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+H+NH4"	19.041099
"393712"	863.378818	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+Na"	22.989218
"756893"	1283.573618	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+Na"	22.989218
"1609371"	443.184018	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+Na"	22.989218
"324871"	432.193047	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"2M+H+Na"	23.996494
"716201"	642.290447	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"3M+H+Na"	23.996494
"1468928"	222.095647	"C14636"	"9alpha-Fluoro-11beta17alpha21-trihydroxypregna-14-diene-320-dione 21-acetate;Isoflupredone acetate;U-6013"	"C23H29FO6"	"420.1948"	"M+H+Na"	23.996494
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"677569"	1021.509776	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+H"	1.007276
"1352457"	341.174776	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+H"	1.007276
"130451"	341.174776	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+2H"	2.014552
"566730"	511.258526	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+2H"	2.014552
"1049381"	171.091026	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2H"	2.014552
"214366"	227.785609333333	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+3H"	3.021828
"646637"	341.174776	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+3H"	3.021828
"1165126"	114.396442666667	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+3H"	3.021828
"426578"	698.368823	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+NH4"	18.033823
"786476"	1038.536323	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+NH4"	18.033823
"1682567"	358.201323	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+NH4"	18.033823
"333275"	349.6880495	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+H+NH4"	19.041099
"726058"	519.7717995	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+H+NH4"	19.041099
"1483891"	179.6042995	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+H+NH4"	19.041099
"396009"	703.324218	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+Na"	22.989218
"759191"	1043.491718	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+Na"	22.989218
"1609479"	363.156718	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+Na"	22.989218
"321701"	352.165747	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+H+Na"	23.996494
"714124"	522.249497	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+H+Na"	23.996494
"1469036"	182.081997	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+H+Na"	23.996494
"1059001"	121.723756666667	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2H+Na"	25.00377
"1261774"	373.200986	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+CH3OH+H"	33.033486
"384725"	719.298158	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+K"	38.963158
"746814"	1059.465658	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+K"	38.963158
"1549959"	379.130658	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+K"	38.963158
"302767"	360.152717	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+H+K"	39.970434
"692274"	530.236467	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+H+K"	39.970434
"1448650"	190.068967	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+H+K"	39.970434
"244184"	722.368826	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+ACN+H"	42.033826
"1219083"	382.201326	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+ACN+H"	42.033826
"1209165"	191.604301	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+ACN+2H"	43.041102
"198028"	725.30616	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+2Na-H"	44.97116
"638681"	1065.47366	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+2Na-H"	44.97116
"1139997"	385.13866	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2Na-H"	44.97116
"182196"	363.156718	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+2Na"	45.978436
"619567"	533.240468	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+2Na"	45.978436
"1118699"	193.072968	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2Na"	45.978436
"1406965"	129.051070666667	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+H+2Na"	46.985712
"1441635"	387.180246	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+H+HCOOH"	47.012746
"226225"	368.18974	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+3H2O+2H"	56.04448
"1518668"	401.23229	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+IsoProp+H"	61.06479
"418352"	371.143688	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+Na+K"	61.952376
"778252"	541.227438	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+Na+K"	61.952376
"1667295"	201.059938	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+Na+K"	61.952376
"254540"	744.350768	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+ACN+Na"	64.015768
"1230529"	404.183268	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+ACN+Na"	64.015768
"1716133"	404.206793	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+NH4+HCOOH"	64.039293
"1182582"	136.378384666667	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+3Na"	68.967654
"1652478"	409.162188	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+Na+HCOOH"	68.994688
"158245"	757.25404	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+2K-H"	76.91904
"597560"	1097.42154	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+2K-H"	76.91904
"1084502"	417.08654	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2K-H"	76.91904
"144603"	379.130658	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"2M+2K"	77.926316
"584163"	549.214408	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"3M+2K"	77.926316
"1074145"	209.046908	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2K"	77.926316
"1106262"	419.101092	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2K+H"	78.933592
"1350066"	419.188707	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+DMSO+H"	79.021207
"1014463"	423.227876	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2ACN+H"	83.060376
"1531496"	424.221508	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+IsoProp+Na+H"	84.054008
"1000131"	212.117576	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+2ACN+2H"	84.067652
"1597915"	425.136128	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+K+HCOOH"	84.968628
"1422481"	455.167638	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+H+CF3COOH"	115.000138
"1159330"	232.630851	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+3ACN+2H"	125.094202
"1703414"	472.194185	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+NH4+CF3COOH"	132.026685
"1637973"	477.14958	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+Na+CF3COOH"	136.98208
"1579096"	493.12352	"C14637"	"16beta-Hydroxy-311-dioxopregna-417(20)-dien-21-oic acid gamma-lactone"	"C21H24O4"	"340.1675"	"M+K+CF3COOH"	152.95602
"809460"	396.1948	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M"	0
"982994"	377.17641	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-H2O-H"	-19.01839
"72332"	263.122590666667	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M-3H"	-3.021828
"510799"	395.187524	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M-3H"	-3.021828
"887507"	131.057657333333	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-3H"	-3.021828
"2072"	395.187524	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M-2H"	-2.014552
"443456"	593.284924	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M-2H"	-2.014552
"821259"	197.090124	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-2H"	-2.014552
"81615"	791.382324	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M-H"	-1.007276
"521173"	1187.577124	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M-H"	-1.007276
"907364"	395.187524	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-H"	-1.007276
"52990"	808.408871	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M-2H+NH4"	16.019271
"496924"	1204.603671	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M-2H+NH4"	16.019271
"875820"	412.214071	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-2H+NH4"	16.019271
"43359"	813.364266	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M-2H+Na"	20.974666
"476719"	1209.559066	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M-2H+Na"	20.974666
"852333"	417.169466	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-2H+Na"	20.974666
"1620045"	417.169466	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Na-2H"	20.974666
"95476"	413.175863	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M-H+Cl"	33.962126
"534789"	611.273263	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M-H+Cl"	33.962126
"928189"	215.078463	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-H+Cl"	33.962126
"267961"	827.359002	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+Cl"	34.969402
"661359"	1223.553802	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+Cl"	34.969402
"1274487"	431.164202	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Cl"	34.969402
"16476"	829.338206	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M-2H+K"	36.948606
"456445"	1225.533006	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M-2H+K"	36.948606
"833476"	433.143406	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-2H+K"	36.948606
"1556922"	433.143406	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+K-2H"	36.948606
"943958"	441.192994	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-H+HCOOH"	44.998194
"361532"	837.387801	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+HCOOH-H"	44.998201
"346420"	851.403451	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+Hac-H"	59.013851
"1494885"	455.208651	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Hac-H"	59.013851
"958743"	463.174951	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-H+NaCOOH"	66.980151
"110851"	431.164202	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+2Cl"	69.938804
"555273"	629.261602	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+2Cl"	69.938804
"1026260"	233.066802	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2Cl"	69.938804
"1243651"	475.113685	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Br"	78.918885
"1306461"	477.169672	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Cl+HCOOH"	80.974872
"1322505"	499.151629	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Cl+NaCOOH"	102.956829
"916844"	509.180386	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M-H+CF3COOH"	112.985586
"1297926"	545.157064	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Cl+CF3COOH"	148.962264
"1373901"	361.182124	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H-2H2O"	-35.012676
"1383376"	379.1921	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H-H2O"	-17.0027
"283009"	793.396876	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+H"	1.007276
"676826"	1189.591676	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+H"	1.007276
"1351631"	397.202076	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H"	1.007276
"128009"	397.202076	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+2H"	2.014552
"567205"	595.299476	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+2H"	2.014552
"1047668"	199.104676	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2H"	2.014552
"214111"	265.137142666667	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+3H"	3.021828
"644796"	397.202076	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+3H"	3.021828
"1165235"	133.072209333333	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+3H"	3.021828
"424491"	810.423423	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+NH4"	18.033823
"786218"	1206.618223	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+NH4"	18.033823
"1682554"	414.228623	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+NH4"	18.033823
"330830"	405.7153495	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+H+NH4"	19.041099
"725074"	603.8127495	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+H+NH4"	19.041099
"1479262"	207.6179495	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H+NH4"	19.041099
"394414"	815.378818	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+Na"	22.989218
"755655"	1211.573618	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+Na"	22.989218
"1605214"	419.184018	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Na"	22.989218
"318530"	408.193047	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+H+Na"	23.996494
"712046"	606.290447	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+H+Na"	23.996494
"1465867"	210.095647	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H+Na"	23.996494
"1055831"	140.399523333333	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2H+Na"	25.00377
"1258605"	429.228286	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+CH3OH+H"	33.033486
"385929"	831.352758	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+K"	38.963158
"750204"	1227.547558	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+K"	38.963158
"1548978"	435.157958	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+K"	38.963158
"300808"	416.180017	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+H+K"	39.970434
"695300"	614.277417	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+H+K"	39.970434
"1448760"	218.082617	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H+K"	39.970434
"245387"	834.423426	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+ACN+H"	42.033826
"1220284"	438.228626	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+ACN+H"	42.033826
"1205266"	219.617951	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+ACN+2H"	43.041102
"194858"	837.36076	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+2Na-H"	44.97116
"635511"	1233.55556	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+2Na-H"	44.97116
"1136827"	441.16596	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2Na-H"	44.97116
"177932"	419.184018	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+2Na"	45.978436
"617490"	617.281418	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+2Na"	45.978436
"1119173"	221.086618	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2Na"	45.978436
"1400512"	147.726837333333	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H+2Na"	46.985712
"1441745"	443.207546	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H+HCOOH"	47.012746
"228886"	424.21704	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+3H2O+2H"	56.04448
"1519871"	457.25959	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+IsoProp+H"	61.06479
"417002"	427.170988	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+Na+K"	61.952376
"776176"	625.268388	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+Na+K"	61.952376
"1667040"	229.073588	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Na+K"	61.952376
"253921"	856.405368	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+ACN+Na"	64.015768
"1229909"	460.210568	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+ACN+Na"	64.015768
"1716607"	460.234093	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+NH4+HCOOH"	64.039293
"1181599"	155.054151333333	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+3Na"	68.967654
"1652582"	465.189488	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Na+HCOOH"	68.994688
"159447"	869.30864	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+2K-H"	76.91904
"598157"	1265.50344	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+2K-H"	76.91904
"1084446"	473.11384	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2K-H"	76.91904
"143620"	435.157958	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"2M+2K"	77.926316
"583179"	633.255358	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"3M+2K"	77.926316
"1072068"	237.060558	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2K"	77.926316
"1107466"	475.128392	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2K+H"	78.933592
"1349813"	475.216007	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+DMSO+H"	79.021207
"1014574"	479.255176	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2ACN+H"	83.060376
"1534886"	480.248808	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+IsoProp+Na+H"	84.054008
"1000241"	240.131226	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+2ACN+2H"	84.067652
"1601305"	481.163428	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+K+HCOOH"	84.968628
"1422591"	511.194938	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+H+CF3COOH"	115.000138
"1158347"	260.644501	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+3ACN+2H"	125.094202
"1700244"	528.221485	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+NH4+CF3COOH"	132.026685
"1638083"	533.17688	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+Na+CF3COOH"	136.98208
"1579206"	549.15082	"C14638"	"9alpha-Fluoro-11beta16alpha17alpha21-tetrahydroxypregn-4-ene-320-dione;9alpha-Fluoro-16alpha-hydroxyhydrocortisone"	"C21H29FO6"	"396.1948"	"M+K+CF3COOH"	152.95602
"809570"	147.0684	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M"	0
"983104"	128.05001	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-H2O-H"	-19.01839
"72442"	97.038324	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M-3H"	-3.021828
"510910"	146.061124	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M-3H"	-3.021828
"887617"	48.015524	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-3H"	-3.021828
"5098"	146.061124	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M-2H"	-2.014552
"441744"	219.595324	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M-2H"	-2.014552
"823556"	72.526924	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-2H"	-2.014552
"82818"	293.129524	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M-H"	-1.007276
"520921"	440.197924	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M-H"	-1.007276
"909298"	146.061124	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-H"	-1.007276
"54193"	310.156071	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M-2H+NH4"	16.019271
"497034"	457.224471	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M-2H+NH4"	16.019271
"875930"	163.087671	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-2H+NH4"	16.019271
"43833"	315.111466	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M-2H+Na"	20.974666
"475369"	462.179866	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M-2H+Na"	20.974666
"852807"	168.043066	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-2H+Na"	20.974666
"1622705"	168.043066	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Na-2H"	20.974666
"95222"	164.049463	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M-H+Cl"	33.962126
"535512"	237.583663	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M-H+Cl"	33.962126
"932674"	90.515263	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-H+Cl"	33.962126
"271230"	329.106202	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+Cl"	34.969402
"668029"	476.174602	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+Cl"	34.969402
"1274355"	182.037802	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Cl"	34.969402
"17641"	331.085406	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M-2H+K"	36.948606
"458176"	478.153806	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M-2H+K"	36.948606
"833177"	184.017006	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-2H+K"	36.948606
"1556668"	184.017006	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+K-2H"	36.948606
"944431"	192.066594	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-H+HCOOH"	44.998194
"363011"	339.135001	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+HCOOH-H"	44.998201
"345999"	353.150651	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+Hac-H"	59.013851
"1493052"	206.082251	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Hac-H"	59.013851
"959380"	214.048551	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-H+NaCOOH"	66.980151
"110717"	182.037802	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+2Cl"	69.938804
"554289"	255.572002	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+2Cl"	69.938804
"1026368"	108.503602	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2Cl"	69.938804
"1244853"	225.987285	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Br"	78.918885
"1308394"	228.043272	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Cl+HCOOH"	80.974872
"1324797"	250.025229	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Cl+NaCOOH"	102.956829
"914767"	260.053986	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M-H+CF3COOH"	112.985586
"1292569"	296.030664	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Cl+CF3COOH"	148.962264
"1370729"	112.055724	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H-2H2O"	-35.012676
"1387131"	130.0657	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H-H2O"	-17.0027
"283047"	295.144076	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+H"	1.007276
"677789"	442.212476	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+H"	1.007276
"1352311"	148.075676	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H"	1.007276
"127146"	148.075676	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+2H"	2.014552
"567313"	221.609876	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+2H"	2.014552
"1046321"	74.541476	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2H"	2.014552
"213492"	99.052876	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+3H"	3.021828
"645031"	148.075676	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+3H"	3.021828
"1163884"	50.030076	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+3H"	3.021828
"425337"	312.170623	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+NH4"	18.033823
"788519"	459.239023	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+NH4"	18.033823
"1682663"	165.102223	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+NH4"	18.033823
"331671"	156.5889495	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+H+NH4"	19.041099
"724090"	230.1231495	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+H+NH4"	19.041099
"1480458"	83.0547495	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H+NH4"	19.041099
"394768"	317.126018	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+Na"	22.989218
"756494"	464.194418	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+Na"	22.989218
"1604351"	170.057618	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Na"	22.989218
"317547"	159.066647	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+H+Na"	23.996494
"713247"	232.600847	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+H+Na"	23.996494
"1464883"	85.532447	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H+Na"	23.996494
"1057035"	57.35739	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2H+Na"	25.00377
"1259079"	180.101886	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+CH3OH+H"	33.033486
"386038"	333.099958	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+K"	38.963158
"753230"	480.168358	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+K"	38.963158
"1554191"	186.031558	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+K"	38.963158
"302984"	167.053617	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+H+K"	39.970434
"694317"	240.587817	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+H+K"	39.970434
"1453609"	93.519417	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H+K"	39.970434
"245499"	336.170626	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+ACN+H"	42.033826
"1217117"	189.102226	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+ACN+H"	42.033826
"1202097"	95.054751	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+ACN+2H"	43.041102
"197153"	339.10796	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+2Na-H"	44.97116
"634528"	486.17636	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+2Na-H"	44.97116
"1139124"	192.03956	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2Na-H"	44.97116
"176949"	170.057618	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+2Na"	45.978436
"619788"	243.591818	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+2Na"	45.978436
"1121106"	96.523418	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2Na"	45.978436
"1401715"	64.684704	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H+2Na"	46.985712
"1441855"	194.081146	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H+HCOOH"	47.012746
"224259"	175.09064	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+3H2O+2H"	56.04448
"1519980"	208.13319	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+IsoProp+H"	61.06479
"417478"	178.044588	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+Na+K"	61.952376
"774098"	251.578788	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+Na+K"	61.952376
"1667879"	104.510388	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Na+K"	61.952376
"254394"	358.152568	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+ACN+Na"	64.015768
"1231843"	211.084168	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+ACN+Na"	64.015768
"1715625"	211.107693	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+NH4+HCOOH"	64.039293
"1180980"	72.012018	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+3Na"	68.967654
"1651113"	216.063088	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Na+HCOOH"	68.994688
"160651"	371.05584	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+2K-H"	76.91904
"598509"	518.12424	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+2K-H"	76.91904
"1086179"	223.98744	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2K-H"	76.91904
"143730"	186.031558	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"2M+2K"	77.926316
"582560"	259.565758	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"3M+2K"	77.926316
"1072178"	112.497358	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2K"	77.926316
"1107576"	226.001992	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2K+H"	78.933592
"1347248"	226.089607	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+DMSO+H"	79.021207
"1016871"	230.128776	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2ACN+H"	83.060376
"1534996"	231.122408	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+IsoProp+Na+H"	84.054008
"1001444"	115.568026	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+2ACN+2H"	84.067652
"1602145"	232.037028	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+K+HCOOH"	84.968628
"1425981"	262.068538	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+H+CF3COOH"	115.000138
"1159550"	136.081301	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+3ACN+2H"	125.094202
"1700354"	279.095085	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+NH4+CF3COOH"	132.026685
"1641473"	284.05048	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+Na+CF3COOH"	136.98208
"1579316"	300.02442	"C14639"	"2-Indanone oxime;13-Dihydro-2H-inden-2-one oxime"	"C9H9NO"	"147.0684"	"M+K+CF3COOH"	152.95602
"809680"	396.2664	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M"	0
"986494"	377.24801	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-H2O-H"	-19.01839
"74739"	263.170324	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M-3H"	-3.021828
"515393"	395.259124	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M-3H"	-3.021828
"887727"	131.081524	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-3H"	-3.021828
"8488"	395.259124	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M-2H"	-2.014552
"442947"	593.392324	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M-2H"	-2.014552
"824759"	197.125924	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-2H"	-2.014552
"86940"	791.525524	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M-H"	-1.007276
"521030"	1187.791924	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M-H"	-1.007276
"910743"	395.259124	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-H"	-1.007276
"54303"	808.552071	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M-2H+NH4"	16.019271
"502128"	1204.818471	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M-2H+NH4"	16.019271
"878837"	412.285671	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-2H+NH4"	16.019271
"46008"	813.507466	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M-2H+Na"	20.974666
"478032"	1209.773866	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M-2H+Na"	20.974666
"852917"	417.241066	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-2H+Na"	20.974666
"1622087"	417.241066	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Na-2H"	20.974666
"96791"	413.247463	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M-H+Cl"	33.962126
"536716"	611.380663	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M-H+Cl"	33.962126
"932784"	215.114263	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-H+Cl"	33.962126
"271342"	827.502202	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+Cl"	34.969402
"670326"	1223.768602	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+Cl"	34.969402
"1273614"	431.235802	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Cl"	34.969402
"18725"	829.481406	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M-2H+K"	36.948606
"457921"	1225.747806	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M-2H+K"	36.948606
"833166"	433.215006	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-2H+K"	36.948606
"1556414"	433.215006	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+K-2H"	36.948606
"944543"	441.264594	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-H+HCOOH"	44.998194
"363853"	837.531001	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+HCOOH-H"	44.998201
"346642"	851.546651	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+Hac-H"	59.013851
"1493652"	455.280251	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Hac-H"	59.013851
"959734"	463.246551	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-H+NaCOOH"	66.980151
"110234"	431.235802	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+2Cl"	69.938804
"553670"	629.369002	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+2Cl"	69.938804
"1025385"	233.102602	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2Cl"	69.938804
"1244965"	475.185285	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Br"	78.918885
"1309598"	477.241272	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Cl+HCOOH"	80.974872
"1326001"	499.223229	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Cl+NaCOOH"	102.956829
"919252"	509.251986	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M-H+CF3COOH"	112.985586
"1291586"	545.228664	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Cl+CF3COOH"	148.962264
"1370838"	361.253724	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H-2H2O"	-35.012676
"1385053"	379.2637	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H-H2O"	-17.0027
"283039"	793.540076	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+H"	1.007276
"676805"	1189.806476	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+H"	1.007276
"1351380"	397.273676	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H"	1.007276
"127864"	397.273676	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+2H"	2.014552
"567056"	595.406876	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+2H"	2.014552
"1045701"	199.140476	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2H"	2.014552
"211415"	265.184876	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+3H"	3.021828
"644773"	397.273676	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+3H"	3.021828
"1163993"	133.096076	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+3H"	3.021828
"424720"	810.566623	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+NH4"	18.033823
"786442"	1206.833023	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+NH4"	18.033823
"1681434"	414.300223	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+NH4"	18.033823
"331417"	405.7869495	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+H+NH4"	19.041099
"723107"	603.9201495	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+H+NH4"	19.041099
"1478020"	207.6537495	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H+NH4"	19.041099
"394515"	815.522018	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+Na"	22.989218
"756966"	1211.788418	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+Na"	22.989218
"1604339"	419.255618	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Na"	22.989218
"314536"	408.264647	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+H+Na"	23.996494
"711171"	606.397847	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+H+Na"	23.996494
"1464993"	210.131447	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H+Na"	23.996494
"1056053"	140.42339	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2H+Na"	25.00377
"1258825"	429.299886	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+CH3OH+H"	33.033486
"381775"	831.495958	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+K"	38.963158
"747144"	1227.762358	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+K"	38.963158
"1555030"	435.229558	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+K"	38.963158
"302000"	416.251617	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+H+K"	39.970434
"696611"	614.384817	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+H+K"	39.970434
"1449344"	218.118417	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H+K"	39.970434
"243414"	834.566626	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+ACN+H"	42.033826
"1220505"	438.300226	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+ACN+H"	42.033826
"1205485"	219.653751	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+ACN+2H"	43.041102
"200542"	837.50396	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+2Na-H"	44.97116
"640100"	1233.77036	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+2Na-H"	44.97116
"1140327"	441.23756	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2Na-H"	44.97116
"182524"	419.255618	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+2Na"	45.978436
"618074"	617.388818	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+2Na"	45.978436
"1121216"	221.122418	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2Na"	45.978436
"1402189"	147.750704	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H+2Na"	46.985712
"1442694"	443.279146	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H+HCOOH"	47.012746
"227649"	424.28864	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+3H2O+2H"	56.04448
"1518997"	457.33119	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+IsoProp+H"	61.06479
"419412"	427.242588	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+Na+K"	61.952376
"775302"	625.375788	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+Na+K"	61.952376
"1666204"	229.109388	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Na+K"	61.952376
"253051"	856.548568	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+ACN+Na"	64.015768
"1231953"	460.282168	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+ACN+Na"	64.015768
"1716464"	460.305693	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+NH4+HCOOH"	64.039293
"1180722"	155.078018	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+3Na"	68.967654
"1651588"	465.261088	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Na+HCOOH"	68.994688
"161854"	869.45184	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+2K-H"	76.91904
"598255"	1265.71824	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+2K-H"	76.91904
"1086289"	473.18544	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2K-H"	76.91904
"144205"	435.229558	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"2M+2K"	77.926316
"584492"	633.362758	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"3M+2K"	77.926316
"1072288"	237.096358	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2K"	77.926316
"1104406"	475.199992	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2K+H"	78.933592
"1349545"	475.287607	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+DMSO+H"	79.021207
"1016981"	479.326776	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2ACN+H"	83.060376
"1534013"	480.320408	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+IsoProp+Na+H"	84.054008
"1002647"	240.167026	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+2ACN+2H"	84.067652
"1600432"	481.235028	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+K+HCOOH"	84.968628
"1422810"	511.266538	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+H+CF3COOH"	115.000138
"1158567"	260.680301	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+3ACN+2H"	125.094202
"1698641"	528.293085	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+NH4+CF3COOH"	132.026685
"1641583"	533.24848	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+Na+CF3COOH"	136.98208
"1579426"	549.22242	"C14640"	"Estradiol 17beta-cyclopentylpropionate;Estradiol cypionate"	"C26H36O3"	"396.2664"	"M+K+CF3COOH"	152.95602
"809790"	650.6002	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M"	0
"983323"	631.58181	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-H2O-H"	-19.01839
"74849"	432.726190666667	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M-3H"	-3.021828
"515503"	649.592924	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M-3H"	-3.021828
"887837"	215.859457333333	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-3H"	-3.021828
"6412"	649.592924	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M-2H"	-2.014552
"440383"	974.893024	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M-2H"	-2.014552
"824869"	324.292824	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-2H"	-2.014552
"85957"	1300.193124	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M-H"	-1.007276
"520047"	1950.793324	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M-H"	-1.007276
"910246"	649.592924	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-H"	-1.007276
"54413"	1317.219671	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M-2H+NH4"	16.019271
"502601"	1967.819871	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M-2H+NH4"	16.019271
"878338"	666.619471	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-2H+NH4"	16.019271
"45875"	1322.175066	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M-2H+Na"	20.974666
"479235"	1972.775266	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M-2H+Na"	20.974666
"853027"	671.574866	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-2H+Na"	20.974666
"1623290"	671.574866	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Na-2H"	20.974666
"97995"	667.581263	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M-H+Cl"	33.962126
"537191"	992.881363	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M-H+Cl"	33.962126
"931800"	342.281163	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-H+Cl"	33.962126
"276921"	1336.169802	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+Cl"	34.969402
"669341"	1986.770002	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+Cl"	34.969402
"1273481"	685.569602	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Cl"	34.969402
"18835"	1338.149006	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M-2H+K"	36.948606
"456694"	1988.749206	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M-2H+K"	36.948606
"833315"	687.548806	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-2H+K"	36.948606
"1556235"	687.548806	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+K-2H"	36.948606
"944653"	695.598394	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-H+HCOOH"	44.998194
"362506"	1346.198601	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+HCOOH-H"	44.998201
"345823"	1360.214251	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+Hac-H"	59.013851
"1493032"	709.614051	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Hac-H"	59.013851
"960209"	717.580351	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-H+NaCOOH"	66.980151
"110574"	685.569602	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+2Cl"	69.938804
"550618"	1010.869702	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+2Cl"	69.938804
"1025496"	360.269502	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2Cl"	69.938804
"1246168"	729.519085	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Br"	78.918885
"1307521"	731.575072	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Cl+HCOOH"	80.974872
"1325017"	753.557029	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Cl+NaCOOH"	102.956829
"917174"	763.585786	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M-H+CF3COOH"	112.985586
"1290603"	799.562464	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Cl+CF3COOH"	148.962264
"1372041"	615.587524	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H-2H2O"	-35.012676
"1383703"	633.5975	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H-H2O"	-17.0027
"283148"	1302.207676	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+H"	1.007276
"675942"	1952.807876	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+H"	1.007276
"1352047"	651.607476	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H"	1.007276
"126152"	651.607476	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+2H"	2.014552
"567166"	976.907576	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+2H"	2.014552
"1045811"	326.307376	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2H"	2.014552
"209339"	434.740742666667	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+3H"	3.021828
"645248"	651.607476	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+3H"	3.021828
"1164466"	217.874009333333	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+3H"	3.021828
"424830"	1319.234223	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+NH4"	18.033823
"786187"	1969.834423	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+NH4"	18.033823
"1682153"	668.634023	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+NH4"	18.033823
"331527"	660.1207495	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+H+NH4"	19.041099
"725042"	985.4208495	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+H+NH4"	19.041099
"1480681"	334.8206495	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H+NH4"	19.041099
"393531"	1324.189618	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+Na"	22.989218
"755257"	1974.789818	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+Na"	22.989218
"1603356"	673.589418	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Na"	22.989218
"317766"	662.598447	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+H+Na"	23.996494
"712375"	987.898547	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+H+Na"	23.996494
"1466196"	337.298347	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H+Na"	23.996494
"1056163"	225.201323333333	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2H+Na"	25.00377
"1258935"	683.633686	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+CH3OH+H"	33.033486
"381885"	1340.163558	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+K"	38.963158
"747254"	1990.763758	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+K"	38.963158
"1549308"	689.563358	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+K"	38.963158
"299559"	670.585417	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+H+K"	39.970434
"696719"	995.885517	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+H+K"	39.970434
"1449454"	345.285317	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H+K"	39.970434
"242431"	1343.234226	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+ACN+H"	42.033826
"1220615"	692.634026	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+ACN+H"	42.033826
"1207053"	346.820651	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+ACN+2H"	43.041102
"197370"	1346.17156	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+2Na-H"	44.97116
"636929"	1996.77176	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+2Na-H"	44.97116
"1140073"	695.57136	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2Na-H"	44.97116
"182634"	673.589418	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+2Na"	45.978436
"615146"	998.889518	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+2Na"	45.978436
"1118046"	348.289318	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2Na"	45.978436
"1401571"	232.528637333333	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H+2Na"	46.985712
"1439888"	697.612946	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H+HCOOH"	47.012746
"227758"	678.62244	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+3H2O+2H"	56.04448
"1518743"	711.66499	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+IsoProp+H"	61.06479
"418427"	681.576388	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+Na+K"	61.952376
"775413"	1006.876488	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+Na+K"	61.952376
"1666034"	356.276288	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Na+K"	61.952376
"252797"	1365.216168	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+ACN+Na"	64.015768
"1229879"	714.615968	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+ACN+Na"	64.015768
"1713656"	714.639493	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+NH4+HCOOH"	64.039293
"1180467"	239.855951333333	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+3Na"	68.967654
"1650848"	719.594888	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Na+HCOOH"	68.994688
"159049"	1378.11944	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+2K-H"	76.91904
"599340"	2028.71964	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+2K-H"	76.91904
"1084577"	727.51924	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2K-H"	76.91904
"144315"	689.563358	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"2M+2K"	77.926316
"582172"	1014.863458	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"3M+2K"	77.926316
"1072398"	364.263258	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2K"	77.926316
"1103789"	729.533792	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2K+H"	78.933592
"1350750"	729.621407	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+DMSO+H"	79.021207
"1017091"	733.660576	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2ACN+H"	83.060376
"1537405"	734.654208	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+IsoProp+Na+H"	84.054008
"1003853"	367.333926	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+2ACN+2H"	84.067652
"1601393"	735.568828	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+K+HCOOH"	84.968628
"1421827"	765.600338	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+H+CF3COOH"	115.000138
"1160866"	387.847201	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+3ACN+2H"	125.094202
"1706042"	782.626885	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+NH4+CF3COOH"	132.026685
"1644972"	787.58228	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+Na+CF3COOH"	136.98208
"1579536"	803.55622	"C14641"	"Cholesteryl oleate;Cholest-5-en-3-beta-yl oleate;Cholesteryl cis-9-octadecenoate"	"C45H78O2"	"650.6002"	"M+K+CF3COOH"	152.95602
"809900"	396.2301	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M"	0
"983433"	377.21171	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-H2O-H"	-19.01839
"74959"	263.146124	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M-3H"	-3.021828
"514520"	395.222824	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M-3H"	-3.021828
"886854"	131.069424	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-3H"	-3.021828
"6522"	395.222824	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M-2H"	-2.014552
"440291"	593.337874	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M-2H"	-2.014552
"824979"	197.107774	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-2H"	-2.014552
"86067"	791.452924	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M-H"	-1.007276
"520278"	1187.683024	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M-H"	-1.007276
"909627"	395.222824	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-H"	-1.007276
"51607"	808.479471	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M-2H+NH4"	16.019271
"501862"	1204.709571	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M-2H+NH4"	16.019271
"876261"	412.249371	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-2H+NH4"	16.019271
"45256"	813.434866	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M-2H+Na"	20.974666
"477159"	1209.664966	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M-2H+Na"	20.974666
"852408"	417.204766	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-2H+Na"	20.974666
"1622308"	417.204766	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Na-2H"	20.974666
"94742"	413.211163	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M-H+Cl"	33.962126
"538394"	611.326213	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M-H+Cl"	33.962126
"929723"	215.096113	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-H+Cl"	33.962126
"277031"	827.429602	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+Cl"	34.969402
"668358"	1223.659702	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+Cl"	34.969402
"1275293"	431.199502	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Cl"	34.969402
"15729"	829.408806	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M-2H+K"	36.948606
"457776"	1225.638906	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M-2H+K"	36.948606
"833063"	433.178706	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-2H+K"	36.948606
"1556229"	433.178706	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+K-2H"	36.948606
"943709"	441.228294	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-H+HCOOH"	44.998194
"361722"	837.458401	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+HCOOH-H"	44.998201
"347591"	851.474051	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+Hac-H"	59.013851
"1494600"	455.243951	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Hac-H"	59.013851
"959954"	463.210251	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-H+NaCOOH"	66.980151
"112507"	431.199502	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+2Cl"	69.938804
"552797"	629.314552	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+2Cl"	69.938804
"1024513"	233.084452	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2Cl"	69.938804
"1245187"	475.148985	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Br"	78.918885
"1309820"	477.204972	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Cl+HCOOH"	80.974872
"1324038"	499.186929	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Cl+NaCOOH"	102.956829
"915097"	509.215686	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M-H+CF3COOH"	112.985586
"1292900"	545.192364	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Cl+CF3COOH"	148.962264
"1368508"	361.217424	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H-2H2O"	-35.012676
"1385276"	379.2274	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H-H2O"	-17.0027
"283869"	793.467476	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+H"	1.007276
"679213"	1189.697576	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+H"	1.007276
"1351587"	397.237376	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H"	1.007276
"127722"	397.237376	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+2H"	2.014552
"567399"	595.352426	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+2H"	2.014552
"1045921"	199.122326	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2H"	2.014552
"209084"	265.160676	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+3H"	3.021828
"646936"	397.237376	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+3H"	3.021828
"1164213"	133.083976	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+3H"	3.021828
"424939"	810.494023	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+NH4"	18.033823
"786905"	1206.724123	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+NH4"	18.033823
"1683357"	414.263923	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+NH4"	18.033823
"332366"	405.7506495	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+H+NH4"	19.041099
"725152"	603.8656995	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+H+NH4"	19.041099
"1480063"	207.6355995	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H+NH4"	19.041099
"394367"	815.449418	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+Na"	22.989218
"755486"	1211.679518	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+Na"	22.989218
"1604559"	419.219318	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Na"	22.989218
"317876"	408.228347	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+H+Na"	23.996494
"712486"	606.343397	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+H+Na"	23.996494
"1466307"	210.113297	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H+Na"	23.996494
"1056273"	140.41129	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2H+Na"	25.00377
"1259045"	429.263586	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+CH3OH+H"	33.033486
"381995"	831.423358	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+K"	38.963158
"747364"	1227.653458	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+K"	38.963158
"1548325"	435.193258	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+K"	38.963158
"301491"	416.215317	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+H+K"	39.970434
"696828"	614.330367	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+H+K"	39.970434
"1457944"	218.100267	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H+K"	39.970434
"238526"	834.494026	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+ACN+H"	42.033826
"1220723"	438.263926	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+ACN+H"	42.033826
"1205705"	219.635601	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+ACN+2H"	43.041102
"197480"	837.43136	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+2Na-H"	44.97116
"635945"	1233.66146	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+2Na-H"	44.97116
"1136172"	441.20126	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2Na-H"	44.97116
"182744"	419.219318	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+2Na"	45.978436
"615378"	617.334368	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+2Na"	45.978436
"1118156"	221.104268	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2Na"	45.978436
"1404961"	147.738604	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H+2Na"	46.985712
"1439998"	443.242846	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H+HCOOH"	47.012746
"227868"	424.25234	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+3H2O+2H"	56.04448
"1517028"	457.29489	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+IsoProp+H"	61.06479
"417808"	427.206288	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+Na+K"	61.952376
"772607"	625.321338	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+Na+K"	61.952376
"1666097"	229.091238	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Na+K"	61.952376
"252543"	856.475968	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+ACN+Na"	64.015768
"1229989"	460.245868	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+ACN+Na"	64.015768
"1713762"	460.269393	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+NH4+HCOOH"	64.039293
"1180574"	155.065918	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+3Na"	68.967654
"1650106"	465.224788	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Na+HCOOH"	68.994688
"158187"	869.37924	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+2K-H"	76.91904
"599450"	1265.60934	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+2K-H"	76.91904
"1084236"	473.14914	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2K-H"	76.91904
"145518"	435.193258	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"2M+2K"	77.926316
"582403"	633.308308	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"3M+2K"	77.926316
"1072508"	237.078208	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2K"	77.926316
"1103899"	475.163692	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2K+H"	78.933592
"1348674"	475.251307	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+DMSO+H"	79.021207
"1017201"	479.290476	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2ACN+H"	83.060376
"1536422"	480.284108	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+IsoProp+Na+H"	84.054008
"1001777"	240.148876	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+2ACN+2H"	84.067652
"1599558"	481.198728	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+K+HCOOH"	84.968628
"1420844"	511.230238	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+H+CF3COOH"	115.000138
"1155507"	260.662151	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+3ACN+2H"	125.094202
"1699954"	528.256785	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+NH4+CF3COOH"	132.026685
"1639616"	533.21218	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+Na+CF3COOH"	136.98208
"1579646"	549.18612	"C14642"	"Melengestrol acetate;17-Hydroxy-6-methyl-16-methylenepregna-46-diene-320-dione acetate;17alpha-Acetoxy-6-methyl-16-methylenepregna-46-diene-320-dione"	"C25H32O4"	"396.2301"	"M+K+CF3COOH"	152.95602
"810010"	344.2351	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M"	0
"983543"	325.21671	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"75068"	228.482790666667	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"513537"	343.227824	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"886964"	113.737757333333	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"5537"	343.227824	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"441090"	515.345374	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"825089"	171.110274	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"90550"	687.462924	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"519537"	1031.698024	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"907556"	343.227824	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"52446"	704.489471	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"500152"	1048.724571	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"876375"	360.254371	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"43546"	709.444866	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"483830"	1053.679966	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"851791"	365.209766	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1622418"	365.209766	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"95665"	361.216163	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"536317"	533.333713	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"933116"	189.098613	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"280422"	723.439602	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"671385"	1067.674702	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1276497"	379.204502	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"19055"	725.418806	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"457522"	1069.653906	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"836416"	381.183706	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1555742"	381.183706	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"943292"	389.233294	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"361423"	733.468401	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"345818"	747.484051	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1493367"	403.248951	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"959211"	411.215251	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"111520"	379.204502	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"552907"	551.322052	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1024622"	207.086952	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1242742"	423.153985	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1307012"	425.209972	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1321594"	447.191929	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"916299"	457.220686	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1290093"	493.197364	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1370074"	309.222424	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1385384"	327.2324	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"283979"	689.477476	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"678959"	1033.712576	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1353243"	345.242376	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"126859"	345.242376	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"566174"	517.359926	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1040567"	173.124826	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"207737"	230.497342666667	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"645470"	345.242376	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1163718"	115.752309333333	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"426508"	706.504023	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"787139"	1050.739123	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1683833"	362.268923	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"331747"	353.7556495	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"723195"	525.8731995	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1478715"	181.6380995	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"394478"	711.459418	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"755474"	1055.694518	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1607949"	367.224318	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"320173"	356.233347	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"711503"	528.350897	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1467511"	184.115797	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1057477"	123.079623333333	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1261341"	377.268586	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"383198"	727.433358	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"747474"	1071.668458	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1548435"	383.198258	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"300871"	364.220317	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"696938"	536.337867	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1457325"	192.102767	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"238635"	730.504026	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1215354"	386.268926	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1197423"	193.638101	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"199775"	733.44136	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"636055"	1077.67646	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1135189"	389.20626	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"182854"	367.224318	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"616946"	539.341868	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1119359"	195.106768	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1402883"	130.406937333333	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1439014"	391.247846	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"222510"	372.25734	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1516043"	405.29989	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"414638"	375.211288	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"772353"	547.328838	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1665598"	203.093738	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"252289"	752.485968	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1230098"	408.250868	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1713630"	408.274393	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1178702"	137.734251333333	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1652409"	413.229788	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"158054"	765.38924	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"598831"	1109.62434	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1087354"	421.15414	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"146360"	383.198258	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"583365"	555.315808	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1072618"	211.080708	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1103645"	423.168692	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1348783"	423.256307	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1015124"	427.295476	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1537624"	428.289108	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"1003951"	214.151376	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1599668"	429.203728	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1425328"	459.235238	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1155617"	234.664651	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1704075"	476.261785	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1638632"	481.21718	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1579756"	497.19112	"C14643"	"Medrysone;11beta-Hydroxy-6alpha-methylpregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"810120"	229.9513	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M"	0
"980373"	210.93291	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-H2O-H"	-19.01839
"77733"	152.293590666667	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M-3H"	-3.021828
"514740"	228.944024	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M-3H"	-3.021828
"892542"	75.6431573333333	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-3H"	-3.021828
"14397"	228.944024	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M-2H"	-2.014552
"443023"	343.919674	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M-2H"	-2.014552
"821919"	113.968374	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-2H"	-2.014552
"85193"	458.895324	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M-H"	-1.007276
"526940"	688.846624	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M-H"	-1.007276
"908028"	228.944024	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-H"	-1.007276
"59489"	475.921871	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M-2H+NH4"	16.019271
"500504"	705.873171	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M-2H+NH4"	16.019271
"877576"	245.970571	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-2H+NH4"	16.019271
"45117"	480.877266	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M-2H+Na"	20.974666
"483940"	710.828566	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M-2H+Na"	20.974666
"861742"	250.925966	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-2H+Na"	20.974666
"1621435"	250.925966	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Na-2H"	20.974666
"100151"	246.932363	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M-H+Cl"	33.962126
"537524"	361.908013	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M-H+Cl"	33.962126
"931039"	131.956713	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-H+Cl"	33.962126
"271784"	494.872002	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+Cl"	34.969402
"670766"	724.823302	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+Cl"	34.969402
"1277701"	264.920702	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Cl"	34.969402
"20258"	496.851206	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M-2H+K"	36.948606
"460914"	726.802506	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M-2H+K"	36.948606
"836526"	266.899906	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-2H+K"	36.948606
"1557463"	266.899906	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+K-2H"	36.948606
"943891"	274.949494	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-H+HCOOH"	44.998194
"361741"	504.900801	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+HCOOH-H"	44.998201
"346716"	518.916451	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+Hac-H"	59.013851
"1494454"	288.965151	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Hac-H"	59.013851
"959321"	296.931451	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-H+NaCOOH"	66.980151
"112726"	264.920702	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+2Cl"	69.938804
"554110"	379.896352	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+2Cl"	69.938804
"1026920"	149.945052	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2Cl"	69.938804
"1245405"	308.870185	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Br"	78.918885
"1305664"	310.926172	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Cl+HCOOH"	80.974872
"1321340"	332.908129	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Cl+NaCOOH"	102.956829
"911671"	342.936886	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M-H+CF3COOH"	112.985586
"1289110"	378.913564	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Cl+CF3COOH"	148.962264
"1367997"	194.938624	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H-2H2O"	-35.012676
"1383672"	212.9486	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H-H2O"	-17.0027
"284091"	460.909876	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+H"	1.007276
"677973"	690.861176	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+H"	1.007276
"1353227"	230.958576	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H"	1.007276
"127210"	230.958576	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+2H"	2.014552
"567863"	345.934226	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+2H"	2.014552
"1041038"	115.982926	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2H"	2.014552
"207480"	154.308142666667	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+3H"	3.021828
"647040"	230.958576	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+3H"	3.021828
"1165530"	77.6577093333333	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+3H"	3.021828
"426982"	477.936423	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+NH4"	18.033823
"788342"	707.887723	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+NH4"	18.033823
"1684308"	247.985123	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+NH4"	18.033823
"332588"	239.4718495	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+H+NH4"	19.041099
"724644"	354.4474995	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+H+NH4"	19.041099
"1477735"	124.4961995	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H+NH4"	19.041099
"393373"	482.891818	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+Na"	22.989218
"754610"	712.843118	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+Na"	22.989218
"1606239"	252.940518	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Na"	22.989218
"317004"	241.949547	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+H+Na"	23.996494
"710520"	356.925197	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+H+Na"	23.996494
"1466529"	126.973897	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H+Na"	23.996494
"1054671"	84.9850233333333	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2H+Na"	25.00377
"1262544"	262.984786	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+CH3OH+H"	33.033486
"381123"	498.865758	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+K"	38.963158
"744305"	728.817058	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+K"	38.963158
"1546358"	268.914458	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+K"	38.963158
"304628"	249.936517	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+H+K"	39.970434
"698142"	364.912167	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+H+K"	39.970434
"1450874"	134.960867	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H+K"	39.970434
"237045"	501.936426	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+ACN+H"	42.033826
"1212183"	271.985126	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+ACN+H"	42.033826
"1196440"	136.496201	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+ACN+2H"	43.041102
"199885"	504.87376	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+2Na-H"	44.97116
"637259"	734.82506	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+2Na-H"	44.97116
"1135299"	274.92246	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2Na-H"	44.97116
"185881"	252.940518	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+2Na"	45.978436
"615963"	367.916168	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+2Na"	45.978436
"1120562"	137.964868	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2Na"	45.978436
"1402993"	92.3123373333333	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H+2Na"	46.985712
"1439488"	276.964046	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H+HCOOH"	47.012746
"223715"	257.97354	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+3H2O+2H"	56.04448
"1520893"	291.01609	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+IsoProp+H"	61.06479
"420214"	260.927488	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+Na+K"	61.952376
"776836"	375.903138	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+Na+K"	61.952376
"1666974"	145.951838	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Na+K"	61.952376
"254221"	523.918368	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+ACN+Na"	64.015768
"1231302"	293.967068	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+ACN+Na"	64.015768
"1713097"	293.990593	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+NH4+HCOOH"	64.039293
"1179346"	99.6396513333333	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+3Na"	68.967654
"1652519"	298.945988	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Na+HCOOH"	68.994688
"159016"	536.82164	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+2K-H"	76.91904
"599670"	766.77294	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+2K-H"	76.91904
"1087464"	306.87034	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2K-H"	76.91904
"150845"	268.914458	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"2M+2K"	77.926316
"584938"	383.890108	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"3M+2K"	77.926316
"1074918"	153.938808	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2K"	77.926316
"1104848"	308.884892	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2K+H"	78.933592
"1346704"	308.972507	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+DMSO+H"	79.021207
"1019610"	313.011676	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2ACN+H"	83.060376
"1538465"	314.005308	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+IsoProp+Na+H"	84.054008
"1003089"	157.009476	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+2ACN+2H"	84.067652
"1596500"	314.919928	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+K+HCOOH"	84.968628
"1423252"	344.951438	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+H+CF3COOH"	115.000138
"1153538"	177.522751	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+3ACN+2H"	125.094202
"1706373"	361.977985	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+NH4+CF3COOH"	132.026685
"1645305"	366.93338	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+Na+CF3COOH"	136.98208
"1579866"	382.90732	"C14644"	"4-Bromophenylthiourea;N-p-Bromophenylthiourea"	"C7H7BrN2S"	"229.9513"	"M+K+CF3COOH"	152.95602
"806951"	404.2351	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M"	0
"987045"	385.21671	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-H2O-H"	-19.01839
"77476"	268.482790666667	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M-3H"	-3.021828
"517037"	403.227824	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M-3H"	-3.021828
"886090"	133.737757333333	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-3H"	-3.021828
"11226"	403.227824	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M-2H"	-2.014552
"448602"	605.345374	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M-2H"	-2.014552
"818143"	201.110274	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-2H"	-2.014552
"79957"	807.462924	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M-H"	-1.007276
"530331"	1211.698024	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M-H"	-1.007276
"899384"	403.227824	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-H"	-1.007276
"60200"	824.489471	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M-2H+NH4"	16.019271
"499890"	1228.724571	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M-2H+NH4"	16.019271
"877691"	420.254371	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-2H+NH4"	16.019271
"45955"	829.444866	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M-2H+Na"	20.974666
"484050"	1233.679966	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M-2H+Na"	20.974666
"855291"	425.209766	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-2H+Na"	20.974666
"1625919"	425.209766	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Na-2H"	20.974666
"102448"	421.216163	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M-H+Cl"	33.962126
"539822"	623.333713	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M-H+Cl"	33.962126
"936617"	219.098613	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-H+Cl"	33.962126
"282101"	843.439602	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+Cl"	34.969402
"665410"	1247.674702	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+Cl"	34.969402
"1276720"	439.204502	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Cl"	34.969402
"18182"	845.418806	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M-2H+K"	36.948606
"465397"	1249.653906	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M-2H+K"	36.948606
"839919"	441.183706	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-2H+K"	36.948606
"1558303"	441.183706	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+K-2H"	36.948606
"944362"	449.233294	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-H+HCOOH"	44.998194
"362944"	853.468401	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+HCOOH-H"	44.998201
"348284"	867.484051	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+Hac-H"	59.013851
"1494928"	463.248951	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Hac-H"	59.013851
"961743"	471.215251	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-H+NaCOOH"	66.980151
"116483"	439.204502	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+2Cl"	69.938804
"556042"	641.322052	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+2Cl"	69.938804
"1031403"	237.086952	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2Cl"	69.938804
"1250982"	483.153985	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Br"	78.918885
"1313432"	485.209972	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Cl+HCOOH"	80.974872
"1324366"	507.191929	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Cl+NaCOOH"	102.956829
"914331"	517.220686	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M-H+CF3COOH"	112.985586
"1293227"	553.197364	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Cl+CF3COOH"	148.962264
"1370294"	369.222424	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H-2H2O"	-35.012676
"1384515"	387.2324	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H-H2O"	-17.0027
"284204"	809.477476	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+H"	1.007276
"679909"	1213.712576	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+H"	1.007276
"1353706"	405.242376	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H"	1.007276
"129146"	405.242376	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+2H"	2.014552
"570893"	607.359926	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+2H"	2.014552
"1045158"	203.124826	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2H"	2.014552
"206137"	270.497342666667	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+3H"	3.021828
"645698"	405.242376	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+3H"	3.021828
"1164551"	135.752309333333	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+3H"	3.021828
"425758"	826.504023	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+NH4"	18.033823
"787363"	1230.739123	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+NH4"	18.033823
"1683329"	422.268923	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+NH4"	18.033823
"332699"	413.7556495	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+H+NH4"	19.041099
"726578"	615.8731995	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+H+NH4"	19.041099
"1477481"	211.6380995	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H+NH4"	19.041099
"393853"	831.459418	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+Na"	22.989218
"754848"	1235.694518	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+Na"	22.989218
"1608171"	427.224318	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Na"	22.989218
"317115"	416.233347	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+H+Na"	23.996494
"713910"	618.350897	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+H+Na"	23.996494
"1467731"	214.115797	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H+Na"	23.996494
"1059885"	143.079623333333	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2H+Na"	25.00377
"1267029"	437.268586	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+CH3OH+H"	33.033486
"387793"	847.433358	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+K"	38.963158
"749155"	1251.668458	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+K"	38.963158
"1547561"	443.198258	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+K"	38.963158
"304009"	424.220317	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+H+K"	39.970434
"700441"	626.337867	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+H+K"	39.970434
"1450982"	222.102767	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H+K"	39.970434
"237034"	850.504026	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+ACN+H"	42.033826
"1214488"	446.268926	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+ACN+H"	42.033826
"1201655"	223.638101	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+ACN+2H"	43.041102
"197809"	853.44136	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+2Na-H"	44.97116
"637371"	1257.67646	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+2Na-H"	44.97116
"1143065"	449.20626	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2Na-H"	44.97116
"183076"	427.224318	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+2Na"	45.978436
"617168"	629.341868	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+2Na"	45.978436
"1117393"	225.106768	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2Na"	45.978436
"1404199"	150.406937333333	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H+2Na"	46.985712
"1441422"	451.247846	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H+HCOOH"	47.012746
"231481"	432.25734	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+3H2O+2H"	56.04448
"1520637"	465.29989	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+IsoProp+H"	61.06479
"410487"	435.211288	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+Na+K"	61.952376
"770430"	637.328838	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+Na+K"	61.952376
"1665662"	233.093738	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Na+K"	61.952376
"252386"	872.485968	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+ACN+Na"	64.015768
"1230318"	468.250868	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+ACN+Na"	64.015768
"1713735"	468.274393	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+NH4+HCOOH"	64.039293
"1179451"	157.734251333333	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+3Na"	68.967654
"1651166"	473.229788	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Na+HCOOH"	68.994688
"159852"	885.38924	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+2K-H"	76.91904
"600507"	1289.62434	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+2K-H"	76.91904
"1088668"	481.15414	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2K-H"	76.91904
"146581"	443.198258	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"2M+2K"	77.926316
"586140"	645.315808	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"3M+2K"	77.926316
"1071744"	241.080708	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2K"	77.926316
"1103864"	483.168692	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2K+H"	78.933592
"1347910"	483.256307	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+DMSO+H"	79.021207
"1018627"	487.295476	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2ACN+H"	83.060376
"1538456"	488.289108	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+IsoProp+Na+H"	84.054008
"1001012"	244.151376	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+2ACN+2H"	84.067652
"1598797"	489.203728	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+K+HCOOH"	84.968628
"1423362"	519.235238	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+H+CF3COOH"	115.000138
"1154743"	264.664651	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+3ACN+2H"	125.094202
"1704293"	536.261785	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+NH4+CF3COOH"	132.026685
"1636666"	541.21718	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+Na+CF3COOH"	136.98208
"1579976"	557.19112	"C14645"	"Estradiol-17-phenylpropionate;Estra-135(10)-triene-317beta-diol 17-benzenepropionate"	"C27H32O3"	"404.2351"	"M+K+CF3COOH"	152.95602
"807061"	312.2089	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M"	0
"983875"	293.19051	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"77586"	207.131990666667	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"516054"	311.201624	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"887294"	103.062357333333	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"9149"	311.201624	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"444337"	467.306074	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"819954"	155.097174	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"82496"	623.410524	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"526066"	935.619424	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"899493"	311.201624	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"57150"	640.437071	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"499992"	952.645971	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"875607"	328.228171	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"44604"	645.392466	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"474317"	957.601366	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"853214"	333.183566	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1623842"	333.183566	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"97452"	329.189963	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"537742"	485.294413	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"935634"	173.085513	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"272004"	659.387202	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"661508"	971.596102	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1274035"	347.178302	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"16708"	661.366406	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"457487"	973.575306	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"832876"	349.157506	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1559871"	349.157506	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"944474"	357.207094	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"361490"	669.416001	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"345792"	683.431651	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1492840"	371.222751	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"961125"	379.189051	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"111364"	347.178302	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"552506"	503.282752	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1023857"	191.073852	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1242705"	391.127785	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1304427"	393.183772	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1322289"	415.165729	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"914441"	425.194486	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1291151"	461.171164	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1368218"	277.196224	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1384017"	295.2062	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"283094"	625.425076	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"677464"	937.633976	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1353084"	313.216176	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"129256"	313.216176	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"574283"	469.320626	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1045268"	157.111726	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"205150"	209.146542666667	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"645805"	313.216176	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1165028"	105.076909333333	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"424773"	642.451623	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"786742"	954.660523	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1682707"	330.242723	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"332443"	321.7294495	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"724137"	477.8338995	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1478319"	165.6249995	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"393070"	647.407018	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"754510"	959.615918	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1608281"	335.198118	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"316373"	324.207147	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"712927"	480.311597	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1465654"	168.102697	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1054648"	112.404223333333	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1264954"	345.242386	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"383529"	663.380958	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"744524"	975.589858	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1541838"	351.172058	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"300473"	332.194117	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"696177"	488.298567	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1447448"	176.089667	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"236538"	666.451626	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1212405"	354.242726	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1198485"	177.625001	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"196825"	669.38896	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"636386"	981.59786	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1137706"	357.18006	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"182091"	335.198118	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"617277"	491.302568	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1117622"	179.093668	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1404309"	119.731537333333	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1433146"	359.221646	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"230498"	340.23114	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1520747"	373.27369	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"413877"	343.185088	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"771349"	499.289538	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1667556"	187.080638	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"254437"	688.433568	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1229699"	376.224668	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1715302"	376.248193	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1180290"	127.058851333333	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1651640"	381.203588	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"160326"	701.33684	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"601346"	1013.54574	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1087320"	389.12794	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"146691"	351.172058	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"586250"	507.276508	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1071124"	195.067608	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1103608"	391.142492	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1349113"	391.230107	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1018737"	395.269276	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1538807"	396.262908	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"1003309"	198.138276	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1597814"	397.177528	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1422379"	427.209038	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1155947"	218.651551	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1704404"	444.235585	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1636776"	449.19098	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1580086"	465.16492	"C14646"	"Pregna-411-diene-320-dione;11-Dehydroprogesterone"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"813733"	406.1144	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M"	0
"983985"	387.09601	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-H2O-H"	-19.01839
"77211"	269.735657333333	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M-3H"	-3.021828
"518192"	405.107124	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M-3H"	-3.021828
"888499"	134.364190666667	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-3H"	-3.021828
"8167"	405.107124	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M-2H"	-2.014552
"445906"	608.164324	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M-2H"	-2.014552
"820428"	202.049924	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-2H"	-2.014552
"86620"	811.221524	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M-H"	-1.007276
"523995"	1217.335924	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M-H"	-1.007276
"905076"	405.107124	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-H"	-1.007276
"56171"	828.248071	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M-2H+NH4"	16.019271
"490626"	1234.362471	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M-2H+NH4"	16.019271
"875721"	422.133671	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-2H+NH4"	16.019271
"41434"	833.203466	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M-2H+Na"	20.974666
"486460"	1239.317866	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M-2H+Na"	20.974666
"855512"	427.089066	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-2H+Na"	20.974666
"1619580"	427.089066	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Na-2H"	20.974666
"95740"	423.095463	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M-H+Cl"	33.962126
"537857"	626.152663	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M-H+Cl"	33.962126
"931372"	220.038263	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-H+Cl"	33.962126
"272114"	847.198202	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+Cl"	34.969402
"667814"	1253.312602	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+Cl"	34.969402
"1278034"	441.083802	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Cl"	34.969402
"22778"	849.177406	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M-2H+K"	36.948606
"460151"	1255.291806	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M-2H+K"	36.948606
"835769"	443.063006	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-2H+K"	36.948606
"1560349"	443.063006	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+K-2H"	36.948606
"944342"	451.112594	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-H+HCOOH"	44.998194
"362435"	857.227001	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+HCOOH-H"	44.998201
"347048"	871.242651	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+Hac-H"	59.013851
"1493157"	465.128251	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Hac-H"	59.013851
"958604"	473.094551	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-H+NaCOOH"	66.980151
"112328"	441.083802	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+2Cl"	69.938804
"552254"	644.141002	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+2Cl"	69.938804
"1023240"	238.026602	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2Cl"	69.938804
"1243548"	485.033285	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Br"	78.918885
"1305266"	487.089272	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Cl+HCOOH"	80.974872
"1325682"	509.071229	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Cl+NaCOOH"	102.956829
"911417"	519.099986	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M-H+CF3COOH"	112.985586
"1288950"	555.076664	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Cl+CF3COOH"	148.962264
"1367597"	371.101724	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H-2H2O"	-35.012676
"1383758"	389.1117	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H-H2O"	-17.0027
"283079"	813.236076	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+H"	1.007276
"680495"	1219.350476	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+H"	1.007276
"1356480"	407.121676	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H"	1.007276
"126087"	407.121676	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+2H"	2.014552
"567104"	610.178876	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+2H"	2.014552
"1038091"	204.064476	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2H"	2.014552
"205383"	271.750209333333	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+3H"	3.021828
"648474"	407.121676	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+3H"	3.021828
"1165506"	136.378742666667	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+3H"	3.021828
"426591"	830.262623	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+NH4"	18.033823
"785689"	1236.377023	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+NH4"	18.033823
"1681606"	424.148223	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+NH4"	18.033823
"330726"	415.6349495	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+H+NH4"	19.041099
"723271"	618.6921495	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+H+NH4"	19.041099
"1477331"	212.5777495	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H+NH4"	19.041099
"393221"	835.218018	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+Na"	22.989218
"754376"	1241.332418	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+Na"	22.989218
"1603531"	429.103618	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Na"	22.989218
"320616"	418.112647	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+H+Na"	23.996494
"709757"	621.169847	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+H+Na"	23.996494
"1462486"	215.055447	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H+Na"	23.996494
"1057918"	143.706056666667	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2H+Na"	25.00377
"1267250"	439.147886	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+CH3OH+H"	33.033486
"383638"	851.191958	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+K"	38.963158
"747916"	1257.306358	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+K"	38.963158
"1543771"	445.077558	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+K"	38.963158
"301677"	426.099617	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+H+K"	39.970434
"697015"	629.156817	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+H+K"	39.970434
"1447559"	223.042417	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H+K"	39.970434
"239808"	854.262626	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+ACN+H"	42.033826
"1213609"	448.148226	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+ACN+H"	42.033826
"1206985"	224.577751	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+ACN+2H"	43.041102
"196936"	857.19996	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+2Na-H"	44.97116
"636498"	1263.31436	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+2Na-H"	44.97116
"1137816"	451.08556	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2Na-H"	44.97116
"182201"	429.103618	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+2Na"	45.978436
"617387"	632.160818	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+2Na"	45.978436
"1119797"	226.046418	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2Na"	45.978436
"1404419"	151.033370666667	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H+2Na"	46.985712
"1433256"	453.127146	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H+HCOOH"	47.012746
"231701"	434.13664	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+3H2O+2H"	56.04448
"1523044"	467.17919	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+IsoProp+H"	61.06479
"413987"	437.090588	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+Na+K"	61.952376
"772797"	640.147788	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+Na+K"	61.952376
"1668034"	234.033388	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Na+K"	61.952376
"256738"	876.244568	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+ACN+Na"	64.015768
"1230173"	470.130168	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+ACN+Na"	64.015768
"1715417"	470.153693	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+NH4+HCOOH"	64.039293
"1180766"	158.360684666667	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+3Na"	68.967654
"1652485"	475.109088	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Na+HCOOH"	68.994688
"159467"	889.14784	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+2K-H"	76.91904
"600002"	1295.26224	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+2K-H"	76.91904
"1089987"	483.03344	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2K-H"	76.91904
"144249"	445.077558	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"2M+2K"	77.926316
"584175"	648.134758	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"3M+2K"	77.926316
"1075248"	242.020358	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2K"	77.926316
"1102624"	485.047992	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2K+H"	78.933592
"1348379"	485.135607	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+DMSO+H"	79.021207
"1018122"	489.174776	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2ACN+H"	83.060376
"1535882"	490.168408	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+IsoProp+Na+H"	84.054008
"1003425"	245.091026	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+2ACN+2H"	84.067652
"1594644"	491.083028	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+K+HCOOH"	84.968628
"1420304"	521.114538	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+H+CF3COOH"	115.000138
"1159341"	265.604301	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+3ACN+2H"	125.094202
"1708891"	538.141085	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+NH4+CF3COOH"	132.026685
"1648915"	543.09648	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+Na+CF3COOH"	136.98208
"1580196"	559.07042	"C14647"	"Braxoron;9alpha-Bromo-11-oxoprogesterone;9alpha-Bromopregn-4-ene-31120-trione"	"C21H27BrO3"	"406.1144"	"M+K+CF3COOH"	152.95602
"807281"	406.1911	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M"	0
"986282"	387.17271	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-H2O-H"	-19.01839
"76713"	269.786790666667	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M-3H"	-3.021828
"515179"	405.183824	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M-3H"	-3.021828
"886423"	134.389757333333	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-3H"	-3.021828
"8278"	405.183824	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M-2H"	-2.014552
"443830"	608.279374	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M-2H"	-2.014552
"819444"	202.088274	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-2H"	-2.014552
"86731"	811.374924	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M-H"	-1.007276
"520459"	1217.566024	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M-H"	-1.007276
"899719"	405.183824	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-H"	-1.007276
"50815"	828.401471	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M-2H+NH4"	16.019271
"491467"	1234.592571	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M-2H+NH4"	16.019271
"873644"	422.210371	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-2H+NH4"	16.019271
"40451"	833.356866	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M-2H+Na"	20.974666
"481103"	1239.547966	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M-2H+Na"	20.974666
"852341"	427.165766	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-2H+Na"	20.974666
"1619324"	427.165766	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Na-2H"	20.974666
"95854"	423.172163	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M-H+Cl"	33.962126
"541248"	626.267713	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M-H+Cl"	33.962126
"934763"	220.076613	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-H+Cl"	33.962126
"273319"	847.351602	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+Cl"	34.969402
"662458"	1253.542702	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+Cl"	34.969402
"1277051"	441.160502	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Cl"	34.969402
"20702"	849.330806	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M-2H+K"	36.948606
"458074"	1255.521906	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M-2H+K"	36.948606
"839158"	443.139706	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-2H+K"	36.948606
"1559365"	443.139706	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+K-2H"	36.948606
"946522"	451.189294	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-H+HCOOH"	44.998194
"363643"	857.380401	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+HCOOH-H"	44.998201
"346916"	871.396051	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+Hac-H"	59.013851
"1492807"	465.204951	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Hac-H"	59.013851
"960981"	473.171251	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-H+NaCOOH"	66.980151
"111344"	441.160502	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+2Cl"	69.938804
"551271"	644.256052	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+2Cl"	69.938804
"1022013"	238.064952	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2Cl"	69.938804
"1243658"	485.109985	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Br"	78.918885
"1305253"	487.165972	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Cl+HCOOH"	80.974872
"1324699"	509.147929	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Cl+NaCOOH"	102.956829
"912107"	519.176686	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M-H+CF3COOH"	112.985586
"1289302"	555.153364	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Cl+CF3COOH"	148.962264
"1367416"	371.178424	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H-2H2O"	-35.012676
"1382878"	389.1884	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H-H2O"	-17.0027
"282990"	813.389476	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+H"	1.007276
"679148"	1219.580576	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+H"	1.007276
"1356590"	407.198376	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H"	1.007276
"127656"	407.198376	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+2H"	2.014552
"566121"	610.293926	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+2H"	2.014552
"1038203"	204.102826	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2H"	2.014552
"208287"	271.801342666667	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+3H"	3.021828
"648584"	407.198376	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+3H"	3.021828
"1166709"	136.404309333333	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+3H"	3.021828
"426702"	830.416023	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+NH4"	18.033823
"786967"	1236.607123	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+NH4"	18.033823
"1683298"	424.224923	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+NH4"	18.033823
"330597"	415.7116495	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+H+NH4"	19.041099
"723258"	618.8071995	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+H+NH4"	19.041099
"1477162"	212.6160995	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H+NH4"	19.041099
"393817"	835.371418	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+Na"	22.989218
"755906"	1241.562518	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+Na"	22.989218
"1604370"	429.180318	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Na"	22.989218
"321821"	418.189347	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+H+Na"	23.996494
"709866"	621.284897	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+H+Na"	23.996494
"1464784"	215.093797	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H+Na"	23.996494
"1059122"	143.731623333333	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2H+Na"	25.00377
"1266267"	439.224586	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+CH3OH+H"	33.033486
"388852"	851.345358	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+K"	38.963158
"749120"	1257.536458	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+K"	38.963158
"1543882"	445.154258	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+K"	38.963158
"304703"	426.176317	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+H+K"	39.970434
"700771"	629.271867	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+H+K"	39.970434
"1449127"	223.080767	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H+K"	39.970434
"238823"	854.416026	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+ACN+H"	42.033826
"1214082"	448.224926	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+ACN+H"	42.033826
"1204180"	224.616101	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+ACN+2H"	43.041102
"194860"	857.35336	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+2Na-H"	44.97116
"635515"	1263.54446	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+2Na-H"	44.97116
"1134646"	451.16226	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2Na-H"	44.97116
"181218"	429.180318	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+2Na"	45.978436
"617497"	632.275868	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+2Na"	45.978436
"1118814"	226.084768	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2Na"	45.978436
"1400153"	151.058937333333	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H+2Na"	46.985712
"1433730"	453.203846	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H+HCOOH"	47.012746
"231811"	434.21334	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+3H2O+2H"	56.04448
"1523154"	467.25589	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+IsoProp+H"	61.06479
"416285"	437.167288	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+Na+K"	61.952376
"773635"	640.262838	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+Na+K"	61.952376
"1671424"	234.071738	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Na+K"	61.952376
"256849"	876.397968	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+ACN+Na"	64.015768
"1227002"	470.206868	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+ACN+Na"	64.015768
"1715159"	470.230393	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+NH4+HCOOH"	64.039293
"1180148"	158.386251333333	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+3Na"	68.967654
"1653323"	475.185788	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Na+HCOOH"	68.994688
"160917"	889.30124	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+2K-H"	76.91904
"599747"	1295.49234	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+2K-H"	76.91904
"1093377"	483.11014	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2K-H"	76.91904
"143631"	445.154258	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"2M+2K"	77.926316
"584285"	648.249808	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"3M+2K"	77.926316
"1072076"	242.058708	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2K"	77.926316
"1102007"	485.124692	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2K+H"	78.933592
"1346057"	485.212307	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+DMSO+H"	79.021207
"1020052"	489.251476	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2ACN+H"	83.060376
"1537086"	490.245108	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+IsoProp+Na+H"	84.054008
"1003535"	245.129376	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+2ACN+2H"	84.067652
"1600953"	491.159728	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+K+HCOOH"	84.968628
"1423696"	521.191238	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+H+CF3COOH"	115.000138
"1158357"	265.642651	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+3ACN+2H"	125.094202
"1704626"	538.217785	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+NH4+CF3COOH"	132.026685
"1645744"	543.17318	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+Na+CF3COOH"	136.98208
"1580306"	559.14712	"C14648"	"6alpha-Chloro-17-acetoxyprogesterone;6alpha-Chloro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31ClO4"	"406.1911"	"M+K+CF3COOH"	152.95602
"807391"	304.2038	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M"	0
"986757"	285.18541	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"74636"	201.795257333333	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"515289"	303.196524	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"883617"	100.393990666667	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"6202"	303.196524	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"443576"	455.298424	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"818461"	151.094624	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"83560"	607.400324	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"522026"	911.604124	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"897761"	303.196524	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"50924"	624.426871	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"491577"	928.630671	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"871567"	320.223071	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"40563"	629.382266	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"481216"	933.586066	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"852454"	325.178466	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1624176"	325.178466	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"100704"	321.184863	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"541359"	473.286763	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"934874"	169.082963	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"273430"	643.377002	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"663663"	947.580802	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1278255"	339.173202	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"20811"	645.356206	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"459277"	949.560006	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"834895"	341.152406	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1555907"	341.152406	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"946632"	349.201994	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"363388"	653.405801	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"345695"	667.421451	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1494279"	363.217651	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"959996"	371.183951	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"113279"	339.173202	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"553570"	491.275102	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1023827"	187.071302	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1248145"	383.122685	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1309500"	385.178672	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1323353"	407.160629	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"916961"	417.189386	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1294764"	453.166064	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1367695"	269.191124	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1383734"	287.2011	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"283667"	609.414876	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"676816"	913.618676	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1352197"	305.211076	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"126667"	305.211076	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"568413"	457.312976	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1038189"	153.109176	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"205844"	203.809809333333	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"648694"	305.211076	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1166819"	102.408542666667	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"427905"	626.441423	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"787806"	930.645223	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1683408"	322.237623	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"333139"	313.7243495	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"723736"	465.8262495	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1477800"	161.6224495	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"394173"	631.396818	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"758328"	935.600618	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1604241"	327.193018	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"318651"	316.202047	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"708398"	468.303947	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1462464"	164.100147	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1060328"	109.735856666667	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1261640"	337.237286	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"382770"	647.370758	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"747047"	951.574558	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1553469"	343.166958	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"312832"	324.189017	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"704163"	476.290917	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1455796"	172.087117	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"244397"	650.441426	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1218201"	346.237626	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1198083"	173.622451	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"192409"	653.37876	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"633065"	957.58256	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1135842"	349.17496	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"175851"	327.193018	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"618696"	479.294918	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1123295"	175.091118	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1402808"	117.063170666667	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1430918"	351.216546	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"222436"	332.22604	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1510140"	365.26859	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"415297"	335.179988	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"771303"	487.281888	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1666101"	183.078088	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"254404"	672.423368	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1226620"	368.219568	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1713198"	368.243093	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1179892"	124.390484666667	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1650754"	373.198488	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"157979"	685.32664	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"597904"	989.53044	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1085209"	381.12284	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"142638"	343.166958	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"582075"	495.268858	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1071085"	191.065058	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1102117"	383.137392	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1338133"	383.225007	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1007396"	387.264176	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1527344"	388.257808	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"999265"	194.135726	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1594865"	389.172428	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1423804"	419.203938	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1159559"	214.649001	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1704736"	436.230485	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1642574"	441.18588	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1580416"	457.15982	"C14649"	"15alpha-Hydroxytestosterone;15alpha17beta-Dihydroxyandrost-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"807501"	268.1463	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M"	0
"987231"	249.12791	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-H2O-H"	-19.01839
"75839"	177.756924	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M-3H"	-3.021828
"517221"	267.139024	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M-3H"	-3.021828
"884456"	88.374824	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-3H"	-3.021828
"7405"	267.139024	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M-2H"	-2.014552
"443686"	401.212174	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M-2H"	-2.014552
"818571"	133.065874	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-2H"	-2.014552
"83670"	535.285324	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M-H"	-1.007276
"522136"	803.431624	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M-H"	-1.007276
"897263"	267.139024	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-H"	-1.007276
"49941"	552.311871	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M-2H+NH4"	16.019271
"488770"	820.458171	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M-2H+NH4"	16.019271
"871677"	284.165571	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-2H+NH4"	16.019271
"37393"	557.267266	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M-2H+Na"	20.974666
"482055"	825.413566	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M-2H+Na"	20.974666
"852564"	289.120966	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-2H+Na"	20.974666
"1626472"	289.120966	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Na-2H"	20.974666
"103000"	285.127363	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M-H+Cl"	33.962126
"543655"	419.200513	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M-H+Cl"	33.962126
"937170"	151.054213	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-H+Cl"	33.962126
"277913"	571.262002	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+Cl"	34.969402
"667052"	839.408302	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+Cl"	34.969402
"1277270"	303.115702	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Cl"	34.969402
"19828"	573.241206	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M-2H+K"	36.948606
"461575"	841.387506	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M-2H+K"	36.948606
"838285"	305.094906	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-2H+K"	36.948606
"1559585"	305.094906	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+K-2H"	36.948606
"946741"	313.144494	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-H+HCOOH"	44.998194
"366050"	581.290801	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+HCOOH-H"	44.998201
"346408"	595.306451	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+Hac-H"	59.013851
"1494388"	327.160151	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Hac-H"	59.013851
"960107"	335.126451	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-H+NaCOOH"	66.980151
"114118"	303.115702	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+2Cl"	69.938804
"555866"	437.188852	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+2Cl"	69.938804
"1026489"	169.042552	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2Cl"	69.938804
"1244973"	347.065185	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Br"	78.918885
"1311797"	349.121172	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Cl+HCOOH"	80.974872
"1323099"	371.103129	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Cl+NaCOOH"	102.956829
"915248"	381.131886	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M-H+CF3COOH"	112.985586
"1293050"	417.108564	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Cl+CF3COOH"	148.962264
"1367564"	233.133624	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H-2H2O"	-35.012676
"1382745"	251.1436	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H-H2O"	-17.0027
"283658"	537.299876	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+H"	1.007276
"675871"	805.446176	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+H"	1.007276
"1351332"	269.153576	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H"	1.007276
"125740"	269.153576	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+2H"	2.014552
"566334"	403.226726	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+2H"	2.014552
"1037063"	135.080426	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2H"	2.014552
"205099"	179.771476	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+3H"	3.021828
"648804"	269.153576	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+3H"	3.021828
"1166929"	90.389376	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+3H"	3.021828
"430202"	554.326423	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+NH4"	18.033823
"786944"	822.472723	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+NH4"	18.033823
"1682910"	286.180123	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+NH4"	18.033823
"332518"	277.6668495	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+H+NH4"	19.041099
"723965"	411.7399995	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+H+NH4"	19.041099
"1477379"	143.5936995	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H+NH4"	19.041099
"393103"	559.281818	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+Na"	22.989218
"755399"	827.428118	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+Na"	22.989218
"1603255"	291.135518	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Na"	22.989218
"316575"	280.144547	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+H+Na"	23.996494
"708020"	414.217697	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+H+Na"	23.996494
"1461966"	146.071397	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H+Na"	23.996494
"1059345"	97.71669	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2H+Na"	25.00377
"1261386"	301.179786	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+CH3OH+H"	33.033486
"381420"	575.255758	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+K"	38.963158
"746064"	843.402058	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+K"	38.963158
"1553578"	307.109458	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+K"	38.963158
"310756"	288.131517	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+H+K"	39.970434
"703178"	422.204667	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+H+K"	39.970434
"1454814"	154.058367	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H+K"	39.970434
"240133"	578.326426	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+ACN+H"	42.033826
"1214302"	310.180126	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+ACN+H"	42.033826
"1200015"	155.593701	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+ACN+2H"	43.041102
"193250"	581.26376	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+2Na-H"	44.97116
"630987"	849.41006	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+2Na-H"	44.97116
"1135225"	313.11746	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2Na-H"	44.97116
"174867"	291.135518	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+2Na"	45.978436
"617712"	425.208668	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+2Na"	45.978436
"1119031"	157.062368	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2Na"	45.978436
"1402188"	105.044004	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H+2Na"	46.985712
"1431759"	315.159046	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H+HCOOH"	47.012746
"221818"	296.16854	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+3H2O+2H"	56.04448
"1509886"	329.21109	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+IsoProp+H"	61.06479
"415772"	299.122488	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+Na+K"	61.952376
"771297"	433.195638	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+Na+K"	61.952376
"1669452"	165.049338	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Na+K"	61.952376
"252201"	600.308368	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+ACN+Na"	64.015768
"1225682"	332.162068	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+ACN+Na"	64.015768
"1712866"	332.185593	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+NH4+HCOOH"	64.039293
"1178611"	112.371318	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+3Na"	68.967654
"1650538"	337.140988	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Na+HCOOH"	68.994688
"157642"	613.21164	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+2K-H"	76.91904
"597241"	881.35794	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+2K-H"	76.91904
"1084467"	345.06534	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2K-H"	76.91904
"142747"	307.109458	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"2M+2K"	77.926316
"581818"	441.182608	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"3M+2K"	77.926316
"1070466"	173.036308	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2K"	77.926316
"1103320"	347.079892	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2K+H"	78.933592
"1337271"	347.167507	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+DMSO+H"	79.021207
"1008232"	351.206676	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2ACN+H"	83.060376
"1527452"	352.200308	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+IsoProp+Na+H"	84.054008
"998281"	176.106976	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+2ACN+2H"	84.067652
"1594975"	353.114928	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+K+HCOOH"	84.968628
"1423913"	383.146438	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+H+CF3COOH"	115.000138
"1154202"	196.620251	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+3ACN+2H"	125.094202
"1704846"	400.172985	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+NH4+CF3COOH"	132.026685
"1642684"	405.12838	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+Na+CF3COOH"	136.98208
"1580526"	421.10232	"C14650"	"3-Hydroxyestra-135(10)6-tetraen-17-one;6-Dehydroestrone"	"C18H20O2"	"268.1463"	"M+K+CF3COOH"	152.95602
"810891"	386.2093	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M"	0
"987341"	367.19091	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-H2O-H"	-19.01839
"73763"	256.465590666667	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M-3H"	-3.021828
"516238"	385.202024	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M-3H"	-3.021828
"892221"	127.729157333333	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-3H"	-3.021828
"6422"	385.202024	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M-2H"	-2.014552
"450357"	578.306674	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M-2H"	-2.014552
"827068"	192.097374	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-2H"	-2.014552
"90343"	771.411324	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M-H"	-1.007276
"525528"	1157.620624	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M-H"	-1.007276
"902236"	385.202024	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-H"	-1.007276
"53331"	788.437871	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M-2H+NH4"	16.019271
"497265"	1174.647171	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M-2H+NH4"	16.019271
"873974"	402.228571	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-2H+NH4"	16.019271
"38596"	793.393266	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M-2H+Na"	20.974666
"481436"	1179.602566	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M-2H+Na"	20.974666
"852674"	407.183966	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-2H+Na"	20.974666
"1625489"	407.183966	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Na-2H"	20.974666
"102017"	403.190363	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M-H+Cl"	33.962126
"539392"	596.295013	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M-H+Cl"	33.962126
"937280"	210.085713	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-H+Cl"	33.962126
"276930"	807.388002	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+Cl"	34.969402
"667162"	1193.597302	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+Cl"	34.969402
"1276287"	421.178702	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Cl"	34.969402
"19938"	809.367206	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M-2H+K"	36.948606
"461684"	1195.576506	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M-2H+K"	36.948606
"838395"	423.157906	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-2H+K"	36.948606
"1559695"	423.157906	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+K-2H"	36.948606
"949038"	431.207494	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-H+HCOOH"	44.998194
"366889"	817.416801	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+HCOOH-H"	44.998201
"348219"	831.432451	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+Hac-H"	59.013851
"1495227"	445.223151	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Hac-H"	59.013851
"960218"	453.189451	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-H+NaCOOH"	66.980151
"114228"	421.178702	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+2Cl"	69.938804
"555976"	614.283352	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+2Cl"	69.938804
"1026233"	228.074052	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2Cl"	69.938804
"1248366"	465.128185	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Br"	78.918885
"1314095"	467.184172	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Cl+HCOOH"	80.974872
"1327219"	489.166129	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Cl+NaCOOH"	102.956829
"914993"	499.194886	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M-H+CF3COOH"	112.985586
"1293160"	535.171564	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Cl+CF3COOH"	148.962264
"1367676"	351.196624	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H-2H2O"	-35.012676
"1384442"	369.2066	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H-H2O"	-17.0027
"283283"	773.425876	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+H"	1.007276
"676308"	1159.635176	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+H"	1.007276
"1351604"	387.216576	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H"	1.007276
"125948"	387.216576	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+2H"	2.014552
"566934"	580.321226	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+2H"	2.014552
"1037674"	194.111926	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2H"	2.014552
"204482"	258.480142666667	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+3H"	3.021828
"648914"	387.216576	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+3H"	3.021828
"1169226"	129.743709333333	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+3H"	3.021828
"430312"	790.452423	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+NH4"	18.033823
"786933"	1176.661723	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+NH4"	18.033823
"1683264"	404.243123	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+NH4"	18.033823
"330807"	395.7298495	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+H+NH4"	19.041099
"722980"	588.8344995	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+H+NH4"	19.041099
"1477040"	202.6251995	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H+NH4"	19.041099
"393300"	795.407818	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+Na"	22.989218
"754536"	1181.617118	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+Na"	22.989218
"1602957"	409.198518	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Na"	22.989218
"315225"	398.207547	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+H+Na"	23.996494
"708010"	591.312197	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+H+Na"	23.996494
"1467304"	205.102897	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H+Na"	23.996494
"1054594"	137.071023333333	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2H+Na"	25.00377
"1258947"	419.242786	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+CH3OH+H"	33.033486
"381895"	811.381758	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+K"	38.963158
"746174"	1197.591058	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+K"	38.963158
"1554905"	425.172458	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+K"	38.963158
"311958"	406.194517	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+H+K"	39.970434
"702195"	599.299167	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+H+K"	39.970434
"1456017"	213.089867	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H+K"	39.970434
"240243"	814.452426	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+ACN+H"	42.033826
"1211859"	428.243126	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+ACN+H"	42.033826
"1200125"	214.625201	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+ACN+2H"	43.041102
"190810"	817.38976	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+2Na-H"	44.97116
"631829"	1203.59906	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+2Na-H"	44.97116
"1134970"	431.18046	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2Na-H"	44.97116
"174003"	409.198518	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+2Na"	45.978436
"620009"	602.303168	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+2Na"	45.978436
"1122421"	216.093868	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2Na"	45.978436
"1400477"	144.398337333333	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H+2Na"	46.985712
"1430529"	433.222046	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H+HCOOH"	47.012746
"225572"	414.23154	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+3H2O+2H"	56.04448
"1509996"	447.27409	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+IsoProp+H"	61.06479
"412235"	417.185488	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+Na+K"	61.952376
"772865"	610.290138	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+Na+K"	61.952376
"1666280"	224.080838	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Na+K"	61.952376
"252065"	836.434368	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+ACN+Na"	64.015768
"1225725"	450.225068	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+ACN+Na"	64.015768
"1713419"	450.248593	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+NH4+HCOOH"	64.039293
"1178569"	151.725651333333	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+3Na"	68.967654
"1650033"	455.203988	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Na+HCOOH"	68.994688
"157713"	849.33764	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+2K-H"	76.91904
"598003"	1235.54694	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+2K-H"	76.91904
"1085186"	463.12834	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2K-H"	76.91904
"142856"	425.172458	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"2M+2K"	77.926316
"581684"	618.277108	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"3M+2K"	77.926316
"1070941"	232.067808	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2K"	77.926316
"1102213"	465.142892	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2K+H"	78.933592
"1338353"	465.230507	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+DMSO+H"	79.021207
"1006514"	469.269676	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2ACN+H"	83.060376
"1527562"	470.263308	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+IsoProp+Na+H"	84.054008
"1000579"	235.138476	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+2ACN+2H"	84.067652
"1599459"	471.177928	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+K+HCOOH"	84.968628
"1426210"	501.209438	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+H+CF3COOH"	115.000138
"1157592"	255.651751	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+3ACN+2H"	125.094202
"1704956"	518.235985	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+NH4+CF3COOH"	132.026685
"1642794"	523.19138	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+Na+CF3COOH"	136.98208
"1580636"	539.16532	"C14651"	"16alpha17alpha-Epoxy-320-dioxopregn-4-en-21-yl acetate;1617-Epoxydeoxycorticosterone acetate"	"C23H30O5"	"386.2093"	"M+K+CF3COOH"	152.95602
"802253"	300.2089	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M"	0
"977974"	281.19051	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"70590"	199.131990666667	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"507964"	299.201624	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"891238"	99.0623573333333	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"6532"	299.201624	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"449373"	449.306074	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"826085"	149.097174	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"91182"	599.410524	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"526732"	899.619424	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"902346"	299.201624	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"51255"	616.437071	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"498468"	916.645971	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"872990"	316.228171	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"40893"	621.392466	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"479359"	921.601366	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"852784"	321.183566	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1622319"	321.183566	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"99940"	317.189963	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"543875"	467.294413	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"935203"	167.085513	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"274852"	635.387202	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"666179"	935.596102	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1276397"	335.178302	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"20048"	637.366406	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"458514"	937.575306	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"838505"	337.157506	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1556159"	337.157506	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"945868"	345.207094	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"366999"	645.416001	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"347236"	659.431651	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1495337"	359.222751	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"960328"	367.189051	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"113609"	335.178302	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"555722"	485.282752	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1027802"	185.073852	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1248476"	379.127785	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1314205"	381.183772	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1327330"	403.165729	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"917291"	413.194486	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1296187"	449.171164	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1368879"	265.196224	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1383823"	283.2062	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"283637"	601.425076	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"676662"	901.633976	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1351592"	301.216176	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"125855"	301.216176	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"570569"	451.320626	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1038277"	151.111726	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"204634"	201.146542666667	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"645013"	301.216176	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1163989"	101.076909333333	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"424418"	618.451623	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"786071"	918.660523	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1683374"	318.242723	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"330628"	309.7294495	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"723168"	459.8338995	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1477476"	159.6249995	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"393077"	623.407018	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"754322"	923.615918	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1602936"	323.198118	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"314476"	312.207147	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"707176"	462.311597	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1461619"	162.102697	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1053731"	108.404223333333	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1258327"	333.242386	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"380910"	639.380958	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"740085"	939.589858	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1552704"	339.172058	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"306601"	320.194117	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"699024"	470.298567	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1451752"	170.089667	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"235980"	642.451626	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1211604"	342.242726	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1196220"	171.625001	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"194198"	645.38896	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"631938"	945.59786	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1133986"	345.18006	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"174724"	323.198118	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"621212"	473.302568	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1123624"	173.093668	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1402774"	115.731537333333	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1430882"	347.221646	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"225682"	328.23114	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1510106"	361.27369	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"412709"	331.185088	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"774069"	481.289538	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1668577"	181.080638	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"252545"	664.433568	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1225935"	364.224668	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1712798"	364.248193	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1179738"	123.058851333333	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1650233"	369.203588	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"158069"	677.33684	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"598357"	977.54574	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1084810"	377.12794	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"142967"	339.172058	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"582281"	489.276508	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1070323"	189.067608	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1102078"	379.142492	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1337368"	379.230107	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1006992"	383.269276	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1526213"	384.262908	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"1002876"	192.138276	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1597382"	385.177528	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1426320"	415.209038	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1154422"	212.651551	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1705066"	432.235585	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1642904"	437.19098	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1580746"	453.16492	"C14652"	"19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha17beta-diol;17alpha-Ethynylestr-5(10)-ene-3alpha17beta-diol"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"811113"	418.2156	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M"	0
"981365"	399.19721	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-H2O-H"	-19.01839
"72889"	277.803124	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M-3H"	-3.021828
"513544"	417.208324	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M-3H"	-3.021828
"889162"	138.397924	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-3H"	-3.021828
"4457"	417.208324	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M-2H"	-2.014552
"445111"	626.316124	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M-2H"	-2.014552
"827289"	208.100524	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-2H"	-2.014552
"89470"	835.423924	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M-H"	-1.007276
"529027"	1253.639524	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M-H"	-1.007276
"899176"	417.208324	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-H"	-1.007276
"51363"	852.450471	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M-2H+NH4"	16.019271
"495296"	1270.666071	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M-2H+NH4"	16.019271
"869821"	434.234871	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-2H+NH4"	16.019271
"37722"	857.405866	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M-2H+Na"	20.974666
"477281"	1275.621466	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M-2H+Na"	20.974666
"852895"	439.190266	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-2H+Na"	20.974666
"1624617"	439.190266	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Na-2H"	20.974666
"102239"	435.196663	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M-H+Cl"	33.962126
"539612"	644.304463	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M-H+Cl"	33.962126
"934220"	226.088863	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-H+Cl"	33.962126
"274963"	871.400602	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+Cl"	34.969402
"665198"	1289.616202	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+Cl"	34.969402
"1273957"	453.185002	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Cl"	34.969402
"16877"	873.379806	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M-2H+K"	36.948606
"456234"	1291.595406	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M-2H+K"	36.948606
"834606"	455.164206	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-2H+K"	36.948606
"1556027"	455.164206	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+K-2H"	36.948606
"944515"	463.213794	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-H+HCOOH"	44.998194
"363826"	881.429401	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+HCOOH-H"	44.998201
"347344"	895.445051	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+Hac-H"	59.013851
"1495815"	477.229451	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Hac-H"	59.013851
"961897"	485.195751	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-H+NaCOOH"	66.980151
"117364"	453.185002	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+2Cl"	69.938804
"552552"	662.292802	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+2Cl"	69.938804
"1024999"	244.077202	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2Cl"	69.938804
"1246764"	497.134485	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Br"	78.918885
"1312129"	499.190472	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Cl+HCOOH"	80.974872
"1329623"	521.172429	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Cl+NaCOOH"	102.956829
"917401"	531.201186	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M-H+CF3COOH"	112.985586
"1289006"	567.177864	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Cl+CF3COOH"	148.962264
"1368266"	383.202924	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H-2H2O"	-35.012676
"1382816"	401.2129	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H-H2O"	-17.0027
"282957"	837.438476	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+H"	1.007276
"679697"	1255.654076	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+H"	1.007276
"1352150"	419.222876	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H"	1.007276
"127230"	419.222876	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+2H"	2.014552
"567038"	628.330676	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+2H"	2.014552
"1037657"	210.115076	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2H"	2.014552
"204335"	279.817676	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+3H"	3.021828
"648042"	419.222876	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+3H"	3.021828
"1163003"	140.412476	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+3H"	3.021828
"429440"	854.465023	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+NH4"	18.033823
"791529"	1272.680623	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+NH4"	18.033823
"1683485"	436.249423	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+NH4"	18.033823
"330780"	427.7361495	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+H+NH4"	19.041099
"723201"	636.8439495	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+H+NH4"	19.041099
"1477428"	218.6283495	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H+NH4"	19.041099
"392987"	859.420418	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+Na"	22.989218
"754470"	1277.636018	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+Na"	22.989218
"1604678"	441.204818	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Na"	22.989218
"315200"	430.213847	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+H+Na"	23.996494
"707738"	639.321647	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+H+Na"	23.996494
"1461515"	221.106047	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H+Na"	23.996494
"1052902"	147.73979	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2H+Na"	25.00377
"1260260"	451.249086	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+CH3OH+H"	33.033486
"377410"	875.394358	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+K"	38.963158
"749670"	1293.609958	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+K"	38.963158
"1553908"	457.178758	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+K"	38.963158
"306712"	438.200817	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+H+K"	39.970434
"700228"	647.308617	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+H+K"	39.970434
"1445719"	229.093017	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H+K"	39.970434
"236452"	878.465026	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+ACN+H"	42.033826
"1210622"	460.249426	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+ACN+H"	42.033826
"1194870"	230.628351	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+ACN+2H"	43.041102
"192121"	881.40236	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+2Na-H"	44.97116
"630952"	1299.61796	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+2Na-H"	44.97116
"1133362"	463.18676	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2Na-H"	44.97116
"177388"	441.204818	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+2Na"	45.978436
"616949"	650.312618	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+2Na"	45.978436
"1118267"	232.097018	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2Na"	45.978436
"1401792"	155.067104	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H+2Na"	46.985712
"1430873"	465.228346	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H+HCOOH"	47.012746
"220068"	446.23784	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+3H2O+2H"	56.04448
"1509852"	479.28039	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+IsoProp+H"	61.06479
"408623"	449.191788	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+Na+K"	61.952376
"775640"	658.299588	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+Na+K"	61.952376
"1665760"	240.083988	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Na+K"	61.952376
"253021"	900.446968	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+ACN+Na"	64.015768
"1227920"	482.231368	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+ACN+Na"	64.015768
"1713400"	482.254893	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+NH4+HCOOH"	64.039293
"1178787"	162.394418	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+3Na"	68.967654
"1650137"	487.210288	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Na+HCOOH"	68.994688
"157445"	913.35024	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+2K-H"	76.91904
"597615"	1331.56584	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+2K-H"	76.91904
"1087724"	495.13464	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2K-H"	76.91904
"143080"	457.178758	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"2M+2K"	77.926316
"583737"	666.286558	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"3M+2K"	77.926316
"1068772"	248.070958	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2K"	77.926316
"1103653"	497.149192	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2K+H"	78.933592
"1337480"	497.236807	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+DMSO+H"	79.021207
"1007832"	501.275976	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2ACN+H"	83.060376
"1534351"	502.269608	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+IsoProp+Na+H"	84.054008
"1000806"	251.141626	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+2ACN+2H"	84.067652
"1598586"	503.184228	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+K+HCOOH"	84.968628
"1425340"	533.215738	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+H+CF3COOH"	115.000138
"1157813"	271.654901	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+3ACN+2H"	125.094202
"1710645"	550.242285	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+NH4+CF3COOH"	132.026685
"1643016"	555.19768	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+Na+CF3COOH"	136.98208
"1580855"	571.17162	"C14653"	"Descinolone acetonide;21-Deoxytriamcinoline acetonide"	"C24H31FO5"	"418.2156"	"M+K+CF3COOH"	152.95602
"815962"	330.2195	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M"	0
"981479"	311.20111	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"67535"	219.139057333333	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"511470"	329.212224	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"889272"	109.065890666667	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"2381"	329.212224	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"451422"	494.321974	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"826303"	164.102474	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"86296"	659.431724	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"528043"	989.651224	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"905483"	329.212224	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"56940"	676.458271	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"498689"	1006.677771	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"869931"	346.238771	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"31751"	681.413666	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"475206"	1011.633166	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"856286"	351.194166	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1626915"	351.194166	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"104537"	347.200563	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"547014"	512.310313	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"935423"	182.090813	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"277260"	695.408402	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"662758"	1025.627902	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1278076"	365.188902	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"18078"	697.387606	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"456665"	1027.607106	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"833986"	367.168106	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1556132"	367.168106	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"944258"	375.217694	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"364295"	705.437201	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"353285"	719.452851	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1501024"	389.233351	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"963098"	397.199651	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"116379"	365.188902	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"552660"	530.298652	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1024012"	200.079152	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1245413"	409.138385	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1307132"	411.194372	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1326453"	433.176329	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"924073"	443.205086	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1289851"	479.181764	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1368377"	295.206824	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1383801"	313.2168	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"289572"	661.446276	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"677618"	991.665776	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1353603"	331.226776	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"127952"	331.226776	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"569703"	496.336526	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1037771"	166.117026	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"206647"	221.153609333333	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"644500"	331.226776	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1163358"	111.080442666667	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"424685"	678.472823	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"786289"	1008.692323	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1683218"	348.253323	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"331502"	339.7400495	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"727570"	504.8497995	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1481753"	174.6302995	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"397883"	683.428218	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"757056"	1013.647718	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1605517"	353.208718	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"319200"	342.217747	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"711620"	507.327497	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1467627"	177.107997	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1055769"	118.407756666667	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1262552"	363.252986	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"383317"	699.402158	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"740667"	1029.621658	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1542356"	369.182658	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"305730"	350.204717	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"700336"	515.314467	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1447963"	185.094967	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"239480"	702.472826	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1211826"	372.253326	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1195343"	186.630301	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"193324"	705.41016	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"632884"	1035.62966	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1135298"	375.19066	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"174338"	353.208718	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"615966"	518.318468	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1117283"	188.098968	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1405183"	125.735070666667	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1436209"	377.232246	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"227000"	358.24174	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1513972"	391.28429	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"413657"	361.195688	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"775750"	526.305438	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1668799"	196.085938	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"253496"	724.454768	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1227300"	394.235268	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1712896"	394.258793	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1179471"	133.062384666667	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1650457"	399.214188	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"158291"	737.35804	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"598215"	1067.57754	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1085646"	407.13854	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"144651"	369.182658	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"583969"	534.292408	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1070542"	204.072908	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1104856"	409.153092	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1340148"	409.240707	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1013061"	413.279876	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1533374"	414.273508	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"998726"	207.143576	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1592135"	415.188128	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1417794"	445.219638	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1154643"	227.656851	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1707475"	462.246185	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1636567"	467.20158	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1580966"	483.17552	"C14654"	"12alpha-Hydroxyprogesterone;12alpha-Hydroxy-4-pregnene-320-dione"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"811330"	284.214	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M"	0
"981589"	265.19561	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"70925"	188.468724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"508300"	283.206724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"888289"	93.730724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"4677"	283.206724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"452989"	425.313724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"824228"	141.099724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"84220"	567.420724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"524874"	851.634724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"908144"	283.206724	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-H"	-1.007276
"52678"	584.447271	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"497706"	868.661271	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"875146"	300.233271	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"31898"	589.402666	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"475314"	873.616666	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"856396"	305.188666	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1625929"	305.188666	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"105375"	301.195063	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"544208"	443.302063	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"934440"	159.088063	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"275184"	603.397402	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"664691"	887.611402	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1275999"	319.183402	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"17460"	605.376606	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"456530"	889.590606	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"833731"	321.162606	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1557942"	321.162606	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"945098"	329.212194	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"363676"	613.426201	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"356675"	627.441851	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1503322"	343.227851	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"961750"	351.194151	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"115397"	319.183402	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"553135"	461.290402	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1024851"	177.076402	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1248805"	363.132885	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1310158"	365.188872	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1326563"	387.170829	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"924183"	397.199586	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1290325"	433.176264	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1367393"	249.201324	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1383304"	267.2113	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"283114"	569.435276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H"	1.007276
"678092"	853.649276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1352618"	285.221276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H"	1.007276
"131339"	285.221276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"569810"	427.328276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1044078"	143.114276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2H"	2.014552
"209793"	190.483276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"644980"	285.221276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1163467"	95.745276	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+3H"	3.021828
"424673"	586.461823	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"786763"	870.675823	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1682239"	302.247823	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"331613"	293.7345495	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"728044"	435.8415495	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1480406"	151.6275495	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"400180"	591.417218	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"761175"	875.631218	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1607086"	307.203218	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na"	22.989218
"321497"	296.212247	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"715010"	438.319247	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1467737"	154.105247	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1055879"	103.07259	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1262662"	317.247486	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"383427"	607.391158	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+K"	38.963158
"743329"	891.605158	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1544654"	323.177158	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+K"	38.963158
"306932"	304.199217	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"700446"	446.306217	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1448073"	162.092217	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"241778"	610.461826	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1212664"	326.247826	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1196546"	163.627551	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"194526"	613.39916	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"631900"	897.61316	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1132372"	329.18516	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"177608"	307.203218	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"616076"	449.310218	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1117515"	165.096218	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1405293"	110.399904	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1437412"	331.226746	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"229295"	312.23624	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1511893"	345.27879	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"413766"	315.190188	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"771483"	457.297188	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1665719"	173.083188	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"254335"	632.443768	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1229229"	348.229768	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1712888"	348.253293	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1179579"	117.727218	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1651533"	353.208688	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"157911"	645.34704	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"597351"	929.56104	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1084784"	361.13304	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"143303"	323.177158	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"582867"	465.284158	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1070044"	181.070158	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1107153"	363.147592	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1340258"	363.235207	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1012077"	367.274376	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1533484"	368.268008	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"998837"	184.140826	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1593338"	369.182628	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1417904"	399.214138	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1154753"	204.654101	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1704305"	416.240685	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1636677"	421.19608	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1581076"	437.17002	"C14655"	"1717-Dimethyl-18-norandrosta-413-dien-3-one"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"811440"	239.0946	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M"	0
"988989"	220.07621	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H2O-H"	-19.01839
"71036"	158.389124	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-3H"	-3.021828
"513878"	238.087324	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-3H"	-3.021828
"888401"	78.690924	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-3H"	-3.021828
"1508"	238.087324	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H"	-2.014552
"448726"	357.634624	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H"	-2.014552
"825432"	118.540024	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H"	-2.014552
"91622"	477.181924	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-H"	-1.007276
"528267"	716.276524	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-H"	-1.007276
"904973"	238.087324	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H"	-1.007276
"53882"	494.208471	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+NH4"	16.019271
"496723"	733.303071	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+NH4"	16.019271
"870154"	255.113871	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+NH4"	16.019271
"33186"	499.163866	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+Na"	20.974666
"475424"	738.258466	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+Na"	20.974666
"856505"	260.069266	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+Na"	20.974666
"1623851"	260.069266	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na-2H"	20.974666
"99287"	256.075663	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-H+Cl"	33.962126
"543224"	375.622963	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-H+Cl"	33.962126
"934551"	136.528363	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+Cl"	33.962126
"275294"	513.158602	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Cl"	34.969402
"662978"	752.253202	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Cl"	34.969402
"1274282"	274.064002	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl"	34.969402
"17446"	515.137806	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+K"	36.948606
"456759"	754.232406	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+K"	36.948606
"834571"	276.043206	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+K"	36.948606
"1557322"	276.043206	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K-2H"	36.948606
"945935"	284.092794	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+HCOOH"	44.998194
"362081"	523.187401	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+HCOOH-H"	44.998201
"354598"	537.203051	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Hac-H"	59.013851
"1500151"	298.108451	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Hac-H"	59.013851
"963317"	306.074751	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+NaCOOH"	66.980151
"116600"	274.064002	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Cl"	69.938804
"552151"	393.611302	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Cl"	69.938804
"1026054"	154.516702	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Cl"	69.938804
"1248915"	318.013485	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Br"	78.918885
"1307716"	320.069472	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+HCOOH"	80.974872
"1324848"	342.051429	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+NaCOOH"	102.956829
"921013"	352.080186	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+CF3COOH"	112.985586
"1290435"	388.056864	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+CF3COOH"	148.962264
"1368959"	204.081924	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H-2H2O"	-35.012676
"1386456"	222.0919	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H-H2O"	-17.0027
"285415"	479.196476	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H"	1.007276
"678202"	718.291076	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H"	1.007276
"1352362"	240.101876	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H"	1.007276
"128533"	240.101876	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2H"	2.014552
"568827"	359.649176	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2H"	2.014552
"1043093"	120.554576	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2H"	2.014552
"213183"	160.403676	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+3H"	3.021828
"644840"	240.101876	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+3H"	3.021828
"1164062"	80.705476	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+3H"	3.021828
"425391"	496.223023	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+NH4"	18.033823
"787359"	735.317623	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+NH4"	18.033823
"1682715"	257.128423	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4"	18.033823
"331723"	248.6151495	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+NH4"	19.041099
"728885"	368.1624495	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+NH4"	19.041099
"1482338"	129.0678495	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+NH4"	19.041099
"401384"	501.178418	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Na"	22.989218
"758006"	740.273018	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Na"	22.989218
"1606467"	262.083818	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na"	22.989218
"321607"	251.092847	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+Na"	23.996494
"712935"	370.640147	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+Na"	23.996494
"1470035"	131.545547	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+Na"	23.996494
"1059999"	88.03279	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2H+Na"	25.00377
"1261679"	272.128086	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+CH3OH+H"	33.033486
"383537"	517.152358	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+K"	38.963158
"743439"	756.246958	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+K"	38.963158
"1544400"	278.057758	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K"	38.963158
"307042"	259.079817	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+K"	39.970434
"700556"	378.627117	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+K"	39.970434
"1451101"	139.532517	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+K"	39.970434
"240794"	520.223026	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+H"	42.033826
"1212043"	281.128426	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+H"	42.033826
"1196291"	141.067851	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+2H"	43.041102
"190258"	523.16036	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na-H"	44.97116
"630673"	762.25496	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na-H"	44.97116
"1133693"	284.06576	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Na-H"	44.97116
"174801"	262.083818	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na"	45.978436
"615335"	381.631118	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na"	45.978436
"1118232"	142.536518	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Na"	45.978436
"1399569"	95.360104	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+2Na"	46.985712
"1437522"	286.107346	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+HCOOH"	47.012746
"228312"	267.11684	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+3H2O+2H"	56.04448
"1515284"	300.15939	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+H"	61.06479
"414969"	270.070788	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Na+K"	61.952376
"775965"	389.618088	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Na+K"	61.952376
"1666830"	150.523488	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+K"	61.952376
"256632"	542.204968	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+Na"	64.015768
"1227154"	303.110368	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+Na"	64.015768
"1713851"	303.133893	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+HCOOH"	64.039293
"1180660"	102.687418	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+3Na"	68.967654
"1652738"	308.089288	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+HCOOH"	68.994688
"160328"	555.10824	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2K-H"	76.91904
"598073"	794.20284	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2K-H"	76.91904
"1085866"	316.01364	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K-H"	76.91904
"144506"	278.057758	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2K"	77.926316
"583704"	397.605058	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2K"	77.926316
"1070762"	158.510458	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K"	77.926316
"1101305"	318.028192	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K+H"	78.933592
"1340368"	318.115807	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+DMSO+H"	79.021207
"1012188"	322.154976	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+H"	83.060376
"1535416"	323.148608	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+Na+H"	84.054008
"998947"	161.581126	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+2H"	84.067652
"1596729"	324.063228	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K+HCOOH"	84.968628
"1419108"	354.094738	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+CF3COOH"	115.000138
"1154863"	182.094401	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+3ACN+2H"	125.094202
"1704415"	371.121285	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+CF3COOH"	132.026685
"1640067"	376.07668	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+CF3COOH"	136.98208
"1581186"	392.05062	"C14656"	"3-Hydroxy-2-acetamidofluorene;N-(3-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K+CF3COOH"	152.95602
"811550"	282.1045	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M"	0
"985086"	263.08611	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-H2O-H"	-19.01839
"71146"	187.062390666667	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M-3H"	-3.021828
"510708"	281.097224	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M-3H"	-3.021828
"889604"	93.0275573333333	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-3H"	-3.021828
"1618"	281.097224	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M-2H"	-2.014552
"448835"	422.149474	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M-2H"	-2.014552
"825542"	140.044974	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-2H"	-2.014552
"92096"	563.201724	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M-H"	-1.007276
"529470"	845.306224	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M-H"	-1.007276
"905084"	281.097224	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-H"	-1.007276
"53992"	580.228271	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M-2H+NH4"	16.019271
"494647"	862.332771	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M-2H+NH4"	16.019271
"872450"	298.123771	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-2H+NH4"	16.019271
"33297"	585.183666	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M-2H+Na"	20.974666
"474805"	867.288166	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M-2H+Na"	20.974666
"855522"	303.079166	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-2H+Na"	20.974666
"1623961"	303.079166	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Na-2H"	20.974666
"102676"	299.085563	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M-H+Cl"	33.962126
"540053"	440.137813	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M-H+Cl"	33.962126
"934658"	158.033313	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-H+Cl"	33.962126
"274311"	599.178402	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+Cl"	34.969402
"664910"	881.282902	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+Cl"	34.969402
"1273424"	317.073902	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Cl"	34.969402
"16095"	601.157606	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M-2H+K"	36.948606
"456100"	883.262106	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M-2H+K"	36.948606
"833344"	319.053106	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-2H+K"	36.948606
"1556824"	319.053106	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+K-2H"	36.948606
"943615"	327.102694	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-H+HCOOH"	44.998194
"362558"	609.207201	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+HCOOH-H"	44.998201
"353615"	623.222851	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+Hac-H"	59.013851
"1501353"	341.118351	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Hac-H"	59.013851
"963793"	349.084651	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-H+NaCOOH"	66.980151
"114157"	317.073902	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+2Cl"	69.938804
"554084"	458.126152	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+2Cl"	69.938804
"1027257"	176.021652	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2Cl"	69.938804
"1251212"	361.023385	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Br"	78.918885
"1307827"	363.079372	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Cl+HCOOH"	80.974872
"1322771"	385.061329	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Cl+NaCOOH"	102.956829
"922216"	395.090086	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M-H+CF3COOH"	112.985586
"1291268"	431.066764	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Cl+CF3COOH"	148.962264
"1369798"	247.091824	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H-2H2O"	-35.012676
"1384742"	265.1018	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H-H2O"	-17.0027
"285160"	565.216276	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+H"	1.007276
"677945"	847.320776	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+H"	1.007276
"1352472"	283.111776	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H"	1.007276
"128642"	283.111776	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+2H"	2.014552
"570030"	424.164026	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+2H"	2.014552
"1044297"	142.059526	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2H"	2.014552
"210012"	189.076942666667	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+3H"	3.021828
"644384"	283.111776	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+3H"	3.021828
"1163808"	95.0421093333333	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+3H"	3.021828
"424530"	582.242823	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+NH4"	18.033823
"786862"	864.347323	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+NH4"	18.033823
"1683190"	300.138323	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+NH4"	18.033823
"331105"	291.6250495	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+H+NH4"	19.041099
"731182"	432.6772995	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+H+NH4"	19.041099
"1481720"	150.5727995	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H+NH4"	19.041099
"398212"	587.198218	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+Na"	22.989218
"759209"	869.302718	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+Na"	22.989218
"1604268"	305.093718	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Na"	22.989218
"321716"	294.102747	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+H+Na"	23.996494
"714137"	435.154997	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+H+Na"	23.996494
"1469051"	153.050497	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H+Na"	23.996494
"1059015"	102.369423333333	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2H+Na"	25.00377
"1261790"	315.137986	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+CH3OH+H"	33.033486
"383647"	603.172158	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+K"	38.963158
"743549"	885.276658	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+K"	38.963158
"1548883"	321.067658	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+K"	38.963158
"309338"	302.089717	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+H+K"	39.970434
"701760"	443.141967	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+H+K"	39.970434
"1453395"	161.037467	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H+K"	39.970434
"244183"	606.242826	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+ACN+H"	42.033826
"1214340"	324.138326	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+ACN+H"	42.033826
"1195307"	162.572801	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+ACN+2H"	43.041102
"189637"	609.18016	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+2Na-H"	44.97116
"628872"	891.28466	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+2Na-H"	44.97116
"1133074"	327.07566	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2Na-H"	44.97116
"174903"	305.093718	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+2Na"	45.978436
"613053"	446.145968	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+2Na"	45.978436
"1115788"	164.041468	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2Na"	45.978436
"1400040"	109.696737333333	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H+2Na"	46.985712
"1432528"	329.117246	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H+HCOOH"	47.012746
"228422"	310.12674	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+3H2O+2H"	56.04448
"1514300"	343.16929	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+IsoProp+H"	61.06479
"415079"	313.080688	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+Na+K"	61.952376
"777168"	454.132938	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+Na+K"	61.952376
"1669126"	172.028438	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Na+K"	61.952376
"257835"	628.224768	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+ACN+Na"	64.015768
"1228357"	346.120268	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+ACN+Na"	64.015768
"1713963"	346.143793	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+NH4+HCOOH"	64.039293
"1179678"	117.024051333333	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+3Na"	68.967654
"1651028"	351.099188	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Na+HCOOH"	68.994688
"158494"	641.12804	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+2K-H"	76.91904
"598306"	923.23254	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+2K-H"	76.91904
"1084884"	359.02354	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2K-H"	76.91904
"142428"	321.067658	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"2M+2K"	77.926316
"584906"	462.119908	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"3M+2K"	77.926316
"1070629"	180.015408	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2K"	77.926316
"1101780"	361.038092	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2K+H"	78.933592
"1338291"	361.125707	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+DMSO+H"	79.021207
"1015576"	365.164876	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2ACN+H"	83.060376
"1533703"	366.158508	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+IsoProp+Na+H"	84.054008
"999059"	183.086076	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+2ACN+2H"	84.067652
"1596839"	367.073128	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+K+HCOOH"	84.968628
"1420311"	397.104638	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+H+CF3COOH"	115.000138
"1154973"	203.599351	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+3ACN+2H"	125.094202
"1705618"	414.131185	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+NH4+CF3COOH"	132.026685
"1640177"	419.08658	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+Na+CF3COOH"	136.98208
"1581296"	435.06052	"C14657"	"23-Diphenyl-1-indanone;23-Diphenyl-1H-inden-1-one;23-Diphenylindone"	"C21H14O"	"282.1045"	"M+K+CF3COOH"	152.95602
"811660"	358.2508	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M"	0
"985196"	339.23241	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-H2O-H"	-19.01839
"71256"	237.826590666667	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M-3H"	-3.021828
"510819"	357.243524	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M-3H"	-3.021828
"889715"	118.409657333333	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-3H"	-3.021828
"13761"	357.243524	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M-2H"	-2.014552
"452955"	536.368924	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M-2H"	-2.014552
"829663"	178.118124	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-2H"	-2.014552
"90020"	715.494324	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M-H"	-1.007276
"527393"	1073.745124	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M-H"	-1.007276
"903007"	357.243524	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-H"	-1.007276
"56289"	732.520871	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M-2H+NH4"	16.019271
"496581"	1090.771671	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M-2H+NH4"	16.019271
"871467"	374.270071	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-2H+NH4"	16.019271
"33897"	737.476266	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M-2H+Na"	20.974666
"478925"	1095.727066	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M-2H+Na"	20.974666
"856725"	379.225466	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-2H+Na"	20.974666
"1627351"	379.225466	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Na-2H"	20.974666
"100599"	375.231863	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M-H+Cl"	33.962126
"537976"	554.357263	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M-H+Cl"	33.962126
"933675"	196.106463	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-H+Cl"	33.962126
"273328"	751.471002	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+Cl"	34.969402
"665020"	1109.721802	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+Cl"	34.969402
"1273049"	393.220202	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Cl"	34.969402
"17792"	753.450206	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M-2H+K"	36.948606
"456166"	1111.701006	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M-2H+K"	36.948606
"833017"	395.199406	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-2H+K"	36.948606
"1556207"	395.199406	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+K-2H"	36.948606
"945794"	403.248994	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-H+HCOOH"	44.998194
"367290"	761.499801	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+HCOOH-H"	44.998201
"353726"	775.515451	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+Hac-H"	59.013851
"1500372"	417.264651	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Hac-H"	59.013851
"966819"	425.230951	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-H+NaCOOH"	66.980151
"120100"	393.220202	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+2Cl"	69.938804
"554194"	572.345602	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+2Cl"	69.938804
"1028096"	214.094802	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2Cl"	69.938804
"1245853"	437.169685	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Br"	78.918885
"1309030"	439.225672	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Cl+HCOOH"	80.974872
"1321058"	461.207629	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Cl+NaCOOH"	102.956829
"917952"	471.236386	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M-H+CF3COOH"	112.985586
"1289555"	507.213064	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Cl+CF3COOH"	148.962264
"1369907"	323.238124	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H-2H2O"	-35.012676
"1384852"	341.2481	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H-H2O"	-17.0027
"284906"	717.508876	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+H"	1.007276
"677327"	1075.759676	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+H"	1.007276
"1352949"	359.258076	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H"	1.007276
"131669"	359.258076	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+2H"	2.014552
"572327"	538.383476	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+2H"	2.014552
"1045501"	180.132676	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2H"	2.014552
"212309"	239.841142666667	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+3H"	3.021828
"649686"	359.258076	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+3H"	3.021828
"1163437"	120.424209333333	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+3H"	3.021828
"428896"	734.535423	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+NH4"	18.033823
"789888"	1092.786223	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+NH4"	18.033823
"1686220"	376.284623	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+NH4"	18.033823
"335589"	367.7713495	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+H+NH4"	19.041099
"732385"	546.8967495	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+H+NH4"	19.041099
"1486204"	188.6459495	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H+NH4"	19.041099
"403790"	739.490818	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+Na"	22.989218
"760412"	1097.741618	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+Na"	22.989218
"1607416"	381.240018	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Na"	22.989218
"322920"	370.249047	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+H+Na"	23.996494
"716070"	549.374447	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+H+Na"	23.996494
"1469891"	191.123647	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H+Na"	23.996494
"1060219"	127.751523333333	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2H+Na"	25.00377
"1264088"	391.284286	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+CH3OH+H"	33.033486
"383757"	755.464758	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+K"	38.963158
"746939"	1113.715558	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+K"	38.963158
"1548993"	397.213958	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+K"	38.963158
"310178"	378.236017	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+H+K"	39.970434
"702600"	557.361417	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+H+K"	39.970434
"1455327"	199.110617	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H+K"	39.970434
"243199"	758.535426	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+ACN+H"	42.033826
"1213720"	400.284626	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+ACN+H"	42.033826
"1195782"	200.645951	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+ACN+2H"	43.041102
"188853"	761.47276	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+2Na-H"	44.97116
"629671"	1119.72356	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+2Na-H"	44.97116
"1132817"	403.22196	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2Na-H"	44.97116
"173388"	381.240018	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+2Na"	45.978436
"613124"	560.365418	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+2Na"	45.978436
"1116016"	202.114618	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2Na"	45.978436
"1399422"	135.078837333333	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H+2Na"	46.985712
"1429940"	405.263546	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H+HCOOH"	47.012746
"225251"	386.27304	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+3H2O+2H"	56.04448
"1514408"	419.31559	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+IsoProp+H"	61.06479
"415189"	389.226988	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+Na+K"	61.952376
"774726"	568.352388	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+Na+K"	61.952376
"1667776"	210.101588	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Na+K"	61.952376
"252841"	780.517368	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+ACN+Na"	64.015768
"1228100"	422.266568	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+ACN+Na"	64.015768
"1713708"	422.290093	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+NH4+HCOOH"	64.039293
"1180151"	142.406151333333	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+3Na"	68.967654
"1651500"	427.245488	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Na+HCOOH"	68.994688
"158000"	793.42064	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+2K-H"	76.91904
"597441"	1151.67144	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+2K-H"	76.91904
"1084748"	435.16984	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2K-H"	76.91904
"142898"	397.213958	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"2M+2K"	77.926316
"584652"	576.339358	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"3M+2K"	77.926316
"1069523"	218.088558	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2K"	77.926316
"1103106"	437.184392	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2K+H"	78.933592
"1337429"	437.272007	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+DMSO+H"	79.021207
"1015686"	441.311176	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2ACN+H"	83.060376
"1533812"	442.304808	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+IsoProp+Na+H"	84.054008
"1000263"	221.159226	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+2ACN+2H"	84.067652
"1598044"	443.219428	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+K+HCOOH"	84.968628
"1424795"	473.250938	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+H+CF3COOH"	115.000138
"1155083"	241.672501	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+3ACN+2H"	125.094202
"1705728"	490.277485	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+NH4+CF3COOH"	132.026685
"1640287"	495.23288	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+Na+CF3COOH"	136.98208
"1581406"	511.20682	"C14658"	"Pregnenolone acetate;3beta-Hydroxypregn-5-en-20-one acetate"	"C23H34O3"	"358.2508"	"M+K+CF3COOH"	152.95602
"811771"	274.1569	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M"	0
"985306"	255.13851	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-H2O-H"	-19.01839
"73552"	181.763990666667	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M-3H"	-3.021828
"510925"	273.149624	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M-3H"	-3.021828
"886542"	90.3783573333333	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-3H"	-3.021828
"12046"	273.149624	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M-2H"	-2.014552
"449056"	410.228074	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M-2H"	-2.014552
"830143"	136.071174	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-2H"	-2.014552
"90133"	547.306524	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M-H"	-1.007276
"528600"	821.463424	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M-H"	-1.007276
"905309"	273.149624	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-H"	-1.007276
"55308"	564.333071	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M-2H+NH4"	16.019271
"495598"	838.489971	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M-2H+NH4"	16.019271
"877046"	290.176171	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-2H+NH4"	16.019271
"42758"	569.288466	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M-2H+Na"	20.974666
"476849"	843.445366	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M-2H+Na"	20.974666
"861944"	295.131566	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-2H+Na"	20.974666
"1625280"	295.131566	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Na-2H"	20.974666
"102902"	291.137963	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M-H+Cl"	33.962126
"541369"	428.216413	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M-H+Cl"	33.962126
"932695"	154.059513	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-H+Cl"	33.962126
"273440"	583.283202	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+Cl"	34.969402
"665862"	857.440102	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+Cl"	34.969402
"1277169"	309.126302	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Cl"	34.969402
"19725"	585.262406	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M-2H+K"	36.948606
"458923"	859.419306	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M-2H+K"	36.948606
"833808"	311.105506	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-2H+K"	36.948606
"1555706"	311.105506	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+K-2H"	36.948606
"945542"	319.155094	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-H+HCOOH"	44.998194
"364485"	593.312001	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+HCOOH-H"	44.998201
"349096"	607.327651	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+Hac-H"	59.013851
"1498660"	333.170751	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Hac-H"	59.013851
"962555"	341.137051	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-H+NaCOOH"	66.980151
"117295"	309.126302	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+2Cl"	69.938804
"557587"	446.204752	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+2Cl"	69.938804
"1028206"	172.047852	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2Cl"	69.938804
"1248515"	353.075785	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Br"	78.918885
"1310599"	355.131772	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Cl+HCOOH"	80.974872
"1320316"	377.113729	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Cl+NaCOOH"	102.956829
"915875"	387.142486	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M-H+CF3COOH"	112.985586
"1292221"	423.119164	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Cl+CF3COOH"	148.962264
"1372210"	239.144224	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H-2H2O"	-35.012676
"1383258"	257.1542	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H-H2O"	-17.0027
"287570"	549.321076	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+H"	1.007276
"681451"	823.477976	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+H"	1.007276
"1356706"	275.164176	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H"	1.007276
"132509"	275.164176	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+2H"	2.014552
"567334"	412.242626	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+2H"	2.014552
"1041236"	138.085726	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2H"	2.014552
"209138"	183.778542666667	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+3H"	3.021828
"646515"	275.164176	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+3H"	3.021828
"1164640"	92.3929093333333	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+3H"	3.021828
"430099"	566.347623	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+NH4"	18.033823
"792184"	840.504523	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+NH4"	18.033823
"1684141"	292.190723	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+NH4"	18.033823
"333512"	283.6774495	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+H+NH4"	19.041099
"733587"	420.7558995	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+H+NH4"	19.041099
"1484126"	146.5989995	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H+NH4"	19.041099
"404995"	571.303018	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+Na"	22.989218
"761615"	845.459918	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+Na"	22.989218
"1608620"	297.146118	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Na"	22.989218
"320845"	286.155147	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+H+Na"	23.996494
"712172"	423.233597	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+H+Na"	23.996494
"1464899"	149.076697	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H+Na"	23.996494
"1057054"	99.7202233333333	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2H+Na"	25.00377
"1266388"	307.190386	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+CH3OH+H"	33.033486
"383870"	587.276958	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+K"	38.963158
"745957"	861.433858	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+K"	38.963158
"1546918"	313.120058	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+K"	38.963158
"307374"	294.142117	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+H+K"	39.970434
"699798"	431.220567	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+H+K"	39.970434
"1454709"	157.063667	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H+K"	39.970434
"246592"	590.347626	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+ACN+H"	42.033826
"1219300"	316.190726	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+ACN+H"	42.033826
"1197349"	158.599001	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+ACN+2H"	43.041102
"193500"	593.28496	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+2Na-H"	44.97116
"630874"	867.44186	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+2Na-H"	44.97116
"1131791"	319.12806	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2Na-H"	44.97116
"174401"	297.146118	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+2Na"	45.978436
"613232"	434.224568	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+2Na"	45.978436
"1117471"	160.067668	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2Na"	45.978436
"1402454"	107.047537333333	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H+2Na"	46.985712
"1434568"	321.169646	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H+HCOOH"	47.012746
"220379"	302.17914	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+3H2O+2H"	56.04448
"1513425"	335.22169	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+IsoProp+H"	61.06479
"412748"	305.133088	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+Na+K"	61.952376
"775203"	442.211538	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+Na+K"	61.952376
"1669347"	168.054638	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Na+K"	61.952376
"255868"	612.329568	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+ACN+Na"	64.015768
"1226389"	338.172668	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+ACN+Na"	64.015768
"1714184"	338.196193	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+NH4+HCOOH"	64.039293
"1179533"	114.374851333333	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+3Na"	68.967654
"1651247"	343.151588	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Na+HCOOH"	68.994688
"158232"	625.23284	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+2K-H"	76.91904
"597469"	899.38974	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+2K-H"	76.91904
"1084614"	351.07594	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2K-H"	76.91904
"142887"	313.120058	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"2M+2K"	77.926316
"583791"	450.198508	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"3M+2K"	77.926316
"1069396"	176.041608	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2K"	77.926316
"1101516"	353.090492	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2K+H"	78.933592
"1336809"	353.178107	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+DMSO+H"	79.021207
"1014703"	357.217276	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2ACN+H"	83.060376
"1533917"	358.210908	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+IsoProp+Na+H"	84.054008
"999276"	179.112276	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+2ACN+2H"	84.067652
"1593775"	359.125528	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+K+HCOOH"	84.968628
"1418342"	389.157038	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+H+CF3COOH"	115.000138
"1155192"	199.625551	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+3ACN+2H"	125.094202
"1702557"	406.183585	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+NH4+CF3COOH"	132.026685
"1640397"	411.13898	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+Na+CF3COOH"	136.98208
"1581516"	427.11292	"C14660"	"Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid"	"C17H22O3"	"274.1569"	"M+K+CF3COOH"	152.95602
"815045"	314.2246	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M"	0
"988699"	295.20621	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"76819"	208.475790666667	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"512130"	313.217324	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"886653"	103.734257333333	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"14473"	313.217324	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"450262"	470.329624	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"825877"	156.105024	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"92918"	627.441924	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"532480"	941.666524	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"904325"	313.217324	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"62227"	644.468471	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"500815"	958.693071	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"878742"	330.243871	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"41775"	649.423866	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"481336"	963.648466	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"859138"	335.199266	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1631951"	335.199266	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"101189"	331.205663	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"546947"	488.317963	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"939369"	174.093363	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"277926"	663.418602	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"671440"	977.643202	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1282750"	349.194002	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"21295"	665.397806	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"456842"	979.622406	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"833469"	351.173206	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1562142"	351.173206	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"947473"	359.222794	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"366782"	673.447401	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"349937"	687.463051	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1497315"	373.238451	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"963399"	381.204751	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"111576"	349.194002	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"553325"	506.306302	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1025040"	192.081702	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1249722"	393.143485	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1310348"	395.199472	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1327844"	417.181429	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"915623"	427.210186	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1292696"	463.186864	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1371956"	279.211924	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1388723"	297.2219	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"295700"	629.456476	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"682655"	943.681076	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1357909"	315.231876	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"130069"	315.231876	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"574736"	472.344176	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1043536"	158.119576	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"215812"	210.490342666667	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"652093"	315.231876	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1169125"	105.748809333333	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"429115"	646.483023	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"790112"	960.707623	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1687533"	332.258423	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"337997"	323.7451495	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"730419"	480.8574495	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1484238"	166.6328495	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"398545"	651.438418	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"758446"	965.663018	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1604723"	337.213818	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"317676"	326.222847	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"712285"	483.335147	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1467199"	169.110547	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1063727"	113.076123333333	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1265406"	347.258086	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"388356"	667.412358	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"748259"	981.636958	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1551405"	353.187758	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"310767"	334.209817	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"701002"	491.322117	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1450447"	177.097517	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"239411"	670.483026	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1213212"	356.258426	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1196733"	178.632851	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"190699"	673.42036	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"629531"	987.64496	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1137052"	359.19576	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"174878"	337.213818	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"616264"	494.326118	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1120864"	180.101518	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1402566"	120.403437333333	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1435045"	361.237346	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"223653"	342.24684	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1516819"	375.28939	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"420879"	345.200788	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"781875"	502.313088	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1676018"	188.088488	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"262540"	692.464968	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1235249"	378.240368	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1716484"	378.263893	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1182932"	127.730751333333	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1653916"	383.219288	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"162969"	705.36824	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"609094"	1019.59284	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1091416"	391.14364	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"152244"	353.187758	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"591442"	510.300058	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1078142"	196.075458	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1105522"	393.158192	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1342999"	393.245807	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1010438"	397.284976	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1530750"	398.278608	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"998288"	199.146126	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1590604"	399.193228	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1419545"	429.224738	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1155303"	219.659401	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1702667"	446.251285	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1640507"	451.20668	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1581626"	467.18062	"C14661"	"3-Methoxy-19-nor-17alpha-pregna-135(10)-trien-17beta-ol;17alpha-Ethyl-17beta-estradiol 3-methyl ether"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"815272"	225.079	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M"	0
"982246"	206.06061	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-H2O-H"	-19.01839
"74862"	149.045390666667	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M-3H"	-3.021828
"513331"	224.071724	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M-3H"	-3.021828
"886763"	74.0190573333333	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-3H"	-3.021828
"13731"	224.071724	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M-2H"	-2.014552
"454142"	336.611224	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M-2H"	-2.014552
"830362"	111.532224	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-2H"	-2.014552
"92910"	449.150724	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M-H"	-1.007276
"532711"	674.229724	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M-H"	-1.007276
"905528"	224.071724	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-H"	-1.007276
"60636"	466.177271	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M-2H+NH4"	16.019271
"500316"	691.256271	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M-2H+NH4"	16.019271
"878242"	241.098271	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-2H+NH4"	16.019271
"45775"	471.132666	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M-2H+Na"	20.974666
"483633"	696.211666	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M-2H+Na"	20.974666
"862528"	246.053666	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-2H+Na"	20.974666
"1630968"	246.053666	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Na-2H"	20.974666
"104214"	242.060063	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M-H+Cl"	33.962126
"544868"	354.599563	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M-H+Cl"	33.962126
"938383"	129.520563	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-H+Cl"	33.962126
"280223"	485.127402	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+Cl"	34.969402
"669362"	710.206402	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+Cl"	34.969402
"1282860"	260.048402	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Cl"	34.969402
"19218"	487.106606	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M-2H+K"	36.948606
"457684"	712.185606	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M-2H+K"	36.948606
"834391"	262.027606	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-2H+K"	36.948606
"1560065"	262.027606	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+K-2H"	36.948606
"948312"	270.077194	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-H+HCOOH"	44.998194
"364705"	495.156201	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+HCOOH-H"	44.998201
"350047"	509.171851	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+Hac-H"	59.013851
"1498152"	284.092851	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Hac-H"	59.013851
"965331"	292.059151	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-H+NaCOOH"	66.980151
"118978"	260.048402	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+2Cl"	69.938804
"554162"	372.587902	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+2Cl"	69.938804
"1028795"	147.508902	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2Cl"	69.938804
"1245821"	303.997885	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Br"	78.918885
"1304338"	306.053872	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Cl+HCOOH"	80.974872
"1324307"	328.035829	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Cl+NaCOOH"	102.956829
"912082"	338.064586	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M-H+CF3COOH"	112.985586
"1288955"	374.041264	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Cl+CF3COOH"	148.962264
"1372066"	190.066324	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H-2H2O"	-35.012676
"1385189"	208.0763	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H-H2O"	-17.0027
"292530"	451.165276	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+H"	1.007276
"682765"	676.244276	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+H"	1.007276
"1356926"	226.086276	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H"	1.007276
"134189"	226.086276	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+2H"	2.014552
"573752"	338.625776	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+2H"	2.014552
"1045830"	113.546776	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2H"	2.014552
"211548"	151.059942666667	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+3H"	3.021828
"651109"	226.086276	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+3H"	3.021828
"1172515"	76.0336093333333	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+3H"	3.021828
"428133"	468.191823	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+NH4"	18.033823
"789129"	693.270823	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+NH4"	18.033823
"1689832"	243.112823	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+NH4"	18.033823
"339201"	234.5995495	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+H+NH4"	19.041099
"732716"	347.1390495	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+H+NH4"	19.041099
"1484349"	122.0600495	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H+NH4"	19.041099
"400842"	473.147218	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+Na"	22.989218
"761836"	698.226218	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+Na"	22.989218
"1607749"	248.068218	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Na"	22.989218
"319974"	237.077247	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+H+Na"	23.996494
"716768"	349.616747	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+H+Na"	23.996494
"1469497"	124.537747	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H+Na"	23.996494
"1063837"	83.3609233333333	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2H+Na"	25.00377
"1269526"	258.112486	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+CH3OH+H"	33.033486
"391748"	489.121158	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+K"	38.963158
"751650"	714.200158	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+K"	38.963158
"1555432"	264.042158	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+K"	38.963158
"311972"	245.064217	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+H+K"	39.970434
"701114"	357.603717	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+H+K"	39.970434
"1451651"	132.524717	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H+K"	39.970434
"241346"	492.191826	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+ACN+H"	42.033826
"1213324"	267.112826	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+ACN+H"	42.033826
"1197210"	134.060051	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+ACN+2H"	43.041102
"190444"	495.12916	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+2Na-H"	44.97116
"629760"	720.20816	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+2Na-H"	44.97116
"1136068"	270.05016	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2Na-H"	44.97116
"174988"	248.068218	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+2Na"	45.978436
"616007"	360.607718	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+2Na"	45.978436
"1119514"	135.528718	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2Na"	45.978436
"1405591"	90.6882373333333	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H+2Na"	46.985712
"1435519"	272.091746	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H+HCOOH"	47.012746
"227771"	253.10124	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+3H2O+2H"	56.04448
"1518021"	286.14379	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+IsoProp+H"	61.06479
"417709"	256.055188	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+Na+K"	61.952376
"778705"	368.594688	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+Na+K"	61.952376
"1675035"	143.515688	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Na+K"	61.952376
"261556"	514.173768	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+ACN+Na"	64.015768
"1233172"	289.094768	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+ACN+Na"	64.015768
"1717688"	289.118293	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+NH4+HCOOH"	64.039293
"1181219"	98.0155513333333	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+3Na"	68.967654
"1651475"	294.073688	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Na+HCOOH"	68.994688
"158095"	527.07704	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+2K-H"	76.91904
"607014"	752.15604	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+2K-H"	76.91904
"1090067"	301.99804	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2K-H"	76.91904
"152717"	264.042158	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"2M+2K"	77.926316
"591552"	376.581658	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"3M+2K"	77.926316
"1077887"	151.502658	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2K"	77.926316
"1107819"	304.012592	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2K+H"	78.933592
"1343109"	304.100207	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+DMSO+H"	79.021207
"1013828"	308.139376	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2ACN+H"	83.060376
"1535597"	309.133008	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+IsoProp+Na+H"	84.054008
"997305"	154.573326	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+2ACN+2H"	84.067652
"1590714"	310.047628	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+K+HCOOH"	84.968628
"1417469"	340.079138	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+H+CF3COOH"	115.000138
"1153227"	175.086601	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+3ACN+2H"	125.094202
"1702777"	357.105685	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+NH4+CF3COOH"	132.026685
"1640617"	362.06108	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+Na+CF3COOH"	136.98208
"1581736"	378.03502	"C14662"	"(E)-4-Nitrostilbene;trans-p-Nitrostilbene"	"C14H11NO2"	"225.079"	"M+K+CF3COOH"	152.95602
"815382"	386.2821	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M"	0
"979076"	367.26371	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-H2O-H"	-19.01839
"66224"	256.514124	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M-3H"	-3.021828
"509064"	385.274824	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M-3H"	-3.021828
"886869"	127.753424	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-3H"	-3.021828
"10919"	385.274824	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M-2H"	-2.014552
"455427"	578.415874	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M-2H"	-2.014552
"832583"	192.133774	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-2H"	-2.014552
"94260"	771.556924	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M-H"	-1.007276
"533913"	1157.839024	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M-H"	-1.007276
"905638"	385.274824	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-H"	-1.007276
"62412"	788.583471	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M-2H+NH4"	16.019271
"501399"	1174.865571	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M-2H+NH4"	16.019271
"879080"	402.301371	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-2H+NH4"	16.019271
"43089"	793.538866	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M-2H+Na"	20.974666
"482648"	1179.820966	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M-2H+Na"	20.974666
"861544"	407.256766	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-2H+Na"	20.974666
"1629984"	407.256766	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Na-2H"	20.974666
"104324"	403.263163	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M-H+Cl"	33.962126
"546072"	596.404213	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M-H+Cl"	33.962126
"938492"	210.122113	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-H+Cl"	33.962126
"280333"	807.533602	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+Cl"	34.969402
"668378"	1193.815702	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+Cl"	34.969402
"1284063"	421.251502	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Cl"	34.969402
"23339"	809.512806	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M-2H+K"	36.948606
"457065"	1195.794906	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M-2H+K"	36.948606
"835957"	423.230706	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-2H+K"	36.948606
"1562000"	423.230706	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+K-2H"	36.948606
"946965"	431.280294	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-H+HCOOH"	44.998194
"368097"	817.562401	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+HCOOH-H"	44.998201
"349426"	831.578051	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+Hac-H"	59.013851
"1494619"	445.295951	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Hac-H"	59.013851
"961431"	453.262251	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-H+NaCOOH"	66.980151
"116170"	421.251502	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+2Cl"	69.938804
"554639"	614.392552	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+2Cl"	69.938804
"1024531"	228.110452	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2Cl"	69.938804
"1244475"	465.200985	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Br"	78.918885
"1312024"	467.256972	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Cl+HCOOH"	80.974872
"1322958"	489.238929	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Cl+NaCOOH"	102.956829
"913654"	499.267686	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M-H+CF3COOH"	112.985586
"1288575"	535.244364	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Cl+CF3COOH"	148.962264
"1369260"	351.269424	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H-2H2O"	-35.012676
"1384204"	369.2794	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H-H2O"	-17.0027
"292640"	773.571476	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+H"	1.007276
"680688"	1159.853576	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+H"	1.007276
"1355943"	387.289376	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H"	1.007276
"132113"	387.289376	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+2H"	2.014552
"574955"	580.430426	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+2H"	2.014552
"1042661"	194.148326	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2H"	2.014552
"211658"	258.528676	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+3H"	3.021828
"651219"	387.289376	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+3H"	3.021828
"1171532"	129.767976	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+3H"	3.021828
"428244"	790.598023	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+NH4"	18.033823
"791425"	1176.880123	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+NH4"	18.033823
"1688848"	404.315923	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+NH4"	18.033823
"339311"	395.8026495	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+H+NH4"	19.041099
"732826"	588.9436995	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+H+NH4"	19.041099
"1485553"	202.6615995	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H+NH4"	19.041099
"399859"	795.553418	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+Na"	22.989218
"760854"	1181.835518	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+Na"	22.989218
"1604579"	409.271318	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Na"	22.989218
"318990"	398.280347	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+H+Na"	23.996494
"715786"	591.421397	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+H+Na"	23.996494
"1467420"	205.139297	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H+Na"	23.996494
"1061760"	137.09529	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2H+Na"	25.00377
"1268543"	419.315586	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+CH3OH+H"	33.033486
"389671"	811.527358	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+K"	38.963158
"750666"	1197.809458	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+K"	38.963158
"1555448"	425.245258	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+K"	38.963158
"313541"	406.267317	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+H+K"	39.970434
"699036"	599.408367	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+H+K"	39.970434
"1451761"	213.126267	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H+K"	39.970434
"242548"	814.598026	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+ACN+H"	42.033826
"1211611"	428.315926	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+ACN+H"	42.033826
"1196592"	214.661601	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+ACN+2H"	43.041102
"190918"	817.53536	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+2Na-H"	44.97116
"629871"	1203.81746	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+2Na-H"	44.97116
"1136178"	431.25326	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2Na-H"	44.97116
"175339"	409.271318	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+2Na"	45.978436
"615753"	602.412368	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+2Na"	45.978436
"1118531"	216.130268	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2Na"	45.978436
"1404608"	144.422604	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H+2Na"	46.985712
"1432349"	433.294846	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H+HCOOH"	47.012746
"223503"	414.30434	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+3H2O+2H"	56.04448
"1515944"	447.34689	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+IsoProp+H"	61.06479
"418912"	417.258288	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+Na+K"	61.952376
"778814"	610.399338	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+Na+K"	61.952376
"1671864"	224.117238	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Na+K"	61.952376
"257293"	836.579968	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+ACN+Na"	64.015768
"1233281"	450.297868	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+ACN+Na"	64.015768
"1714880"	450.321393	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+NH4+HCOOH"	64.039293
"1180964"	151.749918	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+3Na"	68.967654
"1651221"	455.276788	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Na+HCOOH"	68.994688
"158812"	849.48324	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+2K-H"	76.91904
"603477"	1235.76534	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+2K-H"	76.91904
"1089812"	463.20114	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2K-H"	76.91904
"152827"	425.245258	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"2M+2K"	77.926316
"592390"	618.386308	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"3M+2K"	77.926316
"1075811"	232.104208	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2K"	77.926316
"1109022"	465.215692	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2K+H"	78.933592
"1343219"	465.303307	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+DMSO+H"	79.021207
"1013938"	469.342476	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2ACN+H"	83.060376
"1534248"	470.336108	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+IsoProp+Na+H"	84.054008
"993041"	235.174876	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+2ACN+2H"	84.067652
"1589730"	471.250728	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+K+HCOOH"	84.968628
"1418672"	501.282238	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+H+CF3COOH"	115.000138
"1154430"	255.688151	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+3ACN+2H"	125.094202
"1702887"	518.308785	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+NH4+CF3COOH"	132.026685
"1640727"	523.26418	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+Na+CF3COOH"	136.98208
"1581846"	539.23812	"C14663"	"Testosterone isocaproate;17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate"	"C25H38O3"	"386.2821"	"M+K+CF3COOH"	152.95602
"815492"	436.2261	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M"	0
"982466"	417.20771	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-H2O-H"	-19.01839
"68522"	289.810124	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M-3H"	-3.021828
"506989"	435.218824	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M-3H"	-3.021828
"889166"	144.401424	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-3H"	-3.021828
"14679"	435.218824	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M-2H"	-2.014552
"454844"	653.331874	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M-2H"	-2.014552
"830581"	217.105774	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-2H"	-2.014552
"94251"	871.444924	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M-H"	-1.007276
"531227"	1307.671024	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M-H"	-1.007276
"907937"	435.218824	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-H"	-1.007276
"57938"	888.471471	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M-2H+NH4"	16.019271
"500779"	1324.697571	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M-2H+NH4"	16.019271
"879440"	452.245371	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-2H+NH4"	16.019271
"37731"	893.426866	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M-2H+Na"	20.974666
"481666"	1329.652966	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M-2H+Na"	20.974666
"857276"	457.200766	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-2H+Na"	20.974666
"1628998"	457.200766	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Na-2H"	20.974666
"103341"	453.207163	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M-H+Cl"	33.962126
"546183"	671.320213	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M-H+Cl"	33.962126
"937511"	235.094113	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-H+Cl"	33.962126
"281171"	907.421602	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+Cl"	34.969402
"666301"	1343.647702	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+Cl"	34.969402
"1285266"	471.195502	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Cl"	34.969402
"23449"	909.400806	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M-2H+K"	36.948606
"456812"	1345.626906	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M-2H+K"	36.948606
"834974"	473.174706	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-2H+K"	36.948606
"1562110"	473.174706	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+K-2H"	36.948606
"946712"	481.224294	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-H+HCOOH"	44.998194
"367113"	917.450401	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+HCOOH-H"	44.998201
"350998"	931.466051	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+Hac-H"	59.013851
"1495459"	495.239951	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Hac-H"	59.013851
"965187"	503.206251	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-H+NaCOOH"	66.980151
"114458"	471.195502	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+2Cl"	69.938804
"551223"	689.308552	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+2Cl"	69.938804
"1026830"	253.082452	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2Cl"	69.938804
"1244222"	515.144985	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Br"	78.918885
"1311042"	517.200972	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Cl+HCOOH"	80.974872
"1326352"	539.182929	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Cl+NaCOOH"	102.956829
"913039"	549.211686	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M-H+CF3COOH"	112.985586
"1289746"	585.188364	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Cl+CF3COOH"	148.962264
"1370099"	401.213424	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H-2H2O"	-35.012676
"1395252"	419.2234	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H-H2O"	-17.0027
"290564"	873.459476	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+H"	1.007276
"678612"	1309.685576	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+H"	1.007276
"1362616"	437.233376	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H"	1.007276
"134412"	437.233376	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+2H"	2.014552
"572881"	655.346426	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+2H"	2.014552
"1046054"	219.120326	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2H"	2.014552
"217236"	291.824676	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+3H"	3.021828
"652424"	437.233376	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+3H"	3.021828
"1167269"	146.415976	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+3H"	3.021828
"431634"	890.486023	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+NH4"	18.033823
"797004"	1326.712123	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+NH4"	18.033823
"1690053"	454.259923	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+NH4"	18.033823
"337235"	445.7466495	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+H+NH4"	19.041099
"731843"	663.8596995	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+H+NH4"	19.041099
"1482383"	227.6335995	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H+NH4"	19.041099
"401062"	895.441418	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+Na"	22.989218
"760966"	1331.667518	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+Na"	22.989218
"1603838"	459.215318	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Na"	22.989218
"321286"	448.224347	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+H+Na"	23.996494
"713710"	666.337397	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+H+Na"	23.996494
"1468624"	230.111297	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H+Na"	23.996494
"1064058"	153.74329	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2H+Na"	25.00377
"1270111"	469.259586	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+CH3OH+H"	33.033486
"389782"	911.415358	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+K"	38.963158
"750413"	1347.641458	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+K"	38.963158
"1550641"	475.189258	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+K"	38.963158
"306724"	456.211317	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+H+K"	39.970434
"702064"	674.324367	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+H+K"	39.970434
"1455152"	238.098267	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H+K"	39.970434
"243752"	914.486026	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+ACN+H"	42.033826
"1213543"	478.259926	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+ACN+H"	42.033826
"1195977"	239.633601	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+ACN+2H"	43.041102
"190306"	917.42336	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+2Na-H"	44.97116
"630599"	1353.64946	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+2Na-H"	44.97116
"1133375"	481.19726	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2Na-H"	44.97116
"177397"	459.215318	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+2Na"	45.978436
"619510"	677.328368	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+2Na"	45.978436
"1125933"	241.102268	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2Na"	45.978436
"1402896"	161.070604	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H+2Na"	46.985712
"1435011"	483.238846	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H+HCOOH"	47.012746
"226900"	464.24834	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+3H2O+2H"	56.04448
"1517150"	497.29089	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+IsoProp+H"	61.06479
"419023"	467.202288	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+Na+K"	61.952376
"778924"	685.315338	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+Na+K"	61.952376
"1676349"	249.089238	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Na+K"	61.952376
"263965"	936.467968	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+ACN+Na"	64.015768
"1235579"	500.241868	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+ACN+Na"	64.015768
"1716085"	500.265393	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+NH4+HCOOH"	64.039293
"1178845"	168.397918	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+3Na"	68.967654
"1650600"	505.220788	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Na+HCOOH"	68.994688
"158194"	949.37124	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+2K-H"	76.91904
"600672"	1385.59734	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+2K-H"	76.91904
"1093937"	513.14514	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2K-H"	76.91904
"150753"	475.189258	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"2M+2K"	77.926316
"589222"	693.302308	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"3M+2K"	77.926316
"1078107"	257.076208	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2K"	77.926316
"1114236"	515.159692	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2K+H"	78.933592
"1344422"	515.247307	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+DMSO+H"	79.021207
"1016235"	519.286476	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2ACN+H"	83.060376
"1528893"	520.280108	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+IsoProp+Na+H"	84.054008
"998620"	260.146876	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+2ACN+2H"	84.067652
"1596406"	521.194728	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+K+HCOOH"	84.968628
"1420972"	551.226238	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+H+CF3COOH"	115.000138
"1152353"	280.660151	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+3ACN+2H"	125.094202
"1708466"	568.252785	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+NH4+CF3COOH"	132.026685
"1640837"	573.20818	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+Na+CF3COOH"	136.98208
"1581956"	589.18212	"C14664"	"11beta16alpha17alpha21-Tetrahydroxy-9alpha-fluoropregn-4-ene-320-dione 1617-acetonide"	"C24H33FO6"	"436.2261"	"M+K+CF3COOH"	152.95602
"812322"	318.2195	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M"	0
"988043"	299.20111	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"68632"	211.139057333333	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"508193"	317.212224	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"882713"	105.065890666667	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"14423"	317.212224	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"453982"	476.321974	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"830691"	158.102474	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"92870"	635.431724	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"532921"	953.651224	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"906953"	317.212224	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"60235"	652.458271	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"499796"	970.677771	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"872128"	334.238771	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"41121"	657.413666	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"480682"	975.633166	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"857387"	339.194166	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1628016"	339.194166	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"103452"	335.200563	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"544105"	494.310313	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"935435"	176.090813	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"276177"	671.408402	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"666411"	989.627902	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1279910"	353.188902	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"20277"	673.387606	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"456558"	991.607106	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"835450"	355.168106	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1557479"	355.168106	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"946091"	363.217694	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"363215"	681.437201	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"347461"	695.452851	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1495564"	377.233351	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"960920"	385.199651	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"113473"	353.188902	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"557044"	512.298652	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1030946"	194.079152	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1252712"	397.138385	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1311152"	399.194372	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1326460"	421.176329	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"916059"	431.205086	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1288762"	467.181764	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1375678"	283.206824	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1383697"	301.2168	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"287394"	637.446276	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"680909"	955.665776	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1353980"	319.226776	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"127962"	319.226776	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"571897"	478.336526	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1042884"	160.117026	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"217346"	213.153609333333	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"655814"	319.226776	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1172847"	107.080442666667	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"430652"	654.472823	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"792740"	972.692323	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1687976"	336.253323	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"340625"	327.7400495	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"731953"	486.8497995	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1483586"	168.6302995	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"396797"	659.428218	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"761074"	977.647718	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1608080"	341.208718	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"320302"	330.217747	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"716005"	489.327497	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1469828"	171.107997	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1061981"	114.407756666667	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1264755"	351.252986	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"391713"	675.402158	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"748701"	993.621658	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1547468"	357.182658	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"307925"	338.204717	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"697065"	497.314467	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1454166"	179.094967	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"246048"	678.472826	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1213289"	360.253326	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1197182"	180.630301	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"192243"	681.41016	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"632897"	999.62966	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1136401"	363.19066	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"178966"	341.208718	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"620714"	500.318468	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1126043"	182.098968	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1405558"	121.735070666667	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1436215"	365.232246	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"225917"	346.24174	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1516169"	379.28429	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"414761"	349.195688	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"777941"	508.305438	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1676463"	190.085938	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"258608"	700.454768	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1235689"	382.235268	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1714373"	382.258793	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1178994"	129.062384666667	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1651072"	387.214188	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"161222"	713.35804	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"599324"	1031.57754	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1092954"	395.13854	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"146489"	357.182658	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"590423"	516.292408	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1074938"	198.072908	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1107056"	397.153092	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1342349"	397.240707	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1017439"	401.279876	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1526816"	402.273508	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"995450"	201.143576	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1595424"	403.188128	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1418896"	433.219638	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1154651"	221.656851	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1708576"	450.246185	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1640947"	455.20158	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1582066"	471.17552	"C14665"	"Oranabol;Oxymesterone;417beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;4-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"812432"	212.1201	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M"	0
"985966"	193.10171	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-H2O-H"	-19.01839
"65461"	140.406124	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M-3H"	-3.021828
"509400"	211.112824	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M-3H"	-3.021828
"890484"	69.699424	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-3H"	-3.021828
"14782"	211.112824	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M-2H"	-2.014552
"454705"	317.172874	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M-2H"	-2.014552
"829708"	105.052774	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-2H"	-2.014552
"91645"	423.232924	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M-H"	-1.007276
"529261"	635.353024	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M-H"	-1.007276
"904877"	211.112824	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-H"	-1.007276
"59252"	440.259471	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M-2H+NH4"	16.019271
"501125"	652.379571	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M-2H+NH4"	16.019271
"876614"	228.139371	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-2H+NH4"	16.019271
"46222"	445.214866	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M-2H+Na"	20.974666
"485054"	657.334966	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M-2H+Na"	20.974666
"861879"	233.094766	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-2H+Na"	20.974666
"1628127"	233.094766	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Na-2H"	20.974666
"101740"	229.101163	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M-H+Cl"	33.962126
"548227"	335.161213	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M-H+Cl"	33.962126
"938826"	123.041113	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-H+Cl"	33.962126
"281150"	459.209602	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+Cl"	34.969402
"669802"	671.329702	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+Cl"	34.969402
"1283302"	247.089502	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Cl"	34.969402
"26954"	461.188806	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M-2H+K"	36.948606
"461046"	673.308906	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M-2H+K"	36.948606
"835197"	249.068706	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-2H+K"	36.948606
"1559052"	249.068706	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+K-2H"	36.948606
"947300"	257.118294	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-H+HCOOH"	44.998194
"364422"	469.238401	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+HCOOH-H"	44.998201
"346604"	483.254051	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+Hac-H"	59.013851
"1494218"	271.133951	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Hac-H"	59.013851
"962491"	279.100251	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-H+NaCOOH"	66.980151
"117593"	247.089502	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+2Cl"	69.938804
"556788"	353.149552	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+2Cl"	69.938804
"1027412"	141.029452	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2Cl"	69.938804
"1244438"	291.038985	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Br"	78.918885
"1313085"	293.094972	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Cl+HCOOH"	80.974872
"1325113"	315.076929	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Cl+NaCOOH"	102.956829
"914712"	325.105686	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M-H+CF3COOH"	112.985586
"1292159"	361.082364	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Cl+CF3COOH"	148.962264
"1368129"	177.107424	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H-2H2O"	-35.012676
"1390005"	195.1174	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H-H2O"	-17.0027
"295159"	425.247476	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+H"	1.007276
"683208"	637.367576	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+H"	1.007276
"1355182"	213.127376	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H"	1.007276
"135727"	213.127376	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+2H"	2.014552
"575289"	319.187426	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+2H"	2.014552
"1049555"	107.067326	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2H"	2.014552
"217456"	142.420676	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+3H"	3.021828
"655924"	213.127376	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+3H"	3.021828
"1175145"	71.713976	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+3H"	3.021828
"438784"	442.274023	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+NH4"	18.033823
"796131"	654.394123	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+NH4"	18.033823
"1692461"	230.153923	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+NH4"	18.033823
"338552"	221.6406495	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+H+NH4"	19.041099
"727693"	327.7006995	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+H+NH4"	19.041099
"1480419"	115.5805995	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H+NH4"	19.041099
"398006"	447.229418	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+Na"	22.989218
"761185"	659.349518	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+Na"	22.989218
"1606735"	235.109318	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Na"	22.989218
"320415"	224.118347	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+H+Na"	23.996494
"713930"	330.178397	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+H+Na"	23.996494
"1473219"	118.058297	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H+Na"	23.996494
"1062091"	79.04129	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2H+Na"	25.00377
"1264864"	245.153586	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+CH3OH+H"	33.033486
"389634"	463.203358	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+K"	38.963158
"746619"	675.323458	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+K"	38.963158
"1546487"	251.083258	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+K"	38.963158
"301838"	232.105317	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+H+K"	39.970434
"692436"	338.165367	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+H+K"	39.970434
"1446253"	126.045267	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H+K"	39.970434
"238867"	466.274026	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+ACN+H"	42.033826
"1212302"	254.153926	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+ACN+H"	42.033826
"1196196"	127.580601	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+ACN+2H"	43.041102
"193446"	469.21136	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+2Na-H"	44.97116
"634097"	681.33146	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+2Na-H"	44.97116
"1136510"	257.09126	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2Na-H"	44.97116
"178710"	235.109318	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+2Na"	45.978436
"615719"	341.169368	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+2Na"	45.978436
"1122141"	129.049268	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2Na"	45.978436
"1405304"	86.368604	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H+2Na"	46.985712
"1430368"	259.132846	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H+HCOOH"	47.012746
"224205"	240.14234	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+3H2O+2H"	56.04448
"1509353"	273.18489	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+IsoProp+H"	61.06479
"412320"	243.096288	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+Na+K"	61.952376
"774772"	349.156338	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+Na+K"	61.952376
"1672198"	137.036238	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Na+K"	61.952376
"259082"	488.255968	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+ACN+Na"	64.015768
"1231425"	276.135868	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+ACN+Na"	64.015768
"1713265"	276.159393	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+NH4+HCOOH"	64.039293
"1178620"	93.695918	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+3Na"	68.967654
"1649938"	281.114788	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Na+HCOOH"	68.994688
"157147"	501.15924	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+2K-H"	76.91904
"597724"	713.27934	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+2K-H"	76.91904
"1084233"	289.03914	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2K-H"	76.91904
"141421"	251.083258	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"2M+2K"	77.926316
"583603"	357.143308	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"3M+2K"	77.926316
"1068717"	145.023208	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2K"	77.926316
"1107164"	291.053692	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2K+H"	78.933592
"1349874"	291.141307	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+DMSO+H"	79.021207
"1019495"	295.180476	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2ACN+H"	83.060376
"1536769"	296.174108	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+IsoProp+Na+H"	84.054008
"1004188"	148.093876	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+2ACN+2H"	84.067652
"1595534"	297.088728	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+K+HCOOH"	84.968628
"1428848"	327.120238	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+H+CF3COOH"	115.000138
"1161201"	168.607151	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+3ACN+2H"	125.094202
"1711967"	344.146785	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+NH4+CF3COOH"	132.026685
"1647618"	349.10218	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+Na+CF3COOH"	136.98208
"1582176"	365.07612	"C14666"	"1-(4-Methoxyphenyl)-2-phenylethane;1-Methoxy-4-(2-phenylethyl)benzene;4-Methoxydibenzyl"	"C15H16O"	"212.1201"	"M+K+CF3COOH"	152.95602
"809260"	420.2664	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M"	0
"982796"	401.24801	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-H2O-H"	-19.01839
"66663"	279.170324	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M-3H"	-3.021828
"508414"	419.259124	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M-3H"	-3.021828
"882936"	139.081524	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-3H"	-3.021828
"15608"	419.259124	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M-2H"	-2.014552
"454814"	629.392324	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M-2H"	-2.014552
"829820"	209.125924	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-2H"	-2.014552
"91999"	839.525524	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M-H"	-1.007276
"532653"	1259.791924	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M-H"	-1.007276
"907174"	419.259124	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-H"	-1.007276
"56081"	856.552071	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M-2H+NH4"	16.019271
"495641"	1276.818471	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M-2H+NH4"	16.019271
"873443"	436.285671	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-2H+NH4"	16.019271
"46453"	861.507466	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M-2H+Na"	20.974666
"485281"	1281.773866	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M-2H+Na"	20.974666
"860891"	441.241066	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-2H+Na"	20.974666
"1625321"	441.241066	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Na-2H"	20.974666
"104765"	437.247463	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M-H+Cl"	33.962126
"542141"	647.380663	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M-H+Cl"	33.962126
"935656"	227.114263	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-H+Cl"	33.962126
"281502"	875.502202	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+Cl"	34.969402
"669912"	1295.768602	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+Cl"	34.969402
"1284506"	455.235802	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Cl"	34.969402
"25971"	877.481406	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M-2H+K"	36.948606
"461156"	1297.747806	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M-2H+K"	36.948606
"836039"	457.215006	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-2H+K"	36.948606
"1557704"	457.215006	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+K-2H"	36.948606
"948139"	465.264594	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-H+HCOOH"	44.998194
"366355"	885.531001	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+HCOOH-H"	44.998201
"346958"	899.546651	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+Hac-H"	59.013851
"1497977"	479.280251	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Hac-H"	59.013851
"968798"	487.246551	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-H+NaCOOH"	66.980151
"120621"	455.235802	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+2Cl"	69.938804
"559451"	665.369002	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+2Cl"	69.938804
"1030438"	245.102602	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2Cl"	69.938804
"1244551"	499.185285	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Br"	78.918885
"1311372"	501.241272	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Cl+HCOOH"	80.974872
"1323401"	523.223229	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Cl+NaCOOH"	102.956829
"911905"	533.251986	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M-H+CF3COOH"	112.985586
"1291176"	569.228664	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Cl+CF3COOH"	148.962264
"1367877"	385.253724	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H-2H2O"	-35.012676
"1386835"	403.2637	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H-H2O"	-17.0027
"290894"	841.540076	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+H"	1.007276
"678944"	1261.806476	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+H"	1.007276
"1353105"	421.273676	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H"	1.007276
"130369"	421.273676	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+2H"	2.014552
"571023"	631.406876	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+2H"	2.014552
"1049665"	211.140476	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2H"	2.014552
"217566"	281.184876	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+3H"	3.021828
"650566"	421.273676	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+3H"	3.021828
"1176348"	141.096076	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+3H"	3.021828
"431966"	858.566623	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+NH4"	18.033823
"791867"	1278.833023	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+NH4"	18.033823
"1688197"	438.300223	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+NH4"	18.033823
"338660"	429.7869495	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+H+NH4"	19.041099
"726710"	639.9201495	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+H+NH4"	19.041099
"1481624"	219.6537495	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H+NH4"	19.041099
"395930"	863.522018	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+Na"	22.989218
"756194"	1283.788418	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+Na"	22.989218
"1606115"	443.255618	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Na"	22.989218
"321616"	432.264647	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+H+Na"	23.996494
"712945"	642.397847	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+H+Na"	23.996494
"1466768"	222.131447	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H+Na"	23.996494
"1058920"	148.42339	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2H+Na"	25.00377
"1263882"	453.299886	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+CH3OH+H"	33.033486
"386829"	879.495958	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+K"	38.963158
"746729"	1299.762358	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+K"	38.963158
"1543318"	459.229558	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+K"	38.963158
"301585"	440.251617	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+H+K"	39.970434
"692912"	650.384817	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+H+K"	39.970434
"1446852"	230.118417	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H+K"	39.970434
"237520"	882.566626	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+ACN+H"	42.033826
"1210956"	462.300226	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+ACN+H"	42.033826
"1196426"	231.653751	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+ACN+2H"	43.041102
"195740"	885.50396	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+2Na-H"	44.97116
"630925"	1305.77036	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+2Na-H"	44.97116
"1133579"	465.23756	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2Na-H"	44.97116
"176629"	443.255618	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+2Na"	45.978436
"615096"	653.388818	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+2Na"	45.978436
"1120064"	233.122418	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2Na"	45.978436
"1399817"	155.750704	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H+2Na"	46.985712
"1432424"	467.279146	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H+HCOOH"	47.012746
"226138"	448.28864	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+3H2O+2H"	56.04448
"1513473"	481.33119	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+IsoProp+H"	61.06479
"413887"	451.242588	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+Na+K"	61.952376
"774882"	661.375788	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+Na+K"	61.952376
"1669025"	241.109388	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Na+K"	61.952376
"261015"	904.548568	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+ACN+Na"	64.015768
"1230442"	484.282168	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+ACN+Na"	64.015768
"1714592"	484.305693	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+NH4+HCOOH"	64.039293
"1179216"	163.078018	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+3Na"	68.967654
"1649916"	489.261088	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Na+HCOOH"	68.994688
"157543"	917.45184	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+2K-H"	76.91904
"598684"	1337.71824	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+2K-H"	76.91904
"1084252"	497.18544	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2K-H"	76.91904
"141714"	459.229558	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"2M+2K"	77.926316
"581451"	669.362758	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"3M+2K"	77.926316
"1068869"	249.096358	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2K"	77.926316
"1106180"	499.199992	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2K+H"	78.933592
"1349863"	499.287607	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+DMSO+H"	79.021207
"1020336"	503.326776	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2ACN+H"	83.060376
"1539189"	504.320408	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+IsoProp+Na+H"	84.054008
"1004298"	252.167026	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+2ACN+2H"	84.067652
"1600018"	505.235028	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+K+HCOOH"	84.968628
"1429570"	535.266538	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+H+CF3COOH"	115.000138
"1161068"	272.680301	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+3ACN+2H"	125.094202
"1712443"	552.293085	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+NH4+CF3COOH"	132.026685
"1648096"	557.24848	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+Na+CF3COOH"	136.98208
"1582286"	573.22242	"C14667"	"Testosterone phenylpropionate;17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate"	"C28H36O3"	"420.2664"	"M+K+CF3COOH"	152.95602
"802809"	400.1886	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M"	0
"986186"	381.17021	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-H2O-H"	-19.01839
"66773"	265.785124	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M-3H"	-3.021828
"509619"	399.181324	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M-3H"	-3.021828
"884139"	132.388924	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-3H"	-3.021828
"14505"	399.181324	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M-2H"	-2.014552
"455639"	599.275624	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M-2H"	-2.014552
"831632"	199.087024	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-2H"	-2.014552
"93691"	799.369924	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M-H"	-1.007276
"531669"	1199.558524	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M-H"	-1.007276
"907284"	399.181324	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-H"	-1.007276
"60565"	816.396471	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M-2H+NH4"	16.019271
"501343"	1216.585071	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M-2H+NH4"	16.019271
"877563"	416.207871	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-2H+NH4"	16.019271
"45103"	821.351866	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M-2H+Na"	20.974666
"486486"	1221.540466	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M-2H+Na"	20.974666
"863961"	421.163266	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-2H+Na"	20.974666
"1630533"	421.163266	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Na-2H"	20.974666
"109536"	417.169663	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M-H+Cl"	33.962126
"549949"	617.263963	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M-H+Cl"	33.962126
"935766"	217.075363	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-H+Cl"	33.962126
"282546"	835.346602	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+Cl"	34.969402
"673183"	1235.535202	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+Cl"	34.969402
"1280242"	435.158002	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Cl"	34.969402
"20611"	837.325806	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M-2H+K"	36.948606
"457982"	1237.514406	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M-2H+K"	36.948606
"835786"	437.137206	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-2H+K"	36.948606
"1562556"	437.137206	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+K-2H"	36.948606
"944972"	445.186794	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-H+HCOOH"	44.998194
"362821"	845.375401	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+HCOOH-H"	44.998201
"347430"	859.391051	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+Hac-H"	59.013851
"1499181"	459.202451	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Hac-H"	59.013851
"963441"	467.168751	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-H+NaCOOH"	66.980151
"111982"	435.158002	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+2Cl"	69.938804
"558469"	635.252302	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+2Cl"	69.938804
"1023990"	235.063702	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2Cl"	69.938804
"1243201"	479.107485	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Br"	78.918885
"1305648"	481.163472	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Cl+HCOOH"	80.974872
"1327886"	503.145429	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Cl+NaCOOH"	102.956829
"918943"	513.174186	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M-H+CF3COOH"	112.985586
"1297847"	549.150864	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Cl+CF3COOH"	148.962264
"1373822"	365.175924	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H-2H2O"	-35.012676
"1396786"	383.1859	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H-H2O"	-17.0027
"291006"	801.384476	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+H"	1.007276
"681242"	1201.573076	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+H"	1.007276
"1358684"	401.195876	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H"	1.007276
"137041"	401.195876	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+2H"	2.014552
"577695"	601.290176	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+2H"	2.014552
"1050869"	201.101576	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2H"	2.014552
"217312"	267.799676	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+3H"	3.021828
"655051"	401.195876	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+3H"	3.021828
"1176458"	134.403476	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+3H"	3.021828
"432076"	818.411023	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+NH4"	18.033823
"795258"	1218.599623	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+NH4"	18.033823
"1692681"	418.222423	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+NH4"	18.033823
"336587"	409.7091495	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+H+NH4"	19.041099
"733382"	609.8034495	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+H+NH4"	19.041099
"1488296"	209.6148495	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H+NH4"	19.041099
"399321"	823.366418	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+Na"	22.989218
"763595"	1223.555018	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+Na"	22.989218
"1610602"	423.177818	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Na"	22.989218
"321733"	412.186847	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+H+Na"	23.996494
"714154"	612.281147	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+H+Na"	23.996494
"1466880"	212.092547	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H+Na"	23.996494
"1061219"	141.73079	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2H+Na"	25.00377
"1267273"	433.222086	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+CH3OH+H"	33.033486
"386941"	839.340358	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+K"	38.963158
"747935"	1239.528958	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+K"	38.963158
"1545615"	439.151758	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+K"	38.963158
"309349"	420.173817	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+H+K"	39.970434
"699584"	620.268117	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+H+K"	39.970434
"1449029"	220.079517	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H+K"	39.970434
"239817"	842.411026	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+ACN+H"	42.033826
"1210340"	442.222426	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+ACN+H"	42.033826
"1196417"	221.614851	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+ACN+2H"	43.041102
"190383"	845.34836	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+2Na-H"	44.97116
"633227"	1245.53696	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+2Na-H"	44.97116
"1137823"	445.15976	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2Na-H"	44.97116
"178930"	423.177818	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+2Na"	45.978436
"616666"	623.272118	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+2Na"	45.978436
"1120906"	223.083518	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2Na"	45.978436
"1408805"	149.058104	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H+2Na"	46.985712
"1438734"	447.201346	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H+HCOOH"	47.012746
"224424"	428.21084	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+3H2O+2H"	56.04448
"1511396"	461.25339	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+IsoProp+H"	61.06479
"409376"	431.164788	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+Na+K"	61.952376
"770857"	631.259088	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+Na+K"	61.952376
"1676792"	231.070488	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Na+K"	61.952376
"258939"	864.392968	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+ACN+Na"	64.015768
"1237114"	464.204368	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+ACN+Na"	64.015768
"1714338"	464.227893	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+NH4+HCOOH"	64.039293
"1179448"	156.385418	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+3Na"	68.967654
"1650432"	469.183288	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Na+HCOOH"	68.994688
"157897"	877.29624	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+2K-H"	76.91904
"598551"	1277.48484	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+2K-H"	76.91904
"1086223"	477.10764	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2K-H"	76.91904
"141621"	439.151758	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"2M+2K"	77.926316
"583692"	639.246058	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"3M+2K"	77.926316
"1077452"	239.057458	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2K"	77.926316
"1104100"	479.122192	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2K+H"	78.933592
"1348148"	479.209807	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+DMSO+H"	79.021207
"1020324"	483.248976	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2ACN+H"	83.060376
"1538693"	484.242608	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+IsoProp+Na+H"	84.054008
"1002342"	242.128126	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+2ACN+2H"	84.067652
"1593566"	485.157228	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+K+HCOOH"	84.968628
"1429797"	515.188738	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+H+CF3COOH"	115.000138
"1161421"	262.641401	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+3ACN+2H"	125.094202
"1712543"	532.215285	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+NH4+CF3COOH"	132.026685
"1648570"	537.17068	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+Na+CF3COOH"	136.98208
"1582396"	553.14462	"C14668"	"Cortancyl;Prednisone 21-acetate;21-Acetoxy-17alpha-hydroxypregna-14-diene-31120-trione"	"C23H28O6"	"400.1886"	"M+K+CF3COOH"	152.95602
"804012"	408.13	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M"	0
"979733"	389.11161	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-H2O-H"	-19.01839
"63276"	271.079390666667	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M-3H"	-3.021828
"507175"	407.122724	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M-3H"	-3.021828
"884613"	135.036057333333	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-3H"	-3.021828
"9389"	407.122724	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M-2H"	-2.014552
"453325"	611.187724	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M-2H"	-2.014552
"828945"	203.057724	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-2H"	-2.014552
"88939"	815.252724	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M-H"	-1.007276
"531779"	1223.382724	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M-H"	-1.007276
"910674"	407.122724	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-H"	-1.007276
"59582"	832.279271	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M-2H+NH4"	16.019271
"502179"	1240.409271	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M-2H+NH4"	16.019271
"875851"	424.149271	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-2H+NH4"	16.019271
"44845"	837.234666	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M-2H+Na"	20.974666
"485863"	1245.364666	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M-2H+Na"	20.974666
"854914"	429.104666	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-2H+Na"	20.974666
"1630643"	429.104666	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Na-2H"	20.974666
"107172"	425.111063	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M-H+Cl"	33.962126
"537621"	629.176063	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M-H+Cl"	33.962126
"933687"	221.046063	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-H+Cl"	33.962126
"276617"	851.229402	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+Cl"	34.969402
"674141"	1259.359402	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+Cl"	34.969402
"1278529"	443.099402	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Cl"	34.969402
"18899"	853.208606	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M-2H+K"	36.948606
"458093"	1261.338606	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M-2H+K"	36.948606
"834071"	445.078606	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-2H+K"	36.948606
"1565946"	445.078606	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+K-2H"	36.948606
"948362"	453.128194	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-H+HCOOH"	44.998194
"366577"	861.258201	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+HCOOH-H"	44.998201
"349365"	875.273851	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+Hac-H"	59.013851
"1502571"	467.143851	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Hac-H"	59.013851
"969018"	475.110151	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-H+NaCOOH"	66.980151
"117926"	443.099402	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+2Cl"	69.938804
"551408"	647.164402	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+2Cl"	69.938804
"1021618"	239.034402	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2Cl"	69.938804
"1242214"	487.048885	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Br"	78.918885
"1305398"	489.104872	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Cl+HCOOH"	80.974872
"1321798"	511.086829	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Cl+NaCOOH"	102.956829
"916866"	521.115586	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M-H+CF3COOH"	112.985586
"1297957"	557.092264	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Cl+CF3COOH"	148.962264
"1373933"	373.117324	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H-2H2O"	-35.012676
"1393617"	391.1273	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H-H2O"	-17.0027
"294396"	817.267276	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+H"	1.007276
"686820"	1225.397276	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+H"	1.007276
"1360981"	409.137276	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H"	1.007276
"134965"	409.137276	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+2H"	2.014552
"577805"	613.202276	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+2H"	2.014552
"1044414"	205.072276	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2H"	2.014552
"212314"	273.093942666667	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+3H"	3.021828
"655161"	409.137276	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+3H"	3.021828
"1175476"	137.050609333333	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+3H"	3.021828
"428905"	834.293823	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+NH4"	18.033823
"792088"	1242.423823	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+NH4"	18.033823
"1688418"	426.163823	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+NH4"	18.033823
"339977"	417.6505495	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+H+NH4"	19.041099
"728026"	621.7155495	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+H+NH4"	19.041099
"1486219"	213.5855495	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H+NH4"	19.041099
"399431"	839.249218	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+Na"	22.989218
"768080"	1247.379218	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+Na"	22.989218
"1610712"	431.119218	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Na"	22.989218
"321842"	420.128247	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+H+Na"	23.996494
"715357"	624.193247	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+H+Na"	23.996494
"1469179"	216.063247	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H+Na"	23.996494
"1058048"	144.377923333333	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2H+Na"	25.00377
"1267383"	441.163486	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+CH3OH+H"	33.033486
"387050"	855.223158	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+K"	38.963158
"744763"	1263.353158	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+K"	38.963158
"1544632"	447.093158	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+K"	38.963158
"302899"	428.115217	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+H+K"	39.970434
"693134"	632.180217	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+H+K"	39.970434
"1446952"	224.050217	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H+K"	39.970434
"236647"	858.293826	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+ACN+H"	42.033826
"1211543"	450.163826	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+ACN+H"	42.033826
"1197256"	225.585551	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+ACN+2H"	43.041102
"194867"	861.23116	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+2Na-H"	44.97116
"630416"	1269.36116	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+2Na-H"	44.97116
"1136476"	453.10116	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2Na-H"	44.97116
"179404"	431.119218	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+2Na"	45.978436
"617506"	635.184218	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+2Na"	45.978436
"1122108"	227.054218	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2Na"	45.978436
"1404903"	151.705237333333	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H+2Na"	46.985712
"1433739"	455.142746	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H+HCOOH"	47.012746
"224534"	436.15224	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+3H2O+2H"	56.04448
"1512235"	469.19479	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+IsoProp+H"	61.06479
"411918"	439.106188	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+Na+K"	61.952376
"775100"	643.171188	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+Na+K"	61.952376
"1674717"	235.041188	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Na+K"	61.952376
"261236"	880.275768	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+ACN+Na"	64.015768
"1230665"	472.145768	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+ACN+Na"	64.015768
"1717366"	472.169293	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+NH4+HCOOH"	64.039293
"1180533"	159.032551333333	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+3Na"	68.967654
"1655895"	477.124688	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Na+HCOOH"	68.994688
"162760"	893.17904	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+2K-H"	76.91904
"598792"	1301.30904	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+2K-H"	76.91904
"1089018"	485.04904	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2K-H"	76.91904
"149114"	447.093158	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"2M+2K"	77.926316
"587584"	651.158158	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"3M+2K"	77.926316
"1072095"	243.028158	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2K"	77.926316
"1104210"	487.063592	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2K+H"	78.933592
"1350081"	487.151207	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+DMSO+H"	79.021207
"1019339"	491.190376	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2ACN+H"	83.060376
"1539736"	492.184008	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+IsoProp+Na+H"	84.054008
"1002452"	246.098826	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+2ACN+2H"	84.067652
"1602552"	493.098628	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+K+HCOOH"	84.968628
"1429738"	523.130138	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+H+CF3COOH"	115.000138
"1160559"	266.612101	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+3ACN+2H"	125.094202
"1712691"	540.156685	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+NH4+CF3COOH"	132.026685
"1649409"	545.11208	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+Na+CF3COOH"	136.98208
"1582506"	561.08602	"C14669"	"12alpha-Bromo-11beta-hydroxypregn-4-ene-320-dione;11beta-Hydroxy-12alpha-bromoprogesterone"	"C21H29BrO3"	"408.13"	"M+K+CF3COOH"	152.95602
"804122"	314.1882	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M"	0
"979843"	295.16981	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"69179"	208.451524	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"503268"	313.180924	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"882173"	103.722124	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"8406"	313.180924	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"452342"	470.275024	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"831849"	156.086824	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"84674"	627.369124	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"526421"	941.557324	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"906410"	313.180924	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"59692"	644.395671	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"501317"	958.583871	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"871585"	330.207471	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"39487"	649.351066	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"481233"	963.539266	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"856847"	335.162866	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1627473"	335.162866	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"101815"	331.169263	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"537367"	488.263363	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"930881"	174.075163	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"273446"	663.345802	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"670241"	977.534002	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1275723"	349.157602	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"16457"	665.325006	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"457110"	979.513206	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"833453"	351.136806	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1564963"	351.136806	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"945192"	359.186394	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"366687"	673.374601	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"347653"	687.390251	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1501587"	373.202051	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"969128"	381.168351	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"118035"	349.157602	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"553223"	506.251702	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1022017"	192.063502	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1242324"	393.107085	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1305872"	395.163072	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1322639"	417.145029	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"916976"	427.173786	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1290410"	463.150464	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1372950"	279.175524	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1392634"	297.1855	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"292320"	629.383676	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"680370"	943.571876	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1361092"	315.195476	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"135075"	315.195476	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"575728"	472.289576	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1043431"	158.101376	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"212424"	210.466076	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"650895"	315.195476	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1172303"	105.736676	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"431204"	646.410223	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"788917"	960.598423	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1689622"	332.222023	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"340087"	323.7087495	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"727042"	480.8028495	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1485236"	166.6146495	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"398447"	651.365618	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"762723"	965.553818	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1607543"	337.177418	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"318672"	326.186447	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"713281"	483.280547	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1469288"	169.092347	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1055242"	113.06399	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1264213"	347.221686	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"383881"	667.339558	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"741595"	981.527758	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1542552"	353.151358	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"300822"	334.173417	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"692272"	491.267517	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1447063"	177.079317	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"236876"	670.410226	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1211649"	356.222026	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1195665"	178.614651	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"190603"	673.34756	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"629433"	987.53576	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1132577"	359.15936	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"176963"	337.177418	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"615794"	494.271518	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1120032"	180.083318	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1403556"	120.391304	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1431297"	361.200946	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"227559"	342.21044	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1512345"	375.25299	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"412028"	345.164388	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"775210"	502.258488	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1672640"	188.070288	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"256242"	692.392168	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1230047"	378.203968	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1717841"	378.227493	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1179671"	127.718618	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1650048"	383.182888	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"163963"	705.29544	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"598174"	1019.48364	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1089128"	391.10724	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"149224"	353.151358	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"587692"	510.245458	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1071112"	196.057258	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1104320"	393.121792	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1350557"	393.209407	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1021195"	397.248576	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1539794"	398.242208	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"1004873"	199.127926	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1602614"	399.156828	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1429659"	429.188338	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1160669"	219.641201	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1712166"	446.214885	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1649519"	451.17028	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1582616"	467.14422	"C14670"	"17-Ethynyl-10-hydroxy-19-nortestosterone;17alpha-Ethinyl-10beta17beta-dihydroxy-4-estren-3-one;10beta-Hydroxynorethindrone"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"806419"	304.2038	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M"	0
"983233"	285.18541	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"69289"	201.795257333333	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"503457"	303.196524	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"883376"	100.393990666667	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"8516"	303.196524	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"453545"	455.298424	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"829166"	151.094624	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"90252"	607.400324	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"524345"	911.604124	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"904333"	303.196524	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"56522"	624.426871	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"499240"	928.630671	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"873881"	320.223071	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"42877"	629.382266	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"480249"	933.586066	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"858052"	325.178466	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1625396"	325.178466	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"101927"	321.184863	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"540393"	473.286763	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"932814"	169.082963	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"272463"	643.377002	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"669258"	947.580802	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1279480"	339.173202	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"23129"	645.356206	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"461595"	949.560006	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"839396"	341.152406	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1566166"	341.152406	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"950769"	349.201994	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"368984"	653.405801	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"350680"	667.421451	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1498418"	363.217651	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"970332"	371.183951	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"118147"	339.173202	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"554428"	491.275102	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1023223"	187.071302	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1242433"	383.122685	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1308166"	385.178672	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1324936"	407.160629	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"919273"	417.189386	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1290884"	453.166064	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1377433"	269.191124	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1394931"	287.2011	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"291336"	609.414876	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"683760"	913.618676	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1354640"	305.211076	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"132998"	305.211076	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"575838"	457.312976	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1043541"	153.109176	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"216908"	203.809809333333	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"649912"	305.211076	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1174599"	102.408542666667	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"432407"	626.441423	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"794495"	930.645223	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1691920"	322.237623	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"335824"	313.7243495	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"729339"	465.8262495	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1485346"	161.6224495	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"398557"	631.396818	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"762833"	935.600618	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1607653"	327.193018	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"318783"	316.202047	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"713392"	468.303947	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1470492"	164.100147	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1056083"	109.735856666667	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1265416"	337.237286	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"387272"	647.370758	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"747173"	951.574558	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1543757"	343.166958	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"303118"	324.189017	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"692504"	476.290917	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1447052"	172.087117	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"236137"	650.441426	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1210910"	346.237626	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1194436"	173.622451	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"191078"	653.37876	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"629543"	957.58256	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1133050"	349.17496	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"175614"	327.193018	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"615539"	479.294918	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1117952"	175.091118	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1401478"	117.063170666667	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1433959"	351.216546	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"224384"	332.22604	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1512455"	365.26859	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"412138"	335.179988	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"775320"	487.281888	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1669835"	183.078088	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"255988"	672.423368	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1226749"	368.219568	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1713932"	368.243093	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1179052"	124.390484666667	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1650236"	373.198488	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"158727"	685.32664	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"598040"	989.53044	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1085959"	381.12284	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"143869"	343.166958	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"583430"	495.268858	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1069278"	191.065058	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1102608"	383.137392	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1351301"	383.225007	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1021305"	387.264176	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1532944"	388.257808	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"1003524"	194.135726	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1602698"	389.172428	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1429362"	419.203938	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1160779"	214.649001	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1712276"	436.230485	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1648901"	441.18588	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1582726"	457.15982	"C14671"	"11-Ketoandrosterone;3alpha-Hydroxy-5alpha-androstane-1117-dione"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"804342"	218.0498	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M"	0
"983343"	199.03141	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-H2O-H"	-19.01839
"69399"	144.359257333333	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M-3H"	-3.021828
"506768"	217.042524	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M-3H"	-3.021828
"882383"	71.6759906666667	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-3H"	-3.021828
"6439"	217.042524	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M-2H"	-2.014552
"453291"	326.067424	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M-2H"	-2.014552
"824903"	108.017624	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-2H"	-2.014552
"88174"	435.092324	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M-H"	-1.007276
"523361"	653.142124	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M-H"	-1.007276
"904443"	217.042524	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-H"	-1.007276
"53351"	452.118871	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M-2H+NH4"	16.019271
"497283"	670.168671	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M-2H+NH4"	16.019271
"872898"	234.069071	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-2H+NH4"	16.019271
"40799"	457.074266	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M-2H+Na"	20.974666
"477443"	675.124066	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M-2H+Na"	20.974666
"852693"	239.024466	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-2H+Na"	20.974666
"1619672"	239.024466	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Na-2H"	20.974666
"96933"	235.030863	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M-H+Cl"	33.962126
"539410"	344.055763	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M-H+Cl"	33.962126
"931830"	126.005963	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-H+Cl"	33.962126
"272573"	471.069002	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+Cl"	34.969402
"668275"	689.118802	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+Cl"	34.969402
"1281777"	253.019202	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Cl"	34.969402
"24332"	473.048206	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M-2H+K"	36.948606
"461705"	691.098006	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M-2H+K"	36.948606
"839506"	254.998406	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-2H+K"	36.948606
"1565183"	254.998406	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+K-2H"	36.948606
"947598"	263.047994	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-H+HCOOH"	44.998194
"366907"	481.097801	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+HCOOH-H"	44.998201
"348603"	495.113451	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+Hac-H"	59.013851
"1500715"	277.063651	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Hac-H"	59.013851
"968256"	285.029951	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-H+NaCOOH"	66.980151
"118256"	253.019202	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+2Cl"	69.938804
"555631"	362.044102	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+2Cl"	69.938804
"1024064"	143.994302	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2Cl"	69.938804
"1243279"	296.968685	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Br"	78.918885
"1311924"	299.024672	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Cl+HCOOH"	80.974872
"1325046"	321.006629	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Cl+NaCOOH"	102.956829
"922663"	331.035386	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M-H+CF3COOH"	112.985586
"1292816"	367.012064	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Cl+CF3COOH"	148.962264
"1379730"	183.037124	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H-2H2O"	-35.012676
"1393948"	201.0471	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H-H2O"	-17.0027
"291446"	437.106876	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+H"	1.007276
"683870"	655.156676	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+H"	1.007276
"1354750"	219.057076	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H"	1.007276
"133108"	219.057076	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+2H"	2.014552
"577041"	328.081976	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+2H"	2.014552
"1045837"	110.032176	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2H"	2.014552
"215925"	146.373809333333	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+3H"	3.021828
"652209"	219.057076	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+3H"	3.021828
"1173616"	73.6905426666667	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+3H"	3.021828
"433609"	454.133423	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+NH4"	18.033823
"795698"	672.183223	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+NH4"	18.033823
"1692028"	236.083623	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+NH4"	18.033823
"342129"	227.5703495	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+H+NH4"	19.041099
"734916"	336.5952495	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+H+NH4"	19.041099
"1487643"	118.5454495	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H+NH4"	19.041099
"399760"	459.088818	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+Na"	22.989218
"760756"	677.138618	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+Na"	22.989218
"1607761"	241.039018	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Na"	22.989218
"322173"	230.048047	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+H+Na"	23.996494
"714594"	339.072947	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+H+Na"	23.996494
"1468415"	121.023147	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H+Na"	23.996494
"1056192"	81.0178566666667	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2H+Na"	25.00377
"1264432"	251.083286	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+CH3OH+H"	33.033486
"389204"	475.062758	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+K"	38.963158
"744003"	693.112558	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+K"	38.963158
"1543866"	257.012958	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+K"	38.963158
"299950"	238.035017	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+H+K"	39.970434
"691885"	347.059917	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+H+K"	39.970434
"1447286"	129.010117	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H+K"	39.970434
"237101"	478.133426	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+ACN+H"	42.033826
"1210049"	260.083626	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+ACN+H"	42.033826
"1195641"	130.545451	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+ACN+2H"	43.041102
"191551"	481.07076	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+2Na-H"	44.97116
"629529"	699.12056	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+2Na-H"	44.97116
"1136076"	263.02096	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2Na-H"	44.97116
"178639"	241.039018	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+2Na"	45.978436
"617471"	350.063918	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+2Na"	45.978436
"1119521"	132.014118	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2Na"	45.978436
"1402318"	88.3451706666667	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H+2Na"	46.985712
"1438080"	265.062546	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H+HCOOH"	47.012746
"224860"	246.07204	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+3H2O+2H"	56.04448
"1513659"	279.11459	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+IsoProp+H"	61.06479
"411883"	249.025988	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+Na+K"	61.952376
"775430"	358.050888	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+Na+K"	61.952376
"1675045"	140.001088	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Na+K"	61.952376
"257194"	500.115368	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+ACN+Na"	64.015768
"1226616"	282.065568	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+ACN+Na"	64.015768
"1714409"	282.089093	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+NH4+HCOOH"	64.039293
"1179405"	95.6724846666667	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+3Na"	68.967654
"1650629"	287.044488	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Na+HCOOH"	68.994688
"158837"	513.01864	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+2K-H"	76.91904
"597541"	731.06844	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+2K-H"	76.91904
"1085581"	294.96884	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2K-H"	76.91904
"145072"	257.012958	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"2M+2K"	77.926316
"585726"	366.037858	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"3M+2K"	77.926316
"1071332"	147.988058	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2K"	77.926316
"1106729"	296.983392	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2K+H"	78.933592
"1350295"	297.071007	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+DMSO+H"	79.021207
"1020647"	301.110176	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2ACN+H"	83.060376
"1534147"	302.103808	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+IsoProp+Na+H"	84.054008
"992940"	151.058726	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+2ACN+2H"	84.067652
"1601298"	303.018428	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+K+HCOOH"	84.968628
"1429637"	333.049938	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+H+CF3COOH"	115.000138
"1160889"	171.572001	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+3ACN+2H"	125.094202
"1710441"	350.076485	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+NH4+CF3COOH"	132.026685
"1649010"	355.03188	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+Na+CF3COOH"	136.98208
"1582836"	371.00582	"C14672"	"p-Chlorobenzhydrol;(4-Chlorophenyl)phenylmethanol"	"C13H11ClO"	"218.0498"	"M+K+CF3COOH"	152.95602
"804087"	488.3654	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M"	0
"983453"	469.34701	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-H2O-H"	-19.01839
"69509"	324.569657333333	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M-3H"	-3.021828
"503963"	487.358124	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M-3H"	-3.021828
"880428"	161.781190666667	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-3H"	-3.021828
"5456"	487.358124	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M-2H"	-2.014552
"452671"	731.540824	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M-2H"	-2.014552
"823920"	243.175424	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-2H"	-2.014552
"89376"	975.723524	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M-H"	-1.007276
"525658"	1464.088924	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M-H"	-1.007276
"906740"	487.358124	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-H"	-1.007276
"55647"	992.750071	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M-2H+NH4"	16.019271
"500672"	1481.115471	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M-2H+NH4"	16.019271
"875194"	504.384671	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-2H+NH4"	16.019271
"42002"	997.705466	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M-2H+Na"	20.974666
"477189"	1486.070866	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M-2H+Na"	20.974666
"855354"	509.340066	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-2H+Na"	20.974666
"1623795"	509.340066	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Na-2H"	20.974666
"96314"	505.346463	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M-H+Cl"	33.962126
"535869"	749.529163	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M-H+Cl"	33.962126
"931210"	261.163763	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-H+Cl"	33.962126
"271224"	1011.700202	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+Cl"	34.969402
"666198"	1500.065602	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+Cl"	34.969402
"1284073"	523.334802	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Cl"	34.969402
"21162"	1013.679406	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M-2H+K"	36.948606
"458166"	1502.044806	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M-2H+K"	36.948606
"839616"	525.314006	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-2H+K"	36.948606
"1565293"	525.314006	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+K-2H"	36.948606
"953175"	533.363594	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-H+HCOOH"	44.998194
"365923"	1021.729001	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+HCOOH-H"	44.998201
"350900"	1035.744651	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+Hac-H"	59.013851
"1500825"	547.379251	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Hac-H"	59.013851
"970553"	555.345551	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-H+NaCOOH"	66.980151
"120554"	523.334802	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+2Cl"	69.938804
"554648"	767.517502	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+2Cl"	69.938804
"1025635"	279.152102	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2Cl"	69.938804
"1242296"	567.284285	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Br"	78.918885
"1307661"	569.340272	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Cl+HCOOH"	80.974872
"1324063"	591.322229	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Cl+NaCOOH"	102.956829
"917306"	601.350986	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M-H+CF3COOH"	112.985586
"1291467"	637.327664	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Cl+CF3COOH"	148.962264
"1379840"	453.352724	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H-2H2O"	-35.012676
"1395151"	471.3627	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H-H2O"	-17.0027
"293743"	977.738076	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+H"	1.007276
"687626"	1466.103476	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+H"	1.007276
"1359233"	489.372676	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H"	1.007276
"135405"	489.372676	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+2H"	2.014552
"577151"	733.555376	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+2H"	2.014552
"1047042"	245.189976	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2H"	2.014552
"216035"	326.584209333333	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+3H"	3.021828
"655599"	489.372676	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+3H"	3.021828
"1175184"	163.795742666667	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+3H"	3.021828
"435907"	994.764623	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+NH4"	18.033823
"798725"	1483.130023	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+NH4"	18.033823
"1689951"	506.399223	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+NH4"	18.033823
"339323"	497.8859495	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+H+NH4"	19.041099
"734662"	742.0686495	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+H+NH4"	19.041099
"1484473"	253.7032495	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H+NH4"	19.041099
"397684"	999.720018	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+Na"	22.989218
"760866"	1488.085418	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+Na"	22.989218
"1608965"	511.354618	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Na"	22.989218
"323376"	500.363647	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+H+Na"	23.996494
"715798"	744.546347	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+H+Na"	23.996494
"1471805"	256.180947	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H+Na"	23.996494
"1056666"	171.123056666667	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2H+Na"	25.00377
"1266729"	521.398886	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+CH3OH+H"	33.033486
"389678"	1015.693958	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+K"	38.963158
"745207"	1504.059358	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+K"	38.963158
"1543976"	527.328558	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+K"	38.963158
"300058"	508.350617	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+H+K"	39.970434
"692480"	752.533317	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+H+K"	39.970434
"1447396"	264.167917	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H+K"	39.970434
"236116"	1018.764626	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+ACN+H"	42.033826
"1210890"	530.399226	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+ACN+H"	42.033826
"1194564"	265.703251	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+ACN+2H"	43.041102
"189839"	1021.70196	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+2Na-H"	44.97116
"629144"	1510.06736	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+2Na-H"	44.97116
"1133999"	533.33656	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2Na-H"	44.97116
"175833"	511.354618	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+2Na"	45.978436
"615394"	755.537318	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+2Na"	45.978436
"1118172"	267.171918	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2Na"	45.978436
"1403887"	178.450370666667	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H+2Na"	46.985712
"1432720"	535.378146	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H+HCOOH"	47.012746
"223513"	516.38764	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+3H2O+2H"	56.04448
"1515953"	549.43019	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+IsoProp+H"	61.06479
"411628"	519.341588	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+Na+K"	61.952376
"773352"	763.524288	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+Na+K"	61.952376
"1679527"	275.158888	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Na+K"	61.952376
"262769"	1040.746568	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+ACN+Na"	64.015768
"1228184"	552.381168	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+ACN+Na"	64.015768
"1715005"	552.404693	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+NH4+HCOOH"	64.039293
"1181336"	185.777684666667	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+3Na"	68.967654
"1651590"	557.360088	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Na+HCOOH"	68.994688
"161012"	1053.64984	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+2K-H"	76.91904
"598016"	1542.01524	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+2K-H"	76.91904
"1086542"	565.28444	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2K-H"	76.91904
"144088"	527.328558	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"2M+2K"	77.926316
"585106"	771.511258	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"3M+2K"	77.926316
"1072535"	283.145858	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2K"	77.926316
"1107932"	567.298992	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2K+H"	78.933592
"1350525"	567.386607	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+DMSO+H"	79.021207
"1020391"	571.425776	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2ACN+H"	83.060376
"1534257"	572.419408	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+IsoProp+Na+H"	84.054008
"996329"	286.216526	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+2ACN+2H"	84.067652
"1600315"	573.334028	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+K+HCOOH"	84.968628
"1429503"	603.365538	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+H+CF3COOH"	115.000138
"1159906"	306.729801	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+3ACN+2H"	125.094202
"1711645"	620.392085	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+NH4+CF3COOH"	132.026685
"1648391"	625.34748	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+Na+CF3COOH"	136.98208
"1582946"	641.32142	"C14673"	"Cholesta-57-dien-3beta-ol benzoate;7-Dehydrocholesterol benzoate"	"C34H48O2"	"488.3654"	"M+K+CF3COOH"	152.95602
"803469"	448.2614	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M"	0
"983563"	429.24301	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-H2O-H"	-19.01839
"69619"	297.833657333333	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M-3H"	-3.021828
"505896"	447.254124	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M-3H"	-3.021828
"880416"	148.413190666667	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-3H"	-3.021828
"8846"	447.254124	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M-2H"	-2.014552
"452781"	671.384824	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M-2H"	-2.014552
"832656"	223.123424	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-2H"	-2.014552
"94149"	895.515524	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M-H"	-1.007276
"530142"	1343.776924	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M-H"	-1.007276
"910617"	447.254124	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-H"	-1.007276
"60130"	912.542071	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M-2H+NH4"	16.019271
"502002"	1360.803471	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M-2H+NH4"	16.019271
"872024"	464.280671	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-2H+NH4"	16.019271
"39925"	917.497466	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M-2H+Na"	20.974666
"475476"	1365.758866	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M-2H+Na"	20.974666
"856193"	469.236066	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-2H+Na"	20.974666
"1621717"	469.236066	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Na-2H"	20.974666
"103348"	465.242463	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M-H+Cl"	33.962126
"536349"	689.373163	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M-H+Cl"	33.962126
"928404"	241.111763	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-H+Cl"	33.962126
"269873"	931.492202	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+Cl"	34.969402
"662661"	1379.753602	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+Cl"	34.969402
"1284183"	483.230802	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Cl"	34.969402
"27834"	933.471406	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M-2H+K"	36.948606
"467394"	1381.732806	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M-2H+K"	36.948606
"846289"	485.210006	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-2H+K"	36.948606
"1566496"	485.210006	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+K-2H"	36.948606
"953285"	493.259594	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-H+HCOOH"	44.998194
"369313"	941.521001	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+HCOOH-H"	44.998201
"352103"	955.536651	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+Hac-H"	59.013851
"1504215"	507.275251	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Hac-H"	59.013851
"970663"	515.241551	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-H+NaCOOH"	66.980151
"123823"	483.230802	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+2Cl"	69.938804
"554758"	707.361502	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+2Cl"	69.938804
"1024287"	259.100102	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2Cl"	69.938804
"1243865"	527.180285	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Br"	78.918885
"1309958"	529.236272	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Cl+HCOOH"	80.974872
"1327453"	551.218229	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Cl+NaCOOH"	102.956829
"920697"	561.246986	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M-H+CF3COOH"	112.985586
"1290849"	597.223664	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Cl+CF3COOH"	148.962264
"1378857"	413.248724	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H-2H2O"	-35.012676
"1395261"	431.2587	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H-H2O"	-17.0027
"292760"	897.530076	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+H"	1.007276
"689559"	1345.791476	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+H"	1.007276
"1359343"	449.268676	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H"	1.007276
"139160"	449.268676	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+2H"	2.014552
"577261"	673.399376	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+2H"	2.014552
"1046058"	225.137976	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2H"	2.014552
"215052"	299.848209333333	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+3H"	3.021828
"655709"	449.268676	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+3H"	3.021828
"1177481"	150.427742666667	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+3H"	3.021828
"433830"	914.556623	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+NH4"	18.033823
"798104"	1362.818023	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+NH4"	18.033823
"1687876"	466.295223	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+NH4"	18.033823
"340527"	457.7819495	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+H+NH4"	19.041099
"734043"	681.9126495	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+H+NH4"	19.041099
"1485677"	233.6512495	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H+NH4"	19.041099
"396700"	919.512018	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+Na"	22.989218
"757697"	1367.773418	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+Na"	22.989218
"1607982"	471.250618	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Na"	22.989218
"321300"	460.259647	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+H+Na"	23.996494
"713722"	684.390347	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+H+Na"	23.996494
"1469729"	236.128947	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H+Na"	23.996494
"1056412"	157.755056666667	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2H+Na"	25.00377
"1270121"	481.294886	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+CH3OH+H"	33.033486
"388696"	935.485958	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+K"	38.963158
"747505"	1383.747358	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+K"	38.963158
"1542992"	487.224558	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+K"	38.963158
"299439"	468.246617	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+H+K"	39.970434
"691576"	692.377317	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+H+K"	39.970434
"1445604"	244.115917	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H+K"	39.970434
"235737"	938.556626	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+ACN+H"	42.033826
"1210393"	490.295226	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+ACN+H"	42.033826
"1195985"	245.651251	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+ACN+2H"	43.041102
"188686"	941.49396	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+2Na-H"	44.97116
"628593"	1389.75536	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+2Na-H"	44.97116
"1131960"	493.23256	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2Na-H"	44.97116
"174850"	471.250618	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+2Na"	45.978436
"617694"	695.381318	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+2Na"	45.978436
"1121567"	247.119918	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2Na"	45.978436
"1400717"	165.082370666667	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H+2Na"	46.985712
"1437207"	495.274146	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H+HCOOH"	47.012746
"226906"	476.28364	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+3H2O+2H"	56.04448
"1512052"	509.32619	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+IsoProp+H"	61.06479
"413926"	479.237588	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+Na+K"	61.952376
"782214"	703.368288	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+Na+K"	61.952376
"1676360"	255.106888	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Na+K"	61.952376
"255225"	960.538568	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+ACN+Na"	64.015768
"1226836"	512.277168	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+ACN+Na"	64.015768
"1714997"	512.300693	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+NH4+HCOOH"	64.039293
"1180716"	172.409684666667	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+3Na"	68.967654
"1651337"	517.256088	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Na+HCOOH"	68.994688
"165495"	973.44184	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+2K-H"	76.91904
"600681"	1421.70324	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+2K-H"	76.91904
"1086652"	525.18044	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2K-H"	76.91904
"144199"	487.224558	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"2M+2K"	77.926316
"582541"	711.355258	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"3M+2K"	77.926316
"1069848"	263.093858	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2K"	77.926316
"1110228"	527.194992	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2K+H"	78.933592
"1350885"	527.282607	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+DMSO+H"	79.021207
"1021106"	531.321776	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2ACN+H"	83.060376
"1533274"	532.315408	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+IsoProp+Na+H"	84.054008
"997532"	266.164526	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+2ACN+2H"	84.067652
"1601155"	533.230028	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+K+HCOOH"	84.968628
"1429791"	563.261538	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+H+CF3COOH"	115.000138
"1160745"	286.677801	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+3ACN+2H"	125.094202
"1711634"	580.288085	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+NH4+CF3COOH"	132.026685
"1648501"	585.24348	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+Na+CF3COOH"	136.98208
"1583056"	601.21742	"C14674"	"16alpha17alpha-Dihydroxyprogesterone acetophenide"	"C29H36O4"	"448.2614"	"M+K+CF3COOH"	152.95602
"803579"	388.225	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M"	0
"983673"	369.20661	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-H2O-H"	-19.01839
"68636"	257.809390666667	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M-3H"	-3.021828
"507101"	387.217724	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M-3H"	-3.021828
"880237"	128.401057333333	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-3H"	-3.021828
"8956"	387.217724	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M-2H"	-2.014552
"452891"	581.330224	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M-2H"	-2.014552
"827412"	193.105224	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-2H"	-2.014552
"83029"	775.442724	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M-H"	-1.007276
"526973"	1163.667724	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M-H"	-1.007276
"906961"	387.217724	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-H"	-1.007276
"58054"	792.469271	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M-2H+NH4"	16.019271
"499799"	1180.694271	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M-2H+NH4"	16.019271
"872134"	404.244271	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-2H+NH4"	16.019271
"37119"	797.424666	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M-2H+Na"	20.974666
"475585"	1185.649666	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M-2H+Na"	20.974666
"853387"	409.199666	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-2H+Na"	20.974666
"1620734"	409.199666	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Na-2H"	20.974666
"96167"	405.206063	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M-H+Cl"	33.962126
"535000"	599.318563	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M-H+Cl"	33.962126
"929972"	211.093563	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-H+Cl"	33.962126
"268891"	811.419402	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+Cl"	34.969402
"662037"	1199.644402	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+Cl"	34.969402
"1284293"	423.194402	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Cl"	34.969402
"29038"	813.398606	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M-2H+K"	36.948606
"470667"	1201.623606	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M-2H+K"	36.948606
"844214"	425.173606	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-2H+K"	36.948606
"1560045"	425.173606	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+K-2H"	36.948606
"952302"	433.223194	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-H+HCOOH"	44.998194
"368330"	821.448201	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+HCOOH-H"	44.998201
"348933"	835.463851	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+Hac-H"	59.013851
"1497763"	447.238851	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Hac-H"	59.013851
"965306"	455.205151	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-H+NaCOOH"	66.980151
"119681"	423.194402	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+2Cl"	69.938804
"558148"	617.306902	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+2Cl"	69.938804
"1029135"	229.081902	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2Cl"	69.938804
"1247620"	467.143885	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Br"	78.918885
"1304256"	469.199872	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Cl+HCOOH"	80.974872
"1326469"	491.181829	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Cl+NaCOOH"	102.956829
"917526"	501.210586	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M-H+CF3COOH"	112.985586
"1292054"	537.187264	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Cl+CF3COOH"	148.962264
"1376780"	353.212324	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H-2H2O"	-35.012676
"1387715"	371.2223	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H-H2O"	-17.0027
"290682"	777.457276	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+H"	1.007276
"690033"	1165.682276	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+H"	1.007276
"1358360"	389.232276	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H"	1.007276
"139634"	389.232276	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+2H"	2.014552
"577371"	583.344776	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+2H"	2.014552
"1042888"	195.119776	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2H"	2.014552
"217349"	259.823942666667	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+3H"	3.021828
"654726"	389.232276	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+3H"	3.021828
"1176741"	130.415609333333	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+3H"	3.021828
"432847"	794.483823	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+NH4"	18.033823
"797120"	1182.708823	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+NH4"	18.033823
"1694546"	406.258823	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+NH4"	18.033823
"339542"	397.7455495	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+H+NH4"	19.041099
"730871"	591.8580495	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+H+NH4"	19.041099
"1485787"	203.6330495	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H+NH4"	19.041099
"398997"	799.439218	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+Na"	22.989218
"758900"	1187.664218	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+Na"	22.989218
"1608092"	411.214218	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Na"	22.989218
"320317"	400.223247	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+H+Na"	23.996494
"713832"	594.335747	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+H+Na"	23.996494
"1467652"	206.110747	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H+Na"	23.996494
"1059803"	137.742923333333	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2H+Na"	25.00377
"1269138"	421.258486	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+CH3OH+H"	33.033486
"386619"	815.413158	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+K"	38.963158
"747615"	1203.638158	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+K"	38.963158
"1540916"	427.188158	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+K"	38.963158
"300277"	408.210217	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+H+K"	39.970434
"692012"	602.322717	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+H+K"	39.970434
"1446885"	214.097717	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H+K"	39.970434
"236215"	818.483826	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+ACN+H"	42.033826
"1213297"	430.258826	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+ACN+H"	42.033826
"1197917"	215.633051	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+ACN+2H"	43.041102
"189000"	821.42116	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+2Na-H"	44.97116
"629008"	1209.64616	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+2Na-H"	44.97116
"1133126"	433.19616	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2Na-H"	44.97116
"176053"	411.214218	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+2Na"	45.978436
"617077"	605.326718	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+2Na"	45.978436
"1120215"	217.101718	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2Na"	45.978436
"1401186"	145.070237333333	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H+2Na"	46.985712
"1437318"	435.237746	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H+HCOOH"	47.012746
"223371"	416.24724	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+3H2O+2H"	56.04448
"1510338"	449.28979	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+IsoProp+H"	61.06479
"409660"	419.201188	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+Na+K"	61.952376
"776854"	613.313688	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+Na+K"	61.952376
"1678657"	225.088688	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Na+K"	61.952376
"258614"	840.465768	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+ACN+Na"	64.015768
"1232051"	452.240768	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+ACN+Na"	64.015768
"1715108"	452.264293	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+NH4+HCOOH"	64.039293
"1180462"	152.397551333333	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+3Na"	68.967654
"1651083"	457.219688	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Na+HCOOH"	68.994688
"165605"	853.36904	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+2K-H"	76.91904
"600791"	1241.59404	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+2K-H"	76.91904
"1084575"	465.14404	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2K-H"	76.91904
"144673"	427.188158	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"2M+2K"	77.926316
"582046"	621.300658	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"3M+2K"	77.926316
"1068509"	233.075658	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2K"	77.926316
"1101954"	467.158592	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2K+H"	78.933592
"1351211"	467.246207	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+DMSO+H"	79.021207
"1020729"	471.285376	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2ACN+H"	83.060376
"1535570"	472.279008	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+IsoProp+Na+H"	84.054008
"997642"	236.146326	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+2ACN+2H"	84.067652
"1601630"	473.193628	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+K+HCOOH"	84.968628
"1429563"	503.225138	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+H+CF3COOH"	115.000138
"1159032"	256.659601	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+3ACN+2H"	125.094202
"1709677"	520.251685	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+NH4+CF3COOH"	132.026685
"1648611"	525.20708	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+Na+CF3COOH"	136.98208
"1583166"	541.18102	"C14675"	"11beta21-Dihydroxypregn-4-ene-320-dione 21-acetate;Corticosterone 21-acetate"	"C23H32O5"	"388.225"	"M+K+CF3COOH"	152.95602
"816090"	348.1856	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M"	0
"985973"	329.16721	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-H2O-H"	-19.01839
"66559"	231.116457333333	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M-3H"	-3.021828
"506120"	347.178324	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M-3H"	-3.021828
"881735"	115.054590666667	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-3H"	-3.021828
"11253"	347.178324	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M-2H"	-2.014552
"453974"	521.271124	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M-2H"	-2.014552
"830684"	173.085524	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-2H"	-2.014552
"92987"	695.363924	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M-H"	-1.007276
"530355"	1043.549524	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M-H"	-1.007276
"910485"	347.178324	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-H"	-1.007276
"62463"	712.390471	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M-2H+NH4"	16.019271
"502267"	1060.576071	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M-2H+NH4"	16.019271
"879054"	364.204871	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-2H+NH4"	16.019271
"44281"	717.345866	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M-2H+Na"	20.974666
"482624"	1065.531466	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M-2H+Na"	20.974666
"859699"	369.160266	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-2H+Na"	20.974666
"1627043"	369.160266	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Na-2H"	20.974666
"103573"	365.166663	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M-H+Cl"	33.962126
"536569"	539.259463	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M-H+Cl"	33.962126
"939562"	191.073863	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-H+Cl"	33.962126
"276295"	731.340602	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+Cl"	34.969402
"673703"	1079.526202	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+Cl"	34.969402
"1286471"	383.155002	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Cl"	34.969402
"21492"	733.319806	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M-2H+K"	36.948606
"464332"	1081.505406	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M-2H+K"	36.948606
"842133"	385.134206	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-2H+K"	36.948606
"1563437"	385.134206	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+K-2H"	36.948606
"953506"	393.183794	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-H+HCOOH"	44.998194
"370628"	741.369401	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+HCOOH-H"	44.998201
"354511"	755.385051	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+Hac-H"	59.013851
"1501157"	407.199451	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Hac-H"	59.013851
"966510"	415.165751	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-H+NaCOOH"	66.980151
"124165"	383.155002	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+2Cl"	69.938804
"561539"	557.247802	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+2Cl"	69.938804
"1031432"	209.062202	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2Cl"	69.938804
"1245545"	427.104485	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Br"	78.918885
"1314552"	429.160472	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Cl+HCOOH"	80.974872
"1328768"	451.142429	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Cl+NaCOOH"	102.956829
"914359"	461.171186	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M-H+CF3COOH"	112.985586
"1295444"	497.147864	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Cl+CF3COOH"	148.962264
"1381264"	313.172924	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H-2H2O"	-35.012676
"1393294"	331.1829	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H-H2O"	-17.0027
"297844"	697.378476	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+H"	1.007276
"690385"	1045.564076	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+H"	1.007276
"1366131"	349.192876	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H"	1.007276
"140961"	349.192876	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+2H"	2.014552
"580034"	523.285676	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+2H"	2.014552
"1047374"	175.100076	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2H"	2.014552
"217460"	233.131009333333	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+3H"	3.021828
"657758"	349.192876	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+3H"	3.021828
"1177711"	117.069142666667	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+3H"	3.021828
"438307"	714.405023	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+NH4"	18.033823
"800150"	1062.590623	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+NH4"	18.033823
"1694657"	366.219423	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+NH4"	18.033823
"345489"	357.7061495	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+H+NH4"	19.041099
"730984"	531.7989495	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+H+NH4"	19.041099
"1485898"	183.6133495	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H+NH4"	19.041099
"399110"	719.360418	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+Na"	22.989218
"768370"	1067.546018	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+Na"	22.989218
"1612578"	371.174818	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Na"	22.989218
"328812"	360.183847	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+H+Na"	23.996494
"721599"	534.276647	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+H+Na"	23.996494
"1474324"	186.091047	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H+Na"	23.996494
"1058823"	124.396456666667	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2H+Na"	25.00377
"1265968"	381.219086	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+CH3OH+H"	33.033486
"384542"	735.334358	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+K"	38.963158
"744444"	1083.519958	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+K"	38.963158
"1546495"	387.148758	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+K"	38.963158
"300027"	368.170817	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+H+K"	39.970434
"692450"	542.263617	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+H+K"	39.970434
"1446025"	194.078017	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H+K"	39.970434
"235801"	738.405026	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+ACN+H"	42.033826
"1210175"	390.219426	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+ACN+H"	42.033826
"1194868"	195.613351	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+ACN+2H"	43.041102
"189442"	741.34236	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+2Na-H"	44.97116
"633018"	1089.52796	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+2Na-H"	44.97116
"1135790"	393.15676	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2Na-H"	44.97116
"173732"	371.174818	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+2Na"	45.978436
"615727"	545.267618	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+2Na"	45.978436
"1119600"	197.082018	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2Na"	45.978436
"1403127"	131.723770666667	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H+2Na"	46.985712
"1437431"	395.198346	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H+HCOOH"	47.012746
"228222"	376.20784	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+3H2O+2H"	56.04448
"1517378"	409.25039	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+IsoProp+H"	61.06479
"414148"	379.161788	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+Na+K"	61.952376
"778060"	553.254588	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+Na+K"	61.952376
"1678766"	205.068988	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Na+K"	61.952376
"257632"	760.386968	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+ACN+Na"	64.015768
"1229610"	412.201368	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+ACN+Na"	64.015768
"1718504"	412.224893	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+NH4+HCOOH"	64.039293
"1183493"	139.051084666667	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+3Na"	68.967654
"1661041"	417.180288	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Na+HCOOH"	68.994688
"162435"	773.29024	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+2K-H"	76.91904
"608559"	1121.47584	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+2K-H"	76.91904
"1094165"	425.10464	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2K-H"	76.91904
"153169"	387.148758	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"2M+2K"	77.926316
"593821"	561.241558	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"3M+2K"	77.926316
"1081618"	213.055958	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2K"	77.926316
"1113975"	427.119192	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2K+H"	78.933592
"1349397"	427.206807	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+DMSO+H"	79.021207
"1020840"	431.245976	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2ACN+H"	83.060376
"1539456"	432.239608	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+IsoProp+Na+H"	84.054008
"1005409"	216.126626	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+2ACN+2H"	84.067652
"1599915"	433.154228	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+K+HCOOH"	84.968628
"1428371"	463.185738	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+H+CF3COOH"	115.000138
"1159142"	236.639901	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+3ACN+2H"	125.094202
"1709787"	480.212285	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+NH4+CF3COOH"	132.026685
"1647628"	485.16768	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+Na+CF3COOH"	136.98208
"1583276"	501.14162	"C14676"	"4-Chloroprogesterone;4-Chloropregn-4-ene-320-dione"	"C21H29ClO2"	"348.1856"	"M+K+CF3COOH"	152.95602
"803799"	312.2089	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M"	0
"983893"	293.19051	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"68856"	207.131990666667	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"507322"	311.201624	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"880504"	103.062357333333	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"11363"	311.201624	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"454205"	467.306074	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"832132"	155.097174	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"93584"	623.410524	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"530465"	935.619424	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"908278"	311.201624	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"60099"	640.437071	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"501363"	952.645971	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"878679"	328.228171	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"43175"	645.392466	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"481641"	957.601366	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"858715"	333.183566	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1630434"	333.183566	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"103684"	329.189963	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"545428"	485.294413	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"936755"	173.085513	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"274218"	659.387202	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"673567"	971.596102	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1285610"	347.178302	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"25977"	661.366406	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"468455"	973.575306	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"843341"	349.157506	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1564640"	349.157506	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"952523"	357.207094	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"368551"	669.416001	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"354621"	683.431651	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1500174"	371.222751	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"968443"	379.189051	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"122089"	347.178302	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"552901"	503.282752	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1024981"	191.073852	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1242373"	391.127785	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1305916"	393.183772	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1322318"	415.165729	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"912281"	425.194486	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1294463"	461.171164	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1379187"	277.196224	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1393403"	295.2062	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"294185"	625.425076	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"687700"	937.633976	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1364050"	313.216176	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"138032"	313.216176	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"572122"	469.320626	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1044202"	157.111726	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"214289"	209.146542666667	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"658959"	313.216176	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1178269"	105.076909333333	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"437079"	642.451623	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"798437"	954.660523	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1694767"	330.242723	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"343045"	321.7294495	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"732187"	477.8338995	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1486008"	165.6249995	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"399220"	647.407018	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"768966"	959.615918	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1613781"	335.198118	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"328192"	324.207147	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"721831"	480.311597	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1472247"	168.102697	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1060027"	112.404223333333	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1266080"	345.242386	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"383562"	663.380958	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"743461"	975.589858	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1547699"	351.172058	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"301596"	332.194117	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"694018"	488.298567	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1448931"	176.089667	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"236434"	666.451626	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1212068"	354.242726	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1194850"	177.625001	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"189919"	669.38896	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"632762"	981.59786	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1135904"	357.18006	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"177736"	335.198118	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"615838"	491.302568	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1119347"	179.093668	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1403601"	119.731537333333	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1438636"	359.221646	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"224685"	340.23114	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1514206"	373.27369	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"412801"	343.185088	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"778170"	499.289538	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1679605"	187.080638	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"261022"	688.433568	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1231545"	376.224668	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1715691"	376.248193	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1181047"	127.058851333333	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1652034"	381.203588	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"157925"	701.33684	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"607576"	1013.54574	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1094275"	389.12794	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"154372"	351.172058	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"593567"	507.276508	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1082821"	195.067608	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1112018"	391.142492	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1350844"	391.230107	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1021155"	395.269276	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1539322"	396.262908	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"1005277"	198.138276	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1601729"	397.177528	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1428481"	427.209038	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1159252"	218.651551	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1709897"	444.235585	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1648832"	449.19098	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1583386"	465.16492	"C14677"	"1-Dehydroprogesterone;delta1-Progesterone;Pregna-14-diene-320-dione"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"807190"	239.0946	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M"	0
"984003"	220.07621	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H2O-H"	-19.01839
"70059"	158.389124	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-3H"	-3.021828
"510714"	238.087324	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-3H"	-3.021828
"880529"	78.690924	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-3H"	-3.021828
"11473"	238.087324	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H"	-2.014552
"454681"	357.634624	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H"	-2.014552
"832783"	118.540024	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H"	-2.014552
"94257"	477.181924	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-H"	-1.007276
"530576"	716.276524	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-H"	-1.007276
"908752"	238.087324	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H"	-1.007276
"60573"	494.208471	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+NH4"	16.019271
"502200"	733.303071	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+NH4"	16.019271
"879395"	255.113871	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+NH4"	16.019271
"45472"	499.163866	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+Na"	20.974666
"484304"	738.258466	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+Na"	20.974666
"859919"	260.069266	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+Na"	20.974666
"1628358"	260.069266	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na-2H"	20.974666
"104886"	256.075663	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-H+Cl"	33.962126
"545538"	375.622963	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-H+Cl"	33.962126
"940876"	136.528363	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+Cl"	33.962126
"275421"	513.158602	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Cl"	34.969402
"673315"	752.253202	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Cl"	34.969402
"1286448"	274.064002	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl"	34.969402
"27180"	515.137806	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M-2H+K"	36.948606
"468564"	754.232406	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M-2H+K"	36.948606
"846732"	276.043206	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-2H+K"	36.948606
"1562563"	276.043206	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K-2H"	36.948606
"955913"	284.092794	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+HCOOH"	44.998194
"373035"	523.187401	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+HCOOH-H"	44.998201
"357647"	537.203051	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Hac-H"	59.013851
"1502470"	298.108451	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Hac-H"	59.013851
"972198"	306.074751	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+NaCOOH"	66.980151
"120741"	274.064002	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Cl"	69.938804
"556292"	393.611302	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Cl"	69.938804
"1028371"	154.516702	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Cl"	69.938804
"1245035"	318.013485	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Br"	78.918885
"1310399"	320.069472	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+HCOOH"	80.974872
"1325708"	342.051429	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+NaCOOH"	102.956829
"914579"	352.080186	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M-H+CF3COOH"	112.985586
"1297853"	388.056864	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Cl+CF3COOH"	148.962264
"1382335"	204.081924	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H-2H2O"	-35.012676
"1396793"	222.0919	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H-H2O"	-17.0027
"295388"	479.196476	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H"	1.007276
"690977"	718.291076	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H"	1.007276
"1366352"	240.101876	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H"	1.007276
"140333"	240.101876	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2H"	2.014552
"577701"	359.649176	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2H"	2.014552
"1047594"	120.554576	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2H"	2.014552
"214400"	160.403676	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+3H"	3.021828
"659070"	240.101876	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+3H"	3.021828
"1178422"	80.705476	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+3H"	3.021828
"438893"	496.223023	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+NH4"	18.033823
"799157"	735.317623	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+NH4"	18.033823
"1696461"	257.128423	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4"	18.033823
"343521"	248.6151495	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+NH4"	19.041099
"733757"	368.1624495	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+NH4"	19.041099
"1486118"	129.0678495	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+NH4"	19.041099
"404434"	501.178418	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Na"	22.989218
"769442"	740.273018	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Na"	22.989218
"1613891"	262.083818	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na"	22.989218
"326116"	251.092847	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+Na"	23.996494
"721335"	370.640147	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+Na"	23.996494
"1470171"	131.545547	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+Na"	23.996494
"1062325"	88.03279	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2H+Na"	25.00377
"1268376"	272.128086	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+CH3OH+H"	33.033486
"389139"	517.152358	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+K"	38.963158
"747945"	756.246958	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+K"	38.963158
"1547809"	278.057758	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K"	38.963158
"301340"	259.079817	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+H+K"	39.970434
"695220"	378.627117	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+H+K"	39.970434
"1446124"	139.532517	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+K"	39.970434
"235762"	520.223026	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+H"	42.033826
"1211692"	281.128426	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+H"	42.033826
"1194295"	141.067851	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+2H"	43.041102
"191124"	523.16036	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na-H"	44.97116
"634332"	762.25496	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na-H"	44.97116
"1136014"	284.06576	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Na-H"	44.97116
"176753"	262.083818	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2Na"	45.978436
"620688"	381.631118	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2Na"	45.978436
"1126382"	142.536518	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2Na"	45.978436
"1404073"	95.360104	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+2Na"	46.985712
"1436556"	286.107346	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+HCOOH"	47.012746
"230628"	267.11684	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+3H2O+2H"	56.04448
"1518690"	300.15939	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+H"	61.06479
"417285"	270.070788	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+Na+K"	61.952376
"778280"	389.618088	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+Na+K"	61.952376
"1680079"	150.523488	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+K"	61.952376
"261132"	542.204968	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+ACN+Na"	64.015768
"1237122"	303.110368	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+ACN+Na"	64.015768
"1715072"	303.133893	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+HCOOH"	64.039293
"1179698"	102.687418	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+3Na"	68.967654
"1651413"	308.089288	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+HCOOH"	68.994688
"160466"	555.10824	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2K-H"	76.91904
"597833"	794.20284	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2K-H"	76.91904
"1094385"	316.01364	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K-H"	76.91904
"155454"	278.057758	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"2M+2K"	77.926316
"591855"	397.605058	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"3M+2K"	77.926316
"1083417"	158.510458	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K"	77.926316
"1111763"	318.028192	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2K+H"	78.933592
"1349248"	318.115807	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+DMSO+H"	79.021207
"1020576"	322.154976	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+H"	83.060376
"1539188"	323.148608	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+IsoProp+Na+H"	84.054008
"1004904"	161.581126	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+2ACN+2H"	84.067652
"1602081"	324.063228	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K+HCOOH"	84.968628
"1428955"	354.094738	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+H+CF3COOH"	115.000138
"1161916"	182.094401	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+3ACN+2H"	125.094202
"1710007"	371.121285	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+NH4+CF3COOH"	132.026685
"1648576"	376.07668	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+Na+CF3COOH"	136.98208
"1583496"	392.05062	"C14678"	"5-Hydroxy-2-acetamidofluorene;N-(5-Hydroxy-2-fluorenyl)acetamide"	"C15H13NO2"	"239.0946"	"M+K+CF3COOH"	152.95602
"804019"	210.1045	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M"	0
"986300"	191.08611	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-H2O-H"	-19.01839
"73449"	139.062390666667	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M-3H"	-3.021828
"515198"	209.097224	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M-3H"	-3.021828
"881452"	69.0275573333333	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-3H"	-3.021828
"11583"	209.097224	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M-2H"	-2.014552
"454425"	314.149474	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M-2H"	-2.014552
"832517"	104.044974	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-2H"	-2.014552
"92219"	419.201724	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M-H"	-1.007276
"533119"	629.306224	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M-H"	-1.007276
"909469"	209.097224	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-H"	-1.007276
"60562"	436.228271	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M-2H+NH4"	16.019271
"502764"	646.332771	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M-2H+NH4"	16.019271
"878533"	226.123771	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-2H+NH4"	16.019271
"46678"	441.183666	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M-2H+Na"	20.974666
"485386"	651.288166	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M-2H+Na"	20.974666
"861123"	231.079166	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-2H+Na"	20.974666
"1634149"	231.079166	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Na-2H"	20.974666
"109864"	227.085563	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M-H+Cl"	33.962126
"549919"	332.137813	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M-H+Cl"	33.962126
"942751"	122.033313	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-H+Cl"	33.962126
"281488"	455.178402	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+Cl"	34.969402
"675625"	665.282902	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+Cl"	34.969402
"1285830"	245.073902	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Cl"	34.969402
"27290"	457.157606	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M-2H+K"	36.948606
"469404"	667.262106	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M-2H+K"	36.948606
"848487"	247.053106	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-2H+K"	36.948606
"1570574"	247.053106	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+K-2H"	36.948606
"957117"	255.102694	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-H+HCOOH"	44.998194
"373145"	465.207201	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+HCOOH-H"	44.998201
"360839"	479.222851	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+Hac-H"	59.013851
"1499666"	269.118351	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Hac-H"	59.013851
"973402"	277.084651	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-H+NaCOOH"	66.980151
"125027"	245.073902	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+2Cl"	69.938804
"565562"	350.126152	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+2Cl"	69.938804
"1026295"	140.021652	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2Cl"	69.938804
"1245875"	289.023385	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Br"	78.918885
"1314883"	291.079372	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Cl+HCOOH"	80.974872
"1329098"	313.061329	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Cl+NaCOOH"	102.956829
"917969"	323.090086	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M-H+CF3COOH"	112.985586
"1297963"	359.066764	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Cl+CF3COOH"	148.962264
"1378314"	175.091824	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H-2H2O"	-35.012676
"1392530"	193.1018	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H-H2O"	-17.0027
"296589"	421.216276	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+H"	1.007276
"690114"	631.320776	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+H"	1.007276
"1366749"	211.111776	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H"	1.007276
"140079"	211.111776	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+2H"	2.014552
"577811"	316.164026	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+2H"	2.014552
"1048798"	106.059526	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2H"	2.014552
"214510"	141.076942666667	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+3H"	3.021828
"659755"	211.111776	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+3H"	3.021828
"1178170"	71.0421093333333	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+3H"	3.021828
"439372"	438.242823	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+NH4"	18.033823
"800853"	648.347323	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+NH4"	18.033823
"1696732"	228.138323	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+NH4"	18.033823
"344969"	219.6250495	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+H+NH4"	19.041099
"735689"	324.6772995	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+H+NH4"	19.041099
"1486228"	114.5727995	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H+NH4"	19.041099
"399440"	443.198218	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+Na"	22.989218
"763716"	653.302718	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+Na"	22.989218
"1614001"	233.093718	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Na"	22.989218
"327320"	222.102747	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+H+Na"	23.996494
"721808"	327.154997	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+H+Na"	23.996494
"1476479"	117.050497	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H+Na"	23.996494
"1063529"	78.3694233333333	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2H+Na"	25.00377
"1271038"	243.137986	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+CH3OH+H"	33.033486
"389250"	459.172158	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+K"	38.963158
"745869"	669.276658	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+K"	38.963158
"1547919"	249.067658	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+K"	38.963158
"300722"	230.089717	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+H+K"	39.970434
"694236"	335.141967	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+H+K"	39.970434
"1446111"	125.037467	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H+K"	39.970434
"235931"	462.242826	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+ACN+H"	42.033826
"1211559"	252.138326	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+ACN+H"	42.033826
"1195556"	126.572801	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+ACN+2H"	43.041102
"189527"	465.18016	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+2Na-H"	44.97116
"629816"	675.28466	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+2Na-H"	44.97116
"1135395"	255.07566	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2Na-H"	44.97116
"176133"	233.093718	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+2Na"	45.978436
"621162"	338.145968	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+2Na"	45.978436
"1124669"	128.041468	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2Na"	45.978436
"1407829"	85.6967373333333	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H+2Na"	46.985712
"1439946"	257.117246	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H+HCOOH"	47.012746
"229644"	238.12674	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+3H2O+2H"	56.04448
"1516613"	271.16929	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+IsoProp+H"	61.06479
"413383"	241.080688	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+Na+K"	61.952376
"778390"	346.132938	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+Na+K"	61.952376
"1674721"	136.028438	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Na+K"	61.952376
"261242"	484.224768	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+ACN+Na"	64.015768
"1237232"	274.120268	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+ACN+Na"	64.015768
"1715549"	274.143793	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+NH4+HCOOH"	64.039293
"1179929"	93.0240513333333	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+3Na"	68.967654
"1651644"	279.099188	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Na+HCOOH"	68.994688
"161670"	497.12804	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+2K-H"	76.91904
"601230"	707.23254	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+2K-H"	76.91904
"1097654"	287.02354	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2K-H"	76.91904
"155685"	249.067658	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"2M+2K"	77.926316
"591965"	354.119908	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"3M+2K"	77.926316
"1083289"	144.015408	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2K"	77.926316
"1113332"	289.038092	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2K+H"	78.933592
"1350334"	289.125707	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+DMSO+H"	79.021207
"1020323"	293.164876	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2ACN+H"	83.060376
"1539584"	294.158508	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+IsoProp+Na+H"	84.054008
"1005101"	147.086076	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+2ACN+2H"	84.067652
"1601831"	295.073128	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+K+HCOOH"	84.968628
"1429520"	325.104638	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+H+CF3COOH"	115.000138
"1162710"	167.599351	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+3ACN+2H"	125.094202
"1710117"	342.131185	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+NH4+CF3COOH"	132.026685
"1649662"	347.08658	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+Na+CF3COOH"	136.98208
"1583606"	363.06052	"C14679"	"p-Methoxystilbene;1-(p-Methoxyphenyl)-2-phenylethene"	"C15H14O"	"210.1045"	"M+K+CF3COOH"	152.95602
"804129"	336.2664	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M"	0
"986410"	317.24801	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-H2O-H"	-19.01839
"71373"	223.170324	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M-3H"	-3.021828
"510935"	335.259124	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M-3H"	-3.021828
"879938"	111.081524	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-3H"	-3.021828
"11693"	335.259124	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M-2H"	-2.014552
"454535"	503.392324	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M-2H"	-2.014552
"832221"	167.125924	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-2H"	-2.014552
"89048"	671.525524	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M-H"	-1.007276
"532983"	1007.791924	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M-H"	-1.007276
"909700"	335.259124	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-H"	-1.007276
"62421"	688.552071	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M-2H+NH4"	16.019271
"502178"	1024.818471	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M-2H+NH4"	16.019271
"879742"	352.285671	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-2H+NH4"	16.019271
"45813"	693.507466	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M-2H+Na"	20.974666
"486844"	1029.773866	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M-2H+Na"	20.974666
"863705"	357.241066	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-2H+Na"	20.974666
"1634129"	357.241066	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Na-2H"	20.974666
"109937"	353.247463	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M-H+Cl"	33.962126
"547945"	521.380663	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M-H+Cl"	33.962126
"942715"	185.114263	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-H+Cl"	33.962126
"280016"	707.502202	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+Cl"	34.969402
"674627"	1043.768602	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+Cl"	34.969402
"1288172"	371.235802	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Cl"	34.969402
"29227"	709.481406	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M-2H+K"	36.948606
"470246"	1045.747806	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M-2H+K"	36.948606
"844768"	373.215006	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-2H+K"	36.948606
"1568620"	373.215006	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+K-2H"	36.948606
"954677"	381.264594	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-H+HCOOH"	44.998194
"374716"	717.531001	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+HCOOH-H"	44.998201
"361155"	731.546651	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+Hac-H"	59.013851
"1499047"	395.280251	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Hac-H"	59.013851
"965859"	403.246551	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-H+NaCOOH"	66.980151
"116952"	371.235802	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+2Cl"	69.938804
"554327"	539.369002	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+2Cl"	69.938804
"1024218"	203.102602	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2Cl"	69.938804
"1244892"	415.185285	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Br"	78.918885
"1313900"	417.241272	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Cl+HCOOH"	80.974872
"1325928"	439.223229	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Cl+NaCOOH"	102.956829
"918079"	449.251986	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M-H+CF3COOH"	112.985586
"1298073"	485.228664	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Cl+CF3COOH"	148.962264
"1377329"	301.253724	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H-2H2O"	-35.012676
"1393733"	319.2637	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H-H2O"	-17.0027
"296335"	673.540076	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+H"	1.007276
"690223"	1009.806476	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+H"	1.007276
"1365115"	337.273676	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H"	1.007276
"138361"	337.273676	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+2H"	2.014552
"577921"	505.406876	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+2H"	2.014552
"1049637"	169.140476	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2H"	2.014552
"209152"	225.184876	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+3H"	3.021828
"658924"	337.273676	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+3H"	3.021828
"1177545"	113.096076	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+3H"	3.021828
"438752"	690.566623	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+NH4"	18.033823
"800596"	1026.833023	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+NH4"	18.033823
"1692912"	354.300223	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+NH4"	18.033823
"342284"	345.7869495	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+H+NH4"	19.041099
"735436"	513.9201495	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+H+NH4"	19.041099
"1490349"	177.6537495	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H+NH4"	19.041099
"401738"	695.522018	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+Na"	22.989218
"756292"	1031.788418	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+Na"	22.989218
"1615206"	359.255618	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Na"	22.989218
"327430"	348.264647	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+H+Na"	23.996494
"718757"	516.397847	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+H+Na"	23.996494
"1468204"	180.131447	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H+Na"	23.996494
"1059263"	120.42339	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2H+Na"	25.00377
"1267502"	369.299886	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+CH3OH+H"	33.033486
"382797"	711.495958	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+K"	38.963158
"742698"	1047.762358	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+K"	38.963158
"1545842"	375.229558	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+K"	38.963158
"299496"	356.251617	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+H+K"	39.970434
"691544"	524.384817	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+H+K"	39.970434
"1445711"	188.118417	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H+K"	39.970434
"236161"	714.566626	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+ACN+H"	42.033826
"1210819"	378.300226	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+ACN+H"	42.033826
"1194694"	189.653751	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+ACN+2H"	43.041102
"189147"	717.50396	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+2Na-H"	44.97116
"629566"	1053.77036	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+2Na-H"	44.97116
"1137327"	381.23756	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2Na-H"	44.97116
"176243"	359.255618	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+2Na"	45.978436
"621272"	527.388818	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+2Na"	45.978436
"1124415"	191.122418	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2Na"	45.978436
"1407939"	127.750704	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H+2Na"	46.985712
"1436776"	383.279146	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H+HCOOH"	47.012746
"229755"	364.28864	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+3H2O+2H"	56.04448
"1517818"	397.33119	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+IsoProp+H"	61.06479
"412400"	367.242588	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+Na+K"	61.952376
"778500"	535.375788	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+Na+K"	61.952376
"1670457"	199.109388	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Na+K"	61.952376
"261352"	736.548568	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+ACN+Na"	64.015768
"1232967"	400.282168	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+ACN+Na"	64.015768
"1717482"	400.305693	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+NH4+HCOOH"	64.039293
"1181745"	135.078018	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+3Na"	68.967654
"1654917"	405.261088	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Na+HCOOH"	68.994688
"161780"	749.45184	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+2K-H"	76.91904
"601340"	1085.71824	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+2K-H"	76.91904
"1099468"	413.18544	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2K-H"	76.91904
"155795"	375.229558	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"2M+2K"	77.926316
"590982"	543.362758	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"3M+2K"	77.926316
"1084050"	207.096358	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2K"	77.926316
"1113442"	415.199992	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2K+H"	78.933592
"1350940"	415.287607	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+DMSO+H"	79.021207
"1020883"	419.326776	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2ACN+H"	83.060376
"1539416"	420.320408	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+IsoProp+Na+H"	84.054008
"1005591"	210.167026	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+2ACN+2H"	84.067652
"1602426"	421.235028	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+K+HCOOH"	84.968628
"1429792"	451.266538	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+H+CF3COOH"	115.000138
"1161773"	230.680301	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+3ACN+2H"	125.094202
"1709134"	468.293085	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+NH4+CF3COOH"	132.026685
"1649691"	473.24848	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+Na+CF3COOH"	136.98208
"1583716"	489.22242	"C14680"	"5beta-Pregnane-3alpha17alpha20alpha-triol"	"C21H36O3"	"336.2664"	"M+K+CF3COOH"	152.95602
"804239"	328.2038	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M"	0
"985427"	309.18541	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"70389"	217.795257333333	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"511044"	327.196524	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"882647"	108.393990666667	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"11803"	327.196524	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"454646"	491.298424	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"828072"	163.094624	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"85875"	655.400324	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"533583"	983.604124	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"910052"	327.196524	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"61997"	672.426871	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"498275"	1000.630671	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"878263"	344.223071	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"43977"	677.382266	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"483539"	1005.586066	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"862070"	349.178466	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1634000"	349.178466	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"106309"	345.184863	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"543680"	509.286763	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"935008"	181.082963	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"276845"	691.377002	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"671454"	1019.580802	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1287712"	363.173202	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"28606"	693.356206	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"467074"	1021.560006	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"846701"	365.152406	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1567270"	365.152406	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"954058"	373.201994	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"374459"	701.405801	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"359802"	715.421451	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1500613"	387.217651	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"964876"	395.183951	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"121437"	363.173202	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"552251"	527.275102	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1023235"	199.071302	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1242815"	407.122685	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1312916"	409.178672	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1323851"	431.160629	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"918189"	441.189386	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1292716"	477.166064	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1375252"	293.191124	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1394936"	311.2011	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"294622"	657.414876	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"689967"	985.618676	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1365588"	329.211076	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"134097"	329.211076	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"578031"	493.312976	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1046831"	165.109176	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"207075"	219.809809333333	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"655388"	329.211076	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1178018"	110.408542666667	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"438982"	674.441423	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"799855"	1002.645223	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1691927"	346.237623	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"343487"	337.7243495	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"730442"	501.8262495	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1487543"	173.6224495	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"397474"	679.396818	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"758467"	1007.600618	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1610942"	351.193018	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"326446"	340.202047	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"715587"	504.303947	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1471595"	176.100147	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1057185"	117.735856666667	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1263237"	361.237286	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"379625"	695.370758	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"742805"	1023.574558	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1542672"	367.166958	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"298595"	348.189017	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"691394"	512.290917	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1445801"	184.087117	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"236311"	698.441426	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1210354"	370.237626	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1194283"	185.622451	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"188972"	701.37876	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"630647"	1029.58256	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1132332"	373.17496	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"174893"	351.193018	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"615549"	515.294918	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1120513"	187.091118	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1408049"	125.063170666667	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1433235"	375.216546	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"222209"	356.22604	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1509174"	389.26859	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"409593"	359.179988	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"772049"	523.281888	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1666189"	195.078088	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"254534"	720.423368	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1227243"	392.219568	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1716499"	392.243093	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1178551"	132.390484666667	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1651379"	397.198488	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"158120"	733.32664	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"601449"	1061.53044	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1099828"	405.12284	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"155784"	367.166958	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"593278"	531.268858	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1083828"	203.065058	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1112093"	407.137392	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1351155"	407.225007	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1021194"	411.264176	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1539724"	412.257808	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"1005233"	206.135726	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1601563"	413.172428	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1428683"	443.203938	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1162370"	226.649001	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1709244"	460.230485	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1649273"	465.18588	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1583826"	481.15982	"C14681"	"16-alpha17-Epoxypregn-4-ene-320-dione;16alpha17alpha-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"807629"	288.2089	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M"	0
"985537"	269.19051	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"70499"	191.131990666667	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"510061"	287.201624	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"882392"	95.0623573333333	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"10820"	287.201624	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"454637"	431.306074	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"828182"	143.097174	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"85985"	575.410524	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"533450"	863.619424	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"907731"	287.201624	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"59920"	592.437071	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"497292"	880.645971	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"877889"	304.228171	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"40807"	597.392466	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"486080"	885.601366	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"863396"	309.183566	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1633050"	309.183566	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"107512"	305.189963	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"549625"	449.294413	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"935117"	161.085513	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"270394"	611.387202	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"666096"	899.596102	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1287133"	323.178302	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"29082"	613.366406	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"469007"	901.575306	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"846447"	325.157506	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1567382"	325.157506	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"953075"	333.207094	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"373112"	621.416001	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"360643"	635.431651	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1498538"	347.222751	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"964986"	355.189051	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"123371"	323.178302	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"552361"	467.282752	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1023345"	179.073852	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1249485"	367.127785	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1307559"	369.183772	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1322868"	391.165729	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"918299"	401.194486	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1291732"	437.171164	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1375362"	253.196224	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1395046"	271.2062	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"294732"	577.425076	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"690442"	865.633976	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1365697"	289.216176	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"135300"	289.216176	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"576684"	433.320626	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1043661"	145.111726	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"210466"	193.146542666667	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"656228"	289.216176	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1177884"	97.0769093333333	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"439576"	594.451623	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"799722"	882.660523	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1692037"	306.242723	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"342504"	297.7294495	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"730553"	441.8338995	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1484373"	153.6249995	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"400864"	599.407018	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"758577"	887.615918	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1613239"	311.198118	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"326557"	300.207147	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"715697"	444.311597	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1469518"	156.102697	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1056203"	104.404223333333	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1262254"	321.242386	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"379735"	615.380958	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"744009"	903.589858	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1541688"	327.172058	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"298982"	308.194117	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"691525"	452.298567	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1446199"	164.089667	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"236257"	618.451626	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1211277"	330.242726	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1194788"	165.625001	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"188639"	621.38896	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"631482"	909.59786	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1134995"	333.18006	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"175731"	311.198118	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"615658"	455.302568	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1119894"	167.093668	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1408159"	111.731537333333	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1434074"	335.221646	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"224508"	316.23114	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1510019"	349.27369	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"410064"	319.185088	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"770493"	463.289538	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1666663"	175.080638	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"251543"	640.433568	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1226133"	352.224668	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1712994"	352.248193	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1180501"	119.058851333333	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1650639"	357.203588	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"157867"	653.33684	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"600466"	941.54574	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1099648"	365.12794	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"155652"	327.172058	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"592295"	471.276508	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1083615"	183.067608	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1108923"	367.142492	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1351153"	367.230107	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1021338"	371.269276	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1539549"	372.262908	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"1005103"	186.138276	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1601308"	373.177528	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1428062"	403.209038	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1162318"	206.651551	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1709354"	420.235585	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1649705"	425.19098	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1583936"	441.16492	"C14682"	"3-Methoxyestra-25(10)-dien-17beta-ol"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"805552"	318.2195	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M"	0
"985647"	299.20111	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"71702"	211.139057333333	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"510168"	317.212224	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"882866"	105.065890666667	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"11659"	317.212224	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"454501"	476.321974	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"828292"	158.102474	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"87188"	635.431724	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"533681"	953.651224	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"909422"	317.212224	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"61003"	652.458271	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"498495"	970.677771	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"875203"	334.238771	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"40917"	657.413666	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"484853"	975.633166	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"860468"	339.194166	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1623441"	339.194166	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"105436"	335.200563	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"546089"	494.310313	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"940694"	176.090813	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"272690"	671.408402	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"664019"	989.627902	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1285906"	353.188902	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"29191"	673.387606	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"468023"	991.607106	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"844002"	355.168106	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1564209"	355.168106	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"953183"	363.217694	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"365932"	681.437201	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"356375"	695.452851	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1497555"	377.233351	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"960358"	385.199651	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"116190"	353.188902	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"552469"	512.298652	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1026736"	194.079152	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1244127"	397.138385	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1308761"	399.194372	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1325164"	421.176329	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"918409"	431.205086	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1290748"	467.181764	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1373285"	283.206824	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1394792"	301.2168	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"291562"	637.446276	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"687997"	955.665776	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1362521"	319.226776	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"134317"	319.226776	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"577887"	478.336526	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1043771"	160.117026	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"209117"	213.153609333333	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"657795"	319.226776	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1178417"	107.080442666667	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"439683"	654.472823	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"801350"	972.692323	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1696035"	336.253323	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"345576"	327.7400495	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"732849"	486.8497995	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1486669"	168.6302995	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"399881"	659.428218	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"759780"	977.647718	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1614442"	341.208718	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"326667"	330.217747	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"714714"	489.327497	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1470721"	171.107997	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1058499"	114.407756666667	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1262365"	351.252986	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"378387"	675.402158	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"746304"	993.621658	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1543255"	357.182658	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"299337"	338.204717	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"692124"	497.314467	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1448133"	179.094967	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"237100"	678.472826	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1212359"	360.253326	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1194660"	180.630301	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"189112"	681.41016	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"631228"	999.62966	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1136198"	363.19066	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"175842"	341.208718	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"618319"	500.318468	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1123649"	182.098968	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1403894"	121.735070666667	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1433091"	365.232246	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"224982"	346.24174	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1511587"	379.28429	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"411631"	349.195688	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"772625"	508.305438	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1667501"	190.085938	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"252561"	700.454768	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1226607"	382.235268	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1713059"	382.258793	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1179880"	129.062384666667	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1650416"	387.214188	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"158827"	713.35804	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"600940"	1031.57754	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1099074"	395.13854	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"154790"	357.182658	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"592405"	516.292408	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1083237"	198.072908	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1109033"	397.153092	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1350659"	397.240707	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1020768"	401.279876	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1539012"	402.273508	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1005334"	201.143576	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1600688"	403.188128	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1428902"	433.219638	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1162590"	221.656851	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1709464"	450.246185	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1649492"	455.20158	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1584046"	471.17552	"C14683"	"11beta17beta-Dihydroxy-17-methylandrost-4-en-3-one;11beta-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"804569"	300.2089	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M"	0
"985757"	281.19051	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"65253"	199.131990666667	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"503029"	299.201624	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"884799"	99.0623573333333	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"14319"	299.201624	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"455340"	449.306074	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"831681"	149.097174	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"88391"	599.410524	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"533669"	899.619424	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"910624"	299.201624	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"62330"	616.437071	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"500792"	916.645971	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"878964"	316.228171	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"41027"	621.392466	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"486101"	921.601366	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"862765"	321.183566	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1626832"	321.183566	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"107733"	317.189963	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"547293"	467.294413	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"940806"	167.085513	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"270613"	635.387202	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"664129"	935.596102	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1286015"	335.178302	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"30031"	637.366406	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"467404"	937.575306	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"844112"	337.157506	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1564319"	337.157506	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"952200"	345.207094	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"364219"	645.416001	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"358308"	659.431651	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1497665"	359.222751	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"961926"	367.189051	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"115205"	335.178302	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"554765"	485.282752	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1025752"	185.073852	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1244236"	379.127785	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1312151"	381.183772	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1323088"	403.165729	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"918518"	413.194486	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1288788"	449.171164	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1374488"	265.196224	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1394538"	283.2062	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"288390"	601.425076	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"684096"	901.633976	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1360442"	301.216176	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"134424"	301.216176	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"576905"	451.320626	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1043881"	151.111726	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"208863"	201.146542666667	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"648425"	301.216176	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1174207"	101.076909333333	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"438576"	618.451623	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"801251"	918.660523	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1695538"	318.242723	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"342721"	309.7294495	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"730772"	459.8338995	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1486779"	159.6249995	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"399991"	623.407018	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"762077"	923.615918	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1607991"	323.198118	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"325683"	312.207147	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"713730"	462.311597	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1470833"	162.102697	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1061890"	108.404223333333	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1261381"	333.242386	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"379955"	639.380958	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"742408"	939.589858	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1543364"	339.172058	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"299205"	320.194117	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"694790"	470.298567	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1446421"	170.089667	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"238306"	642.451626	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1212470"	342.242726	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1196353"	171.625001	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"188932"	645.38896	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"632430"	945.59786	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1137401"	345.18006	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"178504"	323.198118	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"618066"	473.302568	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1121573"	173.093668	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1405097"	115.731537333333	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1435388"	347.221646	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"222905"	328.23114	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1511697"	361.27369	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"411376"	331.185088	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"773465"	481.289538	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1667611"	181.080638	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"253766"	664.433568	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1227204"	364.224668	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1713167"	364.248193	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1179387"	123.058851333333	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1651224"	369.203588	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"164407"	677.33684	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"601779"	977.54574	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1099711"	377.12794	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"155508"	339.172058	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"595554"	489.276508	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1083598"	189.067608	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1112424"	379.142492	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1350527"	379.230107	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1020757"	383.269276	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1538149"	384.262908	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"1005283"	192.138276	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1601889"	385.177528	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1429377"	415.209038	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1161118"	212.651551	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1712370"	432.235585	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1649603"	437.19098	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1584156"	453.16492	"C14684"	"17beta-Hydroxy-17-methylandrosta-49(11)-dien-3-one;49(11)-Androstadien-17alpha-methyl-17beta-ol-3-one"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"804679"	182.1096	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M"	0
"985867"	163.09121	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-H2O-H"	-19.01839
"64270"	120.399124	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M-3H"	-3.021828
"503465"	181.102324	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M-3H"	-3.021828
"881629"	59.695924	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-3H"	-3.021828
"10056"	181.102324	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M-2H"	-2.014552
"453993"	272.157124	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M-2H"	-2.014552
"827419"	90.047524	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-2H"	-2.014552
"84128"	363.211924	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M-H"	-1.007276
"533900"	545.321524	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M-H"	-1.007276
"909521"	181.102324	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-H"	-1.007276
"61707"	380.238471	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M-2H+NH4"	16.019271
"499809"	562.348071	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M-2H+NH4"	16.019271
"878705"	198.128871	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-2H+NH4"	16.019271
"41136"	385.193866	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M-2H+Na"	20.974666
"486047"	567.303466	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M-2H+Na"	20.974666
"862147"	203.084266	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-2H+Na"	20.974666
"1626942"	203.084266	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Na-2H"	20.974666
"107843"	199.090663	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M-H+Cl"	33.962126
"547403"	290.145463	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M-H+Cl"	33.962126
"939823"	108.035863	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-H+Cl"	33.962126
"274003"	399.188602	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+Cl"	34.969402
"663146"	581.298202	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+Cl"	34.969402
"1283210"	217.079002	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Cl"	34.969402
"27953"	401.167806	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M-2H+K"	36.948606
"466421"	583.277406	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M-2H+K"	36.948606
"840942"	219.058206	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-2H+K"	36.948606
"1564429"	219.058206	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+K-2H"	36.948606
"952310"	227.107794	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-H+HCOOH"	44.998194
"363965"	409.217401	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+HCOOH-H"	44.998201
"360970"	423.233051	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+Hac-H"	59.013851
"1497775"	241.123451	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Hac-H"	59.013851
"961306"	249.089751	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-H+NaCOOH"	66.980151
"114222"	217.079002	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+2Cl"	69.938804
"551960"	308.133802	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+2Cl"	69.938804
"1025863"	126.024202	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2Cl"	69.938804
"1243255"	261.028485	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Br"	78.918885
"1313355"	263.084472	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Cl+HCOOH"	80.974872
"1323197"	285.066429	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Cl+NaCOOH"	102.956829
"918628"	295.095186	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M-H+CF3COOH"	112.985586
"1288735"	331.071864	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Cl+CF3COOH"	148.962264
"1374598"	147.096924	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H-2H2O"	-35.012676
"1394283"	165.1069	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H-H2O"	-17.0027
"290687"	365.226476	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+H"	1.007276
"684206"	547.336076	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+H"	1.007276
"1360552"	183.116876	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H"	1.007276
"134533"	183.116876	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+2H"	2.014552
"571909"	274.171676	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+2H"	2.014552
"1042895"	92.062076	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2H"	2.014552
"210793"	122.413676	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+3H"	3.021828
"648171"	183.116876	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+3H"	3.021828
"1169577"	61.710476	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+3H"	3.021828
"434676"	382.253023	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+NH4"	18.033823
"797495"	564.362623	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+NH4"	18.033823
"1690179"	200.143423	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+NH4"	18.033823
"339550"	191.6301495	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+H+NH4"	19.041099
"729788"	282.6849495	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+H+NH4"	19.041099
"1482515"	100.5753495	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H+NH4"	19.041099
"397185"	387.208418	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+Na"	22.989218
"762187"	569.318018	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+Na"	22.989218
"1605914"	205.098818	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Na"	22.989218
"324335"	194.107847	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+H+Na"	23.996494
"712746"	285.162647	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+H+Na"	23.996494
"1472035"	103.053047	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H+Na"	23.996494
"1060906"	69.03779	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2H+Na"	25.00377
"1260397"	215.143086	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+CH3OH+H"	33.033486
"382252"	403.182358	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+K"	38.963158
"739967"	585.291958	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+K"	38.963158
"1540922"	221.072758	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+K"	38.963158
"298562"	202.094817	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+H+K"	39.970434
"694900"	293.149617	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+H+K"	39.970434
"1448720"	111.040017	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H+K"	39.970434
"238414"	406.253026	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+ACN+H"	42.033826
"1210755"	224.143426	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+ACN+H"	42.033826
"1196827"	112.575351	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+ACN+2H"	43.041102
"190062"	409.19036	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+2Na-H"	44.97116
"630352"	591.29996	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+2Na-H"	44.97116
"1134227"	227.08076	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2Na-H"	44.97116
"175332"	205.098818	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+2Na"	45.978436
"615623"	296.153618	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+2Na"	45.978436
"1121682"	114.044018	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2Na"	45.978436
"1400221"	76.365104	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H+2Na"	46.985712
"1431851"	229.122346	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H+HCOOH"	47.012746
"221432"	210.13184	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+3H2O+2H"	56.04448
"1510714"	243.17439	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+IsoProp+H"	61.06479
"409299"	213.085788	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+Na+K"	61.952376
"772846"	304.140588	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+Na+K"	61.952376
"1669542"	122.030988	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Na+K"	61.952376
"252779"	428.234968	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+ACN+Na"	64.015768
"1226342"	246.125368	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+ACN+Na"	64.015768
"1712987"	246.148893	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+NH4+HCOOH"	64.039293
"1178498"	83.692418	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+3Na"	68.967654
"1650436"	251.104288	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Na+HCOOH"	68.994688
"157947"	441.13824	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+2K-H"	76.91904
"599701"	623.24784	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+2K-H"	76.91904
"1084368"	259.02864	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2K-H"	76.91904
"141624"	221.072758	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"2M+2K"	77.926316
"592625"	312.127558	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"3M+2K"	77.926316
"1083093"	130.017958	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2K"	77.926316
"1112534"	261.043192	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2K+H"	78.933592
"1350511"	261.130807	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+DMSO+H"	79.021207
"1019646"	265.169976	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2ACN+H"	83.060376
"1536679"	266.163608	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+IsoProp+Na+H"	84.054008
"1005438"	133.088626	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+2ACN+2H"	84.067652
"1600906"	267.078228	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+K+HCOOH"	84.968628
"1429121"	297.109738	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+H+CF3COOH"	115.000138
"1162321"	153.601901	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+3ACN+2H"	125.094202
"1712238"	314.136285	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+NH4+CF3COOH"	132.026685
"1648616"	319.09168	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+Na+CF3COOH"	136.98208
"1584266"	335.06562	"C14685"	"12-Dihydrostilbene;12-Diphenylethane;Dibenzyl"	"C14H14"	"182.1096"	"M+K+CF3COOH"	152.95602
"805882"	181.1831	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M"	0
"987799"	162.16471	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-H2O-H"	-19.01839
"67660"	119.781457333333	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M-3H"	-3.021828
"503941"	180.175824	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M-3H"	-3.021828
"883926"	59.3870906666667	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-3H"	-3.021828
"9073"	180.175824	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M-2H"	-2.014552
"454467"	270.767374	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M-2H"	-2.014552
"827529"	89.584274	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-2H"	-2.014552
"85331"	361.358924	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M-H"	-1.007276
"533893"	542.542024	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M-H"	-1.007276
"907809"	180.175824	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-H"	-1.007276
"59267"	378.385471	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M-2H+NH4"	16.019271
"498826"	559.568571	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M-2H+NH4"	16.019271
"876630"	197.202371	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-2H+NH4"	16.019271
"45620"	383.340866	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M-2H+Na"	20.974666
"484700"	564.523966	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M-2H+Na"	20.974666
"861891"	202.157766	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-2H+Na"	20.974666
"1630332"	202.157766	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Na-2H"	20.974666
"108682"	198.164163	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M-H+Cl"	33.962126
"546420"	288.755713	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M-H+Cl"	33.962126
"937746"	107.572613	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-H+Cl"	33.962126
"274113"	397.335602	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+Cl"	34.969402
"664349"	578.518702	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+Cl"	34.969402
"1285507"	216.152502	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Cl"	34.969402
"29523"	399.314806	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M-2H+K"	36.948606
"468718"	580.497906	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M-2H+K"	36.948606
"844333"	218.131706	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-2H+K"	36.948606
"1565633"	218.131706	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+K-2H"	36.948606
"952420"	226.181294	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-H+HCOOH"	44.998194
"365168"	407.364401	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+HCOOH-H"	44.998201
"361043"	421.380051	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+Hac-H"	59.013851
"1497885"	240.196951	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Hac-H"	59.013851
"961051"	248.163251	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-H+NaCOOH"	66.980151
"120892"	216.152502	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+2Cl"	69.938804
"552799"	306.744052	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+2Cl"	69.938804
"1024879"	125.560952	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2Cl"	69.938804
"1243365"	260.101985	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Br"	78.918885
"1316745"	262.157972	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Cl+HCOOH"	80.974872
"1323307"	284.139929	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Cl+NaCOOH"	102.956829
"918738"	294.168686	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M-H+CF3COOH"	112.985586
"1289253"	330.145364	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Cl+CF3COOH"	148.962264
"1374708"	146.170424	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H-2H2O"	-35.012676
"1394029"	164.1804	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H-H2O"	-17.0027
"290797"	363.373476	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+H"	1.007276
"681035"	544.556576	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+H"	1.007276
"1359569"	182.190376	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H"	1.007276
"133550"	182.190376	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+2H"	2.014552
"573112"	272.781926	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+2H"	2.014552
"1044098"	91.598826	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2H"	2.014552
"210538"	121.796009333333	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+3H"	3.021828
"650100"	182.190376	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+3H"	3.021828
"1170411"	61.4016426666667	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+3H"	3.021828
"430776"	380.400023	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+NH4"	18.033823
"792864"	561.583123	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+NH4"	18.033823
"1689196"	199.216923	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+NH4"	18.033823
"335286"	190.7036495	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+H+NH4"	19.041099
"728799"	281.2951995	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+H+NH4"	19.041099
"1483717"	100.1120995	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H+NH4"	19.041099
"398022"	385.355418	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+Na"	22.989218
"759017"	566.538518	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+Na"	22.989218
"1609303"	204.172318	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Na"	22.989218
"320435"	193.181347	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+H+Na"	23.996494
"715042"	283.772897	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+H+Na"	23.996494
"1466677"	102.589797	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H+Na"	23.996494
"1055548"	68.7289566666667	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2H+Na"	25.00377
"1260504"	214.216586	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+CH3OH+H"	33.033486
"382357"	401.329358	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+K"	38.963158
"740801"	582.512458	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+K"	38.963158
"1540667"	220.146258	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+K"	38.963158
"298606"	201.168317	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+H+K"	39.970434
"691842"	291.759867	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+H+K"	39.970434
"1445645"	110.576767	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H+K"	39.970434
"236700"	404.400026	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+ACN+H"	42.033826
"1210864"	223.216926	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+ACN+H"	42.033826
"1194292"	112.112101	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+ACN+2H"	43.041102
"188608"	407.33736	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+2Na-H"	44.97116
"628625"	588.52046	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+2Na-H"	44.97116
"1131415"	226.15426	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2Na-H"	44.97116
"173612"	204.172318	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+2Na"	45.978436
"616092"	294.763868	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+2Na"	45.978436
"1118142"	113.580768	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2Na"	45.978436
"1399845"	76.0562706666667	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H+2Na"	46.985712
"1433418"	228.195846	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H+HCOOH"	47.012746
"222389"	209.20534	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+3H2O+2H"	56.04448
"1510824"	242.24789	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+IsoProp+H"	61.06479
"411232"	212.159288	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+Na+K"	61.952376
"772590"	302.750838	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+Na+K"	61.952376
"1668194"	121.567738	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Na+K"	61.952376
"252528"	426.381968	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+ACN+Na"	64.015768
"1226694"	245.198868	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+ACN+Na"	64.015768
"1712795"	245.222393	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+NH4+HCOOH"	64.039293
"1178668"	83.3835846666667	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+3Na"	68.967654
"1650830"	250.177788	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Na+HCOOH"	68.994688
"157693"	439.28524	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+2K-H"	76.91904
"599080"	620.46834	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+2K-H"	76.91904
"1084805"	258.10214	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2K-H"	76.91904
"141777"	220.146258	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"2M+2K"	77.926316
"592735"	310.737808	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"3M+2K"	77.926316
"1081621"	129.554708	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2K"	77.926316
"1111551"	260.116692	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2K+H"	78.933592
"1350861"	260.204307	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+DMSO+H"	79.021207
"1021174"	264.243476	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2ACN+H"	83.060376
"1535690"	265.237108	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+IsoProp+Na+H"	84.054008
"1001041"	132.625376	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+2ACN+2H"	84.067652
"1602109"	266.151728	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+K+HCOOH"	84.968628
"1428865"	296.183238	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+H+CF3COOH"	115.000138
"1161338"	153.138651	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+3ACN+2H"	125.094202
"1705419"	313.209785	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+NH4+CF3COOH"	132.026685
"1647634"	318.16518	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+Na+CF3COOH"	136.98208
"1584376"	334.13912	"C14686"	"Dicyclohexylamine;N-Cyclohexylcyclohexanamine"	"C12H23N"	"181.1831"	"M+K+CF3COOH"	152.95602
"804899"	90.0681	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M"	0
"987180"	71.04971	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-H2O-H"	-19.01839
"67770"	59.038124	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M-3H"	-3.021828
"511703"	89.060824	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M-3H"	-3.021828
"884035"	29.015424	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-3H"	-3.021828
"9183"	89.060824	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M-2H"	-2.014552
"454336"	134.094874	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M-2H"	-2.014552
"827639"	44.026774	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-2H"	-2.014552
"85441"	179.128924	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M-H"	-1.007276
"532905"	269.197024	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M-H"	-1.007276
"904640"	89.060824	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-H"	-1.007276
"57557"	196.155471	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M-2H+NH4"	16.019271
"498939"	286.223571	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M-2H+NH4"	16.019271
"874554"	106.087371	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-2H+NH4"	16.019271
"43547"	201.110866	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M-2H+Na"	20.974666
"483474"	291.178966	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M-2H+Na"	20.974666
"861274"	111.042766	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-2H+Na"	20.974666
"1630442"	111.042766	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Na-2H"	20.974666
"107700"	107.049163	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M-H+Cl"	33.962126
"546530"	152.083213	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M-H+Cl"	33.962126
"937856"	62.015113	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-H+Cl"	33.962126
"272038"	215.105602	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+Cl"	34.969402
"664459"	305.173702	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+Cl"	34.969402
"1284160"	125.037502	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Cl"	34.969402
"29637"	217.084806	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M-2H+K"	36.948606
"469199"	307.152906	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M-2H+K"	36.948606
"844443"	127.016706	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-2H+K"	36.948606
"1566837"	127.016706	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+K-2H"	36.948606
"958121"	135.066294	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-H+HCOOH"	44.998194
"371841"	225.134401	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+HCOOH-H"	44.998201
"360462"	239.150051	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+Hac-H"	59.013851
"1502369"	149.081951	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Hac-H"	59.013851
"966628"	157.048251	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-H+NaCOOH"	66.980151
"124527"	125.037502	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+2Cl"	69.938804
"555096"	170.071552	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+2Cl"	69.938804
"1034830"	80.003452	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2Cl"	69.938804
"1250035"	168.986985	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Br"	78.918885
"1314669"	171.042972	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Cl+HCOOH"	80.974872
"1326697"	193.024929	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Cl+NaCOOH"	102.956829
"913015"	203.053686	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M-H+CF3COOH"	112.985586
"1292279"	239.030364	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Cl+CF3COOH"	148.962264
"1371537"	55.055424	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H-2H2O"	-35.012676
"1394503"	73.0654	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H-H2O"	-17.0027
"290907"	181.143476	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+H"	1.007276
"677865"	271.211576	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+H"	1.007276
"1359679"	91.075376	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H"	1.007276
"134753"	91.075376	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+2H"	2.014552
"571036"	136.109426	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+2H"	2.014552
"1044207"	46.041326	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2H"	2.014552
"209555"	61.052676	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+3H"	3.021828
"651667"	91.075376	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+3H"	3.021828
"1175259"	31.029976	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+3H"	3.021828
"427606"	198.170023	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+NH4"	18.033823
"792974"	288.238123	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+NH4"	18.033823
"1686390"	108.101923	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+NH4"	18.033823
"336489"	99.5886495	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+H+NH4"	19.041099
"726723"	144.6226995	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+H+NH4"	19.041099
"1483827"	54.5545995	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H+NH4"	19.041099
"398132"	203.125418	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+Na"	22.989218
"760220"	293.193518	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+Na"	22.989218
"1606129"	113.057318	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Na"	22.989218
"321638"	102.066347	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+H+Na"	23.996494
"709684"	147.100397	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+H+Na"	23.996494
"1465692"	57.032297	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H+Na"	23.996494
"1053224"	38.35729	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2H+Na"	25.00377
"1258062"	123.101586	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+CH3OH+H"	33.033486
"385746"	219.099358	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+K"	38.963158
"741275"	309.167458	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+K"	38.963158
"1541503"	129.031258	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+K"	38.963158
"299165"	110.053317	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+H+K"	39.970434
"691830"	155.087367	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+H+K"	39.970434
"1446259"	65.019267	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H+K"	39.970434
"236445"	222.170026	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+ACN+H"	42.033826
"1210731"	132.101926	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+ACN+H"	42.033826
"1194729"	66.554601	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+ACN+2H"	43.041102
"189420"	225.10736	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+2Na-H"	44.97116
"629347"	315.17546	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+2Na-H"	44.97116
"1132486"	135.03926	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2Na-H"	44.97116
"173235"	113.057318	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+2Na"	45.978436
"615109"	158.091368	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+2Na"	45.978436
"1118249"	68.023268	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2Na"	45.978436
"1399347"	45.684604	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H+2Na"	46.985712
"1431707"	137.080846	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H+HCOOH"	47.012746
"221772"	118.09034	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+3H2O+2H"	56.04448
"1510934"	151.13289	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+IsoProp+H"	61.06479
"411710"	121.044288	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+Na+K"	61.952376
"772336"	166.078338	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+Na+K"	61.952376
"1667573"	76.010238	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Na+K"	61.952376
"252273"	244.151968	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+ACN+Na"	64.015768
"1226440"	154.083868	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+ACN+Na"	64.015768
"1712973"	154.107393	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+NH4+HCOOH"	64.039293
"1178519"	53.011918	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+3Na"	68.967654
"1650943"	159.062788	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Na+HCOOH"	68.994688
"157185"	257.05524	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+2K-H"	76.91904
"597165"	347.12334	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+2K-H"	76.91904
"1084202"	166.98714	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2K-H"	76.91904
"141446"	129.031258	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"2M+2K"	77.926316
"592845"	174.065308	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"3M+2K"	77.926316
"1080638"	83.997208	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2K"	77.926316
"1112754"	169.001692	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2K+H"	78.933592
"1350609"	169.089307	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+DMSO+H"	79.021207
"1021191"	173.128476	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2ACN+H"	83.060376
"1538716"	174.122108	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+IsoProp+Na+H"	84.054008
"1004066"	87.067876	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+2ACN+2H"	84.067652
"1598938"	175.036728	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+K+HCOOH"	84.968628
"1427886"	205.068238	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+H+CF3COOH"	115.000138
"1162420"	107.581151	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+3ACN+2H"	125.094202
"1708809"	222.094785	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+NH4+CF3COOH"	132.026685
"1647745"	227.05018	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+Na+CF3COOH"	136.98208
"1584486"	243.02412	"C14687"	"2-Ethoxyethanol"	"C4H10O2"	"90.0681"	"M+K+CF3COOH"	152.95602
"813757"	141.9952	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M"	0
"987290"	122.97681	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-H2O-H"	-19.01839
"74442"	93.6561906666667	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M-3H"	-3.021828
"508535"	140.987924	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M-3H"	-3.021828
"884148"	46.3244573333333	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-3H"	-3.021828
"11479"	140.987924	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M-2H"	-2.014552
"454930"	211.985524	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M-2H"	-2.014552
"830908"	69.990324	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-2H"	-2.014552
"85551"	282.983124	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M-H"	-1.007276
"524016"	424.978324	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M-H"	-1.007276
"909119"	140.987924	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-H"	-1.007276
"58759"	300.009671	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M-2H+NH4"	16.019271
"500503"	442.004871	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M-2H+NH4"	16.019271
"877578"	158.014471	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-2H+NH4"	16.019271
"37092"	304.965066	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M-2H+Na"	20.974666
"481026"	446.960266	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M-2H+Na"	20.974666
"859924"	162.969866	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-2H+Na"	20.974666
"1630550"	162.969866	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Na-2H"	20.974666
"109390"	158.976263	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M-H+Cl"	33.962126
"548460"	229.973863	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M-H+Cl"	33.962126
"934684"	87.978663	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-H+Cl"	33.962126
"269960"	318.959802	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+Cl"	34.969402
"665663"	460.955002	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+Cl"	34.969402
"1284270"	176.964602	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Cl"	34.969402
"29380"	320.939006	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M-2H+K"	36.948606
"470403"	462.934206	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M-2H+K"	36.948606
"844553"	178.943806	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-2H+K"	36.948606
"1566947"	178.943806	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+K-2H"	36.948606
"957870"	186.993394	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-H+HCOOH"	44.998194
"374867"	328.988601	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+HCOOH-H"	44.998201
"361333"	343.004251	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+Hac-H"	59.013851
"1504666"	201.009051	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Hac-H"	59.013851
"971842"	208.975351	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-H+NaCOOH"	66.980151
"125699"	176.964602	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+2Cl"	69.938804
"560674"	247.962202	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+2Cl"	69.938804
"1036847"	105.967002	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2Cl"	69.938804
"1253425"	220.914085	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Br"	78.918885
"1318788"	222.970072	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Cl+HCOOH"	80.974872
"1326807"	244.952029	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Cl+NaCOOH"	102.956829
"912759"	254.980786	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M-H+CF3COOH"	112.985586
"1293483"	290.957464	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Cl+CF3COOH"	148.962264
"1373833"	106.982524	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H-2H2O"	-35.012676
"1396435"	124.9925	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H-H2O"	-17.0027
"294662"	284.997676	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+H"	1.007276
"686720"	426.992876	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+H"	1.007276
"1360882"	143.002476	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H"	1.007276
"137051"	143.002476	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+2H"	2.014552
"576610"	214.000076	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+2H"	2.014552
"1045407"	72.004876	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2H"	2.014552
"209666"	95.6707426666667	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+3H"	3.021828
"656150"	143.002476	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+3H"	3.021828
"1173179"	48.3390093333333	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+3H"	3.021828
"428808"	302.024223	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+NH4"	18.033823
"789803"	444.019423	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+NH4"	18.033823
"1686136"	160.029023	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+NH4"	18.033823
"336599"	151.5157495	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+H+NH4"	19.041099
"729018"	222.5133495	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+H+NH4"	19.041099
"1483937"	80.5181495	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H+NH4"	19.041099
"398239"	306.979618	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+Na"	22.989218
"762516"	448.974818	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+Na"	22.989218
"1608428"	164.984418	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Na"	22.989218
"322842"	153.993447	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+H+Na"	23.996494
"716356"	224.991047	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+H+Na"	23.996494
"1466896"	82.995847	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H+Na"	23.996494
"1057955"	55.6663233333333	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2H+Na"	25.00377
"1258416"	175.028686	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+CH3OH+H"	33.033486
"379663"	322.953558	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+K"	38.963158
"742115"	464.948758	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+K"	38.963158
"1541130"	180.958358	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+K"	38.963158
"299033"	161.980417	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+H+K"	39.970434
"691936"	232.978017	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+H+K"	39.970434
"1445732"	90.982817	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H+K"	39.970434
"236309"	326.024226	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+ACN+H"	42.033826
"1209922"	184.029026	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+ACN+H"	42.033826
"1194761"	92.518151	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+ACN+2H"	43.041102
"188887"	328.96156	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+2Na-H"	44.97116
"629092"	470.95676	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+2Na-H"	44.97116
"1132234"	186.96636	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2Na-H"	44.97116
"173831"	164.984418	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+2Na"	45.978436
"616315"	235.982018	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+2Na"	45.978436
"1117998"	93.986818	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2Na"	45.978436
"1400430"	62.9936373333333	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H+2Na"	46.985712
"1431815"	189.007946	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H+HCOOH"	47.012746
"221884"	170.01744	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+3H2O+2H"	56.04448
"1512137"	203.05999	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+IsoProp+H"	61.06479
"411092"	172.971388	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+Na+K"	61.952376
"771721"	243.968988	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+Na+K"	61.952376
"1666596"	101.973788	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Na+K"	61.952376
"252265"	348.006168	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+ACN+Na"	64.015768
"1226553"	206.010968	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+ACN+Na"	64.015768
"1712898"	206.034493	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+NH4+HCOOH"	64.039293
"1179007"	70.3209513333333	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+3Na"	68.967654
"1651419"	210.989888	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Na+HCOOH"	68.994688
"157374"	360.90944	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+2K-H"	76.91904
"597628"	502.90464	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+2K-H"	76.91904
"1084493"	218.91424	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2K-H"	76.91904
"141836"	180.958358	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"2M+2K"	77.926316
"595872"	251.955958	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"3M+2K"	77.926316
"1081845"	109.960758	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2K"	77.926316
"1113958"	220.928792	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2K+H"	78.933592
"1349990"	221.016407	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+DMSO+H"	79.021207
"1019251"	225.055576	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2ACN+H"	83.060376
"1539076"	226.049208	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+IsoProp+Na+H"	84.054008
"1003451"	113.031426	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+2ACN+2H"	84.067652
"1600140"	226.963828	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+K+HCOOH"	84.968628
"1427631"	256.995338	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+H+CF3COOH"	115.000138
"1162168"	133.544701	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+3ACN+2H"	125.094202
"1711107"	274.021885	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+NH4+CF3COOH"	132.026685
"1648948"	278.97728	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+Na+CF3COOH"	136.98208
"1584596"	294.95122	"C14688"	"Bis(2-chloroethyl)ether;22-Dichlorethyl ether;15-Dichloro-3-oxapentane"	"C4H8Cl2O"	"141.9952"	"M+K+CF3COOH"	152.95602
"808399"	106.063	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M"	0
"978652"	87.04461	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-H2O-H"	-19.01839
"70177"	69.7013906666667	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M-3H"	-3.021828
"509738"	105.055724	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M-3H"	-3.021828
"885350"	34.3470573333333	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-3H"	-3.021828
"11589"	105.055724	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M-2H"	-2.014552
"455000"	158.087224	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M-2H"	-2.014552
"830045"	52.024224	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-2H"	-2.014552
"84568"	211.118724	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M-H"	-1.007276
"525219"	317.181724	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M-H"	-1.007276
"909232"	105.055724	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-H"	-1.007276
"59233"	228.145271	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M-2H+NH4"	16.019271
"501101"	334.208271	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M-2H+NH4"	16.019271
"878901"	122.082271	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-2H+NH4"	16.019271
"37202"	233.100666	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M-2H+Na"	20.974666
"480043"	339.163666	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M-2H+Na"	20.974666
"858941"	127.037666	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-2H+Na"	20.974666
"1630660"	127.037666	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Na-2H"	20.974666
"109255"	123.044063	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M-H+Cl"	33.962126
"548935"	176.075563	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M-H+Cl"	33.962126
"934794"	70.012563	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-H+Cl"	33.962126
"270798"	247.095402	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+Cl"	34.969402
"666866"	353.158402	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+Cl"	34.969402
"1287417"	141.032402	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Cl"	34.969402
"29482"	249.074606	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M-2H+K"	36.948606
"471193"	355.137606	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M-2H+K"	36.948606
"845392"	143.011606	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-2H+K"	36.948606
"1568150"	143.011606	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+K-2H"	36.948606
"957862"	151.061194	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-H+HCOOH"	44.998194
"374977"	257.124201	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+HCOOH-H"	44.998201
"361049"	271.139851	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+Hac-H"	59.013851
"1503682"	165.076851	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Hac-H"	59.013851
"972074"	173.043151	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-H+NaCOOH"	66.980151
"125559"	141.032402	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+2Cl"	69.938804
"565649"	194.063902	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+2Cl"	69.938804
"1032863"	88.000902	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2Cl"	69.938804
"1246974"	184.981885	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Br"	78.918885
"1313795"	187.037872	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Cl+HCOOH"	80.974872
"1323636"	209.019829	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Cl+NaCOOH"	102.956829
"912626"	219.048586	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M-H+CF3COOH"	112.985586
"1294686"	255.025264	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Cl+CF3COOH"	148.962264
"1371756"	71.050324	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H-2H2O"	-35.012676
"1395815"	89.0603	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H-H2O"	-17.0027
"295500"	213.133276	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+H"	1.007276
"686830"	319.196276	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+H"	1.007276
"1358805"	107.070276	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H"	1.007276
"136068"	107.070276	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+2H"	2.014552
"573440"	160.101776	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+2H"	2.014552
"1042966"	54.038776	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2H"	2.014552
"211234"	71.7159426666667	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+3H"	3.021828
"650063"	107.070276	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+3H"	3.021828
"1173289"	36.3616093333333	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+3H"	3.021828
"430009"	230.159823	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+NH4"	18.033823
"791006"	336.222823	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+NH4"	18.033823
"1685152"	124.096823	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+NH4"	18.033823
"336709"	115.5835495	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+H+NH4"	19.041099
"726942"	168.6150495	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+H+NH4"	19.041099
"1484045"	62.5520495	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H+NH4"	19.041099
"398349"	235.115218	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+Na"	22.989218
"756064"	341.178218	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+Na"	22.989218
"1606349"	129.052218	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Na"	22.989218
"318577"	118.061247	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+H+Na"	23.996494
"710999"	171.092747	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+H+Na"	23.996494
"1463726"	65.029747	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H+Na"	23.996494
"1055878"	43.6889233333333	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2H+Na"	25.00377
"1258161"	139.096486	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+CH3OH+H"	33.033486
"379772"	251.089158	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+K"	38.963158
"742588"	357.152158	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+K"	38.963158
"1542817"	145.026158	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+K"	38.963158
"299264"	126.048217	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+H+K"	39.970434
"691640"	179.079717	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+H+K"	39.970434
"1445868"	73.016717	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H+K"	39.970434
"236665"	254.159826	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+ACN+H"	42.033826
"1209916"	148.096826	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+ACN+H"	42.033826
"1194627"	74.552051	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+ACN+2H"	43.041102
"189035"	257.09716	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+2Na-H"	44.97116
"629083"	363.16016	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+2Na-H"	44.97116
"1131982"	151.03416	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2Na-H"	44.97116
"174792"	129.052218	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+2Na"	45.978436
"615330"	182.083718	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+2Na"	45.978436
"1118107"	76.020718	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2Na"	45.978436
"1401267"	51.0162373333333	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H+2Na"	46.985712
"1431559"	153.075746	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H+HCOOH"	47.012746
"221991"	134.08524	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+3H2O+2H"	56.04448
"1512247"	167.12779	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+IsoProp+H"	61.06479
"411566"	137.039188	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+Na+K"	61.952376
"772195"	190.070688	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+Na+K"	61.952376
"1666827"	84.007688	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Na+K"	61.952376
"254313"	276.141768	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+ACN+Na"	64.015768
"1226904"	170.078768	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+ACN+Na"	64.015768
"1713723"	170.102293	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+NH4+HCOOH"	64.039293
"1179272"	58.3435513333333	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+3Na"	68.967654
"1650548"	175.057688	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Na+HCOOH"	68.994688
"157651"	289.04504	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+2K-H"	76.91904
"598065"	395.10804	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+2K-H"	76.91904
"1084481"	182.98204	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2K-H"	76.91904
"142067"	145.026158	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"2M+2K"	77.926316
"595740"	198.057658	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"3M+2K"	77.926316
"1083537"	91.994658	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2K"	77.926316
"1114680"	184.996592	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2K+H"	78.933592
"1349737"	185.084207	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+DMSO+H"	79.021207
"1019362"	189.123376	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2ACN+H"	83.060376
"1539062"	190.117008	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+IsoProp+Na+H"	84.054008
"1003440"	95.065326	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+2ACN+2H"	84.067652
"1600250"	191.031628	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+K+HCOOH"	84.968628
"1428831"	221.063138	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+H+CF3COOH"	115.000138
"1160574"	115.578601	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+3ACN+2H"	125.094202
"1709030"	238.089685	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+NH4+CF3COOH"	132.026685
"1648694"	243.04508	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+Na+CF3COOH"	136.98208
"1584706"	259.01902	"C14689"	"Diethylene glycol;22-Oxydiethanol;15-Dihydroxy-3-oxapentane"	"C4H10O3"	"106.063"	"M+K+CF3COOH"	152.95602
"805229"	189.1953	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M"	0
"978762"	170.17691	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-H2O-H"	-19.01839
"70287"	125.122924	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M-3H"	-3.021828
"509848"	188.188024	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M-3H"	-3.021828
"885460"	62.057824	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-3H"	-3.021828
"12792"	188.188024	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M-2H"	-2.014552
"455029"	282.785674	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M-2H"	-2.014552
"831736"	93.590374	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-2H"	-2.014552
"89051"	377.383324	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M-H"	-1.007276
"524236"	566.578624	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M-H"	-1.007276
"910556"	188.188024	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-H"	-1.007276
"61164"	394.409871	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M-2H+NH4"	16.019271
"502464"	583.605171	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M-2H+NH4"	16.019271
"879132"	205.214571	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-2H+NH4"	16.019271
"42779"	399.365266	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M-2H+Na"	20.974666
"485619"	588.560566	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M-2H+Na"	20.974666
"860145"	210.169966	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-2H+Na"	20.974666
"1629676"	210.169966	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Na-2H"	20.974666
"108757"	206.176363	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M-H+Cl"	33.962126
"546858"	300.774013	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M-H+Cl"	33.962126
"931624"	111.578713	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-H+Cl"	33.962126
"270178"	413.360002	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+Cl"	34.969402
"666976"	602.555302	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+Cl"	34.969402
"1285951"	224.164702	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Cl"	34.969402
"29228"	415.339206	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M-2H+K"	36.948606
"470899"	604.534506	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M-2H+K"	36.948606
"848139"	226.143906	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-2H+K"	36.948606
"1570656"	226.143906	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+K-2H"	36.948606
"957806"	234.193494	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-H+HCOOH"	44.998194
"376796"	423.388801	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+HCOOH-H"	44.998201
"359700"	437.404451	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+Hac-H"	59.013851
"1507073"	248.209151	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Hac-H"	59.013851
"971333"	256.175451	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-H+NaCOOH"	66.980151
"125591"	224.164702	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+2Cl"	69.938804
"560894"	318.762352	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+2Cl"	69.938804
"1035525"	129.567052	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2Cl"	69.938804
"1249270"	268.114185	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Br"	78.918885
"1313905"	270.170172	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Cl+HCOOH"	80.974872
"1323746"	292.152129	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Cl+NaCOOH"	102.956829
"912616"	302.180886	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M-H+CF3COOH"	112.985586
"1291516"	338.157564	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Cl+CF3COOH"	148.962264
"1371866"	154.182624	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H-2H2O"	-35.012676
"1396292"	172.1926	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H-H2O"	-17.0027
"292330"	379.397876	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+H"	1.007276
"686942"	568.593176	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+H"	1.007276
"1358915"	190.202576	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H"	1.007276
"136178"	190.202576	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+2H"	2.014552
"573550"	284.800226	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+2H"	2.014552
"1041256"	95.604926	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2H"	2.014552
"213531"	127.137476	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+3H"	3.021828
"650903"	190.202576	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+3H"	3.021828
"1170120"	64.072376	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+3H"	3.021828
"427935"	396.424423	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+NH4"	18.033823
"790024"	585.619723	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+NH4"	18.033823
"1687449"	207.229123	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+NH4"	18.033823
"333173"	198.7158495	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+H+NH4"	19.041099
"725959"	293.3134995	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+H+NH4"	19.041099
"1484156"	104.1181995	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H+NH4"	19.041099
"400648"	401.379818	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+Na"	22.989218
"760551"	590.575118	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+Na"	22.989218
"1609743"	212.184518	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Na"	22.989218
"316500"	201.193547	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+H+Na"	23.996494
"711109"	295.791197	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+H+Na"	23.996494
"1461888"	106.595897	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H+Na"	23.996494
"1054165"	71.39969	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2H+Na"	25.00377
"1257213"	222.228786	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+CH3OH+H"	33.033486
"378788"	417.353758	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+K"	38.963158
"739538"	606.549058	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+K"	38.963158
"1540167"	228.158458	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+K"	38.963158
"299010"	209.180517	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+H+K"	39.970434
"691526"	303.778167	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+H+K"	39.970434
"1446022"	114.582867	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H+K"	39.970434
"235997"	420.424426	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+ACN+H"	42.033826
"1210088"	231.229126	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+ACN+H"	42.033826
"1194453"	116.118201	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+ACN+2H"	43.041102
"189146"	423.36176	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+2Na-H"	44.97116
"628553"	612.55706	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+2Na-H"	44.97116
"1131354"	234.16646	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2Na-H"	44.97116
"173689"	212.184518	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+2Na"	45.978436
"614347"	306.782168	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+2Na"	45.978436
"1117124"	117.586868	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2Na"	45.978436
"1401377"	78.727004	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H+2Na"	46.985712
"1431669"	236.208046	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H+HCOOH"	47.012746
"221740"	217.21754	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+3H2O+2H"	56.04448
"1510533"	250.26009	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+IsoProp+H"	61.06479
"410217"	220.171488	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+Na+K"	61.952376
"771573"	314.769138	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+Na+K"	61.952376
"1666209"	125.573838	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Na+K"	61.952376
"252360"	442.406368	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+ACN+Na"	64.015768
"1228596"	253.211068	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+ACN+Na"	64.015768
"1714929"	253.234593	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+NH4+HCOOH"	64.039293
"1178700"	86.054318	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+3Na"	68.967654
"1651631"	258.189988	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Na+HCOOH"	68.994688
"158007"	455.30964	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+2K-H"	76.91904
"597217"	644.50494	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+2K-H"	76.91904
"1084508"	266.11434	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2K-H"	76.91904
"141810"	228.158458	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"2M+2K"	77.926316
"596092"	322.756108	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"3M+2K"	77.926316
"1084020"	133.560808	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2K"	77.926316
"1115317"	268.128892	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2K+H"	78.933592
"1348389"	268.216507	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+DMSO+H"	79.021207
"1018379"	272.255676	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2ACN+H"	83.060376
"1539417"	273.249308	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+IsoProp+Na+H"	84.054008
"1004887"	136.631476	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+2ACN+2H"	84.067652
"1600725"	274.163928	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+K+HCOOH"	84.968628
"1429184"	304.195438	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+H+CF3COOH"	115.000138
"1160684"	157.144751	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+3ACN+2H"	125.094202
"1709140"	321.221985	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+NH4+CF3COOH"	132.026685
"1649656"	326.17738	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+Na+CF3COOH"	136.98208
"1584816"	342.15132	"C14690"	"Tetraethylenepentamine;111-Diamino-369-triazaundecane"	"C8H23N5"	"189.1953"	"M+K+CF3COOH"	152.95602
"808619"	101.1204	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M"	0
"982152"	82.10201	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-H2O-H"	-19.01839
"68210"	66.406324	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M-3H"	-3.021828
"509958"	100.113124	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M-3H"	-3.021828
"888850"	32.699524	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-3H"	-3.021828
"1957"	100.113124	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M-2H"	-2.014552
"439996"	150.673324	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M-2H"	-2.014552
"820418"	49.552924	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-2H"	-2.014552
"84788"	201.233524	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M-H"	-1.007276
"522159"	302.353924	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M-H"	-1.007276
"911029"	100.113124	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-H"	-1.007276
"59459"	218.260071	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M-2H+NH4"	16.019271
"502616"	319.380471	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M-2H+NH4"	16.019271
"878268"	117.139671	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-2H+NH4"	16.019271
"45076"	223.215466	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M-2H+Na"	20.974666
"484635"	324.335866	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M-2H+Na"	20.974666
"863171"	122.095066	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-2H+Na"	20.974666
"1630880"	122.095066	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Na-2H"	20.974666
"108502"	118.101463	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M-H+Cl"	33.962126
"546968"	168.661663	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M-H+Cl"	33.962126
"930640"	67.541263	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-H+Cl"	33.962126
"270288"	237.210202	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+Cl"	34.969402
"661614"	338.330602	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+Cl"	34.969402
"1287149"	136.089802	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Cl"	34.969402
"26422"	239.189406	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M-2H+K"	36.948606
"470360"	340.309806	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M-2H+K"	36.948606
"848501"	138.069006	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-2H+K"	36.948606
"1570932"	138.069006	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+K-2H"	36.948606
"956985"	146.118594	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-H+HCOOH"	44.998194
"375200"	247.239001	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+HCOOH-H"	44.998201
"356166"	261.254651	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+Hac-H"	59.013851
"1499894"	160.134251	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Hac-H"	59.013851
"964883"	168.100551	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-H+NaCOOH"	66.980151
"125540"	136.089802	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+2Cl"	69.938804
"564893"	186.650002	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+2Cl"	69.938804
"1035999"	85.529602	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2Cl"	69.938804
"1248287"	180.039285	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Br"	78.918885
"1312922"	182.095272	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Cl+HCOOH"	80.974872
"1320940"	204.077229	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Cl+NaCOOH"	102.956829
"916007"	214.105986	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M-H+CF3COOH"	112.985586
"1291626"	250.082664	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Cl+CF3COOH"	148.962264
"1373069"	66.107724	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H-2H2O"	-35.012676
"1395671"	84.1177	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H-H2O"	-17.0027
"292440"	203.248076	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+H"	1.007276
"686687"	304.368476	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+H"	1.007276
"1359025"	102.127676	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H"	1.007276
"133008"	102.127676	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+2H"	2.014552
"572567"	152.687876	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+2H"	2.014552
"1041367"	51.567476	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2H"	2.014552
"218379"	68.420876	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+3H"	3.021828
"653200"	102.127676	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+3H"	3.021828
"1172418"	34.714076	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+3H"	3.021828
"428046"	220.274623	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+NH4"	18.033823
"790135"	321.395023	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+NH4"	18.033823
"1686466"	119.154223	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+NH4"	18.033823
"331462"	110.6409495	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+H+NH4"	19.041099
"722909"	161.2011495	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+H+NH4"	19.041099
"1487546"	60.0807495	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H+NH4"	19.041099
"399667"	225.230018	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+Na"	22.989218
"760662"	326.350418	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+Na"	22.989218
"1609853"	124.109618	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Na"	22.989218
"318800"	113.118647	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+H+Na"	23.996494
"708305"	163.678847	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+H+Na"	23.996494
"1461636"	62.558447	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H+Na"	23.996494
"1056463"	42.04139	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2H+Na"	25.00377
"1259234"	134.153886	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+CH3OH+H"	33.033486
"379629"	241.203958	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+K"	38.963158
"740989"	342.324358	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+K"	38.963158
"1540974"	140.083558	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+K"	38.963158
"300585"	121.105617	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+H+K"	39.970434
"695559"	171.665817	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+H+K"	39.970434
"1445929"	70.545417	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H+K"	39.970434
"236887"	244.274626	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+ACN+H"	42.033826
"1210399"	143.154226	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+ACN+H"	42.033826
"1194482"	72.080751	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+ACN+2H"	43.041102
"189176"	247.21196	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+2Na-H"	44.97116
"629185"	348.33236	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+2Na-H"	44.97116
"1132043"	146.09156	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2Na-H"	44.97116
"173105"	124.109618	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+2Na"	45.978436
"613117"	174.669818	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+2Na"	45.978436
"1117966"	73.549418	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2Na"	45.978436
"1401490"	49.368704	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H+2Na"	46.985712
"1431049"	148.133146	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H+HCOOH"	47.012746
"220140"	129.14264	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+3H2O+2H"	56.04448
"1508857"	162.18519	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+IsoProp+H"	61.06479
"410694"	132.096588	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+Na+K"	61.952376
"771320"	182.656788	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+Na+K"	61.952376
"1665664"	81.536388	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Na+K"	61.952376
"251864"	266.256568	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+ACN+Na"	64.015768
"1225787"	165.136168	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+ACN+Na"	64.015768
"1712718"	165.159693	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+NH4+HCOOH"	64.039293
"1179299"	56.696018	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+3Na"	68.967654
"1650770"	170.115088	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Na+HCOOH"	68.994688
"157333"	279.15984	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+2K-H"	76.91904
"597306"	380.28024	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+2K-H"	76.91904
"1084217"	178.03944	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2K-H"	76.91904
"141595"	140.083558	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"2M+2K"	77.926316
"587814"	190.643758	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"3M+2K"	77.926316
"1081078"	89.523358	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2K"	77.926316
"1109913"	180.053992	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2K+H"	78.933592
"1349350"	180.141607	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+DMSO+H"	79.021207
"1021037"	184.180776	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2ACN+H"	83.060376
"1537333"	185.174408	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+IsoProp+Na+H"	84.054008
"1003781"	92.594026	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+2ACN+2H"	84.067652
"1597190"	186.089028	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+K+HCOOH"	84.968628
"1429538"	216.120538	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+H+CF3COOH"	115.000138
"1161888"	113.107301	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+3ACN+2H"	125.094202
"1709251"	233.147085	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+NH4+CF3COOH"	132.026685
"1649279"	238.10248	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+Na+CF3COOH"	136.98208
"1584926"	254.07642	"C14691"	"Triethylamine;NN-Diethylethanamine"	"C6H15N"	"101.1204"	"M+K+CF3COOH"	152.95602
"805449"	205.8134	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M"	0
"981169"	186.79501	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-H2O-H"	-19.01839
"70508"	136.201657333333	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M-3H"	-3.021828
"507882"	204.806124	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M-3H"	-3.021828
"882766"	67.5971906666667	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-3H"	-3.021828
"4254"	204.806124	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M-2H"	-2.014552
"442721"	307.712824	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M-2H"	-2.014552
"820163"	101.899424	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-2H"	-2.014552
"81618"	410.619524	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M-H"	-1.007276
"522269"	616.432924	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M-H"	-1.007276
"906637"	204.806124	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-H"	-1.007276
"60295"	427.646071	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M-2H+NH4"	16.019271
"502156"	633.459471	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M-2H+NH4"	16.019271
"876191"	221.832671	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-2H+NH4"	16.019271
"45186"	432.601466	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M-2H+Na"	20.974666
"481465"	638.414866	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M-2H+Na"	20.974666
"861094"	226.788066	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-2H+Na"	20.974666
"1628803"	226.788066	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Na-2H"	20.974666
"108248"	222.794463	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M-H+Cl"	33.962126
"545984"	325.701163	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M-H+Cl"	33.962126
"929657"	119.887763	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-H+Cl"	33.962126
"270398"	446.596202	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+Cl"	34.969402
"662821"	652.409602	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+Cl"	34.969402
"1286532"	240.782802	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Cl"	34.969402
"26532"	448.575406	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M-2H+K"	36.948606
"468283"	654.388806	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M-2H+K"	36.948606
"848174"	242.762006	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-2H+K"	36.948606
"1571225"	242.762006	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+K-2H"	36.948606
"956004"	250.811594	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-H+HCOOH"	44.998194
"376531"	456.625001	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+HCOOH-H"	44.998201
"360530"	470.640651	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+Hac-H"	59.013851
"1504014"	264.827251	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Hac-H"	59.013851
"973666"	272.793551	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-H+NaCOOH"	66.980151
"121554"	240.782802	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+2Cl"	69.938804
"565123"	343.689502	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+2Cl"	69.938804
"1032099"	137.876102	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2Cl"	69.938804
"1253499"	284.732285	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Br"	78.918885
"1313032"	286.788272	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Cl+HCOOH"	80.974872
"1323966"	308.770229	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Cl+NaCOOH"	102.956829
"916117"	318.798986	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M-H+CF3COOH"	112.985586
"1290642"	354.775664	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Cl+CF3COOH"	148.962264
"1373179"	170.800724	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H-2H2O"	-35.012676
"1392500"	188.8107	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H-H2O"	-17.0027
"290362"	412.634076	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+H"	1.007276
"684975"	618.447476	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+H"	1.007276
"1360229"	206.820676	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H"	1.007276
"133118"	206.820676	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+2H"	2.014552
"572677"	309.727376	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+2H"	2.014552
"1042570"	103.913976	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2H"	2.014552
"215573"	138.216209333333	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+3H"	3.021828
"653310"	206.820676	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+3H"	3.021828
"1170341"	69.6117426666667	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+3H"	3.021828
"429249"	429.660623	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+NH4"	18.033823
"790245"	635.474023	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+NH4"	18.033823
"1688763"	223.847223	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+NH4"	18.033823
"331572"	215.3339495	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+H+NH4"	19.041099
"724718"	318.2406495	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+H+NH4"	19.041099
"1487656"	112.4272495	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H+NH4"	19.041099
"397588"	434.616018	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+Na"	22.989218
"754803"	640.429418	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+Na"	22.989218
"1607777"	228.802618	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Na"	22.989218
"314818"	217.811647	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+H+Na"	23.996494
"707137"	320.718347	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+H+Na"	23.996494
"1461618"	114.904947	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H+Na"	23.996494
"1053292"	76.9390566666667	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2H+Na"	25.00377
"1257397"	238.846886	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+CH3OH+H"	33.033486
"382290"	450.589958	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+K"	38.963158
"739513"	656.403358	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+K"	38.963158
"1540470"	244.776558	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+K"	38.963158
"300695"	225.798617	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+H+K"	39.970434
"692144"	328.705317	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+H+K"	39.970434
"1445837"	122.891917	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H+K"	39.970434
"237118"	453.660626	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+ACN+H"	42.033826
"1210309"	247.847226	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+ACN+H"	42.033826
"1195040"	124.427251	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+ACN+2H"	43.041102
"189244"	456.59796	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+2Na-H"	44.97116
"631118"	662.41136	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+2Na-H"	44.97116
"1132800"	250.78456	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2Na-H"	44.97116
"174026"	228.802618	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+2Na"	45.978436
"614928"	331.709318	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+2Na"	45.978436
"1118076"	125.895918	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2Na"	45.978436
"1401236"	84.2663706666667	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H+2Na"	46.985712
"1430793"	252.826146	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H+HCOOH"	47.012746
"220204"	233.83564	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+3H2O+2H"	56.04448
"1509167"	266.87819	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+IsoProp+H"	61.06479
"408981"	236.789588	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+Na+K"	61.952376
"770700"	339.696288	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+Na+K"	61.952376
"1665772"	133.882888	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Na+K"	61.952376
"252217"	475.642568	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+ACN+Na"	64.015768
"1226136"	269.829168	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+ACN+Na"	64.015768
"1713351"	269.852693	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+NH4+HCOOH"	64.039293
"1179124"	91.5936846666667	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+3Na"	68.967654
"1650881"	274.808088	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Na+HCOOH"	68.994688
"157246"	488.54584	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+2K-H"	76.91904
"597458"	694.35924	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+2K-H"	76.91904
"1084555"	282.73244	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2K-H"	76.91904
"141612"	244.776558	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"2M+2K"	77.926316
"586101"	347.683258	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"3M+2K"	77.926316
"1073530"	141.869858	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2K"	77.926316
"1111115"	284.746992	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2K+H"	78.933592
"1348855"	284.834607	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+DMSO+H"	79.021207
"1021192"	288.873776	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2ACN+H"	83.060376
"1537322"	289.867408	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+IsoProp+Na+H"	84.054008
"1000608"	144.940526	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+2ACN+2H"	84.067652
"1597300"	290.782028	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+K+HCOOH"	84.968628
"1429769"	320.813538	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+H+CF3COOH"	115.000138
"1160904"	165.453801	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+3ACN+2H"	125.094202
"1709361"	337.840085	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+NH4+CF3COOH"	132.026685
"1648293"	342.79548	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+Na+CF3COOH"	136.98208
"1585036"	358.76942	"C14692"	"Chlorodibromomethane;Dibromochloromethane"	"CHBr2Cl"	"205.8134"	"M+K+CF3COOH"	152.95602
"805559"	220.1827	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M"	0
"982372"	201.16431	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"70617"	145.781190666667	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"507991"	219.175424	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"882512"	72.3869573333333	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"6550"	219.175424	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"450485"	329.266774	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"819904"	109.084074	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"81728"	439.358124	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"521284"	659.540824	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"905654"	219.175424	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"55654"	456.384671	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"498497"	676.567371	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"868642"	236.201971	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"38730"	461.340066	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"482668"	681.522766	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"862300"	241.157366	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1630007"	241.157366	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"107632"	237.163763	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"543907"	347.255113	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"930860"	127.072413	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"269414"	475.334802	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"660744"	695.517502	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1285550"	255.152102	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"26642"	477.314006	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"468394"	697.496706	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"847914"	257.131306	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1570673"	257.131306	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"955386"	265.180894	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"376519"	485.363601	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"358578"	499.379251	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1505583"	279.196551	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"972397"	287.162851	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"121664"	255.152102	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"564141"	365.243452	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1034404"	145.060752	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1256528"	299.101585	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1318245"	301.157572	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1330636"	323.139529	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"920602"	333.168286	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1290750"	369.144964	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1375478"	185.170024	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1395528"	203.18	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"292660"	441.372676	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"686179"	661.555376	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1362892"	221.189976	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"132134"	221.189976	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"572788"	331.281326	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1041587"	111.098626	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"212767"	147.795742666667	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"659498"	221.189976	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1172640"	74.4015093333333	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"429359"	458.399223	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"793635"	678.581923	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1692153"	238.216523	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"333140"	229.7032495	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"725559"	339.7945995	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1484486"	119.6118995	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"397698"	463.354618	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"755166"	683.537318	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1608977"	243.171918	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"314764"	232.180947	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"707790"	342.272297	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1461614"	122.089597	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1054009"	81.7288233333333	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1259820"	253.216186	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"382037"	479.328558	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"743396"	699.511258	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1540464"	259.145858	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"301169"	240.167917	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"693955"	350.259267	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1446193"	130.076567	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"236738"	482.399226	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1216378"	262.216526	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1196614"	131.611901	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"190333"	485.33656	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"630866"	705.51926	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1134370"	265.15386	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"175109"	243.171918	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"614677"	353.263268	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1119647"	133.080568	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1400983"	89.0561373333333	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1433093"	267.195446	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"220600"	248.20494	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1510126"	281.24749	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"409171"	251.158888	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"770362"	361.250238	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1666652"	141.067538	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"252686"	504.381168	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1226853"	284.198468	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1712861"	284.221993	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1179399"	96.3834513333333	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1650624"	289.177388	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"157441"	517.28444	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"597406"	737.46714	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1085075"	297.10174	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"141891"	259.145858	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"583655"	369.237208	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1072544"	149.054508	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1103203"	299.116292	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1347993"	299.203907	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1020406"	303.243076	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1537552"	304.236708	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1000718"	152.125176	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1597410"	305.151328	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1429394"	335.182838	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1156639"	172.638451	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1709471"	352.209385	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1648403"	357.16478	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1585146"	373.13872	"C14693"	"Butylhydroxytoluene;BHT;26-Di-t-butyl-4-methylphenol;26-Di-tert-butyl-p-cresol;Butylated hydroxytoluene;26-Bis(11-dimethylethyl)-4-methylphenol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"817023"	219.1048	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M"	0
"987954"	200.08641	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-H2O-H"	-19.01839
"70730"	145.062590666667	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M-3H"	-3.021828
"509196"	218.097524	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M-3H"	-3.021828
"885904"	72.0276573333333	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-3H"	-3.021828
"4477"	218.097524	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M-2H"	-2.014552
"445131"	327.649924	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M-2H"	-2.014552
"820745"	108.545124	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-2H"	-2.014552
"91680"	437.202324	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M-H"	-1.007276
"529053"	656.307124	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M-H"	-1.007276
"906857"	218.097524	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-H"	-1.007276
"59046"	454.228871	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M-2H+NH4"	16.019271
"498606"	673.333671	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M-2H+NH4"	16.019271
"874220"	235.124071	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-2H+NH4"	16.019271
"38840"	459.184266	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M-2H+Na"	20.974666
"483873"	678.289066	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M-2H+Na"	20.974666
"859488"	240.079466	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-2H+Na"	20.974666
"1631937"	240.079466	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Na-2H"	20.974666
"104455"	236.085863	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M-H+Cl"	33.962126
"540733"	345.638263	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M-H+Cl"	33.962126
"936435"	126.533463	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-H+Cl"	33.962126
"269525"	473.179002	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+Cl"	34.969402
"663040"	692.283802	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+Cl"	34.969402
"1286024"	254.074202	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Cl"	34.969402
"28941"	475.158206	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M-2H+K"	36.948606
"470329"	694.263006	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M-2H+K"	36.948606
"847782"	256.053406	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-2H+K"	36.948606
"1570294"	256.053406	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+K-2H"	36.948606
"958398"	264.102994	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-H+HCOOH"	44.998194
"376024"	483.207801	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+HCOOH-H"	44.998201
"358689"	497.223451	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+Hac-H"	59.013851
"1505329"	278.118651	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Hac-H"	59.013851
"972144"	286.084951	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-H+NaCOOH"	66.980151
"122871"	254.074202	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+2Cl"	69.938804
"563893"	363.626602	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+2Cl"	69.938804
"1034877"	144.521802	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2Cl"	69.938804
"1255908"	298.023685	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Br"	78.918885
"1319085"	300.079672	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Cl+HCOOH"	80.974872
"1333664"	322.061629	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Cl+NaCOOH"	102.956829
"925089"	332.090386	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M-H+CF3COOH"	112.985586
"1295234"	368.067064	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Cl+CF3COOH"	148.962264
"1378871"	184.092124	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H-2H2O"	-35.012676
"1394182"	202.1021	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H-H2O"	-17.0027
"294597"	439.216876	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+H"	1.007276
"688844"	658.321676	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+H"	1.007276
"1364828"	220.112076	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H"	1.007276
"135163"	220.112076	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+2H"	2.014552
"573991"	329.664476	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+2H"	2.014552
"1047531"	110.559676	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2H"	2.014552
"211785"	147.077142666667	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+3H"	3.021828
"659529"	220.112076	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+3H"	3.021828
"1171295"	74.0422093333333	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+3H"	3.021828
"428377"	456.243423	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+NH4"	18.033823
"792652"	675.348223	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+NH4"	18.033823
"1692263"	237.138623	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+NH4"	18.033823
"333978"	228.6253495	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+H+NH4"	19.041099
"724941"	338.1777495	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+H+NH4"	19.041099
"1483504"	119.0729495	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H+NH4"	19.041099
"399996"	461.198818	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+Na"	22.989218
"758803"	680.303618	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+Na"	22.989218
"1606171"	242.094018	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Na"	22.989218
"316940"	231.103047	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+H+Na"	23.996494
"710458"	340.655447	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+H+Na"	23.996494
"1466466"	121.550647	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H+Na"	23.996494
"1055336"	81.3695233333333	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2H+Na"	25.00377
"1262484"	252.138286	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+CH3OH+H"	33.033486
"382149"	477.172758	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+K"	38.963158
"745329"	696.277558	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+K"	38.963158
"1545564"	258.067958	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+K"	38.963158
"302373"	239.090017	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+H+K"	39.970434
"692975"	348.642417	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+H+K"	39.970434
"1446795"	129.537617	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H+K"	39.970434
"236125"	480.243426	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+ACN+H"	42.033826
"1212113"	261.138626	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+ACN+H"	42.033826
"1195267"	131.072951	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+ACN+2H"	43.041102
"189837"	483.18076	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+2Na-H"	44.97116
"631339"	702.28556	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+2Na-H"	44.97116
"1136674"	264.07596	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2Na-H"	44.97116
"174857"	242.094018	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+2Na"	45.978436
"614782"	351.646418	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+2Na"	45.978436
"1122673"	132.541618	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2Na"	45.978436
"1403280"	88.6968373333333	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H+2Na"	46.985712
"1437220"	266.117546	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H+HCOOH"	47.012746
"220713"	247.12704	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+3H2O+2H"	56.04448
"1509148"	280.16959	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+IsoProp+H"	61.06479
"412485"	250.080988	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+Na+K"	61.952376
"772021"	359.633388	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+Na+K"	61.952376
"1666891"	140.528588	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Na+K"	61.952376
"251831"	502.225368	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+ACN+Na"	64.015768
"1226848"	283.120568	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+ACN+Na"	64.015768
"1714271"	283.144093	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+NH4+HCOOH"	64.039293
"1179874"	96.0241513333333	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+3Na"	68.967654
"1650251"	288.099488	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Na+HCOOH"	68.994688
"157511"	515.12864	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+2K-H"	76.91904
"597766"	734.23344	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+2K-H"	76.91904
"1084706"	296.02384	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2K-H"	76.91904
"141530"	258.067958	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"2M+2K"	77.926316
"585956"	367.620358	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"3M+2K"	77.926316
"1074843"	148.515558	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2K"	77.926316
"1106959"	298.038392	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2K+H"	78.933592
"1350399"	298.126007	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+DMSO+H"	79.021207
"1016253"	302.165176	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2ACN+H"	83.060376
"1533285"	303.158808	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+IsoProp+Na+H"	84.054008
"999735"	151.586226	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+2ACN+2H"	84.067652
"1594239"	304.073428	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+K+HCOOH"	84.968628
"1428650"	334.104938	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+H+CF3COOH"	115.000138
"1156749"	172.099501	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+3ACN+2H"	125.094202
"1708487"	351.131485	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+NH4+CF3COOH"	132.026685
"1645233"	356.08688	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+Na+CF3COOH"	136.98208
"1585256"	372.06082	"C14694"	"N-Phenyl-2-naphthylamine;Neozone;2-Phenylaminonaphthalene"	"C16H13N"	"219.1048"	"M+K+CF3COOH"	152.95602
"805779"	191.043	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M"	0
"986966"	172.02461	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-H2O-H"	-19.01839
"68650"	126.354724	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M-3H"	-3.021828
"506024"	190.035724	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M-3H"	-3.021828
"880341"	62.673724	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-3H"	-3.021828
"4585"	190.035724	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M-2H"	-2.014552
"448519"	285.557224	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M-2H"	-2.014552
"817574"	94.514224	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-2H"	-2.014552
"88509"	381.078724	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M-H"	-1.007276
"522601"	572.121724	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M-H"	-1.007276
"906967"	190.035724	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-H"	-1.007276
"55874"	398.105271	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M-2H+NH4"	16.019271
"496528"	589.148271	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M-2H+NH4"	16.019271
"867769"	207.062271	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-2H+NH4"	16.019271
"38951"	403.060666	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M-2H+Na"	20.974666
"479611"	594.103666	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M-2H+Na"	20.974666
"857412"	212.017666	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-2H+Na"	20.974666
"1629131"	212.017666	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Na-2H"	20.974666
"104565"	208.024063	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M-H+Cl"	33.962126
"541937"	303.545563	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M-H+Cl"	33.962126
"929983"	112.502563	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-H+Cl"	33.962126
"269636"	417.055402	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+Cl"	34.969402
"663148"	608.098402	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+Cl"	34.969402
"1287591"	226.012402	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Cl"	34.969402
"28687"	419.034606	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M-2H+K"	36.948606
"471278"	610.077606	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M-2H+K"	36.948606
"847161"	227.991606	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-2H+K"	36.948606
"1571012"	227.991606	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+K-2H"	36.948606
"957722"	236.041194	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-H+HCOOH"	44.998194
"376620"	427.084201	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+HCOOH-H"	44.998201
"359891"	441.099851	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+Hac-H"	59.013851
"1504345"	250.056851	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Hac-H"	59.013851
"970790"	258.023151	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-H+NaCOOH"	66.980151
"121884"	226.012402	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+2Cl"	69.938804
"565097"	321.533902	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+2Cl"	69.938804
"1036691"	130.490902	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2Cl"	69.938804
"1256018"	269.961885	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Br"	78.918885
"1319642"	272.017872	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Cl+HCOOH"	80.974872
"1331588"	293.999829	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Cl+NaCOOH"	102.956829
"925927"	304.028586	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M-H+CF3COOH"	112.985586
"1294617"	340.005264	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Cl+CF3COOH"	148.962264
"1375698"	156.030324	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H-2H2O"	-35.012676
"1392104"	174.0403	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H-H2O"	-17.0027
"295070"	383.093276	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+H"	1.007276
"689683"	574.136276	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+H"	1.007276
"1366641"	192.050276	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H"	1.007276
"135637"	192.050276	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+2H"	2.014552
"577385"	287.571776	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+2H"	2.014552
"1048736"	96.528776	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2H"	2.014552
"218337"	128.369276	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+3H"	3.021828
"655830"	192.050276	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+3H"	3.021828
"1169582"	64.688276	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+3H"	3.021828
"431767"	400.119823	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+NH4"	18.033823
"796042"	591.162823	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+NH4"	18.033823
"1691280"	209.076823	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+NH4"	18.033823
"333360"	200.5635495	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+H+NH4"	19.041099
"725780"	296.0850495	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+H+NH4"	19.041099
"1485801"	105.0420495	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H+NH4"	19.041099
"400106"	405.075218	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+Na"	22.989218
"760006"	596.118218	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+Na"	22.989218
"1607010"	214.032218	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Na"	22.989218
"320329"	203.041247	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+H+Na"	23.996494
"710568"	298.562747	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+H+Na"	23.996494
"1469856"	107.519747	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H+Na"	23.996494
"1056540"	72.01559	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2H+Na"	25.00377
"1261501"	224.076486	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+CH3OH+H"	33.033486
"380074"	421.049158	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+K"	38.963158
"745441"	612.092158	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+K"	38.963158
"1544219"	230.006158	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+K"	38.963158
"304673"	211.028217	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+H+K"	39.970434
"696003"	306.549717	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+H+K"	39.970434
"1448000"	115.506717	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H+K"	39.970434
"236150"	424.119826	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+ACN+H"	42.033826
"1213319"	233.076826	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+ACN+H"	42.033826
"1196108"	117.042051	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+ACN+2H"	43.041102
"189220"	427.05716	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+2Na-H"	44.97116
"631457"	618.10016	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+2Na-H"	44.97116
"1133257"	236.01416	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2Na-H"	44.97116
"174603"	214.032218	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+2Na"	45.978436
"616346"	309.553718	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+2Na"	45.978436
"1122783"	118.510718	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2Na"	45.978436
"1403026"	79.342904	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H+2Na"	46.985712
"1438424"	238.055746	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H+HCOOH"	47.012746
"221319"	219.06524	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+3H2O+2H"	56.04448
"1508529"	252.10779	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+IsoProp+H"	61.06479
"412596"	222.019188	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+Na+K"	61.952376
"772497"	317.540688	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+Na+K"	61.952376
"1668097"	126.497688	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Na+K"	61.952376
"252063"	446.101768	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+ACN+Na"	64.015768
"1227324"	255.058768	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+ACN+Na"	64.015768
"1712751"	255.082293	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+NH4+HCOOH"	64.039293
"1180102"	86.670218	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+3Na"	68.967654
"1650239"	260.037688	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Na+HCOOH"	68.994688
"157154"	459.00504	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+2K-H"	76.91904
"598121"	650.04804	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+2K-H"	76.91904
"1084412"	267.96204	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2K-H"	76.91904
"141457"	230.006158	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"2M+2K"	77.926316
"586066"	325.527658	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"3M+2K"	77.926316
"1073859"	134.484658	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2K"	77.926316
"1107069"	269.976592	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2K+H"	78.933592
"1350021"	270.064207	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+DMSO+H"	79.021207
"1016363"	274.103376	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2ACN+H"	83.060376
"1533395"	275.097008	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+IsoProp+Na+H"	84.054008
"997654"	137.555326	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+2ACN+2H"	84.067652
"1595442"	276.011628	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+K+HCOOH"	84.968628
"1426572"	306.043138	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+H+CF3COOH"	115.000138
"1156859"	158.068601	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+3ACN+2H"	125.094202
"1709690"	323.069685	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+NH4+CF3COOH"	132.026685
"1645343"	328.02508	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+Na+CF3COOH"	136.98208
"1585366"	343.99902	"C14695"	"Nitrilotriacetic acid;Triglycollamic acid;Nitrilotriacetate"	"C6H9NO6"	"191.043"	"M+K+CF3COOH"	152.95602
"814637"	144.1514	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M"	0
"981609"	125.13301	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-H2O-H"	-19.01839
"70949"	95.0936573333333	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M-3H"	-3.021828
"505042"	143.144124	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M-3H"	-3.021828
"883936"	47.0431906666667	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-3H"	-3.021828
"4695"	143.144124	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M-2H"	-2.014552
"445349"	215.219824	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M-2H"	-2.014552
"822056"	71.068424	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-2H"	-2.014552
"85339"	287.295524	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M-H"	-1.007276
"523804"	431.446924	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M-H"	-1.007276
"903797"	143.144124	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-H"	-1.007276
"52704"	304.322071	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M-2H+NH4"	16.019271
"493358"	448.473471	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M-2H+NH4"	16.019271
"866054"	160.170671	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-2H+NH4"	16.019271
"35781"	309.277466	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M-2H+Na"	20.974666
"478625"	453.428866	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M-2H+Na"	20.974666
"856427"	165.126066	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-2H+Na"	20.974666
"1627054"	165.126066	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Na-2H"	20.974666
"99208"	161.132463	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M-H+Cl"	33.962126
"539859"	233.208163	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M-H+Cl"	33.962126
"928270"	89.056763	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-H+Cl"	33.962126
"268772"	323.272202	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+Cl"	34.969402
"663257"	467.423602	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+Cl"	34.969402
"1287337"	179.120802	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Cl"	34.969402
"29162"	325.251406	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M-2H+K"	36.948606
"471320"	469.402806	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M-2H+K"	36.948606
"846535"	181.100006	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-2H+K"	36.948606
"1571116"	181.100006	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+K-2H"	36.948606
"957419"	189.149594	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-H+HCOOH"	44.998194
"376364"	333.301001	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+HCOOH-H"	44.998201
"360365"	347.316651	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+Hac-H"	59.013851
"1501175"	203.165251	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Hac-H"	59.013851
"967621"	211.131551	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-H+NaCOOH"	66.980151
"121995"	179.120802	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+2Cl"	69.938804
"562647"	251.196502	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+2Cl"	69.938804
"1036972"	107.045102	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2Cl"	69.938804
"1256940"	223.070285	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Br"	78.918885
"1315658"	225.126272	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Cl+HCOOH"	80.974872
"1330968"	247.108229	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Cl+NaCOOH"	102.956829
"926768"	257.136986	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M-H+CF3COOH"	112.985586
"1293632"	293.113664	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Cl+CF3COOH"	148.962264
"1376901"	109.138724	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H-2H2O"	-35.012676
"1392213"	127.1487	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H-H2O"	-17.0027
"290804"	289.310076	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+H"	1.007276
"683230"	433.461476	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+H"	1.007276
"1359215"	145.158676	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H"	1.007276
"134655"	145.158676	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+2H"	2.014552
"575672"	217.234376	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+2H"	2.014552
"1045929"	73.082976	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2H"	2.014552
"213100"	97.1082093333333	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+3H"	3.021828
"646826"	145.158676	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+3H"	3.021828
"1164226"	49.0577426666667	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+3H"	3.021828
"431877"	306.336623	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+NH4"	18.033823
"792872"	450.488023	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+NH4"	18.033823
"1687016"	162.185223	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+NH4"	18.033823
"334198"	153.6719495	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+H+NH4"	19.041099
"727712"	225.7476495	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+H+NH4"	19.041099
"1483724"	81.5962495	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H+NH4"	19.041099
"400216"	311.292018	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+Na"	22.989218
"759024"	455.443418	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+Na"	22.989218
"1608217"	167.140618	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Na"	22.989218
"317161"	156.149647	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+H+Na"	23.996494
"712865"	228.225347	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+H+Na"	23.996494
"1469966"	84.073947	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H+Na"	23.996494
"1055557"	56.3850566666667	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2H+Na"	25.00377
"1265985"	177.184886	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+CH3OH+H"	33.033486
"383463"	327.265958	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+K"	38.963158
"744456"	471.417358	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+K"	38.963158
"1543237"	183.114558	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+K"	38.963158
"302229"	164.136617	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+H+K"	39.970434
"692832"	236.212317	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+H+K"	39.970434
"1445760"	92.060917	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H+K"	39.970434
"235781"	330.336626	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+ACN+H"	42.033826
"1210512"	186.185226	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+ACN+H"	42.033826
"1194759"	93.596251	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+ACN+2H"	43.041102
"191641"	333.27396	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+2Na-H"	44.97116
"629012"	477.42536	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+2Na-H"	44.97116
"1134335"	189.12256	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2Na-H"	44.97116
"175437"	167.140618	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+2Na"	45.978436
"614393"	239.216318	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+2Na"	45.978436
"1118030"	95.064918	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2Na"	45.978436
"1399972"	63.7123706666667	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H+2Na"	46.985712
"1436348"	191.164146	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H+HCOOH"	47.012746
"221308"	172.17364	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+3H2O+2H"	56.04448
"1511924"	205.21619	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+IsoProp+H"	61.06479
"412706"	175.127588	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+Na+K"	61.952376
"771878"	247.203288	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+Na+K"	61.952376
"1667842"	103.051888	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Na+K"	61.952376
"252052"	352.318568	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+ACN+Na"	64.015768
"1228527"	208.167168	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+ACN+Na"	64.015768
"1713405"	208.190693	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+NH4+HCOOH"	64.039293
"1178878"	71.0396846666667	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+3Na"	68.967654
"1650839"	213.146088	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Na+HCOOH"	68.994688
"157247"	365.22184	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+2K-H"	76.91904
"597501"	509.37324	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+2K-H"	76.91904
"1084806"	221.07044	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2K-H"	76.91904
"141455"	183.114558	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"2M+2K"	77.926316
"583989"	255.190258	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"3M+2K"	77.926316
"1075063"	111.038858	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2K"	77.926316
"1104993"	223.084992	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2K+H"	78.933592
"1347944"	223.172607	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+DMSO+H"	79.021207
"1016473"	227.211776	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2ACN+H"	83.060376
"1530225"	228.205408	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+IsoProp+Na+H"	84.054008
"995577"	114.109526	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+2ACN+2H"	84.067652
"1595552"	229.120028	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+K+HCOOH"	84.968628
"1425586"	259.151538	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+H+CF3COOH"	115.000138
"1156969"	134.622801	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+3ACN+2H"	125.094202
"1703239"	276.178085	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+NH4+CF3COOH"	132.026685
"1645453"	281.13348	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+Na+CF3COOH"	136.98208
"1585476"	297.10742	"C14696"	"1-Nonanol;n-Nonyl alcohol;1-Hydroxynonane"	"C9H20O"	"144.1514"	"M+K+CF3COOH"	152.95602
"805999"	164.1201	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M"	0
"987187"	145.10171	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-H2O-H"	-19.01839
"72152"	108.406124	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M-3H"	-3.021828
"504058"	163.112824	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M-3H"	-3.021828
"886233"	53.699424	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-3H"	-3.021828
"4805"	163.112824	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M-2H"	-2.014552
"446552"	245.172874	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M-2H"	-2.014552
"823261"	81.052774	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-2H"	-2.014552
"85449"	327.232924	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M-H"	-1.007276
"521728"	491.353024	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M-H"	-1.007276
"900627"	163.112824	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-H"	-1.007276
"49534"	344.259471	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M-2H+NH4"	16.019271
"487229"	508.379571	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M-2H+NH4"	16.019271
"865801"	180.139371	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-2H+NH4"	16.019271
"35891"	349.214866	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M-2H+Na"	20.974666
"473265"	513.334966	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M-2H+Na"	20.974666
"855444"	185.094766	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-2H+Na"	20.974666
"1626071"	185.094766	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Na-2H"	20.974666
"101505"	181.101163	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M-H+Cl"	33.962126
"535596"	263.161213	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M-H+Cl"	33.962126
"928014"	99.041113	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-H+Cl"	33.962126
"272039"	363.209602	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+Cl"	34.969402
"660690"	527.329702	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+Cl"	34.969402
"1287811"	199.089502	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Cl"	34.969402
"28909"	365.188806	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M-2H+K"	36.948606
"469564"	529.308906	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M-2H+K"	36.948606
"847372"	201.068706	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-2H+K"	36.948606
"1569761"	201.068706	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+K-2H"	36.948606
"957652"	209.118294	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-H+HCOOH"	44.998194
"375132"	373.238401	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+HCOOH-H"	44.998201
"359381"	387.254051	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+Hac-H"	59.013851
"1501285"	223.133951	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Hac-H"	59.013851
"961535"	231.100251	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-H+NaCOOH"	66.980151
"113357"	199.089502	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+2Cl"	69.938804
"556198"	281.149552	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+2Cl"	69.938804
"1030464"	117.029452	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2Cl"	69.938804
"1248949"	243.038985	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Br"	78.918885
"1311396"	245.094972	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Cl+HCOOH"	80.974872
"1332902"	267.076929	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Cl+NaCOOH"	102.956829
"922137"	277.105686	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M-H+CF3COOH"	112.985586
"1289734"	313.082364	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Cl+CF3COOH"	148.962264
"1375918"	129.107424	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H-2H2O"	-35.012676
"1391229"	147.1174	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H-H2O"	-17.0027
"296017"	329.247476	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+H"	1.007276
"684433"	493.367576	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+H"	1.007276
"1361877"	165.127376	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H"	1.007276
"135858"	165.127376	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+2H"	2.014552
"575416"	247.187426	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+2H"	2.014552
"1047862"	83.067326	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2H"	2.014552
"213939"	110.420676	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+3H"	3.021828
"647665"	165.127376	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+3H"	3.021828
"1171988"	55.713976	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+3H"	3.021828
"428707"	346.274023	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+NH4"	18.033823
"792981"	510.394123	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+NH4"	18.033823
"1690406"	182.153923	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+NH4"	18.033823
"335402"	173.6406495	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+H+NH4"	19.041099
"726364"	255.7006995	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+H+NH4"	19.041099
"1482741"	91.5805995	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H+NH4"	19.041099
"402150"	351.229418	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+Na"	22.989218
"761321"	515.349518	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+Na"	22.989218
"1611606"	187.109318	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Na"	22.989218
"318364"	176.118347	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+H+Na"	23.996494
"712975"	258.178397	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+H+Na"	23.996494
"1470805"	94.058297	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H+Na"	23.996494
"1062228"	63.04129	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2H+Na"	25.00377
"1266095"	197.153586	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+CH3OH+H"	33.033486
"383573"	367.203358	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+K"	38.963158
"747847"	531.323458	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+K"	38.963158
"1543349"	203.083258	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+K"	38.963158
"299790"	184.105317	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+H+K"	39.970434
"692942"	266.165367	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+H+K"	39.970434
"1445655"	102.045267	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H+K"	39.970434
"235775"	370.274026	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+ACN+H"	42.033826
"1210054"	206.153926	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+ACN+H"	42.033826
"1194990"	103.580601	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+ACN+2H"	43.041102
"189319"	373.21136	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+2Na-H"	44.97116
"629490"	537.33146	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+2Na-H"	44.97116
"1133716"	209.09126	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2Na-H"	44.97116
"174820"	187.109318	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+2Na"	45.978436
"614747"	269.169368	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+2Na"	45.978436
"1117288"	105.049268	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2Na"	45.978436
"1399840"	70.368604	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H+2Na"	46.985712
"1439739"	211.132846	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H+HCOOH"	47.012746
"220811"	192.14234	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+3H2O+2H"	56.04448
"1509359"	225.18489	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+IsoProp+H"	61.06479
"412815"	195.096288	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+Na+K"	61.952376
"771624"	277.156338	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+Na+K"	61.952376
"1666860"	113.036238	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Na+K"	61.952376
"251835"	392.255968	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+ACN+Na"	64.015768
"1229368"	228.135868	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+ACN+Na"	64.015768
"1715339"	228.159393	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+NH4+HCOOH"	64.039293
"1179600"	77.695918	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+3Na"	68.967654
"1652773"	233.114788	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Na+HCOOH"	68.994688
"157810"	405.15924	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+2K-H"	76.91904
"597612"	569.27934	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+2K-H"	76.91904
"1084431"	241.03914	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2K-H"	76.91904
"141855"	203.083258	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"2M+2K"	77.926316
"587379"	285.143308	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"3M+2K"	77.926316
"1074080"	121.023208	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2K"	77.926316
"1106196"	243.053692	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2K+H"	78.933592
"1345867"	243.141307	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+DMSO+H"	79.021207
"1015490"	247.180476	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2ACN+H"	83.060376
"1532520"	248.174108	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+IsoProp+Na+H"	84.054008
"996780"	124.093876	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+2ACN+2H"	84.067652
"1592382"	249.088728	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+K+HCOOH"	84.968628
"1422416"	279.120238	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+H+CF3COOH"	115.000138
"1155986"	144.607151	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+3ACN+2H"	125.094202
"1706629"	296.146785	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+NH4+CF3COOH"	132.026685
"1645563"	301.10218	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+Na+CF3COOH"	136.98208
"1585586"	317.07612	"C14697"	"4-Isopentylphenol;p-Isoamylphenol"	"C11H16O"	"164.1201"	"M+K+CF3COOH"	152.95602
"806109"	192.1514	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M"	0
"989527"	173.13301	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-H2O-H"	-19.01839
"72262"	127.093657333333	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M-3H"	-3.021828
"511822"	191.144124	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M-3H"	-3.021828
"894605"	63.0431906666667	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-3H"	-3.021828
"10383"	191.144124	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M-2H"	-2.014552
"447757"	287.219824	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M-2H"	-2.014552
"826652"	95.068424	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-2H"	-2.014552
"83372"	383.295524	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M-H"	-1.007276
"521838"	575.446924	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M-H"	-1.007276
"902924"	191.144124	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-H"	-1.007276
"52924"	400.322071	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M-2H+NH4"	16.019271
"490298"	592.473471	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M-2H+NH4"	16.019271
"867005"	208.170671	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-2H+NH4"	16.019271
"36001"	405.277466	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M-2H+Na"	20.974666
"473375"	597.428866	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M-2H+Na"	20.974666
"857738"	213.126066	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-2H+Na"	20.974666
"1626181"	213.126066	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Na-2H"	20.974666
"98335"	209.132463	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M-H+Cl"	33.962126
"540079"	305.208163	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M-H+Cl"	33.962126
"929219"	113.056763	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-H+Cl"	33.962126
"271056"	419.272202	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+Cl"	34.969402
"662747"	611.423602	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+Cl"	34.969402
"1287196"	227.120802	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Cl"	34.969402
"29019"	421.251406	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M-2H+K"	36.948606
"470769"	613.402806	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M-2H+K"	36.948606
"847607"	229.100006	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-2H+K"	36.948606
"1571089"	229.100006	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+K-2H"	36.948606
"956669"	237.149594	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-H+HCOOH"	44.998194
"375607"	429.301001	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+HCOOH-H"	44.998201
"357303"	443.316651	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+Hac-H"	59.013851
"1501395"	251.165251	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Hac-H"	59.013851
"966747"	259.131551	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-H+NaCOOH"	66.980151
"123308"	227.120802	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+2Cl"	69.938804
"563967"	323.196502	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+2Cl"	69.938804
"1036042"	131.045102	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2Cl"	69.938804
"1254894"	271.070285	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Br"	78.918885
"1318799"	273.126272	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Cl+HCOOH"	80.974872
"1335201"	295.108229	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Cl+NaCOOH"	102.956829
"926583"	305.136986	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M-H+CF3COOH"	112.985586
"1295676"	341.113664	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Cl+CF3COOH"	148.962264
"1378215"	157.138724	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H-2H2O"	-35.012676
"1396809"	175.1487	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H-H2O"	-17.0027
"293940"	385.310076	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+H"	1.007276
"689649"	577.461476	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+H"	1.007276
"1365997"	193.158676	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H"	1.007276
"138884"	193.158676	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+2H"	2.014552
"576621"	289.234376	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+2H"	2.014552
"1045419"	97.082976	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2H"	2.014552
"215506"	129.108209333333	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+3H"	3.021828
"649598"	193.158676	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+3H"	3.021828
"1172098"	65.0577426666667	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+3H"	3.021828
"429909"	402.336623	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+NH4"	18.033823
"794185"	594.488023	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+NH4"	18.033823
"1691610"	210.185223	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+NH4"	18.033823
"338794"	201.6719495	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+H+NH4"	19.041099
"726841"	297.7476495	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+H+NH4"	19.041099
"1482850"	105.5962495	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H+NH4"	19.041099
"400436"	407.292018	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+Na"	22.989218
"759244"	599.443418	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+Na"	22.989218
"1607341"	215.140618	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Na"	22.989218
"321754"	204.149647	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+H+Na"	23.996494
"713085"	300.225347	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+H+Na"	23.996494
"1467998"	108.073947	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H+Na"	23.996494
"1062338"	72.3850566666667	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2H+Na"	25.00377
"1268391"	225.184886	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+CH3OH+H"	33.033486
"382591"	423.265958	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+K"	38.963158
"744678"	615.417358	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+K"	38.963158
"1550019"	231.114558	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+K"	38.963158
"302819"	212.136617	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+H+K"	39.970434
"694511"	308.212317	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+H+K"	39.970434
"1450154"	116.060917	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H+K"	39.970434
"237660"	426.336626	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+ACN+H"	42.033826
"1212922"	234.185226	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+ACN+H"	42.033826
"1196076"	117.596251	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+ACN+2H"	43.041102
"189310"	429.27396	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+2Na-H"	44.97116
"629235"	621.42536	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+2Na-H"	44.97116
"1133103"	237.12256	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2Na-H"	44.97116
"175297"	215.140618	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+2Na"	45.978436
"615589"	311.216318	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+2Na"	45.978436
"1117276"	119.064918	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2Na"	45.978436
"1400075"	79.7123706666667	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H+2Na"	46.985712
"1442036"	239.164146	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H+HCOOH"	47.012746
"221894"	220.17364	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+3H2O+2H"	56.04448
"1515424"	253.21619	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+IsoProp+H"	61.06479
"410738"	223.127588	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+Na+K"	61.952376
"776109"	319.203288	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+Na+K"	61.952376
"1671344"	127.051888	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Na+K"	61.952376
"252398"	448.318568	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+ACN+Na"	64.015768
"1228385"	256.167168	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+ACN+Na"	64.015768
"1713988"	256.190693	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+NH4+HCOOH"	64.039293
"1181531"	87.0396846666667	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+3Na"	68.967654
"1653613"	261.146088	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Na+HCOOH"	68.994688
"157922"	461.22184	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+2K-H"	76.91904
"600030"	653.37324	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+2K-H"	76.91904
"1086731"	269.07044	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2K-H"	76.91904
"141724"	231.114558	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"2M+2K"	77.926316
"583112"	327.190258	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"3M+2K"	77.926316
"1071638"	135.038858	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2K"	77.926316
"1106306"	271.084992	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2K+H"	78.933592
"1347071"	271.172607	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+DMSO+H"	79.021207
"1015600"	275.211776	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2ACN+H"	83.060376
"1528258"	276.205408	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+IsoProp+Na+H"	84.054008
"999075"	138.109526	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+2ACN+2H"	84.067652
"1593585"	277.120028	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+K+HCOOH"	84.968628
"1426902"	307.151538	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+H+CF3COOH"	115.000138
"1157190"	158.622801	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+3ACN+2H"	125.094202
"1709657"	324.178085	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+NH4+CF3COOH"	132.026685
"1645673"	329.13348	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+Na+CF3COOH"	136.98208
"1585696"	345.10742	"C14698"	"4-n-Heptylphenol;p-Heptylphenol;p-Hydroxyheptylbenzene"	"C13H20O"	"192.1514"	"M+K+CF3COOH"	152.95602
"806219"	351.855	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M"	0
"985220"	332.83661	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-H2O-H"	-19.01839
"69091"	233.562724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M-3H"	-3.021828
"504278"	350.847724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M-3H"	-3.021828
"886452"	116.277724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-3H"	-3.021828
"6118"	350.847724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M-2H"	-2.014552
"448958"	526.775224	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M-2H"	-2.014552
"825668"	174.920224	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-2H"	-2.014552
"83838"	702.702724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M-H"	-1.007276
"523041"	1054.557724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M-H"	-1.007276
"900847"	350.847724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-H"	-1.007276
"49754"	719.729271	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M-2H+NH4"	16.019271
"487734"	1071.584271	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M-2H+NH4"	16.019271
"866020"	367.874271	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-2H+NH4"	16.019271
"33073"	724.684666	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M-2H+Na"	20.974666
"473358"	1076.539666	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M-2H+Na"	20.974666
"853473"	372.829666	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-2H+Na"	20.974666
"1620818"	372.829666	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Na-2H"	20.974666
"99535"	368.836063	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M-H+Cl"	33.962126
"536909"	544.763563	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M-H+Cl"	33.962126
"930423"	192.908563	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-H+Cl"	33.962126
"273353"	738.679402	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+Cl"	34.969402
"662126"	1090.534402	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+Cl"	34.969402
"1287309"	386.824402	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Cl"	34.969402
"28399"	740.658606	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M-2H+K"	36.948606
"467956"	1092.513606	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M-2H+K"	36.948606
"847220"	388.803606	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-2H+K"	36.948606
"1570103"	388.803606	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+K-2H"	36.948606
"958192"	396.853194	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-H+HCOOH"	44.998194
"376203"	748.708201	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+HCOOH-H"	44.998201
"361100"	762.723851	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+Hac-H"	59.013851
"1507217"	410.868851	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Hac-H"	59.013851
"972206"	418.835151	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-H+NaCOOH"	66.980151
"122694"	386.824402	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+2Cl"	69.938804
"562253"	562.751902	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+2Cl"	69.938804
"1034693"	210.896902	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2Cl"	69.938804
"1252449"	430.773885	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Br"	78.918885
"1317813"	432.829872	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Cl+HCOOH"	80.974872
"1335515"	454.811829	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Cl+NaCOOH"	102.956829
"925637"	464.840586	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M-H+CF3COOH"	112.985586
"1294693"	500.817264	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Cl+CF3COOH"	148.962264
"1378325"	316.842324	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H-2H2O"	-35.012676
"1391448"	334.8523	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H-H2O"	-17.0027
"293322"	704.717276	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+H"	1.007276
"686476"	1056.572276	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+H"	1.007276
"1363552"	352.862276	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H"	1.007276
"138628"	352.862276	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+2H"	2.014552
"577095"	528.789776	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+2H"	2.014552
"1045529"	176.934776	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2H"	2.014552
"215252"	235.577276	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+3H"	3.021828
"649707"	352.862276	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+3H"	3.021828
"1173302"	118.292276	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+3H"	3.021828
"431112"	721.743823	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+NH4"	18.033823
"794295"	1073.598823	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+NH4"	18.033823
"1690627"	369.888823	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+NH4"	18.033823
"336717"	361.3755495	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+H+NH4"	19.041099
"727315"	537.3030495	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+H+NH4"	19.041099
"1480408"	185.4480495	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H+NH4"	19.041099
"400546"	726.699218	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+Na"	22.989218
"760448"	1078.554218	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+Na"	22.989218
"1608545"	374.844218	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Na"	22.989218
"322958"	363.853247	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+H+Na"	23.996494
"714284"	539.780747	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+H+Na"	23.996494
"1467014"	187.925747	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H+Na"	23.996494
"1061355"	125.61959	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2H+Na"	25.00377
"1268501"	384.888486	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+CH3OH+H"	33.033486
"384888"	742.673158	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+K"	38.963158
"749163"	1094.528158	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+K"	38.963158
"1552314"	390.818158	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+K"	38.963158
"305114"	371.840217	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+H+K"	39.970434
"701911"	547.767717	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+H+K"	39.970434
"1451357"	195.912717	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H+K"	39.970434
"238134"	745.743826	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+ACN+H"	42.033826
"1214855"	393.888826	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+ACN+H"	42.033826
"1198009"	197.448051	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+ACN+2H"	43.041102
"190150"	748.68116	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+2Na-H"	44.97116
"633720"	1100.53616	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+2Na-H"	44.97116
"1135399"	396.82616	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2Na-H"	44.97116
"176866"	374.844218	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+2Na"	45.978436
"616427"	550.771718	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+2Na"	45.978436
"1118847"	198.916718	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2Na"	45.978436
"1400183"	132.946904	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H+2Na"	46.985712
"1442146"	398.867746	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H+HCOOH"	47.012746
"221029"	379.87724	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+3H2O+2H"	56.04448
"1515534"	412.91979	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+IsoProp+H"	61.06479
"410848"	382.831188	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+Na+K"	61.952376
"775125"	558.758688	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+Na+K"	61.952376
"1671454"	206.903688	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Na+K"	61.952376
"252747"	767.725768	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+ACN+Na"	64.015768
"1229588"	415.870768	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+ACN+Na"	64.015768
"1716285"	415.894293	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+NH4+HCOOH"	64.039293
"1183828"	140.274218	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+3Na"	68.967654
"1657003"	420.849688	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Na+HCOOH"	68.994688
"159125"	780.62904	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+2K-H"	76.91904
"600505"	1132.48404	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+2K-H"	76.91904
"1089026"	428.77404	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2K-H"	76.91904
"143050"	390.818158	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"2M+2K"	77.926316
"585410"	566.745658	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"3M+2K"	77.926316
"1072113"	214.890658	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2K"	77.926316
"1108603"	430.788592	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2K+H"	78.933592
"1348274"	430.876207	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+DMSO+H"	79.021207
"1013522"	434.915376	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2ACN+H"	83.060376
"1530553"	435.909008	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+IsoProp+Na+H"	84.054008
"997000"	217.961326	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+2ACN+2H"	84.067652
"1593688"	436.823628	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+K+HCOOH"	84.968628
"1421537"	466.855138	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+H+CF3COOH"	115.000138
"1159121"	238.474601	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+3ACN+2H"	125.094202
"1709037"	483.881685	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+NH4+CF3COOH"	132.026685
"1645783"	488.83708	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+Na+CF3COOH"	136.98208
"1585806"	504.81102	"C14699"	"1-Hydroxychlordene;Chlordene hydroxide"	"C10H6Cl6O"	"351.855"	"M+K+CF3COOH"	152.95602
"806329"	162.0059	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M"	0
"985330"	142.98751	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-H2O-H"	-19.01839
"72483"	106.996657333333	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M-3H"	-3.021828
"508762"	160.998624	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M-3H"	-3.021828
"892031"	52.9946906666667	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-3H"	-3.021828
"13886"	160.998624	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M-2H"	-2.014552
"455353"	242.001574	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M-2H"	-2.014552
"829060"	79.995674	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-2H"	-2.014552
"79942"	323.004524	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M-H"	-1.007276
"526433"	485.010424	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M-H"	-1.007276
"904238"	160.998624	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-H"	-1.007276
"56425"	340.031071	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M-2H+NH4"	16.019271
"498175"	502.036971	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M-2H+NH4"	16.019271
"871601"	178.025171	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-2H+NH4"	16.019271
"37314"	344.986466	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M-2H+Na"	20.974666
"477966"	506.992366	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M-2H+Na"	20.974666
"854675"	182.980566	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-2H+Na"	20.974666
"1628584"	182.980566	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Na-2H"	20.974666
"102926"	178.986963	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M-H+Cl"	33.962126
"543580"	259.989913	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M-H+Cl"	33.962126
"933814"	97.984013	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-H+Cl"	33.962126
"274556"	358.981202	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+Cl"	34.969402
"661144"	520.987102	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+Cl"	34.969402
"1288388"	196.975302	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Cl"	34.969402
"29604"	360.960406	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M-2H+K"	36.948606
"471163"	522.966306	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M-2H+K"	36.948606
"848265"	198.954506	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-2H+K"	36.948606
"1571179"	198.954506	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+K-2H"	36.948606
"958331"	207.004094	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-H+HCOOH"	44.998194
"376557"	369.010001	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+HCOOH-H"	44.998201
"361239"	383.025651	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+Hac-H"	59.013851
"1505989"	221.019751	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Hac-H"	59.013851
"971708"	228.986051	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-H+NaCOOH"	66.980151
"123897"	196.975302	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+2Cl"	69.938804
"563821"	277.978252	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+2Cl"	69.938804
"1032980"	115.972352	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2Cl"	69.938804
"1255111"	240.924785	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Br"	78.918885
"1316100"	242.980772	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Cl+HCOOH"	80.974872
"1335509"	264.962729	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Cl+NaCOOH"	102.956829
"926478"	274.991486	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M-H+CF3COOH"	112.985586
"1293709"	310.968164	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Cl+CF3COOH"	148.962264
"1377342"	126.993224	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H-2H2O"	-35.012676
"1392287"	145.0032	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H-H2O"	-17.0027
"288328"	325.019076	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+H"	1.007276
"687314"	487.024976	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+H"	1.007276
"1361111"	163.013176	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H"	1.007276
"138374"	163.013176	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+2H"	2.014552
"575747"	244.016126	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+2H"	2.014552
"1045639"	82.010226	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2H"	2.014552
"215726"	109.011209333333	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+3H"	3.021828
"648724"	163.013176	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+3H"	3.021828
"1174142"	55.0092426666667	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+3H"	3.021828
"436327"	342.045623	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+NH4"	18.033823
"793312"	504.051523	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+NH4"	18.033823
"1690736"	180.039723	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+NH4"	18.033823
"334641"	171.5264495	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+H+NH4"	19.041099
"727060"	252.5293995	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+H+NH4"	19.041099
"1483070"	90.5234995	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H+NH4"	19.041099
"398469"	347.001018	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+Na"	22.989218
"761651"	509.006918	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+Na"	22.989218
"1607562"	184.995118	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Na"	22.989218
"323068"	174.004147	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+H+Na"	23.996494
"711115"	255.007097	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+H+Na"	23.996494
"1467124"	93.001197	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H+Na"	23.996494
"1061465"	62.3365566666667	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2H+Na"	25.00377
"1269704"	195.039386	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+CH3OH+H"	33.033486
"382811"	362.974958	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+K"	38.963158
"744899"	524.980858	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+K"	38.963158
"1551330"	200.969058	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+K"	38.963158
"305225"	181.991117	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+H+K"	39.970434
"699834"	262.994067	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+H+K"	39.970434
"1448188"	100.988167	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H+K"	39.970434
"237882"	366.045626	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+ACN+H"	42.033826
"1211681"	204.039726	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+ACN+H"	42.033826
"1201036"	102.523501	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+ACN+2H"	43.041102
"193907"	368.98296	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+2Na-H"	44.97116
"629820"	530.98886	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+2Na-H"	44.97116
"1132961"	206.97706	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2Na-H"	44.97116
"175157"	184.995118	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+2Na"	45.978436
"615446"	265.998068	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+2Na"	45.978436
"1117255"	103.992168	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2Na"	45.978436
"1399928"	69.6638706666667	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H+2Na"	46.985712
"1442256"	209.018646	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H+HCOOH"	47.012746
"223207"	190.02814	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+3H2O+2H"	56.04448
"1515644"	223.07069	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+IsoProp+H"	61.06479
"412051"	192.982088	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+Na+K"	61.952376
"779607"	273.985038	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+Na+K"	61.952376
"1672657"	111.979138	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Na+K"	61.952376
"260272"	388.027568	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+ACN+Na"	64.015768
"1234070"	226.021668	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+ACN+Na"	64.015768
"1719677"	226.045193	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+NH4+HCOOH"	64.039293
"1185032"	76.9911846666667	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+3Na"	68.967654
"1657113"	231.000588	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Na+HCOOH"	68.994688
"160694"	400.93084	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+2K-H"	76.91904
"602438"	562.93674	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+2K-H"	76.91904
"1089137"	238.92494	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2K-H"	76.91904
"144133"	200.969058	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"2M+2K"	77.926316
"587706"	281.972008	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"3M+2K"	77.926316
"1074410"	119.966108	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2K"	77.926316
"1111993"	240.939492	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2K+H"	78.933592
"1348384"	241.027107	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+DMSO+H"	79.021207
"1013633"	245.066276	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2ACN+H"	83.060376
"1532849"	246.059908	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+IsoProp+Na+H"	84.054008
"1001482"	123.036776	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+2ACN+2H"	84.067652
"1595985"	246.974528	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+K+HCOOH"	84.968628
"1418366"	277.006038	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+H+CF3COOH"	115.000138
"1156316"	143.550051	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+3ACN+2H"	125.094202
"1708054"	294.032585	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+NH4+CF3COOH"	132.026685
"1643705"	298.98798	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+Na+CF3COOH"	136.98208
"1585916"	314.96192	"C14700"	"2-Chloro-112-trifluoroethyl ethyl ether;Ethoxyflurane"	"C4H6ClF3O"	"162.0059"	"M+K+CF3COOH"	152.95602
"815067"	186.1157	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M"	0
"983253"	167.09731	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-H2O-H"	-19.01839
"73686"	123.069857333333	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M-3H"	-3.021828
"504862"	185.108424	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M-3H"	-3.021828
"891776"	61.0312906666667	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-3H"	-3.021828
"10713"	185.108424	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M-2H"	-2.014552
"452462"	278.166274	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M-2H"	-2.014552
"826983"	92.050574	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-2H"	-2.014552
"79689"	371.224124	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M-H"	-1.007276
"529823"	557.339824	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M-H"	-1.007276
"907628"	185.108424	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-H"	-1.007276
"56535"	388.250671	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M-2H+NH4"	16.019271
"497192"	574.366371	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M-2H+NH4"	16.019271
"871711"	202.134971	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-2H+NH4"	16.019271
"39611"	393.206066	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M-2H+Na"	20.974666
"476983"	579.321766	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M-2H+Na"	20.974666
"854785"	207.090366	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-2H+Na"	20.974666
"1624319"	207.090366	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Na-2H"	20.974666
"103036"	203.096763	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M-H+Cl"	33.962126
"541504"	296.154613	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M-H+Cl"	33.962126
"929549"	110.038913	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-H+Cl"	33.962126
"268590"	407.200802	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+Cl"	34.969402
"660890"	593.316502	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+Cl"	34.969402
"1283872"	221.085102	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Cl"	34.969402
"29713"	409.180006	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M-2H+K"	36.948606
"471390"	595.295706	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M-2H+K"	36.948606
"848135"	223.064306	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-2H+K"	36.948606
"1571100"	223.064306	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+K-2H"	36.948606
"957807"	231.113894	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-H+HCOOH"	44.998194
"376468"	417.229601	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+HCOOH-H"	44.998201
"360184"	431.245251	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+Hac-H"	59.013851
"1506098"	245.129551	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Hac-H"	59.013851
"972911"	253.095851	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-H+NaCOOH"	66.980151
"124371"	221.085102	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+2Cl"	69.938804
"564902"	314.142952	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+2Cl"	69.938804
"1031997"	128.027252	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2Cl"	69.938804
"1252669"	265.034585	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Br"	78.918885
"1314023"	267.090572	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Cl+HCOOH"	80.974872
"1335525"	289.072529	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Cl+NaCOOH"	102.956829
"926347"	299.101286	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M-H+CF3COOH"	112.985586
"1293819"	335.077964	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Cl+CF3COOH"	148.962264
"1378545"	151.103024	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H-2H2O"	-35.012676
"1392761"	169.113	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H-H2O"	-17.0027
"288074"	373.238676	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+H"	1.007276
"683780"	559.354376	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+H"	1.007276
"1360856"	187.122976	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H"	1.007276
"135569"	187.122976	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+2H"	2.014552
"574764"	280.180826	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+2H"	2.014552
"1044656"	94.065126	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2H"	2.014552
"213650"	125.084409333333	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+3H"	3.021828
"647742"	187.122976	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+3H"	3.021828
"1173888"	63.0458426666667	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+3H"	3.021828
"434614"	390.265223	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+NH4"	18.033823
"794515"	576.380923	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+NH4"	18.033823
"1690846"	204.149523	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+NH4"	18.033823
"339125"	195.6362495	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+H+NH4"	19.041099
"734826"	288.6940995	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+H+NH4"	19.041099
"1486461"	102.5783995	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H+NH4"	19.041099
"401860"	395.220618	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+Na"	22.989218
"763948"	581.336318	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+Na"	22.989218
"1609858"	209.104918	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Na"	22.989218
"320992"	198.113947	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+H+Na"	23.996494
"712318"	291.171797	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+H+Na"	23.996494
"1467234"	105.056097	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H+Na"	23.996494
"1061575"	70.3731566666667	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2H+Na"	25.00377
"1269814"	219.149186	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+CH3OH+H"	33.033486
"384014"	411.194558	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+K"	38.963158
"746104"	597.310258	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+K"	38.963158
"1551440"	225.078858	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+K"	38.963158
"305333"	206.100917	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+H+K"	39.970434
"698851"	299.158767	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+H+K"	39.970434
"1449391"	113.043067	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H+K"	39.970434
"236896"	414.265226	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+ACN+H"	42.033826
"1212887"	228.149526	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+ACN+H"	42.033826
"1197863"	114.578401	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+ACN+2H"	43.041102
"189273"	417.20256	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+2Na-H"	44.97116
"630292"	603.31826	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+2Na-H"	44.97116
"1132706"	231.08686	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2Na-H"	44.97116
"174174"	209.104918	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+2Na"	45.978436
"613733"	302.162768	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+2Na"	45.978436
"1116882"	116.047068	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2Na"	45.978436
"1398577"	77.7004706666667	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H+2Na"	46.985712
"1444918"	233.128446	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H+HCOOH"	47.012746
"226597"	214.13794	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+3H2O+2H"	56.04448
"1516848"	247.18049	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+IsoProp+H"	61.06479
"414348"	217.091888	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+Na+K"	61.952376
"779717"	310.149738	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+Na+K"	61.952376
"1673860"	124.034038	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Na+K"	61.952376
"260382"	436.247168	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+ACN+Na"	64.015768
"1235274"	250.131468	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+ACN+Na"	64.015768
"1720150"	250.154993	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+NH4+HCOOH"	64.039293
"1186235"	85.0277846666667	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+3Na"	68.967654
"1655035"	255.110388	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Na+HCOOH"	68.994688
"160804"	449.15044	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+2K-H"	76.91904
"602548"	635.26614	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+2K-H"	76.91904
"1090340"	263.03474	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2K-H"	76.91904
"145699"	225.078858	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"2M+2K"	77.926316
"583807"	318.136708	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"3M+2K"	77.926316
"1077800"	132.021008	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2K"	77.926316
"1112103"	265.049292	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2K+H"	78.933592
"1347401"	265.136907	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+DMSO+H"	79.021207
"1013743"	269.176076	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2ACN+H"	83.060376
"1532960"	270.169708	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+IsoProp+Na+H"	84.054008
"995033"	135.091676	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+2ACN+2H"	84.067652
"1592815"	271.084328	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+K+HCOOH"	84.968628
"1416410"	301.115838	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+H+CF3COOH"	115.000138
"1157519"	155.604951	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+3ACN+2H"	125.094202
"1705977"	318.142385	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+NH4+CF3COOH"	132.026685
"1642722"	323.09778	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+Na+CF3COOH"	136.98208
"1586026"	339.07172	"C14701"	"Paraquat;11-Dimethyl-44-bipyridinium"	"C12H14N2"	"186.1157"	"M+K+CF3COOH"	152.95602
"812017"	168.0171	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M"	0
"983363"	148.99871	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-H2O-H"	-19.01839
"65413"	111.004124	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M-3H"	-3.021828
"504972"	167.009824	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M-3H"	-3.021828
"888970"	54.998424	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-3H"	-3.021828
"10824"	167.009824	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M-2H"	-2.014552
"452573"	251.018374	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M-2H"	-2.014552
"827093"	83.001274	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-2H"	-2.014552
"79435"	335.026924	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M-H"	-1.007276
"529933"	503.044024	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M-H"	-1.007276
"906645"	167.009824	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-H"	-1.007276
"56645"	352.053471	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M-2H+NH4"	16.019271
"496207"	520.070571	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M-2H+NH4"	16.019271
"875101"	184.036371	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-2H+NH4"	16.019271
"39721"	357.008866	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M-2H+Na"	20.974666
"474176"	525.025966	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M-2H+Na"	20.974666
"852708"	188.991766	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-2H+Na"	20.974666
"1621148"	188.991766	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Na-2H"	20.974666
"103146"	184.998163	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M-H+Cl"	33.962126
"543800"	269.006713	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M-H+Cl"	33.962126
"929659"	100.989613	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-H+Cl"	33.962126
"268336"	371.003602	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+Cl"	34.969402
"660755"	539.020702	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+Cl"	34.969402
"1282889"	202.986502	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Cl"	34.969402
"29459"	372.982806	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M-2H+K"	36.948606
"471180"	540.999906	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M-2H+K"	36.948606
"847552"	204.965706	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-2H+K"	36.948606
"1570680"	204.965706	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+K-2H"	36.948606
"956371"	213.015294	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-H+HCOOH"	44.998194
"375316"	381.032401	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+HCOOH-H"	44.998201
"361286"	395.048051	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+Hac-H"	59.013851
"1505113"	227.030951	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Hac-H"	59.013851
"973144"	234.997251	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-H+NaCOOH"	66.980151
"124724"	202.986502	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+2Cl"	69.938804
"564038"	286.995052	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+2Cl"	69.938804
"1032108"	118.977952	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2Cl"	69.938804
"1250592"	246.935985	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Br"	78.918885
"1311946"	248.991972	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Cl+HCOOH"	80.974872
"1334547"	270.973929	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Cl+NaCOOH"	102.956829
"926336"	281.002686	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M-H+CF3COOH"	112.985586
"1292106"	316.979364	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Cl+CF3COOH"	148.962264
"1375375"	133.004424	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H-2H2O"	-35.012676
"1392871"	151.0144	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H-H2O"	-17.0027
"285267"	337.041476	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+H"	1.007276
"683889"	505.058576	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+H"	1.007276
"1358049"	169.024376	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H"	1.007276
"133125"	169.024376	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+2H"	2.014552
"574873"	253.032926	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+2H"	2.014552
"1041485"	85.015826	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2H"	2.014552
"205739"	113.018676	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+3H"	3.021828
"647850"	169.024376	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+3H"	3.021828
"1167070"	57.012976	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+3H"	3.021828
"436911"	354.068023	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+NH4"	18.033823
"794625"	522.085123	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+NH4"	18.033823
"1693144"	186.050923	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+NH4"	18.033823
"341423"	177.5376495	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+H+NH4"	19.041099
"731656"	261.5461995	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+H+NH4"	19.041099
"1488758"	93.5290995	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H+NH4"	19.041099
"404157"	359.023418	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+Na"	22.989218
"764058"	527.040518	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+Na"	22.989218
"1609968"	191.006318	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Na"	22.989218
"323288"	180.015347	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+H+Na"	23.996494
"712428"	264.023897	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+H+Na"	23.996494
"1466251"	96.006797	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H+Na"	23.996494
"1061685"	64.34029	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2H+Na"	25.00377
"1269924"	201.050586	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+CH3OH+H"	33.033486
"383031"	374.997358	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+K"	38.963158
"746213"	543.014458	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+K"	38.963158
"1547176"	206.980258	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+K"	38.963158
"304350"	188.002317	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+H+K"	39.970434
"698961"	272.010867	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+H+K"	39.970434
"1449501"	103.993767	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H+K"	39.970434
"237734"	378.068026	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+ACN+H"	42.033826
"1211536"	210.050926	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+ACN+H"	42.033826
"1196513"	105.529101	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+ACN+2H"	43.041102
"191206"	381.00536	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+2Na-H"	44.97116
"628941"	549.02246	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+2Na-H"	44.97116
"1131844"	212.98826	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2Na-H"	44.97116
"175378"	191.006318	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+2Na"	45.978436
"613600"	275.014868	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+2Na"	45.978436
"1116988"	106.997768	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2Na"	45.978436
"1399172"	71.667604	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H+2Na"	46.985712
"1442113"	215.029846	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H+HCOOH"	47.012746
"226706"	196.03934	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+3H2O+2H"	56.04448
"1515864"	229.08189	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+IsoProp+H"	61.06479
"411540"	198.993288	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+Na+K"	61.952376
"773994"	283.001838	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+Na+K"	61.952376
"1671053"	114.984738	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Na+K"	61.952376
"259399"	400.049968	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+ACN+Na"	64.015768
"1233198"	232.032868	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+ACN+Na"	64.015768
"1719166"	232.056393	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+NH4+HCOOH"	64.039293
"1182699"	78.994918	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+3Na"	68.967654
"1654415"	237.011788	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Na+HCOOH"	68.994688
"159456"	412.95324	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+2K-H"	76.91904
"601200"	580.97034	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+2K-H"	76.91904
"1088627"	244.93614	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2K-H"	76.91904
"143987"	206.980258	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"2M+2K"	77.926316
"583917"	290.988808	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"3M+2K"	77.926316
"1079003"	122.971708	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2K"	77.926316
"1112213"	246.950692	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2K+H"	78.933592
"1347511"	247.038307	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+DMSO+H"	79.021207
"1017133"	251.077476	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2ACN+H"	83.060376
"1530883"	252.071108	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+IsoProp+Na+H"	84.054008
"995143"	126.042376	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+2ACN+2H"	84.067652
"1589645"	252.985728	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+K+HCOOH"	84.968628
"1419679"	283.017238	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+H+CF3COOH"	115.000138
"1154347"	146.555651	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+3ACN+2H"	125.094202
"1703899"	300.043785	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+NH4+CF3COOH"	132.026685
"1643925"	304.99918	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+Na+CF3COOH"	136.98208
"1586136"	320.97312	"C14702"	"12-Dinitrobenzene;o-Dinitrobenzene"	"C6H4N2O4"	"168.0171"	"M+K+CF3COOH"	152.95602
"813950"	156.0939	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M"	0
"985663"	137.07551	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H2O-H"	-19.01839
"68440"	103.055324	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-3H"	-3.021828
"509094"	155.086624	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-3H"	-3.021828
"885800"	51.024024	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-3H"	-3.021828
"5468"	155.086624	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H"	-2.014552
"441749"	233.133574	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H"	-2.014552
"823923"	77.039674	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H"	-2.014552
"82825"	311.180524	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H"	-1.007276
"519226"	467.274424	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H"	-1.007276
"904569"	155.086624	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H"	-1.007276
"54568"	328.207071	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+NH4"	16.019271
"497410"	484.300971	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+NH4"	16.019271
"871931"	172.113171	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+NH4"	16.019271
"36551"	333.162466	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+Na"	20.974666
"471736"	489.256366	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+Na"	20.974666
"851725"	177.068566	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+Na"	20.974666
"1622351"	177.068566	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na-2H"	20.974666
"101070"	173.074963	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-H+Cl"	33.962126
"541724"	251.121913	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-H+Cl"	33.962126
"927824"	95.028013	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+Cl"	33.962126
"268325"	347.157202	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Cl"	34.969402
"660747"	503.251102	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Cl"	34.969402
"1282635"	191.063302	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl"	34.969402
"28841"	349.136406	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M-2H+K"	36.948606
"468764"	505.230306	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M-2H+K"	36.948606
"847298"	193.042506	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-2H+K"	36.948606
"1571138"	193.042506	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K-2H"	36.948606
"957210"	201.092094	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+HCOOH"	44.998194
"375791"	357.186001	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+HCOOH-H"	44.998201
"360291"	371.201651	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Hac-H"	59.013851
"1504857"	215.107751	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Hac-H"	59.013851
"973131"	223.074051	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+NaCOOH"	66.980151
"123862"	191.063302	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Cl"	69.938804
"562692"	269.110252	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Cl"	69.938804
"1032949"	113.016352	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Cl"	69.938804
"1253256"	235.012785	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Br"	78.918885
"1313149"	237.068772	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+HCOOH"	80.974872
"1332105"	259.050729	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+NaCOOH"	102.956829
"925961"	269.079486	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M-H+CF3COOH"	112.985586
"1293308"	305.056164	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Cl+CF3COOH"	148.962264
"1375485"	121.081224	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-2H2O"	-35.012676
"1386417"	139.0912	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H-H2O"	-17.0027
"287196"	313.195076	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H"	1.007276
"684727"	469.288976	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H"	1.007276
"1358159"	157.101176	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H"	1.007276
"133235"	157.101176	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2H"	2.014552
"569514"	235.148126	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2H"	2.014552
"1039407"	79.054226	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H"	2.014552
"205484"	105.069876	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H"	3.021828
"646867"	157.101176	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+3H"	3.021828
"1164629"	53.038576	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3H"	3.021828
"437021"	330.221623	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+NH4"	18.033823
"794735"	486.315523	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+NH4"	18.033823
"1694349"	174.127723	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4"	18.033823
"342626"	165.6144495	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+NH4"	19.041099
"732859"	243.6613995	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+NH4"	19.041099
"1488868"	87.5674995	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+NH4"	19.041099
"405360"	335.177018	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na"	22.989218
"763074"	491.270918	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na"	22.989218
"1611172"	179.083118	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na"	22.989218
"323398"	168.092147	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+Na"	23.996494
"714726"	246.139097	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+Na"	23.996494
"1464538"	90.045197	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+Na"	23.996494
"1061795"	60.36589	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2H+Na"	25.00377
"1270034"	189.127386	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+CH3OH+H"	33.033486
"383141"	351.150958	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+K"	38.963158
"745228"	507.244858	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+K"	38.963158
"1545460"	195.057058	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K"	38.963158
"304460"	176.079117	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+H+K"	39.970434
"699071"	254.126067	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+H+K"	39.970434
"1453985"	98.032167	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+K"	39.970434
"239306"	354.221626	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+H"	42.033826
"1215295"	198.127726	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+H"	42.033826
"1198085"	99.567501	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+2H"	43.041102
"191319"	357.15896	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na-H"	44.97116
"630877"	513.25286	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na-H"	44.97116
"1135843"	201.06506	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na-H"	44.97116
"173418"	179.083118	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2Na"	45.978436
"615777"	257.130068	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2Na"	45.978436
"1117462"	101.036168	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2Na"	45.978436
"1399403"	67.693204	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+2Na"	46.985712
"1430541"	203.106646	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+HCOOH"	47.012746
"227909"	184.11614	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+3H2O+2H"	56.04448
"1518160"	217.15869	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+H"	61.06479
"412744"	187.070088	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+Na+K"	61.952376
"774469"	265.117038	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+Na+K"	61.952376
"1670798"	109.023138	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+K"	61.952376
"260238"	376.203568	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+ACN+Na"	64.015768
"1234401"	220.109668	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+ACN+Na"	64.015768
"1715997"	220.133193	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+HCOOH"	64.039293
"1185363"	75.020518	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3Na"	68.967654
"1655620"	225.088588	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+HCOOH"	68.994688
"159931"	389.10684	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K-H"	76.91904
"601310"	545.20074	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K-H"	76.91904
"1091655"	233.01294	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K-H"	76.91904
"144462"	195.057058	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"2M+2K"	77.926316
"583663"	273.104008	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"3M+2K"	77.926316
"1072913"	117.010108	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K"	77.926316
"1104668"	235.027492	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2K+H"	78.933592
"1347619"	235.115107	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+DMSO+H"	79.021207
"1016150"	239.154276	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+H"	83.060376
"1534274"	240.147908	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+IsoProp+Na+H"	84.054008
"996347"	120.080776	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+2ACN+2H"	84.067652
"1594129"	241.062528	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+HCOOH"	84.968628
"1416509"	271.094038	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+H+CF3COOH"	115.000138
"1153364"	140.594051	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+3ACN+2H"	125.094202
"1704009"	288.120585	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+NH4+CF3COOH"	132.026685
"1641847"	293.07598	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+Na+CF3COOH"	136.98208
"1586246"	309.04992	"C14703"	"18-Dimethylnaphthalene"	"C12H12"	"156.0939"	"M+K+CF3COOH"	152.95602
"813330"	74.048	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M"	0
"985770"	55.02961	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-H2O-H"	-19.01839
"68550"	48.3580573333333	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M-3H"	-3.021828
"507017"	73.040724	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M-3H"	-3.021828
"887004"	23.6753906666667	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-3H"	-3.021828
"5578"	73.040724	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M-2H"	-2.014552
"441859"	110.064724	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M-2H"	-2.014552
"824033"	36.016724	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-2H"	-2.014552
"86213"	147.088724	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M-H"	-1.007276
"524681"	221.136724	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M-H"	-1.007276
"902487"	73.040724	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-H"	-1.007276
"52492"	164.115271	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M-2H+NH4"	16.019271
"497520"	238.163271	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M-2H+NH4"	16.019271
"873134"	90.067271	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-2H+NH4"	16.019271
"34474"	169.070666	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M-2H+Na"	20.974666
"472446"	243.118666	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M-2H+Na"	20.974666
"849769"	95.022666	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-2H+Na"	20.974666
"1621368"	95.022666	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Na-2H"	20.974666
"96804"	91.029063	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M-H+Cl"	33.962126
"541834"	128.053063	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M-H+Cl"	33.962126
"927934"	54.005063	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-H+Cl"	33.962126
"268064"	183.065402	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+Cl"	34.969402
"660487"	257.113402	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+Cl"	34.969402
"1284567"	109.017402	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Cl"	34.969402
"29315"	185.044606	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M-2H+K"	36.948606
"469603"	259.092606	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M-2H+K"	36.948606
"847614"	110.996606	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-2H+K"	36.948606
"1569808"	110.996606	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+K-2H"	36.948606
"955496"	119.046194	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-H+HCOOH"	44.998194
"375901"	193.094201	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+HCOOH-H"	44.998201
"360277"	207.109851	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+Hac-H"	59.013851
"1504967"	133.061851	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Hac-H"	59.013851
"971420"	141.028151	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-H+NaCOOH"	66.980151
"124337"	109.017402	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+2Cl"	69.938804
"563166"	146.041402	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+2Cl"	69.938804
"1033788"	71.993402	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2Cl"	69.938804
"1253366"	152.966885	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Br"	78.918885
"1313259"	155.022872	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Cl+HCOOH"	80.974872
"1331487"	177.004829	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Cl+NaCOOH"	102.956829
"924367"	187.033586	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M-H+CF3COOH"	112.985586
"1294148"	223.010264	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Cl+CF3COOH"	148.962264
"1374501"	39.035324	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H-2H2O"	-35.012676
"1386527"	57.0453	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H-H2O"	-17.0027
"287307"	149.103276	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+H"	1.007276
"682650"	223.151276	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+H"	1.007276
"1356811"	75.055276	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H"	1.007276
"132252"	75.055276	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+2H"	2.014552
"569624"	112.079276	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+2H"	2.014552
"1038788"	38.031276	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2H"	2.014552
"205593"	50.3726093333333	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+3H"	3.021828
"646977"	75.055276	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+3H"	3.021828
"1164011"	25.6899426666667	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+3H"	3.021828
"435673"	166.129823	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+NH4"	18.033823
"791565"	240.177823	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+NH4"	18.033823
"1695916"	92.081823	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+NH4"	18.033823
"345287"	83.5685495	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+H+NH4"	19.041099
"730782"	120.5925495	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+H+NH4"	19.041099
"1478159"	46.5445495	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H+NH4"	19.041099
"406564"	171.085218	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+Na"	22.989218
"760997"	245.133218	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+Na"	22.989218
"1606907"	97.037218	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Na"	22.989218
"320225"	86.046247	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+H+Na"	23.996494
"713742"	123.070247	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+H+Na"	23.996494
"1468656"	49.022247	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H+Na"	23.996494
"1056433"	33.0172566666667	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2H+Na"	25.00377
"1263580"	107.081486	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+CH3OH+H"	33.033486
"382155"	187.059158	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+K"	38.963158
"743150"	261.107158	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+K"	38.963158
"1545206"	113.011158	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+K"	38.963158
"304571"	94.033217	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+H+K"	39.970434
"699181"	131.057217	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+H+K"	39.970434
"1450815"	57.009217	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H+K"	39.970434
"238685"	190.129826	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+ACN+H"	42.033826
"1214311"	116.081826	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+ACN+H"	42.033826
"1197099"	58.544551	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+ACN+2H"	43.041102
"191429"	193.06716	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+2Na-H"	44.97116
"630258"	267.11516	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+2Na-H"	44.97116
"1135952"	119.01916	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2Na-H"	44.97116
"174016"	97.037218	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+2Na"	45.978436
"615159"	134.061218	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+2Na"	45.978436
"1116965"	60.013218	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2Na"	45.978436
"1399393"	40.3445706666667	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H+2Na"	46.985712
"1431016"	121.060746	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H+HCOOH"	47.012746
"224010"	102.07024	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+3H2O+2H"	56.04448
"1516084"	135.11279	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+IsoProp+H"	61.06479
"412854"	105.024188	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+Na+K"	61.952376
"773850"	142.048188	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+Na+K"	61.952376
"1667629"	68.000188	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Na+K"	61.952376
"260348"	212.111768	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+ACN+Na"	64.015768
"1232691"	138.063768	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+ACN+Na"	64.015768
"1716472"	138.087293	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+NH4+HCOOH"	64.039293
"1187659"	47.6718846666667	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+3Na"	68.967654
"1655728"	143.042688	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Na+HCOOH"	68.994688
"161862"	225.01504	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+2K-H"	76.91904
"601421"	299.06304	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+2K-H"	76.91904
"1089579"	150.96704	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2K-H"	76.91904
"145666"	113.011158	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"2M+2K"	77.926316
"584863"	150.035158	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"3M+2K"	77.926316
"1073753"	75.987158	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2K"	77.926316
"1104776"	152.981592	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2K+H"	78.933592
"1347729"	153.069207	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+DMSO+H"	79.021207
"1015167"	157.108376	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2ACN+H"	83.060376
"1533292"	158.102008	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+IsoProp+Na+H"	84.054008
"1001926"	79.057826	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+2ACN+2H"	84.067652
"1596427"	159.016628	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+K+HCOOH"	84.968628
"1416620"	189.048138	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+H+CF3COOH"	115.000138
"1153474"	99.571101	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+3ACN+2H"	125.094202
"1704119"	206.074685	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+NH4+CF3COOH"	132.026685
"1641957"	211.03008	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+Na+CF3COOH"	136.98208
"1586356"	227.00402	"C14704"	"N-Nitrosodimethylamine;Dimethylnitrosamine"	"C2H6N2O"	"74.048"	"M+K+CF3COOH"	152.95602
"811254"	165.8911	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M"	0
"985880"	146.87271	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H2O-H"	-19.01839
"70845"	109.586790666667	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-3H"	-3.021828
"506034"	164.883824	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-3H"	-3.021828
"886022"	54.2897573333333	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-3H"	-3.021828
"8968"	164.883824	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H"	-2.014552
"440876"	247.829374	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H"	-2.014552
"824143"	81.938274	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H"	-2.014552
"88510"	330.774924	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-H"	-1.007276
"523698"	496.666024	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-H"	-1.007276
"897854"	164.883824	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H"	-1.007276
"60253"	347.801471	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H+NH4"	16.019271
"487904"	513.692571	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H+NH4"	16.019271
"869964"	181.910371	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H+NH4"	16.019271
"33124"	352.756866	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H+Na"	20.974666
"472111"	518.647966	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H+Na"	20.974666
"850121"	186.865766	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H+Na"	20.974666
"1619287"	186.865766	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na-2H"	20.974666
"96914"	182.872163	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-H+Cl"	33.962126
"541944"	265.817713	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-H+Cl"	33.962126
"928044"	99.926613	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+Cl"	33.962126
"267686"	366.751602	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Cl"	34.969402
"660309"	532.642702	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+Cl"	34.969402
"1285405"	200.860502	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl"	34.969402
"30853"	368.730806	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H+K"	36.948606
"470574"	534.621906	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H+K"	36.948606
"848248"	202.839706	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H+K"	36.948606
"1570641"	202.839706	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K-2H"	36.948606
"956334"	210.889294	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+HCOOH"	44.998194
"375647"	376.780401	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+HCOOH-H"	44.998201
"361116"	390.796051	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Hac-H"	59.013851
"1505077"	224.904951	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Hac-H"	59.013851
"970801"	232.871251	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+NaCOOH"	66.980151
"123718"	200.860502	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2Cl"	69.938804
"563275"	283.806052	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2Cl"	69.938804
"1034626"	117.914952	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2Cl"	69.938804
"1252381"	244.809985	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Br"	78.918885
"1312276"	246.865972	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl+HCOOH"	80.974872
"1332325"	268.847929	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl+NaCOOH"	102.956829
"924110"	278.876686	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+CF3COOH"	112.985586
"1293167"	314.853364	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl+CF3COOH"	148.962264
"1373518"	130.878424	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H-2H2O"	-35.012676
"1387731"	148.8884	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H-H2O"	-17.0027
"287418"	332.789476	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H"	1.007276
"680938"	498.680576	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H"	1.007276
"1357286"	166.898376	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H"	1.007276
"132362"	166.898376	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2H"	2.014552
"569735"	249.843926	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2H"	2.014552
"1038898"	83.952826	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2H"	2.014552
"205338"	111.601342666667	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+3H"	3.021828
"645627"	166.898376	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+3H"	3.021828
"1164121"	56.3043093333333	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+3H"	3.021828
"436147"	349.816023	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+NH4"	18.033823
"794955"	515.707123	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+NH4"	18.033823
"1696715"	183.924923	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+NH4"	18.033823
"343938"	175.4116495	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H+NH4"	19.041099
"730892"	258.3571995	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H+NH4"	19.041099
"1478150"	92.4660995	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+NH4"	19.041099
"405580"	354.771418	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Na"	22.989218
"761107"	520.662518	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+Na"	22.989218
"1609204"	188.880318	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na"	22.989218
"320335"	177.889347	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H+Na"	23.996494
"716038"	260.834897	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H+Na"	23.996494
"1466579"	94.943797	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+Na"	23.996494
"1056178"	63.6316233333333	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2H+Na"	25.00377
"1263690"	198.924586	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+CH3OH+H"	33.033486
"382264"	370.745358	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+K"	38.963158
"743259"	536.636458	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+K"	38.963158
"1542764"	204.854258	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K"	38.963158
"299572"	185.876317	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H+K"	39.970434
"697103"	268.821867	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H+K"	39.970434
"1450925"	102.930767	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+K"	39.970434
"237339"	373.816026	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+ACN+H"	42.033826
"1214421"	207.924926	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+ACN+H"	42.033826
"1195507"	104.466101	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+ACN+2H"	43.041102
"190811"	376.75336	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2Na-H"	44.97116
"630610"	542.64446	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2Na-H"	44.97116
"1132657"	210.86226	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2Na-H"	44.97116
"173154"	188.880318	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2Na"	45.978436
"613202"	271.825868	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2Na"	45.978436
"1115859"	105.934768	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2Na"	45.978436
"1398565"	70.9589373333333	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+2Na"	46.985712
"1430235"	212.903846	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+HCOOH"	47.012746
"224120"	193.91334	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+3H2O+2H"	56.04448
"1515101"	226.95589	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+IsoProp+H"	61.06479
"411871"	196.867288	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Na+K"	61.952376
"772501"	279.812838	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+Na+K"	61.952376
"1667738"	113.921738	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na+K"	61.952376
"257540"	395.797968	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+ACN+Na"	64.015768
"1232436"	229.906868	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+ACN+Na"	64.015768
"1714031"	229.930393	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+NH4+HCOOH"	64.039293
"1184489"	78.2862513333333	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+3Na"	68.967654
"1654379"	234.885788	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na+HCOOH"	68.994688
"161970"	408.70124	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2K-H"	76.91904
"600438"	574.59234	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2K-H"	76.91904
"1089323"	242.81014	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2K-H"	76.91904
"144683"	204.854258	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2K"	77.926316
"583516"	287.799808	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2K"	77.926316
"1073863"	121.908708	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2K"	77.926316
"1104886"	244.824692	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2K+H"	78.933592
"1345652"	244.912307	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+DMSO+H"	79.021207
"1015277"	248.951476	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2ACN+H"	83.060376
"1533402"	249.945108	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+IsoProp+Na+H"	84.054008
"1002036"	124.979376	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2ACN+2H"	84.067652
"1596537"	250.859728	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K+HCOOH"	84.968628
"1418917"	280.891238	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+CF3COOH"	115.000138
"1150304"	145.492651	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+3ACN+2H"	125.094202
"1704229"	297.917785	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+NH4+CF3COOH"	132.026685
"1642067"	302.87318	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na+CF3COOH"	136.98208
"1586466"	318.84712	"C14705"	"1112-Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K+CF3COOH"	152.95602
"812457"	154.03	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M"	0
"985990"	135.01161	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-H2O-H"	-19.01839
"69863"	101.679390666667	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M-3H"	-3.021828
"507237"	153.022724	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M-3H"	-3.021828
"887225"	50.3360573333333	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-3H"	-3.021828
"7984"	153.022724	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M-2H"	-2.014552
"449732"	230.037724	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M-2H"	-2.014552
"824253"	76.007724	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-2H"	-2.014552
"88620"	307.052724	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M-H"	-1.007276
"520528"	461.082724	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M-H"	-1.007276
"896264"	153.022724	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-H"	-1.007276
"58177"	324.079271	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M-2H+NH4"	16.019271
"487213"	478.109271	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M-2H+NH4"	16.019271
"864398"	170.049271	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-2H+NH4"	16.019271
"31594"	329.034666	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M-2H+Na"	20.974666
"471821"	483.064666	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M-2H+Na"	20.974666
"850962"	175.004666	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-2H+Na"	20.974666
"1618492"	175.004666	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Na-2H"	20.974666
"94591"	171.011063	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M-H+Cl"	33.962126
"543147"	248.026063	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M-H+Cl"	33.962126
"927342"	93.996063	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-H+Cl"	33.962126
"267351"	343.029402	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+Cl"	34.969402
"660055"	497.059402	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+Cl"	34.969402
"1277858"	188.999402	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Cl"	34.969402
"22603"	345.008606	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M-2H+K"	36.948606
"470550"	499.038606	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M-2H+K"	36.948606
"847623"	190.978606	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-2H+K"	36.948606
"1567835"	190.978606	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+K-2H"	36.948606
"955715"	199.028194	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-H+HCOOH"	44.998194
"375390"	353.058201	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+HCOOH-H"	44.998201
"359277"	367.073851	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+Hac-H"	59.013851
"1503365"	213.043851	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Hac-H"	59.013851
"970179"	221.010151	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-H+NaCOOH"	66.980151
"123828"	188.999402	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+2Cl"	69.938804
"564117"	266.014402	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+2Cl"	69.938804
"1033645"	111.984402	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2Cl"	69.938804
"1253583"	232.948885	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Br"	78.918885
"1314573"	235.004872	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Cl+HCOOH"	80.974872
"1332433"	256.986829	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Cl+NaCOOH"	102.956829
"925313"	267.015586	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M-H+CF3COOH"	112.985586
"1294370"	302.992264	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Cl+CF3COOH"	148.962264
"1373628"	119.017324	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H-2H2O"	-35.012676
"1386748"	137.0273	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H-H2O"	-17.0027
"287528"	309.067276	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+H"	1.007276
"681414"	463.097276	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+H"	1.007276
"1361042"	155.037276	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H"	1.007276
"133567"	155.037276	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+2H"	2.014552
"572397"	232.052276	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+2H"	2.014552
"1040831"	78.022276	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2H"	2.014552
"205207"	103.693942666667	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+3H"	3.021828
"651571"	155.037276	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+3H"	3.021828
"1167511"	52.3506093333333	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+3H"	3.021828
"432977"	326.093823	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+NH4"	18.033823
"788505"	480.123823	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+NH4"	18.033823
"1681381"	172.063823	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+NH4"	18.033823
"330018"	163.5505495	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+H+NH4"	19.041099
"731002"	240.5655495	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+H+NH4"	19.041099
"1477324"	86.5355495	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H+NH4"	19.041099
"395847"	331.049218	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+Na"	22.989218
"754248"	485.079218	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+Na"	22.989218
"1604939"	177.019218	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Na"	22.989218
"317164"	166.028247	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+H+Na"	23.996494
"709587"	243.043247	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+H+Na"	23.996494
"1465593"	89.013247	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H+Na"	23.996494
"1052882"	59.6779233333333	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2H+Na"	25.00377
"1259427"	187.063486	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+CH3OH+H"	33.033486
"379460"	347.023158	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+K"	38.963158
"741183"	501.053158	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+K"	38.963158
"1542145"	192.993158	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+K"	38.963158
"298685"	174.015217	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+H+K"	39.970434
"695027"	251.030217	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+H+K"	39.970434
"1453222"	97.000217	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H+K"	39.970434
"237449"	350.093826	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+ACN+H"	42.033826
"1214531"	196.063826	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+ACN+H"	42.033826
"1195133"	98.535551	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+ACN+2H"	43.041102
"191649"	353.03116	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+2Na-H"	44.97116
"630480"	507.06116	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+2Na-H"	44.97116
"1132767"	199.00116	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2Na-H"	44.97116
"173992"	177.019218	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+2Na"	45.978436
"614529"	254.034218	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+2Na"	45.978436
"1116130"	100.004218	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2Na"	45.978436
"1398677"	67.0052373333333	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H+2Na"	46.985712
"1430390"	201.042746	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H+HCOOH"	47.012746
"227148"	182.05224	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+3H2O+2H"	56.04448
"1513752"	215.09479	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+IsoProp+H"	61.06479
"414898"	185.006188	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+Na+K"	61.952376
"778081"	262.021188	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+Na+K"	61.952376
"1666059"	107.991188	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Na+K"	61.952376
"257651"	372.075768	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+ACN+Na"	64.015768
"1226712"	218.045768	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+ACN+Na"	64.015768
"1715967"	218.069293	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+NH4+HCOOH"	64.039293
"1179737"	74.3325513333333	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+3Na"	68.967654
"1650844"	223.024688	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Na+HCOOH"	68.994688
"158436"	384.97904	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+2K-H"	76.91904
"597545"	539.00904	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+2K-H"	76.91904
"1085420"	230.94904	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2K-H"	76.91904
"141910"	192.993158	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"2M+2K"	77.926316
"581519"	270.008158	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"3M+2K"	77.926316
"1073973"	115.978158	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2K"	77.926316
"1104995"	232.963592	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2K+H"	78.933592
"1343574"	233.051207	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+DMSO+H"	79.021207
"1019398"	237.090376	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2ACN+H"	83.060376
"1538617"	238.084008	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+IsoProp+Na+H"	84.054008
"1004334"	119.048826	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+2ACN+2H"	84.067652
"1597742"	238.998628	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+K+HCOOH"	84.968628
"1419028"	269.030138	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+H+CF3COOH"	115.000138
"1160255"	139.562101	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+3ACN+2H"	125.094202
"1708714"	286.056685	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+NH4+CF3COOH"	132.026685
"1646552"	291.01208	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+Na+CF3COOH"	136.98208
"1586576"	306.98602	"C14706"	"Diethyl sulfate;DES"	"C4H10O4S"	"154.03"	"M+K+CF3COOH"	152.95602
"813660"	249.7628	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M"	0
"985736"	230.74441	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-H2O-H"	-19.01839
"74348"	165.501257333333	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M-3H"	-3.021828
"511721"	248.755524	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M-3H"	-3.021828
"892802"	82.2469906666667	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-3H"	-3.021828
"11374"	248.755524	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M-2H"	-2.014552
"443284"	373.636924	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M-2H"	-2.014552
"824364"	123.874124	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-2H"	-2.014552
"86543"	498.518324	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M-H"	-1.007276
"521729"	748.281124	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M-H"	-1.007276
"896494"	248.755524	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-H"	-1.007276
"50631"	515.544871	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M-2H+NH4"	16.019271
"487351"	765.307671	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M-2H+NH4"	16.019271
"864342"	265.782071	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-2H+NH4"	16.019271
"32128"	520.500266	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M-2H+Na"	20.974666
"472539"	770.263066	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M-2H+Na"	20.974666
"849978"	270.737466	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-2H+Na"	20.974666
"1618650"	270.737466	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Na-2H"	20.974666
"96041"	266.743863	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M-H+Cl"	33.962126
"538882"	391.625263	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M-H+Cl"	33.962126
"927574"	141.862463	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-H+Cl"	33.962126
"267542"	534.495002	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+Cl"	34.969402
"660206"	784.257802	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+Cl"	34.969402
"1277968"	284.732202	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Cl"	34.969402
"25265"	536.474206	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M-2H+K"	36.948606
"464826"	786.237006	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M-2H+K"	36.948606
"847692"	286.711406	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-2H+K"	36.948606
"1568674"	286.711406	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+K-2H"	36.948606
"955825"	294.760994	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-H+HCOOH"	44.998194
"375133"	544.523801	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+HCOOH-H"	44.998201
"359631"	558.539451	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+Hac-H"	59.013851
"1504568"	308.776651	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Hac-H"	59.013851
"971020"	316.742951	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-H+NaCOOH"	66.980151
"123210"	284.732202	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+2Cl"	69.938804
"564591"	409.613602	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+2Cl"	69.938804
"1034483"	159.850802	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2Cl"	69.938804
"1253695"	328.681685	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Br"	78.918885
"1319632"	330.737672	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Cl+HCOOH"	80.974872
"1331814"	352.719629	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Cl+NaCOOH"	102.956829
"925424"	362.748386	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M-H+CF3COOH"	112.985586
"1293386"	398.725064	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Cl+CF3COOH"	148.962264
"1372645"	214.750124	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H-2H2O"	-35.012676
"1387953"	232.7601	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H-H2O"	-17.0027
"287640"	500.532876	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+H"	1.007276
"682251"	750.295676	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+H"	1.007276
"1358236"	250.770076	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H"	1.007276
"131488"	250.770076	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+2H"	2.014552
"569955"	375.651476	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+2H"	2.014552
"1046044"	125.888676	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2H"	2.014552
"212122"	167.515809333333	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+3H"	3.021828
"654599"	250.770076	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+3H"	3.021828
"1170902"	84.2615426666667	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+3H"	3.021828
"435639"	517.559423	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+NH4"	18.033823
"791895"	767.322223	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+NH4"	18.033823
"1681578"	267.796623	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+NH4"	18.033823
"330138"	259.2833495	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+H+NH4"	19.041099
"731112"	384.1647495	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+H+NH4"	19.041099
"1477515"	134.4019495	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H+NH4"	19.041099
"395957"	522.514818	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+Na"	22.989218
"754765"	772.277618	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+Na"	22.989218
"1604441"	272.752018	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Na"	22.989218
"319461"	261.761047	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+H+Na"	23.996494
"710790"	386.642447	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+H+Na"	23.996494
"1466796"	136.879647	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H+Na"	23.996494
"1054576"	91.5888566666667	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2H+Na"	25.00377
"1259537"	282.796286	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+CH3OH+H"	33.033486
"381389"	538.488758	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+K"	38.963158
"743481"	788.251558	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+K"	38.963158
"1541892"	288.725958	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+K"	38.963158
"301985"	269.748017	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+H+K"	39.970434
"695137"	394.629417	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+H+K"	39.970434
"1453332"	144.866617	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H+K"	39.970434
"238653"	541.559426	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+ACN+H"	42.033826
"1215735"	291.796626	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+ACN+H"	42.033826
"1197430"	146.401951	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+ACN+2H"	43.041102
"189569"	544.49676	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+2Na-H"	44.97116
"629860"	794.25956	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+2Na-H"	44.97116
"1132757"	294.73396	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2Na-H"	44.97116
"173738"	272.752018	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+2Na"	45.978436
"613584"	397.633418	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+2Na"	45.978436
"1115723"	147.870618	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2Na"	45.978436
"1398528"	98.9161706666667	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H+2Na"	46.985712
"1430299"	296.775546	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H+HCOOH"	47.012746
"227259"	277.78504	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+3H2O+2H"	56.04448
"1510581"	310.82759	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+IsoProp+H"	61.06479
"415008"	280.738988	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+Na+K"	61.952376
"774910"	405.620388	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+Na+K"	61.952376
"1665892"	155.857588	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Na+K"	61.952376
"256668"	563.541368	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+ACN+Na"	64.015768
"1228280"	313.778568	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+ACN+Na"	64.015768
"1713890"	313.802093	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+NH4+HCOOH"	64.039293
"1179969"	106.243484666667	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+3Na"	68.967654
"1651683"	318.757488	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Na+HCOOH"	68.994688
"159274"	576.44464	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+2K-H"	76.91904
"598467"	826.20744	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+2K-H"	76.91904
"1085167"	326.68184	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2K-H"	76.91904
"142104"	288.725958	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"2M+2K"	77.926316
"584101"	413.607358	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"3M+2K"	77.926316
"1075176"	163.844558	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2K"	77.926316
"1105105"	328.696392	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2K+H"	78.933592
"1343684"	328.784007	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+DMSO+H"	79.021207
"1012214"	332.823176	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2ACN+H"	83.060376
"1527057"	333.816808	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+IsoProp+Na+H"	84.054008
"1004444"	166.915226	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+2ACN+2H"	84.067652
"1596758"	334.731428	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+K+HCOOH"	84.968628
"1422420"	364.762938	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+H+CF3COOH"	115.000138
"1161459"	187.428501	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+3ACN+2H"	125.094202
"1711009"	381.789485	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+NH4+CF3COOH"	132.026685
"1647755"	386.74488	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+Na+CF3COOH"	136.98208
"1586686"	402.71882	"C14707"	"Bromoform;Tribromomethane"	"CHBr3"	"249.7628"	"M+K+CF3COOH"	152.95602
"813770"	161.8639	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M"	0
"986210"	142.84551	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-H2O-H"	-19.01839
"74457"	106.901990666667	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M-3H"	-3.021828
"515111"	160.856624	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M-3H"	-3.021828
"889632"	52.9473573333333	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-3H"	-3.021828
"3830"	160.856624	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M-2H"	-2.014552
"447767"	241.788574	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M-2H"	-2.014552
"824474"	79.924674	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-2H"	-2.014552
"87747"	322.720524	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M-H"	-1.007276
"524026"	484.584424	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M-H"	-1.007276
"896236"	160.856624	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-H"	-1.007276
"50741"	339.747071	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M-2H+NH4"	16.019271
"488589"	501.610971	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M-2H+NH4"	16.019271
"864700"	177.883171	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-2H+NH4"	16.019271
"31532"	344.702466	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M-2H+Na"	20.974666
"472286"	506.566366	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M-2H+Na"	20.974666
"850452"	182.838566	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-2H+Na"	20.974666
"1618641"	182.838566	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Na-2H"	20.974666
"96151"	178.844963	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M-H+Cl"	33.962126
"538992"	259.776913	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M-H+Cl"	33.962126
"927442"	97.913013	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-H+Cl"	33.962126
"268140"	358.697202	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+Cl"	34.969402
"660925"	520.561102	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+Cl"	34.969402
"1280264"	196.833302	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Cl"	34.969402
"25375"	360.676406	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M-2H+K"	36.948606
"461289"	522.540306	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M-2H+K"	36.948606
"844195"	198.812506	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-2H+K"	36.948606
"1566957"	198.812506	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+K-2H"	36.948606
"956664"	206.862094	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-H+HCOOH"	44.998194
"374879"	368.726001	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+HCOOH-H"	44.998201
"359857"	382.741651	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+Hac-H"	59.013851
"1503585"	220.877751	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Hac-H"	59.013851
"971492"	228.844051	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-H+NaCOOH"	66.980151
"124414"	196.833302	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+2Cl"	69.938804
"564337"	277.765252	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+2Cl"	69.938804
"1036052"	115.901352	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2Cl"	69.938804
"1255264"	240.782785	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Br"	78.918885
"1319535"	242.838772	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Cl+HCOOH"	80.974872
"1331925"	264.820729	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Cl+NaCOOH"	102.956829
"923346"	274.849486	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M-H+CF3COOH"	112.985586
"1294590"	310.826164	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Cl+CF3COOH"	148.962264
"1373848"	126.851224	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H-2H2O"	-35.012676
"1388427"	144.8612	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H-H2O"	-17.0027
"287750"	324.735076	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+H"	1.007276
"683455"	486.598976	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+H"	1.007276
"1356523"	162.871176	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H"	1.007276
"131598"	162.871176	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+2H"	2.014552
"570063"	243.803126	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+2H"	2.014552
"1046518"	81.939226	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2H"	2.014552
"208952"	108.916542666667	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+3H"	3.021828
"653980"	162.871176	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+3H"	3.021828
"1167732"	54.9619093333333	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+3H"	3.021828
"436477"	341.761623	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+NH4"	18.033823
"792005"	503.625523	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+NH4"	18.033823
"1681563"	179.897723	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+NH4"	18.033823
"330086"	171.3844495	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+H+NH4"	19.041099
"731222"	252.3163995	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+H+NH4"	19.041099
"1478477"	90.4524995	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H+NH4"	19.041099
"397160"	346.717018	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+Na"	22.989218
"755968"	508.580918	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+Na"	22.989218
"1605159"	184.853118	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Na"	22.989218
"319571"	173.862147	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+H+Na"	23.996494
"717459"	254.794097	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+H+Na"	23.996494
"1467999"	92.930197	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H+Na"	23.996494
"1056871"	62.2892233333333	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2H+Na"	25.00377
"1260739"	194.897386	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+CH3OH+H"	33.033486
"381500"	362.690958	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+K"	38.963158
"743589"	524.554858	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+K"	38.963158
"1544553"	200.827058	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+K"	38.963158
"305010"	181.849117	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+H+K"	39.970434
"696340"	262.781067	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+H+K"	39.970434
"1455628"	100.917167	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H+K"	39.970434
"240220"	365.761626	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+ACN+H"	42.033826
"1218031"	203.897726	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+ACN+H"	42.033826
"1196446"	102.452501	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+ACN+2H"	43.041102
"190408"	368.69896	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+2Na-H"	44.97116
"630453"	530.56286	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+2Na-H"	44.97116
"1132988"	206.83506	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2Na-H"	44.97116
"174574"	184.853118	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+2Na"	45.978436
"613648"	265.785068	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+2Na"	45.978436
"1115671"	103.921168	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2Na"	45.978436
"1398534"	69.6165373333333	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H+2Na"	46.985712
"1430491"	208.876646	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H+HCOOH"	47.012746
"224082"	189.88614	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+3H2O+2H"	56.04448
"1508737"	222.92869	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+IsoProp+H"	61.06479
"414017"	192.840088	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+Na+K"	61.952376
"773196"	273.772038	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+Na+K"	61.952376
"1671349"	111.908138	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Na+K"	61.952376
"253859"	387.743568	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+ACN+Na"	64.015768
"1231670"	225.879668	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+ACN+Na"	64.015768
"1721651"	225.903193	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+NH4+HCOOH"	64.039293
"1181539"	76.9438513333333	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+3Na"	68.967654
"1650741"	230.858588	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Na+HCOOH"	68.994688
"158654"	400.64684	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+2K-H"	76.91904
"597523"	562.51074	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+2K-H"	76.91904
"1086007"	238.78294	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2K-H"	76.91904
"143551"	200.827058	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"2M+2K"	77.926316
"582387"	281.759008	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"3M+2K"	77.926316
"1073100"	119.895108	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2K"	77.926316
"1105215"	240.797492	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2K+H"	78.933592
"1338325"	240.885107	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+DMSO+H"	79.021207
"1010136"	244.924276	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2ACN+H"	83.060376
"1524614"	245.917908	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+IsoProp+Na+H"	84.054008
"1002733"	122.965776	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+2ACN+2H"	84.067652
"1592495"	246.832528	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+K+HCOOH"	84.968628
"1419250"	276.864038	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+H+CF3COOH"	115.000138
"1160476"	143.479051	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+3ACN+2H"	125.094202
"1711119"	293.890585	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+NH4+CF3COOH"	132.026685
"1646772"	298.84598	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+Na+CF3COOH"	136.98208
"1586796"	314.81992	"C14708"	"Bromodichloromethane"	"CHBrCl2"	"161.8639"	"M+K+CF3COOH"	152.95602
"816067"	178.0994	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M"	0
"988507"	159.08101	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"77120"	117.725657333333	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"515221"	177.092124	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"893750"	58.3591906666667	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"3940"	177.092124	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"451156"	266.141824	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"826770"	88.042424	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"90043"	355.191524	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"527416"	533.290924	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"898659"	177.092124	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"54131"	372.218071	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"488585"	550.317471	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"867123"	194.118671	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"35023"	377.173466	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"475676"	555.272866	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"852385"	199.074066	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1624103"	199.074066	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"99541"	195.080463	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"536184"	284.130163	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"929336"	106.030763	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"269347"	391.168202	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"661524"	569.267602	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1280374"	213.068802	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"26944"	393.147406	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"465773"	571.246806	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"841390"	215.048006	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1568888"	215.048006	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"956774"	223.097594	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"375719"	401.197001	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"360697"	415.212651	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1506612"	237.113251	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"971970"	245.079551	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"125252"	213.068802	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"564697"	302.118502	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1036163"	124.019102	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1256832"	257.018285	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1319281"	259.074272	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1335505"	281.056229	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"926256"	291.084986	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1300167"	327.061664	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1377238"	143.086724	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1392547"	161.0967	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"292234"	357.206076	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"682472"	535.305476	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1357726"	179.106676	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"134988"	179.106676	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"572362"	268.156376	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1047722"	90.056976	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"211249"	119.740209333333	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"654090"	179.106676	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1171122"	60.3737426666667	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"436587"	374.232623	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"788835"	552.332023	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1682247"	196.133223	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"329977"	187.6199495	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"731332"	276.6696495	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1477618"	98.5702495	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"399458"	379.188018	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"761546"	557.287418	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1611830"	201.088618	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"321867"	190.097647	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"715383"	279.147347	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1469203"	101.047947	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1061356"	67.7010566666667	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1264129"	211.132886	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"384890"	395.161958	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"745886"	573.261358	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1546851"	217.062558	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"306212"	198.084617	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"697544"	287.134317	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1457926"	109.034917	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"242153"	398.232626	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1219234"	220.133226	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1197650"	110.570251	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"190157"	401.16996	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"633362"	579.26936	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1132737"	223.07056	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"174200"	201.088618	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"613520"	290.138318	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1116175"	112.038918	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1401283"	75.0283706666667	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1432303"	225.112146	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"224192"	206.12164	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1510067"	239.16419	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"416314"	209.075588	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"773306"	298.125288	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1672552"	120.025888	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"256886"	420.214568	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1230687"	242.115168	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1717388"	242.138693	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1179093"	82.3556846666667	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1651173"	247.094088	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"157673"	433.11784	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"597244"	611.21724	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1086115"	255.01844	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"143661"	217.062558	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"582133"	306.112258	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1074304"	128.012858	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1105325"	257.032992	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1336612"	257.120607	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1008178"	261.159776	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1525575"	262.153408	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"1000289"	131.083526	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1596978"	263.068028	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1418263"	293.099538	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1160586"	151.596801	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1711229"	310.126085	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1646882"	315.08148	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1586906"	331.05542	"C14709"	"11-Dimethylethyl benzoate;tert-Butyl benzoate"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"813990"	74.0732	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M"	0
"985337"	55.05481	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-H2O-H"	-19.01839
"74678"	48.3748573333333	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M-3H"	-3.021828
"514237"	73.065924	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M-3H"	-3.021828
"890946"	23.6837906666667	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-3H"	-3.021828
"11708"	73.065924	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M-2H"	-2.014552
"452730"	110.102524	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M-2H"	-2.014552
"831255"	36.029324	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-2H"	-2.014552
"91977"	147.139124	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M-H"	-1.007276
"530448"	221.212324	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M-H"	-1.007276
"906792"	73.065924	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-H"	-1.007276
"53148"	164.165671	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M-2H+NH4"	16.019271
"494892"	238.238871	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M-2H+NH4"	16.019271
"872697"	90.092471	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-2H+NH4"	16.019271
"41693"	169.121066	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M-2H+Na"	20.974666
"474693"	243.194266	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M-2H+Na"	20.974666
"853589"	95.047866	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-2H+Na"	20.974666
"1627496"	95.047866	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Na-2H"	20.974666
"98557"	91.054263	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M-H+Cl"	33.962126
"539208"	128.090863	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M-H+Cl"	33.962126
"930539"	54.017663	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-H+Cl"	33.962126
"271283"	183.115802	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+Cl"	34.969402
"665891"	257.189002	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+Cl"	34.969402
"1278298"	109.042602	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Cl"	34.969402
"27054"	185.095006	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M-2H+K"	36.948606
"465883"	259.168206	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M-2H+K"	36.948606
"841500"	111.021806	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-2H+K"	36.948606
"1568998"	111.021806	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+K-2H"	36.948606
"956155"	119.071394	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-H+HCOOH"	44.998194
"374735"	193.144601	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+HCOOH-H"	44.998201
"360076"	207.160251	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+Hac-H"	59.013851
"1505628"	133.087051	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Hac-H"	59.013851
"972077"	141.053351	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-H+NaCOOH"	66.980151
"123904"	109.042602	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+2Cl"	69.938804
"562740"	146.079202	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+2Cl"	69.938804
"1034818"	72.006002	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2Cl"	69.938804
"1255850"	152.992085	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Br"	78.918885
"1319517"	155.048072	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Cl+HCOOH"	80.974872
"1334952"	177.030029	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Cl+NaCOOH"	102.956829
"926822"	187.058786	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M-H+CF3COOH"	112.985586
"1300276"	223.035464	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Cl+CF3COOH"	148.962264
"1377348"	39.060524	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H-2H2O"	-35.012676
"1391562"	57.0705	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H-H2O"	-17.0027
"291248"	149.153676	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+H"	1.007276
"685862"	223.226876	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+H"	1.007276
"1358931"	75.080476	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H"	1.007276
"134007"	75.080476	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+2H"	2.014552
"573568"	112.117076	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+2H"	2.014552
"1043460"	38.043876	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2H"	2.014552
"215372"	50.3894093333333	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+3H"	3.021828
"655295"	75.080476	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+3H"	3.021828
"1174150"	25.6983426666667	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+3H"	3.021828
"433417"	166.180223	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+NH4"	18.033823
"790038"	240.253423	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+NH4"	18.033823
"1681990"	92.107023	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+NH4"	18.033823
"334645"	83.5937495	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+H+NH4"	19.041099
"729255"	120.6303495	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+H+NH4"	19.041099
"1486355"	46.5571495	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H+NH4"	19.041099
"402850"	171.135618	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+Na"	22.989218
"768707"	245.208818	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+Na"	22.989218
"1614128"	97.062418	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Na"	22.989218
"325259"	86.071447	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+H+Na"	23.996494
"718775"	123.108047	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+H+Na"	23.996494
"1476974"	49.034847	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H+Na"	23.996494
"1064748"	33.0256566666667	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2H+Na"	25.00377
"1267520"	107.106686	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+CH3OH+H"	33.033486
"389375"	187.109558	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+K"	38.963158
"749278"	261.182758	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+K"	38.963158
"1552428"	113.036358	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+K"	38.963158
"310698"	94.058417	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+H+K"	39.970434
"697654"	131.095017	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+H+K"	39.970434
"1458035"	57.021817	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H+K"	39.970434
"242262"	190.180226	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+ACN+H"	42.033826
"1222260"	116.107026	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+ACN+H"	42.033826
"1204321"	58.557151	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+ACN+2H"	43.041102
"196099"	193.11756	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+2Na-H"	44.97116
"641856"	267.19076	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+2Na-H"	44.97116
"1142446"	119.04436	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2Na-H"	44.97116
"176988"	97.062418	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+2Na"	45.978436
"615576"	134.099018	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+2Na"	45.978436
"1118112"	60.025818	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2Na"	45.978436
"1403579"	40.3529706666667	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H+2Na"	46.985712
"1435694"	121.085946	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H+HCOOH"	47.012746
"224302"	102.09544	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+3H2O+2H"	56.04448
"1510177"	135.13799	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+IsoProp+H"	61.06479
"416424"	105.049388	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+Na+K"	61.952376
"773052"	142.085988	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+Na+K"	61.952376
"1672662"	68.012788	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Na+K"	61.952376
"258089"	212.162168	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+ACN+Na"	64.015768
"1236264"	138.088968	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+ACN+Na"	64.015768
"1719685"	138.112493	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+NH4+HCOOH"	64.039293
"1186132"	47.6802846666667	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+3Na"	68.967654
"1654931"	143.067888	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Na+HCOOH"	68.994688
"159606"	225.06544	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+2K-H"	76.91904
"601354"	299.13864	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+2K-H"	76.91904
"1086957"	150.99224	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2K-H"	76.91904
"144866"	113.036358	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"2M+2K"	77.926316
"584430"	150.072958	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"3M+2K"	77.926316
"1075506"	75.999758	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2K"	77.926316
"1105435"	153.006792	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2K+H"	78.933592
"1341826"	153.094407	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+DMSO+H"	79.021207
"1009260"	157.133576	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2ACN+H"	83.060376
"1527385"	158.127208	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+IsoProp+Na+H"	84.054008
"990918"	79.070426	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+2ACN+2H"	84.067652
"1589794"	159.041828	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+K+HCOOH"	84.968628
"1418367"	189.073338	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+H+CF3COOH"	115.000138
"1147066"	99.583701	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+3ACN+2H"	125.094202
"1697019"	206.099885	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+NH4+CF3COOH"	132.026685
"1637144"	211.05528	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+Na+CF3COOH"	136.98208
"1572797"	227.02922	"C14710"	"Isobutyl alcohol;2-Methyl-1-propanol;1-Hydroxymethylpropane"	"C4H10O"	"74.0732"	"M+K+CF3COOH"	152.95602
"814100"	127.8731	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M"	0
"986540"	108.85471	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-H2O-H"	-19.01839
"72601"	84.2414573333333	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M-3H"	-3.021828
"515440"	126.865824	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M-3H"	-3.021828
"892150"	41.6170906666667	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-3H"	-3.021828
"12910"	126.865824	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M-2H"	-2.014552
"450284"	190.802374	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M-2H"	-2.014552
"826993"	62.929274	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-2H"	-2.014552
"90265"	254.738924	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M-H"	-1.007276
"530919"	382.612024	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M-H"	-1.007276
"905445"	126.865824	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-H"	-1.007276
"59820"	271.765471	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M-2H+NH4"	16.019271
"498283"	399.638571	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M-2H+NH4"	16.019271
"872807"	143.892371	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-2H+NH4"	16.019271
"40710"	276.720866	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M-2H+Na"	20.974666
"473830"	404.593966	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M-2H+Na"	20.974666
"850782"	148.847766	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-2H+Na"	20.974666
"1623231"	148.847766	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Na-2H"	20.974666
"96479"	144.854163	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M-H+Cl"	33.962126
"539323"	208.790713	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M-H+Cl"	33.962126
"937213"	80.917613	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-H+Cl"	33.962126
"272487"	290.715602	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+Cl"	34.969402
"669649"	418.588702	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+Cl"	34.969402
"1280594"	162.842502	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Cl"	34.969402
"26070"	292.694806	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M-2H+K"	36.948606
"468182"	420.567906	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M-2H+K"	36.948606
"844525"	164.821706	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-2H+K"	36.948606
"1569108"	164.821706	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+K-2H"	36.948606
"957605"	172.871294	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-H+HCOOH"	44.998194
"376264"	300.744401	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+HCOOH-H"	44.998201
"360435"	314.760051	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+Hac-H"	59.013851
"1507198"	186.886951	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Hac-H"	59.013851
"970373"	194.853251	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-H+NaCOOH"	66.980151
"122917"	162.842502	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+2Cl"	69.938804
"564547"	226.779052	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+2Cl"	69.938804
"1036266"	98.905952	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2Cl"	69.938804
"1255594"	206.791985	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Br"	78.918885
"1319707"	208.847972	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Cl+HCOOH"	80.974872
"1335134"	230.829929	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Cl+NaCOOH"	102.956829
"924407"	240.858686	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M-H+CF3COOH"	112.985586
"1296013"	276.835364	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Cl+CF3COOH"	148.962264
"1375272"	92.860424	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H-2H2O"	-35.012676
"1394957"	110.8704	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H-H2O"	-17.0027
"291361"	256.753476	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+H"	1.007276
"682695"	384.626576	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+H"	1.007276
"1359043"	128.880376	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H"	1.007276
"127190"	128.880376	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+2H"	2.014552
"572583"	192.816926	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+2H"	2.014552
"1037856"	64.943826	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2H"	2.014552
"208190"	86.2560093333333	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+3H"	3.021828
"647750"	128.880376	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+3H"	3.021828
"1168064"	43.6316426666667	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+3H"	3.021828
"433527"	273.780023	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+NH4"	18.033823
"786868"	401.653123	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+NH4"	18.033823
"1686478"	145.906923	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+NH4"	18.033823
"341317"	137.3936495	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+H+NH4"	19.041099
"731552"	201.3301995	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+H+NH4"	19.041099
"1483185"	73.4570995	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H+NH4"	19.041099
"405146"	278.735418	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+Na"	22.989218
"767235"	406.608518	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+Na"	22.989218
"1613145"	150.862318	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Na"	22.989218
"319903"	139.871347	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+H+Na"	23.996494
"713418"	203.807897	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+H+Na"	23.996494
"1469424"	75.934797	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H+Na"	23.996494
"1059390"	50.9589566666667	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2H+Na"	25.00377
"1267631"	160.906586	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+CH3OH+H"	33.033486
"385111"	294.709358	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+K"	38.963158
"746107"	422.582458	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+K"	38.963158
"1553630"	166.836258	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+K"	38.963158
"308620"	147.858317	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+H+K"	39.970434
"697764"	211.794867	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+H+K"	39.970434
"1457052"	83.921767	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H+K"	39.970434
"246748"	297.780026	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+ACN+H"	42.033826
"1218362"	169.906926	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+ACN+H"	42.033826
"1202247"	85.457101	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+ACN+2H"	43.041102
"194023"	300.71736	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+2Na-H"	44.97116
"639050"	428.59046	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+2Na-H"	44.97116
"1133809"	172.84426	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2Na-H"	44.97116
"174912"	150.862318	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+2Na"	45.978436
"614472"	214.798868	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+2Na"	45.978436
"1116033"	86.925768	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2Na"	45.978436
"1400410"	58.2862706666667	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H+2Na"	46.985712
"1432524"	174.885846	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H+HCOOH"	47.012746
"224776"	155.89534	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+3H2O+2H"	56.04448
"1511015"	188.93789	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+IsoProp+H"	61.06479
"417627"	158.849288	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+Na+K"	61.952376
"773162"	222.785838	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+Na+K"	61.952376
"1676053"	94.912738	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Na+K"	61.952376
"258200"	319.761968	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+ACN+Na"	64.015768
"1232004"	191.888868	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+ACN+Na"	64.015768
"1720889"	191.912393	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+NH4+HCOOH"	64.039293
"1190616"	65.6135846666667	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+3Na"	68.967654
"1659416"	196.867788	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Na+HCOOH"	68.994688
"164088"	332.66524	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+2K-H"	76.91904
"599276"	460.53834	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+2K-H"	76.91904
"1089253"	204.79214	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2K-H"	76.91904
"148257"	166.836258	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"2M+2K"	77.926316
"584901"	230.772808	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"3M+2K"	77.926316
"1070512"	102.899708	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2K"	77.926316
"1105545"	206.806692	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2K+H"	78.933592
"1338656"	206.894307	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+DMSO+H"	79.021207
"1008277"	210.933476	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2ACN+H"	83.060376
"1526766"	211.927108	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+IsoProp+Na+H"	84.054008
"996132"	105.970376	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+2ACN+2H"	84.067652
"1590634"	212.841728	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+K+HCOOH"	84.968628
"1417021"	242.873238	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+H+CF3COOH"	115.000138
"1148402"	126.483651	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+3ACN+2H"	125.094202
"1704883"	259.899785	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+NH4+CF3COOH"	132.026685
"1635064"	264.85518	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+Na+CF3COOH"	136.98208
"1572907"	280.82912	"C14711"	"Nickel chloride;Nickel(II) chloride"	"NiCl2"	"127.8731"	"M+K+CF3COOH"	152.95602
"810930"	160.9799	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M"	0
"983370"	141.96151	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-H2O-H"	-19.01839
"74897"	106.312657333333	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M-3H"	-3.021828
"515550"	159.972624	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M-3H"	-3.021828
"893353"	52.6526906666667	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-3H"	-3.021828
"14113"	159.972624	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H"	-2.014552
"450394"	240.462574	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H"	-2.014552
"827103"	79.482674	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H"	-2.014552
"90011"	320.952524	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M-H"	-1.007276
"531029"	481.932424	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M-H"	-1.007276
"904462"	159.972624	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-H"	-1.007276
"59202"	337.979071	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H+NH4"	16.019271
"497300"	498.958971	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H+NH4"	16.019271
"872918"	176.999171	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H+NH4"	16.019271
"42279"	342.934466	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H+Na"	20.974666
"473819"	503.914366	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H+Na"	20.974666
"850528"	181.954566	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H+Na"	20.974666
"1624434"	181.954566	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na-2H"	20.974666
"97681"	177.960963	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M-H+Cl"	33.962126
"539433"	258.450913	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M-H+Cl"	33.962126
"937323"	97.471013	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+Cl"	33.962126
"273690"	356.929202	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Cl"	34.969402
"669393"	517.909102	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+Cl"	34.969402
"1280704"	195.949302	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl"	34.969402
"25087"	358.908406	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M-2H+K"	36.948606
"466105"	519.888306	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M-2H+K"	36.948606
"840626"	197.928506	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-2H+K"	36.948606
"1566302"	197.928506	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+K-2H"	36.948606
"957470"	205.978094	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+HCOOH"	44.998194
"376047"	366.958001	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+HCOOH-H"	44.998201
"360783"	380.973651	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Hac-H"	59.013851
"1507550"	219.993751	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Hac-H"	59.013851
"971203"	227.960051	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+NaCOOH"	66.980151
"123390"	195.949302	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2Cl"	69.938804
"564047"	276.439252	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2Cl"	69.938804
"1035395"	115.459352	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2Cl"	69.938804
"1254245"	239.898785	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Br"	78.918885
"1316329"	241.954772	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl+HCOOH"	80.974872
"1335366"	263.936729	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl+NaCOOH"	102.956829
"924517"	273.965486	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M-H+CF3COOH"	112.985586
"1293936"	309.942164	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Cl+CF3COOH"	148.962264
"1371006"	125.967224	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H-2H2O"	-35.012676
"1389599"	143.9772	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H-H2O"	-17.0027
"288191"	322.967076	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H"	1.007276
"676607"	483.946976	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H"	1.007276
"1352957"	161.987176	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H"	1.007276
"127301"	161.987176	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2H"	2.014552
"567226"	242.477126	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2H"	2.014552
"1039667"	81.497226	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2H"	2.014552
"205138"	108.327209333333	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+3H"	3.021828
"646402"	161.987176	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+3H"	3.021828
"1164527"	54.6672426666667	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+3H"	3.021828
"432544"	339.993623	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+NH4"	18.033823
"792445"	500.973523	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+NH4"	18.033823
"1686588"	179.013723	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+NH4"	18.033823
"339240"	170.5004495	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H+NH4"	19.041099
"731662"	250.9903995	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H+NH4"	19.041099
"1483295"	90.0104995	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+NH4"	19.041099
"406349"	344.949018	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Na"	22.989218
"768438"	505.928918	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+Na"	22.989218
"1613255"	183.969118	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na"	22.989218
"320013"	172.978147	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H+Na"	23.996494
"713528"	253.468097	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H+Na"	23.996494
"1470627"	92.488197	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+Na"	23.996494
"1059500"	61.9945566666667	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2H+Na"	25.00377
"1267741"	194.013386	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+CH3OH+H"	33.033486
"385221"	360.922958	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+K"	38.963158
"747311"	521.902858	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+K"	38.963158
"1552282"	199.943058	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+K"	38.963158
"309821"	180.965117	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+H+K"	39.970434
"697872"	261.455067	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+H+K"	39.970434
"1453882"	100.475167	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+K"	39.970434
"243576"	363.993626	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+ACN+H"	42.033826
"1216285"	203.013726	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+ACN+H"	42.033826
"1195796"	102.010501	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+ACN+2H"	43.041102
"191946"	366.93096	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2Na-H"	44.97116
"632599"	527.91086	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2Na-H"	44.97116
"1132825"	205.95106	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2Na-H"	44.97116
"172951"	183.969118	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2Na"	45.978436
"613485"	264.459068	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2Na"	45.978436
"1116267"	103.479168	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2Na"	45.978436
"1398939"	69.3218706666667	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+2Na"	46.985712
"1429958"	207.992646	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+HCOOH"	47.012746
"224886"	189.00214	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+3H2O+2H"	56.04448
"1508938"	222.04469	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+IsoProp+H"	61.06479
"414457"	191.956088	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+Na+K"	61.952376
"777645"	272.446038	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+Na+K"	61.952376
"1673976"	111.466138	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na+K"	61.952376
"260496"	385.975568	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+ACN+Na"	64.015768
"1233206"	224.995668	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+ACN+Na"	64.015768
"1717718"	225.019193	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+NH4+HCOOH"	64.039293
"1189998"	76.6491846666667	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+3Na"	68.967654
"1660618"	229.974588	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na+HCOOH"	68.994688
"158734"	398.87884	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2K-H"	76.91904
"599386"	559.85874	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2K-H"	76.91904
"1085356"	237.89894	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2K-H"	76.91904
"146180"	199.943058	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"2M+2K"	77.926316
"583189"	280.433008	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"3M+2K"	77.926316
"1072444"	119.453108	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2K"	77.926316
"1106748"	239.913492	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2K+H"	78.933592
"1338766"	240.001107	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+DMSO+H"	79.021207
"1010573"	244.040276	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2ACN+H"	83.060376
"1526512"	245.033908	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+IsoProp+Na+H"	84.054008
"996242"	122.523776	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+2ACN+2H"	84.067652
"1590744"	245.948528	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+K+HCOOH"	84.968628
"1416403"	275.980038	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+H+CF3COOH"	115.000138
"1148512"	143.037051	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+3ACN+2H"	125.094202
"1704993"	293.006585	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+NH4+CF3COOH"	132.026685
"1635175"	297.96198	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+Na+CF3COOH"	136.98208
"1571924"	313.93592	"C14712"	"25-Dichloroaniline;1-Amino-25-dichlorobenzene;25-DCA"	"C6H5Cl2N"	"160.9799"	"M+K+CF3COOH"	152.95602
"815051"	183.028	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M"	0
"989558"	164.00961	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-H2O-H"	-19.01839
"72821"	121.011390666667	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M-3H"	-3.021828
"512381"	182.020724	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M-3H"	-3.021828
"892369"	60.0020573333333	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-3H"	-3.021828
"14223"	182.020724	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M-2H"	-2.014552
"452330"	273.534724	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M-2H"	-2.014552
"818468"	90.506724	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-2H"	-2.014552
"87206"	365.048724	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M-H"	-1.007276
"526767"	548.076724	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M-H"	-1.007276
"906759"	182.020724	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-H"	-1.007276
"58583"	382.075271	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M-2H+NH4"	16.019271
"497047"	565.103271	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M-2H+NH4"	16.019271
"874121"	199.047271	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-2H+NH4"	16.019271
"40930"	387.030666	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M-2H+Na"	20.974666
"471983"	570.058666	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M-2H+Na"	20.974666
"851730"	204.002666	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-2H+Na"	20.974666
"1620171"	204.002666	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Na-2H"	20.974666
"94876"	200.009063	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M-H+Cl"	33.962126
"539542"	291.523063	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M-H+Cl"	33.962126
"936340"	108.495063	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-H+Cl"	33.962126
"274892"	401.025402	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+Cl"	34.969402
"669503"	584.053402	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+Cl"	34.969402
"1282636"	217.997402	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Cl"	34.969402
"25197"	403.004606	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M-2H+K"	36.948606
"468039"	586.032606	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M-2H+K"	36.948606
"838913"	219.976606	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-2H+K"	36.948606
"1564225"	219.976606	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+K-2H"	36.948606
"956484"	228.026194	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-H+HCOOH"	44.998194
"373241"	411.054201	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+HCOOH-H"	44.998201
"356032"	425.069851	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+Hac-H"	59.013851
"1503769"	242.041851	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Hac-H"	59.013851
"972407"	250.008151	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-H+NaCOOH"	66.980151
"120948"	217.997402	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+2Cl"	69.938804
"563792"	309.511402	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+2Cl"	69.938804
"1034778"	126.483402	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2Cl"	69.938804
"1252531"	261.946885	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Br"	78.918885
"1316073"	264.002872	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Cl+HCOOH"	80.974872
"1334787"	285.984829	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Cl+NaCOOH"	102.956829
"924263"	296.013586	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M-H+CF3COOH"	112.985586
"1295139"	331.990264	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Cl+CF3COOH"	148.962264
"1373667"	148.015324	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H-2H2O"	-35.012676
"1389709"	166.0253	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H-H2O"	-17.0027
"292675"	367.063276	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+H"	1.007276
"677447"	550.091276	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+H"	1.007276
"1355983"	184.035276	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H"	1.007276
"129963"	184.035276	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+2H"	2.014552
"567337"	275.549276	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+2H"	2.014552
"1038320"	92.521276	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2H"	2.014552
"206224"	123.025942666667	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+3H"	3.021828
"646878"	184.035276	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+3H"	3.021828
"1167191"	62.0166093333333	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+3H"	3.021828
"436302"	384.089823	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+NH4"	18.033823
"792555"	567.117823	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+NH4"	18.033823
"1686698"	201.061823	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+NH4"	18.033823
"339350"	192.5485495	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+H+NH4"	19.041099
"735053"	284.0625495	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+H+NH4"	19.041099
"1483405"	101.0345495	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H+NH4"	19.041099
"405366"	389.045218	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+Na"	22.989218
"768427"	572.073218	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+Na"	22.989218
"1612271"	206.017218	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Na"	22.989218
"323404"	195.026247	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+H+Na"	23.996494
"715825"	286.540247	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+H+Na"	23.996494
"1471833"	103.512247	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H+Na"	23.996494
"1063983"	69.3439233333333	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2H+Na"	25.00377
"1268945"	216.061486	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+CH3OH+H"	33.033486
"384239"	405.019158	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+K"	38.963158
"750338"	588.047158	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+K"	38.963158
"1554703"	221.991158	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+K"	38.963158
"312727"	203.013217	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+H+K"	39.970434
"696889"	294.527217	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+H+K"	39.970434
"1455085"	111.499217	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H+K"	39.970434
"245874"	408.089826	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+ACN+H"	42.033826
"1218582"	225.061826	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+ACN+H"	42.033826
"1197364"	113.034551	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+ACN+2H"	43.041102
"190233"	411.02716	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+2Na-H"	44.97116
"630155"	594.05516	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+2Na-H"	44.97116
"1131920"	227.99916	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2Na-H"	44.97116
"178413"	206.017218	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+2Na"	45.978436
"613110"	297.531218	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+2Na"	45.978436
"1117105"	114.503218	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2Na"	45.978436
"1400629"	76.6712373333333	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H+2Na"	46.985712
"1434204"	230.040746	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H+HCOOH"	47.012746
"221469"	211.05024	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+3H2O+2H"	56.04448
"1510870"	244.09279	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+IsoProp+H"	61.06479
"419673"	214.004188	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+Na+K"	61.952376
"776662"	305.518188	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+Na+K"	61.952376
"1671900"	122.490188	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Na+K"	61.952376
"261701"	430.071768	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+ACN+Na"	64.015768
"1233318"	247.043768	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+ACN+Na"	64.015768
"1716736"	247.067293	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+NH4+HCOOH"	64.039293
"1184276"	83.9985513333333	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+3Na"	68.967654
"1655262"	252.022688	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Na+HCOOH"	68.994688
"157751"	442.97504	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+2K-H"	76.91904
"598405"	626.00304	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+2K-H"	76.91904
"1085102"	259.94704	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2K-H"	76.91904
"145198"	221.991158	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"2M+2K"	77.926316
"585851"	313.505158	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"3M+2K"	77.926316
"1073649"	130.477158	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2K"	77.926316
"1104674"	261.961592	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2K+H"	78.933592
"1338876"	262.049207	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+DMSO+H"	79.021207
"1009592"	266.088376	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2ACN+H"	83.060376
"1529904"	267.082008	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+IsoProp+Na+H"	84.054008
"996352"	133.547826	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+2ACN+2H"	84.067652
"1594134"	267.996628	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+K+HCOOH"	84.968628
"1421982"	298.028138	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+H+CF3COOH"	115.000138
"1158834"	154.061101	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+3ACN+2H"	125.094202
"1706197"	315.054685	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+NH4+CF3COOH"	132.026685
"1634557"	320.01008	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+Na+CF3COOH"	136.98208
"1572034"	335.98402	"C14713"	"24-Dinitroaniline;1-Amino-24-dinitrobenzene"	"C6H5N3O4"	"183.028"	"M+K+CF3COOH"	152.95602
"811150"	317.9537	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M"	0
"989552"	298.93531	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-H2O-H"	-19.01839
"74024"	210.961857333333	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M-3H"	-3.021828
"510303"	316.946424	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M-3H"	-3.021828
"891386"	104.977290666667	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-3H"	-3.021828
"9960"	316.946424	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M-2H"	-2.014552
"450614"	475.923274	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M-2H"	-2.014552
"818578"	157.969574	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-2H"	-2.014552
"84036"	634.900124	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M-H"	-1.007276
"530157"	952.853824	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M-H"	-1.007276
"906503"	316.946424	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-H"	-1.007276
"54680"	651.926671	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M-2H+NH4"	16.019271
"495335"	969.880371	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M-2H+NH4"	16.019271
"873137"	333.972971	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-2H+NH4"	16.019271
"41769"	656.882066	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M-2H+Na"	20.974666
"472336"	974.835766	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M-2H+Na"	20.974666
"852934"	338.928366	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-2H+Na"	20.974666
"1620280"	338.928366	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Na-2H"	20.974666
"96808"	334.934763	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M-H+Cl"	33.962126
"538558"	493.911613	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M-H+Cl"	33.962126
"936813"	175.957913	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-H+Cl"	33.962126
"275002"	670.876802	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+Cl"	34.969402
"671070"	988.830502	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+Cl"	34.969402
"1283109"	352.923102	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Cl"	34.969402
"24211"	672.856006	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M-2H+K"	36.948606
"468507"	990.809706	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M-2H+K"	36.948606
"841207"	354.902306	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-2H+K"	36.948606
"1561053"	354.902306	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+K-2H"	36.948606
"954406"	362.951894	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-H+HCOOH"	44.998194
"371528"	680.905601	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+HCOOH-H"	44.998201
"355413"	694.921251	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+Hac-H"	59.013851
"1504243"	376.967551	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Hac-H"	59.013851
"972394"	384.933851	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-H+NaCOOH"	66.980151
"120694"	352.923102	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+2Cl"	69.938804
"564266"	511.899952	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+2Cl"	69.938804
"1034521"	193.946252	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2Cl"	69.938804
"1249725"	396.872585	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Br"	78.918885
"1313267"	398.928572	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Cl+HCOOH"	80.974872
"1332951"	420.910529	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Cl+NaCOOH"	102.956829
"922914"	430.939286	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M-H+CF3COOH"	112.985586
"1297436"	466.915964	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Cl+CF3COOH"	148.962264
"1371955"	282.941024	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H-2H2O"	-35.012676
"1392005"	300.951	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H-H2O"	-17.0027
"293878"	636.914676	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+H"	1.007276
"677921"	954.868376	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+H"	1.007276
"1357186"	318.960976	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H"	1.007276
"131166"	318.960976	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+2H"	2.014552
"567445"	477.937826	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+2H"	2.014552
"1038795"	159.984126	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2H"	2.014552
"206334"	212.976409333333	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+3H"	3.021828
"646988"	318.960976	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+3H"	3.021828
"1168394"	106.991842666667	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+3H"	3.021828
"438233"	653.941223	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+NH4"	18.033823
"792665"	971.894923	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+NH4"	18.033823
"1685715"	335.987523	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+NH4"	18.033823
"338367"	327.4742495	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+H+NH4"	19.041099
"734070"	486.4510995	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+H+NH4"	19.041099
"1483515"	168.4973995	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H+NH4"	19.041099
"403289"	658.896618	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+Na"	22.989218
"769513"	976.850318	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+Na"	22.989218
"1618265"	340.942918	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Na"	22.989218
"324607"	329.951947	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+H+Na"	23.996494
"720310"	488.928797	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+H+Na"	23.996494
"1474130"	170.975097	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H+Na"	23.996494
"1064094"	114.319156666667	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2H+Na"	25.00377
"1270149"	350.987186	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+CH3OH+H"	33.033486
"390910"	674.870558	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+K"	38.963158
"751908"	992.824258	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+K"	38.963158
"1554940"	356.916858	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+K"	38.963158
"311138"	337.938917	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+H+K"	39.970434
"698094"	496.915767	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+H+K"	39.970434
"1454100"	178.962067	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H+K"	39.970434
"245985"	677.941226	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+ACN+H"	42.033826
"1216506"	359.987526	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+ACN+H"	42.033826
"1196016"	180.497401	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+ACN+2H"	43.041102
"197634"	680.87856	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+2Na-H"	44.97116
"629537"	998.83226	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+2Na-H"	44.97116
"1133768"	362.92486	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2Na-H"	44.97116
"180709"	340.942918	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+2Na"	45.978436
"613381"	499.919768	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+2Na"	45.978436
"1117945"	181.966068	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2Na"	45.978436
"1400132"	121.646470666667	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H+2Na"	46.985712
"1432128"	364.966446	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H+HCOOH"	47.012746
"222919"	345.97594	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+3H2O+2H"	56.04448
"1517178"	379.01849	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+IsoProp+H"	61.06479
"419783"	348.929888	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+Na+K"	61.952376
"776772"	507.906738	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+Na+K"	61.952376
"1669824"	189.953038	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Na+K"	61.952376
"255251"	699.923168	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+ACN+Na"	64.015768
"1234521"	381.969468	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+ACN+Na"	64.015768
"1716846"	381.992993	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+NH4+HCOOH"	64.039293
"1184386"	128.973784666667	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+3Na"	68.967654
"1656465"	386.948388	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Na+HCOOH"	68.994688
"160048"	712.82644	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+2K-H"	76.91904
"601795"	1030.78014	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+2K-H"	76.91904
"1086306"	394.87274	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2K-H"	76.91904
"146401"	356.916858	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"2M+2K"	77.926316
"585961"	515.893708	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"3M+2K"	77.926316
"1072660"	197.940008	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2K"	77.926316
"1103687"	396.887292	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2K+H"	78.933592
"1337403"	396.974907	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+DMSO+H"	79.021207
"1007637"	401.014076	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2ACN+H"	83.060376
"1531108"	402.007708	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+IsoProp+Na+H"	84.054008
"996462"	201.010676	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+2ACN+2H"	84.067652
"1589871"	402.922328	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+K+HCOOH"	84.968628
"1421000"	432.953838	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+H+CF3COOH"	115.000138
"1158944"	221.523951	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+3ACN+2H"	125.094202
"1709587"	449.980385	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+NH4+CF3COOH"	132.026685
"1636854"	454.93578	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+Na+CF3COOH"	136.98208
"1571656"	470.90972	"C14714"	"2-(m-Chlorophenyl)-2-(p-chlorophenyl)-11-dichloroethane;mp-DDD"	"C14H10Cl4"	"317.9537"	"M+K+CF3COOH"	152.95602
"807979"	156.0342	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M"	0
"983700"	137.01581	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-H2O-H"	-19.01839
"74134"	103.015524	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M-3H"	-3.021828
"509320"	155.026924	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M-3H"	-3.021828
"892590"	51.004124	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-3H"	-3.021828
"13350"	155.026924	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M-2H"	-2.014552
"450724"	233.044024	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M-2H"	-2.014552
"817833"	77.009824	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-2H"	-2.014552
"84146"	311.061124	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M-H"	-1.007276
"526987"	467.095324	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M-H"	-1.007276
"906612"	155.026924	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-H"	-1.007276
"56978"	328.087671	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M-2H+NH4"	16.019271
"497631"	484.121871	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M-2H+NH4"	16.019271
"871059"	172.053471	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-2H+NH4"	16.019271
"41150"	333.043066	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M-2H+Na"	20.974666
"474149"	489.077266	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M-2H+Na"	20.974666
"856324"	177.008866	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-2H+Na"	20.974666
"1620391"	177.008866	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Na-2H"	20.974666
"96189"	173.015263	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M-H+Cl"	33.962126
"538668"	251.032363	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M-H+Cl"	33.962126
"938745"	94.998163	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-H+Cl"	33.962126
"277299"	347.037802	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+Cl"	34.969402
"667533"	503.072002	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+Cl"	34.969402
"1283219"	191.003602	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Cl"	34.969402
"26871"	349.017006	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M-2H+K"	36.948606
"467524"	505.051206	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M-2H+K"	36.948606
"843138"	192.982806	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-2H+K"	36.948606
"1561164"	192.982806	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+K-2H"	36.948606
"952329"	201.032394	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-H+HCOOH"	44.998194
"365440"	357.066601	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+HCOOH-H"	44.998201
"353335"	371.082251	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+Hac-H"	59.013851
"1496698"	215.048051	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Hac-H"	59.013851
"967521"	223.014351	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-H+NaCOOH"	66.980151
"115332"	191.003602	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+2Cl"	69.938804
"559269"	269.020702	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+2Cl"	69.938804
"1026973"	112.986502	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2Cl"	69.938804
"1248740"	234.953085	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Br"	78.918885
"1313377"	237.009072	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Cl+HCOOH"	80.974872
"1330874"	258.991029	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Cl+NaCOOH"	102.956829
"916464"	269.019786	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M-H+CF3COOH"	112.985586
"1293170"	304.996464	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Cl+CF3COOH"	148.962264
"1369147"	121.021524	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H-2H2O"	-35.012676
"1387741"	139.0315	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H-H2O"	-17.0027
"288521"	313.075676	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+H"	1.007276
"678395"	469.109876	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+H"	1.007276
"1355107"	157.041476	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H"	1.007276
"130182"	157.041476	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+2H"	2.014552
"566827"	235.058576	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+2H"	2.014552
"1037690"	79.024376	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2H"	2.014552
"207536"	105.030076	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+3H"	3.021828
"645275"	157.041476	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+3H"	3.021828
"1165222"	53.018676	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+3H"	3.021828
"436522"	330.102223	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+NH4"	18.033823
"792775"	486.136423	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+NH4"	18.033823
"1685825"	174.068023	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+NH4"	18.033823
"332644"	165.5547495	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+H+NH4"	19.041099
"734180"	243.5718495	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+H+NH4"	19.041099
"1484718"	87.5376495	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H+NH4"	19.041099
"400119"	335.057618	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+Na"	22.989218
"765489"	491.091818	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+Na"	22.989218
"1614679"	179.023418	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Na"	22.989218
"326906"	168.032447	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+H+Na"	23.996494
"719327"	246.049547	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+H+Na"	23.996494
"1475334"	90.015347	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H+Na"	23.996494
"1062019"	60.34599	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2H+Na"	25.00377
"1268073"	189.067686	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+CH3OH+H"	33.033486
"387740"	351.031558	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+K"	38.963158
"752018"	507.065758	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+K"	38.963158
"1554804"	194.997358	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+K"	38.963158
"312341"	176.019417	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+H+K"	39.970434
"701481"	254.036517	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+H+K"	39.970434
"1453116"	98.002317	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H+K"	39.970434
"244999"	354.102226	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+ACN+H"	42.033826
"1222447"	198.068026	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+ACN+H"	42.033826
"1197219"	99.537651	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+ACN+2H"	43.041102
"193370"	357.03956	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+2Na-H"	44.97116
"635117"	513.07376	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+2Na-H"	44.97116
"1132298"	201.00536	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2Na-H"	44.97116
"174134"	179.023418	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+2Na"	45.978436
"612962"	257.040518	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+2Na"	45.978436
"1116348"	101.006318	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2Na"	45.978436
"1400606"	67.673304	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H+2Na"	46.985712
"1437706"	203.046946	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H+HCOOH"	47.012746
"223393"	184.05644	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+3H2O+2H"	56.04448
"1512915"	217.09899	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+IsoProp+H"	61.06479
"419164"	187.010388	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+Na+K"	61.952376
"776882"	265.027488	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+Na+K"	61.952376
"1669934"	108.993288	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Na+K"	61.952376
"254632"	376.084168	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+ACN+Na"	64.015768
"1235724"	220.049968	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+ACN+Na"	64.015768
"1717320"	220.073493	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+NH4+HCOOH"	64.039293
"1181580"	75.000618	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+3Na"	68.967654
"1653294"	225.028888	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Na+HCOOH"	68.994688
"159428"	388.98744	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+2K-H"	76.91904
"599108"	545.02164	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+2K-H"	76.91904
"1087870"	232.95324	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2K-H"	76.91904
"145416"	194.997358	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"2M+2K"	77.926316
"584977"	273.014458	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"3M+2K"	77.926316
"1071677"	116.980258	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2K"	77.926316
"1102703"	234.967792	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2K+H"	78.933592
"1338000"	235.055407	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+DMSO+H"	79.021207
"1008719"	239.094576	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2ACN+H"	83.060376
"1527938"	240.088208	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+IsoProp+Na+H"	84.054008
"996572"	120.050926	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+2ACN+2H"	84.067652
"1591074"	241.002828	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+K+HCOOH"	84.968628
"1421110"	271.034338	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+H+CF3COOH"	115.000138
"1160146"	140.564201	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+3ACN+2H"	125.094202
"1710790"	288.060885	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+NH4+CF3COOH"	132.026685
"1636600"	293.01628	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+Na+CF3COOH"	136.98208
"1571642"	308.99022	"C14715"	"4-Chloro-35-dimethylphenol;Chloroxylenol"	"C8H9ClO"	"156.0342"	"M+K+CF3COOH"	152.95602
"809184"	250.1569	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M"	0
"989649"	231.13851	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"76431"	165.763990666667	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"514897"	249.149624	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"888326"	82.3783573333333	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"7994"	249.149624	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"445370"	374.228074	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"827544"	124.071174	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"86445"	499.306524	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"524911"	749.463424	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"907816"	249.149624	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"61101"	516.333071	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"495555"	766.489971	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"876637"	266.176171	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"34698"	521.288466	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"483007"	771.445366	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"854248"	271.131566	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1624874"	271.131566	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"97028"	267.137963	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"539872"	392.216413	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"935576"	142.059513	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"275223"	535.283202	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"665457"	785.440102	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1282240"	285.126302	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"21516"	537.262406	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"468731"	787.419306	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"836692"	287.105506	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1562367"	287.105506	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"954263"	295.155094	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"367374"	545.312001	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"361361"	559.327651	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1507018"	309.170751	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"970914"	317.137051	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"121643"	285.126302	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"559745"	410.204752	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1027085"	160.047852	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1246664"	329.075785	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1314581"	331.131772	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1331714"	353.113729	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"917667"	363.142486	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1292188"	399.119164	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1369258"	215.144224	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1390037"	233.1542	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"290819"	501.321076	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"677778"	751.477976	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1353031"	251.164176	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"126283"	251.164176	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"566572"	376.242626	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1037918"	126.085726	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"205817"	167.778542666667	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"644259"	251.164176	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1162883"	84.3929093333333	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"436266"	518.347623	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"798355"	768.504523	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1693592"	268.190723	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"340777"	259.6774495	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"732105"	384.7558995	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1485926"	134.5989995	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"403513"	523.303018	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"763413"	773.459918	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1612605"	273.146118	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"324829"	262.155147	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"713970"	387.233597	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1472164"	137.076697	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1063222"	91.7202233333333	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1267088"	283.190386	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"383476"	539.276958	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"748847"	789.433858	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1548711"	289.120058	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"312451"	270.142117	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"699406"	395.220567	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1455415"	145.063667	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"247298"	542.347626	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1216727"	292.190726	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1199516"	146.599001	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"189833"	545.28496	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"628741"	795.44186	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1132536"	295.12806	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"174491"	273.146118	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"615023"	398.224568	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1120354"	148.067668	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1407525"	99.0475373333333	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1437452"	297.169646	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"228243"	278.17914	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1514118"	311.22169	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"418180"	281.133088	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"780272"	406.211538	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1673324"	156.054638	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"263126"	564.329568	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1234741"	314.172668	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1718159"	314.196193	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1180598"	106.374851333333	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1654499"	319.151588	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"158080"	577.23284	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"598733"	827.38974	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1085552"	327.07594	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"145529"	289.120058	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"590556"	414.198508	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1069967"	164.041608	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1102816"	329.090492	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1342485"	329.178107	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1007124"	333.217276	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1528046"	334.210908	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"995588"	167.112276	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1591185"	335.125528	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1420125"	365.157038	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1152602"	187.625551	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1702152"	382.183585	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1639989"	387.13898	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1573087"	403.11292	"C14716"	"2-Ethylhexyl-4-hydroxybenzoate"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"816220"	316.2038	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M"	0
"988904"	297.18541	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"77029"	209.795257333333	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"513914"	315.196524	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"889531"	104.393990666667	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"13571"	315.196524	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"453133"	473.298424	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"826561"	157.094624	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"87648"	631.400324	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"526115"	947.604124	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"910845"	315.196524	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"61213"	648.426871	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"500040"	964.630671	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"875655"	332.223071	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"42463"	653.382266	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"479836"	969.586066	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"854358"	337.178466	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1623892"	337.178466	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"95318"	333.184863	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"541075"	491.286763	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"932770"	175.082963	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"275336"	667.377002	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"665567"	983.580802	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1282350"	351.173202	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"23813"	669.356206	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"463374"	985.560006	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"841178"	353.152406	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1560656"	353.152406	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"954737"	361.201994	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"372589"	677.405801	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"359390"	691.421451	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1507128"	375.217651	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"970295"	383.183951	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"120296"	351.173202	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"561680"	509.275102	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1026102"	193.071302	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1247868"	395.122685	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1311410"	397.178672	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1324532"	419.160629	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"916684"	429.189386	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1292299"	465.166064	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1369732"	281.191124	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1389054"	299.2011	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"287650"	633.414876	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"683355"	949.618676	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1354600"	317.211076	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"126393"	317.211076	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"566681"	475.312976	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1037700"	159.109176	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"204587"	211.809809333333	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"644878"	317.211076	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1162810"	106.408542666667	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"436376"	650.441423	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"797374"	966.645223	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1692609"	334.237623	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"341980"	325.7243495	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"732215"	483.8262495	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1486036"	167.6224495	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"401435"	655.396818	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"759513"	971.600618	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1607612"	339.193018	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"324939"	328.202047	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"714080"	486.303947	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1467901"	170.100147	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1060051"	113.735856666667	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1265012"	349.237286	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"383586"	671.370758	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"752240"	987.574558	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1551738"	355.166958	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"312929"	336.189017	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"697329"	494.290917	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1455524"	178.087117	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"244127"	674.441426	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1214649"	358.237626	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1199626"	179.622451	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"199058"	677.37876	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"634245"	993.58256	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1135562"	361.17496	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"173132"	339.193018	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"613107"	497.294918	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1116208"	181.091118	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1408728"	121.063170666667	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1435375"	363.216546	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"225073"	344.22604	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1514228"	377.26859	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"421208"	347.179988	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"782569"	505.281888	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1677811"	189.078088	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"261048"	696.423368	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1238132"	380.219568	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1723737"	380.243093	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1183989"	128.390484666667	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1653515"	385.198488	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"162930"	709.32664	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"598116"	1025.53044	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1085542"	393.12284	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"143455"	355.166958	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"587385"	513.268858	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1070081"	197.065058	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1105115"	395.137392	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1340409"	395.225007	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1006384"	399.264176	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1525970"	400.257808	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"992418"	200.135726	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1590202"	401.172428	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1420236"	431.203938	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1157085"	220.649001	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1706637"	448.230485	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1636820"	453.18588	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1572471"	469.15982	"C14717"	"15-Deoxy-delta-1214-PGJ2;15-Deoxy-delta-1214-prostaglandin J2;15-Deoxy-PGJ2"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"808310"	236.1412	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M"	0
"989135"	217.12281	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-H2O-H"	-19.01839
"75558"	156.420190666667	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M-3H"	-3.021828
"512931"	235.133924	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M-3H"	-3.021828
"889639"	77.7064573333333	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-3H"	-3.021828
"7121"	235.133924	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M-2H"	-2.014552
"452879"	353.204524	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M-2H"	-2.014552
"824484"	117.063324	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-2H"	-2.014552
"81561"	471.275124	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M-H"	-1.007276
"524038"	707.416324	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M-H"	-1.007276
"907307"	235.133924	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-H"	-1.007276
"58039"	488.301671	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M-2H+NH4"	16.019271
"495775"	724.442871	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M-2H+NH4"	16.019271
"872486"	252.160471	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-2H+NH4"	16.019271
"40387"	493.257066	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M-2H+Na"	20.974666
"484318"	729.398266	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M-2H+Na"	20.974666
"862121"	257.115866	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-2H+Na"	20.974666
"1624001"	257.115866	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Na-2H"	20.974666
"95064"	253.122263	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M-H+Cl"	33.962126
"541185"	371.192863	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M-H+Cl"	33.962126
"934702"	135.051663	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-H+Cl"	33.962126
"274353"	507.251802	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+Cl"	34.969402
"665677"	743.393002	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+Cl"	34.969402
"1282460"	271.110602	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Cl"	34.969402
"23923"	509.231006	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M-2H+K"	36.948606
"461297"	745.372206	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M-2H+K"	36.948606
"841288"	273.089806	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-2H+K"	36.948606
"1559309"	273.089806	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+K-2H"	36.948606
"952660"	281.139394	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-H+HCOOH"	44.998194
"371241"	517.280601	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+HCOOH-H"	44.998201
"355126"	531.296251	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+Hac-H"	59.013851
"1503957"	295.155051	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Hac-H"	59.013851
"969676"	303.121351	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-H+NaCOOH"	66.980151
"117854"	271.110602	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+2Cl"	69.938804
"560332"	389.181202	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+2Cl"	69.938804
"1026212"	153.040002	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2Cl"	69.938804
"1246885"	315.060085	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Br"	78.918885
"1311520"	317.116072	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Cl+HCOOH"	80.974872
"1324642"	339.098029	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Cl+NaCOOH"	102.956829
"915701"	349.126786	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M-H+CF3COOH"	112.985586
"1290221"	385.103464	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Cl+CF3COOH"	148.962264
"1368019"	201.128524	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H-2H2O"	-35.012676
"1389164"	219.1385	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H-H2O"	-17.0027
"289947"	473.289676	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+H"	1.007276
"680185"	709.430876	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+H"	1.007276
"1354346"	237.148476	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H"	1.007276
"127353"	237.148476	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+2H"	2.014552
"567885"	355.219076	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+2H"	2.014552
"1039111"	119.077876	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2H"	2.014552
"206038"	158.434742666667	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+3H"	3.021828
"644284"	237.148476	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+3H"	3.021828
"1162990"	79.7210093333333	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+3H"	3.021828
"436122"	490.316223	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+NH4"	18.033823
"797485"	726.457423	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+NH4"	18.033823
"1693813"	254.175023	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+NH4"	18.033823
"342090"	245.6617495	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+H+NH4"	19.041099
"733418"	363.7323495	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+H+NH4"	19.041099
"1487239"	127.5911495	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H+NH4"	19.041099
"402638"	495.271618	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+Na"	22.989218
"762539"	731.412818	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+Na"	22.989218
"1609545"	259.130418	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Na"	22.989218
"326143"	248.139447	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+H+Na"	23.996494
"713097"	366.210047	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+H+Na"	23.996494
"1471290"	130.068847	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H+Na"	23.996494
"1061255"	87.0483233333333	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2H+Na"	25.00377
"1265121"	269.174686	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+CH3OH+H"	33.033486
"382603"	511.245558	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+K"	38.963158
"752350"	747.386758	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+K"	38.963158
"1550026"	275.104358	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+K"	38.963158
"313648"	256.126417	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+H+K"	39.970434
"700720"	374.197017	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+H+K"	39.970434
"1453447"	138.055817	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H+K"	39.970434
"240956"	514.316226	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+ACN+H"	42.033826
"1214759"	278.175026	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+ACN+H"	42.033826
"1199736"	139.591151	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+ACN+2H"	43.041102
"198074"	517.25356	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+2Na-H"	44.97116
"636541"	753.39476	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+2Na-H"	44.97116
"1135672"	281.11236	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2Na-H"	44.97116
"174589"	259.130418	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+2Na"	45.978436
"613093"	377.201018	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+2Na"	45.978436
"1116074"	141.059818	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2Na"	45.978436
"1406652"	94.3756373333333	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H+2Na"	46.985712
"1437672"	283.153946	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H+HCOOH"	47.012746
"228463"	264.16344	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+3H2O+2H"	56.04448
"1514702"	297.20599	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+IsoProp+H"	61.06479
"417307"	267.117388	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+Na+K"	61.952376
"784261"	385.187988	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+Na+K"	61.952376
"1677921"	149.046788	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Na+K"	61.952376
"263344"	536.298168	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+ACN+Na"	64.015768
"1234961"	300.156968	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+ACN+Na"	64.015768
"1726763"	300.180493	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+NH4+HCOOH"	64.039293
"1184828"	101.702951333333	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+3Na"	68.967654
"1656906"	305.135888	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Na+HCOOH"	68.994688
"163769"	549.20144	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+2K-H"	76.91904
"597861"	785.34264	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+2K-H"	76.91904
"1085653"	313.06024	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2K-H"	76.91904
"142834"	275.104358	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"2M+2K"	77.926316
"587495"	393.174958	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"3M+2K"	77.926316
"1069827"	157.033758	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2K"	77.926316
"1101944"	315.074792	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2K+H"	78.933592
"1337602"	315.162407	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+DMSO+H"	79.021207
"1006007"	319.201576	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2ACN+H"	83.060376
"1526080"	320.195208	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+IsoProp+Na+H"	84.054008
"992528"	160.104426	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+2ACN+2H"	84.067652
"1590312"	321.109828	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+K+HCOOH"	84.968628
"1418159"	351.141338	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+H+CF3COOH"	115.000138
"1153915"	180.617701	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+3ACN+2H"	125.094202
"1703467"	368.167885	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+NH4+CF3COOH"	132.026685
"1636200"	373.12328	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+Na+CF3COOH"	136.98208
"1573674"	389.09722	"C14718"	"Heptyl p-hydroxybenzoate;Heptylparaben"	"C14H20O3"	"236.1412"	"M+K+CF3COOH"	152.95602
"808420"	272.1412	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M"	0
"989124"	253.12281	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H2O-H"	-19.01839
"77857"	180.420190666667	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-3H"	-3.021828
"518487"	271.133924	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-3H"	-3.021828
"895601"	89.7064573333333	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-3H"	-3.021828
"14644"	271.133924	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H"	-2.014552
"454935"	407.204524	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H"	-2.014552
"825688"	135.063324	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H"	-2.014552
"91149"	543.275124	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-H"	-1.007276
"530709"	815.416324	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-H"	-1.007276
"908876"	271.133924	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H"	-1.007276
"61189"	560.301671	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+NH4"	16.019271
"499168"	832.442871	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+NH4"	16.019271
"875876"	288.160471	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+NH4"	16.019271
"42683"	565.257066	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+Na"	20.974666
"483336"	837.398266	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+Na"	20.974666
"862961"	293.115866	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+Na"	20.974666
"1630673"	293.115866	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na-2H"	20.974666
"95539"	289.122263	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-H+Cl"	33.962126
"538014"	425.192863	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-H+Cl"	33.962126
"935906"	153.051663	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+Cl"	33.962126
"276649"	579.251802	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Cl"	34.969402
"665790"	851.393002	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Cl"	34.969402
"1284757"	307.110602	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl"	34.969402
"22943"	581.231006	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+K"	36.948606
"465784"	853.372206	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+K"	36.948606
"842491"	309.089806	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+K"	36.948606
"1561607"	309.089806	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K-2H"	36.948606
"951677"	317.139394	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+HCOOH"	44.998194
"372809"	589.280601	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+HCOOH-H"	44.998201
"356695"	603.296251	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Hac-H"	59.013851
"1505162"	331.155051	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Hac-H"	59.013851
"969421"	339.121351	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+NaCOOH"	66.980151
"119058"	307.110602	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Cl"	69.938804
"557525"	443.181202	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Cl"	69.938804
"1029603"	171.040002	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Cl"	69.938804
"1247355"	351.060085	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Br"	78.918885
"1313082"	353.116072	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+HCOOH"	80.974872
"1324752"	375.098029	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+NaCOOH"	102.956829
"919091"	385.126786	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+CF3COOH"	112.985586
"1292515"	421.103464	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+CF3COOH"	148.962264
"1369586"	237.128524	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H-2H2O"	-35.012676
"1390368"	255.1385	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H-H2O"	-17.0027
"288962"	545.289676	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H"	1.007276
"683575"	817.430876	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H"	1.007276
"1354455"	273.148476	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H"	1.007276
"126248"	273.148476	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2H"	2.014552
"567995"	409.219076	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2H"	2.014552
"1038128"	137.077876	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2H"	2.014552
"204567"	182.434742666667	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+3H"	3.021828
"644393"	273.148476	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+3H"	3.021828
"1162900"	91.7210093333334	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3H"	3.021828
"436596"	562.316223	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+NH4"	18.033823
"798686"	834.457423	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+NH4"	18.033823
"1693924"	290.175023	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4"	18.033823
"342200"	281.6617495	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+NH4"	19.041099
"733528"	417.7323495	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+NH4"	19.041099
"1489535"	145.5911495	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+NH4"	19.041099
"403841"	567.271618	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Na"	22.989218
"763742"	839.412818	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Na"	22.989218
"1612935"	295.130418	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na"	22.989218
"326982"	284.139447	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+Na"	23.996494
"717580"	420.210047	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+Na"	23.996494
"1470308"	148.068847	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+Na"	23.996494
"1061365"	99.0483233333333	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2H+Na"	25.00377
"1269607"	305.174686	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+CH3OH+H"	33.033486
"387087"	583.245558	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+K"	38.963158
"752459"	855.386758	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+K"	38.963158
"1553418"	311.104358	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K"	38.963158
"312790"	292.126417	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+K"	39.970434
"700830"	428.197017	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+K"	39.970434
"1455743"	156.055817	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+K"	39.970434
"243252"	586.316226	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+ACN+H"	42.033826
"1214868"	314.175026	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+H"	42.033826
"1199845"	157.591151	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+2H"	43.041102
"198182"	589.25356	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Na-H"	44.97116
"631185"	861.39476	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Na-H"	44.97116
"1131768"	317.11236	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Na-H"	44.97116
"172949"	295.130418	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Na"	45.978436
"613771"	431.201018	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Na"	45.978436
"1116428"	159.059818	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Na"	45.978436
"1408584"	106.375637333333	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+2Na"	46.985712
"1439969"	319.153946	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+HCOOH"	47.012746
"228573"	300.16344	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+3H2O+2H"	56.04448
"1514448"	333.20599	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+H"	61.06479
"421064"	303.117388	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Na+K"	61.952376
"780602"	439.187988	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Na+K"	61.952376
"1679124"	167.046788	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+K"	61.952376
"263456"	608.298168	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+ACN+Na"	64.015768
"1239447"	336.156968	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+Na"	64.015768
"1719584"	336.180493	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4+HCOOH"	64.039293
"1184938"	113.702951333333	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3Na"	68.967654
"1653737"	341.135888	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+HCOOH"	68.994688
"160964"	621.20144	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2K-H"	76.91904
"597607"	893.34264	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2K-H"	76.91904
"1087952"	349.06024	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K-H"	76.91904
"142095"	311.104358	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2K"	77.926316
"583236"	447.174958	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2K"	77.926316
"1069937"	175.033758	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K"	77.926316
"1100473"	351.074792	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K+H"	78.933592
"1338077"	351.162407	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+DMSO+H"	79.021207
"1007336"	355.201576	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2ACN+H"	83.060376
"1528378"	356.195208	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+Na+H"	84.054008
"998108"	178.104426	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2ACN+2H"	84.067652
"1595892"	357.109828	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K+HCOOH"	84.968628
"1427019"	387.141338	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+CF3COOH"	115.000138
"1157307"	198.617701	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3ACN+2H"	125.094202
"1704672"	404.167885	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4+CF3COOH"	132.026685
"1638134"	409.12328	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+CF3COOH"	136.98208
"1572692"	425.09722	"C14719"	"Methallenestrilphenol;N-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;alphaalpha-Dimethyl-beta-ethylallenolic acid;beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K+CF3COOH"	152.95602
"808529"	296.1049	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M"	0
"984250"	277.08651	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-H2O-H"	-19.01839
"77929"	196.395990666667	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M-3H"	-3.021828
"515703"	295.097624	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M-3H"	-3.021828
"889858"	97.6943573333333	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-3H"	-3.021828
"7340"	295.097624	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M-2H"	-2.014552
"453463"	443.150074	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M-2H"	-2.014552
"827985"	147.045174	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-2H"	-2.014552
"92355"	591.202524	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M-H"	-1.007276
"532281"	887.307424	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M-H"	-1.007276
"908259"	295.097624	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-H"	-1.007276
"60447"	608.229071	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M-2H+NH4"	16.019271
"500007"	904.333971	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M-2H+NH4"	16.019271
"877809"	312.124171	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-2H+NH4"	16.019271
"41701"	613.184466	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M-2H+Na"	20.974666
"480167"	909.289366	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M-2H+Na"	20.974666
"861251"	317.079566	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-2H+Na"	20.974666
"1629692"	317.079566	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Na-2H"	20.974666
"97471"	313.085963	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M-H+Cl"	33.962126
"539217"	461.138413	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M-H+Cl"	33.962126
"931640"	165.033513	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-H+Cl"	33.962126
"276759"	627.179202	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+Cl"	34.969402
"665900"	923.284102	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+Cl"	34.969402
"1283774"	331.074302	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Cl"	34.969402
"20866"	629.158406	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M-2H+K"	36.948606
"462614"	925.263306	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M-2H+K"	36.948606
"836041"	333.053506	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-2H+K"	36.948606
"1561717"	333.053506	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+K-2H"	36.948606
"948507"	341.103094	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-H+HCOOH"	44.998194
"367816"	637.208001	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+HCOOH-H"	44.998201
"354980"	651.223651	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+Hac-H"	59.013851
"1501624"	355.118751	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Hac-H"	59.013851
"964792"	363.085051	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-H+NaCOOH"	66.980151
"111876"	331.074302	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+2Cl"	69.938804
"551194"	479.126752	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+2Cl"	69.938804
"1024244"	183.021852	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2Cl"	69.938804
"1247099"	375.023785	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Br"	78.918885
"1312826"	377.079772	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Cl+HCOOH"	80.974872
"1329231"	399.061729	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Cl+NaCOOH"	102.956829
"914461"	409.090486	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M-H+CF3COOH"	112.985586
"1292989"	445.067164	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Cl+CF3COOH"	148.962264
"1368602"	261.092224	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H-2H2O"	-35.012676
"1390478"	279.1022	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H-H2O"	-17.0027
"289072"	593.217076	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+H"	1.007276
"682592"	889.321976	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+H"	1.007276
"1353837"	297.112176	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H"	1.007276
"126359"	297.112176	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+2H"	2.014552
"568469"	445.164626	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+2H"	2.014552
"1037140"	149.059726	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2H"	2.014552
"204677"	198.410542666667	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+3H"	3.021828
"644399"	297.112176	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+3H"	3.021828
"1163094"	99.7089093333333	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+3H"	3.021828
"436707"	610.243623	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+NH4"	18.033823
"797703"	906.348523	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+NH4"	18.033823
"1695127"	314.138723	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+NH4"	18.033823
"340124"	305.6254495	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+H+NH4"	19.041099
"733638"	453.6778995	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+H+NH4"	19.041099
"1489645"	157.5729995	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H+NH4"	19.041099
"403951"	615.199018	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+Na"	22.989218
"763852"	911.303918	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+Na"	22.989218
"1614138"	319.094118	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Na"	22.989218
"325269"	308.103147	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+H+Na"	23.996494
"722431"	456.155597	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+H+Na"	23.996494
"1471512"	160.050697	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H+Na"	23.996494
"1064756"	107.036223333333	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2H+Na"	25.00377
"1271540"	329.138386	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+CH3OH+H"	33.033486
"388291"	631.172958	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+K"	38.963158
"752205"	927.277858	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+K"	38.963158
"1555309"	335.068058	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+K"	38.963158
"313950"	316.090117	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+H+K"	39.970434
"704949"	464.142567	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+H+K"	39.970434
"1459133"	168.037667	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H+K"	39.970434
"244456"	634.243626	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+ACN+H"	42.033826
"1213886"	338.138726	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+ACN+H"	42.033826
"1199955"	169.573001	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+ACN+2H"	43.041102
"191733"	637.18096	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+2Na-H"	44.97116
"631295"	933.28586	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+2Na-H"	44.97116
"1133340"	341.07606	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2Na-H"	44.97116
"174321"	319.094118	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+2Na"	45.978436
"613186"	467.146568	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+2Na"	45.978436
"1118241"	171.041668	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2Na"	45.978436
"1402494"	114.363537333333	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H+2Na"	46.985712
"1437892"	343.117646	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H+HCOOH"	47.012746
"229776"	324.12714	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+3H2O+2H"	56.04448
"1514558"	357.16969	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+IsoProp+H"	61.06479
"423610"	327.081088	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+Na+K"	61.952376
"783630"	475.133538	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+Na+K"	61.952376
"1679478"	179.028638	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Na+K"	61.952376
"265752"	656.225568	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+ACN+Na"	64.015768
"1238463"	360.120668	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+ACN+Na"	64.015768
"1725161"	360.144193	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+NH4+HCOOH"	64.039293
"1184319"	121.690851333333	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+3Na"	68.967654
"1656399"	365.099588	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Na+HCOOH"	68.994688
"159252"	669.12884	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+2K-H"	76.91904
"600268"	965.23374	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+2K-H"	76.91904
"1085875"	373.02394	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2K-H"	76.91904
"142329"	335.068058	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"2M+2K"	77.926316
"582249"	483.120508	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"3M+2K"	77.926316
"1069196"	187.015608	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2K"	77.926316
"1100095"	375.038492	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2K+H"	78.933592
"1338918"	375.126107	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+DMSO+H"	79.021207
"1007569"	379.165276	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2ACN+H"	83.060376
"1527396"	380.158908	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+IsoProp+Na+H"	84.054008
"1001135"	190.086276	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+2ACN+2H"	84.067652
"1596002"	381.073528	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+K+HCOOH"	84.968628
"1423850"	411.105038	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+H+CF3COOH"	115.000138
"1159604"	210.599551	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+3ACN+2H"	125.094202
"1704782"	428.131585	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+NH4+CF3COOH"	132.026685
"1637151"	433.08698	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+Na+CF3COOH"	136.98208
"1572802"	449.06092	"C14720"	"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin"	"C18H16O4"	"296.1049"	"M+K+CF3COOH"	152.95602
"808639"	639.3043	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M"	0
"989715"	620.28591	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-H2O-H"	-19.01839
"74795"	425.195590666667	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M-3H"	-3.021828
"514355"	638.297024	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M-3H"	-3.021828
"886688"	212.094157333333	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-3H"	-3.021828
"7451"	638.297024	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M-2H"	-2.014552
"453939"	957.949174	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M-2H"	-2.014552
"829555"	318.644874	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-2H"	-2.014552
"93684"	1277.601324	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M-H"	-1.007276
"532387"	1916.905624	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M-H"	-1.007276
"910926"	638.297024	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-H"	-1.007276
"61775"	1294.627871	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M-2H+NH4"	16.019271
"500117"	1933.932171	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M-2H+NH4"	16.019271
"878165"	655.323571	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-2H+NH4"	16.019271
"42905"	1299.583266	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M-2H+Na"	20.974666
"485380"	1938.887566	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M-2H+Na"	20.974666
"862457"	660.278966	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-2H+Na"	20.974666
"1631989"	660.278966	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Na-2H"	20.974666
"107059"	656.285363	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M-H+Cl"	33.962126
"541515"	975.937513	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M-H+Cl"	33.962126
"936121"	336.633213	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-H+Cl"	33.962126
"271033"	1313.578002	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+Cl"	34.969402
"666011"	1952.882302	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+Cl"	34.969402
"1282791"	674.273702	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Cl"	34.969402
"22070"	1315.557206	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M-2H+K"	36.948606
"466004"	1954.861506	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M-2H+K"	36.948606
"837245"	676.252906	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-2H+K"	36.948606
"1561827"	676.252906	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+K-2H"	36.948606
"948617"	684.302494	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-H+HCOOH"	44.998194
"370113"	1323.606801	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+HCOOH-H"	44.998201
"355091"	1337.622451	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+Hac-H"	59.013851
"1501734"	698.318151	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Hac-H"	59.013851
"964902"	706.284451	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-H+NaCOOH"	66.980151
"119278"	674.273702	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+2Cl"	69.938804
"554463"	993.925852	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+2Cl"	69.938804
"1028730"	354.621552	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2Cl"	69.938804
"1243932"	718.223185	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Br"	78.918885
"1307109"	720.279172	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Cl+HCOOH"	80.974872
"1326063"	742.261129	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Cl+NaCOOH"	102.956829
"919311"	752.289886	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M-H+CF3COOH"	112.985586
"1292738"	788.266564	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Cl+CF3COOH"	148.962264
"1369078"	604.291624	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H-2H2O"	-35.012676
"1389495"	622.3016	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H-H2O"	-17.0027
"291369"	1279.615876	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+H"	1.007276
"680514"	1918.920176	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+H"	1.007276
"1352245"	640.311576	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H"	1.007276
"126955"	640.311576	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+2H"	2.014552
"567486"	959.963726	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+2H"	2.014552
"1038103"	320.659426	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2H"	2.014552
"205152"	427.210142666667	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+3H"	3.021828
"644631"	640.311576	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+3H"	3.021828
"1162960"	214.108709333333	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+3H"	3.021828
"438276"	1296.642423	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+NH4"	18.033823
"799636"	1935.946723	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+NH4"	18.033823
"1695238"	657.338123	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+NH4"	18.033823
"340234"	648.8248495	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+H+NH4"	19.041099
"733748"	968.4769995	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+H+NH4"	19.041099
"1489755"	329.1726995	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H+NH4"	19.041099
"405155"	1301.597818	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+Na"	22.989218
"766150"	1940.902118	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+Na"	22.989218
"1614248"	662.293518	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Na"	22.989218
"328660"	651.302547	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+H+Na"	23.996494
"721571"	970.954697	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+H+Na"	23.996494
"1475632"	331.650397	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H+Na"	23.996494
"1067661"	221.436023333333	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2H+Na"	25.00377
"1271285"	672.337786	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+CH3OH+H"	33.033486
"387311"	1317.571758	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+K"	38.963158
"749401"	1956.876058	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+K"	38.963158
"1549269"	678.267458	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+K"	38.963158
"308631"	659.289517	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+H+K"	39.970434
"701049"	978.941667	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+H+K"	39.970434
"1454869"	339.637367	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H+K"	39.970434
"237275"	1320.642426	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+ACN+H"	42.033826
"1210468"	681.338126	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+ACN+H"	42.033826
"1196419"	341.172701	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+ACN+2H"	43.041102
"189776"	1323.57976	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+2Na-H"	44.97116
"630065"	1962.88406	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+2Na-H"	44.97116
"1133450"	684.27546	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2Na-H"	44.97116
"174431"	662.293518	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+2Na"	45.978436
"618127"	981.945668	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+2Na"	45.978436
"1123456"	342.641368	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2Na"	45.978436
"1403698"	228.763337333333	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H+2Na"	46.985712
"1435816"	686.317046	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H+HCOOH"	47.012746
"227699"	667.32654	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+3H2O+2H"	56.04448
"1515761"	700.36909	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+IsoProp+H"	61.06479
"422381"	670.280488	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+Na+K"	61.952376
"781919"	989.932638	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+Na+K"	61.952376
"1678252"	350.628338	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Na+K"	61.952376
"263678"	1342.624368	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+ACN+Na"	64.015768
"1235294"	703.320068	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+ACN+Na"	64.015768
"1726001"	703.343593	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+NH4+HCOOH"	64.039293
"1184430"	236.090651333333	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+3Na"	68.967654
"1656510"	708.298988	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Na+HCOOH"	68.994688
"162278"	1355.52764	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+2K-H"	76.91904
"601473"	1994.83194	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+2K-H"	76.91904
"1088538"	716.22334	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2K-H"	76.91904
"142193"	678.267458	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"2M+2K"	77.926316
"582361"	997.919608	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"3M+2K"	77.926316
"1075627"	358.615308	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2K"	77.926316
"1101544"	718.237892	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2K+H"	78.933592
"1338664"	718.325507	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+DMSO+H"	79.021207
"1009380"	722.364676	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2ACN+H"	83.060376
"1535526"	723.358308	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+IsoProp+Na+H"	84.054008
"999423"	361.685976	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+2ACN+2H"	84.067652
"1600851"	724.272928	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+K+HCOOH"	84.968628
"1426876"	754.304438	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+H+CF3COOH"	115.000138
"1160807"	382.199251	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+3ACN+2H"	125.094202
"1710359"	771.330985	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+NH4+CF3COOH"	132.026685
"1640542"	776.28638	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+Na+CF3COOH"	136.98208
"1575099"	792.26032	"C14721"	"34a-Deoxy-rifamycin W"	"C35H45NO10"	"639.3043"	"M+K+CF3COOH"	152.95602
"808749"	653.2836	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M"	0
"987752"	634.26521	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-H2O-H"	-19.01839
"75998"	434.515124	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M-3H"	-3.021828
"514465"	652.276324	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M-3H"	-3.021828
"890078"	216.753924	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-3H"	-3.021828
"7561"	652.276324	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M-2H"	-2.014552
"452956"	978.918124	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M-2H"	-2.014552
"829298"	325.634524	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-2H"	-2.014552
"92940"	1305.559924	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M-H"	-1.007276
"528852"	1958.843524	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M-H"	-1.007276
"911120"	652.276324	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-H"	-1.007276
"59208"	1322.586471	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M-2H+NH4"	16.019271
"501320"	1975.870071	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M-2H+NH4"	16.019271
"878032"	669.302871	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-2H+NH4"	16.019271
"43015"	1327.541866	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M-2H+Na"	20.974666
"484761"	1980.825466	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M-2H+Na"	20.974666
"863418"	674.258266	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-2H+Na"	20.974666
"1633722"	674.258266	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Na-2H"	20.974666
"109482"	670.264663	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M-H+Cl"	33.962126
"544905"	996.906463	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M-H+Cl"	33.962126
"937325"	343.622863	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-H+Cl"	33.962126
"272602"	1341.536602	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+Cl"	34.969402
"668307"	1994.820202	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+Cl"	34.969402
"1280713"	688.253002	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Cl"	34.969402
"24366"	1343.515806	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M-2H+K"	36.948606
"466114"	1996.799406	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M-2H+K"	36.948606
"837354"	690.232206	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-2H+K"	36.948606
"1561937"	690.232206	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+K-2H"	36.948606
"948727"	698.281794	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-H+HCOOH"	44.998194
"364756"	1351.565401	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+HCOOH-H"	44.998201
"351920"	1365.581051	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+Hac-H"	59.013851
"1498564"	712.297451	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Hac-H"	59.013851
"965012"	720.263751	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-H+NaCOOH"	66.980151
"120480"	688.253002	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+2Cl"	69.938804
"554573"	1014.894802	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+2Cl"	69.938804
"1023373"	361.611202	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2Cl"	69.938804
"1242582"	732.202485	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Br"	78.918885
"1305762"	734.258472	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Cl+HCOOH"	80.974872
"1325080"	756.240429	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Cl+NaCOOH"	102.956829
"916141"	766.269186	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M-H+CF3COOH"	112.985586
"1290054"	802.245864	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Cl+CF3COOH"	148.962264
"1367365"	618.270924	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H-2H2O"	-35.012676
"1389605"	636.2809	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H-H2O"	-17.0027
"290386"	1307.574476	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+H"	1.007276
"678801"	1960.858076	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+H"	1.007276
"1352963"	654.290876	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H"	1.007276
"128765"	654.290876	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+2H"	2.014552
"566013"	980.932676	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+2H"	2.014552
"1037725"	327.649076	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2H"	2.014552
"204778"	436.529676	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+3H"	3.021828
"644581"	654.290876	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+3H"	3.021828
"1162948"	218.768476	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+3H"	3.021828
"434738"	1324.601023	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+NH4"	18.033823
"800718"	1977.884623	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+NH4"	18.033823
"1696440"	671.317423	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+NH4"	18.033823
"341437"	662.8041495	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+H+NH4"	19.041099
"732765"	989.4459495	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+H+NH4"	19.041099
"1487678"	336.1623495	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H+NH4"	19.041099
"403078"	1329.556418	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+Na"	22.989218
"765167"	1982.840018	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+Na"	22.989218
"1616424"	676.272818	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Na"	22.989218
"325490"	665.281847	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+H+Na"	23.996494
"719979"	991.923647	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+H+Na"	23.996494
"1474892"	338.640047	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H+Na"	23.996494
"1067529"	226.09579	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2H+Na"	25.00377
"1268844"	686.317086	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+CH3OH+H"	33.033486
"388514"	1345.530358	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+K"	38.963158
"747324"	1998.813958	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+K"	38.963158
"1548285"	692.246758	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+K"	38.963158
"307648"	673.268817	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+H+K"	39.970434
"701161"	999.910617	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+H+K"	39.970434
"1456073"	346.627017	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H+K"	39.970434
"239572"	1348.601026	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+ACN+H"	42.033826
"1211550"	695.317426	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+ACN+H"	42.033826
"1197257"	348.162351	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+ACN+2H"	43.041102
"189763"	1351.53836	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+2Na-H"	44.97116
"630053"	2004.82196	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+2Na-H"	44.97116
"1134289"	698.25476	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2Na-H"	44.97116
"173012"	676.272818	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+2Na"	45.978436
"616776"	1002.914618	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+2Na"	45.978436
"1121741"	349.631018	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2Na"	45.978436
"1405996"	233.423104	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H+2Na"	46.985712
"1433736"	700.296346	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H+HCOOH"	47.012746
"227809"	681.30584	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+3H2O+2H"	56.04448
"1513319"	714.34839	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+IsoProp+H"	61.06479
"423219"	684.259788	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+Na+K"	61.952376
"784216"	1010.901588	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+Na+K"	61.952376
"1680549"	357.617988	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Na+K"	61.952376
"263788"	1370.582968	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+ACN+Na"	64.015768
"1236496"	717.299368	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+ACN+Na"	64.015768
"1726475"	717.322893	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+NH4+HCOOH"	64.039293
"1184176"	240.750418	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+3Na"	68.967654
"1656256"	722.278288	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Na+HCOOH"	68.994688
"162388"	1383.48624	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+2K-H"	76.91904
"601947"	2036.76984	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+2K-H"	76.91904
"1087554"	730.20264	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2K-H"	76.91904
"149474"	692.246758	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"2M+2K"	77.926316
"587941"	1018.888558	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"3M+2K"	77.926316
"1069294"	365.604958	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2K"	77.926316
"1100919"	732.217192	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2K+H"	78.933592
"1338774"	732.304807	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+DMSO+H"	79.021207
"1010583"	736.343976	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2ACN+H"	83.060376
"1530897"	737.337608	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+IsoProp+Na+H"	84.054008
"996253"	368.675626	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+2ACN+2H"	84.067652
"1599503"	738.252228	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+K+HCOOH"	84.968628
"1426256"	768.283738	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+H+CF3COOH"	115.000138
"1159824"	389.188901	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+3ACN+2H"	125.094202
"1709374"	785.310285	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+NH4+CF3COOH"	132.026685
"1638466"	790.26568	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+Na+CF3COOH"	136.98208
"1573021"	806.23962	"C14722"	"Rifamycin W-hemiacetal"	"C35H43NO11"	"653.2836"	"M+K+CF3COOH"	152.95602
"808859"	651.268	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M"	0
"987862"	632.24961	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-H2O-H"	-19.01839
"76473"	433.171390666667	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M-3H"	-3.021828
"513482"	650.260724	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M-3H"	-3.021828
"890189"	216.082057333333	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-3H"	-3.021828
"7671"	650.260724	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M-2H"	-2.014552
"454159"	975.894724	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M-2H"	-2.014552
"828680"	324.626724	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-2H"	-2.014552
"93539"	1301.528724	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M-H"	-1.007276
"532974"	1952.796724	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M-H"	-1.007276
"911145"	650.260724	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-H"	-1.007276
"60411"	1318.555271	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M-2H+NH4"	16.019271
"501555"	1969.823271	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M-2H+NH4"	16.019271
"878750"	667.287271	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-2H+NH4"	16.019271
"42032"	1323.510666	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M-2H+Na"	20.974666
"482684"	1974.778666	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M-2H+Na"	20.974666
"860486"	672.242666	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-2H+Na"	20.974666
"1633303"	672.242666	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Na-2H"	20.974666
"108983"	668.249063	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M-H+Cl"	33.962126
"547568"	993.883063	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M-H+Cl"	33.962126
"937435"	342.615063	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-H+Cl"	33.962126
"271982"	1337.505402	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+Cl"	34.969402
"667324"	1988.773402	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+Cl"	34.969402
"1280823"	686.237402	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Cl"	34.969402
"23383"	1339.484606	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M-2H+K"	36.948606
"466224"	1990.752606	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M-2H+K"	36.948606
"837464"	688.216606	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-2H+K"	36.948606
"1562047"	688.216606	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+K-2H"	36.948606
"949930"	696.266194	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-H+HCOOH"	44.998194
"367052"	1347.534201	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+HCOOH-H"	44.998201
"352030"	1361.549851	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+Hac-H"	59.013851
"1499767"	710.281851	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Hac-H"	59.013851
"965122"	718.248151	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-H+NaCOOH"	66.980151
"117310"	686.237402	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+2Cl"	69.938804
"554683"	1011.871402	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+2Cl"	69.938804
"1022389"	360.603402	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2Cl"	69.938804
"1242328"	730.186885	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Br"	78.918885
"1304778"	732.242872	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Cl+HCOOH"	80.974872
"1324097"	754.224829	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Cl+NaCOOH"	102.956829
"915157"	764.253586	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M-H+CF3COOH"	112.985586
"1295140"	800.230264	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Cl+CF3COOH"	148.962264
"1368568"	616.255324	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H-2H2O"	-35.012676
"1384605"	634.2653	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H-H2O"	-17.0027
"287216"	1303.543276	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+H"	1.007276
"676845"	1954.811276	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+H"	1.007276
"1351856"	652.275276	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H"	1.007276
"128145"	652.275276	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+2H"	2.014552
"565688"	977.909276	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+2H"	2.014552
"1037471"	326.641276	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2H"	2.014552
"204429"	435.185942666667	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+3H"	3.021828
"644692"	652.275276	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+3H"	3.021828
"1163420"	218.096609333333	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+3H"	3.021828
"428286"	1320.569823	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+NH4"	18.033823
"799126"	1971.837823	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+NH4"	18.033823
"1696186"	669.301823	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+NH4"	18.033823
"341547"	660.7885495	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+H+NH4"	19.041099
"733968"	986.4225495	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+H+NH4"	19.041099
"1489975"	335.1545495	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H+NH4"	19.041099
"401002"	1325.525218	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+Na"	22.989218
"763090"	1976.793218	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+Na"	22.989218
"1613375"	674.257218	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Na"	22.989218
"327059"	663.266247	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+H+Na"	23.996494
"719116"	988.900247	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+H+Na"	23.996494
"1476340"	337.632247	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H+Na"	23.996494
"1066182"	225.423923333333	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2H+Na"	25.00377
"1268588"	684.301486	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+CH3OH+H"	33.033486
"391175"	1341.499158	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+K"	38.963158
"748528"	1992.767158	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+K"	38.963158
"1549487"	690.231158	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+K"	38.963158
"307758"	671.253217	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+H+K"	39.970434
"703457"	996.887217	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+H+K"	39.970434
"1453997"	345.619217	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H+K"	39.970434
"238589"	1344.569826	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+ACN+H"	42.033826
"1212392"	693.301826	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+ACN+H"	42.033826
"1197367"	347.154551	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+ACN+2H"	43.041102
"192061"	1347.50716	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+2Na-H"	44.97116
"630041"	1998.77516	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+2Na-H"	44.97116
"1134035"	696.23916	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2Na-H"	44.97116
"173222"	674.257218	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+2Na"	45.978436
"613044"	999.891218	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+2Na"	45.978436
"1120758"	348.623218	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2Na"	45.978436
"1399906"	232.751237333333	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H+2Na"	46.985712
"1433118"	698.280746	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H+HCOOH"	47.012746
"227919"	679.29024	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+3H2O+2H"	56.04448
"1513064"	712.33279	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+IsoProp+H"	61.06479
"421506"	682.244188	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+Na+K"	61.952376
"782140"	1007.878188	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+Na+K"	61.952376
"1677378"	356.610188	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Na+K"	61.952376
"261712"	1366.551768	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+ACN+Na"	64.015768
"1235512"	715.283768	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+ACN+Na"	64.015768
"1723304"	715.307293	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+NH4+HCOOH"	64.039293
"1182098"	240.078551333333	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+3Na"	68.967654
"1658549"	720.262688	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Na+HCOOH"	68.994688
"162498"	1379.45504	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+2K-H"	76.91904
"601694"	2030.72304	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+2K-H"	76.91904
"1085841"	728.18704	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2K-H"	76.91904
"147396"	690.231158	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"2M+2K"	77.926316
"584770"	1015.865158	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"3M+2K"	77.926316
"1076940"	364.597158	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2K"	77.926316
"1100181"	730.201592	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2K+H"	78.933592
"1338884"	730.289207	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+DMSO+H"	79.021207
"1012880"	734.328376	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2ACN+H"	83.060376
"1534653"	735.322008	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+IsoProp+Na+H"	84.054008
"996363"	367.667826	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+2ACN+2H"	84.067652
"1600342"	736.236628	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+K+HCOOH"	84.968628
"1426366"	766.268138	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+H+CF3COOH"	115.000138
"1159934"	388.181101	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+3ACN+2H"	125.094202
"1710578"	783.294685	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+NH4+CF3COOH"	132.026685
"1640763"	788.25008	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+Na+CF3COOH"	136.98208
"1572039"	804.22402	"C14723"	"Rifamycin Z"	"C35H41NO11"	"651.268"	"M+K+CF3COOH"	152.95602
"808969"	639.268	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M"	0
"989196"	620.24961	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-H2O-H"	-19.01839
"78043"	425.171390666667	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M-3H"	-3.021828
"517967"	638.260724	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M-3H"	-3.021828
"894199"	212.082057333333	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-3H"	-3.021828
"14962"	638.260724	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M-2H"	-2.014552
"455250"	957.894724	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M-2H"	-2.014552
"832563"	318.626724	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-2H"	-2.014552
"92795"	1277.528724	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M-H"	-1.007276
"534047"	1916.796724	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M-H"	-1.007276
"908333"	638.260724	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-H"	-1.007276
"62225"	1294.555271	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M-2H+NH4"	16.019271
"501665"	1933.823271	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M-2H+NH4"	16.019271
"878981"	655.287271	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-2H+NH4"	16.019271
"46278"	1299.510666	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M-2H+Na"	20.974666
"485595"	1938.778666	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M-2H+Na"	20.974666
"862546"	660.242666	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-2H+Na"	20.974666
"1631956"	660.242666	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Na-2H"	20.974666
"107393"	656.249063	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M-H+Cl"	33.962126
"549385"	975.883063	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M-H+Cl"	33.962126
"934268"	336.615063	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-H+Cl"	33.962126
"276107"	1313.505402	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+Cl"	34.969402
"667066"	1952.773402	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+Cl"	34.969402
"1284214"	674.237402	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Cl"	34.969402
"23495"	1315.484606	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M-2H+K"	36.948606
"468157"	1954.752606	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M-2H+K"	36.948606
"844134"	676.216606	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-2H+K"	36.948606
"1567625"	676.216606	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+K-2H"	36.948606
"952229"	684.266194	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-H+HCOOH"	44.998194
"366070"	1323.534201	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+HCOOH-H"	44.998201
"351043"	1337.549851	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+Hac-H"	59.013851
"1498785"	698.281851	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Hac-H"	59.013851
"963044"	706.248151	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-H+NaCOOH"	66.980151
"115231"	674.237402	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+2Cl"	69.938804
"554793"	993.871402	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+2Cl"	69.938804
"1033069"	354.603402	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2Cl"	69.938804
"1244628"	718.186885	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Br"	78.918885
"1308898"	720.242872	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Cl+HCOOH"	80.974872
"1322387"	742.224829	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Cl+NaCOOH"	102.956829
"916362"	752.253586	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M-H+CF3COOH"	112.985586
"1294160"	788.230264	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Cl+CF3COOH"	148.962264
"1369772"	604.255324	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H-2H2O"	-35.012676
"1393108"	622.2653	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H-H2O"	-17.0027
"290609"	1279.543276	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+H"	1.007276
"680844"	1918.811276	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+H"	1.007276
"1356096"	640.275276	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H"	1.007276
"129350"	640.275276	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+2H"	2.014552
"568541"	959.909276	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+2H"	2.014552
"1038310"	320.641276	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2H"	2.014552
"208158"	427.185942666667	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+3H"	3.021828
"646260"	640.275276	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+3H"	3.021828
"1165116"	214.096609333333	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+3H"	3.021828
"427302"	1296.569823	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+NH4"	18.033823
"799239"	1935.837823	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+NH4"	18.033823
"1695570"	657.301823	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+NH4"	18.033823
"341660"	648.7885495	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+H+NH4"	19.041099
"736266"	968.4225495	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+H+NH4"	19.041099
"1490815"	329.1545495	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H+NH4"	19.041099
"406579"	1301.525218	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+Na"	22.989218
"766481"	1940.793218	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+Na"	22.989218
"1613487"	662.257218	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Na"	22.989218
"327168"	651.266247	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+H+Na"	23.996494
"718861"	970.900247	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+H+Na"	23.996494
"1470858"	331.632247	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H+Na"	23.996494
"1065196"	221.423923333333	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2H+Na"	25.00377
"1272227"	672.301486	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+CH3OH+H"	33.033486
"389098"	1317.499158	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+K"	38.963158
"751918"	1956.767158	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+K"	38.963158
"1551058"	678.231158	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+K"	38.963158
"310418"	659.253217	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+H+K"	39.970434
"705026"	978.887217	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+H+K"	39.970434
"1456662"	339.619217	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H+K"	39.970434
"247814"	1320.569826	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+ACN+H"	42.033826
"1214327"	681.301826	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+ACN+H"	42.033826
"1202583"	341.154551	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+ACN+2H"	43.041102
"196548"	1323.50716	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+2Na-H"	44.97116
"638295"	1962.77516	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+2Na-H"	44.97116
"1133415"	684.23916	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2Na-H"	44.97116
"176705"	662.257218	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+2Na"	45.978436
"616994"	981.891218	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+2Na"	45.978436
"1117217"	342.623218	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2Na"	45.978436
"1400016"	228.751237333333	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H+2Na"	46.985712
"1434321"	686.280746	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H+HCOOH"	47.012746
"228029"	667.29024	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+3H2O+2H"	56.04448
"1511350"	700.33279	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+IsoProp+H"	61.06479
"422348"	670.244188	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+Na+K"	61.952376
"784075"	989.878188	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+Na+K"	61.952376
"1677123"	350.610188	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Na+K"	61.952376
"261095"	1342.551768	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+ACN+Na"	64.015768
"1233074"	703.283768	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+ACN+Na"	64.015768
"1721230"	703.307293	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+NH4+HCOOH"	64.039293
"1184394"	236.078551333333	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+3Na"	68.967654
"1659754"	708.262688	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Na+HCOOH"	68.994688
"163336"	1355.45504	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+2K-H"	76.91904
"605816"	1994.72304	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+2K-H"	76.91904
"1088504"	716.18704	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2K-H"	76.91904
"150424"	678.231158	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"2M+2K"	77.926316
"588161"	997.865158	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"3M+2K"	77.926316
"1073770"	358.597158	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2K"	77.926316
"1100535"	718.201592	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2K+H"	78.933592
"1340087"	718.289207	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+DMSO+H"	79.021207
"1009709"	722.328376	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2ACN+H"	83.060376
"1532940"	723.322008	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+IsoProp+Na+H"	84.054008
"996472"	361.667826	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+2ACN+2H"	84.067652
"1597536"	724.236628	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+K+HCOOH"	84.968628
"1428301"	754.268138	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+H+CF3COOH"	115.000138
"1160774"	382.181101	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+3ACN+2H"	125.094202
"1711783"	771.294685	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+NH4+CF3COOH"	132.026685
"1640872"	776.25008	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+Na+CF3COOH"	136.98208
"1573242"	792.22402	"C14724"	"Demethyl-desacetyl-rifamycin S"	"C34H41NO11"	"639.268"	"M+K+CF3COOH"	152.95602
"816849"	641.2836	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M"	0
"988456"	622.26521	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-H2O-H"	-19.01839
"78112"	426.515124	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M-3H"	-3.021828
"517957"	640.276324	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M-3H"	-3.021828
"895032"	212.753924	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-3H"	-3.021828
"14819"	640.276324	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M-2H"	-2.014552
"454752"	960.918124	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M-2H"	-2.014552
"831868"	319.634524	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-2H"	-2.014552
"91808"	1281.559924	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M-H"	-1.007276
"533442"	1922.843524	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M-H"	-1.007276
"909171"	640.276324	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-H"	-1.007276
"62092"	1298.586471	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M-2H+NH4"	16.019271
"500679"	1939.870071	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M-2H+NH4"	16.019271
"878370"	657.302871	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-2H+NH4"	16.019271
"45539"	1303.541866	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M-2H+Na"	20.974666
"485098"	1944.825466	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M-2H+Na"	20.974666
"862537"	662.258266	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-2H+Na"	20.974666
"1632435"	662.258266	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Na-2H"	20.974666
"107870"	658.264663	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M-H+Cl"	33.962126
"548156"	978.906463	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M-H+Cl"	33.962126
"941432"	337.622863	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-H+Cl"	33.962126
"276217"	1317.536602	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+Cl"	34.969402
"668634"	1958.820202	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+Cl"	34.969402
"1283231"	676.253002	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Cl"	34.969402
"23605"	1319.515806	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M-2H+K"	36.948606
"468267"	1960.799406	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M-2H+K"	36.948606
"844610"	678.232206	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-2H+K"	36.948606
"1566642"	678.232206	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+K-2H"	36.948606
"950152"	686.281794	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-H+HCOOH"	44.998194
"366180"	1327.565401	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+HCOOH-H"	44.998201
"348967"	1341.581051	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+Hac-H"	59.013851
"1498895"	700.297451	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Hac-H"	59.013851
"965341"	708.263751	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-H+NaCOOH"	66.980151
"120809"	676.253002	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+2Cl"	69.938804
"560371"	996.894802	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+2Cl"	69.938804
"1030264"	355.611202	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2Cl"	69.938804
"1245467"	720.202485	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Br"	78.918885
"1310102"	722.258472	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Cl+HCOOH"	80.974872
"1324321"	744.240429	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Cl+NaCOOH"	102.956829
"923033"	754.269186	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M-H+CF3COOH"	112.985586
"1294271"	790.245864	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Cl+CF3COOH"	148.962264
"1369153"	606.270924	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H-2H2O"	-35.012676
"1392125"	624.2809	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H-H2O"	-17.0027
"290719"	1283.574476	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+H"	1.007276
"680954"	1924.858076	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+H"	1.007276
"1355114"	642.290876	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H"	1.007276
"130190"	642.290876	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+2H"	2.014552
"568651"	962.932676	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+2H"	2.014552
"1039638"	321.649076	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2H"	2.014552
"208268"	428.529676	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+3H"	3.021828
"647464"	642.290876	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+3H"	3.021828
"1164131"	214.768476	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+3H"	3.021828
"428140"	1300.601023	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+NH4"	18.033823
"799349"	1941.884623	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+NH4"	18.033823
"1693493"	659.317423	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+NH4"	18.033823
"340677"	650.8041495	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+H+NH4"	19.041099
"734191"	971.4459495	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+H+NH4"	19.041099
"1489103"	330.1623495	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H+NH4"	19.041099
"402316"	1305.556418	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+Na"	22.989218
"765501"	1946.840018	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+Na"	22.989218
"1613600"	664.272818	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Na"	22.989218
"328006"	653.281847	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+H+Na"	23.996494
"720428"	973.923647	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+H+Na"	23.996494
"1469875"	332.640047	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H+Na"	23.996494
"1065310"	222.09579	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2H+Na"	25.00377
"1266988"	674.317086	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+CH3OH+H"	33.033486
"387750"	1321.530358	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+K"	38.963158
"750933"	1962.813958	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+K"	38.963158
"1551893"	680.246758	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+K"	38.963158
"310163"	661.268817	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+H+K"	39.970434
"702586"	981.910617	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+H+K"	39.970434
"1457499"	340.627017	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H+K"	39.970434
"246102"	1324.601026	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+ACN+H"	42.033826
"1220997"	683.317426	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+ACN+H"	42.033826
"1197588"	342.162351	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+ACN+2H"	43.041102
"192646"	1327.53836	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+2Na-H"	44.97116
"633300"	1968.82196	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+2Na-H"	44.97116
"1131653"	686.25476	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2Na-H"	44.97116
"174627"	664.272818	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+2Na"	45.978436
"614917"	984.914618	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+2Na"	45.978436
"1117086"	343.631018	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2Na"	45.978436
"1399515"	229.423104	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H+2Na"	46.985712
"1431512"	688.296346	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H+HCOOH"	47.012746
"222305"	669.30584	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+3H2O+2H"	56.04448
"1509029"	702.34839	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+IsoProp+H"	61.06479
"415889"	672.259788	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+Na+K"	61.952376
"784552"	992.901588	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+Na+K"	61.952376
"1679060"	351.617988	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Na+K"	61.952376
"265212"	1346.582968	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+ACN+Na"	64.015768
"1235372"	705.299368	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+ACN+Na"	64.015768
"1724256"	705.322893	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+NH4+HCOOH"	64.039293
"1187422"	236.750418	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+3Na"	68.967654
"1656584"	710.278288	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Na+HCOOH"	68.994688
"163446"	1359.48624	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+2K-H"	76.91904
"604832"	2000.76984	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+2K-H"	76.91904
"1089708"	718.20264	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2K-H"	76.91904
"151991"	680.246758	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"2M+2K"	77.926316
"587178"	1000.888558	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"3M+2K"	77.926316
"1078620"	359.604958	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2K"	77.926316
"1108183"	720.217192	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2K+H"	78.933592
"1340197"	720.304807	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+DMSO+H"	79.021207
"1016017"	724.343976	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2ACN+H"	83.060376
"1530135"	725.337608	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+IsoProp+Na+H"	84.054008
"998405"	362.675626	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+2ACN+2H"	84.067652
"1601292"	726.252228	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+K+HCOOH"	84.968628
"1426223"	756.283738	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+H+CF3COOH"	115.000138
"1161248"	383.188901	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+3ACN+2H"	125.094202
"1712136"	773.310285	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+NH4+CF3COOH"	132.026685
"1644263"	778.26568	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+Na+CF3COOH"	136.98208
"1575540"	794.23962	"C14725"	"27-O-Demethyl-25-O-desacetylrifamycin SV;Demethyl-desacetyl-rifamycin SV"	"C34H43NO11"	"641.2836"	"M+K+CF3COOH"	152.95602
"814294"	407.8004	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M"	0
"989852"	388.78201	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H2O-H"	-19.01839
"77531"	270.859657333333	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-3H"	-3.021828
"517822"	406.793124	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-3H"	-3.021828
"894531"	134.926190666667	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-3H"	-3.021828
"15616"	406.793124	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H"	-2.014552
"453395"	610.693324	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H"	-2.014552
"831198"	202.892924	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H"	-2.014552
"85357"	814.593524	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-H"	-1.007276
"532572"	1222.393924	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-H"	-1.007276
"910497"	406.793124	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H"	-1.007276
"60012"	831.620071	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H+NH4"	16.019271
"502129"	1239.420471	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H+NH4"	16.019271
"878469"	423.819671	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H+NH4"	16.019271
"45640"	836.575466	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H+Na"	20.974666
"486711"	1244.375866	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H+Na"	20.974666
"861909"	428.775066	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H+Na"	20.974666
"1631443"	428.775066	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na-2H"	20.974666
"107250"	424.781463	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-H+Cl"	33.962126
"549117"	628.681663	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-H+Cl"	33.962126
"942551"	220.881263	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+Cl"	33.962126
"274138"	850.570202	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Cl"	34.969402
"667652"	1258.370602	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+Cl"	34.969402
"1283341"	442.769802	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl"	34.969402
"23714"	852.549406	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H+K"	36.948606
"467651"	1260.349806	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H+K"	36.948606
"843267"	444.749006	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H+K"	36.948606
"1567848"	444.749006	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K-2H"	36.948606
"954637"	452.798594	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+HCOOH"	44.998194
"369572"	860.599001	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+HCOOH-H"	44.998201
"353455"	874.614651	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Hac-H"	59.013851
"1493538"	466.814251	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Hac-H"	59.013851
"968733"	474.780551	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+NaCOOH"	66.980151
"117640"	442.769802	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2Cl"	69.938804
"561573"	646.670002	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2Cl"	69.938804
"1027093"	238.869602	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2Cl"	69.938804
"1247763"	486.719285	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Br"	78.918885
"1309119"	488.775272	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl+HCOOH"	80.974872
"1324424"	510.757229	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl+NaCOOH"	102.956829
"916579"	520.785986	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+CF3COOH"	112.985586
"1292557"	556.762664	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl+CF3COOH"	148.962264
"1378018"	372.787724	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H-2H2O"	-35.012676
"1396608"	390.7977	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H-H2O"	-17.0027
"293017"	816.608076	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H"	1.007276
"684346"	1224.408476	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H"	1.007276
"1352673"	408.807676	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H"	1.007276
"128841"	408.807676	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2H"	2.014552
"568034"	612.707876	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2H"	2.014552
"1040113"	204.907476	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2H"	2.014552
"209107"	272.874209333333	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+3H"	3.021828
"647573"	408.807676	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+3H"	3.021828
"1163511"	136.940742666667	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+3H"	3.021828
"429344"	833.634623	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+NH4"	18.033823
"800922"	1241.435023	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+NH4"	18.033823
"1696947"	425.834223	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+NH4"	18.033823
"344797"	417.3209495	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H+NH4"	19.041099
"738499"	621.2211495	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H+NH4"	19.041099
"1492678"	213.4207495	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+NH4"	19.041099
"405709"	838.590018	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Na"	22.989218
"769136"	1246.390418	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+Na"	22.989218
"1614804"	430.789618	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na"	22.989218
"325934"	419.798647	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H+Na"	23.996494
"717262"	623.698847	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H+Na"	23.996494
"1473267"	215.898447	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+Na"	23.996494
"1064328"	144.268056666667	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2H+Na"	25.00377
"1264911"	440.833886	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+CH3OH+H"	33.033486
"386767"	854.563958	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+K"	38.963158
"752137"	1262.364358	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+K"	38.963158
"1550910"	446.763558	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K"	38.963158
"309180"	427.785617	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H+K"	39.970434
"703790"	631.685817	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H+K"	39.970434
"1458703"	223.885417	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+K"	39.970434
"248765"	857.634626	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+ACN+H"	42.033826
"1211629"	449.834226	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+ACN+H"	42.033826
"1195022"	225.420751	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+ACN+2H"	43.041102
"192756"	860.57196	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2Na-H"	44.97116
"631588"	1268.37236	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2Na-H"	44.97116
"1132907"	452.77156	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2Na-H"	44.97116
"175103"	430.789618	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2Na"	45.978436
"615027"	634.689818	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2Na"	45.978436
"1115718"	226.889418	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2Na"	45.978436
"1399504"	151.595370666667	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+2Na"	46.985712
"1431622"	454.813146	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+HCOOH"	47.012746
"225331"	435.82264	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+3H2O+2H"	56.04448
"1510476"	468.86519	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+IsoProp+H"	61.06479
"411987"	438.776588	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Na+K"	61.952376
"785270"	642.676788	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+Na+K"	61.952376
"1679534"	234.876388	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na+K"	61.952376
"265200"	879.616568	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+ACN+Na"	64.015768
"1236941"	471.816168	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+ACN+Na"	64.015768
"1724003"	471.839693	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+NH4+HCOOH"	64.039293
"1188989"	158.922684666667	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+3Na"	68.967654
"1661069"	476.795088	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na+HCOOH"	68.994688
"166836"	892.51984	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2K-H"	76.91904
"609681"	1300.32024	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2K-H"	76.91904
"1094921"	484.71944	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2K-H"	76.91904
"152830"	446.763558	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2K"	77.926316
"593120"	650.663758	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2K"	77.926316
"1080553"	242.863358	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2K"	77.926316
"1113765"	486.733992	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2K+H"	78.933592
"1346867"	486.821607	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+DMSO+H"	79.021207
"1016491"	490.860776	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2ACN+H"	83.060376
"1534620"	491.854408	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+IsoProp+Na+H"	84.054008
"1002525"	245.934026	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2ACN+2H"	84.067652
"1601042"	492.769028	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K+HCOOH"	84.968628
"1429254"	522.800538	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+CF3COOH"	115.000138
"1162753"	266.447301	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+3ACN+2H"	125.094202
"1712614"	539.827085	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+NH4+CF3COOH"	132.026685
"1644373"	544.78248	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na+CF3COOH"	136.98208
"1575649"	560.75642	"C14726"	"2233455-Heptachloro-4-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K+CF3COOH"	152.95602
"809299"	683.2942	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M"	0
"988669"	664.27581	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-H2O-H"	-19.01839
"75454"	454.522190666667	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M-3H"	-3.021828
"515014"	682.286924	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M-3H"	-3.021828
"893909"	226.757457333333	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-3H"	-3.021828
"14676"	682.286924	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M-2H"	-2.014552
"453505"	1023.934024	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M-2H"	-2.014552
"831308"	340.639824	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-2H"	-2.014552
"88747"	1365.581124	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M-H"	-1.007276
"534021"	2048.875324	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M-H"	-1.007276
"909999"	682.286924	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-H"	-1.007276
"61945"	1382.607671	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M-2H+NH4"	16.019271
"502605"	2065.901871	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M-2H+NH4"	16.019271
"879882"	699.313471	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-2H+NH4"	16.019271
"46237"	1387.563066	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M-2H+Na"	20.974666
"486652"	2070.857266	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M-2H+Na"	20.974666
"861898"	704.268866	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-2H+Na"	20.974666
"1633374"	704.268866	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Na-2H"	20.974666
"109542"	700.275263	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M-H+Cl"	33.962126
"549103"	1041.922363	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M-H+Cl"	33.962126
"942546"	358.628163	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-H+Cl"	33.962126
"276431"	1401.557802	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+Cl"	34.969402
"665575"	2084.852002	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+Cl"	34.969402
"1275793"	718.263602	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Cl"	34.969402
"18357"	1403.537006	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M-2H+K"	36.948606
"464479"	2086.831206	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M-2H+K"	36.948606
"844469"	720.242806	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-2H+K"	36.948606
"1567957"	720.242806	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+K-2H"	36.948606
"954747"	728.292394	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-H+HCOOH"	44.998194
"369682"	1411.586601	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+HCOOH-H"	44.998201
"353565"	1425.602251	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+Hac-H"	59.013851
"1493284"	742.308051	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Hac-H"	59.013851
"968843"	750.274351	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-H+NaCOOH"	66.980151
"121030"	718.263602	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+2Cl"	69.938804
"561683"	1059.910702	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+2Cl"	69.938804
"1027203"	376.616502	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2Cl"	69.938804
"1247874"	762.213085	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Br"	78.918885
"1308136"	764.269072	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Cl+HCOOH"	80.974872
"1324536"	786.251029	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Cl+NaCOOH"	102.956829
"915597"	796.279786	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M-H+CF3COOH"	112.985586
"1290481"	832.256464	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Cl+CF3COOH"	148.962264
"1380315"	648.281524	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H-2H2O"	-35.012676
"1396718"	666.2915	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H-H2O"	-17.0027
"293127"	1367.595676	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+H"	1.007276
"684455"	2050.889876	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+H"	1.007276
"1354242"	684.301476	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H"	1.007276
"128951"	684.301476	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+2H"	2.014552
"568144"	1025.948576	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+2H"	2.014552
"1042046"	342.654376	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2H"	2.014552
"208487"	456.536742666667	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+3H"	3.021828
"647319"	684.301476	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+3H"	3.021828
"1163256"	228.772009333333	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+3H"	3.021828
"427629"	1384.622223	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+NH4"	18.033823
"801280"	2067.916423	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+NH4"	18.033823
"1690432"	701.328023	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+NH4"	18.033823
"340896"	692.8147495	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+H+NH4"	19.041099
"736965"	1034.4618495	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+H+NH4"	19.041099
"1490420"	351.1676495	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H+NH4"	19.041099
"404724"	1389.577618	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+Na"	22.989218
"766815"	2072.871818	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+Na"	22.989218
"1614912"	706.283418	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Na"	22.989218
"326044"	695.292447	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+H+Na"	23.996494
"718465"	1036.939547	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+H+Na"	23.996494
"1474469"	353.645347	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H+Na"	23.996494
"1064074"	236.099323333333	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2H+Na"	25.00377
"1267207"	716.327686	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+CH3OH+H"	33.033486
"387970"	1405.551558	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+K"	38.963158
"750789"	2088.845758	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+K"	38.963158
"1551020"	722.257358	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+K"	38.963158
"309290"	703.279417	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+H+K"	39.970434
"705723"	1044.926517	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+H+K"	39.970434
"1460271"	361.632317	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H+K"	39.970434
"249968"	1408.622226	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+ACN+H"	42.033826
"1211739"	725.328026	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+ACN+H"	42.033826
"1194891"	363.167651	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+ACN+2H"	43.041102
"193595"	1411.55956	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+2Na-H"	44.97116
"630605"	2094.85376	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+2Na-H"	44.97116
"1132407"	728.26536	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2Na-H"	44.97116
"173181"	706.283418	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+2Na"	45.978436
"614650"	1047.930518	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+2Na"	45.978436
"1117183"	364.636318	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2Na"	45.978436
"1398883"	243.426637333333	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H+2Na"	46.985712
"1430513"	730.306946	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H+HCOOH"	47.012746
"226170"	711.31644	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+3H2O+2H"	56.04448
"1511316"	744.35899	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+IsoProp+H"	61.06479
"412097"	714.270388	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+Na+K"	61.952376
"784650"	1055.917488	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+Na+K"	61.952376
"1679881"	372.623288	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Na+K"	61.952376
"265432"	1430.604168	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+ACN+Na"	64.015768
"1237412"	747.309968	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+ACN+Na"	64.015768
"1724839"	747.333493	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+NH4+HCOOH"	64.039293
"1190195"	250.753951333333	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+3Na"	68.967654
"1660453"	752.288888	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Na+HCOOH"	68.994688
"168772"	1443.50744	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+2K-H"	76.91904
"608333"	2126.80164	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+2K-H"	76.91904
"1096125"	760.21324	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2K-H"	76.91904
"152212"	722.257358	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"2M+2K"	77.926316
"593230"	1063.904458	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"3M+2K"	77.926316
"1082485"	380.610258	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2K"	77.926316
"1112779"	762.227792	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2K+H"	78.933592
"1343697"	762.315407	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+DMSO+H"	79.021207
"1016601"	766.354576	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2ACN+H"	83.060376
"1535823"	767.348208	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+IsoProp+Na+H"	84.054008
"1002270"	383.680926	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+2ACN+2H"	84.067652
"1601392"	768.262828	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+K+HCOOH"	84.968628
"1428999"	798.294338	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+H+CF3COOH"	115.000138
"1162523"	404.194201	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+3ACN+2H"	125.094202
"1711751"	815.320885	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+NH4+CF3COOH"	132.026685
"1644483"	820.27628	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+Na+CF3COOH"	136.98208
"1575759"	836.25022	"C14727"	"27-O-Demethylrifamycin SV"	"C36H45NO12"	"683.2942"	"M+K+CF3COOH"	152.95602
"809409"	373.8393	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M"	0
"989388"	354.82091	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H2O-H"	-19.01839
"75564"	248.218924	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-3H"	-3.021828
"516217"	372.832024	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-3H"	-3.021828
"894871"	123.605824	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-3H"	-3.021828
"15317"	372.832024	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H"	-2.014552
"453616"	559.751674	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H"	-2.014552
"832356"	185.912374	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H"	-2.014552
"92137"	746.671324	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H"	-1.007276
"533772"	1120.510624	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H"	-1.007276
"910882"	372.832024	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H"	-1.007276
"61813"	763.697871	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+NH4"	16.019271
"502705"	1137.537171	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+NH4"	16.019271
"879912"	389.858571	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+NH4"	16.019271
"45618"	768.653266	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+Na"	20.974666
"484814"	1142.492566	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+Na"	20.974666
"862864"	394.813966	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+Na"	20.974666
"1632032"	394.813966	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na-2H"	20.974666
"108563"	390.820363	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H+Cl"	33.962126
"547390"	577.740013	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H+Cl"	33.962126
"939447"	203.900713	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+Cl"	33.962126
"275452"	782.648002	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Cl"	34.969402
"665685"	1156.487302	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Cl"	34.969402
"1279184"	408.808702	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl"	34.969402
"20654"	784.627206	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+K"	36.948606
"467869"	1158.466506	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+K"	36.948606
"839110"	410.787906	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+K"	36.948606
"1570619"	410.787906	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K-2H"	36.948606
"956681"	418.837494	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+HCOOH"	44.998194
"372709"	792.676801	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+HCOOH-H"	44.998201
"358049"	806.692451	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Hac-H"	59.013851
"1499226"	432.853151	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Hac-H"	59.013851
"965673"	440.819451	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+NaCOOH"	66.980151
"117860"	408.808702	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Cl"	69.938804
"558513"	595.728352	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Cl"	69.938804
"1030593"	221.889052	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Cl"	69.938804
"1251264"	452.758185	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Br"	78.918885
"1314444"	454.814172	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+HCOOH"	80.974872
"1323555"	476.796129	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+NaCOOH"	102.956829
"915707"	486.824886	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+CF3COOH"	112.985586
"1291319"	522.801564	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+CF3COOH"	148.962264
"1381518"	338.826624	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-2H2O"	-35.012676
"1392454"	356.8366	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-H2O"	-17.0027
"294330"	748.685876	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H"	1.007276
"683471"	1122.525176	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H"	1.007276
"1355446"	374.846576	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H"	1.007276
"131615"	374.846576	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2H"	2.014552
"567161"	561.766226	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2H"	2.014552
"1041063"	187.926926	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H"	2.014552
"208963"	250.233476	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H"	3.021828
"647793"	374.846576	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+3H"	3.021828
"1164096"	125.620376	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3H"	3.021828
"427740"	765.712423	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+NH4"	18.033823
"800656"	1139.551723	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+NH4"	18.033823
"1692729"	391.873123	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4"	18.033823
"339913"	383.3598495	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+NH4"	19.041099
"735252"	570.2794995	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+NH4"	19.041099
"1490165"	196.4401995	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+NH4"	19.041099
"403742"	770.667818	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na"	22.989218
"766925"	1144.507118	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na"	22.989218
"1615386"	396.828518	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na"	22.989218
"325789"	385.837547	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+Na"	23.996494
"718572"	572.757197	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+Na"	23.996494
"1469111"	198.917897	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+Na"	23.996494
"1063451"	132.94769	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H+Na"	25.00377
"1267317"	406.872786	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+CH3OH+H"	33.033486
"385891"	786.641758	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+K"	38.963158
"749075"	1160.481058	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+K"	38.963158
"1548942"	412.802458	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K"	38.963158
"310493"	393.824517	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+K"	39.970434
"705102"	580.744167	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+K"	39.970434
"1459894"	206.904867	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+K"	39.970434
"248255"	789.712426	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+H"	42.033826
"1213307"	415.873126	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+H"	42.033826
"1196826"	208.440201	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+2H"	43.041102
"192977"	792.64976	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na-H"	44.97116
"630350"	1166.48906	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na-H"	44.97116
"1133856"	418.81046	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na-H"	44.97116
"172969"	396.828518	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na"	45.978436
"617434"	583.748168	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na"	45.978436
"1117660"	209.908868	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na"	45.978436
"1401913"	140.275004	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+2Na"	46.985712
"1431354"	420.852046	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+HCOOH"	47.012746
"221174"	401.86154	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H2O+2H"	56.04448
"1512155"	434.90409	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+H"	61.06479
"410017"	404.815488	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na+K"	61.952376
"784151"	591.735138	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na+K"	61.952376
"1679751"	217.895838	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+K"	61.952376
"264084"	811.694368	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+Na"	64.015768
"1234970"	437.855068	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+Na"	64.015768
"1720575"	437.878593	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+HCOOH"	64.039293
"1185567"	147.602318	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3Na"	68.967654
"1658010"	442.833988	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+HCOOH"	68.994688
"166329"	824.59764	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K-H"	76.91904
"605527"	1198.43694	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K-H"	76.91904
"1087119"	450.75834	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K-H"	76.91904
"146853"	412.802458	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K"	77.926316
"587507"	599.722108	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K"	77.926316
"1077126"	225.882808	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K"	77.926316
"1110701"	452.772892	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K+H"	78.933592
"1343807"	452.860507	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+DMSO+H"	79.021207
"1017804"	456.899676	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+H"	83.060376
"1538852"	457.893308	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+Na+H"	84.054008
"1005177"	228.953476	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+2H"	84.067652
"1602352"	458.807928	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+HCOOH"	84.968628
"1429472"	488.839438	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+CF3COOH"	115.000138
"1162676"	249.466751	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3ACN+2H"	125.094202
"1712349"	505.865985	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+CF3COOH"	132.026685
"1644593"	510.82138	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+CF3COOH"	136.98208
"1575869"	526.79532	"C14728"	"223345-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+CF3COOH"	152.95602
"809523"	339.8783	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"985244"	320.85991	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"75675"	225.578257333333	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"517061"	338.871024	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"889758"	112.285490666667	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"15352"	338.871024	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"454090"	508.810174	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"832309"	168.931874	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"92857"	678.749324	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"533845"	1018.627624	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"910590"	338.871024	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"62293"	695.775871	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"502220"	1035.654171	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"878928"	355.897571	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"42688"	700.731266	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"486677"	1040.609566	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"863463"	360.852966	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1632871"	360.852966	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"108305"	356.859363	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"547621"	526.798513	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"941136"	186.920213	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"275562"	714.726002	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"664700"	1054.604302	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1279302"	374.847702	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"20764"	716.705206	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"461419"	1056.583506	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"842500"	376.826906	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1568175"	376.826906	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"946217"	384.876494	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"374275"	724.754801	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"354878"	738.770451	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1496419"	398.892151	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"962866"	406.858451	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"113230"	374.847702	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"557532"	544.786852	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1025600"	204.908552	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1244814"	418.797185	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1308357"	420.853172	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1322207"	442.835129	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"915817"	452.863886	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1294716"	488.840564	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1382115"	304.865624	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1392564"	322.8756	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"294441"	680.763876	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"689048"	1020.642176	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1361024"	340.885576	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"133913"	340.885576	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"570555"	510.824726	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1040080"	170.946426	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"208343"	227.592809333333	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"646810"	340.885576	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1164935"	114.300042666667	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"438442"	697.790423	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"800161"	1037.668723	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1695638"	357.912123	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"341118"	349.3988495	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"736460"	519.3379995	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1490279"	179.4596995	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"403487"	702.745818	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"765940"	1042.624118	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1615130"	362.867518	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"325167"	351.876547	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"718681"	521.815697	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1469222"	181.937397	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1066115"	121.627356666667	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1268520"	372.911786	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"387094"	718.719758	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"751371"	1058.598058	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1553061"	378.841458	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"313767"	359.863517	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"703025"	529.802667	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1452474"	189.924367	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"241075"	721.790426	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1213780"	381.912126	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1195842"	191.459701	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"190901"	724.72776	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"628567"	1064.60606	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1132749"	384.84946	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"173161"	362.867518	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"614994"	532.806668	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1116106"	192.928368	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1401659"	128.954670666667	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1431588"	386.891046	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"225297"	367.90054	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1509225"	400.94309	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"420705"	370.854488	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"784141"	540.793638	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1676944"	200.915338	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"261278"	743.772368	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1232891"	403.894068	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1720683"	403.917593	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1187132"	136.281984666667	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1655203"	408.872988	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"161701"	756.67564	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"600169"	1096.55394	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1095617"	416.79734	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"148059"	378.841458	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"585432"	548.780608	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1081976"	208.902308	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1111906"	418.811892	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1350857"	418.899507	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1011353"	422.938676	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1536040"	423.932308	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"1002488"	211.972976	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1598086"	424.846928	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1425934"	454.878438	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1162054"	232.486251	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1704679"	471.904985	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1641423"	476.86038	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1574885"	492.83432	"C14729"	"23345-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"809629"	373.8393	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M"	0
"987175"	354.82091	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H2O-H"	-19.01839
"75785"	248.218924	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-3H"	-3.021828
"517171"	372.832024	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-3H"	-3.021828
"892055"	123.605824	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-3H"	-3.021828
"15679"	372.832024	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H"	-2.014552
"454079"	559.751674	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H"	-2.014552
"832256"	185.912374	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H"	-2.014552
"93331"	746.671324	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H"	-1.007276
"534117"	1120.510624	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H"	-1.007276
"910706"	372.832024	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H"	-1.007276
"62485"	763.697871	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+NH4"	16.019271
"502095"	1137.537171	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+NH4"	16.019271
"879403"	389.858571	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+NH4"	16.019271
"43892"	768.653266	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+Na"	20.974666
"485778"	1142.492566	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+Na"	20.974666
"863695"	394.813966	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+Na"	20.974666
"1633585"	394.813966	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na-2H"	20.974666
"108658"	390.820363	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-H+Cl"	33.962126
"547852"	577.740013	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-H+Cl"	33.962126
"940394"	203.900713	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+Cl"	33.962126
"274578"	782.648002	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Cl"	34.969402
"662622"	1156.487302	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Cl"	34.969402
"1281598"	408.808702	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl"	34.969402
"26340"	784.627206	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M-2H+K"	36.948606
"466997"	1158.466506	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M-2H+K"	36.948606
"841517"	410.787906	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-2H+K"	36.948606
"1568286"	410.787906	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K-2H"	36.948606
"945234"	418.837494	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+HCOOH"	44.998194
"374385"	792.676801	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+HCOOH-H"	44.998201
"357175"	806.692451	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Hac-H"	59.013851
"1497258"	432.853151	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Hac-H"	59.013851
"965892"	440.819451	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+NaCOOH"	66.980151
"113340"	408.808702	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Cl"	69.938804
"556548"	595.728352	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Cl"	69.938804
"1027533"	221.889052	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Cl"	69.938804
"1244560"	452.758185	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Br"	78.918885
"1307738"	454.814172	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+HCOOH"	80.974872
"1320860"	476.796129	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+NaCOOH"	102.956829
"911917"	486.824886	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M-H+CF3COOH"	112.985586
"1298108"	522.801564	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Cl+CF3COOH"	148.962264
"1367641"	338.826624	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-2H2O"	-35.012676
"1391581"	356.8366	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H-H2O"	-17.0027
"296739"	748.685876	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H"	1.007276
"689158"	1122.525176	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H"	1.007276
"1362227"	374.846576	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H"	1.007276
"134023"	374.846576	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2H"	2.014552
"568478"	561.766226	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2H"	2.014552
"1041285"	187.926926	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H"	2.014552
"206994"	250.233476	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H"	3.021828
"649837"	374.846576	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+3H"	3.021828
"1163587"	125.620376	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3H"	3.021828
"438065"	765.712423	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+NH4"	18.033823
"800394"	1139.551723	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+NH4"	18.033823
"1696597"	391.873123	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4"	18.033823
"341227"	383.3598495	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+NH4"	19.041099
"737299"	570.2794995	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+NH4"	19.041099
"1490389"	196.4401995	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+NH4"	19.041099
"403962"	770.667818	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na"	22.989218
"766050"	1144.507118	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na"	22.989218
"1615240"	396.828518	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na"	22.989218
"326369"	385.837547	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+Na"	23.996494
"715511"	572.757197	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+Na"	23.996494
"1471519"	198.917897	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+Na"	23.996494
"1063671"	132.94769	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2H+Na"	25.00377
"1267536"	406.872786	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+CH3OH+H"	33.033486
"386111"	786.641758	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+K"	38.963158
"749294"	1160.481058	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+K"	38.963158
"1553537"	412.802458	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K"	38.963158
"313840"	393.824517	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+H+K"	39.970434
"703136"	580.744167	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+H+K"	39.970434
"1455863"	206.904867	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+K"	39.970434
"241185"	789.712426	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+H"	42.033826
"1213165"	415.873126	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+H"	42.033826
"1197410"	208.440201	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+2H"	43.041102
"189916"	792.64976	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na-H"	44.97116
"628988"	1166.48906	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na-H"	44.97116
"1135898"	418.81046	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na-H"	44.97116
"179918"	396.828518	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2Na"	45.978436
"615468"	583.748168	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2Na"	45.978436
"1117271"	209.908868	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2Na"	45.978436
"1403227"	140.275004	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+2Na"	46.985712
"1432792"	420.852046	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+HCOOH"	47.012746
"225407"	401.86154	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+3H2O+2H"	56.04448
"1510185"	434.90409	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+H"	61.06479
"419722"	404.815488	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+Na+K"	61.952376
"784371"	591.735138	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+Na+K"	61.952376
"1673774"	217.895838	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+K"	61.952376
"261386"	811.694368	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+ACN+Na"	64.015768
"1230815"	437.855068	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+ACN+Na"	64.015768
"1721888"	437.878593	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+HCOOH"	64.039293
"1187241"	147.602318	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3Na"	68.967654
"1654581"	442.833988	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+HCOOH"	68.994688
"160718"	824.59764	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K-H"	76.91904
"603560"	1198.43694	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K-H"	76.91904
"1092446"	450.75834	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K-H"	76.91904
"148169"	412.802458	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"2M+2K"	77.926316
"585542"	599.722108	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"3M+2K"	77.926316
"1081358"	225.882808	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K"	77.926316
"1113109"	452.772892	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2K+H"	78.933592
"1350351"	452.860507	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+DMSO+H"	79.021207
"1011463"	456.899676	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+H"	83.060376
"1537244"	457.893308	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+IsoProp+Na+H"	84.054008
"1004422"	228.953476	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+2ACN+2H"	84.067652
"1599290"	458.807928	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+HCOOH"	84.968628
"1424951"	488.839438	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+H+CF3COOH"	115.000138
"1161072"	249.466751	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+3ACN+2H"	125.094202
"1704789"	505.865985	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+NH4+CF3COOH"	132.026685
"1641533"	510.82138	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+Na+CF3COOH"	136.98208
"1574995"	526.79532	"C14730"	"223455-Hexachloro-4-biphenylol"	"C12H4Cl6O"	"373.8393"	"M+K+CF3COOH"	152.95602
"809739"	350.0881	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M"	0
"986556"	331.06971	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-H2O-H"	-19.01839
"69334"	232.384790666667	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M-3H"	-3.021828
"518380"	349.080824	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M-3H"	-3.021828
"889977"	115.688757333333	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-3H"	-3.021828
"15666"	349.080824	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M-2H"	-2.014552
"448113"	524.124874	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M-2H"	-2.014552
"832361"	174.036774	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-2H"	-2.014552
"89186"	699.168924	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M-H"	-1.007276
"534220"	1049.257024	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M-H"	-1.007276
"910321"	349.080824	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-H"	-1.007276
"62788"	716.195471	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M-2H+NH4"	16.019271
"502647"	1066.283571	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M-2H+NH4"	16.019271
"879390"	366.107371	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-2H+NH4"	16.019271
"46886"	721.150866	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M-2H+Na"	20.974666
"486492"	1071.238966	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M-2H+Na"	20.974666
"864123"	371.062766	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-2H+Na"	20.974666
"1630899"	371.062766	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Na-2H"	20.974666
"107428"	367.069163	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M-H+Cl"	33.962126
"549589"	542.113213	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M-H+Cl"	33.962126
"941598"	192.025113	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-H+Cl"	33.962126
"276875"	735.145602	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+Cl"	34.969402
"666013"	1085.233702	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+Cl"	34.969402
"1277333"	385.057502	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Cl"	34.969402
"26450"	737.124806	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M-2H+K"	36.948606
"464917"	1087.212906	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M-2H+K"	36.948606
"846001"	387.036706	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-2H+K"	36.948606
"1569489"	387.036706	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+K-2H"	36.948606
"952999"	395.086294	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-H+HCOOH"	44.998194
"374496"	745.174401	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+HCOOH-H"	44.998201
"357285"	759.190051	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+Hac-H"	59.013851
"1503930"	409.101951	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Hac-H"	59.013851
"964910"	417.068251	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-H+NaCOOH"	66.980151
"119284"	385.057502	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+2Cl"	69.938804
"555565"	560.101552	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+2Cl"	69.938804
"1025456"	210.013452	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2Cl"	69.938804
"1247222"	429.006985	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Br"	78.918885
"1307484"	431.062972	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Cl+HCOOH"	80.974872
"1322793"	453.044929	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Cl+NaCOOH"	102.956829
"911663"	463.073686	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M-H+CF3COOH"	112.985586
"1300405"	499.050364	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Cl+CF3COOH"	148.962264
"1367994"	315.075424	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H-2H2O"	-35.012676
"1396795"	333.0854	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H-H2O"	-17.0027
"294298"	701.183476	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+H"	1.007276
"688905"	1051.271576	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+H"	1.007276
"1360151"	351.095376	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H"	1.007276
"134133"	351.095376	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+2H"	2.014552
"570775"	526.139426	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+2H"	2.014552
"1039208"	176.051326	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2H"	2.014552
"206013"	234.399342666667	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+3H"	3.021828
"646664"	351.095376	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+3H"	3.021828
"1164790"	117.703309333333	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+3H"	3.021828
"439469"	718.210023	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+NH4"	18.033823
"800745"	1068.298123	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+NH4"	18.033823
"1696792"	368.121923	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+NH4"	18.033823
"344621"	359.6086495	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+H+NH4"	19.041099
"738437"	534.6526995	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+H+NH4"	19.041099
"1490863"	184.5645995	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H+NH4"	19.041099
"401886"	723.165418	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+Na"	22.989218
"762881"	1073.253518	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+Na"	22.989218
"1612071"	373.077318	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Na"	22.989218
"324293"	362.086347	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+H+Na"	23.996494
"714528"	537.130397	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+H+Na"	23.996494
"1467256"	187.042297	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H+Na"	23.996494
"1058315"	125.030623333333	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2H+Na"	25.00377
"1264367"	383.121586	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+CH3OH+H"	33.033486
"386222"	739.139358	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+K"	38.963158
"747218"	1089.227458	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+K"	38.963158
"1551824"	389.051258	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+K"	38.963158
"313992"	370.073317	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+H+K"	39.970434
"703610"	545.117367	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+H+K"	39.970434
"1458160"	195.029267	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H+K"	39.970434
"238015"	742.210026	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+ACN+H"	42.033826
"1215097"	392.121926	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+ACN+H"	42.033826
"1201165"	196.564601	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+ACN+2H"	43.041102
"194035"	745.14736	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+2Na-H"	44.97116
"633597"	1095.23546	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+2Na-H"	44.97116
"1140382"	395.05926	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2Na-H"	44.97116
"179299"	373.077318	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+2Na"	45.978436
"624326"	548.121368	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+2Na"	45.978436
"1117988"	198.033268	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2Na"	45.978436
"1401515"	132.357937333333	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H+2Na"	46.985712
"1432293"	397.100846	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H+HCOOH"	47.012746
"225517"	378.11034	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+3H2O+2H"	56.04448
"1510052"	411.15289	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+IsoProp+H"	61.06479
"416552"	381.064288	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+Na+K"	61.952376
"784597"	556.108338	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+Na+K"	61.952376
"1678256"	206.020238	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Na+K"	61.952376
"263683"	764.191968	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+ACN+Na"	64.015768
"1232017"	414.103868	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+ACN+Na"	64.015768
"1719810"	414.127393	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+NH4+HCOOH"	64.039293
"1188447"	139.685251333333	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+3Na"	68.967654
"1655057"	419.082788	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Na+HCOOH"	68.994688
"160828"	777.09524	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+2K-H"	76.91904
"600390"	1127.18334	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+2K-H"	76.91904
"1092556"	427.00714	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2K-H"	76.91904
"148279"	389.051258	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"2M+2K"	77.926316
"587839"	564.095308	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"3M+2K"	77.926316
"1080010"	214.007208	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2K"	77.926316
"1111033"	429.021692	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2K+H"	78.933592
"1348515"	429.109307	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+DMSO+H"	79.021207
"1020573"	433.148476	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2ACN+H"	83.060376
"1536261"	434.142108	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+IsoProp+Na+H"	84.054008
"1004532"	217.077876	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+2ACN+2H"	84.067652
"1598307"	435.056728	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+K+HCOOH"	84.968628
"1425061"	465.088238	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+H+CF3COOH"	115.000138
"1161182"	237.591151	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+3ACN+2H"	125.094202
"1702712"	482.114785	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+NH4+CF3COOH"	132.026685
"1641643"	487.07018	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+Na+CF3COOH"	136.98208
"1574012"	503.04412	"C14731"	"16alpha-Bromo-17beta-estradiol;16alpha-Bromo-135(10)-estratriene-317beta-diol"	"C18H23BrO2"	"350.0881"	"M+K+CF3COOH"	152.95602
"809849"	318.2195	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M"	0
"989584"	299.20111	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"72725"	211.139057333333	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"516659"	317.212224	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"892275"	105.065890666667	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"15482"	317.212224	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"455028"	476.321974	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"832312"	158.102474	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"89296"	635.431724	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"534195"	953.651224	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"911169"	317.212224	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"62849"	652.458271	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"501701"	970.677771	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"879926"	334.238771	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"47124"	657.413666	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"487057"	975.633166	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"864212"	339.194166	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1634058"	339.194166	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"109814"	335.200563	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"546006"	494.310313	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"940980"	176.090813	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"279172"	671.408402	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"666123"	989.627902	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1277807"	353.188902	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"24373"	673.387606	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"458466"	991.607106	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"846111"	355.168106	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1569599"	355.168106	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"956392"	363.217694	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"376632"	681.437201	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"356302"	695.452851	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1505133"	377.233351	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"966113"	385.199651	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"121580"	353.188902	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"563330"	512.298652	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1027754"	194.079152	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1243322"	397.138385	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1308321"	399.194372	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1322538"	421.176329	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"912015"	431.205086	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1299421"	467.181764	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1374301"	283.206824	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1398275"	301.2168	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"295503"	637.446276	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"689747"	955.665776	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1363541"	319.226776	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"135336"	319.226776	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"571614"	478.336526	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1039681"	160.117026	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"207216"	213.153609333333	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"645681"	319.226776	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1163320"	107.080442666667	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"439256"	654.472823	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"800938"	972.692323	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1695608"	336.253323	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"344615"	327.7400495	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"737888"	486.8497995	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1492066"	168.6302995	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"403090"	659.428218	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"766271"	977.647718	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1612181"	341.208718	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"323310"	330.217747	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"713544"	489.327497	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1466273"	171.107997	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1060612"	114.407756666667	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1267757"	351.252986	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"386332"	675.402158	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"748421"	993.621658	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1546101"	357.182658	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"314145"	338.204717	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"702627"	497.314467	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1458635"	179.094967	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"243593"	678.472826	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1215207"	360.253326	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1197994"	180.630301	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"192323"	681.41016	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"634071"	999.62966	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1138305"	363.19066	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"178678"	341.208718	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"625166"	500.318468	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1119556"	182.098968	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1402352"	121.735070666667	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1432648"	365.232246	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"225627"	346.24174	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1511499"	379.28429	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"416662"	349.195688	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"785235"	508.305438	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1680797"	190.085938	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"264886"	700.454768	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1236505"	382.235268	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1724295"	382.258793	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1184182"	129.062384666667	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1657354"	387.214188	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"166406"	713.35804	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"603780"	1031.57754	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1093760"	395.13854	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"148389"	357.182658	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"587949"	516.292408	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1080120"	198.072908	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1112236"	397.153092	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1349597"	397.240707	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1019220"	401.279876	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1538318"	402.273508	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1003912"	201.143576	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1600603"	403.188128	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1429060"	433.219638	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1161899"	221.656851	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1702822"	450.246185	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1642846"	455.20158	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1576309"	471.17552	"C14732"	"5-OxoETE;(6E8Z11Z14Z)-5-Oxoicosa-681114-tetraenoic acid;5-Oxoeicosatetraenoic acid;5-Oxoicosatetraenoic acid"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"809959"	305.9173	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M"	0
"987140"	286.89891	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H2O-H"	-19.01839
"69554"	202.937590666667	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-3H"	-3.021828
"513488"	304.910024	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-3H"	-3.021828
"890197"	100.965157333333	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-3H"	-3.021828
"14973"	304.910024	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H"	-2.014552
"449426"	457.868674	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H"	-2.014552
"832703"	151.951374	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H"	-2.014552
"89406"	610.827324	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-H"	-1.007276
"534152"	916.744624	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-H"	-1.007276
"910418"	304.910024	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H"	-1.007276
"62835"	627.853871	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H+NH4"	16.019271
"502338"	933.771171	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H+NH4"	16.019271
"879864"	321.936571	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H+NH4"	16.019271
"46951"	632.809266	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H+Na"	20.974666
"486963"	938.726566	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H+Na"	20.974666
"864111"	326.891966	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H+Na"	20.974666
"1633837"	326.891966	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na-2H"	20.974666
"109600"	322.898363	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-H+Cl"	33.962126
"549806"	475.857013	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-H+Cl"	33.962126
"939630"	169.939713	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+Cl"	33.962126
"279281"	646.804002	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Cl"	34.969402
"668423"	952.721302	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+Cl"	34.969402
"1274637"	340.886702	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl"	34.969402
"27763"	648.783206	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M-2H+K"	36.948606
"461856"	954.700506	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M-2H+K"	36.948606
"845128"	342.865906	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-2H+K"	36.948606
"1568981"	342.865906	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K-2H"	36.948606
"955774"	350.915494	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+HCOOH"	44.998194
"373623"	656.832801	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+HCOOH-H"	44.998201
"357505"	670.848451	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Hac-H"	59.013851
"1501963"	364.931151	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Hac-H"	59.013851
"966223"	372.897451	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+NaCOOH"	66.980151
"121690"	340.886702	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2Cl"	69.938804
"563440"	493.845352	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2Cl"	69.938804
"1027864"	187.928052	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2Cl"	69.938804
"1241444"	384.836185	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Br"	78.918885
"1307703"	386.892172	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl+HCOOH"	80.974872
"1321920"	408.874129	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl+NaCOOH"	102.956829
"913704"	418.902886	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M-H+CF3COOH"	112.985586
"1299531"	454.879564	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Cl+CF3COOH"	148.962264
"1371130"	270.904624	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H-2H2O"	-35.012676
"1397744"	288.9146	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H-H2O"	-17.0027
"294884"	612.841876	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H"	1.007276
"689492"	918.759176	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H"	1.007276
"1362558"	306.924576	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H"	1.007276
"133259"	306.924576	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2H"	2.014552
"568444"	459.883226	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2H"	2.014552
"1039793"	153.965926	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2H"	2.014552
"205990"	204.952142666667	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+3H"	3.021828
"645791"	306.924576	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+3H"	3.021828
"1162817"	102.979709333333	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+3H"	3.021828
"439247"	629.868423	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+NH4"	18.033823
"801131"	935.785723	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+NH4"	18.033823
"1695838"	323.951123	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+NH4"	18.033823
"345090"	315.4378495	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H+NH4"	19.041099
"737917"	468.3964995	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H+NH4"	19.041099
"1491812"	162.4791995	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+NH4"	19.041099
"403929"	634.823818	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Na"	22.989218
"766746"	940.741118	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+Na"	22.989218
"1614478"	328.906518	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na"	22.989218
"324513"	317.915547	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H+Na"	23.996494
"714747"	470.874197	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H+Na"	23.996494
"1468570"	164.956897	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+Na"	23.996494
"1064002"	110.307023333333	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2H+Na"	25.00377
"1267867"	338.950786	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+CH3OH+H"	33.033486
"386442"	650.797758	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+K"	38.963158
"748531"	956.715058	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+K"	38.963158
"1548398"	344.880458	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K"	38.963158
"314007"	325.902517	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+H+K"	39.970434
"702372"	478.861167	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+H+K"	39.970434
"1458381"	172.943867	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+K"	39.970434
"242610"	653.868426	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+ACN+H"	42.033826
"1214223"	347.951126	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+ACN+H"	42.033826
"1195917"	174.479201	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+ACN+2H"	43.041102
"192069"	656.80576	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2Na-H"	44.97116
"633817"	962.72306	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2Na-H"	44.97116
"1137322"	350.88846	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2Na-H"	44.97116
"177332"	328.906518	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2Na"	45.978436
"624547"	481.865168	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2Na"	45.978436
"1120398"	175.947868	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2Na"	45.978436
"1402829"	117.634337333333	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+2Na"	46.985712
"1432759"	352.930046	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+HCOOH"	47.012746
"222455"	333.93954	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+3H2O+2H"	56.04448
"1510880"	366.98209	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+H"	61.06479
"416771"	336.893488	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+Na+K"	61.952376
"782141"	489.852138	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+Na+K"	61.952376
"1680947"	183.934838	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na+K"	61.952376
"264996"	675.850368	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+ACN+Na"	64.015768
"1236616"	369.933068	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+ACN+Na"	64.015768
"1723312"	369.956593	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+NH4+HCOOH"	64.039293
"1185385"	124.961651333333	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+3Na"	68.967654
"1655277"	374.911988	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na+HCOOH"	68.994688
"166516"	688.75364	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2K-H"	76.91904
"603890"	994.67094	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2K-H"	76.91904
"1090590"	382.83634	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2K-H"	76.91904
"148499"	344.880458	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"2M+2K"	77.926316
"585872"	497.839108	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"3M+2K"	77.926316
"1078043"	191.921808	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2K"	77.926316
"1112346"	384.850892	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2K+H"	78.933592
"1348735"	384.938507	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+DMSO+H"	79.021207
"1018358"	388.977676	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2ACN+H"	83.060376
"1537577"	389.971308	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+Na+H"	84.054008
"1002929"	194.992476	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+2ACN+2H"	84.067652
"1597433"	390.885928	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K+HCOOH"	84.968628
"1428562"	420.917438	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+H+CF3COOH"	115.000138
"1162617"	215.505751	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+3ACN+2H"	125.094202
"1702932"	437.943985	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+NH4+CF3COOH"	132.026685
"1640769"	442.89938	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+Na+CF3COOH"	136.98208
"1576419"	458.87332	"C14733"	"2345-Tetrachloro-3-biphenylol;2345-Tetrachloro-3-hydroxybiphenyl"	"C12H6Cl4O"	"305.9173"	"M+K+CF3COOH"	152.95602
"810069"	237.9952	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M"	0
"986885"	218.97681	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H2O-H"	-19.01839
"69664"	157.656190666667	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-3H"	-3.021828
"513598"	236.987924	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-3H"	-3.021828
"891400"	78.3244573333333	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-3H"	-3.021828
"14475"	236.987924	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H"	-2.014552
"449536"	355.985524	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H"	-2.014552
"832325"	117.990324	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H"	-2.014552
"89516"	474.983124	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-H"	-1.007276
"533459"	712.978324	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-H"	-1.007276
"910164"	236.987924	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H"	-1.007276
"62482"	492.009671	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+NH4"	16.019271
"502165"	730.004871	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+NH4"	16.019271
"879561"	254.014471	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+NH4"	16.019271
"46287"	496.965066	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+Na"	20.974666
"485964"	734.960266	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+Na"	20.974666
"859508"	258.969866	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+Na"	20.974666
"1632325"	258.969866	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na-2H"	20.974666
"106301"	254.976263	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-H+Cl"	33.962126
"544038"	373.973863	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-H+Cl"	33.962126
"939740"	135.978663	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+Cl"	33.962126
"273923"	510.959802	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Cl"	34.969402
"669625"	748.955002	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Cl"	34.969402
"1277663"	272.964602	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl"	34.969402
"18032"	512.939006	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+K"	36.948606
"456376"	750.934206	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+K"	36.948606
"844143"	274.943806	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+K"	36.948606
"1567632"	274.943806	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K-2H"	36.948606
"956246"	282.993394	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+HCOOH"	44.998194
"374461"	520.988601	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+HCOOH-H"	44.998201
"356522"	535.004251	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Hac-H"	59.013851
"1498793"	297.009051	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Hac-H"	59.013851
"964146"	304.975351	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+NaCOOH"	66.980151
"118520"	272.964602	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Cl"	69.938804
"559176"	391.962202	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Cl"	69.938804
"1025787"	153.967002	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Cl"	69.938804
"1243178"	316.914085	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Br"	78.918885
"1304890"	318.970072	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+HCOOH"	80.974872
"1321664"	340.952029	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+NaCOOH"	102.956829
"912476"	350.980786	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+CF3COOH"	112.985586
"1301464"	386.957464	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+CF3COOH"	148.962264
"1372333"	202.982524	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H-2H2O"	-35.012676
"1392021"	220.9925	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H-H2O"	-17.0027
"295723"	476.997676	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H"	1.007276
"689966"	714.992876	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H"	1.007276
"1364855"	239.002476	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H"	1.007276
"133369"	239.002476	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2H"	2.014552
"570741"	358.000076	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2H"	2.014552
"1039903"	120.004876	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2H"	2.014552
"207439"	159.670742666667	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+3H"	3.021828
"646998"	239.002476	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+3H"	3.021828
"1163661"	80.3390093333333	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3H"	3.021828
"438255"	494.024223	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+NH4"	18.033823
"798881"	732.019423	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+NH4"	18.033823
"1694486"	256.029023	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4"	18.033823
"340575"	247.5157495	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+NH4"	19.041099
"737372"	366.5133495	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+NH4"	19.041099
"1491191"	128.5181495	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+NH4"	19.041099
"406225"	498.979618	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Na"	22.989218
"766492"	736.974818	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Na"	22.989218
"1615680"	260.984418	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na"	22.989218
"323529"	249.993447	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+Na"	23.996494
"714857"	368.991047	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+Na"	23.996494
"1474875"	130.995847	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+Na"	23.996494
"1065934"	87.6663233333333	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2H+Na"	25.00377
"1269069"	271.028686	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+CH3OH+H"	33.033486
"386550"	514.953558	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+K"	38.963158
"747547"	752.948758	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+K"	38.963158
"1548508"	276.958358	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K"	38.963158
"313918"	257.980417	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+K"	39.970434
"702482"	376.978017	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+K"	39.970434
"1459343"	138.982817	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+K"	39.970434
"246000"	518.024226	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+ACN+H"	42.033826
"1220529"	280.029026	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+H"	42.033826
"1201495"	140.518151	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+2H"	43.041102
"197647"	520.96156	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Na-H"	44.97116
"636114"	758.95676	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Na-H"	44.97116
"1142899"	282.96636	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Na-H"	44.97116
"184003"	260.984418	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Na"	45.978436
"625750"	379.982018	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Na"	45.978436
"1124883"	141.986818	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Na"	45.978436
"1407313"	94.9936373333333	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+2Na"	46.985712
"1439430"	285.007946	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+HCOOH"	47.012746
"224023"	266.01744	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+3H2O+2H"	56.04448
"1511720"	299.05999	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+H"	61.06479
"416881"	268.971388	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Na+K"	61.952376
"780065"	387.968988	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Na+K"	61.952376
"1679682"	149.973788	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+K"	61.952376
"264379"	540.006168	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+ACN+Na"	64.015768
"1238549"	302.010968	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+Na"	64.015768
"1725247"	302.034493	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4+HCOOH"	64.039293
"1186589"	102.320951333333	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3Na"	68.967654
"1659033"	306.989888	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+HCOOH"	68.994688
"164440"	552.90944	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2K-H"	76.91904
"600718"	790.90464	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2K-H"	76.91904
"1091792"	314.91424	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K-H"	76.91904
"146420"	276.958358	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2K"	77.926316
"585980"	395.955958	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2K"	77.926316
"1077060"	157.960758	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K"	77.926316
"1113307"	316.928792	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K+H"	78.933592
"1347751"	317.016407	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+DMSO+H"	79.021207
"1016281"	321.055576	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2ACN+H"	83.060376
"1536593"	322.049208	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+Na+H"	84.054008
"1000852"	161.031426	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2ACN+2H"	84.067652
"1594263"	322.963828	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K+HCOOH"	84.968628
"1427579"	352.995338	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+CF3COOH"	115.000138
"1162605"	181.544701	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3ACN+2H"	125.094202
"1701949"	370.021885	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4+CF3COOH"	132.026685
"1639786"	374.97728	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+CF3COOH"	136.98208
"1575435"	390.95122	"C14734"	"25-Dichloro-3-biphenylol;25-Dichloro-3-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K+CF3COOH"	152.95602
"810179"	237.9952	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M"	0
"988088"	218.97681	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H2O-H"	-19.01839
"75241"	157.656190666667	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-3H"	-3.021828
"516624"	236.987924	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-3H"	-3.021828
"892604"	78.3244573333333	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-3H"	-3.021828
"13735"	236.987924	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H"	-2.014552
"451833"	355.985524	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H"	-2.014552
"832198"	117.990324	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H"	-2.014552
"92424"	474.983124	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-H"	-1.007276
"534064"	712.978324	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-H"	-1.007276
"910400"	236.987924	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H"	-1.007276
"62783"	492.009671	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+NH4"	16.019271
"502682"	730.004871	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+NH4"	16.019271
"879637"	254.014471	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+NH4"	16.019271
"47005"	496.965066	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+Na"	20.974666
"485710"	734.960266	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+Na"	20.974666
"861442"	258.969866	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+Na"	20.974666
"1631343"	258.969866	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na-2H"	20.974666
"107142"	254.976263	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-H+Cl"	33.962126
"544148"	373.973863	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-H+Cl"	33.962126
"939486"	135.978663	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+Cl"	33.962126
"272940"	510.959802	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Cl"	34.969402
"670828"	748.955002	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Cl"	34.969402
"1283237"	272.964602	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl"	34.969402
"22515"	512.939006	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M-2H+K"	36.948606
"465356"	750.934206	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M-2H+K"	36.948606
"844253"	274.943806	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-2H+K"	36.948606
"1563367"	274.943806	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K-2H"	36.948606
"958058"	282.993394	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+HCOOH"	44.998194
"368374"	520.988601	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+HCOOH-H"	44.998201
"358091"	535.004251	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Hac-H"	59.013851
"1499996"	297.009051	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Hac-H"	59.013851
"966444"	304.975351	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+NaCOOH"	66.980151
"115351"	272.964602	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Cl"	69.938804
"559287"	391.962202	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Cl"	69.938804
"1022982"	153.967002	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Cl"	69.938804
"1241580"	316.914085	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Br"	78.918885
"1304474"	318.970072	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+HCOOH"	80.974872
"1321408"	340.952029	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+NaCOOH"	102.956829
"912467"	350.980786	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M-H+CF3COOH"	112.985586
"1299751"	386.957464	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Cl+CF3COOH"	148.962264
"1375724"	202.982524	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H-2H2O"	-35.012676
"1393224"	220.9925	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H-H2O"	-17.0027
"297289"	476.997676	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H"	1.007276
"684239"	714.992876	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H"	1.007276
"1360589"	239.002476	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H"	1.007276
"135666"	239.002476	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2H"	2.014552
"568664"	358.000076	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2H"	2.014552
"1038918"	120.004876	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2H"	2.014552
"205033"	159.670742666667	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+3H"	3.021828
"645283"	239.002476	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+3H"	3.021828
"1163160"	80.3390093333333	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3H"	3.021828
"438727"	494.024223	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+NH4"	18.033823
"800813"	732.019423	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+NH4"	18.033823
"1694589"	256.029023	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4"	18.033823
"345465"	247.5157495	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+NH4"	19.041099
"737358"	366.5133495	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+NH4"	19.041099
"1491665"	128.5181495	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+NH4"	19.041099
"406698"	498.979618	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Na"	22.989218
"768057"	736.974818	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Na"	22.989218
"1612510"	260.984418	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na"	22.989218
"320359"	249.993447	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+Na"	23.996494
"713874"	368.991047	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+Na"	23.996494
"1473893"	130.995847	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+Na"	23.996494
"1064953"	87.6663233333333	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2H+Na"	25.00377
"1269179"	271.028686	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+CH3OH+H"	33.033486
"385567"	514.953558	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+K"	38.963158
"749843"	752.948758	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+K"	38.963158
"1547525"	276.958358	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K"	38.963158
"313829"	257.980417	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+H+K"	39.970434
"702592"	376.978017	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+H+K"	39.970434
"1459332"	138.982817	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+K"	39.970434
"244653"	518.024226	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+ACN+H"	42.033826
"1221003"	280.029026	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+H"	42.033826
"1199419"	140.518151	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+2H"	43.041102
"198850"	520.96156	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Na-H"	44.97116
"638410"	758.95676	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Na-H"	44.97116
"1143009"	282.96636	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Na-H"	44.97116
"186908"	260.984418	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2Na"	45.978436
"625860"	379.982018	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2Na"	45.978436
"1127180"	141.986818	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2Na"	45.978436
"1410704"	94.9936373333333	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+2Na"	46.985712
"1442820"	285.007946	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+HCOOH"	47.012746
"225955"	266.01744	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+3H2O+2H"	56.04448
"1511101"	299.05999	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+H"	61.06479
"419177"	268.971388	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+Na+K"	61.952376
"781997"	387.968988	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+Na+K"	61.952376
"1679064"	149.973788	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+K"	61.952376
"263033"	540.006168	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+ACN+Na"	64.015768
"1237564"	302.010968	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+ACN+Na"	64.015768
"1724993"	302.034493	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4+HCOOH"	64.039293
"1187065"	102.320951333333	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3Na"	68.967654
"1656956"	306.989888	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+HCOOH"	68.994688
"166372"	552.90944	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2K-H"	76.91904
"601922"	790.90464	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2K-H"	76.91904
"1090808"	314.91424	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K-H"	76.91904
"146530"	276.958358	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"2M+2K"	77.926316
"587183"	395.955958	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"3M+2K"	77.926316
"1079356"	157.960758	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K"	77.926316
"1113175"	316.928792	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2K+H"	78.933592
"1347861"	317.016407	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+DMSO+H"	79.021207
"1018578"	321.055576	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2ACN+H"	83.060376
"1536703"	322.049208	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+IsoProp+Na+H"	84.054008
"998776"	161.031426	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+2ACN+2H"	84.067652
"1595466"	322.963828	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K+HCOOH"	84.968628
"1426595"	352.995338	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+H+CF3COOH"	115.000138
"1161865"	181.544701	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+3ACN+2H"	125.094202
"1702059"	370.021885	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+NH4+CF3COOH"	132.026685
"1642083"	374.97728	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+Na+CF3COOH"	136.98208
"1575545"	390.95122	"C14736"	"25-Dichloro-2-biphenylol;25-Dichloro-2-hydroxybiphenyl"	"C12H8Cl2O"	"237.9952"	"M+K+CF3COOH"	152.95602
"810289"	271.9562	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M"	0
"988198"	252.93781	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-H2O-H"	-19.01839
"76444"	180.296857333333	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M-3H"	-3.021828
"514910"	270.948924	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M-3H"	-3.021828
"892714"	89.6447906666667	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-3H"	-3.021828
"15259"	270.948924	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M-2H"	-2.014552
"455472"	406.927024	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M-2H"	-2.014552
"832593"	134.970824	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-2H"	-2.014552
"93279"	542.905124	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M-H"	-1.007276
"533569"	814.861324	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M-H"	-1.007276
"910642"	270.948924	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-H"	-1.007276
"61734"	559.931671	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M-2H+NH4"	16.019271
"502024"	831.887871	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M-2H+NH4"	16.019271
"878613"	287.975471	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-2H+NH4"	16.019271
"45783"	564.887066	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M-2H+Na"	20.974666
"485950"	836.843266	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M-2H+Na"	20.974666
"863421"	292.930866	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-2H+Na"	20.974666
"1633805"	292.930866	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Na-2H"	20.974666
"107251"	288.937263	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M-H+Cl"	33.962126
"545352"	424.915363	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M-H+Cl"	33.962126
"941664"	152.959163	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-H+Cl"	33.962126
"279612"	578.881802	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+Cl"	34.969402
"670938"	850.838002	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+Cl"	34.969402
"1283347"	306.925602	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Cl"	34.969402
"24812"	580.861006	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M-2H+K"	36.948606
"468747"	852.817206	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M-2H+K"	36.948606
"844363"	308.904806	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-2H+K"	36.948606
"1563477"	308.904806	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+K-2H"	36.948606
"957081"	316.954394	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-H+HCOOH"	44.998194
"375774"	588.910601	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+HCOOH-H"	44.998201
"357834"	602.926251	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+Hac-H"	59.013851
"1507405"	330.970051	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Hac-H"	59.013851
"970927"	338.936351	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-H+NaCOOH"	66.980151
"124453"	306.925602	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+2Cl"	69.938804
"556117"	442.903702	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+2Cl"	69.938804
"1031476"	170.947502	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2Cl"	69.938804
"1247773"	350.875085	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Br"	78.918885
"1305847"	352.931072	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Cl+HCOOH"	80.974872
"1322613"	374.913029	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Cl+NaCOOH"	102.956829
"912574"	384.941786	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M-H+CF3COOH"	112.985586
"1296579"	420.918464	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Cl+CF3COOH"	148.962264
"1376928"	236.943524	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H-2H2O"	-35.012676
"1395157"	254.9535	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H-H2O"	-17.0027
"297036"	544.919676	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+H"	1.007276
"688360"	816.875876	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+H"	1.007276
"1365439"	272.963476	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H"	1.007276
"135775"	272.963476	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+2H"	2.014552
"572055"	408.941576	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+2H"	2.014552
"1038663"	136.985376	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2H"	2.014552
"204742"	182.311409333333	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+3H"	3.021828
"646121"	272.963476	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+3H"	3.021828
"1163758"	91.6593426666667	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+3H"	3.021828
"438842"	561.946223	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+NH4"	18.033823
"799835"	833.902423	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+NH4"	18.033823
"1695801"	289.990023	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+NH4"	18.033823
"344807"	281.4767495	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+H+NH4"	19.041099
"737831"	417.4548495	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+H+NH4"	19.041099
"1492345"	145.4986495	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H+NH4"	19.041099
"408349"	566.901618	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+Na"	22.989218
"769586"	838.857818	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+Na"	22.989218
"1617363"	294.945418	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Na"	22.989218
"329222"	283.954447	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+H+Na"	23.996494
"713984"	419.932547	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+H+Na"	23.996494
"1472178"	147.976347	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H+Na"	23.996494
"1064331"	98.9866566666667	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2H+Na"	25.00377
"1263821"	304.989686	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+CH3OH+H"	33.033486
"384583"	582.875558	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+K"	38.963158
"745579"	854.831758	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+K"	38.963158
"1550914"	310.919358	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+K"	38.963158
"306998"	291.941417	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+H+K"	39.970434
"705254"	427.919517	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+H+K"	39.970434
"1459806"	155.963317	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H+K"	39.970434
"248408"	585.946226	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+ACN+H"	42.033826
"1217836"	313.990026	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+ACN+H"	42.033826
"1198801"	157.498651	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+ACN+2H"	43.041102
"191308"	588.88356	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+2Na-H"	44.97116
"630865"	860.83976	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+2Na-H"	44.97116
"1134738"	316.92736	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2Na-H"	44.97116
"179850"	294.945418	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+2Na"	45.978436
"626699"	430.923518	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+2Na"	45.978436
"1126194"	158.967318	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2Na"	45.978436
"1404250"	106.313970666667	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H+2Na"	46.985712
"1434542"	318.968946	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H+HCOOH"	47.012746
"233360"	299.97844	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+3H2O+2H"	56.04448
"1515224"	333.02099	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+IsoProp+H"	61.06479
"418194"	302.932388	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+Na+K"	61.952376
"781378"	438.910488	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+Na+K"	61.952376
"1680513"	166.954288	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Na+K"	61.952376
"266306"	607.928168	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+ACN+Na"	64.015768
"1239381"	335.971968	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+ACN+Na"	64.015768
"1726805"	335.995493	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+NH4+HCOOH"	64.039293
"1192646"	113.641284666667	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+3Na"	68.967654
"1663632"	340.950888	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Na+HCOOH"	68.994688
"171221"	620.83144	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+2K-H"	76.91904
"606771"	892.78764	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+2K-H"	76.91904
"1094199"	348.87524	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2K-H"	76.91904
"151013"	310.919358	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"2M+2K"	77.926316
"588387"	446.897458	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"3M+2K"	77.926316
"1077279"	174.941258	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2K"	77.926316
"1109396"	350.889792	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2K+H"	78.933592
"1350164"	350.977407	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+DMSO+H"	79.021207
"1021213"	355.016576	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2ACN+H"	83.060376
"1538883"	356.010208	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+IsoProp+Na+H"	84.054008
"1001074"	178.011926	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+2ACN+2H"	84.067652
"1599952"	356.924828	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+K+HCOOH"	84.968628
"1426705"	386.956338	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+H+CF3COOH"	115.000138
"1160274"	198.525201	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+3ACN+2H"	125.094202
"1707637"	403.982885	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+NH4+CF3COOH"	132.026685
"1636726"	408.93828	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+Na+CF3COOH"	136.98208
"1573469"	424.91222	"C14737"	"435-Trichloro-4-biphenol;345-Trichloro-4-biphenylol"	"C12H7Cl3O"	"271.9562"	"M+K+CF3COOH"	152.95602
"810399"	268.1463	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M"	0
"988552"	249.12791	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-H2O-H"	-19.01839
"75456"	177.756924	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M-3H"	-3.021828
"507363"	267.139024	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M-3H"	-3.021828
"881885"	88.374824	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-3H"	-3.021828
"8118"	267.139024	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M-2H"	-2.014552
"453147"	401.212174	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M-2H"	-2.014552
"832612"	133.065874	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-2H"	-2.014552
"89846"	535.285324	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M-H"	-1.007276
"533304"	803.431624	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M-H"	-1.007276
"911303"	267.139024	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-H"	-1.007276
"62607"	552.311871	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M-2H+NH4"	16.019271
"502707"	820.458171	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M-2H+NH4"	16.019271
"879493"	284.165571	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-2H+NH4"	16.019271
"46867"	557.267266	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M-2H+Na"	20.974666
"486709"	825.413566	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M-2H+Na"	20.974666
"864016"	289.120966	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-2H+Na"	20.974666
"1633263"	289.120966	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Na-2H"	20.974666
"105903"	285.127363	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M-H+Cl"	33.962126
"549680"	419.200513	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M-H+Cl"	33.962126
"940072"	151.054213	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-H+Cl"	33.962126
"279720"	571.262002	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+Cl"	34.969402
"671048"	839.408302	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+Cl"	34.969402
"1277989"	303.115702	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Cl"	34.969402
"24922"	573.241206	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M-2H+K"	36.948606
"468857"	841.387506	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M-2H+K"	36.948606
"844473"	305.094906	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-2H+K"	36.948606
"1563587"	305.094906	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+K-2H"	36.948606
"958363"	313.144494	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-H+HCOOH"	44.998194
"374426"	581.290801	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+HCOOH-H"	44.998201
"355757"	595.306451	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+Hac-H"	59.013851
"1507999"	327.160151	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Hac-H"	59.013851
"971037"	335.126451	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-H+NaCOOH"	66.980151
"125292"	303.115702	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+2Cl"	69.938804
"556227"	437.188852	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+2Cl"	69.938804
"1028306"	169.042552	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2Cl"	69.938804
"1243510"	347.065185	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Br"	78.918885
"1305957"	349.121172	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Cl+HCOOH"	80.974872
"1322359"	371.103129	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Cl+NaCOOH"	102.956829
"912685"	381.131886	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M-H+CF3COOH"	112.985586
"1294503"	417.108564	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Cl+CF3COOH"	148.962264
"1378131"	233.133624	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H-2H2O"	-35.012676
"1393080"	251.1436	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H-H2O"	-17.0027
"295689"	537.299876	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+H"	1.007276
"687742"	805.446176	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+H"	1.007276
"1364094"	269.153576	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H"	1.007276
"135885"	269.153576	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+2H"	2.014552
"573258"	403.226726	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+2H"	2.014552
"1038045"	135.080426	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2H"	2.014552
"204852"	179.771476	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+3H"	3.021828
"645503"	269.153576	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+3H"	3.021828
"1165813"	90.389376	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+3H"	3.021828
"438101"	554.326423	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+NH4"	18.033823
"799584"	822.472723	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+NH4"	18.033823
"1695912"	286.180123	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+NH4"	18.033823
"343823"	277.6668495	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+H+NH4"	19.041099
"736605"	411.7399995	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+H+NH4"	19.041099
"1491886"	143.5936995	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H+NH4"	19.041099
"406552"	559.281818	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+Na"	22.989218
"769846"	827.428118	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+Na"	22.989218
"1616010"	291.135518	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Na"	22.989218
"329818"	280.144547	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+H+Na"	23.996494
"715187"	414.217697	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+H+Na"	23.996494
"1465726"	146.071397	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H+Na"	23.996494
"1065899"	97.71669	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2H+Na"	25.00377
"1261744"	301.179786	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+CH3OH+H"	33.033486
"382507"	575.255758	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+K"	38.963158
"744595"	843.402058	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+K"	38.963158
"1553210"	307.109458	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+K"	38.963158
"307107"	288.131517	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+H+K"	39.970434
"706457"	422.204667	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+H+K"	39.970434
"1460279"	154.058367	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H+K"	39.970434
"246328"	578.326426	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+ACN+H"	42.033826
"1213570"	310.180126	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+ACN+H"	42.033826
"1198547"	155.593701	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+ACN+2H"	43.041102
"191418"	581.26376	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+2Na-H"	44.97116
"632071"	849.41006	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+2Na-H"	44.97116
"1134484"	313.11746	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2Na-H"	44.97116
"179960"	291.135518	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+2Na"	45.978436
"627539"	425.208668	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+2Na"	45.978436
"1126304"	157.062368	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2Na"	45.978436
"1405453"	105.044004	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H+2Na"	46.985712
"1435381"	315.159046	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H+HCOOH"	47.012746
"230554"	296.16854	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+3H2O+2H"	56.04448
"1514604"	329.21109	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+IsoProp+H"	61.06479
"415020"	299.122488	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+Na+K"	61.952376
"777112"	433.195638	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+Na+K"	61.952376
"1679647"	165.049338	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Na+K"	61.952376
"265081"	600.308368	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+ACN+Na"	64.015768
"1239242"	332.162068	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+ACN+Na"	64.015768
"1727521"	332.185593	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+NH4+HCOOH"	64.039293
"1192389"	112.371318	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+3Na"	68.967654
"1662281"	337.140988	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Na+HCOOH"	68.994688
"168780"	613.21164	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+2K-H"	76.91904
"608703"	881.35794	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+2K-H"	76.91904
"1091028"	345.06534	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2K-H"	76.91904
"150030"	307.109458	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"2M+2K"	77.926316
"586311"	441.182608	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"3M+2K"	77.926316
"1079576"	173.036308	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2K"	77.926316
"1109506"	347.079892	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2K+H"	78.933592
"1350516"	347.167507	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+DMSO+H"	79.021207
"1021242"	351.206676	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2ACN+H"	83.060376
"1539597"	352.200308	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+IsoProp+Na+H"	84.054008
"1001184"	176.106976	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+2ACN+2H"	84.067652
"1599698"	353.114928	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+K+HCOOH"	84.968628
"1426451"	383.146438	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+H+CF3COOH"	115.000138
"1157101"	196.620251	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+3ACN+2H"	125.094202
"1701186"	400.172985	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+NH4+CF3COOH"	132.026685
"1637929"	405.12838	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+Na+CF3COOH"	136.98208
"1573579"	421.10232	"C14738"	"Indanestrol"	"C18H20O2"	"268.1463"	"M+K+CF3COOH"	152.95602
"810509"	300.1362	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M"	0
"988419"	281.11781	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-H2O-H"	-19.01839
"75566"	199.083524	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M-3H"	-3.021828
"507473"	299.128924	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M-3H"	-3.021828
"883088"	99.038124	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-3H"	-3.021828
"8228"	299.128924	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M-2H"	-2.014552
"453257"	449.197024	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M-2H"	-2.014552
"831058"	149.060824	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-2H"	-2.014552
"92876"	599.265124	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M-H"	-1.007276
"534165"	899.401324	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M-H"	-1.007276
"911316"	299.128924	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-H"	-1.007276
"62683"	616.291671	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M-2H+NH4"	16.019271
"501878"	916.427871	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M-2H+NH4"	16.019271
"879718"	316.155471	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-2H+NH4"	16.019271
"47040"	621.247066	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M-2H+Na"	20.974666
"486940"	921.383266	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M-2H+Na"	20.974666
"863841"	321.110866	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-2H+Na"	20.974666
"1632766"	321.110866	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Na-2H"	20.974666
"109174"	317.117263	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M-H+Cl"	33.962126
"547397"	467.185363	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M-H+Cl"	33.962126
"940182"	167.049163	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-H+Cl"	33.962126
"278739"	635.241802	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+Cl"	34.969402
"671158"	935.378002	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+Cl"	34.969402
"1274206"	335.105602	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Cl"	34.969402
"25032"	637.221006	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M-2H+K"	36.948606
"468967"	937.357206	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M-2H+K"	36.948606
"844583"	337.084806	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-2H+K"	36.948606
"1563697"	337.084806	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+K-2H"	36.948606
"958187"	345.134394	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-H+HCOOH"	44.998194
"374900"	645.270601	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+HCOOH-H"	44.998201
"356960"	659.286251	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+Hac-H"	59.013851
"1508070"	359.150051	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Hac-H"	59.013851
"971876"	367.116351	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-H+NaCOOH"	66.980151
"123337"	335.105602	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+2Cl"	69.938804
"562897"	485.173702	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+2Cl"	69.938804
"1028416"	185.037502	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2Cl"	69.938804
"1242892"	379.055085	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Br"	78.918885
"1306431"	381.111072	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Cl+HCOOH"	80.974872
"1321011"	403.093029	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Cl+NaCOOH"	102.956829
"912067"	413.121786	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M-H+CF3COOH"	112.985586
"1296801"	449.098464	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Cl+CF3COOH"	148.962264
"1370586"	265.123524	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H-2H2O"	-35.012676
"1394647"	283.1335	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H-H2O"	-17.0027
"296528"	601.279676	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+H"	1.007276
"686757"	901.415876	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+H"	1.007276
"1364935"	301.143476	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H"	1.007276
"135995"	301.143476	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+2H"	2.014552
"573368"	451.211576	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+2H"	2.014552
"1038519"	151.075376	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2H"	2.014552
"206907"	201.098076	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+3H"	3.021828
"645977"	301.143476	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+3H"	3.021828
"1165923"	101.052676	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+3H"	3.021828
"438695"	618.306223	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+NH4"	18.033823
"799325"	918.442423	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+NH4"	18.033823
"1696021"	318.170023	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+NH4"	18.033823
"343933"	309.6567495	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+H+NH4"	19.041099
"735985"	459.7248495	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+H+NH4"	19.041099
"1489804"	159.5886495	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H+NH4"	19.041099
"406662"	623.261618	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+Na"	22.989218
"764741"	923.397818	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+Na"	22.989218
"1616364"	323.125418	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Na"	22.989218
"329320"	312.134447	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+H+Na"	23.996494
"715297"	462.202547	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+H+Na"	23.996494
"1463650"	162.066347	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H+Na"	23.996494
"1063457"	108.37999	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2H+Na"	25.00377
"1259667"	333.169686	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+CH3OH+H"	33.033486
"382616"	639.235558	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+K"	38.963158
"745798"	939.371758	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+K"	38.963158
"1552228"	339.099358	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+K"	38.963158
"305029"	320.121417	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+H+K"	39.970434
"704015"	470.189517	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+H+K"	39.970434
"1457837"	170.053317	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H+K"	39.970434
"245344"	642.306226	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+ACN+H"	42.033826
"1214773"	342.170026	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+ACN+H"	42.033826
"1197564"	171.588651	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+ACN+2H"	43.041102
"191528"	645.24356	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+2Na-H"	44.97116
"632545"	945.37976	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+2Na-H"	44.97116
"1135321"	345.10736	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2Na-H"	44.97116
"181162"	323.125418	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+2Na"	45.978436
"627653"	473.193518	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+2Na"	45.978436
"1125320"	173.057318	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2Na"	45.978436
"1404469"	115.707304	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H+2Na"	46.985712
"1435855"	347.148946	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H+HCOOH"	47.012746
"230664"	328.15844	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+3H2O+2H"	56.04448
"1514714"	361.20099	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+IsoProp+H"	61.06479
"414765"	331.112388	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+Na+K"	61.952376
"777222"	481.180488	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+Na+K"	61.952376
"1676834"	181.044288	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Na+K"	61.952376
"264091"	664.288168	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+ACN+Na"	64.015768
"1237892"	364.151968	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+ACN+Na"	64.015768
"1727510"	364.175493	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+NH4+HCOOH"	64.039293
"1191773"	123.034618	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+3Na"	68.967654
"1663485"	369.130888	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Na+HCOOH"	68.994688
"170348"	677.19144	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+2K-H"	76.91904
"608813"	977.32764	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+2K-H"	76.91904
"1092231"	377.05524	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2K-H"	76.91904
"149776"	339.099358	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"2M+2K"	77.926316
"586421"	489.167458	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"3M+2K"	77.926316
"1078593"	189.031258	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2K"	77.926316
"1109616"	379.069792	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2K+H"	78.933592
"1350746"	379.157407	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+DMSO+H"	79.021207
"1021150"	383.196576	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2ACN+H"	83.060376
"1539585"	384.190208	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+IsoProp+Na+H"	84.054008
"1002387"	192.101926	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+2ACN+2H"	84.067652
"1600172"	385.104828	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+K+HCOOH"	84.968628
"1423645"	415.136338	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+H+CF3COOH"	115.000138
"1157211"	212.615201	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+3ACN+2H"	125.094202
"1701296"	432.162885	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+NH4+CF3COOH"	132.026685
"1640226"	437.11828	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+Na+CF3COOH"	136.98208
"1573689"	453.09222	"C14739"	"alphaalpha-Diethyl-3434-stilbenetetraol;3434-Tetrahydroxy-alphaalpha-diethylstilbene"	"C18H20O4"	"300.1362"	"M+K+CF3COOH"	152.95602
"810619"	284.1412	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M"	0
"988529"	265.12281	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-H2O-H"	-19.01839
"73490"	188.420190666667	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M-3H"	-3.021828
"507583"	283.133924	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M-3H"	-3.021828
"881010"	93.7064573333333	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-3H"	-3.021828
"10526"	283.133924	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M-2H"	-2.014552
"454828"	425.204524	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M-2H"	-2.014552
"831538"	141.063324	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-2H"	-2.014552
"93109"	567.275124	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M-H"	-1.007276
"534094"	851.416324	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M-H"	-1.007276
"909993"	283.133924	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-H"	-1.007276
"62063"	584.301671	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M-2H+NH4"	16.019271
"501257"	868.442871	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M-2H+NH4"	16.019271
"877846"	300.160471	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-2H+NH4"	16.019271
"45624"	589.257066	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M-2H+Na"	20.974666
"486277"	873.398266	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M-2H+Na"	20.974666
"862493"	305.115866	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-2H+Na"	20.974666
"1632999"	305.115866	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Na-2H"	20.974666
"108070"	301.122263	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M-H+Cl"	33.962126
"548480"	443.192863	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M-H+Cl"	33.962126
"937014"	159.051663	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-H+Cl"	33.962126
"279942"	603.251802	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+Cl"	34.969402
"671268"	887.393002	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+Cl"	34.969402
"1274925"	319.110602	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Cl"	34.969402
"16024"	605.231006	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M-2H+K"	36.948606
"462514"	889.372206	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M-2H+K"	36.948606
"842505"	321.089806	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-2H+K"	36.948606
"1563807"	321.089806	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+K-2H"	36.948606
"953878"	329.139394	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-H+HCOOH"	44.998194
"371728"	613.280601	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+HCOOH-H"	44.998201
"357070"	627.296251	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+Hac-H"	59.013851
"1502621"	343.155051	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Hac-H"	59.013851
"969069"	351.121351	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-H+NaCOOH"	66.980151
"123447"	319.110602	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+2Cl"	69.938804
"559725"	461.181202	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+2Cl"	69.938804
"1025245"	177.040002	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2Cl"	69.938804
"1242638"	363.060085	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Br"	78.918885
"1306177"	365.116072	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Cl+HCOOH"	80.974872
"1321486"	387.098029	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Cl+NaCOOH"	102.956829
"911457"	397.126786	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M-H+CF3COOH"	112.985586
"1294722"	433.103464	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Cl+CF3COOH"	148.962264
"1371789"	249.128524	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H-2H2O"	-35.012676
"1394393"	267.1385	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H-H2O"	-17.0027
"296275"	569.289676	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+H"	1.007276
"686503"	853.430876	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+H"	1.007276
"1366018"	285.148476	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H"	1.007276
"135012"	285.148476	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+2H"	2.014552
"573478"	427.219076	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+2H"	2.014552
"1040449"	143.077876	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2H"	2.014552
"206895"	190.434742666667	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+3H"	3.021828
"647546"	285.148476	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+3H"	3.021828
"1166033"	95.7210093333334	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+3H"	3.021828
"438074"	586.316223	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+NH4"	18.033823
"799801"	870.457423	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+NH4"	18.033823
"1694673"	302.175023	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+NH4"	18.033823
"344043"	293.6617495	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+H+NH4"	19.041099
"735367"	435.7323495	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+H+NH4"	19.041099
"1486269"	151.5911495	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H+NH4"	19.041099
"406042"	591.271618	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+Na"	22.989218
"764851"	875.412818	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+Na"	22.989218
"1615502"	307.130418	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Na"	22.989218
"317517"	296.139447	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+H+Na"	23.996494
"709937"	438.210047	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+H+Na"	23.996494
"1463754"	154.068847	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H+Na"	23.996494
"1055905"	103.048323333333	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2H+Na"	25.00377
"1260868"	317.174686	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+CH3OH+H"	33.033486
"380535"	607.245558	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+K"	38.963158
"743721"	891.386758	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+K"	38.963158
"1553796"	323.104358	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+K"	38.963158
"311699"	304.126417	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+H+K"	39.970434
"701938"	446.197017	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+H+K"	39.970434
"1456490"	162.055817	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H+K"	39.970434
"245454"	610.316226	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+ACN+H"	42.033826
"1213789"	326.175026	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+ACN+H"	42.033826
"1198768"	163.591151	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+ACN+2H"	43.041102
"193824"	613.25356	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+2Na-H"	44.97116
"641038"	897.39476	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+2Na-H"	44.97116
"1145520"	329.11236	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2Na-H"	44.97116
"181273"	307.130418	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+2Na"	45.978436
"623019"	449.201018	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+2Na"	45.978436
"1126523"	165.059818	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2Na"	45.978436
"1404579"	110.375637333333	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H+2Na"	46.985712
"1438517"	331.153946	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H+HCOOH"	47.012746
"228587"	312.16344	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+3H2O+2H"	56.04448
"1513366"	345.20599	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+IsoProp+H"	61.06479
"415240"	315.117388	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+Na+K"	61.952376
"780611"	457.187988	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+Na+K"	61.952376
"1675851"	173.046788	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Na+K"	61.952376
"264932"	632.298168	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+ACN+Na"	64.015768
"1239097"	348.156968	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+ACN+Na"	64.015768
"1727498"	348.180493	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+NH4+HCOOH"	64.039293
"1193095"	117.702951333333	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+3Na"	68.967654
"1659220"	353.135888	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Na+HCOOH"	68.994688
"168268"	645.20144	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+2K-H"	76.91904
"606736"	929.34264	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+2K-H"	76.91904
"1088332"	361.06024	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2K-H"	76.91904
"149158"	323.104358	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"2M+2K"	77.926316
"585438"	465.174958	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"3M+2K"	77.926316
"1078703"	181.033758	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2K"	77.926316
"1109725"	363.074792	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2K+H"	78.933592
"1350492"	363.162407	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+DMSO+H"	79.021207
"1021180"	367.201576	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2ACN+H"	83.060376
"1538603"	368.195208	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+IsoProp+Na+H"	84.054008
"1003592"	184.104426	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+2ACN+2H"	84.067652
"1599189"	369.109828	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+K+HCOOH"	84.968628
"1427764"	399.141338	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+H+CF3COOH"	115.000138
"1160239"	204.617701	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+3ACN+2H"	125.094202
"1704686"	416.167885	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+NH4+CF3COOH"	132.026685
"1642523"	421.12328	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+Na+CF3COOH"	136.98208
"1573799"	437.09722	"C14740"	"alphaalpha-Diethyl-344-stilbenetriol;344-Trihydroxy-alphaalpha-diethylstilbene;(E)-4-1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl-12-benzenediol"	"C18H20O3"	"284.1412"	"M+K+CF3COOH"	152.95602
"810729"	150.1045	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M"	0
"987910"	131.08611	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"73600"	99.0623906666667	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"508786"	149.097224	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"881120"	49.0275573333333	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"7356"	149.097224	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"454941"	224.149474	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"832015"	74.044974	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"93340"	299.201724	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"533151"	449.306224	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"909979"	149.097224	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"60104"	316.228271	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"499663"	466.332771	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"873823"	166.123771	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"43545"	321.183666	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"483467"	471.288166	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"861266"	171.079166	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1629706"	171.079166	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"102955"	167.085563	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"541424"	242.137813	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"938215"	92.033313	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"276770"	335.178402	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"668097"	485.282902	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1272982"	185.073902	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"16378"	337.157606	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"462624"	487.262106	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"837146"	187.053106	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1557353"	187.053106	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"950706"	195.102694	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"371838"	345.207201	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"352805"	359.222851	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1498356"	209.118351	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"968815"	217.084651	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"123556"	185.073902	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"556554"	260.126152	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1024261"	110.021652	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1246026"	229.023385	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1304461"	231.079372	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1321959"	253.061329	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"912407"	263.090086	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1295925"	299.066764	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1372992"	115.091824	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1394867"	133.1018	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"295649"	301.216276	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"685882"	451.320776	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1364787"	151.111776	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H"	1.007276
"136215"	151.111776	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"573588"	226.164026	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1039103"	76.059526	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"207370"	101.076942666667	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"646198"	151.111776	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1164077"	51.0421093333333	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"438547"	318.242823	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"799548"	468.347323	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1695146"	168.138323	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"344517"	159.6250495	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"735841"	234.6772995	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1486379"	84.5727995	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"406152"	323.198218	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"764961"	473.302718	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1615613"	173.093718	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"319813"	162.102747	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"710047"	237.154997	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1464958"	87.050497	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1055286"	58.3694233333333	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1264258"	183.137986	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"380646"	339.172158	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"742738"	489.276658	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1554270"	189.067658	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+K"	38.963158
"313919"	170.089717	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"702048"	245.141967	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1457329"	95.037467	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"245564"	342.242826	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1213898"	192.138326	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1199970"	96.572801	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"191019"	345.18016	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"641148"	495.28466	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1143196"	195.07566	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"183570"	173.093718	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"624223"	248.145968	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1126269"	98.041468	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1404689"	65.6967373333333	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1438991"	197.117246	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"223590"	178.12674	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1514569"	211.16929	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"415350"	181.080688	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"775980"	256.132938	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1672681"	106.028438	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"263945"	364.224768	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1237019"	214.120268	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1727121"	214.143793	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1189072"	73.0240513333333	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1661517"	219.099188	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"169472"	377.12804	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"605754"	527.23254	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1094639"	227.02354	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"151456"	189.067658	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"583482"	264.119908	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1076626"	114.015408	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1109835"	229.038092	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1350603"	229.125707	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1021230"	233.164876	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1537982"	234.158508	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1004677"	117.086076	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1598206"	235.073128	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1426052"	265.104638	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1161322"	137.599351	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1708077"	282.131185	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1640446"	287.08658	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1571722"	303.06052	"C14741"	"4-Isopropyl-3-methylphenol;4-Isopropyl-m-cresol;o-Cymen-5y-ol"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"809746"	198.0793	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M"	0
"989113"	179.06091	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-H2O-H"	-19.01839
"76990"	131.045590666667	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M-3H"	-3.021828
"508896"	197.072024	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M-3H"	-3.021828
"882323"	65.0191573333333	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-3H"	-3.021828
"10746"	197.072024	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M-2H"	-2.014552
"455413"	296.111674	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M-2H"	-2.014552
"831146"	98.032374	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-2H"	-2.014552
"93084"	395.151324	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M-H"	-1.007276
"532897"	593.230624	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M-H"	-1.007276
"910333"	197.072024	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-H"	-1.007276
"61429"	412.177871	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M-2H+NH4"	16.019271
"499777"	610.257171	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M-2H+NH4"	16.019271
"876120"	214.098571	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-2H+NH4"	16.019271
"44022"	417.133266	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M-2H+Na"	20.974666
"482485"	615.212566	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M-2H+Na"	20.974666
"860284"	219.053966	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-2H+Na"	20.974666
"1628723"	219.053966	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Na-2H"	20.974666
"106345"	215.060363	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M-H+Cl"	33.962126
"544813"	314.100013	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M-H+Cl"	33.962126
"936140"	116.020713	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-H+Cl"	33.962126
"276880"	431.128002	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+Cl"	34.969402
"668207"	629.207302	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+Cl"	34.969402
"1281708"	233.048702	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Cl"	34.969402
"16365"	433.107206	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M-2H+K"	36.948606
"457016"	631.186506	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M-2H+K"	36.948606
"837256"	235.027906	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-2H+K"	36.948606
"1557827"	235.027906	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+K-2H"	36.948606
"948629"	243.077494	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-H+HCOOH"	44.998194
"372312"	441.156801	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+HCOOH-H"	44.998201
"352915"	455.172451	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+Hac-H"	59.013851
"1503934"	257.093151	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Hac-H"	59.013851
"968925"	265.059451	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-H+NaCOOH"	66.980151
"125246"	233.048702	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+2Cl"	69.938804
"563225"	332.088352	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+2Cl"	69.938804
"1028746"	134.009052	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2Cl"	69.938804
"1246136"	276.998185	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Br"	78.918885
"1304934"	279.054172	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Cl+HCOOH"	80.974872
"1321706"	301.036129	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Cl+NaCOOH"	102.956829
"912395"	311.064886	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M-H+CF3COOH"	112.985586
"1293120"	347.041564	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Cl+CF3COOH"	148.962264
"1372009"	163.066624	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H-2H2O"	-35.012676
"1395345"	181.0766	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H-H2O"	-17.0027
"295759"	397.165876	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+H"	1.007276
"684899"	595.245176	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+H"	1.007276
"1366355"	199.086576	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H"	1.007276
"136326"	199.086576	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+2H"	2.014552
"572605"	298.126226	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+2H"	2.014552
"1039577"	100.046926	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2H"	2.014552
"207844"	133.060142666667	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+3H"	3.021828
"646673"	199.086576	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+3H"	3.021828
"1163579"	67.0337093333333	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+3H"	3.021828
"437199"	414.192423	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+NH4"	18.033823
"797464"	612.271723	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+NH4"	18.033823
"1695619"	216.113123	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+NH4"	18.033823
"343166"	207.5998495	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+H+NH4"	19.041099
"735586"	306.6394995	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+H+NH4"	19.041099
"1486489"	108.5601995	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H+NH4"	19.041099
"405898"	419.147818	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+Na"	22.989218
"765071"	617.227118	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+Na"	22.989218
"1616086"	221.068518	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Na"	22.989218
"318830"	210.077547	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+H+Na"	23.996494
"710157"	309.117197	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+H+Na"	23.996494
"1463976"	111.037897	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H+Na"	23.996494
"1053573"	74.3610233333333	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2H+Na"	25.00377
"1264369"	231.112786	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+CH3OH+H"	33.033486
"381851"	435.121758	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+K"	38.963158
"750140"	633.201058	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+K"	38.963158
"1554745"	237.042458	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+K"	38.963158
"312284"	218.064517	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+H+K"	39.970434
"702158"	317.104167	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+H+K"	39.970434
"1453794"	119.024867	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H+K"	39.970434
"242395"	438.192426	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+ACN+H"	42.033826
"1213282"	240.113126	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+ACN+H"	42.033826
"1200081"	120.560201	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+ACN+2H"	43.041102
"191857"	441.12976	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+2Na-H"	44.97116
"641258"	639.20906	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+2Na-H"	44.97116
"1143670"	243.05046	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2Na-H"	44.97116
"185502"	221.068518	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+2Na"	45.978436
"625061"	320.108168	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+2Na"	45.978436
"1125650"	122.028868	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2Na"	45.978436
"1404799"	81.6883373333333	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H+2Na"	46.985712
"1438008"	245.092046	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H+HCOOH"	47.012746
"221513"	226.10154	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+3H2O+2H"	56.04448
"1512492"	259.14409	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+IsoProp+H"	61.06479
"415460"	229.055488	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+Na+K"	61.952376
"775362"	328.095138	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+Na+K"	61.952376
"1673884"	130.015838	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Na+K"	61.952376
"264055"	460.174368	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+ACN+Na"	64.015768
"1236400"	262.095068	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+ACN+Na"	64.015768
"1726866"	262.118593	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+NH4+HCOOH"	64.039293
"1190639"	89.0156513333333	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+3Na"	68.967654
"1660533"	267.073988	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Na+HCOOH"	68.994688
"169585"	473.07764	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+2K-H"	76.91904
"608050"	671.15694	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+2K-H"	76.91904
"1095844"	274.99834	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2K-H"	76.91904
"151566"	237.042458	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"2M+2K"	77.926316
"585658"	336.082108	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"3M+2K"	77.926316
"1076736"	138.002808	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2K"	77.926316
"1111038"	277.012892	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2K+H"	78.933592
"1350714"	277.100507	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+DMSO+H"	79.021207
"1020948"	281.139676	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2ACN+H"	83.060376
"1538335"	282.133308	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+IsoProp+Na+H"	84.054008
"1005394"	141.073476	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+2ACN+2H"	84.067652
"1599409"	283.047928	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+K+HCOOH"	84.968628
"1426162"	313.079438	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+H+CF3COOH"	115.000138
"1161431"	161.586751	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+3ACN+2H"	125.094202
"1704907"	330.105985	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+NH4+CF3COOH"	132.026685
"1640556"	335.06138	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+Na+CF3COOH"	136.98208
"1572925"	351.03532	"C14742"	"N-Nitrosodiphenylamine"	"C12H10N2O"	"198.0793"	"M+K+CF3COOH"	152.95602
"809856"	138.1045	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M"	0
"986670"	119.08611	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-H2O-H"	-19.01839
"77100"	91.0623906666667	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M-3H"	-3.021828
"511193"	137.097224	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M-3H"	-3.021828
"882068"	45.0275573333333	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-3H"	-3.021828
"8669"	137.097224	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M-2H"	-2.014552
"453698"	206.149474	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M-2H"	-2.014552
"832269"	68.044974	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-2H"	-2.014552
"93194"	275.201724	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M-H"	-1.007276
"531432"	413.306224	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M-H"	-1.007276
"911010"	137.097224	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-H"	-1.007276
"62267"	292.228271	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M-2H+NH4"	16.019271
"500491"	430.332771	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M-2H+NH4"	16.019271
"876595"	154.123771	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-2H+NH4"	16.019271
"44130"	297.183666	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M-2H+Na"	20.974666
"484782"	435.288166	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M-2H+Na"	20.974666
"860397"	159.079166	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-2H+Na"	20.974666
"1627742"	159.079166	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Na-2H"	20.974666
"106456"	155.085563	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M-H+Cl"	33.962126
"547109"	224.137813	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M-H+Cl"	33.962126
"939530"	86.033313	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-H+Cl"	33.962126
"280272"	311.178402	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+Cl"	34.969402
"671598"	449.282902	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+Cl"	34.969402
"1285095"	173.073902	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Cl"	34.969402
"17082"	313.157606	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M-2H+K"	36.948606
"458828"	451.262106	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M-2H+K"	36.948606
"840646"	175.053106	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-2H+K"	36.948606
"1556837"	175.053106	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+K-2H"	36.948606
"952019"	183.102694	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-H+HCOOH"	44.998194
"372422"	321.207201	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+HCOOH-H"	44.998201
"356305"	335.222851	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+Hac-H"	59.013851
"1504044"	197.118351	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Hac-H"	59.013851
"969399"	205.084651	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-H+NaCOOH"	66.980151
"123775"	173.073902	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+2Cl"	69.938804
"565280"	242.126152	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+2Cl"	69.938804
"1032137"	104.021652	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2Cl"	69.938804
"1249528"	217.023385	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Br"	78.918885
"1310154"	219.079372	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Cl+HCOOH"	80.974872
"1324004"	241.061329	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Cl+NaCOOH"	102.956829
"916155"	251.090086	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M-H+CF3COOH"	112.985586
"1295052"	287.066764	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Cl+CF3COOH"	148.962264
"1371026"	103.091824	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H-2H2O"	-35.012676
"1397644"	121.1018	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H-H2O"	-17.0027
"291495"	277.216276	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+H"	1.007276
"686103"	415.320776	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+H"	1.007276
"1360267"	139.111776	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H"	1.007276
"132062"	139.111776	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+2H"	2.014552
"569433"	208.164026	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+2H"	2.014552
"1045888"	70.059526	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2H"	2.014552
"207225"	93.0769426666667	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+3H"	3.021828
"647513"	139.111776	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+3H"	3.021828
"1164056"	47.0421093333333	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+3H"	3.021828
"438402"	294.242823	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+NH4"	18.033823
"797574"	432.347323	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+NH4"	18.033823
"1695362"	156.138323	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+NH4"	18.033823
"344735"	147.6250495	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+H+NH4"	19.041099
"733873"	216.6772995	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+H+NH4"	19.041099
"1486599"	78.5727995	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H+NH4"	19.041099
"399811"	299.198218	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+Na"	22.989218
"768098"	437.302718	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+Na"	22.989218
"1614373"	161.093718	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Na"	22.989218
"321129"	150.102747	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+H+Na"	23.996494
"715736"	219.154997	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+H+Na"	23.996494
"1466274"	81.050497	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H+Na"	23.996494
"1058426"	54.3694233333333	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2H+Na"	25.00377
"1266667"	171.137986	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+CH3OH+H"	33.033486
"383055"	315.172158	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+K"	38.963158
"744050"	453.276658	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+K"	38.963158
"1555384"	177.067658	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+K"	38.963158
"314171"	158.089717	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+H+K"	39.970434
"706038"	227.141967	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+H+K"	39.970434
"1457185"	89.037467	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H+K"	39.970434
"245787"	318.242826	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+ACN+H"	42.033826
"1216309"	180.138326	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+ACN+H"	42.033826
"1200192"	90.572801	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+ACN+2H"	43.041102
"195249"	321.18016	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+2Na-H"	44.97116
"640274"	459.28466	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+2Na-H"	44.97116
"1146696"	183.07566	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2Na-H"	44.97116
"187071"	161.093718	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+2Na"	45.978436
"624444"	230.145968	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+2Na"	45.978436
"1128313"	92.041468	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2Na"	45.978436
"1408919"	61.6967373333333	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H+2Na"	46.985712
"1439212"	185.117246	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H+HCOOH"	47.012746
"224174"	166.12674	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+3H2O+2H"	56.04448
"1512966"	199.16929	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+IsoProp+H"	61.06479
"414477"	169.080688	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+Na+K"	61.952376
"780941"	238.132938	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+Na+K"	61.952376
"1676180"	100.028438	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Na+K"	61.952376
"265989"	340.224768	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+ACN+Na"	64.015768
"1237603"	202.120268	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+ACN+Na"	64.015768
"1727462"	202.143793	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+NH4+HCOOH"	64.039293
"1193873"	69.0240513333333	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+3Na"	68.967654
"1663927"	207.099188	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Na+HCOOH"	68.994688
"166414"	353.12804	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+2K-H"	76.91904
"609254"	491.23254	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+2K-H"	76.91904
"1090486"	215.02354	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2K-H"	76.91904
"153865"	177.067658	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"2M+2K"	77.926316
"589049"	246.119908	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"3M+2K"	77.926316
"1073565"	108.015408	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2K"	77.926316
"1108963"	217.038092	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2K+H"	78.933592
"1350904"	217.125707	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+DMSO+H"	79.021207
"1020851"	221.164876	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2ACN+H"	83.060376
"1538203"	222.158508	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+IsoProp+Na+H"	84.054008
"1000639"	111.086076	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+2ACN+2H"	84.067652
"1599515"	223.073128	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+K+HCOOH"	84.968628
"1426272"	253.104638	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+H+CF3COOH"	115.000138
"1158746"	131.599351	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+3ACN+2H"	125.094202
"1705017"	270.131185	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+NH4+CF3COOH"	132.026685
"1640666"	275.08658	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+Na+CF3COOH"	136.98208
"1571373"	291.06052	"C14743"	"Isophorone;113-Trimethyl-3-cyclohexene-5-one"	"C9H14O"	"138.1045"	"M+K+CF3COOH"	152.95602
"809966"	329.902	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M"	0
"988604"	310.88361	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-H2O-H"	-19.01839
"77090"	218.927390666667	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M-3H"	-3.021828
"517136"	328.894724	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M-3H"	-3.021828
"886919"	108.960057333333	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-3H"	-3.021828
"9871"	328.894724	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M-2H"	-2.014552
"453805"	493.845724	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M-2H"	-2.014552
"831608"	163.943724	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-2H"	-2.014552
"93421"	658.796724	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M-H"	-1.007276
"533596"	988.698724	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M-H"	-1.007276
"910881"	328.894724	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-H"	-1.007276
"61645"	675.823271	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M-2H+NH4"	16.019271
"501940"	1005.725271	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M-2H+NH4"	16.019271
"879376"	345.921271	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-2H+NH4"	16.019271
"46309"	680.778666	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M-2H+Na"	20.974666
"486676"	1010.680666	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M-2H+Na"	20.974666
"863747"	350.876666	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-2H+Na"	20.974666
"1632223"	350.876666	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Na-2H"	20.974666
"109402"	346.883063	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M-H+Cl"	33.962126
"549774"	511.834063	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M-H+Cl"	33.962126
"941706"	181.932063	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-H+Cl"	33.962126
"280383"	694.773402	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+Cl"	34.969402
"671708"	1024.675402	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+Cl"	34.969402
"1285205"	364.871402	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Cl"	34.969402
"24485"	696.752606	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M-2H+K"	36.948606
"466231"	1026.654606	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M-2H+K"	36.948606
"837473"	366.850606	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-2H+K"	36.948606
"1561328"	366.850606	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+K-2H"	36.948606
"952495"	374.900194	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-H+HCOOH"	44.998194
"374722"	704.802201	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+HCOOH-H"	44.998201
"355324"	718.817851	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+Hac-H"	59.013851
"1506344"	388.915851	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Hac-H"	59.013851
"974199"	396.882151	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-H+NaCOOH"	66.980151
"125554"	364.871402	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+2Cl"	69.938804
"563447"	529.822402	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+2Cl"	69.938804
"1035531"	199.920402	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2Cl"	69.938804
"1254016"	408.820885	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Br"	78.918885
"1315368"	410.876872	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Cl+HCOOH"	80.974872
"1330677"	432.858829	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Cl+NaCOOH"	102.956829
"917359"	442.887586	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M-H+CF3COOH"	112.985586
"1301727"	478.864264	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Cl+CF3COOH"	148.962264
"1372231"	294.889324	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H-2H2O"	-35.012676
"1398249"	312.8993	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H-H2O"	-17.0027
"298489"	660.811276	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+H"	1.007276
"689497"	990.713276	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+H"	1.007276
"1365847"	330.909276	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H"	1.007276
"139100"	330.909276	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+2H"	2.014552
"573918"	495.860276	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+2H"	2.014552
"1048914"	165.958276	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2H"	2.014552
"211711"	220.941942666667	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+3H"	3.021828
"649449"	330.909276	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+3H"	3.021828
"1165385"	110.974609333333	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+3H"	3.021828
"439529"	677.837823	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+NH4"	18.033823
"800242"	1007.739823	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+NH4"	18.033823
"1696571"	347.935823	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+NH4"	18.033823
"345466"	339.4225495	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+H+NH4"	19.041099
"736904"	504.3735495	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+H+NH4"	19.041099
"1492180"	174.4715495	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H+NH4"	19.041099
"402108"	682.793218	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+Na"	22.989218
"767115"	1012.695218	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+Na"	22.989218
"1615579"	352.891218	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Na"	22.989218
"327438"	341.900247	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+H+Na"	23.996494
"716940"	506.851247	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+H+Na"	23.996494
"1469665"	176.949247	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H+Na"	23.996494
"1059629"	118.301923333333	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2H+Na"	25.00377
"1266413"	362.935486	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+CH3OH+H"	33.033486
"384258"	698.767158	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+K"	38.963158
"745253"	1028.669158	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+K"	38.963158
"1551318"	368.865158	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+K"	38.963158
"313234"	349.887217	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+H+K"	39.970434
"705661"	514.838217	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+H+K"	39.970434
"1458024"	184.936217	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H+K"	39.970434
"248812"	701.837826	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+ACN+H"	42.033826
"1216419"	371.935826	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+ACN+H"	42.033826
"1200302"	186.471551	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+ACN+2H"	43.041102
"196452"	704.77516	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+2Na-H"	44.97116
"639291"	1034.67716	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+2Na-H"	44.97116
"1146322"	374.87316	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2Na-H"	44.97116
"183901"	352.891218	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+2Na"	45.978436
"623461"	517.842218	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+2Na"	45.978436
"1128787"	187.940218	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2Na"	45.978436
"1408300"	125.629237333333	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H+2Na"	46.985712
"1438228"	376.914746	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H+HCOOH"	47.012746
"222096"	357.92424	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+3H2O+2H"	56.04448
"1510889"	390.96679	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+IsoProp+H"	61.06479
"413494"	360.878188	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+Na+K"	61.952376
"779958"	525.829188	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+Na+K"	61.952376
"1673010"	195.927188	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Na+K"	61.952376
"265978"	723.819768	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+ACN+Na"	64.015768
"1239900"	393.917768	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+ACN+Na"	64.015768
"1726235"	393.941293	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+NH4+HCOOH"	64.039293
"1191954"	132.956551333333	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+3Na"	68.967654
"1665511"	398.896688	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Na+HCOOH"	68.994688
"172775"	736.72304	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+2K-H"	76.91904
"612650"	1066.62504	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+2K-H"	76.91904
"1097158"	406.82104	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2K-H"	76.91904
"156648"	368.865158	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"2M+2K"	77.926316
"591346"	533.816158	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"3M+2K"	77.926316
"1080237"	203.914158	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2K"	77.926316
"1115028"	408.835592	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2K+H"	78.933592
"1350694"	408.923207	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+DMSO+H"	79.021207
"1020928"	412.962376	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2ACN+H"	83.060376
"1538921"	413.956008	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+IsoProp+Na+H"	84.054008
"1004031"	206.984826	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+2ACN+2H"	84.067652
"1601936"	414.870628	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+K+HCOOH"	84.968628
"1426382"	444.902138	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+H+CF3COOH"	115.000138
"1159949"	227.498101	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+3ACN+2H"	125.094202
"1705127"	461.928685	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+NH4+CF3COOH"	132.026685
"1639683"	466.88408	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+Na+CF3COOH"	136.98208
"1573145"	482.85802	"C14744"	"Dacthal;Chlorthal-dimethyl;Dimethyl 2356-tetrachloroterephthalate"	"C10H6Cl4O4"	"329.902"	"M+K+CF3COOH"	152.95602
"811169"	351.1471	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M"	0
"987258"	332.12871	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-H2O-H"	-19.01839
"72948"	233.090790666667	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M-3H"	-3.021828
"509227"	350.139824	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M-3H"	-3.021828
"885935"	116.041757333333	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-3H"	-3.021828
"2323"	350.139824	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M-2H"	-2.014552
"444074"	525.713374	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M-2H"	-2.014552
"825156"	174.566274	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-2H"	-2.014552
"85147"	701.286924	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M-H"	-1.007276
"527988"	1052.434024	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M-H"	-1.007276
"908594"	350.139824	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-H"	-1.007276
"61512"	718.313471	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M-2H+NH4"	16.019271
"501324"	1069.460571	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M-2H+NH4"	16.019271
"879567"	367.166371	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-2H+NH4"	16.019271
"47117"	723.268866	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M-2H+Na"	20.974666
"486626"	1074.415966	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M-2H+Na"	20.974666
"863534"	372.121766	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-2H+Na"	20.974666
"1633632"	372.121766	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Na-2H"	20.974666
"109798"	368.128163	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M-H+Cl"	33.962126
"549030"	543.701713	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M-H+Cl"	33.962126
"940477"	192.554613	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-H+Cl"	33.962126
"278304"	737.263602	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+Cl"	34.969402
"674005"	1088.410702	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+Cl"	34.969402
"1285315"	386.116502	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Cl"	34.969402
"21315"	739.242806	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M-2H+K"	36.948606
"459780"	1090.389906	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M-2H+K"	36.948606
"834303"	388.095706	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-2H+K"	36.948606
"1556083"	388.095706	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+K-2H"	36.948606
"943238"	396.145294	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-H+HCOOH"	44.998194
"375196"	747.292401	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+HCOOH-H"	44.998201
"358349"	761.308051	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+Hac-H"	59.013851
"1506090"	410.160951	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Hac-H"	59.013851
"974086"	418.127251	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-H+NaCOOH"	66.980151
"122902"	386.116502	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+2Cl"	69.938804
"563557"	561.690052	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+2Cl"	69.938804
"1036734"	210.542952	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2Cl"	69.938804
"1255215"	430.065985	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Br"	78.918885
"1314385"	432.121972	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Cl+HCOOH"	80.974872
"1329694"	454.103929	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Cl+NaCOOH"	102.956829
"915282"	464.132686	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M-H+CF3COOH"	112.985586
"1300379"	500.109364	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Cl+CF3COOH"	148.962264
"1372341"	316.134424	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H-2H2O"	-35.012676
"1386556"	334.1444	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H-H2O"	-17.0027
"298339"	703.301476	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+H"	1.007276
"689607"	1054.448576	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+H"	1.007276
"1366200"	352.154376	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H"	1.007276
"136656"	352.154376	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+2H"	2.014552
"574028"	527.727926	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+2H"	2.014552
"1043920"	176.580826	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2H"	2.014552
"211821"	235.105342666667	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+3H"	3.021828
"649195"	352.154376	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+3H"	3.021828
"1165131"	118.056309333333	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+3H"	3.021828
"438625"	720.328023	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+NH4"	18.033823
"799985"	1071.475123	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+NH4"	18.033823
"1695952"	369.180923	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+NH4"	18.033823
"345449"	360.6676495	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+H+NH4"	19.041099
"735917"	536.2411995	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+H+NH4"	19.041099
"1490467"	185.0940995	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H+NH4"	19.041099
"402218"	725.283418	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+Na"	22.989218
"767225"	1076.430518	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+Na"	22.989218
"1615689"	374.136318	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Na"	22.989218
"326455"	363.145347	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+H+Na"	23.996494
"717050"	538.718897	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+H+Na"	23.996494
"1470868"	187.571797	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H+Na"	23.996494
"1059739"	125.383623333333	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2H+Na"	25.00377
"1267981"	384.180586	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+CH3OH+H"	33.033486
"383275"	741.257358	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+K"	38.963158
"748643"	1092.404458	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+K"	38.963158
"1551064"	390.110258	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+K"	38.963158
"311521"	371.132317	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+H+K"	39.970434
"706379"	546.705867	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+H+K"	39.970434
"1458863"	195.558767	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H+K"	39.970434
"248558"	744.328026	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+ACN+H"	42.033826
"1216529"	393.180926	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+ACN+H"	42.033826
"1200412"	197.094101	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+ACN+2H"	43.041102
"198749"	747.26536	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+2Na-H"	44.97116
"641953"	1098.41246	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+2Na-H"	44.97116
"1146761"	396.11826	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2Na-H"	44.97116
"187537"	374.136318	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+2Na"	45.978436
"623571"	549.709868	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+2Na"	45.978436
"1130355"	198.562768	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2Na"	45.978436
"1409503"	132.710937333333	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H+2Na"	46.985712
"1437245"	398.159846	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H+HCOOH"	47.012746
"222572"	379.16934	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+3H2O+2H"	56.04448
"1510995"	412.21189	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+IsoProp+H"	61.06479
"411049"	382.123288	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+Na+K"	61.952376
"781526"	557.696838	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+Na+K"	61.952376
"1674213"	206.549738	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Na+K"	61.952376
"267074"	766.309968	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+ACN+Na"	64.015768
"1240376"	415.162868	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+ACN+Na"	64.015768
"1726345"	415.186393	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+NH4+HCOOH"	64.039293
"1192064"	140.038251333333	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+3Na"	68.967654
"1665488"	420.141788	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Na+HCOOH"	68.994688
"172803"	779.21324	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+2K-H"	76.91904
"612733"	1130.36034	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+2K-H"	76.91904
"1097267"	428.06614	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2K-H"	76.91904
"151896"	390.110258	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"2M+2K"	77.926316
"591456"	565.683808	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"3M+2K"	77.926316
"1082534"	214.536708	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2K"	77.926316
"1113557"	430.080692	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2K+H"	78.933592
"1351050"	430.168307	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+DMSO+H"	79.021207
"1021270"	434.207476	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2ACN+H"	83.060376
"1539032"	435.201108	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+IsoProp+Na+H"	84.054008
"1003047"	217.607376	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+2ACN+2H"	84.067652
"1600830"	436.115728	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+K+HCOOH"	84.968628
"1426492"	466.147238	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+H+CF3COOH"	115.000138
"1160059"	238.120651	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+3ACN+2H"	125.094202
"1705237"	483.173785	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+NH4+CF3COOH"	132.026685
"1639793"	488.12918	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+Na+CF3COOH"	136.98208
"1571674"	504.10312	"C14745"	"Zindoxifene"	"C21H21NO4"	"351.1471"	"M+K+CF3COOH"	152.95602
"811279"	196.0767	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M"	0
"987368"	177.05831	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-H2O-H"	-19.01839
"75244"	129.710524	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M-3H"	-3.021828
"510430"	195.069424	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M-3H"	-3.021828
"886045"	64.351624	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-3H"	-3.021828
"603"	195.069424	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M-2H"	-2.014552
"445276"	293.107774	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M-2H"	-2.014552
"824172"	97.031074	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-2H"	-2.014552
"86350"	391.146124	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M-H"	-1.007276
"529920"	587.222824	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M-H"	-1.007276
"910523"	195.069424	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-H"	-1.007276
"61255"	408.172671	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M-2H+NH4"	16.019271
"501302"	604.249371	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M-2H+NH4"	16.019271
"879590"	212.095971	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-2H+NH4"	16.019271
"46275"	413.128066	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M-2H+Na"	20.974666
"486814"	609.204766	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M-2H+Na"	20.974666
"863641"	217.051366	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-2H+Na"	20.974666
"1633420"	217.051366	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Na-2H"	20.974666
"108610"	213.057763	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M-H+Cl"	33.962126
"549828"	311.096113	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M-H+Cl"	33.962126
"941438"	115.019413	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-H+Cl"	33.962126
"280236"	427.122802	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+Cl"	34.969402
"674238"	623.199502	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+Cl"	34.969402
"1285425"	231.046102	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Cl"	34.969402
"25794"	429.102006	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M-2H+K"	36.948606
"455791"	625.178706	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M-2H+K"	36.948606
"834413"	233.025306	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-2H+K"	36.948606
"1556029"	233.025306	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+K-2H"	36.948606
"943023"	241.074894	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-H+HCOOH"	44.998194
"374941"	437.151601	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+HCOOH-H"	44.998201
"358095"	451.167251	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+Hac-H"	59.013851
"1506928"	255.090551	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Hac-H"	59.013851
"973140"	263.056851	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-H+NaCOOH"	66.980151
"123012"	231.046102	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+2Cl"	69.938804
"562574"	329.084452	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+2Cl"	69.938804
"1036114"	133.007752	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2Cl"	69.938804
"1255325"	274.995585	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Br"	78.918885
"1313399"	277.051572	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Cl+HCOOH"	80.974872
"1331262"	299.033529	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Cl+NaCOOH"	102.956829
"913206"	309.062286	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M-H+CF3COOH"	112.985586
"1300489"	345.038964	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Cl+CF3COOH"	148.962264
"1373544"	161.064024	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H-2H2O"	-35.012676
"1385573"	179.074	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H-H2O"	-17.0027
"298108"	393.160676	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+H"	1.007276
"688622"	589.237376	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+H"	1.007276
"1365703"	197.083976	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H"	1.007276
"137859"	197.083976	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+2H"	2.014552
"571951"	295.122326	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+2H"	2.014552
"1040750"	99.045626	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2H"	2.014552
"208651"	131.725076	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+3H"	3.021828
"647846"	197.083976	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+3H"	3.021828
"1165970"	66.366176	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+3H"	3.021828
"439665"	410.187223	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+NH4"	18.033823
"800456"	606.263923	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+NH4"	18.033823
"1696061"	214.110523	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+NH4"	18.033823
"344706"	205.5972495	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+H+NH4"	19.041099
"736393"	303.6355995	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+H+NH4"	19.041099
"1490577"	107.5588995	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H+NH4"	19.041099
"403421"	415.142618	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+Na"	22.989218
"764419"	611.219318	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+Na"	22.989218
"1615799"	219.065918	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Na"	22.989218
"325470"	208.074947	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+H+Na"	23.996494
"718254"	306.113297	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+H+Na"	23.996494
"1469885"	110.036597	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H+Na"	23.996494
"1057662"	73.69349	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2H+Na"	25.00377
"1266998"	229.110186	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+CH3OH+H"	33.033486
"383385"	431.116558	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+K"	38.963158
"747660"	627.193258	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+K"	38.963158
"1553362"	235.039858	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+K"	38.963158
"313946"	216.061917	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+H+K"	39.970434
"706368"	314.100267	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+H+K"	39.970434
"1459945"	118.023567	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H+K"	39.970434
"248668"	434.187226	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+ACN+H"	42.033826
"1216639"	238.110526	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+ACN+H"	42.033826
"1202708"	119.558901	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+ACN+2H"	43.041102
"199224"	437.12456	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+2Na-H"	44.97116
"643158"	633.20126	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+2Na-H"	44.97116
"1146791"	241.04786	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2Na-H"	44.97116
"187164"	219.065918	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+2Na"	45.978436
"625505"	317.104268	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+2Na"	45.978436
"1129372"	121.027568	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2Na"	45.978436
"1410707"	81.020804	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H+2Na"	46.985712
"1437355"	243.089446	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H+HCOOH"	47.012746
"222683"	224.09894	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+3H2O+2H"	56.04448
"1511835"	257.14149	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+IsoProp+H"	61.06479
"411523"	227.052888	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+Na+K"	61.952376
"780544"	325.091238	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+Na+K"	61.952376
"1673595"	129.014538	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Na+K"	61.952376
"266565"	456.169168	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+ACN+Na"	64.015768
"1240731"	260.092468	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+ACN+Na"	64.015768
"1728366"	260.115993	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+NH4+HCOOH"	64.039293
"1191810"	88.348118	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+3Na"	68.967654
"1665520"	265.071388	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Na+HCOOH"	68.994688
"172708"	469.07244	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+2K-H"	76.91904
"612803"	665.14914	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+2K-H"	76.91904
"1097256"	272.99574	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2K-H"	76.91904
"154193"	235.039858	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"2M+2K"	77.926316
"594604"	333.078208	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"3M+2K"	77.926316
"1077176"	137.001508	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2K"	77.926316
"1109292"	275.010292	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2K+H"	78.933592
"1351161"	275.097907	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+DMSO+H"	79.021207
"1021339"	279.137076	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2ACN+H"	83.060376
"1539384"	280.130708	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+IsoProp+Na+H"	84.054008
"998782"	140.072176	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+2ACN+2H"	84.067652
"1602158"	281.045328	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+K+HCOOH"	84.968628
"1427694"	311.076838	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+H+CF3COOH"	115.000138
"1161262"	160.585451	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+3ACN+2H"	125.094202
"1705347"	328.103385	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+NH4+CF3COOH"	132.026685
"1640996"	333.05878	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+Na+CF3COOH"	136.98208
"1571906"	349.03272	"C14746"	"Chlordimeform;Chlorphenamidine;N-(4-Chloro-2-methylphenyl)-NN-dimethylformamidine"	"C10H13ClN2"	"196.0767"	"M+K+CF3COOH"	152.95602
"811389"	200.0837	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M"	0
"988936"	181.06531	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-H2O-H"	-19.01839
"70981"	132.381857333333	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M-3H"	-3.021828
"512727"	199.076424	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M-3H"	-3.021828
"889436"	65.6872906666667	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-3H"	-3.021828
"2543"	199.076424	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M-2H"	-2.014552
"445386"	299.118274	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M-2H"	-2.014552
"825375"	99.034574	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-2H"	-2.014552
"85366"	399.160124	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M-H"	-1.007276
"530394"	599.243824	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M-H"	-1.007276
"910274"	199.076424	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-H"	-1.007276
"61853"	416.186671	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M-2H+NH4"	16.019271
"501656"	616.270371	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M-2H+NH4"	16.019271
"878850"	216.102971	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-2H+NH4"	16.019271
"46020"	421.142066	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M-2H+Na"	20.974666
"486071"	621.225766	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M-2H+Na"	20.974666
"862293"	221.058366	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-2H+Na"	20.974666
"1631827"	221.058366	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Na-2H"	20.974666
"108721"	217.064763	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M-H+Cl"	33.962126
"547547"	317.106613	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M-H+Cl"	33.962126
"941791"	117.022913	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-H+Cl"	33.962126
"281561"	435.136802	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+Cl"	34.969402
"672038"	635.220502	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+Cl"	34.969402
"1282255"	235.053102	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Cl"	34.969402
"22624"	437.116006	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M-2H+K"	36.948606
"461091"	637.199706	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M-2H+K"	36.948606
"837803"	237.032306	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-2H+K"	36.948606
"1558009"	237.032306	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+K-2H"	36.948606
"944798"	245.081894	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-H+HCOOH"	44.998194
"374324"	445.165601	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+HCOOH-H"	44.998201
"359301"	459.181251	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+Hac-H"	59.013851
"1504488"	259.097551	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Hac-H"	59.013851
"970932"	267.063851	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-H+NaCOOH"	66.980151
"120935"	235.053102	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+2Cl"	69.938804
"562320"	335.094952	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+2Cl"	69.938804
"1033673"	135.011252	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2Cl"	69.938804
"1248875"	279.002585	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Br"	78.918885
"1311322"	281.058572	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Cl+HCOOH"	80.974872
"1329913"	303.040529	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Cl+NaCOOH"	102.956829
"915502"	313.069286	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M-H+CF3COOH"	112.985586
"1299870"	349.045964	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Cl+CF3COOH"	148.962264
"1378029"	165.071024	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H-2H2O"	-35.012676
"1388962"	183.081	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H-H2O"	-17.0027
"298141"	401.174676	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+H"	1.007276
"688004"	601.258376	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+H"	1.007276
"1366666"	201.090976	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H"	1.007276
"137971"	201.090976	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+2H"	2.014552
"579718"	301.132826	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+2H"	2.014552
"1047421"	101.049126	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2H"	2.014552
"215321"	134.396409333333	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+3H"	3.021828
"649416"	201.090976	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+3H"	3.021828
"1167902"	67.7018426666667	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+3H"	3.021828
"437020"	418.201223	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+NH4"	18.033823
"798378"	618.284923	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+NH4"	18.033823
"1694713"	218.117523	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+NH4"	18.033823
"344450"	209.6042495	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+H+NH4"	19.041099
"737598"	309.6460995	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+H+NH4"	19.041099
"1489958"	109.5623995	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H+NH4"	19.041099
"402438"	423.156618	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+Na"	22.989218
"768665"	623.240318	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+Na"	22.989218
"1613357"	223.072918	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Na"	22.989218
"324852"	212.081947	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+H+Na"	23.996494
"719821"	312.123797	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+H+Na"	23.996494
"1469995"	112.040097	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H+Na"	23.996494
"1057772"	75.0291566666667	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2H+Na"	25.00377
"1267106"	233.117186	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+CH3OH+H"	33.033486
"387870"	439.130558	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+K"	38.963158
"747771"	639.214258	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+K"	38.963158
"1554564"	239.046858	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+K"	38.963158
"313935"	220.068917	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+H+K"	39.970434
"706563"	320.110767	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+H+K"	39.970434
"1457989"	120.027067	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H+K"	39.970434
"249142"	442.201226	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+ACN+H"	42.033826
"1219665"	242.117526	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+ACN+H"	42.033826
"1204640"	121.562401	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+ACN+2H"	43.041102
"198240"	445.13856	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+2Na-H"	44.97116
"643511"	645.22226	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+2Na-H"	44.97116
"1146170"	245.05486	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2Na-H"	44.97116
"186418"	223.072918	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+2Na"	45.978436
"626706"	323.114768	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+2Na"	45.978436
"1129848"	123.031068	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2Na"	45.978436
"1410818"	82.3564706666667	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H+2Na"	46.985712
"1437829"	247.096446	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H+HCOOH"	47.012746
"226073"	228.10594	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+3H2O+2H"	56.04448
"1513402"	261.14849	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+IsoProp+H"	61.06479
"413091"	231.059888	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+Na+K"	61.952376
"781745"	331.101738	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+Na+K"	61.952376
"1675527"	131.018038	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Na+K"	61.952376
"266067"	464.183168	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+ACN+Na"	64.015768
"1238408"	264.099468	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+ACN+Na"	64.015768
"1727292"	264.122993	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+NH4+HCOOH"	64.039293
"1192285"	89.6837846666667	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+3Na"	68.967654
"1664851"	269.078388	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Na+HCOOH"	68.994688
"172614"	477.08644	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+2K-H"	76.91904
"612621"	677.17014	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+2K-H"	76.91904
"1096394"	277.00274	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2K-H"	76.91904
"154303"	239.046858	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"2M+2K"	77.926316
"592770"	339.088708	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"3M+2K"	77.926316
"1077286"	139.005008	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2K"	77.926316
"1109402"	279.017292	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2K+H"	78.933592
"1350655"	279.104907	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+DMSO+H"	79.021207
"1020723"	283.144076	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2ACN+H"	83.060376
"1539688"	284.137708	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+IsoProp+Na+H"	84.054008
"1002172"	142.075676	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+2ACN+2H"	84.067652
"1601780"	285.052328	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+K+HCOOH"	84.968628
"1429466"	315.083838	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+H+CF3COOH"	115.000138
"1161372"	162.588951	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+3ACN+2H"	125.094202
"1705457"	332.110385	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+NH4+CF3COOH"	132.026685
"1644386"	337.06578	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+Na+CF3COOH"	136.98208
"1572016"	353.03972	"C14747"	"22-Bisphenol F;Bis(2-hydroxyphenyl)methane"	"C13H12O2"	"200.0837"	"M+K+CF3COOH"	152.95602
"811499"	320.2351	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M"	0
"988314"	301.21671	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"71091"	212.482790666667	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"505545"	319.227824	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"880085"	105.737757333333	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"1559"	319.227824	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"445496"	479.345374	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"825485"	159.110274	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"84383"	639.462924	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"530504"	959.698024	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"905026"	319.227824	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"61472"	656.489471	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"502661"	976.724571	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"879086"	336.254371	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"46499"	661.444866	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"483138"	981.679966	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"863576"	341.209766	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1633391"	341.209766	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"108102"	337.216163	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"547657"	497.333713	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"942632"	177.098613	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"278633"	675.439602	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"672147"	995.674702	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1282365"	355.204502	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"17508"	677.418806	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"460108"	997.653906	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"839004"	357.183706	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1559212"	357.183706	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"945272"	365.233294	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"374434"	685.468401	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"359047"	699.484051	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1506420"	379.248951	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"971042"	387.215251	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"121045"	355.204502	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"561701"	515.322052	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1032690"	195.086952	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1248985"	399.153985	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1308516"	401.209972	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1326743"	423.191929	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"918892"	433.220686	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1298887"	469.197364	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1378868"	285.222424	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1387979"	303.2324	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"295693"	641.477476	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"688478"	961.712576	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1365560"	321.242376	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"138446"	321.242376	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"579828"	481.359926	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1047167"	161.124826	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"215067"	214.497342666667	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"649526"	321.242376	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1164733"	107.752309333333	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"437860"	658.504023	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"799218"	978.739123	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1695186"	338.268923	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"345286"	329.7556495	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"737343"	489.8731995	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1490432"	169.6380995	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"403641"	663.459418	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"767557"	983.694518	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1614924"	343.224318	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"327146"	332.233347	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"717379"	492.350897	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1469012"	172.115797	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1057153"	115.079623333333	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1263937"	353.268586	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"387980"	679.433358	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"753837"	999.668458	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1555282"	359.198258	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"313880"	340.220317	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"705006"	500.337867	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1457370"	180.102767	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"246336"	682.504026	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1219044"	362.268926	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1202927"	181.638101	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"197983"	685.44136	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"643012"	1005.67646	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1146521"	365.20626	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"187502"	343.224318	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"626816"	503.341868	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1129960"	183.106768	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1408742"	122.406937333333	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1438669"	367.247846	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"225090"	348.25734	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1512055"	381.29989	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"411742"	351.211288	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"779303"	511.328838	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1676729"	191.093738	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"262531"	704.485968	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1237061"	384.250868	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1725580"	384.274393	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1191304"	129.734251333333	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1665253"	389.229788	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"172519"	717.38924	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"612647"	1037.62434	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1098449"	397.15414	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"154413"	359.198258	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"593974"	519.315808	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1077396"	199.080708	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1109512"	399.168692	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1350401"	399.256307	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1020754"	403.295476	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1538631"	404.289108	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1002282"	202.151376	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1596785"	405.203728	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1429252"	435.235238	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1161482"	222.664651	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1705567"	452.261785	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1641216"	457.21718	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1572126"	473.19112	"C14748"	"20-HETE;(5Z8Z11Z14Z)-20-Hydroxyicosa-581114-tetraenoic acid;20-Hydroxyeicosatetraenoic acid;20-Hydroxyicosatetraenoic acid;20-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"811609"	320.2351	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M"	0
"987331"	301.21671	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"74481"	212.482790666667	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"506384"	319.227824	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"883091"	105.737757333333	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"2764"	319.227824	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"442326"	479.345374	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"824501"	159.110274	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"82306"	639.462924	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"530614"	959.698024	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"904042"	319.227824	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"52948"	656.489471	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"493600"	976.724571	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"877847"	336.254371	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"41858"	661.444866	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"485676"	981.679966	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"862876"	341.209766	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1632403"	341.209766	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"109181"	337.216163	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"547767"	497.333713	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"940186"	177.098613	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"281541"	675.439602	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"674931"	995.674702	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1278100"	355.204502	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"16887"	677.418806	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"461311"	997.653906	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"836927"	357.183706	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1560415"	357.183706	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"946112"	365.233294	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"374909"	685.468401	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"357698"	699.484051	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1504706"	379.248951	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"968971"	387.215251	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"123708"	355.204502	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"563270"	515.322052	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1031707"	195.086952	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1249095"	399.153985	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1309355"	401.209972	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1327946"	423.191929	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"919002"	433.220686	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1298997"	469.197364	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1378978"	285.222424	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1388089"	303.2324	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"293978"	641.477476	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"687495"	961.712576	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1365549"	321.242376	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"137826"	321.242376	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"572281"	481.359926	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1047277"	161.124826	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"205700"	214.497342666667	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"649636"	321.242376	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1165572"	107.752309333333	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"438699"	658.504023	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"797507"	978.739123	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1694931"	338.268923	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"345032"	329.7556495	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"735630"	489.8731995	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1489449"	169.6380995	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"403751"	663.459418	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"768031"	983.694518	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1613942"	343.224318	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"323977"	332.233347	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"717489"	492.350897	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1469122"	172.115797	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1057992"	115.079623333333	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1262954"	353.268586	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"386997"	679.433358	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"753339"	999.668458	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1555393"	359.198258	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"310502"	340.220317	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"701834"	500.337867	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1457480"	180.102767	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"246445"	682.504026	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1216966"	362.268926	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1199757"	181.638101	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"197001"	685.44136	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"642029"	1005.67646	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1144443"	365.20626	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"185911"	343.224318	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"625468"	503.341868	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1127152"	183.106768	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1410311"	122.406937333333	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1435501"	367.247846	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"223012"	348.25734	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1511435"	381.29989	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"412581"	351.211288	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"774308"	511.328838	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1669181"	191.093738	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"261175"	704.485968	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1234611"	384.250868	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1726054"	384.274393	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1191414"	129.734251333333	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1665445"	389.229788	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"172300"	717.38924	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"612716"	1037.62434	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1098438"	397.15414	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"154523"	359.198258	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590804"	519.315808	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1080786"	199.080708	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1109622"	399.168692	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1348200"	399.256307	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1021105"	403.295476	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1538741"	404.289108	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1002392"	202.151376	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1596895"	405.203728	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1429363"	435.235238	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1161592"	222.664651	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1708957"	452.261785	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1641326"	457.21718	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1572966"	473.19112	"C14749"	"19(S)-HETE;(19S)-Hydroxyeicosatetraenoic acid;(19S)-Hydroxyicosatetraenoic acid;(19S)-Hydroxy arachidonic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"811719"	320.1624	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M"	0
"986348"	301.14401	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H2O-H"	-19.01839
"73498"	212.434324	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-3H"	-3.021828
"505765"	319.155124	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-3H"	-3.021828
"881015"	105.713524	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-3H"	-3.021828
"687"	319.155124	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H"	-2.014552
"442436"	479.236324	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H"	-2.014552
"822424"	159.073924	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H"	-2.014552
"82416"	639.317524	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-H"	-1.007276
"530724"	959.479924	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-H"	-1.007276
"904152"	319.155124	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H"	-1.007276
"53058"	656.344071	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H+NH4"	16.019271
"492616"	976.506471	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H+NH4"	16.019271
"877228"	336.181671	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H+NH4"	16.019271
"41602"	661.299466	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H+Na"	20.974666
"486029"	981.461866	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H+Na"	20.974666
"862253"	341.137066	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H+Na"	20.974666
"1628504"	341.137066	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na-2H"	20.974666
"100658"	337.143463	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-H+Cl"	33.962126
"536937"	497.224663	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-H+Cl"	33.962126
"934827"	177.062263	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+Cl"	33.962126
"269010"	675.294202	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Cl"	34.969402
"674312"	995.456602	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+Cl"	34.969402
"1276024"	355.131802	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl"	34.969402
"15872"	677.273406	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H+K"	36.948606
"460328"	997.435806	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H+K"	36.948606
"832975"	357.111006	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H+K"	36.948606
"1555863"	357.111006	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K-2H"	36.948606
"942881"	365.160594	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+HCOOH"	44.998194
"375991"	685.323001	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+HCOOH-H"	44.998201
"358901"	699.338651	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Hac-H"	59.013851
"1504816"	379.176251	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Hac-H"	59.013851
"971995"	387.142551	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+NaCOOH"	66.980151
"122359"	355.131802	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2Cl"	69.938804
"563013"	515.213002	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2Cl"	69.938804
"1034732"	195.050602	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2Cl"	69.938804
"1250298"	399.081285	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Br"	78.918885
"1309465"	401.137272	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl+HCOOH"	80.974872
"1328056"	423.119229	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl+NaCOOH"	102.956829
"919112"	433.147986	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+CF3COOH"	112.985586
"1301293"	469.124664	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl+CF3COOH"	148.962264
"1377265"	285.149724	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H-2H2O"	-35.012676
"1386740"	303.1597	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H-H2O"	-17.0027
"293358"	641.332076	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H"	1.007276
"689064"	961.494476	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H"	1.007276
"1366146"	321.169676	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H"	1.007276
"137208"	321.169676	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2H"	2.014552
"572391"	481.250876	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2H"	2.014552
"1047023"	161.088476	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2H"	2.014552
"207996"	214.448876	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+3H"	3.021828
"647559"	321.169676	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+3H"	3.021828
"1166776"	107.728076	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+3H"	3.021828
"437718"	658.358623	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+NH4"	18.033823
"798710"	978.521023	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+NH4"	18.033823
"1695772"	338.196223	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+NH4"	18.033823
"343324"	329.6829495	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H+NH4"	19.041099
"735740"	489.7641495	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H+NH4"	19.041099
"1489196"	169.6017495	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+NH4"	19.041099
"403133"	663.314018	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Na"	22.989218
"767777"	983.476418	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+Na"	22.989218
"1615507"	343.151618	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na"	22.989218
"324083"	332.160647	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H+Na"	23.996494
"712130"	492.241847	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H+Na"	23.996494
"1468136"	172.079447	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+Na"	23.996494
"1058102"	115.05539	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2H+Na"	25.00377
"1261970"	353.195886	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+CH3OH+H"	33.033486
"384918"	679.287958	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+K"	38.963158
"749194"	999.450358	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+K"	38.963158
"1549061"	359.125558	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K"	38.963158
"306238"	340.147617	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H+K"	39.970434
"700487"	500.228817	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H+K"	39.970434
"1457226"	180.066417	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+K"	39.970434
"246191"	682.358626	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+ACN+H"	42.033826
"1218169"	362.196226	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+ACN+H"	42.033826
"1199867"	181.601751	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+ACN+2H"	43.041102
"197111"	685.29596	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2Na-H"	44.97116
"639587"	1005.45836	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2Na-H"	44.97116
"1144918"	365.13356	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2Na-H"	44.97116
"185169"	343.151618	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2Na"	45.978436
"623755"	503.232818	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2Na"	45.978436
"1126533"	183.070418	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2Na"	45.978436
"1410057"	122.382704	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+2Na"	46.985712
"1435613"	367.175146	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+HCOOH"	47.012746
"222758"	348.18464	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+3H2O+2H"	56.04448
"1511910"	381.22719	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+IsoProp+H"	61.06479
"412691"	351.138588	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Na+K"	61.952376
"774051"	511.219788	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+Na+K"	61.952376
"1669655"	191.057388	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na+K"	61.952376
"261285"	704.340568	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+ACN+Na"	64.015768
"1233993"	384.178168	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+ACN+Na"	64.015768
"1726892"	384.201693	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+NH4+HCOOH"	64.039293
"1188241"	129.710018	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+3Na"	68.967654
"1664700"	389.157088	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na+HCOOH"	68.994688
"172743"	717.24384	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2K-H"	76.91904
"610753"	1037.40624	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2K-H"	76.91904
"1094536"	397.08144	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2K-H"	76.91904
"151353"	359.125558	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2K"	77.926316
"592007"	519.206758	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2K"	77.926316
"1080532"	199.044358	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2K"	77.926316
"1109732"	399.095992	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2K+H"	78.933592
"1342839"	399.183607	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+DMSO+H"	79.021207
"1010275"	403.222776	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2ACN+H"	83.060376
"1529492"	404.216408	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+IsoProp+Na+H"	84.054008
"994847"	202.115026	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2ACN+2H"	84.067652
"1592631"	405.131028	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K+HCOOH"	84.968628
"1429229"	435.162538	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+CF3COOH"	115.000138
"1161702"	222.628301	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+3ACN+2H"	125.094202
"1709067"	452.189085	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+NH4+CF3COOH"	132.026685
"1640343"	457.14448	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na+CF3COOH"	136.98208
"1572468"	473.11842	"C14750"	"alpha-Zearalenol;trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K+CF3COOH"	152.95602
"811829"	320.1624	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M"	0
"986458"	301.14401	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H2O-H"	-19.01839
"73608"	212.434324	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-3H"	-3.021828
"503809"	319.155124	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-3H"	-3.021828
"881491"	105.713524	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-3H"	-3.021828
"553"	319.155124	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H"	-2.014552
"443638"	479.236324	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H"	-2.014552
"818525"	159.073924	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H"	-2.014552
"80339"	639.317524	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-H"	-1.007276
"524272"	959.479924	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-H"	-1.007276
"902075"	319.155124	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H"	-1.007276
"52075"	656.344071	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H+NH4"	16.019271
"492726"	976.506471	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H+NH4"	16.019271
"874905"	336.181671	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H+NH4"	16.019271
"39525"	661.299466	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H+Na"	20.974666
"481280"	981.461866	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H+Na"	20.974666
"857985"	341.137066	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H+Na"	20.974666
"1622051"	341.137066	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na-2H"	20.974666
"97488"	337.143463	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-H+Cl"	33.962126
"535224"	497.224663	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-H+Cl"	33.962126
"929470"	177.062263	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+Cl"	33.962126
"267293"	675.294202	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Cl"	34.969402
"668104"	995.456602	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+Cl"	34.969402
"1273947"	355.131802	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl"	34.969402
"15845"	677.273406	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M-2H+K"	36.948606
"456064"	997.435806	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M-2H+K"	36.948606
"832831"	357.111006	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-2H+K"	36.948606
"1556134"	357.111006	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K-2H"	36.948606
"943047"	365.160594	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+HCOOH"	44.998194
"374402"	685.323001	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+HCOOH-H"	44.998201
"359011"	699.338651	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Hac-H"	59.013851
"1505656"	379.176251	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Hac-H"	59.013851
"969190"	387.142551	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+NaCOOH"	66.980151
"123562"	355.131802	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2Cl"	69.938804
"563123"	515.213002	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2Cl"	69.938804
"1033750"	195.050602	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2Cl"	69.938804
"1249315"	399.081285	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Br"	78.918885
"1309575"	401.137272	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl+HCOOH"	80.974872
"1327073"	423.119229	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl+NaCOOH"	102.956829
"918129"	433.147986	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M-H+CF3COOH"	112.985586
"1300308"	469.124664	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Cl+CF3COOH"	148.962264
"1376282"	285.149724	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H-2H2O"	-35.012676
"1384664"	303.1597	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H-H2O"	-17.0027
"296021"	641.332076	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H"	1.007276
"689174"	961.494476	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H"	1.007276
"1365526"	321.169676	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H"	1.007276
"137318"	321.169676	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2H"	2.014552
"570313"	481.250876	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2H"	2.014552
"1039227"	161.088476	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2H"	2.014552
"205793"	214.448876	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+3H"	3.021828
"649855"	321.169676	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+3H"	3.021828
"1166154"	107.728076	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+3H"	3.021828
"435638"	658.358623	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+NH4"	18.033823
"798092"	978.521023	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+NH4"	18.033823
"1694422"	338.196223	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+NH4"	18.033823
"343428"	329.6829495	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H+NH4"	19.041099
"736578"	489.7641495	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H+NH4"	19.041099
"1491736"	169.6017495	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+NH4"	19.041099
"403243"	663.314018	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Na"	22.989218
"764971"	983.476418	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+Na"	22.989218
"1615617"	343.151618	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na"	22.989218
"324193"	332.160647	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H+Na"	23.996494
"715520"	492.241847	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H+Na"	23.996494
"1469340"	172.079447	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+Na"	23.996494
"1061491"	115.05539	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2H+Na"	25.00377
"1263170"	353.195886	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+CH3OH+H"	33.033486
"386121"	679.287958	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+K"	38.963158
"746024"	999.450358	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+K"	38.963158
"1551357"	359.125558	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K"	38.963158
"305254"	340.147617	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+H+K"	39.970434
"701692"	500.228817	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+H+K"	39.970434
"1458793"	180.066417	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+K"	39.970434
"249582"	682.358626	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+ACN+H"	42.033826
"1219373"	362.196226	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+ACN+H"	42.033826
"1199977"	181.601751	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+ACN+2H"	43.041102
"200867"	685.29596	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2Na-H"	44.97116
"641885"	1005.45836	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2Na-H"	44.97116
"1145271"	365.13356	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2Na-H"	44.97116
"186009"	343.151618	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2Na"	45.978436
"627149"	503.232818	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2Na"	45.978436
"1123363"	183.070418	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2Na"	45.978436
"1409074"	122.382704	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+2Na"	46.985712
"1433536"	367.175146	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+HCOOH"	47.012746
"223233"	348.18464	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+3H2O+2H"	56.04448
"1512022"	381.22719	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+IsoProp+H"	61.06479
"411345"	351.138588	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+Na+K"	61.952376
"773070"	511.219788	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+Na+K"	61.952376
"1669034"	191.057388	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na+K"	61.952376
"259208"	704.340568	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+ACN+Na"	64.015768
"1232646"	384.178168	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+ACN+Na"	64.015768
"1722992"	384.201693	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+NH4+HCOOH"	64.039293
"1193582"	129.710018	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+3Na"	68.967654
"1665296"	389.157088	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na+HCOOH"	68.994688
"172037"	717.24384	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2K-H"	76.91904
"610863"	1037.40624	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2K-H"	76.91904
"1094646"	397.08144	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2K-H"	76.91904
"152556"	359.125558	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"2M+2K"	77.926316
"592117"	519.206758	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"3M+2K"	77.926316
"1081006"	199.044358	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2K"	77.926316
"1109842"	399.095992	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2K+H"	78.933592
"1339669"	399.183607	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+DMSO+H"	79.021207
"1008196"	403.222776	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2ACN+H"	83.060376
"1527416"	404.216408	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+IsoProp+Na+H"	84.054008
"991312"	202.115026	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+2ACN+2H"	84.067652
"1587638"	405.131028	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K+HCOOH"	84.968628
"1424963"	435.162538	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+H+CF3COOH"	115.000138
"1161812"	222.628301	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+3ACN+2H"	125.094202
"1702616"	452.189085	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+NH4+CF3COOH"	132.026685
"1640453"	457.14448	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+Na+CF3COOH"	136.98208
"1571604"	473.11842	"C14751"	"beta-Zearalenol;beta-trans-Zearalenol"	"C18H24O5"	"320.1624"	"M+K+CF3COOH"	152.95602
"811939"	322.178	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M"	0
"986568"	303.15961	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-H2O-H"	-19.01839
"71531"	213.778057333333	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M-3H"	-3.021828
"503082"	321.170724	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M-3H"	-3.021828
"881600"	106.385390666667	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-3H"	-3.021828
"2001"	321.170724	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M-2H"	-2.014552
"442655"	482.259724	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M-2H"	-2.014552
"820458"	160.081724	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-2H"	-2.014552
"81177"	643.348724	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M-H"	-1.007276
"525475"	965.526724	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M-H"	-1.007276
"903278"	321.170724	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-H"	-1.007276
"55464"	660.375271	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M-2H+NH4"	16.019271
"492836"	982.553271	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M-2H+NH4"	16.019271
"874651"	338.197271	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-2H+NH4"	16.019271
"38541"	665.330666	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M-2H+Na"	20.974666
"481390"	987.508666	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M-2H+Na"	20.974666
"859188"	343.152666	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-2H+Na"	20.974666
"1624347"	343.152666	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Na-2H"	20.974666
"97598"	339.159063	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M-H+Cl"	33.962126
"535820"	500.248063	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M-H+Cl"	33.962126
"928486"	178.070063	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-H+Cl"	33.962126
"267888"	679.325402	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+Cl"	34.969402
"669308"	1001.503402	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+Cl"	34.969402
"1276244"	357.147402	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Cl"	34.969402
"16484"	681.304606	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M-2H+K"	36.948606
"456902"	1003.482606	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M-2H+K"	36.948606
"833602"	359.126606	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-2H+K"	36.948606
"1556484"	359.126606	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+K-2H"	36.948606
"944251"	367.176194	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-H+HCOOH"	44.998194
"373416"	689.354201	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+HCOOH-H"	44.998201
"359121"	703.369851	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+Hac-H"	59.013851
"1505037"	381.191851	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Hac-H"	59.013851
"969299"	389.158151	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-H+NaCOOH"	66.980151
"121486"	357.147402	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+2Cl"	69.938804
"563233"	518.236402	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+2Cl"	69.938804
"1033494"	196.058402	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2Cl"	69.938804
"1249425"	401.096885	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Br"	78.918885
"1308591"	403.152872	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Cl+HCOOH"	80.974872
"1327183"	425.134829	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Cl+NaCOOH"	102.956829
"917146"	435.163586	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M-H+CF3COOH"	112.985586
"1300418"	471.140264	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Cl+CF3COOH"	148.962264
"1376392"	287.165324	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H-2H2O"	-35.012676
"1386596"	305.1753	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H-H2O"	-17.0027
"290296"	645.363276	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+H"	1.007276
"683811"	967.541276	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+H"	1.007276
"1362349"	323.185276	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H"	1.007276
"135237"	323.185276	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+2H"	2.014552
"570421"	484.274276	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+2H"	2.014552
"1039215"	162.096276	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2H"	2.014552
"204685"	215.792609333333	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+3H"	3.021828
"647049"	323.185276	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+3H"	3.021828
"1166990"	108.399942666667	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+3H"	3.021828
"430276"	662.389823	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+NH4"	18.033823
"796373"	984.567823	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+NH4"	18.033823
"1693070"	340.211823	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+NH4"	18.033823
"343903"	331.6985495	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+H+NH4"	19.041099
"736686"	492.7875495	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+H+NH4"	19.041099
"1490868"	170.6095495	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H+NH4"	19.041099
"400800"	667.345218	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+Na"	22.989218
"763988"	989.523218	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+Na"	22.989218
"1616455"	345.167218	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Na"	22.989218
"322115"	334.176247	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+H+Na"	23.996494
"711256"	495.265247	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+H+Na"	23.996494
"1468356"	173.087247	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H+Na"	23.996494
"1059414"	115.727256666667	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2H+Na"	25.00377
"1261094"	355.211486	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+CH3OH+H"	33.033486
"381858"	683.319158	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+K"	38.963158
"746134"	1005.497158	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+K"	38.963158
"1546000"	361.141158	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+K"	38.963158
"304271"	342.163217	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+H+K"	39.970434
"703258"	503.252217	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+H+K"	39.970434
"1454894"	181.074217	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H+K"	39.970434
"246775"	686.389826	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+ACN+H"	42.033826
"1215108"	364.211826	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+ACN+H"	42.033826
"1201180"	182.609551	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+ACN+2H"	43.041102
"199517"	689.32716	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+2Na-H"	44.97116
"635797"	1011.50516	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+2Na-H"	44.97116
"1142583"	367.14916	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2Na-H"	44.97116
"185873"	345.167218	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+2Na"	45.978436
"624341"	506.256218	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+2Na"	45.978436
"1125657"	184.078218	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2Na"	45.978436
"1410275"	123.054570666667	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H+2Na"	46.985712
"1439111"	369.190746	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H+HCOOH"	47.012746
"223343"	350.20024	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+3H2O+2H"	56.04448
"1511404"	383.24279	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+IsoProp+H"	61.06479
"410726"	353.154188	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+Na+K"	61.952376
"774639"	514.243188	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+Na+K"	61.952376
"1666960"	192.065188	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Na+K"	61.952376
"259318"	708.371768	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+ACN+Na"	64.015768
"1233120"	386.193768	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+ACN+Na"	64.015768
"1718725"	386.217293	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+NH4+HCOOH"	64.039293
"1192833"	130.381884666667	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+3Na"	68.967654
"1661633"	391.172688	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Na+HCOOH"	68.994688
"170681"	721.27504	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+2K-H"	76.91904
"606960"	1043.45304	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+2K-H"	76.91904
"1090380"	399.09704	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2K-H"	76.91904
"153756"	361.141158	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"2M+2K"	77.926316
"592227"	522.230158	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"3M+2K"	77.926316
"1081116"	200.052158	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2K"	77.926316
"1109952"	401.111592	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2K+H"	78.933592
"1339779"	401.199207	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+DMSO+H"	79.021207
"1008306"	405.238376	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2ACN+H"	83.060376
"1528619"	406.232008	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+IsoProp+Na+H"	84.054008
"991422"	203.122826	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+2ACN+2H"	84.067652
"1588112"	407.146628	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+K+HCOOH"	84.968628
"1425073"	437.178138	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+H+CF3COOH"	115.000138
"1161922"	223.636101	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+3ACN+2H"	125.094202
"1700539"	454.204685	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+NH4+CF3COOH"	132.026685
"1637283"	459.16008	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+Na+CF3COOH"	136.98208
"1572201"	475.13402	"C14752"	"alpha-Zearalanol;Zeranol"	"C18H26O5"	"322.178"	"M+K+CF3COOH"	152.95602
"814236"	322.178	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M"	0
"987771"	303.15961	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-H2O-H"	-19.01839
"68361"	213.778057333333	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M-3H"	-3.021828
"511198"	321.170724	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M-3H"	-3.021828
"881710"	106.385390666667	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-3H"	-3.021828
"2104"	321.170724	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M-2H"	-2.014552
"441304"	482.259724	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M-2H"	-2.014552
"818256"	160.081724	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-2H"	-2.014552
"80922"	643.348724	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M-H"	-1.007276
"523397"	965.526724	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M-H"	-1.007276
"898283"	321.170724	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-H"	-1.007276
"50106"	660.375271	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M-2H+NH4"	16.019271
"491123"	982.553271	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M-2H+NH4"	16.019271
"878406"	338.197271	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-2H+NH4"	16.019271
"38651"	665.330666	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M-2H+Na"	20.974666
"483683"	987.508666	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M-2H+Na"	20.974666
"858204"	343.152666	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-2H+Na"	20.974666
"1625550"	343.152666	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Na-2H"	20.974666
"95883"	339.159063	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M-H+Cl"	33.962126
"536172"	500.248063	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M-H+Cl"	33.962126
"931877"	178.070063	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-H+Cl"	33.962126
"268849"	679.325402	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+Cl"	34.969402
"669417"	1001.503402	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+Cl"	34.969402
"1279634"	357.147402	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Cl"	34.969402
"16960"	681.304606	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M-2H+K"	36.948606
"459928"	1003.482606	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M-2H+K"	36.948606
"834077"	359.126606	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-2H+K"	36.948606
"1556593"	359.126606	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+K-2H"	36.948606
"944726"	367.176194	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-H+HCOOH"	44.998194
"366959"	689.354201	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+HCOOH-H"	44.998201
"357774"	703.369851	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+Hac-H"	59.013851
"1502960"	381.191851	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Hac-H"	59.013851
"967222"	389.158151	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-H+NaCOOH"	66.980151
"121596"	357.147402	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+2Cl"	69.938804
"554596"	518.236402	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+2Cl"	69.938804
"1032144"	196.058402	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2Cl"	69.938804
"1250628"	401.096885	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Br"	78.918885
"1304932"	403.152872	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Cl+HCOOH"	80.974872
"1324009"	425.134829	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Cl+NaCOOH"	102.956829
"916890"	435.163586	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M-H+CF3COOH"	112.985586
"1300528"	471.140264	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Cl+CF3COOH"	148.962264
"1376502"	287.165324	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H-2H2O"	-35.012676
"1385612"	305.1753	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H-H2O"	-17.0027
"290406"	645.363276	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+H"	1.007276
"683921"	967.541276	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+H"	1.007276
"1362095"	323.185276	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H"	1.007276
"132067"	323.185276	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+2H"	2.014552
"566886"	484.274276	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+2H"	2.014552
"1038232"	162.096276	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2H"	2.014552
"204916"	215.792609333333	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+3H"	3.021828
"650075"	323.185276	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+3H"	3.021828
"1166008"	108.399942666667	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+3H"	3.021828
"431479"	662.389823	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+NH4"	18.033823
"793566"	984.567823	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+NH4"	18.033823
"1684428"	340.211823	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+NH4"	18.033823
"344014"	331.6985495	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+H+NH4"	19.041099
"737161"	492.7875495	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+H+NH4"	19.041099
"1487698"	170.6095495	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H+NH4"	19.041099
"395441"	667.345218	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+Na"	22.989218
"766281"	989.523218	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+Na"	22.989218
"1611096"	345.167218	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Na"	22.989218
"321132"	334.176247	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+H+Na"	23.996494
"710271"	495.265247	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+H+Na"	23.996494
"1464090"	173.087247	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H+Na"	23.996494
"1056241"	115.727256666667	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2H+Na"	25.00377
"1260111"	355.211486	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+CH3OH+H"	33.033486
"384154"	683.319158	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+K"	38.963158
"748429"	1005.497158	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+K"	38.963158
"1545014"	361.141158	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+K"	38.963158
"302192"	342.163217	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+H+K"	39.970434
"700088"	503.252217	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+H+K"	39.970434
"1455004"	181.074217	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H+K"	39.970434
"246885"	686.389826	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+ACN+H"	42.033826
"1217406"	364.211826	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+ACN+H"	42.033826
"1200196"	182.609551	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+ACN+2H"	43.041102
"200720"	689.32716	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+2Na-H"	44.97116
"641374"	1011.50516	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+2Na-H"	44.97116
"1142693"	367.14916	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2Na-H"	44.97116
"185982"	345.167218	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+2Na"	45.978436
"627365"	506.256218	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+2Na"	45.978436
"1130140"	184.078218	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2Na"	45.978436
"1410384"	123.054570666667	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H+2Na"	46.985712
"1441408"	369.190746	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H+HCOOH"	47.012746
"223814"	350.20024	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+3H2O+2H"	56.04448
"1511514"	383.24279	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+IsoProp+H"	61.06479
"411561"	353.154188	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+Na+K"	61.952376
"774385"	514.243188	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+Na+K"	61.952376
"1667800"	192.065188	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Na+K"	61.952376
"262342"	708.371768	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+ACN+Na"	64.015768
"1232134"	386.193768	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+ACN+Na"	64.015768
"1714093"	386.217293	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+NH4+HCOOH"	64.039293
"1184196"	130.381884666667	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+3Na"	68.967654
"1662836"	391.172688	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Na+HCOOH"	68.994688
"167510"	721.27504	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+2K-H"	76.91904
"608163"	1043.45304	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+2K-H"	76.91904
"1091584"	399.09704	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2K-H"	76.91904
"152773"	361.141158	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"2M+2K"	77.926316
"592337"	522.230158	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"3M+2K"	77.926316
"1081226"	200.052158	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2K"	77.926316
"1110062"	401.111592	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2K+H"	78.933592
"1339889"	401.199207	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+DMSO+H"	79.021207
"1008415"	405.238376	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2ACN+H"	83.060376
"1525813"	406.232008	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+IsoProp+Na+H"	84.054008
"991168"	203.122826	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+2ACN+2H"	84.067652
"1587858"	407.146628	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+K+HCOOH"	84.968628
"1425183"	437.178138	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+H+CF3COOH"	115.000138
"1158752"	223.636101	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+3ACN+2H"	125.094202
"1700649"	454.204685	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+NH4+CF3COOH"	132.026685
"1638486"	459.16008	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+Na+CF3COOH"	136.98208
"1575229"	475.13402	"C14753"	"beta-Zearalanol;Taleranol"	"C18H26O5"	"322.178"	"M+K+CF3COOH"	152.95602
"812159"	320.1624	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M"	0
"987882"	301.14401	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-H2O-H"	-19.01839
"69564"	212.434324	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M-3H"	-3.021828
"509122"	319.155124	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M-3H"	-3.021828
"883644"	105.713524	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-3H"	-3.021828
"677"	319.155124	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M-2H"	-2.014552
"442508"	479.236324	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M-2H"	-2.014552
"820677"	159.073924	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-2H"	-2.014552
"82855"	639.317524	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M-H"	-1.007276
"522049"	959.479924	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M-H"	-1.007276
"897054"	319.155124	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-H"	-1.007276
"50581"	656.344071	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M-2H+NH4"	16.019271
"490139"	976.506471	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M-2H+NH4"	16.019271
"878151"	336.181671	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-2H+NH4"	16.019271
"37668"	661.299466	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M-2H+Na"	20.974666
"484157"	981.461866	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M-2H+Na"	20.974666
"860500"	341.137066	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-2H+Na"	20.974666
"1625660"	341.137066	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Na-2H"	20.974666
"95625"	337.143463	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M-H+Cl"	33.962126
"538833"	497.224663	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M-H+Cl"	33.962126
"933080"	177.062263	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-H+Cl"	33.962126
"270904"	675.294202	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+Cl"	34.969402
"664060"	995.456602	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+Cl"	34.969402
"1279744"	355.131802	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Cl"	34.969402
"16463"	677.273406	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M-2H+K"	36.948606
"461131"	997.435806	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M-2H+K"	36.948606
"833256"	357.111006	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-2H+K"	36.948606
"1555973"	357.111006	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+K-2H"	36.948606
"943007"	365.160594	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-H+HCOOH"	44.998194
"362201"	685.323001	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+HCOOH-H"	44.998201
"348029"	699.338651	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+Hac-H"	59.013851
"1504893"	379.176251	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Hac-H"	59.013851
"970977"	387.142551	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-H+NaCOOH"	66.980151
"123528"	355.131802	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+2Cl"	69.938804
"560172"	515.213002	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+2Cl"	69.938804
"1033347"	195.050602	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2Cl"	69.938804
"1250738"	399.081285	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Br"	78.918885
"1305650"	401.137272	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Cl+HCOOH"	80.974872
"1325212"	423.119229	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Cl+NaCOOH"	102.956829
"916272"	433.147986	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M-H+CF3COOH"	112.985586
"1303190"	469.124664	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Cl+CF3COOH"	148.962264
"1379892"	285.149724	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H-2H2O"	-35.012676
"1387545"	303.1597	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H-H2O"	-17.0027
"293068"	641.332076	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+H"	1.007276
"684031"	961.494476	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+H"	1.007276
"1362934"	321.169676	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H"	1.007276
"132177"	321.169676	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+2H"	2.014552
"570643"	481.250876	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+2H"	2.014552
"1040169"	161.088476	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2H"	2.014552
"205270"	214.448876	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+3H"	3.021828
"652372"	321.169676	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+3H"	3.021828
"1165754"	107.728076	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+3H"	3.021828
"433775"	658.358623	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+NH4"	18.033823
"794769"	978.521023	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+NH4"	18.033823
"1688910"	338.196223	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+NH4"	18.033823
"335000"	329.6829495	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+H+NH4"	19.041099
"735811"	489.7641495	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+H+NH4"	19.041099
"1485621"	169.6017495	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H+NH4"	19.041099
"396643"	663.314018	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+Na"	22.989218
"758737"	983.476418	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+Na"	22.989218
"1609021"	343.151618	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Na"	22.989218
"321241"	332.160647	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+H+Na"	23.996494
"710381"	492.241847	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+H+Na"	23.996494
"1463107"	172.079447	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H+Na"	23.996494
"1054285"	115.05539	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2H+Na"	25.00377
"1260220"	353.195886	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+CH3OH+H"	33.033486
"379160"	679.287958	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+K"	38.963158
"744165"	999.450358	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+K"	38.963158
"1545126"	359.125558	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+K"	38.963158
"307770"	340.147617	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+H+K"	39.970434
"698011"	500.228817	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+H+K"	39.970434
"1455114"	180.066417	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H+K"	39.970434
"246995"	682.358626	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+ACN+H"	42.033826
"1212050"	362.196226	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+ACN+H"	42.033826
"1198118"	181.601751	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+ACN+2H"	43.041102
"195363"	685.29596	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+2Na-H"	44.97116
"636016"	1005.45836	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+2Na-H"	44.97116
"1140616"	365.13356	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2Na-H"	44.97116
"182812"	343.151618	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+2Na"	45.978436
"623467"	503.232818	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+2Na"	45.978436
"1128065"	183.070418	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2Na"	45.978436
"1409401"	122.382704	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H+2Na"	46.985712
"1438238"	367.175146	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H+HCOOH"	47.012746
"222467"	348.18464	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+3H2O+2H"	56.04448
"1512717"	381.22719	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+IsoProp+H"	61.06479
"410944"	351.138588	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+Na+K"	61.952376
"774495"	511.219788	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+Na+K"	61.952376
"1666570"	191.057388	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Na+K"	61.952376
"262816"	704.340568	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+ACN+Na"	64.015768
"1232244"	384.178168	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+ACN+Na"	64.015768
"1713837"	384.201693	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+NH4+HCOOH"	64.039293
"1189772"	129.710018	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+3Na"	68.967654
"1664040"	389.157088	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Na+HCOOH"	68.994688
"169807"	717.24384	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+2K-H"	76.91904
"608273"	1037.40624	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+2K-H"	76.91904
"1093880"	397.08144	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2K-H"	76.91904
"153975"	359.125558	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"2M+2K"	77.926316
"584063"	519.206758	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"3M+2K"	77.926316
"1078057"	199.044358	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2K"	77.926316
"1110172"	399.095992	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2K+H"	78.933592
"1339999"	399.183607	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+DMSO+H"	79.021207
"1008889"	403.222776	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2ACN+H"	83.060376
"1526653"	404.216408	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+IsoProp+Na+H"	84.054008
"991276"	202.115026	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+2ACN+2H"	84.067652
"1590885"	405.131028	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+K+HCOOH"	84.968628
"1428573"	435.162538	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+H+CF3COOH"	115.000138
"1158862"	222.628301	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+3ACN+2H"	125.094202
"1700759"	452.189085	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+NH4+CF3COOH"	132.026685
"1638596"	457.14448	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+Na+CF3COOH"	136.98208
"1575339"	473.11842	"C14754"	"Zearalanone;(S)-Zearalanone"	"C18H24O5"	"320.1624"	"M+K+CF3COOH"	152.95602
"811176"	204.0342	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M"	0
"986900"	185.01581	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H2O-H"	-19.01839
"68580"	135.015524	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-3H"	-3.021828
"509232"	203.026924	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-3H"	-3.021828
"882658"	67.004124	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-3H"	-3.021828
"869"	203.026924	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H"	-2.014552
"441890"	305.044024	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H"	-2.014552
"820787"	101.009824	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H"	-2.014552
"81142"	407.061124	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-H"	-1.007276
"524712"	611.095324	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-H"	-1.007276
"897775"	203.026924	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H"	-1.007276
"50328"	424.087671	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H+NH4"	16.019271
"490980"	628.121871	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H+NH4"	16.019271
"876439"	220.053471	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H+NH4"	16.019271
"39965"	429.043066	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H+Na"	20.974666
"482809"	633.077266	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H+Na"	20.974666
"860610"	225.008866	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H+Na"	20.974666
"1626864"	225.008866	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na-2H"	20.974666
"95737"	221.015263	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-H+Cl"	33.962126
"538579"	323.032363	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-H+Cl"	33.962126
"931003"	118.998163	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+Cl"	33.962126
"267611"	443.037802	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Cl"	34.969402
"663441"	647.072002	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+Cl"	34.969402
"1279854"	239.003602	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl"	34.969402
"15843"	445.017006	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M-2H+K"	36.948606
"460877"	649.051206	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M-2H+K"	36.948606
"832997"	240.982806	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-2H+K"	36.948606
"1555883"	240.982806	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K-2H"	36.948606
"943117"	249.032394	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+HCOOH"	44.998194
"361653"	453.066601	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+HCOOH-H"	44.998201
"347411"	467.082251	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Hac-H"	59.013851
"1499170"	263.048051	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Hac-H"	59.013851
"969629"	271.014351	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+NaCOOH"	66.980151
"120721"	239.003602	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2Cl"	69.938804
"558095"	341.020702	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2Cl"	69.938804
"1030177"	136.986502	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2Cl"	69.938804
"1247201"	282.953085	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Br"	78.918885
"1304910"	285.009072	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl+HCOOH"	80.974872
"1323135"	306.991029	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl+NaCOOH"	102.956829
"911385"	317.019786	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M-H+CF3COOH"	112.985586
"1300383"	352.996464	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Cl+CF3COOH"	148.962264
"1380367"	169.021524	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H-2H2O"	-35.012676
"1387655"	187.0315	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H-H2O"	-17.0027
"293178"	409.075676	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H"	1.007276
"685234"	613.109876	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H"	1.007276
"1363044"	205.041476	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H"	1.007276
"132287"	205.041476	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2H"	2.014552
"569660"	307.058576	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2H"	2.014552
"1040643"	103.024376	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2H"	2.014552
"204772"	137.030076	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+3H"	3.021828
"652482"	205.041476	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+3H"	3.021828
"1164771"	69.018676	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+3H"	3.021828
"434978"	426.102223	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+NH4"	18.033823
"795972"	630.136423	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+NH4"	18.033823
"1687927"	222.068023	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+NH4"	18.033823
"331831"	213.5547495	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H+NH4"	19.041099
"726437"	315.5718495	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H+NH4"	19.041099
"1483542"	111.5376495	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+NH4"	19.041099
"397846"	431.057618	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Na"	22.989218
"756660"	635.091818	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+Na"	22.989218
"1609129"	227.023418	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na"	22.989218
"321352"	216.032447	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H+Na"	23.996494
"711585"	318.049547	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H+Na"	23.996494
"1466498"	114.015347	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+Na"	23.996494
"1056461"	76.34599	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2H+Na"	25.00377
"1261787"	237.067686	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+CH3OH+H"	33.033486
"382185"	447.031558	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+K"	38.963158
"745368"	651.065758	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+K"	38.963158
"1543411"	242.997358	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K"	38.963158
"304600"	224.019417	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+H+K"	39.970434
"698121"	326.036517	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+H+K"	39.970434
"1458140"	122.002317	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+K"	39.970434
"244918"	450.102226	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+ACN+H"	42.033826
"1214348"	246.068026	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+ACN+H"	42.033826
"1196043"	123.537651	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+ACN+2H"	43.041102
"193287"	453.03956	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2Na-H"	44.97116
"635033"	657.07376	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2Na-H"	44.97116
"1139633"	249.00536	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2Na-H"	44.97116
"181828"	227.023418	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2Na"	45.978436
"622849"	329.040518	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2Na"	45.978436
"1125261"	125.006318	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2Na"	45.978436
"1408786"	83.673304	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+2Na"	46.985712
"1439442"	251.046946	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+HCOOH"	47.012746
"222577"	232.05644	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+3H2O+2H"	56.04448
"1510637"	265.09899	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+IsoProp+H"	61.06479
"410326"	235.010388	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+Na+K"	61.952376
"774605"	337.027488	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+Na+K"	61.952376
"1667656"	132.993288	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na+K"	61.952376
"259646"	472.084168	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+ACN+Na"	64.015768
"1232354"	268.049968	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+ACN+Na"	64.015768
"1714432"	268.073493	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+NH4+HCOOH"	64.039293
"1189882"	91.000618	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+3Na"	68.967654
"1663057"	273.028888	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na+HCOOH"	68.994688
"168824"	484.98744	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2K-H"	76.91904
"608383"	689.02164	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2K-H"	76.91904
"1093990"	280.95324	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2K-H"	76.91904
"149712"	242.997358	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"2M+2K"	77.926316
"584173"	345.014458	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"3M+2K"	77.926316
"1080352"	140.980258	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2K"	77.926316
"1107001"	282.967792	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2K+H"	78.933592
"1341202"	283.055407	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+DMSO+H"	79.021207
"1007906"	287.094576	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2ACN+H"	83.060376
"1527856"	288.088208	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+IsoProp+Na+H"	84.054008
"992117"	144.050926	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+2ACN+2H"	84.067652
"1592088"	289.002828	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K+HCOOH"	84.968628
"1425403"	319.034338	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+H+CF3COOH"	115.000138
"1156785"	164.564201	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+3ACN+2H"	125.094202
"1700869"	336.060885	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+NH4+CF3COOH"	132.026685
"1638706"	341.01628	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+Na+CF3COOH"	136.98208
"1575449"	356.99022	"C14755"	"2-Chloro-4-biphenylol;2-Chloro-4-hydroxybiphenyl"	"C12H9ClO"	"204.0342"	"M+K+CF3COOH"	152.95602
"811286"	339.8783	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M"	0
"987375"	320.85991	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H2O-H"	-19.01839
"75250"	225.578257333333	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-3H"	-3.021828
"512623"	338.871024	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-3H"	-3.021828
"884956"	112.285490666667	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-3H"	-3.021828
"982"	338.871024	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H"	-2.014552
"445281"	508.810174	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H"	-2.014552
"823085"	168.931874	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H"	-2.014552
"84169"	678.749324	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H"	-1.007276
"524822"	1018.627624	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H"	-1.007276
"898251"	338.871024	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H"	-1.007276
"51531"	695.775871	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+NH4"	16.019271
"491090"	1035.654171	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+NH4"	16.019271
"876428"	355.897571	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+NH4"	16.019271
"37889"	700.731266	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+Na"	20.974666
"485107"	1040.609566	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+Na"	20.974666
"858535"	360.852966	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+Na"	20.974666
"1629162"	360.852966	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na-2H"	20.974666
"99128"	356.859363	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-H+Cl"	33.962126
"538689"	526.798513	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-H+Cl"	33.962126
"932207"	186.920213	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+Cl"	33.962126
"269060"	714.726002	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Cl"	34.969402
"661364"	1054.604302	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Cl"	34.969402
"1279964"	374.847702	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl"	34.969402
"16563"	716.705206	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M-2H+K"	36.948606
"464268"	1056.583506	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M-2H+K"	36.948606
"833158"	376.826906	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-2H+K"	36.948606
"1555836"	376.826906	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K-2H"	36.948606
"943025"	384.876494	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+HCOOH"	44.998194
"364732"	724.754801	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+HCOOH-H"	44.998201
"348982"	738.770451	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Hac-H"	59.013851
"1493803"	398.892151	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Hac-H"	59.013851
"969739"	406.858451	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+NaCOOH"	66.980151
"114998"	374.847702	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Cl"	69.938804
"559299"	544.786852	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Cl"	69.938804
"1026273"	204.908552	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Cl"	69.938804
"1248041"	418.797185	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Br"	78.918885
"1307207"	420.853172	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+HCOOH"	80.974872
"1323245"	442.835129	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+NaCOOH"	102.956829
"912111"	452.863886	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M-H+CF3COOH"	112.985586
"1300857"	488.840564	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Cl+CF3COOH"	148.962264
"1374644"	304.865624	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-2H2O"	-35.012676
"1386672"	322.8756	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H-H2O"	-17.0027
"293652"	680.763876	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H"	1.007276
"684251"	1020.642176	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H"	1.007276
"1365340"	340.885576	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H"	1.007276
"132397"	340.885576	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2H"	2.014552
"569770"	510.824726	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2H"	2.014552
"1040025"	170.946426	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H"	2.014552
"205248"	227.592809333333	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H"	3.021828
"652592"	340.885576	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+3H"	3.021828
"1164881"	114.300042666667	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3H"	3.021828
"437275"	697.790423	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+NH4"	18.033823
"796083"	1037.668723	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+NH4"	18.033823
"1684757"	357.912123	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4"	18.033823
"333034"	349.3988495	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+NH4"	19.041099
"726547"	519.3379995	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+NH4"	19.041099
"1483651"	179.4596995	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+NH4"	19.041099
"394676"	702.745818	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na"	22.989218
"760049"	1042.624118	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na"	22.989218
"1610332"	362.867518	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na"	22.989218
"320368"	351.876547	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+Na"	23.996494
"710602"	521.815697	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+Na"	23.996494
"1463328"	181.937397	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+Na"	23.996494
"1053412"	121.627356666667	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2H+Na"	25.00377
"1261533"	372.911786	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+CH3OH+H"	33.033486
"382296"	718.719758	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+K"	38.963158
"747665"	1058.598058	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+K"	38.963158
"1543524"	378.841458	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K"	38.963158
"304710"	359.863517	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+H+K"	39.970434
"701511"	529.802667	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+H+K"	39.970434
"1459588"	189.924367	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+K"	39.970434
"245030"	721.790426	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+H"	42.033826
"1219927"	381.912126	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+H"	42.033826
"1200527"	191.459701	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+2H"	43.041102
"198866"	724.72776	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na-H"	44.97116
"638425"	1064.60606	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na-H"	44.97116
"1143755"	384.84946	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na-H"	44.97116
"184127"	362.867518	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2Na"	45.978436
"623322"	532.806668	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2Na"	45.978436
"1125372"	192.928368	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2Na"	45.978436
"1408896"	128.954670666667	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+2Na"	46.985712
"1439190"	386.891046	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+HCOOH"	47.012746
"229246"	367.90054	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+3H2O+2H"	56.04448
"1511112"	400.94309	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+H"	61.06479
"415175"	370.854488	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+Na+K"	61.952376
"773622"	540.793638	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+Na+K"	61.952376
"1669953"	200.915338	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+K"	61.952376
"261579"	743.772368	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+ACN+Na"	64.015768
"1231371"	403.894068	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+ACN+Na"	64.015768
"1713694"	403.917593	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+HCOOH"	64.039293
"1193272"	136.281984666667	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3Na"	68.967654
"1663167"	408.872988	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+HCOOH"	68.994688
"171121"	756.67564	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K-H"	76.91904
"611652"	1096.55394	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K-H"	76.91904
"1098230"	416.79734	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K-H"	76.91904
"149821"	378.841458	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"2M+2K"	77.926316
"587199"	548.780608	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"3M+2K"	77.926316
"1078275"	208.902308	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K"	77.926316
"1110390"	418.811892	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2K+H"	78.933592
"1343500"	418.899507	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+DMSO+H"	79.021207
"1009112"	422.938676	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+H"	83.060376
"1525779"	423.932308	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+IsoProp+Na+H"	84.054008
"991498"	211.972976	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+2ACN+2H"	84.067652
"1592198"	424.846928	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+HCOOH"	84.968628
"1422233"	454.878438	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+H+CF3COOH"	115.000138
"1156895"	232.486251	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+3ACN+2H"	125.094202
"1699156"	471.904985	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+NH4+CF3COOH"	132.026685
"1637723"	476.86038	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+Na+CF3COOH"	136.98208
"1575559"	492.83432	"C14756"	"22366-Pentachloro-4-biphenylol"	"C12H5Cl5O"	"339.8783"	"M+K+CF3COOH"	152.95602
"809210"	326.1882	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M"	0
"979465"	307.16981	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-H2O-H"	-19.01839
"63409"	216.451524	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M-3H"	-3.021828
"503986"	325.180924	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M-3H"	-3.021828
"880487"	107.722124	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-3H"	-3.021828
"726"	325.180924	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M-2H"	-2.014552
"443204"	488.275024	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M-2H"	-2.014552
"823195"	162.086824	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-2H"	-2.014552
"83186"	651.369124	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M-H"	-1.007276
"522015"	977.557324	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M-H"	-1.007276
"900547"	325.180924	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-H"	-1.007276
"54924"	668.395671	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M-2H+NH4"	16.019271
"496671"	994.583871	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M-2H+NH4"	16.019271
"869005"	342.207471	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-2H+NH4"	16.019271
"35812"	673.351066	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M-2H+Na"	20.974666
"475380"	999.539266	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M-2H+Na"	20.974666
"853181"	347.162866	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-2H+Na"	20.974666
"1621617"	347.162866	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Na-2H"	20.974666
"100336"	343.169263	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M-H+Cl"	33.962126
"535521"	506.263363	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M-H+Cl"	33.962126
"932319"	180.075163	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-H+Cl"	33.962126
"273062"	687.345802	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+Cl"	34.969402
"669859"	1013.534002	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+Cl"	34.969402
"1283355"	361.157602	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Cl"	34.969402
"23724"	689.325006	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M-2H+K"	36.948606
"461099"	1015.513206	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M-2H+K"	36.948606
"842180"	363.136806	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-2H+K"	36.948606
"1559109"	363.136806	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+K-2H"	36.948606
"950271"	371.186394	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-H+HCOOH"	44.998194
"363019"	697.374601	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+HCOOH-H"	44.998201
"347998"	711.390251	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+Hac-H"	59.013851
"1493912"	385.202051	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Hac-H"	59.013851
"960366"	393.168351	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-H+NaCOOH"	66.980151
"112556"	361.157602	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+2Cl"	69.938804
"555398"	524.251702	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+2Cl"	69.938804
"1023831"	198.063502	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2Cl"	69.938804
"1244870"	405.107085	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Br"	78.918885
"1304682"	407.163072	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Cl+HCOOH"	80.974872
"1322990"	429.145029	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Cl+NaCOOH"	102.956829
"914410"	439.173786	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M-H+CF3COOH"	112.985586
"1289292"	475.150464	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Cl+CF3COOH"	148.962264
"1367938"	291.175524	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H-2H2O"	-35.012676
"1385317"	309.1855	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H-H2O"	-17.0027
"293398"	653.383676	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+H"	1.007276
"683997"	979.571876	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+H"	1.007276
"1364721"	327.195476	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H"	1.007276
"130318"	327.195476	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+2H"	2.014552
"569880"	490.289576	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+2H"	2.014552
"1039771"	164.101376	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2H"	2.014552
"206210"	218.466076	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+3H"	3.021828
"649419"	327.195476	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+3H"	3.021828
"1168636"	109.736676	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+3H"	3.021828
"435199"	670.410223	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+NH4"	18.033823
"795100"	996.598423	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+NH4"	18.033823
"1683774"	344.222023	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+NH4"	18.033823
"332415"	335.7087495	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+H+NH4"	19.041099
"725564"	498.8028495	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+H+NH4"	19.041099
"1483761"	172.6146495	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H+NH4"	19.041099
"396239"	675.365618	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+Na"	22.989218
"756872"	1001.553818	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+Na"	22.989218
"1607156"	349.177418	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Na"	22.989218
"316100"	338.186447	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+H+Na"	23.996494
"708886"	501.280547	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+H+Na"	23.996494
"1464531"	175.092347	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H+Na"	23.996494
"1056681"	117.06399	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2H+Na"	25.00377
"1261642"	359.221686	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+CH3OH+H"	33.033486
"381312"	691.339558	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+K"	38.963158
"742309"	1017.527758	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+K"	38.963158
"1544364"	365.151358	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+K"	38.963158
"307008"	346.173417	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+H+K"	39.970434
"701621"	509.267517	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+H+K"	39.970434
"1458725"	183.079317	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H+K"	39.970434
"245139"	694.410226	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+ACN+H"	42.033826
"1217850"	368.222026	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+ACN+H"	42.033826
"1202823"	184.614651	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+ACN+2H"	43.041102
"198972"	697.34756	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+2Na-H"	44.97116
"638533"	1023.53576	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+2Na-H"	44.97116
"1142040"	371.15936	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2Na-H"	44.97116
"186791"	349.177418	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+2Na"	45.978436
"624164"	512.271518	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+2Na"	45.978436
"1126210"	186.083318	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2Na"	45.978436
"1408277"	124.391304	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H+2Na"	46.985712
"1439300"	373.200946	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H+HCOOH"	47.012746
"228264"	354.21044	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+3H2O+2H"	56.04448
"1516325"	387.25299	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+IsoProp+H"	61.06479
"416012"	357.164388	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+Na+K"	61.952376
"778104"	520.258488	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+Na+K"	61.952376
"1672251"	194.070288	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Na+K"	61.952376
"258772"	716.392168	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+ACN+Na"	64.015768
"1230388"	390.203968	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+ACN+Na"	64.015768
"1719272"	390.227493	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+NH4+HCOOH"	64.039293
"1192289"	131.718618	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+3Na"	68.967654
"1664734"	395.182888	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Na+HCOOH"	68.994688
"171109"	729.29544	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+2K-H"	76.91904
"611762"	1055.48364	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+2K-H"	76.91904
"1098340"	403.10724	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2K-H"	76.91904
"146651"	365.151358	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"2M+2K"	77.926316
"584027"	528.245458	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"3M+2K"	77.926316
"1079478"	202.057258	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2K"	77.926316
"1110500"	405.121792	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2K+H"	78.933592
"1340327"	405.209407	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+DMSO+H"	79.021207
"1009950"	409.248576	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2ACN+H"	83.060376
"1526981"	410.242208	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+IsoProp+Na+H"	84.054008
"992336"	205.127926	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+2ACN+2H"	84.067652
"1588297"	411.156828	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+K+HCOOH"	84.968628
"1414684"	441.188338	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+H+CF3COOH"	115.000138
"1159192"	225.641201	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+3ACN+2H"	125.094202
"1699995"	458.214885	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+NH4+CF3COOH"	132.026685
"1637833"	463.17028	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+Na+CF3COOH"	136.98208
"1575669"	479.14422	"C14757"	"Moxestrol;11beta-Methoxy-17alpha-ethinylestradiol;17alpha-Ethinyl-11beta-methoxy-135(10)-estratrien-317-diol"	"C21H26O3"	"326.1882"	"M+K+CF3COOH"	152.95602
"812599"	525.4182	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M"	0
"985040"	506.39981	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-H2O-H"	-19.01839
"64172"	349.271524	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M-3H"	-3.021828
"504096"	524.410924	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M-3H"	-3.021828
"880678"	174.132124	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-3H"	-3.021828
"1079"	524.410924	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M-2H"	-2.014552
"443313"	787.120024	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M-2H"	-2.014552
"823304"	261.701824	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-2H"	-2.014552
"83292"	1049.829124	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M-H"	-1.007276
"522853"	1575.247324	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M-H"	-1.007276
"900654"	524.410924	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-H"	-1.007276
"52843"	1066.855671	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M-2H+NH4"	16.019271
"493497"	1592.273871	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M-2H+NH4"	16.019271
"871295"	541.437471	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-2H+NH4"	16.019271
"38104"	1071.811066	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M-2H+Na"	20.974666
"475490"	1597.229266	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M-2H+Na"	20.974666
"853291"	546.392866	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-2H+Na"	20.974666
"1621729"	546.392866	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Na-2H"	20.974666
"99353"	542.399263	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M-H+Cl"	33.962126
"540005"	805.108363	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M-H+Cl"	33.962126
"935709"	279.690163	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-H+Cl"	33.962126
"273172"	1085.805802	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+Cl"	34.969402
"672156"	1611.224002	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+Cl"	34.969402
"1276904"	560.387602	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Cl"	34.969402
"23834"	1087.785006	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M-2H+K"	36.948606
"464489"	1613.203206	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M-2H+K"	36.948606
"845570"	562.366806	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-2H+K"	36.948606
"1559219"	562.366806	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+K-2H"	36.948606
"950381"	570.416394	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-H+HCOOH"	44.998194
"366407"	1095.834601	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+HCOOH-H"	44.998201
"349200"	1109.850251	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+Hac-H"	59.013851
"1494510"	584.432051	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Hac-H"	59.013851
"960476"	592.398351	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-H+NaCOOH"	66.980151
"114124"	560.387602	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+2Cl"	69.938804
"553320"	823.096702	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+2Cl"	69.938804
"1025035"	297.678502	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2Cl"	69.938804
"1243520"	604.337085	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Br"	78.918885
"1304387"	606.393072	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Cl+HCOOH"	80.974872
"1323465"	628.375029	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Cl+NaCOOH"	102.956829
"914884"	638.403786	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M-H+CF3COOH"	112.985586
"1290133"	674.380464	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Cl+CF3COOH"	148.962264
"1368294"	490.405524	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H-2H2O"	-35.012676
"1385791"	508.4155	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H-H2O"	-17.0027
"290956"	1051.843676	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+H"	1.007276
"684107"	1577.261876	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+H"	1.007276
"1362279"	526.425476	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H"	1.007276
"127632"	526.425476	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+2H"	2.014552
"567193"	789.134576	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+2H"	2.014552
"1039152"	263.716376	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2H"	2.014552
"206685"	351.286076	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+3H"	3.021828
"647343"	526.425476	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+3H"	3.021828
"1168747"	176.146676	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+3H"	3.021828
"434216"	1068.870223	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+NH4"	18.033823
"795210"	1594.288423	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+NH4"	18.033823
"1682791"	543.452023	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+NH4"	18.033823
"332161"	534.9387495	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+H+NH4"	19.041099
"724701"	797.6478495	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+H+NH4"	19.041099
"1482778"	272.2296495	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H+NH4"	19.041099
"396713"	1073.825618	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+Na"	22.989218
"755524"	1599.243818	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+Na"	22.989218
"1606173"	548.407418	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Na"	22.989218
"318395"	537.416447	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+H+Na"	23.996494
"710818"	800.125547	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+H+Na"	23.996494
"1464641"	274.707347	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H+Na"	23.996494
"1057884"	183.47399	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2H+Na"	25.00377
"1259931"	558.451686	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+CH3OH+H"	33.033486
"381423"	1089.799558	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+K"	38.963158
"743874"	1615.217758	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+K"	38.963158
"1543015"	564.381358	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+K"	38.963158
"304932"	545.403417	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+H+K"	39.970434
"704283"	808.112517	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+H+K"	39.970434
"1458833"	282.694317	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H+K"	39.970434
"244155"	1092.870226	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+ACN+H"	42.033826
"1216866"	567.452026	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+ACN+H"	42.033826
"1200747"	284.229651	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+ACN+2H"	43.041102
"197991"	1095.80756	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+2Na-H"	44.97116
"636456"	1621.22576	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+2Na-H"	44.97116
"1142148"	570.38936	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2Na-H"	44.97116
"181065"	548.407418	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+2Na"	45.978436
"625366"	811.116518	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+2Na"	45.978436
"1123038"	285.698318	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2Na"	45.978436
"1411301"	190.801304	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H+2Na"	46.985712
"1439408"	572.430946	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H+HCOOH"	47.012746
"230925"	553.44044	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+3H2O+2H"	56.04448
"1519716"	586.48299	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+IsoProp+H"	61.06479
"420863"	556.394388	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+Na+K"	61.952376
"774935"	819.103488	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+Na+K"	61.952376
"1674548"	293.685288	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Na+K"	61.952376
"257789"	1114.852168	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+ACN+Na"	64.015768
"1230498"	589.433968	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+ACN+Na"	64.015768
"1717196"	589.457493	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+NH4+HCOOH"	64.039293
"1189119"	198.128618	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+3Na"	68.967654
"1665051"	594.412888	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Na+HCOOH"	68.994688
"172683"	1127.75544	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+2K-H"	76.91904
"612238"	1653.17364	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+2K-H"	76.91904
"1098207"	602.33724	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2K-H"	76.91904
"150041"	564.381358	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"2M+2K"	77.926316
"587417"	827.090458	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"3M+2K"	77.926316
"1075210"	301.672258	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2K"	77.926316
"1110609"	604.351792	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2K+H"	78.933592
"1339343"	604.439407	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+DMSO+H"	79.021207
"1010060"	608.478576	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2ACN+H"	83.060376
"1525998"	609.472208	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+IsoProp+Na+H"	84.054008
"996820"	304.742926	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+2ACN+2H"	84.067652
"1589500"	610.386828	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+K+HCOOH"	84.968628
"1415038"	640.418338	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+H+CF3COOH"	115.000138
"1160395"	325.256201	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+3ACN+2H"	125.094202
"1700105"	657.444885	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+NH4+CF3COOH"	132.026685
"1639036"	662.40028	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+Na+CF3COOH"	136.98208
"1572499"	678.37422	"C14758"	"ICI 164384;N-n-Butyl-N-methyl-11-317beta-dihydroxyestra-135(10)-trien-7alpha-ylundecanamide"	"C34H55NO3"	"525.4182"	"M+K+CF3COOH"	152.95602
"812709"	200.095	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M"	0
"987337"	181.07661	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-H2O-H"	-19.01839
"63187"	132.389390666667	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M-3H"	-3.021828
"506393"	199.087724	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M-3H"	-3.021828
"880059"	65.6910573333333	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-3H"	-3.021828
"3864"	199.087724	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M-2H"	-2.014552
"442331"	299.135224	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M-2H"	-2.014552
"823414"	99.040224	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-2H"	-2.014552
"84496"	399.182724	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M-H"	-1.007276
"525150"	599.277724	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M-H"	-1.007276
"900764"	199.087724	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-H"	-1.007276
"52954"	416.209271	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M-2H+NH4"	16.019271
"492516"	616.304271	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M-2H+NH4"	16.019271
"870313"	216.114271	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-2H+NH4"	16.019271
"35298"	421.164666	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M-2H+Na"	20.974666
"476693"	621.259666	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M-2H+Na"	20.974666
"851214"	221.069666	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-2H+Na"	20.974666
"1621838"	221.069666	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Na-2H"	20.974666
"102743"	217.076063	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M-H+Cl"	33.962126
"540115"	317.123563	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M-H+Cl"	33.962126
"935819"	117.028563	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-H+Cl"	33.962126
"273282"	435.159402	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+Cl"	34.969402
"671902"	635.254402	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+Cl"	34.969402
"1277014"	235.064402	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Cl"	34.969402
"23944"	437.138606	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M-2H+K"	36.948606
"457066"	637.233606	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M-2H+K"	36.948606
"839120"	237.043606	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-2H+K"	36.948606
"1555960"	237.043606	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+K-2H"	36.948606
"947210"	245.093194	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-H+HCOOH"	44.998194
"365423"	445.188201	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+HCOOH-H"	44.998201
"346759"	459.203851	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+Hac-H"	59.013851
"1494135"	259.108851	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Hac-H"	59.013851
"961316"	267.075151	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-H+NaCOOH"	66.980151
"113140"	235.064402	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+2Cl"	69.938804
"556346"	335.111902	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+2Cl"	69.938804
"1026238"	135.016902	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2Cl"	69.938804
"1241808"	279.013885	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Br"	78.918885
"1304497"	281.069872	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Cl+HCOOH"	80.974872
"1322117"	303.051829	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Cl+NaCOOH"	102.956829
"916088"	313.080586	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M-H+CF3COOH"	112.985586
"1289878"	349.057264	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Cl+CF3COOH"	148.962264
"1371321"	165.082324	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H-2H2O"	-35.012676
"1386994"	183.0923	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H-H2O"	-17.0027
"287785"	401.197276	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+H"	1.007276
"684217"	601.292276	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+H"	1.007276
"1362025"	201.102276	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H"	1.007276
"128714"	201.102276	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+2H"	2.014552
"566570"	301.149776	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+2H"	2.014552
"1039262"	101.054776	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2H"	2.014552
"208984"	134.403942666667	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+3H"	3.021828
"645261"	201.102276	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+3H"	3.021828
"1164846"	67.7056093333333	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+3H"	3.021828
"425573"	418.223823	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+NH4"	18.033823
"786690"	618.318823	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+NH4"	18.033823
"1687266"	218.128823	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+NH4"	18.033823
"331178"	209.6155495	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+H+NH4"	19.041099
"722989"	309.6630495	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+H+NH4"	19.041099
"1479603"	109.5680495	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H+NH4"	19.041099
"396823"	423.179218	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+Na"	22.989218
"757092"	623.274218	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+Na"	22.989218
"1606282"	223.084218	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Na"	22.989218
"318505"	212.093247	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+H+Na"	23.996494
"709831"	312.140747	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+H+Na"	23.996494
"1466934"	112.045747	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H+Na"	23.996494
"1054836"	75.0329233333333	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2H+Na"	25.00377
"1262955"	233.128486	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+CH3OH+H"	33.033486
"385902"	439.153158	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+K"	38.963158
"742525"	639.248158	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+K"	38.963158
"1552233"	239.058158	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+K"	38.963158
"306130"	220.080217	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+H+K"	39.970434
"703299"	320.127717	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+H+K"	39.970434
"1458214"	120.032717	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H+K"	39.970434
"243173"	442.223826	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+ACN+H"	42.033826
"1214789"	242.128826	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+ACN+H"	42.033826
"1199765"	121.568051	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+ACN+2H"	43.041102
"197008"	445.16116	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+2Na-H"	44.97116
"635474"	645.25616	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+2Na-H"	44.97116
"1138615"	245.06616	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2Na-H"	44.97116
"178990"	223.084218	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+2Na"	45.978436
"619643"	323.131718	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+2Na"	45.978436
"1120962"	123.036718	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2Na"	45.978436
"1403392"	82.3602373333333	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H+2Na"	46.985712
"1437696"	247.107746	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H+HCOOH"	47.012746
"227390"	228.11724	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+3H2O+2H"	56.04448
"1514358"	261.15979	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+IsoProp+H"	61.06479
"414045"	231.071188	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+Na+K"	61.952376
"772856"	331.118688	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+Na+K"	61.952376
"1676846"	131.023688	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Na+K"	61.952376
"257899"	464.205768	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+ACN+Na"	64.015768
"1230608"	264.110768	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+ACN+Na"	64.015768
"1719493"	264.134293	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+NH4+HCOOH"	64.039293
"1190322"	89.6875513333333	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+3Na"	68.967654
"1665283"	269.089688	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Na+HCOOH"	68.994688
"170357"	477.10904	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+2K-H"	76.91904
"606634"	677.20404	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+2K-H"	76.91904
"1089689"	277.01404	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2K-H"	76.91904
"146870"	239.058158	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"2M+2K"	77.926316
"588620"	339.105658	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"3M+2K"	77.926316
"1075320"	139.010658	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2K"	77.926316
"1113999"	279.028592	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2K+H"	78.933592
"1337263"	279.116207	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+DMSO+H"	79.021207
"1007980"	283.155376	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2ACN+H"	83.060376
"1527201"	284.149008	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+IsoProp+Na+H"	84.054008
"995836"	142.081326	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+2ACN+2H"	84.067652
"1589246"	285.063628	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+K+HCOOH"	84.968628
"1415027"	315.095138	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+H+CF3COOH"	115.000138
"1153945"	162.594601	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+3ACN+2H"	125.094202
"1700215"	332.121685	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+NH4+CF3COOH"	132.026685
"1639146"	337.07708	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+Na+CF3COOH"	136.98208
"1572609"	353.05102	"C14759"	"44-Diaminodiphenyl ether;4-Aminophenyl ether;44-Oxybisbenzenamine;44-Oxydianiline"	"C12H12N2O"	"200.095"	"M+K+CF3COOH"	152.95602
"812819"	603.9269	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M"	0
"983073"	584.90851	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-H2O-H"	-19.01839
"63664"	401.610657333333	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M-3H"	-3.021828
"507596"	602.919624	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M-3H"	-3.021828
"882115"	200.301690666667	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-3H"	-3.021828
"3974"	602.919624	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H"	-2.014552
"445720"	904.883074	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H"	-2.014552
"824617"	300.956174	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-2H"	-2.014552
"84606"	1206.846524	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M-H"	-1.007276
"525260"	1810.773424	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M-H"	-1.007276
"900874"	602.919624	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-H"	-1.007276
"51242"	1223.873071	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H+NH4"	16.019271
"492625"	1827.799971	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H+NH4"	16.019271
"869332"	619.946171	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-2H+NH4"	16.019271
"38326"	1228.828466	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H+Na"	20.974666
"478990"	1832.755366	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H+Na"	20.974666
"853511"	624.901566	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-2H+Na"	20.974666
"1621950"	624.901566	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Na-2H"	20.974666
"94386"	620.907963	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M-H+Cl"	33.962126
"538039"	922.871413	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M-H+Cl"	33.962126
"934836"	318.944513	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-H+Cl"	33.962126
"271204"	1242.823202	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+Cl"	34.969402
"673107"	1846.750102	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+Cl"	34.969402
"1280405"	638.896302	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl"	34.969402
"20774"	1244.802406	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H+K"	36.948606
"458149"	1848.729306	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H+K"	36.948606
"842511"	640.875506	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-2H+K"	36.948606
"1556521"	640.875506	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+K-2H"	36.948606
"950601"	648.925094	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-H+HCOOH"	44.998194
"372095"	1252.852001	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+HCOOH-H"	44.998201
"346869"	1266.867651	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+Hac-H"	59.013851
"1495339"	662.940751	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Hac-H"	59.013851
"961421"	670.907051	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-H+NaCOOH"	66.980151
"115074"	638.896302	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+2Cl"	69.938804
"557551"	940.859752	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+2Cl"	69.938804
"1027809"	336.932852	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2Cl"	69.938804
"1242283"	682.845785	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Br"	78.918885
"1306553"	684.901772	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl+HCOOH"	80.974872
"1321498"	706.883729	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl+NaCOOH"	102.956829
"918024"	716.912486	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M-H+CF3COOH"	112.985586
"1292177"	752.889164	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl+CF3COOH"	148.962264
"1370705"	568.914224	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H-2H2O"	-35.012676
"1386014"	586.9242	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H-H2O"	-17.0027
"286801"	1208.861076	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+H"	1.007276
"683599"	1812.787976	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+H"	1.007276
"1357760"	604.934176	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H"	1.007276
"127730"	604.934176	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+2H"	2.014552
"568018"	906.897626	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+2H"	2.014552
"1039008"	302.970726	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2H"	2.014552
"212374"	403.625209333333	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+3H"	3.021828
"648654"	604.934176	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+3H"	3.021828
"1170060"	202.316242666667	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+3H"	3.021828
"425074"	1225.887623	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+NH4"	18.033823
"786679"	1829.814523	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+NH4"	18.033823
"1688470"	621.960723	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+NH4"	18.033823
"335656"	613.4474495	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+H+NH4"	19.041099
"725166"	915.4108995	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+H+NH4"	19.041099
"1480808"	311.4839995	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H+NH4"	19.041099
"397300"	1230.843018	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+Na"	22.989218
"759388"	1834.769918	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+Na"	22.989218
"1605301"	626.916118	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Na"	22.989218
"317524"	615.925147	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+H+Na"	23.996494
"709942"	917.888597	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+H+Na"	23.996494
"1465953"	313.961697	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H+Na"	23.996494
"1055917"	209.643556666667	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2H+Na"	25.00377
"1261240"	636.960386	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+CH3OH+H"	33.033486
"383828"	1246.816958	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+K"	38.963158
"743729"	1850.743858	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+K"	38.963158
"1547970"	642.890058	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+K"	38.963158
"305147"	623.912117	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+H+K"	39.970434
"704137"	925.875567	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+H+K"	39.970434
"1453583"	321.948667	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H+K"	39.970434
"245469"	1249.887626	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+ACN+H"	42.033826
"1211618"	645.960726	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+ACN+H"	42.033826
"1199876"	323.484001	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+ACN+2H"	43.041102
"193839"	1252.82496	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+2Na-H"	44.97116
"634493"	1856.75186	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+2Na-H"	44.97116
"1137998"	648.89806	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2Na-H"	44.97116
"181289"	626.916118	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+2Na"	45.978436
"619754"	928.879568	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+2Na"	45.978436
"1119980"	324.952668	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2Na"	45.978436
"1400706"	216.970870666667	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H+2Na"	46.985712
"1435619"	650.939646	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H+HCOOH"	47.012746
"225313"	631.94914	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+3H2O+2H"	56.04448
"1516657"	664.99169	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+IsoProp+H"	61.06479
"413062"	634.903088	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+Na+K"	61.952376
"783543"	936.866538	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+Na+K"	61.952376
"1678415"	332.939638	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Na+K"	61.952376
"259103"	1271.869568	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+ACN+Na"	64.015768
"1229625"	667.942668	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+ACN+Na"	64.015768
"1723977"	667.966193	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+NH4+HCOOH"	64.039293
"1189703"	224.298184666667	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+3Na"	68.967654
"1663970"	672.921588	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Na+HCOOH"	68.994688
"171439"	1284.77284	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+2K-H"	76.91904
"605652"	1888.69974	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+2K-H"	76.91904
"1088342"	680.84594	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2K-H"	76.91904
"145886"	642.890058	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"2M+2K"	77.926316
"588730"	944.853508	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"3M+2K"	77.926316
"1075430"	340.926608	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2K"	77.926316
"1114110"	682.860492	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2K+H"	78.933592
"1337009"	682.948107	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+DMSO+H"	79.021207
"1006998"	686.987276	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2ACN+H"	83.060376
"1527311"	687.980908	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+IsoProp+Na+H"	84.054008
"993758"	343.997276	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+2ACN+2H"	84.067652
"1594821"	688.895528	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+K+HCOOH"	84.968628
"1419388"	718.927038	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+H+CF3COOH"	115.000138
"1148950"	364.510551	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+3ACN+2H"	125.094202
"1698137"	735.953585	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+NH4+CF3COOH"	132.026685
"1637069"	740.90898	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+Na+CF3COOH"	136.98208
"1572719"	756.88292	"C14760"	"Amaranth;Food red No2"	"C20H11N2O10S33Na"	"603.9269"	"M+K+CF3COOH"	152.95602
"812929"	206.1096	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M"	0
"986099"	187.09121	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-H2O-H"	-19.01839
"63774"	136.399124	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M-3H"	-3.021828
"506613"	205.102324	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M-3H"	-3.021828
"882226"	67.695924	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-3H"	-3.021828
"802"	205.102324	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M-2H"	-2.014552
"441942"	308.157124	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M-2H"	-2.014552
"822541"	102.047524	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-2H"	-2.014552
"83626"	411.211924	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M-H"	-1.007276
"520998"	617.321524	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M-H"	-1.007276
"897708"	205.102324	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-H"	-1.007276
"48799"	428.238471	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M-2H+NH4"	16.019271
"488727"	634.348071	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M-2H+NH4"	16.019271
"866527"	222.128871	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-2H+NH4"	16.019271
"32971"	433.193866	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M-2H+Na"	20.974666
"475820"	639.303466	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M-2H+Na"	20.974666
"854715"	227.084266	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-2H+Na"	20.974666
"1627527"	227.084266	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Na-2H"	20.974666
"95309"	223.090663	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M-H+Cl"	33.962126
"535963"	326.145463	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M-H+Cl"	33.962126
"934946"	120.035863	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-H+Cl"	33.962126
"271314"	447.188602	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+Cl"	34.969402
"669937"	653.298202	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+Cl"	34.969402
"1280515"	241.079002	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Cl"	34.969402
"24164"	449.167806	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M-2H+K"	36.948606
"456677"	655.277406	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M-2H+K"	36.948606
"844808"	243.058206	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-2H+K"	36.948606
"1558453"	243.058206	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+K-2H"	36.948606
"953991"	251.107794	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-H+HCOOH"	44.998194
"372205"	457.217401	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+HCOOH-H"	44.998201
"347342"	471.233051	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+Hac-H"	59.013851
"1494107"	265.123451	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Hac-H"	59.013851
"960801"	273.089751	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-H+NaCOOH"	66.980151
"114820"	241.079002	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+2Cl"	69.938804
"557661"	344.133802	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+2Cl"	69.938804
"1028649"	138.024202	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2Cl"	69.938804
"1242029"	285.028485	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Br"	78.918885
"1305328"	287.084472	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Cl+HCOOH"	80.974872
"1322338"	309.066429	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Cl+NaCOOH"	102.956829
"922508"	319.095186	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M-H+CF3COOH"	112.985586
"1294841"	355.071864	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Cl+CF3COOH"	148.962264
"1368628"	171.096924	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H-2H2O"	-35.012676
"1386126"	189.1069	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H-H2O"	-17.0027
"286182"	413.226476	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+H"	1.007276
"684437"	619.336076	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+H"	1.007276
"1354590"	207.116876	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H"	1.007276
"127840"	207.116876	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+2H"	2.014552
"567155"	310.171676	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+2H"	2.014552
"1041305"	104.062076	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2H"	2.014552
"209204"	138.413676	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+3H"	3.021828
"647671"	207.116876	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+3H"	3.021828
"1170170"	69.710476	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+3H"	3.021828
"425183"	430.253023	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+NH4"	18.033823
"786909"	636.362623	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+NH4"	18.033823
"1686395"	224.143423	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+NH4"	18.033823
"335766"	215.6301495	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+H+NH4"	19.041099
"724183"	318.6849495	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+H+NH4"	19.041099
"1481281"	112.5753495	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H+NH4"	19.041099
"398502"	435.208418	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+Na"	22.989218
"759498"	641.318018	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+Na"	22.989218
"1604684"	229.098818	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Na"	22.989218
"318728"	218.107847	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+H+Na"	23.996494
"711146"	321.162647	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+H+Na"	23.996494
"1468250"	115.053047	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H+Na"	23.996494
"1058213"	77.03779	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2H+Na"	25.00377
"1262080"	239.143086	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+CH3OH+H"	33.033486
"385031"	451.182358	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+K"	38.963158
"743839"	657.291958	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+K"	38.963158
"1549174"	245.072758	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+K"	38.963158
"310361"	226.094817	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+H+K"	39.970434
"695498"	329.149617	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+H+K"	39.970434
"1455880"	123.040017	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H+K"	39.970434
"246673"	454.253026	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+ACN+H"	42.033826
"1218288"	248.143426	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+ACN+H"	42.033826
"1195613"	124.575351	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+ACN+2H"	43.041102
"191762"	457.19036	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+2Na-H"	44.97116
"632416"	663.29996	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+2Na-H"	44.97116
"1137014"	251.08076	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2Na-H"	44.97116
"179212"	229.098818	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+2Na"	45.978436
"616584"	332.153618	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+2Na"	45.978436
"1116685"	126.044018	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2Na"	45.978436
"1399480"	84.365104	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H+2Na"	46.985712
"1431356"	253.122346	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H+HCOOH"	47.012746
"223236"	234.13184	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+3H2O+2H"	56.04448
"1512395"	267.17439	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+IsoProp+H"	61.06479
"412079"	237.085788	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+Na+K"	61.952376
"773074"	340.140588	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+Na+K"	61.952376
"1668315"	134.030988	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Na+K"	61.952376
"260306"	476.234968	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+ACN+Na"	64.015768
"1229733"	270.125368	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+ACN+Na"	64.015768
"1722993"	270.148893	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+NH4+HCOOH"	64.039293
"1190176"	91.692418	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+3Na"	68.967654
"1664688"	275.104288	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Na+HCOOH"	68.994688
"167294"	489.13824	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+2K-H"	76.91904
"603575"	695.24784	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+2K-H"	76.91904
"1091365"	283.02864	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2K-H"	76.91904
"144903"	245.072758	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"2M+2K"	77.926316
"588840"	348.127558	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"3M+2K"	77.926316
"1075540"	142.017958	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2K"	77.926316
"1102188"	285.043192	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2K+H"	78.933592
"1338935"	285.130807	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+DMSO+H"	79.021207
"1008202"	289.169976	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2ACN+H"	83.060376
"1525961"	290.163608	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+IsoProp+Na+H"	84.054008
"992774"	145.088626	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+2ACN+2H"	84.067652
"1592745"	291.078228	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+K+HCOOH"	84.968628
"1419498"	321.109738	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+H+CF3COOH"	115.000138
"1147603"	165.601901	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+3ACN+2H"	125.094202
"1697391"	338.136285	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+NH4+CF3COOH"	132.026685
"1638273"	343.09168	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+Na+CF3COOH"	136.98208
"1572829"	359.06562	"C14761"	"transtrans-14-Diphenyl-13-butadiene"	"C16H14"	"206.1096"	"M+K+CF3COOH"	152.95602
"809760"	296.2351	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M"	0
"988639"	277.21671	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-H2O-H"	-19.01839
"72632"	196.482790666667	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M-3H"	-3.021828
"510004"	295.227824	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M-3H"	-3.021828
"882338"	97.7377573333333	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-3H"	-3.021828
"3101"	295.227824	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H"	-2.014552
"445944"	443.345374	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H"	-2.014552
"823746"	147.110274	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H"	-2.014552
"84831"	591.462924	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M-H"	-1.007276
"520379"	887.698024	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M-H"	-1.007276
"897818"	295.227824	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-H"	-1.007276
"49274"	608.489471	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H+NH4"	16.019271
"489201"	904.724571	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H+NH4"	16.019271
"867000"	312.254371	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H+NH4"	16.019271
"33806"	613.444866	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H+Na"	20.974666
"477022"	909.679966	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H+Na"	20.974666
"857012"	317.209766	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H+Na"	20.974666
"1628729"	317.209766	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na-2H"	20.974666
"98699"	313.216163	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M-H+Cl"	33.962126
"537166"	461.333713	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M-H+Cl"	33.962126
"936149"	165.098613	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+Cl"	33.962126
"270331"	627.439602	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Cl"	34.969402
"671504"	923.674702	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+Cl"	34.969402
"1281358"	331.204502	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl"	34.969402
"24277"	629.418806	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H+K"	36.948606
"459463"	925.653906	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H+K"	36.948606
"837264"	333.183706	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H+K"	36.948606
"1559656"	333.183706	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+K-2H"	36.948606
"946081"	341.233294	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+HCOOH"	44.998194
"364660"	637.468401	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+HCOOH-H"	44.998201
"348912"	651.484051	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Hac-H"	59.013851
"1494217"	355.248951	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Hac-H"	59.013851
"961639"	363.215251	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+NaCOOH"	66.980151
"120397"	331.204502	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2Cl"	69.938804
"551936"	479.322052	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2Cl"	69.938804
"1028760"	183.086952	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2Cl"	69.938804
"1250523"	375.153985	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Br"	78.918885
"1309693"	377.209972	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl+HCOOH"	80.974872
"1325365"	399.191929	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl+NaCOOH"	102.956829
"916061"	409.220686	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+CF3COOH"	112.985586
"1290942"	445.197364	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl+CF3COOH"	148.962264
"1372020"	261.222424	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H-2H2O"	-35.012676
"1386600"	279.2324	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H-H2O"	-17.0027
"285928"	593.477476	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H"	1.007276
"682725"	889.712576	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H"	1.007276
"1356887"	297.242376	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H"	1.007276
"130868"	297.242376	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2H"	2.014552
"572613"	445.359926	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2H"	2.014552
"1048703"	149.124826	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2H"	2.014552
"209314"	198.497342666667	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+3H"	3.021828
"648875"	297.242376	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+3H"	3.021828
"1169187"	99.7523093333333	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+3H"	3.021828
"426998"	610.504023	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+NH4"	18.033823
"790176"	906.739123	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+NH4"	18.033823
"1684321"	314.268923	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+NH4"	18.033823
"333690"	305.7556495	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H+NH4"	19.041099
"727207"	453.8731995	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H+NH4"	19.041099
"1481027"	157.6380995	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+NH4"	19.041099
"398614"	615.459418	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Na"	22.989218
"759607"	911.694518	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+Na"	22.989218
"1605523"	319.224318	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na"	22.989218
"319929"	308.233347	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H+Na"	23.996494
"710163"	456.350897	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H+Na"	23.996494
"1465079"	160.115797	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+Na"	23.996494
"1057232"	107.079623333333	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2H+Na"	25.00377
"1260003"	329.268586	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+CH3OH+H"	33.033486
"380766"	631.433358	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+K"	38.963158
"743952"	927.668458	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+K"	38.963158
"1544914"	335.198258	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+K"	38.963158
"308653"	316.220317	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H+K"	39.970434
"701076"	464.337867	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H+K"	39.970434
"1451616"	168.102767	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+K"	39.970434
"246783"	634.504026	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+H"	42.033826
"1218398"	338.268926	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+ACN+H"	42.033826
"1194993"	169.638101	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+ACN+2H"	43.041102
"192966"	637.44136	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2Na-H"	44.97116
"632524"	933.67646	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2Na-H"	44.97116
"1138216"	341.20626	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2Na-H"	44.97116
"177136"	319.224318	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2Na"	45.978436
"616694"	467.341868	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2Na"	45.978436
"1116310"	171.106768	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2Na"	45.978436
"1399470"	114.406937333333	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+2Na"	46.985712
"1432560"	343.247846	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+HCOOH"	47.012746
"225531"	324.25734	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+3H2O+2H"	56.04448
"1512503"	357.29989	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+H"	61.06479
"413285"	327.211288	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Na+K"	61.952376
"778655"	475.328838	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+Na+K"	61.952376
"1678267"	179.093738	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na+K"	61.952376
"263694"	656.485968	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+Na"	64.015768
"1228750"	360.250868	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+ACN+Na"	64.015768
"1717639"	360.274393	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+NH4+HCOOH"	64.039293
"1190651"	121.734251333333	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+3Na"	68.967654
"1660544"	365.229788	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na+HCOOH"	68.994688
"167406"	669.38924	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2K-H"	76.91904
"603687"	965.62434	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2K-H"	76.91904
"1089289"	373.15414	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2K-H"	76.91904
"143553"	335.198258	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2K"	77.926316
"590043"	483.315808	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2K"	77.926316
"1078931"	187.080708	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2K"	77.926316
"1102662"	375.168692	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2K+H"	78.933592
"1338682"	375.256307	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+DMSO+H"	79.021207
"1010500"	379.295476	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+H"	83.060376
"1529719"	380.289108	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+Na+H"	84.054008
"992885"	190.151376	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+2H"	84.067652
"1588482"	381.203728	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+K+HCOOH"	84.968628
"1419610"	411.235238	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+CF3COOH"	115.000138
"1149899"	210.664651	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+3ACN+2H"	125.094202
"1697628"	428.261785	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+NH4+CF3COOH"	132.026685
"1638382"	433.21718	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na+CF3COOH"	136.98208
"1579500"	449.19112	"C14762"	"13(S)-HODE;(13S)-Hydroxyoctadecadienoic acid;(9Z11E)-(13S)-13-Hydroxyoctadeca-911-dienoic acid"	"C18H32O3"	"296.2351"	"M+K+CF3COOH"	152.95602
"816430"	196.0888	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M"	0
"987779"	177.07041	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-H2O-H"	-19.01839
"71649"	129.718590666667	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M-3H"	-3.021828
"506833"	195.081524	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M-3H"	-3.021828
"884634"	64.3556573333333	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-3H"	-3.021828
"3210"	195.081524	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M-2H"	-2.014552
"447147"	293.125924	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M-2H"	-2.014552
"823856"	97.037124	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-2H"	-2.014552
"86034"	391.170324	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M-H"	-1.007276
"523404"	587.259124	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M-H"	-1.007276
"903391"	195.081524	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-H"	-1.007276
"51210"	408.196871	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M-2H+NH4"	16.019271
"489676"	604.285671	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M-2H+NH4"	16.019271
"869661"	212.108071	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-2H+NH4"	16.019271
"35375"	413.152266	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M-2H+Na"	20.974666
"484786"	609.241066	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M-2H+Na"	20.974666
"862590"	217.063466	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-2H+Na"	20.974666
"1628839"	217.063466	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Na-2H"	20.974666
"98809"	213.069863	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M-H+Cl"	33.962126
"538369"	311.114263	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M-H+Cl"	33.962126
"936259"	115.025463	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-H+Cl"	33.962126
"273721"	427.147002	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+Cl"	34.969402
"670519"	623.235802	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+Cl"	34.969402
"1280736"	231.058202	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Cl"	34.969402
"24386"	429.126206	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M-2H+K"	36.948606
"458480"	625.215006	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M-2H+K"	36.948606
"835551"	233.037406	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-2H+K"	36.948606
"1559037"	233.037406	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+K-2H"	36.948606
"945463"	241.086994	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-H+HCOOH"	44.998194
"365864"	437.175801	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+HCOOH-H"	44.998201
"350117"	451.191451	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+Hac-H"	59.013851
"1497490"	255.102651	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Hac-H"	59.013851
"961020"	263.068951	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-H+NaCOOH"	66.980151
"120873"	231.058202	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+2Cl"	69.938804
"558974"	329.102602	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+2Cl"	69.938804
"1028140"	133.013802	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2Cl"	69.938804
"1248449"	275.007685	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Br"	78.918885
"1310531"	277.063672	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Cl+HCOOH"	80.974872
"1328390"	299.045629	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Cl+NaCOOH"	102.956829
"916535"	309.074386	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M-H+CF3COOH"	112.985586
"1292876"	345.051064	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Cl+CF3COOH"	148.962264
"1371402"	161.076124	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H-2H2O"	-35.012676
"1388533"	179.0861	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H-H2O"	-17.0027
"285673"	393.184876	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+H"	1.007276
"682835"	589.273676	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+H"	1.007276
"1356996"	197.096076	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H"	1.007276
"130978"	197.096076	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+2H"	2.014552
"573817"	295.140476	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+2H"	2.014552
"1045895"	99.051676	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2H"	2.014552
"210517"	131.733142666667	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+3H"	3.021828
"647891"	197.096076	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+3H"	3.021828
"1170391"	66.3702093333333	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+3H"	3.021828
"426135"	410.211423	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+NH4"	18.033823
"788100"	606.300223	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+NH4"	18.033823
"1686618"	214.122623	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+NH4"	18.033823
"334896"	205.6093495	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+H+NH4"	19.041099
"728410"	303.6537495	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+H+NH4"	19.041099
"1481137"	107.5649495	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H+NH4"	19.041099
"396538"	415.166818	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+Na"	22.989218
"758624"	611.255618	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+Na"	22.989218
"1605633"	219.078018	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Na"	22.989218
"320040"	208.087047	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+H+Na"	23.996494
"711369"	306.131447	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+H+Na"	23.996494
"1468468"	110.042647	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H+Na"	23.996494
"1060622"	73.6975233333333	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2H+Na"	25.00377
"1261207"	229.122286	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+CH3OH+H"	33.033486
"384156"	431.140758	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+K"	38.963158
"745156"	627.229558	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+K"	38.963158
"1547211"	235.051958	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+K"	38.963158
"308763"	216.074017	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+H+K"	39.970434
"700093"	314.118417	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+H+K"	39.970434
"1451725"	118.029617	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H+K"	39.970434
"248716"	434.211426	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+ACN+H"	42.033826
"1221787"	238.122626	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+ACN+H"	42.033826
"1199114"	119.564951	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+ACN+2H"	43.041102
"191983"	437.14876	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+2Na-H"	44.97116
"631541"	633.23756	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+2Na-H"	44.97116
"1136139"	241.05996	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2Na-H"	44.97116
"179431"	219.078018	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+2Na"	45.978436
"616804"	317.122418	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+2Na"	45.978436
"1117150"	121.033618	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2Na"	45.978436
"1402739"	81.0248373333333	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H+2Na"	46.985712
"1434855"	243.101546	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H+HCOOH"	47.012746
"224549"	224.11104	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+3H2O+2H"	56.04448
"1513705"	257.15359	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+IsoProp+H"	61.06479
"417767"	227.064988	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+Na+K"	61.952376
"779856"	325.109388	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+Na+K"	61.952376
"1676191"	129.020588	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Na+K"	61.952376
"261618"	456.193368	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+ACN+Na"	64.015768
"1228863"	260.104568	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+ACN+Na"	64.015768
"1717749"	260.128093	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+NH4+HCOOH"	64.039293
"1188574"	88.3521513333333	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+3Na"	68.967654
"1658467"	265.083488	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Na+HCOOH"	68.994688
"166422"	469.09664	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+2K-H"	76.91904
"601609"	665.18544	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+2K-H"	76.91904
"1088307"	273.00784	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2K-H"	76.91904
"145123"	235.051958	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"2M+2K"	77.926316
"585781"	333.096358	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"3M+2K"	77.926316
"1072845"	137.007558	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2K"	77.926316
"1107876"	275.022392	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2K+H"	78.933592
"1339884"	275.110007	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+DMSO+H"	79.021207
"1010610"	279.149176	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2ACN+H"	83.060376
"1532016"	280.142808	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+IsoProp+Na+H"	84.054008
"994090"	140.078226	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+2ACN+2H"	84.067652
"1588594"	281.057428	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+K+HCOOH"	84.968628
"1416441"	311.088938	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+H+CF3COOH"	115.000138
"1151103"	160.591501	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+3ACN+2H"	125.094202
"1700655"	328.115485	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+NH4+CF3COOH"	132.026685
"1634480"	333.07088	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+Na+CF3COOH"	136.98208
"1579610"	349.04482	"C14763"	"trans-4-Hydroxystilbene;(E)-4-Stilbenol"	"C14H12O"	"196.0888"	"M+K+CF3COOH"	152.95602
"816733"	162.9762	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M"	0
"986798"	143.95781	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-H2O-H"	-19.01839
"71759"	107.643524	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M-3H"	-3.021828
"506943"	161.968924	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M-3H"	-3.021828
"888023"	53.318124	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-3H"	-3.021828
"3319"	161.968924	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M-2H"	-2.014552
"446162"	243.457024	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M-2H"	-2.014552
"823963"	80.480824	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-2H"	-2.014552
"87237"	324.945124	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M-H"	-1.007276
"525700"	487.921324	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M-H"	-1.007276
"901313"	161.968924	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-H"	-1.007276
"52407"	341.971671	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M-2H+NH4"	16.019271
"490509"	504.947871	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M-2H+NH4"	16.019271
"871958"	178.995471	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-2H+NH4"	16.019271
"40951"	346.927066	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M-2H+Na"	20.974666
"486234"	509.903266	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M-2H+Na"	20.974666
"862703"	183.950866	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-2H+Na"	20.974666
"1628949"	183.950866	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Na-2H"	20.974666
"105479"	179.957263	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M-H+Cl"	33.962126
"548320"	261.445363	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M-H+Cl"	33.962126
"935272"	98.469163	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-H+Cl"	33.962126
"273831"	360.921802	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+Cl"	34.969402
"670629"	523.898002	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+Cl"	34.969402
"1279752"	197.945602	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Cl"	34.969402
"21216"	362.901006	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M-2H+K"	36.948606
"457128"	525.877206	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M-2H+K"	36.948606
"835657"	199.924806	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-2H+K"	36.948606
"1559512"	199.924806	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+K-2H"	36.948606
"949948"	207.974394	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-H+HCOOH"	44.998194
"367433"	370.950601	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+HCOOH-H"	44.998201
"350227"	384.966251	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+Hac-H"	59.013851
"1498691"	221.990051	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Hac-H"	59.013851
"962223"	229.956351	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-H+NaCOOH"	66.980151
"120983"	197.945602	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+2Cl"	69.938804
"557991"	279.433702	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+2Cl"	69.938804
"1030072"	116.457502	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2Cl"	69.938804
"1248559"	241.895085	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Br"	78.918885
"1309913"	243.951072	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Cl+HCOOH"	80.974872
"1325584"	265.933029	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Cl+NaCOOH"	102.956829
"917009"	275.961786	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M-H+CF3COOH"	112.985586
"1292986"	311.938464	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Cl+CF3COOH"	148.962264
"1372605"	127.963524	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H-2H2O"	-35.012676
"1390830"	145.9735	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H-H2O"	-17.0027
"286511"	326.959676	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+H"	1.007276
"686225"	489.935876	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+H"	1.007276
"1358199"	163.983476	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H"	1.007276
"131088"	163.983476	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+2H"	2.014552
"573927"	245.471576	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+2H"	2.014552
"1051111"	82.495376	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2H"	2.014552
"213545"	109.658076	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+3H"	3.021828
"653470"	163.983476	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+3H"	3.021828
"1173781"	55.332676	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+3H"	3.021828
"427217"	343.986223	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+NH4"	18.033823
"788211"	506.962423	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+NH4"	18.033823
"1686727"	181.010023	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+NH4"	18.033823
"335005"	172.4967495	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+H+NH4"	19.041099
"728520"	253.9848495	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+H+NH4"	19.041099
"1483067"	91.0086495	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H+NH4"	19.041099
"396647"	348.941618	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+Na"	22.989218
"757642"	511.917818	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+Na"	22.989218
"1605743"	185.965418	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Na"	22.989218
"315414"	174.974447	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+H+Na"	23.996494
"712573"	256.462547	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+H+Na"	23.996494
"1466392"	93.486347	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H+Na"	23.996494
"1059640"	62.65999	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2H+Na"	25.00377
"1260223"	196.009686	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+CH3OH+H"	33.033486
"382082"	364.915558	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+K"	38.963158
"745265"	527.891758	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+K"	38.963158
"1546229"	201.939358	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+K"	38.963158
"308873"	182.961417	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+H+K"	39.970434
"696922"	264.449517	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+H+K"	39.970434
"1452929"	101.473317	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H+K"	39.970434
"249797"	367.986226	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+ACN+H"	42.033826
"1219712"	205.010026	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+ACN+H"	42.033826
"1203592"	103.008651	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+ACN+2H"	43.041102
"199745"	370.92356	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+2Na-H"	44.97116
"633838"	533.89976	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+2Na-H"	44.97116
"1135156"	207.94736	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2Na-H"	44.97116
"176260"	185.965418	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+2Na"	45.978436
"616914"	267.453518	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+2Na"	45.978436
"1120419"	104.477318	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2Na"	45.978436
"1402849"	69.987304	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H+2Na"	46.985712
"1434965"	209.988946	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H+HCOOH"	47.012746
"223564"	190.99844	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+3H2O+2H"	56.04448
"1512721"	224.04099	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+IsoProp+H"	61.06479
"412409"	193.952388	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+Na+K"	61.952376
"777780"	275.440488	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+Na+K"	61.952376
"1678124"	112.464288	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Na+K"	61.952376
"259540"	389.968168	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+ACN+Na"	64.015768
"1233347"	226.991968	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+ACN+Na"	64.015768
"1716765"	227.015493	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+NH4+HCOOH"	64.039293
"1192209"	77.314618	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+3Na"	68.967654
"1660764"	231.970888	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Na+HCOOH"	68.994688
"169812"	402.87144	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+2K-H"	76.91904
"604999"	565.84764	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+2K-H"	76.91904
"1090603"	239.89524	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2K-H"	76.91904
"144503"	201.939358	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"2M+2K"	77.926316
"585891"	283.427458	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"3M+2K"	77.926316
"1072591"	120.451258	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2K"	77.926316
"1107986"	241.909792	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2K+H"	78.933592
"1339995"	241.997407	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+DMSO+H"	79.021207
"1006709"	246.036576	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2ACN+H"	83.060376
"1527752"	247.030208	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+IsoProp+Na+H"	84.054008
"993106"	123.521926	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+2ACN+2H"	84.067652
"1589798"	247.944828	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+K+HCOOH"	84.968628
"1418739"	277.976338	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+H+CF3COOH"	115.000138
"1151213"	144.035201	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+3ACN+2H"	125.094202
"1697484"	295.002885	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+NH4+CF3COOH"	132.026685
"1638603"	299.95828	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+Na+CF3COOH"	136.98208
"1579720"	315.93222	"C14764"	"2-Thiophenesulfonamide"	"C4H5NO2S2"	"162.9762"	"M+K+CF3COOH"	152.95602
"815557"	294.2195	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M"	0
"989813"	275.20111	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"72964"	195.139057333333	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"512521"	293.212224	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"887041"	97.0658906666666	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"7804"	293.212224	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"446271"	440.321974	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"824073"	146.102474	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"88439"	587.431724	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"525810"	881.651224	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"899237"	293.212224	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"49238"	604.458271	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"487704"	898.677771	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"867692"	310.238771	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"36687"	609.413666	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"485735"	903.633166	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"862446"	315.194166	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1629059"	315.194166	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"102309"	311.200563	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"537493"	458.310313	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"933196"	164.090813	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"273941"	623.408402	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"669645"	917.627902	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1277675"	329.188902	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"17313"	625.387606	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"457117"	919.607106	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"833580"	331.168106	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1559987"	331.168106	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"951151"	339.217694	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"367179"	633.437201	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"349608"	647.452851	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1502081"	353.233351	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"961604"	361.199651	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"115259"	329.188902	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"559193"	476.298652	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1027992"	182.079152	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1249762"	373.138385	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1311116"	375.194372	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1322414"	397.176329	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"920761"	407.205086	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1293095"	443.181764	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1373444"	259.206824	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1389846"	277.2168	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"286622"	589.446276	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"684149"	883.665776	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1356122"	295.226776	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"128644"	295.226776	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"576953"	442.336526	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1049761"	148.117026	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"214019"	197.153609333333	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"652487"	295.226776	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1174621"	99.0804426666667	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"427327"	606.472823	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"789415"	900.692323	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1684651"	312.253323	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"332932"	303.7400495	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"726444"	450.8497995	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1480991"	156.6302995	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"395056"	611.428218	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"756659"	905.647718	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1605970"	317.208718	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"318077"	306.217747	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"710497"	453.327497	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1465409"	159.107997	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1056470"	106.407756666667	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1259603"	327.252986	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"380003"	627.402158	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"743188"	921.621658	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1546339"	333.182658	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"310076"	314.204717	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"691925"	461.314467	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1450852"	167.094967	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"249299"	630.472826	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1221646"	336.253326	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1205890"	168.630301	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"196574"	633.41016	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"632855"	927.62966	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1134173"	339.19066	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"175277"	317.208718	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"615931"	464.318468	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1120529"	170.098968	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1401866"	113.735070666667	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1433982"	341.232246	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"222945"	322.24174	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1511738"	355.28429	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"411426"	325.195688	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"777890"	472.305438	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1678598"	178.085938	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"261835"	652.454768	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1230177"	358.235268	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1715415"	358.258793	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1184419"	121.062384666667	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1656499"	363.214188	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"165547"	665.35804	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"605109"	959.57754	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1088527"	371.13854	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"145343"	333.182658	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"587094"	480.292408	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1073794"	186.072908	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1109189"	373.153092	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1339012"	373.240707	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1007550"	377.279876	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1532236"	378.273508	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"995404"	189.143576	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1596469"	379.188128	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1423222"	409.219638	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1156791"	209.656851	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1700874"	426.246185	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1639806"	431.20158	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1579831"	447.17552	"C14765"	"13-OxoODE;13-KODE;(9Z11E)-13-Oxooctadeca-911-dienoic acid"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"813479"	294.2195	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M"	0
"987013"	275.20111	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"65781"	195.139057333333	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"510443"	293.212224	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"887151"	97.0658906666666	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"7914"	293.212224	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"446745"	440.321974	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"826369"	146.102474	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"87456"	587.431724	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"524827"	881.651224	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"898254"	293.212224	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"50442"	604.458271	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"488542"	898.677771	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"866709"	310.238771	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"36797"	609.413666	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"483293"	903.633166	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"858542"	315.194166	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1623701"	315.194166	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"100231"	311.200563	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"539791"	458.310313	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"936586"	164.090813	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"274050"	623.408402	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"668662"	917.627902	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1277785"	329.188902	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"17055"	625.387606	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"456255"	919.607106	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"833203"	331.168106	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1559368"	331.168106	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"950168"	339.217694	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"365101"	633.437201	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"351172"	647.452851	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1495265"	353.233351	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"962442"	361.199651	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"115369"	329.188902	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"554197"	476.298652	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1028102"	182.079152	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1244032"	373.138385	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1311226"	375.194372	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1321064"	397.176329	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"920871"	407.205086	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1290287"	443.181764	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1372461"	259.206824	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1388863"	277.2168	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"286368"	589.446276	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"684259"	883.665776	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1355138"	295.226776	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"128026"	295.226776	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"576699"	442.336526	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1046955"	148.117026	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"214129"	197.153609333333	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"653690"	295.226776	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1171815"	99.0804426666667	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"426344"	606.472823	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"789525"	900.692323	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1683668"	312.253323	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"333042"	303.7400495	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"725462"	450.8497995	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1480374"	156.6302995	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"397960"	611.428218	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"757132"	905.647718	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1605959"	317.208718	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"317094"	306.217747	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"710607"	453.327497	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1467705"	159.107997	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1056580"	106.407756666667	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1260443"	327.252986	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"379384"	627.402158	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"744390"	921.621658	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1548635"	333.182658	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"312373"	314.204717	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"693129"	461.314467	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1452054"	167.094967	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"247952"	630.472826	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1221024"	336.253326	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1203813"	168.630301	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"196684"	633.41016	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"634058"	927.62966	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1134283"	339.19066	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"174293"	317.208718	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"616041"	464.318468	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1119545"	170.098968	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1401976"	113.735070666667	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1432998"	341.232246	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"223783"	322.24174	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1511118"	355.28429	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"411536"	325.195688	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"778000"	472.305438	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1677614"	178.085938	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"264132"	652.454768	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1233563"	358.235268	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1716619"	358.258793	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1181609"	121.062384666667	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1654422"	363.214188	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"165657"	665.35804	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"608499"	959.57754	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1089731"	371.13854	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"142538"	333.182658	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"589390"	480.292408	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1076090"	186.072908	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1110392"	373.153092	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1341309"	373.240707	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1009846"	377.279876	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1532346"	378.273508	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"995514"	189.143576	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1593299"	379.188128	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1423332"	409.219638	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1156901"	209.656851	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1700984"	426.246185	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1638823"	431.20158	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1579941"	447.17552	"C14766"	"9-OxoODE;9-KODE;(10E12Z)-9-Oxooctadeca-1012-dienoic acid"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"811403"	296.2351	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M"	0
"989068"	277.21671	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-H2O-H"	-19.01839
"66621"	196.482790666667	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M-3H"	-3.021828
"511647"	295.227824	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M-3H"	-3.021828
"887262"	97.7377573333333	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-3H"	-3.021828
"5109"	295.227824	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H"	-2.014552
"446491"	443.345374	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H"	-2.014552
"824291"	147.110274	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H"	-2.014552
"85377"	591.462924	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M-H"	-1.007276
"523844"	887.698024	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M-H"	-1.007276
"900551"	295.227824	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-H"	-1.007276
"52739"	608.489471	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H+NH4"	16.019271
"491205"	904.724571	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H+NH4"	16.019271
"867913"	312.254371	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H+NH4"	16.019271
"36907"	613.444866	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H+Na"	20.974666
"480851"	909.679966	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H+Na"	20.974666
"855372"	317.209766	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H+Na"	20.974666
"1619802"	317.209766	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na-2H"	20.974666
"99248"	313.216163	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M-H+Cl"	33.962126
"534798"	461.333713	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M-H+Cl"	33.962126
"928434"	165.098613	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+Cl"	33.962126
"270880"	627.439602	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Cl"	34.969402
"668772"	923.674702	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+Cl"	34.969402
"1276802"	331.204502	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl"	34.969402
"15986"	629.418806	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M-2H+K"	36.948606
"455914"	925.653906	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M-2H+K"	36.948606
"832872"	333.183706	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-2H+K"	36.948606
"1556153"	333.183706	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+K-2H"	36.948606
"946633"	341.233294	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+HCOOH"	44.998194
"361503"	637.468401	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+HCOOH-H"	44.998201
"345809"	651.484051	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Hac-H"	59.013851
"1495740"	355.248951	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Hac-H"	59.013851
"958947"	363.215251	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+NaCOOH"	66.980151
"111459"	331.204502	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2Cl"	69.938804
"550413"	479.322052	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2Cl"	69.938804
"1021353"	183.086952	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2Cl"	69.938804
"1246330"	375.153985	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Br"	78.918885
"1311336"	377.209972	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl+HCOOH"	80.974872
"1323362"	399.191929	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl+NaCOOH"	102.956829
"915877"	409.220686	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M-H+CF3COOH"	112.985586
"1291128"	445.197364	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Cl+CF3COOH"	148.962264
"1372571"	261.222424	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H-2H2O"	-35.012676
"1391160"	279.2324	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H-H2O"	-17.0027
"286838"	593.477476	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H"	1.007276
"679626"	889.712576	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H"	1.007276
"1351967"	297.242376	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H"	1.007276
"129227"	297.242376	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2H"	2.014552
"569882"	445.359926	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2H"	2.014552
"1044149"	149.124826	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2H"	2.014552
"215333"	198.497342666667	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+3H"	3.021828
"649425"	297.242376	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+3H"	3.021828
"1168644"	99.7523093333333	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+3H"	3.021828
"425111"	610.504023	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+NH4"	18.033823
"786229"	906.739123	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+NH4"	18.033823
"1683779"	314.268923	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+NH4"	18.033823
"330273"	305.7556495	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H+NH4"	19.041099
"724475"	453.8731995	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H+NH4"	19.041099
"1479389"	157.6380995	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+NH4"	19.041099
"396974"	615.459418	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Na"	22.989218
"759065"	911.694518	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+Na"	22.989218
"1608257"	319.224318	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na"	22.989218
"319391"	308.233347	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H+Na"	23.996494
"711811"	456.350897	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H+Na"	23.996494
"1466723"	160.115797	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+Na"	23.996494
"1061064"	107.079623333333	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2H+Na"	25.00377
"1262742"	329.268586	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+CH3OH+H"	33.033486
"381319"	631.433358	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+K"	38.963158
"745594"	927.668458	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+K"	38.963158
"1548745"	335.198258	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+K"	38.963158
"312119"	316.220317	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+H+K"	39.970434
"698342"	464.337867	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+H+K"	39.970434
"1449977"	168.102767	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+K"	39.970434
"248426"	634.504026	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+H"	42.033826
"1216761"	338.268926	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+ACN+H"	42.033826
"1201736"	169.638101	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+ACN+2H"	43.041102
"194608"	637.44136	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2Na-H"	44.97116
"634168"	933.67646	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2Na-H"	44.97116
"1134393"	341.20626	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2Na-H"	44.97116
"175496"	319.224318	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2Na"	45.978436
"617241"	467.341868	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2Na"	45.978436
"1121477"	171.106768	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2Na"	45.978436
"1404271"	114.406937333333	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+2Na"	46.985712
"1436751"	343.247846	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+HCOOH"	47.012746
"227905"	324.25734	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+3H2O+2H"	56.04448
"1514873"	357.29989	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+H"	61.06479
"414924"	327.211288	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+Na+K"	61.952376
"774826"	475.328838	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+Na+K"	61.952376
"1673341"	179.093738	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na+K"	61.952376
"258765"	656.485968	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+Na"	64.015768
"1236588"	360.250868	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+ACN+Na"	64.015768
"1717095"	360.274393	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+NH4+HCOOH"	64.039293
"1182450"	121.734251333333	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+3Na"	68.967654
"1654532"	365.229788	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na+HCOOH"	68.994688
"163580"	669.38924	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2K-H"	76.91904
"605329"	965.62434	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2K-H"	76.91904
"1093121"	373.15414	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2K-H"	76.91904
"146657"	335.198258	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"2M+2K"	77.926316
"589500"	483.315808	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"3M+2K"	77.926316
"1075107"	187.080708	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2K"	77.926316
"1103941"	375.168692	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2K+H"	78.933592
"1336678"	375.256307	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+DMSO+H"	79.021207
"1014333"	379.295476	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+H"	83.060376
"1531364"	380.289108	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+Na+H"	84.054008
"995624"	190.151376	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+2H"	84.067652
"1590126"	381.203728	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+K+HCOOH"	84.968628
"1417974"	411.235238	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+H+CF3COOH"	115.000138
"1157011"	210.664651	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+3ACN+2H"	125.094202
"1697814"	428.261785	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+NH4+CF3COOH"	132.026685
"1638933"	433.21718	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+Na+CF3COOH"	136.98208
"1580051"	449.19112	"C14767"	"9(S)-HODE;(9S)-Hydroxyoctadecadienoic acid;(10E12Z)-(9S)-9-Hydroxyoctadeca-1012-dienoic acid"	"C18H32O3"	"296.2351"	"M+K+CF3COOH"	152.95602
"811513"	320.2351	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M"	0
"986140"	301.21671	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"70011"	212.482790666667	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"513943"	319.227824	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"889559"	105.737757333333	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"7042"	319.227824	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"446601"	479.345374	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"821121"	159.110274	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"86581"	639.462924	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"525048"	959.698024	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"897745"	319.227824	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"49565"	656.489471	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"490219"	976.724571	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"869114"	336.254371	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"38111"	661.444866	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"480961"	981.679966	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"852202"	341.209766	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1618816"	341.209766	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"99358"	337.216163	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"535637"	497.333713	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"929151"	177.098613	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"272083"	675.439602	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"666694"	995.674702	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1278005"	355.204502	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"16914"	677.418806	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"456596"	997.653906	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"836101"	357.183706	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1557036"	357.183706	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"946743"	365.233294	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"362041"	685.468401	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"349935"	699.484051	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1492946"	379.248951	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"961571"	387.215251	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"110134"	355.204502	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"550888"	515.322052	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1021433"	195.086952	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1241574"	399.153985	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1314722"	401.209972	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1326021"	423.191929	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"913432"	433.220686	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1293061"	469.197364	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1374868"	285.222424	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1391270"	303.2324	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"284032"	641.477476	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"677548"	961.712576	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1356452"	321.242376	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"128974"	321.242376	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"572180"	481.359926	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1040614"	161.124826	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"215078"	214.497342666667	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"650628"	321.242376	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1175317"	107.752309333333	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"425589"	658.504023	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"787555"	978.739123	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1684981"	338.268923	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"331558"	329.7556495	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"724703"	489.8731995	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1480594"	169.6380995	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"398178"	663.459418	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"756988"	983.694518	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1607273"	343.224318	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"316583"	332.233347	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"710827"	492.350897	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1464648"	172.115797	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1053112"	115.079623333333	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1259573"	353.268586	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"384709"	679.433358	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"744613"	999.668458	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1549949"	359.198258	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"310407"	340.220317	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"694079"	500.337867	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1454466"	180.102767	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"239790"	682.504026	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1221245"	362.268926	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1200754"	181.638101	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"195811"	685.44136	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"633185"	1005.67646	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1137784"	365.20626	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"174513"	343.224318	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"616259"	503.341868	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1118671"	183.106768	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1402194"	122.406937333333	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1433217"	367.247846	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"225098"	348.25734	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1515348"	381.29989	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"412849"	351.211288	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"776030"	511.328838	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1669079"	191.093738	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"255959"	704.485968	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1227215"	384.250868	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1719392"	384.274393	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1183653"	129.734251333333	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1654642"	389.229788	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"162597"	717.38924	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"608719"	1037.62434	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1095418"	397.15414	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"150047"	359.198258	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"591797"	519.315808	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1079590"	199.080708	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1106237"	399.168692	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1341530"	399.256307	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1012258"	403.295476	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1530381"	404.289108	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"999015"	202.151376	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1591328"	405.203728	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1422457"	435.235238	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1156029"	222.664651	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1701204"	452.261785	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1639043"	457.21718	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1583441"	473.19112	"C14768"	"56-EET;(8Z11Z14Z)-56-Epoxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Epoxyicosa-81114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"811623"	320.2351	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M"	0
"986250"	301.21671	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"77773"	212.482790666667	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"510774"	319.227824	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"889669"	105.737757333333	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"9341"	319.227824	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"449992"	479.345374	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"823419"	159.110274	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"88878"	639.462924	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"526251"	959.698024	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"897247"	319.227824	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"48579"	656.489471	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"493607"	976.724571	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"869224"	336.254371	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"34941"	661.444866	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"482165"	981.679966	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"855592"	341.209766	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1620750"	341.209766	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"96307"	337.216163	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"535136"	497.333713	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"927675"	177.098613	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"269398"	675.439602	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"660601"	995.674702	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1274835"	355.204502	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"17145"	677.418806	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"455866"	997.653906	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"833084"	357.183706	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1556538"	357.183706	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"944665"	365.233294	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"361785"	685.468401	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"348585"	699.484051	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1494138"	379.248951	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"959614"	387.215251	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"110707"	355.204502	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"550003"	515.322052	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1021461"	195.086952	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1241395"	399.153985	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1307176"	401.209972	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1326131"	423.191929	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"911717"	433.220686	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1296816"	469.197364	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1377530"	285.222424	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1386277"	303.2324	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"284505"	641.477476	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"677294"	961.712576	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1354739"	321.242376	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"128356"	321.242376	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"567550"	481.359926	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1045464"	161.124826	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"213366"	214.497342666667	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"657300"	321.242376	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1171052"	107.752309333333	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"425334"	658.504023	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"790947"	978.739123	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1686185"	338.268923	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"332640"	329.7556495	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"726882"	489.8731995	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1481799"	169.6380995	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"395376"	663.459418	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"757099"	983.694518	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1608477"	343.224318	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"318879"	332.233347	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"712395"	492.350897	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1468034"	172.115797	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1060191"	115.079623333333	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1259683"	353.268586	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"384819"	679.433358	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"744724"	999.668458	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1548966"	359.198258	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"310517"	340.220317	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"695285"	500.337867	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1455669"	180.102767	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"240994"	682.504026	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1216981"	362.268926	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1205604"	181.638101	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"197015"	685.44136	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"633295"	1005.67646	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1137894"	365.20626	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"175716"	343.224318	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"616370"	503.341868	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1122061"	183.106768	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1403397"	122.406937333333	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1435513"	367.247846	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"227395"	348.25734	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1519468"	381.29989	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"416239"	351.211288	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"777233"	511.328838	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1669190"	191.093738	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"257892"	704.485968	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1228782"	384.250868	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1719502"	384.274393	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1188138"	129.734251333333	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1651472"	389.229788	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"162707"	717.38924	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"604455"	1037.62434	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1093341"	397.15414	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"152344"	359.198258	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"585346"	519.315808	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1077513"	199.080708	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1105254"	399.168692	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1336900"	399.256307	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1013457"	403.295476	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1531584"	404.289108	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"998031"	202.151376	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1590708"	405.203728	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1421474"	435.235238	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1155044"	222.664651	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1704596"	452.261785	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1644621"	457.21718	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1583551"	473.19112	"C14769"	"89-EET;(5Z11Z14Z)-89-Epoxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Epoxyicosa-51114-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"811733"	320.2351	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M"	0
"987819"	301.21671	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"75696"	212.482790666667	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"516350"	319.227824	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"893059"	105.737757333333	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"9451"	319.227824	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"450103"	479.345374	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"824623"	159.110274	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"84615"	639.462924	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"525269"	959.698024	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"896141"	319.227824	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"47398"	656.489471	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"490437"	976.724571	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"866056"	336.254371	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"36140"	661.444866	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"483004"	981.679966	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"855702"	341.209766	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1623047"	341.209766	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"96297"	337.216163	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"534331"	497.333713	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"930464"	177.098613	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"271210"	675.439602	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"660346"	995.674702	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1283695"	355.204502	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"21875"	677.418806	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"463624"	997.653906	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"834619"	357.183706	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1561634"	357.183706	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"947329"	365.233294	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"362990"	685.468401	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"347602"	699.484051	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1493519"	379.248951	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"958995"	387.215251	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"110450"	355.204502	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"550255"	515.322052	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1021807"	195.086952	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1246296"	399.153985	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1316771"	401.209972	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1330253"	423.191929	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"918029"	433.220686	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1293647"	469.197364	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1371811"	285.222424	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1384565"	303.2324	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"292278"	641.477476	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"680323"	961.712576	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1358862"	321.242376	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"137216"	321.242376	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"575685"	481.359926	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1044484"	161.124826	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"211291"	214.497342666667	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"651945"	321.242376	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1167883"	107.752309333333	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"426419"	658.504023	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"786320"	978.739123	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1681921"	338.268923	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"332751"	329.7556495	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"723472"	489.8731995	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1477414"	169.6380995	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"397311"	663.459418	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"760494"	983.694518	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1605675"	343.224318	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"318993"	332.233347	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"713966"	492.350897	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1468879"	172.115797	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1064312"	115.079623333333	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1266357"	353.268586	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"384564"	679.433358	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"743740"	999.668458	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1549075"	359.198258	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"301875"	340.220317	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"696488"	500.337867	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1457965"	180.102767	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"247661"	682.504026	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1218185"	362.268926	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1205347"	181.638101	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"199312"	685.44136	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"638509"	1005.67646	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1138004"	365.20626	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"179107"	343.224318	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"614535"	503.341868	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1119985"	183.106768	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1402415"	122.406937333333	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1431494"	367.247846	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"231152"	348.25734	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1520308"	381.29989	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"417442"	351.211288	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"779530"	511.328838	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1672580"	191.093738	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"255817"	704.485968	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1231810"	384.250868	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1723988"	384.274393	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1188248"	129.734251333333	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1654862"	389.229788	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"163910"	717.38924	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"607845"	1037.62434	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1092357"	397.15414	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"152454"	359.198258	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590923"	519.315808	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1076530"	199.080708	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1104271"	399.168692	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1338469"	399.256307	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1013563"	403.295476	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1531688"	404.289108	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1001420"	202.151376	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1598111"	405.203728	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1420489"	435.235238	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1161352"	222.664651	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1702519"	452.261785	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1649351"	457.21718	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1583661"	473.19112	"C14770"	"1112-EET;(5Z8Z14Z)-1112-Epoxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Epoxyicosa-5814-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"811843"	320.2351	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M"	0
"987929"	301.21671	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"72526"	212.482790666667	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"505524"	319.227824	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"883325"	105.737757333333	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"7372"	319.227824	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"442557"	479.345374	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"817238"	159.110274	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"79010"	639.462924	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"519414"	959.698024	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"896130"	319.227824	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"47706"	656.489471	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"489086"	976.724571	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"865552"	336.254371	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"33331"	661.444866	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"482385"	981.679966	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"855812"	341.209766	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1625344"	341.209766	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"94444"	337.216163	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"534290"	497.333713	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"930574"	177.098613	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"267795"	675.439602	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"659978"	995.674702	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1282711"	355.204502	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"21985"	677.418806	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"461547"	997.653906	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"834972"	357.183706	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1560651"	357.183706	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"947439"	365.233294	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"362372"	685.468401	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"346620"	699.484051	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1493260"	379.248951	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"959714"	387.215251	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"110316"	355.204502	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"550411"	515.322052	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1022320"	195.086952	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1246042"	399.153985	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1317245"	401.209972	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1328177"	423.191929	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"918139"	433.220686	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1298131"	469.197364	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1375201"	285.222424	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1386135"	303.2324	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"290201"	641.477476	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"679340"	961.712576	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1364439"	321.242376	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"137326"	321.242376	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"575795"	481.359926	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1048240"	161.124826	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"213588"	214.497342666667	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"655336"	321.242376	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1174189"	107.752309333333	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"427986"	658.504023	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"788253"	978.739123	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1682031"	338.268923	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"332862"	329.7556495	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"724311"	489.8731995	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1480564"	169.6380995	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"395963"	663.459418	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"758782"	983.694518	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1606879"	343.224318	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"318373"	332.233347	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"713347"	492.350897	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1468260"	172.115797	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1062599"	115.079623333333	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1262456"	353.268586	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"385038"	679.433358	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"744942"	999.668458	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1546996"	359.198258	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"303078"	340.220317	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"697692"	500.337867	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1446410"	180.102767	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"242302"	682.504026	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1215012"	362.268926	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1202176"	181.638101	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"191766"	685.44136	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"633515"	1005.67646	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1133861"	365.20626	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"176056"	343.224318	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"616588"	503.341868	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1116123"	183.106768	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1398756"	122.406937333333	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1429972"	367.247846	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"222149"	348.25734	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1512399"	381.29989	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"413179"	351.211288	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"774173"	511.328838	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1668316"	191.093738	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"253011"	704.485968	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1230826"	384.250868	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1718629"	384.274393	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1187265"	129.734251333333	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1659347"	389.229788	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"166208"	717.38924	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"609050"	1037.62434	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1092468"	397.15414	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"148191"	359.198258	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"585566"	519.315808	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1071173"	199.080708	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1104381"	399.168692	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1336388"	399.256307	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1013673"	403.295476	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1528517"	404.289108	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1000437"	202.151376	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1600408"	405.203728	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1426067"	435.235238	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1157451"	222.664651	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1709190"	452.261785	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1647758"	457.21718	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1580491"	473.19112	"C14771"	"1415-EET;(5Z8Z11Z)-1415-Epoxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Epoxyicosa-5811-trienoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"810859"	338.2457	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M"	0
"987310"	319.22731	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H2O-H"	-19.01839
"70449"	224.489857333333	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-3H"	-3.021828
"503689"	337.238424	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-3H"	-3.021828
"881002"	111.741290666667	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-3H"	-3.021828
"5295"	337.238424	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H"	-2.014552
"443760"	506.361274	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H"	-2.014552
"818644"	168.115574	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H"	-2.014552
"79119"	675.484124	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H"	-1.007276
"519644"	1013.729824	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H"	-1.007276
"896117"	337.238424	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H"	-1.007276
"49147"	692.510671	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+NH4"	16.019271
"489561"	1030.756371	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+NH4"	16.019271
"867117"	354.264971	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+NH4"	16.019271
"33441"	697.466066	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+Na"	20.974666
"473744"	1035.711766	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+Na"	20.974666
"855922"	359.220366	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+Na"	20.974666
"1623267"	359.220366	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na-2H"	20.974666
"94733"	355.226763	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H+Cl"	33.962126
"534310"	524.349613	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H+Cl"	33.962126
"930684"	186.103913	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+Cl"	33.962126
"267904"	711.460802	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Cl"	34.969402
"660436"	1049.706502	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Cl"	34.969402
"1280633"	373.215102	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl"	34.969402
"21002"	713.440006	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+K"	36.948606
"460564"	1051.685706	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+K"	36.948606
"834354"	375.194306	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+K"	36.948606
"1560761"	375.194306	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K-2H"	36.948606
"946820"	383.243894	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+HCOOH"	44.998194
"363940"	721.489601	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+HCOOH-H"	44.998201
"347094"	735.505251	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Hac-H"	59.013851
"1493009"	397.259551	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Hac-H"	59.013851
"962740"	405.225851	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+NaCOOH"	66.980151
"110793"	373.215102	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Cl"	69.938804
"551209"	542.337952	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Cl"	69.938804
"1021622"	204.092252	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Cl"	69.938804
"1241390"	417.164585	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Br"	78.918885
"1304297"	419.220572	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+HCOOH"	80.974872
"1320991"	441.202529	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+NaCOOH"	102.956829
"913511"	451.231286	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+CF3COOH"	112.985586
"1298241"	487.207964	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+CF3COOH"	148.962264
"1375311"	303.233024	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-2H2O"	-35.012676
"1385152"	321.243	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-H2O"	-17.0027
"290311"	677.498676	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H"	1.007276
"681637"	1015.744376	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H"	1.007276
"1364549"	339.252976	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H"	1.007276
"135250"	339.252976	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2H"	2.014552
"579185"	508.375826	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2H"	2.014552
"1049078"	170.130126	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H"	2.014552
"216979"	226.504409333333	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H"	3.021828
"655448"	339.252976	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+3H"	3.021828
"1171385"	113.755842666667	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+3H"	3.021828
"429190"	694.525223	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+NH4"	18.033823
"789092"	1032.770923	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+NH4"	18.033823
"1684693"	356.279523	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4"	18.033823
"336983"	347.7662495	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+NH4"	19.041099
"728310"	516.8890995	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+NH4"	19.041099
"1481403"	178.6433995	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+NH4"	19.041099
"398624"	699.480618	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na"	22.989218
"760714"	1037.726318	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na"	22.989218
"1608082"	361.234918	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na"	22.989218
"318483"	350.243947	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+Na"	23.996494
"713457"	519.366797	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+Na"	23.996494
"1469463"	181.121097	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+Na"	23.996494
"1059429"	121.083156666667	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H+Na"	25.00377
"1264389"	371.279186	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+CH3OH+H"	33.033486
"379681"	715.454558	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+K"	38.963158
"741772"	1053.700258	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+K"	38.963158
"1542367"	377.208858	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K"	38.963158
"302095"	358.230917	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+K"	39.970434
"695615"	527.353767	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+K"	39.970434
"1447613"	189.108067	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+K"	39.970434
"239132"	718.525226	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+H"	42.033826
"1216216"	380.279526	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+H"	42.033826
"1199005"	190.643401	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+2H"	43.041102
"192969"	721.46256	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na-H"	44.97116
"635809"	1059.70826	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na-H"	44.97116
"1140410"	383.21686	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na-H"	44.97116
"177137"	361.234918	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na"	45.978436
"618884"	530.357768	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na"	45.978436
"1117045"	192.112068	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na"	45.978436
"1398553"	128.410470666667	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+2Na"	46.985712
"1430499"	385.258446	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+HCOOH"	47.012746
"223352"	366.26794	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H2O+2H"	56.04448
"1512508"	399.31049	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+H"	61.06479
"415475"	369.221888	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na+K"	61.952376
"772096"	538.344738	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na+K"	61.952376
"1670613"	200.099038	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+K"	61.952376
"254214"	740.507168	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+Na"	64.015768
"1228749"	402.261468	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+Na"	64.015768
"1720925"	402.284993	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+HCOOH"	64.039293
"1187375"	135.737784666667	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+3Na"	68.967654
"1653987"	407.240388	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+HCOOH"	68.994688
"167411"	753.41044	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K-H"	76.91904
"608066"	1091.65614	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K-H"	76.91904
"1093671"	415.16474	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K-H"	76.91904
"149394"	377.208858	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K"	77.926316
"585676"	546.331708	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K"	77.926316
"1074563"	208.086008	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K"	77.926316
"1104491"	417.179292	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K+H"	78.933592
"1336258"	417.266907	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+DMSO+H"	79.021207
"1013782"	421.306076	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+H"	83.060376
"1531907"	422.299708	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+Na+H"	84.054008
"1002369"	211.156676	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+2H"	84.067652
"1600520"	423.214328	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+HCOOH"	84.968628
"1427270"	453.245838	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+CF3COOH"	115.000138
"1157561"	231.669951	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+3ACN+2H"	125.094202
"1708207"	470.272385	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+CF3COOH"	132.026685
"1648232"	475.22778	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+CF3COOH"	136.98208
"1580601"	491.20172	"C14772"	"56-DHET;(8Z11Z14Z)-56-Dihydroxyeicosa-81114-trienoic acid;(8Z11Z14Z)-56-Dihydroxyicosa-81114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+CF3COOH"	152.95602
"809876"	338.2457	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M"	0
"986690"	319.22731	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H2O-H"	-19.01839
"70559"	224.489857333333	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-3H"	-3.021828
"503557"	337.238424	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-3H"	-3.021828
"881356"	111.741290666667	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-3H"	-3.021828
"5405"	337.238424	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H"	-2.014552
"442777"	506.361274	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H"	-2.014552
"817172"	168.115574	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H"	-2.014552
"78743"	675.484124	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H"	-1.007276
"520611"	1013.729824	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H"	-1.007276
"897558"	337.238424	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H"	-1.007276
"49745"	692.510671	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+NH4"	16.019271
"491860"	1030.756371	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+NH4"	16.019271
"867109"	354.264971	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+NH4"	16.019271
"33432"	697.466066	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+Na"	20.974666
"473854"	1035.711766	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+Na"	20.974666
"851655"	359.220366	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+Na"	20.974666
"1620097"	359.220366	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na-2H"	20.974666
"96625"	355.226763	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H+Cl"	33.962126
"534848"	524.349613	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H+Cl"	33.962126
"930794"	186.103913	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+Cl"	33.962126
"269717"	711.460802	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Cl"	34.969402
"660231"	1049.706502	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Cl"	34.969402
"1280743"	373.215102	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl"	34.969402
"18925"	713.440006	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+K"	36.948606
"462860"	1051.685706	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+K"	36.948606
"834828"	375.194306	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+K"	36.948606
"1561963"	375.194306	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K-2H"	36.948606
"945472"	383.243894	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+HCOOH"	44.998194
"363321"	721.489601	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+HCOOH-H"	44.998201
"347933"	735.505251	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Hac-H"	59.013851
"1493845"	397.259551	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Hac-H"	59.013851
"960291"	405.225851	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+NaCOOH"	66.980151
"111750"	373.215102	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Cl"	69.938804
"550951"	542.337952	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Cl"	69.938804
"1021936"	204.092252	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Cl"	69.938804
"1242119"	417.164585	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Br"	78.918885
"1305786"	419.220572	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+HCOOH"	80.974872
"1320243"	441.202529	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+NaCOOH"	102.956829
"912162"	451.231286	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+CF3COOH"	112.985586
"1298351"	487.207964	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+CF3COOH"	148.962264
"1375421"	303.233024	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-2H2O"	-35.012676
"1387448"	321.243	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-H2O"	-17.0027
"289328"	677.498676	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H"	1.007276
"681747"	1015.744376	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H"	1.007276
"1362472"	339.252976	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H"	1.007276
"137547"	339.252976	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2H"	2.014552
"579297"	508.375826	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2H"	2.014552
"1051376"	170.130126	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H"	2.014552
"213808"	226.504409333333	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H"	3.021828
"656286"	339.252976	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+3H"	3.021828
"1173682"	113.755842666667	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+3H"	3.021828
"426385"	694.525223	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+NH4"	18.033823
"786040"	1032.770923	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+NH4"	18.033823
"1683710"	356.279523	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4"	18.033823
"338186"	347.7662495	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+NH4"	19.041099
"727327"	516.8890995	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+NH4"	19.041099
"1481149"	178.6433995	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+NH4"	19.041099
"398734"	699.480618	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na"	22.989218
"760824"	1037.726318	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na"	22.989218
"1608192"	361.234918	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na"	22.989218
"321145"	350.243947	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+Na"	23.996494
"719036"	519.366797	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+Na"	23.996494
"1469573"	181.121097	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+Na"	23.996494
"1063913"	121.083156666667	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H+Na"	25.00377
"1264499"	371.279186	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+CH3OH+H"	33.033486
"379791"	715.454558	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+K"	38.963158
"744069"	1053.700258	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+K"	38.963158
"1542843"	377.208858	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K"	38.963158
"300383"	358.230917	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+K"	39.970434
"696818"	527.353767	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+K"	39.970434
"1446630"	189.108067	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+K"	39.970434
"239242"	718.525226	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+H"	42.033826
"1210860"	380.279526	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+H"	42.033826
"1196931"	190.643401	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+2H"	43.041102
"193080"	721.46256	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na-H"	44.97116
"632640"	1059.70826	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na-H"	44.97116
"1135052"	383.21686	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na-H"	44.97116
"179434"	361.234918	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na"	45.978436
"620087"	530.357768	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na"	45.978436
"1119219"	192.112068	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na"	45.978436
"1400555"	128.410470666667	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+2Na"	46.985712
"1434860"	385.258446	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+HCOOH"	47.012746
"223461"	366.26794	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H2O+2H"	56.04448
"1518084"	399.31049	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+H"	61.06479
"417769"	369.221888	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na+K"	61.952376
"777669"	538.344738	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na+K"	61.952376
"1674000"	200.099038	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+K"	61.952376
"261613"	740.507168	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+Na"	64.015768
"1227760"	402.261468	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+Na"	64.015768
"1716662"	402.284993	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+HCOOH"	64.039293
"1185297"	135.737784666667	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+3Na"	68.967654
"1657375"	407.240388	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+HCOOH"	68.994688
"165334"	753.41044	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K-H"	76.91904
"608176"	1091.65614	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K-H"	76.91904
"1097061"	415.16474	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K-H"	76.91904
"153878"	377.208858	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K"	77.926316
"586880"	546.331708	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K"	77.926316
"1071393"	208.086008	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K"	77.926316
"1104601"	417.179292	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K+H"	78.933592
"1338800"	417.266907	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+DMSO+H"	79.021207
"1007573"	421.306076	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+H"	83.060376
"1527643"	422.299708	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+Na+H"	84.054008
"996281"	211.156676	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+2H"	84.067652
"1600993"	423.214328	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+HCOOH"	84.968628
"1425193"	453.245838	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+CF3COOH"	115.000138
"1158764"	231.669951	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+3ACN+2H"	125.094202
"1701753"	470.272385	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+CF3COOH"	132.026685
"1642874"	475.22778	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+CF3COOH"	136.98208
"1577431"	491.20172	"C14773"	"89-DHET;(5Z11Z14Z)-89-Dihydroxyeicosa-51114-trienoic acid;(5Z11Z14Z)-89-Dihydroxyicosa-51114-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+CF3COOH"	152.95602
"809986"	338.2457	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M"	0
"986800"	319.22731	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-H2O-H"	-19.01839
"72857"	224.489857333333	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M-3H"	-3.021828
"511322"	337.238424	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M-3H"	-3.021828
"884748"	111.741290666667	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-3H"	-3.021828
"7702"	337.238424	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H"	-2.014552
"446168"	506.361274	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H"	-2.014552
"818865"	168.115574	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H"	-2.014552
"81040"	675.484124	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H"	-1.007276
"521329"	1013.729824	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H"	-1.007276
"897065"	337.238424	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-H"	-1.007276
"49252"	692.510671	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+NH4"	16.019271
"492335"	1030.756371	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+NH4"	16.019271
"867952"	354.264971	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+NH4"	16.019271
"35851"	697.466066	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+Na"	20.974666
"473110"	1035.711766	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+Na"	20.974666
"849818"	359.220366	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+Na"	20.974666
"1620207"	359.220366	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na-2H"	20.974666
"97828"	355.226763	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H+Cl"	33.962126
"535566"	524.349613	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H+Cl"	33.962126
"930904"	186.103913	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+Cl"	33.962126
"270556"	711.460802	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Cl"	34.969402
"660665"	1049.706502	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Cl"	34.969402
"1278666"	373.215102	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl"	34.969402
"17210"	713.440006	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+K"	36.948606
"460783"	1051.685706	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+K"	36.948606
"833835"	375.194306	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+K"	36.948606
"1556359"	375.194306	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+K-2H"	36.948606
"945944"	383.243894	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+HCOOH"	44.998194
"363428"	721.489601	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+HCOOH-H"	44.998201
"347672"	735.505251	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Hac-H"	59.013851
"1497962"	397.259551	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Hac-H"	59.013851
"960766"	405.225851	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+NaCOOH"	66.980151
"112589"	373.215102	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Cl"	69.938804
"551061"	542.337952	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Cl"	69.938804
"1022046"	204.092252	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Cl"	69.938804
"1242838"	417.164585	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Br"	78.918885
"1307718"	419.220572	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+HCOOH"	80.974872
"1323756"	441.202529	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+NaCOOH"	102.956829
"912629"	451.231286	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+CF3COOH"	112.985586
"1296274"	487.207964	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+CF3COOH"	148.962264
"1375531"	303.233024	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-2H2O"	-35.012676
"1388652"	321.243	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-H2O"	-17.0027
"289438"	677.498676	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H"	1.007276
"686232"	1015.744376	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H"	1.007276
"1358209"	339.252976	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H"	1.007276
"139845"	339.252976	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2H"	2.014552
"577220"	508.375826	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2H"	2.014552
"1049298"	170.130126	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H"	2.014552
"212825"	226.504409333333	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H"	3.021828
"652387"	339.252976	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+3H"	3.021828
"1174886"	113.755842666667	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+3H"	3.021828
"427225"	694.525223	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+NH4"	18.033823
"786639"	1032.770923	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+NH4"	18.033823
"1683821"	356.279523	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4"	18.033823
"339389"	347.7662495	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+NH4"	19.041099
"727437"	516.8890995	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+NH4"	19.041099
"1479799"	178.6433995	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+NH4"	19.041099
"397751"	699.480618	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na"	22.989218
"758748"	1037.726318	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na"	22.989218
"1606845"	361.234918	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na"	22.989218
"320160"	350.243947	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+Na"	23.996494
"718053"	519.366797	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+Na"	23.996494
"1467496"	181.121097	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+Na"	23.996494
"1064023"	121.083156666667	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H+Na"	25.00377
"1263515"	371.279186	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+CH3OH+H"	33.033486
"382087"	715.454558	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+K"	38.963158
"740899"	1053.700258	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+K"	38.963158
"1541251"	377.208858	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+K"	38.963158
"300493"	358.230917	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+K"	39.970434
"696928"	527.353767	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+K"	39.970434
"1447469"	189.108067	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+K"	39.970434
"241539"	718.525226	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+H"	42.033826
"1212062"	380.279526	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+H"	42.033826
"1195701"	190.643401	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+2H"	43.041102
"193191"	721.46256	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na-H"	44.97116
"631292"	1059.70826	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na-H"	44.97116
"1139534"	383.21686	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na-H"	44.97116
"183918"	361.234918	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na"	45.978436
"623477"	530.357768	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na"	45.978436
"1120422"	192.112068	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na"	45.978436
"1405039"	128.410470666667	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+2Na"	46.985712
"1439343"	385.258446	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+HCOOH"	47.012746
"230132"	366.26794	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H2O+2H"	56.04448
"1522572"	399.31049	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+H"	61.06479
"423756"	369.221888	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na+K"	61.952376
"785627"	538.344738	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na+K"	61.952376
"1680552"	200.099038	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+K"	61.952376
"265005"	740.507168	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+Na"	64.015768
"1234432"	402.261468	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+Na"	64.015768
"1726613"	402.284993	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+HCOOH"	64.039293
"1190508"	135.737784666667	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+3Na"	68.967654
"1660766"	407.240388	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+HCOOH"	68.994688
"165444"	753.41044	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K-H"	76.91904
"607191"	1091.65614	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K-H"	76.91904
"1093891"	415.16474	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K-H"	76.91904
"147428"	377.208858	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K"	77.926316
"583707"	546.331708	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K"	77.926316
"1069555"	208.086008	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K"	77.926316
"1102524"	417.179292	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K+H"	78.933592
"1338910"	417.266907	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+DMSO+H"	79.021207
"1007441"	421.306076	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+H"	83.060376
"1524836"	422.299708	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+Na+H"	84.054008
"996391"	211.156676	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+2H"	84.067652
"1597457"	423.214328	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+HCOOH"	84.968628
"1422022"	453.245838	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+CF3COOH"	115.000138
"1157781"	231.669951	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+3ACN+2H"	125.094202
"1701863"	470.272385	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+CF3COOH"	132.026685
"1642984"	475.22778	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+CF3COOH"	136.98208
"1577541"	491.20172	"C14774"	"1112-DHET;(5Z8Z14Z)-1112-Dihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-1112-Dihydroxyicosa-5814-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+CF3COOH"	152.95602
"802075"	338.2457	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M"	0
"985817"	319.22731	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-H2O-H"	-19.01839
"72967"	224.489857333333	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M-3H"	-3.021828
"511432"	337.238424	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M-3H"	-3.021828
"887044"	111.741290666667	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-3H"	-3.021828
"6719"	337.238424	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H"	-2.014552
"446278"	506.361274	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H"	-2.014552
"821161"	168.115574	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H"	-2.014552
"82974"	675.484124	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H"	-1.007276
"523261"	1013.729824	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H"	-1.007276
"899242"	337.238424	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-H"	-1.007276
"49971"	692.510671	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+NH4"	16.019271
"492082"	1030.756371	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+NH4"	16.019271
"868791"	354.264971	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+NH4"	16.019271
"35596"	697.466066	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+Na"	20.974666
"473222"	1035.711766	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+Na"	20.974666
"851874"	359.220366	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+Na"	20.974666
"1627971"	359.220366	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na-2H"	20.974666
"103406"	355.226763	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M-H+Cl"	33.962126
"541874"	524.349613	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M-H+Cl"	33.962126
"936480"	186.103913	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+Cl"	33.962126
"276132"	711.460802	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Cl"	34.969402
"660411"	1049.706502	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Cl"	34.969402
"1278776"	373.215102	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl"	34.969402
"17320"	713.440006	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M-2H+K"	36.948606
"460893"	1051.685706	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M-2H+K"	36.948606
"833345"	375.194306	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-2H+K"	36.948606
"1558536"	375.194306	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+K-2H"	36.948606
"946785"	383.243894	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+HCOOH"	44.998194
"363538"	721.489601	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+HCOOH-H"	44.998201
"346326"	735.505251	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Hac-H"	59.013851
"1495523"	397.259551	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Hac-H"	59.013851
"959787"	405.225851	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+NaCOOH"	66.980151
"114527"	373.215102	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Cl"	69.938804
"550442"	542.337952	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Cl"	69.938804
"1023616"	204.092252	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Cl"	69.938804
"1242827"	417.164585	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Br"	78.918885
"1307101"	419.220572	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+HCOOH"	80.974872
"1323867"	441.202529	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+NaCOOH"	102.956829
"915291"	451.231286	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M-H+CF3COOH"	112.985586
"1291636"	487.207964	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Cl+CF3COOH"	148.962264
"1373442"	303.233024	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-2H2O"	-35.012676
"1392042"	321.243	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H-H2O"	-17.0027
"289548"	677.498676	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H"	1.007276
"686342"	1015.744376	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H"	1.007276
"1356132"	339.252976	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H"	1.007276
"135581"	339.252976	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2H"	2.014552
"579518"	508.375826	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2H"	2.014552
"1047222"	170.130126	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H"	2.014552
"209655"	226.504409333333	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H"	3.021828
"653591"	339.252976	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+3H"	3.021828
"1174996"	113.755842666667	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+3H"	3.021828
"428065"	694.525223	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+NH4"	18.033823
"791611"	1032.770923	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+NH4"	18.033823
"1686118"	356.279523	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4"	18.033823
"338408"	347.7662495	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+NH4"	19.041099
"726089"	516.8890995	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+NH4"	19.041099
"1481002"	178.6433995	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+NH4"	19.041099
"397863"	699.480618	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na"	22.989218
"761044"	1037.726318	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na"	22.989218
"1610235"	361.234918	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na"	22.989218
"324644"	350.243947	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+Na"	23.996494
"715976"	519.366797	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+Na"	23.996494
"1471981"	181.121097	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+Na"	23.996494
"1063040"	121.083156666667	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2H+Na"	25.00377
"1264718"	371.279186	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+CH3OH+H"	33.033486
"384384"	715.454558	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+K"	38.963158
"744289"	1053.700258	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+K"	38.963158
"1544157"	377.208858	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+K"	38.963158
"302426"	358.230917	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+H+K"	39.970434
"693758"	527.353767	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+H+K"	39.970434
"1445999"	189.108067	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+K"	39.970434
"237277"	718.525226	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+H"	42.033826
"1214361"	380.279526	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+H"	42.033826
"1197151"	190.643401	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+2H"	43.041102
"194396"	721.46256	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na-H"	44.97116
"635049"	1059.70826	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na-H"	44.97116
"1140739"	383.21686	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na-H"	44.97116
"184026"	361.234918	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2Na"	45.978436
"624681"	530.357768	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2Na"	45.978436
"1128188"	192.112068	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2Na"	45.978436
"1413538"	128.410470666667	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+2Na"	46.985712
"1443465"	385.258446	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+HCOOH"	47.012746
"233525"	366.26794	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+3H2O+2H"	56.04448
"1522680"	399.31049	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+H"	61.06479
"422365"	369.221888	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+Na+K"	61.952376
"782266"	538.344738	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+Na+K"	61.952376
"1676410"	200.099038	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+K"	61.952376
"264750"	740.507168	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+ACN+Na"	64.015768
"1235636"	402.261468	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+ACN+Na"	64.015768
"1724900"	402.284993	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+HCOOH"	64.039293
"1194050"	135.737784666667	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+3Na"	68.967654
"1665374"	407.240388	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+HCOOH"	68.994688
"164461"	753.41044	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K-H"	76.91904
"610581"	1091.65614	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K-H"	76.91904
"1099105"	415.16474	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K-H"	76.91904
"156043"	377.208858	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"2M+2K"	77.926316
"594752"	546.331708	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"3M+2K"	77.926316
"1081452"	208.086008	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K"	77.926316
"1112475"	417.179292	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2K+H"	78.933592
"1348860"	417.266907	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+DMSO+H"	79.021207
"1017390"	421.306076	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+H"	83.060376
"1528957"	422.299708	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+IsoProp+Na+H"	84.054008
"993221"	211.156676	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+2ACN+2H"	84.067652
"1588816"	423.214328	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+HCOOH"	84.968628
"1419945"	453.245838	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+H+CF3COOH"	115.000138
"1151327"	231.669951	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+3ACN+2H"	125.094202
"1701973"	470.272385	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+NH4+CF3COOH"	132.026685
"1643094"	475.22778	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+Na+CF3COOH"	136.98208
"1577651"	491.20172	"C14775"	"1415-DHET;(5Z8Z11Z)-1415-Dihydroxyeicosa-5811-trienoic acid;(5Z8Z11Z)-1415-Dihydroxyicosa-5811-trienoic acid"	"C20H34O4"	"338.2457"	"M+K+CF3COOH"	152.95602
"816993"	320.2351	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"987020"	301.21671	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"73077"	212.482790666667	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"509355"	319.227824	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"884969"	105.737757333333	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"4643"	319.227824	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"443109"	479.345374	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"822003"	159.110274	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"80901"	639.462924	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"522644"	959.698024	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"901539"	319.227824	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"49352"	656.489471	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"490007"	976.724571	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"864774"	336.254371	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"35714"	661.444866	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"477466"	981.679966	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"858186"	341.209766	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1631002"	341.209766	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"105343"	337.216163	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"545269"	497.333713	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"934409"	177.098613	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"274059"	675.439602	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"660645"	995.674702	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1279980"	355.204502	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"24724"	677.418806	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"464286"	997.653906	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"837712"	357.183706	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1560106"	357.183706	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"944340"	365.233294	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"363288"	685.468401	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"350088"	699.484051	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1493122"	379.248951	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"959532"	387.215251	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"114274"	355.204502	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"555292"	515.322052	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1025189"	195.086952	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1243304"	399.153985	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1307577"	401.209972	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1321065"	423.191929	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"913946"	433.220686	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1290659"	469.197364	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1369545"	285.222424	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1395434"	303.2324	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"289658"	641.477476	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"685360"	961.712576	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1363897"	321.242376	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"134600"	321.242376	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"579627"	481.359926	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1046242"	161.124826	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"208676"	214.497342666667	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"649330"	321.242376	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1175838"	107.752309333333	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"426719"	658.504023	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"789900"	978.739123	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1688053"	338.268923	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"338519"	329.7556495	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"729847"	489.8731995	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1484758"	169.6380995	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"399067"	663.459418	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"761155"	983.694518	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1610348"	343.224318	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"321479"	332.233347	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"712806"	492.350897	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1466260"	172.115797	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1063152"	115.079623333333	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1265924"	353.268586	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"384500"	679.433358	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"747682"	999.668458	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1547549"	359.198258	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"311285"	340.220317	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"693870"	500.337867	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1454253"	180.102767	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"247596"	682.504026	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1219574"	362.268926	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1204916"	181.638101	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"199974"	685.44136	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"635161"	1005.67646	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1142675"	365.20626	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"184141"	343.224318	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"625887"	503.341868	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1126114"	183.106768	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1411457"	122.406937333333	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1437379"	367.247846	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"229263"	348.25734	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1520604"	381.29989	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"422477"	351.211288	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"781286"	511.328838	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1675430"	191.093738	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"263767"	704.485968	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1237937"	384.250868	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1720274"	384.274393	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1188909"	129.734251333333	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1660986"	389.229788	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"164569"	717.38924	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"605226"	1037.62434	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1098121"	397.15414	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"156275"	359.198258	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590490"	519.315808	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1072816"	199.080708	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1113678"	399.168692	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1347878"	399.256307	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1018595"	403.295476	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1526881"	404.289108	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"990654"	202.151376	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1588926"	405.203728	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1414707"	435.235238	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1152531"	222.664651	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1702083"	452.261785	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1639923"	457.21718	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1573386"	473.19112	"C14776"	"8(S)-HETE;(5Z9E11Z14Z)-(8S)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"802661"	320.2351	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"986037"	301.21671	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"73187"	212.482790666667	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"505092"	319.227824	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"887265"	105.737757333333	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"9126"	319.227824	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"447591"	479.345374	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"818101"	159.110274	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"79304"	639.462924	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"518904"	959.698024	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"897397"	319.227824	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"47268"	656.489471	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"487237"	976.724571	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"864552"	336.254371	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"31809"	661.444866	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"472106"	981.679966	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"851000"	341.209766	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1626003"	341.209766	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"100344"	337.216163	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"540998"	497.333713	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"933419"	177.098613	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"271249"	675.439602	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"660263"	995.674702	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1278997"	355.204502	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"22649"	677.418806	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"461116"	997.653906	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"837822"	357.183706	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1559123"	357.183706	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"943721"	365.233294	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"364129"	685.468401	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"351292"	699.484051	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1493922"	379.248951	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"958910"	387.215251	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"115479"	355.204502	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"557225"	515.322052	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1025295"	195.086952	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1244143"	399.153985	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1309509"	401.209972	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1322268"	423.191929	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"914054"	433.220686	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1291133"	469.197364	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1369290"	285.222424	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1387889"	303.2324	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"295234"	641.477476	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"686565"	961.712576	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1361819"	321.242376	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"136532"	321.242376	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"580711"	481.359926	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1048538"	161.124826	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"216439"	214.497342666667	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"655999"	321.242376	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1174125"	107.752309333333	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"431931"	658.504023	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"790738"	978.739123	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1687070"	338.268923	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"333161"	329.7556495	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"727040"	489.8731995	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1481223"	169.6380995	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"398084"	663.459418	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"760172"	983.694518	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1609364"	343.224318	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"321589"	332.233347	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"714008"	492.350897	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1464548"	172.115797	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1062169"	115.079623333333	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1266035"	353.268586	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"383517"	679.433358	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"744512"	999.668458	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1549846"	359.198258	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"310302"	340.220317	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"699448"	500.337867	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1452176"	180.102767	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"246977"	682.504026	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1218955"	362.268926	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1202838"	181.638101	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"200084"	685.44136	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"635271"	1005.67646	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1142786"	365.20626	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"183159"	343.224318	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"624907"	503.341868	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1127681"	183.106768	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1410477"	122.406937333333	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1436396"	367.247846	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"228280"	348.25734	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1522538"	381.29989	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"421132"	351.211288	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"783949"	511.328838	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1674812"	191.093738	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"263148"	704.485968	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1236955"	384.250868	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1718196"	384.274393	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1187924"	129.734251333333	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1664986"	389.229788	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"164678"	717.38924	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"609710"	1037.62434	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1094221"	397.15414	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"153955"	359.198258	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590600"	519.315808	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1079488"	199.080708	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1110508"	399.168692	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1345802"	399.256307	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1017612"	403.295476	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1532458"	404.289108	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"991373"	202.151376	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1590129"	405.203728	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1415911"	435.235238	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1155921"	222.664651	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1702193"	452.261785	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1640033"	457.21718	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1572402"	473.19112	"C14777"	"12(S)-HETE;(5Z8Z10E14Z)-(12S)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12S)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"802406"	320.2351	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"981772"	301.21671	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"73297"	212.482790666667	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"505202"	319.227824	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"886281"	105.737757333333	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"9236"	319.227824	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"444421"	479.345374	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"820034"	159.110274	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"82211"	639.462924	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"522865"	959.698024	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"902852"	319.227824	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"48845"	656.489471	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"492415"	976.724571	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"868030"	336.254371	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"38117"	661.444866	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"473310"	981.679966	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"854390"	341.209766	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1628300"	341.209766	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"103736"	337.216163	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"543295"	497.333713	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"936810"	177.098613	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"276462"	675.439602	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"669250"	995.674702	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1278742"	355.204502	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"22759"	677.418806	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"461226"	997.653906	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"837203"	357.183706	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1560325"	357.183706	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"947841"	365.233294	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"369707"	685.468401	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"355049"	699.484051	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1500233"	379.248951	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"968869"	387.215251	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"122152"	355.204502	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"560617"	515.322052	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1033063"	195.086952	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1252275"	399.153985	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1316911"	401.209972	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1327117"	423.191929	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"914165"	433.220686	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1293431"	469.197364	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1370128"	285.222424	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1396504"	303.2324	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"296437"	641.477476	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"686675"	961.712576	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1364116"	321.242376	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"137006"	321.242376	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"580576"	481.359926	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1048648"	161.124826	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"214362"	214.497342666667	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"656840"	321.242376	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1175328"	107.752309333333	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"430947"	658.504023	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"788658"	978.739123	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1685355"	338.268923	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"334364"	329.7556495	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"731160"	489.8731995	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1482426"	169.6380995	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"400381"	663.459418	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"759190"	983.694518	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1605828"	343.224318	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"319512"	332.233347	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"714120"	492.350897	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1466847"	172.115797	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1056812"	115.079623333333	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1262864"	353.268586	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"385816"	679.433358	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"747903"	999.668458	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1548864"	359.198258	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"308226"	340.220317	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"697371"	500.337867	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1454473"	180.102767	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"247817"	682.504026	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1217971"	362.268926	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1201855"	181.638101	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"200192"	685.44136	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"638660"	1005.67646	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1143259"	365.20626	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"186186"	343.224318	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"624653"	503.341868	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1127065"	183.106768	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1412045"	122.406937333333	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1442703"	367.247846	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"230941"	348.25734	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1523014"	381.29989	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"421606"	351.211288	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"785238"	511.328838	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1677839"	191.093738	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"259616"	704.485968	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1233785"	384.250868	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1726329"	384.274393	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1192416"	129.734251333333	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1663647"	389.229788	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"170256"	717.38924	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"607635"	1037.62434	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1095430"	397.15414	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"152609"	359.198258	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590711"	519.315808	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1073038"	199.080708	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1107341"	399.168692	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1342634"	399.256307	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1016267"	403.295476	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1535121"	404.289108	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"995737"	202.151376	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1595706"	405.203728	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1419179"	435.235238	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1150927"	222.664651	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1700116"	452.261785	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1637955"	457.21718	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1572148"	473.19112	"C14778"	"16(R)-HETE;(5Z8Z11Z14Z)-(16R)-16-Hydroxyeicosa-581114-tetraenoic acid;(5Z8Z11Z14Z)-(16R)-16-Hydroxyicosa-581114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"808348"	320.2351	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"987349"	301.21671	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"78504"	212.482790666667	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"515154"	319.227824	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"883113"	105.737757333333	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"15178"	319.227824	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"445624"	479.345374	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"821237"	159.110274	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"82321"	639.462924	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"522974"	959.698024	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"902962"	319.227824	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"52964"	656.489471	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"490340"	976.724571	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"867169"	336.254371	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"38227"	661.444866	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"473420"	981.679966	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"853407"	341.209766	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1627317"	341.209766	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"103846"	337.216163	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"541219"	497.333713	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"934734"	177.098613	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"275478"	675.439602	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"670090"	995.674702	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1279217"	355.204502	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"23962"	677.418806	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"461336"	997.653906	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"836948"	357.183706	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1560071"	357.183706	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"947226"	365.233294	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"374556"	685.468401	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"358075"	699.484051	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1499250"	379.248951	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"966793"	387.215251	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"121169"	355.204502	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"557448"	515.322052	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1031714"	195.086952	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1253479"	399.153985	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1309000"	401.209972	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1323218"	423.191929	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"915736"	433.220686	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1292812"	469.197364	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1370604"	285.222424	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1396856"	303.2324	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"294361"	641.477476	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"688608"	961.712576	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1365324"	321.242376	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"139669"	321.242376	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"580689"	481.359926	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1047665"	161.124826	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"213379"	214.497342666667	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"652939"	321.242376	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1171065"	107.752309333333	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"428141"	658.504023	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"790592"	978.739123	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1689476"	338.268923	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"339578"	329.7556495	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"730177"	489.8731995	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1489100"	169.6380995	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"400489"	663.459418	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"759298"	983.694518	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1607397"	343.224318	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"321811"	332.233347	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"710951"	492.350897	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1465865"	172.115797	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1056924"	115.079623333333	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1261882"	353.268586	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"385927"	679.433358	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"751661"	999.668458	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1554443"	359.198258	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"310524"	340.220317	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"697481"	500.337867	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1458959"	180.102767	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"248290"	682.504026	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1223550"	362.268926	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1205976"	181.638101	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"202492"	685.44136	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"643390"	1005.67646	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1146046"	365.20626	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"187394"	343.224318	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"625859"	503.341868	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1128634"	183.106768	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1413456"	122.406937333333	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1444274"	367.247846	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"233604"	348.25734	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1523857"	381.29989	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"423622"	351.211288	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"784778"	511.328838	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1680992"	191.093738	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"262643"	704.485968	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1237175"	384.250868	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1726440"	384.274393	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1192893"	129.734251333333	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1663999"	389.229788	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"170366"	717.38924	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"610298"	1037.62434	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1098091"	397.15414	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"154538"	359.198258	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"593009"	519.315808	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1081529"	199.080708	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1113280"	399.168692	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1346020"	399.256307	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1016736"	403.295476	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1534863"	404.289108	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1001314"	202.151376	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1593628"	405.203728	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1421478"	435.235238	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1151767"	222.664651	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1701319"	452.261785	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1635876"	457.21718	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1572257"	473.19112	"C14779"	"9(S)-HETE;(5Z7E11Z14Z)-(9S)-9-Hydroxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroxyicosa-571114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"805178"	320.2351	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"984179"	301.21671	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"78565"	212.482790666667	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"515264"	319.227824	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"886503"	105.737757333333	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"10549"	319.227824	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"444641"	479.345374	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"820254"	159.110274	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"82432"	639.462924	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"521994"	959.698024	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"901979"	319.227824	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"53075"	656.489471	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"491543"	976.724571	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"868253"	336.254371	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"38341"	661.444866	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"482279"	981.679966	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"856800"	341.209766	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1632895"	341.209766	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"107236"	337.216163	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"544609"	497.333713	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"939948"	177.098613	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"277775"	675.439602	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"669106"	995.674702	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1279326"	355.204502	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"26258"	677.418806	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"465820"	997.653906	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"842528"	357.183706	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1566015"	357.183706	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"952804"	365.233294	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"369927"	685.468401	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"359644"	699.484051	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1501914"	379.248951	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"969091"	387.215251	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"117998"	355.204502	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"560110"	515.322052	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1028544"	195.086952	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1248122"	399.153985	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1318469"	401.209972	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1325879"	423.191929	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"916938"	433.220686	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1292553"	469.197364	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1368162"	285.222424	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1397453"	303.2324	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"297024"	641.477476	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"686896"	961.712576	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1366406"	321.242376	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"140876"	321.242376	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"580068"	481.359926	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1047776"	161.124826	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"213489"	214.497342666667	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"657059"	321.242376	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1172270"	107.752309333333	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"429708"	658.504023	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"796537"	978.739123	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1692139"	338.268923	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"340783"	329.7556495	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"734297"	489.8731995	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1488481"	169.6380995	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"403881"	663.459418	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"761594"	983.694518	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1607505"	343.224318	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"319734"	332.233347	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"712154"	492.350897	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1465978"	172.115797	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1058129"	115.079623333333	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1259077"	353.268586	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"392234"	679.433358	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"750678"	999.668458	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1550178"	359.198258	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"311728"	340.220317	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"700872"	500.337867	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1456880"	180.102767	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"249129"	682.504026	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1221472"	362.268926	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1206086"	181.638101	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"203090"	685.44136	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"640339"	1005.67646	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1144210"	365.20626	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"181305"	343.224318	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"625238"	503.341868	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1124369"	183.106768	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1413973"	122.406937333333	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1442924"	367.247846	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"234443"	348.25734	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1523480"	381.29989	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"424211"	351.211288	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"784888"	511.328838	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1680855"	191.093738	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"264943"	704.485968	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1239474"	384.250868	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1726675"	384.274393	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1193488"	129.734251333333	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1664716"	389.229788	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"172302"	717.38924	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"610777"	1037.62434	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1098929"	397.15414	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"155744"	359.198258	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"593118"	519.315808	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1081639"	199.080708	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1110113"	399.168692	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1346499"	399.256307	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1018309"	403.295476	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1533881"	404.289108	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"998144"	202.151376	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1593737"	405.203728	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1421588"	435.235238	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1151876"	222.664651	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1699606"	452.261785	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1635986"	457.21718	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1572730"	473.19112	"C14780"	"11(R)-HETE;(5Z8Z12E14Z)-(11R)-Hydroxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroxyicosa-581214-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"805288"	336.2301	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M"	0
"985382"	317.21171	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"76544"	223.146124	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"513187"	335.222824	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"886613"	111.069424	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"10659"	335.222824	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"444751"	503.337874	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"819271"	167.107774	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"80477"	671.452924	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"523197"	1007.683024	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"898809"	335.222824	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"50999"	688.479471	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"493839"	1024.709571	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"867268"	352.249371	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"38451"	693.434866	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"484212"	1029.664966	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"856910"	357.204766	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1632036"	357.204766	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"105160"	353.211163	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"547637"	521.326213	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"940423"	185.096113	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"280802"	707.429602	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"672496"	1043.659702	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1283810"	371.199502	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"26368"	709.408806	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"465930"	1045.638906	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"843731"	373.178706	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1566125"	373.178706	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"954008"	381.228294	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"370037"	717.458401	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"355745"	731.474051	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1502754"	395.243951	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"967744"	403.210251	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"113734"	371.199502	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"562042"	539.314552	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1025373"	203.084452	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1244952"	415.148985	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1310681"	417.204972	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1322343"	439.186929	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"918141"	449.215686	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1290839"	485.192364	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1370828"	301.217424	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1397199"	319.2274	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"297498"	673.467476	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"687735"	1009.697576	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1365545"	337.237376	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"138800"	337.237376	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"580300"	505.352426	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1047886"	169.122326	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"217246"	225.160676	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"655349"	337.237376	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1171287"	113.083976	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"428361"	690.494023	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"796647"	1026.724123	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1691884"	354.263923	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"341987"	345.7506495	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"732585"	513.8656995	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1488591"	177.6355995	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"401802"	695.449418	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"759519"	1031.679518	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1606523"	359.219318	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"318750"	348.228347	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"710077"	516.343397	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1462927"	180.113297	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1058237"	120.41129	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1263195"	369.263586	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"390520"	711.423358	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"748236"	1047.653458	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1548100"	375.193258	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"309650"	356.215317	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"702076"	524.330367	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1459542"	188.100267	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"249604"	714.494026	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1223405"	378.263926	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1206560"	189.635601	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"202837"	717.43136	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"643246"	1053.66146	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1144321"	381.20126	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"187735"	359.219318	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"626079"	527.334368	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1125573"	191.104268	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1412743"	127.738604	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1443034"	383.242846	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"235283"	364.25234	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1521159"	397.29489	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"421937"	367.206288	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"781839"	535.321338	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1679870"	199.091238	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"262865"	736.475968	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1237397"	400.245868	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1728408"	400.269393	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1194131"	135.065918	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1665276"	405.224788	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"171927"	749.37924	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"611612"	1085.60934	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1097217"	413.14914	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"155490"	375.193258	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"593595"	543.308308	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1079201"	207.078208	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1114964"	415.163692	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1347702"	415.251307	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1018419"	419.290476	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1532898"	420.284108	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"998251"	210.148876	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1593847"	421.198728	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1418416"	451.230238	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1151986"	230.662151	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1699352"	468.256785	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1636096"	473.21218	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1572842"	489.18612	"C14781"	"15H-1112-EETA;15-Hydroxy-1112-epoxyeicosatrienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyeicosa-5813-trienoic acid;(5Z8Z13E)-(15S)-1112-Epoxy-15-hydroxyicosa-5813-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"811959"	354.2406	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M"	0
"987680"	335.22221	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"77871"	235.153124	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"517672"	353.233324	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"894381"	117.072924	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"10769"	353.233324	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"448142"	530.353624	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"825943"	176.113024	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"88122"	707.473924	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"527683"	1061.714524	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"903293"	353.233324	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"53294"	724.500471	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"492857"	1078.741071	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"870658"	370.259871	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"40749"	729.455866	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"482499"	1083.696466	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"857020"	375.215266	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1633850"	375.215266	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"107702"	371.221663	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"546289"	548.341963	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"941751"	194.101363	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"281644"	743.450602	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"672607"	1097.691202	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1286103"	389.210002	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"18455"	745.429806	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"457651"	1099.670406	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"835090"	391.189206	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1560765"	391.189206	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"946463"	399.238794	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"369051"	753.479401	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"348560"	767.495051	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1498488"	413.254451	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"961655"	421.220751	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"113842"	389.210002	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"554496"	566.330302	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1025482"	212.089702	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1247248"	433.159485	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1312978"	435.215472	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1320997"	457.197429	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"912782"	467.226186	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1292774"	503.202864	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1368751"	319.227924	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1391718"	337.2379	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"296883"	709.488476	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"690276"	1063.729076	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1364563"	355.247876	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"140852"	355.247876	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"579201"	532.368176	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1049456"	178.127576	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"216265"	237.167676	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"657643"	355.247876	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1172491"	119.087476	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"431749"	726.515023	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"794571"	1080.755623	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1688712"	372.274423	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"338088"	363.7611495	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"735974"	540.8814495	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1487607"	186.6408495	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"400821"	731.470418	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"759627"	1085.711018	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1606635"	377.229818	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"321045"	366.238847	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"711282"	543.359147	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1465103"	189.118547	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1055067"	126.41479	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1262213"	387.274086	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"389538"	747.444358	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"751262"	1101.684958	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1552586"	393.203758	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"313413"	374.225817	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"705468"	551.346117	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1457100"	197.105517	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"249349"	750.515026	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1221692"	396.274426	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1202297"	198.640851	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"198448"	753.45236	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"641897"	1107.69296	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1142243"	399.21176	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"183712"	377.229818	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"622179"	554.350118	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1130671"	200.109518	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1413834"	133.742104	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1445341"	401.253346	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"235274"	382.26284	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1523461"	415.30539	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"423750"	385.216788	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"784990"	562.337088	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1680348"	208.096488	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"265527"	772.496968	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1240182"	418.256368	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1727501"	418.279893	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1192857"	141.069418	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1664937"	423.235288	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"171433"	785.40024	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"610632"	1139.64084	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1095868"	431.15964	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"153781"	393.203758	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"594434"	570.324058	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1078583"	216.083458	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1112520"	433.174192	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1348177"	433.261807	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1017435"	437.300976	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1537747"	438.294608	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"996177"	219.154126	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1595051"	439.209228	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1419620"	469.240738	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1152096"	239.667401	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1699462"	486.267285	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1637666"	491.22268	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1575141"	507.19662	"C14782"	"111215-THETA;111215-Trihydroxyicosatrienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z13E)-(15S)-111215-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"813163"	158.0368	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M"	0
"987790"	139.01841	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H2O-H"	-19.01839
"77130"	104.350590666667	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-3H"	-3.021828
"514502"	157.029524	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-3H"	-3.021828
"894491"	51.6716573333333	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-3H"	-3.021828
"7599"	157.029524	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H"	-2.014552
"451533"	236.047924	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H"	-2.014552
"829334"	78.011124	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H"	-2.014552
"91151"	315.066324	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-H"	-1.007276
"531802"	473.103124	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-H"	-1.007276
"902313"	157.029524	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H"	-1.007276
"52312"	332.092871	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H+NH4"	16.019271
"492968"	490.129671	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H+NH4"	16.019271
"874049"	174.056071	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H+NH4"	16.019271
"38671"	337.048266	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H+Na"	20.974666
"476047"	495.085066	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H+Na"	20.974666
"858951"	179.011466	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H+Na"	20.974666
"1632131"	179.011466	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na-2H"	20.974666
"102099"	175.017863	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-H+Cl"	33.962126
"546763"	254.036263	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-H+Cl"	33.962126
"941377"	95.999463	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+Cl"	33.962126
"277012"	351.043002	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Cl"	34.969402
"669437"	509.079802	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+Cl"	34.969402
"1286213"	193.006202	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl"	34.969402
"22212"	353.022206	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M-2H+K"	36.948606
"458854"	511.059006	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M-2H+K"	36.948606
"835201"	194.985406	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-2H+K"	36.948606
"1560877"	194.985406	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K-2H"	36.948606
"945481"	203.034994	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+HCOOH"	44.998194
"369163"	361.071801	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+HCOOH-H"	44.998201
"350856"	375.087451	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Hac-H"	59.013851
"1499693"	217.050651	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Hac-H"	59.013851
"966140"	225.016951	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+NaCOOH"	66.980151
"118327"	193.006202	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2Cl"	69.938804
"560075"	272.024602	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2Cl"	69.938804
"1027780"	113.987802	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2Cl"	69.938804
"1244443"	236.955685	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Br"	78.918885
"1308716"	239.011672	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl+HCOOH"	80.974872
"1323657"	260.993629	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl+NaCOOH"	102.956829
"915081"	271.022386	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M-H+CF3COOH"	112.985586
"1289601"	306.999064	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Cl+CF3COOH"	148.962264
"1368861"	123.024124	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H-2H2O"	-35.012676
"1387082"	141.0341	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H-H2O"	-17.0027
"295536"	317.080876	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H"	1.007276
"690142"	475.117676	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H"	1.007276
"1364667"	159.044076	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H"	1.007276
"140108"	159.044076	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2H"	2.014552
"580887"	238.062476	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2H"	2.014552
"1048106"	80.025676	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2H"	2.014552
"216007"	106.365142666667	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+3H"	3.021828
"655208"	159.044076	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+3H"	3.021828
"1174789"	53.6862093333333	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+3H"	3.021828
"432953"	334.107423	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+NH4"	18.033823
"794680"	492.144223	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+NH4"	18.033823
"1691011"	176.070623	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+NH4"	18.033823
"342573"	167.5573495	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H+NH4"	19.041099
"733900"	246.5757495	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H+NH4"	19.041099
"1486625"	88.5389495	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+NH4"	19.041099
"398744"	339.062818	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Na"	22.989218
"758649"	497.099618	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+Na"	22.989218
"1608932"	181.026018	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na"	22.989218
"322249"	170.035047	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H+Na"	23.996494
"715766"	249.053447	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H+Na"	23.996494
"1467400"	91.016647	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+Na"	23.996494
"1059551"	61.0135233333333	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2H+Na"	25.00377
"1263417"	191.070286	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+CH3OH+H"	33.033486
"390378"	355.036758	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+K"	38.963158
"750643"	513.073558	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+K"	38.963158
"1553427"	196.999958	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K"	38.963158
"313161"	178.022017	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+H+K"	39.970434
"704849"	257.040417	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+H+K"	39.970434
"1460128"	99.003617	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+K"	39.970434
"250189"	358.107426	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+ACN+H"	42.033826
"1224598"	200.070626	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+ACN+H"	42.033826
"1202407"	100.538951	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+ACN+2H"	43.041102
"202447"	361.04476	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2Na-H"	44.97116
"640671"	519.08156	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2Na-H"	44.97116
"1143448"	203.00796	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2Na-H"	44.97116
"178356"	181.026018	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2Na"	45.978436
"627521"	260.044418	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2Na"	45.978436
"1130054"	102.007618	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2Na"	45.978436
"1413944"	68.3408373333333	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+2Na"	46.985712
"1444230"	205.049546	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+HCOOH"	47.012746
"234168"	186.05904	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+3H2O+2H"	56.04448
"1522845"	219.10159	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+IsoProp+H"	61.06479
"422159"	189.012988	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+Na+K"	61.952376
"785350"	268.031388	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+Na+K"	61.952376
"1680462"	109.994588	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na+K"	61.952376
"266612"	380.089368	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+ACN+Na"	64.015768
"1241021"	222.052568	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+ACN+Na"	64.015768
"1727248"	222.076093	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+NH4+HCOOH"	64.039293
"1192847"	75.6681513333333	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+3Na"	68.967654
"1664076"	227.031488	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na+HCOOH"	68.994688
"171547"	392.99264	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2K-H"	76.91904
"610741"	551.02944	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2K-H"	76.91904
"1098166"	234.95584	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2K-H"	76.91904
"154253"	196.999958	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"2M+2K"	77.926316
"593448"	276.018358	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"3M+2K"	77.926316
"1078693"	117.981558	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2K"	77.926316
"1112265"	236.970392	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2K+H"	78.933592
"1349015"	237.058007	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+DMSO+H"	79.021207
"1019367"	241.097176	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2ACN+H"	83.060376
"1537856"	242.090808	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+IsoProp+Na+H"	84.054008
"999564"	121.052226	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+2ACN+2H"	84.067652
"1600995"	243.005428	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K+HCOOH"	84.968628
"1427381"	273.036938	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+H+CF3COOH"	115.000138
"1150016"	141.565501	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+3ACN+2H"	125.094202
"1699572"	290.063485	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+NH4+CF3COOH"	132.026685
"1637776"	295.01888	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+Na+CF3COOH"	136.98208
"1575250"	310.99282	"C14783"	"12-Naphthoquinone;12-Naphthalenedione"	"C10H6O2"	"158.0368"	"M+K+CF3COOH"	152.95602
"811086"	178.063	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M"	0
"988993"	159.04461	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-H2O-H"	-19.01839
"76146"	117.701390666667	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M-3H"	-3.021828
"517772"	177.055724	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M-3H"	-3.021828
"892048"	58.3470573333333	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-3H"	-3.021828
"7709"	177.055724	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M-2H"	-2.014552
"451643"	266.087224	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M-2H"	-2.014552
"825069"	88.024224	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-2H"	-2.014552
"88342"	355.118724	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M-H"	-1.007276
"530091"	533.181724	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M-H"	-1.007276
"902422"	177.055724	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-H"	-1.007276
"56799"	372.145271	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M-2H+NH4"	16.019271
"493078"	550.208271	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M-2H+NH4"	16.019271
"869786"	194.082271	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-2H+NH4"	16.019271
"38784"	377.100666	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M-2H+Na"	20.974666
"475063"	555.163666	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M-2H+Na"	20.974666
"859061"	199.037666	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-2H+Na"	20.974666
"1632241"	199.037666	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Na-2H"	20.974666
"105491"	195.044063	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M-H+Cl"	33.962126
"549064"	284.075563	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M-H+Cl"	33.962126
"941726"	106.012563	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-H+Cl"	33.962126
"280404"	391.095402	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+Cl"	34.969402
"670640"	569.158402	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+Cl"	34.969402
"1286323"	213.032402	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Cl"	34.969402
"22322"	393.074606	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M-2H+K"	36.948606
"458234"	571.137606	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M-2H+K"	36.948606
"834945"	215.011606	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-2H+K"	36.948606
"1560987"	215.011606	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+K-2H"	36.948606
"947777"	223.061194	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-H+HCOOH"	44.998194
"370367"	401.124201	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+HCOOH-H"	44.998201
"354250"	415.139851	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+Hac-H"	59.013851
"1498708"	237.076851	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Hac-H"	59.013851
"965158"	245.043151	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-H+NaCOOH"	66.980151
"119531"	213.032402	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+2Cl"	69.938804
"562008"	302.063902	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+2Cl"	69.938804
"1028983"	124.000902	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2Cl"	69.938804
"1247469"	256.981885	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Br"	78.918885
"1312105"	259.037872	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Cl+HCOOH"	80.974872
"1322310"	281.019829	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Cl+NaCOOH"	102.956829
"918471"	291.048586	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M-H+CF3COOH"	112.985586
"1288695"	327.025264	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Cl+CF3COOH"	148.962264
"1368235"	143.050324	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H-2H2O"	-35.012676
"1386097"	161.0603	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H-H2O"	-17.0027
"288339"	357.133276	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+H"	1.007276
"687337"	535.196276	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+H"	1.007276
"1358217"	179.070276	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H"	1.007276
"139489"	179.070276	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+2H"	2.014552
"576135"	268.101776	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+2H"	2.014552
"1050402"	90.038776	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2H"	2.014552
"209191"	119.715942666667	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+3H"	3.021828
"653492"	179.070276	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+3H"	3.021828
"1177085"	60.3616093333333	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+3H"	3.021828
"430147"	374.159823	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+NH4"	18.033823
"788226"	552.222823	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+NH4"	18.033823
"1687475"	196.096823	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+NH4"	18.033823
"338307"	187.5835495	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+H+NH4"	19.041099
"730727"	276.6150495	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+H+NH4"	19.041099
"1486735"	98.5520495	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H+NH4"	19.041099
"397030"	379.115218	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+Na"	22.989218
"760947"	557.178218	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+Na"	22.989218
"1605758"	201.052218	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Na"	22.989218
"317256"	190.061247	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+H+Na"	23.996494
"714782"	279.092747	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+H+Na"	23.996494
"1468604"	101.029747	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H+Na"	23.996494
"1060758"	67.6889233333333	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2H+Na"	25.00377
"1268998"	211.096486	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+CH3OH+H"	33.033486
"388670"	395.089158	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+K"	38.963158
"749300"	573.152158	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+K"	38.963158
"1548437"	217.026158	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+K"	38.963158
"310352"	198.048217	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+H+K"	39.970434
"694023"	287.079717	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+H+K"	39.970434
"1448575"	109.016717	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H+K"	39.970434
"241550"	398.159826	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+ACN+H"	42.033826
"1215353"	220.096826	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+ACN+H"	42.033826
"1200328"	110.552051	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+ACN+2H"	43.041102
"197575"	401.09716	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+2Na-H"	44.97116
"641873"	579.16016	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+2Na-H"	44.97116
"1139549"	223.03416	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2Na-H"	44.97116
"178465"	201.052218	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+2Na"	45.978436
"616203"	290.083718	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+2Na"	45.978436
"1128455"	112.020718	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2Na"	45.978436
"1413440"	75.0162373333333	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H+2Na"	46.985712
"1444711"	225.075746	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H+HCOOH"	47.012746
"233790"	206.08524	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+3H2O+2H"	56.04448
"1522829"	239.12779	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+IsoProp+H"	61.06479
"423732"	209.039188	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+Na+K"	61.952376
"783265"	298.070688	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+Na+K"	61.952376
"1679230"	120.007688	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Na+K"	61.952376
"263561"	420.141768	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+ACN+Na"	64.015768
"1238091"	242.078768	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+ACN+Na"	64.015768
"1727723"	242.102293	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+NH4+HCOOH"	64.039293
"1192710"	82.3435513333333	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+3Na"	68.967654
"1664551"	247.057688	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Na+HCOOH"	68.994688
"171291"	433.04504	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+2K-H"	76.91904
"611458"	611.10804	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+2K-H"	76.91904
"1097915"	254.98204	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2K-H"	76.91904
"153635"	217.026158	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"2M+2K"	77.926316
"593560"	306.057658	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"3M+2K"	77.926316
"1078802"	127.994658	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2K"	77.926316
"1106909"	256.996592	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2K+H"	78.933592
"1345482"	257.084207	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+DMSO+H"	79.021207
"1015105"	261.123376	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2ACN+H"	83.060376
"1535052"	262.117008	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+IsoProp+Na+H"	84.054008
"995301"	131.065326	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+2ACN+2H"	84.067652
"1594178"	263.031628	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+K+HCOOH"	84.968628
"1419836"	293.063138	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+H+CF3COOH"	115.000138
"1152315"	151.578601	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+3ACN+2H"	125.094202
"1698953"	310.089685	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+NH4+CF3COOH"	132.026685
"1645176"	315.04508	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+Na+CF3COOH"	136.98208
"1575360"	331.01902	"C14784"	"12-Dihydroxy-34-epoxy-1234-tetrahydronaphthalene"	"C10H10O3"	"178.063"	"M+K+CF3COOH"	152.95602
"811196"	160.0524	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M"	0
"982542"	141.03401	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-H2O-H"	-19.01839
"75162"	105.694324	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M-3H"	-3.021828
"514721"	159.045124	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M-3H"	-3.021828
"890336"	52.343524	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-3H"	-3.021828
"4538"	159.045124	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M-2H"	-2.014552
"448472"	239.071324	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M-2H"	-2.014552
"829191"	79.018924	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-2H"	-2.014552
"88451"	319.097524	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M-H"	-1.007276
"525824"	479.149924	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M-H"	-1.007276
"901439"	159.045124	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-H"	-1.007276
"56909"	336.124071	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M-2H+NH4"	16.019271
"493188"	496.176471	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M-2H+NH4"	16.019271
"869896"	176.071671	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-2H+NH4"	16.019271
"39987"	341.079466	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M-2H+Na"	20.974666
"475173"	501.131866	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M-2H+Na"	20.974666
"857348"	181.027066	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-2H+Na"	20.974666
"1627976"	181.027066	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Na-2H"	20.974666
"101226"	177.033463	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M-H+Cl"	33.962126
"545161"	257.059663	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M-H+Cl"	33.962126
"937583"	97.007263	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-H+Cl"	33.962126
"281486"	355.074202	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+Cl"	34.969402
"669656"	515.126602	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+Cl"	34.969402
"1285339"	195.021802	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Cl"	34.969402
"20245"	357.053406	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M-2H+K"	36.948606
"460901"	517.105806	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M-2H+K"	36.948606
"834689"	197.001006	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-2H+K"	36.948606
"1561096"	197.001006	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+K-2H"	36.948606
"946793"	205.050594	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-H+HCOOH"	44.998194
"367195"	365.103001	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+HCOOH-H"	44.998201
"352174"	379.118651	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+Hac-H"	59.013851
"1496632"	219.066251	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Hac-H"	59.013851
"961986"	227.032551	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-H+NaCOOH"	66.980151
"117454"	195.021802	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+2Cl"	69.938804
"553000"	275.048002	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+2Cl"	69.938804
"1023627"	114.995602	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2Cl"	69.938804
"1244299"	238.971285	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Br"	78.918885
"1308934"	241.027272	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Cl+HCOOH"	80.974872
"1322782"	263.009229	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Cl+NaCOOH"	102.956829
"913115"	273.037986	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M-H+CF3COOH"	112.985586
"1288967"	309.014664	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Cl+CF3COOH"	148.962264
"1367977"	125.039724	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H-2H2O"	-35.012676
"1384383"	143.0497	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H-H2O"	-17.0027
"284801"	321.112076	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+H"	1.007276
"688534"	481.164476	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+H"	1.007276
"1365615"	161.059676	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H"	1.007276
"140326"	161.059676	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+2H"	2.014552
"579523"	241.085876	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+2H"	2.014552
"1049415"	81.033476	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2H"	2.014552
"215133"	107.708876	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+3H"	3.021828
"655786"	161.059676	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+3H"	3.021828
"1172820"	54.358076	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+3H"	3.021828
"427706"	338.138623	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+NH4"	18.033823
"790523"	498.191023	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+NH4"	18.033823
"1689043"	178.086223	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+NH4"	18.033823
"338415"	169.5729495	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+H+NH4"	19.041099
"727921"	249.5991495	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+H+NH4"	19.041099
"1483563"	89.5467495	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H+NH4"	19.041099
"398962"	343.094018	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+Na"	22.989218
"758865"	503.146418	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+Na"	22.989218
"1605871"	183.041618	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Na"	22.989218
"322469"	172.050647	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+H+Na"	23.996494
"713798"	252.076847	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+H+Na"	23.996494
"1466525"	92.024447	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H+Na"	23.996494
"1063780"	61.68539	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2H+Na"	25.00377
"1266915"	193.085886	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+CH3OH+H"	33.033486
"385492"	359.067958	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+K"	38.963158
"746488"	519.120358	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+K"	38.963158
"1546355"	199.015558	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+K"	38.963158
"310094"	180.037617	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+H+K"	39.970434
"695957"	260.063817	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+H+K"	39.970434
"1449776"	100.011417	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H+K"	39.970434
"239473"	362.138626	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+ACN+H"	42.033826
"1219836"	202.086226	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+ACN+H"	42.033826
"1202625"	101.546751	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+ACN+2H"	43.041102
"194404"	365.07596	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+2Na-H"	44.97116
"639432"	525.12836	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+2Na-H"	44.97116
"1136379"	205.02356	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2Na-H"	44.97116
"175659"	183.041618	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+2Na"	45.978436
"626518"	263.067818	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+2Na"	45.978436
"1131002"	103.015418	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2Na"	45.978436
"1410996"	69.012704	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H+2Na"	46.985712
"1442382"	207.065146	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H+HCOOH"	47.012746
"230257"	188.07464	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+3H2O+2H"	56.04448
"1521236"	221.11719	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+IsoProp+H"	61.06479
"423962"	191.028588	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+Na+K"	61.952376
"784104"	271.054788	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+Na+K"	61.952376
"1679705"	111.002388	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Na+K"	61.952376
"262941"	384.120568	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+ACN+Na"	64.015768
"1233462"	224.068168	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+ACN+Na"	64.015768
"1727831"	224.091693	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+NH4+HCOOH"	64.039293
"1192455"	76.340018	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+3Na"	68.967654
"1663807"	229.047088	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Na+HCOOH"	68.994688
"171036"	397.02384	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+2K-H"	76.91904
"612049"	557.07624	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+2K-H"	76.91904
"1098023"	236.97144	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2K-H"	76.91904
"154838"	199.015558	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"2M+2K"	77.926316
"594034"	279.041758	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"3M+2K"	77.926316
"1073809"	118.989358	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2K"	77.926316
"1105926"	238.985992	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2K+H"	78.933592
"1344498"	239.073607	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+DMSO+H"	79.021207
"1015215"	243.112776	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2ACN+H"	83.060376
"1535162"	244.106408	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+IsoProp+Na+H"	84.054008
"996504"	122.060026	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+2ACN+2H"	84.067652
"1593195"	245.021028	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+K+HCOOH"	84.968628
"1419949"	275.052538	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+H+CF3COOH"	115.000138
"1151333"	142.573301	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+3ACN+2H"	125.094202
"1699062"	292.079085	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+NH4+CF3COOH"	132.026685
"1640911"	297.03448	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+Na+CF3COOH"	136.98208
"1585311"	313.00842	"C14785"	"14-Dihydroxynaphthalene;14-Naphthohydroquinone;Naphthalene-14-diol"	"C10H8O2"	"160.0524"	"M+K+CF3COOH"	152.95602
"814586"	144.0575	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M"	0
"984839"	125.03911	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H2O-H"	-19.01839
"75272"	95.0310573333333	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-3H"	-3.021828
"517747"	143.050224	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-3H"	-3.021828
"890446"	47.0118906666667	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-3H"	-3.021828
"9021"	143.050224	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H"	-2.014552
"447488"	215.078974	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H"	-2.014552
"830394"	71.021474	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H"	-2.014552
"87468"	287.107724	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-H"	-1.007276
"525934"	431.165224	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-H"	-1.007276
"902642"	143.050224	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H"	-1.007276
"56655"	304.134271	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H+NH4"	16.019271
"494393"	448.191771	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H+NH4"	16.019271
"873288"	160.076771	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H+NH4"	16.019271
"42285"	309.089666	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H+Na"	20.974666
"482573"	453.147166	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H+Na"	20.974666
"858187"	165.032166	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H+Na"	20.974666
"1629909"	165.032166	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na-2H"	20.974666
"103524"	161.038563	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-H+Cl"	33.962126
"548187"	233.067313	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-H+Cl"	33.962126
"937693"	89.009813	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+Cl"	33.962126
"280624"	323.084402	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Cl"	34.969402
"670861"	467.141902	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+Cl"	34.969402
"1283264"	179.026902	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl"	34.969402
"20355"	325.063606	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H+K"	36.948606
"459918"	469.121106	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H+K"	36.948606
"837719"	181.006106	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H+K"	36.948606
"1561206"	181.006106	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K-2H"	36.948606
"947997"	189.055694	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+HCOOH"	44.998194
"367305"	333.113201	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+HCOOH-H"	44.998201
"354471"	347.128851	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Hac-H"	59.013851
"1500022"	203.071351	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Hac-H"	59.013851
"965375"	211.037651	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+NaCOOH"	66.980151
"119751"	179.026902	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2Cl"	69.938804
"557122"	251.055652	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2Cl"	69.938804
"1028111"	106.998152	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2Cl"	69.938804
"1250969"	222.976385	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Br"	78.918885
"1310137"	225.032372	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl+HCOOH"	80.974872
"1322166"	247.014329	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl+NaCOOH"	102.956829
"913588"	257.043086	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+CF3COOH"	112.985586
"1290296"	293.019764	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl+CF3COOH"	148.962264
"1367968"	109.044824	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H-2H2O"	-35.012676
"1384129"	127.0548	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H-H2O"	-17.0027
"285279"	289.122276	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H"	1.007276
"689736"	433.179776	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H"	1.007276
"1366574"	145.064776	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H"	1.007276
"138977"	145.064776	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2H"	2.014552
"580481"	217.093526	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2H"	2.014552
"1049525"	73.036026	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2H"	2.014552
"218523"	97.0456093333333	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+3H"	3.021828
"658082"	145.064776	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+3H"	3.021828
"1177668"	49.0264426666667	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+3H"	3.021828
"430736"	306.148823	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+NH4"	18.033823
"791730"	450.206323	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+NH4"	18.033823
"1690249"	162.091323	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+NH4"	18.033823
"341805"	153.5780495	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H+NH4"	19.041099
"732040"	225.6067995	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H+NH4"	19.041099
"1485862"	81.5492995	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+NH4"	19.041099
"400166"	311.104218	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Na"	22.989218
"760069"	455.161718	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+Na"	22.989218
"1608169"	167.046718	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na"	22.989218
"322580"	156.055747	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H+Na"	23.996494
"712814"	228.084497	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H+Na"	23.996494
"1467728"	84.026997	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+Na"	23.996494
"1065712"	56.3537566666667	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2H+Na"	25.00377
"1269942"	177.090986	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+CH3OH+H"	33.033486
"386695"	327.078158	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+K"	38.963158
"749878"	471.135658	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+K"	38.963158
"1549745"	183.020658	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K"	38.963158
"312027"	164.042717	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H+K"	39.970434
"701170"	236.071467	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H+K"	39.970434
"1454259"	92.013967	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+K"	39.970434
"246142"	330.148826	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+ACN+H"	42.033826
"1221769"	186.091326	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+ACN+H"	42.033826
"1203826"	93.549301	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+ACN+2H"	43.041102
"196699"	333.08616	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2Na-H"	44.97116
"638448"	477.14366	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2Na-H"	44.97116
"1137946"	189.02866	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2Na-H"	44.97116
"177956"	167.046718	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2Na"	45.978436
"624441"	239.075468	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2Na"	45.978436
"1127946"	95.017968	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2Na"	45.978436
"1413820"	63.6810706666667	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+2Na"	46.985712
"1443949"	191.070246	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+HCOOH"	47.012746
"229271"	172.07974	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+3H2O+2H"	56.04448
"1522801"	205.12229	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+IsoProp+H"	61.06479
"421761"	175.033688	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Na+K"	61.952376
"784577"	247.062438	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+Na+K"	61.952376
"1677260"	103.004938	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na+K"	61.952376
"263051"	352.130768	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+ACN+Na"	64.015768
"1235759"	208.073268	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+ACN+Na"	64.015768
"1726845"	208.096793	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+NH4+HCOOH"	64.039293
"1191471"	71.0083846666667	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+3Na"	68.967654
"1664280"	213.052188	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na+HCOOH"	68.994688
"172601"	365.03404	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2K-H"	76.91904
"610337"	509.09154	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2K-H"	76.91904
"1098498"	220.97654	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2K-H"	76.91904
"154585"	183.020658	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2K"	77.926316
"592320"	255.049408	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2K"	77.926316
"1075011"	110.991908	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2K"	77.926316
"1103848"	222.991092	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2K+H"	78.933592
"1342420"	223.078707	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+DMSO+H"	79.021207
"1015326"	227.117876	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2ACN+H"	83.060376
"1533450"	228.111508	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+IsoProp+Na+H"	84.054008
"1000988"	114.062576	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2ACN+2H"	84.067652
"1596585"	229.026128	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K+HCOOH"	84.968628
"1421152"	259.057638	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+CF3COOH"	115.000138
"1152536"	134.575851	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+3ACN+2H"	125.094202
"1699172"	276.084185	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+NH4+CF3COOH"	132.026685
"1641021"	281.03958	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na+CF3COOH"	136.98208
"1585421"	297.01352	"C14786"	"(1R2S)-Naphthalene 12-oxide;(1R2S)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K+CF3COOH"	152.95602
"813603"	144.0575	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M"	0
"982762"	125.03911	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H2O-H"	-19.01839
"68822"	95.0310573333333	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-3H"	-3.021828
"514941"	143.050224	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-3H"	-3.021828
"887276"	47.0118906666667	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-3H"	-3.021828
"2568"	143.050224	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H"	-2.014552
"442128"	215.078974	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H"	-2.014552
"817743"	71.021474	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H"	-2.014552
"79233"	287.107724	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-H"	-1.007276
"521671"	431.165224	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-H"	-1.007276
"901659"	143.050224	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H"	-1.007276
"52755"	304.134271	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H+NH4"	16.019271
"488305"	448.191771	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H+NH4"	16.019271
"865743"	160.076771	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H+NH4"	16.019271
"36924"	309.089666	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H+Na"	20.974666
"472114"	453.147166	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H+Na"	20.974666
"852101"	165.032166	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H+Na"	20.974666
"1624917"	165.032166	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na-2H"	20.974666
"99260"	161.038563	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-H+Cl"	33.962126
"545382"	233.067313	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-H+Cl"	33.962126
"935615"	89.009813	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+Cl"	33.962126
"275266"	323.084402	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Cl"	34.969402
"667690"	467.141902	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+Cl"	34.969402
"1278999"	179.026902	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl"	34.969402
"21560"	325.063606	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M-2H+K"	36.948606
"463308"	469.121106	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M-2H+K"	36.948606
"837829"	181.006106	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-2H+K"	36.948606
"1559129"	181.006106	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K-2H"	36.948606
"944949"	189.055694	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+HCOOH"	44.998194
"364135"	333.113201	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+HCOOH-H"	44.998201
"353488"	347.128851	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Hac-H"	59.013851
"1496852"	203.071351	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Hac-H"	59.013851
"960018"	211.037651	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+NaCOOH"	66.980151
"118768"	179.026902	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2Cl"	69.938804
"556139"	251.055652	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2Cl"	69.938804
"1027128"	106.998152	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2Cl"	69.938804
"1246706"	222.976385	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Br"	78.918885
"1310247"	225.032372	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl+HCOOH"	80.974872
"1322276"	247.014329	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl+NaCOOH"	102.956829
"912969"	257.043086	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M-H+CF3COOH"	112.985586
"1289676"	293.019764	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Cl+CF3COOH"	148.962264
"1368565"	109.044824	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H-2H2O"	-35.012676
"1384604"	127.0548	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H-H2O"	-17.0027
"284296"	289.122276	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H"	1.007276
"685472"	433.179776	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H"	1.007276
"1361821"	145.064776	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H"	1.007276
"137991"	145.064776	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2H"	2.014552
"577553"	217.093526	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2H"	2.014552
"1050725"	73.036026	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2H"	2.014552
"217173"	97.0456093333333	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+3H"	3.021828
"657827"	145.064776	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+3H"	3.021828
"1175226"	49.0264426666667	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+3H"	3.021828
"431938"	306.148823	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+NH4"	18.033823
"792933"	450.206323	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+NH4"	18.033823
"1691450"	162.091323	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+NH4"	18.033823
"340821"	153.5780495	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H+NH4"	19.041099
"733243"	225.6067995	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H+NH4"	19.041099
"1487064"	81.5492995	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+NH4"	19.041099
"399185"	311.104218	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Na"	22.989218
"761271"	455.161718	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+Na"	22.989218
"1606213"	167.046718	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na"	22.989218
"322690"	156.055747	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H+Na"	23.996494
"712924"	228.084497	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H+Na"	23.996494
"1466744"	84.026997	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+Na"	23.996494
"1066186"	56.3537566666667	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2H+Na"	25.00377
"1267136"	177.090986	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+CH3OH+H"	33.033486
"381338"	327.078158	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+K"	38.963158
"749988"	471.135658	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+K"	38.963158
"1549855"	183.020658	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K"	38.963158
"312137"	164.042717	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+H+K"	39.970434
"700551"	236.071467	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+H+K"	39.970434
"1455464"	92.013967	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+K"	39.970434
"245161"	330.148826	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+ACN+H"	42.033826
"1220786"	186.091326	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+ACN+H"	42.033826
"1203936"	93.549301	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+ACN+2H"	43.041102
"196812"	333.08616	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2Na-H"	44.97116
"635278"	477.14366	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2Na-H"	44.97116
"1138784"	189.02866	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2Na-H"	44.97116
"183898"	167.046718	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2Na"	45.978436
"624551"	239.075468	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2Na"	45.978436
"1128420"	95.017968	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2Na"	45.978436
"1408662"	63.6810706666667	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+2Na"	46.985712
"1442601"	191.070246	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+HCOOH"	47.012746
"227194"	172.07974	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+3H2O+2H"	56.04448
"1521818"	205.12229	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+IsoProp+H"	61.06479
"419684"	175.033688	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+Na+K"	61.952376
"781407"	247.062438	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+Na+K"	61.952376
"1677734"	103.004938	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na+K"	61.952376
"260974"	352.130768	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+ACN+Na"	64.015768
"1234776"	208.073268	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+ACN+Na"	64.015768
"1725133"	208.096793	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+NH4+HCOOH"	64.039293
"1191216"	71.0083846666667	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+3Na"	68.967654
"1665444"	213.052188	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na+HCOOH"	68.994688
"170157"	365.03404	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2K-H"	76.91904
"609354"	509.09154	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2K-H"	76.91904
"1098487"	220.97654	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2K-H"	76.91904
"153238"	183.020658	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"2M+2K"	77.926316
"594256"	255.049408	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"3M+2K"	77.926316
"1075122"	110.991908	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2K"	77.926316
"1101768"	222.991092	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2K+H"	78.933592
"1343623"	223.078707	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+DMSO+H"	79.021207
"1014340"	227.117876	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2ACN+H"	83.060376
"1534289"	228.111508	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+IsoProp+Na+H"	84.054008
"997816"	114.062576	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+2ACN+2H"	84.067652
"1593414"	229.026128	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K+HCOOH"	84.968628
"1415795"	259.057638	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+H+CF3COOH"	115.000138
"1153739"	134.575851	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+3ACN+2H"	125.094202
"1698918"	276.084185	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+NH4+CF3COOH"	132.026685
"1638944"	281.03958	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+Na+CF3COOH"	136.98208
"1585531"	297.01352	"C14787"	"(1S2R)-Naphthalene 12-oxide;(1S2R)-Naphthalene epoxide"	"C10H8O"	"144.0575"	"M+K+CF3COOH"	152.95602
"814808"	157.0528	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M"	0
"986158"	138.03441	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-H2O-H"	-19.01839
"73306"	103.694590666667	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M-3H"	-3.021828
"509586"	156.045524	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M-3H"	-3.021828
"892853"	51.3436573333333	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-3H"	-3.021828
"12525"	156.045524	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M-2H"	-2.014552
"448806"	234.571924	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M-2H"	-2.014552
"818953"	77.519124	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-2H"	-2.014552
"86599"	313.098324	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M-H"	-1.007276
"523971"	470.151124	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M-H"	-1.007276
"901774"	156.045524	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-H"	-1.007276
"56148"	330.124871	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M-2H+NH4"	16.019271
"496803"	487.177671	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M-2H+NH4"	16.019271
"872417"	173.072071	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-2H+NH4"	16.019271
"42505"	335.080266	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M-2H+Na"	20.974666
"479881"	492.133066	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M-2H+Na"	20.974666
"854403"	178.027466	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-2H+Na"	20.974666
"1628310"	178.027466	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Na-2H"	20.974666
"103744"	174.033863	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M-H+Cl"	33.962126
"545493"	252.560263	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M-H+Cl"	33.962126
"935728"	95.507463	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-H+Cl"	33.962126
"276471"	349.075002	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+Cl"	34.969402
"671079"	506.127802	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+Cl"	34.969402
"1282388"	192.022202	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Cl"	34.969402
"28234"	351.054206	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M-2H+K"	36.948606
"465608"	508.107006	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M-2H+K"	36.948606
"837943"	194.001406	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-2H+K"	36.948606
"1567992"	194.001406	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+K-2H"	36.948606
"955873"	202.050994	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-H+HCOOH"	44.998194
"371903"	359.103801	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+HCOOH-H"	44.998201
"359065"	373.119451	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+Hac-H"	59.013851
"1506076"	216.066651	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Hac-H"	59.013851
"967785"	224.032951	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-H+NaCOOH"	66.980151
"121065"	192.022202	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+2Cl"	69.938804
"560625"	270.548602	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+2Cl"	69.938804
"1027238"	113.495802	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2Cl"	69.938804
"1246816"	235.971685	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Br"	78.918885
"1309264"	238.027672	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Cl+HCOOH"	80.974872
"1323114"	260.009629	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Cl+NaCOOH"	102.956829
"915995"	270.038386	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M-H+CF3COOH"	112.985586
"1295625"	306.015064	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Cl+CF3COOH"	148.962264
"1372691"	122.040124	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H-2H2O"	-35.012676
"1390190"	140.0501	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H-H2O"	-17.0027
"286595"	315.112876	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+H"	1.007276
"677923"	472.165676	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+H"	1.007276
"1364120"	158.060076	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H"	1.007276
"129353"	158.060076	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+2H"	2.014552
"580463"	236.586476	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+2H"	2.014552
"1050474"	79.533676	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2H"	2.014552
"215464"	105.709142666667	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+3H"	3.021828
"656116"	158.060076	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+3H"	3.021828
"1175337"	53.3582093333333	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+3H"	3.021828
"428404"	332.139423	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+NH4"	18.033823
"790858"	489.192223	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+NH4"	18.033823
"1685000"	175.086623	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+NH4"	18.033823
"337650"	166.5733495	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+H+NH4"	19.041099
"725699"	245.0997495	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+H+NH4"	19.041099
"1481707"	88.0469495	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H+NH4"	19.041099
"397106"	337.094818	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+Na"	22.989218
"759194"	494.147618	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+Na"	22.989218
"1609481"	180.042018	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Na"	22.989218
"319520"	169.051047	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+H+Na"	23.996494
"718501"	247.577447	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+H+Na"	23.996494
"1467947"	90.524647	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H+Na"	23.996494
"1059005"	60.6855233333333	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2H+Na"	25.00377
"1261779"	190.086286	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+CH3OH+H"	33.033486
"379261"	353.068758	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+K"	38.963158
"749734"	510.121558	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+K"	38.963158
"1549965"	196.015958	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+K"	38.963158
"310056"	177.038017	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+H+K"	39.970434
"705035"	255.564417	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+H+K"	39.970434
"1456305"	98.511617	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H+K"	39.970434
"243084"	356.139426	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+ACN+H"	42.033826
"1216887"	199.086626	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+ACN+H"	42.033826
"1199674"	100.046951	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+ACN+2H"	43.041102
"195829"	359.07676	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+2Na-H"	44.97116
"635390"	516.12956	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+2Na-H"	44.97116
"1137803"	202.02396	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2Na-H"	44.97116
"179999"	180.042018	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+2Na"	45.978436
"626727"	258.568418	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+2Na"	45.978436
"1129989"	101.515618	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2Na"	45.978436
"1412665"	68.0128373333333	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H+2Na"	46.985712
"1443806"	204.065546	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H+HCOOH"	47.012746
"232779"	185.07504	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+3H2O+2H"	56.04448
"1521201"	218.11759	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+IsoProp+H"	61.06479
"422345"	188.028988	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+Na+K"	61.952376
"783702"	266.555388	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+Na+K"	61.952376
"1673473"	109.502588	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Na+K"	61.952376
"262176"	378.121368	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+ACN+Na"	64.015768
"1234884"	221.068568	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+ACN+Na"	64.015768
"1725609"	221.092093	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+NH4+HCOOH"	64.039293
"1191694"	75.3401513333333	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+3Na"	68.967654
"1662318"	226.047488	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Na+HCOOH"	68.994688
"170272"	391.02464	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+2K-H"	76.91904
"604364"	548.07744	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+2K-H"	76.91904
"1091065"	233.97184	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2K-H"	76.91904
"148975"	196.015958	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"2M+2K"	77.926316
"590358"	274.542358	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"3M+2K"	77.926316
"1073774"	117.489558	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2K"	77.926316
"1102974"	235.986392	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2K+H"	78.933592
"1340452"	236.074007	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+DMSO+H"	79.021207
"1010074"	240.113176	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2ACN+H"	83.060376
"1533304"	241.106808	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+IsoProp+Na+H"	84.054008
"997928"	120.560226	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+2ACN+2H"	84.067652
"1593526"	242.021428	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+K+HCOOH"	84.968628
"1422469"	272.052938	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+H+CF3COOH"	115.000138
"1158226"	141.073501	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+3ACN+2H"	125.094202
"1703403"	289.079485	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+NH4+CF3COOH"	132.026685
"1639054"	294.03488	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+Na+CF3COOH"	136.98208
"1585641"	310.00882	"C14788"	"1-Nitrosonaphthalene"	"C10H7NO"	"157.0528"	"M+K+CF3COOH"	152.95602
"815647"	159.0684	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M"	0
"985173"	140.05001	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-H2O-H"	-19.01839
"72322"	105.038324	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M-3H"	-3.021828
"515161"	158.061124	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M-3H"	-3.021828
"887496"	52.015524	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-3H"	-3.021828
"12274"	158.061124	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M-2H"	-2.014552
"450010"	237.595324	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M-2H"	-2.014552
"824530"	78.526924	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-2H"	-2.014552
"84520"	317.129524	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M-H"	-1.007276
"525176"	476.197924	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M-H"	-1.007276
"904071"	158.061124	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-H"	-1.007276
"59539"	334.156071	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M-2H+NH4"	16.019271
"496914"	493.224471	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M-2H+NH4"	16.019271
"872527"	175.087671	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-2H+NH4"	16.019271
"42615"	339.111466	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M-2H+Na"	20.974666
"477805"	498.179866	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M-2H+Na"	20.974666
"854878"	180.043066	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-2H+Na"	20.974666
"1628420"	180.043066	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Na-2H"	20.974666
"108351"	176.049463	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M-H+Cl"	33.962126
"547426"	255.583663	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M-H+Cl"	33.962126
"939119"	96.515263	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-H+Cl"	33.962126
"278768"	353.106202	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+Cl"	34.969402
"670096"	512.174602	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+Cl"	34.969402
"1284685"	194.037802	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Cl"	34.969402
"26158"	355.085406	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M-2H+K"	36.948606
"467905"	514.153806	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M-2H+K"	36.948606
"846436"	196.017006	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-2H+K"	36.948606
"1569561"	196.017006	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+K-2H"	36.948606
"956840"	204.066594	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-H+HCOOH"	44.998194
"373836"	363.135001	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+HCOOH-H"	44.998201
"358813"	377.150651	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+Hac-H"	59.013851
"1504363"	218.082251	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Hac-H"	59.013851
"970082"	226.048551	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-H+NaCOOH"	66.980151
"117895"	194.037802	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+2Cl"	69.938804
"560735"	273.572002	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+2Cl"	69.938804
"1026255"	114.503602	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2Cl"	69.938804
"1248019"	237.987285	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Br"	78.918885
"1307187"	240.043272	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Cl+HCOOH"	80.974872
"1323591"	262.025229	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Cl+NaCOOH"	102.956829
"922303"	272.053986	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M-H+CF3COOH"	112.985586
"1293546"	308.030664	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Cl+CF3COOH"	148.962264
"1371708"	124.055724	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H-2H2O"	-35.012676
"1389204"	142.0657	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H-H2O"	-17.0027
"287798"	319.144076	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+H"	1.007276
"677665"	478.212476	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+H"	1.007276
"1360949"	160.075676	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H"	1.007276
"129462"	160.075676	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+2H"	2.014552
"575587"	239.609876	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+2H"	2.014552
"1047666"	80.541476	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2H"	2.014552
"210097"	107.052876	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+3H"	3.021828
"652947"	160.075676	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+3H"	3.021828
"1174715"	54.030076	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+3H"	3.021828
"425962"	336.170623	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+NH4"	18.033823
"786959"	495.239023	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+NH4"	18.033823
"1683286"	177.102223	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+NH4"	18.033823
"337760"	168.5889495	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+H+NH4"	19.041099
"725078"	248.1231495	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+H+NH4"	19.041099
"1478536"	89.0547495	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H+NH4"	19.041099
"393935"	341.126018	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+Na"	22.989218
"756147"	500.194418	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+Na"	22.989218
"1610686"	182.057618	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Na"	22.989218
"321817"	171.066647	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+H+Na"	23.996494
"718613"	250.600847	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+H+Na"	23.996494
"1471339"	91.532447	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H+Na"	23.996494
"1063490"	61.35739	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2H+Na"	25.00377
"1265171"	192.101886	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+CH3OH+H"	33.033486
"379371"	357.099958	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+K"	38.963158
"744742"	516.168358	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+K"	38.963158
"1551898"	198.031558	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+K"	38.963158
"311625"	179.053617	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+H+K"	39.970434
"703689"	258.587817	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+H+K"	39.970434
"1455322"	99.519417	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H+K"	39.970434
"247204"	360.170626	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+ACN+H"	42.033826
"1215903"	201.102226	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+ACN+H"	42.033826
"1198692"	101.054751	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+ACN+2H"	43.041102
"200312"	363.10796	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+2Na-H"	44.97116
"633313"	522.17636	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+2Na-H"	44.97116
"1140100"	204.03956	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2Na-H"	44.97116
"187399"	182.057618	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+2Na"	45.978436
"627812"	261.591818	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+2Na"	45.978436
"1130346"	102.523418	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2Na"	45.978436
"1413138"	68.684704	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H+2Na"	46.985712
"1444283"	206.081146	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H+HCOOH"	47.012746
"232889"	187.09064	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+3H2O+2H"	56.04448
"1521311"	220.13319	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+IsoProp+H"	61.06479
"422456"	190.044588	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+Na+K"	61.952376
"780531"	269.578788	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+Na+K"	61.952376
"1677957"	110.510388	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Na+K"	61.952376
"259006"	382.152568	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+ACN+Na"	64.015768
"1232808"	223.084168	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+ACN+Na"	64.015768
"1726085"	223.107693	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+NH4+HCOOH"	64.039293
"1192534"	76.012018	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+3Na"	68.967654
"1663522"	228.063088	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Na+HCOOH"	68.994688
"170382"	395.05584	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+2K-H"	76.91904
"611399"	554.12424	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+2K-H"	76.91904
"1093363"	235.98744	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2K-H"	76.91904
"150179"	198.031558	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"2M+2K"	77.926316
"590468"	277.565758	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"3M+2K"	77.926316
"1072061"	118.497358	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2K"	77.926316
"1101261"	238.001992	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2K+H"	78.933592
"1339468"	238.089607	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+DMSO+H"	79.021207
"1011279"	242.128776	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2ACN+H"	83.060376
"1532688"	243.122408	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+IsoProp+Na+H"	84.054008
"996947"	121.568026	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+2ACN+2H"	84.067652
"1596914"	244.037028	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+K+HCOOH"	84.968628
"1423672"	274.068538	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+H+CF3COOH"	115.000138
"1156149"	142.081301	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+3ACN+2H"	125.094202
"1698164"	291.095085	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+NH4+CF3COOH"	132.026685
"1639165"	296.05048	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+Na+CF3COOH"	136.98208
"1573720"	312.02442	"C14789"	"N-Hydroxy-1-aminonaphthalene;1-Naphthylhydroxylamine"	"C10H9NO"	"159.0684"	"M+K+CF3COOH"	152.95602
"815027"	143.0735	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M"	0
"989617"	124.05511	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-H2O-H"	-19.01839
"75712"	94.3750573333333	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M-3H"	-3.021828
"509806"	142.066224	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M-3H"	-3.021828
"891984"	46.6838906666667	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-3H"	-3.021828
"15575"	142.066224	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H"	-2.014552
"453400"	213.602974	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H"	-2.014552
"826828"	70.529474	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H"	-2.014552
"85724"	285.139724	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M-H"	-1.007276
"530757"	428.213224	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M-H"	-1.007276
"910951"	142.066224	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-H"	-1.007276
"59651"	302.166271	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H+NH4"	16.019271
"501157"	445.239771	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H+NH4"	16.019271
"877015"	159.092771	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H+NH4"	16.019271
"39448"	307.121666	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H+Na"	20.974666
"474999"	450.195166	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H+Na"	20.974666
"856812"	164.048166	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H+Na"	20.974666
"1627438"	164.048166	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na-2H"	20.974666
"100688"	160.054563	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M-H+Cl"	33.962126
"537333"	231.591313	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M-H+Cl"	33.962126
"931576"	88.517813	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+Cl"	33.962126
"272321"	321.116402	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Cl"	34.969402
"665834"	464.189902	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+Cl"	34.969402
"1276052"	178.042902	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl"	34.969402
"21889"	323.095606	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M-2H+K"	36.948606
"462545"	466.169106	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M-2H+K"	36.948606
"839253"	180.022106	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-2H+K"	36.948606
"1563835"	180.022106	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+K-2H"	36.948606
"947343"	188.071694	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+HCOOH"	44.998194
"375401"	331.145201	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+HCOOH-H"	44.998201
"359284"	345.160851	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Hac-H"	59.013851
"1505928"	202.087351	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Hac-H"	59.013851
"970191"	210.053651	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+NaCOOH"	66.980151
"124568"	178.042902	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2Cl"	69.938804
"564491"	249.579652	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2Cl"	69.938804
"1026363"	106.506152	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2Cl"	69.938804
"1245942"	221.992385	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Br"	78.918885
"1310576"	224.048372	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl+HCOOH"	80.974872
"1328074"	246.030329	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl+NaCOOH"	102.956829
"914759"	256.059086	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M-H+CF3COOH"	112.985586
"1289644"	292.035764	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Cl+CF3COOH"	148.962264
"1370722"	108.060824	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H-2H2O"	-35.012676
"1386033"	126.0708	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H-H2O"	-17.0027
"290097"	287.154276	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H"	1.007276
"683611"	430.227776	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H"	1.007276
"1355586"	144.080776	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H"	1.007276
"129936"	144.080776	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2H"	2.014552
"575698"	215.617526	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2H"	2.014552
"1048871"	72.544026	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2H"	2.014552
"210217"	96.3896093333333	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+3H"	3.021828
"656339"	144.080776	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+3H"	3.021828
"1165349"	48.6984426666667	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+3H"	3.021828
"425706"	304.180823	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+NH4"	18.033823
"787550"	447.254323	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+NH4"	18.033823
"1684123"	161.107323	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+NH4"	18.033823
"331675"	152.5940495	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H+NH4"	19.041099
"727017"	224.1307995	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H+NH4"	19.041099
"1479376"	81.0572995	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+NH4"	19.041099
"395505"	309.136218	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Na"	22.989218
"759417"	452.209718	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+Na"	22.989218
"1610796"	166.062718	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na"	22.989218
"323020"	155.071747	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H+Na"	23.996494
"713254"	226.608497	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H+Na"	23.996494
"1471449"	83.534997	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+Na"	23.996494
"1057041"	56.0257566666667	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2H+Na"	25.00377
"1268200"	176.106986	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+CH3OH+H"	33.033486
"384950"	325.110158	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+K"	38.963158
"747039"	468.183658	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+K"	38.963158
"1552372"	182.036658	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+K"	38.963158
"312830"	163.058717	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+H+K"	39.970434
"698693"	234.595467	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+H+K"	39.970434
"1457979"	91.521967	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+K"	39.970434
"245489"	328.180826	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+ACN+H"	42.033826
"1219292"	185.107326	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+ACN+H"	42.033826
"1206454"	93.057301	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+ACN+2H"	43.041102
"203340"	331.11816	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2Na-H"	44.97116
"641076"	474.19166	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2Na-H"	44.97116
"1143127"	188.04466	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2Na-H"	44.97116
"185324"	166.062718	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2Na"	45.978436
"627070"	237.599468	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2Na"	45.978436
"1130946"	94.525968	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2Na"	45.978436
"1412652"	63.3530706666667	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+2Na"	46.985712
"1445007"	190.086246	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+HCOOH"	47.012746
"234460"	171.09574	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+3H2O+2H"	56.04448
"1522884"	204.13829	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+IsoProp+H"	61.06479
"423297"	174.049688	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+Na+K"	61.952376
"784777"	245.586438	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+Na+K"	61.952376
"1680501"	102.512938	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na+K"	61.952376
"265317"	350.162768	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+ACN+Na"	64.015768
"1240465"	207.089268	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+ACN+Na"	64.015768
"1723642"	207.112793	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+NH4+HCOOH"	64.039293
"1191186"	70.6803846666667	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+3Na"	68.967654
"1658893"	212.068188	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na+HCOOH"	68.994688
"168670"	363.06604	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2K-H"	76.91904
"602394"	506.13954	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2K-H"	76.91904
"1091286"	219.99254	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2K-H"	76.91904
"147008"	182.036658	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"2M+2K"	77.926316
"587660"	253.573408	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"3M+2K"	77.926316
"1069496"	110.499908	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2K"	77.926316
"1102100"	222.007092	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2K+H"	78.933592
"1336662"	222.094707	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+DMSO+H"	79.021207
"1008108"	226.133876	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2ACN+H"	83.060376
"1532795"	227.127508	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+IsoProp+Na+H"	84.054008
"998149"	113.570576	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+2ACN+2H"	84.067652
"1589735"	228.042128	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+K+HCOOH"	84.968628
"1418312"	258.073638	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+H+CF3COOH"	115.000138
"1148600"	134.083851	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+3ACN+2H"	125.094202
"1702529"	275.100185	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+NH4+CF3COOH"	132.026685
"1643647"	280.05558	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+Na+CF3COOH"	136.98208
"1572738"	296.02952	"C14790"	"1-Naphthylamine"	"C10H9N"	"143.0735"	"M+K+CF3COOH"	152.95602
"815137"	451.1413	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M"	0
"987217"	432.12291	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H2O-H"	-19.01839
"71449"	299.753590666667	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-3H"	-3.021828
"508823"	450.134024	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-3H"	-3.021828
"881158"	149.373157333333	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-3H"	-3.021828
"1190"	450.134024	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H"	-2.014552
"440382"	675.704674	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H"	-2.014552
"821469"	224.563374	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H"	-2.014552
"80366"	901.275324	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-H"	-1.007276
"524301"	1352.416624	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-H"	-1.007276
"902104"	450.134024	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H"	-1.007276
"52104"	918.301871	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+NH4"	16.019271
"497134"	1369.443171	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+NH4"	16.019271
"872747"	467.160571	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+NH4"	16.019271
"39558"	923.257266	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+Na"	20.974666
"478025"	1374.398566	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+Na"	20.974666
"860202"	472.115966	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+Na"	20.974666
"1628642"	472.115966	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na-2H"	20.974666
"100798"	468.122363	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-H+Cl"	33.962126
"539266"	693.693013	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-H+Cl"	33.962126
"934967"	242.551713	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+Cl"	33.962126
"272431"	937.252002	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Cl"	34.969402
"668131"	1388.393302	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Cl"	34.969402
"1277255"	486.110702	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl"	34.969402
"21999"	939.231206	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+K"	36.948606
"462655"	1390.372506	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+K"	36.948606
"839363"	488.089906	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+K"	36.948606
"1562852"	488.089906	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K-2H"	36.948606
"947453"	496.139494	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+HCOOH"	44.998194
"374418"	947.280801	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+HCOOH-H"	44.998201
"358301"	961.296451	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Hac-H"	59.013851
"1504945"	510.155151	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Hac-H"	59.013851
"969207"	518.121451	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+NaCOOH"	66.980151
"120301"	486.110702	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Cl"	69.938804
"560955"	711.681352	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Cl"	69.938804
"1028660"	260.540052	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Cl"	69.938804
"1247145"	530.060185	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Br"	78.918885
"1310687"	532.116172	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+HCOOH"	80.974872
"1328184"	554.098129	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+NaCOOH"	102.956829
"917056"	564.126886	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+CF3COOH"	112.985586
"1291941"	600.103564	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+CF3COOH"	148.962264
"1370832"	416.128624	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H-2H2O"	-35.012676
"1387236"	434.1386	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H-H2O"	-17.0027
"289114"	903.289876	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H"	1.007276
"683721"	1354.431176	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H"	1.007276
"1356789"	452.148576	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H"	1.007276
"135146"	452.148576	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2H"	2.014552
"571425"	677.719226	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2H"	2.014552
"1044602"	226.577926	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2H"	2.014552
"213599"	301.768142666667	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+3H"	3.021828
"653160"	452.148576	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+3H"	3.021828
"1165092"	151.387709333333	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3H"	3.021828
"425814"	920.316423	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+NH4"	18.033823
"787538"	1371.457723	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+NH4"	18.033823
"1682045"	469.175123	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4"	18.033823
"331420"	460.6618495	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+NH4"	19.041099
"726033"	686.2324995	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+NH4"	19.041099
"1479122"	235.0911995	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+NH4"	19.041099
"398532"	925.271818	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Na"	22.989218
"758434"	1376.413118	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Na"	22.989218
"1608719"	474.130518	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na"	22.989218
"320944"	463.139547	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+Na"	23.996494
"715552"	688.710197	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+Na"	23.996494
"1467186"	237.568897	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+Na"	23.996494
"1057151"	158.715023333333	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2H+Na"	25.00377
"1266487"	484.174786	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+CH3OH+H"	33.033486
"388341"	941.245758	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+K"	38.963158
"749337"	1392.387058	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+K"	38.963158
"1551390"	490.104458	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K"	38.963158
"311482"	471.126517	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+K"	39.970434
"699896"	696.697167	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+K"	39.970434
"1456996"	245.555867	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+K"	39.970434
"249851"	944.316426	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+ACN+H"	42.033826
"1221588"	493.175126	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+H"	42.033826
"1204378"	247.091201	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+2H"	43.041102
"203530"	947.25376	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Na-H"	44.97116
"643981"	1398.39506	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Na-H"	44.97116
"1143599"	496.11246	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Na-H"	44.97116
"185434"	474.130518	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Na"	45.978436
"626086"	699.701168	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Na"	45.978436
"1131177"	248.559868	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Na"	45.978436
"1412760"	166.042337333333	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+2Na"	46.985712
"1445240"	498.154046	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+HCOOH"	47.012746
"234931"	479.16354	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+3H2O+2H"	56.04448
"1523970"	512.20609	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+IsoProp+H"	61.06479
"423651"	482.117488	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Na+K"	61.952376
"784400"	707.688138	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Na+K"	61.952376
"1680975"	256.546838	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+K"	61.952376
"264942"	966.298368	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+ACN+Na"	64.015768
"1240697"	515.157068	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+Na"	64.015768
"1725937"	515.180593	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4+HCOOH"	64.039293
"1192753"	173.369651333333	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3Na"	68.967654
"1659367"	520.135988	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+HCOOH"	68.994688
"169144"	979.20164	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2K-H"	76.91904
"602505"	1430.34294	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2K-H"	76.91904
"1090303"	528.06034	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K-H"	76.91904
"148212"	490.104458	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2K"	77.926316
"586676"	715.675108	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2K"	77.926316
"1069240"	264.533808	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K"	77.926316
"1101238"	530.074892	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K+H"	78.933592
"1336163"	530.162507	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+DMSO+H"	79.021207
"1007246"	534.201676	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2ACN+H"	83.060376
"1531811"	535.195308	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+IsoProp+Na+H"	84.054008
"996072"	267.604476	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2ACN+2H"	84.067652
"1592762"	536.109928	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K+HCOOH"	84.968628
"1415506"	566.141438	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+CF3COOH"	115.000138
"1149803"	288.117751	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3ACN+2H"	125.094202
"1701546"	583.167985	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4+CF3COOH"	132.026685
"1641571"	588.12338	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+CF3COOH"	136.98208
"1571873"	604.09732	"C14791"	"(1R)-Hydroxy-(2R)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K+CF3COOH"	152.95602
"815247"	451.1413	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M"	0
"988421"	432.12291	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H2O-H"	-19.01839
"74839"	299.753590666667	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-3H"	-3.021828
"506746"	450.134024	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-3H"	-3.021828
"882360"	149.373157333333	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-3H"	-3.021828
"933"	450.134024	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H"	-2.014552
"442676"	675.704674	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H"	-2.014552
"819388"	224.563374	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H"	-2.014552
"80472"	901.275324	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-H"	-1.007276
"521492"	1352.416624	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-H"	-1.007276
"901120"	450.134024	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H"	-1.007276
"52578"	918.301871	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+NH4"	16.019271
"497243"	1369.443171	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+NH4"	16.019271
"872857"	467.160571	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+NH4"	16.019271
"39669"	923.257266	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+Na"	20.974666
"479228"	1374.398566	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+Na"	20.974666
"852292"	472.115966	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+Na"	20.974666
"1627659"	472.115966	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na-2H"	20.974666
"97628"	468.122363	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-H+Cl"	33.962126
"541563"	693.693013	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-H+Cl"	33.962126
"933983"	242.551713	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+Cl"	33.962126
"272541"	937.252002	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Cl"	34.969402
"670428"	1388.393302	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Cl"	34.969402
"1279552"	486.110702	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl"	34.969402
"23203"	939.231206	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+K"	36.948606
"461672"	1390.372506	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+K"	36.948606
"842753"	488.089906	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+K"	36.948606
"1566241"	488.089906	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K-2H"	36.948606
"947563"	496.139494	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+HCOOH"	44.998194
"375257"	947.280801	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+HCOOH-H"	44.998201
"359870"	961.296451	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Hac-H"	59.013851
"1505784"	510.155151	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Hac-H"	59.013851
"971504"	518.121451	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+NaCOOH"	66.980151
"120411"	486.110702	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Cl"	69.938804
"557784"	711.681352	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Cl"	69.938804
"1036062"	260.540052	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Cl"	69.938804
"1252722"	530.060185	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Br"	78.918885
"1311890"	532.116172	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+HCOOH"	80.974872
"1326107"	554.098129	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+NaCOOH"	102.956829
"914979"	564.126886	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+CF3COOH"	112.985586
"1289863"	600.103564	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+CF3COOH"	148.962264
"1369120"	416.128624	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H-2H2O"	-35.012676
"1384067"	434.1386	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H-H2O"	-17.0027
"290317"	903.289876	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H"	1.007276
"682738"	1354.431176	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H"	1.007276
"1354712"	452.148576	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H"	1.007276
"133068"	452.148576	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2H"	2.014552
"571536"	677.719226	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2H"	2.014552
"1043616"	226.577926	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2H"	2.014552
"213709"	301.768142666667	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+3H"	3.021828
"653268"	452.148576	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+3H"	3.021828
"1170303"	151.387709333333	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3H"	3.021828
"425318"	920.316423	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+NH4"	18.033823
"786193"	1371.457723	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+NH4"	18.033823
"1681790"	469.175123	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4"	18.033823
"333721"	460.6618495	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+NH4"	19.041099
"724322"	686.2324995	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+NH4"	19.041099
"1478260"	235.0911995	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+NH4"	19.041099
"397549"	925.271818	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Na"	22.989218
"759638"	1376.413118	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Na"	22.989218
"1605549"	474.130518	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na"	22.989218
"319961"	463.139547	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+Na"	23.996494
"714569"	688.710197	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+Na"	23.996494
"1467296"	237.568897	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+Na"	23.996494
"1057261"	158.715023333333	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2H+Na"	25.00377
"1264409"	484.174786	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+CH3OH+H"	33.033486
"381891"	941.245758	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+K"	38.963158
"749447"	1392.387058	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+K"	38.963158
"1550406"	490.104458	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K"	38.963158
"310863"	471.126517	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+K"	39.970434
"702193"	696.697167	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+K"	39.970434
"1457105"	245.555867	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+K"	39.970434
"248988"	944.316426	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+ACN+H"	42.033826
"1222670"	493.175126	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+H"	42.033826
"1206674"	247.091201	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+2H"	43.041102
"203437"	947.25376	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Na-H"	44.97116
"643241"	1398.39506	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Na-H"	44.97116
"1143708"	496.11246	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Na-H"	44.97116
"186274"	474.130518	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Na"	45.978436
"627172"	699.701168	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Na"	45.978436
"1130317"	248.559868	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Na"	45.978436
"1413113"	166.042337333333	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+2Na"	46.985712
"1443893"	498.154046	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+HCOOH"	47.012746
"233952"	479.16354	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+3H2O+2H"	56.04448
"1523107"	512.20609	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+IsoProp+H"	61.06479
"423764"	482.117488	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Na+K"	61.952376
"784025"	707.688138	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Na+K"	61.952376
"1680720"	256.546838	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+K"	61.952376
"265537"	966.298368	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+ACN+Na"	64.015768
"1238254"	515.157068	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+Na"	64.015768
"1722402"	515.180593	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4+HCOOH"	64.039293
"1188123"	173.369651333333	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3Na"	68.967654
"1660571"	520.135988	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+HCOOH"	68.994688
"166340"	979.20164	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2K-H"	76.91904
"602617"	1430.34294	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2K-H"	76.91904
"1089318"	528.06034	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K-H"	76.91904
"145040"	490.104458	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2K"	77.926316
"581677"	715.675108	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2K"	77.926316
"1070690"	264.533808	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K"	77.926316
"1101351"	530.074892	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K+H"	78.933592
"1335748"	530.162507	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+DMSO+H"	79.021207
"1006505"	534.201676	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2ACN+H"	83.060376
"1533013"	535.195308	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+IsoProp+Na+H"	84.054008
"997275"	267.604476	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2ACN+2H"	84.067652
"1592874"	536.109928	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K+HCOOH"	84.968628
"1418532"	566.141438	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+CF3COOH"	115.000138
"1148820"	288.117751	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3ACN+2H"	125.094202
"1701656"	583.167985	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4+CF3COOH"	132.026685
"1641681"	588.12338	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+CF3COOH"	136.98208
"1571864"	604.09732	"C14792"	"(1S)-Hydroxy-(2S)-glutathionyl-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K+CF3COOH"	152.95602
"814264"	451.1413	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M"	0
"987798"	432.12291	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H2O-H"	-19.01839
"71669"	299.753590666667	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-3H"	-3.021828
"514509"	450.134024	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-3H"	-3.021828
"881377"	149.373157333333	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-3H"	-3.021828
"473"	450.134024	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H"	-2.014552
"441694"	675.704674	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H"	-2.014552
"818040"	224.563374	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H"	-2.014552
"79854"	901.275324	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-H"	-1.007276
"520873"	1352.416624	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-H"	-1.007276
"902324"	450.134024	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H"	-1.007276
"53052"	918.301871	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+NH4"	16.019271
"499540"	1369.443171	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+NH4"	16.019271
"871874"	467.160571	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+NH4"	16.019271
"40873"	923.257266	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+Na"	20.974666
"479338"	1374.398566	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+Na"	20.974666
"854955"	472.115966	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+Na"	20.974666
"1628861"	472.115966	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na-2H"	20.974666
"97735"	468.122363	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-H+Cl"	33.962126
"535107"	693.693013	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-H+Cl"	33.962126
"934093"	242.551713	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+Cl"	33.962126
"273742"	937.252002	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Cl"	34.969402
"668350"	1388.393302	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Cl"	34.969402
"1277476"	486.110702	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl"	34.969402
"21128"	939.231206	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M-2H+K"	36.948606
"461782"	1390.372506	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M-2H+K"	36.948606
"842863"	488.089906	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-2H+K"	36.948606
"1566351"	488.089906	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K-2H"	36.948606
"947673"	496.139494	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+HCOOH"	44.998194
"374638"	947.280801	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+HCOOH-H"	44.998201
"359614"	961.296451	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Hac-H"	59.013851
"1502978"	510.155151	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Hac-H"	59.013851
"969427"	518.121451	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+NaCOOH"	66.980151
"120521"	486.110702	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Cl"	69.938804
"557893"	711.681352	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Cl"	69.938804
"1032161"	260.540052	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Cl"	69.938804
"1252833"	530.060185	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Br"	78.918885
"1311999"	532.116172	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+HCOOH"	80.974872
"1326216"	554.098129	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+NaCOOH"	102.956829
"916183"	564.126886	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M-H+CF3COOH"	112.985586
"1290703"	600.103564	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Cl+CF3COOH"	148.962264
"1367109"	416.128624	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H-2H2O"	-35.012676
"1384178"	434.1386	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H-H2O"	-17.0027
"291521"	903.289876	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H"	1.007276
"682848"	1354.431176	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H"	1.007276
"1355914"	452.148576	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H"	1.007276
"132085"	452.148576	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2H"	2.014552
"573832"	677.719226	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2H"	2.014552
"1044819"	226.577926	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2H"	2.014552
"213819"	301.768142666667	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+3H"	3.021828
"653378"	452.148576	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+3H"	3.021828
"1171139"	151.387709333333	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3H"	3.021828
"426762"	920.316423	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+NH4"	18.033823
"787153"	1371.457723	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+NH4"	18.033823
"1682629"	469.175123	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4"	18.033823
"331642"	460.6618495	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+NH4"	19.041099
"723824"	686.2324995	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+NH4"	19.041099
"1477352"	235.0911995	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+NH4"	19.041099
"393035"	925.271818	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Na"	22.989218
"758655"	1376.413118	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Na"	22.989218
"1605659"	474.130518	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na"	22.989218
"318979"	463.139547	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+Na"	23.996494
"712494"	688.710197	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+Na"	23.996494
"1466313"	237.568897	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+Na"	23.996494
"1055549"	158.715023333333	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2H+Na"	25.00377
"1264519"	484.174786	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+CH3OH+H"	33.033486
"382001"	941.245758	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+K"	38.963158
"746277"	1392.387058	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+K"	38.963158
"1549423"	490.104458	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K"	38.963158
"310973"	471.126517	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+H+K"	39.970434
"697931"	696.697167	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+H+K"	39.970434
"1453936"	245.555867	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+K"	39.970434
"246912"	944.316426	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+ACN+H"	42.033826
"1219622"	493.175126	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+H"	42.033826
"1206785"	247.091201	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+2H"	43.041102
"201482"	947.25376	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Na-H"	44.97116
"643476"	1398.39506	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Na-H"	44.97116
"1143818"	496.11246	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Na-H"	44.97116
"185289"	474.130518	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2Na"	45.978436
"625821"	699.701168	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2Na"	45.978436
"1129205"	248.559868	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2Na"	45.978436
"1412733"	166.042337333333	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+2Na"	46.985712
"1444485"	498.154046	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+HCOOH"	47.012746
"234181"	479.16354	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+3H2O+2H"	56.04448
"1522364"	512.20609	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+IsoProp+H"	61.06479
"423631"	482.117488	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+Na+K"	61.952376
"785108"	707.688138	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+Na+K"	61.952376
"1679127"	256.546838	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+K"	61.952376
"265526"	966.298368	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+ACN+Na"	64.015768
"1238364"	515.157068	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+ACN+Na"	64.015768
"1722877"	515.180593	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4+HCOOH"	64.039293
"1188597"	173.369651333333	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3Na"	68.967654
"1659588"	520.135988	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+HCOOH"	68.994688
"167543"	979.20164	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2K-H"	76.91904
"602726"	1430.34294	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2K-H"	76.91904
"1089426"	528.06034	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K-H"	76.91904
"145151"	490.104458	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"2M+2K"	77.926316
"583978"	715.675108	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"3M+2K"	77.926316
"1070314"	264.533808	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K"	77.926316
"1101340"	530.074892	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2K+H"	78.933592
"1336384"	530.162507	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+DMSO+H"	79.021207
"1017186"	534.201676	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2ACN+H"	83.060376
"1529843"	535.195308	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+IsoProp+Na+H"	84.054008
"994104"	267.604476	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+2ACN+2H"	84.067652
"1591889"	536.109928	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K+HCOOH"	84.968628
"1417549"	566.141438	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+H+CF3COOH"	115.000138
"1148930"	288.117751	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+3ACN+2H"	125.094202
"1701766"	583.167985	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+NH4+CF3COOH"	132.026685
"1641791"	588.12338	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+Na+CF3COOH"	136.98208
"1573068"	604.09732	"C14793"	"(1R)-Glutathionyl-(2R)-hydroxy-12-dihydronaphthalene"	"C20H25N3O7S"	"451.1413"	"M+K+CF3COOH"	152.95602
"815467"	326.2093	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M"	0
"986814"	307.19091	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-H2O-H"	-19.01839
"75790"	216.465590666667	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M-3H"	-3.021828
"512434"	325.202024	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M-3H"	-3.021828
"880631"	107.729157333333	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-3H"	-3.021828
"298"	325.202024	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M-2H"	-2.014552
"442895"	488.306674	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M-2H"	-2.014552
"818389"	162.097374	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-2H"	-2.014552
"80567"	651.411324	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M-H"	-1.007276
"520011"	977.620624	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M-H"	-1.007276
"905714"	325.202024	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-H"	-1.007276
"53162"	668.437871	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M-2H+NH4"	16.019271
"499650"	994.647171	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M-2H+NH4"	16.019271
"871984"	342.228571	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-2H+NH4"	16.019271
"42443"	673.393266	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M-2H+Na"	20.974666
"479448"	999.602566	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M-2H+Na"	20.974666
"860168"	347.183966	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-2H+Na"	20.974666
"1630065"	347.183966	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Na-2H"	20.974666
"98940"	343.190363	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M-H+Cl"	33.962126
"538502"	506.295013	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M-H+Cl"	33.962126
"934203"	180.085713	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-H+Cl"	33.962126
"276038"	687.388002	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+Cl"	34.969402
"670646"	1013.597302	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+Cl"	34.969402
"1283053"	361.178702	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Cl"	34.969402
"24518"	689.367206	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M-2H+K"	36.948606
"465172"	1015.576506	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M-2H+K"	36.948606
"842973"	363.157906	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-2H+K"	36.948606
"1564275"	363.157906	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+K-2H"	36.948606
"951063"	371.207494	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-H+HCOOH"	44.998194
"374748"	697.416801	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+HCOOH-H"	44.998201
"358632"	711.432451	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+Hac-H"	59.013851
"1503817"	385.223151	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Hac-H"	59.013851
"972088"	393.189451	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-H+NaCOOH"	66.980151
"121725"	361.178702	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+2Cl"	69.938804
"559097"	524.283352	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+2Cl"	69.938804
"1032270"	198.074052	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2Cl"	69.938804
"1254035"	405.128185	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Br"	78.918885
"1315390"	407.184172	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Cl+HCOOH"	80.974872
"1328513"	429.166129	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Cl+NaCOOH"	102.956829
"919573"	439.194886	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M-H+CF3COOH"	112.985586
"1291907"	475.171564	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Cl+CF3COOH"	148.962264
"1371163"	291.196624	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H-2H2O"	-35.012676
"1384285"	309.2066	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H-H2O"	-17.0027
"289445"	653.425876	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+H"	1.007276
"681865"	979.635176	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+H"	1.007276
"1354931"	327.216576	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H"	1.007276
"130009"	327.216576	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+2H"	2.014552
"572849"	490.321226	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+2H"	2.014552
"1039827"	164.111926	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2H"	2.014552
"216116"	218.480142666667	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+3H"	3.021828
"653488"	327.216576	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+3H"	3.021828
"1172709"	109.743709333333	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+3H"	3.021828
"426872"	670.452423	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+NH4"	18.033823
"787507"	996.661723	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+NH4"	18.033823
"1683104"	344.243123	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+NH4"	18.033823
"331752"	335.7298495	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+H+NH4"	19.041099
"725027"	498.8344995	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+H+NH4"	19.041099
"1478724"	172.6251995	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H+NH4"	19.041099
"393512"	675.407818	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+Na"	22.989218
"759858"	1001.617118	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+Na"	22.989218
"1607957"	349.198518	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Na"	22.989218
"320182"	338.207547	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+H+Na"	23.996494
"714790"	501.312197	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+H+Na"	23.996494
"1465694"	175.102897	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H+Na"	23.996494
"1054564"	117.071023333333	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2H+Na"	25.00377
"1263535"	359.242786	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+CH3OH+H"	33.033486
"382111"	691.381758	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+K"	38.963158
"747480"	1017.591058	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+K"	38.963158
"1549533"	365.172458	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+K"	38.963158
"312176"	346.194517	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+H+K"	39.970434
"702413"	509.299167	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+H+K"	39.970434
"1454047"	183.089867	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H+K"	39.970434
"244835"	694.452426	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+ACN+H"	42.033826
"1221918"	368.243126	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+ACN+H"	42.033826
"1205802"	184.625201	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+ACN+2H"	43.041102
"202685"	697.38976	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+2Na-H"	44.97116
"643464"	1023.59906	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+2Na-H"	44.97116
"1146243"	371.18046	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2Na-H"	44.97116
"185278"	349.198518	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+2Na"	45.978436
"622772"	512.303168	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+2Na"	45.978436
"1130653"	186.093868	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2Na"	45.978436
"1413208"	124.398337333333	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H+2Na"	46.985712
"1444233"	373.222046	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H+HCOOH"	47.012746
"234780"	354.23154	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+3H2O+2H"	56.04448
"1522963"	387.27409	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+IsoProp+H"	61.06479
"423620"	357.185488	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+Na+K"	61.952376
"784856"	520.290138	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+Na+K"	61.952376
"1679480"	194.080838	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Na+K"	61.952376
"265636"	716.434368	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+ACN+Na"	64.015768
"1237745"	390.225068	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+ACN+Na"	64.015768
"1721167"	390.248593	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+NH4+HCOOH"	64.039293
"1188711"	131.725651333333	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+3Na"	68.967654
"1659695"	395.203988	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Na+HCOOH"	68.994688
"168745"	729.33764	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+2K-H"	76.91904
"603928"	1055.54694	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+2K-H"	76.91904
"1089536"	403.12834	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2K-H"	76.91904
"146353"	365.172458	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"2M+2K"	77.926316
"585913"	528.277108	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"3M+2K"	77.926316
"1069573"	202.067808	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2K"	77.926316
"1103638"	405.142892	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2K+H"	78.933592
"1337102"	405.230507	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+DMSO+H"	79.021207
"1007456"	409.269676	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2ACN+H"	83.060376
"1531048"	410.263308	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+IsoProp+Na+H"	84.054008
"995308"	205.138476	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+2ACN+2H"	84.067652
"1587501"	411.177928	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+K+HCOOH"	84.968628
"1417659"	441.209438	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+H+CF3COOH"	115.000138
"1149404"	225.651751	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+3ACN+2H"	125.094202
"1700782"	458.235985	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+NH4+CF3COOH"	132.026685
"1638621"	463.19138	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+Na+CF3COOH"	136.98208
"1571720"	479.16532	"C14794"	"23-Dinor-8-iso prostaglandin F2alpha;23-Dinor-8-iso PGF2alpha"	"C18H30O5"	"326.2093"	"M+K+CF3COOH"	152.95602
"816590"	328.225	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M"	0
"989482"	309.20661	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-H2O-H"	-19.01839
"75169"	217.809390666667	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M-3H"	-3.021828
"513636"	327.217724	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M-3H"	-3.021828
"880986"	108.401057333333	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-3H"	-3.021828
"652"	327.217724	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M-2H"	-2.014552
"445191"	491.330224	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M-2H"	-2.014552
"818624"	163.105224	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-2H"	-2.014552
"82987"	655.442724	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M-H"	-1.007276
"520117"	983.667724	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M-H"	-1.007276
"898168"	327.217724	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-H"	-1.007276
"52908"	672.469271	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M-2H+NH4"	16.019271
"499760"	1000.694271	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M-2H+NH4"	16.019271
"872094"	344.244271	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-2H+NH4"	16.019271
"42184"	677.424666	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M-2H+Na"	20.974666
"475181"	1005.649666	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M-2H+Na"	20.974666
"857362"	349.199666	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-2H+Na"	20.974666
"1629081"	349.199666	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Na-2H"	20.974666
"101238"	345.206063	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M-H+Cl"	33.962126
"537518"	509.318563	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M-H+Cl"	33.962126
"936500"	181.093563	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-H+Cl"	33.962126
"277243"	691.419402	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+Cl"	34.969402
"672943"	1019.644402	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+Cl"	34.969402
"1286080"	363.194402	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Cl"	34.969402
"26814"	693.398606	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M-2H+K"	36.948606
"462000"	1021.623606	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M-2H+K"	36.948606
"843083"	365.173606	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-2H+K"	36.948606
"1564385"	365.173606	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+K-2H"	36.948606
"951172"	373.223194	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-H+HCOOH"	44.998194
"373399"	701.448201	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+HCOOH-H"	44.998201
"355459"	715.463851	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+Hac-H"	59.013851
"1502835"	387.238851	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Hac-H"	59.013851
"966365"	395.205151	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-H+NaCOOH"	66.980151
"124022"	363.194402	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+2Cl"	69.938804
"560300"	527.306902	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+2Cl"	69.938804
"1030193"	199.081902	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2Cl"	69.938804
"1251958"	407.143885	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Br"	78.918885
"1313313"	409.199872	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Cl+HCOOH"	80.974872
"1328623"	431.181829	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Cl+NaCOOH"	102.956829
"915308"	441.210586	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M-H+CF3COOH"	112.985586
"1297486"	477.187264	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Cl+CF3COOH"	148.962264
"1371273"	293.212324	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H-2H2O"	-35.012676
"1383423"	311.2223	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H-H2O"	-17.0027
"288462"	657.457276	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+H"	1.007276
"680154"	985.682276	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+H"	1.007276
"1355044"	329.232276	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H"	1.007276
"129754"	329.232276	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+2H"	2.014552
"570043"	493.344776	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+2H"	2.014552
"1040667"	165.119776	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2H"	2.014552
"214040"	219.823942666667	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+3H"	3.021828
"652505"	329.232276	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+3H"	3.021828
"1170268"	110.415609333333	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+3H"	3.021828
"427353"	674.483823	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+NH4"	18.033823
"787618"	1002.708823	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+NH4"	18.033823
"1684673"	346.258823	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+NH4"	18.033823
"331861"	337.7455495	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+H+NH4"	19.041099
"724652"	501.8580495	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+H+NH4"	19.041099
"1477616"	173.6330495	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H+NH4"	19.041099
"393502"	679.439218	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+Na"	22.989218
"758874"	1007.664218	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+Na"	22.989218
"1606973"	351.214218	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Na"	22.989218
"318104"	340.223247	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+H+Na"	23.996494
"713806"	504.335747	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+H+Na"	23.996494
"1466533"	176.110747	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H+Na"	23.996494
"1054674"	117.742923333333	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2H+Na"	25.00377
"1263645"	361.258486	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+CH3OH+H"	33.033486
"382221"	695.413158	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+K"	38.963158
"740664"	1023.638158	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+K"	38.963158
"1549643"	367.188158	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+K"	38.963158
"311193"	348.210217	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+H+K"	39.970434
"693045"	512.322717	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+H+K"	39.970434
"1448689"	184.097717	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H+K"	39.970434
"241665"	698.483826	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+ACN+H"	42.033826
"1218748"	370.258826	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+ACN+H"	42.033826
"1207006"	185.633051	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+ACN+2H"	43.041102
"200969"	701.42116	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+2Na-H"	44.97116
"642717"	1029.64616	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+2Na-H"	44.97116
"1146555"	373.19616	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2Na-H"	44.97116
"187098"	351.214218	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+2Na"	45.978436
"628192"	515.326718	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+2Na"	45.978436
"1131003"	187.101718	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2Na"	45.978436
"1412710"	125.070237333333	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H+2Na"	46.985712
"1444219"	375.237746	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H+HCOOH"	47.012746
"235131"	356.24724	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+3H2O+2H"	56.04448
"1522586"	389.28979	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+IsoProp+H"	61.06479
"423607"	359.201188	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+Na+K"	61.952376
"785289"	523.313688	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+Na+K"	61.952376
"1679711"	195.088688	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Na+K"	61.952376
"265503"	720.465768	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+ACN+Na"	64.015768
"1238583"	392.240768	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+ACN+Na"	64.015768
"1723463"	392.264293	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+NH4+HCOOH"	64.039293
"1191979"	132.397551333333	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+3Na"	68.967654
"1659807"	397.219688	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Na+HCOOH"	68.994688
"168857"	733.36904	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+2K-H"	76.91904
"609510"	1061.59404	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+2K-H"	76.91904
"1098395"	405.14404	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2K-H"	76.91904
"151932"	367.188158	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"2M+2K"	77.926316
"584932"	531.300658	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"3M+2K"	77.926316
"1071628"	203.075658	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2K"	77.926316
"1105934"	407.158592	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2K+H"	78.933592
"1337942"	407.246207	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+DMSO+H"	79.021207
"1009753"	411.285376	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2ACN+H"	83.060376
"1526783"	412.279008	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+IsoProp+Na+H"	84.054008
"997606"	206.146326	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+2ACN+2H"	84.067652
"1592108"	413.193628	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+K+HCOOH"	84.968628
"1418862"	443.225138	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+H+CF3COOH"	115.000138
"1149515"	226.659601	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+3ACN+2H"	125.094202
"1699799"	460.251685	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+NH4+CF3COOH"	132.026685
"1638731"	465.20708	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+Na+CF3COOH"	136.98208
"1576570"	481.18102	"C14795"	"23-Dinor-8-iso prostaglandin F1alpha;23-Dinor-8-iso PGF1alpha"	"C18H32O5"	"328.225"	"M+K+CF3COOH"	152.95602
"816539"	307.0878	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M"	0
"989223"	288.06941	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H2O-H"	-19.01839
"73093"	203.717924	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-3H"	-3.021828
"508280"	306.080524	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-3H"	-3.021828
"881341"	101.355324	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-3H"	-3.021828
"2463"	306.080524	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H"	-2.014552
"444573"	459.624424	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H"	-2.014552
"823103"	152.536624	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H"	-2.014552
"84188"	613.168324	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-H"	-1.007276
"520838"	920.256124	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-H"	-1.007276
"903747"	306.080524	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H"	-1.007276
"48764"	630.194871	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+NH4"	16.019271
"499870"	937.282671	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+NH4"	16.019271
"872204"	323.107071	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+NH4"	16.019271
"41201"	635.150266	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+Na"	20.974666
"474927"	942.238066	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+Na"	20.974666
"858566"	328.062466	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+Na"	20.974666
"1629192"	328.062466	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na-2H"	20.974666
"101348"	324.068863	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-H+Cl"	33.962126
"540910"	477.612763	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-H+Cl"	33.962126
"938797"	170.524963	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+Cl"	33.962126
"280633"	649.145002	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Cl"	34.969402
"672689"	956.232802	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Cl"	34.969402
"1284367"	342.057202	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl"	34.969402
"26924"	651.124206	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+K"	36.948606
"459924"	958.212006	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+K"	36.948606
"839914"	344.036406	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+K"	36.948606
"1565587"	344.036406	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K-2H"	36.948606
"956754"	352.085994	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+HCOOH"	44.998194
"376756"	659.173801	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+HCOOH-H"	44.998201
"360555"	673.189451	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Hac-H"	59.013851
"1502579"	366.101651	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Hac-H"	59.013851
"973038"	374.067951	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+NaCOOH"	66.980151
"125106"	342.057202	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Cl"	69.938804
"560410"	495.601102	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Cl"	69.938804
"1034677"	188.513302	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Cl"	69.938804
"1253163"	386.006685	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Br"	78.918885
"1314518"	388.062672	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+HCOOH"	80.974872
"1333473"	410.044629	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+NaCOOH"	102.956829
"916511"	420.073386	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+CF3COOH"	112.985586
"1295410"	456.050064	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+CF3COOH"	148.962264
"1372477"	272.075124	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H-2H2O"	-35.012676
"1384505"	290.0851	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H-H2O"	-17.0027
"291852"	615.182876	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H"	1.007276
"685367"	922.270676	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H"	1.007276
"1358434"	308.095076	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H"	1.007276
"132416"	308.095076	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2H"	2.014552
"571976"	461.638976	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2H"	2.014552
"1040777"	154.551176	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2H"	2.014552
"216335"	205.732476	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+3H"	3.021828
"652615"	308.095076	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+3H"	3.021828
"1169651"	103.369876	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3H"	3.021828
"431837"	632.209423	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+NH4"	18.033823
"788095"	939.297223	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+NH4"	18.033823
"1683328"	325.121623	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4"	18.033823
"336350"	316.6083495	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+NH4"	19.041099
"728772"	470.1522495	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+NH4"	19.041099
"1481497"	163.0644495	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+NH4"	19.041099
"397989"	637.164818	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Na"	22.989218
"760078"	944.252618	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Na"	22.989218
"1607083"	330.077018	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na"	22.989218
"321494"	319.086047	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+Na"	23.996494
"713917"	472.629947	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+Na"	23.996494
"1466643"	165.542147	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+Na"	23.996494
"1058065"	110.69719	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2H+Na"	25.00377
"1263755"	340.121286	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+CH3OH+H"	33.033486
"381238"	653.138758	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+K"	38.963158
"742597"	960.226558	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+K"	38.963158
"1547566"	346.050958	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K"	38.963158
"308023"	327.073017	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+K"	39.970434
"696071"	480.616917	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+K"	39.970434
"1450986"	173.529117	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+K"	39.970434
"245055"	656.209426	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+ACN+H"	42.033826
"1218858"	349.121626	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+H"	42.033826
"1206022"	175.064451	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+2H"	43.041102
"199985"	659.14676	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Na-H"	44.97116
"642827"	966.23456	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Na-H"	44.97116
"1146458"	352.05896	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Na-H"	44.97116
"188489"	330.077018	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Na"	45.978436
"628481"	483.620918	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Na"	45.978436
"1131074"	176.533118	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Na"	45.978436
"1413996"	118.024504	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+2Na"	46.985712
"1445421"	354.100546	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+HCOOH"	47.012746
"235449"	335.11004	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+3H2O+2H"	56.04448
"1524013"	368.15259	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+IsoProp+H"	61.06479
"423466"	338.063988	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Na+K"	61.952376
"785192"	491.607888	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Na+K"	61.952376
"1677634"	184.520088	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+K"	61.952376
"261965"	678.191368	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+ACN+Na"	64.015768
"1240152"	371.103568	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+Na"	64.015768
"1725763"	371.127093	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4+HCOOH"	64.039293
"1190026"	125.351818	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3Na"	68.967654
"1662105"	376.082488	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+HCOOH"	68.994688
"171765"	691.09464	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2K-H"	76.91904
"612542"	998.18244	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2K-H"	76.91904
"1099357"	384.00684	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K-H"	76.91904
"156173"	346.050958	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2K"	77.926316
"583947"	499.594858	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2K"	77.926316
"1071739"	192.507058	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K"	77.926316
"1104952"	386.021392	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K+H"	78.933592
"1340241"	386.109007	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+DMSO+H"	79.021207
"1010957"	390.148176	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2ACN+H"	83.060376
"1526896"	391.141808	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+IsoProp+Na+H"	84.054008
"994436"	195.577726	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2ACN+2H"	84.067652
"1591128"	392.056428	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K+HCOOH"	84.968628
"1417881"	422.087938	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+CF3COOH"	115.000138
"1152547"	216.091001	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3ACN+2H"	125.094202
"1709754"	439.114485	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4+CF3COOH"	132.026685
"1648563"	444.06988	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+CF3COOH"	136.98208
"1576680"	460.04382	"C14796"	"(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K+CF3COOH"	152.95602
"813611"	307.0878	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M"	0
"984960"	288.06941	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H2O-H"	-19.01839
"74297"	203.717924	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-3H"	-3.021828
"512763"	306.080524	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-3H"	-3.021828
"880480"	101.355324	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-3H"	-3.021828
"1482"	306.080524	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H"	-2.014552
"441039"	459.624424	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H"	-2.014552
"819209"	152.536624	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H"	-2.014552
"81023"	613.168324	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-H"	-1.007276
"521315"	920.256124	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-H"	-1.007276
"899484"	306.080524	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H"	-1.007276
"48389"	630.194871	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+NH4"	16.019271
"492325"	937.282671	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+NH4"	16.019271
"870491"	323.107071	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+NH4"	16.019271
"42405"	635.150266	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+Na"	20.974666
"475037"	942.238066	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+Na"	20.974666
"859771"	328.062466	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+Na"	20.974666
"1629302"	328.062466	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na-2H"	20.974666
"98543"	324.068863	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-H+Cl"	33.962126
"543207"	477.612763	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-H+Cl"	33.962126
"940001"	170.524963	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+Cl"	33.962126
"280743"	649.145002	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Cl"	34.969402
"673163"	956.232802	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Cl"	34.969402
"1282291"	342.057202	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl"	34.969402
"27034"	651.124206	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+K"	36.948606
"458943"	958.212006	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+K"	36.948606
"836744"	344.036406	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+K"	36.948606
"1561691"	344.036406	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K-2H"	36.948606
"948114"	352.085994	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+HCOOH"	44.998194
"371798"	659.173801	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+HCOOH-H"	44.998201
"354588"	673.189451	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Hac-H"	59.013851
"1503422"	366.101651	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Hac-H"	59.013851
"965499"	374.067951	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+NaCOOH"	66.980151
"118776"	342.057202	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Cl"	69.938804
"559428"	495.601102	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Cl"	69.938804
"1031509"	188.513302	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Cl"	69.938804
"1245620"	386.006685	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Br"	78.918885
"1305883"	388.062672	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+HCOOH"	80.974872
"1325566"	410.044629	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+NaCOOH"	102.956829
"914437"	420.073386	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+CF3COOH"	112.985586
"1293334"	456.050064	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+CF3COOH"	148.962264
"1374777"	272.075124	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H-2H2O"	-35.012676
"1382770"	290.0851	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H-H2O"	-17.0027
"291960"	615.182876	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H"	1.007276
"688393"	922.270676	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H"	1.007276
"1355266"	308.095076	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H"	1.007276
"128881"	308.095076	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2H"	2.014552
"570997"	461.638976	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2H"	2.014552
"1043077"	154.551176	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2H"	2.014552
"212075"	205.732476	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+3H"	3.021828
"657106"	308.095076	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+3H"	3.021828
"1170853"	103.369876	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3H"	3.021828
"429755"	632.209423	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+NH4"	18.033823
"788568"	939.297223	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+NH4"	18.033823
"1681980"	325.121623	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4"	18.033823
"330627"	316.6083495	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+NH4"	19.041099
"723164"	470.1522495	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+NH4"	19.041099
"1477186"	163.0644495	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+NH4"	19.041099
"394084"	637.164818	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Na"	22.989218
"756903"	944.252618	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Na"	22.989218
"1602806"	330.077018	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na"	22.989218
"317227"	319.086047	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+Na"	23.996494
"708677"	472.629947	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+Na"	23.996494
"1462011"	165.542147	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+Na"	23.996494
"1053676"	110.69719	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2H+Na"	25.00377
"1257541"	340.121286	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+CH3OH+H"	33.033486
"377820"	653.138758	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+K"	38.963158
"738891"	960.226558	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+K"	38.963158
"1549864"	346.050958	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K"	38.963158
"301573"	327.073017	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+K"	39.970434
"697275"	480.616917	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+K"	39.970434
"1451097"	173.529117	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+K"	39.970434
"242980"	656.209426	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+ACN+H"	42.033826
"1215688"	349.121626	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+H"	42.033826
"1203945"	175.064451	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+2H"	43.041102
"201190"	659.14676	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Na-H"	44.97116
"642816"	966.23456	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Na-H"	44.97116
"1145350"	352.05896	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Na-H"	44.97116
"188508"	330.077018	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Na"	45.978436
"628484"	483.620918	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Na"	45.978436
"1129520"	176.533118	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Na"	45.978436
"1412685"	118.024504	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+2Na"	46.985712
"1444438"	354.100546	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+HCOOH"	47.012746
"235643"	335.11004	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+3H2O+2H"	56.04448
"1524110"	368.15259	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+IsoProp+H"	61.06479
"422969"	338.063988	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Na+K"	61.952376
"785619"	491.607888	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Na+K"	61.952376
"1678837"	184.520088	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+K"	61.952376
"265720"	678.191368	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+ACN+Na"	64.015768
"1238803"	371.103568	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+Na"	64.015768
"1724781"	371.127093	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4+HCOOH"	64.039293
"1192324"	125.351818	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3Na"	68.967654
"1665138"	376.082488	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+HCOOH"	68.994688
"172363"	691.09464	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2K-H"	76.91904
"612679"	998.18244	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2K-H"	76.91904
"1099553"	384.00684	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K-H"	76.91904
"156893"	346.050958	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2K"	77.926316
"586246"	499.594858	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2K"	77.926316
"1072943"	192.507058	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K"	77.926316
"1103968"	386.021392	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K+H"	78.933592
"1338164"	386.109007	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+DMSO+H"	79.021207
"1013254"	390.148176	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2ACN+H"	83.060376
"1527006"	391.141808	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+IsoProp+Na+H"	84.054008
"994546"	195.577726	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2ACN+2H"	84.067652
"1590511"	392.056428	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K+HCOOH"	84.968628
"1416902"	422.087938	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+CF3COOH"	115.000138
"1159219"	216.091001	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3ACN+2H"	125.094202
"1709865"	439.114485	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4+CF3COOH"	132.026685
"1647702"	444.06988	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+CF3COOH"	136.98208
"1576790"	460.04382	"C14797"	"(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K+CF3COOH"	152.95602
"815907"	307.0878	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M"	0
"989199"	288.06941	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H2O-H"	-19.01839
"76592"	203.717924	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-3H"	-3.021828
"513965"	306.080524	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-3H"	-3.021828
"879936"	101.355324	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-3H"	-3.021828
"499"	306.080524	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H"	-2.014552
"442971"	459.624424	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H"	-2.014552
"817862"	152.536624	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H"	-2.014552
"80159"	613.168324	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-H"	-1.007276
"521060"	920.256124	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-H"	-1.007276
"899958"	306.080524	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H"	-1.007276
"48863"	630.194871	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+NH4"	16.019271
"492435"	937.282671	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+NH4"	16.019271
"869144"	323.107071	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+NH4"	16.019271
"42515"	635.150266	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+Na"	20.974666
"475147"	942.238066	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+Na"	20.974666
"859880"	328.062466	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+Na"	20.974666
"1626132"	328.062466	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na-2H"	20.974666
"98288"	324.068863	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-H+Cl"	33.962126
"543317"	477.612763	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-H+Cl"	33.962126
"937925"	170.524963	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+Cl"	33.962126
"274292"	649.145002	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Cl"	34.969402
"667806"	956.232802	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Cl"	34.969402
"1280213"	342.057202	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl"	34.969402
"27144"	651.124206	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M-2H+K"	36.948606
"459053"	958.212006	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M-2H+K"	36.948606
"839041"	344.036406	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-2H+K"	36.948606
"1562530"	344.036406	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K-2H"	36.948606
"950411"	352.085994	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+HCOOH"	44.998194
"375188"	659.173801	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+HCOOH-H"	44.998201
"354699"	673.189451	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Hac-H"	59.013851
"1503532"	366.101651	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Hac-H"	59.013851
"968888"	374.067951	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+NaCOOH"	66.980151
"118886"	342.057202	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Cl"	69.938804
"556258"	495.601102	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Cl"	69.938804
"1028339"	188.513302	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Cl"	69.938804
"1245729"	386.006685	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Br"	78.918885
"1305993"	388.062672	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+HCOOH"	80.974872
"1325676"	410.044629	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+NaCOOH"	102.956829
"915639"	420.073386	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M-H+CF3COOH"	112.985586
"1293444"	456.050064	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Cl+CF3COOH"	148.962264
"1373794"	272.075124	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H-2H2O"	-35.012676
"1383384"	290.0851	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H-H2O"	-17.0027
"290977"	615.182876	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H"	1.007276
"679022"	922.270676	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H"	1.007276
"1357562"	308.095076	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H"	1.007276
"125724"	308.095076	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2H"	2.014552
"572200"	461.638976	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2H"	2.014552
"1040999"	154.551176	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2H"	2.014552
"211088"	205.732476	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+3H"	3.021828
"653932"	308.095076	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+3H"	3.021828
"1169868"	103.369876	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3H"	3.021828
"427679"	632.209423	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+NH4"	18.033823
"786490"	939.297223	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+NH4"	18.033823
"1685010"	325.121623	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4"	18.033823
"333289"	316.6083495	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+NH4"	19.041099
"724251"	470.1522495	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+NH4"	19.041099
"1478800"	163.0644495	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+NH4"	19.041099
"394925"	637.164818	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Na"	22.989218
"758106"	944.252618	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Na"	22.989218
"1603289"	330.077018	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na"	22.989218
"318431"	319.086047	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+Na"	23.996494
"707694"	472.629947	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+Na"	23.996494
"1463946"	165.542147	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+Na"	23.996494
"1057920"	110.69719	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2H+Na"	25.00377
"1258505"	340.121286	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+CH3OH+H"	33.033486
"379633"	653.138758	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+K"	38.963158
"738883"	960.226558	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+K"	38.963158
"1551067"	346.050958	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K"	38.963158
"304964"	327.073017	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+H+K"	39.970434
"700665"	480.616917	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+H+K"	39.970434
"1451208"	173.529117	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+K"	39.970434
"243090"	656.209426	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+ACN+H"	42.033826
"1216891"	349.121626	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+H"	42.033826
"1202962"	175.064451	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+2H"	43.041102
"199114"	659.14676	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Na-H"	44.97116
"642319"	966.23456	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Na-H"	44.97116
"1144732"	352.05896	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Na-H"	44.97116
"187298"	330.077018	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2Na"	45.978436
"626856"	483.620918	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2Na"	45.978436
"1127082"	176.533118	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2Na"	45.978436
"1411703"	118.024504	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+2Na"	46.985712
"1445238"	354.100546	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+HCOOH"	47.012746
"235581"	335.11004	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+3H2O+2H"	56.04448
"1523034"	368.15259	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+IsoProp+H"	61.06479
"422351"	338.063988	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+Na+K"	61.952376
"782985"	491.607888	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+Na+K"	61.952376
"1678584"	184.520088	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+K"	61.952376
"262916"	678.191368	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+ACN+Na"	64.015768
"1235634"	371.103568	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+ACN+Na"	64.015768
"1727078"	371.127093	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4+HCOOH"	64.039293
"1193527"	125.351818	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3Na"	68.967654
"1664760"	376.082488	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+HCOOH"	68.994688
"171376"	691.09464	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2K-H"	76.91904
"610932"	998.18244	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2K-H"	76.91904
"1099852"	384.00684	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K-H"	76.91904
"157087"	346.050958	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"2M+2K"	77.926316
"597070"	499.594858	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"3M+2K"	77.926316
"1071960"	192.507058	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K"	77.926316
"1104076"	386.021392	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2K+H"	78.933592
"1338638"	386.109007	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+DMSO+H"	79.021207
"1014458"	390.148176	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2ACN+H"	83.060376
"1529303"	391.141808	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+IsoProp+Na+H"	84.054008
"993927"	195.577726	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+2ACN+2H"	84.067652
"1590257"	392.056428	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K+HCOOH"	84.968628
"1418105"	422.087938	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+H+CF3COOH"	115.000138
"1157142"	216.091001	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+3ACN+2H"	125.094202
"1709975"	439.114485	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+NH4+CF3COOH"	132.026685
"1648784"	444.06988	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+Na+CF3COOH"	136.98208
"1576900"	460.04382	"C14798"	"(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-12-dihydronaphthalene"	"C15H17NO4S"	"307.0878"	"M+K+CF3COOH"	152.95602
"815532"	264.0456	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M"	0
"988092"	245.02721	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-H2O-H"	-19.01839
"75607"	175.023124	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M-3H"	-3.021828
"514075"	263.038324	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M-3H"	-3.021828
"880243"	87.007924	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-3H"	-3.021828
"322"	263.038324	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M-2H"	-2.014552
"441743"	395.061124	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M-2H"	-2.014552
"817972"	131.015524	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-2H"	-2.014552
"79177"	527.083924	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M-H"	-1.007276
"520806"	791.129524	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M-H"	-1.007276
"901161"	263.038324	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-H"	-1.007276
"48609"	544.110471	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M-2H+NH4"	16.019271
"492180"	808.156071	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M-2H+NH4"	16.019271
"869983"	280.064871	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-2H+NH4"	16.019271
"43718"	549.065866	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M-2H+Na"	20.974666
"475987"	813.111466	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M-2H+Na"	20.974666
"857804"	285.020266	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-2H+Na"	20.974666
"1625149"	285.020266	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Na-2H"	20.974666
"98399"	281.026663	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M-H+Cl"	33.962126
"542334"	413.049463	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M-H+Cl"	33.962126
"939128"	149.003863	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-H+Cl"	33.962126
"274402"	563.060602	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+Cl"	34.969402
"667916"	827.106202	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+Cl"	34.969402
"1280323"	299.015002	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Cl"	34.969402
"26161"	565.039806	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M-2H+K"	36.948606
"459163"	829.085406	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M-2H+K"	36.948606
"839151"	300.994206	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-2H+K"	36.948606
"1559359"	300.994206	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+K-2H"	36.948606
"952710"	309.043794	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-H+HCOOH"	44.998194
"367646"	573.089401	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+HCOOH-H"	44.998201
"350070"	587.105051	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+Hac-H"	59.013851
"1498175"	323.059451	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Hac-H"	59.013851
"965716"	331.025751	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-H+NaCOOH"	66.980151
"116810"	299.015002	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+2Cl"	69.938804
"558557"	431.037802	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+2Cl"	69.938804
"1028449"	166.992202	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2Cl"	69.938804
"1249121"	342.964485	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Br"	78.918885
"1307196"	345.020472	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Cl+HCOOH"	80.974872
"1323599"	367.002429	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Cl+NaCOOH"	102.956829
"915748"	377.031186	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M-H+CF3COOH"	112.985586
"1290516"	413.007864	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Cl+CF3COOH"	148.962264
"1373904"	229.032924	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H-2H2O"	-35.012676
"1390308"	247.0429	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H-H2O"	-17.0027
"289994"	529.098476	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+H"	1.007276
"679134"	793.144076	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+H"	1.007276
"1357672"	265.052876	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H"	1.007276
"126670"	265.052876	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+2H"	2.014552
"573407"	397.075676	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+2H"	2.014552
"1044394"	133.030076	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2H"	2.014552
"214484"	177.037676	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+3H"	3.021828
"655137"	265.052876	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+3H"	3.021828
"1167792"	89.022476	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+3H"	3.021828
"431071"	546.125023	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+NH4"	18.033823
"789879"	810.170623	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+NH4"	18.033823
"1685120"	282.079423	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+NH4"	18.033823
"334493"	273.5661495	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+H+NH4"	19.041099
"724482"	405.5889495	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+H+NH4"	19.041099
"1478910"	141.5433495	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H+NH4"	19.041099
"397224"	551.080418	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+Na"	22.989218
"760404"	815.126018	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+Na"	22.989218
"1606316"	287.034818	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Na"	22.989218
"320729"	276.043847	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+H+Na"	23.996494
"708777"	408.066647	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+H+Na"	23.996494
"1464785"	144.021047	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H+Na"	23.996494
"1062405"	96.34979	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2H+Na"	25.00377
"1257636"	297.079086	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+CH3OH+H"	33.033486
"379014"	567.054358	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+K"	38.963158
"743656"	831.099958	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+K"	38.963158
"1550084"	303.008758	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+K"	38.963158
"306167"	284.030817	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+H+K"	39.970434
"702234"	416.053617	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+H+K"	39.970434
"1451681"	152.008017	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H+K"	39.970434
"243200"	570.125026	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+ACN+H"	42.033826
"1217001"	306.079426	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+ACN+H"	42.033826
"1205259"	153.543351	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+ACN+2H"	43.041102
"200682"	573.06236	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+2Na-H"	44.97116
"642917"	837.10796	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+2Na-H"	44.97116
"1145207"	309.01676	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2Na-H"	44.97116
"186678"	287.034818	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+2Na"	45.978436
"626968"	419.057618	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+2Na"	45.978436
"1129379"	155.012018	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2Na"	45.978436
"1411082"	103.677104	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H+2Na"	46.985712
"1443200"	311.058346	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H+HCOOH"	47.012746
"234962"	292.06784	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+3H2O+2H"	56.04448
"1520957"	325.11039	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+IsoProp+H"	61.06479
"419911"	295.021788	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+Na+K"	61.952376
"781998"	427.044588	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+Na+K"	61.952376
"1676143"	162.998988	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Na+K"	61.952376
"261205"	592.106968	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+ACN+Na"	64.015768
"1236837"	328.061368	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+ACN+Na"	64.015768
"1723910"	328.084893	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+NH4+HCOOH"	64.039293
"1191449"	111.004418	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+3Na"	68.967654
"1663529"	333.040288	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Na+HCOOH"	68.994688
"171484"	605.01024	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+2K-H"	76.91904
"608855"	869.05584	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+2K-H"	76.91904
"1099444"	340.96464	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2K-H"	76.91904
"154556"	303.008758	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"2M+2K"	77.926316
"596190"	435.031558	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"3M+2K"	77.926316
"1073164"	170.985958	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2K"	77.926316
"1105279"	342.979192	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2K+H"	78.933592
"1338384"	343.066807	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+DMSO+H"	79.021207
"1012383"	347.105976	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2ACN+H"	83.060376
"1529413"	348.099608	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+IsoProp+Na+H"	84.054008
"994766"	174.056626	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+2ACN+2H"	84.067652
"1594742"	349.014228	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+K+HCOOH"	84.968628
"1417120"	379.045738	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+H+CF3COOH"	115.000138
"1160532"	194.569901	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+3ACN+2H"	125.094202
"1710085"	396.072285	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+NH4+CF3COOH"	132.026685
"1649381"	401.02768	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+Na+CF3COOH"	136.98208
"1580290"	417.00162	"C14799"	"(1R2R)-3-(12-Dihydro-2-hydroxy-1-naphthalenyl)thio-2-oxopropanoic acid"	"C13H12O4S"	"264.0456"	"M+K+CF3COOH"	152.95602
"816127"	189.0426	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M"	0
"989646"	170.02421	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-H2O-H"	-19.01839
"78193"	125.021124	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M-3H"	-3.021828
"516375"	188.035324	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M-3H"	-3.021828
"882145"	62.006924	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-3H"	-3.021828
"3999"	188.035324	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M-2H"	-2.014552
"443560"	282.556624	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M-2H"	-2.014552
"821360"	93.514024	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-2H"	-2.014552
"83174"	377.077924	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M-H"	-1.007276
"522738"	566.120524	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M-H"	-1.007276
"903094"	188.035324	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-H"	-1.007276
"50541"	394.104471	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M-2H+NH4"	16.019271
"492290"	583.147071	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M-2H+NH4"	16.019271
"870822"	205.061871	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-2H+NH4"	16.019271
"43828"	399.059866	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M-2H+Na"	20.974666
"476097"	588.102466	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M-2H+Na"	20.974666
"861193"	210.017266	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-2H+Na"	20.974666
"1631455"	210.017266	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Na-2H"	20.974666
"105069"	206.023663	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M-H+Cl"	33.962126
"546818"	300.544963	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M-H+Cl"	33.962126
"940331"	111.502363	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-H+Cl"	33.962126
"278885"	413.054602	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+Cl"	34.969402
"668026"	602.097202	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+Cl"	34.969402
"1285901"	224.012002	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Cl"	34.969402
"27365"	415.033806	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M-2H+K"	36.948606
"464739"	604.076406	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M-2H+K"	36.948606
"842542"	225.991206	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-2H+K"	36.948606
"1564936"	225.991206	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+K-2H"	36.948606
"952821"	234.040794	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-H+HCOOH"	44.998194
"367756"	423.083401	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+HCOOH-H"	44.998201
"351639"	437.099051	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+Hac-H"	59.013851
"1500472"	248.056451	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Hac-H"	59.013851
"966920"	256.022751	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-H+NaCOOH"	66.980151
"116921"	224.012002	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+2Cl"	69.938804
"556481"	318.533302	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+2Cl"	69.938804
"1030747"	129.490702	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2Cl"	69.938804
"1249230"	267.961485	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Br"	78.918885
"1314959"	270.017472	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Cl+HCOOH"	80.974872
"1329175"	291.999429	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Cl+NaCOOH"	102.956829
"918044"	302.028186	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M-H+CF3COOH"	112.985586
"1290747"	338.004864	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Cl+CF3COOH"	148.962264
"1372920"	154.029924	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H-2H2O"	-35.012676
"1393698"	172.0399	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H-H2O"	-17.0027
"290104"	379.092476	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+H"	1.007276
"683618"	568.135076	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+H"	1.007276
"1359969"	190.049876	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H"	1.007276
"128846"	190.049876	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+2H"	2.014552
"574609"	284.571176	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+2H"	2.014552
"1043411"	95.528576	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2H"	2.014552
"210220"	127.035676	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+3H"	3.021828
"647957"	190.049876	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+3H"	3.021828
"1168266"	64.021476	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+3H"	3.021828
"433368"	396.119023	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+NH4"	18.033823
"789989"	585.161623	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+NH4"	18.033823
"1687418"	207.076423	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+NH4"	18.033823
"336790"	198.5631495	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+H+NH4"	19.041099
"724836"	293.0844495	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+H+NH4"	19.041099
"1481936"	104.0418495	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H+NH4"	19.041099
"399521"	401.074418	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+Na"	22.989218
"763795"	590.117018	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+Na"	22.989218
"1609707"	212.031818	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Na"	22.989218
"321932"	201.040847	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+H+Na"	23.996494
"713261"	295.562147	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+H+Na"	23.996494
"1470361"	106.519547	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H+Na"	23.996494
"1062514"	71.34879	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2H+Na"	25.00377
"1264193"	222.076086	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+CH3OH+H"	33.033486
"386051"	417.048358	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+K"	38.963158
"749234"	606.090958	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+K"	38.963158
"1553110"	228.005758	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+K"	38.963158
"305183"	209.027817	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+H+K"	39.970434
"704531"	303.549117	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+H+K"	39.970434
"1451062"	114.506517	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H+K"	39.970434
"243673"	420.119026	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+ACN+H"	42.033826
"1217475"	231.076426	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+ACN+H"	42.033826
"1204276"	116.041851	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+ACN+2H"	43.041102
"201157"	423.05636	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+2Na-H"	44.97116
"643151"	612.09896	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+2Na-H"	44.97116
"1145929"	234.01376	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2Na-H"	44.97116
"184238"	212.031818	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+2Na"	45.978436
"625621"	306.553118	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+2Na"	45.978436
"1128394"	117.510518	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2Na"	45.978436
"1409737"	78.676104	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H+2Na"	46.985712
"1443311"	236.055346	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H+HCOOH"	47.012746
"233002"	217.06484	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+3H2O+2H"	56.04448
"1522159"	250.10739	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+IsoProp+H"	61.06479
"421114"	220.018788	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+Na+K"	61.952376
"782835"	314.540088	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+Na+K"	61.952376
"1677348"	125.497488	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Na+K"	61.952376
"261314"	442.100968	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+ACN+Na"	64.015768
"1237675"	253.058368	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+ACN+Na"	64.015768
"1719646"	253.081893	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+NH4+HCOOH"	64.039293
"1187186"	86.003418	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+3Na"	68.967654
"1661453"	258.037288	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Na+HCOOH"	68.994688
"169407"	455.00424	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+2K-H"	76.91904
"607872"	644.04684	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+2K-H"	76.91904
"1097610"	265.96164	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2K-H"	76.91904
"153573"	228.005758	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"2M+2K"	77.926316
"595932"	322.527058	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"3M+2K"	77.926316
"1074368"	133.484458	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2K"	77.926316
"1106482"	267.976192	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2K+H"	78.933592
"1340682"	268.063807	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+DMSO+H"	79.021207
"1012493"	272.102976	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2ACN+H"	83.060376
"1529523"	273.096608	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+IsoProp+Na+H"	84.054008
"991596"	136.555126	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+2ACN+2H"	84.067652
"1594852"	274.011228	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+K+HCOOH"	84.968628
"1417230"	304.042738	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+H+CF3COOH"	115.000138
"1160642"	157.068401	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+3ACN+2H"	125.094202
"1710195"	321.069285	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+NH4+CF3COOH"	132.026685
"1649491"	326.02468	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+Na+CF3COOH"	136.98208
"1580400"	341.99862	"C14800"	"1-Nitronaphthalene-56-oxide"	"C10H7NO3"	"189.0426"	"M+K+CF3COOH"	152.95602
"815873"	207.0532	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M"	0
"985396"	188.03481	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-H2O-H"	-19.01839
"78553"	137.028190666667	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M-3H"	-3.021828
"518480"	206.045924	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M-3H"	-3.021828
"882620"	68.0104573333333	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-3H"	-3.021828
"3017"	206.045924	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M-2H"	-2.014552
"442575"	309.572524	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M-2H"	-2.014552
"817827"	102.519324	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-2H"	-2.014552
"80735"	413.099124	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M-H"	-1.007276
"521391"	620.152324	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M-H"	-1.007276
"898831"	206.045924	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-H"	-1.007276
"49556"	430.125671	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M-2H+NH4"	16.019271
"492765"	637.178871	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M-2H+NH4"	16.019271
"871661"	223.072471	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-2H+NH4"	16.019271
"45031"	435.081066	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M-2H+Na"	20.974666
"478029"	642.134266	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M-2H+Na"	20.974666
"861303"	228.027866	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-2H+Na"	20.974666
"1631929"	228.027866	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Na-2H"	20.974666
"105179"	224.034263	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M-H+Cl"	33.962126
"548021"	327.560863	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M-H+Cl"	33.962126
"941534"	120.507663	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-H+Cl"	33.962126
"277902"	449.075802	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+Cl"	34.969402
"668136"	656.129002	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+Cl"	34.969402
"1284918"	242.022602	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Cl"	34.969402
"27475"	451.055006	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M-2H+K"	36.948606
"467036"	658.108206	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M-2H+K"	36.948606
"843745"	244.001806	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-2H+K"	36.948606
"1565046"	244.001806	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+K-2H"	36.948606
"954023"	252.051394	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-H+HCOOH"	44.998194
"372240"	459.104601	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+HCOOH-H"	44.998201
"353936"	473.120251	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+Hac-H"	59.013851
"1500582"	266.067051	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Hac-H"	59.013851
"967030"	274.033351	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-H+NaCOOH"	66.980151
"119218"	242.022602	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+2Cl"	69.938804
"557684"	345.549202	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+2Cl"	69.938804
"1030857"	138.496002	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2Cl"	69.938804
"1248247"	285.972085	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Br"	78.918885
"1311789"	288.028072	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Cl+HCOOH"	80.974872
"1326005"	310.010029	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Cl+NaCOOH"	102.956829
"917061"	320.038786	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M-H+CF3COOH"	112.985586
"1289400"	356.015464	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Cl+CF3COOH"	148.962264
"1374123"	172.040524	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H-2H2O"	-35.012676
"1392715"	190.0505	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H-H2O"	-17.0027
"289120"	415.113676	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+H"	1.007276
"683728"	622.166876	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+H"	1.007276
"1358985"	208.060476	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H"	1.007276
"128227"	208.060476	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+2H"	2.014552
"569243"	311.587076	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+2H"	2.014552
"1041698"	104.533876	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2H"	2.014552
"207045"	139.042742666667	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+3H"	3.021828
"647334"	208.060476	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+3H"	3.021828
"1168010"	70.0250093333333	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+3H"	3.021828
"432382"	432.140223	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+NH4"	18.033823
"788277"	639.193423	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+NH4"	18.033823
"1687527"	225.087023	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+NH4"	18.033823
"333619"	216.5737495	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+H+NH4"	19.041099
"724946"	320.1003495	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+H+NH4"	19.041099
"1478766"	113.0471495	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H+NH4"	19.041099
"397078"	437.095618	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+Na"	22.989218
"761719"	644.148818	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+Na"	22.989218
"1608725"	230.042418	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Na"	22.989218
"318762"	219.051447	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+H+Na"	23.996494
"710091"	322.578047	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+H+Na"	23.996494
"1467190"	115.524847	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H+Na"	23.996494
"1060437"	77.3523233333333	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2H+Na"	25.00377
"1265397"	240.086686	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+CH3OH+H"	33.033486
"382881"	453.069558	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+K"	38.963158
"749344"	660.122758	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+K"	38.963158
"1551398"	246.016358	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+K"	38.963158
"305294"	227.038417	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+H+K"	39.970434
"703546"	330.565017	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+H+K"	39.970434
"1448983"	123.511817	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H+K"	39.970434
"239773"	456.140226	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+ACN+H"	42.033826
"1214668"	249.087026	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+ACN+H"	42.033826
"1201106"	125.047151	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+ACN+2H"	43.041102
"195070"	459.07756	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+2Na-H"	44.97116
"640826"	666.13076	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+2Na-H"	44.97116
"1145669"	252.02436	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2Na-H"	44.97116
"187504"	230.042418	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+2Na"	45.978436
"627060"	333.569018	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+2Na"	45.978436
"1124491"	126.515818	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2Na"	45.978436
"1411667"	84.6796373333333	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H+2Na"	46.985712
"1442689"	254.065946	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H+HCOOH"	47.012746
"234204"	235.07544	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+3H2O+2H"	56.04448
"1522264"	268.11799	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+IsoProp+H"	61.06479
"421952"	238.029388	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+Na+K"	61.952376
"778571"	341.555988	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+Na+K"	61.952376
"1677089"	134.502788	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Na+K"	61.952376
"262513"	478.122168	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+ACN+Na"	64.015768
"1238877"	271.068968	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+ACN+Na"	64.015768
"1716475"	271.092493	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+NH4+HCOOH"	64.039293
"1189117"	92.0069513333333	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+3Na"	68.967654
"1657190"	276.047888	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Na+HCOOH"	68.994688
"166238"	491.02544	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+2K-H"	76.91904
"605796"	698.07864	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+2K-H"	76.91904
"1094681"	283.97224	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2K-H"	76.91904
"150404"	246.016358	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"2M+2K"	77.926316
"591056"	349.542958	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"3M+2K"	77.926316
"1071562"	142.489758	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2K"	77.926316
"1105499"	285.986792	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2K+H"	78.933592
"1338604"	286.074407	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+DMSO+H"	79.021207
"1012603"	290.113576	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2ACN+H"	83.060376
"1525987"	291.107208	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+IsoProp+Na+H"	84.054008
"993893"	145.560426	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+2ACN+2H"	84.067652
"1590586"	292.021828	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+K+HCOOH"	84.968628
"1417340"	322.053338	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+H+CF3COOH"	115.000138
"1157472"	166.073701	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+3ACN+2H"	125.094202
"1708117"	339.079885	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+NH4+CF3COOH"	132.026685
"1649234"	344.03528	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+Na+CF3COOH"	136.98208
"1573949"	360.00922	"C14801"	"1-Nitro-56-dihydroxy-dihydronaphthalene;12-Dihydro-5-nitro-12-naphthalenediol"	"C10H9NO4"	"207.0532"	"M+K+CF3COOH"	152.95602
"813067"	189.0426	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M"	0
"985506"	170.02421	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-H2O-H"	-19.01839
"76910"	125.021124	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M-3H"	-3.021828
"516594"	188.035324	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M-3H"	-3.021828
"883456"	62.006924	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-3H"	-3.021828
"3127"	188.035324	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M-2H"	-2.014552
"442686"	282.556624	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M-2H"	-2.014552
"818299"	93.514024	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-2H"	-2.014552
"79992"	377.077924	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M-H"	-1.007276
"519071"	566.120524	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M-H"	-1.007276
"898941"	188.035324	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-H"	-1.007276
"47845"	394.104471	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M-2H+NH4"	16.019271
"491782"	583.147071	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M-2H+NH4"	16.019271
"869584"	205.061871	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-2H+NH4"	16.019271
"42955"	399.059866	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M-2H+Na"	20.974666
"477410"	588.102466	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M-2H+Na"	20.974666
"862506"	210.017266	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-2H+Na"	20.974666
"1632768"	210.017266	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Na-2H"	20.974666
"105289"	206.023663	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M-H+Cl"	33.962126
"548131"	300.544963	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M-H+Cl"	33.962126
"942253"	111.502363	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-H+Cl"	33.962126
"276918"	413.054602	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+Cl"	34.969402
"668246"	602.097202	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+Cl"	34.969402
"1283935"	224.012002	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Cl"	34.969402
"27585"	415.033806	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M-2H+K"	36.948606
"466053"	604.076406	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M-2H+K"	36.948606
"843855"	225.991206	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-2H+K"	36.948606
"1561876"	225.991206	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+K-2H"	36.948606
"951947"	234.040794	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-H+HCOOH"	44.998194
"365789"	423.083401	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+HCOOH-H"	44.998201
"351859"	437.099051	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+Hac-H"	59.013851
"1499598"	248.056451	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Hac-H"	59.013851
"963858"	256.022751	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-H+NaCOOH"	66.980151
"117140"	224.012002	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+2Cl"	69.938804
"557792"	318.533302	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+2Cl"	69.938804
"1030967"	129.490702	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2Cl"	69.938804
"1249450"	267.961485	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Br"	78.918885
"1311899"	270.017472	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Cl+HCOOH"	80.974872
"1326115"	291.999429	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Cl+NaCOOH"	102.956829
"918265"	302.028186	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M-H+CF3COOH"	112.985586
"1291694"	338.004864	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Cl+CF3COOH"	148.962264
"1374233"	154.029924	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H-2H2O"	-35.012676
"1391732"	172.0399	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H-H2O"	-17.0027
"291417"	379.092476	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+H"	1.007276
"686025"	568.135076	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+H"	1.007276
"1356179"	190.049876	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H"	1.007276
"128337"	190.049876	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+2H"	2.014552
"568988"	284.571176	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+2H"	2.014552
"1039612"	95.528576	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2H"	2.014552
"206426"	127.035676	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+3H"	3.021828
"649996"	190.049876	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+3H"	3.021828
"1165567"	64.021476	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+3H"	3.021828
"432492"	396.119023	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+NH4"	18.033823
"795677"	585.161623	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+NH4"	18.033823
"1688730"	207.076423	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+NH4"	18.033823
"337009"	198.5631495	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+H+NH4"	19.041099
"727244"	293.0844495	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+H+NH4"	19.041099
"1482157"	104.0418495	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H+NH4"	19.041099
"396460"	401.074418	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+Na"	22.989218
"760736"	590.117018	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+Na"	22.989218
"1606648"	212.031818	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Na"	22.989218
"317778"	201.040847	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+H+Na"	23.996494
"710201"	295.562147	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+H+Na"	23.996494
"1468394"	106.519547	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H+Na"	23.996494
"1060547"	71.34879	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2H+Na"	25.00377
"1266601"	222.076086	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+CH3OH+H"	33.033486
"382990"	417.048358	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+K"	38.963158
"742893"	606.090958	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+K"	38.963158
"1551508"	228.005758	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+K"	38.963158
"309414"	209.027817	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+H+K"	39.970434
"703657"	303.549117	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+H+K"	39.970434
"1449093"	114.506517	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H+K"	39.970434
"239519"	420.119026	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+ACN+H"	42.033826
"1214413"	231.076426	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+ACN+H"	42.033826
"1201216"	116.041851	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+ACN+2H"	43.041102
"192993"	423.05636	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+2Na-H"	44.97116
"640936"	612.09896	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+2Na-H"	44.97116
"1144079"	234.01376	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2Na-H"	44.97116
"186642"	212.031818	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+2Na"	45.978436
"625835"	306.553118	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+2Na"	45.978436
"1121321"	117.510518	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2Na"	45.978436
"1411411"	78.676104	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H+2Na"	46.985712
"1441707"	236.055346	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H+HCOOH"	47.012746
"233221"	217.06484	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+3H2O+2H"	56.04448
"1521647"	250.10739	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+IsoProp+H"	61.06479
"421334"	220.018788	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+Na+K"	61.952376
"779774"	314.540088	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+Na+K"	61.952376
"1677199"	125.497488	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Na+K"	61.952376
"264810"	442.100968	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+ACN+Na"	64.015768
"1236070"	253.058368	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+ACN+Na"	64.015768
"1719864"	253.081893	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+NH4+HCOOH"	64.039293
"1188863"	86.003418	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+3Na"	68.967654
"1658393"	258.037288	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Na+HCOOH"	68.994688
"166347"	455.00424	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+2K-H"	76.91904
"606999"	644.04684	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+2K-H"	76.91904
"1094791"	265.96164	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2K-H"	76.91904
"152699"	228.005758	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"2M+2K"	77.926316
"592259"	322.527058	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"3M+2K"	77.926316
"1081145"	133.484458	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2K"	77.926316
"1104514"	267.976192	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2K+H"	78.933592
"1341995"	268.063807	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+DMSO+H"	79.021207
"1014900"	272.102976	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2ACN+H"	83.060376
"1526827"	273.096608	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+IsoProp+Na+H"	84.054008
"997284"	136.555126	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+2ACN+2H"	84.067652
"1590696"	274.011228	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+K+HCOOH"	84.968628
"1416721"	304.042738	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+H+CF3COOH"	115.000138
"1157582"	157.068401	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+3ACN+2H"	125.094202
"1708227"	321.069285	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+NH4+CF3COOH"	132.026685
"1642784"	326.02468	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+Na+CF3COOH"	136.98208
"1572236"	341.99862	"C14802"	"1-Nitronaphthalene-78-oxide"	"C10H7NO3"	"189.0426"	"M+K+CF3COOH"	152.95602
"816336"	496.1264	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M"	0
"986709"	477.10801	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H2O-H"	-19.01839
"77992"	329.743657333333	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-3H"	-3.021828
"515611"	495.119124	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-3H"	-3.021828
"881017"	164.368190666667	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-3H"	-3.021828
"2143"	495.119124	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H"	-2.014552
"442796"	743.182324	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H"	-2.014552
"818414"	247.055924	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H"	-2.014552
"80954"	991.245524	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H"	-1.007276
"520518"	1487.371924	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H"	-1.007276
"897955"	495.119124	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H"	-1.007276
"48439"	1008.272071	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+NH4"	16.019271
"489704"	1504.398471	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+NH4"	16.019271
"867142"	512.145671	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+NH4"	16.019271
"37598"	1013.227466	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+Na"	20.974666
"474604"	1509.353866	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+Na"	20.974666
"863590"	517.101066	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+Na"	20.974666
"1629962"	517.101066	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na-2H"	20.974666
"108316"	513.107463	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H+Cl"	33.962126
"543867"	761.170663	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H+Cl"	33.962126
"942364"	265.044263	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+Cl"	33.962126
"278122"	1027.222202	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Cl"	34.969402
"671272"	1523.348602	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Cl"	34.969402
"1284043"	531.095802	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl"	34.969402
"26602"	1029.201406	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+K"	36.948606
"460695"	1525.327806	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+K"	36.948606
"845057"	533.075006	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+K"	36.948606
"1564173"	533.075006	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K-2H"	36.948606
"946590"	541.124594	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+HCOOH"	44.998194
"366992"	1037.251001	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+HCOOH-H"	44.998201
"354153"	1051.266651	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Hac-H"	59.013851
"1500801"	555.140251	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Hac-H"	59.013851
"967247"	563.106551	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+NaCOOH"	66.980151
"118342"	531.095802	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Cl"	69.938804
"560089"	779.159002	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Cl"	69.938804
"1031074"	283.032602	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Cl"	69.938804
"1247372"	575.045285	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Br"	78.918885
"1313102"	577.101272	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+HCOOH"	80.974872
"1325131"	599.083229	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+NaCOOH"	102.956829
"917282"	609.111986	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+CF3COOH"	112.985586
"1293990"	645.088664	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+CF3COOH"	148.962264
"1375436"	461.113724	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-2H2O"	-35.012676
"1394028"	479.1237	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-H2O"	-17.0027
"291527"	993.260076	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H"	1.007276
"685041"	1489.386476	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H"	1.007276
"1355925"	497.133676	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H"	1.007276
"128447"	497.133676	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2H"	2.014552
"569460"	745.196876	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2H"	2.014552
"1041544"	249.070476	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H"	2.014552
"207264"	331.758209333333	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H"	3.021828
"651199"	497.133676	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+3H"	3.021828
"1167862"	166.382742666667	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3H"	3.021828
"432602"	1010.286623	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+NH4"	18.033823
"788133"	1506.413023	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+NH4"	18.033823
"1681379"	514.160223	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4"	18.033823
"332745"	505.6469495	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+NH4"	19.041099
"725167"	753.7101495	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+NH4"	19.041099
"1477279"	257.5837495	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+NH4"	19.041099
"393122"	1015.242018	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na"	22.989218
"759751"	1511.368418	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na"	22.989218
"1606758"	519.115618	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na"	22.989218
"316430"	508.124647	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+Na"	23.996494
"710311"	756.187847	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+Na"	23.996494
"1468504"	260.061447	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+Na"	23.996494
"1057377"	173.710056666667	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H+Na"	25.00377
"1264524"	529.159886	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+CH3OH+H"	33.033486
"380914"	1031.215958	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+K"	38.963158
"743003"	1527.342358	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+K"	38.963158
"1550160"	535.089558	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K"	38.963158
"308066"	516.111617	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+K"	39.970434
"699757"	764.174817	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+K"	39.970434
"1447017"	268.048417	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+K"	39.970434
"236349"	1034.286626	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+H"	42.033826
"1214160"	538.160226	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+H"	42.033826
"1199136"	269.583751	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+2H"	43.041102
"192737"	1037.22396	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na-H"	44.97116
"639224"	1533.35036	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na-H"	44.97116
"1141635"	541.09756	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na-H"	44.97116
"185536"	519.115618	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na"	45.978436
"624120"	767.178818	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na"	45.978436
"1124710"	271.052418	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na"	45.978436
"1404955"	181.037370666667	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+2Na"	46.985712
"1443636"	543.139146	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+HCOOH"	47.012746
"232967"	524.14864	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H2O+2H"	56.04448
"1520297"	557.19119	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+H"	61.06479
"421444"	527.102588	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na+K"	61.952376
"782071"	775.165788	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na+K"	61.952376
"1677308"	279.039388	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+K"	61.952376
"262733"	1056.268568	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+Na"	64.015768
"1238366"	560.142168	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+Na"	64.015768
"1724346"	560.165693	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+HCOOH"	64.039293
"1190795"	188.364684666667	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3Na"	68.967654
"1660689"	565.121088	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+HCOOH"	68.994688
"166457"	1069.17184	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K-H"	76.91904
"607109"	1565.29824	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K-H"	76.91904
"1094900"	573.04544	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K-H"	76.91904
"150622"	535.089558	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K"	77.926316
"593462"	783.152758	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K"	77.926316
"1081255"	287.026358	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K"	77.926316
"1104625"	575.059992	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K+H"	78.933592
"1343198"	575.147607	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+DMSO+H"	79.021207
"1015010"	579.186776	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+H"	83.060376
"1526573"	580.180408	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+Na+H"	84.054008
"997394"	290.097026	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+2H"	84.067652
"1590806"	581.095028	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+HCOOH"	84.968628
"1417560"	611.126538	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+CF3COOH"	115.000138
"1154412"	310.610301	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3ACN+2H"	125.094202
"1705057"	628.153085	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+CF3COOH"	132.026685
"1646174"	633.10848	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+CF3COOH"	136.98208
"1575262"	649.08242	"C14803"	"1-Nitro-7-hydroxy-8-glutathionyl-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+CF3COOH"	152.95602
"815839"	496.1264	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M"	0
"986819"	477.10801	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H2O-H"	-19.01839
"73969"	329.743657333333	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-3H"	-3.021828
"516810"	495.119124	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-3H"	-3.021828
"883678"	164.368190666667	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-3H"	-3.021828
"2253"	495.119124	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H"	-2.014552
"442905"	743.182324	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H"	-2.014552
"820710"	247.055924	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H"	-2.014552
"80700"	991.245524	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H"	-1.007276
"521357"	1487.371924	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H"	-1.007276
"898431"	495.119124	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H"	-1.007276
"49155"	1008.272071	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+NH4"	16.019271
"489814"	1504.398471	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+NH4"	16.019271
"869804"	512.145671	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+NH4"	16.019271
"37708"	1013.227466	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+Na"	20.974666
"475079"	1509.353866	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+Na"	20.974666
"859445"	517.101066	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+Na"	20.974666
"1630072"	517.101066	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na-2H"	20.974666
"108669"	513.107463	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H+Cl"	33.962126
"547257"	761.170663	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H+Cl"	33.962126
"941502"	265.044263	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+Cl"	33.962126
"277139"	1027.222202	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Cl"	34.969402
"670653"	1523.348602	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Cl"	34.969402
"1281966"	531.095802	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl"	34.969402
"26712"	1029.201406	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+K"	36.948606
"462991"	1525.327806	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+K"	36.948606
"840794"	533.075006	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+K"	36.948606
"1563190"	533.075006	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K-2H"	36.948606
"947793"	541.124594	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+HCOOH"	44.998194
"368195"	1037.251001	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+HCOOH-H"	44.998201
"353170"	1051.266651	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Hac-H"	59.013851
"1498724"	555.140251	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Hac-H"	59.013851
"965170"	563.106551	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+NaCOOH"	66.980151
"116263"	531.095802	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Cl"	69.938804
"559105"	779.159002	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Cl"	69.938804
"1031184"	283.032602	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Cl"	69.938804
"1248575"	575.045285	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Br"	78.918885
"1317587"	577.101272	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+HCOOH"	80.974872
"1330709"	599.083229	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+NaCOOH"	102.956829
"920673"	609.111986	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+CF3COOH"	112.985586
"1290821"	645.088664	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+CF3COOH"	148.962264
"1374453"	461.113724	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-2H2O"	-35.012676
"1391952"	479.1237	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-H2O"	-17.0027
"290544"	993.260076	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H"	1.007276
"682965"	1489.386476	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H"	1.007276
"1356035"	497.133676	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H"	1.007276
"133296"	497.133676	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2H"	2.014552
"567386"	745.196876	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2H"	2.014552
"1039466"	249.070476	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H"	2.014552
"206274"	331.758209333333	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H"	3.021828
"649480"	497.133676	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+3H"	3.021828
"1167610"	166.382742666667	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3H"	3.021828
"433805"	1010.286623	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+NH4"	18.033823
"789336"	1506.413023	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+NH4"	18.033823
"1684208"	514.160223	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4"	18.033823
"336134"	505.6469495	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+NH4"	19.041099
"724546"	753.7101495	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+NH4"	19.041099
"1478001"	257.5837495	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+NH4"	19.041099
"393884"	1015.242018	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na"	22.989218
"760954"	1511.368418	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na"	22.989218
"1606868"	519.115618	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na"	22.989218
"317996"	508.124647	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+Na"	23.996494
"709692"	756.187847	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+Na"	23.996494
"1467520"	260.061447	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+Na"	23.996494
"1058580"	173.710056666667	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H+Na"	25.00377
"1262446"	529.159886	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+CH3OH+H"	33.033486
"379199"	1031.215958	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+K"	38.963158
"742019"	1527.342358	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+K"	38.963158
"1548447"	535.089558	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K"	38.963158
"301250"	516.111617	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+K"	39.970434
"700961"	764.174817	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+K"	39.970434
"1447491"	268.048417	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+K"	39.970434
"237187"	1034.286626	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+H"	42.033826
"1213177"	538.160226	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+H"	42.033826
"1197788"	269.583751	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+2H"	43.041102
"192483"	1037.22396	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na-H"	44.97116
"636054"	1533.35036	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na-H"	44.97116
"1141745"	541.09756	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na-H"	44.97116
"184915"	519.115618	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na"	45.978436
"620950"	767.178818	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na"	45.978436
"1122633"	271.052418	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na"	45.978436
"1405065"	181.037370666667	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+2Na"	46.985712
"1442285"	543.139146	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+HCOOH"	47.012746
"224687"	524.14864	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H2O+2H"	56.04448
"1516033"	557.19119	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+H"	61.06479
"421919"	527.102588	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na+K"	61.952376
"779993"	775.165788	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na+K"	61.952376
"1678511"	279.039388	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+K"	61.952376
"262843"	1056.268568	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+Na"	64.015768
"1232278"	560.142168	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+Na"	64.015768
"1723363"	560.165693	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+HCOOH"	64.039293
"1190540"	188.364684666667	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3Na"	68.967654
"1659706"	565.121088	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+HCOOH"	68.994688
"167661"	1069.17184	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K-H"	76.91904
"610134"	1565.29824	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K-H"	76.91904
"1095010"	573.04544	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K-H"	76.91904
"151825"	535.089558	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K"	77.926316
"593572"	783.152758	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K"	77.926316
"1081365"	287.026358	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K"	77.926316
"1103642"	575.059992	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K+H"	78.933592
"1343308"	575.147607	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+DMSO+H"	79.021207
"1015121"	579.186776	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+H"	83.060376
"1525590"	580.180408	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+Na+H"	84.054008
"997504"	290.097026	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+2H"	84.067652
"1589823"	581.095028	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+HCOOH"	84.968628
"1417670"	611.126538	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+CF3COOH"	115.000138
"1155615"	310.610301	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3ACN+2H"	125.094202
"1705167"	628.153085	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+CF3COOH"	132.026685
"1646284"	633.10848	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+CF3COOH"	136.98208
"1575372"	649.08242	"C14804"	"1-Nitro-7-glutathionyl-8-hydroxy-78-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+CF3COOH"	152.95602
"811210"	496.1264	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M"	0
"985840"	477.10801	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H2O-H"	-19.01839
"74081"	329.743657333333	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-3H"	-3.021828
"513646"	495.119124	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-3H"	-3.021828
"882695"	164.368190666667	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-3H"	-3.021828
"3459"	495.119124	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H"	-2.014552
"443019"	743.182324	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H"	-2.014552
"819363"	247.055924	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H"	-2.014552
"82269"	991.245524	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H"	-1.007276
"523653"	1487.371924	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H"	-1.007276
"897930"	495.119124	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H"	-1.007276
"50360"	1008.272071	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+NH4"	16.019271
"490283"	1504.398471	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+NH4"	16.019271
"867362"	512.145671	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+NH4"	16.019271
"40005"	1013.227466	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+Na"	20.974666
"485043"	1509.353866	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+Na"	20.974666
"863207"	517.101066	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+Na"	20.974666
"1630184"	517.101066	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na-2H"	20.974666
"100152"	513.107463	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H+Cl"	33.962126
"540805"	761.170663	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H+Cl"	33.962126
"934320"	265.044263	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+Cl"	33.962126
"271782"	1027.222202	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Cl"	34.969402
"674776"	1523.348602	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Cl"	34.969402
"1283169"	531.095802	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl"	34.969402
"26823"	1029.201406	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+K"	36.948606
"466380"	1525.327806	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+K"	36.948606
"844186"	533.075006	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+K"	36.948606
"1562209"	533.075006	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K-2H"	36.948606
"953373"	541.124594	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+HCOOH"	44.998194
"372675"	1037.251001	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+HCOOH-H"	44.998201
"353645"	1051.266651	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Hac-H"	59.013851
"1505397"	555.140251	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Hac-H"	59.013851
"968563"	563.106551	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+NaCOOH"	66.980151
"119654"	531.095802	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Cl"	69.938804
"558122"	779.159002	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Cl"	69.938804
"1033478"	283.032602	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Cl"	69.938804
"1253057"	575.045285	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Br"	78.918885
"1312227"	577.101272	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+HCOOH"	80.974872
"1328631"	599.083229	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+NaCOOH"	102.956829
"914221"	609.111986	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+CF3COOH"	112.985586
"1290203"	645.088664	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+CF3COOH"	148.962264
"1375659"	461.113724	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-2H2O"	-35.012676
"1395343"	479.1237	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-H2O"	-17.0027
"292843"	993.260076	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H"	1.007276
"688545"	1489.386476	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H"	1.007276
"1360519"	497.133676	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H"	1.007276
"132314"	497.133676	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2H"	2.014552
"572969"	745.196876	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2H"	2.014552
"1040676"	249.070476	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H"	2.014552
"211857"	331.758209333333	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H"	3.021828
"648137"	497.133676	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+3H"	3.021828
"1168450"	166.382742666667	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3H"	3.021828
"432822"	1010.286623	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+NH4"	18.033823
"788355"	1506.413023	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+NH4"	18.033823
"1685778"	514.160223	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4"	18.033823
"334060"	505.6469495	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+NH4"	19.041099
"724657"	753.7101495	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+NH4"	19.041099
"1480299"	257.5837495	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+NH4"	19.041099
"395699"	1015.242018	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na"	22.989218
"755962"	1511.368418	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na"	22.989218
"1605520"	519.115618	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na"	22.989218
"320299"	508.124647	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+Na"	23.996494
"713812"	756.187847	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+Na"	23.996494
"1472008"	260.061447	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+Na"	23.996494
"1058692"	173.710056666667	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H+Na"	25.00377
"1259641"	529.159886	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+CH3OH+H"	33.033486
"384415"	1031.215958	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+K"	38.963158
"749784"	1527.342358	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+K"	38.963158
"1543090"	535.089558	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K"	38.963158
"306828"	516.111617	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+K"	39.970434
"693050"	764.174817	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+K"	39.970434
"1447235"	268.048417	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+K"	39.970434
"236930"	1034.286626	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+H"	42.033826
"1213286"	538.160226	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+H"	42.033826
"1195710"	269.583751	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+2H"	43.041102
"192227"	1037.22396	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na-H"	44.97116
"637256"	1533.35036	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na-H"	44.97116
"1140761"	541.09756	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na-H"	44.97116
"184050"	519.115618	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na"	45.978436
"621424"	767.178818	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na"	45.978436
"1126023"	271.052418	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na"	45.978436
"1405176"	181.037370666667	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+2Na"	46.985712
"1434011"	543.139146	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+HCOOH"	47.012746
"225894"	524.14864	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H2O+2H"	56.04448
"1517237"	557.19119	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+H"	61.06479
"414735"	527.102588	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na+K"	61.952376
"775730"	775.165788	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na+K"	61.952376
"1669870"	279.039388	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+K"	61.952376
"255663"	1056.268568	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+Na"	64.015768
"1234574"	560.142168	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+Na"	64.015768
"1727119"	560.165693	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+HCOOH"	64.039293
"1193205"	188.364684666667	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3Na"	68.967654
"1665163"	565.121088	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+HCOOH"	68.994688
"172144"	1069.17184	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K-H"	76.91904
"612311"	1565.29824	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K-H"	76.91904
"1099866"	573.04544	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K-H"	76.91904
"155705"	535.089558	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K"	77.926316
"596726"	783.152758	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K"	77.926316
"1074916"	287.026358	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K"	77.926316
"1111406"	575.059992	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K+H"	78.933592
"1342324"	575.147607	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+DMSO+H"	79.021207
"1014135"	579.186776	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+H"	83.060376
"1531168"	580.180408	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+Na+H"	84.054008
"994336"	290.097026	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+2H"	84.067652
"1593212"	581.095028	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+HCOOH"	84.968628
"1425434"	611.126538	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+CF3COOH"	115.000138
"1155722"	310.610301	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3ACN+2H"	125.094202
"1706368"	628.153085	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+CF3COOH"	132.026685
"1635457"	633.10848	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+CF3COOH"	136.98208
"1577670"	649.08242	"C14805"	"1-Nitro-5-hydroxy-6-glutathionyl-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+CF3COOH"	152.95602
"816387"	496.1264	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M"	0
"983763"	477.10801	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H2O-H"	-19.01839
"74191"	329.743657333333	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-3H"	-3.021828
"507193"	495.119124	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-3H"	-3.021828
"883172"	164.368190666667	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-3H"	-3.021828
"1743"	495.119124	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H"	-2.014552
"441302"	743.182324	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H"	-2.014552
"820932"	247.055924	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H"	-2.014552
"80557"	991.245524	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H"	-1.007276
"521943"	1487.371924	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H"	-1.007276
"897555"	495.119124	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H"	-1.007276
"49743"	1008.272071	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+NH4"	16.019271
"489668"	1504.398471	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+NH4"	16.019271
"866740"	512.145671	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+NH4"	16.019271
"40115"	1013.227466	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+Na"	20.974666
"486606"	1509.353866	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+Na"	20.974666
"859666"	517.101066	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+Na"	20.974666
"1630294"	517.101066	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na-2H"	20.974666
"100262"	513.107463	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-H+Cl"	33.962126
"544196"	761.170663	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-H+Cl"	33.962126
"940627"	265.044263	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+Cl"	33.962126
"280642"	1027.222202	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Cl"	34.969402
"674886"	1523.348602	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Cl"	34.969402
"1287817"	531.095802	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl"	34.969402
"29120"	1029.201406	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M-2H+K"	36.948606
"469772"	1525.327806	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M-2H+K"	36.948606
"843205"	533.075006	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-2H+K"	36.948606
"1564506"	533.075006	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K-2H"	36.948606
"952390"	541.124594	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+HCOOH"	44.998194
"372787"	1037.251001	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+HCOOH-H"	44.998201
"353391"	1051.266651	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Hac-H"	59.013851
"1505508"	555.140251	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Hac-H"	59.013851
"970861"	563.106551	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+NaCOOH"	66.980151
"120860"	531.095802	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Cl"	69.938804
"563708"	779.159002	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Cl"	69.938804
"1033592"	283.032602	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Cl"	69.938804
"1257001"	575.045285	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Br"	78.918885
"1317804"	577.101272	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+HCOOH"	80.974872
"1332021"	599.083229	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+NaCOOH"	102.956829
"913238"	609.111986	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M-H+CF3COOH"	112.985586
"1292135"	645.088664	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Cl+CF3COOH"	148.962264
"1369568"	461.113724	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-2H2O"	-35.012676
"1388890"	479.1237	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H-H2O"	-17.0027
"292953"	993.260076	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H"	1.007276
"687198"	1489.386476	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H"	1.007276
"1359535"	497.133676	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H"	1.007276
"134610"	497.133676	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2H"	2.014552
"574172"	745.196876	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2H"	2.014552
"1041880"	249.070476	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H"	2.014552
"215978"	331.758209333333	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H"	3.021828
"652622"	497.133676	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+3H"	3.021828
"1172936"	166.382742666667	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3H"	3.021828
"436218"	1010.286623	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+NH4"	18.033823
"788465"	1506.413023	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+NH4"	18.033823
"1685890"	514.160223	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4"	18.033823
"333076"	505.6469495	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+NH4"	19.041099
"722846"	753.7101495	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+NH4"	19.041099
"1481504"	257.5837495	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+NH4"	19.041099
"396904"	1015.242018	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na"	22.989218
"758992"	1511.368418	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na"	22.989218
"1604175"	519.115618	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na"	22.989218
"319315"	508.124647	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+Na"	23.996494
"713923"	756.187847	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+Na"	23.996494
"1472119"	260.061447	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+Na"	23.996494
"1062083"	173.710056666667	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2H+Na"	25.00377
"1263762"	529.159886	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+CH3OH+H"	33.033486
"385619"	1031.215958	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+K"	38.963158
"749895"	1527.342358	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+K"	38.963158
"1550854"	535.089558	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K"	38.963158
"310219"	516.111617	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+H+K"	39.970434
"693163"	764.174817	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+H+K"	39.970434
"1447345"	268.048417	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+K"	39.970434
"238133"	1034.286626	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+H"	42.033826
"1213396"	538.160226	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+H"	42.033826
"1196063"	269.583751	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+2H"	43.041102
"190391"	1037.22396	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na-H"	44.97116
"638458"	1533.35036	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na-H"	44.97116
"1141966"	541.09756	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na-H"	44.97116
"183069"	519.115618	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2Na"	45.978436
"621534"	767.178818	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2Na"	45.978436
"1123949"	271.052418	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2Na"	45.978436
"1407473"	181.037370666667	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+2Na"	46.985712
"1438494"	543.139146	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+HCOOH"	47.012746
"227096"	524.14864	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+3H2O+2H"	56.04448
"1514066"	557.19119	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+H"	61.06479
"415938"	527.102588	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+Na+K"	61.952376
"773288"	775.165788	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+Na+K"	61.952376
"1670710"	279.039388	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+K"	61.952376
"255045"	1056.268568	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+ACN+Na"	64.015768
"1235776"	560.142168	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+ACN+Na"	64.015768
"1724675"	560.165693	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+HCOOH"	64.039293
"1190397"	188.364684666667	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3Na"	68.967654
"1662840"	565.121088	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+HCOOH"	68.994688
"170066"	1069.17184	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K-H"	76.91904
"611814"	1565.29824	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K-H"	76.91904
"1097664"	573.04544	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K-H"	76.91904
"155205"	535.089558	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"2M+2K"	77.926316
"593794"	783.152758	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"3M+2K"	77.926316
"1075026"	287.026358	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K"	77.926316
"1112609"	575.059992	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2K+H"	78.933592
"1342434"	575.147607	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+DMSO+H"	79.021207
"1012057"	579.186776	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+H"	83.060376
"1532369"	580.180408	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+IsoProp+Na+H"	84.054008
"995538"	290.097026	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+2ACN+2H"	84.067652
"1596603"	581.095028	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+HCOOH"	84.968628
"1422262"	611.126538	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+H+CF3COOH"	115.000138
"1154740"	310.610301	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+3ACN+2H"	125.094202
"1698823"	628.153085	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+NH4+CF3COOH"	132.026685
"1636661"	633.10848	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+Na+CF3COOH"	136.98208
"1577780"	649.08242	"C14806"	"1-Nitro-5-glutathionyl-6-hydroxy-56-dihydronaphthalene"	"C20H24N4O9S"	"496.1264"	"M+K+CF3COOH"	152.95602
"814715"	318.2195	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M"	0
"981686"	299.20111	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"74302"	211.139057333333	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"507304"	317.212224	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"880604"	105.065890666667	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"1609"	317.212224	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"440682"	476.321974	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"817553"	158.102474	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"80060"	635.431724	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"521079"	953.651224	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"901679"	317.212224	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"48396"	652.458271	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"492333"	970.677771	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"867581"	334.238771	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"45694"	657.413666	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"484165"	975.633166	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"863059"	339.194166	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1622749"	339.194166	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"97089"	335.200563	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"541026"	494.310313	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"938915"	176.090813	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"281728"	671.408402	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"673175"	989.627902	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1285576"	353.188902	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"27044"	673.387606	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"466605"	991.607106	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"838941"	355.168106	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1564617"	355.168106	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"950312"	363.217694	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"365972"	681.437201	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"355691"	695.452851	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1500148"	377.233351	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"966594"	385.199651	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"117690"	353.188902	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"558344"	512.298652	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1030423"	194.079152	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1253280"	397.138385	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1312447"	399.194372	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1332132"	421.176329	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"916268"	431.205086	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1290789"	467.181764	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1375878"	283.206824	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1384624"	301.2168	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"291974"	637.446276	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"687308"	955.665776	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1360740"	319.226776	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"131443"	319.226776	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"573190"	478.336526	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1040533"	160.117026	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"210986"	213.153609333333	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"649454"	319.226776	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1169766"	107.080442666667	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"437421"	654.472823	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"787484"	972.692323	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1683815"	336.253323	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"334277"	327.7400495	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"725968"	486.8497995	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1478455"	168.6302995	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"393366"	659.428218	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"756916"	977.647718	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1603918"	341.208718	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"317237"	330.217747	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"717316"	489.327497	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1471135"	171.107997	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1063288"	114.407756666667	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1266061"	351.252986	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"383542"	675.402158	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"748912"	993.621658	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1552058"	357.182658	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"307049"	338.204717	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"691851"	497.314467	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1445995"	179.094967	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"237148"	678.472826	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1212414"	360.253326	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1196658"	180.630301	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"192446"	681.41016	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"632007"	999.62966	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1133326"	363.19066	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"180991"	341.208718	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"615086"	500.318468	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1120776"	182.098968	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1404301"	121.735070666667	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1433137"	365.232246	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"225020"	346.24174	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1514178"	379.28429	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"413863"	349.195688	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"775945"	508.305438	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1671187"	190.085938	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"254062"	700.454768	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1232606"	382.235268	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1723693"	382.258793	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1192692"	129.062384666667	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1660033"	387.214188	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"169081"	713.35804	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"607551"	1031.57754	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1097528"	395.13854	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"153252"	357.182658	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"588438"	516.292408	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1072951"	198.072908	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1105066"	397.153092	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1342545"	397.240707	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1012168"	401.279876	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1528107"	402.273508	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"996740"	201.143576	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1589424"	403.188128	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1421281"	433.219638	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1155943"	221.656851	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1704402"	450.246185	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1643333"	455.20158	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1577890"	471.17552	"C14807"	"12-OxoETE;12-KETE;(5Z8Z10E14Z)-12-Oxoeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-12-Oxoicosa-581014-tetraenoic acid"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"814825"	336.2301	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M"	0
"988358"	317.21171	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"74412"	223.146124	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"506321"	335.222824	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"880840"	111.069424	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"111"	335.222824	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"441163"	503.337874	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"822248"	167.107774	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"87707"	671.452924	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"521800"	1007.683024	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"900696"	335.222824	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"57259"	688.479471	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"493539"	1024.709571	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"871340"	352.249371	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"43617"	693.434866	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"476617"	1029.664966	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"856606"	357.204766	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1627234"	357.204766	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"98295"	353.211163	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"547697"	521.326213	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"940847"	185.096113	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"281956"	707.429602	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"674256"	1043.659702	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1287509"	371.199502	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"24970"	709.408806	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"467808"	1045.638906	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"841237"	373.178706	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1564726"	373.178706	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"952610"	381.228294	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"364626"	717.458401	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"353614"	731.474051	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1498799"	395.243951	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"966705"	403.210251	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"117799"	371.199502	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"558454"	539.314552	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1030533"	203.084452	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1251203"	415.148985	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1309277"	417.204972	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1326775"	439.186929	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"916378"	449.215686	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1290899"	485.192364	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1377081"	301.217424	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1383762"	319.2274	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"293173"	673.467476	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"686686"	1009.697576	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1359757"	337.237376	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"131553"	337.237376	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"571477"	505.352426	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1043195"	169.122326	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"208909"	225.160676	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"650657"	337.237376	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1170969"	113.083976	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"435341"	690.494023	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"786257"	1026.724123	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1684289"	354.263923	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"333295"	345.7506495	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"725717"	513.8656995	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1480632"	177.6355995	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"393112"	695.449418	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"757026"	1031.679518	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1603542"	359.219318	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"316619"	348.228347	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"719613"	516.343397	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1471245"	180.113297	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1062305"	120.41129	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1266171"	369.263586	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"383652"	711.423358	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"745741"	1047.653458	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1553263"	375.193258	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"308252"	356.215317	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"691639"	524.330367	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1446106"	188.100267	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"237257"	714.494026	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1211062"	378.263926	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1196403"	189.635601	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"191463"	717.43136	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"631750"	1053.66146	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1134895"	381.20126	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"176727"	359.219318	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"616290"	527.334368	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1117970"	191.104268	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1401131"	127.738604	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1431060"	383.242846	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"221850"	364.25234	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1514287"	397.29489	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"412879"	367.206288	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"776054"	535.321338	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1671294"	199.091238	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"254899"	736.475968	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1230530"	400.245868	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1723803"	400.269393	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1193166"	135.065918	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1662331"	405.224788	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"170284"	749.37924	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"610938"	1085.60934	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1098247"	413.14914	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"156807"	375.193258	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"588549"	543.308308	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1073061"	207.078208	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1106270"	415.163692	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1342655"	415.251307	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1014466"	419.290476	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1530405"	420.284108	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"996851"	210.148876	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1592450"	421.198728	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1422485"	451.230238	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1154960"	230.662151	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1702326"	468.256785	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1643443"	473.21218	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1578000"	489.18612	"C14808"	"Hepoxilin A3;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11S12S)-1112-Epoxy-8-hydroxyicosa-5914-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"816024"	354.2406	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M"	0
"987739"	335.22221	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"75618"	235.153124	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"508618"	353.233324	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"880222"	117.072924	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"2438"	353.233324	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"444554"	530.353624	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"817616"	176.113024	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"88912"	707.473924	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"526285"	1061.714524	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"900806"	353.233324	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"61502"	724.500471	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"501183"	1078.741071	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"874731"	370.259871	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"46401"	729.455866	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"482195"	1083.696466	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"859999"	375.215266	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1624064"	375.215266	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"104968"	371.221663	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"545621"	548.341963	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"938042"	194.101363	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"275513"	743.450602	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"670851"	1097.691202	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1282524"	389.210002	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"23986"	745.429806	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"464640"	1099.670406	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"840254"	391.189206	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1563013"	391.189206	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"950534"	399.238794	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"368748"	753.479401	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"353725"	767.495051	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1500368"	413.254451	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"965722"	421.220751	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"122285"	389.210002	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"558564"	566.330302	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1030642"	212.089702	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1245481"	433.159485	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1306109"	435.215472	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1323605"	457.197429	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"913207"	467.226186	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1293197"	503.202864	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1370632"	319.227924	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1386668"	337.2379	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"292192"	709.488476	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"681332"	1063.729076	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1356588"	355.247876	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"127654"	355.247876	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"569401"	532.368176	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1041481"	178.127576	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"206103"	237.167676	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"649674"	355.247876	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1174359"	119.087476	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"435087"	726.515023	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"789892"	1080.755623	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1688406"	372.274423	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"333406"	363.7611495	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"726921"	540.8814495	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1480743"	186.6408495	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"400515"	731.470418	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"760416"	1085.711018	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1606328"	377.229818	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"319646"	366.238847	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"719723"	543.359147	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1473180"	189.118547	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1059136"	126.41479	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1267375"	387.274086	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"387043"	747.444358	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"749132"	1101.684958	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1550093"	393.203758	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"308362"	374.225817	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"696409"	551.346117	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1446582"	197.105517	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"238096"	750.515026	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1212993"	396.274426	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1199428"	198.640851	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"193758"	753.45236	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"632589"	1107.69296	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1135367"	399.21176	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"176837"	377.229818	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"615304"	554.350118	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1118807"	200.109518	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1405251"	133.742104	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1436274"	401.253346	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"224147"	382.26284	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1512210"	415.30539	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"416270"	385.216788	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"772524"	562.337088	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1669583"	208.096488	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"255009"	772.496968	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1230639"	418.256368	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1723913"	418.279893	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1191452"	141.069418	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1661347"	423.235288	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"168207"	785.40024	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"608861"	1139.64084	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1096654"	431.15964	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"154564"	393.203758	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"591939"	570.324058	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1073171"	216.083458	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1108567"	433.174192	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1342765"	433.261807	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1014575"	437.300976	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1530513"	438.294608	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"996961"	219.154126	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1592560"	439.209228	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1417126"	469.240738	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1153978"	239.667401	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1705716"	486.267285	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1643554"	491.22268	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1572642"	507.19662	"C14809"	"Trioxilin A3;(5Z9E14Z)-(11R12S)-81112-Trihydroxyeicosa-5914-trienoic acid;(5Z9E14Z)-(11R12S)-81112-Trihydroxyicosa-5914-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"815893"	336.2301	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M"	0
"987121"	317.21171	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"76093"	223.146124	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"513102"	335.222824	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"882155"	111.069424	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"1821"	335.222824	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"444664"	503.337874	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"819181"	167.107774	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"86835"	671.452924	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"522020"	1007.683024	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"899823"	335.222824	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"59669"	688.479471	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"499957"	1024.709571	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"874841"	352.249371	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"44203"	693.434866	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"479025"	1029.664966	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"859015"	357.204766	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1624174"	357.204766	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"102892"	353.211163	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"542451"	521.326213	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"935966"	185.096113	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"274894"	707.429602	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"667316"	1043.659702	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1281540"	371.199502	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"23367"	709.408806	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"466933"	1045.638906	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"844739"	373.178706	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1564946"	373.178706	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"951007"	381.228294	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"368858"	717.458401	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"352741"	731.474051	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1500481"	395.243951	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"966924"	403.210251	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"118019"	371.199502	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"558673"	539.314552	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1023461"	203.084452	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1243405"	415.148985	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1307312"	417.204972	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1323715"	439.186929	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"914046"	449.215686	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1294036"	485.192364	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1370742"	301.217424	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1384591"	319.2274	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"286833"	673.467476	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"681441"	1009.697576	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1356696"	337.237376	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"128491"	337.237376	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"567074"	505.352426	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1041224"	169.122326	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"206575"	225.160676	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"648688"	337.237376	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1171188"	113.083976	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"433375"	690.494023	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"798748"	1026.724123	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1687422"	354.263923	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"332422"	345.7506495	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"727030"	513.8656995	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1484134"	177.6355995	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"397346"	695.449418	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"758339"	1031.679518	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1605710"	359.219318	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"323036"	348.228347	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"718739"	516.343397	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1471467"	180.113297	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1059246"	120.41129	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1266392"	369.263586	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"386060"	711.423358	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"749242"	1047.653458	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1546922"	375.193258	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"306285"	356.215317	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"697613"	524.330367	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1446932"	188.100267	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"238936"	714.494026	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1213102"	378.263926	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1198081"	189.635601	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"190588"	717.43136	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"631971"	1053.66146	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1134748"	381.20126	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"175122"	359.219318	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"615412"	527.334368	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1119282"	191.104268	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1403539"	127.738604	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1432372"	383.242846	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"222067"	364.25234	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1510495"	397.29489	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"410541"	367.206288	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"771902"	535.321338	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1667871"	199.091238	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"255845"	736.475968	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1228924"	400.245868	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1717461"	400.269393	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1186094"	135.065918	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1661456"	405.224788	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"163943"	749.37924	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"606784"	1085.60934	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1096765"	413.14914	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"154675"	375.193258	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"590956"	543.308308	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1070364"	207.078208	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1106490"	415.163692	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1341782"	415.251307	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1013592"	419.290476	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1531715"	420.284108	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"998164"	210.148876	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1592670"	421.198728	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1417236"	451.230238	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1155181"	230.662151	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1705826"	468.256785	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1643664"	473.21218	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1572752"	489.18612	"C14810"	"Hepoxilin B3;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11S12S)-1112-Epoxy-10-hydroxyicosa-5814-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"816248"	354.2406	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M"	0
"989682"	335.22221	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"75473"	235.153124	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"515034"	353.233324	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"884452"	117.072924	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"4119"	353.233324	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"452428"	530.353624	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"824762"	176.113024	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"88037"	707.473924	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"526503"	1061.714524	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"906493"	353.233324	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"60507"	724.500471	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"501284"	1078.741071	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"874951"	370.259871	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"45040"	729.455866	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"482415"	1083.696466	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"860218"	375.215266	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1626471"	375.215266	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"100813"	371.221663	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"544747"	548.341963	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"938262"	194.101363	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"275004"	743.450602	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"669612"	1097.691202	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1285657"	389.210002	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"24206"	745.429806	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"464858"	1099.670406	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"843756"	391.189206	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1566149"	391.189206	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"954032"	399.238794	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"370426"	753.479401	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"355037"	767.495051	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1500592"	413.254451	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"970314"	421.220751	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"121409"	389.210002	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"560970"	566.330302	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1026488"	212.089702	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1246431"	433.159485	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1306693"	435.215472	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1323460"	457.197429	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"920354"	467.226186	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1294878"	503.202864	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1373041"	319.227924	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1384700"	337.2379	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"286943"	709.488476	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"678271"	1063.729076	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1353890"	355.247876	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"128965"	355.247876	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"566335"	532.368176	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1038051"	178.127576	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"206684"	237.167676	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"652079"	355.247876	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1173485"	119.087476	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"432390"	726.515023	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"801171"	1080.755623	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1694095"	372.274423	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"342375"	363.7611495	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"729329"	540.8814495	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1489348"	186.6408495	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"400736"	731.470418	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"760639"	1085.711018	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1612017"	377.229818	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"323147"	366.238847	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"720674"	543.359147	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1476483"	189.118547	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1067983"	126.41479	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1272665"	387.274086	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"390547"	747.444358	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"751544"	1101.684958	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1551407"	393.203758	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"313610"	374.225817	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"698818"	551.346117	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1449355"	197.105517	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"239414"	750.515026	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1211763"	396.274426	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1197101"	198.640851	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"191793"	753.45236	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"632813"	1107.69296	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1135955"	399.21176	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"178152"	377.229818	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"616620"	554.350118	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1119758"	200.109518	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1402557"	133.742104	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1434672"	401.253346	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"223274"	382.26284	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1508903"	415.30539	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"411386"	385.216788	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"773839"	562.337088	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1669440"	208.096488	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"255230"	772.496968	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1228670"	418.256368	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1717570"	418.279893	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1185111"	141.069418	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1662659"	423.235288	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"164053"	785.40024	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"607987"	1139.64084	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1097968"	431.15964	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"155395"	393.203758	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"589973"	570.324058	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1072298"	216.083458	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1107694"	433.174192	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1344079"	433.261807	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1010421"	437.300976	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1531826"	438.294608	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"998273"	219.154126	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1592779"	439.209228	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1419533"	469.240738	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1156383"	239.667401	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1704840"	486.267285	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1645960"	491.22268	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1572861"	507.19662	"C14811"	"Trioxilin B3;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyeicosa-5814-trienoic acid;(5Z8Z14Z)-(11R12R)-101112-Trihydroxyicosa-5814-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"813078"	336.2301	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M"	0
"985517"	317.21171	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"67201"	223.146124	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"511135"	335.222824	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"891121"	111.069424	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"10791"	335.222824	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"449257"	503.337874	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"822687"	167.107774	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"82677"	671.452924	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"532080"	1007.683024	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"903321"	335.222824	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"55510"	688.479471	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"498353"	1024.709571	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"878346"	352.249371	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"44786"	693.434866	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"479245"	1029.664966	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"857048"	357.204766	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1624394"	357.204766	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"100923"	353.211163	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"542671"	521.326213	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"937279"	185.096113	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"281305"	707.429602	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"672272"	1043.659702	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1282853"	371.199502	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"26500"	709.408806	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"468979"	1045.638906	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"846781"	373.178706	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1568445"	373.178706	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"956692"	381.228294	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"371266"	717.458401	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"353690"	731.474051	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1503619"	395.243951	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"969335"	403.210251	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"123342"	371.199502	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"561081"	539.314552	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1029879"	203.084452	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1251645"	415.148985	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1312999"	417.204972	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1328314"	439.186929	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"916457"	449.215686	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1294985"	485.192364	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1373151"	301.217424	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1388459"	319.2274	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"284502"	673.467476	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"676312"	1009.697576	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1352541"	337.237376	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"127252"	337.237376	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"565738"	505.352426	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1037677"	169.122326	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"206433"	225.160676	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"645991"	337.237376	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1165940"	113.083976	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"439437"	690.494023	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"801265"	1026.724123	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1690923"	354.263923	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"339203"	345.7506495	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"731626"	513.8656995	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1485446"	177.6355995	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"401939"	695.449418	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"761841"	1031.679518	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1612127"	359.219318	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"326537"	348.228347	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"718960"	516.343397	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1474969"	180.113297	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1066027"	120.41129	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1272082"	369.263586	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"391389"	711.423358	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"751653"	1047.653458	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1553704"	375.193258	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"313680"	356.215317	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"700020"	524.330367	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1449465"	188.100267	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"238429"	714.494026	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1212962"	378.263926	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1198302"	189.635601	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"191540"	717.43136	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"631101"	1053.66146	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1132659"	381.20126	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"173883"	359.219318	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"613079"	527.334368	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1117317"	191.104268	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1402667"	127.738604	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1430648"	383.242846	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"221562"	364.25234	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1508767"	397.29489	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"408600"	367.206288	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"770665"	535.321338	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1665941"	199.091238	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"253514"	736.475968	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1226959"	400.245868	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1718041"	400.269393	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1186314"	135.065918	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1663862"	405.224788	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"171817"	749.37924	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"602629"	1085.60934	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1098077"	413.14914	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"153800"	375.193258	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"586802"	543.308308	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1072408"	207.078208	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1109991"	415.163692	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1340909"	415.251307	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1012716"	419.290476	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1531935"	420.284108	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"993282"	210.148876	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1593982"	421.198728	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1422923"	451.230238	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1157586"	230.662151	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1704950"	468.256785	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1640602"	473.21218	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1575159"	489.18612	"C14812"	"12(R)-HPETE;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroperoxyicosa-581014-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"815980"	336.2301	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M"	0
"984534"	317.21171	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"66218"	223.146124	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"503035"	335.222824	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"890138"	111.069424	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"10901"	335.222824	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"450461"	503.337874	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"821701"	167.107774	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"88255"	671.452924	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"523441"	1007.683024	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"903431"	335.222824	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"55620"	688.479471	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"497370"	1024.709571	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"877728"	352.249371	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"43440"	693.434866	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"473158"	1029.664966	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"850598"	357.204766	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1621224"	357.204766	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"98846"	353.211163	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"538406"	521.326213	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"941037"	185.096113	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"275946"	707.429602	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"670559"	1043.659702	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1284783"	371.199502	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"25515"	709.408806	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"469089"	1045.638906	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"845068"	373.178706	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1567460"	373.178706	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"954248"	381.228294	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"371376"	717.458401	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"355258"	731.474051	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1505186"	395.243951	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"970538"	403.210251	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"122726"	371.199502	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"562286"	539.314552	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1031081"	203.084452	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1249568"	415.148985	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1313109"	417.204972	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1327331"	439.186929	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"918391"	449.215686	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1296193"	485.192364	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1377635"	301.217424	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1390757"	319.2274	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"284248"	673.467476	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"676179"	1009.697576	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1352287"	337.237376	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"128821"	337.237376	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"566230"	505.352426	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1037543"	169.122326	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"205206"	225.160676	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"645737"	337.237376	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1164957"	113.083976	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"439751"	690.494023	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"797985"	1026.724123	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1692126"	354.263923	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"342232"	345.7506495	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"733924"	513.8656995	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1489932"	177.6355995	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"400955"	695.449418	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"763045"	1031.679518	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1608957"	359.219318	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"326283"	348.228347	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"717976"	516.343397	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1473619"	180.113297	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1067921"	120.41129	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1272071"	369.263586	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"391983"	711.423358	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"751763"	1047.653458	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1551628"	375.193258	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"313789"	356.215317	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"704871"	524.330367	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1448482"	188.100267	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"238178"	714.494026	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1212343"	378.263926	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1197321"	189.635601	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"192380"	717.43136	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"631212"	1053.66146	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1133254"	381.20126	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"173630"	359.219318	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"615016"	527.334368	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1116577"	191.104268	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1400712"	127.738604	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1430069"	383.242846	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"223497"	364.25234	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1508921"	397.29489	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"413429"	367.206288	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"770775"	535.321338	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1666741"	199.091238	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"253625"	736.475968	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1228163"	400.245868	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1719976"	400.269393	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1182048"	135.065918	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1663972"	405.224788	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"167553"	749.37924	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"611488"	1085.60934	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1093815"	413.14914	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"147352"	375.193258	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"585818"	543.308308	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1072518"	207.078208	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1107915"	415.163692	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1339925"	415.251307	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1010641"	419.290476	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1530955"	420.284108	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"991933"	210.148876	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1594092"	421.198728	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1421939"	451.230238	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1157696"	230.662151	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1709435"	468.256785	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1643992"	473.21218	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1578550"	489.18612	"C14813"	"11H-1415-EETA;11-Hydroxy-1415-EETA;11-Hydroxy-1415-epoxyeicosatrienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-1415-Epoxy-11-hydroxyicosa-5812-trienoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"815485"	354.2406	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M"	0
"987195"	335.22221	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H2O-H"	-19.01839
"65235"	235.153124	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-3H"	-3.021828
"503412"	353.233324	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-3H"	-3.021828
"891341"	117.072924	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-3H"	-3.021828
"11011"	353.233324	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H"	-2.014552
"451665"	530.353624	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H"	-2.014552
"823998"	176.113024	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H"	-2.014552
"88365"	707.473924	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H"	-1.007276
"523551"	1061.714524	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H"	-1.007276
"903541"	353.233324	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H"	-1.007276
"58282"	724.500471	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+NH4"	16.019271
"497481"	1078.741071	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+NH4"	16.019271
"870910"	370.259871	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+NH4"	16.019271
"43550"	729.455866	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+Na"	20.974666
"473998"	1083.696466	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+Na"	20.974666
"848590"	375.215266	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+Na"	20.974666
"1619145"	375.215266	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na-2H"	20.974666
"97863"	371.221663	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-H+Cl"	33.962126
"536329"	548.341963	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-H+Cl"	33.962126
"939325"	194.101363	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+Cl"	33.962126
"272776"	743.450602	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Cl"	34.969402
"669940"	1097.691202	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Cl"	34.969402
"1284164"	389.210002	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl"	34.969402
"23440"	745.429806	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M-2H+K"	36.948606
"464825"	1099.670406	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M-2H+K"	36.948606
"843357"	391.189206	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-2H+K"	36.948606
"1568298"	391.189206	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K-2H"	36.948606
"954359"	399.238794	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+HCOOH"	44.998194
"372576"	753.479401	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+HCOOH-H"	44.998201
"357551"	767.495051	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Hac-H"	59.013851
"1502014"	413.254451	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Hac-H"	59.013851
"970648"	421.220751	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+NaCOOH"	66.980151
"122472"	389.210002	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Cl"	69.938804
"562395"	566.330302	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Cl"	69.938804
"1031191"	212.089702	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Cl"	69.938804
"1250769"	433.159485	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Br"	78.918885
"1307752"	435.215472	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+HCOOH"	80.974872
"1321970"	457.197429	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+NaCOOH"	102.956829
"919591"	467.226186	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M-H+CF3COOH"	112.985586
"1296303"	503.202864	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Cl+CF3COOH"	148.962264
"1377745"	319.227924	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-2H2O"	-35.012676
"1391960"	337.2379	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H-H2O"	-17.0027
"284358"	709.488476	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H"	1.007276
"676412"	1063.729076	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H"	1.007276
"1353492"	355.247876	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H"	1.007276
"130024"	355.247876	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2H"	2.014552
"566299"	532.368176	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2H"	2.014552
"1037899"	178.127576	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H"	2.014552
"205680"	237.167676	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H"	3.021828
"645843"	355.247876	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+3H"	3.021828
"1166160"	119.087476	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+3H"	3.021828
"439415"	726.515023	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+NH4"	18.033823
"801143"	1080.755623	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+NH4"	18.033823
"1693331"	372.274423	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4"	18.033823
"340516"	363.7611495	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+NH4"	19.041099
"734032"	540.8814495	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+NH4"	19.041099
"1487853"	186.6408495	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+NH4"	19.041099
"402160"	731.470418	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na"	22.989218
"766436"	1085.711018	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na"	22.989218
"1612347"	377.229818	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na"	22.989218
"324571"	366.238847	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+Na"	23.996494
"718816"	543.359147	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+Na"	23.996494
"1471906"	189.118547	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+Na"	23.996494
"1068318"	126.41479	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2H+Na"	25.00377
"1270966"	387.274086	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+CH3OH+H"	33.033486
"390635"	747.444358	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+K"	38.963158
"753454"	1101.684958	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+K"	38.963158
"1552104"	393.203758	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K"	38.963158
"313414"	374.225817	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+H+K"	39.970434
"702794"	551.346117	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+H+K"	39.970434
"1449684"	197.105517	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+K"	39.970434
"240474"	750.515026	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+H"	42.033826
"1212089"	396.274426	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+H"	42.033826
"1198159"	198.640851	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+2H"	43.041102
"191032"	753.45236	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na-H"	44.97116
"630957"	1107.69296	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na-H"	44.97116
"1133005"	399.21176	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na-H"	44.97116
"173620"	377.229818	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2Na"	45.978436
"614032"	554.350118	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2Na"	45.978436
"1119362"	200.109518	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2Na"	45.978436
"1399606"	133.742104	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+2Na"	46.985712
"1435002"	401.253346	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+HCOOH"	47.012746
"223605"	382.26284	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+3H2O+2H"	56.04448
"1511668"	415.30539	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+H"	61.06479
"410252"	385.216788	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+Na+K"	61.952376
"770279"	562.337088	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+Na+K"	61.952376
"1666041"	208.096488	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+K"	61.952376
"252280"	772.496968	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+ACN+Na"	64.015768
"1227181"	418.256368	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+ACN+Na"	64.015768
"1720086"	418.279893	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+HCOOH"	64.039293
"1185438"	141.069418	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+3Na"	68.967654
"1663961"	423.235288	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+HCOOH"	68.994688
"164383"	785.40024	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K-H"	76.91904
"611356"	1139.64084	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K-H"	76.91904
"1096112"	431.15964	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K-H"	76.91904
"150742"	393.203758	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"2M+2K"	77.926316
"584105"	570.324058	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"3M+2K"	77.926316
"1071535"	216.083458	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K"	77.926316
"1106931"	433.174192	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2K+H"	78.933592
"1342222"	433.261807	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+DMSO+H"	79.021207
"1011843"	437.300976	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+H"	83.060376
"1531065"	438.294608	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+IsoProp+Na+H"	84.054008
"992044"	219.154126	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+2ACN+2H"	84.067652
"1594202"	439.209228	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+HCOOH"	84.968628
"1422049"	469.240738	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+H+CF3COOH"	115.000138
"1156713"	239.667401	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+3ACN+2H"	125.094202
"1706265"	486.267285	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+NH4+CF3COOH"	132.026685
"1644102"	491.22268	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+Na+CF3COOH"	136.98208
"1578660"	507.19662	"C14814"	"111415-THETA;111415-Trihydroxyicosatrienoic acid;(5Z8Z12E)-111415-Trihydroxyeicosa-5812-trienoic acid;(5Z8Z12E)-111415-Trihydroxyicosa-5812-trienoic acid"	"C20H34O5"	"354.2406"	"M+K+CF3COOH"	152.95602
"816867"	334.2144	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M"	0
"988398"	315.19601	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"66438"	221.802324	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"503929"	333.207124	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"894731"	110.397524	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"12215"	333.207124	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"451776"	500.314324	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"824108"	166.099924	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"88475"	667.421524	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"525847"	1001.635924	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"906931"	333.207124	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"56932"	684.448071	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"495403"	1018.662471	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"865673"	350.233671	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"35640"	689.403466	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"473009"	1023.617866	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"849231"	355.189066	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1618561"	355.189066	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"95784"	351.195463	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"534898"	518.302663	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"934329"	184.088263	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"270699"	703.398202	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"670777"	1037.612602	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1284638"	369.183802	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"24642"	705.377406	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"460925"	1039.591806	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"843466"	371.163006	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1566586"	371.163006	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"952282"	379.212594	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"373779"	713.427001	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"358754"	727.442651	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1505404"	393.228251	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"971487"	401.194551	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"122944"	369.183802	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"562504"	536.291002	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1028021"	202.076602	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1248692"	413.133285	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1306038"	415.189272	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1323172"	437.171229	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"921887"	447.199986	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1295316"	483.176664	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1377855"	299.201724	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1387695"	317.2117	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"286290"	669.436076	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"677250"	1003.650476	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1351529"	335.221676	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"126241"	335.221676	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"566535"	502.328876	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1039222"	168.114476	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"206761"	223.816876	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"646315"	335.221676	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1164805"	112.412076	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"439766"	686.462623	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"800641"	1020.677023	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1696366"	352.248223	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"342815"	343.7349495	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"734871"	510.8421495	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1490147"	176.6277495	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"405915"	691.418018	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"767276"	1025.632418	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1612458"	357.203618	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"326867"	346.212647	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"718925"	513.319847	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1473109"	179.105447	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1066848"	119.73939	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1270225"	367.247886	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"391719"	707.391958	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"751982"	1041.606358	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1550756"	373.177558	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"311577"	354.199617	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"702904"	521.306817	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1448700"	187.092417	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"239490"	710.462626	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1212199"	376.248226	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1198269"	188.627751	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"190049"	713.39996	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"629974"	1047.61436	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1135302"	379.18556	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"175313"	357.203618	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"614873"	524.310818	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1120565"	190.096418	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1402996"	127.066704	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1439486"	381.227146	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"224809"	362.23664	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1512871"	395.27919	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"411459"	365.190588	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"770429"	532.297788	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1667330"	198.083388	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"255306"	732.444568	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1229114"	398.230168	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1722382"	398.253693	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1185548"	134.394018	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1664926"	403.209088	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"169960"	745.34784	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"608428"	1079.56224	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1098409"	411.13344	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"151944"	373.177558	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"584216"	540.284758	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1073832"	206.070358	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1108135"	413.147992	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1344519"	413.235607	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1013047"	417.274776	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1528989"	418.268408	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"994340"	209.141026	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1594312"	419.183028	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1422159"	449.214538	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1155729"	229.654301	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1706375"	466.241085	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1644212"	471.19648	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1578770"	487.17042	"C14815"	"56-Epoxytetraene;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyeicosa-791113-tetraenoic acid;(7E9E11Z13E)-(5S6S15S)-56-Epoxy-15-hydroxyicosa-791113-tetraenoic acid"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"805856"	866.3328	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M"	0
"976114"	847.31441	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-H2O-H"	-19.01839
"67636"	576.547924	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M-3H"	-3.021828
"509385"	865.325524	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M-3H"	-3.021828
"891560"	287.770324	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-3H"	-3.021828
"15321"	865.325524	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M-2H"	-2.014552
"450788"	1298.491924	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M-2H"	-2.014552
"829685"	432.159124	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-2H"	-2.014552
"89676"	1731.658324	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M-H"	-1.007276
"527049"	2597.991124	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M-H"	-1.007276
"903757"	865.325524	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-H"	-1.007276
"50112"	1748.684871	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M-2H+NH4"	16.019271
"499882"	2615.017671	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M-2H+NH4"	16.019271
"873313"	882.352071	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-2H+NH4"	16.019271
"42306"	1753.640266	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M-2H+Na"	20.974666
"476400"	2619.973066	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M-2H+Na"	20.974666
"853110"	887.307466	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-2H+Na"	20.974666
"1621551"	887.307466	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Na-2H"	20.974666
"99172"	883.313863	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M-H+Cl"	33.962126
"535935"	1316.480263	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M-H+Cl"	33.962126
"930054"	450.147463	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-H+Cl"	33.962126
"272993"	1767.635002	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+Cl"	34.969402
"664322"	2633.967802	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+Cl"	34.969402
"1274780"	901.302202	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Cl"	34.969402
"20372"	1769.614206	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M-2H+K"	36.948606
"457137"	2635.947006	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M-2H+K"	36.948606
"835913"	903.281406	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-2H+K"	36.948606
"1559402"	903.281406	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+K-2H"	36.948606
"945458"	911.330994	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-H+HCOOH"	44.998194
"365500"	1777.663801	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+HCOOH-H"	44.998201
"352301"	1791.679451	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+Hac-H"	59.013851
"1495298"	925.346651	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Hac-H"	59.013851
"966489"	933.312951	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-H+NaCOOH"	66.980151
"120865"	901.302202	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+2Cl"	69.938804
"558238"	1334.468602	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+2Cl"	69.938804
"1025580"	468.135802	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2Cl"	69.938804
"1249895"	945.251685	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Br"	78.918885
"1306876"	947.307672	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Cl+HCOOH"	80.974872
"1321456"	969.289629	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Cl+NaCOOH"	102.956829
"911784"	979.318386	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M-H+CF3COOH"	112.985586
"1293238"	1015.295064	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Cl+CF3COOH"	148.962264
"1371401"	831.320124	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H-2H2O"	-35.012676
"1384889"	849.3301	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H-H2O"	-17.0027
"283592"	1733.672876	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+H"	1.007276
"676380"	2600.005676	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+H"	1.007276
"1351754"	867.340076	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H"	1.007276
"126103"	867.340076	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+2H"	2.014552
"566152"	1300.506476	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+2H"	2.014552
"1038596"	434.173676	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2H"	2.014552
"205042"	578.562476	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+3H"	3.021828
"646062"	867.340076	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+3H"	3.021828
"1164912"	289.784876	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+3H"	3.021828
"428564"	1750.699423	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+NH4"	18.033823
"791745"	2617.032223	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+NH4"	18.033823
"1695737"	884.366623	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+NH4"	18.033823
"343654"	875.8533495	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+H+NH4"	19.041099
"734979"	1309.0197495	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+H+NH4"	19.041099
"1492404"	442.6869495	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H+NH4"	19.041099
"408169"	1755.654818	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+Na"	22.989218
"765559"	2621.987618	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+Na"	22.989218
"1616577"	889.322018	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Na"	22.989218
"328681"	878.331047	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+H+Na"	23.996494
"721830"	1311.497447	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+H+Na"	23.996494
"1476138"	445.164647	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H+Na"	23.996494
"1063189"	297.11219	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2H+Na"	25.00377
"1270334"	899.366286	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+CH3OH+H"	33.033486
"384537"	1771.628758	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+K"	38.963158
"752822"	2637.961558	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+K"	38.963158
"1549771"	905.295958	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+K"	38.963158
"311320"	886.318017	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+H+K"	39.970434
"702646"	1319.484417	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+H+K"	39.970434
"1453187"	453.151617	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H+K"	39.970434
"243972"	1774.699426	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+ACN+H"	42.033826
"1215588"	908.366626	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+ACN+H"	42.033826
"1199472"	454.686951	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+ACN+2H"	43.041102
"199997"	1777.63676	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+2Na-H"	44.97116
"632997"	2643.96956	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+2Na-H"	44.97116
"1136503"	911.30396	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2Na-H"	44.97116
"180886"	889.322018	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+2Na"	45.978436
"613642"	1322.488418	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+2Na"	45.978436
"1122861"	456.155618	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2Na"	45.978436
"1406381"	304.439504	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H+2Na"	46.985712
"1439592"	913.345546	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H+HCOOH"	47.012746
"224914"	894.35504	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+3H2O+2H"	56.04448
"1515164"	927.39759	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+IsoProp+H"	61.06479
"411204"	897.308988	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+Na+K"	61.952376
"774749"	1330.475388	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+Na+K"	61.952376
"1668895"	464.142588	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Na+K"	61.952376
"257600"	1796.681368	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+ACN+Na"	64.015768
"1228118"	930.348568	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+ACN+Na"	64.015768
"1717023"	930.372093	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+NH4+HCOOH"	64.039293
"1184565"	311.766818	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+3Na"	68.967654
"1655551"	935.327488	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Na+HCOOH"	68.994688
"166787"	1809.58464	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+2K-H"	76.91904
"603068"	2675.91744	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+2K-H"	76.91904
"1094144"	943.25184	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2K-H"	76.91904
"149865"	905.295958	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"2M+2K"	77.926316
"589424"	1338.462358	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"3M+2K"	77.926316
"1075032"	472.129558	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2K"	77.926316
"1108243"	945.266392	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2K+H"	78.933592
"1341346"	945.354007	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+DMSO+H"	79.021207
"1015343"	949.393176	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2ACN+H"	83.060376
"1537479"	950.386808	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+IsoProp+Na+H"	84.054008
"1004291"	475.200226	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+2ACN+2H"	84.067652
"1595513"	951.301428	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+K+HCOOH"	84.968628
"1426643"	981.332938	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+H+CF3COOH"	115.000138
"1156932"	495.713501	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+3ACN+2H"	125.094202
"1699923"	998.359485	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+NH4+CF3COOH"	132.026685
"1647238"	1003.31488	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+Na+CF3COOH"	136.98208
"1574505"	1019.28882	"C14816"	"Sch 59884"	"C41H49F2N8O9P"	"866.3328"	"M+K+CF3COOH"	152.95602
"802805"	547.0891	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M"	0
"986065"	528.07071	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-H2O-H"	-19.01839
"69936"	363.718790666667	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M-3H"	-3.021828
"511684"	546.081824	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M-3H"	-3.021828
"882924"	181.355757333333	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-3H"	-3.021828
"3684"	546.081824	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M-2H"	-2.014552
"447618"	819.626374	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M-2H"	-2.014552
"822142"	272.537274	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-2H"	-2.014552
"83226"	1093.170924	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M-H"	-1.007276
"530440"	1640.260024	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M-H"	-1.007276
"903870"	546.081824	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-H"	-1.007276
"58247"	1110.197471	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M-2H+NH4"	16.019271
"496717"	1657.286571	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M-2H+NH4"	16.019271
"866013"	563.108371	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-2H+NH4"	16.019271
"41326"	1115.152866	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M-2H+Na"	20.974666
"472985"	1662.241966	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M-2H+Na"	20.974666
"849696"	568.063766	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-2H+Na"	20.974666
"1619713"	568.063766	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Na-2H"	20.974666
"96121"	564.070163	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M-H+Cl"	33.962126
"539936"	837.614713	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M-H+Cl"	33.962126
"932359"	290.525613	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-H+Cl"	33.962126
"270916"	1129.147602	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+Cl"	34.969402
"664433"	1676.236702	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+Cl"	34.969402
"1274649"	582.058502	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Cl"	34.969402
"18417"	1131.126806	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M-2H+K"	36.948606
"458953"	1678.215906	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M-2H+K"	36.948606
"835655"	584.037706	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-2H+K"	36.948606
"1555978"	584.037706	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+K-2H"	36.948606
"943255"	592.087294	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-H+HCOOH"	44.998194
"365973"	1139.176401	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+HCOOH-H"	44.998201
"350587"	1153.192051	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+Hac-H"	59.013851
"1499420"	606.102951	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Hac-H"	59.013851
"964410"	614.069251	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-H+NaCOOH"	66.980151
"115869"	582.058502	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+2Cl"	69.938804
"559442"	855.603052	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+2Cl"	69.938804
"1029336"	308.513952	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2Cl"	69.938804
"1244899"	626.007985	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Br"	78.918885
"1305284"	628.063972	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Cl+HCOOH"	80.974872
"1323390"	650.045929	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Cl+NaCOOH"	102.956829
"911645"	660.074686	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M-H+CF3COOH"	112.985586
"1294441"	696.051364	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Cl+CF3COOH"	148.962264
"1372604"	512.076424	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H-2H2O"	-35.012676
"1387185"	530.0864	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H-H2O"	-17.0027
"284804"	1095.185476	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+H"	1.007276
"676860"	1642.274576	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+H"	1.007276
"1351622"	548.096376	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H"	1.007276
"126252"	548.096376	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+2H"	2.014552
"565827"	821.640926	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+2H"	2.014552
"1037609"	274.551826	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2H"	2.014552
"204543"	365.733342666667	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+3H"	3.021828
"646534"	548.096376	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+3H"	3.021828
"1163200"	183.370309333333	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+3H"	3.021828
"428676"	1112.212023	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+NH4"	18.033823
"791854"	1659.301123	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+NH4"	18.033823
"1695485"	565.122923	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+NH4"	18.033823
"345430"	556.6096495	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+H+NH4"	19.041099
"736912"	830.1541995	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+H+NH4"	19.041099
"1491948"	283.0650995	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H+NH4"	19.041099
"403581"	1117.167418	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+Na"	22.989218
"762390"	1664.256518	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+Na"	22.989218
"1617050"	570.078318	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Na"	22.989218
"324902"	559.087347	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+H+Na"	23.996494
"714042"	832.631897	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+H+Na"	23.996494
"1471143"	285.542797	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H+Na"	23.996494
"1064391"	190.697623333333	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2H+Na"	25.00377
"1270447"	580.122586	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+CH3OH+H"	33.033486
"387925"	1133.141358	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+K"	38.963158
"747829"	1680.230458	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+K"	38.963158
"1548787"	586.052258	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+K"	38.963158
"309242"	567.074317	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+H+K"	39.970434
"700570"	840.618867	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+H+K"	39.970434
"1450379"	293.529767	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H+K"	39.970434
"239345"	1136.212026	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+ACN+H"	42.033826
"1212421"	589.122926	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+ACN+H"	42.033826
"1196667"	295.065101	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+ACN+2H"	43.041102
"196828"	1139.14936	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+2Na-H"	44.97116
"638574"	1686.23846	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+2Na-H"	44.97116
"1136613"	592.06026	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2Na-H"	44.97116
"175528"	570.078318	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+2Na"	45.978436
"613874"	843.622868	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+2Na"	45.978436
"1118593"	296.533768	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2Na"	45.978436
"1402117"	198.024937333333	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H+2Na"	46.985712
"1439702"	594.101846	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H+HCOOH"	47.012746
"222836"	575.11134	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+3H2O+2H"	56.04448
"1511994"	608.15389	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+IsoProp+H"	61.06479
"412771"	578.065288	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+Na+K"	61.952376
"773765"	851.609838	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+Na+K"	61.952376
"1667909"	304.520738	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Na+K"	61.952376
"254430"	1158.193968	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+ACN+Na"	64.015768
"1226413"	611.104868	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+ACN+Na"	64.015768
"1716397"	611.128393	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+NH4+HCOOH"	64.039293
"1183580"	205.352251333333	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+3Na"	68.967654
"1660034"	616.083788	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Na+HCOOH"	68.994688
"164707"	1171.09724	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+2K-H"	76.91904
"607549"	1718.18634	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+2K-H"	76.91904
"1094249"	624.00814	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2K-H"	76.91904
"149972"	586.052258	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"2M+2K"	77.926316
"593909"	859.596808	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"3M+2K"	77.926316
"1081701"	312.507708	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2K"	77.926316
"1111633"	626.022692	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2K+H"	78.933592
"1346925"	626.110307	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+DMSO+H"	79.021207
"1020076"	630.149476	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2ACN+H"	83.060376
"1537954"	631.143108	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+IsoProp+Na+H"	84.054008
"1000029"	315.578376	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+2ACN+2H"	84.067652
"1595626"	632.057728	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+K+HCOOH"	84.968628
"1424566"	662.089238	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+H+CF3COOH"	115.000138
"1152668"	336.091651	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+3ACN+2H"	125.094202
"1700031"	679.115785	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+NH4+CF3COOH"	132.026685
"1647349"	684.07118	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+Na+CF3COOH"	136.98208
"1574615"	700.04512	"C14817"	"BMS 379224"	"C23H20F2N5O5PS"	"547.0891"	"M+K+CF3COOH"	152.95602
"801863"	55.9349	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M"	0
"988360"	36.91651	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-H2O-H"	-19.01839
"72232"	36.2826573333333	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M-3H"	-3.021828
"512888"	54.927624	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M-3H"	-3.021828
"884127"	17.6376906666667	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-3H"	-3.021828
"5983"	54.927624	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M-2H"	-2.014552
"445543"	82.895074	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M-2H"	-2.014552
"826626"	26.960174	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-2H"	-2.014552
"90991"	110.862524	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M-H"	-1.007276
"532737"	166.797424	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M-H"	-1.007276
"903980"	54.927624	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-H"	-1.007276
"59450"	127.889071	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M-2H+NH4"	16.019271
"497921"	183.823971	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M-2H+NH4"	16.019271
"873536"	71.954171	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-2H+NH4"	16.019271
"41435"	132.844466	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M-2H+Na"	20.974666
"478807"	188.779366	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M-2H+Na"	20.974666
"851142"	76.909566	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-2H+Na"	20.974666
"1620677"	76.909566	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Na-2H"	20.974666
"96839"	72.915963	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M-H+Cl"	33.962126
"540046"	100.883413	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M-H+Cl"	33.962126
"929187"	44.948513	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-H+Cl"	33.962126
"271390"	146.839202	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+Cl"	34.969402
"666728"	202.774102	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+Cl"	34.969402
"1281318"	90.904302	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Cl"	34.969402
"17070"	148.818406	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M-2H+K"	36.948606
"459795"	204.753306	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M-2H+K"	36.948606
"833823"	92.883506	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-2H+K"	36.948606
"1557067"	92.883506	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+K-2H"	36.948606
"947505"	100.933094	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-H+HCOOH"	44.998194
"366451"	156.868001	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+HCOOH-H"	44.998201
"350699"	170.883651	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+Hac-H"	59.013851
"1498071"	114.948751	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Hac-H"	59.013851
"963791"	122.915051	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-H+NaCOOH"	66.980151
"115615"	90.904302	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+2Cl"	69.938804
"558459"	118.871752	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+2Cl"	69.938804
"1028717"	62.936852	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2Cl"	69.938804
"1245010"	134.853785	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Br"	78.918885
"1307096"	136.909772	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Cl+HCOOH"	80.974872
"1320948"	158.891729	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Cl+NaCOOH"	102.956829
"911383"	168.920486	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M-H+CF3COOH"	112.985586
"1290903"	204.897164	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Cl+CF3COOH"	148.962264
"1371619"	20.922224	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H-2H2O"	-35.012676
"1387659"	38.9322	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H-H2O"	-17.0027
"284793"	112.877076	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+H"	1.007276
"677943"	168.811976	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+H"	1.007276
"1351349"	56.942176	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H"	1.007276
"126200"	56.942176	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+2H"	2.014552
"566128"	84.909626	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+2H"	2.014552
"1037966"	28.974726	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2H"	2.014552
"204572"	38.2972093333333	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+3H"	3.021828
"645916"	56.942176	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+3H"	3.021828
"1164038"	19.6522426666667	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+3H"	3.021828
"429879"	129.903623	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+NH4"	18.033823
"793058"	185.838523	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+NH4"	18.033823
"1695956"	73.968723	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+NH4"	18.033823
"345255"	65.4554495	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+H+NH4"	19.041099
"737995"	93.4228995	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+H+NH4"	19.041099
"1490477"	37.4879995	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H+NH4"	19.041099
"408399"	134.859018	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+Na"	22.989218
"764687"	190.793918	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+Na"	22.989218
"1616067"	78.924118	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Na"	22.989218
"327199"	67.933147	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+H+Na"	23.996494
"715246"	95.900597	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+H+Na"	23.996494
"1470160"	39.965697	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H+Na"	23.996494
"1065595"	26.9795566666667	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2H+Na"	25.00377
"1268368"	88.968386	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+CH3OH+H"	33.033486
"389860"	150.832958	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+K"	38.963158
"751221"	206.767858	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+K"	38.963158
"1553269"	94.898058	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+K"	38.963158
"310448"	75.920117	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+H+K"	39.970434
"701773"	103.887567	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+H+K"	39.970434
"1452313"	47.952667	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H+K"	39.970434
"243102"	153.903626	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+ACN+H"	42.033826
"1215811"	97.968726	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+ACN+H"	42.033826
"1202973"	49.488001	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+ACN+2H"	43.041102
"195844"	156.84096	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+2Na-H"	44.97116
"637591"	212.77586	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+2Na-H"	44.97116
"1137817"	100.90606	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2Na-H"	44.97116
"178917"	78.924118	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+2Na"	45.978436
"616294"	106.891568	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+2Na"	45.978436
"1119796"	50.956668	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2Na"	45.978436
"1404414"	34.3068706666667	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H+2Na"	46.985712
"1439812"	102.947646	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H+HCOOH"	47.012746
"224040"	83.95714	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+3H2O+2H"	56.04448
"1511010"	116.99969	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+IsoProp+H"	61.06479
"412152"	86.911088	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+Na+K"	61.952376
"773876"	114.878538	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+Na+K"	61.952376
"1668382"	58.943638	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Na+K"	61.952376
"253079"	175.885568	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+ACN+Na"	64.015768
"1227618"	119.950668	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+ACN+Na"	64.015768
"1717239"	119.974193	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+NH4+HCOOH"	64.039293
"1182596"	41.6341846666667	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+3Na"	68.967654
"1660144"	124.929588	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Na+HCOOH"	68.994688
"164818"	188.78884	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+2K-H"	76.91904
"609846"	244.72374	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+2K-H"	76.91904
"1096545"	132.85394	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2K-H"	76.91904
"150081"	94.898058	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"2M+2K"	77.926316
"594018"	122.865508	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"3M+2K"	77.926316
"1079623"	66.930608	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2K"	77.926316
"1113930"	134.868492	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2K+H"	78.933592
"1347035"	134.956107	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+DMSO+H"	79.021207
"1018845"	138.995276	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2ACN+H"	83.060376
"1532596"	139.988908	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+IsoProp+Na+H"	84.054008
"999044"	70.001276	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+2ACN+2H"	84.067652
"1593549"	140.903528	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+K+HCOOH"	84.968628
"1423583"	170.935038	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+H+CF3COOH"	115.000138
"1152778"	90.514551	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+3ACN+2H"	125.094202
"1698320"	187.961585	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+NH4+CF3COOH"	132.026685
"1646730"	192.91698	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+Na+CF3COOH"	136.98208
"1576912"	208.89092	"C14818"	"Fe2;Fe(II);Ferrous ion;Iron(2)"	"Fe"	"55.9349"	"M+K+CF3COOH"	152.95602
"801812"	55.9349	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M"	0
"988957"	36.91651	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-H2O-H"	-19.01839
"66144"	36.2826573333333	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M-3H"	-3.021828
"510809"	54.927624	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M-3H"	-3.021828
"883145"	17.6376906666667	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-3H"	-3.021828
"4999"	54.927624	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M-2H"	-2.014552
"443465"	82.895074	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M-2H"	-2.014552
"823455"	26.960174	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-2H"	-2.014552
"82717"	110.862524	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M-H"	-1.007276
"528473"	166.797424	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M-H"	-1.007276
"904090"	54.927624	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-H"	-1.007276
"58467"	127.889071	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M-2H+NH4"	16.019271
"496932"	183.823971	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M-2H+NH4"	16.019271
"875831"	71.954171	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-2H+NH4"	16.019271
"43731"	132.844466	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M-2H+Na"	20.974666
"472069"	188.779366	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M-2H+Na"	20.974666
"849185"	76.909566	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-2H+Na"	20.974666
"1618796"	76.909566	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Na-2H"	20.974666
"94797"	72.915963	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M-H+Cl"	33.962126
"535415"	100.883413	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M-H+Cl"	33.962126
"927467"	44.948513	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-H+Cl"	33.962126
"270771"	146.839202	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+Cl"	34.969402
"664651"	202.774102	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+Cl"	34.969402
"1277055"	90.904302	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Cl"	34.969402
"17059"	148.818406	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M-2H+K"	36.948606
"456258"	204.753306	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M-2H+K"	36.948606
"833326"	92.883506	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-2H+K"	36.948606
"1556693"	92.883506	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+K-2H"	36.948606
"947250"	100.933094	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-H+HCOOH"	44.998194
"363279"	156.868001	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+HCOOH-H"	44.998201
"347891"	170.883651	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+Hac-H"	59.013851
"1498181"	114.948751	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Hac-H"	59.013851
"963171"	122.915051	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-H+NaCOOH"	66.980151
"114630"	90.904302	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+2Cl"	69.938804
"554193"	118.871752	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+2Cl"	69.938804
"1028097"	62.936852	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2Cl"	69.938804
"1243661"	134.853785	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Br"	78.918885
"1304774"	136.909772	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Cl+HCOOH"	80.974872
"1320570"	158.891729	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Cl+NaCOOH"	102.956829
"911751"	168.920486	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M-H+CF3COOH"	112.985586
"1289067"	204.897164	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Cl+CF3COOH"	148.962264
"1369175"	20.922224	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H-2H2O"	-35.012676
"1383632"	38.9322	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H-H2O"	-17.0027
"284292"	112.877076	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+H"	1.007276
"676227"	168.811976	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+H"	1.007276
"1351601"	56.942176	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H"	1.007276
"126349"	56.942176	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+2H"	2.014552
"566485"	84.909626	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+2H"	2.014552
"1037465"	28.974726	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2H"	2.014552
"205372"	38.2972093333333	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+3H"	3.021828
"647118"	56.942176	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+3H"	3.021828
"1164149"	19.6522426666667	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+3H"	3.021828
"434362"	129.903623	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+NH4"	18.033823
"794261"	185.838523	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+NH4"	18.033823
"1696431"	73.968723	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+NH4"	18.033823
"345560"	65.4554495	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+H+NH4"	19.041099
"737497"	93.4228995	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+H+NH4"	19.041099
"1490587"	37.4879995	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H+NH4"	19.041099
"408179"	134.859018	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+Na"	22.989218
"761515"	190.793918	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+Na"	22.989218
"1612895"	78.924118	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Na"	22.989218
"325121"	67.933147	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+H+Na"	23.996494
"715356"	95.900597	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+H+Na"	23.996494
"1470270"	39.965697	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H+Na"	23.996494
"1065705"	26.9795566666667	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2H+Na"	25.00377
"1268478"	88.968386	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+CH3OH+H"	33.033486
"388147"	150.832958	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+K"	38.963158
"749144"	206.767858	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+K"	38.963158
"1554108"	94.898058	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+K"	38.963158
"310555"	75.920117	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+H+K"	39.970434
"702975"	103.887567	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+H+K"	39.970434
"1453517"	47.952667	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H+K"	39.970434
"243211"	153.903626	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+ACN+H"	42.033826
"1215921"	97.968726	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+ACN+H"	42.033826
"1201990"	49.488001	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+ACN+2H"	43.041102
"195954"	156.84096	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+2Na-H"	44.97116
"632234"	212.77586	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+2Na-H"	44.97116
"1133553"	100.90606	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2Na-H"	44.97116
"175749"	78.924118	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+2Na"	45.978436
"616404"	106.891568	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+2Na"	45.978436
"1118812"	50.956668	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2Na"	45.978436
"1404524"	34.3068706666667	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H+2Na"	46.985712
"1435548"	102.947646	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H+HCOOH"	47.012746
"225244"	83.95714	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+3H2O+2H"	56.04448
"1514399"	116.99969	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+IsoProp+H"	61.06479
"412991"	86.911088	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+Na+K"	61.952376
"777266"	114.878538	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+Na+K"	61.952376
"1670316"	58.943638	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Na+K"	61.952376
"256102"	175.885568	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+ACN+Na"	64.015768
"1227728"	119.950668	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+ACN+Na"	64.015768
"1715891"	119.974193	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+NH4+HCOOH"	64.039293
"1182706"	41.6341846666667	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+3Na"	68.967654
"1660254"	124.929588	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Na+HCOOH"	68.994688
"163834"	188.78884	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+2K-H"	76.91904
"607769"	244.72374	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+2K-H"	76.91904
"1092281"	132.85394	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2K-H"	76.91904
"149098"	94.898058	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"2M+2K"	77.926316
"590849"	122.865508	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"3M+2K"	77.926316
"1080827"	66.930608	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2K"	77.926316
"1110760"	134.868492	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2K+H"	78.933592
"1347145"	134.956107	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+DMSO+H"	79.021207
"1016768"	138.995276	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2ACN+H"	83.060376
"1532705"	139.988908	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+IsoProp+Na+H"	84.054008
"998060"	70.001276	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+2ACN+2H"	84.067652
"1593659"	140.903528	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+K+HCOOH"	84.968628
"1424786"	170.935038	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+H+CF3COOH"	115.000138
"1151794"	90.514551	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+3ACN+2H"	125.094202
"1699158"	187.961585	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+NH4+CF3COOH"	132.026685
"1646840"	192.91698	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+Na+CF3COOH"	136.98208
"1577022"	208.89092	"C14819"	"Fe3;Fe(III);Ferric ion;Iron(3)"	"Fe"	"55.9349"	"M+K+CF3COOH"	152.95602
"801674"	336.2301	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M"	0
"987122"	317.21171	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"65890"	223.146124	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"513106"	335.222824	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"886535"	111.069424	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"4380"	335.222824	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"444670"	503.337874	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"823565"	167.107774	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"80640"	671.452924	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"523116"	1007.683024	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"904200"	335.222824	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"57484"	688.479471	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"497042"	1024.709571	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"874848"	352.249371	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"43475"	693.434866	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"471650"	1029.664966	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"849172"	357.204766	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1618522"	357.204766	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"94403"	353.211163	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"534673"	521.326213	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"927115"	185.096113	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"271246"	707.429602	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"664761"	1043.659702	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1276071"	371.199502	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"15908"	709.408806	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"456731"	1045.638906	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"834288"	373.178706	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1557655"	373.178706	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"944444"	381.228294	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"363389"	717.458401	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"347273"	731.474051	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1498291"	395.243951	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"960365"	403.210251	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"113646"	371.199502	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"553574"	539.314552	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1027478"	203.084452	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1243771"	415.148985	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1305126"	417.204972	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1320558"	439.186929	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"911691"	449.215686	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1289092"	485.192364	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1368798"	301.217424	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1383372"	319.2274	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"284404"	673.467476	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"676702"	1009.697576	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1351992"	337.237376	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"126055"	337.237376	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"566467"	505.352426	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1037817"	169.122326	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"205479"	225.160676	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"645403"	337.237376	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1165719"	113.083976	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"434473"	690.494023	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"793278"	1026.724123	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1695812"	354.263923	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"343729"	345.7506495	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"737730"	513.8656995	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1490697"	177.6355995	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"407558"	695.449418	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"760531"	1031.679518	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1614098"	359.219318	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"321949"	348.228347	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"712186"	516.343397	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1469287"	180.113297	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1062535"	120.41129	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1267495"	369.263586	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"390440"	711.423358	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"752166"	1047.653458	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1552397"	375.193258	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"308478"	356.215317	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"700899"	524.330367	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1451441"	188.100267	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"242228"	714.494026	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1217125"	378.263926	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1201007"	189.635601	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"193878"	717.43136	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"634531"	1053.66146	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1134391"	381.20126	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"175859"	359.219318	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"616878"	527.334368	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1117830"	191.104268	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1402448"	127.738604	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1436752"	383.242846	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"225354"	364.25234	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1512323"	397.29489	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"413099"	367.206288	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"774461"	535.321338	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1668237"	199.091238	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"252567"	736.475968	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1226296"	400.245868	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1714542"	400.269393	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1181723"	135.065918	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1659271"	405.224788	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"161756"	749.37924	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"606785"	1085.60934	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1093485"	413.14914	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"150302"	375.193258	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"593144"	543.308308	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1080937"	207.078208	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1113056"	415.163692	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1347255"	415.251307	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1020038"	419.290476	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1536097"	420.284108	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"995983"	210.148876	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1591582"	421.198728	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1419429"	451.230238	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1148624"	230.662151	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1698175"	468.256785	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1648043"	473.21218	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1577132"	489.18612	"C14820"	"11(R)-HPETE;(5Z8Z12E14Z)-(11R)-Hydroperoxyeicosa-581214-tetraenoic acid;(5Z8Z12E14Z)-(11R)-Hydroperoxyicosa-581214-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"802517"	336.2301	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M"	0
"986502"	317.21171	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"67092"	223.146124	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"513214"	335.222824	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"883364"	111.069424	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"4126"	335.222824	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"444780"	503.337874	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"823675"	167.107774	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"80750"	671.452924	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"523226"	1007.683024	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"907590"	335.222824	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"58688"	688.479471	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"497152"	1024.709571	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"877750"	352.249371	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"43949"	693.434866	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"472205"	1029.664966	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"849404"	357.204766	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1619053"	357.204766	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"94735"	353.211163	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"534905"	521.326213	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"928787"	185.096113	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"271356"	707.429602	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"664871"	1043.659702	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1277274"	371.199502	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"17766"	709.408806	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"459394"	1045.638906	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"835370"	373.178706	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1559952"	373.178706	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"945282"	381.228294	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"362161"	717.458401	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"347383"	731.474051	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1498401"	395.243951	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"960959"	403.210251	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"114485"	371.199502	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"555506"	539.314552	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1026494"	203.084452	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1242300"	415.148985	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1304628"	417.204972	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1320216"	439.186929	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"911965"	449.215686	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1288801"	485.192364	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1368056"	301.217424	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1384705"	319.2274	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"284758"	673.467476	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"677059"	1009.697576	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1351824"	337.237376	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"125922"	337.237376	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"565779"	505.352426	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1037091"	169.122326	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"204531"	225.160676	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"645511"	337.237376	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1164368"	113.083976	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"435676"	690.494023	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"795574"	1026.724123	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1696775"	354.263923	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"345511"	345.7506495	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"738050"	513.8656995	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1492431"	177.6355995	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"408163"	695.449418	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"766109"	1031.679518	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1617487"	359.219318	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"325337"	348.228347	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"719946"	516.343397	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1471583"	180.113297	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1063738"	120.41129	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1269791"	369.263586	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"389457"	711.423358	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"753735"	1047.653458	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1552505"	375.193258	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"309681"	356.215317	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"701009"	524.330367	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1451552"	188.100267	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"244526"	714.494026	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1216142"	378.263926	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1202211"	189.635601	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"197268"	717.43136	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"635734"	1053.66146	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1139240"	381.20126	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"177063"	359.219318	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"619905"	527.334368	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1116847"	191.104268	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1402558"	127.738604	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1441236"	383.242846	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"228745"	364.25234	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1515714"	397.29489	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"409565"	367.206288	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"774208"	535.321338	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1668711"	199.091238	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"252802"	736.475968	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1225797"	400.245868	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1715747"	400.269393	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1182926"	135.065918	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1658288"	405.224788	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"161867"	749.37924	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"600334"	1085.60934	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1091407"	413.14914	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"150412"	375.193258	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"593254"	543.308308	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1082140"	207.078208	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1114264"	415.163692	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1348100"	415.251307	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1019906"	419.290476	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1538031"	420.284108	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"1000467"	210.148876	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1590598"	421.198728	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1419538"	451.230238	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1149828"	230.662151	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1697433"	468.256785	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1648153"	473.21218	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1573962"	489.18612	"C14821"	"9(S)-HPETE;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyeicosa-571114-tetraenoic acid;(5Z7E11Z14Z)-(9S)-9-Hydroperoxyicosa-571114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"803236"	320.2351	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"987706"	301.21671	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"69388"	212.482790666667	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"511138"	319.227824	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"885660"	105.737757333333	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"5329"	319.227824	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"444890"	479.345374	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"823785"	159.110274	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"80496"	639.462924	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"523336"	959.698024	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"906607"	319.227824	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"59890"	656.489471	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"497261"	976.724571	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"877616"	336.254371	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"44424"	661.444866	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"472926"	981.679966	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"848905"	341.209766	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1619288"	341.209766	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"95002"	337.216163	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"534527"	497.333713	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"929018"	177.098613	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"269643"	675.439602	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"664981"	995.674702	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1277384"	355.204502	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"17876"	677.418806	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"460233"	997.653906	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"832857"	357.183706	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1558967"	357.183706	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"945028"	365.233294	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"364701"	685.468401	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"349315"	699.484051	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1494501"	379.248951	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"960219"	387.215251	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"114595"	355.204502	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"553064"	515.322052	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1025511"	195.086952	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1242896"	399.153985	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1304858"	401.209972	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1321019"	423.191929	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"912196"	433.220686	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1288486"	469.197364	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1367317"	285.222424	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1383722"	303.2324	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"282940"	641.477476	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"676237"	961.712576	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1351484"	321.242376	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"125906"	321.242376	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"565725"	481.359926	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1037210"	161.124826	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"204966"	214.497342666667	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"644894"	321.242376	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1164115"	107.752309333333	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"435783"	658.504023	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"797870"	978.739123	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1695303"	338.268923	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"345661"	329.7556495	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"738355"	489.8731995	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1491646"	169.6380995	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"408421"	663.459418	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"769915"	983.694518	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1616503"	343.224318	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"329337"	332.233347	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"720055"	492.350897	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1472782"	172.115797	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1062748"	115.079623333333	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1266616"	353.268586	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"390296"	679.433358	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"751293"	999.668458	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1551522"	359.198258	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"308698"	340.220317	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"702212"	500.337867	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1452754"	180.102767	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"246822"	682.504026	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1220625"	362.268926	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1202321"	181.638101	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"198471"	685.44136	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"635844"	1005.67646	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1139350"	365.20626	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"180453"	343.224318	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"616736"	503.341868	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1122425"	183.106768	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1407042"	122.406937333333	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1435880"	367.247846	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"225575"	348.25734	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1513637"	381.29989	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"409190"	351.211288	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"774317"	511.328838	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1666268"	191.093738	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"251694"	704.485968	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1225745"	384.250868	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1716586"	384.274393	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1185222"	129.734251333333	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1660584"	389.229788	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"161977"	717.38924	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"602630"	1037.62434	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1091517"	397.15414	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"145054"	359.198258	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"591176"	519.315808	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1073499"	199.080708	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1114491"	399.168692	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1348566"	399.256307	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1020379"	403.295476	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1536316"	404.289108	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1000578"	202.151376	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1592894"	405.203728	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1420741"	435.235238	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1153218"	222.664651	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1698030"	452.261785	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1648263"	457.21718	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1575165"	473.19112	"C14822"	"12(R)-HETE;(5Z8Z10E14Z)-(12R)-12-Hydroxyeicosa-581014-tetraenoic acid;(5Z8Z10E14Z)-(12R)-12-Hydroxyicosa-581014-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"813190"	336.2301	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M"	0
"983443"	317.21171	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H2O-H"	-19.01839
"64396"	223.146124	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-3H"	-3.021828
"506874"	335.222824	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-3H"	-3.021828
"883217"	111.069424	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-3H"	-3.021828
"8718"	335.222824	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H"	-2.014552
"443905"	503.337874	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H"	-2.014552
"822801"	167.107774	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H"	-2.014552
"78903"	671.452924	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H"	-1.007276
"521259"	1007.683024	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H"	-1.007276
"906353"	335.222824	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H"	-1.007276
"58905"	688.479471	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+NH4"	16.019271
"495915"	1024.709571	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+NH4"	16.019271
"874446"	352.249371	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+NH4"	16.019271
"42711"	693.434866	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+Na"	20.974666
"471488"	1029.664966	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+Na"	20.974666
"849014"	357.204766	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+Na"	20.974666
"1619034"	357.204766	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na-2H"	20.974666
"94829"	353.211163	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-H+Cl"	33.962126
"536223"	521.326213	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-H+Cl"	33.962126
"927668"	185.096113	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+Cl"	33.962126
"269755"	707.429602	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Cl"	34.969402
"663268"	1043.659702	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Cl"	34.969402
"1274578"	371.199502	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl"	34.969402
"17257"	709.408806	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M-2H+K"	36.948606
"460342"	1045.638906	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M-2H+K"	36.948606
"833036"	373.178706	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-2H+K"	36.948606
"1560901"	373.178706	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K-2H"	36.948606
"943314"	381.228294	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+HCOOH"	44.998194
"365904"	717.458401	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+HCOOH-H"	44.998201
"346872"	731.474051	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Hac-H"	59.013851
"1497165"	395.243951	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Hac-H"	59.013851
"960327"	403.210251	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+NaCOOH"	66.980151
"114705"	371.199502	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Cl"	69.938804
"554631"	539.314552	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Cl"	69.938804
"1022089"	203.084452	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Cl"	69.938804
"1244828"	415.148985	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Br"	78.918885
"1305819"	417.204972	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+HCOOH"	80.974872
"1320763"	439.186929	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+NaCOOH"	102.956829
"912914"	449.215686	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M-H+CF3COOH"	112.985586
"1288574"	485.192364	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Cl+CF3COOH"	148.962264
"1367260"	301.217424	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-2H2O"	-35.012676
"1382978"	319.2274	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H-H2O"	-17.0027
"282942"	673.467476	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H"	1.007276
"675804"	1009.697576	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H"	1.007276
"1351468"	337.237376	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H"	1.007276
"125934"	337.237376	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2H"	2.014552
"566107"	505.352426	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2H"	2.014552
"1037904"	169.122326	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H"	2.014552
"205075"	225.160676	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H"	3.021828
"645245"	337.237376	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+3H"	3.021828
"1164221"	113.083976	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3H"	3.021828
"433704"	690.494023	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+NH4"	18.033823
"789232"	1026.724123	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+NH4"	18.033823
"1688843"	354.263923	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4"	18.033823
"330019"	345.7506495	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+NH4"	19.041099
"731735"	513.8656995	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+NH4"	19.041099
"1491392"	177.6355995	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+NH4"	19.041099
"408507"	695.449418	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na"	22.989218
"766329"	1031.679518	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na"	22.989218
"1617587"	359.219318	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na"	22.989218
"328595"	348.228347	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+Na"	23.996494
"720165"	516.343397	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+Na"	23.996494
"1472892"	180.113297	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+Na"	23.996494
"1061765"	120.41129	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2H+Na"	25.00377
"1266726"	369.263586	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+CH3OH+H"	33.033486
"389677"	711.423358	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+K"	38.963158
"750674"	1047.653458	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+K"	38.963158
"1551632"	375.193258	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K"	38.963158
"308809"	356.215317	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+H+K"	39.970434
"702322"	524.330367	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+H+K"	39.970434
"1450677"	188.100267	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+K"	39.970434
"246933"	714.494026	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+H"	42.033826
"1218548"	378.263926	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+H"	42.033826
"1202431"	189.635601	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+2H"	43.041102
"195299"	717.43136	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na-H"	44.97116
"635954"	1053.66146	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na-H"	44.97116
"1140554"	381.20126	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na-H"	44.97116
"183843"	359.219318	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2Na"	45.978436
"616846"	527.334368	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2Na"	45.978436
"1126181"	191.104268	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2Na"	45.978436
"1411163"	127.738604	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+2Na"	46.985712
"1439271"	383.242846	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+HCOOH"	47.012746
"225685"	364.25234	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+3H2O+2H"	56.04448
"1512653"	397.29489	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+H"	61.06479
"410514"	367.206288	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+Na+K"	61.952376
"771874"	535.321338	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+Na+K"	61.952376
"1666376"	199.091238	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+K"	61.952376
"252531"	736.475968	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+ACN+Na"	64.015768
"1226222"	400.245868	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+ACN+Na"	64.015768
"1717792"	400.269393	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+HCOOH"	64.039293
"1186427"	135.065918	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3Na"	68.967654
"1658507"	405.224788	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+HCOOH"	68.994688
"164275"	749.37924	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K-H"	76.91904
"603835"	1085.60934	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K-H"	76.91904
"1091628"	413.14914	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K-H"	76.91904
"148445"	375.193258	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"2M+2K"	77.926316
"593474"	543.308308	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"3M+2K"	77.926316
"1081267"	207.078208	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K"	77.926316
"1114846"	415.163692	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2K+H"	78.933592
"1346488"	415.251307	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+DMSO+H"	79.021207
"1016113"	419.290476	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+H"	83.060376
"1535333"	420.284108	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+IsoProp+Na+H"	84.054008
"1002874"	210.148876	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+2ACN+2H"	84.067652
"1589723"	421.198728	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+HCOOH"	84.968628
"1418664"	451.230238	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+H+CF3COOH"	115.000138
"1150048"	230.662151	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+3ACN+2H"	125.094202
"1701788"	468.256785	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+NH4+CF3COOH"	132.026685
"1639625"	473.21218	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+Na+CF3COOH"	136.98208
"1573090"	489.18612	"C14823"	"8(S)-HPETE;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8S)-8-Hydroperoxyicosa-591114-tetraenoic acid"	"C20H32O4"	"336.2301"	"M+K+CF3COOH"	152.95602
"802362"	320.2351	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M"	0
"986836"	301.21671	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"63222"	212.482790666667	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"510264"	319.227824	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"884786"	105.737757333333	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"7736"	319.227824	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"448389"	479.345374	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"822912"	159.110274	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"79744"	639.462924	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"519546"	959.698024	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"906463"	319.227824	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"57558"	656.489471	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"496025"	976.724571	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"873463"	336.254371	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"43553"	661.444866	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"472298"	981.679966	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"851801"	341.209766	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1622428"	341.209766	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"94374"	337.216163	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"536326"	497.333713	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"927896"	177.098613	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"267339"	675.439602	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"660075"	995.674702	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1272893"	355.204502	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"18340"	677.418806	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"458632"	997.653906	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"832979"	357.183706	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1558095"	357.183706	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"943465"	365.233294	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"364191"	685.468401	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"346293"	699.484051	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1494725"	379.248951	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"960799"	387.215251	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"112628"	355.204502	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"551096"	515.322052	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1023540"	195.086952	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1242629"	399.153985	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1304588"	401.209972	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1320266"	423.191929	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"911930"	433.220686	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1290835"	469.197364	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1367131"	285.222424	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1384671"	303.2324	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"284360"	641.477476	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"675845"	961.712576	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1351430"	321.242376	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"125840"	321.242376	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"565809"	481.359926	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1037407"	161.124826	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"205185"	214.497342666667	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"645720"	321.242376	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1164938"	107.752309333333	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"432721"	658.504023	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"786344"	978.739123	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1685673"	338.268923	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"330900"	329.7556495	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"732938"	489.8731995	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1490774"	169.6380995	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"407755"	663.459418	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"767532"	983.694518	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1616603"	343.224318	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"328707"	332.233347	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"721007"	492.350897	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1473366"	172.115797	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1062967"	115.079623333333	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1266835"	353.268586	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"385412"	679.433358	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"746407"	999.668458	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1549554"	359.198258	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"311107"	340.220317	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"702068"	500.337867	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1451882"	180.102767	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"248136"	682.504026	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1214285"	362.268926	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1201447"	181.638101	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"197597"	685.44136	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"639343"	1005.67646	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1140662"	365.20626	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"182859"	343.224318	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"623151"	503.341868	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1125928"	183.106768	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1406171"	122.406937333333	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1432820"	367.247846	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"219993"	348.25734	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1509605"	381.29989	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"408592"	351.211288	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"771256"	511.328838	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1666365"	191.093738	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"251549"	704.485968	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1226808"	384.250868	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1722277"	384.274393	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1186537"	129.734251333333	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1658617"	389.229788	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"164386"	717.38924	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"607225"	1037.62434	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1090644"	397.15414	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"148555"	359.198258	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590302"	519.315808	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1078096"	199.080708	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1111305"	399.168692	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1346597"	399.256307	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1014035"	403.295476	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1534347"	404.289108	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1001891"	202.151376	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1593115"	405.203728	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1419868"	435.235238	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1151251"	222.664651	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1700805"	452.261785	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1643015"	457.21718	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1574293"	473.19112	"C14824"	"8(R)-HETE;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoate;(5Z9E11Z14Z)-(8R)-8-Hydroxyeicosa-591114-tetraenoic acid;(5Z9E11Z14Z)-(8R)-8-Hydroxyicosa-591114-tetraenoic acid"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"802836"	296.2351	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M"	0
"988402"	277.21671	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H2O-H"	-19.01839
"73001"	196.482790666667	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-3H"	-3.021828
"515843"	295.227824	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-3H"	-3.021828
"884897"	97.7377573333333	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-3H"	-3.021828
"5659"	295.227824	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H"	-2.014552
"446313"	443.345374	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H"	-2.014552
"828490"	147.110274	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H"	-2.014552
"87389"	591.462924	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-H"	-1.007276
"519901"	887.698024	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-H"	-1.007276
"900377"	295.227824	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H"	-1.007276
"54752"	608.489471	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+NH4"	16.019271
"495406"	904.724571	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+NH4"	16.019271
"874301"	312.254371	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+NH4"	16.019271
"44027"	613.444866	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+Na"	20.974666
"474111"	909.679966	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+Na"	20.974666
"857378"	317.209766	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+Na"	20.974666
"1623631"	317.209766	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na-2H"	20.974666
"94309"	313.216163	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-H+Cl"	33.962126
"534356"	461.333713	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-H+Cl"	33.962126
"928858"	165.098613	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+Cl"	33.962126
"269602"	627.439602	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Cl"	34.969402
"659947"	923.674702	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Cl"	34.969402
"1272897"	331.204502	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl"	34.969402
"17722"	629.418806	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+K"	36.948606
"458741"	925.653906	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+K"	36.948606
"835084"	333.183706	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+K"	36.948606
"1558571"	333.183706	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K-2H"	36.948606
"944992"	341.233294	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+HCOOH"	44.998194
"363207"	637.468401	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+HCOOH-H"	44.998201
"347820"	651.484051	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Hac-H"	59.013851
"1493738"	355.248951	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Hac-H"	59.013851
"963104"	363.215251	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+NaCOOH"	66.980151
"111280"	331.204502	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Cl"	69.938804
"550597"	479.322052	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Cl"	69.938804
"1022557"	183.086952	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Cl"	69.938804
"1242499"	375.153985	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Br"	78.918885
"1304701"	377.209972	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+HCOOH"	80.974872
"1321107"	399.191929	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+NaCOOH"	102.956829
"911677"	409.220686	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+CF3COOH"	112.985586
"1295321"	445.197364	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+CF3COOH"	148.962264
"1371659"	261.222424	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H-2H2O"	-35.012676
"1384052"	279.2324	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H-H2O"	-17.0027
"291762"	593.477476	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H"	1.007276
"678719"	889.712576	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H"	1.007276
"1351902"	297.242376	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H"	1.007276
"126488"	297.242376	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2H"	2.014552
"566415"	445.359926	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2H"	2.014552
"1037271"	149.124826	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2H"	2.014552
"205294"	198.497342666667	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+3H"	3.021828
"645222"	297.242376	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+3H"	3.021828
"1163709"	99.7523093333333	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+3H"	3.021828
"425419"	610.504023	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+NH4"	18.033823
"786047"	906.739123	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+NH4"	18.033823
"1683596"	314.268923	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4"	18.033823
"330649"	305.7556495	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+NH4"	19.041099
"735234"	453.8731995	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+NH4"	19.041099
"1491623"	157.6380995	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+NH4"	19.041099
"407994"	615.459418	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Na"	22.989218
"768618"	911.694518	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Na"	22.989218
"1616471"	319.224318	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na"	22.989218
"326873"	308.233347	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+Na"	23.996494
"720387"	456.350897	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+Na"	23.996494
"1472020"	160.115797	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+Na"	23.996494
"1063078"	107.079623333333	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2H+Na"	25.00377
"1269136"	329.268586	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+CH3OH+H"	33.033486
"388805"	631.433358	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+K"	38.963158
"748706"	927.668458	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+K"	38.963158
"1549664"	335.198258	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K"	38.963158
"310123"	316.220317	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+K"	39.970434
"701449"	464.337867	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+K"	39.970434
"1448710"	168.102767	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+K"	39.970434
"242778"	634.504026	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+H"	42.033826
"1217673"	338.268926	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+H"	42.033826
"1198276"	169.638101	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+2H"	43.041102
"193334"	637.44136	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Na-H"	44.97116
"635080"	933.67646	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Na-H"	44.97116
"1138587"	341.20626	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Na-H"	44.97116
"181876"	319.224318	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Na"	45.978436
"621436"	467.341868	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Na"	45.978436
"1124944"	171.106768	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Na"	45.978436
"1404094"	114.406937333333	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+2Na"	46.985712
"1436208"	343.247846	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+HCOOH"	47.012746
"224810"	324.25734	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+3H2O+2H"	56.04448
"1513967"	357.29989	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+H"	61.06479
"410492"	327.211288	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Na+K"	61.952376
"771365"	475.328838	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Na+K"	61.952376
"1667086"	179.093738	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+K"	61.952376
"252271"	656.485968	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+Na"	64.015768
"1225871"	360.250868	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+Na"	64.015768
"1720203"	360.274393	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4+HCOOH"	64.039293
"1186650"	121.734251333333	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+3Na"	68.967654
"1653263"	365.229788	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+HCOOH"	68.994688
"161216"	669.38924	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2K-H"	76.91904
"598953"	965.62434	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2K-H"	76.91904
"1091850"	373.15414	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K-H"	76.91904
"144292"	335.198258	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2K"	77.926316
"584945"	483.315808	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2K"	77.926316
"1070551"	187.080708	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K"	77.926316
"1112147"	375.168692	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K+H"	78.933592
"1344521"	375.256307	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+DMSO+H"	79.021207
"1014145"	379.295476	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+H"	83.060376
"1530082"	380.289108	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+Na+H"	84.054008
"1000907"	190.151376	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+2H"	84.067652
"1587756"	381.203728	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K+HCOOH"	84.968628
"1414428"	411.235238	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+CF3COOH"	115.000138
"1148082"	210.664651	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+3ACN+2H"	125.094202
"1700916"	428.261785	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4+CF3COOH"	132.026685
"1642032"	433.21718	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+CF3COOH"	136.98208
"1573310"	449.19112	"C14825"	"9(10)-EpOME;(9R10S)-(12Z)-910-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K+CF3COOH"	152.95602
"801730"	296.2351	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M"	0
"987419"	277.21671	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H2O-H"	-19.01839
"77121"	196.482790666667	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-3H"	-3.021828
"514861"	295.227824	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-3H"	-3.021828
"889385"	97.7377573333333	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-3H"	-3.021828
"7959"	295.227824	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H"	-2.014552
"450800"	443.345374	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H"	-2.014552
"826415"	147.110274	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H"	-2.014552
"91875"	591.462924	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-H"	-1.007276
"532165"	887.698024	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-H"	-1.007276
"910210"	295.227824	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H"	-1.007276
"59239"	608.489471	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+NH4"	16.019271
"497705"	904.724571	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+NH4"	16.019271
"876601"	312.254371	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+NH4"	16.019271
"45230"	613.444866	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+Na"	20.974666
"478595"	909.679966	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+Na"	20.974666
"854208"	317.209766	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+Na"	20.974666
"1627022"	317.209766	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na-2H"	20.974666
"95895"	313.216163	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-H+Cl"	33.962126
"538734"	461.333713	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-H+Cl"	33.962126
"930062"	165.098613	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+Cl"	33.962126
"268134"	627.439602	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Cl"	34.969402
"660794"	923.674702	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Cl"	34.969402
"1273441"	331.204502	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl"	34.969402
"22571"	629.418806	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M-2H+K"	36.948606
"459945"	925.653906	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M-2H+K"	36.948606
"835193"	333.183706	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-2H+K"	36.948606
"1560504"	333.183706	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K-2H"	36.948606
"949116"	341.233294	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+HCOOH"	44.998194
"365145"	637.468401	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+HCOOH-H"	44.998201
"349027"	651.484051	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Hac-H"	59.013851
"1496402"	355.248951	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Hac-H"	59.013851
"967226"	363.215251	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+NaCOOH"	66.980151
"112243"	331.204502	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Cl"	69.938804
"551316"	479.322052	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Cl"	69.938804
"1022666"	183.086952	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Cl"	69.938804
"1243338"	375.153985	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Br"	78.918885
"1304524"	377.209972	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+HCOOH"	80.974872
"1320732"	399.191929	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+NaCOOH"	102.956829
"911538"	409.220686	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M-H+CF3COOH"	112.985586
"1295431"	445.197364	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Cl+CF3COOH"	148.962264
"1371040"	261.222424	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H-2H2O"	-35.012676
"1384527"	279.2324	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H-H2O"	-17.0027
"291873"	593.477476	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H"	1.007276
"682109"	889.712576	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H"	1.007276
"1353351"	297.242376	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H"	1.007276
"126237"	297.242376	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2H"	2.014552
"565808"	445.359926	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2H"	2.014552
"1037301"	149.124826	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2H"	2.014552
"204714"	198.497342666667	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+3H"	3.021828
"644602"	297.242376	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+3H"	3.021828
"1163942"	99.7523093333333	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+3H"	3.021828
"424799"	610.504023	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+NH4"	18.033823
"786275"	906.739123	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+NH4"	18.033823
"1682000"	314.268923	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4"	18.033823
"330394"	305.7556495	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+NH4"	19.041099
"733158"	453.8731995	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+NH4"	19.041099
"1492333"	157.6380995	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+NH4"	19.041099
"406032"	615.459418	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Na"	22.989218
"764474"	911.694518	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Na"	22.989218
"1612573"	319.224318	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na"	22.989218
"321518"	308.233347	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+Na"	23.996494
"716126"	456.350897	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+Na"	23.996494
"1466666"	160.115797	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+Na"	23.996494
"1057724"	107.079623333333	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2H+Na"	25.00377
"1269246"	329.268586	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+CH3OH+H"	33.033486
"390008"	631.433358	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+K"	38.963158
"748816"	927.668458	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+K"	38.963158
"1550867"	335.198258	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K"	38.963158
"311325"	316.220317	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+H+K"	39.970434
"701559"	464.337867	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+H+K"	39.970434
"1445675"	168.102767	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+K"	39.970434
"241795"	634.504026	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+H"	42.033826
"1215598"	338.268926	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+H"	42.033826
"1200576"	169.638101	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+2H"	43.041102
"193445"	637.44136	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Na-H"	44.97116
"634098"	933.67646	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Na-H"	44.97116
"1137604"	341.20626	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Na-H"	44.97116
"183079"	319.224318	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2Na"	45.978436
"619360"	467.341868	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2Na"	45.978436
"1126148"	171.106768	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2Na"	45.978436
"1405297"	114.406937333333	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+2Na"	46.985712
"1436318"	343.247846	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+HCOOH"	47.012746
"221639"	324.25734	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+3H2O+2H"	56.04448
"1514076"	357.29989	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+H"	61.06479
"410481"	327.211288	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+Na+K"	61.952376
"772570"	475.328838	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+Na+K"	61.952376
"1669263"	179.093738	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+K"	61.952376
"252988"	656.485968	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+ACN+Na"	64.015768
"1226018"	360.250868	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+ACN+Na"	64.015768
"1713736"	360.274393	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4+HCOOH"	64.039293
"1190041"	121.734251333333	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+3Na"	68.967654
"1661028"	365.229788	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+HCOOH"	68.994688
"164608"	669.38924	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2K-H"	76.91904
"601980"	965.62434	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2K-H"	76.91904
"1089773"	373.15414	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K-H"	76.91904
"147683"	335.198258	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"2M+2K"	77.926316
"590523"	483.315808	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"3M+2K"	77.926316
"1071025"	187.080708	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K"	77.926316
"1111529"	375.168692	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2K+H"	78.933592
"1345724"	375.256307	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+DMSO+H"	79.021207
"1012066"	379.295476	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+H"	83.060376
"1530192"	380.289108	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+IsoProp+Na+H"	84.054008
"997738"	190.151376	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+2ACN+2H"	84.067652
"1588233"	381.203728	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K+HCOOH"	84.968628
"1415716"	411.235238	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+H+CF3COOH"	115.000138
"1154754"	210.664651	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+3ACN+2H"	125.094202
"1707586"	428.261785	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+NH4+CF3COOH"	132.026685
"1642142"	433.21718	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+Na+CF3COOH"	136.98208
"1573420"	449.19112	"C14826"	"12(13)-EpOME;(12R13S)-(9Z)-1213-Epoxyoctadecenoic acid"	"C18H32O3"	"296.2351"	"M+K+CF3COOH"	152.95602
"801963"	312.2301	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M"	0
"980601"	293.21171	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"64471"	207.146124	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"514970"	311.222824	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"885117"	103.069424	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"6972"	311.222824	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"445441"	467.337874	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"821057"	155.107774	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"81413"	623.452924	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"518901"	935.683024	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"901692"	311.222824	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"58254"	640.479471	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"494533"	952.709571	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"876347"	328.249371	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"36955"	645.434866	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"472748"	957.664966	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"852132"	333.204766	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1622758"	333.204766	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"95394"	329.211163	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"536049"	485.326213	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"928103"	173.096113	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"267997"	659.429602	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"660781"	971.659702	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1274157"	347.199502	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"24869"	661.408806	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"463336"	973.638906	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"837491"	349.178706	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1560250"	349.178706	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"948860"	357.228294	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"368535"	669.458401	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"348408"	683.474051	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1497971"	371.243951	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"967700"	379.210251	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"116607"	347.199502	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"553613"	503.314552	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1023261"	191.084452	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1243448"	391.148985	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1304922"	393.204972	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1321084"	415.186929	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"911611"	425.215686	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1290437"	461.192364	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1368596"	277.217424	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1384272"	295.2274	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"288704"	625.467476	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"678940"	937.697576	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1353461"	313.237376	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"126094"	313.237376	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"566752"	469.352426	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1037247"	157.122326	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"205028"	209.160676	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"645319"	313.237376	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1164173"	105.083976	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"424663"	642.494023	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"786993"	954.724123	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1681862"	330.263923	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"330179"	321.7506495	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"733268"	477.8656995	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1491466"	165.6355995	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"406499"	647.449418	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"765677"	959.679518	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1613778"	335.219318	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"325998"	324.228347	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"716234"	480.343397	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1468963"	168.113297	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1061115"	112.41129	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1271542"	345.263586	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"387930"	663.423358	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"747833"	975.653458	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1550977"	351.193258	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"312529"	332.215317	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"703857"	488.330367	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1447839"	176.100267	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"245185"	666.494026	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1217895"	354.263926	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1200686"	177.635601	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"193558"	669.43136	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"635302"	981.66146	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1139900"	357.20126	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"181003"	335.219318	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"620563"	491.334368	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1127351"	179.104268	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1404314"	119.738604	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1435335"	359.242846	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"221260"	340.25234	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1514186"	373.29489	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"411319"	343.206288	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"771462"	499.321338	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1668279"	187.091238	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"253704"	688.475968	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1226414"	376.245868	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1713845"	376.269393	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1189057"	127.065918	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1662962"	381.224788	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"161438"	701.37924	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"599902"	1013.60934	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1085264"	389.14914	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"149980"	351.193258	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"586260"	507.308308	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1076239"	195.078208	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1110544"	391.163692	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1346928"	391.251307	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1018742"	395.290476	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1533585"	396.284108	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"1001128"	198.148876	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1587731"	397.198728	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1414854"	427.230238	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1150486"	218.662151	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1707696"	444.256785	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1642252"	449.21218	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1574622"	465.18612	"C14827"	"9(S)-HPODE;9(S)-HPOD;(10E12Z)-(9S)-9-Hydroperoxyoctadeca-1012-dienoic acid;(9S10E12Z)-9-Hydroperoxy-1012-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"803166"	314.2457	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M"	0
"980711"	295.22731	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-H2O-H"	-19.01839
"65674"	208.489857333333	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M-3H"	-3.021828
"513985"	313.238424	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M-3H"	-3.021828
"890695"	103.741290666667	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-3H"	-3.021828
"5989"	313.238424	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H"	-2.014552
"448833"	470.361274	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H"	-2.014552
"822260"	156.115574	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-2H"	-2.014552
"83345"	627.484124	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M-H"	-1.007276
"520718"	941.729824	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M-H"	-1.007276
"901802"	313.238424	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-H"	-1.007276
"59457"	644.510671	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H+NH4"	16.019271
"494643"	958.756371	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H+NH4"	16.019271
"875727"	330.264971	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-2H+NH4"	16.019271
"39252"	649.466066	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H+Na"	20.974666
"472373"	963.711766	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H+Na"	20.974666
"849199"	335.220366	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-2H+Na"	20.974666
"1620681"	335.220366	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Na-2H"	20.974666
"95022"	331.226763	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M-H+Cl"	33.962126
"535310"	488.349613	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M-H+Cl"	33.962126
"927848"	174.103913	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-H+Cl"	33.962126
"267985"	663.460802	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+Cl"	34.969402
"660284"	977.706502	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+Cl"	34.969402
"1274267"	349.215102	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl"	34.969402
"18779"	665.440006	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H+K"	36.948606
"461257"	979.685706	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H+K"	36.948606
"833588"	351.194306	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-2H+K"	36.948606
"1560360"	351.194306	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+K-2H"	36.948606
"948242"	359.243894	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-H+HCOOH"	44.998194
"362447"	673.489601	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+HCOOH-H"	44.998201
"348882"	687.505251	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+Hac-H"	59.013851
"1498083"	373.259551	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Hac-H"	59.013851
"965622"	381.225851	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-H+NaCOOH"	66.980151
"111976"	349.215102	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+2Cl"	69.938804
"552265"	506.337952	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+2Cl"	69.938804
"1025438"	192.092252	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2Cl"	69.938804
"1241856"	393.164585	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Br"	78.918885
"1304219"	395.220572	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl+HCOOH"	80.974872
"1320950"	417.202529	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl+NaCOOH"	102.956829
"913101"	427.231286	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M-H+CF3COOH"	112.985586
"1291276"	463.207964	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl+CF3COOH"	148.962264
"1369434"	279.233024	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H-2H2O"	-35.012676
"1383771"	297.243	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H-H2O"	-17.0027
"291001"	629.498676	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+H"	1.007276
"679050"	943.744376	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+H"	1.007276
"1353206"	315.252976	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H"	1.007276
"125748"	315.252976	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+2H"	2.014552
"567107"	472.375826	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+2H"	2.014552
"1037098"	158.130126	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2H"	2.014552
"204293"	210.504409333333	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+3H"	3.021828
"644375"	315.252976	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+3H"	3.021828
"1163311"	105.755842666667	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+3H"	3.021828
"424447"	646.525223	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+NH4"	18.033823
"785807"	960.770923	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+NH4"	18.033823
"1681489"	332.279523	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+NH4"	18.033823
"330165"	323.7662495	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+H+NH4"	19.041099
"735564"	480.8890995	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+H+NH4"	19.041099
"1492517"	166.6433995	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H+NH4"	19.041099
"407702"	651.480618	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+Na"	22.989218
"763602"	965.726318	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+Na"	22.989218
"1612794"	337.234918	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Na"	22.989218
"326108"	326.243947	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+H+Na"	23.996494
"716344"	483.366797	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+H+Na"	23.996494
"1472354"	169.121097	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H+Na"	23.996494
"1063413"	113.083156666667	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2H+Na"	25.00377
"1268372"	347.279186	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+CH3OH+H"	33.033486
"382573"	667.454558	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+K"	38.963158
"746850"	981.700258	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+K"	38.963158
"1548901"	353.208858	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+K"	38.963158
"312275"	334.230917	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+H+K"	39.970434
"705062"	491.353767	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+H+K"	39.970434
"1456696"	177.108067	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H+K"	39.970434
"245295"	670.525226	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+ACN+H"	42.033826
"1216911"	356.279526	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+ACN+H"	42.033826
"1201889"	178.643401	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+ACN+2H"	43.041102
"194759"	673.46256	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+2Na-H"	44.97116
"635412"	987.70826	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+2Na-H"	44.97116
"1140010"	359.21686	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2Na-H"	44.97116
"184393"	337.234918	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+2Na"	45.978436
"619580"	494.357768	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+2Na"	45.978436
"1125274"	180.112068	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2Na"	45.978436
"1404788"	120.410470666667	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H+2Na"	46.985712
"1439819"	361.258446	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H+HCOOH"	47.012746
"229514"	342.26794	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+3H2O+2H"	56.04448
"1517577"	375.31049	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+IsoProp+H"	61.06479
"412889"	345.221888	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+Na+K"	61.952376
"772062"	502.344738	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+Na+K"	61.952376
"1668757"	188.099038	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Na+K"	61.952376
"256006"	692.507168	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+ACN+Na"	64.015768
"1226888"	378.261468	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+ACN+Na"	64.015768
"1715413"	378.284993	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+NH4+HCOOH"	64.039293
"1188073"	127.737784666667	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+3Na"	68.967654
"1662342"	383.240388	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Na+HCOOH"	68.994688
"161548"	705.41044	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+2K-H"	76.91904
"600013"	1019.65614	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+2K-H"	76.91904
"1086710"	391.16474	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2K-H"	76.91904
"147903"	353.208858	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"2M+2K"	77.926316
"588557"	510.331708	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"3M+2K"	77.926316
"1073069"	196.086008	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2K"	77.926316
"1108467"	393.179292	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2K+H"	78.933592
"1343757"	393.266907	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+DMSO+H"	79.021207
"1015569"	397.306076	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2ACN+H"	83.060376
"1534788"	398.299708	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+IsoProp+Na+H"	84.054008
"1003060"	199.156676	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+2ACN+2H"	84.067652
"1587475"	399.214328	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+K+HCOOH"	84.968628
"1414716"	429.245838	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+H+CF3COOH"	115.000138
"1149502"	219.669951	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+3ACN+2H"	125.094202
"1707806"	446.272385	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+NH4+CF3COOH"	132.026685
"1642362"	451.22778	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+Na+CF3COOH"	136.98208
"1572545"	467.20172	"C14828"	"910-DHOME;910-DHOA;(12Z)-910-Dihydroxyoctadec-12-enoic acid"	"C18H34O4"	"314.2457"	"M+K+CF3COOH"	152.95602
"801417"	314.2457	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M"	0
"981914"	295.22731	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-H2O-H"	-19.01839
"64691"	208.489857333333	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M-3H"	-3.021828
"504247"	313.238424	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M-3H"	-3.021828
"885338"	103.741290666667	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-3H"	-3.021828
"6099"	313.238424	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H"	-2.014552
"442747"	470.361274	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H"	-2.014552
"817428"	156.115574	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-2H"	-2.014552
"79446"	627.484124	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M-H"	-1.007276
"519248"	941.729824	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M-H"	-1.007276
"901912"	313.238424	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-H"	-1.007276
"59203"	644.510671	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H+NH4"	16.019271
"494753"	958.756371	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H+NH4"	16.019271
"874744"	330.264971	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-2H+NH4"	16.019271
"39362"	649.466066	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H+Na"	20.974666
"475643"	963.711766	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H+Na"	20.974666
"849798"	335.220366	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-2H+Na"	20.974666
"1618601"	335.220366	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Na-2H"	20.974666
"96588"	331.226763	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M-H+Cl"	33.962126
"535054"	488.349613	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M-H+Cl"	33.962126
"927345"	174.103913	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-H+Cl"	33.962126
"267282"	663.460802	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+Cl"	34.969402
"660513"	977.706502	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+Cl"	34.969402
"1273892"	349.215102	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl"	34.969402
"18524"	665.440006	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M-2H+K"	36.948606
"456058"	979.685706	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M-2H+K"	36.948606
"832935"	351.194306	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-2H+K"	36.948606
"1559377"	351.194306	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+K-2H"	36.948606
"947259"	359.243894	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-H+HCOOH"	44.998194
"363285"	673.489601	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+HCOOH-H"	44.998201
"347899"	687.505251	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+Hac-H"	59.013851
"1496007"	373.259551	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Hac-H"	59.013851
"963546"	381.225851	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-H+NaCOOH"	66.980151
"111721"	349.215102	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+2Cl"	69.938804
"551646"	506.337952	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+2Cl"	69.938804
"1024090"	192.092252	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2Cl"	69.938804
"1241641"	393.164585	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Br"	78.918885
"1304332"	395.220572	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl+HCOOH"	80.974872
"1320452"	417.202529	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl+NaCOOH"	102.956829
"911874"	427.231286	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M-H+CF3COOH"	112.985586
"1290293"	463.207964	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Cl+CF3COOH"	148.962264
"1369543"	279.233024	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H-2H2O"	-35.012676
"1383761"	297.243	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H-H2O"	-17.0027
"288924"	629.498676	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+H"	1.007276
"679160"	943.744376	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+H"	1.007276
"1352588"	315.252976	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H"	1.007276
"125957"	315.252976	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+2H"	2.014552
"566490"	472.375826	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+2H"	2.014552
"1037347"	158.130126	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2H"	2.014552
"205004"	210.504409333333	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+3H"	3.021828
"644570"	315.252976	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+3H"	3.021828
"1163425"	105.755842666667	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+3H"	3.021828
"424883"	646.525223	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+NH4"	18.033823
"785796"	960.770923	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+NH4"	18.033823
"1681599"	332.279523	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+NH4"	18.033823
"330323"	323.7662495	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+H+NH4"	19.041099
"734581"	480.8890995	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+H+NH4"	19.041099
"1487306"	166.6433995	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H+NH4"	19.041099
"397237"	651.480618	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+Na"	22.989218
"763711"	965.726318	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+Na"	22.989218
"1612904"	337.234918	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Na"	22.989218
"325125"	326.243947	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+H+Na"	23.996494
"716452"	483.366797	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+H+Na"	23.996494
"1471371"	169.121097	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H+Na"	23.996494
"1063523"	113.083156666667	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2H+Na"	25.00377
"1268482"	347.279186	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+CH3OH+H"	33.033486
"383776"	667.454558	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+K"	38.963158
"744770"	981.700258	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+K"	38.963158
"1547918"	353.208858	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+K"	38.963158
"312385"	334.230917	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+H+K"	39.970434
"705536"	491.353767	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+H+K"	39.970434
"1457534"	177.108067	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H+K"	39.970434
"244312"	670.525226	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+ACN+H"	42.033826
"1215927"	356.279526	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+ACN+H"	42.033826
"1201999"	178.643401	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+ACN+2H"	43.041102
"193776"	673.46256	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+2Na-H"	44.97116
"635522"	987.70826	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+2Na-H"	44.97116
"1140120"	359.21686	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2Na-H"	44.97116
"183411"	337.234918	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+2Na"	45.978436
"622971"	494.357768	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+2Na"	45.978436
"1127570"	180.112068	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2Na"	45.978436
"1411824"	120.410470666667	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H+2Na"	46.985712
"1438837"	361.258446	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H+HCOOH"	47.012746
"229625"	342.26794	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+3H2O+2H"	56.04448
"1510761"	375.31049	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+IsoProp+H"	61.06479
"408989"	345.221888	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+Na+K"	61.952376
"773631"	502.344738	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+Na+K"	61.952376
"1668138"	188.099038	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Na+K"	61.952376
"253197"	692.507168	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+ACN+Na"	64.015768
"1226634"	378.261468	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+ACN+Na"	64.015768
"1713701"	378.284993	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+NH4+HCOOH"	64.039293
"1181618"	127.737784666667	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+3Na"	68.967654
"1662451"	383.240388	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Na+HCOOH"	68.994688
"162750"	705.41044	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+2K-H"	76.91904
"604496"	1019.65614	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+2K-H"	76.91904
"1086819"	391.16474	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2K-H"	76.91904
"145460"	353.208858	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"2M+2K"	77.926316
"583316"	510.331708	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"3M+2K"	77.926316
"1074271"	196.086008	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2K"	77.926316
"1107482"	393.179292	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2K+H"	78.933592
"1346054"	393.266907	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+DMSO+H"	79.021207
"1013491"	397.306076	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2ACN+H"	83.060376
"1532710"	398.299708	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+IsoProp+Na+H"	84.054008
"1003170"	199.156676	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+2ACN+2H"	84.067652
"1587707"	399.214328	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+K+HCOOH"	84.968628
"1414579"	429.245838	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+H+CF3COOH"	115.000138
"1147303"	219.669951	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+3ACN+2H"	125.094202
"1707916"	446.272385	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+NH4+CF3COOH"	132.026685
"1642472"	451.22778	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+Na+CF3COOH"	136.98208
"1574841"	467.20172	"C14829"	"1213-DHOME;1213-DHOA;(9Z)-1213-Dihydroxyoctadec-9-enoic acid"	"C18H34O4"	"314.2457"	"M+K+CF3COOH"	152.95602
"802050"	587.0666	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M"	0
"980931"	568.04821	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-H2O-H"	-19.01839
"63707"	390.370457333333	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M-3H"	-3.021828
"504356"	586.059324	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M-3H"	-3.021828
"883262"	194.681590666667	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-3H"	-3.021828
"5116"	586.059324	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M-2H"	-2.014552
"441763"	879.592624	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M-2H"	-2.014552
"817138"	292.526024	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-2H"	-2.014552
"78704"	1173.125924	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M-H"	-1.007276
"518532"	1760.192524	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M-H"	-1.007276
"902022"	586.059324	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-H"	-1.007276
"57491"	1190.152471	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+NH4"	16.019271
"494863"	1777.219071	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+NH4"	16.019271
"872668"	603.085871	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-2H+NH4"	16.019271
"39472"	1195.107866	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+Na"	20.974666
"472473"	1782.174466	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+Na"	20.974666
"848649"	608.041266	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-2H+Na"	20.974666
"1618664"	608.041266	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Na-2H"	20.974666
"94996"	604.047663	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M-H+Cl"	33.962126
"534555"	897.580963	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M-H+Cl"	33.962126
"927209"	310.514363	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-H+Cl"	33.962126
"267315"	1209.102602	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+Cl"	34.969402
"660053"	1796.169202	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+Cl"	34.969402
"1272905"	622.036002	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Cl"	34.969402
"18634"	1211.081806	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M-2H+K"	36.948606
"455957"	1798.148406	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M-2H+K"	36.948606
"832807"	624.015206	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-2H+K"	36.948606
"1555952"	624.015206	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+K-2H"	36.948606
"944086"	632.064794	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-H+HCOOH"	44.998194
"361662"	1219.131401	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+HCOOH-H"	44.998201
"345895"	1233.147051	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+Hac-H"	59.013851
"1492950"	646.080451	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Hac-H"	59.013851
"961102"	654.046751	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-H+NaCOOH"	66.980151
"111583"	622.036002	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+2Cl"	69.938804
"549980"	915.569302	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+2Cl"	69.938804
"1021764"	328.502702	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2Cl"	69.938804
"1242114"	665.985485	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Br"	78.918885
"1304205"	668.041472	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+HCOOH"	80.974872
"1320150"	690.023429	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+NaCOOH"	102.956829
"911607"	700.052186	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M-H+CF3COOH"	112.985586
"1290037"	736.028864	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Cl+CF3COOH"	148.962264
"1368314"	552.053924	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H-2H2O"	-35.012676
"1383871"	570.0639	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H-H2O"	-17.0027
"290127"	1175.140476	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+H"	1.007276
"679270"	1762.207076	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+H"	1.007276
"1353426"	588.073876	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H"	1.007276
"125984"	588.073876	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+2H"	2.014552
"567330"	881.607176	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+2H"	2.014552
"1037861"	294.540576	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2H"	2.014552
"205475"	392.385009333333	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+3H"	3.021828
"645404"	588.073876	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+3H"	3.021828
"1164989"	196.696142666667	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+3H"	3.021828
"425232"	1192.167023	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+NH4"	18.033823
"786585"	1779.233623	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+NH4"	18.033823
"1682315"	605.100423	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+NH4"	18.033823
"330710"	596.5871495	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+H+NH4"	19.041099
"724846"	890.1204495	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+H+NH4"	19.041099
"1481948"	303.0538495	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H+NH4"	19.041099
"397347"	1197.122418	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+Na"	22.989218
"763820"	1784.189018	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+Na"	22.989218
"1613011"	610.055818	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Na"	22.989218
"319768"	599.064847	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+H+Na"	23.996494
"712188"	892.598147	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+H+Na"	23.996494
"1466012"	305.531547	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H+Na"	23.996494
"1058162"	204.023456666667	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2H+Na"	25.00377
"1268592"	620.100086	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+CH3OH+H"	33.033486
"382793"	1213.096358	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+K"	38.963158
"745973"	1800.162958	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+K"	38.963158
"1545838"	626.029758	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+K"	38.963158
"306297"	607.051817	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+H+K"	39.970434
"698719"	900.585117	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+H+K"	39.970434
"1451447"	313.518517	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H+K"	39.970434
"242235"	1216.167026	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+ACN+H"	42.033826
"1211175"	629.100426	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+H"	42.033826
"1194572"	315.053851	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+2H"	43.041102
"188858"	1219.10436	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+2Na-H"	44.97116
"630163"	1806.17096	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+2Na-H"	44.97116
"1136949"	632.03776	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2Na-H"	44.97116
"176595"	610.055818	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+2Na"	45.978436
"616885"	903.589118	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+2Na"	45.978436
"1123307"	316.522518	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2Na"	45.978436
"1399661"	211.350770666667	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H+2Na"	46.985712
"1431289"	634.079346	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H+HCOOH"	47.012746
"221106"	615.08884	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+3H2O+2H"	56.04448
"1508798"	648.13139	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+IsoProp+H"	61.06479
"408932"	618.042788	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+Na+K"	61.952376
"771910"	911.576088	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+Na+K"	61.952376
"1666541"	324.509488	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Na+K"	61.952376
"252695"	1238.148968	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+ACN+Na"	64.015768
"1226982"	651.082368	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+ACN+Na"	64.015768
"1713811"	651.105893	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+NH4+HCOOH"	64.039293
"1179534"	218.678084666667	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+3Na"	68.967654
"1660374"	656.061288	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Na+HCOOH"	68.994688
"159215"	1251.05224	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+2K-H"	76.91904
"602419"	1838.11884	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+2K-H"	76.91904
"1085837"	663.98564	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2K-H"	76.91904
"145206"	626.029758	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"2M+2K"	77.926316
"582819"	919.563058	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"3M+2K"	77.926316
"1073286"	332.496458	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2K"	77.926316
"1108685"	666.000192	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2K+H"	78.933592
"1343977"	666.087807	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+DMSO+H"	79.021207
"1013601"	670.126976	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2ACN+H"	83.060376
"1532820"	671.120608	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+IsoProp+Na+H"	84.054008
"1000363"	335.567126	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+2ACN+2H"	84.067652
"1587698"	672.035228	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+K+HCOOH"	84.968628
"1414337"	702.066738	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+H+CF3COOH"	115.000138
"1147169"	356.080401	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+3ACN+2H"	125.094202
"1708026"	719.093285	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+NH4+CF3COOH"	132.026685
"1642582"	724.04868	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+Na+CF3COOH"	136.98208
"1573858"	740.02262	"C14830"	"GDP-4-keto-6-L-deoxygalactose"	"C16H23N5O15P2"	"587.0666"	"M+K+CF3COOH"	152.95602
"816014"	312.2301	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M"	0
"981041"	293.21171	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"64910"	207.146124	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"509938"	311.222824	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"884465"	103.069424	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"6319"	311.222824	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"441509"	467.337874	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"817357"	155.107774	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"78653"	623.452924	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"526519"	935.683024	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"905413"	311.222824	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"56508"	640.479471	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"492788"	952.709571	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"873507"	328.249371	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"38490"	645.434866	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"473677"	957.664966	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"849531"	333.204766	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1622103"	333.204766	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"94453"	329.211163	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"534662"	485.326213	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"927327"	173.096113	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"267299"	659.429602	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"660368"	971.659702	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1273499"	347.199502	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"18379"	661.408806	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"456396"	973.638906	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"833182"	349.178706	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1555756"	349.178706	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"942933"	357.228294	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"363504"	669.458401	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"347752"	683.474051	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1494032"	371.243951	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"959750"	379.210251	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"111573"	347.199502	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"550644"	503.314552	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1021997"	191.084452	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1241575"	391.148985	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1304233"	393.204972	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1320061"	415.186929	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"911423"	425.215686	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1290147"	461.192364	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1369764"	277.217424	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1384711"	295.2274	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"290237"	625.467476	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"679379"	937.697576	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1354628"	313.237376	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"127151"	313.237376	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"567076"	469.352426	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1037130"	157.122326	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"204616"	209.160676	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"644788"	313.237376	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1163643"	105.083976	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"424850"	642.494023	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"786451"	954.724123	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1681569"	330.263923	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"330108"	321.7506495	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"727141"	477.8656995	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1482058"	165.6355995	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"397457"	647.449418	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"763930"	959.679518	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1609841"	335.219318	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"317690"	324.228347	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"709743"	480.343397	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1468308"	168.113297	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1059365"	112.41129	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1265422"	345.263586	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"382903"	663.423358	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"746083"	975.653458	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1547041"	351.193258	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"304219"	332.215317	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"697731"	488.330367	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1450463"	176.100267	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"236268"	666.494026	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1209985"	354.263926	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1195048"	177.635601	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"188920"	669.43136	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"629301"	981.66146	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1136329"	357.20126	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"178526"	335.219318	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"615536"	491.334368	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1122322"	179.104268	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1400379"	119.738604	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1432857"	359.242846	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"220726"	340.25234	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1508745"	373.29489	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"409123"	343.206288	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"771292"	499.321338	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1666203"	187.091238	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"251553"	688.475968	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1225713"	376.245868	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1713922"	376.269393	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1180739"	127.065918	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1657204"	381.224788	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"159323"	701.37924	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"601798"	1013.60934	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1091415"	389.14914	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"144221"	351.193258	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"584512"	507.308308	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1070966"	195.078208	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1108796"	391.163692	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1341901"	391.251307	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1011525"	395.290476	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1530745"	396.284108	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"997193"	198.148876	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1587234"	397.198728	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1414276"	427.230238	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1147156"	218.662151	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1697037"	444.256785	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1642692"	449.21218	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1572875"	465.18612	"C14831"	"8(R)-HPODE;(9Z12Z)-(8R)-8-Hydroperoxyoctadeca-912-dienoic acid;(8R9Z12Z)-8-Hydroperoxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"807620"	312.2301	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M"	0
"987351"	293.21171	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"69396"	207.146124	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"508957"	311.222824	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"885670"	103.069424	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"6433"	311.222824	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"445994"	467.337874	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"825985"	155.107774	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"84882"	623.452924	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"525535"	935.683024	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"904430"	311.222824	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"55525"	640.479471	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"493992"	952.709571	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"873983"	328.249371	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"39695"	645.434866	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"480348"	957.664966	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"851588"	333.204766	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1620027"	333.204766	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"100930"	329.211163	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"535017"	485.326213	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"931090"	173.096113	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"268918"	659.429602	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"660726"	971.659702	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1275929"	347.199502	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"22142"	661.408806	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"458781"	973.638906	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"833539"	349.178706	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1556059"	349.178706	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"943939"	357.228294	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"362885"	669.458401	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"346402"	683.474051	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1493086"	371.243951	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"959499"	379.210251	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"110958"	347.199502	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"550273"	503.314552	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1022234"	191.084452	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1242905"	391.148985	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1304748"	393.204972	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1321028"	415.186929	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"913183"	425.215686	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1289164"	461.192364	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1381426"	277.217424	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1398161"	295.2274	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"289256"	625.467476	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"679851"	937.697576	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1355835"	313.237376	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"130912"	313.237376	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"571563"	469.352426	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1039269"	157.122326	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"205223"	209.160676	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"644252"	313.237376	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1162767"	105.083976	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"427403"	642.494023	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"790218"	954.724123	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1686553"	330.263923	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"345045"	321.7506495	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"738281"	477.8656995	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1492339"	165.6355995	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"405591"	647.449418	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"769831"	959.679518	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1604608"	335.219318	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"319991"	324.228347	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"711320"	480.343397	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1465139"	168.113297	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1064950"	112.41129	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1264439"	345.263586	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"387389"	663.423358	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"748386"	975.653458	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1544971"	351.193258	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"307614"	332.215317	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"701127"	488.330367	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1446197"	176.100267	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"237353"	666.494026	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1212615"	354.263926	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1198318"	177.635601	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"190461"	669.43136	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"631477"	981.66146	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1142639"	357.20126	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"183743"	335.219318	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"621844"	491.334368	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1124255"	179.104268	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1402310"	119.738604	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1434792"	359.242846	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"226675"	340.25234	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1515831"	373.29489	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"409314"	343.206288	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"771043"	499.321338	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1666395"	187.091238	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"251829"	688.475968	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1226362"	376.245868	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1719869"	376.269393	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1180482"	127.065918	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1656222"	381.224788	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"160165"	701.37924	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"601545"	1013.60934	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1087882"	389.14914	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"144331"	351.193258	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"585717"	507.308308	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1077884"	195.078208	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1104531"	391.163692	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1342012"	391.251307	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1011633"	395.290476	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1528665"	396.284108	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"996211"	198.148876	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1587550"	397.198728	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1415520"	427.230238	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1147384"	218.662151	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1698400"	444.256785	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1637335"	449.21218	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1573348"	465.18612	"C14832"	"1213-Epoxy-9-hydroxy-10-octadecenoate;12(R)13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;(10E)-(9S12R13S)-1213-Epoxy-9-hydroxyoctadec-10-enoic acid"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"816355"	330.2406	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M"	0
"984541"	311.22221	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-H2O-H"	-19.01839
"67320"	219.153124	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M-3H"	-3.021828
"511254"	329.233324	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M-3H"	-3.021828
"885780"	109.072924	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-3H"	-3.021828
"6542"	329.233324	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H"	-2.014552
"443184"	494.353624	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H"	-2.014552
"823909"	164.113024	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-2H"	-2.014552
"83899"	659.473924	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M-H"	-1.007276
"525644"	989.714524	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M-H"	-1.007276
"903446"	329.233324	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-H"	-1.007276
"60374"	676.500471	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H+NH4"	16.019271
"499206"	1006.741071	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H+NH4"	16.019271
"873001"	346.259871	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-2H+NH4"	16.019271
"39805"	681.455866	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H+Na"	20.974666
"479365"	1011.696466	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H+Na"	20.974666
"853885"	351.215266	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-2H+Na"	20.974666
"1619771"	351.215266	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Na-2H"	20.974666
"101040"	347.221663	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M-H+Cl"	33.962126
"535250"	512.341963	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M-H+Cl"	33.962126
"928648"	182.101363	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-H+Cl"	33.962126
"270851"	695.450602	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+Cl"	34.969402
"662543"	1025.691202	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+Cl"	34.969402
"1273973"	365.210002	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl"	34.969402
"22252"	697.429806	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H+K"	36.948606
"457799"	1027.670406	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H+K"	36.948606
"833529"	367.189206	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-2H+K"	36.948606
"1556532"	367.189206	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+K-2H"	36.948606
"944779"	375.238794	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-H+HCOOH"	44.998194
"361817"	705.479401	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+HCOOH-H"	44.998201
"346514"	719.495051	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+Hac-H"	59.013851
"1492990"	389.254451	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Hac-H"	59.013851
"958794"	397.220751	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-H+NaCOOH"	66.980151
"110703"	365.210002	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+2Cl"	69.938804
"550140"	530.330302	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+2Cl"	69.938804
"1021613"	200.089702	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2Cl"	69.938804
"1242406"	409.159485	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Br"	78.918885
"1304734"	411.215472	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl+HCOOH"	80.974872
"1321502"	433.197429	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl+NaCOOH"	102.956829
"911547"	443.226186	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M-H+CF3COOH"	112.985586
"1288856"	479.202864	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl+CF3COOH"	148.962264
"1373272"	295.227924	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H-2H2O"	-35.012676
"1383840"	313.2379	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H-H2O"	-17.0027
"292644"	661.488476	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+H"	1.007276
"677411"	991.729076	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+H"	1.007276
"1355946"	331.247876	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H"	1.007276
"126648"	331.247876	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+2H"	2.014552
"566691"	496.368176	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+2H"	2.014552
"1037189"	166.127576	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2H"	2.014552
"204391"	221.167676	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+3H"	3.021828
"644882"	331.247876	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+3H"	3.021828
"1163045"	111.087476	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+3H"	3.021828
"427146"	678.515023	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+NH4"	18.033823
"785780"	1008.755623	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+NH4"	18.033823
"1686663"	348.274423	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+NH4"	18.033823
"344062"	339.7611495	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+H+NH4"	19.041099
"737818"	504.8814495	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+H+NH4"	19.041099
"1489572"	174.6408495	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H+NH4"	19.041099
"403149"	683.470418	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+Na"	22.989218
"763048"	1013.711018	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+Na"	22.989218
"1605690"	353.229818	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Na"	22.989218
"319007"	342.238847	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+H+Na"	23.996494
"713616"	507.359147	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+H+Na"	23.996494
"1466342"	177.118547	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H+Na"	23.996494
"1065059"	118.41479	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2H+Na"	25.00377
"1263456"	363.274086	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+CH3OH+H"	33.033486
"387499"	699.444358	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+K"	38.963158
"748495"	1029.684958	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+K"	38.963158
"1546174"	369.203758	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+K"	38.963158
"307724"	350.225817	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+H+K"	39.970434
"703423"	515.346117	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+H+K"	39.970434
"1447037"	185.105517	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H+K"	39.970434
"237827"	702.515026	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+ACN+H"	42.033826
"1215277"	372.274426	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+ACN+H"	42.033826
"1198428"	186.640851	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+ACN+2H"	43.041102
"190935"	705.45236	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+2Na-H"	44.97116
"631587"	1035.69296	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+2Na-H"	44.97116
"1142749"	375.21176	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2Na-H"	44.97116
"184946"	353.229818	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+2Na"	45.978436
"623046"	518.350118	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+2Na"	45.978436
"1124729"	188.109518	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2Na"	45.978436
"1400234"	125.742104	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H+2Na"	46.985712
"1435997"	377.253346	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H+HCOOH"	47.012746
"226785"	358.26284	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+3H2O+2H"	56.04448
"1515941"	391.30539	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+IsoProp+H"	61.06479
"408589"	361.216788	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+Na+K"	61.952376
"770424"	526.337088	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+Na+K"	61.952376
"1665615"	196.096488	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Na+K"	61.952376
"251615"	724.496968	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+ACN+Na"	64.015768
"1226472"	394.256368	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+ACN+Na"	64.015768
"1718886"	394.279893	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+NH4+HCOOH"	64.039293
"1179864"	133.069418	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+3Na"	68.967654
"1660702"	399.235288	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Na+HCOOH"	68.994688
"161003"	737.40024	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+2K-H"	76.91904
"599103"	1067.64084	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+2K-H"	76.91904
"1087261"	407.15964	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2K-H"	76.91904
"143712"	369.203758	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"2M+2K"	77.926316
"584367"	534.324058	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"3M+2K"	77.926316
"1076900"	204.083458	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2K"	77.926316
"1102089"	409.174192	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2K+H"	78.933592
"1339935"	409.261807	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+DMSO+H"	79.021207
"1008584"	413.300976	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2ACN+H"	83.060376
"1528775"	414.294608	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+IsoProp+Na+H"	84.054008
"993040"	207.154126	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+2ACN+2H"	84.067652
"1587023"	415.209228	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+K+HCOOH"	84.968628
"1415631"	445.240738	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+H+CF3COOH"	115.000138
"1147056"	227.667401	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+3ACN+2H"	125.094202
"1698509"	462.267285	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+NH4+CF3COOH"	132.026685
"1637445"	467.22268	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+Na+CF3COOH"	136.98208
"1573459"	483.19662	"C14833"	"91213-TriHOME;9(S)12(S)13(S)-Trihydroxy-10(E)-octadecenoic acid;(10E)-(9S12S13S)-91213-Trihydroxyoctadec-10-enoic acid"	"C18H34O5"	"330.2406"	"M+K+CF3COOH"	152.95602
"815982"	312.2301	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M"	0
"984651"	293.21171	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"73990"	207.146124	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"513551"	311.222824	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"891357"	103.069424	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"6652"	311.222824	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"441837"	467.337874	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"824019"	155.107774	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"84010"	623.452924	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"525755"	935.683024	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"903557"	311.222824	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"59027"	640.479471	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"498588"	952.709571	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"875296"	328.249371	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"37728"	645.434866	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"479475"	957.664966	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"855089"	333.204766	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1619518"	333.204766	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"100057"	329.211163	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"534510"	485.326213	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"928394"	173.096113	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"270232"	659.429602	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"664111"	971.659702	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1275420"	347.199502	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"22361"	661.408806	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"456450"	973.638906	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"833636"	349.178706	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1557003"	349.178706	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"943794"	357.228294	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"361929"	669.458401	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"346384"	683.474051	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1492874"	371.243951	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"959234"	379.210251	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"111545"	347.199502	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"551470"	503.314552	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1022130"	191.084452	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1242033"	391.148985	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1304645"	393.204972	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1321247"	415.186929	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"912310"	425.215686	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1289743"	461.192364	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1373382"	277.217424	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1383582"	295.2274	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"292754"	625.467476	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"677155"	937.697576	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1352773"	313.237376	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"128943"	313.237376	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"566801"	469.352426	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1037663"	157.122326	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"204502"	209.160676	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"644346"	313.237376	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1163166"	105.083976	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"425070"	642.494023	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"786051"	954.724123	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1686773"	330.263923	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"344295"	321.7506495	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"737565"	477.8656995	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1489682"	165.6355995	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"403259"	647.449418	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"763158"	959.679518	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1604336"	335.219318	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"321301"	324.228347	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"713723"	480.343397	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1469732"	168.113297	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1058606"	112.41129	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1263563"	345.263586	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"384324"	663.423358	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"747510"	975.653458	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1549562"	351.193258	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"306737"	332.215317	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"698064"	488.330367	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1446417"	176.100267	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"237209"	666.494026	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1215387"	354.263926	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1200362"	177.635601	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"191045"	669.43136	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"636437"	981.66146	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1140672"	357.20126	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"181775"	335.219318	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"619875"	491.334368	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1120100"	179.104268	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1401437"	119.738604	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1438294"	359.242846	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"226895"	340.25234	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1510582"	373.29489	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"410634"	343.206288	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"770018"	499.321338	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1665853"	187.091238	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"251968"	688.475968	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1225690"	376.245868	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1717903"	376.269393	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1182162"	127.065918	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1657532"	381.224788	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"161113"	701.37924	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"598849"	1013.60934	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1084818"	389.14914	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"142852"	351.193258	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"582655"	507.308308	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1077010"	195.078208	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1101835"	391.163692	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1340044"	391.251307	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1008572"	395.290476	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1526699"	396.284108	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"995334"	198.148876	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1588017"	397.198728	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1416591"	427.230238	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1147242"	218.662151	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1697891"	444.256785	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1637555"	449.21218	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1575392"	465.18612	"C14834"	"910-Epoxy-13-hydroxy-11-octadecenoate;(11E)-910-Epoxyoctadecenoic acid"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"816211"	330.2406	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M"	0
"984761"	311.22221	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-H2O-H"	-19.01839
"74100"	219.153124	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M-3H"	-3.021828
"513661"	329.233324	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M-3H"	-3.021828
"891467"	109.072924	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-3H"	-3.021828
"6762"	329.233324	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H"	-2.014552
"444134"	494.353624	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H"	-2.014552
"823036"	164.113024	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-2H"	-2.014552
"83027"	659.473924	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M-H"	-1.007276
"525867"	989.714524	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M-H"	-1.007276
"905854"	329.233324	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-H"	-1.007276
"59137"	676.500471	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H+NH4"	16.019271
"498699"	1006.741071	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H+NH4"	16.019271
"877108"	346.259871	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-2H+NH4"	16.019271
"41118"	681.455866	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H+Na"	20.974666
"480679"	1011.696466	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H+Na"	20.974666
"854104"	351.215266	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-2H+Na"	20.974666
"1621450"	351.215266	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Na-2H"	20.974666
"100167"	347.221663	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M-H+Cl"	33.962126
"534339"	512.341963	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M-H+Cl"	33.962126
"929596"	182.101363	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-H+Cl"	33.962126
"271802"	695.450602	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+Cl"	34.969402
"664222"	1025.691202	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+Cl"	34.969402
"1277717"	365.210002	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl"	34.969402
"20285"	697.429806	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M-2H+K"	36.948606
"457291"	1027.670406	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M-2H+K"	36.948606
"833627"	367.189206	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-2H+K"	36.948606
"1556507"	367.189206	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+K-2H"	36.948606
"943662"	375.238794	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-H+HCOOH"	44.998194
"362849"	705.479401	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+HCOOH-H"	44.998201
"346249"	719.495051	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+Hac-H"	59.013851
"1493376"	389.254451	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Hac-H"	59.013851
"959468"	397.220751	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-H+NaCOOH"	66.980151
"111293"	365.210002	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+2Cl"	69.938804
"550727"	530.330302	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+2Cl"	69.938804
"1021958"	200.089702	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2Cl"	69.938804
"1241658"	409.159485	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Br"	78.918885
"1304712"	411.215472	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl+HCOOH"	80.974872
"1320995"	433.197429	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl+NaCOOH"	102.956829
"911567"	443.226186	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M-H+CF3COOH"	112.985586
"1289490"	479.202864	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Cl+CF3COOH"	148.962264
"1373492"	295.227924	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H-2H2O"	-35.012676
"1383002"	313.2379	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H-H2O"	-17.0027
"292864"	661.488476	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+H"	1.007276
"676048"	991.729076	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+H"	1.007276
"1351420"	331.247876	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H"	1.007276
"127960"	331.247876	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+2H"	2.014552
"566789"	496.368176	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+2H"	2.014552
"1037652"	166.127576	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2H"	2.014552
"204384"	221.167676	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+3H"	3.021828
"644746"	331.247876	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+3H"	3.021828
"1162909"	111.087476	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+3H"	3.021828
"428462"	678.515023	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+NH4"	18.033823
"789455"	1008.755623	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+NH4"	18.033823
"1686883"	348.274423	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+NH4"	18.033823
"344159"	339.7611495	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+H+NH4"	19.041099
"736700"	504.8814495	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+H+NH4"	19.041099
"1490157"	174.6408495	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H+NH4"	19.041099
"404460"	683.470418	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+Na"	22.989218
"761081"	1013.711018	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+Na"	22.989218
"1605906"	353.229818	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Na"	22.989218
"317037"	342.238847	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+H+Na"	23.996494
"709458"	507.359147	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+H+Na"	23.996494
"1462309"	177.118547	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H+Na"	23.996494
"1056526"	118.41479	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2H+Na"	25.00377
"1261486"	363.274086	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+CH3OH+H"	33.033486
"382247"	699.444358	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+K"	38.963158
"745432"	1029.684958	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+K"	38.963158
"1547485"	369.203758	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+K"	38.963158
"305754"	350.225817	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+H+K"	39.970434
"697081"	515.346117	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+H+K"	39.970434
"1446893"	185.105517	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H+K"	39.970434
"239507"	702.515026	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+ACN+H"	42.033826
"1216591"	372.274426	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+ACN+H"	42.033826
"1201565"	186.640851	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+ACN+2H"	43.041102
"190426"	705.45236	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+2Na-H"	44.97116
"636183"	1035.69296	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+2Na-H"	44.97116
"1139688"	375.21176	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2Na-H"	44.97116
"181155"	353.229818	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+2Na"	45.978436
"619621"	518.350118	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+2Na"	45.978436
"1120210"	188.109518	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2Na"	45.978436
"1403733"	125.742104	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H+2Na"	46.985712
"1434394"	377.253346	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H+HCOOH"	47.012746
"227005"	358.26284	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+3H2O+2H"	56.04448
"1509962"	391.30539	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+IsoProp+H"	61.06479
"409772"	361.216788	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+Na+K"	61.952376
"770645"	526.337088	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+Na+K"	61.952376
"1665605"	196.096488	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Na+K"	61.952376
"252524"	724.496968	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+ACN+Na"	64.015768
"1226165"	394.256368	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+ACN+Na"	64.015768
"1716920"	394.279893	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+NH4+HCOOH"	64.039293
"1180084"	133.069418	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+3Na"	68.967654
"1655454"	399.235288	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Na+HCOOH"	68.994688
"157321"	737.40024	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+2K-H"	76.91904
"597133"	1067.64084	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+2K-H"	76.91904
"1086378"	407.15964	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2K-H"	76.91904
"141614"	369.203758	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"2M+2K"	77.926316
"582400"	534.324058	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"3M+2K"	77.926316
"1070560"	204.083458	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2K"	77.926316
"1100486"	409.174192	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2K+H"	78.933592
"1337238"	409.261807	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+DMSO+H"	79.021207
"1007589"	413.300976	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2ACN+H"	83.060376
"1525716"	414.294608	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+IsoProp+Na+H"	84.054008
"995444"	207.154126	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+2ACN+2H"	84.067652
"1587152"	415.209228	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+K+HCOOH"	84.968628
"1415608"	445.240738	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+H+CF3COOH"	115.000138
"1147472"	227.667401	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+3ACN+2H"	125.094202
"1698002"	462.267285	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+NH4+CF3COOH"	132.026685
"1637665"	467.22268	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+Na+CF3COOH"	136.98208
"1575502"	483.19662	"C14835"	"91013-TriHOME;91013-Trihydroxyoctadec-11-enoic acid;(11E)-91013-Trihydroxyoctadec-11-enoic acid"	"C18H34O5"	"330.2406"	"M+K+CF3COOH"	152.95602
"815713"	312.2301	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M"	0
"984871"	293.21171	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"73117"	207.146124	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"513771"	311.222824	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"891575"	103.069424	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"10149"	311.222824	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"448617"	467.337874	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"823140"	155.107774	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"87508"	623.452924	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"531445"	935.683024	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"904871"	311.222824	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"59246"	640.479471	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"499900"	952.709571	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"877701"	328.249371	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"45481"	645.434866	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"486503"	957.664966	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"854215"	333.204766	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1621562"	333.204766	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"100277"	329.211163	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"535462"	485.326213	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"928977"	173.096113	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"275192"	659.429602	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"665427"	971.659702	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1277099"	347.199502	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"20395"	661.408806	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"457401"	973.638906	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"833619"	349.178706	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1557592"	349.178706	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"943654"	357.228294	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"361869"	669.458401	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"347940"	683.474051	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1493130"	371.243951	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"960306"	379.210251	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"111402"	347.199502	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"556067"	503.314552	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1023044"	191.084452	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1247726"	391.148985	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1305434"	393.204972	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1324389"	415.186929	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"917635"	425.215686	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1293247"	461.192364	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1376882"	277.217424	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1384290"	295.2274	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"292974"	625.467476	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"678835"	937.697576	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1351410"	313.237376	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"130256"	313.237376	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"568722"	469.352426	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1037518"	157.122326	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"204279"	209.160676	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"644299"	313.237376	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1165296"	105.083976	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"427478"	642.494023	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"788473"	954.724123	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1686993"	330.263923	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"344025"	321.7506495	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"737174"	477.8656995	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1490267"	165.6355995	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"401290"	647.449418	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"760098"	959.679518	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1608204"	335.219318	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"323707"	324.228347	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"711756"	480.343397	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1471044"	168.113297	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1056636"	112.41129	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1262690"	345.263586	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"383451"	663.423358	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"747728"	975.653458	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1549781"	351.193258	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"306956"	332.215317	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"693909"	488.330367	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1447734"	176.100267	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"237793"	666.494026	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1213419"	354.263926	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1196206"	177.635601	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"192724"	669.43136	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"634834"	981.66146	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1139069"	357.20126	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"181629"	335.219318	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"619731"	491.334368	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1118133"	179.104268	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1402386"	119.738604	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1431952"	359.242846	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"224928"	340.25234	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1508974"	373.29489	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"409032"	343.206288	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"770176"	499.321338	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1666348"	187.091238	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"251474"	688.475968	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1225693"	376.245868	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1715208"	376.269393	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1179830"	127.065918	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1655564"	381.224788	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"161332"	701.37924	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"599799"	1013.60934	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1084240"	389.14914	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"144045"	351.193258	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"584334"	507.308308	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1071763"	195.078208	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1100840"	391.163692	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1337348"	391.251307	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1007699"	395.290476	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1524565"	396.284108	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"992274"	198.148876	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1587298"	397.198728	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1414540"	427.230238	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1147084"	218.662151	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1698476"	444.256785	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1635588"	449.21218	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1573060"	465.18612	"C14836"	"910-1213-Diepoxyoctadecanoate;910-1213-Diepoxyoctadecanoic acid"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"816552"	330.2406	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M"	0
"984981"	311.22221	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-H2O-H"	-19.01839
"72134"	219.153124	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M-3H"	-3.021828
"510601"	329.233324	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M-3H"	-3.021828
"889500"	109.072924	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-3H"	-3.021828
"6980"	329.233324	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M-2H"	-2.014552
"446541"	494.353624	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M-2H"	-2.014552
"825437"	164.113024	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-2H"	-2.014552
"86524"	659.473924	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M-H"	-1.007276
"529366"	989.714524	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M-H"	-1.007276
"906075"	329.233324	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-H"	-1.007276
"59356"	676.500471	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M-2H+NH4"	16.019271
"501954"	1006.741071	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M-2H+NH4"	16.019271
"876718"	346.259871	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-2H+NH4"	16.019271
"42432"	681.455866	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M-2H+Na"	20.974666
"485882"	1011.696466	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M-2H+Na"	20.974666
"854325"	351.215266	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-2H+Na"	20.974666
"1619402"	351.215266	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Na-2H"	20.974666
"100387"	347.221663	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M-H+Cl"	33.962126
"534756"	512.341963	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M-H+Cl"	33.962126
"928597"	182.101363	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-H+Cl"	33.962126
"275302"	695.450602	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+Cl"	34.969402
"665537"	1025.691202	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+Cl"	34.969402
"1276845"	365.210002	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Cl"	34.969402
"20505"	697.429806	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M-2H+K"	36.948606
"456419"	1027.670406	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M-2H+K"	36.948606
"834214"	367.189206	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-2H+K"	36.948606
"1559524"	367.189206	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+K-2H"	36.948606
"944494"	375.238794	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-H+HCOOH"	44.998194
"364166"	705.479401	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+HCOOH-H"	44.998201
"348051"	719.495051	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+Hac-H"	59.013851
"1493605"	389.254451	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Hac-H"	59.013851
"960174"	397.220751	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-H+NaCOOH"	66.980151
"112241"	365.210002	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+2Cl"	69.938804
"553990"	530.330302	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+2Cl"	69.938804
"1022790"	200.089702	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2Cl"	69.938804
"1242368"	409.159485	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Br"	78.918885
"1304572"	411.215472	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Cl+HCOOH"	80.974872
"1320490"	433.197429	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Cl+NaCOOH"	102.956829
"918838"	443.226186	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M-H+CF3COOH"	112.985586
"1293357"	479.202864	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Cl+CF3COOH"	148.962264
"1372619"	295.227924	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H-2H2O"	-35.012676
"1383307"	313.2379	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H-H2O"	-17.0027
"293084"	661.488476	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+H"	1.007276
"677852"	991.729076	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+H"	1.007276
"1351647"	331.247876	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H"	1.007276
"129273"	331.247876	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+2H"	2.014552
"568832"	496.368176	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+2H"	2.014552
"1038726"	166.127576	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2H"	2.014552
"206991"	221.167676	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+3H"	3.021828
"645458"	331.247876	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+3H"	3.021828
"1166500"	111.087476	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+3H"	3.021828
"425401"	678.515023	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+NH4"	18.033823
"787489"	1008.755623	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+NH4"	18.033823
"1684917"	348.274423	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+NH4"	18.033823
"339758"	339.7611495	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+H+NH4"	19.041099
"735460"	504.8814495	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+H+NH4"	19.041099
"1488188"	174.6408495	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H+NH4"	19.041099
"399213"	683.470418	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+Na"	22.989218
"760206"	1013.711018	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+Na"	22.989218
"1611594"	353.229818	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Na"	22.989218
"322724"	342.238847	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+H+Na"	23.996494
"711866"	507.359147	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+H+Na"	23.996494
"1468968"	177.118547	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H+Na"	23.996494
"1057839"	118.41479	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2H+Na"	25.00377
"1264987"	363.274086	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+CH3OH+H"	33.033486
"387932"	699.444358	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+K"	38.963158
"746745"	1029.684958	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+K"	38.963158
"1550984"	369.203758	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+K"	38.963158
"305972"	350.225817	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+H+K"	39.970434
"695111"	515.346117	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+H+K"	39.970434
"1446380"	185.105517	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H+K"	39.970434
"237538"	702.515026	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+ACN+H"	42.033826
"1213529"	372.274426	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+ACN+H"	42.033826
"1197776"	186.640851	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+ACN+2H"	43.041102
"191376"	705.45236	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+2Na-H"	44.97116
"633487"	1035.69296	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+2Na-H"	44.97116
"1138815"	375.21176	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2Na-H"	44.97116
"179552"	353.229818	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+2Na"	45.978436
"621664"	518.350118	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+2Na"	45.978436
"1119336"	188.109518	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2Na"	45.978436
"1403590"	125.742104	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H+2Na"	46.985712
"1431085"	377.253346	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H+HCOOH"	47.012746
"223945"	358.26284	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+3H2O+2H"	56.04448
"1509573"	391.30539	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+IsoProp+H"	61.06479
"410965"	361.216788	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+Na+K"	61.952376
"771102"	526.337088	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+Na+K"	61.952376
"1666944"	196.096488	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Na+K"	61.952376
"252051"	724.496968	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+ACN+Na"	64.015768
"1226137"	394.256368	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+ACN+Na"	64.015768
"1713982"	394.279893	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+NH4+HCOOH"	64.039293
"1179576"	133.069418	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+3Na"	68.967654
"1656403"	399.235288	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Na+HCOOH"	68.994688
"161443"	737.40024	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+2K-H"	76.91904
"601369"	1067.64084	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+2K-H"	76.91904
"1084785"	407.15964	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2K-H"	76.91904
"143791"	369.203758	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"2M+2K"	77.926316
"582621"	534.324058	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"3M+2K"	77.926316
"1071144"	204.083458	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2K"	77.926316
"1100217"	409.174192	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2K+H"	78.933592
"1336117"	409.261807	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+DMSO+H"	79.021207
"1008902"	413.300976	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2ACN+H"	83.060376
"1526057"	414.294608	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+IsoProp+Na+H"	84.054008
"995664"	207.154126	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+2ACN+2H"	84.067652
"1589073"	415.209228	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+K+HCOOH"	84.968628
"1414242"	445.240738	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+H+CF3COOH"	115.000138
"1147328"	227.667401	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+3ACN+2H"	125.094202
"1697490"	462.267285	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+NH4+CF3COOH"	132.026685
"1638978"	467.22268	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+Na+CF3COOH"	136.98208
"1572806"	483.19662	"C14837"	"910-Dihydroxy-1213-epoxyoctadecanoate;910-Dihydroxy-1213-epoxyoctadecanoic acid"	"C18H34O5"	"330.2406"	"M+K+CF3COOH"	152.95602
"816662"	356.0386	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M"	0
"981811"	337.02021	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-H2O-H"	-19.01839
"70057"	236.351790666667	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M-3H"	-3.021828
"511804"	355.031324	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M-3H"	-3.021828
"887422"	117.672257333333	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-3H"	-3.021828
"5995"	355.031324	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M-2H"	-2.014552
"443733"	533.050624	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M-2H"	-2.014552
"821535"	177.012024	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-2H"	-2.014552
"87726"	711.069924	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M-H"	-1.007276
"526192"	1067.108524	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M-H"	-1.007276
"905088"	355.031324	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-H"	-1.007276
"55090"	728.096471	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M-2H+NH4"	16.019271
"500118"	1084.135071	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M-2H+NH4"	16.019271
"872452"	372.057871	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-2H+NH4"	16.019271
"42540"	733.051866	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M-2H+Na"	20.974666
"483196"	1089.090466	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M-2H+Na"	20.974666
"851397"	377.013266	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-2H+Na"	20.974666
"1619350"	377.013266	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Na-2H"	20.974666
"98310"	373.019663	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M-H+Cl"	33.962126
"534703"	551.038963	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M-H+Cl"	33.962126
"927321"	195.000363	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-H+Cl"	33.962126
"276505"	747.046602	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+Cl"	34.969402
"666740"	1103.085202	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+Cl"	34.969402
"1278048"	391.008002	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Cl"	34.969402
"22802"	749.025806	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M-2H+K"	36.948606
"457987"	1105.064406	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M-2H+K"	36.948606
"833839"	392.987206	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-2H+K"	36.948606
"1557204"	392.987206	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+K-2H"	36.948606
"944238"	401.036794	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-H+HCOOH"	44.998194
"365368"	757.075401	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+HCOOH-H"	44.998201
"349252"	771.091051	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+Hac-H"	59.013851
"1495900"	415.052451	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Hac-H"	59.013851
"961256"	423.018751	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-H+NaCOOH"	66.980151
"111255"	391.008002	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+2Cl"	69.938804
"555193"	569.027302	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+2Cl"	69.938804
"1023993"	212.988702	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2Cl"	69.938804
"1243571"	434.957485	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Br"	78.918885
"1307113"	437.013472	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Cl+HCOOH"	80.974872
"1320964"	458.995429	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Cl+NaCOOH"	102.956829
"915668"	469.024186	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M-H+CF3COOH"	112.985586
"1292374"	505.000864	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Cl+CF3COOH"	148.962264
"1372729"	321.025924	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H-2H2O"	-35.012676
"1384022"	339.0359	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H-H2O"	-17.0027
"289914"	713.084476	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+H"	1.007276
"676133"	1069.123076	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+H"	1.007276
"1352122"	357.045876	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H"	1.007276
"128289"	357.045876	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+2H"	2.014552
"568942"	535.065176	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+2H"	2.014552
"1037617"	179.026576	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2H"	2.014552
"207101"	238.366342666667	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+3H"	3.021828
"649577"	357.045876	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+3H"	3.021828
"1166610"	119.686809333333	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+3H"	3.021828
"424619"	730.111023	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+NH4"	18.033823
"789786"	1086.149623	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+NH4"	18.033823
"1687213"	374.072423	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+NH4"	18.033823
"335494"	365.5591495	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+H+NH4"	19.041099
"735570"	543.5784495	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+H+NH4"	19.041099
"1488298"	187.5398495	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H+NH4"	19.041099
"404789"	735.066418	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+Na"	22.989218
"759222"	1091.105018	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+Na"	22.989218
"1607329"	379.027818	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Na"	22.989218
"316273"	368.036847	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+H+Na"	23.996494
"708695"	546.056147	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+H+Na"	23.996494
"1471264"	190.017547	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H+Na"	23.996494
"1063416"	127.014123333333	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2H+Na"	25.00377
"1268377"	389.072086	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+CH3OH+H"	33.033486
"385856"	751.040358	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+K"	38.963158
"746855"	1107.078958	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+K"	38.963158
"1550001"	395.001758	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+K"	38.963158
"306082"	376.023817	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+H+K"	39.970434
"694128"	554.043117	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+H+K"	39.970434
"1446249"	198.004517	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H+K"	39.970434
"240930"	754.111026	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+ACN+H"	42.033826
"1213639"	398.072426	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+ACN+H"	42.033826
"1196793"	199.539851	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+ACN+2H"	43.041102
"194768"	757.04836	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+2Na-H"	44.97116
"633233"	1113.08696	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+2Na-H"	44.97116
"1140018"	401.00976	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2Na-H"	44.97116
"176747"	379.027818	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+2Na"	45.978436
"619587"	557.047118	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+2Na"	45.978436
"1120905"	201.008518	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2Na"	45.978436
"1404429"	134.341437333333	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H+2Na"	46.985712
"1431320"	403.051346	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H+HCOOH"	47.012746
"224055"	384.06084	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+3H2O+2H"	56.04448
"1509806"	417.10339	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+IsoProp+H"	61.06479
"409495"	387.014788	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+Na+K"	61.952376
"770730"	565.034088	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+Na+K"	61.952376
"1667176"	208.995488	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Na+K"	61.952376
"251677"	776.092968	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+ACN+Na"	64.015768
"1226897"	420.054368	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+ACN+Na"	64.015768
"1714092"	420.077893	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+NH4+HCOOH"	64.039293
"1180415"	141.668751333333	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+3Na"	68.967654
"1655783"	425.033288	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Na+HCOOH"	68.994688
"159730"	788.99624	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+2K-H"	76.91904
"599169"	1145.03484	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+2K-H"	76.91904
"1085134"	432.95764	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2K-H"	76.91904
"143537"	395.001758	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"2M+2K"	77.926316
"582363"	573.021058	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"3M+2K"	77.926316
"1070890"	216.982458	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2K"	77.926316
"1100324"	434.972192	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2K+H"	78.933592
"1336104"	435.059807	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+DMSO+H"	79.021207
"1007188"	439.098976	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2ACN+H"	83.060376
"1526046"	440.092608	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+IsoProp+Na+H"	84.054008
"995774"	220.053126	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+2ACN+2H"	84.067652
"1588332"	441.007228	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+K+HCOOH"	84.968628
"1414592"	471.038738	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+H+CF3COOH"	115.000138
"1147681"	240.566401	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+3ACN+2H"	125.094202
"1697720"	488.065285	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+NH4+CF3COOH"	132.026685
"1635808"	493.02068	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+Na+CF3COOH"	136.98208
"1573645"	508.99462	"C14838"	"Y 23684;2-(4-Chlorophenyl)-56-dihydro-1benzothepino54-cpyridazin-3(2H)-one-7-oxide"	"C18H13ClN2O2S"	"356.0386"	"M+K+CF3COOH"	152.95602
"815922"	171.9524	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M"	0
"981921"	152.93401	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-H2O-H"	-19.01839
"70167"	113.627657333333	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M-3H"	-3.021828
"510821"	170.945124	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M-3H"	-3.021828
"886439"	56.3101906666667	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-3H"	-3.021828
"9385"	170.945124	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H"	-2.014552
"447852"	256.921324	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H"	-2.014552
"825655"	84.968924	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-2H"	-2.014552
"84556"	342.897524	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M-H"	-1.007276
"526302"	514.849924	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M-H"	-1.007276
"904105"	170.945124	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-H"	-1.007276
"54107"	359.924071	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H+NH4"	16.019271
"500229"	531.876471	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H+NH4"	16.019271
"871468"	187.971671	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-2H+NH4"	16.019271
"43743"	364.879466	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H+Na"	20.974666
"484398"	536.831866	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H+Na"	20.974666
"853452"	192.927066	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-2H+Na"	20.974666
"1619460"	192.927066	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Na-2H"	20.974666
"94343"	188.933463	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M-H+Cl"	33.962126
"535060"	274.909663	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M-H+Cl"	33.962126
"927966"	102.957263	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-H+Cl"	33.962126
"269324"	378.874202	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+Cl"	34.969402
"661743"	550.826602	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+Cl"	34.969402
"1273537"	206.921802	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl"	34.969402
"24005"	380.853406	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H+K"	36.948606
"460283"	552.805806	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H+K"	36.948606
"834434"	208.901006	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-2H+K"	36.948606
"1556948"	208.901006	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+K-2H"	36.948606
"943621"	216.950594	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-H+HCOOH"	44.998194
"362075"	388.903001	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+HCOOH-H"	44.998201
"347178"	402.918651	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+Hac-H"	59.013851
"1496010"	230.966251	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Hac-H"	59.013851
"961366"	238.932551	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-H+NaCOOH"	66.980151
"111001"	206.921802	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+2Cl"	69.938804
"555303"	292.898002	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+2Cl"	69.938804
"1026289"	120.945602	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2Cl"	69.938804
"1243681"	250.871285	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Br"	78.918885
"1307223"	252.927272	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl+HCOOH"	80.974872
"1320710"	274.909229	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl+NaCOOH"	102.956829
"915778"	284.937986	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M-H+CF3COOH"	112.985586
"1291391"	320.914664	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl+CF3COOH"	148.962264
"1375026"	136.939724	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H-2H2O"	-35.012676
"1384137"	154.9497	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H-H2O"	-17.0027
"290024"	344.912076	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+H"	1.007276
"677342"	516.864476	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+H"	1.007276
"1352961"	172.959676	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H"	1.007276
"131679"	172.959676	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+2H"	2.014552
"571239"	258.935876	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+2H"	2.014552
"1037728"	86.983476	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2H"	2.014552
"207211"	115.642209333333	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+3H"	3.021828
"646771"	172.959676	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+3H"	3.021828
"1164897"	58.3247426666667	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+3H"	3.021828
"424892"	361.938623	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+NH4"	18.033823
"787709"	533.891023	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+NH4"	18.033823
"1687323"	189.986223	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+NH4"	18.033823
"339978"	181.4729495	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+H+NH4"	19.041099
"736653"	267.4491495	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+H+NH4"	19.041099
"1487316"	95.4967495	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H+NH4"	19.041099
"404899"	366.894018	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+Na"	22.989218
"760426"	538.846418	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+Na"	22.989218
"1605252"	194.941618	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Na"	22.989218
"319664"	183.950647	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+H+Na"	23.996494
"709899"	269.926847	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+H+Na"	23.996494
"1469189"	97.974447	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H+Na"	23.996494
"1061341"	65.6520566666667	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2H+Na"	25.00377
"1265205"	204.985886	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+CH3OH+H"	33.033486
"385968"	382.867958	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+K"	38.963158
"750243"	554.820358	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+K"	38.963158
"1543548"	210.915558	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+K"	38.963158
"304003"	191.937617	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+H+K"	39.970434
"693873"	277.913817	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+H+K"	39.970434
"1445651"	105.961417	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H+K"	39.970434
"237029"	385.938626	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+ACN+H"	42.033826
"1211927"	213.986226	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+ACN+H"	42.033826
"1197998"	107.496751	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+ACN+2H"	43.041102
"190504"	388.87596	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+2Na-H"	44.97116
"629697"	560.82836	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+2Na-H"	44.97116
"1134661"	216.92356	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2Na-H"	44.97116
"175762"	194.941618	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+2Na"	45.978436
"617146"	280.917818	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+2Na"	45.978436
"1119558"	108.965418	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2Na"	45.978436
"1404542"	72.9793706666667	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H+2Na"	46.985712
"1430822"	218.965146	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H+HCOOH"	47.012746
"221367"	199.97464	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+3H2O+2H"	56.04448
"1509431"	233.01719	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+IsoProp+H"	61.06479
"410454"	202.928588	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+Na+K"	61.952376
"771083"	288.904788	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+Na+K"	61.952376
"1667048"	116.952388	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Na+K"	61.952376
"251749"	407.920568	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+ACN+Na"	64.015768
"1226277"	235.968168	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+ACN+Na"	64.015768
"1715902"	235.991693	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+NH4+HCOOH"	64.039293
"1180161"	80.3066846666667	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+3Na"	68.967654
"1652613"	240.947088	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Na+HCOOH"	68.994688
"164943"	420.82384	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+2K-H"	76.91904
"604505"	592.77624	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+2K-H"	76.91904
"1085607"	248.87144	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2K-H"	76.91904
"143402"	210.915558	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"2M+2K"	77.926316
"582719"	296.891758	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"3M+2K"	77.926316
"1069169"	124.939358	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2K"	77.926316
"1100558"	250.885992	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2K+H"	78.933592
"1341689"	250.973607	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+DMSO+H"	79.021207
"1006813"	255.012776	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2ACN+H"	83.060376
"1530531"	256.006408	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+IsoProp+Na+H"	84.054008
"996980"	128.010026	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+2ACN+2H"	84.067652
"1587346"	256.921028	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+K+HCOOH"	84.968628
"1415682"	286.952538	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+H+CF3COOH"	115.000138
"1147550"	148.523301	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+3ACN+2H"	125.094202
"1697588"	303.979085	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+NH4+CF3COOH"	132.026685
"1635918"	308.93448	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+Na+CF3COOH"	136.98208
"1574119"	324.90842	"C14839"	"Bromobenzene-34-oxide;Bromobenzene-34-epoxide"	"C6H5BrO"	"171.9524"	"M+K+CF3COOH"	152.95602
"814696"	171.9524	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M"	0
"987141"	152.93401	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-H2O-H"	-19.01839
"71372"	113.627657333333	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M-3H"	-3.021828
"509841"	170.945124	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M-3H"	-3.021828
"886549"	56.3101906666667	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-3H"	-3.021828
"11685"	170.945124	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H"	-2.014552
"449059"	256.921324	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H"	-2.014552
"823579"	84.968924	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-2H"	-2.014552
"86853"	342.897524	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M-H"	-1.007276
"523132"	514.849924	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M-H"	-1.007276
"903122"	170.945124	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-H"	-1.007276
"56405"	359.924071	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H+NH4"	16.019271
"499246"	531.876471	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H+NH4"	16.019271
"871580"	187.971671	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-2H+NH4"	16.019271
"40573"	364.879466	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H+Na"	20.974666
"481228"	536.831866	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H+Na"	20.974666
"852469"	192.927066	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-2H+Na"	20.974666
"1618606"	192.927066	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Na-2H"	20.974666
"94484"	188.933463	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M-H+Cl"	33.962126
"538093"	274.909663	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M-H+Cl"	33.962126
"929421"	102.957263	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-H+Cl"	33.962126
"269435"	378.874202	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+Cl"	34.969402
"661491"	550.826602	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+Cl"	34.969402
"1280458"	206.921802	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl"	34.969402
"21928"	380.853406	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M-2H+K"	36.948606
"458207"	552.805806	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M-2H+K"	36.948606
"833816"	208.901006	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-2H+K"	36.948606
"1555882"	208.901006	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+K-2H"	36.948606
"943002"	216.950594	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-H+HCOOH"	44.998194
"361635"	388.903001	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+HCOOH-H"	44.998201
"349475"	402.918651	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+Hac-H"	59.013851
"1492906"	230.966251	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Hac-H"	59.013851
"959653"	238.932551	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-H+NaCOOH"	66.980151
"110748"	206.921802	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+2Cl"	69.938804
"552133"	292.898002	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+2Cl"	69.938804
"1023119"	120.945602	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2Cl"	69.938804
"1245977"	250.871285	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Br"	78.918885
"1309520"	252.927272	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl+HCOOH"	80.974872
"1320816"	274.909229	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl+NaCOOH"	102.956829
"915888"	284.937986	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M-H+CF3COOH"	112.985586
"1296968"	320.914664	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Cl+CF3COOH"	148.962264
"1369668"	136.939724	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H-2H2O"	-35.012676
"1383637"	154.9497	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H-H2O"	-17.0027
"283807"	344.912076	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+H"	1.007276
"678179"	516.864476	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+H"	1.007276
"1353798"	172.959676	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H"	1.007276
"129602"	172.959676	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+2H"	2.014552
"573536"	258.935876	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+2H"	2.014552
"1037349"	86.983476	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2H"	2.014552
"206957"	115.642209333333	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+3H"	3.021828
"646517"	172.959676	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+3H"	3.021828
"1164643"	58.3247426666667	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+3H"	3.021828
"426094"	361.938623	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+NH4"	18.033823
"786482"	533.891023	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+NH4"	18.033823
"1686338"	189.986223	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+NH4"	18.033823
"336808"	181.4729495	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+H+NH4"	19.041099
"729229"	267.4491495	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+H+NH4"	19.041099
"1485237"	95.4967495	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H+NH4"	19.041099
"398448"	366.894018	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+Na"	22.989218
"758345"	538.846418	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+Na"	22.989218
"1604632"	194.941618	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Na"	22.989218
"317587"	183.950647	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+H+Na"	23.996494
"711101"	269.926847	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+H+Na"	23.996494
"1469298"	97.974447	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H+Na"	23.996494
"1063637"	65.6520566666667	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2H+Na"	25.00377
"1266410"	204.985886	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+CH3OH+H"	33.033486
"382798"	382.867958	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+K"	38.963158
"745979"	554.820358	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+K"	38.963158
"1544751"	210.915558	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+K"	38.963158
"301927"	191.937617	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+H+K"	39.970434
"694713"	277.913817	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+H+K"	39.970434
"1445981"	105.961417	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H+K"	39.970434
"237870"	385.938626	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+ACN+H"	42.033826
"1211673"	213.986226	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+ACN+H"	42.033826
"1198837"	107.496751	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+ACN+2H"	43.041102
"191708"	388.87596	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+2Na-H"	44.97116
"636735"	560.82836	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+2Na-H"	44.97116
"1138055"	216.92356	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2Na-H"	44.97116
"178063"	194.941618	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+2Na"	45.978436
"618716"	280.917818	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+2Na"	45.978436
"1118942"	108.965418	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2Na"	45.978436
"1401372"	72.9793706666667	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H+2Na"	46.985712
"1430567"	218.965146	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H+HCOOH"	47.012746
"221356"	199.97464	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+3H2O+2H"	56.04448
"1508692"	233.01719	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+IsoProp+H"	61.06479
"409110"	202.928588	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+Na+K"	61.952376
"771923"	288.904788	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+Na+K"	61.952376
"1666795"	116.952388	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Na+K"	61.952376
"251534"	407.920568	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+ACN+Na"	64.015768
"1227489"	235.968168	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+ACN+Na"	64.015768
"1716380"	235.991693	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+NH4+HCOOH"	64.039293
"1182827"	80.3066846666667	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+3Na"	68.967654
"1650893"	240.947088	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Na+HCOOH"	68.994688
"162500"	420.82384	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+2K-H"	76.91904
"600602"	592.77624	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+2K-H"	76.91904
"1084988"	248.87144	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2K-H"	76.91904
"148131"	210.915558	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"2M+2K"	77.926316
"583439"	296.891758	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"3M+2K"	77.926316
"1068536"	124.939358	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2K"	77.926316
"1103224"	250.885992	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2K+H"	78.933592
"1336815"	250.973607	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+DMSO+H"	79.021207
"1008142"	255.012776	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2ACN+H"	83.060376
"1526267"	256.006408	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+IsoProp+Na+H"	84.054008
"991744"	128.010026	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+2ACN+2H"	84.067652
"1587701"	256.921028	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+K+HCOOH"	84.968628
"1415308"	286.952538	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+H+CF3COOH"	115.000138
"1148270"	148.523301	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+3ACN+2H"	125.094202
"1700376"	303.979085	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+NH4+CF3COOH"	132.026685
"1636028"	308.93448	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+Na+CF3COOH"	136.98208
"1578240"	324.90842	"C14840"	"Bromobenzene-23-oxide;Bromobenzene-23-epoxide"	"C6H5BrO"	"171.9524"	"M+K+CF3COOH"	152.95602
"816509"	171.9524	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M"	0
"988582"	152.93401	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H2O-H"	-19.01839
"71482"	113.627657333333	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-3H"	-3.021828
"512137"	170.945124	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-3H"	-3.021828
"888846"	56.3101906666667	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-3H"	-3.021828
"11795"	170.945124	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H"	-2.014552
"452449"	256.921324	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H"	-2.014552
"821504"	84.968924	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H"	-2.014552
"90244"	342.897524	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-H"	-1.007276
"524337"	514.849924	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-H"	-1.007276
"902139"	170.945124	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H"	-1.007276
"51774"	359.924071	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H+NH4"	16.019271
"490972"	531.876471	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H+NH4"	16.019271
"872783"	187.971671	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H+NH4"	16.019271
"42871"	364.879466	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H+Na"	20.974666
"480245"	536.831866	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H+Na"	20.974666
"851485"	192.927066	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H+Na"	20.974666
"1620288"	192.927066	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na-2H"	20.974666
"95721"	188.933463	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-H+Cl"	33.962126
"538199"	274.909663	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-H+Cl"	33.962126
"933906"	102.957263	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+Cl"	33.962126
"274650"	378.874202	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Cl"	34.969402
"670352"	550.826602	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+Cl"	34.969402
"1281663"	206.921802	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl"	34.969402
"20945"	380.853406	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M-2H+K"	36.948606
"460504"	552.805806	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M-2H+K"	36.948606
"833932"	208.901006	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-2H+K"	36.948606
"1556326"	208.901006	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K-2H"	36.948606
"942988"	216.950594	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+HCOOH"	44.998194
"365706"	388.903001	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+HCOOH-H"	44.998201
"349589"	402.918651	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Hac-H"	59.013851
"1495139"	230.966251	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Hac-H"	59.013851
"962680"	238.932551	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+NaCOOH"	66.980151
"119242"	206.921802	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2Cl"	69.938804
"556617"	292.898002	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2Cl"	69.938804
"1026511"	120.945602	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2Cl"	69.938804
"1246088"	250.871285	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Br"	78.918885
"1309630"	252.927272	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl+HCOOH"	80.974872
"1322750"	274.909229	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl+NaCOOH"	102.956829
"915997"	284.937986	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M-H+CF3COOH"	112.985586
"1293798"	320.914664	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Cl+CF3COOH"	148.962264
"1373058"	136.939724	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H-2H2O"	-35.012676
"1386180"	154.9497	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H-H2O"	-17.0027
"284771"	344.912076	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H"	1.007276
"679382"	516.864476	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H"	1.007276
"1353545"	172.959676	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H"	1.007276
"130077"	172.959676	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2H"	2.014552
"573646"	258.935876	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2H"	2.014552
"1041349"	86.983476	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2H"	2.014552
"207794"	115.642209333333	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+3H"	3.021828
"652095"	172.959676	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+3H"	3.021828
"1168033"	58.3247426666667	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+3H"	3.021828
"429121"	361.938623	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+NH4"	18.033823
"790480"	533.891023	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+NH4"	18.033823
"1686813"	189.986223	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+NH4"	18.033823
"343482"	181.4729495	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H+NH4"	19.041099
"732622"	267.4491495	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H+NH4"	19.041099
"1487536"	95.4967495	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+NH4"	19.041099
"398559"	366.894018	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Na"	22.989218
"757727"	538.846418	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+Na"	22.989218
"1609846"	194.941618	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na"	22.989218
"320978"	183.950647	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H+Na"	23.996494
"711211"	269.926847	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H+Na"	23.996494
"1470502"	97.974447	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+Na"	23.996494
"1060470"	65.6520566666667	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2H+Na"	25.00377
"1264336"	204.985886	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+CH3OH+H"	33.033486
"387283"	382.867958	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+K"	38.963158
"747183"	554.820358	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+K"	38.963158
"1543769"	210.915558	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K"	38.963158
"305318"	191.937617	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+H+K"	39.970434
"696647"	277.913817	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+H+K"	39.970434
"1450469"	105.961417	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+K"	39.970434
"240167"	385.938626	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+ACN+H"	42.033826
"1213969"	213.986226	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+ACN+H"	42.033826
"1198946"	107.496751	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+ACN+2H"	43.041102
"196191"	388.87596	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2Na-H"	44.97116
"637938"	560.82836	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2Na-H"	44.97116
"1134884"	216.92356	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2Na-H"	44.97116
"174528"	194.941618	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2Na"	45.978436
"617733"	280.917818	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2Na"	45.978436
"1120146"	108.965418	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2Na"	45.978436
"1403669"	72.9793706666667	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+2Na"	46.985712
"1431043"	218.965146	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+HCOOH"	47.012746
"221227"	199.97464	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+3H2O+2H"	56.04448
"1511352"	233.01719	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+IsoProp+H"	61.06479
"411044"	202.928588	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+Na+K"	61.952376
"771309"	288.904788	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+Na+K"	61.952376
"1667274"	116.952388	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na+K"	61.952376
"254894"	407.920568	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+ACN+Na"	64.015768
"1233073"	235.968168	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+ACN+Na"	64.015768
"1716854"	235.991693	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+NH4+HCOOH"	64.039293
"1184397"	80.3066846666667	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+3Na"	68.967654
"1650644"	240.947088	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na+HCOOH"	68.994688
"160422"	420.82384	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2K-H"	76.91904
"597627"	592.77624	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2K-H"	76.91904
"1085460"	248.87144	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2K-H"	76.91904
"141915"	210.915558	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"2M+2K"	77.926316
"582564"	296.891758	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"3M+2K"	77.926316
"1068737"	124.939358	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2K"	77.926316
"1100781"	250.885992	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2K+H"	78.933592
"1335742"	250.973607	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+DMSO+H"	79.021207
"1006186"	255.012776	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2ACN+H"	83.060376
"1526500"	256.006408	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+IsoProp+Na+H"	84.054008
"990022"	128.010026	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+2ACN+2H"	84.067652
"1587149"	256.921028	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K+HCOOH"	84.968628
"1414482"	286.952538	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+H+CF3COOH"	115.000138
"1149842"	148.523301	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+3ACN+2H"	125.094202
"1700487"	303.979085	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+NH4+CF3COOH"	132.026685
"1634352"	308.93448	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+Na+CF3COOH"	136.98208
"1575069"	324.90842	"C14841"	"2-Bromophenol;o-Bromophenol"	"C6H5BrO"	"171.9524"	"M+K+CF3COOH"	152.95602
"816499"	189.9629	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M"	0
"987720"	170.94451	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H2O-H"	-19.01839
"73778"	125.634657333333	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-3H"	-3.021828
"512249"	188.955624	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-3H"	-3.021828
"888956"	62.3136906666667	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-3H"	-3.021828
"10810"	188.955624	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H"	-2.014552
"444905"	283.937074	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H"	-2.014552
"824891"	93.974174	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H"	-2.014552
"87070"	378.918524	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-H"	-1.007276
"524446"	568.881424	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-H"	-1.007276
"902248"	188.955624	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H"	-1.007276
"55526"	395.945071	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H+NH4"	16.019271
"496185"	585.907971	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H+NH4"	16.019271
"871800"	205.982171	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H+NH4"	16.019271
"40794"	400.900466	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H+Na"	20.974666
"480354"	590.863366	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H+Na"	20.974666
"859249"	210.937566	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H+Na"	20.974666
"1624409"	210.937566	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na-2H"	20.974666
"96196"	206.943963	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-H+Cl"	33.962126
"537945"	301.925413	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-H+Cl"	33.962126
"932923"	111.962513	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+Cl"	33.962126
"269653"	414.895202	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Cl"	34.969402
"664994"	604.858102	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+Cl"	34.969402
"1278492"	224.932302	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl"	34.969402
"19960"	416.874406	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H+K"	36.948606
"457333"	606.837306	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H+K"	36.948606
"834164"	226.911506	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H+K"	36.948606
"1557519"	226.911506	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K-2H"	36.948606
"942882"	234.961094	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+HCOOH"	44.998194
"365816"	424.924001	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+HCOOH-H"	44.998201
"356260"	438.939651	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Hac-H"	59.013851
"1502904"	248.976751	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Hac-H"	59.013851
"963884"	256.943051	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+NaCOOH"	66.980151
"119352"	224.932302	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2Cl"	69.938804
"558913"	319.913752	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2Cl"	69.938804
"1027713"	129.950852	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2Cl"	69.938804
"1247291"	268.881785	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Br"	78.918885
"1313020"	270.937772	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl+HCOOH"	80.974872
"1325048"	292.919729	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl+NaCOOH"	102.956829
"924855"	302.948486	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+CF3COOH"	112.985586
"1295001"	338.925164	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl+CF3COOH"	148.962264
"1373169"	154.950224	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H-2H2O"	-35.012676
"1389571"	172.9602	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H-H2O"	-17.0027
"286340"	380.933076	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H"	1.007276
"683868"	570.895976	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H"	1.007276
"1358027"	190.970176	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H"	1.007276
"133103"	190.970176	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2H"	2.014552
"573756"	285.951626	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2H"	2.014552
"1040365"	95.988726	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2H"	2.014552
"208997"	127.649209333333	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+3H"	3.021828
"652205"	190.970176	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+3H"	3.021828
"1169236"	64.3282426666667	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+3H"	3.021828
"429596"	397.959623	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+NH4"	18.033823
"790591"	587.922523	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+NH4"	18.033823
"1688745"	207.996723	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+NH4"	18.033823
"341405"	199.4834495	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H+NH4"	19.041099
"730545"	294.4648995	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H+NH4"	19.041099
"1486554"	104.5019995	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+NH4"	19.041099
"399762"	402.915018	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Na"	22.989218
"759660"	592.877918	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+Na"	22.989218
"1606672"	212.952118	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na"	22.989218
"319993"	201.961147	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H+Na"	23.996494
"711318"	296.942597	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H+Na"	23.996494
"1472798"	106.979697	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+Na"	23.996494
"1062763"	71.6555566666667	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2H+Na"	25.00377
"1263351"	222.996386	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+CH3OH+H"	33.033486
"386665"	418.888958	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+K"	38.963158
"747294"	608.851858	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+K"	38.963158
"1546065"	228.926058	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K"	38.963158
"304336"	209.948117	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H+K"	39.970434
"696758"	304.929567	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H+K"	39.970434
"1448028"	114.966667	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+K"	39.970434
"237726"	421.959626	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+ACN+H"	42.033826
"1214446"	231.996726	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+ACN+H"	42.033826
"1195530"	116.502001	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+ACN+2H"	43.041102
"194116"	424.89696	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2Na-H"	44.97116
"636956"	614.85986	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2Na-H"	44.97116
"1140463"	234.93406	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2Na-H"	44.97116
"178285"	212.952118	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2Na"	45.978436
"617843"	307.933568	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2Na"	45.978436
"1118798"	117.970668	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2Na"	45.978436
"1403050"	78.9828706666667	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+2Na"	46.985712
"1431155"	236.975646	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+HCOOH"	47.012746
"224862"	217.98514	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+3H2O+2H"	56.04448
"1513289"	251.02769	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+IsoProp+H"	61.06479
"413340"	220.939088	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Na+K"	61.952376
"772876"	315.920538	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+Na+K"	61.952376
"1667022"	125.957638	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na+K"	61.952376
"258283"	443.941568	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+ACN+Na"	64.015768
"1230996"	253.978668	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+ACN+Na"	64.015768
"1714778"	254.002193	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+NH4+HCOOH"	64.039293
"1180497"	86.3101846666667	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+3Na"	68.967654
"1650874"	258.957588	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na+HCOOH"	68.994688
"157733"	456.84484	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2K-H"	76.91904
"598998"	646.80774	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2K-H"	76.91904
"1085093"	266.88194	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2K-H"	76.91904
"141466"	228.926058	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2K"	77.926316
"581985"	323.907508	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2K"	77.926316
"1069382"	133.944608	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2K"	77.926316
"1100234"	268.896492	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2K+H"	78.933592
"1335809"	268.984107	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+DMSO+H"	79.021207
"1005844"	273.023276	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2ACN+H"	83.060376
"1525880"	274.016908	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+IsoProp+Na+H"	84.054008
"990098"	137.015276	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2ACN+2H"	84.067652
"1587067"	274.931528	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K+HCOOH"	84.968628
"1415045"	304.963038	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+CF3COOH"	115.000138
"1148130"	157.528551	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+3ACN+2H"	125.094202
"1697438"	321.989585	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+NH4+CF3COOH"	132.026685
"1646090"	326.94498	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na+CF3COOH"	136.98208
"1574087"	342.91892	"C14842"	"Bromobenzene-23-dihydrodiol;3-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K+CF3COOH"	152.95602
"817069"	187.9473	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M"	0
"988923"	168.92891	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-H2O-H"	-19.01839
"77898"	124.290924	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M-3H"	-3.021828
"515639"	186.940024	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M-3H"	-3.021828
"890158"	61.641824	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-3H"	-3.021828
"8734"	186.940024	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M-2H"	-2.014552
"448296"	280.913674	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M-2H"	-2.014552
"822816"	92.966374	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-2H"	-2.014552
"86087"	374.887324	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M-H"	-1.007276
"524556"	562.834624	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M-H"	-1.007276
"902356"	186.940024	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-H"	-1.007276
"57823"	391.913871	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M-2H+NH4"	16.019271
"498482"	579.861171	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M-2H+NH4"	16.019271
"877378"	203.966571	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-2H+NH4"	16.019271
"40904"	396.869266	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M-2H+Na"	20.974666
"481557"	584.816566	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M-2H+Na"	20.974666
"858267"	208.921966	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-2H+Na"	20.974666
"1627800"	208.921966	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Na-2H"	20.974666
"97400"	204.928363	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M-H+Cl"	33.962126
"537689"	298.902013	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M-H+Cl"	33.962126
"935220"	110.954713	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-H+Cl"	33.962126
"270489"	410.864002	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+Cl"	34.969402
"662548"	598.811302	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+Cl"	34.969402
"1280788"	222.916702	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Cl"	34.969402
"20070"	412.843206	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M-2H+K"	36.948606
"461816"	600.790506	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M-2H+K"	36.948606
"837433"	224.895906	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-2H+K"	36.948606
"1557640"	224.895906	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+K-2H"	36.948606
"946618"	232.945494	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-H+HCOOH"	44.998194
"365925"	420.892801	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+HCOOH-H"	44.998201
"357462"	434.908451	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+Hac-H"	59.013851
"1498640"	246.961151	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Hac-H"	59.013851
"967274"	254.927451	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-H+NaCOOH"	66.980151
"116182"	222.916702	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+2Cl"	69.938804
"559023"	316.890352	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+2Cl"	69.938804
"1028918"	128.943052	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2Cl"	69.938804
"1249589"	266.866185	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Br"	78.918885
"1312037"	268.922172	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Cl+HCOOH"	80.974872
"1321878"	290.904129	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Cl+NaCOOH"	102.956829
"921685"	300.932886	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M-H+CF3COOH"	112.985586
"1292195"	336.909564	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Cl+CF3COOH"	148.962264
"1378746"	152.934624	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H-2H2O"	-35.012676
"1391868"	170.9446	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H-H2O"	-17.0027
"289367"	376.901876	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+H"	1.007276
"687258"	564.849176	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+H"	1.007276
"1358139"	188.954576	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H"	1.007276
"133215"	188.954576	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+2H"	2.014552
"573866"	282.928226	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+2H"	2.014552
"1041570"	94.980926	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2H"	2.014552
"208743"	126.305476	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+3H"	3.021828
"650128"	188.954576	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+3H"	3.021828
"1168253"	63.656376	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+3H"	3.021828
"431530"	393.928423	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+NH4"	18.033823
"792525"	581.875723	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+NH4"	18.033823
"1688855"	205.981123	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+NH4"	18.033823
"345039"	197.4678495	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+H+NH4"	19.041099
"732842"	291.4414995	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+H+NH4"	19.041099
"1487392"	103.4941995	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H+NH4"	19.041099
"398779"	398.883818	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+Na"	22.989218
"758677"	586.831118	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+Na"	22.989218
"1608968"	210.936518	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Na"	22.989218
"321196"	199.945547	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+H+Na"	23.996494
"712521"	293.919197	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+H+Na"	23.996494
"1474001"	105.971897	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H+Na"	23.996494
"1059593"	70.98369	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2H+Na"	25.00377
"1263458"	220.980786	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+CH3OH+H"	33.033486
"385318"	414.857758	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+K"	38.963158
"750685"	602.805058	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+K"	38.963158
"1551643"	226.910458	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+K"	38.963158
"307726"	207.932517	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+H+K"	39.970434
"701241"	301.906167	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+H+K"	39.970434
"1455063"	113.958867	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H+K"	39.970434
"245856"	417.928426	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+ACN+H"	42.033826
"1217472"	229.981126	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+ACN+H"	42.033826
"1206822"	115.494201	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+ACN+2H"	43.041102
"200786"	420.86576	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+2Na-H"	44.97116
"641075"	608.81306	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+2Na-H"	44.97116
"1141664"	232.91846	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2Na-H"	44.97116
"186049"	210.936518	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+2Na"	45.978436
"620140"	304.910168	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+2Na"	45.978436
"1123646"	116.962868	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2Na"	45.978436
"1401703"	78.311004	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H+2Na"	46.985712
"1433817"	234.960046	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H+HCOOH"	47.012746
"227888"	215.96954	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+3H2O+2H"	56.04448
"1511940"	249.01209	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+IsoProp+H"	61.06479
"410898"	218.923488	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+Na+K"	61.952376
"771892"	312.897138	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+Na+K"	61.952376
"1665793"	124.949838	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Na+K"	61.952376
"258394"	439.910368	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+ACN+Na"	64.015768
"1232200"	251.963068	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+ACN+Na"	64.015768
"1719991"	251.986593	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+NH4+HCOOH"	64.039293
"1182795"	85.638318	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+3Na"	68.967654
"1654147"	256.941988	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Na+HCOOH"	68.994688
"159186"	452.81364	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+2K-H"	76.91904
"598864"	640.76094	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+2K-H"	76.91904
"1085201"	264.86634	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2K-H"	76.91904
"149555"	226.910458	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"2M+2K"	77.926316
"586928"	320.884108	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"3M+2K"	77.926316
"1073628"	132.936808	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2K"	77.926316
"1100271"	266.880892	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2K+H"	78.933592
"1341036"	266.968507	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+DMSO+H"	79.021207
"1009566"	271.007676	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2ACN+H"	83.060376
"1524896"	272.001308	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+IsoProp+Na+H"	84.054008
"990370"	136.007476	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+2ACN+2H"	84.067652
"1591926"	272.915928	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+K+HCOOH"	84.968628
"1415882"	302.947438	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+H+CF3COOH"	115.000138
"1147511"	156.520751	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+3ACN+2H"	125.094202
"1698521"	319.973985	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+NH4+CF3COOH"	132.026685
"1646200"	324.92938	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+Na+CF3COOH"	136.98208
"1574197"	340.90332	"C14843"	"4-Bromocatechol"	"C6H5BrO2"	"187.9473"	"M+K+CF3COOH"	152.95602
"816474"	189.9629	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M"	0
"983565"	170.94451	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H2O-H"	-19.01839
"74000"	125.634657333333	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-3H"	-3.021828
"505906"	188.955624	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-3H"	-3.021828
"888080"	62.3136906666667	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-3H"	-3.021828
"9936"	188.955624	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H"	-2.014552
"444031"	283.937074	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H"	-2.014552
"824021"	93.974174	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H"	-2.014552
"87291"	378.918524	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-H"	-1.007276
"524665"	568.881424	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-H"	-1.007276
"903560"	188.955624	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H"	-1.007276
"52466"	395.945071	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H+NH4"	16.019271
"493119"	585.907971	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H+NH4"	16.019271
"875301"	205.982171	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H+NH4"	16.019271
"43201"	400.900466	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H+Na"	20.974666
"481667"	590.863366	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H+Na"	20.974666
"858377"	210.937566	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H+Na"	20.974666
"1627910"	210.937566	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na-2H"	20.974666
"97875"	206.943963	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-H+Cl"	33.962126
"538531"	301.925413	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-H+Cl"	33.962126
"935330"	111.962513	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+Cl"	33.962126
"271330"	414.895202	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Cl"	34.969402
"665213"	604.858102	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+Cl"	34.969402
"1280898"	224.932302	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl"	34.969402
"26739"	416.874406	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M-2H+K"	36.948606
"461926"	606.837306	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M-2H+K"	36.948606
"837543"	226.911506	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-2H+K"	36.948606
"1558114"	226.911506	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K-2H"	36.948606
"947821"	234.961094	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+HCOOH"	44.998194
"364942"	424.924001	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+HCOOH-H"	44.998201
"351012"	438.939651	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Hac-H"	59.013851
"1498750"	248.976751	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Hac-H"	59.013851
"965197"	256.943051	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+NaCOOH"	66.980151
"116292"	224.932302	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2Cl"	69.938804
"559133"	319.913752	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2Cl"	69.938804
"1031214"	129.950852	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2Cl"	69.938804
"1249699"	268.881785	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Br"	78.918885
"1311053"	270.937772	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl+HCOOH"	80.974872
"1324175"	292.919729	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl+NaCOOH"	102.956829
"923982"	302.948486	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M-H+CF3COOH"	112.985586
"1297408"	338.925164	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Cl+CF3COOH"	148.962264
"1377763"	154.950224	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H-2H2O"	-35.012676
"1395258"	172.9602	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H-H2O"	-17.0027
"289477"	380.933076	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H"	1.007276
"687368"	570.895976	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H"	1.007276
"1361529"	190.970176	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H"	1.007276
"133325"	190.970176	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2H"	2.014552
"570696"	285.951626	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2H"	2.014552
"1041680"	95.988726	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2H"	2.014552
"208488"	127.649209333333	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+3H"	3.021828
"652425"	190.970176	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+3H"	3.021828
"1168363"	64.3282426666667	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+3H"	3.021828
"430910"	397.959623	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+NH4"	18.033823
"792635"	587.922523	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+NH4"	18.033823
"1691152"	207.996723	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+NH4"	18.033823
"336154"	199.4834495	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H+NH4"	19.041099
"732952"	294.4648995	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H+NH4"	19.041099
"1487865"	104.5019995	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+NH4"	19.041099
"398890"	402.915018	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Na"	22.989218
"759881"	592.877918	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+Na"	22.989218
"1609070"	212.952118	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na"	22.989218
"323493"	201.961147	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H+Na"	23.996494
"714818"	296.942597	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H+Na"	23.996494
"1474111"	106.979697	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+Na"	23.996494
"1064442"	71.6555566666667	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2H+Na"	25.00377
"1263568"	222.996386	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+CH3OH+H"	33.033486
"390531"	418.888958	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+K"	38.963158
"753348"	608.851858	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+K"	38.963158
"1551754"	228.926058	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K"	38.963158
"310023"	209.948117	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+H+K"	39.970434
"702445"	304.929567	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+H+K"	39.970434
"1454079"	114.966667	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+K"	39.970434
"245966"	421.959626	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+ACN+H"	42.033826
"1219770"	231.996726	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+ACN+H"	42.033826
"1208634"	116.502001	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+ACN+2H"	43.041102
"199802"	424.89696	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2Na-H"	44.97116
"638268"	614.85986	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2Na-H"	44.97116
"1141774"	234.93406	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2Na-H"	44.97116
"177409"	212.952118	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2Na"	45.978436
"620249"	307.933568	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2Na"	45.978436
"1121569"	117.970668	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2Na"	45.978436
"1402178"	78.9828706666667	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+2Na"	46.985712
"1432467"	236.975646	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+HCOOH"	47.012746
"227996"	217.98514	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+3H2O+2H"	56.04448
"1511686"	251.02769	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+IsoProp+H"	61.06479
"411370"	220.939088	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+Na+K"	61.952376
"772731"	315.920538	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+Na+K"	61.952376
"1666512"	125.957638	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na+K"	61.952376
"255585"	443.941568	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+ACN+Na"	64.015768
"1231212"	253.978668	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+ACN+Na"	64.015768
"1721198"	254.002193	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+NH4+HCOOH"	64.039293
"1182177"	86.3101846666667	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+3Na"	68.967654
"1655351"	258.957588	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na+HCOOH"	68.994688
"160026"	456.84484	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2K-H"	76.91904
"598490"	646.80774	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2K-H"	76.91904
"1087380"	266.88194	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2K-H"	76.91904
"148573"	228.926058	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"2M+2K"	77.926316
"591414"	323.907508	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"3M+2K"	77.926316
"1072645"	133.944608	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2K"	77.926316
"1105854"	268.896492	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2K+H"	78.933592
"1336892"	268.984107	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+DMSO+H"	79.021207
"1016237"	273.023276	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2ACN+H"	83.060376
"1535457"	274.016908	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+IsoProp+Na+H"	84.054008
"994252"	137.015276	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+2ACN+2H"	84.067652
"1590943"	274.931528	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K+HCOOH"	84.968628
"1418792"	304.963038	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+H+CF3COOH"	115.000138
"1150173"	157.528551	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+3ACN+2H"	125.094202
"1700818"	321.989585	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+NH4+CF3COOH"	132.026685
"1646310"	326.94498	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+Na+CF3COOH"	136.98208
"1574307"	342.91892	"C14844"	"Bromobenzene-34-dihydrodiol;4-Bromo-35-cyclohexadiene-12-diol"	"C6H7BrO2"	"189.9629"	"M+K+CF3COOH"	152.95602
"816707"	187.9473	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M"	0
"986955"	168.92891	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-H2O-H"	-19.01839
"74111"	124.290924	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M-3H"	-3.021828
"504922"	186.940024	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M-3H"	-3.021828
"886003"	61.641824	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-3H"	-3.021828
"8951"	186.940024	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M-2H"	-2.014552
"444141"	280.913674	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M-2H"	-2.014552
"824131"	92.966374	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-2H"	-2.014552
"84121"	374.887324	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M-H"	-1.007276
"525870"	562.834624	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M-H"	-1.007276
"902577"	186.940024	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-H"	-1.007276
"54764"	391.913871	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M-2H+NH4"	16.019271
"494323"	579.861171	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M-2H+NH4"	16.019271
"877598"	203.966571	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-2H+NH4"	16.019271
"44770"	396.869266	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M-2H+Na"	20.974666
"479590"	584.816566	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M-2H+Na"	20.974666
"859580"	208.921966	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-2H+Na"	20.974666
"1622551"	208.921966	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Na-2H"	20.974666
"96164"	204.928363	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M-H+Cl"	33.962126
"536817"	298.902013	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M-H+Cl"	33.962126
"933253"	110.954713	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-H+Cl"	33.962126
"268647"	410.864002	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+Cl"	34.969402
"663500"	598.811302	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+Cl"	34.969402
"1273592"	222.916702	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Cl"	34.969402
"17129"	412.843206	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M-2H+K"	36.948606
"456686"	600.790506	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M-2H+K"	36.948606
"837653"	224.895906	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-2H+K"	36.948606
"1555745"	224.895906	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+K-2H"	36.948606
"943429"	232.945494	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-H+HCOOH"	44.998194
"361968"	420.892801	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+HCOOH-H"	44.998201
"347842"	434.908451	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+Hac-H"	59.013851
"1495580"	246.961151	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Hac-H"	59.013851
"960568"	254.927451	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-H+NaCOOH"	66.980151
"112392"	222.916702	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+2Cl"	69.938804
"557056"	316.890352	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+2Cl"	69.938804
"1029136"	128.943052	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2Cl"	69.938804
"1247622"	266.866185	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Br"	78.918885
"1307883"	268.922172	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Cl+HCOOH"	80.974872
"1321733"	290.904129	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Cl+NaCOOH"	102.956829
"920812"	300.932886	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M-H+CF3COOH"	112.985586
"1297518"	336.909564	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Cl+CF3COOH"	148.962264
"1377873"	152.934624	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H-2H2O"	-35.012676
"1392088"	170.9446	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H-H2O"	-17.0027
"288493"	376.901876	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+H"	1.007276
"686385"	564.849176	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+H"	1.007276
"1359453"	188.954576	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H"	1.007276
"132342"	188.954576	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+2H"	2.014552
"570077"	282.928226	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+2H"	2.014552
"1040698"	94.980926	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2H"	2.014552
"207868"	126.305476	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+3H"	3.021828
"651442"	188.954576	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+3H"	3.021828
"1168473"	63.656376	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+3H"	3.021828
"432841"	393.928423	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+NH4"	18.033823
"793837"	581.875723	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+NH4"	18.033823
"1689075"	205.981123	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+NH4"	18.033823
"335171"	197.4678495	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+H+NH4"	19.041099
"727593"	291.4414995	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+H+NH4"	19.041099
"1482507"	103.4941995	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H+NH4"	19.041099
"396813"	398.883818	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+Na"	22.989218
"758898"	586.831118	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+Na"	22.989218
"1609180"	210.936518	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Na"	22.989218
"323604"	199.945547	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+H+Na"	23.996494
"714928"	293.919197	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+H+Na"	23.996494
"1470943"	105.971897	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H+Na"	23.996494
"1062730"	70.98369	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2H+Na"	25.00377
"1264771"	220.980786	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+CH3OH+H"	33.033486
"389912"	414.857758	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+K"	38.963158
"752000"	602.805058	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+K"	38.963158
"1550771"	226.910458	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+K"	38.963158
"310133"	207.932517	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+H+K"	39.970434
"703649"	301.906167	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+H+K"	39.970434
"1454189"	113.958867	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H+K"	39.970434
"247170"	417.928426	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+ACN+H"	42.033826
"1220972"	229.981126	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+ACN+H"	42.033826
"1208138"	115.494201	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+ACN+2H"	43.041102
"199912"	420.86576	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+2Na-H"	44.97116
"637285"	608.81306	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+2Na-H"	44.97116
"1140791"	232.91846	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2Na-H"	44.97116
"177518"	210.936518	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+2Na"	45.978436
"617079"	304.910168	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+2Na"	45.978436
"1118762"	116.962868	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2Na"	45.978436
"1402652"	78.311004	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H+2Na"	46.985712
"1432941"	234.960046	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H+HCOOH"	47.012746
"227013"	215.96954	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+3H2O+2H"	56.04448
"1510699"	249.01209	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+IsoProp+H"	61.06479
"410751"	218.923488	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+Na+K"	61.952376
"772841"	312.897138	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+Na+K"	61.952376
"1665726"	124.949838	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Na+K"	61.952376
"252089"	439.910368	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+ACN+Na"	64.015768
"1225803"	251.963068	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+ACN+Na"	64.015768
"1718386"	251.986593	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+NH4+HCOOH"	64.039293
"1181191"	85.638318	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+3Na"	68.967654
"1652543"	256.941988	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Na+HCOOH"	68.994688
"160133"	452.81364	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+2K-H"	76.91904
"597871"	640.76094	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+2K-H"	76.91904
"1087490"	264.86634	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2K-H"	76.91904
"147586"	226.910458	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"2M+2K"	77.926316
"590431"	320.884108	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"3M+2K"	77.926316
"1072755"	132.936808	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2K"	77.926316
"1105964"	266.880892	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2K+H"	78.933592
"1335788"	266.968507	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+DMSO+H"	79.021207
"1016347"	271.007676	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2ACN+H"	83.060376
"1535567"	272.001308	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+IsoProp+Na+H"	84.054008
"994362"	136.007476	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+2ACN+2H"	84.067652
"1591053"	272.915928	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+K+HCOOH"	84.968628
"1418902"	302.947438	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+H+CF3COOH"	115.000138
"1153563"	156.520751	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+3ACN+2H"	125.094202
"1699835"	319.973985	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+NH4+CF3COOH"	132.026685
"1644233"	324.92938	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+Na+CF3COOH"	136.98208
"1573324"	340.90332	"C14845"	"4-Bromophenol-23-epoxide"	"C6H5BrO2"	"187.9473"	"M+K+CF3COOH"	152.95602
"815355"	185.9316	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M"	0
"982691"	166.91321	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-H2O-H"	-19.01839
"73130"	122.947124	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M-3H"	-3.021828
"508316"	184.924324	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M-3H"	-3.021828
"886114"	60.969924	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-3H"	-3.021828
"12343"	184.924324	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M-2H"	-2.014552
"443159"	277.890124	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M-2H"	-2.014552
"822053"	91.958524	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-2H"	-2.014552
"85323"	370.855924	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M-H"	-1.007276
"528167"	556.787524	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M-H"	-1.007276
"909249"	184.924324	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-H"	-1.007276
"54874"	387.882471	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M-2H+NH4"	16.019271
"494434"	573.814071	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M-2H+NH4"	16.019271
"874428"	201.950871	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-2H+NH4"	16.019271
"42328"	392.837866	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M-2H+Na"	20.974666
"482981"	578.769466	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M-2H+Na"	20.974666
"857503"	206.906266	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-2H+Na"	20.974666
"1624849"	206.906266	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Na-2H"	20.974666
"99191"	202.912663	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M-H+Cl"	33.962126
"538021"	295.878463	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M-H+Cl"	33.962126
"930444"	109.946863	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-H+Cl"	33.962126
"270090"	406.832602	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+Cl"	34.969402
"663611"	592.764202	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+Cl"	34.969402
"1277472"	220.901002	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Cl"	34.969402
"20399"	408.811806	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M-2H+K"	36.948606
"459959"	594.743406	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M-2H+K"	36.948606
"836669"	222.880206	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-2H+K"	36.948606
"1556876"	222.880206	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+K-2H"	36.948606
"944758"	230.929794	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-H+HCOOH"	44.998194
"364066"	416.861401	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+HCOOH-H"	44.998201
"352326"	430.877051	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+Hac-H"	59.013851
"1497875"	244.945451	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Hac-H"	59.013851
"961042"	252.911751	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-H+NaCOOH"	66.980151
"116510"	220.901002	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+2Cl"	69.938804
"560447"	313.866802	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+2Cl"	69.938804
"1029246"	127.935202	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2Cl"	69.938804
"1247731"	264.850485	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Br"	78.918885
"1307993"	266.906472	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Cl+HCOOH"	80.974872
"1321843"	288.888429	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Cl+NaCOOH"	102.956829
"916548"	298.917186	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M-H+CF3COOH"	112.985586
"1294348"	334.893864	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Cl+CF3COOH"	148.962264
"1376889"	150.918924	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H-2H2O"	-35.012676
"1387824"	168.9289	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H-H2O"	-17.0027
"286416"	372.870476	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+H"	1.007276
"686495"	558.802076	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+H"	1.007276
"1359562"	186.938876	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H"	1.007276
"136825"	186.938876	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+2H"	2.014552
"570186"	279.904676	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+2H"	2.014552
"1044091"	93.973076	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2H"	2.014552
"209803"	124.961676	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+3H"	3.021828
"649365"	186.938876	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+3H"	3.021828
"1166030"	62.984476	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+3H"	3.021828
"431857"	389.897023	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+NH4"	18.033823
"792852"	575.828623	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+NH4"	18.033823
"1690278"	203.965423	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+NH4"	18.033823
"339652"	195.4521495	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+H+NH4"	19.041099
"729886"	288.4179495	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+H+NH4"	19.041099
"1483704"	102.4863495	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H+NH4"	19.041099
"396187"	394.852418	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+Na"	22.989218
"756089"	580.784018	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+Na"	22.989218
"1604912"	208.920818	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Na"	22.989218
"325897"	197.929847	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+H+Na"	23.996494
"712850"	290.895647	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+H+Na"	23.996494
"1471052"	104.964047	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H+Na"	23.996494
"1064297"	70.31179	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2H+Na"	25.00377
"1263788"	218.965086	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+CH3OH+H"	33.033486
"389658"	410.826358	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+K"	38.963158
"751017"	596.757958	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+K"	38.963158
"1551609"	224.894758	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+K"	38.963158
"308057"	205.916817	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+H+K"	39.970434
"701573"	298.882617	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+H+K"	39.970434
"1452113"	112.951017	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H+K"	39.970434
"244730"	413.897026	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+ACN+H"	42.033826
"1217803"	227.965426	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+ACN+H"	42.033826
"1206060"	114.486351	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+ACN+2H"	43.041102
"196742"	416.83436	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+2Na-H"	44.97116
"634115"	602.76596	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+2Na-H"	44.97116
"1134337"	230.90276	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2Na-H"	44.97116
"176167"	208.920818	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+2Na"	45.978436
"616823"	301.886618	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+2Na"	45.978436
"1118868"	115.955018	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2Na"	45.978436
"1400574"	77.639104	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H+2Na"	46.985712
"1432323"	232.944346	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H+HCOOH"	47.012746
"222748"	213.95384	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+3H2O+2H"	56.04448
"1509069"	246.99639	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+IsoProp+H"	61.06479
"414874"	216.907788	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+Na+K"	61.952376
"773316"	309.873588	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+Na+K"	61.952376
"1665919"	123.941988	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Na+K"	61.952376
"252521"	435.878968	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+ACN+Na"	64.015768
"1227051"	249.947368	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+ACN+Na"	64.015768
"1713627"	249.970893	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+NH4+HCOOH"	64.039293
"1180933"	84.966418	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+3Na"	68.967654
"1655571"	254.926288	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Na+HCOOH"	68.994688
"160246"	448.78224	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+2K-H"	76.91904
"601993"	634.71384	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+2K-H"	76.91904
"1088693"	262.85064	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2K-H"	76.91904
"147697"	224.894758	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"2M+2K"	77.926316
"586165"	317.860558	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"3M+2K"	77.926316
"1073958"	131.928958	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2K"	77.926316
"1106074"	264.865192	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2K+H"	78.933592
"1338084"	264.952807	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+DMSO+H"	79.021207
"1012083"	268.991976	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2ACN+H"	83.060376
"1534583"	269.985608	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+IsoProp+Na+H"	84.054008
"994470"	134.999626	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+2ACN+2H"	84.067652
"1588974"	270.900228	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+K+HCOOH"	84.968628
"1419009"	300.931738	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+H+CF3COOH"	115.000138
"1148204"	155.512901	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+3ACN+2H"	125.094202
"1697753"	317.958285	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+NH4+CF3COOH"	132.026685
"1643250"	322.91368	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+Na+CF3COOH"	136.98208
"1573434"	338.88762	"C14846"	"4-Bromo-35-cyclohexadiene-12-dione;4-Bromo-12-benzoquinone"	"C6H3BrO2"	"185.9316"	"M+K+CF3COOH"	152.95602
"815829"	479.0362	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M"	0
"984988"	460.01781	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H2O-H"	-19.01839
"76516"	318.350190666667	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-3H"	-3.021828
"511706"	478.028924	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-3H"	-3.021828
"890599"	158.671457333333	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-3H"	-3.021828
"9172"	478.028924	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H"	-2.014552
"446549"	717.547024	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H"	-2.014552
"823257"	238.510824	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H"	-2.014552
"85436"	957.065124	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-H"	-1.007276
"527182"	1436.101324	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-H"	-1.007276
"903890"	478.028924	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H"	-1.007276
"55348"	974.091671	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H+NH4"	16.019271
"494908"	1453.127871	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H+NH4"	16.019271
"871257"	495.055471	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H+NH4"	16.019271
"42438"	979.047066	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H+Na"	20.974666
"480904"	1458.083266	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H+Na"	20.974666
"857613"	500.010866	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H+Na"	20.974666
"1625323"	500.010866	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na-2H"	20.974666
"104769"	496.017263	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-H+Cl"	33.962126
"538133"	735.535363	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-H+Cl"	33.962126
"930555"	256.499163	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+Cl"	33.962126
"269839"	993.041802	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Cl"	34.969402
"664451"	1472.078002	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+Cl"	34.969402
"1282322"	514.005602	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl"	34.969402
"23789"	995.021006	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H+K"	36.948606
"460069"	1474.057206	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H+K"	36.948606
"834593"	515.984806	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H+K"	36.948606
"1558079"	515.984806	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K-2H"	36.948606
"943775"	524.034394	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+HCOOH"	44.998194
"365271"	1003.070601	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+HCOOH-H"	44.998201
"351341"	1017.086251	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Hac-H"	59.013851
"1496892"	538.050051	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Hac-H"	59.013851
"961152"	546.016351	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+NaCOOH"	66.980151
"116620"	514.005602	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2Cl"	69.938804
"556181"	753.523702	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2Cl"	69.938804
"1027167"	274.487502	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2Cl"	69.938804
"1247841"	557.955085	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Br"	78.918885
"1308103"	560.011072	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl+HCOOH"	80.974872
"1319934"	581.993029	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl+NaCOOH"	102.956829
"916657"	592.021786	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+CF3COOH"	112.985586
"1294458"	627.998464	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl+CF3COOH"	148.962264
"1373718"	444.023524	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H-2H2O"	-35.012676
"1383193"	462.0335	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H-H2O"	-17.0027
"286526"	959.079676	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H"	1.007276
"685512"	1438.115876	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H"	1.007276
"1356392"	480.043476	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H"	1.007276
"134747"	480.043476	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2H"	2.014552
"575399"	719.561576	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2H"	2.014552
"1039096"	240.525376	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2H"	2.014552
"207726"	320.364742666667	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+3H"	3.021828
"645099"	480.043476	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+3H"	3.021828
"1164319"	160.686009333333	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+3H"	3.021828
"434154"	976.106223	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+NH4"	18.033823
"790776"	1455.142423	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+NH4"	18.033823
"1690388"	497.070023	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+NH4"	18.033823
"338669"	488.5567495	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H+NH4"	19.041099
"731089"	728.0748495	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H+NH4"	19.041099
"1480899"	249.0386495	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+NH4"	19.041099
"395204"	981.061618	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Na"	22.989218
"758020"	1460.097818	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+Na"	22.989218
"1603932"	502.025418	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na"	22.989218
"318349"	491.034447	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H+Na"	23.996494
"709679"	730.552547	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H+Na"	23.996494
"1464586"	251.516347	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+Na"	23.996494
"1054552"	168.013323333333	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2H+Na"	25.00377
"1262795"	512.069686	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+CH3OH+H"	33.033486
"379189"	997.035558	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+K"	38.963158
"752949"	1476.071758	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+K"	38.963158
"1550990"	517.999358	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K"	38.963158
"308167"	499.021417	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H+K"	39.970434
"702776"	738.539517	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H+K"	39.970434
"1453316"	259.503317	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+K"	39.970434
"244112"	1000.106226	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+ACN+H"	42.033826
"1220099"	521.070026	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+ACN+H"	42.033826
"1206169"	261.038651	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+ACN+2H"	43.041102
"194665"	1003.04356	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2Na-H"	44.97116
"631669"	1482.07976	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2Na-H"	44.97116
"1134810"	524.00736	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2Na-H"	44.97116
"177008"	502.025418	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2Na"	45.978436
"618026"	741.543518	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2Na"	45.978436
"1119710"	262.507318	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2Na"	45.978436
"1401412"	175.340637333333	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+2Na"	46.985712
"1433162"	526.048946	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+HCOOH"	47.012746
"222130"	507.05844	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+3H2O+2H"	56.04448
"1512745"	540.10099	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+IsoProp+H"	61.06479
"414255"	510.012388	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Na+K"	61.952376
"772334"	749.530488	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+Na+K"	61.952376
"1667205"	270.494288	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na+K"	61.952376
"252996"	1022.088168	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+ACN+Na"	64.015768
"1228621"	543.051968	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+ACN+Na"	64.015768
"1713494"	543.075493	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+NH4+HCOOH"	64.039293
"1178579"	182.667951333333	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+3Na"	68.967654
"1655681"	548.030888	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na+HCOOH"	68.994688
"164731"	1034.99144	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2K-H"	76.91904
"601010"	1514.02764	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2K-H"	76.91904
"1088802"	555.95524	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2K-H"	76.91904
"147807"	517.999358	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2K"	77.926316
"589557"	757.517458	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2K"	77.926316
"1074068"	278.481258	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2K"	77.926316
"1106184"	557.969792	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2K+H"	78.933592
"1339288"	558.057407	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+DMSO+H"	79.021207
"1010004"	562.096576	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2ACN+H"	83.060376
"1534693"	563.090208	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+IsoProp+Na+H"	84.054008
"996767"	281.551926	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2ACN+2H"	84.067652
"1590174"	564.004828	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K+HCOOH"	84.968628
"1415837"	594.036338	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+CF3COOH"	115.000138
"1149408"	302.065201	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+3ACN+2H"	125.094202
"1697377"	611.062885	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+NH4+CF3COOH"	132.026685
"1642266"	616.01828	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na+CF3COOH"	136.98208
"1573544"	631.99222	"C14847"	"34-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K+CF3COOH"	152.95602
"816744"	479.0362	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M"	0
"987287"	460.01781	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H2O-H"	-19.01839
"77720"	318.350190666667	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-3H"	-3.021828
"514002"	478.028924	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-3H"	-3.021828
"890708"	158.671457333333	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-3H"	-3.021828
"11469"	478.028924	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H"	-2.014552
"447751"	717.547024	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H"	-2.014552
"825553"	238.510824	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H"	-2.014552
"88827"	957.065124	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-H"	-1.007276
"528387"	1436.101324	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-H"	-1.007276
"907281"	478.028924	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H"	-1.007276
"59468"	974.091671	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H+NH4"	16.019271
"499027"	1453.127871	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H+NH4"	16.019271
"879264"	495.055471	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H+NH4"	16.019271
"44735"	979.047066	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H+Na"	20.974666
"485390"	1458.083266	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H+Na"	20.974666
"862098"	500.010866	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H+Na"	20.974666
"1626162"	500.010866	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na-2H"	20.974666
"109700"	496.017263	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-H+Cl"	33.962126
"542254"	735.535363	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-H+Cl"	33.962126
"931027"	256.499163	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+Cl"	33.962126
"271408"	993.041802	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Cl"	34.969402
"666747"	1472.078002	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+Cl"	34.969402
"1285712"	514.005602	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl"	34.969402
"23899"	995.021006	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M-2H+K"	36.948606
"462367"	1474.057206	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M-2H+K"	36.948606
"837983"	515.984806	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-2H+K"	36.948606
"1565845"	515.984806	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K-2H"	36.948606
"950449"	524.034394	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+HCOOH"	44.998194
"365747"	1003.070601	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+HCOOH-H"	44.998201
"352546"	1017.086251	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Hac-H"	59.013851
"1502471"	538.050051	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Hac-H"	59.013851
"963449"	546.016351	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+NaCOOH"	66.980151
"114543"	514.005602	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2Cl"	69.938804
"560667"	753.523702	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2Cl"	69.938804
"1029466"	274.487502	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2Cl"	69.938804
"1251231"	557.955085	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Br"	78.918885
"1309306"	560.011072	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl+HCOOH"	80.974872
"1321334"	581.993029	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl+NaCOOH"	102.956829
"913851"	592.021786	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M-H+CF3COOH"	112.985586
"1291288"	627.998464	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Cl+CF3COOH"	148.962264
"1373828"	444.023524	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H-2H2O"	-35.012676
"1383141"	462.0335	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H-H2O"	-17.0027
"284449"	959.079676	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H"	1.007276
"689267"	1438.115876	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H"	1.007276
"1363064"	480.043476	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H"	1.007276
"132671"	480.043476	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2H"	2.014552
"571135"	719.561576	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2H"	2.014552
"1043217"	240.525376	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2H"	2.014552
"207471"	320.364742666667	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+3H"	3.021828
"649585"	480.043476	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+3H"	3.021828
"1165522"	160.686009333333	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+3H"	3.021828
"435358"	976.106223	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+NH4"	18.033823
"796353"	1455.142423	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+NH4"	18.033823
"1686488"	497.070023	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+NH4"	18.033823
"337687"	488.5567495	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H+NH4"	19.041099
"727923"	728.0748495	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H+NH4"	19.041099
"1480648"	249.0386495	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+NH4"	19.041099
"396045"	981.061618	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Na"	22.989218
"757036"	1460.097818	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+Na"	22.989218
"1605497"	502.025418	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na"	22.989218
"315544"	491.034447	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H+Na"	23.996494
"708087"	730.552547	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H+Na"	23.996494
"1463603"	251.516347	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+Na"	23.996494
"1054664"	168.013323333333	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2H+Na"	25.00377
"1262905"	512.069686	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+CH3OH+H"	33.033486
"380756"	997.035558	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+K"	38.963158
"751966"	1476.071758	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+K"	38.963158
"1551100"	517.999358	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K"	38.963158
"310464"	499.021417	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+H+K"	39.970434
"700700"	738.539517	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+H+K"	39.970434
"1455613"	259.503317	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+K"	39.970434
"246405"	1000.106226	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+ACN+H"	42.033826
"1219113"	521.070026	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+ACN+H"	42.033826
"1200809"	261.038651	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+ACN+2H"	43.041102
"196962"	1003.04356	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2Na-H"	44.97116
"634335"	1482.07976	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2Na-H"	44.97116
"1136748"	524.00736	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2Na-H"	44.97116
"175661"	502.025418	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2Na"	45.978436
"615221"	741.543518	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2Na"	45.978436
"1117389"	262.507318	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2Na"	45.978436
"1401158"	175.340637333333	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+2Na"	46.985712
"1434005"	526.048946	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+HCOOH"	47.012746
"222242"	507.05844	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+3H2O+2H"	56.04448
"1511034"	540.10099	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+IsoProp+H"	61.06479
"415094"	510.012388	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+Na+K"	61.952376
"774631"	749.530488	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+Na+K"	61.952376
"1668044"	270.494288	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na+K"	61.952376
"254200"	1022.088168	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+ACN+Na"	64.015768
"1227637"	543.051968	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+ACN+Na"	64.015768
"1712997"	543.075493	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+NH4+HCOOH"	64.039293
"1179695"	182.667951333333	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+3Na"	68.967654
"1651411"	548.030888	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na+HCOOH"	68.994688
"161559"	1034.99144	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2K-H"	76.91904
"598323"	1514.02764	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2K-H"	76.91904
"1086726"	555.95524	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2K-H"	76.91904
"147916"	517.999358	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"2M+2K"	77.926316
"587478"	757.517458	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"3M+2K"	77.926316
"1074178"	278.481258	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2K"	77.926316
"1105201"	557.969792	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2K+H"	78.933592
"1343772"	558.057407	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+DMSO+H"	79.021207
"1009023"	562.096576	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2ACN+H"	83.060376
"1534803"	563.090208	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+IsoProp+Na+H"	84.054008
"997971"	281.551926	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+2ACN+2H"	84.067652
"1590286"	564.004828	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K+HCOOH"	84.968628
"1417042"	594.036338	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+H+CF3COOH"	115.000138
"1147696"	302.065201	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+3ACN+2H"	125.094202
"1697246"	611.062885	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+NH4+CF3COOH"	132.026685
"1642376"	616.01828	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+Na+CF3COOH"	136.98208
"1574747"	631.99222	"C14848"	"23-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene"	"C16H22BrN3O7S"	"479.0362"	"M+K+CF3COOH"	152.95602
"817016"	268.0888	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M"	0
"986301"	249.07041	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"76736"	177.718590666667	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"510832"	267.081524	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"888632"	88.3556573333333	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"9393"	267.081524	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"446769"	401.125924	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"821653"	133.037124	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"86748"	535.170324	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"530317"	803.259124	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"906296"	267.081524	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"52284"	552.196871	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"495855"	820.285671	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"869282"	284.108071	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"36091"	557.152266	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"473951"	825.241066	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"854547"	289.063466	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1619830"	289.063466	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"99885"	285.069863	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"543456"	419.114263	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"929679"	151.025463	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"269694"	571.147002	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"667950"	839.235802	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1285822"	303.058202	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"27289"	573.126206	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"462476"	841.215006	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"835905"	305.037406	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1563767"	305.037406	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"950558"	313.086994	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"365491"	581.175801	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"352655"	595.191451	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1504766"	327.102651	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"963559"	335.068951	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"114653"	303.058202	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"554214"	437.102602	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1028481"	169.013802	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1244779"	347.007685	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1307228"	349.063672	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1320713"	371.045629	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"912133"	381.074386	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1289571"	417.051064	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1373938"	233.076124	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1383656"	251.0861	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"284923"	537.184876	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"687918"	805.273676	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1363174"	269.096076	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H"	1.007276
"132781"	269.096076	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"571246"	403.140476	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1043327"	135.051676	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"207944"	179.733142666667	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"649695"	269.096076	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1166726"	90.3702093333333	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"433281"	554.211423	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"793183"	822.300223	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1685140"	286.122623	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"336704"	277.6093495	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"728033"	411.6537495	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1480028"	143.5649495	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"394329"	559.166818	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"756053"	827.255618	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1605609"	291.078018	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"317101"	280.087047	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"707833"	414.131447	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1463711"	146.042647	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1053801"	97.6975233333333	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1261922"	301.122286	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"379408"	575.140758	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"749157"	843.229558	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1550117"	307.051958	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+K"	38.963158
"310574"	288.074017	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"699713"	422.118417	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1450617"	154.029617	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"247609"	578.211426	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1219223"	310.122626	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1200919"	155.564951	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"193790"	581.14876	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"632621"	849.23756	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1136858"	313.05996	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"177958"	291.078018	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"615695"	425.122418	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1118471"	157.033618	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1401632"	105.024837333333	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1435937"	315.101546	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"223445"	296.11104	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1512601"	329.15359	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"414111"	299.064988	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"772553"	433.109388	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1668519"	165.020588	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"254674"	600.193368	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1229935"	332.104568	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1713718"	332.128093	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1180898"	112.352151333333	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1651521"	337.083488	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"161669"	613.09664	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"599284"	881.18544	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1090116"	345.00784	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"146932"	307.051958	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"588681"	441.096358	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1074288"	173.007558	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1103124"	347.022392	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1341693"	347.110007	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1010226"	351.149176	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1529446"	352.142808	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"998081"	176.078226	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1589303"	353.057428	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1415450"	383.088938	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1147927"	196.591501	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1699180"	400.115485	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1642486"	405.07088	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1574857"	421.04482	"C14849"	"Benzoapyrene-910-oxide;Benzoapyrene-910-epoxide"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"814338"	268.0888	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M"	0
"983131"	249.07041	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"74662"	177.718590666667	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"504742"	267.081524	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"889834"	88.3556573333333	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"4038"	267.081524	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"444692"	401.125924	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"819576"	133.037124	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"83577"	535.170324	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"527510"	803.259124	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"901301"	267.081524	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"52762"	552.196871	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"491592"	820.285671	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"870490"	284.108071	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"34379"	557.152266	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"474305"	825.241066	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"854661"	289.063466	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1619576"	289.063466	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"99633"	285.069863	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"540288"	419.114263	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"927845"	151.025463	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"270171"	571.147002	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"660767"	839.235802	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1287395"	303.058202	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"26304"	573.126206	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"461493"	841.215006	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"836015"	305.037406	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1564970"	305.037406	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"952855"	313.086994	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"369975"	581.175801	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"354953"	595.191451	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1503783"	327.102651	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"964763"	335.068951	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"114763"	303.058202	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"557606"	437.102602	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1030779"	169.013802	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1250357"	347.007685	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1308431"	349.063672	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1320213"	371.045629	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"911921"	381.074386	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1288951"	417.051064	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1367482"	233.076124	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1383118"	251.0861	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"285762"	537.184876	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"687664"	805.273676	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1364377"	269.096076	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H"	1.007276
"132891"	269.096076	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"573543"	403.140476	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1043437"	135.051676	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"207689"	179.733142666667	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"648709"	269.096076	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1164649"	90.3702093333333	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"430113"	554.211423	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"792200"	822.300223	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1685250"	286.122623	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"332075"	277.6093495	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"725956"	411.6537495	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1477342"	143.5649495	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"394078"	559.166818	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"755071"	827.255618	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1604260"	291.078018	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"316481"	280.087047	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"707943"	414.131447	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1461633"	146.042647	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1053790"	97.6975233333333	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1262032"	301.122286	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"379154"	575.140758	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"750360"	843.229558	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1551320"	307.051958	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+K"	38.963158
"310684"	288.074017	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"702009"	422.118417	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1453642"	154.029617	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"239695"	578.211426	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1219333"	310.122626	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1199206"	155.564951	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"193900"	581.14876	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"633460"	849.23756	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1140248"	313.05996	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"178434"	291.078018	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"615441"	425.122418	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1118581"	157.033618	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1402470"	105.024837333333	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1434954"	315.101546	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"222462"	296.11104	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1509794"	329.15359	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"410210"	299.064988	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"774120"	433.109388	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1666808"	165.020588	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"251551"	600.193368	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1228591"	332.104568	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1713137"	332.128093	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1183928"	112.352151333333	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1654921"	337.083488	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"166155"	613.09664	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"610090"	881.18544	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1093509"	345.00784	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"152512"	307.051958	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"593166"	441.096358	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1075492"	173.007558	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1103234"	347.022392	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1342897"	347.110007	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1016898"	351.149176	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1532837"	352.142808	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"994911"	176.078226	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1592697"	353.057428	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1418357"	383.088938	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1151927"	196.591501	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1702572"	400.115485	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1644785"	405.07088	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1574967"	421.04482	"C14850"	"Benzoapyrene-78-oxide;Benzoapyrene-78-epoxide"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"815784"	268.0888	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M"	0
"982148"	249.07041	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"74773"	177.718590666667	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"511051"	267.081524	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"893225"	88.3556573333333	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"2446"	267.081524	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"443708"	401.125924	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"822602"	133.037124	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"86967"	535.170324	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"526526"	803.259124	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"903234"	267.081524	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"56516"	552.196871	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"493889"	820.285671	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"870598"	284.108071	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"35218"	557.152266	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"474413"	825.241066	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"851488"	289.063466	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1619929"	289.063466	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"97186"	285.069863	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"538211"	419.114263	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"932818"	151.025463	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"273562"	571.147002	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"661243"	839.235802	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1286657"	303.058202	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"27508"	573.126206	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"461603"	841.215006	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"841595"	305.037406	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1560708"	305.037406	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"951872"	313.086994	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"368992"	581.175801	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"352875"	595.191451	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1501707"	327.102651	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"965966"	335.068951	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"120342"	303.058202	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"556624"	437.102602	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1030891"	169.013802	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1250469"	347.007685	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1315103"	349.063672	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1322758"	371.045629	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"913817"	381.074386	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1289430"	417.051064	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1367716"	233.076124	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1383262"	251.0861	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"282945"	537.184876	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"684857"	805.273676	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1366679"	269.096076	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H"	1.007276
"133004"	269.096076	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"579123"	403.140476	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1040633"	135.051676	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"211448"	179.733142666667	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"651007"	269.096076	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1168040"	90.3702093333333	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"428037"	554.211423	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"789030"	822.300223	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1684631"	286.122623	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"331821"	277.6093495	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"726066"	411.6537495	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1477937"	143.5649495	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"395279"	559.166818	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"755182"	827.255618	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1604249"	291.078018	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"316593"	280.087047	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"707807"	414.131447	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1461746"	146.042647	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1054264"	97.6975233333333	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1259226"	301.122286	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"380722"	575.140758	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"748284"	843.229558	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1547054"	307.051958	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+K"	38.963158
"308606"	288.074017	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"699936"	422.118417	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1457036"	154.029617	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"242359"	578.211426	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1218350"	310.122626	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1200409"	155.564951	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"196198"	581.14876	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"632111"	849.23756	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1140358"	313.05996	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"178544"	291.078018	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"620291"	425.122418	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1125621"	157.033618	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1402217"	105.024837333333	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1434701"	315.101546	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"222937"	296.11104	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1510999"	329.15359	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"410320"	299.064988	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"771314"	433.109388	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1666547"	165.020588	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"251849"	600.193368	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1228702"	332.104568	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1713004"	332.128093	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1184039"	112.352151333333	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1654302"	337.083488	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"164080"	613.09664	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"605826"	881.18544	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1092526"	345.00784	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"153716"	307.051958	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"594371"	441.096358	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1077790"	173.007558	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1112094"	347.022392	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1348478"	347.110007	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1017008"	351.149176	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1536227"	352.142808	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"999395"	176.078226	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591713"	353.057428	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1417006"	383.088938	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1148025"	196.591501	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1704870"	400.115485	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1644895"	405.07088	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1573984"	421.04482	"C14851"	"Benzoapyrene-45-oxide;Benzoapyrene-45-epoxide"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"814922"	286.0994	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M"	0
"982258"	267.08101	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H2O-H"	-19.01839
"73787"	189.725657333333	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-3H"	-3.021828
"508975"	285.092124	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-3H"	-3.021828
"885680"	94.3591906666667	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-3H"	-3.021828
"3164"	285.092124	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H"	-2.014552
"443817"	428.141824	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H"	-2.014552
"818702"	142.042424	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H"	-2.014552
"83796"	571.191524	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H"	-1.007276
"525543"	857.290924	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H"	-1.007276
"900427"	285.092124	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H"	-1.007276
"55533"	588.218071	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+NH4"	16.019271
"491081"	874.317471	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+NH4"	16.019271
"868521"	302.118671	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+NH4"	16.019271
"34963"	593.173466	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+Na"	20.974666
"473793"	879.272866	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+Na"	20.974666
"850986"	307.074066	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+Na"	20.974666
"1621128"	307.074066	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na-2H"	20.974666
"96930"	303.080463	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H+Cl"	33.962126
"534990"	446.130163	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H+Cl"	33.962126
"932927"	160.030763	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+Cl"	33.962126
"271486"	607.168202	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Cl"	34.969402
"663905"	893.267602	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Cl"	34.969402
"1286401"	321.068802	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl"	34.969402
"22150"	609.147406	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+K"	36.948606
"463897"	895.246806	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+K"	36.948606
"842798"	323.048006	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+K"	36.948606
"1563004"	323.048006	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K-2H"	36.948606
"951981"	331.097594	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+HCOOH"	44.998194
"365822"	617.197001	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+HCOOH-H"	44.998201
"355172"	631.212651	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Hac-H"	59.013851
"1501817"	345.113251	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Hac-H"	59.013851
"966076"	353.079551	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+NaCOOH"	66.980151
"119358"	321.068802	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Cl"	69.938804
"556734"	464.118502	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Cl"	69.938804
"1027721"	178.019102	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Cl"	69.938804
"1251672"	365.018285	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Br"	78.918885
"1314849"	367.074272	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+HCOOH"	80.974872
"1321775"	389.056229	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+NaCOOH"	102.956829
"913927"	399.084986	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+CF3COOH"	112.985586
"1290994"	435.061664	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+CF3COOH"	148.962264
"1368190"	251.086724	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-2H2O"	-35.012676
"1383379"	269.0967	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-H2O"	-17.0027
"283548"	573.206076	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H"	1.007276
"684967"	859.305476	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H"	1.007276
"1365695"	287.106676	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H"	1.007276
"137486"	287.106676	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2H"	2.014552
"575953"	430.156376	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2H"	2.014552
"1039285"	144.056976	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H"	2.014552
"206454"	191.740209333333	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H"	3.021828
"648201"	287.106676	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+3H"	3.021828
"1168150"	96.3737426666667	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3H"	3.021828
"428146"	590.232623	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+NH4"	18.033823
"792420"	876.332023	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+NH4"	18.033823
"1685470"	304.133223	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4"	18.033823
"333752"	295.6199495	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+NH4"	19.041099
"725080"	438.6696495	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+NH4"	19.041099
"1478290"	152.5702495	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+NH4"	19.041099
"395389"	595.188018	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na"	22.989218
"757476"	881.287418	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na"	22.989218
"1603876"	309.088618	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na"	22.989218
"316339"	298.097647	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+Na"	23.996494
"707309"	441.147347	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+Na"	23.996494
"1461857"	155.047947	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+Na"	23.996494
"1053401"	103.701056666667	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H+Na"	25.00377
"1258727"	319.132886	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+CH3OH+H"	33.033486
"380103"	611.161958	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+K"	38.963158
"747301"	897.261358	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+K"	38.963158
"1546799"	325.062558	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K"	38.963158
"306530"	306.084617	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+K"	39.970434
"698224"	449.134317	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+K"	39.970434
"1453866"	163.034917	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+K"	39.970434
"242833"	614.232626	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+H"	42.033826
"1220646"	328.133226	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+H"	42.033826
"1198695"	164.570251	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+2H"	43.041102
"194119"	617.16996	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na-H"	44.97116
"631128"	903.26936	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na-H"	44.97116
"1140468"	331.07056	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na-H"	44.97116
"177196"	309.088618	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na"	45.978436
"615661"	452.138318	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na"	45.978436
"1124638"	166.038918	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na"	45.978436
"1401963"	111.028370666667	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+2Na"	46.985712
"1433717"	333.112146	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+HCOOH"	47.012746
"222319"	314.12164	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H2O+2H"	56.04448
"1512568"	347.16419	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+H"	61.06479
"413347"	317.075588	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na+K"	61.952376
"773612"	460.125288	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na+K"	61.952376
"1666296"	174.025888	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+K"	61.952376
"251843"	636.214568	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+Na"	64.015768
"1227337"	350.115168	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+Na"	64.015768
"1713677"	350.138693	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+HCOOH"	64.039293
"1179406"	118.355684666667	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3Na"	68.967654
"1656234"	355.094088	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+HCOOH"	68.994688
"163460"	649.11784	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K-H"	76.91904
"602656"	935.21724	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K-H"	76.91904
"1092636"	363.01844	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K-H"	76.91904
"151639"	325.062558	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K"	77.926316
"591201"	468.112258	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K"	77.926316
"1077900"	182.012858	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K"	77.926316
"1112204"	365.032992	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K+H"	78.933592
"1345308"	365.120607	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+DMSO+H"	79.021207
"1010557"	369.159776	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+H"	83.060376
"1529777"	370.153408	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+Na+H"	84.054008
"999505"	185.083526	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+2H"	84.067652
"1590730"	371.068028	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+HCOOH"	84.968628
"1416387"	401.099538	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+CF3COOH"	115.000138
"1148500"	205.596801	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3ACN+2H"	125.094202
"1703887"	418.126085	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+CF3COOH"	132.026685
"1645005"	423.08148	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+CF3COOH"	136.98208
"1574094"	439.05542	"C14852"	"Benzoapyrene-78-diol;Benzoapyrene-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+CF3COOH"	152.95602
"816126"	302.0943	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M"	0
"984555"	283.07591	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-H2O-H"	-19.01839
"73899"	200.388924	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M-3H"	-3.021828
"509084"	301.087024	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M-3H"	-3.021828
"885791"	99.690824	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-3H"	-3.021828
"5460"	301.087024	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M-2H"	-2.014552
"446114"	452.134174	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M-2H"	-2.014552
"825010"	150.039874	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-2H"	-2.014552
"85000"	603.181324	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M-H"	-1.007276
"531120"	905.275624	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M-H"	-1.007276
"904548"	301.087024	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-H"	-1.007276
"50903"	620.207871	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M-2H+NH4"	16.019271
"490827"	922.302171	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M-2H+NH4"	16.019271
"870088"	318.113571	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-2H+NH4"	16.019271
"36530"	625.163266	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M-2H+Na"	20.974666
"473903"	927.257566	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M-2H+Na"	20.974666
"851704"	323.068966	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-2H+Na"	20.974666
"1620630"	323.068966	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Na-2H"	20.974666
"96675"	319.075363	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M-H+Cl"	33.962126
"536233"	470.122513	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M-H+Cl"	33.962126
"930849"	168.028213	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-H+Cl"	33.962126
"273781"	639.158002	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+Cl"	34.969402
"664015"	941.252302	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+Cl"	34.969402
"1286266"	337.063702	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Cl"	34.969402
"22260"	641.137206	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M-2H+K"	36.948606
"460726"	943.231506	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M-2H+K"	36.948606
"840721"	339.042906	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-2H+K"	36.948606
"1563116"	339.042906	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+K-2H"	36.948606
"954280"	347.092494	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-H+HCOOH"	44.998194
"364110"	649.186801	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+HCOOH-H"	44.998201
"348358"	663.202451	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+Hac-H"	59.013851
"1495368"	361.108151	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Hac-H"	59.013851
"961087"	369.074451	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-H+NaCOOH"	66.980151
"118378"	337.063702	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+2Cl"	69.938804
"556846"	488.110852	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+2Cl"	69.938804
"1031112"	186.016552	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2Cl"	69.938804
"1250689"	381.013185	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Br"	78.918885
"1312044"	383.069172	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Cl+HCOOH"	80.974872
"1324071"	405.051129	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Cl+NaCOOH"	102.956829
"914765"	415.079886	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M-H+CF3COOH"	112.985586
"1293295"	451.056564	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Cl+CF3COOH"	148.962264
"1367936"	267.081624	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H-2H2O"	-35.012676
"1384219"	285.0916	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H-H2O"	-17.0027
"283659"	605.195876	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+H"	1.007276
"680703"	907.290176	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+H"	1.007276
"1365807"	303.101576	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H"	1.007276
"136503"	303.101576	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+2H"	2.014552
"577156"	454.148726	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+2H"	2.014552
"1040124"	152.054426	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2H"	2.014552
"208390"	202.403476	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+3H"	3.021828
"649405"	303.101576	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+3H"	3.021828
"1171540"	101.705376	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+3H"	3.021828
"429351"	622.222423	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+NH4"	18.033823
"790345"	924.316723	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+NH4"	18.033823
"1685215"	320.128123	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+NH4"	18.033823
"336049"	311.6148495	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+H+NH4"	19.041099
"727377"	462.6619995	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+H+NH4"	19.041099
"1479374"	160.5676995	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H+NH4"	19.041099
"396592"	627.177818	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+Na"	22.989218
"758682"	929.272118	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+Na"	22.989218
"1603745"	325.083518	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Na"	22.989218
"316816"	314.092547	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+H+Na"	23.996494
"708144"	465.139697	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+H+Na"	23.996494
"1462329"	163.045397	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H+Na"	23.996494
"1055216"	109.03269	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2H+Na"	25.00377
"1258718"	335.127786	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+CH3OH+H"	33.033486
"382035"	643.151758	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+K"	38.963158
"748504"	945.246058	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+K"	38.963158
"1548370"	341.057458	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+K"	38.963158
"309920"	322.079517	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+H+K"	39.970434
"698335"	473.126667	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+H+K"	39.970434
"1455070"	171.032367	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H+K"	39.970434
"240755"	646.222426	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+ACN+H"	42.033826
"1217476"	344.128126	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+ACN+H"	42.033826
"1198804"	172.567701	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+ACN+2H"	43.041102
"192404"	649.15976	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+2Na-H"	44.97116
"635613"	951.25406	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+2Na-H"	44.97116
"1142765"	347.06546	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2Na-H"	44.97116
"179494"	325.083518	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+2Na"	45.978436
"619782"	476.130668	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+2Na"	45.978436
"1124749"	174.036368	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2Na"	45.978436
"1402438"	116.360004	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H+2Na"	46.985712
"1434920"	349.107046	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H+HCOOH"	47.012746
"225709"	330.11654	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+3H2O+2H"	56.04448
"1517051"	363.15909	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+IsoProp+H"	61.06479
"417831"	333.070488	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+Na+K"	61.952376
"774816"	484.117638	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+Na+K"	61.952376
"1668593"	182.023338	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Na+K"	61.952376
"253289"	668.204368	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+ACN+Na"	64.015768
"1226726"	366.110068	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+ACN+Na"	64.015768
"1713547"	366.133593	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+NH4+HCOOH"	64.039293
"1180973"	123.687318	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+3Na"	68.967654
"1659625"	371.088988	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Na+HCOOH"	68.994688
"168674"	681.10764	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+2K-H"	76.91904
"611150"	983.20194	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+2K-H"	76.91904
"1097730"	379.01334	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2K-H"	76.91904
"155640"	341.057458	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"2M+2K"	77.926316
"596544"	492.104608	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"3M+2K"	77.926316
"1080197"	190.010308	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2K"	77.926316
"1114138"	381.027892	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2K+H"	78.933592
"1349671"	381.115507	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+DMSO+H"	79.021207
"1012855"	385.154676	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2ACN+H"	83.060376
"1529887"	386.148308	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+IsoProp+Na+H"	84.054008
"1000710"	193.080976	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+2ACN+2H"	84.067652
"1594121"	387.062928	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+K+HCOOH"	84.968628
"1418687"	417.094438	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+H+CF3COOH"	115.000138
"1152257"	213.594251	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+3ACN+2H"	125.094202
"1702903"	434.120985	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+NH4+CF3COOH"	132.026685
"1647302"	439.07638	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+Na+CF3COOH"	136.98208
"1574204"	455.05032	"C14853"	"Benzoapyrene-78-dihydrodiol-910-oxide;78-Dihydro-78-dihydroxybenzoapyrene 910-oxide"	"C20H14O3"	"302.0943"	"M+K+CF3COOH"	152.95602
"815143"	284.0837	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M"	0
"982478"	265.06531	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-H2O-H"	-19.01839
"72914"	188.381857333333	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M-3H"	-3.021828
"518505"	283.076424	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M-3H"	-3.021828
"885901"	93.6872906666667	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-3H"	-3.021828
"8850"	283.076424	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M-2H"	-2.014552
"448410"	425.118274	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M-2H"	-2.014552
"822932"	141.034574	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-2H"	-2.014552
"89484"	567.160124	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M-H"	-1.007276
"526856"	851.243824	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M-H"	-1.007276
"903564"	283.076424	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-H"	-1.007276
"50285"	584.186671	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M-2H+NH4"	16.019271
"491303"	868.270371	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M-2H+NH4"	16.019271
"870928"	300.102971	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-2H+NH4"	16.019271
"35547"	589.142066	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M-2H+Na"	20.974666
"475108"	873.225766	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M-2H+Na"	20.974666
"850358"	305.058366	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-2H+Na"	20.974666
"1625725"	305.058366	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Na-2H"	20.974666
"96174"	301.064763	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M-H+Cl"	33.962126
"535981"	443.106613	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M-H+Cl"	33.962126
"933147"	159.022913	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-H+Cl"	33.962126
"273891"	603.136802	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+Cl"	34.969402
"670686"	887.220502	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+Cl"	34.969402
"1287917"	319.053102	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Cl"	34.969402
"21279"	605.116006	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M-2H+K"	36.948606
"463026"	889.199706	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M-2H+K"	36.948606
"836458"	321.032306	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-2H+K"	36.948606
"1561039"	321.032306	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+K-2H"	36.948606
"943451"	329.081894	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-H+HCOOH"	44.998194
"366042"	613.165601	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+HCOOH-H"	44.998201
"349926"	627.181251	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+Hac-H"	59.013851
"1495477"	343.097551	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Hac-H"	59.013851
"963020"	351.063851	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-H+NaCOOH"	66.980151
"114115"	319.053102	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+2Cl"	69.938804
"556955"	461.094952	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+2Cl"	69.938804
"1029035"	177.011252	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2Cl"	69.938804
"1242417"	363.002585	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Br"	78.918885
"1311061"	365.058572	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Cl+HCOOH"	80.974872
"1327464"	387.040529	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Cl+NaCOOH"	102.956829
"916334"	397.069286	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M-H+CF3COOH"	112.985586
"1291950"	433.045964	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Cl+CF3COOH"	148.962264
"1370114"	249.071024	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H-2H2O"	-35.012676
"1393809"	267.081	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H-H2O"	-17.0027
"291672"	569.174676	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+H"	1.007276
"688837"	853.258376	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+H"	1.007276
"1364460"	285.090976	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H"	1.007276
"136614"	285.090976	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+2H"	2.014552
"570708"	427.132826	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+2H"	2.014552
"1040235"	143.049126	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2H"	2.014552
"210688"	190.396409333333	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+3H"	3.021828
"650246"	285.090976	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+3H"	3.021828
"1167280"	95.7018426666667	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+3H"	3.021828
"427274"	586.201223	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+NH4"	18.033823
"788995"	870.284923	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+NH4"	18.033823
"1683138"	302.117523	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+NH4"	18.033823
"336159"	293.6042495	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+H+NH4"	19.041099
"726758"	435.6460995	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+H+NH4"	19.041099
"1478027"	151.5623995	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H+NH4"	19.041099
"395608"	591.156618	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+Na"	22.989218
"755513"	875.240318	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+Na"	22.989218
"1606895"	307.072918	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Na"	22.989218
"315106"	296.081947	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+H+Na"	23.996494
"707282"	438.123797	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+H+Na"	23.996494
"1462073"	154.040097	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H+Na"	23.996494
"1055326"	103.029156666667	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2H+Na"	25.00377
"1258099"	317.117186	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+CH3OH+H"	33.033486
"379957"	607.130558	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+K"	38.963158
"748613"	891.214258	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+K"	38.963158
"1550666"	323.046858	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+K"	38.963158
"310030"	304.068917	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+H+K"	39.970434
"702817"	446.110767	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+H+K"	39.970434
"1454085"	162.027067	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H+K"	39.970434
"241593"	610.201226	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+ACN+H"	42.033826
"1216125"	326.117526	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+ACN+H"	42.033826
"1200372"	163.562401	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+ACN+2H"	43.041102
"192150"	613.13856	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+2Na-H"	44.97116
"634627"	897.22226	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+2Na-H"	44.97116
"1138500"	329.05486	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2Na-H"	44.97116
"181790"	307.072918	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+2Na"	45.978436
"618435"	449.114768	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+2Na"	45.978436
"1123765"	165.031068	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2Na"	45.978436
"1402184"	110.356470666667	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H+2Na"	46.985712
"1435030"	331.096446	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H+HCOOH"	47.012746
"223632"	312.10594	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+3H2O+2H"	56.04448
"1513882"	345.14849	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+IsoProp+H"	61.06479
"412474"	315.059888	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+Na+K"	61.952376
"773105"	457.101738	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+Na+K"	61.952376
"1667613"	173.018038	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Na+K"	61.952376
"255594"	632.183168	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+ACN+Na"	64.015768
"1227568"	348.099468	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+ACN+Na"	64.015768
"1714634"	348.122993	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+NH4+HCOOH"	64.039293
"1179992"	117.683784666667	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+3Na"	68.967654
"1655359"	353.078388	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Na+HCOOH"	68.994688
"167691"	645.08644	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+2K-H"	76.91904
"608344"	929.17014	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+2K-H"	76.91904
"1096137"	361.00274	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2K-H"	76.91904
"155628"	323.046858	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"2M+2K"	77.926316
"596941"	465.088708	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"3M+2K"	77.926316
"1081401"	181.005008	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2K"	77.926316
"1113516"	363.017292	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2K+H"	78.933592
"1350758"	363.104907	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+DMSO+H"	79.021207
"1016246"	367.144076	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2ACN+H"	83.060376
"1535465"	368.137708	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+IsoProp+Na+H"	84.054008
"1001914"	184.075676	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+2ACN+2H"	84.067652
"1595324"	369.052328	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+K+HCOOH"	84.968628
"1424266"	399.083838	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+H+CF3COOH"	115.000138
"1155648"	204.588951	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+3ACN+2H"	125.094202
"1705200"	416.110385	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+NH4+CF3COOH"	132.026685
"1648505"	421.06578	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+Na+CF3COOH"	136.98208
"1574314"	437.03972	"C14854"	"9-Hydroxybenzoapyrene-45-oxide;9-Hydroxybenzoapyrene-45-epoxide"	"C20H12O2"	"284.0837"	"M+K+CF3COOH"	152.95602
"815253"	575.1726	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M"	0
"982588"	556.15421	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H2O-H"	-19.01839
"76306"	382.441124	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-3H"	-3.021828
"512586"	574.165324	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-3H"	-3.021828
"889294"	190.716924	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-3H"	-3.021828
"7867"	574.165324	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H"	-2.014552
"448520"	861.751624	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H"	-2.014552
"820855"	286.579024	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H"	-2.014552
"88501"	1149.337924	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-H"	-1.007276
"525873"	1724.510524	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-H"	-1.007276
"903674"	574.165324	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H"	-1.007276
"51853"	1166.364471	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H+NH4"	16.019271
"491412"	1741.537071	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H+NH4"	16.019271
"868485"	591.191871	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H+NH4"	16.019271
"34197"	1171.319866	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H+Na"	20.974666
"473149"	1746.492466	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H+Na"	20.974666
"852291"	596.147266	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H+Na"	20.974666
"1619272"	596.147266	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na-2H"	20.974666
"95801"	592.153663	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-H+Cl"	33.962126
"535723"	879.739963	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-H+Cl"	33.962126
"934349"	304.567363	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+Cl"	33.962126
"274001"	1185.314602	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Cl"	34.969402
"667517"	1760.487202	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+Cl"	34.969402
"1285389"	610.142002	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl"	34.969402
"21386"	1187.293806	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H+K"	36.948606
"459853"	1762.466406	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H+K"	36.948606
"834378"	612.121206	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H+K"	36.948606
"1560055"	612.121206	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K-2H"	36.948606
"947939"	620.170794	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+HCOOH"	44.998194
"363235"	1195.343401	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+HCOOH-H"	44.998201
"347849"	1209.359051	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Hac-H"	59.013851
"1494860"	634.186451	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Hac-H"	59.013851
"962035"	642.152751	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+NaCOOH"	66.980151
"111672"	610.142002	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2Cl"	69.938804
"552691"	897.728302	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2Cl"	69.938804
"1023678"	322.555702	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2Cl"	69.938804
"1242527"	654.091485	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Br"	78.918885
"1311170"	656.147472	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl+HCOOH"	80.974872
"1325387"	678.129429	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl+NaCOOH"	102.956829
"916444"	688.158186	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+CF3COOH"	112.985586
"1294247"	724.134864	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl+CF3COOH"	148.962264
"1378973"	540.159924	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H-2H2O"	-35.012676
"1398014"	558.1699	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H-H2O"	-17.0027
"292875"	1151.352476	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H"	1.007276
"689678"	1726.525076	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H"	1.007276
"1363477"	576.179876	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H"	1.007276
"136727"	576.179876	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2H"	2.014552
"570818"	863.766176	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2H"	2.014552
"1040345"	288.593576	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2H"	2.014552
"210798"	384.455676	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+3H"	3.021828
"651450"	576.179876	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+3H"	3.021828
"1167390"	192.731476	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+3H"	3.021828
"427384"	1168.379023	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+NH4"	18.033823
"788742"	1743.551623	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+NH4"	18.033823
"1682520"	593.206423	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+NH4"	18.033823
"331164"	584.6931495	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H+NH4"	19.041099
"725043"	872.2794495	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H+NH4"	19.041099
"1479230"	297.1068495	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+NH4"	19.041099
"394622"	1173.334418	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Na"	22.989218
"756718"	1748.507018	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+Na"	22.989218
"1605910"	598.161818	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na"	22.989218
"315215"	587.170847	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H+Na"	23.996494
"707636"	874.757147	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H+Na"	23.996494
"1462910"	299.584547	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+Na"	23.996494
"1054343"	200.05879	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2H+Na"	25.00377
"1257066"	608.206086	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+CH3OH+H"	33.033486
"380067"	1189.308358	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+K"	38.963158
"747630"	1764.480958	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+K"	38.963158
"1549682"	614.135758	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K"	38.963158
"309046"	595.157817	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H+K"	39.970434
"702559"	882.744117	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H+K"	39.970434
"1452004"	307.571517	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+K"	39.970434
"241702"	1192.379026	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+ACN+H"	42.033826
"1214411"	617.206426	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+ACN+H"	42.033826
"1201576"	309.106851	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+ACN+2H"	43.041102
"196634"	1195.31636	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2Na-H"	44.97116
"629632"	1770.48896	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2Na-H"	44.97116
"1135330"	620.14376	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2Na-H"	44.97116
"175702"	598.161818	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2Na"	45.978436
"614531"	885.748118	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2Na"	45.978436
"1119497"	310.575518	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2Na"	45.978436
"1402654"	207.386104	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+2Na"	46.985712
"1431854"	622.185346	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+HCOOH"	47.012746
"222644"	603.19484	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+3H2O+2H"	56.04448
"1513990"	636.23739	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+IsoProp+H"	61.06479
"411122"	606.148788	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Na+K"	61.952376
"772847"	893.735088	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+Na+K"	61.952376
"1667723"	318.562488	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na+K"	61.952376
"255340"	1214.360968	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+ACN+Na"	64.015768
"1226299"	639.188368	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+ACN+Na"	64.015768
"1714380"	639.211893	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+NH4+HCOOH"	64.039293
"1181193"	214.713418	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+3Na"	68.967654
"1658749"	644.167288	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na+HCOOH"	68.994688
"169987"	1227.26424	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2K-H"	76.91904
"611007"	1802.43684	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2K-H"	76.91904
"1095883"	652.09164	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2K-H"	76.91904
"157031"	614.135758	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2K"	77.926316
"596562"	901.722058	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2K"	77.926316
"1083700"	326.549458	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2K"	77.926316
"1115538"	654.106192	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2K+H"	78.933592
"1350909"	654.193807	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+DMSO+H"	79.021207
"1017450"	658.232976	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2ACN+H"	83.060376
"1535575"	659.226608	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+IsoProp+Na+H"	84.054008
"1000933"	329.620126	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2ACN+2H"	84.067652
"1596527"	660.141228	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K+HCOOH"	84.968628
"1424376"	690.172738	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+CF3COOH"	115.000138
"1154665"	350.133401	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+3ACN+2H"	125.094202
"1707497"	707.199285	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+NH4+CF3COOH"	132.026685
"1648615"	712.15468	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na+CF3COOH"	136.98208
"1575517"	728.12862	"C14855"	"45-Dihydro-4-hydroxy-5-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K+CF3COOH"	152.95602
"813541"	575.1726	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M"	0
"985979"	556.15421	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H2O-H"	-19.01839
"76416"	382.441124	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-3H"	-3.021828
"510509"	574.165324	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-3H"	-3.021828
"888310"	190.716924	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-3H"	-3.021828
"7977"	574.165324	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H"	-2.014552
"448630"	861.751624	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H"	-2.014552
"825338"	286.579024	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H"	-2.014552
"91771"	1149.337924	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-H"	-1.007276
"528170"	1724.510524	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-H"	-1.007276
"903784"	574.165324	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H"	-1.007276
"58160"	1166.364471	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H+NH4"	16.019271
"494439"	1741.537071	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H+NH4"	16.019271
"871148"	591.191871	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H+NH4"	16.019271
"36495"	1171.319866	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H+Na"	20.974666
"477878"	1746.492466	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H+Na"	20.974666
"853494"	596.147266	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H+Na"	20.974666
"1621936"	596.147266	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na-2H"	20.974666
"99194"	592.153663	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-H+Cl"	33.962126
"537660"	879.739963	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-H+Cl"	33.962126
"933366"	304.567363	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+Cl"	33.962126
"277391"	1185.314602	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Cl"	34.969402
"670908"	1760.487202	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+Cl"	34.969402
"1286472"	610.142002	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl"	34.969402
"26964"	1187.293806	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M-2H+K"	36.948606
"464337"	1762.466406	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M-2H+K"	36.948606
"836676"	612.121206	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-2H+K"	36.948606
"1557978"	612.121206	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K-2H"	36.948606
"945860"	620.170794	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+HCOOH"	44.998194
"362615"	1195.343401	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+HCOOH-H"	44.998201
"349051"	1209.359051	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Hac-H"	59.013851
"1494970"	634.186451	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Hac-H"	59.013851
"962145"	642.152751	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+NaCOOH"	66.980151
"113241"	610.142002	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2Cl"	69.938804
"556081"	897.728302	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2Cl"	69.938804
"1027068"	322.555702	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2Cl"	69.938804
"1245554"	654.091485	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Br"	78.918885
"1312374"	656.147472	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl+HCOOH"	80.974872
"1327684"	678.129429	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl+NaCOOH"	102.956829
"924209"	688.158186	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M-H+CF3COOH"	112.985586
"1292169"	724.134864	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Cl+CF3COOH"	148.962264
"1373615"	540.159924	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H-2H2O"	-35.012676
"1397678"	558.1699	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H-H2O"	-17.0027
"294079"	1151.352476	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H"	1.007276
"687235"	1726.525076	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H"	1.007276
"1365410"	576.179876	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H"	1.007276
"137934"	576.179876	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2H"	2.014552
"576395"	863.766176	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2H"	2.014552
"1048842"	288.593576	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2H"	2.014552
"214188"	384.455676	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+3H"	3.021828
"657393"	576.179876	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+3H"	3.021828
"1174060"	192.731476	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+3H"	3.021828
"427129"	1168.379023	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+NH4"	18.033823
"791037"	1743.551623	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+NH4"	18.033823
"1685183"	593.206423	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+NH4"	18.033823
"333462"	584.6931495	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H+NH4"	19.041099
"725884"	872.2794495	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H+NH4"	19.041099
"1483714"	297.1068495	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+NH4"	19.041099
"393767"	1173.334418	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Na"	22.989218
"761202"	1748.507018	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+Na"	22.989218
"1609300"	598.161818	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na"	22.989218
"317150"	587.170847	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H+Na"	23.996494
"716132"	874.757147	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H+Na"	23.996494
"1465579"	299.584547	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+Na"	23.996494
"1053276"	200.05879	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2H+Na"	25.00377
"1258686"	608.206086	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+CH3OH+H"	33.033486
"382364"	1189.308358	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+K"	38.963158
"746646"	1764.480958	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+K"	38.963158
"1546511"	614.135758	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K"	38.963158
"305875"	595.157817	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+H+K"	39.970434
"698295"	882.744117	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+H+K"	39.970434
"1448834"	307.571517	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+K"	39.970434
"239625"	1192.379026	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+ACN+H"	42.033826
"1214522"	617.206426	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+ACN+H"	42.033826
"1199500"	309.106851	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+ACN+2H"	43.041102
"197109"	1195.31636	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2Na-H"	44.97116
"634118"	1770.48896	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2Na-H"	44.97116
"1140908"	620.14376	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2Na-H"	44.97116
"179824"	598.161818	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2Na"	45.978436
"618290"	885.748118	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2Na"	45.978436
"1122890"	310.575518	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2Na"	45.978436
"1402039"	207.386104	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+2Na"	46.985712
"1433058"	622.185346	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+HCOOH"	47.012746
"223117"	603.19484	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+3H2O+2H"	56.04448
"1518474"	636.23739	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+IsoProp+H"	61.06479
"417068"	606.148788	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+Na+K"	61.952376
"776972"	893.735088	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+Na+K"	61.952376
"1670020"	318.562488	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na+K"	61.952376
"254714"	1214.360968	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+ACN+Na"	64.015768
"1226695"	639.188368	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+ACN+Na"	64.015768
"1713310"	639.211893	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+NH4+HCOOH"	64.039293
"1180573"	214.713418	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+3Na"	68.967654
"1659954"	644.167288	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na+HCOOH"	68.994688
"165721"	1227.26424	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2K-H"	76.91904
"607467"	1802.43684	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2K-H"	76.91904
"1091983"	652.09164	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2K-H"	76.91904
"152079"	614.135758	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"2M+2K"	77.926316
"590546"	901.722058	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"3M+2K"	77.926316
"1081620"	326.549458	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2K"	77.926316
"1113736"	654.106192	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2K+H"	78.933592
"1350121"	654.193807	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+DMSO+H"	79.021207
"1015372"	658.232976	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2ACN+H"	83.060376
"1536778"	659.226608	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+IsoProp+Na+H"	84.054008
"996668"	329.620126	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+2ACN+2H"	84.067652
"1594451"	660.141228	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K+HCOOH"	84.968628
"1421205"	690.172738	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+H+CF3COOH"	115.000138
"1156962"	350.133401	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+3ACN+2H"	125.094202
"1709794"	707.199285	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+NH4+CF3COOH"	132.026685
"1645445"	712.15468	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+Na+CF3COOH"	136.98208
"1574534"	728.12862	"C14856"	"78-Dihydro-7-hydroxy-8-S-glutathionyl-benzoapyrene"	"C30H29N3O7S"	"575.1726"	"M+K+CF3COOH"	152.95602
"814744"	111.9483	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M"	0
"986088"	92.92991	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-H2O-H"	-19.01839
"76893"	73.624924	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M-3H"	-3.021828
"515723"	110.941024	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M-3H"	-3.021828
"891703"	36.308824	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-3H"	-3.021828
"9181"	110.941024	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M-2H"	-2.014552
"448741"	166.915174	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M-2H"	-2.014552
"827636"	54.966874	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-2H"	-2.014552
"92612"	222.889324	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M-H"	-1.007276
"529374"	334.837624	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M-H"	-1.007276
"906082"	110.941024	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-H"	-1.007276
"60457"	239.915871	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M-2H+NH4"	16.019271
"498924"	351.864171	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M-2H+NH4"	16.019271
"872352"	127.967571	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-2H+NH4"	16.019271
"39160"	244.871266	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M-2H+Na"	20.974666
"479813"	356.819566	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M-2H+Na"	20.974666
"858709"	132.922966	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-2H+Na"	20.974666
"1623869"	132.922966	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Na-2H"	20.974666
"99304"	128.929363	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M-H+Cl"	33.962126
"539958"	184.903513	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M-H+Cl"	33.962126
"931289"	72.955213	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-H+Cl"	33.962126
"274220"	258.866002	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+Cl"	34.969402
"669923"	370.814302	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+Cl"	34.969402
"1283423"	146.917702	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Cl"	34.969402
"21607"	260.845206	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M-2H+K"	36.948606
"463353"	372.793506	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M-2H+K"	36.948606
"835692"	148.896906	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-2H+K"	36.948606
"1559180"	148.896906	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+K-2H"	36.948606
"950343"	156.946494	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-H+HCOOH"	44.998194
"367466"	268.894801	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+HCOOH-H"	44.998201
"355722"	282.910451	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+Hac-H"	59.013851
"1496537"	170.962151	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Hac-H"	59.013851
"967358"	178.928451	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-H+NaCOOH"	66.980151
"116631"	146.917702	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+2Cl"	69.938804
"556192"	202.891852	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+2Cl"	69.938804
"1030459"	90.943552	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2Cl"	69.938804
"1244571"	190.867185	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Br"	78.918885
"1312484"	192.923172	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Cl+HCOOH"	80.974872
"1328887"	214.905129	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Cl+NaCOOH"	102.956829
"919945"	224.933886	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M-H+CF3COOH"	112.985586
"1293373"	260.910564	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Cl+CF3COOH"	148.962264
"1372632"	76.935624	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H-2H2O"	-35.012676
"1393410"	94.9456	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H-H2O"	-17.0027
"286534"	224.903876	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+H"	1.007276
"689172"	336.852176	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+H"	1.007276
"1365520"	112.955576	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H"	1.007276
"138407"	112.955576	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+2H"	2.014552
"578693"	168.929726	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+2H"	2.014552
"1049678"	56.981426	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2H"	2.014552
"214298"	75.639476	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+3H"	3.021828
"658595"	112.955576	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+3H"	3.021828
"1171983"	38.323376	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+3H"	3.021828
"427239"	241.930423	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+NH4"	18.033823
"791876"	353.878723	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+NH4"	18.033823
"1687115"	129.982123	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+NH4"	18.033823
"333935"	121.4688495	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+H+NH4"	19.041099
"726721"	177.4429995	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+H+NH4"	19.041099
"1479087"	65.4946995	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H+NH4"	19.041099
"394850"	246.885818	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+Na"	22.989218
"760219"	358.834118	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+Na"	22.989218
"1610505"	134.937518	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Na"	22.989218
"319447"	123.946547	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+H+Na"	23.996494
"708590"	179.920697	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+H+Na"	23.996494
"1463502"	67.972397	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H+Na"	23.996494
"1053463"	45.65069	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2H+Na"	25.00377
"1257332"	144.981786	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+CH3OH+H"	33.033486
"380652"	262.859758	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+K"	38.963158
"747845"	374.808058	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+K"	38.963158
"1545529"	150.911458	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+K"	38.963158
"303799"	131.933517	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+H+K"	39.970434
"700592"	187.907667	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+H+K"	39.970434
"1450037"	75.959367	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H+K"	39.970434
"239735"	265.930426	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+ACN+H"	42.033826
"1212077"	153.982126	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+ACN+H"	42.033826
"1199608"	77.494701	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+ACN+2H"	43.041102
"197948"	268.86776	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+2Na-H"	44.97116
"635323"	380.81606	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+2Na-H"	44.97116
"1135551"	156.91946	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2Na-H"	44.97116
"179934"	134.937518	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+2Na"	45.978436
"621681"	190.911668	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+2Na"	45.978436
"1122999"	78.963368	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2Na"	45.978436
"1402149"	52.978004	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H+2Na"	46.985712
"1438640"	158.961046	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H+HCOOH"	47.012746
"221769"	139.97054	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+3H2O+2H"	56.04448
"1517492"	173.01309	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+IsoProp+H"	61.06479
"418272"	142.924488	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+Na+K"	61.952376
"780361"	198.898638	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+Na+K"	61.952376
"1668305"	86.950338	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Na+K"	61.952376
"253367"	287.912368	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+ACN+Na"	64.015768
"1226805"	175.964068	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+ACN+Na"	64.015768
"1713178"	175.987593	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+NH4+HCOOH"	64.039293
"1180319"	60.305318	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+3Na"	68.967654
"1662250"	180.942988	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Na+HCOOH"	68.994688
"162551"	300.81564	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+2K-H"	76.91904
"608670"	412.76394	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+2K-H"	76.91904
"1094279"	188.86734	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2K-H"	76.91904
"152187"	150.911458	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"2M+2K"	77.926316
"591748"	206.885608	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"3M+2K"	77.926316
"1081730"	94.937308	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2K"	77.926316
"1114944"	190.881892	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2K+H"	78.933592
"1348044"	190.969507	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+DMSO+H"	79.021207
"1016576"	195.008676	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2ACN+H"	83.060376
"1532514"	196.002308	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+IsoProp+Na+H"	84.054008
"1001152"	98.007976	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+2ACN+2H"	84.067652
"1596748"	196.916928	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+K+HCOOH"	84.968628
"1425689"	226.948438	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+H+CF3COOH"	115.000138
"1155978"	118.521251	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+3ACN+2H"	125.094202
"1709904"	243.974985	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+NH4+CF3COOH"	132.026685
"1643368"	248.93038	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+Na+CF3COOH"	136.98208
"1574644"	264.90432	"C14857"	"11-Dichloroethylene epoxide;22-Dichlorooxirane"	"C2H2Cl2O"	"111.9483"	"M+K+CF3COOH"	152.95602
"816519"	111.9483	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M"	0
"986198"	92.92991	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-H2O-H"	-19.01839
"78527"	73.624924	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M-3H"	-3.021828
"518222"	110.941024	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M-3H"	-3.021828
"891813"	36.308824	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-3H"	-3.021828
"11477"	110.941024	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M-2H"	-2.014552
"449944"	166.915174	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M-2H"	-2.014552
"829933"	54.966874	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-2H"	-2.014552
"94022"	222.889324	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M-H"	-1.007276
"529484"	334.837624	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M-H"	-1.007276
"907285"	110.941024	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-H"	-1.007276
"60566"	239.915871	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M-2H+NH4"	16.019271
"494660"	351.864171	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M-2H+NH4"	16.019271
"871367"	127.967571	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-2H+NH4"	16.019271
"39269"	244.871266	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M-2H+Na"	20.974666
"483202"	356.819566	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M-2H+Na"	20.974666
"859912"	132.922966	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-2H+Na"	20.974666
"1623979"	132.922966	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Na-2H"	20.974666
"99414"	128.929363	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M-H+Cl"	33.962126
"540068"	184.903513	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M-H+Cl"	33.962126
"933584"	72.955213	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-H+Cl"	33.962126
"274330"	258.866002	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+Cl"	34.969402
"667846"	370.814302	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+Cl"	34.969402
"1281344"	146.917702	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Cl"	34.969402
"28277"	260.845206	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M-2H+K"	36.948606
"465649"	372.793506	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M-2H+K"	36.948606
"835802"	148.896906	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-2H+K"	36.948606
"1560383"	148.896906	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+K-2H"	36.948606
"949360"	156.946494	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-H+HCOOH"	44.998194
"368669"	268.894801	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+HCOOH-H"	44.998201
"356925"	282.910451	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+Hac-H"	59.013851
"1497740"	170.962151	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Hac-H"	59.013851
"967832"	178.928451	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-H+NaCOOH"	66.980151
"116741"	146.917702	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+2Cl"	69.938804
"557395"	202.891852	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+2Cl"	69.938804
"1031662"	90.943552	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2Cl"	69.938804
"1247961"	190.867185	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Br"	78.918885
"1318426"	192.923172	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Cl+HCOOH"	80.974872
"1331184"	214.905129	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Cl+NaCOOH"	102.956829
"925890"	224.933886	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M-H+CF3COOH"	112.985586
"1298951"	260.910564	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Cl+CF3COOH"	148.962264
"1380031"	76.935624	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H-2H2O"	-35.012676
"1395706"	94.9456	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H-H2O"	-17.0027
"289923"	224.903876	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+H"	1.007276
"689644"	336.852176	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+H"	1.007276
"1366357"	112.955576	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H"	1.007276
"138517"	112.955576	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+2H"	2.014552
"578440"	168.929726	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+2H"	2.014552
"1049426"	56.981426	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2H"	2.014552
"217688"	75.639476	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+3H"	3.021828
"657977"	112.955576	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+3H"	3.021828
"1172093"	38.323376	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+3H"	3.021828
"430995"	241.930423	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+NH4"	18.033823
"791988"	353.878723	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+NH4"	18.033823
"1687225"	129.982123	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+NH4"	18.033823
"335505"	121.4688495	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+H+NH4"	19.041099
"726469"	177.4429995	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+H+NH4"	19.041099
"1482841"	65.4946995	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H+NH4"	19.041099
"396052"	246.885818	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+Na"	22.989218
"763610"	358.834118	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+Na"	22.989218
"1615718"	134.937518	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Na"	22.989218
"326847"	123.946547	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+H+Na"	23.996494
"716353"	179.920697	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+H+Na"	23.996494
"1467987"	67.972397	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H+Na"	23.996494
"1054551"	45.65069	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2H+Na"	25.00377
"1257805"	144.981786	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+CH3OH+H"	33.033486
"379668"	262.859758	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+K"	38.963158
"745768"	374.808058	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+K"	38.963158
"1546730"	150.911458	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+K"	38.963158
"303907"	131.933517	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+H+K"	39.970434
"695598"	187.907667	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+H+K"	39.970434
"1452334"	75.959367	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H+K"	39.970434
"242032"	265.930426	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+ACN+H"	42.033826
"1213280"	153.982126	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+ACN+H"	42.033826
"1197895"	77.494701	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+ACN+2H"	43.041102
"199151"	268.86776	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+2Na-H"	44.97116
"636526"	380.81606	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+2Na-H"	44.97116
"1136754"	156.91946	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2Na-H"	44.97116
"182230"	134.937518	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+2Na"	45.978436
"621791"	190.911668	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+2Na"	45.978436
"1120922"	78.963368	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2Na"	45.978436
"1400066"	52.978004	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H+2Na"	46.985712
"1435470"	158.961046	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H+HCOOH"	47.012746
"222245"	139.97054	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+3H2O+2H"	56.04448
"1518695"	173.01309	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+IsoProp+H"	61.06479
"419475"	142.924488	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+Na+K"	61.952376
"778284"	198.898638	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+Na+K"	61.952376
"1666959"	86.950338	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Na+K"	61.952376
"253480"	287.912368	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+ACN+Na"	64.015768
"1228736"	175.964068	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+ACN+Na"	64.015768
"1713247"	175.987593	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+NH4+HCOOH"	64.039293
"1180430"	60.305318	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+3Na"	68.967654
"1664061"	180.942988	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Na+HCOOH"	68.994688
"164847"	300.81564	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+2K-H"	76.91904
"609873"	412.76394	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+2K-H"	76.91904
"1093295"	188.86734	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2K-H"	76.91904
"147923"	150.911458	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"2M+2K"	77.926316
"588577"	206.885608	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"3M+2K"	77.926316
"1080745"	94.937308	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2K"	77.926316
"1113956"	190.881892	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2K+H"	78.933592
"1345966"	190.969507	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+DMSO+H"	79.021207
"1015589"	195.008676	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2ACN+H"	83.060376
"1534810"	196.002308	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+IsoProp+Na+H"	84.054008
"1000164"	98.007976	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+2ACN+2H"	84.067652
"1596858"	196.916928	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+K+HCOOH"	84.968628
"1424706"	226.948438	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+H+CF3COOH"	115.000138
"1156089"	118.521251	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+3ACN+2H"	125.094202
"1710014"	243.974985	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+NH4+CF3COOH"	132.026685
"1645665"	248.93038	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+Na+CF3COOH"	136.98208
"1574754"	264.90432	"C14858"	"22-Dichloroacetaldehyde"	"C2H2Cl2O"	"111.9483"	"M+K+CF3COOH"	152.95602
"816057"	111.9483	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M"	0
"985215"	92.92991	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-H2O-H"	-19.01839
"77108"	73.624924	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M-3H"	-3.021828
"517399"	110.941024	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M-3H"	-3.021828
"888642"	36.308824	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-3H"	-3.021828
"11587"	110.941024	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M-2H"	-2.014552
"452241"	166.915174	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M-2H"	-2.014552
"827856"	54.966874	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-2H"	-2.014552
"93764"	222.889324	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M-H"	-1.007276
"532633"	334.837624	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M-H"	-1.007276
"911255"	110.941024	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-H"	-1.007276
"61894"	239.915871	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M-2H+NH4"	16.019271
"500237"	351.864171	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M-2H+NH4"	16.019271
"874759"	127.967571	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-2H+NH4"	16.019271
"41567"	244.871266	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M-2H+Na"	20.974666
"483314"	356.819566	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M-2H+Na"	20.974666
"853462"	132.922966	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-2H+Na"	20.974666
"1627370"	132.922966	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Na-2H"	20.974666
"99524"	128.929363	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M-H+Cl"	33.962126
"540178"	184.903513	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M-H+Cl"	33.962126
"938069"	72.955213	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-H+Cl"	33.962126
"281489"	258.866002	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+Cl"	34.969402
"670872"	370.814302	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+Cl"	34.969402
"1283641"	146.917702	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Cl"	34.969402
"31239"	260.845206	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M-2H+K"	36.948606
"466853"	372.793506	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M-2H+K"	36.948606
"838099"	148.896906	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-2H+K"	36.948606
"1561587"	148.896906	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+K-2H"	36.948606
"953844"	156.946494	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-H+HCOOH"	44.998194
"368780"	268.894801	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+HCOOH-H"	44.998201
"354849"	282.910451	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+Hac-H"	59.013851
"1500402"	170.962151	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Hac-H"	59.013851
"967943"	178.928451	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-H+NaCOOH"	66.980151
"119038"	146.917702	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+2Cl"	69.938804
"560786"	202.891852	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+2Cl"	69.938804
"1031771"	90.943552	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2Cl"	69.938804
"1253538"	190.867185	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Br"	78.918885
"1315984"	192.923172	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Cl+HCOOH"	80.974872
"1330200"	214.905129	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Cl+NaCOOH"	102.956829
"923446"	224.933886	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M-H+CF3COOH"	112.985586
"1302707"	260.910564	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Cl+CF3COOH"	148.962264
"1379411"	76.935624	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H-2H2O"	-35.012676
"1396908"	94.9456	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H-H2O"	-17.0027
"291127"	224.903876	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+H"	1.007276
"690482"	336.852176	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+H"	1.007276
"1363913"	112.955576	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H"	1.007276
"140936"	112.955576	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+2H"	2.014552
"576725"	168.929726	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+2H"	2.014552
"1050628"	56.981426	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2H"	2.014552
"214518"	75.639476	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+3H"	3.021828
"658086"	112.955576	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+3H"	3.021828
"1174390"	38.323376	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+3H"	3.021828
"433291"	241.930423	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+NH4"	18.033823
"794285"	353.878723	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+NH4"	18.033823
"1692804"	129.982123	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+NH4"	18.033823
"341080"	121.4688495	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+H+NH4"	19.041099
"730224"	177.4429995	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+H+NH4"	19.041099
"1490605"	65.4946995	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H+NH4"	19.041099
"408322"	246.885818	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+Na"	22.989218
"762625"	358.834118	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+Na"	22.989218
"1614004"	134.937518	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Na"	22.989218
"324041"	123.946547	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+H+Na"	23.996494
"716463"	179.920697	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+H+Na"	23.996494
"1465910"	67.972397	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H+Na"	23.996494
"1053204"	45.65069	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2H+Na"	25.00377
"1257550"	144.981786	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+CH3OH+H"	33.033486
"379778"	262.859758	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+K"	38.963158
"748065"	374.808058	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+K"	38.963158
"1543560"	150.911458	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+K"	38.963158
"305110"	131.933517	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+H+K"	39.970434
"697531"	187.907667	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+H+K"	39.970434
"1453537"	75.959367	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H+K"	39.970434
"243236"	265.930426	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+ACN+H"	42.033826
"1217037"	153.982126	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+ACN+H"	42.033826
"1200922"	77.494701	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+ACN+2H"	43.041102
"198169"	268.86776	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+2Na-H"	44.97116
"639916"	380.81606	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+2Na-H"	44.97116
"1140144"	156.91946	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2Na-H"	44.97116
"180153"	134.937518	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+2Na"	45.978436
"622994"	190.911668	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+2Na"	45.978436
"1118116"	78.963368	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2Na"	45.978436
"1401998"	52.978004	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H+2Na"	46.985712
"1438860"	158.961046	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H+HCOOH"	47.012746
"223450"	139.97054	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+3H2O+2H"	56.04448
"1515524"	173.01309	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+IsoProp+H"	61.06479
"421772"	142.924488	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+Na+K"	61.952376
"779487"	198.898638	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+Na+K"	61.952376
"1670351"	86.950338	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Na+K"	61.952376
"253591"	287.912368	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+ACN+Na"	64.015768
"1229579"	175.964068	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+ACN+Na"	64.015768
"1715182"	175.987593	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+NH4+HCOOH"	64.039293
"1182729"	60.305318	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+3Na"	68.967654
"1664535"	180.942988	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Na+HCOOH"	68.994688
"168237"	300.81564	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+2K-H"	76.91904
"609983"	412.76394	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+2K-H"	76.91904
"1096686"	188.86734	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2K-H"	76.91904
"148033"	150.911458	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"2M+2K"	77.926316
"588687"	206.885608	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"3M+2K"	77.926316
"1079763"	94.937308	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2K"	77.926316
"1115517"	190.881892	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2K+H"	78.933592
"1346077"	190.969507	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+DMSO+H"	79.021207
"1017885"	195.008676	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2ACN+H"	83.060376
"1536012"	196.002308	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+IsoProp+Na+H"	84.054008
"999181"	98.007976	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+2ACN+2H"	84.067652
"1599154"	196.916928	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+K+HCOOH"	84.968628
"1424815"	226.948438	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+H+CF3COOH"	115.000138
"1156197"	118.521251	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+3ACN+2H"	125.094202
"1707937"	243.974985	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+NH4+CF3COOH"	132.026685
"1649055"	248.93038	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+Na+CF3COOH"	136.98208
"1574864"	264.90432	"C14859"	"Chloroacetyl chloride"	"C2H2Cl2O"	"111.9483"	"M+K+CF3COOH"	152.95602
"816870"	129.9588	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M"	0
"985325"	110.94041	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-H2O-H"	-19.01839
"77869"	85.631924	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M-3H"	-3.021828
"516052"	128.951524	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M-3H"	-3.021828
"886562"	42.312324	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-3H"	-3.021828
"9512"	128.951524	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M-2H"	-2.014552
"453445"	193.930924	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M-2H"	-2.014552
"830881"	63.972124	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-2H"	-2.014552
"93428"	258.910324	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M-H"	-1.007276
"530799"	388.869124	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M-H"	-1.007276
"905321"	128.951524	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-H"	-1.007276
"56413"	275.936871	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M-2H+NH4"	16.019271
"500347"	405.895671	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M-2H+NH4"	16.019271
"873777"	145.978071	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-2H+NH4"	16.019271
"42771"	280.892266	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M-2H+Na"	20.974666
"483425"	410.851066	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M-2H+Na"	20.974666
"857948"	150.933466	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-2H+Na"	20.974666
"1630762"	150.933466	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Na-2H"	20.974666
"106196"	146.939863	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M-H+Cl"	33.962126
"544665"	211.919263	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M-H+Cl"	33.962126
"939273"	81.960463	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-H+Cl"	33.962126
"281842"	294.887002	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+Cl"	34.969402
"674262"	424.845802	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+Cl"	34.969402
"1284845"	164.928202	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Cl"	34.969402
"28134"	296.866206	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M-2H+K"	36.948606
"468788"	426.825006	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M-2H+K"	36.948606
"838208"	166.907406	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-2H+K"	36.948606
"1562792"	166.907406	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+K-2H"	36.948606
"951403"	174.956994	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-H+HCOOH"	44.998194
"367794"	304.915801	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+HCOOH-H"	44.998201
"356053"	318.931451	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+Hac-H"	59.013851
"1502698"	188.972651	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Hac-H"	59.013851
"967688"	196.938951	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-H+NaCOOH"	66.980151
"118054"	164.928202	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+2Cl"	69.938804
"559801"	229.907602	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+2Cl"	69.938804
"1031881"	99.948802	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2Cl"	69.938804
"1253649"	208.877685	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Br"	78.918885
"1315004"	210.933672	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Cl+HCOOH"	80.974872
"1332498"	232.915629	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Cl+NaCOOH"	102.956829
"921371"	242.944386	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M-H+CF3COOH"	112.985586
"1298077"	278.921064	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Cl+CF3COOH"	148.962264
"1378427"	94.946124	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H-2H2O"	-35.012676
"1396657"	112.9561	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H-H2O"	-17.0027
"291237"	260.924876	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+H"	1.007276
"688037"	390.883676	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+H"	1.007276
"1362567"	130.966076	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H"	1.007276
"139465"	130.966076	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+2H"	2.014552
"577203"	195.945476	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+2H"	2.014552
"1049280"	65.986676	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2H"	2.014552
"214628"	87.646476	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+3H"	3.021828
"655280"	130.966076	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+3H"	3.021828
"1174504"	44.326876	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+3H"	3.021828
"429027"	277.951423	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+NH4"	18.033823
"793302"	407.910223	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+NH4"	18.033823
"1688540"	147.992623	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+NH4"	18.033823
"335724"	139.4793495	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+H+NH4"	19.041099
"733614"	204.4587495	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+H+NH4"	19.041099
"1488528"	74.4999495	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H+NH4"	19.041099
"408181"	282.906818	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+Na"	22.989218
"758361"	412.865618	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+Na"	22.989218
"1615207"	152.948018	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Na"	22.989218
"321965"	141.957047	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+H+Na"	23.996494
"714386"	206.936447	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+H+Na"	23.996494
"1461478"	76.977647	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H+Na"	23.996494
"1052830"	51.65419	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2H+Na"	25.00377
"1260949"	162.992286	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+CH3OH+H"	33.033486
"384992"	298.880758	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+K"	38.963158
"743801"	428.839558	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+K"	38.963158
"1543670"	168.921958	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+K"	38.963158
"305222"	149.944017	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+H+K"	39.970434
"698735"	214.923417	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+H+K"	39.970434
"1451461"	84.964617	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H+K"	39.970434
"241160"	301.951426	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+ACN+H"	42.033826
"1214962"	171.992626	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+ACN+H"	42.033826
"1202126"	86.499951	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+ACN+2H"	43.041102
"193905"	304.88876	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+2Na-H"	44.97116
"637840"	434.84756	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+2Na-H"	44.97116
"1138065"	174.92996	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2Na-H"	44.97116
"180262"	152.948018	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+2Na"	45.978436
"622011"	217.927418	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+2Na"	45.978436
"1117862"	87.968618	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2Na"	45.978436
"1401015"	58.981504	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H+2Na"	46.985712
"1431314"	176.971546	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H+HCOOH"	47.012746
"222466"	157.98104	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+3H2O+2H"	56.04448
"1511259"	191.02359	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+IsoProp+H"	61.06479
"414227"	160.934988	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+Na+K"	61.952376
"779597"	225.914388	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+Na+K"	61.952376
"1671557"	95.955588	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Na+K"	61.952376
"253701"	323.933368	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+ACN+Na"	64.015768
"1231876"	193.974568	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+ACN+Na"	64.015768
"1714685"	193.998093	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+NH4+HCOOH"	64.039293
"1182839"	66.308818	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+3Na"	68.967654
"1665377"	198.953488	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Na+HCOOH"	68.994688
"168348"	336.83664	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+2K-H"	76.91904
"606818"	466.79544	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+2K-H"	76.91904
"1097889"	206.87784	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2K-H"	76.91904
"154703"	168.921958	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"2M+2K"	77.926316
"596088"	233.901358	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"3M+2K"	77.926316
"1082060"	103.942558	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2K"	77.926316
"1115562"	208.892392	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2K+H"	78.933592
"1347281"	208.980007	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+DMSO+H"	79.021207
"1019091"	213.019176	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2ACN+H"	83.060376
"1536124"	214.012808	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+IsoProp+Na+H"	84.054008
"1005573"	107.013226	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+2ACN+2H"	84.067652
"1600359"	214.927428	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+K+HCOOH"	84.968628
"1423834"	244.958938	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+H+CF3COOH"	115.000138
"1154122"	127.526501	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+3ACN+2H"	125.094202
"1705861"	261.985485	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+NH4+CF3COOH"	132.026685
"1649655"	266.94088	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+Na+CF3COOH"	136.98208
"1574974"	282.91482	"C14860"	"22-Dichloro-11-ethanediol"	"C2H4Cl2O2"	"129.9588"	"M+K+CF3COOH"	152.95602
"810808"	419.0321	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M"	0
"984342"	400.01371	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-H2O-H"	-19.01839
"76599"	278.347457333333	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M-3H"	-3.021828
"513246"	418.024824	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M-3H"	-3.021828
"881205"	138.670090666667	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-3H"	-3.021828
"5248"	418.024824	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M-2H"	-2.014552
"444808"	627.540874	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M-2H"	-2.014552
"828075"	208.508774	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-2H"	-2.014552
"92441"	837.056924	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M-H"	-1.007276
"527629"	1256.089024	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M-H"	-1.007276
"902151"	418.024824	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-H"	-1.007276
"53243"	854.083471	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M-2H+NH4"	16.019271
"500457"	1273.115571	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M-2H+NH4"	16.019271
"870607"	435.051371	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-2H+NH4"	16.019271
"42881"	859.038866	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M-2H+Na"	20.974666
"480254"	1278.070966	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M-2H+Na"	20.974666
"851861"	440.006766	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-2H+Na"	20.974666
"1626497"	440.006766	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Na-2H"	20.974666
"97559"	436.013163	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M-H+Cl"	33.962126
"541495"	645.529213	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M-H+Cl"	33.962126
"932822"	226.497113	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-H+Cl"	33.962126
"273565"	873.033602	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+Cl"	34.969402
"668176"	1292.065702	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+Cl"	34.969402
"1283862"	454.001502	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Cl"	34.969402
"25328"	875.012806	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M-2H+K"	36.948606
"465982"	1294.044906	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M-2H+K"	36.948606
"835766"	455.980706	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-2H+K"	36.948606
"1562901"	455.980706	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+K-2H"	36.948606
"947503"	464.030294	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-H+HCOOH"	44.998194
"365717"	883.062401	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+HCOOH-H"	44.998201
"352882"	897.078051	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+Hac-H"	59.013851
"1501714"	478.045951	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Hac-H"	59.013851
"965975"	486.012251	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-H+NaCOOH"	66.980151
"117070"	454.001502	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+2Cl"	69.938804
"559911"	663.517552	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+2Cl"	69.938804
"1031991"	244.485452	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2Cl"	69.938804
"1253759"	497.950985	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Br"	78.918885
"1311833"	500.006972	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Cl+HCOOH"	80.974872
"1330421"	521.988929	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Cl+NaCOOH"	102.956829
"923304"	532.017686	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M-H+CF3COOH"	112.985586
"1299281"	567.994364	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Cl+CF3COOH"	148.962264
"1377444"	384.019424	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H-2H2O"	-35.012676
"1393848"	402.0294	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H-H2O"	-17.0027
"291347"	839.071476	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+H"	1.007276
"685959"	1258.103576	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+H"	1.007276
"1362309"	420.039376	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H"	1.007276
"139211"	420.039376	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+2H"	2.014552
"576582"	629.555426	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+2H"	2.014552
"1046837"	210.523326	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2H"	2.014552
"214738"	280.362009333333	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+3H"	3.021828
"653204"	420.039376	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+3H"	3.021828
"1168054"	140.684642666667	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+3H"	3.021828
"425856"	856.098023	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+NH4"	18.033823
"788307"	1275.130123	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+NH4"	18.033823
"1683182"	437.065923	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+NH4"	18.033823
"330446"	428.5526495	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+H+NH4"	19.041099
"724977"	638.0686995	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+H+NH4"	19.041099
"1477824"	219.0365995	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H+NH4"	19.041099
"398569"	861.053418	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+Na"	22.989218
"754538"	1280.085518	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+Na"	22.989218
"1603411"	442.021318	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Na"	22.989218
"316606"	431.030347	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+H+Na"	23.996494
"707569"	640.546397	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+H+Na"	23.996494
"1463211"	221.514297	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H+Na"	23.996494
"1052848"	148.011956666667	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2H+Na"	25.00377
"1257280"	452.065586	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+CH3OH+H"	33.033486
"381822"	877.027358	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+K"	38.963158
"742818"	1296.059458	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+K"	38.963158
"1540863"	457.995258	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+K"	38.963158
"300591"	439.017317	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+H+K"	39.970434
"695928"	648.533367	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+H+K"	39.970434
"1450477"	229.501267	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H+K"	39.970434
"237620"	880.098026	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+ACN+H"	42.033826
"1210932"	461.065926	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+ACN+H"	42.033826
"1199318"	231.036601	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+ACN+2H"	43.041102
"195106"	883.03536	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+2Na-H"	44.97116
"632113"	1302.06746	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+2Na-H"	44.97116
"1138175"	464.00326	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2Na-H"	44.97116
"177092"	442.021318	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+2Na"	45.978436
"621028"	651.537368	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+2Na"	45.978436
"1116876"	232.505268	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2Na"	45.978436
"1399302"	155.339270666667	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H+2Na"	46.985712
"1430046"	466.044846	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H+HCOOH"	47.012746
"220752"	447.05434	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+3H2O+2H"	56.04448
"1510276"	480.09689	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+IsoProp+H"	61.06479
"414337"	450.008288	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+Na+K"	61.952376
"770595"	659.524338	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+Na+K"	61.952376
"1670574"	240.492238	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Na+K"	61.952376
"252712"	902.079968	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+ACN+Na"	64.015768
"1226880"	483.047868	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+ACN+Na"	64.015768
"1712871"	483.071393	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+NH4+HCOOH"	64.039293
"1178615"	162.666584666667	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+3Na"	68.967654
"1664876"	488.026788	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Na+HCOOH"	68.994688
"162991"	914.98324	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+2K-H"	76.91904
"609113"	1334.01534	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+2K-H"	76.91904
"1095812"	495.95114	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2K-H"	76.91904
"153720"	457.995258	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"2M+2K"	77.926316
"593281"	667.511308	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"3M+2K"	77.926316
"1081077"	248.479208	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2K"	77.926316
"1111006"	497.965692	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2K+H"	78.933592
"1346298"	498.053307	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+DMSO+H"	79.021207
"1017014"	502.092476	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2ACN+H"	83.060376
"1535141"	503.086108	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+IsoProp+Na+H"	84.054008
"1004994"	251.549876	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+2ACN+2H"	84.067652
"1596095"	504.000728	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+K+HCOOH"	84.968628
"1417383"	534.032238	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+H+CF3COOH"	115.000138
"1150952"	272.063151	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+3ACN+2H"	125.094202
"1703784"	551.058785	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+NH4+CF3COOH"	132.026685
"1644902"	556.01418	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+Na+CF3COOH"	136.98208
"1575084"	571.98812	"C14861"	"S-(22-Dichloro-1-hydroxy)ethyl glutathione"	"C12H19Cl2N3O7S"	"419.0321"	"M+K+CF3COOH"	152.95602
"810918"	365.0893	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M"	0
"984452"	346.07091	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-H2O-H"	-19.01839
"73793"	242.385590666667	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M-3H"	-3.021828
"511168"	364.082024	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M-3H"	-3.021828
"881315"	120.689157333333	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-3H"	-3.021828
"4265"	364.082024	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M-2H"	-2.014552
"444917"	546.626674	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M-2H"	-2.014552
"821624"	181.537374	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-2H"	-2.014552
"89270"	729.171324	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M-H"	-1.007276
"527738"	1094.260624	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M-H"	-1.007276
"905540"	364.082024	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-H"	-1.007276
"53352"	746.197871	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M-2H+NH4"	16.019271
"490726"	1111.287171	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M-2H+NH4"	16.019271
"870716"	381.108571	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-2H+NH4"	16.019271
"42991"	751.153266	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M-2H+Na"	20.974666
"481458"	1116.242566	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M-2H+Na"	20.974666
"853794"	386.063966	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-2H+Na"	20.974666
"1626608"	386.063966	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Na-2H"	20.974666
"99856"	382.070363	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M-H+Cl"	33.962126
"540512"	564.615013	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M-H+Cl"	33.962126
"932932"	199.525713	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-H+Cl"	33.962126
"273675"	765.148002	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+Cl"	34.969402
"671566"	1130.237302	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+Cl"	34.969402
"1284701"	400.058702	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Cl"	34.969402
"26531"	767.127206	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M-2H+K"	36.948606
"468279"	1132.216506	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M-2H+K"	36.948606
"835146"	402.037906	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-2H+K"	36.948606
"1563011"	402.037906	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+K-2H"	36.948606
"946516"	410.087494	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-H+HCOOH"	44.998194
"365828"	775.176801	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+HCOOH-H"	44.998201
"354085"	789.192451	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+Hac-H"	59.013851
"1501460"	424.103151	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Hac-H"	59.013851
"964992"	432.069451	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-H+NaCOOH"	66.980151
"118274"	400.058702	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+2Cl"	69.938804
"556741"	582.603352	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+2Cl"	69.938804
"1032101"	217.514052	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2Cl"	69.938804
"1254965"	444.008185	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Br"	78.918885
"1314130"	446.064172	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Cl+HCOOH"	80.974872
"1330531"	468.046129	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Cl+NaCOOH"	102.956829
"922686"	478.074886	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M-H+CF3COOH"	112.985586
"1298300"	514.051564	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Cl+CF3COOH"	148.962264
"1376460"	330.076624	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H-2H2O"	-35.012676
"1393230"	348.0866	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H-H2O"	-17.0027
"291457"	731.185876	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+H"	1.007276
"687162"	1096.275176	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+H"	1.007276
"1362419"	366.096576	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H"	1.007276
"138956"	366.096576	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+2H"	2.014552
"577056"	548.641226	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+2H"	2.014552
"1046947"	183.551926	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2H"	2.014552
"211568"	244.400142666667	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+3H"	3.021828
"651127"	366.096576	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+3H"	3.021828
"1171444"	122.703709333333	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+3H"	3.021828
"425602"	748.212423	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+NH4"	18.033823
"788053"	1113.301723	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+NH4"	18.033823
"1683656"	383.123123	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+NH4"	18.033823
"332663"	374.6098495	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+H+NH4"	19.041099
"725082"	557.1544995	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+H+NH4"	19.041099
"1479026"	192.0651995	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H+NH4"	19.041099
"397585"	753.167818	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+Na"	22.989218
"755662"	1118.257118	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+Na"	22.989218
"1602823"	388.078518	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Na"	22.989218
"314526"	377.087547	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+H+Na"	23.996494
"716792"	559.632197	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+H+Na"	23.996494
"1461698"	194.542897	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H+Na"	23.996494
"1053281"	130.031023333333	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2H+Na"	25.00377
"1258119"	398.122786	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+CH3OH+H"	33.033486
"377338"	769.141758	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+K"	38.963158
"742927"	1134.231058	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+K"	38.963158
"1543160"	404.052458	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+K"	38.963158
"301429"	385.074517	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+H+K"	39.970434
"695309"	567.619167	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+H+K"	39.970434
"1447668"	202.529867	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H+K"	39.970434
"237730"	772.212426	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+ACN+H"	42.033826
"1212262"	407.123126	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+ACN+H"	42.033826
"1199063"	204.065201	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+ACN+2H"	43.041102
"194123"	775.14976	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+2Na-H"	44.97116
"629669"	1140.23906	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+2Na-H"	44.97116
"1132813"	410.06046	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2Na-H"	44.97116
"176105"	388.078518	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+2Na"	45.978436
"621137"	570.623168	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+2Na"	45.978436
"1118082"	205.533868	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2Na"	45.978436
"1400139"	137.358337333333	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H+2Na"	46.985712
"1430189"	412.102046	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H+HCOOH"	47.012746
"221222"	393.11154	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+3H2O+2H"	56.04448
"1508925"	426.15409	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+IsoProp+H"	61.06479
"409216"	396.065488	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+Na+K"	61.952376
"771432"	578.610138	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+Na+K"	61.952376
"1666668"	213.520838	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Na+K"	61.952376
"253186"	794.194368	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+ACN+Na"	64.015768
"1225888"	429.105068	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+ACN+Na"	64.015768
"1713028"	429.128593	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+NH4+HCOOH"	64.039293
"1178866"	144.685651333333	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+3Na"	68.967654
"1662800"	434.083988	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Na+HCOOH"	68.994688
"162008"	807.09764	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+2K-H"	76.91904
"609223"	1172.18694	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+2K-H"	76.91904
"1093735"	442.00834	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2K-H"	76.91904
"153830"	404.052458	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"2M+2K"	77.926316
"595457"	586.597108	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"3M+2K"	77.926316
"1080093"	221.507808	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2K"	77.926316
"1111116"	444.022892	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2K+H"	78.933592
"1346408"	444.110507	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+DMSO+H"	79.021207
"1019311"	448.149676	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2ACN+H"	83.060376
"1533064"	449.143308	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+IsoProp+Na+H"	84.054008
"1004495"	224.578476	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+2ACN+2H"	84.067652
"1597297"	450.057928	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+K+HCOOH"	84.968628
"1422960"	480.089438	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+H+CF3COOH"	115.000138
"1156529"	245.091751	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+3ACN+2H"	125.094202
"1703894"	497.115985	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+NH4+CF3COOH"	132.026685
"1645012"	502.07138	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+Na+CF3COOH"	136.98208
"1574101"	518.04532	"C14862"	"2-S-Glutathionyl acetate;S-(Carboxymethyl)glutathione"	"C12H19N3O8S"	"365.0893"	"M+K+CF3COOH"	152.95602
"815404"	654.1625	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M"	0
"985655"	635.14411	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-H2O-H"	-19.01839
"73903"	435.101057333333	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M-3H"	-3.021828
"512371"	653.155224	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M-3H"	-3.021828
"881425"	217.046890666667	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-3H"	-3.021828
"6562"	653.155224	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M-2H"	-2.014552
"441748"	980.236474	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M-2H"	-2.014552
"820641"	326.073974	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-2H"	-2.014552
"83912"	1307.317724	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M-H"	-1.007276
"530035"	1961.480224	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M-H"	-1.007276
"899089"	653.155224	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-H"	-1.007276
"52368"	1324.344271	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M-2H+NH4"	16.019271
"495208"	1978.506771	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M-2H+NH4"	16.019271
"871919"	670.181771	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-2H+NH4"	16.019271
"43100"	1329.299666	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M-2H+Na"	20.974666
"479380"	1983.462166	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M-2H+Na"	20.974666
"853903"	675.137166	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-2H+Na"	20.974666
"1624530"	675.137166	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Na-2H"	20.974666
"103244"	671.143563	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M-H+Cl"	33.962126
"542808"	998.224813	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M-H+Cl"	33.962126
"929762"	344.062313	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-H+Cl"	33.962126
"273785"	1343.294402	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+Cl"	34.969402
"668396"	1997.456902	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+Cl"	34.969402
"1284081"	689.131902	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Cl"	34.969402
"25547"	1345.273606	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M-2H+K"	36.948606
"464015"	1999.436106	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M-2H+K"	36.948606
"833432"	691.111106	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-2H+K"	36.948606
"1558747"	691.111106	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+K-2H"	36.948606
"952098"	699.160694	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-H+HCOOH"	44.998194
"365938"	1353.323201	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+HCOOH-H"	44.998201
"355290"	1367.338851	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+Hac-H"	59.013851
"1501934"	713.176351	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Hac-H"	59.013851
"965101"	721.142651	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-H+NaCOOH"	66.980151
"116197"	689.131902	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+2Cl"	69.938804
"561225"	1016.213152	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+2Cl"	69.938804
"1031118"	362.050652	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2Cl"	69.938804
"1250697"	733.081385	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Br"	78.918885
"1313147"	735.137372	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Cl+HCOOH"	80.974872
"1331739"	757.119329	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Cl+NaCOOH"	102.956829
"917327"	767.148086	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M-H+CF3COOH"	112.985586
"1298408"	803.124764	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Cl+CF3COOH"	148.962264
"1376206"	619.149824	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H-2H2O"	-35.012676
"1394067"	637.1598	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H-H2O"	-17.0027
"287193"	1309.332276	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+H"	1.007276
"682896"	1963.494776	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+H"	1.007276
"1359248"	655.169776	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H"	1.007276
"134324"	655.169776	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+2H"	2.014552
"576071"	982.251026	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+2H"	2.014552
"1044870"	328.088526	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2H"	2.014552
"212771"	437.115609333333	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+3H"	3.021828
"649050"	655.169776	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+3H"	3.021828
"1171554"	219.061442666667	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+3H"	3.021828
"426802"	1326.358823	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+NH4"	18.033823
"791443"	1980.521323	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+NH4"	18.033823
"1684130"	672.196323	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+NH4"	18.033823
"332773"	663.6830495	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+H+NH4"	19.041099
"724947"	990.7642995	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+H+NH4"	19.041099
"1479379"	336.6017995	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H+NH4"	19.041099
"395143"	1331.314218	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+Na"	22.989218
"757232"	1985.476718	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+Na"	22.989218
"1604965"	677.151718	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Na"	22.989218
"316096"	666.160747	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+H+Na"	23.996494
"712527"	993.241997	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+H+Na"	23.996494
"1462456"	339.079497	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H+Na"	23.996494
"1053148"	226.388756666667	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2H+Na"	25.00377
"1257215"	687.195986	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+CH3OH+H"	33.033486
"377287"	1347.288158	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+K"	38.963158
"741576"	2001.450658	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+K"	38.963158
"1544726"	693.125658	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+K"	38.963158
"298977"	674.147717	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+H+K"	39.970434
"695416"	1001.228967	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+H+K"	39.970434
"1449236"	347.066467	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H+K"	39.970434
"238203"	1350.358826	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+ACN+H"	42.033826
"1213099"	696.196326	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+ACN+H"	42.033826
"1198080"	348.601801	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+ACN+2H"	43.041102
"193502"	1353.29616	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+2Na-H"	44.97116
"630871"	2007.45866	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+2Na-H"	44.97116
"1133652"	699.13366	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2Na-H"	44.97116
"174752"	677.151718	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+2Na"	45.978436
"617967"	1004.232968	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+2Na"	45.978436
"1118920"	350.070468	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2Na"	45.978436
"1400250"	233.716070666667	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H+2Na"	46.985712
"1431636"	701.175246	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H+HCOOH"	47.012746
"221332"	682.18474	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+3H2O+2H"	56.04448
"1508832"	715.22729	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+IsoProp+H"	61.06479
"409444"	685.138688	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+Na+K"	61.952376
"770809"	1012.219938	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+Na+K"	61.952376
"1667875"	358.057438	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Na+K"	61.952376
"252443"	1372.340768	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+ACN+Na"	64.015768
"1226736"	718.178268	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+ACN+Na"	64.015768
"1713793"	718.201793	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+NH4+HCOOH"	64.039293
"1179882"	241.043384666667	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+3Na"	68.967654
"1660724"	723.157188	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Na+HCOOH"	68.994688
"164303"	1385.24404	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+2K-H"	76.91904
"608240"	2039.40654	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+2K-H"	76.91904
"1093848"	731.08154	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2K-H"	76.91904
"155887"	693.125658	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"2M+2K"	77.926316
"596055"	1020.206908	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"3M+2K"	77.926316
"1080204"	366.044408	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2K"	77.926316
"1113412"	733.096092	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2K+H"	78.933592
"1346518"	733.183707	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+DMSO+H"	79.021207
"1011768"	737.222876	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2ACN+H"	83.060376
"1532082"	738.216508	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+IsoProp+Na+H"	84.054008
"1003876"	369.115076	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+2ACN+2H"	84.067652
"1590848"	739.131128	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+K+HCOOH"	84.968628
"1421976"	769.162638	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+H+CF3COOH"	115.000138
"1152266"	389.628351	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+3ACN+2H"	125.094202
"1704004"	786.189185	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+NH4+CF3COOH"	132.026685
"1645122"	791.14458	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+Na+CF3COOH"	136.98208
"1574211"	807.11852	"C14863"	"2-(S-Glutathionyl)acetyl glutathione"	"C22H34N6O13S2"	"654.1625"	"M+K+CF3COOH"	152.95602
"807856"	383.0554	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M"	0
"984672"	364.03701	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-H2O-H"	-19.01839
"75837"	254.362990666667	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M-3H"	-3.021828
"510297"	382.048124	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M-3H"	-3.021828
"887003"	126.677857333333	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-3H"	-3.021828
"5579"	382.048124	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M-2H"	-2.014552
"445138"	573.575824	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M-2H"	-2.014552
"822937"	190.520424	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-2H"	-2.014552
"86209"	765.103524	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M-H"	-1.007276
"527958"	1148.158924	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M-H"	-1.007276
"900292"	382.048124	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-H"	-1.007276
"57945"	782.130071	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M-2H+NH4"	16.019271
"495318"	1165.185471	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M-2H+NH4"	16.019271
"869841"	399.074671	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-2H+NH4"	16.019271
"42116"	787.085466	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M-2H+Na"	20.974666
"476210"	1170.140866	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M-2H+Na"	20.974666
"851461"	404.030066	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-2H+Na"	20.974666
"1626827"	404.030066	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Na-2H"	20.974666
"103354"	400.036463	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M-H+Cl"	33.962126
"542919"	591.564163	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M-H+Cl"	33.962126
"929872"	208.508763	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-H+Cl"	33.962126
"270979"	801.080202	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+Cl"	34.969402
"668506"	1184.135602	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+Cl"	34.969402
"1280911"	418.024802	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Cl"	34.969402
"28573"	803.059406	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M-2H+K"	36.948606
"464125"	1186.114806	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M-2H+K"	36.948606
"836461"	420.004006	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-2H+K"	36.948606
"1561044"	420.004006	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+K-2H"	36.948606
"947833"	428.053594	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-H+HCOOH"	44.998194
"370422"	811.109001	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+HCOOH-H"	44.998201
"355400"	825.124651	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+Hac-H"	59.013851
"1503138"	442.069251	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Hac-H"	59.013851
"965211"	450.035551	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-H+NaCOOH"	66.980151
"116305"	418.024802	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+2Cl"	69.938804
"562428"	609.552502	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+2Cl"	69.938804
"1030135"	226.497102	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2Cl"	69.938804
"1250805"	461.974285	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Br"	78.918885
"1311070"	464.030272	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Cl+HCOOH"	80.974872
"1326378"	486.012229	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Cl+NaCOOH"	102.956829
"919623"	496.040986	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M-H+CF3COOH"	112.985586
"1295237"	532.017664	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Cl+CF3COOH"	148.962264
"1371213"	348.042724	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H-2H2O"	-35.012676
"1386523"	366.0527	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H-H2O"	-17.0027
"288396"	767.118076	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+H"	1.007276
"684099"	1150.173476	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+H"	1.007276
"1354613"	384.062676	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H"	1.007276
"132246"	384.062676	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+2H"	2.014552
"573993"	575.590376	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+2H"	2.014552
"1041697"	192.534976	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2H"	2.014552
"210692"	256.377542666667	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+3H"	3.021828
"651345"	384.062676	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+3H"	3.021828
"1171664"	128.692409333333	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+3H"	3.021828
"424528"	784.144623	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+NH4"	18.033823
"789002"	1167.200023	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+NH4"	18.033823
"1684239"	401.089223	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+NH4"	18.033823
"337253"	392.5759495	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+H+NH4"	19.041099
"725669"	584.1036495	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+H+NH4"	19.041099
"1479490"	201.0482495	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H+NH4"	19.041099
"397075"	789.100018	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+Na"	22.989218
"754788"	1172.155418	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+Na"	22.989218
"1603980"	406.044618	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Na"	22.989218
"317300"	395.053647	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+H+Na"	23.996494
"712638"	586.581347	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+H+Na"	23.996494
"1462202"	203.525947	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H+Na"	23.996494
"1053054"	136.019723333333	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2H+Na"	25.00377
"1257612"	416.088886	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+CH3OH+H"	33.033486
"377317"	805.073958	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+K"	38.963158
"742779"	1188.129358	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+K"	38.963158
"1544472"	422.018558	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+K"	38.963158
"301645"	403.040617	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+H+K"	39.970434
"695895"	594.568317	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+H+K"	39.970434
"1450441"	211.512917	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H+K"	39.970434
"236854"	808.144626	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+ACN+H"	42.033826
"1212481"	425.089226	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+ACN+H"	42.033826
"1200742"	213.048251	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+ACN+2H"	43.041102
"193248"	811.08196	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+2Na-H"	44.97116
"629525"	1194.13736	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+2Na-H"	44.97116
"1133763"	428.02656	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2Na-H"	44.97116
"174258"	406.044618	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+2Na"	45.978436
"615889"	597.572318	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+2Na"	45.978436
"1119394"	214.516918	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2Na"	45.978436
"1401826"	143.347037333333	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H+2Na"	46.985712
"1431141"	430.068146	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H+HCOOH"	47.012746
"220958"	411.07764	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+3H2O+2H"	56.04448
"1509266"	444.12019	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+IsoProp+H"	61.06479
"409923"	414.031588	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+Na+K"	61.952376
"770314"	605.559288	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+Na+K"	61.952376
"1665835"	222.503888	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Na+K"	61.952376
"251828"	830.126568	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+ACN+Na"	64.015768
"1226240"	447.071168	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+ACN+Na"	64.015768
"1714272"	447.094693	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+NH4+HCOOH"	64.039293
"1179383"	150.674351333333	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+3Na"	68.967654
"1659741"	452.050088	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Na+HCOOH"	68.994688
"167695"	843.02984	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+2K-H"	76.91904
"610536"	1226.08524	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+2K-H"	76.91904
"1096144"	459.97444	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2K-H"	76.91904
"156117"	422.018558	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"2M+2K"	77.926316
"596164"	613.546258	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"3M+2K"	77.926316
"1083230"	230.490858	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2K"	77.926316
"1114615"	461.988992	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2K+H"	78.933592
"1350518"	462.076607	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+DMSO+H"	79.021207
"1015158"	466.115776	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2ACN+H"	83.060376
"1536566"	467.109408	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+IsoProp+Na+H"	84.054008
"1004231"	233.561526	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+2ACN+2H"	84.067652
"1593146"	468.024028	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+K+HCOOH"	84.968628
"1422086"	498.055538	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+H+CF3COOH"	115.000138
"1154562"	254.074801	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+3ACN+2H"	125.094202
"1704114"	515.082085	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+NH4+CF3COOH"	132.026685
"1645232"	520.03748	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+Na+CF3COOH"	136.98208
"1574321"	536.01142	"C14864"	"S-(2-Chloroacetyl)glutathione"	"C12H18ClN3O7S"	"383.0554"	"M+K+CF3COOH"	152.95602
"804686"	383.0554	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M"	0
"983689"	364.03701	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-H2O-H"	-19.01839
"74126"	254.362990666667	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M-3H"	-3.021828
"512594"	382.048124	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M-3H"	-3.021828
"887114"	126.677857333333	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-3H"	-3.021828
"4596"	382.048124	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M-2H"	-2.014552
"441967"	573.575824	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M-2H"	-2.014552
"825237"	190.520424	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-2H"	-2.014552
"85226"	765.103524	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M-H"	-1.007276
"528068"	1148.158924	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M-H"	-1.007276
"898943"	382.048124	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-H"	-1.007276
"55869"	782.130071	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M-2H+NH4"	16.019271
"495428"	1165.185471	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M-2H+NH4"	16.019271
"869951"	399.074671	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-2H+NH4"	16.019271
"41133"	787.085466	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M-2H+Na"	20.974666
"475225"	1170.140866	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M-2H+Na"	20.974666
"850476"	404.030066	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-2H+Na"	20.974666
"1625844"	404.030066	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Na-2H"	20.974666
"100185"	400.036463	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M-H+Cl"	33.962126
"543029"	591.564163	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M-H+Cl"	33.962126
"929982"	208.508763	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-H+Cl"	33.962126
"271818"	801.080202	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+Cl"	34.969402
"668616"	1184.135602	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+Cl"	34.969402
"1282114"	418.024802	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Cl"	34.969402
"26861"	803.059406	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M-2H+K"	36.948606
"460955"	1186.114806	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M-2H+K"	36.948606
"838759"	420.004006	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-2H+K"	36.948606
"1560060"	420.004006	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+K-2H"	36.948606
"947943"	428.053594	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-H+HCOOH"	44.998194
"370532"	811.109001	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+HCOOH-H"	44.998201
"357696"	825.124651	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+Hac-H"	59.013851
"1505434"	442.069251	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Hac-H"	59.013851
"964228"	450.035551	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-H+NaCOOH"	66.980151
"116415"	418.024802	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+2Cl"	69.938804
"562538"	609.552502	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+2Cl"	69.938804
"1031338"	226.497102	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2Cl"	69.938804
"1250915"	461.974285	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Br"	78.918885
"1312272"	464.030272	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Cl+HCOOH"	80.974872
"1327582"	486.012229	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Cl+NaCOOH"	102.956829
"919733"	496.040986	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M-H+CF3COOH"	112.985586
"1295346"	532.017664	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Cl+CF3COOH"	148.962264
"1372415"	348.042724	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H-2H2O"	-35.012676
"1386630"	366.0527	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H-H2O"	-17.0027
"286318"	767.118076	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+H"	1.007276
"680928"	1150.173476	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+H"	1.007276
"1354359"	384.062676	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H"	1.007276
"129074"	384.062676	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+2H"	2.014552
"573009"	575.590376	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+2H"	2.014552
"1040714"	192.534976	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2H"	2.014552
"211895"	256.377542666667	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+3H"	3.021828
"651455"	384.062676	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+3H"	3.021828
"1168494"	128.692409333333	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+3H"	3.021828
"425569"	784.144623	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+NH4"	18.033823
"788748"	1167.200023	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+NH4"	18.033823
"1684350"	401.089223	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+NH4"	18.033823
"333719"	392.5759495	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+H+NH4"	19.041099
"725414"	584.1036495	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+H+NH4"	19.041099
"1479233"	201.0482495	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H+NH4"	19.041099
"393538"	789.100018	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+Na"	22.989218
"754329"	1172.155418	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+Na"	22.989218
"1602729"	406.044618	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Na"	22.989218
"317045"	395.053647	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+H+Na"	23.996494
"710561"	586.581347	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+H+Na"	23.996494
"1462194"	203.525947	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H+Na"	23.996494
"1052834"	136.019723333333	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2H+Na"	25.00377
"1257097"	416.088886	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+CH3OH+H"	33.033486
"377882"	805.073958	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+K"	38.963158
"741068"	1188.129358	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+K"	38.963158
"1541664"	422.018558	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+K"	38.963158
"299809"	403.040617	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+H+K"	39.970434
"693084"	594.568317	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+H+K"	39.970434
"1448726"	211.512917	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H+K"	39.970434
"236597"	808.144626	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+ACN+H"	42.033826
"1212955"	425.089226	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+ACN+H"	42.033826
"1197207"	213.048251	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+ACN+2H"	43.041102
"193360"	811.08196	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+2Na-H"	44.97116
"629635"	1194.13736	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+2Na-H"	44.97116
"1132412"	428.02656	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2Na-H"	44.97116
"174367"	406.044618	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+2Na"	45.978436
"613078"	597.572318	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+2Na"	45.978436
"1116583"	214.516918	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2Na"	45.978436
"1399985"	143.347037333333	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H+2Na"	46.985712
"1431127"	430.068146	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H+HCOOH"	47.012746
"220579"	411.07764	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+3H2O+2H"	56.04448
"1509493"	444.12019	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+IsoProp+H"	61.06479
"408648"	414.031588	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+Na+K"	61.952376
"770538"	605.559288	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+Na+K"	61.952376
"1665709"	222.503888	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Na+K"	61.952376
"252423"	830.126568	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+ACN+Na"	64.015768
"1226954"	447.071168	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+ACN+Na"	64.015768
"1712918"	447.094693	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+NH4+HCOOH"	64.039293
"1180466"	150.674351333333	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+3Na"	68.967654
"1661674"	452.050088	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Na+HCOOH"	68.994688
"167805"	843.02984	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+2K-H"	76.91904
"609553"	1226.08524	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+2K-H"	76.91904
"1095161"	459.97444	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2K-H"	76.91904
"153069"	422.018558	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"2M+2K"	77.926316
"594694"	613.546258	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"3M+2K"	77.926316
"1082610"	230.490858	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2K"	77.926316
"1112539"	461.988992	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2K+H"	78.933592
"1350749"	462.076607	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+DMSO+H"	79.021207
"1015268"	466.115776	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2ACN+H"	83.060376
"1533396"	467.109408	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+IsoProp+Na+H"	84.054008
"1003124"	233.561526	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+2ACN+2H"	84.067652
"1596536"	468.024028	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+K+HCOOH"	84.968628
"1422196"	498.055538	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+H+CF3COOH"	115.000138
"1154672"	254.074801	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+3ACN+2H"	125.094202
"1704224"	515.082085	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+NH4+CF3COOH"	132.026685
"1645342"	520.03748	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+Na+CF3COOH"	136.98208
"1574431"	536.01142	"C14865"	"2-(S-Glutathionyl)acetyl chloride"	"C12H18ClN3O7S"	"383.0554"	"M+K+CF3COOH"	152.95602
"813547"	145.9093	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M"	0
"983799"	126.89091	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-H2O-H"	-19.01839
"70954"	96.2655906666667	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M-3H"	-3.021828
"514891"	144.902024	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M-3H"	-3.021828
"887223"	47.6291573333333	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-3H"	-3.021828
"2517"	144.902024	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M-2H"	-2.014552
"447546"	217.856674	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M-2H"	-2.014552
"820972"	71.947374	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-2H"	-2.014552
"88617"	290.811324	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M-H"	-1.007276
"530367"	436.720624	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M-H"	-1.007276
"909630"	144.902024	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-H"	-1.007276
"58167"	307.837871	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M-2H+NH4"	16.019271
"493356"	453.747171	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M-2H+NH4"	16.019271
"873343"	161.928571	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-2H+NH4"	16.019271
"41244"	312.793266	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M-2H+Na"	20.974666
"476432"	458.702566	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M-2H+Na"	20.974666
"852410"	166.883966	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-2H+Na"	20.974666
"1627047"	166.883966	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Na-2H"	20.974666
"101389"	162.890363	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M-H+Cl"	33.962126
"542046"	235.845013	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M-H+Cl"	33.962126
"936654"	89.935713	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-H+Cl"	33.962126
"279223"	326.788002	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+Cl"	34.969402
"672006"	472.697302	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+Cl"	34.969402
"1281135"	180.878702	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Cl"	34.969402
"26972"	328.767206	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M-2H+K"	36.948606
"464347"	474.676506	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M-2H+K"	36.948606
"834494"	182.857906	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-2H+K"	36.948606
"1560171"	182.857906	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+K-2H"	36.948606
"946959"	190.907494	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-H+HCOOH"	44.998194
"368456"	336.816801	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+HCOOH-H"	44.998201
"352340"	350.832451	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+Hac-H"	59.013851
"1501173"	204.923151	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Hac-H"	59.013851
"969808"	212.889451	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-H+NaCOOH"	66.980151
"121997"	180.878702	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+2Cl"	69.938804
"560464"	253.833352	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+2Cl"	69.938804
"1033636"	107.924052	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2Cl"	69.938804
"1253213"	224.828185	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Br"	78.918885
"1314570"	226.884172	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Cl+HCOOH"	80.974872
"1330971"	248.866129	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Cl+NaCOOH"	102.956829
"917656"	258.894886	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M-H+CF3COOH"	112.985586
"1293273"	294.871564	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Cl+CF3COOH"	148.962264
"1370340"	110.896624	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H-2H2O"	-35.012676
"1385647"	128.9066	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H-H2O"	-17.0027
"285700"	292.825876	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+H"	1.007276
"684320"	438.735176	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+H"	1.007276
"1359576"	146.916576	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H"	1.007276
"129185"	146.916576	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+2H"	2.014552
"568014"	219.871226	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+2H"	2.014552
"1039730"	73.961926	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2H"	2.014552
"208722"	98.2801426666667	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+3H"	3.021828
"646099"	146.916576	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+3H"	3.021828
"1168605"	49.6437093333333	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+3H"	3.021828
"430784"	309.852423	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+NH4"	18.033823
"789586"	455.761723	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+NH4"	18.033823
"1682274"	163.943123	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+NH4"	18.033823
"331038"	155.4298495	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+H+NH4"	19.041099
"724430"	228.3844995	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+H+NH4"	19.041099
"1478615"	82.4751995	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H+NH4"	19.041099
"398023"	314.807818	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+Na"	22.989218
"756832"	460.717118	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+Na"	22.989218
"1603472"	168.898518	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Na"	22.989218
"315088"	157.907547	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+H+Na"	23.996494
"707381"	230.862197	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+H+Na"	23.996494
"1461375"	84.952897	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H+Na"	23.996494
"1053035"	56.9710233333333	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2H+Na"	25.00377
"1257299"	178.942786	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+CH3OH+H"	33.033486
"379085"	330.781758	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+K"	38.963158
"740083"	476.691058	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+K"	38.963158
"1540313"	184.872458	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+K"	38.963158
"299312"	165.894517	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+H+K"	39.970434
"691405"	238.849167	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+H+K"	39.970434
"1445598"	92.939867	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H+K"	39.970434
"236347"	333.852426	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+ACN+H"	42.033826
"1210515"	187.943126	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+ACN+H"	42.033826
"1195492"	94.475201	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+ACN+2H"	43.041102
"194563"	336.78976	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+2Na-H"	44.97116
"631936"	482.69906	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+2Na-H"	44.97116
"1133373"	190.88046	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2Na-H"	44.97116
"175330"	168.898518	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+2Na"	45.978436
"613474"	241.853168	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+2Na"	45.978436
"1117058"	95.943868	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2Na"	45.978436
"1398678"	64.2983373333333	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H+2Na"	46.985712
"1431476"	192.922046	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H+HCOOH"	47.012746
"220932"	173.93154	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+3H2O+2H"	56.04448
"1508917"	206.97409	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+IsoProp+H"	61.06479
"409776"	176.885488	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+Na+K"	61.952376
"771132"	249.840138	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+Na+K"	61.952376
"1667105"	103.930838	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Na+K"	61.952376
"251887"	355.834368	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+ACN+Na"	64.015768
"1225812"	209.925068	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+ACN+Na"	64.015768
"1715959"	209.948593	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+NH4+HCOOH"	64.039293
"1178880"	71.6256513333333	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+3Na"	68.967654
"1659960"	214.903988	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Na+HCOOH"	68.994688
"163541"	368.73764	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+2K-H"	76.91904
"609666"	514.64694	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+2K-H"	76.91904
"1091990"	222.82834	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2K-H"	76.91904
"148807"	184.872458	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"2M+2K"	77.926316
"593835"	257.827108	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"3M+2K"	77.926316
"1083573"	111.917808	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2K"	77.926316
"1111556"	224.842892	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2K+H"	78.933592
"1350007"	224.930507	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+DMSO+H"	79.021207
"1012099"	228.969676	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2ACN+H"	83.060376
"1529131"	229.963308	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+IsoProp+Na+H"	84.054008
"1001046"	114.988476	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+2ACN+2H"	84.067652
"1593366"	230.877928	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+K+HCOOH"	84.968628
"1422306"	260.909438	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+H+CF3COOH"	115.000138
"1153689"	135.501751	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+3ACN+2H"	125.094202
"1706520"	277.935985	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+NH4+CF3COOH"	132.026685
"1642172"	282.89138	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+Na+CF3COOH"	136.98208
"1574541"	298.86532	"C14866"	"Chloral;Trichloroacetaldehyde"	"C2HCl3O"	"145.9093"	"M+K+CF3COOH"	152.95602
"813657"	145.9093	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M"	0
"986095"	126.89091	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-H2O-H"	-19.01839
"75439"	96.2655906666667	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M-3H"	-3.021828
"517920"	144.902024	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M-3H"	-3.021828
"887334"	47.6291573333333	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-3H"	-3.021828
"3723"	144.902024	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M-2H"	-2.014552
"445471"	217.856674	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M-2H"	-2.014552
"824365"	71.947374	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-2H"	-2.014552
"87637"	290.811324	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M-H"	-1.007276
"521733"	436.720624	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M-H"	-1.007276
"902812"	144.902024	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-H"	-1.007276
"60830"	307.837871	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M-2H+NH4"	16.019271
"492373"	453.747171	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M-2H+NH4"	16.019271
"873454"	161.928571	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-2H+NH4"	16.019271
"35889"	312.793266	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M-2H+Na"	20.974666
"475450"	458.702566	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M-2H+Na"	20.974666
"853252"	166.883966	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-2H+Na"	20.974666
"1629346"	166.883966	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Na-2H"	20.974666
"106967"	162.890363	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M-H+Cl"	33.962126
"541064"	235.845013	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M-H+Cl"	33.962126
"937860"	89.935713	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-H+Cl"	33.962126
"280062"	326.788002	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+Cl"	34.969402
"669933"	472.697302	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+Cl"	34.969402
"1281244"	180.878702	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Cl"	34.969402
"24894"	328.767206	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M-2H+K"	36.948606
"460081"	474.676506	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M-2H+K"	36.948606
"836791"	182.857906	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-2H+K"	36.948606
"1560277"	182.857906	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+K-2H"	36.948606
"945973"	190.907494	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-H+HCOOH"	44.998194
"366380"	336.816801	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+HCOOH-H"	44.998201
"354638"	350.832451	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+Hac-H"	59.013851
"1499097"	204.923151	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Hac-H"	59.013851
"969918"	212.889451	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-H+NaCOOH"	66.980151
"118825"	180.878702	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+2Cl"	69.938804
"562397"	253.833352	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+2Cl"	69.938804
"1033383"	107.924052	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2Cl"	69.938804
"1250043"	224.828185	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Br"	78.918885
"1309213"	226.884172	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Cl+HCOOH"	80.974872
"1327801"	248.866129	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Cl+NaCOOH"	102.956829
"915579"	258.894886	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M-H+CF3COOH"	112.985586
"1295570"	294.871564	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Cl+CF3COOH"	148.962264
"1372638"	110.896624	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H-2H2O"	-35.012676
"1389041"	128.9066	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H-H2O"	-17.0027
"284716"	292.825876	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+H"	1.007276
"684430"	438.735176	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+H"	1.007276
"1361873"	146.916576	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H"	1.007276
"132577"	146.916576	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+2H"	2.014552
"569947"	219.871226	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+2H"	2.014552
"1045309"	73.961926	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2H"	2.014552
"211024"	98.2801426666667	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+3H"	3.021828
"646937"	146.916576	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+3H"	3.021828
"1168715"	49.6437093333333	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+3H"	3.021828
"427616"	309.852423	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+NH4"	18.033823
"788238"	455.761723	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+NH4"	18.033823
"1684938"	163.943123	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+NH4"	18.033823
"331757"	155.4298495	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+H+NH4"	19.041099
"724536"	228.3844995	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+H+NH4"	19.041099
"1479819"	82.4751995	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H+NH4"	19.041099
"394122"	314.807818	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+Na"	22.989218
"756940"	460.717118	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+Na"	22.989218
"1603460"	168.898518	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Na"	22.989218
"314665"	157.907547	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+H+Na"	23.996494
"709078"	230.862197	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+H+Na"	23.996494
"1461836"	84.952897	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H+Na"	23.996494
"1058943"	56.9710233333333	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2H+Na"	25.00377
"1257865"	178.942786	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+CH3OH+H"	33.033486
"381384"	330.781758	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+K"	38.963158
"741287"	476.691058	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+K"	38.963158
"1541154"	184.872458	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+K"	38.963158
"300880"	165.894517	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+H+K"	39.970434
"691421"	238.849167	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+H+K"	39.970434
"1446764"	92.939867	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H+K"	39.970434
"236092"	333.852426	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+ACN+H"	42.033826
"1210987"	187.943126	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+ACN+H"	42.033826
"1196331"	94.475201	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+ACN+2H"	43.041102
"193580"	336.78976	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+2Na-H"	44.97116
"632410"	482.69906	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+2Na-H"	44.97116
"1132025"	190.88046	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2Na-H"	44.97116
"174832"	168.898518	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+2Na"	45.978436
"618407"	241.853168	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+2Na"	45.978436
"1115831"	95.943868	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2Na"	45.978436
"1399968"	64.2983373333333	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H+2Na"	46.985712
"1430983"	192.922046	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H+HCOOH"	47.012746
"221410"	173.93154	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+3H2O+2H"	56.04448
"1508786"	206.97409	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+IsoProp+H"	61.06479
"409519"	176.885488	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+Na+K"	61.952376
"771244"	249.840138	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+Na+K"	61.952376
"1667578"	103.930838	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Na+K"	61.952376
"252275"	355.834368	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+ACN+Na"	64.015768
"1226448"	209.925068	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+ACN+Na"	64.015768
"1716066"	209.948593	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+NH4+HCOOH"	64.039293
"1179599"	71.6256513333333	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+3Na"	68.967654
"1661165"	214.903988	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Na+HCOOH"	68.994688
"169121"	368.73764	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+2K-H"	76.91904
"611599"	514.64694	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+2K-H"	76.91904
"1098542"	222.82834	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2K-H"	76.91904
"153291"	184.872458	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"2M+2K"	77.926316
"595039"	257.827108	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"3M+2K"	77.926316
"1079553"	111.917808	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2K"	77.926316
"1110573"	224.842892	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2K+H"	78.933592
"1348051"	224.930507	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+DMSO+H"	79.021207
"1016583"	228.969676	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2ACN+H"	83.060376
"1532521"	229.963308	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+IsoProp+Na+H"	84.054008
"1004437"	114.988476	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+2ACN+2H"	84.067652
"1593476"	230.877928	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+K+HCOOH"	84.968628
"1421323"	260.909438	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+H+CF3COOH"	115.000138
"1152705"	135.501751	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+3ACN+2H"	125.094202
"1706630"	277.935985	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+NH4+CF3COOH"	132.026685
"1645562"	282.89138	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+Na+CF3COOH"	136.98208
"1574651"	298.86532	"C14867"	"Dichloroacetyl chloride"	"C2HCl3O"	"145.9093"	"M+K+CF3COOH"	152.95602
"817038"	401.0215	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M"	0
"989081"	382.00311	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-H2O-H"	-19.01839
"75548"	266.340390666667	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M-3H"	-3.021828
"516204"	400.014224	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M-3H"	-3.021828
"887445"	132.666557333333	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-3H"	-3.021828
"2740"	400.014224	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M-2H"	-2.014552
"445580"	600.524974	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M-2H"	-2.014552
"822287"	199.503474	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-2H"	-2.014552
"86652"	801.035724	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M-H"	-1.007276
"525121"	1202.057224	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M-H"	-1.007276
"906202"	400.014224	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-H"	-1.007276
"56201"	818.062271	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M-2H+NH4"	16.019271
"489566"	1219.083771	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M-2H+NH4"	16.019271
"867003"	417.040771	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-2H+NH4"	16.019271
"32834"	823.017666	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M-2H+Na"	20.974666
"472519"	1224.039166	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M-2H+Na"	20.974666
"853362"	421.996166	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-2H+Na"	20.974666
"1627269"	421.996166	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Na-2H"	20.974666
"100516"	418.002563	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M-H+Cl"	33.962126
"544453"	618.513313	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M-H+Cl"	33.962126
"939063"	217.491813	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-H+Cl"	33.962126
"278713"	837.012402	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+Cl"	34.969402
"672229"	1238.033902	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+Cl"	34.969402
"1281354"	435.990902	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Cl"	34.969402
"26098"	838.991606	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M-2H+K"	36.948606
"467845"	1240.013106	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M-2H+K"	36.948606
"843461"	437.970106	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-2H+K"	36.948606
"1562575"	437.970106	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+K-2H"	36.948606
"947540"	446.019694	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-H+HCOOH"	44.998194
"369770"	847.041201	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+HCOOH-H"	44.998201
"356933"	861.056851	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+Hac-H"	59.013851
"1502487"	460.035351	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Hac-H"	59.013851
"970394"	468.001651	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-H+NaCOOH"	66.980151
"117838"	435.990902	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+2Cl"	69.938804
"562143"	636.501652	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+2Cl"	69.938804
"1033857"	235.480152	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2Cl"	69.938804
"1250153"	479.940385	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Br"	78.918885
"1314790"	481.996372	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Cl+HCOOH"	80.974872
"1330098"	503.978329	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Cl+NaCOOH"	102.956829
"917875"	514.007086	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M-H+CF3COOH"	112.985586
"1293493"	549.983764	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Cl+CF3COOH"	148.962264
"1372746"	366.008824	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H-2H2O"	-35.012676
"1390244"	384.0188	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H-H2O"	-17.0027
"287013"	803.050276	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+H"	1.007276
"683447"	1204.071776	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+H"	1.007276
"1362348"	402.028776	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H"	1.007276
"130499"	402.028776	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+2H"	2.014552
"568234"	602.539526	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+2H"	2.014552
"1043232"	201.518026	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2H"	2.014552
"211133"	268.354942666667	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+3H"	3.021828
"647776"	402.028776	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+3H"	3.021828
"1172105"	134.681109333333	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+3H"	3.021828
"431006"	820.076823	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+NH4"	18.033823
"787254"	1221.098323	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+NH4"	18.033823
"1688328"	419.055323	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+NH4"	18.033823
"332600"	410.5420495	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+H+NH4"	19.041099
"724651"	611.0527995	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+H+NH4"	19.041099
"1481020"	210.0312995	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H+NH4"	19.041099
"396054"	825.032218	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+Na"	22.989218
"758143"	1226.053718	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+Na"	22.989218
"1603691"	424.010718	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Na"	22.989218
"314942"	413.019747	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+H+Na"	23.996494
"709796"	613.530497	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+H+Na"	23.996494
"1462157"	212.508997	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H+Na"	23.996494
"1055407"	142.008423333333	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2H+Na"	25.00377
"1258298"	434.054986	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+CH3OH+H"	33.033486
"382588"	841.006158	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+K"	38.963158
"741399"	1242.027658	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+K"	38.963158
"1541264"	439.984658	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+K"	38.963158
"300261"	421.006717	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+H+K"	39.970434
"691628"	621.517467	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+H+K"	39.970434
"1449061"	220.495967	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H+K"	39.970434
"237661"	844.076826	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+ACN+H"	42.033826
"1212555"	443.055326	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+ACN+H"	42.033826
"1199722"	222.031301	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+ACN+2H"	43.041102
"191136"	847.01416	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+2Na-H"	44.97116
"633249"	1248.03566	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+2Na-H"	44.97116
"1134565"	445.99266	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2Na-H"	44.97116
"177860"	424.010718	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+2Na"	45.978436
"618517"	624.521468	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+2Na"	45.978436
"1115820"	223.499968	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2Na"	45.978436
"1401171"	149.335737333333	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H+2Na"	46.985712
"1430850"	448.034246	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H+HCOOH"	47.012746
"220791"	429.04374	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+3H2O+2H"	56.04448
"1509952"	462.08629	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+IsoProp+H"	61.06479
"409873"	431.997688	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+Na+K"	61.952376
"771476"	632.508438	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+Na+K"	61.952376
"1667694"	231.486938	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Na+K"	61.952376
"252391"	866.058768	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+ACN+Na"	64.015768
"1228383"	465.037268	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+ACN+Na"	64.015768
"1716176"	465.060793	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+NH4+HCOOH"	64.039293
"1184084"	156.663051333333	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+3Na"	68.967654
"1661275"	470.016188	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Na+HCOOH"	68.994688
"169231"	878.96204	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+2K-H"	76.91904
"611955"	1279.98354	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+2K-H"	76.91904
"1098774"	477.94054	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2K-H"	76.91904
"154495"	439.984658	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"2M+2K"	77.926316
"596933"	640.495408	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"3M+2K"	77.926316
"1083677"	239.473908	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2K"	77.926316
"1114936"	479.955092	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2K+H"	78.933592
"1350227"	480.042707	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+DMSO+H"	79.021207
"1018879"	484.081876	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2ACN+H"	83.060376
"1535911"	485.075508	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+IsoProp+Na+H"	84.054008
"1003453"	242.544576	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+2ACN+2H"	84.067652
"1592491"	485.990128	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+K+HCOOH"	84.968628
"1421431"	516.021638	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+H+CF3COOH"	115.000138
"1152814"	263.057851	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+3ACN+2H"	125.094202
"1700179"	533.048185	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+NH4+CF3COOH"	132.026685
"1645672"	538.00358	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+Na+CF3COOH"	136.98208
"1575854"	553.97752	"C14868"	"S-(12-Dichlorovinyl)glutathione;DCVG"	"C12H17Cl2N3O6S"	"401.0215"	"M+K+CF3COOH"	152.95602
"814971"	323.957	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M"	0
"986315"	304.93861	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-H2O-H"	-19.01839
"77844"	214.964057333333	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M-3H"	-3.021828
"516314"	322.949724	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M-3H"	-3.021828
"886462"	106.978390666667	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-3H"	-3.021828
"3943"	322.949724	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M-2H"	-2.014552
"451157"	484.928224	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M-2H"	-2.014552
"827864"	160.971224	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-2H"	-2.014552
"86763"	646.906724	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M-H"	-1.007276
"525232"	970.863724	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M-H"	-1.007276
"903032"	322.949724	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-H"	-1.007276
"54124"	663.933271	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M-2H+NH4"	16.019271
"490406"	987.890271	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M-2H+NH4"	16.019271
"869299"	339.976271	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-2H+NH4"	16.019271
"34404"	668.888666	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M-2H+Na"	20.974666
"476764"	992.845666	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M-2H+Na"	20.974666
"855658"	344.931666	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-2H+Na"	20.974666
"1628472"	344.931666	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Na-2H"	20.974666
"101719"	340.938063	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M-H+Cl"	33.962126
"545658"	502.916563	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M-H+Cl"	33.962126
"938080"	178.959563	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-H+Cl"	33.962126
"278823"	682.883402	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+Cl"	34.969402
"674649"	1006.840402	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+Cl"	34.969402
"1284381"	358.926402	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Cl"	34.969402
"25115"	684.862606	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M-2H+K"	36.948606
"463581"	1008.819606	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M-2H+K"	36.948606
"839197"	360.905606	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-2H+K"	36.948606
"1562685"	360.905606	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+K-2H"	36.948606
"950567"	368.955194	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-H+HCOOH"	44.998194
"369879"	692.912201	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+HCOOH-H"	44.998201
"349387"	706.927851	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+Hac-H"	59.013851
"1496031"	382.970851	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Hac-H"	59.013851
"969045"	390.937151	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-H+NaCOOH"	66.980151
"116855"	358.926402	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+2Cl"	69.938804
"561525"	520.904902	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+2Cl"	69.938804
"1033239"	196.947902	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2Cl"	69.938804
"1251357"	402.875885	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Br"	78.918885
"1313807"	404.931872	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Cl+HCOOH"	80.974872
"1328021"	426.913829	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Cl+NaCOOH"	102.956829
"915800"	436.942586	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M-H+CF3COOH"	112.985586
"1292510"	472.919264	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Cl+CF3COOH"	148.962264
"1373952"	288.944324	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H-2H2O"	-35.012676
"1390356"	306.9543	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H-H2O"	-17.0027
"291134"	648.921276	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+H"	1.007276
"683557"	972.878276	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+H"	1.007276
"1359178"	324.964276	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H"	1.007276
"129516"	324.964276	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+2H"	2.014552
"570168"	486.942776	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+2H"	2.014552
"1041519"	162.985776	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2H"	2.014552
"210150"	216.978609333333	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+3H"	3.021828
"648617"	324.964276	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+3H"	3.021828
"1175133"	108.992942666667	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+3H"	3.021828
"424920"	665.947823	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+NH4"	18.033823
"787365"	989.904823	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+NH4"	18.033823
"1684064"	341.990823	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+NH4"	18.033823
"330049"	333.4775495	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+H+NH4"	19.041099
"724759"	495.4560495	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+H+NH4"	19.041099
"1479310"	171.4990495	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H+NH4"	19.041099
"395800"	670.903218	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+Na"	22.989218
"756066"	994.860218	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+Na"	22.989218
"1603312"	346.946218	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Na"	22.989218
"314689"	335.955247	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+H+Na"	23.996494
"707838"	497.933747	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+H+Na"	23.996494
"1462021"	173.976747	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H+Na"	23.996494
"1055883"	116.320256666667	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2H+Na"	25.00377
"1260842"	356.990486	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+CH3OH+H"	33.033486
"381605"	686.877158	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+K"	38.963158
"744060"	1010.834158	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+K"	38.963158
"1542465"	362.920158	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+K"	38.963158
"300368"	343.942217	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+H+K"	39.970434
"693516"	505.920717	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+H+K"	39.970434
"1447095"	181.963717	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H+K"	39.970434
"236670"	689.947826	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+ACN+H"	42.033826
"1212665"	365.990826	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+ACN+H"	42.033826
"1196916"	183.499051	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+ACN+2H"	43.041102
"191244"	692.88516	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+2Na-H"	44.97116
"630441"	1016.84216	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+2Na-H"	44.97116
"1133946"	368.92816	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2Na-H"	44.97116
"179063"	346.946218	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+2Na"	45.978436
"618627"	508.924718	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+2Na"	45.978436
"1117879"	184.967718	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2Na"	45.978436
"1399336"	123.647570666667	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H+2Na"	46.985712
"1431569"	370.969746	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H+HCOOH"	47.012746
"221625"	351.97924	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+3H2O+2H"	56.04448
"1510053"	385.02179	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+IsoProp+H"	61.06479
"410470"	354.933188	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+Na+K"	61.952376
"771834"	516.911688	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+Na+K"	61.952376
"1666460"	192.954688	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Na+K"	61.952376
"253229"	711.929768	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+ACN+Na"	64.015768
"1226301"	387.972768	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+ACN+Na"	64.015768
"1717379"	387.996293	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+NH4+HCOOH"	64.039293
"1183830"	130.974884666667	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+3Na"	68.967654
"1660290"	392.951688	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Na+HCOOH"	68.994688
"167155"	724.83304	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+2K-H"	76.91904
"611090"	1048.79004	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+2K-H"	76.91904
"1098644"	400.87604	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2K-H"	76.91904
"154605"	362.920158	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"2M+2K"	77.926316
"596233"	524.898658	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"3M+2K"	77.926316
"1083418"	200.941658	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2K"	77.926316
"1114804"	402.890592	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2K+H"	78.933592
"1350095"	402.978207	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+DMSO+H"	79.021207
"1015709"	407.017376	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2ACN+H"	83.060376
"1533835"	408.011008	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+IsoProp+Na+H"	84.054008
"997003"	204.012326	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+2ACN+2H"	84.067652
"1589320"	408.925628	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+K+HCOOH"	84.968628
"1421541"	438.957138	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+H+CF3COOH"	115.000138
"1151831"	224.525601	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+3ACN+2H"	125.094202
"1701382"	455.983685	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+NH4+CF3COOH"	132.026685
"1645782"	460.93908	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+Na+CF3COOH"	136.98208
"1575964"	476.91302	"C14869"	"Trichloroethanol glucuronide;Urochloralic acid;222-Trichloroethyl beta-D-glucopyranosiduronic acid"	"C8H11Cl3O7"	"323.957"	"M+K+CF3COOH"	152.95602
"815077"	121.9367	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M"	0
"987518"	102.91831	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-H2O-H"	-19.01839
"77590"	80.2838573333333	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M-3H"	-3.021828
"518170"	120.929424	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M-3H"	-3.021828
"886572"	39.6382906666667	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-3H"	-3.021828
"8426"	120.929424	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M-2H"	-2.014552
"451267"	181.897774	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M-2H"	-2.014552
"830161"	59.961074	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-2H"	-2.014552
"87966"	242.866124	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M-H"	-1.007276
"528621"	364.802824	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M-H"	-1.007276
"899864"	120.929424	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-H"	-1.007276
"60674"	259.892671	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M-2H+NH4"	16.019271
"493796"	381.829371	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M-2H+NH4"	16.019271
"871597"	137.955971	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-2H+NH4"	16.019271
"34756"	264.848066	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M-2H+Na"	20.974666
"479061"	386.784766	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M-2H+Na"	20.974666
"857956"	142.911366	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-2H+Na"	20.974666
"1627490"	142.911366	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Na-2H"	20.974666
"105111"	138.917763	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M-H+Cl"	33.962126
"545767"	199.886113	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M-H+Cl"	33.962126
"938189"	77.949413	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-H+Cl"	33.962126
"280026"	278.842802	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+Cl"	34.969402
"672820"	400.779502	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+Cl"	34.969402
"1283761"	156.906102	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Cl"	34.969402
"25225"	280.822006	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M-2H+K"	36.948606
"462598"	402.758706	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M-2H+K"	36.948606
"842587"	158.885306	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-2H+K"	36.948606
"1563888"	158.885306	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+K-2H"	36.948606
"951771"	166.934894	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-H+HCOOH"	44.998194
"369988"	288.871601	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+HCOOH-H"	44.998201
"350953"	302.887251	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+Hac-H"	59.013851
"1497233"	180.950551	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Hac-H"	59.013851
"968062"	188.916851	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-H+NaCOOH"	66.980151
"116965"	156.906102	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+2Cl"	69.938804
"561635"	217.874452	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+2Cl"	69.938804
"1032984"	95.937752	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2Cl"	69.938804
"1252560"	200.855585	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Br"	78.918885
"1310636"	202.911572	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Cl+HCOOH"	80.974872
"1325944"	224.893529	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Cl+NaCOOH"	102.956829
"919190"	234.922286	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M-H+CF3COOH"	112.985586
"1292620"	270.898964	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Cl+CF3COOH"	148.962264
"1375155"	86.924024	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H-2H2O"	-35.012676
"1392652"	104.934	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H-H2O"	-17.0027
"287963"	244.880676	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+H"	1.007276
"681480"	366.817376	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+H"	1.007276
"1359652"	122.943976	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H"	1.007276
"129625"	122.943976	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+2H"	2.014552
"569185"	183.912326	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+2H"	2.014552
"1039078"	61.975626	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2H"	2.014552
"206980"	82.2984093333333	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+3H"	3.021828
"646905"	122.943976	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+3H"	3.021828
"1169047"	41.6528426666667	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+3H"	3.021828
"427947"	261.907223	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+NH4"	18.033823
"786056"	383.843923	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+NH4"	18.033823
"1685631"	139.970523	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+NH4"	18.033823
"332455"	131.4572495	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+H+NH4"	19.041099
"724872"	192.4255995	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+H+NH4"	19.041099
"1477716"	70.4888995	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H+NH4"	19.041099
"395182"	266.862618	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+Na"	22.989218
"756540"	388.799318	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+Na"	22.989218
"1602975"	144.925918	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Na"	22.989218
"314423"	133.934947	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+H+Na"	23.996494
"707209"	194.903297	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+H+Na"	23.996494
"1461934"	72.966597	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H+Na"	23.996494
"1054535"	48.9801566666667	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2H+Na"	25.00377
"1259860"	154.970186	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+CH3OH+H"	33.033486
"380257"	282.836558	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+K"	38.963158
"740890"	404.773258	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+K"	38.963158
"1540994"	160.899858	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+K"	38.963158
"299144"	141.921917	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+H+K"	39.970434
"691564"	202.890267	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+H+K"	39.970434
"1447450"	80.953567	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H+K"	39.970434
"235969"	285.907226	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+ACN+H"	42.033826
"1212408"	163.970526	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+ACN+H"	42.033826
"1195932"	82.488901	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+ACN+2H"	43.041102
"190991"	288.84456	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+2Na-H"	44.97116
"632374"	410.78126	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+2Na-H"	44.97116
"1136976"	166.90786	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2Na-H"	44.97116
"176987"	144.925918	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+2Na"	45.978436
"617642"	205.894268	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+2Na"	45.978436
"1116647"	83.957568	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2Na"	45.978436
"1399564"	56.3074706666667	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H+2Na"	46.985712
"1431308"	168.949446	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H+HCOOH"	47.012746
"220520"	149.95894	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+3H2O+2H"	56.04448
"1509798"	183.00149	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+IsoProp+H"	61.06479
"409853"	152.912888	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+Na+K"	61.952376
"771337"	213.881238	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+Na+K"	61.952376
"1666933"	91.944538	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Na+K"	61.952376
"254060"	307.889168	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+ACN+Na"	64.015768
"1226527"	185.952468	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+ACN+Na"	64.015768
"1714571"	185.975993	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+NH4+HCOOH"	64.039293
"1179925"	63.6347846666667	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+3Na"	68.967654
"1663680"	190.931388	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Na+HCOOH"	68.994688
"167265"	320.79244	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+2K-H"	76.91904
"611200"	442.72914	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+2K-H"	76.91904
"1098876"	198.85574	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2K-H"	76.91904
"154715"	160.899858	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"2M+2K"	77.926316
"596222"	221.868208	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"3M+2K"	77.926316
"1083286"	99.931508	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2K"	77.926316
"1115039"	200.870292	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2K+H"	78.933592
"1350453"	200.957907	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+DMSO+H"	79.021207
"1014726"	204.997076	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2ACN+H"	83.060376
"1535039"	205.990708	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+IsoProp+Na+H"	84.054008
"1001488"	103.002176	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+2ACN+2H"	84.067652
"1590523"	206.905328	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+K+HCOOH"	84.968628
"1418371"	236.936838	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+H+CF3COOH"	115.000138
"1150847"	123.515451	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+3ACN+2H"	125.094202
"1700399"	253.963385	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+NH4+CF3COOH"	132.026685
"1642612"	258.91878	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+Na+CF3COOH"	136.98208
"1576074"	274.89272	"C14870"	"2-Bromoacetaldehyde"	"C2H3BrO"	"121.9367"	"M+K+CF3COOH"	152.95602
"802187"	349.0944	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M"	0
"985442"	330.07601	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-H2O-H"	-19.01839
"78293"	231.722324	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M-3H"	-3.021828
"518427"	348.087124	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M-3H"	-3.021828
"889962"	115.357524	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-3H"	-3.021828
"12911"	348.087124	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M-2H"	-2.014552
"454294"	522.634324	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M-2H"	-2.014552
"829181"	173.539924	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-2H"	-2.014552
"91358"	697.181524	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M-H"	-1.007276
"531651"	1046.275924	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M-H"	-1.007276
"909450"	348.087124	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-H"	-1.007276
"58718"	714.208071	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M-2H+NH4"	16.019271
"502169"	1063.302471	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M-2H+NH4"	16.019271
"877175"	365.113671	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-2H+NH4"	16.019271
"36327"	719.163466	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M-2H+Na"	20.974666
"479171"	1068.257866	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M-2H+Na"	20.974666
"856972"	370.069066	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-2H+Na"	20.974666
"1623226"	370.069066	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Na-2H"	20.974666
"105221"	366.075463	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M-H+Cl"	33.962126
"546971"	540.622663	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M-H+Cl"	33.962126
"938299"	191.528263	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-H+Cl"	33.962126
"281595"	733.158202	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+Cl"	34.969402
"672563"	1082.252602	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+Cl"	34.969402
"1286425"	384.063802	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Cl"	34.969402
"28615"	735.137406	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M-2H+K"	36.948606
"463802"	1084.231806	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M-2H+K"	36.948606
"840510"	386.043006	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-2H+K"	36.948606
"1567278"	386.043006	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+K-2H"	36.948606
"954797"	394.092594	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-H+HCOOH"	44.998194
"369004"	743.187001	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+HCOOH-H"	44.998201
"353981"	757.202651	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+Hac-H"	59.013851
"1499533"	408.108251	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Hac-H"	59.013851
"964890"	416.074551	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-H+NaCOOH"	66.980151
"119262"	384.063802	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+2Cl"	69.938804
"561743"	558.611002	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+2Cl"	69.938804
"1032000"	209.516602	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2Cl"	69.938804
"1252672"	428.013285	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Br"	78.918885
"1311839"	430.069272	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Cl+HCOOH"	80.974872
"1328242"	452.051229	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Cl+NaCOOH"	102.956829
"914927"	462.079986	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M-H+CF3COOH"	112.985586
"1293824"	498.056664	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Cl+CF3COOH"	148.962264
"1376359"	314.081724	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H-2H2O"	-35.012676
"1392764"	332.0917	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H-H2O"	-17.0027
"287345"	699.196076	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+H"	1.007276
"685600"	1048.290476	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+H"	1.007276
"1360126"	350.101676	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H"	1.007276
"134476"	350.101676	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+2H"	2.014552
"571484"	524.648876	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+2H"	2.014552
"1040283"	175.554476	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2H"	2.014552
"208184"	233.736876	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+3H"	3.021828
"647745"	350.101676	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+3H"	3.021828
"1171344"	117.372076	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+3H"	3.021828
"430244"	716.222623	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+NH4"	18.033823
"790141"	1065.317023	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+NH4"	18.033823
"1683559"	367.128223	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+NH4"	18.033823
"336943"	358.6149495	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+H+NH4"	19.041099
"722931"	533.1621495	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+H+NH4"	19.041099
"1477193"	184.0677495	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H+NH4"	19.041099
"392981"	721.178018	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+Na"	22.989218
"754417"	1070.272418	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+Na"	22.989218
"1602845"	372.083618	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Na"	22.989218
"314416"	361.092647	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+H+Na"	23.996494
"707148"	535.639847	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+H+Na"	23.996494
"1461802"	186.545447	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H+Na"	23.996494
"1054280"	124.69939	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2H+Na"	25.00377
"1258877"	382.127886	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+CH3OH+H"	33.033486
"381826"	737.151958	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+K"	38.963158
"741729"	1086.246358	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+K"	38.963158
"1540619"	388.057558	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+K"	38.963158
"299980"	369.079617	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+H+K"	39.970434
"692403"	543.626817	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+H+K"	39.970434
"1446832"	194.532417	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H+K"	39.970434
"236403"	740.222626	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+ACN+H"	42.033826
"1212153"	391.128226	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+ACN+H"	42.033826
"1195069"	196.067751	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+ACN+2H"	43.041102
"190738"	743.15996	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+2Na-H"	44.97116
"629933"	1092.25436	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+2Na-H"	44.97116
"1132347"	394.06556	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2Na-H"	44.97116
"173098"	372.083618	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+2Na"	45.978436
"613208"	546.630818	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+2Na"	45.978436
"1115865"	197.536418	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2Na"	45.978436
"1399304"	132.026704	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H+2Na"	46.985712
"1429952"	396.107146	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H+HCOOH"	47.012746
"220145"	377.11664	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+3H2O+2H"	56.04448
"1508722"	410.15919	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+IsoProp+H"	61.06479
"408593"	380.070588	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+Na+K"	61.952376
"770225"	554.617788	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+Na+K"	61.952376
"1665944"	205.523388	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Na+K"	61.952376
"251466"	762.204568	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+ACN+Na"	64.015768
"1226521"	413.110168	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+ACN+Na"	64.015768
"1715775"	413.133693	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+NH4+HCOOH"	64.039293
"1179306"	139.354018	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+3Na"	68.967654
"1662698"	418.089088	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Na+HCOOH"	68.994688
"166281"	775.10784	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+2K-H"	76.91904
"612242"	1124.20224	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+2K-H"	76.91904
"1098623"	426.01344	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2K-H"	76.91904
"156653"	388.057558	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"2M+2K"	77.926316
"594386"	562.604758	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"3M+2K"	77.926316
"1083640"	213.510358	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2K"	77.926316
"1115148"	428.027992	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2K+H"	78.933592
"1351090"	428.115607	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+DMSO+H"	79.021207
"1014836"	432.154776	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2ACN+H"	83.060376
"1534056"	433.148408	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+IsoProp+Na+H"	84.054008
"1003662"	216.581026	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+2ACN+2H"	84.067652
"1591726"	434.063028	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+K+HCOOH"	84.968628
"1422854"	464.094538	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+H+CF3COOH"	115.000138
"1150957"	237.094301	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+3ACN+2H"	125.094202
"1699415"	481.121085	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+NH4+CF3COOH"	132.026685
"1643814"	486.07648	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+Na+CF3COOH"	136.98208
"1576184"	502.05042	"C14871"	"S-(Formylmethyl)glutathione"	"C12H19N3O7S"	"349.0944"	"M+K+CF3COOH"	152.95602
"805456"	149.9987	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M"	0
"984459"	130.98031	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-H2O-H"	-19.01839
"73799"	98.9918573333333	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M-3H"	-3.021828
"517984"	148.991424	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M-3H"	-3.021828
"892259"	48.9922906666667	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-3H"	-3.021828
"14842"	148.991424	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M-2H"	-2.014552
"454404"	223.990774	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M-2H"	-2.014552
"826011"	73.992074	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-2H"	-2.014552
"88188"	298.990124	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M-H"	-1.007276
"528845"	448.988824	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M-H"	-1.007276
"907377"	148.991424	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-H"	-1.007276
"60290"	316.016671	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M-2H+NH4"	16.019271
"497297"	466.015371	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M-2H+NH4"	16.019271
"869631"	166.017971	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-2H+NH4"	16.019271
"34251"	320.972066	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M-2H+Na"	20.974666
"476000"	470.970766	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M-2H+Na"	20.974666
"854895"	170.973366	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-2H+Na"	20.974666
"1625522"	170.973366	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Na-2H"	20.974666
"102050"	166.979763	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M-H+Cl"	33.962126
"547083"	241.979113	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M-H+Cl"	33.962126
"938412"	91.980413	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-H+Cl"	33.962126
"280613"	334.966802	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+Cl"	34.969402
"671580"	484.965502	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+Cl"	34.969402
"1286538"	184.968102	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Cl"	34.969402
"27635"	336.946006	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M-2H+K"	36.948606
"466098"	486.944706	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M-2H+K"	36.948606
"840621"	186.947306	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-2H+K"	36.948606
"1567390"	186.947306	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+K-2H"	36.948606
"951992"	194.996894	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-H+HCOOH"	44.998194
"370208"	344.995601	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+HCOOH-H"	44.998201
"351173"	359.011251	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+Hac-H"	59.013851
"1502923"	209.012551	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Hac-H"	59.013851
"965001"	216.978851	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-H+NaCOOH"	66.980151
"120469"	184.968102	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+2Cl"	69.938804
"558938"	259.967452	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+2Cl"	69.938804
"1032111"	109.968752	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2Cl"	69.938804
"1255701"	228.917585	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Br"	78.918885
"1311951"	230.973572	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Cl+HCOOH"	80.974872
"1328355"	252.955529	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Cl+NaCOOH"	102.956829
"920507"	262.984286	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M-H+CF3COOH"	112.985586
"1295029"	298.960964	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Cl+CF3COOH"	148.962264
"1375377"	114.986024	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H-2H2O"	-35.012676
"1392875"	132.996	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H-H2O"	-17.0027
"291466"	301.004676	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+H"	1.007276
"681701"	451.003376	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+H"	1.007276
"1359142"	151.005976	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H"	1.007276
"137867"	151.005976	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+2H"	2.014552
"575969"	226.005326	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+2H"	2.014552
"1043311"	76.006626	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2H"	2.014552
"209390"	101.006409333333	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+3H"	3.021828
"651137"	151.005976	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+3H"	3.021828
"1173643"	51.0068426666667	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+3H"	3.021828
"432541"	318.031223	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+NH4"	18.033823
"792440"	468.029923	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+NH4"	18.033823
"1683669"	168.032523	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+NH4"	18.033823
"337053"	159.5192495	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+H+NH4"	19.041099
"726193"	234.5185995	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+H+NH4"	19.041099
"1484386"	84.5198995	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H+NH4"	19.041099
"392842"	322.986618	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+Na"	22.989218
"755065"	472.985318	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+Na"	22.989218
"1603278"	172.987918	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Na"	22.989218
"314278"	161.996947	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+H+Na"	23.996494
"707171"	236.996297	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+H+Na"	23.996494
"1461871"	86.997597	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H+Na"	23.996494
"1054029"	58.3341566666667	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2H+Na"	25.00377
"1258987"	183.032186	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+CH3OH+H"	33.033486
"379383"	338.960558	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+K"	38.963158
"739407"	488.959258	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+K"	38.963158
"1540970"	188.961858	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+K"	38.963158
"299360"	169.983917	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+H+K"	39.970434
"692757"	244.983267	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+H+K"	39.970434
"1446941"	94.984567	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H+K"	39.970434
"236638"	342.031226	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+ACN+H"	42.033826
"1211171"	192.032526	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+ACN+H"	42.033826
"1195785"	96.519901	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+ACN+2H"	43.041102
"190237"	344.96856	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+2Na-H"	44.97116
"631136"	494.96726	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+2Na-H"	44.97116
"1139384"	194.96986	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2Na-H"	44.97116
"173562"	172.987918	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+2Na"	45.978436
"612886"	247.987268	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+2Na"	45.978436
"1115654"	97.988568	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2Na"	45.978436
"1398729"	65.6614706666667	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H+2Na"	46.985712
"1430266"	197.011446	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H+HCOOH"	47.012746
"220284"	178.02094	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+3H2O+2H"	56.04448
"1508617"	211.06349	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+IsoProp+H"	61.06479
"409011"	180.974888	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+Na+K"	61.952376
"770656"	255.974238	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+Na+K"	61.952376
"1665844"	105.975538	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Na+K"	61.952376
"251489"	364.013168	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+ACN+Na"	64.015768
"1226145"	214.014468	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+ACN+Na"	64.015768
"1715885"	214.037993	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+NH4+HCOOH"	64.039293
"1182332"	72.9887846666667	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+3Na"	68.967654
"1664998"	218.993388	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Na+HCOOH"	68.994688
"172595"	376.91644	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+2K-H"	76.91904
"612641"	526.91514	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+2K-H"	76.91904
"1098731"	226.91774	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2K-H"	76.91904
"157121"	188.961858	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"2M+2K"	77.926316
"595476"	263.961208	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"3M+2K"	77.926316
"1081206"	113.962508	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2K"	77.926316
"1115381"	228.932292	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2K+H"	78.933592
"1350674"	229.019907	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+DMSO+H"	79.021207
"1017132"	233.059076	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2ACN+H"	83.060376
"1533073"	234.052708	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+IsoProp+Na+H"	84.054008
"1005113"	117.033176	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+2ACN+2H"	84.067652
"1594023"	234.967328	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+K+HCOOH"	84.968628
"1421871"	264.998838	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+H+CF3COOH"	115.000138
"1149974"	137.546451	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+3ACN+2H"	125.094202
"1700619"	282.025385	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+NH4+CF3COOH"	132.026685
"1643924"	286.98078	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+Na+CF3COOH"	136.98208
"1576294"	302.95472	"C14872"	"Thiodiacetic acid"	"C4H6O4S"	"149.9987"	"M+K+CF3COOH"	152.95602
"805566"	165.9936	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M"	0
"985662"	146.97521	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-H2O-H"	-19.01839
"70628"	109.655124	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M-3H"	-3.021828
"508002"	164.986324	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M-3H"	-3.021828
"893829"	54.323924	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-3H"	-3.021828
"13862"	164.986324	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M-2H"	-2.014552
"453058"	247.983124	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M-2H"	-2.014552
"828309"	81.989524	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-2H"	-2.014552
"90486"	330.979924	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M-H"	-1.007276
"528954"	496.973524	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M-H"	-1.007276
"906757"	164.986324	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-H"	-1.007276
"58213"	348.006471	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M-2H+NH4"	16.019271
"498867"	514.000071	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M-2H+NH4"	16.019271
"865368"	182.012871	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-2H+NH4"	16.019271
"38736"	352.961866	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M-2H+Na"	20.974666
"473923"	518.955466	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M-2H+Na"	20.974666
"852819"	186.968266	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-2H+Na"	20.974666
"1625632"	186.968266	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Na-2H"	20.974666
"104347"	182.974663	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M-H+Cl"	33.962126
"545372"	265.971463	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M-H+Cl"	33.962126
"938522"	99.977863	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-H+Cl"	33.962126
"279266"	366.956602	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+Cl"	34.969402
"673513"	532.950202	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+Cl"	34.969402
"1288320"	200.963002	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Cl"	34.969402
"30792"	368.935806	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M-2H+K"	36.948606
"470959"	534.929406	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M-2H+K"	36.948606
"845473"	202.942206	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-2H+K"	36.948606
"1569327"	202.942206	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+K-2H"	36.948606
"953197"	210.991794	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-H+HCOOH"	44.998194
"371410"	376.985401	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+HCOOH-H"	44.998201
"356022"	391.001051	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+Hac-H"	59.013851
"1505223"	225.007451	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Hac-H"	59.013851
"968391"	232.973751	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-H+NaCOOH"	66.980151
"124592"	200.963002	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+2Cl"	69.938804
"560506"	283.959802	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+2Cl"	69.938804
"1034409"	117.966202	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2Cl"	69.938804
"1252892"	244.912485	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Br"	78.918885
"1315342"	246.968472	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Cl+HCOOH"	80.974872
"1328465"	268.950429	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Cl+NaCOOH"	102.956829
"917336"	278.979186	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M-H+CF3COOH"	112.985586
"1296231"	314.955864	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Cl+CF3COOH"	148.962264
"1377309"	130.980924	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H-2H2O"	-35.012676
"1392985"	148.9909	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H-H2O"	-17.0027
"290482"	332.994476	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+H"	1.007276
"683633"	498.988076	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+H"	1.007276
"1358888"	167.000876	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H"	1.007276
"138341"	167.000876	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+2H"	2.014552
"575715"	249.997676	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+2H"	2.014552
"1045607"	84.004076	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2H"	2.014552
"210593"	111.669676	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+3H"	3.021828
"652340"	167.000876	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+3H"	3.021828
"1163534"	56.338476	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+3H"	3.021828
"432651"	350.021023	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+NH4"	18.033823
"788177"	516.014623	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+NH4"	18.033823
"1686695"	184.027423	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+NH4"	18.033823
"340443"	175.5141495	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+H+NH4"	19.041099
"730677"	258.5109495	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+H+NH4"	19.041099
"1481216"	92.5173495	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H+NH4"	19.041099
"393209"	354.976418	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+Na"	22.989218
"755660"	520.970018	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+Na"	22.989218
"1603880"	188.982818	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Na"	22.989218
"314761"	177.991847	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+H+Na"	23.996494
"707505"	260.988647	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+H+Na"	23.996494
"1461856"	94.995047	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H+Na"	23.996494
"1056325"	63.66579	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2H+Na"	25.00377
"1259097"	199.027086	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+CH3OH+H"	33.033486
"381316"	370.950358	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+K"	38.963158
"740855"	536.943958	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+K"	38.963158
"1542902"	204.956758	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+K"	38.963158
"300806"	185.978817	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+H+K"	39.970434
"693600"	268.975617	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+H+K"	39.970434
"1447295"	102.982017	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H+K"	39.970434
"237479"	374.021026	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+ACN+H"	42.033826
"1212131"	208.027426	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+ACN+H"	42.033826
"1195895"	104.517351	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+ACN+2H"	43.041102
"191321"	376.95836	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+2Na-H"	44.97116
"631610"	542.95196	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+2Na-H"	44.97116
"1137307"	210.96476	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2Na-H"	44.97116
"174765"	188.982818	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+2Na"	45.978436
"615056"	271.979618	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+2Na"	45.978436
"1116739"	105.986018	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2Na"	45.978436
"1399044"	70.993104	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H+2Na"	46.985712
"1430789"	213.006346	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H+HCOOH"	47.012746
"220725"	194.01584	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+3H2O+2H"	56.04448
"1509109"	227.05839	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+IsoProp+H"	61.06479
"409568"	196.969788	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+Na+K"	61.952376
"770403"	279.966588	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+Na+K"	61.952376
"1666527"	113.972988	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Na+K"	61.952376
"252116"	396.002968	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+ACN+Na"	64.015768
"1226123"	230.009368	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+ACN+Na"	64.015768
"1713681"	230.032893	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+NH4+HCOOH"	64.039293
"1182442"	78.320418	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+3Na"	68.967654
"1662916"	234.988288	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Na+HCOOH"	68.994688
"167595"	408.90624	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+2K-H"	76.91904
"611529"	574.89984	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+2K-H"	76.91904
"1099445"	242.91264	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2K-H"	76.91904
"152857"	204.956758	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"2M+2K"	77.926316
"594614"	287.953558	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"3M+2K"	77.926316
"1081799"	121.959958	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2K"	77.926316
"1113429"	244.927192	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2K+H"	78.933592
"1350297"	245.014807	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+DMSO+H"	79.021207
"1010685"	249.053976	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2ACN+H"	83.060376
"1529902"	250.047608	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+IsoProp+Na+H"	84.054008
"1001817"	125.030626	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+2ACN+2H"	84.067652
"1591946"	250.962228	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+K+HCOOH"	84.968628
"1418700"	280.993738	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+H+CF3COOH"	115.000138
"1151176"	145.543901	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+3ACN+2H"	125.094202
"1701822"	298.020285	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+NH4+CF3COOH"	132.026685
"1644034"	302.97568	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+Na+CF3COOH"	136.98208
"1575311"	318.94962	"C14873"	"Thiodiacetic acid sulfoxide"	"C4H6O5S"	"165.9936"	"M+K+CF3COOH"	152.95602
"808957"	334.1073	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M"	0
"986868"	315.08891	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-H2O-H"	-19.01839
"74019"	221.730924	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M-3H"	-3.021828
"517913"	333.100024	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M-3H"	-3.021828
"895034"	110.361824	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-3H"	-3.021828
"13974"	333.100024	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M-2H"	-2.014552
"452441"	500.153674	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M-2H"	-2.014552
"825137"	166.046374	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-2H"	-2.014552
"89867"	667.207324	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M-H"	-1.007276
"530520"	1001.314624	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M-H"	-1.007276
"908321"	333.100024	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-H"	-1.007276
"54678"	684.233871	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M-2H+NH4"	16.019271
"496424"	1018.341171	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M-2H+NH4"	16.019271
"866571"	350.126571	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-2H+NH4"	16.019271
"35566"	689.189266	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M-2H+Na"	20.974666
"475127"	1023.296566	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M-2H+Na"	20.974666
"855116"	355.081966	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-2H+Na"	20.974666
"1625743"	355.081966	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Na-2H"	20.974666
"106645"	351.088363	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M-H+Cl"	33.962126
"545483"	518.142013	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M-H+Cl"	33.962126
"941310"	184.034713	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-H+Cl"	33.962126
"281324"	703.184002	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+Cl"	34.969402
"674110"	1037.291302	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+Cl"	34.969402
"1287869"	369.076702	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Cl"	34.969402
"31193"	705.163206	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M-2H+K"	36.948606
"470830"	1039.270506	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M-2H+K"	36.948606
"847038"	371.055906	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-2H+K"	36.948606
"1569434"	371.055906	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+K-2H"	36.948606
"955132"	379.105494	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-H+HCOOH"	44.998194
"371522"	713.212801	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+HCOOH-H"	44.998201
"355405"	727.228451	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+Hac-H"	59.013851
"1503876"	393.121151	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Hac-H"	59.013851
"971056"	401.087451	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-H+NaCOOH"	66.980151
"118501"	369.076702	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+2Cl"	69.938804
"564752"	536.130352	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+2Cl"	69.938804
"1033062"	202.023052	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2Cl"	69.938804
"1255922"	413.026185	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Br"	78.918885
"1316910"	415.082172	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Cl+HCOOH"	80.974872
"1328939"	437.064129	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Cl+NaCOOH"	102.956829
"919269"	447.092886	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M-H+CF3COOH"	112.985586
"1303397"	483.069564	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Cl+CF3COOH"	148.962264
"1379607"	299.094624	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H-2H2O"	-35.012676
"1397350"	317.1046	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H-H2O"	-17.0027
"293145"	669.221876	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+H"	1.007276
"685931"	1003.329176	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+H"	1.007276
"1361550"	335.114576	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H"	1.007276
"138087"	335.114576	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+2H"	2.014552
"575826"	502.168226	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+2H"	2.014552
"1045718"	168.060926	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2H"	2.014552
"211796"	223.745476	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+3H"	3.021828
"652450"	335.114576	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+3H"	3.021828
"1162834"	112.376376	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+3H"	3.021828
"438958"	686.248423	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+NH4"	18.033823
"797035"	1020.355723	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+NH4"	18.033823
"1688993"	352.141123	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+NH4"	18.033823
"342740"	343.6278495	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+H+NH4"	19.041099
"730789"	510.6814995	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+H+NH4"	19.041099
"1482421"	176.5741995	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H+NH4"	19.041099
"398911"	691.203818	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+Na"	22.989218
"755894"	1025.311118	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+Na"	22.989218
"1603017"	357.096518	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Na"	22.989218
"314634"	346.105547	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+H+Na"	23.996494
"707538"	513.159197	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+H+Na"	23.996494
"1466468"	179.051897	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H+Na"	23.996494
"1056436"	119.70369	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2H+Na"	25.00377
"1258115"	367.140786	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+CH3OH+H"	33.033486
"378872"	707.177758	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+K"	38.963158
"739503"	1041.285058	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+K"	38.963158
"1541557"	373.070458	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+K"	38.963158
"299336"	354.092517	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+H+K"	39.970434
"693344"	521.146167	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+H+K"	39.970434
"1447166"	187.038867	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H+K"	39.970434
"238320"	710.248426	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+ACN+H"	42.033826
"1212124"	376.141126	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+ACN+H"	42.033826
"1197830"	188.574201	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+ACN+2H"	43.041102
"191433"	713.18576	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+2Na-H"	44.97116
"632818"	1047.29306	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+2Na-H"	44.97116
"1136324"	379.07846	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2Na-H"	44.97116
"175242"	357.096518	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+2Na"	45.978436
"614803"	524.150168	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+2Na"	45.978436
"1120496"	190.042868	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2Na"	45.978436
"1400739"	127.031004	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H+2Na"	46.985712
"1432124"	381.120046	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H+HCOOH"	47.012746
"221577"	362.12954	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+3H2O+2H"	56.04448
"1509515"	395.17209	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+IsoProp+H"	61.06479
"408710"	365.083488	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+Na+K"	61.952376
"771415"	532.137138	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+Na+K"	61.952376
"1665722"	198.029838	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Na+K"	61.952376
"251629"	732.230368	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+ACN+Na"	64.015768
"1225959"	398.123068	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+ACN+Na"	64.015768
"1714283"	398.146593	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+NH4+HCOOH"	64.039293
"1178509"	134.358318	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+3Na"	68.967654
"1663026"	403.101988	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Na+HCOOH"	68.994688
"171954"	745.13364	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+2K-H"	76.91904
"609818"	1079.24094	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+2K-H"	76.91904
"1096151"	411.02634	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2K-H"	76.91904
"154912"	373.070458	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"2M+2K"	77.926316
"594846"	540.124108	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"3M+2K"	77.926316
"1082757"	206.016808	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2K"	77.926316
"1114382"	413.040892	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2K+H"	78.933592
"1349920"	413.128507	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+DMSO+H"	79.021207
"1018937"	417.167676	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2ACN+H"	83.060376
"1528919"	418.161308	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+IsoProp+Na+H"	84.054008
"1000833"	209.087476	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+2ACN+2H"	84.067652
"1592056"	419.075928	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+K+HCOOH"	84.968628
"1420997"	449.107438	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+H+CF3COOH"	115.000138
"1152380"	229.600751	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+3ACN+2H"	125.094202
"1700839"	466.133985	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+NH4+CF3COOH"	132.026685
"1644144"	471.08938	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+Na+CF3COOH"	136.98208
"1575421"	487.06332	"C14874"	"Glutathione episulfonium ion"	"C12H20N3O6S"	"334.1073"	"M+K+CF3COOH"	152.95602
"805786"	351.11	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M"	0
"985882"	332.09161	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-H2O-H"	-19.01839
"67567"	233.066057333333	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M-3H"	-3.021828
"508222"	350.102724	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M-3H"	-3.021828
"893681"	116.029390666667	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-3H"	-3.021828
"14445"	350.102724	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M-2H"	-2.014552
"451816"	525.657724	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M-2H"	-2.014552
"830350"	174.547724	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-2H"	-2.014552
"84143"	701.212724	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M-H"	-1.007276
"529171"	1052.322724	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M-H"	-1.007276
"903692"	350.102724	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-H"	-1.007276
"55879"	718.239271	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M-2H+NH4"	16.019271
"494348"	1069.349271	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M-2H+NH4"	16.019271
"864851"	367.129271	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-2H+NH4"	16.019271
"33853"	723.194666	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M-2H+Na"	20.974666
"472562"	1074.304666	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M-2H+Na"	20.974666
"850851"	372.084666	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-2H+Na"	20.974666
"1623665"	372.084666	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Na-2H"	20.974666
"99100"	368.091063	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M-H+Cl"	33.962126
"545955"	543.646063	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M-H+Cl"	33.962126
"940563"	192.536063	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-H+Cl"	33.962126
"280946"	737.189402	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+Cl"	34.969402
"675068"	1088.299402	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+Cl"	34.969402
"1287974"	386.079402	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Cl"	34.969402
"30290"	739.168606	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M-2H+K"	36.948606
"470817"	1090.278606	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M-2H+K"	36.948606
"846786"	388.058606	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-2H+K"	36.948606
"1569180"	388.058606	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+K-2H"	36.948606
"953055"	396.108194	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-H+HCOOH"	44.998194
"369447"	747.218201	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+HCOOH-H"	44.998201
"354422"	761.233851	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+Hac-H"	59.013851
"1503256"	410.123851	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Hac-H"	59.013851
"970070"	418.090151	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-H+NaCOOH"	66.980151
"117154"	386.079402	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+2Cl"	69.938804
"563888"	561.634402	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+2Cl"	69.938804
"1031349"	210.524402	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2Cl"	69.938804
"1256398"	430.028885	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Br"	78.918885
"1316291"	432.084872	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Cl+HCOOH"	80.974872
"1325405"	454.066829	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Cl+NaCOOH"	102.956829
"917557"	464.095586	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M-H+CF3COOH"	112.985586
"1303382"	500.072264	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Cl+CF3COOH"	148.962264
"1379353"	316.097324	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H-2H2O"	-35.012676
"1397217"	334.1073	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H-H2O"	-17.0027
"289976"	703.227276	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+H"	1.007276
"684219"	1054.337276	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+H"	1.007276
"1360931"	352.117276	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H"	1.007276
"138197"	352.117276	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+2H"	2.014552
"576300"	527.672276	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+2H"	2.014552
"1045099"	176.562276	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2H"	2.014552
"209720"	235.080609333333	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+3H"	3.021828
"651467"	352.117276	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+3H"	3.021828
"1162794"	118.043942666667	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+3H"	3.021828
"438704"	720.253823	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+NH4"	18.033823
"796052"	1071.363823	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+NH4"	18.033823
"1690196"	369.143823	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+NH4"	18.033823
"341757"	360.6305495	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+H+NH4"	19.041099
"729805"	536.1855495	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+H+NH4"	19.041099
"1483624"	185.0755495	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H+NH4"	19.041099
"397928"	725.209218	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+Na"	22.989218
"755640"	1076.319218	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+Na"	22.989218
"1603494"	374.099218	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Na"	22.989218
"314865"	363.108247	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+H+Na"	23.996494
"707202"	538.663247	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+H+Na"	23.996494
"1462811"	187.553247	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H+Na"	23.996494
"1054358"	125.371256666667	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2H+Na"	25.00377
"1258953"	384.143486	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+CH3OH+H"	33.033486
"378253"	741.183158	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+K"	38.963158
"739045"	1092.293158	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+K"	38.963158
"1540451"	390.073158	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+K"	38.963158
"299567"	371.095217	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+H+K"	39.970434
"692114"	546.650217	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+H+K"	39.970434
"1446184"	195.540217	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H+K"	39.970434
"236606"	744.253826	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+ACN+H"	42.033826
"1210894"	393.143826	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+ACN+H"	42.033826
"1196476"	197.075551	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+ACN+2H"	43.041102
"189355"	747.19116	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+2Na-H"	44.97116
"631103"	1098.30116	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+2Na-H"	44.97116
"1136434"	396.08116	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2Na-H"	44.97116
"175352"	374.099218	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+2Na"	45.978436
"614061"	549.654218	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+2Na"	45.978436
"1120606"	198.544218	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2Na"	45.978436
"1401213"	132.698570666667	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H+2Na"	46.985712
"1432234"	398.122746	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H+HCOOH"	47.012746
"222294"	379.13224	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+3H2O+2H"	56.04448
"1508895"	412.17479	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+IsoProp+H"	61.06479
"408703"	382.086188	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+Na+K"	61.952376
"771768"	557.641188	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+Na+K"	61.952376
"1665819"	206.531188	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Na+K"	61.952376
"252185"	766.235768	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+ACN+Na"	64.015768
"1225866"	415.125768	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+ACN+Na"	64.015768
"1714029"	415.149293	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+NH4+HCOOH"	64.039293
"1178690"	140.025884666667	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+3Na"	68.967654
"1663136"	420.104688	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Na+HCOOH"	68.994688
"171091"	779.13904	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+2K-H"	76.91904
"610655"	1130.24904	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+2K-H"	76.91904
"1095165"	428.02904	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2K-H"	76.91904
"155262"	390.073158	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"2M+2K"	77.926316
"594825"	565.628158	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"3M+2K"	77.926316
"1083590"	214.518158	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2K"	77.926316
"1114495"	430.043592	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2K+H"	78.933592
"1350877"	430.131207	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+DMSO+H"	79.021207
"1016370"	434.170376	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2ACN+H"	83.060376
"1534496"	435.164008	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+IsoProp+Na+H"	84.054008
"1000943"	217.588826	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+2ACN+2H"	84.067652
"1591073"	436.078628	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+K+HCOOH"	84.968628
"1420013"	466.110138	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+H+CF3COOH"	115.000138
"1152490"	238.102101	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+3ACN+2H"	125.094202
"1700948"	483.136685	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+NH4+CF3COOH"	132.026685
"1642068"	488.09208	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+Na+CF3COOH"	136.98208
"1575531"	504.06602	"C14875"	"S-(2-Hydroxyethyl)glutathione"	"C12H21N3O7S"	"351.11"	"M+K+CF3COOH"	152.95602
"805896"	207.0565	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M"	0
"984898"	188.03811	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-H2O-H"	-19.01839
"65854"	137.030390666667	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M-3H"	-3.021828
"506509"	206.049224	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M-3H"	-3.021828
"891603"	68.0115573333333	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-3H"	-3.021828
"11274"	206.049224	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M-2H"	-2.014552
"448646"	309.577474	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M-2H"	-2.014552
"828636"	102.520974	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-2H"	-2.014552
"81337"	413.105724	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M-H"	-1.007276
"522721"	620.162224	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M-H"	-1.007276
"900522"	206.049224	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-H"	-1.007276
"55989"	430.132271	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M-2H+NH4"	16.019271
"491178"	637.188771	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M-2H+NH4"	16.019271
"864553"	223.075771	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-2H+NH4"	16.019271
"31486"	435.087666	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M-2H+Na"	20.974666
"472429"	642.144166	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M-2H+Na"	20.974666
"850961"	228.031166	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-2H+Na"	20.974666
"1621588"	228.031166	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Na-2H"	20.974666
"96172"	224.037563	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M-H+Cl"	33.962126
"544241"	327.565813	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M-H+Cl"	33.962126
"939942"	120.509313	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-H+Cl"	33.962126
"282030"	449.082402	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+Cl"	34.969402
"673473"	656.138902	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+Cl"	34.969402
"1288156"	242.025902	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Cl"	34.969402
"31192"	451.061606	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M-2H+K"	36.948606
"470916"	658.118106	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M-2H+K"	36.948606
"847621"	244.005106	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-2H+K"	36.948606
"1565645"	244.005106	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+K-2H"	36.948606
"953528"	252.054694	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-H+HCOOH"	44.998194
"365183"	459.111201	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+HCOOH-H"	44.998201
"348337"	473.126851	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+Hac-H"	59.013851
"1495713"	266.070351	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Hac-H"	59.013851
"962523"	274.036651	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-H+NaCOOH"	66.980151
"117628"	242.025902	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+2Cl"	69.938804
"558284"	345.554152	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+2Cl"	69.938804
"1025992"	138.497652	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2Cl"	69.938804
"1245569"	285.975385	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Br"	78.918885
"1308381"	288.031372	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Cl+HCOOH"	80.974872
"1324421"	310.013329	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Cl+NaCOOH"	102.956829
"918760"	320.042086	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M-H+CF3COOH"	112.985586
"1300209"	356.018764	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Cl+CF3COOH"	148.962264
"1376183"	172.043824	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H-2H2O"	-35.012676
"1397937"	190.0538	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H-H2O"	-17.0027
"290086"	415.120276	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+H"	1.007276
"683601"	622.176776	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+H"	1.007276
"1359948"	208.063776	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H"	1.007276
"132111"	208.063776	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+2H"	2.014552
"573130"	311.592026	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+2H"	2.014552
"1041929"	104.535526	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2H"	2.014552
"209830"	139.044942666667	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+3H"	3.021828
"644649"	208.063776	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+3H"	3.021828
"1163137"	70.0261093333333	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+3H"	3.021828
"436263"	432.146823	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+NH4"	18.033823
"798350"	639.203323	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+NH4"	18.033823
"1691401"	225.090323	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+NH4"	18.033823
"337494"	216.5770495	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+H+NH4"	19.041099
"725906"	320.1052995	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+H+NH4"	19.041099
"1480818"	113.0487995	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H+NH4"	19.041099
"398038"	437.102218	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+Na"	22.989218
"754899"	644.158718	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+Na"	22.989218
"1602775"	230.045718	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Na"	22.989218
"314731"	219.054747	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+H+Na"	23.996494
"707145"	322.582997	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+H+Na"	23.996494
"1461427"	115.526497	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H+Na"	23.996494
"1052958"	77.3534233333333	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2H+Na"	25.00377
"1257273"	240.089986	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+CH3OH+H"	33.033486
"377122"	453.076158	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+K"	38.963158
"738541"	660.132658	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+K"	38.963158
"1539899"	246.019658	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+K"	38.963158
"298680"	227.041717	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+H+K"	39.970434
"691497"	330.569967	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+H+K"	39.970434
"1447387"	123.513467	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H+K"	39.970434
"237809"	456.146826	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+ACN+H"	42.033826
"1210884"	249.090326	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+ACN+H"	42.033826
"1196224"	125.048801	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+ACN+2H"	43.041102
"190557"	459.08416	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+2Na-H"	44.97116
"630118"	666.14066	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+2Na-H"	44.97116
"1136544"	252.02766	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2Na-H"	44.97116
"175704"	230.045718	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+2Na"	45.978436
"613564"	333.573968	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+2Na"	45.978436
"1119623"	126.517468	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2Na"	45.978436
"1400959"	84.6807373333333	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H+2Na"	46.985712
"1432222"	254.069246	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H+HCOOH"	47.012746
"221310"	235.07874	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+3H2O+2H"	56.04448
"1508884"	268.12129	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+IsoProp+H"	61.06479
"408884"	238.032688	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+Na+K"	61.952376
"771149"	341.560938	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+Na+K"	61.952376
"1665735"	134.504438	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Na+K"	61.952376
"251807"	478.128768	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+ACN+Na"	64.015768
"1226057"	271.072268	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+ACN+Na"	64.015768
"1713531"	271.095793	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+NH4+HCOOH"	64.039293
"1178921"	92.0080513333333	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+3Na"	68.967654
"1659966"	276.051188	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Na+HCOOH"	68.994688
"167921"	491.03204	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+2K-H"	76.91904
"609672"	698.08854	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+2K-H"	76.91904
"1097461"	283.97554	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2K-H"	76.91904
"150997"	246.019658	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"2M+2K"	77.926316
"592748"	349.547908	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"3M+2K"	77.926316
"1082727"	142.491408	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2K"	77.926316
"1115092"	285.990092	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2K+H"	78.933592
"1350907"	286.077707	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+DMSO+H"	79.021207
"1020127"	290.116876	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2ACN+H"	83.060376
"1534606"	291.110508	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+IsoProp+Na+H"	84.054008
"1001053"	145.562076	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+2ACN+2H"	84.067652
"1591183"	292.025128	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+K+HCOOH"	84.968628
"1419029"	322.056638	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+H+CF3COOH"	115.000138
"1150412"	166.075351	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+3ACN+2H"	125.094202
"1701058"	339.083185	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+NH4+CF3COOH"	132.026685
"1642178"	344.03858	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+Na+CF3COOH"	136.98208
"1575641"	360.01252	"C14876"	"S-(2-Hydroxyethyl)-N-acetyl-L-cysteine"	"C7H13NO4S"	"207.0565"	"M+K+CF3COOH"	152.95602
"806006"	340.0954	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M"	0
"985373"	321.07701	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-H2O-H"	-19.01839
"65600"	225.722990666667	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M-3H"	-3.021828
"506255"	339.088124	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M-3H"	-3.021828
"890620"	112.357857333333	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-3H"	-3.021828
"11384"	339.088124	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M-2H"	-2.014552
"445475"	509.135824	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M-2H"	-2.014552
"828746"	169.040424	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-2H"	-2.014552
"83270"	679.183524	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M-H"	-1.007276
"522831"	1019.278924	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M-H"	-1.007276
"897473"	339.088124	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-H"	-1.007276
"49539"	696.210071	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M-2H+NH4"	16.019271
"490193"	1036.305471	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M-2H+NH4"	16.019271
"864280"	356.114671	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-2H+NH4"	16.019271
"31502"	701.165466	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M-2H+Na"	20.974666
"473390"	1041.260866	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M-2H+Na"	20.974666
"851071"	361.070066	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-2H+Na"	20.974666
"1620605"	361.070066	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Na-2H"	20.974666
"96040"	357.076463	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M-H+Cl"	33.962126
"542164"	527.124163	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M-H+Cl"	33.962126
"938231"	187.028763	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-H+Cl"	33.962126
"282465"	715.160202	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+Cl"	34.969402
"672127"	1055.255602	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+Cl"	34.969402
"1288309"	375.064802	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Cl"	34.969402
"31264"	717.139406	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M-2H+K"	36.948606
"470621"	1057.234806	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M-2H+K"	36.948606
"846638"	377.044006	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-2H+K"	36.948606
"1563568"	377.044006	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+K-2H"	36.948606
"949265"	385.093594	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-H+HCOOH"	44.998194
"362131"	725.189001	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+HCOOH-H"	44.998201
"347110"	739.204651	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+Hac-H"	59.013851
"1494730"	399.109251	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Hac-H"	59.013851
"962633"	407.075551	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-H+NaCOOH"	66.980151
"119924"	375.064802	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+2Cl"	69.938804
"558394"	545.112502	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+2Cl"	69.938804
"1026098"	205.017102	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2Cl"	69.938804
"1243856"	419.014285	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Br"	78.918885
"1309217"	421.070272	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Cl+HCOOH"	80.974872
"1322344"	443.052229	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Cl+NaCOOH"	102.956829
"917777"	453.080986	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M-H+CF3COOH"	112.985586
"1302507"	489.057664	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Cl+CF3COOH"	148.962264
"1377021"	305.082724	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H-2H2O"	-35.012676
"1395978"	323.0927	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H-H2O"	-17.0027
"287644"	681.198076	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+H"	1.007276
"681159"	1021.293476	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+H"	1.007276
"1359328"	341.102676	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H"	1.007276
"132585"	341.102676	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+2H"	2.014552
"575427"	511.150376	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+2H"	2.014552
"1042039"	171.054976	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2H"	2.014552
"209940"	227.737542666667	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+3H"	3.021828
"644593"	341.102676	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+3H"	3.021828
"1163612"	114.372409333333	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+3H"	3.021828
"436373"	698.224623	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+NH4"	18.033823
"797367"	1038.320023	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+NH4"	18.033823
"1691511"	358.129223	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+NH4"	18.033823
"334323"	349.6159495	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+H+NH4"	19.041099
"725287"	519.6636495	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+H+NH4"	19.041099
"1482751"	179.5682495	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H+NH4"	19.041099
"398148"	703.180018	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+Na"	22.989218
"755009"	1043.275418	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+Na"	22.989218
"1603228"	363.084618	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Na"	22.989218
"316177"	352.093647	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+H+Na"	23.996494
"707990"	522.141347	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+H+Na"	23.996494
"1462175"	182.045947	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H+Na"	23.996494
"1053598"	121.699723333333	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2H+Na"	25.00377
"1257382"	373.128886	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+CH3OH+H"	33.033486
"377663"	719.153958	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+K"	38.963158
"738853"	1059.249358	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+K"	38.963158
"1540217"	379.058558	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+K"	38.963158
"299419"	360.080617	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+H+K"	39.970434
"691484"	530.128317	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+H+K"	39.970434
"1447494"	190.032917	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H+K"	39.970434
"236824"	722.224626	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+ACN+H"	42.033826
"1210386"	382.129226	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+ACN+H"	42.033826
"1195239"	191.568251	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+ACN+2H"	43.041102
"189129"	725.16196	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+2Na-H"	44.97116
"628688"	1065.25736	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+2Na-H"	44.97116
"1136654"	385.06656	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2Na-H"	44.97116
"173419"	363.084618	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+2Na"	45.978436
"612902"	533.132318	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+2Na"	45.978436
"1119733"	193.036918	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2Na"	45.978436
"1401190"	129.027037333333	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H+2Na"	46.985712
"1430059"	387.108146	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H+HCOOH"	47.012746
"220366"	368.11764	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+3H2O+2H"	56.04448
"1508524"	401.16019	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+IsoProp+H"	61.06479
"408614"	371.071588	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+Na+K"	61.952376
"769940"	541.119288	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+Na+K"	61.952376
"1665654"	201.023888	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Na+K"	61.952376
"251714"	744.206568	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+ACN+Na"	64.015768
"1226005"	404.111168	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+ACN+Na"	64.015768
"1713026"	404.134693	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+NH4+HCOOH"	64.039293
"1178827"	136.354351333333	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+3Na"	68.967654
"1653514"	409.090088	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Na+HCOOH"	68.994688
"168031"	757.10984	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+2K-H"	76.91904
"609780"	1097.20524	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+2K-H"	76.91904
"1094291"	417.01444	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2K-H"	76.91904
"154387"	379.058558	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"2M+2K"	77.926316
"593949"	549.106258	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"3M+2K"	77.926316
"1082351"	209.010858	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2K"	77.926316
"1112399"	419.028992	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2K+H"	78.933592
"1349878"	419.116607	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+DMSO+H"	79.021207
"1018778"	423.155776	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2ACN+H"	83.060376
"1534716"	424.149408	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+IsoProp+Na+H"	84.054008
"997883"	212.081526	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+2ACN+2H"	84.067652
"1590199"	425.064028	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+K+HCOOH"	84.968628
"1418046"	455.095538	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+H+CF3COOH"	115.000138
"1150522"	232.594801	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+3ACN+2H"	125.094202
"1702261"	472.122085	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+NH4+CF3COOH"	132.026685
"1643382"	477.07748	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+Na+CF3COOH"	136.98208
"1575751"	493.05142	"C14877"	"S-2-(N7-Guanyl)ethyl-N-acetyl-L-cysteine"	"C12H16N6O4S"	"340.0954"	"M+K+CF3COOH"	152.95602
"806116"	320.2715	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M"	0
"988035"	301.25311	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H2O-H"	-19.01839
"64617"	212.507057333333	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-3H"	-3.021828
"505272"	319.264224	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-3H"	-3.021828
"890730"	105.749890666667	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-3H"	-3.021828
"11494"	319.264224	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H"	-2.014552
"448865"	479.399974	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H"	-2.014552
"826668"	159.128474	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H"	-2.014552
"82651"	639.535724	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-H"	-1.007276
"521118"	959.807224	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-H"	-1.007276
"897826"	319.264224	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H"	-1.007276
"50013"	656.562271	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+NH4"	16.019271
"494677"	976.833771	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+NH4"	16.019271
"864570"	336.290771	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+NH4"	16.019271
"32360"	661.517666	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+Na"	20.974666
"472284"	981.789166	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+Na"	20.974666
"851181"	341.246166	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+Na"	20.974666
"1620715"	341.246166	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na-2H"	20.974666
"96149"	337.252563	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-H+Cl"	33.962126
"544460"	497.388313	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-H+Cl"	33.962126
"939071"	177.116813	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+Cl"	33.962126
"282498"	675.512402	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Cl"	34.969402
"675566"	995.783902	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Cl"	34.969402
"1287443"	355.240902	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl"	34.969402
"30115"	677.491606	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+K"	36.948606
"470653"	997.763106	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+K"	36.948606
"847600"	357.220106	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+K"	36.948606
"1569145"	357.220106	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K-2H"	36.948606
"947188"	365.269694	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+HCOOH"	44.998194
"362487"	685.541201	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+HCOOH-H"	44.998201
"348195"	699.556851	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Hac-H"	59.013851
"1495934"	379.285351	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Hac-H"	59.013851
"964567"	387.251651	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+NaCOOH"	66.980151
"121128"	355.240902	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Cl"	69.938804
"560691"	515.376652	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Cl"	69.938804
"1024750"	195.105152	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Cl"	69.938804
"1245789"	399.190385	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Br"	78.918885
"1308600"	401.246372	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+HCOOH"	80.974872
"1322454"	423.228329	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+NaCOOH"	102.956829
"916794"	433.257086	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+CF3COOH"	112.985586
"1301157"	469.233764	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+CF3COOH"	148.962264
"1377131"	285.258824	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H-2H2O"	-35.012676
"1386975"	303.2688	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H-H2O"	-17.0027
"287753"	641.550276	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H"	1.007276
"682361"	961.821776	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H"	1.007276
"1353363"	321.278776	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H"	1.007276
"131601"	321.278776	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2H"	2.014552
"574442"	481.414526	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2H"	2.014552
"1046522"	161.143026	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2H"	2.014552
"210050"	214.521609333333	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H"	3.021828
"651797"	321.278776	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+3H"	3.021828
"1163844"	107.764442666667	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3H"	3.021828
"438669"	658.576823	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+NH4"	18.033823
"793101"	978.848323	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+NH4"	18.033823
"1691621"	338.305323	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4"	18.033823
"338808"	329.7920495	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+NH4"	19.041099
"727220"	489.9277995	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+NH4"	19.041099
"1485048"	169.6562995	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+NH4"	19.041099
"399351"	663.532218	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na"	22.989218
"763624"	983.803718	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na"	22.989218
"1609536"	343.260718	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na"	22.989218
"318479"	332.269747	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+Na"	23.996494
"713088"	492.405497	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+Na"	23.996494
"1466180"	172.133997	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+Na"	23.996494
"1054685"	115.091756666667	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2H+Na"	25.00377
"1257820"	353.304986	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+CH3OH+H"	33.033486
"378218"	679.506158	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+K"	38.963158
"739576"	999.777658	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+K"	38.963158
"1540256"	359.234658	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K"	38.963158
"299046"	340.256717	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+K"	39.970434
"691674"	500.392467	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+K"	39.970434
"1448337"	180.120967	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+K"	39.970434
"236204"	682.576826	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+H"	42.033826
"1211471"	362.305326	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+H"	42.033826
"1195714"	181.656301	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+2H"	43.041102
"189444"	685.51416	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na-H"	44.97116
"635446"	1005.78566	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na-H"	44.97116
"1141139"	365.24266	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na-H"	44.97116
"175681"	343.260718	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na"	45.978436
"613457"	503.396468	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na"	45.978436
"1117290"	183.124968	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na"	45.978436
"1401179"	122.419070666667	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+2Na"	46.985712
"1430414"	367.284246	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+HCOOH"	47.012746
"222991"	348.29374	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H2O+2H"	56.04448
"1508503"	381.33629	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+H"	61.06479
"408546"	351.247688	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na+K"	61.952376
"770151"	511.383438	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na+K"	61.952376
"1667087"	191.111938	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+K"	61.952376
"251647"	704.558768	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+Na"	64.015768
"1225957"	384.287268	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+Na"	64.015768
"1713141"	384.310793	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+HCOOH"	64.039293
"1179347"	129.746384666667	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3Na"	68.967654
"1657999"	389.266188	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+HCOOH"	68.994688
"167049"	717.46204	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K-H"	76.91904
"608433"	1037.73354	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K-H"	76.91904
"1095495"	397.19054	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K-H"	76.91904
"154497"	359.234658	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K"	77.926316
"592965"	519.370408	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K"	77.926316
"1079666"	199.098908	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K"	77.926316
"1113603"	399.205092	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K+H"	78.933592
"1348166"	399.292707	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+DMSO+H"	79.021207
"1013422"	403.331876	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+H"	83.060376
"1534827"	404.325508	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+Na+H"	84.054008
"999086"	202.169576	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+2H"	84.067652
"1590308"	405.240128	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K+HCOOH"	84.968628
"1417063"	435.271638	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+CF3COOH"	115.000138
"1155007"	222.682851	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3ACN+2H"	125.094202
"1701278"	452.298185	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+CF3COOH"	132.026685
"1641305"	457.25358	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+CF3COOH"	136.98208
"1575861"	473.22752	"C14878"	"6alpha17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K+CF3COOH"	152.95602
"806226"	352.2766	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M"	0
"979760"	333.25821	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-H2O-H"	-19.01839
"65820"	233.843790666667	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M-3H"	-3.021828
"506475"	351.269324	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M-3H"	-3.021828
"884278"	116.418257333333	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-3H"	-3.021828
"3948"	351.269324	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M-2H"	-2.014552
"440345"	527.407624	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M-2H"	-2.014552
"817531"	175.131024	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-2H"	-2.014552
"78980"	703.545924	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M-H"	-1.007276
"519146"	1055.822524	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M-H"	-1.007276
"895741"	351.269324	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-H"	-1.007276
"48168"	720.572471	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M-2H+NH4"	16.019271
"487730"	1072.849071	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M-2H+NH4"	16.019271
"864802"	368.295871	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-2H+NH4"	16.019271
"31975"	725.527866	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M-2H+Na"	20.974666
"472024"	1077.804466	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M-2H+Na"	20.974666
"848974"	373.251266	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-2H+Na"	20.974666
"1618915"	373.251266	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Na-2H"	20.974666
"96257"	369.257663	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M-H+Cl"	33.962126
"540196"	545.395963	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M-H+Cl"	33.962126
"938816"	193.119363	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-H+Cl"	33.962126
"281999"	739.522602	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+Cl"	34.969402
"674417"	1091.799202	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+Cl"	34.969402
"1286940"	387.246002	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Cl"	34.969402
"27309"	741.501806	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M-2H+K"	36.948606
"470151"	1093.778406	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M-2H+K"	36.948606
"847467"	389.225206	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-2H+K"	36.948606
"1567068"	389.225206	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+K-2H"	36.948606
"952762"	397.274794	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-H+HCOOH"	44.998194
"366606"	749.551401	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+HCOOH-H"	44.998201
"350491"	763.567051	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+Hac-H"	59.013851
"1502604"	411.290451	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Hac-H"	59.013851
"965773"	419.256751	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-H+NaCOOH"	66.980151
"119051"	387.246002	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+2Cl"	69.938804
"558612"	563.384302	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+2Cl"	69.938804
"1031787"	211.107702	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2Cl"	69.938804
"1248086"	431.195485	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Br"	78.918885
"1311260"	433.251472	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Cl+HCOOH"	80.974872
"1325844"	455.233429	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Cl+NaCOOH"	102.956829
"916902"	465.262186	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M-H+CF3COOH"	112.985586
"1297987"	501.238864	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Cl+CF3COOH"	148.962264
"1373961"	317.263924	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H-2H2O"	-35.012676
"1390365"	335.2739	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H-H2O"	-17.0027
"291143"	705.560476	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+H"	1.007276
"682471"	1057.837076	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+H"	1.007276
"1358817"	353.283876	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H"	1.007276
"132804"	353.283876	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+2H"	2.014552
"573459"	529.422176	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+2H"	2.014552
"1045539"	177.145576	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2H"	2.014552
"210160"	235.858342666667	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+3H"	3.021828
"648627"	353.283876	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+3H"	3.021828
"1164563"	118.432809333333	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+3H"	3.021828
"437321"	722.587023	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+NH4"	18.033823
"798315"	1074.863623	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+NH4"	18.033823
"1692824"	370.310423	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+NH4"	18.033823
"340010"	361.7971495	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+H+NH4"	19.041099
"729152"	537.9354495	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+H+NH4"	19.041099
"1485158"	185.6588495	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H+NH4"	19.041099
"396181"	727.542418	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+Na"	22.989218
"763734"	1079.819018	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+Na"	22.989218
"1607459"	375.265818	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Na"	22.989218
"319682"	364.274847	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+H+Na"	23.996494
"713198"	540.413147	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+H+Na"	23.996494
"1467020"	188.136547	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H+Na"	23.996494
"1055888"	125.760123333333	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2H+Na"	25.00377
"1259027"	385.310086	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+CH3OH+H"	33.033486
"380515"	743.516358	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+K"	38.963158
"740053"	1095.792958	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+K"	38.963158
"1541382"	391.239758	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+K"	38.963158
"300009"	372.261817	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+H+K"	39.970434
"692070"	548.400117	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+H+K"	39.970434
"1448448"	196.123517	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H+K"	39.970434
"236678"	746.587026	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+ACN+H"	42.033826
"1211945"	394.310426	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+ACN+H"	42.033826
"1195827"	197.658851	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+ACN+2H"	43.041102
"189791"	749.52436	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+2Na-H"	44.97116
"631301"	1101.80096	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+2Na-H"	44.97116
"1142707"	397.24776	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2Na-H"	44.97116
"173721"	375.265818	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+2Na"	45.978436
"613515"	551.404118	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+2Na"	45.978436
"1119953"	199.127518	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2Na"	45.978436
"1401289"	133.087437333333	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H+2Na"	46.985712
"1430037"	399.289346	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H+HCOOH"	47.012746
"223101"	380.29884	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+3H2O+2H"	56.04448
"1508967"	413.34139	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+IsoProp+H"	61.06479
"409264"	383.252788	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+Na+K"	61.952376
"770871"	559.391088	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+Na+K"	61.952376
"1667805"	207.114488	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Na+K"	61.952376
"251574"	768.568968	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+ACN+Na"	64.015768
"1226187"	416.292368	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+ACN+Na"	64.015768
"1712831"	416.315893	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+NH4+HCOOH"	64.039293
"1180549"	140.414751333333	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+3Na"	68.967654
"1653734"	421.271288	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Na+HCOOH"	68.994688
"161689"	781.47224	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+2K-H"	76.91904
"606718"	1133.74884	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+2K-H"	76.91904
"1093417"	429.19564	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2K-H"	76.91904
"148046"	391.239758	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"2M+2K"	77.926316
"588700"	567.378058	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"3M+2K"	77.926316
"1075398"	215.101458	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2K"	77.926316
"1112983"	431.210192	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2K+H"	78.933592
"1343900"	431.297807	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+DMSO+H"	79.021207
"1015717"	435.336976	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2ACN+H"	83.060376
"1534937"	436.330608	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+IsoProp+Na+H"	84.054008
"995916"	218.172126	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+2ACN+2H"	84.067652
"1588232"	437.245228	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+K+HCOOH"	84.968628
"1415351"	467.276738	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+H+CF3COOH"	115.000138
"1154024"	238.685401	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+3ACN+2H"	125.094202
"1699565"	484.303285	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+NH4+CF3COOH"	132.026685
"1642508"	489.25868	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+Na+CF3COOH"	136.98208
"1575971"	505.23262	"C14879"	"17-Methyl-3-(24-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol"	"C25H36O"	"352.2766"	"M+K+CF3COOH"	152.95602
"806336"	438.2406	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M"	0
"979870"	419.22221	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-H2O-H"	-19.01839
"71397"	291.153124	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M-3H"	-3.021828
"513145"	437.233324	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M-3H"	-3.021828
"881472"	145.072924	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-3H"	-3.021828
"2965"	437.233324	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M-2H"	-2.014552
"440579"	656.353624	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M-2H"	-2.014552
"817889"	218.113024	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-2H"	-2.014552
"79224"	875.473924	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M-H"	-1.007276
"518899"	1313.714524	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M-H"	-1.007276
"896090"	437.233324	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-H"	-1.007276
"48037"	892.500471	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M-2H+NH4"	16.019271
"487721"	1330.741071	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M-2H+NH4"	16.019271
"865157"	454.259871	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-2H+NH4"	16.019271
"32335"	897.455866	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M-2H+Na"	20.974666
"472990"	1335.696466	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M-2H+Na"	20.974666
"851401"	459.215266	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-2H+Na"	20.974666
"1623120"	459.215266	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Na-2H"	20.974666
"98554"	455.221663	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M-H+Cl"	33.962126
"541399"	674.341963	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M-H+Cl"	33.962126
"938926"	236.101363	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-H+Cl"	33.962126
"282695"	911.450602	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+Cl"	34.969402
"675011"	1349.691202	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+Cl"	34.969402
"1287050"	473.210002	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Cl"	34.969402
"28148"	913.429806	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M-2H+K"	36.948606
"471116"	1351.670406	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M-2H+K"	36.948606
"848430"	475.189206	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-2H+K"	36.948606
"1567178"	475.189206	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+K-2H"	36.948606
"952872"	483.238794	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-H+HCOOH"	44.998194
"366716"	921.479401	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+HCOOH-H"	44.998201
"350601"	935.495051	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+Hac-H"	59.013851
"1499433"	497.254451	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Hac-H"	59.013851
"964788"	505.220751	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-H+NaCOOH"	66.980151
"118068"	473.210002	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+2Cl"	69.938804
"557628"	692.330302	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+2Cl"	69.938804
"1032991"	254.089702	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2Cl"	69.938804
"1247102"	517.159485	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Br"	78.918885
"1307364"	519.215472	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Cl+HCOOH"	80.974872
"1324861"	541.197429	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Cl+NaCOOH"	102.956829
"918107"	551.226186	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M-H+CF3COOH"	112.985586
"1295909"	587.202864	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Cl+CF3COOH"	148.962264
"1374071"	403.227924	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H-2H2O"	-35.012676
"1387195"	421.2379	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H-H2O"	-17.0027
"285058"	877.488476	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+H"	1.007276
"678209"	1315.729076	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+H"	1.007276
"1356742"	439.247876	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H"	1.007276
"132914"	439.247876	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+2H"	2.014552
"573569"	658.368176	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+2H"	2.014552
"1048931"	220.127576	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2H"	2.014552
"215739"	293.167676	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+3H"	3.021828
"654206"	439.247876	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+3H"	3.021828
"1170142"	147.087476	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+3H"	3.021828
"435608"	894.515023	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+NH4"	18.033823
"795509"	1332.755623	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+NH4"	18.033823
"1690748"	456.274423	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+NH4"	18.033823
"340120"	447.7611495	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+H+NH4"	19.041099
"730354"	666.8814495	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+H+NH4"	19.041099
"1485269"	228.6408495	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H+NH4"	19.041099
"398480"	899.470418	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+Na"	22.989218
"761662"	1337.711018	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+Na"	22.989218
"1607205"	461.229818	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Na"	22.989218
"319793"	450.238847	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+H+Na"	23.996494
"715496"	669.359147	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+H+Na"	23.996494
"1467130"	231.118547	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H+Na"	23.996494
"1054543"	154.41479	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2H+Na"	25.00377
"1259138"	471.274086	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+CH3OH+H"	33.033486
"380630"	915.444358	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+K"	38.963158
"740165"	1353.684958	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+K"	38.963158
"1541125"	477.203758	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+K"	38.963158
"300850"	458.225817	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+H+K"	39.970434
"693278"	677.346117	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+H+K"	39.970434
"1452568"	239.105517	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H+K"	39.970434
"235937"	918.515026	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+ACN+H"	42.033826
"1213877"	480.274426	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+ACN+H"	42.033826
"1197760"	240.640851	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+ACN+2H"	43.041102
"190149"	921.45236	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+2Na-H"	44.97116
"636758"	1359.69296	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+2Na-H"	44.97116
"1141361"	483.21176	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2Na-H"	44.97116
"176265"	461.229818	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+2Na"	45.978436
"613345"	680.350118	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+2Na"	45.978436
"1124437"	242.109518	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2Na"	45.978436
"1406867"	161.742104	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H+2Na"	46.985712
"1432422"	485.253346	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H+HCOOH"	47.012746
"222117"	466.26284	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+3H2O+2H"	56.04448
"1509204"	499.30539	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+IsoProp+H"	61.06479
"410228"	469.216788	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+Na+K"	61.952376
"773409"	688.337088	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+Na+K"	61.952376
"1670833"	250.096488	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Na+K"	61.952376
"253712"	940.496968	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+ACN+Na"	64.015768
"1226424"	502.256368	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+ACN+Na"	64.015768
"1714215"	502.279893	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+NH4+HCOOH"	64.039293
"1182482"	169.069418	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+3Na"	68.967654
"1651657"	507.235288	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Na+HCOOH"	68.994688
"160705"	953.40024	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+2K-H"	76.91904
"600628"	1391.64084	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+2K-H"	76.91904
"1088057"	515.15964	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2K-H"	76.91904
"151437"	477.203758	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"2M+2K"	77.926316
"588810"	696.324058	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"3M+2K"	77.926316
"1072231"	258.083458	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2K"	77.926316
"1109815"	517.174192	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2K+H"	78.933592
"1346198"	517.261807	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+DMSO+H"	79.021207
"1013640"	521.300976	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2ACN+H"	83.060376
"1532859"	522.294608	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+IsoProp+Na+H"	84.054008
"996027"	261.154126	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+2ACN+2H"	84.067652
"1587243"	523.209228	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+K+HCOOH"	84.968628
"1420564"	553.240738	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+H+CF3COOH"	115.000138
"1154133"	281.667401	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+3ACN+2H"	125.094202
"1705871"	570.267285	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+NH4+CF3COOH"	132.026685
"1646992"	575.22268	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+Na+CF3COOH"	136.98208
"1576081"	591.19662	"C14880"	"16alpha17-Dihydroxypregn-4-ene-320-dione cyclic acetal with 2-furyl methyl ketone"	"C27H34O5"	"438.2406"	"M+K+CF3COOH"	152.95602
"806446"	330.2195	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M"	0
"979980"	311.20111	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"68228"	219.139057333333	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"512162"	329.212224	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"881218"	109.065890666667	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"5263"	329.212224	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"441172"	494.321974	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"817633"	164.102474	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"79698"	659.431724	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"520474"	989.651224	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"896447"	329.212224	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"48880"	676.458271	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"488561"	1006.677771	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"865271"	346.238771	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"32445"	681.413666	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"472979"	1011.633166	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"851508"	351.194166	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1623229"	351.194166	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"98664"	347.200563	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"542599"	512.310313	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"935025"	182.090813	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"280874"	695.408402	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"675202"	1025.627902	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1287973"	365.188902	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"27164"	697.387606	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"470373"	1027.607106	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"848137"	367.168106	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1569475"	367.168106	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"945694"	375.217694	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"364273"	705.437201	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"353991"	719.452851	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1498449"	389.233351	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"963807"	397.199651	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"118181"	365.188902	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"556644"	530.298652	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1027635"	200.079152	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1246119"	409.138385	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1308930"	411.194372	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1322785"	433.176329	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"920405"	443.205086	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1294926"	479.181764	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1377462"	295.206824	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1387306"	313.2168	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"291365"	661.446276	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"681599"	991.665776	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1355759"	331.226776	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"133025"	331.226776	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"572586"	496.336526	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1046854"	166.117026	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"216942"	221.153609333333	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"653223"	331.226776	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1168066"	111.080442666667	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"426968"	678.472823	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"792338"	1008.692323	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1687575"	348.253323	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"334760"	339.7400495	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"728639"	504.8497995	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1483190"	174.6302995	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"398954"	683.428218	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"763959"	1013.647718	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1604765"	353.208718	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"322091"	342.217747	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"716699"	507.327497	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1467240"	177.107997	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1057569"	118.407756666667	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1259977"	363.252986	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"378552"	699.402158	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"738695"	1029.621658	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1540507"	369.182658	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"300231"	350.204717	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"691928"	515.314467	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1445673"	185.094967	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"238360"	702.472826	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1213989"	372.253326	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1196778"	186.630301	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"189653"	705.41016	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"635775"	1035.62966	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1141470"	375.19066	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"176375"	353.208718	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"614596"	518.318468	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1122360"	188.098968	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1405883"	125.735070666667	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1432896"	377.232246	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"222591"	358.24174	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1509312"	391.28429	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"411431"	361.195688	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"773153"	526.305438	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1667665"	196.085938	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"257107"	724.454768	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1227261"	394.235268	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1713475"	394.258793	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1182592"	133.062384666667	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1659422"	399.214188	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"164098"	737.35804	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"602564"	1067.57754	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1088169"	407.13854	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"149360"	369.182658	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"586734"	534.292408	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1074527"	204.072908	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1107736"	409.153092	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1343028"	409.240707	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1012657"	413.279876	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1531876"	414.273508	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"998324"	207.143576	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1587597"	415.188128	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1421767"	445.219638	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1154243"	227.656851	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1705981"	462.246185	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1649169"	467.20158	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1576191"	483.17552	"C14881"	"17-Hydroxy-3-oxo-19-nor-5alpha17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"804369"	306.2559	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M"	0
"976810"	287.23751	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"73804"	203.163324	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"512272"	305.248624	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"886796"	101.078024	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"7559"	305.248624	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"442744"	458.376574	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"819081"	152.120674	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"80538"	611.504524	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"519002"	917.760424	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"895906"	305.248624	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"48262"	628.531071	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"487581"	934.786971	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"865262"	322.275171	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"34257"	633.486466	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"472726"	939.742366	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"853804"	327.230566	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1623339"	327.230566	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"100960"	323.236963	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"540522"	476.364913	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"935135"	170.109013	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"281348"	647.481202	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"673405"	953.737102	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1283624"	341.225302	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"24358"	649.460406	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"469023"	955.716306	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"844637"	343.204506	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1567396"	343.204506	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"949811"	351.254094	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"366930"	657.510001	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"349723"	671.525651	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1506212"	365.269751	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"965009"	373.236051	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"113916"	341.225302	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"555664"	494.353252	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1031024"	188.097352	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1250604"	385.174785	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1305760"	387.230772	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1322895"	409.212729	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"920515"	419.241486	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1295036"	455.218164	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1377572"	271.243224	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1387416"	289.2532	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"291475"	613.519076	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"680616"	919.774976	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1358055"	307.263176	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"133135"	307.263176	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"572696"	460.391126	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1045871"	154.135226	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"212677"	205.177876	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"653333"	307.263176	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1169269"	103.092576	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"427078"	630.545623	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"793541"	936.801523	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1685498"	324.289723	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"334870"	315.7764495	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"725469"	468.9043995	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1480384"	162.6484995	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"395417"	635.501018	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"757509"	941.756918	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1604875"	329.245118	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"319285"	318.254147	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"719969"	471.382097	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1465526"	165.126197	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1054762"	110.41989	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1258994"	339.289386	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"377934"	651.474958	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"738761"	957.730858	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1540252"	345.219058	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"299976"	326.241117	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"692038"	479.369067	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1446219"	173.113167	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"237008"	654.545626	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1211058"	348.289726	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1195793"	174.648501	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"188743"	657.48296	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"629685"	963.73886	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1140485"	351.22706	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"181589"	329.245118	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"617503"	482.373068	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1119187"	176.117168	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1405627"	117.747204	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1434098"	353.268646	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"221971"	334.27814	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1508585"	367.32069	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"410812"	337.232088	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"771076"	490.360038	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1667775"	184.104138	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"257217"	676.527568	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1227007"	370.271668	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1713464"	370.295193	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1182337"	125.074518	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1656252"	375.250588	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"160928"	689.43084	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"601580"	995.68674	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1088643"	383.17494	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"146916"	345.219058	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"586843"	498.347008	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1073544"	192.091108	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1106753"	385.189492	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1343138"	385.277107	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1017139"	389.316276	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1534171"	390.309908	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"999528"	195.161776	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1587833"	391.224528	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1418597"	421.256038	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1154353"	215.675051	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1706091"	438.282585	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1649036"	443.23798	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1576301"	459.21192	"C14882"	"2alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"809947"	340.2414	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M"	0
"983481"	321.22301	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H2O-H"	-19.01839
"71729"	225.820324	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-3H"	-3.021828
"509104"	339.234124	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-3H"	-3.021828
"885813"	112.406524	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-3H"	-3.021828
"2203"	339.234124	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H"	-2.014552
"442854"	509.354824	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H"	-2.014552
"817094"	169.113424	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H"	-2.014552
"79555"	679.475524	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-H"	-1.007276
"518544"	1019.716924	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-H"	-1.007276
"895698"	339.234124	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H"	-1.007276
"47190"	696.502071	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H+NH4"	16.019271
"488665"	1036.743471	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H+NH4"	16.019271
"864436"	356.260671	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H+NH4"	16.019271
"32544"	701.457466	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H+Na"	20.974666
"476114"	1041.698866	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H+Na"	20.974666
"855011"	361.216066	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H+Na"	20.974666
"1621264"	361.216066	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na-2H"	20.974666
"98884"	357.222463	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-H+Cl"	33.962126
"537352"	527.343163	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-H+Cl"	33.962126
"939620"	187.101763	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+Cl"	33.962126
"276718"	715.452202	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Cl"	34.969402
"674981"	1055.693602	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+Cl"	34.969402
"1287385"	375.210802	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl"	34.969402
"25559"	717.431406	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M-2H+K"	36.948606
"464759"	1057.672806	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M-2H+K"	36.948606
"839644"	377.190006	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-2H+K"	36.948606
"1560945"	377.190006	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K-2H"	36.948606
"947732"	385.239594	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+HCOOH"	44.998194
"367041"	725.481001	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+HCOOH-H"	44.998201
"350926"	739.496651	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Hac-H"	59.013851
"1498666"	399.255251	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Hac-H"	59.013851
"965114"	407.221551	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+NaCOOH"	66.980151
"122774"	375.210802	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2Cl"	69.938804
"557960"	545.331502	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2Cl"	69.938804
"1031133"	205.090102	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2Cl"	69.938804
"1245246"	419.160285	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Br"	78.918885
"1306602"	421.216272	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl+HCOOH"	80.974872
"1328473"	443.198229	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl+NaCOOH"	102.956829
"917344"	453.226986	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M-H+CF3COOH"	112.985586
"1295146"	489.203664	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Cl+CF3COOH"	148.962264
"1377682"	305.228724	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H-2H2O"	-35.012676
"1387526"	323.2387	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H-H2O"	-17.0027
"291585"	681.490076	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H"	1.007276
"682912"	1021.731476	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H"	1.007276
"1363634"	341.248676	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H"	1.007276
"133245"	341.248676	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2H"	2.014552
"573899"	511.369376	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2H"	2.014552
"1045981"	171.127976	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2H"	2.014552
"212788"	227.834876	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+3H"	3.021828
"656723"	341.248676	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+3H"	3.021828
"1169379"	114.421076	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+3H"	3.021828
"427188"	698.516623	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+NH4"	18.033823
"791464"	1038.758023	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+NH4"	18.033823
"1684514"	358.275223	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+NH4"	18.033823
"334980"	349.7619495	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H+NH4"	19.041099
"723510"	519.8826495	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H+NH4"	19.041099
"1477698"	179.6412495	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+NH4"	19.041099
"395527"	703.472018	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Na"	22.989218
"756525"	1043.713418	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+Na"	22.989218
"1603890"	363.230618	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na"	22.989218
"322311"	352.239647	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H+Na"	23.996494
"715827"	522.360347	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H+Na"	23.996494
"1467460"	182.118947	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+Na"	23.996494
"1058881"	121.74839	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2H+Na"	25.00377
"1259468"	373.274886	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+CH3OH+H"	33.033486
"378773"	719.445958	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+K"	38.963158
"738792"	1059.687358	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+K"	38.963158
"1540726"	379.204558	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K"	38.963158
"299961"	360.226617	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+H+K"	39.970434
"692389"	530.347317	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+H+K"	39.970434
"1447057"	190.105917	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+K"	39.970434
"237846"	722.516626	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+ACN+H"	42.033826
"1210924"	382.275226	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+ACN+H"	42.033826
"1197360"	191.641251	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+ACN+2H"	43.041102
"189504"	725.45396	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2Na-H"	44.97116
"628982"	1065.69536	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2Na-H"	44.97116
"1140595"	385.21256	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2Na-H"	44.97116
"180606"	363.230618	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2Na"	45.978436
"619073"	533.351318	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2Na"	45.978436
"1120391"	193.109918	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2Na"	45.978436
"1402822"	129.075704	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+2Na"	46.985712
"1432750"	387.254146	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+HCOOH"	47.012746
"224634"	368.26364	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+3H2O+2H"	56.04448
"1512697"	401.30619	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+IsoProp+H"	61.06479
"413109"	371.217588	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+Na+K"	61.952376
"772647"	541.338288	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+Na+K"	61.952376
"1666099"	201.096888	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na+K"	61.952376
"252947"	744.498568	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+ACN+Na"	64.015768
"1227846"	404.257168	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+ACN+Na"	64.015768
"1715273"	404.280693	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+NH4+HCOOH"	64.039293
"1180990"	136.403018	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+3Na"	68.967654
"1651622"	409.236088	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na+HCOOH"	68.994688
"161036"	757.40184	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2K-H"	76.91904
"601690"	1097.64324	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2K-H"	76.91904
"1087660"	417.16044	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2K-H"	76.91904
"145570"	379.204558	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"2M+2K"	77.926316
"584768"	549.325258	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"3M+2K"	77.926316
"1072561"	209.083858	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2K"	77.926316
"1107956"	419.174992	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2K+H"	78.933592
"1343248"	419.262607	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+DMSO+H"	79.021207
"1017249"	423.301776	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2ACN+H"	83.060376
"1535375"	424.295408	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+IsoProp+Na+H"	84.054008
"1001463"	212.154526	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+2ACN+2H"	84.067652
"1593048"	425.210028	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K+HCOOH"	84.968628
"1420895"	455.241538	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+H+CF3COOH"	115.000138
"1156650"	232.667801	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+3ACN+2H"	125.094202
"1706201"	472.268085	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+NH4+CF3COOH"	132.026685
"1648782"	477.22348	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+Na+CF3COOH"	136.98208
"1576411"	493.19742	"C14883"	"(3beta5alpha11beta17beta)-9-Fluoro-17-methylandrostane-31117-triol;9-Fluoro-17alpha-methyl-5alpha-androstane-3beta11beta17-triol"	"C20H33FO3"	"340.2414"	"M+K+CF3COOH"	152.95602
"803860"	289.1678	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M"	0
"978123"	270.14941	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"76213"	191.771257333333	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"515775"	288.160524	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"888112"	95.3819906666667	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"12156"	288.160524	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"444057"	432.744424	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"817603"	143.576624	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"81853"	577.328324	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"518975"	866.496124	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"895968"	288.160524	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"47754"	594.354871	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"490962"	883.522671	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"864863"	305.187071	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"32045"	599.310266	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"472945"	888.478066	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"857307"	310.142466	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1621374"	310.142466	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"101180"	306.148863	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"537462"	450.732763	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"939000"	161.564963	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"277921"	613.305002	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"675335"	902.472802	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1288415"	324.137202	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"27856"	615.284206	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"465962"	904.452006	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"840849"	326.116406	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1560688"	326.116406	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"947114"	334.165994	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"370434"	623.333801	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"355047"	637.349451	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1502424"	348.181651	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"967778"	356.147951	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"124830"	324.137202	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"555885"	468.721102	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1031244"	179.553302	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1248636"	368.086685	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1309990"	370.142672	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1328583"	392.124629	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"917454"	402.153386	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1298536"	438.130064	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1377792"	254.155124	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1394197"	272.1651	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"293884"	579.342876	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"684118"	868.510676	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1359372"	290.175076	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"128982"	290.175076	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"569634"	434.758976	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1048277"	145.591176	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"208522"	193.785809333333	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"654644"	290.175076	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1167302"	97.3965426666667	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"432765"	596.369423	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"794855"	885.537223	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1687905"	307.201623	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"337277"	298.6883495	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"724229"	443.2722495	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1480968"	154.1044495	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"395272"	601.324818	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"762103"	890.492618	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1606189"	312.157018	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"319143"	301.166047	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"710469"	445.749947	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1465018"	156.582147	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1056806"	104.723856666667	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1262495"	322.201286	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"379609"	617.298758	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"739999"	906.466558	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1544119"	328.130958	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"300560"	309.153017	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"692986"	453.736917	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1447653"	164.569117	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"237958"	620.369426	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1211156"	331.201626	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1197106"	166.104451	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"189979"	623.30676	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"630264"	912.47456	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1140705"	334.13896	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"179621"	312.157018	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"622464"	456.740918	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1123784"	167.573118	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1407308"	112.051170666667	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1435413"	336.180546	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"225108"	317.19004	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1517183"	350.23259	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"411399"	320.143988	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"773852"	464.727888	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1668726"	175.560088	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"255249"	642.351368	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1227956"	353.183568	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1715019"	353.207093	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1181101"	119.378484666667	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1656472"	358.162488	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"163335"	655.25464	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"606175"	944.42244	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1088499"	366.08684	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"145315"	328.130958	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"584878"	472.714858	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1072671"	183.547058	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1108066"	368.101392	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1341171"	368.189007	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1016265"	372.228176	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1535122"	373.221808	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"1004489"	186.617726	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1596438"	374.136428	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1423192"	404.167938	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1154573"	207.131001	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1704124"	421.194485	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1649256"	426.14988	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1577614"	442.12382	"C14884"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"810167"	332.1788	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M"	0
"983701"	313.16041	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H2O-H"	-19.01839
"75230"	220.445257333333	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-3H"	-3.021828
"514790"	331.171524	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-3H"	-3.021828
"888222"	109.718990666667	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-3H"	-3.021828
"5706"	331.171524	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H"	-2.014552
"446355"	497.260924	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H"	-2.014552
"818201"	165.082124	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H"	-2.014552
"81964"	663.350324	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-H"	-1.007276
"520430"	995.529124	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-H"	-1.007276
"897260"	331.171524	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H"	-1.007276
"47292"	680.376871	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H+NH4"	16.019271
"489248"	1012.555671	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H+NH4"	16.019271
"864340"	348.198071	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H+NH4"	16.019271
"31743"	685.332266	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H+Na"	20.974666
"472807"	1017.511066	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H+Na"	20.974666
"854137"	353.153466	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H+Na"	20.974666
"1623669"	353.153466	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na-2H"	20.974666
"98009"	349.159863	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-H+Cl"	33.962126
"538665"	515.249263	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-H+Cl"	33.962126
"939838"	183.070463	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+Cl"	33.962126
"278395"	699.327002	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Cl"	34.969402
"675083"	1031.505802	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+Cl"	34.969402
"1287123"	367.148202	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl"	34.969402
"27968"	701.306206	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H+K"	36.948606
"468989"	1033.485006	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H+K"	36.948606
"837679"	369.127406	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H+K"	36.948606
"1560799"	369.127406	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K-2H"	36.948606
"947954"	377.176994	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+HCOOH"	44.998194
"370543"	709.355801	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+HCOOH-H"	44.998201
"352241"	723.371451	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Hac-H"	59.013851
"1502899"	391.192651	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Hac-H"	59.013851
"964242"	399.158951	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+NaCOOH"	66.980151
"121170"	367.148202	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2Cl"	69.938804
"559276"	533.237602	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2Cl"	69.938804
"1031355"	201.058802	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2Cl"	69.938804
"1252027"	411.097685	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Br"	78.918885
"1309010"	413.153672	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl+HCOOH"	80.974872
"1331974"	435.135629	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl+NaCOOH"	102.956829
"926313"	445.164386	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+CF3COOH"	112.985586
"1295368"	481.141064	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl+CF3COOH"	148.962264
"1375715"	297.166124	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H-2H2O"	-35.012676
"1388839"	315.1761	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H-H2O"	-17.0027
"288526"	665.364876	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H"	1.007276
"687509"	997.543676	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H"	1.007276
"1360577"	333.186076	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H"	1.007276
"129456"	333.186076	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2H"	2.014552
"577402"	499.275476	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2H"	2.014552
"1045107"	167.096676	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2H"	2.014552
"216288"	222.459809333333	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+3H"	3.021828
"655851"	333.186076	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+3H"	3.021828
"1176161"	111.733542666667	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+3H"	3.021828
"429594"	682.391423	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+NH4"	18.033823
"787065"	1014.570223	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+NH4"	18.033823
"1682911"	350.212623	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+NH4"	18.033823
"331552"	341.6993495	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H+NH4"	19.041099
"723851"	507.7887495	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H+NH4"	19.041099
"1477669"	175.6099495	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+NH4"	19.041099
"394286"	687.346818	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Na"	22.989218
"755646"	1019.525618	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+Na"	22.989218
"1606298"	355.168018	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na"	22.989218
"316333"	344.177047	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H+Na"	23.996494
"709485"	510.266447	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H+Na"	23.996494
"1464034"	178.087647	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+Na"	23.996494
"1057279"	119.060856666667	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2H+Na"	25.00377
"1258961"	365.212286	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+CH3OH+H"	33.033486
"378626"	703.320758	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+K"	38.963158
"739500"	1035.499558	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+K"	38.963158
"1540703"	371.141958	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K"	38.963158
"299583"	352.164017	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H+K"	39.970434
"692367"	518.253417	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H+K"	39.970434
"1445821"	186.074617	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+K"	39.970434
"236247"	706.391426	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+ACN+H"	42.033826
"1210059"	374.212626	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+ACN+H"	42.033826
"1194420"	187.609951	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+ACN+2H"	43.041102
"194831"	709.32876	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2Na-H"	44.97116
"636942"	1041.50756	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2Na-H"	44.97116
"1139722"	377.14996	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2Na-H"	44.97116
"179366"	355.168018	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2Na"	45.978436
"623668"	521.257418	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2Na"	45.978436
"1126080"	189.078618	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2Na"	45.978436
"1410334"	126.388170666667	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+2Na"	46.985712
"1434793"	379.191546	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+HCOOH"	47.012746
"228137"	360.20104	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+3H2O+2H"	56.04448
"1520574"	393.24359	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+IsoProp+H"	61.06479
"414793"	363.154988	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Na+K"	61.952376
"774692"	529.244388	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+Na+K"	61.952376
"1668836"	197.065588	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na+K"	61.952376
"256453"	728.373368	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+ACN+Na"	64.015768
"1229525"	396.194568	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+ACN+Na"	64.015768
"1715859"	396.218093	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+NH4+HCOOH"	64.039293
"1180847"	133.715484666667	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+3Na"	68.967654
"1656582"	401.173488	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na+HCOOH"	68.994688
"167092"	741.27664	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2K-H"	76.91904
"606285"	1073.45544	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2K-H"	76.91904
"1089337"	409.09784	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2K-H"	76.91904
"145062"	371.141958	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2K"	77.926316
"584988"	537.231358	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2K"	77.926316
"1079342"	205.052558	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2K"	77.926316
"1105989"	411.112392	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2K+H"	78.933592
"1345655"	411.200007	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+DMSO+H"	79.021207
"1017839"	415.239176	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2ACN+H"	83.060376
"1537788"	416.232808	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+IsoProp+Na+H"	84.054008
"1001317"	208.123226	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2ACN+2H"	84.067652
"1595454"	417.147428	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K+HCOOH"	84.968628
"1420023"	447.178938	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+CF3COOH"	115.000138
"1153590"	228.636501	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+3ACN+2H"	125.094202
"1704234"	464.205485	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+NH4+CF3COOH"	132.026685
"1645352"	469.16088	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na+CF3COOH"	136.98208
"1583189"	485.13482	"C14885"	"9-Fluoro-11beta-hydroxy-16beta-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K+CF3COOH"	152.95602
"804809"	304.1839	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M"	0
"983811"	285.16551	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H2O-H"	-19.01839
"77893"	201.781990666667	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-3H"	-3.021828
"518490"	303.176624	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-3H"	-3.021828
"895258"	100.387357333333	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-3H"	-3.021828
"14925"	303.176624	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H"	-2.014552
"453028"	455.268574	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H"	-2.014552
"831557"	151.084674	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H"	-2.014552
"86449"	607.360524	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-H"	-1.007276
"527102"	911.544424	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-H"	-1.007276
"907092"	303.176624	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H"	-1.007276
"54904"	624.387071	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H+NH4"	16.019271
"495558"	928.570971	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H+NH4"	16.019271
"867893"	320.203171	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H+NH4"	16.019271
"41262"	629.342466	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H+Na"	20.974666
"476448"	933.526366	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H+Na"	20.974666
"853156"	325.158566	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H+Na"	20.974666
"1624877"	325.158566	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na-2H"	20.974666
"101404"	321.164963	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-H+Cl"	33.962126
"543152"	473.256913	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-H+Cl"	33.962126
"939950"	169.073013	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+Cl"	33.962126
"282615"	643.337202	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Cl"	34.969402
"675112"	947.521102	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+Cl"	34.969402
"1288393"	339.153302	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl"	34.969402
"29905"	645.316406	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H+K"	36.948606
"462176"	949.500306	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H+K"	36.948606
"848336"	341.132506	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H+K"	36.948606
"1560185"	341.132506	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K-2H"	36.948606
"952439"	349.182094	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+HCOOH"	44.998194
"367377"	653.366001	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+HCOOH-H"	44.998201
"351259"	667.381651	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Hac-H"	59.013851
"1500092"	363.197751	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Hac-H"	59.013851
"971279"	371.164051	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+NaCOOH"	66.980151
"124200"	339.153302	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2Cl"	69.938804
"561576"	491.245252	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2Cl"	69.938804
"1031466"	187.061352	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2Cl"	69.938804
"1252868"	383.102785	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Br"	78.918885
"1317503"	385.158772	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl+HCOOH"	80.974872
"1335246"	407.140729	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl+NaCOOH"	102.956829
"926305"	417.169486	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+CF3COOH"	112.985586
"1302038"	453.146164	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl+CF3COOH"	148.962264
"1371454"	269.171224	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H-2H2O"	-35.012676
"1391136"	287.1812	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H-H2O"	-17.0027
"290823"	609.375076	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H"	1.007276
"684338"	913.558976	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H"	1.007276
"1361780"	305.191176	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H"	1.007276
"140139"	305.191176	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2H"	2.014552
"577514"	457.283126	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2H"	2.014552
"1046314"	153.099226	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2H"	2.014552
"211301"	203.796542666667	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+3H"	3.021828
"649766"	305.191176	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+3H"	3.021828
"1169713"	102.401909333333	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+3H"	3.021828
"427882"	626.401623	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+NH4"	18.033823
"787174"	930.585523	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+NH4"	18.033823
"1682653"	322.217723	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+NH4"	18.033823
"332392"	313.7044495	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H+NH4"	19.041099
"723718"	465.7963995	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H+NH4"	19.041099
"1479727"	161.6124995	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+NH4"	19.041099
"395856"	631.357018	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Na"	22.989218
"760131"	935.540918	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+Na"	22.989218
"1611511"	327.173118	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na"	22.989218
"322641"	316.182147	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H+Na"	23.996494
"717251"	468.274097	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H+Na"	23.996494
"1465237"	164.090197	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+Na"	23.996494
"1057754"	109.729223333333	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2H+Na"	25.00377
"1260894"	337.217386	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+CH3OH+H"	33.033486
"378375"	647.330958	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+K"	38.963158
"740828"	951.514858	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+K"	38.963158
"1543246"	343.147058	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K"	38.963158
"301515"	324.169117	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H+K"	39.970434
"693211"	476.261067	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H+K"	39.970434
"1447761"	172.077167	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+K"	39.970434
"237458"	650.401626	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+ACN+H"	42.033826
"1213813"	346.217726	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+ACN+H"	42.033826
"1203895"	173.612501	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+ACN+2H"	43.041102
"200411"	653.33896	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2Na-H"	44.97116
"639607"	957.52286	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2Na-H"	44.97116
"1135457"	349.15506	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2Na-H"	44.97116
"183123"	327.173118	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2Na"	45.978436
"615757"	479.265068	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2Na"	45.978436
"1122178"	175.081168	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2Na"	45.978436
"1402422"	117.056537333333	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+2Na"	46.985712
"1436727"	351.196646	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+HCOOH"	47.012746
"225329"	332.20614	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+3H2O+2H"	56.04448
"1519590"	365.24869	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+IsoProp+H"	61.06479
"418183"	335.160088	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Na+K"	61.952376
"781365"	487.252038	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+Na+K"	61.952376
"1672228"	183.068138	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na+K"	61.952376
"255466"	672.383568	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+ACN+Na"	64.015768
"1229270"	368.199668	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+ACN+Na"	64.015768
"1714514"	368.223193	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+NH4+HCOOH"	64.039293
"1179499"	124.383851333333	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+3Na"	68.967654
"1658881"	373.178588	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na+HCOOH"	68.994688
"169025"	685.28684	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2K-H"	76.91904
"605301"	989.47074	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2K-H"	76.91904
"1091271"	381.10294	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2K-H"	76.91904
"147725"	343.147058	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2K"	77.926316
"591660"	495.239008	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2K"	77.926316
"1082371"	191.055108	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2K"	77.926316
"1110841"	383.117492	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2K+H"	78.933592
"1346858"	383.205107	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+DMSO+H"	79.021207
"1020262"	387.244276	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2ACN+H"	83.060376
"1538992"	388.237908	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+IsoProp+Na+H"	84.054008
"1005318"	194.125776	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2ACN+2H"	84.067652
"1598845"	389.152528	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K+HCOOH"	84.968628
"1429123"	419.184038	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+CF3COOH"	115.000138
"1161354"	214.639051	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+3ACN+2H"	125.094202
"1712685"	436.210585	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+NH4+CF3COOH"	132.026685
"1645461"	441.16598	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na+CF3COOH"	136.98208
"1577833"	457.13992	"C14886"	"16beta-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K+CF3COOH"	152.95602
"803826"	316.2038	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M"	0
"979546"	297.18541	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"75448"	209.795257333333	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"517562"	315.196524	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"894637"	104.393990666667	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"13943"	315.196524	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"449857"	473.298424	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"827657"	157.094624	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"86560"	631.400324	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"520653"	947.604124	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"907203"	315.196524	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"52828"	648.426871	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"493482"	964.630671	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"869097"	332.223071	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"43559"	653.382266	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"474371"	969.586066	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"853266"	337.178466	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1624987"	337.178466	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"98233"	333.184863	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"537793"	491.286763	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"940060"	175.082963	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"282725"	667.377002	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"675178"	983.580802	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1286727"	351.173202	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"28921"	669.356206	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"462286"	985.560006	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"845556"	353.152406	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1558472"	353.152406	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"951455"	361.201994	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"365298"	677.405801	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"350276"	691.421451	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1498015"	375.217651	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"967380"	383.183951	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"125572"	351.173202	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"557309"	509.275102	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1031574"	193.071302	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1248966"	395.122685	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1318342"	397.178672	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1335236"	419.160629	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"923254"	429.189386	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1297777"	465.166064	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1371564"	281.191124	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1385780"	299.2011	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"286560"	633.414876	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"682261"	949.618676	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1357517"	317.211076	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"140615"	317.211076	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"578718"	475.312976	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1046425"	159.109176	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"210318"	211.809809333333	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"652793"	317.211076	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1170917"	106.408542666667	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"429086"	650.441423	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"787165"	966.645223	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1682399"	334.237623	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"331774"	325.7243495	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"723827"	483.8262495	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1477527"	167.6224495	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"393777"	655.396818	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"763521"	971.600618	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1608341"	339.193018	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"320564"	328.202047	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"712987"	486.303947	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1463889"	170.100147	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1055311"	113.735856666667	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1259910"	349.237286	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"378363"	671.370758	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"739845"	987.574558	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1540444"	355.166958	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"301627"	336.189017	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"695144"	494.290917	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1450058"	178.087117	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"236960"	674.441426	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1213923"	358.237626	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1198171"	179.622451	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"199064"	677.37876	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"639717"	993.58256	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1134837"	361.17496	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"180681"	339.193018	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"615503"	497.294918	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1121924"	181.091118	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1403262"	121.063170666667	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1436473"	363.216546	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"225075"	344.22604	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1519700"	377.26859	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"418293"	347.179988	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"781475"	505.281888	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1672338"	189.078088	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"253025"	696.423368	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1229380"	380.219568	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1714989"	380.243093	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1180342"	128.390484666667	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1657898"	385.198488	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"160746"	709.32664	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"604317"	1025.53044	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1090287"	393.12284	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"153303"	355.166958	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"593959"	513.268858	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1079566"	197.065058	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1110951"	395.137392	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1345876"	395.225007	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1021014"	399.264176	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1539463"	400.257808	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"1005142"	200.135726	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1592394"	401.172428	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1426802"	431.203938	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1161465"	220.649001	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1711016"	448.230485	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1648854"	453.18588	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1583409"	469.15982	"C14887"	"11alpha17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"803936"	272.1412	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M"	0
"978563"	253.12281	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H2O-H"	-19.01839
"76651"	180.420190666667	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-3H"	-3.021828
"516212"	271.133924	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-3H"	-3.021828
"891831"	89.7064573333333	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-3H"	-3.021828
"13688"	271.133924	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H"	-2.014552
"449967"	407.204524	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H"	-2.014552
"827767"	135.063324	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H"	-2.014552
"86670"	543.275124	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-H"	-1.007276
"522949"	815.416324	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-H"	-1.007276
"904031"	271.133924	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H"	-1.007276
"49292"	560.301671	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+NH4"	16.019271
"490311"	832.442871	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+NH4"	16.019271
"864830"	288.160471	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+NH4"	16.019271
"39295"	565.257066	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+Na"	20.974666
"474481"	837.398266	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+Na"	20.974666
"851189"	293.115866	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+Na"	20.974666
"1622910"	293.115866	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na-2H"	20.974666
"98343"	289.122263	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-H+Cl"	33.962126
"537903"	425.192863	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-H+Cl"	33.962126
"935793"	153.051663	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+Cl"	33.962126
"276538"	579.251802	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Cl"	34.969402
"670781"	851.393002	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Cl"	34.969402
"1286716"	307.110602	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl"	34.969402
"27937"	581.231006	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+K"	36.948606
"467863"	853.372206	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+K"	36.948606
"843480"	309.089806	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+K"	36.948606
"1557489"	309.089806	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K-2H"	36.948606
"952658"	317.139394	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+HCOOH"	44.998194
"364315"	589.280601	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+HCOOH-H"	44.998201
"349292"	603.296251	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Hac-H"	59.013851
"1494844"	331.155051	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Hac-H"	59.013851
"966760"	339.121351	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+NaCOOH"	66.980151
"124784"	307.110602	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Cl"	69.938804
"556325"	443.181202	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Cl"	69.938804
"1030591"	171.040002	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Cl"	69.938804
"1247983"	351.060085	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Br"	78.918885
"1318452"	353.116072	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+HCOOH"	80.974872
"1334495"	375.098029	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+NaCOOH"	102.956829
"923364"	385.126786	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+CF3COOH"	112.985586
"1298980"	421.103464	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+CF3COOH"	148.962264
"1371674"	237.128524	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H-2H2O"	-35.012676
"1385890"	255.1385	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H-H2O"	-17.0027
"286670"	545.289676	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H"	1.007276
"682371"	817.430876	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H"	1.007276
"1354711"	273.148476	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H"	1.007276
"137077"	273.148476	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2H"	2.014552
"578825"	409.219076	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2H"	2.014552
"1045442"	137.077876	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2H"	2.014552
"211156"	182.434742666667	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+3H"	3.021828
"653996"	273.148476	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+3H"	3.021828
"1172120"	91.7210093333334	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3H"	3.021828
"428102"	562.316223	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+NH4"	18.033823
"786544"	834.457423	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+NH4"	18.033823
"1682509"	290.175023	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4"	18.033823
"332612"	281.6617495	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+NH4"	19.041099
"723694"	417.7323495	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+NH4"	19.041099
"1477760"	145.5911495	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+NH4"	19.041099
"394617"	567.271618	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Na"	22.989218
"761444"	839.412818	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Na"	22.989218
"1609544"	295.130418	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na"	22.989218
"317758"	284.139447	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+Na"	23.996494
"712368"	420.210047	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+Na"	23.996494
"1465094"	148.068847	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+Na"	23.996494
"1056515"	99.0483233333333	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2H+Na"	25.00377
"1259655"	305.174686	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+CH3OH+H"	33.033486
"378595"	583.245558	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+K"	38.963158
"739952"	855.386758	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+K"	38.963158
"1541278"	311.104358	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K"	38.963158
"299548"	292.126417	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+K"	39.970434
"692698"	428.197017	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+K"	39.970434
"1447249"	156.055817	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+K"	39.970434
"236580"	586.316226	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+ACN+H"	42.033826
"1210139"	314.175026	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+H"	42.033826
"1194273"	157.591151	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+2H"	43.041102
"188961"	589.25356	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Na-H"	44.97116
"633993"	861.39476	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Na-H"	44.97116
"1134218"	317.11236	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Na-H"	44.97116
"173903"	295.130418	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Na"	45.978436
"613907"	431.201018	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Na"	45.978436
"1115758"	159.059818	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Na"	45.978436
"1398911"	106.375637333333	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+2Na"	46.985712
"1436583"	319.153946	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+HCOOH"	47.012746
"226278"	300.16344	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+3H2O+2H"	56.04448
"1517623"	333.20599	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+H"	61.06479
"414028"	303.117388	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Na+K"	61.952376
"781585"	439.187988	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Na+K"	61.952376
"1673541"	167.046788	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+K"	61.952376
"252406"	608.298168	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+ACN+Na"	64.015768
"1229490"	336.156968	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+Na"	64.015768
"1715099"	336.180493	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4+HCOOH"	64.039293
"1181545"	113.702951333333	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3Na"	68.967654
"1656915"	341.135888	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+HCOOH"	68.994688
"160856"	621.20144	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2K-H"	76.91904
"604061"	893.34264	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2K-H"	76.91904
"1090032"	349.06024	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K-H"	76.91904
"150862"	311.104358	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2K"	77.926316
"591154"	447.174958	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2K"	77.926316
"1077854"	175.033758	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K"	77.926316
"1110697"	351.074792	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K+H"	78.933592
"1342707"	351.162407	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+DMSO+H"	79.021207
"1019260"	355.201576	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2ACN+H"	83.060376
"1538845"	356.195208	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+Na+H"	84.054008
"1004686"	178.104426	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2ACN+2H"	84.067652
"1592504"	357.109828	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K+HCOOH"	84.968628
"1426912"	387.141338	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+CF3COOH"	115.000138
"1161333"	198.617701	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3ACN+2H"	125.094202
"1711005"	404.167885	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4+CF3COOH"	132.026685
"1648964"	409.12328	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+CF3COOH"	136.98208
"1583519"	425.09722	"C14888"	"()-Methallenestrilphenol;()-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;()-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K+CF3COOH"	152.95602
"814983"	350.2257	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M"	0
"987423"	331.20731	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H2O-H"	-19.01839
"72388"	232.476524	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-3H"	-3.021828
"507575"	349.218424	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-3H"	-3.021828
"891941"	115.734624	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-3H"	-3.021828
"10519"	349.218424	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H"	-2.014552
"446799"	524.331274	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H"	-2.014552
"831158"	174.105574	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H"	-2.014552
"88966"	699.444124	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-H"	-1.007276
"525245"	1049.669824	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-H"	-1.007276
"901954"	349.218424	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H"	-1.007276
"49766"	716.470671	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+NH4"	16.019271
"488597"	1066.696371	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+NH4"	16.019271
"866157"	366.244971	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H+NH4"	16.019271
"31989"	721.426066	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+Na"	20.974666
"473492"	1071.651766	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+Na"	20.974666
"850570"	371.200366	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H+Na"	20.974666
"1619740"	371.200366	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na-2H"	20.974666
"102831"	367.206763	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-H+Cl"	33.962126
"546765"	542.319613	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-H+Cl"	33.962126
"933717"	192.093913	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+Cl"	33.962126
"270450"	735.420802	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Cl"	34.969402
"675034"	1085.646502	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+Cl"	34.969402
"1286714"	385.195102	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl"	34.969402
"30113"	737.400006	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+K"	36.948606
"469798"	1087.625706	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+K"	36.948606
"842496"	387.174306	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H+K"	36.948606
"1563796"	387.174306	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K-2H"	36.948606
"943416"	395.223894	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+HCOOH"	44.998194
"365518"	745.449601	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+HCOOH-H"	44.998201
"349405"	759.465251	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Hac-H"	59.013851
"1494957"	409.239551	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Hac-H"	59.013851
"964685"	417.205851	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+NaCOOH"	66.980151
"115781"	385.195102	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2Cl"	69.938804
"560811"	560.307952	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2Cl"	69.938804
"1033617"	210.082252	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2Cl"	69.938804
"1250281"	429.144585	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Br"	78.918885
"1318198"	431.200572	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+HCOOH"	80.974872
"1333512"	453.182529	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+NaCOOH"	102.956829
"924569"	463.211286	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+CF3COOH"	112.985586
"1300184"	499.187964	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+CF3COOH"	148.962264
"1376160"	315.213024	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H-2H2O"	-35.012676
"1386001"	333.223	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H-H2O"	-17.0027
"288967"	701.458676	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H"	1.007276
"682482"	1051.684376	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H"	1.007276
"1365393"	351.232976	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H"	1.007276
"137189"	351.232976	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2H"	2.014552
"577843"	526.345826	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2H"	2.014552
"1046646"	176.120126	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2H"	2.014552
"213088"	234.491076	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+3H"	3.021828
"653014"	351.232976	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+3H"	3.021828
"1175511"	117.749176	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+3H"	3.021828
"432589"	718.485223	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+NH4"	18.033823
"788840"	1068.710923	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+NH4"	18.033823
"1683351"	368.259523	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+NH4"	18.033823
"333088"	359.7462495	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H+NH4"	19.041099
"724780"	534.8590995	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H+NH4"	19.041099
"1481882"	184.6333995	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+NH4"	19.041099
"395821"	723.440618	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Na"	22.989218
"756454"	1073.666318	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+Na"	22.989218
"1609656"	373.214918	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na"	22.989218
"319692"	362.223947	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H+Na"	23.996494
"715394"	537.336797	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H+Na"	23.996494
"1465571"	187.111097	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+Na"	23.996494
"1060273"	125.07649	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2H+Na"	25.00377
"1260131"	383.259186	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+CH3OH+H"	33.033486
"378704"	739.414558	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+K"	38.963158
"742617"	1089.640258	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+K"	38.963158
"1543577"	389.188858	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K"	38.963158
"301117"	370.210917	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H+K"	39.970434
"693538"	545.323767	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H+K"	39.970434
"1446388"	195.098067	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+K"	39.970434
"236696"	742.485226	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+ACN+H"	42.033826
"1210496"	392.259526	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+H"	42.033826
"1196204"	196.633401	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+2H"	43.041102
"194178"	745.42256	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2Na-H"	44.97116
"633010"	1095.64826	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2Na-H"	44.97116
"1134329"	395.19686	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2Na-H"	44.97116
"173607"	373.214918	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2Na"	45.978436
"617543"	548.327768	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2Na"	45.978436
"1117769"	198.102068	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2Na"	45.978436
"1403118"	132.403804	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+2Na"	46.985712
"1436693"	397.238446	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+HCOOH"	47.012746
"228942"	378.24794	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+3H2O+2H"	56.04448
"1517733"	411.29049	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+IsoProp+H"	61.06479
"416324"	381.201888	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Na+K"	61.952376
"772946"	556.314738	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+Na+K"	61.952376
"1673651"	206.089038	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na+K"	61.952376
"251787"	764.467168	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+ACN+Na"	64.015768
"1227414"	414.241468	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+Na"	64.015768
"1717396"	414.264993	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+NH4+HCOOH"	64.039293
"1182749"	139.731118	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+3Na"	68.967654
"1659210"	419.220388	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na+HCOOH"	68.994688
"162424"	777.37044	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2K-H"	76.91904
"602715"	1127.59614	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2K-H"	76.91904
"1092698"	427.14474	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2K-H"	76.91904
"153889"	389.188858	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2K"	77.926316
"594178"	564.301708	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2K"	77.926316
"1079782"	214.076008	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2K"	77.926316
"1110807"	429.159292	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2K+H"	78.933592
"1343908"	429.246907	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+DMSO+H"	79.021207
"1021035"	433.286076	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2ACN+H"	83.060376
"1538711"	434.279708	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+IsoProp+Na+H"	84.054008
"1004551"	217.146676	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2ACN+2H"	84.067652
"1595897"	435.194328	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K+HCOOH"	84.968628
"1427024"	465.225838	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+CF3COOH"	115.000138
"1157311"	237.659951	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+3ACN+2H"	125.094202
"1710142"	482.252385	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+NH4+CF3COOH"	132.026685
"1642511"	487.20778	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na+CF3COOH"	136.98208
"1578164"	503.18172	"C14889"	"5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;(2beta5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K+CF3COOH"	152.95602
"807436"	302.2246	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M"	0
"978783"	283.20621	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"72498"	200.475790666667	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"507685"	301.217324	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"894604"	99.7342573333333	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"11722"	301.217324	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"448002"	452.329624	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"829811"	150.105024	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"89076"	603.441924	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"525355"	905.666524	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"902064"	301.217324	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"49753"	620.468471	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"489071"	922.693071	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"868334"	318.243871	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"32342"	625.423866	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"472872"	927.648466	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"849828"	323.199266	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1620334"	323.199266	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"100754"	319.205663	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"546875"	470.317963	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"934920"	168.093363	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"271290"	639.418602	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"675259"	941.643202	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1287427"	337.194002	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"29612"	641.397806	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"469540"	943.622406	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"844793"	339.173206	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1563906"	339.173206	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"944134"	347.222794	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"364537"	649.447401	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"351702"	663.463051	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1494459"	361.238451	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"963701"	369.204751	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"111394"	337.194002	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"555453"	488.306302	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1030811"	186.081702	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1247111"	381.143485	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1315028"	383.199472	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1332527"	405.181429	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"922492"	415.210186	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1295920"	451.186864	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1375177"	267.211924	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1386111"	285.2219	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"289077"	605.456476	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"679312"	907.681076	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1363316"	303.231876	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"134018"	303.231876	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"574673"	454.344176	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1047849"	152.119576	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"209917"	202.490342666667	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"655310"	303.231876	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1177445"	101.748809333333	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"433793"	622.483023	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"787494"	924.707623	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1681759"	320.258423	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"331009"	311.7451495	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"725984"	462.8574495	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1478344"	160.6328495	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"399578"	627.438418	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"756198"	929.663018	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1606849"	325.213818	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"319074"	314.222847	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"711859"	465.335147	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1464587"	163.110547	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1057102"	109.076123333333	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1259878"	335.258086	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"377720"	643.412358	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"741634"	945.636958	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1541136"	341.187758	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"300863"	322.209817	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"694380"	473.322117	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1448201"	171.097517	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"240451"	646.483026	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1212066"	344.258426	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1196314"	172.632851	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"193924"	649.42036	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"634579"	951.64496	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1134439"	347.19576	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"175907"	325.213818	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"619476"	476.326118	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1120431"	174.101518	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1404687"	116.403437333333	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1434617"	349.237346	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"228686"	330.24684	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1515654"	363.28939	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"416434"	333.200788	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"776336"	484.313088	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1672668"	182.088488	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"252869"	668.464968	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1230804"	366.240368	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1718599"	366.263893	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1180672"	123.730751333333	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1652757"	371.219288	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"158159"	681.36824	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"602094"	983.59284	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1090253"	379.14364	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"150350"	341.187758	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"589912"	492.300058	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1072236"	190.075458	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1110915"	381.158192	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1345111"	381.245807	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1016563"	385.284976	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1533960"	386.278608	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"999314"	193.146126	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1592725"	387.193228	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1419479"	417.224738	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1154141"	213.659401	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1708065"	434.251285	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1636061"	439.20668	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1578274"	455.18062	"C14890"	"17beta-Hydroxy-6beta-methylandrost-4-en-3-one;6beta-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"807546"	318.2195	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M"	0
"978893"	299.20111	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"70421"	211.139057333333	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"507795"	317.212224	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"894592"	105.065890666667	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"8552"	317.212224	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"451392"	476.321974	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"828101"	158.102474	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"88093"	635.431724	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"522186"	953.651224	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"905456"	317.212224	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"53268"	652.458271	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"493922"	970.677771	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"868444"	334.238771	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"33183"	657.413666	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"473225"	975.633166	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"851639"	339.194166	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1621050"	339.194166	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"99769"	335.200563	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"544799"	494.310313	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"935030"	176.090813	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"272493"	671.408402	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"673666"	989.627902	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1287650"	353.188902	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"30330"	673.387606	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"468922"	991.607106	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"844904"	355.168106	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1564016"	355.168106	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"944365"	363.217694	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"363550"	681.437201	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"351812"	695.452851	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1493470"	377.233351	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"959192"	385.199651	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"110141"	353.188902	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"554469"	512.298652	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1025454"	194.079152	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1244305"	397.138385	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1310763"	399.194372	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1329353"	421.176329	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"923695"	431.205086	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1300404"	467.181764	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1375286"	283.206824	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1385127"	301.2168	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"289187"	637.446276	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"677234"	955.665776	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1362333"	319.226776	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"133035"	319.226776	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"568950"	478.336526	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1049049"	160.117026	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"211850"	213.153609333333	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"655418"	319.226776	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1171356"	107.080442666667	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"434632"	654.472823	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"787968"	972.692323	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1682839"	336.253323	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"333671"	327.7400495	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"727187"	486.8497995	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1480641"	168.6302995	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"399688"	659.428218	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"756673"	977.647718	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1609876"	341.208718	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"319913"	330.217747	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"714520"	489.327497	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1466153"	171.107997	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1057211"	114.407756666667	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1261082"	351.252986	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"377830"	675.402158	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"742837"	993.621658	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1540274"	357.182658	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"300245"	338.204717	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"693032"	497.314467	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1446731"	179.094967	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"241291"	678.472826	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1211812"	360.253326	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1195938"	180.630301	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"194034"	681.41016	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"636876"	999.62966	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1136008"	363.19066	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"175409"	341.208718	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"618858"	500.318468	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1119085"	182.098968	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1404797"	121.735070666667	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1433633"	365.232246	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"229889"	346.24174	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1515764"	379.28429	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"416544"	349.195688	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"776446"	508.305438	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1672778"	190.085938	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"253100"	700.454768	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1226293"	382.235268	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1713313"	382.258793	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1179686"	129.062384666667	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1652867"	387.214188	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"158874"	713.35804	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"602933"	1031.57754	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1090362"	395.13854	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"146085"	357.182658	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"583580"	516.292408	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1072346"	198.072908	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1111389"	397.153092	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1341939"	397.240707	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1017402"	401.279876	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1531883"	402.273508	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1000518"	201.143576	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1590649"	403.188128	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1418496"	433.219638	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1154251"	221.656851	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1707082"	450.246185	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1636171"	455.20158	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1577291"	471.17552	"C14891"	"7alpha17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one;7alpha-Hydroxy-17alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"807656"	312.2089	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M"	0
"981190"	293.19051	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"78328"	207.131990666667	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"515559"	311.201624	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"894093"	103.062357333333	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"13400"	311.201624	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"452595"	467.306074	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"824930"	155.097174	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"90390"	623.410524	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"524483"	935.619424	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"908846"	311.201624	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"53378"	640.437071	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"496219"	952.645971	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"868554"	328.228171	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"34266"	645.392466	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"472121"	957.601366	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"852720"	333.183566	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1621524"	333.183566	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"99879"	329.189963	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"546002"	485.294413	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"934047"	173.085513	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"274789"	659.387202	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"674629"	971.596102	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1287031"	347.178302	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"28739"	661.366406	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"469396"	973.575306	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"846109"	349.157506	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1564126"	349.157506	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"948728"	357.207094	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"365848"	669.416001	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"353015"	683.431651	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1493339"	371.222751	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"959301"	379.189051	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"110637"	347.178302	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"558952"	503.282752	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1026659"	191.073852	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1244051"	391.127785	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1310873"	393.183772	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1329463"	415.165729	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"924898"	425.194486	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1301242"	461.171164	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1378677"	277.196224	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1386331"	295.2062	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"288204"	625.425076	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"679896"	937.633976	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1364629"	313.216176	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"136425"	313.216176	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"571612"	469.320626	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1049159"	157.111726	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"213782"	209.146542666667	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"655528"	313.216176	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1171466"	105.076909333333	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"434741"	642.451623	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"788810"	954.660523	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1684045"	330.242723	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"331962"	321.7294495	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"727296"	477.8338995	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1478926"	165.6249995	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"399798"	647.407018	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"755688"	959.615918	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1611078"	335.198118	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"321116"	324.207147	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"711350"	480.311597	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1465172"	168.102697	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1055500"	112.404223333333	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1260098"	345.242386	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"377737"	663.380958	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"740031"	975.589858	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1540992"	351.172058	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"298813"	332.194117	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"694235"	488.298567	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1446230"	176.089667	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"242494"	666.451626	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1211922"	354.242726	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1199086"	177.625001	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"194144"	669.38896	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"639173"	981.59786	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1132835"	357.18006	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"176126"	335.198118	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"619332"	491.302568	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1118463"	179.093668	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1402353"	119.731537333333	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1433742"	359.221646	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"228906"	340.23114	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1520249"	373.27369	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"416653"	343.185088	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"773276"	499.289538	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1675074"	187.080638	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"255034"	688.433568	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1229928"	376.224668	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1713029"	376.248193	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1181982"	127.058851333333	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1654800"	381.203588	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"160201"	701.33684	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"603043"	1013.54574	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1092659"	389.12794	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"147289"	351.172058	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"584662"	507.276508	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1075736"	195.067608	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1111134"	391.142492	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1343143"	391.230107	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1017876"	395.269276	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1528713"	396.262908	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"1001721"	198.138276	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1591852"	397.177528	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1418606"	427.209038	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1154361"	218.651551	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1707192"	444.235585	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1637374"	449.19098	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1577401"	465.16492	"C14892"	"17-Allylestra-135(10)-triene-317beta-diol"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"807766"	316.0767	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M"	0
"979113"	297.05831	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-H2O-H"	-19.01839
"75017"	209.710524	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M-3H"	-3.021828
"516400"	315.069424	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M-3H"	-3.021828
"894084"	104.351624	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-3H"	-3.021828
"14361"	315.069424	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M-2H"	-2.014552
"447239"	473.107774	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M-2H"	-2.014552
"827227"	157.031074	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-2H"	-2.014552
"90500"	631.146124	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M-H"	-1.007276
"525686"	947.222824	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M-H"	-1.007276
"905676"	315.069424	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-H"	-1.007276
"53488"	648.172671	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M-2H+NH4"	16.019271
"493049"	964.249371	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M-2H+NH4"	16.019271
"868664"	332.095971	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-2H+NH4"	16.019271
"34376"	653.128066	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M-2H+Na"	20.974666
"471702"	969.204766	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M-2H+Na"	20.974666
"852830"	337.051366	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-2H+Na"	20.974666
"1622364"	337.051366	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Na-2H"	20.974666
"98895"	333.057763	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M-H+Cl"	33.962126
"540643"	491.096113	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M-H+Cl"	33.962126
"938168"	175.019413	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-H+Cl"	33.962126
"278181"	667.122802	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+Cl"	34.969402
"672795"	983.199502	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+Cl"	34.969402
"1286289"	351.046102	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Cl"	34.969402
"28848"	669.102006	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M-2H+K"	36.948606
"470601"	985.178706	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M-2H+K"	36.948606
"847678"	353.025306	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-2H+K"	36.948606
"1564236"	353.025306	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+K-2H"	36.948606
"947745"	361.074894	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-H+HCOOH"	44.998194
"365961"	677.151601	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+HCOOH-H"	44.998201
"353125"	691.167251	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+Hac-H"	59.013851
"1493084"	375.090551	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Hac-H"	59.013851
"958554"	383.056851	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-H+NaCOOH"	66.980151
"110222"	351.046102	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+2Cl"	69.938804
"559062"	509.084452	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+2Cl"	69.938804
"1026769"	193.007752	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2Cl"	69.938804
"1244161"	394.995585	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Br"	78.918885
"1309890"	397.051572	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Cl+HCOOH"	80.974872
"1329573"	419.033529	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Cl+NaCOOH"	102.956829
"924279"	429.062286	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M-H+CF3COOH"	112.985586
"1301353"	465.038964	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Cl+CF3COOH"	148.962264
"1378787"	281.064024	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H-2H2O"	-35.012676
"1386441"	299.074	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H-H2O"	-17.0027
"288314"	633.160676	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+H"	1.007276
"682923"	949.237376	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+H"	1.007276
"1361460"	317.083976	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H"	1.007276
"133255"	317.083976	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+2H"	2.014552
"571722"	475.122326	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+2H"	2.014552
"1045989"	159.045626	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2H"	2.014552
"209517"	211.725076	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+3H"	3.021828
"654545"	317.083976	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+3H"	3.021828
"1168296"	106.366176	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+3H"	3.021828
"432664"	650.187223	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+NH4"	18.033823
"789649"	966.263923	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+NH4"	18.033823
"1683795"	334.110523	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+NH4"	18.033823
"334985"	325.5972495	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+H+NH4"	19.041099
"724492"	483.6355995	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+H+NH4"	19.041099
"1479401"	167.5588995	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H+NH4"	19.041099
"399908"	655.142618	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+Na"	22.989218
"754384"	971.219318	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+Na"	22.989218
"1610096"	339.065918	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Na"	22.989218
"319039"	328.074947	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+H+Na"	23.996494
"715835"	486.113297	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+H+Na"	23.996494
"1466372"	170.036597	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H+Na"	23.996494
"1055613"	113.69349	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2H+Na"	25.00377
"1259843"	349.110186	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+CH3OH+H"	33.033486
"378417"	671.116558	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+K"	38.963158
"741965"	987.193258	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+K"	38.963158
"1541467"	355.039858	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+K"	38.963158
"300466"	336.061917	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+H+K"	39.970434
"694711"	494.100267	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+H+K"	39.970434
"1448895"	178.023567	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H+K"	39.970434
"236769"	674.187226	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+ACN+H"	42.033826
"1212032"	358.110526	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+ACN+H"	42.033826
"1199196"	179.558901	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+ACN+2H"	43.041102
"193161"	677.12456	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+2Na-H"	44.97116
"639283"	993.20126	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+2Na-H"	44.97116
"1135136"	361.04786	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2Na-H"	44.97116
"175872"	339.065918	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+2Na"	45.978436
"622358"	497.104268	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+2Na"	45.978436
"1118210"	181.027568	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2Na"	45.978436
"1401735"	121.020804	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H+2Na"	46.985712
"1438227"	363.089446	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H+HCOOH"	47.012746
"226829"	344.09894	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+3H2O+2H"	56.04448
"1519994"	377.14149	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+IsoProp+H"	61.06479
"415670"	347.052888	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+Na+K"	61.952376
"773386"	505.091238	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+Na+K"	61.952376
"1674091"	189.014538	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Na+K"	61.952376
"255144"	696.169168	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+ACN+Na"	64.015768
"1228216"	380.092468	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+ACN+Na"	64.015768
"1713087"	380.115993	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+NH4+HCOOH"	64.039293
"1180999"	128.348118	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+3Na"	68.967654
"1658556"	385.071388	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Na+HCOOH"	68.994688
"159583"	709.07244	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+2K-H"	76.91904
"598050"	1025.14914	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+2K-H"	76.91904
"1086208"	392.99574	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2K-H"	76.91904
"149587"	355.039858	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"2M+2K"	77.926316
"585865"	513.078208	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"3M+2K"	77.926316
"1075846"	197.001508	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2K"	77.926316
"1109056"	395.010292	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2K+H"	78.933592
"1345440"	395.097907	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+DMSO+H"	79.021207
"1017987"	399.137076	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2ACN+H"	83.060376
"1535384"	400.130708	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+IsoProp+Na+H"	84.054008
"1004018"	200.072176	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+2ACN+2H"	84.067652
"1596337"	401.045328	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+K+HCOOH"	84.968628
"1420903"	431.076838	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+H+CF3COOH"	115.000138
"1156658"	220.585451	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+3ACN+2H"	125.094202
"1705115"	448.103385	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+NH4+CF3COOH"	132.026685
"1636391"	453.05878	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+Na+CF3COOH"	136.98208
"1577511"	469.03272	"C14893"	"2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile"	"C20H13ClN2"	"316.0767"	"M+K+CF3COOH"	152.95602
"807876"	330.1103	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M"	0
"979223"	311.09191	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-H2O-H"	-19.01839
"76219"	219.066257333333	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M-3H"	-3.021828
"508126"	329.103024	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M-3H"	-3.021828
"894558"	109.029490666667	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-3H"	-3.021828
"13622"	329.103024	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M-2H"	-2.014552
"450629"	494.158174	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M-2H"	-2.014552
"830375"	164.047874	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-2H"	-2.014552
"88423"	659.213324	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M-H"	-1.007276
"525795"	989.323624	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M-H"	-1.007276
"906879"	329.103024	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-H"	-1.007276
"54691"	676.239871	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M-2H+NH4"	16.019271
"494252"	1006.350171	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M-2H+NH4"	16.019271
"868409"	346.129571	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-2H+NH4"	16.019271
"38857"	681.195266	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M-2H+Na"	20.974666
"474042"	1011.305566	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M-2H+Na"	20.974666
"855125"	351.084966	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-2H+Na"	20.974666
"1625753"	351.084966	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Na-2H"	20.974666
"100461"	347.091363	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M-H+Cl"	33.962126
"542938"	512.146513	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M-H+Cl"	33.962126
"940586"	182.036213	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-H+Cl"	33.962126
"278290"	695.190002	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+Cl"	34.969402
"673389"	1025.300302	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+Cl"	34.969402
"1279471"	365.079702	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Cl"	34.969402
"30904"	697.169206	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M-2H+K"	36.948606
"470710"	1027.279506	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M-2H+K"	36.948606
"847057"	367.058906	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-2H+K"	36.948606
"1564346"	367.058906	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+K-2H"	36.948606
"948947"	375.108494	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-H+HCOOH"	44.998194
"362789"	705.218801	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+HCOOH-H"	44.998201
"349955"	719.234451	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+Hac-H"	59.013851
"1493237"	389.124151	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Hac-H"	59.013851
"959158"	397.090451	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-H+NaCOOH"	66.980151
"110614"	365.079702	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+2Cl"	69.938804
"559171"	530.134852	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+2Cl"	69.938804
"1030159"	200.024552	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2Cl"	69.938804
"1244271"	409.029185	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Br"	78.918885
"1310000"	411.085172	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Cl+HCOOH"	80.974872
"1332965"	433.067129	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Cl+NaCOOH"	102.956829
"925118"	443.095886	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M-H+CF3COOH"	112.985586
"1302921"	479.072564	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Cl+CF3COOH"	148.962264
"1373430"	295.097624	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H-2H2O"	-35.012676
"1389832"	313.1076	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H-H2O"	-17.0027
"289518"	661.227876	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+H"	1.007276
"679753"	991.338176	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+H"	1.007276
"1362664"	331.117576	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H"	1.007276
"128262"	331.117576	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+2H"	2.014552
"569645"	496.172726	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+2H"	2.014552
"1047192"	166.062426	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2H"	2.014552
"207440"	221.080809333333	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+3H"	3.021828
"653562"	331.117576	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+3H"	3.021828
"1170591"	111.044042666667	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+3H"	3.021828
"432774"	678.254423	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+NH4"	18.033823
"786475"	1008.364723	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+NH4"	18.033823
"1683900"	348.144123	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+NH4"	18.033823
"334002"	339.6308495	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+H+NH4"	19.041099
"726421"	504.6859995	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+H+NH4"	19.041099
"1480240"	174.5756995	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H+NH4"	19.041099
"398922"	683.209818	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+Na"	22.989218
"757731"	1013.320118	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+Na"	22.989218
"1604739"	353.099518	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Na"	22.989218
"321336"	342.108547	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+H+Na"	23.996494
"710841"	507.163697	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+H+Na"	23.996494
"1465391"	177.053397	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H+Na"	23.996494
"1057545"	118.371356666667	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2H+Na"	25.00377
"1263598"	363.143786	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+CH3OH+H"	33.033486
"382172"	699.183758	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+K"	38.963158
"745354"	1029.294058	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+K"	38.963158
"1545221"	369.073458	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+K"	38.963158
"302399"	350.095517	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+H+K"	39.970434
"697006"	515.150667	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+H+K"	39.970434
"1451922"	185.040367	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H+K"	39.970434
"238339"	702.254426	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+ACN+H"	42.033826
"1212142"	372.144126	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+ACN+H"	42.033826
"1197119"	186.575701	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+ACN+2H"	43.041102
"194364"	705.19176	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+2Na-H"	44.97116
"636113"	1035.30206	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+2Na-H"	44.97116
"1141806"	375.08146	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2Na-H"	44.97116
"175620"	353.099518	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+2Na"	45.978436
"617002"	518.154668	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+2Na"	45.978436
"1118684"	188.044368	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2Na"	45.978436
"1402938"	125.698670666667	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H+2Na"	46.985712
"1437243"	377.123046	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H+HCOOH"	47.012746
"229126"	358.13254	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+3H2O+2H"	56.04448
"1520468"	391.17509	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+IsoProp+H"	61.06479
"415780"	361.086488	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+Na+K"	61.952376
"773860"	526.141638	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+Na+K"	61.952376
"1674201"	196.031338	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Na+K"	61.952376
"257441"	724.236368	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+ACN+Na"	64.015768
"1228326"	394.126068	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+ACN+Na"	64.015768
"1714660"	394.149593	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+NH4+HCOOH"	64.039293
"1180380"	133.025984666667	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+3Na"	68.967654
"1654292"	399.104988	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Na+HCOOH"	68.994688
"158599"	737.13964	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+2K-H"	76.91904
"597917"	1067.24994	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+2K-H"	76.91904
"1089601"	407.02934	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2K-H"	76.91904
"145321"	369.073458	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"2M+2K"	77.926316
"589255"	534.128608	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"3M+2K"	77.926316
"1073767"	204.018308	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2K"	77.926316
"1106978"	409.043892	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2K+H"	78.933592
"1342270"	409.131507	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+DMSO+H"	79.021207
"1017732"	413.170676	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2ACN+H"	83.060376
"1533307"	414.164308	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+IsoProp+Na+H"	84.054008
"1002670"	207.088976	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+2ACN+2H"	84.067652
"1596447"	415.078928	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+K+HCOOH"	84.968628
"1421013"	445.110438	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+H+CF3COOH"	115.000138
"1156768"	227.602251	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+3ACN+2H"	125.094202
"1704132"	462.136985	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+NH4+CF3COOH"	132.026685
"1636501"	467.09238	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+Na+CF3COOH"	136.98208
"1577621"	483.06632	"C14894"	"36-Dihydroxy-244-trimethoxy-chalcone;1-(36-Dihydroxy-24-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	"C18H18O6"	"330.1103"	"M+K+CF3COOH"	152.95602
"807986"	464.1682	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M"	0
"981520"	445.14981	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-H2O-H"	-19.01839
"76329"	308.438190666667	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M-3H"	-3.021828
"509329"	463.160924	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M-3H"	-3.021828
"894547"	153.715457333333	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-3H"	-3.021828
"14220"	463.160924	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M-2H"	-2.014552
"451832"	695.245024	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M-2H"	-2.014552
"828539"	231.076824	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-2H"	-2.014552
"89626"	927.329124	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M-H"	-1.007276
"526998"	1391.497324	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M-H"	-1.007276
"906987"	463.160924	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-H"	-1.007276
"53708"	944.355671	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M-2H+NH4"	16.019271
"494360"	1408.523871	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M-2H+NH4"	16.019271
"869977"	480.187471	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-2H+NH4"	16.019271
"36785"	949.311066	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M-2H+Na"	20.974666
"473059"	1413.479266	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M-2H+Na"	20.974666
"855235"	485.142866	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-2H+Na"	20.974666
"1624770"	485.142866	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Na-2H"	20.974666
"102393"	481.149263	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M-H+Cl"	33.962126
"540861"	713.233363	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M-H+Cl"	33.962126
"937656"	249.065163	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-H+Cl"	33.962126
"276212"	963.305802	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+Cl"	34.969402
"671554"	1427.474002	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+Cl"	34.969402
"1279945"	499.137602	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Cl"	34.969402
"27973"	965.285006	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M-2H+K"	36.948606
"470087"	1429.453206	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M-2H+K"	36.948606
"845703"	501.116806	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-2H+K"	36.948606
"1567738"	501.116806	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+K-2H"	36.948606
"945778"	509.166394	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-H+HCOOH"	44.998194
"365087"	973.334601	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+HCOOH-H"	44.998201
"348972"	987.350251	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+Hac-H"	59.013851
"1493306"	523.182051	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Hac-H"	59.013851
"958574"	531.148351	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-H+NaCOOH"	66.980151
"110359"	499.137602	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+2Cl"	69.938804
"558189"	731.221702	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+2Cl"	69.938804
"1026989"	267.053502	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2Cl"	69.938804
"1241584"	543.087085	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Br"	78.918885
"1305736"	545.143072	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Cl+HCOOH"	80.974872
"1326513"	567.125029	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Cl+NaCOOH"	102.956829
"924135"	577.153786	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M-H+CF3COOH"	112.985586
"1301577"	613.130464	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Cl+CF3COOH"	148.962264
"1374634"	429.155524	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H-2H2O"	-35.012676
"1388849"	447.1655	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H-H2O"	-17.0027
"289629"	929.343676	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+H"	1.007276
"685331"	1393.511876	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+H"	1.007276
"1359494"	465.175476	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H"	1.007276
"130195"	465.175476	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+2H"	2.014552
"566838"	697.259576	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+2H"	2.014552
"1040011"	233.091376	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2H"	2.014552
"205726"	310.452742666667	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+3H"	3.021828
"652578"	465.175476	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+3H"	3.021828
"1171795"	155.730009333333	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+3H"	3.021828
"430696"	946.370223	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+NH4"	18.033823
"786581"	1410.538423	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+NH4"	18.033823
"1682307"	482.202023	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+NH4"	18.033823
"332287"	473.6887495	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+H+NH4"	19.041099
"726896"	705.7728495	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+H+NH4"	19.041099
"1479984"	241.6046495	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H+NH4"	19.041099
"395386"	951.325618	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+Na"	22.989218
"756381"	1415.493818	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+Na"	22.989218
"1604844"	487.157418	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Na"	22.989218
"316706"	476.166447	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+H+Na"	23.996494
"709857"	708.250547	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+H+Na"	23.996494
"1464408"	244.082347	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H+Na"	23.996494
"1054374"	163.057323333333	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2H+Na"	25.00377
"1262613"	497.201686	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+CH3OH+H"	33.033486
"380095"	967.299558	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+K"	38.963158
"741457"	1431.467758	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+K"	38.963158
"1542051"	503.131358	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+K"	38.963158
"300322"	484.153417	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+H+K"	39.970434
"694930"	716.237517	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+H+K"	39.970434
"1450939"	252.069317	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H+K"	39.970434
"238449"	970.370226	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+ACN+H"	42.033826
"1217720"	506.202026	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+ACN+H"	42.033826
"1198322"	253.604651	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+ACN+2H"	43.041102
"194474"	973.30756	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+2Na-H"	44.97116
"637316"	1437.47576	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+2Na-H"	44.97116
"1141916"	509.13936	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2Na-H"	44.97116
"180833"	487.157418	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+2Na"	45.978436
"620392"	719.241518	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+2Na"	45.978436
"1118065"	255.073318	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2Na"	45.978436
"1401955"	170.384637333333	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H+2Na"	46.985712
"1438446"	511.180946	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H+HCOOH"	47.012746
"232516"	492.19044	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+3H2O+2H"	56.04448
"1521671"	525.23299	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+IsoProp+H"	61.06479
"415890"	495.144388	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+Na+K"	61.952376
"774334"	727.228488	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+Na+K"	61.952376
"1675404"	263.060288	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Na+K"	61.952376
"256821"	992.352168	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+ACN+Na"	64.015768
"1231352"	528.183968	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+ACN+Na"	64.015768
"1715500"	528.207493	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+NH4+HCOOH"	64.039293
"1180124"	177.711951333333	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+3Na"	68.967654
"1656589"	533.162888	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Na+HCOOH"	68.994688
"160167"	1005.25544	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+2K-H"	76.91904
"599730"	1469.42364	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+2K-H"	76.91904
"1092993"	541.08724	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2K-H"	76.91904
"148711"	503.131358	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"2M+2K"	77.926316
"589365"	735.215458	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"3M+2K"	77.926316
"1073877"	271.047258	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2K"	77.926316
"1100889"	543.101792	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2K+H"	78.933592
"1340192"	543.189407	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+DMSO+H"	79.021207
"1017842"	547.228576	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2ACN+H"	83.060376
"1534511"	548.222208	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+IsoProp+Na+H"	84.054008
"1003511"	274.117926	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+2ACN+2H"	84.067652
"1595464"	549.136828	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+K+HCOOH"	84.968628
"1419300"	579.168338	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+H+CF3COOH"	115.000138
"1151411"	294.631201	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+3ACN+2H"	125.094202
"1702055"	596.194885	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+NH4+CF3COOH"	132.026685
"1639891"	601.15028	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+Na+CF3COOH"	136.98208
"1577731"	617.12422	"C14895"	"1-(2-Hydroxy-3456-tetramethoxyphenyl)-3-(2346-tetramethoxyphenyl)-2-propen-1-one"	"C23H28O10"	"464.1682"	"M+K+CF3COOH"	152.95602
"814659"	269.1416	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M"	0
"978350"	250.12321	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-H2O-H"	-19.01839
"73159"	178.420457333333	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M-3H"	-3.021828
"511628"	268.134324	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M-3H"	-3.021828
"892710"	88.7065906666667	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-3H"	-3.021828
"15460"	268.134324	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M-2H"	-2.014552
"450848"	402.705124	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M-2H"	-2.014552
"828649"	133.563524	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-2H"	-2.014552
"90830"	537.275924	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M-H"	-1.007276
"528202"	806.417524	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M-H"	-1.007276
"902724"	268.134324	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-H"	-1.007276
"57098"	554.302471	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M-2H+NH4"	16.019271
"494470"	823.444071	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M-2H+NH4"	16.019271
"868993"	285.160871	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-2H+NH4"	16.019271
"41267"	559.257866	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M-2H+Na"	20.974666
"476451"	828.399466	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M-2H+Na"	20.974666
"854619"	290.116266	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-2H+Na"	20.974666
"1625974"	290.116266	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Na-2H"	20.974666
"102504"	286.122663	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M-H+Cl"	33.962126
"544250"	420.693463	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M-H+Cl"	33.962126
"934485"	151.551863	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-H+Cl"	33.962126
"275228"	573.252602	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+Cl"	34.969402
"668747"	842.394202	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+Cl"	34.969402
"1280055"	304.111002	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Cl"	34.969402
"25896"	575.231806	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M-2H+K"	36.948606
"469831"	844.373406	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M-2H+K"	36.948606
"847634"	306.090206	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-2H+K"	36.948606
"1566754"	306.090206	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+K-2H"	36.948606
"943213"	314.139794	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-H+HCOOH"	44.998194
"364467"	583.281401	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+HCOOH-H"	44.998201
"346162"	597.297051	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+Hac-H"	59.013851
"1493174"	328.155451	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Hac-H"	59.013851
"958810"	336.121751	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-H+NaCOOH"	66.980151
"110474"	304.111002	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+2Cl"	69.938804
"558298"	438.681802	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+2Cl"	69.938804
"1027099"	169.540202	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2Cl"	69.938804
"1241814"	348.060485	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Br"	78.918885
"1309127"	350.116472	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Cl+HCOOH"	80.974872
"1330999"	372.098429	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Cl+NaCOOH"	102.956829
"919872"	382.127186	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M-H+CF3COOH"	112.985586
"1302047"	418.103864	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Cl+CF3COOH"	148.962264
"1373649"	234.128924	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H-2H2O"	-35.012676
"1384584"	252.1389	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H-H2O"	-17.0027
"290833"	539.290476	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+H"	1.007276
"684349"	808.432076	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+H"	1.007276
"1357781"	270.148876	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H"	1.007276
"128116"	270.148876	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+2H"	2.014552
"567677"	404.719676	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+2H"	2.014552
"1041215"	135.578076	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2H"	2.014552
"208754"	180.435009333333	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+3H"	3.021828
"651594"	270.148876	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+3H"	3.021828
"1167529"	90.7211426666667	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+3H"	3.021828
"432993"	556.317023	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+NH4"	18.033823
"786326"	825.458623	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+NH4"	18.033823
"1682537"	287.175423	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+NH4"	18.033823
"330692"	278.6621495	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+H+NH4"	19.041099
"724451"	413.2329495	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+H+NH4"	19.041099
"1480461"	144.0913495	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H+NH4"	19.041099
"394765"	561.272418	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+Na"	22.989218
"755030"	830.414018	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+Na"	22.989218
"1604952"	292.130818	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Na"	22.989218
"315359"	281.139847	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+H+Na"	23.996494
"709964"	415.710647	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+H+Na"	23.996494
"1463786"	146.569047	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H+Na"	23.996494
"1053512"	98.0484566666667	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2H+Na"	25.00377
"1260537"	302.175086	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+CH3OH+H"	33.033486
"380205"	577.246358	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+K"	38.963158
"742296"	846.387958	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+K"	38.963158
"1544348"	308.104758	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+K"	38.963158
"304805"	289.126817	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+H+K"	39.970434
"698320"	423.697617	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+H+K"	39.970434
"1451050"	154.556017	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H+K"	39.970434
"240747"	580.317026	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+ACN+H"	42.033826
"1217830"	311.175426	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+ACN+H"	42.033826
"1204995"	156.091351	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+ACN+2H"	43.041102
"198961"	583.25436	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+2Na-H"	44.97116
"635241"	852.39596	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+2Na-H"	44.97116
"1142026"	314.11276	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2Na-H"	44.97116
"180943"	292.130818	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+2Na"	45.978436
"619410"	426.701618	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+2Na"	45.978436
"1119632"	157.560018	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2Na"	45.978436
"1402063"	105.375770666667	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H+2Na"	46.985712
"1435276"	316.154346	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H+HCOOH"	47.012746
"229346"	297.16384	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+3H2O+2H"	56.04448
"1518502"	330.20639	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+IsoProp+H"	61.06479
"412356"	300.117788	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+Na+K"	61.952376
"772257"	434.688588	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+Na+K"	61.952376
"1672235"	165.546988	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Na+K"	61.952376
"252920"	602.298968	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+ACN+Na"	64.015768
"1226722"	333.157368	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+ACN+Na"	64.015768
"1714882"	333.180893	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+NH4+HCOOH"	64.039293
"1179989"	112.703084666667	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+3Na"	68.967654
"1653052"	338.136288	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Na+HCOOH"	68.994688
"159912"	615.20224	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+2K-H"	76.91904
"600198"	884.34384	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+2K-H"	76.91904
"1086900"	346.06064	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2K-H"	76.91904
"143717"	308.104758	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"2M+2K"	77.926316
"586194"	442.675558	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"3M+2K"	77.926316
"1071802"	173.533958	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2K"	77.926316
"1109021"	348.075192	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2K+H"	78.933592
"1340302"	348.162807	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+DMSO+H"	79.021207
"1015398"	352.201976	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2ACN+H"	83.060376
"1536444"	353.195608	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+IsoProp+Na+H"	84.054008
"1003985"	176.604626	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+2ACN+2H"	84.067652
"1590106"	354.110228	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+K+HCOOH"	84.968628
"1417954"	384.141738	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+H+CF3COOH"	115.000138
"1151521"	197.117901	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+3ACN+2H"	125.094202
"1702166"	401.168285	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+NH4+CF3COOH"	132.026685
"1646564"	406.12368	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+Na+CF3COOH"	136.98208
"1577841"	422.09762	"C14896"	"1-Methyl-6-(1234-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C17H19NO2"	"269.1416"	"M+K+CF3COOH"	152.95602
"813676"	252.115	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M"	0
"978460"	233.09661	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-H2O-H"	-19.01839
"71083"	167.069390666667	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M-3H"	-3.021828
"515019"	251.107724	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M-3H"	-3.021828
"891727"	83.0310573333333	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-3H"	-3.021828
"5932"	251.107724	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M-2H"	-2.014552
"446586"	377.165224	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M-2H"	-2.014552
"825480"	125.050224	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-2H"	-2.014552
"83287"	503.222724	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M-H"	-1.007276
"526126"	755.337724	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M-H"	-1.007276
"897000"	251.107724	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-H"	-1.007276
"50646"	520.249271	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M-2H+NH4"	16.019271
"491301"	772.364271	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M-2H+NH4"	16.019271
"870197"	268.134271	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-2H+NH4"	16.019271
"38098"	525.204666	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M-2H+Na"	20.974666
"478749"	777.319666	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M-2H+Na"	20.974666
"855461"	273.089666	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-2H+Na"	20.974666
"1623899"	273.089666	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Na-2H"	20.974666
"104803"	269.096063	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M-H+Cl"	33.962126
"542177"	395.153563	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M-H+Cl"	33.962126
"935691"	143.038563	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-H+Cl"	33.962126
"276433"	539.199402	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+Cl"	34.969402
"668857"	791.314402	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+Cl"	34.969402
"1279072"	287.084402	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Cl"	34.969402
"26006"	541.178606	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M-2H+K"	36.948606
"469941"	793.293606	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M-2H+K"	36.948606
"844462"	289.063606	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-2H+K"	36.948606
"1565771"	289.063606	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+K-2H"	36.948606
"945998"	297.113194	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-H+HCOOH"	44.998194
"362755"	549.228201	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+HCOOH-H"	44.998201
"351380"	563.243851	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+Hac-H"	59.013851
"1502398"	311.128851	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Hac-H"	59.013851
"964472"	319.095151	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-H+NaCOOH"	66.980151
"113744"	287.084402	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+2Cl"	69.938804
"559502"	413.141902	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+2Cl"	69.938804
"1031583"	161.026902	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2Cl"	69.938804
"1241722"	331.033885	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Br"	78.918885
"1312519"	333.089872	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Cl+HCOOH"	80.974872
"1331109"	355.071829	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Cl+NaCOOH"	102.956829
"921076"	365.100586	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M-H+CF3COOH"	112.985586
"1302157"	401.077264	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Cl+CF3COOH"	148.962264
"1373759"	217.102324	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H-2H2O"	-35.012676
"1391257"	235.1123	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H-H2O"	-17.0027
"289851"	505.237276	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+H"	1.007276
"686646"	757.352276	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+H"	1.007276
"1361901"	253.122276	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H"	1.007276
"132601"	253.122276	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+2H"	2.014552
"568148"	379.179776	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+2H"	2.014552
"1041689"	127.064776	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2H"	2.014552
"205580"	169.083942666667	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+3H"	3.021828
"648786"	253.122276	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+3H"	3.021828
"1168368"	85.0456093333333	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+3H"	3.021828
"433103"	522.263823	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+NH4"	18.033823
"787535"	774.378823	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+NH4"	18.033823
"1682405"	270.148823	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+NH4"	18.033823
"332872"	261.6355495	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+H+NH4"	19.041099
"727116"	387.6930495	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+H+NH4"	19.041099
"1478380"	135.5780495	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H+NH4"	19.041099
"394510"	527.219218	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+Na"	22.989218
"756602"	779.334218	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+Na"	22.989218
"1603608"	275.104218	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Na"	22.989218
"317292"	264.113247	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+H+Na"	23.996494
"708619"	390.170747	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+H+Na"	23.996494
"1464626"	138.055747	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H+Na"	23.996494
"1053255"	92.3729233333333	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2H+Na"	25.00377
"1257972"	285.148486	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+CH3OH+H"	33.033486
"380314"	543.193158	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+K"	38.963158
"739487"	795.308158	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+K"	38.963158
"1544459"	291.078158	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+K"	38.963158
"306009"	272.100217	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+H+K"	39.970434
"696241"	398.157717	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+H+K"	39.970434
"1452253"	146.042717	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H+K"	39.970434
"240857"	546.263826	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+ACN+H"	42.033826
"1219034"	294.148826	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+ACN+H"	42.033826
"1207292"	147.578051	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+ACN+2H"	43.041102
"196883"	549.20116	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+2Na-H"	44.97116
"640818"	801.31616	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+2Na-H"	44.97116
"1142136"	297.08616	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2Na-H"	44.97116
"187858"	275.104218	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+2Na"	45.978436
"628193"	401.161718	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+2Na"	45.978436
"1125211"	149.046718	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2Na"	45.978436
"1403269"	99.7002373333333	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H+2Na"	46.985712
"1435386"	299.127746	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H+HCOOH"	47.012746
"230550"	280.13724	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+3H2O+2H"	56.04448
"1517519"	313.17979	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+IsoProp+H"	61.06479
"411373"	283.091188	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+Na+K"	61.952376
"770181"	409.148688	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+Na+K"	61.952376
"1670522"	157.033688	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Na+K"	61.952376
"252178"	568.245768	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+ACN+Na"	64.015768
"1226588"	316.130768	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+ACN+Na"	64.015768
"1714628"	316.154293	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+NH4+HCOOH"	64.039293
"1179046"	107.027551333333	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+3Na"	68.967654
"1652431"	321.109688	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Na+HCOOH"	68.994688
"159290"	581.14904	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+2K-H"	76.91904
"600309"	833.26404	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+2K-H"	76.91904
"1086278"	329.03404	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2K-H"	76.91904
"144555"	291.078158	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"2M+2K"	77.926316
"586300"	417.135658	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"3M+2K"	77.926316
"1069721"	165.020658	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2K"	77.926316
"1105121"	331.048592	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2K+H"	78.933592
"1340413"	331.136207	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+DMSO+H"	79.021207
"1010037"	335.175376	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2ACN+H"	83.060376
"1529257"	336.169008	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+IsoProp+Na+H"	84.054008
"996800"	168.091326	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+2ACN+2H"	84.067652
"1593494"	337.083628	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+K+HCOOH"	84.968628
"1419154"	367.115138	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+H+CF3COOH"	115.000138
"1154911"	188.604601	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+3ACN+2H"	125.094202
"1704462"	384.141685	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+NH4+CF3COOH"	132.026685
"1646674"	389.09708	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+Na+CF3COOH"	136.98208
"1577951"	405.07102	"C14897"	"p-(34-Dihydro-6-methoxy-2-naphthyl)phenol"	"C17H16O2"	"252.115"	"M+K+CF3COOH"	152.95602
"813786"	242.1307	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M"	0
"979663"	223.11231	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-H2O-H"	-19.01839
"74472"	160.413190666667	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M-3H"	-3.021828
"508566"	241.123424	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M-3H"	-3.021828
"894025"	79.7029573333333	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-3H"	-3.021828
"13695"	241.123424	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M-2H"	-2.014552
"443415"	362.188774	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M-2H"	-2.014552
"829964"	120.058074	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-2H"	-2.014552
"83397"	483.254124	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M-H"	-1.007276
"528423"	725.384824	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M-H"	-1.007276
"900756"	241.123424	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-H"	-1.007276
"55130"	500.280671	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M-2H+NH4"	16.019271
"494694"	742.411371	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M-2H+NH4"	16.019271
"876869"	258.149971	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-2H+NH4"	16.019271
"40395"	505.236066	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M-2H+Na"	20.974666
"479953"	747.366766	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M-2H+Na"	20.974666
"860311"	263.105366	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-2H+Na"	20.974666
"1625103"	263.105366	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Na-2H"	20.974666
"103821"	259.111763	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M-H+Cl"	33.962126
"540101"	380.177113	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M-H+Cl"	33.962126
"933615"	138.046413	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-H+Cl"	33.962126
"275451"	519.230802	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+Cl"	34.969402
"664592"	761.361502	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+Cl"	34.969402
"1278088"	277.100102	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Cl"	34.969402
"19556"	521.210006	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M-2H+K"	36.948606
"463491"	763.340706	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M-2H+K"	36.948606
"841292"	279.079306	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-2H+K"	36.948606
"1569162"	279.079306	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+K-2H"	36.948606
"949389"	287.128894	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-H+HCOOH"	44.998194
"367605"	529.259601	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+HCOOH-H"	44.998201
"353677"	543.275251	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+Hac-H"	59.013851
"1503602"	301.144551	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Hac-H"	59.013851
"962394"	309.110851	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-H+NaCOOH"	66.980151
"120051"	277.100102	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+2Cl"	69.938804
"558519"	398.165452	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+2Cl"	69.938804
"1031693"	156.034752	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2Cl"	69.938804
"1249085"	321.049585	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Br"	78.918885
"1317732"	323.105572	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Cl+HCOOH"	80.974872
"1330126"	345.087529	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Cl+NaCOOH"	102.956829
"920087"	355.116286	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M-H+CF3COOH"	112.985586
"1302267"	391.092964	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Cl+CF3COOH"	148.962264
"1372775"	207.118024	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H-2H2O"	-35.012676
"1395014"	225.128	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H-H2O"	-17.0027
"289962"	485.268676	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+H"	1.007276
"687849"	727.399376	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+H"	1.007276
"1359823"	243.137976	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H"	1.007276
"126876"	243.137976	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+2H"	2.014552
"567168"	364.203326	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+2H"	2.014552
"1039249"	122.072626	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2H"	2.014552
"206782"	162.427742666667	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+3H"	3.021828
"650721"	243.137976	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+3H"	3.021828
"1167023"	81.7175093333333	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+3H"	3.021828
"432120"	502.295223	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+NH4"	18.033823
"788740"	744.425923	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+NH4"	18.033823
"1683245"	260.164523	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+NH4"	18.033823
"331889"	251.6512495	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+H+NH4"	19.041099
"725766"	372.7165995	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+H+NH4"	19.041099
"1478491"	130.5858995	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H+NH4"	19.041099
"400458"	507.250618	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+Na"	22.989218
"755256"	749.381318	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+Na"	22.989218
"1602989"	265.119918	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Na"	22.989218
"314403"	254.128947	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+H+Na"	23.996494
"708000"	375.194297	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+H+Na"	23.996494
"1461700"	133.063597	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H+Na"	23.996494
"1052961"	89.0448233333333	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2H+Na"	25.00377
"1257599"	275.164186	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+CH3OH+H"	33.033486
"380425"	523.224558	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+K"	38.963158
"740329"	765.355258	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+K"	38.963158
"1543478"	281.093858	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+K"	38.963158
"306120"	262.115917	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+H+K"	39.970434
"695258"	383.181267	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+H+K"	39.970434
"1453456"	141.050567	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H+K"	39.970434
"243155"	526.295226	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+ACN+H"	42.033826
"1220239"	284.164526	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+ACN+H"	42.033826
"1206310"	142.585901	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+ACN+2H"	43.041102
"199180"	529.23256	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+2Na-H"	44.97116
"637646"	771.36326	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+2Na-H"	44.97116
"1142245"	287.10186	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2Na-H"	44.97116
"186144"	265.119918	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+2Na"	45.978436
"627777"	386.185268	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+2Na"	45.978436
"1126414"	144.054568	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2Na"	45.978436
"1408844"	96.3721373333333	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H+2Na"	46.985712
"1442057"	289.143446	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H+HCOOH"	47.012746
"229565"	270.15294	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+3H2O+2H"	56.04448
"1517629"	303.19549	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+IsoProp+H"	61.06479
"415493"	273.106888	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+Na+K"	61.952376
"776488"	394.172238	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+Na+K"	61.952376
"1668080"	152.041538	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Na+K"	61.952376
"253141"	548.277168	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+ACN+Na"	64.015768
"1226334"	306.146468	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+ACN+Na"	64.015768
"1713154"	306.169993	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+NH4+HCOOH"	64.039293
"1179073"	103.699451333333	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+3Na"	68.967654
"1652909"	311.125388	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Na+HCOOH"	68.994688
"158308"	561.18044	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+2K-H"	76.91904
"598234"	803.31114	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+2K-H"	76.91904
"1084807"	319.04974	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2K-H"	76.91904
"142839"	281.093858	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"2M+2K"	77.926316
"583130"	402.159208	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"3M+2K"	77.926316
"1070199"	160.028508	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2K"	77.926316
"1103045"	321.064292	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2K+H"	78.933592
"1340523"	321.151907	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+DMSO+H"	79.021207
"1010147"	325.191076	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2ACN+H"	83.060376
"1535927"	326.184708	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+IsoProp+Na+H"	84.054008
"998003"	163.099176	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+2ACN+2H"	84.067652
"1593604"	327.099328	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+K+HCOOH"	84.968628
"1419265"	357.130838	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+H+CF3COOH"	115.000138
"1155021"	183.612451	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+3ACN+2H"	125.094202
"1704572"	374.157385	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+NH4+CF3COOH"	132.026685
"1646784"	379.11278	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+Na+CF3COOH"	136.98208
"1578061"	395.08672	"C14898"	"44a5678-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone"	"C16H18O2"	"242.1307"	"M+K+CF3COOH"	152.95602
"816775"	274.009	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M"	0
"988523"	254.99061	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H2O-H"	-19.01839
"76765"	181.665390666667	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-3H"	-3.021828
"518036"	273.001724	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-3H"	-3.021828
"894138"	90.3290573333333	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-3H"	-3.021828
"6153"	273.001724	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H"	-2.014552
"446808"	410.006224	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H"	-2.014552
"822421"	135.997224	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H"	-2.014552
"90069"	547.010724	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-H"	-1.007276
"526348"	821.019724	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-H"	-1.007276
"901959"	273.001724	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H"	-1.007276
"55242"	564.037271	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+NH4"	16.019271
"494802"	838.046271	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+NH4"	16.019271
"873699"	290.028271	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H+NH4"	16.019271
"42693"	568.992666	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+Na"	20.974666
"482985"	843.001666	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+Na"	20.974666
"861153"	294.983666	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H+Na"	20.974666
"1630687"	294.983666	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na-2H"	20.974666
"107580"	290.990063	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-H+Cl"	33.962126
"547871"	427.994563	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-H+Cl"	33.962126
"938100"	153.985563	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+Cl"	33.962126
"279937"	582.987402	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Cl"	34.969402
"666891"	856.996402	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+Cl"	34.969402
"1280387"	308.978402	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl"	34.969402
"28416"	584.966606	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M-2H+K"	36.948606
"458134"	858.975606	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M-2H+K"	36.948606
"837029"	310.957606	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-2H+K"	36.948606
"1565992"	310.957606	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K-2H"	36.948606
"951688"	319.007194	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+HCOOH"	44.998194
"364072"	593.016201	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+HCOOH-H"	44.998201
"350507"	607.031851	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Hac-H"	59.013851
"1503712"	333.022851	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Hac-H"	59.013851
"971981"	340.989151	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+NaCOOH"	66.980151
"113964"	308.978402	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2Cl"	69.938804
"554258"	445.982902	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2Cl"	69.938804
"1024150"	171.973902	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2Cl"	69.938804
"1252478"	352.927885	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Br"	78.918885
"1316021"	354.983872	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+HCOOH"	80.974872
"1333884"	376.965829	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+NaCOOH"	102.956829
"923483"	386.994586	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M-H+CF3COOH"	112.985586
"1301284"	422.971264	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Cl+CF3COOH"	148.962264
"1372887"	238.996324	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H-2H2O"	-35.012676
"1390382"	257.0063	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H-H2O"	-17.0027
"293350"	549.025276	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H"	1.007276
"682493"	823.034276	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H"	1.007276
"1357749"	275.016276	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H"	1.007276
"129543"	275.016276	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2H"	2.014552
"572383"	412.020776	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2H"	2.014552
"1042277"	138.011776	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2H"	2.014552
"211273"	183.679942666667	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+3H"	3.021828
"650832"	275.016276	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+3H"	3.021828
"1164579"	92.3436093333333	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+3H"	3.021828
"433327"	566.051823	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+NH4"	18.033823
"788485"	840.060823	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+NH4"	18.033823
"1683355"	292.042823	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+NH4"	18.033823
"333458"	283.5295495	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H+NH4"	19.041099
"725150"	420.5340495	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H+NH4"	19.041099
"1479335"	146.5250495	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+NH4"	19.041099
"394736"	571.007218	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Na"	22.989218
"755367"	845.016218	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+Na"	22.989218
"1603706"	296.998218	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na"	22.989218
"314838"	286.007247	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H+Na"	23.996494
"708846"	423.011747	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H+Na"	23.996494
"1464852"	149.002747	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+Na"	23.996494
"1058099"	99.6709233333333	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2H+Na"	25.00377
"1259778"	307.042486	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+CH3OH+H"	33.033486
"382726"	586.981158	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+K"	38.963158
"747733"	860.990158	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+K"	38.963158
"1547965"	312.972158	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K"	38.963158
"309149"	293.994217	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+H+K"	39.970434
"700840"	430.998717	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+H+K"	39.970434
"1453568"	156.989717	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+K"	39.970434
"246547"	590.051826	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+ACN+H"	42.033826
"1218165"	316.042826	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+H"	42.033826
"1202048"	158.525051	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+2H"	43.041102
"194918"	592.98916	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2Na-H"	44.97116
"638851"	866.99816	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2Na-H"	44.97116
"1142357"	318.98016	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2Na-H"	44.97116
"186741"	296.998218	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2Na"	45.978436
"625208"	434.002718	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2Na"	45.978436
"1128712"	159.993718	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2Na"	45.978436
"1405676"	106.998237333333	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+2Na"	46.985712
"1442168"	321.021746	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+HCOOH"	47.012746
"233567"	302.03124	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+3H2O+2H"	56.04448
"1523333"	335.07379	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+IsoProp+H"	61.06479
"419614"	304.985188	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+Na+K"	61.952376
"777692"	441.989688	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+Na+K"	61.952376
"1672566"	167.980688	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na+K"	61.952376
"259088"	612.033768	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+ACN+Na"	64.015768
"1232523"	338.024768	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+ACN+Na"	64.015768
"1718859"	338.048293	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+NH4+HCOOH"	64.039293
"1182755"	114.325551333333	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+3Na"	68.967654
"1651922"	343.003688	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na+HCOOH"	68.994688
"159517"	624.93704	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2K-H"	76.91904
"597980"	898.94604	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2K-H"	76.91904
"1085527"	350.92804	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2K-H"	76.91904
"141857"	312.972158	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"2M+2K"	77.926316
"582877"	449.976658	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"3M+2K"	77.926316
"1074321"	175.967658	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2K"	77.926316
"1104251"	352.942592	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2K+H"	78.933592
"1346103"	353.030207	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+DMSO+H"	79.021207
"1011354"	357.069376	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2ACN+H"	83.060376
"1530572"	358.063008	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+IsoProp+Na+H"	84.054008
"999210"	179.038326	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+2ACN+2H"	84.067652
"1591527"	358.977628	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K+HCOOH"	84.968628
"1419374"	389.009138	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+H+CF3COOH"	115.000138
"1155131"	199.551601	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+3ACN+2H"	125.094202
"1705775"	406.035685	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+NH4+CF3COOH"	132.026685
"1646894"	410.99108	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+Na+CF3COOH"	136.98208
"1578171"	426.96502	"C14899"	"3-Dehydro-L-gulonate 6-phosphate"	"C6H11O10P"	"274.009"	"M+K+CF3COOH"	152.95602
"812913"	255.1259	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M"	0
"982070"	236.10751	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H2O-H"	-19.01839
"76875"	169.076657333333	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-3H"	-3.021828
"517902"	254.118624	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-3H"	-3.021828
"894248"	84.0346906666667	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-3H"	-3.021828
"14767"	254.118624	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H"	-2.014552
"448011"	381.681574	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H"	-2.014552
"824718"	126.555674	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H"	-2.014552
"86899"	509.244524	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-H"	-1.007276
"528644"	764.370424	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-H"	-1.007276
"902069"	254.118624	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H"	-1.007276
"54259"	526.271071	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H+NH4"	16.019271
"494912"	781.396971	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H+NH4"	16.019271
"877821"	271.145171	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H+NH4"	16.019271
"43899"	531.226466	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H+Na"	20.974666
"484554"	786.352366	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H+Na"	20.974666
"861626"	276.100566	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H+Na"	20.974666
"1631890"	276.100566	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na-2H"	20.974666
"106232"	272.106963	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-H+Cl"	33.962126
"547614"	399.669913	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-H+Cl"	33.962126
"941491"	144.544013	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+Cl"	33.962126
"281142"	545.221202	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Cl"	34.969402
"672469"	800.347102	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+Cl"	34.969402
"1279406"	290.095302	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl"	34.969402
"28162"	547.200406	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H+K"	36.948606
"463711"	802.326306	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H+K"	36.948606
"839326"	292.074506	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H+K"	36.948606
"1567194"	292.074506	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K-2H"	36.948606
"948518"	300.124094	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+HCOOH"	44.998194
"365641"	555.250001	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+HCOOH-H"	44.998201
"351709"	569.265651	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Hac-H"	59.013851
"1503822"	314.139751	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Hac-H"	59.013851
"972457"	322.106051	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+NaCOOH"	66.980151
"120270"	290.095302	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2Cl"	69.938804
"560924"	417.658252	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2Cl"	69.938804
"1027540"	162.532352	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2Cl"	69.938804
"1251495"	334.044785	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Br"	78.918885
"1315038"	336.100772	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl+HCOOH"	80.974872
"1332536"	358.082729	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl+NaCOOH"	102.956829
"925416"	368.111486	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+CF3COOH"	112.985586
"1301760"	404.088164	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl+CF3COOH"	148.962264
"1371904"	220.113224	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H-2H2O"	-35.012676
"1392679"	238.1232	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H-H2O"	-17.0027
"294553"	511.259076	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H"	1.007276
"684790"	766.384976	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H"	1.007276
"1361139"	256.133176	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H"	1.007276
"130747"	256.133176	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2H"	2.014552
"574681"	383.696126	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2H"	2.014552
"1044574"	128.570226	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2H"	2.014552
"208103"	171.091209333333	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+3H"	3.021828
"650942"	256.133176	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+3H"	3.021828
"1167242"	86.0492426666667	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+3H"	3.021828
"434529"	528.285623	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+NH4"	18.033823
"787501"	783.411523	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+NH4"	18.033823
"1686383"	273.159723	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+NH4"	18.033823
"331255"	264.6464495	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H+NH4"	19.041099
"724531"	392.2093995	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H+NH4"	19.041099
"1479080"	137.0834995	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+NH4"	19.041099
"393875"	533.241018	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Na"	22.989218
"754628"	788.366918	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+Na"	22.989218
"1603331"	278.115118	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na"	22.989218
"315432"	267.124147	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H+Na"	23.996494
"711141"	394.687097	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H+Na"	23.996494
"1466057"	139.561197	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+Na"	23.996494
"1056021"	93.3765566666667	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2H+Na"	25.00377
"1260981"	288.159386	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+CH3OH+H"	33.033486
"385023"	549.214958	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+K"	38.963158
"748936"	804.340858	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+K"	38.963158
"1548075"	294.089058	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K"	38.963158
"313268"	275.111117	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H+K"	39.970434
"700950"	402.674067	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H+K"	39.970434
"1460125"	147.548167	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+K"	39.970434
"247751"	552.285626	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+ACN+H"	42.033826
"1220463"	297.159726	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+ACN+H"	42.033826
"1206533"	149.083501	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+ACN+2H"	43.041102
"198311"	555.22296	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2Na-H"	44.97116
"636776"	810.34886	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2Na-H"	44.97116
"1144655"	300.09706	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2Na-H"	44.97116
"184666"	278.115118	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2Na"	45.978436
"627024"	405.678068	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2Na"	45.978436
"1128823"	150.552168	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2Na"	45.978436
"1412717"	100.703870666667	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+2Na"	46.985712
"1441914"	302.138646	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+HCOOH"	47.012746
"232705"	283.14814	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+3H2O+2H"	56.04448
"1520039"	316.19069	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+IsoProp+H"	61.06479
"419724"	286.102088	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Na+K"	61.952376
"781813"	413.665038	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+Na+K"	61.952376
"1672311"	158.539138	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na+K"	61.952376
"257375"	574.267568	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+ACN+Na"	64.015768
"1228988"	319.141668	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+ACN+Na"	64.015768
"1718241"	319.165193	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+NH4+HCOOH"	64.039293
"1181042"	108.031184666667	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+3Na"	68.967654
"1653125"	324.120588	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na+HCOOH"	68.994688
"159627"	587.17084	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2K-H"	76.91904
"597726"	842.29674	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2K-H"	76.91904
"1084340"	332.04494	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2K-H"	76.91904
"141565"	294.089058	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2K"	77.926316
"581774"	421.652008	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2K"	77.926316
"1072245"	166.526108	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2K"	77.926316
"1101323"	334.059492	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2K+H"	78.933592
"1349493"	334.147107	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+DMSO+H"	79.021207
"1010369"	338.186276	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2ACN+H"	83.060376
"1530683"	339.179908	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+IsoProp+Na+H"	84.054008
"998225"	169.596776	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2ACN+2H"	84.067652
"1592728"	340.094528	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K+HCOOH"	84.968628
"1419484"	370.126038	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+CF3COOH"	115.000138
"1158523"	190.110051	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+3ACN+2H"	125.094202
"1704792"	387.152585	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+NH4+CF3COOH"	132.026685
"1647004"	392.10798	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na+CF3COOH"	136.98208
"1578281"	408.08192	"C14900"	"6-(1234-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K+CF3COOH"	152.95602
"808646"	255.1259	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M"	0
"984367"	236.10751	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H2O-H"	-19.01839
"76258"	169.076657333333	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-3H"	-3.021828
"518261"	254.118624	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-3H"	-3.021828
"895173"	84.0346906666667	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-3H"	-3.021828
"14879"	254.118624	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H"	-2.014552
"450308"	381.681574	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H"	-2.014552
"825922"	126.555674	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H"	-2.014552
"88102"	509.244524	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-H"	-1.007276
"529847"	764.370424	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-H"	-1.007276
"899993"	254.118624	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H"	-1.007276
"57650"	526.271071	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H+NH4"	16.019271
"496118"	781.396971	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H+NH4"	16.019271
"878175"	271.145171	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H+NH4"	16.019271
"46197"	531.226466	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H+Na"	20.974666
"484663"	786.352366	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H+Na"	20.974666
"861007"	276.100566	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H+Na"	20.974666
"1632608"	276.100566	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na-2H"	20.974666
"107438"	272.106963	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-H+Cl"	33.962126
"549181"	399.669913	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-H+Cl"	33.962126
"941601"	144.544013	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+Cl"	33.962126
"281252"	545.221202	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Cl"	34.969402
"672579"	800.347102	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+Cl"	34.969402
"1279516"	290.095302	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl"	34.969402
"28636"	547.200406	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M-2H+K"	36.948606
"467101"	802.326306	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M-2H+K"	36.948606
"839436"	292.074506	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-2H+K"	36.948606
"1568397"	292.074506	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K-2H"	36.948606
"946442"	300.124094	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+HCOOH"	44.998194
"365751"	555.250001	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+HCOOH-H"	44.998201
"357287"	569.265651	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Hac-H"	59.013851
"1505025"	314.139751	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Hac-H"	59.013851
"972569"	322.106051	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+NaCOOH"	66.980151
"120381"	290.095302	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2Cl"	69.938804
"564561"	417.658252	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2Cl"	69.938804
"1033117"	162.532352	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2Cl"	69.938804
"1249418"	334.044785	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Br"	78.918885
"1315146"	336.100772	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl+HCOOH"	80.974872
"1331917"	358.082729	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl+NaCOOH"	102.956829
"922607"	368.111486	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M-H+CF3COOH"	112.985586
"1301506"	404.088164	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Cl+CF3COOH"	148.962264
"1374201"	220.113224	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H-2H2O"	-35.012676
"1396070"	238.1232	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H-H2O"	-17.0027
"292477"	511.259076	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H"	1.007276
"683807"	766.384976	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H"	1.007276
"1357969"	256.133176	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H"	1.007276
"128670"	256.133176	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2H"	2.014552
"573698"	383.696126	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2H"	2.014552
"1040674"	128.570226	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2H"	2.014552
"208213"	171.091209333333	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+3H"	3.021828
"648865"	256.133176	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+3H"	3.021828
"1169904"	86.0492426666667	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+3H"	3.021828
"432452"	528.285623	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+NH4"	18.033823
"786271"	783.411523	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+NH4"	18.033823
"1683212"	273.159723	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+NH4"	18.033823
"331243"	264.6464495	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H+NH4"	19.041099
"723913"	392.2093995	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H+NH4"	19.041099
"1477736"	137.0834995	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+NH4"	19.041099
"393617"	533.241018	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Na"	22.989218
"754495"	788.366918	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+Na"	22.989218
"1603443"	278.115118	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na"	22.989218
"315179"	267.124147	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H+Na"	23.996494
"708335"	394.687097	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H+Na"	23.996494
"1469447"	139.561197	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+Na"	23.996494
"1057225"	93.3765566666667	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2H+Na"	25.00377
"1262184"	288.159386	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+CH3OH+H"	33.033486
"385133"	549.214958	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+K"	38.963158
"750505"	804.340858	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+K"	38.963158
"1553288"	294.089058	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K"	38.963158
"313014"	275.111117	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+H+K"	39.970434
"701060"	402.674067	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+H+K"	39.970434
"1460716"	147.548167	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+K"	39.970434
"246768"	552.285626	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+ACN+H"	42.033826
"1219480"	297.159726	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+ACN+H"	42.033826
"1209077"	149.083501	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+ACN+2H"	43.041102
"196233"	555.22296	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2Na-H"	44.97116
"639073"	810.34886	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2Na-H"	44.97116
"1138205"	300.09706	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2Na-H"	44.97116
"184775"	278.115118	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2Na"	45.978436
"625429"	405.678068	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2Na"	45.978436
"1131084"	150.552168	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2Na"	45.978436
"1412457"	100.703870666667	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+2Na"	46.985712
"1441296"	302.138646	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+HCOOH"	47.012746
"233181"	283.14814	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+3H2O+2H"	56.04448
"1520148"	316.19069	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+IsoProp+H"	61.06479
"418741"	286.102088	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+Na+K"	61.952376
"776456"	413.665038	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+Na+K"	61.952376
"1669504"	158.539138	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na+K"	61.952376
"257121"	574.267568	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+ACN+Na"	64.015768
"1229098"	319.141668	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+ACN+Na"	64.015768
"1717622"	319.165193	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+NH4+HCOOH"	64.039293
"1181152"	108.031184666667	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+3Na"	68.967654
"1651783"	324.120588	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na+HCOOH"	68.994688
"166299"	587.17084	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2K-H"	76.91904
"599296"	842.29674	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2K-H"	76.91904
"1085996"	332.04494	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2K-H"	76.91904
"146092"	294.089058	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"2M+2K"	77.926316
"582125"	421.652008	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"3M+2K"	77.926316
"1072355"	166.526108	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2K"	77.926316
"1101191"	334.059492	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2K+H"	78.933592
"1340855"	334.147107	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+DMSO+H"	79.021207
"1006711"	338.186276	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2ACN+H"	83.060376
"1534074"	339.179908	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+IsoProp+Na+H"	84.054008
"998336"	169.596776	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+2ACN+2H"	84.067652
"1593933"	340.094528	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K+HCOOH"	84.968628
"1423968"	370.126038	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+H+CF3COOH"	115.000138
"1158633"	190.110051	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+3ACN+2H"	125.094202
"1704902"	387.152585	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+NH4+CF3COOH"	132.026685
"1647114"	392.10798	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+Na+CF3COOH"	136.98208
"1578391"	408.08192	"C14901"	"1-Methyl-6-(1234-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C16H17NO2"	"255.1259"	"M+K+CF3COOH"	152.95602
"808756"	241.1103	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M"	0
"985570"	222.09191	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-H2O-H"	-19.01839
"66155"	159.732924	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M-3H"	-3.021828
"509006"	240.103024	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M-3H"	-3.021828
"893378"	79.362824	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-3H"	-3.021828
"15236"	240.103024	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M-2H"	-2.014552
"447139"	360.658174	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M-2H"	-2.014552
"829313"	119.547874	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-2H"	-2.014552
"84932"	481.213324	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M-H"	-1.007276
"526678"	722.323624	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M-H"	-1.007276
"904478"	240.103024	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-H"	-1.007276
"53388"	498.239871	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M-2H+NH4"	16.019271
"497322"	739.350171	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M-2H+NH4"	16.019271
"878040"	257.129571	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-2H+NH4"	16.019271
"44848"	503.195266	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M-2H+Na"	20.974666
"485501"	744.305566	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M-2H+Na"	20.974666
"861479"	262.084966	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-2H+Na"	20.974666
"1632111"	262.084966	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Na-2H"	20.974666
"107548"	258.091363	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M-H+Cl"	33.962126
"548198"	378.646513	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M-H+Cl"	33.962126
"942319"	137.536213	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-H+Cl"	33.962126
"280268"	517.190002	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+Cl"	34.969402
"672325"	758.300302	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+Cl"	34.969402
"1278532"	276.079702	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Cl"	34.969402
"26559"	519.169206	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M-2H+K"	36.948606
"461744"	760.279506	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M-2H+K"	36.948606
"836266"	278.058906	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-2H+K"	36.948606
"1566321"	278.058906	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+K-2H"	36.948606
"948009"	286.108494	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-H+HCOOH"	44.998194
"370234"	527.218801	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+HCOOH-H"	44.998201
"356304"	541.234451	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+Hac-H"	59.013851
"1501854"	300.124151	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Hac-H"	59.013851
"972675"	308.090451	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-H+NaCOOH"	66.980151
"117211"	276.079702	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+2Cl"	69.938804
"564914"	396.634852	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+2Cl"	69.938804
"1032135"	155.524552	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2Cl"	69.938804
"1254994"	320.029185	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Br"	78.918885
"1313069"	322.085172	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Cl+HCOOH"	80.974872
"1330567"	344.067129	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Cl+NaCOOH"	102.956829
"923810"	354.095886	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M-H+CF3COOH"	112.985586
"1302706"	390.072564	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Cl+CF3COOH"	148.962264
"1374311"	206.097624	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H-2H2O"	-35.012676
"1396180"	224.1076	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H-H2O"	-17.0027
"293680"	483.227876	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+H"	1.007276
"685011"	724.338176	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+H"	1.007276
"1358079"	242.117576	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H"	1.007276
"128781"	242.117576	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+2H"	2.014552
"566518"	362.672726	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+2H"	2.014552
"1042608"	121.562426	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2H"	2.014552
"211603"	161.747476	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+3H"	3.021828
"647517"	242.117576	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+3H"	3.021828
"1169287"	81.377376	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+3H"	3.021828
"431470"	500.254423	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+NH4"	18.033823
"789179"	741.364723	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+NH4"	18.033823
"1682958"	259.144123	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+NH4"	18.033823
"330262"	250.6308495	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+H+NH4"	19.041099
"725481"	371.1859995	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+H+NH4"	19.041099
"1478939"	130.0756995	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H+NH4"	19.041099
"393488"	505.209818	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+Na"	22.989218
"755577"	746.320118	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+Na"	22.989218
"1606717"	264.099518	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Na"	22.989218
"318939"	253.108547	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+H+Na"	23.996494
"709174"	373.663697	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+H+Na"	23.996494
"1468463"	132.553397	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H+Na"	23.996494
"1061708"	88.70469	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2H+Na"	25.00377
"1265575"	274.143786	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+CH3OH+H"	33.033486
"384149"	521.183758	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+K"	38.963158
"746969"	762.294058	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+K"	38.963158
"1553031"	280.073458	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+K"	38.963158
"308020"	261.095517	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+H+K"	39.970434
"701899"	381.650667	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+H+K"	39.970434
"1457179"	140.540367	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H+K"	39.970434
"248701"	524.254426	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+ACN+H"	42.033826
"1221777"	283.144126	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+ACN+H"	42.033826
"1209429"	142.075701	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+ACN+2H"	43.041102
"199623"	527.19176	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+2Na-H"	44.97116
"636997"	768.30206	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+2Na-H"	44.97116
"1142688"	286.08146	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2Na-H"	44.97116
"183792"	264.099518	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+2Na"	45.978436
"623352"	384.654668	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+2Na"	45.978436
"1131155"	143.544368	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2Na"	45.978436
"1413869"	96.032004	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H+2Na"	46.985712
"1444687"	288.123046	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H+HCOOH"	47.012746
"235440"	269.13254	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+3H2O+2H"	56.04448
"1522445"	302.17509	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+IsoProp+H"	61.06479
"421038"	272.086488	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+Na+K"	61.952376
"780940"	392.641638	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+Na+K"	61.952376
"1672166"	151.531338	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Na+K"	61.952376
"256497"	546.236368	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+ACN+Na"	64.015768
"1230301"	305.126068	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+ACN+Na"	64.015768
"1718826"	305.149593	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+NH4+HCOOH"	64.039293
"1180169"	103.359318	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+3Na"	68.967654
"1659548"	310.104988	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Na+HCOOH"	68.994688
"167503"	559.13964	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+2K-H"	76.91904
"598064"	800.24994	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+2K-H"	76.91904
"1086106"	318.02934	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2K-H"	76.91904
"145108"	280.073458	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"2M+2K"	77.926316
"582844"	400.628608	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"3M+2K"	77.926316
"1071371"	159.518308	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2K"	77.926316
"1103487"	320.043892	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2K+H"	78.933592
"1340965"	320.131507	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+DMSO+H"	79.021207
"1007916"	324.170676	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2ACN+H"	83.060376
"1533091"	325.164308	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+IsoProp+Na+H"	84.054008
"999540"	162.588976	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+2ACN+2H"	84.067652
"1592949"	326.078928	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+K+HCOOH"	84.968628
"1421891"	356.110438	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+H+CF3COOH"	115.000138
"1160930"	183.102251	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+3ACN+2H"	125.094202
"1706105"	373.136985	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+NH4+CF3COOH"	132.026685
"1647224"	378.09238	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+Na+CF3COOH"	136.98208
"1578501"	394.06632	"C14902"	"6-(1234-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone"	"C15H15NO2"	"241.1103"	"M+K+CF3COOH"	152.95602
"808866"	237.079	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M"	0
"984587"	218.06061	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-H2O-H"	-19.01839
"64079"	157.045390666667	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M-3H"	-3.021828
"510209"	236.071724	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M-3H"	-3.021828
"892394"	78.0190573333333	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-3H"	-3.021828
"14975"	236.071724	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M-2H"	-2.014552
"449434"	354.611224	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M-2H"	-2.014552
"829423"	117.532224	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-2H"	-2.014552
"83948"	473.150724	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M-H"	-1.007276
"528976"	710.229724	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M-H"	-1.007276
"904590"	236.071724	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-H"	-1.007276
"57872"	490.177271	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M-2H+NH4"	16.019271
"497432"	727.256271	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M-2H+NH4"	16.019271
"877420"	253.098271	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-2H+NH4"	16.019271
"43865"	495.132666	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M-2H+Na"	20.974666
"484882"	732.211666	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M-2H+Na"	20.974666
"862683"	258.053666	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-2H+Na"	20.974666
"1630035"	258.053666	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Na-2H"	20.974666
"109853"	254.060063	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M-H+Cl"	33.962126
"547215"	372.599563	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M-H+Cl"	33.962126
"939635"	135.520563	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-H+Cl"	33.962126
"278191"	509.127402	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+Cl"	34.969402
"669519"	746.206402	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+Cl"	34.969402
"1276456"	272.048402	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Cl"	34.969402
"26669"	511.106606	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M-2H+K"	36.948606
"464041"	748.185606	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M-2H+K"	36.948606
"836376"	274.027606	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-2H+K"	36.948606
"1566431"	274.027606	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+K-2H"	36.948606
"948848"	282.077194	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-H+HCOOH"	44.998194
"370344"	519.156201	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+HCOOH-H"	44.998201
"354227"	533.171851	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+Hac-H"	59.013851
"1500141"	296.092851	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Hac-H"	59.013851
"969870"	304.059151	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-H+NaCOOH"	66.980151
"114041"	272.048402	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+2Cl"	69.938804
"563807"	390.587902	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+2Cl"	69.938804
"1028965"	153.508902	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2Cl"	69.938804
"1252917"	315.997885	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Br"	78.918885
"1312086"	318.053872	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Cl+HCOOH"	80.974872
"1331769"	340.035829	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Cl+NaCOOH"	102.956829
"921732"	350.064586	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M-H+CF3COOH"	112.985586
"1301359"	386.041264	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Cl+CF3COOH"	148.962264
"1376608"	202.066324	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H-2H2O"	-35.012676
"1393010"	220.0763	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H-H2O"	-17.0027
"292696"	475.165276	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+H"	1.007276
"686211"	712.244276	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+H"	1.007276
"1358189"	238.086276	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H"	1.007276
"133265"	238.086276	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+2H"	2.014552
"567722"	356.625776	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+2H"	2.014552
"1044905"	119.546776	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2H"	2.014552
"213900"	159.059942666667	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+3H"	3.021828
"648356"	238.086276	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+3H"	3.021828
"1170491"	80.0336093333333	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+3H"	3.021828
"432674"	492.191823	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+NH4"	18.033823
"787833"	729.270823	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+NH4"	18.033823
"1683434"	255.112823	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+NH4"	18.033823
"334265"	246.5995495	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+H+NH4"	19.041099
"725228"	365.1390495	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+H+NH4"	19.041099
"1478077"	128.0600495	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H+NH4"	19.041099
"395543"	497.147218	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+Na"	22.989218
"755808"	734.226218	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+Na"	22.989218
"1606827"	260.068218	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Na"	22.989218
"320143"	249.077247	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+H+Na"	23.996494
"711472"	367.616747	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+H+Na"	23.996494
"1463106"	130.537747	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H+Na"	23.996494
"1061819"	87.3609233333333	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2H+Na"	25.00377
"1266050"	270.112486	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+CH3OH+H"	33.033486
"385353"	513.121158	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+K"	38.963158
"747079"	750.200158	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+K"	38.963158
"1549496"	276.042158	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+K"	38.963158
"307764"	257.064217	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+H+K"	39.970434
"699091"	375.603717	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+H+K"	39.970434
"1455832"	138.524717	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H+K"	39.970434
"250150"	516.191826	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+ACN+H"	42.033826
"1225170"	279.112826	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+ACN+H"	42.033826
"1206865"	140.060051	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+ACN+2H"	43.041102
"199733"	519.12916	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+2Na-H"	44.97116
"640387"	756.20816	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+2Na-H"	44.97116
"1143892"	282.05016	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2Na-H"	44.97116
"180621"	260.068218	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+2Na"	45.978436
"621275"	378.607718	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+2Na"	45.978436
"1129154"	141.528718	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2Na"	45.978436
"1409398"	94.6882373333333	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H+2Na"	46.985712
"1444071"	284.091746	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H+HCOOH"	47.012746
"233399"	265.10124	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+3H2O+2H"	56.04448
"1520368"	298.14379	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+IsoProp+H"	61.06479
"420055"	268.055188	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+Na+K"	61.952376
"777770"	386.594688	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+Na+K"	61.952376
"1670454"	149.515688	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Na+K"	61.952376
"254785"	538.173768	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+ACN+Na"	64.015768
"1228954"	301.094768	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+ACN+Na"	64.015768
"1718936"	301.118293	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+NH4+HCOOH"	64.039293
"1180400"	102.015551333333	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+3Na"	68.967654
"1656378"	306.073688	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Na+HCOOH"	68.994688
"167613"	551.07704	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+2K-H"	76.91904
"598907"	788.15604	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+2K-H"	76.91904
"1086216"	313.99804	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2K-H"	76.91904
"146312"	276.042158	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"2M+2K"	77.926316
"584780"	394.581658	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"3M+2K"	77.926316
"1071481"	157.502658	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2K"	77.926316
"1104692"	316.012592	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2K+H"	78.933592
"1343263"	316.100207	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+DMSO+H"	79.021207
"1009608"	320.139376	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2ACN+H"	83.060376
"1528827"	321.133008	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+IsoProp+Na+H"	84.054008
"998556"	160.573326	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+2ACN+2H"	84.067652
"1590872"	322.047628	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+K+HCOOH"	84.968628
"1420908"	352.079138	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+H+CF3COOH"	115.000138
"1158851"	181.086601	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+3ACN+2H"	125.094202
"1706215"	369.105685	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+NH4+CF3COOH"	132.026685
"1644054"	374.06108	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+Na+CF3COOH"	136.98208
"1578611"	390.03502	"C14903"	"23-Bis(p-hydroxyphenyl)acrylonitrile"	"C15H11NO2"	"237.079"	"M+K+CF3COOH"	152.95602
"808976"	236.095	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M"	0
"984697"	217.07661	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H2O-H"	-19.01839
"65647"	156.389390666667	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-3H"	-3.021828
"512500"	235.087724	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-3H"	-3.021828
"891411"	77.6910573333333	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-3H"	-3.021828
"14724"	235.087724	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H"	-2.014552
"448452"	353.135224	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H"	-2.014552
"829533"	117.040224	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H"	-2.014552
"89525"	471.182724	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-H"	-1.007276
"529085"	707.277724	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-H"	-1.007276
"900326"	235.087724	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H"	-1.007276
"55794"	488.209271	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H+NH4"	16.019271
"499729"	724.304271	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H+NH4"	16.019271
"877532"	252.114271	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H+NH4"	16.019271
"44708"	493.164666	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H+Na"	20.974666
"485360"	729.259666	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H+Na"	20.974666
"860243"	257.069666	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H+Na"	20.974666
"1632331"	257.069666	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na-2H"	20.974666
"108619"	253.076063	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-H+Cl"	33.962126
"548301"	371.123563	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-H+Cl"	33.962126
"938654"	135.028563	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+Cl"	33.962126
"279397"	507.159402	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Cl"	34.969402
"669631"	743.254402	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+Cl"	34.969402
"1283128"	271.064402	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl"	34.969402
"27873"	509.138606	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H+K"	36.948606
"464152"	745.233606	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H+K"	36.948606
"835393"	273.043606	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H+K"	36.948606
"1567633"	273.043606	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K-2H"	36.948606
"950052"	281.093194	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+HCOOH"	44.998194
"367174"	517.188201	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+HCOOH-H"	44.998201
"354337"	531.203851	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Hac-H"	59.013851
"1502074"	295.108851	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Hac-H"	59.013851
"971439"	303.075151	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+NaCOOH"	66.980151
"114151"	271.064402	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2Cl"	69.938804
"563917"	389.111902	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2Cl"	69.938804
"1033449"	153.016902	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2Cl"	69.938804
"1253027"	315.013885	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Br"	78.918885
"1312196"	317.069872	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl+HCOOH"	80.974872
"1330785"	339.051829	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl+NaCOOH"	102.956829
"920749"	349.080586	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+CF3COOH"	112.985586
"1300375"	385.057264	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl+CF3COOH"	148.962264
"1374531"	201.082324	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H-2H2O"	-35.012676
"1392026"	219.0923	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H-H2O"	-17.0027
"293900"	473.197276	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H"	1.007276
"686322"	709.292276	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H"	1.007276
"1360486"	237.102276	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H"	1.007276
"132283"	237.102276	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2H"	2.014552
"568926"	355.149776	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2H"	2.014552
"1042099"	119.054776	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2H"	2.014552
"214011"	158.403942666667	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+3H"	3.021828
"651383"	237.102276	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+3H"	3.021828
"1172788"	79.7056093333333	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+3H"	3.021828
"432785"	490.223823	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+NH4"	18.033823
"790495"	726.318823	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+NH4"	18.033823
"1685732"	254.128823	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+NH4"	18.033823
"333281"	245.6155495	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H+NH4"	19.041099
"724246"	363.6630495	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H+NH4"	19.041099
"1481346"	127.5680495	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+NH4"	19.041099
"396746"	495.179218	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Na"	22.989218
"756649"	731.274218	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+Na"	22.989218
"1604017"	259.084218	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na"	22.989218
"318065"	248.093247	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H+Na"	23.996494
"711581"	366.140747	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H+Na"	23.996494
"1465402"	130.045747	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+Na"	23.996494
"1059740"	87.0329233333333	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2H+Na"	25.00377
"1265795"	269.128486	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+CH3OH+H"	33.033486
"389108"	511.153158	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+K"	38.963158
"745364"	747.248158	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+K"	38.963158
"1550699"	275.058158	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K"	38.963158
"310061"	256.080217	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H+K"	39.970434
"702850"	374.127717	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H+K"	39.970434
"1455941"	138.032717	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+K"	39.970434
"246736"	514.223826	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+ACN+H"	42.033826
"1224065"	278.128826	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+ACN+H"	42.033826
"1209285"	139.568051	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+ACN+2H"	43.041102
"198750"	517.16116	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2Na-H"	44.97116
"642564"	753.25616	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2Na-H"	44.97116
"1145219"	281.06616	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2Na-H"	44.97116
"182919"	259.084218	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2Na"	45.978436
"621385"	377.131718	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2Na"	45.978436
"1130930"	141.036718	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2Na"	45.978436
"1410968"	94.3602373333333	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+2Na"	46.985712
"1440173"	283.107746	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+HCOOH"	47.012746
"229866"	264.11724	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+3H2O+2H"	56.04448
"1513917"	297.15979	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+IsoProp+H"	61.06479
"416884"	267.071188	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Na+K"	61.952376
"780796"	385.118688	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+Na+K"	61.952376
"1669471"	149.023688	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na+K"	61.952376
"255624"	536.205768	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+ACN+Na"	64.015768
"1230887"	300.110768	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+ACN+Na"	64.015768
"1720505"	300.134293	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+NH4+HCOOH"	64.039293
"1180389"	101.687551333333	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+3Na"	68.967654
"1656488"	305.089688	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na+HCOOH"	68.994688
"167359"	549.10904	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2K-H"	76.91904
"601813"	785.20404	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2K-H"	76.91904
"1088512"	313.01404	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2K-H"	76.91904
"147152"	275.058158	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2K"	77.926316
"585984"	393.105658	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2K"	77.926316
"1070499"	157.010658	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2K"	77.926316
"1101521"	315.028592	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2K+H"	78.933592
"1338269"	315.116207	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+DMSO+H"	79.021207
"1007894"	319.155376	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2ACN+H"	83.060376
"1526750"	320.149008	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+IsoProp+Na+H"	84.054008
"995386"	160.081326	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2ACN+2H"	84.067652
"1589524"	321.063628	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K+HCOOH"	84.968628
"1415182"	351.095138	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+CF3COOH"	115.000138
"1158961"	180.594601	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+3ACN+2H"	125.094202
"1703045"	368.121685	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+NH4+CF3COOH"	132.026685
"1634805"	373.07708	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na+CF3COOH"	136.98208
"1578721"	389.05102	"C14904"	"alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K+CF3COOH"	152.95602
"812366"	266.0265	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M"	0
"984807"	247.00811	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-H2O-H"	-19.01839
"68674"	176.343724	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M-3H"	-3.021828
"511517"	265.019224	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M-3H"	-3.021828
"892616"	87.668224	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-3H"	-3.021828
"14348"	265.019224	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M-2H"	-2.014552
"451841"	398.032474	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M-2H"	-2.014552
"831225"	132.005974	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-2H"	-2.014552
"90729"	531.045724	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M-H"	-1.007276
"531991"	797.072224	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M-H"	-1.007276
"906998"	265.019224	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-H"	-1.007276
"60279"	548.072271	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M-2H+NH4"	16.019271
"498747"	814.098771	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M-2H+NH4"	16.019271
"878860"	282.045771	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-2H+NH4"	16.019271
"45791"	553.027666	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M-2H+Na"	20.974666
"484620"	819.054166	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M-2H+Na"	20.974666
"863273"	287.001166	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-2H+Na"	20.974666
"1633902"	287.001166	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Na-2H"	20.974666
"104598"	283.007563	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M-H+Cl"	33.962126
"545251"	416.020813	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M-H+Cl"	33.962126
"938764"	149.994313	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-H+Cl"	33.962126
"279510"	567.022402	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+Cl"	34.969402
"674239"	833.048902	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+Cl"	34.969402
"1287376"	300.995902	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Cl"	34.969402
"27985"	569.001606	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M-2H+K"	36.948606
"464262"	835.028106	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M-2H+K"	36.948606
"845344"	302.975106	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-2H+K"	36.948606
"1566650"	302.975106	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+K-2H"	36.948606
"955266"	311.024694	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-H+HCOOH"	44.998194
"373117"	577.051201	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+HCOOH-H"	44.998201
"358822"	591.066851	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+Hac-H"	59.013851
"1504739"	325.040351	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Hac-H"	59.013851
"968269"	333.006651	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-H+NaCOOH"	66.980151
"120458"	300.995902	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+2Cl"	69.938804
"563664"	434.009152	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+2Cl"	69.938804
"1031372"	167.982652	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2Cl"	69.938804
"1254231"	344.945385	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Br"	78.918885
"1314493"	347.001372	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Cl+HCOOH"	80.974872
"1332354"	368.983329	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Cl+NaCOOH"	102.956829
"919766"	379.012086	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M-H+CF3COOH"	112.985586
"1297568"	414.988764	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Cl+CF3COOH"	148.962264
"1381200"	231.013824	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H-2H2O"	-35.012676
"1392501"	249.0238	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H-H2O"	-17.0027
"296199"	533.060276	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+H"	1.007276
"688620"	799.086776	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+H"	1.007276
"1358409"	267.033776	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H"	1.007276
"131300"	267.033776	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+2H"	2.014552
"578513"	400.047026	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+2H"	2.014552
"1048045"	134.020526	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2H"	2.014552
"215214"	178.358276	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+3H"	3.021828
"654773"	267.033776	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+3H"	3.021828
"1171805"	89.682776	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+3H"	3.021828
"435082"	550.086823	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+NH4"	18.033823
"790606"	816.113323	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+NH4"	18.033823
"1688030"	284.060323	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+NH4"	18.033823
"338497"	275.5470495	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+H+NH4"	19.041099
"732012"	408.5602995	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+H+NH4"	19.041099
"1483646"	142.5337995	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H+NH4"	19.041099
"397953"	555.042218	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+Na"	22.989218
"757856"	821.068718	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+Na"	22.989218
"1603519"	289.015718	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Na"	22.989218
"320366"	278.024747	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+H+Na"	23.996494
"711695"	411.037997	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+H+Na"	23.996494
"1467701"	145.011497	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H+Na"	23.996494
"1063863"	97.01009	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2H+Na"	25.00377
"1267364"	299.059986	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+CH3OH+H"	33.033486
"387031"	571.016158	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+K"	38.963158
"745474"	837.042658	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+K"	38.963158
"1551174"	304.989658	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+K"	38.963158
"309807"	286.011717	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+H+K"	39.970434
"704054"	419.024967	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+H+K"	39.970434
"1456780"	152.998467	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H+K"	39.970434
"246845"	574.086826	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+ACN+H"	42.033826
"1223566"	308.060326	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+ACN+H"	42.033826
"1209722"	154.533801	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+ACN+2H"	43.041102
"201777"	577.02416	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+2Na-H"	44.97116
"643526"	843.05066	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+2Na-H"	44.97116
"1144968"	310.99766	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2Na-H"	44.97116
"184851"	289.015718	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+2Na"	45.978436
"625873"	422.028968	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+2Na"	45.978436
"1128650"	156.002468	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2Na"	45.978436
"1410718"	104.337404	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H+2Na"	46.985712
"1444292"	313.039246	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H+HCOOH"	47.012746
"232894"	294.04874	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+3H2O+2H"	56.04448
"1520956"	327.09129	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+IsoProp+H"	61.06479
"420641"	297.002688	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+Na+K"	61.952376
"780542"	430.015938	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+Na+K"	61.952376
"1670310"	163.989438	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Na+K"	61.952376
"255734"	596.068768	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+ACN+Na"	64.015768
"1229174"	330.042268	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+ACN+Na"	64.015768
"1718428"	330.065793	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+NH4+HCOOH"	64.039293
"1180499"	111.664718	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+3Na"	68.967654
"1656598"	335.021188	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Na+HCOOH"	68.994688
"167469"	608.97204	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+2K-H"	76.91904
"605934"	874.99854	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+2K-H"	76.91904
"1087530"	342.94554	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2K-H"	76.91904
"145440"	304.989658	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"2M+2K"	77.926316
"585002"	438.002908	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"3M+2K"	77.926316
"1071702"	171.976408	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2K"	77.926316
"1101631"	344.960092	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2K+H"	78.933592
"1341299"	345.047707	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+DMSO+H"	79.021207
"1010923"	349.086876	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2ACN+H"	83.060376
"1530141"	350.080508	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+IsoProp+Na+H"	84.054008
"997682"	175.047076	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+2ACN+2H"	84.067652
"1588174"	350.995128	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+K+HCOOH"	84.968628
"1415292"	381.026638	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+H+CF3COOH"	115.000138
"1157978"	195.560351	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+3ACN+2H"	125.094202
"1703155"	398.053185	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+NH4+CF3COOH"	132.026685
"1636616"	403.00858	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+Na+CF3COOH"	136.98208
"1572269"	418.98252	"C14905"	"2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol"	"C14H12Cl2O"	"266.0265"	"M+K+CF3COOH"	152.95602
"805915"	288.2453	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M"	0
"986010"	269.22691	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"68784"	191.156257333333	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"509439"	287.238024	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"882137"	95.0744906666666	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"15425"	287.238024	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"454129"	431.360674	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"829753"	143.115374	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"87555"	575.483324	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"530396"	863.728624	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"901638"	287.238024	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"54919"	592.509871	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"499950"	880.755171	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"876658"	304.264571	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"40185"	597.465266	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"484847"	885.710566	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"861920"	309.219966	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1632554"	309.219966	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"102521"	305.226363	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"543174"	449.349013	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"935593"	161.103713	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"281563"	611.460002	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"669851"	899.705302	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1286632"	323.214702	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"26998"	613.439206	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"462184"	901.684506	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"834519"	325.193906	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1569677"	325.193906	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"950270"	333.243494	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"372860"	621.488801	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"355649"	635.504451	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1506672"	347.259151	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"970931"	355.225451	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"123848"	323.214702	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"562682"	467.337352	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1027108"	179.092052	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1247780"	367.164185	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1313509"	369.220172	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1329909"	391.202129	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"919873"	401.230886	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1296583"	437.207564	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1376570"	253.232624	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1391149"	271.2426	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"295942"	577.497876	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"688364"	865.743176	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1364717"	289.252576	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"138337"	289.252576	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"577896"	433.375226	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1048519"	145.129926	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"217512"	193.170809333333	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"653790"	289.252576	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1174102"	97.0890426666667	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"435192"	594.524423	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"796183"	882.769723	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1692515"	306.279123	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"338607"	297.7658495	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"731030"	441.8884995	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1483756"	153.6431995	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"398063"	599.479818	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"760155"	887.725118	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1609345"	311.234518	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"320476"	300.243547	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"717637"	444.366197	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1471091"	156.120897	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1062879"	104.416356666667	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1267838"	321.278786	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"386776"	615.453758	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"744491"	903.699058	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1552012"	327.208458	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"308095"	308.230517	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"703070"	452.353167	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1456525"	164.107867	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"244768"	618.524426	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1224893"	330.279126	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1209142"	165.643201	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"202984"	621.46176	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"643965"	909.70706	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1144590"	333.21646	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"187029"	311.234518	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"625254"	455.357168	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1127299"	167.111868	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1412286"	111.743670666667	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1445338"	335.258046	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"233733"	316.26754	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1523254"	349.31009	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"419658"	319.221488	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"781020"	463.344138	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1677713"	175.098838	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"260949"	640.506368	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1235482"	352.261068	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1721453"	352.284593	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1183526"	119.070984666667	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1659990"	357.239988	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"170131"	653.40964	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"599849"	941.65494	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1087641"	365.16434	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"144458"	327.208458	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"583047"	471.331108	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1069989"	183.085808	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1102106"	367.178892	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1337274"	367.266507	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1009939"	371.305676	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1525023"	372.299308	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"993418"	186.156476	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1588042"	373.213928	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1414426"	403.245438	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1158088"	206.669751	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1699985"	420.271985	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1634290"	425.22738	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1571322"	441.20132	"C14906"	"(5alpha17beta)-3-Methyl-androst-2-en-17-ol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"811495"	302.1882	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M"	0
"986120"	283.16981	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"74365"	200.451524	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"506270"	301.180924	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"889539"	99.722124	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"8119"	301.180924	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"445494"	452.275024	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"826581"	150.086824	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"87666"	603.369124	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"525043"	905.557324	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"901750"	301.180924	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"56121"	620.395671	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"495687"	922.583871	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"871302"	318.207471	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"39202"	625.351066	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"482042"	927.539266	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"858750"	323.162866	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1630471"	323.162866	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"109072"	319.169263	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"547658"	470.263363	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"942104"	168.075163	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"279727"	639.345802	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"669961"	941.534002	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1287471"	337.157602	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"27109"	641.325006	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"466670"	943.513206	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"841190"	339.136806	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1568693"	339.136806	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"952567"	347.186394	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"369691"	649.374601	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"354667"	663.390251	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1504595"	361.202051	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"971773"	369.168351	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"124570"	337.157602	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"563158"	488.251702	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1035600"	186.063502	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1251170"	381.107085	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1313619"	383.163072	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1325645"	405.145029	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"917797"	415.173786	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1295599"	451.150464	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1377045"	267.175524	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1393447"	285.1855	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"294234"	605.383676	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"689206"	907.571876	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1366286"	303.195476	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"129335"	303.195476	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"576551"	454.289576	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1048266"	152.101376	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"217987"	202.466076	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"657914"	303.195476	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1176038"	101.736676	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"432024"	622.410223	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"787551"	924.598423	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1684244"	320.222023	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"334347"	311.7087495	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"726768"	462.8028495	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1486055"	160.6146495	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"401460"	627.365618	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"762451"	929.553818	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1609456"	325.177418	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"321681"	314.186447	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"714102"	465.280547	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1472296"	163.092347	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1063353"	109.06399	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1262844"	335.221686	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"386885"	643.339558	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"741319"	945.527758	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1549934"	341.151358	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"308205"	322.173417	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"703908"	473.267517	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1454447"	171.079317	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"251082"	646.410226	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1225370"	344.222026	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1208399"	172.614651	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"202366"	649.34756	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"643259"	951.53576	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1144703"	347.15936	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"185807"	325.177418	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"626094"	476.271518	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1127047"	174.083318	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1409477"	116.391304	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1443420"	349.200946	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"233480"	330.21044	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1521543"	363.25299	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"419401"	333.164388	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"781127"	484.258488	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1679285"	182.070288	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"259966"	668.392168	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1231582"	366.203968	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1719376"	366.227493	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1191294"	123.718618	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1662288"	371.182888	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"169877"	681.29544	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"598987"	983.48364	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1085807"	379.10724	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"150035"	341.151358	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"587411"	492.245458	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1071924"	190.057258	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1102582"	381.121792	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1338602"	381.209407	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1011143"	385.248576	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1527445"	386.242208	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"994622"	193.127926	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1588397"	387.156828	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1414227"	417.188338	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1156011"	213.641201	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1700095"	434.214885	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1644494"	439.17028	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1579051"	455.14422	"C14907"	"7alpha17beta-Dihydroxyandrosta-14-dien-3-one"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"815615"	289.1678	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M"	0
"985137"	270.14941	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"76661"	191.771257333333	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"518219"	288.160524	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"895364"	95.3819906666667	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"4950"	288.160524	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"448884"	432.744424	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"826693"	143.576624	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"88870"	577.328324	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"527340"	866.496124	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"906231"	288.160524	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"54045"	594.354871	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"493610"	883.522671	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"870315"	305.187071	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"40406"	599.310266	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"485435"	888.478066	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"863239"	310.142466	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1632897"	310.142466	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"109182"	306.148863	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"547768"	450.732763	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"941650"	161.564963	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"279836"	613.305002	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"674932"	902.472802	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1286127"	324.137202	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"28683"	615.284206	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"470063"	904.452006	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"845679"	326.116406	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1565889"	326.116406	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"949399"	334.165994	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"367615"	623.333801	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"351498"	637.349451	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1502518"	348.181651	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"972245"	356.147951	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"120064"	324.137202	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"560718"	468.721102	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1033890"	179.553302	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1248003"	368.086685	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1310813"	370.142672	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1330133"	392.124629	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"920098"	402.153386	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1295712"	438.130064	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1379708"	254.155124	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1393557"	272.1651	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"284865"	579.342876	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"680202"	868.510676	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1363114"	290.175076	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"131632"	290.175076	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"578118"	434.758976	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1047283"	145.591176	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"218098"	193.785809333333	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"657293"	290.175076	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1174694"	97.3965426666667	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"427762"	596.369423	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"789847"	885.537223	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1683992"	307.201623	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"332271"	298.6883495	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"731253"	443.2722495	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1482884"	154.1044495	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"399380"	601.324818	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"760374"	890.492618	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1609566"	312.157018	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"322886"	301.166047	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"714214"	445.749947	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1466939"	156.582147	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1059094"	104.723856666667	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1268424"	322.201286	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"390278"	617.298758	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"743618"	906.466558	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1540364"	328.130958	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"314258"	309.153017	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"704749"	453.736917	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1454558"	164.569117	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"251398"	620.369426	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1224871"	331.201626	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1206690"	166.104451	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"201382"	623.30676	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"641304"	912.47456	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1141164"	334.13896	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"183727"	312.157018	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"624384"	456.740918	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1127887"	167.573118	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1406675"	112.051170666667	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1440615"	336.180546	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"231404"	317.19004	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1519464"	350.23259	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"420607"	320.143988	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"783067"	464.727888	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1678670"	175.560088	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"264461"	642.351368	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1237900"	353.183568	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1727144"	353.207093	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1191040"	119.378484666667	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1664587"	358.162488	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"168164"	655.25464	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"603350"	944.42244	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1091142"	366.08684	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"153061"	328.130958	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"584240"	472.714858	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1069846"	183.547058	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1100989"	368.101392	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1340535"	368.189007	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1006876"	372.228176	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1529379"	373.221808	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"993641"	186.617726	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1587289"	374.136428	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1421460"	404.167938	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1153935"	207.131001	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1698382"	421.194485	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1644604"	426.14988	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1579161"	442.12382	"C14908"	"3-Ethyl-1346711b-hexahydro-910-dimethoxy-2H-benzoaquinolizin-2-one"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"813903"	300.1725	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M"	0
"986340"	281.15411	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"76771"	199.107724	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"506490"	299.165224	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"895112"	99.050224	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"5060"	299.165224	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"452274"	449.251474	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"827896"	149.078974	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"90803"	599.337724	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"527450"	899.510224	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"900877"	299.165224	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"54159"	616.364271	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"493720"	916.536771	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"869335"	316.191771	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"36143"	621.319666	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"481171"	921.492166	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"861160"	321.147166	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1632155"	321.147166	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"108320"	317.153563	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"549376"	467.239813	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"941516"	167.067313	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"279946"	635.314402	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"672368"	935.486902	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1288055"	335.141902	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"29887"	637.293606	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"469078"	937.466106	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"848140"	337.121106	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1567088"	337.121106	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"949509"	345.170694	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"367725"	645.343201	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"359992"	659.358851	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1499351"	359.186351	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"969078"	367.152651	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"120174"	335.141902	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"563015"	485.228152	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1036186"	185.055652	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1251393"	379.091385	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1310559"	381.147372	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1331336"	403.129329	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"925311"	413.158086	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1299832"	449.134764	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1380182"	265.159824	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1392574"	283.1698	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"291171"	601.352276	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"687970"	901.524776	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1366142"	301.179776	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"133566"	301.179776	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"577499"	451.266026	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1048852"	151.093526	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"217116"	201.122276	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"657405"	301.179776	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1175169"	101.064776	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"428965"	618.378823	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"792145"	918.551323	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1684103"	318.206323	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"334568"	309.6930495	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"728086"	459.7792995	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1481902"	159.6067995	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"398399"	623.334218	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"758300"	923.506718	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1608584"	323.161718	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"322995"	312.170747	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"714323"	462.256997	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1467049"	162.084497	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1058111"	108.39209	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1267443"	333.205986	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"390754"	639.308158	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"742635"	939.480658	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1542499"	339.135658	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"311710"	320.157717	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"699753"	470.243967	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1453575"	170.071467	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"250810"	642.378826	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1221458"	342.206326	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1205341"	171.606801	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"202588"	645.31616	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"639957"	945.48866	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1143464"	345.14366	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"185295"	323.161718	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"622669"	473.247968	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1126907"	173.075468	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1411526"	115.719404	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1438900"	347.185246	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"231148"	328.19474	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1519211"	361.23729	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"418529"	331.148688	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"781718"	481.234938	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1679509"	181.062438	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"265299"	664.360768	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1238738"	364.188268	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1726648"	364.211793	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1190421"	123.046718	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1665474"	369.167188	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"171193"	677.26404	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"607834"	977.43654	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1097084"	377.09154	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"154629"	339.135658	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"590911"	489.221908	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1072145"	189.049408	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1106447"	379.106092	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1345019"	379.193707	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1011364"	383.232876	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1533866"	384.226508	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"998126"	192.120076	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1589348"	385.141128	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1422664"	415.172638	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1154045"	212.633351	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1697156"	432.199185	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1644714"	437.15458	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1579271"	453.12852	"C14909"	"9alpha-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"815108"	338.2057	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M"	0
"986450"	319.18731	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-H2O-H"	-19.01839
"76885"	224.463190666667	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M-3H"	-3.021828
"507693"	337.198424	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M-3H"	-3.021828
"895636"	111.727957333333	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-3H"	-3.021828
"5170"	337.198424	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M-2H"	-2.014552
"449103"	506.301274	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M-2H"	-2.014552
"825820"	168.095574	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-2H"	-2.014552
"89091"	675.404124	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M-H"	-1.007276
"523187"	1013.609824	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M-H"	-1.007276
"904267"	337.198424	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-H"	-1.007276
"50990"	692.430671	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M-2H+NH4"	16.019271
"490551"	1030.636371	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M-2H+NH4"	16.019271
"868352"	354.224971	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-2H+NH4"	16.019271
"41719"	697.386066	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M-2H+Na"	20.974666
"480185"	1035.591766	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M-2H+Na"	20.974666
"857990"	359.180366	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-2H+Na"	20.974666
"1631903"	359.180366	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Na-2H"	20.974666
"107338"	355.186763	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M-H+Cl"	33.962126
"548594"	524.289613	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M-H+Cl"	33.962126
"940414"	186.083913	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-H+Cl"	33.962126
"280056"	711.380802	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+Cl"	34.969402
"672479"	1049.586502	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+Cl"	34.969402
"1285980"	373.175102	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Cl"	34.969402
"29268"	713.360006	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M-2H+K"	36.948606
"468824"	1051.565706	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M-2H+K"	36.948606
"847359"	375.154306	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-2H+K"	36.948606
"1562824"	375.154306	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+K-2H"	36.948606
"953994"	383.203894	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-H+HCOOH"	44.998194
"372212"	721.409601	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+HCOOH-H"	44.998201
"356094"	735.425251	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+Hac-H"	59.013851
"1499461"	397.219551	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Hac-H"	59.013851
"970282"	405.185851	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-H+NaCOOH"	66.980151
"118097"	373.175102	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+2Cl"	69.938804
"562031"	542.277952	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+2Cl"	69.938804
"1029736"	204.072252	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2Cl"	69.938804
"1248223"	417.124585	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Br"	78.918885
"1308483"	419.180572	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Cl+HCOOH"	80.974872
"1330353"	441.162529	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Cl+NaCOOH"	102.956829
"923234"	451.191286	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M-H+CF3COOH"	112.985586
"1300671"	487.167964	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Cl+CF3COOH"	148.962264
"1380292"	303.193024	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H-2H2O"	-35.012676
"1392684"	321.203	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H-H2O"	-17.0027
"293469"	677.418676	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+H"	1.007276
"688080"	1015.624376	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+H"	1.007276
"1366252"	339.212976	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H"	1.007276
"132947"	339.212976	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+2H"	2.014552
"578704"	508.315826	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+2H"	2.014552
"1050420"	170.110126	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2H"	2.014552
"216861"	226.477742666667	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+3H"	3.021828
"657879"	339.212976	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+3H"	3.021828
"1174916"	113.742509333333	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+3H"	3.021828
"427983"	694.445223	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+NH4"	18.033823
"795536"	1032.650923	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+NH4"	18.033823
"1687494"	356.239523	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+NH4"	18.033823
"335771"	347.7262495	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+H+NH4"	19.041099
"728193"	516.8290995	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+H+NH4"	19.041099
"1480920"	178.6233995	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H+NH4"	19.041099
"396323"	699.400618	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+Na"	22.989218
"758411"	1037.606318	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+Na"	22.989218
"1608696"	361.194918	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Na"	22.989218
"322012"	350.203947	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+H+Na"	23.996494
"713340"	519.306797	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+H+Na"	23.996494
"1467159"	181.101097	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H+Na"	23.996494
"1063689"	121.069823333333	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2H+Na"	25.00377
"1270593"	371.239186	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+CH3OH+H"	33.033486
"390500"	715.374558	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+K"	38.963158
"742745"	1053.580258	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+K"	38.963158
"1545891"	377.168858	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+K"	38.963158
"313282"	358.190917	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+H+K"	39.970434
"699863"	527.293767	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+H+K"	39.970434
"1453685"	189.088067	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H+K"	39.970434
"250881"	718.445226	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+ACN+H"	42.033826
"1219382"	380.239526	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+ACN+H"	42.033826
"1206181"	190.623401	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+ACN+2H"	43.041102
"201972"	721.38256	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+2Na-H"	44.97116
"637882"	1059.58826	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+2Na-H"	44.97116
"1142479"	383.17686	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2Na-H"	44.97116
"183583"	361.194918	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+2Na"	45.978436
"622049"	530.297768	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+2Na"	45.978436
"1127745"	192.092068	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2Na"	45.978436
"1411636"	128.397137333333	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H+2Na"	46.985712
"1443023"	385.218446	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H+HCOOH"	47.012746
"229799"	366.22794	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+3H2O+2H"	56.04448
"1520416"	399.27049	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+IsoProp+H"	61.06479
"416453"	369.181888	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+Na+K"	61.952376
"780732"	538.284738	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+Na+K"	61.952376
"1673782"	200.079038	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Na+K"	61.952376
"263949"	740.427168	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+ACN+Na"	64.015768
"1236658"	402.221468	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+ACN+Na"	64.015768
"1722991"	402.244993	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+NH4+HCOOH"	64.039293
"1185064"	135.724451333333	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+3Na"	68.967654
"1665175"	407.200388	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Na+HCOOH"	68.994688
"169479"	753.33044	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+2K-H"	76.91904
"607945"	1091.53614	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+2K-H"	76.91904
"1097559"	415.12474	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2K-H"	76.91904
"152554"	377.168858	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"2M+2K"	77.926316
"593208"	546.271708	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"3M+2K"	77.926316
"1074442"	208.066008	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2K"	77.926316
"1107651"	417.139292	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2K+H"	78.933592
"1344036"	417.226907	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+DMSO+H"	79.021207
"1011474"	421.266076	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2ACN+H"	83.060376
"1537257"	422.259708	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+IsoProp+Na+H"	84.054008
"999331"	211.136676	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+2ACN+2H"	84.067652
"1590551"	423.174328	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+K+HCOOH"	84.968628
"1422774"	453.205838	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+H+CF3COOH"	115.000138
"1156342"	231.649951	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+3ACN+2H"	125.094202
"1697751"	470.232385	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+NH4+CF3COOH"	132.026685
"1641544"	475.18778	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+Na+CF3COOH"	136.98208
"1579381"	491.16172	"C14910"	"44-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one"	"C20H28F2O2"	"338.2057"	"M+K+CF3COOH"	152.95602
"813030"	292.2038	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M"	0
"986560"	273.18541	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"77889"	193.795257333333	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"518260"	291.196524	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"895567"	96.3939906666667	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"11840"	291.196524	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"452494"	437.298424	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"828117"	145.094624	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"89201"	583.400324	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"525483"	875.604124	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"901097"	291.196524	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"57657"	600.426871	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"490661"	892.630671	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"865302"	308.223071	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"41829"	605.382266	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"480295"	897.586066	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"857006"	313.178466	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1633469"	313.178466	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"108785"	309.184863	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"545909"	455.286763	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"941134"	163.082963	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"280045"	619.377002	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"672468"	911.580802	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1286091"	327.173202	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"30105"	621.356206	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"469298"	913.560006	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"847715"	329.152406	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1565121"	329.152406	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"953010"	337.201994	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"373417"	629.405801	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"358391"	643.421451	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1503944"	351.217651	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"970392"	359.183951	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"120394"	327.173202	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"561048"	473.275102	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1028023"	181.071302	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1253801"	371.122685	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1318070"	373.178672	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1333380"	395.160629	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"920428"	405.189386	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1298229"	441.166064	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1379673"	257.191124	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1391701"	275.2011	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"296862"	585.414876	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"689648"	877.618676	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1365268"	293.211076	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"133057"	293.211076	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"579423"	439.312976	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1051258"	147.109176	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"216606"	195.809809333333	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"657623"	293.211076	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1176362"	98.4085426666667	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"433561"	602.441423	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"796740"	894.645223	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1685417"	310.237623	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"332964"	301.7243495	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"727209"	447.8262495	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1479938"	155.6224495	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"399712"	607.396818	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"760705"	899.600618	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1609897"	315.193018	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"316654"	304.202047	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"714544"	450.303947	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1467270"	158.100147	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1065985"	105.735856666667	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1271675"	325.237286	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"391702"	623.370758	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"742125"	915.574558	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1543815"	331.166958	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"313753"	312.189017	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"698880"	458.290917	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1452701"	166.087117	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"250905"	626.441426	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1222771"	334.237626	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1206291"	167.622451	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"201957"	629.37876	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"639086"	921.58256	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1144051"	337.17496	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"181508"	315.193018	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"622159"	461.294918	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1128826"	169.091118	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1412350"	113.063170666667	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1443494"	339.216546	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"229905"	320.22604	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1521618"	353.26859	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"418749"	323.179988	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"784122"	469.281888	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1673892"	177.078088	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"263328"	648.423368	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1236403"	356.219568	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1724194"	356.243093	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1186267"	120.390484666667	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1665041"	361.198488	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"164122"	661.32664	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"604775"	953.53044	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1094754"	369.12284	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"150478"	331.166958	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"593318"	477.268858	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1072365"	185.065058	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1107762"	371.137392	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1344146"	371.225007	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1014866"	375.264176	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1530806"	376.257808	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"998348"	188.135726	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1589569"	377.172428	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1422883"	407.203938	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1156452"	208.649001	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1697497"	424.230485	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1641654"	429.18588	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1579491"	445.15982	"C14911"	"17beta-Hydroxy-2-oxa-5alpha-androstan-3-one"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"802442"	304.2038	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M"	0
"985577"	285.18541	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"78194"	201.795257333333	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"518084"	303.196524	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"895366"	100.393990666667	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"13043"	303.196524	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"449325"	455.298424	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"826040"	151.094624	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"89310"	607.400324	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"528873"	911.604124	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"904487"	303.196524	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"56673"	624.426871	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"496238"	928.630671	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"867478"	320.223071	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"41939"	629.382266	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"481499"	933.586066	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"856023"	325.178466	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1633945"	325.178466	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"109260"	321.184863	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"547843"	473.286763	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"940263"	169.082963	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"281008"	643.377002	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"672699"	947.580802	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1287658"	339.173202	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"29491"	645.356206	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"470868"	949.560006	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"848188"	341.152406	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1569971"	341.152406	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"954212"	349.201994	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"373163"	653.405801	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"358137"	667.421451	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1502961"	363.217651	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"968682"	371.183951	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"117225"	339.173202	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"560065"	491.275102	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1027769"	187.071302	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1251723"	383.122685	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1315264"	385.178672	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1333490"	407.160629	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"920538"	417.189386	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1295059"	453.166064	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1379055"	269.191124	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1391811"	287.2011	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"296972"	609.414876	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"690486"	913.618676	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1366431"	305.211076	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"135354"	305.211076	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"578562"	457.312976	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1048816"	153.109176	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"216716"	203.809809333333	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"652265"	305.211076	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1176956"	102.408542666667	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"434764"	626.441423	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"792476"	930.645223	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1685528"	322.237623	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"332713"	313.7243495	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"726227"	465.8262495	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1478955"	161.6224495	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"399822"	631.396818	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"761910"	935.600618	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1610007"	327.193018	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"320045"	316.202047	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"716840"	468.303947	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1466287"	164.100147	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1068478"	109.735856666667	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1272722"	337.237286	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"390719"	647.370758	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"744057"	951.574558	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1546111"	343.166958	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"313863"	324.189017	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"698990"	476.290917	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1453904"	172.087117	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"251262"	650.441426	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1222881"	346.237626	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1206402"	173.622451	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"196354"	653.37876	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"637010"	957.58256	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1144889"	349.17496	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"185992"	327.193018	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"623363"	479.294918	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1126871"	175.091118	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1411855"	117.063170666667	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1443603"	351.216546	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"232202"	332.22604	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1523064"	365.26859	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"419952"	335.179988	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"784232"	487.281888	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1675095"	183.078088	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"262709"	672.423368	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1236514"	368.219568	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1725400"	368.243093	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1187470"	124.390484666667	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1661747"	373.198488	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"169700"	685.32664	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"607073"	989.53044	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1092678"	381.12284	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"150588"	343.166958	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"593430"	495.268858	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1075757"	191.065058	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1107873"	383.137392	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1344256"	383.225007	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1017163"	387.264176	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1530917"	388.257808	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"994083"	194.135726	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1588586"	389.172428	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1422993"	419.203938	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1153281"	214.649001	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1697607"	436.230485	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1645044"	441.18588	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1579601"	457.15982	"C14912"	"1245-Tetrahydrotestolactone;D-Homo-17a-oxa-5alpha-androstane-317-dione"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"803404"	334.2144	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M"	0
"985687"	315.19601	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"76849"	221.802324	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"518413"	333.207124	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"895147"	110.397524	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"10966"	333.207124	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"454900"	500.314324	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"830522"	166.099924	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"93308"	667.421524	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"530075"	1001.635924	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"906783"	333.207124	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"61886"	684.448071	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"499628"	1018.662471	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"874149"	350.233671	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"43142"	689.403466	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"479422"	1023.617866	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"859412"	355.189066	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1633893"	355.189066	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"108885"	351.195463	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"549660"	518.302663	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"941830"	184.088263	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"282785"	703.398202	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"673781"	1037.612602	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1287402"	369.183802	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"29599"	705.377406	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"470898"	1039.591806	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"848412"	371.163006	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1569717"	371.163006	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"957524"	379.212594	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"373633"	713.427001	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"357883"	727.442651	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1503801"	393.228251	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"968428"	401.194551	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"119522"	369.183802	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"561267"	536.291002	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1031159"	202.076602	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1250740"	413.133285	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1314281"	415.189272	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1331777"	437.171229	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"920647"	447.199986	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1296261"	483.176664	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1379165"	299.201724	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1393014"	317.2117	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"297934"	669.436076	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"691004"	1003.650476	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1366994"	335.221676	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"137287"	335.221676	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"579402"	502.328876	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1048926"	168.114476	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"218285"	223.816876	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"652375"	335.221676	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1177065"	112.412076	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"434873"	686.462623	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"790400"	1020.677023	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1685638"	352.248223	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"332822"	343.7349495	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"729617"	510.8421495	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1481251"	176.6277495	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"399932"	691.418018	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"760926"	1025.632418	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1607930"	357.203618	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"321249"	346.212647	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"716951"	513.319847	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1465304"	179.105447	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1065112"	119.73939	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1271894"	367.247886	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"391557"	707.391958	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"743074"	1041.606358	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1546221"	373.177558	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"311783"	354.199617	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"700193"	521.306817	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1455107"	187.092417	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"250761"	710.462626	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1225529"	376.248226	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1208941"	188.627751	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"203755"	713.39996	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"641129"	1047.61436	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1145727"	379.18556	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"187560"	357.203618	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"623473"	524.310818	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1125887"	190.096418	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1413058"	127.066704	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1444685"	381.227146	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"231948"	362.23664	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1524071"	395.27919	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"420792"	365.190588	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"784829"	532.297788	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1677391"	198.083388	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"263912"	732.444568	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1240268"	398.230168	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1728062"	398.253693	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1187580"	134.394018	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1665386"	403.209088	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"169810"	745.34784	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"608276"	1079.56224	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1089508"	411.13344	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"150698"	373.177558	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"594633"	540.284758	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1075867"	206.070358	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1111263"	413.147992	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1344366"	413.235607	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1018366"	417.274776	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1531027"	418.268408	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"994193"	209.141026	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1589060"	419.183028	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1423103"	449.214538	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1153391"	229.654301	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1697596"	466.241085	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1645154"	471.19648	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1579711"	487.17042	"C14913"	"17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"803515"	431.1913	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M"	0
"985797"	412.17291	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-H2O-H"	-19.01839
"76595"	286.453590666667	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M-3H"	-3.021828
"516885"	430.184024	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M-3H"	-3.021828
"894325"	142.723157333333	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-3H"	-3.021828
"7796"	430.184024	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M-2H"	-2.014552
"453552"	645.779674	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M-2H"	-2.014552
"829535"	214.588374	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-2H"	-2.014552
"85152"	861.375324	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M-H"	-1.007276
"532006"	1292.566624	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M-H"	-1.007276
"908716"	430.184024	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-H"	-1.007276
"60903"	878.401871	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M-2H+NH4"	16.019271
"496457"	1309.593171	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M-2H+NH4"	16.019271
"874259"	447.210571	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-2H+NH4"	16.019271
"43252"	883.357266	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M-2H+Na"	20.974666
"481718"	1314.548566	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M-2H+Na"	20.974666
"859522"	452.165966	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-2H+Na"	20.974666
"1633436"	452.165966	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Na-2H"	20.974666
"109520"	448.172363	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M-H+Cl"	33.962126
"546238"	663.768013	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M-H+Cl"	33.962126
"941212"	232.576713	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-H+Cl"	33.962126
"276123"	897.352002	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+Cl"	34.969402
"667450"	1328.543302	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+Cl"	34.969402
"1287511"	466.160702	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Cl"	34.969402
"30072"	899.331206	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M-2H+K"	36.948606
"468901"	1330.522506	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M-2H+K"	36.948606
"847555"	468.139906	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-2H+K"	36.948606
"1567275"	468.139906	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+K-2H"	36.948606
"957229"	476.189494	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-H+HCOOH"	44.998194
"373743"	907.380801	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+HCOOH-H"	44.998201
"358721"	921.396451	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+Hac-H"	59.013851
"1504275"	490.205151	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Hac-H"	59.013851
"969630"	498.171451	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-H+NaCOOH"	66.980151
"119631"	466.160702	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+2Cl"	69.938804
"560284"	681.756352	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+2Cl"	69.938804
"1032362"	250.565052	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2Cl"	69.938804
"1251943"	510.110185	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Br"	78.918885
"1313297"	512.166172	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Cl+HCOOH"	80.974872
"1330794"	534.148129	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Cl+NaCOOH"	102.956829
"920757"	544.176886	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M-H+CF3COOH"	112.985586
"1295278"	580.153564	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Cl+CF3COOH"	148.962264
"1379639"	396.178624	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H-2H2O"	-35.012676
"1393124"	414.1886	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H-H2O"	-17.0027
"298284"	863.389876	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+H"	1.007276
"691354"	1294.581176	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+H"	1.007276
"1367025"	432.198576	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H"	1.007276
"136668"	432.198576	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+2H"	2.014552
"579511"	647.794226	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+2H"	2.014552
"1049400"	216.602926	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2H"	2.014552
"217667"	288.468142666667	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+3H"	3.021828
"652485"	432.198576	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+3H"	3.021828
"1177175"	144.737709333333	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+3H"	3.021828
"434984"	880.416423	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+NH4"	18.033823
"792697"	1311.607723	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+NH4"	18.033823
"1687934"	449.225123	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+NH4"	18.033823
"334025"	440.7118495	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+H+NH4"	19.041099
"734100"	656.3074995	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+H+NH4"	19.041099
"1481361"	225.1161995	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H+NH4"	19.041099
"402229"	885.371818	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+Na"	22.989218
"758849"	1316.563118	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+Na"	22.989218
"1608040"	454.180518	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Na"	22.989218
"322453"	443.189547	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+H+Na"	23.996494
"713780"	658.785197	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+H+Na"	23.996494
"1466508"	227.593897	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H+Na"	23.996494
"1066193"	152.065023333333	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2H+Na"	25.00377
"1270180"	464.224786	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+CH3OH+H"	33.033486
"389845"	901.345758	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+K"	38.963158
"742091"	1332.537058	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+K"	38.963158
"1546331"	470.154458	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+K"	38.963158
"310070"	451.176517	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+H+K"	39.970434
"700303"	666.772167	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+H+K"	39.970434
"1455217"	235.580867	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H+K"	39.970434
"250385"	904.416426	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+ACN+H"	42.033826
"1224558"	473.225126	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+ACN+H"	42.033826
"1208079"	237.116201	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+ACN+2H"	43.041102
"202770"	907.35376	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+2Na-H"	44.97116
"640876"	1338.54506	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+2Na-H"	44.97116
"1144744"	476.16246	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2Na-H"	44.97116
"185118"	454.180518	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+2Na"	45.978436
"621397"	669.776168	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+2Na"	45.978436
"1125997"	238.584868	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2Na"	45.978436
"1413656"	159.392337333333	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H+2Na"	46.985712
"1444916"	478.204046	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H+HCOOH"	47.012746
"230965"	459.21354	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+3H2O+2H"	56.04448
"1522312"	492.25609	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+IsoProp+H"	61.06479
"419809"	462.167488	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+Na+K"	61.952376
"783358"	677.763138	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+Na+K"	61.952376
"1677137"	246.571838	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Na+K"	61.952376
"262563"	926.398368	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+ACN+Na"	64.015768
"1237823"	495.207068	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+ACN+Na"	64.015768
"1725618"	495.230593	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+NH4+HCOOH"	64.039293
"1187691"	166.719651333333	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+3Na"	68.967654
"1661966"	500.185988	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Na+HCOOH"	68.994688
"167733"	939.30164	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+2K-H"	76.91904
"605106"	1370.49294	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+2K-H"	76.91904
"1089618"	508.11034	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2K-H"	76.91904
"150808"	470.154458	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"2M+2K"	77.926316
"592556"	685.750108	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"3M+2K"	77.926316
"1077070"	254.558808	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2K"	77.926316
"1111373"	510.124892	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2K+H"	78.933592
"1344476"	510.212507	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+DMSO+H"	79.021207
"1018476"	514.251676	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2ACN+H"	83.060376
"1531137"	515.245308	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+IsoProp+Na+H"	84.054008
"993209"	257.629476	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+2ACN+2H"	84.067652
"1588806"	516.159928	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+K+HCOOH"	84.968628
"1423213"	546.191438	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+H+CF3COOH"	115.000138
"1153501"	278.142751	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+3ACN+2H"	125.094202
"1697335"	563.217985	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+NH4+CF3COOH"	132.026685
"1645264"	568.17338	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+Na+CF3COOH"	136.98208
"1579821"	584.14732	"C14914"	"3beta-Chloro-NN-bis(2-chloroethyl)-androst-5-en-17beta-amine"	"C23H36Cl3N"	"431.1913"	"M+K+CF3COOH"	152.95602
"803625"	338.261	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M"	0
"988338"	319.24261	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-H2O-H"	-19.01839
"75612"	224.500057333333	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M-3H"	-3.021828
"517360"	337.253724	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M-3H"	-3.021828
"894561"	111.746390666667	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-3H"	-3.021828
"11187"	337.253724	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M-2H"	-2.014552
"453908"	506.384224	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M-2H"	-2.014552
"826365"	168.123224	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-2H"	-2.014552
"86356"	675.514724	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M-H"	-1.007276
"531266"	1013.775724	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M-H"	-1.007276
"907975"	337.253724	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-H"	-1.007276
"59190"	692.541271	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M-2H+NH4"	16.019271
"495473"	1030.802271	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M-2H+NH4"	16.019271
"875462"	354.280271	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-2H+NH4"	16.019271
"42269"	697.496666	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M-2H+Na"	20.974666
"480735"	1035.757666	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M-2H+Na"	20.974666
"862912"	359.235666	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-2H+Na"	20.974666
"1632820"	359.235666	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Na-2H"	20.974666
"108740"	355.242063	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M-H+Cl"	33.962126
"546348"	524.372563	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M-H+Cl"	33.962126
"938770"	186.111563	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-H+Cl"	33.962126
"276233"	711.491402	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+Cl"	34.969402
"668654"	1049.752402	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+Cl"	34.969402
"1287256"	373.230402	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Cl"	34.969402
"28727"	713.470606	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M-2H+K"	36.948606
"470106"	1051.731606	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M-2H+K"	36.948606
"847179"	375.209606	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-2H+K"	36.948606
"1570301"	375.209606	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+K-2H"	36.948606
"954540"	383.259194	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-H+HCOOH"	44.998194
"370572"	721.520201	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+HCOOH-H"	44.998201
"357737"	735.535851	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+Hac-H"	59.013851
"1504384"	397.274851	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Hac-H"	59.013851
"963906"	405.241151	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-H+NaCOOH"	66.980151
"117554"	373.230402	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+2Cl"	69.938804
"560394"	542.360902	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+2Cl"	69.938804
"1032473"	204.099902	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2Cl"	69.938804
"1250955"	417.179885	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Br"	78.918885
"1312315"	419.235872	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Cl+HCOOH"	80.974872
"1333456"	441.217829	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Cl+NaCOOH"	102.956829
"918681"	451.246586	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M-H+CF3COOH"	112.985586
"1295387"	487.223264	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Cl+CF3COOH"	148.962264
"1379385"	303.248324	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H-2H2O"	-35.012676
"1392141"	321.2583	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H-H2O"	-17.0027
"298031"	677.529276	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+H"	1.007276
"691062"	1015.790276	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+H"	1.007276
"1366435"	339.268276	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H"	1.007276
"140060"	339.268276	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+2H"	2.014552
"579864"	508.398776	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+2H"	2.014552
"1050239"	170.137776	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2H"	2.014552
"218505"	226.514609333333	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+3H"	3.021828
"652595"	339.268276	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+3H"	3.021828
"1177283"	113.760942666667	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+3H"	3.021828
"437281"	694.555823	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+NH4"	18.033823
"792807"	1032.816823	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+NH4"	18.033823
"1685856"	356.294823	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+NH4"	18.033823
"333041"	347.7815495	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+H+NH4"	19.041099
"727650"	516.9120495	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+H+NH4"	19.041099
"1480378"	178.6510495	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H+NH4"	19.041099
"402339"	699.511218	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+Na"	22.989218
"758959"	1037.772218	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+Na"	22.989218
"1608151"	361.250218	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Na"	22.989218
"322564"	350.259247	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+H+Na"	23.996494
"712799"	519.389747	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+H+Na"	23.996494
"1469899"	181.128747	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H+Na"	23.996494
"1064238"	121.088256666667	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2H+Na"	25.00377
"1271141"	371.294486	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+CH3OH+H"	33.033486
"389955"	715.485158	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+K"	38.963158
"743295"	1053.746158	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+K"	38.963158
"1548628"	377.224158	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+K"	38.963158
"312978"	358.246217	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+H+K"	39.970434
"699320"	527.376717	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+H+K"	39.970434
"1457150"	189.115717	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H+K"	39.970434
"250375"	718.555826	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+ACN+H"	42.033826
"1222845"	380.294826	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+ACN+H"	42.033826
"1206368"	190.651051	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+ACN+2H"	43.041102
"202516"	721.49316	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+2Na-H"	44.97116
"640619"	1059.75416	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+2Na-H"	44.97116
"1143760"	383.23216	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2Na-H"	44.97116
"184501"	361.250218	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+2Na"	45.978436
"619322"	530.380718	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+2Na"	45.978436
"1123921"	192.119718	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2Na"	45.978436
"1411455"	128.415570666667	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H+2Na"	46.985712
"1443205"	385.273746	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H+HCOOH"	47.012746
"231075"	366.28324	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+3H2O+2H"	56.04448
"1519503"	399.32579	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+IsoProp+H"	61.06479
"417732"	369.237188	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+Na+K"	61.952376
"782738"	538.367688	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+Na+K"	61.952376
"1669954"	200.106688	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Na+K"	61.952376
"262673"	740.537768	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+ACN+Na"	64.015768
"1229184"	402.276768	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+ACN+Na"	64.015768
"1724634"	402.300293	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+NH4+HCOOH"	64.039293
"1189987"	135.742884666667	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+3Na"	68.967654
"1662076"	407.255688	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Na+HCOOH"	68.994688
"167843"	753.44104	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+2K-H"	76.91904
"608496"	1091.70204	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+2K-H"	76.91904
"1093008"	415.18004	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2K-H"	76.91904
"154198"	377.224158	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"2M+2K"	77.926316
"596192"	546.354658	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"3M+2K"	77.926316
"1079367"	208.093658	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2K"	77.926316
"1113428"	417.194592	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2K+H"	78.933592
"1347866"	417.282207	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+DMSO+H"	79.021207
"1018465"	421.321376	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2ACN+H"	83.060376
"1534527"	422.315008	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+IsoProp+Na+H"	84.054008
"997693"	211.164326	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+2ACN+2H"	84.067652
"1592197"	423.229628	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+K+HCOOH"	84.968628
"1423324"	453.261138	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+H+CF3COOH"	115.000138
"1156892"	231.677601	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+3ACN+2H"	125.094202
"1707537"	470.287685	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+NH4+CF3COOH"	132.026685
"1642093"	475.24308	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+Na+CF3COOH"	136.98208
"1579931"	491.21702	"C14915"	"3-(24-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol"	"C24H34O"	"338.261"	"M+K+CF3COOH"	152.95602
"816935"	204.0899	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M"	0
"988935"	185.07151	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-H2O-H"	-19.01839
"77906"	135.052657333333	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M-3H"	-3.021828
"514919"	203.082624	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M-3H"	-3.021828
"893813"	67.0226906666667	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-3H"	-3.021828
"11297"	203.082624	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M-2H"	-2.014552
"454751"	305.127574	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M-2H"	-2.014552
"829755"	101.037674	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-2H"	-2.014552
"89746"	407.172524	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M-H"	-1.007276
"531376"	611.262424	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M-H"	-1.007276
"907115"	203.082624	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-H"	-1.007276
"58937"	424.199071	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M-2H+NH4"	16.019271
"498500"	628.288971	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M-2H+NH4"	16.019271
"875573"	220.109171	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-2H+NH4"	16.019271
"39099"	429.154466	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M-2H+Na"	20.974666
"479752"	633.244366	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M-2H+Na"	20.974666
"858649"	225.064566	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-2H+Na"	20.974666
"1632928"	225.064566	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Na-2H"	20.974666
"107269"	221.070963	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M-H+Cl"	33.962126
"547553"	323.115913	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M-H+Cl"	33.962126
"937787"	119.026013	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-H+Cl"	33.962126
"275250"	443.149202	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+Cl"	34.969402
"670953"	647.239102	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+Cl"	34.969402
"1284450"	239.059302	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Cl"	34.969402
"27009"	445.128406	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M-2H+K"	36.948606
"466568"	649.218306	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M-2H+K"	36.948606
"846196"	241.038506	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-2H+K"	36.948606
"1566766"	241.038506	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+K-2H"	36.948606
"954288"	249.088094	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-H+HCOOH"	44.998194
"370682"	453.178001	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+HCOOH-H"	44.998201
"356752"	467.193651	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+Hac-H"	59.013851
"1503401"	263.103751	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Hac-H"	59.013851
"970213"	271.070051	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-H+NaCOOH"	66.980151
"120214"	239.059302	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+2Cl"	69.938804
"556494"	341.104252	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+2Cl"	69.938804
"1030397"	137.014352	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2Cl"	69.938804
"1249243"	283.008785	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Br"	78.918885
"1309868"	285.064772	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Cl+HCOOH"	80.974872
"1329921"	307.046729	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Cl+NaCOOH"	102.956829
"917697"	317.075486	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M-H+CF3COOH"	112.985586
"1296591"	353.052164	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Cl+CF3COOH"	148.962264
"1379131"	169.077224	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H-2H2O"	-35.012676
"1390064"	187.0872	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H-H2O"	-17.0027
"297895"	409.187076	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+H"	1.007276
"685454"	613.276976	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+H"	1.007276
"1364720"	205.097176	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H"	1.007276
"139073"	205.097176	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+2H"	2.014552
"577541"	307.142126	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+2H"	2.014552
"1047432"	103.052226	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2H"	2.014552
"215332"	137.067209333333	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+3H"	3.021828
"652705"	205.097176	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+3H"	3.021828
"1176666"	69.0372426666667	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+3H"	3.021828
"431924"	426.213623	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+NH4"	18.033823
"789638"	630.303523	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+NH4"	18.033823
"1682078"	222.123723	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+NH4"	18.033823
"334246"	213.6104495	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+H+NH4"	19.041099
"728853"	315.6553995	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+H+NH4"	19.041099
"1478663"	111.5654995	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H+NH4"	19.041099
"396981"	431.169018	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+Na"	22.989218
"762350"	635.258918	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+Na"	22.989218
"1610448"	227.079118	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Na"	22.989218
"322673"	216.088147	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+H+Na"	23.996494
"716189"	318.133097	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+H+Na"	23.996494
"1475356"	114.043197	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H+Na"	23.996494
"1066532"	76.3645566666667	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2H+Na"	25.00377
"1272589"	237.123386	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+CH3OH+H"	33.033486
"388972"	447.142958	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+K"	38.963158
"743405"	651.232858	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+K"	38.963158
"1544361"	243.053058	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+K"	38.963158
"309196"	224.075117	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+H+K"	39.970434
"699430"	326.120067	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+H+K"	39.970434
"1454343"	122.030167	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H+K"	39.970434
"251095"	450.213626	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+ACN+H"	42.033826
"1220042"	246.123726	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+ACN+H"	42.033826
"1205385"	123.565501	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+ACN+2H"	43.041102
"200076"	453.15096	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+2Na-H"	44.97116
"640733"	657.24086	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+2Na-H"	44.97116
"1144240"	249.06106	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2Na-H"	44.97116
"186072"	227.079118	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+2Na"	45.978436
"618338"	329.124068	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+2Na"	45.978436
"1126218"	125.034168	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2Na"	45.978436
"1411932"	83.6918706666667	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H+2Na"	46.985712
"1442588"	251.102646	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H+HCOOH"	47.012746
"233008"	232.11214	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+3H2O+2H"	56.04448
"1520709"	265.15469	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+IsoProp+H"	61.06479
"417842"	235.066088	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+Na+K"	61.952376
"778838"	337.111038	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+Na+K"	61.952376
"1669699"	133.021138	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Na+K"	61.952376
"262418"	472.195568	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+ACN+Na"	64.015768
"1229294"	268.105668	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+ACN+Na"	64.015768
"1718175"	268.129193	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+NH4+HCOOH"	64.039293
"1189003"	91.0191846666667	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+3Na"	68.967654
"1661093"	273.084588	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Na+HCOOH"	68.994688
"165766"	485.09884	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+2K-H"	76.91904
"607514"	689.18874	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+2K-H"	76.91904
"1096400"	281.00894	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2K-H"	76.91904
"154307"	243.053058	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"2M+2K"	77.926316
"594962"	345.098008	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"3M+2K"	77.926316
"1078384"	141.008108	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2K"	77.926316
"1113296"	283.023492	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2K+H"	78.933592
"1347976"	283.111107	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+DMSO+H"	79.021207
"1015418"	287.150276	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2ACN+H"	83.060376
"1535730"	288.143908	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+IsoProp+Na+H"	84.054008
"1001083"	144.078776	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+2ACN+2H"	84.067652
"1598868"	289.058528	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+K+HCOOH"	84.968628
"1420154"	319.090038	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+H+CF3COOH"	115.000138
"1153722"	164.592051	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+3ACN+2H"	125.094202
"1704366"	336.116585	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+NH4+CF3COOH"	132.026685
"1645484"	341.07198	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+Na+CF3COOH"	136.98208
"1580041"	357.04592	"C14916"	"Nirvanol"	"C11H12N2O2"	"204.0899"	"M+K+CF3COOH"	152.95602
"810406"	357.1399	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M"	0
"987223"	338.12151	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-H2O-H"	-19.01839
"78530"	237.085990666667	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M-3H"	-3.021828
"517215"	356.132624	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M-3H"	-3.021828
"893922"	118.039357333333	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-3H"	-3.021828
"15621"	356.132624	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M-2H"	-2.014552
"454249"	534.702574	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M-2H"	-2.014552
"827681"	177.562674	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-2H"	-2.014552
"87670"	713.272524	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M-H"	-1.007276
"531244"	1070.412424	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M-H"	-1.007276
"908317"	356.132624	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-H"	-1.007276
"57225"	730.299071	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M-2H+NH4"	16.019271
"494598"	1087.438971	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M-2H+NH4"	16.019271
"870212"	373.159171	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-2H+NH4"	16.019271
"39209"	735.254466	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M-2H+Na"	20.974666
"479862"	1092.394366	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M-2H+Na"	20.974666
"855476"	378.114566	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-2H+Na"	20.974666
"1628292"	378.114566	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Na-2H"	20.974666
"107011"	374.120963	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M-H+Cl"	33.962126
"547663"	552.690913	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M-H+Cl"	33.962126
"936803"	195.551013	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-H+Cl"	33.962126
"276453"	749.249202	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+Cl"	34.969402
"673249"	1106.389102	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+Cl"	34.969402
"1283468"	392.109302	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Cl"	34.969402
"24932"	751.228406	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M-2H+K"	36.948606
"465584"	1108.368306	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M-2H+K"	36.948606
"845942"	394.088506	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-2H+K"	36.948606
"1567969"	394.088506	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+K-2H"	36.948606
"956221"	402.138094	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-H+HCOOH"	44.998194
"374072"	759.278001	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+HCOOH-H"	44.998201
"357591"	773.293651	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+Hac-H"	59.013851
"1504241"	416.153751	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Hac-H"	59.013851
"968865"	424.120051	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-H+NaCOOH"	66.980151
"117775"	392.109302	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+2Cl"	69.938804
"557334"	570.679252	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+2Cl"	69.938804
"1030508"	213.539352	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2Cl"	69.938804
"1250812"	436.058785	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Br"	78.918885
"1311437"	438.114772	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Cl+HCOOH"	80.974872
"1330760"	460.096729	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Cl+NaCOOH"	102.956829
"916715"	470.125486	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M-H+CF3COOH"	112.985586
"1294514"	506.102164	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Cl+CF3COOH"	148.962264
"1379605"	322.127224	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H-2H2O"	-35.012676
"1390174"	340.1372	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H-H2O"	-17.0027
"297518"	715.287076	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+H"	1.007276
"685564"	1072.426976	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+H"	1.007276
"1363007"	358.147176	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H"	1.007276
"141171"	358.147176	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+2H"	2.014552
"580931"	536.717126	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+2H"	2.014552
"1048635"	179.577226	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2H"	2.014552
"215077"	239.100542666667	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+3H"	3.021828
"652815"	358.147176	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+3H"	3.021828
"1177140"	120.053909333333	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+3H"	3.021828
"433127"	732.313623	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+NH4"	18.033823
"787193"	1089.453523	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+NH4"	18.033823
"1682795"	375.173723	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+NH4"	18.033823
"332896"	366.6604495	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+H+NH4"	19.041099
"727870"	545.2303995	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+H+NH4"	19.041099
"1483879"	188.0904995	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H+NH4"	19.041099
"400372"	737.269018	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+Na"	22.989218
"761368"	1094.408918	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+Na"	22.989218
"1610558"	380.129118	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Na"	22.989218
"321691"	369.138147	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+H+Na"	23.996494
"714111"	547.708097	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+H+Na"	23.996494
"1475588"	190.568197	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H+Na"	23.996494
"1067371"	127.381223333333	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2H+Na"	25.00377
"1271237"	390.173386	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+CH3OH+H"	33.033486
"389082"	753.242958	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+K"	38.963158
"742421"	1110.382858	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+K"	38.963158
"1544836"	396.103058	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+K"	38.963158
"306026"	377.125117	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+H+K"	39.970434
"697353"	555.695067	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+H+K"	39.970434
"1457005"	198.555167	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H+K"	39.970434
"251207"	756.313626	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+ACN+H"	42.033826
"1222339"	399.173726	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+ACN+H"	42.033826
"1206221"	200.090501	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+ACN+2H"	43.041102
"200184"	759.25096	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+2Na-H"	44.97116
"640475"	1116.39086	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+2Na-H"	44.97116
"1142888"	402.11106	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2Na-H"	44.97116
"185449"	380.129118	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+2Na"	45.978436
"618447"	558.699068	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+2Na"	45.978436
"1125234"	201.559168	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2Na"	45.978436
"1411310"	134.708537333333	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H+2Na"	46.985712
"1442332"	404.152646	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H+HCOOH"	47.012746
"233118"	385.16214	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+3H2O+2H"	56.04448
"1521180"	418.20469	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+IsoProp+H"	61.06479
"420866"	388.116088	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+Na+K"	61.952376
"781864"	566.686038	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+Na+K"	61.952376
"1669081"	209.546138	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Na+K"	61.952376
"262164"	778.295568	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+ACN+Na"	64.015768
"1231591"	421.155668	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+ACN+Na"	64.015768
"1717192"	421.179193	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+NH4+HCOOH"	64.039293
"1186927"	142.035851333333	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+3Na"	68.967654
"1661203"	426.134588	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Na+HCOOH"	68.994688
"164783"	791.19884	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+2K-H"	76.91904
"609811"	1148.33874	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+2K-H"	76.91904
"1097603"	434.05894	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2K-H"	76.91904
"154417"	396.103058	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"2M+2K"	77.926316
"595072"	574.673008	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"3M+2K"	77.926316
"1081774"	217.533108	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2K"	77.926316
"1114500"	436.073492	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2K+H"	78.933592
"1348086"	436.161107	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+DMSO+H"	79.021207
"1017714"	440.200276	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2ACN+H"	83.060376
"1535840"	441.193908	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+IsoProp+Na+H"	84.054008
"1001193"	220.603776	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+2ACN+2H"	84.067652
"1598978"	442.108528	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+K+HCOOH"	84.968628
"1420264"	472.140038	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+H+CF3COOH"	115.000138
"1153832"	241.117051	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+3ACN+2H"	125.094202
"1707756"	489.166585	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+NH4+CF3COOH"	132.026685
"1645594"	494.12198	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+Na+CF3COOH"	136.98208
"1580151"	510.09592	"C14917"	"9-Thiocyanato-androst-4-ene-31117-trione"	"C20H23NO3S"	"357.1399"	"M+K+CF3COOH"	152.95602
"810516"	420.13	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M"	0
"989159"	401.11161	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-H2O-H"	-19.01839
"77401"	279.079390666667	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M-3H"	-3.021828
"516233"	419.122724	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M-3H"	-3.021828
"894764"	139.036057333333	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-3H"	-3.021828
"14067"	419.122724	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M-2H"	-2.014552
"454725"	629.187724	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M-2H"	-2.014552
"829613"	209.057724	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-2H"	-2.014552
"89967"	839.252724	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M-H"	-1.007276
"530624"	1259.382724	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M-H"	-1.007276
"907333"	419.122724	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-H"	-1.007276
"58428"	856.279271	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M-2H+NH4"	16.019271
"495801"	1276.409271	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M-2H+NH4"	16.019271
"871415"	436.149271	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-2H+NH4"	16.019271
"35303"	861.234666	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M-2H+Na"	20.974666
"479972"	1281.364666	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M-2H+Na"	20.974666
"852304"	441.104666	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-2H+Na"	20.974666
"1629495"	441.104666	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Na-2H"	20.974666
"107120"	437.111063	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M-H+Cl"	33.962126
"547409"	647.176063	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M-H+Cl"	33.962126
"938735"	227.046063	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-H+Cl"	33.962126
"277656"	875.229402	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+Cl"	34.969402
"672631"	1295.359402	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+Cl"	34.969402
"1284670"	455.099402	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Cl"	34.969402
"25042"	877.208606	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M-2H+K"	36.948606
"463508"	1297.338606	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M-2H+K"	36.948606
"846780"	457.078606	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-2H+K"	36.948606
"1566986"	457.078606	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+K-2H"	36.948606
"954873"	465.128194	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-H+HCOOH"	44.998194
"370902"	885.258201	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+HCOOH-H"	44.998201
"355878"	899.273851	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+Hac-H"	59.013851
"1504348"	479.143851	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Hac-H"	59.013851
"968975"	487.110151	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-H+NaCOOH"	66.980151
"120796"	455.099402	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+2Cl"	69.938804
"555256"	665.164402	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+2Cl"	69.938804
"1029524"	245.034402	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2Cl"	69.938804
"1249100"	499.048885	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Br"	78.918885
"1311548"	501.104872	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Cl+HCOOH"	80.974872
"1327953"	523.086829	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Cl+NaCOOH"	102.956829
"915365"	533.115586	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M-H+CF3COOH"	112.985586
"1294624"	569.092264	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Cl+CF3COOH"	148.962264
"1378256"	385.117324	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H-2H2O"	-35.012676
"1389191"	403.1273	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H-H2O"	-17.0027
"292888"	841.267276	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+H"	1.007276
"685673"	1261.397276	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+H"	1.007276
"1358738"	421.137276	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H"	1.007276
"138926"	421.137276	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+2H"	2.014552
"577392"	631.202276	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+2H"	2.014552
"1048744"	211.072276	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2H"	2.014552
"214458"	281.093942666667	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+3H"	3.021828
"652924"	421.137276	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+3H"	3.021828
"1176156"	141.050609333333	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+3H"	3.021828
"431051"	858.293823	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+NH4"	18.033823
"785759"	1278.423823	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+NH4"	18.033823
"1682540"	438.163823	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+NH4"	18.033823
"331184"	429.6505495	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+H+NH4"	19.041099
"729076"	639.7155495	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+H+NH4"	19.041099
"1483990"	219.5855495	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H+NH4"	19.041099
"401575"	863.249218	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+Na"	22.989218
"762572"	1283.379218	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+Na"	22.989218
"1610668"	443.119218	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Na"	22.989218
"321802"	432.128247	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+H+Na"	23.996494
"714221"	642.193247	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+H+Na"	23.996494
"1474604"	222.063247	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H+Na"	23.996494
"1066388"	148.377923333333	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2H+Na"	25.00377
"1264056"	453.163486	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+CH3OH+H"	33.033486
"389192"	879.223158	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+K"	38.963158
"742531"	1299.353158	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+K"	38.963158
"1543125"	459.093158	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+K"	38.963158
"308688"	440.115217	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+H+K"	39.970434
"700743"	650.180217	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+H+K"	39.970434
"1457843"	230.050217	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H+K"	39.970434
"249364"	882.293826	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+ACN+H"	42.033826
"1220992"	462.163826	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+ACN+H"	42.033826
"1205238"	231.585551	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+ACN+2H"	43.041102
"200295"	885.23116	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+2Na-H"	44.97116
"640952"	1305.36116	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+2Na-H"	44.97116
"1143729"	465.10116	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2Na-H"	44.97116
"185559"	443.119218	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+2Na"	45.978436
"620744"	653.184218	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+2Na"	45.978436
"1126438"	233.054218	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2Na"	45.978436
"1411421"	155.705237333333	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H+2Na"	46.985712
"1442078"	467.142746	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H+HCOOH"	47.012746
"234690"	448.15224	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+3H2O+2H"	56.04448
"1520927"	481.19479	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+IsoProp+H"	61.06479
"419516"	451.106188	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+Na+K"	61.952376
"781610"	661.171188	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+Na+K"	61.952376
"1671378"	241.041188	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Na+K"	61.952376
"261545"	904.275768	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+ACN+Na"	64.015768
"1231701"	484.145768	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+ACN+Na"	64.015768
"1719488"	484.169293	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+NH4+HCOOH"	64.039293
"1188130"	163.032551333333	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+3Na"	68.967654
"1660219"	489.124688	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Na+HCOOH"	68.994688
"167080"	917.17904	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+2K-H"	76.91904
"612233"	1337.30904	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+2K-H"	76.91904
"1097714"	497.04904	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2K-H"	76.91904
"156593"	459.093158	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"2M+2K"	77.926316
"596401"	669.158158	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"3M+2K"	77.926316
"1082978"	249.028158	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2K"	77.926316
"1115545"	499.063592	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2K+H"	78.933592
"1348196"	499.151207	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+DMSO+H"	79.021207
"1018917"	503.190376	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2ACN+H"	83.060376
"1534857"	504.184008	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+IsoProp+Na+H"	84.054008
"1001303"	252.098826	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+2ACN+2H"	84.067652
"1589245"	505.098628	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+K+HCOOH"	84.968628
"1422560"	535.130138	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+H+CF3COOH"	115.000138
"1153942"	272.612101	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+3ACN+2H"	125.094202
"1707866"	552.156685	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+NH4+CF3COOH"	132.026685
"1642423"	557.11208	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+Na+CF3COOH"	136.98208
"1580261"	573.08602	"C14918"	"9-Bromo-16alpha-methyl-pregn-4-ene-31120-trione"	"C22H29BrO3"	"420.13"	"M+K+CF3COOH"	152.95602
"810626"	348.2664	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M"	0
"988539"	329.24801	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-H2O-H"	-19.01839
"77511"	231.170324	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M-3H"	-3.021828
"517436"	347.259124	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M-3H"	-3.021828
"894145"	115.081524	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-3H"	-3.021828
"13813"	347.259124	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M-2H"	-2.014552
"454797"	521.392324	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M-2H"	-2.014552
"829359"	173.125924	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-2H"	-2.014552
"93236"	695.525524	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M-H"	-1.007276
"529641"	1043.791924	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M-H"	-1.007276
"906350"	347.259124	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-H"	-1.007276
"59634"	712.552071	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M-2H+NH4"	16.019271
"493726"	1060.818471	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M-2H+NH4"	16.019271
"871525"	364.285671	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-2H+NH4"	16.019271
"39425"	717.507466	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M-2H+Na"	20.974666
"472425"	1065.773866	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M-2H+Na"	20.974666
"849857"	369.241066	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-2H+Na"	20.974666
"1623043"	369.241066	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Na-2H"	20.974666
"106137"	365.247463	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M-H+Cl"	33.962126
"545695"	539.380663	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M-H+Cl"	33.962126
"937022"	191.114263	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-H+Cl"	33.962126
"274485"	731.502202	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+Cl"	34.969402
"674077"	1079.768602	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+Cl"	34.969402
"1286603"	383.235802	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Cl"	34.969402
"24057"	733.481406	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M-2H+K"	36.948606
"463618"	1081.747806	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M-2H+K"	36.948606
"844701"	385.215006	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-2H+K"	36.948606
"1568189"	385.215006	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+K-2H"	36.948606
"956076"	393.264594	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-H+HCOOH"	44.998194
"374292"	741.531001	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+HCOOH-H"	44.998201
"357082"	755.546651	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+Hac-H"	59.013851
"1505188"	407.280251	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Hac-H"	59.013851
"969084"	415.246551	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-H+NaCOOH"	66.980151
"122730"	383.235802	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+2Cl"	69.938804
"557554"	557.369002	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+2Cl"	69.938804
"1030726"	209.102602	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2Cl"	69.938804
"1253219"	427.185285	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Br"	78.918885
"1314937"	429.241272	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Cl+HCOOH"	80.974872
"1323689"	451.223229	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Cl+NaCOOH"	102.956829
"915841"	461.251986	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M-H+CF3COOH"	112.985586
"1294734"	497.228664	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Cl+CF3COOH"	148.962264
"1371804"	313.253724	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H-2H2O"	-35.012676
"1392581"	331.2637	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H-H2O"	-17.0027
"294092"	697.540076	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+H"	1.007276
"684688"	1045.806476	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+H"	1.007276
"1358848"	349.273676	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H"	1.007276
"135755"	349.273676	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+2H"	2.014552
"574221"	523.406876	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+2H"	2.014552
"1043385"	175.140476	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2H"	2.014552
"214204"	233.184876	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+3H"	3.021828
"650848"	349.273676	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+3H"	3.021828
"1175174"	117.096076	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+3H"	3.021828
"437358"	714.566623	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+NH4"	18.033823
"787414"	1062.833023	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+NH4"	18.033823
"1686664"	366.300223	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+NH4"	18.033823
"334578"	357.7869495	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+H+NH4"	19.041099
"730280"	531.9201495	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+H+NH4"	19.041099
"1485193"	183.6537495	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H+NH4"	19.041099
"401685"	719.522018	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+Na"	22.989218
"762683"	1067.788418	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+Na"	22.989218
"1611871"	371.255618	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Na"	22.989218
"326285"	360.264647	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+H+Na"	23.996494
"717975"	534.397847	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+H+Na"	23.996494
"1476740"	186.131447	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H+Na"	23.996494
"1066134"	124.42339	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2H+Na"	25.00377
"1265259"	381.299886	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+CH3OH+H"	33.033486
"386752"	735.495958	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+K"	38.963158
"741548"	1083.762358	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+K"	38.963158
"1545787"	387.229558	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+K"	38.963158
"308798"	368.251617	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+H+K"	39.970434
"702312"	542.384817	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+H+K"	39.970434
"1456861"	194.118417	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H+K"	39.970434
"249353"	738.566626	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+ACN+H"	42.033826
"1221464"	390.300226	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+ACN+H"	42.033826
"1207534"	195.653751	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+ACN+2H"	43.041102
"199310"	741.50396	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+2Na-H"	44.97116
"641788"	1089.77036	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+2Na-H"	44.97116
"1143108"	393.23756	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2Na-H"	44.97116
"184577"	371.255618	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+2Na"	45.978436
"622676"	545.388818	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+2Na"	45.978436
"1128008"	197.122418	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2Na"	45.978436
"1410436"	131.750704	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H+2Na"	46.985712
"1442551"	395.279146	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H+HCOOH"	47.012746
"233339"	376.28864	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+3H2O+2H"	56.04448
"1517390"	409.33119	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+IsoProp+H"	61.06479
"414157"	379.242588	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+Na+K"	61.952376
"784272"	553.375788	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+Na+K"	61.952376
"1674768"	205.109388	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Na+K"	61.952376
"255822"	760.548568	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+ACN+Na"	64.015768
"1230718"	412.282168	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+ACN+Na"	64.015768
"1716684"	412.305693	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+NH4+HCOOH"	64.039293
"1182768"	139.078018	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+3Na"	68.967654
"1663610"	417.261088	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Na+HCOOH"	68.994688
"168283"	773.45184	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+2K-H"	76.91904
"612544"	1121.71824	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+2K-H"	76.91904
"1099609"	425.18544	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2K-H"	76.91904
"156460"	387.229558	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"2M+2K"	77.926316
"596632"	561.362758	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"3M+2K"	77.926316
"1083087"	213.096358	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2K"	77.926316
"1115286"	427.199992	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2K+H"	78.933592
"1349400"	427.287607	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+DMSO+H"	79.021207
"1019027"	431.326776	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2ACN+H"	83.060376
"1532779"	432.320408	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+IsoProp+Na+H"	84.054008
"1001413"	216.167026	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+2ACN+2H"	84.067652
"1592636"	433.235028	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+K+HCOOH"	84.968628
"1422670"	463.266538	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+H+CF3COOH"	115.000138
"1157332"	236.680301	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+3ACN+2H"	125.094202
"1709070"	480.293085	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+NH4+CF3COOH"	132.026685
"1642533"	485.24848	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+Na+CF3COOH"	136.98208
"1580371"	501.22242	"C14919"	"17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one"	"C22H36O3"	"348.2664"	"M+K+CF3COOH"	152.95602
"810736"	253.0739	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M"	0
"988285"	234.05551	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-H2O-H"	-19.01839
"76892"	167.708657333333	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M-3H"	-3.021828
"516816"	252.066624	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M-3H"	-3.021828
"893890"	83.3506906666667	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-3H"	-3.021828
"12828"	252.066624	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M-2H"	-2.014552
"453485"	378.603574	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M-2H"	-2.014552
"823634"	125.529674	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-2H"	-2.014552
"89094"	505.140524	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M-H"	-1.007276
"522096"	758.214424	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M-H"	-1.007276
"903178"	252.066624	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-H"	-1.007276
"54270"	522.167071	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M-2H+NH4"	16.019271
"493831"	775.240971	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M-2H+NH4"	16.019271
"868355"	269.093171	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-2H+NH4"	16.019271
"32242"	527.122466	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M-2H+Na"	20.974666
"473625"	780.196366	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M-2H+Na"	20.974666
"848681"	274.048566	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-2H+Na"	20.974666
"1620962"	274.048566	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Na-2H"	20.974666
"96401"	270.054963	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M-H+Cl"	33.962126
"540334"	396.591913	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M-H+Cl"	33.962126
"932754"	143.518013	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-H+Cl"	33.962126
"274595"	541.117202	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+Cl"	34.969402
"670297"	794.191102	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+Cl"	34.969402
"1283799"	288.043302	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Cl"	34.969402
"25258"	543.096406	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M-2H+K"	36.948606
"464821"	796.170306	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M-2H+K"	36.948606
"843716"	290.022506	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-2H+K"	36.948606
"1567206"	290.022506	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+K-2H"	36.948606
"947436"	298.072094	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-H+HCOOH"	44.998194
"365653"	551.146001	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+HCOOH-H"	44.998201
"353911"	565.161651	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+Hac-H"	59.013851
"1501650"	312.087751	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Hac-H"	59.013851
"968097"	320.054051	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-H+NaCOOH"	66.980151
"121379"	288.043302	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+2Cl"	69.938804
"560940"	414.580252	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+2Cl"	69.938804
"1031564"	161.506352	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2Cl"	69.938804
"1252236"	331.992785	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Br"	78.918885
"1317599"	334.048772	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Cl+HCOOH"	80.974872
"1323797"	356.030729	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Cl+NaCOOH"	102.956829
"920322"	366.059486	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M-H+CF3COOH"	112.985586
"1294844"	402.036164	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Cl+CF3COOH"	148.962264
"1373008"	218.061224	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H-2H2O"	-35.012676
"1392691"	236.0712	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H-H2O"	-17.0027
"294931"	507.155076	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+H"	1.007276
"684798"	760.228976	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+H"	1.007276
"1358958"	254.081176	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H"	1.007276
"136594"	254.081176	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+2H"	2.014552
"574331"	380.618126	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+2H"	2.014552
"1046775"	127.544226	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2H"	2.014552
"213221"	169.723209333333	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+3H"	3.021828
"650958"	254.081176	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+3H"	3.021828
"1174555"	85.3652426666667	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+3H"	3.021828
"438200"	524.181623	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+NH4"	18.033823
"790076"	777.255523	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+NH4"	18.033823
"1687504"	271.107723	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+NH4"	18.033823
"334324"	262.5944495	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+H+NH4"	19.041099
"730390"	389.1313995	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+H+NH4"	19.041099
"1485303"	136.0574995	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H+NH4"	19.041099
"401795"	529.137018	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+Na"	22.989218
"762793"	782.210918	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+Na"	22.989218
"1611981"	276.063118	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Na"	22.989218
"325301"	265.072147	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+H+Na"	23.996494
"716263"	391.609097	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+H+Na"	23.996494
"1471544"	138.535197	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H+Na"	23.996494
"1064787"	92.6925566666667	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2H+Na"	25.00377
"1265369"	286.107386	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+CH3OH+H"	33.033486
"385037"	545.110958	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+K"	38.963158
"741655"	798.184858	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+K"	38.963158
"1542617"	292.037058	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+K"	38.963158
"304169"	273.059117	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+H+K"	39.970434
"698776"	399.596067	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+H+K"	39.970434
"1457335"	146.522167	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H+K"	39.970434
"246667"	548.181626	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+ACN+H"	42.033826
"1216107"	295.107726	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+ACN+H"	42.033826
"1201084"	148.057501	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+ACN+2H"	43.041102
"195047"	551.11896	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+2Na-H"	44.97116
"636794"	804.19286	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+2Na-H"	44.97116
"1139207"	298.04506	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2Na-H"	44.97116
"183957"	276.063118	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+2Na"	45.978436
"619871"	402.600068	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+2Na"	45.978436
"1120097"	149.526168	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2Na"	45.978436
"1407994"	100.019870666667	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H+2Na"	46.985712
"1441567"	300.086646	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H+HCOOH"	47.012746
"231990"	281.09614	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+3H2O+2H"	56.04448
"1515677"	314.13869	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+IsoProp+H"	61.06479
"410987"	284.050088	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+Na+K"	61.952376
"781100"	410.587038	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+Na+K"	61.952376
"1671598"	157.513138	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Na+K"	61.952376
"259212"	570.163568	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+ACN+Na"	64.015768
"1230828"	317.089668	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+ACN+Na"	64.015768
"1714244"	317.113193	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+NH4+HCOOH"	64.039293
"1180693"	107.347184666667	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+3Na"	68.967654
"1660440"	322.068588	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Na+HCOOH"	68.994688
"166207"	583.06684	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+2K-H"	76.91904
"611963"	836.14074	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+2K-H"	76.91904
"1097933"	329.99294	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2K-H"	76.91904
"155720"	292.037058	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"2M+2K"	77.926316
"595403"	418.574008	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"3M+2K"	77.926316
"1079919"	165.500108	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2K"	77.926316
"1114221"	332.007492	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2K+H"	78.933592
"1349510"	332.095107	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+DMSO+H"	79.021207
"1015858"	336.134276	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2ACN+H"	83.060376
"1532888"	337.127908	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+IsoProp+Na+H"	84.054008
"999337"	168.570776	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+2ACN+2H"	84.067652
"1591652"	338.042528	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+K+HCOOH"	84.968628
"1417313"	368.074038	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+H+CF3COOH"	115.000138
"1157442"	189.084051	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+3ACN+2H"	125.094202
"1701525"	385.100585	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+NH4+CF3COOH"	132.026685
"1639363"	390.05598	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+Na+CF3COOH"	136.98208
"1580481"	406.02992	"C14920"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)acetamide"	"C15H11NO3"	"253.0739"	"M+K+CF3COOH"	152.95602
"810846"	267.1259	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M"	0
"989205"	248.10751	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-H2O-H"	-19.01839
"78177"	177.076657333333	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M-3H"	-3.021828
"516565"	266.118624	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M-3H"	-3.021828
"894366"	88.0346906666667	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-3H"	-3.021828
"14762"	266.118624	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M-2H"	-2.014552
"454932"	399.681574	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M-2H"	-2.014552
"824841"	132.555674	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-2H"	-2.014552
"88112"	533.244524	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M-H"	-1.007276
"520019"	800.370424	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M-H"	-1.007276
"904381"	266.118624	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-H"	-1.007276
"56567"	550.271071	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M-2H+NH4"	16.019271
"495033"	817.396971	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M-2H+NH4"	16.019271
"868465"	283.145171	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-2H+NH4"	16.019271
"34174"	555.226466	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M-2H+Na"	20.974666
"473246"	822.352366	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M-2H+Na"	20.974666
"849715"	288.100566	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-2H+Na"	20.974666
"1620343"	288.100566	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Na-2H"	20.974666
"94759"	284.106963	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M-H+Cl"	33.962126
"540444"	417.669913	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M-H+Cl"	33.962126
"932864"	150.544013	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-H+Cl"	33.962126
"279080"	569.221202	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+Cl"	34.969402
"670407"	836.347102	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+Cl"	34.969402
"1285367"	302.095302	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Cl"	34.969402
"25368"	571.200406	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M-2H+K"	36.948606
"466024"	838.326306	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M-2H+K"	36.948606
"845648"	304.074506	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-2H+K"	36.948606
"1566951"	304.074506	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+K-2H"	36.948606
"948639"	312.124094	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-H+HCOOH"	44.998194
"365762"	579.250001	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+HCOOH-H"	44.998201
"354021"	593.265651	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+Hac-H"	59.013851
"1502853"	326.139751	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Hac-H"	59.013851
"968206"	334.106051	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-H+NaCOOH"	66.980151
"119303"	302.095302	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+2Cl"	69.938804
"562142"	435.658252	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+2Cl"	69.938804
"1033860"	168.532352	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+2Cl"	69.938804
"1253075"	346.044785	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Br"	78.918885
"1316980"	348.100772	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Cl+HCOOH"	80.974872
"1324636"	370.082729	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Cl+NaCOOH"	102.956829
"921525"	380.111486	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M-H+CF3COOH"	112.985586
"1292768"	416.088164	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Cl+CF3COOH"	148.962264
"1372025"	232.113224	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+H-2H2O"	-35.012676
"1392801"	250.1232	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+H-H2O"	-17.0027
"294674"	535.259076	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+H"	1.007276
"686001"	802.384976	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+H"	1.007276
"1359068"	268.133176	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+H"	1.007276
"136339"	268.133176	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+2H"	2.014552
"571525"	401.696126	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+2H"	2.014552
"1046885"	134.570226	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+2H"	2.014552
"213695"	179.091209333333	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+3H"	3.021828
"651068"	268.133176	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+3H"	3.021828
"1176488"	90.0492426666667	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+3H"	3.021828
"439282"	552.285623	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+NH4"	18.033823
"791280"	819.411523	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+NH4"	18.033823
"1688706"	285.159723	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+NH4"	18.033823
"336985"	276.6464495	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+H+NH4"	19.041099
"730500"	410.2093995	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+H+NH4"	19.041099
"1483226"	143.0834995	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+H+NH4"	19.041099
"400813"	557.241018	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+Na"	22.989218
"763997"	824.366918	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+Na"	22.989218
"1609907"	290.115118	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+Na"	22.989218
"323224"	279.124147	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+H+Na"	23.996494
"715643"	412.687097	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+H+Na"	23.996494
"1471654"	145.561197	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+H+Na"	23.996494
"1063439"	97.3765566666667	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+2H+Na"	25.00377
"1265479"	300.159386	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+CH3OH+H"	33.033486
"381867"	573.214958	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+K"	38.963158
"742129"	840.340858	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+K"	38.963158
"1542727"	306.089058	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+K"	38.963158
"304279"	287.111117	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+H+K"	39.970434
"702897"	420.674067	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"3M+H+K"	39.970434
"1459269"	153.548167	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+H+K"	39.970434
"248965"	576.285626	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"2M+ACN+H"	42.033826
"1214029"	309.159726	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+ACN+H"	42.033826
"1200102"	155.083501	"C14921"	"3-Oxo-N-phenyl-N-(phenylmethyl)butanamide"	"C17H17NO2"	"267.1259"	"M+ACN+2H"	43.041102
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"702278"	626.288367	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"3M+H+K"	39.970434
"1459379"	222.086267	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+H+K"	39.970434
"249075"	850.438026	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+ACN+H"	42.033826
"1213048"	446.235926	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+ACN+H"	42.033826
"1200212"	223.621601	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+ACN+2H"	43.041102
"190895"	853.37536	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+2Na-H"	44.97116
"638110"	1257.57746	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"3M+2Na-H"	44.97116
"1140887"	449.17326	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+2Na-H"	44.97116
"184540"	427.191318	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+2Na"	45.978436
"618997"	629.292368	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"3M+2Na"	45.978436
"1117157"	225.090268	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+2Na"	45.978436
"1406028"	150.395937333333	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+H+2Na"	46.985712
"1442517"	451.214846	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+H+HCOOH"	47.012746
"233303"	432.22434	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+3H2O+2H"	56.04448
"1520270"	465.26689	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+IsoProp+H"	61.06479
"419955"	435.178288	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+Na+K"	61.952376
"774396"	637.279338	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"3M+Na+K"	61.952376
"1667445"	233.077238	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+Na+K"	61.952376
"252872"	872.419968	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+ACN+Na"	64.015768
"1228861"	468.217868	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+ACN+Na"	64.015768
"1716652"	468.241393	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+NH4+HCOOH"	64.039293
"1184194"	157.723251333333	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+3Na"	68.967654
"1662846"	473.196788	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+Na+HCOOH"	68.994688
"168612"	885.32324	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+2K-H"	76.91904
"611820"	1289.52534	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"3M+2K-H"	76.91904
"1098151"	481.12114	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+2K-H"	76.91904
"156550"	443.165258	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"2M+2K"	77.926316
"595988"	645.266308	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"3M+2K"	77.926316
"1080868"	241.064208	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+2K"	77.926316
"1113346"	483.135692	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+2K+H"	78.933592
"1345355"	483.223307	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+DMSO+H"	79.021207
"1017900"	487.262476	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+2ACN+H"	83.060376
"1536755"	488.256108	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+IsoProp+Na+H"	84.054008
"1001745"	244.134876	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+2ACN+2H"	84.067652
"1596247"	489.170728	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+K+HCOOH"	84.968628
"1423000"	519.202238	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+H+CF3COOH"	115.000138
"1154381"	264.648151	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+3ACN+2H"	125.094202
"1705025"	536.228785	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+NH4+CF3COOH"	132.026685
"1639583"	541.18418	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+Na+CF3COOH"	136.98208
"1580701"	557.15812	"C14922"	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-320-dione 7-acetate"	"C23H32O4S"	"404.2021"	"M+K+CF3COOH"	152.95602
"811066"	378.1962	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M"	0
"986789"	359.17781	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-H2O-H"	-19.01839
"76123"	251.123524	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M-3H"	-3.021828
"518204"	377.188924	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M-3H"	-3.021828
"895327"	125.058124	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-3H"	-3.021828
"13897"	377.188924	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M-2H"	-2.014552
"453702"	566.287024	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M-2H"	-2.014552
"823967"	188.090824	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-2H"	-2.014552
"90519"	755.385124	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M-H"	-1.007276
"527894"	1133.581324	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M-H"	-1.007276
"906790"	377.188924	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-H"	-1.007276
"61161"	772.411671	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M-2H+NH4"	16.019271
"501450"	1150.607871	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M-2H+NH4"	16.019271
"870871"	394.215471	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-2H+NH4"	16.019271
"35490"	777.367066	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M-2H+Na"	20.974666
"477238"	1155.563266	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M-2H+Na"	20.974666
"852853"	399.170866	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-2H+Na"	20.974666
"1623480"	399.170866	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Na-2H"	20.974666
"101101"	395.177263	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M-H+Cl"	33.962126
"543945"	584.275363	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M-H+Cl"	33.962126
"935271"	206.079163	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-H+Cl"	33.962126
"278204"	791.361802	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+Cl"	34.969402
"673907"	1169.558002	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+Cl"	34.969402
"1283402"	413.165602	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Cl"	34.969402
"28145"	793.341006	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M-2H+K"	36.948606
"466248"	1171.537206	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M-2H+K"	36.948606
"846601"	415.144806	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-2H+K"	36.948606
"1570372"	415.144806	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+K-2H"	36.948606
"952141"	423.194394	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-H+HCOOH"	44.998194
"371086"	801.390601	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+HCOOH-H"	44.998201
"354970"	815.406251	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+Hac-H"	59.013851
"1504167"	437.210051	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Hac-H"	59.013851
"969159"	445.176351	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-H+NaCOOH"	66.980151
"118430"	413.165602	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+2Cl"	69.938804
"557992"	602.263702	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+2Cl"	69.938804
"1031164"	224.067502	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2Cl"	69.938804
"1251836"	457.115085	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Br"	78.918885
"1317198"	459.171072	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Cl+HCOOH"	80.974872
"1329590"	481.153029	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Cl+NaCOOH"	102.956829
"921744"	491.181786	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M-H+CF3COOH"	112.985586
"1296266"	527.158464	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Cl+CF3COOH"	148.962264
"1374433"	343.183524	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H-2H2O"	-35.012676
"1393750"	361.1935	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H-H2O"	-17.0027
"292706"	757.399676	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+H"	1.007276
"682940"	1135.595876	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+H"	1.007276
"1357100"	379.203476	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H"	1.007276
"138749"	379.203476	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+2H"	2.014552
"578307"	568.301576	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+2H"	2.014552
"1047105"	190.105376	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2H"	2.014552
"216829"	253.138076	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+3H"	3.021828
"655662"	379.203476	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+3H"	3.021828
"1175249"	127.072676	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+3H"	3.021828
"437798"	774.426223	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+NH4"	18.033823
"788587"	1152.622423	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+NH4"	18.033823
"1684916"	396.230023	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+NH4"	18.033823
"333925"	387.7167495	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+H+NH4"	19.041099
"729629"	576.8148495	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+H+NH4"	19.041099
"1484541"	198.6186495	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H+NH4"	19.041099
"402128"	779.381618	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+Na"	22.989218
"764217"	1157.577818	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+Na"	22.989218
"1612312"	401.185418	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Na"	22.989218
"322349"	390.194447	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+H+Na"	23.996494
"715863"	579.292547	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+H+Na"	23.996494
"1471874"	201.096347	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H+Na"	23.996494
"1065116"	134.39999	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2H+Na"	25.00377
"1267889"	411.229686	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+CH3OH+H"	33.033486
"388651"	795.355558	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+K"	38.963158
"746364"	1173.551758	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+K"	38.963158
"1546230"	417.159358	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+K"	38.963158
"312153"	398.181417	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+H+K"	39.970434
"706278"	587.279517	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+H+K"	39.970434
"1461300"	209.083317	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H+K"	39.970434
"251331"	798.426226	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+ACN+H"	42.033826
"1215345"	420.230026	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+ACN+H"	42.033826
"1200322"	210.618651	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+ACN+2H"	43.041102
"192099"	801.36356	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+2Na-H"	44.97116
"637126"	1179.55976	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+2Na-H"	44.97116
"1141725"	423.16736	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2Na-H"	44.97116
"187568"	401.185418	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+2Na"	45.978436
"622387"	590.283518	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+2Na"	45.978436
"1120426"	212.087318	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2Na"	45.978436
"1403949"	141.727304	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H+2Na"	46.985712
"1439348"	425.208946	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H+HCOOH"	47.012746
"234515"	406.21844	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+3H2O+2H"	56.04448
"1522207"	439.26099	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+IsoProp+H"	61.06479
"422985"	409.172388	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+Na+K"	61.952376
"776692"	598.270488	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+Na+K"	61.952376
"1673024"	220.074288	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Na+K"	61.952376
"258452"	820.408168	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+ACN+Na"	64.015768
"1237721"	442.211968	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+ACN+Na"	64.015768
"1725513"	442.235493	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+NH4+HCOOH"	64.039293
"1185400"	149.054618	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+3Na"	68.967654
"1659675"	447.190888	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Na+HCOOH"	68.994688
"172251"	833.31144	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+2K-H"	76.91904
"612172"	1211.50764	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+2K-H"	76.91904
"1099363"	455.11524	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2K-H"	76.91904
"156661"	417.159358	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"2M+2K"	77.926316
"595861"	606.257458	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"3M+2K"	77.926316
"1082679"	228.061258	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2K"	77.926316
"1114308"	457.129792	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2K+H"	78.933592
"1350207"	457.217407	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+DMSO+H"	79.021207
"1017279"	461.256576	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2ACN+H"	83.060376
"1534311"	462.250208	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+IsoProp+Na+H"	84.054008
"1001853"	231.131926	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+2ACN+2H"	84.067652
"1599638"	463.164828	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+K+HCOOH"	84.968628
"1424206"	493.196338	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+H+CF3COOH"	115.000138
"1157774"	251.645201	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+3ACN+2H"	125.094202
"1708418"	510.222885	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+NH4+CF3COOH"	132.026685
"1646254"	515.17828	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+Na+CF3COOH"	136.98208
"1580811"	531.15222	"C14923"	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-320-dione"	"C22H31ClO3"	"378.1962"	"M+K+CF3COOH"	152.95602
"802792"	412.225	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M"	0
"985804"	393.20661	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-H2O-H"	-19.01839
"72953"	273.809390666667	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M-3H"	-3.021828
"518394"	411.217724	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M-3H"	-3.021828
"895554"	136.401057333333	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-3H"	-3.021828
"15535"	411.217724	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M-2H"	-2.014552
"455467"	617.330224	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M-2H"	-2.014552
"828452"	205.105224	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-2H"	-2.014552
"92452"	823.442724	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M-H"	-1.007276
"530191"	1235.667724	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M-H"	-1.007276
"907267"	411.217724	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-H"	-1.007276
"57995"	840.469271	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M-2H+NH4"	16.019271
"500833"	1252.694271	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M-2H+NH4"	16.019271
"874261"	428.244271	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-2H+NH4"	16.019271
"41067"	845.424666	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M-2H+Na"	20.974666
"475523"	1257.649666	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M-2H+Na"	20.974666
"850776"	433.199666	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-2H+Na"	20.974666
"1620309"	433.199666	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Na-2H"	20.974666
"95742"	429.206063	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M-H+Cl"	33.962126
"540774"	635.318563	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M-H+Cl"	33.962126
"935381"	223.093563	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-H+Cl"	33.962126
"278314"	859.419402	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+Cl"	34.969402
"672197"	1271.644402	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+Cl"	34.969402
"1285698"	447.194402	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Cl"	34.969402
"28252"	861.398606	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M-2H+K"	36.948606
"470366"	1273.623606	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M-2H+K"	36.948606
"846953"	449.173606	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-2H+K"	36.948606
"1569349"	449.173606	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+K-2H"	36.948606
"951158"	457.223194	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-H+HCOOH"	44.998194
"367189"	869.448201	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+HCOOH-H"	44.998201
"356537"	883.463851	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+Hac-H"	59.013851
"1503181"	471.238851	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Hac-H"	59.013851
"969628"	479.205151	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-H+NaCOOH"	66.980151
"121820"	447.194402	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+2Cl"	69.938804
"559196"	653.306902	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+2Cl"	69.938804
"1033097"	241.081902	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2Cl"	69.938804
"1254498"	491.143885	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Br"	78.918885
"1318037"	493.199872	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Cl+HCOOH"	80.974872
"1331886"	515.181829	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Cl+NaCOOH"	102.956829
"926227"	525.210586	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M-H+CF3COOH"	112.985586
"1297469"	561.187264	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Cl+CF3COOH"	148.962264
"1377824"	377.212324	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H-2H2O"	-35.012676
"1392037"	395.2223	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H-H2O"	-17.0027
"295368"	825.457276	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+H"	1.007276
"685966"	1237.682276	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+H"	1.007276
"1359398"	413.232276	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H"	1.007276
"140681"	413.232276	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+2H"	2.014552
"577323"	619.344776	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+2H"	2.014552
"1050863"	207.119776	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2H"	2.014552
"218398"	275.823942666667	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+3H"	3.021828
"658327"	413.232276	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+3H"	3.021828
"1174994"	138.415609333333	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+3H"	3.021828
"437180"	842.483823	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+NH4"	18.033823
"788332"	1254.708823	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+NH4"	18.033823
"1683568"	430.258823	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+NH4"	18.033823
"332211"	421.7455495	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+H+NH4"	19.041099
"729739"	627.8580495	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+H+NH4"	19.041099
"1485744"	215.6330495	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H+NH4"	19.041099
"402239"	847.439218	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+Na"	22.989218
"764328"	1259.664218	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+Na"	22.989218
"1612424"	435.214218	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Na"	22.989218
"325742"	424.223247	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+H+Na"	23.996494
"719257"	630.335747	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+H+Na"	23.996494
"1470891"	218.110747	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H+Na"	23.996494
"1063042"	145.742923333333	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2H+Na"	25.00377
"1269092"	445.258486	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+CH3OH+H"	33.033486
"391677"	863.413158	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+K"	38.963158
"751941"	1275.638158	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+K"	38.963158
"1551807"	451.188158	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+K"	38.963158
"313929"	432.210217	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+H+K"	39.970434
"706924"	638.322717	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+H+K"	39.970434
"1461164"	226.097717	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H+K"	39.970434
"251208"	866.483826	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+ACN+H"	42.033826
"1224802"	454.258826	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+ACN+H"	42.033826
"1199339"	227.633051	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+ACN+2H"	43.041102
"199864"	869.42116	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+2Na-H"	44.97116
"641980"	1281.64616	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+2Na-H"	44.97116
"1145846"	457.19616	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2Na-H"	44.97116
"188170"	435.214218	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+2Na"	45.978436
"627970"	641.326718	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+2Na"	45.978436
"1131220"	229.101718	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2Na"	45.978436
"1409530"	153.070237333333	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H+2Na"	46.985712
"1442740"	459.237746	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H+HCOOH"	47.012746
"233529"	440.24724	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+3H2O+2H"	56.04448
"1523412"	473.28979	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+IsoProp+H"	61.06479
"423094"	443.201188	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+Na+K"	61.952376
"785104"	649.313688	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+Na+K"	61.952376
"1674229"	237.088688	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Na+K"	61.952376
"262937"	888.465768	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+ACN+Na"	64.015768
"1236739"	476.240768	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+ACN+Na"	64.015768
"1722343"	476.264293	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+NH4+HCOOH"	64.039293
"1185510"	160.397551333333	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+3Na"	68.967654
"1664163"	481.219688	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Na+HCOOH"	68.994688
"171025"	901.36904	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+2K-H"	76.91904
"611438"	1313.59404	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+2K-H"	76.91904
"1098622"	489.14404	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2K-H"	76.91904
"156410"	451.188158	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"2M+2K"	77.926316
"596333"	657.300658	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"3M+2K"	77.926316
"1083155"	245.075658	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2K"	77.926316
"1113208"	491.158592	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2K+H"	78.933592
"1348623"	491.246207	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+DMSO+H"	79.021207
"1019338"	495.285376	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2ACN+H"	83.060376
"1536609"	496.279008	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+IsoProp+Na+H"	84.054008
"1004515"	248.146326	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+2ACN+2H"	84.067652
"1597564"	497.193628	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+K+HCOOH"	84.968628
"1425409"	527.225138	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+H+CF3COOH"	115.000138
"1158978"	268.659601	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+3ACN+2H"	125.094202
"1709622"	544.251685	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+NH4+CF3COOH"	132.026685
"1648551"	549.20708	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+Na+CF3COOH"	136.98208
"1580921"	565.18102	"C14924"	"3beta21-Dihydroxy-pregna-579(11)-trien-20-one diacetate"	"C25H32O5"	"412.225"	"M+K+CF3COOH"	152.95602
"801606"	300.2089	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M"	0
"983727"	281.19051	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"74156"	199.131990666667	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"516272"	299.201624	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"895488"	99.0623573333333	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"15449"	299.201624	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"450753"	449.306074	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"829656"	149.097174	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"91470"	599.410524	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"529939"	899.619424	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"907739"	299.201624	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"60292"	616.437071	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"499849"	916.645971	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"869996"	316.228171	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"38989"	621.392466	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"475270"	921.601366	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"853072"	321.183566	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1621512"	321.183566	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"98040"	317.189963	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"540884"	467.294413	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"934398"	167.085513	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"278424"	635.387202	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"672670"	935.596102	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1285808"	335.178302	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"29454"	637.366406	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"469749"	937.575306	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"846092"	337.157506	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1568850"	337.157506	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"947988"	345.207094	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"367298"	645.416001	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"356283"	659.431651	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1503291"	359.222751	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"966458"	367.189051	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"121934"	335.178302	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"562223"	485.282752	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1032841"	185.073852	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1255703"	379.127785	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1318147"	381.183772	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1329810"	403.165729	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"924150"	413.194486	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1296486"	449.171164	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1380851"	265.196224	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1397009"	283.2062	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"294749"	601.425076	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"684253"	901.633976	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1359508"	301.216176	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"141130"	301.216176	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"580593"	451.320626	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1051704"	151.111726	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"219239"	201.146542666667	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"658073"	301.216176	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1176197"	101.076909333333	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"439358"	618.451623	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"789171"	918.660523	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1684408"	318.242723	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"333053"	309.7294495	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"736410"	459.8338995	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1489136"	159.6249995	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"403441"	623.407018	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"764438"	923.615918	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1616543"	323.198118	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"328404"	312.207147	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"722285"	462.311597	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1474282"	162.102697	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1068341"	108.404223333333	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1272122"	333.242386	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"391788"	639.380958	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"753032"	939.589858	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1550824"	339.172058	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"313106"	320.194117	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"706936"	470.298567	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1460687"	170.089667	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"250016"	642.451626	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1223938"	342.242726	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1207469"	171.625001	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"203383"	645.38896	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"643429"	945.59786	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1145355"	345.18006	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"188513"	323.198118	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"628507"	473.302568	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1131318"	173.093668	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1412923"	115.731537333333	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1445040"	347.221646	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"235637"	328.23114	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1523161"	361.27369	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"422840"	331.185088	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"783838"	481.289538	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1679079"	181.080638	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"263047"	664.433568	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1234660"	364.224668	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1725733"	364.248193	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1185620"	123.058851333333	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1663914"	369.203588	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"172638"	677.33684	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"612035"	977.54574	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1099626"	377.12794	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"156400"	339.172058	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"595233"	489.276508	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1082782"	189.067608	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1114045"	379.142492	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1349704"	379.230107	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1018599"	383.269276	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1538422"	384.262908	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"1004264"	192.138276	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1598769"	385.177528	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1426613"	415.209038	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1159088"	212.651551	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1710825"	432.235585	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1648661"	437.19098	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1581031"	453.16492	"C14925"	"17beta-Hydroxy-2-methylandrost-14-dien-3-one"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"811396"	369.2304	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M"	0
"983839"	350.21201	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-H2O-H"	-19.01839
"72080"	245.146324	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M-3H"	-3.021828
"514559"	368.223124	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M-3H"	-3.021828
"895283"	122.069524	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-3H"	-3.021828
"14469"	368.223124	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M-2H"	-2.014552
"454632"	552.838324	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M-2H"	-2.014552
"827579"	183.607924	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-2H"	-2.014552
"89394"	737.453524	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M-H"	-1.007276
"526038"	1106.683924	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M-H"	-1.007276
"903839"	368.223124	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-H"	-1.007276
"56757"	754.480071	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M-2H+NH4"	16.019271
"496681"	1123.710471	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M-2H+NH4"	16.019271
"874481"	385.249671	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-2H+NH4"	16.019271
"38006"	759.435466	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M-2H+Na"	20.974666
"472100"	1128.665866	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M-2H+Na"	20.974666
"850996"	390.205066	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-2H+Na"	20.974666
"1621622"	390.205066	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Na-2H"	20.974666
"97057"	386.211463	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M-H+Cl"	33.962126
"535280"	570.826663	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M-H+Cl"	33.962126
"931228"	201.596263	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-H+Cl"	33.962126
"277441"	773.430202	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+Cl"	34.969402
"670957"	1142.660602	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+Cl"	34.969402
"1285189"	404.199802	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Cl"	34.969402
"27014"	775.409406	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M-2H+K"	36.948606
"465482"	1144.639806	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M-2H+K"	36.948606
"843284"	406.179006	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-2H+K"	36.948606
"1565676"	406.179006	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+K-2H"	36.948606
"948099"	414.228594	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-H+HCOOH"	44.998194
"366315"	783.459001	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+HCOOH-H"	44.998201
"356758"	797.474651	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+Hac-H"	59.013851
"1501215"	428.244251	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Hac-H"	59.013851
"968394"	436.210551	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-H+NaCOOH"	66.980151
"123138"	404.199802	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+2Cl"	69.938804
"561970"	588.815002	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+2Cl"	69.938804
"1032951"	219.584602	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2Cl"	69.938804
"1253990"	448.149285	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Br"	78.918885
"1314617"	450.205272	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Cl+HCOOH"	80.974872
"1333567"	472.187229	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Cl+NaCOOH"	102.956829
"922438"	482.215986	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M-H+CF3COOH"	112.985586
"1296596"	518.192664	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Cl+CF3COOH"	148.962264
"1369651"	334.217724	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H-2H2O"	-35.012676
"1395540"	352.2277	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H-H2O"	-17.0027
"295952"	739.468076	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+H"	1.007276
"684363"	1108.698476	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+H"	1.007276
"1359618"	370.237676	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H"	1.007276
"138715"	370.237676	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+2H"	2.014552
"579367"	554.852876	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+2H"	2.014552
"1048531"	185.622476	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2H"	2.014552
"214246"	247.160876	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+3H"	3.021828
"659562"	370.237676	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+3H"	3.021828
"1177038"	124.084076	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+3H"	3.021828
"438493"	756.494623	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+NH4"	18.033823
"787094"	1125.725023	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+NH4"	18.033823
"1683061"	387.264223	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+NH4"	18.033823
"333160"	378.7509495	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+H+NH4"	19.041099
"734332"	563.3661495	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+H+NH4"	19.041099
"1485964"	194.1357495	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H+NH4"	19.041099
"402456"	761.450018	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+Na"	22.989218
"767825"	1130.680418	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+Na"	22.989218
"1615924"	392.219618	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Na"	22.989218
"324870"	381.228647	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+H+Na"	23.996494
"720573"	565.843847	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+H+Na"	23.996494
"1473298"	196.613447	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H+Na"	23.996494
"1065452"	131.41139	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2H+Na"	25.00377
"1270896"	402.263886	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+CH3OH+H"	33.033486
"390444"	777.423958	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+K"	38.963158
"753622"	1146.654358	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+K"	38.963158
"1551663"	408.193558	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+K"	38.963158
"313579"	389.215617	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+H+K"	39.970434
"705635"	573.830817	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+H+K"	39.970434
"1459095"	204.600417	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H+K"	39.970434
"249882"	780.494626	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+ACN+H"	42.033826
"1222226"	411.264226	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+ACN+H"	42.033826
"1207579"	206.135751	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+ACN+2H"	43.041102
"201909"	783.43196	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+2Na-H"	44.97116
"642445"	1152.66236	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+2Na-H"	44.97116
"1145222"	414.20156	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2Na-H"	44.97116
"186445"	392.219618	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+2Na"	45.978436
"627585"	576.834818	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+2Na"	45.978436
"1131134"	207.604418	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2Na"	45.978436
"1412669"	138.738704	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H+2Na"	46.985712
"1444786"	416.243146	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H+HCOOH"	47.012746
"234848"	397.25264	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+3H2O+2H"	56.04448
"1523273"	430.29519	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+IsoProp+H"	61.06479
"423318"	400.206588	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+Na+K"	61.952376
"782855"	584.821788	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+Na+K"	61.952376
"1680283"	215.591388	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Na+K"	61.952376
"265955"	802.476568	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+ACN+Na"	64.015768
"1235866"	433.246168	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+ACN+Na"	64.015768
"1724386"	433.269693	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+NH4+HCOOH"	64.039293
"1191198"	146.066018	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+3Na"	68.967654
"1664019"	438.225088	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Na+HCOOH"	68.994688
"170885"	815.37984	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+2K-H"	76.91904
"610810"	1184.61024	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+2K-H"	76.91904
"1098597"	446.14944	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2K-H"	76.91904
"155780"	408.193558	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"2M+2K"	77.926316
"593884"	592.808758	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"3M+2K"	77.926316
"1081676"	223.578358	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2K"	77.926316
"1113062"	448.163992	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2K+H"	78.933592
"1349445"	448.251607	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+DMSO+H"	79.021207
"1017610"	452.290776	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2ACN+H"	83.060376
"1537442"	453.284408	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+IsoProp+Na+H"	84.054008
"1003281"	226.649026	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+2ACN+2H"	84.067652
"1598877"	454.199028	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+K+HCOOH"	84.968628
"1425632"	484.230538	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+H+CF3COOH"	115.000138
"1158106"	247.162301	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+3ACN+2H"	125.094202
"1709843"	501.257085	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+NH4+CF3COOH"	132.026685
"1647680"	506.21248	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+Na+CF3COOH"	136.98208
"1581141"	522.18642	"C14926"	"3-Hydroxy-2-(4-morpholinylmethyl)estra-135(10)-trien-17-one;2-Morpholinomethylestrone"	"C23H31NO3"	"369.2304"	"M+K+CF3COOH"	152.95602
"811506"	289.0409	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M"	0
"985042"	270.02251	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H2O-H"	-19.01839
"67815"	191.686657333333	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-3H"	-3.021828
"513940"	288.033624	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-3H"	-3.021828
"894986"	95.3396906666667	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-3H"	-3.021828
"15192"	288.033624	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H"	-2.014552
"454254"	432.554074	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H"	-2.014552
"829150"	143.513174	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H"	-2.014552
"86590"	577.074524	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-H"	-1.007276
"528337"	866.115424	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-H"	-1.007276
"905046"	288.033624	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H"	-1.007276
"59055"	594.101071	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H+NH4"	16.019271
"499345"	883.141971	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H+NH4"	16.019271
"876414"	305.060171	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H+NH4"	16.019271
"40304"	599.056466	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H+Na"	20.974666
"474394"	888.097366	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H+Na"	20.974666
"853293"	310.015566	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H+Na"	20.974666
"1627201"	310.015566	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na-2H"	20.974666
"95102"	306.021963	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-H+Cl"	33.962126
"534498"	450.542413	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-H+Cl"	33.962126
"931338"	161.501513	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+Cl"	33.962126
"278644"	613.051202	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Cl"	34.969402
"669973"	902.092102	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+Cl"	34.969402
"1285297"	324.010302	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl"	34.969402
"28218"	615.030406	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H+K"	36.948606
"466686"	904.071306	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H+K"	36.948606
"845581"	325.989506	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H+K"	36.948606
"1567975"	325.989506	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K-2H"	36.948606
"954773"	334.039094	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+HCOOH"	44.998194
"372988"	623.080001	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+HCOOH-H"	44.998201
"359058"	637.095651	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Hac-H"	59.013851
"1504245"	348.054751	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Hac-H"	59.013851
"972760"	356.021051	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+NaCOOH"	66.980151
"122885"	324.010302	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2Cl"	69.938804
"563537"	468.530752	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2Cl"	69.938804
"1032696"	179.489852	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2Cl"	69.938804
"1253376"	367.959785	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Br"	78.918885
"1315822"	370.015772	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl+HCOOH"	80.974872
"1332948"	391.997729	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl+NaCOOH"	102.956829
"922548"	402.026486	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+CF3COOH"	112.985586
"1296707"	438.003164	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl+CF3COOH"	148.962264
"1370491"	254.028224	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H-2H2O"	-35.012676
"1397353"	272.0382	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H-H2O"	-17.0027
"297522"	579.089076	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H"	1.007276
"691082"	868.129976	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H"	1.007276
"1362281"	290.048176	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H"	1.007276
"140278"	290.048176	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2H"	2.014552
"580692"	434.568626	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2H"	2.014552
"1052458"	145.527726	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2H"	2.014552
"219466"	193.701209333333	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+3H"	3.021828
"659022"	290.048176	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+3H"	3.021828
"1177717"	97.3542426666667	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+3H"	3.021828
"439210"	596.115623	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+NH4"	18.033823
"790856"	885.156523	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+NH4"	18.033823
"1688277"	307.074723	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+NH4"	18.033823
"334367"	298.5614495	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H+NH4"	19.041099
"727882"	443.0818995	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H+NH4"	19.041099
"1487168"	154.0409995	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+NH4"	19.041099
"404754"	601.071018	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Na"	22.989218
"766844"	890.111918	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+Na"	22.989218
"1613849"	312.030118	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na"	22.989218
"322791"	301.039147	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H+Na"	23.996494
"717400"	445.559597	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H+Na"	23.996494
"1473410"	156.518697	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+Na"	23.996494
"1066657"	104.681556666667	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2H+Na"	25.00377
"1270885"	322.074386	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+CH3OH+H"	33.033486
"391280"	617.044958	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+K"	38.963158
"753330"	906.085858	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+K"	38.963158
"1554326"	328.004058	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K"	38.963158
"311504"	309.026117	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H+K"	39.970434
"703926"	453.546567	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H+K"	39.970434
"1460301"	164.505667	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+K"	39.970434
"250239"	620.115626	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+ACN+H"	42.033826
"1223919"	331.074726	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+ACN+H"	42.033826
"1207690"	166.041001	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+ACN+2H"	43.041102
"202993"	623.05296	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2Na-H"	44.97116
"643650"	912.09386	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2Na-H"	44.97116
"1146512"	334.01206	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2Na-H"	44.97116
"187527"	312.030118	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2Na"	45.978436
"627939"	456.550568	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2Na"	45.978436
"1130958"	167.509668	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2Na"	45.978436
"1413955"	112.008870666667	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+2Na"	46.985712
"1445264"	336.053646	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+HCOOH"	47.012746
"235206"	317.06314	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+3H2O+2H"	56.04448
"1524093"	350.10569	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+IsoProp+H"	61.06479
"422334"	320.017088	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Na+K"	61.952376
"781142"	464.537538	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+Na+K"	61.952376
"1678567"	175.496638	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na+K"	61.952376
"266673"	642.097568	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+ACN+Na"	64.015768
"1240839"	353.056668	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+ACN+Na"	64.015768
"1724496"	353.080193	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+NH4+HCOOH"	64.039293
"1192037"	119.336184666667	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+3Na"	68.967654
"1662313"	358.035588	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na+HCOOH"	68.994688
"169539"	655.00084	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2K-H"	76.91904
"610922"	944.04174	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2K-H"	76.91904
"1096526"	365.95994	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2K-H"	76.91904
"153708"	328.004058	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2K"	77.926316
"593269"	472.524508	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2K"	77.926316
"1079968"	183.483608	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2K"	77.926316
"1112085"	367.974492	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2K+H"	78.933592
"1347007"	368.062107	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+DMSO+H"	79.021207
"1016268"	372.101276	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2ACN+H"	83.060376
"1536583"	373.094908	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+IsoProp+Na+H"	84.054008
"1003759"	186.554276	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2ACN+2H"	84.067652
"1600813"	374.009528	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K+HCOOH"	84.968628
"1423554"	404.041038	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+CF3COOH"	115.000138
"1159310"	207.067551	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+3ACN+2H"	125.094202
"1711777"	421.067585	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+NH4+CF3COOH"	132.026685
"1649248"	426.02298	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na+CF3COOH"	136.98208
"1581251"	441.99692	"C14927"	"N-(6-Oxo-6H-dibenzobdpyran-2-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K+CF3COOH"	152.95602
"811616"	440.3403	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M"	0
"986246"	421.32191	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-H2O-H"	-19.01839
"71205"	292.552924	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M-3H"	-3.021828
"511861"	439.333024	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M-3H"	-3.021828
"890757"	145.772824	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-3H"	-3.021828
"15582"	439.333024	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M-2H"	-2.014552
"454729"	659.503174	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M-2H"	-2.014552
"831813"	219.162874	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-2H"	-2.014552
"91073"	879.673324	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M-H"	-1.007276
"532094"	1320.013624	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M-H"	-1.007276
"910259"	439.333024	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-H"	-1.007276
"60260"	896.699871	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M-2H+NH4"	16.019271
"499820"	1337.040171	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M-2H+NH4"	16.019271
"876524"	456.359571	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-2H+NH4"	16.019271
"43694"	901.655266	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M-2H+Na"	20.974666
"473411"	1341.995566	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M-2H+Na"	20.974666
"856683"	461.314966	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-2H+Na"	20.974666
"1627311"	461.314966	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Na-2H"	20.974666
"95212"	457.321363	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M-H+Cl"	33.962126
"534846"	677.491513	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M-H+Cl"	33.962126
"928289"	237.151213	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-H+Cl"	33.962126
"277661"	915.650002	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+Cl"	34.969402
"670083"	1355.990302	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+Cl"	34.969402
"1284675"	475.309702	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Cl"	34.969402
"29422"	917.629206	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M-2H+K"	36.948606
"465702"	1357.969506	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M-2H+K"	36.948606
"845691"	477.288906	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-2H+K"	36.948606
"1566991"	477.288906	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+K-2H"	36.948606
"956706"	485.338494	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-H+HCOOH"	44.998194
"376015"	925.678801	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+HCOOH-H"	44.998201
"360140"	939.694451	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+Hac-H"	59.013851
"1504719"	499.354151	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Hac-H"	59.013851
"972261"	507.320451	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-H+NaCOOH"	66.980151
"124330"	475.309702	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+2Cl"	69.938804
"563645"	695.479852	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+2Cl"	69.938804
"1033901"	255.139552	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2Cl"	69.938804
"1254944"	519.259185	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Br"	78.918885
"1318119"	521.315172	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Cl+HCOOH"	80.974872
"1333059"	543.297129	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Cl+NaCOOH"	102.956829
"921200"	553.325886	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M-H+CF3COOH"	112.985586
"1299002"	589.302564	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Cl+CF3COOH"	148.962264
"1372060"	405.327624	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H-2H2O"	-35.012676
"1398221"	423.3376	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H-H2O"	-17.0027
"296539"	881.687876	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+H"	1.007276
"690054"	1322.028176	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+H"	1.007276
"1361662"	441.347576	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H"	1.007276
"140388"	441.347576	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+2H"	2.014552
"579952"	661.517726	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+2H"	2.014552
"1052607"	221.177426	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2H"	2.014552
"218483"	294.567476	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+3H"	3.021828
"657309"	441.347576	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+3H"	3.021828
"1176166"	147.787376	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+3H"	3.021828
"438711"	898.714423	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+NH4"	18.033823
"788051"	1339.054723	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+NH4"	18.033823
"1685108"	458.374123	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+NH4"	18.033823
"334478"	449.8608495	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+H+NH4"	19.041099
"724344"	670.0309995	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+H+NH4"	19.041099
"1485092"	229.6906995	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H+NH4"	19.041099
"401586"	903.669818	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+Na"	22.989218
"763674"	1344.010118	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+Na"	22.989218
"1613961"	463.329518	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Na"	22.989218
"327276"	452.338547	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+H+Na"	23.996494
"719698"	672.508697	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+H+Na"	23.996494
"1473522"	232.168397	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H+Na"	23.996494
"1066401"	155.11469	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2H+Na"	25.00377
"1271361"	473.373786	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+CH3OH+H"	33.033486
"392123"	919.643758	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+K"	38.963158
"753479"	1359.984058	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+K"	38.963158
"1551154"	479.303458	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+K"	38.963158
"312345"	460.325517	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+H+K"	39.970434
"705494"	680.495667	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+H+K"	39.970434
"1460045"	240.155367	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H+K"	39.970434
"249011"	922.714426	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+ACN+H"	42.033826
"1222815"	482.374126	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+ACN+H"	42.033826
"1209343"	241.690701	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+ACN+2H"	43.041102
"203997"	925.65176	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+2Na-H"	44.97116
"643761"	1365.99206	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+2Na-H"	44.97116
"1146537"	485.31146	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2Na-H"	44.97116
"187761"	463.329518	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+2Na"	45.978436
"628173"	683.499668	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+2Na"	45.978436
"1131034"	243.159368	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2Na"	45.978436
"1413332"	162.442004	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H+2Na"	46.985712
"1445374"	487.353046	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H+HCOOH"	47.012746
"235610"	468.36254	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+3H2O+2H"	56.04448
"1524068"	501.40509	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+IsoProp+H"	61.06479
"423661"	471.316488	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+Na+K"	61.952376
"784291"	691.486638	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+Na+K"	61.952376
"1680382"	251.146338	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Na+K"	61.952376
"266786"	944.696368	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+ACN+Na"	64.015768
"1240788"	504.356068	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+ACN+Na"	64.015768
"1727646"	504.379593	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+NH4+HCOOH"	64.039293
"1192512"	169.769318	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+3Na"	68.967654
"1664736"	509.334988	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Na+HCOOH"	68.994688
"170378"	957.59964	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+2K-H"	76.91904
"609938"	1397.93994	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+2K-H"	76.91904
"1095908"	517.25934	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2K-H"	76.91904
"153454"	479.303458	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"2M+2K"	77.926316
"593014"	699.473608	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"3M+2K"	77.926316
"1080443"	259.133308	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2K"	77.926316
"1112193"	519.273892	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2K+H"	78.933592
"1349303"	519.361507	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+DMSO+H"	79.021207
"1018200"	523.400676	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2ACN+H"	83.060376
"1536691"	524.394308	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+IsoProp+Na+H"	84.054008
"1003141"	262.203976	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+2ACN+2H"	84.067652
"1601285"	525.308928	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+K+HCOOH"	84.968628
"1425851"	555.340438	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+H+CF3COOH"	115.000138
"1159420"	282.717251	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+3ACN+2H"	125.094202
"1709700"	572.366985	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+NH4+CF3COOH"	132.026685
"1648993"	577.32238	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+Na+CF3COOH"	136.98208
"1581361"	593.29632	"C14928"	"17-3-(1-Pyrrolidinyl)propyliminoandrost-5-en-3beta-ol acetate"	"C28H44N2O2"	"440.3403"	"M+K+CF3COOH"	152.95602
"811726"	318.2195	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M"	0
"985263"	299.20111	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"69128"	211.139057333333	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"513064"	317.212224	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"889774"	105.065890666667	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"15518"	317.212224	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"454718"	476.321974	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"832287"	158.102474	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"91913"	635.431724	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"532568"	953.651224	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"910733"	317.212224	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"61463"	652.458271	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"499563"	970.677771	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"873353"	334.238771	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"41618"	657.413666	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"480085"	975.633166	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"848810"	339.194166	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1619072"	339.194166	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"96294"	335.200563	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"534434"	494.310313	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"927341"	176.090813	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"277771"	671.408402	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"668006"	989.627902	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1285878"	353.188902	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"29536"	673.387606	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"470187"	991.607106	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"847260"	355.168106	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1566007"	355.168106	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"956087"	363.217694	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"376489"	681.437201	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"359886"	695.452851	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1505558"	377.233351	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"972371"	385.199651	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"125642"	353.188902	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"563390"	512.298652	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1034740"	194.079152	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1256880"	397.138385	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1318594"	399.194372	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1333534"	421.176329	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"920216"	431.205086	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1299112"	467.181764	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1371806"	283.206824	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1398021"	301.2168	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"297621"	637.446276	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"690164"	955.665776	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1361772"	319.226776	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"140013"	319.226776	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"580792"	478.336526	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1052624"	160.117026	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"219687"	213.153609333333	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"659760"	319.226776	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1177494"	107.080442666667	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"437725"	654.472823	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"788161"	972.692323	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1685583"	336.253323	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"333859"	327.7400495	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"727370"	486.8497995	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1488483"	168.6302995	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"403885"	659.428218	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"766702"	977.647718	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1615530"	341.208718	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"325201"	330.217747	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"720901"	489.327497	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1472537"	171.107997	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1067607"	114.407756666667	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1271836"	351.252986	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"392644"	675.402158	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"753590"	993.621658	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1552357"	357.182658	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"312453"	338.204717	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"705604"	497.314467	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1459791"	179.094967	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"249121"	678.472826	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1223290"	360.253326	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1209252"	180.630301	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"203906"	681.41016	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"643915"	999.62966	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1146921"	363.19066	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"188240"	341.208718	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"628511"	500.318468	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1131181"	182.098968	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1413726"	121.735070666667	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1445000"	365.232246	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"235385"	346.24174	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1523689"	379.28429	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"424181"	349.195688	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"785130"	508.305438	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1678422"	190.085938	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"266652"	700.454768	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1239234"	382.235268	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1726903"	382.258793	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1192622"	129.062384666667	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1664601"	387.214188	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"170491"	713.35804	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"612555"	1031.57754	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1099660"	395.13854	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"155022"	357.182658	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"594947"	516.292408	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1082375"	198.072908	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1113396"	397.153092	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1349776"	397.240707	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1018310"	401.279876	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1538989"	402.273508	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1003980"	201.143576	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1601761"	403.188128	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1428512"	433.219638	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1161960"	221.656851	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1712486"	450.246185	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1648740"	455.20158	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1581471"	471.17552	"C14929"	"17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"811836"	314.1882	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M"	0
"985737"	295.16981	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"68145"	208.451524	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"513174"	313.180924	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"886601"	103.722124	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"11739"	313.180924	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"451669"	470.275024	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"830936"	156.086824	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"91295"	627.369124	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"531948"	941.557324	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"909749"	313.180924	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"60844"	644.395671	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"501497"	958.583871	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"873099"	330.207471	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"39542"	649.351066	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"479102"	963.539266	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"848667"	335.162866	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1618809"	335.162866	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"94661"	331.169263	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"534332"	488.263363	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"927180"	174.075163	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"272416"	663.345802	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"665930"	977.534002	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1281616"	349.157602	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"30498"	665.325006	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"469933"	979.513206	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"848358"	351.136806	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1565024"	351.136806	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"958249"	359.186394	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"376852"	673.374601	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"361294"	687.390251	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1507005"	373.202051	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"971388"	381.168351	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"125409"	349.157602	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"563136"	506.251702	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1030838"	192.063502	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1254798"	393.107085	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1318704"	395.163072	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1334008"	417.145029	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"920326"	427.173786	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1299222"	463.150464	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1375196"	279.175524	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1389413"	297.1855	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"290192"	629.383676	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"683707"	943.571876	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1361882"	315.195476	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"141058"	315.195476	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"579440"	472.289576	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1052261"	158.101376	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"219067"	210.466076	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"659235"	315.195476	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1177846"	105.736676	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"437107"	646.410223	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"787905"	960.598423	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1683140"	332.222023	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"333238"	323.7087495	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"726752"	480.8028495	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1486406"	166.6146495	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"401807"	651.365618	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"767541"	965.553818	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1615275"	337.177418	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"325311"	326.186447	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"722590"	483.280547	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1472645"	169.092347	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1065890"	113.06399	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1271944"	347.221686	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"389422"	667.339558	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"747135"	981.527758	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1549186"	353.151358	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"308551"	334.173417	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"699879"	491.267517	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1452604"	177.079317	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"245585"	670.410226	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1221577"	356.222026	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1209687"	178.614651	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"204220"	673.34756	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"644143"	987.53576	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1146760"	359.15936	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"188313"	337.177418	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"628415"	494.271518	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1130069"	180.083318	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1412618"	120.391304	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1445314"	361.200946	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"235289"	342.21044	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1523956"	375.25299	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"423969"	345.164388	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"784268"	502.258488	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1678896"	188.070288	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"265786"	692.392168	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1237399"	378.203968	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1725191"	378.227493	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1191639"	127.718618	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1665192"	383.182888	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"172057"	705.29544	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"612627"	1019.48364	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1099284"	391.10724	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"156216"	353.151358	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"595541"	510.245458	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1082117"	196.057258	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1115330"	393.121792	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1348793"	393.209407	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1019513"	397.248576	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1539346"	398.242208	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"1005386"	199.127926	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1598226"	399.156828	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1424979"	429.188338	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1160734"	219.641201	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1712353"	446.214885	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1649213"	451.17028	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1581581"	467.14422	"C14930"	"3-Methoxy-androsta-35-diene-717-dione"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"811946"	358.2508	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M"	0
"988034"	339.23241	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-H2O-H"	-19.01839
"68255"	237.826590666667	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M-3H"	-3.021828
"515470"	357.243524	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M-3H"	-3.021828
"887804"	118.409657333333	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-3H"	-3.021828
"14036"	357.243524	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M-2H"	-2.014552
"453602"	536.368924	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M-2H"	-2.014552
"831900"	178.118124	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-2H"	-2.014552
"93716"	715.494324	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M-H"	-1.007276
"532669"	1073.745124	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M-H"	-1.007276
"910228"	357.243524	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-H"	-1.007276
"61442"	732.520871	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M-2H+NH4"	16.019271
"501119"	1090.771671	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M-2H+NH4"	16.019271
"877587"	374.270071	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-2H+NH4"	16.019271
"45611"	737.476266	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M-2H+Na"	20.974666
"483222"	1095.727066	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M-2H+Na"	20.974666
"862484"	379.225466	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-2H+Na"	20.974666
"1631287"	379.225466	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Na-2H"	20.974666
"97608"	375.231863	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M-H+Cl"	33.962126
"535465"	554.357263	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M-H+Cl"	33.962126
"929587"	196.106463	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-H+Cl"	33.962126
"276901"	751.471002	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+Cl"	34.969402
"664949"	1109.721802	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+Cl"	34.969402
"1277715"	393.220202	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Cl"	34.969402
"30488"	753.450206	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M-2H+K"	36.948606
"470776"	1111.701006	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M-2H+K"	36.948606
"847605"	395.199406	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-2H+K"	36.948606
"1565134"	395.199406	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+K-2H"	36.948606
"947557"	403.248994	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-H+HCOOH"	44.998194
"369053"	761.499801	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+HCOOH-H"	44.998201
"357311"	775.515451	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+Hac-H"	59.013851
"1505781"	417.264651	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Hac-H"	59.013851
"969312"	425.230951	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-H+NaCOOH"	66.980151
"120770"	393.220202	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+2Cl"	69.938804
"562883"	572.345602	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+2Cl"	69.938804
"1035328"	214.094802	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2Cl"	69.938804
"1254175"	437.169685	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Br"	78.918885
"1318080"	439.225672	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Cl+HCOOH"	80.974872
"1331565"	461.207629	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Cl+NaCOOH"	102.956829
"918248"	471.236386	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M-H+CF3COOH"	112.985586
"1289121"	507.213064	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Cl+CF3COOH"	148.962264
"1373118"	323.238124	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H-2H2O"	-35.012676
"1392803"	341.2481	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H-H2O"	-17.0027
"296499"	717.508876	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+H"	1.007276
"683817"	1075.759676	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+H"	1.007276
"1363450"	359.258076	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H"	1.007276
"131966"	359.258076	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+2H"	2.014552
"566786"	538.383476	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+2H"	2.014552
"1037406"	180.132676	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2H"	2.014552
"219177"	239.841142666667	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+3H"	3.021828
"658498"	359.258076	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+3H"	3.021828
"1177591"	120.424209333333	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+3H"	3.021828
"438069"	734.535423	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+NH4"	18.033823
"786920"	1092.786223	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+NH4"	18.033823
"1685436"	376.284623	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+NH4"	18.033823
"333715"	367.7713495	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+H+NH4"	19.041099
"729416"	546.8967495	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+H+NH4"	19.041099
"1484332"	188.6459495	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H+NH4"	19.041099
"405198"	739.490818	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+Na"	22.989218
"767285"	1097.741618	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+Na"	22.989218
"1615750"	381.240018	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Na"	22.989218
"324327"	370.249047	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+H+Na"	23.996494
"721488"	549.374447	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+H+Na"	23.996494
"1474943"	191.123647	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H+Na"	23.996494
"1067342"	127.751523333333	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2H+Na"	25.00377
"1271573"	391.284286	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+CH3OH+H"	33.033486
"386250"	755.464758	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+K"	38.963158
"748339"	1113.715558	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+K"	38.963158
"1548204"	397.213958	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+K"	38.963158
"310851"	378.236017	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+H+K"	39.970434
"701084"	557.361417	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+H+K"	39.970434
"1456361"	199.110617	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H+K"	39.970434
"248614"	758.535426	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+ACN+H"	42.033826
"1220228"	400.284626	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+ACN+H"	42.033826
"1209434"	200.645951	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+ACN+2H"	43.041102
"203886"	761.47276	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+2Na-H"	44.97116
"643609"	1119.72356	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+2Na-H"	44.97116
"1146506"	403.22196	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2Na-H"	44.97116
"188340"	381.240018	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+2Na"	45.978436
"628375"	560.365418	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+2Na"	45.978436
"1129206"	202.114618	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2Na"	45.978436
"1411753"	135.078837333333	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H+2Na"	46.985712
"1444483"	405.263546	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H+HCOOH"	47.012746
"234057"	386.27304	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+3H2O+2H"	56.04448
"1520898"	419.31559	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+IsoProp+H"	61.06479
"418761"	389.226988	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+Na+K"	61.952376
"777569"	568.352388	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+Na+K"	61.952376
"1679370"	210.101588	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Na+K"	61.952376
"265413"	780.517368	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+ACN+Na"	64.015768
"1240305"	422.266568	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+ACN+Na"	64.015768
"1727735"	422.290093	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+NH4+HCOOH"	64.039293
"1193212"	142.406151333333	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+3Na"	68.967654
"1664211"	427.245488	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Na+HCOOH"	68.994688
"171075"	793.42064	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+2K-H"	76.91904
"611607"	1151.67144	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+2K-H"	76.91904
"1098301"	435.16984	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2K-H"	76.91904
"154869"	397.213958	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"2M+2K"	77.926316
"594802"	576.339358	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"3M+2K"	77.926316
"1082836"	218.088558	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2K"	77.926316
"1114709"	437.184392	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2K+H"	78.933592
"1349269"	437.272007	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+DMSO+H"	79.021207
"1020720"	441.311176	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2ACN+H"	83.060376
"1539334"	442.304808	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+IsoProp+Na+H"	84.054008
"1004564"	221.159226	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+2ACN+2H"	84.067652
"1601618"	443.219428	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+K+HCOOH"	84.968628
"1428369"	473.250938	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+H+CF3COOH"	115.000138
"1160480"	241.672501	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+3ACN+2H"	125.094202
"1712585"	490.277485	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+NH4+CF3COOH"	132.026685
"1649567"	495.23288	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+Na+CF3COOH"	136.98208
"1581691"	511.20682	"C14931"	"16-Butyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C23H34O3"	"358.2508"	"M+K+CF3COOH"	152.95602
"803672"	290.2246	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M"	0
"985590"	271.20621	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"68365"	192.475790666667	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"507925"	289.217324	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"890100"	95.7342573333333	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"13052"	289.217324	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"450428"	434.329624	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"832138"	144.105024	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"93828"	579.441924	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"533265"	869.666524	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"910458"	289.217324	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"61307"	596.468471	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"501714"	886.693071	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"878426"	306.243871	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"45598"	601.423866	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"483332"	891.648466	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"862594"	311.199266	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1631031"	311.199266	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"95531"	307.205663	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"536547"	452.317963	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"928239"	162.093363	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"274822"	615.418602	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"667243"	905.643202	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1276729"	325.194002	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"30718"	617.397806	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"468331"	907.622406	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"843948"	327.173206	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1563058"	327.173206	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"957147"	335.222794	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"370257"	625.447401	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"358515"	639.463051	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1506986"	349.238451	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"972338"	357.204751	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"122339"	325.194002	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"562994"	470.306302	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1035438"	180.081702	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1255012"	369.143485	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1315274"	371.199472	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1330581"	393.181429	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"917265"	403.210186	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1289596"	439.186864	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1373228"	255.211924	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1391820"	273.2219	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"293693"	581.456476	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"683927"	871.681076	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1360279"	291.231876	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"132076"	291.231876	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"568354"	436.344176	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1038487"	146.119576	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"219778"	194.490342666667	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"658974"	291.231876	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1178185"	97.7488093333333	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"433679"	598.483023	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"788487"	888.707623	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1686274"	308.258423	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"335280"	299.7451495	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"730618"	444.8574495	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1487720"	154.6328495	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"404943"	603.438418	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"766303"	893.663018	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1614402"	313.213818	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"325530"	302.222847	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"722446"	447.335147	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1476390"	157.110547	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1068352"	105.076123333333	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1270945"	323.258086	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"386360"	619.412358	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"748449"	909.636958	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1549407"	329.187758	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"312054"	310.209817	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"703380"	455.322117	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1455012"	165.097517	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"249452"	622.483026	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1217420"	332.258426	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1208614"	166.632851	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"203186"	625.42036	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"643718"	915.64496	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1146616"	335.19576	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"188040"	313.213818	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"626783"	458.326118	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1127612"	168.101518	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1411135"	112.403437333333	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1440332"	337.237346	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"227839"	318.24684	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1516995"	351.28939	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"418871"	321.200788	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"774399"	466.313088	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1678388"	176.088488	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"266375"	644.464968	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1240945"	354.240368	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1727963"	354.263893	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1192589"	119.730751333333	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1662863"	359.219288	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"171791"	657.36824	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"611962"	947.59284	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1099140"	367.14364	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"154250"	329.187758	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"596247"	474.300058	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1083437"	184.075458	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1114337"	369.158192	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1349379"	369.245807	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1019252"	373.284976	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1539078"	374.278608	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"1002852"	187.146126	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1602336"	375.193228	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1428359"	405.224738	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1161685"	207.659401	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1712087"	422.251285	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1649556"	427.20668	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1581801"	443.18062	"C14932"	"11beta-Hydroxy-5alpha-androstan-17-one"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"805605"	316.2766	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M"	0
"985700"	297.25821	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-H2O-H"	-19.01839
"69568"	209.843790666667	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M-3H"	-3.021828
"509128"	315.269324	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M-3H"	-3.021828
"889117"	104.418257333333	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-3H"	-3.021828
"9882"	315.269324	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M-2H"	-2.014552
"451632"	473.407624	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M-2H"	-2.014552
"831512"	157.131024	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-2H"	-2.014552
"94224"	631.545924	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M-H"	-1.007276
"533860"	947.822524	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M-H"	-1.007276
"910325"	315.269324	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-H"	-1.007276
"61781"	648.572471	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M-2H+NH4"	16.019271
"500368"	964.849071	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M-2H+NH4"	16.019271
"879028"	332.295871	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-2H+NH4"	16.019271
"45708"	653.527866	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M-2H+Na"	20.974666
"483810"	969.804466	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M-2H+Na"	20.974666
"861975"	337.251266	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-2H+Na"	20.974666
"1629685"	337.251266	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Na-2H"	20.974666
"104391"	333.257663	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M-H+Cl"	33.962126
"536292"	491.395963	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M-H+Cl"	33.962126
"928714"	175.119363	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-H+Cl"	33.962126
"270554"	667.522602	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+Cl"	34.969402
"666257"	983.799202	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+Cl"	34.969402
"1279754"	351.246002	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Cl"	34.969402
"31113"	669.501806	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M-2H+K"	36.948606
"470264"	985.778406	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M-2H+K"	36.948606
"845150"	353.225206	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-2H+K"	36.948606
"1563168"	353.225206	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+K-2H"	36.948606
"956530"	361.274794	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-H+HCOOH"	44.998194
"375106"	677.551401	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+HCOOH-H"	44.998201
"357896"	691.567051	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+Hac-H"	59.013851
"1506003"	375.290451	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Hac-H"	59.013851
"970627"	383.256751	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-H+NaCOOH"	66.980151
"122083"	351.246002	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+2Cl"	69.938804
"563105"	509.384302	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+2Cl"	69.938804
"1033361"	193.107702	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2Cl"	69.938804
"1252936"	395.195485	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Br"	78.918885
"1315384"	397.251472	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Cl+HCOOH"	80.974872
"1329598"	419.233429	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Cl+NaCOOH"	102.956829
"917739"	429.262186	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M-H+CF3COOH"	112.985586
"1294081"	465.238864	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Cl+CF3COOH"	148.962264
"1373338"	281.263924	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H-2H2O"	-35.012676
"1391930"	299.2739	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H-H2O"	-17.0027
"293803"	633.560476	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+H"	1.007276
"684037"	949.837076	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+H"	1.007276
"1354193"	317.283876	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H"	1.007276
"132186"	317.283876	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+2H"	2.014552
"568464"	475.422176	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+2H"	2.014552
"1039083"	159.145576	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2H"	2.014552
"218422"	211.858342666667	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+3H"	3.021828
"659197"	317.283876	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+3H"	3.021828
"1177076"	106.432809333333	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+3H"	3.021828
"439259"	650.587023	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+NH4"	18.033823
"788598"	966.863623	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+NH4"	18.033823
"1686019"	334.310423	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+NH4"	18.033823
"332839"	325.7971495	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+H+NH4"	19.041099
"730729"	483.9354495	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+H+NH4"	19.041099
"1486737"	167.6588495	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H+NH4"	19.041099
"404323"	655.542418	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+Na"	22.989218
"766413"	971.819018	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+Na"	22.989218
"1616697"	339.265818	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Na"	22.989218
"326733"	328.274847	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+H+Na"	23.996494
"722644"	486.413147	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+H+Na"	23.996494
"1476702"	170.136547	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H+Na"	23.996494
"1066826"	113.760123333333	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2H+Na"	25.00377
"1272148"	349.310086	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+CH3OH+H"	33.033486
"386470"	671.516358	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+K"	38.963158
"749652"	987.792958	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+K"	38.963158
"1549517"	355.239758	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+K"	38.963158
"313987"	336.261817	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+H+K"	39.970434
"703490"	494.400117	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+H+K"	39.970434
"1457308"	178.123517	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H+K"	39.970434
"247010"	674.587026	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+ACN+H"	42.033826
"1219717"	358.310426	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+ACN+H"	42.033826
"1209330"	179.658851	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+ACN+2H"	43.041102
"203780"	677.52436	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+2Na-H"	44.97116
"643709"	993.80096	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+2Na-H"	44.97116
"1146116"	361.24776	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2Na-H"	44.97116
"188191"	339.265818	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+2Na"	45.978436
"627751"	497.404118	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+2Na"	45.978436
"1129179"	181.127518	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2Na"	45.978436
"1411973"	121.087437333333	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H+2Na"	46.985712
"1440442"	363.289346	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H+HCOOH"	47.012746
"231230"	344.29884	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+3H2O+2H"	56.04448
"1520385"	377.34139	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+IsoProp+H"	61.06479
"414606"	347.252788	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+Na+K"	61.952376
"777789"	505.391088	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+Na+K"	61.952376
"1679590"	189.114488	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Na+K"	61.952376
"263921"	696.568968	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+ACN+Na"	64.015768
"1239917"	380.292368	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+ACN+Na"	64.015768
"1724428"	380.315893	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+NH4+HCOOH"	64.039293
"1191970"	128.414751333333	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+3Na"	68.967654
"1664555"	385.271288	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Na+HCOOH"	68.994688
"169105"	709.47224	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+2K-H"	76.91904
"612068"	1025.74884	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+2K-H"	76.91904
"1098282"	393.19564	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2K-H"	76.91904
"155944"	355.239758	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"2M+2K"	77.926316
"595751"	513.378058	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"3M+2K"	77.926316
"1083704"	197.101458	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2K"	77.926316
"1114448"	395.210192	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2K+H"	78.933592
"1348396"	395.297807	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+DMSO+H"	79.021207
"1020456"	399.336976	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2ACN+H"	83.060376
"1538944"	400.330608	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+IsoProp+Na+H"	84.054008
"1004421"	200.172126	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+2ACN+2H"	84.067652
"1602324"	401.245228	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+K+HCOOH"	84.968628
"1429761"	431.276738	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+H+CF3COOH"	115.000138
"1162405"	220.685401	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+3ACN+2H"	125.094202
"1711954"	448.303285	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+NH4+CF3COOH"	132.026685
"1649179"	453.25868	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+Na+CF3COOH"	136.98208
"1581911"	469.23262	"C14933"	"17-Propyl-5alpha-androst-2-en-17beta-ol"	"C22H36O"	"316.2766"	"M+K+CF3COOH"	152.95602
"804621"	344.2351	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M"	0
"985810"	325.21671	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"70771"	228.482790666667	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"510331"	343.227824	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"891049"	113.737757333333	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"11085"	343.227824	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"453928"	515.345374	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"832148"	171.110274	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"94092"	687.462924	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"533648"	1031.698024	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"910720"	343.227824	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"62012"	704.489471	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"500114"	1048.724571	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"878528"	360.254371	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"46632"	709.444866	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"485742"	1053.679966	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"863178"	365.209766	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1629795"	365.209766	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"105594"	361.216163	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"536402"	533.333713	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"928095"	189.098613	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"271757"	723.439602	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"666366"	1067.674702	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1274395"	379.204502	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"27895"	725.418806	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"470903"	1069.653906	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"847771"	381.183706	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1564370"	381.183706	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"957369"	389.233294	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"375218"	733.468401	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"358734"	747.484051	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1505019"	403.248951	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"971464"	411.215251	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"122926"	379.204502	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"563215"	551.322052	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1032377"	207.086952	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1252682"	423.153985	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1316587"	425.209972	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1329708"	447.191929	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"921860"	457.220686	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1298567"	493.197364	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1373448"	309.222424	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1392040"	327.2324	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"293913"	689.477476	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"684147"	1033.712576	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1356125"	345.242376	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"131201"	345.242376	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"567601"	517.359926	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1040651"	173.124826	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"212930"	230.497342666667	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"659226"	345.242376	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1175729"	115.752309333333	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"437181"	706.504023	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"789802"	1050.739123	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1685034"	362.268923	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"331245"	353.7556495	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"724275"	525.8731995	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1480285"	181.6380995	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"402246"	711.459418	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"761056"	1055.694518	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1611339"	367.224318	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"323563"	356.233347	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"717078"	528.350897	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1474178"	184.115797	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1060860"	123.079623333333	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1270922"	377.268586	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"386580"	727.433358	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"747574"	1071.668458	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1548533"	383.198258	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"313897"	364.220317	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"703599"	536.337867	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1455231"	192.102767	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"248938"	730.504026	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1216546"	386.268926	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1209561"	193.638101	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"203850"	733.44136	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"643569"	1077.67646	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1145855"	389.20626	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"186224"	367.224318	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"628097"	539.341868	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1127101"	195.106768	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1408437"	130.406937333333	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1438366"	391.247846	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"223685"	372.25734	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1516120"	405.29989	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"414714"	375.211288	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"776800"	547.328838	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1680064"	203.093738	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"262938"	752.485968	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1240026"	408.250868	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1725631"	408.274393	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1188797"	137.734251333333	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1663448"	413.229788	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"169944"	765.38924	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"611204"	1109.62434	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1097662"	421.15414	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"155932"	383.198258	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"595981"	555.315808	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1082557"	211.080708	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1113464"	423.168692	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1349598"	423.256307	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1019716"	427.295476	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1538326"	428.289108	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"1004531"	214.151376	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1601583"	429.203728	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1429602"	459.235238	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1161662"	234.664651	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1712425"	476.261785	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1647465"	481.21718	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1582021"	497.19112	"C14934"	"16-Propyl-3-methoxy-estra-135(10)-triene-16beta17beta-diol"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"812386"	312.1362	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M"	0
"985920"	293.11781	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-H2O-H"	-19.01839
"76350"	207.083524	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M-3H"	-3.021828
"514817"	311.128924	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M-3H"	-3.021828
"890430"	103.038124	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-3H"	-3.021828
"15208"	311.128924	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M-2H"	-2.014552
"453314"	467.197024	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M-2H"	-2.014552
"832702"	155.060824	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-2H"	-2.014552
"94213"	623.265124	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M-H"	-1.007276
"533966"	935.401324	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M-H"	-1.007276
"911078"	311.128924	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-H"	-1.007276
"62569"	640.291671	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M-2H+NH4"	16.019271
"500588"	952.427871	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M-2H+NH4"	16.019271
"879654"	328.155471	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-2H+NH4"	16.019271
"46864"	645.247066	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M-2H+Na"	20.974666
"484758"	957.383266	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M-2H+Na"	20.974666
"860736"	333.110866	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-2H+Na"	20.974666
"1625896"	333.110866	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Na-2H"	20.974666
"104611"	329.117263	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M-H+Cl"	33.962126
"536878"	485.185363	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M-H+Cl"	33.962126
"929298"	173.049163	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-H+Cl"	33.962126
"271502"	659.241802	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+Cl"	34.969402
"665384"	971.378002	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+Cl"	34.969402
"1274869"	347.105602	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Cl"	34.969402
"29098"	661.221006	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M-2H+K"	36.948606
"470846"	973.357206	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M-2H+K"	36.948606
"845367"	349.084806	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-2H+K"	36.948606
"1563387"	349.084806	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+K-2H"	36.948606
"955649"	357.134394	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-H+HCOOH"	44.998194
"376421"	669.270601	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+HCOOH-H"	44.998201
"360667"	683.286251	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+Hac-H"	59.013851
"1506586"	371.150051	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Hac-H"	59.013851
"972304"	379.116351	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-H+NaCOOH"	66.980151
"123763"	347.105602	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+2Cl"	69.938804
"563324"	503.173702	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+2Cl"	69.938804
"1036862"	191.037502	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2Cl"	69.938804
"1254980"	391.055085	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Br"	78.918885
"1316697"	393.111072	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Cl+HCOOH"	80.974872
"1332005"	415.093029	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Cl+NaCOOH"	102.956829
"921970"	425.121786	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M-H+CF3COOH"	112.985586
"1300865"	461.098464	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Cl+CF3COOH"	148.962264
"1374653"	277.123524	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H-2H2O"	-35.012676
"1396525"	295.1335	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H-H2O"	-17.0027
"294023"	625.279676	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+H"	1.007276
"684257"	937.415876	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+H"	1.007276
"1359516"	313.143476	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H"	1.007276
"133499"	313.143476	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+2H"	2.014552
"566497"	469.211576	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+2H"	2.014552
"1044044"	157.075376	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2H"	2.014552
"210853"	209.098076	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+3H"	3.021828
"659921"	313.143476	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+3H"	3.021828
"1178394"	105.052676	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+3H"	3.021828
"439236"	642.306223	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+NH4"	18.033823
"791735"	954.442423	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+NH4"	18.033823
"1689155"	330.170023	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+NH4"	18.033823
"333787"	321.6567495	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+H+NH4"	19.041099
"727668"	477.7248495	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+H+NH4"	19.041099
"1482583"	165.5886495	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H+NH4"	19.041099
"405637"	647.261618	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+Na"	22.989218
"764446"	959.397818	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+Na"	22.989218
"1614730"	335.125418	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Na"	22.989218
"324766"	324.134447	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+H+Na"	23.996494
"720833"	480.202547	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+H+Na"	23.996494
"1475382"	168.066347	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H+Na"	23.996494
"1064250"	112.37999	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2H+Na"	25.00377
"1272371"	345.169686	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+CH3OH+H"	33.033486
"388876"	663.235558	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+K"	38.963158
"749870"	975.371758	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+K"	38.963158
"1550830"	351.099358	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+K"	38.963158
"310560"	332.121417	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+H+K"	39.970434
"704805"	488.189517	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+H+K"	39.970434
"1454248"	176.053317	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H+K"	39.970434
"249412"	666.306226	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+ACN+H"	42.033826
"1223946"	354.170026	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+ACN+H"	42.033826
"1209820"	177.588651	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+ACN+2H"	43.041102
"204165"	669.24356	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+2Na-H"	44.97116
"644226"	981.37976	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+2Na-H"	44.97116
"1146954"	357.10736	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2Na-H"	44.97116
"188402"	335.125418	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+2Na"	45.978436
"628004"	491.193518	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+2Na"	45.978436
"1130008"	179.057318	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2Na"	45.978436
"1409640"	119.707304	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H+2Na"	46.985712
"1441756"	359.148946	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H+HCOOH"	47.012746
"231447"	340.15844	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+3H2O+2H"	56.04448
"1519509"	373.20099	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+IsoProp+H"	61.06479
"419196"	343.112388	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+Na+K"	61.952376
"780189"	499.180488	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+Na+K"	61.952376
"1680174"	187.044288	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Na+K"	61.952376
"261954"	688.288168	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+ACN+Na"	64.015768
"1240135"	376.151968	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+ACN+Na"	64.015768
"1722456"	376.175493	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+NH4+HCOOH"	64.039293
"1190002"	127.034618	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+3Na"	68.967654
"1663556"	381.130888	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Na+HCOOH"	68.994688
"170418"	701.19144	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+2K-H"	76.91904
"611433"	1013.32764	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+2K-H"	76.91904
"1098136"	389.05524	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2K-H"	76.91904
"155674"	351.099358	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"2M+2K"	77.926316
"594874"	507.167458	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"3M+2K"	77.926316
"1082302"	195.031258	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2K"	77.926316
"1114913"	391.069792	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2K+H"	78.933592
"1350565"	391.157407	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+DMSO+H"	79.021207
"1020920"	395.196576	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2ACN+H"	83.060376
"1538558"	396.190208	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+IsoProp+Na+H"	84.054008
"1005604"	198.101926	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+2ACN+2H"	84.067652
"1602060"	397.104828	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+K+HCOOH"	84.968628
"1429854"	427.136338	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+H+CF3COOH"	115.000138
"1162545"	218.615201	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+3ACN+2H"	125.094202
"1711810"	444.162885	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+NH4+CF3COOH"	132.026685
"1649400"	449.11828	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+Na+CF3COOH"	136.98208
"1582131"	465.09222	"C14935"	"m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid"	"C19H20O4"	"312.1362"	"M+K+CF3COOH"	152.95602
"802655"	269.0607	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M"	0
"982750"	250.04231	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-H2O-H"	-19.01839
"75366"	178.366524	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M-3H"	-3.021828
"513833"	268.053424	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M-3H"	-3.021828
"890176"	88.679624	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-3H"	-3.021828
"12401"	268.053424	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M-2H"	-2.014552
"448677"	402.583774	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M-2H"	-2.014552
"831597"	133.523074	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-2H"	-2.014552
"92925"	537.114124	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M-H"	-1.007276
"527864"	806.174824	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M-H"	-1.007276
"907853"	268.053424	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-H"	-1.007276
"54936"	554.140671	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M-2H+NH4"	16.019271
"498511"	823.201371	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M-2H+NH4"	16.019271
"878137"	285.079971	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-2H+NH4"	16.019271
"45673"	559.096066	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M-2H+Na"	20.974666
"484506"	828.156766	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M-2H+Na"	20.974666
"858657"	290.035366	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-2H+Na"	20.974666
"1630745"	290.035366	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Na-2H"	20.974666
"106180"	286.041763	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M-H+Cl"	33.962126
"542094"	420.572113	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M-H+Cl"	33.962126
"930140"	151.511413	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-H+Cl"	33.962126
"269182"	573.090802	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+Cl"	34.969402
"666953"	842.151502	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+Cl"	34.969402
"1276074"	304.030102	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Cl"	34.969402
"25928"	575.070006	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M-2H+K"	36.948606
"468770"	844.130706	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M-2H+K"	36.948606
"843290"	306.009306	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-2H+K"	36.948606
"1567872"	306.009306	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+K-2H"	36.948606
"957585"	314.058894	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-H+HCOOH"	44.998194
"375677"	583.119601	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+HCOOH-H"	44.998201
"359679"	597.135251	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+Hac-H"	59.013851
"1503407"	328.074551	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Hac-H"	59.013851
"968760"	336.040851	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-H+NaCOOH"	66.980151
"124604"	304.030102	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+2Cl"	69.938804
"563800"	438.560452	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+2Cl"	69.938804
"1034785"	169.499752	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2Cl"	69.938804
"1255457"	347.979585	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Br"	78.918885
"1318268"	350.035572	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Cl+HCOOH"	80.974872
"1328835"	372.017529	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Cl+NaCOOH"	102.956829
"919892"	382.046286	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M-H+CF3COOH"	112.985586
"1298787"	418.022964	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Cl+CF3COOH"	148.962264
"1376950"	234.048024	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H-2H2O"	-35.012676
"1397728"	252.058	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H-H2O"	-17.0027
"291947"	539.128676	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+H"	1.007276
"684367"	808.189376	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+H"	1.007276
"1360719"	270.067976	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H"	1.007276
"134701"	270.067976	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+2H"	2.014552
"569887"	404.598326	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+2H"	2.014552
"1038682"	135.537626	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2H"	2.014552
"209870"	180.381076	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+3H"	3.021828
"650525"	270.067976	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+3H"	3.021828
"1167556"	90.694176	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+3H"	3.021828
"439344"	556.155223	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+NH4"	18.033823
"787830"	825.215923	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+NH4"	18.033823
"1684894"	287.094523	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+NH4"	18.033823
"332440"	278.5812495	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+H+NH4"	19.041099
"728870"	413.1115995	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+H+NH4"	19.041099
"1481598"	144.0508995	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H+NH4"	19.041099
"396997"	561.110618	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+Na"	22.989218
"765650"	830.171318	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+Na"	22.989218
"1614843"	292.049918	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Na"	22.989218
"323785"	281.058947	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+H+Na"	23.996494
"720213"	415.589297	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+H+Na"	23.996494
"1473305"	146.528597	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H+Na"	23.996494
"1067767"	98.02149	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2H+Na"	25.00377
"1268225"	302.094186	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+CH3OH+H"	33.033486
"387893"	577.084558	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+K"	38.963158
"748887"	846.145258	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+K"	38.963158
"1545472"	308.023858	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+K"	38.963158
"311398"	289.045917	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+H+K"	39.970434
"704915"	423.576267	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+H+K"	39.970434
"1452172"	154.515567	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H+K"	39.970434
"249158"	580.155226	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+ACN+H"	42.033826
"1223331"	311.094526	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+ACN+H"	42.033826
"1209499"	156.050901	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+ACN+2H"	43.041102
"203865"	583.09256	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+2Na-H"	44.97116
"643299"	852.15326	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+2Na-H"	44.97116
"1145345"	314.03186	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2Na-H"	44.97116
"185715"	292.049918	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+2Na"	45.978436
"626003"	426.580268	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+2Na"	45.978436
"1126228"	157.519568	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2Na"	45.978436
"1408655"	105.348804	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H+2Na"	46.985712
"1440043"	316.073446	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H+HCOOH"	47.012746
"230462"	297.08294	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+3H2O+2H"	56.04448
"1518162"	330.12549	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+IsoProp+H"	61.06479
"417485"	300.036888	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+Na+K"	61.952376
"778112"	434.567238	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+Na+K"	61.952376
"1671161"	165.506538	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Na+K"	61.952376
"256596"	602.137168	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+ACN+Na"	64.015768
"1236961"	333.076468	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+ACN+Na"	64.015768
"1720379"	333.099993	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+NH4+HCOOH"	64.039293
"1189017"	112.676118	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+3Na"	68.967654
"1664396"	338.055388	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Na+HCOOH"	68.994688
"171257"	615.04044	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+2K-H"	76.91904
"611780"	884.10114	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+2K-H"	76.91904
"1096782"	345.97974	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2K-H"	76.91904
"153956"	308.023858	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"2M+2K"	77.926316
"593525"	442.554208	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"3M+2K"	77.926316
"1081318"	173.493508	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2K"	77.926316
"1115020"	347.994292	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2K+H"	78.933592
"1350064"	348.081907	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+DMSO+H"	79.021207
"1020991"	352.121076	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2ACN+H"	83.060376
"1539481"	353.114708	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+IsoProp+Na+H"	84.054008
"1005448"	176.564176	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+2ACN+2H"	84.067652
"1602719"	354.029328	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+K+HCOOH"	84.968628
"1429613"	384.060838	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+H+CF3COOH"	115.000138
"1161030"	197.077451	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+3ACN+2H"	125.094202
"1711676"	401.087385	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+NH4+CF3COOH"	132.026685
"1649146"	406.04278	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+Na+CF3COOH"	136.98208
"1582241"	422.01672	"C14936"	"2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile"	"C16H12ClNO"	"269.0607"	"M+K+CF3COOH"	152.95602
"803858"	377.293	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M"	0
"982860"	358.27461	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-H2O-H"	-19.01839
"72196"	250.521390666667	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M-3H"	-3.021828
"515036"	376.285724	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M-3H"	-3.021828
"882995"	124.757057333333	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-3H"	-3.021828
"12507"	376.285724	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M-2H"	-2.014552
"444412"	564.932224	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M-2H"	-2.014552
"832441"	187.639224	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-2H"	-2.014552
"92672"	753.578724	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M-H"	-1.007276
"527245"	1130.871724	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M-H"	-1.007276
"907963"	376.285724	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-H"	-1.007276
"56140"	770.605271	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M-2H+NH4"	16.019271
"499350"	1147.898271	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M-2H+NH4"	16.019271
"873502"	393.312271	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-2H+NH4"	16.019271
"45421"	775.560666	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M-2H+Na"	20.974666
"485831"	1152.853666	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M-2H+Na"	20.974666
"857674"	398.267666	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-2H+Na"	20.974666
"1631219"	398.267666	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Na-2H"	20.974666
"106290"	394.274063	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M-H+Cl"	33.962126
"544756"	582.920563	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M-H+Cl"	33.962126
"931343"	205.627563	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-H+Cl"	33.962126
"269900"	789.555402	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+Cl"	34.969402
"664873"	1166.848402	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+Cl"	34.969402
"1278370"	412.262402	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Cl"	34.969402
"23480"	791.534606	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M-2H+K"	36.948606
"469733"	1168.827606	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M-2H+K"	36.948606
"845222"	414.241606	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-2H+K"	36.948606
"1567981"	414.241606	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+K-2H"	36.948606
"956965"	422.291194	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-H+HCOOH"	44.998194
"375179"	799.584201	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+HCOOH-H"	44.998201
"358695"	813.599851	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+Hac-H"	59.013851
"1498049"	436.306851	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Hac-H"	59.013851
"965590"	444.273151	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-H+NaCOOH"	66.980151
"125442"	412.262402	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+2Cl"	69.938804
"564274"	600.908902	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+2Cl"	69.938804
"1036233"	223.615902	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2Cl"	69.938804
"1255567"	456.211885	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Br"	78.918885
"1319678"	458.267872	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Cl+HCOOH"	80.974872
"1330038"	480.249829	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Cl+NaCOOH"	102.956829
"920002"	490.278586	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M-H+CF3COOH"	112.985586
"1299991"	526.255264	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Cl+CF3COOH"	148.962264
"1375966"	342.280324	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H-2H2O"	-35.012676
"1397354"	360.2903	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H-H2O"	-17.0027
"292057"	755.593276	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+H"	1.007276
"684477"	1132.886276	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+H"	1.007276
"1361922"	378.300276	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H"	1.007276
"134811"	378.300276	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+2H"	2.014552
"568904"	566.946776	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+2H"	2.014552
"1039886"	189.653776	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2H"	2.014552
"214352"	252.535942666667	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+3H"	3.021828
"650634"	378.300276	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+3H"	3.021828
"1169852"	126.771609333333	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+3H"	3.021828
"437873"	772.619823	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+NH4"	18.033823
"800576"	1149.912823	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+NH4"	18.033823
"1687191"	395.326823	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+NH4"	18.033823
"342030"	386.8135495	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+H+NH4"	19.041099
"727889"	575.4600495	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+H+NH4"	19.041099
"1487177"	198.1670495	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H+NH4"	19.041099
"403672"	777.575218	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+Na"	22.989218
"764666"	1154.868218	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+Na"	22.989218
"1616406"	400.282218	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Na"	22.989218
"324987"	389.291247	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+H+Na"	23.996494
"719593"	577.937747	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+H+Na"	23.996494
"1475602"	200.644747	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H+Na"	23.996494
"1063377"	134.098923333333	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2H+Na"	25.00377
"1266148"	410.326486	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+CH3OH+H"	33.033486
"383628"	793.549158	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+K"	38.963158
"751549"	1170.842158	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+K"	38.963158
"1548862"	416.256158	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+K"	38.963158
"303852"	397.278217	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+H+K"	39.970434
"695179"	585.924717	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+H+K"	39.970434
"1450090"	208.631717	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H+K"	39.970434
"243071"	796.619826	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+ACN+H"	42.033826
"1221980"	419.326826	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+ACN+H"	42.033826
"1209041"	210.167051	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+ACN+2H"	43.041102
"202391"	799.55716	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+2Na-H"	44.97116
"643530"	1176.85016	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+2Na-H"	44.97116
"1146305"	422.26416	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2Na-H"	44.97116
"185825"	400.282218	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+2Na"	45.978436
"626113"	588.928718	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+2Na"	45.978436
"1127431"	211.635718	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2Na"	45.978436
"1408764"	141.426237333333	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H+2Na"	46.985712
"1439424"	424.305746	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H+HCOOH"	47.012746
"230209"	405.31524	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+3H2O+2H"	56.04448
"1519002"	438.35779	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+IsoProp+H"	61.06479
"419781"	408.269188	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+Na+K"	61.952376
"778951"	596.915688	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+Na+K"	61.952376
"1672364"	219.622688	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Na+K"	61.952376
"254519"	818.601768	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+ACN+Na"	64.015768
"1237071"	441.308768	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+ACN+Na"	64.015768
"1719396"	441.332293	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+NH4+HCOOH"	64.039293
"1190220"	148.753551333333	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+3Na"	68.967654
"1664867"	446.287688	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Na+HCOOH"	68.994688
"172094"	831.50504	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+2K-H"	76.91904
"609097"	1208.79804	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+2K-H"	76.91904
"1095800"	454.21204	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2K-H"	76.91904
"151880"	416.256158	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"2M+2K"	77.926316
"592541"	604.902658	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"3M+2K"	77.926316
"1080699"	227.609658	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2K"	77.926316
"1115415"	456.226592	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2K+H"	78.933592
"1349930"	456.314207	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+DMSO+H"	79.021207
"1020776"	460.353376	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2ACN+H"	83.060376
"1539847"	461.347008	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+IsoProp+Na+H"	84.054008
"1005589"	230.680326	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+2ACN+2H"	84.067652
"1601430"	462.261628	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+K+HCOOH"	84.968628
"1427939"	492.293138	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+H+CF3COOH"	115.000138
"1161749"	251.193601	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+3ACN+2H"	125.094202
"1710692"	509.319685	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+NH4+CF3COOH"	132.026685
"1648890"	514.27508	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+Na+CF3COOH"	136.98208
"1582351"	530.24902	"C14937"	"6beta-(Dimethylamino)-3beta5-dihydroxy-5alpha-pregnan-20-one"	"C23H39NO3"	"377.293"	"M+K+CF3COOH"	152.95602
"803239"	246.0924	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M"	0
"982970"	227.07401	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-H2O-H"	-19.01839
"72306"	163.054324	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M-3H"	-3.021828
"512960"	245.085124	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M-3H"	-3.021828
"882012"	81.023524	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-3H"	-3.021828
"12618"	245.085124	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M-2H"	-2.014552
"444522"	368.131324	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M-2H"	-2.014552
"832427"	122.038924	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-2H"	-2.014552
"94079"	491.177524	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M-H"	-1.007276
"532095"	737.269924	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M-H"	-1.007276
"908437"	245.085124	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-H"	-1.007276
"59529"	508.204071	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M-2H+NH4"	16.019271
"500187"	754.296471	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M-2H+NH4"	16.019271
"875798"	262.111671	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-2H+NH4"	16.019271
"43704"	513.159466	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M-2H+Na"	20.974666
"485450"	759.251866	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M-2H+Na"	20.974666
"857784"	267.067066	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-2H+Na"	20.974666
"1625129"	267.067066	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Na-2H"	20.974666
"99470"	263.073463	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M-H+Cl"	33.962126
"539033"	386.119663	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M-H+Cl"	33.962126
"932546"	140.027263	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-H+Cl"	33.962126
"270010"	527.154202	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+Cl"	34.969402
"664983"	773.246602	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+Cl"	34.969402
"1278480"	281.061802	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Cl"	34.969402
"23590"	529.133406	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M-2H+K"	36.948606
"470449"	775.225806	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M-2H+K"	36.948606
"844603"	283.041006	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-2H+K"	36.948606
"1569185"	283.041006	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+K-2H"	36.948606
"953793"	291.090594	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-H+HCOOH"	44.998194
"373830"	537.183001	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+HCOOH-H"	44.998201
"358805"	551.198651	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+Hac-H"	59.013851
"1498159"	305.106251	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Hac-H"	59.013851
"965700"	313.072551	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-H+NaCOOH"	66.980151
"117886"	281.061802	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+2Cl"	69.938804
"556716"	404.108002	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+2Cl"	69.938804
"1030621"	158.015602	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2Cl"	69.938804
"1253480"	325.011285	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Br"	78.918885
"1312648"	327.067272	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Cl+HCOOH"	80.974872
"1329052"	349.049229	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Cl+NaCOOH"	102.956829
"920113"	359.077986	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M-H+CF3COOH"	112.985586
"1297913"	395.054664	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Cl+CF3COOH"	148.962264
"1376076"	211.079724	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H-2H2O"	-35.012676
"1391387"	229.0897	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H-H2O"	-17.0027
"292167"	493.192076	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+H"	1.007276
"679119"	739.284476	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+H"	1.007276
"1363126"	247.099676	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H"	1.007276
"134921"	247.099676	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+2H"	2.014552
"571200"	370.145876	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+2H"	2.014552
"1039998"	124.053476	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2H"	2.014552
"208993"	165.068876	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+3H"	3.021828
"654025"	247.099676	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+3H"	3.021828
"1169962"	83.038076	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+3H"	3.021828
"436887"	510.218623	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+NH4"	18.033823
"800690"	756.311023	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+NH4"	18.033823
"1683290"	264.126223	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+NH4"	18.033823
"336670"	255.6129495	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+H+NH4"	19.041099
"730186"	378.6591495	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+H+NH4"	19.041099
"1485099"	132.5667495	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H+NH4"	19.041099
"398310"	515.174018	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+Na"	22.989218
"763679"	761.266418	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+Na"	22.989218
"1609592"	269.081618	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Na"	22.989218
"324002"	258.090647	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+H+Na"	23.996494
"714236"	381.136847	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+H+Na"	23.996494
"1464776"	135.044447	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H+Na"	23.996494
"1061301"	90.36539	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2H+Na"	25.00377
"1269540"	279.125886	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+CH3OH+H"	33.033486
"384831"	531.147958	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+K"	38.963158
"751295"	777.240358	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+K"	38.963158
"1548971"	285.055558	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+K"	38.963158
"301773"	266.077617	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+H+K"	39.970434
"694193"	389.123817	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+H+K"	39.970434
"1445823"	143.031417	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H+K"	39.970434
"240991"	534.218626	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+ACN+H"	42.033826
"1223910"	288.126226	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+ACN+H"	42.033826
"1208774"	144.566751	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+ACN+2H"	43.041102
"202621"	537.15596	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+2Na-H"	44.97116
"642300"	783.24836	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+2Na-H"	44.97116
"1144467"	291.06356	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2Na-H"	44.97116
"183383"	269.081618	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+2Na"	45.978436
"624764"	392.127818	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+2Na"	45.978436
"1127175"	146.035418	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2Na"	45.978436
"1408874"	97.692704	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H+2Na"	46.985712
"1441720"	293.105146	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H+HCOOH"	47.012746
"233963"	274.11464	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+3H2O+2H"	56.04448
"1517653"	307.15719	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+IsoProp+H"	61.06479
"421349"	277.068588	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+Na+K"	61.952376
"777239"	400.114788	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+Na+K"	61.952376
"1672474"	154.022388	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Na+K"	61.952376
"256815"	556.200568	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+ACN+Na"	64.015768
"1237181"	310.108168	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+ACN+Na"	64.015768
"1719506"	310.131693	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+NH4+HCOOH"	64.039293
"1191423"	105.020018	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+3Na"	68.967654
"1664978"	315.087088	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Na+HCOOH"	68.994688
"170377"	569.10384	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+2K-H"	76.91904
"609939"	815.19624	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+2K-H"	76.91904
"1094815"	323.01144	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2K-H"	76.91904
"152353"	285.055558	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"2M+2K"	77.926316
"593745"	408.101758	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"3M+2K"	77.926316
"1080810"	162.009358	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2K"	77.926316
"1114147"	325.025992	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2K+H"	78.933592
"1349311"	325.113607	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+DMSO+H"	79.021207
"1019184"	329.152776	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2ACN+H"	83.060376
"1539377"	330.146408	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+IsoProp+Na+H"	84.054008
"1005469"	165.080026	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+2ACN+2H"	84.067652
"1602559"	331.061028	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+K+HCOOH"	84.968628
"1429143"	361.092538	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+H+CF3COOH"	115.000138
"1160523"	185.593301	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+3ACN+2H"	125.094202
"1709710"	378.119085	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+NH4+CF3COOH"	132.026685
"1648636"	383.07448	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+Na+CF3COOH"	136.98208
"1582461"	399.04842	"C14938"	"N-(4-Chlorophenyl)methyl-N-ethyl-2-pyridinamine"	"C14H15ClN2"	"246.0924"	"M+K+CF3COOH"	152.95602
"804078"	360.2301	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M"	0
"981986"	341.21171	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-H2O-H"	-19.01839
"69134"	239.146124	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M-3H"	-3.021828
"513070"	359.222824	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M-3H"	-3.021828
"883215"	119.069424	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-3H"	-3.021828
"9448"	359.222824	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M-2H"	-2.014552
"445725"	539.337874	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M-2H"	-2.014552
"832452"	179.107774	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-2H"	-2.014552
"94278"	719.452924	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M-H"	-1.007276
"533869"	1079.683024	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M-H"	-1.007276
"906359"	359.222824	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-H"	-1.007276
"60368"	736.479471	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M-2H+NH4"	16.019271
"499198"	1096.709571	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M-2H+NH4"	16.019271
"873720"	376.249371	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-2H+NH4"	16.019271
"45636"	741.434866	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M-2H+Na"	20.974666
"486532"	1101.664966	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M-2H+Na"	20.974666
"861173"	381.204766	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-2H+Na"	20.974666
"1625239"	381.204766	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Na-2H"	20.974666
"95444"	377.211163	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M-H+Cl"	33.962126
"542423"	557.326213	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M-H+Cl"	33.962126
"928522"	197.096113	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-H+Cl"	33.962126
"269391"	755.429602	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+Cl"	34.969402
"665822"	1115.659702	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+Cl"	34.969402
"1279683"	395.199502	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Cl"	34.969402
"25160"	757.408806	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M-2H+K"	36.948606
"471213"	1117.638906	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M-2H+K"	36.948606
"844349"	397.178706	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-2H+K"	36.948606
"1569660"	397.178706	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+K-2H"	36.948606
"954996"	405.228294	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-H+HCOOH"	44.998194
"376126"	765.458401	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+HCOOH-H"	44.998201
"358551"	779.474051	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+Hac-H"	59.013851
"1498269"	419.243951	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Hac-H"	59.013851
"965810"	427.210251	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-H+NaCOOH"	66.980151
"117996"	395.199502	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+2Cl"	69.938804
"557555"	575.314552	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+2Cl"	69.938804
"1030731"	215.084452	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2Cl"	69.938804
"1253955"	439.148985	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Br"	78.918885
"1313851"	441.204972	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Cl+HCOOH"	80.974872
"1330255"	463.186929	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Cl+NaCOOH"	102.956829
"922408"	473.215686	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M-H+CF3COOH"	112.985586
"1295836"	509.192364	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Cl+CF3COOH"	148.962264
"1377279"	325.217424	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H-2H2O"	-35.012676
"1391497"	343.2274	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H-H2O"	-17.0027
"293370"	721.467476	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+H"	1.007276
"679229"	1081.697576	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+H"	1.007276
"1361049"	361.237376	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H"	1.007276
"133937"	361.237376	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+2H"	2.014552
"572403"	541.352426	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+2H"	2.014552
"1042294"	181.122326	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2H"	2.014552
"210925"	241.160676	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+3H"	3.021828
"653038"	361.237376	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+3H"	3.021828
"1168978"	121.083976	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+3H"	3.021828
"436634"	738.494023	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+NH4"	18.033823
"799827"	1098.724123	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+NH4"	18.033823
"1693970"	378.263923	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+NH4"	18.033823
"333500"	369.7506495	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+H+NH4"	19.041099
"729202"	549.8656995	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+H+NH4"	19.041099
"1481197"	189.6355995	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H+NH4"	19.041099
"398420"	743.449418	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+Na"	22.989218
"764885"	1103.679518	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+Na"	22.989218
"1610795"	383.219318	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Na"	22.989218
"323018"	372.228347	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+H+Na"	23.996494
"714346"	552.343397	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+H+Na"	23.996494
"1464886"	192.113297	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H+Na"	23.996494
"1060318"	128.41129	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2H+Na"	25.00377
"1270743"	393.263586	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+CH3OH+H"	33.033486
"383848"	759.423358	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+K"	38.963158
"751405"	1119.653458	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+K"	38.963158
"1544707"	399.193258	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+K"	38.963158
"301883"	380.215317	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+H+K"	39.970434
"694303"	560.330367	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+H+K"	39.970434
"1446054"	200.100267	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H+K"	39.970434
"241101"	762.494026	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+ACN+H"	42.033826
"1223656"	402.263926	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+ACN+H"	42.033826
"1209491"	201.635601	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+ACN+2H"	43.041102
"203094"	765.43136	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+2Na-H"	44.97116
"643258"	1125.66146	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+2Na-H"	44.97116
"1144577"	405.20126	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2Na-H"	44.97116
"186408"	383.219318	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+2Na"	45.978436
"624508"	563.334368	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+2Na"	45.978436
"1127285"	203.104268	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2Na"	45.978436
"1408983"	135.738604	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H+2Na"	46.985712
"1441100"	407.242846	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H+HCOOH"	47.012746
"229700"	388.25234	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+3H2O+2H"	56.04448
"1518856"	421.29489	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+IsoProp+H"	61.06479
"423041"	391.206288	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+Na+K"	61.952376
"776256"	571.321338	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+Na+K"	61.952376
"1673680"	211.091238	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Na+K"	61.952376
"258012"	784.475968	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+ACN+Na"	64.015768
"1235104"	424.245868	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+ACN+Na"	64.015768
"1715605"	424.269393	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+NH4+HCOOH"	64.039293
"1193598"	143.065918	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+3Na"	68.967654
"1663991"	429.224788	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Na+HCOOH"	68.994688
"170852"	797.37924	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+2K-H"	76.91904
"610413"	1157.60934	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+2K-H"	76.91904
"1098440"	437.14914	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2K-H"	76.91904
"153553"	399.193258	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"2M+2K"	77.926316
"588738"	579.308308	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"3M+2K"	77.926316
"1076533"	219.078208	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2K"	77.926316
"1109743"	439.163692	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2K+H"	78.933592
"1347598"	439.251307	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+DMSO+H"	79.021207
"1018322"	443.290476	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2ACN+H"	83.060376
"1539003"	444.284108	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+IsoProp+Na+H"	84.054008
"1005086"	222.148876	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+2ACN+2H"	84.067652
"1602522"	445.198728	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+K+HCOOH"	84.968628
"1427794"	475.230238	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+H+CF3COOH"	115.000138
"1160998"	242.662151	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+3ACN+2H"	125.094202
"1712004"	492.256785	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+NH4+CF3COOH"	132.026685
"1649110"	497.21218	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+Na+CF3COOH"	136.98208
"1582571"	513.18612	"C14939"	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione;6alpha-Methyl-11beta17alpha-dihydroxyprogesterone"	"C22H32O4"	"360.2301"	"M+K+CF3COOH"	152.95602
"803095"	360.1209	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M"	0
"979910"	341.10251	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-H2O-H"	-19.01839
"63120"	239.073324	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M-3H"	-3.021828
"513180"	359.113624	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M-3H"	-3.021828
"881139"	119.033024	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-3H"	-3.021828
"8465"	359.113624	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M-2H"	-2.014552
"442556"	539.174074	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M-2H"	-2.014552
"832239"	179.053174	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-2H"	-2.014552
"94219"	719.234524	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M-H"	-1.007276
"534211"	1079.355424	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M-H"	-1.007276
"908291"	359.113624	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-H"	-1.007276
"60114"	736.261071	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M-2H+NH4"	16.019271
"498580"	1096.381971	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M-2H+NH4"	16.019271
"871278"	376.140171	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-2H+NH4"	16.019271
"47138"	741.216466	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M-2H+Na"	20.974666
"487000"	1101.337366	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M-2H+Na"	20.974666
"858003"	381.095566	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-2H+Na"	20.974666
"1624256"	381.095566	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Na-2H"	20.974666
"94291"	377.101963	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M-H+Cl"	33.962126
"542533"	557.162413	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M-H+Cl"	33.962126
"927377"	197.041513	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-H+Cl"	33.962126
"268771"	755.211202	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+Cl"	34.969402
"660377"	1115.332102	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+Cl"	34.969402
"1278700"	395.090302	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Cl"	34.969402
"25270"	757.190406	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M-2H+K"	36.948606
"471122"	1117.311306	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M-2H+K"	36.948606
"845552"	397.069506	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-2H+K"	36.948606
"1570742"	397.069506	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+K-2H"	36.948606
"956199"	405.119094	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-H+HCOOH"	44.998194
"376237"	765.240001	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+HCOOH-H"	44.998201
"358661"	779.255651	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+Hac-H"	59.013851
"1502388"	419.134751	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Hac-H"	59.013851
"965918"	427.101051	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-H+NaCOOH"	66.980151
"111909"	395.090302	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+2Cl"	69.938804
"556572"	575.150752	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+2Cl"	69.938804
"1030841"	215.029852	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2Cl"	69.938804
"1252243"	439.039785	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Br"	78.918885
"1311775"	441.095772	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Cl+HCOOH"	80.974872
"1329272"	463.077729	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Cl+NaCOOH"	102.956829
"921425"	473.106486	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M-H+CF3COOH"	112.985586
"1298132"	509.083164	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Cl+CF3COOH"	148.962264
"1377388"	325.108224	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H-2H2O"	-35.012676
"1391607"	343.1182	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H-H2O"	-17.0027
"291293"	721.249076	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+H"	1.007276
"679339"	1081.369976	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+H"	1.007276
"1363346"	361.128176	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H"	1.007276
"134047"	361.128176	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+2H"	2.014552
"572513"	541.188626	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+2H"	2.014552
"1042404"	181.067726	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2H"	2.014552
"211035"	241.087876	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+3H"	3.021828
"653148"	361.128176	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+3H"	3.021828
"1171274"	121.047576	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+3H"	3.021828
"437472"	738.275623	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+NH4"	18.033823
"792283"	1098.396523	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+NH4"	18.033823
"1690798"	378.154723	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+NH4"	18.033823
"332515"	369.6414495	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+H+NH4"	19.041099
"726394"	549.7018995	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+H+NH4"	19.041099
"1483132"	189.5809995	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H+NH4"	19.041099
"396344"	743.231018	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+Na"	22.989218
"763901"	1103.351918	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+Na"	22.989218
"1605438"	383.110118	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Na"	22.989218
"322035"	372.119147	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+H+Na"	23.996494
"713363"	552.179597	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+H+Na"	23.996494
"1467184"	192.058697	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H+Na"	23.996494
"1061522"	128.37489	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2H+Na"	25.00377
"1271582"	393.154386	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+CH3OH+H"	33.033486
"383958"	759.204958	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+K"	38.963158
"752607"	1119.325858	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+K"	38.963158
"1545911"	399.084058	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+K"	38.963158
"299441"	380.106117	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+H+K"	39.970434
"694413"	560.166567	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+H+K"	39.970434
"1445630"	200.045667	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H+K"	39.970434
"240116"	762.275626	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+ACN+H"	42.033826
"1223038"	402.154726	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+ACN+H"	42.033826
"1208015"	201.581001	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+ACN+2H"	43.041102
"204059"	765.21296	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+2Na-H"	44.97116
"644066"	1125.33386	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+2Na-H"	44.97116
"1143592"	405.09206	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2Na-H"	44.97116
"185059"	383.110118	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+2Na"	45.978436
"625710"	563.170568	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+2Na"	45.978436
"1125570"	203.049668	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2Na"	45.978436
"1406906"	135.702204	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H+2Na"	46.985712
"1441210"	407.133646	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H+HCOOH"	47.012746
"229810"	388.14314	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+3H2O+2H"	56.04448
"1518966"	421.18569	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+IsoProp+H"	61.06479
"423272"	391.097088	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+Na+K"	61.952376
"776366"	571.157538	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+Na+K"	61.952376
"1671601"	211.036638	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Na+K"	61.952376
"257028"	784.257568	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+ACN+Na"	64.015768
"1235214"	424.136668	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+ACN+Na"	64.015768
"1714622"	424.160193	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+NH4+HCOOH"	64.039293
"1190550"	143.029518	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+3Na"	68.967654
"1663734"	429.115588	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Na+HCOOH"	68.994688
"171689"	797.16084	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+2K-H"	76.91904
"611252"	1157.28174	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+2K-H"	76.91904
"1098063"	437.03994	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2K-H"	76.91904
"153663"	399.084058	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"2M+2K"	77.926316
"587755"	579.144508	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"3M+2K"	77.926316
"1076643"	219.023608	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2K"	77.926316
"1108759"	439.054492	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2K+H"	78.933592
"1346243"	439.142107	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+DMSO+H"	79.021207
"1018069"	443.181276	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2ACN+H"	83.060376
"1538380"	444.174908	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+IsoProp+Na+H"	84.054008
"1004707"	222.094276	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+2ACN+2H"	84.067652
"1601884"	445.089528	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+K+HCOOH"	84.968628
"1426081"	475.121038	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+H+CF3COOH"	115.000138
"1159649"	242.607551	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+3ACN+2H"	125.094202
"1710293"	492.147585	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+NH4+CF3COOH"	132.026685
"1647034"	497.10298	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+Na+CF3COOH"	136.98208
"1582681"	513.07692	"C14940"	"23-Dihydro-2-(4-hydroxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C19H20O7"	"360.1209"	"M+K+CF3COOH"	152.95602
"811956"	432.142	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M"	0
"983301"	413.12361	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H2O-H"	-19.01839
"69358"	287.087390666667	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-3H"	-3.021828
"510011"	431.134724	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-3H"	-3.021828
"883438"	143.040057333333	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-3H"	-3.021828
"11856"	431.134724	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H"	-2.014552
"455321"	647.205724	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H"	-2.014552
"832433"	215.063724	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H"	-2.014552
"94094"	863.276724	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-H"	-1.007276
"533969"	1295.418724	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-H"	-1.007276
"910106"	431.134724	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H"	-1.007276
"61931"	880.303271	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H+NH4"	16.019271
"496139"	1312.445271	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H+NH4"	16.019271
"877350"	448.161271	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H+NH4"	16.019271
"42940"	885.258666	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H+Na"	20.974666
"480312"	1317.400666	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H+Na"	20.974666
"858115"	453.116666	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H+Na"	20.974666
"1621086"	453.116666	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na-2H"	20.974666
"109527"	449.123063	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-H+Cl"	33.962126
"545196"	665.194063	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-H+Cl"	33.962126
"936159"	233.052063	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+Cl"	33.962126
"276902"	899.253402	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Cl"	34.969402
"670420"	1331.395402	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+Cl"	34.969402
"1283921"	467.111402	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl"	34.969402
"30741"	901.232606	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H+K"	36.948606
"468954"	1333.374606	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H+K"	36.948606
"847127"	469.090606	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H+K"	36.948606
"1570254"	469.090606	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+K-2H"	36.948606
"957366"	477.140194	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+HCOOH"	44.998194
"376551"	909.282201	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+HCOOH-H"	44.998201
"360595"	923.297851	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Hac-H"	59.013851
"1504323"	491.155851	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Hac-H"	59.013851
"968583"	499.122151	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+NaCOOH"	66.980151
"118218"	467.111402	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2Cl"	69.938804
"560697"	683.182402	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2Cl"	69.938804
"1033870"	251.040402	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2Cl"	69.938804
"1250533"	511.060885	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Br"	78.918885
"1316627"	513.116872	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl+HCOOH"	80.974872
"1334126"	535.098829	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl+NaCOOH"	102.956829
"924090"	545.127586	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+CF3COOH"	112.985586
"1299339"	581.104264	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl+CF3COOH"	148.962264
"1382488"	397.129324	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H-2H2O"	-35.012676
"1397918"	415.1393	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H-H2O"	-17.0027
"291404"	865.291276	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H"	1.007276
"690389"	1297.433276	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H"	1.007276
"1366136"	433.149276	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H"	1.007276
"139627"	433.149276	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2H"	2.014552
"573718"	649.220276	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2H"	2.014552
"1046892"	217.078276	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2H"	2.014552
"210416"	289.101942666667	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+3H"	3.021828
"649978"	433.149276	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+3H"	3.021828
"1175770"	145.054609333333	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+3H"	3.021828
"432490"	882.317823	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+NH4"	18.033823
"789112"	1314.459823	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+NH4"	18.033823
"1687629"	450.175823	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+NH4"	18.033823
"335907"	441.6625495	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H+NH4"	19.041099
"725049"	657.7335495	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H+NH4"	19.041099
"1477895"	225.5915495	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+NH4"	19.041099
"395360"	887.273218	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Na"	22.989218
"755384"	1319.415218	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+Na"	22.989218
"1605548"	455.131218	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na"	22.989218
"321052"	444.140247	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H+Na"	23.996494
"710193"	660.211247	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H+Na"	23.996494
"1464013"	228.069247	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+Na"	23.996494
"1060539"	152.381923333333	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2H+Na"	25.00377
"1268777"	465.175486	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+CH3OH+H"	33.033486
"390269"	903.247158	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+K"	38.963158
"750531"	1335.389158	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+K"	38.963158
"1551491"	471.105158	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+K"	38.963158
"305386"	452.127217	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H+K"	39.970434
"697806"	668.198217	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H+K"	39.970434
"1452722"	236.056217	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+K"	39.970434
"250563"	906.317826	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+ACN+H"	42.033826
"1224856"	474.175826	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+ACN+H"	42.033826
"1207647"	237.591551	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+ACN+2H"	43.041102
"203681"	909.25516	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2Na-H"	44.97116
"641292"	1341.39716	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2Na-H"	44.97116
"1143703"	477.11316	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2Na-H"	44.97116
"184441"	455.131218	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2Na"	45.978436
"625946"	671.202218	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2Na"	45.978436
"1123497"	239.060218	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2Na"	45.978436
"1409208"	159.709237333333	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+2Na"	46.985712
"1435854"	479.154746	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+HCOOH"	47.012746
"231745"	460.16424	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+3H2O+2H"	56.04448
"1519078"	493.20679	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+IsoProp+H"	61.06479
"419857"	463.118188	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Na+K"	61.952376
"777571"	679.189188	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+Na+K"	61.952376
"1669528"	247.047188	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na+K"	61.952376
"265904"	928.299768	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+ACN+Na"	64.015768
"1237512"	496.157768	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+ACN+Na"	64.015768
"1728038"	496.181293	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+NH4+HCOOH"	64.039293
"1191037"	167.036551333333	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+3Na"	68.967654
"1662387"	501.136688	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na+HCOOH"	68.994688
"169613"	941.20304	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2K-H"	76.91904
"609903"	1373.34504	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2K-H"	76.91904
"1096595"	509.06104	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2K-H"	76.91904
"153773"	471.105158	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2K"	77.926316
"593705"	687.176158	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2K"	77.926316
"1078580"	255.034158	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2K"	77.926316
"1112158"	511.075592	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2K+H"	78.933592
"1348553"	511.163207	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+DMSO+H"	79.021207
"1015988"	515.202376	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2ACN+H"	83.060376
"1538854"	516.196008	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+IsoProp+Na+H"	84.054008
"995093"	258.104826	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2ACN+2H"	84.067652
"1591784"	517.110628	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+K+HCOOH"	84.968628
"1426191"	547.142138	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+CF3COOH"	115.000138
"1159759"	278.618101	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+3ACN+2H"	125.094202
"1709309"	564.168685	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+NH4+CF3COOH"	132.026685
"1648236"	569.12408	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na+CF3COOH"	136.98208
"1582792"	585.09802	"C14942"	"2-(245-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+K+CF3COOH"	152.95602
"813159"	402.1315	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M"	0
"983411"	383.11311	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H2O-H"	-19.01839
"75664"	267.080390666667	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-3H"	-3.021828
"513401"	401.124224	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-3H"	-3.021828
"881362"	133.036557333333	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-3H"	-3.021828
"10873"	401.124224	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H"	-2.014552
"455188"	602.189974	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H"	-2.014552
"831897"	200.058474	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H"	-2.014552
"94038"	803.255724	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-H"	-1.007276
"532904"	1205.387224	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-H"	-1.007276
"909851"	401.124224	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H"	-1.007276
"62162"	820.282271	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H+NH4"	16.019271
"501964"	1222.413771	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H+NH4"	16.019271
"879042"	418.150771	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H+NH4"	16.019271
"39771"	825.237666	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H+Na"	20.974666
"483703"	1227.369166	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H+Na"	20.974666
"858225"	423.106166	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H+Na"	20.974666
"1622289"	423.106166	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na-2H"	20.974666
"109158"	419.112563	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-H+Cl"	33.962126
"546034"	620.178313	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-H+Cl"	33.962126
"935176"	218.046813	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+Cl"	33.962126
"275919"	839.232402	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Cl"	34.969402
"663967"	1241.363902	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+Cl"	34.969402
"1286828"	437.100902	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl"	34.969402
"30358"	841.211606	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H+K"	36.948606
"470159"	1243.343106	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H+K"	36.948606
"845050"	439.080106	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H+K"	36.948606
"1569998"	439.080106	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K-2H"	36.948606
"954236"	447.129694	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+HCOOH"	44.998194
"375728"	849.261201	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+HCOOH-H"	44.998201
"360340"	863.276851	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Hac-H"	59.013851
"1504433"	461.145351	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Hac-H"	59.013851
"969057"	469.111651	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+NaCOOH"	66.980151
"121975"	437.100902	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2Cl"	69.938804
"560077"	638.166652	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2Cl"	69.938804
"1033980"	236.035152	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2Cl"	69.938804
"1250643"	481.050385	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Br"	78.918885
"1317101"	483.106372	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl+HCOOH"	80.974872
"1329493"	505.088329	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl+NaCOOH"	102.956829
"922741"	515.117086	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+CF3COOH"	112.985586
"1302731"	551.093764	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl+CF3COOH"	148.962264
"1382354"	367.118824	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H-2H2O"	-35.012676
"1398229"	385.1288	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H-H2O"	-17.0027
"291514"	805.270276	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H"	1.007276
"691278"	1207.401776	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H"	1.007276
"1366487"	403.138776	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H"	1.007276
"138644"	403.138776	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2H"	2.014552
"574921"	604.204526	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2H"	2.014552
"1050282"	202.073026	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2H"	2.014552
"209433"	269.094942666667	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+3H"	3.021828
"648995"	403.138776	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+3H"	3.021828
"1175883"	135.051109333333	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+3H"	3.021828
"433694"	822.296823	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+NH4"	18.033823
"792503"	1224.428323	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+NH4"	18.033823
"1688832"	420.165323	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+NH4"	18.033823
"333831"	411.6520495	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H+NH4"	19.041099
"724792"	612.7177995	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H+NH4"	19.041099
"1478612"	210.5862995	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+NH4"	19.041099
"397656"	827.252218	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Na"	22.989218
"755372"	1229.383718	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+Na"	22.989218
"1603592"	425.120718	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na"	22.989218
"321163"	414.129747	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H+Na"	23.996494
"712490"	615.195497	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H+Na"	23.996494
"1467404"	213.063997	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+Na"	23.996494
"1062837"	142.378423333333	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2H+Na"	25.00377
"1269980"	435.164986	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+CH3OH+H"	33.033486
"388559"	843.226158	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+K"	38.963158
"750641"	1245.357658	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+K"	38.963158
"1551601"	441.094658	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K"	38.963158
"304403"	422.116717	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H+K"	39.970434
"696823"	623.182467	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H+K"	39.970434
"1448459"	221.050967	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+K"	39.970434
"250796"	846.296826	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+ACN+H"	42.033826
"1224356"	444.165326	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+ACN+H"	42.033826
"1206789"	222.586301	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+ACN+2H"	43.041102
"202577"	849.23416	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2Na-H"	44.97116
"641402"	1251.36566	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2Na-H"	44.97116
"1143449"	447.10266	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2Na-H"	44.97116
"184551"	425.120718	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2Na"	45.978436
"620101"	626.186468	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2Na"	45.978436
"1123607"	224.054968	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2Na"	45.978436
"1409318"	149.705737333333	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+2Na"	46.985712
"1435964"	449.144246	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+HCOOH"	47.012746
"230034"	430.15374	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+3H2O+2H"	56.04448
"1517002"	463.19629	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+IsoProp+H"	61.06479
"421427"	433.107688	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Na+K"	61.952376
"777681"	634.173438	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+Na+K"	61.952376
"1669638"	232.041938	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na+K"	61.952376
"266499"	868.278768	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+ACN+Na"	64.015768
"1236529"	466.147268	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+ACN+Na"	64.015768
"1728108"	466.170793	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+NH4+HCOOH"	64.039293
"1192486"	157.033051333333	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+3Na"	68.967654
"1663227"	471.126188	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na+HCOOH"	68.994688
"168993"	881.18204	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2K-H"	76.91904
"611105"	1283.31354	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2K-H"	76.91904
"1095976"	479.05054	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2K-H"	76.91904
"150603"	441.094658	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2K"	77.926316
"593086"	642.160408	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2K"	77.926316
"1079054"	240.028908	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2K"	77.926316
"1113725"	481.065092	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2K+H"	78.933592
"1346827"	481.152707	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+DMSO+H"	79.021207
"1019379"	485.191876	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2ACN+H"	83.060376
"1539572"	486.185508	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+IsoProp+Na+H"	84.054008
"996296"	243.099576	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2ACN+2H"	84.067652
"1592985"	487.100128	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K+HCOOH"	84.968628
"1423020"	517.131638	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+CF3COOH"	115.000138
"1159868"	263.612851	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+3ACN+2H"	125.094202
"1711607"	534.158185	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+NH4+CF3COOH"	132.026685
"1649318"	539.11358	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na+CF3COOH"	136.98208
"1582902"	555.08752	"C14943"	"2-(25-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K+CF3COOH"	152.95602
"809989"	402.1315	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M"	0
"983521"	383.11311	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H2O-H"	-19.01839
"69577"	267.080390666667	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-3H"	-3.021828
"513511"	401.124224	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-3H"	-3.021828
"884752"	133.036557333333	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-3H"	-3.021828
"10983"	401.124224	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H"	-2.014552
"454444"	602.189974	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H"	-2.014552
"832571"	200.058474	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H"	-2.014552
"92725"	803.255724	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-H"	-1.007276
"533824"	1205.387224	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-H"	-1.007276
"910083"	401.124224	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H"	-1.007276
"61664"	820.282271	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H+NH4"	16.019271
"502074"	1222.413771	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H+NH4"	16.019271
"875259"	418.150771	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H+NH4"	16.019271
"39881"	825.237666	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H+Na"	20.974666
"485636"	1227.369166	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H+Na"	20.974666
"855055"	423.106166	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H+Na"	20.974666
"1621305"	423.106166	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na-2H"	20.974666
"109588"	419.112563	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-H+Cl"	33.962126
"545780"	620.178313	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-H+Cl"	33.962126
"935286"	218.046813	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+Cl"	33.962126
"276029"	839.232402	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Cl"	34.969402
"665170"	1241.363902	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+Cl"	34.969402
"1286695"	437.100902	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl"	34.969402
"30711"	841.211606	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M-2H+K"	36.948606
"469176"	1243.343106	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M-2H+K"	36.948606
"846619"	439.080106	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-2H+K"	36.948606
"1569744"	439.080106	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K-2H"	36.948606
"954346"	447.129694	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+HCOOH"	44.998194
"374383"	849.261201	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+HCOOH-H"	44.998201
"359358"	863.276851	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Hac-H"	59.013851
"1504543"	461.145351	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Hac-H"	59.013851
"968438"	469.111651	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+NaCOOH"	66.980151
"122449"	437.100902	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2Cl"	69.938804
"559094"	638.166652	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2Cl"	69.938804
"1032997"	236.035152	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2Cl"	69.938804
"1253669"	481.050385	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Br"	78.918885
"1316482"	483.106372	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl+HCOOH"	80.974872
"1329603"	505.088329	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl+NaCOOH"	102.956829
"923945"	515.117086	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M-H+CF3COOH"	112.985586
"1301747"	551.093764	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Cl+CF3COOH"	148.962264
"1381006"	367.118824	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H-2H2O"	-35.012676
"1397043"	385.1288	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H-H2O"	-17.0027
"291624"	805.270276	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H"	1.007276
"691332"	1207.401776	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H"	1.007276
"1366922"	403.138776	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H"	1.007276
"138755"	403.138776	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2H"	2.014552
"570658"	604.204526	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2H"	2.014552
"1049300"	202.073026	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2H"	2.014552
"209543"	269.094942666667	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+3H"	3.021828
"650199"	403.138776	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+3H"	3.021828
"1177574"	135.051109333333	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+3H"	3.021828
"435990"	822.296823	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+NH4"	18.033823
"794800"	1224.428323	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+NH4"	18.033823
"1688943"	420.165323	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+NH4"	18.033823
"332846"	411.6520495	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H+NH4"	19.041099
"725632"	612.7177995	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H+NH4"	19.041099
"1479086"	210.5862995	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+NH4"	19.041099
"396673"	827.252218	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Na"	22.989218
"755482"	1229.383718	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+Na"	22.989218
"1604674"	425.120718	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na"	22.989218
"322366"	414.129747	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H+Na"	23.996494
"712601"	615.195497	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H+Na"	23.996494
"1466422"	213.063997	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+Na"	23.996494
"1062948"	142.378423333333	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2H+Na"	25.00377
"1270457"	435.164986	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+CH3OH+H"	33.033486
"390128"	843.226158	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+K"	38.963158
"752577"	1245.357658	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+K"	38.963158
"1552804"	441.094658	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K"	38.963158
"305606"	422.116717	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+H+K"	39.970434
"695840"	623.182467	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+H+K"	39.970434
"1454037"	221.050967	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+K"	39.970434
"249205"	846.296826	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+ACN+H"	42.033826
"1225198"	444.165326	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+ACN+H"	42.033826
"1208235"	222.586301	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+ACN+2H"	43.041102
"203418"	849.23416	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2Na-H"	44.97116
"643217"	1251.36566	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2Na-H"	44.97116
"1145750"	447.10266	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2Na-H"	44.97116
"183568"	425.120718	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2Na"	45.978436
"623491"	626.186468	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2Na"	45.978436
"1121530"	224.054968	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2Na"	45.978436
"1405053"	149.705737333333	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+2Na"	46.985712
"1434981"	449.144246	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+HCOOH"	47.012746
"231236"	430.15374	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+3H2O+2H"	56.04448
"1519298"	463.19629	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+IsoProp+H"	61.06479
"420077"	433.107688	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+Na+K"	61.952376
"777791"	634.173438	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+Na+K"	61.952376
"1669748"	232.041938	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na+K"	61.952376
"266731"	868.278768	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+ACN+Na"	64.015768
"1236639"	466.147268	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+ACN+Na"	64.015768
"1727974"	466.170793	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+NH4+HCOOH"	64.039293
"1192597"	157.033051333333	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+3Na"	68.967654
"1662973"	471.126188	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na+HCOOH"	68.994688
"168011"	881.18204	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2K-H"	76.91904
"610485"	1283.31354	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2K-H"	76.91904
"1094993"	479.05054	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2K-H"	76.91904
"148525"	441.094658	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"2M+2K"	77.926316
"593925"	642.160408	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"3M+2K"	77.926316
"1079165"	240.028908	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2K"	77.926316
"1112742"	481.065092	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2K+H"	78.933592
"1345844"	481.152707	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+DMSO+H"	79.021207
"1020341"	485.191876	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2ACN+H"	83.060376
"1538957"	486.185508	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+IsoProp+Na+H"	84.054008
"999687"	243.099576	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+2ACN+2H"	84.067652
"1590910"	487.100128	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K+HCOOH"	84.968628
"1423130"	517.131638	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+H+CF3COOH"	115.000138
"1159980"	263.612851	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+3ACN+2H"	125.094202
"1710989"	534.158185	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+NH4+CF3COOH"	132.026685
"1649713"	539.11358	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+Na+CF3COOH"	136.98208
"1583012"	555.08752	"C14944"	"2-(35-Dimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O8"	"402.1315"	"M+K+CF3COOH"	152.95602
"810099"	318.2195	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M"	0
"980351"	299.20111	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"66407"	211.139057333333	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"507061"	317.212224	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"883765"	105.065890666667	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"11093"	317.212224	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"450656"	476.321974	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"832114"	158.102474	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"93200"	635.431724	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"533730"	953.651224	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"910640"	317.212224	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"62752"	652.458271	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"502064"	970.677771	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"877557"	334.238771	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"45457"	657.413666	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"483922"	975.633166	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"855164"	339.194166	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1622509"	339.194166	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"109413"	335.200563	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"545890"	494.310313	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"935396"	176.090813	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"271766"	671.408402	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"664187"	989.627902	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1288373"	353.188902	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"30701"	673.387606	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"467460"	991.607106	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"839794"	355.168106	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1569855"	355.168106	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"955549"	363.217694	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"375588"	681.437201	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"360198"	695.452851	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1504289"	377.233351	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"968548"	385.199651	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"122195"	353.188902	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"558111"	512.298652	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1033471"	194.079152	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1250863"	397.138385	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1317321"	399.194372	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1327527"	421.176329	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"920773"	431.205086	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1301858"	467.181764	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1380021"	283.206824	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1396424"	301.2168	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"290641"	637.446276	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"691253"	955.665776	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1366669"	319.226776	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"140323"	319.226776	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"569675"	478.336526	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1049410"	160.117026	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"209653"	213.153609333333	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"645201"	319.226776	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1176832"	107.080442666667	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"436101"	654.472823	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"796002"	972.692323	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1690149"	336.253323	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"337332"	327.7400495	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"724647"	486.8497995	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1480656"	168.6302995	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"396785"	659.428218	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"758873"	977.647718	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1606971"	341.208718	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"320290"	330.217747	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"712712"	489.327497	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1465438"	171.107997	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1064151"	114.407756666667	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1268014"	351.252986	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"389873"	675.402158	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"750500"	993.621658	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1552914"	357.182658	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"305716"	338.204717	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"695950"	497.314467	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1454147"	179.094967	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"250408"	678.472826	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1224455"	360.253326	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1208099"	180.630301	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"203154"	681.41016	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"643444"	999.62966	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1140388"	363.19066	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"181855"	341.208718	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"618133"	500.318468	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1122731"	182.098968	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1407347"	121.735070666667	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1438370"	365.232246	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"229158"	346.24174	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1515033"	379.28429	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"413626"	349.195688	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"774619"	508.305438	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1667305"	190.085938	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"266922"	700.454768	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1236749"	382.235268	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1727594"	382.258793	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1193314"	129.062384666667	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1662354"	387.214188	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"168849"	713.35804	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"610957"	1031.57754	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1094010"	395.13854	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"149728"	357.182658	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"593306"	516.292408	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1079639"	198.072908	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1113216"	397.153092	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1345954"	397.240707	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1021336"	401.279876	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1539803"	402.273508	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1000891"	201.143576	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1592114"	403.188128	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1423240"	433.219638	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1161183"	221.656851	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1710732"	450.246185	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1649541"	455.20158	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1583122"	471.17552	"C14945"	"3-Methoxy-16-methyl-estra-25(10)-diene-16beta17beta-diol"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"813489"	316.1675	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M"	0
"983741"	297.14911	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-H2O-H"	-19.01839
"67610"	209.771057333333	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M-3H"	-3.021828
"508264"	315.160224	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M-3H"	-3.021828
"882782"	104.381890666667	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-3H"	-3.021828
"12662"	315.160224	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M-2H"	-2.014552
"453682"	473.243974	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M-2H"	-2.014552
"832392"	157.076474	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-2H"	-2.014552
"93963"	631.327724	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M-H"	-1.007276
"534089"	947.495224	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M-H"	-1.007276
"910789"	315.160224	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-H"	-1.007276
"62711"	648.354271	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M-2H+NH4"	16.019271
"502621"	964.521771	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M-2H+NH4"	16.019271
"878393"	332.186771	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-2H+NH4"	16.019271
"45566"	653.309666	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M-2H+Na"	20.974666
"486546"	969.477166	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M-2H+Na"	20.974666
"855274"	337.142166	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-2H+Na"	20.974666
"1623714"	337.142166	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Na-2H"	20.974666
"108628"	333.148563	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M-H+Cl"	33.962126
"547459"	491.232313	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M-H+Cl"	33.962126
"931132"	175.064813	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-H+Cl"	33.962126
"270782"	667.304402	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+Cl"	34.969402
"664297"	983.471902	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+Cl"	34.969402
"1287398"	351.136902	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Cl"	34.969402
"31051"	669.283606	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M-2H+K"	36.948606
"467570"	985.451106	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M-2H+K"	36.948606
"839904"	353.116106	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-2H+K"	36.948606
"1570330"	353.116106	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+K-2H"	36.948606
"955659"	361.165694	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-H+HCOOH"	44.998194
"374968"	677.333201	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+HCOOH-H"	44.998201
"359945"	691.348851	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+Hac-H"	59.013851
"1508046"	375.181351	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Hac-H"	59.013851
"971210"	383.147651	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-H+NaCOOH"	66.980151
"123398"	351.136902	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+2Cl"	69.938804
"564055"	509.220652	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+2Cl"	69.938804
"1034310"	193.053152	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2Cl"	69.938804
"1256766"	395.086385	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Br"	78.918885
"1318888"	397.142372	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Cl+HCOOH"	80.974872
"1328730"	419.124329	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Cl+NaCOOH"	102.956829
"921976"	429.153086	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M-H+CF3COOH"	112.985586
"1303670"	465.129764	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Cl+CF3COOH"	148.962264
"1381953"	281.154824	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H-2H2O"	-35.012676
"1397265"	299.1648	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H-H2O"	-17.0027
"288564"	633.342276	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+H"	1.007276
"691234"	949.509776	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+H"	1.007276
"1366580"	317.174776	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H"	1.007276
"141403"	317.174776	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+2H"	2.014552
"574158"	475.258526	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+2H"	2.014552
"1049520"	159.091026	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2H"	2.014552
"210857"	211.785609333333	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+3H"	3.021828
"646041"	317.174776	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+3H"	3.021828
"1177550"	106.396442666667	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+3H"	3.021828
"437304"	650.368823	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+NH4"	18.033823
"799392"	966.536323	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+NH4"	18.033823
"1694630"	334.201323	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+NH4"	18.033823
"342908"	325.6880495	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+H+NH4"	19.041099
"725853"	483.7717995	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+H+NH4"	19.041099
"1480400"	167.6042995	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H+NH4"	19.041099
"396895"	655.324218	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+Na"	22.989218
"760076"	971.491718	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+Na"	22.989218
"1610362"	339.156718	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Na"	22.989218
"322586"	328.165747	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+H+Na"	23.996494
"713914"	486.249497	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+H+Na"	23.996494
"1469923"	170.081997	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H+Na"	23.996494
"1064993"	113.723756666667	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2H+Na"	25.00377
"1270312"	349.200986	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+CH3OH+H"	33.033486
"390710"	671.298158	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+K"	38.963158
"753161"	987.465658	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+K"	38.963158
"1553024"	355.130658	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+K"	38.963158
"305826"	336.152717	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+H+K"	39.970434
"696060"	494.236467	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+H+K"	39.970434
"1456443"	178.068967	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H+K"	39.970434
"250968"	674.368826	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+ACN+H"	42.033826
"1225589"	358.201326	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+ACN+H"	42.033826
"1209548"	179.604301	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+ACN+2H"	43.041102
"204260"	677.30616	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+2Na-H"	44.97116
"642459"	993.47366	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+2Na-H"	44.97116
"1146891"	361.13866	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2Na-H"	44.97116
"183788"	339.156718	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+2Na"	45.978436
"626992"	497.240468	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+2Na"	45.978436
"1123935"	181.072968	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2Na"	45.978436
"1407458"	121.051070666667	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H+2Na"	46.985712
"1435200"	363.180246	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H+HCOOH"	47.012746
"225988"	344.18974	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+3H2O+2H"	56.04448
"1514049"	377.23229	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+IsoProp+H"	61.06479
"413006"	347.143688	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+Na+K"	61.952376
"774729"	505.227438	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+Na+K"	61.952376
"1669237"	189.059938	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Na+K"	61.952376
"267106"	696.350768	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+ACN+Na"	64.015768
"1240828"	380.183268	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+ACN+Na"	64.015768
"1727822"	380.206793	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+NH4+HCOOH"	64.039293
"1192571"	128.378384666667	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+3Na"	68.967654
"1662463"	385.162188	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Na+HCOOH"	68.994688
"167865"	709.25404	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+2K-H"	76.91904
"609973"	1025.42154	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+2K-H"	76.91904
"1094119"	393.08654	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2K-H"	76.91904
"146558"	355.130658	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"2M+2K"	77.926316
"592323"	513.214408	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"3M+2K"	77.926316
"1079021"	197.046908	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2K"	77.926316
"1115153"	395.101092	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2K+H"	78.933592
"1346792"	395.188707	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+DMSO+H"	79.021207
"1020444"	399.227876	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2ACN+H"	83.060376
"1539746"	400.221508	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+IsoProp+Na+H"	84.054008
"1003188"	200.117576	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+2ACN+2H"	84.067652
"1597691"	401.136128	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+K+HCOOH"	84.968628
"1428454"	431.167638	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+H+CF3COOH"	115.000138
"1162022"	220.630851	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+3ACN+2H"	125.094202
"1711935"	448.194185	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+NH4+CF3COOH"	132.026685
"1649864"	453.14958	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+Na+CF3COOH"	136.98208
"1583232"	469.12352	"C14946"	"1-Dehydro-15alpha-hydroxytestololactone"	"C19H24O4"	"316.1675"	"M+K+CF3COOH"	152.95602
"813599"	398.2457	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M"	0
"980571"	379.22731	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-H2O-H"	-19.01839
"63345"	264.489857333333	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M-3H"	-3.021828
"505094"	397.238424	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M-3H"	-3.021828
"880462"	131.741290666667	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-3H"	-3.021828
"10585"	397.238424	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H"	-2.014552
"449782"	596.361274	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H"	-2.014552
"832562"	198.115574	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H"	-2.014552
"94207"	795.484124	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M-H"	-1.007276
"533827"	1193.729824	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M-H"	-1.007276
"906037"	397.238424	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-H"	-1.007276
"62360"	812.510671	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H+NH4"	16.019271
"499608"	1210.756371	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H+NH4"	16.019271
"874495"	414.264971	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H+NH4"	16.019271
"44583"	817.466066	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H+Na"	20.974666
"483050"	1215.711766	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H+Na"	20.974666
"855384"	419.220366	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H+Na"	20.974666
"1622731"	419.220366	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na-2H"	20.974666
"108861"	415.226763	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M-H+Cl"	33.962126
"547569"	614.349613	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M-H+Cl"	33.962126
"930149"	216.103913	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+Cl"	33.962126
"270163"	831.460802	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Cl"	34.969402
"661123"	1229.706502	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+Cl"	34.969402
"1282282"	433.215102	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl"	34.969402
"25933"	833.440006	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H+K"	36.948606
"468409"	1231.685706	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H+K"	36.948606
"840014"	435.194306	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H+K"	36.948606
"1568980"	435.194306	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+K-2H"	36.948606
"954310"	443.243894	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+HCOOH"	44.998194
"374712"	841.489601	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+HCOOH-H"	44.998201
"358960"	855.505251	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Hac-H"	59.013851
"1504874"	457.259551	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Hac-H"	59.013851
"968768"	465.225851	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+NaCOOH"	66.980151
"118769"	433.215102	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2Cl"	69.938804
"561248"	632.337952	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2Cl"	69.938804
"1034420"	234.092252	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2Cl"	69.938804
"1252177"	477.164585	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Br"	78.918885
"1311343"	479.220572	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl+HCOOH"	80.974872
"1324464"	501.202529	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl+NaCOOH"	102.956829
"915522"	511.231286	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+CF3COOH"	112.985586
"1289310"	547.207964	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl+CF3COOH"	148.962264
"1379143"	363.233024	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H-2H2O"	-35.012676
"1391171"	381.243	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H-H2O"	-17.0027
"288670"	797.498676	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H"	1.007276
"684376"	1195.744376	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H"	1.007276
"1358535"	399.252976	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H"	1.007276
"139084"	399.252976	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2H"	2.014552
"570988"	598.375826	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2H"	2.014552
"1049630"	200.130126	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2H"	2.014552
"208780"	266.504409333333	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+3H"	3.021828
"644401"	399.252976	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+3H"	3.021828
"1175229"	133.755842666667	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+3H"	3.021828
"433042"	814.525223	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+NH4"	18.033823
"795129"	1212.770923	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+NH4"	18.033823
"1691824"	416.279523	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+NH4"	18.033823
"337553"	407.7662495	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H+NH4"	19.041099
"723408"	606.8890995	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H+NH4"	19.041099
"1479418"	208.6433995	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+NH4"	19.041099
"395547"	819.480618	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Na"	22.989218
"758001"	1217.726318	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+Na"	22.989218
"1608286"	421.234918	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na"	22.989218
"318324"	410.243947	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H+Na"	23.996494
"711837"	609.366797	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H+Na"	23.996494
"1466753"	211.121097	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+Na"	23.996494
"1061090"	141.083156666667	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2H+Na"	25.00377
"1269328"	431.279186	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+CH3OH+H"	33.033486
"389359"	835.454558	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+K"	38.963158
"744520"	1233.700258	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+K"	38.963158
"1553134"	437.208858	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+K"	38.963158
"303747"	418.230917	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H+K"	39.970434
"695074"	617.353767	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H+K"	39.970434
"1455460"	219.108067	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+K"	39.970434
"249170"	838.525226	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+ACN+H"	42.033826
"1224067"	440.279526	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+ACN+H"	42.033826
"1208318"	220.643401	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+ACN+2H"	43.041102
"202281"	841.46256	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2Na-H"	44.97116
"639289"	1239.70826	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2Na-H"	44.97116
"1145711"	443.21686	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2Na-H"	44.97116
"184627"	421.234918	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2Na"	45.978436
"622727"	620.357768	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2Na"	45.978436
"1124045"	222.112068	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2Na"	45.978436
"1404288"	148.410470666667	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+2Na"	46.985712
"1434217"	445.258446	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+HCOOH"	47.012746
"223911"	426.26794	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+3H2O+2H"	56.04448
"1514157"	459.31049	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+IsoProp+H"	61.06479
"413843"	429.221888	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Na+K"	61.952376
"774839"	628.344738	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+Na+K"	61.952376
"1667890"	230.099038	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na+K"	61.952376
"256598"	860.507168	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+ACN+Na"	64.015768
"1240250"	462.261468	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+ACN+Na"	64.015768
"1728384"	462.284993	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+NH4+HCOOH"	64.039293
"1193407"	155.737784666667	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+3Na"	68.967654
"1664392"	467.240388	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na+HCOOH"	68.994688
"169429"	873.41044	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2K-H"	76.91904
"606434"	1271.65614	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2K-H"	76.91904
"1093864"	475.16474	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2K-H"	76.91904
"145575"	437.208858	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2K"	77.926316
"592069"	636.331708	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2K"	77.926316
"1078401"	238.086008	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2K"	77.926316
"1113802"	477.179292	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2K+H"	78.933592
"1346903"	477.266907	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+DMSO+H"	79.021207
"1020918"	481.306076	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2ACN+H"	83.060376
"1539287"	482.299708	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+IsoProp+Na+H"	84.054008
"1002205"	241.156676	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+2ACN+2H"	84.067652
"1598894"	483.214328	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+K+HCOOH"	84.968628
"1429172"	513.245838	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+CF3COOH"	115.000138
"1160310"	261.669951	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+3ACN+2H"	125.094202
"1712537"	530.272385	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+NH4+CF3COOH"	132.026685
"1649515"	535.22778	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na+CF3COOH"	136.98208
"1583342"	551.20172	"C14947"	"17-Propylestra-135(10)-triene-317beta-diol diacetate"	"C25H34O4"	"398.2457"	"M+K+CF3COOH"	152.95602
"813709"	386.1366	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M"	0
"980681"	367.11821	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-H2O-H"	-19.01839
"63819"	256.417124	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M-3H"	-3.021828
"505568"	385.129324	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M-3H"	-3.021828
"881907"	127.704924	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-3H"	-3.021828
"12517"	385.129324	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M-2H"	-2.014552
"450986"	578.197624	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M-2H"	-2.014552
"831346"	192.061024	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-2H"	-2.014552
"94016"	771.265924	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M-H"	-1.007276
"532722"	1157.402524	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M-H"	-1.007276
"908699"	385.129324	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-H"	-1.007276
"60156"	788.292471	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M-2H+NH4"	16.019271
"502272"	1174.429071	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M-2H+NH4"	16.019271
"876670"	402.155871	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-2H+NH4"	16.019271
"45060"	793.247866	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M-2H+Na"	20.974666
"485104"	1179.384466	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M-2H+Na"	20.974666
"855494"	407.111266	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-2H+Na"	20.974666
"1622841"	407.111266	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Na-2H"	20.974666
"102651"	403.117663	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M-H+Cl"	33.962126
"548530"	596.185963	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M-H+Cl"	33.962126
"932445"	210.049363	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-H+Cl"	33.962126
"272459"	807.242602	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+Cl"	34.969402
"661962"	1193.379202	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+Cl"	34.969402
"1282392"	421.106002	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Cl"	34.969402
"27136"	809.221806	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M-2H+K"	36.948606
"465604"	1195.358406	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M-2H+K"	36.948606
"839031"	423.085206	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-2H+K"	36.948606
"1565803"	423.085206	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+K-2H"	36.948606
"956607"	431.134794	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-H+HCOOH"	44.998194
"376524"	817.271401	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+HCOOH-H"	44.998201
"358705"	831.287051	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+Hac-H"	59.013851
"1504984"	445.150451	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Hac-H"	59.013851
"968878"	453.116751	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-H+NaCOOH"	66.980151
"118879"	421.106002	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+2Cl"	69.938804
"563544"	614.174302	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+2Cl"	69.938804
"1035988"	228.037702	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2Cl"	69.938804
"1253380"	465.055485	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Br"	78.918885
"1312546"	467.111472	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Cl+HCOOH"	80.974872
"1324574"	489.093429	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Cl+NaCOOH"	102.956829
"915632"	499.122186	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M-H+CF3COOH"	112.985586
"1291242"	535.098864	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Cl+CF3COOH"	148.962264
"1379253"	351.123924	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H-2H2O"	-35.012676
"1392374"	369.1339	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H-H2O"	-17.0027
"290966"	773.280476	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+H"	1.007276
"684486"	1159.417076	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+H"	1.007276
"1358645"	387.143876	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H"	1.007276
"128985"	387.143876	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+2H"	2.014552
"570002"	580.212176	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+2H"	2.014552
"1039162"	194.075576	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2H"	2.014552
"206694"	258.431676	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+3H"	3.021828
"645895"	387.143876	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+3H"	3.021828
"1167669"	129.719476	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+3H"	3.021828
"433152"	790.307023	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+NH4"	18.033823
"795969"	1176.443623	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+NH4"	18.033823
"1695214"	404.170423	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+NH4"	18.033823
"339847"	395.6571495	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+H+NH4"	19.041099
"724617"	588.7254495	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+H+NH4"	19.041099
"1481717"	202.5888495	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H+NH4"	19.041099
"398210"	795.262418	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+Na"	22.989218
"758111"	1181.399018	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+Na"	22.989218
"1607304"	409.125818	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Na"	22.989218
"319528"	398.134847	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+H+Na"	23.996494
"716323"	591.203147	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+H+Na"	23.996494
"1470143"	205.066547	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H+Na"	23.996494
"1063753"	137.04679	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2H+Na"	25.00377
"1268345"	419.170086	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+CH3OH+H"	33.033486
"389469"	811.236358	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+K"	38.963158
"744630"	1197.372958	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+K"	38.963158
"1552516"	425.099758	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+K"	38.963158
"301671"	406.121817	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+H+K"	39.970434
"694091"	599.190117	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+H+K"	39.970434
"1451195"	213.053517	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H+K"	39.970434
"249645"	814.307026	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+ACN+H"	42.033826
"1224056"	428.170426	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+ACN+H"	42.033826
"1207701"	214.588851	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+ACN+2H"	43.041102
"202881"	817.24436	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+2Na-H"	44.97116
"640491"	1203.38096	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+2Na-H"	44.97116
"1145699"	431.10776	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2Na-H"	44.97116
"186194"	409.125818	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+2Na"	45.978436
"622837"	602.194118	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+2Na"	45.978436
"1125248"	216.057518	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2Na"	45.978436
"1405491"	144.374104	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H+2Na"	46.985712
"1434327"	433.149346	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H+HCOOH"	47.012746
"224021"	414.15884	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+3H2O+2H"	56.04448
"1513174"	447.20139	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+IsoProp+H"	61.06479
"413953"	417.112788	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+Na+K"	61.952376
"776042"	610.181088	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+Na+K"	61.952376
"1669093"	224.044488	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Na+K"	61.952376
"256708"	836.288968	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+ACN+Na"	64.015768
"1237446"	450.152368	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+ACN+Na"	64.015768
"1728042"	450.175893	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+NH4+HCOOH"	64.039293
"1193397"	151.701418	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+3Na"	68.967654
"1660129"	455.131288	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Na+HCOOH"	68.994688
"168447"	849.19224	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+2K-H"	76.91904
"606181"	1235.32884	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+2K-H"	76.91904
"1093246"	463.05564	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2K-H"	76.91904
"142527"	425.099758	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"2M+2K"	77.926316
"592179"	618.168058	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"3M+2K"	77.926316
"1077419"	232.031458	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2K"	77.926316
"1110994"	465.070192	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2K+H"	78.933592
"1347013"	465.157807	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+DMSO+H"	79.021207
"1021193"	469.196976	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2ACN+H"	83.060376
"1538425"	470.190608	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+IsoProp+Na+H"	84.054008
"1003409"	235.102126	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+2ACN+2H"	84.067652
"1601191"	471.105228	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+K+HCOOH"	84.968628
"1429403"	501.136738	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+H+CF3COOH"	115.000138
"1161149"	255.615401	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+3ACN+2H"	125.094202
"1712361"	518.163285	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+NH4+CF3COOH"	132.026685
"1649748"	523.11868	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+Na+CF3COOH"	136.98208
"1583452"	539.09262	"C14948"	"2-(4-Ethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H22O7"	"386.1366"	"M+K+CF3COOH"	152.95602
"813819"	367.0167	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M"	0
"980791"	347.99831	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H2O-H"	-19.01839
"64658"	243.670524	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-3H"	-3.021828
"507501"	366.009424	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-3H"	-3.021828
"881411"	121.331624	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-3H"	-3.021828
"14449"	366.009424	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H"	-2.014552
"452189"	549.517774	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H"	-2.014552
"827802"	182.501074	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H"	-2.014552
"93921"	733.026124	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-H"	-1.007276
"532586"	1100.042824	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-H"	-1.007276
"910142"	366.009424	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H"	-1.007276
"60263"	750.052671	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H+NH4"	16.019271
"489252"	1117.069371	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H+NH4"	16.019271
"878970"	383.035971	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H+NH4"	16.019271
"40426"	755.008066	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H+Na"	20.974666
"486673"	1122.024766	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H+Na"	20.974666
"855604"	387.991366	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H+Na"	20.974666
"1624044"	387.991366	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na-2H"	20.974666
"99479"	383.997763	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-H+Cl"	33.962126
"541227"	567.506113	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-H+Cl"	33.962126
"931460"	200.489413	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+Cl"	33.962126
"272568"	769.002802	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Cl"	34.969402
"662072"	1136.019502	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+Cl"	34.969402
"1282502"	401.986102	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl"	34.969402
"28339"	770.982006	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H+K"	36.948606
"465712"	1137.998706	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H+K"	36.948606
"840234"	403.965306	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H+K"	36.948606
"1565913"	403.965306	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K-2H"	36.948606
"954892"	412.014894	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+HCOOH"	44.998194
"372748"	779.031601	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+HCOOH-H"	44.998201
"357722"	793.047251	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Hac-H"	59.013851
"1502542"	426.030551	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Hac-H"	59.013851
"965708"	433.996851	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+NaCOOH"	66.980151
"118989"	401.986102	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2Cl"	69.938804
"561833"	585.494452	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2Cl"	69.938804
"1031723"	218.477752	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2Cl"	69.938804
"1252396"	445.935585	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Br"	78.918885
"1308282"	447.991572	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl+HCOOH"	80.974872
"1323225"	469.973529	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl+NaCOOH"	102.956829
"913189"	480.002286	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+CF3COOH"	112.985586
"1290989"	515.978964	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl+CF3COOH"	148.962264
"1380456"	332.004024	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H-2H2O"	-35.012676
"1392484"	350.014	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H-H2O"	-17.0027
"288160"	735.040676	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H"	1.007276
"684594"	1102.057376	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H"	1.007276
"1355108"	368.023976	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H"	1.007276
"132738"	368.023976	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2H"	2.014552
"572297"	551.532326	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2H"	2.014552
"1038543"	184.515626	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2H"	2.014552
"204739"	245.685076	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+3H"	3.021828
"646734"	368.023976	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+3H"	3.021828
"1167779"	123.346176	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+3H"	3.021828
"436180"	752.067223	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+NH4"	18.033823
"797539"	1119.083923	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+NH4"	18.033823
"1691681"	385.050523	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+NH4"	18.033823
"341050"	376.5372495	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H+NH4"	19.041099
"725821"	560.0455995	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H+NH4"	19.041099
"1480735"	193.0288995	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+NH4"	19.041099
"398320"	757.022618	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Na"	22.989218
"760409"	1124.039318	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+Na"	22.989218
"1607414"	390.005918	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na"	22.989218
"324012"	379.014947	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H+Na"	23.996494
"717527"	562.523297	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H+Na"	23.996494
"1470984"	195.506597	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+Na"	23.996494
"1063499"	130.67349	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2H+Na"	25.00377
"1268455"	400.050186	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+CH3OH+H"	33.033486
"389215"	772.996558	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+K"	38.963158
"744740"	1140.013258	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+K"	38.963158
"1552261"	405.979858	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K"	38.963158
"300809"	387.001917	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H+K"	39.970434
"694201"	570.510267	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H+K"	39.970434
"1451305"	203.493567	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+K"	39.970434
"248661"	776.067226	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+ACN+H"	42.033826
"1224166"	409.050526	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+ACN+H"	42.033826
"1208177"	205.028901	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+ACN+2H"	43.041102
"203355"	779.00456	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2Na-H"	44.97116
"640601"	1146.02126	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2Na-H"	44.97116
"1146295"	411.98786	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2Na-H"	44.97116
"185940"	390.005918	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2Na"	45.978436
"624040"	573.514268	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2Na"	45.978436
"1126451"	206.497568	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2Na"	45.978436
"1406694"	138.000804	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+2Na"	46.985712
"1437717"	414.029446	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+HCOOH"	47.012746
"227412"	395.03894	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+3H2O+2H"	56.04448
"1514377"	428.08149	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+IsoProp+H"	61.06479
"415156"	397.992888	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Na+K"	61.952376
"777245"	581.501238	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+Na+K"	61.952376
"1674670"	214.484538	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na+K"	61.952376
"259004"	798.049168	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+ACN+Na"	64.015768
"1231713"	431.032468	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+ACN+Na"	64.015768
"1724988"	431.055993	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+NH4+HCOOH"	64.039293
"1191441"	145.328118	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+3Na"	68.967654
"1660967"	436.011388	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na+HCOOH"	68.994688
"169285"	810.95244	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2K-H"	76.91904
"605926"	1177.96914	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2K-H"	76.91904
"1093356"	443.93574	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2K-H"	76.91904
"142392"	405.979858	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2K"	77.926316
"592289"	589.488208	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2K"	77.926316
"1078622"	222.471508	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2K"	77.926316
"1110737"	445.950292	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2K+H"	78.933592
"1344933"	446.037907	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+DMSO+H"	79.021207
"1019671"	450.077076	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2ACN+H"	83.060376
"1539846"	451.070708	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+IsoProp+Na+H"	84.054008
"1002423"	225.542176	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2ACN+2H"	84.067652
"1599114"	451.985328	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K+HCOOH"	84.968628
"1429636"	482.016838	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+CF3COOH"	115.000138
"1161988"	246.055451	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+3ACN+2H"	125.094202
"1712143"	499.043385	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+NH4+CF3COOH"	132.026685
"1648640"	503.99878	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na+CF3COOH"	136.98208
"1583562"	519.97272	"C14949"	"3-(26-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K+CF3COOH"	152.95602
"815023"	367.0167	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M"	0
"984181"	347.99831	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H2O-H"	-19.01839
"70237"	243.670524	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-3H"	-3.021828
"510891"	366.009424	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-3H"	-3.021828
"880791"	121.331624	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-3H"	-3.021828
"705"	366.009424	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H"	-2.014552
"450109"	549.517774	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H"	-2.014552
"830100"	182.501074	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H"	-2.014552
"94269"	733.026124	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-H"	-1.007276
"533912"	1100.042824	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-H"	-1.007276
"910253"	366.009424	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H"	-1.007276
"60373"	750.052671	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H+NH4"	16.019271
"494830"	1117.069371	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H+NH4"	16.019271
"879651"	383.035971	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H+NH4"	16.019271
"40536"	755.008066	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H+Na"	20.974666
"486906"	1122.024766	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H+Na"	20.974666
"855714"	387.991366	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H+Na"	20.974666
"1624154"	387.991366	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na-2H"	20.974666
"100317"	383.997763	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-H+Cl"	33.962126
"540244"	567.506113	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-H+Cl"	33.962126
"937040"	200.489413	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+Cl"	33.962126
"272679"	769.002802	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Cl"	34.969402
"663276"	1136.019502	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+Cl"	34.969402
"1283705"	401.986102	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl"	34.969402
"28449"	770.982006	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M-2H+K"	36.948606
"465822"	1137.998706	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M-2H+K"	36.948606
"840344"	403.965306	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-2H+K"	36.948606
"1570642"	403.965306	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K-2H"	36.948606
"955731"	412.014894	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+HCOOH"	44.998194
"372130"	779.031601	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+HCOOH-H"	44.998201
"357103"	793.047251	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Hac-H"	59.013851
"1502652"	426.030551	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Hac-H"	59.013851
"963631"	433.996851	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+NaCOOH"	66.980151
"115819"	401.986102	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2Cl"	69.938804
"563764"	585.494452	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2Cl"	69.938804
"1031833"	218.477752	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2Cl"	69.938804
"1252506"	445.935585	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Br"	78.918885
"1308392"	447.991572	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl+HCOOH"	80.974872
"1322607"	469.973529	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl+NaCOOH"	102.956829
"914392"	480.002286	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M-H+CF3COOH"	112.985586
"1290735"	515.978964	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Cl+CF3COOH"	148.962264
"1380566"	332.004024	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H-2H2O"	-35.012676
"1396603"	350.014	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H-H2O"	-17.0027
"291186"	735.040676	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H"	1.007276
"681423"	1102.057376	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H"	1.007276
"1354489"	368.023976	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H"	1.007276
"130660"	368.023976	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2H"	2.014552
"573500"	551.532326	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2H"	2.014552
"1037922"	184.515626	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2H"	2.014552
"204483"	245.685076	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+3H"	3.021828
"646115"	368.023976	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+3H"	3.021828
"1166794"	123.346176	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+3H"	3.021828
"438110"	752.067223	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+NH4"	18.033823
"797650"	1119.083923	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+NH4"	18.033823
"1695071"	385.050523	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+NH4"	18.033823
"343350"	376.5372495	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H+NH4"	19.041099
"731397"	560.0455995	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H+NH4"	19.041099
"1484125"	193.0288995	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+NH4"	19.041099
"401711"	757.022618	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Na"	22.989218
"761614"	1124.039318	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+Na"	22.989218
"1612991"	390.005918	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na"	22.989218
"324123"	379.014947	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H+Na"	23.996494
"719460"	562.523297	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H+Na"	23.996494
"1474738"	195.506597	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+Na"	23.996494
"1066888"	130.67349	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2H+Na"	25.00377
"1270023"	400.050186	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+CH3OH+H"	33.033486
"391877"	772.996558	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+K"	38.963158
"744850"	1140.013258	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+K"	38.963158
"1553464"	405.979858	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K"	38.963158
"301162"	387.001917	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+H+K"	39.970434
"695403"	570.510267	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+H+K"	39.970434
"1451415"	203.493567	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+K"	39.970434
"249865"	776.067226	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+ACN+H"	42.033826
"1225212"	409.050526	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+ACN+H"	42.033826
"1208286"	205.028901	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+ACN+2H"	43.041102
"202740"	779.00456	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2Na-H"	44.97116
"644126"	1146.02126	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2Na-H"	44.97116
"1146901"	411.98786	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2Na-H"	44.97116
"188003"	390.005918	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2Na"	45.978436
"627309"	573.514268	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2Na"	45.978436
"1125468"	206.497568	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2Na"	45.978436
"1403524"	138.000804	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+2Na"	46.985712
"1434547"	414.029446	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+HCOOH"	47.012746
"225335"	395.03894	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+3H2O+2H"	56.04448
"1511936"	428.08149	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+IsoProp+H"	61.06479
"411986"	397.992888	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+Na+K"	61.952376
"775169"	581.501238	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+Na+K"	61.952376
"1671500"	214.484538	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na+K"	61.952376
"259114"	798.049168	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+ACN+Na"	64.015768
"1229636"	431.032468	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+ACN+Na"	64.015768
"1725098"	431.055993	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+NH4+HCOOH"	64.039293
"1190458"	145.328118	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+3Na"	68.967654
"1661078"	436.011388	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na+HCOOH"	68.994688
"167572"	810.95244	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2K-H"	76.91904
"606766"	1177.96914	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2K-H"	76.91904
"1093467"	443.93574	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2K-H"	76.91904
"147000"	405.979858	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"2M+2K"	77.926316
"590576"	589.488208	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"3M+2K"	77.926316
"1079461"	222.471508	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2K"	77.926316
"1111215"	445.950292	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2K+H"	78.933592
"1348325"	446.037907	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+DMSO+H"	79.021207
"1017593"	450.077076	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2ACN+H"	83.060376
"1539259"	451.070708	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+IsoProp+Na+H"	84.054008
"1005498"	225.542176	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+2ACN+2H"	84.067652
"1602020"	451.985328	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K+HCOOH"	84.968628
"1428528"	482.016838	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+H+CF3COOH"	115.000138
"1162461"	246.055451	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+3ACN+2H"	125.094202
"1710187"	499.043385	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+NH4+CF3COOH"	132.026685
"1645834"	503.99878	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+Na+CF3COOH"	136.98208
"1583672"	519.97272	"C14950"	"3-(24-Dichlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H11Cl2NO2"	"367.0167"	"M+K+CF3COOH"	152.95602
"812947"	333.0557	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M"	0
"984291"	314.03731	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-H2O-H"	-19.01839
"63096"	221.029857333333	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M-3H"	-3.021828
"509907"	332.048424	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M-3H"	-3.021828
"880417"	110.011290666667	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-3H"	-3.021828
"204"	332.048424	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M-2H"	-2.014552
"450219"	498.576274	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M-2H"	-2.014552
"831550"	165.520574	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-2H"	-2.014552
"93245"	665.104124	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M-H"	-1.007276
"530861"	998.159824	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M-H"	-1.007276
"908660"	332.048424	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-H"	-1.007276
"57567"	682.130671	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M-2H+NH4"	16.019271
"491660"	1015.186371	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M-2H+NH4"	16.019271
"878457"	349.074971	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-2H+NH4"	16.019271
"43926"	687.086066	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M-2H+Na"	20.974666
"481301"	1020.141766	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M-2H+Na"	20.974666
"855824"	354.030366	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-2H+Na"	20.974666
"1623171"	354.030366	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Na-2H"	20.974666
"99333"	350.036763	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M-H+Cl"	33.962126
"540354"	516.564613	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M-H+Cl"	33.962126
"937150"	183.508913	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-H+Cl"	33.962126
"272425"	701.080802	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+Cl"	34.969402
"663387"	1034.136502	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+Cl"	34.969402
"1280533"	368.025102	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Cl"	34.969402
"24184"	703.060006	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M-2H+K"	36.948606
"464839"	1036.115706	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M-2H+K"	36.948606
"840454"	370.004306	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-2H+K"	36.948606
"1569780"	370.004306	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+K-2H"	36.948606
"956206"	378.053894	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-H+HCOOH"	44.998194
"373333"	711.109601	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+HCOOH-H"	44.998201
"357213"	725.125251	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+Hac-H"	59.013851
"1502762"	392.069551	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Hac-H"	59.013851
"963741"	400.035851	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-H+NaCOOH"	66.980151
"115929"	368.025102	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+2Cl"	69.938804
"563874"	534.552952	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+2Cl"	69.938804
"1031943"	201.497252	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2Cl"	69.938804
"1252616"	411.974585	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Br"	78.918885
"1308502"	414.030572	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Cl+HCOOH"	80.974872
"1323810"	436.012529	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Cl+NaCOOH"	102.956829
"914138"	446.041286	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M-H+CF3COOH"	112.985586
"1289752"	482.017964	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Cl+CF3COOH"	148.962264
"1381769"	298.043024	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H-2H2O"	-35.012676
"1396713"	316.053	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H-H2O"	-17.0027
"293483"	667.118676	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+H"	1.007276
"680440"	1000.174376	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+H"	1.007276
"1354599"	334.062976	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H"	1.007276
"132956"	334.062976	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+2H"	2.014552
"572517"	500.590826	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+2H"	2.014552
"1041313"	167.535126	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2H"	2.014552
"207026"	223.044409333333	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+3H"	3.021828
"647682"	334.062976	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+3H"	3.021828
"1167997"	112.025842666667	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+3H"	3.021828
"434940"	684.145223	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+NH4"	18.033823
"795570"	1017.200923	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+NH4"	18.033823
"1694088"	351.089523	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+NH4"	18.033823
"339086"	342.5762495	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+H+NH4"	19.041099
"731507"	509.1040995	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+H+NH4"	19.041099
"1487516"	176.0483995	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H+NH4"	19.041099
"400727"	689.100618	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+Na"	22.989218
"761722"	1022.156318	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+Na"	22.989218
"1610915"	356.044918	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Na"	22.989218
"325325"	345.053947	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+H+Na"	23.996494
"717748"	511.581797	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+H+Na"	23.996494
"1472662"	178.526097	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H+Na"	23.996494
"1066635"	119.353156666667	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2H+Na"	25.00377
"1268675"	366.089186	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+CH3OH+H"	33.033486
"390893"	705.074558	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+K"	38.963158
"751521"	1038.130258	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+K"	38.963158
"1547014"	372.018858	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+K"	38.963158
"301271"	353.040917	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+H+K"	39.970434
"694420"	519.568767	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+H+K"	39.970434
"1451525"	186.513067	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H+K"	39.970434
"250946"	708.145226	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+ACN+H"	42.033826
"1224872"	375.089526	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+ACN+H"	42.033826
"1208640"	188.048401	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+ACN+2H"	43.041102
"203088"	711.08256	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+2Na-H"	44.97116
"643619"	1044.13826	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+2Na-H"	44.97116
"1146155"	378.02686	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2Na-H"	44.97116
"187864"	356.044918	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+2Na"	45.978436
"623166"	522.572768	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+2Na"	45.978436
"1120110"	189.517068	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2Na"	45.978436
"1401445"	126.680470666667	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H+2Na"	46.985712
"1433562"	380.068446	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H+HCOOH"	47.012746
"222163"	361.07794	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+3H2O+2H"	56.04448
"1511315"	394.12049	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+IsoProp+H"	61.06479
"411003"	364.031888	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+Na+K"	61.952376
"771999"	530.559738	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+Na+K"	61.952376
"1668694"	197.504038	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Na+K"	61.952376
"255944"	730.127168	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+ACN+Na"	64.015768
"1228651"	397.071468	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+ACN+Na"	64.015768
"1724112"	397.094993	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+NH4+HCOOH"	64.039293
"1192024"	134.007784666667	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+3Na"	68.967654
"1662644"	402.050388	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Na+HCOOH"	68.994688
"168046"	743.03044	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+2K-H"	76.91904
"604689"	1076.08614	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+2K-H"	76.91904
"1094670"	409.97474	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2K-H"	76.91904
"147110"	372.018858	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"2M+2K"	77.926316
"592508"	538.546708	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"3M+2K"	77.926316
"1079935"	205.491008	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2K"	77.926316
"1110959"	411.989292	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2K+H"	78.933592
"1349529"	412.076907	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+DMSO+H"	79.021207
"1016608"	416.116076	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2ACN+H"	83.060376
"1539235"	417.109708	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+IsoProp+Na+H"	84.054008
"1002644"	208.561676	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+2ACN+2H"	84.067652
"1600791"	418.024328	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+K+HCOOH"	84.968628
"1427544"	448.055838	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+H+CF3COOH"	115.000138
"1160746"	229.074951	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+3ACN+2H"	125.094202
"1710296"	465.082385	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+NH4+CF3COOH"	132.026685
"1645944"	470.03778	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+Na+CF3COOH"	136.98208
"1583782"	486.01172	"C14951"	"3-(2-Chlorobenzylidene)amino-6H-dibenzobdpyran-6-one"	"C20H12ClNO2"	"333.0557"	"M+K+CF3COOH"	152.95602
"815243"	211.0633	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M"	0
"984401"	192.04491	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-H2O-H"	-19.01839
"67175"	139.701590666667	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M-3H"	-3.021828
"511110"	210.056024	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M-3H"	-3.021828
"882349"	69.3471573333333	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-3H"	-3.021828
"925"	210.056024	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M-2H"	-2.014552
"450329"	315.587674	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M-2H"	-2.014552
"832270"	104.524374	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-2H"	-2.014552
"93113"	421.119324	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M-H"	-1.007276
"528784"	632.182624	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M-H"	-1.007276
"905490"	210.056024	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-H"	-1.007276
"57677"	438.145871	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M-2H+NH4"	16.019271
"491770"	649.209171	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M-2H+NH4"	16.019271
"869572"	227.082571	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-2H+NH4"	16.019271
"35285"	443.101266	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M-2H+Na"	20.974666
"478129"	654.164566	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M-2H+Na"	20.974666
"855934"	232.037966	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-2H+Na"	20.974666
"1624374"	232.037966	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Na-2H"	20.974666
"97986"	228.044363	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M-H+Cl"	33.962126
"540464"	333.576013	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M-H+Cl"	33.962126
"937260"	122.512713	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-H+Cl"	33.962126
"271442"	457.096002	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+Cl"	34.969402
"661675"	668.159302	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+Cl"	34.969402
"1281737"	246.032702	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Cl"	34.969402
"25387"	459.075206	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M-2H+K"	36.948606
"466042"	670.138506	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M-2H+K"	36.948606
"837283"	248.011906	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-2H+K"	36.948606
"1569524"	248.011906	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+K-2H"	36.948606
"948658"	256.061494	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-H+HCOOH"	44.998194
"373444"	467.124801	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+HCOOH-H"	44.998201
"354044"	481.140451	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+Hac-H"	59.013851
"1501779"	270.077151	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Hac-H"	59.013851
"967131"	278.043451	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-H+NaCOOH"	66.980151
"116039"	246.032702	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+2Cl"	69.938804
"563255"	351.564352	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+2Cl"	69.938804
"1032053"	140.501052	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2Cl"	69.938804
"1249446"	289.982185	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Br"	78.918885
"1308612"	292.038172	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Cl+HCOOH"	80.974872
"1325013"	314.020129	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Cl+NaCOOH"	102.956829
"913884"	324.048886	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M-H+CF3COOH"	112.985586
"1288493"	360.025564	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Cl+CF3COOH"	148.962264
"1380421"	176.050624	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H-2H2O"	-35.012676
"1393907"	194.0606	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H-H2O"	-17.0027
"293593"	423.133876	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+H"	1.007276
"681643"	634.197176	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+H"	1.007276
"1354709"	212.070576	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H"	1.007276
"130880"	212.070576	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+2H"	2.014552
"572626"	317.602226	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+2H"	2.014552
"1041424"	106.538926	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2H"	2.014552
"208229"	141.716142666667	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+3H"	3.021828
"648157"	212.070576	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+3H"	3.021828
"1168107"	71.3617093333333	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+3H"	3.021828
"434686"	440.160423	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+NH4"	18.033823
"795680"	651.223723	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+NH4"	18.033823
"1692011"	229.097123	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+NH4"	18.033823
"339197"	220.5838495	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+H+NH4"	19.041099
"732710"	326.1154995	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+H+NH4"	19.041099
"1488719"	115.0521995	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H+NH4"	19.041099
"400837"	445.115818	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+Na"	22.989218
"759645"	656.179118	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+Na"	22.989218
"1611025"	234.052518	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Na"	22.989218
"325436"	223.061547	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+H+Na"	23.996494
"719680"	328.593197	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+H+Na"	23.996494
"1473863"	117.529897	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H+Na"	23.996494
"1067108"	78.6890233333333	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2H+Na"	25.00377
"1271337"	244.096786	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+CH3OH+H"	33.033486
"390275"	461.089758	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+K"	38.963158
"748352"	672.153058	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+K"	38.963158
"1547124"	250.026458	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+K"	38.963158
"298566"	231.048517	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+H+K"	39.970434
"692708"	336.580167	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+H+K"	39.970434
"1451635"	125.516867	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H+K"	39.970434
"249840"	464.160426	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+ACN+H"	42.033826
"1224618"	253.097126	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+ACN+H"	42.033826
"1208629"	127.052201	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+ACN+2H"	43.041102
"202594"	467.09776	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+2Na-H"	44.97116
"643122"	678.16106	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+2Na-H"	44.97116
"1145901"	256.03446	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2Na-H"	44.97116
"187003"	234.052518	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+2Na"	45.978436
"623276"	339.584168	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+2Na"	45.978436
"1120220"	128.520868	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2Na"	45.978436
"1402648"	86.0163373333333	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H+2Na"	46.985712
"1435129"	258.076046	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H+HCOOH"	47.012746
"223001"	239.08554	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+3H2O+2H"	56.04448
"1512154"	272.12809	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+IsoProp+H"	61.06479
"412207"	242.039488	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+Na+K"	61.952376
"773199"	347.571138	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+Na+K"	61.952376
"1667347"	136.507838	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Na+K"	61.952376
"254961"	486.142368	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+ACN+Na"	64.015768
"1227668"	275.079068	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+ACN+Na"	64.015768
"1724953"	275.102593	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+NH4+HCOOH"	64.039293
"1191769"	93.3436513333333	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+3Na"	68.967654
"1661296"	280.057988	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Na+HCOOH"	68.994688
"169978"	499.04564	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+2K-H"	76.91904
"605892"	710.10894	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+2K-H"	76.91904
"1093686"	287.98234	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2K-H"	76.91904
"146127"	250.026458	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"2M+2K"	77.926316
"591161"	355.558108	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"3M+2K"	77.926316
"1080045"	144.494808	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2K"	77.926316
"1111070"	289.996892	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2K+H"	78.933592
"1349274"	290.084507	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+DMSO+H"	79.021207
"1015989"	294.123676	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2ACN+H"	83.060376
"1537401"	295.117308	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+IsoProp+Na+H"	84.054008
"1004211"	147.565476	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+2ACN+2H"	84.067652
"1602117"	296.031928	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+K+HCOOH"	84.968628
"1427653"	326.063438	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+H+CF3COOH"	115.000138
"1159762"	168.078751	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+3ACN+2H"	125.094202
"1710406"	343.089985	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+NH4+CF3COOH"	132.026685
"1646054"	348.04538	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+Na+CF3COOH"	136.98208
"1583892"	364.01932	"C14952"	"3-Amino-6H-dibenzobdpyran-6-one"	"C13H9NO2"	"211.0633"	"M+K+CF3COOH"	152.95602
"814259"	432.142	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M"	0
"984511"	413.12361	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H2O-H"	-19.01839
"68379"	287.087390666667	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-3H"	-3.021828
"504657"	431.134724	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-3H"	-3.021828
"882459"	143.040057333333	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-3H"	-3.021828
"2128"	431.134724	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H"	-2.014552
"450439"	647.205724	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H"	-2.014552
"828242"	215.063724	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H"	-2.014552
"92860"	863.276724	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-H"	-1.007276
"528894"	1295.418724	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-H"	-1.007276
"904507"	431.134724	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H"	-1.007276
"57787"	880.303271	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H+NH4"	16.019271
"491880"	1312.445271	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H+NH4"	16.019271
"869682"	448.161271	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H+NH4"	16.019271
"35395"	885.258666	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H+Na"	20.974666
"476417"	1317.400666	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H+Na"	20.974666
"856044"	453.116666	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H+Na"	20.974666
"1624848"	453.116666	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na-2H"	20.974666
"96637"	449.123063	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-H+Cl"	33.962126
"537289"	665.194063	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-H+Cl"	33.962126
"935183"	233.052063	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+Cl"	33.962126
"273738"	899.253402	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Cl"	34.969402
"662149"	1331.395402	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+Cl"	34.969402
"1279658"	467.111402	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl"	34.969402
"18205"	901.232606	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M-2H+K"	36.948606
"458858"	1333.374606	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M-2H+K"	36.948606
"835206"	469.090606	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-2H+K"	36.948606
"1565260"	469.090606	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+K-2H"	36.948606
"948768"	477.140194	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+HCOOH"	44.998194
"372460"	909.282201	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+HCOOH-H"	44.998201
"357432"	923.297851	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Hac-H"	59.013851
"1502982"	491.155851	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Hac-H"	59.013851
"967241"	499.122151	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+NaCOOH"	66.980151
"116149"	467.111402	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2Cl"	69.938804
"564458"	683.182402	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2Cl"	69.938804
"1032163"	251.040402	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2Cl"	69.938804
"1249556"	511.060885	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Br"	78.918885
"1307629"	513.116872	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl+HCOOH"	80.974872
"1325123"	535.098829	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl+NaCOOH"	102.956829
"915087"	545.127586	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M-H+CF3COOH"	112.985586
"1289078"	581.104264	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Cl+CF3COOH"	148.962264
"1380895"	397.129324	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H-2H2O"	-35.012676
"1392924"	415.1393	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H-H2O"	-17.0027
"291516"	865.291276	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H"	1.007276
"680660"	1297.433276	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H"	1.007276
"1353725"	433.149276	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H"	1.007276
"130989"	433.149276	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2H"	2.014552
"568362"	649.220276	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2H"	2.014552
"1039346"	217.078276	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2H"	2.014552
"208341"	289.101942666667	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+3H"	3.021828
"646445"	433.149276	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+3H"	3.021828
"1167124"	145.054609333333	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+3H"	3.021828
"432609"	882.317823	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+NH4"	18.033823
"793604"	1314.459823	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+NH4"	18.033823
"1690662"	450.175823	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+NH4"	18.033823
"338214"	441.6625495	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H+NH4"	19.041099
"730635"	657.7335495	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H+NH4"	19.041099
"1484454"	225.5915495	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+NH4"	19.041099
"397665"	887.273218	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Na"	22.989218
"757569"	1319.415218	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+Na"	22.989218
"1604575"	455.131218	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na"	22.989218
"318985"	444.140247	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H+Na"	23.996494
"715777"	660.211247	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H+Na"	23.996494
"1473242"	228.069247	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+Na"	23.996494
"1064664"	152.381923333333	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2H+Na"	25.00377
"1267799"	465.175486	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+CH3OH+H"	33.033486
"386375"	903.247158	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+K"	38.963158
"739713"	1335.389158	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+K"	38.963158
"1541394"	471.105158	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+K"	38.963158
"299302"	452.127217	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+H+K"	39.970434
"692818"	668.198217	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+H+K"	39.970434
"1451745"	236.056217	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+K"	39.970434
"248734"	906.317826	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+ACN+H"	42.033826
"1224243"	474.175826	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+ACN+H"	42.033826
"1204606"	237.591551	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+ACN+2H"	43.041102
"200028"	909.25516	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2Na-H"	44.97116
"642747"	1341.39716	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2Na-H"	44.97116
"1146253"	477.11316	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2Na-H"	44.97116
"183828"	455.131218	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+2Na"	45.978436
"624479"	671.202218	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+2Na"	45.978436
"1119599"	239.060218	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+2Na"	45.978436
"1402755"	159.709237333333	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+2Na"	46.985712
"1435967"	479.154746	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+H+HCOOH"	47.012746
"223474"	460.16424	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+3H2O+2H"	56.04448
"1512627"	493.20679	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+IsoProp+H"	61.06479
"410130"	463.118188	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"2M+Na+K"	61.952376
"771488"	679.189188	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"3M+Na+K"	61.952376
"1668550"	247.047188	"C14953"	"2-(345-Trimethoxyphenyl)-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C22H24O9"	"432.142"	"M+Na+K"	61.952376
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"1434983"	391.247846	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"222855"	372.25734	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1513830"	405.29989	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"410602"	375.211288	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"772329"	547.328838	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1668660"	203.093738	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"254088"	752.485968	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1228983"	408.250868	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1713129"	408.274393	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1192099"	137.734251333333	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1657504"	413.229788	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"163272"	765.38924	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"602830"	1109.62434	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1093906"	421.15414	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"147441"	383.198258	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"587003"	555.315808	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1075888"	211.080708	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1112381"	423.168692	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1349373"	423.256307	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1017302"	427.295476	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1537255"	428.289108	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"1004063"	214.151376	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1602093"	429.203728	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1429330"	459.235238	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1159982"	234.664651	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1710626"	476.261785	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1642994"	481.21718	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1584112"	497.19112	"C14954"	"17-Methylandrosta-46-diene-3beta17beta-diol 3-acetate"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"814115"	372.1759	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M"	0
"985825"	353.15751	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-H2O-H"	-19.01839
"67506"	247.109990666667	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M-3H"	-3.021828
"507065"	371.168624	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M-3H"	-3.021828
"883774"	123.051357333333	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-3H"	-3.021828
"1376"	371.168624	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M-2H"	-2.014552
"450659"	557.256574	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M-2H"	-2.014552
"828462"	185.080674	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-2H"	-2.014552
"89553"	743.344524	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M-H"	-1.007276
"528019"	1115.520424	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M-H"	-1.007276
"902540"	371.168624	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-H"	-1.007276
"54726"	760.371071	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M-2H+NH4"	16.019271
"495380"	1132.546971	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M-2H+NH4"	16.019271
"873182"	388.195171	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-2H+NH4"	16.019271
"36708"	765.326466	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M-2H+Na"	20.974666
"478460"	1137.502366	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M-2H+Na"	20.974666
"856264"	393.150566	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-2H+Na"	20.974666
"1621056"	393.150566	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Na-2H"	20.974666
"96856"	389.156963	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M-H+Cl"	33.962126
"537875"	575.244913	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M-H+Cl"	33.962126
"940870"	203.069013	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-H+Cl"	33.962126
"273958"	779.321202	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+Cl"	34.969402
"662370"	1151.497102	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+Cl"	34.969402
"1277691"	407.145302	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Cl"	34.969402
"18425"	781.300406	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M-2H+K"	36.948606
"459808"	1153.476306	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M-2H+K"	36.948606
"839799"	409.124506	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-2H+K"	36.948606
"1566574"	409.124506	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+K-2H"	36.948606
"948988"	417.174094	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-H+HCOOH"	44.998194
"372674"	789.350001	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+HCOOH-H"	44.998201
"357651"	803.365651	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+Hac-H"	59.013851
"1505389"	431.189751	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Hac-H"	59.013851
"968555"	439.156051	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-H+NaCOOH"	66.980151
"116369"	407.145302	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+2Cl"	69.938804
"564678"	593.233252	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+2Cl"	69.938804
"1032383"	221.057352	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2Cl"	69.938804
"1249776"	451.094785	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Br"	78.918885
"1308942"	453.150772	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Cl+HCOOH"	80.974872
"1322063"	475.132729	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Cl+NaCOOH"	102.956829
"913121"	485.161486	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M-H+CF3COOH"	112.985586
"1289828"	521.138164	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Cl+CF3COOH"	148.962264
"1367865"	337.163224	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H-2H2O"	-35.012676
"1387676"	355.1732	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H-H2O"	-17.0027
"287362"	745.359076	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+H"	1.007276
"680880"	1117.534976	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+H"	1.007276
"1352244"	373.183176	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H"	1.007276
"131209"	373.183176	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+2H"	2.014552
"568581"	559.271126	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+2H"	2.014552
"1039565"	187.095226	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2H"	2.014552
"207104"	249.124542666667	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+3H"	3.021828
"645571"	373.183176	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+3H"	3.021828
"1165158"	125.065909333333	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+3H"	3.021828
"437202"	762.385623	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+NH4"	18.033823
"794917"	1134.561523	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+NH4"	18.033823
"1692342"	390.209723	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+NH4"	18.033823
"341716"	381.6964495	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+H+NH4"	19.041099
"731949"	567.7843995	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+H+NH4"	19.041099
"1486863"	195.6084995	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H+NH4"	19.041099
"402260"	767.341018	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+Na"	22.989218
"758883"	1139.516918	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+Na"	22.989218
"1610262"	395.165118	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Na"	22.989218
"323578"	384.174147	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+H+Na"	23.996494
"718185"	570.262097	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+H+Na"	23.996494
"1472005"	198.086197	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H+Na"	23.996494
"1061968"	132.393223333333	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2H+Na"	25.00377
"1267654"	405.209386	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+CH3OH+H"	33.033486
"387323"	783.314958	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+K"	38.963158
"741391"	1155.490858	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+K"	38.963158
"1541618"	411.139058	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+K"	38.963158
"298786"	392.161117	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+H+K"	39.970434
"694496"	578.249067	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+H+K"	39.970434
"1446614"	206.073167	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H+K"	39.970434
"248953"	786.385626	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+ACN+H"	42.033826
"1223850"	414.209726	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+ACN+H"	42.033826
"1205919"	207.608501	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+ACN+2H"	43.041102
"198788"	789.32296	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+2Na-H"	44.97116
"643453"	1161.49886	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+2Na-H"	44.97116
"1146513"	417.14706	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2Na-H"	44.97116
"186233"	395.165118	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+2Na"	45.978436
"623605"	581.253068	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+2Na"	45.978436
"1120184"	209.077168	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2Na"	45.978436
"1400789"	139.720537333333	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H+2Na"	46.985712
"1434364"	419.188646	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H+HCOOH"	47.012746
"222600"	400.19814	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+3H2O+2H"	56.04448
"1510661"	433.24069	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+IsoProp+H"	61.06479
"411440"	403.152088	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+Na+K"	61.952376
"772439"	589.240038	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+Na+K"	61.952376
"1667677"	217.064138	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Na+K"	61.952376
"254198"	808.367568	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+ACN+Na"	64.015768
"1226782"	436.191668	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+ACN+Na"	64.015768
"1713237"	436.215193	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+NH4+HCOOH"	64.039293
"1183335"	147.047851333333	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+3Na"	68.967654
"1659800"	441.170588	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Na+HCOOH"	68.994688
"165567"	821.27084	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+2K-H"	76.91904
"600753"	1193.44674	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+2K-H"	76.91904
"1094015"	449.09494	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2K-H"	76.91904
"148644"	411.139058	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"2M+2K"	77.926316
"586017"	597.227008	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"3M+2K"	77.926316
"1073811"	225.051108	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2K"	77.926316
"1113221"	451.109492	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2K+H"	78.933592
"1348511"	451.197107	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+DMSO+H"	79.021207
"1020818"	455.236276	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2ACN+H"	83.060376
"1539554"	456.229908	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+IsoProp+Na+H"	84.054008
"1004784"	228.121776	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+2ACN+2H"	84.067652
"1601594"	457.144528	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+K+HCOOH"	84.968628
"1429400"	487.176038	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+H+CF3COOH"	115.000138
"1160092"	248.635051	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+3ACN+2H"	125.094202
"1710736"	504.202585	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+NH4+CF3COOH"	132.026685
"1646384"	509.15798	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+Na+CF3COOH"	136.98208
"1584222"	525.13192	"C14955"	"17beta-(Acetylthio)estra-135(10)-trien-3-ol acetate"	"C22H28O3S"	"372.1759"	"M+K+CF3COOH"	152.95602
"814589"	304.2402	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M"	0
"987028"	285.22181	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"67615"	201.819524	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"508268"	303.232924	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"886071"	100.406124	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"3551"	303.232924	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"453685"	455.353024	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"832341"	151.112824	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"91850"	607.473124	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"530319"	911.713324	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"908119"	303.232924	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"60305"	624.499671	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"500475"	928.739871	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"876572"	320.259471	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"43381"	629.455066	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"481851"	933.695266	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"856374"	325.214866	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1620194"	325.214866	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"96238"	321.221263	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"535674"	473.341363	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"930041"	169.101163	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"271152"	643.449802	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"663209"	947.690002	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1283270"	339.209602	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"24733"	645.429006	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"457488"	949.669206	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"838816"	341.188806	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1560122"	341.188806	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"952377"	349.238394	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"366217"	653.478601	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"354477"	667.494251	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1507202"	363.254051	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"968665"	371.220351	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"116843"	339.209602	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"565115"	491.329702	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1032493"	187.089502	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1256448"	383.159085	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1318895"	385.215072	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1335176"	407.197029	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"921981"	417.225786	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1299782"	453.202464	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1379039"	269.227524	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1391069"	287.2375	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"288566"	609.487676	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"680990"	913.727876	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1356243"	305.247476	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"133508"	305.247476	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"571971"	457.367576	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1044051"	153.127376	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"207578"	203.834076	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"646778"	305.247476	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1167456"	102.420676	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"436220"	626.514223	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"796120"	930.754423	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1691359"	322.274023	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"343649"	313.7607495	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"733152"	465.8808495	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1488066"	161.6406495	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"402370"	631.469618	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"761180"	935.709818	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1612559"	327.229418	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"323688"	316.238447	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"717202"	468.358547	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1472117"	164.118347	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1066454"	109.74799	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1267038"	337.273686	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"386704"	647.443558	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"742230"	951.683758	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1544280"	343.203358	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"302547"	324.225417	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"695335"	476.345517	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1447696"	172.105317	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"251292"	650.514226	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1223842"	346.274026	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1207122"	173.640651	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"201085"	653.45156	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"641739"	957.69176	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1146949"	349.21136	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"187437"	327.229418	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"625903"	479.349518	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1119201"	175.109318	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1401994"	117.075304	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1433746"	351.252946	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"223804"	332.26244	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1511865"	365.30499	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"411914"	335.216388	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"771576"	487.336488	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1669975"	183.096288	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"256495"	672.496168	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1227380"	368.255968	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1715537"	368.279493	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1193287"	124.402618	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1659909"	373.234888	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"161303"	685.39944	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"604144"	989.63964	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1089750"	381.15924	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"147661"	343.203358	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"586127"	495.323458	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1073921"	191.083258	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1114424"	383.173792	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1348500"	383.261407	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1016427"	387.300576	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1537720"	388.294208	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"1004286"	194.153926	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1602071"	389.208828	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1429309"	419.240338	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1161296"	214.667201	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1710846"	436.266885	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1645401"	441.22228	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1584332"	457.19622	"C14956"	"3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one;2alpha-Methylandrosterone"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"812513"	364.1805	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M"	0
"986045"	345.16211	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-H2O-H"	-19.01839
"66632"	241.779724	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M-3H"	-3.021828
"506192"	363.173224	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M-3H"	-3.021828
"883994"	120.386224	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-3H"	-3.021828
"3662"	363.173224	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M-2H"	-2.014552
"450516"	545.263474	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M-2H"	-2.014552
"825403"	181.082974	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-2H"	-2.014552
"89771"	727.353724	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M-H"	-1.007276
"528237"	1091.534224	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M-H"	-1.007276
"907136"	363.173224	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-H"	-1.007276
"59322"	744.380271	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M-2H+NH4"	16.019271
"499980"	1108.560771	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M-2H+NH4"	16.019271
"878266"	380.199771	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-2H+NH4"	16.019271
"42398"	749.335666	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M-2H+Na"	20.974666
"478681"	1113.516166	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M-2H+Na"	20.974666
"857577"	385.155166	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-2H+Na"	20.974666
"1619940"	385.155166	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Na-2H"	20.974666
"98172"	381.161563	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M-H+Cl"	33.962126
"534322"	563.251813	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M-H+Cl"	33.962126
"927308"	199.071313	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-H+Cl"	33.962126
"268704"	763.330402	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+Cl"	34.969402
"660400"	1127.510902	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+Cl"	34.969402
"1283380"	399.149902	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Cl"	34.969402
"23750"	765.309606	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M-2H+K"	36.948606
"460029"	1129.490106	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M-2H+K"	36.948606
"838926"	401.129106	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-2H+K"	36.948606
"1560232"	401.129106	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+K-2H"	36.948606
"952487"	409.178694	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-H+HCOOH"	44.998194
"367421"	773.359201	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+HCOOH-H"	44.998201
"353858"	787.374851	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+Hac-H"	59.013851
"1503423"	423.194351	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Hac-H"	59.013851
"969868"	431.160651	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-H+NaCOOH"	66.980151
"114765"	399.149902	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+2Cl"	69.938804
"562712"	581.240152	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+2Cl"	69.938804
"1032603"	217.059652	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2Cl"	69.938804
"1253276"	443.099385	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Br"	78.918885
"1313538"	445.155372	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Cl+HCOOH"	80.974872
"1323379"	467.137329	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Cl+NaCOOH"	102.956829
"918810"	477.166086	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M-H+CF3COOH"	112.985586
"1299892"	513.142764	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Cl+CF3COOH"	148.962264
"1378785"	329.167824	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H-2H2O"	-35.012676
"1382832"	347.1778	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H-H2O"	-17.0027
"286490"	729.368276	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+H"	1.007276
"680007"	1093.548776	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+H"	1.007276
"1354167"	365.187776	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H"	1.007276
"129243"	365.187776	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+2H"	2.014552
"568801"	547.278026	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+2H"	2.014552
"1040879"	183.097526	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2H"	2.014552
"206962"	243.794276	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+3H"	3.021828
"646524"	365.187776	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+3H"	3.021828
"1165379"	122.400776	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+3H"	3.021828
"437059"	746.394823	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+NH4"	18.033823
"797323"	1110.575323	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+NH4"	18.033823
"1691469"	382.214323	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+NH4"	18.033823
"345217"	373.7010495	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+H+NH4"	19.041099
"734357"	555.7912995	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+H+NH4"	19.041099
"1489998"	191.6107995	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H+NH4"	19.041099
"404304"	751.350218	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+Na"	22.989218
"762383"	1115.530718	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+Na"	22.989218
"1611576"	387.169718	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Na"	22.989218
"325985"	376.178747	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+H+Na"	23.996494
"718406"	558.268997	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+H+Na"	23.996494
"1472227"	194.088497	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H+Na"	23.996494
"1067658"	129.72809	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2H+Na"	25.00377
"1269335"	397.213986	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+CH3OH+H"	33.033486
"384628"	767.324158	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+K"	38.963158
"743433"	1131.504658	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+K"	38.963158
"1547671"	403.143658	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+K"	38.963158
"302658"	384.165717	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+H+K"	39.970434
"693623"	566.255967	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+H+K"	39.970434
"1446713"	202.075467	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H+K"	39.970434
"249904"	770.394826	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+ACN+H"	42.033826
"1224437"	406.214326	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+ACN+H"	42.033826
"1205045"	203.610801	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+ACN+2H"	43.041102
"201195"	773.33216	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+2Na-H"	44.97116
"640756"	1137.51266	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+2Na-H"	44.97116
"1146247"	409.15166	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2Na-H"	44.97116
"184267"	387.169718	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+2Na"	45.978436
"621639"	569.259968	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+2Na"	45.978436
"1119311"	205.079468	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2Na"	45.978436
"1402104"	137.055404	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H+2Na"	46.985712
"1433856"	411.193246	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H+HCOOH"	47.012746
"223913"	392.20274	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+3H2O+2H"	56.04448
"1511975"	425.24529	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+IsoProp+H"	61.06479
"410567"	395.156688	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+Na+K"	61.952376
"773752"	577.246938	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+Na+K"	61.952376
"1666074"	213.066438	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Na+K"	61.952376
"252594"	792.376768	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+ACN+Na"	64.015768
"1227126"	428.196268	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+ACN+Na"	64.015768
"1716012"	428.219793	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+NH4+HCOOH"	64.039293
"1190118"	144.382718	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+3Na"	68.967654
"1660019"	433.175188	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Na+HCOOH"	68.994688
"165785"	805.28004	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+2K-H"	76.91904
"603160"	1169.46054	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+2K-H"	76.91904
"1088767"	441.09954	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2K-H"	76.91904
"147770"	403.143658	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"2M+2K"	77.926316
"584051"	585.233908	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"3M+2K"	77.926316
"1072938"	221.053408	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2K"	77.926316
"1112710"	443.114092	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2K+H"	78.933592
"1346908"	443.201707	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+DMSO+H"	79.021207
"1016537"	447.240876	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2ACN+H"	83.060376
"1535755"	448.234508	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+IsoProp+Na+H"	84.054008
"1005249"	224.124076	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+2ACN+2H"	84.067652
"1602181"	449.149128	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+K+HCOOH"	84.968628
"1426742"	479.180638	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+H+CF3COOH"	115.000138
"1158122"	244.637351	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+3ACN+2H"	125.094202
"1712414"	496.207185	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+NH4+CF3COOH"	132.026685
"1645511"	501.16258	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+Na+CF3COOH"	136.98208
"1584442"	517.13652	"C14957"	"3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one"	"C21H29ClO3"	"364.1805"	"M+K+CF3COOH"	152.95602
"812623"	289.2406	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M"	0
"986155"	270.22221	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-H2O-H"	-19.01839
"67835"	191.819790666667	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M-3H"	-3.021828
"506302"	288.233324	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M-3H"	-3.021828
"885197"	95.4062573333333	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-3H"	-3.021828
"4865"	288.233324	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M-2H"	-2.014552
"452812"	432.853624	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M-2H"	-2.014552
"827699"	143.613024	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-2H"	-2.014552
"89881"	577.473924	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M-H"	-1.007276
"528347"	866.714524	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M-H"	-1.007276
"906153"	288.233324	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-H"	-1.007276
"59432"	594.500471	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M-2H+NH4"	16.019271
"498873"	883.741071	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M-2H+NH4"	16.019271
"875700"	305.259871	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-2H+NH4"	16.019271
"38133"	599.455866	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M-2H+Na"	20.974666
"480980"	888.696466	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M-2H+Na"	20.974666
"856596"	310.215266	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-2H+Na"	20.974666
"1623940"	310.215266	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Na-2H"	20.974666
"98282"	306.221663	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M-H+Cl"	33.962126
"536378"	450.841963	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M-H+Cl"	33.962126
"929169"	161.601363	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-H+Cl"	33.962126
"269906"	613.450602	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+Cl"	34.969402
"661601"	902.691202	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+Cl"	34.969402
"1278021"	324.210002	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Cl"	34.969402
"19486"	615.429806	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M-2H+K"	36.948606
"459046"	904.670406	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M-2H+K"	36.948606
"834659"	326.189206	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-2H+K"	36.948606
"1567993"	326.189206	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+K-2H"	36.948606
"951504"	334.238794	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-H+HCOOH"	44.998194
"366438"	623.479401	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+HCOOH-H"	44.998201
"353604"	637.495051	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+Hac-H"	59.013851
"1502440"	348.254451	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Hac-H"	59.013851
"967791"	356.220751	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-H+NaCOOH"	66.980151
"114511"	324.210002	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+2Cl"	69.938804
"562823"	468.830302	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+2Cl"	69.938804
"1031620"	179.589702	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2Cl"	69.938804
"1252293"	368.159485	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Br"	78.918885
"1312555"	370.215472	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Cl+HCOOH"	80.974872
"1326769"	392.197429	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Cl+NaCOOH"	102.956829
"918920"	402.226186	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M-H+CF3COOH"	112.985586
"1298909"	438.202864	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Cl+CF3COOH"	148.962264
"1379259"	254.227924	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H-2H2O"	-35.012676
"1383506"	272.2379	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H-H2O"	-17.0027
"283357"	579.488476	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+H"	1.007276
"679024"	868.729076	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+H"	1.007276
"1351520"	290.247876	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H"	1.007276
"126314"	290.247876	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+2H"	2.014552
"570004"	434.868176	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+2H"	2.014552
"1039532"	145.627576	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2H"	2.014552
"207072"	193.834342666667	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+3H"	3.021828
"645541"	290.247876	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+3H"	3.021828
"1164148"	97.4208093333333	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+3H"	3.021828
"434247"	596.515023	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+NH4"	18.033823
"797061"	885.755623	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+NH4"	18.033823
"1690113"	307.274423	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+NH4"	18.033823
"343140"	298.7611495	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+H+NH4"	19.041099
"735561"	443.3814495	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+H+NH4"	19.041099
"1489016"	154.1408495	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H+NH4"	19.041099
"406964"	601.470418	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+Na"	22.989218
"765774"	890.711018	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+Na"	22.989218
"1617884"	312.229818	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Na"	22.989218
"328769"	301.238847	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+H+Na"	23.996494
"720702"	445.859147	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+H+Na"	23.996494
"1474889"	156.618547	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H+Na"	23.996494
"1067161"	104.748123333333	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2H+Na"	25.00377
"1269444"	322.274086	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+CH3OH+H"	33.033486
"386924"	617.444358	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+K"	38.963158
"742450"	906.684958	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+K"	38.963158
"1545594"	328.203758	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+K"	38.963158
"300581"	309.225817	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+H+K"	39.970434
"693733"	453.846117	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+H+K"	39.970434
"1446823"	164.605517	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H+K"	39.970434
"250258"	620.515026	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+ACN+H"	42.033826
"1224429"	331.274426	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+ACN+H"	42.033826
"1204062"	166.140851	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+ACN+2H"	43.041102
"198024"	623.45236	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+2Na-H"	44.97116
"639772"	912.69296	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+2Na-H"	44.97116
"1145344"	334.21176	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2Na-H"	44.97116
"184377"	312.229818	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+2Na"	45.978436
"622842"	456.850118	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+2Na"	45.978436
"1119421"	167.609518	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2Na"	45.978436
"1402579"	112.075437333333	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H+2Na"	46.985712
"1435424"	336.253346	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H+HCOOH"	47.012746
"225116"	317.26284	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+3H2O+2H"	56.04448
"1512085"	350.30539	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+IsoProp+H"	61.06479
"410677"	320.216788	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+Na+K"	61.952376
"773132"	464.837088	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+Na+K"	61.952376
"1666549"	175.596488	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Na+K"	61.952376
"253069"	642.496968	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+ACN+Na"	64.015768
"1230515"	353.256368	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+ACN+Na"	64.015768
"1717215"	353.279893	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+NH4+HCOOH"	64.039293
"1183661"	119.402751333333	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+3Na"	68.967654
"1655744"	358.235288	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Na+HCOOH"	68.994688
"161513"	655.40024	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+2K-H"	76.91904
"603272"	944.64084	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+2K-H"	76.91904
"1088877"	366.15964	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2K-H"	76.91904
"146786"	328.203758	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"2M+2K"	77.926316
"588898"	472.824058	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"3M+2K"	77.926316
"1075234"	183.583458	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2K"	77.926316
"1110633"	368.174192	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2K+H"	78.933592
"1344830"	368.261807	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+DMSO+H"	79.021207
"1019928"	372.300976	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2ACN+H"	83.060376
"1535867"	373.294608	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+IsoProp+Na+H"	84.054008
"1004630"	186.654126	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+2ACN+2H"	84.067652
"1602534"	374.209228	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+K+HCOOH"	84.968628
"1429731"	404.240738	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+H+CF3COOH"	115.000138
"1162243"	207.167401	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+3ACN+2H"	125.094202
"1711065"	421.267285	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+NH4+CF3COOH"	132.026685
"1646714"	426.22268	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+Na+CF3COOH"	136.98208
"1584552"	442.19662	"C14958"	"17a-Aza-D-homoandrost-5-en-3beta-ol"	"C19H31NO"	"289.2406"	"M+K+CF3COOH"	152.95602
"813828"	358.1933	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M"	0
"986265"	339.17491	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-H2O-H"	-19.01839
"64666"	237.788257333333	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M-3H"	-3.021828
"507505"	357.186024	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M-3H"	-3.021828
"885307"	118.390490666667	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-3H"	-3.021828
"4975"	357.186024	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M-2H"	-2.014552
"452922"	536.282674	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M-2H"	-2.014552
"828902"	178.089374	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-2H"	-2.014552
"89991"	715.379324	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M-H"	-1.007276
"528457"	1073.572624	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M-H"	-1.007276
"906262"	357.186024	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-H"	-1.007276
"57355"	732.405871	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M-2H+NH4"	16.019271
"499955"	1090.599171	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M-2H+NH4"	16.019271
"875811"	374.212571	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-2H+NH4"	16.019271
"39336"	737.361266	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M-2H+Na"	20.974666
"482183"	1095.554566	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M-2H+Na"	20.974666
"856706"	379.167966	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-2H+Na"	20.974666
"1622957"	379.167966	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Na-2H"	20.974666
"96204"	375.174363	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M-H+Cl"	33.962126
"535763"	554.271013	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M-H+Cl"	33.962126
"929276"	196.077713	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-H+Cl"	33.962126
"270016"	751.356002	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+Cl"	34.969402
"663171"	1109.549302	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+Cl"	34.969402
"1278132"	393.162702	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Cl"	34.969402
"21783"	753.335206	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M-2H+K"	36.948606
"462436"	1111.528506	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M-2H+K"	36.948606
"835862"	395.141906	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-2H+K"	36.948606
"1565920"	395.141906	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+K-2H"	36.948606
"950523"	403.191494	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-H+HCOOH"	44.998194
"365455"	761.384801	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+HCOOH-H"	44.998201
"350430"	775.400451	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+Hac-H"	59.013851
"1500363"	417.207151	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Hac-H"	59.013851
"965715"	425.173451	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-H+NaCOOH"	66.980151
"113528"	393.162702	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+2Cl"	69.938804
"559653"	572.259352	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+2Cl"	69.938804
"1030637"	214.066052	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2Cl"	69.938804
"1249124"	437.112185	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Br"	78.918885
"1312665"	439.168172	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Cl+HCOOH"	80.974872
"1326879"	461.150129	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Cl+NaCOOH"	102.956829
"922310"	471.178886	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M-H+CF3COOH"	112.985586
"1296832"	507.155564	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Cl+CF3COOH"	148.962264
"1378276"	323.180624	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H-2H2O"	-35.012676
"1384836"	341.1906	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H-H2O"	-17.0027
"283672"	717.393876	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+H"	1.007276
"677188"	1075.587176	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+H"	1.007276
"1352684"	359.200576	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H"	1.007276
"127637"	359.200576	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+2H"	2.014552
"568658"	538.297226	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+2H"	2.014552
"1040736"	180.103926	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2H"	2.014552
"207543"	239.802809333333	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+3H"	3.021828
"645647"	359.200576	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+3H"	3.021828
"1163406"	120.405042666667	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+3H"	3.021828
"433263"	734.420423	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+NH4"	18.033823
"794257"	1092.613723	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+NH4"	18.033823
"1692776"	376.227123	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+NH4"	18.033823
"344830"	367.7138495	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+H+NH4"	19.041099
"737496"	546.8104995	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+H+NH4"	19.041099
"1491193"	188.6171995	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H+NH4"	19.041099
"408047"	739.375818	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+Na"	22.989218
"767706"	1097.569118	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+Na"	22.989218
"1616901"	381.182518	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Na"	22.989218
"329610"	370.191547	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+H+Na"	23.996494
"721422"	549.288197	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+H+Na"	23.996494
"1474879"	191.094897	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H+Na"	23.996494
"1067516"	127.732356666667	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2H+Na"	25.00377
"1270283"	391.226786	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+CH3OH+H"	33.033486
"388859"	755.349758	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+K"	38.963158
"749122"	1113.543058	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+K"	38.963158
"1545705"	397.156458	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+K"	38.963158
"303243"	378.178517	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+H+K"	39.970434
"694572"	557.275167	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+H+K"	39.970434
"1447054"	199.081867	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H+K"	39.970434
"250368"	758.420426	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+ACN+H"	42.033826
"1218092"	400.227126	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+ACN+H"	42.033826
"1200889"	200.617201	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+ACN+2H"	43.041102
"201052"	761.35776	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+2Na-H"	44.97116
"642069"	1119.55106	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+2Na-H"	44.97116
"1145455"	403.16446	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2Na-H"	44.97116
"184487"	381.182518	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+2Na"	45.978436
"622952"	560.279168	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+2Na"	45.978436
"1120260"	202.085868	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2Na"	45.978436
"1403053"	135.059670666667	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H+2Na"	46.985712
"1435169"	405.206046	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H+HCOOH"	47.012746
"226321"	386.21554	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+3H2O+2H"	56.04448
"1515476"	419.25809	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+IsoProp+H"	61.06479
"411881"	389.169488	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+Na+K"	61.952376
"773973"	568.266138	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+Na+K"	61.952376
"1671395"	210.072838	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Na+K"	61.952376
"256093"	780.402368	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+ACN+Na"	64.015768
"1229532"	422.209068	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+ACN+Na"	64.015768
"1716233"	422.232593	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+NH4+HCOOH"	64.039293
"1183772"	142.386984666667	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+3Na"	68.967654
"1655854"	427.187988	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Na+HCOOH"	68.994688
"162716"	793.30564	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+2K-H"	76.91904
"603381"	1151.49894	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+2K-H"	76.91904
"1088986"	435.11234	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2K-H"	76.91904
"148353"	397.156458	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"2M+2K"	77.926316
"587185"	576.253108	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"3M+2K"	77.926316
"1074249"	218.059808	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2K"	77.926316
"1104181"	437.126892	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2K+H"	78.933592
"1340565"	437.214507	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+DMSO+H"	79.021207
"1017851"	441.253676	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2ACN+H"	83.060376
"1535976"	442.247308	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+IsoProp+Na+H"	84.054008
"1005600"	221.130476	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+2ACN+2H"	84.067652
"1602281"	443.161928	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+K+HCOOH"	84.968628
"1428057"	473.193438	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+H+CF3COOH"	115.000138
"1162596"	241.643751	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+3ACN+2H"	125.094202
"1712268"	490.219985	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+NH4+CF3COOH"	132.026685
"1646824"	495.17538	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+Na+CF3COOH"	136.98208
"1584662"	511.14932	"C14959"	"Estra-135(10)16-tetraen-3-ol benzoate"	"C25H26O2"	"358.1933"	"M+K+CF3COOH"	152.95602
"812843"	356.1844	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M"	0
"982001"	337.16601	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-H2O-H"	-19.01839
"66962"	236.448990666667	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M-3H"	-3.021828
"507615"	355.177124	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M-3H"	-3.021828
"884323"	117.720857333333	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-3H"	-3.021828
"3992"	355.177124	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M-2H"	-2.014552
"454125"	533.269324	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M-2H"	-2.014552
"829012"	177.084924	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-2H"	-2.014552
"82443"	711.361524	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M-H"	-1.007276
"530753"	1067.545924	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M-H"	-1.007276
"901993"	355.177124	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-H"	-1.007276
"56371"	728.388071	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M-2H+NH4"	16.019271
"502007"	1084.572471	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M-2H+NH4"	16.019271
"877012"	372.203671	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-2H+NH4"	16.019271
"38353"	733.343466	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M-2H+Na"	20.974666
"482293"	1089.527866	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M-2H+Na"	20.974666
"859003"	377.159066	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-2H+Na"	20.974666
"1626349"	377.159066	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Na-2H"	20.974666
"101783"	373.165463	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M-H+Cl"	33.962126
"535021"	551.257663	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M-H+Cl"	33.962126
"928295"	195.073263	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-H+Cl"	33.962126
"269401"	747.338202	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+Cl"	34.969402
"662917"	1103.522602	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+Cl"	34.969402
"1278242"	391.153802	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Cl"	34.969402
"21893"	749.317406	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M-2H+K"	36.948606
"459265"	1105.501806	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M-2H+K"	36.948606
"834879"	393.133006	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-2H+K"	36.948606
"1568214"	393.133006	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+K-2H"	36.948606
"951726"	401.182594	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-H+HCOOH"	44.998194
"365564"	757.367001	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+HCOOH-H"	44.998201
"348353"	771.382651	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+Hac-H"	59.013851
"1500473"	415.198251	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Hac-H"	59.013851
"964732"	423.164551	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-H+NaCOOH"	66.980151
"113638"	391.153802	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+2Cl"	69.938804
"560856"	569.246002	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+2Cl"	69.938804
"1030749"	213.061602	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2Cl"	69.938804
"1252516"	435.103285	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Br"	78.918885
"1310589"	437.159272	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Cl+HCOOH"	80.974872
"1326989"	459.141229	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Cl+NaCOOH"	102.956829
"922056"	469.169986	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M-H+CF3COOH"	112.985586
"1294755"	505.146664	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Cl+CF3COOH"	148.962264
"1376198"	321.171724	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H-2H2O"	-35.012676
"1386038"	339.1817	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H-H2O"	-17.0027
"283783"	713.376076	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+H"	1.007276
"675840"	1069.560476	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+H"	1.007276
"1354496"	357.191676	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H"	1.007276
"128477"	357.191676	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+2H"	2.014552
"569494"	535.283876	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+2H"	2.014552
"1041938"	179.099476	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2H"	2.014552
"207288"	238.463542666667	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+3H"	3.021828
"647943"	357.191676	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+3H"	3.021828
"1166070"	119.735409333333	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+3H"	3.021828
"436652"	730.402623	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+NH4"	18.033823
"797646"	1086.587023	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+NH4"	18.033823
"1694708"	374.218223	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+NH4"	18.033823
"344332"	365.7049495	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+H+NH4"	19.041099
"737732"	543.7971495	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+H+NH4"	19.041099
"1491303"	187.6127495	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H+NH4"	19.041099
"407427"	735.358018	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+Na"	22.989218
"765994"	1091.542418	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+Na"	22.989218
"1616523"	379.173618	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Na"	22.989218
"328992"	368.182647	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+H+Na"	23.996494
"720682"	546.274847	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+H+Na"	23.996494
"1475717"	190.090447	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H+Na"	23.996494
"1065798"	127.062723333333	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2H+Na"	25.00377
"1271972"	389.217886	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+CH3OH+H"	33.033486
"391154"	751.331958	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+K"	38.963158
"748138"	1107.516358	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+K"	38.963158
"1546908"	395.147558	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+K"	38.963158
"304082"	376.169617	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+H+K"	39.970434
"693223"	554.261817	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+H+K"	39.970434
"1448135"	198.077417	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H+K"	39.970434
"250234"	754.402626	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+ACN+H"	42.033826
"1222210"	398.218226	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+ACN+H"	42.033826
"1199908"	199.612751	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+ACN+2H"	43.041102
"199337"	757.33996	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+2Na-H"	44.97116
"642423"	1113.52436	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+2Na-H"	44.97116
"1144955"	401.15556	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2Na-H"	44.97116
"184597"	379.173618	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+2Na"	45.978436
"624155"	557.265818	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+2Na"	45.978436
"1124381"	201.081418	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2Na"	45.978436
"1406807"	134.390037333333	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H+2Na"	46.985712
"1438194"	403.197146	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H+HCOOH"	47.012746
"229712"	384.20664	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+3H2O+2H"	56.04448
"1517772"	417.24919	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+IsoProp+H"	61.06479
"417458"	387.160588	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+Na+K"	61.952376
"777363"	565.252788	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+Na+K"	61.952376
"1672598"	209.068388	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Na+K"	61.952376
"258391"	776.384568	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+ACN+Na"	64.015768
"1232193"	420.200168	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+ACN+Na"	64.015768
"1721810"	420.223693	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+NH4+HCOOH"	64.039293
"1189349"	141.717351333333	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+3Na"	68.967654
"1658150"	425.179088	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Na+HCOOH"	68.994688
"162825"	789.28784	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+2K-H"	76.91904
"602395"	1145.47224	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+2K-H"	76.91904
"1088003"	433.10344	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2K-H"	76.91904
"148098"	395.147558	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"2M+2K"	77.926316
"586566"	573.239758	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"3M+2K"	77.926316
"1075452"	217.055358	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2K"	77.926316
"1105384"	435.117992	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2K+H"	78.933592
"1341767"	435.205607	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+DMSO+H"	79.021207
"1019055"	439.244776	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2ACN+H"	83.060376
"1537178"	440.238408	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+IsoProp+Na+H"	84.054008
"1005540"	220.126026	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+2ACN+2H"	84.067652
"1601296"	441.153028	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+K+HCOOH"	84.968628
"1429724"	471.184538	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+H+CF3COOH"	115.000138
"1162627"	240.639301	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+3ACN+2H"	125.094202
"1712220"	488.211085	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+NH4+CF3COOH"	132.026685
"1646934"	493.16648	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+Na+CF3COOH"	136.98208
"1584772"	509.14042	"C14960"	"1alpha5alpha-Dimercaptoandrostane-3alpha17beta-diol"	"C19H32O2S2"	"356.1844"	"M+K+CF3COOH"	152.95602
"810766"	320.2351	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M"	0
"982111"	301.21671	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"62945"	212.482790666667	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"507725"	319.227824	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"882247"	105.737757333333	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"1915"	319.227824	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"451320"	479.345374	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"828029"	159.110274	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"82553"	639.462924	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"528677"	959.698024	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"902103"	319.227824	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"55388"	656.489471	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"500415"	976.724571	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"877122"	336.254371	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"38463"	661.444866	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"479122"	981.679966	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"858019"	341.209766	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1624271"	341.209766	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"100800"	337.216163	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"535617"	497.333713	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"927677"	177.098613	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"270239"	675.439602	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"661571"	995.674702	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1274704"	355.204502	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"19816"	677.418806	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"457188"	997.653906	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"836080"	357.183706	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1562855"	357.183706	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"948550"	365.233294	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"364945"	685.468401	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"347733"	699.484051	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1500583"	379.248951	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"963749"	387.215251	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"112289"	355.204502	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"560966"	515.322052	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1030859"	195.086952	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1251533"	399.153985	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1310699"	401.209972	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1327099"	423.191929	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"920343"	433.220686	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1293772"	469.197364	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1376308"	285.222424	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1383031"	303.2324	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"284016"	641.477476	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"675827"	961.712576	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1353876"	321.242376	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"128588"	321.242376	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"568878"	481.359926	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1041321"	161.124826	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"208858"	214.497342666667	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"648418"	321.242376	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1164721"	107.752309333333	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"433482"	658.504023	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"798483"	978.739123	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1686062"	338.268923	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"345594"	329.7556495	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"738008"	489.8731995	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1492473"	169.6380995	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"407293"	663.459418	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"768290"	983.694518	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1617894"	343.224318	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"329711"	332.233347	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"720672"	492.350897	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1475950"	172.115797	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1064815"	115.079623333333	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1269773"	353.268586	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"388346"	679.433358	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"749342"	999.668458	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1547018"	359.198258	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"303099"	340.220317	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"692604"	500.337867	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1446787"	180.102767	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"249251"	682.504026	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1220498"	362.268926	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1204392"	181.638101	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"202365"	685.44136	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"642654"	1005.67646	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1144702"	365.20626	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"184707"	343.224318	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"622079"	503.341868	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1122669"	183.106768	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1404731"	122.406937333333	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1436846"	367.247846	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"230915"	348.25734	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1512780"	381.29989	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"418662"	351.211288	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"779659"	511.328838	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1672708"	191.093738	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"258500"	704.485968	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1234124"	384.250868	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1723014"	384.274393	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1189459"	129.734251333333	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1654982"	389.229788	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"161843"	717.38924	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"604680"	1037.62434	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1084824"	397.15414	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"147115"	359.198258	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"584490"	519.315808	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1073376"	199.080708	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1103307"	399.168692	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1342970"	399.256307	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1016978"	403.295476	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1534009"	404.289108	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1005083"	202.151376	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1602136"	405.203728	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1429371"	435.235238	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1162209"	222.664651	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1712449"	452.261785	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1643764"	457.21718	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1584882"	473.19112	"C14961"	"3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"810876"	316.2402	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M"	0
"982221"	297.22181	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"63251"	209.819524	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"508928"	315.232924	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"883450"	104.406124	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"3118"	315.232924	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"452523"	473.353024	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"827046"	157.112824	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"83757"	631.473124	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"521496"	947.713324	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"898933"	315.232924	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"51122"	648.499671	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"492869"	964.739871	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"866052"	332.259471	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"33467"	653.455066	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"474491"	969.695266	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"849743"	337.214866	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1618786"	337.214866	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"94626"	333.221263	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"535480"	491.341363	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"929237"	175.101163	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"269985"	667.449802	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"662774"	983.690002	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1273963"	351.209602	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"21020"	669.429006	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"459485"	985.669206	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"835098"	353.188806	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1564059"	353.188806	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"946474"	361.238394	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"366878"	677.478601	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"347844"	691.494251	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1493761"	375.254051	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"962765"	383.220351	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"112764"	351.209602	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"564723"	509.329702	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1029874"	193.089502	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1251643"	395.159085	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1309716"	397.215072	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1327209"	419.197029	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"919360"	429.225786	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1294975"	465.202464	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1374230"	281.227524	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1382982"	299.2375	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"285948"	633.487676	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"678736"	949.727876	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1351477"	317.247476	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"126516"	317.247476	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"567533"	475.367576	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1040340"	159.127376	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"207147"	211.834076	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"651085"	317.247476	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1167749"	106.420676	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"433586"	650.514223	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"797863"	966.754423	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1685444"	334.274023	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"343574"	325.7607495	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"737702"	483.8808495	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1492498"	167.6406495	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"408338"	655.469618	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"769795"	971.709818	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1618341"	339.229418	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"329578"	328.238447	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"722200"	486.358547	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1476913"	170.118347	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1068169"	113.74799	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1270978"	349.273686	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"392225"	671.443558	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"752371"	987.683758	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1547130"	355.203358	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"303210"	336.225417	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"696724"	494.345517	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1450543"	178.105317	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"250700"	674.514226	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1221338"	358.274026	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1206688"	179.640651	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"201990"	677.45156	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"642888"	993.69176	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1144082"	361.21136	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"184089"	339.229418	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"624378"	497.349518	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1122415"	181.109318	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1405937"	121.075304	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1438052"	363.252946	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"233214"	344.26244	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1516900"	377.30499	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"422055"	347.216388	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"783047"	505.336488	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1673911"	189.096288	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"259339"	696.496168	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1235330"	380.255968	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1722399"	380.279493	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1190299"	128.402618	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1659463"	385.234888	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"165231"	709.39944	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"604792"	1025.63964	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1085299"	393.15924	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"141877"	355.203358	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"585693"	513.323458	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1070567"	197.083258	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1103417"	395.173792	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1339800"	395.261407	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1018181"	399.300576	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1535211"	400.294208	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"1005481"	200.153926	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1602003"	401.208828	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1429727"	431.240338	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1160496"	220.667201	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1712235"	448.266885	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1643874"	453.22228	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1584992"	469.19622	"C14962"	"17-Hydroxy-5alpha17alpha-pregn-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"810987"	400.1158	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M"	0
"981238"	381.09741	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"64373"	265.736590666667	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"505758"	399.108524	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"882466"	132.364657333333	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"2133"	399.108524	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"446071"	599.166424	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"822781"	199.050624	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"83137"	799.224324	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"521970"	1199.340124	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"899771"	399.108524	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"49043"	816.250871	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"491884"	1216.366671	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"867134"	416.135071	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"34305"	821.206266	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"474601"	1221.322066	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"849852"	421.090466	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1619018"	421.090466	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"95914"	417.096863	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"535106"	617.154763	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"928617"	217.038963	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"269000"	835.201002	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"660817"	1235.316802	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1273708"	435.085202	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"20037"	837.180206	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"458502"	1237.296006	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"833222"	437.064406	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1564169"	437.064406	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"948771"	445.113994	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"366258"	845.229801	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"348682"	859.245451	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1495693"	459.129651	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"962142"	467.095951	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"114329"	435.085202	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"552434"	635.143102	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1031077"	235.027302	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1252846"	479.034685	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1312012"	481.090672	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1327319"	503.072629	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"917283"	513.101386	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1298365"	549.078064	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1373247"	365.103124	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1383456"	383.1131	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"287152"	801.238876	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"678482"	1201.354676	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1352276"	401.123076	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"127719"	401.123076	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"568735"	601.180976	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1040813"	201.065176	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"208714"	267.751142666667	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"650102"	401.123076	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1167495"	134.379209333333	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"432603"	818.265423	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"793599"	1218.381223	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1683367"	418.149623	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"336022"	409.6363495	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"727714"	609.6942495	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1483361"	209.5784495	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"398026"	823.220818	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"760847"	1223.336618	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1615876"	423.105018	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"329920"	412.114047	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"722698"	612.171947	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1476905"	212.056147	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1068161"	141.706523333333	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1269632"	433.149286	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"390394"	839.194758	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"751025"	1239.310558	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1548334"	439.078958	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"305507"	420.101017	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"695741"	620.158917	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1451747"	220.043117	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"250203"	842.265426	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1221448"	442.149626	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1204250"	221.578451	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"201858"	845.20276	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"642754"	1245.31856	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1143827"	445.08696	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"181647"	423.105018	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"622301"	623.162918	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1122525"	223.047118	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1406047"	149.033837333333	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1435975"	447.128546	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"230043"	428.13804	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1519197"	461.18059	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"423137"	431.091988	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"783159"	631.149888	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1677302"	231.034088	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"261636"	864.247368	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1236531"	464.131568	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1723234"	464.155093	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1188587"	156.361151333333	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1660665"	469.110488	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"166434"	877.15064	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"603809"	1277.26644	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1088322"	477.03484	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"145146"	439.078958	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"583617"	639.136858	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1072500"	239.021058	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1105713"	479.049392	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1338817"	479.137007	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1013916"	483.176176	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1535321"	484.169808	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"1005426"	242.091726	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1601378"	485.084428	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1429595"	515.115938	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1161700"	262.605001	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1710523"	532.142485	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1643984"	537.09788	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1585102"	553.07182	"C14963"	"2-4-(Acetyloxy)phenyl-5678-tetramethoxy-4H-1-benzopyran-4-one"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"812190"	344.2351	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M"	0
"981348"	325.21671	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"63997"	228.482790666667	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"505868"	343.227824	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"881238"	113.737757333333	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"1513"	343.227824	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"442172"	515.345374	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"819975"	171.110274	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"80696"	687.462924	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"520987"	1031.698024	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"899881"	343.227824	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"50611"	704.489471	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"491994"	1048.724571	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"867244"	360.254371	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"33685"	709.444866	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"474347"	1053.679966	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"849962"	365.209766	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1619128"	365.209766	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"95660"	361.216163	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"535338"	533.333713	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"928121"	189.098613	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"269474"	723.439602	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"661898"	1067.674702	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1273210"	379.204502	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"20146"	725.418806	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"458612"	1069.653906	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"836410"	381.183706	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1558080"	381.183706	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"943532"	389.233294	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"364909"	733.468401	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"347332"	747.484051	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1494711"	403.248951	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"960795"	411.215251	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"111887"	379.204502	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"553637"	551.322052	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1022795"	207.086952	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1247487"	423.153985	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1313214"	425.209972	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1323054"	447.191929	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"916300"	457.220686	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1297382"	493.197364	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1373357"	309.222424	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1384659"	327.2324	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"287262"	689.477476	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"677133"	1033.712576	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1352752"	345.242376	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"127101"	345.242376	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"566414"	517.359926	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1038737"	173.124826	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"209187"	230.497342666667	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"649482"	345.242376	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1167605"	115.752309333333	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"434899"	706.504023	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"795895"	1050.739123	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1683841"	362.268923	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"337225"	353.7556495	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"728917"	525.8731995	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1482378"	181.6380995	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"401051"	711.459418	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"759864"	1055.694518	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1610146"	367.224318	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"321278"	356.233347	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"718811"	528.350897	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1475556"	184.115797	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1065875"	123.079623333333	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1270228"	377.268586	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"387953"	727.433358	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"749674"	1071.668458	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1546257"	383.198258	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"303431"	364.220317	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"696944"	536.337867	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1450764"	192.102767	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"247031"	730.504026	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1224601"	386.268926	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1207280"	193.638101	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"200876"	733.44136	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"642256"	1077.67646	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1145394"	389.20626	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"182851"	367.224318	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"625327"	539.341868	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1122635"	195.106768	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1407250"	130.406937333333	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1436085"	391.247846	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"229059"	372.25734	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1518213"	405.29989	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"422153"	375.211288	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"781081"	547.328838	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1678506"	203.093738	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"261746"	752.485968	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1235551"	408.250868	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1723341"	408.274393	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1187604"	137.734251333333	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1657496"	413.229788	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"158897"	765.38924	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"598821"	1109.62434	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1089160"	421.15414	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"144163"	383.198258	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"584820"	555.315808	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1071517"	211.080708	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1102542"	423.168692	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1340018"	423.256307	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1015119"	427.295476	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1535431"	428.289108	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"1005411"	214.151376	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1601488"	429.203728	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1427876"	459.235238	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1162175"	234.664651	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1710269"	476.261785	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1644094"	481.21718	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1585212"	497.19112	"C14964"	"11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-320-dione"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"813393"	289.0409	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M"	0
"981458"	270.02251	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H2O-H"	-19.01839
"67509"	191.686657333333	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-3H"	-3.021828
"504885"	288.033624	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-3H"	-3.021828
"883779"	95.3396906666667	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-3H"	-3.021828
"4539"	288.033624	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H"	-2.014552
"444104"	432.554074	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H"	-2.014552
"819356"	143.513174	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H"	-2.014552
"79346"	577.074524	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-H"	-1.007276
"520724"	866.115424	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-H"	-1.007276
"897190"	288.033624	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H"	-1.007276
"51088"	594.101071	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H+NH4"	16.019271
"488090"	883.141971	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H+NH4"	16.019271
"865162"	305.060171	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H+NH4"	16.019271
"33673"	599.056466	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H+Na"	20.974666
"476645"	888.097366	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H+Na"	20.974666
"850804"	310.015566	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H+Na"	20.974666
"1621790"	310.015566	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na-2H"	20.974666
"96861"	306.021963	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-H+Cl"	33.962126
"536783"	450.542413	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-H+Cl"	33.962126
"928595"	161.501513	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+Cl"	33.962126
"269220"	613.051202	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Cl"	34.969402
"663102"	902.092102	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+Cl"	34.969402
"1274049"	324.010302	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl"	34.969402
"21349"	615.030406	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M-2H+K"	36.948606
"460909"	904.071306	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M-2H+K"	36.948606
"835428"	325.989506	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-2H+K"	36.948606
"1558919"	325.989506	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K-2H"	36.948606
"944613"	334.039094	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+HCOOH"	44.998194
"363924"	623.080001	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+HCOOH-H"	44.998201
"346467"	637.095651	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Hac-H"	59.013851
"1496642"	348.054751	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Hac-H"	59.013851
"962362"	356.021051	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+NaCOOH"	66.980151
"113090"	324.010302	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2Cl"	69.938804
"551191"	468.530752	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2Cl"	69.938804
"1022540"	179.489852	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2Cl"	69.938804
"1243579"	367.959785	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Br"	78.918885
"1310039"	370.015772	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl+HCOOH"	80.974872
"1322067"	391.997729	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl+NaCOOH"	102.956829
"916409"	402.026486	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M-H+CF3COOH"	112.985586
"1297490"	438.003164	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Cl+CF3COOH"	148.962264
"1375653"	254.028224	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H-2H2O"	-35.012676
"1386589"	272.0382	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H-H2O"	-17.0027
"284453"	579.089076	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H"	1.007276
"675903"	868.129976	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H"	1.007276
"1351760"	290.048176	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H"	1.007276
"126231"	290.048176	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2H"	2.014552
"567492"	434.568626	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2H"	2.014552
"1040665"	145.527726	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2H"	2.014552
"207475"	193.701209333333	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+3H"	3.021828
"645943"	290.048176	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+3H"	3.021828
"1163704"	97.3542426666667	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+3H"	3.021828
"429541"	596.115623	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+NH4"	18.033823
"793818"	885.156523	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+NH4"	18.033823
"1683585"	307.074723	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+NH4"	18.033823
"336239"	298.5614495	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H+NH4"	19.041099
"726838"	443.0818995	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H+NH4"	19.041099
"1481391"	154.0409995	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+NH4"	19.041099
"400067"	601.071018	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Na"	22.989218
"762160"	890.111918	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+Na"	22.989218
"1609163"	312.030118	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na"	22.989218
"320291"	301.039147	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H+Na"	23.996494
"718188"	445.559597	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H+Na"	23.996494
"1476021"	156.518697	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+Na"	23.996494
"1067687"	104.681556666667	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2H+Na"	25.00377
"1270213"	322.074386	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+CH3OH+H"	33.033486
"386600"	617.044958	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+K"	38.963158
"749783"	906.085858	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+K"	38.963158
"1544180"	328.004058	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K"	38.963158
"300625"	309.026117	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+H+K"	39.970434
"692680"	453.546567	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+H+K"	39.970434
"1449782"	164.505667	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+K"	39.970434
"247140"	620.115626	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+ACN+H"	42.033826
"1225201"	331.074726	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+ACN+H"	42.033826
"1208234"	166.041001	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+ACN+2H"	43.041102
"201350"	623.05296	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2Na-H"	44.97116
"642487"	912.09386	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2Na-H"	44.97116
"1145504"	334.01206	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2Na-H"	44.97116
"181868"	312.030118	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2Na"	45.978436
"626775"	456.550568	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2Na"	45.978436
"1123838"	167.509668	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2Na"	45.978436
"1401893"	112.008870666667	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+2Na"	46.985712
"1435101"	336.053646	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+HCOOH"	47.012746
"228075"	317.06314	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+3H2O+2H"	56.04448
"1513949"	350.10569	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+IsoProp+H"	61.06479
"423605"	320.017088	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+Na+K"	61.952376
"780098"	464.537538	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+Na+K"	61.952376
"1676430"	175.496638	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na+K"	61.952376
"260762"	642.097568	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+ACN+Na"	64.015768
"1233474"	353.056668	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+ACN+Na"	64.015768
"1721265"	353.080193	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+NH4+HCOOH"	64.039293
"1187714"	119.336184666667	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+3Na"	68.967654
"1657605"	358.035588	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na+HCOOH"	68.994688
"161194"	655.00084	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2K-H"	76.91904
"598567"	944.04174	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2K-H"	76.91904
"1087084"	365.95994	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2K-H"	76.91904
"146460"	328.004058	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"2M+2K"	77.926316
"586023"	472.524508	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"3M+2K"	77.926316
"1073814"	183.483608	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2K"	77.926316
"1107025"	367.974492	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2K+H"	78.933592
"1341221"	368.062107	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+DMSO+H"	79.021207
"1019481"	372.101276	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2ACN+H"	83.060376
"1538945"	373.094908	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+IsoProp+Na+H"	84.054008
"1005560"	186.554276	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+2ACN+2H"	84.067652
"1602328"	374.009528	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K+HCOOH"	84.968628
"1428715"	404.041038	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+H+CF3COOH"	115.000138
"1162163"	207.067551	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+3ACN+2H"	125.094202
"1712565"	421.067585	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+NH4+CF3COOH"	132.026685
"1644204"	426.02298	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+Na+CF3COOH"	136.98208
"1585322"	441.99692	"C14965"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)methanesulfonamide"	"C14H11NO4S"	"289.0409"	"M+K+CF3COOH"	152.95602
"815689"	377.293	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M"	0
"982661"	358.27461	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-H2O-H"	-19.01839
"68713"	250.521390666667	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M-3H"	-3.021828
"509368"	376.285724	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M-3H"	-3.021828
"887170"	124.757057333333	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-3H"	-3.021828
"4285"	376.285724	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M-2H"	-2.014552
"444214"	564.932224	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M-2H"	-2.014552
"820924"	187.639224	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-2H"	-2.014552
"81278"	753.578724	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M-H"	-1.007276
"521203"	1130.871724	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M-H"	-1.007276
"898638"	376.285724	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-H"	-1.007276
"54843"	770.605271	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M-2H+NH4"	16.019271
"488932"	1147.898271	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M-2H+NH4"	16.019271
"866490"	393.312271	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-2H+NH4"	16.019271
"33663"	775.560666	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M-2H+Na"	20.974666
"480765"	1152.853666	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M-2H+Na"	20.974666
"856382"	398.267666	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-2H+Na"	20.974666
"1621540"	398.267666	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Na-2H"	20.974666
"96974"	394.274063	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M-H+Cl"	33.962126
"536895"	582.920563	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M-H+Cl"	33.962126
"928951"	205.627563	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-H+Cl"	33.962126
"270791"	789.555402	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+Cl"	34.969402
"663578"	1166.848402	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+Cl"	34.969402
"1276709"	412.262402	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Cl"	34.969402
"19271"	791.534606	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M-2H+K"	36.948606
"459923"	1168.827606	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M-2H+K"	36.948606
"834446"	414.241606	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-2H+K"	36.948606
"1557935"	414.241606	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+K-2H"	36.948606
"944237"	422.291194	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-H+HCOOH"	44.998194
"366586"	799.584201	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+HCOOH-H"	44.998201
"348646"	813.599851	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+Hac-H"	59.013851
"1496752"	436.306851	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Hac-H"	59.013851
"962106"	444.273151	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-H+NaCOOH"	66.980151
"114659"	412.262402	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+2Cl"	69.938804
"551303"	600.908902	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+2Cl"	69.938804
"1024474"	223.615902	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2Cl"	69.938804
"1244055"	456.211885	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Br"	78.918885
"1313429"	458.267872	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Cl+HCOOH"	80.974872
"1325458"	480.249829	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Cl+NaCOOH"	102.956829
"919796"	490.278586	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M-H+CF3COOH"	112.985586
"1295412"	526.255264	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Cl+CF3COOH"	148.962264
"1377949"	342.280324	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H-2H2O"	-35.012676
"1388887"	360.2903	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H-H2O"	-17.0027
"287479"	755.593276	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+H"	1.007276
"677351"	1132.886276	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+H"	1.007276
"1353329"	378.300276	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H"	1.007276
"129142"	378.300276	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+2H"	2.014552
"570522"	566.946776	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+2H"	2.014552
"1042601"	189.653776	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2H"	2.014552
"208316"	252.535942666667	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+3H"	3.021828
"646418"	378.300276	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+3H"	3.021828
"1167459"	126.771609333333	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+3H"	3.021828
"429650"	772.619823	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+NH4"	18.033823
"789551"	1149.912823	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+NH4"	18.033823
"1684060"	395.326823	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+NH4"	18.033823
"336349"	386.8135495	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+H+NH4"	19.041099
"725125"	575.4600495	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+H+NH4"	19.041099
"1484780"	198.1670495	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H+NH4"	19.041099
"402364"	777.575218	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+Na"	22.989218
"763363"	1154.868218	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+Na"	22.989218
"1612554"	400.282218	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Na"	22.989218
"323684"	389.291247	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+H+Na"	23.996494
"721824"	577.937747	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+H+Na"	23.996494
"1474307"	200.644747	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H+Na"	23.996494
"1064269"	134.098923333333	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2H+Na"	25.00377
"1271904"	410.326486	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+CH3OH+H"	33.033486
"386710"	793.549158	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+K"	38.963158
"753052"	1170.842158	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+K"	38.963158
"1550852"	416.256158	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+K"	38.963158
"304747"	397.278217	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+H+K"	39.970434
"695343"	585.924717	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+H+K"	39.970434
"1453173"	208.631717	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H+K"	39.970434
"246151"	796.619826	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+ACN+H"	42.033826
"1224335"	419.326826	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+ACN+H"	42.033826
"1208220"	210.167051	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+ACN+2H"	43.041102
"198907"	799.55716	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+2Na-H"	44.97116
"640652"	1176.85016	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+2Na-H"	44.97116
"1145251"	422.26416	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2Na-H"	44.97116
"186717"	400.282218	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+2Na"	45.978436
"627735"	588.928718	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+2Na"	45.978436
"1125042"	211.635718	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2Na"	45.978436
"1405283"	141.426237333333	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H+2Na"	46.985712
"1433389"	424.305746	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H+HCOOH"	47.012746
"227093"	405.31524	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+3H2O+2H"	56.04448
"1517341"	438.35779	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+IsoProp+H"	61.06479
"424105"	408.269188	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+Na+K"	61.952376
"783488"	596.915688	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+Na+K"	61.952376
"1678727"	219.622688	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Na+K"	61.952376
"258321"	818.601768	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+ACN+Na"	64.015768
"1234678"	441.308768	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+ACN+Na"	64.015768
"1721375"	441.332293	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+NH4+HCOOH"	64.039293
"1186730"	148.753551333333	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+3Na"	68.967654
"1653704"	446.287688	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Na+HCOOH"	68.994688
"159117"	831.50504	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+2K-H"	76.91904
"598431"	1208.79804	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+2K-H"	76.91904
"1087193"	454.21204	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2K-H"	76.91904
"145476"	416.256158	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"2M+2K"	77.926316
"591599"	604.902658	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"3M+2K"	77.926316
"1075017"	227.609658	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2K"	77.926316
"1107135"	456.226592	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2K+H"	78.933592
"1340238"	456.314207	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+DMSO+H"	79.021207
"1015339"	460.353376	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2ACN+H"	83.060376
"1534560"	461.347008	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+IsoProp+Na+H"	84.054008
"1005143"	230.680326	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+2ACN+2H"	84.067652
"1600978"	462.261628	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+K+HCOOH"	84.968628
"1426638"	492.293138	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+H+CF3COOH"	115.000138
"1161301"	251.193601	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+3ACN+2H"	125.094202
"1710852"	509.319685	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+NH4+CF3COOH"	132.026685
"1644314"	514.27508	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+Na+CF3COOH"	136.98208
"1585432"	530.24902	"C14966"	"17beta-Bis(2-hydroxyethyl)aminoandrost-5-en-3beta-ol"	"C23H39NO3"	"377.293"	"M+K+CF3COOH"	152.95602
"809239"	325.9265	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M"	0
"982771"	306.90811	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-H2O-H"	-19.01839
"64449"	216.277057333333	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M-3H"	-3.021828
"503360"	324.919224	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M-3H"	-3.021828
"887280"	107.634890666667	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-3H"	-3.021828
"2574"	324.919224	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M-2H"	-2.014552
"443231"	487.882474	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M-2H"	-2.014552
"822127"	161.955974	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-2H"	-2.014552
"80660"	650.845724	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M-H"	-1.007276
"523865"	976.772224	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M-H"	-1.007276
"897656"	324.919224	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-H"	-1.007276
"48021"	667.872271	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M-2H+NH4"	16.019271
"487154"	993.798771	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M-2H+NH4"	16.019271
"866114"	341.945771	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-2H+NH4"	16.019271
"31830"	672.827666	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M-2H+Na"	20.974666
"481968"	998.754166	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M-2H+Na"	20.974666
"853212"	346.901166	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-2H+Na"	20.974666
"1622014"	346.901166	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Na-2H"	20.974666
"95989"	342.907563	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M-H+Cl"	33.962126
"536277"	505.870813	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M-H+Cl"	33.962126
"929426"	179.944313	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-H+Cl"	33.962126
"270901"	686.822402	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+Cl"	34.969402
"661864"	1012.748902	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+Cl"	34.969402
"1274874"	360.895902	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Cl"	34.969402
"19381"	688.801606	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M-2H+K"	36.948606
"458941"	1014.728106	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M-2H+K"	36.948606
"835650"	362.875106	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-2H+K"	36.948606
"1556100"	362.875106	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+K-2H"	36.948606
"943251"	370.924694	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-H+HCOOH"	44.998194
"363416"	696.851201	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+HCOOH-H"	44.998201
"347662"	710.866851	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+Hac-H"	59.013851
"1495403"	384.940351	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Hac-H"	59.013851
"960394"	392.906651	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-H+NaCOOH"	66.980151
"112581"	360.895902	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+2Cl"	69.938804
"550152"	523.859152	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+2Cl"	69.938804
"1022152"	197.932652	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2Cl"	69.938804
"1242707"	404.845385	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Br"	78.918885
"1306979"	406.901372	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Cl+HCOOH"	80.974872
"1323381"	428.883329	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Cl+NaCOOH"	102.956829
"919906"	438.912086	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M-H+CF3COOH"	112.985586
"1294427"	474.888764	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Cl+CF3COOH"	148.962264
"1371499"	290.913824	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H-2H2O"	-35.012676
"1387903"	308.9238	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H-H2O"	-17.0027
"285402"	652.860276	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+H"	1.007276
"676610"	978.786776	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+H"	1.007276
"1351742"	326.933776	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H"	1.007276
"128887"	326.933776	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+2H"	2.014552
"568445"	489.897026	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+2H"	2.014552
"1040159"	163.970526	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2H"	2.014552
"207332"	218.291609333333	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+3H"	3.021828
"646892"	326.933776	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+3H"	3.021828
"1165382"	109.649442666667	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+3H"	3.021828
"427574"	669.886823	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+NH4"	18.033823
"787475"	995.813323	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+NH4"	18.033823
"1683077"	343.960323	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+NH4"	18.033823
"334273"	335.4470495	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+H+NH4"	19.041099
"724506"	498.4102995	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+H+NH4"	19.041099
"1484889"	172.4837995	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H+NH4"	19.041099
"397008"	674.842218	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+Na"	22.989218
"764565"	1000.768718	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+Na"	22.989218
"1611571"	348.915718	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Na"	22.989218
"322700"	337.924747	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+H+Na"	23.996494
"708559"	500.887997	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+H+Na"	23.996494
"1464567"	174.961497	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H+Na"	23.996494
"1065472"	116.976756666667	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2H+Na"	25.00377
"1271526"	358.959986	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+CH3OH+H"	33.033486
"386820"	690.816158	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+K"	38.963158
"752191"	1016.742658	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+K"	38.963158
"1547682"	364.889658	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+K"	38.963158
"305950"	345.911717	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+H+K"	39.970434
"695453"	508.874967	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+H+K"	39.970434
"1453283"	182.948467	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H+K"	39.970434
"247354"	693.886826	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+ACN+H"	42.033826
"1222988"	367.960326	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+ACN+H"	42.033826
"1208329"	184.483801	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+ACN+2H"	43.041102
"199018"	696.82416	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+2Na-H"	44.97116
"640763"	1022.75066	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+2Na-H"	44.97116
"1145359"	370.89766	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2Na-H"	44.97116
"186098"	348.915718	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+2Na"	45.978436
"626751"	511.878968	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+2Na"	45.978436
"1126245"	185.952468	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2Na"	45.978436
"1404300"	124.304070666667	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H+2Na"	46.985712
"1433135"	372.939246	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H+HCOOH"	47.012746
"226107"	353.94874	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+3H2O+2H"	56.04448
"1517450"	386.99129	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+IsoProp+H"	61.06479
"419323"	356.902688	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+Na+K"	61.952376
"781411"	519.865938	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+Na+K"	61.952376
"1679566"	193.939438	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Na+K"	61.952376
"258796"	715.868768	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+ACN+Na"	64.015768
"1234788"	389.942268	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+ACN+Na"	64.015768
"1720392"	389.965793	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+NH4+HCOOH"	64.039293
"1185748"	131.631384666667	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+3Na"	68.967654
"1655637"	394.921188	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Na+HCOOH"	68.994688
"158497"	728.77204	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+2K-H"	76.91904
"597446"	1054.69854	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+2K-H"	76.91904
"1085724"	402.84554	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2K-H"	76.91904
"143633"	364.889658	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"2M+2K"	77.926316
"591709"	527.852908	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"3M+2K"	77.926316
"1076220"	201.926408	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2K"	77.926316
"1109432"	404.860092	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2K+H"	78.933592
"1339619"	404.947707	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+DMSO+H"	79.021207
"1017635"	408.986876	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2ACN+H"	83.060376
"1535763"	409.980508	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+IsoProp+Na+H"	84.054008
"1003914"	204.997076	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+2ACN+2H"	84.067652
"1600724"	410.895128	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+K+HCOOH"	84.968628
"1426746"	440.926638	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+H+CF3COOH"	115.000138
"1162140"	225.510351	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+3ACN+2H"	125.094202
"1710962"	457.953185	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+NH4+CF3COOH"	132.026685
"1644424"	462.90858	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+Na+CF3COOH"	136.98208
"1585542"	478.88252	"C14967"	"1-2-Bromo-1-(4-chlorophenyl)ethenyl-2-chlorobenzene"	"C14H9BrCl2"	"325.9265"	"M+K+CF3COOH"	152.95602
"812629"	362.261	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M"	0
"982881"	343.24261	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-H2O-H"	-19.01839
"64559"	240.500057333333	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M-3H"	-3.021828
"503391"	361.253724	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M-3H"	-3.021828
"884110"	119.746390666667	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-3H"	-3.021828
"2684"	361.253724	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M-2H"	-2.014552
"443341"	542.384224	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M-2H"	-2.014552
"822238"	180.123224	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-2H"	-2.014552
"81499"	723.514724	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M-H"	-1.007276
"522882"	1085.775724	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M-H"	-1.007276
"898130"	361.253724	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-H"	-1.007276
"49222"	740.541271	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M-2H+NH4"	16.019271
"488419"	1102.802271	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M-2H+NH4"	16.019271
"865856"	378.280271	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-2H+NH4"	16.019271
"32908"	745.496666	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M-2H+Na"	20.974666
"480985"	1107.757666	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M-2H+Na"	20.974666
"856602"	383.235666	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-2H+Na"	20.974666
"1621760"	383.235666	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Na-2H"	20.974666
"94516"	379.242063	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M-H+Cl"	33.962126
"535659"	560.372563	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M-H+Cl"	33.962126
"928080"	198.111563	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-H+Cl"	33.962126
"267853"	759.491402	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+Cl"	34.969402
"660516"	1121.752402	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+Cl"	34.969402
"1274012"	397.230402	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Cl"	34.969402
"18398"	761.470606	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M-2H+K"	36.948606
"459051"	1123.731606	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M-2H+K"	36.948606
"835760"	399.209606	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-2H+K"	36.948606
"1558521"	399.209606	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+K-2H"	36.948606
"943481"	407.259194	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-H+HCOOH"	44.998194
"365714"	769.520201	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+HCOOH-H"	44.998201
"349960"	783.535851	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+Hac-H"	59.013851
"1495880"	421.274851	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Hac-H"	59.013851
"960504"	429.241151	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-H+NaCOOH"	66.980151
"111599"	397.230402	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+2Cl"	69.938804
"550431"	578.360902	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+2Cl"	69.938804
"1021576"	216.099902	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2Cl"	69.938804
"1242089"	441.179885	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Br"	78.918885
"1304901"	443.235872	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Cl+HCOOH"	80.974872
"1320449"	465.217829	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Cl+NaCOOH"	102.956829
"913456"	475.246586	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M-H+CF3COOH"	112.985586
"1294536"	511.223264	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Cl+CF3COOH"	148.962264
"1370516"	327.248324	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H-2H2O"	-35.012676
"1387285"	345.2583	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H-H2O"	-17.0027
"286606"	725.529276	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+H"	1.007276
"678303"	1087.790276	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+H"	1.007276
"1355380"	363.268276	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H"	1.007276
"127903"	363.268276	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+2H"	2.014552
"566733"	544.398776	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+2H"	2.014552
"1039177"	182.137776	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2H"	2.014552
"206349"	242.514609333333	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+3H"	3.021828
"644279"	363.268276	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+3H"	3.021828
"1165493"	121.760942666667	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+3H"	3.021828
"426590"	742.555823	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+NH4"	18.033823
"788678"	1104.816823	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+NH4"	18.033823
"1686103"	380.294823	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+NH4"	18.033823
"334383"	371.7815495	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+H+NH4"	19.041099
"723888"	552.9120495	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+H+NH4"	19.041099
"1484999"	190.6510495	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H+NH4"	19.041099
"399304"	747.511218	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+Na"	22.989218
"763582"	1109.772218	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+Na"	22.989218
"1611681"	385.250218	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Na"	22.989218
"323905"	374.259247	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+H+Na"	23.996494
"711950"	555.389747	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+H+Na"	23.996494
"1464677"	193.128747	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H+Na"	23.996494
"1055006"	129.088256666667	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2H+Na"	25.00377
"1270542"	395.294486	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+CH3OH+H"	33.033486
"386930"	763.485158	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+K"	38.963158
"749015"	1125.746158	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+K"	38.963158
"1547791"	401.224158	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+K"	38.963158
"307153"	382.246217	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+H+K"	39.970434
"695199"	563.376717	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+H+K"	39.970434
"1452300"	201.115717	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H+K"	39.970434
"246007"	766.555826	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+ACN+H"	42.033826
"1225372"	404.294826	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+ACN+H"	42.033826
"1209167"	202.651051	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+ACN+2H"	43.041102
"202043"	769.49316	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+2Na-H"	44.97116
"641965"	1131.75416	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+2Na-H"	44.97116
"1141825"	407.23216	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2Na-H"	44.97116
"181104"	385.250218	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+2Na"	45.978436
"622123"	566.380718	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+2Na"	45.978436
"1125263"	204.119718	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2Na"	45.978436
"1404410"	136.415570666667	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H+2Na"	46.985712
"1432515"	409.273746	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H+HCOOH"	47.012746
"226218"	390.28324	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+3H2O+2H"	56.04448
"1519021"	423.32579	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+IsoProp+H"	61.06479
"423936"	393.237188	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+Na+K"	61.952376
"783346"	574.367688	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+Na+K"	61.952376
"1677855"	212.106688	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Na+K"	61.952376
"261093"	788.537768	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+ACN+Na"	64.015768
"1232708"	426.276768	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+ACN+Na"	64.015768
"1720868"	426.300293	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+NH4+HCOOH"	64.039293
"1184766"	143.742884666667	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+3Na"	68.967654
"1655747"	431.255688	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Na+HCOOH"	68.994688
"160430"	801.44104	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+2K-H"	76.91904
"601082"	1163.70204	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+2K-H"	76.91904
"1085835"	439.18004	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2K-H"	76.91904
"145689"	401.224158	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"2M+2K"	77.926316
"589633"	582.354658	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"3M+2K"	77.926316
"1071955"	220.093658	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2K"	77.926316
"1110635"	441.194592	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2K+H"	78.933592
"1340458"	441.282207	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+DMSO+H"	79.021207
"1016651"	445.321376	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2ACN+H"	83.060376
"1534774"	446.315008	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+IsoProp+Na+H"	84.054008
"1004146"	223.164326	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+2ACN+2H"	84.067652
"1600106"	447.229628	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+K+HCOOH"	84.968628
"1428679"	477.261138	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+H+CF3COOH"	115.000138
"1160427"	243.677601	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+3ACN+2H"	125.094202
"1711072"	494.287685	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+NH4+CF3COOH"	132.026685
"1644534"	499.24308	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+Na+CF3COOH"	136.98208
"1585652"	515.21702	"C14968"	"3-(24-Cyclopentadien-1-ylidene)pregn-4-en-20-one"	"C26H34O"	"362.261"	"M+K+CF3COOH"	152.95602
"815656"	316.0947	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M"	0
"986271"	297.07631	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-H2O-H"	-19.01839
"66856"	209.722524	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M-3H"	-3.021828
"504230"	315.087424	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M-3H"	-3.021828
"884220"	104.357624	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-3H"	-3.021828
"2794"	315.087424	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M-2H"	-2.014552
"443451"	473.134774	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M-2H"	-2.014552
"822348"	157.040074	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-2H"	-2.014552
"80515"	631.182124	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M-H"	-1.007276
"522263"	947.276824	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M-H"	-1.007276
"899335"	315.087424	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-H"	-1.007276
"47873"	648.208671	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M-2H+NH4"	16.019271
"487919"	964.303371	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M-2H+NH4"	16.019271
"865478"	332.113971	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-2H+NH4"	16.019271
"32898"	653.164066	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M-2H+Na"	20.974666
"480001"	969.258766	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M-2H+Na"	20.974666
"851245"	337.069366	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-2H+Na"	20.974666
"1619073"	337.069366	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Na-2H"	20.974666
"94710"	333.075763	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M-H+Cl"	33.962126
"534797"	491.123113	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M-H+Cl"	33.962126
"928311"	175.028413	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-H+Cl"	33.962126
"268935"	667.158802	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+Cl"	34.969402
"660748"	983.253502	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+Cl"	34.969402
"1273230"	351.064102	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Cl"	34.969402
"15952"	669.138006	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M-2H+K"	36.948606
"459161"	985.232706	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M-2H+K"	36.948606
"836963"	353.043306	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-2H+K"	36.948606
"1556034"	353.043306	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+K-2H"	36.948606
"943391"	361.092894	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-H+HCOOH"	44.998194
"361933"	677.187601	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+HCOOH-H"	44.998201
"345825"	691.203251	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+Hac-H"	59.013851
"1492754"	375.108551	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Hac-H"	59.013851
"959521"	383.074851	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-H+NaCOOH"	66.980151
"110407"	351.064102	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+2Cl"	69.938804
"550660"	509.111452	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+2Cl"	69.938804
"1021397"	193.016752	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2Cl"	69.938804
"1241345"	395.013585	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Br"	78.918885
"1304641"	397.069572	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Cl+HCOOH"	80.974872
"1320274"	419.051529	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Cl+NaCOOH"	102.956829
"911657"	429.080286	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M-H+CF3COOH"	112.985586
"1294646"	465.056964	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Cl+CF3COOH"	148.962264
"1368681"	281.082024	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H-2H2O"	-35.012676
"1383868"	299.092	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H-H2O"	-17.0027
"284894"	633.196676	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+H"	1.007276
"676831"	949.291376	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+H"	1.007276
"1352328"	317.101976	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H"	1.007276
"125983"	317.101976	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+2H"	2.014552
"565904"	475.149326	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+2H"	2.014552
"1038314"	159.054626	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2H"	2.014552
"205363"	211.737076	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+3H"	3.021828
"644802"	317.101976	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+3H"	3.021828
"1164143"	106.372176	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+3H"	3.021828
"426700"	650.223223	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+NH4"	18.033823
"789881"	966.317923	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+NH4"	18.033823
"1686213"	334.128523	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+NH4"	18.033823
"332304"	325.6152495	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+H+NH4"	19.041099
"724726"	483.6625995	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+H+NH4"	19.041099
"1485109"	167.5678995	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H+NH4"	19.041099
"399414"	655.178618	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+Na"	22.989218
"763694"	971.273318	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+Na"	22.989218
"1613614"	339.083918	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Na"	22.989218
"319639"	328.092947	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+H+Na"	23.996494
"712060"	486.140297	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+H+Na"	23.996494
"1461869"	170.045597	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H+Na"	23.996494
"1053769"	113.69949	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2H+Na"	25.00377
"1261901"	349.128186	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+CH3OH+H"	33.033486
"380475"	671.152558	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+K"	38.963158
"741104"	987.247258	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+K"	38.963158
"1546807"	355.057858	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+K"	38.963158
"306168"	336.079917	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+H+K"	39.970434
"696402"	494.127267	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+H+K"	39.970434
"1456056"	178.032567	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H+K"	39.970434
"247210"	674.223226	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+ACN+H"	42.033826
"1224546"	358.128526	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+ACN+H"	42.033826
"1208182"	179.567901	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+ACN+2H"	43.041102
"201419"	677.16056	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+2Na-H"	44.97116
"640980"	993.25526	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+2Na-H"	44.97116
"1143028"	361.06586	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2Na-H"	44.97116
"180119"	339.083918	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+2Na"	45.978436
"622962"	497.131268	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+2Na"	45.978436
"1124645"	181.036568	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2Na"	45.978436
"1407438"	121.026804	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H+2Na"	46.985712
"1431894"	363.107446	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H+HCOOH"	47.012746
"223050"	344.11694	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+3H2O+2H"	56.04448
"1513297"	377.15949	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+IsoProp+H"	61.06479
"417357"	347.070888	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+Na+K"	61.952376
"780539"	505.118238	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+Na+K"	61.952376
"1676508"	189.023538	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Na+K"	61.952376
"259018"	696.205168	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+ACN+Na"	64.015768
"1232818"	380.110468	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+ACN+Na"	64.015768
"1720614"	380.133993	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+NH4+HCOOH"	64.039293
"1185605"	128.354118	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+3Na"	68.967654
"1653671"	385.089388	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Na+HCOOH"	68.994688
"160539"	709.10844	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+2K-H"	76.91904
"600097"	1025.20314	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+2K-H"	76.91904
"1091169"	393.01374	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2K-H"	76.91904
"142026"	355.057858	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"2M+2K"	77.926316
"582565"	513.105208	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"3M+2K"	77.926316
"1072065"	197.010508	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2K"	77.926316
"1109652"	395.028292	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2K+H"	78.933592
"1340568"	395.115907	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+DMSO+H"	79.021207
"1017854"	399.155076	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2ACN+H"	83.060376
"1534884"	400.148708	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+IsoProp+Na+H"	84.054008
"1004135"	200.081176	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+2ACN+2H"	84.067652
"1601309"	401.063328	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+K+HCOOH"	84.968628
"1428060"	431.094838	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+H+CF3COOH"	115.000138
"1159439"	220.594451	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+3ACN+2H"	125.094202
"1710089"	448.121385	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+NH4+CF3COOH"	132.026685
"1644644"	453.07678	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+Na+CF3COOH"	136.98208
"1585762"	469.05072	"C14969"	"23-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavanone"	"C17H16O6"	"316.0947"	"M+K+CF3COOH"	152.95602
"816130"	322.2508	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M"	0
"989602"	303.23241	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-H2O-H"	-19.01839
"75716"	213.826590666667	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M-3H"	-3.021828
"511996"	321.243524	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M-3H"	-3.021828
"884330"	106.409657333333	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-3H"	-3.021828
"5091"	321.243524	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M-2H"	-2.014552
"449029"	482.368924	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M-2H"	-2.014552
"826833"	160.118124	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-2H"	-2.014552
"82814"	643.494324	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M-H"	-1.007276
"523105"	965.745124	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M-H"	-1.007276
"901633"	321.243524	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-H"	-1.007276
"50174"	660.520871	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M-2H+NH4"	16.019271
"489734"	982.771671	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M-2H+NH4"	16.019271
"868263"	338.270071	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-2H+NH4"	16.019271
"33733"	665.476266	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M-2H+Na"	20.974666
"485458"	987.727066	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M-2H+Na"	20.974666
"857915"	343.225466	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-2H+Na"	20.974666
"1625261"	343.225466	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Na-2H"	20.974666
"101790"	339.231863	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M-H+Cl"	33.962126
"542443"	500.357263	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M-H+Cl"	33.962126
"930489"	178.106463	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-H+Cl"	33.962126
"271234"	679.471002	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+Cl"	34.969402
"661469"	1001.721802	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+Cl"	34.969402
"1274968"	357.220202	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Cl"	34.969402
"21900"	681.450206	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M-2H+K"	36.948606
"456597"	1003.701006	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M-2H+K"	36.948606
"837073"	359.199406	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-2H+K"	36.948606
"1558377"	359.199406	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+K-2H"	36.948606
"946260"	367.248994	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-H+HCOOH"	44.998194
"363380"	689.499801	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+HCOOH-H"	44.998201
"345922"	703.515451	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+Hac-H"	59.013851
"1493664"	381.264651	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Hac-H"	59.013851
"961818"	389.230951	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-H+NaCOOH"	66.980151
"112548"	357.220202	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+2Cl"	69.938804
"551014"	518.345602	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+2Cl"	69.938804
"1021358"	196.094802	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2Cl"	69.938804
"1241941"	401.169685	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Br"	78.918885
"1306937"	403.225672	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Cl+HCOOH"	80.974872
"1324800"	425.207629	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Cl+NaCOOH"	102.956829
"915858"	435.236386	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M-H+CF3COOH"	112.985586
"1290746"	471.213064	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Cl+CF3COOH"	148.962264
"1369274"	287.238124	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H-2H2O"	-35.012676
"1384100"	305.2481	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H-H2O"	-17.0027
"285367"	645.508876	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+H"	1.007276
"676820"	967.759676	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+H"	1.007276
"1353410"	323.258076	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H"	1.007276
"128486"	323.258076	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+2H"	2.014552
"567312"	484.383476	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+2H"	2.014552
"1039394"	162.132676	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2H"	2.014552
"205106"	215.841142666667	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+3H"	3.021828
"646491"	323.258076	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+3H"	3.021828
"1164984"	108.424209333333	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+3H"	3.021828
"433371"	662.535423	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+NH4"	18.033823
"789261"	984.786223	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+NH4"	18.033823
"1688512"	340.284623	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+NH4"	18.033823
"335697"	331.7713495	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+H+NH4"	19.041099
"729211"	492.8967495	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+H+NH4"	19.041099
"1485219"	170.6459495	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H+NH4"	19.041099
"400617"	667.490818	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+Na"	22.989218
"764898"	989.741618	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+Na"	22.989218
"1615184"	345.240018	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Na"	22.989218
"324125"	334.249047	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+H+Na"	23.996494
"715087"	495.374447	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+H+Na"	23.996494
"1464897"	173.123647	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H+Na"	23.996494
"1054491"	115.751523333333	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2H+Na"	25.00377
"1262010"	355.284286	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+CH3OH+H"	33.033486
"380585"	683.464758	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+K"	38.963158
"744861"	1005.715558	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+K"	38.963158
"1550200"	361.213958	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+K"	38.963158
"305187"	342.236017	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+H+K"	39.970434
"698700"	503.361417	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+H+K"	39.970434
"1454710"	181.110617	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H+K"	39.970434
"245498"	686.535426	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+ACN+H"	42.033826
"1220402"	364.284626	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+ACN+H"	42.033826
"1205377"	182.645951	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+ACN+2H"	43.041102
"200436"	689.47276	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+2Na-H"	44.97116
"641094"	1011.72356	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+2Na-H"	44.97116
"1142408"	367.22196	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2Na-H"	44.97116
"179137"	345.240018	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+2Na"	45.978436
"617603"	506.365418	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+2Na"	45.978436
"1124756"	184.114618	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2Na"	45.978436
"1404634"	123.078837333333	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H+2Na"	46.985712
"1434560"	369.263546	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H+HCOOH"	47.012746
"224618"	350.27304	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+3H2O+2H"	56.04448
"1513408"	383.31559	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+IsoProp+H"	61.06479
"415280"	353.226988	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+Na+K"	61.952376
"777368"	514.352388	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+Na+K"	61.952376
"1678072"	192.101588	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Na+K"	61.952376
"256938"	708.517368	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+ACN+Na"	64.015768
"1234023"	386.266568	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+ACN+Na"	64.015768
"1720722"	386.290093	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+NH4+HCOOH"	64.039293
"1183891"	130.406151333333	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+3Na"	68.967654
"1654881"	391.245488	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Na+HCOOH"	68.994688
"161744"	721.42064	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+2K-H"	76.91904
"599480"	1043.67144	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+2K-H"	76.91904
"1088002"	399.16984	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2K-H"	76.91904
"143724"	361.213958	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"2M+2K"	77.926316
"584743"	522.339358	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"3M+2K"	77.926316
"1072175"	200.088558	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2K"	77.926316
"1109762"	401.184392	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2K+H"	78.933592
"1340678"	401.272007	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+DMSO+H"	79.021207
"1017965"	405.311176	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2ACN+H"	83.060376
"1538037"	406.304808	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+IsoProp+Na+H"	84.054008
"1005302"	203.159226	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+2ACN+2H"	84.067652
"1601418"	407.219428	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+K+HCOOH"	84.968628
"1428899"	437.250938	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+H+CF3COOH"	115.000138
"1160644"	223.672501	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+3ACN+2H"	125.094202
"1710199"	454.277485	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+NH4+CF3COOH"	132.026685
"1644754"	459.23288	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+Na+CF3COOH"	136.98208
"1585872"	475.20682	"C14970"	"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta17beta-diol"	"C20H34O3"	"322.2508"	"M+K+CF3COOH"	152.95602
"809678"	307.0456	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M"	0
"976648"	288.02721	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-H2O-H"	-19.01839
"67078"	203.689790666667	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M-3H"	-3.021828
"511012"	306.038324	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M-3H"	-3.021828
"882618"	101.341257333333	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-3H"	-3.021828
"5202"	306.038324	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M-2H"	-2.014552
"449139"	459.561124	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M-2H"	-2.014552
"829129"	152.515524	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-2H"	-2.014552
"80374"	613.083924	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M-H"	-1.007276
"523215"	920.129524	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M-H"	-1.007276
"899922"	306.038324	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-H"	-1.007276
"50284"	630.110471	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M-2H+NH4"	16.019271
"488387"	937.156071	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M-2H+NH4"	16.019271
"865701"	323.064871	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-2H+NH4"	16.019271
"33477"	635.065866	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M-2H+Na"	20.974666
"486581"	942.111466	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M-2H+Na"	20.974666
"861305"	328.020266	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-2H+Na"	20.974666
"1628651"	328.020266	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Na-2H"	20.974666
"101900"	324.026663	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M-H+Cl"	33.962126
"542553"	477.549463	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M-H+Cl"	33.962126
"932788"	170.503863	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-H+Cl"	33.962126
"271344"	649.060602	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+Cl"	34.969402
"663765"	956.106202	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+Cl"	34.969402
"1276171"	342.015002	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Cl"	34.969402
"22010"	651.039806	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M-2H+K"	36.948606
"457437"	958.085406	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M-2H+K"	36.948606
"839370"	343.994206	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-2H+K"	36.948606
"1559581"	343.994206	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+K-2H"	36.948606
"947463"	352.043794	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-H+HCOOH"	44.998194
"363126"	659.089401	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+HCOOH-H"	44.998201
"345876"	673.105051	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+Hac-H"	59.013851
"1493774"	366.059451	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Hac-H"	59.013851
"961564"	374.025751	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-H+NaCOOH"	66.980151
"111929"	342.015002	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+2Cl"	69.938804
"551853"	495.537802	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+2Cl"	69.938804
"1021740"	188.492202	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2Cl"	69.938804
"1241686"	385.964485	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Br"	78.918885
"1306683"	388.020472	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Cl+HCOOH"	80.974872
"1324910"	410.002429	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Cl+NaCOOH"	102.956829
"911962"	420.031186	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M-H+CF3COOH"	112.985586
"1294862"	456.007864	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Cl+CF3COOH"	148.962264
"1370839"	272.032924	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H-2H2O"	-35.012676
"1383967"	290.0429	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H-H2O"	-17.0027
"285476"	615.098476	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+H"	1.007276
"678633"	922.144076	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+H"	1.007276
"1352303"	308.052876	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H"	1.007276
"126772"	308.052876	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+2H"	2.014552
"565774"	461.575676	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+2H"	2.014552
"1038044"	154.530076	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2H"	2.014552
"204972"	205.704342666667	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+3H"	3.021828
"645143"	308.052876	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+3H"	3.021828
"1164727"	103.355809333333	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+3H"	3.021828
"432388"	632.125023	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+NH4"	18.033823
"787914"	939.170623	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+NH4"	18.033823
"1685341"	325.079423	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+NH4"	18.033823
"333620"	316.5661495	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+H+NH4"	19.041099
"728228"	470.0889495	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+H+NH4"	19.041099
"1483142"	163.0433495	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H+NH4"	19.041099
"397447"	637.080418	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+Na"	22.989218
"767922"	944.126018	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+Na"	22.989218
"1615293"	330.034818	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Na"	22.989218
"326057"	319.043847	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+H+Na"	23.996494
"714467"	472.566647	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+H+Na"	23.996494
"1465007"	165.521047	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H+Na"	23.996494
"1054237"	110.683123333333	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2H+Na"	25.00377
"1262119"	340.079086	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+CH3OH+H"	33.033486
"379596"	653.054358	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+K"	38.963158
"740593"	960.099958	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+K"	38.963158
"1550310"	346.008758	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+K"	38.963158
"308578"	327.030817	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+H+K"	39.970434
"699906"	480.553617	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+H+K"	39.970434
"1454820"	173.508017	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H+K"	39.970434
"243421"	656.125026	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+ACN+H"	42.033826
"1223790"	349.079426	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+ACN+H"	42.033826
"1206580"	175.043351	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+ACN+2H"	43.041102
"202368"	659.06236	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+2Na-H"	44.97116
"642179"	966.10796	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+2Na-H"	44.97116
"1142518"	352.01676	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2Na-H"	44.97116
"179247"	330.034818	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+2Na"	45.978436
"623179"	483.557618	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+2Na"	45.978436
"1125594"	176.512018	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2Na"	45.978436
"1403650"	118.010437333333	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H+2Na"	46.985712
"1432118"	354.058346	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H+HCOOH"	47.012746
"220960"	335.06784	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+3H2O+2H"	56.04448
"1512425"	368.11039	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+IsoProp+H"	61.06479
"414298"	338.021788	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+Na+K"	61.952376
"776385"	491.544588	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+Na+K"	61.952376
"1675996"	184.498988	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Na+K"	61.952376
"255956"	678.106968	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+ACN+Na"	64.015768
"1230854"	371.061368	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+ACN+Na"	64.015768
"1720833"	371.084893	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+NH4+HCOOH"	64.039293
"1185094"	125.337751333333	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+3Na"	68.967654
"1656084"	376.040288	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Na+HCOOH"	68.994688
"164040"	691.01024	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+2K-H"	76.91904
"600683"	998.05584	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+2K-H"	76.91904
"1090298"	383.96464	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2K-H"	76.91904
"141762"	346.008758	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"2M+2K"	77.926316
"583759"	499.531558	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"3M+2K"	77.926316
"1072285"	192.485958	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2K"	77.926316
"1106592"	385.979192	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2K+H"	78.933592
"1339695"	386.066807	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+DMSO+H"	79.021207
"1019778"	390.105976	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2ACN+H"	83.060376
"1538268"	391.099608	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+IsoProp+Na+H"	84.054008
"1005207"	195.556626	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+2ACN+2H"	84.067652
"1601528"	392.014228	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+K+HCOOH"	84.968628
"1428646"	422.045738	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+H+CF3COOH"	115.000138
"1161848"	216.069901	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+3ACN+2H"	125.094202
"1711402"	439.072285	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+NH4+CF3COOH"	132.026685
"1644864"	444.02768	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+Na+CF3COOH"	136.98208
"1585982"	460.00162	"C14971"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)-222-trifluoroacetamide"	"C15H8F3NO3"	"307.0456"	"M+K+CF3COOH"	152.95602
"809788"	254.1671	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M"	0
"976758"	235.14871	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-H2O-H"	-19.01839
"64999"	168.437457333333	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M-3H"	-3.021828
"506747"	253.159824	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M-3H"	-3.021828
"885644"	83.7150906666667	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-3H"	-3.021828
"4217"	253.159824	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M-2H"	-2.014552
"442688"	380.243374	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M-2H"	-2.014552
"829239"	126.076274	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-2H"	-2.014552
"79391"	507.326924	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M-H"	-1.007276
"523325"	761.494024	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M-H"	-1.007276
"901126"	253.159824	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-H"	-1.007276
"47843"	524.353471	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M-2H+NH4"	16.019271
"487526"	778.520571	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M-2H+NH4"	16.019271
"865325"	270.186371	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-2H+NH4"	16.019271
"31888"	529.308866	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M-2H+Na"	20.974666
"483612"	783.475966	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M-2H+Na"	20.974666
"861415"	275.141766	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-2H+Na"	20.974666
"1625481"	275.141766	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Na-2H"	20.974666
"102010"	271.148163	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M-H+Cl"	33.962126
"537196"	398.231713	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M-H+Cl"	33.962126
"930711"	144.064613	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-H+Cl"	33.962126
"273641"	543.303602	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+Cl"	34.969402
"663875"	797.470702	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+Cl"	34.969402
"1275187"	289.136502	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Cl"	34.969402
"21026"	545.282806	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M-2H+K"	36.948606
"457790"	799.449906	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M-2H+K"	36.948606
"836199"	291.115706	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-2H+K"	36.948606
"1559691"	291.115706	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+K-2H"	36.948606
"946480"	299.165294	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-H+HCOOH"	44.998194
"361898"	553.332401	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+HCOOH-H"	44.998201
"345890"	567.348051	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+Hac-H"	59.013851
"1492989"	313.180951	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Hac-H"	59.013851
"962767"	321.147251	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-H+NaCOOH"	66.980151
"112768"	289.136502	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+2Cl"	69.938804
"553421"	416.220052	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+2Cl"	69.938804
"1021849"	162.052952	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2Cl"	69.938804
"1241592"	333.085985	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Br"	78.918885
"1306428"	335.141972	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Cl+HCOOH"	80.974872
"1325019"	357.123929	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Cl+NaCOOH"	102.956829
"913892"	367.152686	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M-H+CF3COOH"	112.985586
"1294972"	403.129364	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Cl+CF3COOH"	148.962264
"1370948"	219.154424	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H-2H2O"	-35.012676
"1383712"	237.1644	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H-H2O"	-17.0027
"285586"	509.341476	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+H"	1.007276
"676919"	763.508576	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+H"	1.007276
"1353265"	255.174376	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H"	1.007276
"126883"	255.174376	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+2H"	2.014552
"566446"	382.257926	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+2H"	2.014552
"1037788"	128.090826	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2H"	2.014552
"204842"	170.452009333333	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+3H"	3.021828
"645253"	255.174376	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+3H"	3.021828
"1163868"	85.7296426666667	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+3H"	3.021828
"431404"	526.368023	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+NH4"	18.033823
"787293"	780.535123	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+NH4"	18.033823
"1686544"	272.200923	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+NH4"	18.033823
"334823"	263.6876495	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+H+NH4"	19.041099
"723475"	390.7711995	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+H+NH4"	19.041099
"1483252"	136.6040995	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H+NH4"	19.041099
"397557"	531.323418	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+Na"	22.989218
"767668"	785.490518	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+Na"	22.989218
"1615403"	277.156318	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Na"	22.989218
"325437"	266.165347	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+H+Na"	23.996494
"714577"	393.248897	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+H+Na"	23.996494
"1463172"	139.081797	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H+Na"	23.996494
"1054349"	93.0569566666667	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2H+Na"	25.00377
"1259670"	287.200586	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+CH3OH+H"	33.033486
"378491"	547.297358	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+K"	38.963158
"739976"	801.464458	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+K"	38.963158
"1550420"	293.130258	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+K"	38.963158
"308324"	274.152317	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+H+K"	39.970434
"700016"	401.235867	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+H+K"	39.970434
"1454930"	147.068767	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H+K"	39.970434
"243531"	550.368026	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+ACN+H"	42.033826
"1222807"	296.200926	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+ACN+H"	42.033826
"1204504"	148.604101	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+ACN+2H"	43.041102
"201745"	553.30536	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+2Na-H"	44.97116
"642405"	807.47246	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+2Na-H"	44.97116
"1143722"	299.13826	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2Na-H"	44.97116
"178263"	277.156318	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+2Na"	45.978436
"622196"	404.239868	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+2Na"	45.978436
"1124976"	150.072768	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2Na"	45.978436
"1403760"	100.384270666667	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H+2Na"	46.985712
"1431133"	301.179846	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H+HCOOH"	47.012746
"221433"	282.18934	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+3H2O+2H"	56.04448
"1511442"	315.23189	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+IsoProp+H"	61.06479
"414408"	285.143288	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+Na+K"	61.952376
"777587"	412.226838	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+Na+K"	61.952376
"1676106"	158.059738	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Na+K"	61.952376
"260439"	572.349968	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+ACN+Na"	64.015768
"1229869"	318.182868	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+ACN+Na"	64.015768
"1716932"	318.206393	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+NH4+HCOOH"	64.039293
"1183018"	107.711584666667	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+3Na"	68.967654
"1652182"	323.161788	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Na+HCOOH"	68.994688
"159411"	585.25324	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+2K-H"	76.91904
"597998"	839.42034	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+2K-H"	76.91904
"1088585"	331.08614	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2K-H"	76.91904
"141501"	293.130258	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"2M+2K"	77.926316
"583141"	420.213808	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"3M+2K"	77.926316
"1071302"	166.046708	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2K"	77.926316
"1105609"	333.100692	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2K+H"	78.933592
"1340898"	333.188307	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+DMSO+H"	79.021207
"1020130"	337.227476	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2ACN+H"	83.060376
"1539107"	338.221108	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+IsoProp+Na+H"	84.054008
"1003856"	169.117376	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+2ACN+2H"	84.067652
"1601274"	339.135728	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+K+HCOOH"	84.968628
"1426203"	369.167238	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+H+CF3COOH"	115.000138
"1157583"	189.630651	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+3ACN+2H"	125.094202
"1710784"	386.193785	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+NH4+CF3COOH"	132.026685
"1644974"	391.14918	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+Na+CF3COOH"	136.98208
"1586092"	407.12312	"C14972"	"3-Deoxyestrone;Adopron;Estra-135(10)-trien-17-one"	"C18H22O"	"254.1671"	"M+K+CF3COOH"	152.95602
"809898"	376.2072	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M"	0
"980148"	357.18881	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-H2O-H"	-19.01839
"68390"	249.797524	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M-3H"	-3.021828
"506857"	375.199924	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M-3H"	-3.021828
"886847"	124.395124	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-3H"	-3.021828
"3234"	375.199924	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M-2H"	-2.014552
"451550"	563.303524	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M-2H"	-2.014552
"824978"	187.096324	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-2H"	-2.014552
"80594"	751.407124	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M-H"	-1.007276
"520517"	1127.614324	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M-H"	-1.007276
"900144"	375.199924	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-H"	-1.007276
"49409"	768.433671	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M-2H+NH4"	16.019271
"489337"	1144.640871	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M-2H+NH4"	16.019271
"871877"	392.226471	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-2H+NH4"	16.019271
"32603"	773.389066	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M-2H+Na"	20.974666
"483721"	1149.596266	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M-2H+Na"	20.974666
"858245"	397.181866	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-2H+Na"	20.974666
"1625591"	397.181866	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Na-2H"	20.974666
"102120"	393.188263	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M-H+Cl"	33.962126
"546054"	581.291863	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M-H+Cl"	33.962126
"930821"	205.084663	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-H+Cl"	33.962126
"270472"	787.383802	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+Cl"	34.969402
"663985"	1163.591002	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+Cl"	34.969402
"1275297"	411.176602	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Cl"	34.969402
"18950"	789.363006	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M-2H+K"	36.948606
"461790"	1165.570206	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M-2H+K"	36.948606
"832940"	413.155806	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-2H+K"	36.948606
"1559801"	413.155806	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+K-2H"	36.948606
"944767"	421.205394	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-H+HCOOH"	44.998194
"361642"	797.412601	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+HCOOH-H"	44.998201
"345761"	811.428251	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+Hac-H"	59.013851
"1492937"	435.221051	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Hac-H"	59.013851
"962877"	443.187351	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-H+NaCOOH"	66.980151
"113971"	411.176602	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+2Cl"	69.938804
"553166"	599.280202	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+2Cl"	69.938804
"1021556"	223.073002	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2Cl"	69.938804
"1241401"	455.126085	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Br"	78.918885
"1305447"	457.182072	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Cl+HCOOH"	80.974872
"1321850"	479.164029	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Cl+NaCOOH"	102.956829
"912547"	489.192786	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M-H+CF3COOH"	112.985586
"1292896"	525.169464	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Cl+CF3COOH"	148.962264
"1368873"	341.194524	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H-2H2O"	-35.012676
"1384551"	359.2045	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H-H2O"	-17.0027
"285696"	753.421676	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+H"	1.007276
"677759"	1129.628876	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+H"	1.007276
"1352038"	377.214476	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H"	1.007276
"126385"	377.214476	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+2H"	2.014552
"566553"	565.318076	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+2H"	2.014552
"1038507"	189.110876	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2H"	2.014552
"205071"	251.812076	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+3H"	3.021828
"646092"	377.214476	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+3H"	3.021828
"1164582"	126.409676	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+3H"	3.021828
"427141"	770.448223	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+NH4"	18.033823
"786310"	1146.655423	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+NH4"	18.033823
"1686654"	394.241023	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+NH4"	18.033823
"332747"	385.7277495	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+H+NH4"	19.041099
"723014"	573.8313495	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+H+NH4"	19.041099
"1477529"	197.6241495	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H+NH4"	19.041099
"395481"	775.403618	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+Na"	22.989218
"768021"	1151.610818	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+Na"	22.989218
"1615879"	399.196418	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Na"	22.989218
"325549"	388.205447	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+H+Na"	23.996494
"716874"	576.309047	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+H+Na"	23.996494
"1463040"	200.101847	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H+Na"	23.996494
"1052802"	133.73699	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2H+Na"	25.00377
"1257184"	409.240686	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+CH3OH+H"	33.033486
"377669"	791.377558	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+K"	38.963158
"739114"	1167.584758	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+K"	38.963158
"1550530"	415.170358	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+K"	38.963158
"307340"	396.192417	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+H+K"	39.970434
"699030"	584.296017	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+H+K"	39.970434
"1453947"	208.088817	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H+K"	39.970434
"245829"	794.448226	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+ACN+H"	42.033826
"1223646"	418.241026	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+ACN+H"	42.033826
"1203519"	209.624151	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+ACN+2H"	43.041102
"199668"	797.38556	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+2Na-H"	44.97116
"642880"	1173.59276	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+2Na-H"	44.97116
"1144197"	421.17836	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2Na-H"	44.97116
"179466"	399.196418	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+2Na"	45.978436
"622673"	587.300018	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+2Na"	45.978436
"1125450"	211.092818	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2Na"	45.978436
"1403870"	141.064304	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H+2Na"	46.985712
"1430192"	423.219946	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H+HCOOH"	47.012746
"221306"	404.22944	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+3H2O+2H"	56.04448
"1514833"	437.27199	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+IsoProp+H"	61.06479
"412331"	407.183388	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+Na+K"	61.952376
"775511"	595.286988	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+Na+K"	61.952376
"1675123"	219.079788	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Na+K"	61.952376
"259456"	816.430168	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+ACN+Na"	64.015768
"1232165"	440.222968	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+ACN+Na"	64.015768
"1721053"	440.246493	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+NH4+HCOOH"	64.039293
"1185318"	148.391618	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+3Na"	68.967654
"1651563"	445.201888	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Na+HCOOH"	68.994688
"158427"	829.33344	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+2K-H"	76.91904
"599444"	1205.54064	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+2K-H"	76.91904
"1089425"	453.12624	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2K-H"	76.91904
"141613"	415.170358	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"2M+2K"	77.926316
"583250"	603.273958	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"3M+2K"	77.926316
"1068970"	227.066758	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2K"	77.926316
"1106812"	455.140792	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2K+H"	78.933592
"1339915"	455.228407	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+DMSO+H"	79.021207
"1018296"	459.267576	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2ACN+H"	83.060376
"1538853"	460.261208	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+IsoProp+Na+H"	84.054008
"1002871"	230.137426	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+2ACN+2H"	84.067652
"1599562"	461.175828	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+K+HCOOH"	84.968628
"1427406"	491.207338	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+H+CF3COOH"	115.000138
"1155506"	250.650701	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+3ACN+2H"	125.094202
"1710531"	508.233885	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+NH4+CF3COOH"	132.026685
"1645084"	513.18928	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+Na+CF3COOH"	136.98208
"1586202"	529.16322	"C14973"	"17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate"	"C22H32O3S"	"376.2072"	"M+K+CF3COOH"	152.95602
"813288"	358.2144	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M"	0
"979165"	339.19601	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M-H2O-H"	-19.01839
"69595"	237.802324	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M-3H"	-3.021828
"506967"	357.207124	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M-3H"	-3.021828
"886957"	118.397524	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M-3H"	-3.021828
"6626"	357.207124	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M-2H"	-2.014552
"453846"	536.314324	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M-2H"	-2.014552
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"490173"	1090.662471	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M-2H+NH4"	16.019271
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"483831"	1095.617866	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M-2H+Na"	20.974666
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"1625701"	379.189066	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+Na-2H"	20.974666
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"539603"	554.302663	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M-H+Cl"	33.962126
"933118"	196.088263	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M-H+Cl"	33.962126
"277142"	751.398202	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+Cl"	34.969402
"666283"	1109.612602	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+Cl"	34.969402
"1274314"	393.183802	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+Cl"	34.969402
"25621"	753.377406	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M-2H+K"	36.948606
"462994"	1111.591806	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M-2H+K"	36.948606
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"1556386"	395.163006	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+K-2H"	36.948606
"943784"	403.212594	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M-H+HCOOH"	44.998194
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"346609"	775.442651	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+Hac-H"	59.013851
"1493046"	417.228251	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+Hac-H"	59.013851
"959338"	425.194551	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M-H+NaCOOH"	66.980151
"110431"	393.183802	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+2Cl"	69.938804
"552912"	572.291002	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+2Cl"	69.938804
"1022073"	214.076602	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+2Cl"	69.938804
"1243113"	437.133285	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+Br"	78.918885
"1304829"	439.189272	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+Cl+HCOOH"	80.974872
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"646941"	359.221676	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+3H"	3.021828
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"424576"	734.462623	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+NH4"	18.033823
"788247"	1092.677023	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+NH4"	18.033823
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"333949"	367.7349495	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+H+NH4"	19.041099
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"1478731"	188.6277495	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+H+NH4"	19.041099
"395591"	739.418018	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+Na"	22.989218
"763148"	1097.632418	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+Na"	22.989218
"1609059"	381.203618	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+Na"	22.989218
"327120"	370.212647	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+H+Na"	23.996494
"715891"	549.319847	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+H+Na"	23.996494
"1463878"	191.105447	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+H+Na"	23.996494
"1052818"	127.73939	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+2H+Na"	25.00377
"1257460"	391.247886	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+CH3OH+H"	33.033486
"377406"	755.391958	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+K"	38.963158
"739466"	1113.606358	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+K"	38.963158
"1550275"	397.177558	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+K"	38.963158
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"699140"	557.306817	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+H+K"	39.970434
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"248125"	758.462626	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+ACN+H"	42.033826
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"1202535"	200.627751	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+ACN+2H"	43.041102
"199778"	761.39996	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"2M+2Na-H"	44.97116
"641172"	1119.61436	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+2Na-H"	44.97116
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"776715"	568.297788	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"3M+Na+K"	61.952376
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"1425332"	473.214538	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+H+CF3COOH"	115.000138
"1158897"	241.654301	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+3ACN+2H"	125.094202
"1710636"	490.241085	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+NH4+CF3COOH"	132.026685
"1641912"	495.19648	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+Na+CF3COOH"	136.98208
"1586312"	511.17042	"C14974"	"3-Methoxy-16-methylestra-135(10)-triene-16beta17beta-diol 17-acetate"	"C22H30O4"	"358.2144"	"M+K+CF3COOH"	152.95602
"815952"	292.2402	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M"	0
"979276"	273.22181	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"68611"	193.819524	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"504891"	291.232924	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"881963"	96.406124	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"12209"	291.232924	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"452865"	437.353024	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"827384"	145.112824	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"85189"	583.473124	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"521466"	875.713324	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"897931"	291.232924	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"50359"	600.499671	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"488824"	892.739871	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"865408"	308.259471	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"32457"	605.455066	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"472628"	897.695266	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"852993"	313.214866	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1633711"	313.214866	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"102340"	309.221263	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"548827"	455.341363	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"939791"	163.101163	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"280533"	619.449802	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"664208"	911.690002	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1277704"	327.209602	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"24639"	621.429006	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"464198"	913.669206	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"835437"	329.188806	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1558563"	329.188806	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"944987"	337.238394	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"363201"	629.478601	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"350002"	643.494251	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1494824"	351.254051	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"963096"	359.220351	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"113091"	327.209602	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"554116"	473.329702	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1024008"	181.089502	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1243587"	371.159085	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1304330"	373.215072	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1320981"	395.197029	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"912039"	405.225786	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1288942"	441.202464	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1367633"	257.227524	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1386594"	275.2375	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"284824"	585.487676	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"678346"	877.727876	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1356152"	293.247476	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"133417"	293.247476	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"568601"	439.367576	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1039221"	147.127376	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"206395"	195.834076	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"645956"	293.247476	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1164810"	98.420676	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"425293"	602.514223	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"788356"	894.754423	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1684685"	310.274023	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"331873"	301.7607495	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"726481"	447.8808495	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1479208"	155.6406495	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"395700"	607.469618	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"755604"	899.709818	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1608076"	315.229418	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"328564"	304.238447	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"712720"	450.358547	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1465447"	158.118347	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1054320"	105.74799	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1258178"	325.273686	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"377843"	623.443558	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"740669"	915.683758	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1554882"	331.203358	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"310110"	312.225417	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"704359"	458.345517	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1460614"	166.105317	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"247146"	626.514226	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1223874"	334.274026	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1207027"	167.640651	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"199892"	629.45156	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"642376"	921.69176	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1145519"	337.21136	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"184064"	315.229418	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"623623"	461.349518	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1128955"	169.109318	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1409925"	113.075304	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1442040"	339.252946	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"225902"	320.26244	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1511776"	353.30499	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"411461"	323.216388	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"773548"	469.336488	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1676437"	177.096288	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"261865"	648.496168	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1232389"	356.255968	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1720181"	356.279493	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1187725"	120.402618	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1651056"	361.234888	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"158647"	661.39944	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"598936"	953.63964	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1086363"	369.15924	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"141959"	331.203358	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"583107"	477.323458	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1069442"	185.083258	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1104846"	371.173792	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1345607"	371.261407	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1020579"	375.300576	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1538104"	376.294208	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"1003091"	188.153926	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1599783"	377.208828	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1425443"	407.240338	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1161926"	208.667201	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1711478"	424.266885	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1648583"	429.22228	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1586422"	445.19622	"C14975"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"813509"	346.2508	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M"	0
"976470"	327.23241	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-H2O-H"	-19.01839
"64347"	229.826590666667	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M-3H"	-3.021828
"506094"	345.243524	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M-3H"	-3.021828
"882437"	114.409657333333	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-3H"	-3.021828
"13412"	345.243524	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M-2H"	-2.014552
"454636"	518.368924	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M-2H"	-2.014552
"828587"	172.118124	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-2H"	-2.014552
"85299"	691.494324	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M-H"	-1.007276
"520482"	1037.745124	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M-H"	-1.007276
"898649"	345.243524	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-H"	-1.007276
"49497"	708.520871	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M-2H+NH4"	16.019271
"488934"	1054.771671	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M-2H+NH4"	16.019271
"866128"	362.270071	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-2H+NH4"	16.019271
"33299"	713.476266	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M-2H+Na"	20.974666
"472617"	1059.727066	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M-2H+Na"	20.974666
"852010"	367.225466	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-2H+Na"	20.974666
"1634063"	367.225466	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Na-2H"	20.974666
"102449"	363.231863	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M-H+Cl"	33.962126
"548572"	536.357263	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M-H+Cl"	33.962126
"939900"	190.106463	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-H+Cl"	33.962126
"282346"	727.471002	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+Cl"	34.969402
"665411"	1073.721802	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+Cl"	34.969402
"1281094"	381.220202	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Cl"	34.969402
"23656"	729.450206	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M-2H+K"	36.948606
"464308"	1075.701006	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M-2H+K"	36.948606
"837734"	383.199406	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-2H+K"	36.948606
"1558306"	383.199406	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+K-2H"	36.948606
"946920"	391.248994	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-H+HCOOH"	44.998194
"364040"	737.499801	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+HCOOH-H"	44.998201
"351208"	751.515451	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+Hac-H"	59.013851
"1496757"	405.264651	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Hac-H"	59.013851
"963207"	413.230951	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-H+NaCOOH"	66.980151
"112840"	381.220202	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+2Cl"	69.938804
"553497"	554.345602	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+2Cl"	69.938804
"1024847"	208.094802	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2Cl"	69.938804
"1244061"	425.169685	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Br"	78.918885
"1305416"	427.225672	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Cl+HCOOH"	80.974872
"1320118"	449.207629	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Cl+NaCOOH"	102.956829
"914337"	459.236386	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M-H+CF3COOH"	112.985586
"1289460"	495.213064	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Cl+CF3COOH"	148.962264
"1368110"	311.238124	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H-2H2O"	-35.012676
"1387799"	329.2481	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H-H2O"	-17.0027
"284934"	693.508876	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+H"	1.007276
"677362"	1039.759676	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+H"	1.007276
"1351885"	347.258076	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H"	1.007276
"133527"	347.258076	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+2H"	2.014552
"567253"	520.383476	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+2H"	2.014552
"1038238"	174.132676	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2H"	2.014552
"209785"	231.841142666667	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+3H"	3.021828
"646795"	347.258076	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+3H"	3.021828
"1164556"	116.424209333333	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+3H"	3.021828
"425646"	710.535423	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+NH4"	18.033823
"787372"	1056.786223	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+NH4"	18.033823
"1682243"	364.284623	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+NH4"	18.033823
"332347"	355.7713495	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+H+NH4"	19.041099
"726591"	528.8967495	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+H+NH4"	19.041099
"1478952"	182.6459495	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H+NH4"	19.041099
"397997"	715.490818	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+Na"	22.989218
"757900"	1061.741618	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+Na"	22.989218
"1608186"	369.240018	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Na"	22.989218
"328065"	358.249047	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+H+Na"	23.996494
"717205"	531.374447	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+H+Na"	23.996494
"1468839"	185.123647	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H+Na"	23.996494
"1058805"	123.751523333333	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2H+Na"	25.00377
"1262669"	379.284286	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+CH3OH+H"	33.033486
"380513"	731.464758	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+K"	38.963158
"741508"	1077.715558	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+K"	38.963158
"1548668"	385.213958	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+K"	38.963158
"301470"	366.236017	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+H+K"	39.970434
"697171"	539.361417	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+H+K"	39.970434
"1456467"	193.110617	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H+K"	39.970434
"243970"	734.535426	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+ACN+H"	42.033826
"1223620"	388.284626	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+ACN+H"	42.033826
"1207496"	194.645951	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+ACN+2H"	43.041102
"195627"	737.47276	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+2Na-H"	44.97116
"642002"	1083.72356	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+2Na-H"	44.97116
"1145505"	391.22196	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2Na-H"	44.97116
"185997"	369.240018	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+2Na"	45.978436
"624826"	542.365418	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+2Na"	45.978436
"1129428"	196.114618	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2Na"	45.978436
"1410400"	131.078837333333	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H+2Na"	46.985712
"1440691"	393.263546	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H+HCOOH"	47.012746
"227106"	374.27304	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+3H2O+2H"	56.04448
"1514075"	407.31559	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+IsoProp+H"	61.06479
"415947"	377.226988	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+Na+K"	61.952376
"776942"	550.352388	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+Na+K"	61.952376
"1677279"	204.101588	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Na+K"	61.952376
"265622"	756.517368	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+ACN+Na"	64.015768
"1236872"	410.266568	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+ACN+Na"	64.015768
"1723571"	410.290093	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+NH4+HCOOH"	64.039293
"1190022"	138.406151333333	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+3Na"	68.967654
"1653352"	415.245488	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Na+HCOOH"	68.994688
"160215"	769.42064	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+2K-H"	76.91904
"601961"	1115.67144	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+2K-H"	76.91904
"1086473"	423.16984	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2K-H"	76.91904
"142314"	385.213958	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"2M+2K"	77.926316
"585039"	558.339358	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"3M+2K"	77.926316
"1070645"	212.088558	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2K"	77.926316
"1102765"	425.184392	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2K+H"	78.933592
"1338053"	425.272007	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+DMSO+H"	79.021207
"1007552"	429.311176	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2ACN+H"	83.060376
"1529090"	430.304808	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+IsoProp+Na+H"	84.054008
"992258"	215.159226	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+2ACN+2H"	84.067652
"1600981"	431.219428	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+K+HCOOH"	84.968628
"1425551"	461.250938	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+H+CF3COOH"	115.000138
"1161670"	235.672501	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+3ACN+2H"	125.094202
"1709761"	478.277485	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+NH4+CF3COOH"	132.026685
"1647599"	483.23288	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+Na+CF3COOH"	136.98208
"1586532"	499.20682	"C14976"	"3alpha21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one"	"C22H34O3"	"346.2508"	"M+K+CF3COOH"	152.95602
"813619"	336.2664	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M"	0
"979496"	317.24801	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-H2O-H"	-19.01839
"64211"	223.170324	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M-3H"	-3.021828
"504988"	335.259124	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M-3H"	-3.021828
"881696"	111.081524	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-3H"	-3.021828
"13522"	335.259124	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M-2H"	-2.014552
"454177"	503.392324	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M-2H"	-2.014552
"827604"	167.125924	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-2H"	-2.014552
"88689"	671.525524	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M-H"	-1.007276
"520960"	1007.791924	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M-H"	-1.007276
"898394"	335.259124	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-H"	-1.007276
"48516"	688.552071	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M-2H+NH4"	16.019271
"489410"	1024.818471	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M-2H+NH4"	16.019271
"865389"	352.285671	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-2H+NH4"	16.019271
"31708"	693.507466	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M-2H+Na"	20.974666
"473945"	1029.773866	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M-2H+Na"	20.974666
"853213"	357.241066	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-2H+Na"	20.974666
"1626029"	357.241066	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Na-2H"	20.974666
"99279"	353.247463	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M-H+Cl"	33.962126
"539934"	521.380663	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M-H+Cl"	33.962126
"929076"	185.114263	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-H+Cl"	33.962126
"270910"	707.502202	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+Cl"	34.969402
"664427"	1043.768602	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+Cl"	34.969402
"1276830"	371.235802	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Cl"	34.969402
"19392"	709.481406	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M-2H+K"	36.948606
"462231"	1045.747806	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M-2H+K"	36.948606
"837844"	373.215006	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-2H+K"	36.948606
"1557685"	373.215006	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+K-2H"	36.948606
"944839"	381.264594	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-H+HCOOH"	44.998194
"363419"	717.531001	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+HCOOH-H"	44.998201
"348397"	731.546651	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+Hac-H"	59.013851
"1495774"	395.280251	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Hac-H"	59.013851
"963681"	403.246551	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-H+NaCOOH"	66.980151
"115137"	371.235802	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+2Cl"	69.938804
"553242"	539.369002	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+2Cl"	69.938804
"1024593"	203.102602	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2Cl"	69.938804
"1242713"	415.185285	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Br"	78.918885
"1305892"	417.241272	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Cl+HCOOH"	80.974872
"1320146"	439.223229	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Cl+NaCOOH"	102.956829
"915905"	449.251986	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M-H+CF3COOH"	112.985586
"1289083"	485.228664	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Cl+CF3COOH"	148.962264
"1367245"	301.253724	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H-2H2O"	-35.012676
"1386816"	319.2637	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H-H2O"	-17.0027
"285408"	673.540076	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+H"	1.007276
"677468"	1009.806476	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+H"	1.007276
"1351623"	337.273676	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H"	1.007276
"126824"	337.273676	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+2H"	2.014552
"566097"	505.406876	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+2H"	2.014552
"1037980"	169.140476	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2H"	2.014552
"205638"	225.184876	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+3H"	3.021828
"646172"	337.273676	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+3H"	3.021828
"1165391"	113.096076	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+3H"	3.021828
"426850"	690.566623	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+NH4"	18.033823
"786994"	1026.833023	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+NH4"	18.033823
"1685268"	354.300223	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+NH4"	18.033823
"332093"	345.7869495	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+H+NH4"	19.041099
"726700"	513.9201495	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+H+NH4"	19.041099
"1481247"	177.6537495	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H+NH4"	19.041099
"395189"	695.522018	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+Na"	22.989218
"756915"	1031.788418	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+Na"	22.989218
"1607203"	359.255618	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Na"	22.989218
"325988"	348.264647	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+H+Na"	23.996494
"718408"	516.397847	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+H+Na"	23.996494
"1470042"	180.131447	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H+Na"	23.996494
"1056728"	120.42339	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2H+Na"	25.00377
"1261685"	369.299886	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+CH3OH+H"	33.033486
"380622"	711.495958	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+K"	38.963158
"740526"	1047.762358	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+K"	38.963158
"1548778"	375.229558	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+K"	38.963158
"304860"	356.251617	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+H+K"	39.970434
"697282"	524.384817	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+H+K"	39.970434
"1447207"	188.118417	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H+K"	39.970434
"238242"	714.566626	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+ACN+H"	42.033826
"1224087"	378.300226	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+ACN+H"	42.033826
"1203959"	189.653751	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+ACN+2H"	43.041102
"196830"	717.50396	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+2Na-H"	44.97116
"642597"	1053.77036	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+2Na-H"	44.97116
"1146464"	381.23756	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2Na-H"	44.97116
"185376"	359.255618	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+2Na"	45.978436
"624936"	527.388818	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+2Na"	45.978436
"1129174"	191.122418	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2Na"	45.978436
"1409780"	127.750704	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H+2Na"	46.985712
"1440801"	383.279146	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H+HCOOH"	47.012746
"227216"	364.28864	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+3H2O+2H"	56.04448
"1516372"	397.33119	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+IsoProp+H"	61.06479
"419337"	367.242588	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+Na+K"	61.952376
"780332"	535.375788	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+Na+K"	61.952376
"1675568"	199.109388	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Na+K"	61.952376
"263909"	736.548568	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+ACN+Na"	64.015768
"1239171"	400.282168	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+ACN+Na"	64.015768
"1725869"	400.305693	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+NH4+HCOOH"	64.039293
"1189038"	135.078018	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+3Na"	68.967654
"1654556"	405.261088	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Na+HCOOH"	68.994688
"161419"	749.45184	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+2K-H"	76.91904
"602073"	1085.71824	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+2K-H"	76.91904
"1086583"	413.18544	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2K-H"	76.91904
"144493"	375.229558	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"2M+2K"	77.926316
"584783"	543.362758	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"3M+2K"	77.926316
"1071848"	207.096358	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2K"	77.926316
"1102875"	415.199992	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2K+H"	78.933592
"1338162"	415.287607	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+DMSO+H"	79.021207
"1007784"	419.326776	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2ACN+H"	83.060376
"1527378"	420.320408	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+IsoProp+Na+H"	84.054008
"995649"	210.167026	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+2ACN+2H"	84.067652
"1601091"	421.235028	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+K+HCOOH"	84.968628
"1426755"	451.266538	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+H+CF3COOH"	115.000138
"1162266"	230.680301	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+3ACN+2H"	125.094202
"1710964"	468.293085	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+NH4+CF3COOH"	132.026685
"1647709"	473.24848	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+Na+CF3COOH"	136.98208
"1586642"	489.22242	"C14977"	"2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta17beta-diol"	"C21H36O3"	"336.2664"	"M+K+CF3COOH"	152.95602
"807168"	334.2508	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M"	0
"977421"	315.23241	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H2O-H"	-19.01839
"63838"	221.826590666667	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-3H"	-3.021828
"503398"	333.243524	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-3H"	-3.021828
"886308"	110.409657333333	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-3H"	-3.021828
"12175"	333.243524	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H"	-2.014552
"454287"	500.368924	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H"	-2.014552
"827714"	166.118124	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H"	-2.014552
"88799"	667.494324	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-H"	-1.007276
"521799"	1001.745124	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-H"	-1.007276
"899600"	333.243524	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H"	-1.007276
"48870"	684.520871	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H+NH4"	16.019271
"488792"	1018.771671	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H+NH4"	16.019271
"866959"	350.270071	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H+NH4"	16.019271
"33401"	689.476266	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H+Na"	20.974666
"472233"	1023.727066	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H+Na"	20.974666
"850406"	355.225466	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H+Na"	20.974666
"1626139"	355.225466	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na-2H"	20.974666
"105949"	351.231863	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-H+Cl"	33.962126
"546604"	518.357263	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-H+Cl"	33.962126
"934653"	184.106463	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+Cl"	33.962126
"271022"	703.471002	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Cl"	34.969402
"664537"	1037.721802	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+Cl"	34.969402
"1279127"	369.220202	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl"	34.969402
"19501"	705.450206	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H+K"	36.948606
"459060"	1039.701006	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H+K"	36.948606
"837959"	371.199406	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H+K"	36.948606
"1557310"	371.199406	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K-2H"	36.948606
"945317"	379.248994	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+HCOOH"	44.998194
"364260"	713.499801	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+HCOOH-H"	44.998201
"346684"	727.515451	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Hac-H"	59.013851
"1495884"	393.264651	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Hac-H"	59.013851
"964887"	401.230951	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+NaCOOH"	66.980151
"112331"	369.220202	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2Cl"	69.938804
"553716"	536.345602	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2Cl"	69.938804
"1022515"	202.094802	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2Cl"	69.938804
"1244282"	413.169685	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Br"	78.918885
"1306002"	415.225672	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl+HCOOH"	80.974872
"1320217"	437.207629	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl+NaCOOH"	102.956829
"912370"	447.236386	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+CF3COOH"	112.985586
"1288832"	483.213064	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl+CF3COOH"	148.962264
"1367233"	299.238124	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H-2H2O"	-35.012676
"1388020"	317.2481	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H-H2O"	-17.0027
"289895"	669.508876	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H"	1.007276
"677579"	1003.759676	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H"	1.007276
"1355022"	335.258076	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H"	1.007276
"134836"	335.258076	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2H"	2.014552
"568929"	502.383476	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2H"	2.014552
"1039188"	168.132676	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2H"	2.014552
"205629"	223.841142666667	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+3H"	3.021828
"644502"	335.258076	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+3H"	3.021828
"1163682"	112.424209333333	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+3H"	3.021828
"425017"	686.535423	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+NH4"	18.033823
"786134"	1020.786223	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+NH4"	18.033823
"1681465"	352.284623	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+NH4"	18.033823
"332202"	343.7713495	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H+NH4"	19.041099
"725716"	510.8967495	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H+NH4"	19.041099
"1479537"	176.6459495	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+NH4"	19.041099
"396027"	691.490818	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Na"	22.989218
"755932"	1025.741618	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+Na"	22.989218
"1607313"	357.240018	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na"	22.989218
"327191"	346.249047	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H+Na"	23.996494
"720222"	513.374447	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H+Na"	23.996494
"1473068"	179.123647	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+Na"	23.996494
"1060118"	119.751523333333	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2H+Na"	25.00377
"1259609"	367.284286	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+CH3OH+H"	33.033486
"379276"	707.464758	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+K"	38.963158
"743552"	1041.715558	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+K"	38.963158
"1543785"	373.213958	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K"	38.963158
"300595"	354.236017	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H+K"	39.970434
"694108"	521.361417	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H+K"	39.970434
"1448656"	187.110617	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+K"	39.970434
"238353"	710.535426	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+ACN+H"	42.033826
"1214709"	376.284626	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+ACN+H"	42.033826
"1206622"	188.645951	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+ACN+2H"	43.041102
"199123"	713.47276	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2Na-H"	44.97116
"643072"	1047.72356	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2Na-H"	44.97116
"1146897"	379.22196	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2Na-H"	44.97116
"186581"	357.240018	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2Na"	45.978436
"623953"	524.365418	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2Na"	45.978436
"1129283"	190.114618	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2Na"	45.978436
"1409891"	127.078837333333	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+2Na"	46.985712
"1442005"	381.263546	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+HCOOH"	47.012746
"234617"	362.27304	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+3H2O+2H"	56.04448
"1520856"	395.31559	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+IsoProp+H"	61.06479
"419448"	365.226988	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Na+K"	61.952376
"778256"	532.352388	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+Na+K"	61.952376
"1677866"	198.101588	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na+K"	61.952376
"261468"	732.517368	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+ACN+Na"	64.015768
"1237094"	398.266568	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+ACN+Na"	64.015768
"1723794"	398.290093	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+NH4+HCOOH"	64.039293
"1190242"	134.406151333333	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+3Na"	68.967654
"1653938"	403.245488	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na+HCOOH"	68.994688
"162987"	745.42064	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2K-H"	76.91904
"603278"	1079.67144	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2K-H"	76.91904
"1088880"	411.16984	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2K-H"	76.91904
"150071"	373.213958	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2K"	77.926316
"584529"	540.339358	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2K"	77.926316
"1070500"	206.088558	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2K"	77.926316
"1104078"	413.184392	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2K+H"	78.933592
"1339001"	413.272007	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+DMSO+H"	79.021207
"1007530"	417.311176	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2ACN+H"	83.060376
"1527124"	418.304808	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+IsoProp+Na+H"	84.054008
"992478"	209.159226	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2ACN+2H"	84.067652
"1602173"	419.219428	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K+HCOOH"	84.968628
"1421391"	449.250938	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+CF3COOH"	115.000138
"1161527"	229.672501	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+3ACN+2H"	125.094202
"1711077"	466.277485	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+NH4+CF3COOH"	132.026685
"1648913"	471.23288	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na+CF3COOH"	136.98208
"1573628"	487.20682	"C14978"	"17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K+CF3COOH"	152.95602
"803998"	344.3079	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M"	0
"978624"	325.28951	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-H2O-H"	-19.01839
"63585"	228.531324	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M-3H"	-3.021828
"503873"	343.300624	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M-3H"	-3.021828
"886418"	113.762024	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-3H"	-3.021828
"12649"	343.300624	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M-2H"	-2.014552
"453183"	515.454574	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M-2H"	-2.014552
"827824"	171.146674	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-2H"	-2.014552
"85629"	687.608524	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M-H"	-1.007276
"520816"	1031.916424	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M-H"	-1.007276
"896914"	343.300624	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-H"	-1.007276
"50071"	704.635071	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M-2H+NH4"	16.019271
"490724"	1048.942971	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M-2H+NH4"	16.019271
"867433"	360.327171	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-2H+NH4"	16.019271
"33146"	709.590466	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M-2H+Na"	20.974666
"471977"	1053.898366	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M-2H+Na"	20.974666
"850152"	365.282566	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-2H+Na"	20.974666
"1621144"	365.282566	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Na-2H"	20.974666
"95487"	361.288963	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M-H+Cl"	33.962126
"541247"	533.442913	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M-H+Cl"	33.962126
"932574"	189.135013	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-H+Cl"	33.962126
"273316"	723.585202	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+Cl"	34.969402
"666834"	1067.893102	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+Cl"	34.969402
"1279237"	379.277302	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Cl"	34.969402
"19610"	725.564406	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M-2H+K"	36.948606
"458077"	1069.872306	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M-2H+K"	36.948606
"838064"	381.256506	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-2H+K"	36.948606
"1557180"	381.256506	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+K-2H"	36.948606
"945063"	389.306094	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-H+HCOOH"	44.998194
"365465"	733.614001	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+HCOOH-H"	44.998201
"346917"	747.629651	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+Hac-H"	59.013851
"1494535"	403.321751	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Hac-H"	59.013851
"966090"	411.288051	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-H+NaCOOH"	66.980151
"113899"	379.277302	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+2Cl"	69.938804
"553463"	551.431252	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+2Cl"	69.938804
"1021897"	207.123352	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2Cl"	69.938804
"1242321"	423.226785	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Br"	78.918885
"1305019"	425.282772	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Cl+HCOOH"	80.974872
"1320445"	447.264729	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Cl+NaCOOH"	102.956829
"913573"	457.293486	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M-H+CF3COOH"	112.985586
"1288770"	493.270164	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Cl+CF3COOH"	148.962264
"1367255"	309.295224	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H-2H2O"	-35.012676
"1387037"	327.3052	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H-H2O"	-17.0027
"290005"	689.623076	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+H"	1.007276
"677690"	1033.930976	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+H"	1.007276
"1357685"	345.315176	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H"	1.007276
"134947"	345.315176	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+2H"	2.014552
"568311"	517.469126	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+2H"	2.014552
"1039298"	173.161226	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2H"	2.014552
"205011"	230.545876	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+3H"	3.021828
"646030"	345.315176	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+3H"	3.021828
"1164156"	115.776576	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+3H"	3.021828
"426707"	706.649623	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+NH4"	18.033823
"786609"	1050.957523	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+NH4"	18.033823
"1683305"	362.341723	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+NH4"	18.033823
"333405"	353.8284495	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+H+NH4"	19.041099
"729105"	525.9823995	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+H+NH4"	19.041099
"1480739"	181.6744995	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H+NH4"	19.041099
"396137"	711.605018	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+Na"	22.989218
"757135"	1055.912918	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+Na"	22.989218
"1607422"	367.297118	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Na"	22.989218
"327301"	356.306147	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+H+Na"	23.996494
"718630"	528.460097	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+H+Na"	23.996494
"1470262"	184.152197	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H+Na"	23.996494
"1055855"	123.10389	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2H+Na"	25.00377
"1260813"	377.341386	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+CH3OH+H"	33.033486
"381572"	727.578958	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+K"	38.963158
"740743"	1071.886858	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+K"	38.963158
"1545718"	383.271058	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+K"	38.963158
"302525"	364.293117	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+H+K"	39.970434
"695311"	536.447067	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+H+K"	39.970434
"1448036"	192.139167	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H+K"	39.970434
"238826"	730.649626	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+ACN+H"	42.033826
"1214819"	386.341726	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+ACN+H"	42.033826
"1205268"	193.674501	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+ACN+2H"	43.041102
"198140"	733.58696	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+2Na-H"	44.97116
"642818"	1077.89486	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+2Na-H"	44.97116
"1146564"	389.27906	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2Na-H"	44.97116
"184503"	367.297118	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+2Na"	45.978436
"624063"	539.451068	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+2Na"	45.978436
"1128664"	195.143168	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2Na"	45.978436
"1408907"	130.431204	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H+2Na"	46.985712
"1439928"	391.320646	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H+HCOOH"	47.012746
"233998"	372.33014	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+3H2O+2H"	56.04448
"1511489"	405.37269	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+IsoProp+H"	61.06479
"420651"	375.284088	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+Na+K"	61.952376
"780553"	547.438038	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+Na+K"	61.952376
"1674696"	203.130138	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Na+K"	61.952376
"259756"	752.631568	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+ACN+Na"	64.015768
"1235018"	408.323668	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+ACN+Na"	64.015768
"1725725"	408.347193	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+NH4+HCOOH"	64.039293
"1190352"	137.758518	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+3Na"	68.967654
"1655141"	413.302588	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Na+HCOOH"	68.994688
"161640"	765.53484	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+2K-H"	76.91904
"602658"	1109.84274	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+2K-H"	76.91904
"1091177"	421.22694	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2K-H"	76.91904
"144713"	383.271058	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"2M+2K"	77.926316
"585369"	555.425008	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"3M+2K"	77.926316
"1069881"	211.117108	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2K"	77.926316
"1104188"	423.241492	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2K+H"	78.933592
"1338383"	423.329107	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+DMSO+H"	79.021207
"1007640"	427.368276	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2ACN+H"	83.060376
"1530514"	428.361908	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+IsoProp+Na+H"	84.054008
"993679"	214.187776	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+2ACN+2H"	84.067652
"1599124"	429.276528	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+K+HCOOH"	84.968628
"1421501"	459.308038	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+H+CF3COOH"	115.000138
"1160545"	234.701051	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+3ACN+2H"	125.094202
"1711188"	476.334585	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+NH4+CF3COOH"	132.026685
"1647930"	481.28998	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+Na+CF3COOH"	136.98208
"1574831"	497.26392	"C14979"	"3beta-Cyclopentyl-5alpha-androstan-17beta-ol"	"C24H40O"	"344.3079"	"M+K+CF3COOH"	152.95602
"807388"	318.2195	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M"	0
"976547"	299.20111	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"64301"	211.139057333333	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"503739"	317.212224	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"886528"	105.065890666667	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"10574"	317.212224	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"453050"	476.321974	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"827934"	158.102474	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"87926"	635.431724	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"522019"	953.651224	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"899820"	317.212224	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"49821"	652.458271	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"491200"	970.677771	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"869003"	334.238771	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"34350"	657.413666	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"474276"	975.633166	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"849003"	339.194166	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1620890"	339.194166	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"95233"	335.200563	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"541358"	494.310313	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"932684"	176.090813	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"272333"	671.408402	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"669130"	989.627902	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1279348"	353.188902	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"16722"	673.387606	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"457335"	991.607106	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"837081"	355.168106	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1556803"	355.168106	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"944443"	363.217694	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"364116"	681.437201	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"346542"	695.452851	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1493429"	377.233351	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"961093"	385.199651	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"111823"	353.188902	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"553937"	512.298652	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1023464"	194.079152	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1241660"	397.138385	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1304519"	399.194372	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1321166"	421.176329	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"912590"	431.205086	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1291119"	467.181764	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1368916"	283.206824	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1387511"	301.2168	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"285009"	637.446276	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"677435"	955.665776	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1357793"	319.226776	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"130683"	319.226776	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"568421"	478.336526	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1039044"	160.117026	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"204878"	213.153609333333	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"645897"	319.226776	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1163659"	107.080442666667	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"425724"	654.472823	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"788905"	972.692323	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1684143"	336.253323	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"333516"	327.7400495	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"728123"	486.8497995	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1480849"	168.6302995	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"399527"	659.428218	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"757245"	977.647718	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1606439"	341.208718	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"320851"	330.217747	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"717646"	489.327497	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1470372"	171.107997	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1059244"	114.407756666667	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1258733"	351.252986	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"383869"	675.402158	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"740850"	993.621658	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1543641"	357.182658	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"301543"	338.204717	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"695785"	497.314467	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1450332"	179.094967	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"239667"	678.472826	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1213471"	360.253326	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1198818"	180.630301	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"191687"	681.41016	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"641102"	999.62966	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1142784"	363.19066	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"181334"	341.208718	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"624173"	500.318468	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1126585"	182.098968	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1410109"	121.735070666667	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1436757"	365.232246	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"228640"	346.24174	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1514515"	379.28429	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"417481"	349.195688	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"778476"	508.305438	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1674806"	190.085938	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"260595"	700.454768	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1235128"	382.235268	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1724013"	382.258793	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1190462"	129.062384666667	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1656345"	387.214188	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"162842"	713.35804	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"603861"	1031.57754	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1092381"	395.13854	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"142757"	357.182658	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"582683"	516.292408	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1071814"	198.072908	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1105391"	397.153092	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1339586"	397.240707	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1007143"	401.279876	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1529530"	402.273508	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"993789"	201.143576	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1601420"	403.188128	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1419424"	433.219638	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1159561"	221.656851	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1712027"	450.246185	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1648040"	455.20158	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1573848"	471.17552	"C14980"	"16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-317-dione"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"813696"	320.2515	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M"	0
"976657"	301.23311	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-H2O-H"	-19.01839
"64533"	212.493724	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M-3H"	-3.021828
"504458"	319.244224	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M-3H"	-3.021828
"886638"	105.743224	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-3H"	-3.021828
"14939"	319.244224	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M-2H"	-2.014552
"454499"	479.369974	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M-2H"	-2.014552
"831692"	159.118474	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-2H"	-2.014552
"89129"	639.495724	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M-H"	-1.007276
"525409"	959.747224	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M-H"	-1.007276
"899931"	319.244224	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-H"	-1.007276
"52119"	656.522271	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M-2H+NH4"	16.019271
"489247"	976.773771	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M-2H+NH4"	16.019271
"868021"	336.270771	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-2H+NH4"	16.019271
"34464"	661.477666	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M-2H+Na"	20.974666
"473663"	981.729166	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M-2H+Na"	20.974666
"859124"	341.226166	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-2H+Na"	20.974666
"1629749"	341.226166	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Na-2H"	20.974666
"101904"	337.232563	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M-H+Cl"	33.962126
"543654"	497.358313	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M-H+Cl"	33.962126
"937169"	177.106813	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-H+Cl"	33.962126
"277912"	675.472402	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+Cl"	34.969402
"670333"	995.723902	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+Cl"	34.969402
"1281644"	355.220902	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Cl"	34.969402
"18737"	677.451606	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M-2H+K"	36.948606
"457809"	997.703106	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M-2H+K"	36.948606
"838284"	357.200106	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-2H+K"	36.948606
"1558493"	357.200106	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+K-2H"	36.948606
"944917"	365.249694	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-H+HCOOH"	44.998194
"367145"	685.501201	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+HCOOH-H"	44.998201
"347382"	699.516851	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+Hac-H"	59.013851
"1497673"	379.265351	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Hac-H"	59.013851
"960841"	387.231651	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-H+NaCOOH"	66.980151
"114120"	355.220902	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+2Cl"	69.938804
"550764"	515.346652	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+2Cl"	69.938804
"1021629"	195.095152	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2Cl"	69.938804
"1241568"	399.170385	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Br"	78.918885
"1306331"	401.226372	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Cl+HCOOH"	80.974872
"1321275"	423.208329	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Cl+NaCOOH"	102.956829
"912455"	433.237086	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M-H+CF3COOH"	112.985586
"1290135"	469.213764	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Cl+CF3COOH"	148.962264
"1370849"	285.238824	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H-2H2O"	-35.012676
"1383364"	303.2488	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H-H2O"	-17.0027
"283329"	641.510276	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+H"	1.007276
"677663"	961.761776	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+H"	1.007276
"1351940"	321.258776	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H"	1.007276
"125924"	321.258776	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+2H"	2.014552
"565848"	481.384526	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+2H"	2.014552
"1037322"	161.133026	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2H"	2.014552
"204858"	214.508276	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+3H"	3.021828
"645514"	321.258776	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+3H"	3.021828
"1163769"	107.757776	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+3H"	3.021828
"430205"	658.536823	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+NH4"	18.033823
"793389"	978.788323	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+NH4"	18.033823
"1690811"	338.285323	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+NH4"	18.033823
"339088"	329.7720495	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+H+NH4"	19.041099
"729323"	489.8977995	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+H+NH4"	19.041099
"1486427"	169.6462995	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H+NH4"	19.041099
"404011"	663.492218	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+Na"	22.989218
"759540"	983.743718	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+Na"	22.989218
"1609826"	343.240718	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Na"	22.989218
"319865"	332.249747	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+H+Na"	23.996494
"713380"	492.375497	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+H+Na"	23.996494
"1468292"	172.123997	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H+Na"	23.996494
"1057164"	115.08509	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2H+Na"	25.00377
"1262124"	353.284986	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+CH3OH+H"	33.033486
"381791"	679.466158	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+K"	38.963158
"742055"	999.717658	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+K"	38.963158
"1540582"	359.214658	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+K"	38.963158
"300555"	340.236717	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+H+K"	39.970434
"694797"	500.362467	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+H+K"	39.970434
"1447890"	180.110967	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H+K"	39.970434
"239042"	682.536826	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+ACN+H"	42.033826
"1214670"	362.285326	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+ACN+H"	42.033826
"1199285"	181.646301	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+ACN+2H"	43.041102
"192522"	685.47416	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+2Na-H"	44.97116
"637924"	1005.72566	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+2Na-H"	44.97116
"1141429"	365.22266	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2Na-H"	44.97116
"180346"	343.240718	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+2Na"	45.978436
"620999"	503.366468	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+2Na"	45.978436
"1124504"	183.114968	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2Na"	45.978436
"1402563"	122.412404	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H+2Na"	46.985712
"1434678"	367.264246	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H+HCOOH"	47.012746
"224373"	348.27374	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+3H2O+2H"	56.04448
"1512436"	381.31629	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+IsoProp+H"	61.06479
"410660"	351.227688	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+Na+K"	61.952376
"771657"	511.353438	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+Na+K"	61.952376
"1673819"	191.101938	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Na+K"	61.952376
"262523"	704.518768	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+ACN+Na"	64.015768
"1235236"	384.267268	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+ACN+Na"	64.015768
"1719748"	384.290793	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+NH4+HCOOH"	64.039293
"1188385"	129.739718	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+3Na"	68.967654
"1656091"	389.246188	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Na+HCOOH"	68.994688
"161859"	717.42204	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+2K-H"	76.91904
"604699"	1037.67354	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+2K-H"	76.91904
"1091398"	397.17054	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2K-H"	76.91904
"146026"	359.214658	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"2M+2K"	77.926316
"582062"	519.340408	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"3M+2K"	77.926316
"1069003"	199.088908	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2K"	77.926316
"1101852"	399.185092	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2K+H"	78.933592
"1339693"	399.272707	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+DMSO+H"	79.021207
"1006279"	403.311876	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2ACN+H"	83.060376
"1528541"	404.305508	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+IsoProp+Na+H"	84.054008
"993896"	202.159576	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+2ACN+2H"	84.067652
"1591686"	405.220128	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+K+HCOOH"	84.968628
"1415886"	435.251638	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+H+CF3COOH"	115.000138
"1161490"	222.672851	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+3ACN+2H"	125.094202
"1704843"	452.278185	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+NH4+CF3COOH"	132.026685
"1642681"	457.23358	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+Na+CF3COOH"	136.98208
"1571892"	473.20752	"C14981"	"3beta-Fluoro-5beta-pregnan-20-one"	"C21H33FO"	"320.2515"	"M+K+CF3COOH"	152.95602
"815264"	320.2715	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M"	0
"975674"	301.25311	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H2O-H"	-19.01839
"65009"	212.507057333333	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-3H"	-3.021828
"511132"	319.264224	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-3H"	-3.021828
"886748"	105.749890666667	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-3H"	-3.021828
"15172"	319.264224	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H"	-2.014552
"455629"	479.399974	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H"	-2.014552
"831438"	159.128474	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H"	-2.014552
"88146"	639.535724	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-H"	-1.007276
"527706"	959.807224	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-H"	-1.007276
"900041"	319.264224	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H"	-1.007276
"50041"	656.562271	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+NH4"	16.019271
"488872"	976.833771	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+NH4"	16.019271
"867037"	336.290771	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+NH4"	16.019271
"33117"	661.517666	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+Na"	20.974666
"483986"	981.789166	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+Na"	20.974666
"859234"	341.246166	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+Na"	20.974666
"1627674"	341.246166	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na-2H"	20.974666
"103109"	337.252563	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-H+Cl"	33.962126
"541578"	497.388313	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-H+Cl"	33.962126
"937278"	177.116813	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+Cl"	33.962126
"274742"	675.512402	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Cl"	34.969402
"667163"	995.783902	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Cl"	34.969402
"1276290"	355.240902	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl"	34.969402
"16414"	677.491606	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+K"	36.948606
"457677"	997.763106	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+K"	36.948606
"836210"	357.220106	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+K"	36.948606
"1557508"	357.220106	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K-2H"	36.948606
"943202"	365.269694	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+HCOOH"	44.998194
"363243"	685.541201	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+HCOOH-H"	44.998201
"348221"	699.556851	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Hac-H"	59.013851
"1498512"	379.285351	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Hac-H"	59.013851
"959856"	387.251651	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+NaCOOH"	66.980151
"110582"	355.240902	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Cl"	69.938804
"550388"	515.376652	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Cl"	69.938804
"1023683"	195.105152	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Cl"	69.938804
"1242045"	399.190385	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Br"	78.918885
"1307898"	401.246372	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+HCOOH"	80.974872
"1325395"	423.228329	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+NaCOOH"	102.956829
"913172"	433.257086	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+CF3COOH"	112.985586
"1292068"	469.233764	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+CF3COOH"	148.962264
"1370593"	285.258824	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H-2H2O"	-35.012676
"1383024"	303.2688	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H-H2O"	-17.0027
"285960"	641.550276	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H"	1.007276
"679477"	961.821776	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H"	1.007276
"1352179"	321.278776	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H"	1.007276
"128716"	321.278776	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2H"	2.014552
"565676"	481.414526	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2H"	2.014552
"1038536"	161.143026	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2H"	2.014552
"204488"	214.521609333333	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H"	3.021828
"644533"	321.278776	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+3H"	3.021828
"1173602"	107.764442666667	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3H"	3.021828
"434689"	658.576823	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+NH4"	18.033823
"795685"	978.848323	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+NH4"	18.033823
"1689830"	338.305323	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4"	18.033823
"339199"	329.7920495	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+NH4"	19.041099
"731621"	489.9277995	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+NH4"	19.041099
"1484347"	169.6562995	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+NH4"	19.041099
"397564"	663.532218	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na"	22.989218
"760743"	983.803718	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na"	22.989218
"1604588"	343.260718	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na"	22.989218
"322161"	332.269747	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+Na"	23.996494
"713490"	492.405497	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+Na"	23.996494
"1468400"	172.133997	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+Na"	23.996494
"1057272"	115.091756666667	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2H+Na"	25.00377
"1260407"	353.304986	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+CH3OH+H"	33.033486
"378618"	679.506158	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+K"	38.963158
"739370"	999.777658	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+K"	38.963158
"1547139"	359.234658	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K"	38.963158
"300302"	340.256717	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+K"	39.970434
"693086"	500.392467	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+K"	39.970434
"1448365"	180.120967	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+K"	39.970434
"240251"	682.576826	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+H"	42.033826
"1212966"	362.305326	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+H"	42.033826
"1197213"	181.656301	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+2H"	43.041102
"194094"	685.51416	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na-H"	44.97116
"638035"	1005.78566	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na-H"	44.97116
"1140812"	365.24266	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na-H"	44.97116
"174501"	343.260718	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na"	45.978436
"617829"	503.396468	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na"	45.978436
"1122795"	183.124968	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na"	45.978436
"1399998"	122.419070666667	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+2Na"	46.985712
"1431991"	367.284246	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+HCOOH"	47.012746
"222293"	348.29374	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H2O+2H"	56.04448
"1513269"	381.33629	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+H"	61.06479
"416603"	351.247688	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na+K"	61.952376
"778692"	511.383438	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na+K"	61.952376
"1671744"	191.111938	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+K"	61.952376
"253525"	704.558768	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+Na"	64.015768
"1227693"	384.287268	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+Na"	64.015768
"1718766"	384.310793	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+HCOOH"	64.039293
"1187402"	129.746384666667	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3Na"	68.967654
"1652191"	389.266188	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+HCOOH"	68.994688
"159782"	717.46204	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K-H"	76.91904
"601529"	1037.73354	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K-H"	76.91904
"1086040"	397.19054	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K-H"	76.91904
"145043"	359.234658	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K"	77.926316
"583149"	519.370408	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K"	77.926316
"1070577"	199.098908	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K"	77.926316
"1103424"	399.205092	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K+H"	78.933592
"1340175"	399.292707	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+DMSO+H"	79.021207
"1007243"	403.331876	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+H"	83.060376
"1528654"	404.325508	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+Na+H"	84.054008
"994013"	202.169576	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+2H"	84.067652
"1589610"	405.240128	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K+HCOOH"	84.968628
"1421832"	435.271638	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+CF3COOH"	115.000138
"1154309"	222.682851	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3ACN+2H"	125.094202
"1702767"	452.298185	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+CF3COOH"	132.026685
"1639511"	457.25358	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+CF3COOH"	136.98208
"1571636"	473.22752	"C14982"	"6beta17-Dimethyl-5alpha-androstane-3beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K+CF3COOH"	152.95602
"813186"	318.1831	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M"	0
"975784"	299.16471	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H2O-H"	-19.01839
"63005"	211.114790666667	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-3H"	-3.021828
"506869"	317.175824	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-3H"	-3.021828
"884671"	105.053757333333	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-3H"	-3.021828
"15242"	317.175824	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H"	-2.014552
"455083"	476.267374	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H"	-2.014552
"830455"	158.084274	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H"	-2.014552
"88256"	635.358924	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-H"	-1.007276
"524536"	953.542024	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-H"	-1.007276
"900151"	317.175824	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H"	-1.007276
"50515"	652.385471	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H+NH4"	16.019271
"488253"	970.568571	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H+NH4"	16.019271
"866421"	334.202371	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H+NH4"	16.019271
"32618"	657.340866	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H+Na"	20.974666
"482274"	975.523966	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H+Na"	20.974666
"859344"	339.157766	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H+Na"	20.974666
"1626690"	339.157766	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na-2H"	20.974666
"96657"	335.164163	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-H+Cl"	33.962126
"541688"	494.255713	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-H+Cl"	33.962126
"934108"	176.072613	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+Cl"	33.962126
"267720"	671.335602	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Cl"	34.969402
"669460"	989.518702	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+Cl"	34.969402
"1276763"	353.152502	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl"	34.969402
"16523"	673.314806	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H+K"	36.948606
"457422"	991.497906	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H+K"	36.948606
"838506"	355.131706	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H+K"	36.948606
"1558713"	355.131706	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K-2H"	36.948606
"943351"	363.181294	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+HCOOH"	44.998194
"363717"	681.364401	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+HCOOH-H"	44.998201
"348695"	695.380051	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Hac-H"	59.013851
"1498258"	377.196951	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Hac-H"	59.013851
"962882"	385.163251	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+NaCOOH"	66.980151
"111784"	353.152502	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2Cl"	69.938804
"550497"	512.244052	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2Cl"	69.938804
"1025252"	194.060952	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2Cl"	69.938804
"1244100"	397.101985	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Br"	78.918885
"1308372"	399.157972	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl+HCOOH"	80.974872
"1328421"	421.139929	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl+NaCOOH"	102.956829
"913646"	431.168686	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+CF3COOH"	112.985586
"1292907"	467.145364	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl+CF3COOH"	148.962264
"1371070"	283.170424	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H-2H2O"	-35.012676
"1384918"	301.1804	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H-H2O"	-17.0027
"285342"	637.373476	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H"	1.007276
"676672"	955.556576	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H"	1.007276
"1354115"	319.190376	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H"	1.007276
"128826"	319.190376	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2H"	2.014552
"566195"	478.281926	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2H"	2.014552
"1037673"	160.098826	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2H"	2.014552
"204631"	213.129342666667	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+3H"	3.021828
"645006"	319.190376	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+3H"	3.021828
"1169338"	107.068309333333	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+3H"	3.021828
"431520"	654.400023	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+NH4"	18.033823
"795795"	972.583123	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+NH4"	18.033823
"1689939"	336.216923	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+NH4"	18.033823
"338217"	327.7036495	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H+NH4"	19.041099
"729545"	486.7951995	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H+NH4"	19.041099
"1485552"	168.6120995	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+NH4"	19.041099
"398768"	659.355418	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Na"	22.989218
"759762"	977.538518	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+Na"	22.989218
"1607859"	341.172318	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na"	22.989218
"318991"	330.181347	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H+Na"	23.996494
"713599"	489.272897	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H+Na"	23.996494
"1467417"	171.089797	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+Na"	23.996494
"1057381"	114.395623333333	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2H+Na"	25.00377
"1260154"	351.216586	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+CH3OH+H"	33.033486
"379822"	675.329358	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+K"	38.963158
"738872"	993.512458	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+K"	38.963158
"1543966"	357.146258	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K"	38.963158
"302600"	338.168317	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H+K"	39.970434
"695021"	497.259867	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H+K"	39.970434
"1449571"	179.076767	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+K"	39.970434
"241457"	678.400026	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+ACN+H"	42.033826
"1217450"	360.216926	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+ACN+H"	42.033826
"1200240"	180.612101	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+ACN+2H"	43.041102
"195298"	681.33736	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2Na-H"	44.97116
"634859"	999.52046	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2Na-H"	44.97116
"1141650"	363.15426	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2Na-H"	44.97116
"175461"	341.172318	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2Na"	45.978436
"615022"	500.263868	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2Na"	45.978436
"1124363"	182.080768	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2Na"	45.978436
"1401689"	121.722937333333	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+2Na"	46.985712
"1431858"	365.195846	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+HCOOH"	47.012746
"223498"	346.20534	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+3H2O+2H"	56.04448
"1513015"	379.24789	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+IsoProp+H"	61.06479
"412338"	349.159288	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Na+K"	61.952376
"777709"	508.250838	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+Na+K"	61.952376
"1669667"	190.067738	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na+K"	61.952376
"254001"	700.381968	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+ACN+Na"	64.015768
"1232177"	382.198868	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+ACN+Na"	64.015768
"1718876"	382.222393	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+NH4+HCOOH"	64.039293
"1187512"	129.050251333333	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+3Na"	68.967654
"1651573"	387.177788	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na+HCOOH"	68.994688
"161351"	713.28524	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2K-H"	76.91904
"602733"	1031.46834	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2K-H"	76.91904
"1087610"	395.10214	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2K-H"	76.91904
"148435"	357.146258	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2K"	77.926316
"582531"	516.237808	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2K"	77.926316
"1070688"	198.054708	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2K"	77.926316
"1102805"	397.116692	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2K+H"	78.933592
"1341014"	397.204307	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+DMSO+H"	79.021207
"1006502"	401.243476	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2ACN+H"	83.060376
"1526576"	402.237108	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+IsoProp+Na+H"	84.054008
"994123"	201.125376	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2ACN+2H"	84.067652
"1589720"	403.151728	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K+HCOOH"	84.968628
"1428140"	433.183238	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+CF3COOH"	115.000138
"1160982"	221.638651	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+3ACN+2H"	125.094202
"1711626"	450.209785	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+NH4+CF3COOH"	132.026685
"1642902"	455.16518	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na+CF3COOH"	136.98208
"1572112"	471.13912	"C14983"	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K+CF3COOH"	152.95602
"814389"	330.2195	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M"	0
"984642"	311.20111	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"65592"	219.139057333333	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"510259"	329.212224	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"886968"	109.065890666667	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"12109"	329.212224	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"453491"	494.321974	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"830566"	164.102474	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"88004"	659.431724	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"524647"	989.651224	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"896982"	329.212224	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"51357"	676.458271	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"487267"	1006.677771	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"865560"	346.238771	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"37715"	681.413666	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"481656"	1011.633166	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"858362"	351.194166	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1629352"	351.194166	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"103329"	347.200563	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"540706"	512.310313	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"937500"	182.090813	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"272774"	695.408402	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"670664"	1025.627902	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1276511"	365.188902	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"19066"	697.387606	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"458627"	1027.607106	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"835700"	367.168106	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1555986"	367.168106	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"943423"	375.217694	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"366019"	705.437201	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"347714"	719.452851	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1495087"	389.233351	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"961171"	397.199651	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"111166"	365.188902	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"550729"	530.298652	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1022810"	200.079152	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1242021"	409.138385	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1304837"	411.194372	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1325251"	433.176329	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"918495"	443.205086	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1296298"	479.181764	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1371178"	295.206824	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1383935"	313.2168	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"286545"	661.446276	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"677146"	991.665776	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1352154"	331.226776	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"128939"	331.226776	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"571780"	496.336526	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1039486"	166.117026	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"205074"	221.153609333333	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"645965"	331.226776	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1169448"	111.080442666667	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"433814"	678.472823	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"795904"	1008.692323	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1691142"	348.253323	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"337234"	339.7400495	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"726376"	504.8497995	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1478250"	174.6302995	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"402158"	683.428218	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"762062"	1013.647718	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1607974"	353.208718	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"321288"	342.217747	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"711521"	507.327497	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1468621"	177.107997	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1057493"	118.407756666667	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1258076"	363.252986	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"379934"	699.402158	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"739464"	1029.621658	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1547359"	369.182658	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"301253"	350.204717	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"694402"	515.314467	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1451869"	185.094967	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"240476"	702.472826	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1221208"	372.253326	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1200352"	186.630301	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"194314"	705.41016	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"639350"	1035.62966	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1141031"	375.19066	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"182866"	353.208718	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"626436"	518.318468	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1125203"	188.098968	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1403258"	125.735070666667	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1433915"	377.232246	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"220076"	358.24174	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1510577"	391.28429	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"409290"	361.195688	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"771257"	526.305438	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1665759"	196.085938	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"253749"	724.454768	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1226821"	394.235268	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1718988"	394.258793	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1184342"	133.062384666667	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1650299"	399.214188	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"158180"	737.35804	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"600658"	1067.57754	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1088448"	407.13854	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"146358"	369.182658	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"583736"	534.292408	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1072623"	204.072908	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1101458"	409.153092	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1341124"	409.240707	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1007096"	413.279876	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1529973"	414.273508	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"994233"	207.143576	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1588370"	415.188128	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1427522"	445.219638	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1151250"	227.656851	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1699707"	462.246185	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1637545"	467.20158	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1572101"	483.17552	"C14984"	"17-Hydroxy-3-oxo-19-nor-5beta17alpha-pregnane-21-carboxylic acid gamma-lactone"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"814498"	328.0947	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M"	0
"981470"	309.07631	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H2O-H"	-19.01839
"65339"	217.722524	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-3H"	-3.021828
"510369"	327.087424	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-3H"	-3.021828
"887078"	108.357624	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-3H"	-3.021828
"13313"	327.087424	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H"	-2.014552
"454331"	491.134774	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H"	-2.014552
"831284"	163.040074	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H"	-2.014552
"89573"	655.182124	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-H"	-1.007276
"528039"	983.276824	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-H"	-1.007276
"904747"	327.087424	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H"	-1.007276
"54747"	672.208671	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H+NH4"	16.019271
"493216"	1000.303371	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H+NH4"	16.019271
"866644"	344.113971	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H+NH4"	16.019271
"37825"	677.164066	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H+Na"	20.974666
"485534"	1005.258766	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H+Na"	20.974666
"861753"	349.069366	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H+Na"	20.974666
"1631649"	349.069366	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na-2H"	20.974666
"103441"	345.075763	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-H+Cl"	33.962126
"544826"	509.123113	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-H+Cl"	33.962126
"937610"	181.028413	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+Cl"	33.962126
"272884"	691.158802	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Cl"	34.969402
"670774"	1019.253502	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+Cl"	34.969402
"1272881"	363.064102	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl"	34.969402
"15775"	693.138006	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H+K"	36.948606
"457644"	1021.232706	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H+K"	36.948606
"838726"	365.043306	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H+K"	36.948606
"1558205"	365.043306	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K-2H"	36.948606
"945720"	373.092894	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+HCOOH"	44.998194
"369411"	701.187601	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+HCOOH-H"	44.998201
"351107"	715.203251	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Hac-H"	59.013851
"1496294"	387.108551	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Hac-H"	59.013851
"961282"	395.074851	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+NaCOOH"	66.980151
"112377"	363.064102	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2Cl"	69.938804
"552301"	527.111452	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2Cl"	69.938804
"1023650"	199.016752	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2Cl"	69.938804
"1244322"	407.013585	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Br"	78.918885
"1305677"	409.069572	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl+HCOOH"	80.974872
"1321350"	431.051529	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl+NaCOOH"	102.956829
"914594"	441.080286	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+CF3COOH"	112.985586
"1292035"	477.056964	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl+CF3COOH"	148.962264
"1371288"	293.082024	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H-2H2O"	-35.012676
"1384774"	311.092	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H-H2O"	-17.0027
"286291"	657.196676	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H"	1.007276
"686370"	985.291376	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H"	1.007276
"1359440"	329.101976	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H"	1.007276
"135612"	329.101976	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2H"	2.014552
"576265"	493.149326	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2H"	2.014552
"1042877"	165.054626	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2H"	2.014552
"206522"	219.737076	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+3H"	3.021828
"648147"	329.101976	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+3H"	3.021828
"1170652"	110.372176	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+3H"	3.021828
"429550"	674.223223	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+NH4"	18.033823
"796013"	1002.317923	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+NH4"	18.033823
"1687975"	346.128523	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+NH4"	18.033823
"338438"	337.6152495	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H+NH4"	19.041099
"727582"	501.6625995	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H+NH4"	19.041099
"1486867"	173.5678995	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+NH4"	19.041099
"405186"	679.178618	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Na"	22.989218
"765454"	1007.273318	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+Na"	22.989218
"1611365"	351.083918	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na"	22.989218
"322494"	340.092947	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H+Na"	23.996494
"712728"	504.140297	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H+Na"	23.996494
"1468734"	176.045597	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+Na"	23.996494
"1061977"	117.69949	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2H+Na"	25.00377
"1264749"	361.128186	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+CH3OH+H"	33.033486
"383324"	695.152558	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+K"	38.963158
"742130"	1023.247258	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+K"	38.963158
"1550751"	367.057858	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K"	38.963158
"307924"	348.079917	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H+K"	39.970434
"698158"	512.127267	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H+K"	39.970434
"1453074"	184.032567	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+K"	39.970434
"240587"	698.223226	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+ACN+H"	42.033826
"1222046"	370.128526	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+ACN+H"	42.033826
"1200461"	185.567901	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+ACN+2H"	43.041102
"193330"	701.16056	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2Na-H"	44.97116
"640189"	1029.25526	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2Na-H"	44.97116
"1141504"	373.06586	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2Na-H"	44.97116
"185529"	351.083918	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2Na"	45.978436
"626063"	515.131268	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2Na"	45.978436
"1127140"	187.036568	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2Na"	45.978436
"1411389"	125.026804	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+2Na"	46.985712
"1437308"	375.107446	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+HCOOH"	47.012746
"229189"	356.11694	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+3H2O+2H"	56.04448
"1516157"	389.15949	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+IsoProp+H"	61.06479
"414748"	359.070888	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Na+K"	61.952376
"779023"	523.118238	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+Na+K"	61.952376
"1673172"	195.023538	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na+K"	61.952376
"259692"	720.205168	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+ACN+Na"	64.015768
"1236774"	392.110468	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+ACN+Na"	64.015768
"1723472"	392.133993	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+NH4+HCOOH"	64.039293
"1185545"	132.354118	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+3Na"	68.967654
"1655441"	397.089388	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na+HCOOH"	68.994688
"164488"	733.10844	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2K-H"	76.91904
"607328"	1061.20314	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2K-H"	76.91904
"1092933"	405.01374	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2K-H"	76.91904
"147562"	367.057858	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2K"	77.926316
"584210"	531.105208	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2K"	77.926316
"1072734"	203.010508	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2K"	77.926316
"1103026"	407.028292	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2K+H"	78.933592
"1341234"	407.115907	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+DMSO+H"	79.021207
"1009759"	411.155076	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2ACN+H"	83.060376
"1526803"	412.148708	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+IsoProp+Na+H"	84.054008
"993250"	206.081176	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2ACN+2H"	84.067652
"1588117"	413.063328	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K+HCOOH"	84.968628
"1427996"	443.094838	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+CF3COOH"	115.000138
"1157921"	226.594451	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+3ACN+2H"	125.094202
"1703098"	460.121385	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+NH4+CF3COOH"	132.026685
"1639842"	465.07678	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na+CF3COOH"	136.98208
"1572211"	481.05072	"C14985"	"6-Hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K+CF3COOH"	152.95602
"811328"	328.0947	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M"	0
"978298"	309.07631	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H2O-H"	-19.01839
"64717"	217.722524	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-3H"	-3.021828
"507194"	327.087424	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-3H"	-3.021828
"887188"	108.357624	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-3H"	-3.021828
"4669"	327.087424	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H"	-2.014552
"452985"	491.134774	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H"	-2.014552
"828598"	163.040074	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H"	-2.014552
"86403"	655.182124	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-H"	-1.007276
"528148"	983.276824	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-H"	-1.007276
"900482"	327.087424	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H"	-1.007276
"51577"	672.208671	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H+NH4"	16.019271
"493326"	1000.303371	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H+NH4"	16.019271
"866875"	344.113971	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H+NH4"	16.019271
"37935"	677.164066	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H+Na"	20.974666
"485886"	1005.258766	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H+Na"	20.974666
"861499"	349.069366	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H+Na"	20.974666
"1630301"	349.069366	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na-2H"	20.974666
"104644"	345.075763	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-H+Cl"	33.962126
"542020"	509.123113	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-H+Cl"	33.962126
"936627"	181.028413	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+Cl"	33.962126
"271901"	691.158802	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Cl"	34.969402
"667604"	1019.253502	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+Cl"	34.969402
"1273677"	363.064102	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl"	34.969402
"16843"	693.138006	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M-2H+K"	36.948606
"457390"	1021.232706	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M-2H+K"	36.948606
"835921"	365.043306	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-2H+K"	36.948606
"1556856"	365.043306	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K-2H"	36.948606
"944008"	373.092894	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+HCOOH"	44.998194
"370981"	701.187601	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+HCOOH-H"	44.998201
"353403"	715.203251	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Hac-H"	59.013851
"1500048"	387.108551	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Hac-H"	59.013851
"964309"	395.074851	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+NaCOOH"	66.980151
"113580"	363.064102	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2Cl"	69.938804
"553870"	527.111452	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2Cl"	69.938804
"1021851"	199.016752	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2Cl"	69.938804
"1246257"	407.013585	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Br"	78.918885
"1308706"	409.069572	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl+HCOOH"	80.974872
"1323647"	431.051529	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl+NaCOOH"	102.956829
"915436"	441.080286	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M-H+CF3COOH"	112.985586
"1292509"	477.056964	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Cl+CF3COOH"	148.962264
"1370305"	293.082024	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H-2H2O"	-35.012676
"1385983"	311.092	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H-H2O"	-17.0027
"284943"	657.196676	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H"	1.007276
"687573"	985.291376	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H"	1.007276
"1359550"	329.101976	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H"	1.007276
"135722"	329.101976	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2H"	2.014552
"575280"	493.149326	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2H"	2.014552
"1038734"	165.054626	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2H"	2.014552
"206145"	219.737076	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+3H"	3.021828
"648258"	329.101976	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+3H"	3.021828
"1168576"	110.372176	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+3H"	3.021828
"428567"	674.223223	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+NH4"	18.033823
"795030"	1002.317923	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+NH4"	18.033823
"1686992"	346.128523	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+NH4"	18.033823
"338548"	337.6152495	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H+NH4"	19.041099
"728786"	501.6625995	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H+NH4"	19.041099
"1486977"	173.5678995	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+NH4"	19.041099
"405660"	679.178618	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Na"	22.989218
"769331"	1007.273318	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+Na"	22.989218
"1611475"	351.083918	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na"	22.989218
"319324"	340.092947	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H+Na"	23.996494
"712837"	504.140297	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H+Na"	23.996494
"1467750"	176.045597	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+Na"	23.996494
"1057714"	117.69949	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2H+Na"	25.00377
"1263765"	361.128186	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+CH3OH+H"	33.033486
"383434"	695.152558	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+K"	38.963158
"741510"	1023.247258	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+K"	38.963158
"1546485"	367.057858	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K"	38.963158
"301836"	348.079917	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+H+K"	39.970434
"697175"	512.127267	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+H+K"	39.970434
"1452092"	184.032567	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+K"	39.970434
"239604"	698.223226	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+ACN+H"	42.033826
"1218876"	370.128526	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+ACN+H"	42.033826
"1201663"	185.567901	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+ACN+2H"	43.041102
"193441"	701.16056	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2Na-H"	44.97116
"639205"	1029.25526	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2Na-H"	44.97116
"1138698"	373.06586	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2Na-H"	44.97116
"184182"	351.083918	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2Na"	45.978436
"621194"	515.131268	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2Na"	45.978436
"1125063"	187.036568	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2Na"	45.978436
"1408583"	125.026804	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+2Na"	46.985712
"1437418"	375.107446	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+HCOOH"	47.012746
"230393"	356.11694	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+3H2O+2H"	56.04448
"1517359"	389.15949	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+IsoProp+H"	61.06479
"419232"	359.070888	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+Na+K"	61.952376
"776946"	523.118238	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+Na+K"	61.952376
"1672186"	195.023538	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na+K"	61.952376
"260898"	720.205168	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+ACN+Na"	64.015768
"1235791"	392.110468	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+ACN+Na"	64.015768
"1721396"	392.133993	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+NH4+HCOOH"	64.039293
"1185655"	132.354118	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+3Na"	68.967654
"1651178"	397.089388	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na+HCOOH"	68.994688
"163506"	733.10844	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2K-H"	76.91904
"599785"	1061.20314	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2K-H"	76.91904
"1090857"	405.01374	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2K-H"	76.91904
"146578"	367.057858	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"2M+2K"	77.926316
"585049"	531.105208	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"3M+2K"	77.926316
"1071750"	203.010508	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2K"	77.926316
"1102403"	407.028292	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2K+H"	78.933592
"1338429"	407.115907	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+DMSO+H"	79.021207
"1009137"	411.155076	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2ACN+H"	83.060376
"1526913"	412.148708	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+IsoProp+Na+H"	84.054008
"993360"	206.081176	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+2ACN+2H"	84.067652
"1587985"	413.063328	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K+HCOOH"	84.968628
"1421179"	443.094838	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+H+CF3COOH"	115.000138
"1158031"	226.594451	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+3ACN+2H"	125.094202
"1709770"	460.121385	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+NH4+CF3COOH"	132.026685
"1641045"	465.07678	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+Na+CF3COOH"	136.98208
"1574508"	481.05072	"C14986"	"2-(4-Hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavone"	"C18H16O6"	"328.0947"	"M+K+CF3COOH"	152.95602
"808158"	286.2144	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M"	0
"977679"	267.19601	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-H2O-H"	-19.01839
"64096"	189.802324	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M-3H"	-3.021828
"506211"	285.207124	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M-3H"	-3.021828
"887298"	94.397524	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-3H"	-3.021828
"4778"	285.207124	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M-2H"	-2.014552
"449808"	428.314324	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M-2H"	-2.014552
"829074"	142.099924	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-2H"	-2.014552
"88336"	571.421524	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M-H"	-1.007276
"528260"	857.635924	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M-H"	-1.007276
"899499"	285.207124	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-H"	-1.007276
"50594"	588.448071	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M-2H+NH4"	16.019271
"491250"	874.662471	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M-2H+NH4"	16.019271
"869050"	302.233671	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-2H+NH4"	16.019271
"38045"	593.403466	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M-2H+Na"	20.974666
"482716"	879.617866	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M-2H+Na"	20.974666
"858694"	307.189066	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-2H+Na"	20.974666
"1630776"	307.189066	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Na-2H"	20.974666
"100381"	303.195463	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M-H+Cl"	33.962126
"541036"	446.302663	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M-H+Cl"	33.962126
"936738"	160.088263	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-H+Cl"	33.962126
"272011"	607.398202	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+Cl"	34.969402
"668806"	893.612602	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+Cl"	34.969402
"1274654"	321.183802	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Cl"	34.969402
"19398"	609.377406	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M-2H+K"	36.948606
"461146"	895.591806	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M-2H+K"	36.948606
"838218"	323.163006	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-2H+K"	36.948606
"1556964"	323.163006	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+K-2H"	36.948606
"945208"	331.212594	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-H+HCOOH"	44.998194
"371451"	617.427001	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+HCOOH-H"	44.998201
"354972"	631.442651	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+Hac-H"	59.013851
"1499067"	345.228251	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Hac-H"	59.013851
"962960"	353.194551	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-H+NaCOOH"	66.980151
"112595"	321.183802	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+2Cl"	69.938804
"552522"	464.291002	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+2Cl"	69.938804
"1026060"	178.076602	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2Cl"	69.938804
"1246004"	365.133285	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Br"	78.918885
"1308452"	367.189272	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Cl+HCOOH"	80.974872
"1324489"	389.171229	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Cl+NaCOOH"	102.956829
"914817"	399.199986	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M-H+CF3COOH"	112.985586
"1292618"	435.176664	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Cl+CF3COOH"	148.962264
"1372601"	251.201724	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H-2H2O"	-35.012676
"1387550"	269.2117	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H-H2O"	-17.0027
"285777"	573.436076	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+H"	1.007276
"685497"	859.650476	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+H"	1.007276
"1359660"	287.221676	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H"	1.007276
"135830"	287.221676	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+2H"	2.014552
"575389"	430.328876	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+2H"	2.014552
"1042004"	144.114476	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2H"	2.014552
"205891"	191.816876	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+3H"	3.021828
"646182"	287.221676	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+3H"	3.021828
"1167593"	96.412076	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+3H"	3.021828
"428677"	590.462623	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+NH4"	18.033823
"794047"	876.677023	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+NH4"	18.033823
"1688196"	304.248223	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+NH4"	18.033823
"339752"	295.7349495	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+H+NH4"	19.041099
"727803"	438.8421495	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+H+NH4"	19.041099
"1487089"	152.6277495	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H+NH4"	19.041099
"404677"	595.418018	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+Na"	22.989218
"765675"	881.632418	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+Na"	22.989218
"1611586"	309.203618	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Na"	22.989218
"320528"	298.212647	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+H+Na"	23.996494
"710761"	441.319847	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+H+Na"	23.996494
"1463487"	155.105447	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H+Na"	23.996494
"1054909"	103.73939	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2H+Na"	25.00377
"1262782"	319.247886	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+CH3OH+H"	33.033486
"381358"	611.391958	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+K"	38.963158
"741620"	897.606358	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+K"	38.963158
"1546595"	325.177558	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+K"	38.963158
"300486"	306.199617	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+H+K"	39.970434
"694006"	449.306817	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+H+K"	39.970434
"1448922"	163.092417	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H+K"	39.970434
"241901"	614.462626	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+ACN+H"	42.033826
"1217893"	328.248226	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+ACN+H"	42.033826
"1199588"	164.627751	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+ACN+2H"	43.041102
"194645"	617.39996	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+2Na-H"	44.97116
"641502"	903.61436	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+2Na-H"	44.97116
"1138808"	331.18556	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2Na-H"	44.97116
"182098"	309.203618	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+2Na"	45.978436
"621659"	452.310818	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+2Na"	45.978436
"1126264"	166.096418	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2Na"	45.978436
"1409787"	111.066704	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H+2Na"	46.985712
"1439715"	333.227146	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H+HCOOH"	47.012746
"229410"	314.23664	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+3H2O+2H"	56.04448
"1517470"	347.27919	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+IsoProp+H"	61.06479
"418248"	317.190588	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+Na+K"	61.952376
"777056"	460.297788	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+Na+K"	61.952376
"1673389"	174.083388	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Na+K"	61.952376
"262100"	636.444568	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+ACN+Na"	64.015768
"1234808"	350.230168	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+ACN+Na"	64.015768
"1721506"	350.253693	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+NH4+HCOOH"	64.039293
"1184672"	118.394018	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+3Na"	68.967654
"1657848"	355.209088	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Na+HCOOH"	68.994688
"163616"	649.34784	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+2K-H"	76.91904
"602082"	935.56224	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+2K-H"	76.91904
"1093154"	363.13344	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2K-H"	76.91904
"147781"	325.177558	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"2M+2K"	77.926316
"584065"	468.284758	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"3M+2K"	77.926316
"1071860"	182.070358	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2K"	77.926316
"1102877"	365.147992	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2K+H"	78.933592
"1340361"	365.235607	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+DMSO+H"	79.021207
"1009248"	369.274776	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2ACN+H"	83.060376
"1528116"	370.268408	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+IsoProp+Na+H"	84.054008
"992374"	185.141026	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+2ACN+2H"	84.067652
"1590158"	371.183028	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+K+HCOOH"	84.968628
"1421289"	401.214538	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+H+CF3COOH"	115.000138
"1160329"	205.654301	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+3ACN+2H"	125.094202
"1709880"	418.241085	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+NH4+CF3COOH"	132.026685
"1641155"	423.19648	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+Na+CF3COOH"	136.98208
"1574618"	439.17042	"C14987"	"23-Dihydroxycyclopentaneundecanoic acid"	"C16H30O4"	"286.2144"	"M+K+CF3COOH"	152.95602
"811548"	317.1627	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M"	0
"976696"	298.14431	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H2O-H"	-19.01839
"63273"	210.434524	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-3H"	-3.021828
"505228"	316.155424	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-3H"	-3.021828
"888501"	104.713624	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-3H"	-3.021828
"7074"	316.155424	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H"	-2.014552
"449918"	474.736774	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H"	-2.014552
"832380"	157.574074	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H"	-2.014552
"89540"	633.318124	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-H"	-1.007276
"528369"	950.480824	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-H"	-1.007276
"903985"	316.155424	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H"	-1.007276
"55080"	650.344671	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H+NH4"	16.019271
"494639"	967.507371	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H+NH4"	16.019271
"871347"	333.181971	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H+NH4"	16.019271
"39248"	655.300066	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H+Na"	20.974666
"478818"	972.462766	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H+Na"	20.974666
"860625"	338.137366	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H+Na"	20.974666
"1628335"	338.137366	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na-2H"	20.974666
"102679"	334.143763	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-H+Cl"	33.962126
"538959"	492.725113	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-H+Cl"	33.962126
"936849"	175.562413	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+Cl"	33.962126
"272121"	669.294802	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Cl"	34.969402
"666730"	986.457502	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+Cl"	34.969402
"1274764"	352.132102	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl"	34.969402
"16833"	671.274006	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H+K"	36.948606
"461256"	988.436706	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H+K"	36.948606
"836505"	354.111306	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H+K"	36.948606
"1558899"	354.111306	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K-2H"	36.948606
"943982"	362.160894	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+HCOOH"	44.998194
"369739"	679.323601	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+HCOOH-H"	44.998201
"352529"	693.339251	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Hac-H"	59.013851
"1496623"	376.176551	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Hac-H"	59.013851
"961246"	384.142851	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+NaCOOH"	66.980151
"111247"	352.132102	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2Cl"	69.938804
"551902"	510.713452	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2Cl"	69.938804
"1024345"	193.550752	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2Cl"	69.938804
"1246114"	396.081585	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Br"	78.918885
"1305643"	398.137572	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl+HCOOH"	80.974872
"1324233"	420.119529	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl+NaCOOH"	102.956829
"914563"	430.148286	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+CF3COOH"	112.985586
"1293457"	466.124964	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl+CF3COOH"	148.962264
"1370159"	282.150024	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H-2H2O"	-35.012676
"1386929"	300.16	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H-H2O"	-17.0027
"283699"	635.332676	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H"	1.007276
"686700"	952.495376	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H"	1.007276
"1356488"	318.169976	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H"	1.007276
"134846"	318.169976	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2H"	2.014552
"575499"	476.751326	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2H"	2.014552
"1042112"	159.588626	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2H"	2.014552
"208918"	212.449076	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+3H"	3.021828
"647385"	318.169976	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+3H"	3.021828
"1167702"	106.728176	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+3H"	3.021828
"428787"	652.359223	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+NH4"	18.033823
"794157"	969.521923	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+NH4"	18.033823
"1689399"	335.196523	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+NH4"	18.033823
"339862"	326.6832495	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H+NH4"	19.041099
"731193"	485.2645995	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H+NH4"	19.041099
"1487199"	168.1018995	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+NH4"	19.041099
"404787"	657.314618	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Na"	22.989218
"764688"	974.477318	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+Na"	22.989218
"1611695"	340.151918	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na"	22.989218
"320637"	329.160947	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H+Na"	23.996494
"713056"	487.742297	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H+Na"	23.996494
"1466876"	170.579597	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+Na"	23.996494
"1057935"	114.05549	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2H+Na"	25.00377
"1262892"	350.196186	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+CH3OH+H"	33.033486
"381467"	673.288558	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+K"	38.963158
"740639"	990.451258	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+K"	38.963158
"1547798"	356.125858	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K"	38.963158
"299139"	337.147917	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H+K"	39.970434
"698488"	495.729267	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H+K"	39.970434
"1449032"	178.566567	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+K"	39.970434
"240916"	676.359226	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+ACN+H"	42.033826
"1219096"	359.196526	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+ACN+H"	42.033826
"1199696"	180.101901	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+ACN+2H"	43.041102
"191474"	679.29656	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2Na-H"	44.97116
"641976"	996.45926	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2Na-H"	44.97116
"1140011"	362.13386	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2Na-H"	44.97116
"178928"	340.151918	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2Na"	45.978436
"625778"	498.733268	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2Na"	45.978436
"1127467"	181.570568	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2Na"	45.978436
"1409897"	121.382804	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+2Na"	46.985712
"1439825"	364.175446	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+HCOOH"	47.012746
"229520"	345.18494	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+3H2O+2H"	56.04448
"1520859"	378.22749	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+IsoProp+H"	61.06479
"420545"	348.138888	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Na+K"	61.952376
"777166"	506.720238	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+Na+K"	61.952376
"1675685"	189.557538	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na+K"	61.952376
"264396"	698.341168	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+ACN+Na"	64.015768
"1236011"	381.178468	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+ACN+Na"	64.015768
"1721616"	381.201993	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+NH4+HCOOH"	64.039293
"1185875"	128.710118	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+3Na"	68.967654
"1657958"	386.157388	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na+HCOOH"	68.994688
"170286"	711.24444	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2K-H"	76.91904
"602192"	1028.40714	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2K-H"	76.91904
"1093264"	394.08174	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2K-H"	76.91904
"147891"	356.125858	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2K"	77.926316
"582716"	514.707208	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2K"	77.926316
"1071970"	197.544508	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2K"	77.926316
"1102987"	396.096292	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2K+H"	78.933592
"1338648"	396.183907	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+DMSO+H"	79.021207
"1007536"	400.223076	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2ACN+H"	83.060376
"1528226"	401.216708	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+IsoProp+Na+H"	84.054008
"994671"	200.615176	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2ACN+2H"	84.067652
"1588567"	402.131328	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K+HCOOH"	84.968628
"1422492"	432.162838	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+CF3COOH"	115.000138
"1160441"	221.128451	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+3ACN+2H"	125.094202
"1712176"	449.189385	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+NH4+CF3COOH"	132.026685
"1640172"	454.14478	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na+CF3COOH"	136.98208
"1574728"	470.11872	"C14988"	"4-Nitroestra-135(10)-triene-317beta-diol;4-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K+CF3COOH"	152.95602
"811658"	476.2774	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M"	0
"976442"	457.25901	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-H2O-H"	-19.01839
"64682"	316.510990666667	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M-3H"	-3.021828
"505338"	475.270124	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M-3H"	-3.021828
"887518"	157.751857333333	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-3H"	-3.021828
"4633"	475.270124	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M-2H"	-2.014552
"450028"	713.408824	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M-2H"	-2.014552
"830020"	237.131424	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-2H"	-2.014552
"89650"	951.547524	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M-H"	-1.007276
"526296"	1427.824924	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M-H"	-1.007276
"900816"	475.270124	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-H"	-1.007276
"55190"	968.574071	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M-2H+NH4"	16.019271
"493656"	1444.851471	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M-2H+NH4"	16.019271
"870364"	492.296671	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-2H+NH4"	16.019271
"33890"	973.529466	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M-2H+Na"	20.974666
"480021"	1449.806866	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M-2H+Na"	20.974666
"859279"	497.252066	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-2H+Na"	20.974666
"1630630"	497.252066	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Na-2H"	20.974666
"101695"	493.258463	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M-H+Cl"	33.962126
"539070"	731.397163	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M-H+Cl"	33.962126
"932585"	255.119763	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-H+Cl"	33.962126
"275511"	987.524202	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+Cl"	34.969402
"666840"	1463.801602	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+Cl"	34.969402
"1278156"	511.246802	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Cl"	34.969402
"19252"	989.503406	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M-2H+K"	36.948606
"463553"	1465.780806	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M-2H+K"	36.948606
"838802"	513.226006	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-2H+K"	36.948606
"1556092"	513.226006	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+K-2H"	36.948606
"943119"	521.275594	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-H+HCOOH"	44.998194
"362061"	997.553001	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+HCOOH-H"	44.998201
"346803"	1011.568651	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+Hac-H"	59.013851
"1497098"	535.291251	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Hac-H"	59.013851
"960262"	543.257551	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-H+NaCOOH"	66.980151
"112451"	511.246802	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+2Cl"	69.938804
"553835"	749.385502	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+2Cl"	69.938804
"1022633"	273.108102	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2Cl"	69.938804
"1245128"	555.196285	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Br"	78.918885
"1306480"	557.252272	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Cl+HCOOH"	80.974872
"1323979"	579.234229	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Cl+NaCOOH"	102.956829
"913940"	589.262986	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M-H+CF3COOH"	112.985586
"1289919"	625.239664	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Cl+CF3COOH"	148.962264
"1368810"	441.264724	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H-2H2O"	-35.012676
"1385215"	459.2747	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H-H2O"	-17.0027
"284905"	953.562076	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+H"	1.007276
"686810"	1429.839476	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+H"	1.007276
"1357692"	477.284676	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H"	1.007276
"134956"	477.284676	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+2H"	2.014552
"575609"	715.423376	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+2H"	2.014552
"1042222"	239.145976	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2H"	2.014552
"210121"	318.525542666667	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+3H"	3.021828
"646766"	477.284676	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+3H"	3.021828
"1167812"	159.766409333333	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+3H"	3.021828
"431083"	970.588623	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+NH4"	18.033823
"796454"	1446.866023	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+NH4"	18.033823
"1689509"	494.311223	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+NH4"	18.033823
"339972"	485.7979495	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+H+NH4"	19.041099
"733488"	723.9366495	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+H+NH4"	19.041099
"1485122"	247.6592495	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H+NH4"	19.041099
"401616"	975.544018	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+Na"	22.989218
"764798"	1451.821418	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+Na"	22.989218
"1611805"	499.266618	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Na"	22.989218
"319654"	488.275647	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+H+Na"	23.996494
"710615"	726.414347	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+H+Na"	23.996494
"1465163"	250.136947	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H+Na"	23.996494
"1057314"	167.093723333333	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2H+Na"	25.00377
"1261180"	509.310886	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+CH3OH+H"	33.033486
"379388"	991.517958	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+K"	38.963158
"741842"	1467.795358	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+K"	38.963158
"1543534"	515.240558	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+K"	38.963158
"299082"	496.262617	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+H+K"	39.970434
"695318"	734.401317	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+H+K"	39.970434
"1448049"	258.123917	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H+K"	39.970434
"238839"	994.588626	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+ACN+H"	42.033826
"1215926"	518.311226	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+ACN+H"	42.033826
"1198712"	259.659251	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+ACN+2H"	43.041102
"189761"	997.52596	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+2Na-H"	44.97116
"640992"	1473.80336	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+2Na-H"	44.97116
"1137934"	521.24856	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2Na-H"	44.97116
"178308"	499.266618	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+2Na"	45.978436
"622972"	737.405318	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+2Na"	45.978436
"1122467"	261.127918	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2Na"	45.978436
"1408909"	174.421037333333	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H+2Na"	46.985712
"1439932"	523.290146	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H+HCOOH"	47.012746
"227442"	504.29964	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+3H2O+2H"	56.04448
"1520969"	537.34219	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+IsoProp+H"	61.06479
"418469"	507.253588	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+Na+K"	61.952376
"774360"	745.392288	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+Na+K"	61.952376
"1672515"	269.114888	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Na+K"	61.952376
"264506"	1016.570568	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+ACN+Na"	64.015768
"1235028"	540.293168	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+ACN+Na"	64.015768
"1719539"	540.316693	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+NH4+HCOOH"	64.039293
"1182704"	181.748351333333	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+3Na"	68.967654
"1656975"	545.272088	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Na+HCOOH"	68.994688
"168209"	1029.47384	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+2K-H"	76.91904
"602302"	1505.75124	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+2K-H"	76.91904
"1091188"	553.19644	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2K-H"	76.91904
"148001"	515.240558	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"2M+2K"	77.926316
"582582"	753.379258	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"3M+2K"	77.926316
"1069892"	277.101858	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2K"	77.926316
"1101154"	555.210992	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2K+H"	78.933592
"1338758"	555.298607	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+DMSO+H"	79.021207
"1010197"	559.337776	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2ACN+H"	83.060376
"1527243"	560.331408	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+IsoProp+Na+H"	84.054008
"994781"	280.172526	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+2ACN+2H"	84.067652
"1588920"	561.246028	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+K+HCOOH"	84.968628
"1419322"	591.277538	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+H+CF3COOH"	115.000138
"1149610"	300.685801	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+3ACN+2H"	125.094202
"1712165"	608.304085	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+NH4+CF3COOH"	132.026685
"1640282"	613.25948	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+Na+CF3COOH"	136.98208
"1574838"	629.23342	"C14990"	"Cyclic-320-bis(12-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha6alpha-epoxypregnane-320-dione"	"C27H40O7"	"476.2774"	"M+K+CF3COOH"	152.95602
"813955"	374.2821	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M"	0
"977645"	355.26371	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-H2O-H"	-19.01839
"63250"	248.514124	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M-3H"	-3.021828
"505812"	373.274824	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M-3H"	-3.021828
"880332"	123.753424	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-3H"	-3.021828
"564"	373.274824	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M-2H"	-2.014552
"446858"	560.415874	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M-2H"	-2.014552
"829035"	186.133774	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-2H"	-2.014552
"89032"	747.556924	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M-H"	-1.007276
"526405"	1121.839024	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M-H"	-1.007276
"902019"	373.274824	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-H"	-1.007276
"53113"	764.583471	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M-2H+NH4"	16.019271
"492673"	1138.865571	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M-2H+NH4"	16.019271
"869381"	390.301371	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-2H+NH4"	16.019271
"33028"	769.538866	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M-2H+Na"	20.974666
"481224"	1143.820966	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M-2H+Na"	20.974666
"857930"	395.256766	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-2H+Na"	20.974666
"1629647"	395.256766	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Na-2H"	20.974666
"99619"	391.263163	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M-H+Cl"	33.962126
"542461"	578.404213	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M-H+Cl"	33.962126
"934882"	204.122113	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-H+Cl"	33.962126
"274528"	783.533602	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+Cl"	34.969402
"665127"	1157.815702	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+Cl"	34.969402
"1280453"	409.251502	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Cl"	34.969402
"21917"	785.512806	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M-2H+K"	36.948606
"463664"	1159.794906	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M-2H+K"	36.948606
"841465"	411.230706	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-2H+K"	36.948606
"1558389"	411.230706	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+K-2H"	36.948606
"943475"	419.280294	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-H+HCOOH"	44.998194
"365945"	793.562401	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+HCOOH-H"	44.998201
"346184"	807.578051	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+Hac-H"	59.013851
"1494655"	433.295951	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Hac-H"	59.013851
"959034"	441.262251	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-H+NaCOOH"	66.980151
"111468"	409.251502	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+2Cl"	69.938804
"552486"	596.392552	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+2Cl"	69.938804
"1022743"	222.110452	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2Cl"	69.938804
"1244510"	453.200985	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Br"	78.918885
"1304765"	455.256972	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Cl+HCOOH"	80.974872
"1322629"	477.238929	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Cl+NaCOOH"	102.956829
"915876"	487.267686	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M-H+CF3COOH"	112.985586
"1289542"	523.244364	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Cl+CF3COOH"	148.962264
"1368068"	339.269424	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H-2H2O"	-35.012676
"1386057"	357.2794	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H-H2O"	-17.0027
"286836"	749.571476	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+H"	1.007276
"682545"	1123.853576	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+H"	1.007276
"1356709"	375.289376	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H"	1.007276
"135065"	375.289376	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+2H"	2.014552
"570251"	562.430426	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+2H"	2.014552
"1043426"	188.148326	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2H"	2.014552
"211326"	250.528676	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+3H"	3.021828
"649791"	375.289376	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+3H"	3.021828
"1169015"	125.767976	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+3H"	3.021828
"430101"	766.598023	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+NH4"	18.033823
"793284"	1140.880123	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+NH4"	18.033823
"1691807"	392.315923	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+NH4"	18.033823
"338989"	383.8026495	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+H+NH4"	19.041099
"733598"	570.9436995	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+H+NH4"	19.041099
"1486325"	196.6615995	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H+NH4"	19.041099
"400633"	771.553418	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+Na"	22.989218
"766002"	1145.835518	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+Na"	22.989218
"1609728"	397.271318	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Na"	22.989218
"317577"	386.280347	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+H+Na"	23.996494
"711090"	573.421397	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+H+Na"	23.996494
"1465273"	199.139297	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H+Na"	23.996494
"1059248"	133.09529	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2H+Na"	25.00377
"1258010"	407.315586	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+CH3OH+H"	33.033486
"380591"	787.527358	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+K"	38.963158
"740130"	1161.809458	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+K"	38.963158
"1542179"	413.245258	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+K"	38.963158
"299475"	394.267317	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+H+K"	39.970434
"692143"	581.408367	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+H+K"	39.970434
"1447060"	207.126267	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H+K"	39.970434
"236762"	790.598026	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+ACN+H"	42.033826
"1213118"	416.315926	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+ACN+H"	42.033826
"1194934"	208.661601	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+ACN+2H"	43.041102
"189871"	793.53536	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+2Na-H"	44.97116
"635634"	1167.81746	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+2Na-H"	44.97116
"1135493"	419.25326	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2Na-H"	44.97116
"176230"	397.271318	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+2Na"	45.978436
"617614"	584.412368	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+2Na"	45.978436
"1121120"	210.130268	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2Na"	45.978436
"1405740"	140.422604	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H+2Na"	46.985712
"1437854"	421.294846	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H+HCOOH"	47.012746
"227547"	402.30434	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+3H2O+2H"	56.04448
"1509653"	435.34689	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+IsoProp+H"	61.06479
"409217"	405.258288	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+Na+K"	61.952376
"774470"	592.399338	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+Na+K"	61.952376
"1669346"	218.117238	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Na+K"	61.952376
"265712"	812.579968	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+ACN+Na"	64.015768
"1235138"	438.297868	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+ACN+Na"	64.015768
"1722930"	438.321393	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+NH4+HCOOH"	64.039293
"1182815"	147.749918	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+3Na"	68.967654
"1659273"	443.276788	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Na+HCOOH"	68.994688
"163946"	825.48324	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+2K-H"	76.91904
"601319"	1199.76534	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+2K-H"	76.91904
"1091298"	451.20114	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2K-H"	76.91904
"147019"	413.245258	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"2M+2K"	77.926316
"584394"	600.386308	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"3M+2K"	77.926316
"1070002"	226.104208	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2K"	77.926316
"1101628"	453.215692	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2K+H"	78.933592
"1338504"	453.303307	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+DMSO+H"	79.021207
"1006910"	457.342476	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2ACN+H"	83.060376
"1531727"	458.336108	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+IsoProp+Na+H"	84.054008
"993798"	229.174876	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+2ACN+2H"	84.067652
"1589395"	459.250728	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+K+HCOOH"	84.968628
"1427087"	489.282238	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+H+CF3COOH"	115.000138
"1154095"	249.688151	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+3ACN+2H"	125.094202
"1711911"	506.308785	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+NH4+CF3COOH"	132.026685
"1643672"	511.26418	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+Na+CF3COOH"	136.98208
"1574948"	527.23812	"C14991"	"3beta21-Dihydroxy-4414-trimethyl-5alpha-pregn-8-en-20-one"	"C24H38O3"	"374.2821"	"M+K+CF3COOH"	152.95602
"816850"	374.1552	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M"	0
"979942"	355.13681	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-H2O-H"	-19.01839
"67090"	248.429524	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M-3H"	-3.021828
"507745"	373.147924	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M-3H"	-3.021828
"883360"	123.711124	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-3H"	-3.021828
"4121"	373.147924	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M-2H"	-2.014552
"450248"	560.225524	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M-2H"	-2.014552
"828052"	186.070324	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-2H"	-2.014552
"89141"	747.303124	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M-H"	-1.007276
"528701"	1121.458324	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M-H"	-1.007276
"902129"	373.147924	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-H"	-1.007276
"56504"	764.329671	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M-2H+NH4"	16.019271
"494969"	1138.484871	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M-2H+NH4"	16.019271
"869491"	390.174471	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-2H+NH4"	16.019271
"35204"	769.285066	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M-2H+Na"	20.974666
"481333"	1143.440266	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M-2H+Na"	20.974666
"856948"	395.129866	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-2H+Na"	20.974666
"1629393"	395.129866	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Na-2H"	20.974666
"100094"	391.136263	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M-H+Cl"	33.962126
"542572"	578.213863	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M-H+Cl"	33.962126
"933899"	204.058663	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-H+Cl"	33.962126
"272088"	783.279802	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+Cl"	34.969402
"665237"	1157.435002	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+Cl"	34.969402
"1285912"	409.124602	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Cl"	34.969402
"24216"	785.259006	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M-2H+K"	36.948606
"461587"	1159.414206	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M-2H+K"	36.948606
"838657"	411.103806	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-2H+K"	36.948606
"1560686"	411.103806	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+K-2H"	36.948606
"947111"	419.153394	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-H+HCOOH"	44.998194
"366419"	793.308601	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+HCOOH-H"	44.998201
"349940"	807.324251	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+Hac-H"	59.013851
"1494398"	433.169051	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Hac-H"	59.013851
"960847"	441.135351	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-H+NaCOOH"	66.980151
"110483"	409.124602	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+2Cl"	69.938804
"551502"	596.202202	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+2Cl"	69.938804
"1021760"	222.047002	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2Cl"	69.938804
"1248266"	453.074085	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Br"	78.918885
"1306703"	455.130072	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Cl+HCOOH"	80.974872
"1325657"	477.112029	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Cl+NaCOOH"	102.956829
"917444"	487.140786	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M-H+CF3COOH"	112.985586
"1291234"	523.117464	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Cl+CF3COOH"	148.962264
"1368179"	339.142524	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H-2H2O"	-35.012676
"1386164"	357.1525	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H-H2O"	-17.0027
"286946"	749.317676	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+H"	1.007276
"683749"	1123.472876	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+H"	1.007276
"1360099"	375.162476	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H"	1.007276
"134082"	375.162476	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+2H"	2.014552
"575827"	562.240076	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+2H"	2.014552
"1046815"	188.084876	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2H"	2.014552
"213623"	250.444076	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+3H"	3.021828
"654277"	375.162476	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+3H"	3.021828
"1173499"	125.725676	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+3H"	3.021828
"432398"	766.344223	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+NH4"	18.033823
"796674"	1140.499423	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+NH4"	18.033823
"1693010"	392.189023	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+NH4"	18.033823
"343109"	383.6757495	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+H+NH4"	19.041099
"736623"	570.7533495	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+H+NH4"	19.041099
"1488622"	196.5981495	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H+NH4"	19.041099
"404023"	771.299618	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+Na"	22.989218
"769029"	1145.454818	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+Na"	22.989218
"1607652"	397.144418	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Na"	22.989218
"320967"	386.153447	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+H+Na"	23.996494
"712292"	573.231047	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+H+Na"	23.996494
"1467207"	199.075847	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H+Na"	23.996494
"1061545"	133.05299	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2H+Na"	25.00377
"1259943"	407.188686	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+CH3OH+H"	33.033486
"385077"	787.273558	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+K"	38.963158
"746072"	1161.428758	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+K"	38.963158
"1543018"	413.118358	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+K"	38.963158
"303112"	394.140417	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+H+K"	39.970434
"692984"	581.218017	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+H+K"	39.970434
"1447171"	207.062817	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H+K"	39.970434
"241246"	790.344226	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+ACN+H"	42.033826
"1215051"	416.189026	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+ACN+H"	42.033826
"1203308"	208.598151	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+ACN+2H"	43.041102
"196178"	793.28156	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+2Na-H"	44.97116
"634651"	1167.43676	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+2Na-H"	44.97116
"1138156"	419.12636	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2Na-H"	44.97116
"175247"	397.144418	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+2Na"	45.978436
"620276"	584.222018	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+2Na"	45.978436
"1126335"	210.066818	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2Na"	45.978436
"1405851"	140.380304	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H+2Na"	46.985712
"1437235"	421.167946	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H+HCOOH"	47.012746
"227657"	402.17744	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+3H2O+2H"	56.04448
"1511345"	435.21999	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+IsoProp+H"	61.06479
"409124"	405.131388	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+Na+K"	61.952376
"774581"	592.208988	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+Na+K"	61.952376
"1668727"	218.053788	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Na+K"	61.952376
"266192"	812.326168	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+ACN+Na"	64.015768
"1237434"	438.170968	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+ACN+Na"	64.015768
"1723040"	438.194493	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+NH4+HCOOH"	64.039293
"1185112"	147.707618	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+3Na"	68.967654
"1664244"	443.149888	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Na+HCOOH"	68.994688
"169524"	825.22944	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+2K-H"	76.91904
"607990"	1199.38464	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+2K-H"	76.91904
"1090315"	451.07424	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2K-H"	76.91904
"146037"	413.118358	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"2M+2K"	77.926316
"583409"	600.195958	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"3M+2K"	77.926316
"1076674"	226.040758	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2K"	77.926316
"1109883"	453.088792	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2K+H"	78.933592
"1341895"	453.176407	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+DMSO+H"	79.021207
"1010425"	457.215576	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2ACN+H"	83.060376
"1531837"	458.209208	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+IsoProp+Na+H"	84.054008
"996095"	229.111426	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+2ACN+2H"	84.067652
"1587925"	459.123828	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+K+HCOOH"	84.968628
"1426104"	489.155338	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+H+CF3COOH"	115.000138
"1154205"	249.624701	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+3ACN+2H"	125.094202
"1711049"	506.181885	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+NH4+CF3COOH"	132.026685
"1640502"	511.13728	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+Na+CF3COOH"	136.98208
"1575058"	527.11122	"C14992"	"3-(Acetyloxy)-9-mercaptoandrosta-35-diene-1117-dione"	"C21H26O4S"	"374.1552"	"M+K+CF3COOH"	152.95602
"815998"	414.3134	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M"	0
"980052"	395.29501	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-H2O-H"	-19.01839
"70482"	275.201657333333	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M-3H"	-3.021828
"508949"	413.306124	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M-3H"	-3.021828
"884565"	137.097190666667	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-3H"	-3.021828
"13718"	413.306124	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M-2H"	-2.014552
"451452"	620.462824	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M-2H"	-2.014552
"827073"	206.149424	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-2H"	-2.014552
"89253"	827.619524	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M-H"	-1.007276
"526624"	1241.932924	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M-H"	-1.007276
"904425"	413.306124	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-H"	-1.007276
"57707"	844.646071	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M-2H+NH4"	16.019271
"498363"	1258.959471	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M-2H+NH4"	16.019271
"875070"	430.332671	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-2H+NH4"	16.019271
"44070"	849.601466	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M-2H+Na"	20.974666
"485451"	1263.914866	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M-2H+Na"	20.974666
"861795"	435.288066	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-2H+Na"	20.974666
"1627685"	435.288066	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Na-2H"	20.974666
"104212"	431.294463	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M-H+Cl"	33.962126
"543774"	638.451163	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M-H+Cl"	33.962126
"938382"	224.137763	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-H+Cl"	33.962126
"279126"	863.596202	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+Cl"	34.969402
"671551"	1277.909602	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+Cl"	34.969402
"1282861"	449.282802	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Cl"	34.969402
"24323"	865.575406	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M-2H+K"	36.948606
"462787"	1279.888806	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M-2H+K"	36.948606
"838037"	451.262006	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-2H+K"	36.948606
"1561894"	451.262006	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+K-2H"	36.948606
"949776"	459.311594	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-H+HCOOH"	44.998194
"362892"	873.625001	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+HCOOH-H"	44.998201
"347498"	887.640651	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+Hac-H"	59.013851
"1494143"	473.327251	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Hac-H"	59.013851
"959377"	481.293551	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-H+NaCOOH"	66.980151
"110466"	449.282802	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+2Cl"	69.938804
"550755"	656.439502	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+2Cl"	69.938804
"1021866"	242.126102	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2Cl"	69.938804
"1243267"	493.232285	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Br"	78.918885
"1305351"	495.288272	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Cl+HCOOH"	80.974872
"1320658"	517.270229	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Cl+NaCOOH"	102.956829
"912813"	527.298986	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M-H+CF3COOH"	112.985586
"1288792"	563.275664	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Cl+CF3COOH"	148.962264
"1367113"	379.300724	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H-2H2O"	-35.012676
"1382788"	397.3107	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H-H2O"	-17.0027
"298313"	829.634076	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+H"	1.007276
"690423"	1243.947476	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+H"	1.007276
"1363490"	415.320676	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H"	1.007276
"136378"	415.320676	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+2H"	2.014552
"574846"	622.477376	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+2H"	2.014552
"1045832"	208.163976	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2H"	2.014552
"214826"	277.216209333333	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+3H"	3.021828
"655485"	415.320676	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+3H"	3.021828
"1170330"	139.111742666667	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+3H"	3.021828
"437250"	846.660623	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+NH4"	18.033823
"795693"	1260.974023	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+NH4"	18.033823
"1692024"	432.347223	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+NH4"	18.033823
"341764"	423.8339495	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+H+NH4"	19.041099
"734185"	630.9906495	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+H+NH4"	19.041099
"1486549"	216.6772495	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H+NH4"	19.041099
"406323"	851.616018	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+Na"	22.989218
"765131"	1265.929418	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+Na"	22.989218
"1611041"	437.302618	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Na"	22.989218
"319985"	426.311647	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+H+Na"	23.996494
"712405"	633.468347	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+H+Na"	23.996494
"1467315"	219.154947	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H+Na"	23.996494
"1056187"	146.439056666667	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2H+Na"	25.00377
"1263331"	447.346886	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+CH3OH+H"	33.033486
"382999"	867.589958	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+K"	38.963158
"742904"	1281.903358	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+K"	38.963158
"1544956"	453.276558	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+K"	38.963158
"301040"	434.298617	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+H+K"	39.970434
"692494"	641.455317	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+H+K"	39.970434
"1451663"	227.141917	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H+K"	39.970434
"245735"	870.660626	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+ACN+H"	42.033826
"1212610"	456.347226	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+ACN+H"	42.033826
"1199774"	228.677251	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+ACN+2H"	43.041102
"194834"	873.59796	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+2Na-H"	44.97116
"635488"	1287.91136	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+2Na-H"	44.97116
"1138630"	459.28456	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2Na-H"	44.97116
"177907"	437.302618	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+2Na"	45.978436
"620749"	644.459318	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+2Na"	45.978436
"1122797"	230.145918	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2Na"	45.978436
"1403769"	153.766370666667	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H+2Na"	46.985712
"1435521"	461.326146	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H+HCOOH"	47.012746
"223758"	442.33564	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+3H2O+2H"	56.04448
"1509631"	475.37819	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+IsoProp+H"	61.06479
"417708"	445.289588	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+Na+K"	61.952376
"784050"	652.446288	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+Na+K"	61.952376
"1680872"	238.132888	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Na+K"	61.952376
"265938"	892.642568	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+ACN+Na"	64.015768
"1239611"	478.329168	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+ACN+Na"	64.015768
"1725337"	478.352693	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+NH4+HCOOH"	64.039293
"1188508"	161.093684666667	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+3Na"	68.967654
"1658400"	483.308088	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Na+HCOOH"	68.994688
"169636"	905.54584	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+2K-H"	76.91904
"604821"	1319.85924	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+2K-H"	76.91904
"1090426"	491.23244	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2K-H"	76.91904
"143232"	453.276558	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"2M+2K"	77.926316
"586808"	660.433258	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"3M+2K"	77.926316
"1075694"	246.119858	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2K"	77.926316
"1102341"	493.246992	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2K+H"	78.933592
"1337632"	493.334607	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+DMSO+H"	79.021207
"1013825"	497.373776	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2ACN+H"	83.060376
"1533042"	498.367408	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+IsoProp+Na+H"	84.054008
"999490"	249.190526	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+2ACN+2H"	84.067652
"1600557"	499.282028	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+K+HCOOH"	84.968628
"1427309"	529.313538	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+H+CF3COOH"	115.000138
"1157597"	269.703801	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+3ACN+2H"	125.094202
"1706055"	546.340085	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+NH4+CF3COOH"	132.026685
"1643891"	551.29548	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+Na+CF3COOH"	136.98208
"1575168"	567.26942	"C14994"	"3-Methoxy-16-octylestra-135(10)-triene-16beta17beta-diol"	"C27H42O3"	"414.3134"	"M+K+CF3COOH"	152.95602
"808817"	330.2195	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M"	0
"975789"	311.20111	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"63302"	219.139057333333	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"503957"	329.212224	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"882124"	109.065890666667	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"15163"	329.212224	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"453750"	494.321974	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"827183"	164.102474	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"87175"	659.431724	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"527828"	989.651224	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"905629"	329.212224	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"56723"	676.458271	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"498473"	1006.677771	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"876275"	346.238771	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"44178"	681.413666	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"483739"	1011.633166	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"862634"	351.194166	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1631074"	351.194166	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"106508"	347.200563	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"544980"	512.310313	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"940679"	182.090813	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"281182"	695.408402	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"672754"	1025.627902	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1285157"	365.188902	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"25528"	697.387606	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"463994"	1027.607106	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"834137"	367.168106	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1559817"	367.168106	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"946970"	375.217694	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"363730"	705.437201	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"348707"	719.452851	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1493282"	389.233351	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"958884"	397.199651	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"110293"	365.188902	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"550091"	530.298652	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1021498"	200.079152	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1241551"	409.138385	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1305826"	411.194372	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1320073"	433.176329	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"911459"	443.205086	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1291091"	479.181764	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1367137"	295.206824	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1383016"	313.2168	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"295922"	661.446276	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"687253"	991.665776	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1361414"	331.226776	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"136489"	331.226776	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"572769"	496.336526	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1043757"	166.117026	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"213844"	221.153609333333	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"656689"	331.226776	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1170440"	111.080442666667	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"437724"	678.472823	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"794710"	1008.692323	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1692134"	348.253323	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"342966"	339.7400495	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"734659"	504.8497995	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1483378"	174.6302995	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"404975"	683.428218	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"767428"	1013.647718	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1610058"	353.208718	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"322283"	342.217747	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"710693"	507.327497	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1464876"	177.107997	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1055567"	118.407756666667	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1260526"	363.252986	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"382017"	699.402158	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"741922"	1029.621658	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1545068"	369.182658	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"301150"	350.204717	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"691627"	515.314467	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1449587"	185.094967	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"246939"	702.472826	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1216367"	372.253326	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1203531"	186.630301	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"194944"	705.41016	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"635598"	1035.62966	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1136552"	375.19066	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"178383"	353.208718	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"620131"	518.318468	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1122907"	188.098968	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1406431"	125.735070666667	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1440372"	377.232246	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"225692"	358.24174	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1512294"	391.28429	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"418911"	361.195688	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"784281"	526.305438	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1675145"	196.085938	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"266772"	724.454768	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1238749"	394.235268	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1728393"	394.258793	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1188617"	133.062384666667	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1660697"	399.214188	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"168652"	737.35804	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"603839"	1067.57754	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1092723"	407.13854	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"142491"	369.182658	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"586918"	534.292408	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1071062"	204.072908	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1101479"	409.153092	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1339932"	409.240707	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1013935"	413.279876	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1532059"	414.273508	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"999600"	207.143576	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1599939"	415.188128	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1427419"	445.219638	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1160989"	227.656851	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1711632"	462.246185	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1638533"	467.20158	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1575278"	483.17552	"C14995"	"3-Methoxy-16-ethylestra-135(10)-triene-16beta17beta-diol"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"808927"	284.2351	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M"	0
"975899"	265.21671	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-H2O-H"	-19.01839
"65234"	188.482790666667	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M-3H"	-3.021828
"504797"	283.227824	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M-3H"	-3.021828
"880412"	93.7377573333333	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-3H"	-3.021828
"13208"	283.227824	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M-2H"	-2.014552
"451674"	425.345374	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M-2H"	-2.014552
"826198"	141.110274	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-2H"	-2.014552
"89472"	567.462924	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M-H"	-1.007276
"525752"	851.698024	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M-H"	-1.007276
"900270"	283.227824	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-H"	-1.007276
"49177"	584.489471	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M-2H+NH4"	16.019271
"489831"	868.724571	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M-2H+NH4"	16.019271
"867633"	300.254371	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-2H+NH4"	16.019271
"44287"	589.444866	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M-2H+Na"	20.974666
"484577"	873.679966	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M-2H+Na"	20.974666
"862742"	305.209766	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-2H+Na"	20.974666
"1632400"	305.209766	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Na-2H"	20.974666
"101150"	301.216163	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M-H+Cl"	33.962126
"546182"	443.333713	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M-H+Cl"	33.962126
"940668"	159.098613	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-H+Cl"	33.962126
"279345"	603.439602	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+Cl"	34.969402
"673835"	887.674702	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+Cl"	34.969402
"1286360"	319.204502	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Cl"	34.969402
"25638"	605.418806	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M-2H+K"	36.948606
"466290"	889.653906	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M-2H+K"	36.948606
"836437"	321.183706	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-2H+K"	36.948606
"1559562"	321.183706	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+K-2H"	36.948606
"946716"	329.233294	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-H+HCOOH"	44.998194
"368215"	613.468401	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+HCOOH-H"	44.998201
"353191"	627.484051	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+Hac-H"	59.013851
"1493274"	343.248951	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Hac-H"	59.013851
"959358"	351.215251	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-H+NaCOOH"	66.980151
"110284"	319.204502	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+2Cl"	69.938804
"550011"	461.322052	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+2Cl"	69.938804
"1021393"	177.086952	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2Cl"	69.938804
"1241388"	363.153985	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Br"	78.918885
"1306666"	365.209972	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Cl+HCOOH"	80.974872
"1322704"	387.191929	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Cl+NaCOOH"	102.956829
"916315"	397.220686	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M-H+CF3COOH"	112.985586
"1297397"	433.197364	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Cl+CF3COOH"	148.962264
"1371550"	249.222424	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H-2H2O"	-35.012676
"1383214"	267.2324	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H-H2O"	-17.0027
"296032"	569.477476	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+H"	1.007276
"684083"	853.712576	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+H"	1.007276
"1358243"	285.242376	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H"	1.007276
"135506"	285.242376	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+2H"	2.014552
"571786"	427.359926	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+2H"	2.014552
"1047147"	143.124826	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2H"	2.014552
"216141"	190.497342666667	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+3H"	3.021828
"656799"	285.242376	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+3H"	3.021828
"1173830"	95.7523093333333	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+3H"	3.021828
"438077"	586.504023	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+NH4"	18.033823
"794820"	870.739123	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+NH4"	18.033823
"1692244"	302.268923	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+NH4"	18.033823
"341617"	293.7556495	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+H+NH4"	19.041099
"737324"	435.8731995	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+H+NH4"	19.041099
"1487862"	151.6380995	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H+NH4"	19.041099
"404356"	591.459418	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+Na"	22.989218
"763165"	875.694518	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+Na"	22.989218
"1610168"	307.224318	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Na"	22.989218
"316925"	296.233347	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+H+Na"	23.996494
"709345"	438.350897	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+H+Na"	23.996494
"1466442"	154.115797	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H+Na"	23.996494
"1056407"	103.079623333333	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2H+Na"	25.00377
"1264643"	317.268586	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+CH3OH+H"	33.033486
"385406"	607.433358	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+K"	38.963158
"745308"	891.668458	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+K"	38.963158
"1541897"	323.198258	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+K"	38.963158
"303443"	304.220317	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+H+K"	39.970434
"694769"	446.337867	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+H+K"	39.970434
"1447875"	162.102767	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H+K"	39.970434
"236717"	610.504026	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+ACN+H"	42.033826
"1211737"	326.268926	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+ACN+H"	42.033826
"1204734"	163.638101	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+ACN+2H"	43.041102
"194689"	613.44136	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+2Na-H"	44.97116
"635707"	897.67646	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+2Na-H"	44.97116
"1137391"	329.20626	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2Na-H"	44.97116
"177400"	307.224318	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+2Na"	45.978436
"621336"	449.341868	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+2Na"	45.978436
"1124842"	165.106768	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2Na"	45.978436
"1409459"	110.406937333333	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H+2Na"	46.985712
"1443033"	331.247846	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H+HCOOH"	47.012746
"225802"	312.25734	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+3H2O+2H"	56.04448
"1511311"	345.29989	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+IsoProp+H"	61.06479
"417927"	315.211288	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+Na+K"	61.952376
"784391"	457.328838	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+Na+K"	61.952376
"1678535"	173.093738	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Na+K"	61.952376
"266760"	632.485968	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+ACN+Na"	64.015768
"1240442"	348.250868	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+ACN+Na"	64.015768
"1727868"	348.274393	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+NH4+HCOOH"	64.039293
"1192007"	117.734251333333	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+3Na"	68.967654
"1660807"	353.229788	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Na+HCOOH"	68.994688
"169855"	645.38924	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+2K-H"	76.91904
"603949"	929.62434	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+2K-H"	76.91904
"1088460"	361.15414	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2K-H"	76.91904
"144181"	323.198258	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"2M+2K"	77.926316
"584841"	465.315808	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"3M+2K"	77.926316
"1071538"	181.080708	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2K"	77.926316
"1101101"	363.168692	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2K+H"	78.933592
"1337855"	363.256307	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+DMSO+H"	79.021207
"1016231"	367.295476	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2ACN+H"	83.060376
"1533262"	368.289108	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+IsoProp+Na+H"	84.054008
"999710"	184.151376	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+2ACN+2H"	84.067652
"1599684"	369.203728	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+K+HCOOH"	84.968628
"1427529"	399.235238	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+H+CF3COOH"	115.000138
"1161099"	204.664651	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+3ACN+2H"	125.094202
"1711378"	416.261785	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+NH4+CF3COOH"	132.026685
"1638643"	421.21718	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+Na+CF3COOH"	136.98208
"1575388"	437.19112	"C14996"	"12-(23-Dihydroxycyclopentyl)-2-dodecanone"	"C17H32O3"	"284.2351"	"M+K+CF3COOH"	152.95602
"809037"	330.1103	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M"	0
"979289"	311.09191	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H2O-H"	-19.01839
"71908"	219.066257333333	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-3H"	-3.021828
"506000"	329.103024	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-3H"	-3.021828
"890366"	109.029490666667	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-3H"	-3.021828
"11131"	329.103024	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H"	-2.014552
"447413"	494.158174	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H"	-2.014552
"825212"	164.047874	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H"	-2.014552
"83380"	659.213324	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-H"	-1.007276
"521482"	989.323624	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-H"	-1.007276
"898192"	329.103024	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H"	-1.007276
"48921"	676.239871	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H+NH4"	16.019271
"498690"	1006.350171	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H+NH4"	16.019271
"871024"	346.129571	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H+NH4"	16.019271
"44397"	681.195266	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H+Na"	20.974666
"483961"	1011.305566	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H+Na"	20.974666
"863221"	351.084966	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H+Na"	20.974666
"1631292"	351.084966	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na-2H"	20.974666
"104543"	347.091363	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-H+Cl"	33.962126
"543011"	512.146513	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-H+Cl"	33.962126
"937619"	182.036213	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+Cl"	33.962126
"280675"	695.190002	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Cl"	34.969402
"671879"	1025.300302	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+Cl"	34.969402
"1276995"	365.079702	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl"	34.969402
"20280"	697.169206	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H+K"	36.948606
"458019"	1027.279506	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H+K"	36.948606
"839827"	367.058906	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H+K"	36.948606
"1557121"	367.058906	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K-2H"	36.948606
"952296"	375.108494	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+HCOOH"	44.998194
"362859"	705.218801	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+HCOOH-H"	44.998201
"346006"	719.234451	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Hac-H"	59.013851
"1492746"	389.124151	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Hac-H"	59.013851
"959102"	397.090451	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+NaCOOH"	66.980151
"110191"	365.079702	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2Cl"	69.938804
"552666"	530.134852	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2Cl"	69.938804
"1022559"	200.024552	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2Cl"	69.938804
"1242867"	409.029185	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Br"	78.918885
"1306409"	411.085172	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl+HCOOH"	80.974872
"1321721"	433.067129	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl+NaCOOH"	102.956829
"912415"	443.095886	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+CF3COOH"	112.985586
"1290946"	479.072564	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl+CF3COOH"	148.962264
"1367648"	295.097624	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H-2H2O"	-35.012676
"1383804"	313.1076	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H-H2O"	-17.0027
"291769"	661.227876	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H"	1.007276
"688567"	991.338176	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H"	1.007276
"1360543"	331.117576	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H"	1.007276
"132337"	331.117576	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2H"	2.014552
"579553"	496.172726	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2H"	2.014552
"1046165"	166.062426	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2H"	2.014552
"210785"	221.080809333333	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+3H"	3.021828
"655816"	331.117576	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+3H"	3.021828
"1175036"	111.044042666667	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+3H"	3.021828
"438556"	678.254423	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+NH4"	18.033823
"796023"	1008.364723	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+NH4"	18.033823
"1694542"	348.144123	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+NH4"	18.033823
"341364"	339.6308495	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H+NH4"	19.041099
"735973"	504.6859995	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H+NH4"	19.041099
"1486881"	174.5756995	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+NH4"	19.041099
"402280"	683.209818	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Na"	22.989218
"757808"	1013.320118	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+Na"	22.989218
"1609184"	353.099518	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na"	22.989218
"318127"	342.108547	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H+Na"	23.996494
"713826"	507.163697	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H+Na"	23.996494
"1468010"	177.053397	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+Na"	23.996494
"1057611"	118.371356666667	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2H+Na"	25.00377
"1263660"	363.143786	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+CH3OH+H"	33.033486
"383328"	699.183758	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+K"	38.963158
"744327"	1029.294058	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+K"	38.963158
"1545285"	369.073458	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K"	38.963158
"301367"	350.095517	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H+K"	39.970434
"695975"	515.150667	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H+K"	39.970434
"1449078"	185.040367	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+K"	39.970434
"247159"	702.254426	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+ACN+H"	42.033826
"1219868"	372.144126	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+ACN+H"	42.033826
"1203753"	186.575701	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+ACN+2H"	43.041102
"195163"	705.19176	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2Na-H"	44.97116
"636186"	1035.30206	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2Na-H"	44.97116
"1137139"	375.08146	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2Na-H"	44.97116
"180795"	353.099518	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2Na"	45.978436
"621450"	518.154668	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2Na"	45.978436
"1120942"	188.044368	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2Na"	45.978436
"1405197"	125.698670666667	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+2Na"	46.985712
"1439499"	377.123046	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+HCOOH"	47.012746
"225912"	358.13254	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+3H2O+2H"	56.04448
"1517255"	391.17509	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+IsoProp+H"	61.06479
"418036"	361.086488	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Na+K"	61.952376
"782318"	526.141638	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+Na+K"	61.952376
"1677557"	196.031338	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na+K"	61.952376
"260797"	724.236368	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+ACN+Na"	64.015768
"1236787"	394.126068	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+ACN+Na"	64.015768
"1726523"	394.149593	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+NH4+HCOOH"	64.039293
"1191024"	133.025984666667	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+3Na"	68.967654
"1657638"	399.104988	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na+HCOOH"	68.994688
"166685"	737.13964	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2K-H"	76.91904
"601870"	1067.24994	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2K-H"	76.91904
"1088569"	407.02934	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2K-H"	76.91904
"146480"	369.073458	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2K"	77.926316
"584222"	534.128608	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2K"	77.926316
"1068515"	204.018308	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2K"	77.926316
"1107781"	409.043892	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2K+H"	78.933592
"1340153"	409.131507	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+DMSO+H"	79.021207
"1015248"	413.170676	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2ACN+H"	83.060376
"1530092"	414.164308	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+IsoProp+Na+H"	84.054008
"1002010"	207.088976	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2ACN+2H"	84.067652
"1599794"	415.078928	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K+HCOOH"	84.968628
"1428738"	445.110438	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+CF3COOH"	115.000138
"1162062"	227.602251	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+3ACN+2H"	125.094202
"1712099"	462.136985	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+NH4+CF3COOH"	132.026685
"1644222"	467.09238	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na+CF3COOH"	136.98208
"1572215"	483.06632	"C14997"	"23-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;6-Hydroxy-457-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K+CF3COOH"	152.95602
"801514"	340.2515	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M"	0
"975145"	321.23311	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H2O-H"	-19.01839
"63390"	225.827057333333	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-3H"	-3.021828
"507203"	339.244224	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-3H"	-3.021828
"887195"	112.409890666667	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-3H"	-3.021828
"4679"	339.244224	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H"	-2.014552
"442053"	509.369974	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H"	-2.014552
"819853"	169.118474	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H"	-2.014552
"79839"	679.495724	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-H"	-1.007276
"518607"	1019.747224	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-H"	-1.007276
"896223"	339.244224	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H"	-1.007276
"48664"	696.522271	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H+NH4"	16.019271
"490050"	1036.773771	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H+NH4"	16.019271
"871134"	356.270771	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H+NH4"	16.019271
"32468"	701.477666	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H+Na"	20.974666
"474588"	1041.729166	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H+Na"	20.974666
"853120"	361.226166	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H+Na"	20.974666
"1618722"	361.226166	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na-2H"	20.974666
"95536"	357.232563	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-H+Cl"	33.962126
"545306"	527.358313	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-H+Cl"	33.962126
"939915"	187.106813	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+Cl"	33.962126
"281757"	715.472402	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Cl"	34.969402
"674667"	1055.723902	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+Cl"	34.969402
"1283300"	375.220902	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl"	34.969402
"23670"	717.451606	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H+K"	36.948606
"467604"	1057.703106	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H+K"	36.948606
"838844"	377.200106	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H+K"	36.948606
"1565614"	377.200106	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K-2H"	36.948606
"952406"	385.249694	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+HCOOH"	44.998194
"362358"	725.501201	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+HCOOH-H"	44.998201
"346601"	739.516851	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Hac-H"	59.013851
"1493735"	399.265351	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Hac-H"	59.013851
"960301"	407.231651	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+NaCOOH"	66.980151
"112852"	375.220902	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2Cl"	69.938804
"552048"	545.346652	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2Cl"	69.938804
"1025223"	205.095152	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2Cl"	69.938804
"1245166"	419.170385	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Br"	78.918885
"1306883"	421.226372	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl+HCOOH"	80.974872
"1321100"	443.208329	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl+NaCOOH"	102.956829
"912525"	453.237086	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+CF3COOH"	112.985586
"1288988"	489.213764	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl+CF3COOH"	148.962264
"1368119"	305.238824	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H-2H2O"	-35.012676
"1384892"	323.2488	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H-H2O"	-17.0027
"284222"	681.510276	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H"	1.007276
"684302"	1021.761776	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H"	1.007276
"1362838"	341.258776	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H"	1.007276
"132446"	341.258776	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2H"	2.014552
"579663"	511.384526	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2H"	2.014552
"1050649"	171.133026	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2H"	2.014552
"213078"	227.841609333333	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+3H"	3.021828
"659885"	341.258776	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+3H"	3.021828
"1177707"	114.424442666667	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+3H"	3.021828
"439717"	698.536823	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+NH4"	18.033823
"796132"	1038.788323	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+NH4"	18.033823
"1695745"	358.285323	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+NH4"	18.033823
"344026"	349.7720495	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H+NH4"	19.041099
"737864"	519.8977995	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H+NH4"	19.041099
"1484799"	179.6462995	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+NH4"	19.041099
"399104"	703.492218	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Na"	22.989218
"759005"	1043.743718	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+Na"	22.989218
"1610383"	363.240718	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na"	22.989218
"317140"	352.249747	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H+Na"	23.996494
"709560"	522.375497	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H+Na"	23.996494
"1468844"	182.123997	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+Na"	23.996494
"1054438"	121.751756666667	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2H+Na"	25.00377
"1265955"	373.284986	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+CH3OH+H"	33.033486
"380158"	719.466158	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+K"	38.963158
"741152"	1059.717658	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+K"	38.963158
"1540327"	379.214658	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K"	38.963158
"299650"	360.236717	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H+K"	39.970434
"692802"	530.362467	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H+K"	39.970434
"1446634"	190.110967	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+K"	39.970434
"241801"	722.536826	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+ACN+H"	42.033826
"1219979"	382.285326	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+ACN+H"	42.033826
"1199851"	191.646301	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+ACN+2H"	43.041102
"194546"	725.47416	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2Na-H"	44.97116
"635927"	1065.72566	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2Na-H"	44.97116
"1137615"	385.22266	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2Na-H"	44.97116
"179079"	363.240718	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2Na"	45.978436
"618644"	533.366468	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2Na"	45.978436
"1120688"	193.114968	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2Na"	45.978436
"1405305"	129.079070666667	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+2Na"	46.985712
"1437422"	387.264246	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+HCOOH"	47.012746
"226022"	368.27374	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+3H2O+2H"	56.04448
"1509709"	401.31629	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+IsoProp+H"	61.06479
"411584"	371.227688	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Na+K"	61.952376
"775863"	541.353438	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+Na+K"	61.952376
"1675475"	201.101938	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na+K"	61.952376
"260903"	744.518768	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+ACN+Na"	64.015768
"1235799"	404.267268	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+ACN+Na"	64.015768
"1720310"	404.290793	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+NH4+HCOOH"	64.039293
"1185666"	136.406384666667	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+3Na"	68.967654
"1657746"	409.246188	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na+HCOOH"	68.994688
"163514"	757.42204	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2K-H"	76.91904
"600887"	1097.67354	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2K-H"	76.91904
"1086491"	417.17054	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2K-H"	76.91904
"146590"	379.214658	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2K"	77.926316
"581901"	549.340408	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2K"	77.926316
"1068842"	209.088908	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2K"	77.926316
"1109713"	419.185092	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2K+H"	78.933592
"1337347"	419.272707	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+DMSO+H"	79.021207
"1012078"	423.311876	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2ACN+H"	83.060376
"1530202"	424.305508	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+IsoProp+Na+H"	84.054008
"1002120"	212.159576	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2ACN+2H"	84.067652
"1599904"	425.220128	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K+HCOOH"	84.968628
"1429783"	455.251638	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+CF3COOH"	115.000138
"1162051"	232.672851	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+3ACN+2H"	125.094202
"1712451"	472.278185	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+NH4+CF3COOH"	132.026685
"1644332"	477.23358	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na+CF3COOH"	136.98208
"1572690"	493.20752	"C14998"	"17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K+CF3COOH"	152.95602
"801487"	314.1882	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M"	0
"977321"	295.16981	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"64472"	208.451524	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"505126"	313.180924	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"887305"	103.722124	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"1873"	313.180924	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"441554"	470.275024	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"818142"	156.086824	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"78733"	627.369124	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"519138"	941.557324	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"897669"	313.180924	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"47552"	644.395671	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"489067"	958.583871	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"867964"	330.207471	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"32214"	649.351066	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"476521"	963.539266	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"851042"	335.162866	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1618905"	335.162866	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"95035"	331.169263	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"538854"	488.263363	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"940025"	174.075163	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"282680"	663.345802	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"675506"	977.534002	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1283410"	349.157602	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"27060"	665.325006	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"467714"	979.513206	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"838954"	351.136806	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1567911"	351.136806	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"952516"	359.186394	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"361620"	673.374601	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"346955"	687.390251	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1493239"	373.202051	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"959803"	381.168351	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"111869"	349.157602	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"551431"	506.251702	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1024969"	192.063502	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1244547"	393.107085	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1311370"	395.163072	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1325587"	417.145029	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"912994"	427.173786	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1289823"	463.150464	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1368593"	279.175524	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1383411"	297.1855	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"284687"	629.383676	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"684408"	943.571876	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1354200"	315.195476	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"131463"	315.195476	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"571021"	472.289576	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1049666"	158.101376	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"213189"	210.466076	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"652754"	315.195476	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1176837"	105.736676	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"438043"	646.410223	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"792962"	960.598423	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1695855"	332.222023	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"343042"	323.7087495	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"737284"	480.8028495	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1484909"	166.6146495	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"401401"	651.365618	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"758022"	965.553818	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1610494"	337.177418	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"316157"	326.186447	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"707969"	483.280547	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1465677"	169.092347	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1056736"	113.06399	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1263879"	347.221686	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"383548"	667.339558	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"742355"	981.527758	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1542220"	353.151358	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"299760"	334.173417	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"692062"	491.267517	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1446733"	177.079317	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"238986"	670.410226	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1210609"	356.222026	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1199597"	178.614651	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"195020"	673.34756	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"634580"	987.53576	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1138818"	359.15936	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"178461"	337.177418	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"620576"	494.271518	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1119339"	180.083318	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1404322"	120.391304	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1433520"	361.200946	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"223944"	342.21044	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1512006"	375.25299	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"410234"	345.164388	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"771595"	502.258488	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1672304"	188.070288	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"261013"	692.392168	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1239189"	378.203968	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1717140"	378.227493	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1189056"	127.718618	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1658949"	383.182888	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"166904"	705.29544	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"600997"	1019.48364	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1085509"	391.10724	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"148887"	353.151358	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"581768"	510.245458	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1069683"	196.057258	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1103989"	393.121792	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1336360"	393.209407	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1009999"	397.248576	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1530312"	398.242208	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"1002230"	199.127926	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1600014"	399.156828	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1426769"	429.188338	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1155963"	219.641201	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1711468"	446.214885	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1641162"	451.17028	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1571337"	467.14422	"C14999"	"10-Hydroxyestra-14-dien-3-one acetate"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"803899"	378.2195	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M"	0
"979618"	359.20111	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-H2O-H"	-19.01839
"64582"	251.139057333333	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M-3H"	-3.021828
"504139"	377.212224	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M-3H"	-3.021828
"887415"	125.065890666667	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-3H"	-3.021828
"5992"	377.212224	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M-2H"	-2.014552
"442271"	566.321974	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M-2H"	-2.014552
"817882"	188.102474	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-2H"	-2.014552
"80186"	755.431724	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M-H"	-1.007276
"519010"	1133.651224	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M-H"	-1.007276
"896325"	377.212224	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-H"	-1.007276
"47904"	772.458271	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M-2H+NH4"	16.019271
"488073"	1150.677771	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M-2H+NH4"	16.019271
"868074"	394.238771	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-2H+NH4"	16.019271
"31837"	777.413666	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M-2H+Na"	20.974666
"477724"	1155.633166	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M-2H+Na"	20.974666
"851151"	399.194166	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-2H+Na"	20.974666
"1621779"	399.194166	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Na-2H"	20.974666
"95145"	395.200563	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M-H+Cl"	33.962126
"538964"	584.310313	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M-H+Cl"	33.962126
"941959"	206.090813	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-H+Cl"	33.962126
"282821"	791.408402	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+Cl"	34.969402
"675373"	1169.627902	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+Cl"	34.969402
"1286680"	413.188902	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Cl"	34.969402
"24984"	793.387606	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M-2H+K"	36.948606
"466731"	1171.607106	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M-2H+K"	36.948606
"845624"	415.168106	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-2H+K"	36.948606
"1566928"	415.168106	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+K-2H"	36.948606
"951534"	423.217694	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-H+HCOOH"	44.998194
"366470"	801.437201	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+HCOOH-H"	44.998201
"346705"	815.452851	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+Hac-H"	59.013851
"1493586"	437.233351	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Hac-H"	59.013851
"960275"	445.199651	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-H+NaCOOH"	66.980151
"113073"	413.188902	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+2Cl"	69.938804
"553729"	602.298652	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+2Cl"	69.938804
"1030548"	224.079152	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2Cl"	69.938804
"1250127"	457.138385	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Br"	78.918885
"1311481"	459.194372	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Cl+HCOOH"	80.974872
"1324967"	481.176329	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Cl+NaCOOH"	102.956829
"914568"	491.205086	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M-H+CF3COOH"	112.985586
"1292734"	527.181764	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Cl+CF3COOH"	148.962264
"1371625"	343.206824	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H-2H2O"	-35.012676
"1384741"	361.2168	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H-H2O"	-17.0027
"290998"	757.446276	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+H"	1.007276
"686706"	1135.665776	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+H"	1.007276
"1354310"	379.226776	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H"	1.007276
"129383"	379.226776	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+2H"	2.014552
"573318"	568.336526	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+2H"	2.014552
"1049775"	190.117026	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2H"	2.014552
"215486"	253.153609333333	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+3H"	3.021828
"656144"	379.226776	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+3H"	3.021828
"1177433"	127.080442666667	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+3H"	3.021828
"438885"	774.472823	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+NH4"	18.033823
"796352"	1152.692323	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+NH4"	18.033823
"1692686"	396.253323	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+NH4"	18.033823
"343151"	387.7400495	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+H+NH4"	19.041099
"734481"	576.8497995	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+H+NH4"	19.041099
"1482832"	198.6302995	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H+NH4"	19.041099
"398231"	779.428218	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+Na"	22.989218
"758134"	1157.647718	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+Na"	22.989218
"1610605"	401.208718	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Na"	22.989218
"319549"	390.217747	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+H+Na"	23.996494
"713062"	579.327497	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+H+Na"	23.996494
"1464694"	201.107997	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H+Na"	23.996494
"1055752"	134.407756666667	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2H+Na"	25.00377
"1262899"	411.252986	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+CH3OH+H"	33.033486
"383660"	795.402158	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+K"	38.963158
"742466"	1173.621658	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+K"	38.963158
"1545613"	417.182658	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+K"	38.963158
"300967"	398.204717	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+H+K"	39.970434
"693387"	587.314467	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+H+K"	39.970434
"1447941"	209.094967	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H+K"	39.970434
"237640"	798.472826	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+ACN+H"	42.033826
"1214723"	420.253326	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+ACN+H"	42.033826
"1194354"	210.630301	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+ACN+2H"	43.041102
"195861"	801.41016	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+2Na-H"	44.97116
"635423"	1179.62966	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+2Na-H"	44.97116
"1140021"	423.19066	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2Na-H"	44.97116
"178936"	401.208718	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+2Na"	45.978436
"620686"	590.318468	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+2Na"	45.978436
"1119816"	212.098968	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2Na"	45.978436
"1404432"	141.735070666667	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H+2Na"	46.985712
"1437640"	425.232246	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H+HCOOH"	47.012746
"226242"	406.24174	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+3H2O+2H"	56.04448
"1518683"	439.28429	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+IsoProp+H"	61.06479
"419459"	409.195688	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+Na+K"	61.952376
"777173"	598.305438	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+Na+K"	61.952376
"1672415"	220.085938	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Na+K"	61.952376
"264404"	820.454768	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+ACN+Na"	64.015768
"1239299"	442.235268	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+ACN+Na"	64.015768
"1717250"	442.258793	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+NH4+HCOOH"	64.039293
"1189166"	149.062384666667	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+3Na"	68.967654
"1652499"	447.214188	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Na+HCOOH"	68.994688
"163734"	833.35804	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+2K-H"	76.91904
"602200"	1211.57754	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+2K-H"	76.91904
"1086712"	455.13854	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2K-H"	76.91904
"148997"	417.182658	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"2M+2K"	77.926316
"582240"	606.292408	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"3M+2K"	77.926316
"1069305"	228.072908	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2K"	77.926316
"1104099"	457.153092	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2K+H"	78.933592
"1337445"	457.240707	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+DMSO+H"	79.021207
"1009016"	461.279876	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2ACN+H"	83.060376
"1530422"	462.273508	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+IsoProp+Na+H"	84.054008
"999060"	231.143576	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+2ACN+2H"	84.067652
"1600124"	463.188128	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+K+HCOOH"	84.968628
"1424692"	493.219638	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+H+CF3COOH"	115.000138
"1156073"	251.656851	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+3ACN+2H"	125.094202
"1709996"	510.246185	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+NH4+CF3COOH"	132.026685
"1641272"	515.20158	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+Na+CF3COOH"	136.98208
"1572181"	531.17552	"C15000"	"17beta-(Benzoyloxy)-B-norandrost-4-en-3-one"	"C25H30O3"	"378.2195"	"M+K+CF3COOH"	152.95602
"802186"	344.2351	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M"	0
"974242"	325.21671	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"65789"	228.482790666667	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"506443"	343.227824	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"884246"	113.737757333333	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"2092"	343.227824	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"442382"	515.345374	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"817339"	171.110274	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"79030"	687.462924	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"519483"	1031.698024	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"895946"	343.227824	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"47487"	704.489471	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"487253"	1048.724571	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"865268"	360.254371	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"33900"	709.444866	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"478928"	1053.679966	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"852357"	365.209766	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1621889"	365.209766	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"94810"	361.216163	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"535181"	533.333713	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"936963"	189.098613	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"278803"	723.439602	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"672318"	1067.674702	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1281441"	379.204502	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"27279"	725.418806	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"464653"	1069.653906	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"842457"	381.183706	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1568134"	381.183706	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"952738"	389.233294	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"368767"	733.468401	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"347303"	747.484051	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1494188"	403.248951	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"958933"	411.215251	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"111605"	379.204502	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"551651"	551.322052	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1021907"	207.086952	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1242581"	423.153985	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1305759"	425.209972	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1324715"	447.191929	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"912126"	457.220686	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1289563"	493.197364	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1367841"	309.222424	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1384859"	327.2324	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"290022"	689.477476	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"681351"	1033.712576	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1356606"	345.242376	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"129858"	345.242376	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"574525"	517.359926	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1045511"	173.124826	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"218518"	230.497342666667	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"658445"	345.242376	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1174384"	115.752309333333	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"434373"	706.504023	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"797556"	1050.739123	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1690609"	362.268923	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"339980"	353.7556495	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"731308"	525.8731995	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1481850"	181.6380995	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"399435"	711.459418	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"757151"	1055.694518	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1607435"	367.224318	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"316381"	356.233347	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"712079"	528.350897	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1466991"	184.115797	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1058052"	123.079623333333	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1261914"	377.268586	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"383769"	727.433358	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"742577"	1071.668458	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1542808"	383.198258	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"299619"	364.220317	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"694232"	536.337867	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1450243"	192.102767	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"238479"	730.504026	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1212652"	386.268926	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1204924"	193.638101	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"194148"	733.44136	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"633707"	1077.67646	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1135388"	389.20626	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"182326"	367.224318	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"619701"	539.341868	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1124302"	195.106768	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1402357"	130.406937333333	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1441033"	391.247846	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"228539"	372.25734	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1517695"	405.29989	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"415194"	375.211288	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"778380"	547.328838	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1673619"	203.093738	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"262327"	752.485968	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1239410"	408.250868	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1720643"	408.274393	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1187090"	137.734251333333	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1655889"	413.229788	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"163844"	765.38924	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"603404"	1109.62434	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1091197"	421.15414	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"151300"	383.198258	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"585392"	555.315808	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1070027"	211.080708	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1101171"	423.168692	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1343879"	423.256307	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1016784"	427.295476	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1532722"	428.289108	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"1001357"	214.151376	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1595861"	429.203728	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1424801"	459.235238	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1152901"	234.664651	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1706825"	476.261785	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1641381"	481.21718	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1572655"	497.19112	"C15001"	"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"801454"	346.2144	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M"	0
"974424"	327.19601	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"65899"	229.802324	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"505824"	345.207124	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"884356"	114.397524	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"1837"	345.207124	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"440670"	518.314324	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"817330"	172.099924	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"78588"	691.421524	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"518986"	1037.635924	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"895969"	345.207124	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"47263"	708.448071	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"487244"	1054.662471	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"864768"	362.233671	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"34009"	713.403466	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"475757"	1059.617866	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"851373"	367.189066	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1618920"	367.189066	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"95247"	363.195463	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"535172"	536.302663	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"935979"	190.088263	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"275633"	727.398202	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"666961"	1073.612602	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1281551"	381.183802	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"27389"	729.377406	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"464763"	1075.591806	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"841474"	383.163006	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1568244"	383.163006	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"952848"	391.212594	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"368877"	737.427001	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"345873"	751.442651	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1492795"	405.228251	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"958611"	413.194551	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"110742"	381.183802	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"551397"	554.291002	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1021691"	208.076602	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1241962"	425.133285	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1304776"	427.189272	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1321907"	449.171229	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"912236"	459.199986	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1290038"	495.176664	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1368559"	311.201724	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1385331"	329.2117	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"285756"	693.436076	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"682555"	1039.650476	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1354530"	347.221676	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"130700"	347.221676	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"573541"	520.328876	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1045621"	174.114476	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"215713"	231.816876	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"657461"	347.221676	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1171214"	116.412076	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"431203"	710.462623	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"794386"	1056.677023	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1689625"	364.248223	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"338997"	355.7349495	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"730326"	528.8421495	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1479774"	182.6277495	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"395537"	715.418018	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"754249"	1061.632418	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1604266"	369.203618	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"314787"	358.212647	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"709637"	531.319847	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1464188"	185.105447	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1057067"	123.73939	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1258137"	379.247886	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"380601"	731.391958	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"740135"	1077.606358	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1540972"	385.177558	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"299485"	366.199617	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"691667"	539.306817	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1446221"	193.092417	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"236766"	734.462626	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1211784"	388.248226	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1194695"	194.627751	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"196081"	737.39996	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"633453"	1083.61436	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1139146"	391.18556	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"181343"	369.203618	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"620904"	542.310818	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1124412"	196.096418	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1404654"	131.066704	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1441142"	393.227146	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"227556"	374.23664	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1511242"	407.27919	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"409468"	377.190588	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"777394"	550.297788	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1672636"	204.083388	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"260249"	756.444568	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1239885"	410.230168	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1717472"	410.253693	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1187200"	138.394018	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1655999"	415.209088	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"160674"	769.34784	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"598407"	1115.56224	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1086204"	423.13344	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"151410"	385.177558	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"585502"	558.284758	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1070137"	212.070358	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1101402"	425.147992	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1343989"	425.235607	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1016894"	429.274776	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1532832"	430.268408	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"1001467"	215.141026	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1599251"	431.183028	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1422725"	461.214538	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1157386"	235.654301	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1709122"	478.241085	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1641492"	483.19648	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1572399"	499.17042	"C15002"	"11alpha15alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"802042"	302.2246	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M"	0
"974966"	283.20621	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"67466"	200.475790666667	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"507391"	301.217324	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"885559"	99.7342573333333	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"2312"	301.217324	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"440413"	452.329624	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"817400"	150.105024	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"79291"	603.441924	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"519825"	905.666524	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"896770"	301.217324	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"47988"	620.468471	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"487667"	922.693071	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"864999"	318.243871	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"34483"	625.423866	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"476960"	927.648466	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"849045"	323.199266	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1619556"	323.199266	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"95356"	319.205663	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"539290"	470.317963	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"932442"	168.093363	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"275743"	639.418602	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"667071"	941.643202	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1279474"	337.194002	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"24218"	641.397806	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"461593"	943.622406	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"842677"	339.173206	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1568352"	339.173206	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"956605"	347.222794	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"371174"	649.447401	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"350683"	663.463051	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1494046"	361.238451	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"959397"	369.204751	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"111336"	337.194002	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"551508"	488.306302	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1022858"	186.081702	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1242436"	381.143485	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1305979"	383.199472	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1323841"	405.181429	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"913804"	415.210186	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1291606"	451.186864	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1368671"	267.211924	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1386170"	285.2219	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"285866"	605.456476	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"678291"	907.681076	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1354639"	303.231876	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"129716"	303.231876	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"574744"	454.344176	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1042449"	152.119576	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"214728"	202.490342666667	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"656476"	303.231876	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1175698"	101.748809333333	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"436781"	622.483023	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"791217"	924.707623	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1691923"	320.258423	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"339106"	311.7451495	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"731531"	462.8574495	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1479885"	160.6328495	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"395285"	627.438418	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"756279"	929.663018	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1603768"	325.213818	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"315140"	314.222847	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"707923"	465.335147	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1463568"	163.110547	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1058271"	109.076123333333	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1263230"	335.258086	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"382898"	643.412358	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"740974"	945.636958	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1541570"	341.187758	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"300323"	322.209817	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"692142"	473.322117	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1446208"	171.097517	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"236022"	646.483026	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1211409"	344.258426	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1194808"	172.632851	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"197284"	649.42036	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"632834"	951.64496	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1138163"	347.19576	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"180360"	325.213818	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"622107"	476.326118	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1124522"	174.101518	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1403671"	116.403437333333	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1440158"	349.237346	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"227666"	330.24684	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1513539"	363.28939	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"416507"	333.200788	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"778597"	484.313088	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1671647"	182.088488	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"259266"	668.464968	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1236348"	366.240368	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1715396"	366.263893	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1184030"	123.730751333333	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1653922"	371.219288	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"160784"	681.36824	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"600342"	983.59284	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1086066"	379.14364	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"141921"	341.187758	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"584519"	492.300058	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1069275"	190.075458	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1101270"	381.158192	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1343006"	381.245807	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1015911"	385.284976	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1532942"	386.278608	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"997204"	193.146126	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1598268"	387.193228	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1423929"	417.224738	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1156403"	213.659401	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1707045"	434.251285	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1641602"	439.20668	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1572145"	455.18062	"C15003"	"17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"802516"	322.17	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M"	0
"976777"	303.15161	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-H2O-H"	-19.01839
"66117"	213.772724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M-3H"	-3.021828
"505678"	321.162724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M-3H"	-3.021828
"882386"	106.382724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-3H"	-3.021828
"5335"	321.162724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M-2H"	-2.014552
"445988"	482.247724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M-2H"	-2.014552
"818685"	160.077724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-2H"	-2.014552
"80866"	643.332724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M-H"	-1.007276
"520060"	965.502724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M-H"	-1.007276
"896642"	321.162724	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-H"	-1.007276
"47328"	660.359271	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M-2H+NH4"	16.019271
"487337"	982.529271	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M-2H+NH4"	16.019271
"868511"	338.189271	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-2H+NH4"	16.019271
"34228"	665.314666	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M-2H+Na"	20.974666
"478163"	987.484666	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M-2H+Na"	20.974666
"852683"	343.144666	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-2H+Na"	20.974666
"1619535"	343.144666	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Na-2H"	20.974666
"95466"	339.151063	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M-H+Cl"	33.962126
"538307"	500.236063	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M-H+Cl"	33.962126
"931823"	178.066063	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-H+Cl"	33.962126
"275853"	679.309402	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+Cl"	34.969402
"666088"	1001.479402	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+Cl"	34.969402
"1279585"	357.139402	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Cl"	34.969402
"24328"	681.288606	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M-2H+K"	36.948606
"460610"	1003.458606	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M-2H+K"	36.948606
"842787"	359.118606	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-2H+K"	36.948606
"1567369"	359.118606	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+K-2H"	36.948606
"955985"	367.168194	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-H+HCOOH"	44.998194
"366910"	689.338201	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+HCOOH-H"	44.998201
"350792"	703.353851	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+Hac-H"	59.013851
"1493143"	381.183851	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Hac-H"	59.013851
"959509"	389.150151	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-H+NaCOOH"	66.980151
"112056"	357.139402	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+2Cl"	69.938804
"551131"	518.224402	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+2Cl"	69.938804
"1023699"	196.054402	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2Cl"	69.938804
"1242184"	401.088885	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Br"	78.918885
"1308644"	403.144872	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Cl+HCOOH"	80.974872
"1322494"	425.126829	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Cl+NaCOOH"	102.956829
"912458"	435.155586	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M-H+CF3COOH"	112.985586
"1289530"	471.132264	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Cl+CF3COOH"	148.962264
"1368416"	287.157324	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H-2H2O"	-35.012676
"1383725"	305.1673	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H-H2O"	-17.0027
"294724"	645.347276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+H"	1.007276
"681681"	967.517276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+H"	1.007276
"1353655"	323.177276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H"	1.007276
"137481"	323.177276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+2H"	2.014552
"574854"	484.262276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+2H"	2.014552
"1044746"	162.092276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2H"	2.014552
"215567"	215.787276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+3H"	3.021828
"657317"	323.177276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+3H"	3.021828
"1172527"	108.397276	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+3H"	3.021828
"435796"	662.373823	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+NH4"	18.033823
"793513"	984.543823	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+NH4"	18.033823
"1689846"	340.203823	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+NH4"	18.033823
"340313"	331.6905495	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+H+NH4"	19.041099
"731640"	492.7755495	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+H+NH4"	19.041099
"1479995"	170.6055495	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H+NH4"	19.041099
"396489"	667.329218	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+Na"	22.989218
"756389"	989.499218	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+Na"	22.989218
"1609953"	345.159218	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Na"	22.989218
"322178"	334.168247	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+H+Na"	23.996494
"714596"	495.253247	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+H+Na"	23.996494
"1468416"	173.083247	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H+Na"	23.996494
"1059473"	115.72459	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2H+Na"	25.00377
"1267713"	355.203486	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+CH3OH+H"	33.033486
"379362"	683.303158	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+K"	38.963158
"739992"	1005.473158	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+K"	38.963158
"1540102"	361.133158	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+K"	38.963158
"299224"	342.155217	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+H+K"	39.970434
"693469"	503.240217	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+H+K"	39.970434
"1447411"	181.070217	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H+K"	39.970434
"236742"	686.373826	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+ACN+H"	42.033826
"1212976"	364.203826	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+ACN+H"	42.033826
"1196499"	182.605551	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+ACN+2H"	43.041102
"193019"	689.31116	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+2Na-H"	44.97116
"633673"	1011.48116	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+2Na-H"	44.97116
"1134262"	367.14116	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2Na-H"	44.97116
"178282"	345.159218	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+2Na"	45.978436
"624404"	506.244218	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+2Na"	45.978436
"1127912"	184.074218	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2Na"	45.978436
"1408155"	123.051904	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H+2Na"	46.985712
"1441361"	369.182746	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H+HCOOH"	47.012746
"227776"	350.19224	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+3H2O+2H"	56.04448
"1513650"	383.23479	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+IsoProp+H"	61.06479
"414431"	353.146188	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+Na+K"	61.952376
"778707"	514.231188	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+Na+K"	61.952376
"1671757"	192.061188	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Na+K"	61.952376
"261563"	708.355768	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+ACN+Na"	64.015768
"1238280"	386.185768	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+ACN+Na"	64.015768
"1722798"	386.209293	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+NH4+HCOOH"	64.039293
"1181225"	130.379218	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+3Na"	68.967654
"1656220"	391.164688	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Na+HCOOH"	68.994688
"166362"	721.25904	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+2K-H"	76.91904
"604827"	1043.42904	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+2K-H"	76.91904
"1087153"	399.08904	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2K-H"	76.91904
"143976"	361.133158	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"2M+2K"	77.926316
"584629"	522.218158	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"3M+2K"	77.926316
"1069628"	200.048158	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2K"	77.926316
"1101744"	401.103592	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2K+H"	78.933592
"1342023"	401.191207	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+DMSO+H"	79.021207
"1016021"	405.230376	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2ACN+H"	83.060376
"1535240"	406.224008	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+IsoProp+Na+H"	84.054008
"997314"	203.118826	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+2ACN+2H"	84.067652
"1600566"	407.138628	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+K+HCOOH"	84.968628
"1426226"	437.170138	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+H+CF3COOH"	115.000138
"1157606"	223.632101	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+3ACN+2H"	125.094202
"1707155"	454.196685	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+NH4+CF3COOH"	132.026685
"1644992"	459.15208	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+Na+CF3COOH"	136.98208
"1573351"	475.12602	"C15004"	"16beta-Chloro-17beta-hydroxyandrost-4-en-3-one;16beta-Chlorotestosterone"	"C19H27ClO2"	"322.17"	"M+K+CF3COOH"	152.95602
"802625"	287.1885	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M"	0
"976522"	268.17011	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-H2O-H"	-19.01839
"64769"	190.451724	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M-3H"	-3.021828
"505059"	286.181224	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M-3H"	-3.021828
"882131"	94.722224	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-3H"	-3.021828
"5445"	286.181224	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M-2H"	-2.014552
"445005"	429.775474	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M-2H"	-2.014552
"817704"	142.586974	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-2H"	-2.014552
"80247"	573.369724	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M-H"	-1.007276
"519562"	860.558224	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M-H"	-1.007276
"895648"	286.181224	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-H"	-1.007276
"47166"	590.396271	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M-2H+NH4"	16.019271
"487141"	877.584771	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M-2H+NH4"	16.019271
"866433"	303.207771	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-2H+NH4"	16.019271
"37617"	595.351666	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M-2H+Na"	20.974666
"480461"	882.540166	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M-2H+Na"	20.974666
"854980"	308.163166	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-2H+Na"	20.974666
"1621232"	308.163166	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Na-2H"	20.974666
"98495"	304.169563	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M-H+Cl"	33.962126
"536959"	447.763813	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M-H+Cl"	33.962126
"936309"	160.575313	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-H+Cl"	33.962126
"272683"	609.346402	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+Cl"	34.969402
"669479"	896.534902	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+Cl"	34.969402
"1279695"	322.157902	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Cl"	34.969402
"25533"	611.325606	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M-2H+K"	36.948606
"460720"	898.514106	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M-2H+K"	36.948606
"845085"	324.137106	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-2H+K"	36.948606
"1567479"	324.137106	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+K-2H"	36.948606
"957557"	332.186694	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-H+HCOOH"	44.998194
"374674"	619.375201	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+HCOOH-H"	44.998201
"351996"	633.390851	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+Hac-H"	59.013851
"1500828"	346.202351	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Hac-H"	59.013851
"962901"	354.168651	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-H+NaCOOH"	66.980151
"111803"	322.157902	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+2Cl"	69.938804
"551734"	465.752152	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+2Cl"	69.938804
"1022349"	178.563652	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2Cl"	69.938804
"1241453"	366.107385	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Br"	78.918885
"1306201"	368.163372	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Cl+HCOOH"	80.974872
"1322240"	390.145329	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Cl+NaCOOH"	102.956829
"917307"	400.174086	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M-H+CF3COOH"	112.985586
"1289277"	436.150764	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Cl+CF3COOH"	148.962264
"1367433"	252.175824	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H-2H2O"	-35.012676
"1383471"	270.1858	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H-H2O"	-17.0027
"290460"	575.384276	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+H"	1.007276
"682883"	862.572776	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+H"	1.007276
"1361421"	288.195776	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H"	1.007276
"137956"	288.195776	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+2H"	2.014552
"579704"	431.790026	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+2H"	2.014552
"1049231"	144.601526	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2H"	2.014552
"219085"	192.466276	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+3H"	3.021828
"659252"	288.195776	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+3H"	3.021828
"1173731"	96.736776	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+3H"	3.021828
"438096"	592.410823	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+NH4"	18.033823
"791436"	879.599323	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+NH4"	18.033823
"1691049"	305.222323	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+NH4"	18.033823
"337141"	296.7090495	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+H+NH4"	19.041099
"732843"	440.3032995	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+H+NH4"	19.041099
"1484479"	153.1147995	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H+NH4"	19.041099
"402066"	597.366218	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+Na"	22.989218
"761966"	884.554718	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+Na"	22.989218
"1610064"	310.177718	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Na"	22.989218
"323379"	299.186747	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+H+Na"	23.996494
"715800"	442.780997	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+H+Na"	23.996494
"1468526"	155.592497	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H+Na"	23.996494
"1059583"	104.06409	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2H+Na"	25.00377
"1268916"	320.221986	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+CH3OH+H"	33.033486
"379472"	613.340158	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+K"	38.963158
"740830"	900.528658	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+K"	38.963158
"1543980"	326.151658	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+K"	38.963158
"299699"	307.173717	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+H+K"	39.970434
"693579"	450.767967	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+H+K"	39.970434
"1447035"	163.579467	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H+K"	39.970434
"237097"	616.410826	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+ACN+H"	42.033826
"1210899"	329.222326	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+ACN+H"	42.033826
"1196973"	165.114801	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+ACN+2H"	43.041102
"193128"	619.34816	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+2Na-H"	44.97116
"632690"	906.53666	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+2Na-H"	44.97116
"1135100"	332.15966	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2Na-H"	44.97116
"177663"	310.177718	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+2Na"	45.978436
"625607"	453.771968	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+2Na"	45.978436
"1128020"	166.583468	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2Na"	45.978436
"1408263"	111.391404	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H+2Na"	46.985712
"1440378"	334.201246	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H+HCOOH"	47.012746
"222780"	315.21074	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+3H2O+2H"	56.04448
"1510840"	348.25329	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+IsoProp+H"	61.06479
"411258"	318.164688	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+Na+K"	61.952376
"771526"	461.758938	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+Na+K"	61.952376
"1671138"	174.570438	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Na+K"	61.952376
"262766"	638.392768	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+ACN+Na"	64.015768
"1235475"	351.204268	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+ACN+Na"	64.015768
"1724364"	351.227793	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+NH4+HCOOH"	64.039293
"1184251"	118.718718	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+3Na"	68.967654
"1656330"	356.183188	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Na+HCOOH"	68.994688
"167566"	651.29604	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+2K-H"	76.91904
"604937"	938.48454	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+2K-H"	76.91904
"1089815"	364.10754	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2K-H"	76.91904
"144086"	326.151658	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"2M+2K"	77.926316
"584739"	469.745908	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"3M+2K"	77.926316
"1069128"	182.557408	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2K"	77.926316
"1102097"	366.122092	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2K+H"	78.933592
"1347963"	366.209707	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+DMSO+H"	79.021207
"1015038"	370.248876	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2ACN+H"	83.060376
"1535350"	371.242508	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+IsoProp+Na+H"	84.054008
"998517"	185.628076	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+2ACN+2H"	84.067652
"1599219"	372.157128	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+K+HCOOH"	84.968628
"1426336"	402.188638	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+H+CF3COOH"	115.000138
"1157716"	206.141351	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+3ACN+2H"	125.094202
"1706172"	419.215185	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+NH4+CF3COOH"	132.026685
"1645102"	424.17058	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+Na+CF3COOH"	136.98208
"1573461"	440.14452	"C15005"	"4-Aminoestra-135(10)-triene-317beta-diol"	"C18H25NO2"	"287.1885"	"M+K+CF3COOH"	152.95602
"802373"	287.1885	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M"	0
"976997"	268.17011	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-H2O-H"	-19.01839
"65244"	190.451724	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M-3H"	-3.021828
"506991"	286.181224	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M-3H"	-3.021828
"883699"	94.722224	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-3H"	-3.021828
"6648"	286.181224	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M-2H"	-2.014552
"441107"	429.775474	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M-2H"	-2.014552
"819634"	142.586974	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-2H"	-2.014552
"80721"	573.369724	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M-H"	-1.007276
"521375"	860.558224	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M-H"	-1.007276
"896134"	286.181224	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-H"	-1.007276
"47207"	590.396271	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M-2H+NH4"	16.019271
"487519"	877.584771	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M-2H+NH4"	16.019271
"865814"	303.207771	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-2H+NH4"	16.019271
"34447"	595.351666	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M-2H+Na"	20.974666
"481664"	882.540166	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M-2H+Na"	20.974666
"856184"	308.163166	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-2H+Na"	20.974666
"1620613"	308.163166	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Na-2H"	20.974666
"98970"	304.169563	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M-H+Cl"	33.962126
"537068"	447.763813	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M-H+Cl"	33.962126
"936419"	160.575313	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-H+Cl"	33.962126
"269513"	609.346402	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+Cl"	34.969402
"669589"	896.534902	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+Cl"	34.969402
"1277618"	322.157902	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Cl"	34.969402
"28923"	611.325606	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M-2H+K"	36.948606
"460830"	898.514106	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M-2H+K"	36.948606
"847261"	324.137106	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-2H+K"	36.948606
"1568683"	324.137106	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+K-2H"	36.948606
"957910"	332.186694	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-H+HCOOH"	44.998194
"375515"	619.375201	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+HCOOH-H"	44.998201
"355386"	633.390851	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+Hac-H"	59.013851
"1499845"	346.202351	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Hac-H"	59.013851
"963012"	354.168651	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-H+NaCOOH"	66.980151
"111917"	322.157902	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+2Cl"	69.938804
"551480"	465.752152	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+2Cl"	69.938804
"1023192"	178.563652	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2Cl"	69.938804
"1242770"	366.107385	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Br"	78.918885
"1307042"	368.163372	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Cl+HCOOH"	80.974872
"1324173"	390.145329	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Cl+NaCOOH"	102.956829
"917417"	400.174086	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M-H+CF3COOH"	112.985586
"1289387"	436.150764	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Cl+CF3COOH"	148.962264
"1367907"	252.175824	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H-2H2O"	-35.012676
"1384676"	270.1858	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H-H2O"	-17.0027
"290570"	575.384276	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+H"	1.007276
"681900"	862.572776	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+H"	1.007276
"1361531"	288.195776	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H"	1.007276
"138795"	288.195776	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+2H"	2.014552
"577262"	431.790026	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+2H"	2.014552
"1049341"	144.601526	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2H"	2.014552
"217245"	192.466276	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+3H"	3.021828
"659771"	288.195776	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+3H"	3.021828
"1176395"	96.736776	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+3H"	3.021828
"436017"	592.410823	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+NH4"	18.033823
"797743"	879.599323	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+NH4"	18.033823
"1687877"	305.222323	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+NH4"	18.033823
"340531"	296.7090495	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+H+NH4"	19.041099
"731860"	440.3032995	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+H+NH4"	19.041099
"1481309"	153.1147995	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H+NH4"	19.041099
"399987"	597.366218	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+Na"	22.989218
"760983"	884.554718	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+Na"	22.989218
"1611267"	310.177718	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Na"	22.989218
"324583"	299.186747	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+H+Na"	23.996494
"720284"	442.780997	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+H+Na"	23.996494
"1469731"	155.592497	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H+Na"	23.996494
"1059693"	104.06409	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2H+Na"	25.00377
"1270122"	320.221986	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+CH3OH+H"	33.033486
"378854"	613.340158	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+K"	38.963158
"739846"	900.528658	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+K"	38.963158
"1542997"	326.151658	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+K"	38.963158
"300538"	307.173717	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+H+K"	39.970434
"693690"	450.767967	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+H+K"	39.970434
"1447146"	163.579467	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H+K"	39.970434
"242676"	616.410826	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+ACN+H"	42.033826
"1210398"	329.222326	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+ACN+H"	42.033826
"1196719"	165.114801	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+ACN+2H"	43.041102
"193238"	619.34816	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+2Na-H"	44.97116
"634986"	906.53666	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+2Na-H"	44.97116
"1136305"	332.15966	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2Na-H"	44.97116
"178502"	310.177718	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+2Na"	45.978436
"625717"	453.771968	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+2Na"	45.978436
"1130563"	166.583468	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2Na"	45.978436
"1408373"	111.391404	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H+2Na"	46.985712
"1440488"	334.201246	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H+HCOOH"	47.012746
"223621"	315.21074	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+3H2O+2H"	56.04448
"1512774"	348.25329	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+IsoProp+H"	61.06479
"413554"	318.164688	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+Na+K"	61.952376
"773458"	461.758938	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+Na+K"	61.952376
"1670884"	174.570438	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Na+K"	61.952376
"257405"	638.392768	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+ACN+Na"	64.015768
"1228291"	351.204268	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+ACN+Na"	64.015768
"1723382"	351.227793	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+NH4+HCOOH"	64.039293
"1184361"	118.718718	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+3Na"	68.967654
"1660815"	356.183188	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Na+HCOOH"	68.994688
"165489"	651.29604	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+2K-H"	76.91904
"607234"	938.48454	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+2K-H"	76.91904
"1089925"	364.10754	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2K-H"	76.91904
"145289"	326.151658	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"2M+2K"	77.926316
"583756"	469.745908	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"3M+2K"	77.926316
"1069726"	182.557408	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2K"	77.926316
"1100870"	366.122092	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2K+H"	78.933592
"1336400"	366.209707	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+DMSO+H"	79.021207
"1009673"	370.248876	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2ACN+H"	83.060376
"1529985"	371.242508	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+IsoProp+Na+H"	84.054008
"996436"	185.628076	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+2ACN+2H"	84.067652
"1597506"	372.157128	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+K+HCOOH"	84.968628
"1425350"	402.188638	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+H+CF3COOH"	115.000138
"1157826"	206.141351	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+3ACN+2H"	125.094202
"1709562"	419.215185	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+NH4+CF3COOH"	132.026685
"1645212"	424.17058	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+Na+CF3COOH"	136.98208
"1573571"	440.14452	"C15006"	"2-Aminoestra-135(10)-triene-317beta-diol;2-Aminoestradiol"	"C18H25NO2"	"287.1885"	"M+K+CF3COOH"	152.95602
"803577"	317.1627	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M"	0
"974922"	298.14431	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H2O-H"	-19.01839
"64625"	210.434524	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-3H"	-3.021828
"504914"	316.155424	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-3H"	-3.021828
"882716"	104.713624	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-3H"	-3.021828
"5665"	316.155424	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H"	-2.014552
"441945"	474.736774	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H"	-2.014552
"817595"	157.574074	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H"	-2.014552
"81196"	633.318124	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-H"	-1.007276
"522213"	950.480824	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-H"	-1.007276
"896610"	316.155424	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H"	-1.007276
"47377"	650.344671	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H+NH4"	16.019271
"487120"	967.507371	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H+NH4"	16.019271
"866045"	333.181971	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H+NH4"	16.019271
"33829"	655.300066	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H+Na"	20.974666
"480681"	972.462766	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H+Na"	20.974666
"855201"	338.137366	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H+Na"	20.974666
"1618670"	338.137366	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na-2H"	20.974666
"96892"	334.143763	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-H+Cl"	33.962126
"537542"	492.725113	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-H+Cl"	33.962126
"933249"	175.562413	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+Cl"	33.962126
"269987"	669.294802	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Cl"	34.969402
"668606"	986.457502	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+Cl"	34.969402
"1276635"	352.132102	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl"	34.969402
"26847"	671.274006	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M-2H+K"	36.948606
"458387"	988.436706	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M-2H+K"	36.948606
"842024"	354.111306	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-2H+K"	36.948606
"1567700"	354.111306	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K-2H"	36.948606
"955585"	362.160894	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+HCOOH"	44.998194
"374894"	679.323601	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+HCOOH-H"	44.998201
"357682"	693.339251	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Hac-H"	59.013851
"1496674"	376.176551	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Hac-H"	59.013851
"959473"	384.142851	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+NaCOOH"	66.980151
"110607"	352.132102	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2Cl"	69.938804
"550042"	510.713452	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2Cl"	69.938804
"1023303"	193.550752	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2Cl"	69.938804
"1242880"	396.081585	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Br"	78.918885
"1306788"	398.137572	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl+HCOOH"	80.974872
"1322461"	420.119529	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl+NaCOOH"	102.956829
"911453"	430.148286	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M-H+CF3COOH"	112.985586
"1288568"	466.124964	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Cl+CF3COOH"	148.962264
"1367651"	282.150024	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H-2H2O"	-35.012676
"1384424"	300.16	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H-H2O"	-17.0027
"286306"	635.332676	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H"	1.007276
"682010"	952.495376	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H"	1.007276
"1361641"	318.169976	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H"	1.007276
"139269"	318.169976	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2H"	2.014552
"577372"	476.751326	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2H"	2.014552
"1049451"	159.588626	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2H"	2.014552
"216991"	212.449076	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+3H"	3.021828
"658380"	318.169976	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+3H"	3.021828
"1176142"	106.728176	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+3H"	3.021828
"436127"	652.359223	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+NH4"	18.033823
"797853"	969.521923	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+NH4"	18.033823
"1691267"	335.196523	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+NH4"	18.033823
"340641"	326.6832495	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H+NH4"	19.041099
"734157"	485.2645995	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H+NH4"	19.041099
"1487979"	168.1018995	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+NH4"	19.041099
"403378"	657.314618	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Na"	22.989218
"763280"	974.477318	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+Na"	22.989218
"1613565"	340.151918	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na"	22.989218
"326880"	329.160947	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H+Na"	23.996494
"718207"	487.742297	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H+Na"	23.996494
"1469841"	170.579597	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+Na"	23.996494
"1063084"	114.05549	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2H+Na"	25.00377
"1270232"	350.196186	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+CH3OH+H"	33.033486
"382245"	673.288558	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+K"	38.963158
"742141"	990.451258	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+K"	38.963158
"1541284"	356.125858	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K"	38.963158
"299188"	337.147917	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+H+K"	39.970434
"691769"	495.729267	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+H+K"	39.970434
"1445603"	178.566567	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+K"	39.970434
"236952"	676.359226	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+ACN+H"	42.033826
"1210102"	359.196526	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+ACN+H"	42.033826
"1197922"	180.101901	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+ACN+2H"	43.041102
"192255"	679.29656	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2Na-H"	44.97116
"637284"	996.45926	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2Na-H"	44.97116
"1137509"	362.13386	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2Na-H"	44.97116
"180799"	340.151918	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2Na"	45.978436
"624734"	498.733268	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2Na"	45.978436
"1128240"	181.570568	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2Na"	45.978436
"1408483"	121.382804	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+2Na"	46.985712
"1441693"	364.175446	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+HCOOH"	47.012746
"225920"	345.18494	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+3H2O+2H"	56.04448
"1513249"	378.22749	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+IsoProp+H"	61.06479
"411479"	348.138888	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+Na+K"	61.952376
"774659"	506.720238	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+Na+K"	61.952376
"1668805"	189.557538	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na+K"	61.952376
"254232"	698.341168	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+ACN+Na"	64.015768
"1229128"	381.178468	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+ACN+Na"	64.015768
"1719107"	381.201993	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+NH4+HCOOH"	64.039293
"1181548"	128.710118	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+3Na"	68.967654
"1650713"	386.157388	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na+HCOOH"	68.994688
"161585"	711.24444	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2K-H"	76.91904
"600052"	1028.40714	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2K-H"	76.91904
"1088213"	394.08174	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2K-H"	76.91904
"142119"	356.125858	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"2M+2K"	77.926316
"583866"	514.707208	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"3M+2K"	77.926316
"1069472"	197.544508	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2K"	77.926316
"1100495"	396.096292	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2K+H"	78.933592
"1336268"	396.183907	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+DMSO+H"	79.021207
"1006744"	400.223076	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2ACN+H"	83.060376
"1531188"	401.216708	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+IsoProp+Na+H"	84.054008
"996543"	200.615176	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+2ACN+2H"	84.067652
"1601987"	402.131328	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K+HCOOH"	84.968628
"1425460"	432.162838	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+H+CF3COOH"	115.000138
"1159028"	221.128451	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+3ACN+2H"	125.094202
"1706392"	449.189385	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+NH4+CF3COOH"	132.026685
"1645322"	454.14478	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+Na+CF3COOH"	136.98208
"1573681"	470.11872	"C15007"	"2-Nitroestra-135(10)-triene-317beta-diol;2-Nitroestradiol"	"C18H23NO4"	"317.1627"	"M+K+CF3COOH"	152.95602
"810248"	302.2246	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M"	0
"982689"	283.20621	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"69838"	200.475790666667	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"509396"	301.217324	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"887201"	99.7342573333333	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"7961"	301.217324	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"445336"	452.329624	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"819129"	150.105024	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"82035"	603.441924	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"520864"	905.666524	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"896601"	301.217324	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"48054"	620.468471	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"487624"	922.693071	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"864818"	318.243871	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"32104"	625.423866	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"476414"	927.648466	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"852029"	323.199266	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1624843"	323.199266	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"105752"	319.205663	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"546405"	470.317963	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"937736"	168.093363	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"275200"	639.418602	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"669809"	941.643202	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1285494"	337.194002	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"29145"	641.397806	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"467612"	943.622406	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"843230"	339.173206	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1569634"	339.173206	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"957606"	347.222794	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"376976"	649.447401	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"359255"	663.463051	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1506991"	361.238451	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"967606"	369.204751	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"114325"	337.194002	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"556072"	488.306302	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1030340"	186.081702	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1251011"	381.143485	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1316739"	383.199472	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1332047"	405.181429	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"919825"	415.210186	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1289607"	451.186864	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1368133"	267.211924	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1385627"	285.2219	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"288604"	605.456476	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"687588"	907.681076	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1360656"	303.231876	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"139743"	303.231876	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"581008"	454.344176	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1048468"	152.119576	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"216741"	202.490342666667	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"658977"	303.231876	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1175884"	101.748809333333	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"436240"	622.483023	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"797236"	924.707623	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1692473"	320.258423	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"342938"	311.7451495	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"736456"	462.8574495	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1490276"	160.6328495	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"404947"	627.438418	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"767644"	929.663018	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1615862"	325.213818	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"327968"	314.222847	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"721116"	465.335147	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1474329"	163.110547	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1067694"	109.076123333333	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1272045"	335.258086	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"382358"	643.412358	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"742620"	945.636958	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1543219"	341.187758	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"299058"	322.209817	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"692205"	473.322117	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1446639"	171.097517	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"240709"	646.483026	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1213420"	344.258426	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1197669"	172.632851	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"191631"	649.42036	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"632651"	951.64496	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1135428"	347.19576	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"178722"	325.213818	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"621564"	476.326118	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1125069"	174.101518	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1404219"	116.403437333333	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1441803"	349.237346	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"223843"	330.24684	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1512634"	363.28939	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"409402"	333.200788	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"771489"	484.313088	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1670375"	182.088488	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"257989"	668.464968	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1233615"	366.240368	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1714117"	366.263893	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1179348"	123.730751333333	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1650823"	371.219288	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"164610"	681.36824	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"599434"	983.59284	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1090877"	379.14364	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"145509"	341.187758	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"586164"	492.300058	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1075051"	190.075458	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1103887"	381.158192	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1339177"	381.245807	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1006734"	385.284976	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1531297"	386.278608	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"996653"	193.146126	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1602219"	387.193228	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1427759"	417.224738	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1161325"	213.659401	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1709782"	434.251285	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1645432"	439.20668	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1573791"	455.18062	"C15008"	"12344a91010a-Octahydro-6-hydroxy-7-isopropyl-14a-dimethyl-1-phenanthrenemethanol"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"801731"	358.2144	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M"	0
"975506"	339.19601	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-H2O-H"	-19.01839
"64845"	237.802324	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M-3H"	-3.021828
"506227"	357.207124	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M-3H"	-3.021828
"886217"	118.397524	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-3H"	-3.021828
"5886"	357.207124	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M-2H"	-2.014552
"444352"	536.314324	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M-2H"	-2.014552
"820330"	178.099924	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-2H"	-2.014552
"80078"	715.421524	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M-H"	-1.007276
"524985"	1073.635924	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M-H"	-1.007276
"896588"	357.207124	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-H"	-1.007276
"47921"	732.448071	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M-2H+NH4"	16.019271
"487482"	1090.662471	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M-2H+NH4"	16.019271
"865291"	374.233671	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-2H+NH4"	16.019271
"31564"	737.403466	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M-2H+Na"	20.974666
"476524"	1095.617866	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M-2H+Na"	20.974666
"852139"	379.189066	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-2H+Na"	20.974666
"1623860"	379.189066	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Na-2H"	20.974666
"102581"	375.195463	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M-H+Cl"	33.962126
"546515"	554.302663	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M-H+Cl"	33.962126
"938939"	196.088263	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-H+Cl"	33.962126
"275310"	751.398202	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+Cl"	34.969402
"666639"	1109.612602	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+Cl"	34.969402
"1286696"	393.183802	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Cl"	34.969402
"28891"	753.377406	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M-2H+K"	36.948606
"468818"	1111.591806	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M-2H+K"	36.948606
"845527"	395.163006	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-2H+K"	36.948606
"1570110"	395.163006	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+K-2H"	36.948606
"956781"	403.212594	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-H+HCOOH"	44.998194
"374754"	761.427001	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+HCOOH-H"	44.998201
"359727"	775.442651	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+Hac-H"	59.013851
"1505642"	417.228251	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Hac-H"	59.013851
"967716"	425.194551	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-H+NaCOOH"	66.980151
"116622"	393.183802	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+2Cl"	69.938804
"553996"	572.291002	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+2Cl"	69.938804
"1028263"	214.076602	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2Cl"	69.938804
"1251121"	437.133285	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Br"	78.918885
"1314662"	439.189272	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Cl+HCOOH"	80.974872
"1328877"	461.171229	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Cl+NaCOOH"	102.956829
"917748"	471.199986	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M-H+CF3COOH"	112.985586
"1288990"	507.176664	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Cl+CF3COOH"	148.962264
"1370429"	323.201724	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H-2H2O"	-35.012676
"1385737"	341.2117	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H-H2O"	-17.0027
"289806"	717.436076	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+H"	1.007276
"685508"	1075.650476	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+H"	1.007276
"1365138"	359.221676	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H"	1.007276
"139121"	359.221676	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+2H"	2.014552
"577592"	538.328876	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+2H"	2.014552
"1047484"	180.114476	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2H"	2.014552
"219398"	239.816876	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+3H"	3.021828
"659202"	359.221676	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+3H"	3.021828
"1176605"	120.412076	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+3H"	3.021828
"437809"	734.462623	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+NH4"	18.033823
"799533"	1092.677023	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+NH4"	18.033823
"1695499"	376.248223	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+NH4"	18.033823
"343047"	367.7349495	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+H+NH4"	19.041099
"736930"	546.8421495	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+H+NH4"	19.041099
"1491115"	188.6277495	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H+NH4"	19.041099
"405785"	739.418018	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+Na"	22.989218
"767874"	1097.632418	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+Na"	22.989218
"1616945"	381.203618	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Na"	22.989218
"326008"	370.212647	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+H+Na"	23.996494
"721470"	549.319847	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+H+Na"	23.996494
"1471160"	191.105447	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H+Na"	23.996494
"1067806"	127.73939	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2H+Na"	25.00377
"1272156"	391.247886	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+CH3OH+H"	33.033486
"381375"	755.391958	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+K"	38.963158
"742368"	1113.606358	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+K"	38.963158
"1543693"	397.177558	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+K"	38.963158
"299775"	378.199617	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+H+K"	39.970434
"691828"	557.306817	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+H+K"	39.970434
"1446749"	199.092417	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H+K"	39.970434
"238267"	758.462626	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+ACN+H"	42.033826
"1214623"	400.248226	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+ACN+H"	42.033826
"1197779"	200.627751	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+ACN+2H"	43.041102
"193201"	761.39996	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+2Na-H"	44.97116
"632398"	1119.61436	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+2Na-H"	44.97116
"1134813"	403.18556	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2Na-H"	44.97116
"182112"	381.203618	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+2Na"	45.978436
"624590"	560.310818	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+2Na"	45.978436
"1129069"	202.096418	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2Na"	45.978436
"1410889"	135.066704	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H+2Na"	46.985712
"1442643"	405.227146	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H+HCOOH"	47.012746
"226140"	386.23664	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+3H2O+2H"	56.04448
"1512380"	419.27919	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+IsoProp+H"	61.06479
"409878"	389.190588	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+Na+K"	61.952376
"773424"	568.297788	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+Na+K"	61.952376
"1669391"	210.083388	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Na+K"	61.952376
"262110"	780.444568	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+ACN+Na"	64.015768
"1233725"	422.230168	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+ACN+Na"	64.015768
"1716414"	422.253693	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+NH4+HCOOH"	64.039293
"1183956"	142.394018	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+3Na"	68.967654
"1652026"	427.209088	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Na+HCOOH"	68.994688
"166907"	793.34784	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+2K-H"	76.91904
"598816"	1151.56224	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+2K-H"	76.91904
"1089894"	435.13344	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2K-H"	76.91904
"146712"	397.177558	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"2M+2K"	77.926316
"586274"	576.284758	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"3M+2K"	77.926316
"1076255"	218.070358	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2K"	77.926316
"1103997"	437.147992	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2K+H"	78.933592
"1346943"	437.235607	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+DMSO+H"	79.021207
"1011098"	441.274776	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2ACN+H"	83.060376
"1531409"	442.268408	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+IsoProp+Na+H"	84.054008
"1000044"	221.141026	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+2ACN+2H"	84.067652
"1591268"	443.183028	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+K+HCOOH"	84.968628
"1429449"	473.214538	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+H+CF3COOH"	115.000138
"1160341"	241.654301	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+3ACN+2H"	125.094202
"1710984"	490.241085	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+NH4+CF3COOH"	132.026685
"1645542"	495.19648	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+Na+CF3COOH"	136.98208
"1573901"	511.17042	"C15009"	"17beta-Hydroxyandrost-4-ene-311-dione propionate"	"C22H30O4"	"358.2144"	"M+K+CF3COOH"	152.95602
"807187"	320.1543	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M"	0
"977440"	301.13591	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-H2O-H"	-19.01839
"70058"	212.428924	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M-3H"	-3.021828
"512898"	319.147024	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M-3H"	-3.021828
"888514"	105.710824	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-3H"	-3.021828
"9277"	319.147024	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M-2H"	-2.014552
"449930"	479.224174	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M-2H"	-2.014552
"822263"	159.069874	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-2H"	-2.014552
"82255"	639.301324	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M-H"	-1.007276
"525095"	959.455624	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M-H"	-1.007276
"896573"	319.147024	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-H"	-1.007276
"49980"	656.327871	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M-2H+NH4"	16.019271
"487958"	976.482171	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M-2H+NH4"	16.019271
"865889"	336.173571	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-2H+NH4"	16.019271
"31688"	661.283266	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M-2H+Na"	20.974666
"475541"	981.437566	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M-2H+Na"	20.974666
"854436"	341.128966	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-2H+Na"	20.974666
"1623970"	341.128966	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Na-2H"	20.974666
"103783"	337.135363	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M-H+Cl"	33.962126
"542249"	497.212513	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M-H+Cl"	33.962126
"936860"	177.058213	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-H+Cl"	33.962126
"280887"	675.278002	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+Cl"	34.969402
"674402"	995.432302	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+Cl"	34.969402
"1286806"	355.123702	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Cl"	34.969402
"30456"	677.257206	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M-2H+K"	36.948606
"471317"	997.411506	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M-2H+K"	36.948606
"846366"	357.102906	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-2H+K"	36.948606
"1570466"	357.102906	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+K-2H"	36.948606
"957744"	365.152494	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-H+HCOOH"	44.998194
"376487"	685.306801	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+HCOOH-H"	44.998201
"361367"	699.322451	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+Hac-H"	59.013851
"1507822"	379.168151	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Hac-H"	59.013851
"970013"	387.134451	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-H+NaCOOH"	66.980151
"118918"	355.123702	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+2Cl"	69.938804
"557386"	515.200852	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+2Cl"	69.938804
"1030560"	195.046552	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2Cl"	69.938804
"1254512"	399.073185	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Br"	78.918885
"1315866"	401.129172	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Cl+HCOOH"	80.974872
"1328987"	423.111129	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Cl+NaCOOH"	102.956829
"917858"	433.139886	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M-H+CF3COOH"	112.985586
"1289100"	469.116564	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Cl+CF3COOH"	148.962264
"1368712"	285.141624	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H-2H2O"	-35.012676
"1384509"	303.1516	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H-H2O"	-17.0027
"292103"	641.315876	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+H"	1.007276
"685618"	961.470176	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+H"	1.007276
"1364884"	321.161576	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H"	1.007276
"140324"	321.161576	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+2H"	2.014552
"580256"	481.238726	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+2H"	2.014552
"1048688"	161.084426	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2H"	2.014552
"219752"	214.443476	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+3H"	3.021828
"657245"	321.161576	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+3H"	3.021828
"1177324"	107.725376	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+3H"	3.021828
"438045"	658.342423	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+NH4"	18.033823
"800254"	978.496723	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+NH4"	18.033823
"1693787"	338.188123	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+NH4"	18.033823
"341700"	329.6748495	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+H+NH4"	19.041099
"738484"	489.7519995	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+H+NH4"	19.041099
"1492320"	169.5976995	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H+NH4"	19.041099
"407722"	663.297818	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+Na"	22.989218
"768349"	983.452118	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+Na"	22.989218
"1618274"	343.143518	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Na"	22.989218
"327576"	332.152547	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+H+Na"	23.996494
"720730"	492.229697	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+H+Na"	23.996494
"1472365"	172.075397	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H+Na"	23.996494
"1067431"	115.05269	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2H+Na"	25.00377
"1271659"	353.187786	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+CH3OH+H"	33.033486
"384764"	679.271758	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+K"	38.963158
"743574"	999.426058	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+K"	38.963158
"1546716"	359.117458	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+K"	38.963158
"300248"	340.139517	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+H+K"	39.970434
"692426"	500.216667	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+H+K"	39.970434
"1445636"	180.062367	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H+K"	39.970434
"238743"	682.342426	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+ACN+H"	42.033826
"1218013"	362.188126	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+ACN+H"	42.033826
"1198618"	181.597701	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+ACN+2H"	43.041102
"193676"	685.27976	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+2Na-H"	44.97116
"632510"	1005.43406	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+2Na-H"	44.97116
"1137839"	365.12546	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2Na-H"	44.97116
"184409"	343.143518	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+2Na"	45.978436
"623971"	503.220668	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+2Na"	45.978436
"1130396"	183.066368	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2Na"	45.978436
"1410999"	122.380004	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H+2Na"	46.985712
"1443116"	367.167046	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H+HCOOH"	47.012746
"222970"	348.17654	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+3H2O+2H"	56.04448
"1512126"	381.21909	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+IsoProp+H"	61.06479
"412904"	351.130488	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+Na+K"	61.952376
"772806"	511.207638	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+Na+K"	61.952376
"1671324"	191.053338	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Na+K"	61.952376
"262220"	704.324368	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+ACN+Na"	64.015768
"1233835"	384.170068	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+ACN+Na"	64.015768
"1719440"	384.193593	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+NH4+HCOOH"	64.039293
"1184794"	129.707318	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+3Na"	68.967654
"1652864"	389.148988	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Na+HCOOH"	68.994688
"163737"	717.22764	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+2K-H"	76.91904
"599654"	1037.38194	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+2K-H"	76.91904
"1088907"	397.07334	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2K-H"	76.91904
"146823"	359.117458	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"2M+2K"	77.926316
"585289"	519.194608	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"3M+2K"	77.926316
"1076365"	199.040308	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2K"	77.926316
"1111760"	399.087892	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2K+H"	78.933592
"1349119"	399.175507	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+DMSO+H"	79.021207
"1014488"	403.214676	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2ACN+H"	83.060376
"1533706"	404.208308	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+IsoProp+Na+H"	84.054008
"1000154"	202.110976	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+2ACN+2H"	84.067652
"1593565"	405.122928	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+K+HCOOH"	84.968628
"1429318"	435.154438	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+H+CF3COOH"	115.000138
"1160451"	222.624251	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+3ACN+2H"	125.094202
"1711094"	452.180985	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+NH4+CF3COOH"	132.026685
"1645652"	457.13638	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+Na+CF3COOH"	136.98208
"1573647"	473.11032	"C15010"	"16beta-Chloroandrost-4-ene-317-dione"	"C19H25ClO2"	"320.1543"	"M+K+CF3COOH"	152.95602
"809487"	332.2351	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M"	0
"977552"	313.21671	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"74544"	220.482790666667	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"507543"	331.227824	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"885345"	109.737757333333	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"2579"	331.227824	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"442384"	497.345374	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"817224"	165.110274	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"78792"	663.462924	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"518541"	995.698024	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"896567"	331.227824	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"47159"	680.489471	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"490020"	1012.724571	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"866001"	348.254371	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"33903"	685.444866	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"482216"	1017.679966	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"861111"	353.209766	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1629551"	353.209766	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"96967"	349.216163	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"543455"	515.333713	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"933691"	183.098613	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"282422"	699.439602	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"675571"	1031.674702	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1287410"	367.204502	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"30776"	701.418806	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"471367"	1033.653906	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"846840"	369.183706	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1571071"	369.183706	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"958416"	377.233294	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"377037"	709.468401	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"355938"	723.484051	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1499667"	391.248951	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"966842"	399.215251	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"121215"	367.204502	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"558589"	533.322052	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1031763"	201.086952	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1248061"	411.153985	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1306499"	413.209972	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1332379"	435.191929	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"913230"	445.220686	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1295769"	481.197364	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1371743"	297.222424	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1391434"	315.2324	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"294402"	665.477476	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"691080"	997.712576	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1364268"	333.242376	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"132785"	333.242376	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"579639"	499.359926	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1051718"	167.124826	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"218892"	222.497342666667	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"658092"	333.242376	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1178047"	111.752309333333	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"438884"	682.504023	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"800727"	1014.739123	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1695719"	350.268923	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"344363"	341.7556495	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"737516"	507.8731995	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1490973"	175.6380995	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"406006"	687.459418	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"769193"	1019.694518	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1616196"	355.224318	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"328421"	344.233347	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"716469"	510.350897	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1472473"	178.115797	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1067174"	119.079623333333	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1270675"	365.268586	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"387061"	703.433358	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"742589"	1035.668458	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1542457"	371.198258	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"301456"	352.220317	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"697525"	518.337867	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1449159"	186.102767	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"241406"	706.504026	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1212657"	374.268926	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1199092"	187.638101	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"193786"	709.44136	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"633712"	1041.67646	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1144511"	377.20626	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"186708"	355.224318	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"627364"	521.341868	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1128684"	189.106768	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1411114"	126.406937333333	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1444323"	379.247846	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"235436"	360.25734	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1523945"	393.29989	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"424080"	363.211288	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"782763"	529.328838	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1678001"	197.093738	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"261239"	728.485968	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1231393"	396.250868	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1715905"	396.274393	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1180531"	133.734251333333	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1658083"	401.229788	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"160936"	741.38924	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"599283"	1073.62434	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1093399"	409.15414	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"156544"	371.198258	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"595611"	537.315808	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1080851"	205.080708	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1115163"	411.168692	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1350817"	411.256307	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1020678"	415.295476	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1536006"	416.289108	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"1002453"	208.151376	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1600237"	417.203728	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1429429"	447.235238	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1160561"	228.664651	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1711206"	464.261785	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1645761"	469.21718	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1577037"	485.19112	"C15011"	"11beta17beta-Dihydroxy-6alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"807410"	316.2402	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M"	0
"977662"	297.22181	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"70279"	209.819524	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"505464"	315.232924	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"882171"	104.406124	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"990"	315.232924	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"441402"	473.353024	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"817126"	157.112824	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"78683"	631.473124	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"518871"	947.713324	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"896111"	315.232924	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"47158"	648.499671	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"487202"	964.739871	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"864562"	332.259471	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"34013"	653.455066	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"473575"	969.695266	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"848704"	337.214866	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1623463"	337.214866	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"102908"	333.221263	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"537365"	491.341363	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"931611"	175.101163	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"271263"	667.449802	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"668061"	983.690002	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1282651"	351.209602	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"30314"	669.429006	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"471225"	985.669206	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"846222"	353.188806	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1571276"	353.188806	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"958492"	361.238394	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"376955"	677.478601	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"356048"	691.494251	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1500507"	375.254051	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"968045"	383.220351	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"123150"	351.209602	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"558700"	509.329702	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1034790"	193.089502	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1249265"	395.159085	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1306246"	397.215072	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1330303"	419.197029	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"913340"	429.225786	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1295879"	465.202464	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1371853"	281.227524	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1391544"	299.2375	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"294512"	633.487676	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"690945"	949.727876	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1365837"	317.247476	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"131802"	317.247476	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"579021"	475.367576	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1051467"	159.127376	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"219246"	211.834076	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"657837"	317.247476	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1177423"	106.420676	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"436681"	650.514223	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"798774"	966.754423	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1694006"	334.274023	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"341192"	325.7607495	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"735075"	483.8808495	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1489261"	167.6406495	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"404657"	655.469618	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"767477"	971.709818	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1615576"	339.229418	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"327802"	328.238447	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"718399"	486.358547	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1469305"	170.118347	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1061450"	113.74799	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1265316"	349.273686	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"381704"	671.443558	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"741239"	987.683758	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1540498"	355.203358	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"301566"	336.225417	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"699822"	494.345517	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1448540"	178.105317	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"236168"	674.514226	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1213859"	358.274026	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1194616"	179.640651	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"193896"	677.45156	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"633456"	993.69176	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1144621"	361.21136	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"185725"	339.229418	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"625287"	497.349518	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1125512"	181.109318	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1411223"	121.075304	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1440057"	363.252946	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"229752"	344.26244	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1516720"	377.30499	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"416407"	347.216388	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"782873"	505.336488	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1677018"	189.096288	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"255883"	696.496168	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1227859"	380.255968	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1713948"	380.279493	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1179184"	128.402618	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1656006"	385.234888	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"161775"	709.39944	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"601337"	1025.63964	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1092416"	393.15924	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"157063"	355.203358	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"596085"	513.323458	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1080961"	197.083258	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1115397"	395.173792	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1351213"	395.261407	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1019937"	399.300576	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1538548"	400.294208	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"1002563"	200.153926	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1600347"	401.208828	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1429815"	431.240338	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1158485"	220.667201	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1711316"	448.266885	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1644778"	453.22228	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1577147"	469.19622	"C15012"	"17beta-Hydroxy-217-dimethyl-5alpha-androst-1-en-3-one"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"807520"	385.2981	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M"	0
"977772"	366.27971	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-H2O-H"	-19.01839
"67109"	255.858124	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M-3H"	-3.021828
"505574"	384.290824	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M-3H"	-3.021828
"882281"	127.425424	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-3H"	-3.021828
"2314"	384.290824	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M-2H"	-2.014552
"442968"	576.939874	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M-2H"	-2.014552
"817169"	191.641774	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-2H"	-2.014552
"78889"	769.588924	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M-H"	-1.007276
"520321"	1154.887024	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M-H"	-1.007276
"895849"	384.290824	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-H"	-1.007276
"47624"	786.615471	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M-2H+NH4"	16.019271
"487392"	1171.913571	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M-2H+NH4"	16.019271
"864465"	401.317371	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-2H+NH4"	16.019271
"36308"	791.570866	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M-2H+Na"	20.974666
"474048"	1176.868966	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M-2H+Na"	20.974666
"850392"	406.272766	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-2H+Na"	20.974666
"1620657"	406.272766	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Na-2H"	20.974666
"97915"	402.279163	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M-H+Cl"	33.962126
"537839"	594.928213	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M-H+Cl"	33.962126
"931721"	209.630113	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-H+Cl"	33.962126
"271373"	805.565602	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+Cl"	34.969402
"667077"	1190.863702	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+Cl"	34.969402
"1276200"	420.267502	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Cl"	34.969402
"28601"	807.544806	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M-2H+K"	36.948606
"470842"	1192.842906	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M-2H+K"	36.948606
"845967"	422.246706	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-2H+K"	36.948606
"1570681"	422.246706	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+K-2H"	36.948606
"957589"	430.296294	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-H+HCOOH"	44.998194
"376411"	815.594401	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+HCOOH-H"	44.998201
"352878"	829.610051	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+Hac-H"	59.013851
"1498429"	444.311951	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Hac-H"	59.013851
"962687"	452.278251	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-H+NaCOOH"	66.980151
"119250"	420.267502	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+2Cl"	69.938804
"555529"	612.916552	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+2Cl"	69.938804
"1026516"	227.618452	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2Cl"	69.938804
"1243908"	464.216985	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Br"	78.918885
"1305625"	466.272972	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Cl+HCOOH"	80.974872
"1326039"	488.254929	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Cl+NaCOOH"	102.956829
"915272"	498.283686	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M-H+CF3COOH"	112.985586
"1293802"	534.260364	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Cl+CF3COOH"	148.962264
"1370869"	350.285424	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H-2H2O"	-35.012676
"1388374"	368.2954	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H-H2O"	-17.0027
"289154"	771.603476	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+H"	1.007276
"689232"	1156.901576	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+H"	1.007276
"1364488"	386.305376	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H"	1.007276
"128632"	386.305376	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+2H"	2.014552
"579495"	578.954426	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+2H"	2.014552
"1051574"	193.656326	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2H"	2.014552
"218381"	257.872676	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+3H"	3.021828
"657216"	386.305376	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+3H"	3.021828
"1177045"	129.439976	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+3H"	3.021828
"435698"	788.630023	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+NH4"	18.033823
"798517"	1173.928123	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+NH4"	18.033823
"1690835"	403.331923	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+NH4"	18.033823
"338021"	394.8186495	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+H+NH4"	19.041099
"734455"	587.4676995	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+H+NH4"	19.041099
"1489370"	202.1695995	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H+NH4"	19.041099
"399665"	793.585418	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+Na"	22.989218
"758474"	1178.883518	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+Na"	22.989218
"1610945"	408.287318	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Na"	22.989218
"323169"	397.296347	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+H+Na"	23.996494
"717777"	589.945397	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+H+Na"	23.996494
"1469411"	204.647297	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H+Na"	23.996494
"1057186"	136.76729	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2H+Na"	25.00377
"1262144"	418.331586	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+CH3OH+H"	33.033486
"379626"	809.559358	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+K"	38.963158
"738917"	1194.857458	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+K"	38.963158
"1541582"	424.261258	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+K"	38.963158
"299486"	405.283317	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+H+K"	39.970434
"692273"	597.932367	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+H+K"	39.970434
"1447553"	212.634267	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H+K"	39.970434
"235865"	812.630026	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+ACN+H"	42.033826
"1210806"	427.331926	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+ACN+H"	42.033826
"1194932"	214.169601	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+ACN+2H"	43.041102
"194005"	815.56736	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+2Na-H"	44.97116
"634659"	1200.86546	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+2Na-H"	44.97116
"1139264"	430.26926	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2Na-H"	44.97116
"182556"	408.287318	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+2Na"	45.978436
"618107"	600.936368	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+2Na"	45.978436
"1124528"	215.638268	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2Na"	45.978436
"1406958"	144.094604	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H+2Na"	46.985712
"1434700"	432.310846	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H+HCOOH"	47.012746
"229862"	413.32034	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+3H2O+2H"	56.04448
"1513550"	446.36289	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+IsoProp+H"	61.06479
"416517"	416.274288	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+Na+K"	61.952376
"777516"	608.923338	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+Na+K"	61.952376
"1669473"	223.625238	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Na+K"	61.952376
"255991"	834.611968	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+ACN+Na"	64.015768
"1226024"	449.313868	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+ACN+Na"	64.015768
"1713244"	449.337393	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+NH4+HCOOH"	64.039293
"1179294"	151.421918	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+3Na"	68.967654
"1652105"	454.292788	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Na+HCOOH"	68.994688
"157630"	847.51524	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+2K-H"	76.91904
"598164"	1232.81334	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+2K-H"	76.91904
"1091432"	462.21714	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2K-H"	76.91904
"157129"	424.261258	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"2M+2K"	77.926316
"589997"	616.910308	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"3M+2K"	77.926316
"1079977"	231.612208	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2K"	77.926316
"1115479"	464.231692	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2K+H"	78.933592
"1350669"	464.319307	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+DMSO+H"	79.021207
"1019804"	468.358476	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2ACN+H"	83.060376
"1536226"	469.352108	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+IsoProp+Na+H"	84.054008
"999393"	234.682876	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+2ACN+2H"	84.067652
"1597177"	470.266728	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+K+HCOOH"	84.968628
"1427941"	500.298238	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+H+CF3COOH"	115.000138
"1160781"	255.196151	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+3ACN+2H"	125.094202
"1710332"	517.324785	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+NH4+CF3COOH"	132.026685
"1644888"	522.28018	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+Na+CF3COOH"	136.98208
"1575070"	538.25412	"C15013"	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-1120-dione"	"C25H39NO2"	"385.2981"	"M+K+CF3COOH"	152.95602
"802040"	339.1834	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M"	0
"977882"	320.16501	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-H2O-H"	-19.01839
"66124"	225.114990666667	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M-3H"	-3.021828
"510060"	338.176124	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M-3H"	-3.021828
"887862"	112.053857333333	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-3H"	-3.021828
"4247"	338.176124	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M-2H"	-2.014552
"440323"	507.767824	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M-2H"	-2.014552
"822703"	168.584424	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-2H"	-2.014552
"81600"	677.359524	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M-H"	-1.007276
"524439"	1016.542924	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M-H"	-1.007276
"895791"	338.176124	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-H"	-1.007276
"48112"	694.386071	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M-2H+NH4"	16.019271
"488035"	1033.569471	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M-2H+NH4"	16.019271
"864861"	355.202671	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-2H+NH4"	16.019271
"32523"	699.341466	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M-2H+Na"	20.974666
"473791"	1038.524866	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M-2H+Na"	20.974666
"850379"	360.158066	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-2H+Na"	20.974666
"1619428"	360.158066	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Na-2H"	20.974666
"96199"	356.164463	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M-H+Cl"	33.962126
"535391"	525.756163	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M-H+Cl"	33.962126
"928058"	186.572763	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-H+Cl"	33.962126
"268204"	713.336202	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+Cl"	34.969402
"667187"	1052.519602	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+Cl"	34.969402
"1285792"	374.152802	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Cl"	34.969402
"28711"	715.315406	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M-2H+K"	36.948606
"470593"	1054.498806	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M-2H+K"	36.948606
"848232"	376.132006	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-2H+K"	36.948606
"1570790"	376.132006	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+K-2H"	36.948606
"958064"	384.181594	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-H+HCOOH"	44.998194
"376399"	723.365001	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+HCOOH-H"	44.998201
"355174"	737.380651	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+Hac-H"	59.013851
"1508017"	398.197251	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Hac-H"	59.013851
"963891"	406.163551	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-H+NaCOOH"	66.980151
"121547"	374.152802	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+2Cl"	69.938804
"555639"	543.744502	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+2Cl"	69.938804
"1028813"	204.561102	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2Cl"	69.938804
"1247298"	418.102285	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Br"	78.918885
"1305373"	420.158272	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Cl+HCOOH"	80.974872
"1334530"	442.140229	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Cl+NaCOOH"	102.956829
"915382"	452.168986	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M-H+CF3COOH"	112.985586
"1291359"	488.145664	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Cl+CF3COOH"	148.962264
"1368066"	304.170724	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H-2H2O"	-35.012676
"1385204"	322.1807	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H-H2O"	-17.0027
"294733"	679.374076	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+H"	1.007276
"687886"	1018.557476	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+H"	1.007276
"1365696"	340.190676	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H"	1.007276
"138585"	340.190676	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+2H"	2.014552
"577416"	509.782376	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+2H"	2.014552
"1052296"	170.598976	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2H"	2.014552
"218130"	227.129542666667	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+3H"	3.021828
"658784"	340.190676	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+3H"	3.021828
"1176547"	114.068409333333	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+3H"	3.021828
"437993"	696.400623	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+NH4"	18.033823
"800084"	1035.584023	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+NH4"	18.033823
"1689852"	357.217223	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+NH4"	18.033823
"334852"	348.7039495	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+H+NH4"	19.041099
"728368"	518.2956495	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+H+NH4"	19.041099
"1483282"	179.1122495	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H+NH4"	19.041099
"396495"	701.356018	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+Na"	22.989218
"755304"	1040.539418	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+Na"	22.989218
"1613241"	362.172618	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Na"	22.989218
"323278"	351.181647	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+H+Na"	23.996494
"717523"	520.773347	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+H+Na"	23.996494
"1466238"	181.589947	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H+Na"	23.996494
"1058390"	121.395723333333	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2H+Na"	25.00377
"1262253"	372.216886	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+CH3OH+H"	33.033486
"378759"	717.329958	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+K"	38.963158
"739514"	1056.513358	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+K"	38.963158
"1540353"	378.146558	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+K"	38.963158
"299720"	359.168617	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+H+K"	39.970434
"692625"	528.760317	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+H+K"	39.970434
"1446448"	189.576917	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H+K"	39.970434
"236055"	720.400626	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+ACN+H"	42.033826
"1210787"	381.217226	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+ACN+H"	42.033826
"1195159"	191.112251	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+ACN+2H"	43.041102
"190467"	723.33796	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+2Na-H"	44.97116
"629788"	1062.52136	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+2Na-H"	44.97116
"1141561"	384.15456	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2Na-H"	44.97116
"181574"	362.172618	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+2Na"	45.978436
"621134"	531.764318	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+2Na"	45.978436
"1123546"	192.580918	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2Na"	45.978436
"1407799"	128.723037333333	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H+2Na"	46.985712
"1438090"	386.196146	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H+HCOOH"	47.012746
"231065"	367.20564	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+3H2O+2H"	56.04448
"1513660"	400.24819	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+IsoProp+H"	61.06479
"417721"	370.159588	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+Na+K"	61.952376
"773616"	539.751288	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+Na+K"	61.952376
"1668486"	200.567888	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Na+K"	61.952376
"253548"	742.382568	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+ACN+Na"	64.015768
"1227714"	403.199168	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+ACN+Na"	64.015768
"1713803"	403.222693	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+NH4+HCOOH"	64.039293
"1179155"	136.050351333333	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+3Na"	68.967654
"1650140"	408.178088	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Na+HCOOH"	68.994688
"157973"	755.28584	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+2K-H"	76.91904
"597540"	1094.46924	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+2K-H"	76.91904
"1089351"	416.10244	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2K-H"	76.91904
"145077"	378.146558	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"2M+2K"	77.926316
"589012"	547.738258	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"3M+2K"	77.926316
"1074618"	208.554858	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2K"	77.926316
"1105640"	418.116992	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2K+H"	78.933592
"1350657"	418.204607	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+DMSO+H"	79.021207
"1019670"	422.243776	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2ACN+H"	83.060376
"1538403"	423.237408	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+IsoProp+Na+H"	84.054008
"996223"	211.625526	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+2ACN+2H"	84.067652
"1594007"	424.152028	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+K+HCOOH"	84.968628
"1427322"	454.183538	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+H+CF3COOH"	115.000138
"1162351"	232.138801	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+3ACN+2H"	125.094202
"1707162"	471.210085	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+NH4+CF3COOH"	132.026685
"1646092"	476.16548	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+Na+CF3COOH"	136.98208
"1575180"	492.13942	"C15014"	"3-(2-Propenyloxy)estra-135(10)-triene-1617-dione 16-oxime"	"C21H25NO3"	"339.1834"	"M+K+CF3COOH"	152.95602
"811017"	346.2144	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M"	0
"979085"	327.19601	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"68420"	229.802324	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"511263"	345.207124	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"889065"	114.397524	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"6543"	345.207124	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"441000"	518.314324	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"822813"	172.099924	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"83897"	691.421524	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"524549"	1037.635924	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"895905"	345.207124	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"48344"	708.448071	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"487541"	1054.662471	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"864731"	362.233671	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"32149"	713.403466	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"474265"	1059.617866	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"850976"	367.189066	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1620510"	367.189066	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"96066"	363.195463	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"535865"	536.302663	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"929746"	190.088263	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"268678"	727.398202	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"668390"	1073.612602	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1281891"	381.183802	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"27728"	729.377406	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"469969"	1075.591806	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"847647"	383.163006	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1570170"	383.163006	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"957561"	391.212594	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"376224"	737.427001	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"356376"	751.442651	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1505572"	405.228251	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"962908"	413.194551	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"117282"	381.183802	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"553563"	554.291002	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1023456"	208.076602	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1247405"	425.133285	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1306574"	427.189272	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1330629"	449.171229	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"915492"	459.199986	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1291105"	495.176664	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1368906"	311.201724	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1385313"	329.2117	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"289375"	693.436076	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"686171"	1039.650476	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1359243"	347.221676	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"137599"	347.221676	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"577890"	520.328876	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1051066"	174.114476	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"219574"	231.816876	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"659802"	347.221676	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1177019"	116.412076	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"437009"	710.462623	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"800194"	1056.677023	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1688869"	364.248223	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"334962"	355.7349495	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"731758"	528.8421495	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1483392"	182.6277495	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"396605"	715.418018	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"756142"	1061.632418	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1615538"	369.203618	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"324482"	358.212647	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"716904"	531.319847	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1468534"	185.105447	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1058500"	123.73939	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1261271"	379.247886	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"378021"	731.391958	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"739383"	1077.606358	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1540830"	385.177558	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"303717"	366.199617	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"692615"	539.306817	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1448502"	193.092417	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"237104"	734.462626	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1210658"	388.248226	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1196243"	194.627751	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"190942"	737.39996	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"630870"	1083.61436	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1140578"	391.18556	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"181683"	369.203618	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"623431"	542.310818	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1125842"	196.096418	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1410459"	131.066704	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1438200"	393.227146	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"232268"	374.23664	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1514863"	407.27919	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"420018"	377.190588	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"774455"	550.297788	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1669691"	204.083388	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"254387"	756.444568	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1228916"	410.230168	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1715614"	410.253693	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1178902"	138.394018	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1650861"	415.209088	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"157356"	769.34784	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"597651"	1115.56224	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1089461"	423.13344	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"145187"	385.177558	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"589122"	558.284758	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1075820"	212.070358	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1106843"	425.147992	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1350158"	425.235607	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1018809"	429.274776	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1535354"	430.268408	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"996333"	215.141026	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1594117"	431.183028	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1427068"	461.214538	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1161731"	235.654301	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1708365"	478.241085	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1647295"	483.19648	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1575290"	499.17042	"C15015"	"2beta21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"811127"	284.214	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M"	0
"979195"	265.19561	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"69624"	188.468724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"509187"	283.206724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"889175"	93.730724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"7747"	283.206724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"441841"	425.313724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"821829"	141.099724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"82913"	567.420724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"523566"	851.634724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"895812"	283.206724	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-H"	-1.007276
"47969"	584.447271	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"487894"	868.661271	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"865330"	300.233271	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"32017"	589.402666	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"473648"	873.616666	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"851087"	305.188666	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1619892"	305.188666	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"95808"	301.195063	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"536340"	443.302063	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"928885"	159.088063	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"269517"	603.397402	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"668500"	887.611402	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1282001"	319.183402	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"25651"	605.376606	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"470683"	889.590606	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"848003"	321.162606	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1569423"	321.162606	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"957995"	329.212194	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"376249"	613.426201	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"361231"	627.441851	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1506046"	343.227851	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"970671"	351.194151	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"116298"	319.183402	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"559138"	461.290402	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1027938"	177.076402	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1247516"	363.132885	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1308871"	365.188872	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1327459"	387.170829	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"914509"	397.199586	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1290121"	433.176264	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1368651"	249.201324	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1385423"	267.2113	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"288391"	569.435276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+H"	1.007276
"683000"	853.649276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1358255"	285.221276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H"	1.007276
"131148"	285.221276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"575812"	427.328276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1050812"	143.114276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2H"	2.014552
"213607"	190.483276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"659733"	285.221276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1176399"	95.745276	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+3H"	3.021828
"436754"	586.461823	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"797750"	870.675823	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1688979"	302.247823	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"335072"	293.7345495	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"727494"	435.8415495	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1483501"	151.6275495	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"395619"	591.417218	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"757710"	875.631218	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1614555"	307.203218	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Na"	22.989218
"323497"	296.212247	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"718108"	438.319247	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1467551"	154.105247	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1059703"	103.07259	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1259194"	317.247486	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"378006"	607.391158	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+K"	38.963158
"739129"	891.605158	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1541913"	323.177158	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+K"	38.963158
"306743"	304.199217	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"695884"	446.306217	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1449705"	162.092217	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"237577"	610.461826	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1211742"	326.247826	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1194894"	163.627551	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"191051"	613.39916	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"630615"	897.61316	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1135947"	329.18516	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"181793"	307.203218	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"622449"	449.310218	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1127045"	165.096218	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1409476"	110.399904	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1441590"	331.226746	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"229098"	312.23624	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1516066"	345.27879	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"421950"	315.190188	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"777844"	457.297188	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1675268"	173.083188	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"254498"	632.443768	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1227202"	348.229768	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1716088"	348.253293	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1178600"	117.727218	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1649991"	353.208688	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"157343"	645.34704	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"599589"	929.56104	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1088478"	361.13304	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"146390"	323.177158	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"588138"	465.284158	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1078118"	181.070158	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1109869"	363.147592	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1350267"	363.235207	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1019161"	367.274376	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1538016"	368.268008	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"996443"	184.140826	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1593134"	369.182628	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1428638"	399.214138	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1161478"	204.654101	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1709569"	416.240685	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1646312"	421.19608	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1575400"	437.17002	"C15016"	"19-Norpregna-417(20)-dien-3-one"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"811237"	302.2246	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M"	0
"978212"	283.20621	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"67548"	200.475790666667	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"507110"	301.217324	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"886005"	99.7342573333333	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"5672"	301.217324	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"443046"	452.329624	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"818294"	150.105024	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"85210"	603.441924	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"525865"	905.666524	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"896374"	301.217324	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"48322"	620.468471	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"487270"	922.693071	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"864322"	318.243871	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"31842"	625.423866	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"474121"	927.648466	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"850467"	323.199266	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1620001"	323.199266	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"94826"	319.205663	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"534998"	470.317963	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"927496"	168.093363	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"269627"	639.418602	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"669704"	941.643202	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1282111"	337.194002	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"25761"	641.397806	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"468972"	943.622406	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"847137"	339.173206	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1569533"	339.173206	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"957416"	347.222794	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"376359"	649.447401	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"360815"	663.463051	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1505792"	361.238451	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"971146"	369.204751	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"116408"	337.194002	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"557062"	488.306302	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1032422"	186.081702	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1246534"	381.143485	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1304972"	383.199472	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1323196"	405.181429	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"918629"	415.210186	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1289013"	451.186864	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1367114"	267.211924	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1385533"	285.2219	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"288501"	605.456476	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"683110"	907.681076	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1355085"	303.231876	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"129071"	303.231876	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"575193"	454.344176	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1047273"	152.119576	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"216998"	202.490342666667	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"652548"	303.231876	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1176022"	101.748809333333	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"433946"	622.483023	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"791660"	924.707623	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1689086"	320.258423	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"333356"	311.7451495	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"724686"	462.8574495	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1477898"	160.6328495	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"396457"	627.438418	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"761099"	929.663018	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1611383"	325.213818	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"323242"	314.222847	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"714937"	465.335147	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1468754"	163.110547	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1058719"	109.076123333333	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1259303"	335.258086	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"378973"	643.412358	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"738515"	945.636958	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1541293"	341.187758	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"303573"	322.209817	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"691699"	473.322117	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1448721"	171.097517	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"237444"	646.483026	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1212579"	344.258426	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1194321"	172.632851	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"190063"	649.42036	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"630361"	951.64496	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1133501"	347.19576	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"180807"	325.213818	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"622556"	476.326118	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1124967"	174.101518	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1406306"	116.403437333333	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1437326"	349.237346	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"231396"	330.24684	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1515082"	363.28939	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"419144"	333.200788	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"773212"	484.313088	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1673191"	182.088488	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"255339"	668.464968	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1227314"	366.240368	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1715470"	366.263893	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1178513"	123.730751333333	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1650383"	371.219288	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"157238"	681.36824	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"601157"	983.59284	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1090045"	379.14364	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"150876"	341.187758	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"593716"	492.300058	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1079322"	190.075458	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1111439"	381.158192	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1347825"	381.245807	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1018178"	385.284976	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1538491"	386.278608	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"997646"	193.146126	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1597618"	387.193228	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1428017"	417.224738	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1161953"	213.659401	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1709316"	434.251285	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1646422"	439.20668	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1574417"	455.18062	"C15017"	"17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"804786"	315.1471	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M"	0
"978322"	296.12871	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"74218"	209.090790666667	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"510502"	314.139824	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"889395"	104.041757333333	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"7968"	314.139824	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"448623"	471.713374	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"824237"	156.566274	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"85321"	629.286924	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"525975"	944.434024	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"898672"	314.139824	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"50133"	646.313471	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"487502"	961.460571	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"864696"	331.166371	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"32967"	651.268866	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"474960"	966.415966	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"851306"	336.121766	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1619746"	336.121766	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"95181"	332.128163	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"536201"	489.701713	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"927893"	174.554613	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"268277"	665.263602	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"668721"	980.410702	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1276752"	350.116502	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"24778"	667.242806	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"470540"	982.389906	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"848342"	352.095706	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1569643"	352.095706	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"957446"	360.145294	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"375740"	675.292401	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"361291"	689.308051	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1506631"	374.160951	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"967611"	382.127251	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"120891"	350.116502	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"557172"	507.690052	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1029252"	192.542952	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1244457"	394.065985	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1313465"	396.121972	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1322576"	418.103929	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"918739"	428.132686	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1288640"	464.109364	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1367820"	280.134424	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1385643"	298.1444	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"288611"	631.301476	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"684314"	946.448576	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1356288"	316.154376	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"130273"	316.154376	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"575303"	473.727926	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1044101"	158.580826	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"214920"	211.105342666667	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"650472"	316.154376	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1170785"	106.056309333333	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"427497"	648.328023	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"789584"	963.475123	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1685917"	333.180923	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"333467"	324.6676495	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"724795"	482.2411995	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1479710"	167.0940995	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"395838"	653.283418	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"762302"	968.430518	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1612586"	338.136318	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"323717"	327.145347	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"713953"	484.718897	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1467770"	169.571797	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1055913"	113.383623333333	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1257383"	348.180586	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"377744"	669.257358	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"738817"	984.404458	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1543226"	354.110258	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"302589"	335.132317	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"692212"	492.705867	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1446277"	177.558767	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"235715"	672.328026	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1210216"	357.180926	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1194270"	179.094101	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"188951"	675.26536	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"629742"	990.41246	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1132397"	360.11826	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"182011"	338.136318	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"623759"	495.709868	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1126171"	180.562768	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1407509"	120.710937333333	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1437437"	362.159846	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"231506"	343.16934	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1515192"	376.21189	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"417067"	346.123288	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"773687"	503.696838	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1673301"	188.549738	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"254354"	694.309968	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1228882"	379.162868	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1715579"	379.186393	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1178987"	128.038251333333	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1649956"	384.141788	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"157187"	707.21324	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"600903"	1022.36034	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1087239"	392.06614	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"150986"	354.110258	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"589453"	511.683808	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1078340"	196.536708	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1111549"	394.080692	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1350122"	394.168307	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1018652"	398.207476	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1539331"	399.201108	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"997756"	199.607376	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1598821"	400.115728	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1427761"	430.147238	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1160847"	220.120651	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1708696"	447.173785	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1646532"	452.12918	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1574527"	468.10312	"C15018"	"3-Hydroxy-2-nitroestra-135(10)-trien-17-one;2-Nitroestrone"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"804896"	330.1103	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M"	0
"978435"	311.09191	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H2O-H"	-19.01839
"65583"	219.066257333333	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-3H"	-3.021828
"509515"	329.103024	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-3H"	-3.021828
"885131"	109.029490666667	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-3H"	-3.021828
"3705"	329.103024	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H"	-2.014552
"446545"	494.158174	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H"	-2.014552
"822160"	164.047874	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H"	-2.014552
"78981"	659.213324	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-H"	-1.007276
"519269"	989.323624	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-H"	-1.007276
"897809"	329.103024	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H"	-1.007276
"48544"	676.239871	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H+NH4"	16.019271
"489316"	1006.350171	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H+NH4"	16.019271
"864809"	346.129571	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H+NH4"	16.019271
"35875"	681.195266	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H+Na"	20.974666
"475436"	1011.305566	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H+Na"	20.974666
"853244"	351.084966	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H+Na"	20.974666
"1623139"	351.084966	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na-2H"	20.974666
"97478"	347.091363	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-H+Cl"	33.962126
"536675"	512.146513	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-H+Cl"	33.962126
"934570"	182.036213	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+Cl"	33.962126
"269847"	695.190002	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Cl"	34.969402
"664458"	1025.300302	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+Cl"	34.969402
"1283426"	365.079702	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl"	34.969402
"28903"	697.169206	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M-2H+K"	36.948606
"468833"	1027.279506	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M-2H+K"	36.948606
"847000"	367.058906	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-2H+K"	36.948606
"1567931"	367.058906	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K-2H"	36.948606
"953626"	375.108494	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+HCOOH"	44.998194
"374391"	705.218801	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+HCOOH-H"	44.998201
"360836"	719.234451	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Hac-H"	59.013851
"1504554"	389.124151	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Hac-H"	59.013851
"969545"	397.090451	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+NaCOOH"	66.980151
"122461"	365.079702	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2Cl"	69.938804
"563115"	530.134852	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2Cl"	69.938804
"1035924"	200.024552	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2Cl"	69.938804
"1250034"	409.029185	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Br"	78.918885
"1309201"	411.085172	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl+HCOOH"	80.974872
"1321593"	433.067129	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl+NaCOOH"	102.956829
"913016"	443.095886	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M-H+CF3COOH"	112.985586
"1290096"	479.072564	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Cl+CF3COOH"	148.962264
"1370443"	295.097624	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H-2H2O"	-35.012676
"1385753"	313.1076	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H-H2O"	-17.0027
"288723"	661.227876	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H"	1.007276
"680050"	991.338176	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H"	1.007276
"1356398"	331.117576	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H"	1.007276
"127465"	331.117576	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2H"	2.014552
"570302"	496.172726	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2H"	2.014552
"1043118"	166.062426	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2H"	2.014552
"209928"	221.080809333333	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+3H"	3.021828
"648394"	331.117576	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+3H"	3.021828
"1171990"	111.044042666667	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+3H"	3.021828
"430888"	678.254423	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+NH4"	18.033823
"796259"	1008.364723	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+NH4"	18.033823
"1685298"	348.144123	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+NH4"	18.033823
"336495"	339.6308495	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H+NH4"	19.041099
"725026"	504.6859995	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H+NH4"	19.041099
"1480184"	174.5756995	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+NH4"	19.041099
"398135"	683.209818	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Na"	22.989218
"761318"	1013.320118	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+Na"	22.989218
"1609416"	353.099518	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na"	22.989218
"323826"	342.108547	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H+Na"	23.996494
"712966"	507.163697	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H+Na"	23.996494
"1461925"	177.053397	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+Na"	23.996494
"1052982"	118.371356666667	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2H+Na"	25.00377
"1257694"	363.143786	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+CH3OH+H"	33.033486
"377968"	699.183758	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+K"	38.963158
"739216"	1029.294058	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+K"	38.963158
"1544064"	369.073458	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K"	38.963158
"302699"	350.095517	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+H+K"	39.970434
"692932"	515.150667	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+H+K"	39.970434
"1448211"	185.040367	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+K"	39.970434
"236811"	702.254426	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+ACN+H"	42.033826
"1210165"	372.144126	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+ACN+H"	42.033826
"1194778"	186.575701	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+ACN+2H"	43.041102
"191013"	705.19176	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2Na-H"	44.97116
"630583"	1035.30206	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2Na-H"	44.97116
"1136644"	375.08146	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2Na-H"	44.97116
"182121"	353.099518	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2Na"	45.978436
"623868"	518.154668	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2Na"	45.978436
"1128468"	188.044368	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2Na"	45.978436
"1407616"	125.698670666667	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+2Na"	46.985712
"1441555"	377.123046	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+HCOOH"	47.012746
"229427"	358.13254	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+3H2O+2H"	56.04448
"1514209"	391.17509	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+IsoProp+H"	61.06479
"417177"	361.086488	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+Na+K"	61.952376
"777078"	526.141638	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+Na+K"	61.952376
"1669398"	196.031338	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na+K"	61.952376
"253368"	724.236368	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+ACN+Na"	64.015768
"1227534"	394.126068	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+ACN+Na"	64.015768
"1713867"	394.149593	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+NH4+HCOOH"	64.039293
"1178540"	133.025984666667	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+3Na"	68.967654
"1650075"	399.104988	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na+HCOOH"	68.994688
"157161"	737.13964	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2K-H"	76.91904
"604299"	1067.24994	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2K-H"	76.91904
"1087717"	407.02934	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2K-H"	76.91904
"154377"	369.073458	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"2M+2K"	77.926316
"593937"	534.128608	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"3M+2K"	77.926316
"1079544"	204.018308	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2K"	77.926316
"1114825"	409.043892	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2K+H"	78.933592
"1350601"	409.131507	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+DMSO+H"	79.021207
"1017669"	413.170676	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2ACN+H"	83.060376
"1533606"	414.164308	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+IsoProp+Na+H"	84.054008
"1000053"	207.088976	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+2ACN+2H"	84.067652
"1595650"	415.078928	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K+HCOOH"	84.968628
"1426777"	445.110438	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+H+CF3COOH"	115.000138
"1158160"	227.602251	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+3ACN+2H"	125.094202
"1710993"	462.136985	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+NH4+CF3COOH"	132.026685
"1640081"	467.09238	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+Na+CF3COOH"	136.98208
"1575731"	483.06632	"C15019"	"23-Dihydro-2-(4-hydroxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4-Hydroxy-567-trimethoxyflavanone"	"C18H18O6"	"330.1103"	"M+K+CF3COOH"	152.95602
"802819"	270.1984	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M"	0
"988021"	251.18001	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-H2O-H"	-19.01839
"64600"	179.124990666667	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M-3H"	-3.021828
"508533"	269.191124	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M-3H"	-3.021828
"885242"	89.0588573333333	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-3H"	-3.021828
"4910"	269.191124	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M-2H"	-2.014552
"447748"	404.290324	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M-2H"	-2.014552
"821176"	134.091924	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-2H"	-2.014552
"80439"	539.389524	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M-H"	-1.007276
"520726"	809.587924	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M-H"	-1.007276
"898532"	269.191124	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-H"	-1.007276
"48775"	556.416071	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M-2H+NH4"	16.019271
"492834"	826.614471	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M-2H+NH4"	16.019271
"865406"	286.217671	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-2H+NH4"	16.019271
"36715"	561.371466	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M-2H+Na"	20.974666
"478462"	831.569866	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M-2H+Na"	20.974666
"854446"	291.173066	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-2H+Na"	20.974666
"1621792"	291.173066	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Na-2H"	20.974666
"97590"	287.179463	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M-H+Cl"	33.962126
"537148"	422.278663	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M-H+Cl"	33.962126
"934680"	152.080263	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-H+Cl"	33.962126
"272145"	575.366202	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+Cl"	34.969402
"662745"	845.564602	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+Cl"	34.969402
"1285732"	305.167802	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Cl"	34.969402
"28290"	577.345406	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M-2H+K"	36.948606
"470037"	847.543806	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M-2H+K"	36.948606
"846984"	307.147006	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-2H+K"	36.948606
"1568770"	307.147006	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+K-2H"	36.948606
"954465"	315.196594	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-H+HCOOH"	44.998194
"376202"	585.395001	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+HCOOH-H"	44.998201
"360946"	599.410651	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+Hac-H"	59.013851
"1507825"	329.212251	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Hac-H"	59.013851
"970748"	337.178551	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-H+NaCOOH"	66.980151
"122206"	305.167802	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+2Cl"	69.938804
"564684"	440.267002	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+2Cl"	69.938804
"1036846"	170.068602	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2Cl"	69.938804
"1255248"	349.117285	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Br"	78.918885
"1308219"	351.173272	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Cl+HCOOH"	80.974872
"1323527"	373.155229	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Cl+NaCOOH"	102.956829
"912762"	383.183986	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M-H+CF3COOH"	112.985586
"1295671"	419.160664	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Cl+CF3COOH"	148.962264
"1372740"	235.185724	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H-2H2O"	-35.012676
"1388049"	253.1957	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H-H2O"	-17.0027
"292113"	541.404076	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+H"	1.007276
"679793"	811.602476	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+H"	1.007276
"1354322"	271.205676	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H"	1.007276
"129397"	271.205676	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+2H"	2.014552
"570056"	406.304876	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+2H"	2.014552
"1047604"	136.106476	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2H"	2.014552
"210035"	181.139542666667	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+3H"	3.021828
"648864"	271.205676	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+3H"	3.021828
"1168448"	91.0734093333333	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+3H"	3.021828
"428809"	558.430623	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+NH4"	18.033823
"790898"	828.629023	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+NH4"	18.033823
"1686132"	288.232223	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+NH4"	18.033823
"337699"	279.7189495	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+H+NH4"	19.041099
"725016"	414.8181495	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+H+NH4"	19.041099
"1478836"	144.6197495	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H+NH4"	19.041099
"400431"	563.386018	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+Na"	22.989218
"762521"	833.584418	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+Na"	22.989218
"1610620"	293.187618	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Na"	22.989218
"325030"	282.196647	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+H+Na"	23.996494
"713077"	417.295847	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+H+Na"	23.996494
"1465074"	147.097447	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H+Na"	23.996494
"1053214"	98.4007233333333	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2H+Na"	25.00377
"1257562"	303.231886	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+CH3OH+H"	33.033486
"377475"	579.359958	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+K"	38.963158
"739202"	849.558358	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+K"	38.963158
"1542717"	309.161558	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+K"	38.963158
"301716"	290.183617	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+H+K"	39.970434
"694504"	425.282817	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+H+K"	39.970434
"1449050"	155.084417	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H+K"	39.970434
"236065"	582.430626	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+ACN+H"	42.033826
"1211450"	312.232226	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+ACN+H"	42.033826
"1195342"	156.619751	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+ACN+2H"	43.041102
"191132"	585.36796	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+2Na-H"	44.97116
"630330"	855.56636	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+2Na-H"	44.97116
"1141129"	315.16956	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2Na-H"	44.97116
"181138"	293.187618	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+2Na"	45.978436
"626895"	428.286818	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+2Na"	45.978436
"1127484"	158.088418	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2Na"	45.978436
"1408822"	105.728037333333	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H+2Na"	46.985712
"1439843"	317.211146	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H+HCOOH"	47.012746
"232818"	298.22064	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+3H2O+2H"	56.04448
"1517601"	331.26319	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+IsoProp+H"	61.06479
"415101"	301.174588	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+Na+K"	61.952376
"772087"	436.273788	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+Na+K"	61.952376
"1668783"	166.075388	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Na+K"	61.952376
"253846"	604.412568	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+ACN+Na"	64.015768
"1226919"	334.214168	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+ACN+Na"	64.015768
"1714712"	334.237693	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+NH4+HCOOH"	64.039293
"1180792"	113.055351333333	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+3Na"	68.967654
"1652513"	339.193088	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Na+HCOOH"	68.994688
"160469"	617.31584	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+2K-H"	76.91904
"605502"	887.51424	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+2K-H"	76.91904
"1099620"	347.11744	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2K-H"	76.91904
"156437"	309.161558	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"2M+2K"	77.926316
"595876"	444.260758	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"3M+2K"	77.926316
"1083427"	174.062358	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2K"	77.926316
"1115064"	349.131992	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2K+H"	78.933592
"1349740"	349.219607	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+DMSO+H"	79.021207
"1017779"	353.258776	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2ACN+H"	83.060376
"1538092"	354.252408	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+IsoProp+Na+H"	84.054008
"1003444"	177.133026	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+2ACN+2H"	84.067652
"1602325"	355.167028	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+K+HCOOH"	84.968628
"1428352"	385.198538	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+H+CF3COOH"	115.000138
"1160456"	197.646301	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+3ACN+2H"	125.094202
"1707822"	402.225085	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+NH4+CF3COOH"	132.026685
"1646752"	407.18048	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+Na+CF3COOH"	136.98208
"1575841"	423.15442	"C15020"	"17beta-Methylestra-135(10)-trien-3-ol"	"C19H26O"	"270.1984"	"M+K+CF3COOH"	152.95602
"802685"	418.2409	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M"	0
"975731"	399.22251	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-H2O-H"	-19.01839
"70178"	277.819990666667	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M-3H"	-3.021828
"505362"	417.233624	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M-3H"	-3.021828
"883163"	138.406357333333	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-3H"	-3.021828
"1735"	417.233624	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M-2H"	-2.014552
"444578"	626.354074	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M-2H"	-2.014552
"819825"	208.113174	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-2H"	-2.014552
"79327"	835.474524	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M-H"	-1.007276
"521199"	1253.715424	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M-H"	-1.007276
"897177"	417.233624	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-H"	-1.007276
"47783"	852.501071	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M-2H+NH4"	16.019271
"487110"	1270.741971	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M-2H+NH4"	16.019271
"865029"	434.260171	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-2H+NH4"	16.019271
"33907"	857.456466	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M-2H+Na"	20.974666
"477479"	1275.697366	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M-2H+Na"	20.974666
"854556"	439.215566	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-2H+Na"	20.974666
"1622996"	439.215566	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Na-2H"	20.974666
"98065"	435.221963	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M-H+Cl"	33.962126
"535557"	644.342413	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M-H+Cl"	33.962126
"936976"	226.101513	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-H+Cl"	33.962126
"275535"	871.451202	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+Cl"	34.969402
"663584"	1289.692102	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+Cl"	34.969402
"1287666"	453.210302	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Cl"	34.969402
"28764"	873.430406	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M-2H+K"	36.948606
"469782"	1291.671306	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M-2H+K"	36.948606
"846850"	455.189506	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-2H+K"	36.948606
"1569973"	455.189506	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+K-2H"	36.948606
"954575"	463.239094	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-H+HCOOH"	44.998194
"376191"	881.480001	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+HCOOH-H"	44.998201
"361016"	895.495651	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+Hac-H"	59.013851
"1507813"	477.254751	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Hac-H"	59.013851
"969036"	485.221051	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-H+NaCOOH"	66.980151
"119036"	453.210302	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+2Cl"	69.938804
"564063"	662.330752	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+2Cl"	69.938804
"1036879"	244.089852	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2Cl"	69.938804
"1253534"	497.159785	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Br"	78.918885
"1308329"	499.215772	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Cl+HCOOH"	80.974872
"1323637"	521.197729	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Cl+NaCOOH"	102.956829
"913964"	531.226486	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M-H+CF3COOH"	112.985586
"1293594"	567.203164	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Cl+CF3COOH"	148.962264
"1368837"	383.228224	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H-2H2O"	-35.012676
"1389253"	401.2382	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H-H2O"	-17.0027
"290036"	837.489076	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+H"	1.007276
"679175"	1255.729976	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+H"	1.007276
"1354432"	419.248176	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H"	1.007276
"130600"	419.248176	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+2H"	2.014552
"567979"	628.368626	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+2H"	2.014552
"1048807"	210.127726	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2H"	2.014552
"207594"	279.834542666667	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+3H"	3.021828
"649704"	419.248176	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+3H"	3.021828
"1167830"	140.420909333333	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+3H"	3.021828
"428918"	854.515623	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+NH4"	18.033823
"789914"	1272.756523	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+NH4"	18.033823
"1685149"	436.274723	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+NH4"	18.033823
"333429"	427.7614495	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+H+NH4"	19.041099
"725852"	636.8818995	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+H+NH4"	19.041099
"1482954"	218.6409995	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H+NH4"	19.041099
"400539"	859.471018	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+Na"	22.989218
"758255"	1277.711918	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+Na"	22.989218
"1606355"	441.230118	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Na"	22.989218
"319671"	430.239147	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+H+Na"	23.996494
"708204"	639.359597	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+H+Na"	23.996494
"1461734"	221.118697	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H+Na"	23.996494
"1053805"	147.748223333333	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2H+Na"	25.00377
"1257549"	451.274386	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+CH3OH+H"	33.033486
"377423"	875.444958	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+K"	38.963158
"740409"	1293.685858	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+K"	38.963158
"1542462"	457.204058	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+K"	38.963158
"301462"	438.226117	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+H+K"	39.970434
"693156"	647.346567	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+H+K"	39.970434
"1448067"	229.105667	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H+K"	39.970434
"236663"	878.515626	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+ACN+H"	42.033826
"1210951"	460.274726	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+ACN+H"	42.033826
"1196541"	230.641001	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+ACN+2H"	43.041102
"191607"	881.45296	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+2Na-H"	44.97116
"631533"	1299.69386	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+2Na-H"	44.97116
"1136864"	463.21206	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2Na-H"	44.97116
"177967"	441.230118	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+2Na"	45.978436
"618621"	650.350568	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+2Na"	45.978436
"1127594"	232.109668	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2Na"	45.978436
"1405650"	155.075537333333	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H+2Na"	46.985712
"1442140"	465.253646	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H+HCOOH"	47.012746
"230741"	446.26314	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+3H2O+2H"	56.04448
"1517711"	479.30569	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+IsoProp+H"	61.06479
"415211"	449.217088	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+Na+K"	61.952376
"772561"	658.337538	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+Na+K"	61.952376
"1668165"	240.096638	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Na+K"	61.952376
"254685"	900.497568	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+ACN+Na"	64.015768
"1226666"	482.256668	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+ACN+Na"	64.015768
"1714820"	482.280193	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+NH4+HCOOH"	64.039293
"1180902"	162.402851333333	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+3Na"	68.967654
"1652622"	487.235588	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Na+HCOOH"	68.994688
"160579"	913.40084	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+2K-H"	76.91904
"606705"	1331.64174	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+2K-H"	76.91904
"1099123"	495.15994	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2K-H"	76.91904
"156546"	457.204058	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"2M+2K"	77.926316
"595621"	666.324508	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"3M+2K"	77.926316
"1083982"	248.083608	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2K"	77.926316
"1115051"	497.174492	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2K+H"	78.933592
"1350457"	497.262107	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+DMSO+H"	79.021207
"1017888"	501.301276	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2ACN+H"	83.060376
"1538081"	502.294908	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+IsoProp+Na+H"	84.054008
"1000274"	251.154276	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+2ACN+2H"	84.067652
"1601338"	503.209528	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+K+HCOOH"	84.968628
"1429758"	533.241038	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+H+CF3COOH"	115.000138
"1158379"	271.667551	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+3ACN+2H"	125.094202
"1706838"	550.267585	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+NH4+CF3COOH"	132.026685
"1640302"	555.22298	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+Na+CF3COOH"	136.98208
"1573764"	571.19692	"C15021"	"44-(Diphenylethenylidene)bisNN-dimethylbenzenamine"	"C30H30N2"	"418.2409"	"M+K+CF3COOH"	152.95602
"802188"	332.2351	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M"	0
"974207"	313.21671	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"70288"	220.482790666667	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"504135"	331.227824	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"883273"	109.737757333333	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"871"	331.227824	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"443594"	497.345374	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"819208"	165.110274	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"78598"	663.462924	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"518593"	995.698024	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"898383"	331.227824	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"48748"	680.489471	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"487287"	1012.724571	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"864411"	348.254371	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"32195"	685.444866	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"475768"	1017.679966	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"852479"	353.209766	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1622012"	353.209766	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"96718"	349.216163	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"535789"	515.333713	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"933805"	183.098613	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"275643"	699.439602	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"664784"	1031.674702	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1276096"	367.204502	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"24123"	701.418806	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"471306"	1033.653906	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"847938"	369.183706	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1570691"	369.183706	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"958313"	377.233294	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"376873"	709.468401	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"361246"	723.484051	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1508132"	391.248951	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"968053"	399.215251	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"119147"	367.204502	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"563809"	533.322052	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1037034"	201.086952	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1253644"	411.153985	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1308439"	413.209972	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1323747"	435.191929	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"912739"	445.220686	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1295891"	481.197364	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1372960"	297.222424	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1390456"	315.2324	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"291238"	665.477476	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"679652"	997.712576	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1355634"	333.242376	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"129617"	333.242376	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"571369"	499.359926	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1043449"	167.124826	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"209163"	222.497342666667	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"649817"	333.242376	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1167938"	111.752309333333	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"430122"	682.504023	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"787836"	1014.739123	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1684529"	350.268923	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"331718"	341.7556495	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"724868"	507.8731995	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1480513"	175.6380995	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"399556"	687.459418	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"756543"	1019.694518	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1605735"	355.224318	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"317595"	344.233347	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"707825"	510.350897	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1461356"	178.115797	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1053143"	119.079623333333	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1257288"	365.268586	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"378430"	703.433358	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"739183"	1035.668458	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1542575"	371.198258	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"301209"	352.220317	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"693266"	518.337867	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1450369"	186.102767	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"236413"	706.504026	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1210582"	374.268926	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1196655"	187.638101	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"190623"	709.44136	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"635654"	1041.67646	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1141349"	377.20626	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"181358"	355.224318	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"617638"	521.341868	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1125518"	189.106768	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1405761"	126.406937333333	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1435689"	379.247846	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"231945"	360.25734	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1516727"	393.29989	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"412040"	363.211288	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"772668"	529.328838	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1668275"	197.093738	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"254795"	728.485968	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1226528"	396.250868	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1714569"	396.274393	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1179559"	133.734251333333	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1650666"	401.229788	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"161052"	741.38924	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"607911"	1073.62434	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1095703"	409.15414	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"156826"	371.198258	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"596950"	537.315808	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1083972"	205.080708	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1115164"	411.168692	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1350687"	411.256307	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1017998"	415.295476	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1538557"	416.289108	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"1000384"	208.151376	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1601448"	417.203728	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1429832"	447.235238	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1156302"	228.664651	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1706948"	464.261785	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1640412"	469.21718	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1573874"	485.19112	"C15022"	"11alpha17beta-Dihydroxy-2alpha17-dimethylandrost-4-en-3-one"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"805336"	364.1805	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M"	0
"974520"	345.16211	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-H2O-H"	-19.01839
"66024"	241.779724	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M-3H"	-3.021828
"507768"	363.173224	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M-3H"	-3.021828
"885570"	120.386224	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-3H"	-3.021828
"863"	363.173224	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M-2H"	-2.014552
"444798"	545.263474	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M-2H"	-2.014552
"820412"	181.082974	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-2H"	-2.014552
"81495"	727.353724	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M-H"	-1.007276
"520690"	1091.534224	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M-H"	-1.007276
"900317"	363.173224	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-H"	-1.007276
"48859"	744.380271	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M-2H+NH4"	16.019271
"489148"	1108.560771	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M-2H+NH4"	16.019271
"866587"	380.199771	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-2H+NH4"	16.019271
"33032"	749.335666	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M-2H+Na"	20.974666
"474054"	1113.516166	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M-2H+Na"	20.974666
"851496"	385.155166	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-2H+Na"	20.974666
"1619935"	385.155166	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Na-2H"	20.974666
"95735"	381.161563	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M-H+Cl"	33.962126
"534931"	563.251813	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M-H+Cl"	33.962126
"931729"	199.071313	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-H+Cl"	33.962126
"275753"	763.330402	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+Cl"	34.969402
"662708"	1127.510902	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+Cl"	34.969402
"1272979"	399.149902	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Cl"	34.969402
"23140"	765.309606	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M-2H+K"	36.948606
"471088"	1129.490106	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M-2H+K"	36.948606
"848492"	401.129106	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-2H+K"	36.948606
"1570437"	401.129106	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+K-2H"	36.948606
"958373"	409.178694	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-H+HCOOH"	44.998194
"376779"	773.359201	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+HCOOH-H"	44.998201
"361149"	787.374851	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+Hac-H"	59.013851
"1507793"	423.194351	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Hac-H"	59.013851
"969256"	431.160651	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-H+NaCOOH"	66.980151
"123631"	399.149902	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+2Cl"	69.938804
"562826"	581.240152	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+2Cl"	69.938804
"1034541"	217.059652	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2Cl"	69.938804
"1253754"	443.099385	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Br"	78.918885
"1308549"	445.155372	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Cl+HCOOH"	80.974872
"1320941"	467.137329	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Cl+NaCOOH"	102.956829
"911456"	477.166086	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M-H+CF3COOH"	112.985586
"1296002"	513.142764	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Cl+CF3COOH"	148.962264
"1373070"	329.167824	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H-2H2O"	-35.012676
"1390566"	347.1778	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H-H2O"	-17.0027
"288068"	729.368276	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+H"	1.007276
"679762"	1093.548776	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+H"	1.007276
"1353558"	365.187776	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H"	1.007276
"129727"	365.187776	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+2H"	2.014552
"571479"	547.278026	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+2H"	2.014552
"1041737"	183.097526	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2H"	2.014552
"209273"	243.794276	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+3H"	3.021828
"648105"	365.187776	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+3H"	3.021828
"1168049"	122.400776	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+3H"	3.021828
"430232"	746.394823	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+NH4"	18.033823
"786854"	1110.575323	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+NH4"	18.033823
"1682819"	382.214323	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+NH4"	18.033823
"330735"	373.7010495	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+H+NH4"	19.041099
"725344"	555.7912995	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+H+NH4"	19.041099
"1479895"	191.6107995	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H+NH4"	19.041099
"402947"	751.350218	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+Na"	22.989218
"755560"	1115.530718	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+Na"	22.989218
"1606575"	387.169718	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Na"	22.989218
"317706"	376.178747	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+H+Na"	23.996494
"709031"	558.268997	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+H+Na"	23.996494
"1461796"	194.088497	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H+Na"	23.996494
"1053901"	129.72809	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2H+Na"	25.00377
"1257077"	397.213986	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+CH3OH+H"	33.033486
"377319"	767.324158	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+K"	38.963158
"738528"	1131.504658	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+K"	38.963158
"1543778"	403.143658	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+K"	38.963158
"301319"	384.165717	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+H+K"	39.970434
"694469"	566.255967	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+H+K"	39.970434
"1449020"	202.075467	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H+K"	39.970434
"236642"	770.394826	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+ACN+H"	42.033826
"1211297"	406.214326	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+ACN+H"	42.033826
"1194942"	203.610801	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+ACN+2H"	43.041102
"190369"	773.33216	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+2Na-H"	44.97116
"635764"	1137.51266	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+2Na-H"	44.97116
"1138179"	409.15166	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2Na-H"	44.97116
"174908"	387.169718	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+2Na"	45.978436
"614101"	569.259968	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+2Na"	45.978436
"1120161"	205.079468	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2Na"	45.978436
"1402591"	137.055404	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H+2Na"	46.985712
"1432519"	411.193246	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H+HCOOH"	47.012746
"222214"	392.20274	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+3H2O+2H"	56.04448
"1511734"	425.24529	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+IsoProp+H"	61.06479
"408865"	395.156688	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+Na+K"	61.952376
"771319"	577.246938	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+Na+K"	61.952376
"1667292"	213.066438	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Na+K"	61.952376
"251866"	792.376768	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+ACN+Na"	64.015768
"1225683"	428.196268	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+ACN+Na"	64.015768
"1714067"	428.219793	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+NH4+HCOOH"	64.039293
"1180393"	144.382718	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+3Na"	68.967654
"1651019"	433.175188	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Na+HCOOH"	68.994688
"157388"	805.28004	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+2K-H"	76.91904
"604734"	1169.46054	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+2K-H"	76.91904
"1091437"	441.09954	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2K-H"	76.91904
"152628"	403.143658	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"2M+2K"	77.926316
"595471"	585.233908	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"3M+2K"	77.926316
"1083143"	221.053408	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2K"	77.926316
"1115226"	443.114092	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2K+H"	78.933592
"1351163"	443.201707	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+DMSO+H"	79.021207
"1018109"	447.240876	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2ACN+H"	83.060376
"1538301"	448.234508	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+IsoProp+Na+H"	84.054008
"1001587"	224.124076	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+2ACN+2H"	84.067652
"1602291"	449.149128	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+K+HCOOH"	84.968628
"1429044"	479.180638	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+H+CF3COOH"	115.000138
"1156412"	244.637351	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+3ACN+2H"	125.094202
"1703777"	496.207185	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+NH4+CF3COOH"	132.026685
"1643802"	501.16258	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+Na+CF3COOH"	136.98208
"1578358"	517.13652	"C15023"	"19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate"	"C21H29ClO3"	"364.1805"	"M+K+CF3COOH"	152.95602
"808727"	322.17	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M"	0
"976791"	303.15161	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-H2O-H"	-19.01839
"63339"	213.772724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M-3H"	-3.021828
"506784"	321.162724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M-3H"	-3.021828
"882399"	106.382724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-3H"	-3.021828
"485"	321.162724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M-2H"	-2.014552
"441627"	482.247724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M-2H"	-2.014552
"819429"	160.077724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-2H"	-2.014552
"83794"	643.332724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M-H"	-1.007276
"521165"	965.502724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M-H"	-1.007276
"898238"	321.162724	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-H"	-1.007276
"47751"	660.359271	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M-2H+NH4"	16.019271
"488527"	982.529271	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M-2H+NH4"	16.019271
"865236"	338.189271	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-2H+NH4"	16.019271
"32654"	665.314666	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M-2H+Na"	20.974666
"475990"	987.484666	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M-2H+Na"	20.974666
"851237"	343.144666	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-2H+Na"	20.974666
"1618697"	343.144666	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Na-2H"	20.974666
"94579"	339.151063	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M-H+Cl"	33.962126
"534546"	500.236063	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M-H+Cl"	33.962126
"927575"	178.066063	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-H+Cl"	33.962126
"274770"	679.309402	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+Cl"	34.969402
"661727"	1001.479402	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+Cl"	34.969402
"1273642"	357.139402	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Cl"	34.969402
"24343"	681.288606	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M-2H+K"	36.948606
"470592"	1003.458606	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M-2H+K"	36.948606
"848305"	359.118606	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-2H+K"	36.948606
"1570304"	359.118606	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+K-2H"	36.948606
"958073"	367.168194	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-H+HCOOH"	44.998194
"376486"	689.338201	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+HCOOH-H"	44.998201
"360648"	703.353851	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+Hac-H"	59.013851
"1507658"	381.183851	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Hac-H"	59.013851
"970459"	389.150151	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-H+NaCOOH"	66.980151
"119367"	357.139402	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+2Cl"	69.938804
"562936"	518.224402	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+2Cl"	69.938804
"1035015"	196.054402	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2Cl"	69.938804
"1250584"	401.088885	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Br"	78.918885
"1308658"	403.144872	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Cl+HCOOH"	80.974872
"1321049"	425.126829	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Cl+NaCOOH"	102.956829
"912595"	435.155586	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M-H+CF3COOH"	112.985586
"1294657"	471.132264	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Cl+CF3COOH"	148.962264
"1370996"	287.157324	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H-2H2O"	-35.012676
"1387395"	305.1673	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H-H2O"	-17.0027
"291094"	645.347276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+H"	1.007276
"679508"	967.517276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+H"	1.007276
"1354761"	323.177276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H"	1.007276
"128015"	323.177276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+2H"	2.014552
"570497"	484.262276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+2H"	2.014552
"1040752"	162.092276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2H"	2.014552
"209384"	215.787276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+3H"	3.021828
"646390"	323.177276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+3H"	3.021828
"1165974"	108.397276	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+3H"	3.021828
"425967"	662.373823	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+NH4"	18.033823
"786235"	984.543823	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+NH4"	18.033823
"1684386"	340.203823	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+NH4"	18.033823
"330966"	331.6905495	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+H+NH4"	19.041099
"725090"	492.7755495	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+H+NH4"	19.041099
"1479274"	170.6055495	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H+NH4"	19.041099
"397590"	667.329218	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+Na"	22.989218
"754818"	989.499218	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+Na"	22.989218
"1604499"	345.159218	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Na"	22.989218
"315750"	334.168247	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+H+Na"	23.996494
"707134"	495.253247	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+H+Na"	23.996494
"1461408"	173.083247	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H+Na"	23.996494
"1053036"	115.72459	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2H+Na"	25.00377
"1257271"	355.203486	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+CH3OH+H"	33.033486
"377676"	683.303158	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+K"	38.963158
"738829"	1005.473158	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+K"	38.963158
"1543159"	361.133158	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+K"	38.963158
"301792"	342.155217	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+H+K"	39.970434
"693849"	503.240217	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+H+K"	39.970434
"1446695"	181.070217	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H+K"	39.970434
"236633"	686.373826	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+ACN+H"	42.033826
"1210797"	364.203826	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+ACN+H"	42.033826
"1196145"	182.605551	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+ACN+2H"	43.041102
"191570"	689.31116	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+2Na-H"	44.97116
"631497"	1011.48116	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+2Na-H"	44.97116
"1139382"	367.14116	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2Na-H"	44.97116
"175016"	345.159218	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+2Na"	45.978436
"613850"	506.244218	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+2Na"	45.978436
"1119178"	184.074218	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2Na"	45.978436
"1400515"	123.051904	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H+2Na"	46.985712
"1433723"	369.182746	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H+HCOOH"	47.012746
"220575"	350.19224	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+3H2O+2H"	56.04448
"1509292"	383.23479	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+IsoProp+H"	61.06479
"408922"	353.146188	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+Na+K"	61.952376
"771435"	514.231188	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+Na+K"	61.952376
"1669590"	192.061188	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Na+K"	61.952376
"252462"	708.355768	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+ACN+Na"	64.015768
"1226268"	386.185768	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+ACN+Na"	64.015768
"1713689"	386.209293	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+NH4+HCOOH"	64.039293
"1179051"	130.379218	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+3Na"	68.967654
"1650278"	391.164688	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Na+HCOOH"	68.994688
"161638"	721.25904	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+2K-H"	76.91904
"603022"	1043.42904	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+2K-H"	76.91904
"1086440"	399.08904	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2K-H"	76.91904
"147270"	361.133158	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"2M+2K"	77.926316
"592299"	522.218158	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"3M+2K"	77.926316
"1083867"	200.048158	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2K"	77.926316
"1115336"	401.103592	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2K+H"	78.933592
"1350747"	401.191207	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+DMSO+H"	79.021207
"1018219"	405.230376	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2ACN+H"	83.060376
"1539387"	406.224008	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+IsoProp+Na+H"	84.054008
"1005226"	203.118826	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+2ACN+2H"	84.067652
"1599487"	407.138628	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+K+HCOOH"	84.968628
"1426234"	437.170138	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+H+CF3COOH"	115.000138
"1156522"	223.632101	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+3ACN+2H"	125.094202
"1706074"	454.196685	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+NH4+CF3COOH"	132.026685
"1637351"	459.15208	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+Na+CF3COOH"	136.98208
"1575188"	475.12602	"C15024"	"19-Chloro-17beta-hydroxyandrost-4-en-3-one"	"C19H27ClO2"	"322.17"	"M+K+CF3COOH"	152.95602
"811024"	161.1052	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M"	0
"979087"	142.08681	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-H2O-H"	-19.01839
"66236"	106.396190666667	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M-3H"	-3.021828
"507987"	160.097924	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M-3H"	-3.021828
"884696"	52.6944573333333	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-3H"	-3.021828
"4363"	160.097924	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H"	-2.014552
"447204"	240.650524	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H"	-2.014552
"823912"	79.545324	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H"	-2.014552
"83903"	321.203124	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M-H"	-1.007276
"522736"	482.308324	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M-H"	-1.007276
"902725"	160.097924	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-H"	-1.007276
"50905"	338.229671	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H+NH4"	16.019271
"490098"	499.334871	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H+NH4"	16.019271
"866444"	177.124471	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H+NH4"	16.019271
"33981"	343.185066	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H+Na"	20.974666
"472934"	504.290266	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H+Na"	20.974666
"852441"	182.079866	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H+Na"	20.974666
"1619178"	182.079866	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na-2H"	20.974666
"96317"	178.086263	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M-H+Cl"	33.962126
"538432"	258.638863	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M-H+Cl"	33.962126
"927931"	97.533663	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+Cl"	33.962126
"273786"	357.179802	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Cl"	34.969402
"660864"	518.285002	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+Cl"	34.969402
"1272884"	196.074602	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl"	34.969402
"24453"	359.159006	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M-2H+K"	36.948606
"469123"	520.264206	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M-2H+K"	36.948606
"847793"	198.053806	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-2H+K"	36.948606
"1568958"	198.053806	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+K-2H"	36.948606
"958323"	206.103394	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+HCOOH"	44.998194
"375057"	367.208601	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+HCOOH-H"	44.998201
"359304"	381.224251	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Hac-H"	59.013851
"1506312"	220.119051	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Hac-H"	59.013851
"969475"	228.085351	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+NaCOOH"	66.980151
"117290"	196.074602	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2Cl"	69.938804
"564142"	276.627202	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2Cl"	69.938804
"1033303"	115.522002	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2Cl"	69.938804
"1255067"	240.024085	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Br"	78.918885
"1309862"	242.080072	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl+HCOOH"	80.974872
"1324077"	264.062029	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl+NaCOOH"	102.956829
"912341"	274.090786	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M-H+CF3COOH"	112.985586
"1295131"	310.067464	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Cl+CF3COOH"	148.962264
"1371106"	126.092524	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H-2H2O"	-35.012676
"1387506"	144.1025	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H-H2O"	-17.0027
"288288"	323.217676	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H"	1.007276
"681806"	484.322876	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H"	1.007276
"1357059"	162.112476	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H"	1.007276
"128126"	162.112476	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2H"	2.014552
"571700"	242.665076	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2H"	2.014552
"1041591"	81.559876	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2H"	2.014552
"209494"	108.410742666667	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+3H"	3.021828
"646866"	162.112476	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+3H"	3.021828
"1164992"	54.7090093333333	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+3H"	3.021828
"431546"	340.244223	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+NH4"	18.033823
"786710"	501.349423	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+NH4"	18.033823
"1683766"	179.139023	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+NH4"	18.033823
"331437"	170.6257495	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H+NH4"	19.041099
"724105"	251.1783495	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H+NH4"	19.041099
"1478046"	90.0731495	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+NH4"	19.041099
"398793"	345.199618	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Na"	22.989218
"755171"	506.304818	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+Na"	22.989218
"1605703"	184.094418	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na"	22.989218
"317926"	173.103447	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H+Na"	23.996494
"707707"	253.656047	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H+Na"	23.996494
"1462706"	92.550847	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+Na"	23.996494
"1052989"	62.0363233333333	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2H+Na"	25.00377
"1258359"	194.138686	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+CH3OH+H"	33.033486
"377267"	361.173558	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+K"	38.963158
"741212"	522.278758	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+K"	38.963158
"1543269"	200.068358	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+K"	38.963158
"302630"	181.090417	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+H+K"	39.970434
"692496"	261.643017	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+H+K"	39.970434
"1447777"	100.537817	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+K"	39.970434
"236134"	364.244226	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+ACN+H"	42.033826
"1211511"	203.139026	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+ACN+H"	42.033826
"1194790"	102.073151	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+ACN+2H"	43.041102
"190089"	367.18156	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2Na-H"	44.97116
"630134"	528.28676	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2Na-H"	44.97116
"1139492"	206.07636	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2Na-H"	44.97116
"175126"	184.094418	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2Na"	45.978436
"613596"	264.647018	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2Na"	45.978436
"1117463"	103.541818	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2Na"	45.978436
"1400258"	69.3636373333333	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+2Na"	46.985712
"1430915"	208.117946	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+HCOOH"	47.012746
"220975"	189.12744	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+3H2O+2H"	56.04448
"1509403"	222.16999	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+IsoProp+H"	61.06479
"409208"	192.081388	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+Na+K"	61.952376
"773370"	272.633988	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+Na+K"	61.952376
"1668240"	111.528788	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na+K"	61.952376
"255127"	386.226168	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+ACN+Na"	64.015768
"1226374"	225.120968	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+ACN+Na"	64.015768
"1713798"	225.144493	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+NH4+HCOOH"	64.039293
"1179157"	76.6909513333333	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+3Na"	68.967654
"1651480"	230.099888	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na+HCOOH"	68.994688
"162841"	399.12944	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2K-H"	76.91904
"606047"	560.23464	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2K-H"	76.91904
"1086550"	238.02424	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2K-H"	76.91904
"147012"	200.068358	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"2M+2K"	77.926316
"586940"	280.620958	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"3M+2K"	77.926316
"1074733"	119.515758	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2K"	77.926316
"1115201"	240.038792	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2K+H"	78.933592
"1348465"	240.126407	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+DMSO+H"	79.021207
"1012861"	244.165576	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2ACN+H"	83.060376
"1538647"	245.159208	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+IsoProp+Na+H"	84.054008
"1004485"	122.586426	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+2ACN+2H"	84.067652
"1600689"	246.073828	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+K+HCOOH"	84.968628
"1426346"	276.105338	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+H+CF3COOH"	115.000138
"1159914"	143.099701	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+3ACN+2H"	125.094202
"1709465"	293.131885	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+NH4+CF3COOH"	132.026685
"1646209"	298.08728	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+Na+CF3COOH"	136.98208
"1575298"	314.06122	"C15025"	"(S)-Carnitine;D-Carnitine"	"C7H15NO3"	"161.1052"	"M+K+CF3COOH"	152.95602
"808946"	398.1743	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M"	0
"977009"	379.15591	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-H2O-H"	-19.01839
"64280"	264.442257333333	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M-3H"	-3.021828
"507007"	397.167024	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M-3H"	-3.021828
"885899"	131.717490666667	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-3H"	-3.021828
"6661"	397.167024	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M-2H"	-2.014552
"446221"	596.254174	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M-2H"	-2.014552
"820013"	198.079874	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-2H"	-2.014552
"82922"	795.341324	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M-H"	-1.007276
"529046"	1193.515624	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M-H"	-1.007276
"906847"	397.167024	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-H"	-1.007276
"49923"	812.367871	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M-2H+NH4"	16.019271
"493128"	1210.542171	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M-2H+NH4"	16.019271
"867285"	414.193571	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-2H+NH4"	16.019271
"36646"	817.323266	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M-2H+Na"	20.974666
"475841"	1215.497566	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M-2H+Na"	20.974666
"850729"	419.148966	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-2H+Na"	20.974666
"1621721"	419.148966	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Na-2H"	20.974666
"96793"	415.155363	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M-H+Cl"	33.962126
"538539"	614.242513	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M-H+Cl"	33.962126
"927923"	216.068213	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-H+Cl"	33.962126
"272802"	831.318002	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+Cl"	34.969402
"660608"	1229.492302	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+Cl"	34.969402
"1273130"	433.143702	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Cl"	34.969402
"23470"	833.297206	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M-2H+K"	36.948606
"470568"	1231.471506	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M-2H+K"	36.948606
"848025"	435.122906	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-2H+K"	36.948606
"1570164"	435.122906	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+K-2H"	36.948606
"957315"	443.172494	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-H+HCOOH"	44.998194
"373704"	841.346801	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+HCOOH-H"	44.998201
"359412"	855.362451	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+Hac-H"	59.013851
"1505327"	457.188151	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Hac-H"	59.013851
"971775"	465.154451	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-H+NaCOOH"	66.980151
"122866"	433.143702	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+2Cl"	69.938804
"559146"	632.230852	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+2Cl"	69.938804
"1035236"	234.056552	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2Cl"	69.938804
"1251897"	477.093185	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Br"	78.918885
"1318355"	479.149172	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Cl+HCOOH"	80.974872
"1327469"	501.131129	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Cl+NaCOOH"	102.956829
"916342"	511.159886	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M-H+CF3COOH"	112.985586
"1298157"	547.136564	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Cl+CF3COOH"	148.962264
"1373403"	363.161624	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H-2H2O"	-35.012676
"1392721"	381.1716	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H-H2O"	-17.0027
"292409"	797.355876	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+H"	1.007276
"678637"	1195.530176	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+H"	1.007276
"1354255"	399.181576	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H"	1.007276
"131152"	399.181576	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+2H"	2.014552
"573269"	598.268726	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+2H"	2.014552
"1041703"	200.094426	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2H"	2.014552
"209604"	266.456809333333	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+3H"	3.021828
"646978"	399.181576	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+3H"	3.021828
"1169477"	133.732042666667	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+3H"	3.021828
"433843"	814.382423	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+NH4"	18.033823
"786578"	1212.556723	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+NH4"	18.033823
"1682784"	416.208123	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+NH4"	18.033823
"330698"	407.6948495	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+H+NH4"	19.041099
"723120"	606.7819995	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+H+NH4"	19.041099
"1477791"	208.6076995	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H+NH4"	19.041099
"394654"	819.337818	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+Na"	22.989218
"755521"	1217.512118	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+Na"	22.989218
"1604472"	421.163518	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Na"	22.989218
"315603"	410.172547	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+H+Na"	23.996494
"707779"	609.259697	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+H+Na"	23.996494
"1461847"	211.085397	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H+Na"	23.996494
"1053389"	141.059356666667	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2H+Na"	25.00377
"1259929"	431.207786	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+CH3OH+H"	33.033486
"381060"	835.311758	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+K"	38.963158
"743151"	1233.486058	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+K"	38.963158
"1542651"	437.137458	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+K"	38.963158
"300919"	418.159517	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+H+K"	39.970434
"694799"	617.246667	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+H+K"	39.970434
"1446428"	219.072367	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H+K"	39.970434
"236608"	838.382426	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+ACN+H"	42.033826
"1210773"	440.208126	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+ACN+H"	42.033826
"1195263"	220.607701	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+ACN+2H"	43.041102
"191417"	841.31976	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+2Na-H"	44.97116
"630972"	1239.49406	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+2Na-H"	44.97116
"1142882"	443.14546	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2Na-H"	44.97116
"181799"	421.163518	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+2Na"	45.978436
"615892"	620.250668	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+2Na"	45.978436
"1121584"	222.076368	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2Na"	45.978436
"1407294"	148.386670666667	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H+2Na"	46.985712
"1438318"	445.187046	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H+HCOOH"	47.012746
"225826"	426.19654	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+3H2O+2H"	56.04448
"1509878"	459.23909	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+IsoProp+H"	61.06479
"417949"	429.150488	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+Na+K"	61.952376
"778946"	628.237638	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+Na+K"	61.952376
"1673090"	230.063338	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Na+K"	61.952376
"259610"	860.364368	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+ACN+Na"	64.015768
"1226486"	462.190068	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+ACN+Na"	64.015768
"1713061"	462.213593	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+NH4+HCOOH"	64.039293
"1181459"	155.713984666667	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+3Na"	68.967654
"1651468"	467.168988	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Na+HCOOH"	68.994688
"161494"	873.26764	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+2K-H"	76.91904
"602152"	1271.44194	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+2K-H"	76.91904
"1089580"	475.09334	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2K-H"	76.91904
"146757"	437.137458	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"2M+2K"	77.926316
"588144"	636.224608	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"3M+2K"	77.926316
"1077030"	238.050308	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2K"	77.926316
"1112428"	477.107892	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2K+H"	78.933592
"1349789"	477.195507	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+DMSO+H"	79.021207
"1018438"	481.234676	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2ACN+H"	83.060376
"1539567"	482.228308	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+IsoProp+Na+H"	84.054008
"1003986"	241.120976	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+2ACN+2H"	84.067652
"1601650"	483.142928	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+K+HCOOH"	84.968628
"1423176"	513.174438	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+H+CF3COOH"	115.000138
"1157838"	261.634251	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+3ACN+2H"	125.094202
"1703016"	530.200985	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+NH4+CF3COOH"	132.026685
"1647412"	535.15638	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+Na+CF3COOH"	136.98208
"1578688"	551.13032	"C15026"	"L-365260;N-(3R)-23-Dihydro-1-methyl-2-oxo-5-phenyl-1H-14-benzodiazepin-3-yl-N-(3-methylphenyl)urea"	"C24H22N4O2"	"398.1743"	"M+K+CF3COOH"	152.95602
"809056"	430.178	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M"	0
"976027"	411.15961	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-H2O-H"	-19.01839
"63057"	285.778057333333	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M-3H"	-3.021828
"508211"	429.170724	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M-3H"	-3.021828
"881638"	142.385390666667	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-3H"	-3.021828
"1667"	429.170724	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M-2H"	-2.014552
"445238"	644.259724	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M-2H"	-2.014552
"820851"	214.081724	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-2H"	-2.014552
"81938"	859.348724	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M-H"	-1.007276
"522593"	1289.526724	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M-H"	-1.007276
"896750"	429.170724	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-H"	-1.007276
"47961"	876.375271	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M-2H+NH4"	16.019271
"491049"	1306.553271	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M-2H+NH4"	16.019271
"865202"	446.197271	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-2H+NH4"	16.019271
"34200"	881.330666	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M-2H+Na"	20.974666
"473760"	1311.508666	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M-2H+Na"	20.974666
"848730"	451.152666	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-2H+Na"	20.974666
"1619641"	451.152666	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Na-2H"	20.974666
"95077"	447.159063	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M-H+Cl"	33.962126
"534637"	662.248063	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M-H+Cl"	33.962126
"929251"	232.070063	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-H+Cl"	33.962126
"271089"	895.325402	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+Cl"	34.969402
"660838"	1325.503402	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+Cl"	34.969402
"1273361"	465.147402	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Cl"	34.969402
"16241"	897.304606	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M-2H+K"	36.948606
"470192"	1327.482606	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M-2H+K"	36.948606
"847527"	467.126606	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-2H+K"	36.948606
"1571117"	467.126606	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+K-2H"	36.948606
"957791"	475.176194	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-H+HCOOH"	44.998194
"375881"	905.354201	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+HCOOH-H"	44.998201
"360129"	919.369851	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+Hac-H"	59.013851
"1506529"	489.191851	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Hac-H"	59.013851
"972976"	497.158151	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-H+NaCOOH"	66.980151
"124435"	465.147402	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+2Cl"	69.938804
"562536"	680.236402	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+2Cl"	69.938804
"1036318"	250.058402	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2Cl"	69.938804
"1256017"	509.096885	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Br"	78.918885
"1319194"	511.152872	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Cl+HCOOH"	80.974872
"1326485"	533.134829	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Cl+NaCOOH"	102.956829
"916816"	543.163586	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M-H+CF3COOH"	112.985586
"1297539"	579.140264	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Cl+CF3COOH"	148.962264
"1374607"	395.165324	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H-2H2O"	-35.012676
"1389915"	413.1753	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H-H2O"	-17.0027
"287413"	861.363276	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+H"	1.007276
"683118"	1291.541276	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+H"	1.007276
"1353636"	431.185276	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H"	1.007276
"129441"	431.185276	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+2H"	2.014552
"573014"	646.274276	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+2H"	2.014552
"1041813"	216.096276	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2H"	2.014552
"209714"	287.792609333333	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+3H"	3.021828
"647088"	431.185276	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+3H"	3.021828
"1169587"	144.399942666667	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+3H"	3.021828
"433953"	878.389823	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+NH4"	18.033823
"785795"	1308.567823	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+NH4"	18.033823
"1683626"	448.211823	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+NH4"	18.033823
"329988"	439.6985495	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+H+NH4"	19.041099
"723840"	654.7875495	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+H+NH4"	19.041099
"1477337"	224.6095495	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H+NH4"	19.041099
"394643"	883.345218	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+Na"	22.989218
"757822"	1313.523218	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+Na"	22.989218
"1607013"	453.167218	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Na"	22.989218
"316080"	442.176247	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+H+Na"	23.996494
"707527"	657.265247	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+H+Na"	23.996494
"1461957"	227.087247	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H+Na"	23.996494
"1053622"	151.727256666667	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2H+Na"	25.00377
"1261497"	463.211486	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+CH3OH+H"	33.033486
"383357"	899.319158	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+K"	38.963158
"743261"	1329.497158	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+K"	38.963158
"1542031"	469.141158	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+K"	38.963158
"300301"	450.163217	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+H+K"	39.970434
"693452"	665.252217	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+H+K"	39.970434
"1446904"	235.074217	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H+K"	39.970434
"236956"	902.389826	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+ACN+H"	42.033826
"1210517"	472.211826	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+ACN+H"	42.033826
"1196100"	236.609551	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+ACN+2H"	43.041102
"190070"	905.32716	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+2Na-H"	44.97116
"630721"	1335.50516	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+2Na-H"	44.97116
"1137524"	475.14916	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2Na-H"	44.97116
"180815"	453.167218	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+2Na"	45.978436
"616002"	668.256218	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+2Na"	45.978436
"1118413"	238.078218	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2Na"	45.978436
"1405218"	159.054570666667	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H+2Na"	46.985712
"1436240"	477.190746	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H+HCOOH"	47.012746
"220346"	458.20024	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+3H2O+2H"	56.04448
"1514361"	491.24279	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+IsoProp+H"	61.06479
"409309"	461.154188	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+Na+K"	61.952376
"771764"	676.243188	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+Na+K"	61.952376
"1673200"	246.065188	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Na+K"	61.952376
"258627"	924.371768	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+ACN+Na"	64.015768
"1226718"	494.193768	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+ACN+Na"	64.015768
"1713046"	494.217293	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+NH4+HCOOH"	64.039293
"1185943"	166.381884666667	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+3Na"	68.967654
"1653282"	499.172688	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Na+HCOOH"	68.994688
"157468"	937.27504	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+2K-H"	76.91904
"602262"	1367.45304	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+2K-H"	76.91904
"1089325"	507.09704	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2K-H"	76.91904
"144681"	469.141158	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"2M+2K"	77.926316
"588254"	684.230158	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"3M+2K"	77.926316
"1073860"	254.052158	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2K"	77.926316
"1112538"	509.111592	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2K+H"	78.933592
"1350020"	509.199207	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+DMSO+H"	79.021207
"1020372"	513.238376	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2ACN+H"	83.060376
"1539108"	514.232008	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+IsoProp+Na+H"	84.054008
"1003123"	257.122826	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+2ACN+2H"	84.067652
"1600788"	515.146628	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+K+HCOOH"	84.968628
"1423286"	545.178138	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+H+CF3COOH"	115.000138
"1155761"	277.636101	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+3ACN+2H"	125.094202
"1706406"	562.204685	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+NH4+CF3COOH"	132.026685
"1647522"	567.16008	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+Na+CF3COOH"	136.98208
"1574424"	583.13402	"C15027"	"22-Dimethyl-34-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C27H26O5"	"430.178"	"M+K+CF3COOH"	152.95602
"805886"	303.1623	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M"	0
"977227"	284.14391	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-H2O-H"	-19.01839
"63366"	201.100924	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M-3H"	-3.021828
"507227"	302.155024	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M-3H"	-3.021828
"882109"	100.046824	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-3H"	-3.021828
"1777"	302.155024	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M-2H"	-2.014552
"441214"	453.736174	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M-2H"	-2.014552
"820232"	150.573874	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-2H"	-2.014552
"84235"	605.317324	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M-H"	-1.007276
"522703"	908.479624	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M-H"	-1.007276
"897586"	302.155024	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-H"	-1.007276
"50139"	622.343871	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M-2H+NH4"	16.019271
"492252"	925.506171	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M-2H+NH4"	16.019271
"868594"	319.181571	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-2H+NH4"	16.019271
"35766"	627.299266	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M-2H+Na"	20.974666
"473506"	930.461566	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M-2H+Na"	20.974666
"849487"	324.136966	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-2H+Na"	20.974666
"1620115"	324.136966	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Na-2H"	20.974666
"95917"	320.143363	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M-H+Cl"	33.962126
"534421"	471.724513	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M-H+Cl"	33.962126
"930090"	168.562213	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-H+Cl"	33.962126
"267301"	641.294002	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+Cl"	34.969402
"662164"	944.456302	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+Cl"	34.969402
"1276755"	338.131702	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Cl"	34.969402
"16313"	643.273206	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M-2H+K"	36.948606
"459969"	946.435506	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M-2H+K"	36.948606
"848484"	340.110906	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-2H+K"	36.948606
"1570380"	340.110906	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+K-2H"	36.948606
"957897"	348.160494	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-H+HCOOH"	44.998194
"376115"	651.322801	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+HCOOH-H"	44.998201
"357810"	665.338451	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+Hac-H"	59.013851
"1502267"	362.176151	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Hac-H"	59.013851
"966525"	370.142451	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-H+NaCOOH"	66.980151
"117618"	338.131702	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+2Cl"	69.938804
"553899"	489.712852	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+2Cl"	69.938804
"1025978"	186.550552	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2Cl"	69.938804
"1246650"	382.081185	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Br"	78.918885
"1315659"	384.137172	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Cl+HCOOH"	80.974872
"1327688"	406.119129	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Cl+NaCOOH"	102.956829
"915833"	416.147886	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M-H+CF3COOH"	112.985586
"1294371"	452.124564	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Cl+CF3COOH"	148.962264
"1374715"	268.149624	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H-2H2O"	-35.012676
"1385651"	286.1596	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H-H2O"	-17.0027
"285334"	607.331876	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+H"	1.007276
"676663"	910.494176	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+H"	1.007276
"1352649"	304.169576	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H"	1.007276
"126633"	304.169576	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+2H"	2.014552
"567654"	455.750726	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+2H"	2.014552
"1040829"	152.588426	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2H"	2.014552
"209825"	203.115476	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+3H"	3.021828
"646104"	304.169576	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+3H"	3.021828
"1169697"	102.061376	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+3H"	3.021828
"429688"	624.358423	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+NH4"	18.033823
"785825"	927.520723	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+NH4"	18.033823
"1681916"	321.196123	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+NH4"	18.033823
"333112"	312.6828495	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+H+NH4"	19.041099
"726627"	464.2639995	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+H+NH4"	19.041099
"1484821"	161.1016995	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H+NH4"	19.041099
"392976"	629.313818	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+Na"	22.989218
"754262"	932.476118	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+Na"	22.989218
"1602754"	326.151518	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Na"	22.989218
"315218"	315.160547	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+H+Na"	23.996494
"710679"	466.741697	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+H+Na"	23.996494
"1463527"	163.579397	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H+Na"	23.996494
"1054831"	109.38869	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2H+Na"	25.00377
"1257041"	336.195786	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+CH3OH+H"	33.033486
"377878"	645.287758	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+K"	38.963158
"739723"	948.450058	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+K"	38.963158
"1540319"	342.125458	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+K"	38.963158
"298724"	323.147517	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+H+K"	39.970434
"691377"	474.728667	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+H+K"	39.970434
"1445643"	171.566367	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H+K"	39.970434
"235699"	648.358426	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+ACN+H"	42.033826
"1210302"	345.196126	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+ACN+H"	42.033826
"1194471"	173.101701	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+ACN+2H"	43.041102
"190903"	651.29576	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+2Na-H"	44.97116
"631195"	954.45806	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+2Na-H"	44.97116
"1133622"	348.13346	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2Na-H"	44.97116
"175454"	326.151518	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+2Na"	45.978436
"614043"	477.732668	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+2Na"	45.978436
"1119617"	174.570368	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2Na"	45.978436
"1406422"	116.716004	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H+2Na"	46.985712
"1437442"	350.175046	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H+HCOOH"	47.012746
"224950"	331.18454	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+3H2O+2H"	56.04448
"1514107"	364.22709	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+IsoProp+H"	61.06479
"409784"	334.138488	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+Na+K"	61.952376
"771867"	485.719638	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+Na+K"	61.952376
"1668569"	182.557338	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Na+K"	61.952376
"258736"	670.340368	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+ACN+Na"	64.015768
"1227071"	367.178068	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+ACN+Na"	64.015768
"1712998"	367.201593	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+NH4+HCOOH"	64.039293
"1180219"	124.043318	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+3Na"	68.967654
"1650514"	372.156988	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Na+HCOOH"	68.994688
"162443"	683.24364	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+2K-H"	76.91904
"603103"	986.40594	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+2K-H"	76.91904
"1086886"	380.08134	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2K-H"	76.91904
"145527"	342.125458	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"2M+2K"	77.926316
"585087"	493.706608	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"3M+2K"	77.926316
"1072879"	190.544308	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2K"	77.926316
"1108275"	382.095892	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2K+H"	78.933592
"1350130"	382.183507	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+DMSO+H"	79.021207
"1017565"	386.222676	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2ACN+H"	83.060376
"1536786"	387.216308	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+IsoProp+Na+H"	84.054008
"1002141"	193.614976	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+2ACN+2H"	84.067652
"1595550"	388.130928	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+K+HCOOH"	84.968628
"1425583"	418.162438	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+H+CF3COOH"	115.000138
"1153685"	214.128251	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+3ACN+2H"	125.094202
"1707609"	435.188985	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+NH4+CF3COOH"	132.026685
"1644352"	440.14438	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+Na+CF3COOH"	136.98208
"1574533"	456.11832	"C15028"	"alpha-Ethyl-alphabeta-diphenyl-2-pyridineethanol"	"C21H21NO"	"303.1623"	"M+K+CF3COOH"	152.95602
"802716"	338.1882	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M"	0
"974583"	319.16981	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-H2O-H"	-19.01839
"64490"	224.451524	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M-3H"	-3.021828
"513895"	337.180924	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M-3H"	-3.021828
"886232"	111.722124	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-3H"	-3.021828
"2252"	337.180924	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M-2H"	-2.014552
"441083"	506.275024	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M-2H"	-2.014552
"818886"	168.086824	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-2H"	-2.014552
"85439"	675.369124	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M-H"	-1.007276
"526094"	1013.557324	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M-H"	-1.007276
"897700"	337.180924	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-H"	-1.007276
"49885"	692.395671	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M-2H+NH4"	16.019271
"491633"	1030.583871	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M-2H+NH4"	16.019271
"869068"	354.207471	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-2H+NH4"	16.019271
"34418"	697.351066	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M-2H+Na"	20.974666
"473618"	1035.539266	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M-2H+Na"	20.974666
"849234"	359.162866	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-2H+Na"	20.974666
"1620224"	359.162866	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Na-2H"	20.974666
"97119"	355.169263	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M-H+Cl"	33.962126
"534979"	524.263363	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M-H+Cl"	33.962126
"927190"	186.075163	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-H+Cl"	33.962126
"268385"	711.345802	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+Cl"	34.969402
"661415"	1049.534002	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+Cl"	34.969402
"1272872"	373.157602	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Cl"	34.969402
"16055"	713.325006	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M-2H+K"	36.948606
"455856"	1051.513206	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M-2H+K"	36.948606
"846272"	375.136806	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-2H+K"	36.948606
"1571256"	375.136806	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+K-2H"	36.948606
"955454"	383.186394	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-H+HCOOH"	44.998194
"373670"	721.374601	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+HCOOH-H"	44.998201
"357915"	735.390251	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+Hac-H"	59.013851
"1502375"	397.202051	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Hac-H"	59.013851
"964449"	405.168351	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-H+NaCOOH"	66.980151
"119914"	373.157602	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+2Cl"	69.938804
"558382"	542.251702	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+2Cl"	69.938804
"1027181"	204.063502	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2Cl"	69.938804
"1246759"	417.107085	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Br"	78.918885
"1310301"	419.163072	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Cl+HCOOH"	80.974872
"1328890"	441.145029	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Cl+NaCOOH"	102.956829
"914482"	451.173786	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M-H+CF3COOH"	112.985586
"1297749"	487.150464	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Cl+CF3COOH"	148.962264
"1372633"	303.175524	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H-2H2O"	-35.012676
"1385029"	321.1855	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H-H2O"	-17.0027
"283626"	677.383676	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+H"	1.007276
"677871"	1015.571876	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+H"	1.007276
"1353488"	339.195476	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H"	1.007276
"131483"	339.195476	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+2H"	2.014552
"568857"	508.289576	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+2H"	2.014552
"1042033"	170.101376	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2H"	2.014552
"206653"	226.466076	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+3H"	3.021828
"647307"	339.195476	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+3H"	3.021828
"1166525"	113.736676	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+3H"	3.021828
"425786"	694.410223	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+NH4"	18.033823
"787519"	1032.598423	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+NH4"	18.033823
"1683116"	356.222023	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+NH4"	18.033823
"339783"	347.7087495	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+H+NH4"	19.041099
"733298"	516.8028495	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+H+NH4"	19.041099
"1484932"	178.6146495	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H+NH4"	19.041099
"398143"	699.365618	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+Na"	22.989218
"756952"	1037.553818	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+Na"	22.989218
"1613799"	361.177418	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Na"	22.989218
"318367"	350.186447	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+H+Na"	23.996494
"716258"	519.280547	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+H+Na"	23.996494
"1465705"	181.092347	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H+Na"	23.996494
"1056764"	121.06399	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2H+Na"	25.00377
"1260628"	371.221686	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+CH3OH+H"	33.033486
"378113"	715.339558	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+K"	38.963158
"740201"	1053.527758	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+K"	38.963158
"1540793"	377.151358	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+K"	38.963158
"300889"	358.173417	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+H+K"	39.970434
"691598"	527.267517	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+H+K"	39.970434
"1445633"	189.079317	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H+K"	39.970434
"235706"	718.410226	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+ACN+H"	42.033826
"1210858"	380.222026	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+ACN+H"	42.033826
"1195351"	190.614651	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+ACN+2H"	43.041102
"189927"	721.34756	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+2Na-H"	44.97116
"630577"	1059.53576	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+2Na-H"	44.97116
"1134461"	383.15936	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2Na-H"	44.97116
"174587"	361.177418	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+2Na"	45.978436
"614035"	530.271518	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+2Na"	45.978436
"1123007"	192.083318	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2Na"	45.978436
"1408353"	128.391304	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H+2Na"	46.985712
"1437552"	385.200946	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H+HCOOH"	47.012746
"230527"	366.21044	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+3H2O+2H"	56.04448
"1515311"	399.25299	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+IsoProp+H"	61.06479
"409651"	369.164388	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+Na+K"	61.952376
"773804"	538.258488	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+Na+K"	61.952376
"1667951"	200.070288	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Na+K"	61.952376
"255566"	740.392168	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+ACN+Na"	64.015768
"1227548"	402.203968	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+ACN+Na"	64.015768
"1714366"	402.227493	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+NH4+HCOOH"	64.039293
"1184704"	135.718618	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+3Na"	68.967654
"1653866"	407.182888	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Na+HCOOH"	68.994688
"162553"	753.29544	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+2K-H"	76.91904
"604308"	1091.48364	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+2K-H"	76.91904
"1088088"	415.10724	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2K-H"	76.91904
"150011"	377.151358	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"2M+2K"	77.926316
"588477"	546.245458	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"3M+2K"	77.926316
"1074082"	208.057258	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2K"	77.926316
"1110572"	417.121792	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2K+H"	78.933592
"1351133"	417.209407	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+DMSO+H"	79.021207
"1017675"	421.248576	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2ACN+H"	83.060376
"1538719"	422.242208	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+IsoProp+Na+H"	84.054008
"1001158"	211.127926	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+2ACN+2H"	84.067652
"1594566"	423.156828	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+K+HCOOH"	84.968628
"1425693"	453.188338	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+H+CF3COOH"	115.000138
"1158168"	231.641201	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+3ACN+2H"	125.094202
"1707719"	470.214885	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+NH4+CF3COOH"	132.026685
"1638994"	475.17028	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+Na+CF3COOH"	136.98208
"1576831"	491.14422	"C15029"	"36-Dimethoxy-19-norpregna-13579-pentaen-20-one"	"C22H26O3"	"338.1882"	"M+K+CF3COOH"	152.95602
"812669"	354.1831	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M"	0
"987297"	335.16471	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-H2O-H"	-19.01839
"74445"	235.114790666667	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M-3H"	-3.021828
"514005"	353.175824	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M-3H"	-3.021828
"883064"	117.053757333333	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-3H"	-3.021828
"1030"	353.175824	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M-2H"	-2.014552
"443387"	530.267374	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M-2H"	-2.014552
"820097"	176.084274	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-2H"	-2.014552
"81180"	707.358924	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M-H"	-1.007276
"522926"	1061.542024	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M-H"	-1.007276
"900725"	353.175824	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-H"	-1.007276
"55101"	724.385471	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M-2H+NH4"	16.019271
"492837"	1078.568571	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M-2H+NH4"	16.019271
"868816"	370.202371	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-2H+NH4"	16.019271
"37086"	729.340866	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M-2H+Na"	20.974666
"472156"	1083.523966	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M-2H+Na"	20.974666
"849263"	375.157766	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-2H+Na"	20.974666
"1621800"	375.157766	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Na-2H"	20.974666
"100517"	371.164163	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M-H+Cl"	33.962126
"544451"	548.255713	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M-H+Cl"	33.962126
"934686"	194.072613	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-H+Cl"	33.962126
"274336"	743.335602	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+Cl"	34.969402
"663480"	1097.518702	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+Cl"	34.969402
"1278069"	389.152502	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Cl"	34.969402
"18440"	745.314806	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M-2H+K"	36.948606
"458001"	1099.497906	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M-2H+K"	36.948606
"847484"	391.131706	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-2H+K"	36.948606
"1570972"	391.131706	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+K-2H"	36.948606
"956902"	399.181294	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-H+HCOOH"	44.998194
"375239"	753.364401	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+HCOOH-H"	44.998201
"357665"	767.380051	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+Hac-H"	59.013851
"1502484"	413.196951	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Hac-H"	59.013851
"963829"	421.163251	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-H+NaCOOH"	66.980151
"116745"	389.152502	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+2Cl"	69.938804
"556307"	566.244052	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+2Cl"	69.938804
"1024376"	212.060952	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2Cl"	69.938804
"1247964"	433.101985	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Br"	78.918885
"1310777"	435.157972	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Cl+HCOOH"	80.974872
"1326815"	457.139929	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Cl+NaCOOH"	102.956829
"918966"	467.168686	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M-H+CF3COOH"	112.985586
"1293121"	503.145364	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Cl+CF3COOH"	148.962264
"1380409"	319.170424	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H-2H2O"	-35.012676
"1394620"	337.1804	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H-H2O"	-17.0027
"286657"	709.373476	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+H"	1.007276
"687828"	1063.556576	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+H"	1.007276
"1360532"	355.190376	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H"	1.007276
"132691"	355.190376	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+2H"	2.014552
"573345"	532.281926	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+2H"	2.014552
"1045425"	178.098826	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2H"	2.014552
"210045"	237.129342666667	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+3H"	3.021828
"651795"	355.190376	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+3H"	3.021828
"1175753"	119.068309333333	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+3H"	3.021828
"435379"	726.400023	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+NH4"	18.033823
"798567"	1080.583123	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+NH4"	18.033823
"1693807"	372.216923	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+NH4"	18.033823
"344514"	363.7036495	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+H+NH4"	19.041099
"735597"	540.7951995	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+H+NH4"	19.041099
"1488323"	186.6120995	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H+NH4"	19.041099
"401539"	731.355418	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+Na"	22.989218
"760347"	1085.538518	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+Na"	22.989218
"1609539"	377.172318	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Na"	22.989218
"318847"	366.181347	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+H+Na"	23.996494
"711633"	543.272897	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+H+Na"	23.996494
"1463630"	189.089797	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H+Na"	23.996494
"1053026"	126.395623333333	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2H+Na"	25.00377
"1258921"	387.216586	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+CH3OH+H"	33.033486
"377776"	747.329358	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+K"	38.963158
"739461"	1101.512458	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+K"	38.963158
"1540909"	393.146258	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+K"	38.963158
"300272"	374.168317	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+H+K"	39.970434
"694151"	551.259867	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+H+K"	39.970434
"1446875"	197.076767	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H+K"	39.970434
"239853"	750.400026	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+ACN+H"	42.033826
"1211830"	396.216926	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+ACN+H"	42.033826
"1197537"	198.612101	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+ACN+2H"	43.041102
"189676"	753.33736	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+2Na-H"	44.97116
"631064"	1107.52046	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+2Na-H"	44.97116
"1136760"	399.15426	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2Na-H"	44.97116
"173239"	377.172318	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+2Na"	45.978436
"614142"	554.263868	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+2Na"	45.978436
"1116798"	200.080768	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2Na"	45.978436
"1401173"	133.722937333333	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H+2Na"	46.985712
"1430205"	401.195846	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H+HCOOH"	47.012746
"225171"	382.20534	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+3H2O+2H"	56.04448
"1508613"	415.24789	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+IsoProp+H"	61.06479
"415111"	385.159288	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+Na+K"	61.952376
"772825"	562.250838	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+Na+K"	61.952376
"1665837"	208.067738	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Na+K"	61.952376
"252399"	772.381968	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+ACN+Na"	64.015768
"1230577"	418.198868	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+ACN+Na"	64.015768
"1720557"	418.222393	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+NH4+HCOOH"	64.039293
"1182631"	141.050251333333	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+3Na"	68.967654
"1651062"	423.177788	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Na+HCOOH"	68.994688
"160477"	785.28524	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+2K-H"	76.91904
"604414"	1139.46834	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+2K-H"	76.91904
"1088924"	431.10214	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2K-H"	76.91904
"146108"	393.146258	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"2M+2K"	77.926316
"584936"	570.237808	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"3M+2K"	77.926316
"1077472"	216.054708	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2K"	77.926316
"1111775"	433.116692	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2K+H"	78.933592
"1350838"	433.204307	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+DMSO+H"	79.021207
"1017785"	437.243476	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2ACN+H"	83.060376
"1537005"	438.237108	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+IsoProp+Na+H"	84.054008
"1000174"	219.125376	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+2ACN+2H"	84.067652
"1596863"	439.151728	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+K+HCOOH"	84.968628
"1424710"	469.183238	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+H+CF3COOH"	115.000138
"1154997"	239.638651	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+3ACN+2H"	125.094202
"1706734"	486.209785	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+NH4+CF3COOH"	132.026685
"1639104"	491.16518	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+Na+CF3COOH"	136.98208
"1574753"	507.13912	"C15030"	"36-Dimethoxyestra-135(10)68-pentaene-17beta-carboxylic acid methyl ester"	"C22H26O4"	"354.1831"	"M+K+CF3COOH"	152.95602
"809497"	302.0427	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M"	0
"979748"	283.02431	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-H2O-H"	-19.01839
"63617"	200.354524	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M-3H"	-3.021828
"514115"	301.035424	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M-3H"	-3.021828
"887542"	99.673624	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-3H"	-3.021828
"2840"	301.035424	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M-2H"	-2.014552
"442402"	452.056774	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M-2H"	-2.014552
"818747"	150.014074	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-2H"	-2.014552
"85666"	603.078124	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M-H"	-1.007276
"520852"	905.120824	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M-H"	-1.007276
"903022"	301.035424	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-H"	-1.007276
"58492"	620.104671	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M-2H+NH4"	16.019271
"491490"	922.147371	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M-2H+NH4"	16.019271
"868929"	318.061971	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-2H+NH4"	16.019271
"37196"	625.060066	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M-2H+Na"	20.974666
"473238"	927.102766	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M-2H+Na"	20.974666
"850792"	323.017366	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-2H+Na"	20.974666
"1625191"	323.017366	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Na-2H"	20.974666
"100627"	319.023763	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M-H+Cl"	33.962126
"539094"	470.045113	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M-H+Cl"	33.962126
"932609"	168.002413	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-H+Cl"	33.962126
"271530"	639.054802	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+Cl"	34.969402
"663952"	941.097502	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+Cl"	34.969402
"1277086"	337.012102	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Cl"	34.969402
"17699"	641.034006	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M-2H+K"	36.948606
"465766"	943.076706	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M-2H+K"	36.948606
"848418"	338.991306	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-2H+K"	36.948606
"1569617"	338.991306	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+K-2H"	36.948606
"953852"	347.040894	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-H+HCOOH"	44.998194
"370974"	649.083601	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+HCOOH-H"	44.998201
"357047"	663.099251	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+Hac-H"	59.013851
"1499314"	361.056551	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Hac-H"	59.013851
"962846"	369.022851	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-H+NaCOOH"	66.980151
"115762"	337.012102	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+2Cl"	69.938804
"553864"	488.033452	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+2Cl"	69.938804
"1026671"	185.990752	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2Cl"	69.938804
"1248074"	380.961585	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Br"	78.918885
"1310520"	383.017572	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Cl+HCOOH"	80.974872
"1326924"	404.999529	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Cl+NaCOOH"	102.956829
"917253"	415.028286	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M-H+CF3COOH"	112.985586
"1295784"	451.004964	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Cl+CF3COOH"	148.962264
"1380154"	267.030024	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H-2H2O"	-35.012676
"1395095"	285.04	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H-H2O"	-17.0027
"291142"	605.092676	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+H"	1.007276
"690125"	907.135376	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+H"	1.007276
"1358819"	303.049976	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H"	1.007276
"132801"	303.049976	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+2H"	2.014552
"571267"	454.071326	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+2H"	2.014552
"1042254"	152.028626	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2H"	2.014552
"211246"	202.369076	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+3H"	3.021828
"651905"	303.049976	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+3H"	3.021828
"1170030"	101.688176	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+3H"	3.021828
"430021"	622.119223	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+NH4"	18.033823
"796490"	924.161923	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+NH4"	18.033823
"1695738"	320.076523	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+NH4"	18.033823
"340005"	311.5632495	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+H+NH4"	19.041099
"726959"	462.5845995	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+H+NH4"	19.041099
"1488433"	160.5418995	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H+NH4"	19.041099
"404928"	627.074618	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+Na"	22.989218
"763738"	929.117318	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+Na"	22.989218
"1615117"	325.031918	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Na"	22.989218
"318957"	314.040947	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+H+Na"	23.996494
"711015"	465.062297	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+H+Na"	23.996494
"1462646"	163.019597	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H+Na"	23.996494
"1055894"	109.01549	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2H+Na"	25.00377
"1257570"	335.076186	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+CH3OH+H"	33.033486
"378210"	643.048558	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+K"	38.963158
"739246"	945.091258	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+K"	38.963158
"1541384"	341.005858	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+K"	38.963158
"302933"	322.027917	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+H+K"	39.970434
"695354"	473.049267	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+H+K"	39.970434
"1449174"	171.006567	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H+K"	39.970434
"239963"	646.119226	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+ACN+H"	42.033826
"1215953"	344.076526	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+ACN+H"	42.033826
"1198744"	172.541901	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+ACN+2H"	43.041102
"193802"	649.05656	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+2Na-H"	44.97116
"631536"	951.09926	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+2Na-H"	44.97116
"1136872"	347.01386	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2Na-H"	44.97116
"173473"	325.031918	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+2Na"	45.978436
"619720"	476.053268	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+2Na"	45.978436
"1118853"	174.010568	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2Na"	45.978436
"1408937"	116.342804	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H+2Na"	46.985712
"1430841"	349.055446	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H+HCOOH"	47.012746
"222364"	330.06494	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+3H2O+2H"	56.04448
"1510060"	363.10749	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+IsoProp+H"	61.06479
"415221"	333.018888	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+Na+K"	61.952376
"772935"	484.040238	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+Na+K"	61.952376
"1667083"	181.997538	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Na+K"	61.952376
"252509"	668.101168	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+ACN+Na"	64.015768
"1227407"	366.058468	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+ACN+Na"	64.015768
"1717386"	366.081993	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+NH4+HCOOH"	64.039293
"1181648"	123.670118	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+3Na"	68.967654
"1653724"	371.037388	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Na+HCOOH"	68.994688
"161680"	681.00444	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+2K-H"	76.91904
"604524"	983.04714	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+2K-H"	76.91904
"1090128"	378.96174	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2K-H"	76.91904
"149134"	341.005858	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"2M+2K"	77.926316
"587600"	492.027208	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"3M+2K"	77.926316
"1081957"	189.984508	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2K"	77.926316
"1111885"	380.976292	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2K+H"	78.933592
"1350217"	381.063907	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+DMSO+H"	79.021207
"1017894"	385.103076	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2ACN+H"	83.060376
"1538575"	386.096708	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+IsoProp+Na+H"	84.054008
"1002471"	193.055176	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+2ACN+2H"	84.067652
"1596976"	387.011328	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+K+HCOOH"	84.968628
"1424820"	417.042838	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+H+CF3COOH"	115.000138
"1155109"	213.568451	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+3ACN+2H"	125.094202
"1711220"	434.069385	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+NH4+CF3COOH"	132.026685
"1644682"	439.02478	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+Na+CF3COOH"	136.98208
"1579238"	454.99872	"C15031"	"2-(4-Hydroxyphenyl)-5678-tetrahydroxy-4H-1-benzopyran-4-one;56784-Pentahydroxyflavone;Nortangeretin"	"C15H10O7"	"302.0427"	"M+K+CF3COOH"	152.95602
"806326"	249.1365	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M"	0
"974463"	230.11811	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-H2O-H"	-19.01839
"63209"	165.083724	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M-3H"	-3.021828
"515318"	248.129224	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M-3H"	-3.021828
"888745"	82.038224	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-3H"	-3.021828
"1858"	248.129224	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M-2H"	-2.014552
"443605"	372.697474	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M-2H"	-2.014552
"826873"	123.560974	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-2H"	-2.014552
"86869"	497.265724	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M-H"	-1.007276
"527524"	746.402224	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M-H"	-1.007276
"900946"	248.129224	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-H"	-1.007276
"57509"	514.292271	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M-2H+NH4"	16.019271
"492695"	763.428771	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M-2H+NH4"	16.019271
"869039"	265.155771	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-2H+NH4"	16.019271
"36578"	519.247666	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M-2H+Na"	20.974666
"481246"	768.384166	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M-2H+Na"	20.974666
"851756"	270.111166	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-2H+Na"	20.974666
"1624208"	270.111166	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Na-2H"	20.974666
"96361"	266.117563	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M-H+Cl"	33.962126
"539204"	390.685813	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M-H+Cl"	33.962126
"932719"	141.549313	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-H+Cl"	33.962126
"271276"	533.242402	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+Cl"	34.969402
"664791"	782.378902	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+Cl"	34.969402
"1278289"	284.105902	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Cl"	34.969402
"21942"	535.221606	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M-2H+K"	36.948606
"465876"	784.358106	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M-2H+K"	36.948606
"848447"	286.085106	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-2H+K"	36.948606
"1570950"	286.085106	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+K-2H"	36.948606
"958470"	294.134694	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-H+HCOOH"	44.998194
"374732"	543.271201	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+HCOOH-H"	44.998201
"358860"	557.286851	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+Hac-H"	59.013851
"1499428"	308.150351	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Hac-H"	59.013851
"964778"	316.116651	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-H+NaCOOH"	66.980151
"115871"	284.105902	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+2Cl"	69.938804
"556890"	408.674152	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+2Cl"	69.938804
"1030791"	159.537652	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2Cl"	69.938804
"1252555"	328.055385	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Br"	78.918885
"1312816"	330.111372	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Cl+HCOOH"	80.974872
"1329219"	352.093329	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Cl+NaCOOH"	102.956829
"918455"	362.122086	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M-H+CF3COOH"	112.985586
"1293706"	398.098764	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Cl+CF3COOH"	148.962264
"1382373"	214.123824	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H-2H2O"	-35.012676
"1393382"	232.1338	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H-H2O"	-17.0027
"296722"	499.280276	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+H"	1.007276
"688049"	748.416776	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+H"	1.007276
"1362939"	250.143776	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H"	1.007276
"134003"	250.143776	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+2H"	2.014552
"573562"	374.712026	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+2H"	2.014552
"1042365"	125.575526	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2H"	2.014552
"210263"	167.098276	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+3H"	3.021828
"654202"	250.143776	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+3H"	3.021828
"1170140"	84.052776	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+3H"	3.021828
"429038"	516.306823	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+NH4"	18.033823
"799155"	765.443323	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+NH4"	18.033823
"1691842"	267.170323	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+NH4"	18.033823
"344855"	258.6570495	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+H+NH4"	19.041099
"730351"	383.2252995	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+H+NH4"	19.041099
"1488544"	134.0887995	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H+NH4"	19.041099
"403946"	521.262218	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+Na"	22.989218
"767128"	770.398718	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+Na"	22.989218
"1616319"	272.125718	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Na"	22.989218
"325264"	261.134747	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+H+Na"	23.996494
"712220"	385.702997	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+H+Na"	23.996494
"1464946"	136.566497	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H+Na"	23.996494
"1058193"	91.38009	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2H+Na"	25.00377
"1258778"	282.169986	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+CH3OH+H"	33.033486
"379538"	537.236158	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+K"	38.963158
"744907"	786.372658	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+K"	38.963158
"1546959"	288.099658	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+K"	38.963158
"305230"	269.121717	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+H+K"	39.970434
"697651"	393.689967	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+H+K"	39.970434
"1450742"	144.553467	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H+K"	39.970434
"241166"	540.306826	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+ACN+H"	42.033826
"1209999"	291.170326	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+ACN+H"	42.033826
"1201040"	146.088801	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+ACN+2H"	43.041102
"195003"	543.24416	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+2Na-H"	44.97116
"630309"	792.38066	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+2Na-H"	44.97116
"1142084"	294.10766	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2Na-H"	44.97116
"175899"	272.125718	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+2Na"	45.978436
"615578"	396.693968	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+2Na"	45.978436
"1122243"	147.557468	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2Na"	45.978436
"1405768"	98.707404	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H+2Na"	46.985712
"1431928"	296.149246	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H+HCOOH"	47.012746
"226484"	277.15874	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+3H2O+2H"	56.04448
"1513452"	310.20129	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+IsoProp+H"	61.06479
"415331"	280.112688	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+Na+K"	61.952376
"775232"	404.680938	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+Na+K"	61.952376
"1668286"	155.544438	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Na+K"	61.952376
"253714"	562.288768	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+ACN+Na"	64.015768
"1229704"	313.152268	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+ACN+Na"	64.015768
"1722964"	313.175793	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+NH4+HCOOH"	64.039293
"1182851"	106.034718	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+3Na"	68.967654
"1654927"	318.131188	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Na+HCOOH"	68.994688
"162883"	575.19204	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+2K-H"	76.91904
"603541"	824.32854	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+2K-H"	76.91904
"1090238"	326.05554	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2K-H"	76.91904
"152525"	288.099658	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"2M+2K"	77.926316
"593179"	412.667908	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"3M+2K"	77.926316
"1081946"	163.531408	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2K"	77.926316
"1113088"	328.070092	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2K+H"	78.933592
"1350211"	328.157707	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+DMSO+H"	79.021207
"1018004"	332.196876	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2ACN+H"	83.060376
"1538321"	333.190508	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+IsoProp+Na+H"	84.054008
"1001126"	166.602076	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+2ACN+2H"	84.067652
"1600365"	334.105128	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+K+HCOOH"	84.968628
"1426023"	364.136638	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+H+CF3COOH"	115.000138
"1156312"	187.115351	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+3ACN+2H"	125.094202
"1711330"	381.163185	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+NH4+CF3COOH"	132.026685
"1644792"	386.11858	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+Na+CF3COOH"	136.98208
"1579348"	402.09252	"C15032"	"1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone;4-Methoxy-3-morpholino-propiophenone"	"C14H19NO3"	"249.1365"	"M+K+CF3COOH"	152.95602
"806436"	326.2358	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M"	0
"976684"	307.21741	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-H2O-H"	-19.01839
"62933"	216.483257333333	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M-3H"	-3.021828
"512148"	325.228524	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M-3H"	-3.021828
"885575"	107.737990666667	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-3H"	-3.021828
"1231"	325.228524	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M-2H"	-2.014552
"446995"	488.346424	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M-2H"	-2.014552
"821514"	162.110624	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-2H"	-2.014552
"85886"	651.464324	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M-H"	-1.007276
"526541"	977.700124	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M-H"	-1.007276
"898140"	325.228524	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-H"	-1.007276
"49966"	668.490871	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M-2H+NH4"	16.019271
"489525"	994.726671	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M-2H+NH4"	16.019271
"865867"	342.255071	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-2H+NH4"	16.019271
"36324"	673.446266	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M-2H+Na"	20.974666
"476977"	999.682066	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M-2H+Na"	20.974666
"851503"	347.210466	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-2H+Na"	20.974666
"1621398"	347.210466	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Na-2H"	20.974666
"98657"	343.216863	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M-H+Cl"	33.962126
"536397"	506.334763	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M-H+Cl"	33.962126
"932829"	180.098963	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-H+Cl"	33.962126
"270292"	687.441002	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+Cl"	34.969402
"664901"	1013.676802	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+Cl"	34.969402
"1278399"	361.205202	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Cl"	34.969402
"24238"	689.420206	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M-2H+K"	36.948606
"465986"	1015.656006	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M-2H+K"	36.948606
"848500"	363.184406	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-2H+K"	36.948606
"1571296"	363.184406	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+K-2H"	36.948606
"958422"	371.233994	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-H+HCOOH"	44.998194
"377002"	697.469801	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+HCOOH-H"	44.998201
"360185"	711.485451	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+Hac-H"	59.013851
"1498445"	385.249651	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Hac-H"	59.013851
"967079"	393.215951	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-H+NaCOOH"	66.980151
"120360"	361.205202	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+2Cl"	69.938804
"556638"	524.323102	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+2Cl"	69.938804
"1028715"	198.087302	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2Cl"	69.938804
"1249386"	405.154685	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Br"	78.918885
"1310011"	407.210672	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Cl+HCOOH"	80.974872
"1324958"	429.192629	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Cl+NaCOOH"	102.956829
"918203"	439.221386	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M-H+CF3COOH"	112.985586
"1294909"	475.198064	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Cl+CF3COOH"	148.962264
"1382158"	291.223124	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H-2H2O"	-35.012676
"1391670"	309.2331	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H-H2O"	-17.0027
"297925"	653.478876	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+H"	1.007276
"683787"	979.714676	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+H"	1.007276
"1365602"	327.243076	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H"	1.007276
"138854"	327.243076	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+2H"	2.014552
"576955"	490.360976	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+2H"	2.014552
"1047943"	164.125176	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2H"	2.014552
"207095"	218.497809333333	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+3H"	3.021828
"652126"	327.243076	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+3H"	3.021828
"1168062"	109.752542666667	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+3H"	3.021828
"429148"	670.505423	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+NH4"	18.033823
"797807"	996.741223	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+NH4"	18.033823
"1691951"	344.269623	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+NH4"	18.033823
"343509"	335.7563495	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+H+NH4"	19.041099
"735930"	498.8742495	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+H+NH4"	19.041099
"1489750"	172.6384495	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H+NH4"	19.041099
"401870"	675.460818	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+Na"	22.989218
"767240"	1001.696618	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+Na"	22.989218
"1613151"	349.225018	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Na"	22.989218
"322094"	338.234047	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+H+Na"	23.996494
"714516"	501.351947	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+H+Na"	23.996494
"1466150"	175.116147	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H+Na"	23.996494
"1057209"	117.079856666667	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2H+Na"	25.00377
"1261075"	359.269286	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+CH3OH+H"	33.033486
"381835"	691.434758	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+K"	38.963158
"741738"	1017.670558	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+K"	38.963158
"1541968"	365.198958	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+K"	38.963158
"303154"	346.221017	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+H+K"	39.970434
"696669"	509.338917	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+H+K"	39.970434
"1451581"	183.103117	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H+K"	39.970434
"241276"	694.505426	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+ACN+H"	42.033826
"1210055"	368.269626	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+ACN+H"	42.033826
"1200057"	184.638451	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+ACN+2H"	43.041102
"192927"	697.44276	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+2Na-H"	44.97116
"630664"	1023.67856	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+2Na-H"	44.97116
"1137089"	371.20696	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2Na-H"	44.97116
"181475"	349.225018	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+2Na"	45.978436
"615568"	512.342918	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+2Na"	45.978436
"1124540"	186.107118	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2Na"	45.978436
"1410250"	124.407170666667	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H+2Na"	46.985712
"1432892"	373.248546	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H+HCOOH"	47.012746
"225501"	354.25804	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+3H2O+2H"	56.04448
"1513564"	387.30059	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+IsoProp+H"	61.06479
"416534"	357.211988	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+Na+K"	61.952376
"774613"	520.329888	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+Na+K"	61.952376
"1673862"	194.094088	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Na+K"	61.952376
"254917"	716.487368	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+ACN+Na"	64.015768
"1230902"	390.251568	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+ACN+Na"	64.015768
"1718699"	390.275093	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+NH4+HCOOH"	64.039293
"1182959"	131.734484666667	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+3Na"	68.967654
"1654669"	395.230488	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Na+HCOOH"	68.994688
"160195"	729.39064	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+2K-H"	76.91904
"602555"	1055.62644	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+2K-H"	76.91904
"1086336"	403.15484	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2K-H"	76.91904
"149357"	365.198958	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"2M+2K"	77.926316
"590007"	528.316858	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"3M+2K"	77.926316
"1082056"	202.081058	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2K"	77.926316
"1113198"	405.169392	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2K+H"	78.933592
"1350683"	405.257007	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+DMSO+H"	79.021207
"1018113"	409.296176	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2ACN+H"	83.060376
"1535148"	410.289808	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+IsoProp+Na+H"	84.054008
"1003785"	205.151726	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+2ACN+2H"	84.067652
"1599379"	411.204428	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+K+HCOOH"	84.968628
"1425040"	441.235938	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+H+CF3COOH"	115.000138
"1155328"	225.665001	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+3ACN+2H"	125.094202
"1710347"	458.262485	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+NH4+CF3COOH"	132.026685
"1640529"	463.21788	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+Na+CF3COOH"	136.98208
"1576178"	479.19182	"C15033"	"Hydroxystenozole;17alpha-Methyl-2H-androsta-24-dieno32-cpyrazol-17beta-ol"	"C21H30N2O"	"326.2358"	"M+K+CF3COOH"	152.95602
"803266"	362.2093	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M"	0
"974466"	343.19091	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-H2O-H"	-19.01839
"62996"	240.465590666667	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M-3H"	-3.021828
"508977"	361.202024	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M-3H"	-3.021828
"884592"	119.729157333333	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-3H"	-3.021828
"733"	361.202024	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M-2H"	-2.014552
"447105"	542.306674	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M-2H"	-2.014552
"820532"	180.097374	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-2H"	-2.014552
"85996"	723.411324	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M-H"	-1.007276
"527744"	1085.620624	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M-H"	-1.007276
"896549"	361.202024	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-H"	-1.007276
"49707"	740.437871	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M-2H+NH4"	16.019271
"489270"	1102.647171	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M-2H+NH4"	16.019271
"866341"	378.228571	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-2H+NH4"	16.019271
"33518"	745.393266	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M-2H+Na"	20.974666
"477088"	1107.602566	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M-2H+Na"	20.974666
"854892"	383.183966	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-2H+Na"	20.974666
"1625519"	383.183966	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Na-2H"	20.974666
"103140"	379.190363	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M-H+Cl"	33.962126
"540513"	560.295013	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M-H+Cl"	33.962126
"930752"	198.085713	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-H+Cl"	33.962126
"273683"	759.388002	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+Cl"	34.969402
"669386"	1121.597302	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+Cl"	34.969402
"1279604"	397.178702	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Cl"	34.969402
"29453"	761.367206	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M-2H+K"	36.948606
"465003"	1123.576506	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M-2H+K"	36.948606
"848330"	399.157906	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-2H+K"	36.948606
"1571045"	399.157906	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+K-2H"	36.948606
"958199"	407.207494	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-H+HCOOH"	44.998194
"376414"	769.416801	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+HCOOH-H"	44.998201
"358472"	783.432451	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+Hac-H"	59.013851
"1500742"	421.223151	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Hac-H"	59.013851
"967189"	429.189451	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-H+NaCOOH"	66.980151
"120835"	397.178702	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+2Cl"	69.938804
"558932"	578.283352	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+2Cl"	69.938804
"1029916"	216.074052	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2Cl"	69.938804
"1252775"	441.128185	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Br"	78.918885
"1310122"	443.184172	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Cl+HCOOH"	80.974872
"1326161"	465.166129	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Cl+NaCOOH"	102.956829
"916491"	475.194886	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M-H+CF3COOH"	112.985586
"1294290"	511.171564	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Cl+CF3COOH"	148.962264
"1370267"	327.196624	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H-2H2O"	-35.012676
"1390686"	345.2066	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H-H2O"	-17.0027
"293663"	725.425876	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+H"	1.007276
"680617"	1087.635176	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+H"	1.007276
"1366563"	363.216576	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H"	1.007276
"138600"	363.216576	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+2H"	2.014552
"578159"	544.321226	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+2H"	2.014552
"1044773"	182.111926	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2H"	2.014552
"207205"	242.480142666667	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+3H"	3.021828
"652236"	363.216576	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+3H"	3.021828
"1165256"	121.743709333333	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+3H"	3.021828
"429258"	742.452423	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+NH4"	18.033823
"797917"	1104.661723	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+NH4"	18.033823
"1692061"	380.243123	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+NH4"	18.033823
"342162"	371.7298495	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+H+NH4"	19.041099
"730573"	552.8344995	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+H+NH4"	19.041099
"1486580"	190.6251995	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H+NH4"	19.041099
"403073"	747.407818	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+Na"	22.989218
"766257"	1109.617118	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+Na"	22.989218
"1609981"	385.198518	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Na"	22.989218
"319651"	374.207547	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+H+Na"	23.996494
"712439"	555.312197	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+H+Na"	23.996494
"1464803"	193.102897	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H+Na"	23.996494
"1057682"	129.071023333333	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2H+Na"	25.00377
"1261185"	395.242786	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+CH3OH+H"	33.033486
"377569"	763.381758	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+K"	38.963158
"740753"	1125.591058	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+K"	38.963158
"1542442"	401.172458	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+K"	38.963158
"304358"	382.194517	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+H+K"	39.970434
"694592"	563.299167	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+H+K"	39.970434
"1451692"	201.089867	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H+K"	39.970434
"241387"	766.452426	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+ACN+H"	42.033826
"1213001"	404.243126	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+ACN+H"	42.033826
"1199074"	202.625201	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+ACN+2H"	43.041102
"191944"	769.38976	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+2Na-H"	44.97116
"631138"	1131.59906	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+2Na-H"	44.97116
"1138292"	407.18046	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2Na-H"	44.97116
"176847"	385.198518	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+2Na"	45.978436
"621145"	566.303168	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+2Na"	45.978436
"1125744"	204.093868	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2Na"	45.978436
"1409267"	136.398337333333	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H+2Na"	46.985712
"1433366"	409.222046	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H+HCOOH"	47.012746
"226705"	390.23154	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+3H2O+2H"	56.04448
"1513675"	423.27409	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+IsoProp+H"	61.06479
"411541"	393.185488	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+Na+K"	61.952376
"774722"	574.290138	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+Na+K"	61.952376
"1672878"	212.080838	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Na+K"	61.952376
"255027"	788.434368	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+ACN+Na"	64.015768
"1229917"	426.225068	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+ACN+Na"	64.015768
"1717716"	426.248593	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+NH4+HCOOH"	64.039293
"1181247"	143.725651333333	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+3Na"	68.967654
"1654414"	431.203988	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Na+HCOOH"	68.994688
"160184"	801.33764	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+2K-H"	76.91904
"600479"	1163.54694	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+2K-H"	76.91904
"1087538"	439.12834	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2K-H"	76.91904
"152746"	401.172458	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"2M+2K"	77.926316
"590117"	582.277108	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"3M+2K"	77.926316
"1083138"	220.067808	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2K"	77.926316
"1114889"	441.142892	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2K+H"	78.933592
"1351035"	441.230507	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+DMSO+H"	79.021207
"1019195"	445.269676	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2ACN+H"	83.060376
"1536351"	446.263308	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+IsoProp+Na+H"	84.054008
"1004988"	223.138476	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+2ACN+2H"	84.067652
"1599490"	447.177928	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+K+HCOOH"	84.968628
"1427336"	477.209438	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+H+CF3COOH"	115.000138
"1154345"	243.651751	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+3ACN+2H"	125.094202
"1711550"	494.235985	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+NH4+CF3COOH"	132.026685
"1643919"	499.19138	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+Na+CF3COOH"	136.98208
"1576288"	515.16532	"C15034"	"16alpha-Hydroxycorticosterone;11beta16alpha21-Trihydroxypregn-4-ene-320-dione"	"C21H30O5"	"362.2093"	"M+K+CF3COOH"	152.95602
"803376"	320.2351	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M"	0
"976173"	301.21671	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"63690"	212.482790666667	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"509087"	319.227824	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"884702"	105.737757333333	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"2181"	319.227824	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"446121"	479.345374	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"821735"	159.110274	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"86106"	639.462924	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"527854"	959.698024	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"902375"	319.227824	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"50544"	656.489471	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"490109"	976.724571	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"867544"	336.254371	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"33626"	661.444866	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"480478"	981.679966	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"849536"	341.209766	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1622348"	341.209766	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"101063"	337.216163	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"535156"	497.333713	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"934142"	177.098613	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"273793"	675.439602	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"668403"	995.674702	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1279714"	355.204502	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"28836"	677.418806	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"466206"	997.653906	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"846941"	357.183706	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1570060"	357.183706	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"956851"	365.233294	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"376158"	685.468401	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"356760"	699.484051	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1504863"	379.248951	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"969852"	387.215251	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"119852"	355.204502	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"559043"	515.322052	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1030030"	195.086952	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1251792"	399.153985	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1310233"	401.209972	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1327364"	423.191929	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"917330"	433.220686	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1294037"	469.197364	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1373293"	285.222424	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1391525"	303.2324	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"295962"	641.477476	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"684007"	961.712576	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1364732"	321.242376	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"140049"	321.242376	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"580455"	481.359926	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1045973"	161.124826	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"209499"	214.497342666667	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"657449"	321.242376	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1168281"	107.752309333333	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"430461"	658.504023	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"794749"	978.739123	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1691078"	338.268923	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"337169"	329.7556495	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"727039"	489.8731995	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1483411"	169.6380995	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"400997"	663.459418	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"764180"	983.694518	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1612278"	343.224318	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"316846"	332.233347	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"713643"	492.350897	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1467465"	172.115797	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1056335"	115.079623333333	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1260203"	353.268586	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"378044"	679.433358	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"741228"	999.668458	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1546199"	359.198258	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"302281"	340.220317	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"695796"	500.337867	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1452895"	180.102767	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"241496"	682.504026	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1212018"	362.268926	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1199184"	181.638101	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"193147"	685.44136	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"631248"	1005.67646	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1137308"	365.20626	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"178417"	343.224318	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"617975"	503.341868	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1123667"	183.106768	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1410107"	122.406937333333	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1433841"	367.247846	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"230095"	348.25734	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1519619"	381.29989	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"415660"	351.211288	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"773374"	511.328838	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1672988"	191.093738	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"257324"	704.485968	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1231123"	384.250868	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1718919"	384.274393	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1182086"	129.734251333333	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1652343"	389.229788	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"161023"	717.38924	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"601684"	1037.62434	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1087287"	397.15414	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"149577"	359.198258	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"590227"	519.315808	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1080210"	199.080708	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1110138"	399.168692	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1349806"	399.256307	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1019305"	403.295476	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1535367"	404.289108	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"1004975"	202.151376	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1600693"	405.203728	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1428540"	435.235238	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1157735"	222.664651	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1710566"	452.261785	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1644029"	457.21718	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1573118"	473.19112	"C15035"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"804579"	302.2246	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M"	0
"975920"	283.20621	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"64163"	200.475790666667	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"511383"	301.217324	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"881530"	99.7342573333333	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"1562"	301.217324	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"446231"	452.329624	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"821845"	150.105024	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"87304"	603.441924	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"524684"	905.666524	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"899205"	301.217324	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"51385"	620.468471	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"490950"	922.693071	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"868384"	318.243871	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"34828"	625.423866	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"483868"	927.648466	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"850739"	323.199266	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1625738"	323.199266	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"103360"	319.205663	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"538547"	470.317963	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"930972"	168.093363	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"271716"	639.418602	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"669606"	941.643202	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1280917"	337.194002	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"29311"	641.397806	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"467774"	943.622406	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"847660"	339.173206	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1569932"	339.173206	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"956963"	347.222794	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"376639"	649.447401	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"359548"	663.463051	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1500961"	361.238451	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"969596"	369.204751	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"120326"	337.194002	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"558060"	488.306302	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1029775"	186.081702	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1250810"	381.143485	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1311071"	383.199472	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1324559"	405.181429	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"918533"	415.210186	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1296334"	451.186864	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1370122"	267.211924	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1389813"	285.2219	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"298532"	605.456476	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"690558"	907.681076	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1366909"	303.231876	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"136631"	303.231876	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"580201"	454.344176	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1043896"	152.119576	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"209607"	202.490342666667	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"650267"	303.231876	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1169483"	101.748809333333	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"430569"	622.483023	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"795951"	924.707623	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1693374"	320.258423	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"340559"	311.7451495	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"730795"	462.8574495	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1486802"	160.6328495	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"403293"	627.438418	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"766476"	929.663018	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1613480"	325.213818	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"318051"	314.222847	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"712660"	465.335147	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1468668"	163.110547	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1056446"	109.076123333333	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1259219"	335.258086	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"381074"	643.412358	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"740610"	945.636958	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1545215"	341.187758	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"302391"	322.209817	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"694812"	473.322117	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1453006"	171.097517	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"242700"	646.483026	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1215409"	344.258426	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1201480"	172.632851	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"195444"	649.42036	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"630994"	951.64496	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1134138"	347.19576	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"184722"	325.213818	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"625740"	476.326118	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1121590"	174.101518	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1408394"	116.403437333333	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1436138"	349.237346	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"223644"	330.24684	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1516083"	363.28939	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"414677"	333.200788	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"774577"	484.313088	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1673098"	182.088488	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"255247"	668.464968	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1230869"	366.240368	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1717936"	366.263893	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1182196"	123.730751333333	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1653182"	371.219288	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"161133"	681.36824	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"602887"	983.59284	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1087397"	379.14364	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"150780"	341.187758	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"590337"	492.300058	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1079227"	190.075458	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1110248"	381.158192	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1347728"	381.245807	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1016257"	385.284976	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1532195"	386.278608	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"996457"	193.146126	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1600802"	387.193228	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1427557"	417.224738	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1157844"	213.659401	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1705207"	434.251285	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1640859"	439.20668	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1573228"	455.18062	"C15036"	"2alpha-Methyl-5alpha-androstane-317-dione"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"803596"	423.1583	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M"	0
"974572"	404.13991	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-H2O-H"	-19.01839
"64273"	281.098257333333	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M-3H"	-3.021828
"510400"	422.151024	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M-3H"	-3.021828
"881640"	140.045490666667	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-3H"	-3.021828
"1306"	422.151024	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M-2H"	-2.014552
"448528"	633.730174	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M-2H"	-2.014552
"823048"	210.571874	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-2H"	-2.014552
"87414"	845.309324	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M-H"	-1.007276
"519203"	1268.467624	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M-H"	-1.007276
"898222"	422.151024	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-H"	-1.007276
"48943"	862.335871	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M-2H+NH4"	16.019271
"491060"	1285.494171	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M-2H+NH4"	16.019271
"868129"	439.177571	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-2H+NH4"	16.019271
"33357"	867.291266	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M-2H+Na"	20.974666
"480698"	1290.449566	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M-2H+Na"	20.974666
"849145"	444.132966	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-2H+Na"	20.974666
"1621473"	444.132966	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Na-2H"	20.974666
"104562"	440.139363	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M-H+Cl"	33.962126
"537564"	651.718513	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M-H+Cl"	33.962126
"927915"	228.560213	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-H+Cl"	33.962126
"269639"	881.286002	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+Cl"	34.969402
"665341"	1304.444302	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+Cl"	34.969402
"1279934"	458.127702	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Cl"	34.969402
"30837"	883.265206	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M-2H+K"	36.948606
"468612"	1306.423506	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M-2H+K"	36.948606
"846797"	460.106906	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-2H+K"	36.948606
"1569919"	460.106906	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+K-2H"	36.948606
"956708"	468.156494	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-H+HCOOH"	44.998194
"375654"	891.314801	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+HCOOH-H"	44.998201
"360508"	905.330451	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+Hac-H"	59.013851
"1502894"	482.172151	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Hac-H"	59.013851
"969342"	490.138451	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-H+NaCOOH"	66.980151
"119707"	458.127702	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+2Cl"	69.938804
"557077"	669.706852	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+2Cl"	69.938804
"1030248"	246.548552	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2Cl"	69.938804
"1251649"	502.077185	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Br"	78.918885
"1310088"	504.133172	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Cl+HCOOH"	80.974872
"1326490"	526.115129	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Cl+NaCOOH"	102.956829
"917551"	536.143886	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M-H+CF3COOH"	112.985586
"1295352"	572.120564	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Cl+CF3COOH"	148.962264
"1371326"	388.145624	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H-2H2O"	-35.012676
"1388830"	406.1556	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H-H2O"	-17.0027
"298337"	847.323876	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+H"	1.007276
"691282"	1270.482176	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+H"	1.007276
"1366042"	424.165576	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H"	1.007276
"136741"	424.165576	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+2H"	2.014552
"576302"	635.744726	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+2H"	2.014552
"1042913"	212.586426	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2H"	2.014552
"208624"	283.112809333333	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+3H"	3.021828
"650377"	424.165576	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+3H"	3.021828
"1168500"	142.060042666667	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+3H"	3.021828
"428493"	864.350423	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+NH4"	18.033823
"793875"	1287.508723	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+NH4"	18.033823
"1689112"	441.192123	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+NH4"	18.033823
"335204"	432.6788495	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+H+NH4"	19.041099
"730538"	644.2579995	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+H+NH4"	19.041099
"1486911"	221.0996995	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H+NH4"	19.041099
"402310"	869.305818	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+Na"	22.989218
"763306"	1292.464118	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+Na"	22.989218
"1613592"	446.147518	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Na"	22.989218
"318162"	435.156547	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+H+Na"	23.996494
"710582"	646.735697	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+H+Na"	23.996494
"1464403"	223.577397	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H+Na"	23.996494
"1054732"	149.387356666667	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2H+Na"	25.00377
"1258962"	456.191786	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+CH3OH+H"	33.033486
"380818"	885.279758	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+K"	38.963158
"740354"	1308.438058	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+K"	38.963158
"1542044"	462.121458	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+K"	38.963158
"305780"	443.143517	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+H+K"	39.970434
"698202"	654.722667	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+H+K"	39.970434
"1453117"	231.564367	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H+K"	39.970434
"241717"	888.350426	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+ACN+H"	42.033826
"1212361"	465.192126	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+ACN+H"	42.033826
"1198311"	233.099701	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+ACN+2H"	43.041102
"191181"	891.28776	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+2Na-H"	44.97116
"630010"	1314.44606	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+2Na-H"	44.97116
"1134248"	468.12946	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2Na-H"	44.97116
"184102"	446.147518	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+2Na"	45.978436
"625848"	657.726668	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+2Na"	45.978436
"1126074"	234.568368	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2Na"	45.978436
"1409597"	156.714670666667	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H+2Na"	46.985712
"1438434"	470.171046	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H+HCOOH"	47.012746
"221565"	451.18054	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+3H2O+2H"	56.04448
"1512912"	484.22309	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+IsoProp+H"	61.06479
"414787"	454.134488	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+Na+K"	61.952376
"772136"	665.713638	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+Na+K"	61.952376
"1673208"	242.555338	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Na+K"	61.952376
"255357"	910.332368	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+ACN+Na"	64.015768
"1230978"	487.174068	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+ACN+Na"	64.015768
"1719139"	487.197593	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+NH4+HCOOH"	64.039293
"1183399"	164.041984666667	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+3Na"	68.967654
"1653292"	492.152988	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Na+HCOOH"	68.994688
"161607"	923.23564	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+2K-H"	76.91904
"601904"	1346.39394	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+2K-H"	76.91904
"1087507"	500.07734	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2K-H"	76.91904
"150890"	462.121458	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"2M+2K"	77.926316
"590447"	673.700608	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"3M+2K"	77.926316
"1079337"	250.542308	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2K"	77.926316
"1111451"	502.091892	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2K+H"	78.933592
"1344558"	502.179507	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+DMSO+H"	79.021207
"1016367"	506.218676	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2ACN+H"	83.060376
"1532305"	507.212308	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+IsoProp+Na+H"	84.054008
"996567"	253.612976	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+2ACN+2H"	84.067652
"1600912"	508.126928	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+K+HCOOH"	84.968628
"1427667"	538.158438	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+H+CF3COOH"	115.000138
"1157954"	274.126251	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+3ACN+2H"	125.094202
"1705317"	555.184985	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+NH4+CF3COOH"	132.026685
"1640969"	560.14038	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+Na+CF3COOH"	136.98208
"1573338"	576.11432	"C15037"	"Oplophorus luciferin;8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-12apyrazin-3(7H)-one;Coelenterazine"	"C26H21N3O3"	"423.1583"	"M+K+CF3COOH"	152.95602
"803706"	411.1583	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M"	0
"975775"	392.13991	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-H2O-H"	-19.01839
"64747"	273.098257333333	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M-3H"	-3.021828
"510510"	410.151024	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M-3H"	-3.021828
"881750"	136.045490666667	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-3H"	-3.021828
"2510"	410.151024	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M-2H"	-2.014552
"448638"	615.730174	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M-2H"	-2.014552
"820971"	204.571874	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-2H"	-2.014552
"90440"	821.309324	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M-H"	-1.007276
"518743"	1232.467624	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M-H"	-1.007276
"898332"	410.151024	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-H"	-1.007276
"48690"	838.335871	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M-2H+NH4"	16.019271
"490075"	1249.494171	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M-2H+NH4"	16.019271
"867875"	427.177571	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-2H+NH4"	16.019271
"32862"	843.291266	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M-2H+Na"	20.974666
"480808"	1254.449566	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M-2H+Na"	20.974666
"848565"	432.132966	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-2H+Na"	20.974666
"1623769"	432.132966	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Na-2H"	20.974666
"109047"	428.139363	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M-H+Cl"	33.962126
"539861"	633.718513	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M-H+Cl"	33.962126
"927218"	222.560213	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-H+Cl"	33.962126
"267353"	857.286002	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+Cl"	34.969402
"660586"	1268.444302	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+Cl"	34.969402
"1280044"	446.127702	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Cl"	34.969402
"29528"	859.265206	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M-2H+K"	36.948606
"468722"	1270.423506	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M-2H+K"	36.948606
"847265"	448.106906	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-2H+K"	36.948606
"1570024"	448.106906	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+K-2H"	36.948606
"958235"	456.156494	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-H+HCOOH"	44.998194
"377090"	867.314801	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+HCOOH-H"	44.998201
"361368"	881.330451	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+Hac-H"	59.013851
"1503004"	470.172151	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Hac-H"	59.013851
"969088"	478.138451	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-H+NaCOOH"	66.980151
"118724"	446.127702	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+2Cl"	69.938804
"555365"	651.706852	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+2Cl"	69.938804
"1028536"	240.548552	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2Cl"	69.938804
"1249937"	490.077185	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Br"	78.918885
"1310197"	492.133172	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Cl+HCOOH"	80.974872
"1326601"	514.115129	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Cl+NaCOOH"	102.956829
"916203"	524.143886	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M-H+CF3COOH"	112.985586
"1298743"	560.120564	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Cl+CF3COOH"	148.962264
"1373623"	376.145624	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H-2H2O"	-35.012676
"1387847"	394.1556	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H-H2O"	-17.0027
"297380"	823.323876	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+H"	1.007276
"691370"	1234.482176	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+H"	1.007276
"1364695"	412.165576	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H"	1.007276
"134665"	412.165576	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+2H"	2.014552
"568757"	617.744726	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+2H"	2.014552
"1039743"	206.586426	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2H"	2.014552
"207640"	275.112809333333	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+3H"	3.021828
"650487"	412.165576	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+3H"	3.021828
"1163140"	138.060042666667	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+3H"	3.021828
"427510"	840.350423	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+NH4"	18.033823
"796172"	1251.508723	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+NH4"	18.033823
"1691408"	429.192123	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+NH4"	18.033823
"338595"	420.6788495	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+H+NH4"	19.041099
"729921"	626.2579995	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+H+NH4"	19.041099
"1484834"	215.0996995	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H+NH4"	19.041099
"402420"	845.305818	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+Na"	22.989218
"765603"	1256.464118	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+Na"	22.989218
"1616981"	434.147518	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Na"	22.989218
"323739"	423.156547	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+H+Na"	23.996494
"715068"	628.735697	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+H+Na"	23.996494
"1465608"	217.577397	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H+Na"	23.996494
"1056667"	145.387356666667	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2H+Na"	25.00377
"1259072"	444.191786	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+CH3OH+H"	33.033486
"382387"	861.279758	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+K"	38.963158
"743381"	1272.438058	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+K"	38.963158
"1546528"	450.121458	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+K"	38.963158
"308075"	431.143517	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+H+K"	39.970434
"698313"	636.722667	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+H+K"	39.970434
"1448851"	225.564367	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H+K"	39.970434
"240733"	864.350426	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+ACN+H"	42.033826
"1211254"	453.192126	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+ACN+H"	42.033826
"1195625"	227.099701	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+ACN+2H"	43.041102
"189830"	867.28776	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+2Na-H"	44.97116
"629385"	1278.44606	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+2Na-H"	44.97116
"1132039"	456.12946	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2Na-H"	44.97116
"180932"	434.147518	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+2Na"	45.978436
"623772"	639.726668	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+2Na"	45.978436
"1122904"	228.568368	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2Na"	45.978436
"1408613"	152.714670666667	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H+2Na"	46.985712
"1433441"	458.171046	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H+HCOOH"	47.012746
"223865"	439.18054	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+3H2O+2H"	56.04448
"1509372"	472.22309	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+IsoProp+H"	61.06479
"410156"	442.134488	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+Na+K"	61.952376
"770787"	647.713638	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+Na+K"	61.952376
"1668942"	236.555338	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Na+K"	61.952376
"258747"	886.332368	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+ACN+Na"	64.015768
"1226349"	475.174068	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+ACN+Na"	64.015768
"1718155"	475.197593	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+NH4+HCOOH"	64.039293
"1180593"	160.041984666667	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+3Na"	68.967654
"1650851"	480.152988	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Na+HCOOH"	68.994688
"157583"	899.23564	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+2K-H"	76.91904
"599827"	1310.39394	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+2K-H"	76.91904
"1086524"	488.07734	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2K-H"	76.91904
"148813"	450.121458	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"2M+2K"	77.926316
"590557"	655.700608	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"3M+2K"	77.926316
"1080540"	244.542308	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2K"	77.926316
"1111561"	490.091892	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2K+H"	78.933592
"1344668"	490.179507	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+DMSO+H"	79.021207
"1015383"	494.218676	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2ACN+H"	83.060376
"1531322"	495.212308	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+IsoProp+Na+H"	84.054008
"996677"	247.612976	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+2ACN+2H"	84.067652
"1600658"	496.126928	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+K+HCOOH"	84.968628
"1428870"	526.158438	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+H+CF3COOH"	115.000138
"1158064"	268.126251	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+3ACN+2H"	125.094202
"1705427"	543.184985	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+NH4+CF3COOH"	132.026685
"1641079"	548.14038	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+Na+CF3COOH"	136.98208
"1573448"	564.11432	"C15038"	"Oxidized Oplophorus luciferin;Coelenteramide"	"C25H21N3O3"	"411.1583"	"M+K+CF3COOH"	152.95602
"803816"	250.1106	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M"	0
"976249"	231.09221	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-H2O-H"	-19.01839
"65951"	165.733124	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M-3H"	-3.021828
"510620"	249.103324	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M-3H"	-3.021828
"884047"	82.362924	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-3H"	-3.021828
"5900"	249.103324	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M-2H"	-2.014552
"446561"	374.158624	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M-2H"	-2.014552
"821081"	124.048024	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-2H"	-2.014552
"90914"	499.213924	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M-H"	-1.007276
"518683"	749.324524	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M-H"	-1.007276
"895881"	249.103324	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-H"	-1.007276
"47948"	516.240471	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M-2H+NH4"	16.019271
"488726"	766.351071	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M-2H+NH4"	16.019271
"866163"	266.129871	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-2H+NH4"	16.019271
"34795"	521.195866	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M-2H+Na"	20.974666
"471724"	771.306466	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M-2H+Na"	20.974666
"852159"	271.085266	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-2H+Na"	20.974666
"1620600"	271.085266	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Na-2H"	20.974666
"104782"	267.091663	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M-H+Cl"	33.962126
"534867"	392.146963	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M-H+Cl"	33.962126
"927240"	142.036363	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-H+Cl"	33.962126
"267787"	535.190602	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+Cl"	34.969402
"660578"	785.301202	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+Cl"	34.969402
"1277967"	285.080002	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Cl"	34.969402
"30937"	537.169806	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M-2H+K"	36.948606
"468470"	787.280406	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M-2H+K"	36.948606
"847739"	287.059206	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-2H+K"	36.948606
"1570985"	287.059206	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+K-2H"	36.948606
"958388"	295.108794	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-H+HCOOH"	44.998194
"375623"	545.219401	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+HCOOH-H"	44.998201
"357929"	559.235051	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+Hac-H"	59.013851
"1504570"	309.124451	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Hac-H"	59.013851
"969926"	317.090751	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-H+NaCOOH"	66.980151
"118833"	285.080002	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+2Cl"	69.938804
"558390"	410.135302	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+2Cl"	69.938804
"1029375"	160.024702	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2Cl"	69.938804
"1250047"	329.029485	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Br"	78.918885
"1309214"	331.085472	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Cl+HCOOH"	80.974872
"1325620"	353.067429	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Cl+NaCOOH"	102.956829
"917771"	363.096186	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M-H+CF3COOH"	112.985586
"1301040"	399.072864	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Cl+CF3COOH"	148.962264
"1378107"	215.097924	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H-2H2O"	-35.012676
"1389050"	233.1079	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H-H2O"	-17.0027
"295301"	501.228476	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+H"	1.007276
"691097"	751.339076	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+H"	1.007276
"1365169"	251.117876	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H"	1.007276
"134775"	251.117876	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+2H"	2.014552
"571054"	376.173176	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+2H"	2.014552
"1043133"	126.062576	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2H"	2.014552
"209938"	167.747676	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+3H"	3.021828
"650597"	251.117876	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+3H"	3.021828
"1165440"	84.377476	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+3H"	3.021828
"427620"	518.255023	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+NH4"	18.033823
"797375"	768.365623	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+NH4"	18.033823
"1689330"	268.144423	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+NH4"	18.033823
"337610"	259.6311495	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+H+NH4"	19.041099
"730758"	384.6864495	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+H+NH4"	19.041099
"1483849"	134.5758495	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H+NH4"	19.041099
"399250"	523.210418	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+Na"	22.989218
"765712"	773.321018	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+Na"	22.989218
"1615997"	273.099818	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Na"	22.989218
"323847"	262.108847	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+H+Na"	23.996494
"714083"	387.164147	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+H+Na"	23.996494
"1465718"	137.053547	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H+Na"	23.996494
"1055683"	91.70479	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2H+Na"	25.00377
"1259913"	283.144086	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+CH3OH+H"	33.033486
"377999"	539.184358	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+K"	38.963158
"740575"	789.294958	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+K"	38.963158
"1544449"	289.073758	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+K"	38.963158
"304905"	270.095817	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+H+K"	39.970434
"697326"	395.151117	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+H+K"	39.970434
"1448230"	145.040517	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H+K"	39.970434
"236826"	542.255026	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+ACN+H"	42.033826
"1210267"	292.144426	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+ACN+H"	42.033826
"1196343"	146.575851	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+ACN+2H"	43.041102
"188927"	545.19236	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+2Na-H"	44.97116
"628887"	795.30296	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+2Na-H"	44.97116
"1132028"	295.08176	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2Na-H"	44.97116
"178855"	273.099818	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+2Na"	45.978436
"621695"	398.155118	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+2Na"	45.978436
"1123014"	148.044518	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2Na"	45.978436
"1410911"	99.032104	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H+2Na"	46.985712
"1438652"	297.123346	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H+HCOOH"	47.012746
"226160"	278.13284	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+3H2O+2H"	56.04448
"1509969"	311.17539	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+IsoProp+H"	61.06479
"410629"	281.086788	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+Na+K"	61.952376
"770209"	406.142088	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+Na+K"	61.952376
"1668688"	156.031488	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Na+K"	61.952376
"261043"	564.236968	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+ACN+Na"	64.015768
"1229011"	314.126368	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+ACN+Na"	64.015768
"1718265"	314.149893	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+NH4+HCOOH"	64.039293
"1179604"	106.359418	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+3Na"	68.967654
"1650711"	319.105288	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Na+HCOOH"	68.994688
"158546"	577.14024	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+2K-H"	76.91904
"598842"	827.25084	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+2K-H"	76.91904
"1086268"	327.02964	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2K-H"	76.91904
"147829"	289.073758	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"2M+2K"	77.926316
"588481"	414.129058	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"3M+2K"	77.926316
"1072995"	164.018458	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2K"	77.926316
"1108391"	329.044192	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2K+H"	78.933592
"1345871"	329.131807	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+DMSO+H"	79.021207
"1015493"	333.170976	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2ACN+H"	83.060376
"1529245"	334.164608	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+IsoProp+Na+H"	84.054008
"996787"	167.089126	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+2ACN+2H"	84.067652
"1599675"	335.079228	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+K+HCOOH"	84.968628
"1428859"	365.110738	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+H+CF3COOH"	115.000138
"1157081"	187.602401	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+3ACN+2H"	125.094202
"1702257"	382.137285	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+NH4+CF3COOH"	132.026685
"1641189"	387.09268	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+Na+CF3COOH"	136.98208
"1573558"	403.06662	"C15039"	"3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile"	"C16H14N2O"	"250.1106"	"M+K+CF3COOH"	152.95602
"805019"	293.1164	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M"	0
"975631"	274.09801	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-H2O-H"	-19.01839
"66788"	194.403657333333	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M-3H"	-3.021828
"505626"	292.109124	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M-3H"	-3.021828
"884157"	96.6981906666667	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-3H"	-3.021828
"8202"	292.109124	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M-2H"	-2.014552
"448858"	438.667324	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M-2H"	-2.014552
"821194"	145.550924	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-2H"	-2.014552
"84465"	585.225524	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M-H"	-1.007276
"519401"	878.341924	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M-H"	-1.007276
"896356"	292.109124	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-H"	-1.007276
"47943"	602.252071	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M-2H+NH4"	16.019271
"490294"	895.368471	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M-2H+NH4"	16.019271
"865299"	309.135671	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-2H+NH4"	16.019271
"37093"	607.207466	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M-2H+Na"	20.974666
"479933"	900.323866	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M-2H+Na"	20.974666
"855549"	314.091066	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-2H+Na"	20.974666
"1622897"	314.091066	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Na-2H"	20.974666
"101612"	310.097463	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M-H+Cl"	33.962126
"538986"	456.655663	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M-H+Cl"	33.962126
"927884"	163.539263	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-H+Cl"	33.962126
"268262"	621.202202	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+Cl"	34.969402
"661052"	914.318602	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+Cl"	34.969402
"1282086"	328.085802	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Cl"	34.969402
"30602"	623.181406	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M-2H+K"	36.948606
"469309"	916.297806	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M-2H+K"	36.948606
"847121"	330.065006	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-2H+K"	36.948606
"1569878"	330.065006	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+K-2H"	36.948606
"957280"	338.114594	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-H+HCOOH"	44.998194
"374517"	631.231001	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+HCOOH-H"	44.998201
"357675"	645.246651	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+Hac-H"	59.013851
"1504680"	352.130251	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Hac-H"	59.013851
"966756"	360.096551	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-H+NaCOOH"	66.980151
"123684"	328.085802	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+2Cl"	69.938804
"556314"	474.644002	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+2Cl"	69.938804
"1027664"	181.527602	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2Cl"	69.938804
"1247969"	372.035285	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Br"	78.918885
"1311512"	374.091272	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Cl+HCOOH"	80.974872
"1326824"	396.073229	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Cl+NaCOOH"	102.956829
"917152"	406.101986	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M-H+CF3COOH"	112.985586
"1296776"	442.078664	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Cl+CF3COOH"	148.962264
"1376030"	258.103724	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H-2H2O"	-35.012676
"1388067"	276.1137	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H-H2O"	-17.0027
"287752"	587.240076	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+H"	1.007276
"690880"	880.356476	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+H"	1.007276
"1366495"	294.123676	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H"	1.007276
"134885"	294.123676	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+2H"	2.014552
"577362"	440.681876	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+2H"	2.014552
"1044338"	147.565476	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2H"	2.014552
"211142"	196.418209333333	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+3H"	3.021828
"648519"	294.123676	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+3H"	3.021828
"1166642"	98.7127426666667	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+3H"	3.021828
"426637"	604.266623	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+NH4"	18.033823
"796392"	897.383023	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+NH4"	18.033823
"1692720"	311.150223	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+NH4"	18.033823
"336627"	302.6369495	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+H+NH4"	19.041099
"730140"	449.1951495	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+H+NH4"	19.041099
"1483594"	156.0787495	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H+NH4"	19.041099
"399722"	609.222018	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+Na"	22.989218
"763634"	902.338418	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+Na"	22.989218
"1615014"	316.105618	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Na"	22.989218
"321770"	305.114647	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+H+Na"	23.996494
"716379"	451.672847	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+H+Na"	23.996494
"1465097"	158.556447	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H+Na"	23.996494
"1054332"	106.040056666667	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2H+Na"	25.00377
"1260022"	326.149886	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+CH3OH+H"	33.033486
"379324"	625.195958	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+K"	38.963158
"741414"	918.312358	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+K"	38.963158
"1544561"	332.079558	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+K"	38.963158
"302828"	313.101617	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+H+K"	39.970434
"696342"	459.659817	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+H+K"	39.970434
"1448340"	166.543417	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H+K"	39.970434
"237300"	628.266626	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+ACN+H"	42.033826
"1211101"	335.150226	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+ACN+H"	42.033826
"1196817"	168.078751	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+ACN+2H"	43.041102
"188794"	631.20396	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+2Na-H"	44.97116
"631072"	924.32036	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+2Na-H"	44.97116
"1131777"	338.08756	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2Na-H"	44.97116
"174101"	316.105618	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+2Na"	45.978436
"617431"	462.663818	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+2Na"	45.978436
"1122030"	169.547418	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2Na"	45.978436
"1409927"	113.367370666667	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H+2Na"	46.985712
"1436574"	340.129146	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H+HCOOH"	47.012746
"224084"	321.13864	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+3H2O+2H"	56.04448
"1509958"	354.18119	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+IsoProp+H"	61.06479
"410739"	324.092588	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+Na+K"	61.952376
"770156"	470.650788	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+Na+K"	61.952376
"1665607"	177.534388	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Na+K"	61.952376
"257873"	650.248568	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+ACN+Na"	64.015768
"1228393"	357.132168	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+ACN+Na"	64.015768
"1719468"	357.155693	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+NH4+HCOOH"	64.039293
"1178536"	120.694684666667	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+3Na"	68.967654
"1650134"	362.111088	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Na+HCOOH"	68.994688
"157359"	663.15184	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+2K-H"	76.91904
"600409"	956.26824	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+2K-H"	76.91904
"1087108"	370.03544	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2K-H"	76.91904
"147939"	332.079558	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"2M+2K"	77.926316
"588591"	478.637758	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"3M+2K"	77.926316
"1073105"	185.521358	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2K"	77.926316
"1108501"	372.049992	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2K+H"	78.933592
"1339421"	372.137607	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+DMSO+H"	79.021207
"1011230"	376.176776	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2ACN+H"	83.060376
"1529355"	377.170408	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+IsoProp+Na+H"	84.054008
"990698"	188.592026	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+2ACN+2H"	84.067652
"1594681"	378.085028	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+K+HCOOH"	84.968628
"1423623"	408.116538	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+H+CF3COOH"	115.000138
"1157191"	209.105301	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+3ACN+2H"	125.094202
"1707833"	425.143085	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+NH4+CF3COOH"	132.026685
"1634737"	430.09848	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+Na+CF3COOH"	136.98208
"1572574"	446.07242	"C15040"	"GYKI 52466;4-(8-Methyl-9H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H15N3O2"	"293.1164"	"M+K+CF3COOH"	152.95602
"812786"	320.2351	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M"	0
"985227"	301.21671	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"74562"	212.482790666667	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"507559"	319.227824	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"888645"	105.737757333333	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"11593"	319.227824	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"440830"	479.345374	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"819119"	159.110274	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"83483"	639.462924	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"521949"	959.698024	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"899751"	319.227824	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"47681"	656.489471	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"487972"	976.724571	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"869305"	336.254371	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"34046"	661.444866	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"483328"	981.679966	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"852383"	341.209766	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1620823"	341.209766	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"98444"	337.216163	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"536304"	497.333713	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"931523"	177.098613	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"275549"	675.439602	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"668702"	995.674702	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1286210"	355.204502	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"30353"	677.418806	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"471006"	997.653906	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"846869"	357.183706	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1569629"	357.183706	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"957148"	365.233294	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"376455"	685.468401	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"359608"	699.484051	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1505519"	379.248951	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"972336"	387.215251	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"120880"	355.204502	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"559709"	515.322052	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1029600"	195.086952	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1249180"	399.153985	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1316002"	401.209972	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1328028"	423.191929	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"921277"	433.220686	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1296889"	469.197364	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1380524"	285.222424	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1391460"	303.2324	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"292240"	641.477476	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"691107"	961.712576	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1366610"	321.242376	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"140959"	321.242376	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"580026"	481.359926	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1042264"	161.124826	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"211622"	214.497342666667	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"648629"	321.242376	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1175508"	107.752309333333	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"436597"	658.504023	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"799661"	978.739123	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1688457"	338.268923	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"338921"	329.7556495	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"732436"	489.8731995	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1486256"	169.6380995	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"402748"	663.459418	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"761558"	983.694518	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1607473"	343.224318	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"317510"	332.233347	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"711387"	492.350897	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1465570"	172.115797	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1058088"	115.079623333333	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1263048"	353.268586	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"381623"	679.433358	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"743710"	999.668458	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1545764"	359.198258	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"306219"	340.220317	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"696453"	500.337867	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1446627"	180.102767	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"239973"	682.504026	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1213775"	362.268926	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1199847"	181.638101	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"191625"	685.44136	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"633372"	1005.67646	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1135056"	365.20626	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"173722"	343.224318	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"621914"	503.341868	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1119954"	183.106768	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1410768"	122.406937333333	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1437780"	367.247846	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"229662"	348.25734	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1513352"	381.29989	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"419971"	351.211288	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"778413"	511.328838	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1675839"	191.093738	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"255798"	704.485968	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1229601"	384.250868	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1716298"	384.274393	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1187124"	129.734251333333	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1654830"	389.229788	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"161692"	717.38924	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"605627"	1037.62434	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1090140"	397.15414	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"151331"	359.198258	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"585422"	519.315808	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1075405"	199.080708	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1107520"	399.168692	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1340624"	399.256307	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1009154"	403.295476	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1529465"	404.289108	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"994821"	202.151376	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1600260"	405.203728	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1423733"	435.235238	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1155114"	222.664651	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1706852"	452.261785	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1641409"	457.21718	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1578151"	473.19112	"C15041"	"17-Methylandrost-5-ene-3beta11beta17beta-triol"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"807426"	198.0793	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M"	0
"978767"	179.06091	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-H2O-H"	-19.01839
"67011"	131.045590666667	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M-3H"	-3.021828
"512043"	197.072024	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M-3H"	-3.021828
"884377"	65.0191573333333	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-3H"	-3.021828
"2221"	197.072024	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M-2H"	-2.014552
"446895"	296.111674	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M-2H"	-2.014552
"823603"	98.032374	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-2H"	-2.014552
"86873"	395.151324	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M-H"	-1.007276
"519751"	593.230624	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M-H"	-1.007276
"899862"	197.072024	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-H"	-1.007276
"50960"	412.177871	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M-2H+NH4"	16.019271
"494894"	610.257171	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M-2H+NH4"	16.019271
"875612"	214.098571	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-2H+NH4"	16.019271
"38408"	417.133266	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M-2H+Na"	20.974666
"484532"	615.212566	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M-2H+Na"	20.974666
"855773"	219.053966	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-2H+Na"	20.974666
"1626399"	219.053966	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Na-2H"	20.974666
"99648"	215.060363	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M-H+Cl"	33.962126
"537021"	314.100013	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M-H+Cl"	33.962126
"931633"	116.020713	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-H+Cl"	33.962126
"273472"	431.128002	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+Cl"	34.969402
"666988"	629.207302	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+Cl"	34.969402
"1285227"	233.048702	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Cl"	34.969402
"31257"	433.107206	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M-2H+K"	36.948606
"471198"	631.186506	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M-2H+K"	36.948606
"846979"	235.027906	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-2H+K"	36.948606
"1569009"	235.027906	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+K-2H"	36.948606
"956528"	243.077494	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-H+HCOOH"	44.998194
"375470"	441.156801	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+HCOOH-H"	44.998201
"358624"	455.172451	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+Hac-H"	59.013851
"1505629"	257.093151	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Hac-H"	59.013851
"970618"	265.059451	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-H+NaCOOH"	66.980151
"123174"	233.048702	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+2Cl"	69.938804
"557635"	332.088352	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+2Cl"	69.938804
"1025338"	134.009052	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2Cl"	69.938804
"1252572"	276.998185	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Br"	78.918885
"1315019"	279.054172	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Cl+HCOOH"	80.974872
"1328138"	301.036129	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Cl+NaCOOH"	102.956829
"921387"	311.064886	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M-H+CF3COOH"	112.985586
"1296998"	347.041564	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Cl+CF3COOH"	148.962264
"1377354"	163.066624	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H-2H2O"	-35.012676
"1388290"	181.0766	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H-H2O"	-17.0027
"290163"	397.165876	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+H"	1.007276
"677113"	595.245176	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+H"	1.007276
"1364405"	199.086576	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H"	1.007276
"132920"	199.086576	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+2H"	2.014552
"569197"	298.126226	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+2H"	2.014552
"1038721"	100.046926	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2H"	2.014552
"206985"	133.060142666667	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+3H"	3.021828
"645817"	199.086576	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+3H"	3.021828
"1175617"	67.0337093333333	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+3H"	3.021828
"435614"	414.192423	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+NH4"	18.033823
"786645"	612.271723	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+NH4"	18.033823
"1684923"	216.113123	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+NH4"	18.033823
"332108"	207.5998495	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+H+NH4"	19.041099
"729633"	306.6394995	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+H+NH4"	19.041099
"1483087"	108.5601995	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H+NH4"	19.041099
"396300"	419.147818	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+Na"	22.989218
"761668"	617.227118	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+Na"	22.989218
"1610862"	221.068518	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Na"	22.989218
"320902"	210.077547	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+H+Na"	23.996494
"712229"	309.117197	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+H+Na"	23.996494
"1465682"	111.037897	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H+Na"	23.996494
"1058200"	74.3610233333333	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2H+Na"	25.00377
"1260972"	231.112786	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+CH3OH+H"	33.033486
"382828"	435.121758	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+K"	38.963158
"742729"	633.201058	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+K"	38.963158
"1548062"	237.042458	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+K"	38.963158
"302322"	218.064517	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+H+K"	39.970434
"698753"	317.104167	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+H+K"	39.970434
"1452572"	119.024867	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H+K"	39.970434
"244459"	438.192426	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+ACN+H"	42.033826
"1217167"	240.113126	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+ACN+H"	42.033826
"1204332"	120.560201	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+ACN+2H"	43.041102
"198297"	441.12976	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+2Na-H"	44.97116
"636763"	639.20906	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+2Na-H"	44.97116
"1141363"	243.05046	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2Na-H"	44.97116
"175176"	221.068518	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+2Na"	45.978436
"616922"	320.108168	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+2Na"	45.978436
"1122981"	122.028868	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2Na"	45.978436
"1404681"	81.6883373333333	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H+2Na"	46.985712
"1434612"	245.092046	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H+HCOOH"	47.012746
"224308"	226.10154	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+3H2O+2H"	56.04448
"1510912"	259.14409	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+IsoProp+H"	61.06479
"420445"	229.055488	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+Na+K"	61.952376
"780709"	328.095138	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+Na+K"	61.952376
"1671578"	130.015838	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Na+K"	61.952376
"260284"	460.174368	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+ACN+Na"	64.015768
"1232991"	262.095068	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+ACN+Na"	64.015768
"1721881"	262.118593	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+NH4+HCOOH"	64.039293
"1185413"	89.0156513333333	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+3Na"	68.967654
"1653848"	267.073988	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Na+HCOOH"	68.994688
"166179"	473.07764	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+2K-H"	76.91904
"600636"	671.15694	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+2K-H"	76.91904
"1091345"	274.99834	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2K-H"	76.91904
"151441"	237.042458	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"2M+2K"	77.926316
"588814"	336.082108	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"3M+2K"	77.926316
"1072235"	138.002808	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2K"	77.926316
"1107632"	277.012892	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2K+H"	78.933592
"1344016"	277.100507	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+DMSO+H"	79.021207
"1012546"	281.139676	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2ACN+H"	83.060376
"1532858"	282.133308	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+IsoProp+Na+H"	84.054008
"997119"	141.073476	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+2ACN+2H"	84.067652
"1594903"	283.047928	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+K+HCOOH"	84.968628
"1421656"	313.079438	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+H+CF3COOH"	115.000138
"1158506"	161.586751	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+3ACN+2H"	125.094202
"1708785"	330.105985	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+NH4+CF3COOH"	132.026685
"1644799"	335.06138	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+Na+CF3COOH"	136.98208
"1574981"	351.03532	"C15042"	"4-(2-Pyrazinylethenyl)phenol"	"C12H10N2O"	"198.0793"	"M+K+CF3COOH"	152.95602
"807536"	225.1154	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M"	0
"974279"	206.09701	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-H2O-H"	-19.01839
"63840"	149.069657333333	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M-3H"	-3.021828
"507779"	224.108124	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M-3H"	-3.021828
"881207"	74.0311906666667	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-3H"	-3.021828
"627"	224.108124	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M-2H"	-2.014552
"453561"	336.665824	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M-2H"	-2.014552
"821521"	111.550424	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-2H"	-2.014552
"84063"	449.223524	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M-H"	-1.007276
"527639"	674.338924	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M-H"	-1.007276
"898879"	224.108124	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-H"	-1.007276
"51070"	466.250071	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M-2H+NH4"	16.019271
"491724"	691.365471	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M-2H+NH4"	16.019271
"876086"	241.134671	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-2H+NH4"	16.019271
"40708"	471.205466	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M-2H+Na"	20.974666
"484279"	696.320866	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M-2H+Na"	20.974666
"859163"	246.090066	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-2H+Na"	20.974666
"1625416"	246.090066	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Na-2H"	20.974666
"97571"	242.096463	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M-H+Cl"	33.962126
"537132"	354.654163	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M-H+Cl"	33.962126
"937214"	129.538763	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-H+Cl"	33.962126
"277595"	485.200202	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+Cl"	34.969402
"670745"	710.315602	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+Cl"	34.969402
"1288369"	260.084802	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Cl"	34.969402
"31221"	487.179406	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M-2H+K"	36.948606
"471145"	712.294806	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M-2H+K"	36.948606
"847454"	262.064006	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-2H+K"	36.948606
"1569119"	262.064006	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+K-2H"	36.948606
"956637"	270.113594	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-H+HCOOH"	44.998194
"374489"	495.229001	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+HCOOH-H"	44.998201
"358978"	509.244651	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+Hac-H"	59.013851
"1505739"	284.129251	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Hac-H"	59.013851
"972190"	292.095551	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-H+NaCOOH"	66.980151
"124015"	260.084802	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+2Cl"	69.938804
"559931"	372.642502	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+2Cl"	69.938804
"1025448"	147.527102	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2Cl"	69.938804
"1251225"	304.034285	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Br"	78.918885
"1316222"	306.090272	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Cl+HCOOH"	80.974872
"1326061"	328.072229	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Cl+NaCOOH"	102.956829
"921497"	338.100986	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M-H+CF3COOH"	112.985586
"1294922"	374.077664	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Cl+CF3COOH"	148.962264
"1377463"	190.102724	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H-2H2O"	-35.012676
"1385120"	208.1127	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H-H2O"	-17.0027
"286993"	451.238076	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+H"	1.007276
"677223"	676.353476	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+H"	1.007276
"1364515"	226.122676	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H"	1.007276
"133030"	226.122676	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+2H"	2.014552
"569307"	338.680376	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+2H"	2.014552
"1038465"	113.564976	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2H"	2.014552
"204661"	151.084209333333	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+3H"	3.021828
"644589"	226.122676	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+3H"	3.021828
"1173538"	76.0457426666667	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+3H"	3.021828
"437909"	468.264623	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+NH4"	18.033823
"787972"	693.380023	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+NH4"	18.033823
"1688679"	243.149223	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+NH4"	18.033823
"333676"	234.6359495	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+H+NH4"	19.041099
"732659"	347.1936495	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+H+NH4"	19.041099
"1484290"	122.0782495	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H+NH4"	19.041099
"396409"	473.220018	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+Na"	22.989218
"765057"	698.335418	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+Na"	22.989218
"1610972"	248.104618	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Na"	22.989218
"317732"	237.113647	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+H+Na"	23.996494
"709058"	349.671347	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+H+Na"	23.996494
"1463971"	124.555947	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H+Na"	23.996494
"1056122"	83.3730566666667	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2H+Na"	25.00377
"1264362"	258.148886	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+CH3OH+H"	33.033486
"378683"	489.193958	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+K"	38.963158
"741747"	714.309358	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+K"	38.963158
"1547080"	264.078558	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+K"	38.963158
"301704"	245.100617	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+H+K"	39.970434
"697770"	357.658317	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+H+K"	39.970434
"1451590"	132.542917	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H+K"	39.970434
"243473"	492.264626	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+ACN+H"	42.033826
"1218370"	267.149226	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+ACN+H"	42.033826
"1204442"	134.078251	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+ACN+2H"	43.041102
"197313"	495.20196	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+2Na-H"	44.97116
"636873"	720.31736	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+2Na-H"	44.97116
"1144754"	270.08656	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2Na-H"	44.97116
"179295"	248.104618	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+2Na"	45.978436
"619949"	360.662318	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+2Na"	45.978436
"1122363"	135.546918	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2Na"	45.978436
"1404791"	90.7003706666667	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H+2Na"	46.985712
"1436909"	272.128146	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H+HCOOH"	47.012746
"224418"	253.13764	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+3H2O+2H"	56.04448
"1510658"	286.18019	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+IsoProp+H"	61.06479
"420191"	256.091588	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+Na+K"	61.952376
"780819"	368.649288	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+Na+K"	61.952376
"1671687"	143.533888	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Na+K"	61.952376
"261487"	514.246568	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+ACN+Na"	64.015768
"1229821"	289.131168	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+ACN+Na"	64.015768
"1719804"	289.154693	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+NH4+HCOOH"	64.039293
"1188439"	98.0276846666667	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+3Na"	68.967654
"1653958"	294.110088	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Na+HCOOH"	68.994688
"166288"	527.14984	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+2K-H"	76.91904
"602568"	752.26524	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+2K-H"	76.91904
"1093641"	302.03444	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2K-H"	76.91904
"151552"	264.078558	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"2M+2K"	77.926316
"591113"	376.636258	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"3M+2K"	77.926316
"1072345"	151.520858	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2K"	77.926316
"1107742"	304.048992	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2K+H"	78.933592
"1344126"	304.136607	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+DMSO+H"	79.021207
"1012656"	308.175776	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2ACN+H"	83.060376
"1529688"	309.169408	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+IsoProp+Na+H"	84.054008
"995042"	154.591526	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+2ACN+2H"	84.067652
"1593919"	310.084028	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+K+HCOOH"	84.968628
"1419579"	340.115538	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+H+CF3COOH"	115.000138
"1154241"	175.104801	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+3ACN+2H"	125.094202
"1705979"	357.142085	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+NH4+CF3COOH"	132.026685
"1641629"	362.09748	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+Na+CF3COOH"	136.98208
"1572174"	378.07142	"C15043"	"2-2-(4-Pyridinyl)-1-butenylphenol"	"C15H15NO"	"225.1154"	"M+K+CF3COOH"	152.95602
"801597"	269.1416	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M"	0
"974280"	250.12321	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-H2O-H"	-19.01839
"63950"	178.420457333333	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M-3H"	-3.021828
"507889"	268.134324	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M-3H"	-3.021828
"881317"	88.7065906666667	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-3H"	-3.021828
"96"	268.134324	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M-2H"	-2.014552
"453550"	402.705124	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M-2H"	-2.014552
"822724"	133.563524	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-2H"	-2.014552
"81622"	537.275924	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M-H"	-1.007276
"527749"	806.417524	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M-H"	-1.007276
"900084"	268.134324	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-H"	-1.007276
"51180"	554.302471	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M-2H+NH4"	16.019271
"491834"	823.444071	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M-2H+NH4"	16.019271
"875103"	285.160871	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-2H+NH4"	16.019271
"41911"	559.257866	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M-2H+Na"	20.974666
"478193"	828.399466	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M-2H+Na"	20.974666
"855994"	290.116266	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-2H+Na"	20.974666
"1625526"	290.116266	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Na-2H"	20.974666
"99867"	286.122663	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M-H+Cl"	33.962126
"537241"	420.693463	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M-H+Cl"	33.962126
"938417"	151.551863	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-H+Cl"	33.962126
"273693"	573.252602	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+Cl"	34.969402
"671948"	842.394202	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+Cl"	34.969402
"1288090"	304.111002	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Cl"	34.969402
"29829"	575.231806	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M-2H+K"	36.948606
"469389"	844.373406	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M-2H+K"	36.948606
"847198"	306.090206	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-2H+K"	36.948606
"1570324"	306.090206	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+K-2H"	36.948606
"956385"	314.139794	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-H+HCOOH"	44.998194
"374600"	583.281401	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+HCOOH-H"	44.998201
"358481"	597.297051	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+Hac-H"	59.013851
"1505125"	328.155451	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Hac-H"	59.013851
"971571"	336.121751	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-H+NaCOOH"	66.980151
"122666"	304.111002	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+2Cl"	69.938804
"558948"	438.681802	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+2Cl"	69.938804
"1025558"	169.540202	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2Cl"	69.938804
"1251699"	348.060485	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Br"	78.918885
"1315239"	350.116472	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Cl+HCOOH"	80.974872
"1323985"	372.098429	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Cl+NaCOOH"	102.956829
"921607"	382.127186	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M-H+CF3COOH"	112.985586
"1295034"	418.103864	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Cl+CF3COOH"	148.962264
"1377573"	234.128924	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H-2H2O"	-35.012676
"1385594"	252.1389	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H-H2O"	-17.0027
"287103"	539.290476	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+H"	1.007276
"677694"	808.432076	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+H"	1.007276
"1364625"	270.148876	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H"	1.007276
"133140"	270.148876	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+2H"	2.014552
"568688"	404.719676	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+2H"	2.014552
"1037722"	135.578076	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2H"	2.014552
"206115"	180.435009333333	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+3H"	3.021828
"648956"	270.148876	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+3H"	3.021828
"1173648"	90.7211426666667	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+3H"	3.021828
"438019"	556.317023	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+NH4"	18.033823
"789543"	825.458623	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+NH4"	18.033823
"1686967"	287.175423	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+NH4"	18.033823
"332693"	278.6621495	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+H+NH4"	19.041099
"728396"	413.2329495	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+H+NH4"	19.041099
"1489867"	144.0913495	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H+NH4"	19.041099
"401986"	561.272418	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+Na"	22.989218
"764074"	830.414018	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+Na"	22.989218
"1608897"	292.130818	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Na"	22.989218
"314801"	281.139847	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+H+Na"	23.996494
"708071"	415.710647	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+H+Na"	23.996494
"1464083"	146.569047	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H+Na"	23.996494
"1055140"	98.0484566666667	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2H+Na"	25.00377
"1258276"	302.175086	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+CH3OH+H"	33.033486
"377576"	577.246358	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+K"	38.963158
"742950"	846.387958	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+K"	38.963158
"1546097"	308.104758	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+K"	38.963158
"303274"	289.126817	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+H+K"	39.970434
"695693"	423.697617	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+H+K"	39.970434
"1451698"	154.556017	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H+K"	39.970434
"237382"	580.317026	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+ACN+H"	42.033826
"1215198"	311.175426	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+ACN+H"	42.033826
"1194236"	156.091351	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+ACN+2H"	43.041102
"188820"	583.25436	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+2Na-H"	44.97116
"629194"	852.39596	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+2Na-H"	44.97116
"1131503"	314.11276	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2Na-H"	44.97116
"178310"	292.130818	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+2Na"	45.978436
"618235"	426.701618	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+2Na"	45.978436
"1121013"	157.560018	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2Na"	45.978436
"1402348"	105.375770666667	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H+2Na"	46.985712
"1437019"	316.154346	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H+HCOOH"	47.012746
"224892"	297.16384	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+3H2O+2H"	56.04448
"1511496"	330.20639	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+IsoProp+H"	61.06479
"417749"	300.117788	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+Na+K"	61.952376
"780565"	434.688588	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+Na+K"	61.952376
"1672892"	165.546988	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Na+K"	61.952376
"264513"	602.298968	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+ACN+Na"	64.015768
"1236494"	333.157368	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+ACN+Na"	64.015768
"1719916"	333.180893	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+NH4+HCOOH"	64.039293
"1186364"	112.703084666667	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+3Na"	68.967654
"1654433"	338.136288	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Na+HCOOH"	68.994688
"167493"	615.20224	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+2K-H"	76.91904
"607053"	884.34384	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+2K-H"	76.91904
"1097764"	346.06064	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2K-H"	76.91904
"154945"	308.104758	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"2M+2K"	77.926316
"592318"	442.675558	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"3M+2K"	77.926316
"1073548"	173.533958	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2K"	77.926316
"1111132"	348.075192	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2K+H"	78.933592
"1347517"	348.162807	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+DMSO+H"	79.021207
"1014953"	352.201976	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2ACN+H"	83.060376
"1530891"	353.195608	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+IsoProp+Na+H"	84.054008
"996245"	176.604626	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+2ACN+2H"	84.067652
"1592936"	354.110228	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+K+HCOOH"	84.968628
"1419689"	384.141738	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+H+CF3COOH"	115.000138
"1154351"	197.117901	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+3ACN+2H"	125.094202
"1706089"	401.168285	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+NH4+CF3COOH"	132.026685
"1641739"	406.12368	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+Na+CF3COOH"	136.98208
"1572284"	422.09762	"C15044"	"23-Dimethoxy-2-(4-Pyridinyl)-1-butenylphenol;4-1-(23-Dimethoxyphenyl)methylenepropylpyridine"	"C17H19NO2"	"269.1416"	"M+K+CF3COOH"	152.95602
"804476"	243.0815	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M"	0
"974717"	224.06311	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-H2O-H"	-19.01839
"64060"	161.047057333333	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M-3H"	-3.021828
"506907"	242.074224	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M-3H"	-3.021828
"881791"	80.0198906666667	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-3H"	-3.021828
"275"	242.074224	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M-2H"	-2.014552
"449407"	363.614974	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M-2H"	-2.014552
"822834"	120.533474	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-2H"	-2.014552
"81732"	485.155724	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M-H"	-1.007276
"524579"	728.237224	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M-H"	-1.007276
"901289"	242.074224	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-H"	-1.007276
"55661"	502.182271	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M-2H+NH4"	16.019271
"493033"	745.263771	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M-2H+NH4"	16.019271
"871929"	259.100771	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-2H+NH4"	16.019271
"33269"	507.137666	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M-2H+Na"	20.974666
"475015"	750.219166	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M-2H+Na"	20.974666
"857193"	264.056166	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-2H+Na"	20.974666
"1631833"	264.056166	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Na-2H"	20.974666
"107268"	260.062563	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M-H+Cl"	33.962126
"547189"	381.603313	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M-H+Cl"	33.962126
"933053"	138.521813	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-H+Cl"	33.962126
"274532"	521.132402	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+Cl"	34.969402
"669504"	764.213902	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+Cl"	34.969402
"1284463"	278.050902	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Cl"	34.969402
"28847"	523.111606	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M-2H+K"	36.948606
"466219"	766.193106	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M-2H+K"	36.948606
"848160"	280.030106	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-2H+K"	36.948606
"1570068"	280.030106	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+K-2H"	36.948606
"956496"	288.079694	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-H+HCOOH"	44.998194
"374347"	531.161201	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+HCOOH-H"	44.998201
"358959"	545.176851	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+Hac-H"	59.013851
"1503781"	302.095351	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Hac-H"	59.013851
"970227"	310.061651	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-H+NaCOOH"	66.980151
"122048"	278.050902	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+2Cl"	69.938804
"561973"	399.591652	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+2Cl"	69.938804
"1028948"	156.510152	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2Cl"	69.938804
"1250352"	322.000385	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Br"	78.918885
"1316442"	324.056372	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Cl+HCOOH"	80.974872
"1324096"	346.038329	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Cl+NaCOOH"	102.956829
"923904"	356.067086	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M-H+CF3COOH"	112.985586
"1301706"	392.043764	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Cl+CF3COOH"	148.962264
"1377683"	208.068824	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H-2H2O"	-35.012676
"1385340"	226.0788	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H-H2O"	-17.0027
"289400"	487.170276	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+H"	1.007276
"676714"	730.251776	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+H"	1.007276
"1365829"	244.088776	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H"	1.007276
"132157"	244.088776	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+2H"	2.014552
"570621"	365.629526	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+2H"	2.014552
"1037353"	122.548026	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2H"	2.014552
"206225"	163.061609333333	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+3H"	3.021828
"646880"	244.088776	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+3H"	3.021828
"1172665"	82.0344426666667	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+3H"	3.021828
"435942"	504.196823	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+NH4"	18.033823
"788561"	747.278323	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+NH4"	18.033823
"1686713"	261.115323	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+NH4"	18.033823
"333898"	252.6020495	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+H+NH4"	19.041099
"725226"	374.1427995	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+H+NH4"	19.041099
"1487791"	131.0612995	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H+NH4"	19.041099
"396630"	509.152218	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+Na"	22.989218
"765278"	752.233718	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+Na"	22.989218
"1605726"	266.070718	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Na"	22.989218
"314830"	255.079747	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+H+Na"	23.996494
"708186"	376.620497	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+H+Na"	23.996494
"1463101"	133.538997	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H+Na"	23.996494
"1058534"	89.3617566666667	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2H+Na"	25.00377
"1259115"	276.114986	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+CH3OH+H"	33.033486
"377440"	525.126158	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+K"	38.963158
"742330"	768.207658	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+K"	38.963158
"1545114"	282.044658	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+K"	38.963158
"305570"	263.066717	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+H+K"	39.970434
"694710"	384.607467	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+H+K"	39.970434
"1450715"	141.525967	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H+K"	39.970434
"235993"	528.196826	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+ACN+H"	42.033826
"1215308"	285.115326	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+ACN+H"	42.033826
"1194439"	143.061301	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+ACN+2H"	43.041102
"189377"	531.13416	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+2Na-H"	44.97116
"629789"	774.21566	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+2Na-H"	44.97116
"1131557"	288.05266	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2Na-H"	44.97116
"184985"	266.070718	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+2Na"	45.978436
"623087"	387.611468	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+2Na"	45.978436
"1124772"	144.529968	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2Na"	45.978436
"1402096"	96.6890706666667	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H+2Na"	46.985712
"1432390"	290.094246	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H+HCOOH"	47.012746
"223545"	271.10374	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+3H2O+2H"	56.04448
"1510513"	304.14629	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+IsoProp+H"	61.06479
"416766"	274.057688	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+Na+K"	61.952376
"779946"	395.598438	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+Na+K"	61.952376
"1674097"	152.516938	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Na+K"	61.952376
"262801"	550.178768	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+ACN+Na"	64.015768
"1236605"	307.097268	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+ACN+Na"	64.015768
"1720026"	307.120793	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+NH4+HCOOH"	64.039293
"1186474"	104.016384666667	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+3Na"	68.967654
"1657459"	312.076188	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Na+HCOOH"	68.994688
"167602"	563.08204	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+2K-H"	76.91904
"606070"	806.16354	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+2K-H"	76.91904
"1095687"	320.00054	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2K-H"	76.91904
"155056"	282.044658	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"2M+2K"	77.926316
"592427"	403.585408	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"3M+2K"	77.926316
"1071471"	160.503908	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2K"	77.926316
"1111242"	322.015092	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2K+H"	78.933592
"1346899"	322.102707	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+DMSO+H"	79.021207
"1015063"	326.141876	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2ACN+H"	83.060376
"1532094"	327.135508	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+IsoProp+Na+H"	84.054008
"998541"	163.574576	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+2ACN+2H"	84.067652
"1595233"	328.050128	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+K+HCOOH"	84.968628
"1423079"	358.081638	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+H+CF3COOH"	115.000138
"1155555"	184.087851	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+3ACN+2H"	125.094202
"1704012"	375.108185	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+NH4+CF3COOH"	132.026685
"1645129"	380.06358	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+Na+CF3COOH"	136.98208
"1574218"	396.03752	"C15045"	"4-Chloro-2-(4-Pyridinyl)-1-butenylphenol;4-1-(4-Chlorophenyl)methylenepropylpyridine"	"C15H14ClN"	"243.0815"	"M+K+CF3COOH"	152.95602
"804586"	398.2457	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M"	0
"976291"	379.22731	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-H2O-H"	-19.01839
"66355"	264.489857333333	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M-3H"	-3.021828
"508109"	397.238424	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M-3H"	-3.021828
"880800"	131.741290666667	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-3H"	-3.021828
"713"	397.238424	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H"	-2.014552
"449517"	596.361274	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H"	-2.014552
"818202"	198.115574	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H"	-2.014552
"81842"	795.484124	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M-H"	-1.007276
"524689"	1193.729824	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M-H"	-1.007276
"902492"	397.238424	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-H"	-1.007276
"52491"	812.510671	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H+NH4"	16.019271
"493143"	1210.756371	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H+NH4"	16.019271
"867665"	414.264971	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H+NH4"	16.019271
"36659"	817.466066	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H+Na"	20.974666
"475125"	1215.711766	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H+Na"	20.974666
"857303"	419.220366	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H+Na"	20.974666
"1630118"	419.220366	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na-2H"	20.974666
"107743"	415.226763	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M-H+Cl"	33.962126
"546206"	614.349613	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M-H+Cl"	33.962126
"932069"	216.103913	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+Cl"	33.962126
"271718"	831.460802	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Cl"	34.969402
"666327"	1229.706502	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+Cl"	34.969402
"1275450"	433.215102	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl"	34.969402
"28948"	833.440006	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M-2H+K"	36.948606
"470330"	1231.685706	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M-2H+K"	36.948606
"848364"	435.194306	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-2H+K"	36.948606
"1569811"	435.194306	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+K-2H"	36.948606
"957814"	443.243894	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+HCOOH"	44.998194
"374818"	841.489601	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+HCOOH-H"	44.998201
"359431"	855.505251	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Hac-H"	59.013851
"1506806"	457.259551	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Hac-H"	59.013851
"971431"	465.225851	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+NaCOOH"	66.980151
"124952"	433.215102	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2Cl"	69.938804
"564878"	632.337952	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2Cl"	69.938804
"1029058"	234.092252	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2Cl"	69.938804
"1254470"	477.164585	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Br"	78.918885
"1311084"	479.220572	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl+HCOOH"	80.974872
"1325661"	501.202529	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl+NaCOOH"	102.956829
"925107"	511.231286	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M-H+CF3COOH"	112.985586
"1301816"	547.207964	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Cl+CF3COOH"	148.962264
"1377793"	363.233024	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H-2H2O"	-35.012676
"1386178"	381.243	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H-H2O"	-17.0027
"286230"	797.498676	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H"	1.007276
"679375"	1195.744376	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H"	1.007276
"1364846"	399.252976	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H"	1.007276
"136639"	399.252976	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2H"	2.014552
"572917"	598.375826	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2H"	2.014552
"1040621"	200.130126	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2H"	2.014552
"206335"	266.504409333333	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+3H"	3.021828
"649176"	399.252976	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+3H"	3.021828
"1169495"	133.755842666667	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+3H"	3.021828
"434958"	814.525223	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+NH4"	18.033823
"789400"	1212.770923	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+NH4"	18.033823
"1686822"	416.279523	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+NH4"	18.033823
"335099"	407.7662495	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H+NH4"	19.041099
"727520"	606.8890995	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H+NH4"	19.041099
"1486806"	208.6433995	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+NH4"	19.041099
"400020"	819.480618	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Na"	22.989218
"765388"	1217.726318	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+Na"	22.989218
"1605835"	421.234918	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na"	22.989218
"318059"	410.243947	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H+Na"	23.996494
"710846"	609.366797	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H+Na"	23.996494
"1463212"	211.121097	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+Na"	23.996494
"1058644"	141.083156666667	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2H+Na"	25.00377
"1262505"	431.279186	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+CH3OH+H"	33.033486
"381080"	835.454558	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+K"	38.963158
"743170"	1233.700258	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+K"	38.963158
"1548503"	437.208858	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+K"	38.963158
"307866"	418.230917	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+H+K"	39.970434
"699192"	617.353767	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+H+K"	39.970434
"1455198"	219.108067	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+K"	39.970434
"237603"	838.525226	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+ACN+H"	42.033826
"1216510"	440.279526	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+ACN+H"	42.033826
"1194366"	220.643401	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+ACN+2H"	43.041102
"189003"	841.46256	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2Na-H"	44.97116
"629778"	1239.70826	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2Na-H"	44.97116
"1132197"	443.21686	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2Na-H"	44.97116
"180720"	421.234918	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2Na"	45.978436
"622468"	620.357768	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2Na"	45.978436
"1121600"	222.112068	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2Na"	45.978436
"1402934"	148.410470666667	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+2Na"	46.985712
"1437237"	445.258446	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+HCOOH"	47.012746
"220775"	426.26794	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+3H2O+2H"	56.04448
"1512811"	459.31049	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+IsoProp+H"	61.06479
"421249"	429.221888	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+Na+K"	61.952376
"781149"	628.344738	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+Na+K"	61.952376
"1670926"	230.099038	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na+K"	61.952376
"264006"	860.507168	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+ACN+Na"	64.015768
"1235258"	462.261468	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+ACN+Na"	64.015768
"1719043"	462.284993	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+NH4+HCOOH"	64.039293
"1184761"	155.737784666667	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+3Na"	68.967654
"1658662"	467.240388	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na+HCOOH"	68.994688
"165525"	873.41044	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2K-H"	76.91904
"604724"	1271.65614	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2K-H"	76.91904
"1092881"	475.16474	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2K-H"	76.91904
"151522"	437.208858	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"2M+2K"	77.926316
"590717"	636.331708	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"3M+2K"	77.926316
"1070488"	238.086008	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2K"	77.926316
"1110989"	477.179292	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2K+H"	78.933592
"1345917"	477.266907	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+DMSO+H"	79.021207
"1014079"	481.306076	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2ACN+H"	83.060376
"1532204"	482.299708	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+IsoProp+Na+H"	84.054008
"995371"	241.156676	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+2ACN+2H"	84.067652
"1594249"	483.214328	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+K+HCOOH"	84.968628
"1423189"	513.245838	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+H+CF3COOH"	115.000138
"1154571"	261.669951	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+3ACN+2H"	125.094202
"1703027"	530.272385	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+NH4+CF3COOH"	132.026685
"1644146"	535.22778	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+Na+CF3COOH"	136.98208
"1574328"	551.20172	"C15046"	"Pregna-51620-triene-3beta20-diol diacetate"	"C25H34O4"	"398.2457"	"M+K+CF3COOH"	152.95602
"804696"	320.2715	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M"	0
"976037"	301.25311	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H2O-H"	-19.01839
"64400"	212.507057333333	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-3H"	-3.021828
"504210"	319.264224	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-3H"	-3.021828
"879979"	105.749890666667	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-3H"	-3.021828
"1311"	319.264224	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H"	-2.014552
"449627"	479.399974	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H"	-2.014552
"817585"	159.128474	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H"	-2.014552
"81952"	639.535724	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-H"	-1.007276
"524799"	959.807224	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-H"	-1.007276
"899322"	319.264224	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H"	-1.007276
"51508"	656.562271	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+NH4"	16.019271
"492160"	976.833771	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+NH4"	16.019271
"867775"	336.290771	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+NH4"	16.019271
"37862"	661.517666	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+Na"	20.974666
"474142"	981.789166	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+Na"	20.974666
"857413"	341.246166	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+Na"	20.974666
"1629135"	341.246166	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na-2H"	20.974666
"108581"	337.252563	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-H+Cl"	33.962126
"545223"	497.388313	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-H+Cl"	33.962126
"929993"	177.116813	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+Cl"	33.962126
"271828"	675.512402	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Cl"	34.969402
"666437"	995.783902	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Cl"	34.969402
"1276653"	355.240902	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl"	34.969402
"29058"	677.491606	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+K"	36.948606
"470075"	997.763106	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+K"	36.948606
"846063"	357.220106	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+K"	36.948606
"1566634"	357.220106	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K-2H"	36.948606
"946860"	365.269694	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+HCOOH"	44.998194
"368358"	685.541201	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+HCOOH-H"	44.998201
"351147"	699.556851	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Hac-H"	59.013851
"1501073"	379.285351	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Hac-H"	59.013851
"969710"	387.251651	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+NaCOOH"	66.980151
"116427"	355.240902	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Cl"	69.938804
"563648"	515.376652	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Cl"	69.938804
"1029167"	195.105152	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Cl"	69.938804
"1256403"	399.190385	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Br"	78.918885
"1312286"	401.246372	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+HCOOH"	80.974872
"1324314"	423.228329	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+NaCOOH"	102.956829
"923030"	433.257086	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M-H+CF3COOH"	112.985586
"1299739"	469.233764	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+CF3COOH"	148.962264
"1378996"	285.258824	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H-2H2O"	-35.012676
"1388840"	303.2688	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H-H2O"	-17.0027
"289620"	641.550276	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H"	1.007276
"678757"	961.821776	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H"	1.007276
"1362766"	321.278776	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H"	1.007276
"136749"	321.278776	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2H"	2.014552
"573027"	481.414526	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2H"	2.014552
"1040731"	161.143026	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2H"	2.014552
"205714"	214.521609333333	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H"	3.021828
"649286"	321.278776	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+3H"	3.021828
"1171792"	107.764442666667	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3H"	3.021828
"435069"	658.576823	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+NH4"	18.033823
"790601"	978.848323	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+NH4"	18.033823
"1685837"	338.305323	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4"	18.033823
"335209"	329.7920495	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+NH4"	19.041099
"728725"	489.9277995	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+NH4"	19.041099
"1481452"	169.6562995	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+NH4"	19.041099
"399036"	663.532218	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na"	22.989218
"761124"	983.803718	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na"	22.989218
"1608131"	343.260718	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na"	22.989218
"319261"	332.269747	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+Na"	23.996494
"708406"	492.405497	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+Na"	23.996494
"1466598"	172.133997	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+Na"	23.996494
"1055469"	115.091756666667	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2H+Na"	25.00377
"1260428"	353.304986	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+CH3OH+H"	33.033486
"381188"	679.506158	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+K"	38.963158
"742187"	999.777658	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+K"	38.963158
"1546424"	359.234658	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K"	38.963158
"303599"	340.256717	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+K"	39.970434
"694927"	500.392467	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+K"	39.970434
"1450934"	180.120967	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+K"	39.970434
"236250"	682.576826	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+H"	42.033826
"1210168"	362.305326	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+H"	42.033826
"1194255"	181.656301	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+2H"	43.041102
"189034"	685.51416	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na-H"	44.97116
"629399"	1005.78566	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na-H"	44.97116
"1132307"	365.24266	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na-H"	44.97116
"179007"	343.260718	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na"	45.978436
"618931"	503.396468	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na"	45.978436
"1122435"	183.124968	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na"	45.978436
"1403774"	122.419070666667	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+2Na"	46.985712
"1434065"	367.284246	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+HCOOH"	47.012746
"220480"	348.29374	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H2O+2H"	56.04448
"1512192"	381.33629	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+H"	61.06479
"420265"	351.247688	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na+K"	61.952376
"781259"	511.383438	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na+K"	61.952376
"1673222"	191.111938	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+K"	61.952376
"264116"	704.558768	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+Na"	64.015768
"1236462"	384.287268	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+Na"	64.015768
"1721339"	384.310793	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+HCOOH"	64.039293
"1184507"	129.746384666667	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3Na"	68.967654
"1658772"	389.266188	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+HCOOH"	68.994688
"163448"	717.46204	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K-H"	76.91904
"604833"	1037.73354	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K-H"	76.91904
"1094449"	397.19054	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K-H"	76.91904
"151267"	359.234658	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K"	77.926316
"590827"	519.370408	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K"	77.926316
"1070598"	199.098908	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K"	77.926316
"1111463"	399.205092	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2K+H"	78.933592
"1345660"	399.292707	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+DMSO+H"	79.021207
"1013096"	403.331876	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+H"	83.060376
"1533407"	404.325508	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+Na+H"	84.054008
"995481"	202.169576	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+2H"	84.067652
"1594359"	405.240128	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K+HCOOH"	84.968628
"1422205"	435.271638	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+H+CF3COOH"	115.000138
"1155774"	222.682851	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+3ACN+2H"	125.094202
"1703137"	452.298185	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+CF3COOH"	132.026685
"1642069"	457.25358	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+CF3COOH"	136.98208
"1572251"	473.22752	"C15047"	"1117-Dimethyl-5alpha-androstane-11beta17beta-diol"	"C21H36O2"	"320.2715"	"M+K+CF3COOH"	152.95602
"804806"	281.0688	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M"	0
"974460"	262.05041	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-H2O-H"	-19.01839
"65846"	186.371924	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M-3H"	-3.021828
"503712"	280.061524	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M-3H"	-3.021828
"880661"	92.682324	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-3H"	-3.021828
"2514"	280.061524	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M-2H"	-2.014552
"449737"	420.595924	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M-2H"	-2.014552
"817490"	139.527124	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-2H"	-2.014552
"79145"	561.130324	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M-H"	-1.007276
"521629"	842.199124	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M-H"	-1.007276
"901619"	280.061524	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-H"	-1.007276
"50525"	578.156871	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M-2H+NH4"	16.019271
"489111"	859.225671	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M-2H+NH4"	16.019271
"866792"	297.088071	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-2H+NH4"	16.019271
"34692"	583.112266	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M-2H+Na"	20.974666
"472550"	864.181066	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M-2H+Na"	20.974666
"857523"	302.043466	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-2H+Na"	20.974666
"1629245"	302.043466	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Na-2H"	20.974666
"108690"	298.049863	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M-H+Cl"	33.962126
"546426"	438.584263	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M-H+Cl"	33.962126
"935568"	157.515463	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-H+Cl"	33.962126
"271938"	597.107002	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+Cl"	34.969402
"665454"	878.175802	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+Cl"	34.969402
"1276762"	316.038202	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Cl"	34.969402
"29168"	599.086206	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M-2H+K"	36.948606
"462165"	880.155006	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M-2H+K"	36.948606
"845444"	318.017406	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-2H+K"	36.948606
"1563464"	318.017406	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+K-2H"	36.948606
"949158"	326.066994	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-H+HCOOH"	44.998194
"367372"	607.135801	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+HCOOH-H"	44.998201
"352350"	621.151451	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+Hac-H"	59.013851
"1501181"	340.082651	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Hac-H"	59.013851
"967996"	348.048951	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-H+NaCOOH"	66.980151
"116538"	316.038202	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+2Cl"	69.938804
"553911"	456.572602	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+2Cl"	69.938804
"1031825"	175.503802	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2Cl"	69.938804
"1242656"	359.987685	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Br"	78.918885
"1306197"	362.043672	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Cl+HCOOH"	80.974872
"1322236"	384.025629	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Cl+NaCOOH"	102.956829
"915482"	394.054386	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M-H+CF3COOH"	112.985586
"1291096"	430.031064	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Cl+CF3COOH"	148.962264
"1370351"	246.056124	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H-2H2O"	-35.012676
"1387853"	264.0661	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H-H2O"	-17.0027
"287538"	563.144876	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+H"	1.007276
"679960"	844.213676	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+H"	1.007276
"1351936"	282.076076	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H"	1.007276
"126282"	282.076076	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+2H"	2.014552
"565756"	422.610476	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+2H"	2.014552
"1037431"	141.541676	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2H"	2.014552
"204721"	188.386476	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+3H"	3.021828
"644355"	282.076076	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+3H"	3.021828
"1168982"	94.696876	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+3H"	3.021828
"429703"	580.171423	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+NH4"	18.033823
"796173"	861.240223	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+NH4"	18.033823
"1688130"	299.102623	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+NH4"	18.033823
"340419"	290.5893495	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+H+NH4"	19.041099
"731748"	431.1237495	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+H+NH4"	19.041099
"1488118"	150.0549495	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H+NH4"	19.041099
"398051"	585.126818	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+Na"	22.989218
"756858"	866.195618	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+Na"	22.989218
"1609334"	304.058018	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Na"	22.989218
"317185"	293.067047	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+H+Na"	23.996494
"709607"	433.601447	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+H+Na"	23.996494
"1462577"	152.532647	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H+Na"	23.996494
"1056672"	102.02419	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2H+Na"	25.00377
"1259444"	314.102286	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+CH3OH+H"	33.033486
"382392"	601.100758	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+K"	38.963158
"743390"	882.169558	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+K"	38.963158
"1546534"	320.031958	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+K"	38.963158
"301522"	301.054017	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+H+K"	39.970434
"695037"	441.588417	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+H+K"	39.970434
"1449951"	160.519617	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H+K"	39.970434
"236362"	604.171426	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+ACN+H"	42.033826
"1210154"	323.102626	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+ACN+H"	42.033826
"1195264"	162.054951	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+ACN+2H"	43.041102
"189464"	607.10876	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+2Na-H"	44.97116
"628822"	888.17756	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+2Na-H"	44.97116
"1131558"	326.03996	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2Na-H"	44.97116
"173110"	304.058018	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+2Na"	45.978436
"620499"	444.592418	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+2Na"	45.978436
"1125098"	163.523618	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2Na"	45.978436
"1410809"	109.351504	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H+2Na"	46.985712
"1438551"	328.081546	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H+HCOOH"	47.012746
"230433"	309.09104	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+3H2O+2H"	56.04448
"1511938"	342.13359	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+IsoProp+H"	61.06479
"419281"	312.044988	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+Na+K"	61.952376
"775172"	452.579388	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+Na+K"	61.952376
"1676610"	171.510588	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Na+K"	61.952376
"259848"	626.153368	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+ACN+Na"	64.015768
"1227088"	345.084568	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+ACN+Na"	64.015768
"1718168"	345.108093	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+NH4+HCOOH"	64.039293
"1182794"	116.678818	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+3Na"	68.967654
"1657791"	350.063488	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Na+HCOOH"	68.994688
"167934"	639.05664	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+2K-H"	76.91904
"604213"	920.12544	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+2K-H"	76.91904
"1094192"	357.98784	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2K-H"	76.91904
"149916"	320.031958	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"2M+2K"	77.926316
"590570"	460.566358	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"3M+2K"	77.926316
"1071801"	179.497558	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2K"	77.926316
"1112301"	360.002392	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2K+H"	78.933592
"1345042"	360.090007	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+DMSO+H"	79.021207
"1012112"	364.129176	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2ACN+H"	83.060376
"1532423"	365.122808	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+IsoProp+Na+H"	84.054008
"995591"	182.568226	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+2ACN+2H"	84.067652
"1590094"	366.037428	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+K+HCOOH"	84.968628
"1420128"	396.068938	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+H+CF3COOH"	115.000138
"1153696"	203.081501	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+3ACN+2H"	125.094202
"1703247"	413.095485	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+NH4+CF3COOH"	132.026685
"1643271"	418.05088	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+Na+CF3COOH"	136.98208
"1572361"	434.02482	"C15048"	"7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one"	"C16H11NO4"	"281.0688"	"M+K+CF3COOH"	152.95602
"811477"	294.1256	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M"	0
"978448"	275.10721	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-H2O-H"	-19.01839
"65597"	195.076457333333	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M-3H"	-3.021828
"503017"	293.118324	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M-3H"	-3.021828
"880771"	97.0345906666667	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-3H"	-3.021828
"1531"	293.118324	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M-2H"	-2.014552
"446567"	440.181124	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M-2H"	-2.014552
"817395"	146.055524	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-2H"	-2.014552
"81079"	587.243924	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M-H"	-1.007276
"521739"	881.369524	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M-H"	-1.007276
"901729"	293.118324	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-H"	-1.007276
"50635"	604.270471	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M-2H+NH4"	16.019271
"489100"	898.396071	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M-2H+NH4"	16.019271
"866902"	310.144871	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-2H+NH4"	16.019271
"34802"	609.225866	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M-2H+Na"	20.974666
"472417"	903.351466	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M-2H+Na"	20.974666
"856540"	315.100266	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-2H+Na"	20.974666
"1627168"	315.100266	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Na-2H"	20.974666
"106613"	311.106663	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M-H+Cl"	33.962126
"545443"	458.169463	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M-H+Cl"	33.962126
"936772"	164.043863	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-H+Cl"	33.962126
"274236"	623.220602	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+Cl"	34.969402
"666657"	917.346202	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+Cl"	34.969402
"1276875"	329.095002	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Cl"	34.969402
"28185"	625.199806	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M-2H+K"	36.948606
"460088"	919.325406	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M-2H+K"	36.948606
"847377"	331.074206	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-2H+K"	36.948606
"1563574"	331.074206	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+K-2H"	36.948606
"949268"	339.123794	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-H+HCOOH"	44.998194
"367483"	633.249401	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+HCOOH-H"	44.998201
"354647"	647.265051	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+Hac-H"	59.013851
"1500199"	353.139451	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Hac-H"	59.013851
"968834"	361.105751	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-H+NaCOOH"	66.980151
"116648"	329.095002	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+2Cl"	69.938804
"553655"	476.157802	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+2Cl"	69.938804
"1030477"	182.032202	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2Cl"	69.938804
"1242402"	373.044485	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Br"	78.918885
"1305940"	375.100472	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Cl+HCOOH"	80.974872
"1320887"	397.082429	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Cl+NaCOOH"	102.956829
"913404"	407.111186	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M-H+CF3COOH"	112.985586
"1292298"	443.087864	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Cl+CF3COOH"	148.962264
"1369731"	259.112924	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H-2H2O"	-35.012676
"1387963"	277.1229	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H-H2O"	-17.0027
"290929"	589.258476	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+H"	1.007276
"680070"	883.384076	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+H"	1.007276
"1353139"	295.132876	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H"	1.007276
"126391"	295.132876	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+2H"	2.014552
"565986"	442.195676	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+2H"	2.014552
"1037906"	148.070076	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2H"	2.014552
"204749"	197.091009333333	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+3H"	3.021828
"644876"	295.132876	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+3H"	3.021828
"1168728"	99.0491426666667	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+3H"	3.021828
"429813"	606.285023	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+NH4"	18.033823
"797014"	900.410623	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+NH4"	18.033823
"1690427"	312.159423	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+NH4"	18.033823
"339801"	303.6461495	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+H+NH4"	19.041099
"734411"	450.7089495	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+H+NH4"	19.041099
"1489321"	156.5833495	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H+NH4"	19.041099
"402536"	611.240418	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+Na"	22.989218
"758062"	905.366018	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+Na"	22.989218
"1612726"	317.114818	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Na"	22.989218
"320575"	306.123847	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+H+Na"	23.996494
"714090"	453.186647	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+H+Na"	23.996494
"1467912"	159.061047	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H+Na"	23.996494
"1060062"	106.376456666667	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2H+Na"	25.00377
"1260647"	327.159086	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+CH3OH+H"	33.033486
"383595"	627.214358	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+K"	38.963158
"746781"	921.339958	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+K"	38.963158
"1551017"	333.088758	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+K"	38.963158
"298754"	314.110817	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+H+K"	39.970434
"692959"	461.173617	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+H+K"	39.970434
"1445805"	167.048017	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H+K"	39.970434
"235722"	630.285026	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+ACN+H"	42.033826
"1209974"	336.159426	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+ACN+H"	42.033826
"1194254"	168.583351	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+ACN+2H"	43.041102
"188678"	633.22236	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+2Na-H"	44.97116
"628546"	927.34796	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+2Na-H"	44.97116
"1131340"	339.09676	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2Na-H"	44.97116
"172920"	317.114818	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+2Na"	45.978436
"612831"	464.177618	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+2Na"	45.978436
"1115706"	170.052018	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2Na"	45.978436
"1412014"	113.703770666667	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H+2Na"	46.985712
"1439754"	341.138346	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H+HCOOH"	47.012746
"229450"	322.14784	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+3H2O+2H"	56.04448
"1516421"	355.19039	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+IsoProp+H"	61.06479
"420485"	325.101788	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+Na+K"	61.952376
"779293"	472.164588	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+Na+K"	61.952376
"1677812"	178.038988	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Na+K"	61.952376
"259958"	652.266968	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+ACN+Na"	64.015768
"1226710"	358.141368	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+ACN+Na"	64.015768
"1717186"	358.164893	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+NH4+HCOOH"	64.039293
"1182540"	121.031084666667	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+3Na"	68.967654
"1657901"	363.120288	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Na+HCOOH"	68.994688
"163669"	665.17024	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+2K-H"	76.91904
"604323"	959.29584	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+2K-H"	76.91904
"1088835"	371.04464	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2K-H"	76.91904
"153307"	333.088758	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"2M+2K"	77.926316
"585213"	480.151558	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"3M+2K"	77.926316
"1074098"	186.025958	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2K"	77.926316
"1110953"	373.059192	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2K+H"	78.933592
"1345516"	373.146807	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+DMSO+H"	79.021207
"1010035"	377.185976	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2ACN+H"	83.060376
"1533626"	378.179608	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+IsoProp+Na+H"	84.054008
"998982"	189.096626	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+2ACN+2H"	84.067652
"1593485"	379.094228	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+K+HCOOH"	84.968628
"1424613"	409.125738	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+H+CF3COOH"	115.000138
"1159274"	209.609901	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+3ACN+2H"	125.094202
"1707731"	426.152285	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+NH4+CF3COOH"	132.026685
"1645569"	431.10768	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+Na+CF3COOH"	136.98208
"1574658"	447.08162	"C15049"	"(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone;2-Butyl-3-(4-hydroxybenzoyl)benzofuran"	"C19H18O3"	"294.1256"	"M+K+CF3COOH"	152.95602
"802839"	380.1624	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M"	0
"977464"	361.14401	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-H2O-H"	-19.01839
"63641"	252.434324	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M-3H"	-3.021828
"503119"	379.155124	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M-3H"	-3.021828
"880474"	125.713524	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-3H"	-3.021828
"1641"	379.155124	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M-2H"	-2.014552
"446677"	569.236324	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M-2H"	-2.014552
"817344"	189.073924	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-2H"	-2.014552
"79114"	759.317524	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M-H"	-1.007276
"519903"	1139.479924	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M-H"	-1.007276
"901839"	379.155124	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-H"	-1.007276
"51838"	776.344071	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M-2H+NH4"	16.019271
"492490"	1156.506471	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M-2H+NH4"	16.019271
"867012"	396.181671	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-2H+NH4"	16.019271
"39286"	781.299466	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M-2H+Na"	20.974666
"475565"	1161.461866	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M-2H+Na"	20.974666
"859931"	401.137066	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-2H+Na"	20.974666
"1629465"	401.137066	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Na-2H"	20.974666
"107088"	397.143463	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M-H+Cl"	33.962126
"546284"	587.224663	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M-H+Cl"	33.962126
"937612"	207.062263	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-H+Cl"	33.962126
"276532"	795.294202	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+Cl"	34.969402
"666766"	1175.456602	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+Cl"	34.969402
"1278077"	415.131802	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Cl"	34.969402
"22826"	797.273406	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M-2H+K"	36.948606
"460198"	1177.435806	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M-2H+K"	36.948606
"843476"	417.111006	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-2H+K"	36.948606
"1560400"	417.111006	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+K-2H"	36.948606
"944271"	425.160594	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-H+HCOOH"	44.998194
"368686"	805.323001	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+HCOOH-H"	44.998201
"348554"	819.338651	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+Hac-H"	59.013851
"1497027"	439.176251	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Hac-H"	59.013851
"967850"	447.142551	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-H+NaCOOH"	66.980151
"113478"	415.131802	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+2Cl"	69.938804
"554493"	605.213002	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+2Cl"	69.938804
"1026211"	225.050602	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2Cl"	69.938804
"1242384"	459.081285	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Br"	78.918885
"1304954"	461.137272	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Cl+HCOOH"	80.974872
"1320387"	483.119229	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Cl+NaCOOH"	102.956829
"914610"	493.147986	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M-H+CF3COOH"	112.985586
"1291313"	529.124664	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Cl+CF3COOH"	148.962264
"1370203"	345.149724	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H-2H2O"	-35.012676
"1388074"	363.1597	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H-H2O"	-17.0027
"291039"	761.332076	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+H"	1.007276
"681273"	1141.494476	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+H"	1.007276
"1353249"	381.169676	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H"	1.007276
"126864"	381.169676	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+2H"	2.014552
"566059"	571.250876	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+2H"	2.014552
"1039961"	191.088476	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2H"	2.014552
"204699"	254.448876	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+3H"	3.021828
"645472"	381.169676	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+3H"	3.021828
"1163028"	127.728076	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+3H"	3.021828
"431016"	778.358623	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+NH4"	18.033823
"798216"	1158.521023	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+NH4"	18.033823
"1690537"	398.196223	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+NH4"	18.033823
"343189"	389.6829495	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+H+NH4"	19.041099
"734517"	579.7641495	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+H+NH4"	19.041099
"1488339"	199.6017495	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H+NH4"	19.041099
"401551"	783.314018	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+Na"	22.989218
"758172"	1163.476418	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+Na"	22.989218
"1611743"	403.151618	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Na"	22.989218
"318498"	392.160647	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+H+Na"	23.996494
"709829"	582.241847	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+H+Na"	23.996494
"1465837"	202.079447	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H+Na"	23.996494
"1060172"	135.05539	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2H+Na"	25.00377
"1264038"	413.195886	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+CH3OH+H"	33.033486
"380426"	799.287958	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+K"	38.963158
"744703"	1179.450358	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+K"	38.963158
"1544567"	419.125558	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+K"	38.963158
"300281"	400.147617	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+H+K"	39.970434
"693433"	590.228817	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+H+K"	39.970434
"1445791"	210.066417	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H+K"	39.970434
"235892"	802.358626	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+ACN+H"	42.033826
"1209961"	422.196226	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+ACN+H"	42.033826
"1194323"	211.601751	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+ACN+2H"	43.041102
"189195"	805.29596	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+2Na-H"	44.97116
"628797"	1185.45836	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+2Na-H"	44.97116
"1131381"	425.13356	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2Na-H"	44.97116
"172883"	403.151618	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+2Na"	45.978436
"612824"	593.232818	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+2Na"	45.978436
"1115818"	213.070418	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2Na"	45.978436
"1410665"	142.382704	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H+2Na"	46.985712
"1442661"	427.175146	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H+HCOOH"	47.012746
"232477"	408.18464	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+3H2O+2H"	56.04448
"1514344"	441.22719	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+IsoProp+H"	61.06479
"417314"	411.138588	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+Na+K"	61.952376
"775393"	601.219788	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+Na+K"	61.952376
"1674642"	221.057388	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Na+K"	61.952376
"260068"	824.340568	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+ACN+Na"	64.015768
"1225891"	444.178168	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+ACN+Na"	64.015768
"1719477"	444.201693	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+NH4+HCOOH"	64.039293
"1182644"	149.710018	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+3Na"	68.967654
"1655093"	449.157088	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Na+HCOOH"	68.994688
"165238"	837.24384	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+2K-H"	76.91904
"605526"	1217.40624	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+2K-H"	76.91904
"1091132"	457.08144	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2K-H"	76.91904
"153418"	419.125558	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"2M+2K"	77.926316
"590425"	609.206758	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"3M+2K"	77.926316
"1077123"	229.044358	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2K"	77.926316
"1108147"	459.095992	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2K+H"	78.933592
"1342710"	459.183607	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+DMSO+H"	79.021207
"1010145"	463.222776	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2ACN+H"	83.060376
"1530456"	464.216408	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+IsoProp+Na+H"	84.054008
"999092"	232.115026	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+2ACN+2H"	84.067652
"1593594"	465.131028	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+K+HCOOH"	84.968628
"1423629"	495.162538	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+H+CF3COOH"	115.000138
"1156104"	252.628301	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+3ACN+2H"	125.094202
"1706747"	512.189085	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+NH4+CF3COOH"	132.026685
"1645679"	517.14448	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+Na+CF3COOH"	136.98208
"1574768"	533.11842	"C15050"	"22-Dimethyl-3-4-(acetyloxy)phenyl-4-ethyl-2H-1-benzopyran-7-ol acetate;4-Ethyl-3-(p-hydroxyphenyl)-22-dimethyl-2H-1-benzopyran-7-ol diacetate"	"C23H24O5"	"380.1624"	"M+K+CF3COOH"	152.95602
"801977"	310.1205	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M"	0
"977574"	291.10211	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-H2O-H"	-19.01839
"66909"	205.739724	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M-3H"	-3.021828
"504407"	309.113224	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M-3H"	-3.021828
"882084"	102.366224	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-3H"	-3.021828
"5031"	309.113224	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M-2H"	-2.014552
"446787"	464.173474	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M-2H"	-2.014552
"817659"	154.052974	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-2H"	-2.014552
"79222"	619.233724	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M-H"	-1.007276
"522687"	929.354224	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M-H"	-1.007276
"901949"	309.113224	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-H"	-1.007276
"58509"	636.260271	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M-2H+NH4"	16.019271
"492600"	946.380771	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M-2H+NH4"	16.019271
"869309"	326.139771	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-2H+NH4"	16.019271
"40489"	641.215666	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M-2H+Na"	20.974666
"475675"	951.336166	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M-2H+Na"	20.974666
"858948"	331.095166	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-2H+Na"	20.974666
"1630669"	331.095166	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Na-2H"	20.974666
"106469"	327.101563	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M-H+Cl"	33.962126
"547122"	482.161813	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M-H+Cl"	33.962126
"936992"	172.041313	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-H+Cl"	33.962126
"278467"	655.210402	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+Cl"	34.969402
"673805"	965.330902	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+Cl"	34.969402
"1278187"	345.089902	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Cl"	34.969402
"18923"	657.189606	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M-2H+K"	36.948606
"459210"	967.310106	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M-2H+K"	36.948606
"845772"	347.069106	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-2H+K"	36.948606
"1563792"	347.069106	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+K-2H"	36.948606
"950579"	355.118694	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-H+HCOOH"	44.998194
"370982"	665.239201	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+HCOOH-H"	44.998201
"348667"	679.254851	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+Hac-H"	59.013851
"1499323"	369.134351	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Hac-H"	59.013851
"965771"	377.100651	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-H+NaCOOH"	66.980151
"116868"	345.089902	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+2Cl"	69.938804
"556061"	500.150152	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+2Cl"	69.938804
"1027775"	190.029652	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2Cl"	69.938804
"1242252"	389.039385	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Br"	78.918885
"1304821"	391.095372	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Cl+HCOOH"	80.974872
"1321833"	413.077329	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Cl+NaCOOH"	102.956829
"914719"	423.106086	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M-H+CF3COOH"	112.985586
"1293972"	459.082764	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Cl+CF3COOH"	148.962264
"1372864"	275.107824	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H-2H2O"	-35.012676
"1388184"	293.1178	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H-H2O"	-17.0027
"286774"	621.248276	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+H"	1.007276
"678103"	931.368776	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+H"	1.007276
"1353359"	311.127776	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H"	1.007276
"128434"	311.127776	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+2H"	2.014552
"566048"	466.188026	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+2H"	2.014552
"1037641"	156.067526	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2H"	2.014552
"205660"	207.754276	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+3H"	3.021828
"644978"	311.127776	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+3H"	3.021828
"1162779"	104.380776	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+3H"	3.021828
"432219"	638.274823	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+NH4"	18.033823
"795410"	948.395323	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+NH4"	18.033823
"1688824"	328.154323	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+NH4"	18.033823
"335645"	319.6410495	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+H+NH4"	19.041099
"734627"	474.7012995	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+H+NH4"	19.041099
"1490635"	164.5807995	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H+NH4"	19.041099
"406039"	643.230218	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+Na"	22.989218
"760469"	953.350718	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+Na"	22.989218
"1607475"	333.109718	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Na"	22.989218
"320796"	322.118747	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+H+Na"	23.996494
"719782"	477.178997	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+H+Na"	23.996494
"1473237"	167.058497	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H+Na"	23.996494
"1060282"	111.70809	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2H+Na"	25.00377
"1266335"	343.153986	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+CH3OH+H"	33.033486
"381629"	659.204158	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+K"	38.963158
"745906"	969.324658	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+K"	38.963158
"1545770"	349.083658	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+K"	38.963158
"301118"	330.105717	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+H+K"	39.970434
"697550"	485.165967	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+H+K"	39.970434
"1446995"	175.045467	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H+K"	39.970434
"237057"	662.274826	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+ACN+H"	42.033826
"1210053"	352.154326	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+ACN+H"	42.033826
"1194489"	176.580801	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+ACN+2H"	43.041102
"189425"	665.21216	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+2Na-H"	44.97116
"628825"	975.33266	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+2Na-H"	44.97116
"1131640"	355.09166	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2Na-H"	44.97116
"173309"	333.109718	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+2Na"	45.978436
"613403"	488.169968	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+2Na"	45.978436
"1116057"	178.049468	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2Na"	45.978436
"1402021"	119.035404	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H+2Na"	46.985712
"1440705"	357.133246	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H+HCOOH"	47.012746
"227120"	338.14274	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+3H2O+2H"	56.04448
"1514454"	371.18529	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+IsoProp+H"	61.06479
"421798"	341.096688	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+Na+K"	61.952376
"778419"	496.156938	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+Na+K"	61.952376
"1679491"	186.036438	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Na+K"	61.952376
"263458"	684.256768	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+ACN+Na"	64.015768
"1230335"	374.136268	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+ACN+Na"	64.015768
"1720682"	374.159793	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+NH4+HCOOH"	64.039293
"1182754"	126.362718	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+3Na"	68.967654
"1658119"	379.115188	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Na+HCOOH"	68.994688
"167900"	697.16004	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+2K-H"	76.91904
"609645"	1007.28054	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+2K-H"	76.91904
"1096709"	387.03954	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2K-H"	76.91904
"154622"	349.083658	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"2M+2K"	77.926316
"594546"	504.143908	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"3M+2K"	77.926316
"1079056"	194.023408	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2K"	77.926316
"1111173"	389.054092	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2K+H"	78.933592
"1345736"	389.141707	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+DMSO+H"	79.021207
"1013535"	393.180876	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2ACN+H"	83.060376
"1531660"	394.174508	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+IsoProp+Na+H"	84.054008
"999202"	197.094076	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+2ACN+2H"	84.067652
"1593705"	395.089128	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+K+HCOOH"	84.968628
"1422646"	425.120638	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+H+CF3COOH"	115.000138
"1160224"	217.607351	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+3ACN+2H"	125.094202
"1706858"	442.147185	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+NH4+CF3COOH"	132.026685
"1645789"	447.10258	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+Na+CF3COOH"	136.98208
"1574878"	463.07652	"C15051"	"7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin"	"C19H18O4"	"310.1205"	"M+K+CF3COOH"	152.95602
"801966"	282.0892	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M"	0
"976591"	263.07081	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-H2O-H"	-19.01839
"64103"	187.052190666667	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M-3H"	-3.021828
"506582"	281.081924	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M-3H"	-3.021828
"882557"	93.0224573333333	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-3H"	-3.021828
"5141"	281.081924	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M-2H"	-2.014552
"444710"	422.126524	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M-2H"	-2.014552
"818497"	140.037324	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-2H"	-2.014552
"79823"	563.171124	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M-H"	-1.007276
"525349"	845.260324	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M-H"	-1.007276
"902059"	281.081924	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-H"	-1.007276
"55338"	580.197671	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M-2H+NH4"	16.019271
"489430"	862.286871	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M-2H+NH4"	16.019271
"869419"	298.108471	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-2H+NH4"	16.019271
"35132"	585.153066	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M-2H+Na"	20.974666
"473839"	867.242266	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M-2H+Na"	20.974666
"860150"	303.063866	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-2H+Na"	20.974666
"1627498"	303.063866	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Na-2H"	20.974666
"105119"	299.070263	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M-H+Cl"	33.962126
"546138"	440.114863	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M-H+Cl"	33.962126
"931634"	158.025663	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-H+Cl"	33.962126
"276752"	599.147802	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+Cl"	34.969402
"671725"	881.237002	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+Cl"	34.969402
"1276476"	317.058602	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Cl"	34.969402
"18668"	601.127006	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M-2H+K"	36.948606
"461507"	883.216206	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M-2H+K"	36.948606
"837135"	319.037806	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-2H+K"	36.948606
"1559528"	319.037806	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+K-2H"	36.948606
"948502"	327.087394	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-H+HCOOH"	44.998194
"368905"	609.176601	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+HCOOH-H"	44.998201
"348046"	623.192251	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+Hac-H"	59.013851
"1498339"	341.103051	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Hac-H"	59.013851
"961506"	349.069351	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-H+NaCOOH"	66.980151
"114788"	317.058602	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+2Cl"	69.938804
"558720"	458.103202	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+2Cl"	69.938804
"1029707"	176.014002	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2Cl"	69.938804
"1244549"	361.008085	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Br"	78.918885
"1311732"	363.064072	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Cl+HCOOH"	80.974872
"1321584"	385.046029	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Cl+NaCOOH"	102.956829
"912642"	395.074786	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M-H+CF3COOH"	112.985586
"1294082"	431.051464	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Cl+CF3COOH"	148.962264
"1369329"	247.076524	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H-2H2O"	-35.012676
"1389389"	265.0865	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H-H2O"	-17.0027
"286887"	565.185676	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+H"	1.007276
"678214"	847.274876	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+H"	1.007276
"1352375"	283.096476	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H"	1.007276
"125773"	283.096476	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+2H"	2.014552
"565817"	424.141076	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+2H"	2.014552
"1037298"	142.051876	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2H"	2.014552
"205163"	189.066742666667	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+3H"	3.021828
"644725"	283.096476	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+3H"	3.021828
"1163456"	95.0370093333333	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+3H"	3.021828
"425036"	582.212223	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+NH4"	18.033823
"795520"	864.301423	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+NH4"	18.033823
"1687477"	300.123023	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+NH4"	18.033823
"336483"	291.6097495	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+H+NH4"	19.041099
"733644"	432.6543495	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+H+NH4"	19.041099
"1490745"	150.5651495	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H+NH4"	19.041099
"405783"	587.167618	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+Na"	22.989218
"760579"	869.256818	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+Na"	22.989218
"1610866"	305.078418	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Na"	22.989218
"323093"	294.087447	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+H+Na"	23.996494
"717703"	435.132047	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+H+Na"	23.996494
"1470430"	153.042847	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H+Na"	23.996494
"1060392"	102.364323333333	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2H+Na"	25.00377
"1263166"	315.122686	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+CH3OH+H"	33.033486
"381739"	603.141558	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+K"	38.963158
"744922"	885.230758	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+K"	38.963158
"1544786"	321.052358	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+K"	38.963158
"300135"	302.074417	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+H+K"	39.970434
"692192"	443.119017	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+H+K"	39.970434
"1450384"	161.029817	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H+K"	39.970434
"238620"	606.212226	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+ACN+H"	42.033826
"1213881"	324.123026	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+ACN+H"	42.033826
"1195819"	162.565151	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+ACN+2H"	43.041102
"189173"	609.14956	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+2Na-H"	44.97116
"629098"	891.23876	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+2Na-H"	44.97116
"1131715"	327.06036	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2Na-H"	44.97116
"173262"	305.078418	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+2Na"	45.978436
"614123"	446.123018	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+2Na"	45.978436
"1116168"	164.033818	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2Na"	45.978436
"1402860"	109.691637333333	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H+2Na"	46.985712
"1442637"	329.101946	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H+HCOOH"	47.012746
"230510"	310.11144	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+3H2O+2H"	56.04448
"1514565"	343.15399	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+IsoProp+H"	61.06479
"422155"	313.065388	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+Na+K"	61.952376
"777801"	454.109988	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+Na+K"	61.952376
"1677049"	172.020788	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Na+K"	61.952376
"261382"	628.194168	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+ACN+Na"	64.015768
"1230445"	346.104968	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+ACN+Na"	64.015768
"1715687"	346.128493	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+NH4+HCOOH"	64.039293
"1178724"	117.018951333333	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+3Na"	68.967654
"1657134"	351.083888	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Na+HCOOH"	68.994688
"166915"	641.09744	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+2K-H"	76.91904
"603559"	923.18664	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+2K-H"	76.91904
"1096092"	359.00824	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2K-H"	76.91904
"152908"	321.052358	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"2M+2K"	77.926316
"592468"	462.096958	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"3M+2K"	77.926316
"1079166"	180.007758	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2K"	77.926316
"1110554"	361.022792	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2K+H"	78.933592
"1345117"	361.110407	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+DMSO+H"	79.021207
"1013645"	365.149576	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2ACN+H"	83.060376
"1532863"	366.143208	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+IsoProp+Na+H"	84.054008
"999312"	183.078426	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+2ACN+2H"	84.067652
"1593815"	367.057828	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+K+HCOOH"	84.968628
"1421663"	397.089338	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+H+CF3COOH"	115.000138
"1160334"	203.591701	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+3ACN+2H"	125.094202
"1706968"	414.115885	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+NH4+CF3COOH"	132.026685
"1645899"	419.07128	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+Na+CF3COOH"	136.98208
"1574988"	435.04522	"C15052"	"7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one"	"C17H14O4"	"282.0892"	"M+K+CF3COOH"	152.95602
"805356"	366.1831	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M"	0
"977794"	347.16471	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-H2O-H"	-19.01839
"67130"	243.114790666667	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M-3H"	-3.021828
"508879"	365.175824	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M-3H"	-3.021828
"885583"	121.053757333333	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-3H"	-3.021828
"6709"	365.175824	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M-2H"	-2.014552
"447007"	548.267374	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M-2H"	-2.014552
"820067"	182.084274	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-2H"	-2.014552
"80910"	731.358924	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M-H"	-1.007276
"525459"	1097.542024	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M-H"	-1.007276
"905449"	365.175824	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-H"	-1.007276
"57635"	748.385471	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M-2H+NH4"	16.019271
"489540"	1114.568571	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M-2H+NH4"	16.019271
"867342"	382.202371	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-2H+NH4"	16.019271
"35242"	753.340866	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M-2H+Na"	20.974666
"473829"	1119.523966	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M-2H+Na"	20.974666
"859166"	387.157766	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-2H+Na"	20.974666
"1629431"	387.157766	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Na-2H"	20.974666
"105229"	383.164163	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M-H+Cl"	33.962126
"544789"	566.255713	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M-H+Cl"	33.962126
"933932"	200.072613	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-H+Cl"	33.962126
"275769"	767.335602	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+Cl"	34.969402
"670376"	1133.518702	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+Cl"	34.969402
"1278408"	401.152502	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Cl"	34.969402
"20966"	769.314806	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M-2H+K"	36.948606
"461617"	1135.497906	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M-2H+K"	36.948606
"840525"	403.131706	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-2H+K"	36.948606
"1560732"	403.131706	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+K-2H"	36.948606
"951894"	411.181294	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-H+HCOOH"	44.998194
"369015"	777.364401	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+HCOOH-H"	44.998201
"347791"	791.380051	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+Hac-H"	59.013851
"1499543"	425.196951	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Hac-H"	59.013851
"963074"	433.163251	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-H+NaCOOH"	66.980151
"113440"	401.152502	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+2Cl"	69.938804
"555551"	584.244052	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+2Cl"	69.938804
"1026539"	218.060952	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2Cl"	69.938804
"1245023"	445.101985	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Br"	78.918885
"1309293"	447.157972	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Cl+HCOOH"	80.974872
"1323881"	469.139929	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Cl+NaCOOH"	102.956829
"913847"	479.168686	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M-H+CF3COOH"	112.985586
"1291278"	515.145364	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Cl+CF3COOH"	148.962264
"1371263"	331.170424	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H-2H2O"	-35.012676
"1389499"	349.1804	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H-H2O"	-17.0027
"288090"	733.373476	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+H"	1.007276
"677231"	1099.556576	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+H"	1.007276
"1351672"	367.190376	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H"	1.007276
"126345"	367.190376	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+2H"	2.014552
"566753"	550.281926	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+2H"	2.014552
"1037494"	184.098826	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2H"	2.014552
"204664"	245.129342666667	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+3H"	3.021828
"645441"	367.190376	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+3H"	3.021828
"1162958"	123.068309333333	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+3H"	3.021828
"424299"	750.400023	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+NH4"	18.033823
"793075"	1116.583123	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+NH4"	18.033823
"1687583"	384.216923	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+NH4"	18.033823
"336957"	375.7036495	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+H+NH4"	19.041099
"729379"	558.7951995	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+H+NH4"	19.041099
"1486478"	192.6120995	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H+NH4"	19.041099
"399694"	755.355418	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+Na"	22.989218
"761781"	1121.538518	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+Na"	22.989218
"1607695"	389.172318	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Na"	22.989218
"318825"	378.181347	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+H+Na"	23.996494
"711245"	561.272897	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+H+Na"	23.996494
"1462879"	195.089797	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H+Na"	23.996494
"1055395"	130.395623333333	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2H+Na"	25.00377
"1257801"	399.216586	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+CH3OH+H"	33.033486
"377265"	771.329358	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+K"	38.963158
"739922"	1137.512458	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+K"	38.963158
"1540637"	405.146258	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+K"	38.963158
"299878"	386.168317	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+H+K"	39.970434
"691972"	569.259867	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+H+K"	39.970434
"1447939"	203.076767	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H+K"	39.970434
"238367"	774.400026	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+ACN+H"	42.033826
"1210711"	408.216926	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+ACN+H"	42.033826
"1194589"	204.612101	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+ACN+2H"	43.041102
"189402"	777.33736	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+2Na-H"	44.97116
"629090"	1143.52046	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+2Na-H"	44.97116
"1131423"	411.15426	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2Na-H"	44.97116
"172892"	389.172318	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+2Na"	45.978436
"612918"	572.263868	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+2Na"	45.978436
"1116035"	206.080768	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2Na"	45.978436
"1409168"	137.722937333333	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H+2Na"	46.985712
"1442019"	413.195846	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H+HCOOH"	47.012746
"232444"	394.20534	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+3H2O+2H"	56.04448
"1519047"	427.24789	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+IsoProp+H"	61.06479
"423112"	397.159288	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+Na+K"	61.952376
"779734"	580.250838	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+Na+K"	61.952376
"1674241"	214.067738	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Na+K"	61.952376
"262584"	796.381968	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+ACN+Na"	64.015768
"1231282"	430.198868	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+ACN+Na"	64.015768
"1715433"	430.222393	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+NH4+HCOOH"	64.039293
"1179931"	145.050251333333	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+3Na"	68.967654
"1656152"	435.177788	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Na+HCOOH"	68.994688
"165202"	809.28524	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+2K-H"	76.91904
"603669"	1175.46834	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+2K-H"	76.91904
"1095836"	443.10214	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2K-H"	76.91904
"154111"	405.146258	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"2M+2K"	77.926316
"593671"	588.237808	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"3M+2K"	77.926316
"1079276"	222.054708	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2K"	77.926316
"1111393"	445.116692	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2K+H"	78.933592
"1346321"	445.204307	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+DMSO+H"	79.021207
"1013755"	449.243476	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2ACN+H"	83.060376
"1531880"	450.237108	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+IsoProp+Na+H"	84.054008
"996141"	225.125376	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+2ACN+2H"	84.067652
"1592831"	451.151728	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+K+HCOOH"	84.968628
"1423959"	481.183238	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+H+CF3COOH"	115.000138
"1160444"	245.638651	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+3ACN+2H"	125.094202
"1711451"	498.209785	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+NH4+CF3COOH"	132.026685
"1646008"	503.16518	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+Na+CF3COOH"	136.98208
"1576190"	519.13912	"C15053"	"22-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate"	"C23H26O4"	"366.1831"	"M+K+CF3COOH"	152.95602
"816757"	310.1569	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M"	0
"988600"	291.13851	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-H2O-H"	-19.01839
"72709"	205.763990666667	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M-3H"	-3.021828
"504614"	309.149624	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M-3H"	-3.021828
"885693"	102.378357333333	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-3H"	-3.021828
"6457"	309.149624	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M-2H"	-2.014552
"444930"	464.228074	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M-2H"	-2.014552
"819811"	154.071174	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-2H"	-2.014552
"79441"	619.306524	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M-H"	-1.007276
"523017"	929.463424	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M-H"	-1.007276
"907746"	309.149624	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-H"	-1.007276
"57745"	636.333071	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M-2H+NH4"	16.019271
"492930"	946.489971	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M-2H+NH4"	16.019271
"864535"	326.176171	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-2H+NH4"	16.019271
"38632"	641.288466	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M-2H+Na"	20.974666
"476005"	951.445366	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M-2H+Na"	20.974666
"859276"	331.131566	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-2H+Na"	20.974666
"1631000"	331.131566	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Na-2H"	20.974666
"104246"	327.137963	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M-H+Cl"	33.962126
"544535"	482.216413	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M-H+Cl"	33.962126
"934042"	172.059513	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-H+Cl"	33.962126
"274785"	655.283202	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+Cl"	34.969402
"670122"	965.440102	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+Cl"	34.969402
"1283986"	345.126302	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Cl"	34.969402
"21075"	657.262406	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M-2H+K"	36.948606
"465006"	967.419306	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M-2H+K"	36.948606
"842821"	347.105506	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-2H+K"	36.948606
"1563026"	347.105506	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+K-2H"	36.948606
"953097"	355.155094	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-H+HCOOH"	44.998194
"370218"	665.312001	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+HCOOH-H"	44.998201
"348633"	679.327651	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+Hac-H"	59.013851
"1499653"	369.170751	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Hac-H"	59.013851
"962820"	377.137051	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-H+NaCOOH"	66.980151
"115005"	345.126302	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+2Cl"	69.938804
"552745"	500.204752	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+2Cl"	69.938804
"1024463"	190.047852	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2Cl"	69.938804
"1247318"	389.075785	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Br"	78.918885
"1309038"	391.131772	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Cl+HCOOH"	80.974872
"1320343"	413.113729	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Cl+NaCOOH"	102.956829
"914315"	423.142486	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M-H+CF3COOH"	112.985586
"1289567"	459.119164	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Cl+CF3COOH"	148.962264
"1368093"	275.144224	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H-2H2O"	-35.012676
"1391796"	293.1542	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H-H2O"	-17.0027
"287107"	621.321076	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+H"	1.007276
"679528"	931.477976	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+H"	1.007276
"1353324"	311.164176	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H"	1.007276
"125751"	311.164176	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+2H"	2.014552
"565709"	466.242626	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+2H"	2.014552
"1037225"	156.085726	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2H"	2.014552
"204895"	207.778542666667	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+3H"	3.021828
"644696"	311.164176	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+3H"	3.021828
"1163148"	104.392909333333	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+3H"	3.021828
"425254"	638.347623	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+NH4"	18.033823
"793550"	948.504523	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+NH4"	18.033823
"1692066"	328.190723	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+NH4"	18.033823
"337063"	319.6774495	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+H+NH4"	19.041099
"732763"	474.7558995	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+H+NH4"	19.041099
"1487682"	164.5989995	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H+NH4"	19.041099
"399804"	643.303018	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+Na"	22.989218
"761891"	953.459918	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+Na"	22.989218
"1609992"	333.146118	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Na"	22.989218
"318935"	322.155147	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+H+Na"	23.996494
"711356"	477.233597	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+H+Na"	23.996494
"1465176"	167.076697	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H+Na"	23.996494
"1054412"	111.720223333333	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2H+Na"	25.00377
"1257669"	343.190386	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+CH3OH+H"	33.033486
"379040"	659.276958	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+K"	38.963158
"738733"	969.433858	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+K"	38.963158
"1542085"	349.120058	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+K"	38.963158
"298771"	330.142117	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+H+K"	39.970434
"691759"	485.220567	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+H+K"	39.970434
"1446228"	175.063667	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H+K"	39.970434
"238111"	662.347626	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+ACN+H"	42.033826
"1211185"	352.190726	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+ACN+H"	42.033826
"1194703"	176.599001	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+ACN+2H"	43.041102
"188605"	665.28496	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+2Na-H"	44.97116
"628564"	975.44186	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+2Na-H"	44.97116
"1132829"	355.12806	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2Na-H"	44.97116
"173053"	333.146118	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+2Na"	45.978436
"612838"	488.224568	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+2Na"	45.978436
"1115661"	178.067668	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2Na"	45.978436
"1401255"	119.047537333333	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H+2Na"	46.985712
"1442858"	357.169646	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H+HCOOH"	47.012746
"233647"	338.17914	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+3H2O+2H"	56.04448
"1515877"	371.22169	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+IsoProp+H"	61.06479
"421035"	341.133088	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+Na+K"	61.952376
"783124"	496.211538	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+Na+K"	61.952376
"1673987"	186.054638	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Na+K"	61.952376
"261600"	684.329568	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+ACN+Na"	64.015768
"1231027"	374.172668	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+ACN+Na"	64.015768
"1715543"	374.196193	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+NH4+HCOOH"	64.039293
"1179795"	126.374851333333	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+3Na"	68.967654
"1659540"	379.151588	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Na+HCOOH"	68.994688
"163122"	697.23284	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+2K-H"	76.91904
"603778"	1007.38974	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+2K-H"	76.91904
"1095945"	387.07594	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2K-H"	76.91904
"149480"	349.120058	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"2M+2K"	77.926316
"594510"	504.198508	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"3M+2K"	77.926316
"1079022"	194.041608	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2K"	77.926316
"1110774"	389.090492	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2K+H"	78.933592
"1344973"	389.178107	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+DMSO+H"	79.021207
"1016052"	393.217276	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2ACN+H"	83.060376
"1533083"	394.210908	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+IsoProp+Na+H"	84.054008
"997343"	197.112276	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+2ACN+2H"	84.067652
"1592941"	395.125528	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+K+HCOOH"	84.968628
"1418601"	425.157038	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+H+CF3COOH"	115.000138
"1157637"	217.625551	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+3ACN+2H"	125.094202
"1709373"	442.183585	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+NH4+CF3COOH"	132.026685
"1640650"	447.13898	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+Na+CF3COOH"	136.98208
"1575208"	463.11292	"C15054"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol"	"C20H22O3"	"310.1569"	"M+K+CF3COOH"	152.95602
"812137"	352.1675	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M"	0
"980202"	333.14911	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-H2O-H"	-19.01839
"68444"	233.771057333333	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M-3H"	-3.021828
"510194"	351.160224	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M-3H"	-3.021828
"881797"	116.381890666667	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-3H"	-3.021828
"3652"	351.160224	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M-2H"	-2.014552
"446135"	527.243974	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M-2H"	-2.014552
"817493"	175.076474	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-2H"	-2.014552
"79185"	703.327724	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M-H"	-1.007276
"527866"	1055.495224	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M-H"	-1.007276
"907128"	351.160224	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-H"	-1.007276
"58222"	720.354271	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M-2H+NH4"	16.019271
"496323"	1072.521771	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M-2H+NH4"	16.019271
"873030"	368.186771	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-2H+NH4"	16.019271
"39838"	725.309666	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M-2H+Na"	20.974666
"482312"	1077.477166	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M-2H+Na"	20.974666
"859024"	373.142166	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-2H+Na"	20.974666
"1627465"	373.142166	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Na-2H"	20.974666
"105086"	369.148563	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M-H+Cl"	33.962126
"547929"	545.232313	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M-H+Cl"	33.962126
"935245"	193.064813	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-H+Cl"	33.962126
"275259"	739.304402	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+Cl"	34.969402
"671327"	1091.471902	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+Cl"	34.969402
"1284825"	387.136902	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Cl"	34.969402
"26649"	741.283606	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M-2H+K"	36.948606
"466208"	1093.451106	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M-2H+K"	36.948606
"835274"	389.116106	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-2H+K"	36.948606
"1558761"	389.116106	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+K-2H"	36.948606
"944457"	397.165694	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-H+HCOOH"	44.998194
"362670"	749.333201	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+HCOOH-H"	44.998201
"347649"	763.348851	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+Hac-H"	59.013851
"1494656"	411.181351	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Hac-H"	59.013851
"966210"	419.147651	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-H+NaCOOH"	66.980151
"114022"	387.136902	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+2Cl"	69.938804
"553585"	563.220652	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+2Cl"	69.938804
"1026756"	211.053152	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2Cl"	69.938804
"1245971"	431.086385	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Br"	78.918885
"1308420"	433.142372	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Cl+HCOOH"	80.974872
"1321180"	455.124329	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Cl+NaCOOH"	102.956829
"915155"	465.153086	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M-H+CF3COOH"	112.985586
"1290040"	501.129764	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Cl+CF3COOH"	148.962264
"1369296"	317.154824	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H-2H2O"	-35.012676
"1389719"	335.1648	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H-H2O"	-17.0027
"292685"	705.342276	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+H"	1.007276
"679638"	1057.509776	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+H"	1.007276
"1351732"	353.174776	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H"	1.007276
"126443"	353.174776	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+2H"	2.014552
"565708"	529.258526	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+2H"	2.014552
"1037096"	177.091026	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2H"	2.014552
"204761"	235.785609333333	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+3H"	3.021828
"645049"	353.174776	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+3H"	3.021828
"1162893"	118.396442666667	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+3H"	3.021828
"424626"	722.368823	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+NH4"	18.033823
"796941"	1074.536323	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+NH4"	18.033823
"1694364"	370.201323	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+NH4"	18.033823
"342641"	361.6880495	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+H+NH4"	19.041099
"729593"	537.7717995	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+H+NH4"	19.041099
"1484512"	185.6042995	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H+NH4"	19.041099
"403194"	727.324218	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+Na"	22.989218
"766012"	1079.491718	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+Na"	22.989218
"1611195"	375.156718	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Na"	22.989218
"322326"	364.165747	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+H+Na"	23.996494
"711466"	540.249497	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+H+Na"	23.996494
"1465286"	188.081997	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H+Na"	23.996494
"1054522"	125.723756666667	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2H+Na"	25.00377
"1258022"	385.200986	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+CH3OH+H"	33.033486
"380973"	743.298158	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+K"	38.963158
"738760"	1095.465658	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+K"	38.963158
"1540169"	391.130658	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+K"	38.963158
"300099"	372.152717	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+H+K"	39.970434
"697988"	548.236467	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+H+K"	39.970434
"1455088"	196.068967	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H+K"	39.970434
"238586"	746.368826	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+ACN+H"	42.033826
"1214210"	394.201326	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+ACN+H"	42.033826
"1195177"	197.604301	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+ACN+2H"	43.041102
"188934"	749.30616	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+2Na-H"	44.97116
"628777"	1101.47366	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+2Na-H"	44.97116
"1132243"	397.13866	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2Na-H"	44.97116
"173797"	375.156718	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+2Na"	45.978436
"614696"	551.240468	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+2Na"	45.978436
"1120025"	199.072968	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2Na"	45.978436
"1403549"	133.051070666667	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H+2Na"	46.985712
"1430396"	399.180246	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H+HCOOH"	47.012746
"221718"	380.18974	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+3H2O+2H"	56.04448
"1510146"	413.23229	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+IsoProp+H"	61.06479
"419682"	383.143688	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+Na+K"	61.952376
"781039"	559.227438	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+Na+K"	61.952376
"1675191"	207.059938	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Na+K"	61.952376
"259524"	768.350768	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+ACN+Na"	64.015768
"1228951"	416.183268	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+ACN+Na"	64.015768
"1715653"	416.206793	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+NH4+HCOOH"	64.039293
"1178935"	140.378384666667	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+3Na"	68.967654
"1659650"	421.162188	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Na+HCOOH"	68.994688
"162139"	781.25404	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+2K-H"	76.91904
"607168"	1133.42154	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+2K-H"	76.91904
"1098244"	429.08654	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2K-H"	76.91904
"153967"	391.130658	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"2M+2K"	77.926316
"594620"	567.214408	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"3M+2K"	77.926316
"1079496"	215.046908	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2K"	77.926316
"1111978"	431.101092	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2K+H"	78.933592
"1348728"	431.188707	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+DMSO+H"	79.021207
"1019080"	435.227876	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2ACN+H"	83.060376
"1536112"	436.221508	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+IsoProp+Na+H"	84.054008
"996361"	218.117576	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+2ACN+2H"	84.067652
"1598519"	437.136128	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+K+HCOOH"	84.968628
"1420898"	467.167638	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+H+CF3COOH"	115.000138
"1157747"	238.630851	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+3ACN+2H"	125.094202
"1707299"	484.194185	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+NH4+CF3COOH"	132.026685
"1647321"	489.14958	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+Na+CF3COOH"	136.98208
"1573131"	505.12352	"C15055"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate"	"C22H24O4"	"352.1675"	"M+K+CF3COOH"	152.95602
"815408"	326.1318	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M"	0
"984689"	307.11341	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-H2O-H"	-19.01839
"71836"	216.413924	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M-3H"	-3.021828
"509209"	325.124524	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M-3H"	-3.021828
"887012"	107.703324	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-3H"	-3.021828
"9963"	325.124524	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M-2H"	-2.014552
"451717"	488.190424	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M-2H"	-2.014552
"832320"	162.058624	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-2H"	-2.014552
"90237"	651.256324	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M-H"	-1.007276
"525791"	977.388124	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M-H"	-1.007276
"906509"	325.124524	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-H"	-1.007276
"60643"	668.282871	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M-2H+NH4"	16.019271
"501543"	994.414671	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M-2H+NH4"	16.019271
"879223"	342.151071	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-2H+NH4"	16.019271
"46273"	673.238266	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M-2H+Na"	20.974666
"486564"	999.370066	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M-2H+Na"	20.974666
"862665"	347.106466	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-2H+Na"	20.974666
"1632685"	347.106466	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Na-2H"	20.974666
"109461"	343.112863	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M-H+Cl"	33.962126
"548284"	506.178763	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M-H+Cl"	33.962126
"939733"	180.046963	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-H+Cl"	33.962126
"281208"	687.233002	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+Cl"	34.969402
"668887"	1013.364802	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+Cl"	34.969402
"1279469"	361.101202	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Cl"	34.969402
"26770"	689.212206	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M-2H+K"	36.948606
"460861"	1015.344006	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M-2H+K"	36.948606
"843773"	363.080406	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-2H+K"	36.948606
"1562157"	363.080406	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+K-2H"	36.948606
"950040"	371.129994	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-H+HCOOH"	44.998194
"370443"	697.261801	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+HCOOH-H"	44.998201
"354327"	711.277451	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+Hac-H"	59.013851
"1496598"	385.145651	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Hac-H"	59.013851
"961955"	393.111951	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-H+NaCOOH"	66.980151
"111226"	361.101202	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+2Cl"	69.938804
"558075"	524.167102	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+2Cl"	69.938804
"1026876"	198.035302	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2Cl"	69.938804
"1247546"	405.050685	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Br"	78.918885
"1311090"	407.106672	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Cl+HCOOH"	80.974872
"1327493"	429.088629	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Cl+NaCOOH"	102.956829
"919645"	439.117386	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M-H+CF3COOH"	112.985586
"1291978"	475.094064	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Cl+CF3COOH"	148.962264
"1379990"	291.119124	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H-2H2O"	-35.012676
"1389830"	309.1291	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H-H2O"	-17.0027
"290611"	653.270876	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+H"	1.007276
"680845"	979.402676	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+H"	1.007276
"1351559"	327.139076	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H"	1.007276
"127897"	327.139076	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+2H"	2.014552
"567455"	490.204976	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+2H"	2.014552
"1039168"	164.073176	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2H"	2.014552
"207066"	218.428476	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+3H"	3.021828
"646992"	327.139076	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+3H"	3.021828
"1164142"	109.717876	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+3H"	3.021828
"426566"	670.297423	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+NH4"	18.033823
"799240"	996.429223	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+NH4"	18.033823
"1695207"	344.165623	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+NH4"	18.033823
"342756"	335.6523495	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+H+NH4"	19.041099
"734083"	498.7182495	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+H+NH4"	19.041099
"1483531"	172.5864495	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H+NH4"	19.041099
"406588"	675.252818	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+Na"	22.989218
"765394"	1001.384618	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+Na"	22.989218
"1615682"	349.121018	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Na"	22.989218
"323532"	338.130047	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+H+Na"	23.996494
"717046"	501.195947	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+H+Na"	23.996494
"1469773"	175.064147	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H+Na"	23.996494
"1063018"	117.04519	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2H+Na"	25.00377
"1266885"	359.165286	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+CH3OH+H"	33.033486
"379990"	691.226758	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+K"	38.963158
"742079"	1017.358558	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+K"	38.963158
"1543038"	365.094958	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+K"	38.963158
"300212"	346.117017	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+H+K"	39.970434
"692753"	509.182917	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+H+K"	39.970434
"1447545"	183.051117	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H+K"	39.970434
"242707"	694.297426	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+ACN+H"	42.033826
"1217604"	368.165626	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+ACN+H"	42.033826
"1194557"	184.586451	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+ACN+2H"	43.041102
"189004"	697.23476	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+2Na-H"	44.97116
"629418"	1023.36656	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+2Na-H"	44.97116
"1133049"	371.10296	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2Na-H"	44.97116
"173910"	349.121018	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+2Na"	45.978436
"613717"	512.186918	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+2Na"	45.978436
"1116489"	186.055118	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2Na"	45.978436
"1401843"	124.372504	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H+2Na"	46.985712
"1445023"	373.144546	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H+HCOOH"	47.012746
"232410"	354.15404	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+3H2O+2H"	56.04448
"1520837"	387.19659	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+IsoProp+H"	61.06479
"420525"	357.107988	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+Na+K"	61.952376
"781155"	520.173888	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+Na+K"	61.952376
"1670198"	194.042088	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Na+K"	61.952376
"254165"	716.279368	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+ACN+Na"	64.015768
"1227599"	390.147568	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+ACN+Na"	64.015768
"1716855"	390.171093	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+NH4+HCOOH"	64.039293
"1178929"	131.699818	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+3Na"	68.967654
"1652103"	395.126488	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Na+HCOOH"	68.994688
"157385"	729.18264	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+2K-H"	76.91904
"604361"	1055.31444	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+2K-H"	76.91904
"1093248"	403.05084	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2K-H"	76.91904
"150794"	365.094958	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"2M+2K"	77.926316
"592176"	528.160858	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"3M+2K"	77.926316
"1077054"	202.029058	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2K"	77.926316
"1108806"	405.065392	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2K+H"	78.933592
"1337414"	405.153007	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+DMSO+H"	79.021207
"1015544"	409.192176	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2ACN+H"	83.060376
"1534034"	410.185808	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+IsoProp+Na+H"	84.054008
"995377"	205.099726	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+2ACN+2H"	84.067652
"1594255"	411.100428	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+K+HCOOH"	84.968628
"1422101"	441.131938	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+H+CF3COOH"	115.000138
"1158950"	225.613001	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+3ACN+2H"	125.094202
"1709595"	458.158485	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+NH4+CF3COOH"	132.026685
"1647431"	463.11388	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+Na+CF3COOH"	136.98208
"1573241"	479.08782	"C15056"	"224-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	"C20H19FO3"	"326.1318"	"M+K+CF3COOH"	152.95602
"812357"	372.2664	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M"	0
"980422"	353.24801	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-H2O-H"	-19.01839
"67571"	247.170324	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M-3H"	-3.021828
"507132"	371.259124	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M-3H"	-3.021828
"882016"	123.081524	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-3H"	-3.021828
"4598"	371.259124	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M-2H"	-2.014552
"447448"	557.392324	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M-2H"	-2.014552
"818199"	185.125924	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-2H"	-2.014552
"79770"	743.525524	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M-H"	-1.007276
"532463"	1115.791924	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M-H"	-1.007276
"906984"	371.259124	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-H"	-1.007276
"60267"	760.552071	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M-2H+NH4"	16.019271
"501657"	1132.818471	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M-2H+NH4"	16.019271
"879213"	388.285671	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-2H+NH4"	16.019271
"46019"	765.507466	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M-2H+Na"	20.974666
"486553"	1137.773866	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M-2H+Na"	20.974666
"862777"	393.241066	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-2H+Na"	20.974666
"1632433"	393.241066	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Na-2H"	20.974666
"109207"	389.247463	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M-H+Cl"	33.962126
"548028"	575.380663	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M-H+Cl"	33.962126
"940816"	203.114263	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-H+Cl"	33.962126
"280586"	779.502202	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+Cl"	34.969402
"669728"	1151.768602	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+Cl"	34.969402
"1279943"	407.235802	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Cl"	34.969402
"26880"	781.481406	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M-2H+K"	36.948606
"460971"	1153.747806	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M-2H+K"	36.948606
"843883"	409.215006	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-2H+K"	36.948606
"1561174"	409.215006	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+K-2H"	36.948606
"952339"	417.264594	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-H+HCOOH"	44.998194
"372740"	789.531001	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+HCOOH-H"	44.998201
"354438"	803.546651	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+Hac-H"	59.013851
"1495616"	431.280251	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Hac-H"	59.013851
"965345"	439.246551	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-H+NaCOOH"	66.980151
"117532"	407.235802	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+2Cl"	69.938804
"558185"	593.369002	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+2Cl"	69.938804
"1026986"	221.102602	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2Cl"	69.938804
"1247656"	451.185285	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Br"	78.918885
"1311200"	453.241272	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Cl+HCOOH"	80.974872
"1327603"	475.223229	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Cl+NaCOOH"	102.956829
"919755"	485.251986	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M-H+CF3COOH"	112.985586
"1292088"	521.228664	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Cl+CF3COOH"	148.962264
"1371704"	337.253724	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H-2H2O"	-35.012676
"1389940"	355.2637	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H-H2O"	-17.0027
"290721"	745.540076	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+H"	1.007276
"683142"	1117.806476	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+H"	1.007276
"1354025"	373.273676	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H"	1.007276
"128006"	373.273676	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+2H"	2.014552
"566833"	559.406876	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+2H"	2.014552
"1038912"	187.140476	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2H"	2.014552
"206081"	249.184876	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+3H"	3.021828
"646005"	373.273676	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+3H"	3.021828
"1163768"	125.096076	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+3H"	3.021828
"425704"	762.566623	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+NH4"	18.033823
"798986"	1134.833023	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+NH4"	18.033823
"1696412"	390.300223	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+NH4"	18.033823
"343959"	381.7869495	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+H+NH4"	19.041099
"734193"	567.9201495	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+H+NH4"	19.041099
"1491907"	195.6537495	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H+NH4"	19.041099
"407064"	767.522018	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+Na"	22.989218
"767332"	1139.788418	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+Na"	22.989218
"1616040"	395.255618	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Na"	22.989218
"326195"	384.264647	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+H+Na"	23.996494
"718253"	570.397847	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+H+Na"	23.996494
"1472073"	198.131447	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H+Na"	23.996494
"1063859"	132.42339	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2H+Na"	25.00377
"1266995"	405.299886	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+CH3OH+H"	33.033486
"381196"	783.495958	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+K"	38.963158
"747658"	1155.762358	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+K"	38.963158
"1540839"	411.229558	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+K"	38.963158
"301416"	392.251617	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+H+K"	39.970434
"696022"	578.384817	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+H+K"	39.970434
"1449842"	206.118417	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H+K"	39.970434
"243912"	786.566626	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+ACN+H"	42.033826
"1217715"	414.300226	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+ACN+H"	42.033826
"1201232"	207.653751	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+ACN+2H"	43.041102
"188995"	789.50396	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+2Na-H"	44.97116
"629398"	1161.77036	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+2Na-H"	44.97116
"1135346"	417.23756	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2Na-H"	44.97116
"173163"	395.255618	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+2Na"	45.978436
"616378"	581.388818	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+2Na"	45.978436
"1116841"	209.122418	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2Na"	45.978436
"1400857"	139.750704	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H+2Na"	46.985712
"1441726"	419.279146	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H+HCOOH"	47.012746
"234954"	400.28864	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+3H2O+2H"	56.04448
"1520948"	433.33119	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+IsoProp+H"	61.06479
"421365"	403.242588	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+Na+K"	61.952376
"783090"	589.375788	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+Na+K"	61.952376
"1673225"	217.109388	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Na+K"	61.952376
"257555"	808.548568	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+ACN+Na"	64.015768
"1227105"	436.282168	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+ACN+Na"	64.015768
"1720246"	436.305693	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+NH4+HCOOH"	64.039293
"1181590"	147.078018	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+3Na"	68.967654
"1651357"	441.261088	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Na+HCOOH"	68.994688
"162358"	821.45184	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+2K-H"	76.91904
"604108"	1193.71824	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+2K-H"	76.91904
"1093361"	449.18544	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2K-H"	76.91904
"150906"	411.229558	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"2M+2K"	77.926316
"594475"	597.362758	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"3M+2K"	77.926316
"1079716"	225.096358	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2K"	77.926316
"1109280"	451.199992	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2K+H"	78.933592
"1343115"	451.287607	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+DMSO+H"	79.021207
"1018935"	455.326776	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2ACN+H"	83.060376
"1533415"	456.320408	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+IsoProp+Na+H"	84.054008
"998767"	228.167026	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+2ACN+2H"	84.067652
"1594365"	457.235028	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+K+HCOOH"	84.968628
"1422211"	487.266538	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+H+CF3COOH"	115.000138
"1159060"	248.680301	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+3ACN+2H"	125.094202
"1709705"	504.293085	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+NH4+CF3COOH"	132.026685
"1647541"	509.24848	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+Na+CF3COOH"	136.98208
"1574444"	525.22242	"C15057"	"3-Ethoxyandrosta-35-dien-17beta-ol propanoate"	"C24H36O3"	"372.2664"	"M+K+CF3COOH"	152.95602
"809187"	306.2559	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M"	0
"978345"	287.23751	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"65494"	203.163324	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"508336"	305.248624	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"881763"	101.078024	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"2521"	305.248624	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"449744"	458.376574	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"822078"	152.120674	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"78785"	611.504524	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"529288"	917.760424	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"903814"	305.248624	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"56003"	628.531071	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"501641"	934.786971	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"876280"	322.275171	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"45273"	633.486466	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"485199"	939.742366	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"863615"	327.230566	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1632904"	327.230566	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"109677"	323.236963	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"544249"	476.364913	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"940683"	170.109013	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"280696"	647.481202	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"667650"	953.737102	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1277868"	341.225302	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"30270"	649.460406	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"459988"	955.716306	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"846545"	343.204506	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1567844"	343.204506	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"955367"	351.254094	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"373944"	657.510001	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"358559"	671.525651	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1495726"	365.269751	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"965455"	373.236051	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"118736"	341.225302	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"558295"	494.353252	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1027096"	188.097352	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1243756"	385.174785	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1311310"	387.230772	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1333909"	409.212729	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"924604"	419.241486	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1290374"	455.218164	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1368168"	271.243224	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1392237"	289.2532	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"293018"	613.519076	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"683252"	919.774976	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1352672"	307.263176	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"126653"	307.263176	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"567304"	460.391126	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1039021"	154.135226	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"206191"	205.177876	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"644658"	307.263176	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1164243"	103.092576	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"426057"	630.545623	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"787784"	936.801523	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1690320"	324.289723	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"345532"	315.7764495	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"736490"	468.9043995	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1492382"	162.6484995	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"405713"	635.501018	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"769226"	941.756918	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1618095"	329.245118	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"328126"	318.254147	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"720184"	471.382097	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1472911"	165.126197	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1064334"	110.41989	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1267105"	339.289386	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"384586"	651.474958	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"747769"	957.730858	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1545446"	345.219058	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"301528"	326.241117	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"697227"	479.369067	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1450317"	173.113167	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"244023"	654.545626	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1221106"	348.289726	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1202435"	174.648501	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"189593"	657.48296	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"629518"	963.73886	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1134363"	351.22706	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"173884"	329.245118	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"616488"	482.373068	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1118535"	176.117168	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1403158"	117.747204	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1438556"	353.268646	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"234087"	334.27814	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1521789"	367.32069	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"422570"	337.232088	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"784535"	490.360038	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1672241"	184.104138	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"255113"	676.527568	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1231468"	370.271668	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1717440"	370.295193	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1183159"	125.074518	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1659251"	375.250588	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"164654"	689.43084	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"607498"	995.68674	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1093471"	383.17494	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"153932"	345.219058	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"596166"	498.347008	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1082743"	192.091108	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1111579"	385.189492	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1347964"	385.277107	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1019048"	389.316276	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1537173"	390.309908	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"1004347"	195.161776	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1601038"	391.224528	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1428884"	421.256038	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1162698"	215.675051	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1712003"	438.282585	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1646558"	443.23798	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1574554"	459.21192	"C15058"	"2alpha-Methyl-5alpha-androstane-3beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"806017"	338.1518	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M"	0
"976269"	319.13341	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-H2O-H"	-19.01839
"63416"	224.427257333333	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M-3H"	-3.021828
"506260"	337.144524	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M-3H"	-3.021828
"880779"	111.709990666667	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-3H"	-3.021828
"239"	337.144524	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M-2H"	-2.014552
"445481"	506.220424	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M-2H"	-2.014552
"821095"	168.068624	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-2H"	-2.014552
"79018"	675.296324	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M-H"	-1.007276
"529398"	1013.448124	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M-H"	-1.007276
"906111"	337.144524	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-H"	-1.007276
"57206"	692.322871	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M-2H+NH4"	16.019271
"501750"	1030.474671	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M-2H+NH4"	16.019271
"876754"	354.171071	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-2H+NH4"	16.019271
"45142"	697.278266	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M-2H+Na"	20.974666
"482029"	1035.430066	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M-2H+Na"	20.974666
"863480"	359.126466	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-2H+Na"	20.974666
"1633984"	359.126466	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Na-2H"	20.974666
"109914"	355.132863	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M-H+Cl"	33.962126
"546547"	524.208763	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M-H+Cl"	33.962126
"938970"	186.056963	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-H+Cl"	33.962126
"280442"	711.273002	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+Cl"	34.969402
"665573"	1049.424802	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+Cl"	34.969402
"1279074"	373.121202	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Cl"	34.969402
"27100"	713.252206	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M-2H+K"	36.948606
"459732"	1051.404006	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M-2H+K"	36.948606
"841186"	375.100406	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-2H+K"	36.948606
"1566861"	375.100406	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+K-2H"	36.948606
"955841"	383.149994	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-H+HCOOH"	44.998194
"375148"	721.301801	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+HCOOH-H"	44.998201
"357576"	735.317451	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+Hac-H"	59.013851
"1502397"	397.165651	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Hac-H"	59.013851
"965565"	405.131951	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-H+NaCOOH"	66.980151
"119939"	373.121202	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+2Cl"	69.938804
"558405"	542.197102	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+2Cl"	69.938804
"1027206"	204.045302	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2Cl"	69.938804
"1244596"	417.070685	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Br"	78.918885
"1311420"	419.126672	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Cl+HCOOH"	80.974872
"1331103"	441.108629	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Cl+NaCOOH"	102.956829
"923255"	451.137386	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M-H+CF3COOH"	112.985586
"1292308"	487.114064	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Cl+CF3COOH"	148.962264
"1368279"	303.139124	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H-2H2O"	-35.012676
"1393440"	321.1491	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H-H2O"	-17.0027
"288754"	677.310876	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+H"	1.007276
"678989"	1015.462676	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+H"	1.007276
"1355339"	339.159076	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H"	1.007276
"127495"	339.159076	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+2H"	2.014552
"566324"	508.234976	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+2H"	2.014552
"1039130"	170.083176	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2H"	2.014552
"206667"	226.441809333333	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+3H"	3.021828
"646590"	339.159076	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+3H"	3.021828
"1165082"	113.724542666667	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+3H"	3.021828
"426896"	694.337423	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+NH4"	18.033823
"787163"	1032.489223	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+NH4"	18.033823
"1692616"	356.185623	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+NH4"	18.033823
"345274"	347.6723495	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+H+NH4"	19.041099
"735872"	516.7482495	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+H+NH4"	19.041099
"1491153"	178.5964495	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H+NH4"	19.041099
"407646"	699.292818	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+Na"	22.989218
"766818"	1037.444618	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+Na"	22.989218
"1618205"	361.141018	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Na"	22.989218
"328602"	350.150047	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+H+Na"	23.996494
"720294"	519.225947	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+H+Na"	23.996494
"1475937"	181.074147	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H+Na"	23.996494
"1062622"	121.051856666667	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2H+Na"	25.00377
"1267217"	371.185286	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+CH3OH+H"	33.033486
"385790"	715.266758	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+K"	38.963158
"748973"	1053.418558	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+K"	38.963158
"1545557"	377.114958	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+K"	38.963158
"306012"	358.137017	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+H+K"	39.970434
"698430"	527.212917	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+H+K"	39.970434
"1451156"	189.061117	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H+K"	39.970434
"244133"	718.337426	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+ACN+H"	42.033826
"1222309"	380.185626	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+ACN+H"	42.033826
"1197078"	190.596451	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+ACN+2H"	43.041102
"189134"	721.27476	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+2Na-H"	44.97116
"629507"	1059.42656	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+2Na-H"	44.97116
"1134108"	383.12296	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2Na-H"	44.97116
"174845"	361.141018	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+2Na"	45.978436
"617327"	530.216918	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+2Na"	45.978436
"1118281"	192.065118	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2Na"	45.978436
"1406548"	128.379170666667	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H+2Na"	46.985712
"1438666"	385.164546	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H+HCOOH"	47.012746
"233831"	366.17404	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+3H2O+2H"	56.04448
"1522626"	399.21659	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+IsoProp+H"	61.06479
"423286"	369.127988	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+Na+K"	61.952376
"785010"	538.203888	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+Na+K"	61.952376
"1675629"	200.052088	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Na+K"	61.952376
"254492"	740.319368	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+ACN+Na"	64.015768
"1228663"	402.167568	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+ACN+Na"	64.015768
"1716457"	402.191093	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+NH4+HCOOH"	64.039293
"1184728"	135.706484666667	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+3Na"	68.967654
"1655715"	407.146488	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Na+HCOOH"	68.994688
"161484"	753.22264	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+2K-H"	76.91904
"604328"	1091.37444	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+2K-H"	76.91904
"1093945"	415.07084	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2K-H"	76.91904
"153313"	377.114958	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"2M+2K"	77.926316
"596519"	546.190858	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"3M+2K"	77.926316
"1081760"	208.039058	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2K"	77.926316
"1110594"	417.085392	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2K+H"	78.933592
"1348802"	417.173007	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+DMSO+H"	79.021207
"1019402"	421.212176	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2ACN+H"	83.060376
"1536555"	422.205808	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+IsoProp+Na+H"	84.054008
"1004824"	211.109726	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+2ACN+2H"	84.067652
"1601391"	423.120428	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+K+HCOOH"	84.968628
"1427535"	453.151938	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+H+CF3COOH"	115.000138
"1160739"	231.623001	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+3ACN+2H"	125.094202
"1712113"	470.178485	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+NH4+CF3COOH"	132.026685
"1644481"	475.13388	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+Na+CF3COOH"	136.98208
"1574664"	491.10782	"C15059"	"224-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate"	"C21H22O4"	"338.1518"	"M+K+CF3COOH"	152.95602
"809408"	310.1569	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M"	0
"979659"	291.13851	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-H2O-H"	-19.01839
"65714"	205.763990666667	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M-3H"	-3.021828
"506371"	309.149624	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M-3H"	-3.021828
"880089"	102.378357333333	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-3H"	-3.021828
"922"	309.149624	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M-2H"	-2.014552
"445591"	464.228074	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M-2H"	-2.014552
"820476"	154.071174	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-2H"	-2.014552
"79250"	619.306524	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M-H"	-1.007276
"533654"	929.463424	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M-H"	-1.007276
"910843"	309.149624	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-H"	-1.007276
"62809"	636.333071	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M-2H+NH4"	16.019271
"502475"	946.489971	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M-2H+NH4"	16.019271
"878815"	326.176171	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-2H+NH4"	16.019271
"46347"	641.288466	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M-2H+Na"	20.974666
"486030"	951.445366	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M-2H+Na"	20.974666
"862989"	331.131566	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-2H+Na"	20.974666
"1632033"	331.131566	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Na-2H"	20.974666
"108562"	327.137963	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M-H+Cl"	33.962126
"548605"	482.216413	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M-H+Cl"	33.962126
"934706"	172.059513	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-H+Cl"	33.962126
"278729"	655.283202	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+Cl"	34.969402
"663496"	965.440102	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+Cl"	34.969402
"1284653"	345.126302	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Cl"	34.969402
"26117"	657.262406	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M-2H+K"	36.948606
"464583"	967.419306	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M-2H+K"	36.948606
"841296"	347.105506	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-2H+K"	36.948606
"1561502"	347.105506	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+K-2H"	36.948606
"955949"	355.155094	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-H+HCOOH"	44.998194
"374893"	665.312001	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+HCOOH-H"	44.998201
"359140"	679.327651	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+Hac-H"	59.013851
"1506882"	369.170751	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Hac-H"	59.013851
"968953"	377.137051	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-H+NaCOOH"	66.980151
"124666"	345.126302	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+2Cl"	69.938804
"561793"	500.204752	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+2Cl"	69.938804
"1027315"	190.047852	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2Cl"	69.938804
"1247987"	389.075785	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Br"	78.918885
"1309341"	391.131772	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Cl+HCOOH"	80.974872
"1322463"	413.113729	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Cl+NaCOOH"	102.956829
"914614"	423.142486	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M-H+CF3COOH"	112.985586
"1297886"	459.119164	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Cl+CF3COOH"	148.962264
"1370580"	275.144224	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H-2H2O"	-35.012676
"1396105"	293.1542	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H-H2O"	-17.0027
"295424"	621.321076	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+H"	1.007276
"684567"	931.477976	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+H"	1.007276
"1358730"	311.164176	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H"	1.007276
"137454"	311.164176	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+2H"	2.014552
"576647"	466.242626	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+2H"	2.014552
"1044351"	156.085726	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2H"	2.014552
"207512"	207.778542666667	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+3H"	3.021828
"646704"	311.164176	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+3H"	3.021828
"1165558"	104.392909333333	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+3H"	3.021828
"426035"	638.347623	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+NH4"	18.033823
"786543"	948.504523	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+NH4"	18.033823
"1690541"	328.190723	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+NH4"	18.033823
"344900"	319.6774495	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+H+NH4"	19.041099
"736346"	474.7558995	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+H+NH4"	19.041099
"1491875"	164.5989995	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H+NH4"	19.041099
"407760"	643.303018	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+Na"	22.989218
"767658"	953.459918	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+Na"	22.989218
"1617708"	333.146118	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Na"	22.989218
"328959"	322.155147	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+H+Na"	23.996494
"722231"	477.233597	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+H+Na"	23.996494
"1476537"	167.076697	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H+Na"	23.996494
"1067919"	111.720223333333	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2H+Na"	25.00377
"1264047"	343.190386	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+CH3OH+H"	33.033486
"383713"	659.276958	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+K"	38.963158
"749813"	969.433858	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+K"	38.963158
"1545668"	349.120058	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+K"	38.963158
"303934"	330.142117	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+H+K"	39.970434
"694167"	485.220567	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+H+K"	39.970434
"1453454"	175.063667	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H+K"	39.970434
"248617"	662.347626	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+ACN+H"	42.033826
"1219138"	352.190726	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+ACN+H"	42.033826
"1201199"	176.599001	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+ACN+2H"	43.041102
"194433"	665.28496	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+2Na-H"	44.97116
"629254"	975.44186	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+2Na-H"	44.97116
"1133490"	355.12806	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2Na-H"	44.97116
"173088"	333.146118	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+2Na"	45.978436
"622907"	488.224568	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+2Na"	45.978436
"1116446"	178.067668	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2Na"	45.978436
"1406658"	119.047537333333	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H+2Na"	46.985712
"1443881"	357.169646	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H+HCOOH"	47.012746
"234310"	338.17914	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+3H2O+2H"	56.04448
"1521642"	371.22169	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+IsoProp+H"	61.06479
"420601"	341.133088	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+Na+K"	61.952376
"781596"	496.211538	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+Na+K"	61.952376
"1675740"	186.054638	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Na+K"	61.952376
"262629"	684.329568	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+ACN+Na"	64.015768
"1236067"	374.172668	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+ACN+Na"	64.015768
"1722037"	374.196193	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+NH4+HCOOH"	64.039293
"1183745"	126.374851333333	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+3Na"	68.967654
"1661660"	379.151588	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Na+HCOOH"	68.994688
"166698"	697.23284	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+2K-H"	76.91904
"607718"	1007.38974	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+2K-H"	76.91904
"1095510"	387.07594	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2K-H"	76.91904
"155974"	349.120058	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"2M+2K"	77.926316
"596266"	504.198508	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"3M+2K"	77.926316
"1080411"	194.041608	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2K"	77.926316
"1113256"	389.090492	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2K+H"	78.933592
"1349276"	389.178107	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+DMSO+H"	79.021207
"1020606"	393.217276	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2ACN+H"	83.060376
"1539094"	394.210908	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+IsoProp+Na+H"	84.054008
"1005382"	197.112276	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+2ACN+2H"	84.067652
"1601990"	395.125528	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+K+HCOOH"	84.968628
"1429594"	425.157038	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+H+CF3COOH"	115.000138
"1162311"	217.625551	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+3ACN+2H"	125.094202
"1712105"	442.183585	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+NH4+CF3COOH"	132.026685
"1644592"	447.13898	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+Na+CF3COOH"	136.98208
"1574774"	463.11292	"C15060"	"7-Methoxy-224-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran"	"C20H22O3"	"310.1569"	"M+K+CF3COOH"	152.95602
"809518"	422.2457	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M"	0
"978674"	403.22731	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-H2O-H"	-19.01839
"63381"	280.489857333333	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M-3H"	-3.021828
"508666"	421.238424	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M-3H"	-3.021828
"882092"	139.741290666667	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-3H"	-3.021828
"420"	421.238424	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M-2H"	-2.014552
"445701"	632.361274	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M-2H"	-2.014552
"821315"	210.115574	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-2H"	-2.014552
"79360"	843.484124	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M-H"	-1.007276
"529618"	1265.729824	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M-H"	-1.007276
"910099"	421.238424	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-H"	-1.007276
"61683"	860.510671	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M-2H+NH4"	16.019271
"502725"	1282.756371	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M-2H+NH4"	16.019271
"878076"	438.264971	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-2H+NH4"	16.019271
"45604"	865.466066	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M-2H+Na"	20.974666
"485658"	1287.711766	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M-2H+Na"	20.974666
"863100"	443.220366	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-2H+Na"	20.974666
"1633726"	443.220366	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Na-2H"	20.974666
"109034"	439.226763	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M-H+Cl"	33.962126
"548351"	650.349613	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M-H+Cl"	33.962126
"938096"	228.103913	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-H+Cl"	33.962126
"274465"	879.460802	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+Cl"	34.969402
"662514"	1301.706502	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+Cl"	34.969402
"1274916"	457.215102	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Cl"	34.969402
"27320"	881.440006	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M-2H+K"	36.948606
"461413"	1303.685706	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M-2H+K"	36.948606
"845782"	459.194306	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-2H+K"	36.948606
"1565988"	459.194306	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+K-2H"	36.948606
"956428"	467.243894	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-H+HCOOH"	44.998194
"375367"	889.489601	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+HCOOH-H"	44.998201
"358890"	903.505251	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+Hac-H"	59.013851
"1507356"	481.259551	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Hac-H"	59.013851
"965783"	489.225851	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-H+NaCOOH"	66.980151
"120158"	457.215102	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+2Cl"	69.938804
"559717"	668.337952	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+2Cl"	69.938804
"1029611"	246.092252	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2Cl"	69.938804
"1244815"	501.164585	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Br"	78.918885
"1306170"	503.220572	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Cl+HCOOH"	80.974872
"1322938"	525.202529	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Cl+NaCOOH"	102.956829
"914723"	535.231286	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M-H+CF3COOH"	112.985586
"1297996"	571.207964	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Cl+CF3COOH"	148.962264
"1370690"	387.233024	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H-2H2O"	-35.012676
"1397675"	405.243	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H-H2O"	-17.0027
"297357"	845.498676	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+H"	1.007276
"687957"	1267.744376	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+H"	1.007276
"1358840"	423.252976	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H"	1.007276
"138293"	423.252976	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+2H"	2.014552
"577850"	634.375826	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+2H"	2.014552
"1044461"	212.130126	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2H"	2.014552
"209079"	282.504409333333	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+3H"	3.021828
"647909"	423.252976	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+3H"	3.021828
"1167492"	141.755842666667	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+3H"	3.021828
"426390"	862.525223	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+NH4"	18.033823
"788112"	1284.770923	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+NH4"	18.033823
"1695753"	440.279523	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+NH4"	18.033823
"344036"	431.7662495	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+H+NH4"	19.041099
"736823"	642.8890995	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+H+NH4"	19.041099
"1489551"	220.6433995	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H+NH4"	19.041099
"406776"	867.480618	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+Na"	22.989218
"766676"	1289.726318	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+Na"	22.989218
"1617941"	445.234918	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Na"	22.989218
"327365"	434.243947	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+H+Na"	23.996494
"720279"	645.366797	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+H+Na"	23.996494
"1475313"	223.121097	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H+Na"	23.996494
"1062843"	149.083156666667	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2H+Na"	25.00377
"1271083"	455.279186	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+CH3OH+H"	33.033486
"390386"	883.454558	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+K"	38.963158
"747008"	1305.700258	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+K"	38.963158
"1549059"	461.208858	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+K"	38.963158
"302951"	442.230917	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+H+K"	39.970434
"694278"	653.353767	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+H+K"	39.970434
"1455751"	231.108067	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H+K"	39.970434
"248728"	886.525226	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+ACN+H"	42.033826
"1218155"	464.279526	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+ACN+H"	42.033826
"1201309"	232.643401	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+ACN+2H"	43.041102
"193451"	889.46256	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+2Na-H"	44.97116
"634468"	1311.70826	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+2Na-H"	44.97116
"1136516"	467.21686	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2Na-H"	44.97116
"176890"	445.234918	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+2Na"	45.978436
"613165"	656.357768	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+2Na"	45.978436
"1116677"	234.112068	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2Na"	45.978436
"1407861"	156.410470666667	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H+2Na"	46.985712
"1438886"	469.258446	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H+HCOOH"	47.012746
"234785"	450.26794	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+3H2O+2H"	56.04448
"1522604"	483.31049	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+IsoProp+H"	61.06479
"421803"	453.221888	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+Na+K"	61.952376
"780612"	664.344738	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+Na+K"	61.952376
"1676943"	242.099038	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Na+K"	61.952376
"256904"	908.507168	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+ACN+Na"	64.015768
"1232896"	486.261468	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+ACN+Na"	64.015768
"1722511"	486.284993	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+NH4+HCOOH"	64.039293
"1189688"	163.737784666667	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+3Na"	68.967654
"1659215"	491.240388	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Na+HCOOH"	68.994688
"166079"	921.41044	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+2K-H"	76.91904
"606735"	1343.65614	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+2K-H"	76.91904
"1093434"	499.16474	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2K-H"	76.91904
"156327"	461.208858	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"2M+2K"	77.926316
"595281"	672.331708	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"3M+2K"	77.926316
"1082954"	250.086008	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2K"	77.926316
"1113853"	501.179292	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2K+H"	78.933592
"1347200"	501.266907	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+DMSO+H"	79.021207
"1019984"	505.306076	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2ACN+H"	83.060376
"1539083"	506.299708	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+IsoProp+Na+H"	84.054008
"1004558"	253.156676	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+2ACN+2H"	84.067652
"1601005"	507.214328	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+K+HCOOH"	84.968628
"1429584"	537.245838	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+H+CF3COOH"	115.000138
"1160235"	273.669951	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+3ACN+2H"	125.094202
"1711243"	554.272385	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+NH4+CF3COOH"	132.026685
"1649079"	559.22778	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+Na+CF3COOH"	136.98208
"1579259"	575.20172	"C15061"	"22-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate"	"C27H34O4"	"422.2457"	"M+K+CF3COOH"	152.95602
"809628"	311.1885	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M"	0
"977692"	292.17011	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-H2O-H"	-19.01839
"62916"	206.451724	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M-3H"	-3.021828
"506589"	310.181224	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M-3H"	-3.021828
"880501"	102.722224	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-3H"	-3.021828
"530"	310.181224	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M-2H"	-2.014552
"445811"	465.775474	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M-2H"	-2.014552
"820696"	154.586974	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-2H"	-2.014552
"79349"	621.369724	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M-H"	-1.007276
"519267"	932.558224	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M-H"	-1.007276
"911030"	310.181224	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-H"	-1.007276
"62045"	638.396271	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M-2H+NH4"	16.019271
"502294"	949.584771	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M-2H+NH4"	16.019271
"879278"	327.207771	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-2H+NH4"	16.019271
"44985"	643.351666	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M-2H+Na"	20.974666
"486494"	954.540166	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M-2H+Na"	20.974666
"862725"	332.163166	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-2H+Na"	20.974666
"1632980"	332.163166	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Na-2H"	20.974666
"108899"	328.169563	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M-H+Cl"	33.962126
"547851"	483.763813	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M-H+Cl"	33.962126
"934926"	172.575313	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-H+Cl"	33.962126
"272387"	657.346402	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+Cl"	34.969402
"663717"	968.534902	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+Cl"	34.969402
"1274538"	346.157902	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Cl"	34.969402
"27430"	659.325606	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M-2H+K"	36.948606
"461523"	970.514106	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M-2H+K"	36.948606
"845529"	348.137106	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-2H+K"	36.948606
"1569381"	348.137106	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+K-2H"	36.948606
"956173"	356.186694	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-H+HCOOH"	44.998194
"374384"	667.375201	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+HCOOH-H"	44.998201
"357907"	681.390851	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+Hac-H"	59.013851
"1507465"	370.202351	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Hac-H"	59.013851
"964800"	378.168651	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-H+NaCOOH"	66.980151
"124641"	346.157902	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+2Cl"	69.938804
"559827"	501.752152	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+2Cl"	69.938804
"1026438"	190.563652	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2Cl"	69.938804
"1245288"	390.107385	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Br"	78.918885
"1308463"	392.163372	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Cl+HCOOH"	80.974872
"1320130"	414.145329	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Cl+NaCOOH"	102.956829
"911915"	424.174086	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M-H+CF3COOH"	112.985586
"1298106"	460.150764	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Cl+CF3COOH"	148.962264
"1370800"	276.175824	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H-2H2O"	-35.012676
"1396690"	294.1858	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H-H2O"	-17.0027
"297104"	623.384276	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+H"	1.007276
"690861"	934.572776	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+H"	1.007276
"1358950"	312.195776	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H"	1.007276
"138398"	312.195776	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+2H"	2.014552
"573584"	467.790026	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+2H"	2.014552
"1038733"	156.601526	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2H"	2.014552
"206270"	208.466276	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+3H"	3.021828
"649478"	312.195776	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+3H"	3.021828
"1167602"	104.736776	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+3H"	3.021828
"425770"	640.410823	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+NH4"	18.033823
"788223"	951.599323	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+NH4"	18.033823
"1696228"	329.222323	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+NH4"	18.033823
"344147"	320.7090495	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+H+NH4"	19.041099
"737297"	476.3032995	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+H+NH4"	19.041099
"1489661"	165.1147995	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H+NH4"	19.041099
"407251"	645.366218	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+Na"	22.989218
"767881"	956.554718	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+Na"	22.989218
"1617568"	334.177718	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Na"	22.989218
"328452"	323.186747	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+H+Na"	23.996494
"719537"	478.780997	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+H+Na"	23.996494
"1475791"	167.592497	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H+Na"	23.996494
"1065507"	112.06409	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2H+Na"	25.00377
"1271320"	344.221986	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+CH3OH+H"	33.033486
"390861"	661.340158	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+K"	38.963158
"750398"	972.528658	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+K"	38.963158
"1549170"	350.151658	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+K"	38.963158
"308532"	331.173717	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+H+K"	39.970434
"697670"	486.767967	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+H+K"	39.970434
"1448207"	175.579467	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H+K"	39.970434
"241182"	664.410826	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+ACN+H"	42.033826
"1214256"	353.222326	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+ACN+H"	42.033826
"1198139"	177.114801	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+ACN+2H"	43.041102
"194290"	667.34816	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+2Na-H"	44.97116
"638953"	978.53666	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+2Na-H"	44.97116
"1141365"	356.15966	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2Na-H"	44.97116
"179916"	334.177718	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+2Na"	45.978436
"613764"	489.771968	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+2Na"	45.978436
"1118610"	178.583468	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2Na"	45.978436
"1407971"	119.391404	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H+2Na"	46.985712
"1438996"	358.201246	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H+HCOOH"	47.012746
"233798"	339.21074	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+3H2O+2H"	56.04448
"1520040"	372.25329	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+IsoProp+H"	61.06479
"419727"	342.164688	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+Na+K"	61.952376
"778536"	497.758938	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+Na+K"	61.952376
"1675959"	186.570438	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Na+K"	61.952376
"257015"	686.392768	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+ACN+Na"	64.015768
"1231911"	375.204268	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+ACN+Na"	64.015768
"1719704"	375.227793	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+NH4+HCOOH"	64.039293
"1183233"	126.718718	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+3Na"	68.967654
"1656045"	380.183188	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Na+HCOOH"	68.994688
"164002"	699.29604	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+2K-H"	76.91904
"604655"	1010.48454	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+2K-H"	76.91904
"1088074"	388.10754	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2K-H"	76.91904
"151452"	350.151658	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"2M+2K"	77.926316
"594294"	505.745908	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"3M+2K"	77.926316
"1075525"	194.557408	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2K"	77.926316
"1112019"	390.122092	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2K+H"	78.933592
"1351085"	390.209707	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+DMSO+H"	79.021207
"1021153"	394.248876	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2ACN+H"	83.060376
"1539563"	395.242508	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+IsoProp+Na+H"	84.054008
"1003696"	197.628076	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+2ACN+2H"	84.067652
"1601844"	396.157128	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+K+HCOOH"	84.968628
"1427869"	426.188638	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+H+CF3COOH"	115.000138
"1160344"	218.141351	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+3ACN+2H"	125.094202
"1711353"	443.215185	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+NH4+CF3COOH"	132.026685
"1648460"	448.17058	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+Na+CF3COOH"	136.98208
"1579369"	464.14452	"C15062"	"17beta-Hydroxy-3-methoxyestra-135(10)-triene-17-carbonitrile"	"C20H25NO2"	"311.1885"	"M+K+CF3COOH"	152.95602
"809737"	296.1776	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M"	0
"977802"	277.15921	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-H2O-H"	-19.01839
"63730"	196.444457333333	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M-3H"	-3.021828
"506699"	295.170324	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M-3H"	-3.021828
"881219"	97.7185906666667	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-3H"	-3.021828
"1979"	295.170324	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M-2H"	-2.014552
"440690"	443.259124	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M-2H"	-2.014552
"820439"	147.081524	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-2H"	-2.014552
"79092"	591.347924	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M-H"	-1.007276
"518893"	887.525524	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M-H"	-1.007276
"911221"	295.170324	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-H"	-1.007276
"62699"	608.374471	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M-2H+NH4"	16.019271
"502558"	904.552071	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M-2H+NH4"	16.019271
"879506"	312.196871	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-2H+NH4"	16.019271
"45825"	613.329866	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M-2H+Na"	20.974666
"486927"	909.507466	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M-2H+Na"	20.974666
"864134"	317.152266	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-2H+Na"	20.974666
"1634025"	317.152266	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Na-2H"	20.974666
"109251"	313.158663	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M-H+Cl"	33.962126
"549664"	461.247463	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M-H+Cl"	33.962126
"937223"	165.069863	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-H+Cl"	33.962126
"272497"	627.324602	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+Cl"	34.969402
"661761"	923.502202	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+Cl"	34.969402
"1274892"	331.147002	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Cl"	34.969402
"26447"	629.303806	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M-2H+K"	36.948606
"464913"	925.481406	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M-2H+K"	36.948606
"847096"	333.126206	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-2H+K"	36.948606
"1569487"	333.126206	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+K-2H"	36.948606
"955555"	341.175794	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-H+HCOOH"	44.998194
"375587"	637.353401	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+HCOOH-H"	44.998201
"360205"	651.369051	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+Hac-H"	59.013851
"1507818"	355.191451	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Hac-H"	59.013851
"972564"	363.157751	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-H+NaCOOH"	66.980151
"124751"	331.147002	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+2Cl"	69.938804
"556657"	479.235802	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+2Cl"	69.938804
"1029828"	183.058202	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2Cl"	69.938804
"1243211"	375.096485	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Br"	78.918885
"1306752"	377.152472	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Cl+HCOOH"	80.974872
"1324980"	399.134429	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Cl+NaCOOH"	102.956829
"912392"	409.163186	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M-H+CF3COOH"	112.985586
"1297123"	445.139864	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Cl+CF3COOH"	148.962264
"1374191"	261.164924	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H-2H2O"	-35.012676
"1396073"	279.1749	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H-H2O"	-17.0027
"295392"	593.362476	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+H"	1.007276
"689635"	889.540076	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+H"	1.007276
"1354686"	297.184876	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H"	1.007276
"133041"	297.184876	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+2H"	2.014552
"572599"	445.273676	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+2H"	2.014552
"1041762"	149.096076	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2H"	2.014552
"205404"	198.459009333333	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+3H"	3.021828
"645935"	297.184876	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+3H"	3.021828
"1164793"	99.7331426666667	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+3H"	3.021828
"426610"	610.389023	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+NH4"	18.033823
"788697"	906.566623	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+NH4"	18.033823
"1690872"	314.211423	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+NH4"	18.033823
"343528"	305.6981495	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+H+NH4"	19.041099
"735219"	453.7869495	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+H+NH4"	19.041099
"1492283"	157.6093495	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H+NH4"	19.041099
"407968"	615.344418	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+Na"	22.989218
"769333"	911.522018	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+Na"	22.989218
"1618121"	319.166818	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Na"	22.989218
"329169"	308.175847	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+H+Na"	23.996494
"721346"	456.264647	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+H+Na"	23.996494
"1476751"	160.087047	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H+Na"	23.996494
"1062699"	107.060456666667	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2H+Na"	25.00377
"1270574"	329.211086	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+CH3OH+H"	33.033486
"391700"	631.318358	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+K"	38.963158
"748322"	927.495958	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+K"	38.963158
"1554019"	335.140758	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+K"	38.963158
"304268"	316.162817	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+H+K"	39.970434
"694501"	464.251617	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+H+K"	39.970434
"1450505"	168.074017	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H+K"	39.970434
"239105"	634.389026	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+ACN+H"	42.033826
"1217283"	338.211426	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+ACN+H"	42.033826
"1196911"	169.609351	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+ACN+2H"	43.041102
"191848"	637.32636	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+2Na-H"	44.97116
"639063"	933.50396	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+2Na-H"	44.97116
"1142568"	341.14876	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2Na-H"	44.97116
"181485"	319.166818	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+2Na"	45.978436
"614723"	467.255618	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+2Na"	45.978436
"1116655"	171.078018	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2Na"	45.978436
"1408081"	114.387770666667	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H+2Na"	46.985712
"1443117"	343.190346	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H+HCOOH"	47.012746
"233179"	324.19984	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+3H2O+2H"	56.04448
"1521243"	357.24239	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+IsoProp+H"	61.06479
"423364"	327.153788	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+Na+K"	61.952376
"780833"	475.242588	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+Na+K"	61.952376
"1678255"	179.064988	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Na+K"	61.952376
"258218"	656.370968	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+ACN+Na"	64.015768
"1232020"	360.193368	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+ACN+Na"	64.015768
"1723094"	360.216893	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+NH4+HCOOH"	64.039293
"1182250"	121.715084666667	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+3Na"	68.967654
"1655060"	365.172288	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Na+HCOOH"	68.994688
"167390"	669.27424	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+2K-H"	76.91904
"604765"	965.45184	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+2K-H"	76.91904
"1091464"	373.09664	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2K-H"	76.91904
"151562"	335.140758	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"2M+2K"	77.926316
"593311"	483.229558	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"3M+2K"	77.926316
"1075635"	187.051958	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2K"	77.926316
"1112128"	375.111192	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2K+H"	78.933592
"1350461"	375.198807	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+DMSO+H"	79.021207
"1021183"	379.237976	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2ACN+H"	83.060376
"1539818"	380.231608	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+IsoProp+Na+H"	84.054008
"1004657"	190.122626	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+2ACN+2H"	84.067652
"1601225"	381.146228	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+K+HCOOH"	84.968628
"1428343"	411.177738	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+H+CF3COOH"	115.000138
"1159726"	210.635901	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+3ACN+2H"	125.094202
"1710006"	428.204285	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+NH4+CF3COOH"	132.026685
"1648205"	433.15968	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+Na+CF3COOH"	136.98208
"1579479"	449.13362	"C15063"	"3-Methoxy-D-homoestra-135(10)814-pentaen-17abeta-ol"	"C20H24O2"	"296.1776"	"M+K+CF3COOH"	152.95602
"809847"	344.2351	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M"	0
"979005"	325.21671	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"63600"	228.482790666667	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"506809"	343.227824	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"881329"	113.737757333333	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"996"	343.227824	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"440924"	515.345374	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"819819"	171.110274	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"79448"	687.462924	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"518678"	1031.698024	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"911207"	343.227824	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"62794"	704.489471	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"502549"	1048.724571	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"879623"	360.254371	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"46913"	709.444866	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"486803"	1053.679966	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"864040"	365.209766	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1633974"	365.209766	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"105349"	361.216163	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"549286"	533.333713	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"934051"	189.098613	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"273702"	723.439602	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"663936"	1067.674702	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1273908"	379.204502	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"26557"	725.418806	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"465023"	1069.653906	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"846113"	381.183706	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1569597"	381.183706	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"957405"	389.233294	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"373511"	733.468401	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"361207"	747.484051	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1507687"	403.248951	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"973404"	411.215251	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"125310"	379.204502	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"560047"	551.322052	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1029938"	207.086952	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1243685"	423.153985	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1306133"	425.209972	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1325454"	447.191929	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"912866"	457.220686	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1291398"	493.197364	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1377581"	309.222424	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1395455"	327.2324	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"296231"	689.477476	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"690474"	1033.712576	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1358076"	345.242376	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"133151"	345.242376	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"572709"	517.359926	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1041872"	173.124826	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"207214"	230.497342666667	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"645679"	345.242376	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1165631"	115.752309333333	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"426353"	706.504023	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"787346"	1050.739123	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1693169"	362.268923	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"344732"	353.7556495	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"734964"	525.8731995	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1492436"	181.6380995	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"408080"	711.459418	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"769318"	1055.694518	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1618371"	367.224318	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"329962"	356.233347	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"721821"	528.350897	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1476615"	184.115797	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1064995"	123.079623333333	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1269225"	377.268586	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"391081"	727.433358	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"753657"	1071.668458	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1554128"	383.198258	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"309480"	364.220317	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"700078"	536.337867	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1452803"	192.102767	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"240309"	730.504026	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1217391"	386.268926	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1195073"	193.638101	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"189891"	733.44136	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"633706"	1077.67646	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1143772"	389.20626	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"182689"	367.224318	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"614955"	539.341868	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1118829"	195.106768	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1408191"	130.406937333333	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1443591"	391.247846	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"234261"	372.25734	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1523178"	405.29989	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"423675"	375.211288	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"782036"	547.328838	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1677272"	203.093738	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"260515"	752.485968	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1234316"	408.250868	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1722112"	408.274393	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1186370"	137.734251333333	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1655170"	413.229788	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"167500"	765.38924	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"601595"	1109.62434	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1094854"	421.15414	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"149485"	383.198258	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"594514"	555.315808	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1074652"	211.080708	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1112238"	423.168692	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1350329"	423.256307	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1020686"	427.295476	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1539539"	428.289108	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"1004767"	214.151376	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1602433"	429.203728	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1429185"	459.235238	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1161782"	234.664651	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1712586"	476.261785	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1649044"	481.21718	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1579589"	497.19112	"C15064"	"17beta-(Hydroxymethyl)androst-4-en-3-one acetate"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"806677"	334.1944	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M"	0
"980209"	315.17601	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-H2O-H"	-19.01839
"63004"	221.788990666667	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M-3H"	-3.021828
"504733"	333.187124	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M-3H"	-3.021828
"881439"	110.390857333333	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-3H"	-3.021828
"740"	333.187124	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M-2H"	-2.014552
"439975"	500.284324	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M-2H"	-2.014552
"819565"	166.089924	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-2H"	-2.014552
"78787"	667.381524	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M-H"	-1.007276
"518751"	1001.575924	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M-H"	-1.007276
"910909"	333.187124	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-H"	-1.007276
"62735"	684.408071	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M-2H+NH4"	16.019271
"502777"	1018.602471	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M-2H+NH4"	16.019271
"879488"	350.213671	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-2H+NH4"	16.019271
"46737"	689.363466	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M-2H+Na"	20.974666
"486583"	1023.557866	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M-2H+Na"	20.974666
"864114"	355.169066	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-2H+Na"	20.974666
"1633633"	355.169066	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Na-2H"	20.974666
"104366"	351.175463	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M-H+Cl"	33.962126
"547939"	518.272663	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M-H+Cl"	33.962126
"933068"	184.078263	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-H+Cl"	33.962126
"273811"	703.358202	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+Cl"	34.969402
"662952"	1037.552602	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+Cl"	34.969402
"1273532"	369.163802	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Cl"	34.969402
"26667"	705.337406	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M-2H+K"	36.948606
"465133"	1039.531806	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M-2H+K"	36.948606
"845494"	371.143006	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-2H+K"	36.948606
"1569343"	371.143006	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+K-2H"	36.948606
"956139"	379.192594	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-H+HCOOH"	44.998194
"374351"	713.387001	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+HCOOH-H"	44.998201
"358597"	727.402651	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+Hac-H"	59.013851
"1506338"	393.208251	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Hac-H"	59.013851
"971328"	401.174551	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-H+NaCOOH"	66.980151
"124245"	369.163802	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+2Cl"	69.938804
"555784"	536.261002	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+2Cl"	69.938804
"1027862"	202.066602	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2Cl"	69.938804
"1242702"	413.113285	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Br"	78.918885
"1305879"	415.169272	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Cl+HCOOH"	80.974872
"1325200"	437.151229	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Cl+NaCOOH"	102.956829
"912612"	447.179986	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M-H+CF3COOH"	112.985586
"1289238"	483.156664	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Cl+CF3COOH"	148.962264
"1374411"	299.181724	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H-2H2O"	-35.012676
"1395564"	317.1917	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H-H2O"	-17.0027
"295612"	669.396076	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+H"	1.007276
"689855"	1003.590476	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+H"	1.007276
"1355999"	335.201676	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H"	1.007276
"131074"	335.201676	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+2H"	2.014552
"569903"	502.298876	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+2H"	2.014552
"1041618"	168.104476	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2H"	2.014552
"206594"	223.803542666667	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+3H"	3.021828
"646154"	335.201676	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+3H"	3.021828
"1163555"	112.405409333333	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+3H"	3.021828
"424637"	686.422623	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+NH4"	18.033823
"786122"	1020.617023	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+NH4"	18.033823
"1694368"	352.228223	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+NH4"	18.033823
"343385"	343.7149495	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+H+NH4"	19.041099
"734710"	510.8121495	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+H+NH4"	19.041099
"1492178"	176.6177495	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H+NH4"	19.041099
"407580"	691.378018	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+Na"	22.989218
"768942"	1025.572418	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+Na"	22.989218
"1617938"	357.183618	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Na"	22.989218
"328902"	346.192647	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+H+Na"	23.996494
"721931"	513.289847	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+H+Na"	23.996494
"1476239"	179.095447	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H+Na"	23.996494
"1068066"	119.732723333333	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2H+Na"	25.00377
"1268970"	367.227886	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+CH3OH+H"	33.033486
"392495"	707.351958	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+K"	38.963158
"748541"	1041.546358	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+K"	38.963158
"1551686"	373.157558	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+K"	38.963158
"308861"	354.179617	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+H+K"	39.970434
"698002"	521.276817	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+H+K"	39.970434
"1451820"	187.082417	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H+K"	39.970434
"239326"	710.422626	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+ACN+H"	42.033826
"1217501"	376.228226	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+ACN+H"	42.033826
"1204665"	188.617751	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+ACN+2H"	43.041102
"196442"	713.35996	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+2Na-H"	44.97116
"632356"	1047.55436	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+2Na-H"	44.97116
"1139508"	379.16556	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2Na-H"	44.97116
"181705"	357.183618	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+2Na"	45.978436
"612905"	524.280818	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+2Na"	45.978436
"1116755"	190.086418	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2Na"	45.978436
"1408301"	127.060037333333	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H+2Na"	46.985712
"1442607"	381.207146	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H+HCOOH"	47.012746
"234127"	362.21664	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+3H2O+2H"	56.04448
"1522922"	395.25919	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+IsoProp+H"	61.06479
"423989"	365.170588	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+Na+K"	61.952376
"785024"	532.267788	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+Na+K"	61.952376
"1677382"	198.073388	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Na+K"	61.952376
"260625"	732.404568	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+ACN+Na"	64.015768
"1234426"	398.210168	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+ACN+Na"	64.015768
"1724409"	398.233693	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+NH4+HCOOH"	64.039293
"1186480"	134.387351333333	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+3Na"	68.967654
"1655280"	403.189088	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Na+HCOOH"	68.994688
"165423"	745.30784	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+2K-H"	76.91904
"601705"	1079.50224	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+2K-H"	76.91904
"1094964"	411.11344	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2K-H"	76.91904
"150688"	373.157558	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"2M+2K"	77.926316
"590249"	540.254758	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"3M+2K"	77.926316
"1075855"	206.060358	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2K"	77.926316
"1112348"	413.127992	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2K+H"	78.933592
"1350805"	413.215607	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+DMSO+H"	79.021207
"1021219"	417.254776	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2ACN+H"	83.060376
"1538430"	418.248408	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+IsoProp+Na+H"	84.054008
"1005365"	209.131026	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+2ACN+2H"	84.067652
"1602653"	419.163028	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+K+HCOOH"	84.968628
"1429536"	449.194538	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+H+CF3COOH"	115.000138
"1162132"	229.644301	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+3ACN+2H"	125.094202
"1712049"	466.221085	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+NH4+CF3COOH"	132.026685
"1649762"	471.17648	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+Na+CF3COOH"	136.98208
"1579699"	487.15042	"C15065"	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-220-dione"	"C20H27FO3"	"334.1944"	"M+K+CF3COOH"	152.95602
"807880"	344.1776	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M"	0
"981412"	325.15921	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-H2O-H"	-19.01839
"67465"	228.444457333333	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M-3H"	-3.021828
"508122"	343.170324	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M-3H"	-3.021828
"884830"	113.718590666667	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-3H"	-3.021828
"2309"	343.170324	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M-2H"	-2.014552
"441873"	515.259124	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M-2H"	-2.014552
"822955"	171.081524	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-2H"	-2.014552
"86230"	687.347924	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M-H"	-1.007276
"523967"	1031.525524	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M-H"	-1.007276
"897029"	343.170324	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-H"	-1.007276
"61873"	704.374471	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M-2H+NH4"	16.019271
"502285"	1048.552071	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M-2H+NH4"	16.019271
"879355"	360.196871	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-2H+NH4"	16.019271
"46280"	709.329866	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M-2H+Na"	20.974666
"484259"	1053.507466	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M-2H+Na"	20.974666
"863643"	365.152266	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-2H+Na"	20.974666
"1632688"	365.152266	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Na-2H"	20.974666
"101196"	361.158663	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M-H+Cl"	33.962126
"548049"	533.247463	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M-H+Cl"	33.962126
"932085"	189.069863	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-H+Cl"	33.962126
"271368"	723.324602	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+Cl"	34.969402
"663790"	1067.502202	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+Cl"	34.969402
"1274734"	379.147002	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Cl"	34.969402
"26777"	725.303806	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M-2H+K"	36.948606
"465243"	1069.481406	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M-2H+K"	36.948606
"843051"	381.126206	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-2H+K"	36.948606
"1567630"	381.126206	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+K-2H"	36.948606
"956248"	389.175794	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-H+HCOOH"	44.998194
"375555"	733.353401	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+HCOOH-H"	44.998201
"358707"	747.369051	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+Hac-H"	59.013851
"1505719"	403.191451	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Hac-H"	59.013851
"972893"	411.157751	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-H+NaCOOH"	66.980151
"123624"	379.147002	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+2Cl"	69.938804
"552614"	551.235802	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+2Cl"	69.938804
"1024692"	207.058202	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2Cl"	69.938804
"1242448"	423.096485	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Br"	78.918885
"1305987"	425.152472	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Cl+HCOOH"	80.974872
"1321299"	447.134429	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Cl+NaCOOH"	102.956829
"913083"	457.163186	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M-H+CF3COOH"	112.985586
"1290524"	493.139864	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Cl+CF3COOH"	148.962264
"1374521"	309.164924	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H-2H2O"	-35.012676
"1395310"	327.1749	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H-H2O"	-17.0027
"296088"	689.362476	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+H"	1.007276
"690654"	1033.540076	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+H"	1.007276
"1359389"	345.184876	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H"	1.007276
"130091"	345.184876	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+2H"	2.014552
"569649"	517.273676	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+2H"	2.014552
"1041728"	173.096076	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2H"	2.014552
"205978"	230.459009333333	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+3H"	3.021828
"646630"	345.184876	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+3H"	3.021828
"1163422"	115.733142666667	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+3H"	3.021828
"424873"	706.389023	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+NH4"	18.033823
"786841"	1050.566623	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+NH4"	18.033823
"1696302"	362.211423	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+NH4"	18.033823
"342399"	353.6981495	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+H+NH4"	19.041099
"735911"	525.7869495	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+H+NH4"	19.041099
"1485725"	181.6093495	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H+NH4"	19.041099
"407690"	711.344418	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+Na"	22.989218
"767954"	1055.522018	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+Na"	22.989218
"1617517"	367.166818	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Na"	22.989218
"329379"	356.175847	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+H+Na"	23.996494
"722286"	528.264647	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+H+Na"	23.996494
"1475620"	184.087047	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H+Na"	23.996494
"1067285"	123.060456666667	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2H+Na"	25.00377
"1272243"	377.211086	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+CH3OH+H"	33.033486
"392563"	727.318358	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+K"	38.963158
"748651"	1071.495958	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+K"	38.963158
"1554349"	383.140758	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+K"	38.963158
"312740"	364.162817	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+H+K"	39.970434
"699205"	536.251617	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+H+K"	39.970434
"1456302"	192.074017	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H+K"	39.970434
"241623"	730.389026	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+ACN+H"	42.033826
"1220892"	386.211426	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+ACN+H"	42.033826
"1208546"	193.609351	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+ACN+2H"	43.041102
"198739"	733.32636	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+2Na-H"	44.97116
"632466"	1077.50396	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+2Na-H"	44.97116
"1136338"	389.14876	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2Na-H"	44.97116
"178535"	367.166818	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+2Na"	45.978436
"620284"	539.255618	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+2Na"	45.978436
"1122698"	195.078018	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2Na"	45.978436
"1402941"	130.387770666667	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H+2Na"	46.985712
"1441261"	391.190346	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H+HCOOH"	47.012746
"231324"	372.19984	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+3H2O+2H"	56.04448
"1521940"	405.24239	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+IsoProp+H"	61.06479
"422721"	375.153788	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+Na+K"	61.952376
"782623"	547.242588	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+Na+K"	61.952376
"1676763"	203.064988	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Na+K"	61.952376
"258548"	752.370968	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+ACN+Na"	64.015768
"1235629"	408.193368	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+ACN+Na"	64.015768
"1723062"	408.216893	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+NH4+HCOOH"	64.039293
"1187320"	137.715084666667	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+3Na"	68.967654
"1658305"	413.172288	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Na+HCOOH"	68.994688
"163347"	765.27424	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+2K-H"	76.91904
"601815"	1109.45184	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+2K-H"	76.91904
"1092888"	421.09664	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2K-H"	76.91904
"152621"	383.140758	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"2M+2K"	77.926316
"589266"	555.229558	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"3M+2K"	77.926316
"1075965"	211.051958	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2K"	77.926316
"1111365"	423.111192	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2K+H"	78.933592
"1347752"	423.198807	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+DMSO+H"	79.021207
"1019562"	427.237976	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2ACN+H"	83.060376
"1538538"	428.231608	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+IsoProp+Na+H"	84.054008
"1004013"	214.122626	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+2ACN+2H"	84.067652
"1598637"	429.146228	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+K+HCOOH"	84.968628
"1427578"	459.177738	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+H+CF3COOH"	115.000138
"1161146"	234.635901	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+3ACN+2H"	125.094202
"1712480"	476.204285	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+NH4+CF3COOH"	132.026685
"1644159"	481.15968	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+Na+CF3COOH"	136.98208
"1576529"	497.13362	"C15066"	"alphaalpha-Diethyl-44-bis(2-propynyloxy)stilbene"	"C24H24O2"	"344.1776"	"M+K+CF3COOH"	152.95602
"806897"	423.1965	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M"	0
"977513"	404.17811	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-H2O-H"	-19.01839
"64293"	281.123724	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M-3H"	-3.021828
"507139"	422.189224	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M-3H"	-3.021828
"883846"	140.058224	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-3H"	-3.021828
"1203"	422.189224	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M-2H"	-2.014552
"440889"	633.787474	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M-2H"	-2.014552
"818077"	210.590974	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-2H"	-2.014552
"78956"	845.385724	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M-H"	-1.007276
"519239"	1268.582224	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M-H"	-1.007276
"895869"	422.189224	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-H"	-1.007276
"62351"	862.412271	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M-2H+NH4"	16.019271
"502807"	1285.608771	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M-2H+NH4"	16.019271
"878980"	439.215771	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-2H+NH4"	16.019271
"45661"	867.367666	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M-2H+Na"	20.974666
"484735"	1290.564166	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M-2H+Na"	20.974666
"862903"	444.171166	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-2H+Na"	20.974666
"1632072"	444.171166	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Na-2H"	20.974666
"102399"	440.177563	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M-H+Cl"	33.962126
"547675"	651.775813	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M-H+Cl"	33.962126
"933290"	228.579313	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-H+Cl"	33.962126
"271844"	881.362402	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+Cl"	34.969402
"662075"	1304.558902	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+Cl"	34.969402
"1275936"	458.165902	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Cl"	34.969402
"27979"	883.341606	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M-2H+K"	36.948606
"465353"	1306.538106	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M-2H+K"	36.948606
"845347"	460.145106	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-2H+K"	36.948606
"1568469"	460.145106	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+K-2H"	36.948606
"957452"	468.194694	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-H+HCOOH"	44.998194
"376273"	891.391201	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+HCOOH-H"	44.998201
"358453"	905.406851	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+Hac-H"	59.013851
"1506194"	482.210351	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Hac-H"	59.013851
"969724"	490.176651	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-H+NaCOOH"	66.980151
"120818"	458.165902	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+2Cl"	69.938804
"552724"	669.764152	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+2Cl"	69.938804
"1024802"	246.567652	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2Cl"	69.938804
"1242194"	502.115385	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Br"	78.918885
"1305366"	504.171372	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Cl+HCOOH"	80.974872
"1320673"	526.153329	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Cl+NaCOOH"	102.956829
"913557"	536.182086	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M-H+CF3COOH"	112.985586
"1290991"	572.158764	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Cl+CF3COOH"	148.962264
"1377911"	388.183824	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H-2H2O"	-35.012676
"1396509"	406.1938	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H-H2O"	-17.0027
"296195"	847.400276	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+H"	1.007276
"689345"	1270.596776	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+H"	1.007276
"1358406"	424.203776	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H"	1.007276
"133481"	424.203776	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+2H"	2.014552
"569759"	635.802026	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+2H"	2.014552
"1041838"	212.605526	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2H"	2.014552
"205720"	283.138276	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+3H"	3.021828
"645765"	424.203776	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+3H"	3.021828
"1164017"	142.072776	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+3H"	3.021828
"425341"	864.426823	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+NH4"	18.033823
"786823"	1287.623323	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+NH4"	18.033823
"1696290"	441.230323	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+NH4"	18.033823
"343604"	432.7170495	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+H+NH4"	19.041099
"737116"	644.3152995	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+H+NH4"	19.041099
"1488021"	221.1187995	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H+NH4"	19.041099
"407070"	869.382218	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+Na"	22.989218
"767336"	1292.578718	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+Na"	22.989218
"1617627"	446.185718	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Na"	22.989218
"329732"	435.194747	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+H+Na"	23.996494
"722520"	646.792997	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+H+Na"	23.996494
"1476215"	223.596497	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H+Na"	23.996494
"1067396"	149.40009	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2H+Na"	25.00377
"1272357"	456.229986	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+CH3OH+H"	33.033486
"392513"	885.356158	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+K"	38.963158
"753750"	1308.552658	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+K"	38.963158
"1555193"	462.159658	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+K"	38.963158
"313582"	443.181717	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+H+K"	39.970434
"701867"	654.779967	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+H+K"	39.970434
"1453133"	231.583467	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H+K"	39.970434
"241733"	888.426826	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+ACN+H"	42.033826
"1217721"	465.230326	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+ACN+H"	42.033826
"1209588"	233.118801	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+ACN+2H"	43.041102
"196662"	891.36416	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+2Na-H"	44.97116
"633305"	1314.56066	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+2Na-H"	44.97116
"1136448"	468.16766	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2Na-H"	44.97116
"181925"	446.185718	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+2Na"	45.978436
"623674"	657.783968	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+2Na"	45.978436
"1120620"	234.587468	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2Na"	45.978436
"1405237"	156.727404	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H+2Na"	46.985712
"1441735"	470.209246	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H+HCOOH"	47.012746
"231434"	451.21874	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+3H2O+2H"	56.04448
"1523144"	484.26129	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+IsoProp+H"	61.06479
"423563"	454.172688	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+Na+K"	61.952376
"784193"	665.770938	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+Na+K"	61.952376
"1677239"	242.574438	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Na+K"	61.952376
"261210"	910.408768	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+ACN+Na"	64.015768
"1236470"	487.212268	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+ACN+Na"	64.015768
"1723537"	487.235793	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+NH4+HCOOH"	64.039293
"1187795"	164.054718	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+3Na"	68.967654
"1658415"	492.191188	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Na+HCOOH"	68.994688
"167102"	923.31204	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+2K-H"	76.91904
"604841"	1346.50854	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+2K-H"	76.91904
"1090446"	500.11554	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2K-H"	76.91904
"149085"	462.159658	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"2M+2K"	77.926316
"583175"	673.757908	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"3M+2K"	77.926316
"1076075"	250.561408	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2K"	77.926316
"1104909"	502.130092	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2K+H"	78.933592
"1348955"	502.217707	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+DMSO+H"	79.021207
"1020284"	506.256876	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2ACN+H"	83.060376
"1538527"	507.250508	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+IsoProp+Na+H"	84.054008
"1003880"	253.632076	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+2ACN+2H"	84.067652
"1597654"	508.165128	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+K+HCOOH"	84.968628
"1427689"	538.196638	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+H+CF3COOH"	115.000138
"1160163"	274.145351	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+3ACN+2H"	125.094202
"1712347"	555.223185	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+NH4+CF3COOH"	132.026685
"1644269"	560.17858	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+Na+CF3COOH"	136.98208
"1576639"	576.15252	"C15067"	"4-Chloro-alpha-4-2-(diethylamino)ethoxyphenyl-alpha-phenylbenzeneethanol"	"C26H30ClNO2"	"423.1965"	"M+K+CF3COOH"	152.95602
"815756"	332.1988	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M"	0
"983822"	313.18041	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"73157"	220.458590666667	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"513813"	331.191524	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"883230"	109.725657333333	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"1440"	331.191524	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"440997"	497.290924	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"819895"	165.092124	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"81707"	663.390324	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"520174"	995.589124	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"896513"	331.191524	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"60379"	680.416871	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"501643"	1012.615671	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"879341"	348.218071	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"46593"	685.372266	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"486631"	1017.571066	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"863908"	353.173466	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1633408"	353.173466	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"106157"	349.179863	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"548999"	515.279263	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"938503"	183.080463	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"270866"	699.367002	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"663287"	1031.565802	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1287479"	367.168202	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"18248"	701.346206	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"469481"	1033.545006	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"846917"	369.147406	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1568950"	369.147406	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"956960"	377.196994	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"375777"	709.395801	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"359664"	723.411451	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1505939"	391.212651	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"968740"	399.178951	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"123115"	367.168202	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"557206"	533.267602	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1026006"	201.068802	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1242056"	411.117685	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1304746"	413.173672	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1320785"	435.155629	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"916590"	445.184386	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1301324"	481.161064	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1380828"	297.186124	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1396985"	315.1961	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"294122"	665.404876	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"685448"	997.603676	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1358517"	333.206076	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"138696"	333.206076	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"577162"	499.305476	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1047418"	167.106676	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"212038"	222.473142666667	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"649410"	333.206076	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1165713"	111.740209333333	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"439074"	682.431423	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"799471"	1014.630223	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1695438"	350.232623	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"344439"	341.7193495	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"737592"	507.8187495	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1490689"	175.6199495	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"407061"	687.386818	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"767448"	1019.585618	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1616403"	355.188018	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"328627"	344.197047	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"720440"	510.296447	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1474380"	178.097647	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1066530"	119.067523333333	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1271734"	365.232286	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"391887"	703.360758	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"753613"	1035.559558	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1554570"	371.161958	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"312109"	352.184017	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"701610"	518.283417	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1448138"	186.084617	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"238563"	706.431426	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1212482"	374.232626	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1196976"	187.619951	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"196772"	709.36876	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"633779"	1041.56756	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1136191"	377.16996	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"174742"	355.188018	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"615401"	521.287418	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1118904"	189.088618	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1407537"	126.394837333333	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1442209"	379.211546	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"232633"	360.22104	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1519972"	393.26359	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"423920"	363.174988	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"784916"	529.274388	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1680755"	197.075588	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"265698"	728.413368	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1240232"	396.214568	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1727901"	396.238093	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1192647"	133.722151333333	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1663629"	401.193488	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"167210"	741.31664	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"609688"	1073.51544	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1095659"	409.11784	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"148829"	371.161958	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"588025"	537.261358	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1071077"	205.062558	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1108299"	411.132392	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1339219"	411.220007	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1012122"	415.259176	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1525629"	416.252808	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"990495"	208.133226	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1595573"	417.167428	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1422327"	447.198938	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1153708"	228.646501	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1710915"	464.225485	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1645471"	469.18088	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1573468"	485.15482	"C15068"	"17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"810397"	242.1307	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M"	0
"987212"	223.11231	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H2O-H"	-19.01839
"73267"	160.413190666667	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-3H"	-3.021828
"513923"	241.123424	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-3H"	-3.021828
"882976"	79.7029573333333	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-3H"	-3.021828
"454"	241.123424	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H"	-2.014552
"440743"	362.188774	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H"	-2.014552
"818182"	120.058074	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H"	-2.014552
"80723"	483.254124	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-H"	-1.007276
"520283"	725.384824	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-H"	-1.007276
"895893"	241.123424	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H"	-1.007276
"58302"	500.280671	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H+NH4"	16.019271
"501873"	742.411371	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H+NH4"	16.019271
"879804"	258.149971	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H+NH4"	16.019271
"47097"	505.236066	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H+Na"	20.974666
"486986"	747.366766	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H+Na"	20.974666
"864206"	263.105366	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H+Na"	20.974666
"1634079"	263.105366	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na-2H"	20.974666
"104809"	259.111763	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-H+Cl"	33.962126
"549231"	380.177113	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-H+Cl"	33.962126
"934604"	138.046413	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+Cl"	33.962126
"270976"	519.230802	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Cl"	34.969402
"663032"	761.361502	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+Cl"	34.969402
"1281269"	277.100102	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl"	34.969402
"20544"	521.210006	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M-2H+K"	36.948606
"469955"	763.340706	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M-2H+K"	36.948606
"847756"	279.079306	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-2H+K"	36.948606
"1569060"	279.079306	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K-2H"	36.948606
"958360"	287.128894	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+HCOOH"	44.998194
"376250"	529.259601	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+HCOOH-H"	44.998201
"360017"	543.275251	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Hac-H"	59.013851
"1506413"	301.144551	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Hac-H"	59.013851
"968850"	309.110851	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+NaCOOH"	66.980151
"123225"	277.100102	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2Cl"	69.938804
"557316"	398.165452	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2Cl"	69.938804
"1022836"	156.034752	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2Cl"	69.938804
"1242409"	321.049585	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Br"	78.918885
"1306313"	323.105572	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl+HCOOH"	80.974872
"1321986"	345.087529	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl+NaCOOH"	102.956829
"917793"	355.116286	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M-H+CF3COOH"	112.985586
"1301434"	391.092964	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Cl+CF3COOH"	148.962264
"1379237"	207.118024	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H-2H2O"	-35.012676
"1397096"	225.128	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H-H2O"	-17.0027
"296419"	485.268676	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H"	1.007276
"688110"	727.399376	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H"	1.007276
"1358627"	243.137976	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H"	1.007276
"138078"	243.137976	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2H"	2.014552
"576180"	364.203326	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2H"	2.014552
"1047528"	122.072626	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2H"	2.014552
"212148"	162.427742666667	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+3H"	3.021828
"650613"	243.137976	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+3H"	3.021828
"1166552"	81.7175093333333	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+3H"	3.021828
"436025"	502.295223	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+NH4"	18.033823
"798852"	744.425923	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+NH4"	18.033823
"1695913"	260.164523	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+NH4"	18.033823
"343094"	251.6512495	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H+NH4"	19.041099
"736971"	372.7165995	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H+NH4"	19.041099
"1491163"	130.5858995	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+NH4"	19.041099
"408227"	507.250618	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Na"	22.989218
"769018"	749.381318	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+Na"	22.989218
"1617118"	265.119918	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na"	22.989218
"329706"	254.128947	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H+Na"	23.996494
"719577"	375.194297	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H+Na"	23.996494
"1473397"	133.063597	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+Na"	23.996494
"1065547"	89.0448233333333	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2H+Na"	25.00377
"1271600"	275.164186	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+CH3OH+H"	33.033486
"392323"	523.224558	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+K"	38.963158
"752629"	765.355258	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+K"	38.963158
"1555045"	281.093858	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K"	38.963158
"312583"	262.115917	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+H+K"	39.970434
"701720"	383.181267	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+H+K"	39.970434
"1447884"	141.050567	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+K"	39.970434
"238673"	526.295226	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+ACN+H"	42.033826
"1212106"	284.164526	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+ACN+H"	42.033826
"1197450"	142.585901	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+ACN+2H"	43.041102
"195789"	529.23256	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2Na-H"	44.97116
"633164"	771.36326	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2Na-H"	44.97116
"1135576"	287.10186	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2Na-H"	44.97116
"176067"	265.119918	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2Na"	45.978436
"615875"	386.185268	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2Na"	45.978436
"1119015"	144.054568	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2Na"	45.978436
"1402542"	96.3721373333333	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+2Na"	46.985712
"1441954"	289.143446	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+HCOOH"	47.012746
"226181"	270.15294	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+3H2O+2H"	56.04448
"1521903"	303.19549	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+IsoProp+H"	61.06479
"421228"	273.106888	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+Na+K"	61.952376
"783683"	394.172238	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+Na+K"	61.952376
"1678186"	152.041538	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na+K"	61.952376
"264349"	548.277168	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+ACN+Na"	64.015768
"1238883"	306.146468	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+ACN+Na"	64.015768
"1726670"	306.169993	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+NH4+HCOOH"	64.039293
"1192026"	103.699451333333	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+3Na"	68.967654
"1661186"	311.125388	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na+HCOOH"	68.994688
"164767"	561.18044	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2K-H"	76.91904
"610891"	803.31114	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2K-H"	76.91904
"1093215"	319.04974	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2K-H"	76.91904
"148939"	281.093858	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"2M+2K"	77.926316
"588499"	402.159208	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"3M+2K"	77.926316
"1069607"	160.028508	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2K"	77.926316
"1108409"	321.064292	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2K+H"	78.933592
"1342609"	321.151907	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+DMSO+H"	79.021207
"1012232"	325.191076	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2ACN+H"	83.060376
"1525739"	326.184708	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+IsoProp+Na+H"	84.054008
"990280"	163.099176	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+2ACN+2H"	84.067652
"1595683"	327.099328	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K+HCOOH"	84.968628
"1423530"	357.130838	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+H+CF3COOH"	115.000138
"1153818"	183.612451	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+3ACN+2H"	125.094202
"1710661"	374.157385	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+NH4+CF3COOH"	132.026685
"1645581"	379.11278	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+Na+CF3COOH"	136.98208
"1573578"	395.08672	"C15069"	"44-(Butane-11-diyl)diphenol;11-Bis(4-hydroxyphenyl)butane"	"C16H18O2"	"242.1307"	"M+K+CF3COOH"	152.95602
"810507"	302.2246	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M"	0
"987322"	283.20621	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"73377"	200.475790666667	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"514033"	301.217324	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"881993"	99.7342573333333	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"605"	301.217324	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"440730"	452.329624	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"818653"	150.105024	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"79008"	603.441924	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"521121"	905.666524	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"896126"	301.217324	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"59505"	620.468471	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"501499"	922.693071	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"879833"	318.243871	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"47096"	625.423866	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"484945"	927.648466	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"863963"	323.199266	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1633739"	323.199266	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"107471"	319.205663	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"548125"	470.317963	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"936900"	168.093363	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"271086"	639.418602	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"662778"	941.643202	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1278099"	337.194002	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"17374"	641.397806	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"470427"	943.622406	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"848109"	339.173206	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1568077"	339.173206	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"957052"	347.222794	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"375267"	649.447401	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"360613"	663.463051	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1506523"	361.238451	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"968960"	369.204751	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"123944"	337.194002	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"559613"	488.306302	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1024403"	186.081702	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1242883"	381.143485	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1305336"	383.199472	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1321005"	405.181429	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"912433"	415.210186	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1298989"	451.186864	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1380440"	267.211924	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1397328"	285.2219	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"296529"	605.456476	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"688948"	907.681076	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1362386"	303.231876	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"136364"	303.231876	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"574102"	454.344176	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1047638"	152.119576	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"210071"	202.490342666667	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"647443"	303.231876	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1171037"	101.748809333333	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"435042"	622.483023	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"799328"	924.707623	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1693835"	320.258423	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"343569"	311.7451495	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"737203"	462.8574495	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1487263"	160.6328495	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"408091"	627.438418	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"769129"	929.663018	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1616861"	325.213818	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"326897"	314.222847	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"718594"	465.335147	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1472414"	163.110547	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1066386"	109.076123333333	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1271346"	335.258086	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"392765"	643.412358	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"753468"	945.636958	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1554791"	341.187758	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"312694"	322.209817	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"700737"	473.322117	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1447994"	171.097517	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"237690"	646.483026	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1212581"	344.258426	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1197560"	172.632851	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"193711"	649.42036	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"634367"	951.64496	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1137871"	347.19576	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"176784"	325.213818	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"616712"	476.326118	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1119853"	174.101518	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1401923"	116.403437333333	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1439877"	349.237346	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"226291"	330.24684	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1519096"	363.28939	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"421339"	333.200788	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"782335"	484.313088	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1679028"	182.088488	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"265554"	668.464968	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1239358"	366.240368	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1727508"	366.263893	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1192501"	123.730751333333	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1662754"	371.219288	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"167064"	681.36824	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"610273"	983.59284	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1093325"	379.14364	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"150142"	341.187758	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"588609"	492.300058	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1069475"	190.075458	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1108519"	381.158192	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1344905"	381.245807	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1014528"	385.284976	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1526094"	386.278608	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"991445"	193.146126	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1594700"	387.193228	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1423640"	417.224738	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1153928"	213.659401	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1711136"	434.251285	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1645691"	439.20668	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1573688"	455.18062	"C15070"	"17beta-Hydroxy-117-dimethylestr-5(10)-en-3-one"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"809524"	350.2257	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M"	0
"987432"	331.20731	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-H2O-H"	-19.01839
"73487"	232.476524	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M-3H"	-3.021828
"514143"	349.218424	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M-3H"	-3.021828
"882103"	115.734624	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-3H"	-3.021828
"796"	349.218424	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M-2H"	-2.014552
"441691"	524.331274	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M-2H"	-2.014552
"818764"	174.105574	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-2H"	-2.014552
"80579"	699.444124	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M-H"	-1.007276
"520504"	1049.669824	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M-H"	-1.007276
"896358"	349.218424	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-H"	-1.007276
"60707"	716.470671	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M-2H+NH4"	16.019271
"501247"	1066.696371	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M-2H+NH4"	16.019271
"879182"	366.244971	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-2H+NH4"	16.019271
"45738"	721.426066	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M-2H+Na"	20.974666
"485664"	1071.651766	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M-2H+Na"	20.974666
"863834"	371.200366	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-2H+Na"	20.974666
"1633612"	371.200366	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Na-2H"	20.974666
"107583"	367.206763	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M-H+Cl"	33.962126
"548358"	542.319613	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M-H+Cl"	33.962126
"935917"	192.093913	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-H+Cl"	33.962126
"267668"	735.420802	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+Cl"	34.969402
"661795"	1085.646502	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+Cl"	34.969402
"1273585"	385.195102	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Cl"	34.969402
"16633"	737.400006	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M-2H+K"	36.948606
"456189"	1087.625706	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M-2H+K"	36.948606
"847610"	387.174306	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-2H+K"	36.948606
"1570333"	387.174306	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+K-2H"	36.948606
"957810"	395.223894	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-H+HCOOH"	44.998194
"376474"	745.449601	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+HCOOH-H"	44.998201
"361184"	759.465251	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+Hac-H"	59.013851
"1505539"	409.239551	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Hac-H"	59.013851
"969070"	417.205851	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-H+NaCOOH"	66.980151
"124865"	385.195102	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+2Cl"	69.938804
"559723"	560.307952	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+2Cl"	69.938804
"1026336"	210.082252	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2Cl"	69.938804
"1242995"	429.144585	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Br"	78.918885
"1305445"	431.200572	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Cl+HCOOH"	80.974872
"1320751"	453.182529	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Cl+NaCOOH"	102.956829
"913272"	463.211286	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M-H+CF3COOH"	112.985586
"1299099"	499.187964	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Cl+CF3COOH"	148.962264
"1382451"	315.213024	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H-2H2O"	-35.012676
"1397802"	333.223	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H-H2O"	-17.0027
"296641"	701.458676	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+H"	1.007276
"688694"	1051.684376	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+H"	1.007276
"1366138"	351.232976	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H"	1.007276
"136474"	351.232976	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+2H"	2.014552
"574576"	526.345826	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+2H"	2.014552
"1047748"	176.120126	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2H"	2.014552
"213460"	234.491076	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+3H"	3.021828
"647917"	351.232976	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+3H"	3.021828
"1173333"	117.749176	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+3H"	3.021828
"436245"	718.485223	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+NH4"	18.033823
"799076"	1068.710923	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+NH4"	18.033823
"1695405"	368.259523	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+NH4"	18.033823
"343677"	359.7462495	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+H+NH4"	19.041099
"736099"	534.8590995	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+H+NH4"	19.041099
"1487372"	184.6333995	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H+NH4"	19.041099
"407149"	723.440618	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+Na"	22.989218
"768511"	1073.666318	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+Na"	22.989218
"1615515"	373.214918	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Na"	22.989218
"325915"	362.223947	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+H+Na"	23.996494
"721255"	537.336797	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+H+Na"	23.996494
"1473252"	187.111097	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H+Na"	23.996494
"1064675"	125.07649	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2H+Na"	25.00377
"1269268"	383.259186	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+CH3OH+H"	33.033486
"390396"	739.414558	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+K"	38.963158
"752361"	1089.640258	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+K"	38.963158
"1550158"	389.188858	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+K"	38.963158
"312440"	370.210917	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+H+K"	39.970434
"700847"	545.323767	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+H+K"	39.970434
"1448104"	195.098067	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H+K"	39.970434
"238891"	742.485226	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+ACN+H"	42.033826
"1211963"	392.259526	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+ACN+H"	42.033826
"1194750"	196.633401	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+ACN+2H"	43.041102
"194914"	745.42256	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+2Na-H"	44.97116
"637756"	1095.64826	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+2Na-H"	44.97116
"1137982"	395.19686	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2Na-H"	44.97116
"178354"	373.214918	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+2Na"	45.978436
"618646"	548.327768	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+2Na"	45.978436
"1121058"	198.102068	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2Na"	45.978436
"1401304"	132.403804	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H+2Na"	46.985712
"1434519"	397.238446	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H+HCOOH"	47.012746
"225308"	378.24794	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+3H2O+2H"	56.04448
"1519934"	411.29049	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+IsoProp+H"	61.06479
"421084"	381.201888	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+Na+K"	61.952376
"780253"	556.314738	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+Na+K"	61.952376
"1679139"	206.089038	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Na+K"	61.952376
"262378"	764.467168	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+ACN+Na"	64.015768
"1239706"	414.241468	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+ACN+Na"	64.015768
"1727376"	414.264993	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+NH4+HCOOH"	64.039293
"1191513"	139.731118	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+3Na"	68.967654
"1660313"	419.220388	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Na+HCOOH"	68.994688
"166081"	777.37044	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+2K-H"	76.91904
"608923"	1127.59614	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+2K-H"	76.91904
"1090155"	427.14474	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2K-H"	76.91904
"150252"	389.188858	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"2M+2K"	77.926316
"588719"	564.301708	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"3M+2K"	77.926316
"1069948"	214.076008	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2K"	77.926316
"1105348"	429.159292	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2K+H"	78.933592
"1346108"	429.246907	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+DMSO+H"	79.021207
"1014638"	433.286076	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2ACN+H"	83.060376
"1528390"	434.279708	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+IsoProp+Na+H"	84.054008
"991555"	217.146676	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+2ACN+2H"	84.067652
"1594810"	435.194328	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+K+HCOOH"	84.968628
"1422657"	465.225838	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+H+CF3COOH"	115.000138
"1150758"	237.659951	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+3ACN+2H"	125.094202
"1711245"	482.252385	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+NH4+CF3COOH"	132.026685
"1639240"	487.20778	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+Na+CF3COOH"	136.98208
"1577077"	503.18172	"C15071"	"6beta-Fluoro-5alpha-hydroxypregnane-320-dione"	"C21H31FO3"	"350.2257"	"M+K+CF3COOH"	152.95602
"807447"	302.1882	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M"	0
"987542"	283.16981	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"72504"	200.451524	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"514253"	301.180924	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"883306"	99.722124	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"1028"	301.180924	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"441801"	452.275024	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"818994"	150.086824	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"80079"	603.369124	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"519396"	905.557324	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"895976"	301.180924	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"60817"	620.395671	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"501478"	922.583871	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"878317"	318.207471	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"46738"	625.351066	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"484194"	927.539266	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"860174"	323.162866	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1629707"	323.162866	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"107690"	319.169263	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"545067"	470.263363	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"933840"	168.075163	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"267290"	639.345802	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"660048"	941.534002	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1273937"	337.157602	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"16377"	641.325006	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"455935"	943.513206	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"842617"	339.136806	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1569026"	339.136806	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"958206"	347.186394	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"376865"	649.374601	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"360834"	663.390251	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1505649"	361.202051	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"969180"	369.168351	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"122462"	337.157602	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"559833"	488.251702	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1025352"	186.063502	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1244926"	381.107085	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1304825"	383.163072	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1319955"	405.145029	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"912652"	415.173786	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1297022"	451.150464	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1381018"	267.175524	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1397788"	285.1855	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"297115"	605.383676	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"690624"	907.571876	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1366491"	303.195476	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"136948"	303.195476	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"574686"	454.289576	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1045671"	152.101376	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"213570"	202.466076	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"647660"	303.195476	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1174536"	101.736676	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"436719"	622.410223	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"798821"	924.598423	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1695151"	320.222023	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"343787"	311.7087495	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"736209"	462.8028495	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1487482"	160.6146495	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"407259"	627.365618	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"767527"	929.553818	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1615868"	325.177418	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"326753"	314.186447	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"718449"	465.280547	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1473726"	163.092347	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1064785"	109.06399	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1270594"	335.221686	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"389776"	643.339558	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"752593"	945.527758	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1550268"	341.151358	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"311821"	322.173417	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"699864"	473.267517	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1448214"	171.079317	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"241187"	646.410226	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1213530"	344.222026	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1195589"	172.614651	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"195388"	649.34756	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"636773"	951.53576	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1138092"	347.15936	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"178100"	325.177418	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"619120"	476.271518	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1122261"	174.083318	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1402142"	116.391304	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1437906"	349.200946	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"225415"	330.21044	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1514575"	363.25299	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"415356"	333.164388	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"778537"	484.258488	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1673775"	182.070288	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"261392"	668.392168	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1237381"	366.203968	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1724446"	366.227493	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1188342"	123.718618	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1657143"	371.182888	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"167285"	681.29544	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"607940"	983.48364	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1092451"	379.10724	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"147080"	341.151358	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"582388"	492.245458	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1069327"	190.057258	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1102178"	381.121792	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1346218"	381.209407	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1011468"	385.248576	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1526313"	386.242208	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"990202"	193.127926	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1593825"	387.156828	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1421672"	417.188338	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1148679"	213.641201	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1699325"	434.214885	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1634608"	439.17028	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1571352"	455.14422	"C15072"	"6beta19-Epoxy-17beta-hydroxyandrost-4-en-3-one"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"804277"	330.1387	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M"	0
"989566"	311.12031	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-H2O-H"	-19.01839
"72614"	219.085190666667	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M-3H"	-3.021828
"514363"	329.131424	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M-3H"	-3.021828
"883416"	109.038957333333	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-3H"	-3.021828
"2352"	329.131424	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M-2H"	-2.014552
"443004"	494.200774	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M-2H"	-2.014552
"818983"	164.062074	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-2H"	-2.014552
"80311"	659.270124	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M-H"	-1.007276
"521087"	989.408824	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M-H"	-1.007276
"897063"	329.131424	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-H"	-1.007276
"57647"	676.296671	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M-2H+NH4"	16.019271
"502691"	1006.435371	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M-2H+NH4"	16.019271
"878908"	346.157971	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-2H+NH4"	16.019271
"46934"	681.252066	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M-2H+Na"	20.974666
"483575"	1011.390766	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M-2H+Na"	20.974666
"859193"	351.113366	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-2H+Na"	20.974666
"1628725"	351.113366	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Na-2H"	20.974666
"106344"	347.119763	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M-H+Cl"	33.962126
"545905"	512.189113	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M-H+Cl"	33.962126
"933950"	182.050413	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-H+Cl"	33.962126
"267766"	695.246802	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+Cl"	34.969402
"662015"	1025.385502	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+Cl"	34.969402
"1274046"	365.108102	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Cl"	34.969402
"16282"	697.226006	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M-2H+K"	36.948606
"456532"	1027.364706	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M-2H+K"	36.948606
"842727"	367.087306	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-2H+K"	36.948606
"1570838"	367.087306	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+K-2H"	36.948606
"957992"	375.136894	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-H+HCOOH"	44.998194
"376802"	705.275601	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+HCOOH-H"	44.998201
"361295"	719.291251	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+Hac-H"	59.013851
"1505759"	389.152551	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Hac-H"	59.013851
"969290"	397.118851	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-H+NaCOOH"	66.980151
"124273"	365.108102	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+2Cl"	69.938804
"559943"	530.177452	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+2Cl"	69.938804
"1026555"	200.038752	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2Cl"	69.938804
"1246132"	409.057585	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Br"	78.918885
"1305420"	411.113572	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Cl+HCOOH"	80.974872
"1320608"	433.095529	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Cl+NaCOOH"	102.956829
"912397"	443.124286	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M-H+CF3COOH"	112.985586
"1299319"	479.100964	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Cl+CF3COOH"	148.962264
"1381858"	295.126024	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H-2H2O"	-35.012676
"1398149"	313.136	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H-H2O"	-17.0027
"298277"	661.284676	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+H"	1.007276
"690006"	991.423376	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+H"	1.007276
"1366727"	331.145976	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H"	1.007276
"136694"	331.145976	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+2H"	2.014552
"573703"	496.215326	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+2H"	2.014552
"1048334"	166.076626	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2H"	2.014552
"213681"	221.099742666667	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+3H"	3.021828
"647773"	331.145976	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+3H"	3.021828
"1173553"	111.053509333333	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+3H"	3.021828
"435736"	678.311223	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+NH4"	18.033823
"800629"	1008.449923	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+NH4"	18.033823
"1695989"	348.172523	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+NH4"	18.033823
"345356"	339.6592495	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+H+NH4"	19.041099
"737411"	504.7285995	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+H+NH4"	19.041099
"1491601"	174.5898995	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H+NH4"	19.041099
"407854"	683.266618	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+Na"	22.989218
"768732"	1013.405318	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+Na"	22.989218
"1617683"	353.127918	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Na"	22.989218
"329415"	342.136947	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+H+Na"	23.996494
"717103"	507.206297	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+H+Na"	23.996494
"1474202"	177.067597	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H+Na"	23.996494
"1068055"	118.380823333333	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2H+Na"	25.00377
"1271433"	363.172186	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+CH3OH+H"	33.033486
"392317"	699.240558	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+K"	38.963158
"753960"	1029.379258	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+K"	38.963158
"1550378"	369.101858	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+K"	38.963158
"309740"	350.123917	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+H+K"	39.970434
"697787"	515.193267	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+H+K"	39.970434
"1448688"	185.054567	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H+K"	39.970434
"242389"	702.311226	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+ACN+H"	42.033826
"1214006"	372.172526	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+ACN+H"	42.033826
"1200076"	186.589901	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+ACN+2H"	43.041102
"196227"	705.24856	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+2Na-H"	44.97116
"636882"	1035.38726	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+2Na-H"	44.97116
"1141118"	375.10986	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2Na-H"	44.97116
"179304"	353.127918	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+2Na"	45.978436
"621052"	518.197268	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+2Na"	45.978436
"1122371"	188.058568	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2Na"	45.978436
"1404075"	125.708137333333	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H+2Na"	46.985712
"1433276"	377.151446	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H+HCOOH"	47.012746
"223703"	358.16094	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+3H2O+2H"	56.04448
"1515778"	391.20349	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+IsoProp+H"	61.06479
"415466"	361.114888	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+Na+K"	61.952376
"774272"	526.184238	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+Na+K"	61.952376
"1672790"	196.045538	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Na+K"	61.952376
"264054"	724.293168	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+ACN+Na"	64.015768
"1232021"	394.154468	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+ACN+Na"	64.015768
"1725284"	394.177993	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+NH4+HCOOH"	64.039293
"1189545"	133.035451333333	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+3Na"	68.967654
"1658346"	399.133388	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Na+HCOOH"	68.994688
"167395"	737.19644	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+2K-H"	76.91904
"605863"	1067.33514	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+2K-H"	76.91904
"1092561"	407.05774	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2K-H"	76.91904
"148284"	369.101858	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"2M+2K"	77.926316
"583471"	534.171208	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"3M+2K"	77.926316
"1068544"	204.032508	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2K"	77.926316
"1102288"	409.072292	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2K+H"	78.933592
"1345235"	409.159907	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+DMSO+H"	79.021207
"1011578"	413.199076	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2ACN+H"	83.060376
"1528610"	414.192708	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+IsoProp+Na+H"	84.054008
"990191"	207.103176	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+2ACN+2H"	84.067652
"1593935"	415.107328	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+K+HCOOH"	84.968628
"1422877"	445.138838	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+H+CF3COOH"	115.000138
"1154258"	227.616451	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+3ACN+2H"	125.094202
"1698342"	462.165385	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+NH4+CF3COOH"	132.026685
"1639460"	467.12078	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+Na+CF3COOH"	136.98208
"1571504"	483.09472	"C15073"	"17alpha-Chloroethynylestradiol;21-Chloro-19-nor-17alpha-pregna-135(10)-trien-20-yne-317-diol"	"C20H23ClO2"	"330.1387"	"M+K+CF3COOH"	152.95602
"815321"	306.1995	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M"	0
"987762"	287.18111	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-H2O-H"	-19.01839
"70537"	203.125724	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M-3H"	-3.021828
"514473"	305.192224	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M-3H"	-3.021828
"883161"	101.059224	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-3H"	-3.021828
"1489"	305.192224	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M-2H"	-2.014552
"443114"	458.291974	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M-2H"	-2.014552
"822373"	152.092474	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-2H"	-2.014552
"80907"	611.391724	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M-H"	-1.007276
"521560"	917.591224	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M-H"	-1.007276
"898997"	305.192224	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-H"	-1.007276
"57757"	628.418271	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M-2H+NH4"	16.019271
"502472"	934.617771	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M-2H+NH4"	16.019271
"879915"	322.218771	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-2H+NH4"	16.019271
"47071"	633.373666	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M-2H+Na"	20.974666
"486603"	939.573166	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M-2H+Na"	20.974666
"860396"	327.174166	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-2H+Na"	20.974666
"1627743"	327.174166	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Na-2H"	20.974666
"105361"	323.180563	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M-H+Cl"	33.962126
"548201"	476.280313	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M-H+Cl"	33.962126
"935153"	170.080813	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-H+Cl"	33.962126
"269338"	647.368402	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+Cl"	34.969402
"663581"	953.567902	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+Cl"	34.969402
"1275374"	341.168902	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Cl"	34.969402
"17807"	649.347606	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M-2H+K"	36.948606
"457248"	955.547106	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M-2H+K"	36.948606
"846117"	343.148106	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-2H+K"	36.948606
"1568519"	343.148106	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+K-2H"	36.948606
"958186"	351.197694	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-H+HCOOH"	44.998194
"376071"	657.397201	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+HCOOH-H"	44.998201
"361052"	671.412851	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+Hac-H"	59.013851
"1504047"	365.213351	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Hac-H"	59.013851
"970493"	373.179651	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-H+NaCOOH"	66.980151
"120495"	341.168902	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+2Cl"	69.938804
"561147"	494.268652	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+2Cl"	69.938804
"1026665"	188.069152	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2Cl"	69.938804
"1245149"	385.118385	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Br"	78.918885
"1306506"	387.174372	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Cl+HCOOH"	80.974872
"1325096"	409.156329	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Cl+NaCOOH"	102.956829
"912874"	419.185086	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M-H+CF3COOH"	112.985586
"1300887"	455.161764	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Cl+CF3COOH"	148.962264
"1381605"	271.186824	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H-2H2O"	-35.012676
"1397647"	289.1968	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H-H2O"	-17.0027
"294778"	613.406276	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+H"	1.007276
"682824"	919.605776	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+H"	1.007276
"1365372"	307.206776	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H"	1.007276
"137532"	307.206776	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+2H"	2.014552
"573813"	460.306526	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+2H"	2.014552
"1044797"	154.107026	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2H"	2.014552
"210510"	205.140276	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+3H"	3.021828
"648247"	307.206776	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+3H"	3.021828
"1172570"	103.073776	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+3H"	3.021828
"435846"	630.432823	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+NH4"	18.033823
"800981"	936.632323	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+NH4"	18.033823
"1695367"	324.233323	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+NH4"	18.033823
"341454"	315.7200495	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+H+NH4"	19.041099
"734967"	468.8197995	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+H+NH4"	19.041099
"1491226"	162.6202995	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H+NH4"	19.041099
"408291"	635.388218	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+Na"	22.989218
"768477"	941.587718	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+Na"	22.989218
"1618349"	329.188718	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Na"	22.989218
"329646"	318.197747	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+H+Na"	23.996494
"720127"	471.297497	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+H+Na"	23.996494
"1475769"	165.097997	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H+Na"	23.996494
"1068084"	110.40109	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2H+Na"	25.00377
"1272601"	339.232986	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+CH3OH+H"	33.033486
"391813"	651.362158	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+K"	38.963158
"751715"	957.561658	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+K"	38.963158
"1549392"	345.162658	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+K"	38.963158
"304381"	326.184717	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+H+K"	39.970434
"697897"	479.284467	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+H+K"	39.970434
"1450622"	173.084967	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H+K"	39.970434
"242501"	654.432826	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+ACN+H"	42.033826
"1220678"	348.233326	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+ACN+H"	42.033826
"1206384"	174.620301	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+ACN+2H"	43.041102
"197431"	657.37016	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+2Na-H"	44.97116
"643798"	963.56966	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+2Na-H"	44.97116
"1142322"	351.17066	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2Na-H"	44.97116
"180873"	329.188718	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+2Na"	45.978436
"620799"	482.288468	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+2Na"	45.978436
"1126855"	176.088968	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2Na"	45.978436
"1403820"	117.728404	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H+2Na"	46.985712
"1435209"	353.212246	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H+HCOOH"	47.012746
"224906"	334.22174	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+3H2O+2H"	56.04448
"1515888"	367.26429	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+IsoProp+H"	61.06479
"418856"	337.175688	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+Na+K"	61.952376
"779849"	490.275438	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+Na+K"	61.952376
"1672900"	184.075938	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Na+K"	61.952376
"264164"	676.414768	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+ACN+Na"	64.015768
"1235411"	370.215268	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+ACN+Na"	64.015768
"1725395"	370.238793	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+NH4+HCOOH"	64.039293
"1192939"	125.055718	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+3Na"	68.967654
"1662830"	375.194188	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Na+HCOOH"	68.994688
"170665"	689.31804	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+2K-H"	76.91904
"605974"	995.51754	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+2K-H"	76.91904
"1097045"	383.11854	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2K-H"	76.91904
"149488"	345.162658	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"2M+2K"	77.926316
"589048"	498.262408	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"3M+2K"	77.926316
"1073560"	192.062908	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2K"	77.926316
"1102398"	385.133092	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2K+H"	78.933592
"1342065"	385.220707	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+DMSO+H"	79.021207
"1016062"	389.259876	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2ACN+H"	83.060376
"1525804"	390.253508	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+IsoProp+Na+H"	84.054008
"991396"	195.133576	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+2ACN+2H"	84.067652
"1591858"	391.168128	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+K+HCOOH"	84.968628
"1422987"	421.199638	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+H+CF3COOH"	115.000138
"1154368"	215.646851	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+3ACN+2H"	125.094202
"1701732"	438.226185	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+NH4+CF3COOH"	132.026685
"1636290"	443.18158	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+Na+CF3COOH"	136.98208
"1571695"	459.15552	"C15074"	"16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one"	"C19H27FO2"	"306.1995"	"M+K+CF3COOH"	152.95602
"811057"	168.0587	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M"	0
"988238"	149.04031	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-H2O-H"	-19.01839
"70647"	111.031857333333	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M-3H"	-3.021828
"511303"	167.051424	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M-3H"	-3.021828
"883636"	55.0122906666667	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-3H"	-3.021828
"1118"	167.051424	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M-2H"	-2.014552
"441404"	251.080774	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M-2H"	-2.014552
"820662"	83.022074	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-2H"	-2.014552
"81749"	335.110124	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M-H"	-1.007276
"520214"	503.168824	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M-H"	-1.007276
"899109"	167.051424	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-H"	-1.007276
"49109"	352.136671	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M-2H+NH4"	16.019271
"502626"	520.195371	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M-2H+NH4"	16.019271
"879838"	184.077971	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-2H+NH4"	16.019271
"46998"	357.092066	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M-2H+Na"	20.974666
"486265"	525.150766	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M-2H+Na"	20.974666
"864073"	189.033366	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-2H+Na"	20.974666
"1634014"	189.033366	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Na-2H"	20.974666
"109361"	185.039763	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M-H+Cl"	33.962126
"548311"	269.069113	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M-H+Cl"	33.962126
"937450"	101.010413	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-H+Cl"	33.962126
"272000"	371.086802	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+Cl"	34.969402
"665151"	539.145502	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+Cl"	34.969402
"1278647"	203.028102	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Cl"	34.969402
"16339"	373.066006	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M-2H+K"	36.948606
"456754"	541.124706	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M-2H+K"	36.948606
"847686"	205.007306	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-2H+K"	36.948606
"1568997"	205.007306	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+K-2H"	36.948606
"958325"	213.056894	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-H+HCOOH"	44.998194
"376427"	381.115601	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+HCOOH-H"	44.998201
"361204"	395.131251	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+Hac-H"	59.013851
"1505251"	227.072551	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Hac-H"	59.013851
"969510"	235.038851	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-H+NaCOOH"	66.980151
"120605"	203.028102	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+2Cl"	69.938804
"560163"	287.057452	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+2Cl"	69.938804
"1025683"	118.998752	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2Cl"	69.938804
"1244530"	246.977585	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Br"	78.918885
"1308803"	249.033572	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Cl+HCOOH"	80.974872
"1326300"	271.015529	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Cl+NaCOOH"	102.956829
"914078"	281.044286	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M-H+CF3COOH"	112.985586
"1300997"	317.020964	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Cl+CF3COOH"	148.962264
"1380621"	133.046024	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H-2H2O"	-35.012676
"1397879"	151.056	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H-H2O"	-17.0027
"298536"	337.124676	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+H"	1.007276
"690593"	505.183376	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+H"	1.007276
"1366214"	169.065976	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H"	1.007276
"136550"	169.065976	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+2H"	2.014552
"575016"	253.095326	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+2H"	2.014552
"1047094"	85.036626	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2H"	2.014552
"210620"	113.046409333333	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+3H"	3.021828
"648357"	169.065976	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+3H"	3.021828
"1172680"	57.0268426666667	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+3H"	3.021828
"437051"	354.151223	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+NH4"	18.033823
"800848"	522.209923	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+NH4"	18.033823
"1696861"	186.092523	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+NH4"	18.033823
"344362"	177.5792495	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+H+NH4"	19.041099
"737630"	261.6085995	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+H+NH4"	19.041099
"1491823"	93.5498995	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H+NH4"	19.041099
"408036"	359.106618	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+Na"	22.989218
"769687"	527.165318	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+Na"	22.989218
"1618266"	191.047918	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Na"	22.989218
"328785"	180.056947	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+H+Na"	23.996494
"721697"	264.086297	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+H+Na"	23.996494
"1475152"	96.027597	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H+Na"	23.996494
"1068282"	64.3541566666667	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2H+Na"	25.00377
"1272648"	201.092186	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+CH3OH+H"	33.033486
"392335"	375.080558	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+K"	38.963158
"753935"	543.139258	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+K"	38.963158
"1554850"	207.021858	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+K"	38.963158
"308865"	188.043917	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+H+K"	39.970434
"698007"	272.073267	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+H+K"	39.970434
"1451827"	104.014567	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H+K"	39.970434
"240789"	378.151226	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+ACN+H"	42.033826
"1220788"	210.092526	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+ACN+H"	42.033826
"1204672"	105.549901	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+ACN+2H"	43.041102
"197541"	381.08856	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+2Na-H"	44.97116
"643179"	549.14726	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+2Na-H"	44.97116
"1143525"	213.02986	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2Na-H"	44.97116
"181711"	191.047918	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+2Na"	45.978436
"621637"	275.077268	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+2Na"	45.978436
"1125872"	107.018568	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2Na"	45.978436
"1402473"	71.6814706666667	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H+2Na"	46.985712
"1434226"	215.071446	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H+HCOOH"	47.012746
"224652"	196.08094	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+3H2O+2H"	56.04448
"1515997"	229.12349	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+IsoProp+H"	61.06479
"416779"	199.034888	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+Na+K"	61.952376
"779959"	283.064238	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+Na+K"	61.952376
"1670822"	115.005538	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Na+K"	61.952376
"256248"	400.133168	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+ACN+Na"	64.015768
"1229683"	232.074468	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+ACN+Na"	64.015768
"1725503"	232.097993	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+NH4+HCOOH"	64.039293
"1190860"	79.0087846666667	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+3Na"	68.967654
"1664762"	237.053388	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Na+HCOOH"	68.994688
"171868"	413.03644	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+2K-H"	76.91904
"612564"	581.09514	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+2K-H"	76.91904
"1098977"	244.97774	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2K-H"	76.91904
"151783"	207.021858	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"2M+2K"	77.926316
"588065"	291.051208	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"3M+2K"	77.926316
"1073670"	122.992508	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2K"	77.926316
"1105788"	246.992292	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2K+H"	78.933592
"1345456"	247.079907	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+DMSO+H"	79.021207
"1008881"	251.119076	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2ACN+H"	83.060376
"1526033"	252.112708	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+IsoProp+Na+H"	84.054008
"992723"	126.063176	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+2ACN+2H"	84.067652
"1593062"	253.027328	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+K+HCOOH"	84.968628
"1423097"	283.058838	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+H+CF3COOH"	115.000138
"1154478"	146.576451	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+3ACN+2H"	125.094202
"1701842"	300.085385	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+NH4+CF3COOH"	132.026685
"1636400"	305.04078	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+Na+CF3COOH"	136.98208
"1572774"	321.01472	"C15075"	"3-Fluoro-1-(4-hydroxyphenyl)-1-propanone"	"C9H9FO2"	"168.0587"	"M+K+CF3COOH"	152.95602
"804607"	342.1103	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M"	0
"986889"	323.09191	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-H2O-H"	-19.01839
"70757"	227.066257333333	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M-3H"	-3.021828
"512506"	341.103024	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M-3H"	-3.021828
"883746"	113.029490666667	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-3H"	-3.021828
"1224"	341.103024	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M-2H"	-2.014552
"444428"	512.158174	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M-2H"	-2.014552
"820774"	170.047874	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-2H"	-2.014552
"82950"	683.213324	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M-H"	-1.007276
"522512"	1025.323624	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M-H"	-1.007276
"902499"	341.103024	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-H"	-1.007276
"50311"	700.239871	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M-2H+NH4"	16.019271
"493160"	1042.350171	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M-2H+NH4"	16.019271
"877406"	358.129571	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-2H+NH4"	16.019271
"46404"	705.195266	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M-2H+Na"	20.974666
"486665"	1047.305566	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M-2H+Na"	20.974666
"863941"	363.084966	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-2H+Na"	20.974666
"1632333"	363.084966	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Na-2H"	20.974666
"109350"	359.091363	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M-H+Cl"	33.962126
"542954"	530.146513	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M-H+Cl"	33.962126
"934280"	188.036213	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-H+Cl"	33.962126
"278310"	719.190002	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+Cl"	34.969402
"668543"	1061.300302	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+Cl"	34.969402
"1275479"	377.079702	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Cl"	34.969402
"15923"	721.169206	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M-2H+K"	36.948606
"455886"	1063.279506	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M-2H+K"	36.948606
"847560"	379.058906	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-2H+K"	36.948606
"1569469"	379.058906	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+K-2H"	36.948606
"958130"	387.108494	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-H+HCOOH"	44.998194
"371926"	729.218801	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+HCOOH-H"	44.998201
"360911"	743.234451	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+Hac-H"	59.013851
"1507553"	401.124151	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Hac-H"	59.013851
"973275"	409.090451	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-H+NaCOOH"	66.980151
"123875"	377.079702	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+2Cl"	69.938804
"562461"	548.134852	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+2Cl"	69.938804
"1025794"	206.024552	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2Cl"	69.938804
"1242819"	421.029185	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Br"	78.918885
"1307822"	423.085172	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Cl+HCOOH"	80.974872
"1322037"	445.067129	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Cl+NaCOOH"	102.956829
"922940"	455.095886	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M-H+CF3COOH"	112.985586
"1297464"	491.072564	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Cl+CF3COOH"	148.962264
"1382689"	307.097624	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H-2H2O"	-35.012676
"1398189"	325.1076	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H-H2O"	-17.0027
"298281"	685.227876	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+H"	1.007276
"690703"	1027.338176	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+H"	1.007276
"1366984"	343.117576	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H"	1.007276
"140671"	343.117576	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+2H"	2.014552
"578044"	514.172726	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+2H"	2.014552
"1046841"	172.062426	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2H"	2.014552
"211824"	229.080809333333	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+3H"	3.021828
"648467"	343.117576	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+3H"	3.021828
"1173883"	115.044042666667	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+3H"	3.021828
"436432"	702.254423	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+NH4"	18.033823
"800352"	1044.364723	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+NH4"	18.033823
"1696562"	360.144123	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+NH4"	18.033823
"344229"	351.6308495	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+H+NH4"	19.041099
"737740"	522.6859995	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+H+NH4"	19.041099
"1492549"	180.5756995	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H+NH4"	19.041099
"408108"	707.209818	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+Na"	22.989218
"769593"	1049.320118	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+Na"	22.989218
"1617525"	365.099518	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Na"	22.989218
"329512"	354.108547	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+H+Na"	23.996494
"722259"	525.163697	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+H+Na"	23.996494
"1474172"	183.053397	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H+Na"	23.996494
"1068187"	122.371356666667	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2H+Na"	25.00377
"1271886"	375.143786	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+CH3OH+H"	33.033486
"391918"	723.183758	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+K"	38.963158
"753275"	1065.294058	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+K"	38.963158
"1551801"	381.073458	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+K"	38.963158
"312626"	362.095517	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+H+K"	39.970434
"703585"	533.150667	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+H+K"	39.970434
"1453031"	191.040367	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H+K"	39.970434
"241630"	726.254426	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+ACN+H"	42.033826
"1215796"	384.144126	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+ACN+H"	42.033826
"1199313"	192.575701	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+ACN+2H"	43.041102
"194737"	729.19176	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+2Na-H"	44.97116
"638307"	1071.30206	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+2Na-H"	44.97116
"1140719"	387.08146	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2Na-H"	44.97116
"180729"	365.099518	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+2Na"	45.978436
"620655"	536.154668	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+2Na"	45.978436
"1121610"	194.044368	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2Na"	45.978436
"1406225"	129.698670666667	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H+2Na"	46.985712
"1434333"	389.123046	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H+HCOOH"	47.012746
"221840"	370.13254	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+3H2O+2H"	56.04448
"1510635"	403.17509	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+IsoProp+H"	61.06479
"416885"	373.086488	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+Na+K"	61.952376
"780798"	544.141638	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+Na+K"	61.952376
"1672026"	202.031338	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Na+K"	61.952376
"255265"	748.236368	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+ACN+Na"	64.015768
"1236360"	406.126068	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+ACN+Na"	64.015768
"1728430"	406.149593	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+NH4+HCOOH"	64.039293
"1190970"	137.025984666667	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+3Na"	68.967654
"1662685"	411.104988	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Na+HCOOH"	68.994688
"171008"	761.13964	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+2K-H"	76.91904
"612704"	1103.24994	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+2K-H"	76.91904
"1095080"	419.02934	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2K-H"	76.91904
"149706"	381.073458	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"2M+2K"	77.926316
"587082"	552.128608	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"3M+2K"	77.926316
"1075969"	210.018308	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2K"	77.926316
"1109180"	421.043892	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2K+H"	78.933592
"1340462"	421.131507	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+DMSO+H"	79.021207
"1010086"	425.170676	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2ACN+H"	83.060376
"1525657"	426.164308	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+IsoProp+Na+H"	84.054008
"998670"	213.088976	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+2ACN+2H"	84.067652
"1599734"	427.078928	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+K+HCOOH"	84.968628
"1421020"	457.110438	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+H+CF3COOH"	115.000138
"1150214"	233.602251	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+3ACN+2H"	125.094202
"1705234"	474.136985	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+NH4+CF3COOH"	132.026685
"1639791"	479.09238	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+Na+CF3COOH"	136.98208
"1571673"	495.06632	"C15076"	"3-(4-Methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;5674-Tetramethoxyisoflavone"	"C19H18O6"	"342.1103"	"M+K+CF3COOH"	152.95602
"804717"	272.0507	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M"	0
"979342"	253.03231	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-H2O-H"	-19.01839
"65399"	180.359857333333	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M-3H"	-3.021828
"512616"	271.043424	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M-3H"	-3.021828
"883856"	89.6762906666667	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-3H"	-3.021828
"565"	271.043424	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M-2H"	-2.014552
"443445"	407.068774	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M-2H"	-2.014552
"820154"	135.018074	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-2H"	-2.014552
"81967"	543.094124	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M-H"	-1.007276
"523715"	815.144824	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M-H"	-1.007276
"901515"	271.043424	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-H"	-1.007276
"53703"	560.120671	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M-2H+NH4"	16.019271
"493270"	832.171371	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M-2H+NH4"	16.019271
"873261"	288.069971	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-2H+NH4"	16.019271
"45664"	565.076066	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M-2H+Na"	20.974666
"485112"	837.126766	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M-2H+Na"	20.974666
"863762"	293.025366	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-2H+Na"	20.974666
"1633293"	293.025366	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Na-2H"	20.974666
"109702"	289.031763	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M-H+Cl"	33.962126
"546343"	425.057113	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M-H+Cl"	33.962126
"933297"	153.006413	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-H+Cl"	33.962126
"279513"	579.070802	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+Cl"	34.969402
"667560"	851.121502	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+Cl"	34.969402
"1275589"	307.020102	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Cl"	34.969402
"15866"	581.050006	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M-2H+K"	36.948606
"455746"	853.100706	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M-2H+K"	36.948606
"840978"	308.999306	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-2H+K"	36.948606
"1570065"	308.999306	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+K-2H"	36.948606
"957948"	317.048894	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-H+HCOOH"	44.998194
"376648"	589.099601	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+HCOOH-H"	44.998201
"360048"	603.115251	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+Hac-H"	59.013851
"1506934"	331.064551	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Hac-H"	59.013851
"972288"	339.030851	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-H+NaCOOH"	66.980151
"125199"	307.020102	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+2Cl"	69.938804
"563300"	443.045452	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+2Cl"	69.938804
"1022988"	170.994752	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2Cl"	69.938804
"1243294"	350.969585	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Br"	78.918885
"1305744"	353.025572	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Cl+HCOOH"	80.974872
"1322147"	375.007529	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Cl+NaCOOH"	102.956829
"914297"	385.036286	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M-H+CF3COOH"	112.985586
"1299030"	421.012964	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Cl+CF3COOH"	148.962264
"1377920"	237.038024	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H-2H2O"	-35.012676
"1397734"	255.048	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H-H2O"	-17.0027
"297988"	545.108676	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+H"	1.007276
"690815"	817.159376	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+H"	1.007276
"1366759"	273.057976	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H"	1.007276
"136767"	273.057976	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+2H"	2.014552
"578516"	409.083326	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+2H"	2.014552
"1048044"	137.032626	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2H"	2.014552
"207194"	182.374409333333	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+3H"	3.021828
"648213"	273.057976	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+3H"	3.021828
"1173993"	91.6908426666667	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+3H"	3.021828
"437271"	562.135223	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+NH4"	18.033823
"800094"	834.185923	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+NH4"	18.033823
"1696306"	290.084523	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+NH4"	18.033823
"343974"	281.5712495	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+H+NH4"	19.041099
"736028"	417.5965995	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+H+NH4"	19.041099
"1492734"	145.5458995	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H+NH4"	19.041099
"408431"	567.090618	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+Na"	22.989218
"769791"	839.141318	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+Na"	22.989218
"1618217"	295.039918	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Na"	22.989218
"329622"	284.048947	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+H+Na"	23.996494
"722418"	420.074297	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+H+Na"	23.996494
"1476799"	148.023597	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H+Na"	23.996494
"1068302"	99.0181566666667	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2H+Na"	25.00377
"1272753"	305.084186	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+CH3OH+H"	33.033486
"391785"	583.064558	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+K"	38.963158
"752534"	855.115258	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+K"	38.963158
"1550818"	311.013858	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+K"	38.963158
"312981"	292.035917	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+H+K"	39.970434
"703695"	428.061267	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+H+K"	39.970434
"1453140"	156.010567	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H+K"	39.970434
"242832"	586.135226	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+ACN+H"	42.033826
"1218820"	314.084526	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+ACN+H"	42.033826
"1201611"	157.545901	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+ACN+2H"	43.041102
"194484"	589.07256	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+2Na-H"	44.97116
"638054"	861.12326	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+2Na-H"	44.97116
"1138642"	317.02186	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2Na-H"	44.97116
"180839"	295.039918	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+2Na"	45.978436
"624772"	431.065268	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+2Na"	45.978436
"1123904"	159.014568	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2Na"	45.978436
"1407430"	106.345470666667	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H+2Na"	46.985712
"1434079"	319.063446	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H+HCOOH"	47.012746
"223044"	300.07294	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+3H2O+2H"	56.04448
"1511472"	333.11549	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+IsoProp+H"	61.06479
"416267"	303.026888	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+Na+K"	61.952376
"779816"	439.052238	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+Na+K"	61.952376
"1672136"	167.001538	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Na+K"	61.952376
"256832"	608.117168	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+ACN+Na"	64.015768
"1236471"	336.066468	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+ACN+Na"	64.015768
"1728426"	336.089993	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+NH4+HCOOH"	64.039293
"1192661"	113.672784666667	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+3Na"	68.967654
"1663160"	341.045388	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Na+HCOOH"	68.994688
"172090"	621.02044	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+2K-H"	76.91904
"612547"	893.07114	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+2K-H"	76.91904
"1096283"	348.96974	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2K-H"	76.91904
"149816"	311.013858	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"2M+2K"	77.926316
"590472"	447.039208	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"3M+2K"	77.926316
"1076080"	174.988508	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2K"	77.926316
"1109290"	350.984292	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2K+H"	78.933592
"1339479"	351.071907	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+DMSO+H"	79.021207
"1006915"	355.111076	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2ACN+H"	83.060376
"1527956"	356.104708	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+IsoProp+Na+H"	84.054008
"998780"	178.059176	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+2ACN+2H"	84.067652
"1596564"	357.019328	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+K+HCOOH"	84.968628
"1417849"	387.050838	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+H+CF3COOH"	115.000138
"1151418"	198.572451	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+3ACN+2H"	125.094202
"1705343"	404.077385	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+NH4+CF3COOH"	132.026685
"1639901"	409.03278	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+Na+CF3COOH"	136.98208
"1571581"	425.00672	"C15077"	"1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one;3-(Phenylsulfonyl)acrylophenone"	"C15H12O3S"	"272.0507"	"M+K+CF3COOH"	152.95602
"808107"	313.1678	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M"	0
"978359"	294.14941	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-H2O-H"	-19.01839
"65509"	207.771257333333	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M-3H"	-3.021828
"512726"	312.160524	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M-3H"	-3.021828
"883965"	103.381990666667	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-3H"	-3.021828
"3269"	312.160524	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M-2H"	-2.014552
"443555"	468.744424	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M-2H"	-2.014552
"819534"	155.576624	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-2H"	-2.014552
"79648"	625.328324	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M-H"	-1.007276
"520545"	938.496124	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M-H"	-1.007276
"898346"	312.160524	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-H"	-1.007276
"50533"	642.354871	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M-2H+NH4"	16.019271
"489120"	955.522671	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M-2H+NH4"	16.019271
"867896"	329.187071	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-2H+NH4"	16.019271
"33730"	647.310266	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M-2H+Na"	20.974666
"483765"	960.478066	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M-2H+Na"	20.974666
"861930"	334.142466	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-2H+Na"	20.974666
"1632067"	334.142466	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Na-2H"	20.974666
"106897"	330.148863	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M-H+Cl"	33.962126
"544267"	486.732763	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M-H+Cl"	33.962126
"937780"	173.564963	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-H+Cl"	33.962126
"275249"	661.305002	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+Cl"	34.969402
"666575"	974.472802	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+Cl"	34.969402
"1282259"	348.137202	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Cl"	34.969402
"16550"	663.284206	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M-2H+K"	36.948606
"457814"	976.452006	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M-2H+K"	36.948606
"837808"	350.116406	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-2H+K"	36.948606
"1569320"	350.116406	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+K-2H"	36.948606
"955990"	358.165994	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-H+HCOOH"	44.998194
"373594"	671.333801	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+HCOOH-H"	44.998201
"358208"	685.349451	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+Hac-H"	59.013851
"1503392"	372.181651	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Hac-H"	59.013851
"967653"	380.147951	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-H+NaCOOH"	66.980151
"119841"	348.137202	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+2Cl"	69.938804
"557213"	504.721102	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+2Cl"	69.938804
"1023097"	191.553302	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2Cl"	69.938804
"1243039"	392.086685	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Br"	78.918885
"1307311"	394.142672	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Cl+HCOOH"	80.974872
"1325537"	416.124629	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Cl+NaCOOH"	102.956829
"913315"	426.153386	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M-H+CF3COOH"	112.985586
"1295495"	462.130064	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Cl+CF3COOH"	148.962264
"1378030"	278.155124	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H-2H2O"	-35.012676
"1397478"	296.1651	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H-H2O"	-17.0027
"298142"	627.342876	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+H"	1.007276
"689099"	940.510676	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+H"	1.007276
"1365328"	314.175076	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H"	1.007276
"136149"	314.175076	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+2H"	2.014552
"575343"	470.758976	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+2H"	2.014552
"1040862"	157.591176	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2H"	2.014552
"209856"	209.785809333333	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+3H"	3.021828
"648322"	314.175076	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+3H"	3.021828
"1168635"	105.396542666667	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+3H"	3.021828
"436286"	644.369423	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+NH4"	18.033823
"797288"	957.537223	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+NH4"	18.033823
"1693619"	331.201623	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+NH4"	18.033823
"342990"	322.6883495	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+H+NH4"	19.041099
"735773"	479.2722495	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+H+NH4"	19.041099
"1492486"	166.1044495	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H+NH4"	19.041099
"408010"	649.324818	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+Na"	22.989218
"769492"	962.492618	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+Na"	22.989218
"1617995"	336.157018	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Na"	22.989218
"328639"	325.166047	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+H+Na"	23.996494
"721910"	481.749947	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+H+Na"	23.996494
"1474757"	168.582147	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H+Na"	23.996494
"1066538"	112.723856666667	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2H+Na"	25.00377
"1270768"	346.201286	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+CH3OH+H"	33.033486
"391771"	665.298758	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+K"	38.963158
"752521"	978.466558	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+K"	38.963158
"1550928"	352.130958	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+K"	38.963158
"308102"	333.153017	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+H+K"	39.970434
"703805"	489.736917	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+H+K"	39.970434
"1453251"	176.569117	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H+K"	39.970434
"244401"	668.369426	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+ACN+H"	42.033826
"1217838"	355.201626	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+ACN+H"	42.033826
"1203909"	178.104451	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+ACN+2H"	43.041102
"196779"	671.30676	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+2Na-H"	44.97116
"637433"	984.47456	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+2Na-H"	44.97116
"1142032"	358.13896	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2Na-H"	44.97116
"182041"	336.157018	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+2Na"	45.978436
"620508"	492.740918	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+2Na"	45.978436
"1122920"	179.573118	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2Na"	45.978436
"1406446"	120.051170666667	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H+2Na"	46.985712
"1435280"	360.180546	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H+HCOOH"	47.012746
"223521"	341.19004	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+3H2O+2H"	56.04448
"1513037"	374.23259	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+IsoProp+H"	61.06479
"412363"	344.143988	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+Na+K"	61.952376
"777006"	500.727888	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+Na+K"	61.952376
"1675525"	187.560088	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Na+K"	61.952376
"258764"	690.351368	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+ACN+Na"	64.015768
"1234390"	377.183568	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+ACN+Na"	64.015768
"1727051"	377.207093	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+NH4+HCOOH"	64.039293
"1191918"	127.378484666667	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+3Na"	68.967654
"1664121"	382.162488	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Na+HCOOH"	68.994688
"171957"	703.25464	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+2K-H"	76.91904
"612619"	1016.42244	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+2K-H"	76.91904
"1095300"	390.08684	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2K-H"	76.91904
"152113"	352.130958	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"2M+2K"	77.926316
"588396"	508.714858	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"3M+2K"	77.926316
"1076190"	195.547058	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2K"	77.926316
"1108307"	392.101392	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2K+H"	78.933592
"1339225"	392.189007	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+DMSO+H"	79.021207
"1007146"	396.228176	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2ACN+H"	83.060376
"1530253"	397.221808	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+IsoProp+Na+H"	84.054008
"998890"	198.617726	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+2ACN+2H"	84.067652
"1596674"	398.136428	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+K+HCOOH"	84.968628
"1417959"	428.167938	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+H+CF3COOH"	115.000138
"1151528"	219.131001	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+3ACN+2H"	125.094202
"1705453"	445.194485	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+NH4+CF3COOH"	132.026685
"1640011"	450.14988	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+Na+CF3COOH"	136.98208
"1572744"	466.12382	"C15078"	"3-Methoxyestra-135(10)-triene-1617-dione 16-oxime;3-Methoxyestra-135(10)-trien-16-oximino-17-one"	"C19H23NO3"	"313.1678"	"M+K+CF3COOH"	152.95602
"813685"	346.1944	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M"	0
"981749"	327.17601	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-H2O-H"	-19.01839
"64890"	229.788990666667	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M-3H"	-3.021828
"509556"	345.187124	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M-3H"	-3.021828
"880021"	114.390857333333	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-3H"	-3.021828
"219"	345.187124	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M-2H"	-2.014552
"442205"	518.284324	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M-2H"	-2.014552
"819277"	172.089924	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-2H"	-2.014552
"80002"	691.381524	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M-H"	-1.007276
"522842"	1037.575924	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M-H"	-1.007276
"897364"	345.187124	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-H"	-1.007276
"51737"	708.408071	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M-2H+NH4"	16.019271
"491297"	1054.602471	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M-2H+NH4"	16.019271
"869102"	362.213671	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-2H+NH4"	16.019271
"37000"	713.363466	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M-2H+Na"	20.974666
"485326"	1059.557866	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M-2H+Na"	20.974666
"863129"	367.169066	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-2H+Na"	20.974666
"1633634"	367.169066	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Na-2H"	20.974666
"105914"	363.175463	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M-H+Cl"	33.962126
"546563"	536.272663	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M-H+Cl"	33.962126
"937890"	190.078263	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-H+Cl"	33.962126
"275359"	727.358202	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+Cl"	34.969402
"665592"	1073.552602	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+Cl"	34.969402
"1281276"	381.163802	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Cl"	34.969402
"17266"	729.337406	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M-2H+K"	36.948606
"457073"	1075.531806	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M-2H+K"	36.948606
"837918"	383.143006	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-2H+K"	36.948606
"1567971"	383.143006	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+K-2H"	36.948606
"956219"	391.192594	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-H+HCOOH"	44.998194
"374068"	737.387001	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+HCOOH-H"	44.998201
"356859"	751.402651	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+Hac-H"	59.013851
"1503502"	405.208251	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Hac-H"	59.013851
"967763"	413.174551	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-H+NaCOOH"	66.980151
"119951"	381.163802	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+2Cl"	69.938804
"557323"	554.261002	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+2Cl"	69.938804
"1022478"	208.066602	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2Cl"	69.938804
"1242784"	425.113285	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Br"	78.918885
"1308150"	427.169272	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Cl+HCOOH"	80.974872
"1326740"	449.151229	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Cl+NaCOOH"	102.956829
"915612"	459.179986	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M-H+CF3COOH"	112.985586
"1296698"	495.156664	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Cl+CF3COOH"	148.962264
"1377047"	311.181724	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H-2H2O"	-35.012676
"1393452"	329.1917	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H-H2O"	-17.0027
"297883"	693.396076	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+H"	1.007276
"689573"	1039.590476	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+H"	1.007276
"1364830"	347.201676	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H"	1.007276
"135895"	347.201676	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+2H"	2.014552
"574361"	520.298876	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+2H"	2.014552
"1044252"	174.104476	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2H"	2.014552
"212153"	231.803542666667	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+3H"	3.021828
"647339"	347.201676	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+3H"	3.021828
"1165828"	116.405409333333	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+3H"	3.021828
"434208"	710.422623	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+NH4"	18.033823
"798127"	1056.617023	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+NH4"	18.033823
"1693363"	364.228223	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+NH4"	18.033823
"343463"	355.7149495	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+H+NH4"	19.041099
"735154"	528.8121495	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+H+NH4"	19.041099
"1492481"	182.6177495	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H+NH4"	19.041099
"408282"	715.378018	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+Na"	22.989218
"769844"	1061.572418	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+Na"	22.989218
"1618061"	369.183618	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Na"	22.989218
"329235"	358.192647	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+H+Na"	23.996494
"721656"	531.289847	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+H+Na"	23.996494
"1476084"	185.095447	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H+Na"	23.996494
"1067621"	123.732723333333	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2H+Na"	25.00377
"1271606"	379.227886	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+CH3OH+H"	33.033486
"392367"	731.351958	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+K"	38.963158
"754056"	1077.546358	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+K"	38.963158
"1553954"	385.157558	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+K"	38.963158
"307119"	366.179617	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+H+K"	39.970434
"703915"	539.276817	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+H+K"	39.970434
"1452267"	193.082417	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H+K"	39.970434
"244146"	734.422626	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+ACN+H"	42.033826
"1216855"	388.228226	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+ACN+H"	42.033826
"1200009"	194.617751	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+ACN+2H"	43.041102
"196890"	737.35996	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+2Na-H"	44.97116
"634628"	1083.55436	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+2Na-H"	44.97116
"1142142"	391.16556	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2Na-H"	44.97116
"178872"	369.183618	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+2Na"	45.978436
"617338"	542.280818	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+2Na"	45.978436
"1120114"	196.086418	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2Na"	45.978436
"1405461"	131.060037333333	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H+2Na"	46.985712
"1433569"	393.207146	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H+HCOOH"	47.012746
"223996"	374.21664	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+3H2O+2H"	56.04448
"1511690"	407.25919	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+IsoProp+H"	61.06479
"411745"	377.170588	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+Na+K"	61.952376
"772739"	550.267788	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+Na+K"	61.952376
"1673447"	204.073388	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Na+K"	61.952376
"257780"	756.404568	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+ACN+Na"	64.015768
"1230124"	410.210168	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+ACN+Na"	64.015768
"1721566"	410.233693	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+NH4+HCOOH"	64.039293
"1191300"	138.387351333333	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+3Na"	68.967654
"1664475"	415.189088	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Na+HCOOH"	68.994688
"171460"	769.30784	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+2K-H"	76.91904
"612720"	1115.50224	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+2K-H"	76.91904
"1096504"	423.11344	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2K-H"	76.91904
"150036"	385.157558	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"2M+2K"	77.926316
"587412"	558.254758	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"3M+2K"	77.926316
"1079580"	212.060358	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2K"	77.926316
"1106230"	425.127992	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2K+H"	78.933592
"1339335"	425.215607	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+DMSO+H"	79.021207
"1007863"	429.254776	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2ACN+H"	83.060376
"1530363"	430.248408	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+IsoProp+Na+H"	84.054008
"993532"	215.131026	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+2ACN+2H"	84.067652
"1589493"	431.163028	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+K+HCOOH"	84.968628
"1415152"	461.194538	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+H+CF3COOH"	115.000138
"1147626"	235.644301	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+3ACN+2H"	125.094202
"1705563"	478.221085	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+NH4+CF3COOH"	132.026685
"1637204"	483.17648	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+Na+CF3COOH"	136.98208
"1572490"	499.15042	"C15079"	"9-Fluoro-11beta-hydroxypregna-416-diene-320-dione"	"C21H27FO3"	"346.1944"	"M+K+CF3COOH"	152.95602
"813795"	450.1679	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M"	0
"981859"	431.14951	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-H2O-H"	-19.01839
"67916"	299.104657333333	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M-3H"	-3.021828
"510760"	449.160624	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M-3H"	-3.021828
"882364"	149.048690666667	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-3H"	-3.021828
"3124"	449.160624	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M-2H"	-2.014552
"442681"	674.244574	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M-2H"	-2.014552
"820483"	224.076674	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-2H"	-2.014552
"84484"	899.328524	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M-H"	-1.007276
"524045"	1349.496424	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M-H"	-1.007276
"899659"	449.160624	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-H"	-1.007276
"52940"	916.355071	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M-2H+NH4"	16.019271
"496878"	1366.522971	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M-2H+NH4"	16.019271
"873585"	466.187171	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-2H+NH4"	16.019271
"38205"	921.310466	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M-2H+Na"	20.974666
"483249"	1371.478366	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M-2H+Na"	20.974666
"861052"	471.142566	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-2H+Na"	20.974666
"1633864"	471.142566	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Na-2H"	20.974666
"108209"	467.148963	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M-H+Cl"	33.962126
"543393"	692.232913	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M-H+Cl"	33.962126
"936907"	242.065013	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-H+Cl"	33.962126
"279844"	935.305202	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+Cl"	34.969402
"665702"	1385.473102	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+Cl"	34.969402
"1282479"	485.137302	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Cl"	34.969402
"17743"	937.284406	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M-2H+K"	36.948606
"459127"	1387.452306	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M-2H+K"	36.948606
"840215"	487.116506	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-2H+K"	36.948606
"1569906"	487.116506	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+K-2H"	36.948606
"957058"	495.166094	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-H+HCOOH"	44.998194
"370898"	945.334001	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+HCOOH-H"	44.998201
"358792"	959.349651	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+Hac-H"	59.013851
"1504705"	509.181751	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Hac-H"	59.013851
"967873"	517.148051	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-H+NaCOOH"	66.980151
"116780"	485.137302	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+2Cl"	69.938804
"554153"	710.221252	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+2Cl"	69.938804
"1027690"	260.053352	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2Cl"	69.938804
"1243623"	529.086785	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Br"	78.918885
"1306802"	531.142772	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Cl+HCOOH"	80.974872
"1324664"	553.124729	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Cl+NaCOOH"	102.956829
"919005"	563.153486	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M-H+CF3COOH"	112.985586
"1295715"	599.130164	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Cl+CF3COOH"	148.962264
"1378979"	415.155224	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H-2H2O"	-35.012676
"1393925"	433.1652	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H-H2O"	-17.0027
"295442"	901.343076	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+H"	1.007276
"688590"	1351.510976	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+H"	1.007276
"1365305"	451.175176	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H"	1.007276
"135641"	451.175176	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+2H"	2.014552
"577752"	676.259126	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+2H"	2.014552
"1050926"	226.091226	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2H"	2.014552
"215179"	301.119209333333	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+3H"	3.021828
"647450"	451.175176	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+3H"	3.021828
"1172138"	151.063242666667	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+3H"	3.021828
"437234"	918.369623	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+NH4"	18.033823
"798603"	1368.537523	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+NH4"	18.033823
"1693839"	468.201723	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+NH4"	18.033823
"339928"	459.6884495	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+H+NH4"	19.041099
"733442"	684.7723995	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+H+NH4"	19.041099
"1492341"	234.6044995	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H+NH4"	19.041099
"408471"	923.325018	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+Na"	22.989218
"769548"	1373.492918	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+Na"	22.989218
"1618128"	473.157118	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Na"	22.989218
"329896"	462.166147	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+H+Na"	23.996494
"722734"	687.250097	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+H+Na"	23.996494
"1475699"	237.082197	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H+Na"	23.996494
"1067487"	158.390556666667	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2H+Na"	25.00377
"1270984"	483.201386	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+CH3OH+H"	33.033486
"392734"	939.298958	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+K"	38.963158
"751647"	1389.466858	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+K"	38.963158
"1553336"	489.131058	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+K"	38.963158
"309781"	470.153117	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+H+K"	39.970434
"703661"	695.237067	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+H+K"	39.970434
"1450190"	245.069167	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H+K"	39.970434
"240977"	942.369626	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+ACN+H"	42.033826
"1214778"	492.201726	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+ACN+H"	42.033826
"1199025"	246.604501	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+ACN+2H"	43.041102
"194813"	945.30696	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+2Na-H"	44.97116
"633644"	1395.47486	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+2Na-H"	44.97116
"1136786"	495.13906	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2Na-H"	44.97116
"177890"	473.157118	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+2Na"	45.978436
"618542"	698.241068	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+2Na"	45.978436
"1120588"	248.073168	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2Na"	45.978436
"1403020"	165.717870666667	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H+2Na"	46.985712
"1431860"	497.180646	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H+HCOOH"	47.012746
"222647"	478.19014	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+3H2O+2H"	56.04448
"1515451"	511.23269	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+IsoProp+H"	61.06479
"415139"	481.144088	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+Na+K"	61.952376
"773943"	706.228038	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+Na+K"	61.952376
"1673560"	256.060138	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Na+K"	61.952376
"256798"	964.351568	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+ACN+Na"	64.015768
"1229505"	514.183668	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+ACN+Na"	64.015768
"1721675"	514.207193	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+NH4+HCOOH"	64.039293
"1191411"	173.045184666667	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+3Na"	68.967654
"1664586"	519.162588	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Na+HCOOH"	68.994688
"171448"	977.25484	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+2K-H"	76.91904
"612556"	1427.42274	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+2K-H"	76.91904
"1096614"	527.08694	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2K-H"	76.91904
"150146"	489.131058	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"2M+2K"	77.926316
"587522"	714.215008	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"3M+2K"	77.926316
"1075316"	264.047108	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2K"	77.926316
"1108527"	529.101492	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2K+H"	78.933592
"1344913"	529.189107	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+DMSO+H"	79.021207
"1012349"	533.228276	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2ACN+H"	83.060376
"1530474"	534.221908	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+IsoProp+Na+H"	84.054008
"994735"	267.117776	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+2ACN+2H"	84.067652
"1592520"	535.136528	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+K+HCOOH"	84.968628
"1418179"	565.168038	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+H+CF3COOH"	115.000138
"1148101"	287.631051	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+3ACN+2H"	125.094202
"1699112"	582.194585	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+NH4+CF3COOH"	132.026685
"1636950"	587.14998	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+Na+CF3COOH"	136.98208
"1572235"	603.12392	"C15080"	"4-Benzyloxy-2-hydroxy-3456-tetramethoxychalcone"	"C26H26O7"	"450.1679"	"M+K+CF3COOH"	152.95602
"808436"	289.1678	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M"	0
"981969"	270.14941	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H2O-H"	-19.01839
"66932"	191.771257333333	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-3H"	-3.021828
"508684"	288.160524	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-3H"	-3.021828
"882474"	95.3819906666667	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-3H"	-3.021828
"2140"	288.160524	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H"	-2.014552
"443520"	432.744424	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H"	-2.014552
"820230"	143.576624	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H"	-2.014552
"83503"	577.328324	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-H"	-1.007276
"524154"	866.496124	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-H"	-1.007276
"903051"	288.160524	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H"	-1.007276
"56330"	594.354871	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H+NH4"	16.019271
"493708"	883.522671	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H+NH4"	16.019271
"871507"	305.187071	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H+NH4"	16.019271
"37587"	599.310266	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H+Na"	20.974666
"481172"	888.478066	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H+Na"	20.974666
"855692"	310.142466	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H+Na"	20.974666
"1626319"	310.142466	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na-2H"	20.974666
"108318"	306.148863	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-H+Cl"	33.962126
"546784"	450.732763	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-H+Cl"	33.962126
"940298"	161.564963	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+Cl"	33.962126
"275579"	613.305002	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Cl"	34.969402
"662532"	902.472802	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+Cl"	34.969402
"1274084"	324.137202	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl"	34.969402
"17489"	615.284206	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M-2H+K"	36.948606
"455762"	904.452006	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M-2H+K"	36.948606
"841418"	326.116406	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-2H+K"	36.948606
"1570379"	326.116406	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K-2H"	36.948606
"957168"	334.165994	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+HCOOH"	44.998194
"371008"	623.333801	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+HCOOH-H"	44.998201
"358902"	637.349451	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Hac-H"	59.013851
"1503722"	348.181651	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Hac-H"	59.013851
"962879"	356.147951	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+NaCOOH"	66.980151
"115796"	324.137202	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2Cl"	69.938804
"554262"	468.721102	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2Cl"	69.938804
"1023061"	179.553302	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2Cl"	69.938804
"1244826"	368.086685	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Br"	78.918885
"1306182"	370.142672	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl+HCOOH"	80.974872
"1322952"	392.124629	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl+NaCOOH"	102.956829
"916928"	402.153386	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M-H+CF3COOH"	112.985586
"1300199"	438.130064	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Cl+CF3COOH"	148.962264
"1379453"	254.155124	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H-2H2O"	-35.012676
"1395492"	272.1651	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H-H2O"	-17.0027
"297252"	579.342876	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H"	1.007276
"690037"	868.510676	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H"	1.007276
"1365659"	290.175076	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H"	1.007276
"135752"	290.175076	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2H"	2.014552
"577134"	434.758976	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2H"	2.014552
"1050672"	145.591176	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2H"	2.014552
"212373"	193.785809333333	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+3H"	3.021828
"646466"	290.175076	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+3H"	3.021828
"1168968"	97.3965426666667	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+3H"	3.021828
"431148"	596.369423	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+NH4"	18.033823
"799807"	885.537223	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+NH4"	18.033823
"1693225"	307.201623	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+NH4"	18.033823
"342958"	298.6883495	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H+NH4"	19.041099
"734648"	443.2722495	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H+NH4"	19.041099
"1492126"	154.1044495	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+NH4"	19.041099
"408376"	601.324818	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Na"	22.989218
"769851"	890.492618	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+Na"	22.989218
"1618429"	312.157018	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na"	22.989218
"329927"	301.166047	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H+Na"	23.996494
"722754"	445.749947	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H+Na"	23.996494
"1476539"	156.582147	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+Na"	23.996494
"1068328"	104.723856666667	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2H+Na"	25.00377
"1271094"	322.201286	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+CH3OH+H"	33.033486
"392751"	617.298758	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+K"	38.963158
"751393"	906.466558	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+K"	38.963158
"1553810"	328.130958	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K"	38.963158
"309527"	309.153017	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+H+K"	39.970434
"703771"	453.736917	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+H+K"	39.970434
"1451393"	164.569117	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+K"	39.970434
"241087"	620.369426	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+ACN+H"	42.033826
"1214888"	331.201626	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+ACN+H"	42.033826
"1198042"	166.104451	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+ACN+2H"	43.041102
"195288"	623.30676	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2Na-H"	44.97116
"632662"	912.47456	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2Na-H"	44.97116
"1139083"	334.13896	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2Na-H"	44.97116
"178000"	312.157018	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2Na"	45.978436
"617559"	456.740918	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2Na"	45.978436
"1121427"	167.573118	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2Na"	45.978436
"1403495"	112.051170666667	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+2Na"	46.985712
"1432335"	336.180546	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+HCOOH"	47.012746
"222150"	317.19004	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+3H2O+2H"	56.04448
"1515561"	350.23259	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+IsoProp+H"	61.06479
"415249"	320.143988	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+Na+K"	61.952376
"773324"	464.727888	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+Na+K"	61.952376
"1671484"	175.560088	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na+K"	61.952376
"255815"	642.351368	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+ACN+Na"	64.015768
"1229615"	353.183568	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+ACN+Na"	64.015768
"1719599"	353.207093	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+NH4+HCOOH"	64.039293
"1189329"	119.378484666667	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+3Na"	68.967654
"1660318"	358.162488	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na+HCOOH"	68.994688
"171921"	655.25464	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2K-H"	76.91904
"612580"	944.42244	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2K-H"	76.91904
"1096721"	366.08684	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2K-H"	76.91904
"151349"	328.130958	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"2M+2K"	77.926316
"589816"	472.714858	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"3M+2K"	77.926316
"1073238"	183.547058	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2K"	77.926316
"1108637"	368.101392	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2K+H"	78.933592
"1343929"	368.189007	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+DMSO+H"	79.021207
"1012459"	372.228176	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2ACN+H"	83.060376
"1531677"	373.221808	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+IsoProp+Na+H"	84.054008
"993751"	186.617726	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+2ACN+2H"	84.067652
"1590443"	374.136428	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K+HCOOH"	84.968628
"1418289"	404.167938	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+H+CF3COOH"	115.000138
"1148577"	207.131001	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+3ACN+2H"	125.094202
"1699221"	421.194485	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+NH4+CF3COOH"	132.026685
"1637059"	426.14988	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+Na+CF3COOH"	136.98208
"1571308"	442.12382	"C15081"	"trans-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid ethyl ester"	"C17H23NO3"	"289.1678"	"M+K+CF3COOH"	152.95602
"808546"	254.1671	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M"	0
"982079"	235.14871	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-H2O-H"	-19.01839
"70324"	168.437457333333	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M-3H"	-3.021828
"509886"	253.159824	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M-3H"	-3.021828
"883314"	83.7150906666667	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-3H"	-3.021828
"1886"	253.159824	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M-2H"	-2.014552
"441447"	380.243374	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M-2H"	-2.014552
"820341"	126.076274	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-2H"	-2.014552
"84705"	507.326924	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M-H"	-1.007276
"525358"	761.494024	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M-H"	-1.007276
"904253"	253.159824	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-H"	-1.007276
"55712"	524.353471	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M-2H+NH4"	16.019271
"493817"	778.520571	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M-2H+NH4"	16.019271
"872711"	270.186371	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-2H+NH4"	16.019271
"37332"	529.308866	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M-2H+Na"	20.974666
"477993"	783.475966	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M-2H+Na"	20.974666
"856889"	275.141766	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-2H+Na"	20.974666
"1623141"	275.141766	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Na-2H"	20.974666
"96754"	271.148163	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M-H+Cl"	33.962126
"534735"	398.231713	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M-H+Cl"	33.962126
"927762"	144.064613	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-H+Cl"	33.962126
"267412"	543.303602	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+Cl"	34.969402
"663001"	797.470702	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+Cl"	34.969402
"1273343"	289.136502	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Cl"	34.969402
"16506"	545.282806	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M-2H+K"	36.948606
"455734"	799.449906	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M-2H+K"	36.948606
"841528"	291.115706	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-2H+K"	36.948606
"1568303"	291.115706	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+K-2H"	36.948606
"954727"	299.165294	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-H+HCOOH"	44.998194
"373307"	553.332401	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+HCOOH-H"	44.998201
"357191"	567.348051	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+Hac-H"	59.013851
"1504926"	313.180951	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Hac-H"	59.013851
"968093"	321.147251	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-H+NaCOOH"	66.980151
"114813"	289.136502	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+2Cl"	69.938804
"552550"	416.220052	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+2Cl"	69.938804
"1023293"	162.052952	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2Cl"	69.938804
"1244939"	333.085985	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Br"	78.918885
"1305439"	335.141972	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Cl+HCOOH"	80.974872
"1328165"	357.123929	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Cl+NaCOOH"	102.956829
"915945"	367.152686	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M-H+CF3COOH"	112.985586
"1300309"	403.129364	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Cl+CF3COOH"	148.962264
"1379563"	219.154424	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H-2H2O"	-35.012676
"1395602"	237.1644	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H-H2O"	-17.0027
"294566"	509.341476	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+H"	1.007276
"690632"	763.508576	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+H"	1.007276
"1365889"	255.174376	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H"	1.007276
"131851"	255.174376	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+2H"	2.014552
"577244"	382.257926	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+2H"	2.014552
"1049322"	128.090826	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2H"	2.014552
"209203"	170.452009333333	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+3H"	3.021828
"646938"	255.174376	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+3H"	3.021828
"1166891"	85.7296426666667	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+3H"	3.021828
"431258"	526.368023	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+NH4"	18.033823
"798823"	780.535123	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+NH4"	18.033823
"1695152"	272.200923	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+NH4"	18.033823
"343431"	263.6876495	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+H+NH4"	19.041099
"734757"	390.7711995	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+H+NH4"	19.041099
"1491994"	136.6040995	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H+NH4"	19.041099
"407633"	531.323418	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+Na"	22.989218
"769565"	785.490518	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+Na"	22.989218
"1616608"	277.156318	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Na"	22.989218
"329644"	266.165347	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+H+Na"	23.996494
"722670"	393.248897	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+H+Na"	23.996494
"1476531"	139.081797	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H+Na"	23.996494
"1067588"	93.0569566666667	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2H+Na"	25.00377
"1268653"	287.200586	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+CH3OH+H"	33.033486
"390874"	547.297358	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+K"	38.963158
"751867"	801.464458	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+K"	38.963158
"1553920"	293.130258	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+K"	38.963158
"310001"	274.152317	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+H+K"	39.970434
"700601"	401.235867	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+H+K"	39.970434
"1451503"	147.068767	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H+K"	39.970434
"240103"	550.368026	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+ACN+H"	42.033826
"1213175"	296.200926	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+ACN+H"	42.033826
"1199974"	148.604101	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+ACN+2H"	43.041102
"195034"	553.30536	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+2Na-H"	44.97116
"633499"	807.47246	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+2Na-H"	44.97116
"1138099"	299.13826	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2Na-H"	44.97116
"178110"	277.156318	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+2Na"	45.978436
"619855"	404.239868	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+2Na"	45.978436
"1119714"	150.072768	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2Na"	45.978436
"1401783"	100.384270666667	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H+2Na"	46.985712
"1431352"	301.179846	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H+HCOOH"	47.012746
"222140"	282.18934	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+3H2O+2H"	56.04448
"1513485"	315.23189	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+IsoProp+H"	61.06479
"410984"	285.143288	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+Na+K"	61.952376
"773436"	412.226838	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+Na+K"	61.952376
"1669407"	158.059738	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Na+K"	61.952376
"254462"	572.349968	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+ACN+Na"	64.015768
"1227539"	318.182868	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+ACN+Na"	64.015768
"1716428"	318.206393	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+NH4+HCOOH"	64.039293
"1188346"	107.711584666667	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+3Na"	68.967654
"1658242"	323.161788	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Na+HCOOH"	68.994688
"171911"	585.25324	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+2K-H"	76.91904
"610861"	839.42034	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+2K-H"	76.91904
"1099261"	331.08614	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2K-H"	76.91904
"155469"	293.130258	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"2M+2K"	77.926316
"588832"	420.213808	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"3M+2K"	77.926316
"1074441"	166.046708	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2K"	77.926316
"1112027"	333.100692	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2K+H"	78.933592
"1342946"	333.188307	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+DMSO+H"	79.021207
"1011476"	337.227476	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2ACN+H"	83.060376
"1531787"	338.221108	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+IsoProp+Na+H"	84.054008
"992768"	169.117376	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+2ACN+2H"	84.067652
"1587637"	339.135728	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+K+HCOOH"	84.968628
"1418399"	369.167238	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+H+CF3COOH"	115.000138
"1147267"	189.630651	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+3ACN+2H"	125.094202
"1702612"	386.193785	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+NH4+CF3COOH"	132.026685
"1634536"	391.14918	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+Na+CF3COOH"	136.98208
"1571845"	407.12312	"C15082"	"4-(1-Ethyl-2-phenylbutyl)phenol"	"C18H22O"	"254.1671"	"M+K+CF3COOH"	152.95602
"808656"	248.016	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M"	0
"978909"	228.99761	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-H2O-H"	-19.01839
"71527"	164.336724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M-3H"	-3.021828
"508903"	247.008724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M-3H"	-3.021828
"881965"	81.664724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-3H"	-3.021828
"4182"	247.008724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M-2H"	-2.014552
"442285"	371.016724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M-2H"	-2.014552
"820451"	123.000724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-2H"	-2.014552
"83358"	495.024724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M-H"	-1.007276
"524375"	743.040724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M-H"	-1.007276
"904365"	247.008724	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-H"	-1.007276
"55459"	512.051271	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M-2H+NH4"	16.019271
"498302"	760.067271	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M-2H+NH4"	16.019271
"873915"	264.035271	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-2H+NH4"	16.019271
"37442"	517.006666	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M-2H+Na"	20.974666
"478103"	765.022666	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M-2H+Na"	20.974666
"856999"	268.990666	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-2H+Na"	20.974666
"1622158"	268.990666	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Na-2H"	20.974666
"97228"	264.997063	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M-H+Cl"	33.962126
"535211"	389.005063	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M-H+Cl"	33.962126
"928845"	140.989063	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-H+Cl"	33.962126
"268372"	531.001402	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+Cl"	34.969402
"661288"	779.017402	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+Cl"	34.969402
"1273574"	282.985402	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Cl"	34.969402
"17101"	532.980606	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M-2H+K"	36.948606
"456047"	780.996606	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M-2H+K"	36.948606
"838358"	284.964606	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-2H+K"	36.948606
"1569506"	284.964606	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+K-2H"	36.948606
"954110"	293.014194	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-H+HCOOH"	44.998194
"373413"	541.030201	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+HCOOH-H"	44.998201
"356208"	555.045851	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+Hac-H"	59.013851
"1502850"	307.029851	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Hac-H"	59.013851
"967110"	314.996151	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-H+NaCOOH"	66.980151
"115287"	282.985402	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+2Cl"	69.938804
"553389"	406.993402	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+2Cl"	69.938804
"1024374"	158.977402	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2Cl"	69.938804
"1245777"	326.934885	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Br"	78.918885
"1304456"	328.990872	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Cl+HCOOH"	80.974872
"1328275"	350.972829	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Cl+NaCOOH"	102.956829
"916055"	361.001586	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M-H+CF3COOH"	112.985586
"1300419"	396.978264	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Cl+CF3COOH"	148.962264
"1376393"	213.003324	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H-2H2O"	-35.012676
"1396076"	231.0133	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H-H2O"	-17.0027
"293581"	497.039276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+H"	1.007276
"688917"	745.055276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+H"	1.007276
"1363081"	249.023276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H"	1.007276
"131961"	249.023276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+2H"	2.014552
"574801"	373.031276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+2H"	2.014552
"1046516"	125.015276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2H"	2.014552
"211499"	166.351276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+3H"	3.021828
"648869"	249.023276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+3H"	3.021828
"1165906"	83.679276	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+3H"	3.021828
"430274"	514.065823	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+NH4"	18.033823
"799663"	762.081823	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+NH4"	18.033823
"1695991"	266.049823	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+NH4"	18.033823
"344268"	257.5365495	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+H+NH4"	19.041099
"737053"	381.5445495	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+H+NH4"	19.041099
"1492349"	133.5285495	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H+NH4"	19.041099
"406893"	519.021218	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+Na"	22.989218
"769353"	767.037218	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+Na"	22.989218
"1616723"	271.005218	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Na"	22.989218
"329070"	260.014247	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+H+Na"	23.996494
"721730"	384.022247	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+H+Na"	23.996494
"1475677"	136.006247	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H+Na"	23.996494
"1067088"	91.00659	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2H+Na"	25.00377
"1269492"	281.049486	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+CH3OH+H"	33.033486
"388066"	534.995158	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+K"	38.963158
"751248"	783.011158	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+K"	38.963158
"1550749"	286.979158	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+K"	38.963158
"307559"	268.001217	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+H+K"	39.970434
"697795"	392.009217	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+H+K"	39.970434
"1450519"	143.993217	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H+K"	39.970434
"238025"	538.065826	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+ACN+H"	42.033826
"1214014"	290.049826	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+ACN+H"	42.033826
"1197898"	145.528551	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+ACN+2H"	43.041102
"192957"	541.00316	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+2Na-H"	44.97116
"631057"	789.01916	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+2Na-H"	44.97116
"1135294"	292.98716	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2Na-H"	44.97116
"176034"	271.005218	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+2Na"	45.978436
"616683"	395.013218	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+2Na"	45.978436
"1119823"	146.997218	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2Na"	45.978436
"1401161"	98.333904	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H+2Na"	46.985712
"1431462"	295.028746	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H+HCOOH"	47.012746
"222614"	276.03824	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+3H2O+2H"	56.04448
"1512502"	309.08079	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+IsoProp+H"	61.06479
"411094"	278.992188	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+Na+K"	61.952376
"773910"	403.000188	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+Na+K"	61.952376
"1670608"	154.984188	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Na+K"	61.952376
"252388"	560.047768	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+ACN+Na"	64.015768
"1228378"	312.031768	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+ACN+Na"	64.015768
"1716536"	312.055293	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+NH4+HCOOH"	64.039293
"1185174"	105.661218	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+3Na"	68.967654
"1652885"	317.010688	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Na+HCOOH"	68.994688
"164119"	572.95104	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+2K-H"	76.91904
"604773"	820.96704	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+2K-H"	76.91904
"1098033"	324.93504	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2K-H"	76.91904
"149382"	286.979158	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"2M+2K"	77.926316
"586755"	410.987158	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"3M+2K"	77.926316
"1074551"	162.971158	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2K"	77.926316
"1114569"	326.949592	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2K+H"	78.933592
"1339775"	327.037207	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+DMSO+H"	79.021207
"1012678"	331.076376	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2ACN+H"	83.060376
"1529710"	332.070008	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+IsoProp+Na+H"	84.054008
"992878"	166.041826	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+2ACN+2H"	84.067652
"1588840"	332.984628	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+K+HCOOH"	84.968628
"1415593"	363.016138	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+H+CF3COOH"	115.000138
"1148431"	186.555101	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+3ACN+2H"	125.094202
"1702722"	380.042685	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+NH4+CF3COOH"	132.026685
"1634728"	384.99808	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+Na+CF3COOH"	136.98208
"1571591"	400.97202	"C15083"	"1-Chloro-2-1-(4-chlorophenyl)ethenylbenzene"	"C14H10Cl2"	"248.016"	"M+K+CF3COOH"	152.95602
"808766"	282.1157	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M"	0
"979019"	263.09731	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-H2O-H"	-19.01839
"77105"	187.069857333333	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M-3H"	-3.021828
"509014"	281.108424	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M-3H"	-3.021828
"884627"	93.0312906666667	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-3H"	-3.021828
"2107"	281.108424	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M-2H"	-2.014552
"443856"	422.166274	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M-2H"	-2.014552
"820564"	140.050574	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-2H"	-2.014552
"82742"	563.224124	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M-H"	-1.007276
"526676"	845.339824	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M-H"	-1.007276
"902288"	281.108424	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-H"	-1.007276
"53384"	580.250671	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M-2H+NH4"	16.019271
"492944"	862.366371	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M-2H+NH4"	16.019271
"871837"	298.134971	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-2H+NH4"	16.019271
"39738"	585.206066	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M-2H+Na"	20.974666
"478576"	867.321766	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M-2H+Na"	20.974666
"858202"	303.090366	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-2H+Na"	20.974666
"1624456"	303.090366	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Na-2H"	20.974666
"97336"	299.096763	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M-H+Cl"	33.962126
"537264"	440.154613	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M-H+Cl"	33.962126
"929320"	158.038913	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-H+Cl"	33.962126
"270433"	599.200802	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+Cl"	34.969402
"662492"	881.316502	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+Cl"	34.969402
"1275261"	317.085102	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Cl"	34.969402
"17444"	601.180006	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M-2H+K"	36.948606
"456887"	883.295706	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M-2H+K"	36.948606
"843936"	319.064306	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-2H+K"	36.948606
"1566336"	319.064306	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+K-2H"	36.948606
"956767"	327.113894	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-H+HCOOH"	44.998194
"373892"	609.229601	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+HCOOH-H"	44.998201
"357411"	623.245251	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+Hac-H"	59.013851
"1501866"	341.129551	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Hac-H"	59.013851
"967220"	349.095851	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-H+NaCOOH"	66.980151
"115033"	317.085102	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+2Cl"	69.938804
"554227"	458.142952	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+2Cl"	69.938804
"1026673"	176.027252	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2Cl"	69.938804
"1242971"	361.034585	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Br"	78.918885
"1304931"	363.090572	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Cl+HCOOH"	80.974872
"1321821"	385.072529	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Cl+NaCOOH"	102.956829
"913973"	395.101286	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M-H+CF3COOH"	112.985586
"1301992"	431.077964	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Cl+CF3COOH"	148.962264
"1376503"	247.103024	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H-2H2O"	-35.012676
"1395094"	265.113	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H-H2O"	-17.0027
"292598"	565.238676	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+H"	1.007276
"689757"	847.354376	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+H"	1.007276
"1365376"	283.122976	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H"	1.007276
"135351"	283.122976	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+2H"	2.014552
"574911"	424.180826	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+2H"	2.014552
"1047719"	142.065126	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2H"	2.014552
"211609"	189.084409333333	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+3H"	3.021828
"647158"	283.122976	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+3H"	3.021828
"1163824"	95.0458426666667	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+3H"	3.021828
"425398"	582.265223	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+NH4"	18.033823
"797946"	864.380923	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+NH4"	18.033823
"1692090"	300.149523	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+NH4"	18.033823
"338181"	291.6362495	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+H+NH4"	19.041099
"734974"	432.6940995	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+H+NH4"	19.041099
"1492098"	150.5783995	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H+NH4"	19.041099
"408305"	587.220618	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+Na"	22.989218
"769465"	869.336318	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+Na"	22.989218
"1618050"	305.104918	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Na"	22.989218
"329787"	294.113947	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+H+Na"	23.996494
"722089"	435.171797	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+H+Na"	23.996494
"1476395"	153.056097	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H+Na"	23.996494
"1067686"	102.373156666667	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2H+Na"	25.00377
"1270696"	315.149186	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+CH3OH+H"	33.033486
"388540"	603.194558	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+K"	38.963158
"751358"	885.310258	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+K"	38.963158
"1551223"	321.078858	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+K"	38.963158
"310950"	302.100917	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+H+K"	39.970434
"697905"	443.158767	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+H+K"	39.970434
"1450629"	161.043067	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H+K"	39.970434
"240321"	606.265226	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+ACN+H"	42.033826
"1215217"	324.149526	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+ACN+H"	42.033826
"1199101"	162.578401	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+ACN+2H"	43.041102
"195253"	609.20256	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+2Na-H"	44.97116
"632626"	891.31826	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+2Na-H"	44.97116
"1139414"	327.08686	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2Na-H"	44.97116
"176507"	305.104918	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+2Na"	45.978436
"616794"	446.162768	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+2Na"	45.978436
"1119207"	164.047068	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2Na"	45.978436
"1402730"	109.700470666667	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H+2Na"	46.985712
"1438136"	329.128446	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H+HCOOH"	47.012746
"230021"	310.13794	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+3H2O+2H"	56.04448
"1518081"	343.18049	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+IsoProp+H"	61.06479
"412662"	313.091888	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+Na+K"	61.952376
"772198"	454.149738	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+Na+K"	61.952376
"1670718"	172.034038	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Na+K"	61.952376
"257238"	628.247168	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+ACN+Na"	64.015768
"1234324"	346.131468	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+ACN+Na"	64.015768
"1721027"	346.154993	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+NH4+HCOOH"	64.039293
"1186382"	117.027784666667	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+3Na"	68.967654
"1654090"	351.110388	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Na+HCOOH"	68.994688
"158763"	641.15044	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+2K-H"	76.91904
"599051"	923.26614	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+2K-H"	76.91904
"1090489"	359.03474	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2K-H"	76.91904
"147304"	321.078858	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"2M+2K"	77.926316
"591244"	462.136708	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"3M+2K"	77.926316
"1080131"	180.021008	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2K"	77.926316
"1106782"	361.049292	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2K+H"	78.933592
"1340978"	361.136907	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+DMSO+H"	79.021207
"1011696"	365.176076	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2ACN+H"	83.060376
"1533102"	366.169708	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+IsoProp+Na+H"	84.054008
"996267"	183.091676	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+2ACN+2H"	84.067652
"1587857"	367.084328	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+K+HCOOH"	84.968628
"1416795"	397.115838	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+H+CF3COOH"	115.000138
"1152188"	203.604951	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+3ACN+2H"	125.094202
"1699553"	414.142385	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+NH4+CF3COOH"	132.026685
"1635203"	419.09778	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+Na+CF3COOH"	136.98208
"1571944"	435.07172	"C15084"	"23-Diphenyl-3-(2-pyridinyl)acrylonitrile"	"C20H14N2"	"282.1157"	"M+K+CF3COOH"	152.95602
"808876"	270.1984	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M"	0
"975847"	251.18001	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-H2O-H"	-19.01839
"65184"	179.124990666667	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M-3H"	-3.021828
"514588"	269.191124	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M-3H"	-3.021828
"885831"	89.0588573333333	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-3H"	-3.021828
"3310"	269.191124	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M-2H"	-2.014552
"443966"	404.290324	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M-2H"	-2.014552
"821768"	134.091924	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-2H"	-2.014552
"82851"	539.389524	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M-H"	-1.007276
"523506"	809.587924	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M-H"	-1.007276
"900213"	269.191124	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-H"	-1.007276
"53494"	556.416071	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M-2H+NH4"	16.019271
"491961"	826.614471	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M-2H+NH4"	16.019271
"870854"	286.217671	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-2H+NH4"	16.019271
"39849"	561.371466	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M-2H+Na"	20.974666
"476499"	831.569866	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M-2H+Na"	20.974666
"855032"	291.173066	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-2H+Na"	20.974666
"1624566"	291.173066	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Na-2H"	20.974666
"97810"	287.179463	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M-H+Cl"	33.962126
"535916"	422.278663	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M-H+Cl"	33.962126
"927973"	152.080263	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-H+Cl"	33.962126
"268720"	575.366202	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+Cl"	34.969402
"661874"	845.564602	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+Cl"	34.969402
"1275371"	305.167802	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Cl"	34.969402
"15894"	577.345406	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M-2H+K"	36.948606
"456512"	847.543806	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M-2H+K"	36.948606
"845142"	307.147006	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-2H+K"	36.948606
"1567904"	307.147006	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+K-2H"	36.948606
"956878"	315.196594	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-H+HCOOH"	44.998194
"374362"	585.395001	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+HCOOH-H"	44.998201
"359463"	599.410651	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+Hac-H"	59.013851
"1507079"	329.212251	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Hac-H"	59.013851
"968422"	337.178551	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-H+NaCOOH"	66.980151
"115143"	305.167802	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+2Cl"	69.938804
"555066"	440.267002	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+2Cl"	69.938804
"1025688"	170.068602	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2Cl"	69.938804
"1244174"	349.117285	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Br"	78.918885
"1304920"	351.173272	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Cl+HCOOH"	80.974872
"1321931"	373.155229	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Cl+NaCOOH"	102.956829
"914448"	383.183986	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M-H+CF3COOH"	112.985586
"1300275"	419.160664	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Cl+CF3COOH"	148.962264
"1376613"	235.185724	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H-2H2O"	-35.012676
"1390828"	253.1957	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H-H2O"	-17.0027
"296718"	541.404076	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+H"	1.007276
"690232"	811.602476	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+H"	1.007276
"1365488"	271.205676	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H"	1.007276
"138743"	271.205676	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+2H"	2.014552
"576480"	406.304876	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+2H"	2.014552
"1048558"	136.106476	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2H"	2.014552
"213906"	181.139542666667	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+3H"	3.021828
"648361"	271.205676	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+3H"	3.021828
"1164301"	91.0734093333333	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+3H"	3.021828
"427211"	558.430623	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+NH4"	18.033823
"799151"	828.629023	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+NH4"	18.033823
"1692201"	288.232223	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+NH4"	18.033823
"337197"	279.7189495	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+H+NH4"	19.041099
"732897"	414.8181495	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+H+NH4"	19.041099
"1492532"	144.6197495	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H+NH4"	19.041099
"408133"	563.386018	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+Na"	22.989218
"769655"	833.584418	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+Na"	22.989218
"1618337"	293.187618	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Na"	22.989218
"329926"	282.196647	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+H+Na"	23.996494
"722443"	417.295847	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+H+Na"	23.996494
"1477005"	147.097447	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H+Na"	23.996494
"1066944"	98.4007233333333	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2H+Na"	25.00377
"1270077"	303.231886	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+CH3OH+H"	33.033486
"389743"	579.359958	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+K"	38.963158
"745271"	849.558358	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+K"	38.963158
"1550604"	309.161558	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+K"	38.963158
"305592"	290.183617	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+H+K"	39.970434
"695826"	425.282817	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+H+K"	39.970434
"1450735"	155.084417	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H+K"	39.970434
"239338"	582.430626	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+ACN+H"	42.033826
"1215328"	312.232226	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+ACN+H"	42.033826
"1196295"	156.619751	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+ACN+2H"	43.041102
"196458"	585.36796	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+2Na-H"	44.97116
"636017"	855.56636	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+2Na-H"	44.97116
"1140618"	315.16956	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2Na-H"	44.97116
"175525"	293.187618	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+2Na"	45.978436
"616176"	428.286818	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+2Na"	45.978436
"1119318"	158.088418	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2Na"	45.978436
"1402841"	105.728037333333	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H+2Na"	46.985712
"1438246"	317.211146	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H+HCOOH"	47.012746
"232317"	298.22064	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+3H2O+2H"	56.04448
"1518191"	331.26319	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+IsoProp+H"	61.06479
"411315"	301.174588	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+Na+K"	61.952376
"771338"	436.273788	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+Na+K"	61.952376
"1669735"	166.075388	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Na+K"	61.952376
"256255"	604.412568	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+ACN+Na"	64.015768
"1237713"	334.214168	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+ACN+Na"	64.015768
"1724416"	334.237693	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+NH4+HCOOH"	64.039293
"1187584"	113.055351333333	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+3Na"	68.967654
"1652377"	339.193088	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Na+HCOOH"	68.994688
"159968"	617.31584	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+2K-H"	76.91904
"600254"	887.51424	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+2K-H"	76.91904
"1089503"	347.11744	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2K-H"	76.91904
"145227"	309.161558	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"2M+2K"	77.926316
"583571"	444.260758	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"3M+2K"	77.926316
"1078054"	174.062358	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2K"	77.926316
"1107985"	349.131992	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2K+H"	78.933592
"1341089"	349.219607	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+DMSO+H"	79.021207
"1012899"	353.258776	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2ACN+H"	83.060376
"1529932"	354.252408	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+IsoProp+Na+H"	84.054008
"995284"	177.133026	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+2ACN+2H"	84.067652
"1590883"	355.167028	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+K+HCOOH"	84.968628
"1416176"	385.198538	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+H+CF3COOH"	115.000138
"1149018"	197.646301	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+3ACN+2H"	125.094202
"1699663"	402.225085	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+NH4+CF3COOH"	132.026685
"1635313"	407.18048	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+Na+CF3COOH"	136.98208
"1571811"	423.15442	"C15085"	"17-Methyl-18-norandrosta-413(17)-dien-3-one"	"C19H26O"	"270.1984"	"M+K+CF3COOH"	152.95602
"808986"	352.1787	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M"	0
"974985"	333.16031	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"65294"	233.778524	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"512512"	351.171424	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"881567"	116.385624	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"2327"	351.171424	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"441522"	527.260774	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"821878"	175.082074	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"80775"	703.350124	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"522522"	1055.528824	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"899957"	351.171424	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"54696"	720.376671	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"492434"	1072.555371	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"868048"	368.197971	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"38865"	725.332066	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"479525"	1077.510766	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"854049"	373.153366	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1622490"	373.153366	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"95734"	369.159763	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"536391"	545.249113	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"927310"	193.070413	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"268466"	739.326802	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"666359"	1091.505502	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1275481"	387.148102	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"15903"	741.306006	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"459784"	1093.484706	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"845980"	389.127306	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1567647"	389.127306	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"955893"	397.176894	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"375565"	749.355601	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"358723"	763.371251	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1505365"	411.192551	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"964522"	419.158851	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"114524"	387.148102	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"555176"	563.237452	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1025434"	211.058752	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1242097"	431.097585	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1304543"	433.153572	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1320136"	455.135529	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"914558"	465.164286	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1300385"	501.140964	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1377816"	317.166024	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1390938"	335.176	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"295737"	705.364676	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"691072"	1057.543376	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1366813"	353.185976	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"139581"	353.185976	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"576954"	529.275326	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1049032"	177.096626	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"214016"	235.793076	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"648107"	353.185976	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1163033"	118.400176	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"429507"	722.391223	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"793788"	1074.569923	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1690122"	370.212523	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"337307"	361.6992495	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"731913"	537.7885995	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1490124"	185.6098995	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"406255"	727.346618	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"767979"	1079.525318	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1615714"	375.167918	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"329393"	364.176947	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"721816"	540.266297	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1476527"	188.087597	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1067418"	125.72749	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1272009"	385.212186	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"386573"	743.320558	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"746474"	1095.499258	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1545246"	391.141858	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"305702"	372.163917	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"697029"	548.253267	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1446474"	196.074567	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"239449"	746.391226	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1212158"	394.212526	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1196402"	197.609901	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"191462"	749.32856	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"632847"	1101.50726	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1137448"	397.14986	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"176365"	375.167918	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"616286"	551.257268	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1118335"	199.078568	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1400762"	133.054804	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1440543"	399.191446	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"230240"	380.20094	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1515021"	413.24349	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"411059"	383.154888	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"770962"	559.244238	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1668751"	207.065538	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"256365"	768.373168	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1236730"	416.194468	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1723432"	416.217993	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1188786"	140.382118	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1655402"	421.173388	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"159224"	781.27644	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"601823"	1133.45514	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1088521"	429.09774	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"146064"	391.141858	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"584897"	567.231208	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1070505"	215.052508	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1107002"	431.112292	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1342292"	431.199907	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1014102"	435.239076	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1530042"	436.232708	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"995394"	218.123176	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1590992"	437.147328	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1415558"	467.178838	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1152408"	238.636451	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1698679"	484.205385	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1635422"	489.16078	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1571557"	505.13472	"C15086"	"3-Allyloxyestra-135(10)7-tetraene-1617-dione dioxime"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"811284"	297.1365	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M"	0
"980442"	278.11811	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-H2O-H"	-19.01839
"73057"	197.083724	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M-3H"	-3.021828
"513715"	296.129224	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M-3H"	-3.021828
"884958"	98.038224	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-3H"	-3.021828
"5717"	296.129224	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M-2H"	-2.014552
"444186"	444.697474	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M-2H"	-2.014552
"823081"	147.560974	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-2H"	-2.014552
"83072"	593.265724	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M-H"	-1.007276
"523725"	890.402224	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M-H"	-1.007276
"900797"	296.129224	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-H"	-1.007276
"54807"	610.292271	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M-2H+NH4"	16.019271
"493274"	907.428771	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M-2H+NH4"	16.019271
"872168"	313.155771	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-2H+NH4"	16.019271
"40069"	615.247666	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M-2H+Na"	20.974666
"479636"	912.384166	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M-2H+Na"	20.974666
"855254"	318.111166	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-2H+Na"	20.974666
"1622600"	318.111166	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Na-2H"	20.974666
"96940"	314.117563	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M-H+Cl"	33.962126
"536501"	462.685813	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M-H+Cl"	33.962126
"928924"	165.549313	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-H+Cl"	33.962126
"267847"	629.242402	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+Cl"	34.969402
"663188"	926.378902	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+Cl"	34.969402
"1279967"	332.105902	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Cl"	34.969402
"18147"	631.221606	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M-2H+K"	36.948606
"459895"	928.358106	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M-2H+K"	36.948606
"844268"	334.085106	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-2H+K"	36.948606
"1565573"	334.085106	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+K-2H"	36.948606
"951268"	342.134694	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-H+HCOOH"	44.998194
"375675"	639.271201	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+HCOOH-H"	44.998201
"357738"	653.286851	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+Hac-H"	59.013851
"1499280"	356.150351	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Hac-H"	59.013851
"963539"	364.116651	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-H+NaCOOH"	66.980151
"117915"	332.105902	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+2Cl"	69.938804
"558204"	480.674152	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+2Cl"	69.938804
"1026272"	183.537652	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2Cl"	69.938804
"1244395"	376.055385	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Br"	78.918885
"1304410"	378.111372	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Cl+HCOOH"	80.974872
"1320324"	400.093329	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Cl+NaCOOH"	102.956829
"915761"	410.122086	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M-H+CF3COOH"	112.985586
"1300495"	446.098764	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Cl+CF3COOH"	148.962264
"1376833"	262.123824	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H-2H2O"	-35.012676
"1387768"	280.1338	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H-H2O"	-17.0027
"296211"	595.280276	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+H"	1.007276
"690655"	892.416776	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+H"	1.007276
"1366681"	298.143776	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H"	1.007276
"140420"	298.143776	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+2H"	2.014552
"577793"	446.712026	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+2H"	2.014552
"1048049"	149.575526	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2H"	2.014552
"213033"	199.098276	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+3H"	3.021828
"650403"	298.143776	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+3H"	3.021828
"1166344"	100.052776	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+3H"	3.021828
"425000"	612.306823	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+NH4"	18.033823
"793898"	909.443323	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+NH4"	18.033823
"1689136"	315.170323	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+NH4"	18.033823
"338507"	306.6570495	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+H+NH4"	19.041099
"732021"	455.2252995	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+H+NH4"	19.041099
"1491327"	158.0887995	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H+NH4"	19.041099
"408310"	617.262218	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+Na"	22.989218
"768455"	914.398718	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+Na"	22.989218
"1617890"	320.125718	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Na"	22.989218
"329628"	309.134747	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+H+Na"	23.996494
"722165"	457.702997	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+H+Na"	23.996494
"1475747"	160.566497	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H+Na"	23.996494
"1067409"	107.38009	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2H+Na"	25.00377
"1272123"	330.169986	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+CH3OH+H"	33.033486
"390694"	633.236158	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+K"	38.963158
"750959"	930.372658	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+K"	38.963158
"1549731"	336.099658	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+K"	38.963158
"311280"	317.121717	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+H+K"	39.970434
"702242"	465.689967	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+H+K"	39.970434
"1449866"	168.553467	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H+K"	39.970434
"238468"	636.306826	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+ACN+H"	42.033826
"1214453"	339.170326	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+ACN+H"	42.033826
"1199064"	170.088801	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+ACN+2H"	43.041102
"194488"	639.24416	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+2Na-H"	44.97116
"635145"	936.38066	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+2Na-H"	44.97116
"1138651"	342.10766	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2Na-H"	44.97116
"175384"	320.125718	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+2Na"	45.978436
"618221"	468.693968	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+2Na"	45.978436
"1118446"	171.557468	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2Na"	45.978436
"1401969"	114.707404	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H+2Na"	46.985712
"1443209"	344.149246	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H+HCOOH"	47.012746
"232537"	325.15874	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+3H2O+2H"	56.04448
"1515131"	358.20129	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+IsoProp+H"	61.06479
"411533"	328.112688	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+Na+K"	61.952376
"772531"	476.680938	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+Na+K"	61.952376
"1672143"	179.544438	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Na+K"	61.952376
"259392"	658.288768	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+ACN+Na"	64.015768
"1230278"	361.152268	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+ACN+Na"	64.015768
"1724635"	361.175793	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+NH4+HCOOH"	64.039293
"1186707"	122.034718	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+3Na"	68.967654
"1655512"	366.131188	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Na+HCOOH"	68.994688
"162372"	671.19204	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+2K-H"	76.91904
"600838"	968.32854	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+2K-H"	76.91904
"1088996"	374.05554	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2K-H"	76.91904
"143746"	336.099658	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"2M+2K"	77.926316
"583428"	484.667908	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"3M+2K"	77.926316
"1072439"	187.531408	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2K"	77.926316
"1108205"	376.070092	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2K+H"	78.933592
"1340215"	376.157707	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+DMSO+H"	79.021207
"1012025"	380.196876	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2ACN+H"	83.060376
"1527233"	381.190508	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+IsoProp+Na+H"	84.054008
"994411"	190.602076	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+2ACN+2H"	84.067652
"1591104"	382.105128	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+K+HCOOH"	84.968628
"1414937"	412.136638	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+H+CF3COOH"	115.000138
"1155800"	211.115351	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+3ACN+2H"	125.094202
"1706444"	429.163185	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+NH4+CF3COOH"	132.026685
"1637720"	434.11858	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+Na+CF3COOH"	136.98208
"1571667"	450.09252	"C15087"	"3-Hydroxyestra-135(10)7-tetraene-1617-dione 16-oxime"	"C18H19NO3"	"297.1365"	"M+K+CF3COOH"	152.95602
"803007"	362.2257	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M"	0
"981642"	343.20731	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"72072"	240.476524	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"506167"	361.218424	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"887251"	119.734624	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"4733"	361.218424	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"443197"	542.331274	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"827559"	180.105574	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"93017"	723.444124	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"531485"	1085.669824	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"910139"	361.218424	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"61722"	740.470671	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"495572"	1102.696371	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"875560"	378.244971	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"43461"	745.426066	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"483022"	1107.651766	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"857541"	383.200366	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1624887"	383.200366	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"100330"	379.206763	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"540984"	560.319613	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"931217"	198.093913	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"271967"	759.420802	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"660020"	1121.646502	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1273099"	397.195102	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"16552"	761.400006	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"457817"	1123.625706	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"833149"	399.174306	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1557288"	399.174306	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"943590"	407.223894	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"361683"	769.449601	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"347630"	783.465251	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1493425"	421.239551	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"959267"	429.205851	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"111088"	397.195102	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"550651"	578.307952	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1027476"	216.082252	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1244865"	441.144585	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1306220"	443.200572	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1321163"	465.182529	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"911976"	475.211286	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1300969"	511.187964	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1376943"	327.213024	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1387878"	345.223	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"297414"	725.458676	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"690562"	1087.684376	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1366391"	363.232976	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"140894"	363.232976	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"578996"	544.345826	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1048159"	182.120126	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"209863"	242.491076	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"651606"	363.232976	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1164266"	121.749176	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"424987"	742.485223	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"792914"	1104.710923	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1688153"	380.259523	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"334244"	371.7462495	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"729944"	552.8590995	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1491314"	190.6333995	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"405742"	747.440618	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"768203"	1109.666318	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1616665"	385.214918	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"328039"	374.223947	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"720087"	555.336797	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1475132"	193.111097	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1067155"	129.07649	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1270897"	395.259186	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"390075"	763.414558	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"748882"	1125.640258	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1549839"	401.188858	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"311390"	382.210917	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"701623"	563.323767	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1451068"	201.098067	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"242950"	766.485226	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1214927"	404.259526	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1199903"	202.633401	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"196784"	769.42256	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"638534"	1131.64826	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1142406"	407.19686	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"180959"	385.214918	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"617238"	566.327768	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1120742"	204.102068	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1405361"	136.403804	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1442227"	409.238446	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"229366"	390.24794	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1514147"	423.29049	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"413830"	393.201888	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"773005"	574.314738	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1670066"	212.089038	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"256586"	788.467168	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1229295"	426.241468	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1722556"	426.264993	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1186817"	143.731118	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1654890"	431.220388	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"162845"	801.37044	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"602769"	1163.59614	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1086554"	439.14474	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"143736"	401.188858	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"584024"	582.301708	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1075102"	220.076008	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1108315"	441.159292	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1338138"	441.246907	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1012135"	445.286076	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1526982"	446.279708	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"992332"	223.146676	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1588298"	447.194328	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1415780"	477.225838	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1155910"	243.659951	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1706554"	494.252385	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1637830"	499.20778	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1571453"	515.18172	"C15088"	"4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;4-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"802753"	273.1001	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M"	0
"982847"	254.08171	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-H2O-H"	-19.01839
"69996"	181.059457333333	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M-3H"	-3.021828
"511746"	272.092824	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M-3H"	-3.021828
"887361"	90.0260906666667	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-3H"	-3.021828
"7030"	272.092824	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M-2H"	-2.014552
"440389"	408.642874	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M-2H"	-2.014552
"822202"	135.542774	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-2H"	-2.014552
"83286"	545.192924	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M-H"	-1.007276
"525034"	818.293024	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M-H"	-1.007276
"903931"	272.092824	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-H"	-1.007276
"57214"	562.219471	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M-2H+NH4"	16.019271
"496776"	835.319571	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M-2H+NH4"	16.019271
"873487"	289.119371	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-2H+NH4"	16.019271
"43570"	567.174866	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M-2H+Na"	20.974666
"480944"	840.274966	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M-2H+Na"	20.974666
"854371"	294.074766	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-2H+Na"	20.974666
"1626092"	294.074766	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Na-2H"	20.974666
"101534"	290.081163	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M-H+Cl"	33.962126
"543281"	426.631213	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M-H+Cl"	33.962126
"929505"	153.531113	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-H+Cl"	33.962126
"268306"	581.169602	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+Cl"	34.969402
"660727"	854.269702	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+Cl"	34.969402
"1273494"	308.069502	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Cl"	34.969402
"21646"	583.148806	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M-2H+K"	36.948606
"457927"	856.248906	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M-2H+K"	36.948606
"833031"	310.048706	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-2H+K"	36.948606
"1557276"	310.048706	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+K-2H"	36.948606
"943457"	318.098294	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-H+HCOOH"	44.998194
"362036"	591.198401	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+HCOOH-H"	44.998201
"347375"	605.214051	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+Hac-H"	59.013851
"1494386"	332.113951	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Hac-H"	59.013851
"960832"	340.080251	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-H+NaCOOH"	66.980151
"110960"	308.069502	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+2Cl"	69.938804
"554776"	444.619552	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+2Cl"	69.938804
"1023213"	171.519452	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2Cl"	69.938804
"1248258"	352.018985	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Br"	78.918885
"1305239"	354.074972	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Cl+HCOOH"	80.974872
"1324193"	376.056929	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Cl+NaCOOH"	102.956829
"912696"	386.085686	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M-H+CF3COOH"	112.985586
"1288564"	422.062364	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Cl+CF3COOH"	148.962264
"1377053"	238.087424	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H-2H2O"	-35.012676
"1387259"	256.0974	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H-H2O"	-17.0027
"295335"	547.207476	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+H"	1.007276
"690306"	820.307576	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+H"	1.007276
"1366534"	274.107376	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H"	1.007276
"140883"	274.107376	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+2H"	2.014552
"579470"	410.657426	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+2H"	2.014552
"1048269"	137.557326	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2H"	2.014552
"211066"	183.074009333333	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+3H"	3.021828
"647344"	274.107376	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+3H"	3.021828
"1163037"	92.0406426666667	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+3H"	3.021828
"425464"	564.234023	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+NH4"	18.033823
"793024"	837.334123	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+NH4"	18.033823
"1687170"	291.133923	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+NH4"	18.033823
"335446"	282.6206495	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+H+NH4"	19.041099
"730054"	419.1706995	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+H+NH4"	19.041099
"1484973"	146.0705995	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H+NH4"	19.041099
"398184"	569.189418	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+Na"	22.989218
"766853"	842.289518	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+Na"	22.989218
"1617018"	296.089318	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Na"	22.989218
"328633"	285.098347	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+H+Na"	23.996494
"719954"	421.648397	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+H+Na"	23.996494
"1476456"	148.548297	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H+Na"	23.996494
"1067265"	99.3679566666667	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2H+Na"	25.00377
"1272182"	306.133586	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+CH3OH+H"	33.033486
"390185"	585.163358	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+K"	38.963158
"746806"	858.263458	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+K"	38.963158
"1548855"	312.063258	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+K"	38.963158
"309313"	293.085317	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+H+K"	39.970434
"699546"	429.635367	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+H+K"	39.970434
"1451176"	156.535267	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H+K"	39.970434
"243058"	588.234026	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+ACN+H"	42.033826
"1215037"	315.133926	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+ACN+H"	42.033826
"1199282"	158.070601	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+ACN+2H"	43.041102
"194340"	591.17136	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+2Na-H"	44.97116
"634269"	864.27146	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+2Na-H"	44.97116
"1138870"	318.07126	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2Na-H"	44.97116
"179976"	296.089318	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+2Na"	45.978436
"618444"	432.639368	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+2Na"	45.978436
"1119759"	159.539268	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2Na"	45.978436
"1404378"	106.695270666667	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H+2Na"	46.985712
"1444159"	320.112846	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H+HCOOH"	47.012746
"230570"	301.12234	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+3H2O+2H"	56.04448
"1515351"	334.16489	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+IsoProp+H"	61.06479
"413940"	304.076288	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+Na+K"	61.952376
"772750"	440.626338	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+Na+K"	61.952376
"1670176"	167.526238	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Na+K"	61.952376
"255603"	610.215968	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+ACN+Na"	64.015768
"1228312"	337.115868	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+ACN+Na"	64.015768
"1721574"	337.139393	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+NH4+HCOOH"	64.039293
"1184743"	114.022584666667	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+3Na"	68.967654
"1652450"	342.094788	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Na+HCOOH"	68.994688
"160768"	623.11924	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+2K-H"	76.91904
"602517"	896.21934	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+2K-H"	76.91904
"1086178"	350.01914	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2K-H"	76.91904
"144578"	312.063258	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"2M+2K"	77.926316
"584138"	448.613308	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"3M+2K"	77.926316
"1074119"	175.513208	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2K"	77.926316
"1111708"	352.033692	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2K+H"	78.933592
"1342623"	352.121307	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+DMSO+H"	79.021207
"1012248"	356.160476	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2ACN+H"	83.060376
"1527092"	357.154108	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+IsoProp+Na+H"	84.054008
"993540"	178.583876	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+2ACN+2H"	84.067652
"1595698"	358.068728	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+K+HCOOH"	84.968628
"1415890"	388.100238	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+H+CF3COOH"	115.000138
"1156020"	199.097151	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+3ACN+2H"	125.094202
"1706664"	405.126785	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+NH4+CF3COOH"	132.026685
"1637940"	410.08218	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+Na+CF3COOH"	136.98208
"1571767"	426.05612	"C15089"	"16-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid"	"C15H15NO4"	"273.1001"	"M+K+CF3COOH"	152.95602
"801466"	340.2038	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M"	0
"982957"	321.18541	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-H2O-H"	-19.01839
"66825"	225.795257333333	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M-3H"	-3.021828
"509669"	339.196524	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M-3H"	-3.021828
"887471"	112.393990666667	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-3H"	-3.021828
"4952"	339.196524	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M-2H"	-2.014552
"440865"	509.298424	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M-2H"	-2.014552
"822312"	169.094624	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-2H"	-2.014552
"84489"	679.400324	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M-H"	-1.007276
"526239"	1019.604124	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M-H"	-1.007276
"905139"	339.196524	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-H"	-1.007276
"54047"	696.426871	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M-2H+NH4"	16.019271
"494701"	1036.630671	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M-2H+NH4"	16.019271
"872504"	356.223071	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-2H+NH4"	16.019271
"42591"	701.382266	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M-2H+Na"	20.974666
"479965"	1041.586066	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M-2H+Na"	20.974666
"857399"	361.178466	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-2H+Na"	20.974666
"1627297"	361.178466	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Na-2H"	20.974666
"102738"	357.184863	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M-H+Cl"	33.962126
"544485"	527.286763	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M-H+Cl"	33.962126
"933625"	187.082963	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-H+Cl"	33.962126
"268661"	715.377002	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+Cl"	34.969402
"661328"	1055.580802	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+Cl"	34.969402
"1278103"	375.173202	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Cl"	34.969402
"18476"	717.356206	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M-2H+K"	36.948606
"458037"	1057.560006	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M-2H+K"	36.948606
"833045"	377.152406	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-2H+K"	36.948606
"1556042"	377.152406	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+K-2H"	36.948606
"943568"	385.201994	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-H+HCOOH"	44.998194
"362875"	725.405801	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+HCOOH-H"	44.998201
"346512"	739.421451	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+Hac-H"	59.013851
"1495594"	399.217651	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Hac-H"	59.013851
"960215"	407.183951	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-H+NaCOOH"	66.980151
"110949"	375.173202	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+2Cl"	69.938804
"553428"	545.275102	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+2Cl"	69.938804
"1024781"	205.071302	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2Cl"	69.938804
"1248368"	419.122685	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Br"	78.918885
"1305350"	421.178672	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Cl+HCOOH"	80.974872
"1325762"	443.160629	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Cl+NaCOOH"	102.956829
"913173"	453.189386	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M-H+CF3COOH"	112.985586
"1289880"	489.166064	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Cl+CF3COOH"	148.962264
"1367201"	305.191124	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H-2H2O"	-35.012676
"1383231"	323.2011	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H-H2O"	-17.0027
"296538"	681.414876	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+H"	1.007276
"687500"	1021.618676	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+H"	1.007276
"1357653"	341.211076	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H"	1.007276
"140264"	341.211076	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+2H"	2.014552
"576664"	511.312976	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+2H"	2.014552
"1045463"	171.109176	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2H"	2.014552
"210083"	227.809809333333	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+3H"	3.021828
"645268"	341.211076	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+3H"	3.021828
"1162771"	114.408542666667	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+3H"	3.021828
"425695"	698.441423	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+NH4"	18.033823
"792040"	1038.645223	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+NH4"	18.033823
"1687278"	358.237623	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+NH4"	18.033823
"335554"	349.7243495	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+H+NH4"	19.041099
"726155"	519.8262495	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+H+NH4"	19.041099
"1481796"	179.6224495	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H+NH4"	19.041099
"397194"	703.396818	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+Na"	22.989218
"761843"	1043.600618	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+Na"	22.989218
"1616762"	363.193018	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Na"	22.989218
"328740"	352.202047	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+H+Na"	23.996494
"722128"	522.303947	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+H+Na"	23.996494
"1476074"	182.100147	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H+Na"	23.996494
"1066036"	121.735856666667	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2H+Na"	25.00377
"1269533"	373.237286	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+CH3OH+H"	33.033486
"390295"	719.370758	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+K"	38.963158
"749102"	1059.574558	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+K"	38.963158
"1547872"	379.166958	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+K"	38.963158
"307236"	360.189017	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+H+K"	39.970434
"694553"	530.290917	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+H+K"	39.970434
"1451287"	190.087117	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H+K"	39.970434
"239888"	722.441426	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+ACN+H"	42.033826
"1214783"	382.237626	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+ACN+H"	42.033826
"1199756"	191.622451	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+ACN+2H"	43.041102
"191535"	725.37876	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+2Na-H"	44.97116
"634376"	1065.58256	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+2Na-H"	44.97116
"1135694"	385.17496	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2Na-H"	44.97116
"175709"	363.193018	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+2Na"	45.978436
"619645"	533.294918	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+2Na"	45.978436
"1117195"	193.091118	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2Na"	45.978436
"1403394"	129.063170666667	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H+2Na"	46.985712
"1431373"	387.216546	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H+HCOOH"	47.012746
"224112"	368.22604	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+3H2O+2H"	56.04448
"1514367"	401.26859	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+IsoProp+H"	61.06479
"414050"	371.179988	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+Na+K"	61.952376
"772860"	541.281888	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+Na+K"	61.952376
"1667006"	201.078088	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Na+K"	61.952376
"255713"	744.423368	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+ACN+Na"	64.015768
"1226717"	404.219568	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+ACN+Na"	64.015768
"1721684"	404.243093	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+NH4+HCOOH"	64.039293
"1184853"	136.390484666667	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+3Na"	68.967654
"1653653"	409.198488	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Na+HCOOH"	68.994688
"164157"	757.32664	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+2K-H"	76.91904
"604446"	1097.53044	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+2K-H"	76.91904
"1087140"	417.12284	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2K-H"	76.91904
"145781"	379.166958	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"2M+2K"	77.926316
"585341"	549.268858	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"3M+2K"	77.926316
"1076416"	209.065058	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2K"	77.926316
"1114000"	419.137392	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2K+H"	78.933592
"1349292"	419.225007	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+DMSO+H"	79.021207
"1015635"	423.264176	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2ACN+H"	83.060376
"1529388"	424.257808	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+IsoProp+Na+H"	84.054008
"992556"	212.135726	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+2ACN+2H"	84.067652
"1594715"	425.172428	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+K+HCOOH"	84.968628
"1416000"	455.203938	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+H+CF3COOH"	115.000138
"1157224"	232.649001	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+3ACN+2H"	125.094202
"1706774"	472.230485	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+NH4+CF3COOH"	132.026685
"1638050"	477.18588	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+Na+CF3COOH"	136.98208
"1571875"	493.15982	"C15090"	"17-Hydroxy-3-oxo-17alpha-pregna-14-diene-21-carboxylic acid gamma-lactone"	"C22H28O3"	"340.2038"	"M+K+CF3COOH"	152.95602
"809534"	348.2101	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M"	0
"983067"	329.19171	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-H2O-H"	-19.01839
"66935"	231.132790666667	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M-3H"	-3.021828
"516341"	347.202824	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M-3H"	-3.021828
"891959"	115.062757333333	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-3H"	-3.021828
"10530"	347.202824	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M-2H"	-2.014552
"444624"	521.307874	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M-2H"	-2.014552
"823517"	173.097774	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-2H"	-2.014552
"83509"	695.412924	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M-H"	-1.007276
"530725"	1043.623024	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M-H"	-1.007276
"904157"	347.202824	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-H"	-1.007276
"55253"	712.439471	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M-2H+NH4"	16.019271
"499186"	1060.649571	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M-2H+NH4"	16.019271
"876987"	364.229371	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-2H+NH4"	16.019271
"44890"	717.394866	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M-2H+Na"	20.974666
"480075"	1065.604966	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M-2H+Na"	20.974666
"857873"	369.184766	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-2H+Na"	20.974666
"1625223"	369.184766	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Na-2H"	20.974666
"99568"	365.191163	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M-H+Cl"	33.962126
"541314"	539.296213	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M-H+Cl"	33.962126
"932644"	191.086113	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-H+Cl"	33.962126
"268044"	731.389602	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+Cl"	34.969402
"659991"	1079.599702	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+Cl"	34.969402
"1280400"	383.179502	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Cl"	34.969402
"16232"	733.368806	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M-2H+K"	36.948606
"459238"	1081.578906	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M-2H+K"	36.948606
"833111"	385.158706	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-2H+K"	36.948606
"1556160"	385.158706	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+K-2H"	36.948606
"943678"	393.208294	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-H+HCOOH"	44.998194
"362742"	741.418401	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+HCOOH-H"	44.998201
"347229"	755.434051	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+Hac-H"	59.013851
"1493517"	407.223951	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Hac-H"	59.013851
"959965"	415.190251	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-H+NaCOOH"	66.980151
"112152"	383.179502	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+2Cl"	69.938804
"556090"	557.284552	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+2Cl"	69.938804
"1028539"	209.074452	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2Cl"	69.938804
"1252488"	427.128985	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Br"	78.918885
"1308742"	429.184972	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Cl+HCOOH"	80.974872
"1328061"	451.166929	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Cl+NaCOOH"	102.956829
"916201"	461.195686	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M-H+CF3COOH"	112.985586
"1290354"	497.172364	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Cl+CF3COOH"	148.962264
"1367425"	313.197424	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H-2H2O"	-35.012676
"1383829"	331.2074	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H-H2O"	-17.0027
"297745"	697.427476	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+H"	1.007276
"687611"	1045.637576	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+H"	1.007276
"1357763"	349.217376	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H"	1.007276
"139037"	349.217376	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+2H"	2.014552
"576410"	523.322426	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+2H"	2.014552
"1045573"	175.112326	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2H"	2.014552
"213109"	233.147342666667	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+3H"	3.021828
"646472"	349.217376	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+3H"	3.021828
"1162924"	117.077309333333	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+3H"	3.021828
"424423"	714.454023	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+NH4"	18.033823
"791056"	1062.664123	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+NH4"	18.033823
"1685198"	366.243923	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+NH4"	18.033823
"335664"	357.7306495	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+H+NH4"	19.041099
"726994"	531.8356995	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+H+NH4"	19.041099
"1478624"	183.6255995	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H+NH4"	19.041099
"394385"	719.409418	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+Na"	22.989218
"758298"	1067.619518	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+Na"	22.989218
"1618384"	371.199318	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Na"	22.989218
"329335"	360.208347	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+H+Na"	23.996494
"722565"	534.313397	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+H+Na"	23.996494
"1473632"	186.103297	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H+Na"	23.996494
"1067241"	124.404623333333	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2H+Na"	25.00377
"1269643"	381.243586	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+CH3OH+H"	33.033486
"391498"	735.383358	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+K"	38.963158
"749211"	1083.593458	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+K"	38.963158
"1546889"	387.173258	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+K"	38.963158
"304066"	368.195317	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+H+K"	39.970434
"694299"	542.300367	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+H+K"	39.970434
"1447753"	194.090267	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H+K"	39.970434
"239997"	738.454026	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+ACN+H"	42.033826
"1215985"	390.243926	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+ACN+H"	42.033826
"1204241"	195.625601	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+ACN+2H"	43.041102
"194197"	741.39136	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+2Na-H"	44.97116
"634486"	1089.60146	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+2Na-H"	44.97116
"1135440"	393.18126	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2Na-H"	44.97116
"175819"	371.199318	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+2Na"	45.978436
"616476"	545.304368	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+2Na"	45.978436
"1117063"	197.094268	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2Na"	45.978436
"1403504"	131.731937333333	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H+2Na"	46.985712
"1430876"	395.222846	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H+HCOOH"	47.012746
"224223"	376.23234	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+3H2O+2H"	56.04448
"1513384"	409.27489	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+IsoProp+H"	61.06479
"411245"	379.186288	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+Na+K"	61.952376
"774064"	553.291338	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+Na+K"	61.952376
"1667116"	205.081238	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Na+K"	61.952376
"255823"	760.435968	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+ACN+Na"	64.015768
"1229623"	412.225868	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+ACN+Na"	64.015768
"1719608"	412.249393	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+NH4+HCOOH"	64.039293
"1186056"	139.059251333333	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+3Na"	68.967654
"1653764"	417.204788	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Na+HCOOH"	68.994688
"161352"	773.33924	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+2K-H"	76.91904
"602370"	1121.54934	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+2K-H"	76.91904
"1087981"	425.12914	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2K-H"	76.91904
"146985"	387.173258	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"2M+2K"	77.926316
"585451"	561.278308	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"3M+2K"	77.926316
"1078713"	213.068208	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2K"	77.926316
"1110830"	427.143692	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2K+H"	78.933592
"1348309"	427.231307	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+DMSO+H"	79.021207
"1012465"	431.270476	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2ACN+H"	83.060376
"1529498"	432.264108	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+IsoProp+Na+H"	84.054008
"992665"	216.138876	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+2ACN+2H"	84.067652
"1589358"	433.178728	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+K+HCOOH"	84.968628
"1419390"	463.210238	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+H+CF3COOH"	115.000138
"1156241"	236.652151	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+3ACN+2H"	125.094202
"1706884"	480.236785	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+NH4+CF3COOH"	132.026685
"1638160"	485.19218	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+Na+CF3COOH"	136.98208
"1572351"	501.16612	"C15091"	"9-Fluoro-17beta-hydroxy-6alpha17-dimethylandrost-4-ene-311-dione"	"C21H29FO3"	"348.2101"	"M+K+CF3COOH"	152.95602
"803083"	334.1944	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M"	0
"983178"	315.17601	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-H2O-H"	-19.01839
"69233"	221.788990666667	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M-3H"	-3.021828
"507701"	333.187124	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M-3H"	-3.021828
"887693"	110.390857333333	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-3H"	-3.021828
"12826"	333.187124	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M-2H"	-2.014552
"442547"	500.284324	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M-2H"	-2.014552
"820348"	166.089924	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-2H"	-2.014552
"83620"	667.381524	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M-H"	-1.007276
"525368"	1001.575924	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M-H"	-1.007276
"902078"	333.187124	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-H"	-1.007276
"56454"	684.408071	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M-2H+NH4"	16.019271
"498204"	1018.602471	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M-2H+NH4"	16.019271
"874912"	350.213671	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-2H+NH4"	16.019271
"42811"	689.363466	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M-2H+Na"	20.974666
"476902"	1023.557866	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M-2H+Na"	20.974666
"849239"	355.169066	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-2H+Na"	20.974666
"1627523"	355.169066	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Na-2H"	20.974666
"98586"	351.175463	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M-H+Cl"	33.962126
"545800"	518.272663	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M-H+Cl"	33.962126
"932755"	184.078263	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-H+Cl"	33.962126
"268154"	703.358202	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+Cl"	34.969402
"660330"	1037.552602	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+Cl"	34.969402
"1280510"	369.163802	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Cl"	34.969402
"21976"	705.337406	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M-2H+K"	36.948606
"458255"	1039.531806	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M-2H+K"	36.948606
"832978"	371.143006	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-2H+K"	36.948606
"1558824"	371.143006	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+K-2H"	36.948606
"942930"	379.192594	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-H+HCOOH"	44.998194
"361880"	713.387001	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+HCOOH-H"	44.998201
"346618"	727.402651	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+Hac-H"	59.013851
"1496182"	393.208251	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Hac-H"	59.013851
"960436"	401.174551	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-H+NaCOOH"	66.980151
"111658"	369.163802	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+2Cl"	69.938804
"555836"	536.261002	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+2Cl"	69.938804
"1029743"	202.066602	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2Cl"	69.938804
"1252963"	413.113285	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Br"	78.918885
"1310675"	415.169272	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Cl+HCOOH"	80.974872
"1327077"	437.151229	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Cl+NaCOOH"	102.956829
"920321"	447.179986	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M-H+CF3COOH"	112.985586
"1288644"	483.156664	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Cl+CF3COOH"	148.962264
"1367253"	299.181724	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H-2H2O"	-35.012676
"1383941"	317.1917	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H-H2O"	-17.0027
"294205"	669.396076	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+H"	1.007276
"689666"	1003.590476	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+H"	1.007276
"1362978"	335.201676	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H"	1.007276
"136231"	335.201676	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+2H"	2.014552
"576520"	502.298876	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+2H"	2.014552
"1044590"	168.104476	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2H"	2.014552
"212127"	223.803542666667	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+3H"	3.021828
"649864"	335.201676	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+3H"	3.021828
"1162879"	112.405409333333	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+3H"	3.021828
"424575"	686.422623	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+NH4"	18.033823
"792259"	1020.617023	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+NH4"	18.033823
"1684215"	352.228223	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+NH4"	18.033823
"335774"	343.7149495	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+H+NH4"	19.041099
"727104"	510.8121495	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+H+NH4"	19.041099
"1478126"	176.6177495	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H+NH4"	19.041099
"397410"	691.378018	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+Na"	22.989218
"757315"	1025.572418	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+Na"	22.989218
"1614182"	357.183618	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Na"	22.989218
"326404"	346.192647	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+H+Na"	23.996494
"721011"	513.289847	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+H+Na"	23.996494
"1474836"	179.095447	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H+Na"	23.996494
"1067349"	119.732723333333	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2H+Na"	25.00377
"1267566"	367.227886	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+CH3OH+H"	33.033486
"385048"	707.351958	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+K"	38.963158
"741668"	1041.546358	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+K"	38.963158
"1544812"	373.157558	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+K"	38.963158
"300896"	354.179617	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+H+K"	39.970434
"692221"	521.276817	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+H+K"	39.970434
"1447132"	187.082417	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H+K"	39.970434
"240105"	710.422626	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+ACN+H"	42.033826
"1215001"	376.228226	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+ACN+H"	42.033826
"1201072"	188.617751	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+ACN+2H"	43.041102
"193943"	713.35996	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+2Na-H"	44.97116
"633503"	1047.55436	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+2Na-H"	44.97116
"1135550"	379.16556	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2Na-H"	44.97116
"173984"	357.183618	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+2Na"	45.978436
"614399"	524.280818	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+2Na"	45.978436
"1120093"	190.086418	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2Na"	45.978436
"1407628"	127.060037333333	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H+2Na"	46.985712
"1432451"	381.207146	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H+HCOOH"	47.012746
"224336"	362.21664	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+3H2O+2H"	56.04448
"1511306"	395.25919	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+IsoProp+H"	61.06479
"410992"	365.170588	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+Na+K"	61.952376
"770200"	532.267788	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+Na+K"	61.952376
"1667226"	198.073388	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Na+K"	61.952376
"255933"	732.404568	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+ACN+Na"	64.015768
"1227546"	398.210168	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+ACN+Na"	64.015768
"1718625"	398.233693	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+NH4+HCOOH"	64.039293
"1182886"	134.387351333333	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+3Na"	68.967654
"1654967"	403.189088	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Na+HCOOH"	68.994688
"159640"	745.30784	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+2K-H"	76.91904
"602480"	1079.50224	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+2K-H"	76.91904
"1086631"	411.11344	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2K-H"	76.91904
"144177"	373.157558	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"2M+2K"	77.926316
"584467"	540.254758	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"3M+2K"	77.926316
"1071533"	206.060358	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2K"	77.926316
"1107660"	413.127992	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2K+H"	78.933592
"1346233"	413.215607	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+DMSO+H"	79.021207
"1018040"	417.254776	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2ACN+H"	83.060376
"1531793"	418.248408	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+IsoProp+Na+H"	84.054008
"992776"	209.131026	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+2ACN+2H"	84.067652
"1589468"	419.163028	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+K+HCOOH"	84.968628
"1421687"	449.194538	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+H+CF3COOH"	115.000138
"1156349"	229.644301	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+3ACN+2H"	125.094202
"1706994"	466.221085	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+NH4+CF3COOH"	132.026685
"1634990"	471.17648	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+Na+CF3COOH"	136.98208
"1575010"	487.15042	"C15092"	"9-Fluoro-11beta17beta-dihydroxy-16alpha-methylandrosta-14-dien-3-one"	"C20H27FO3"	"334.1944"	"M+K+CF3COOH"	152.95602
"801855"	292.2202	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M"	0
"983288"	273.20181	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-H2O-H"	-19.01839
"68249"	193.806190666667	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M-3H"	-3.021828
"503799"	291.212924	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M-3H"	-3.021828
"888896"	96.3994573333333	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-3H"	-3.021828
"10749"	291.212924	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M-2H"	-2.014552
"447031"	437.323024	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M-2H"	-2.014552
"821551"	145.102824	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-2H"	-2.014552
"82636"	583.433124	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M-H"	-1.007276
"526571"	875.653324	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M-H"	-1.007276
"901095"	291.212924	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-H"	-1.007276
"55471"	600.459671	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M-2H+NH4"	16.019271
"493939"	892.679871	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M-2H+NH4"	16.019271
"873929"	308.239471	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-2H+NH4"	16.019271
"41827"	605.415066	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M-2H+Na"	20.974666
"475918"	897.635266	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M-2H+Na"	20.974666
"853723"	313.194866	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-2H+Na"	20.974666
"1626540"	313.194866	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Na-2H"	20.974666
"104163"	309.201263	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M-H+Cl"	33.962126
"547733"	455.311363	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M-H+Cl"	33.962126
"937238"	163.091163	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-H+Cl"	33.962126
"268871"	619.409802	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+Cl"	34.969402
"661170"	911.630002	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+Cl"	34.969402
"1283900"	327.189602	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Cl"	34.969402
"22086"	621.389006	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M-2H+K"	36.948606
"458365"	913.609206	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M-2H+K"	36.948606
"833091"	329.168806	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-2H+K"	36.948606
"1556747"	329.168806	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+K-2H"	36.948606
"943409"	337.218394	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-H+HCOOH"	44.998194
"362842"	629.438601	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+HCOOH-H"	44.998201
"347091"	643.454251	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+Hac-H"	59.013851
"1497384"	351.234051	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Hac-H"	59.013851
"959820"	359.200351	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-H+NaCOOH"	66.980151
"113103"	327.189602	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+2Cl"	69.938804
"555946"	473.299702	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+2Cl"	69.938804
"1032040"	181.079502	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2Cl"	69.938804
"1253073"	371.139085	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Br"	78.918885
"1312974"	373.195072	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Cl+HCOOH"	80.974872
"1331561"	395.177029	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Cl+NaCOOH"	102.956829
"920431"	405.205786	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M-H+CF3COOH"	112.985586
"1290943"	441.182464	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Cl+CF3COOH"	148.962264
"1369106"	257.207524	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H-2H2O"	-35.012676
"1387696"	275.2175	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H-H2O"	-17.0027
"291399"	585.447676	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+H"	1.007276
"690018"	877.667876	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+H"	1.007276
"1363088"	293.227476	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H"	1.007276
"136341"	293.227476	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+2H"	2.014552
"575901"	439.337576	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+2H"	2.014552
"1047980"	147.117376	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2H"	2.014552
"214788"	195.820742666667	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+3H"	3.021828
"652161"	293.227476	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+3H"	3.021828
"1165178"	98.4140093333333	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+3H"	3.021828
"425171"	602.474223	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+NH4"	18.033823
"789088"	894.694423	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+NH4"	18.033823
"1684325"	310.254023	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+NH4"	18.033823
"335884"	301.7407495	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+H+NH4"	19.041099
"729400"	447.8508495	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+H+NH4"	19.041099
"1477994"	155.6306495	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H+NH4"	19.041099
"394970"	607.429618	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+Na"	22.989218
"758519"	899.649818	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+Na"	22.989218
"1612105"	315.209418	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Na"	22.989218
"325420"	304.218447	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+H+Na"	23.996494
"721121"	450.328547	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+H+Na"	23.996494
"1474582"	158.108347	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H+Na"	23.996494
"1067217"	105.741323333333	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2H+Na"	25.00377
"1267676"	325.253686	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+CH3OH+H"	33.033486
"385158"	623.403558	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+K"	38.963158
"743964"	915.623758	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+K"	38.963158
"1543829"	331.183358	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+K"	38.963158
"301734"	312.205417	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+H+K"	39.970434
"694154"	458.315517	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+H+K"	39.970434
"1446880"	166.095317	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H+K"	39.970434
"239124"	626.474226	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+ACN+H"	42.033826
"1215113"	334.254026	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+ACN+H"	42.033826
"1200088"	167.630651	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+ACN+2H"	43.041102
"192959"	629.41156	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+2Na-H"	44.97116
"632520"	921.63176	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+2Na-H"	44.97116
"1134932"	337.19136	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2Na-H"	44.97116
"174946"	315.209418	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+2Na"	45.978436
"615602"	461.319518	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+2Na"	45.978436
"1121296"	169.099318	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2Na"	45.978436
"1404822"	113.068637333333	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H+2Na"	46.985712
"1433654"	339.232946	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H+HCOOH"	47.012746
"225539"	320.24244	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+3H2O+2H"	56.04448
"1511416"	353.28499	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+IsoProp+H"	61.06479
"411102"	323.196388	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+Na+K"	61.952376
"772097"	469.306488	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+Na+K"	61.952376
"1667336"	177.086288	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Na+K"	61.952376
"253857"	648.456168	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+ACN+Na"	64.015768
"1226927"	356.235968	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+ACN+Na"	64.015768
"1715454"	356.259493	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+NH4+HCOOH"	64.039293
"1182996"	120.395951333333	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+3Na"	68.967654
"1657265"	361.214888	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Na+HCOOH"	68.994688
"160846"	661.35944	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+2K-H"	76.91904
"599310"	953.57964	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+2K-H"	76.91904
"1089294"	369.13924	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2K-H"	76.91904
"147205"	331.183358	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"2M+2K"	77.926316
"586764"	477.293458	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"3M+2K"	77.926316
"1073466"	185.073258	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2K"	77.926316
"1107770"	371.153792	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2K+H"	78.933592
"1344155"	371.241407	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+DMSO+H"	79.021207
"1018150"	375.280576	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2ACN+H"	83.060376
"1530808"	376.274208	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+IsoProp+Na+H"	84.054008
"997257"	188.143926	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+2ACN+2H"	84.067652
"1588483"	377.188828	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+K+HCOOH"	84.968628
"1416329"	407.220338	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+H+CF3COOH"	115.000138
"1156459"	208.657201	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+3ACN+2H"	125.094202
"1706011"	424.246885	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+NH4+CF3COOH"	132.026685
"1635100"	429.20228	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+Na+CF3COOH"	136.98208
"1574027"	445.17622	"C15093"	"3beta-Fluoroandrost-5-en-17beta-ol"	"C19H29FO"	"292.2202"	"M+K+CF3COOH"	152.95602
"809864"	295.1321	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M"	0
"983398"	276.11371	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-H2O-H"	-19.01839
"65079"	195.747457333333	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M-3H"	-3.021828
"503338"	294.124824	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M-3H"	-3.021828
"890099"	97.3700906666667	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-3H"	-3.021828
"7579"	294.124824	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M-2H"	-2.014552
"441674"	441.690874	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M-2H"	-2.014552
"821661"	146.558774	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-2H"	-2.014552
"86027"	589.256924	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M-H"	-1.007276
"527775"	884.389024	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M-H"	-1.007276
"903392"	294.124824	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-H"	-1.007276
"56675"	606.283471	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M-2H+NH4"	16.019271
"494049"	901.415571	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M-2H+NH4"	16.019271
"876226"	311.151371	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-2H+NH4"	16.019271
"41937"	611.238866	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M-2H+Na"	20.974666
"478214"	906.370966	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M-2H+Na"	20.974666
"853835"	316.106766	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-2H+Na"	20.974666
"1626650"	316.106766	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Na-2H"	20.974666
"104273"	312.113163	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M-H+Cl"	33.962126
"546021"	459.679213	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M-H+Cl"	33.962126
"939536"	164.547113	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-H+Cl"	33.962126
"271533"	625.233602	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+Cl"	34.969402
"662496"	920.365702	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+Cl"	34.969402
"1277451"	330.101502	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Cl"	34.969402
"24381"	627.212806	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M-2H+K"	36.948606
"460662"	922.344906	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M-2H+K"	36.948606
"833489"	332.080706	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-2H+K"	36.948606
"1557951"	332.080706	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+K-2H"	36.948606
"943641"	340.130294	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-H+HCOOH"	44.998194
"363683"	635.262401	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+HCOOH-H"	44.998201
"347563"	649.278051	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+Hac-H"	59.013851
"1499685"	354.145951	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Hac-H"	59.013851
"959565"	362.112251	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-H+NaCOOH"	66.980151
"112120"	330.101502	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+2Cl"	69.938804
"556056"	477.667552	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+2Cl"	69.938804
"1028870"	182.535452	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2Cl"	69.938804
"1251725"	374.050985	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Br"	78.918885
"1314176"	376.106972	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Cl+HCOOH"	80.974872
"1331308"	398.088929	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Cl+NaCOOH"	102.956829
"920543"	408.117686	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M-H+CF3COOH"	112.985586
"1290689"	444.094364	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Cl+CF3COOH"	148.962264
"1367392"	260.119424	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H-2H2O"	-35.012676
"1387442"	278.1294	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H-H2O"	-17.0027
"291509"	591.271476	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+H"	1.007276
"688304"	886.403576	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+H"	1.007276
"1361372"	296.139376	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H"	1.007276
"136451"	296.139376	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+2H"	2.014552
"576011"	443.705426	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+2H"	2.014552
"1048090"	148.573326	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2H"	2.014552
"215991"	197.762009333333	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+3H"	3.021828
"654457"	296.139376	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+3H"	3.021828
"1166019"	99.3846426666667	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+3H"	3.021828
"427105"	608.298023	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+NH4"	18.033823
"789198"	903.430123	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+NH4"	18.033823
"1683342"	313.165923	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+NH4"	18.033823
"335994"	304.6526495	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+H+NH4"	19.041099
"728418"	452.2186995	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+H+NH4"	19.041099
"1477374"	157.0865995	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H+NH4"	19.041099
"393624"	613.253418	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+Na"	22.989218
"757536"	908.385518	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+Na"	22.989218
"1614401"	318.121318	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Na"	22.989218
"326623"	307.130347	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+H+Na"	23.996494
"720867"	454.696397	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+H+Na"	23.996494
"1475785"	159.564297	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H+Na"	23.996494
"1068054"	106.711956666667	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2H+Na"	25.00377
"1269973"	328.165586	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+CH3OH+H"	33.033486
"385268"	629.227358	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+K"	38.963158
"745168"	924.359458	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+K"	38.963158
"1546126"	334.095258	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+K"	38.963158
"304396"	315.117317	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+H+K"	39.970434
"691468"	462.683367	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+H+K"	39.970434
"1447353"	167.551267	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H+K"	39.970434
"240328"	632.298026	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+ACN+H"	42.033826
"1217409"	337.165926	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+ACN+H"	42.033826
"1200199"	169.086601	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+ACN+2H"	43.041102
"194162"	635.23536	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+2Na-H"	44.97116
"633358"	930.36746	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+2Na-H"	44.97116
"1135042"	340.10326	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2Na-H"	44.97116
"176148"	318.121318	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+2Na"	45.978436
"614860"	465.687368	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+2Na"	45.978436
"1120312"	170.555268	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2Na"	45.978436
"1403839"	114.039270666667	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H+2Na"	46.985712
"1434857"	342.144846	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H+HCOOH"	47.012746
"224556"	323.15434	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+3H2O+2H"	56.04448
"1512619"	356.19689	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+IsoProp+H"	61.06479
"412306"	326.108288	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+Na+K"	61.952376
"771235"	473.674338	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+Na+K"	61.952376
"1666107"	178.542238	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Na+K"	61.952376
"252874"	654.279968	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+ACN+Na"	64.015768
"1226068"	359.147868	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+ACN+Na"	64.015768
"1715564"	359.171393	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+NH4+HCOOH"	64.039293
"1183106"	121.366584666667	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+3Na"	68.967654
"1654093"	364.126788	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Na+HCOOH"	68.994688
"162049"	667.18324	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+2K-H"	76.91904
"600514"	962.31534	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+2K-H"	76.91904
"1089399"	372.05114	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2K-H"	76.91904
"142571"	334.095258	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"2M+2K"	77.926316
"584684"	481.661308	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"3M+2K"	77.926316
"1072482"	186.529208	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2K"	77.926316
"1102409"	374.065692	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2K+H"	78.933592
"1337704"	374.153307	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+DMSO+H"	79.021207
"1014980"	378.192476	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2ACN+H"	83.060376
"1530918"	379.186108	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+IsoProp+Na+H"	84.054008
"997367"	189.599876	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+2ACN+2H"	84.067652
"1595151"	380.100728	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+K+HCOOH"	84.968628
"1416439"	410.132238	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+H+CF3COOH"	115.000138
"1150008"	210.113151	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+3ACN+2H"	125.094202
"1707214"	427.158785	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+NH4+CF3COOH"	132.026685
"1638491"	432.11418	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+Na+CF3COOH"	136.98208
"1571329"	448.08812	"C15094"	"GYKI 52895;4-(89-Dihydro-8-methyl-7H-13-dioxolo45-h23benzodiazepin-5-yl)benzenamine"	"C17H17N3O2"	"295.1321"	"M+K+CF3COOH"	152.95602
"803412"	352.0583	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M"	0
"976947"	333.03991	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-H2O-H"	-19.01839
"67375"	233.698257333333	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M-3H"	-3.021828
"503772"	351.051024	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M-3H"	-3.021828
"891303"	116.345490666667	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-3H"	-3.021828
"9878"	351.051024	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M-2H"	-2.014552
"450533"	527.080174	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M-2H"	-2.014552
"827240"	175.021874	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-2H"	-2.014552
"88326"	703.109324	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M-H"	-1.007276
"531166"	1055.167624	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M-H"	-1.007276
"909577"	351.051024	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-H"	-1.007276
"57876"	720.135871	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M-2H+NH4"	16.019271
"501205"	1072.194171	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M-2H+NH4"	16.019271
"878523"	368.077571	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-2H+NH4"	16.019271
"44233"	725.091266	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M-2H+Na"	20.974666
"479417"	1077.149566	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M-2H+Na"	20.974666
"855038"	373.032966	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-2H+Na"	20.974666
"1628946"	373.032966	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Na-2H"	20.974666
"102196"	369.039363	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M-H+Cl"	33.962126
"546131"	545.068513	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M-H+Cl"	33.962126
"939646"	193.010213	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-H+Cl"	33.962126
"268968"	739.086002	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+Cl"	34.969402
"665159"	1091.144302	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+Cl"	34.969402
"1276832"	387.027702	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Cl"	34.969402
"21210"	741.065206	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M-2H+K"	36.948606
"461865"	1093.123506	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M-2H+K"	36.948606
"841864"	389.006906	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-2H+K"	36.948606
"1563162"	389.006906	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+K-2H"	36.948606
"945215"	397.056494	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-H+HCOOH"	44.998194
"367078"	749.114801	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+HCOOH-H"	44.998201
"354240"	763.130451	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+Hac-H"	59.013851
"1500888"	411.072151	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Hac-H"	59.013851
"963688"	419.038451	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-H+NaCOOH"	66.980151
"112959"	387.027702	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+2Cl"	69.938804
"555801"	563.056852	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+2Cl"	69.938804
"1026055"	210.998552	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2Cl"	69.938804
"1250741"	430.977185	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Br"	78.918885
"1314287"	433.033172	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Cl+HCOOH"	80.974872
"1332511"	455.015129	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Cl+NaCOOH"	102.956829
"920652"	465.043886	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M-H+CF3COOH"	112.985586
"1292258"	501.020564	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Cl+CF3COOH"	148.962264
"1368960"	317.045624	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H-2H2O"	-35.012676
"1389009"	335.0556	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H-H2O"	-17.0027
"293806"	705.123876	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+H"	1.007276
"689143"	1057.182176	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+H"	1.007276
"1359296"	353.065576	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H"	1.007276
"136561"	353.065576	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+2H"	2.014552
"576121"	529.094726	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+2H"	2.014552
"1048200"	177.036426	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2H"	2.014552
"214644"	235.712809333333	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+3H"	3.021828
"654567"	353.065576	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+3H"	3.021828
"1166130"	118.360042666667	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+3H"	3.021828
"428307"	722.150423	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+NH4"	18.033823
"791496"	1074.208723	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+NH4"	18.033823
"1682359"	370.092123	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+NH4"	18.033823
"336104"	361.5788495	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+H+NH4"	19.041099
"729622"	537.6079995	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+H+NH4"	19.041099
"1483440"	185.5496995	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H+NH4"	19.041099
"395558"	727.105818	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+Na"	22.989218
"760927"	1079.164118	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+Na"	22.989218
"1610122"	375.047518	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Na"	22.989218
"317974"	364.056547	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+H+Na"	23.996494
"711488"	540.085697	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+H+Na"	23.996494
"1470779"	188.027397	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H+Na"	23.996494
"1061837"	125.687356666667	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2H+Na"	25.00377
"1259141"	385.091786	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+CH3OH+H"	33.033486
"392710"	743.079758	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+K"	38.963158
"748560"	1095.138058	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+K"	38.963158
"1550611"	391.021458	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+K"	38.963158
"304506"	372.043517	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+H+K"	39.970434
"694740"	548.072667	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+H+K"	39.970434
"1448195"	196.014367	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H+K"	39.970434
"240439"	746.150426	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+ACN+H"	42.033826
"1216426"	394.092126	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+ACN+H"	42.033826
"1199216"	197.549701	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+ACN+2H"	43.041102
"193179"	749.08776	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+2Na-H"	44.97116
"634198"	1101.14606	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+2Na-H"	44.97116
"1133695"	397.02946	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2Na-H"	44.97116
"175288"	375.047518	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+2Na"	45.978436
"618008"	551.076668	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+2Na"	45.978436
"1121515"	199.018368	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2Na"	45.978436
"1408321"	133.014670666667	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H+2Na"	46.985712
"1434967"	399.071046	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H+HCOOH"	47.012746
"227945"	380.08054	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+3H2O+2H"	56.04448
"1518197"	413.12309	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+IsoProp+H"	61.06479
"415696"	383.034488	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+Na+K"	61.952376
"774865"	559.063638	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+Na+K"	61.952376
"1669743"	207.005338	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Na+K"	61.952376
"254076"	768.132368	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+ACN+Na"	64.015768
"1230068"	416.074068	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+ACN+Na"	64.015768
"1716768"	416.097593	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+NH4+HCOOH"	64.039293
"1186497"	140.341984666667	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+3Na"	68.967654
"1657485"	421.052988	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Na+HCOOH"	68.994688
"162159"	781.03564	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+2K-H"	76.91904
"598922"	1133.09394	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+2K-H"	76.91904
"1091697"	428.97734	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2K-H"	76.91904
"143410"	391.021458	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"2M+2K"	77.926316
"584794"	567.050608	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"3M+2K"	77.926316
"1075872"	214.992308	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2K"	77.926316
"1102882"	430.991892	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2K+H"	78.933592
"1341094"	431.079507	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+DMSO+H"	79.021207
"1015090"	435.118676	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2ACN+H"	83.060376
"1536496"	436.112308	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+IsoProp+Na+H"	84.054008
"997478"	218.062976	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+2ACN+2H"	84.067652
"1598542"	437.026928	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+K+HCOOH"	84.968628
"1419829"	467.058438	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+H+CF3COOH"	115.000138
"1151211"	238.576251	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+3ACN+2H"	125.094202
"1707324"	484.084985	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+NH4+CF3COOH"	132.026685
"1638601"	489.04038	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+Na+CF3COOH"	136.98208
"1573157"	505.01432	"C15095"	"Coumestrol diacetate;39-Diacetoxy-6H-benzofuro32-c1benzopyran-6-one"	"C19H12O7"	"352.0583"	"M+K+CF3COOH"	152.95602
"801700"	534.2631	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M"	0
"978150"	515.24471	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-H2O-H"	-19.01839
"67485"	355.168124	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M-3H"	-3.021828
"503032"	533.255824	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M-3H"	-3.021828
"881568"	177.080424	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-3H"	-3.021828
"382"	533.255824	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M-2H"	-2.014552
"445173"	800.387374	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M-2H"	-2.014552
"818600"	266.124274	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-2H"	-2.014552
"88436"	1067.518924	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M-H"	-1.007276
"529089"	1601.782024	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M-H"	-1.007276
"907622"	533.255824	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-H"	-1.007276
"50333"	1084.545471	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M-2H+NH4"	16.019271
"499370"	1618.808571	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M-2H+NH4"	16.019271
"875351"	550.282371	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-2H+NH4"	16.019271
"41063"	1089.500866	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M-2H+Na"	20.974666
"477341"	1623.763966	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M-2H+Na"	20.974666
"856241"	555.237766	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-2H+Na"	20.974666
"1629055"	555.237766	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Na-2H"	20.974666
"108867"	551.244163	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M-H+Cl"	33.962126
"542961"	818.375713	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M-H+Cl"	33.962126
"936476"	284.112613	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-H+Cl"	33.962126
"268837"	1103.495602	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+Cl"	34.969402
"660893"	1637.758702	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+Cl"	34.969402
"1275849"	569.232502	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Cl"	34.969402
"19134"	1105.474806	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M-2H+K"	36.948606
"458694"	1639.737906	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M-2H+K"	36.948606
"841975"	571.211706	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-2H+K"	36.948606
"1563272"	571.211706	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+K-2H"	36.948606
"947877"	579.261294	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-H+HCOOH"	44.998194
"370467"	1113.524401	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+HCOOH-H"	44.998201
"355443"	1127.540051	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+Hac-H"	59.013851
"1503184"	593.276951	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Hac-H"	59.013851
"961610"	601.243251	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-H+NaCOOH"	66.980151
"111970"	569.232502	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+2Cl"	69.938804
"555911"	836.364052	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+2Cl"	69.938804
"1026530"	302.100952	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2Cl"	69.938804
"1248664"	613.181985	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Br"	78.918885
"1316582"	615.237972	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Cl+HCOOH"	80.974872
"1332984"	637.219929	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Cl+NaCOOH"	102.956829
"917481"	647.248686	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M-H+CF3COOH"	112.985586
"1291274"	683.225364	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Cl+CF3COOH"	148.962264
"1371257"	499.250424	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H-2H2O"	-35.012676
"1388753"	517.2604	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H-H2O"	-17.0027
"291729"	1069.533476	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+H"	1.007276
"685244"	1603.796576	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+H"	1.007276
"1359405"	535.270376	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H"	1.007276
"135578"	535.270376	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+2H"	2.014552
"571857"	802.401926	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+2H"	2.014552
"1047217"	268.138826	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2H"	2.014552
"215847"	357.182676	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+3H"	3.021828
"653584"	535.270376	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+3H"	3.021828
"1165147"	179.094976	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+3H"	3.021828
"427324"	1086.560023	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+NH4"	18.033823
"790513"	1620.823123	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+NH4"	18.033823
"1683562"	552.296923	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+NH4"	18.033823
"335121"	543.7836495	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+H+NH4"	19.041099
"729003"	810.9151995	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+H+NH4"	19.041099
"1483550"	276.6520995	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H+NH4"	19.041099
"397855"	1091.515418	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+Na"	22.989218
"759944"	1625.778518	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+Na"	22.989218
"1611325"	557.252318	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Na"	22.989218
"319177"	546.261347	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+H+Na"	23.996494
"713784"	813.392897	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+H+Na"	23.996494
"1471982"	279.129797	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H+Na"	23.996494
"1061947"	186.42229	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2H+Na"	25.00377
"1262530"	567.296586	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+CH3OH+H"	33.033486
"391321"	1107.489358	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+K"	38.963158
"748670"	1641.752458	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+K"	38.963158
"1549628"	573.226258	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+K"	38.963158
"301336"	554.248317	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+H+K"	39.970434
"693757"	821.379867	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+H+K"	39.970434
"1449763"	287.116767	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H+K"	39.970434
"242735"	1110.560026	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+ACN+H"	42.033826
"1214350"	576.296926	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+ACN+H"	42.033826
"1198233"	288.652101	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+ACN+2H"	43.041102
"194384"	1113.49736	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+2Na-H"	44.97116
"631757"	1647.76046	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+2Na-H"	44.97116
"1132711"	579.23426	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2Na-H"	44.97116
"173072"	557.252318	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+2Na"	45.978436
"613986"	824.383868	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+2Na"	45.978436
"1116152"	290.120768	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2Na"	45.978436
"1399312"	193.749604	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H+2Na"	46.985712
"1436170"	581.275846	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H+HCOOH"	47.012746
"230241"	562.28534	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+3H2O+2H"	56.04448
"1515026"	595.32789	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+IsoProp+H"	61.06479
"416898"	565.239288	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+Na+K"	61.952376
"775706"	832.370838	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+Na+K"	61.952376
"1668759"	298.107738	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Na+K"	61.952376
"253456"	1132.541968	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+ACN+Na"	64.015768
"1226894"	598.278868	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+ACN+Na"	64.015768
"1716878"	598.302393	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+NH4+HCOOH"	64.039293
"1183327"	201.076918	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+3Na"	68.967654
"1654315"	603.257788	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Na+HCOOH"	68.994688
"160082"	1145.44524	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+2K-H"	76.91904
"598302"	1679.70834	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+2K-H"	76.91904
"1091807"	611.18214	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2K-H"	76.91904
"142791"	573.226258	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"2M+2K"	77.926316
"583811"	840.357808	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"3M+2K"	77.926316
"1072336"	306.094708	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2K"	77.926316
"1103357"	613.196692	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2K+H"	78.933592
"1344484"	613.284307	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+DMSO+H"	79.021207
"1015200"	617.323476	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2ACN+H"	83.060376
"1537699"	618.317108	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+IsoProp+Na+H"	84.054008
"997588"	309.165376	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+2ACN+2H"	84.067652
"1598652"	619.231728	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+K+HCOOH"	84.968628
"1419939"	649.263238	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+H+CF3COOH"	115.000138
"1150228"	329.678651	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+3ACN+2H"	125.094202
"1707434"	666.289785	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+NH4+CF3COOH"	132.026685
"1638711"	671.24518	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+Na+CF3COOH"	136.98208
"1574360"	687.21912	"C15096"	"GV 150013X;N-Phenyl-N-(3R)-2345-tetrahydro-24-dioxo-1-phenyl-5-(tricyclo331137dec-1-ylmethyl)-1H-15-benzodiazepin-3-ylurea"	"C33H34N4O3"	"534.2631"	"M+K+CF3COOH"	152.95602
"801565"	306.2195	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M"	0
"977167"	287.20111	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-H2O-H"	-19.01839
"66502"	203.139057333333	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M-3H"	-3.021828
"505331"	305.212224	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M-3H"	-3.021828
"881677"	101.065890666667	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-3H"	-3.021828
"3166"	305.212224	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M-2H"	-2.014552
"446376"	458.321974	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M-2H"	-2.014552
"821991"	152.102474	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-2H"	-2.014552
"83079"	611.431724	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M-H"	-1.007276
"525920"	917.651224	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M-H"	-1.007276
"905909"	305.212224	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-H"	-1.007276
"54818"	628.458271	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M-2H+NH4"	16.019271
"497658"	934.677771	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M-2H+NH4"	16.019271
"874366"	322.238771	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-2H+NH4"	16.019271
"41173"	633.413666	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M-2H+Na"	20.974666
"475265"	939.633166	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M-2H+Na"	20.974666
"857444"	327.194166	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-2H+Na"	20.974666
"1629165"	327.194166	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Na-2H"	20.974666
"104603"	323.200563	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M-H+Cl"	33.962126
"547447"	476.310313	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M-H+Cl"	33.962126
"939866"	170.090813	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-H+Cl"	33.962126
"268947"	647.408402	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+Cl"	34.969402
"661733"	953.627902	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+Cl"	34.969402
"1277782"	341.188902	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Cl"	34.969402
"19244"	649.387606	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M-2H+K"	36.948606
"459898"	955.607106	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M-2H+K"	36.948606
"838437"	343.168106	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-2H+K"	36.948606
"1563382"	343.168106	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+K-2H"	36.948606
"947255"	351.217694	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-H+HCOOH"	44.998194
"366204"	657.437201	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+HCOOH-H"	44.998201
"352273"	671.452851	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+Hac-H"	59.013851
"1502201"	365.233351	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Hac-H"	59.013851
"962449"	373.199651	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-H+NaCOOH"	66.980151
"110624"	341.188902	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+2Cl"	69.938804
"550226"	494.298652	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+2Cl"	69.938804
"1025182"	188.079152	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2Cl"	69.938804
"1249867"	385.138385	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Br"	78.918885
"1314505"	387.194372	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Cl+HCOOH"	80.974872
"1328720"	409.176329	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Cl+NaCOOH"	102.956829
"914309"	419.205086	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M-H+CF3COOH"	112.985586
"1291383"	455.181764	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Cl+CF3COOH"	148.962264
"1370638"	271.206824	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H-2H2O"	-35.012676
"1387771"	289.2168	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H-H2O"	-17.0027
"289652"	613.446276	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+H"	1.007276
"682073"	919.665776	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+H"	1.007276
"1360608"	307.226776	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H"	1.007276
"138240"	307.226776	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+2H"	2.014552
"575247"	460.336526	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+2H"	2.014552
"1047326"	154.117026	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2H"	2.014552
"217050"	205.153609333333	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+3H"	3.021828
"655880"	307.226776	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+3H"	3.021828
"1164528"	103.080442666667	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+3H"	3.021828
"427433"	630.472823	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+NH4"	18.033823
"790623"	936.692323	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+NH4"	18.033823
"1683672"	324.253323	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+NH4"	18.033823
"335231"	315.7400495	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+H+NH4"	19.041099
"733121"	468.8497995	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+H+NH4"	19.041099
"1483660"	162.6302995	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H+NH4"	19.041099
"397965"	635.428218	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+Na"	22.989218
"761147"	941.647718	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+Na"	22.989218
"1611435"	329.208718	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Na"	22.989218
"323659"	318.217747	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+H+Na"	23.996494
"717173"	471.327497	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+H+Na"	23.996494
"1469905"	165.107997	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H+Na"	23.996494
"1059869"	110.407756666667	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2H+Na"	25.00377
"1263733"	339.252986	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+CH3OH+H"	33.033486
"391796"	651.402158	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+K"	38.963158
"748779"	957.621658	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+K"	38.963158
"1548644"	345.182658	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+K"	38.963158
"302538"	326.204717	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+H+K"	39.970434
"694959"	479.314467	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+H+K"	39.970434
"1449872"	173.094967	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H+K"	39.970434
"239565"	654.472826	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+ACN+H"	42.033826
"1214460"	348.253326	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+ACN+H"	42.033826
"1198343"	174.630301	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+ACN+2H"	43.041102
"191214"	657.41016	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+2Na-H"	44.97116
"632231"	963.62966	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+2Na-H"	44.97116
"1134278"	351.19066	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2Na-H"	44.97116
"173925"	329.208718	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+2Na"	45.978436
"613854"	482.318468	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+2Na"	45.978436
"1115775"	176.098968	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2Na"	45.978436
"1398817"	117.735070666667	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H+2Na"	46.985712
"1436280"	353.232246	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H+HCOOH"	47.012746
"230351"	334.24174	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+3H2O+2H"	56.04448
"1518414"	367.28429	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+IsoProp+H"	61.06479
"417008"	337.195688	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+Na+K"	61.952376
"775816"	490.305438	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+Na+K"	61.952376
"1672148"	184.085938	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Na+K"	61.952376
"255389"	676.454768	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+ACN+Na"	64.015768
"1228099"	370.235268	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+ACN+Na"	64.015768
"1716988"	370.258793	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+NH4+HCOOH"	64.039293
"1184530"	125.062384666667	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+3Na"	68.967654
"1655518"	375.214188	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Na+HCOOH"	68.994688
"158368"	689.35804	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+2K-H"	76.91904
"598658"	995.57754	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+2K-H"	76.91904
"1091917"	383.13854	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2K-H"	76.91904
"142900"	345.182658	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"2M+2K"	77.926316
"582218"	498.292408	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"3M+2K"	77.926316
"1073904"	192.072908	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2K"	77.926316
"1102738"	385.153092	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2K+H"	78.933592
"1342406"	385.240707	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+DMSO+H"	79.021207
"1008019"	389.279876	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2ACN+H"	83.060376
"1534529"	390.273508	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+IsoProp+Na+H"	84.054008
"994417"	195.143576	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+2ACN+2H"	84.067652
"1595482"	391.188128	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+K+HCOOH"	84.968628
"1418955"	421.219638	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+H+CF3COOH"	115.000138
"1152524"	215.656851	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+3ACN+2H"	125.094202
"1707544"	438.246185	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+NH4+CF3COOH"	132.026685
"1639914"	443.20158	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+Na+CF3COOH"	136.98208
"1574470"	459.17552	"C15097"	"Androst-5-ene-3beta17beta19-triol"	"C19H30O3"	"306.2195"	"M+K+CF3COOH"	152.95602
"810304"	348.2101	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M"	0
"977277"	329.19171	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-H2O-H"	-19.01839
"66612"	231.132790666667	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M-3H"	-3.021828
"503572"	347.202824	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M-3H"	-3.021828
"881787"	115.062757333333	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-3H"	-3.021828
"1576"	347.202824	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H"	-2.014552
"447580"	521.307874	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H"	-2.014552
"824288"	173.097774	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-2H"	-2.014552
"88657"	695.412924	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M-H"	-1.007276
"528220"	1043.623024	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M-H"	-1.007276
"904928"	347.202824	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-H"	-1.007276
"56022"	712.439471	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H+NH4"	16.019271
"497769"	1060.649571	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H+NH4"	16.019271
"873383"	364.229371	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-2H+NH4"	16.019271
"38004"	717.394866	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H+Na"	20.974666
"475375"	1065.604966	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H+Na"	20.974666
"856461"	369.184766	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-2H+Na"	20.974666
"1627088"	369.184766	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Na-2H"	20.974666
"103618"	365.191163	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M-H+Cl"	33.962126
"536619"	539.296213	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M-H+Cl"	33.962126
"930134"	191.086113	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-H+Cl"	33.962126
"269059"	731.389602	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+Cl"	34.969402
"663303"	1079.599702	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+Cl"	34.969402
"1277892"	383.179502	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl"	34.969402
"18261"	733.368806	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H+K"	36.948606
"462196"	1081.578906	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H+K"	36.948606
"838547"	385.158706	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-2H+K"	36.948606
"1563492"	385.158706	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+K-2H"	36.948606
"943356"	393.208294	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-H+HCOOH"	44.998194
"364124"	741.418401	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+HCOOH-H"	44.998201
"350194"	755.434051	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+Hac-H"	59.013851
"1500123"	407.223951	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Hac-H"	59.013851
"962559"	415.190251	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-H+NaCOOH"	66.980151
"110612"	383.179502	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+2Cl"	69.938804
"551389"	557.284552	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+2Cl"	69.938804
"1027117"	209.074452	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2Cl"	69.938804
"1241750"	427.128985	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Br"	78.918885
"1314978"	429.184972	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl+HCOOH"	80.974872
"1331018"	451.166929	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl+NaCOOH"	102.956829
"919891"	461.195686	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M-H+CF3COOH"	112.985586
"1292587"	497.172364	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl+CF3COOH"	148.962264
"1374758"	313.197424	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H-2H2O"	-35.012676
"1387880"	331.2074	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H-H2O"	-17.0027
"285383"	697.427476	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+H"	1.007276
"678900"	1045.637576	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+H"	1.007276
"1357438"	349.217376	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H"	1.007276
"133608"	349.217376	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+2H"	2.014552
"572076"	523.322426	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+2H"	2.014552
"1039050"	175.112326	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2H"	2.014552
"209866"	233.147342666667	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+3H"	3.021828
"651614"	349.217376	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+3H"	3.021828
"1163176"	117.077309333333	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+3H"	3.021828
"424750"	714.454023	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+NH4"	18.033823
"785985"	1062.664123	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+NH4"	18.033823
"1685968"	366.243923	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+NH4"	18.033823
"332059"	357.7306495	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+H+NH4"	19.041099
"728854"	531.8356995	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+H+NH4"	19.041099
"1483770"	183.6255995	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H+NH4"	19.041099
"398075"	719.409418	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+Na"	22.989218
"754812"	1067.619518	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+Na"	22.989218
"1603883"	371.199318	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Na"	22.989218
"322676"	360.208347	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+H+Na"	23.996494
"714004"	534.313397	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+H+Na"	23.996494
"1468922"	186.103297	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H+Na"	23.996494
"1058886"	124.404623333333	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2H+Na"	25.00377
"1261656"	381.243586	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+CH3OH+H"	33.033486
"392395"	735.383358	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+K"	38.963158
"748889"	1083.593458	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+K"	38.963158
"1548754"	387.173258	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+K"	38.963158
"301555"	368.195317	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+H+K"	39.970434
"697256"	542.300367	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+H+K"	39.970434
"1447795"	194.090267	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H+K"	39.970434
"238580"	738.454026	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+ACN+H"	42.033826
"1213476"	390.243926	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+ACN+H"	42.033826
"1201731"	195.625601	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+ACN+2H"	43.041102
"193510"	741.39136	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+2Na-H"	44.97116
"636348"	1089.60146	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+2Na-H"	44.97116
"1136575"	393.18126	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2Na-H"	44.97116
"175857"	371.199318	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+2Na"	45.978436
"617243"	545.304368	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+2Na"	45.978436
"1118560"	197.094268	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2Na"	45.978436
"1402449"	131.731937333333	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H+2Na"	46.985712
"1435297"	395.222846	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H+HCOOH"	47.012746
"226087"	376.23234	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+3H2O+2H"	56.04448
"1515245"	409.27489	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+IsoProp+H"	61.06479
"412743"	379.186288	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+Na+K"	61.952376
"772034"	553.291338	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+Na+K"	61.952376
"1671163"	205.081238	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Na+K"	61.952376
"254406"	760.435968	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+ACN+Na"	64.015768
"1228935"	412.225868	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+ACN+Na"	64.015768
"1714182"	412.249393	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+NH4+HCOOH"	64.039293
"1180266"	139.059251333333	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+3Na"	68.967654
"1650116"	417.204788	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Na+HCOOH"	68.994688
"161394"	773.33924	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+2K-H"	76.91904
"597796"	1121.54934	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+2K-H"	76.91904
"1092027"	425.12914	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2K-H"	76.91904
"143010"	387.173258	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"2M+2K"	77.926316
"582570"	561.278308	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"3M+2K"	77.926316
"1072919"	213.068208	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2K"	77.926316
"1102119"	427.143692	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2K+H"	78.933592
"1343609"	427.231307	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+DMSO+H"	79.021207
"1011045"	431.270476	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2ACN+H"	83.060376
"1526983"	432.264108	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+IsoProp+Na+H"	84.054008
"994527"	216.138876	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+2ACN+2H"	84.067652
"1593406"	433.178728	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+K+HCOOH"	84.968628
"1419066"	463.210238	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+H+CF3COOH"	115.000138
"1151540"	236.652151	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+3ACN+2H"	125.094202
"1707654"	480.236785	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+NH4+CF3COOH"	132.026685
"1638931"	485.19218	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+Na+CF3COOH"	136.98208
"1574580"	501.16612	"C15098"	"21-Fluoro-11beta-hydroxypregn-4-ene-320-dione;21-Fluoro-11beta-hydroxyprogesterone"	"C21H29FO3"	"348.2101"	"M+K+CF3COOH"	152.95602
"803853"	318.2559	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M"	0
"980666"	299.23751	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"66720"	211.163324	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"503846"	317.248624	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"882018"	105.078024	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"2658"	317.248624	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"443315"	476.376574	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"822209"	158.120674	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"88766"	635.504524	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"529421"	953.760424	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"906129"	317.248624	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"58319"	652.531071	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"497878"	970.786971	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"872397"	334.275171	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"39207"	657.486466	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"477671"	975.742366	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"856571"	339.230566	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1621730"	339.230566	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"101541"	335.236963	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"540010"	494.364913	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"933524"	176.109013	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"273179"	671.481202	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"663413"	989.737102	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1278002"	353.225302	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"21651"	673.460406	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"462306"	991.716306	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"841208"	355.204506	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1562507"	355.204506	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"948570"	363.254094	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"366424"	681.510001	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"352493"	695.525651	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1499140"	377.269751	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"963763"	385.236051	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"112668"	353.225302	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"551864"	512.353252	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1025767"	194.097352	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1241820"	397.174785	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1317274"	399.230772	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1328943"	421.212729	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"922186"	431.241486	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1298894"	467.218164	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1375965"	283.243224	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1387261"	301.2532	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"285857"	637.519076	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"681560"	955.774976	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1357548"	319.263176	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"133718"	319.263176	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"575465"	478.391126	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1042076"	160.135226	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"211069"	213.177876	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"656097"	319.263176	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1164383"	107.092576	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"428021"	654.545623	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"786337"	972.801523	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1682671"	336.289723	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"332168"	327.7764495	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"726048"	486.9043995	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1481693"	168.6484995	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"395269"	659.501018	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"755287"	977.756918	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1603627"	341.245118	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"323879"	330.254147	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"716300"	489.382097	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1470122"	171.126197	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1060087"	114.41989	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1262858"	351.289386	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"383622"	675.474958	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"750092"	993.730858	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1544490"	357.219058	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"299839"	338.241117	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"692141"	497.369067	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1446686"	179.113167	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"236380"	678.545626	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1212614"	360.289726	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1198564"	180.648501	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"192529"	681.48296	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"634272"	999.73886	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1136685"	363.22706	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"174875"	341.245118	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"615167"	500.373068	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1117698"	182.117168	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1400009"	121.747204	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1438688"	365.268646	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"232030"	346.27814	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1515355"	379.32069	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"412853"	349.232088	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"772755"	508.360038	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1670178"	190.104138	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"255609"	700.527568	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1228320"	382.271668	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1716114"	382.295193	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1180376"	129.074518	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1651728"	387.250588	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"160411"	713.43084	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"601065"	1031.68674	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1095417"	395.17494	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"147861"	357.219058	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"583046"	516.347008	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1074123"	198.091108	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1104051"	397.189492	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1344812"	397.277107	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1011155"	401.316276	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1527093"	402.309908	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"993543"	201.161776	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1598982"	403.224528	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1424642"	433.256038	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1151650"	221.675051	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1707764"	450.282585	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1642321"	455.23798	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1573960"	471.21192	"C15099"	"17beta-Hydroxy-2alpha17-dimethyl-5alpha-androstan-3-one;2alpha17alpha-Dimethyldihydrotestosterone"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"802261"	314.079	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M"	0
"980776"	295.06061	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"67923"	208.378724	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"502901"	313.071724	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"882007"	103.685724	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"1675"	313.071724	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"441602"	470.111224	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"821226"	156.032224	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"88877"	627.150724	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"529530"	941.229724	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"904050"	313.071724	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"57333"	644.177271	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"497988"	958.256271	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"871414"	330.098271	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"39317"	649.132666	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"473408"	963.211666	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"856681"	335.053666	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1624026"	335.053666	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"101651"	331.060063	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"540120"	488.099563	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"933634"	174.020563	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"273289"	663.127402	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"666804"	977.206402	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1279206"	349.048402	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"18481"	665.106606	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"458042"	979.185606	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"841318"	351.027606	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1562617"	351.027606	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"950137"	359.077194	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"369812"	673.156201	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"353696"	687.171851	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1501436"	373.092851	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"963144"	381.059151	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"110262"	349.048402	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"550754"	506.087902	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1026606"	192.008902	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1242173"	392.997885	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1315925"	395.053872	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1331239"	417.035829	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"923390"	427.064586	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1296818"	463.041264	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1377168"	279.066324	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1387376"	297.0763	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"285237"	629.165276	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"681306"	943.244276	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1362032"	315.086276	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H"	1.007276
"133828"	315.086276	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"575575"	472.125776	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1047654"	158.046776	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"211179"	210.393276	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"651833"	315.086276	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1163763"	105.700276	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"424603"	646.191823	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"786085"	960.270823	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1682053"	332.112823	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"331549"	323.5995495	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"723478"	480.6390495	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1477424"	166.5600495	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"396104"	651.147218	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"758191"	965.226218	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1604589"	337.068218	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"315111"	326.077247	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"717503"	483.116747	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1470232"	169.037747	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1059104"	113.02759	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1262969"	347.112486	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"380452"	667.121158	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"748016"	981.200158	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1544601"	353.042158	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K"	38.963158
"303962"	334.064217	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"693103"	491.103717	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1450201"	177.024717	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"238802"	670.191826	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1213697"	356.112826	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1196489"	178.560051	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"197013"	673.12916	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"630740"	987.20816	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1134611"	359.05016	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"174985"	337.068218	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"615398"	494.107718	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1117079"	180.028718	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1404491"	120.354904	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1442809"	361.091746	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"232872"	342.10124	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1518745"	375.14379	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"415151"	345.055188	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"773230"	502.094688	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1670288"	188.015688	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"254624"	692.173768	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1229158"	378.094768	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1716224"	378.118293	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1180486"	127.682218	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1652567"	383.073688	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"159062"	705.07704	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"599352"	1019.15604	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1090060"	390.99804	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"146877"	353.042158	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"583521"	510.081658	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1069978"	196.002658	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1107440"	393.012592	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1338361"	393.100207	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1012358"	397.139376	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1529389"	398.133008	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"1000215"	199.073326	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1597999"	399.047628	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1423659"	429.079138	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1151760"	219.586601	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1707874"	446.105685	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1640244"	451.06108	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1572977"	467.03502	"C15100"	"6-Hydroxy-2-(4-hydroxyphenyl)-57-dimethoxy-4H-1-benzopyran-4-one;46-Dihydroxy-57-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"804073"	288.2453	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M"	0
"984166"	269.22691	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"73501"	191.156257333333	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"504315"	287.238024	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"882117"	95.0744906666666	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"3970"	287.238024	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"444627"	431.360674	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"821336"	143.115374	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"85707"	575.483324	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"523081"	863.728624	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"899787"	287.238024	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"55255"	592.509871	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"495911"	880.755171	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"876628"	304.264571	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"33226"	597.465266	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"473519"	885.710566	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"851322"	309.219966	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1621948"	309.219966	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"103948"	305.226363	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"545696"	449.349013	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"938118"	161.103713	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"273398"	611.460002	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"666914"	899.705302	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1279316"	323.214702	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"18591"	613.439206	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"458152"	901.684506	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"845802"	325.193906	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1564915"	325.193906	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"945505"	333.243494	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"363720"	621.488801	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"354899"	635.504451	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1503005"	347.259151	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"962526"	355.225451	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"110699"	323.214702	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"551355"	467.337352	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1026354"	179.092052	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1241797"	367.164185	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1314942"	369.220172	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1329892"	391.202129	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"923867"	401.230886	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1299115"	437.207564	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1378372"	253.232624	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1389306"	271.2426	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"286807"	577.497876	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"678136"	865.743176	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1362143"	289.252576	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"135032"	289.252576	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"578237"	433.375226	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1048494"	145.129926	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"214570"	193.170809333333	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"654130"	289.252576	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1164240"	97.0890426666667	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"427147"	594.524423	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"785785"	882.769723	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1682287"	306.279123	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"330089"	297.7658495	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"722937"	441.8884995	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1477415"	153.6431995	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"394030"	599.479818	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"754276"	887.725118	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1603607"	311.234518	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"314575"	300.243547	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"716523"	444.366197	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1470343"	156.120897	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1060309"	104.416356666667	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1264174"	321.278786	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"384940"	615.453758	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"748126"	903.699058	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1544710"	327.208458	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"302978"	308.230517	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"695399"	452.353167	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1450311"	164.107867	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"237819"	618.524426	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1211619"	330.279126	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1195868"	165.643201	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"191655"	621.46176	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"632309"	909.70706	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1134721"	333.21646	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"173634"	311.234518	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"613683"	455.357168	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1116337"	167.111868	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1400471"	111.743670666667	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1441097"	335.258046	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"234077"	316.26754	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1518855"	349.31009	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"418543"	319.221488	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"775165"	463.344138	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1668943"	175.098838	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"253641"	640.506368	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1231820"	352.261068	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1714876"	352.284593	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1181324"	119.070984666667	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1657051"	357.239988	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"166099"	653.40964	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"600192"	941.65494	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1090171"	365.16434	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"150268"	327.208458	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"590922"	471.331108	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1070331"	183.085808	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1104270"	367.178892	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1341751"	367.266507	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1010281"	371.305676	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1531687"	372.299308	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"999232"	186.156476	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1595922"	373.213928	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1427049"	403.245438	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1154057"	206.669751	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1707984"	420.271985	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1637071"	425.22738	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1571629"	441.20132	"C15101"	"17-Methyl-5-alpha-androst-2-en-17-beta-ol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"804183"	190.063	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M"	0
"984276"	171.04461	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-H2O-H"	-19.01839
"67051"	125.701390666667	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M-3H"	-3.021828
"503287"	189.055724	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M-3H"	-3.021828
"880318"	62.3470573333333	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-3H"	-3.021828
"2987"	189.055724	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M-2H"	-2.014552
"440322"	284.087224	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M-2H"	-2.014552
"817679"	94.024224	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-2H"	-2.014552
"80348"	379.118724	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M-H"	-1.007276
"518686"	569.181724	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M-H"	-1.007276
"896370"	189.055724	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-H"	-1.007276
"49165"	396.145271	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M-2H+NH4"	16.019271
"492738"	586.208271	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M-2H+NH4"	16.019271
"868353"	206.082271	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-2H+NH4"	16.019271
"32003"	401.100666	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M-2H+Na"	20.974666
"471682"	591.163666	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M-2H+Na"	20.974666
"849039"	211.037666	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-2H+Na"	20.974666
"1620965"	211.037666	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Na-2H"	20.974666
"99684"	207.044063	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M-H+Cl"	33.962126
"540337"	302.075563	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M-H+Cl"	33.962126
"933853"	112.012563	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-H+Cl"	33.962126
"267217"	415.095402	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+Cl"	34.969402
"660174"	605.158402	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+Cl"	34.969402
"1272781"	225.032402	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Cl"	34.969402
"15897"	417.074606	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M-2H+K"	36.948606
"455878"	607.137606	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M-2H+K"	36.948606
"847370"	227.011606	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-2H+K"	36.948606
"1565025"	227.011606	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+K-2H"	36.948606
"944523"	235.061194	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-H+HCOOH"	44.998194
"362049"	425.124201	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+HCOOH-H"	44.998201
"352822"	439.139851	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+Hac-H"	59.013851
"1500564"	249.076851	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Hac-H"	59.013851
"968105"	257.043151	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-H+NaCOOH"	66.980151
"117011"	225.032402	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+2Cl"	69.938804
"553653"	320.063902	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+2Cl"	69.938804
"1026464"	130.000902	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2Cl"	69.938804
"1241502"	268.981885	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Br"	78.918885
"1315052"	271.037872	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Cl+HCOOH"	80.974872
"1332552"	293.019829	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Cl+NaCOOH"	102.956829
"924340"	303.048586	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M-H+CF3COOH"	112.985586
"1301411"	339.025264	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Cl+CF3COOH"	148.962264
"1380669"	155.050324	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H-2H2O"	-35.012676
"1391605"	173.0603	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H-H2O"	-17.0027
"286917"	381.133276	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+H"	1.007276
"683713"	571.196276	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+H"	1.007276
"1362253"	191.070276	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H"	1.007276
"135142"	191.070276	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+2H"	2.014552
"574702"	286.101776	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+2H"	2.014552
"1049699"	96.038776	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2H"	2.014552
"217600"	127.715942666667	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+3H"	3.021828
"655337"	191.070276	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+3H"	3.021828
"1169088"	64.3616093333333	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+3H"	3.021828
"428351"	398.159823	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+NH4"	18.033823
"786066"	588.222823	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+NH4"	18.033823
"1682397"	208.096823	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+NH4"	18.033823
"331041"	199.5835495	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+H+NH4"	19.041099
"722925"	294.6150495	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+H+NH4"	19.041099
"1477644"	104.5520495	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H+NH4"	19.041099
"393409"	403.115218	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+Na"	22.989218
"754889"	593.178218	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+Na"	22.989218
"1605421"	213.052218	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Na"	22.989218
"314725"	202.061247	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+H+Na"	23.996494
"715540"	297.092747	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+H+Na"	23.996494
"1469359"	107.029747	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H+Na"	23.996494
"1057138"	71.6889233333333	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2H+Na"	25.00377
"1261003"	223.096486	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+CH3OH+H"	33.033486
"382863"	419.089158	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+K"	38.963158
"748237"	609.152158	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+K"	38.963158
"1541541"	229.026158	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+K"	38.963158
"303089"	210.048217	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+H+K"	39.970434
"694417"	305.079717	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+H+K"	39.970434
"1448235"	115.016717	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H+K"	39.970434
"240119"	422.159826	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+ACN+H"	42.033826
"1209923"	232.096826	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+ACN+H"	42.033826
"1194335"	116.552051	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+ACN+2H"	43.041102
"188718"	425.09716	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+2Na-H"	44.97116
"629135"	615.16016	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+2Na-H"	44.97116
"1131949"	235.03416	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2Na-H"	44.97116
"173256"	213.052218	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+2Na"	45.978436
"612875"	308.083718	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+2Na"	45.978436
"1116038"	118.020718	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2Na"	45.978436
"1398757"	79.0162373333333	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H+2Na"	46.985712
"1435739"	237.075746	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H+HCOOH"	47.012746
"235284"	218.08524	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+3H2O+2H"	56.04448
"1522247"	251.12779	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+IsoProp+H"	61.06479
"421206"	221.039188	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+Na+K"	61.952376
"774181"	316.070688	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+Na+K"	61.952376
"1669419"	126.007688	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Na+K"	61.952376
"252295"	444.141768	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+ACN+Na"	64.015768
"1231930"	254.078768	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+ACN+Na"	64.015768
"1715715"	254.102293	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+NH4+HCOOH"	64.039293
"1179248"	86.3435513333333	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+3Na"	68.967654
"1653881"	259.057688	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Na+HCOOH"	68.994688
"158918"	457.04504	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+2K-H"	76.91904
"601395"	647.10804	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+2K-H"	76.91904
"1085905"	266.98204	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2K-H"	76.91904
"147098"	229.026158	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"2M+2K"	77.926316
"585565"	324.057658	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"3M+2K"	77.926316
"1070805"	133.994658	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2K"	77.926316
"1100734"	268.996592	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2K+H"	78.933592
"1339674"	269.084207	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+DMSO+H"	79.021207
"1010391"	273.123376	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2ACN+H"	83.060376
"1527423"	274.117008	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+IsoProp+Na+H"	84.054008
"1001529"	137.065326	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+2ACN+2H"	84.067652
"1596032"	275.031628	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+K+HCOOH"	84.968628
"1424973"	305.063138	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+H+CF3COOH"	115.000138
"1154167"	157.578601	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+3ACN+2H"	125.094202
"1705906"	322.089685	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+NH4+CF3COOH"	132.026685
"1636089"	327.04508	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+Na+CF3COOH"	136.98208
"1571364"	343.01902	"C15102"	"1234-Tetrahydro-4-oxo-1-naphthoic acid"	"C11H10O3"	"190.063"	"M+K+CF3COOH"	152.95602
"810854"	302.1882	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M"	0
"982200"	283.16981	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"77002"	200.451524	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"504536"	301.180924	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"883429"	99.722124	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"4190"	301.180924	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"450311"	452.275024	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"819369"	150.086824	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"80458"	603.369124	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"519652"	905.557324	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"898540"	301.180924	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"51099"	620.395671	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"489929"	922.583871	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"868462"	318.207471	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"33446"	625.351066	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"474832"	927.539266	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"849351"	323.162866	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1618962"	323.162866	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"106355"	319.169263	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"540447"	470.263363	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"933963"	168.075163	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"269608"	639.345802	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"660812"	941.534002	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1273825"	337.157602	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"15819"	641.325006	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"457152"	943.513206	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"846022"	339.136806	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1565135"	339.136806	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"946092"	347.186394	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"365036"	649.374601	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"350746"	663.390251	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1503227"	361.202051	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"970039"	369.168351	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"116029"	337.157602	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"553033"	488.251702	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1025114"	186.063502	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1244327"	381.107085	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1311883"	383.163072	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1329382"	405.145029	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"923721"	415.173786	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1301521"	451.150464	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1379682"	267.175524	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1397183"	285.1855	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"295412"	605.383676	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"688198"	907.571876	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1362364"	303.195476	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"135252"	303.195476	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"575907"	454.289576	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1049809"	152.101376	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"215886"	202.466076	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"656544"	303.195476	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1168105"	101.736676	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"430284"	622.410223	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"787269"	924.598423	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1681772"	320.222023	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"331516"	311.7087495	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"724055"	462.8028495	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1478486"	160.6146495	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"393641"	627.365618	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"757069"	929.553818	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1608085"	325.177418	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"317755"	314.186447	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"715649"	465.280547	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1468376"	163.092347	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1058705"	109.06399	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1261113"	335.221686	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"381880"	643.339558	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"748347"	945.527758	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1543837"	341.151358	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"303199"	322.173417	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"696712"	473.267517	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1446520"	171.079317	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"240228"	646.410226	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1209941"	344.222026	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1194544"	172.614651	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"189685"	649.34756	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"629610"	951.53576	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1133844"	347.15936	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"173071"	325.177418	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"615607"	476.271518	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1117412"	174.083318	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1402638"	116.391304	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1435851"	349.200946	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"234672"	330.21044	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1523335"	363.25299	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"420588"	333.164388	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"777573"	484.258488	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1669529"	182.070288	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"254227"	668.392168	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1232040"	366.203968	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1716553"	366.227493	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1184095"	123.718618	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1656178"	371.182888	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"160852"	681.29544	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"599681"	983.48364	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1088204"	379.10724	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"145021"	341.151358	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"583852"	492.245458	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1070188"	190.057258	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1102303"	381.121792	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1337591"	381.209407	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1011593"	385.248576	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1524978"	386.242208	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"999452"	193.127926	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1597235"	387.156828	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1429092"	417.188338	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1155371"	213.641201	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1704922"	434.214885	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1640573"	439.17028	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1574037"	455.14422	"C15103"	"11alpha17beta-Dihydroxy-14-androstadien-3-one"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"804403"	457.1557	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M"	0
"987776"	438.13731	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-H2O-H"	-19.01839
"76021"	303.763190666667	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M-3H"	-3.021828
"506832"	456.148424	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M-3H"	-3.021828
"889006"	151.377957333333	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-3H"	-3.021828
"5397"	456.148424	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M-2H"	-2.014552
"448235"	684.726274	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M-2H"	-2.014552
"827131"	227.570574	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-2H"	-2.014552
"83843"	913.304124	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M-H"	-1.007276
"521221"	1370.459824	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M-H"	-1.007276
"896955"	456.148424	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-H"	-1.007276
"54490"	930.330671	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M-2H+NH4"	16.019271
"494052"	1387.486371	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M-2H+NH4"	16.019271
"869666"	473.174971	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-2H+NH4"	16.019271
"32586"	935.286066	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M-2H+Na"	20.974666
"472994"	1392.441766	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M-2H+Na"	20.974666
"851650"	478.130366	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-2H+Na"	20.974666
"1621183"	478.130366	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Na-2H"	20.974666
"104280"	474.136763	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M-H+Cl"	33.962126
"540558"	702.714613	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M-H+Cl"	33.962126
"937354"	245.558913	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-H+Cl"	33.962126
"270082"	949.280802	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+Cl"	34.969402
"660556"	1406.436502	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+Cl"	34.969402
"1276730"	492.125102	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Cl"	34.969402
"18921"	951.260006	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M-2H+K"	36.948606
"461763"	1408.415706	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M-2H+K"	36.948606
"840666"	494.104306	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-2H+K"	36.948606
"1564152"	494.104306	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+K-2H"	36.948606
"946931"	502.153894	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-H+HCOOH"	44.998194
"363687"	959.309601	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+HCOOH-H"	44.998201
"347330"	973.325251	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+Hac-H"	59.013851
"1493972"	516.169551	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Hac-H"	59.013851
"958581"	524.135851	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-H+NaCOOH"	66.980151
"110418"	492.125102	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+2Cl"	69.938804
"550338"	720.702952	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+2Cl"	69.938804
"1022293"	263.547252	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2Cl"	69.938804
"1242001"	536.074585	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Br"	78.918885
"1304847"	538.130572	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Cl+HCOOH"	80.974872
"1323655"	560.112529	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Cl+NaCOOH"	102.956829
"916173"	570.141286	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M-H+CF3COOH"	112.985586
"1298350"	606.117964	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Cl+CF3COOH"	148.962264
"1374325"	422.143024	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H-2H2O"	-35.012676
"1397657"	440.153	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H-H2O"	-17.0027
"295886"	915.318676	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+H"	1.007276
"687944"	1372.474376	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+H"	1.007276
"1360286"	458.162976	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H"	1.007276
"137548"	458.162976	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+2H"	2.014552
"576016"	686.740826	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+2H"	2.014552
"1043722"	229.585126	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2H"	2.014552
"217091"	305.777742666667	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+3H"	3.021828
"655560"	458.162976	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+3H"	3.021828
"1166393"	153.392509333333	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+3H"	3.021828
"427114"	932.345223	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+NH4"	18.033823
"795764"	1389.500923	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+NH4"	18.033823
"1682617"	475.189523	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+NH4"	18.033823
"334541"	466.6762495	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+H+NH4"	19.041099
"725140"	695.2540995	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+H+NH4"	19.041099
"1479689"	238.0983995	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H+NH4"	19.041099
"393995"	937.300618	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+Na"	22.989218
"757908"	1394.456318	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+Na"	22.989218
"1606738"	480.144918	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Na"	22.989218
"317137"	469.153947	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+H+Na"	23.996494
"713575"	697.731797	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+H+Na"	23.996494
"1464480"	240.576097	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H+Na"	23.996494
"1056268"	160.719823333333	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2H+Na"	25.00377
"1261223"	490.189186	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+CH3OH+H"	33.033486
"383083"	953.274558	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+K"	38.963158
"748458"	1410.430258	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+K"	38.963158
"1545042"	496.118858	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+K"	38.963158
"304405"	477.140917	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+H+K"	39.970434
"695730"	705.718767	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+H+K"	39.970434
"1447361"	248.563067	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H+K"	39.970434
"237421"	956.345226	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+ACN+H"	42.033826
"1211578"	499.189526	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+ACN+H"	42.033826
"1194854"	250.098401	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+ACN+2H"	43.041102
"190886"	959.28256	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+2Na-H"	44.97116
"629838"	1416.43826	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+2Na-H"	44.97116
"1132129"	502.12686	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2Na-H"	44.97116
"173357"	480.144918	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+2Na"	45.978436
"614014"	708.722768	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+2Na"	45.978436
"1117158"	251.567068	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2Na"	45.978436
"1402748"	168.047137333333	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H+2Na"	46.985712
"1434868"	504.168446	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H+HCOOH"	47.012746
"234775"	485.17794	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+3H2O+2H"	56.04448
"1520283"	518.22049	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+IsoProp+H"	61.06479
"419240"	488.131888	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+Na+K"	61.952376
"774403"	716.709738	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+Na+K"	61.952376
"1675106"	259.554038	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Na+K"	61.952376
"263084"	978.327168	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+ACN+Na"	64.015768
"1235428"	521.171468	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+ACN+Na"	64.015768
"1725044"	521.194993	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+NH4+HCOOH"	64.039293
"1190762"	175.374451333333	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+3Na"	68.967654
"1660652"	526.150388	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Na+HCOOH"	68.994688
"170675"	991.23044	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+2K-H"	76.91904
"600521"	1448.38614	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+2K-H"	76.91904
"1090501"	534.07474	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2K-H"	76.91904
"147318"	496.118858	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"2M+2K"	77.926316
"583962"	724.696708	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"3M+2K"	77.926316
"1074671"	267.541008	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2K"	77.926316
"1100586"	536.089292	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2K+H"	78.933592
"1340986"	536.176907	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+DMSO+H"	79.021207
"1010609"	540.216076	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2ACN+H"	83.060376
"1525697"	541.209708	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+IsoProp+Na+H"	84.054008
"999562"	270.611676	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+2ACN+2H"	84.067652
"1594065"	542.124328	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+K+HCOOH"	84.968628
"1421911"	572.155838	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+H+CF3COOH"	115.000138
"1155481"	291.124951	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+3ACN+2H"	125.094202
"1705032"	589.182385	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+NH4+CF3COOH"	132.026685
"1640683"	594.13778	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+Na+CF3COOH"	136.98208
"1574147"	610.11172	"C15104"	"LY-202769;2-2-(5-Chloro-1H-indol-3-yl)ethyl-3-3-(1-methylethoxy)phenyl-4(3H)-quinazolinone"	"C27H24ClN3O2"	"457.1557"	"M+K+CF3COOH"	152.95602
"802326"	334.158	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M"	0
"979140"	315.13961	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-H2O-H"	-19.01839
"77222"	221.764724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M-3H"	-3.021828
"508035"	333.150724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M-3H"	-3.021828
"882556"	110.378724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-3H"	-3.021828
"6600"	333.150724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M-2H"	-2.014552
"449441"	500.229724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M-2H"	-2.014552
"828338"	166.071724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-2H"	-2.014552
"90514"	667.308724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M-H"	-1.007276
"524609"	1001.466724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M-H"	-1.007276
"902410"	333.150724	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-H"	-1.007276
"55693"	684.335271	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M-2H+NH4"	16.019271
"495254"	1018.493271	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M-2H+NH4"	16.019271
"873056"	350.177271	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-2H+NH4"	16.019271
"32697"	689.290666	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M-2H+Na"	20.974666
"473591"	1023.448666	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M-2H+Na"	20.974666
"851760"	355.132666	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-2H+Na"	20.974666
"1623484"	355.132666	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Na-2H"	20.974666
"104390"	351.139063	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M-H+Cl"	33.962126
"535686"	518.218063	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M-H+Cl"	33.962126
"937464"	184.060063	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-H+Cl"	33.962126
"269828"	703.285402	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+Cl"	34.969402
"665166"	1037.443402	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+Cl"	34.969402
"1275017"	369.127402	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Cl"	34.969402
"17938"	705.264606	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M-2H+K"	36.948606
"460050"	1039.422606	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M-2H+K"	36.948606
"841869"	371.106606	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-2H+K"	36.948606
"1562076"	371.106606	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+K-2H"	36.948606
"946310"	379.156194	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-H+HCOOH"	44.998194
"363427"	713.314201	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+HCOOH-H"	44.998201
"348412"	727.329851	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+Hac-H"	59.013851
"1493714"	393.171851	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Hac-H"	59.013851
"959070"	401.138151	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-H+NaCOOH"	66.980151
"111375"	369.127402	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+2Cl"	69.938804
"551056"	536.206402	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+2Cl"	69.938804
"1021923"	202.048402	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2Cl"	69.938804
"1243450"	413.076885	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Br"	78.918885
"1305166"	415.132872	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Cl+HCOOH"	80.974872
"1324494"	437.114829	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Cl+NaCOOH"	102.956829
"915918"	447.143586	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M-H+CF3COOH"	112.985586
"1298460"	483.120264	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Cl+CF3COOH"	148.962264
"1377715"	299.145324	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H-2H2O"	-35.012676
"1397406"	317.1553	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H-H2O"	-17.0027
"295996"	669.323276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+H"	1.007276
"688054"	1003.481276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+H"	1.007276
"1359303"	335.165276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H"	1.007276
"133285"	335.165276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+2H"	2.014552
"572847"	502.244276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+2H"	2.014552
"1047113"	168.086276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2H"	2.014552
"216108"	223.779276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+3H"	3.021828
"655669"	335.165276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+3H"	3.021828
"1167233"	112.393276	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+3H"	3.021828
"428318"	686.349823	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+NH4"	18.033823
"793688"	1020.507823	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+NH4"	18.033823
"1683822"	352.191823	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+NH4"	18.033823
"332831"	343.6785495	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+H+NH4"	19.041099
"725252"	510.7575495	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+H+NH4"	19.041099
"1478706"	176.5995495	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H+NH4"	19.041099
"394834"	691.305218	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+Na"	22.989218
"755587"	1025.463218	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+Na"	22.989218
"1606848"	357.147218	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Na"	22.989218
"316883"	346.156247	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+H+Na"	23.996494
"712592"	513.235247	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+H+Na"	23.996494
"1464954"	179.077247	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H+Na"	23.996494
"1056378"	119.72059	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2H+Na"	25.00377
"1262426"	367.191486	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+CH3OH+H"	33.033486
"383193"	707.279158	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+K"	38.963158
"749662"	1041.437158	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+K"	38.963158
"1545152"	373.121158	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+K"	38.963158
"304514"	354.143217	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+H+K"	39.970434
"694747"	521.222217	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+H+K"	39.970434
"1450751"	187.064217	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H+K"	39.970434
"237165"	710.349826	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+ACN+H"	42.033826
"1211569"	376.191826	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+ACN+H"	42.033826
"1197035"	188.599551	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+ACN+2H"	43.041102
"190389"	713.28716	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+2Na-H"	44.97116
"630922"	1047.44516	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+2Na-H"	44.97116
"1132725"	379.12916	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2Na-H"	44.97116
"176264"	357.147218	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+2Na"	45.978436
"616919"	524.226218	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+2Na"	45.978436
"1119333"	190.068218	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2Na"	45.978436
"1402858"	127.047904	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H+2Na"	46.985712
"1434978"	381.170746	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H+HCOOH"	47.012746
"234153"	362.18024	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+3H2O+2H"	56.04448
"1522580"	395.22279	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+IsoProp+H"	61.06479
"416798"	365.134188	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+Na+K"	61.952376
"774513"	532.213188	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+Na+K"	61.952376
"1674123"	198.055188	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Na+K"	61.952376
"263558"	732.331768	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+ACN+Na"	64.015768
"1235538"	398.173768	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+ACN+Na"	64.015768
"1722237"	398.197293	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+NH4+HCOOH"	64.039293
"1188684"	134.375218	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+3Na"	68.967654
"1654202"	403.152688	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Na+HCOOH"	68.994688
"172122"	745.23504	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+2K-H"	76.91904
"605001"	1079.39304	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+2K-H"	76.91904
"1088418"	411.07704	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2K-H"	76.91904
"143418"	373.121158	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"2M+2K"	77.926316
"583342"	540.200158	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"3M+2K"	77.926316
"1070404"	206.042158	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2K"	77.926316
"1102520"	413.091592	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2K+H"	78.933592
"1337813"	413.179207	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+DMSO+H"	79.021207
"1008163"	417.218376	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2ACN+H"	83.060376
"1525562"	418.212008	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+IsoProp+Na+H"	84.054008
"997486"	209.112826	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+2ACN+2H"	84.067652
"1594175"	419.126628	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+K+HCOOH"	84.968628
"1422021"	449.158138	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+H+CF3COOH"	115.000138
"1151216"	229.626101	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+3ACN+2H"	125.094202
"1698580"	466.184685	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+NH4+CF3COOH"	132.026685
"1636419"	471.14008	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+Na+CF3COOH"	136.98208
"1572068"	487.11402	"C15105"	"9-Fluoro-16alpha-hydroxyandrost-4-ene-31117-trione"	"C19H23FO4"	"334.158"	"M+K+CF3COOH"	152.95602
"811184"	358.262	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M"	0
"987997"	339.24361	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-H2O-H"	-19.01839
"76240"	237.834057333333	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M-3H"	-3.021828
"509240"	357.254724	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M-3H"	-3.021828
"888136"	118.413390666667	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-3H"	-3.021828
"15419"	357.254724	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M-2H"	-2.014552
"454657"	536.385724	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M-2H"	-2.014552
"832379"	178.123724	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-2H"	-2.014552
"92819"	715.516724	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M-H"	-1.007276
"532373"	1073.778724	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M-H"	-1.007276
"907989"	357.254724	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-H"	-1.007276
"56894"	732.543271	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M-2H+NH4"	16.019271
"497550"	1090.805271	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M-2H+NH4"	16.019271
"872071"	374.281271	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-2H+NH4"	16.019271
"41069"	737.498666	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M-2H+Na"	20.974666
"473702"	1095.760666	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M-2H+Na"	20.974666
"854058"	379.236666	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-2H+Na"	20.974666
"1630155"	379.236666	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Na-2H"	20.974666
"106687"	375.243063	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M-H+Cl"	33.962126
"542967"	554.374063	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M-H+Cl"	33.962126
"939401"	196.112063	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-H+Cl"	33.962126
"272125"	751.493402	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+Cl"	34.969402
"668556"	1109.755402	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+Cl"	34.969402
"1278773"	393.231402	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Cl"	34.969402
"23518"	753.472606	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M-2H+K"	36.948606
"466358"	1111.734606	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M-2H+K"	36.948606
"833952"	395.210606	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-2H+K"	36.948606
"1560000"	395.210606	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+K-2H"	36.948606
"946788"	403.260194	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-H+HCOOH"	44.998194
"363542"	761.522201	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+HCOOH-H"	44.998201
"348889"	775.537851	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+Hac-H"	59.013851
"1495530"	417.275851	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Hac-H"	59.013851
"959180"	425.242151	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-H+NaCOOH"	66.980151
"112707"	393.231402	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+2Cl"	69.938804
"552024"	572.362402	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+2Cl"	69.938804
"1023979"	214.100402	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2Cl"	69.938804
"1242467"	437.180885	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Br"	78.918885
"1305644"	439.236872	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Cl+HCOOH"	80.974872
"1322416"	461.218829	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Cl+NaCOOH"	102.956829
"914569"	471.247586	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M-H+CF3COOH"	112.985586
"1295290"	507.224264	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Cl+CF3COOH"	148.962264
"1374545"	323.249324	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H-2H2O"	-35.012676
"1395328"	341.2593	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H-H2O"	-17.0027
"292830"	717.531276	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+H"	1.007276
"686344"	1075.793276	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+H"	1.007276
"1357226"	359.269276	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H"	1.007276
"133395"	359.269276	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+2H"	2.014552
"571863"	538.400276	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+2H"	2.014552
"1041028"	180.138276	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2H"	2.014552
"216948"	239.848609333333	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+3H"	3.021828
"657968"	359.269276	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+3H"	3.021828
"1168437"	120.427942666667	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+3H"	3.021828
"428794"	734.557823	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+NH4"	18.033823
"793798"	1092.819823	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+NH4"	18.033823
"1686483"	376.295823	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+NH4"	18.033823
"332940"	367.7825495	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+H+NH4"	19.041099
"723295"	546.9135495	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+H+NH4"	19.041099
"1481730"	188.6515495	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H+NH4"	19.041099
"398224"	739.513218	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+Na"	22.989218
"758489"	1097.775218	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+Na"	22.989218
"1606226"	381.251218	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Na"	22.989218
"318449"	370.260247	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+H+Na"	23.996494
"711609"	549.391247	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+H+Na"	23.996494
"1463243"	191.129247	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H+Na"	23.996494
"1055759"	127.755256666667	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2H+Na"	25.00377
"1257800"	391.295486	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+CH3OH+H"	33.033486
"387678"	755.487158	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+K"	38.963158
"746493"	1113.749158	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+K"	38.963158
"1545262"	397.225158	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+K"	38.963158
"303532"	378.247217	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+H+K"	39.970434
"700326"	557.378217	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+H+K"	39.970434
"1448678"	199.116217	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H+K"	39.970434
"236298"	758.557826	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+ACN+H"	42.033826
"1210304"	400.295826	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+ACN+H"	42.033826
"1195445"	200.651551	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+ACN+2H"	43.041102
"191110"	761.49516	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+2Na-H"	44.97116
"633951"	1119.75716	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+2Na-H"	44.97116
"1132231"	403.23316	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2Na-H"	44.97116
"179657"	381.251218	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+2Na"	45.978436
"617028"	560.382218	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+2Na"	45.978436
"1122722"	202.120218	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2Na"	45.978436
"1402238"	135.082570666667	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H+2Na"	46.985712
"1435088"	405.274746	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H+HCOOH"	47.012746
"234875"	386.28424	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+3H2O+2H"	56.04448
"1521964"	419.32679	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+IsoProp+H"	61.06479
"418004"	389.238188	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+Na+K"	61.952376
"778998"	568.369188	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+Na+K"	61.952376
"1679338"	210.107188	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Na+K"	61.952376
"264762"	780.539768	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+ACN+Na"	64.015768
"1239295"	422.277768	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+ACN+Na"	64.015768
"1724535"	422.301293	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+NH4+HCOOH"	64.039293
"1191347"	142.409884666667	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+3Na"	68.967654
"1665048"	427.256688	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Na+HCOOH"	68.994688
"171989"	793.44304	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+2K-H"	76.91904
"607299"	1151.70504	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+2K-H"	76.91904
"1092904"	435.18104	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2K-H"	76.91904
"145352"	397.225158	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"2M+2K"	77.926316
"584911"	576.356158	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"3M+2K"	77.926316
"1070392"	218.094158	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2K"	77.926316
"1103360"	437.195592	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2K+H"	78.933592
"1344485"	437.283207	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+DMSO+H"	79.021207
"1009734"	441.322376	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2ACN+H"	83.060376
"1528952"	442.316008	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+IsoProp+Na+H"	84.054008
"995410"	221.164826	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+2ACN+2H"	84.067652
"1589911"	443.230628	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+K+HCOOH"	84.968628
"1416664"	473.262138	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+H+CF3COOH"	115.000138
"1151326"	241.678101	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+3ACN+2H"	125.094202
"1697144"	490.288685	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+NH4+CF3COOH"	132.026685
"1635435"	495.24408	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+Na+CF3COOH"	136.98208
"1571569"	511.21802	"C15106"	"3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime"	"C22H34N2O2"	"358.262"	"M+K+CF3COOH"	152.95602
"804733"	268.1827	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M"	0
"984827"	249.16431	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-H2O-H"	-19.01839
"77689"	177.781190666667	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M-3H"	-3.021828
"511538"	267.175424	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M-3H"	-3.021828
"888246"	88.3869573333333	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-3H"	-3.021828
"12289"	267.175424	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M-2H"	-2.014552
"455579"	401.266774	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M-2H"	-2.014552
"832085"	133.084074	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-2H"	-2.014552
"92565"	535.358124	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M-H"	-1.007276
"532362"	803.540824	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M-H"	-1.007276
"909924"	267.175424	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-H"	-1.007276
"61138"	552.384671	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M-2H+NH4"	16.019271
"494380"	820.567371	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M-2H+NH4"	16.019271
"868902"	284.201971	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-2H+NH4"	16.019271
"43366"	557.340066	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M-2H+Na"	20.974666
"473448"	825.522766	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M-2H+Na"	20.974666
"854168"	289.157366	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-2H+Na"	20.974666
"1626985"	289.157366	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Na-2H"	20.974666
"105340"	285.163763	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M-H+Cl"	33.962126
"543077"	419.255113	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M-H+Cl"	33.962126
"939509"	151.072413	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-H+Cl"	33.962126
"274058"	571.334802	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+Cl"	34.969402
"667573"	839.517502	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+Cl"	34.969402
"1276331"	303.152102	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Cl"	34.969402
"23628"	573.314006	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M-2H+K"	36.948606
"464281"	841.496706	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M-2H+K"	36.948606
"833374"	305.131306	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-2H+K"	36.948606
"1563390"	305.131306	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+K-2H"	36.948606
"952365"	313.180894	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-H+HCOOH"	44.998194
"367299"	581.363601	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+HCOOH-H"	44.998201
"352279"	595.379251	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+Hac-H"	59.013851
"1495643"	327.196551	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Hac-H"	59.013851
"961362"	335.162851	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-H+NaCOOH"	66.980151
"112820"	303.152102	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+2Cl"	69.938804
"554932"	437.243452	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+2Cl"	69.938804
"1024454"	169.060752	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2Cl"	69.938804
"1244401"	347.101585	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Br"	78.918885
"1305753"	349.157572	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Cl+HCOOH"	80.974872
"1322162"	371.139529	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Cl+NaCOOH"	102.956829
"915409"	381.168286	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M-H+CF3COOH"	112.985586
"1295400"	417.144964	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Cl+CF3COOH"	148.962264
"1373562"	233.170024	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H-2H2O"	-35.012676
"1397749"	251.18	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H-H2O"	-17.0027
"296219"	537.372676	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+H"	1.007276
"690342"	805.555376	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+H"	1.007276
"1366084"	269.189976	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H"	1.007276
"139702"	269.189976	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+2H"	2.014552
"579264"	403.281326	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+2H"	2.014552
"1050615"	135.098626	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2H"	2.014552
"219816"	179.795742666667	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+3H"	3.021828
"659662"	269.189976	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+3H"	3.021828
"1172922"	90.4015093333334	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+3H"	3.021828
"432913"	554.399223	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+NH4"	18.033823
"796096"	822.581923	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+NH4"	18.033823
"1693157"	286.216523	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+NH4"	18.033823
"333415"	277.7032495	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+H+NH4"	19.041099
"728385"	411.7945995	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+H+NH4"	19.041099
"1481841"	143.6118995	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H+NH4"	19.041099
"401251"	559.354618	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+Na"	22.989218
"763341"	827.537318	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+Na"	22.989218
"1612535"	291.171918	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Na"	22.989218
"321478"	280.180947	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+H+Na"	23.996494
"711719"	414.272297	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+H+Na"	23.996494
"1464446"	146.089597	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H+Na"	23.996494
"1064253"	97.7288233333333	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2H+Na"	25.00377
"1264838"	301.216186	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+CH3OH+H"	33.033486
"389976"	575.328558	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+K"	38.963158
"752435"	843.511258	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+K"	38.963158
"1552663"	307.145858	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+K"	38.963158
"310203"	288.167917	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+H+K"	39.970434
"701530"	422.259267	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+H+K"	39.970434
"1454256"	154.076567	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H+K"	39.970434
"242857"	578.399226	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+ACN+H"	42.033826
"1214471"	310.216526	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+ACN+H"	42.033826
"1200538"	155.611901	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+ACN+2H"	43.041102
"196688"	581.33656	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+2Na-H"	44.97116
"636249"	849.51926	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+2Na-H"	44.97116
"1139753"	313.15386	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2Na-H"	44.97116
"183047"	291.171918	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+2Na"	45.978436
"620418"	425.263268	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+2Na"	45.978436
"1124289"	157.080568	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2Na"	45.978436
"1409636"	105.056137333333	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H+2Na"	46.985712
"1435198"	315.195446	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H+HCOOH"	47.012746
"235640"	296.20494	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+3H2O+2H"	56.04448
"1522438"	329.24749	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+IsoProp+H"	61.06479
"423217"	299.158888	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+Na+K"	61.952376
"778015"	433.250238	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+Na+K"	61.952376
"1680544"	165.067538	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Na+K"	61.952376
"264508"	600.381168	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+ACN+Na"	64.015768
"1238676"	332.198468	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+ACN+Na"	64.015768
"1726104"	332.221993	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+NH4+HCOOH"	64.039293
"1193646"	112.383451333333	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+3Na"	68.967654
"1664145"	337.177388	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Na+HCOOH"	68.994688
"172346"	613.28444	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+2K-H"	76.91904
"609595"	881.46714	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+2K-H"	76.91904
"1093013"	345.10174	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2K-H"	76.91904
"148742"	307.145858	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"2M+2K"	77.926316
"593769"	441.237208	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"3M+2K"	77.926316
"1073178"	173.054508	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2K"	77.926316
"1109303"	347.116292	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2K+H"	78.933592
"1345689"	347.203907	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+DMSO+H"	79.021207
"1010938"	351.243076	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2ACN+H"	83.060376
"1527969"	352.236708	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+IsoProp+Na+H"	84.054008
"992236"	176.125176	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+2ACN+2H"	84.067652
"1590021"	353.151328	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+K+HCOOH"	84.968628
"1416774"	383.182838	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+H+CF3COOH"	115.000138
"1151436"	196.638451	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+3ACN+2H"	125.094202
"1697216"	400.209385	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+NH4+CF3COOH"	132.026685
"1635545"	405.16478	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+Na+CF3COOH"	136.98208
"1571598"	421.13872	"C15107"	"3-Methoxyestra-135(10)16-tetraene"	"C19H24O"	"268.1827"	"M+K+CF3COOH"	152.95602
"814686"	316.2402	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M"	0
"978379"	297.22181	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"69899"	209.819524	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"508369"	315.232924	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"882890"	104.406124	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"12398"	315.232924	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"451960"	473.353024	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"827574"	157.112824	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"90484"	631.473124	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"529313"	947.713324	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"907114"	315.232924	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"58577"	648.499671	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"495583"	964.739871	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"866826"	332.259471	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"34729"	653.455066	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"472101"	969.695266	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"853183"	337.214866	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1627094"	337.214866	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"101439"	333.221263	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"544645"	491.341363	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"936703"	175.101163	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"270886"	667.449802	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"661118"	983.690002	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1276805"	351.209602	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"23739"	669.429006	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"462203"	985.669206	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"836724"	353.188806	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1565687"	353.188806	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"953568"	361.238394	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"364126"	677.478601	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"349109"	691.494251	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1497940"	375.254051	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"961472"	383.220351	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"115482"	351.209602	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"553583"	509.329702	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1024929"	193.089502	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1242687"	395.159085	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1307321"	397.215072	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1323000"	419.197029	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"914424"	429.225786	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1294417"	465.202464	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1372578"	281.227524	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1395916"	299.2375	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"293049"	633.487676	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"687657"	949.727876	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1362914"	317.247476	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"133617"	317.247476	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"572086"	475.367576	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1043072"	159.127376	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"218265"	211.834076	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"658553"	317.247476	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1171938"	106.420676	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"433023"	650.514223	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"796208"	966.754423	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1692174"	334.274023	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"332429"	325.7607495	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"726674"	483.8808495	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1480857"	167.6406495	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"399175"	655.469618	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"761264"	971.709818	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1608272"	339.229418	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"317215"	328.238447	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"710735"	486.358547	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1463463"	170.118347	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1064363"	113.74799	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1266041"	349.273686	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"389722"	671.443558	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"747804"	987.683758	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1547668"	355.203358	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"304844"	336.225417	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"695442"	494.345517	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1451084"	178.105317	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"241874"	674.514226	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1213488"	358.274026	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1198097"	179.640651	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"194613"	677.45156	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"636358"	993.69176	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1139864"	361.21136	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"180972"	339.229418	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"617613"	497.349518	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1122942"	181.109318	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1404281"	121.075304	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1437495"	363.252946	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"235558"	344.26244	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1523926"	377.30499	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"420777"	347.216388	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"782500"	505.336488	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1678831"	189.096288	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"264619"	696.496168	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1239515"	380.255968	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1725849"	380.279493	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1192298"	128.402618	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1662191"	385.234888	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"170146"	709.39944	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"606424"	1025.63964	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1096406"	393.15924	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"149943"	355.203358	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"590598"	513.323458	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1075111"	197.083258	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1107226"	395.173792	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1342518"	395.261407	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1007766"	399.300576	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1528079"	400.294208	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"993440"	200.153926	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1588065"	401.208828	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1416884"	431.240338	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1148266"	220.667201	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1705471"	448.266885	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1634925"	453.22228	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1571790"	469.19622	"C15108"	"17beta-Hydroxy-6alpha17-dimethylandrost-4-en-3-one;6alpha17alpha-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"815891"	358.1053	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M"	0
"989062"	339.08691	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-H2O-H"	-19.01839
"71108"	237.729590666667	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M-3H"	-3.021828
"512855"	357.098024	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M-3H"	-3.021828
"886283"	118.361157333333	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-3H"	-3.021828
"9231"	357.098024	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M-2H"	-2.014552
"452070"	536.150674	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M-2H"	-2.014552
"830239"	178.045374	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-2H"	-2.014552
"91690"	715.203324	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M-H"	-1.007276
"529425"	1073.308624	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M-H"	-1.007276
"909050"	357.098024	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-H"	-1.007276
"59414"	732.229871	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M-2H+NH4"	16.019271
"498975"	1090.335171	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M-2H+NH4"	16.019271
"873497"	374.124571	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-2H+NH4"	16.019271
"42860"	737.185266	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M-2H+Na"	20.974666
"478772"	1095.290566	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M-2H+Na"	20.974666
"856575"	379.079966	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-2H+Na"	20.974666
"1629391"	379.079966	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Na-2H"	20.974666
"105197"	375.086363	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M-H+Cl"	33.962126
"548771"	554.139013	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M-H+Cl"	33.962126
"936815"	196.033713	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-H+Cl"	33.962126
"276466"	751.180002	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+Cl"	34.969402
"672168"	1109.285302	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+Cl"	34.969402
"1283477"	393.074702	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Cl"	34.969402
"29804"	753.159206	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M-2H+K"	36.948606
"469607"	1111.264506	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M-2H+K"	36.948606
"837201"	395.053906	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-2H+K"	36.948606
"1565797"	395.053906	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+K-2H"	36.948606
"951493"	403.103494	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-H+HCOOH"	44.998194
"374082"	761.208801	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+HCOOH-H"	44.998201
"350313"	775.224451	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+Hac-H"	59.013851
"1495864"	417.119151	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Hac-H"	59.013851
"962311"	425.085451	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-H+NaCOOH"	66.980151
"112676"	393.074702	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+2Cl"	69.938804
"553326"	572.127352	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+2Cl"	69.938804
"1025405"	214.022052	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2Cl"	69.938804
"1244984"	437.024185	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Br"	78.918885
"1306339"	439.080172	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Cl+HCOOH"	80.974872
"1323110"	461.062129	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Cl+NaCOOH"	102.956829
"914899"	471.090886	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M-H+CF3COOH"	112.985586
"1294527"	507.067564	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Cl+CF3COOH"	148.962264
"1382174"	323.092624	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H-2H2O"	-35.012676
"1397485"	341.1026	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H-H2O"	-17.0027
"295347"	717.217876	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+H"	1.007276
"689954"	1075.323176	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+H"	1.007276
"1363024"	359.112576	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H"	1.007276
"134822"	359.112576	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+2H"	2.014552
"573289"	538.165226	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+2H"	2.014552
"1050473"	180.059926	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2H"	2.014552
"217645"	239.744142666667	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+3H"	3.021828
"655018"	359.112576	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+3H"	3.021828
"1172048"	120.375709333333	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+3H"	3.021828
"433134"	734.244423	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+NH4"	18.033823
"796318"	1092.349723	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+NH4"	18.033823
"1692647"	376.139123	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+NH4"	18.033823
"332538"	367.6258495	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+H+NH4"	19.041099
"723989"	546.6784995	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+H+NH4"	19.041099
"1482789"	188.5731995	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H+NH4"	19.041099
"396005"	739.199818	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+Na"	22.989218
"758095"	1097.305118	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+Na"	22.989218
"1608382"	381.094518	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Na"	22.989218
"317326"	370.103547	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+H+Na"	23.996494
"711210"	549.156197	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+H+Na"	23.996494
"1464665"	191.050897	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H+Na"	23.996494
"1057913"	127.703023333333	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2H+Na"	25.00377
"1262871"	391.138786	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+CH3OH+H"	33.033486
"386916"	755.173758	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+K"	38.963158
"749006"	1113.279058	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+K"	38.963158
"1545591"	397.068458	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+K"	38.963158
"301674"	378.090517	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+H+K"	39.970434
"695552"	557.143167	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+H+K"	39.970434
"1451194"	199.037867	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H+K"	39.970434
"241983"	758.244426	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+ACN+H"	42.033826
"1213597"	400.139126	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+ACN+H"	42.033826
"1201850"	200.573201	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+ACN+2H"	43.041102
"194721"	761.18176	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+2Na-H"	44.97116
"636468"	1119.28706	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+2Na-H"	44.97116
"1137787"	403.07646	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2Na-H"	44.97116
"179989"	381.094518	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+2Na"	45.978436
"621731"	560.147168	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+2Na"	45.978436
"1124146"	202.041868	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2Na"	45.978436
"1402933"	135.030337333333	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H+2Na"	46.985712
"1437605"	405.118046	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H+HCOOH"	47.012746
"235205"	386.12754	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+3H2O+2H"	56.04448
"1521935"	419.17009	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+IsoProp+H"	61.06479
"423439"	389.081488	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+Na+K"	61.952376
"783344"	568.134138	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+Na+K"	61.952376
"1678580"	210.028838	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Na+K"	61.952376
"265830"	780.226368	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+ACN+Na"	64.015768
"1239266"	422.121068	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+ACN+Na"	64.015768
"1724867"	422.144593	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+NH4+HCOOH"	64.039293
"1192657"	142.357651333333	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+3Na"	68.967654
"1663041"	427.099988	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Na+HCOOH"	68.994688
"170257"	793.12964	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+2K-H"	76.91904
"609815"	1151.23494	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+2K-H"	76.91904
"1096517"	435.02434	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2K-H"	76.91904
"150057"	397.068458	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"2M+2K"	77.926316
"592533"	576.121108	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"3M+2K"	77.926316
"1078503"	218.015808	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2K"	77.926316
"1112077"	437.038892	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2K+H"	78.933592
"1341540"	437.126507	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+DMSO+H"	79.021207
"1015535"	441.165676	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2ACN+H"	83.060376
"1533660"	442.159308	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+IsoProp+Na+H"	84.054008
"992456"	221.086476	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+2ACN+2H"	84.067652
"1590239"	443.073928	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+K+HCOOH"	84.968628
"1414557"	473.105438	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+H+CF3COOH"	115.000138
"1147150"	241.599751	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+3ACN+2H"	125.094202
"1706676"	490.131985	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+NH4+CF3COOH"	132.026685
"1635400"	495.08738	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+Na+CF3COOH"	136.98208
"1574696"	511.06132	"C15109"	"Gardenin B;5-Hydroxy-2-(4-methoxyphenyl)-678-trimethoxy-4H-1-benzopyran-4-one;5-Hydroxy-4678-tetramethoxyflavone;Demethyltangeretin"	"C19H18O7"	"358.1053"	"M+K+CF3COOH"	152.95602
"802511"	268.0736	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M"	0
"989167"	249.05521	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-H2O-H"	-19.01839
"78141"	177.708457333333	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M-3H"	-3.021828
"516246"	267.066324	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M-3H"	-3.021828
"888580"	88.3505906666667	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-3H"	-3.021828
"12621"	267.066324	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M-2H"	-2.014552
"451086"	401.103124	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M-2H"	-2.014552
"830712"	133.029524	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-2H"	-2.014552
"92166"	535.139924	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M-H"	-1.007276
"528441"	803.213524	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M-H"	-1.007276
"908795"	267.066324	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-H"	-1.007276
"56243"	552.166471	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M-2H+NH4"	16.019271
"495805"	820.240071	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M-2H+NH4"	16.019271
"872514"	284.092871	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-2H+NH4"	16.019271
"43699"	557.121866	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M-2H+Na"	20.974666
"478882"	825.195466	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M-2H+Na"	20.974666
"853405"	289.048266	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-2H+Na"	20.974666
"1629501"	289.048266	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Na-2H"	20.974666
"106035"	285.054663	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M-H+Cl"	33.962126
"546690"	419.091463	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M-H+Cl"	33.962126
"941299"	151.017863	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-H+Cl"	33.962126
"277669"	571.116602	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+Cl"	34.969402
"672278"	839.190202	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+Cl"	34.969402
"1283587"	303.043002	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Cl"	34.969402
"28698"	573.095806	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M-2H+K"	36.948606
"470935"	841.169406	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M-2H+K"	36.948606
"844601"	305.022206	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-2H+K"	36.948606
"1564814"	305.022206	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+K-2H"	36.948606
"955248"	313.071794	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-H+HCOOH"	44.998194
"374557"	581.145401	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+HCOOH-H"	44.998201
"359172"	595.161051	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+Hac-H"	59.013851
"1503630"	327.087451	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Hac-H"	59.013851
"962422"	335.053751	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-H+NaCOOH"	66.980151
"112785"	303.043002	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+2Cl"	69.938804
"553074"	437.079802	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+2Cl"	69.938804
"1024787"	169.006202	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2Cl"	69.938804
"1244367"	346.992485	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Br"	78.918885
"1306450"	349.048472	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Cl+HCOOH"	80.974872
"1322857"	371.030429	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Cl+NaCOOH"	102.956829
"913916"	381.059186	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M-H+CF3COOH"	112.985586
"1294637"	417.035864	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Cl+CF3COOH"	148.962264
"1382119"	233.060924	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H-2H2O"	-35.012676
"1397351"	251.0709	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H-H2O"	-17.0027
"295458"	537.154476	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+H"	1.007276
"688609"	805.228076	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+H"	1.007276
"1363134"	269.080876	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H"	1.007276
"128371"	269.080876	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+2H"	2.014552
"579597"	403.117676	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+2H"	2.014552
"1049855"	135.044076	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2H"	2.014552
"213380"	179.723009333333	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+3H"	3.021828
"652941"	269.080876	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+3H"	3.021828
"1175440"	90.3651426666667	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+3H"	3.021828
"436525"	554.181023	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+NH4"	18.033823
"790960"	822.254623	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+NH4"	18.033823
"1689477"	286.107423	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+NH4"	18.033823
"331923"	277.5941495	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+H+NH4"	19.041099
"725437"	411.6309495	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+H+NH4"	19.041099
"1482171"	143.5573495	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H+NH4"	19.041099
"397936"	559.136418	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+Na"	22.989218
"760390"	827.210018	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+Na"	22.989218
"1606305"	291.062818	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Na"	22.989218
"319624"	280.071847	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+H+Na"	23.996494
"710956"	414.108647	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+H+Na"	23.996494
"1461737"	146.035047	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H+Na"	23.996494
"1054861"	97.6924566666667	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2H+Na"	25.00377
"1257346"	301.107086	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+CH3OH+H"	33.033486
"383745"	575.110358	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+K"	38.963158
"751304"	843.183958	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+K"	38.963158
"1545701"	307.036758	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+K"	38.963158
"302877"	288.058817	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+H+K"	39.970434
"695298"	422.095617	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+H+K"	39.970434
"1452398"	154.022017	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H+K"	39.970434
"243187"	578.181026	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+ACN+H"	42.033826
"1214803"	310.107426	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+ACN+H"	42.033826
"1201965"	155.557351	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+ACN+2H"	43.041102
"195199"	581.11836	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+2Na-H"	44.97116
"637674"	849.19196	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+2Na-H"	44.97116
"1140088"	313.04476	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2Na-H"	44.97116
"179370"	291.062818	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+2Na"	45.978436
"618929"	425.099618	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+2Na"	45.978436
"1122433"	157.026018	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2Na"	45.978436
"1402679"	105.019770666667	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H+2Na"	46.985712
"1443182"	315.086346	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H+HCOOH"	47.012746
"234827"	296.09584	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+3H2O+2H"	56.04448
"1523707"	329.13839	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+IsoProp+H"	61.06479
"423794"	299.049788	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+Na+K"	61.952376
"784547"	433.086588	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+Na+K"	61.952376
"1679422"	165.012988	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Na+K"	61.952376
"265576"	600.162968	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+ACN+Na"	64.015768
"1239012"	332.089368	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+ACN+Na"	64.015768
"1722791"	332.112893	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+NH4+HCOOH"	64.039293
"1192523"	112.347084666667	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+3Na"	68.967654
"1664237"	337.068288	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Na+HCOOH"	68.994688
"171828"	613.06624	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+2K-H"	76.91904
"608835"	881.13984	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+2K-H"	76.91904
"1096637"	344.99264	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2K-H"	76.91904
"151260"	307.036758	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"2M+2K"	77.926316
"591913"	441.073558	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"3M+2K"	77.926316
"1077519"	172.999958	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2K"	77.926316
"1111822"	347.007192	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2K+H"	78.933592
"1346021"	347.094807	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+DMSO+H"	79.021207
"1014550"	351.133976	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2ACN+H"	83.060376
"1531582"	352.127608	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+IsoProp+Na+H"	84.054008
"998034"	176.070626	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+2ACN+2H"	84.067652
"1594725"	353.042228	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+K+HCOOH"	84.968628
"1416011"	383.073738	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+H+CF3COOH"	115.000138
"1149944"	196.583901	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+3ACN+2H"	125.094202
"1711160"	400.100285	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+NH4+CF3COOH"	132.026685
"1643530"	405.05568	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+Na+CF3COOH"	136.98208
"1575901"	421.02962	"C15110"	"1-6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-ylethanone;6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O4"	"268.0736"	"M+K+CF3COOH"	152.95602
"808453"	252.0786	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M"	0
"989036"	233.06021	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-H2O-H"	-19.01839
"77728"	167.045124	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M-3H"	-3.021828
"514167"	251.071324	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M-3H"	-3.021828
"894158"	83.018924	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-3H"	-3.021828
"13825"	251.071324	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M-2H"	-2.014552
"452290"	377.110624	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M-2H"	-2.014552
"832280"	125.032024	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-2H"	-2.014552
"91908"	503.149924	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M-H"	-1.007276
"530739"	755.228524	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M-H"	-1.007276
"908176"	251.071324	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-H"	-1.007276
"57083"	520.176471	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M-2H+NH4"	16.019271
"495551"	772.255071	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M-2H+NH4"	16.019271
"873352"	268.097871	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-2H+NH4"	16.019271
"40522"	525.131866	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M-2H+Na"	20.974666
"477895"	777.210466	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M-2H+Na"	20.974666
"853509"	273.053266	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-2H+Na"	20.974666
"1630703"	273.053266	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Na-2H"	20.974666
"109927"	269.059663	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M-H+Cl"	33.962126
"549684"	395.098963	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M-H+Cl"	33.962126
"940684"	143.020363	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-H+Cl"	33.962126
"282324"	539.126602	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+Cl"	34.969402
"674698"	791.205202	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+Cl"	34.969402
"1286616"	287.048002	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Cl"	34.969402
"28442"	541.105806	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M-2H+K"	36.948606
"470679"	793.184406	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M-2H+K"	36.948606
"843617"	289.027206	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-2H+K"	36.948606
"1562737"	289.027206	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+K-2H"	36.948606
"953899"	297.076794	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-H+HCOOH"	44.998194
"377005"	549.155401	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+HCOOH-H"	44.998201
"360864"	563.171051	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+Hac-H"	59.013851
"1504833"	311.092451	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Hac-H"	59.013851
"962532"	319.058751	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-H+NaCOOH"	66.980151
"112163"	287.048002	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+2Cl"	69.938804
"554278"	413.087302	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+2Cl"	69.938804
"1027450"	161.008702	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2Cl"	69.938804
"1244112"	330.997485	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Br"	78.918885
"1308384"	333.053472	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Cl+HCOOH"	80.974872
"1322238"	355.035429	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Cl+NaCOOH"	102.956829
"912933"	365.064186	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M-H+CF3COOH"	112.985586
"1295840"	401.040864	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Cl+CF3COOH"	148.962264
"1382391"	217.065924	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H-2H2O"	-35.012676
"1396614"	235.0759	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H-H2O"	-17.0027
"294112"	505.164476	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+H"	1.007276
"689816"	757.243076	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+H"	1.007276
"1364341"	253.085876	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H"	1.007276
"129575"	253.085876	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+2H"	2.014552
"579341"	379.125176	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+2H"	2.014552
"1048506"	127.046576	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2H"	2.014552
"213491"	169.059676	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+3H"	3.021828
"651961"	253.085876	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+3H"	3.021828
"1172271"	85.033476	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+3H"	3.021828
"432262"	522.191023	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+NH4"	18.033823
"791069"	774.269623	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+NH4"	18.033823
"1692141"	270.112423	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+NH4"	18.033823
"335314"	261.5991495	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+H+NH4"	19.041099
"727735"	387.6384495	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+H+NH4"	19.041099
"1481554"	135.5598495	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H+NH4"	19.041099
"400599"	527.146418	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+Na"	22.989218
"762686"	779.225018	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+Na"	22.989218
"1608598"	275.067818	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Na"	22.989218
"318637"	264.076847	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+H+Na"	23.996494
"711066"	390.116147	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+H+Na"	23.996494
"1461844"	138.037547	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H+Na"	23.996494
"1053147"	92.36079	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2H+Na"	25.00377
"1257252"	285.112086	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+CH3OH+H"	33.033486
"386041"	543.120358	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+K"	38.963158
"751413"	795.198958	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+K"	38.963158
"1545811"	291.041758	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+K"	38.963158
"307362"	272.063817	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+H+K"	39.970434
"696502"	398.103117	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+H+K"	39.970434
"1453602"	146.024517	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H+K"	39.970434
"243297"	546.191026	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+ACN+H"	42.033826
"1216006"	294.112426	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+ACN+H"	42.033826
"1199523"	147.559851	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+ACN+2H"	43.041102
"195309"	549.12836	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+2Na-H"	44.97116
"639969"	801.20696	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+2Na-H"	44.97116
"1144938"	297.04976	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2Na-H"	44.97116
"181303"	275.067818	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+2Na"	45.978436
"625960"	401.107118	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+2Na"	45.978436
"1125823"	149.028518	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2Na"	45.978436
"1404612"	99.688104	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H+2Na"	46.985712
"1441105"	299.091346	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H+HCOOH"	47.012746
"230802"	280.10084	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+3H2O+2H"	56.04448
"1517769"	313.14339	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+IsoProp+H"	61.06479
"422924"	283.054788	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+Na+K"	61.952376
"784286"	409.094088	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+Na+K"	61.952376
"1681275"	157.015488	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Na+K"	61.952376
"266285"	568.172968	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+ACN+Na"	64.015768
"1239731"	316.094368	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+ACN+Na"	64.015768
"1726548"	316.117893	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+NH4+HCOOH"	64.039293
"1192633"	107.015418	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+3Na"	68.967654
"1661432"	321.073288	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Na+HCOOH"	68.994688
"170481"	581.07624	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+2K-H"	76.91904
"611140"	833.15484	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+2K-H"	76.91904
"1097107"	328.99764	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2K-H"	76.91904
"154286"	291.041758	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"2M+2K"	77.926316
"592023"	417.081058	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"3M+2K"	77.926316
"1081638"	165.002458	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2K"	77.926316
"1114119"	331.012192	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2K+H"	78.933592
"1348317"	331.099807	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+DMSO+H"	79.021207
"1019762"	335.138976	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2ACN+H"	83.060376
"1536066"	336.132608	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+IsoProp+Na+H"	84.054008
"995954"	168.073126	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+2ACN+2H"	84.067652
"1592643"	337.047228	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+K+HCOOH"	84.968628
"1418308"	367.078738	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+H+CF3COOH"	115.000138
"1150418"	188.586401	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+3ACN+2H"	125.094202
"1703615"	384.105285	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+NH4+CF3COOH"	132.026685
"1640360"	389.06068	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+Na+CF3COOH"	136.98208
"1573824"	405.03462	"C15111"	"1-2-(4-Hydroxyphenyl)-1-benzofuran-3-ylethanone;2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone"	"C16H12O3"	"252.0786"	"M+K+CF3COOH"	152.95602
"802003"	380.2163	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M"	0
"984283"	361.19791	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-H2O-H"	-19.01839
"64871"	252.470257333333	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M-3H"	-3.021828
"514278"	379.209024	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M-3H"	-3.021828
"893175"	125.731490666667	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-3H"	-3.021828
"12842"	379.209024	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M-2H"	-2.014552
"450213"	569.317174	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M-2H"	-2.014552
"830203"	189.100874	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-2H"	-2.014552
"92018"	759.425324	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M-H"	-1.007276
"526474"	1139.641624	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M-H"	-1.007276
"906829"	379.209024	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-H"	-1.007276
"57194"	776.451871	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M-2H+NH4"	16.019271
"495661"	1156.668171	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M-2H+NH4"	16.019271
"870546"	396.235571	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-2H+NH4"	16.019271
"39539"	781.407266	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M-2H+Na"	20.974666
"476910"	1161.623566	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M-2H+Na"	20.974666
"851432"	401.190966	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-2H+Na"	20.974666
"1618859"	401.190966	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Na-2H"	20.974666
"109792"	397.197363	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M-H+Cl"	33.962126
"549796"	587.305513	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M-H+Cl"	33.962126
"942584"	207.089213	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-H+Cl"	33.962126
"282392"	795.402002	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+Cl"	34.969402
"673592"	1175.618302	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+Cl"	34.969402
"1288190"	415.185702	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Cl"	34.969402
"29282"	797.381206	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M-2H+K"	36.948606
"471310"	1177.597506	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M-2H+K"	36.948606
"845187"	417.164906	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-2H+K"	36.948606
"1569038"	417.164906	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+K-2H"	36.948606
"954009"	425.214494	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-H+HCOOH"	44.998194
"376921"	805.430801	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+HCOOH-H"	44.998201
"356837"	819.446451	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+Hac-H"	59.013851
"1503483"	439.230151	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Hac-H"	59.013851
"961548"	447.196451	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-H+NaCOOH"	66.980151
"112639"	415.185702	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+2Cl"	69.938804
"551952"	605.293852	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+2Cl"	69.938804
"1025374"	225.077552	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2Cl"	69.938804
"1243855"	459.135185	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Br"	78.918885
"1306304"	461.191172	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Cl+HCOOH"	80.974872
"1321255"	483.173129	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Cl+NaCOOH"	102.956829
"911620"	493.201886	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M-H+CF3COOH"	112.985586
"1297043"	529.178564	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Cl+CF3COOH"	148.962264
"1382499"	345.203624	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H-2H2O"	-35.012676
"1394536"	363.2136	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H-H2O"	-17.0027
"294588"	761.439876	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+H"	1.007276
"688466"	1141.656176	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+H"	1.007276
"1364814"	381.223576	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H"	1.007276
"129320"	381.223576	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+2H"	2.014552
"578360"	571.331726	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+2H"	2.014552
"1043878"	191.115426	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2H"	2.014552
"212508"	254.484809333333	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+3H"	3.021828
"648791"	381.223576	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+3H"	3.021828
"1166914"	127.746042666667	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+3H"	3.021828
"433466"	778.466423	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+NH4"	18.033823
"791181"	1158.682723	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+NH4"	18.033823
"1692978"	398.250123	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+NH4"	18.033823
"337976"	389.7368495	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+H+NH4"	19.041099
"731492"	579.8449995	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+H+NH4"	19.041099
"1487497"	199.6286995	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H+NH4"	19.041099
"406177"	783.421818	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+Na"	22.989218
"768874"	1163.638118	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+Na"	22.989218
"1609804"	403.205518	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Na"	22.989218
"317656"	392.214547	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+H+Na"	23.996494
"710083"	582.322697	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+H+Na"	23.996494
"1461509"	202.106397	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H+Na"	23.996494
"1053011"	135.073356666667	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2H+Na"	25.00377
"1257241"	413.249786	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+CH3OH+H"	33.033486
"385058"	799.395758	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+K"	38.963158
"751523"	1179.612058	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+K"	38.963158
"1544828"	419.179458	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+K"	38.963158
"307472"	400.201517	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+H+K"	39.970434
"696612"	590.309667	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+H+K"	39.970434
"1454806"	210.093367	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H+K"	39.970434
"244500"	802.466426	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+ACN+H"	42.033826
"1216116"	422.250126	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+ACN+H"	42.033826
"1199998"	211.628701	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+ACN+2H"	43.041102
"195420"	805.40376	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+2Na-H"	44.97116
"637896"	1185.62006	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+2Na-H"	44.97116
"1143955"	425.18746	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2Na-H"	44.97116
"181413"	403.205518	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+2Na"	45.978436
"622062"	593.313668	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+2Na"	45.978436
"1120467"	213.097368	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2Na"	45.978436
"1404722"	142.400670666667	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H+2Na"	46.985712
"1441215"	427.229046	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H+HCOOH"	47.012746
"229819"	408.23854	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+3H2O+2H"	56.04448
"1516786"	441.28109	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+IsoProp+H"	61.06479
"418660"	411.192488	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+Na+K"	61.952376
"784030"	601.300638	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+Na+K"	61.952376
"1680726"	221.084338	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Na+K"	61.952376
"265787"	824.448368	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+ACN+Na"	64.015768
"1241058"	444.232068	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+ACN+Na"	64.015768
"1721920"	444.255593	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+NH4+HCOOH"	64.039293
"1190556"	149.727984666667	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+3Na"	68.967654
"1661180"	449.210988	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Na+HCOOH"	68.994688
"170230"	837.35164	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+2K-H"	76.91904
"609790"	1217.56794	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+2K-H"	76.91904
"1093573"	457.13534	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2K-H"	76.91904
"153667"	419.179458	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"2M+2K"	77.926316
"589948"	609.287608	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"3M+2K"	77.926316
"1079927"	229.071308	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2K"	77.926316
"1112410"	459.149892	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2K+H"	78.933592
"1348428"	459.237507	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+DMSO+H"	79.021207
"1019146"	463.276676	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2ACN+H"	83.060376
"1535083"	464.270308	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+IsoProp+Na+H"	84.054008
"994974"	232.141976	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+2ACN+2H"	84.067652
"1591660"	465.184928	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+K+HCOOH"	84.968628
"1419511"	495.216438	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+H+CF3COOH"	115.000138
"1157455"	252.655251	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+3ACN+2H"	125.094202
"1703725"	512.242985	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+NH4+CF3COOH"	132.026685
"1640470"	517.19838	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+Na+CF3COOH"	136.98208
"1573934"	533.17232	"C15112"	"44-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate"	"C22H30F2O3"	"380.2163"	"M+K+CF3COOH"	152.95602
"803206"	350.2257	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M"	0
"982206"	331.20731	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-H2O-H"	-19.01839
"73731"	232.476524	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M-3H"	-3.021828
"515482"	349.218424	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M-3H"	-3.021828
"894745"	115.734624	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-3H"	-3.021828
"14048"	349.218424	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M-2H"	-2.014552
"452513"	524.331274	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M-2H"	-2.014552
"830315"	174.105574	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-2H"	-2.014552
"91038"	699.444124	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M-H"	-1.007276
"530595"	1049.669824	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M-H"	-1.007276
"909856"	349.218424	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-H"	-1.007276
"60713"	716.470671	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+NH4"	16.019271
"501123"	1066.696371	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+NH4"	16.019271
"877584"	366.244971	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-2H+NH4"	16.019271
"45120"	721.426066	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+Na"	20.974666
"483951"	1071.651766	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+Na"	20.974666
"862848"	371.200366	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-2H+Na"	20.974666
"1624356"	371.200366	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Na-2H"	20.974666
"108197"	367.206763	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M-H+Cl"	33.962126
"548969"	542.319613	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M-H+Cl"	33.962126
"937258"	192.093913	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-H+Cl"	33.962126
"281527"	735.420802	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+Cl"	34.969402
"671518"	1085.646502	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+Cl"	34.969402
"1285743"	385.195102	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Cl"	34.969402
"30000"	737.400006	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+K"	36.948606
"470169"	1087.625706	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+K"	36.948606
"847115"	387.174306	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-2H+K"	36.948606
"1569509"	387.174306	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+K-2H"	36.948606
"947549"	395.223894	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-H+HCOOH"	44.998194
"370877"	745.449601	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+HCOOH-H"	44.998201
"354030"	759.465251	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+Hac-H"	59.013851
"1498489"	409.239551	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Hac-H"	59.013851
"962752"	417.205851	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-H+NaCOOH"	66.980151
"110563"	385.195102	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+2Cl"	69.938804
"551212"	560.307952	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+2Cl"	69.938804
"1022568"	210.082252	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2Cl"	69.938804
"1244332"	429.144585	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Br"	78.918885
"1307510"	431.200572	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+HCOOH"	80.974872
"1320066"	453.182529	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+NaCOOH"	102.956829
"911421"	463.211286	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M-H+CF3COOH"	112.985586
"1297153"	499.187964	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+CF3COOH"	148.962264
"1376407"	315.213024	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H-2H2O"	-35.012676
"1397430"	333.223	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H-H2O"	-17.0027
"295792"	701.458676	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+H"	1.007276
"687847"	1051.684376	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+H"	1.007276
"1365289"	351.232976	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H"	1.007276
"134168"	351.232976	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+2H"	2.014552
"579804"	526.345826	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+2H"	2.014552
"1046904"	176.120126	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2H"	2.014552
"212619"	234.491076	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+3H"	3.021828
"649993"	351.232976	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+3H"	3.021828
"1170305"	117.749176	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+3H"	3.021828
"431021"	718.485223	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+NH4"	18.033823
"793477"	1068.710923	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+NH4"	18.033823
"1693455"	368.259523	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+NH4"	18.033823
"342464"	359.7462495	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+H+NH4"	19.041099
"733790"	534.8590995	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+H+NH4"	19.041099
"1488337"	184.6333995	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H+NH4"	19.041099
"405558"	723.440618	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+Na"	22.989218
"768379"	1073.666318	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+Na"	22.989218
"1609915"	373.214918	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Na"	22.989218
"318859"	362.223947	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+H+Na"	23.996494
"712380"	537.336797	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+H+Na"	23.996494
"1462547"	187.111097	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H+Na"	23.996494
"1052954"	125.07649	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2H+Na"	25.00377
"1258200"	383.259186	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+CH3OH+H"	33.033486
"377266"	739.414558	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+K"	38.963158
"738582"	1089.640258	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+K"	38.963158
"1539920"	389.188858	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+K"	38.963158
"301018"	370.210917	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+H+K"	39.970434
"698906"	545.323767	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+H+K"	39.970434
"1450536"	195.098067	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H+K"	39.970434
"241690"	742.485226	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+ACN+H"	42.033826
"1219502"	392.259526	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+H"	42.033826
"1203384"	196.633401	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+2H"	43.041102
"196257"	745.42256	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+2Na-H"	44.97116
"638005"	1095.64826	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+2Na-H"	44.97116
"1143943"	395.19686	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2Na-H"	44.97116
"183706"	373.214918	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+2Na"	45.978436
"622901"	548.327768	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+2Na"	45.978436
"1122036"	198.102068	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2Na"	45.978436
"1404833"	132.403804	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H+2Na"	46.985712
"1441325"	397.238446	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H+HCOOH"	47.012746
"226649"	378.24794	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+3H2O+2H"	56.04448
"1515802"	411.29049	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+IsoProp+H"	61.06479
"418770"	381.201888	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+Na+K"	61.952376
"784386"	556.314738	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+Na+K"	61.952376
"1679865"	206.089038	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Na+K"	61.952376
"266023"	764.467168	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+ACN+Na"	64.015768
"1240931"	414.241468	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+Na"	64.015768
"1723854"	414.264993	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+NH4+HCOOH"	64.039293
"1189211"	139.731118	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+3Na"	68.967654
"1660195"	419.220388	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Na+HCOOH"	68.994688
"169977"	777.37044	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+2K-H"	76.91904
"610267"	1127.59614	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+2K-H"	76.91904
"1096599"	427.14474	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2K-H"	76.91904
"151954"	389.188858	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"2M+2K"	77.926316
"591880"	564.301708	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"3M+2K"	77.926316
"1079309"	214.076008	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2K"	77.926316
"1113249"	429.159292	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2K+H"	78.933592
"1348905"	429.246907	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+DMSO+H"	79.021207
"1018163"	433.286076	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2ACN+H"	83.060376
"1535560"	434.279708	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+IsoProp+Na+H"	84.054008
"993991"	217.146676	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+2ACN+2H"	84.067652
"1595050"	435.194328	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+K+HCOOH"	84.968628
"1418525"	465.225838	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+H+CF3COOH"	115.000138
"1149905"	237.659951	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+3ACN+2H"	125.094202
"1701646"	482.252385	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+NH4+CF3COOH"	132.026685
"1636204"	487.20778	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+Na+CF3COOH"	136.98208
"1575136"	503.18172	"C15113"	"9-Fluoro-11beta17beta-dihydroxy-217-dimethylandrost-4-en-3-one"	"C21H31FO3"	"350.2257"	"M+K+CF3COOH"	152.95602
"802344"	298.1933	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M"	0
"979036"	279.17491	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-H2O-H"	-19.01839
"71654"	197.788257333333	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M-3H"	-3.021828
"518362"	297.186024	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M-3H"	-3.021828
"895344"	98.3904906666667	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-3H"	-3.021828
"14885"	297.186024	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M-2H"	-2.014552
"454812"	446.282674	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M-2H"	-2.014552
"829331"	148.089374	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-2H"	-2.014552
"91511"	595.379324	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M-H"	-1.007276
"531435"	893.572624	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M-H"	-1.007276
"907049"	297.186024	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-H"	-1.007276
"56684"	612.405871	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M-2H+NH4"	16.019271
"498069"	910.599171	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M-2H+NH4"	16.019271
"876965"	314.212571	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-2H+NH4"	16.019271
"43771"	617.361266	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M-2H+Na"	20.974666
"482602"	915.554566	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M-2H+Na"	20.974666
"857123"	319.167966	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-2H+Na"	20.974666
"1624466"	319.167966	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Na-2H"	20.974666
"108544"	315.174363	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M-H+Cl"	33.962126
"548960"	464.271013	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M-H+Cl"	33.962126
"936275"	166.077713	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-H+Cl"	33.962126
"280905"	631.356002	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+Cl"	34.969402
"672718"	929.549302	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+Cl"	34.969402
"1286214"	333.162702	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Cl"	34.969402
"28769"	633.335206	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M-2H+K"	36.948606
"467239"	931.528506	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M-2H+K"	36.948606
"841760"	335.141906	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-2H+K"	36.948606
"1565247"	335.141906	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+K-2H"	36.948606
"948755"	343.191494	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-H+HCOOH"	44.998194
"374267"	641.384801	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+HCOOH-H"	44.998201
"356327"	655.400451	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+Hac-H"	59.013851
"1498599"	357.207151	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Hac-H"	59.013851
"962862"	365.173451	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-H+NaCOOH"	66.980151
"110675"	333.162702	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+2Cl"	69.938804
"553147"	482.259352	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+2Cl"	69.938804
"1023771"	184.066052	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2Cl"	69.938804
"1244442"	377.112185	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Br"	78.918885
"1307255"	379.168172	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Cl+HCOOH"	80.974872
"1323299"	401.150129	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Cl+NaCOOH"	102.956829
"916181"	411.178886	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M-H+CF3COOH"	112.985586
"1291795"	447.155564	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Cl+CF3COOH"	148.962264
"1373236"	263.180624	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H-2H2O"	-35.012676
"1396202"	281.1906	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H-H2O"	-17.0027
"295538"	597.393876	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+H"	1.007276
"690628"	895.587176	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+H"	1.007276
"1365402"	299.200576	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H"	1.007276
"134278"	299.200576	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+2H"	2.014552
"577122"	448.297226	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+2H"	2.014552
"1049202"	150.103926	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2H"	2.014552
"214916"	199.802809333333	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+3H"	3.021828
"651196"	299.200576	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+3H"	3.021828
"1170416"	100.405042666667	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+3H"	3.021828
"431496"	614.420423	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+NH4"	18.033823
"793589"	912.613723	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+NH4"	18.033823
"1694295"	316.227123	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+NH4"	18.033823
"343667"	307.7138495	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+H+NH4"	19.041099
"736087"	456.8104995	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+H+NH4"	19.041099
"1487716"	158.6171995	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H+NH4"	19.041099
"403118"	619.375818	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+Na"	22.989218
"764112"	917.569118	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+Na"	22.989218
"1610025"	321.182518	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Na"	22.989218
"322251"	310.191547	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+H+Na"	23.996494
"708476"	459.288197	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+H+Na"	23.996494
"1461974"	161.094897	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H+Na"	23.996494
"1054202"	107.732356666667	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2H+Na"	25.00377
"1259041"	331.226786	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+CH3OH+H"	33.033486
"377535"	635.349758	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+K"	38.963158
"739708"	933.543058	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+K"	38.963158
"1539894"	337.156458	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+K"	38.963158
"300762"	318.178517	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+H+K"	39.970434
"696829"	467.275167	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+H+K"	39.970434
"1450649"	169.081867	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H+K"	39.970434
"240344"	638.420426	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+ACN+H"	42.033826
"1216331"	340.227126	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+ACN+H"	42.033826
"1201307"	170.617201	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+ACN+2H"	43.041102
"194177"	641.35776	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+2Na-H"	44.97116
"638114"	939.55106	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+2Na-H"	44.97116
"1140889"	343.16446	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2Na-H"	44.97116
"184184"	321.182518	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+2Na"	45.978436
"617183"	470.279168	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+2Na"	45.978436
"1121420"	172.085868	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2Na"	45.978436
"1404943"	115.059670666667	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H+2Na"	46.985712
"1440342"	345.206046	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H+HCOOH"	47.012746
"233931"	326.21554	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+3H2O+2H"	56.04448
"1521381"	359.25809	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+IsoProp+H"	61.06479
"421068"	329.169488	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+Na+K"	61.952376
"784618"	478.266138	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+Na+K"	61.952376
"1679367"	180.072838	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Na+K"	61.952376
"266255"	660.402368	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+ACN+Na"	64.015768
"1240797"	362.209068	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+ACN+Na"	64.015768
"1725060"	362.232593	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+NH4+HCOOH"	64.039293
"1190413"	122.386984666667	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+3Na"	68.967654
"1662856"	367.187988	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Na+HCOOH"	68.994688
"168994"	673.30564	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+2K-H"	76.91904
"611468"	971.49894	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+2K-H"	76.91904
"1095979"	375.11234	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2K-H"	76.91904
"153158"	337.156458	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"2M+2K"	77.926316
"592720"	486.253108	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"3M+2K"	77.926316
"1081969"	188.059808	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2K"	77.926316
"1114088"	377.126892	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2K+H"	78.933592
"1350477"	377.214507	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+DMSO+H"	79.021207
"1020583"	381.253676	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2ACN+H"	83.060376
"1538586"	382.247308	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+IsoProp+Na+H"	84.054008
"996287"	191.130476	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+2ACN+2H"	84.067652
"1592973"	383.161928	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+K+HCOOH"	84.968628
"1418635"	413.193438	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+H+CF3COOH"	115.000138
"1148922"	211.643751	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+3ACN+2H"	125.094202
"1700661"	430.219985	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+NH4+CF3COOH"	132.026685
"1636314"	435.17538	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+Na+CF3COOH"	136.98208
"1575246"	451.14932	"C15114"	"3-Methoxy-510-seco-519-cycloandrosta-1(10)24-trien-17-one;3-Methoxy-519-cyclo-510-secoandrosta-1(10)24-trien-17-one"	"C20H26O2"	"298.1933"	"M+K+CF3COOH"	152.95602
"802333"	358.2508	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M"	0
"982426"	339.23241	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-H2O-H"	-19.01839
"71764"	237.826590666667	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M-3H"	-3.021828
"509138"	357.243524	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M-3H"	-3.021828
"895456"	118.409657333333	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-3H"	-3.021828
"13537"	357.243524	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M-2H"	-2.014552
"450182"	536.368924	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M-2H"	-2.014552
"827254"	178.118124	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-2H"	-2.014552
"91986"	715.494324	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M-H"	-1.007276
"528992"	1073.745124	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M-H"	-1.007276
"908618"	357.243524	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-H"	-1.007276
"55701"	732.520871	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M-2H+NH4"	16.019271
"498179"	1090.771671	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M-2H+NH4"	16.019271
"877075"	374.270071	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-2H+NH4"	16.019271
"43152"	737.476266	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M-2H+Na"	20.974666
"481619"	1095.727066	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M-2H+Na"	20.974666
"857233"	379.225466	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-2H+Na"	20.974666
"1627856"	379.225466	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Na-2H"	20.974666
"97827"	375.231863	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M-H+Cl"	33.962126
"549633"	554.357263	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M-H+Cl"	33.962126
"937478"	196.106463	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-H+Cl"	33.962126
"281015"	751.471002	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+Cl"	34.969402
"673558"	1109.721802	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+Cl"	34.969402
"1286324"	393.220202	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Cl"	34.969402
"27786"	753.450206	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M-2H+K"	36.948606
"468441"	1111.701006	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M-2H+K"	36.948606
"839683"	395.199406	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-2H+K"	36.948606
"1564263"	395.199406	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+K-2H"	36.948606
"949959"	403.248994	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-H+HCOOH"	44.998194
"371461"	761.499801	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+HCOOH-H"	44.998201
"352063"	775.515451	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+Hac-H"	59.013851
"1500896"	417.264651	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Hac-H"	59.013851
"962972"	425.230951	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-H+NaCOOH"	66.980151
"111027"	393.220202	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+2Cl"	69.938804
"552164"	572.345602	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+2Cl"	69.938804
"1022057"	214.094802	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2Cl"	69.938804
"1242850"	437.169685	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Br"	78.918885
"1306026"	439.225672	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Cl+HCOOH"	80.974872
"1324138"	461.207629	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Cl+NaCOOH"	102.956829
"918477"	471.236386	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M-H+CF3COOH"	112.985586
"1291904"	507.213064	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Cl+CF3COOH"	148.962264
"1370065"	323.238124	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H-2H2O"	-35.012676
"1387563"	341.2481	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H-H2O"	-17.0027
"294918"	717.508876	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+H"	1.007276
"690859"	1075.759676	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+H"	1.007276
"1364781"	359.258076	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H"	1.007276
"137303"	359.258076	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+2H"	2.014552
"579417"	538.383476	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+2H"	2.014552
"1048218"	180.132676	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2H"	2.014552
"213933"	239.841142666667	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+3H"	3.021828
"655681"	359.258076	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+3H"	3.021828
"1173806"	120.424209333333	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+3H"	3.021828
"430149"	734.535423	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+NH4"	18.033823
"793699"	1092.786223	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+NH4"	18.033823
"1692216"	376.284623	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+NH4"	18.033823
"343776"	367.7713495	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+H+NH4"	19.041099
"737290"	546.8967495	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+H+NH4"	19.041099
"1487827"	188.6459495	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H+NH4"	19.041099
"404321"	739.490818	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+Na"	22.989218
"764222"	1097.741618	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+Na"	22.989218
"1610135"	381.240018	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Na"	22.989218
"324548"	370.249047	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+H+Na"	23.996494
"709315"	549.374447	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+H+Na"	23.996494
"1462167"	191.123647	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H+Na"	23.996494
"1056015"	127.751523333333	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2H+Na"	25.00377
"1260245"	391.284286	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+CH3OH+H"	33.033486
"378097"	755.464758	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+K"	38.963158
"741276"	1113.715558	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+K"	38.963158
"1540412"	397.213958	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+K"	38.963158
"302331"	378.236017	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+H+K"	39.970434
"698032"	557.361417	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+H+K"	39.970434
"1454039"	199.110617	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H+K"	39.970434
"242640"	758.535426	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+ACN+H"	42.033826
"1215346"	400.284626	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+ACN+H"	42.033826
"1201417"	200.645951	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+ACN+2H"	43.041102
"193194"	761.47276	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+2Na-H"	44.97116
"638223"	1119.72356	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+2Na-H"	44.97116
"1137356"	403.22196	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2Na-H"	44.97116
"181742"	381.240018	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+2Na"	45.978436
"617294"	560.365418	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+2Na"	45.978436
"1118978"	202.114618	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2Na"	45.978436
"1403960"	135.078837333333	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H+2Na"	46.985712
"1438265"	405.263546	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H+HCOOH"	47.012746
"234283"	386.27304	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+3H2O+2H"	56.04448
"1521491"	419.31559	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+IsoProp+H"	61.06479
"421178"	389.226988	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+Na+K"	61.952376
"783267"	568.352388	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+Na+K"	61.952376
"1679964"	210.101588	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Na+K"	61.952376
"266850"	780.517368	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+ACN+Na"	64.015768
"1240786"	422.266568	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+ACN+Na"	64.015768
"1725899"	422.290093	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+NH4+HCOOH"	64.039293
"1189795"	142.406151333333	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+3Na"	68.967654
"1662237"	427.245488	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Na+HCOOH"	68.994688
"166552"	793.42064	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+2K-H"	76.91904
"610848"	1151.67144	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+2K-H"	76.91904
"1093902"	435.16984	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2K-H"	76.91904
"151081"	397.213958	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"2M+2K"	77.926316
"593192"	576.339358	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"3M+2K"	77.926316
"1079164"	218.088558	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2K"	77.926316
"1112376"	437.184392	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2K+H"	78.933592
"1346938"	437.272007	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+DMSO+H"	79.021207
"1019113"	441.311176	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2ACN+H"	83.060376
"1535411"	442.304808	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+IsoProp+Na+H"	84.054008
"995303"	221.159226	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+2ACN+2H"	84.067652
"1590898"	443.219428	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+K+HCOOH"	84.968628
"1417652"	473.250938	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+H+CF3COOH"	115.000138
"1149032"	241.672501	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+3ACN+2H"	125.094202
"1701865"	490.277485	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+NH4+CF3COOH"	132.026685
"1636424"	495.23288	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+Na+CF3COOH"	136.98208
"1574263"	511.20682	"C15115"	"11beta-Hydroxy-6alpha11-dimethylpregn-4-ene-320-dione;11beta-Hydroxy-6alpha11-dimethylprogesterone"	"C23H34O3"	"358.2508"	"M+K+CF3COOH"	152.95602
"802564"	328.2402	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M"	0
"982536"	309.22181	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H2O-H"	-19.01839
"71874"	217.819524	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-3H"	-3.021828
"509248"	327.232924	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-3H"	-3.021828
"894345"	108.406124	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-3H"	-3.021828
"11460"	327.232924	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H"	-2.014552
"451749"	491.353024	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H"	-2.014552
"827364"	163.112824	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H"	-2.014552
"92460"	655.473124	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-H"	-1.007276
"529102"	983.713324	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-H"	-1.007276
"908728"	327.232924	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H"	-1.007276
"55811"	672.499671	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+NH4"	16.019271
"498289"	1000.739871	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+NH4"	16.019271
"876820"	344.259471	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+NH4"	16.019271
"43262"	677.455066	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+Na"	20.974666
"482822"	1005.695266	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+Na"	20.974666
"857343"	349.214866	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+Na"	20.974666
"1624686"	349.214866	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na-2H"	20.974666
"99030"	345.221263	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-H+Cl"	33.962126
"544794"	509.341363	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-H+Cl"	33.962126
"938310"	181.101163	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+Cl"	33.962126
"280513"	691.449802	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Cl"	34.969402
"672937"	1019.690002	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Cl"	34.969402
"1282058"	363.209602	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl"	34.969402
"25709"	693.429006	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+K"	36.948606
"468551"	1021.669206	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+K"	36.948606
"835419"	365.188806	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+K"	36.948606
"1561093"	365.188806	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K-2H"	36.948606
"951162"	373.238394	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+HCOOH"	44.998194
"372664"	701.478601	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+HCOOH-H"	44.998201
"353267"	715.494251	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Hac-H"	59.013851
"1499912"	387.254051	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Hac-H"	59.013851
"964175"	395.220351	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+NaCOOH"	66.980151
"110888"	363.209602	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Cl"	69.938804
"551908"	527.329702	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Cl"	69.938804
"1022166"	199.089502	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Cl"	69.938804
"1243445"	407.159085	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Br"	78.918885
"1306018"	409.215072	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+HCOOH"	80.974872
"1320842"	431.197029	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+NaCOOH"	102.956829
"913118"	441.225786	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+CF3COOH"	112.985586
"1292014"	477.202464	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+CF3COOH"	148.962264
"1371267"	293.227524	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H-2H2O"	-35.012676
"1385486"	311.2375	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H-H2O"	-17.0027
"297576"	657.487676	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H"	1.007276
"691088"	985.727876	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H"	1.007276
"1362704"	329.247476	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H"	1.007276
"134497"	329.247476	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2H"	2.014552
"572966"	493.367576	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2H"	2.014552
"1050149"	165.127376	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2H"	2.014552
"210031"	219.834076	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+3H"	3.021828
"649590"	329.247476	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+3H"	3.021828
"1168080"	110.420676	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3H"	3.021828
"425032"	674.514223	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+NH4"	18.033823
"790890"	1002.754423	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+NH4"	18.033823
"1687951"	346.274023	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4"	18.033823
"339511"	337.7607495	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+NH4"	19.041099
"733026"	501.8808495	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+NH4"	19.041099
"1482470"	173.6406495	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+NH4"	19.041099
"397870"	679.469618	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Na"	22.989218
"759957"	1007.709818	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Na"	22.989218
"1606963"	351.229418	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na"	22.989218
"317003"	340.238447	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+Na"	23.996494
"707844"	504.358547	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+Na"	23.996494
"1462520"	176.118347	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+Na"	23.996494
"1053450"	117.74799	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2H+Na"	25.00377
"1258285"	361.273686	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+CH3OH+H"	33.033486
"380025"	695.443558	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+K"	38.963158
"739319"	1023.683758	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+K"	38.963158
"1540519"	367.203358	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K"	38.963158
"299272"	348.225417	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+K"	39.970434
"692430"	512.345517	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+K"	39.970434
"1448681"	184.105317	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+K"	39.970434
"238378"	698.514226	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+ACN+H"	42.033826
"1213270"	370.274026	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+H"	42.033826
"1198247"	185.640651	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+2H"	43.041102
"190386"	701.45156	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Na-H"	44.97116
"632866"	1029.69176	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Na-H"	44.97116
"1135280"	373.21136	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Na-H"	44.97116
"176385"	351.229418	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Na"	45.978436
"614851"	515.349518	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Na"	45.978436
"1117752"	187.109318	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Na"	45.978436
"1404070"	125.075304	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+2Na"	46.985712
"1438375"	375.252946	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+HCOOH"	47.012746
"226979"	356.26244	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+3H2O+2H"	56.04448
"1512854"	389.30499	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+IsoProp+H"	61.06479
"419102"	359.216388	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Na+K"	61.952376
"781190"	523.336488	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Na+K"	61.952376
"1679708"	195.096288	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+K"	61.952376
"266228"	720.496168	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+ACN+Na"	64.015768
"1241221"	392.255968	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+Na"	64.015768
"1725279"	392.279493	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4+HCOOH"	64.039293
"1190997"	132.402618	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3Na"	68.967654
"1662347"	397.234888	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+HCOOH"	68.994688
"170668"	733.39944	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2K-H"	76.91904
"610229"	1061.63964	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2K-H"	76.91904
"1095106"	405.15924	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K-H"	76.91904
"148640"	367.203358	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2K"	77.926316
"592210"	531.323458	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2K"	77.926316
"1079638"	203.083258	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K"	77.926316
"1111757"	407.173792	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K+H"	78.933592
"1348141"	407.261407	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+DMSO+H"	79.021207
"1019222"	411.300576	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2ACN+H"	83.060376
"1534428"	412.294208	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+IsoProp+Na+H"	84.054008
"995413"	206.153926	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2ACN+2H"	84.067652
"1591008"	413.208828	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K+HCOOH"	84.968628
"1418855"	443.240338	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+CF3COOH"	115.000138
"1150236"	226.667201	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3ACN+2H"	125.094202
"1701246"	460.266885	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4+CF3COOH"	132.026685
"1635441"	465.22228	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+CF3COOH"	136.98208
"1574373"	481.19622	"C15116"	"2alpha-Methylpregn-4-ene-320-dione;2alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K+CF3COOH"	152.95602
"812394"	298.2297	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M"	0
"988116"	279.21131	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-H2O-H"	-19.01839
"78462"	197.812524	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M-3H"	-3.021828
"514826"	297.222424	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M-3H"	-3.021828
"895552"	98.402624	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-3H"	-3.021828
"15587"	297.222424	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M-2H"	-2.014552
"454778"	446.337274	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M-2H"	-2.014552
"830391"	148.107574	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-2H"	-2.014552
"92571"	595.452124	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M-H"	-1.007276
"532130"	893.681824	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M-H"	-1.007276
"910297"	297.222424	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-H"	-1.007276
"58109"	612.478671	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M-2H+NH4"	16.019271
"498035"	910.708371	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M-2H+NH4"	16.019271
"876930"	314.248971	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-2H+NH4"	16.019271
"41186"	617.434066	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M-2H+Na"	20.974666
"482932"	915.663766	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M-2H+Na"	20.974666
"856360"	319.204366	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-2H+Na"	20.974666
"1624796"	319.204366	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Na-2H"	20.974666
"96951"	315.210763	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M-H+Cl"	33.962126
"540890"	464.325613	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M-H+Cl"	33.962126
"933312"	166.095913	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-H+Cl"	33.962126
"279530"	631.428802	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+Cl"	34.969402
"671957"	929.658502	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+Cl"	34.969402
"1283265"	333.199102	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Cl"	34.969402
"28008"	633.408006	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M-2H+K"	36.948606
"468665"	931.637706	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M-2H+K"	36.948606
"842091"	335.178306	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-2H+K"	36.948606
"1567764"	335.178306	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+K-2H"	36.948606
"950179"	343.227894	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-H+HCOOH"	44.998194
"371681"	641.457601	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+HCOOH-H"	44.998201
"355564"	655.473251	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+Hac-H"	59.013851
"1505128"	357.243551	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Hac-H"	59.013851
"965379"	365.209851	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-H+NaCOOH"	66.980151
"111126"	333.199102	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+2Cl"	69.938804
"550563"	482.313952	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+2Cl"	69.938804
"1022887"	184.084252	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2Cl"	69.938804
"1247689"	377.148585	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Br"	78.918885
"1305764"	379.204572	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Cl+HCOOH"	80.974872
"1326545"	401.186529	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Cl+NaCOOH"	102.956829
"915415"	411.215286	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M-H+CF3COOH"	112.985586
"1294311"	447.191964	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Cl+CF3COOH"	148.962264
"1371378"	263.217024	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H-2H2O"	-35.012676
"1387783"	281.227	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H-H2O"	-17.0027
"298393"	597.466676	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+H"	1.007276
"691300"	895.696376	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+H"	1.007276
"1363906"	299.236976	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H"	1.007276
"135701"	299.236976	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+2H"	2.014552
"577450"	448.351826	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+2H"	2.014552
"1047346"	150.122126	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2H"	2.014552
"210871"	199.827076	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+3H"	3.021828
"652618"	299.236976	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+3H"	3.021828
"1166005"	100.417176	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+3H"	3.021828
"428546"	614.493223	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+NH4"	18.033823
"789541"	912.722923	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+NH4"	18.033823
"1690248"	316.263523	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+NH4"	18.033823
"333057"	307.7502495	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+H+NH4"	19.041099
"736052"	456.8650995	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+H+NH4"	19.041099
"1483672"	158.6353995	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H+NH4"	19.041099
"397981"	619.448618	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+Na"	22.989218
"762254"	917.678318	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+Na"	22.989218
"1610352"	321.218918	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Na"	22.989218
"320395"	310.227947	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+H+Na"	23.996494
"710628"	459.342797	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+H+Na"	23.996494
"1463114"	161.113097	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H+Na"	23.996494
"1056602"	107.74449	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2H+Na"	25.00377
"1259008"	331.263186	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+CH3OH+H"	33.033486
"380136"	635.422558	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+K"	38.963158
"742226"	933.652258	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+K"	38.963158
"1543914"	337.192858	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+K"	38.963158
"304007"	318.214917	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+H+K"	39.970434
"694241"	467.329767	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+H+K"	39.970434
"1449155"	169.100067	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H+K"	39.970434
"240675"	638.493226	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+ACN+H"	42.033826
"1214473"	340.263526	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+ACN+H"	42.033826
"1197263"	170.635401	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+ACN+2H"	43.041102
"191227"	641.43056	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+2Na-H"	44.97116
"634070"	939.66026	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+2Na-H"	44.97116
"1137575"	343.20086	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2Na-H"	44.97116
"177951"	321.218918	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+2Na"	45.978436
"616058"	470.333768	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+2Na"	45.978436
"1127949"	172.104068	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2Na"	45.978436
"1409649"	115.071804	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H+2Na"	46.985712
"1445443"	345.242446	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H+HCOOH"	47.012746
"235585"	326.25194	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+3H2O+2H"	56.04448
"1523960"	359.29449	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+IsoProp+H"	61.06479
"424176"	329.205888	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+Na+K"	61.952376
"784581"	478.320738	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+Na+K"	61.952376
"1681289"	180.091038	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Na+K"	61.952376
"265973"	660.475168	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+ACN+Na"	64.015768
"1241247"	362.245468	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+ACN+Na"	64.015768
"1725027"	362.268993	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+NH4+HCOOH"	64.039293
"1190744"	122.399118	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+3Na"	68.967654
"1657721"	367.224388	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Na+HCOOH"	68.994688
"163490"	673.37844	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+2K-H"	76.91904
"601956"	971.60814	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+2K-H"	76.91904
"1091937"	375.14874	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2K-H"	76.91904
"148756"	337.192858	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"2M+2K"	77.926316
"591590"	486.307708	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"3M+2K"	77.926316
"1079383"	188.078008	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2K"	77.926316
"1114056"	377.163292	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2K+H"	78.933592
"1349957"	377.250907	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+DMSO+H"	79.021207
"1020553"	381.290076	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2ACN+H"	83.060376
"1536000"	382.283708	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+IsoProp+Na+H"	84.054008
"996615"	191.148676	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+2ACN+2H"	84.067652
"1595491"	383.198328	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+K+HCOOH"	84.968628
"1420058"	413.229838	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+H+CF3COOH"	115.000138
"1150345"	211.661951	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+3ACN+2H"	125.094202
"1702084"	430.256385	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+NH4+CF3COOH"	132.026685
"1635915"	435.21178	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+Na+CF3COOH"	136.98208
"1575576"	451.18572	"C15117"	"3-Methyl-19-nor-17alpha-pregna-135(10)-trien-17-ol"	"C21H30O"	"298.2297"	"M+K+CF3COOH"	152.95602
"809225"	344.126	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M"	0
"987134"	325.10761	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-H2O-H"	-19.01839
"72095"	228.410057333333	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M-3H"	-3.021828
"517370"	343.118724	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M-3H"	-3.021828
"894690"	113.701390666667	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-3H"	-3.021828
"15332"	343.118724	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M-2H"	-2.014552
"451609"	515.181724	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M-2H"	-2.014552
"826495"	171.055724	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-2H"	-2.014552
"88671"	687.244724	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M-H"	-1.007276
"529324"	1031.370724	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M-H"	-1.007276
"906032"	343.118724	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-H"	-1.007276
"57126"	704.271271	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M-2H+NH4"	16.019271
"497416"	1048.397271	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M-2H+NH4"	16.019271
"874488"	360.145271	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-2H+NH4"	16.019271
"42025"	709.226666	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M-2H+Na"	20.974666
"483408"	1053.352666	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M-2H+Na"	20.974666
"860847"	365.100666	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-2H+Na"	20.974666
"1624910"	365.100666	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Na-2H"	20.974666
"98159"	361.107063	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M-H+Cl"	33.962126
"535898"	533.170063	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M-H+Cl"	33.962126
"932693"	189.044063	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-H+Cl"	33.962126
"279640"	723.221402	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+Cl"	34.969402
"674008"	1067.347402	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+Cl"	34.969402
"1287144"	379.095402	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Cl"	34.969402
"24835"	725.200606	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M-2H+K"	36.948606
"466584"	1069.326606	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M-2H+K"	36.948606
"838919"	381.074606	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-2H+K"	36.948606
"1560218"	381.074606	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+K-2H"	36.948606
"952476"	389.124194	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-H+HCOOH"	44.998194
"373977"	733.250201	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+HCOOH-H"	44.998201
"354579"	747.265851	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+Hac-H"	59.013851
"1495758"	403.139851	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Hac-H"	59.013851
"965489"	411.106151	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-H+NaCOOH"	66.980151
"111115"	379.095402	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+2Cl"	69.938804
"555049"	551.158402	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+2Cl"	69.938804
"1021904"	207.032402	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2Cl"	69.938804
"1245613"	423.044885	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Br"	78.918885
"1306967"	425.100872	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Cl+HCOOH"	80.974872
"1325562"	447.082829	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Cl+NaCOOH"	102.956829
"915525"	457.111586	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M-H+CF3COOH"	112.985586
"1294421"	493.088264	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Cl+CF3COOH"	148.962264
"1371488"	309.113324	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H-2H2O"	-35.012676
"1386800"	327.1233	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H-H2O"	-17.0027
"297427"	689.259276	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+H"	1.007276
"686566"	1033.385276	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+H"	1.007276
"1362922"	345.133276	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H"	1.007276
"134718"	345.133276	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+2H"	2.014552
"579746"	517.196276	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+2H"	2.014552
"1048548"	173.070276	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2H"	2.014552
"213167"	230.424609333333	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+3H"	3.021828
"651635"	345.133276	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+3H"	3.021828
"1165384"	115.715942666667	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+3H"	3.021828
"428659"	706.285823	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+NH4"	18.033823
"787829"	1050.411823	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+NH4"	18.033823
"1688171"	362.159823	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+NH4"	18.033823
"331344"	353.6465495	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+H+NH4"	19.041099
"736162"	525.7095495	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+H+NH4"	19.041099
"1482688"	181.5835495	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H+NH4"	19.041099
"398091"	711.241218	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+Na"	22.989218
"763456"	1055.367218	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+Na"	22.989218
"1608276"	367.115218	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Na"	22.989218
"318318"	356.124247	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+H+Na"	23.996494
"709647"	528.187247	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+H+Na"	23.996494
"1461722"	184.061247	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H+Na"	23.996494
"1054526"	123.043256666667	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2H+Na"	25.00377
"1258754"	377.159486	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+CH3OH+H"	33.033486
"378787"	727.215158	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+K"	38.963158
"740512"	1071.341158	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+K"	38.963158
"1543662"	383.089158	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+K"	38.963158
"301929"	364.111217	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+H+K"	39.970434
"695081"	536.174217	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+H+K"	39.970434
"1452181"	192.048217	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H+K"	39.970434
"239692"	730.285826	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+ACN+H"	42.033826
"1213491"	386.159826	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+ACN+H"	42.033826
"1200655"	193.583551	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+ACN+2H"	43.041102
"190244"	733.22316	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+2Na-H"	44.97116
"631994"	1077.34916	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+2Na-H"	44.97116
"1136593"	389.09716	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2Na-H"	44.97116
"175873"	367.115218	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+2Na"	45.978436
"615074"	539.178218	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+2Na"	45.978436
"1122955"	195.052218	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2Na"	45.978436
"1413041"	130.370570666667	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H+2Na"	46.985712
"1442970"	391.138746	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H+HCOOH"	47.012746
"235654"	372.14824	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+3H2O+2H"	56.04448
"1523282"	405.19079	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+IsoProp+H"	61.06479
"424162"	375.102188	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+Na+K"	61.952376
"785556"	547.165188	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+Na+K"	61.952376
"1680547"	203.039188	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Na+K"	61.952376
"267098"	752.267768	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+ACN+Na"	64.015768
"1241238"	408.141768	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+ACN+Na"	64.015768
"1722585"	408.165293	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+NH4+HCOOH"	64.039293
"1189033"	137.697884666667	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+3Na"	68.967654
"1653458"	413.120688	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Na+HCOOH"	68.994688
"164693"	765.17104	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+2K-H"	76.91904
"605350"	1109.29704	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+2K-H"	76.91904
"1085118"	421.04504	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2K-H"	76.91904
"143396"	383.089158	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"2M+2K"	77.926316
"592430"	555.152158	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"3M+2K"	77.926316
"1079860"	211.026158	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2K"	77.926316
"1114776"	423.059592	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2K+H"	78.933592
"1349826"	423.147207	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+DMSO+H"	79.021207
"1020057"	427.186376	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2ACN+H"	83.060376
"1537935"	428.180008	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+IsoProp+Na+H"	84.054008
"1001829"	214.096826	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+2ACN+2H"	84.067652
"1600341"	429.094628	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+K+HCOOH"	84.968628
"1421260"	459.126138	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+H+CF3COOH"	115.000138
"1151549"	234.610101	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+3ACN+2H"	125.094202
"1704381"	476.152685	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+NH4+CF3COOH"	132.026685
"1637844"	481.10808	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+Na+CF3COOH"	136.98208
"1572405"	497.08202	"C15118"	"23-Dihydro-2-(4-methoxyphenyl)-567-trimethoxy-4H-1-benzopyran-4-one;4567-Tetramethoxyflavanone"	"C19H20O6"	"344.126"	"M+K+CF3COOH"	152.95602
"806053"	370.3236	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M"	0
"988217"	351.30521	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-H2O-H"	-19.01839
"75485"	245.875124	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M-3H"	-3.021828
"516142"	369.316324	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M-3H"	-3.021828
"894886"	122.433924	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-3H"	-3.021828
"15203"	369.316324	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M-2H"	-2.014552
"453905"	554.478124	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M-2H"	-2.014552
"831102"	184.154524	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-2H"	-2.014552
"88781"	739.639924	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M-H"	-1.007276
"528340"	1109.963524	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M-H"	-1.007276
"903955"	369.316324	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-H"	-1.007276
"55049"	756.666471	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M-2H+NH4"	16.019271
"495702"	1126.990071	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M-2H+NH4"	16.019271
"875327"	386.342871	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-2H+NH4"	16.019271
"42864"	761.621866	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M-2H+Na"	20.974666
"484247"	1131.945466	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M-2H+Na"	20.974666
"861686"	391.298266	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-2H+Na"	20.974666
"1627207"	391.298266	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Na-2H"	20.974666
"99362"	387.304663	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M-H+Cl"	33.962126
"542204"	572.466463	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M-H+Cl"	33.962126
"935719"	202.142863	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-H+Cl"	33.962126
"279750"	775.616602	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+Cl"	34.969402
"669984"	1145.940202	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+Cl"	34.969402
"1287619"	405.293002	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Cl"	34.969402
"30053"	777.595806	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M-2H+K"	36.948606
"465600"	1147.919406	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M-2H+K"	36.948606
"836842"	407.272206	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-2H+K"	36.948606
"1559235"	407.272206	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+K-2H"	36.948606
"950400"	415.321794	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-H+HCOOH"	44.998194
"372994"	785.645401	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+HCOOH-H"	44.998201
"354690"	799.661051	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+Hac-H"	59.013851
"1502429"	429.337451	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Hac-H"	59.013851
"965599"	437.303751	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-H+NaCOOH"	66.980151
"113412"	405.293002	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+2Cl"	69.938804
"558439"	590.454802	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+2Cl"	69.938804
"1028332"	220.131202	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2Cl"	69.938804
"1247910"	449.242485	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Br"	78.918885
"1307078"	451.298472	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Cl+HCOOH"	80.974872
"1328952"	473.280429	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Cl+NaCOOH"	102.956829
"917823"	483.309186	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M-H+CF3COOH"	112.985586
"1298905"	519.285864	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Cl+CF3COOH"	148.962264
"1374878"	335.310924	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H-2H2O"	-35.012676
"1392377"	353.3209	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H-H2O"	-17.0027
"297538"	741.654476	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+H"	1.007276
"687770"	1111.978076	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+H"	1.007276
"1365949"	371.330876	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H"	1.007276
"137017"	371.330876	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+2H"	2.014552
"576577"	556.492676	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+2H"	2.014552
"1049750"	186.169076	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2H"	2.014552
"212184"	247.889676	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+3H"	3.021828
"652839"	371.330876	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+3H"	3.021828
"1165861"	124.448476	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+3H"	3.021828
"427310"	758.681023	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+NH4"	18.033823
"788305"	1129.004623	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+NH4"	18.033823
"1686097"	388.357423	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+NH4"	18.033823
"336560"	379.8441495	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+H+NH4"	19.041099
"727887"	565.0059495	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+H+NH4"	19.041099
"1481705"	194.6823495	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H+NH4"	19.041099
"399293"	763.636418	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+Na"	22.989218
"767579"	1133.960018	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+Na"	22.989218
"1609480"	393.312818	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Na"	22.989218
"317334"	382.321847	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+H+Na"	23.996494
"708664"	567.483647	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+H+Na"	23.996494
"1462485"	197.160047	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H+Na"	23.996494
"1052894"	131.77579	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2H+Na"	25.00377
"1258501"	403.357086	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+CH3OH+H"	33.033486
"377560"	779.610358	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+K"	38.963158
"741351"	1149.933958	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+K"	38.963158
"1548875"	409.286758	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+K"	38.963158
"304226"	390.308817	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+H+K"	39.970434
"698471"	575.470617	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+H+K"	39.970434
"1452292"	205.147017	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H+K"	39.970434
"240894"	782.681026	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+ACN+H"	42.033826
"1217975"	412.357426	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+ACN+H"	42.033826
"1198578"	206.682351	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+ACN+2H"	43.041102
"194729"	785.61836	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+2Na-H"	44.97116
"634294"	1155.94196	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+2Na-H"	44.97116
"1134519"	415.29476	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2Na-H"	44.97116
"177809"	393.312818	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+2Na"	45.978436
"618464"	578.474618	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+2Na"	45.978436
"1123065"	208.151018	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2Na"	45.978436
"1411692"	139.103104	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H+2Na"	46.985712
"1441990"	417.336346	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H+HCOOH"	47.012746
"234604"	398.34584	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+3H2O+2H"	56.04448
"1521572"	431.38839	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+IsoProp+H"	61.06479
"423446"	401.299788	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+Na+K"	61.952376
"785416"	586.461588	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+Na+K"	61.952376
"1680777"	216.137988	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Na+K"	61.952376
"266200"	804.662968	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+ACN+Na"	64.015768
"1241025"	434.339368	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+ACN+Na"	64.015768
"1724154"	434.362893	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+NH4+HCOOH"	64.039293
"1190968"	146.430418	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+3Na"	68.967654
"1654661"	439.318288	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Na+HCOOH"	68.994688
"166264"	817.56624	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+2K-H"	76.91904
"608741"	1187.88984	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+2K-H"	76.91904
"1088875"	447.24264	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2K-H"	76.91904
"148976"	409.286758	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"2M+2K"	77.926316
"589625"	594.448558	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"3M+2K"	77.926316
"1081793"	224.124958	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2K"	77.926316
"1115251"	449.257192	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2K+H"	78.933592
"1350300"	449.344807	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+DMSO+H"	79.021207
"1020288"	453.383976	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2ACN+H"	83.060376
"1537316"	454.377608	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+IsoProp+Na+H"	84.054008
"1002303"	227.195626	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+2ACN+2H"	84.067652
"1598630"	455.292228	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+K+HCOOH"	84.968628
"1426837"	485.323738	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+H+CF3COOH"	115.000138
"1151659"	247.708901	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+3ACN+2H"	125.094202
"1706678"	502.350285	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+NH4+CF3COOH"	132.026685
"1636861"	507.30568	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+Na+CF3COOH"	136.98208
"1573609"	523.27962	"C15119"	"B-Norcholest-4-en-3-one"	"C26H42O"	"370.3236"	"M+K+CF3COOH"	152.95602
"812725"	255.0895	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M"	0
"989059"	236.07111	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-H2O-H"	-19.01839
"75596"	169.052390666667	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M-3H"	-3.021828
"517834"	254.082224	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M-3H"	-3.021828
"894913"	84.0225573333333	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-3H"	-3.021828
"13359"	254.082224	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M-2H"	-2.014552
"451097"	381.626974	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M-2H"	-2.014552
"823431"	126.537474	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-2H"	-2.014552
"82329"	509.171724	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M-H"	-1.007276
"524076"	764.261224	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M-H"	-1.007276
"902971"	254.082224	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-H"	-1.007276
"52970"	526.198271	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M-2H+NH4"	16.019271
"491438"	781.287771	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M-2H+NH4"	16.019271
"868147"	271.108771	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-2H+NH4"	16.019271
"39326"	531.153666	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M-2H+Na"	20.974666
"475607"	786.243166	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M-2H+Na"	20.974666
"853410"	276.064166	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-2H+Na"	20.974666
"1626224"	276.064166	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Na-2H"	20.974666
"100567"	272.070563	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M-H+Cl"	33.962126
"542314"	399.615313	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M-H+Cl"	33.962126
"932915"	144.525813	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-H+Cl"	33.962126
"278767"	545.148402	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+Cl"	34.969402
"671193"	800.237902	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+Cl"	34.969402
"1284690"	290.058902	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Cl"	34.969402
"20684"	547.127606	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M-2H+K"	36.948606
"462427"	802.217106	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M-2H+K"	36.948606
"838042"	292.038106	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-2H+K"	36.948606
"1559341"	292.038106	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+K-2H"	36.948606
"946857"	300.087694	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-H+HCOOH"	44.998194
"374197"	555.177201	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+HCOOH-H"	44.998201
"356986"	569.192851	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+Hac-H"	59.013851
"1505455"	314.103351	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Hac-H"	59.013851
"971177"	322.069651	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-H+NaCOOH"	66.980151
"117896"	290.058902	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+2Cl"	69.938804
"558548"	417.603652	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+2Cl"	69.938804
"1030627"	162.514152	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2Cl"	69.938804
"1248020"	334.008385	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Br"	78.918885
"1307914"	336.064372	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Cl+HCOOH"	80.974872
"1326873"	358.046329	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Cl+NaCOOH"	102.956829
"917933"	368.075086	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M-H+CF3COOH"	112.985586
"1294639"	404.051764	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Cl+CF3COOH"	148.962264
"1370610"	220.076824	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H-2H2O"	-35.012676
"1390300"	238.0868	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H-H2O"	-17.0027
"296192"	511.186276	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+H"	1.007276
"686785"	766.275776	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+H"	1.007276
"1360957"	256.096776	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H"	1.007276
"131662"	256.096776	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+2H"	2.014552
"576322"	383.641526	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+2H"	2.014552
"1046582"	128.552026	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2H"	2.014552
"214480"	171.066942666667	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+3H"	3.021828
"649669"	256.096776	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+3H"	3.021828
"1166335"	86.0371093333333	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+3H"	3.021828
"427057"	528.212823	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+NH4"	18.033823
"790969"	783.302323	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+NH4"	18.033823
"1686203"	273.123323	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+NH4"	18.033823
"335577"	264.6100495	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+H+NH4"	19.041099
"730183"	392.1547995	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+H+NH4"	19.041099
"1481816"	137.0652995	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H+NH4"	19.041099
"399403"	533.168218	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+Na"	22.989218
"762585"	788.257718	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+Na"	22.989218
"1612871"	278.078718	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Na"	22.989218
"322906"	267.087747	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+H+Na"	23.996494
"710961"	394.632497	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+H+Na"	23.996494
"1462597"	139.542997	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H+Na"	23.996494
"1053894"	93.3644233333333	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2H+Na"	25.00377
"1260800"	288.122986	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+CH3OH+H"	33.033486
"377793"	549.142158	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+K"	38.963158
"741461"	804.231658	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+K"	38.963158
"1544975"	294.052658	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+K"	38.963158
"303972"	275.074717	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+H+K"	39.970434
"700768"	402.619467	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+H+K"	39.970434
"1454588"	147.529967	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H+K"	39.970434
"239911"	552.212826	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+ACN+H"	42.033826
"1216992"	297.123326	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+ACN+H"	42.033826
"1201969"	149.065301	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+ACN+2H"	43.041102
"193746"	555.15016	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+2Na-H"	44.97116
"635497"	810.23966	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+2Na-H"	44.97116
"1135723"	300.06066	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2Na-H"	44.97116
"185573"	278.078718	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+2Na"	45.978436
"620761"	405.623468	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+2Na"	45.978436
"1128641"	150.533968	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2Na"	45.978436
"1412896"	100.691737333333	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H+2Na"	46.985712
"1443190"	302.102246	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H+HCOOH"	47.012746
"228512"	283.11174	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+3H2O+2H"	56.04448
"1516574"	316.15429	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+IsoProp+H"	61.06479
"421001"	286.065688	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+Na+K"	61.952376
"785502"	413.610438	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+Na+K"	61.952376
"1679059"	158.520938	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Na+K"	61.952376
"267006"	574.194768	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+ACN+Na"	64.015768
"1241011"	319.105268	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+ACN+Na"	64.015768
"1723170"	319.128793	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+NH4+HCOOH"	64.039293
"1184879"	108.019051333333	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+3Na"	68.967654
"1655864"	324.084188	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Na+HCOOH"	68.994688
"162729"	587.09804	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+2K-H"	76.91904
"605571"	842.18754	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+2K-H"	76.91904
"1086799"	332.00854	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2K-H"	76.91904
"146899"	294.052658	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"2M+2K"	77.926316
"591926"	421.597408	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"3M+2K"	77.926316
"1081908"	166.507908	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2K"	77.926316
"1113293"	334.023092	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2K+H"	78.933592
"1348221"	334.110707	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+DMSO+H"	79.021207
"1017843"	338.149876	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2ACN+H"	83.060376
"1538157"	339.143508	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+IsoProp+Na+H"	84.054008
"998041"	169.578576	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+2ACN+2H"	84.067652
"1593634"	340.058128	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+K+HCOOH"	84.968628
"1425854"	370.089638	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+H+CF3COOH"	115.000138
"1149946"	190.091851	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+3ACN+2H"	125.094202
"1699497"	387.116185	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+NH4+CF3COOH"	132.026685
"1637336"	392.07158	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+Na+CF3COOH"	136.98208
"1572626"	408.04552	"C15120"	"alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid"	"C15H13NO3"	"255.0895"	"M+K+CF3COOH"	152.95602
"804450"	236.095	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M"	0
"979806"	217.07661	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H2O-H"	-19.01839
"65863"	156.389390666667	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-3H"	-3.021828
"518184"	235.087724	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-3H"	-3.021828
"895599"	77.6910573333333	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-3H"	-3.021828
"10553"	235.087724	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H"	-2.014552
"445739"	353.135224	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H"	-2.014552
"823541"	117.040224	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H"	-2.014552
"82439"	471.182724	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-H"	-1.007276
"521999"	707.277724	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-H"	-1.007276
"900894"	235.087724	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H"	-1.007276
"53080"	488.209271	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H+NH4"	16.019271
"491548"	724.304271	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H+NH4"	16.019271
"871537"	252.114271	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H+NH4"	16.019271
"39436"	493.164666	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H+Na"	20.974666
"474623"	729.259666	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H+Na"	20.974666
"855706"	257.069666	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H+Na"	20.974666
"1619772"	257.069666	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na-2H"	20.974666
"101770"	253.076063	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-H+Cl"	33.962126
"543517"	371.123563	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-H+Cl"	33.962126
"938127"	135.028563	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+Cl"	33.962126
"280699"	507.159402	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Cl"	34.969402
"673491"	743.254402	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+Cl"	34.969402
"1286987"	271.064402	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl"	34.969402
"24075"	509.138606	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M-2H+K"	36.948606
"465819"	745.233606	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M-2H+K"	36.948606
"839245"	273.043606	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-2H+K"	36.948606
"1559454"	273.043606	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K-2H"	36.948606
"946241"	281.093194	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+HCOOH"	44.998194
"373214"	517.188201	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+HCOOH-H"	44.998201
"358189"	531.203851	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Hac-H"	59.013851
"1502648"	295.108851	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Hac-H"	59.013851
"971652"	303.075151	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+NaCOOH"	66.980151
"121286"	271.064402	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2Cl"	69.938804
"555378"	389.111902	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2Cl"	69.938804
"1025269"	153.016902	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2Cl"	69.938804
"1249223"	315.013885	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Br"	78.918885
"1307297"	317.069872	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl+HCOOH"	80.974872
"1326983"	339.051829	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl+NaCOOH"	102.956829
"920229"	349.080586	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M-H+CF3COOH"	112.985586
"1295843"	385.057264	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Cl+CF3COOH"	148.962264
"1370721"	201.082324	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H-2H2O"	-35.012676
"1388221"	219.0923	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H-H2O"	-17.0027
"296300"	473.197276	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H"	1.007276
"687988"	709.292276	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H"	1.007276
"1363981"	237.102276	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H"	1.007276
"136872"	237.102276	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2H"	2.014552
"577525"	355.149776	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2H"	2.014552
"1049606"	119.054776	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2H"	2.014552
"212405"	158.403942666667	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+3H"	3.021828
"651966"	237.102276	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+3H"	3.021828
"1166444"	79.7056093333333	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+3H"	3.021828
"426436"	490.223823	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+NH4"	18.033823
"787187"	726.318823	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+NH4"	18.033823
"1683396"	254.128823	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+NH4"	18.033823
"333496"	245.6155495	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H+NH4"	19.041099
"726284"	363.6630495	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H+NH4"	19.041099
"1480831"	127.5680495	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+NH4"	19.041099
"399512"	495.179218	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Na"	22.989218
"760507"	731.274218	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+Na"	22.989218
"1609699"	259.084218	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na"	22.989218
"325200"	248.093247	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H+Na"	23.996494
"712168"	366.140747	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H+Na"	23.996494
"1465986"	130.045747	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+Na"	23.996494
"1055221"	87.0329233333333	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2H+Na"	25.00377
"1263096"	269.128486	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+CH3OH+H"	33.033486
"380576"	511.153158	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+K"	38.963158
"742665"	747.248158	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+K"	38.963158
"1545814"	275.058158	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K"	38.963158
"304083"	256.080217	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+H+K"	39.970434
"700879"	374.127717	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+H+K"	39.970434
"1456886"	138.032717	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+K"	39.970434
"241114"	514.223826	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+ACN+H"	42.033826
"1214915"	278.128826	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+ACN+H"	42.033826
"1200986"	139.568051	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+ACN+2H"	43.041102
"193858"	517.16116	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2Na-H"	44.97116
"642776"	753.25616	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2Na-H"	44.97116
"1140207"	281.06616	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2Na-H"	44.97116
"188239"	259.084218	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2Na"	45.978436
"626338"	377.131718	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2Na"	45.978436
"1130778"	141.036718	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2Na"	45.978436
"1414106"	94.3602373333333	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+2Na"	46.985712
"1445046"	283.107746	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+HCOOH"	47.012746
"229713"	264.11724	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+3H2O+2H"	56.04448
"1521793"	297.15979	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+IsoProp+H"	61.06479
"422573"	267.071188	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+Na+K"	61.952376
"780647"	385.118688	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+Na+K"	61.952376
"1679170"	149.023688	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na+K"	61.952376
"266785"	536.205768	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+ACN+Na"	64.015768
"1240916"	300.110768	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+ACN+Na"	64.015768
"1722552"	300.134293	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+NH4+HCOOH"	64.039293
"1183895"	101.687551333333	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+3Na"	68.967654
"1655976"	305.089688	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na+HCOOH"	68.994688
"161746"	549.10904	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2K-H"	76.91904
"607867"	785.20404	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2K-H"	76.91904
"1086545"	313.01404	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2K-H"	76.91904
"149925"	275.058158	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"2M+2K"	77.926316
"593858"	393.105658	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"3M+2K"	77.926316
"1081286"	157.010658	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2K"	77.926316
"1109758"	315.028592	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2K+H"	78.933592
"1349669"	315.116207	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+DMSO+H"	79.021207
"1018683"	319.155376	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2ACN+H"	83.060376
"1538756"	320.149008	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+IsoProp+Na+H"	84.054008
"999242"	160.081326	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+2ACN+2H"	84.067652
"1595933"	321.063628	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K+HCOOH"	84.968628
"1425966"	351.095138	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+H+CF3COOH"	115.000138
"1156253"	180.594601	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+3ACN+2H"	125.094202
"1698878"	368.121685	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+NH4+CF3COOH"	132.026685
"1636353"	373.07708	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+Na+CF3COOH"	136.98208
"1573829"	389.05102	"C15121"	"alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile"	"C15H12N2O"	"236.095"	"M+K+CF3COOH"	152.95602
"812945"	269.1052	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M"	0
"979919"	250.08681	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-H2O-H"	-19.01839
"75816"	178.396190666667	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M-3H"	-3.021828
"517569"	268.097924	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M-3H"	-3.021828
"894278"	88.6944573333333	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-3H"	-3.021828
"13581"	268.097924	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M-2H"	-2.014552
"453869"	402.650524	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M-2H"	-2.014552
"826932"	133.545324	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-2H"	-2.014552
"80362"	537.203124	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M-H"	-1.007276
"524297"	806.308324	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M-H"	-1.007276
"898818"	268.097924	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-H"	-1.007276
"51004"	554.229671	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M-2H+NH4"	16.019271
"496033"	823.334871	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M-2H+NH4"	16.019271
"874929"	285.124471	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-2H+NH4"	16.019271
"41735"	559.185066	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M-2H+Na"	20.974666
"482388"	828.290266	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M-2H+Na"	20.974666
"856912"	290.079866	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-2H+Na"	20.974666
"1626444"	290.079866	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Na-2H"	20.974666
"106254"	286.086263	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M-H+Cl"	33.962126
"549758"	420.638863	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M-H+Cl"	33.962126
"940427"	151.533663	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-H+Cl"	33.962126
"280080"	573.179802	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+Cl"	34.969402
"674208"	842.285002	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+Cl"	34.969402
"1287829"	304.074602	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Cl"	34.969402
"26369"	575.159006	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M-2H+K"	36.948606
"465929"	844.264206	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M-2H+K"	36.948606
"840448"	306.053806	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-2H+K"	36.948606
"1559928"	306.053806	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+K-2H"	36.948606
"948538"	314.103394	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-H+HCOOH"	44.998194
"373324"	583.208601	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+HCOOH-H"	44.998201
"355019"	597.224251	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+Hac-H"	59.013851
"1502758"	328.119051	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Hac-H"	59.013851
"972491"	336.085351	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-H+NaCOOH"	66.980151
"121396"	304.074602	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+2Cl"	69.938804
"553301"	438.627202	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+2Cl"	69.938804
"1027566"	169.522002	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2Cl"	69.938804
"1247146"	348.024085	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Br"	78.918885
"1308500"	350.080072	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Cl+HCOOH"	80.974872
"1327093"	372.062029	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Cl+NaCOOH"	102.956829
"920339"	382.090786	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M-H+CF3COOH"	112.985586
"1295953"	418.067464	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Cl+CF3COOH"	148.962264
"1371925"	234.092524	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H-2H2O"	-35.012676
"1388331"	252.1025	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H-H2O"	-17.0027
"294223"	539.217676	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+H"	1.007276
"685912"	808.322876	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+H"	1.007276
"1361174"	270.112476	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H"	1.007276
"138072"	270.112476	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+2H"	2.014552
"576899"	404.665076	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+2H"	2.014552
"1047892"	135.559876	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2H"	2.014552
"210329"	180.410742666667	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+3H"	3.021828
"649889"	270.112476	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+3H"	3.021828
"1167285"	90.7090093333334	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+3H"	3.021828
"430194"	556.244223	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+NH4"	18.033823
"786814"	825.349423	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+NH4"	18.033823
"1682411"	287.139023	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+NH4"	18.033823
"331418"	278.6257495	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+H+NH4"	19.041099
"725300"	413.1783495	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+H+NH4"	19.041099
"1479848"	144.0731495	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H+NH4"	19.041099
"394885"	561.199618	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+Na"	22.989218
"758430"	830.304818	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+Na"	22.989218
"1609810"	292.094418	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Na"	22.989218
"322031"	281.103447	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+H+Na"	23.996494
"707447"	415.656047	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+H+Na"	23.996494
"1467185"	146.550847	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H+Na"	23.996494
"1060430"	98.0363233333333	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2H+Na"	25.00377
"1263204"	302.138686	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+CH3OH+H"	33.033486
"378500"	577.173558	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+K"	38.963158
"742776"	846.278758	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+K"	38.963158
"1545924"	308.068358	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+K"	38.963158
"304193"	289.090417	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+H+K"	39.970434
"696615"	423.643017	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+H+K"	39.970434
"1450436"	154.537817	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H+K"	39.970434
"239038"	580.244226	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+ACN+H"	42.033826
"1213932"	311.139026	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+ACN+H"	42.033826
"1197814"	156.073151	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+ACN+2H"	43.041102
"193968"	583.18156	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+2Na-H"	44.97116
"636810"	852.28676	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+2Na-H"	44.97116
"1139223"	314.07636	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2Na-H"	44.97116
"177048"	292.094418	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+2Na"	45.978436
"623169"	426.647018	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+2Na"	45.978436
"1129592"	157.541818	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2Na"	45.978436
"1414017"	105.363637333333	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H+2Na"	46.985712
"1443778"	316.117946	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H+HCOOH"	47.012746
"229822"	297.12744	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+3H2O+2H"	56.04448
"1520076"	330.16999	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+IsoProp+H"	61.06479
"423411"	300.081388	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+Na+K"	61.952376
"781494"	434.633988	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+Na+K"	61.952376
"1680255"	165.528788	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Na+K"	61.952376
"264350"	602.226168	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+ACN+Na"	64.015768
"1238153"	333.120968	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+ACN+Na"	64.015768
"1720840"	333.144493	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+NH4+HCOOH"	64.039293
"1186193"	112.690951333333	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+3Na"	68.967654
"1654991"	338.099888	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Na+HCOOH"	68.994688
"161856"	615.12944	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+2K-H"	76.91904
"599350"	884.23464	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+2K-H"	76.91904
"1090302"	346.02424	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2K-H"	76.91904
"147119"	308.068358	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"2M+2K"	77.926316
"592875"	442.620958	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"3M+2K"	77.926316
"1082128"	173.515758	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2K"	77.926316
"1110597"	348.038792	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2K+H"	78.933592
"1342971"	348.126407	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+DMSO+H"	79.021207
"1014780"	352.165576	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2ACN+H"	83.060376
"1534001"	353.159208	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+IsoProp+Na+H"	84.054008
"999354"	176.586426	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+2ACN+2H"	84.067652
"1597136"	354.073828	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+K+HCOOH"	84.968628
"1422796"	384.105338	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+H+CF3COOH"	115.000138
"1153085"	197.099701	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+3ACN+2H"	125.094202
"1702635"	401.131885	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+NH4+CF3COOH"	132.026685
"1635735"	406.08728	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+Na+CF3COOH"	136.98208
"1573211"	422.06122	"C15122"	"alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid"	"C16H15NO3"	"269.1052"	"M+K+CF3COOH"	152.95602
"803213"	250.0316	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M"	0
"980029"	231.01321	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-H2O-H"	-19.01839
"66083"	165.680457333333	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M-3H"	-3.021828
"518169"	249.024324	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M-3H"	-3.021828
"893295"	82.3365906666667	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-3H"	-3.021828
"14421"	249.024324	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M-2H"	-2.014552
"452520"	374.040124	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M-2H"	-2.014552
"823761"	124.008524	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-2H"	-2.014552
"83752"	499.055924	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M-H"	-1.007276
"528782"	749.087524	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M-H"	-1.007276
"901113"	249.024324	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-H"	-1.007276
"51114"	516.082471	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M-2H+NH4"	16.019271
"493955"	766.114071	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M-2H+NH4"	16.019271
"867384"	266.050871	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-2H+NH4"	16.019271
"36378"	521.037866	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M-2H+Na"	20.974666
"480311"	771.069466	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M-2H+Na"	20.974666
"854834"	271.006266	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-2H+Na"	20.974666
"1623274"	271.006266	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Na-2H"	20.974666
"105271"	267.012663	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M-H+Cl"	33.962126
"548361"	392.028463	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M-H+Cl"	33.962126
"938350"	141.996863	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-H+Cl"	33.962126
"278733"	535.032602	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+Cl"	34.969402
"671519"	785.064202	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+Cl"	34.969402
"1288061"	285.001002	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Cl"	34.969402
"25386"	537.011806	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M-2H+K"	36.948606
"466040"	787.043406	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M-2H+K"	36.948606
"841654"	286.980206	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-2H+K"	36.948606
"1566238"	286.980206	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+K-2H"	36.948606
"948653"	295.029794	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-H+HCOOH"	44.998194
"374530"	545.061401	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+HCOOH-H"	44.998201
"359506"	559.077051	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+Hac-H"	59.013851
"1506881"	309.045451	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Hac-H"	59.013851
"962758"	317.011751	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-H+NaCOOH"	66.980151
"114946"	285.001002	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+2Cl"	69.938804
"554504"	410.016802	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+2Cl"	69.938804
"1028770"	159.985202	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2Cl"	69.938804
"1245069"	328.950485	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Br"	78.918885
"1307516"	331.006472	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Cl+HCOOH"	80.974872
"1321735"	352.988429	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Cl+NaCOOH"	102.956829
"913156"	363.017186	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M-H+CF3COOH"	112.985586
"1296063"	398.993864	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Cl+CF3COOH"	148.962264
"1378600"	215.018924	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H-2H2O"	-35.012676
"1393911"	233.0289	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H-H2O"	-17.0027
"293602"	501.070476	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+H"	1.007276
"683834"	751.102076	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+H"	1.007276
"1362376"	251.038876	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H"	1.007276
"137088"	251.038876	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+2H"	2.014552
"570813"	376.054676	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+2H"	2.014552
"1048001"	126.023076	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2H"	2.014552
"210439"	167.695009333333	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+3H"	3.021828
"651093"	251.038876	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+3H"	3.021828
"1169216"	84.3511426666667	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+3H"	3.021828
"428480"	518.097023	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+NH4"	18.033823
"788382"	768.128623	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+NH4"	18.033823
"1682523"	268.065423	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+NH4"	18.033823
"330801"	259.5521495	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+H+NH4"	19.041099
"725411"	384.5679495	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+H+NH4"	19.041099
"1478866"	134.5363495	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H+NH4"	19.041099
"397545"	523.052418	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+Na"	22.989218
"758539"	773.084018	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+Na"	22.989218
"1611013"	273.020818	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Na"	22.989218
"321048"	262.029847	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+H+Na"	23.996494
"708004"	387.045647	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+H+Na"	23.996494
"1467291"	137.014047	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H+Na"	23.996494
"1057258"	91.6784566666667	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2H+Na"	25.00377
"1266599"	283.065086	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+CH3OH+H"	33.033486
"379704"	539.026358	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+K"	38.963158
"739606"	789.057958	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+K"	38.963158
"1547127"	288.994758	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+K"	38.963158
"302116"	270.016817	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+H+K"	39.970434
"697819"	395.032617	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+H+K"	39.970434
"1451639"	145.001017	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H+K"	39.970434
"246804"	542.097026	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+ACN+H"	42.033826
"1212950"	292.065426	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+ACN+H"	42.033826
"1199021"	146.536351	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+ACN+2H"	43.041102
"196266"	545.03436	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+2Na-H"	44.97116
"633638"	795.06596	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+2Na-H"	44.97116
"1137145"	295.00276	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2Na-H"	44.97116
"176428"	273.020818	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+2Na"	45.978436
"618907"	398.036618	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+2Na"	45.978436
"1126787"	148.005018	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2Na"	45.978436
"1413475"	99.0057706666667	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H+2Na"	46.985712
"1444861"	297.044346	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H+HCOOH"	47.012746
"231759"	278.05384	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+3H2O+2H"	56.04448
"1520186"	311.09639	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+IsoProp+H"	61.06479
"423155"	281.007788	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+Na+K"	61.952376
"783061"	406.023588	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+Na+K"	61.952376
"1679030"	155.991988	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Na+K"	61.952376
"265182"	564.078968	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+ACN+Na"	64.015768
"1236437"	314.047368	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+ACN+Na"	64.015768
"1717302"	314.070893	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+NH4+HCOOH"	64.039293
"1183387"	106.333084666667	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+3Na"	68.967654
"1652187"	319.026288	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Na+HCOOH"	68.994688
"160872"	576.98224	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+2K-H"	76.91904
"599337"	827.01384	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+2K-H"	76.91904
"1088589"	326.95064	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2K-H"	76.91904
"145403"	288.994758	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"2M+2K"	77.926316
"595172"	414.010558	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"3M+2K"	77.926316
"1073485"	163.978958	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2K"	77.926316
"1112165"	328.965192	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2K+H"	78.933592
"1343081"	329.052807	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+DMSO+H"	79.021207
"1011612"	333.091976	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2ACN+H"	83.060376
"1531924"	334.085608	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+IsoProp+Na+H"	84.054008
"999464"	167.049626	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+2ACN+2H"	84.067652
"1598340"	335.000228	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+K+HCOOH"	84.968628
"1422907"	365.031738	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+H+CF3COOH"	115.000138
"1154288"	187.562901	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+3ACN+2H"	125.094202
"1701652"	382.058285	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+NH4+CF3COOH"	132.026685
"1635845"	387.01368	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+Na+CF3COOH"	136.98208
"1572957"	402.98762	"C15123"	"11-Dichloro-22-diphenylethane"	"C14H12Cl2"	"250.0316"	"M+K+CF3COOH"	152.95602
"804416"	296.1776	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M"	0
"980139"	277.15921	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-H2O-H"	-19.01839
"67286"	196.444457333333	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M-3H"	-3.021828
"516698"	295.170324	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M-3H"	-3.021828
"894499"	97.7185906666667	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-3H"	-3.021828
"14776"	295.170324	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M-2H"	-2.014552
"452630"	443.259124	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M-2H"	-2.014552
"827151"	147.081524	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-2H"	-2.014552
"89329"	591.347924	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M-H"	-1.007276
"526705"	887.525524	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M-H"	-1.007276
"900130"	295.170324	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-H"	-1.007276
"53410"	608.374471	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M-2H+NH4"	16.019271
"489691"	904.552071	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M-2H+NH4"	16.019271
"869681"	312.196871	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-2H+NH4"	16.019271
"39768"	613.329866	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M-2H+Na"	20.974666
"482244"	909.507466	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M-2H+Na"	20.974666
"851664"	317.152266	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-2H+Na"	20.974666
"1625572"	317.152266	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Na-2H"	20.974666
"109275"	313.158663	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M-H+Cl"	33.962126
"547132"	461.247463	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M-H+Cl"	33.962126
"938460"	165.069863	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-H+Cl"	33.962126
"278114"	627.324602	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+Cl"	34.969402
"670536"	923.502202	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+Cl"	34.969402
"1286223"	331.147002	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Cl"	34.969402
"30483"	629.303806	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M-2H+K"	36.948606
"463963"	925.481406	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M-2H+K"	36.948606
"840670"	333.126206	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-2H+K"	36.948606
"1557600"	333.126206	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+K-2H"	36.948606
"948763"	341.175794	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-H+HCOOH"	44.998194
"375370"	637.353401	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+HCOOH-H"	44.998201
"359615"	651.369051	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+Hac-H"	59.013851
"1505895"	355.191451	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Hac-H"	59.013851
"967243"	363.157751	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-H+NaCOOH"	66.980151
"112504"	331.147002	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+2Cl"	69.938804
"554249"	479.235802	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+2Cl"	69.938804
"1027789"	183.058202	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2Cl"	69.938804
"1244086"	375.096485	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Br"	78.918885
"1305805"	377.152472	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Cl+HCOOH"	80.974872
"1326220"	399.134429	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Cl+NaCOOH"	102.956829
"916185"	409.163186	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M-H+CF3COOH"	112.985586
"1296175"	445.139864	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Cl+CF3COOH"	148.962264
"1376524"	261.164924	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H-2H2O"	-35.012676
"1394021"	279.1749	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H-H2O"	-17.0027
"291526"	593.362476	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+H"	1.007276
"685040"	889.540076	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+H"	1.007276
"1362486"	297.184876	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H"	1.007276
"138291"	297.184876	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+2H"	2.014552
"573839"	445.273676	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+2H"	2.014552
"1048111"	149.096076	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2H"	2.014552
"211644"	198.459009333333	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+3H"	3.021828
"651203"	297.184876	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+3H"	3.021828
"1169326"	99.7331426666667	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+3H"	3.021828
"430412"	610.389023	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+NH4"	18.033823
"788128"	906.566623	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+NH4"	18.033823
"1684456"	314.211423	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+NH4"	18.033823
"332004"	305.6981495	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+H+NH4"	19.041099
"726611"	453.7869495	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+H+NH4"	19.041099
"1483348"	157.6093495	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H+NH4"	19.041099
"398748"	615.344418	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+Na"	22.989218
"759746"	911.522018	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+Na"	22.989218
"1613312"	319.166818	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Na"	22.989218
"325531"	308.175847	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+H+Na"	23.996494
"709208"	456.264647	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+H+Na"	23.996494
"1468494"	160.087047	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H+Na"	23.996494
"1059555"	107.060456666667	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2H+Na"	25.00377
"1264514"	329.211086	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+CH3OH+H"	33.033486
"378721"	631.318358	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+K"	38.963158
"741176"	927.495958	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+K"	38.963158
"1543957"	335.140758	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+K"	38.963158
"304413"	316.162817	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+H+K"	39.970434
"695742"	464.251617	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+H+K"	39.970434
"1449565"	168.074017	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H+K"	39.970434
"241446"	634.389026	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+ACN+H"	42.033826
"1210874"	338.211426	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+ACN+H"	42.033826
"1198038"	169.609351	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+ACN+2H"	43.041102
"193096"	637.32636	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+2Na-H"	44.97116
"631563"	933.50396	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+2Na-H"	44.97116
"1136165"	341.14876	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2Na-H"	44.97116
"175446"	319.166818	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+2Na"	45.978436
"616831"	467.255618	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+2Na"	45.978436
"1129329"	171.078018	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2Na"	45.978436
"1412488"	114.387770666667	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H+2Na"	46.985712
"1441444"	343.190346	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H+HCOOH"	47.012746
"233451"	324.19984	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+3H2O+2H"	56.04448
"1520296"	357.24239	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+IsoProp+H"	61.06479
"422540"	327.153788	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+Na+K"	61.952376
"782444"	475.242588	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+Na+K"	61.952376
"1679867"	179.064988	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Na+K"	61.952376
"264565"	656.370968	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+ACN+Na"	64.015768
"1236545"	360.193368	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+ACN+Na"	64.015768
"1719967"	360.216893	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+NH4+HCOOH"	64.039293
"1183134"	121.715084666667	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+3Na"	68.967654
"1655213"	365.172288	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Na+HCOOH"	68.994688
"159889"	669.27424	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+2K-H"	76.91904
"598354"	965.45184	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+2K-H"	76.91904
"1088335"	373.09664	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2K-H"	76.91904
"143691"	335.140758	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"2M+2K"	77.926316
"593459"	483.229558	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"3M+2K"	77.926316
"1071410"	187.051958	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2K"	77.926316
"1113247"	375.111192	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2K+H"	78.933592
"1344286"	375.198807	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+DMSO+H"	79.021207
"1013908"	379.237976	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2ACN+H"	83.060376
"1533126"	380.231608	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+IsoProp+Na+H"	84.054008
"1002855"	190.122626	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+2ACN+2H"	84.067652
"1599544"	381.146228	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+K+HCOOH"	84.968628
"1427389"	411.177738	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+H+CF3COOH"	115.000138
"1153304"	210.635901	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+3ACN+2H"	125.094202
"1708321"	428.204285	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+NH4+CF3COOH"	132.026685
"1634860"	433.15968	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+Na+CF3COOH"	136.98208
"1573067"	449.13362	"C15124"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17a-one"	"C20H24O2"	"296.1776"	"M+K+CF3COOH"	152.95602
"806713"	203.1674	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M"	0
"980249"	184.14901	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-H2O-H"	-19.01839
"66304"	134.437657333333	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M-3H"	-3.021828
"516809"	202.160124	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M-3H"	-3.021828
"892423"	66.7151906666667	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-3H"	-3.021828
"13183"	202.160124	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M-2H"	-2.014552
"452742"	303.743824	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M-2H"	-2.014552
"825077"	100.576424	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-2H"	-2.014552
"86162"	405.327524	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M-H"	-1.007276
"526814"	608.494924	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M-H"	-1.007276
"900241"	202.160124	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-H"	-1.007276
"48904"	422.354071	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M-2H+NH4"	16.019271
"497458"	625.521471	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M-2H+NH4"	16.019271
"871980"	219.186671	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-2H+NH4"	16.019271
"39879"	427.309466	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M-2H+Na"	20.974666
"480533"	630.476866	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M-2H+Na"	20.974666
"852867"	224.142066	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-2H+Na"	20.974666
"1626775"	224.142066	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Na-2H"	20.974666
"108772"	220.148463	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M-H+Cl"	33.962126
"548214"	321.732163	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M-H+Cl"	33.962126
"938570"	118.564763	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-H+Cl"	33.962126
"279317"	441.304202	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+Cl"	34.969402
"674783"	644.471602	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+Cl"	34.969402
"1286702"	238.136802	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Cl"	34.969402
"30110"	443.283406	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M-2H+K"	36.948606
"470274"	646.450806	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M-2H+K"	36.948606
"841875"	240.116006	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-2H+K"	36.948606
"1560990"	240.116006	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+K-2H"	36.948606
"951060"	248.165594	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-H+HCOOH"	44.998194
"373657"	451.333001	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+HCOOH-H"	44.998201
"358271"	465.348651	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+Hac-H"	59.013851
"1504186"	262.181251	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Hac-H"	59.013851
"970633"	270.147551	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-H+NaCOOH"	66.980151
"116260"	238.136802	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+2Cl"	69.938804
"559100"	339.720502	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+2Cl"	69.938804
"1027899"	136.553102	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2Cl"	69.938804
"1243832"	282.086285	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Br"	78.918885
"1307740"	284.142272	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Cl+HCOOH"	80.974872
"1326330"	306.124229	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Cl+NaCOOH"	102.956829
"917390"	316.152986	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M-H+CF3COOH"	112.985586
"1295194"	352.129664	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Cl+CF3COOH"	148.962264
"1372261"	168.154724	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H-2H2O"	-35.012676
"1397413"	186.1647	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H-H2O"	-17.0027
"287263"	407.342076	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+H"	1.007276
"681870"	610.509476	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+H"	1.007276
"1360409"	204.174676	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H"	1.007276
"135485"	204.174676	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+2H"	2.014552
"575043"	305.758376	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+2H"	2.014552
"1049314"	102.590976	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2H"	2.014552
"211754"	136.452209333333	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+3H"	3.021828
"656781"	204.174676	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+3H"	3.021828
"1170529"	68.7297426666667	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+3H"	3.021828
"433802"	424.368623	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+NH4"	18.033823
"792610"	627.536023	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+NH4"	18.033823
"1690035"	221.201223	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+NH4"	18.033823
"336123"	212.6879495	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+H+NH4"	19.041099
"726359"	314.2716495	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+H+NH4"	19.041099
"1487836"	111.1042495	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H+NH4"	19.041099
"404330"	429.324018	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+Na"	22.989218
"765325"	632.491418	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+Na"	22.989218
"1614516"	226.156618	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Na"	22.989218
"325643"	215.165647	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+H+Na"	23.996494
"715876"	316.749347	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+H+Na"	23.996494
"1467510"	113.581947	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H+Na"	23.996494
"1060759"	76.0570566666667	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2H+Na"	25.00377
"1259524"	236.200886	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+CH3OH+H"	33.033486
"378832"	445.297958	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+K"	38.963158
"741286"	648.465358	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+K"	38.963158
"1540785"	242.130558	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+K"	38.963158
"299179"	223.152617	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+H+K"	39.970434
"693666"	324.736317	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+H+K"	39.970434
"1448947"	121.568917	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H+K"	39.970434
"241556"	448.368626	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+ACN+H"	42.033826
"1212078"	245.201226	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+ACN+H"	42.033826
"1197420"	123.104251	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+ACN+2H"	43.041102
"193208"	451.30596	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+2Na-H"	44.97116
"631676"	654.47336	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+2Na-H"	44.97116
"1135912"	248.13856	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2Na-H"	44.97116
"177744"	226.156618	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+2Na"	45.978436
"624598"	327.740318	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+2Na"	45.978436
"1123728"	124.572918	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2Na"	45.978436
"1410532"	83.3843706666667	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H+2Na"	46.985712
"1443984"	250.180146	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H+HCOOH"	47.012746
"234536"	231.18964	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+3H2O+2H"	56.04448
"1522358"	264.23219	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+IsoProp+H"	61.06479
"421193"	234.143588	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+Na+K"	61.952376
"783644"	335.727288	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+Na+K"	61.952376
"1679248"	132.559888	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Na+K"	61.952376
"264674"	470.350568	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+ACN+Na"	64.015768
"1233378"	267.183168	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+ACN+Na"	64.015768
"1717890"	267.206693	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+NH4+HCOOH"	64.039293
"1179963"	90.7116846666667	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+3Na"	68.967654
"1654230"	272.162088	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Na+HCOOH"	68.994688
"161090"	483.25384	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+2K-H"	76.91904
"597450"	686.42124	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+2K-H"	76.91904
"1085040"	280.08644	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2K-H"	76.91904
"144166"	242.130558	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"2M+2K"	77.926316
"593570"	343.714258	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"3M+2K"	77.926316
"1073706"	140.546858	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2K"	77.926316
"1101447"	282.100992	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2K+H"	78.933592
"1337833"	282.188607	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+DMSO+H"	79.021207
"1009643"	286.227776	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2ACN+H"	83.060376
"1536519"	287.221408	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+IsoProp+Na+H"	84.054008
"1001871"	143.617526	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+2ACN+2H"	84.067652
"1595283"	288.136028	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+K+HCOOH"	84.968628
"1423125"	318.167538	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+H+CF3COOH"	115.000138
"1154508"	164.130801	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+3ACN+2H"	125.094202
"1702965"	335.194085	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+NH4+CF3COOH"	132.026685
"1635334"	340.14948	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+Na+CF3COOH"	136.98208
"1571595"	356.12342	"C15125"	"N-(Cyclohexylmethyl)-N-methylbenzenamine;N-Methyl-N-phenylcyclohexanemethylamine"	"C14H21N"	"203.1674"	"M+K+CF3COOH"	152.95602
"803543"	316.2038	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M"	0
"980359"	297.18541	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"65320"	209.795257333333	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"517404"	315.196524	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"894719"	104.393990666667	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"6733"	315.196524	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"442282"	473.298424	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"828468"	157.094624	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"88460"	631.400324	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"533001"	947.604124	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"904728"	315.196524	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"53999"	648.426871	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"496476"	964.630671	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"875369"	332.223071	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"36709"	653.382266	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"477362"	969.586066	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"851884"	337.178466	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1625792"	337.178466	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"109576"	333.184863	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"547352"	491.286763	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"937587"	175.082963	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"281493"	667.377002	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"675256"	983.580802	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1287539"	351.173202	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"30219"	669.356206	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"467467"	985.560006	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"843081"	353.152406	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1560007"	353.152406	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"951170"	361.201994	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"370480"	677.405801	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
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"1505390"	375.217651	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"970744"	383.183951	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"118558"	351.173202	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"557024"	509.275102	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1031289"	193.071302	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1244309"	395.122685	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1310037"	397.178672	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1324254"	419.160629	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"917502"	429.189386	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1298584"	465.166064	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1372371"	281.191124	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1394974"	299.2011	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"287739"	633.414876	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"679795"	949.618676	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1357239"	317.211076	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"131221"	317.211076	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"568594"	475.312976	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1046140"	159.109176	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"214042"	211.809809333333	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"652514"	317.211076	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1175012"	106.408542666667	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"436098"	650.441423	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"797094"	966.645223	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1689052"	334.237623	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"335141"	325.7243495	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"730843"	483.8262495	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1486851"	167.6224495	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"401158"	655.396818	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"754738"	971.600618	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1613534"	339.193018	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"324660"	328.202047	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"714895"	486.303947	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1464341"	170.100147	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1058683"	113.735856666667	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1259634"	349.237286	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"383316"	671.370758	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"740666"	987.574558	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1541988"	355.166958	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"299892"	336.189017	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"693411"	494.290917	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1453065"	178.087117	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"238386"	674.441426	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1216566"	358.237626	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1201544"	179.622451	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"194415"	677.37876	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"635071"	993.58256	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1144044"	361.17496	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"186607"	339.193018	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"626169"	497.294918	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1129798"	181.091118	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1412226"	121.063170666667	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1444710"	363.216546	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"233192"	344.22604	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1522590"	377.26859	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"423005"	347.179988	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"783394"	505.281888	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1680695"	189.078088	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"265027"	696.423368	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1238956"	380.219568	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1721280"	380.243093	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1181166"	128.390484666667	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1656527"	385.198488	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"160108"	709.32664	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"600762"	1025.53044	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1085273"	393.12284	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"145368"	355.166958	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"596476"	513.268858	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1074912"	197.065058	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1100948"	395.137392	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1340129"	395.225007	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1007566"	399.264176	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1527877"	400.257808	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"995420"	200.135726	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1592110"	401.172428	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1419956"	431.203938	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
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"1699429"	448.230485	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1636904"	453.18588	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1571463"	469.15982	"C15126"	"217beta-Dihydroxy-17-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
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"987027"	313.19681	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-H2O-H"	-19.01839
"75270"	220.469524	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M-3H"	-3.021828
"513740"	331.207924	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M-3H"	-3.021828
"895193"	109.731124	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-3H"	-3.021828
"14496"	331.207924	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M-2H"	-2.014552
"449683"	497.315524	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M-2H"	-2.014552
"829671"	165.100324	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-2H"	-2.014552
"90756"	663.423124	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M-H"	-1.007276
"532138"	995.638324	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M-H"	-1.007276
"910305"	331.207924	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-H"	-1.007276
"54109"	680.449671	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M-2H+NH4"	16.019271
"498771"	1012.664871	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M-2H+NH4"	16.019271
"877666"	348.234471	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-2H+NH4"	16.019271
"40099"	685.405066	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M-2H+Na"	20.974666
"480752"	1017.620266	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M-2H+Na"	20.974666
"851994"	353.189866	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-2H+Na"	20.974666
"1625902"	353.189866	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Na-2H"	20.974666
"99151"	349.196263	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M-H+Cl"	33.962126
"544178"	515.303863	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M-H+Cl"	33.962126
"935507"	183.088663	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-H+Cl"	33.962126
"277346"	699.399802	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+Cl"	34.969402
"675615"	1031.615002	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+Cl"	34.969402
"1288329"	367.184602	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Cl"	34.969402
"31100"	701.379006	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M-2H+K"	36.948606
"467577"	1033.594206	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M-2H+K"	36.948606
"843191"	369.163806	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-2H+K"	36.948606
"1563397"	369.163806	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+K-2H"	36.948606
"951280"	377.213394	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-H+HCOOH"	44.998194
"370590"	709.428601	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+HCOOH-H"	44.998201
"359585"	723.444251	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+Hac-H"	59.013851
"1507203"	391.229051	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Hac-H"	59.013851
"970854"	399.195351	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-H+NaCOOH"	66.980151
"119761"	367.184602	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+2Cl"	69.938804
"560414"	533.292202	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+2Cl"	69.938804
"1034315"	201.077002	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2Cl"	69.938804
"1247699"	411.134085	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Br"	78.918885
"1310147"	413.190072	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Cl+HCOOH"	80.974872
"1324364"	435.172029	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Cl+NaCOOH"	102.956829
"918705"	445.200786	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M-H+CF3COOH"	112.985586
"1298694"	481.177464	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Cl+CF3COOH"	148.962264
"1371388"	297.202524	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H-2H2O"	-35.012676
"1398124"	315.2125	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H-H2O"	-17.0027
"290764"	665.437676	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+H"	1.007276
"682090"	997.652876	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+H"	1.007276
"1360629"	333.222476	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H"	1.007276
"133517"	333.222476	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+2H"	2.014552
"571983"	499.330076	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+2H"	2.014552
"1047342"	167.114876	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2H"	2.014552
"216338"	222.484076	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+3H"	3.021828
"652625"	333.222476	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+3H"	3.021828
"1176215"	111.745676	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+3H"	3.021828
"438029"	682.464223	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+NH4"	18.033823
"798297"	1014.679423	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+NH4"	18.033823
"1691348"	350.249023	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+NH4"	18.033823
"337438"	341.7357495	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+H+NH4"	19.041099
"735326"	507.8433495	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+H+NH4"	19.041099
"1489150"	175.6281495	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H+NH4"	19.041099
"402363"	687.419618	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+Na"	22.989218
"758981"	1019.634818	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+Na"	22.989218
"1613644"	355.204418	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Na"	22.989218
"326595"	344.213447	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+H+Na"	23.996494
"718284"	510.321047	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+H+Na"	23.996494
"1471011"	178.105847	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H+Na"	23.996494
"1062073"	119.07299	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2H+Na"	25.00377
"1262660"	365.248686	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+CH3OH+H"	33.033486
"383426"	703.393558	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+K"	38.963158
"738596"	1035.608758	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+K"	38.963158
"1541733"	371.178358	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+K"	38.963158
"301098"	352.200417	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+H+K"	39.970434
"694615"	518.308017	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+H+K"	39.970434
"1452082"	186.092817	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H+K"	39.970434
"243964"	706.464226	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+ACN+H"	42.033826
"1216676"	374.249026	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+ACN+H"	42.033826
"1202747"	187.628151	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+ACN+2H"	43.041102
"197805"	709.40156	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+2Na-H"	44.97116
"636274"	1041.61676	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+2Na-H"	44.97116
"1144154"	377.18636	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2Na-H"	44.97116
"187810"	355.204418	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+2Na"	45.978436
"624821"	521.312018	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+2Na"	45.978436
"1130393"	189.096818	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2Na"	45.978436
"1412578"	126.400304	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H+2Na"	46.985712
"1444817"	379.227946	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H+HCOOH"	47.012746
"235000"	360.23744	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+3H2O+2H"	56.04448
"1522819"	393.27999	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+IsoProp+H"	61.06479
"423478"	363.191388	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+Na+K"	61.952376
"785084"	529.298988	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+Na+K"	61.952376
"1680441"	197.083788	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Na+K"	61.952376
"266233"	728.446168	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+ACN+Na"	64.015768
"1237973"	396.230968	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+ACN+Na"	64.015768
"1721391"	396.254493	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+NH4+HCOOH"	64.039293
"1184557"	133.727618	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+3Na"	68.967654
"1655545"	401.209888	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Na+HCOOH"	68.994688
"161676"	741.34944	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+2K-H"	76.91904
"600872"	1073.56464	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+2K-H"	76.91904
"1087570"	409.13424	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2K-H"	76.91904
"145480"	371.178358	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"2M+2K"	77.926316
"596227"	537.285958	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"3M+2K"	77.926316
"1077210"	205.070758	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2K"	77.926316
"1103855"	411.148792	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2K+H"	78.933592
"1345708"	411.236407	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+DMSO+H"	79.021207
"1010956"	415.275576	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2ACN+H"	83.060376
"1530175"	416.269208	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+IsoProp+Na+H"	84.054008
"999903"	208.141426	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+2ACN+2H"	84.067652
"1596593"	417.183828	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+K+HCOOH"	84.968628
"1421159"	447.215338	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+H+CF3COOH"	115.000138
"1154728"	228.654701	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+3ACN+2H"	125.094202
"1702092"	464.241885	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+NH4+CF3COOH"	132.026685
"1635921"	469.19728	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+Na+CF3COOH"	136.98208
"1572055"	485.17122	"C15127"	"6alpha-Fluoropregn-4-ene-320-dione;6alpha-Fluoroprogesterone"	"C21H29FO2"	"332.2152"	"M+K+CF3COOH"	152.95602
"810324"	363.2562	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M"	0
"982765"	344.23781	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-H2O-H"	-19.01839
"69914"	241.163524	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M-3H"	-3.021828
"512757"	362.248924	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M-3H"	-3.021828
"894938"	120.078124	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-3H"	-3.021828
"13515"	362.248924	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M-2H"	-2.014552
"452709"	543.877024	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M-2H"	-2.014552
"829781"	180.620824	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-2H"	-2.014552
"91960"	725.505124	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M-H"	-1.007276
"532491"	1088.761324	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M-H"	-1.007276
"910172"	362.248924	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-H"	-1.007276
"53855"	742.531671	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M-2H+NH4"	16.019271
"499976"	1105.787871	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M-2H+NH4"	16.019271
"876683"	379.275471	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-2H+NH4"	16.019271
"39116"	747.487066	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M-2H+Na"	20.974666
"480862"	1110.743266	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M-2H+Na"	20.974666
"852104"	384.230866	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-2H+Na"	20.974666
"1631116"	384.230866	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Na-2H"	20.974666
"105822"	380.237263	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M-H+Cl"	33.962126
"543195"	561.865363	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M-H+Cl"	33.962126
"930151"	198.609163	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-H+Cl"	33.962126
"282732"	761.481802	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+Cl"	34.969402
"674985"	1124.738002	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+Cl"	34.969402
"1286670"	398.225602	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Cl"	34.969402
"30194"	763.461006	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M-2H+K"	36.948606
"468056"	1126.717206	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M-2H+K"	36.948606
"847071"	400.204806	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-2H+K"	36.948606
"1563510"	400.204806	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+K-2H"	36.948606
"951393"	408.254394	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-H+HCOOH"	44.998194
"372167"	771.510601	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+HCOOH-H"	44.998201
"357506"	785.526251	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+Hac-H"	59.013851
"1501237"	422.270051	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Hac-H"	59.013851
"970235"	430.236351	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-H+NaCOOH"	66.980151
"116592"	398.225602	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+2Cl"	69.938804
"552505"	579.853702	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+2Cl"	69.938804
"1027137"	216.597502	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2Cl"	69.938804
"1247810"	442.175085	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Br"	78.918885
"1308071"	444.231072	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Cl+HCOOH"	80.974872
"1328850"	466.213029	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Cl+NaCOOH"	102.956829
"917721"	476.241786	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M-H+CF3COOH"	112.985586
"1299540"	512.218464	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Cl+CF3COOH"	148.962264
"1379886"	328.243524	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H-2H2O"	-35.012676
"1392282"	346.2535	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H-H2O"	-17.0027
"290875"	727.519676	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+H"	1.007276
"684389"	1090.775876	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+H"	1.007276
"1360739"	364.263476	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H"	1.007276
"133628"	364.263476	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+2H"	2.014552
"572093"	545.891576	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+2H"	2.014552
"1045270"	182.635376	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2H"	2.014552
"213171"	243.178076	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+3H"	3.021828
"650549"	364.263476	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+3H"	3.021828
"1174139"	122.092676	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+3H"	3.021828
"436320"	744.546223	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+NH4"	18.033823
"796220"	1107.802423	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+NH4"	18.033823
"1687085"	381.290023	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+NH4"	18.033823
"335363"	372.7767495	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+H+NH4"	19.041099
"734343"	554.4048495	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+H+NH4"	19.041099
"1484887"	191.1486495	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H+NH4"	19.041099
"401375"	749.501618	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+Na"	22.989218
"764196"	1112.757818	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+Na"	22.989218
"1613754"	386.245418	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Na"	22.989218
"325974"	375.254447	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+H+Na"	23.996494
"719486"	556.882547	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+H+Na"	23.996494
"1465655"	193.626347	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H+Na"	23.996494
"1058903"	129.41999	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2H+Na"	25.00377
"1260947"	396.289686	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+CH3OH+H"	33.033486
"384630"	765.475558	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+K"	38.963158
"744532"	1128.731758	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+K"	38.963158
"1541482"	402.219358	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+K"	38.963158
"299386"	383.241417	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+H+K"	39.970434
"694726"	564.869517	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+H+K"	39.970434
"1452194"	201.613317	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H+K"	39.970434
"241887"	768.546226	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+ACN+H"	42.033826
"1221164"	405.290026	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+ACN+H"	42.033826
"1201766"	203.148651	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+ACN+2H"	43.041102
"194636"	771.48356	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+2Na-H"	44.97116
"641490"	1134.73976	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+2Na-H"	44.97116
"1143904"	408.22736	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2Na-H"	44.97116
"187195"	386.245418	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+2Na"	45.978436
"624932"	567.873518	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+2Na"	45.978436
"1128435"	204.617318	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2Na"	45.978436
"1412688"	136.747304	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H+2Na"	46.985712
"1445051"	410.268946	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H+HCOOH"	47.012746
"234745"	391.27844	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+3H2O+2H"	56.04448
"1521837"	424.32099	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+IsoProp+H"	61.06479
"422618"	394.232388	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+Na+K"	61.952376
"784585"	575.860488	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+Na+K"	61.952376
"1677396"	212.604288	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Na+K"	61.952376
"264282"	790.528168	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+ACN+Na"	64.015768
"1236991"	427.271968	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+ACN+Na"	64.015768
"1723690"	427.295493	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+NH4+HCOOH"	64.039293
"1182845"	144.074618	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+3Na"	68.967654
"1654563"	432.250888	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Na+HCOOH"	68.994688
"162515"	803.43144	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+2K-H"	76.91904
"600616"	1166.68764	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+2K-H"	76.91904
"1088773"	440.17524	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2K-H"	76.91904
"148870"	402.219358	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"2M+2K"	77.926316
"589524"	583.847458	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"3M+2K"	77.926316
"1072944"	220.591258	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2K"	77.926316
"1103964"	442.189792	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2K+H"	78.933592
"1338891"	442.277407	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+DMSO+H"	79.021207
"1009974"	446.316576	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2ACN+H"	83.060376
"1529193"	447.310208	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+IsoProp+Na+H"	84.054008
"1002200"	223.661926	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+2ACN+2H"	84.067652
"1598890"	448.224828	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+K+HCOOH"	84.968628
"1422365"	478.256338	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+H+CF3COOH"	115.000138
"1152651"	244.175201	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+3ACN+2H"	125.094202
"1703299"	495.282885	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+NH4+CF3COOH"	132.026685
"1636759"	500.23828	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+Na+CF3COOH"	136.98208
"1571804"	516.21222	"C15128"	"1H-5alpha-Androst-2-eno32-bindol-17beta-ol"	"C25H33NO"	"363.2562"	"M+K+CF3COOH"	152.95602
"810434"	272.1776	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M"	0
"985062"	253.15921	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-H2O-H"	-19.01839
"70024"	180.444457333333	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M-3H"	-3.021828
"513960"	271.170324	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M-3H"	-3.021828
"894800"	89.7185906666667	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-3H"	-3.021828
"13868"	271.170324	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M-2H"	-2.014552
"454399"	407.259124	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M-2H"	-2.014552
"831837"	135.081524	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-2H"	-2.014552
"92800"	543.347924	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M-H"	-1.007276
"532238"	815.525524	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M-H"	-1.007276
"908216"	271.170324	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-H"	-1.007276
"58340"	560.374471	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M-2H+NH4"	16.019271
"494619"	832.552071	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M-2H+NH4"	16.019271
"877890"	288.196871	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-2H+NH4"	16.019271
"42506"	565.329866	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M-2H+Na"	20.974666
"480972"	837.507466	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M-2H+Na"	20.974666
"852942"	293.152266	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-2H+Na"	20.974666
"1629402"	293.152266	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Na-2H"	20.974666
"99371"	289.158663	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M-H+Cl"	33.962126
"543305"	425.247463	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M-H+Cl"	33.962126
"931354"	153.069863	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-H+Cl"	33.962126
"280850"	579.324602	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+Cl"	34.969402
"673272"	851.502202	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+Cl"	34.969402
"1286413"	307.147002	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Cl"	34.969402
"29327"	581.303806	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M-2H+K"	36.948606
"468887"	853.481406	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M-2H+K"	36.948606
"845599"	309.126206	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-2H+K"	36.948606
"1567996"	309.126206	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+K-2H"	36.948606
"954785"	317.175794	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-H+HCOOH"	44.998194
"371915"	589.353401	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+HCOOH-H"	44.998201
"359438"	603.369051	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+Hac-H"	59.013851
"1500254"	331.191451	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Hac-H"	59.013851
"965609"	339.157751	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-H+NaCOOH"	66.980151
"112326"	307.147002	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+2Cl"	69.938804
"554073"	443.235802	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+2Cl"	69.938804
"1023967"	171.058202	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2Cl"	69.938804
"1241560"	351.096485	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Br"	78.918885
"1308181"	353.152472	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Cl+HCOOH"	80.974872
"1324586"	375.134429	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Cl+NaCOOH"	102.956829
"914552"	385.163186	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M-H+CF3COOH"	112.985586
"1302927"	421.139864	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Cl+CF3COOH"	148.962264
"1381089"	237.164924	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H-2H2O"	-35.012676
"1392392"	255.1749	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H-H2O"	-17.0027
"292080"	545.362476	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+H"	1.007276
"685595"	817.540076	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+H"	1.007276
"1359756"	273.184876	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H"	1.007276
"132644"	273.184876	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+2H"	2.014552
"572203"	409.273676	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+2H"	2.014552
"1047568"	137.096076	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2H"	2.014552
"212187"	182.459009333333	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+3H"	3.021828
"657945"	273.184876	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+3H"	3.021828
"1173156"	91.7331426666667	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+3H"	3.021828
"437521"	562.389023	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+NH4"	18.033823
"799611"	834.566623	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+NH4"	18.033823
"1689382"	290.211423	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+NH4"	18.033823
"338755"	281.6981495	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+H+NH4"	19.041099
"732266"	417.7869495	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+H+NH4"	19.041099
"1489004"	145.6093495	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H+NH4"	19.041099
"402578"	567.344418	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+Na"	22.989218
"763575"	839.522018	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+Na"	22.989218
"1613863"	295.166818	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Na"	22.989218
"326082"	284.175847	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+H+Na"	23.996494
"714129"	420.264647	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+H+Na"	23.996494
"1469046"	148.087047	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H+Na"	23.996494
"1063387"	99.0604566666667	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2H+Na"	25.00377
"1262151"	305.211086	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+CH3OH+H"	33.033486
"389114"	583.318358	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+K"	38.963158
"746830"	855.495958	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+K"	38.963158
"1543416"	311.140758	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+K"	38.963158
"302051"	292.162817	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+H+K"	39.970434
"695565"	428.251617	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+H+K"	39.970434
"1454492"	156.074017	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H+K"	39.970434
"240906"	586.389026	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+ACN+H"	42.033826
"1222367"	314.211426	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+ACN+H"	42.033826
"1205157"	157.609351	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+ACN+2H"	43.041102
"196934"	589.32636	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+2Na-H"	44.97116
"641240"	861.50396	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+2Na-H"	44.97116
"1143287"	317.14876	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2Na-H"	44.97116
"186577"	295.166818	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+2Na"	45.978436
"626502"	431.255618	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+2Na"	45.978436
"1129641"	159.078018	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2Na"	45.978436
"1413852"	106.387770666667	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H+2Na"	46.985712
"1443822"	319.190346	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H+HCOOH"	47.012746
"234247"	300.19984	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+3H2O+2H"	56.04448
"1519761"	333.24239	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+H"	61.06479
"421634"	303.153788	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+Na+K"	61.952376
"785305"	439.242588	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+Na+K"	61.952376
"1680057"	167.064988	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Na+K"	61.952376
"265848"	608.370968	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+ACN+Na"	64.015768
"1237830"	336.193368	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+ACN+Na"	64.015768
"1724894"	336.216893	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+NH4+HCOOH"	64.039293
"1186965"	113.715084666667	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+3Na"	68.967654
"1657952"	341.172288	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Na+HCOOH"	68.994688
"164812"	621.27424	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+2K-H"	76.91904
"601091"	893.45184	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+2K-H"	76.91904
"1089979"	349.09664	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2K-H"	76.91904
"147889"	311.140758	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"2M+2K"	77.926316
"589634"	447.229558	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"3M+2K"	77.926316
"1073054"	175.051958	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2K"	77.926316
"1107355"	351.111192	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2K+H"	78.933592
"1339730"	351.198807	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+DMSO+H"	79.021207
"1012271"	355.237976	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2ACN+H"	83.060376
"1531490"	356.231608	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+Na+H"	84.054008
"1002310"	178.122626	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+2ACN+2H"	84.067652
"1598636"	357.146228	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+K+HCOOH"	84.968628
"1423568"	387.177738	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+H+CF3COOH"	115.000138
"1152761"	198.635901	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+3ACN+2H"	125.094202
"1702316"	404.204285	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+NH4+CF3COOH"	132.026685
"1634561"	409.15968	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+Na+CF3COOH"	136.98208
"1571672"	425.13362	"C15129"	"Estra-135(10)-triene-217beta-diol;2-Hydroxy-3-deoxyestradiol"	"C18H24O2"	"272.1776"	"M+K+CF3COOH"	152.95602
"810544"	328.2038	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M"	0
"980797"	309.18541	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"75601"	217.795257333333	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"507507"	327.196524	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"888591"	108.393990666667	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"12637"	327.196524	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"454266"	491.298424	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"826720"	163.094624	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"87807"	655.400324	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"530647"	983.604124	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"908085"	327.196524	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"54075"	672.426871	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"493636"	1000.630671	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"877392"	344.223071	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"43709"	677.382266	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"481082"	1005.586066	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"850864"	349.178466	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1621493"	349.178466	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"97292"	345.184863	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"543415"	509.286763	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"931464"	181.082963	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"280596"	691.377002	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"673747"	1019.580802	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1286158"	363.173202	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"29437"	693.356206	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"469725"	1021.560006	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"845709"	365.152406	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1564827"	365.152406	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"952709"	373.201994	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"371294"	701.405801	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"354810"	715.421451	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1497082"	387.217651	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"960612"	395.183951	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"111826"	363.173202	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"552360"	527.275102	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1026262"	199.071302	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1242683"	407.122685	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1308291"	409.178672	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1323603"	431.160629	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"915755"	441.189386	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1297936"	477.166064	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1376096"	293.191124	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1390315"	311.2011	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"292191"	657.414876	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"685705"	985.618676	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1357680"	329.211076	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"129475"	329.211076	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"570128"	493.312976	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1050230"	165.109176	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"218012"	219.809809333333	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"657695"	329.211076	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1173266"	110.408542666667	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"437633"	674.441423	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"795351"	1002.645223	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1691679"	346.237623	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"339959"	337.7243495	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"732376"	501.8262495	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1485105"	173.6224495	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"400504"	679.396818	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"764778"	1007.600618	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1615431"	351.193018	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"325099"	340.202047	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"715332"	504.303947	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1468062"	176.100147	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1060220"	117.735856666667	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1262990"	361.237286	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"389226"	695.370758	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"748034"	1023.574558	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1544619"	367.166958	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"303983"	348.189017	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"697132"	512.290917	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1449498"	184.087117	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"240286"	698.441426	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1219198"	370.237626	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1200894"	185.622451	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"195951"	701.37876	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"641711"	1029.58256	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1144490"	373.17496	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"185225"	351.193018	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"620782"	515.294918	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1128295"	187.091118	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1412547"	125.063170666667	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1443570"	375.216546	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"232900"	356.22604	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1520964"	389.26859	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"420652"	359.179988	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"783833"	523.281888	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1677617"	195.078088	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"264501"	720.423368	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1237211"	392.219568	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1725004"	392.243093	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1188170"	132.390484666667	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1662437"	397.198488	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"161278"	733.32664	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"601202"	1061.53044	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1088631"	405.12284	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"146175"	367.166958	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"588649"	531.268858	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1073163"	203.065058	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1107465"	407.137392	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1344944"	407.225007	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1015660"	411.264176	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1531600"	412.257808	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"1001326"	206.135726	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1598018"	413.172428	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1420398"	443.203938	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1152871"	226.649001	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1700239"	460.230485	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1634795"	465.18588	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1574820"	481.15982	"C15130"	"6beta19-Epoxypregn-4-ene-320-dione"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"804457"	240.115	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M"	0
"980907"	221.09661	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-H2O-H"	-19.01839
"78346"	159.069390666667	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M-3H"	-3.021828
"508710"	239.107724	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M-3H"	-3.021828
"888701"	79.0310573333333	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-3H"	-3.021828
"15508"	239.107724	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M-2H"	-2.014552
"455647"	359.165224	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M-2H"	-2.014552
"832301"	119.050224	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-2H"	-2.014552
"91927"	479.222724	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M-H"	-1.007276
"533556"	719.337724	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M-H"	-1.007276
"908560"	239.107724	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-H"	-1.007276
"59652"	496.249271	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M-2H+NH4"	16.019271
"500308"	736.364271	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M-2H+NH4"	16.019271
"875920"	256.134271	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-2H+NH4"	16.019271
"40540"	501.204666	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M-2H+Na"	20.974666
"477913"	741.319666	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M-2H+Na"	20.974666
"852068"	261.089666	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-2H+Na"	20.974666
"1623062"	261.089666	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Na-2H"	20.974666
"98131"	257.096063	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M-H+Cl"	33.962126
"540607"	377.153563	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M-H+Cl"	33.962126
"932667"	137.038563	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-H+Cl"	33.962126
"281070"	515.199402	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+Cl"	34.969402
"673492"	755.314402	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+Cl"	34.969402
"1287605"	275.084402	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Cl"	34.969402
"28454"	517.178606	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M-2H+K"	36.948606
"470443"	757.293606	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M-2H+K"	36.948606
"846549"	277.063606	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-2H+K"	36.948606
"1564938"	277.063606	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+K-2H"	36.948606
"953912"	285.113194	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-H+HCOOH"	44.998194
"374318"	525.228201	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+HCOOH-H"	44.998201
"354920"	539.243851	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+Hac-H"	59.013851
"1504848"	299.128851	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Hac-H"	59.013851
"966922"	307.095151	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-H+NaCOOH"	66.980151
"113641"	275.084402	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+2Cl"	69.938804
"554295"	395.141902	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+2Cl"	69.938804
"1025278"	155.026902	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2Cl"	69.938804
"1251418"	319.033885	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Br"	78.918885
"1310590"	321.089872	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Cl+HCOOH"	80.974872
"1325900"	343.071829	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Cl+NaCOOH"	102.956829
"920239"	353.100586	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M-H+CF3COOH"	112.985586
"1298774"	389.077264	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Cl+CF3COOH"	148.962264
"1378393"	205.102324	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H-2H2O"	-35.012676
"1394797"	223.1123	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H-H2O"	-17.0027
"289019"	481.237276	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+H"	1.007276
"682534"	721.352276	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+H"	1.007276
"1357791"	241.122276	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H"	1.007276
"133961"	241.122276	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+2H"	2.014552
"575708"	361.179776	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+2H"	2.014552
"1043414"	121.064776	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2H"	2.014552
"216783"	161.083942666667	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+3H"	3.021828
"659261"	241.122276	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+3H"	3.021828
"1174470"	81.0456093333333	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+3H"	3.021828
"427902"	498.263823	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+NH4"	18.033823
"794364"	738.378823	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+NH4"	18.033823
"1693975"	258.148823	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+NH4"	18.033823
"342253"	249.6355495	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+H+NH4"	19.041099
"737227"	369.6930495	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+H+NH4"	19.041099
"1488496"	129.5780495	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H+NH4"	19.041099
"404987"	503.219218	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+Na"	22.989218
"767075"	743.334218	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+Na"	22.989218
"1616269"	263.104218	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Na"	22.989218
"328125"	252.113247	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+H+Na"	23.996494
"719816"	372.170747	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+H+Na"	23.996494
"1471453"	132.055747	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H+Na"	23.996494
"1063608"	88.3729233333333	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2H+Na"	25.00377
"1271485"	273.148486	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+CH3OH+H"	33.033486
"387149"	519.193158	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+K"	38.963158
"748144"	759.308158	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+K"	38.963158
"1543635"	279.078158	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+K"	38.963158
"304457"	260.100217	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+H+K"	39.970434
"696878"	380.157717	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+H+K"	39.970434
"1451429"	140.042717	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H+K"	39.970434
"241489"	522.263826	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+ACN+H"	42.033826
"1214934"	282.148826	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+ACN+H"	42.033826
"1198817"	141.578051	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+ACN+2H"	43.041102
"193875"	525.20116	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+2Na-H"	44.97116
"637810"	765.31616	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+2Na-H"	44.97116
"1139128"	285.08616	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2Na-H"	44.97116
"181324"	263.104218	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+2Na"	45.978436
"621615"	383.161718	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+2Na"	45.978436
"1126215"	143.046718	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2Na"	45.978436
"1412291"	95.7002373333333	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H+2Na"	46.985712
"1444044"	287.127746	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H+HCOOH"	47.012746
"233009"	268.13724	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+3H2O+2H"	56.04448
"1518886"	301.17979	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+IsoProp+H"	61.06479
"420398"	271.091188	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+Na+K"	61.952376
"782120"	391.148688	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+Na+K"	61.952376
"1672625"	151.033688	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Na+K"	61.952376
"259145"	544.245768	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+ACN+Na"	64.015768
"1234040"	304.130768	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+ACN+Na"	64.015768
"1718554"	304.154293	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+NH4+HCOOH"	64.039293
"1182084"	103.027551333333	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+3Na"	68.967654
"1660361"	309.109688	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Na+HCOOH"	68.994688
"161388"	557.14904	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+2K-H"	76.91904
"601674"	797.26404	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+2K-H"	76.91904
"1088377"	317.03404	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2K-H"	76.91904
"144461"	279.078158	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"2M+2K"	77.926316
"588762"	399.135658	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"3M+2K"	77.926316
"1076555"	159.020658	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2K"	77.926316
"1107578"	319.048592	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2K+H"	78.933592
"1343964"	319.136207	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+DMSO+H"	79.021207
"1015406"	323.175376	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2ACN+H"	83.060376
"1530617"	324.169008	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+IsoProp+Na+H"	84.054008
"1000343"	162.091326	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+2ACN+2H"	84.067652
"1598128"	325.083628	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+K+HCOOH"	84.968628
"1419415"	355.115138	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+H+CF3COOH"	115.000138
"1151890"	182.604601	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+3ACN+2H"	125.094202
"1698525"	372.141685	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+NH4+CF3COOH"	132.026685
"1637092"	377.09708	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+Na+CF3COOH"	136.98208
"1574930"	393.07102	"C15131"	"25-Dimethoxystilbene;14-Dimethoxy-2-(2-phenylethenyl)benzene"	"C16H16O2"	"240.115"	"M+K+CF3COOH"	152.95602
"810764"	330.2195	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M"	0
"983205"	311.20111	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"70354"	219.139057333333	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"504448"	329.212224	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"888811"	109.065890666667	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"15044"	329.212224	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"455092"	494.321974	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"831314"	164.102474	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"93492"	659.431724	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"533664"	989.651224	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"910738"	329.212224	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"61950"	676.458271	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"500417"	1006.677771	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"876030"	346.238771	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"40650"	681.413666	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"478023"	1011.633166	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"851814"	351.194166	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1620620"	351.194166	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"98239"	347.200563	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"540353"	512.310313	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"931682"	182.090813	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"277898"	695.408402	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"673238"	1025.627902	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1287713"	365.188902	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"26378"	697.387606	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"469945"	1027.607106	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"846659"	367.168106	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1565048"	367.168106	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"954022"	375.217694	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"374428"	705.437201	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"353937"	719.452851	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1504958"	389.233351	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"969219"	397.199651	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"114844"	365.188902	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"556592"	530.298652	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1029763"	200.079152	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1252621"	409.138385	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1310700"	411.194372	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1326009"	433.176329	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"919256"	443.205086	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1298883"	479.181764	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1378503"	295.206824	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1391265"	313.2168	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"284390"	661.446276	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"679364"	991.665776	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1355713"	331.226776	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"128604"	331.226776	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"569258"	496.336526	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1044619"	166.117026	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"211425"	221.153609333333	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"655360"	331.226776	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1170204"	111.080442666667	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"434571"	678.472823	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"798120"	1008.692323	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1690804"	348.253323	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"341636"	339.7400495	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"731505"	504.8497995	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1486421"	174.6302995	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"401818"	683.428218	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"762811"	1013.647718	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1613096"	353.208718	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"324226"	342.217747	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"717740"	507.327497	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1469376"	177.107997	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1062625"	118.407756666667	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1267586"	363.252986	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"386165"	699.402158	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"744974"	1029.621658	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1545933"	369.182658	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"303474"	350.204717	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"694435"	515.314467	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1448256"	185.094967	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"240869"	702.472826	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1217229"	372.253326	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1203300"	186.630301	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"196171"	705.41016	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"637919"	1035.62966	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1135958"	375.19066	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"182527"	353.208718	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"616622"	518.318468	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1123408"	188.098968	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1410577"	125.735070666667	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1444152"	377.232246	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"233848"	358.24174	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1517903"	391.28429	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"416497"	361.195688	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"779316"	526.305438	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1670547"	196.085938	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"258161"	724.454768	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1231598"	394.235268	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1715744"	394.258793	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1181100"	133.062384666667	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1656096"	399.214188	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"160038"	737.35804	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"599233"	1067.57754	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1087028"	407.13854	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"142748"	369.182658	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"587778"	534.292408	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1074476"	204.072908	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1107685"	409.153092	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1341886"	409.240707	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1010416"	413.279876	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1530727"	414.273508	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"993894"	207.143576	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1592771"	415.188128	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1417338"	445.219638	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1153094"	227.656851	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1697542"	462.246185	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1637203"	467.20158	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1575041"	483.17552	"C15132"	"11alpha12alpha-Epoxy-5beta-pregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"804313"	329.2355	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M"	0
"981127"	310.21711	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-H2O-H"	-19.01839
"72651"	218.483057333333	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M-3H"	-3.021828
"505651"	328.228224	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M-3H"	-3.021828
"886735"	108.737890666667	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-3H"	-3.021828
"15032"	328.228224	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M-2H"	-2.014552
"451439"	492.845974	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M-2H"	-2.014552
"831061"	163.610474	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-2H"	-2.014552
"87044"	657.463724	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M-H"	-1.007276
"531709"	986.699224	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M-H"	-1.007276
"906596"	328.228224	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-H"	-1.007276
"58779"	674.490271	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M-2H+NH4"	16.019271
"499435"	1003.725771	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M-2H+NH4"	16.019271
"876144"	345.254771	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-2H+NH4"	16.019271
"44044"	679.445666	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M-2H+Na"	20.974666
"480321"	1008.681166	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M-2H+Na"	20.974666
"852655"	350.210166	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-2H+Na"	20.974666
"1623282"	350.210166	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Na-2H"	20.974666
"98717"	346.216563	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M-H+Cl"	33.962126
"543745"	510.834313	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M-H+Cl"	33.962126
"931063"	181.598813	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-H+Cl"	33.962126
"279101"	693.440402	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+Cl"	34.969402
"673712"	1022.675902	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+Cl"	34.969402
"1285024"	364.204902	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Cl"	34.969402
"30375"	695.419606	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M-2H+K"	36.948606
"468961"	1024.655106	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M-2H+K"	36.948606
"844950"	366.184106	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-2H+K"	36.948606
"1565157"	366.184106	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+K-2H"	36.948606
"948666"	374.233694	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-H+HCOOH"	44.998194
"374538"	703.469201	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+HCOOH-H"	44.998201
"351860"	717.484851	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+Hac-H"	59.013851
"1506531"	388.249351	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Hac-H"	59.013851
"970422"	396.215651	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-H+NaCOOH"	66.980151
"114954"	364.204902	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+2Cl"	69.938804
"556702"	528.822652	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+2Cl"	69.938804
"1029873"	199.587152	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2Cl"	69.938804
"1248359"	408.154385	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Br"	78.918885
"1307894"	410.210372	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Cl+HCOOH"	80.974872
"1324296"	432.192329	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Cl+NaCOOH"	102.956829
"918273"	442.221086	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M-H+CF3COOH"	112.985586
"1297900"	478.197764	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Cl+CF3COOH"	148.962264
"1377520"	294.222824	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H-2H2O"	-35.012676
"1390644"	312.2328	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H-H2O"	-17.0027
"284136"	659.478276	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+H"	1.007276
"680568"	988.713776	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+H"	1.007276
"1358012"	330.242776	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H"	1.007276
"130902"	330.242776	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+2H"	2.014552
"573742"	494.860526	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+2H"	2.014552
"1044729"	165.625026	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2H"	2.014552
"212633"	220.497609333333	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+3H"	3.021828
"658386"	330.242776	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+3H"	3.021828
"1173597"	110.752442666667	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+3H"	3.021828
"435777"	676.504823	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+NH4"	18.033823
"793494"	1005.740323	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+NH4"	18.033823
"1692010"	347.269323	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+NH4"	18.033823
"338101"	338.7560495	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+H+NH4"	19.041099
"729429"	503.3737995	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+H+NH4"	19.041099
"1487623"	174.1382995	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H+NH4"	19.041099
"400833"	681.460218	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+Na"	22.989218
"764013"	1010.695718	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+Na"	22.989218
"1612114"	352.224718	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Na"	22.989218
"324338"	341.233747	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+H+Na"	23.996494
"716758"	505.851497	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+H+Na"	23.996494
"1469486"	176.615997	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H+Na"	23.996494
"1062735"	118.079756666667	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2H+Na"	25.00377
"1269882"	362.268986	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+CH3OH+H"	33.033486
"385182"	697.434158	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+K"	38.963158
"747270"	1026.669658	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+K"	38.963158
"1547137"	368.198658	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+K"	38.963158
"305406"	349.220717	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+H+K"	39.970434
"696004"	513.838467	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+H+K"	39.970434
"1453836"	184.602967	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H+K"	39.970434
"241344"	700.504826	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+ACN+H"	42.033826
"1217340"	371.269326	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+ACN+H"	42.033826
"1202317"	186.138301	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+ACN+2H"	43.041102
"198468"	703.44216	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+2Na-H"	44.97116
"636936"	1032.67766	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+2Na-H"	44.97116
"1137161"	374.20666	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2Na-H"	44.97116
"181544"	352.224718	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+2Na"	45.978436
"614667"	516.842468	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+2Na"	45.978436
"1121330"	187.606968	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2Na"	45.978436
"1411783"	125.407070666667	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H+2Na"	46.985712
"1443170"	376.248246	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H+HCOOH"	47.012746
"232865"	357.25774	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+3H2O+2H"	56.04448
"1516920"	390.30029	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+IsoProp+H"	61.06479
"417700"	360.211688	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+Na+K"	61.952376
"776508"	524.829438	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+Na+K"	61.952376
"1675028"	195.593938	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Na+K"	61.952376
"261186"	722.486768	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+ACN+Na"	64.015768
"1233530"	393.251268	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+ACN+Na"	64.015768
"1716949"	393.274793	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+NH4+HCOOH"	64.039293
"1183033"	132.734384666667	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+3Na"	68.967654
"1656206"	398.230188	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Na+HCOOH"	68.994688
"160877"	735.39004	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+2K-H"	76.91904
"600073"	1064.62554	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+2K-H"	76.91904
"1086776"	406.15454	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2K-H"	76.91904
"143953"	368.198658	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"2M+2K"	77.926316
"586796"	532.816408	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"3M+2K"	77.926316
"1073493"	203.580908	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2K"	77.926316
"1104515"	408.169092	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2K+H"	78.933592
"1340902"	408.256707	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+DMSO+H"	79.021207
"1007610"	412.295876	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2ACN+H"	83.060376
"1528652"	413.289508	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+IsoProp+Na+H"	84.054008
"991817"	206.651576	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+2ACN+2H"	84.067652
"1589602"	414.204128	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+K+HCOOH"	84.968628
"1424010"	444.235638	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+H+CF3COOH"	115.000138
"1157580"	227.164851	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+3ACN+2H"	125.094202
"1708224"	461.262185	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+NH4+CF3COOH"	132.026685
"1642780"	466.21758	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+Na+CF3COOH"	136.98208
"1575151"	482.19152	"C15133"	"4-Methyl-4-aza-5-pregnene-320-dione"	"C21H31NO2"	"329.2355"	"M+K+CF3COOH"	152.95602
"804423"	230.1307	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M"	0
"979049"	211.11231	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"68385"	152.413190666667	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"505761"	229.123424	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"886845"	75.7029573333333	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"14536"	229.123424	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"452642"	344.188774	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"831050"	114.058074	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"82781"	459.254124	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"531454"	689.384824	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"907799"	229.123424	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"58890"	476.280671	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"499545"	706.411371	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"872973"	246.149971	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"41966"	481.236066	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"480431"	711.366766	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"853857"	251.105366	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1626672"	251.105366	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"98825"	247.111763	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"539479"	362.177113	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"933359"	132.046413	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"270459"	495.230802	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"667260"	725.361502	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1285134"	265.100102	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"29393"	497.210006	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"462875"	727.340706	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"846155"	267.079306	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1564175"	267.079306	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"958342"	275.128894	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"374648"	505.259601	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"359625"	519.275251	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1507491"	289.144551	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"973693"	297.110851	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"118347"	265.100102	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"562283"	380.165452	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1029988"	150.034752	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1245556"	309.049585	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1309828"	311.105572	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1326230"	333.087529	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"922761"	343.116286	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1300565"	379.092964	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1378727"	195.118024	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1394035"	213.128	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"289350"	461.268676	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"683959"	691.399376	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1357032"	231.137976	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"133930"	231.137976	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"569480"	346.203326	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1044839"	116.072626	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"213836"	154.427742666667	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"654488"	231.137976	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1166053"	77.7175093333333	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"431513"	478.295223	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"792507"	708.425923	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1691025"	248.164523	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"338210"	239.6512495	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"729537"	354.7165995	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1485546"	124.5858995	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"399850"	483.250618	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"758657"	713.381318	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1608941"	253.119918	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"320071"	242.128947	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"711400"	357.194297	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1466316"	127.063597	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1061751"	85.0448233333333	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1264526"	263.164186	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"387114"	499.224558	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"748838"	729.355258	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1547975"	269.093858	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"301142"	250.115917	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"695750"	365.181267	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1452853"	135.050567	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"237807"	502.295226	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1223288"	272.164526	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1207532"	136.585901	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"202954"	505.23256	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"639234"	735.36326	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1142739"	275.10186	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"181656"	253.119918	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"619028"	368.185268	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1124722"	138.054568	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1410070"	92.3721373333333	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1442916"	277.143446	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"231516"	258.15294	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1519214"	291.19549	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"419997"	261.106888	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"781723"	376.172238	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1675138"	146.041538	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"259475"	524.277168	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1235826"	294.146468	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1718881"	294.169993	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1185329"	99.6994513333333	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1657410"	299.125388	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"162083"	537.18044	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"599455"	767.31114	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1085915"	307.04974	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"144430"	269.093858	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"584719"	384.159208	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1071782"	154.028508	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1105719"	309.064292	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1342106"	309.151907	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1010635"	313.191076	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1527669"	314.184708	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"995210"	157.099176	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1595181"	315.099328	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1421934"	345.130838	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1157690"	177.612451	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1711250"	362.157385	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1642890"	367.11278	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1575261"	383.08672	"C15134"	"3-(1234-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"804533"	344.1988	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M"	0
"978066"	325.18041	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-H2O-H"	-19.01839
"66309"	228.458590666667	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M-3H"	-3.021828
"506963"	343.191524	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M-3H"	-3.021828
"886955"	113.725657333333	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-3H"	-3.021828
"2247"	343.191524	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M-2H"	-2.014552
"453843"	515.290924	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M-2H"	-2.014552
"831403"	171.092124	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-2H"	-2.014552
"85078"	687.390324	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M-H"	-1.007276
"531808"	1031.589124	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M-H"	-1.007276
"907908"	343.191524	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-H"	-1.007276
"59000"	704.416871	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M-2H+NH4"	16.019271
"498561"	1048.615671	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M-2H+NH4"	16.019271
"871988"	360.218071	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-2H+NH4"	16.019271
"40982"	709.372266	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M-2H+Na"	20.974666
"478354"	1053.571066	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M-2H+Na"	20.974666
"853967"	365.173466	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-2H+Na"	20.974666
"1620219"	365.173466	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Na-2H"	20.974666
"99664"	361.179863	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M-H+Cl"	33.962126
"539954"	533.279263	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M-H+Cl"	33.962126
"933105"	189.080463	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-H+Cl"	33.962126
"270934"	723.367002	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+Cl"	34.969402
"668463"	1067.565802	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+Cl"	34.969402
"1286339"	379.168202	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Cl"	34.969402
"28893"	725.346206	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M-2H+K"	36.948606
"467359"	1069.545006	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M-2H+K"	36.948606
"846267"	381.147406	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-2H+K"	36.948606
"1563192"	381.147406	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+K-2H"	36.948606
"956911"	389.196994	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-H+HCOOH"	44.998194
"373665"	733.395801	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+HCOOH-H"	44.998201
"354268"	747.411451	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+Hac-H"	59.013851
"1506752"	403.212651	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Hac-H"	59.013851
"972471"	411.178951	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-H+NaCOOH"	66.980151
"121738"	379.168202	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+2Cl"	69.938804
"562393"	551.267602	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+2Cl"	69.938804
"1030098"	207.068802	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2Cl"	69.938804
"1247488"	423.117685	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Br"	78.918885
"1309938"	425.173672	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Cl+HCOOH"	80.974872
"1330721"	447.155629	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Cl+NaCOOH"	102.956829
"918500"	457.184386	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M-H+CF3COOH"	112.985586
"1301405"	493.161064	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Cl+CF3COOH"	148.962264
"1377744"	309.186124	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H-2H2O"	-35.012676
"1393051"	327.1961	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H-H2O"	-17.0027
"294563"	689.404876	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+H"	1.007276
"684072"	1033.603676	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+H"	1.007276
"1357140"	345.206076	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H"	1.007276
"135133"	345.206076	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+2H"	2.014552
"572872"	517.305476	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+2H"	2.014552
"1046047"	173.106676	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2H"	2.014552
"213946"	230.473142666667	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+3H"	3.021828
"652415"	345.206076	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+3H"	3.021828
"1167256"	115.740209333333	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+3H"	3.021828
"431621"	706.431423	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+NH4"	18.033823
"795896"	1050.630223	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+NH4"	18.033823
"1692957"	362.232623	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+NH4"	18.033823
"339411"	353.7193495	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+H+NH4"	19.041099
"730739"	525.8187495	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+H+NH4"	19.041099
"1485654"	181.6199495	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H+NH4"	19.041099
"399960"	711.386818	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+Na"	22.989218
"759862"	1055.585618	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+Na"	22.989218
"1609051"	367.188018	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Na"	22.989218
"321275"	356.197047	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+H+Na"	23.996494
"715883"	528.296447	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+H+Na"	23.996494
"1467519"	184.097647	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H+Na"	23.996494
"1060768"	123.067523333333	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2H+Na"	25.00377
"1263542"	377.232286	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+CH3OH+H"	33.033486
"386860"	727.360758	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+K"	38.963158
"745302"	1071.559558	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+K"	38.963158
"1540795"	383.161958	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+K"	38.963158
"301251"	364.184017	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+H+K"	39.970434
"694767"	536.283417	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+H+K"	39.970434
"1449681"	192.084617	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H+K"	39.970434
"237917"	730.431426	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+ACN+H"	42.033826
"1222668"	386.232626	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+ACN+H"	42.033826
"1206918"	193.619951	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+ACN+2H"	43.041102
"200148"	733.36876	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+2Na-H"	44.97116
"640806"	1077.56756	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+2Na-H"	44.97116
"1142489"	389.16996	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2Na-H"	44.97116
"179580"	367.188018	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+2Na"	45.978436
"615859"	539.287418	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+2Na"	45.978436
"1124832"	195.088618	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2Na"	45.978436
"1410545"	130.394837333333	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H+2Na"	46.985712
"1442298"	391.211546	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H+HCOOH"	47.012746
"231626"	372.22104	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+3H2O+2H"	56.04448
"1518960"	405.26359	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+IsoProp+H"	61.06479
"419010"	375.174988	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+Na+K"	61.952376
"778917"	547.274388	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+Na+K"	61.952376
"1677070"	203.075588	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Na+K"	61.952376
"262498"	752.413368	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+ACN+Na"	64.015768
"1237029"	408.214568	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+ACN+Na"	64.015768
"1716804"	408.238093	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+NH4+HCOOH"	64.039293
"1184345"	137.722151333333	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+3Na"	68.967654
"1654237"	413.193488	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Na+HCOOH"	68.994688
"162193"	765.31664	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+2K-H"	76.91904
"597497"	1109.51544	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+2K-H"	76.91904
"1086994"	421.11784	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2K-H"	76.91904
"144540"	383.161958	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"2M+2K"	77.926316
"582277"	555.261358	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"3M+2K"	77.926316
"1073715"	211.062558	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2K"	77.926316
"1105829"	423.132392	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2K+H"	78.933592
"1342216"	423.220007	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+DMSO+H"	79.021207
"1011839"	427.259176	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2ACN+H"	83.060376
"1527779"	428.252808	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+IsoProp+Na+H"	84.054008
"995320"	214.133226	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+2ACN+2H"	84.067652
"1595291"	429.167428	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+K+HCOOH"	84.968628
"1420951"	459.198938	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+H+CF3COOH"	115.000138
"1158893"	234.646501	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+3ACN+2H"	125.094202
"1711724"	476.225485	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+NH4+CF3COOH"	132.026685
"1643000"	481.18088	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+Na+CF3COOH"	136.98208
"1575371"	497.15482	"C15135"	"3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate"	"C21H28O4"	"344.1988"	"M+K+CF3COOH"	152.95602
"807923"	306.2195	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M"	0
"981456"	287.20111	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-H2O-H"	-19.01839
"70792"	203.139057333333	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M-3H"	-3.021828
"513635"	305.212224	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M-3H"	-3.021828
"885970"	101.065890666667	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-3H"	-3.021828
"2359"	305.212224	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M-2H"	-2.014552
"450669"	458.321974	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M-2H"	-2.014552
"831273"	152.102474	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-2H"	-2.014552
"90655"	611.431724	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M-H"	-1.007276
"532890"	917.651224	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M-H"	-1.007276
"909963"	305.212224	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-H"	-1.007276
"59112"	628.458271	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M-2H+NH4"	16.019271
"499765"	934.677771	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M-2H+NH4"	16.019271
"875014"	322.238771	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-2H+NH4"	16.019271
"41092"	633.413666	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M-2H+Na"	20.974666
"480651"	939.633166	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M-2H+Na"	20.974666
"854441"	327.194166	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-2H+Na"	20.974666
"1621421"	327.194166	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Na-2H"	20.974666
"98681"	323.200563	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M-H+Cl"	33.962126
"540794"	476.310313	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M-H+Cl"	33.962126
"934312"	170.090813	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-H+Cl"	33.962126
"272141"	647.408402	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+Cl"	34.969402
"665292"	953.627902	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+Cl"	34.969402
"1283168"	341.188902	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Cl"	34.969402
"27911"	649.387606	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M-2H+K"	36.948606
"470025"	955.607106	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M-2H+K"	36.948606
"846015"	343.168106	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-2H+K"	36.948606
"1566583"	343.168106	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+K-2H"	36.948606
"956291"	351.217694	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-H+HCOOH"	44.998194
"369401"	657.437201	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+HCOOH-H"	44.998201
"356565"	671.452851	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+Hac-H"	59.013851
"1508197"	365.233351	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Hac-H"	59.013851
"972577"	373.199651	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-H+NaCOOH"	66.980151
"118568"	341.188902	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+2Cl"	69.938804
"562503"	494.298652	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+2Cl"	69.938804
"1034584"	188.079152	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2Cl"	69.938804
"1249787"	385.138385	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Br"	78.918885
"1310412"	387.194372	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Cl+HCOOH"	80.974872
"1332653"	409.176329	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Cl+NaCOOH"	102.956829
"923713"	419.205086	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M-H+CF3COOH"	112.985586
"1301878"	455.181764	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Cl+CF3COOH"	148.962264
"1380039"	271.206824	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H-2H2O"	-35.012676
"1390974"	289.2168	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H-H2O"	-17.0027
"294672"	613.446276	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+H"	1.007276
"684182"	919.665776	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+H"	1.007276
"1361260"	307.226776	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H"	1.007276
"136701"	307.226776	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+2H"	2.014552
"575169"	460.336526	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+2H"	2.014552
"1047250"	154.117026	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2H"	2.014552
"208591"	205.153609333333	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+3H"	3.021828
"650338"	307.226776	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+3H"	3.021828
"1171744"	103.080442666667	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+3H"	3.021828
"425537"	630.472823	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+NH4"	18.033823
"789451"	936.692323	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+NH4"	18.033823
"1689059"	324.253323	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+NH4"	18.033823
"339526"	315.7400495	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+H+NH4"	19.041099
"731947"	468.8497995	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+H+NH4"	19.041099
"1485767"	162.6302995	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H+NH4"	19.041099
"402258"	635.428218	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+Na"	22.989218
"758881"	941.647718	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+Na"	22.989218
"1610258"	329.208718	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Na"	22.989218
"321386"	318.217747	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+H+Na"	23.996494
"715994"	471.327497	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+H+Na"	23.996494
"1467629"	165.107997	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H+Na"	23.996494
"1060882"	110.407756666667	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2H+Na"	25.00377
"1270215"	339.252986	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+CH3OH+H"	33.033486
"388793"	651.402158	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+K"	38.963158
"749787"	957.621658	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+K"	38.963158
"1548559"	345.182658	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+K"	38.963158
"307923"	326.204717	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+H+K"	39.970434
"702536"	479.314467	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+H+K"	39.970434
"1456354"	173.094967	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H+K"	39.970434
"247143"	654.472826	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+ACN+H"	42.033826
"1223510"	348.253326	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+ACN+H"	42.033826
"1206297"	174.630301	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+ACN+2H"	43.041102
"197705"	657.41016	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+2Na-H"	44.97116
"642375"	963.62966	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+2Na-H"	44.97116
"1142963"	351.19066	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2Na-H"	44.97116
"184431"	329.208718	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+2Na"	45.978436
"621438"	482.318468	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+2Na"	45.978436
"1127861"	176.098968	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2Na"	45.978436
"1407374"	117.735070666667	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H+2Na"	46.985712
"1442771"	353.232246	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H+HCOOH"	47.012746
"233562"	334.24174	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+3H2O+2H"	56.04448
"1520530"	367.28429	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+IsoProp+H"	61.06479
"420216"	337.195688	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+Na+K"	61.952376
"783037"	490.305438	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+Na+K"	61.952376
"1676450"	184.085938	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Na+K"	61.952376
"265160"	676.454768	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+ACN+Na"	64.015768
"1237871"	370.235268	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+ACN+Na"	64.015768
"1723477"	370.258793	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+NH4+HCOOH"	64.039293
"1191016"	125.062384666667	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+3Na"	68.967654
"1663826"	375.214188	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Na+HCOOH"	68.994688
"167771"	689.35804	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+2K-H"	76.91904
"604053"	995.57754	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+2K-H"	76.91904
"1094032"	383.13854	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2K-H"	76.91904
"149754"	345.182658	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"2M+2K"	77.926316
"592596"	498.292408	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"3M+2K"	77.926316
"1081480"	192.072908	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2K"	77.926316
"1112503"	385.153092	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2K+H"	78.933592
"1346700"	385.240707	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+DMSO+H"	79.021207
"1014137"	389.279876	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2ACN+H"	83.060376
"1534450"	390.273508	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+IsoProp+Na+H"	84.054008
"996523"	195.143576	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+2ACN+2H"	84.067652
"1596495"	391.188128	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+K+HCOOH"	84.968628
"1425437"	421.219638	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+H+CF3COOH"	115.000138
"1162411"	215.656851	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+3ACN+2H"	125.094202
"1712325"	438.246185	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+NH4+CF3COOH"	132.026685
"1646391"	443.20158	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+Na+CF3COOH"	136.98208
"1572200"	459.17552	"C15136"	"3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one;Isoandrololactone"	"C19H30O3"	"306.2195"	"M+K+CF3COOH"	152.95602
"814594"	334.2508	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M"	0
"989548"	315.23241	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H2O-H"	-19.01839
"78156"	221.826590666667	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-3H"	-3.021828
"514838"	333.243524	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-3H"	-3.021828
"890455"	110.409657333333	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-3H"	-3.021828
"6841"	333.243524	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H"	-2.014552
"455158"	500.368924	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H"	-2.014552
"832111"	166.118124	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H"	-2.014552
"93806"	667.494324	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-H"	-1.007276
"533852"	1001.745124	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-H"	-1.007276
"909221"	333.243524	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H"	-1.007276
"60314"	684.520871	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H+NH4"	16.019271
"500966"	1018.771671	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H+NH4"	16.019271
"873301"	350.270071	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H+NH4"	16.019271
"37920"	689.476266	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H+Na"	20.974666
"478574"	1023.727066	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H+Na"	20.974666
"849930"	355.225466	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H+Na"	20.974666
"1620439"	355.225466	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na-2H"	20.974666
"95506"	351.231863	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-H+Cl"	33.962126
"537257"	518.357263	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-H+Cl"	33.962126
"936608"	184.106463	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+Cl"	33.962126
"272251"	703.471002	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Cl"	34.969402
"666130"	1037.721802	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+Cl"	34.969402
"1284369"	369.220202	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl"	34.969402
"29358"	705.450206	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M-2H+K"	36.948606
"465393"	1039.701006	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M-2H+K"	36.948606
"845031"	371.199406	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-2H+K"	36.948606
"1566694"	371.199406	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K-2H"	36.948606
"954579"	379.248994	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+HCOOH"	44.998194
"371698"	713.499801	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+HCOOH-H"	44.998201
"360568"	727.515451	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Hac-H"	59.013851
"1506972"	393.264651	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Hac-H"	59.013851
"973054"	401.230951	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+NaCOOH"	66.980151
"119772"	369.220202	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2Cl"	69.938804
"562613"	536.345602	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2Cl"	69.938804
"1033969"	202.094802	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2Cl"	69.938804
"1249897"	413.169685	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Br"	78.918885
"1312344"	415.225672	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl+HCOOH"	80.974872
"1333493"	437.207629	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl+NaCOOH"	102.956829
"923823"	447.236386	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M-H+CF3COOH"	112.985586
"1300895"	483.213064	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Cl+CF3COOH"	148.962264
"1376870"	299.238124	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H-2H2O"	-35.012676
"1391085"	317.2481	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H-H2O"	-17.0027
"294055"	669.508876	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H"	1.007276
"685385"	1003.759676	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H"	1.007276
"1362827"	335.258076	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H"	1.007276
"133530"	335.258076	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2H"	2.014552
"578561"	502.383476	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2H"	2.014552
"1049548"	168.132676	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2H"	2.014552
"211982"	223.841142666667	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+3H"	3.021828
"653729"	335.258076	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+3H"	3.021828
"1168575"	112.424209333333	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+3H"	3.021828
"425647"	686.535423	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+NH4"	18.033823
"790654"	1020.786223	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+NH4"	18.033823
"1688077"	352.284623	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+NH4"	18.033823
"339635"	343.7713495	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H+NH4"	19.041099
"729870"	510.8967495	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H+NH4"	19.041099
"1486973"	176.6459495	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+NH4"	19.041099
"404556"	691.490818	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Na"	22.989218
"762273"	1025.741618	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+Na"	22.989218
"1614740"	357.240018	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na"	22.989218
"323682"	346.249047	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H+Na"	23.996494
"715012"	513.374447	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H+Na"	23.996494
"1468832"	179.123647	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+Na"	23.996494
"1068368"	119.751523333333	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2H+Na"	25.00377
"1270326"	367.284286	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+CH3OH+H"	33.033486
"389996"	707.464758	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+K"	38.963158
"748804"	1041.715558	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+K"	38.963158
"1548669"	373.213958	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K"	38.963158
"304023"	354.236017	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+H+K"	39.970434
"701553"	521.361417	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+H+K"	39.970434
"1454278"	187.110617	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+K"	39.970434
"241788"	710.535426	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+ACN+H"	42.033826
"1223621"	376.284626	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+ACN+H"	42.033826
"1206771"	188.645951	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+ACN+2H"	43.041102
"197815"	713.47276	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2Na-H"	44.97116
"641389"	1047.72356	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2Na-H"	44.97116
"1144166"	379.22196	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2Na-H"	44.97116
"185998"	357.240018	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2Na"	45.978436
"623733"	524.365418	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2Na"	45.978436
"1125055"	190.114618	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2Na"	45.978436
"1411496"	127.078837333333	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+2Na"	46.985712
"1443245"	381.263546	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+HCOOH"	47.012746
"233430"	362.27304	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+3H2O+2H"	56.04448
"1521366"	395.31559	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+IsoProp+H"	61.06479
"421783"	365.226988	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+Na+K"	61.952376
"780229"	532.352388	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+Na+K"	61.952376
"1675465"	198.101588	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na+K"	61.952376
"264539"	732.517368	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+ACN+Na"	64.015768
"1236883"	398.266568	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+ACN+Na"	64.015768
"1722129"	398.290093	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+NH4+HCOOH"	64.039293
"1187848"	134.406151333333	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+3Na"	68.967654
"1658832"	403.245488	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na+HCOOH"	68.994688
"163508"	745.42064	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2K-H"	76.91904
"599789"	1079.67144	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2K-H"	76.91904
"1089767"	411.16984	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2K-H"	76.91904
"147678"	373.213958	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"2M+2K"	77.926316
"587237"	540.339358	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"3M+2K"	77.926316
"1076124"	206.088558	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2K"	77.926316
"1104960"	413.184392	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2K+H"	78.933592
"1343530"	413.272007	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+DMSO+H"	79.021207
"1009874"	417.311176	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2ACN+H"	83.060376
"1532372"	418.304808	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+IsoProp+Na+H"	84.054008
"995541"	209.159226	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+2ACN+2H"	84.067652
"1591137"	419.219428	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K+HCOOH"	84.968628
"1422265"	449.250938	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+H+CF3COOH"	115.000138
"1159114"	229.672501	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+3ACN+2H"	125.094202
"1708664"	466.277485	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+NH4+CF3COOH"	132.026685
"1646501"	471.23288	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+Na+CF3COOH"	136.98208
"1574496"	487.20682	"C15137"	"17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one"	"C21H34O3"	"334.2508"	"M+K+CF3COOH"	152.95602
"804863"	320.2351	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M"	0
"981676"	301.21671	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"73200"	212.482790666667	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"511668"	319.227824	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"886190"	105.737757333333	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"6951"	319.227824	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"442138"	479.345374	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"831609"	159.110274	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"93788"	639.462924	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"533109"	959.698024	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"908968"	319.227824	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"59331"	656.489471	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"495609"	976.724571	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"871224"	336.254371	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"36571"	661.444866	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"476497"	981.679966	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"848658"	341.209766	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1618560"	341.209766	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"94687"	337.216163	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"535787"	497.333713	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"936717"	177.098613	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"273454"	675.439602	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"665512"	995.674702	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1284479"	355.204502	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"27768"	677.418806	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"466596"	997.653906	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"841127"	357.183706	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1568991"	357.183706	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"954689"	365.233294	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"375089"	685.468401	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"358737"	699.484051	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1505619"	379.248951	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"972071"	387.215251	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"122069"	355.204502	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"562723"	515.322052	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1034803"	195.086952	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1251101"	399.153985	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1312454"	401.209972	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1329588"	423.191929	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"920644"	433.220686	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1296626"	469.197364	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1376972"	285.222424	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1393381"	303.2324	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"293072"	641.477476	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"686587"	961.712576	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1358566"	321.242376	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"135827"	321.242376	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"578671"	481.359926	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1048932"	161.124826	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"215008"	214.497342666667	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"654934"	321.242376	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1167592"	107.752309333333	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"426243"	658.504023	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"790764"	978.739123	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1687095"	338.268923	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"333187"	329.7556495	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"729980"	489.8731995	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1487082"	169.6380995	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"401388"	663.459418	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"762384"	983.694518	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1612664"	343.224318	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"321606"	332.233347	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"715851"	492.350897	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1467849"	172.115797	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1067421"	115.079623333333	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1270436"	353.268586	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"387920"	679.433358	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"747821"	999.668458	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1548779"	359.198258	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"305956"	340.220317	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"696194"	500.337867	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1451107"	180.102767	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"240805"	682.504026	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1224458"	362.268926	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1208707"	181.638101	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"201207"	685.44136	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"641497"	1005.67646	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1145734"	365.20626	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"185014"	343.224318	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"622750"	503.341868	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1129540"	183.106768	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1412698"	122.406937333333	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1441897"	367.247846	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"231593"	348.25734	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1521840"	381.29989	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"421892"	351.211288	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"780339"	511.328838	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1675574"	191.093738	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"263190"	704.485968	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1236993"	384.250868	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1723695"	384.274393	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1189779"	129.734251333333	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1661128"	389.229788	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"166898"	717.38924	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"602086"	1037.62434	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1089877"	397.15414	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"147785"	359.198258	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"588440"	519.315808	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1077327"	199.080708	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1109443"	399.168692	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1344733"	399.256307	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1012170"	403.295476	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1531389"	404.289108	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"997838"	202.151376	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1591247"	405.203728	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1423469"	435.235238	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1159224"	222.664651	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1708774"	452.261785	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1646611"	457.21718	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1574606"	473.19112	"C15138"	"17beta-Methoxyandrost-5-ene-3beta16beta-diol"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"804973"	334.2508	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M"	0
"981786"	315.23241	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-H2O-H"	-19.01839
"76590"	221.826590666667	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M-3H"	-3.021828
"511778"	333.243524	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M-3H"	-3.021828
"886300"	110.409657333333	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-3H"	-3.021828
"7061"	333.243524	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M-2H"	-2.014552
"442248"	500.368924	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M-2H"	-2.014552
"826613"	166.118124	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-2H"	-2.014552
"84417"	667.494324	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M-H"	-1.007276
"532730"	1001.745124	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M-H"	-1.007276
"910416"	333.243524	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-H"	-1.007276
"58347"	684.520871	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M-2H+NH4"	16.019271
"498999"	1018.771671	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M-2H+NH4"	16.019271
"871334"	350.270071	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-2H+NH4"	16.019271
"36317"	689.476266	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M-2H+Na"	20.974666
"476607"	1023.727066	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M-2H+Na"	20.974666
"849666"	355.225466	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-2H+Na"	20.974666
"1618790"	355.225466	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Na-2H"	20.974666
"96093"	351.231863	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M-H+Cl"	33.962126
"534919"	518.357263	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M-H+Cl"	33.962126
"930265"	184.106463	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-H+Cl"	33.962126
"268824"	703.471002	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+Cl"	34.969402
"660517"	1037.721802	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+Cl"	34.969402
"1284590"	369.220202	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Cl"	34.969402
"27877"	705.450206	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M-2H+K"	36.948606
"466706"	1039.701006	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M-2H+K"	36.948606
"844515"	371.199406	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-2H+K"	36.948606
"1569466"	371.199406	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+K-2H"	36.948606
"953706"	379.248994	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-H+HCOOH"	44.998194
"373012"	713.499801	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+HCOOH-H"	44.998201
"359816"	727.515451	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+Hac-H"	59.013851
"1505728"	393.264651	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Hac-H"	59.013851
"972544"	401.230951	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-H+NaCOOH"	66.980151
"119992"	369.220202	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+2Cl"	69.938804
"562833"	536.345602	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+2Cl"	69.938804
"1034913"	202.094802	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2Cl"	69.938804
"1252304"	413.169685	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Br"	78.918885
"1313657"	415.225672	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Cl+HCOOH"	80.974872
"1331155"	437.207629	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Cl+NaCOOH"	102.956829
"918932"	447.236386	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M-H+CF3COOH"	112.985586
"1297829"	483.213064	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Cl+CF3COOH"	148.962264
"1375989"	299.238124	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H-2H2O"	-35.012676
"1392397"	317.2481	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H-H2O"	-17.0027
"292087"	669.508876	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+H"	1.007276
"686697"	1003.759676	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+H"	1.007276
"1361954"	335.258076	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H"	1.007276
"135937"	335.258076	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+2H"	2.014552
"578782"	502.383476	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+2H"	2.014552
"1048675"	168.132676	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2H"	2.014552
"211107"	223.841142666667	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+3H"	3.021828
"656135"	335.258076	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+3H"	3.021828
"1168795"	112.424209333333	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+3H"	3.021828
"426598"	686.535423	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+NH4"	18.033823
"788688"	1020.786223	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+NH4"	18.033823
"1687206"	352.284623	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+NH4"	18.033823
"335485"	343.7713495	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+H+NH4"	19.041099
"726810"	510.8967495	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+H+NH4"	19.041099
"1486099"	176.6459495	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H+NH4"	19.041099
"402589"	691.490818	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+Na"	22.989218
"763586"	1025.741618	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+Na"	22.989218
"1611680"	357.240018	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Na"	22.989218
"323903"	346.249047	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+H+Na"	23.996494
"718148"	513.374447	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+H+Na"	23.996494
"1469053"	179.123647	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H+Na"	23.996494
"1066559"	119.751523333333	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2H+Na"	25.00377
"1268360"	367.284286	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+CH3OH+H"	33.033486
"385843"	707.464758	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+K"	38.963158
"745744"	1041.715558	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+K"	38.963158
"1543057"	373.213958	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+K"	38.963158
"302785"	354.236017	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+H+K"	39.970434
"697397"	521.361417	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+H+K"	39.970434
"1450122"	187.110617	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H+K"	39.970434
"242004"	710.535426	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+ACN+H"	42.033826
"1220918"	376.284626	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+ACN+H"	42.033826
"1204072"	188.645951	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+ACN+2H"	43.041102
"196942"	713.47276	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+2Na-H"	44.97116
"641607"	1047.72356	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+2Na-H"	44.97116
"1144385"	379.22196	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2Na-H"	44.97116
"180019"	357.240018	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+2Na"	45.978436
"620673"	524.365418	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+2Na"	45.978436
"1127461"	190.114618	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2Na"	45.978436
"1406611"	127.078837333333	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H+2Na"	46.985712
"1440912"	381.263546	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H+HCOOH"	47.012746
"227327"	362.27304	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+3H2O+2H"	56.04448
"1519763"	395.31559	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+IsoProp+H"	61.06479
"418355"	365.226988	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+Na+K"	61.952376
"783728"	532.352388	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+Na+K"	61.952376
"1676776"	198.101588	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Na+K"	61.952376
"264029"	732.517368	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+ACN+Na"	64.015768
"1239290"	398.266568	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+ACN+Na"	64.015768
"1725993"	398.290093	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+NH4+HCOOH"	64.039293
"1189160"	134.406151333333	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+3Na"	68.967654
"1662330"	403.245488	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Na+HCOOH"	68.994688
"167008"	745.42064	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+2K-H"	76.91904
"607663"	1079.67144	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+2K-H"	76.91904
"1092174"	411.16984	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2K-H"	76.91904
"147895"	373.213958	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"2M+2K"	77.926316
"588550"	540.339358	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"3M+2K"	77.926316
"1079624"	206.088558	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2K"	77.926316
"1108461"	413.184392	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2K+H"	78.933592
"1340472"	413.272007	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+DMSO+H"	79.021207
"1012280"	417.311176	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2ACN+H"	83.060376
"1531499"	418.304808	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+IsoProp+Na+H"	84.054008
"996854"	209.159226	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+2ACN+2H"	84.067652
"1592451"	419.219428	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+K+HCOOH"	84.968628
"1425766"	449.250938	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+H+CF3COOH"	115.000138
"1158241"	229.672501	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+3ACN+2H"	125.094202
"1705604"	466.277485	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+NH4+CF3COOH"	132.026685
"1646721"	471.23288	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+Na+CF3COOH"	136.98208
"1574716"	487.20682	"C15139"	"D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate"	"C21H34O3"	"334.2508"	"M+K+CF3COOH"	152.95602
"805083"	326.2421	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M"	0
"981896"	307.22371	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-H2O-H"	-19.01839
"76336"	216.487457333333	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M-3H"	-3.021828
"511888"	325.234824	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M-3H"	-3.021828
"886410"	107.740090666667	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-3H"	-3.021828
"8265"	325.234824	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M-2H"	-2.014552
"443452"	488.355874	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M-2H"	-2.014552
"821254"	162.113774	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-2H"	-2.014552
"88901"	651.476924	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M-H"	-1.007276
"526274"	977.719024	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M-H"	-1.007276
"909311"	325.234824	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-H"	-1.007276
"59550"	668.503471	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M-2H+NH4"	16.019271
"500570"	994.745571	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M-2H+NH4"	16.019271
"874728"	342.261371	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-2H+NH4"	16.019271
"41531"	673.458866	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M-2H+Na"	20.974666
"477811"	999.700966	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M-2H+Na"	20.974666
"849533"	347.216766	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-2H+Na"	20.974666
"1619062"	347.216766	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Na-2H"	20.974666
"96201"	343.223163	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M-H+Cl"	33.962126
"535036"	506.344213	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M-H+Cl"	33.962126
"935844"	180.102113	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-H+Cl"	33.962126
"278777"	687.453602	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+Cl"	34.969402
"661357"	1013.695702	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+Cl"	34.969402
"1282514"	361.211502	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Cl"	34.969402
"26162"	689.432806	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M-2H+K"	36.948606
"465723"	1015.674906	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M-2H+K"	36.948606
"841346"	363.190706	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-2H+K"	36.948606
"1569213"	363.190706	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+K-2H"	36.948606
"952723"	371.240294	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-H+HCOOH"	44.998194
"372029"	697.482401	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+HCOOH-H"	44.998201
"358467"	711.498051	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+Hac-H"	59.013851
"1504745"	385.255951	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Hac-H"	59.013851
"971193"	393.222251	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-H+NaCOOH"	66.980151
"119009"	361.211502	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+2Cl"	69.938804
"560757"	524.332552	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+2Cl"	69.938804
"1033930"	198.090452	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2Cl"	69.938804
"1251320"	405.160985	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Br"	78.918885
"1313767"	407.216972	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Cl+HCOOH"	80.974872
"1327985"	429.198929	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Cl+NaCOOH"	102.956829
"919042"	439.227686	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M-H+CF3COOH"	112.985586
"1297939"	475.204364	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Cl+CF3COOH"	148.962264
"1377192"	291.229424	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H-2H2O"	-35.012676
"1391412"	309.2394	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H-H2O"	-17.0027
"291104"	653.491476	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+H"	1.007276
"685714"	979.733576	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+H"	1.007276
"1360971"	327.249376	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H"	1.007276
"138234"	327.249376	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+2H"	2.014552
"579258"	490.370426	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+2H"	2.014552
"1050608"	164.128326	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2H"	2.014552
"213404"	218.502009333333	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+3H"	3.021828
"658432"	327.249376	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+3H"	3.021828
"1171091"	109.754642666667	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+3H"	3.021828
"429989"	670.518023	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+NH4"	18.033823
"793173"	996.760123	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+NH4"	18.033823
"1686224"	344.275923	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+NH4"	18.033823
"337782"	335.7626495	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+H+NH4"	19.041099
"729108"	498.8836995	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+H+NH4"	19.041099
"1488398"	172.6415995	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H+NH4"	19.041099
"402699"	675.473418	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+Na"	22.989218
"765882"	1001.715518	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+Na"	22.989218
"1613613"	349.231318	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Na"	22.989218
"325473"	338.240347	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+H+Na"	23.996494
"719353"	501.361397	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+H+Na"	23.996494
"1471350"	175.119297	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H+Na"	23.996494
"1067276"	117.081956666667	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2H+Na"	25.00377
"1270657"	359.275586	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+CH3OH+H"	33.033486
"383766"	691.447358	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+K"	38.963158
"746947"	1017.689458	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+K"	38.963158
"1545720"	365.205258	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+K"	38.963158
"302895"	346.227317	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+H+K"	39.970434
"696413"	509.348367	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+H+K"	39.970434
"1445853"	183.106267	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H+K"	39.970434
"238103"	694.518026	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+ACN+H"	42.033826
"1222488"	368.275926	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+ACN+H"	42.033826
"1205641"	184.641601	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+ACN+2H"	43.041102
"197052"	697.45536	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+2Na-H"	44.97116
"638801"	1023.69746	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+2Na-H"	44.97116
"1141212"	371.21326	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2Na-H"	44.97116
"179036"	349.231318	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+2Na"	45.978436
"620783"	512.352368	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+2Na"	45.978436
"1124290"	186.110268	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2Na"	45.978436
"1410001"	124.409270666667	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H+2Na"	46.985712
"1438836"	373.254846	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H+HCOOH"	47.012746
"227437"	354.26434	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+3H2O+2H"	56.04448
"1513312"	387.30689	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+IsoProp+H"	61.06479
"419558"	357.218288	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+Na+K"	61.952376
"781287"	520.339338	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+Na+K"	61.952376
"1674699"	194.097238	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Na+K"	61.952376
"261223"	716.499968	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+ACN+Na"	64.015768
"1236119"	390.257868	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+ACN+Na"	64.015768
"1725008"	390.281393	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+NH4+HCOOH"	64.039293
"1191819"	131.736584666667	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+3Na"	68.967654
"1662440"	395.236788	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Na+HCOOH"	68.994688
"167118"	729.40324	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+2K-H"	76.91904
"608866"	1055.64534	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+2K-H"	76.91904
"1094470"	403.16114	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2K-H"	76.91904
"146912"	365.205258	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"2M+2K"	77.926316
"585380"	528.326308	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"3M+2K"	77.926316
"1078641"	202.084208	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2K"	77.926316
"1109663"	405.175692	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2K+H"	78.933592
"1341675"	405.263307	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+DMSO+H"	79.021207
"1012390"	409.302476	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2ACN+H"	83.060376
"1533797"	410.296108	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+IsoProp+Na+H"	84.054008
"996964"	205.154876	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+2ACN+2H"	84.067652
"1592561"	411.210728	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+K+HCOOH"	84.968628
"1423690"	441.242238	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+H+CF3COOH"	115.000138
"1160538"	225.668151	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+3ACN+2H"	125.094202
"1710819"	458.268785	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+NH4+CF3COOH"	132.026685
"1646832"	463.22418	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+Na+CF3COOH"	136.98208
"1572640"	479.19812	"C15140"	"33-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	"C20H32F2O"	"326.2421"	"M+K+CF3COOH"	152.95602
"805193"	198.1157	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M"	0
"983099"	179.09731	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-H2O-H"	-19.01839
"69155"	131.069857333333	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M-3H"	-3.021828
"507623"	197.108424	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M-3H"	-3.021828
"891985"	65.0312906666667	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-3H"	-3.021828
"8374"	197.108424	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M-2H"	-2.014552
"447935"	296.166274	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M-2H"	-2.014552
"822457"	98.050574	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-2H"	-2.014552
"86823"	395.224124	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M-H"	-1.007276
"527477"	593.339824	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M-H"	-1.007276
"909789"	197.108424	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-H"	-1.007276
"60753"	412.250671	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M-2H+NH4"	16.019271
"500922"	610.366371	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M-2H+NH4"	16.019271
"877753"	214.134971	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-2H+NH4"	16.019271
"41641"	417.206066	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M-2H+Na"	20.974666
"476462"	615.321766	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M-2H+Na"	20.974666
"850615"	219.090366	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-2H+Na"	20.974666
"1619900"	219.090366	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Na-2H"	20.974666
"95704"	215.096763	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M-H+Cl"	33.962126
"534782"	314.154613	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M-H+Cl"	33.962126
"929027"	116.038913	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-H+Cl"	33.962126
"269043"	431.200802	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+Cl"	34.969402
"665839"	629.316502	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+Cl"	34.969402
"1276054"	233.085102	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Cl"	34.969402
"25179"	433.180006	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M-2H+K"	36.948606
"461459"	631.295706	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M-2H+K"	36.948606
"845464"	235.064306	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-2H+K"	36.948606
"1567135"	235.064306	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+K-2H"	36.948606
"954656"	243.113894	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-H+HCOOH"	44.998194
"371046"	441.229601	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+HCOOH-H"	44.998201
"357121"	455.245251	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+Hac-H"	59.013851
"1501576"	257.129551	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Hac-H"	59.013851
"966929"	265.095851	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-H+NaCOOH"	66.980151
"119119"	233.085102	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+2Cl"	69.938804
"561596"	332.142952	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+2Cl"	69.938804
"1032583"	134.027252	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2Cl"	69.938804
"1250338"	277.034585	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Br"	78.918885
"1314971"	279.090572	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Cl+HCOOH"	80.974872
"1328095"	301.072529	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Cl+NaCOOH"	102.956829
"920245"	311.101286	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M-H+CF3COOH"	112.985586
"1298049"	347.077964	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Cl+CF3COOH"	148.962264
"1376209"	163.103024	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H-2H2O"	-35.012676
"1388237"	181.113	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H-H2O"	-17.0027
"290120"	397.238676	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+H"	1.007276
"685824"	595.354376	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+H"	1.007276
"1362175"	199.122976	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H"	1.007276
"139074"	199.122976	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+2H"	2.014552
"577907"	298.180826	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+2H"	2.014552
"1049987"	100.065126	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2H"	2.014552
"216794"	133.084409333333	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+3H"	3.021828
"656357"	199.122976	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+3H"	3.021828
"1169016"	67.0458426666667	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+3H"	3.021828
"436660"	414.265223	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+NH4"	18.033823
"788908"	612.380923	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+NH4"	18.033823
"1684146"	216.149523	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+NH4"	18.033823
"336799"	207.6362495	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+H+NH4"	19.041099
"729217"	306.6940995	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+H+NH4"	19.041099
"1486319"	108.5783995	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H+NH4"	19.041099
"404996"	419.220618	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+Na"	22.989218
"765991"	617.336318	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+Na"	22.989218
"1614452"	221.104918	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Na"	22.989218
"325583"	210.113947	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+H+Na"	23.996494
"718369"	309.171797	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+H+Na"	23.996494
"1469272"	111.056097	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H+Na"	23.996494
"1065805"	74.3731566666667	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2H+Na"	25.00377
"1270767"	231.149186	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+CH3OH+H"	33.033486
"381691"	435.194558	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+K"	38.963158
"743777"	633.310258	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+K"	38.963158
"1542550"	237.078858	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+K"	38.963158
"303005"	218.100917	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+H+K"	39.970434
"694335"	317.158767	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+H+K"	39.970434
"1446569"	119.043067	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H+K"	39.970434
"237483"	438.265226	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+ACN+H"	42.033826
"1218223"	240.149526	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+ACN+H"	42.033826
"1205751"	120.578401	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+ACN+2H"	43.041102
"197162"	441.20256	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+2Na-H"	44.97116
"637817"	639.31826	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+2Na-H"	44.97116
"1138042"	243.08686	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2Na-H"	44.97116
"178053"	221.104918	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+2Na"	45.978436
"623081"	320.162768	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+2Na"	45.978436
"1122214"	122.047068	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2Na"	45.978436
"1406831"	81.7004706666667	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H+2Na"	46.985712
"1438945"	245.128446	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H+HCOOH"	47.012746
"229735"	226.13794	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+3H2O+2H"	56.04448
"1516702"	259.18049	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+IsoProp+H"	61.06479
"418575"	229.091888	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+Na+K"	61.952376
"774836"	328.149738	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+Na+K"	61.952376
"1672622"	130.034038	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Na+K"	61.952376
"260240"	460.247168	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+ACN+Na"	64.015768
"1234042"	262.131468	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+ACN+Na"	64.015768
"1726575"	262.154993	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+NH4+HCOOH"	64.039293
"1191564"	89.0277846666667	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+3Na"	68.967654
"1662186"	267.110388	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Na+HCOOH"	68.994688
"168322"	473.15044	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+2K-H"	76.91904
"607882"	671.26614	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+2K-H"	76.91904
"1094581"	275.03474	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2K-H"	76.91904
"147022"	237.078858	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"2M+2K"	77.926316
"588770"	336.136708	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"3M+2K"	77.926316
"1079844"	138.021008	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2K"	77.926316
"1110867"	277.049292	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2K+H"	78.933592
"1347251"	277.136907	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+DMSO+H"	79.021207
"1011406"	281.176076	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2ACN+H"	83.060376
"1533906"	282.169708	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+IsoProp+Na+H"	84.054008
"1001448"	141.091676	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+2ACN+2H"	84.067652
"1592671"	283.084328	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+K+HCOOH"	84.968628
"1424893"	313.115838	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+H+CF3COOH"	115.000138
"1159555"	161.604951	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+3ACN+2H"	125.094202
"1710565"	330.142385	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+NH4+CF3COOH"	132.026685
"1647671"	335.09778	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+Na+CF3COOH"	136.98208
"1573843"	351.07172	"C15141"	"N-(Phenylmethyl)-N-methyl-2-pyridinamine"	"C13H14N2"	"198.1157"	"M+K+CF3COOH"	152.95602
"808583"	298.1933	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M"	0
"984303"	279.17491	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-H2O-H"	-19.01839
"71452"	197.788257333333	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M-3H"	-3.021828
"507733"	297.186024	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M-3H"	-3.021828
"889909"	98.3904906666667	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-3H"	-3.021828
"7391"	297.186024	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M-2H"	-2.014552
"448045"	446.282674	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M-2H"	-2.014552
"823660"	148.089374	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-2H"	-2.014552
"90213"	595.379324	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M-H"	-1.007276
"527587"	893.572624	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M-H"	-1.007276
"907578"	297.186024	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-H"	-1.007276
"60863"	612.405871	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M-2H+NH4"	16.019271
"502615"	910.599171	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M-2H+NH4"	16.019271
"873852"	314.212571	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-2H+NH4"	16.019271
"41751"	617.361266	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M-2H+Na"	20.974666
"478031"	915.554566	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M-2H+Na"	20.974666
"849388"	319.167966	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-2H+Na"	20.974666
"1620132"	319.167966	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Na-2H"	20.974666
"95206"	315.174363	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M-H+Cl"	33.962126
"534649"	464.271013	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M-H+Cl"	33.962126
"928773"	166.077713	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-H+Cl"	33.962126
"269153"	631.356002	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+Cl"	34.969402
"664855"	929.549302	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+Cl"	34.969402
"1274705"	333.162702	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Cl"	34.969402
"17628"	633.335206	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M-2H+K"	36.948606
"457676"	931.528506	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M-2H+K"	36.948606
"845938"	335.141906	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-2H+K"	36.948606
"1567976"	335.141906	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+K-2H"	36.948606
"955129"	343.191494	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-H+HCOOH"	44.998194
"372250"	641.384801	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+HCOOH-H"	44.998201
"357231"	655.400451	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+Hac-H"	59.013851
"1502781"	357.207151	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Hac-H"	59.013851
"969228"	365.173451	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-H+NaCOOH"	66.980151
"119961"	333.162702	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+2Cl"	69.938804
"558791"	482.259352	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+2Cl"	69.938804
"1032329"	184.066052	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2Cl"	69.938804
"1251908"	377.112185	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Br"	78.918885
"1312897"	379.168172	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Cl+HCOOH"	80.974872
"1329666"	401.150129	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Cl+NaCOOH"	102.956829
"919263"	411.178886	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M-H+CF3COOH"	112.985586
"1295977"	447.155564	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Cl+CF3COOH"	148.962264
"1375226"	263.180624	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H-2H2O"	-35.012676
"1387254"	281.1906	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H-H2O"	-17.0027
"290227"	597.393876	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+H"	1.007276
"688122"	895.587176	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+H"	1.007276
"1366820"	299.200576	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H"	1.007276
"141142"	299.200576	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+2H"	2.014552
"580693"	448.297226	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+2H"	2.014552
"1052043"	150.103926	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2H"	2.014552
"219459"	199.802809333333	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+3H"	3.021828
"659426"	299.200576	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+3H"	3.021828
"1178201"	100.405042666667	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+3H"	3.021828
"439895"	614.420423	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+NH4"	18.033823
"795580"	912.613723	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+NH4"	18.033823
"1690817"	316.227123	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+NH4"	18.033823
"336908"	307.7138495	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+H+NH4"	19.041099
"737716"	456.8104995	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+H+NH4"	19.041099
"1490441"	158.6171995	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H+NH4"	19.041099
"402925"	619.375818	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+Na"	22.989218
"763917"	917.569118	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+Na"	22.989218
"1615294"	321.182518	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Na"	22.989218
"329584"	310.191547	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+H+Na"	23.996494
"719938"	459.288197	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+H+Na"	23.996494
"1473757"	161.094897	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H+Na"	23.996494
"1068416"	107.732356666667	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2H+Na"	25.00377
"1272423"	331.226786	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+CH3OH+H"	33.033486
"382894"	635.349758	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+K"	38.963158
"743890"	933.543058	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+K"	38.963158
"1543755"	337.156458	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+K"	38.963158
"305303"	318.178517	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+H+K"	39.970434
"695540"	467.275167	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+H+K"	39.970434
"1450452"	169.081867	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H+K"	39.970434
"239057"	638.420426	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+ACN+H"	42.033826
"1221250"	340.227126	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+ACN+H"	42.033826
"1205862"	170.617201	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+ACN+2H"	43.041102
"198367"	641.35776	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+2Na-H"	44.97116
"639024"	939.55106	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+2Na-H"	44.97116
"1140343"	343.16446	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2Na-H"	44.97116
"182537"	321.182518	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+2Na"	45.978436
"622098"	470.279168	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+2Na"	45.978436
"1125605"	172.085868	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2Na"	45.978436
"1408036"	115.059670666667	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H+2Na"	46.985712
"1439059"	345.206046	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H+HCOOH"	47.012746
"230574"	326.21554	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+3H2O+2H"	56.04448
"1519001"	359.25809	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+IsoProp+H"	61.06479
"419050"	329.169488	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+Na+K"	61.952376
"779686"	478.266138	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+Na+K"	61.952376
"1671642"	180.072838	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Na+K"	61.952376
"259257"	660.402368	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+ACN+Na"	64.015768
"1240351"	362.209068	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+ACN+Na"	64.015768
"1728147"	362.232593	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+NH4+HCOOH"	64.039293
"1191674"	122.386984666667	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+3Na"	68.967654
"1661567"	367.187988	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Na+HCOOH"	68.994688
"171837"	673.30564	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+2K-H"	76.91904
"612249"	971.49894	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+2K-H"	76.91904
"1097609"	375.11234	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2K-H"	76.91904
"151507"	337.156458	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"2M+2K"	77.926316
"595079"	486.253108	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"3M+2K"	77.926316
"1081047"	188.059808	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2K"	77.926316
"1114989"	377.126892	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2K+H"	78.933592
"1346267"	377.214507	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+DMSO+H"	79.021207
"1016984"	381.253676	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2ACN+H"	83.060376
"1534016"	382.247308	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+IsoProp+Na+H"	84.054008
"1001558"	191.130476	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+2ACN+2H"	84.067652
"1594968"	383.161928	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+K+HCOOH"	84.968628
"1425003"	413.193438	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+H+CF3COOH"	115.000138
"1155291"	211.643751	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+3ACN+2H"	125.094202
"1711283"	430.219985	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+NH4+CF3COOH"	132.026685
"1648145"	435.17538	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+Na+CF3COOH"	136.98208
"1573953"	451.14932	"C15142"	"3-Methoxy-D-homoestra-135(10)8-tetraen-17abeta-ol"	"C20H26O2"	"298.1933"	"M+K+CF3COOH"	152.95602
"814164"	545.9189	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M"	0
"985508"	526.90051	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-H2O-H"	-19.01839
"74844"	362.938657333333	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M-3H"	-3.021828
"507844"	544.911624	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M-3H"	-3.021828
"887832"	180.965690666667	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-3H"	-3.021828
"5313"	544.911624	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M-2H"	-2.014552
"442687"	817.871074	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M-2H"	-2.014552
"818665"	271.952174	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-2H"	-2.014552
"84856"	1090.830524	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M-H"	-1.007276
"519553"	1636.749424	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M-H"	-1.007276
"900033"	544.911624	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-H"	-1.007276
"60973"	1107.857071	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M-2H+NH4"	16.019271
"500533"	1653.775971	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M-2H+NH4"	16.019271
"871774"	561.938171	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-2H+NH4"	16.019271
"32380"	1112.812466	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M-2H+Na"	20.974666
"472176"	1658.731366	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M-2H+Na"	20.974666
"849043"	566.893566	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-2H+Na"	20.974666
"1619512"	566.893566	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Na-2H"	20.974666
"95434"	562.899963	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M-H+Cl"	33.962126
"534591"	835.859413	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M-H+Cl"	33.962126
"928519"	289.940513	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-H+Cl"	33.962126
"271452"	1126.807202	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+Cl"	34.969402
"663874"	1672.726102	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+Cl"	34.969402
"1276275"	580.888302	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Cl"	34.969402
"16646"	1128.786406	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M-2H+K"	36.948606
"456208"	1674.705306	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M-2H+K"	36.948606
"847511"	582.867506	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-2H+K"	36.948606
"1569903"	582.867506	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+K-2H"	36.948606
"955969"	590.917094	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-H+HCOOH"	44.998194
"374546"	1136.836001	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+HCOOH-H"	44.998201
"359528"	1150.851651	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+Hac-H"	59.013851
"1504713"	604.932751	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Hac-H"	59.013851
"969338"	612.899051	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-H+NaCOOH"	66.980151
"120799"	580.888302	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+2Cl"	69.938804
"560722"	853.847752	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+2Cl"	69.938804
"1032439"	307.928852	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2Cl"	69.938804
"1253476"	624.837785	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Br"	78.918885
"1313007"	626.893772	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Cl+HCOOH"	80.974872
"1329412"	648.875729	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Cl+NaCOOH"	102.956829
"921196"	658.904486	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M-H+CF3COOH"	112.985586
"1300458"	694.881164	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Cl+CF3COOH"	148.962264
"1375336"	510.906224	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H-2H2O"	-35.012676
"1391741"	528.9162	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H-H2O"	-17.0027
"291430"	1092.845076	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+H"	1.007276
"691266"	1638.763976	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+H"	1.007276
"1367021"	546.926176	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H"	1.007276
"141386"	546.926176	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+2H"	2.014552
"580316"	819.885626	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+2H"	2.014552
"1052766"	273.966726	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2H"	2.014552
"219735"	364.953209333333	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+3H"	3.021828
"659862"	546.926176	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+3H"	3.021828
"1177014"	182.980242666667	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+3H"	3.021828
"435788"	1109.871623	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+NH4"	18.033823
"797877"	1655.790523	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+NH4"	18.033823
"1695301"	563.952723	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+NH4"	18.033823
"341028"	555.4394495	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+H+NH4"	19.041099
"735636"	828.3988995	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+H+NH4"	19.041099
"1492012"	282.4799995	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H+NH4"	19.041099
"407044"	1114.827018	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+Na"	22.989218
"767309"	1660.745918	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+Na"	22.989218
"1614310"	568.908118	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Na"	22.989218
"329654"	557.917147	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+H+Na"	23.996494
"717859"	830.876597	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+H+Na"	23.996494
"1473867"	284.957697	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H+Na"	23.996494
"1068385"	190.307556666667	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2H+Na"	25.00377
"1272086"	578.952386	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+CH3OH+H"	33.033486
"384099"	1130.800958	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+K"	38.963158
"746185"	1676.719858	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+K"	38.963158
"1544958"	584.882058	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+K"	38.963158
"305414"	565.904117	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+H+K"	39.970434
"697834"	838.863567	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+H+K"	39.970434
"1448378"	292.944667	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H+K"	39.970434
"238074"	1133.871626	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+ACN+H"	42.033826
"1220630"	587.952726	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+ACN+H"	42.033826
"1205607"	294.480001	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+ACN+2H"	43.041102
"200667"	1136.80896	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+2Na-H"	44.97116
"638040"	1682.72786	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+2Na-H"	44.97116
"1137898"	590.89006	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2Na-H"	44.97116
"183742"	568.908118	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+2Na"	45.978436
"624396"	841.867568	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+2Na"	45.978436
"1128267"	295.948668	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2Na"	45.978436
"1407053"	197.634870666667	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H+2Na"	46.985712
"1440261"	592.931646	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H+HCOOH"	47.012746
"229955"	573.94114	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+3H2O+2H"	56.04448
"1520204"	606.98369	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+IsoProp+H"	61.06479
"418797"	576.895088	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+Na+K"	61.952376
"780523"	849.854538	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+Na+K"	61.952376
"1679287"	303.935638	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Na+K"	61.952376
"265574"	1155.853568	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+ACN+Na"	64.015768
"1241153"	609.934668	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+ACN+Na"	64.015768
"1727410"	609.958193	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+NH4+HCOOH"	64.039293
"1193367"	204.962184666667	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+3Na"	68.967654
"1664593"	614.913588	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Na+HCOOH"	68.994688
"172310"	1168.75684	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+2K-H"	76.91904
"611020"	1714.67574	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+2K-H"	76.91904
"1096988"	622.83794	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2K-H"	76.91904
"151617"	584.882058	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"2M+2K"	77.926316
"595433"	857.841508	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"3M+2K"	77.926316
"1081159"	311.922608	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2K"	77.926316
"1111086"	624.852492	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2K+H"	78.933592
"1348567"	624.940107	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+DMSO+H"	79.021207
"1013817"	628.979276	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2ACN+H"	83.060376
"1531943"	629.972908	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+IsoProp+Na+H"	84.054008
"998388"	314.993276	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+2ACN+2H"	84.067652
"1592892"	630.887528	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+K+HCOOH"	84.968628
"1421831"	660.919038	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+H+CF3COOH"	115.000138
"1155399"	335.506551	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+3ACN+2H"	125.094202
"1704951"	677.945585	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+NH4+CF3COOH"	132.026685
"1640600"	682.90098	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+Na+CF3COOH"	136.98208
"1576251"	698.87492	"C15143"	"(2-Butylbenzofuran-3-yl)(4-hydroxy-35-diiodophenyl)ketone"	"C19H16I2O3"	"545.9189"	"M+K+CF3COOH"	152.95602
"808803"	304.2038	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M"	0
"989146"	285.18541	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"77627"	201.795257333333	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"509048"	303.196524	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"887942"	100.393990666667	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"9796"	303.196524	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"443890"	455.298424	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"818775"	151.094624	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"86059"	607.400324	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"520879"	911.604124	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"901237"	303.196524	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"62056"	624.426871	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"499550"	928.630671	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"871884"	320.223071	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"32487"	629.382266	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"471839"	933.586066	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"849477"	325.178466	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1619742"	325.178466	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"96270"	321.184863	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"534862"	473.286763	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"928629"	169.082963	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"271562"	643.377002	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"667264"	947.580802	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1274199"	339.173202	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"16187"	645.356206	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"455686"	949.560006	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"847620"	341.152406	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1570741"	341.152406	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"957418"	349.201994	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"374656"	653.405801	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"359274"	667.421451	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1505554"	363.217651	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"969448"	371.183951	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"121276"	339.173202	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"560833"	491.275102	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1032913"	187.071302	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1253586"	383.122685	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1316033"	385.178672	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1331343"	407.160629	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"921670"	417.189386	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1299473"	453.166064	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1375446"	269.191124	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1392944"	287.2011	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"289354"	609.414876	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"690534"	913.618676	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1363598"	305.211076	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"138676"	305.211076	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"580304"	457.312976	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1052690"	153.109176	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"219438"	203.809809333333	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"659486"	305.211076	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1177976"	102.408542666667	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"436992"	626.441423	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"797987"	930.645223	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1694684"	322.237623	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"341139"	313.7243495	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"733925"	465.8262495	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1491272"	161.6224495	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"407763"	631.396818	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"767055"	935.600618	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1615152"	327.193018	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"328834"	316.202047	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"716878"	468.303947	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1472885"	164.100147	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1067843"	109.735856666667	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1272482"	337.237286	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"383115"	647.370758	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"744108"	951.574558	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1546161"	343.166958	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"305523"	324.189017	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"695758"	476.290917	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1449577"	172.087117	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"238184"	650.441426	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1218552"	346.237626	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1203530"	173.622451	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"197497"	653.37876	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"638150"	957.58256	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1138008"	349.17496	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"182758"	327.193018	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"621952"	479.294918	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1126917"	175.091118	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1409347"	117.063170666667	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1439277"	351.216546	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"231158"	332.22604	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1517034"	365.26859	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"418906"	335.179988	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"780996"	487.281888	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1680370"	183.078088	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"265316"	672.423368	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1241252"	368.219568	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1728086"	368.243093	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1192989"	124.390484666667	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1661787"	373.198488	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"172421"	685.32664	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"607117"	989.53044	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1097098"	381.12284	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"151727"	343.166958	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"596515"	495.268858	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1080176"	191.065058	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1105729"	383.137392	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1346490"	383.225007	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1013927"	387.264176	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1534239"	388.257808	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"998498"	194.135726	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1593002"	389.172428	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1419754"	419.203938	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1155509"	214.649001	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1703967"	436.230485	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1640710"	441.18588	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1575268"	457.15982	"C15144"	"16beta17beta-Dihydroxy-16-methylestr-4-en-3-one"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"805633"	368.1624	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M"	0
"985727"	349.14401	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-H2O-H"	-19.01839
"71783"	244.434324	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M-3H"	-3.021828
"509158"	367.155124	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M-3H"	-3.021828
"885864"	121.713524	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-3H"	-3.021828
"5533"	367.155124	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M-2H"	-2.014552
"445093"	551.236324	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M-2H"	-2.014552
"819614"	183.073924	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-2H"	-2.014552
"87262"	735.317524	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M-H"	-1.007276
"521718"	1103.479924	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M-H"	-1.007276
"901347"	367.155124	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-H"	-1.007276
"60831"	752.344071	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M-2H+NH4"	16.019271
"499660"	1120.506471	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M-2H+NH4"	16.019271
"871994"	384.181671	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-2H+NH4"	16.019271
"32597"	757.299466	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M-2H+Na"	20.974666
"472110"	1125.461866	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M-2H+Na"	20.974666
"849587"	389.137066	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-2H+Na"	20.974666
"1619125"	389.137066	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Na-2H"	20.974666
"95291"	385.143463	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M-H+Cl"	33.962126
"534974"	569.224663	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M-H+Cl"	33.962126
"928738"	201.062263	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-H+Cl"	33.962126
"272765"	771.294202	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+Cl"	34.969402
"662999"	1139.456602	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+Cl"	34.969402
"1274061"	403.131802	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Cl"	34.969402
"17227"	773.273406	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M-2H+K"	36.948606
"456140"	1141.435806	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M-2H+K"	36.948606
"844450"	405.111006	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-2H+K"	36.948606
"1569759"	405.111006	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+K-2H"	36.948606
"956548"	413.160594	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-H+HCOOH"	44.998194
"375489"	781.323001	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+HCOOH-H"	44.998201
"355362"	795.338651	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+Hac-H"	59.013851
"1506028"	427.176251	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Hac-H"	59.013851
"971017"	435.142551	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-H+NaCOOH"	66.980151
"121751"	403.131802	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+2Cl"	69.938804
"560944"	587.213002	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+2Cl"	69.938804
"1033023"	219.050602	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2Cl"	69.938804
"1254789"	447.081285	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Br"	78.918885
"1316508"	449.137272	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Cl+HCOOH"	80.974872
"1331817"	471.119229	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Cl+NaCOOH"	102.956829
"922875"	481.147986	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M-H+CF3COOH"	112.985586
"1301407"	517.124664	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Cl+CF3COOH"	148.962264
"1375556"	333.149724	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H-2H2O"	-35.012676
"1394147"	351.1597	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H-H2O"	-17.0027
"292744"	737.332076	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+H"	1.007276
"690886"	1105.494476	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+H"	1.007276
"1366386"	369.169676	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H"	1.007276
"136596"	369.169676	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+2H"	2.014552
"577255"	553.250876	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+2H"	2.014552
"1052585"	185.088476	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2H"	2.014552
"219716"	246.448876	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+3H"	3.021828
"659716"	369.169676	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+3H"	3.021828
"1178087"	123.728076	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+3H"	3.021828
"439663"	754.358623	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+NH4"	18.033823
"799799"	1122.521023	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+NH4"	18.033823
"1695037"	386.196223	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+NH4"	18.033823
"341248"	377.6829495	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+H+NH4"	19.041099
"737319"	561.7641495	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+H+NH4"	19.041099
"1492360"	193.6017495	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H+NH4"	19.041099
"408209"	759.314018	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+Na"	22.989218
"768869"	1127.476418	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+Na"	22.989218
"1615628"	391.151618	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Na"	22.989218
"328826"	380.160647	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+H+Na"	23.996494
"716989"	564.241847	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+H+Na"	23.996494
"1471902"	196.079447	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H+Na"	23.996494
"1068241"	131.05539	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2H+Na"	25.00377
"1272428"	401.195886	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+CH3OH+H"	33.033486
"379945"	775.287958	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+K"	38.963158
"744218"	1143.450358	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+K"	38.963158
"1550282"	407.125558	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+K"	38.963158
"304540"	388.147617	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+H+K"	39.970434
"695867"	572.228817	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+H+K"	39.970434
"1448593"	204.066417	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H+K"	39.970434
"243763"	778.358626	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+ACN+H"	42.033826
"1217569"	410.196226	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+ACN+H"	42.033826
"1203640"	205.601751	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+ACN+2H"	43.041102
"199793"	781.29596	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+2Na-H"	44.97116
"639355"	1149.45836	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+2Na-H"	44.97116
"1141765"	413.13356	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2Na-H"	44.97116
"185055"	391.151618	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+2Na"	45.978436
"623522"	575.232818	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+2Na"	45.978436
"1128850"	207.070418	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2Na"	45.978436
"1409457"	138.382704	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H+2Na"	46.985712
"1439387"	415.175146	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H+HCOOH"	47.012746
"230175"	396.18464	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+3H2O+2H"	56.04448
"1517144"	429.22719	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+IsoProp+H"	61.06479
"419016"	399.138588	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+Na+K"	61.952376
"780742"	583.219788	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+Na+K"	61.952376
"1681090"	215.057388	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Na+K"	61.952376
"266520"	800.340568	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+ACN+Na"	64.015768
"1240972"	432.178168	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+ACN+Na"	64.015768
"1727750"	432.201693	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+NH4+HCOOH"	64.039293
"1193710"	145.710018	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+3Na"	68.967654
"1665056"	437.157088	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Na+HCOOH"	68.994688
"172489"	813.24384	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+2K-H"	76.91904
"607227"	1181.40624	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+2K-H"	76.91904
"1097208"	445.08144	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2K-H"	76.91904
"151836"	407.125558	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"2M+2K"	77.926316
"593587"	591.206758	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"3M+2K"	77.926316
"1080288"	223.044358	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2K"	77.926316
"1110214"	447.095992	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2K+H"	78.933592
"1343319"	447.183607	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+DMSO+H"	79.021207
"1014037"	451.222776	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2ACN+H"	83.060376
"1537630"	452.216408	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+IsoProp+Na+H"	84.054008
"998609"	226.115026	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+2ACN+2H"	84.067652
"1593112"	453.131028	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+K+HCOOH"	84.968628
"1420958"	483.162538	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+H+CF3COOH"	115.000138
"1155619"	246.628301	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+3ACN+2H"	125.094202
"1706264"	500.189085	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+NH4+CF3COOH"	132.026685
"1640820"	505.14448	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+Na+CF3COOH"	136.98208
"1575378"	521.11842	"C15145"	"44-Bis4-(acetyloxy)phenyl3-hexanone;44-Bis(4-hydroxyphenyl)-3-hexanone diacetate"	"C22H24O5"	"368.1624"	"M+K+CF3COOH"	152.95602
"809023"	326.1882	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M"	0
"985837"	307.16981	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-H2O-H"	-19.01839
"69705"	216.451524	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M-3H"	-3.021828
"506350"	325.180924	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M-3H"	-3.021828
"885975"	107.722124	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-3H"	-3.021828
"2725"	325.180924	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M-2H"	-2.014552
"441921"	488.275024	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M-2H"	-2.014552
"820086"	162.086824	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-2H"	-2.014552
"87372"	651.369124	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M-H"	-1.007276
"524743"	977.557324	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M-H"	-1.007276
"906923"	325.180924	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-H"	-1.007276
"61186"	668.395671	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M-2H+NH4"	16.019271
"500500"	994.583871	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M-2H+NH4"	16.019271
"872104"	342.207471	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-2H+NH4"	16.019271
"34530"	673.351066	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M-2H+Na"	20.974666
"472262"	999.539266	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M-2H+Na"	20.974666
"850184"	347.162866	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-2H+Na"	20.974666
"1620693"	347.162866	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Na-2H"	20.974666
"96128"	343.169263	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M-H+Cl"	33.962126
"536177"	506.263363	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M-H+Cl"	33.962126
"931035"	180.075163	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-H+Cl"	33.962126
"272875"	687.345802	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+Cl"	34.969402
"665295"	1013.534002	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+Cl"	34.969402
"1274776"	361.157602	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Cl"	34.969402
"16729"	689.325006	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M-2H+K"	36.948606
"458724"	1015.513206	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M-2H+K"	36.948606
"840908"	363.136806	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-2H+K"	36.948606
"1562210"	363.136806	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+K-2H"	36.948606
"947176"	371.186394	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-H+HCOOH"	44.998194
"370495"	697.374601	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+HCOOH-H"	44.998201
"350731"	711.390251	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+Hac-H"	59.013851
"1499931"	385.202051	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Hac-H"	59.013851
"970759"	393.168351	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-H+NaCOOH"	66.980151
"121856"	361.157602	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+2Cl"	69.938804
"561783"	524.251702	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+2Cl"	69.938804
"1032769"	198.063502	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2Cl"	69.938804
"1250888"	405.107085	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Br"	78.918885
"1315523"	407.163072	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Cl+HCOOH"	80.974872
"1329739"	429.145029	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Cl+NaCOOH"	102.956829
"922984"	439.173786	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M-H+CF3COOH"	112.985586
"1301879"	475.150464	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Cl+CF3COOH"	148.962264
"1376759"	291.175524	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H-2H2O"	-35.012676
"1390975"	309.1855	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H-H2O"	-17.0027
"290667"	653.383676	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+H"	1.007276
"687472"	979.571876	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+H"	1.007276
"1360538"	327.195476	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H"	1.007276
"132330"	327.195476	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+2H"	2.014552
"578459"	490.289576	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+2H"	2.014552
"1052369"	164.101376	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2H"	2.014552
"218816"	218.466076	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+3H"	3.021828
"659267"	327.195476	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+3H"	3.021828
"1177595"	109.736676	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+3H"	3.021828
"439525"	670.410223	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+NH4"	18.033823
"800521"	996.598423	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+NH4"	18.033823
"1696241"	344.222023	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+NH4"	18.033823
"341722"	335.7087495	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+H+NH4"	19.041099
"737428"	498.8028495	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+H+NH4"	19.041099
"1492110"	172.6146495	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H+NH4"	19.041099
"407868"	675.365618	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+Na"	22.989218
"769101"	1001.553818	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+Na"	22.989218
"1617565"	349.177418	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Na"	22.989218
"329549"	338.186447	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+H+Na"	23.996494
"720257"	501.280547	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+H+Na"	23.996494
"1475292"	175.092347	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H+Na"	23.996494
"1067820"	117.06399	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2H+Na"	25.00377
"1272174"	359.221686	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+CH3OH+H"	33.033486
"381147"	691.339558	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+K"	38.963158
"746513"	1017.527758	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+K"	38.963158
"1551486"	365.151358	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+K"	38.963158
"304650"	346.173417	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+H+K"	39.970434
"697071"	509.267517	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+H+K"	39.970434
"1450889"	183.079317	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H+K"	39.970434
"243864"	694.410226	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+ACN+H"	42.033826
"1217679"	368.222026	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+ACN+H"	42.033826
"1204843"	184.614651	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+ACN+2H"	43.041102
"198447"	697.34756	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+2Na-H"	44.97116
"638373"	1023.53576	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+2Na-H"	44.97116
"1141875"	371.15936	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2Na-H"	44.97116
"184437"	349.177418	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+2Na"	45.978436
"623633"	512.271518	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+2Na"	45.978436
"1128841"	186.083318	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2Na"	45.978436
"1410296"	124.391304	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H+2Na"	46.985712
"1441684"	373.200946	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H+HCOOH"	47.012746
"233201"	354.21044	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+3H2O+2H"	56.04448
"1517254"	387.25299	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+IsoProp+H"	61.06479
"419126"	357.164388	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+Na+K"	61.952376
"781216"	520.258488	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+Na+K"	61.952376
"1679737"	194.070288	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Na+K"	61.952376
"265777"	716.392168	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+ACN+Na"	64.015768
"1240553"	390.203968	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+ACN+Na"	64.015768
"1724947"	390.227493	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+NH4+HCOOH"	64.039293
"1191028"	131.718618	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+3Na"	68.967654
"1664685"	395.182888	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Na+HCOOH"	68.994688
"171422"	729.29544	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+2K-H"	76.91904
"609524"	1055.48364	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+2K-H"	76.91904
"1097318"	403.10724	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2K-H"	76.91904
"151946"	365.151358	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"2M+2K"	77.926316
"593697"	528.245458	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"3M+2K"	77.926316
"1079305"	202.057258	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2K"	77.926316
"1105951"	405.121792	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2K+H"	78.933592
"1344523"	405.209407	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+DMSO+H"	79.021207
"1015240"	409.248576	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2ACN+H"	83.060376
"1535553"	410.242208	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+IsoProp+Na+H"	84.054008
"997625"	205.127926	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+2ACN+2H"	84.067652
"1595409"	411.156828	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+K+HCOOH"	84.968628
"1418881"	441.188338	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+H+CF3COOH"	115.000138
"1152449"	225.641201	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+3ACN+2H"	125.094202
"1703094"	458.214885	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+NH4+CF3COOH"	132.026685
"1640930"	463.17028	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+Na+CF3COOH"	136.98208
"1576581"	479.14422	"C15146"	"Pregna-416-diene-31120-trione"	"C21H26O3"	"326.1882"	"M+K+CF3COOH"	152.95602
"805853"	332.1788	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M"	0
"985947"	313.16041	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H2O-H"	-19.01839
"68722"	220.445257333333	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-3H"	-3.021828
"506096"	331.171524	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-3H"	-3.021828
"883899"	109.718990666667	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-3H"	-3.021828
"2106"	331.171524	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H"	-2.014552
"442396"	497.260924	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H"	-2.014552
"820561"	165.082124	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H"	-2.014552
"81646"	663.350324	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-H"	-1.007276
"523031"	995.529124	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-H"	-1.007276
"908127"	331.171524	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H"	-1.007276
"55944"	680.376871	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H+NH4"	16.019271
"500852"	1012.555671	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H+NH4"	16.019271
"872214"	348.198071	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H+NH4"	16.019271
"33911"	685.332266	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H+Na"	20.974666
"472740"	1017.511066	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H+Na"	20.974666
"849815"	353.153466	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H+Na"	20.974666
"1621900"	353.153466	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na-2H"	20.974666
"97700"	349.159863	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-H+Cl"	33.962126
"536899"	515.249263	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-H+Cl"	33.962126
"931873"	183.070463	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+Cl"	33.962126
"272255"	699.327002	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Cl"	34.969402
"664312"	1031.505802	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+Cl"	34.969402
"1275981"	367.148202	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl"	34.969402
"17324"	701.306206	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M-2H+K"	36.948606
"459198"	1033.485006	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M-2H+K"	36.948606
"838830"	369.127406	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-2H+K"	36.948606
"1563412"	369.127406	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K-2H"	36.948606
"949108"	377.176994	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+HCOOH"	44.998194
"367324"	709.355801	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+HCOOH-H"	44.998201
"349747"	723.371451	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Hac-H"	59.013851
"1501132"	391.192651	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Hac-H"	59.013851
"966487"	399.158951	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+NaCOOH"	66.980151
"123426"	367.148202	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2Cl"	69.938804
"562986"	533.237602	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2Cl"	69.938804
"1035066"	201.058802	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2Cl"	69.938804
"1248810"	411.097685	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Br"	78.918885
"1314539"	413.153672	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl+HCOOH"	80.974872
"1332035"	435.135629	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl+NaCOOH"	102.956829
"923093"	445.164386	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M-H+CF3COOH"	112.985586
"1297615"	481.141064	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Cl+CF3COOH"	148.962264
"1373589"	297.166124	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H-2H2O"	-35.012676
"1387076"	315.1761	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H-H2O"	-17.0027
"295151"	665.364876	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H"	1.007276
"689402"	997.543676	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H"	1.007276
"1363561"	333.186076	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H"	1.007276
"132440"	333.186076	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2H"	2.014552
"579662"	499.275476	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2H"	2.014552
"1052486"	167.096676	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2H"	2.014552
"219943"	222.459809333333	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+3H"	3.021828
"659896"	333.186076	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+3H"	3.021828
"1178404"	111.733542666667	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+3H"	3.021828
"438415"	682.391423	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+NH4"	18.033823
"800139"	1014.570223	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+NH4"	18.033823
"1696965"	350.212623	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+NH4"	18.033823
"345445"	341.6993495	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H+NH4"	19.041099
"738311"	507.7887495	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H+NH4"	19.041099
"1492636"	175.6099495	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+NH4"	19.041099
"408220"	687.346818	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Na"	22.989218
"769835"	1019.525618	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+Na"	22.989218
"1617910"	355.168018	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na"	22.989218
"326974"	344.177047	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H+Na"	23.996494
"718301"	510.266447	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H+Na"	23.996494
"1476374"	178.087647	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+Na"	23.996494
"1066468"	119.060856666667	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2H+Na"	25.00377
"1271310"	365.212286	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+CH3OH+H"	33.033486
"382350"	703.320758	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+K"	38.963158
"743344"	1035.499558	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+K"	38.963158
"1547584"	371.141958	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K"	38.963158
"301477"	352.164017	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+H+K"	39.970434
"696085"	518.253417	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+H+K"	39.970434
"1448083"	186.074617	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+K"	39.970434
"238142"	706.391426	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+ACN+H"	42.033826
"1218881"	374.212626	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+ACN+H"	42.033826
"1203861"	187.609951	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+ACN+2H"	43.041102
"198558"	709.32876	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2Na-H"	44.97116
"638482"	1041.50756	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2Na-H"	44.97116
"1139798"	377.14996	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2Na-H"	44.97116
"181995"	355.168018	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2Na"	45.978436
"622648"	521.257418	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2Na"	45.978436
"1124331"	189.078618	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2Na"	45.978436
"1407490"	126.388170666667	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+2Na"	46.985712
"1437421"	379.191546	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+HCOOH"	47.012746
"228208"	360.20104	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+3H2O+2H"	56.04448
"1514084"	393.24359	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+IsoProp+H"	61.06479
"419236"	363.154988	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+Na+K"	61.952376
"779140"	529.244388	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+Na+K"	61.952376
"1676568"	197.065588	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na+K"	61.952376
"265277"	728.373368	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+ACN+Na"	64.015768
"1240540"	396.194568	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+ACN+Na"	64.015768
"1727238"	396.218093	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+NH4+HCOOH"	64.039293
"1191133"	133.715484666667	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+3Na"	68.967654
"1664305"	401.173488	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na+HCOOH"	68.994688
"170442"	741.27664	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2K-H"	76.91904
"609273"	1073.45544	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2K-H"	76.91904
"1096338"	409.09784	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2K-H"	76.91904
"155582"	371.141958	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"2M+2K"	77.926316
"590527"	537.231358	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"3M+2K"	77.926316
"1076134"	205.052558	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2K"	77.926316
"1107154"	411.112392	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2K+H"	78.933592
"1344632"	411.200007	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+DMSO+H"	79.021207
"1014256"	415.239176	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2ACN+H"	83.060376
"1533475"	416.232808	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+IsoProp+Na+H"	84.054008
"998828"	208.123226	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+2ACN+2H"	84.067652
"1593332"	417.147428	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K+HCOOH"	84.968628
"1418991"	447.178938	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+H+CF3COOH"	115.000138
"1156933"	228.636501	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+3ACN+2H"	125.094202
"1708671"	464.205485	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+NH4+CF3COOH"	132.026685
"1641040"	469.16088	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+Na+CF3COOH"	136.98208
"1576691"	485.13482	"C15147"	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-14-diene-317-dione"	"C20H25FO3"	"332.1788"	"M+K+CF3COOH"	152.95602
"805963"	360.2101	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M"	0
"982777"	341.19171	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-H2O-H"	-19.01839
"64822"	239.132790666667	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M-3H"	-3.021828
"505113"	359.202824	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M-3H"	-3.021828
"883643"	119.062757333333	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-3H"	-3.021828
"225"	359.202824	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M-2H"	-2.014552
"440110"	539.307874	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M-2H"	-2.014552
"818483"	179.097774	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-2H"	-2.014552
"79203"	719.412924	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M-H"	-1.007276
"520589"	1079.623024	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M-H"	-1.007276
"907143"	359.202824	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-H"	-1.007276
"56054"	736.439471	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M-2H+NH4"	16.019271
"497803"	1096.649571	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M-2H+NH4"	16.019271
"872324"	376.229371	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-2H+NH4"	16.019271
"34022"	741.394866	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M-2H+Na"	20.974666
"472608"	1101.604966	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M-2H+Na"	20.974666
"849925"	381.184766	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-2H+Na"	20.974666
"1620917"	381.184766	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Na-2H"	20.974666
"97445"	377.191163	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M-H+Cl"	33.962126
"535186"	557.296213	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M-H+Cl"	33.962126
"930890"	197.086113	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-H+Cl"	33.962126
"269447"	755.389602	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+Cl"	34.969402
"663329"	1115.599702	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+Cl"	34.969402
"1274391"	395.179502	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Cl"	34.969402
"16096"	757.368806	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M-2H+K"	36.948606
"457486"	1117.578906	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M-2H+K"	36.948606
"836753"	397.158706	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-2H+K"	36.948606
"1559511"	397.158706	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+K-2H"	36.948606
"947395"	405.208294	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-H+HCOOH"	44.998194
"366703"	765.418401	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+HCOOH-H"	44.998201
"348031"	779.434051	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+Hac-H"	59.013851
"1499783"	419.223951	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Hac-H"	59.013851
"967690"	427.190251	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-H+NaCOOH"	66.980151
"116603"	395.179502	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+2Cl"	69.938804
"562732"	575.284552	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+2Cl"	69.938804
"1032989"	215.074452	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2Cl"	69.938804
"1251108"	439.128985	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Br"	78.918885
"1314649"	441.184972	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Cl+HCOOH"	80.974872
"1331052"	463.166929	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Cl+NaCOOH"	102.956829
"923933"	473.195686	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M-H+CF3COOH"	112.985586
"1299912"	509.172364	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Cl+CF3COOH"	148.962264
"1374792"	325.197424	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H-2H2O"	-35.012676
"1388279"	343.2074	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H-H2O"	-17.0027
"295261"	721.427476	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+H"	1.007276
"690605"	1081.637576	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+H"	1.007276
"1361848"	361.217376	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H"	1.007276
"131456"	361.217376	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+2H"	2.014552
"581031"	541.322426	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+2H"	2.014552
"1052551"	181.112326	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2H"	2.014552
"219952"	241.147342666667	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+3H"	3.021828
"659436"	361.217376	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+3H"	3.021828
"1176347"	121.077309333333	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+3H"	3.021828
"438528"	738.454023	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+NH4"	18.033823
"800861"	1098.664123	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+NH4"	18.033823
"1696872"	378.243923	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+NH4"	18.033823
"342309"	369.7306495	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+H+NH4"	19.041099
"737890"	549.8356995	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+H+NH4"	19.041099
"1491710"	189.6255995	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H+NH4"	19.041099
"406500"	743.409418	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+Na"	22.989218
"769561"	1103.619518	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+Na"	22.989218
"1617780"	383.199318	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Na"	22.989218
"328913"	372.208347	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+H+Na"	23.996494
"721450"	552.313397	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+H+Na"	23.996494
"1476405"	192.103297	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H+Na"	23.996494
"1067793"	128.404623333333	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2H+Na"	25.00377
"1271420"	393.243586	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+CH3OH+H"	33.033486
"381367"	759.383358	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+K"	38.963158
"742362"	1119.593458	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+K"	38.963158
"1547693"	399.173258	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+K"	38.963158
"304867"	380.195317	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+H+K"	39.970434
"695103"	560.300367	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+H+K"	39.970434
"1450019"	200.090267	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H+K"	39.970434
"237889"	762.454026	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+ACN+H"	42.033826
"1218991"	402.243926	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+ACN+H"	42.033826
"1205063"	201.625601	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+ACN+2H"	43.041102
"200124"	765.39136	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+2Na-H"	44.97116
"638592"	1125.60146	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+2Na-H"	44.97116
"1143188"	405.18126	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2Na-H"	44.97116
"182105"	383.199318	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+2Na"	45.978436
"620571"	563.304368	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+2Na"	45.978436
"1126265"	203.094268	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2Na"	45.978436
"1404319"	135.731937333333	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H+2Na"	46.985712
"1439719"	407.222846	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H+HCOOH"	47.012746
"232692"	388.23234	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+3H2O+2H"	56.04448
"1519662"	421.27489	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+IsoProp+H"	61.06479
"422262"	391.186288	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+Na+K"	61.952376
"781072"	571.291338	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+Na+K"	61.952376
"1676678"	211.081238	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Na+K"	61.952376
"266686"	784.435968	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+ACN+Na"	64.015768
"1240774"	424.225868	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+ACN+Na"	64.015768
"1727592"	424.249393	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+NH4+HCOOH"	64.039293
"1193428"	143.059251333333	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+3Na"	68.967654
"1664414"	429.204788	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Na+HCOOH"	68.994688
"170432"	797.33924	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+2K-H"	76.91904
"610720"	1157.54934	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+2K-H"	76.91904
"1098146"	437.12914	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2K-H"	76.91904
"154963"	399.173258	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"2M+2K"	77.926316
"590637"	579.278308	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"3M+2K"	77.926316
"1076244"	219.068208	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2K"	77.926316
"1106171"	439.143692	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2K+H"	78.933592
"1343649"	439.231307	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+DMSO+H"	79.021207
"1014366"	443.270476	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2ACN+H"	83.060376
"1533586"	444.264108	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+IsoProp+Na+H"	84.054008
"997845"	222.138876	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+2ACN+2H"	84.067652
"1593442"	445.178728	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+K+HCOOH"	84.968628
"1422381"	475.210238	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+H+CF3COOH"	115.000138
"1157043"	242.652151	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+3ACN+2H"	125.094202
"1707688"	492.236785	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+NH4+CF3COOH"	132.026685
"1641150"	497.19218	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+Na+CF3COOH"	136.98208
"1576801"	513.16612	"C15148"	"9-Fluoro-16alpha-methylpregn-4-ene-31120-trione"	"C22H29FO3"	"360.2101"	"M+K+CF3COOH"	152.95602
"806073"	329.2355	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M"	0
"982887"	310.21711	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-H2O-H"	-19.01839
"67848"	218.483057333333	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M-3H"	-3.021828
"504130"	328.228224	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M-3H"	-3.021828
"879954"	108.737890666667	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-3H"	-3.021828
"254"	328.228224	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M-2H"	-2.014552
"440666"	492.845974	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M-2H"	-2.014552
"817497"	163.610474	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-2H"	-2.014552
"80041"	657.463724	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M-H"	-1.007276
"519606"	986.699224	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M-H"	-1.007276
"897774"	328.228224	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-H"	-1.007276
"56164"	674.490271	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M-2H+NH4"	16.019271
"495726"	1003.725771	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M-2H+NH4"	16.019271
"872433"	345.254771	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-2H+NH4"	16.019271
"33407"	679.445666	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M-2H+Na"	20.974666
"472600"	1008.681166	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M-2H+Na"	20.974666
"849309"	350.210166	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-2H+Na"	20.974666
"1620300"	350.210166	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Na-2H"	20.974666
"96099"	346.216563	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M-H+Cl"	33.962126
"534483"	510.834313	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M-H+Cl"	33.962126
"930272"	181.598813	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-H+Cl"	33.962126
"272111"	693.440402	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+Cl"	34.969402
"665626"	1022.675902	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+Cl"	34.969402
"1273000"	364.204902	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Cl"	34.969402
"15881"	695.419606	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M-2H+K"	36.948606
"460148"	1024.655106	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M-2H+K"	36.948606
"840142"	366.184106	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-2H+K"	36.948606
"1559258"	366.184106	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+K-2H"	36.948606
"948234"	374.233694	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-H+HCOOH"	44.998194
"364625"	703.469201	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+HCOOH-H"	44.998201
"345945"	717.484851	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+Hac-H"	59.013851
"1493001"	388.249351	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Hac-H"	59.013851
"958672"	396.215651	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-H+NaCOOH"	66.980151
"118900"	364.204902	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+2Cl"	69.938804
"563208"	528.822652	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+2Cl"	69.938804
"1031640"	199.587152	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2Cl"	69.938804
"1251218"	408.154385	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Br"	78.918885
"1314760"	410.210372	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Cl+HCOOH"	80.974872
"1331161"	432.192329	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Cl+NaCOOH"	102.956829
"920033"	442.221086	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M-H+CF3COOH"	112.985586
"1297835"	478.197764	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Cl+CF3COOH"	148.962264
"1374902"	294.222824	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H-2H2O"	-35.012676
"1388389"	312.2328	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H-H2O"	-17.0027
"296830"	659.478276	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+H"	1.007276
"690351"	988.713776	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+H"	1.007276
"1363052"	330.242776	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H"	1.007276
"134847"	330.242776	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+2H"	2.014552
"581023"	494.860526	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+2H"	2.014552
"1052051"	165.625026	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2H"	2.014552
"219263"	220.497609333333	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+3H"	3.021828
"659227"	330.242776	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+3H"	3.021828
"1177192"	110.752442666667	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+3H"	3.021828
"439620"	676.504823	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+NH4"	18.033823
"800972"	1005.740323	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+NH4"	18.033823
"1696336"	347.269323	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+NH4"	18.033823
"345544"	338.7560495	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+H+NH4"	19.041099
"738290"	503.3737995	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+H+NH4"	19.041099
"1492353"	174.1382995	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H+NH4"	19.041099
"408236"	681.460218	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+Na"	22.989218
"769515"	1010.695718	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+Na"	22.989218
"1618220"	352.224718	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Na"	22.989218
"329709"	341.233747	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+H+Na"	23.996494
"719616"	505.851497	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+H+Na"	23.996494
"1475623"	176.615997	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H+Na"	23.996494
"1068027"	118.079756666667	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2H+Na"	25.00377
"1270559"	362.268986	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+CH3OH+H"	33.033486
"381477"	697.434158	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+K"	38.963158
"742471"	1026.669658	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+K"	38.963158
"1547806"	368.198658	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+K"	38.963158
"306074"	349.220717	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+H+K"	39.970434
"699588"	513.838467	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+H+K"	39.970434
"1451221"	184.602967	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H+K"	39.970434
"237635"	700.504826	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+ACN+H"	42.033826
"1219100"	371.269326	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+ACN+H"	42.033826
"1201893"	186.138301	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+ACN+2H"	43.041102
"201328"	703.44216	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+2Na-H"	44.97116
"637607"	1032.67766	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+2Na-H"	44.97116
"1144391"	374.20666	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2Na-H"	44.97116
"184769"	352.224718	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+2Na"	45.978436
"625055"	516.842468	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+2Na"	45.978436
"1128927"	187.606968	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2Na"	45.978436
"1406616"	125.407070666667	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H+2Na"	46.985712
"1440922"	376.248246	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H+HCOOH"	47.012746
"233167"	357.25774	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+3H2O+2H"	56.04448
"1519771"	390.30029	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+IsoProp+H"	61.06479
"422374"	360.211688	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+Na+K"	61.952376
"782275"	524.829438	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+Na+K"	61.952376
"1678610"	195.593938	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Na+K"	61.952376
"261122"	722.486768	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+ACN+Na"	64.015768
"1237110"	393.251268	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+ACN+Na"	64.015768
"1727217"	393.274793	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+NH4+HCOOH"	64.039293
"1191351"	132.734384666667	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+3Na"	68.967654
"1664892"	398.230188	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Na+HCOOH"	68.994688
"169932"	735.39004	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+2K-H"	76.91904
"611919"	1064.62554	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+2K-H"	76.91904
"1098377"	406.15454	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2K-H"	76.91904
"148996"	368.198658	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"2M+2K"	77.926316
"587466"	532.816408	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"3M+2K"	77.926316
"1078539"	203.580908	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2K"	77.926316
"1111748"	408.169092	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2K+H"	78.933592
"1342665"	408.256707	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+DMSO+H"	79.021207
"1014476"	412.295876	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2ACN+H"	83.060376
"1535883"	413.289508	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+IsoProp+Na+H"	84.054008
"999049"	206.651576	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+2ACN+2H"	84.067652
"1592459"	414.204128	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+K+HCOOH"	84.968628
"1421398"	444.235638	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+H+CF3COOH"	115.000138
"1158246"	227.164851	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+3ACN+2H"	125.094202
"1707798"	461.262185	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+NH4+CF3COOH"	132.026685
"1641260"	466.21758	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+Na+CF3COOH"	136.98208
"1576911"	482.19152	"C15149"	"17beta-Acetamidoandrost-4-en-3-one"	"C21H31NO2"	"329.2355"	"M+K+CF3COOH"	152.95602
"806183"	300.1725	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M"	0
"982997"	281.15411	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"66865"	199.107724	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"503874"	299.165224	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"880162"	99.050224	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"359"	299.165224	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"440031"	449.251474	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"817102"	149.078974	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"79787"	599.337724	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"520808"	899.510224	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"898977"	299.165224	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"57367"	616.364271	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"494743"	916.536771	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"869263"	316.191771	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"34606"	621.319666	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"471979"	921.492166	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"850510"	321.147166	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1618948"	321.147166	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"95115"	317.153563	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"537231"	467.239813	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"931475"	167.067313	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"269062"	635.314402	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"662456"	935.486902	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1274007"	335.141902	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"15851"	637.293606	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"456853"	937.466106	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"839159"	337.121106	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1558639"	337.121106	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"948344"	345.170694	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"363640"	645.343201	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"345812"	659.358851	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1493192"	359.186351	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"958506"	367.152651	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"117187"	335.141902	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"562587"	485.228152	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1031750"	185.055652	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1251327"	379.091385	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1313775"	381.147372	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1330177"	403.129329	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"920143"	413.158086	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1295758"	449.134764	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1376105"	265.159824	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1385217"	283.1698	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"296940"	601.352276	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"690461"	901.524776	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1365348"	301.179776	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"137143"	301.179776	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"581290"	451.266026	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1052673"	151.093526	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"219826"	201.122276	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"659912"	301.179776	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1178395"	101.064776	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"439731"	618.378823	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"801275"	918.551323	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1696847"	318.206323	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"345329"	309.6930495	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"738401"	459.7792995	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1492651"	159.6067995	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"408385"	623.334218	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"768078"	923.506718	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1617760"	323.161718	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"329498"	312.170747	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"720820"	462.256997	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1474639"	162.084497	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1067163"	108.39209	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1271033"	333.205986	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"381589"	639.308158	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"746955"	939.480658	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1549008"	339.135658	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"306185"	320.157717	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"698606"	470.243967	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1453518"	170.071467	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"237381"	642.378826	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1219210"	342.206326	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1203094"	171.606801	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"199977"	645.31616	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"638810"	945.48866	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1142315"	345.14366	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"185970"	323.161718	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"624801"	473.247968	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1126484"	173.075468	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1410007"	115.719404	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1441031"	347.185246	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"227444"	328.19474	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1521703"	361.23729	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"419566"	331.148688	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"779469"	481.234938	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1677990"	181.062438	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"260139"	664.360768	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1238313"	364.188268	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1728213"	364.211793	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1188181"	123.046718	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1661353"	369.167188	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"172350"	677.26404	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"609964"	977.43654	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1097758"	377.09154	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"145826"	339.135658	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"590856"	489.221908	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1080836"	189.049408	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1111858"	379.106092	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1342775"	379.193707	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1016773"	383.232876	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1534900"	384.226508	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"998066"	192.120076	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1593661"	385.141128	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1421508"	415.172638	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1158356"	212.633351	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1707908"	432.199185	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1641370"	437.15458	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1577021"	453.12852	"C15150"	"14-Hydroxyandrosta-14-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"806293"	318.1831	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M"	0
"983107"	299.16471	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-H2O-H"	-19.01839
"66975"	211.114790666667	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M-3H"	-3.021828
"503619"	317.175824	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M-3H"	-3.021828
"881414"	105.053757333333	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-3H"	-3.021828
"1813"	317.175824	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M-2H"	-2.014552
"441374"	476.267374	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M-2H"	-2.014552
"820267"	158.084274	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-2H"	-2.014552
"82083"	635.358924	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M-H"	-1.007276
"520918"	953.542024	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M-H"	-1.007276
"897016"	317.175824	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-H"	-1.007276
"58571"	652.385471	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M-2H+NH4"	16.019271
"493757"	970.568571	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M-2H+NH4"	16.019271
"866818"	334.202371	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-2H+NH4"	16.019271
"34717"	657.340866	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M-2H+Na"	20.974666
"473553"	975.523966	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M-2H+Na"	20.974666
"850620"	339.157766	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-2H+Na"	20.974666
"1620154"	339.157766	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Na-2H"	20.974666
"97412"	335.164163	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M-H+Cl"	33.962126
"535884"	494.255713	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M-H+Cl"	33.962126
"935960"	176.072613	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-H+Cl"	33.962126
"269052"	671.335602	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+Cl"	34.969402
"662566"	989.518702	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+Cl"	34.969402
"1273876"	353.152502	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Cl"	34.969402
"16060"	673.314806	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M-2H+K"	36.948606
"457087"	991.497906	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M-2H+K"	36.948606
"838176"	355.131706	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-2H+K"	36.948606
"1560207"	355.131706	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+K-2H"	36.948606
"948454"	363.181294	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-H+HCOOH"	44.998194
"362658"	681.364401	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+HCOOH-H"	44.998201
"346212"	695.380051	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+Hac-H"	59.013851
"1494276"	377.196951	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Hac-H"	59.013851
"961452"	385.163251	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-H+NaCOOH"	66.980151
"115838"	353.152502	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+2Cl"	69.938804
"561968"	512.244052	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+2Cl"	69.938804
"1030767"	194.060952	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2Cl"	69.938804
"1250344"	397.101985	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Br"	78.918885
"1312792"	399.157972	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Cl+HCOOH"	80.974872
"1328101"	421.139929	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Cl+NaCOOH"	102.956829
"921347"	431.168686	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M-H+CF3COOH"	112.985586
"1294775"	467.145364	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Cl+CF3COOH"	148.962264
"1372935"	283.170424	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H-2H2O"	-35.012676
"1391527"	301.1804	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H-H2O"	-17.0027
"297657"	637.373476	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+H"	1.007276
"689478"	955.556576	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+H"	1.007276
"1365094"	319.190376	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H"	1.007276
"137253"	319.190376	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+2H"	2.014552
"580589"	478.281926	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+2H"	2.014552
"1052187"	160.098826	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2H"	2.014552
"219806"	213.129342666667	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+3H"	3.021828
"659488"	319.190376	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+3H"	3.021828
"1177531"	107.068309333333	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+3H"	3.021828
"439227"	654.400023	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+NH4"	18.033823
"800583"	972.583123	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+NH4"	18.033823
"1696551"	336.216923	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+NH4"	18.033823
"344708"	327.7036495	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+H+NH4"	19.041099
"738061"	486.7951995	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+H+NH4"	19.041099
"1491801"	168.6120995	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H+NH4"	19.041099
"407564"	659.355418	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+Na"	22.989218
"768917"	977.538518	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+Na"	22.989218
"1617383"	341.172318	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Na"	22.989218
"329364"	330.181347	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+H+Na"	23.996494
"721781"	489.272897	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+H+Na"	23.996494
"1474628"	171.089797	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H+Na"	23.996494
"1064721"	114.395623333333	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2H+Na"	25.00377
"1266405"	351.216586	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+CH3OH+H"	33.033486
"381698"	675.329358	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+K"	38.963158
"743785"	993.512458	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+K"	38.963158
"1548025"	357.146258	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+K"	38.963158
"305202"	338.168317	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+H+K"	39.970434
"697623"	497.259867	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+H+K"	39.970434
"1450350"	179.076767	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H+K"	39.970434
"236885"	678.400026	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+ACN+H"	42.033826
"1217134"	360.216926	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+ACN+H"	42.033826
"1201017"	180.612101	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+ACN+2H"	43.041102
"192793"	681.33736	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+2Na-H"	44.97116
"636733"	999.52046	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+2Na-H"	44.97116
"1142425"	363.15426	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2Na-H"	44.97116
"184987"	341.172318	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+2Na"	45.978436
"626368"	500.263868	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+2Na"	45.978436
"1126594"	182.080768	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2Na"	45.978436
"1410117"	121.722937333333	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H+2Na"	46.985712
"1443692"	365.195846	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H+HCOOH"	47.012746
"227554"	346.20534	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+3H2O+2H"	56.04448
"1521084"	379.24789	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+IsoProp+H"	61.06479
"422956"	349.159288	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+Na+K"	61.952376
"779579"	508.250838	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+Na+K"	61.952376
"1676643"	190.067738	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Na+K"	61.952376
"262435"	700.381968	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+ACN+Na"	64.015768
"1238423"	382.198868	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+ACN+Na"	64.015768
"1727310"	382.222393	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+NH4+HCOOH"	64.039293
"1191571"	129.050251333333	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+3Na"	68.967654
"1665393"	387.177788	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Na+HCOOH"	68.994688
"170881"	713.28524	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+2K-H"	76.91904
"608980"	1031.46834	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+2K-H"	76.91904
"1097140"	395.10214	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2K-H"	76.91904
"150309"	357.146258	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"2M+2K"	77.926316
"590966"	516.237808	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"3M+2K"	77.926316
"1076573"	198.054708	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2K"	77.926316
"1107595"	397.116692	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2K+H"	78.933592
"1343979"	397.204307	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+DMSO+H"	79.021207
"1006067"	401.243476	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2ACN+H"	83.060376
"1528447"	402.237108	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+IsoProp+Na+H"	84.054008
"997082"	201.125376	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+2ACN+2H"	84.067652
"1588302"	403.151728	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+K+HCOOH"	84.968628
"1418335"	433.183238	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+H+CF3COOH"	115.000138
"1156279"	221.638651	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+3ACN+2H"	125.094202
"1709111"	450.209785	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+NH4+CF3COOH"	132.026685
"1644760"	455.16518	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+Na+CF3COOH"	136.98208
"1577131"	471.13912	"C15151"	"17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate"	"C19H26O4"	"318.1831"	"M+K+CF3COOH"	152.95602
"809686"	350.2057	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M"	0
"983220"	331.18731	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-H2O-H"	-19.01839
"67086"	232.463190666667	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M-3H"	-3.021828
"508833"	349.198424	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M-3H"	-3.021828
"884450"	115.727957333333	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-3H"	-3.021828
"6307"	349.198424	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M-2H"	-2.014552
"452429"	524.301274	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M-2H"	-2.014552
"822575"	174.095574	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-2H"	-2.014552
"93142"	699.404124	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M-H"	-1.007276
"527595"	1049.609824	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M-H"	-1.007276
"907589"	349.198424	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-H"	-1.007276
"59777"	716.430671	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M-2H+NH4"	16.019271
"493870"	1066.636371	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M-2H+NH4"	16.019271
"878237"	366.224971	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-2H+NH4"	16.019271
"45769"	721.386066	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M-2H+Na"	20.974666
"483506"	1071.591766	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M-2H+Na"	20.974666
"862770"	371.180366	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-2H+Na"	20.974666
"1625373"	371.180366	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Na-2H"	20.974666
"98621"	367.186763	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M-H+Cl"	33.962126
"535994"	542.289613	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M-H+Cl"	33.962126
"933887"	192.083913	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-H+Cl"	33.962126
"272446"	735.380802	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+Cl"	34.969402
"663773"	1085.586502	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+Cl"	34.969402
"1280553"	385.175102	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Cl"	34.969402
"20921"	737.360006	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M-2H+K"	36.948606
"460479"	1087.565706	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M-2H+K"	36.948606
"841570"	387.154306	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-2H+K"	36.948606
"1564692"	387.154306	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+K-2H"	36.948606
"947835"	395.203894	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-H+HCOOH"	44.998194
"366416"	745.409601	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+HCOOH-H"	44.998201
"351393"	759.425251	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+Hac-H"	59.013851
"1496943"	409.219551	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Hac-H"	59.013851
"963391"	417.185851	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-H+NaCOOH"	66.980151
"117043"	385.175102	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+2Cl"	69.938804
"562081"	560.277952	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+2Cl"	69.938804
"1034159"	210.072252	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2Cl"	69.938804
"1253740"	429.124585	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Br"	78.918885
"1318009"	431.180572	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Cl+HCOOH"	80.974872
"1329306"	453.162529	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Cl+NaCOOH"	102.956829
"924621"	463.191286	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M-H+CF3COOH"	112.985586
"1301449"	499.167964	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Cl+CF3COOH"	148.962264
"1379611"	315.193024	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H-2H2O"	-35.012676
"1398084"	333.203	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H-H2O"	-17.0027
"295705"	701.418676	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+H"	1.007276
"688133"	1051.624376	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+H"	1.007276
"1366306"	351.212976	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H"	1.007276
"140652"	351.212976	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+2H"	2.014552
"580779"	526.315826	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+2H"	2.014552
"1052295"	176.110126	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2H"	2.014552
"219100"	234.477742666667	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+3H"	3.021828
"658908"	351.212976	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+3H"	3.021828
"1177759"	117.742509333333	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+3H"	3.021828
"439412"	718.445223	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+NH4"	18.033823
"801183"	1068.650923	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+NH4"	18.033823
"1696376"	368.239523	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+NH4"	18.033823
"345227"	359.7262495	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+H+NH4"	19.041099
"738295"	534.8290995	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+H+NH4"	19.041099
"1492277"	184.6233995	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H+NH4"	19.041099
"406818"	723.400618	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+Na"	22.989218
"766110"	1073.606318	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+Na"	22.989218
"1613115"	373.194918	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Na"	22.989218
"327166"	362.203947	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+H+Na"	23.996494
"717763"	537.306797	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+H+Na"	23.996494
"1472684"	187.101097	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H+Na"	23.996494
"1058274"	125.069823333333	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2H+Na"	25.00377
"1263234"	383.239186	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+CH3OH+H"	33.033486
"382900"	739.374558	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+K"	38.963158
"744991"	1089.580258	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+K"	38.963158
"1540848"	389.168858	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+K"	38.963158
"300209"	370.190917	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+H+K"	39.970434
"694456"	545.293767	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+H+K"	39.970434
"1450464"	195.088067	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H+K"	39.970434
"244534"	742.445226	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+ACN+H"	42.033826
"1219432"	392.239526	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+ACN+H"	42.033826
"1198941"	196.623401	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+ACN+2H"	43.041102
"200199"	745.38256	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+2Na-H"	44.97116
"641583"	1095.58826	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+2Na-H"	44.97116
"1141443"	395.17686	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2Na-H"	44.97116
"184732"	373.194918	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+2Na"	45.978436
"626479"	548.297768	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+2Na"	45.978436
"1125614"	198.092068	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2Na"	45.978436
"1409137"	132.397137333333	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H+2Na"	46.985712
"1444897"	397.218446	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H+HCOOH"	47.012746
"233133"	378.22794	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+3H2O+2H"	56.04448
"1519008"	411.27049	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+IsoProp+H"	61.06479
"418696"	381.181888	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+Na+K"	61.952376
"783701"	556.284738	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+Na+K"	61.952376
"1677118"	206.079038	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Na+K"	61.952376
"262913"	764.427168	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+ACN+Na"	64.015768
"1237078"	414.221468	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+ACN+Na"	64.015768
"1724874"	414.244993	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+NH4+HCOOH"	64.039293
"1185129"	139.724451333333	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+3Na"	68.967654
"1660120"	419.200388	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Na+HCOOH"	68.994688
"164066"	777.33044	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+2K-H"	76.91904
"602535"	1127.53614	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+2K-H"	76.91904
"1086318"	427.12474	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2K-H"	76.91904
"147875"	389.168858	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"2M+2K"	77.926316
"587797"	564.271708	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"3M+2K"	77.926316
"1074496"	214.066008	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2K"	77.926316
"1105518"	429.139292	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2K+H"	78.933592
"1338622"	429.226907	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+DMSO+H"	79.021207
"1005768"	433.266076	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2ACN+H"	83.060376
"1526490"	434.259708	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+IsoProp+Na+H"	84.054008
"999376"	217.136676	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+2ACN+2H"	84.067652
"1588535"	435.174328	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+K+HCOOH"	84.968628
"1426102"	465.205838	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+H+CF3COOH"	115.000138
"1159667"	237.649951	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+3ACN+2H"	125.094202
"1703752"	482.232385	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+NH4+CF3COOH"	132.026685
"1644870"	487.18778	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+Na+CF3COOH"	136.98208
"1572866"	503.16172	"C15152"	"44-Difluoropregn-5-ene-320-dione"	"C21H28F2O2"	"350.2057"	"M+K+CF3COOH"	152.95602
"806513"	272.1412	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M"	0
"983330"	253.12281	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H2O-H"	-19.01839
"64038"	180.420190666667	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-3H"	-3.021828
"503841"	271.133924	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-3H"	-3.021828
"882374"	89.7064573333333	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-3H"	-3.021828
"6417"	271.133924	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H"	-2.014552
"452175"	407.204524	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H"	-2.014552
"822685"	135.063324	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H"	-2.014552
"91428"	543.275124	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-H"	-1.007276
"524425"	815.416324	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-H"	-1.007276
"906606"	271.133924	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H"	-1.007276
"58794"	560.301671	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+NH4"	16.019271
"493980"	832.442871	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+NH4"	16.019271
"879075"	288.160471	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+NH4"	16.019271
"44787"	565.257066	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+Na"	20.974666
"483616"	837.398266	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+Na"	20.974666
"861418"	293.115866	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+Na"	20.974666
"1625483"	293.115866	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na-2H"	20.974666
"98731"	289.122263	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-H+Cl"	33.962126
"536104"	425.192863	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-H+Cl"	33.962126
"933997"	153.051663	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+Cl"	33.962126
"271462"	579.251802	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Cl"	34.969402
"663883"	851.393002	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Cl"	34.969402
"1280663"	307.110602	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl"	34.969402
"21031"	581.231006	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M-2H+K"	36.948606
"459496"	853.372206	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M-2H+K"	36.948606
"842774"	309.089806	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-2H+K"	36.948606
"1564437"	309.089806	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K-2H"	36.948606
"950131"	317.139394	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+HCOOH"	44.998194
"365432"	589.280601	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+HCOOH-H"	44.998201
"352596"	603.296251	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Hac-H"	59.013851
"1495959"	331.155051	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Hac-H"	59.013851
"962406"	339.121351	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+NaCOOH"	66.980151
"115323"	307.110602	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Cl"	69.938804
"562190"	443.181202	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Cl"	69.938804
"1033176"	171.040002	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Cl"	69.938804
"1254943"	351.060085	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Br"	78.918885
"1314108"	353.116072	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+HCOOH"	80.974872
"1329416"	375.098029	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+NaCOOH"	102.956829
"922665"	385.126786	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M-H+CF3COOH"	112.985586
"1300466"	421.103464	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Cl+CF3COOH"	148.962264
"1374254"	237.128524	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H-2H2O"	-35.012676
"1398383"	255.1385	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H-H2O"	-17.0027
"298294"	545.289676	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H"	1.007276
"689826"	817.430876	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H"	1.007276
"1364598"	273.148476	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H"	1.007276
"140768"	273.148476	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2H"	2.014552
"580326"	409.219076	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2H"	2.014552
"1051673"	137.077876	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2H"	2.014552
"217393"	182.434742666667	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+3H"	3.021828
"658047"	273.148476	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+3H"	3.021828
"1177630"	91.7210093333334	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3H"	3.021828
"439076"	562.316223	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+NH4"	18.033823
"801300"	834.457423	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+NH4"	18.033823
"1696040"	290.175023	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4"	18.033823
"344316"	281.6617495	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+NH4"	19.041099
"737796"	417.7323495	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+NH4"	19.041099
"1492017"	145.5911495	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+NH4"	19.041099
"407778"	567.271618	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Na"	22.989218
"764033"	839.412818	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Na"	22.989218
"1614319"	295.130418	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na"	22.989218
"329341"	284.139447	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+Na"	23.996494
"718966"	420.210047	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+Na"	23.996494
"1473887"	148.068847	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+Na"	23.996494
"1059476"	99.0483233333333	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2H+Na"	25.00377
"1265529"	305.174686	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+CH3OH+H"	33.033486
"386289"	583.245558	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+K"	38.963158
"746193"	855.386758	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+K"	38.963158
"1542781"	311.104358	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K"	38.963158
"299954"	292.126417	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+H+K"	39.970434
"700030"	428.197017	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+H+K"	39.970434
"1448382"	156.055817	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+K"	39.970434
"238444"	586.316226	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+ACN+H"	42.033826
"1213338"	314.175026	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+H"	42.033826
"1201234"	157.591151	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+2H"	43.041102
"193740"	589.25356	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Na-H"	44.97116
"629653"	861.39476	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Na-H"	44.97116
"1140457"	317.11236	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Na-H"	44.97116
"179373"	295.130418	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2Na"	45.978436
"626589"	431.201018	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2Na"	45.978436
"1127908"	159.059818	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2Na"	45.978436
"1410341"	106.375637333333	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+2Na"	46.985712
"1442456"	319.153946	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+HCOOH"	47.012746
"231057"	300.16344	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+3H2O+2H"	56.04448
"1516932"	333.20599	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+H"	61.06479
"418806"	303.117388	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+Na+K"	61.952376
"783811"	439.187988	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+Na+K"	61.952376
"1677227"	167.046788	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+K"	61.952376
"263387"	608.298168	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+ACN+Na"	64.015768
"1238282"	336.156968	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+ACN+Na"	64.015768
"1725714"	336.180493	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4+HCOOH"	64.039293
"1187425"	113.702951333333	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3Na"	68.967654
"1659504"	341.135888	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+HCOOH"	68.994688
"165273"	621.20144	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2K-H"	76.91904
"602646"	893.34264	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2K-H"	76.91904
"1090438"	349.06024	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K-H"	76.91904
"149442"	311.104358	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"2M+2K"	77.926316
"587908"	447.174958	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"3M+2K"	77.926316
"1075701"	175.033758	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K"	77.926316
"1107814"	351.074792	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2K+H"	78.933592
"1340919"	351.162407	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+DMSO+H"	79.021207
"1006772"	355.201576	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2ACN+H"	83.060376
"1527572"	356.195208	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+IsoProp+Na+H"	84.054008
"999486"	178.104426	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+2ACN+2H"	84.067652
"1589617"	357.109828	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K+HCOOH"	84.968628
"1427304"	387.141338	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+H+CF3COOH"	115.000138
"1158684"	198.617701	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+3ACN+2H"	125.094202
"1703862"	404.167885	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+NH4+CF3COOH"	132.026685
"1644980"	409.12328	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+Na+CF3COOH"	136.98208
"1572976"	425.09722	"C15153"	"(-)-Methallenestrilphenol;(-)-3-(6-Hydroxy-2-naphthyl)-22-dimethylpentanoic acid;(-)-beta-Ethyl-6-hydroxy-alphaalpha-dimethyl-2-naphthalenepropanoic acid"	"C17H20O3"	"272.1412"	"M+K+CF3COOH"	152.95602
"806623"	330.2195	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M"	0
"983440"	311.20111	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"64027"	219.139057333333	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"504680"	329.212224	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"881391"	109.065890666667	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"5433"	329.212224	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"442077"	494.321974	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"820608"	164.102474	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"78739"	659.431724	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"522348"	989.651224	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"904526"	329.212224	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"53434"	676.458271	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"494090"	1006.677771	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"868611"	346.238771	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"42709"	681.413666	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"483726"	1011.633166	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"859342"	351.194166	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1625593"	351.194166	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"98841"	347.200563	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"536214"	512.310313	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"933013"	182.090813	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"270479"	695.408402	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"662900"	1025.627902	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1279680"	365.188902	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"21141"	697.387606	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"457420"	1027.607106	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"843978"	367.168106	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1564184"	367.168106	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"946961"	375.217694	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"365178"	705.437201	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"353072"	719.452851	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1496433"	389.233351	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"961787"	397.199651	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"114340"	365.188902	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"557918"	530.298652	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1028912"	200.079152	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1250678"	409.138385	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1312032"	411.194372	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1327339"	433.176329	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"922412"	443.205086	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1299119"	479.181764	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1374364"	295.206824	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1397696"	313.2168	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"297749"	661.446276	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"690177"	991.665776	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1366529"	331.226776	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"141120"	331.226776	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"580799"	496.336526	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1052149"	166.117026	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"219733"	221.153609333333	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"659249"	331.226776	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1178188"	111.080442666667	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"437726"	678.472823	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"801246"	1008.692323	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1696393"	348.253323	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"344063"	339.7400495	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"737901"	504.8497995	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1491762"	174.6302995	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"408446"	683.428218	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"764144"	1013.647718	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1614429"	353.208718	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"325561"	342.217747	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"719076"	507.327497	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1474721"	177.107997	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1063960"	118.407756666667	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1266732"	363.252986	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"383119"	699.402158	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"748490"	1029.621658	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1546171"	369.182658	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"300428"	350.204717	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"697954"	515.314467	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1446304"	185.094967	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"238553"	702.472826	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1212355"	372.253326	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1196968"	186.630301	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"190932"	705.41016	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"628619"	1035.62966	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1135458"	375.19066	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"180576"	353.208718	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"618677"	518.318468	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1122911"	188.098968	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1402793"	125.735070666667	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1444386"	377.232246	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"227887"	358.24174	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1513762"	391.28429	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"417823"	361.195688	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"781005"	526.305438	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1672964"	196.085938	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"265562"	724.454768	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1238755"	394.235268	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1727156"	394.258793	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1188992"	133.062384666667	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1661071"	399.214188	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"167568"	737.35804	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"605672"	1067.57754	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1091642"	407.13854	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"151739"	369.182658	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"590206"	534.292408	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1077998"	204.072908	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1106831"	409.153092	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1341029"	409.240707	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1006518"	413.279876	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1527682"	414.273508	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"999596"	207.143576	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1593008"	415.188128	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1428507"	445.219638	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1158794"	227.656851	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1703972"	462.246185	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1645090"	467.20158	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1573086"	483.17552	"C15154"	"4beta5beta-Epoxypregnane-320-dione"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"806733"	422.1457	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M"	0
"983550"	403.12731	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-H2O-H"	-19.01839
"66324"	280.423190666667	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M-3H"	-3.021828
"504060"	421.138424	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M-3H"	-3.021828
"880485"	139.707957333333	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-3H"	-3.021828
"5543"	421.138424	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M-2H"	-2.014552
"442916"	632.211274	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M-2H"	-2.014552
"820718"	210.065574	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-2H"	-2.014552
"79163"	843.284124	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M-H"	-1.007276
"522458"	1265.429824	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M-H"	-1.007276
"903543"	421.138424	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-H"	-1.007276
"53544"	860.310671	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M-2H+NH4"	16.019271
"494200"	1282.456371	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M-2H+NH4"	16.019271
"868721"	438.164971	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-2H+NH4"	16.019271
"42091"	865.266066	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M-2H+Na"	20.974666
"482744"	1287.411766	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M-2H+Na"	20.974666
"860181"	443.120366	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-2H+Na"	20.974666
"1625703"	443.120366	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Na-2H"	20.974666
"98951"	439.126763	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M-H+Cl"	33.962126
"539604"	650.199613	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M-H+Cl"	33.962126
"933123"	228.053913	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-H+Cl"	33.962126
"268159"	879.260802	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+Cl"	34.969402
"664103"	1301.406502	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+Cl"	34.969402
"1278697"	457.115102	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Cl"	34.969402
"18335"	881.240006	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M-2H+K"	36.948606
"456066"	1303.385706	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M-2H+K"	36.948606
"840805"	459.094306	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-2H+K"	36.948606
"1564293"	459.094306	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+K-2H"	36.948606
"945615"	467.143894	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-H+HCOOH"	44.998194
"364924"	889.289601	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+HCOOH-H"	44.998201
"355368"	903.305251	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+Hac-H"	59.013851
"1495086"	481.159551	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Hac-H"	59.013851
"962262"	489.125851	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-H+NaCOOH"	66.980151
"114086"	457.115102	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+2Cl"	69.938804
"556933"	668.187952	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+2Cl"	69.938804
"1029022"	246.042252	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2Cl"	69.938804
"1251881"	501.064585	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Br"	78.918885
"1312142"	503.120572	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Cl+HCOOH"	80.974872
"1328542"	525.102529	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Cl+NaCOOH"	102.956829
"921793"	535.131286	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M-H+CF3COOH"	112.985586
"1300322"	571.107964	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Cl+CF3COOH"	148.962264
"1376661"	387.133024	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H-2H2O"	-35.012676
"1397684"	405.143	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H-H2O"	-17.0027
"297980"	845.298676	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+H"	1.007276
"689805"	1267.444376	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+H"	1.007276
"1366154"	423.152976	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H"	1.007276
"140262"	423.152976	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+2H"	2.014552
"580553"	634.225826	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+2H"	2.014552
"1051533"	212.080126	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2H"	2.014552
"219316"	282.437742666667	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+3H"	3.021828
"658998"	423.152976	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+3H"	3.021828
"1178299"	141.722509333333	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+3H"	3.021828
"438934"	862.325223	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+NH4"	18.033823
"799203"	1284.470923	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+NH4"	18.033823
"1695899"	440.179523	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+NH4"	18.033823
"345272"	431.6662495	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+H+NH4"	19.041099
"737812"	642.7390995	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+H+NH4"	19.041099
"1491754"	220.5933995	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H+NH4"	19.041099
"407880"	867.280618	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+Na"	22.989218
"767534"	1289.426318	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+Na"	22.989218
"1613446"	445.134918	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Na"	22.989218
"326766"	434.143947	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+H+Na"	23.996494
"720280"	645.216797	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+H+Na"	23.996494
"1476412"	223.071097	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H+Na"	23.996494
"1062978"	149.049823333333	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2H+Na"	25.00377
"1266842"	455.179186	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+CH3OH+H"	33.033486
"383229"	883.254558	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+K"	38.963158
"747508"	1305.400258	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+K"	38.963158
"1545189"	461.108858	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+K"	38.963158
"299566"	442.130917	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+H+K"	39.970434
"695878"	653.203767	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+H+K"	39.970434
"1446008"	231.058067	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H+K"	39.970434
"236191"	886.325226	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+ACN+H"	42.033826
"1211372"	464.179526	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+ACN+H"	42.033826
"1196714"	232.593401	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+ACN+2H"	43.041102
"192865"	889.26256	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+2Na-H"	44.97116
"629873"	1311.40826	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+2Na-H"	44.97116
"1135568"	467.11686	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2Na-H"	44.97116
"181779"	445.134918	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+2Na"	45.978436
"616961"	656.207768	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+2Na"	45.978436
"1123750"	234.062068	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2Na"	45.978436
"1402903"	156.377137333333	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H+2Na"	46.985712
"1444739"	469.158446	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H+HCOOH"	47.012746
"226901"	450.16794	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+3H2O+2H"	56.04448
"1513872"	483.21049	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+IsoProp+H"	61.06479
"416840"	453.121888	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+Na+K"	61.952376
"777835"	664.194738	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+Na+K"	61.952376
"1671979"	242.049038	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Na+K"	61.952376
"260687"	908.307168	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+ACN+Na"	64.015768
"1236678"	486.161468	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+ACN+Na"	64.015768
"1726659"	486.184993	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+NH4+HCOOH"	64.039293
"1188009"	163.704451333333	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+3Na"	68.967654
"1660452"	491.140388	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Na+HCOOH"	68.994688
"164400"	921.21044	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+2K-H"	76.91904
"605053"	1343.35614	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+2K-H"	76.91904
"1089566"	499.06474	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2K-H"	76.91904
"149661"	461.108858	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"2M+2K"	77.926316
"588129"	672.181708	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"3M+2K"	77.926316
"1078106"	250.036008	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2K"	77.926316
"1105847"	501.079292	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2K+H"	78.933592
"1338952"	501.166907	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+DMSO+H"	79.021207
"1005734"	505.206076	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2ACN+H"	83.060376
"1525848"	506.199708	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+IsoProp+Na+H"	84.054008
"1000800"	253.106676	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+2ACN+2H"	84.067652
"1596398"	507.114328	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+K+HCOOH"	84.968628
"1427158"	537.145838	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+H+CF3COOH"	115.000138
"1159633"	273.619951	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+3ACN+2H"	125.094202
"1704082"	554.172385	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+NH4+CF3COOH"	132.026685
"1645200"	559.12778	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+Na+CF3COOH"	136.98208
"1573196"	575.10172	"C15155"	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31BrO3"	"422.1457"	"M+K+CF3COOH"	152.95602
"806843"	316.2402	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M"	0
"980380"	297.22181	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"66434"	209.819524	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"505992"	315.232924	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"881608"	104.406124	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"4559"	315.232924	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"441202"	473.353024	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"819361"	157.112824	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"80088"	631.473124	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"525848"	947.713324	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"907299"	315.232924	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"58029"	648.499671	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"494310"	964.739871	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"872111"	332.259471	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"42930"	653.455066	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"482853"	969.695266	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"859562"	337.214866	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1625813"	337.214866	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"99061"	333.221263	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"537527"	491.341363	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"933233"	175.101163	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"268513"	667.449802	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"667494"	983.690002	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1276613"	351.209602	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"19538"	669.429006	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"459095"	985.669206	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"840916"	353.188806	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1565497"	353.188806	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"949005"	361.238394	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"371595"	677.478601	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"355479"	691.494251	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1497747"	375.254051	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"962007"	383.220351	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"113466"	351.209602	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"558136"	509.329702	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1029132"	193.089502	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1248711"	395.159085	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1311158"	397.215072	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1326465"	419.197029	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"920810"	429.225786	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1299703"	465.202464	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1377865"	281.227524	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1394268"	299.2375	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"295052"	633.487676	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"690965"	949.727876	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1366745"	317.247476	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"139642"	317.247476	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"579931"	475.367576	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1050915"	159.127376	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"219428"	211.834076	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"659639"	317.247476	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1177720"	106.420676	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"438927"	650.514223	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"800410"	966.754423	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1696129"	334.274023	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"345016"	325.7607495	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"737680"	483.8808495	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1490893"	167.6406495	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"407871"	655.469618	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"766552"	971.709818	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1615988"	339.229418	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"328456"	328.238447	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"720635"	486.358547	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1475795"	170.118347	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1063089"	113.74799	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1264765"	349.273686	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"380059"	671.443558	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"744339"	987.683758	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1542018"	355.203358	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"300648"	336.225417	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"692342"	494.345517	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1445638"	178.105317	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"235895"	674.514226	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1210389"	358.274026	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1196094"	179.640651	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"191881"	677.45156	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"629983"	993.69176	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1136407"	361.21136	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"180796"	339.229418	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"618165"	497.349518	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1121674"	181.109318	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1403013"	121.075304	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1439503"	363.252946	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"225918"	344.26244	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1515076"	377.30499	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"416950"	347.216388	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"775029"	505.336488	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1670631"	189.096288	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"258245"	696.496168	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1234965"	380.255968	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1721299"	380.279493	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1185932"	128.402618	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1657646"	385.234888	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"165236"	709.39944	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"607349"	1025.63964	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1094050"	393.15924	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"151594"	355.203358	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"589332"	513.323458	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1076029"	197.083258	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1104865"	395.173792	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1339061"	395.261407	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1005772"	399.300576	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1524253"	400.294208	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"997629"	200.153926	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1595413"	401.208828	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1427632"	431.240338	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1159743"	220.667201	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1707108"	448.266885	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1645310"	453.22228	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1573306"	469.19622	"C15156"	"3-Acetyl-5alpha-androst-2-en-17beta-ol"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"806953"	376.2614	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M"	0
"980490"	357.24301	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-H2O-H"	-19.01839
"66544"	249.833657333333	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M-3H"	-3.021828
"504644"	375.254124	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M-3H"	-3.021828
"882812"	124.413190666667	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-3H"	-3.021828
"2484"	375.254124	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M-2H"	-2.014552
"442040"	563.384824	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M-2H"	-2.014552
"818744"	187.123424	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-2H"	-2.014552
"79467"	751.515524	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M-H"	-1.007276
"523772"	1127.776924	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M-H"	-1.007276
"905950"	375.254124	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-H"	-1.007276
"55951"	768.542071	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M-2H+NH4"	16.019271
"489192"	1144.803471	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M-2H+NH4"	16.019271
"871123"	392.280671	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-2H+NH4"	16.019271
"34652"	773.497466	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M-2H+Na"	20.974666
"475306"	1149.758866	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M-2H+Na"	20.974666
"860764"	397.236066	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-2H+Na"	20.974666
"1629203"	397.236066	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Na-2H"	20.974666
"100264"	393.242463	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M-H+Cl"	33.962126
"536543"	581.373163	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M-H+Cl"	33.962126
"933343"	205.111763	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-H+Cl"	33.962126
"274090"	787.492202	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+Cl"	34.969402
"669791"	1163.753602	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+Cl"	34.969402
"1277818"	411.230802	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Cl"	34.969402
"20375"	789.471406	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M-2H+K"	36.948606
"459935"	1165.732806	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M-2H+K"	36.948606
"841026"	413.210006	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-2H+K"	36.948606
"1567430"	413.210006	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+K-2H"	36.948606
"949115"	421.259594	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-H+HCOOH"	44.998194
"372434"	797.521001	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+HCOOH-H"	44.998201
"355954"	811.536651	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+Hac-H"	59.013851
"1494577"	435.275251	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Hac-H"	59.013851
"960660"	443.241551	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-H+NaCOOH"	66.980151
"111754"	411.230802	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+2Cl"	69.938804
"558246"	599.361502	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+2Cl"	69.938804
"1027052"	223.100102	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2Cl"	69.938804
"1252100"	455.180285	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Br"	78.918885
"1316735"	457.236272	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Cl+HCOOH"	80.974872
"1334230"	479.218229	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Cl+NaCOOH"	102.956829
"926021"	489.246986	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M-H+CF3COOH"	112.985586
"1302000"	525.223664	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Cl+CF3COOH"	148.962264
"1380161"	341.248724	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H-2H2O"	-35.012676
"1394378"	359.2587	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H-H2O"	-17.0027
"297957"	753.530076	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+H"	1.007276
"690509"	1129.791476	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+H"	1.007276
"1366854"	377.268676	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H"	1.007276
"139755"	377.268676	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+2H"	2.014552
"580043"	565.399376	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+2H"	2.014552
"1051882"	189.137976	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2H"	2.014552
"219418"	251.848209333333	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+3H"	3.021828
"658983"	377.268676	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+3H"	3.021828
"1178037"	126.427742666667	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+3H"	3.021828
"439158"	770.556623	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+NH4"	18.033823
"801127"	1146.818023	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+NH4"	18.033823
"1696363"	394.295223	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+NH4"	18.033823
"345212"	385.7819495	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+H+NH4"	19.041099
"738156"	573.9126495	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+H+NH4"	19.041099
"1491976"	197.6512495	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H+NH4"	19.041099
"407982"	775.512018	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+Na"	22.989218
"769338"	1151.773418	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+Na"	22.989218
"1616828"	399.250618	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Na"	22.989218
"329053"	388.259647	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+H+Na"	23.996494
"721473"	576.390347	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+H+Na"	23.996494
"1476146"	200.128947	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H+Na"	23.996494
"1065756"	133.755056666667	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2H+Na"	25.00377
"1269620"	409.294886	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+CH3OH+H"	33.033486
"390382"	791.485958	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+K"	38.963158
"750281"	1167.747358	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+K"	38.963158
"1546502"	415.224558	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+K"	38.963158
"305863"	396.246617	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+H+K"	39.970434
"691724"	584.377317	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+H+K"	39.970434
"1447732"	208.115917	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H+K"	39.970434
"238885"	794.556626	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+ACN+H"	42.033826
"1214144"	418.295226	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+ACN+H"	42.033826
"1196569"	209.651251	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+ACN+2H"	43.041102
"189314"	797.49396	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+2Na-H"	44.97116
"631187"	1173.75536	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+2Na-H"	44.97116
"1135424"	421.23256	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2Na-H"	44.97116
"180906"	399.250618	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+2Na"	45.978436
"616088"	587.381318	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+2Na"	45.978436
"1117406"	211.119918	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2Na"	45.978436
"1403487"	141.082370666667	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H+2Na"	46.985712
"1434143"	423.274146	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H+HCOOH"	47.012746
"226029"	404.28364	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+3H2O+2H"	56.04448
"1518464"	437.32619	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+IsoProp+H"	61.06479
"414143"	407.237588	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+Na+K"	61.952376
"781337"	595.368288	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+Na+K"	61.952376
"1675480"	219.106888	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Na+K"	61.952376
"262001"	816.538568	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+ACN+Na"	64.015768
"1235805"	440.277168	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+ACN+Na"	64.015768
"1723598"	440.300693	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+NH4+HCOOH"	64.039293
"1189684"	148.409684666667	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+3Na"	68.967654
"1661766"	445.256088	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Na+HCOOH"	68.994688
"164617"	829.44184	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+2K-H"	76.91904
"609281"	1205.70324	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+2K-H"	76.91904
"1097805"	453.18044	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2K-H"	76.91904
"150976"	415.224558	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"2M+2K"	77.926316
"588348"	603.355258	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"3M+2K"	77.926316
"1078325"	227.093858	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2K"	77.926316
"1107161"	455.194992	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2K+H"	78.933592
"1341358"	455.282607	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+DMSO+H"	79.021207
"1005687"	459.321776	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2ACN+H"	83.060376
"1528013"	460.315408	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+IsoProp+Na+H"	84.054008
"999927"	230.164526	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+2ACN+2H"	84.067652
"1596617"	461.230028	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+K+HCOOH"	84.968628
"1425556"	491.261538	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+H+CF3COOH"	115.000138
"1159853"	250.677801	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+3ACN+2H"	125.094202
"1707582"	508.288085	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+NH4+CF3COOH"	132.026685
"1644327"	513.24348	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+Na+CF3COOH"	136.98208
"1573416"	529.21742	"C15157"	"3-Acetyl-5alpha-androstane-3beta17beta-diol 3-acetate"	"C23H36O4"	"376.2614"	"M+K+CF3COOH"	152.95602
"807063"	314.2246	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M"	0
"980598"	295.20621	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"66654"	208.475790666667	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"504754"	313.217324	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"882192"	103.734257333333	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"3687"	313.217324	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"440933"	470.329624	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"818246"	156.105024	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"79819"	627.441924	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"522788"	941.666524	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"901686"	313.217324	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"49501"	644.468471	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"490513"	958.693071	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"866856"	330.243871	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"39135"	649.423866	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"473955"	963.648466	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"851026"	335.199266	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1620923"	335.199266	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"95265"	331.205663	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"537017"	488.317963	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"933453"	174.093363	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"273106"	663.418602	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"667713"	977.643202	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1275742"	349.194002	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"17691"	665.397806	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"460045"	979.622406	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"842229"	351.173206	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1562436"	351.173206	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"949225"	359.222794	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"372544"	673.447401	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"356064"	687.463051	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1495050"	373.238451	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"961494"	381.204751	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"111864"	349.194002	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"558356"	506.306302	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1027162"	192.081702	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1253302"	393.143485	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1315750"	395.199472	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1329966"	417.181429	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"923213"	427.210186	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1302839"	463.186864	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1381000"	279.211924	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1393394"	297.2219	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"295270"	629.456476	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"685506"	943.681076	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1364042"	315.231876	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"140210"	315.231876	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"577584"	472.344176	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1052232"	158.119576	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"219525"	210.490342666667	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"659699"	315.231876	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1177825"	105.748809333333	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"439512"	646.483023	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"801201"	960.707623	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1696998"	332.258423	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"345109"	323.7451495	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"738346"	480.8574495	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1492611"	166.6328495	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"407849"	651.438418	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"768597"	965.663018	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1615966"	337.213818	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"329614"	326.222847	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"720611"	483.335147	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1476504"	169.110547	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1065500"	113.076123333333	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1270458"	347.258086	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"390489"	667.412358	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"752578"	981.636958	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1546612"	353.187758	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"308160"	334.209817	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"692198"	491.322117	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1447113"	177.097517	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"239724"	670.483026	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1213890"	356.258426	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1196679"	178.632851	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"189665"	673.42036	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"631297"	987.64496	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1135534"	359.19576	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"176271"	337.213818	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"616198"	494.326118	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1117028"	180.101518	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1403232"	120.403437333333	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1433159"	361.237346	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"227231"	342.24684	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1518574"	375.28939	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"416072"	345.200788	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"781447"	502.313088	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1675590"	188.088488	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"263204"	692.464968	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1238098"	378.240368	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1723707"	378.263893	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1188701"	127.730751333333	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1660054"	383.219288	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"164727"	705.36824	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"607569"	1019.59284	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1096093"	391.14364	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"151085"	353.187758	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"589553"	510.300058	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1075155"	196.075458	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1107271"	393.158192	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1335999"	393.245807	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1006231"	397.284976	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1524964"	398.278608	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"997850"	199.146126	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1594540"	399.193228	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1425666"	429.224738	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1159234"	219.659401	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1704412"	446.251285	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1645530"	451.20668	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1573526"	467.18062	"C15158"	"3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"807173"	334.2144	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M"	0
"983988"	315.19601	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"70044"	221.802324	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"507416"	333.207124	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"882302"	110.397524	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"1242"	333.207124	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"440148"	500.314324	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"817261"	166.099924	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"78572"	667.421524	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"518540"	1001.635924	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"905074"	333.207124	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"52891"	684.448071	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"488436"	1018.662471	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"868063"	350.233671	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"39245"	689.403466	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"477711"	1023.617866	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"853326"	355.189066	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1619943"	355.189066	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"96105"	351.195463	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"536763"	518.302663	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"933563"	184.088263	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"272488"	703.398202	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"665637"	1037.612602	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1275852"	369.183802	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"17680"	705.377406	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"458332"	1039.591806	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"837599"	371.163006	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1558900"	371.163006	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"949335"	379.212594	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"369738"	713.427001	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"354715"	727.442651	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1495160"	393.228251	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"961605"	401.194551	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"111974"	369.183802	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"560653"	536.291002	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1029452"	202.076602	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1251954"	413.133285	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1315858"	415.189272	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1332629"	437.171229	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"923323"	447.199986	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1301856"	483.176664	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1379288"	299.201724	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1393504"	317.2117	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"296474"	669.436076	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"687803"	1003.650476	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1364152"	335.221676	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"140322"	335.221676	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"577694"	502.328876	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1052343"	168.114476	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"219149"	223.816876	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"659840"	335.221676	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1178423"	112.412076	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"439622"	686.462623	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"801326"	1020.677023	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1696219"	352.248223	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"344494"	343.7349495	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"737033"	510.8421495	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1491217"	176.6277495	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"404794"	691.418018	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"765789"	1025.632418	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1616075"	357.203618	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"327205"	346.212647	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"720357"	513.319847	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1475885"	179.105447	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1065976"	119.73939	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1269841"	367.247886	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"390237"	707.391958	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"753054"	1041.606358	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1554008"	373.177558	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"307177"	354.199617	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"691741"	521.306817	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1447223"	187.092417	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"240928"	710.462626	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1215823"	376.248226	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1196425"	188.627751	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"188926"	713.39996	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"631407"	1047.61436	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1135645"	379.18556	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"175408"	357.203618	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"615336"	524.310818	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1117745"	190.096418	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1403342"	127.066704	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1431566"	381.227146	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"226247"	362.23664	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1513217"	395.27919	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"416182"	365.190588	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"783744"	532.297788	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1675700"	198.083388	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"262221"	732.444568	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1233834"	398.230168	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1720538"	398.253693	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1190633"	134.394018	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1660893"	403.209088	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"166658"	745.34784	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"606585"	1079.56224	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1096933"	411.13344	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"153382"	373.177558	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"589662"	540.284758	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1075265"	206.070358	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1105193"	413.147992	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1336471"	413.235607	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1006008"	417.274776	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1525800"	418.268408	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"999054"	209.141026	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1595743"	419.183028	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1427598"	449.214538	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1159709"	229.654301	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1704522"	466.241085	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1645640"	471.19648	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1573636"	487.17042	"C15159"	"3beta13-Dihydroxy-16-(hydroxymethylene)-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"807283"	393.2304	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M"	0
"984098"	374.21201	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H2O-H"	-19.01839
"70154"	261.146324	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-3H"	-3.021828
"506797"	392.223124	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-3H"	-3.021828
"880225"	130.069524	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-3H"	-3.021828
"987"	392.223124	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H"	-2.014552
"439972"	588.838324	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H"	-2.014552
"817247"	195.607924	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H"	-2.014552
"78713"	785.453524	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-H"	-1.007276
"518582"	1178.683924	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-H"	-1.007276
"901903"	392.223124	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H"	-1.007276
"48745"	802.480071	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H+NH4"	16.019271
"487695"	1195.710471	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H+NH4"	16.019271
"870360"	409.249671	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H+NH4"	16.019271
"33887"	807.435466	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H+Na"	20.974666
"473081"	1200.665866	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H+Na"	20.974666
"852342"	414.205066	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H+Na"	20.974666
"1620050"	414.205066	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na-2H"	20.974666
"96214"	410.211463	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-H+Cl"	33.962126
"534885"	606.826663	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-H+Cl"	33.962126
"933673"	213.596263	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+Cl"	33.962126
"270775"	821.430202	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Cl"	34.969402
"665746"	1214.660602	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+Cl"	34.969402
"1273409"	428.199802	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl"	34.969402
"17790"	823.409406	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H+K"	36.948606
"460265"	1216.639806	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H+K"	36.948606
"837709"	430.179006	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H+K"	36.948606
"1560102"	430.179006	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K-2H"	36.948606
"948352"	438.228594	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+HCOOH"	44.998194
"367662"	831.459001	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+HCOOH-H"	44.998201
"351545"	845.474651	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Hac-H"	59.013851
"1495634"	452.244251	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Hac-H"	59.013851
"959894"	460.210551	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+NaCOOH"	66.980151
"112084"	428.199802	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2Cl"	69.938804
"559670"	624.815002	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2Cl"	69.938804
"1028469"	231.584602	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2Cl"	69.938804
"1253157"	472.149285	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Br"	78.918885
"1314875"	474.205272	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl+HCOOH"	80.974872
"1334196"	496.187229	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl+NaCOOH"	102.956829
"924526"	506.215986	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+CF3COOH"	112.985586
"1303871"	542.192664	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl+CF3COOH"	148.962264
"1382313"	358.217724	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H-2H2O"	-35.012676
"1394707"	376.2277	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H-H2O"	-17.0027
"296584"	787.468076	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H"	1.007276
"689006"	1180.698476	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H"	1.007276
"1365355"	394.237676	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H"	1.007276
"140066"	394.237676	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2H"	2.014552
"577804"	590.852876	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2H"	2.014552
"1051721"	197.622476	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2H"	2.014552
"219707"	263.160876	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+3H"	3.021828
"659713"	394.237676	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+3H"	3.021828
"1178366"	132.084076	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+3H"	3.021828
"439570"	804.494623	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+NH4"	18.033823
"801217"	1197.725023	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+NH4"	18.033823
"1696943"	411.264223	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+NH4"	18.033823
"343263"	402.7509495	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H+NH4"	19.041099
"738073"	599.3661495	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H+NH4"	19.041099
"1490598"	206.1357495	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+NH4"	19.041099
"405998"	809.450018	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Na"	22.989218
"769057"	1202.680418	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+Na"	22.989218
"1616185"	416.219618	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na"	22.989218
"328287"	405.228647	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H+Na"	23.996494
"719738"	601.843847	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H+Na"	23.996494
"1476476"	208.613447	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+Na"	23.996494
"1067539"	139.41139	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2H+Na"	25.00377
"1269584"	426.263886	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+CH3OH+H"	33.033486
"390345"	825.423958	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+K"	38.963158
"753528"	1218.654358	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+K"	38.963158
"1554846"	432.193558	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K"	38.963158
"308380"	413.215617	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H+K"	39.970434
"693877"	609.830817	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H+K"	39.970434
"1446480"	216.600417	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+K"	39.970434
"239215"	828.494626	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+ACN+H"	42.033826
"1213746"	435.264226	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+ACN+H"	42.033826
"1195806"	218.135751	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+ACN+2H"	43.041102
"189036"	831.43196	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2Na-H"	44.97116
"630423"	1224.66236	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2Na-H"	44.97116
"1135754"	438.20156	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2Na-H"	44.97116
"175761"	416.219618	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2Na"	45.978436
"616781"	612.834818	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2Na"	45.978436
"1120649"	219.604418	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2Na"	45.978436
"1404545"	146.738704	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+2Na"	46.985712
"1432285"	440.243146	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+HCOOH"	47.012746
"227450"	421.25264	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+3H2O+2H"	56.04448
"1514420"	454.29519	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+IsoProp+H"	61.06479
"416292"	424.206588	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Na+K"	61.952376
"784827"	620.821788	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+Na+K"	61.952376
"1675810"	227.591388	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na+K"	61.952376
"264517"	850.476568	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+ACN+Na"	64.015768
"1235038"	457.246168	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+ACN+Na"	64.015768
"1723925"	457.269693	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+NH4+HCOOH"	64.039293
"1188921"	154.066018	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+3Na"	68.967654
"1661003"	462.225088	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na+HCOOH"	68.994688
"166040"	863.37984	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2K-H"	76.91904
"609975"	1256.61024	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2K-H"	76.91904
"1096313"	470.14944	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2K-H"	76.91904
"152398"	432.193558	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2K"	77.926316
"589772"	628.808758	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2K"	77.926316
"1073188"	235.578358	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2K"	77.926316
"1105303"	472.163992	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2K+H"	78.933592
"1336460"	472.251607	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+DMSO+H"	79.021207
"1006326"	476.290776	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2ACN+H"	83.060376
"1526277"	477.284408	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+IsoProp+Na+H"	84.054008
"1000256"	238.649026	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2ACN+2H"	84.067652
"1595853"	478.199028	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K+HCOOH"	84.968628
"1423698"	508.230538	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+CF3COOH"	115.000138
"1159819"	259.162301	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+3ACN+2H"	125.094202
"1704632"	525.257085	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+NH4+CF3COOH"	132.026685
"1645750"	530.21248	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na+CF3COOH"	136.98208
"1573746"	546.18642	"C15160"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K+CF3COOH"	152.95602
"807393"	424.1886	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M"	0
"984208"	405.17021	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-H2O-H"	-19.01839
"70264"	281.785124	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M-3H"	-3.021828
"506543"	423.181324	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M-3H"	-3.021828
"881793"	140.388924	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-3H"	-3.021828
"1097"	423.181324	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M-2H"	-2.014552
"440326"	635.275624	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M-2H"	-2.014552
"818092"	211.087024	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-2H"	-2.014552
"78732"	847.369924	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M-H"	-1.007276
"518863"	1271.558524	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M-H"	-1.007276
"898733"	423.181324	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-H"	-1.007276
"47883"	864.396471	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M-2H+NH4"	16.019271
"488773"	1288.585071	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M-2H+NH4"	16.019271
"872657"	440.207871	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-2H+NH4"	16.019271
"35091"	869.351866	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M-2H+Na"	20.974666
"471853"	1293.540466	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M-2H+Na"	20.974666
"852452"	445.163266	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-2H+Na"	20.974666
"1619796"	445.163266	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Na-2H"	20.974666
"94866"	441.169663	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M-H+Cl"	33.962126
"538076"	653.263963	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M-H+Cl"	33.962126
"929408"	229.075363	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-H+Cl"	33.962126
"270884"	883.346602	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+Cl"	34.969402
"664398"	1307.535202	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+Cl"	34.969402
"1273761"	459.158002	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Cl"	34.969402
"17900"	885.325806	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M-2H+K"	36.948606
"460375"	1309.514406	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M-2H+K"	36.948606
"832875"	461.137206	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-2H+K"	36.948606
"1558023"	461.137206	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+K-2H"	36.948606
"947367"	469.186794	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-H+HCOOH"	44.998194
"364853"	893.375401	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+HCOOH-H"	44.998201
"348371"	907.391051	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+Hac-H"	59.013851
"1494286"	483.202451	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Hac-H"	59.013851
"961098"	491.168751	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-H+NaCOOH"	66.980151
"112194"	459.158002	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+2Cl"	69.938804
"555406"	671.252302	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+2Cl"	69.938804
"1026755"	247.063702	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2Cl"	69.938804
"1251442"	503.107485	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Br"	78.918885
"1309516"	505.163472	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Cl+HCOOH"	80.974872
"1329199"	527.145429	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Cl+NaCOOH"	102.956829
"923543"	537.174186	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M-H+CF3COOH"	112.985586
"1302805"	573.150864	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Cl+CF3COOH"	148.962264
"1380601"	389.175924	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H-2H2O"	-35.012676
"1392631"	407.1859	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H-H2O"	-17.0027
"295601"	849.384476	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+H"	1.007276
"688023"	1273.573076	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+H"	1.007276
"1365465"	425.195876	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H"	1.007276
"140176"	425.195876	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+2H"	2.014552
"579007"	637.290176	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+2H"	2.014552
"1052195"	213.101576	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2H"	2.014552
"219812"	283.799676	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+3H"	3.021828
"659293"	425.195876	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+3H"	3.021828
"1177782"	142.403476	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+3H"	3.021828
"438866"	866.411023	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+NH4"	18.033823
"800838"	1290.599623	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+NH4"	18.033823
"1695343"	442.222423	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+NH4"	18.033823
"343737"	433.7091495	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+H+NH4"	19.041099
"735793"	645.8034495	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+H+NH4"	19.041099
"1488520"	221.6148495	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H+NH4"	19.041099
"403921"	871.366418	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+Na"	22.989218
"768192"	1295.555018	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+Na"	22.989218
"1613014"	447.177818	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Na"	22.989218
"324142"	436.186847	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+H+Na"	23.996494
"712193"	648.281147	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+H+Na"	23.996494
"1475492"	224.092547	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H+Na"	23.996494
"1066194"	149.73079	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2H+Na"	25.00377
"1270784"	457.222086	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+CH3OH+H"	33.033486
"389724"	887.340358	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+K"	38.963158
"752541"	1311.528958	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+K"	38.963158
"1553498"	463.151758	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+K"	38.963158
"302294"	444.173817	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+H+K"	39.970434
"696539"	656.268117	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+H+K"	39.970434
"1447443"	232.079517	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H+K"	39.970434
"241148"	890.411026	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+ACN+H"	42.033826
"1216043"	466.222426	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+ACN+H"	42.033826
"1195552"	233.614851	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+ACN+2H"	43.041102
"189633"	893.34836	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+2Na-H"	44.97116
"628664"	1317.53696	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+2Na-H"	44.97116
"1134772"	469.15976	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2Na-H"	44.97116
"174778"	447.177818	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+2Na"	45.978436
"615800"	659.272118	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+2Na"	45.978436
"1118572"	235.083518	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2Na"	45.978436
"1405748"	157.058104	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H+2Na"	46.985712
"1431302"	471.201346	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H+HCOOH"	47.012746
"227560"	452.21084	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+3H2O+2H"	56.04448
"1513436"	485.25339	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+IsoProp+H"	61.06479
"418588"	455.164788	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+Na+K"	61.952376
"780685"	667.259088	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+Na+K"	61.952376
"1675920"	243.070488	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Na+K"	61.952376
"260255"	912.392968	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+ACN+Na"	64.015768
"1236241"	488.204368	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+ACN+Na"	64.015768
"1721848"	488.227893	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+NH4+HCOOH"	64.039293
"1188302"	164.385418	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+3Na"	68.967654
"1662206"	493.183288	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Na+HCOOH"	68.994688
"167243"	925.29624	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+2K-H"	76.91904
"608992"	1349.48484	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+2K-H"	76.91904
"1097152"	501.10764	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2K-H"	76.91904
"152508"	463.151758	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"2M+2K"	77.926316
"588789"	675.246058	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"3M+2K"	77.926316
"1072205"	251.057458	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2K"	77.926316
"1105413"	503.122192	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2K+H"	78.933592
"1336329"	503.209807	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+DMSO+H"	79.021207
"1005828"	507.248976	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2ACN+H"	83.060376
"1525537"	508.242608	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+IsoProp+Na+H"	84.054008
"1000366"	254.128126	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+2ACN+2H"	84.067652
"1595963"	509.157228	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+K+HCOOH"	84.968628
"1423808"	539.188738	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+H+CF3COOH"	115.000138
"1159929"	274.641401	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+3ACN+2H"	125.094202
"1704742"	556.215285	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+NH4+CF3COOH"	132.026685
"1645860"	561.17068	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+Na+CF3COOH"	136.98208
"1573856"	577.14462	"C15161"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate"	"C25H28O6"	"424.1886"	"M+K+CF3COOH"	152.95602
"807503"	393.2304	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M"	0
"984318"	374.21201	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H2O-H"	-19.01839
"70374"	261.146324	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-3H"	-3.021828
"506653"	392.223124	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-3H"	-3.021828
"882268"	130.069524	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-3H"	-3.021828
"1936"	392.223124	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H"	-2.014552
"440886"	588.838324	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H"	-2.014552
"820388"	195.607924	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H"	-2.014552
"80383"	785.453524	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-H"	-1.007276
"520309"	1178.683924	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-H"	-1.007276
"898843"	392.223124	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H"	-1.007276
"48114"	802.480071	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H+NH4"	16.019271
"488396"	1195.710471	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H+NH4"	16.019271
"872767"	409.249671	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H+NH4"	16.019271
"36294"	807.435466	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H+Na"	20.974666
"472691"	1200.665866	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H+Na"	20.974666
"852562"	414.205066	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H+Na"	20.974666
"1621000"	414.205066	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na-2H"	20.974666
"95096"	410.211463	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-H+Cl"	33.962126
"539279"	606.826663	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-H+Cl"	33.962126
"930611"	213.596263	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+Cl"	33.962126
"271723"	821.430202	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Cl"	34.969402
"664144"	1214.660602	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+Cl"	34.969402
"1273992"	428.199802	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl"	34.969402
"19103"	823.409406	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M-2H+K"	36.948606
"459392"	1216.639806	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M-2H+K"	36.948606
"835374"	430.179006	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-2H+K"	36.948606
"1560684"	430.179006	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K-2H"	36.948606
"943463"	438.228594	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+HCOOH"	44.998194
"362773"	831.459001	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+HCOOH-H"	44.998201
"350303"	845.474651	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Hac-H"	59.013851
"1497675"	452.244251	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Hac-H"	59.013851
"959503"	460.210551	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+NaCOOH"	66.980151
"114490"	428.199802	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2Cl"	69.938804
"552596"	624.815002	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2Cl"	69.938804
"1023215"	231.584602	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2Cl"	69.938804
"1246446"	472.149285	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Br"	78.918885
"1305244"	474.205272	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl+HCOOH"	80.974872
"1329309"	496.187229	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl+NaCOOH"	102.956829
"924746"	506.215986	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M-H+CF3COOH"	112.985586
"1303442"	542.192664	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Cl+CF3COOH"	148.962264
"1381683"	358.217724	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H-2H2O"	-35.012676
"1394927"	376.2277	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H-H2O"	-17.0027
"295710"	787.468076	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H"	1.007276
"687040"	1180.698476	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H"	1.007276
"1363387"	394.237676	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H"	1.007276
"137369"	394.237676	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2H"	2.014552
"576930"	590.852876	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2H"	2.014552
"1051932"	197.622476	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2H"	2.014552
"219106"	263.160876	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+3H"	3.021828
"659810"	394.237676	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+3H"	3.021828
"1177895"	132.084076	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+3H"	3.021828
"439581"	804.494623	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+NH4"	18.033823
"800338"	1197.725023	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+NH4"	18.033823
"1696544"	411.264223	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+NH4"	18.033823
"341293"	402.7509495	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H+NH4"	19.041099
"736993"	599.3661495	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H+NH4"	19.041099
"1492151"	206.1357495	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+NH4"	19.041099
"406216"	809.450018	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Na"	22.989218
"766115"	1202.680418	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+Na"	22.989218
"1616767"	416.219618	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na"	22.989218
"327167"	405.228647	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H+Na"	23.996494
"713391"	601.843847	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H+Na"	23.996494
"1475966"	208.613447	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+Na"	23.996494
"1067149"	139.41139	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2H+Na"	25.00377
"1267615"	426.263886	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+CH3OH+H"	33.033486
"388375"	825.423958	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+K"	38.963158
"749005"	1218.654358	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+K"	38.963158
"1549232"	432.193558	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K"	38.963158
"302038"	413.215617	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+H+K"	39.970434
"695919"	609.830817	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+H+K"	39.970434
"1447188"	216.600417	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+K"	39.970434
"238706"	828.494626	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+ACN+H"	42.033826
"1216153"	435.264226	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+ACN+H"	42.033826
"1196388"	218.135751	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+ACN+2H"	43.041102
"189987"	831.43196	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2Na-H"	44.97116
"630640"	1224.66236	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2Na-H"	44.97116
"1131748"	438.20156	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2Na-H"	44.97116
"174885"	416.219618	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2Na"	45.978436
"615540"	612.834818	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2Na"	45.978436
"1115916"	219.604418	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2Na"	45.978436
"1401477"	146.738704	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+2Na"	46.985712
"1432140"	440.243146	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+HCOOH"	47.012746
"225481"	421.25264	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+3H2O+2H"	56.04448
"1513544"	454.29519	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+IsoProp+H"	61.06479
"412136"	424.206588	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+Na+K"	61.952376
"778606"	620.821788	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+Na+K"	61.952376
"1672748"	227.591388	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na+K"	61.952376
"260362"	850.476568	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+ACN+Na"	64.015768
"1234894"	457.246168	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+ACN+Na"	64.015768
"1718677"	457.269693	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+NH4+HCOOH"	64.039293
"1188048"	154.066018	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+3Na"	68.967654
"1657941"	462.225088	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na+HCOOH"	68.994688
"160792"	863.37984	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2K-H"	76.91904
"604729"	1256.61024	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2K-H"	76.91904
"1091428"	470.14944	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2K-H"	76.91904
"146058"	432.193558	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"2M+2K"	77.926316
"584524"	628.808758	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"3M+2K"	77.926316
"1069397"	235.578358	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2K"	77.926316
"1099947"	472.163992	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2K+H"	78.933592
"1335647"	472.251607	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+DMSO+H"	79.021207
"1006171"	476.290776	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2ACN+H"	83.060376
"1525646"	477.284408	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+IsoProp+Na+H"	84.054008
"993916"	238.649026	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+2ACN+2H"	84.067652
"1592792"	478.199028	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K+HCOOH"	84.968628
"1421731"	508.230538	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+H+CF3COOH"	115.000138
"1154207"	259.162301	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+3ACN+2H"	125.094202
"1701570"	525.257085	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+NH4+CF3COOH"	132.026685
"1634173"	530.21248	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+Na+CF3COOH"	136.98208
"1571899"	546.18642	"C15162"	"22-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	"C25H31NO3"	"393.2304"	"M+K+CF3COOH"	152.95602
"810893"	391.2511	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M"	0
"985522"	372.23271	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-H2O-H"	-19.01839
"73764"	259.826790666667	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M-3H"	-3.021828
"515511"	390.243824	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M-3H"	-3.021828
"883472"	129.409757333333	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-3H"	-3.021828
"2050"	390.243824	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M-2H"	-2.014552
"440878"	585.869374	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M-2H"	-2.014552
"822688"	194.618274	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-2H"	-2.014552
"81588"	781.494924	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M-H"	-1.007276
"519325"	1172.746024	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M-H"	-1.007276
"902233"	390.243824	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-H"	-1.007276
"48469"	798.521471	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M-2H+NH4"	16.019271
"489000"	1189.772571	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M-2H+NH4"	16.019271
"872877"	407.270371	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-2H+NH4"	16.019271
"35311"	803.476866	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M-2H+Na"	20.974666
"473776"	1194.727966	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M-2H+Na"	20.974666
"855952"	412.225766	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-2H+Na"	20.974666
"1621110"	412.225766	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Na-2H"	20.974666
"95205"	408.232163	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M-H+Cl"	33.962126
"538296"	603.857713	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M-H+Cl"	33.962126
"928650"	212.606613	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-H+Cl"	33.962126
"269035"	817.471602	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+Cl"	34.969402
"663160"	1208.722702	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+Cl"	34.969402
"1275560"	426.220502	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Cl"	34.969402
"17023"	819.450806	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M-2H+K"	36.948606
"460595"	1210.701906	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M-2H+K"	36.948606
"838765"	428.199706	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-2H+K"	36.948606
"1560794"	428.199706	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+K-2H"	36.948606
"946126"	436.249294	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-H+HCOOH"	44.998194
"363248"	827.500401	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+HCOOH-H"	44.998201
"349317"	841.516051	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+Hac-H"	59.013851
"1495962"	450.264951	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Hac-H"	59.013851
"962045"	458.231251	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-H+NaCOOH"	66.980151
"112774"	426.220502	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+2Cl"	69.938804
"555625"	621.846052	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+2Cl"	69.938804
"1022717"	230.594952	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2Cl"	69.938804
"1244370"	470.169985	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Br"	78.918885
"1305359"	472.225972	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Cl+HCOOH"	80.974872
"1329419"	494.207929	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Cl+NaCOOH"	102.956829
"926444"	504.236686	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M-H+CF3COOH"	112.985586
"1302786"	540.213364	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Cl+CF3COOH"	148.962264
"1381434"	356.238424	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H-2H2O"	-35.012676
"1397715"	374.2484	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H-H2O"	-17.0027
"294726"	783.509476	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+H"	1.007276
"688972"	1174.760576	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+H"	1.007276
"1364590"	392.258376	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H"	1.007276
"134198"	392.258376	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+2H"	2.014552
"578133"	587.883926	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+2H"	2.014552
"1050950"	196.632826	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2H"	2.014552
"215927"	261.841342666667	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+3H"	3.021828
"658415"	392.258376	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+3H"	3.021828
"1178449"	131.424309333333	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+3H"	3.021828
"438353"	800.536023	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+NH4"	18.033823
"801056"	1191.787123	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+NH4"	18.033823
"1696413"	409.284923	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+NH4"	18.033823
"344686"	400.7716495	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+H+NH4"	19.041099
"737794"	596.3971995	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+H+NH4"	19.041099
"1490926"	205.1460995	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H+NH4"	19.041099
"407302"	805.491418	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+Na"	22.989218
"767318"	1196.742518	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+Na"	22.989218
"1616879"	414.240318	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Na"	22.989218
"328736"	403.249347	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+H+Na"	23.996494
"721155"	598.874897	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+H+Na"	23.996494
"1475713"	207.623797	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H+Na"	23.996494
"1065679"	138.751623333333	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2H+Na"	25.00377
"1266633"	424.284586	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+CH3OH+H"	33.033486
"387394"	821.465358	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+K"	38.963158
"749480"	1212.716458	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+K"	38.963158
"1550437"	430.214258	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+K"	38.963158
"303241"	411.236317	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+H+K"	39.970434
"698945"	606.861867	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+H+K"	39.970434
"1448391"	215.610767	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H+K"	39.970434
"239545"	824.536026	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+ACN+H"	42.033826
"1211890"	433.284926	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+ACN+H"	42.033826
"1197593"	217.146101	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+ACN+2H"	43.041102
"189239"	827.47336	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+2Na-H"	44.97116
"629898"	1218.72446	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+2Na-H"	44.97116
"1132188"	436.22226	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2Na-H"	44.97116
"174995"	414.240318	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+2Na"	45.978436
"613826"	609.865868	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+2Na"	45.978436
"1115868"	218.614768	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2Na"	45.978436
"1400859"	146.078937333333	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H+2Na"	46.985712
"1433708"	438.263846	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H+HCOOH"	47.012746
"222306"	419.27334	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+3H2O+2H"	56.04448
"1513653"	452.31589	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+IsoProp+H"	61.06479
"413339"	422.227288	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+Na+K"	61.952376
"779812"	617.852838	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+Na+K"	61.952376
"1672857"	226.601738	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Na+K"	61.952376
"258285"	846.517968	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+ACN+Na"	64.015768
"1229540"	455.266868	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+ACN+Na"	64.015768
"1720247"	455.290393	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+NH4+HCOOH"	64.039293
"1183052"	153.406251333333	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+3Na"	68.967654
"1652216"	460.245788	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Na+HCOOH"	68.994688
"159078"	859.42124	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+2K-H"	76.91904
"603744"	1250.67234	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+2K-H"	76.91904
"1089352"	468.17014	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2K-H"	76.91904
"146168"	430.214258	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"2M+2K"	77.926316
"584634"	625.839808	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"3M+2K"	77.926316
"1069386"	234.588708	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2K"	77.926316
"1100357"	470.184692	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2K+H"	78.933592
"1337157"	470.272307	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+DMSO+H"	79.021207
"1005921"	474.311476	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2ACN+H"	83.060376
"1524180"	475.305108	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+IsoProp+Na+H"	84.054008
"991109"	237.659376	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+2ACN+2H"	84.067652
"1590715"	476.219728	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+K+HCOOH"	84.968628
"1422935"	506.251238	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+H+CF3COOH"	115.000138
"1156504"	258.172651	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+3ACN+2H"	125.094202
"1699492"	523.277785	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+NH4+CF3COOH"	132.026685
"1636236"	528.23318	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+Na+CF3COOH"	136.98208
"1571888"	544.20712	"C15163"	"17-(Benzylamino)methylestra-135(10)-triene-317beta-diol"	"C26H33NO2"	"391.2511"	"M+K+CF3COOH"	152.95602
"807723"	322.1944	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M"	0
"985632"	303.17601	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-H2O-H"	-19.01839
"65125"	213.788990666667	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M-3H"	-3.021828
"507967"	321.187124	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M-3H"	-3.021828
"881030"	106.390857333333	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-3H"	-3.021828
"2160"	321.187124	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M-2H"	-2.014552
"440080"	482.284324	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M-2H"	-2.014552
"818060"	160.089924	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-2H"	-2.014552
"79022"	643.381524	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M-H"	-1.007276
"518942"	965.575924	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M-H"	-1.007276
"899063"	321.187124	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-H"	-1.007276
"50159"	660.408071	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M-2H+NH4"	16.019271
"487569"	982.602471	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M-2H+NH4"	16.019271
"872987"	338.213671	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-2H+NH4"	16.019271
"32868"	665.363466	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M-2H+Na"	20.974666
"471942"	987.557866	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M-2H+Na"	20.974666
"856062"	343.169066	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-2H+Na"	20.974666
"1621220"	343.169066	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Na-2H"	20.974666
"95562"	339.175463	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M-H+Cl"	33.962126
"537312"	500.272663	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M-H+Cl"	33.962126
"928760"	178.078263	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-H+Cl"	33.962126
"268779"	679.358202	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+Cl"	34.969402
"663270"	1001.552602	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+Cl"	34.969402
"1273399"	357.163802	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Cl"	34.969402
"16283"	681.337406	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M-2H+K"	36.948606
"460705"	1003.531806	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M-2H+K"	36.948606
"838513"	359.143006	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-2H+K"	36.948606
"1559811"	359.143006	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+K-2H"	36.948606
"944778"	367.192594	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-H+HCOOH"	44.998194
"363361"	689.387001	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+HCOOH-H"	44.998201
"348702"	703.402651	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+Hac-H"	59.013851
"1496073"	381.208251	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Hac-H"	59.013851
"961790"	389.174551	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-H+NaCOOH"	66.980151
"112156"	357.163802	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+2Cl"	69.938804
"556829"	518.261002	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+2Cl"	69.938804
"1024166"	196.066602	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2Cl"	69.938804
"1243388"	401.113285	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Br"	78.918885
"1306930"	403.169272	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Cl+HCOOH"	80.974872
"1322969"	425.151229	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Cl+NaCOOH"	102.956829
"926062"	435.179986	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M-H+CF3COOH"	112.985586
"1302769"	471.156664	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Cl+CF3COOH"	148.962264
"1378743"	287.181724	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H-2H2O"	-35.012676
"1389680"	305.1917	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H-H2O"	-17.0027
"292649"	645.396076	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+H"	1.007276
"689447"	967.590476	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+H"	1.007276
"1365065"	323.201676	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H"	1.007276
"134308"	323.201676	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+2H"	2.014552
"578243"	484.298876	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+2H"	2.014552
"1051056"	162.104476	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2H"	2.014552
"216037"	215.803542666667	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+3H"	3.021828
"659376"	323.201676	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+3H"	3.021828
"1178354"	108.405409333333	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+3H"	3.021828
"434818"	662.422623	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+NH4"	18.033823
"801040"	984.617023	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+NH4"	18.033823
"1696642"	340.228223	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+NH4"	18.033823
"345599"	331.7149495	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+H+NH4"	19.041099
"736852"	492.8121495	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+H+NH4"	19.041099
"1488848"	170.6177495	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H+NH4"	19.041099
"406437"	667.378018	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+Na"	22.989218
"769254"	989.572418	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+Na"	22.989218
"1618082"	345.183618	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Na"	22.989218
"329211"	334.192647	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+H+Na"	23.996494
"720172"	495.289847	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+H+Na"	23.996494
"1475823"	173.095447	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H+Na"	23.996494
"1065788"	115.732723333333	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2H+Na"	25.00377
"1266742"	355.227886	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+CH3OH+H"	33.033486
"387503"	683.351958	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+K"	38.963158
"751777"	1005.546358	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+K"	38.963158
"1551641"	361.157558	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+K"	38.963158
"303351"	342.179617	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+H+K"	39.970434
"699055"	503.276817	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+H+K"	39.970434
"1448501"	181.082417	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H+K"	39.970434
"241478"	686.422626	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+ACN+H"	42.033826
"1213093"	364.228226	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+ACN+H"	42.033826
"1199161"	182.617751	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+ACN+2H"	43.041102
"189227"	689.35996	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+2Na-H"	44.97116
"631224"	1011.55436	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+2Na-H"	44.97116
"1132544"	367.16556	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2Na-H"	44.97116
"175105"	345.183618	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+2Na"	45.978436
"613815"	506.280818	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+2Na"	45.978436
"1115796"	184.086418	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2Na"	45.978436
"1402061"	123.060037333333	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H+2Na"	46.985712
"1433818"	369.207146	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H+HCOOH"	47.012746
"221686"	350.21664	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+3H2O+2H"	56.04448
"1510118"	383.25919	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+IsoProp+H"	61.06479
"412355"	353.170588	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+Na+K"	61.952376
"781746"	514.267788	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+Na+K"	61.952376
"1677346"	192.073388	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Na+K"	61.952376
"262770"	708.404568	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+ACN+Na"	64.015768
"1236210"	386.210168	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+ACN+Na"	64.015768
"1721086"	386.233693	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+NH4+HCOOH"	64.039293
"1183163"	130.387351333333	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+3Na"	68.967654
"1651355"	391.189088	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Na+HCOOH"	68.994688
"159188"	721.30784	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+2K-H"	76.91904
"606039"	1043.50224	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+2K-H"	76.91904
"1090551"	399.11344	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2K-H"	76.91904
"145180"	361.157558	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"2M+2K"	77.926316
"589115"	522.254758	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"3M+2K"	77.926316
"1069122"	200.060358	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2K"	77.926316
"1100506"	401.127992	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2K+H"	78.933592
"1337389"	401.215607	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+DMSO+H"	79.021207
"1006764"	405.254776	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2ACN+H"	83.060376
"1527687"	406.248408	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+IsoProp+Na+H"	84.054008
"990975"	203.131026	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+2ACN+2H"	84.067652
"1593011"	407.163028	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+K+HCOOH"	84.968628
"1424138"	437.194538	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+H+CF3COOH"	115.000138
"1157707"	223.644301	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+3ACN+2H"	125.094202
"1699966"	454.221085	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+NH4+CF3COOH"	132.026685
"1636346"	459.17648	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+Na+CF3COOH"	136.98208
"1571998"	475.15042	"C15164"	"12alpha-Fluoro-11beta17beta-dihydroxyandrost-4-en-3-one"	"C19H27FO3"	"322.1944"	"M+K+CF3COOH"	152.95602
"807833"	320.1788	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M"	0
"984648"	301.16041	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-H2O-H"	-19.01839
"64142"	212.445257333333	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M-3H"	-3.021828
"508076"	319.171524	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M-3H"	-3.021828
"880207"	105.718990666667	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-3H"	-3.021828
"280"	319.171524	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M-2H"	-2.014552
"440410"	479.260924	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M-2H"	-2.014552
"817442"	159.082124	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-2H"	-2.014552
"79621"	639.350324	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M-H"	-1.007276
"518688"	959.529124	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M-H"	-1.007276
"902453"	319.171524	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-H"	-1.007276
"54643"	656.376871	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M-2H+NH4"	16.019271
"492016"	976.555671	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M-2H+NH4"	16.019271
"873097"	336.198071	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-2H+NH4"	16.019271
"35531"	661.332266	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M-2H+Na"	20.974666
"478370"	981.511066	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M-2H+Na"	20.974666
"856172"	341.153466	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-2H+Na"	20.974666
"1623517"	341.153466	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Na-2H"	20.974666
"96766"	337.159863	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M-H+Cl"	33.962126
"540703"	497.249263	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M-H+Cl"	33.962126
"928750"	177.070463	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-H+Cl"	33.962126
"273872"	675.327002	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+Cl"	34.969402
"660092"	995.505802	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+Cl"	34.969402
"1273468"	355.148202	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Cl"	34.969402
"15720"	677.306206	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M-2H+K"	36.948606
"460086"	997.485006	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M-2H+K"	36.948606
"838623"	357.127406	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-2H+K"	36.948606
"1559923"	357.127406	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+K-2H"	36.948606
"944527"	365.176994	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-H+HCOOH"	44.998194
"363107"	685.355801	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+HCOOH-H"	44.998201
"349905"	699.371451	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+Hac-H"	59.013851
"1495455"	379.192651	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Hac-H"	59.013851
"960071"	387.158951	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-H+NaCOOH"	66.980151
"110923"	355.148202	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+2Cl"	69.938804
"560219"	515.237602	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+2Cl"	69.938804
"1026829"	195.058802	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2Cl"	69.938804
"1244218"	399.097685	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Br"	78.918885
"1304852"	401.153672	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Cl+HCOOH"	80.974872
"1321620"	423.135629	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Cl+NaCOOH"	102.956829
"919608"	433.164386	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M-H+CF3COOH"	112.985586
"1296317"	469.141064	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Cl+CF3COOH"	148.962264
"1378853"	285.166124	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H-2H2O"	-35.012676
"1388697"	303.1761	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H-H2O"	-17.0027
"289479"	641.364876	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+H"	1.007276
"686275"	961.543676	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+H"	1.007276
"1360436"	321.186076	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H"	1.007276
"134417"	321.186076	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+2H"	2.014552
"576166"	481.275476	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+2H"	2.014552
"1051045"	161.096676	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2H"	2.014552
"212867"	214.459809333333	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+3H"	3.021828
"659567"	321.186076	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+3H"	3.021828
"1178180"	107.733542666667	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+3H"	3.021828
"434927"	658.391423	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+NH4"	18.033823
"795922"	978.570223	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+NH4"	18.033823
"1693714"	338.212623	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+NH4"	18.033823
"341624"	329.6993495	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+H+NH4"	19.041099
"734044"	489.7887495	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+H+NH4"	19.041099
"1488956"	169.6099495	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H+NH4"	19.041099
"405452"	663.346818	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+Na"	22.989218
"767178"	983.525618	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+Na"	22.989218
"1616369"	343.168018	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Na"	22.989218
"328955"	332.177047	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+H+Na"	23.996494
"718095"	492.266447	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+H+Na"	23.996494
"1470827"	172.087647	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H+Na"	23.996494
"1062981"	115.060856666667	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2H+Na"	25.00377
"1265757"	353.212286	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+CH3OH+H"	33.033486
"388705"	679.320758	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+K"	38.963158
"750793"	999.499558	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+K"	38.963158
"1550658"	359.141958	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+K"	38.963158
"303461"	340.164017	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+H+K"	39.970434
"698069"	500.253417	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+H+K"	39.970434
"1451891"	180.074617	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H+K"	39.970434
"240495"	682.391426	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+ACN+H"	42.033826
"1214296"	362.212626	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+ACN+H"	42.033826
"1199271"	181.609951	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+ACN+2H"	43.041102
"190316"	685.32876	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+2Na-H"	44.97116
"632428"	1005.50756	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+2Na-H"	44.97116
"1133383"	365.14996	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2Na-H"	44.97116
"174487"	343.168018	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+2Na"	45.978436
"615141"	503.257418	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+2Na"	45.978436
"1116333"	183.078618	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2Na"	45.978436
"1401443"	122.388170666667	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H+2Na"	46.985712
"1432835"	367.191546	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H+HCOOH"	47.012746
"222159"	348.20104	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+3H2O+2H"	56.04448
"1510957"	381.24359	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+IsoProp+H"	61.06479
"410643"	351.154988	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+Na+K"	61.952376
"782948"	511.244388	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+Na+K"	61.952376
"1678548"	191.065588	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Na+K"	61.952376
"263973"	704.373368	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+ACN+Na"	64.015768
"1235956"	384.194568	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+ACN+Na"	64.015768
"1719009"	384.218093	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+NH4+HCOOH"	64.039293
"1181086"	129.715484666667	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+3Na"	68.967654
"1652437"	389.173488	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Na+HCOOH"	68.994688
"157961"	717.27664	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+2K-H"	76.91904
"606149"	1037.45544	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+2K-H"	76.91904
"1090661"	397.09784	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2K-H"	76.91904
"143103"	359.141958	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"2M+2K"	77.926316
"589225"	519.231358	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"3M+2K"	77.926316
"1068584"	199.052558	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2K"	77.926316
"1100257"	399.112392	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2K+H"	78.933592
"1336162"	399.200007	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+DMSO+H"	79.021207
"1006755"	403.239176	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2ACN+H"	83.060376
"1526703"	404.232808	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+IsoProp+Na+H"	84.054008
"992058"	202.123226	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+2ACN+2H"	84.067652
"1593121"	405.147428	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+K+HCOOH"	84.968628
"1422062"	435.178938	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+H+CF3COOH"	115.000138
"1155631"	222.636501	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+3ACN+2H"	125.094202
"1698982"	452.205485	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+NH4+CF3COOH"	132.026685
"1635363"	457.16088	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+Na+CF3COOH"	136.98208
"1572108"	473.13482	"C15165"	"12alpha-Fluoro-11beta17beta-dihydroxyandrosta-14-dien-3-one"	"C19H25FO3"	"320.1788"	"M+K+CF3COOH"	152.95602
"807943"	350.2257	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M"	0
"984758"	331.20731	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H2O-H"	-19.01839
"70812"	232.476524	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-3H"	-3.021828
"514746"	349.218424	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-3H"	-3.021828
"882708"	115.734624	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-3H"	-3.021828
"3470"	349.218424	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H"	-2.014552
"441208"	524.331274	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H"	-2.014552
"819737"	174.105574	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H"	-2.014552
"80824"	699.444124	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-H"	-1.007276
"519166"	1049.669824	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-H"	-1.007276
"901470"	349.218424	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H"	-1.007276
"49283"	716.470671	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+NH4"	16.019271
"491033"	1066.696371	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+NH4"	16.019271
"869926"	366.244971	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H+NH4"	16.019271
"35641"	721.426066	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+Na"	20.974666
"477387"	1071.651766	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+Na"	20.974666
"859563"	371.200366	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H+Na"	20.974666
"1626907"	371.200366	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na-2H"	20.974666
"100156"	367.206763	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-H+Cl"	33.962126
"546280"	542.319613	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-H+Cl"	33.962126
"932141"	192.093913	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+Cl"	33.962126
"275074"	735.420802	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Cl"	34.969402
"665308"	1085.646502	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+Cl"	34.969402
"1278804"	385.195102	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl"	34.969402
"19172"	737.400006	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M-2H+K"	36.948606
"459826"	1087.625706	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M-2H+K"	36.948606
"838731"	387.174306	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-2H+K"	36.948606
"1566594"	387.174306	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K-2H"	36.948606
"949011"	395.223894	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+HCOOH"	44.998194
"371600"	745.449601	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+HCOOH-H"	44.998201
"352203"	759.465251	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Hac-H"	59.013851
"1497754"	409.239551	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Hac-H"	59.013851
"959458"	417.205851	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+NaCOOH"	66.980151
"110915"	385.195102	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2Cl"	69.938804
"552674"	560.307952	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2Cl"	69.938804
"1025846"	210.082252	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2Cl"	69.938804
"1245058"	429.144585	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Br"	78.918885
"1304254"	431.200572	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+HCOOH"	80.974872
"1320637"	453.182529	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+NaCOOH"	102.956829
"917532"	463.211286	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M-H+CF3COOH"	112.985586
"1296427"	499.187964	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Cl+CF3COOH"	148.962264
"1377870"	315.213024	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H-2H2O"	-35.012676
"1388807"	333.223	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H-H2O"	-17.0027
"286309"	701.458676	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H"	1.007276
"683104"	1051.684376	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H"	1.007276
"1359452"	351.232976	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H"	1.007276
"134528"	351.232976	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2H"	2.014552
"576277"	526.345826	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2H"	2.014552
"1050548"	176.120126	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2H"	2.014552
"212977"	234.491076	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+3H"	3.021828
"657286"	351.232976	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+3H"	3.021828
"1176993"	117.749176	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+3H"	3.021828
"437224"	718.485223	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+NH4"	18.033823
"793845"	1068.710923	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+NH4"	18.033823
"1694185"	368.259523	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+NH4"	18.033823
"338454"	359.7462495	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H+NH4"	19.041099
"729781"	534.8590995	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H+NH4"	19.041099
"1483600"	184.6333995	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+NH4"	19.041099
"399001"	723.440618	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Na"	22.989218
"762183"	1073.666318	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+Na"	22.989218
"1615748"	373.214918	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na"	22.989218
"324691"	362.223947	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H+Na"	23.996494
"718205"	537.336797	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H+Na"	23.996494
"1472031"	187.111097	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+Na"	23.996494
"1064549"	125.07649	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2H+Na"	25.00377
"1268416"	383.259186	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+CH3OH+H"	33.033486
"387720"	739.414558	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+K"	38.963158
"749806"	1089.640258	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+K"	38.963158
"1549669"	389.188858	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K"	38.963158
"305758"	370.210917	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+H+K"	39.970434
"701459"	545.323767	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+H+K"	39.970434
"1450907"	195.098067	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+K"	39.970434
"240603"	742.485226	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+ACN+H"	42.033826
"1212219"	392.259526	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+H"	42.033826
"1199382"	196.633401	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+2H"	43.041102
"191886"	745.42256	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2Na-H"	44.97116
"632174"	1095.64826	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2Na-H"	44.97116
"1132764"	395.19686	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2Na-H"	44.97116
"173745"	373.214918	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2Na"	45.978436
"613668"	548.327768	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2Na"	45.978436
"1116037"	198.102068	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2Na"	45.978436
"1400457"	132.403804	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+2Na"	46.985712
"1433309"	397.238446	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+HCOOH"	47.012746
"222998"	378.24794	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+3H2O+2H"	56.04448
"1510333"	411.29049	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+IsoProp+H"	61.06479
"409294"	381.201888	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+Na+K"	61.952376
"781599"	556.314738	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+Na+K"	61.952376
"1676470"	206.089038	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na+K"	61.952376
"259709"	764.467168	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+ACN+Na"	64.015768
"1233513"	414.241468	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+ACN+Na"	64.015768
"1717658"	414.264993	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+NH4+HCOOH"	64.039293
"1181923"	139.731118	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+3Na"	68.967654
"1651085"	419.220388	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na+HCOOH"	68.994688
"158676"	777.37044	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2K-H"	76.91904
"604072"	1127.59614	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2K-H"	76.91904
"1088584"	427.14474	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2K-H"	76.91904
"142241"	389.188858	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"2M+2K"	77.926316
"581431"	564.301708	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"3M+2K"	77.926316
"1068608"	214.076008	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2K"	77.926316
"1100084"	429.159292	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2K+H"	78.933592
"1335704"	429.246907	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+DMSO+H"	79.021207
"1005689"	433.286076	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2ACN+H"	83.060376
"1524186"	434.279708	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+IsoProp+Na+H"	84.054008
"991073"	217.146676	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+2ACN+2H"	84.067652
"1592137"	435.194328	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K+HCOOH"	84.968628
"1419985"	465.225838	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+H+CF3COOH"	115.000138
"1151365"	237.659951	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+3ACN+2H"	125.094202
"1698364"	482.252385	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+NH4+CF3COOH"	132.026685
"1635108"	487.20778	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+Na+CF3COOH"	136.98208
"1571851"	503.18172	"C15166"	"5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate;(2alpha5alpha17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one"	"C21H31FO3"	"350.2257"	"M+K+CF3COOH"	152.95602
"808053"	312.2089	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M"	0
"981588"	293.19051	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"70922"	207.131990666667	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"514856"	311.201624	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"880751"	103.062357333333	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"5767"	311.201624	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"445328"	467.306074	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"818876"	155.097174	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"80446"	623.410524	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"518589"	935.619424	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"900487"	311.201624	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"48663"	640.437071	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"492236"	952.645971	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"868943"	328.228171	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"40126"	645.392466	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"479685"	957.601366	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"859674"	333.183566	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1628111"	333.183566	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"100266"	329.189963	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"546390"	485.294413	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"932251"	173.085513	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"272268"	659.387202	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"668698"	971.596102	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1281102"	347.178302	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"16734"	661.366406	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"458114"	973.575306	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"838841"	349.157506	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1563421"	349.157506	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"952401"	357.207094	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"370253"	669.416001	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"355593"	683.431651	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1497864"	371.222751	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"959325"	379.189051	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"112242"	347.178302	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"553512"	503.282752	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1026320"	191.073852	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1244803"	391.127785	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1310176"	393.183772	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1328766"	415.165729	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"917642"	425.194486	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1298724"	461.171164	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1381625"	277.196224	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1395477"	295.2062	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"290792"	625.425076	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"684307"	937.633976	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1363935"	313.216176	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"136824"	313.216176	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"581009"	469.320626	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1050662"	157.111726	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"215273"	209.146542666667	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"658491"	313.216176	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1177350"	105.076909333333	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"437333"	642.451623	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"792861"	954.660523	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1695390"	330.242723	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"338564"	321.7294495	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"735358"	477.8338995	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1483711"	165.6249995	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"399111"	647.407018	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"764480"	959.615918	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1611485"	335.198118	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"323708"	324.207147	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"720502"	480.311597	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1473233"	168.102697	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1063201"	112.404223333333	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1268160"	345.242386	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"386736"	663.380958	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"748823"	975.589858	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1550872"	351.172058	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"309147"	332.194117	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"700476"	488.298567	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1447006"	176.089667	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"237066"	666.451626	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1210501"	354.242726	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1196576"	177.625001	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"189443"	669.38896	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"630462"	981.59786	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1132874"	357.18006	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"175800"	335.198118	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"613659"	491.302568	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1116434"	179.093668	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1398743"	119.731537333333	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1431229"	359.221646	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"222380"	340.23114	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1508983"	373.27369	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"409036"	343.185088	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"782439"	499.289538	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1678767"	187.080638	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"263099"	688.433568	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1237996"	376.224668	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1719228"	376.248193	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1181667"	127.058851333333	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1652288"	381.203588	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"158056"	701.33684	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"601994"	1013.54574	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1088694"	389.12794	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"142350"	351.172058	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"583977"	507.276508	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1069007"	195.067608	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1100475"	391.142492	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1338083"	391.230107	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1006487"	395.269276	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1526923"	396.262908	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"995557"	198.138276	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1592247"	397.177528	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1416813"	427.209038	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1150382"	218.651551	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1697864"	444.235585	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1635218"	449.19098	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1571597"	465.16492	"C15167"	"3-Methoxy-19-norpregna-135(10)-trien-20-one"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"815818"	268.1463	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M"	0
"984980"	249.12791	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-H2O-H"	-19.01839
"78284"	177.756924	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M-3H"	-3.021828
"514969"	267.139024	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M-3H"	-3.021828
"885115"	88.374824	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-3H"	-3.021828
"8064"	267.139024	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M-2H"	-2.014552
"444345"	401.212174	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M-2H"	-2.014552
"819959"	133.065874	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-2H"	-2.014552
"81045"	535.285324	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M-H"	-1.007276
"519142"	803.431624	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M-H"	-1.007276
"899868"	267.139024	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-H"	-1.007276
"48285"	552.311871	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M-2H+NH4"	16.019271
"496721"	820.458171	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M-2H+NH4"	16.019271
"869054"	284.165571	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-2H+NH4"	16.019271
"39144"	557.267266	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M-2H+Na"	20.974666
"481984"	825.413566	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M-2H+Na"	20.974666
"855411"	289.120966	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-2H+Na"	20.974666
"1629316"	289.120966	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Na-2H"	20.974666
"100376"	285.127363	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M-H+Cl"	33.962126
"538844"	419.200513	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M-H+Cl"	33.962126
"931268"	151.054213	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-H+Cl"	33.962126
"270920"	571.262002	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+Cl"	34.969402
"665528"	839.408302	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+Cl"	34.969402
"1277203"	303.115702	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Cl"	34.969402
"17086"	573.241206	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M-2H+K"	36.948606
"458224"	841.387506	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M-2H+K"	36.948606
"840044"	305.094906	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-2H+K"	36.948606
"1561344"	305.094906	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+K-2H"	36.948606
"948135"	313.144494	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-H+HCOOH"	44.998194
"367445"	581.290801	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+HCOOH-H"	44.998201
"349867"	595.306451	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+Hac-H"	59.013851
"1499066"	327.160151	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Hac-H"	59.013851
"959799"	335.126451	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-H+NaCOOH"	66.980151
"111862"	303.115702	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+2Cl"	69.938804
"551427"	437.188852	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+2Cl"	69.938804
"1024235"	169.042552	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2Cl"	69.938804
"1245637"	347.065185	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Br"	78.918885
"1312472"	349.121172	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Cl+HCOOH"	80.974872
"1331062"	371.103129	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Cl+NaCOOH"	102.956829
"917747"	381.131886	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M-H+CF3COOH"	112.985586
"1291175"	417.108564	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Cl+CF3COOH"	148.962264
"1380278"	233.133624	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H-2H2O"	-35.012676
"1394494"	251.1436	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H-H2O"	-17.0027
"290902"	537.299876	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+H"	1.007276
"683324"	805.446176	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+H"	1.007276
"1360765"	269.153576	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H"	1.007276
"135841"	269.153576	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+2H"	2.014552
"579413"	403.226726	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+2H"	2.014552
"1052228"	135.080426	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2H"	2.014552
"215383"	179.771476	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+3H"	3.021828
"658722"	269.153576	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+3H"	3.021828
"1178068"	90.389376	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+3H"	3.021828
"438174"	554.326423	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+NH4"	18.033823
"800263"	822.472723	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+NH4"	18.033823
"1695134"	286.180123	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+NH4"	18.033823
"341955"	277.6668495	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+H+NH4"	19.041099
"736563"	411.7399995	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+H+NH4"	19.041099
"1487102"	143.5936995	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H+NH4"	19.041099
"403595"	559.281818	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+Na"	22.989218
"768965"	827.428118	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+Na"	22.989218
"1614875"	291.135518	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Na"	22.989218
"323818"	280.144547	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+H+Na"	23.996494
"716239"	414.217697	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+H+Na"	23.996494
"1475166"	146.071397	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H+Na"	23.996494
"1064402"	97.71669	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2H+Na"	25.00377
"1264992"	301.179786	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+CH3OH+H"	33.033486
"389762"	575.255758	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+K"	38.963158
"750026"	843.402058	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+K"	38.963158
"1545515"	307.109458	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+K"	38.963158
"308164"	288.131517	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+H+K"	39.970434
"696211"	422.204667	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+H+K"	39.970434
"1450033"	154.058367	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H+K"	39.970434
"243008"	578.326426	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+ACN+H"	42.033826
"1210733"	310.180126	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+ACN+H"	42.033826
"1198509"	155.593701	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+ACN+2H"	43.041102
"192472"	581.26376	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+2Na-H"	44.97116
"630572"	849.41006	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+2Na-H"	44.97116
"1136266"	313.11746	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2Na-H"	44.97116
"176641"	291.135518	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+2Na"	45.978436
"615471"	425.208668	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+2Na"	45.978436
"1117030"	157.062368	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2Na"	45.978436
"1400189"	105.044004	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H+2Na"	46.985712
"1430975"	315.159046	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H+HCOOH"	47.012746
"223221"	296.16854	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+3H2O+2H"	56.04448
"1509337"	329.21109	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+IsoProp+H"	61.06479
"408782"	299.122488	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+Na+K"	61.952376
"782912"	433.195638	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+Na+K"	61.952376
"1677784"	165.049338	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Na+K"	61.952376
"263209"	600.308368	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+ACN+Na"	64.015768
"1234825"	332.162068	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+ACN+Na"	64.015768
"1718245"	332.185593	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+NH4+HCOOH"	64.039293
"1181775"	112.371318	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+3Na"	68.967654
"1652033"	337.140988	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Na+HCOOH"	68.994688
"157234"	613.21164	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+2K-H"	76.91904
"598824"	881.35794	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+2K-H"	76.91904
"1087710"	345.06534	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2K-H"	76.91904
"142460"	307.109458	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"2M+2K"	77.926316
"581488"	441.182608	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"3M+2K"	77.926316
"1068486"	173.036308	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2K"	77.926316
"1100220"	347.079892	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2K+H"	78.933592
"1338193"	347.167507	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+DMSO+H"	79.021207
"1007327"	351.206676	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2ACN+H"	83.060376
"1525209"	352.200308	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+IsoProp+Na+H"	84.054008
"992388"	176.106976	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+2ACN+2H"	84.067652
"1589077"	353.114928	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+K+HCOOH"	84.968628
"1415221"	383.146438	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+H+CF3COOH"	115.000138
"1154865"	196.620251	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+3ACN+2H"	125.094202
"1698949"	400.172985	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+NH4+CF3COOH"	132.026685
"1636057"	405.12838	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+Na+CF3COOH"	136.98208
"1572072"	421.10232	"C15168"	"44-(2-Ethyl-1-butenylidene)diphenol;11-Bis(4-hydroxyphenyl)-2-ethyl-1-butene"	"C18H20O2"	"268.1463"	"M+K+CF3COOH"	152.95602
"808273"	304.1839	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M"	0
"983996"	285.16551	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H2O-H"	-19.01839
"76977"	201.781990666667	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-3H"	-3.021828
"516172"	303.176624	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-3H"	-3.021828
"881945"	100.387357333333	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-3H"	-3.021828
"3799"	303.176624	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H"	-2.014552
"444455"	455.268574	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H"	-2.014552
"821525"	151.084674	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H"	-2.014552
"81155"	607.360524	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-H"	-1.007276
"520228"	911.544424	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-H"	-1.007276
"899614"	303.176624	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H"	-1.007276
"48641"	624.387071	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H+NH4"	16.019271
"495737"	928.570971	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H+NH4"	16.019271
"870257"	320.203171	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H+NH4"	16.019271
"35973"	629.342466	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H+Na"	20.974666
"481001"	933.526366	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H+Na"	20.974666
"854428"	325.158566	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H+Na"	20.974666
"1627240"	325.158566	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na-2H"	20.974666
"100486"	321.164963	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-H+Cl"	33.962126
"537862"	473.256913	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-H+Cl"	33.962126
"931378"	169.073013	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+Cl"	33.962126
"267743"	643.337202	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Cl"	34.969402
"662722"	947.521102	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+Cl"	34.969402
"1275491"	339.153302	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl"	34.969402
"17682"	645.316406	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M-2H+K"	36.948606
"457241"	949.500306	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M-2H+K"	36.948606
"841247"	341.132506	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-2H+K"	36.948606
"1561454"	341.132506	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K-2H"	36.948606
"946057"	349.182094	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+HCOOH"	44.998194
"364270"	653.366001	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+HCOOH-H"	44.998201
"347055"	667.381651	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Hac-H"	59.013851
"1495520"	363.197751	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Hac-H"	59.013851
"960512"	371.164051	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+NaCOOH"	66.980151
"113427"	339.153302	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2Cl"	69.938804
"551893"	491.245252	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2Cl"	69.938804
"1022153"	187.061352	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2Cl"	69.938804
"1241490"	383.102785	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Br"	78.918885
"1304243"	385.158772	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl+HCOOH"	80.974872
"1324240"	407.140729	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl+NaCOOH"	102.956829
"914567"	417.169486	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M-H+CF3COOH"	112.985586
"1300030"	453.146164	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Cl+CF3COOH"	148.962264
"1379293"	269.171224	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H-2H2O"	-35.012676
"1394601"	287.1812	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H-H2O"	-17.0027
"296480"	609.375076	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H"	1.007276
"690361"	913.558976	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H"	1.007276
"1363062"	305.191176	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H"	1.007276
"137044"	305.191176	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2H"	2.014552
"580495"	457.283126	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2H"	2.014552
"1051246"	153.099226	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2H"	2.014552
"215493"	203.796542666667	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+3H"	3.021828
"659767"	305.191176	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+3H"	3.021828
"1178424"	102.401909333333	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+3H"	3.021828
"438287"	626.401623	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+NH4"	18.033823
"800007"	930.585523	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+NH4"	18.033823
"1695243"	322.217723	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+NH4"	18.033823
"336598"	313.7044495	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H+NH4"	19.041099
"731205"	465.7963995	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H+NH4"	19.041099
"1483931"	161.6124995	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+NH4"	19.041099
"406258"	631.357018	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Na"	22.989218
"766888"	935.540918	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+Na"	22.989218
"1610611"	327.173118	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na"	22.989218
"320648"	316.182147	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H+Na"	23.996494
"710882"	468.274097	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H+Na"	23.996494
"1475278"	164.090197	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+Na"	23.996494
"1063418"	109.729223333333	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2H+Na"	25.00377
"1270203"	337.217386	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+CH3OH+H"	33.033486
"389507"	647.330958	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+K"	38.963158
"750866"	951.514858	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+K"	38.963158
"1547812"	343.147058	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K"	38.963158
"309367"	324.169117	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+H+K"	39.970434
"699601"	476.261067	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+H+K"	39.970434
"1451236"	172.077167	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+K"	39.970434
"243118"	650.401626	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+ACN+H"	42.033826
"1210596"	346.217726	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+ACN+H"	42.033826
"1197160"	173.612501	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+ACN+2H"	43.041102
"191854"	653.33896	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2Na-H"	44.97116
"631050"	957.52286	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2Na-H"	44.97116
"1136740"	349.15506	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2Na-H"	44.97116
"174681"	327.173118	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2Na"	45.978436
"614247"	479.265068	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2Na"	45.978436
"1116775"	175.081168	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2Na"	45.978436
"1399204"	117.056537333333	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+2Na"	46.985712
"1432179"	351.196646	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+HCOOH"	47.012746
"222237"	332.20614	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+3H2O+2H"	56.04448
"1509081"	365.24869	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+IsoProp+H"	61.06479
"409865"	335.160088	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+Na+K"	61.952376
"784119"	487.252038	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+Na+K"	61.952376
"1679840"	183.068138	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na+K"	61.952376
"258944"	672.383568	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+ACN+Na"	64.015768
"1238945"	368.199668	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+ACN+Na"	64.015768
"1720541"	368.223193	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+NH4+HCOOH"	64.039293
"1183711"	124.383851333333	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+3Na"	68.967654
"1652511"	373.178588	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na+HCOOH"	68.994688
"158153"	685.28684	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2K-H"	76.91904
"602214"	989.47074	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2K-H"	76.91904
"1087820"	381.10294	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2K-H"	76.91904
"143542"	343.147058	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"2M+2K"	77.926316
"583103"	495.239008	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"3M+2K"	77.926316
"1069185"	191.055108	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2K"	77.926316
"1100245"	383.117492	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2K+H"	78.933592
"1340490"	383.205107	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+DMSO+H"	79.021207
"1010112"	387.244276	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2ACN+H"	83.060376
"1524949"	388.237908	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+IsoProp+Na+H"	84.054008
"992498"	194.125776	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+2ACN+2H"	84.067652
"1589187"	389.152528	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K+HCOOH"	84.968628
"1417033"	419.184038	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+H+CF3COOH"	115.000138
"1154975"	214.639051	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+3ACN+2H"	125.094202
"1702339"	436.210585	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+NH4+CF3COOH"	132.026685
"1636896"	441.16598	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+Na+CF3COOH"	136.98208
"1572547"	457.13992	"C15169"	"16alpha-Fluoroandrost-4-ene-317-dione"	"C19H25FO2"	"304.1839"	"M+K+CF3COOH"	152.95602
"808383"	284.214	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M"	0
"984106"	265.19561	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"76723"	188.468724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"516648"	283.206724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"884241"	93.730724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"7189"	283.206724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"444565"	425.313724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"821271"	141.099724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"84544"	567.420724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"521919"	851.634724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"896195"	283.206724	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-H"	-1.007276
"47537"	584.447271	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"492566"	868.661271	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"869274"	300.233271	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"38268"	589.402666	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"477829"	873.616666	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"854536"	305.188666	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1626260"	305.188666	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"101691"	301.195063	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"539065"	443.302063	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"931488"	159.088063	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"273330"	603.397402	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"664292"	887.611402	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1278519"	319.183402	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"19615"	605.376606	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"456988"	889.590606	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"841357"	321.162606	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1561564"	321.162606	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"945799"	329.212194	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"364744"	613.426201	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"346071"	627.441851	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1493809"	343.227851	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"959165"	351.194151	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"110988"	319.183402	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"550911"	461.290402	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1022019"	177.076402	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1241841"	363.132885	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1304658"	365.188872	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1323622"	387.170829	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"913585"	397.199586	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1300140"	433.176264	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1380497"	249.201324	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1394711"	267.2113	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"292216"	569.435276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H"	1.007276
"684635"	853.649276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1360985"	285.221276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H"	1.007276
"137154"	285.221276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"577810"	427.328276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1050985"	143.114276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2H"	2.014552
"215603"	190.483276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"659269"	285.221276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1178408"	95.745276	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+3H"	3.021828
"437299"	586.461823	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"799996"	870.675823	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1694623"	302.247823	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"344361"	293.7345495	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"732408"	435.8415495	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1485135"	151.6275495	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"406003"	591.417218	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"766997"	875.631218	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1610721"	307.203218	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na"	22.989218
"324039"	296.212247	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"717553"	438.319247	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1475023"	154.105247	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1066809"	103.07259	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1268487"	317.247486	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"389979"	607.391158	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+K"	38.963158
"750973"	891.605158	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1549014"	323.177158	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+K"	38.963158
"307291"	304.199217	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"698618"	446.306217	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1449524"	162.092217	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"243227"	610.461826	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1219219"	326.247826	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1202009"	163.627551	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"192692"	613.39916	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"632253"	897.61316	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1140131"	329.18516	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"177954"	307.203218	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"614600"	449.310218	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1117369"	165.096218	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1400043"	110.399904	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1431674"	331.226746	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"222345"	312.23624	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1510772"	345.27879	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"410098"	315.190188	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"774010"	457.297188	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1671803"	173.083188	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"257961"	632.443768	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1237233"	348.229768	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1720651"	348.253293	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1183819"	117.727218	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1653714"	353.208688	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"158505"	645.34704	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"602324"	929.56104	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1087930"	361.13304	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"143652"	323.177158	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"583212"	465.284158	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1069171"	181.070158	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1100678"	363.147592	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1339506"	363.235207	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1010222"	367.274376	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1526159"	368.268008	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"993702"	184.140826	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1593670"	369.182628	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1419328"	399.214138	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1155085"	204.654101	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1700262"	416.240685	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1637006"	421.19608	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1572658"	437.17002	"C15170"	"17-Methyl-1819-dinor-17alpha-pregna-413-dien-3-one"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"808493"	378.2195	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M"	0
"985309"	359.20111	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-H2O-H"	-19.01839
"75740"	251.139057333333	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M-3H"	-3.021828
"515664"	377.212224	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M-3H"	-3.021828
"883259"	125.065890666667	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-3H"	-3.021828
"7300"	377.212224	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M-2H"	-2.014552
"446862"	566.321974	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M-2H"	-2.014552
"824663"	188.102474	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-2H"	-2.014552
"83562"	755.431724	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M-H"	-1.007276
"519474"	1133.651224	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M-H"	-1.007276
"895774"	377.212224	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-H"	-1.007276
"48010"	772.458271	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M-2H+NH4"	16.019271
"493769"	1150.677771	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M-2H+NH4"	16.019271
"869384"	394.238771	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-2H+NH4"	16.019271
"38378"	777.413666	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M-2H+Na"	20.974666
"473564"	1155.633166	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M-2H+Na"	20.974666
"851365"	399.194166	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-2H+Na"	20.974666
"1626367"	399.194166	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Na-2H"	20.974666
"99614"	395.200563	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M-H+Cl"	33.962126
"538082"	584.310313	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M-H+Cl"	33.962126
"931963"	206.090813	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-H+Cl"	33.962126
"272711"	791.408402	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+Cl"	34.969402
"665860"	1169.627902	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+Cl"	34.969402
"1278264"	413.188902	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Cl"	34.969402
"21912"	793.387606	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M-2H+K"	36.948606
"459285"	1171.607106	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M-2H+K"	36.948606
"840374"	415.168106	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-2H+K"	36.948606
"1559488"	415.168106	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+K-2H"	36.948606
"944452"	423.217694	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-H+HCOOH"	44.998194
"363761"	801.437201	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+HCOOH-H"	44.998201
"345707"	815.452851	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+Hac-H"	59.013851
"1492775"	437.233351	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Hac-H"	59.013851
"960369"	445.199651	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-H+NaCOOH"	66.980151
"111464"	413.188902	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+2Cl"	69.938804
"553575"	602.298652	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+2Cl"	69.938804
"1024562"	224.079152	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2Cl"	69.938804
"1243411"	457.138385	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Br"	78.918885
"1308775"	459.194372	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Cl+HCOOH"	80.974872
"1332479"	481.176329	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Cl+NaCOOH"	102.956829
"915517"	491.205086	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M-H+CF3COOH"	112.985586
"1300250"	527.181764	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Cl+CF3COOH"	148.962264
"1378420"	343.206824	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H-2H2O"	-35.012676
"1389354"	361.2168	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H-H2O"	-17.0027
"287949"	757.446276	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+H"	1.007276
"686932"	1135.665776	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+H"	1.007276
"1365105"	379.226776	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H"	1.007276
"139451"	379.226776	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+2H"	2.014552
"575733"	568.336526	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+2H"	2.014552
"1047815"	190.117026	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2H"	2.014552
"211340"	253.153609333333	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+3H"	3.021828
"659543"	379.226776	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+3H"	3.021828
"1177785"	127.080442666667	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+3H"	3.021828
"434493"	774.472823	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+NH4"	18.033823
"800590"	1152.692323	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+NH4"	18.033823
"1694004"	396.253323	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+NH4"	18.033823
"341191"	387.7400495	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+H+NH4"	19.041099
"728145"	576.8497995	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+H+NH4"	19.041099
"1485246"	198.6302995	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H+NH4"	19.041099
"397364"	779.428218	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+Na"	22.989218
"758359"	1157.647718	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+Na"	22.989218
"1604391"	401.208718	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Na"	22.989218
"323056"	390.217747	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+H+Na"	23.996494
"710008"	579.327497	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+H+Na"	23.996494
"1473312"	201.107997	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H+Na"	23.996494
"1063638"	134.407756666667	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2H+Na"	25.00377
"1268965"	411.252986	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+CH3OH+H"	33.033486
"388632"	795.402158	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+K"	38.963158
"747073"	1173.621658	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+K"	38.963158
"1546938"	417.182658	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+K"	38.963158
"308495"	398.204717	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+H+K"	39.970434
"696541"	587.314467	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+H+K"	39.970434
"1453643"	209.094967	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H+K"	39.970434
"243338"	798.472826	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+ACN+H"	42.033826
"1219328"	420.253326	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+ACN+H"	42.033826
"1202120"	210.630301	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+ACN+2H"	43.041102
"194989"	801.41016	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+2Na-H"	44.97116
"633457"	1179.62966	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+2Na-H"	44.97116
"1139147"	423.19066	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2Na-H"	44.97116
"181345"	401.208718	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+2Na"	45.978436
"615075"	590.318468	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+2Na"	45.978436
"1116388"	212.098968	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2Na"	45.978436
"1398619"	141.735070666667	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H+2Na"	46.985712
"1432761"	425.232246	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H+HCOOH"	47.012746
"221729"	406.24174	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+3H2O+2H"	56.04448
"1509424"	439.28429	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+IsoProp+H"	61.06479
"409844"	409.195688	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+Na+K"	61.952376
"773392"	598.305438	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+Na+K"	61.952376
"1669727"	220.085938	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Na+K"	61.952376
"258071"	820.454768	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+ACN+Na"	64.015768
"1237342"	442.235268	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+ACN+Na"	64.015768
"1716388"	442.258793	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+NH4+HCOOH"	64.039293
"1181742"	149.062384666667	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+3Na"	68.967654
"1653824"	447.214188	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Na+HCOOH"	68.994688
"158620"	833.35804	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+2K-H"	76.91904
"601341"	1211.57754	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+2K-H"	76.91904
"1085853"	455.13854	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2K-H"	76.91904
"143029"	417.182658	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"2M+2K"	77.926316
"583322"	606.292408	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"3M+2K"	77.926316
"1068488"	228.072908	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2K"	77.926316
"1100917"	457.153092	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2K+H"	78.933592
"1339617"	457.240707	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+DMSO+H"	79.021207
"1010332"	461.279876	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2ACN+H"	83.060376
"1524931"	462.273508	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+IsoProp+Na+H"	84.054008
"992718"	231.143576	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+2ACN+2H"	84.067652
"1591593"	463.188128	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+K+HCOOH"	84.968628
"1421626"	493.219638	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+H+CF3COOH"	115.000138
"1155195"	251.656851	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+3ACN+2H"	125.094202
"1699643"	510.246185	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+NH4+CF3COOH"	132.026685
"1636387"	515.20158	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+Na+CF3COOH"	136.98208
"1574955"	531.17552	"C15171"	"17beta-Hydroxyestr-4-en-3-one benzoate;Nandrolone benzoate"	"C25H30O3"	"378.2195"	"M+K+CF3COOH"	152.95602
"808603"	364.205	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M"	0
"987607"	345.18661	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-H2O-H"	-19.01839
"74753"	241.796057333333	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M-3H"	-3.021828
"514315"	363.197724	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M-3H"	-3.021828
"885555"	120.394390666667	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-3H"	-3.021828
"6316"	363.197724	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M-2H"	-2.014552
"448065"	545.300224	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M-2H"	-2.014552
"822586"	181.095224	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-2H"	-2.014552
"83672"	727.402724	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M-H"	-1.007276
"520073"	1091.607724	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M-H"	-1.007276
"897023"	363.197724	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-H"	-1.007276
"48120"	744.429271	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M-2H+NH4"	16.019271
"493879"	1108.634271	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M-2H+NH4"	16.019271
"869494"	380.224271	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-2H+NH4"	16.019271
"39582"	749.384666	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M-2H+Na"	20.974666
"476955"	1113.589666	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M-2H+Na"	20.974666
"856942"	385.179666	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-2H+Na"	20.974666
"1625383"	385.179666	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Na-2H"	20.974666
"101912"	381.186063	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M-H+Cl"	33.962126
"540379"	563.288563	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M-H+Cl"	33.962126
"933166"	199.083563	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-H+Cl"	33.962126
"277925"	763.379402	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+Cl"	34.969402
"671439"	1127.584402	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+Cl"	34.969402
"1284936"	399.174402	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Cl"	34.969402
"26399"	765.358606	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M-2H+K"	36.948606
"464864"	1129.563606	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M-2H+K"	36.948606
"839392"	401.153606	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-2H+K"	36.948606
"1559232"	401.153606	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+K-2H"	36.948606
"945658"	409.203194	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-H+HCOOH"	44.998194
"363870"	773.408201	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+HCOOH-H"	44.998201
"345967"	787.423851	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+Hac-H"	59.013851
"1497312"	423.218851	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Hac-H"	59.013851
"963760"	431.185151	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-H+NaCOOH"	66.980151
"117044"	399.174402	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+2Cl"	69.938804
"554780"	581.276902	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+2Cl"	69.938804
"1027954"	217.071902	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2Cl"	69.938804
"1243157"	443.123885	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Br"	78.918885
"1310710"	445.179872	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Cl+HCOOH"	80.974872
"1324197"	467.161829	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Cl+NaCOOH"	102.956829
"915256"	477.190586	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M-H+CF3COOH"	112.985586
"1300360"	513.167264	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Cl+CF3COOH"	148.962264
"1379614"	329.192324	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H-2H2O"	-35.012676
"1389463"	347.2023	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H-H2O"	-17.0027
"293526"	729.417276	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+H"	1.007276
"687042"	1093.622276	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+H"	1.007276
"1366312"	365.212276	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H"	1.007276
"138468"	365.212276	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+2H"	2.014552
"575843"	547.314776	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+2H"	2.014552
"1047925"	183.109776	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2H"	2.014552
"209264"	243.810609333333	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+3H"	3.021828
"659288"	365.212276	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+3H"	3.021828
"1178139"	122.408942666667	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+3H"	3.021828
"434603"	746.443823	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+NH4"	18.033823
"800821"	1110.648823	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+NH4"	18.033823
"1694113"	382.238823	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+NH4"	18.033823
"344581"	373.7255495	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+H+NH4"	19.041099
"726069"	555.8280495	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+H+NH4"	19.041099
"1484262"	191.6230495	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H+NH4"	19.041099
"399661"	751.399218	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+Na"	22.989218
"759562"	1115.604218	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+Na"	22.989218
"1608754"	387.194218	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Na"	22.989218
"327539"	376.203247	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+H+Na"	23.996494
"711212"	558.305747	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+H+Na"	23.996494
"1471598"	194.100747	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H+Na"	23.996494
"1060471"	129.736256666667	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2H+Na"	25.00377
"1266524"	397.238486	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+CH3OH+H"	33.033486
"386192"	767.373158	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+K"	38.963158
"746091"	1131.578158	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+K"	38.963158
"1547049"	403.168158	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+K"	38.963158
"307511"	384.190217	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+H+K"	39.970434
"698109"	566.292717	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+H+K"	39.970434
"1455940"	202.087717	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H+K"	39.970434
"246728"	770.443826	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+ACN+H"	42.033826
"1219439"	406.238826	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+ACN+H"	42.033826
"1203322"	203.623051	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+ACN+2H"	43.041102
"199108"	773.38116	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+2Na-H"	44.97116
"638670"	1137.58616	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+2Na-H"	44.97116
"1142538"	409.17616	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2Na-H"	44.97116
"183643"	387.194218	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+2Na"	45.978436
"622109"	569.296718	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+2Na"	45.978436
"1117227"	205.091718	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2Na"	45.978436
"1402215"	137.063570666667	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H+2Na"	46.985712
"1433237"	411.217746	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H+HCOOH"	47.012746
"222933"	392.22724	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+3H2O+2H"	56.04448
"1509534"	425.26979	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+IsoProp+H"	61.06479
"409585"	395.181188	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+Na+K"	61.952376
"773502"	577.283688	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+Na+K"	61.952376
"1665780"	213.078688	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Na+K"	61.952376
"253074"	792.425768	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+ACN+Na"	64.015768
"1227245"	428.220768	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+ACN+Na"	64.015768
"1713579"	428.244293	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+NH4+HCOOH"	64.039293
"1179418"	144.390884666667	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+3Na"	68.967654
"1651139"	433.199688	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Na+HCOOH"	68.994688
"158609"	805.32904	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+2K-H"	76.91904
"600358"	1169.53404	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+2K-H"	76.91904
"1088149"	441.12404	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2K-H"	76.91904
"141596"	403.168158	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"2M+2K"	77.926316
"582702"	585.270658	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"3M+2K"	77.926316
"1068817"	221.065658	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2K"	77.926316
"1099921"	443.138592	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2K+H"	78.933592
"1337539"	443.226207	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+DMSO+H"	79.021207
"1005941"	447.265376	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2ACN+H"	83.060376
"1524365"	448.259008	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+IsoProp+Na+H"	84.054008
"990056"	224.136326	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+2ACN+2H"	84.067652
"1589517"	449.173628	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+K+HCOOH"	84.968628
"1417362"	479.205138	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+H+CF3COOH"	115.000138
"1155305"	244.649601	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+3ACN+2H"	125.094202
"1699389"	496.231685	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+NH4+CF3COOH"	132.026685
"1636132"	501.18708	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+Na+CF3COOH"	136.98208
"1575065"	517.16102	"C15172"	"6alpha-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione;6alpha-Fluoro-11beta17-dihydroxyprogesterone"	"C21H29FO4"	"364.205"	"M+K+CF3COOH"	152.95602
"808713"	424.2379	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M"	0
"986623"	405.21951	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-H2O-H"	-19.01839
"74863"	281.817990666667	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M-3H"	-3.021828
"515519"	423.230624	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M-3H"	-3.021828
"883479"	140.405357333333	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-3H"	-3.021828
"7520"	423.230624	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M-2H"	-2.014552
"448174"	635.349574	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M-2H"	-2.014552
"822696"	211.111674	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-2H"	-2.014552
"84875"	847.468524	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M-H"	-1.007276
"524436"	1271.706424	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M-H"	-1.007276
"900050"	423.230624	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-H"	-1.007276
"53334"	864.495071	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M-2H+NH4"	16.019271
"493988"	1288.732971	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M-2H+NH4"	16.019271
"868509"	440.257171	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-2H+NH4"	16.019271
"42971"	869.450466	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M-2H+Na"	20.974666
"482531"	1293.688366	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M-2H+Na"	20.974666
"854865"	445.212566	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-2H+Na"	20.974666
"1625492"	445.212566	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Na-2H"	20.974666
"105303"	441.218963	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M-H+Cl"	33.962126
"543770"	653.337913	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M-H+Cl"	33.962126
"935099"	229.100013	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-H+Cl"	33.962126
"278034"	883.445202	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+Cl"	34.969402
"671549"	1307.683102	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+Cl"	34.969402
"1285778"	459.207302	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Cl"	34.969402
"25414"	885.424406	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M-2H+K"	36.948606
"466069"	1309.662306	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M-2H+K"	36.948606
"840595"	461.186506	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-2H+K"	36.948606
"1564083"	461.186506	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+K-2H"	36.948606
"945038"	469.236094	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-H+HCOOH"	44.998194
"364710"	893.474001	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+HCOOH-H"	44.998201
"346889"	907.489651	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+Hac-H"	59.013851
"1495599"	483.251751	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Hac-H"	59.013851
"962776"	491.218051	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-H+NaCOOH"	66.980151
"114600"	459.207302	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+2Cl"	69.938804
"552702"	671.326252	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+2Cl"	69.938804
"1027700"	247.088352	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2Cl"	69.938804
"1243265"	503.156785	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Br"	78.918885
"1307903"	505.212772	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Cl+HCOOH"	80.974872
"1320085"	527.194729	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Cl+NaCOOH"	102.956829
"916095"	537.223486	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M-H+CF3COOH"	112.985586
"1300469"	573.200164	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Cl+CF3COOH"	148.962264
"1379724"	389.225224	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H-2H2O"	-35.012676
"1389573"	407.2352	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H-H2O"	-17.0027
"290353"	849.483076	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+H"	1.007276
"687152"	1273.720976	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+H"	1.007276
"1364233"	425.245176	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H"	1.007276
"140770"	425.245176	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+2H"	2.014552
"570486"	637.364126	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+2H"	2.014552
"1048035"	213.126226	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2H"	2.014552
"209374"	283.832542666667	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+3H"	3.021828
"658425"	425.245176	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+3H"	3.021828
"1178129"	142.419909333333	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+3H"	3.021828
"431433"	866.509623	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+NH4"	18.033823
"800080"	1290.747523	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+NH4"	18.033823
"1694224"	442.271723	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+NH4"	18.033823
"341411"	433.7584495	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+H+NH4"	19.041099
"726179"	645.8773995	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+H+NH4"	19.041099
"1482185"	221.6394995	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H+NH4"	19.041099
"396491"	871.465018	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+Na"	22.989218
"758214"	1295.702918	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+Na"	22.989218
"1605339"	447.227118	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Na"	22.989218
"321089"	436.236147	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+H+Na"	23.996494
"714602"	648.355097	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+H+Na"	23.996494
"1468428"	224.117197	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H+Na"	23.996494
"1059486"	149.747223333333	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2H+Na"	25.00377
"1265539"	457.271386	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+CH3OH+H"	33.033486
"386300"	887.438958	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+K"	38.963158
"748389"	1311.676858	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+K"	38.963158
"1551532"	463.201058	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+K"	38.963158
"307617"	444.223117	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+H+K"	39.970434
"700042"	656.342067	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+H+K"	39.970434
"1450584"	232.104167	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H+K"	39.970434
"245381"	890.509626	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+ACN+H"	42.033826
"1219186"	466.271726	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+ACN+H"	42.033826
"1204527"	233.639501	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+ACN+2H"	43.041102
"199584"	893.44696	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+2Na-H"	44.97116
"639145"	1317.68486	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+2Na-H"	44.97116
"1142285"	469.20906	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2Na-H"	44.97116
"182657"	447.227118	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+2Na"	45.978436
"621126"	659.346068	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+2Na"	45.978436
"1118067"	235.108168	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2Na"	45.978436
"1400255"	157.074537333333	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H+2Na"	46.985712
"1434439"	471.250646	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H+HCOOH"	47.012746
"223770"	452.26014	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+3H2O+2H"	56.04448
"1511466"	485.30269	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+IsoProp+H"	61.06479
"410061"	455.214088	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+Na+K"	61.952376
"772883"	667.333038	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+Na+K"	61.952376
"1667026"	243.095138	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Na+K"	61.952376
"252333"	912.491568	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+ACN+Na"	64.015768
"1228811"	488.253668	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+ACN+Na"	64.015768
"1714417"	488.277193	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+NH4+HCOOH"	64.039293
"1178918"	164.401851333333	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+3Na"	68.967654
"1650764"	493.232588	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Na+HCOOH"	68.994688
"157703"	925.39484	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+2K-H"	76.91904
"601561"	1349.63274	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+2K-H"	76.91904
"1086072"	501.15694	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2K-H"	76.91904
"141906"	463.201058	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"2M+2K"	77.926316
"581959"	675.320008	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"3M+2K"	77.926316
"1068724"	251.082108	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2K"	77.926316
"1100099"	503.171492	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2K+H"	78.933592
"1336431"	503.259107	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+DMSO+H"	79.021207
"1005967"	507.298276	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2ACN+H"	83.060376
"1525638"	508.291908	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+IsoProp+Na+H"	84.054008
"990043"	254.152776	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+2ACN+2H"	84.067652
"1595096"	509.206528	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+K+HCOOH"	84.968628
"1422940"	539.238038	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+H+CF3COOH"	115.000138
"1154322"	274.666051	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+3ACN+2H"	125.094202
"1700593"	556.264585	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+NH4+CF3COOH"	132.026685
"1637337"	561.21998	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+Na+CF3COOH"	136.98208
"1575175"	577.19392	"C15173"	"3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester"	"C23H37O5P"	"424.2379"	"M+K+CF3COOH"	152.95602
"808823"	328.1675	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M"	0
"982358"	309.14911	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-H2O-H"	-19.01839
"68412"	217.771057333333	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M-3H"	-3.021828
"512347"	327.160224	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M-3H"	-3.021828
"883588"	108.381890666667	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-3H"	-3.021828
"4349"	327.160224	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M-2H"	-2.014552
"447191"	491.243974	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M-2H"	-2.014552
"821712"	163.076474	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-2H"	-2.014552
"82798"	655.327724	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M-H"	-1.007276
"520536"	983.495224	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M-H"	-1.007276
"900160"	327.160224	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-H"	-1.007276
"54537"	672.354271	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M-2H+NH4"	16.019271
"494098"	1000.521771	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M-2H+NH4"	16.019271
"869712"	344.186771	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-2H+NH4"	16.019271
"45997"	677.309666	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M-2H+Na"	20.974666
"483734"	1005.477166	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M-2H+Na"	20.974666
"851695"	349.142166	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-2H+Na"	20.974666
"1625602"	349.142166	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Na-2H"	20.974666
"103224"	345.148563	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M-H+Cl"	33.962126
"541692"	509.232313	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M-H+Cl"	33.962126
"938491"	181.064813	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-H+Cl"	33.962126
"281181"	691.304402	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+Cl"	34.969402
"673845"	1019.471902	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+Cl"	34.969402
"1285158"	363.136902	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Cl"	34.969402
"25524"	693.283606	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M-2H+K"	36.948606
"468365"	1021.451106	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M-2H+K"	36.948606
"839611"	365.116106	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-2H+K"	36.948606
"1564193"	365.116106	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+K-2H"	36.948606
"943203"	373.165694	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-H+HCOOH"	44.998194
"365917"	701.333201	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+HCOOH-H"	44.998201
"348706"	715.348851	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+Hac-H"	59.013851
"1494009"	387.181351	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Hac-H"	59.013851
"960699"	395.147651	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-H+NaCOOH"	66.980151
"112888"	363.136902	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+2Cl"	69.938804
"551354"	527.220652	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+2Cl"	69.938804
"1021975"	199.053152	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2Cl"	69.938804
"1244106"	407.086385	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Br"	78.918885
"1307285"	409.142372	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Cl+HCOOH"	80.974872
"1320404"	431.124329	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Cl+NaCOOH"	102.956829
"911542"	441.153086	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M-H+CF3COOH"	112.985586
"1299486"	477.129764	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Cl+CF3COOH"	148.962264
"1376554"	293.154824	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H-2H2O"	-35.012676
"1392963"	311.1648	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H-H2O"	-17.0027
"290463"	657.342276	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+H"	1.007276
"690913"	985.509776	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+H"	1.007276
"1365070"	329.174776	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H"	1.007276
"140645"	329.174776	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+2H"	2.014552
"581335"	493.258526	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+2H"	2.014552
"1048144"	165.091026	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2H"	2.014552
"217140"	219.785609333333	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+3H"	3.021828
"656334"	329.174776	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+3H"	3.021828
"1178391"	110.396442666667	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+3H"	3.021828
"437010"	674.368823	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+NH4"	18.033823
"801353"	1002.536323	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+NH4"	18.033823
"1696765"	346.201323	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+NH4"	18.033823
"345494"	337.6880495	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+H+NH4"	19.041099
"731756"	501.7717995	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+H+NH4"	19.041099
"1491042"	173.6042995	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H+NH4"	19.041099
"398788"	679.324218	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+Na"	22.989218
"763063"	1007.491718	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+Na"	22.989218
"1608974"	351.156718	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Na"	22.989218
"324479"	340.165747	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+H+Na"	23.996494
"714713"	504.249497	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+H+Na"	23.996494
"1468540"	176.081997	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H+Na"	23.996494
"1063975"	117.723756666667	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2H+Na"	25.00377
"1268933"	361.200986	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+CH3OH+H"	33.033486
"386413"	695.298158	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+K"	38.963158
"749593"	1023.465658	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+K"	38.963158
"1551645"	367.130658	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+K"	38.963158
"311008"	348.152717	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+H+K"	39.970434
"702340"	512.236467	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+H+K"	39.970434
"1457983"	184.068967	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H+K"	39.970434
"248042"	698.368826	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+ACN+H"	42.033826
"1222574"	370.201326	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+ACN+H"	42.033826
"1206824"	185.604301	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+ACN+2H"	43.041102
"200785"	701.30616	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+2Na-H"	44.97116
"642170"	1029.47366	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+2Na-H"	44.97116
"1145674"	373.13866	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2Na-H"	44.97116
"187750"	351.156718	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+2Na"	45.978436
"625610"	515.240468	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+2Na"	45.978436
"1122555"	187.072968	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2Na"	45.978436
"1401339"	125.051070666667	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H+2Na"	46.985712
"1438196"	375.180246	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H+HCOOH"	47.012746
"224609"	356.18974	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+3H2O+2H"	56.04448
"1514131"	389.23229	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+IsoProp+H"	61.06479
"409441"	359.143688	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+Na+K"	61.952376
"776639"	523.227438	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+Na+K"	61.952376
"1671150"	195.059938	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Na+K"	61.952376
"255484"	720.350768	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+ACN+Na"	64.015768
"1232205"	392.183268	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+ACN+Na"	64.015768
"1717082"	392.206793	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+NH4+HCOOH"	64.039293
"1183531"	132.378384666667	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+3Na"	68.967654
"1652695"	397.162188	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Na+HCOOH"	68.994688
"158829"	733.25404	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+2K-H"	76.91904
"599848"	1061.42154	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+2K-H"	76.91904
"1086546"	405.08654	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2K-H"	76.91904
"146278"	367.130658	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"2M+2K"	77.926316
"585841"	531.214408	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"3M+2K"	77.926316
"1069377"	203.046908	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2K"	77.926316
"1103559"	407.101092	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2K+H"	78.933592
"1343226"	407.188707	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+DMSO+H"	79.021207
"1010662"	411.227876	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2ACN+H"	83.060376
"1532067"	412.221508	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+IsoProp+Na+H"	84.054008
"996330"	206.117576	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+2ACN+2H"	84.067652
"1598485"	413.136128	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+K+HCOOH"	84.968628
"1421957"	443.167638	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+H+CF3COOH"	115.000138
"1155525"	226.630851	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+3ACN+2H"	125.094202
"1700703"	460.194185	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+NH4+CF3COOH"	132.026685
"1637811"	465.14958	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+Na+CF3COOH"	136.98208
"1575285"	481.12352	"C15174"	"Estra-135-(10)-trien-17-one-3-oxyacetic acid;3-O-(Carboxymethyl)estrone"	"C20H24O4"	"328.1675"	"M+K+CF3COOH"	152.95602
"808933"	317.2355	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M"	0
"987936"	298.21711	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-H2O-H"	-19.01839
"71803"	210.483057333333	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M-3H"	-3.021828
"514644"	316.228224	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M-3H"	-3.021828
"884792"	104.737890666667	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-3H"	-3.021828
"2272"	316.228224	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M-2H"	-2.014552
"445114"	474.845974	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M-2H"	-2.014552
"821821"	157.610474	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-2H"	-2.014552
"84004"	633.463724	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M-H"	-1.007276
"522470"	950.699224	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M-H"	-1.007276
"902459"	316.228224	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-H"	-1.007276
"55740"	650.490271	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M-2H+NH4"	16.019271
"490928"	967.725771	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M-2H+NH4"	16.019271
"868729"	333.254771	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-2H+NH4"	16.019271
"42098"	655.445666	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M-2H+Na"	20.974666
"480564"	972.681166	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M-2H+Na"	20.974666
"849130"	338.210166	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-2H+Na"	20.974666
"1624619"	338.210166	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Na-2H"	20.974666
"100054"	334.216563	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M-H+Cl"	33.962126
"538522"	492.834313	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M-H+Cl"	33.962126
"938600"	175.598813	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-H+Cl"	33.962126
"281169"	669.440402	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+Cl"	34.969402
"672861"	986.675902	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+Cl"	34.969402
"1288063"	352.204902	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Cl"	34.969402
"25634"	671.419606	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M-2H+K"	36.948606
"469204"	988.655106	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M-2H+K"	36.948606
"841910"	354.184106	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-2H+K"	36.948606
"1562117"	354.184106	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+K-2H"	36.948606
"946721"	362.233694	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-H+HCOOH"	44.998194
"364935"	679.469201	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+HCOOH-H"	44.998201
"346097"	693.484851	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+Hac-H"	59.013851
"1493637"	376.249351	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Hac-H"	59.013851
"959352"	384.215651	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-H+NaCOOH"	66.980151
"113000"	352.204902	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+2Cl"	69.938804
"553654"	510.822652	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+2Cl"	69.938804
"1023909"	193.587152	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2Cl"	69.938804
"1248593"	396.154385	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Br"	78.918885
"1312134"	398.210372	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Cl+HCOOH"	80.974872
"1321974"	420.192329	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Cl+NaCOOH"	102.956829
"914127"	430.221086	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M-H+CF3COOH"	112.985586
"1297411"	466.197764	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Cl+CF3COOH"	148.962264
"1378852"	282.222824	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H-2H2O"	-35.012676
"1390887"	300.2328	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H-H2O"	-17.0027
"289480"	635.478276	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+H"	1.007276
"691027"	952.713776	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+H"	1.007276
"1366809"	318.242776	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H"	1.007276
"139536"	318.242776	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+2H"	2.014552
"578365"	476.860526	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+2H"	2.014552
"1049716"	159.625026	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2H"	2.014552
"217251"	212.497609333333	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+3H"	3.021828
"656811"	318.242776	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+3H"	3.021828
"1177620"	106.752442666667	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+3H"	3.021828
"436762"	652.504823	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+NH4"	18.033823
"799579"	969.740323	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+NH4"	18.033823
"1694451"	335.269323	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+NH4"	18.033823
"344551"	326.7560495	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+H+NH4"	19.041099
"736241"	485.3737995	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+H+NH4"	19.041099
"1491882"	168.1382995	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H+NH4"	19.041099
"404365"	657.460218	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+Na"	22.989218
"765360"	974.695718	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+Na"	22.989218
"1614551"	340.224718	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Na"	22.989218
"324589"	329.233747	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+H+Na"	23.996494
"715916"	487.851497	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+H+Na"	23.996494
"1474117"	170.615997	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H+Na"	23.996494
"1067365"	114.079756666667	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2H+Na"	25.00377
"1271231"	350.268986	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+CH3OH+H"	33.033486
"391873"	673.434158	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+K"	38.963158
"753595"	990.669658	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+K"	38.963158
"1552855"	356.198658	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+K"	38.963158
"313306"	337.220717	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+H+K"	39.970434
"701725"	495.838467	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+H+K"	39.970434
"1459187"	178.602967	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H+K"	39.970434
"248155"	676.504826	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+ACN+H"	42.033826
"1221955"	359.269326	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+ACN+H"	42.033826
"1208028"	180.138301	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+ACN+2H"	43.041102
"202233"	679.44216	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+2Na-H"	44.97116
"641549"	996.67766	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+2Na-H"	44.97116
"1146028"	362.20666	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2Na-H"	44.97116
"187739"	340.224718	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+2Na"	45.978436
"627299"	498.842468	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+2Na"	45.978436
"1122665"	181.606968	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2Na"	45.978436
"1399991"	121.407070666667	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H+2Na"	46.985712
"1435026"	364.248246	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H+HCOOH"	47.012746
"223991"	345.25774	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+3H2O+2H"	56.04448
"1512054"	378.30029	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+IsoProp+H"	61.06479
"415750"	348.211688	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+Na+K"	61.952376
"776748"	506.829438	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+Na+K"	61.952376
"1671260"	189.593938	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Na+K"	61.952376
"257418"	698.486768	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+ACN+Na"	64.015768
"1235596"	381.251268	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+ACN+Na"	64.015768
"1722296"	381.274793	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+NH4+HCOOH"	64.039293
"1188746"	128.734384666667	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+3Na"	68.967654
"1656452"	386.230188	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Na+HCOOH"	68.994688
"167689"	711.39004	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+2K-H"	76.91904
"602875"	1028.62554	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+2K-H"	76.91904
"1091760"	394.15454	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2K-H"	76.91904
"147482"	356.198658	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"2M+2K"	77.926316
"582791"	514.816408	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"3M+2K"	77.926316
"1077022"	197.580908	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2K"	77.926316
"1110230"	396.169092	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2K+H"	78.933592
"1345525"	396.256707	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+DMSO+H"	79.021207
"1014056"	400.295876	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2ACN+H"	83.060376
"1538373"	401.289508	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+IsoProp+Na+H"	84.054008
"1000814"	200.651576	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+2ACN+2H"	84.067652
"1599688"	402.204128	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+K+HCOOH"	84.968628
"1425349"	432.235638	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+H+CF3COOH"	115.000138
"1155636"	221.164851	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+3ACN+2H"	125.094202
"1700813"	449.262185	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+NH4+CF3COOH"	132.026685
"1637558"	454.21758	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+Na+CF3COOH"	136.98208
"1571870"	470.19152	"C15175"	"17beta-Hydroxy-417-dimethyl-4-azaandrost-5-en-3-one"	"C20H31NO2"	"317.2355"	"M+K+CF3COOH"	152.95602
"809043"	304.2402	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M"	0
"974416"	285.22181	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"66445"	201.819524	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"506005"	303.232924	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"882715"	100.406124	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"2383"	303.232924	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"443037"	455.353024	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"820108"	151.112824	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"83019"	607.473124	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"522580"	911.713324	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"902569"	303.232924	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"55850"	624.499671	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"491038"	928.739871	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"865559"	320.259471	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"41115"	629.455066	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"478487"	933.695266	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"850821"	325.214866	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1628010"	325.214866	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"99070"	321.221263	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"535716"	473.341363	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"937616"	169.101163	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"281525"	643.449802	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"673459"	947.690002	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1287565"	339.209602	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"25744"	645.429006	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"467492"	949.669206	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"836552"	341.188806	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1562226"	341.188806	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"946831"	349.238394	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"361528"	653.478601	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"346731"	667.494251	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1494472"	363.254051	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"959219"	371.220351	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"112012"	339.209602	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"551939"	491.329702	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1026571"	187.089502	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1248702"	383.159085	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1313337"	385.215072	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1322449"	407.197029	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"912050"	417.225786	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1288594"	453.202464	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1373495"	269.227524	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1392090"	287.2375	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"290683"	609.487676	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"690044"	913.727876	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1366028"	305.247476	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"140373"	305.247476	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"580056"	457.367576	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1050555"	153.127376	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"215900"	203.834076	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"656192"	305.247476	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1177851"	102.420676	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"439543"	626.514223	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"799931"	930.754423	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1694561"	322.274023	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"343568"	313.7607495	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"734893"	465.8808495	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1490171"	161.6406495	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"403383"	631.469618	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"765473"	935.709818	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1613205"	327.229418	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"327615"	316.238447	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"717120"	468.358547	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1474227"	164.118347	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1068206"	109.74799	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1272558"	337.273686	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"391739"	647.443558	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"753665"	951.683758	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1554424"	343.203358	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"311230"	324.225417	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"702563"	476.345517	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1455289"	172.105317	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"246808"	650.514226	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1219882"	346.274026	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1208501"	173.640651	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"199917"	653.45156	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"639476"	957.69176	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1142978"	349.21136	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"181894"	327.229418	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"623641"	479.349518	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1123866"	175.109318	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1404111"	117.075304	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1436591"	351.252946	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"226653"	332.26244	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1511071"	365.30499	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"413308"	335.216388	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"775036"	487.336488	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1672100"	183.096288	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"256071"	672.496168	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1234613"	368.255968	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1725686"	368.279493	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1191043"	124.402618	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1657656"	373.234888	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"166705"	685.39944	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"601891"	989.63964	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1088590"	381.15924	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"148686"	343.203358	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"587154"	495.323458	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1077132"	191.083258	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1109247"	383.173792	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1348916"	383.261407	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1014166"	387.300576	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1538483"	388.294208	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"999830"	194.153926	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1599798"	389.208828	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1425459"	419.240338	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1155746"	214.667201	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1700558"	436.266885	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1637668"	441.22228	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1571859"	457.19622	"C15176"	"17-Methyl-5alpha-androst-2-ene-1alpha17beta-diol"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"802592"	327.2198	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M"	0
"976125"	308.20141	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-H2O-H"	-19.01839
"63878"	217.139257333333	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M-3H"	-3.021828
"504410"	326.212524	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M-3H"	-3.021828
"882824"	108.065990666667	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-3H"	-3.021828
"668"	326.212524	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M-2H"	-2.014552
"443145"	489.822424	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M-2H"	-2.014552
"817661"	162.602624	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-2H"	-2.014552
"81304"	653.432324	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M-H"	-1.007276
"522690"	980.652124	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M-H"	-1.007276
"903772"	326.212524	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-H"	-1.007276
"53773"	670.458871	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M-2H+NH4"	16.019271
"488590"	997.678671	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M-2H+NH4"	16.019271
"866027"	343.239071	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-2H+NH4"	16.019271
"31853"	675.414266	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M-2H+Na"	20.974666
"472021"	1002.634066	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M-2H+Na"	20.974666
"849224"	348.194466	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-2H+Na"	20.974666
"1621553"	348.194466	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Na-2H"	20.974666
"94675"	344.200863	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M-H+Cl"	33.962126
"535082"	507.810763	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M-H+Cl"	33.962126
"930069"	180.590963	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-H+Cl"	33.962126
"281392"	689.409002	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+Cl"	34.969402
"667612"	1016.628802	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+Cl"	34.969402
"1283296"	362.189202	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Cl"	34.969402
"26947"	691.388206	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M-2H+K"	36.948606
"465414"	1018.608006	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M-2H+K"	36.948606
"834838"	364.168406	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-2H+K"	36.948606
"1560148"	364.168406	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+K-2H"	36.948606
"944753"	372.217994	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-H+HCOOH"	44.998194
"361668"	699.437801	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+HCOOH-H"	44.998201
"347207"	713.453451	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+Hac-H"	59.013851
"1494338"	386.233651	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Hac-H"	59.013851
"962124"	394.199951	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-H+NaCOOH"	66.980151
"117594"	362.189202	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+2Cl"	69.938804
"554236"	525.799102	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+2Cl"	69.938804
"1025953"	198.579302	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2Cl"	69.938804
"1248082"	406.138685	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Br"	78.918885
"1313447"	408.194672	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Cl+HCOOH"	80.974872
"1325110"	430.176629	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Cl+NaCOOH"	102.956829
"914347"	440.205386	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M-H+CF3COOH"	112.985586
"1291059"	476.182064	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Cl+CF3COOH"	148.962264
"1370314"	292.207124	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H-2H2O"	-35.012676
"1390012"	310.2171	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H-H2O"	-17.0027
"292980"	655.446876	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+H"	1.007276
"687587"	982.666676	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+H"	1.007276
"1365403"	328.227076	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H"	1.007276
"140112"	328.227076	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+2H"	2.014552
"579670"	491.836976	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+2H"	2.014552
"1048472"	164.617176	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2H"	2.014552
"214187"	219.153809333333	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+3H"	3.021828
"652653"	328.227076	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+3H"	3.021828
"1175646"	110.080542666667	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+3H"	3.021828
"437219"	672.473423	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+NH4"	18.033823
"799430"	999.693223	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+NH4"	18.033823
"1692842"	345.253623	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+NH4"	18.033823
"342213"	336.7403495	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+H+NH4"	19.041099
"734640"	500.3502495	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+H+NH4"	19.041099
"1485905"	173.1304495	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H+NH4"	19.041099
"399115"	677.428818	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+Na"	22.989218
"767281"	1004.648618	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+Na"	22.989218
"1613677"	350.209018	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Na"	22.989218
"325903"	339.218047	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+H+Na"	23.996494
"718323"	502.827947	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+H+Na"	23.996494
"1473609"	175.608147	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H+Na"	23.996494
"1066251"	117.407856666667	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2H+Na"	25.00377
"1267081"	360.253286	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+CH3OH+H"	33.033486
"386385"	693.402758	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+K"	38.963158
"751387"	1020.622558	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+K"	38.963158
"1551978"	366.182958	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+K"	38.963158
"311339"	347.205017	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+H+K"	39.970434
"698302"	510.814917	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+H+K"	39.970434
"1454309"	183.595117	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H+K"	39.970434
"245096"	696.473426	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+ACN+H"	42.033826
"1219992"	369.253626	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+ACN+H"	42.033826
"1204965"	185.130451	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+ACN+2H"	43.041102
"200023"	699.41076	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+2Na-H"	44.97116
"639583"	1026.63056	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+2Na-H"	44.97116
"1136527"	372.19096	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2Na-H"	44.97116
"178724"	350.209018	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+2Na"	45.978436
"617553"	513.818918	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+2Na"	45.978436
"1119234"	186.599118	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2Na"	45.978436
"1402031"	124.735170666667	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H+2Na"	46.985712
"1435607"	374.232546	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H+HCOOH"	47.012746
"226397"	355.24204	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+3H2O+2H"	56.04448
"1513005"	388.28459	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+IsoProp+H"	61.06479
"411593"	358.195988	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+Na+K"	61.952376
"774782"	521.805888	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+Na+K"	61.952376
"1674397"	194.586088	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Na+K"	61.952376
"256546"	718.455368	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+ACN+Na"	64.015768
"1233630"	391.235568	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+ACN+Na"	64.015768
"1725554"	391.259093	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+NH4+HCOOH"	64.039293
"1190060"	132.062484666667	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+3Na"	68.967654
"1662141"	396.214488	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Na+HCOOH"	68.994688
"165722"	731.35864	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+2K-H"	76.91904
"602002"	1058.57844	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+2K-H"	76.91904
"1089794"	404.13884	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2K-H"	76.91904
"153170"	366.182958	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"2M+2K"	77.926316
"586171"	529.792858	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"3M+2K"	77.926316
"1073962"	202.573058	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2K"	77.926316
"1110450"	406.153392	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2K+H"	78.933592
"1347933"	406.241007	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+DMSO+H"	79.021207
"1018648"	410.280176	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2ACN+H"	83.060376
"1535677"	411.273808	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+IsoProp+Na+H"	84.054008
"999939"	205.643726	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+2ACN+2H"	84.067652
"1593348"	412.188428	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+K+HCOOH"	84.968628
"1423381"	442.219938	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+H+CF3COOH"	115.000138
"1155856"	226.157001	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+3ACN+2H"	125.094202
"1701033"	459.246485	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+NH4+CF3COOH"	132.026685
"1637778"	464.20188	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+Na+CF3COOH"	136.98208
"1572697"	480.17582	"C15177"	"17-Methylandrosta-24-dieno23-disoxazol-17beta-ol"	"C21H29NO2"	"327.2198"	"M+K+CF3COOH"	152.95602
"809263"	199.0593	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M"	0
"976233"	180.04091	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-H2O-H"	-19.01839
"63503"	131.698924	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M-3H"	-3.021828
"502993"	198.052024	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M-3H"	-3.021828
"881112"	65.345824	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-3H"	-3.021828
"648"	198.052024	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M-2H"	-2.014552
"440581"	297.581674	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M-2H"	-2.014552
"817644"	98.522374	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-2H"	-2.014552
"79214"	397.111324	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M-H"	-1.007276
"518894"	596.170624	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M-H"	-1.007276
"896214"	198.052024	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-H"	-1.007276
"50603"	414.137871	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M-2H+NH4"	16.019271
"487556"	613.197171	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M-2H+NH4"	16.019271
"865407"	215.078571	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-2H+NH4"	16.019271
"31848"	419.093266	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M-2H+Na"	20.974666
"472374"	618.152566	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M-2H+Na"	20.974666
"848587"	220.033966	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-2H+Na"	20.974666
"1619228"	220.033966	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Na-2H"	20.974666
"94664"	216.040363	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M-H+Cl"	33.962126
"535313"	315.570013	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M-H+Cl"	33.962126
"927499"	116.510713	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-H+Cl"	33.962126
"282107"	433.088002	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+Cl"	34.969402
"666629"	632.147302	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+Cl"	34.969402
"1283406"	234.028702	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Cl"	34.969402
"30337"	435.067206	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M-2H+K"	36.948606
"464430"	634.126506	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M-2H+K"	36.948606
"834584"	236.007906	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-2H+K"	36.948606
"1560258"	236.007906	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+K-2H"	36.948606
"947050"	244.057494	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-H+HCOOH"	44.998194
"361983"	443.116801	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+HCOOH-H"	44.998201
"347684"	457.132451	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+Hac-H"	59.013851
"1494085"	258.073151	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Hac-H"	59.013851
"960414"	266.039451	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-H+NaCOOH"	66.980151
"119527"	234.028702	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+2Cl"	69.938804
"555077"	333.558352	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+2Cl"	69.938804
"1024971"	134.499052	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2Cl"	69.938804
"1248922"	277.978185	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Br"	78.918885
"1312464"	280.034172	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Cl+HCOOH"	80.974872
"1325219"	302.016129	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Cl+NaCOOH"	102.956829
"912633"	312.044886	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M-H+CF3COOH"	112.985586
"1291533"	348.021564	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Cl+CF3COOH"	148.962264
"1368965"	164.046624	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H-2H2O"	-35.012676
"1392310"	182.0566	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H-H2O"	-17.0027
"291995"	399.125876	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+H"	1.007276
"686604"	598.185176	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+H"	1.007276
"1359674"	200.066576	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H"	1.007276
"140830"	200.066576	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+2H"	2.014552
"576500"	299.596226	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+2H"	2.014552
"1048583"	100.536926	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2H"	2.014552
"218190"	133.713476	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+3H"	3.021828
"657138"	200.066576	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+3H"	3.021828
"1175269"	67.360376	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+3H"	3.021828
"437450"	416.152423	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+NH4"	18.033823
"795162"	615.211723	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+NH4"	18.033823
"1690399"	217.093123	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+NH4"	18.033823
"342687"	208.5798495	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+H+NH4"	19.041099
"730005"	308.1094995	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+H+NH4"	19.041099
"1486015"	109.0501995	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H+NH4"	19.041099
"398131"	421.107818	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+Na"	22.989218
"765688"	620.167118	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+Na"	22.989218
"1611600"	222.048518	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Na"	22.989218
"323825"	211.057547	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+H+Na"	23.996494
"716246"	310.587197	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+H+Na"	23.996494
"1473355"	111.527897	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H+Na"	23.996494
"1065147"	74.68769	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2H+Na"	25.00377
"1267920"	232.092786	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+CH3OH+H"	33.033486
"388682"	437.081758	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+K"	38.963158
"751133"	636.141058	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+K"	38.963158
"1553910"	238.022458	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+K"	38.963158
"312179"	219.044517	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+H+K"	39.970434
"698412"	318.574167	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+H+K"	39.970434
"1454416"	119.514867	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H+K"	39.970434
"245206"	440.152426	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+ACN+H"	42.033826
"1220102"	241.093126	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+ACN+H"	42.033826
"1205075"	121.050201	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+ACN+2H"	43.041102
"200132"	443.08976	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+2Na-H"	44.97116
"638600"	642.14906	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+2Na-H"	44.97116
"1136637"	244.03046	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2Na-H"	44.97116
"178834"	222.048518	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+2Na"	45.978436
"619486"	321.578168	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+2Na"	45.978436
"1120076"	122.518868	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2Na"	45.978436
"1404694"	82.015004	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H+2Na"	46.985712
"1435717"	246.072046	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H+HCOOH"	47.012746
"225414"	227.08154	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+3H2O+2H"	56.04448
"1513115"	260.12409	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+IsoProp+H"	61.06479
"410975"	230.035488	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+Na+K"	61.952376
"774892"	329.565138	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+Na+K"	61.952376
"1671226"	130.505838	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Na+K"	61.952376
"256656"	462.134368	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+ACN+Na"	64.015768
"1234833"	263.075068	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+ACN+Na"	64.015768
"1722626"	263.098593	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+NH4+HCOOH"	64.039293
"1192963"	89.342318	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+3Na"	68.967654
"1663344"	268.053988	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Na+HCOOH"	68.994688
"163644"	475.03764	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+2K-H"	76.91904
"602112"	674.09694	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+2K-H"	76.91904
"1092091"	275.97834	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2K-H"	76.91904
"153280"	238.022458	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"2M+2K"	77.926316
"589561"	337.552108	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"3M+2K"	77.926316
"1076259"	138.492808	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2K"	77.926316
"1109467"	277.992892	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2K+H"	78.933592
"1349136"	278.080507	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+DMSO+H"	79.021207
"1017665"	282.119676	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2ACN+H"	83.060376
"1535787"	283.113308	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+IsoProp+Na+H"	84.054008
"998956"	141.563476	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+2ACN+2H"	84.067652
"1593458"	284.027928	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+K+HCOOH"	84.968628
"1426771"	314.059438	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+H+CF3COOH"	115.000138
"1159246"	162.076751	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+3ACN+2H"	125.094202
"1704423"	331.085985	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+NH4+CF3COOH"	132.026685
"1637888"	336.04138	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+Na+CF3COOH"	136.98208
"1572442"	352.01532	"C15178"	"5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone"	"C7H9N3O4"	"199.0593"	"M+K+CF3COOH"	152.95602
"809373"	300.1514	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M"	0
"979628"	281.13301	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-H2O-H"	-19.01839
"64586"	199.093657333333	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M-3H"	-3.021828
"503492"	299.144124	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M-3H"	-3.021828
"881951"	99.0431906666667	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-3H"	-3.021828
"1731"	299.144124	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M-2H"	-2.014552
"442264"	449.219824	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M-2H"	-2.014552
"817636"	149.068424	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-2H"	-2.014552
"79691"	599.295524	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M-H"	-1.007276
"518728"	899.446924	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M-H"	-1.007276
"895919"	299.144124	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-H"	-1.007276
"47910"	616.322071	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M-2H+NH4"	16.019271
"488446"	916.473471	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M-2H+NH4"	16.019271
"866252"	316.170671	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-2H+NH4"	16.019271
"32204"	621.277466	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M-2H+Na"	20.974666
"471799"	921.428866	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M-2H+Na"	20.974666
"849682"	321.126066	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-2H+Na"	20.974666
"1618973"	321.126066	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Na-2H"	20.974666
"94894"	317.132463	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M-H+Cl"	33.962126
"534736"	467.208163	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M-H+Cl"	33.962126
"927975"	167.056763	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-H+Cl"	33.962126
"282797"	635.272202	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+Cl"	34.969402
"672935"	935.423602	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+Cl"	34.969402
"1288445"	335.120802	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Cl"	34.969402
"31382"	637.251406	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M-2H+K"	36.948606
"470823"	937.402806	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M-2H+K"	36.948606
"833965"	337.100006	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-2H+K"	36.948606
"1560368"	337.100006	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+K-2H"	36.948606
"947160"	345.149594	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-H+HCOOH"	44.998194
"362459"	645.301001	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+HCOOH-H"	44.998201
"348163"	659.316651	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+Hac-H"	59.013851
"1502461"	359.165251	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Hac-H"	59.013851
"965628"	367.131551	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-H+NaCOOH"	66.980151
"118908"	335.120802	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+2Cl"	69.938804
"558468"	485.196502	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+2Cl"	69.938804
"1033100"	185.045102	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2Cl"	69.938804
"1252312"	379.070285	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Br"	78.918885
"1314761"	381.126272	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Cl+HCOOH"	80.974872
"1322778"	403.108229	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Cl+NaCOOH"	102.956829
"918941"	413.136986	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M-H+CF3COOH"	112.985586
"1291644"	449.113664	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Cl+CF3COOH"	148.962264
"1370899"	265.138724	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H-2H2O"	-35.012676
"1385480"	283.1487	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H-H2O"	-17.0027
"292105"	601.310076	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+H"	1.007276
"687807"	901.461476	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+H"	1.007276
"1365616"	301.158676	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H"	1.007276
"139232"	301.158676	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+2H"	2.014552
"579526"	451.234376	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+2H"	2.014552
"1050882"	151.082976	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2H"	2.014552
"217328"	201.108209333333	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+3H"	3.021828
"656520"	301.158676	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+3H"	3.021828
"1173187"	101.057742666667	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+3H"	3.021828
"436465"	618.336623	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+NH4"	18.033823
"797825"	918.488023	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+NH4"	18.033823
"1693789"	318.185223	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+NH4"	18.033823
"342434"	309.6719495	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+H+NH4"	19.041099
"733395"	459.7476495	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+H+NH4"	19.041099
"1488312"	159.5962495	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H+NH4"	19.041099
"406262"	623.292018	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+Na"	22.989218
"765798"	923.443418	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+Na"	22.989218
"1612803"	323.140618	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Na"	22.989218
"323934"	312.149647	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+H+Na"	23.996494
"718541"	462.225347	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+H+Na"	23.996494
"1473829"	162.073947	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H+Na"	23.996494
"1065616"	108.385056666667	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2H+Na"	25.00377
"1272035"	333.184886	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+CH3OH+H"	33.033486
"391343"	639.265958	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+K"	38.963158
"753672"	939.417358	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+K"	38.963158
"1555238"	339.114558	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+K"	38.963158
"311925"	320.136617	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+H+K"	39.970434
"703623"	470.212317	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+H+K"	39.970434
"1456711"	170.060917	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H+K"	39.970434
"249688"	642.336626	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+ACN+H"	42.033826
"1224341"	342.185226	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+ACN+H"	42.033826
"1205184"	171.596251	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+ACN+2H"	43.041102
"203280"	645.27396	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+2Na-H"	44.97116
"640896"	945.42536	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+2Na-H"	44.97116
"1136747"	345.12256	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2Na-H"	44.97116
"182224"	323.140618	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+2Na"	45.978436
"618866"	473.216318	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+2Na"	45.978436
"1118361"	173.064918	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2Na"	45.978436
"1407720"	115.712370666667	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H+2Na"	46.985712
"1435462"	347.164146	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H+HCOOH"	47.012746
"230627"	328.17364	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+3H2O+2H"	56.04448
"1513225"	361.21619	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+IsoProp+H"	61.06479
"412180"	331.127588	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+Na+K"	61.952376
"778282"	481.203288	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+Na+K"	61.952376
"1674616"	181.051888	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Na+K"	61.952376
"256767"	664.318568	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+ACN+Na"	64.015768
"1238223"	364.167168	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+ACN+Na"	64.015768
"1722736"	364.190693	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+NH4+HCOOH"	64.039293
"1194076"	123.039684666667	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+3Na"	68.967654
"1663455"	369.146088	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Na+HCOOH"	68.994688
"169221"	677.22184	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+2K-H"	76.91904
"606596"	977.37324	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+2K-H"	76.91904
"1097667"	377.07044	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2K-H"	76.91904
"156307"	339.114558	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"2M+2K"	77.926316
"595139"	489.190258	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"3M+2K"	77.926316
"1080743"	189.038858	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2K"	77.926316
"1111764"	379.084992	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2K+H"	78.933592
"1350585"	379.172607	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+DMSO+H"	79.021207
"1020572"	383.211776	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2ACN+H"	83.060376
"1535898"	384.205408	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+IsoProp+Na+H"	84.054008
"1005023"	192.109526	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+2ACN+2H"	84.067652
"1601223"	385.120028	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+K+HCOOH"	84.968628
"1425790"	415.151538	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+H+CF3COOH"	115.000138
"1159357"	212.622801	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+3ACN+2H"	125.094202
"1706720"	432.178085	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+NH4+CF3COOH"	132.026685
"1642371"	437.13348	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+Na+CF3COOH"	136.98208
"1571826"	453.10742	"C15179"	"11-Diphenyl-2-(4-methoxyphenyl)propene"	"C22H20O"	"300.1514"	"M+K+CF3COOH"	152.95602
"809483"	418.2178	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M"	0
"975726"	399.19941	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-H2O-H"	-19.01839
"63602"	277.804590666667	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M-3H"	-3.021828
"503239"	417.210524	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M-3H"	-3.021828
"882060"	138.398657333333	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-3H"	-3.021828
"264"	417.210524	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M-2H"	-2.014552
"440923"	626.319424	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M-2H"	-2.014552
"817190"	208.101624	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-2H"	-2.014552
"78748"	835.428324	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M-H"	-1.007276
"520465"	1253.646124	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M-H"	-1.007276
"895830"	417.210524	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-H"	-1.007276
"50823"	852.454871	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M-2H+NH4"	16.019271
"488923"	1270.672671	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M-2H+NH4"	16.019271
"864645"	434.237071	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-2H+NH4"	16.019271
"33170"	857.410266	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M-2H+Na"	20.974666
"473459"	1275.628066	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M-2H+Na"	20.974666
"848673"	439.192466	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-2H+Na"	20.974666
"1618541"	439.192466	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Na-2H"	20.974666
"95623"	435.198863	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M-H+Cl"	33.962126
"534476"	644.307763	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M-H+Cl"	33.962126
"932588"	226.089963	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-H+Cl"	33.962126
"279896"	871.405002	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+Cl"	34.969402
"670129"	1289.622802	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+Cl"	34.969402
"1277065"	453.187202	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Cl"	34.969402
"27276"	873.384206	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M-2H+K"	36.948606
"467932"	1291.602006	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M-2H+K"	36.948606
"836991"	455.166406	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-2H+K"	36.948606
"1560478"	455.166406	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+K-2H"	36.948606
"949457"	463.215994	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-H+HCOOH"	44.998194
"368765"	881.433801	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+HCOOH-H"	44.998201
"350460"	895.449451	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+Hac-H"	59.013851
"1502572"	477.231651	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Hac-H"	59.013851
"965739"	485.197951	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-H+NaCOOH"	66.980151
"121206"	453.187202	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+2Cl"	69.938804
"553476"	662.296102	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+2Cl"	69.938804
"1023001"	244.078302	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2Cl"	69.938804
"1248049"	497.136685	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Br"	78.918885
"1307580"	499.192672	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Cl+HCOOH"	80.974872
"1322524"	521.174629	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Cl+NaCOOH"	102.956829
"916135"	531.203386	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M-H+CF3COOH"	112.985586
"1291016"	567.180064	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Cl+CF3COOH"	148.962264
"1367960"	383.205124	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H-2H2O"	-35.012676
"1382794"	401.2151	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H-H2O"	-17.0027
"287834"	837.442876	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+H"	1.007276
"687917"	1255.660676	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+H"	1.007276
"1363172"	419.225076	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H"	1.007276
"138247"	419.225076	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+2H"	2.014552
"573439"	628.333976	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+2H"	2.014552
"1045520"	210.116176	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2H"	2.014552
"212325"	279.819142666667	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+3H"	3.021828
"658817"	419.225076	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+3H"	3.021828
"1173297"	140.413209333333	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+3H"	3.021828
"436942"	854.469423	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+NH4"	18.033823
"797569"	1272.687223	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+NH4"	18.033823
"1695722"	436.251623	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+NH4"	18.033823
"342177"	427.7383495	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+H+NH4"	19.041099
"732412"	636.8472495	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+H+NH4"	19.041099
"1487326"	218.6294495	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H+NH4"	19.041099
"404913"	859.424818	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+Na"	22.989218
"765908"	1277.642618	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+Na"	22.989218
"1612913"	441.207018	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Na"	22.989218
"322951"	430.216047	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+H+Na"	23.996494
"715371"	639.324947	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+H+Na"	23.996494
"1475396"	221.107147	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H+Na"	23.996494
"1067794"	147.740523333333	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2H+Na"	25.00377
"1271414"	451.251286	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+CH3OH+H"	33.033486
"391447"	875.398758	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+K"	38.963158
"753986"	1293.616558	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+K"	38.963158
"1554129"	457.180958	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+K"	38.963158
"309481"	438.203017	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+H+K"	39.970434
"704093"	647.311917	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+H+K"	39.970434
"1456821"	229.094117	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H+K"	39.970434
"251217"	878.469426	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+ACN+H"	42.033826
"1224693"	460.251626	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+ACN+H"	42.033826
"1204200"	230.629451	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+ACN+2H"	43.041102
"200352"	881.40676	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+2Na-H"	44.97116
"639912"	1299.62456	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+2Na-H"	44.97116
"1136490"	463.18896	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2Na-H"	44.97116
"182334"	441.207018	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+2Na"	45.978436
"619340"	650.315918	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+2Na"	45.978436
"1122847"	232.098118	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2Na"	45.978436
"1406737"	155.067837333333	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H+2Na"	46.985712
"1436667"	465.230546	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H+HCOOH"	47.012746
"232924"	446.24004	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+3H2O+2H"	56.04448
"1514429"	479.28259	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+IsoProp+H"	61.06479
"412654"	449.193988	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+Na+K"	61.952376
"778392"	658.302888	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+Na+K"	61.952376
"1676913"	240.085088	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Na+K"	61.952376
"263437"	900.451368	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+ACN+Na"	64.015768
"1235053"	482.233568	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+ACN+Na"	64.015768
"1726126"	482.257093	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+NH4+HCOOH"	64.039293
"1193879"	162.395151333333	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+3Na"	68.967654
"1663565"	487.212488	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Na+HCOOH"	68.994688
"171518"	913.35464	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+2K-H"	76.91904
"608892"	1331.57244	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+2K-H"	76.91904
"1098508"	495.13684	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2K-H"	76.91904
"156175"	457.180958	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"2M+2K"	77.926316
"596224"	666.289858	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"3M+2K"	77.926316
"1081948"	248.072058	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2K"	77.926316
"1108594"	497.151392	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2K+H"	78.933592
"1349356"	497.239007	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+DMSO+H"	79.021207
"1020197"	501.278176	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2ACN+H"	83.060376
"1538925"	502.271808	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+IsoProp+Na+H"	84.054008
"1004402"	251.142726	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+2ACN+2H"	84.067652
"1601335"	503.186428	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+K+HCOOH"	84.968628
"1426995"	533.217938	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+H+CF3COOH"	115.000138
"1160562"	271.656001	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+3ACN+2H"	125.094202
"1705737"	550.244485	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+NH4+CF3COOH"	132.026685
"1644669"	555.19988	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+Na+CF3COOH"	136.98208
"1574852"	571.17382	"C15180"	"17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate"	"C24H34O4S"	"418.2178"	"M+K+CF3COOH"	152.95602
"809593"	428.1471	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M"	0
"976567"	409.12871	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-H2O-H"	-19.01839
"63348"	284.424124	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M-3H"	-3.021828
"502897"	427.139824	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M-3H"	-3.021828
"881199"	141.708424	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-3H"	-3.021828
"56"	427.139824	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M-2H"	-2.014552
"439984"	641.213374	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M-2H"	-2.014552
"817611"	213.066274	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-2H"	-2.014552
"78661"	855.286924	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M-H"	-1.007276
"518614"	1283.434024	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M-H"	-1.007276
"896557"	427.139824	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-H"	-1.007276
"47244"	872.313471	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M-2H+NH4"	16.019271
"487288"	1300.460571	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M-2H+NH4"	16.019271
"864344"	444.166371	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-2H+NH4"	16.019271
"31859"	877.268866	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M-2H+Na"	20.974666
"473569"	1305.415966	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M-2H+Na"	20.974666
"848580"	449.121766	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-2H+Na"	20.974666
"1618475"	449.121766	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Na-2H"	20.974666
"96705"	445.128163	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M-H+Cl"	33.962126
"534923"	659.201713	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M-H+Cl"	33.962126
"931605"	231.054613	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-H+Cl"	33.962126
"278913"	891.263602	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+Cl"	34.969402
"666959"	1319.410702	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+Cl"	34.969402
"1277175"	463.116502	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Cl"	34.969402
"23013"	893.242806	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M-2H+K"	36.948606
"468042"	1321.389906	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M-2H+K"	36.948606
"838195"	465.095706	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-2H+K"	36.948606
"1559495"	465.095706	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+K-2H"	36.948606
"950660"	473.145294	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-H+HCOOH"	44.998194
"367782"	901.292401	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+HCOOH-H"	44.998201
"347290"	915.308051	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+Hac-H"	59.013851
"1502682"	487.160951	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Hac-H"	59.013851
"965849"	495.127251	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-H+NaCOOH"	66.980151
"120222"	463.116502	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+2Cl"	69.938804
"552126"	677.190052	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+2Cl"	69.938804
"1023476"	249.042952	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2Cl"	69.938804
"1247793"	507.065985	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Br"	78.918885
"1309514"	509.121972	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Cl+HCOOH"	80.974872
"1322998"	531.103929	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Cl+NaCOOH"	102.956829
"916609"	541.132686	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M-H+CF3COOH"	112.985586
"1291127"	577.109364	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Cl+CF3COOH"	148.962264
"1367949"	393.134424	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H-2H2O"	-35.012676
"1384109"	411.1444	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H-H2O"	-17.0027
"290131"	857.301476	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+H"	1.007276
"688027"	1285.448576	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+H"	1.007276
"1364378"	429.154376	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H"	1.007276
"135077"	429.154376	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+2H"	2.014552
"572455"	643.227926	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+2H"	2.014552
"1045629"	215.080826	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2H"	2.014552
"211342"	286.438676	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+3H"	3.021828
"653090"	429.154376	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+3H"	3.021828
"1174497"	143.722976	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+3H"	3.021828
"438507"	874.328023	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+NH4"	18.033823
"793301"	1302.475123	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+NH4"	18.033823
"1689634"	446.180923	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+NH4"	18.033823
"342287"	437.6676495	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+H+NH4"	19.041099
"732522"	651.7411995	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+H+NH4"	19.041099
"1486343"	223.5940995	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H+NH4"	19.041099
"403566"	879.283418	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+Na"	22.989218
"763831"	1307.430518	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+Na"	22.989218
"1611930"	451.136318	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Na"	22.989218
"323061"	440.145347	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+H+Na"	23.996494
"715481"	654.218897	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+H+Na"	23.996494
"1475506"	226.071797	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H+Na"	23.996494
"1063647"	151.05029	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2H+Na"	25.00377
"1271524"	461.180586	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+CH3OH+H"	33.033486
"389005"	895.257358	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+K"	38.963158
"752189"	1323.404458	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+K"	38.963158
"1553874"	467.110258	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+K"	38.963158
"309591"	448.132317	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+H+K"	39.970434
"704202"	662.205867	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+H+K"	39.970434
"1456931"	234.058767	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H+K"	39.970434
"250396"	898.328026	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+ACN+H"	42.033826
"1224801"	470.180926	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+ACN+H"	42.033826
"1204310"	235.594101	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+ACN+2H"	43.041102
"200462"	901.26536	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+2Na-H"	44.97116
"640022"	1329.41246	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+2Na-H"	44.97116
"1136236"	473.11826	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2Na-H"	44.97116
"182444"	451.136318	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+2Na"	45.978436
"619450"	665.209868	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+2Na"	45.978436
"1122593"	237.062768	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2Na"	45.978436
"1407941"	158.377604	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H+2Na"	46.985712
"1436777"	475.159846	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H+HCOOH"	47.012746
"226474"	456.16934	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+3H2O+2H"	56.04448
"1514539"	489.21189	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+IsoProp+H"	61.06479
"413131"	459.123288	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+Na+K"	61.952376
"778503"	673.196838	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+Na+K"	61.952376
"1675930"	245.049738	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Na+K"	61.952376
"265007"	920.309968	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+ACN+Na"	64.015768
"1240510"	492.162868	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+ACN+Na"	64.015768
"1726236"	492.186393	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+NH4+HCOOH"	64.039293
"1194029"	165.704918	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+3Na"	68.967654
"1665257"	497.141788	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Na+HCOOH"	68.994688
"172484"	933.21324	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+2K-H"	76.91904
"610097"	1361.36034	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+2K-H"	76.91904
"1099635"	505.06614	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2K-H"	76.91904
"156406"	467.110258	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"2M+2K"	77.926316
"596779"	681.183808	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"3M+2K"	77.926316
"1083028"	253.036708	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2K"	77.926316
"1108704"	507.080692	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2K+H"	78.933592
"1350316"	507.168307	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+DMSO+H"	79.021207
"1021159"	511.207476	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2ACN+H"	83.060376
"1538671"	512.201108	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+IsoProp+Na+H"	84.054008
"1005525"	256.107376	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+2ACN+2H"	84.067652
"1601445"	513.115728	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+K+HCOOH"	84.968628
"1424918"	543.147238	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+H+CF3COOH"	115.000138
"1160672"	276.620651	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+3ACN+2H"	125.094202
"1705847"	560.173785	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+NH4+CF3COOH"	132.026685
"1641498"	565.12918	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+Na+CF3COOH"	136.98208
"1573869"	581.10312	"C15181"	"Wortmannin"	"C23H24O8"	"428.1471"	"M+K+CF3COOH"	152.95602
"809703"	1029.6025	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M"	0
"976678"	1010.58411	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-H2O-H"	-19.01839
"64188"	685.394390666667	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M-3H"	-3.021828
"503746"	1028.595224	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M-3H"	-3.021828
"881552"	342.193557333333	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-3H"	-3.021828
"241"	1028.595224	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M-2H"	-2.014552
"440325"	1543.396474	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M-2H"	-2.014552
"817722"	513.793974	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-2H"	-2.014552
"79413"	2058.197724	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M-H"	-1.007276
"519337"	3087.800224	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M-H"	-1.007276
"898124"	1028.595224	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-H"	-1.007276
"48733"	2075.224271	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M-2H+NH4"	16.019271
"487312"	3104.826771	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M-2H+NH4"	16.019271
"864743"	1045.621771	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-2H+NH4"	16.019271
"31764"	2080.179666	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M-2H+Na"	20.974666
"472949"	3109.782166	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M-2H+Na"	20.974666
"848921"	1050.577166	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-2H+Na"	20.974666
"1620284"	1050.577166	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Na-2H"	20.974666
"94470"	1046.583563	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M-H+Cl"	33.962126
"534435"	1561.384813	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M-H+Cl"	33.962126
"927700"	531.782313	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-H+Cl"	33.962126
"279995"	2094.174402	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+Cl"	34.969402
"665609"	3123.776902	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+Cl"	34.969402
"1278013"	1064.571902	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Cl"	34.969402
"20571"	2096.153606	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M-2H+K"	36.948606
"462684"	3125.756106	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M-2H+K"	36.948606
"839398"	1066.551106	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-2H+K"	36.948606
"1562885"	1066.551106	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+K-2H"	36.948606
"956239"	1074.600694	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-H+HCOOH"	44.998194
"370079"	2104.203201	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+HCOOH-H"	44.998201
"349588"	2118.218851	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+Hac-H"	59.013851
"1499512"	1088.616351	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Hac-H"	59.013851
"963773"	1096.582651	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-H+NaCOOH"	66.980151
"120334"	1064.571902	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+2Cl"	69.938804
"553333"	1579.373152	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+2Cl"	69.938804
"1022857"	549.770652	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2Cl"	69.938804
"1246811"	1108.521385	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Br"	78.918885
"1308895"	1110.577372	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Cl+HCOOH"	80.974872
"1325297"	1132.559329	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Cl+NaCOOH"	102.956829
"915990"	1142.588086	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M-H+CF3COOH"	112.985586
"1290510"	1178.564764	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Cl+CF3COOH"	148.962264
"1369399"	994.589824	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H-2H2O"	-35.012676
"1385439"	1012.5998	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H-H2O"	-17.0027
"284776"	2060.212276	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+H"	1.007276
"681576"	3089.814776	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+H"	1.007276
"1359018"	1030.609776	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H"	1.007276
"138469"	1030.609776	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+2H"	2.014552
"571472"	1545.411026	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+2H"	2.014552
"1040271"	515.808526	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2H"	2.014552
"210359"	687.408942666667	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+3H"	3.021828
"652107"	1030.609776	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+3H"	3.021828
"1173514"	344.208109333333	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+3H"	3.021828
"436791"	2077.238823	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+NH4"	18.033823
"792318"	3106.841323	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+NH4"	18.033823
"1689744"	1047.636323	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+NH4"	18.033823
"342397"	1039.1230495	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+H+NH4"	19.041099
"732632"	1553.9242995	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+H+NH4"	19.041099
"1488275"	524.3217995	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H+NH4"	19.041099
"404040"	2082.194218	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+Na"	22.989218
"760661"	3111.796718	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+Na"	22.989218
"1610947"	1052.591718	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Na"	22.989218
"322079"	1041.600747	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+H+Na"	23.996494
"710126"	1556.401997	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+H+Na"	23.996494
"1474887"	526.799497	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H+Na"	23.996494
"1063757"	351.535423333333	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2H+Na"	25.00377
"1269812"	1062.635986	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+CH3OH+H"	33.033486
"389481"	2098.168158	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+K"	38.963158
"751570"	3127.770658	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+K"	38.963158
"1552526"	1068.565658	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+K"	38.963158
"309701"	1049.587717	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+H+K"	39.970434
"704315"	1564.388967	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+H+K"	39.970434
"1455948"	534.786467	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H+K"	39.970434
"250018"	2101.238826	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+ACN+H"	42.033826
"1220539"	1071.636326	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+ACN+H"	42.033826
"1205513"	536.321801	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+ACN+2H"	43.041102
"199479"	2104.17616	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+2Na-H"	44.97116
"636852"	3133.77866	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+2Na-H"	44.97116
"1143638"	1074.57366	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2Na-H"	44.97116
"179274"	1052.591718	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+2Na"	45.978436
"619197"	1567.392968	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+2Na"	45.978436
"1127807"	537.790468	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2Na"	45.978436
"1408051"	358.862737333333	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H+2Na"	46.985712
"1436887"	1076.615246	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H+HCOOH"	47.012746
"229500"	1057.62474	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+3H2O+2H"	56.04448
"1509904"	1090.66729	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+IsoProp+H"	61.06479
"410689"	1060.578688	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+Na+K"	61.952376
"774238"	1575.379938	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+Na+K"	61.952376
"1672760"	545.777438	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Na+K"	61.952376
"258554"	2123.220768	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+ACN+Na"	64.015768
"1241229"	1093.618268	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+ACN+Na"	64.015768
"1728253"	1093.641793	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+NH4+HCOOH"	64.039293
"1193290"	366.190051333333	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+3Na"	68.967654
"1662691"	1098.597188	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Na+HCOOH"	68.994688
"171738"	2136.12404	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+2K-H"	76.91904
"611300"	3165.72654	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+2K-H"	76.91904
"1097999"	1106.52154	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2K-H"	76.91904
"156516"	1068.565658	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"2M+2K"	77.926316
"596808"	1583.366908	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"3M+2K"	77.926316
"1083017"	553.764408	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2K"	77.926316
"1108814"	1108.536092	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2K+H"	78.933592
"1349576"	1108.623707	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+DMSO+H"	79.021207
"1020781"	1112.662876	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2ACN+H"	83.060376
"1539024"	1113.656508	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+IsoProp+Na+H"	84.054008
"1005352"	556.835076	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+2ACN+2H"	84.067652
"1601557"	1114.571128	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+K+HCOOH"	84.968628
"1425028"	1144.602638	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+H+CF3COOH"	115.000138
"1161513"	577.348351	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+3ACN+2H"	125.094202
"1709238"	1161.629185	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+NH4+CF3COOH"	132.026685
"1644889"	1166.58458	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+Na+CF3COOH"	136.98208
"1575072"	1182.55852	"C15182"	"Temsirolimus;CCI 779;42-3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoaterapamycin"	"C56H87NO16"	"1029.6025"	"M+K+CF3COOH"	152.95602
"804344"	989.5629	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M"	0
"975083"	970.54451	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-H2O-H"	-19.01839
"65392"	658.701324	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M-3H"	-3.021828
"503733"	988.555624	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M-3H"	-3.021828
"881662"	328.847024	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-3H"	-3.021828
"840"	988.555624	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M-2H"	-2.014552
"441009"	1483.337074	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M-2H"	-2.014552
"817590"	493.774174	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-2H"	-2.014552
"79282"	1978.118524	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M-H"	-1.007276
"518841"	2967.681424	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M-H"	-1.007276
"896272"	988.555624	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-H"	-1.007276
"49086"	1995.145071	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M-2H+NH4"	16.019271
"488400"	2984.707971	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M-2H+NH4"	16.019271
"866325"	1005.582171	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-2H+NH4"	16.019271
"32887"	2000.100466	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M-2H+Na"	20.974666
"474879"	2989.663366	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M-2H+Na"	20.974666
"849640"	1010.537566	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-2H+Na"	20.974666
"1619293"	1010.537566	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Na-2H"	20.974666
"95339"	1006.543963	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M-H+Cl"	33.962126
"534738"	1501.325413	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M-H+Cl"	33.962126
"927810"	511.762513	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-H+Cl"	33.962126
"274759"	2014.095202	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+Cl"	34.969402
"665719"	3003.658102	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+Cl"	34.969402
"1277027"	1024.532302	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Cl"	34.969402
"20681"	2016.074406	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M-2H+K"	36.948606
"462794"	3005.637306	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M-2H+K"	36.948606
"839508"	1026.511506	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-2H+K"	36.948606
"1562995"	1026.511506	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+K-2H"	36.948606
"954161"	1034.561094	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-H+HCOOH"	44.998194
"366909"	2024.124001	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+HCOOH-H"	44.998201
"348604"	2038.139651	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+Hac-H"	59.013851
"1495249"	1048.576751	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Hac-H"	59.013851
"962790"	1056.543051	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-H+NaCOOH"	66.980151
"119350"	1024.532302	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+2Cl"	69.938804
"555629"	1519.313752	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+2Cl"	69.938804
"1025523"	529.750852	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2Cl"	69.938804
"1245464"	1068.481785	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Br"	78.918885
"1308641"	1070.537772	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Cl+HCOOH"	80.974872
"1325409"	1092.519729	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Cl+NaCOOH"	102.956829
"919382"	1102.548486	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M-H+CF3COOH"	112.985586
"1294996"	1138.525164	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Cl+CF3COOH"	148.962264
"1371334"	954.550224	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H-2H2O"	-35.012676
"1385185"	972.5602	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H-H2O"	-17.0027
"283074"	1980.133076	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+H"	1.007276
"681686"	2969.695976	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+H"	1.007276
"1359128"	990.570176	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H"	1.007276
"138215"	990.570176	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+2H"	2.014552
"568300"	1485.351626	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+2H"	2.014552
"1040379"	495.788726	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2H"	2.014552
"207188"	660.715876	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+3H"	3.021828
"650030"	990.570176	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+3H"	3.021828
"1170344"	330.861576	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+3H"	3.021828
"434714"	1997.159623	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+NH4"	18.033823
"791335"	2986.722523	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+NH4"	18.033823
"1689854"	1007.596723	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+NH4"	18.033823
"341414"	999.0834495	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+H+NH4"	19.041099
"732742"	1493.8648995	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+H+NH4"	19.041099
"1488749"	504.3019995	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H+NH4"	19.041099
"400870"	2002.115018	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+Na"	22.989218
"757491"	2991.677918	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+Na"	22.989218
"1602787"	1012.552118	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Na"	22.989218
"318909"	1001.561147	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+H+Na"	23.996494
"709143"	1496.342597	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+H+Na"	23.996494
"1474997"	506.779697	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H+Na"	23.996494
"1062774"	338.18889	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2H+Na"	25.00377
"1269922"	1022.596386	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+CH3OH+H"	33.033486
"390684"	2018.088958	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+K"	38.963158
"750587"	3007.651858	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+K"	38.963158
"1550450"	1028.526058	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+K"	38.963158
"308354"	1009.548117	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+H+K"	39.970434
"704425"	1504.329567	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+H+K"	39.970434
"1456058"	514.766667	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H+K"	39.970434
"247942"	2021.159626	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+ACN+H"	42.033826
"1220649"	1031.596726	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+ACN+H"	42.033826
"1203437"	516.302001	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+ACN+2H"	43.041102
"196310"	2024.09696	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+2Na-H"	44.97116
"634775"	3013.65986	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+2Na-H"	44.97116
"1141562"	1034.53406	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2Na-H"	44.97116
"176101"	1012.552118	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+2Na"	45.978436
"615660"	1507.333568	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+2Na"	45.978436
"1121720"	517.770668	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2Na"	45.978436
"1401959"	345.516204	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H+2Na"	46.985712
"1433351"	1036.575646	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H+HCOOH"	47.012746
"227787"	1017.58514	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+3H2O+2H"	56.04448
"1510742"	1050.62769	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+IsoProp+H"	61.06479
"410435"	1020.539088	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+Na+K"	61.952376
"775441"	1515.320538	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+Na+K"	61.952376
"1667403"	525.757638	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Na+K"	61.952376
"258300"	2043.141568	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+ACN+Na"	64.015768
"1241107"	1053.578668	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+ACN+Na"	64.015768
"1727429"	1053.602193	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+NH4+HCOOH"	64.039293
"1194005"	352.843518	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+3Na"	68.967654
"1662802"	1058.557588	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Na+HCOOH"	68.994688
"171848"	2056.04484	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+2K-H"	76.91904
"611288"	3045.60774	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+2K-H"	76.91904
"1098596"	1066.48194	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2K-H"	76.91904
"154681"	1028.526058	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"2M+2K"	77.926316
"594486"	1523.307508	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"3M+2K"	77.926316
"1080089"	533.744608	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2K"	77.926316
"1108924"	1068.496492	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2K+H"	78.933592
"1346403"	1068.584107	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+DMSO+H"	79.021207
"1020037"	1072.623276	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2ACN+H"	83.060376
"1539135"	1073.616908	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+IsoProp+Na+H"	84.054008
"1003882"	536.815276	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+2ACN+2H"	84.067652
"1599479"	1074.531528	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+K+HCOOH"	84.968628
"1429029"	1104.563038	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+H+CF3COOH"	115.000138
"1159802"	557.328551	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+3ACN+2H"	125.094202
"1711535"	1121.589585	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+NH4+CF3COOH"	132.026685
"1644999"	1126.54498	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+Na+CF3COOH"	136.98208
"1575182"	1142.51892	"C15183"	"AP 23573;42-(Dimethylphosphinate)rapamycin;Deforolimus"	"C53H84NO14P"	"989.5629"	"M+K+CF3COOH"	152.95602
"802995"	302.2246	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M"	0
"977991"	283.20621	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"67325"	200.475790666667	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"503234"	301.217324	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"887970"	99.7342573333333	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"3263"	301.217324	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"441122"	452.329624	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"818069"	150.105024	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"79516"	603.441924	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"518571"	905.666524	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"895896"	301.217324	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"50166"	620.468471	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"490820"	922.693071	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"865463"	318.243871	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"32514"	625.423866	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"474989"	927.648466	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"849268"	323.199266	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1619409"	323.199266	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"96665"	319.205663	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"539513"	470.317963	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"930112"	168.093363	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"274869"	639.418602	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"665101"	941.643202	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1276045"	337.194002	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"20063"	641.397806	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"462905"	943.622406	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"842899"	339.173206	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1567480"	339.173206	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"957187"	347.222794	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"373579"	649.447401	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"348715"	663.463051	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1499733"	361.238451	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"961807"	369.204751	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"112901"	337.194002	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"552461"	488.306302	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1025633"	186.081702	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1249586"	381.143485	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1308752"	383.199472	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1325155"	405.181429	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"915119"	415.210186	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1289275"	451.186864	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1371080"	267.211924	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1385295"	285.2219	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"282928"	605.456476	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"682889"	907.681076	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1360331"	303.231876	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"133219"	303.231876	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"569139"	454.344176	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1041947"	152.119576	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"210578"	202.490342666667	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"650140"	303.231876	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1172642"	101.748809333333	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"437744"	622.483023	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"799102"	924.707623	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1689964"	320.258423	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"341524"	311.7451495	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"732852"	462.8574495	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1485579"	160.6328495	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"400980"	627.438418	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"755777"	929.663018	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1603872"	325.213818	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"319019"	314.222847	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"708033"	465.335147	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1474013"	163.110547	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1062884"	109.076123333333	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1270760"	335.258086	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"391888"	643.412358	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"750697"	945.636958	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1551655"	341.187758	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"307735"	322.209817	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"705628"	473.322117	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1456168"	171.097517	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"245863"	646.483026	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1221852"	344.258426	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1203547"	172.632851	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"202253"	649.42036	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"641083"	951.64496	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1142768"	347.19576	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"181682"	325.213818	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"623428"	476.326118	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1124747"	174.101518	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1407176"	116.403437333333	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1440387"	349.237346	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"227900"	330.24684	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1509764"	363.28939	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"413825"	333.200788	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"779198"	484.313088	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1672982"	182.088488	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"264245"	668.464968	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1241012"	366.240368	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1725474"	366.263893	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1192539"	123.730751333333	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1662915"	371.219288	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"170867"	681.36824	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"610426"	983.59284	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1098829"	379.14364	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"153940"	341.187758	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"596790"	492.300058	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1082266"	190.075458	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1112315"	381.158192	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1348701"	381.245807	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1020148"	385.284976	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1539372"	386.278608	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1005611"	193.146126	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1602560"	387.193228	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1429261"	417.224738	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1162099"	213.659401	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1710551"	434.251285	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1646202"	439.20668	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1575292"	455.18062	"C15184"	"17beta-Hydroxy-6alpha-methylandrost-4-en-3-one;6alpha-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"803472"	386.2093	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M"	0
"976277"	367.19091	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-H2O-H"	-19.01839
"63543"	256.465590666667	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M-3H"	-3.021828
"504436"	385.202024	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M-3H"	-3.021828
"883705"	127.729157333333	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-3H"	-3.021828
"3373"	385.202024	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M-2H"	-2.014552
"441109"	578.306674	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M-2H"	-2.014552
"818544"	192.097374	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-2H"	-2.014552
"78770"	771.411324	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M-H"	-1.007276
"518692"	1157.620624	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M-H"	-1.007276
"895692"	385.202024	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-H"	-1.007276
"51369"	788.437871	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M-2H+NH4"	16.019271
"489107"	1174.647171	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M-2H+NH4"	16.019271
"866545"	402.228571	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-2H+NH4"	16.019271
"34446"	793.393266	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M-2H+Na"	20.974666
"474006"	1179.602566	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M-2H+Na"	20.974666
"850715"	407.183966	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-2H+Na"	20.974666
"1618830"	407.183966	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Na-2H"	20.974666
"95317"	403.190363	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M-H+Cl"	33.962126
"539623"	596.295013	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M-H+Cl"	33.962126
"931678"	210.085713	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-H+Cl"	33.962126
"274979"	807.388002	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+Cl"	34.969402
"664119"	1193.597302	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+Cl"	34.969402
"1275427"	421.178702	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Cl"	34.969402
"18714"	809.367206	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M-2H+K"	36.948606
"465202"	1195.576506	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M-2H+K"	36.948606
"846290"	423.157906	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-2H+K"	36.948606
"1569777"	423.157906	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+K-2H"	36.948606
"958028"	431.207494	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-H+HCOOH"	44.998194
"373689"	817.416801	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+HCOOH-H"	44.998201
"349919"	831.432451	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+Hac-H"	59.013851
"1502030"	445.223151	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Hac-H"	59.013851
"961917"	453.189451	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-H+NaCOOH"	66.980151
"117385"	421.178702	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+2Cl"	69.938804
"554757"	614.283352	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+2Cl"	69.938804
"1027930"	228.074052	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2Cl"	69.938804
"1249696"	465.128185	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Br"	78.918885
"1311050"	467.184172	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Cl+HCOOH"	80.974872
"1327452"	489.166129	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Cl+NaCOOH"	102.956829
"920696"	499.194886	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M-H+CF3COOH"	112.985586
"1291937"	535.171564	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Cl+CF3COOH"	148.962264
"1371190"	351.196624	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H-2H2O"	-35.012676
"1387593"	369.2066	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H-H2O"	-17.0027
"283266"	773.425876	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+H"	1.007276
"686279"	1159.635176	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+H"	1.007276
"1360441"	387.216576	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H"	1.007276
"135516"	387.216576	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+2H"	2.014552
"570707"	580.321226	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+2H"	2.014552
"1046066"	194.111926	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2H"	2.014552
"217980"	258.480142666667	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+3H"	3.021828
"649157"	387.216576	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+3H"	3.021828
"1172750"	129.743709333333	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+3H"	3.021828
"437854"	790.452423	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+NH4"	18.033823
"797755"	1176.661723	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+NH4"	18.033823
"1691167"	404.243123	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+NH4"	18.033823
"337259"	395.7298495	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+H+NH4"	19.041099
"726034"	588.8344995	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+H+NH4"	19.041099
"1478274"	202.6251995	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H+NH4"	19.041099
"401090"	795.407818	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+Na"	22.989218
"757711"	1181.617118	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+Na"	22.989218
"1604716"	409.198518	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Na"	22.989218
"319129"	398.207547	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+H+Na"	23.996494
"710817"	591.312197	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+H+Na"	23.996494
"1474123"	205.102897	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H+Na"	23.996494
"1062994"	137.071023333333	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2H+Na"	25.00377
"1266859"	419.242786	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+CH3OH+H"	33.033486
"390903"	811.381758	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+K"	38.963158
"750807"	1197.591058	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+K"	38.963158
"1550672"	425.172458	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+K"	38.963158
"310031"	406.194517	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+H+K"	39.970434
"703551"	599.299167	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+H+K"	39.970434
"1456278"	213.089867	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H+K"	39.970434
"244879"	814.452426	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+ACN+H"	42.033826
"1221962"	428.243126	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+ACN+H"	42.033826
"1203657"	214.625201	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+ACN+2H"	43.041102
"201998"	817.38976	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+2Na-H"	44.97116
"640464"	1203.59906	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+2Na-H"	44.97116
"1140691"	431.18046	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2Na-H"	44.97116
"180333"	409.198518	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+2Na"	45.978436
"624631"	602.303168	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+2Na"	45.978436
"1121940"	216.093868	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2Na"	45.978436
"1402182"	144.398337333333	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H+2Na"	46.985712
"1437214"	433.222046	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H+HCOOH"	47.012746
"226916"	414.23154	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+3H2O+2H"	56.04448
"1514977"	447.27409	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+IsoProp+H"	61.06479
"413935"	417.185488	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+Na+K"	61.952376
"781129"	610.290138	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+Na+K"	61.952376
"1675277"	224.080838	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Na+K"	61.952376
"261437"	836.434368	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+ACN+Na"	64.015768
"1235604"	450.225068	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+ACN+Na"	64.015768
"1723032"	450.248593	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+NH4+HCOOH"	64.039293
"1193742"	151.725651333333	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+3Na"	68.967654
"1664241"	455.203988	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Na+HCOOH"	68.994688
"170977"	849.33764	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+2K-H"	76.91904
"609442"	1235.54694	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+2K-H"	76.91904
"1098330"	463.12834	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2K-H"	76.91904
"155143"	425.172458	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"2M+2K"	77.926316
"596819"	618.277108	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"3M+2K"	77.926316
"1082497"	232.067808	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2K"	77.926316
"1110238"	465.142892	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2K+H"	78.933592
"1350756"	465.230507	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+DMSO+H"	79.021207
"1020626"	469.269676	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2ACN+H"	83.060376
"1539482"	470.263308	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+IsoProp+Na+H"	84.054008
"1005205"	235.138476	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+2ACN+2H"	84.067652
"1602262"	471.177928	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+K+HCOOH"	84.968628
"1429573"	501.209438	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+H+CF3COOH"	115.000138
"1162535"	255.651751	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+3ACN+2H"	125.094202
"1710297"	518.235985	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+NH4+CF3COOH"	132.026685
"1645219"	523.19138	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+Na+CF3COOH"	136.98208
"1575402"	539.16532	"C15185"	"21-Acetyloxy-17-hydroxypregna-14-diene-320-dione;11-Deoxyprednisone acetate"	"C23H30O5"	"386.2093"	"M+K+CF3COOH"	152.95602
"801568"	340.2402	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M"	0
"977117"	321.22181	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-H2O-H"	-19.01839
"64627"	225.819524	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M-3H"	-3.021828
"503251"	339.232924	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M-3H"	-3.021828
"882722"	112.406124	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-3H"	-3.021828
"3483"	339.232924	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M-2H"	-2.014552
"443041"	509.353024	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M-2H"	-2.014552
"818290"	169.112824	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-2H"	-2.014552
"78877"	679.473124	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M-H"	-1.007276
"518764"	1019.713324	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M-H"	-1.007276
"896274"	339.232924	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-H"	-1.007276
"48927"	696.499671	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M-2H+NH4"	16.019271
"489946"	1036.739871	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M-2H+NH4"	16.019271
"867748"	356.259471	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-2H+NH4"	16.019271
"35649"	701.455066	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M-2H+Na"	20.974666
"475210"	1041.695266	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M-2H+Na"	20.974666
"849489"	361.214866	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-2H+Na"	20.974666
"1618770"	361.214866	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Na-2H"	20.974666
"95429"	357.221263	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M-H+Cl"	33.962126
"540097"	527.341363	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M-H+Cl"	33.962126
"929601"	187.101163	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-H+Cl"	33.962126
"275089"	715.449802	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+Cl"	34.969402
"664229"	1055.690002	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+Cl"	34.969402
"1274809"	375.209602	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Cl"	34.969402
"18460"	717.429006	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M-2H+K"	36.948606
"465312"	1057.669206	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M-2H+K"	36.948606
"845307"	377.188806	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-2H+K"	36.948606
"1566607"	377.188806	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+K-2H"	36.948606
"951210"	385.238394	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-H+HCOOH"	44.998194
"370519"	725.478601	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+HCOOH-H"	44.998201
"352215"	739.494251	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+Hac-H"	59.013851
"1496672"	399.254051	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Hac-H"	59.013851
"963120"	407.220351	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-H+NaCOOH"	66.980151
"118588"	375.209602	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+2Cl"	69.938804
"550858"	545.329702	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+2Cl"	69.938804
"1024760"	205.089502	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2Cl"	69.938804
"1243610"	419.159085	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Br"	78.918885
"1313348"	421.215072	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Cl+HCOOH"	80.974872
"1322824"	443.197029	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Cl+NaCOOH"	102.956829
"914246"	453.225786	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M-H+CF3COOH"	112.985586
"1292047"	489.202464	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Cl+CF3COOH"	148.962264
"1371300"	305.227524	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H-2H2O"	-35.012676
"1387703"	323.2375	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H-H2O"	-17.0027
"285202"	681.487676	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+H"	1.007276
"686389"	1021.727876	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+H"	1.007276
"1360551"	341.247476	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H"	1.007276
"135626"	341.247476	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+2H"	2.014552
"576285"	511.367576	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+2H"	2.014552
"1048364"	171.127376	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2H"	2.014552
"217727"	227.834076	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+3H"	3.021828
"652547"	341.247476	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+3H"	3.021828
"1173592"	114.420676	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+3H"	3.021828
"439057"	698.514223	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+NH4"	18.033823
"798230"	1038.754423	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+NH4"	18.033823
"1691277"	358.274023	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+NH4"	18.033823
"337369"	349.7607495	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+H+NH4"	19.041099
"723957"	519.8808495	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+H+NH4"	19.041099
"1478871"	179.6406495	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H+NH4"	19.041099
"401200"	703.469618	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+Na"	22.989218
"757821"	1043.709818	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+Na"	22.989218
"1607011"	363.229418	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Na"	22.989218
"315958"	352.238447	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+H+Na"	23.996494
"709835"	522.358547	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+H+Na"	23.996494
"1470951"	182.118347	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H+Na"	23.996494
"1065290"	121.74799	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2H+Na"	25.00377
"1261500"	373.273686	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+CH3OH+H"	33.033486
"387731"	719.443558	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+K"	38.963158
"747635"	1059.683758	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+K"	38.963158
"1548596"	379.203358	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+K"	38.963158
"307954"	360.225417	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+H+K"	39.970434
"702934"	530.345517	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+H+K"	39.970434
"1454201"	190.105317	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H+K"	39.970434
"244989"	722.514226	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+ACN+H"	42.033826
"1222072"	382.274026	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+ACN+H"	42.033826
"1201581"	191.640651	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+ACN+2H"	43.041102
"196640"	725.45156	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+2Na-H"	44.97116
"636198"	1065.69176	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+2Na-H"	44.97116
"1140798"	385.21136	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2Na-H"	44.97116
"176798"	363.229418	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+2Na"	45.978436
"617450"	533.349518	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+2Na"	45.978436
"1120225"	193.109318	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2Na"	45.978436
"1399978"	129.075304	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H+2Na"	46.985712
"1432947"	387.252946	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H+HCOOH"	47.012746
"227021"	368.26244	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+3H2O+2H"	56.04448
"1513994"	401.30499	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+IsoProp+H"	61.06479
"415869"	371.216388	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+Na+K"	61.952376
"780147"	541.336488	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+Na+K"	61.952376
"1673201"	201.096288	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Na+K"	61.952376
"263370"	744.496168	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+ACN+Na"	64.015768
"1234619"	404.255968	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+ACN+Na"	64.015768
"1721319"	404.279493	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+NH4+HCOOH"	64.039293
"1193976"	136.402618	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+3Na"	68.967654
"1664956"	409.234888	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Na+HCOOH"	68.994688
"169993"	757.39944	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+2K-H"	76.91904
"610281"	1097.63964	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+2K-H"	76.91904
"1098318"	417.15924	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2K-H"	76.91904
"154160"	379.203358	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"2M+2K"	77.926316
"593724"	549.323458	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"3M+2K"	77.926316
"1081514"	209.083258	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2K"	77.926316
"1110348"	419.173792	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2K+H"	78.933592
"1350623"	419.261407	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+DMSO+H"	79.021207
"1020611"	423.300576	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2ACN+H"	83.060376
"1539819"	424.294208	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+IsoProp+Na+H"	84.054008
"1005574"	212.153926	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+2ACN+2H"	84.067652
"1602548"	425.208828	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+K+HCOOH"	84.968628
"1429239"	455.240338	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+H+CF3COOH"	115.000138
"1162606"	232.667201	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+3ACN+2H"	125.094202
"1709679"	472.266885	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+NH4+CF3COOH"	132.026685
"1642050"	477.22228	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+Na+CF3COOH"	136.98208
"1577698"	493.19622	"C15186"	"5alpha17alpha-Pregn-2-en-20-yn-17-ol acetate;17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate"	"C23H32O2"	"340.2402"	"M+K+CF3COOH"	152.95602
"810253"	328.2038	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M"	0
"987069"	309.18541	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"73124"	217.795257333333	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"507215"	327.196524	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"882832"	108.393990666667	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"2499"	327.196524	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"442060"	491.298424	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"818766"	163.094624	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"80214"	655.400324	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"520869"	983.604124	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"901588"	327.196524	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"48672"	672.426871	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"487452"	1000.630671	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"865053"	344.223071	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"31815"	677.382266	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"474227"	1005.586066	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"856405"	349.178466	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1620470"	349.178466	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"99186"	345.184863	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"540934"	509.286763	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"936640"	181.082963	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"277385"	691.377002	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"671996"	1019.580802	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1283304"	363.173202	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"28049"	693.356206	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"469797"	1021.560006	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"845417"	365.152406	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1567811"	365.152406	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"953509"	373.201994	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"375372"	701.405801	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"358887"	715.421451	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1505532"	387.217651	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"973072"	395.183951	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"121979"	363.173202	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"560446"	527.275102	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1032526"	199.071302	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1253197"	407.122685	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1316738"	409.178672	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1327673"	431.160629	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"919823"	441.189386	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1298718"	477.166064	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1371411"	293.191124	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1387814"	311.2011	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"288592"	657.414876	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"685402"	985.618676	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1363936"	329.211076	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"134643"	329.211076	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"578953"	493.312976	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1048114"	165.109176	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"217595"	219.809809333333	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"649377"	329.211076	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1175894"	110.408542666667	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"437712"	674.441423	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"796518"	1002.645223	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1694676"	346.237623	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"341129"	337.7243495	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"735738"	501.8262495	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1486639"	173.6224495	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"403135"	679.396818	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"761213"	1007.600618	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1607125"	351.193018	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"322265"	340.202047	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"716144"	504.303947	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1469242"	176.100147	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1063212"	117.735856666667	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1263802"	361.237286	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"383468"	695.370758	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"744460"	1023.574558	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1546512"	367.166958	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"306969"	348.189017	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"699391"	512.290917	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1449936"	184.087117	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"242906"	698.441426	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1222183"	370.237626	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1203877"	185.622451	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"197843"	701.37876	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"641777"	1029.58256	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1143825"	373.17496	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"183105"	351.193018	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"625218"	515.294918	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1125078"	187.091118	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1406413"	125.063170666667	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1438529"	375.216546	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"230413"	356.22604	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1515199"	389.26859	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"415980"	359.179988	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"780987"	523.281888	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1672218"	195.078088	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"263114"	720.423368	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1236921"	392.219568	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1723616"	392.243093	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1191527"	132.390484666667	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1658868"	397.198488	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"163543"	733.32664	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"602009"	1061.53044	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1093083"	405.12284	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"147712"	367.166958	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"584355"	531.268858	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1073972"	203.065058	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1109367"	407.137392	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1346846"	407.225007	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1018655"	411.264176	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1536781"	412.257808	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"1005545"	206.135726	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1602598"	413.172428	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1428131"	443.203938	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1161336"	226.649001	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1709789"	460.230485	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1642160"	465.18588	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1571612"	481.15982	"C15187"	"11beta12beta-Epoxypregn-4-ene-320-dione;11beta12beta-Epoxyprogesterone"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"801557"	302.2246	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M"	0
"975393"	283.20621	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"63389"	200.475790666667	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"503077"	301.217324	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"881849"	99.7342573333333	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"1516"	301.217324	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"442170"	452.329624	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"819604"	150.105024	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"81417"	603.441924	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"520856"	905.666524	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"900605"	301.217324	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"48416"	620.468471	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"487357"	922.693071	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"865034"	318.243871	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"32206"	625.423866	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"475430"	927.648466	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"859795"	323.199266	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1620580"	323.199266	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"98567"	319.205663	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"538129"	470.317963	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"935657"	168.093363	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"276402"	639.418602	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"672106"	941.643202	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1283415"	337.194002	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"27065"	641.397806	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"467720"	943.622406	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"844434"	339.173206	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1570108"	339.173206	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"951432"	347.222794	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"372927"	649.447401	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"352437"	663.463051	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1497988"	361.238451	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"966622"	369.204751	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"120996"	337.194002	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"565579"	488.306302	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1036892"	186.081702	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1256587"	381.143485	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1316847"	383.199472	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1331063"	405.181429	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"914467"	415.210186	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1295548"	451.186864	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1369332"	267.211924	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1389018"	285.2219	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"285784"	605.456476	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"684418"	907.681076	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1361859"	303.231876	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"133657"	303.231876	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"579063"	454.344176	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1050412"	152.119576	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"217947"	202.490342666667	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"649487"	303.231876	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1174173"	101.748809333333	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"437815"	622.483023	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"799542"	924.707623	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1692599"	320.258423	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"343062"	311.7451495	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"733291"	462.8574495	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1488572"	160.6328495	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"400325"	627.438418	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"767885"	929.663018	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1610515"	325.213818	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"327602"	314.222847	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"719902"	465.335147	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1470083"	163.110547	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1063323"	109.076123333333	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1265006"	335.258086	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"386857"	643.412358	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"744570"	945.636958	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1549902"	341.187758	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"305985"	322.209817	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"700594"	473.322117	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1452232"	171.097517	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"243016"	646.483026	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1222293"	344.258426	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1203987"	172.632851	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"196860"	649.42036	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"640795"	951.64496	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1143206"	347.19576	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"185038"	325.213818	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"622777"	476.326118	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1126281"	174.101518	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1408710"	116.403437333333	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1438639"	349.237346	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"230523"	330.24684	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1516403"	363.28939	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"417184"	333.200788	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"781460"	484.313088	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1674516"	182.088488	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"263224"	668.464968	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1238124"	366.240368	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1725185"	366.263893	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1191880"	123.730751333333	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1661166"	371.219288	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"170214"	681.36824	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"607588"	983.59284	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1096473"	379.14364	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"153290"	341.187758	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"589569"	492.300058	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1079549"	190.075458	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1113609"	381.158192	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1349140"	381.245807	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1020588"	385.284976	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1537620"	386.278608	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1005606"	193.146126	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1602641"	387.193228	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1428240"	417.224738	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1162703"	213.659401	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1710628"	434.251285	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1642270"	439.20668	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1572451"	455.18062	"C15188"	"19-Nor-5alpha-pregnane-320-dione"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"802818"	256.0291	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M"	0
"975261"	237.01071	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-H2O-H"	-19.01839
"63211"	169.678790666667	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M-3H"	-3.021828
"505243"	255.021824	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M-3H"	-3.021828
"884145"	84.3357573333333	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-3H"	-3.021828
"1626"	255.021824	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M-2H"	-2.014552
"441187"	383.036374	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M-2H"	-2.014552
"817887"	127.007274	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-2H"	-2.014552
"79085"	511.050924	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M-H"	-1.007276
"518772"	767.080024	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M-H"	-1.007276
"896702"	255.021824	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-H"	-1.007276
"49622"	528.077471	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M-2H+NH4"	16.019271
"488329"	784.106571	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M-2H+NH4"	16.019271
"864390"	272.048371	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-2H+NH4"	16.019271
"31674"	533.032866	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M-2H+Na"	20.974666
"474568"	789.061966	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M-2H+Na"	20.974666
"855531"	277.003766	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-2H+Na"	20.974666
"1620690"	277.003766	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Na-2H"	20.974666
"98313"	273.010163	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M-H+Cl"	33.962126
"538966"	401.024713	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M-H+Cl"	33.962126
"934672"	144.995613	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-H+Cl"	33.962126
"272137"	547.027602	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+Cl"	34.969402
"666746"	803.056702	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+Cl"	34.969402
"1280244"	290.998502	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Cl"	34.969402
"23894"	549.006806	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M-2H+K"	36.948606
"466735"	805.035906	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M-2H+K"	36.948606
"845637"	292.977706	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-2H+K"	36.948606
"1569124"	292.977706	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+K-2H"	36.948606
"957617"	301.027294	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-H+HCOOH"	44.998194
"375589"	557.056401	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+HCOOH-H"	44.998201
"360447"	571.072051	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+Hac-H"	59.013851
"1506845"	315.042951	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Hac-H"	59.013851
"972199"	323.009251	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-H+NaCOOH"	66.980151
"125359"	290.998502	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+2Cl"	69.938804
"565289"	419.013052	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+2Cl"	69.938804
"1036760"	162.983952	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2Cl"	69.938804
"1256697"	334.947985	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Br"	78.918885
"1315864"	337.003972	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Cl+HCOOH"	80.974872
"1331173"	358.985929	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Cl+NaCOOH"	102.956829
"914577"	369.014686	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M-H+CF3COOH"	112.985586
"1295658"	404.991364	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Cl+CF3COOH"	148.962264
"1369806"	221.016424	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H-2H2O"	-35.012676
"1384754"	239.0264	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H-H2O"	-17.0027
"285894"	513.065476	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+H"	1.007276
"688537"	769.094576	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+H"	1.007276
"1364885"	257.036376	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H"	1.007276
"139234"	257.036376	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+2H"	2.014552
"580997"	385.050926	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+2H"	2.014552
"1050887"	129.021826	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2H"	2.014552
"216964"	171.693342666667	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+3H"	3.021828
"655064"	257.036376	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+3H"	3.021828
"1175377"	86.3503093333334	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+3H"	3.021828
"437439"	530.092023	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+NH4"	18.033823
"799287"	786.121123	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+NH4"	18.033823
"1693793"	274.062923	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+NH4"	18.033823
"343900"	265.5496495	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+H+NH4"	19.041099
"735588"	393.5641995	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+H+NH4"	19.041099
"1483943"	137.5350995	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H+NH4"	19.041099
"400435"	535.047418	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+Na"	22.989218
"765807"	791.076518	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+Na"	22.989218
"1610624"	279.018318	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Na"	22.989218
"326130"	268.027347	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+H+Na"	23.996494
"719645"	396.041897	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+H+Na"	23.996494
"1474565"	140.012797	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H+Na"	23.996494
"1067890"	93.6776233333333	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2H+Na"	25.00377
"1270825"	289.062586	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+CH3OH+H"	33.033486
"389153"	551.021358	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+K"	38.963158
"744680"	807.050458	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+K"	38.963158
"1543814"	294.992258	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+K"	38.963158
"308283"	276.014317	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+H+K"	39.970434
"701797"	404.028867	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+H+K"	39.970434
"1458901"	147.999767	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H+K"	39.970434
"245314"	554.092026	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+ACN+H"	42.033826
"1221304"	298.062926	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+ACN+H"	42.033826
"1206282"	149.535101	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+ACN+2H"	43.041102
"199156"	557.02936	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+2Na-H"	44.97116
"642726"	813.05846	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+2Na-H"	44.97116
"1145502"	301.00026	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2Na-H"	44.97116
"184418"	279.018318	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+2Na"	45.978436
"622886"	407.032868	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+2Na"	45.978436
"1125297"	151.003768	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2Na"	45.978436
"1406633"	101.004937333333	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H+2Na"	46.985712
"1436561"	303.041846	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H+HCOOH"	47.012746
"226258"	284.05134	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+3H2O+2H"	56.04448
"1518694"	317.09389	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+IsoProp+H"	61.06479
"416193"	287.005288	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+Na+K"	61.952376
"780471"	415.019838	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+Na+K"	61.952376
"1675707"	158.990738	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Na+K"	61.952376
"255669"	576.073968	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+ACN+Na"	64.015768
"1226918"	320.044868	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+ACN+Na"	64.015768
"1726022"	320.068393	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+NH4+HCOOH"	64.039293
"1191380"	108.332251333333	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+3Na"	68.967654
"1660182"	325.023788	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Na+HCOOH"	68.994688
"170324"	588.97724	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+2K-H"	76.91904
"604418"	845.00634	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+2K-H"	76.91904
"1093302"	332.94814	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2K-H"	76.91904
"146840"	294.992258	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"2M+2K"	77.926316
"588585"	423.006808	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"3M+2K"	77.926316
"1079658"	166.977708	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2K"	77.926316
"1111774"	334.962692	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2K+H"	78.933592
"1348157"	335.050307	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+DMSO+H"	79.021207
"1018875"	339.089476	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2ACN+H"	83.060376
"1537609"	340.083108	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+IsoProp+Na+H"	84.054008
"1004057"	170.048376	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+2ACN+2H"	84.067652
"1602570"	340.997728	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+K+HCOOH"	84.968628
"1429079"	371.029238	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+H+CF3COOH"	115.000138
"1161191"	190.561651	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+3ACN+2H"	125.094202
"1710009"	388.055785	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+NH4+CF3COOH"	132.026685
"1642380"	393.01118	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+Na+CF3COOH"	136.98208
"1573654"	408.98512	"C15189"	"3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;3-(p-Chlorophenyl)coumarin"	"C15H9ClO2"	"256.0291"	"M+K+CF3COOH"	152.95602
"804386"	326.2246	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M"	0
"980838"	307.20621	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-H2O-H"	-19.01839
"63974"	216.475790666667	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M-3H"	-3.021828
"505353"	325.217324	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M-3H"	-3.021828
"887538"	107.734257333333	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-3H"	-3.021828
"3924"	325.217324	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M-2H"	-2.014552
"441657"	488.329624	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M-2H"	-2.014552
"819823"	162.105024	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-2H"	-2.014552
"78721"	651.441924	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M-H"	-1.007276
"518887"	977.666524	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M-H"	-1.007276
"897541"	325.217324	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-H"	-1.007276
"50096"	668.468471	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M-2H+NH4"	16.019271
"488803"	994.693071	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M-2H+NH4"	16.019271
"864442"	342.243871	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-2H+NH4"	16.019271
"31492"	673.423866	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M-2H+Na"	20.974666
"474558"	999.648466	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M-2H+Na"	20.974666
"851632"	347.199266	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-2H+Na"	20.974666
"1623353"	347.199266	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Na-2H"	20.974666
"108996"	343.205663	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M-H+Cl"	33.962126
"541264"	506.317963	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M-H+Cl"	33.962126
"936973"	180.093363	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-H+Cl"	33.962126
"275529"	687.418602	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+Cl"	34.969402
"675635"	1013.643202	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+Cl"	34.969402
"1284727"	361.194002	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Cl"	34.969402
"30565"	689.397806	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M-2H+K"	36.948606
"466845"	1015.622406	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M-2H+K"	36.948606
"846842"	363.173206	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-2H+K"	36.948606
"1569236"	363.173206	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+K-2H"	36.948606
"958418"	371.222794	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-H+HCOOH"	44.998194
"377093"	697.447401	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+HCOOH-H"	44.998201
"361337"	711.463051	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+Hac-H"	59.013851
"1503677"	385.238451	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Hac-H"	59.013851
"973041"	393.204751	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-H+NaCOOH"	66.980151
"124498"	361.194002	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+2Cl"	69.938804
"565237"	524.306302	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+2Cl"	69.938804
"1033951"	198.081702	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2Cl"	69.938804
"1256648"	405.143485	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Br"	78.918885
"1315977"	407.199472	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Cl+HCOOH"	80.974872
"1331285"	429.181429	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Cl+NaCOOH"	102.956829
"915054"	439.210186	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M-H+CF3COOH"	112.985586
"1289451"	475.186864	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Cl+CF3COOH"	148.962264
"1369192"	291.211924	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H-2H2O"	-35.012676
"1388145"	309.2219	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H-H2O"	-17.0027
"285640"	653.456476	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+H"	1.007276
"683543"	979.681076	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+H"	1.007276
"1364267"	327.231876	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H"	1.007276
"141128"	327.231876	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+2H"	2.014552
"580865"	490.344176	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+2H"	2.014552
"1051605"	164.119576	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2H"	2.014552
"218166"	218.490342666667	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+3H"	3.021828
"655174"	327.231876	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+3H"	3.021828
"1176580"	109.748809333333	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+3H"	3.021828
"437671"	670.483023	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+NH4"	18.033823
"798668"	996.707623	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+NH4"	18.033823
"1692809"	344.258423	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+NH4"	18.033823
"342912"	335.7451495	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+H+NH4"	19.041099
"733511"	498.8574495	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+H+NH4"	19.041099
"1486240"	172.6328495	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H+NH4"	19.041099
"400545"	675.438418	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+Na"	22.989218
"768104"	1001.663018	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+Na"	22.989218
"1614015"	349.213818	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Na"	22.989218
"326240"	338.222847	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+H+Na"	23.996494
"719755"	501.335147	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+H+Na"	23.996494
"1476933"	175.110547	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H+Na"	23.996494
"1068041"	117.076123333333	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2H+Na"	25.00377
"1272272"	359.258086	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+CH3OH+H"	33.033486
"389263"	691.412358	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+K"	38.963158
"748070"	1017.636958	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+K"	38.963158
"1546840"	365.187758	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+K"	38.963158
"308391"	346.209817	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+H+K"	39.970434
"700812"	509.322117	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+H+K"	39.970434
"1456823"	183.097517	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H+K"	39.970434
"247610"	694.483026	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+ACN+H"	42.033826
"1223601"	368.258426	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+ACN+H"	42.033826
"1206392"	184.632851	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+ACN+2H"	43.041102
"201453"	697.42036	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+2Na-H"	44.97116
"643201"	1023.64496	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+2Na-H"	44.97116
"1145612"	371.19576	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2Na-H"	44.97116
"183434"	349.213818	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+2Na"	45.978436
"621902"	512.326118	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+2Na"	45.978436
"1126500"	186.101518	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2Na"	45.978436
"1407836"	124.403437333333	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H+2Na"	46.985712
"1433391"	373.237346	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H+HCOOH"	47.012746
"227461"	354.24684	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+3H2O+2H"	56.04448
"1519898"	387.28939	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+IsoProp+H"	61.06479
"411197"	357.200788	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+Na+K"	61.952376
"781673"	520.313088	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+Na+K"	61.952376
"1675817"	194.088488	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Na+K"	61.952376
"259059"	716.464968	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+ACN+Na"	64.015768
"1227759"	390.240368	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+ACN+Na"	64.015768
"1725039"	390.263893	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+NH4+HCOOH"	64.039293
"1190035"	131.730751333333	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+3Na"	68.967654
"1659197"	395.219288	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Na+HCOOH"	68.994688
"164966"	729.36824	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+2K-H"	76.91904
"606715"	1055.59284	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+2K-H"	76.91904
"1094505"	403.14364	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2K-H"	76.91904
"148043"	365.187758	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"2M+2K"	77.926316
"589788"	528.300058	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"3M+2K"	77.926316
"1080861"	202.075458	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2K"	77.926316
"1110791"	405.158192	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2K+H"	78.933592
"1348876"	405.245807	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+DMSO+H"	79.021207
"1019351"	409.284976	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2ACN+H"	83.060376
"1537598"	410.278608	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+IsoProp+Na+H"	84.054008
"1003560"	205.146126	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+2ACN+2H"	84.067652
"1601344"	411.193228	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+K+HCOOH"	84.968628
"1428826"	441.224738	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+H+CF3COOH"	115.000138
"1162359"	225.659401	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+3ACN+2H"	125.094202
"1710119"	458.251285	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+NH4+CF3COOH"	132.026685
"1645770"	463.20668	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+Na+CF3COOH"	136.98208
"1574859"	479.18062	"C15190"	"12alpha-Methylpregna-49(11)-diene-320-dione"	"C22H30O2"	"326.2246"	"M+K+CF3COOH"	152.95602
"801479"	280.1099	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M"	0
"975601"	261.09151	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-H2O-H"	-19.01839
"62890"	185.732657333333	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M-3H"	-3.021828
"502840"	279.102624	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M-3H"	-3.021828
"887648"	92.3626906666667	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-3H"	-3.021828
"4034"	279.102624	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M-2H"	-2.014552
"440432"	419.157574	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M-2H"	-2.014552
"818477"	139.047674	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-2H"	-2.014552
"78631"	559.212524	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M-H"	-1.007276
"518629"	839.322424	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M-H"	-1.007276
"895785"	279.102624	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-H"	-1.007276
"47653"	576.239071	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M-2H+NH4"	16.019271
"487127"	856.348971	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M-2H+NH4"	16.019271
"864222"	296.129171	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-2H+NH4"	16.019271
"31474"	581.194466	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M-2H+Na"	20.974666
"471541"	861.304366	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M-2H+Na"	20.974666
"848742"	301.084566	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-2H+Na"	20.974666
"1619817"	301.084566	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Na-2H"	20.974666
"106189"	297.090963	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M-H+Cl"	33.962126
"540281"	437.145913	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M-H+Cl"	33.962126
"929422"	157.036013	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-H+Cl"	33.962126
"271264"	595.189202	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+Cl"	34.969402
"664778"	875.299102	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+Cl"	34.969402
"1280463"	315.079302	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Cl"	34.969402
"28488"	597.168406	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M-2H+K"	36.948606
"459300"	877.278306	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M-2H+K"	36.948606
"845131"	317.058506	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-2H+K"	36.948606
"1569347"	317.058506	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+K-2H"	36.948606
"958211"	325.108094	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-H+HCOOH"	44.998194
"376669"	605.218001	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+HCOOH-H"	44.998201
"361345"	619.233651	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+Hac-H"	59.013851
"1505611"	339.123751	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Hac-H"	59.013851
"972058"	347.090051	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-H+NaCOOH"	66.980151
"125220"	315.079302	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+2Cl"	69.938804
"564899"	455.134252	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+2Cl"	69.938804
"1036858"	175.024352	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2Cl"	69.938804
"1256556"	359.028785	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Br"	78.918885
"1316087"	361.084772	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Cl+HCOOH"	80.974872
"1328115"	383.066729	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Cl+NaCOOH"	102.956829
"914800"	393.095486	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M-H+CF3COOH"	112.985586
"1288751"	429.072164	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Cl+CF3COOH"	148.962264
"1369302"	245.097224	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H-2H2O"	-35.012676
"1388255"	263.1072	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H-H2O"	-17.0027
"286113"	561.227076	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+H"	1.007276
"682560"	841.336976	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+H"	1.007276
"1363283"	281.117176	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H"	1.007276
"137266"	281.117176	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+2H"	2.014552
"581259"	421.172126	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+2H"	2.014552
"1052573"	141.062226	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2H"	2.014552
"218642"	187.747209333333	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+3H"	3.021828
"657836"	281.117176	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+3H"	3.021828
"1177543"	94.3772426666667	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+3H"	3.021828
"433403"	578.253623	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+NH4"	18.033823
"795491"	858.363523	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+NH4"	18.033823
"1692919"	298.143723	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+NH4"	18.033823
"341195"	289.6304495	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+H+NH4"	19.041099
"730340"	429.6853995	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+H+NH4"	19.041099
"1484163"	149.5754995	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H+NH4"	19.041099
"400655"	583.209018	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+Na"	22.989218
"760558"	863.318918	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+Na"	22.989218
"1614125"	303.099118	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Na"	22.989218
"321975"	292.108147	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+H+Na"	23.996494
"719865"	432.163097	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+H+Na"	23.996494
"1474780"	152.053197	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H+Na"	23.996494
"1062558"	101.704556666667	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2H+Na"	25.00377
"1263140"	313.143386	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+CH3OH+H"	33.033486
"381713"	599.182958	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+K"	38.963158
"743803"	879.292858	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+K"	38.963158
"1550229"	319.073058	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+K"	38.963158
"305219"	300.095117	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+H+K"	39.970434
"697639"	440.150067	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+H+K"	39.970434
"1455836"	160.040167	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H+K"	39.970434
"243344"	602.253626	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+ACN+H"	42.033826
"1222618"	322.143726	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+ACN+H"	42.033826
"1208687"	161.575501	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+ACN+2H"	43.041102
"199371"	605.19096	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+2Na-H"	44.97116
"636743"	885.30086	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+2Na-H"	44.97116
"1143532"	325.08106	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2Na-H"	44.97116
"183544"	303.099118	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+2Na"	45.978436
"623105"	443.154068	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+2Na"	45.978436
"1123330"	163.044168	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2Na"	45.978436
"1402479"	109.031870666667	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H+2Na"	46.985712
"1432042"	327.122646	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H+HCOOH"	47.012746
"224291"	308.13214	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+3H2O+2H"	56.04448
"1517821"	341.17469	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+IsoProp+H"	61.06479
"411307"	311.086088	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+Na+K"	61.952376
"781783"	451.141038	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+Na+K"	61.952376
"1679207"	171.031138	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Na+K"	61.952376
"261356"	624.235568	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+ACN+Na"	64.015768
"1229692"	344.125668	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+ACN+Na"	64.015768
"1727459"	344.149193	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+NH4+HCOOH"	64.039293
"1193062"	116.359184666667	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+3Na"	68.967654
"1662589"	349.104588	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Na+HCOOH"	68.994688
"167264"	637.13884	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+2K-H"	76.91904
"607918"	917.24874	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+2K-H"	76.91904
"1095710"	357.02894	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2K-H"	76.91904
"155807"	319.073058	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"2M+2K"	77.926316
"595246"	459.128008	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"3M+2K"	77.926316
"1083777"	179.018108	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2K"	77.926316
"1115280"	359.043492	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2K+H"	78.933592
"1350324"	359.131107	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+DMSO+H"	79.021207
"1020432"	363.170276	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2ACN+H"	83.060376
"1538679"	364.163908	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+IsoProp+Na+H"	84.054008
"1005131"	182.088776	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+2ACN+2H"	84.067652
"1602660"	365.078528	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+K+HCOOH"	84.968628
"1429544"	395.110038	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+H+CF3COOH"	115.000138
"1162632"	202.602051	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+3ACN+2H"	125.094202
"1710229"	412.136585	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+NH4+CF3COOH"	132.026685
"1645880"	417.09198	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+Na+CF3COOH"	136.98208
"1574969"	433.06592	"C15191"	"(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran"	"C18H16O3"	"280.1099"	"M+K+CF3COOH"	152.95602
"804242"	316.2038	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M"	0
"979963"	297.18541	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"66018"	209.795257333333	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"504115"	315.196524	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"882289"	104.393990666667	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"3051"	315.196524	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"441511"	473.298424	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"820041"	157.094624	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"78928"	631.400324	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"518967"	947.604124	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"895788"	315.196524	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"47342"	648.426871	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"487789"	964.630671	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"864388"	332.223071	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"31573"	653.382266	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"472951"	969.586066	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"850390"	337.178466	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1620290"	337.178466	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"99738"	333.184863	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"539297"	491.286763	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"928799"	175.082963	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"270273"	667.377002	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"662336"	983.580802	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1283853"	351.173202	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"23131"	669.356206	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"459410"	985.560006	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"846333"	353.152406	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1569700"	353.152406	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"956250"	361.201994	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"376533"	677.405801	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"359804"	691.421451	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1500617"	375.217651	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"972168"	383.183951	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"123626"	351.173202	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"563184"	509.275102	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1030890"	193.071302	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1252654"	395.122685	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1318869"	397.178672	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1326038"	419.160629	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"913087"	429.189386	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1290158"	465.166064	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1370140"	281.191124	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1388364"	299.2011	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"285858"	633.414876	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"682670"	949.618676	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1360113"	317.211076	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"137376"	317.211076	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"580229"	475.312976	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1049392"	159.109176	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"218752"	211.809809333333	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"658310"	317.211076	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1177892"	106.408542666667	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"429139"	650.441423	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"787945"	966.645223	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1692665"	334.237623	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"340212"	325.7243495	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"730450"	483.8262495	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1480988"	167.6224495	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"398578"	655.396818	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"755441"	971.600618	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1605488"	339.193018	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"318804"	328.202047	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"717787"	486.303947	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1473433"	170.100147	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1059388"	113.735856666667	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1261063"	349.237286	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"379635"	671.370758	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"742819"	987.574558	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1549246"	355.166958	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"304235"	336.189017	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"695562"	494.290917	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1454852"	178.087117	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"244547"	674.441426	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1218354"	358.237626	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1200049"	179.622451	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"198388"	677.37876	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"634666"	993.58256	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1141455"	361.17496	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"182197"	339.193018	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"618843"	497.294918	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1122347"	181.091118	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1401496"	121.063170666667	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1431056"	363.216546	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"223308"	344.22604	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1511371"	377.26859	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"408590"	347.179988	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"776426"	505.281888	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1667289"	189.078088	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"254906"	696.423368	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1227004"	380.219568	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1726352"	380.243093	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1193536"	128.390484666667	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1664764"	385.198488	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"167374"	709.32664	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"605842"	1025.53044	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1096912"	393.12284	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"153730"	355.166958	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"595112"	513.268858	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1081811"	197.065058	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1113196"	395.137392	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1348487"	395.225007	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1015923"	399.264176	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1536236"	400.257808	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"1001592"	200.135726	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1600469"	401.172428	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1426130"	431.203938	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1160792"	220.649001	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1709246"	448.230485	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1645990"	453.18588	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1573986"	469.15982	"C15192"	"9beta11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"802165"	294.1368	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M"	0
"977887"	275.11841	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-H2O-H"	-19.01839
"63576"	195.083924	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M-3H"	-3.021828
"503983"	293.129524	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M-3H"	-3.021828
"883492"	97.038324	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-3H"	-3.021828
"2068"	293.129524	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M-2H"	-2.014552
"442352"	440.197924	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M-2H"	-2.014552
"819423"	146.061124	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-2H"	-2.014552
"78962"	587.266324	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M-H"	-1.007276
"518968"	881.403124	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M-H"	-1.007276
"896653"	293.129524	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-H"	-1.007276
"48110"	604.292871	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M-2H+NH4"	16.019271
"487205"	898.429671	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M-2H+NH4"	16.019271
"864231"	310.156071	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-2H+NH4"	16.019271
"31912"	609.248266	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M-2H+Na"	20.974666
"473060"	903.385066	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M-2H+Na"	20.974666
"850257"	315.111466	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-2H+Na"	20.974666
"1621130"	315.111466	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Na-2H"	20.974666
"98025"	311.117863	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M-H+Cl"	33.962126
"537949"	458.186263	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M-H+Cl"	33.962126
"929270"	164.049463	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-H+Cl"	33.962126
"269290"	623.243002	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+Cl"	34.969402
"661718"	917.379802	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+Cl"	34.969402
"1282870"	329.106202	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Cl"	34.969402
"23241"	625.222206	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M-2H+K"	36.948606
"456401"	919.359006	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M-2H+K"	36.948606
"846446"	331.085406	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-2H+K"	36.948606
"1568473"	331.085406	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+K-2H"	36.948606
"957089"	339.134994	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-H+HCOOH"	44.998194
"376763"	633.271801	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+HCOOH-H"	44.998201
"360767"	647.287451	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+Hac-H"	59.013851
"1500727"	353.150651	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Hac-H"	59.013851
"972278"	361.116951	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-H+NaCOOH"	66.980151
"123008"	329.106202	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+2Cl"	69.938804
"563660"	476.174602	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+2Cl"	69.938804
"1033916"	182.037802	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2Cl"	69.938804
"1252764"	373.055685	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Br"	78.918885
"1318372"	375.111672	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Cl+HCOOH"	80.974872
"1326148"	397.093629	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Cl+NaCOOH"	102.956829
"912831"	407.122386	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M-H+CF3COOH"	112.985586
"1291362"	443.099064	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Cl+CF3COOH"	148.962264
"1370980"	259.124124	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H-2H2O"	-35.012676
"1390661"	277.1341	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H-H2O"	-17.0027
"291439"	589.280876	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+H"	1.007276
"687884"	883.417676	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+H"	1.007276
"1362410"	295.144076	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H"	1.007276
"137853"	295.144076	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+2H"	2.014552
"579611"	442.212476	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+2H"	2.014552
"1050594"	148.075676	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2H"	2.014552
"218499"	197.098476	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+3H"	3.021828
"658418"	295.144076	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+3H"	3.021828
"1178327"	99.052876	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+3H"	3.021828
"431435"	606.307423	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+NH4"	18.033823
"786963"	900.444223	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+NH4"	18.033823
"1692044"	312.170623	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+NH4"	18.033823
"340322"	303.6573495	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+H+NH4"	19.041099
"728369"	450.7257495	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+H+NH4"	19.041099
"1480005"	156.5889495	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H+NH4"	19.041099
"393216"	611.262818	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+Na"	22.989218
"754356"	905.399618	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+Na"	22.989218
"1608878"	317.126018	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Na"	22.989218
"318914"	306.135047	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+H+Na"	23.996494
"717897"	453.203447	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+H+Na"	23.996494
"1473543"	159.066647	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H+Na"	23.996494
"1062778"	106.38019	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2H+Na"	25.00377
"1261173"	327.170286	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+CH3OH+H"	33.033486
"379745"	627.236758	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+K"	38.963158
"740742"	921.373558	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+K"	38.963158
"1546076"	333.099958	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+K"	38.963158
"304345"	314.122017	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+H+K"	39.970434
"694576"	461.190417	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+H+K"	39.970434
"1450953"	167.053617	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H+K"	39.970434
"242470"	630.307426	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+ACN+H"	42.033826
"1217371"	336.170626	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+ACN+H"	42.033826
"1201253"	168.588951	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+ACN+2H"	43.041102
"195218"	633.24476	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+2Na-H"	44.97116
"635870"	927.38156	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+2Na-H"	44.97116
"1138285"	339.10796	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2Na-H"	44.97116
"181578"	317.126018	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+2Na"	45.978436
"617856"	464.194418	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+2Na"	45.978436
"1120270"	170.057618	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2Na"	45.978436
"1401606"	113.707504	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H+2Na"	46.985712
"1431530"	341.149546	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H+HCOOH"	47.012746
"220982"	322.15904	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+3H2O+2H"	56.04448
"1510020"	355.20159	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+IsoProp+H"	61.06479
"409458"	325.112988	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+Na+K"	61.952376
"773256"	472.181388	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+Na+K"	61.952376
"1669586"	178.044588	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Na+K"	61.952376
"254284"	652.289368	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+ACN+Na"	64.015768
"1226625"	358.152568	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+ACN+Na"	64.015768
"1719893"	358.176093	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+NH4+HCOOH"	64.039293
"1192916"	121.034818	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+3Na"	68.967654
"1661715"	363.131488	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Na+HCOOH"	68.994688
"168577"	665.19264	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+2K-H"	76.91904
"608137"	959.32944	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+2K-H"	76.91904
"1094835"	371.05584	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2K-H"	76.91904
"152745"	333.099958	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"2M+2K"	77.926316
"593399"	480.168358	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"3M+2K"	77.926316
"1082041"	186.031558	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2K"	77.926316
"1113065"	373.070392	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2K+H"	78.933592
"1347503"	373.158007	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+DMSO+H"	79.021207
"1019192"	377.197176	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2ACN+H"	83.060376
"1534159"	378.190808	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+IsoProp+Na+H"	84.054008
"1002795"	189.102226	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+2ACN+2H"	84.067652
"1600579"	379.105428	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+K+HCOOH"	84.968628
"1427332"	409.136938	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+H+CF3COOH"	115.000138
"1160901"	209.615501	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+3ACN+2H"	125.094202
"1710449"	426.163485	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+NH4+CF3COOH"	132.026685
"1646100"	431.11888	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+Na+CF3COOH"	136.98208
"1574096"	447.09282	"C15193"	"2-3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-ylphenol"	"C18H18N2O2"	"294.1368"	"M+K+CF3COOH"	152.95602
"804461"	284.1776	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M"	0
"982370"	265.15921	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-H2O-H"	-19.01839
"66237"	188.444457333333	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M-3H"	-3.021828
"504336"	283.170324	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M-3H"	-3.021828
"885788"	93.7185906666667	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-3H"	-3.021828
"5457"	283.170324	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M-2H"	-2.014552
"442463"	425.259124	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M-2H"	-2.014552
"819533"	141.081524	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-2H"	-2.014552
"79031"	567.347924	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M-H"	-1.007276
"519201"	851.525524	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M-H"	-1.007276
"897249"	283.170324	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-H"	-1.007276
"47611"	584.374471	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M-2H+NH4"	16.019271
"487533"	868.552071	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M-2H+NH4"	16.019271
"864973"	300.196871	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-2H+NH4"	16.019271
"32384"	589.329866	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M-2H+Na"	20.974666
"473655"	873.507466	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M-2H+Na"	20.974666
"851339"	305.152266	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-2H+Na"	20.974666
"1622334"	305.152266	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Na-2H"	20.974666
"97042"	301.158663	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M-H+Cl"	33.962126
"537695"	443.247463	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M-H+Cl"	33.962126
"929745"	159.069863	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-H+Cl"	33.962126
"268793"	603.324602	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+Cl"	34.969402
"661828"	887.502202	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+Cl"	34.969402
"1285166"	319.147002	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Cl"	34.969402
"20071"	605.303806	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M-2H+K"	36.948606
"457443"	889.481406	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M-2H+K"	36.948606
"845092"	321.126206	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-2H+K"	36.948606
"1568947"	321.126206	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+K-2H"	36.948606
"956830"	329.175794	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-H+HCOOH"	44.998194
"375044"	613.353401	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+HCOOH-H"	44.998201
"359906"	627.369051	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+Hac-H"	59.013851
"1507280"	343.191451	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Hac-H"	59.013851
"971657"	351.157751	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-H+NaCOOH"	66.980151
"125306"	319.147002	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+2Cl"	69.938804
"560123"	461.235802	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+2Cl"	69.938804
"1035362"	177.058202	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2Cl"	69.938804
"1249593"	363.096485	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Br"	78.918885
"1316414"	365.152472	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Cl+HCOOH"	80.974872
"1328443"	387.134429	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Cl+NaCOOH"	102.956829
"913669"	397.163186	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M-H+CF3COOH"	112.985586
"1293294"	433.139864	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Cl+CF3COOH"	148.962264
"1369996"	249.164924	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H-2H2O"	-35.012676
"1384211"	267.1749	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H-H2O"	-17.0027
"284258"	569.362476	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+H"	1.007276
"677780"	853.540076	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+H"	1.007276
"1357047"	285.184876	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H"	1.007276
"133222"	285.184876	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+2H"	2.014552
"574971"	427.273676	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+2H"	2.014552
"1043773"	143.096076	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2H"	2.014552
"218609"	190.459009333333	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+3H"	3.021828
"658528"	285.184876	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+3H"	3.021828
"1178376"	95.7331426666667	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+3H"	3.021828
"431545"	586.389023	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+NH4"	18.033823
"788166"	870.566623	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+NH4"	18.033823
"1692154"	302.211423	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+NH4"	18.033823
"340432"	293.6981495	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+H+NH4"	19.041099
"728479"	435.7869495	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+H+NH4"	19.041099
"1483395"	151.6093495	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H+NH4"	19.041099
"393815"	591.344418	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+Na"	22.989218
"754929"	875.522018	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+Na"	22.989218
"1605708"	307.166818	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Na"	22.989218
"320117"	296.175847	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+H+Na"	23.996494
"714727"	438.264647	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+H+Na"	23.996494
"1474017"	154.087047	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H+Na"	23.996494
"1062888"	103.060456666667	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2H+Na"	25.00377
"1261283"	317.211086	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+CH3OH+H"	33.033486
"379856"	607.318358	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+K"	38.963158
"741216"	891.495958	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+K"	38.963158
"1545092"	323.140758	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+K"	38.963158
"302633"	304.162817	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+H+K"	39.970434
"694686"	446.251617	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+H+K"	39.970434
"1449239"	162.074017	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H+K"	39.970434
"239300"	610.389026	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+ACN+H"	42.033826
"1218574"	326.211426	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+ACN+H"	42.033826
"1201363"	163.609351	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+ACN+2H"	43.041102
"195328"	613.32636	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+2Na-H"	44.97116
"637073"	897.50396	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+2Na-H"	44.97116
"1136571"	329.14876	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2Na-H"	44.97116
"180594"	307.166818	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+2Na"	45.978436
"617966"	449.255618	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+2Na"	45.978436
"1120380"	165.078018	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2Na"	45.978436
"1402080"	110.387770666667	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H+2Na"	46.985712
"1431640"	331.190346	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H+HCOOH"	47.012746
"221093"	312.19984	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+3H2O+2H"	56.04448
"1510859"	345.24239	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+IsoProp+H"	61.06479
"410175"	315.153788	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+Na+K"	61.952376
"771906"	457.242588	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+Na+K"	61.952376
"1667872"	173.064988	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Na+K"	61.952376
"253296"	632.370968	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+ACN+Na"	64.015768
"1226735"	348.193368	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+ACN+Na"	64.015768
"1718910"	348.216893	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+NH4+HCOOH"	64.039293
"1193392"	117.715084666667	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+3Na"	68.967654
"1664743"	353.172288	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Na+HCOOH"	68.994688
"168688"	645.27424	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+2K-H"	76.91904
"609342"	929.45184	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+2K-H"	76.91904
"1096038"	361.09664	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2K-H"	76.91904
"153948"	323.140758	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"2M+2K"	77.926316
"592417"	465.229558	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"3M+2K"	77.926316
"1083003"	181.051958	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2K"	77.926316
"1114026"	363.111192	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2K+H"	78.933592
"1346520"	363.198807	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+DMSO+H"	79.021207
"1018330"	367.237976	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2ACN+H"	83.060376
"1535362"	368.231608	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+IsoProp+Na+H"	84.054008
"1001811"	184.122626	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+2ACN+2H"	84.067652
"1599597"	369.146228	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+K+HCOOH"	84.968628
"1428172"	399.177738	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+H+CF3COOH"	115.000138
"1160647"	204.635901	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+3ACN+2H"	125.094202
"1710559"	416.204285	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+NH4+CF3COOH"	132.026685
"1646210"	421.15968	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+Na+CF3COOH"	136.98208
"1574570"	437.13362	"C15194"	"Androsta-49(11)-diene-317-dione;9(11)-Dehydroandrostenedione"	"C19H24O2"	"284.1776"	"M+K+CF3COOH"	152.95602
"803478"	307.1208	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M"	0
"979200"	288.10241	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-H2O-H"	-19.01839
"64161"	203.739924	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M-3H"	-3.021828
"502944"	306.113524	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M-3H"	-3.021828
"885898"	101.366324	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-3H"	-3.021828
"5567"	306.113524	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M-2H"	-2.014552
"441845"	459.673924	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M-2H"	-2.014552
"818550"	152.553124	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-2H"	-2.014552
"79144"	613.234324	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M-H"	-1.007276
"519921"	920.355124	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M-H"	-1.007276
"896994"	306.113524	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-H"	-1.007276
"47722"	630.260871	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M-2H+NH4"	16.019271
"487322"	937.381671	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M-2H+NH4"	16.019271
"864473"	323.140071	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-2H+NH4"	16.019271
"31891"	635.216266	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M-2H+Na"	20.974666
"473765"	942.337066	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M-2H+Na"	20.974666
"851815"	328.095466	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-2H+Na"	20.974666
"1621351"	328.095466	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Na-2H"	20.974666
"95694"	324.101863	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M-H+Cl"	33.962126
"539627"	477.662263	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M-H+Cl"	33.962126
"929124"	170.541463	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-H+Cl"	33.962126
"269511"	649.211002	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+Cl"	34.969402
"661938"	956.331802	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+Cl"	34.969402
"1281996"	342.090202	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Cl"	34.969402
"20181"	651.190206	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M-2H+K"	36.948606
"458646"	958.311006	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M-2H+K"	36.948606
"845202"	344.069406	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-2H+K"	36.948606
"1570878"	344.069406	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+K-2H"	36.948606
"958435"	352.118994	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-H+HCOOH"	44.998194
"372601"	659.239801	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+HCOOH-H"	44.998201
"359037"	673.255451	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+Hac-H"	59.013851
"1505316"	366.134651	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Hac-H"	59.013851
"973833"	374.100951	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-H+NaCOOH"	66.980151
"124317"	342.090202	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+2Cl"	69.938804
"556953"	495.650602	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+2Cl"	69.938804
"1036079"	188.529802	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2Cl"	69.938804
"1255415"	386.039685	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Br"	78.918885
"1315430"	388.095672	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Cl+HCOOH"	80.974872
"1329647"	410.077629	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Cl+NaCOOH"	102.956829
"914144"	420.106386	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M-H+CF3COOH"	112.985586
"1291946"	456.083064	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Cl+CF3COOH"	148.962264
"1370104"	272.108124	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H-2H2O"	-35.012676
"1383955"	290.1181	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H-H2O"	-17.0027
"283395"	615.248876	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+H"	1.007276
"680805"	922.369676	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+H"	1.007276
"1357157"	308.128076	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H"	1.007276
"134426"	308.128076	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+2H"	2.014552
"575081"	461.688476	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+2H"	2.014552
"1041695"	154.567676	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2H"	2.014552
"214703"	205.754476	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+3H"	3.021828
"655358"	308.128076	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+3H"	3.021828
"1174940"	103.380876	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+3H"	3.021828
"430562"	632.275423	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+NH4"	18.033823
"790462"	939.396223	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+NH4"	18.033823
"1688984"	325.154623	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+NH4"	18.033823
"336167"	316.6413495	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+H+NH4"	19.041099
"726400"	470.2017495	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+H+NH4"	19.041099
"1480224"	163.0809495	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H+NH4"	19.041099
"393561"	637.230818	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+Na"	22.989218
"754915"	944.351618	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+Na"	22.989218
"1606911"	330.110018	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Na"	22.989218
"320227"	319.119047	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+H+Na"	23.996494
"714837"	472.679447	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+H+Na"	23.996494
"1474856"	165.558647	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H+Na"	23.996494
"1060809"	110.70819	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2H+Na"	25.00377
"1261393"	340.154286	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+CH3OH+H"	33.033486
"378873"	653.204758	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+K"	38.963158
"741326"	960.325558	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+K"	38.963158
"1546296"	346.083958	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+K"	38.963158
"302375"	327.106017	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+H+K"	39.970434
"694068"	480.666417	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+H+K"	39.970434
"1448985"	173.545617	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H+K"	39.970434
"241596"	656.275426	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+ACN+H"	42.033826
"1219777"	349.154626	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+ACN+H"	42.033826
"1200380"	175.080951	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+ACN+2H"	43.041102
"196531"	659.21276	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+2Na-H"	44.97116
"636090"	966.33356	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+2Na-H"	44.97116
"1135589"	352.09196	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2Na-H"	44.97116
"180703"	330.110018	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+2Na"	45.978436
"618076"	483.670418	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+2Na"	45.978436
"1116594"	176.549618	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2Na"	45.978436
"1405106"	118.035504	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H+2Na"	46.985712
"1432848"	354.133546	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H+HCOOH"	47.012746
"222907"	335.14304	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+3H2O+2H"	56.04448
"1512062"	368.18559	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+IsoProp+H"	61.06479
"410651"	338.096988	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+Na+K"	61.952376
"772010"	491.657388	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+Na+K"	61.952376
"1667615"	184.536588	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Na+K"	61.952376
"252314"	678.257368	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+ACN+Na"	64.015768
"1227575"	371.136568	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+ACN+Na"	64.015768
"1714638"	371.160093	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+NH4+HCOOH"	64.039293
"1193382"	125.362818	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+3Na"	68.967654
"1664731"	376.115488	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Na+HCOOH"	68.994688
"168797"	691.16064	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+2K-H"	76.91904
"609089"	998.28144	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+2K-H"	76.91904
"1097243"	384.03984	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2K-H"	76.91904
"155883"	346.083958	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"2M+2K"	77.926316
"595566"	499.644358	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"3M+2K"	77.926316
"1083113"	192.523558	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2K"	77.926316
"1114990"	386.054392	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2K+H"	78.933592
"1350157"	386.142007	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+DMSO+H"	79.021207
"1020265"	390.181176	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2ACN+H"	83.060376
"1538511"	391.174808	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+IsoProp+Na+H"	84.054008
"1003016"	195.594226	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+2ACN+2H"	84.067652
"1600801"	392.089428	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+K+HCOOH"	84.968628
"1429011"	422.120938	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+H+CF3COOH"	115.000138
"1161487"	216.107501	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+3ACN+2H"	125.094202
"1709576"	439.147485	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+NH4+CF3COOH"	132.026685
"1648507"	444.10288	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+Na+CF3COOH"	136.98208
"1574315"	460.07682	"C15195"	"LY 294002;2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one"	"C19H17NO3"	"307.1208"	"M+K+CF3COOH"	152.95602
"802859"	228.0786	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M"	0
"976394"	209.06021	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"62991"	151.045124	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"503296"	227.071324	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"883821"	75.018924	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"1669"	227.071324	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"441588"	341.110624	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"817563"	113.032024	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"79134"	455.149924	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"520394"	683.228524	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"895918"	227.071324	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"47585"	472.176471	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"487207"	700.255071	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"864381"	244.097871	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"31579"	477.131866	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"471767"	705.210466	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"850102"	249.053266	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1621825"	249.053266	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"96532"	245.059663	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"537551"	359.098963	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"928513"	131.020363	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"268528"	491.126602	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"663140"	719.205202	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1282106"	263.048002	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"21385"	493.105806	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"458756"	721.184406	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"846405"	265.027206	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1570624"	265.027206	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"956321"	273.076794	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"372347"	501.155401	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"358782"	515.171051	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1507614"	287.092451	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"973214"	295.058751	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"122241"	263.048002	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"560343"	377.087302	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1036311"	149.008702	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1256377"	306.997485	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1316634"	309.053472	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1326477"	331.035429	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"912797"	341.064186	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1292421"	377.040864	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1368394"	193.065924	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1383335"	211.0759	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"282935"	457.164476	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"677636"	685.243076	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1353987"	229.085876	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"134536"	229.085876	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"571911"	343.125176	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1045086"	115.046576	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"212988"	153.059676	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"654739"	229.085876	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1173227"	77.033476	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"430671"	474.191023	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"791664"	702.269623	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1685814"	246.112423	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"336277"	237.5991495	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"725782"	351.6384495	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1481427"	123.5598495	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"396830"	479.146418	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"754268"	707.225018	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1605197"	251.067818	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"320701"	240.076847	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"712760"	354.116147	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1473873"	126.037547	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1060919"	84.36079	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1261503"	261.112086	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"378983"	495.120358	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"740338"	723.198958	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1543123"	267.041758	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"302121"	248.063817	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"692354"	362.103117	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1447635"	134.024517	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"238789"	498.191026	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1215513"	270.112426	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1198666"	135.559851	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"196641"	501.12836	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"634014"	729.20696	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1133146"	273.04976	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"173155"	251.067818	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"613931"	365.107118	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1117313"	137.028518	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1401936"	91.688104	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1431375"	275.091346	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"220948"	256.10084	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1509620"	289.14339	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"410397"	259.054788	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"770496"	373.094088	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1665789"	145.015488	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"251765"	520.172968	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1227319"	292.094368	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1713898"	292.117893	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1192761"	99.015418	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1664963"	297.073288	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"171094"	533.07624	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"608469"	761.15484	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1099178"	304.99764	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"156953"	267.041758	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"595797"	381.081058	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1082614"	153.002458	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1114855"	307.012192	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1350022"	307.099807	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1019524"	311.138976	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1536676"	312.132608	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"1004584"	156.073126	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1600787"	313.047228	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1428879"	343.078738	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1162082"	176.586401	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1710779"	360.105285	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1648617"	365.06068	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1572603"	381.03462	"C15196"	"34-Dihydro-89-dihydroxy-1(2H)-anthracenone"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"804792"	340.2515	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M"	0
"976504"	321.23311	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H2O-H"	-19.01839
"63160"	225.827057333333	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-3H"	-3.021828
"503245"	339.244224	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-3H"	-3.021828
"883931"	112.409890666667	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-3H"	-3.021828
"2508"	339.244224	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H"	-2.014552
"443157"	509.369974	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H"	-2.014552
"819127"	169.118474	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H"	-2.014552
"79852"	679.495724	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-H"	-1.007276
"520505"	1019.747224	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-H"	-1.007276
"896360"	339.244224	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H"	-1.007276
"47696"	696.522271	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H+NH4"	16.019271
"487616"	1036.773771	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H+NH4"	16.019271
"864816"	356.270771	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H+NH4"	16.019271
"31869"	701.477666	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H+Na"	20.974666
"473136"	1041.729166	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H+Na"	20.974666
"851669"	361.226166	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H+Na"	20.974666
"1622663"	361.226166	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na-2H"	20.974666
"98099"	357.232563	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-H+Cl"	33.962126
"537661"	527.358313	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-H+Cl"	33.962126
"929352"	187.106813	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+Cl"	33.962126
"269002"	715.472402	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Cl"	34.969402
"662156"	1055.723902	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+Cl"	34.969402
"1276013"	375.220902	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl"	34.969402
"16629"	717.451606	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M-2H+K"	36.948606
"458866"	1057.703106	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M-2H+K"	36.948606
"846151"	377.200106	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-2H+K"	36.948606
"1570493"	377.200106	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K-2H"	36.948606
"957445"	385.249694	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+HCOOH"	44.998194
"374280"	725.501201	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+HCOOH-H"	44.998201
"359986"	739.516851	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Hac-H"	59.013851
"1507483"	399.265351	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Hac-H"	59.013851
"973934"	407.231651	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+NaCOOH"	66.980151
"124174"	375.220902	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2Cl"	69.938804
"563368"	545.346652	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2Cl"	69.938804
"1036058"	205.095152	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2Cl"	69.938804
"1254297"	419.170385	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Br"	78.918885
"1316744"	421.226372	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl+HCOOH"	80.974872
"1326586"	443.208329	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl+NaCOOH"	102.956829
"914001"	453.237086	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M-H+CF3COOH"	112.985586
"1291074"	489.213764	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Cl+CF3COOH"	148.962264
"1368140"	305.238824	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H-2H2O"	-35.012676
"1383812"	323.2488	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H-H2O"	-17.0027
"283495"	681.510276	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H"	1.007276
"681026"	1021.761776	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H"	1.007276
"1358470"	341.258776	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H"	1.007276
"135739"	341.258776	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2H"	2.014552
"569834"	511.384526	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2H"	2.014552
"1043009"	171.133026	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2H"	2.014552
"213099"	227.841609333333	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+3H"	3.021828
"654849"	341.258776	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+3H"	3.021828
"1171879"	114.424442666667	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+3H"	3.021828
"431874"	698.536823	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+NH4"	18.033823
"789588"	1038.788323	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+NH4"	18.033823
"1685924"	358.285323	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+NH4"	18.033823
"333470"	349.7720495	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H+NH4"	19.041099
"726255"	519.8977995	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H+NH4"	19.041099
"1478985"	179.6462995	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+NH4"	19.041099
"396940"	703.492218	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Na"	22.989218
"755016"	1043.743718	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+Na"	22.989218
"1603119"	363.240718	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na"	22.989218
"317531"	352.249747	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H+Na"	23.996494
"712870"	522.375497	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H+Na"	23.996494
"1463044"	182.123997	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+Na"	23.996494
"1054103"	121.751756666667	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2H+Na"	25.00377
"1258332"	373.284986	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+CH3OH+H"	33.033486
"377633"	719.466158	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+K"	38.963158
"738828"	1059.717658	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+K"	38.963158
"1540085"	379.214658	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K"	38.963158
"299679"	360.236717	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+H+K"	39.970434
"693195"	530.362467	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+H+K"	39.970434
"1447018"	190.110967	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+K"	39.970434
"237443"	722.536826	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+ACN+H"	42.033826
"1215623"	382.285326	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+ACN+H"	42.033826
"1199506"	191.646301	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+ACN+2H"	43.041102
"196751"	725.47416	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2Na-H"	44.97116
"640684"	1065.72566	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2Na-H"	44.97116
"1135445"	385.22266	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2Na-H"	44.97116
"173872"	363.240718	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2Na"	45.978436
"613676"	533.366468	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2Na"	45.978436
"1117788"	193.114968	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2Na"	45.978436
"1403138"	129.079070666667	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+2Na"	46.985712
"1433068"	387.264246	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+HCOOH"	47.012746
"220693"	368.27374	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+3H2O+2H"	56.04448
"1509366"	401.31629	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+IsoProp+H"	61.06479
"410506"	371.227688	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+Na+K"	61.952376
"771862"	541.353438	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+Na+K"	61.952376
"1667099"	201.101938	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na+K"	61.952376
"252527"	744.518768	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+ACN+Na"	64.015768
"1226698"	404.267268	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+ACN+Na"	64.015768
"1714855"	404.290793	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+NH4+HCOOH"	64.039293
"1193356"	136.406384666667	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+3Na"	68.967654
"1664342"	409.246188	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na+HCOOH"	68.994688
"169018"	757.42204	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2K-H"	76.91904
"607485"	1097.67354	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2K-H"	76.91904
"1098924"	417.17054	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2K-H"	76.91904
"157068"	379.214658	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"2M+2K"	77.926316
"597033"	549.340408	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"3M+2K"	77.926316
"1081631"	209.088908	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2K"	77.926316
"1114843"	419.185092	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2K+H"	78.933592
"1349038"	419.272707	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+DMSO+H"	79.021207
"1019754"	423.311876	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2ACN+H"	83.060376
"1535692"	424.305508	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+IsoProp+Na+H"	84.054008
"1003966"	212.159576	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+2ACN+2H"	84.067652
"1601018"	425.220128	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K+HCOOH"	84.968628
"1428866"	455.251638	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+H+CF3COOH"	115.000138
"1158060"	232.672851	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+3ACN+2H"	125.094202
"1708703"	472.278185	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+NH4+CF3COOH"	132.026685
"1645447"	477.23358	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+Na+CF3COOH"	136.98208
"1573806"	493.20752	"C15197"	"17beta-Pyrazol-3-ylandrost-5-en-3beta-ol"	"C22H32N2O"	"340.2515"	"M+K+CF3COOH"	152.95602
"811463"	320.2715	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M"	0
"977343"	301.25311	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-H2O-H"	-19.01839
"68865"	212.507057333333	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M-3H"	-3.021828
"503521"	319.264224	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M-3H"	-3.021828
"884041"	105.749890666667	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-3H"	-3.021828
"3711"	319.264224	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H"	-2.014552
"442176"	479.399974	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H"	-2.014552
"818516"	159.128474	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-2H"	-2.014552
"80327"	639.535724	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M-H"	-1.007276
"520983"	959.807224	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M-H"	-1.007276
"896715"	319.264224	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-H"	-1.007276
"48784"	656.562271	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+NH4"	16.019271
"488828"	976.833771	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+NH4"	16.019271
"865417"	336.290771	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+NH4"	16.019271
"35142"	661.517666	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+Na"	20.974666
"473975"	981.789166	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+Na"	20.974666
"850321"	341.246166	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+Na"	20.974666
"1623138"	341.246166	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Na-2H"	20.974666
"98211"	337.252563	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M-H+Cl"	33.962126
"538134"	497.388313	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M-H+Cl"	33.962126
"928122"	177.116813	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-H+Cl"	33.962126
"268753"	675.512402	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+Cl"	34.969402
"663359"	995.783902	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+Cl"	34.969402
"1275032"	355.240902	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl"	34.969402
"18321"	677.491606	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M-2H+K"	36.948606
"456786"	997.763106	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M-2H+K"	36.948606
"847365"	357.220106	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-2H+K"	36.948606
"1570610"	357.220106	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+K-2H"	36.948606
"958043"	365.269694	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-H+HCOOH"	44.998194
"376745"	685.541201	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+HCOOH-H"	44.998201
"360593"	699.556851	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+Hac-H"	59.013851
"1508129"	379.285351	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Hac-H"	59.013851
"973435"	387.251651	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-H+NaCOOH"	66.980151
"124772"	355.240902	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Cl"	69.938804
"556190"	515.376652	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Cl"	69.938804
"1036939"	195.105152	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2Cl"	69.938804
"1255866"	399.190385	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Br"	78.918885
"1317949"	401.246372	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+HCOOH"	80.974872
"1326696"	423.228329	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+NaCOOH"	102.956829
"921037"	433.257086	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M-H+CF3COOH"	112.985586
"1290455"	469.233764	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Cl+CF3COOH"	148.962264
"1369343"	285.258824	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H-2H2O"	-35.012676
"1383922"	303.2688	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H-H2O"	-17.0027
"283195"	641.550276	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+H"	1.007276
"678950"	961.821776	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+H"	1.007276
"1356393"	321.278776	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H"	1.007276
"135849"	321.278776	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+2H"	2.014552
"573220"	481.414526	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+2H"	2.014552
"1040931"	161.143026	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2H"	2.014552
"208831"	214.521609333333	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H"	3.021828
"656052"	321.278776	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+3H"	3.021828
"1171989"	107.764442666667	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+3H"	3.021828
"434900"	658.576823	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+NH4"	18.033823
"792979"	978.848323	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+NH4"	18.033823
"1688221"	338.305323	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4"	18.033823
"332851"	329.7920495	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+NH4"	19.041099
"727095"	489.9277995	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+NH4"	19.041099
"1479458"	169.6562995	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H+NH4"	19.041099
"403610"	663.532218	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na"	22.989218
"762420"	983.803718	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na"	22.989218
"1606144"	343.260718	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Na"	22.989218
"319465"	332.269747	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+Na"	23.996494
"712980"	492.405497	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+Na"	23.996494
"1462301"	172.133997	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H+Na"	23.996494
"1053849"	115.091756666667	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2H+Na"	25.00377
"1257835"	353.304986	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+CH3OH+H"	33.033486
"379203"	679.506158	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+K"	38.963158
"739229"	999.777658	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+K"	38.963158
"1540106"	359.234658	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+K"	38.963158
"299427"	340.256717	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+H+K"	39.970434
"693670"	500.392467	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+H+K"	39.970434
"1448587"	180.120967	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H+K"	39.970434
"238281"	682.576826	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+H"	42.033826
"1217919"	362.305326	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+H"	42.033826
"1200708"	181.656301	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+2H"	43.041102
"197954"	685.51416	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na-H"	44.97116
"636421"	1005.78566	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na-H"	44.97116
"1138836"	365.24266	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na-H"	44.97116
"177753"	343.260718	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+2Na"	45.978436
"620594"	503.396468	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+2Na"	45.978436
"1118631"	183.124968	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2Na"	45.978436
"1403249"	122.419070666667	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H+2Na"	46.985712
"1431234"	367.284246	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H+HCOOH"	47.012746
"222144"	348.29374	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+3H2O+2H"	56.04448
"1508582"	381.33629	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+H"	61.06479
"409890"	351.247688	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+Na+K"	61.952376
"771614"	511.383438	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+Na+K"	61.952376
"1666164"	191.111938	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+K"	61.952376
"253004"	704.558768	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+ACN+Na"	64.015768
"1226449"	384.287268	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+ACN+Na"	64.015768
"1714971"	384.310793	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+HCOOH"	64.039293
"1193104"	129.746384666667	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+3Na"	68.967654
"1662997"	389.266188	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+HCOOH"	68.994688
"170587"	717.46204	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K-H"	76.91904
"606501"	1037.73354	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K-H"	76.91904
"1097453"	397.19054	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2K-H"	76.91904
"156091"	359.234658	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"2M+2K"	77.926316
"595896"	519.370408	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"3M+2K"	77.926316
"1080647"	199.098908	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2K"	77.926316
"1114222"	399.205092	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2K+H"	78.933592
"1350245"	399.292707	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+DMSO+H"	79.021207
"1017680"	403.331876	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+H"	83.060376
"1539448"	404.325508	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+Na+H"	84.054008
"1005167"	202.169576	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+2ACN+2H"	84.067652
"1601129"	405.240128	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+K+HCOOH"	84.968628
"1428610"	435.271638	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+H+CF3COOH"	115.000138
"1160355"	222.682851	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+3ACN+2H"	125.094202
"1706626"	452.298185	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+NH4+CF3COOH"	132.026685
"1646650"	457.25358	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+Na+CF3COOH"	136.98208
"1572459"	473.22752	"C15198"	"3-Ethyl-5alpha-androstane-3alpha17beta-diol"	"C21H36O2"	"320.2715"	"M+K+CF3COOH"	152.95602
"811573"	316.2402	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M"	0
"979641"	297.22181	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"70069"	209.819524	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"503309"	315.232924	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"885244"	104.406124	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"4914"	315.232924	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"443379"	473.353024	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"821179"	157.112824	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"82992"	631.473124	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"520119"	947.713324	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"897799"	315.232924	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"48407"	648.499671	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"489550"	964.739871	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"866499"	332.259471	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"32453"	653.455066	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"478099"	969.695266	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"857726"	337.214866	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1622883"	337.214866	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"100508"	333.221263	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"538973"	491.341363	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"928963"	175.101163	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"273235"	667.449802	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"665657"	983.690002	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1276964"	351.209602	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"18064"	669.429006	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"459083"	985.669206	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"847108"	353.188806	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1571195"	353.188806	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"958208"	361.238394	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"376943"	677.478601	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"361065"	691.494251	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1508392"	375.254051	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"974196"	383.220351	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"125533"	351.209602	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"562861"	509.329702	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1036969"	193.089502	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1256707"	395.159085	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1319032"	397.215072	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1326806"	419.197029	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"918960"	429.225786	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1293481"	465.202464	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1369818"	281.227524	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1385855"	299.2375	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"283835"	633.487676	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"680153"	949.727876	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1358690"	317.247476	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"134865"	317.247476	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"576611"	475.367576	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1039948"	159.127376	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"207479"	211.834076	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"650689"	317.247476	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1169903"	106.420676	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"429170"	650.514223	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"793089"	966.754423	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1688331"	334.274023	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"332233"	325.7607495	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"726476"	483.8808495	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1478473"	167.6406495	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"400439"	655.469618	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"762530"	971.709818	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1606254"	339.229418	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"323948"	328.238447	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"713091"	486.358547	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1466545"	170.118347	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1056146"	113.74799	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1258551"	349.273686	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"380409"	671.443558	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"739460"	987.683758	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1541269"	355.203358	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"300263"	336.225417	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"693778"	494.345517	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1446143"	178.105317	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"239120"	674.514226	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1219122"	358.274026	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1203004"	179.640651	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"195877"	677.45156	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"638717"	993.69176	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1138946"	361.21136	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"177862"	339.229418	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"615236"	497.349518	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1119834"	181.109318	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1399466"	121.075304	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1434382"	363.252946	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"225170"	344.26244	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1509345"	377.30499	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"410000"	347.216388	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"771360"	505.336488	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1667693"	189.096288	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"252628"	696.496168	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1227652"	380.255968	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1718361"	380.279493	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1190663"	128.402618	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1661649"	385.234888	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"168876"	709.39944	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"605519"	1025.63964	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1094404"	393.15924	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"154499"	355.203358	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"591875"	513.323458	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1081857"	197.083258	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1112877"	395.173792	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1349504"	395.261407	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1016696"	399.300576	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1537006"	400.294208	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"1004913"	200.153926	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1600147"	401.208828	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1427992"	431.240338	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1160466"	220.667201	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1706736"	448.266885	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1645667"	453.22228	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1572569"	469.19622	"C15199"	"3-Ethynyl-5alpha-androstane-3beta17beta-diol"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"804028"	300.1725	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M"	0
"975740"	281.15411	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"63614"	199.107724	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"504267"	299.165224	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"881707"	99.050224	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"5024"	299.165224	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"443489"	449.251474	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"819832"	149.078974	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"80916"	599.337724	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"521201"	899.510224	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"896933"	299.165224	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"48758"	616.364271	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"487709"	916.536771	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"866121"	316.191771	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"32563"	621.319666	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"472371"	921.492166	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"850542"	321.147166	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1622994"	321.147166	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"97334"	317.153563	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"538354"	467.239813	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"928952"	167.067313	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"276624"	635.314402	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"669046"	935.486902	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1278166"	335.141902	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"18903"	637.293606	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"459557"	937.466106	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"847946"	337.121106	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1570465"	337.121106	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"957742"	345.170694	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"376803"	645.343201	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"360691"	659.358851	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1507701"	359.186351	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"973902"	367.152651	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"125691"	335.141902	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"559691"	485.228152	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1036946"	185.055652	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1256614"	379.091385	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1317075"	381.147372	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1326916"	403.129329	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"916883"	413.158086	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1290309"	449.134764	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1368834"	265.159824	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1384871"	283.1698	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"284556"	601.352276	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"681356"	901.524776	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1357706"	301.179776	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"133881"	301.179776	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"575628"	451.266026	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1041151"	151.093526	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"206860"	201.122276	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"650799"	301.179776	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1168922"	101.064776	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"431102"	618.378823	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"792105"	918.551323	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1686253"	318.206323	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"332342"	309.6930495	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"726221"	459.7792995	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1480404"	159.6067995	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"399455"	623.334218	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"756075"	923.506718	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1607457"	323.161718	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"324058"	312.170747	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"713201"	462.256997	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1465927"	162.084497	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1055892"	108.39209	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1261942"	333.205986	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"380519"	639.308158	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"740421"	939.480658	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1543928"	339.135658	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"301833"	320.157717	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"693889"	470.243967	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1448075"	170.071467	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"239229"	642.378826	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1220325"	342.206326	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1199834"	171.606801	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"195987"	645.31616	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"636639"	945.48866	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1135776"	345.14366	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"176879"	323.161718	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"613401"	473.247968	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1119944"	173.075468	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1399821"	115.719404	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1434491"	347.185246	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"224186"	328.19474	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1511520"	361.23729	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"411932"	331.148688	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"771471"	481.234938	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1667803"	181.062438	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"254314"	664.360768	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1228490"	364.188268	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1717378"	364.211793	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1190764"	123.046718	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1664182"	369.167188	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"172137"	677.26404	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"611823"	977.43654	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1095610"	377.09154	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"154608"	339.135658	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"594902"	489.221908	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1081600"	189.049408	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1113713"	379.106092	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1349734"	379.193707	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1017899"	383.232876	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1538576"	384.226508	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"1004902"	192.120076	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1599529"	385.141128	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1428102"	415.172638	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1160576"	212.633351	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1706846"	432.199185	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1645777"	437.15458	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1573772"	453.12852	"C15200"	"9beta11beta-Epoxyandrost-4-ene-317-dione"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"810700"	278.2246	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M"	0
"982048"	259.20621	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-H2O-H"	-19.01839
"63603"	184.475790666667	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M-3H"	-3.021828
"503157"	277.217324	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M-3H"	-3.021828
"885464"	91.7342573333333	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-3H"	-3.021828
"7320"	277.217324	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M-2H"	-2.014552
"442140"	416.329624	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M-2H"	-2.014552
"819578"	138.105024	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-2H"	-2.014552
"79000"	555.441924	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M-H"	-1.007276
"519129"	833.666524	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M-H"	-1.007276
"896196"	277.217324	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-H"	-1.007276
"47240"	572.468471	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M-2H+NH4"	16.019271
"489405"	850.693071	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M-2H+NH4"	16.019271
"867207"	294.243871	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-2H+NH4"	16.019271
"33286"	577.423866	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M-2H+Na"	20.974666
"471543"	855.648466	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M-2H+Na"	20.974666
"848868"	299.199266	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-2H+Na"	20.974666
"1618602"	299.199266	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Na-2H"	20.974666
"96351"	295.205663	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M-H+Cl"	33.962126
"534477"	434.317963	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M-H+Cl"	33.962126
"929062"	156.093363	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-H+Cl"	33.962126
"275641"	591.418602	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+Cl"	34.969402
"670250"	869.643202	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+Cl"	34.969402
"1278279"	313.194002	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Cl"	34.969402
"17798"	593.397806	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M-2H+K"	36.948606
"457603"	871.622406	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M-2H+K"	36.948606
"848360"	315.173206	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-2H+K"	36.948606
"1571203"	315.173206	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+K-2H"	36.948606
"958472"	323.222794	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-H+HCOOH"	44.998194
"377104"	601.447401	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+HCOOH-H"	44.998201
"360924"	615.463051	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+Hac-H"	59.013851
"1508341"	337.238451	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Hac-H"	59.013851
"974189"	345.204751	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-H+NaCOOH"	66.980151
"125514"	313.194002	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+2Cl"	69.938804
"558708"	452.306302	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+2Cl"	69.938804
"1036619"	174.081702	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2Cl"	69.938804
"1256855"	357.143485	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Br"	78.918885
"1316092"	359.199472	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Cl+HCOOH"	80.974872
"1327026"	381.181429	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Cl+NaCOOH"	102.956829
"916993"	391.210186	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M-H+CF3COOH"	112.985586
"1289933"	427.186864	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Cl+CF3COOH"	148.962264
"1369674"	243.211924	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H-2H2O"	-35.012676
"1382870"	261.2219	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H-H2O"	-17.0027
"282861"	557.456476	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+H"	1.007276
"680373"	835.681076	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+H"	1.007276
"1356723"	279.231876	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H"	1.007276
"127787"	279.231876	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+2H"	2.014552
"568441"	418.344176	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+2H"	2.014552
"1040883"	140.119576	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2H"	2.014552
"213530"	186.490342666667	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+3H"	3.021828
"650909"	279.231876	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+3H"	3.021828
"1171218"	93.7488093333333	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+3H"	3.021828
"430117"	574.483023	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+NH4"	18.033823
"790392"	852.707623	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+NH4"	18.033823
"1686364"	296.258423	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+NH4"	18.033823
"333911"	287.7451495	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+H+NH4"	19.041099
"731436"	426.8574495	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+H+NH4"	19.041099
"1478691"	148.6328495	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H+NH4"	19.041099
"398472"	579.438418	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+Na"	22.989218
"760560"	857.663018	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+Na"	22.989218
"1609753"	301.213818	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Na"	22.989218
"324169"	290.222847	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+H+Na"	23.996494
"718779"	429.335147	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+H+Na"	23.996494
"1466037"	151.110547	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H+Na"	23.996494
"1060376"	101.076123333333	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2H+Na"	25.00377
"1262052"	311.258086	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+CH3OH+H"	33.033486
"385002"	595.412358	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+K"	38.963158
"747091"	873.636958	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+K"	38.963158
"1543309"	317.187758	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+K"	38.963158
"301215"	298.209817	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+H+K"	39.970434
"695460"	437.322117	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+H+K"	39.970434
"1446727"	159.097517	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H+K"	39.970434
"237153"	598.483026	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+ACN+H"	42.033826
"1220435"	320.258426	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+ACN+H"	42.033826
"1207235"	160.632851	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+ACN+2H"	43.041102
"199379"	601.42036	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+2Na-H"	44.97116
"641124"	879.64496	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+2Na-H"	44.97116
"1134793"	323.19576	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2Na-H"	44.97116
"175895"	301.213818	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+2Na"	45.978436
"615454"	440.326118	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+2Na"	45.978436
"1116527"	162.101518	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2Na"	45.978436
"1405765"	108.403437333333	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H+2Na"	46.985712
"1431803"	325.237346	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H+HCOOH"	47.012746
"225388"	306.24684	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+3H2O+2H"	56.04448
"1515638"	339.28939	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+IsoProp+H"	61.06479
"414232"	309.200788	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+Na+K"	61.952376
"774132"	448.313088	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+Na+K"	61.952376
"1666568"	170.088488	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Na+K"	61.952376
"252237"	620.464968	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+ACN+Na"	64.015768
"1235163"	342.240368	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+ACN+Na"	64.015768
"1717852"	342.263893	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+NH4+HCOOH"	64.039293
"1191967"	115.730751333333	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+3Na"	68.967654
"1665224"	347.219288	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Na+HCOOH"	68.994688
"172365"	633.36824	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+2K-H"	76.91904
"612054"	911.59284	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+2K-H"	76.91904
"1097177"	355.14364	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2K-H"	76.91904
"154357"	317.187758	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"2M+2K"	77.926316
"593189"	456.300058	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"3M+2K"	77.926316
"1081953"	178.075458	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2K"	77.926316
"1112002"	357.158192	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2K+H"	78.933592
"1348022"	357.245807	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+DMSO+H"	79.021207
"1018011"	361.284976	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2ACN+H"	83.060376
"1537229"	362.278608	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+IsoProp+Na+H"	84.054008
"1003680"	181.146126	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+2ACN+2H"	84.067652
"1600370"	363.193228	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+K+HCOOH"	84.968628
"1427123"	393.224738	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+H+CF3COOH"	115.000138
"1160328"	201.659401	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+3ACN+2H"	125.094202
"1711698"	410.251285	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+NH4+CF3COOH"	132.026685
"1648075"	415.20668	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+Na+CF3COOH"	136.98208
"1574976"	431.18062	"C15201"	"5beta-Estrane-3alpha17beta-diol;19-Nor-5beta-androstane-3alpha17beta-diol"	"C18H30O2"	"278.2246"	"M+K+CF3COOH"	152.95602
"802062"	204.0342	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M"	0
"974867"	185.01581	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-H2O-H"	-19.01839
"62854"	135.015524	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M-3H"	-3.021828
"502856"	203.026924	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M-3H"	-3.021828
"884481"	67.004124	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-3H"	-3.021828
"3058"	203.026924	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M-2H"	-2.014552
"440101"	305.044024	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M-2H"	-2.014552
"818959"	101.009824	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-2H"	-2.014552
"80042"	407.061124	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M-H"	-1.007276
"519602"	611.095324	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M-H"	-1.007276
"897764"	203.026924	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-H"	-1.007276
"49221"	424.087671	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M-2H+NH4"	16.019271
"491703"	628.121871	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M-2H+NH4"	16.019271
"868411"	220.053471	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-2H+NH4"	16.019271
"34122"	429.043066	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M-2H+Na"	20.974666
"472228"	633.077266	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M-2H+Na"	20.974666
"851858"	225.008866	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-2H+Na"	20.974666
"1621027"	225.008866	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Na-2H"	20.974666
"96464"	221.015263	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M-H+Cl"	33.962126
"534924"	323.032363	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M-H+Cl"	33.962126
"927387"	118.998163	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-H+Cl"	33.962126
"272472"	443.037802	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+Cl"	34.969402
"669267"	647.072002	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+Cl"	34.969402
"1278390"	239.003602	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Cl"	34.969402
"18759"	445.017006	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M-2H+K"	36.948606
"455888"	649.051206	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M-2H+K"	36.948606
"847679"	240.982806	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-2H+K"	36.948606
"1570936"	240.982806	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+K-2H"	36.948606
"957959"	249.032394	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-H+HCOOH"	44.998194
"376997"	453.066601	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+HCOOH-H"	44.998201
"361121"	467.082251	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+Hac-H"	59.013851
"1508163"	263.048051	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Hac-H"	59.013851
"974112"	271.014351	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-H+NaCOOH"	66.980151
"125652"	239.003602	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+2Cl"	69.938804
"562098"	341.020702	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+2Cl"	69.938804
"1036365"	136.986502	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2Cl"	69.938804
"1256916"	282.953085	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Br"	78.918885
"1315109"	285.009072	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Cl+HCOOH"	80.974872
"1323856"	306.991029	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Cl+NaCOOH"	102.956829
"916010"	317.019786	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M-H+CF3COOH"	112.985586
"1289070"	352.996464	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Cl+CF3COOH"	148.962264
"1373064"	169.021524	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H-2H2O"	-35.012676
"1386185"	187.0315	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H-H2O"	-17.0027
"283435"	409.075676	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+H"	1.007276
"679390"	613.109876	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+H"	1.007276
"1357927"	205.041476	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H"	1.007276
"129719"	205.041476	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+2H"	2.014552
"572560"	307.058576	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+2H"	2.014552
"1042452"	103.024376	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2H"	2.014552
"215827"	137.030076	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+3H"	3.021828
"649926"	205.041476	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+3H"	3.021828
"1169142"	69.018676	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+3H"	3.021828
"429134"	426.102223	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+NH4"	18.033823
"787216"	630.136423	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+NH4"	18.033823
"1686474"	222.068023	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+NH4"	18.033823
"334021"	213.5547495	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+H+NH4"	19.041099
"731546"	315.5718495	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+H+NH4"	19.041099
"1478437"	111.5376495	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H+NH4"	19.041099
"400769"	431.057618	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+Na"	22.989218
"756296"	635.091818	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+Na"	22.989218
"1608770"	227.023418	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Na"	22.989218
"316009"	216.032447	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+H+Na"	23.996494
"708916"	318.049547	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+H+Na"	23.996494
"1466148"	114.015347	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H+Na"	23.996494
"1064862"	76.34599	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2H+Na"	25.00377
"1258519"	237.067686	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+CH3OH+H"	33.033486
"385114"	447.031558	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+K"	38.963158
"745015"	651.065758	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+K"	38.963158
"1542326"	242.997358	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+K"	38.963158
"299868"	224.019417	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+H+K"	39.970434
"696663"	326.036517	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+H+K"	39.970434
"1446110"	122.002317	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H+K"	39.970434
"235927"	450.102226	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+ACN+H"	42.033826
"1220545"	246.068026	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+ACN+H"	42.033826
"1207709"	123.537651	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+ACN+2H"	43.041102
"194020"	453.03956	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+2Na-H"	44.97116
"634673"	657.07376	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+2Na-H"	44.97116
"1139270"	249.00536	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2Na-H"	44.97116
"181466"	227.023418	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+2Na"	45.978436
"621757"	329.040518	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+2Na"	45.978436
"1117241"	125.006318	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2Na"	45.978436
"1399669"	83.673304	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H+2Na"	46.985712
"1429997"	251.046946	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H+HCOOH"	47.012746
"220028"	232.05644	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+3H2O+2H"	56.04448
"1508470"	265.09899	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+IsoProp+H"	61.06479
"408976"	235.010388	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+Na+K"	61.952376
"770103"	337.027488	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+Na+K"	61.952376
"1665693"	132.993288	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Na+K"	61.952376
"251592"	472.084168	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+ACN+Na"	64.015768
"1226159"	268.049968	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+ACN+Na"	64.015768
"1712910"	268.073493	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+NH4+HCOOH"	64.039293
"1193901"	91.000618	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+3Na"	68.967654
"1665577"	273.028888	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Na+HCOOH"	68.994688
"172354"	484.98744	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+2K-H"	76.91904
"611309"	689.02164	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+2K-H"	76.91904
"1094739"	280.95324	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2K-H"	76.91904
"154829"	242.997358	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"2M+2K"	77.926316
"593299"	345.014458	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"3M+2K"	77.926316
"1079999"	140.980258	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2K"	77.926316
"1112841"	282.967792	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2K+H"	78.933592
"1349225"	283.055407	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+DMSO+H"	79.021207
"1017027"	287.094576	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2ACN+H"	83.060376
"1535154"	288.088208	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+IsoProp+Na+H"	84.054008
"1002695"	144.050926	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+2ACN+2H"	84.067652
"1598292"	289.002828	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+K+HCOOH"	84.968628
"1428327"	319.034338	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+H+CF3COOH"	115.000138
"1160802"	164.564201	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+3ACN+2H"	125.094202
"1712416"	336.060885	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+NH4+CF3COOH"	132.026685
"1647092"	341.01628	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+Na+CF3COOH"	136.98208
"1575086"	356.99022	"C15202"	"2-Chloro-4-biphenylol"	"C12H9ClO"	"204.0342"	"M+K+CF3COOH"	152.95602
"802172"	268.0736	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M"	0
"977893"	249.05521	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-H2O-H"	-19.01839
"63165"	177.708457333333	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M-3H"	-3.021828
"503039"	267.066324	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M-3H"	-3.021828
"883498"	88.3505906666667	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-3H"	-3.021828
"1710"	267.066324	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M-2H"	-2.014552
"440213"	401.103124	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M-2H"	-2.014552
"818340"	133.029524	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-2H"	-2.014552
"79054"	535.139924	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M-H"	-1.007276
"519099"	803.213524	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M-H"	-1.007276
"897872"	267.066324	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-H"	-1.007276
"48480"	552.166471	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M-2H+NH4"	16.019271
"491813"	820.240071	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M-2H+NH4"	16.019271
"867061"	284.092871	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-2H+NH4"	16.019271
"34598"	557.121866	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M-2H+Na"	20.974666
"472940"	825.195466	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M-2H+Na"	20.974666
"849042"	289.048266	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-2H+Na"	20.974666
"1620408"	289.048266	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Na-2H"	20.974666
"95480"	285.054663	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M-H+Cl"	33.962126
"535040"	419.091463	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M-H+Cl"	33.962126
"927820"	151.017863	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-H+Cl"	33.962126
"270395"	571.116602	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+Cl"	34.969402
"660750"	839.190202	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+Cl"	34.969402
"1277406"	303.043002	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Cl"	34.969402
"18870"	573.095806	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M-2H+K"	36.948606
"455773"	841.169406	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M-2H+K"	36.948606
"847908"	305.022206	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-2H+K"	36.948606
"1571040"	305.022206	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+K-2H"	36.948606
"957828"	313.071794	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-H+HCOOH"	44.998194
"376530"	581.145401	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+HCOOH-H"	44.998201
"361013"	595.161051	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+Hac-H"	59.013851
"1507947"	327.087451	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Hac-H"	59.013851
"973384"	335.053751	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-H+NaCOOH"	66.980151
"125326"	303.043002	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+2Cl"	69.938804
"563302"	437.079802	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+2Cl"	69.938804
"1033193"	169.006202	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2Cl"	69.938804
"1255323"	346.992485	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Br"	78.918885
"1315219"	349.048472	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Cl+HCOOH"	80.974872
"1327246"	371.030429	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Cl+NaCOOH"	102.956829
"916120"	381.059186	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M-H+CF3COOH"	112.985586
"1289057"	417.035864	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Cl+CF3COOH"	148.962264
"1378641"	233.060924	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H-2H2O"	-35.012676
"1392856"	251.0709	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H-H2O"	-17.0027
"290354"	537.154476	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+H"	1.007276
"676947"	805.228076	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+H"	1.007276
"1358036"	269.080876	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H"	1.007276
"129829"	269.080876	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+2H"	2.014552
"569390"	403.117676	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+2H"	2.014552
"1041831"	135.044076	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2H"	2.014552
"213750"	179.723009333333	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+3H"	3.021828
"648942"	269.080876	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+3H"	3.021828
"1169252"	90.3651426666667	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+3H"	3.021828
"428153"	554.181023	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+NH4"	18.033823
"787326"	822.254623	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+NH4"	18.033823
"1687674"	286.107423	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+NH4"	18.033823
"340328"	277.5941495	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+H+NH4"	19.041099
"728376"	411.6309495	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+H+NH4"	19.041099
"1478183"	143.5573495	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H+NH4"	19.041099
"400879"	559.136418	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+Na"	22.989218
"757499"	827.210018	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+Na"	22.989218
"1608880"	291.062818	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Na"	22.989218
"317821"	280.071847	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+H+Na"	23.996494
"710243"	414.108647	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+H+Na"	23.996494
"1469540"	146.035047	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H+Na"	23.996494
"1063880"	97.6924566666667	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2H+Na"	25.00377
"1263369"	301.107086	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+CH3OH+H"	33.033486
"385224"	575.110358	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+K"	38.963158
"739655"	843.183958	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+K"	38.963158
"1541707"	307.036758	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+K"	38.963158
"302165"	288.058817	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+H+K"	39.970434
"694584"	422.095617	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+H+K"	39.970434
"1447676"	154.022017	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H+K"	39.970434
"238099"	578.181026	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+ACN+H"	42.033826
"1217375"	310.107426	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+ACN+H"	42.033826
"1201257"	155.557351	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+ACN+2H"	43.041102
"194130"	581.11836	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+2Na-H"	44.97116
"634783"	849.19196	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+2Na-H"	44.97116
"1136100"	313.04476	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2Na-H"	44.97116
"178296"	291.062818	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+2Na"	45.978436
"621866"	425.099618	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+2Na"	45.978436
"1117716"	157.026018	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2Na"	45.978436
"1399897"	105.019770666667	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H+2Na"	46.985712
"1430428"	315.086346	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H+HCOOH"	47.012746
"221220"	296.09584	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+3H2O+2H"	56.04448
"1509651"	329.13839	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+IsoProp+H"	61.06479
"408925"	299.049788	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+Na+K"	61.952376
"771305"	433.086588	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+Na+K"	61.952376
"1666020"	165.012988	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Na+K"	61.952376
"251725"	600.162968	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+ACN+Na"	64.015768
"1226633"	332.089368	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+ACN+Na"	64.015768
"1713445"	332.112893	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+NH4+HCOOH"	64.039293
"1190725"	112.347084666667	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+3Na"	68.967654
"1664873"	337.068288	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Na+HCOOH"	68.994688
"172098"	613.06624	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+2K-H"	76.91904
"610318"	881.13984	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+2K-H"	76.91904
"1098125"	344.99264	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2K-H"	76.91904
"154939"	307.036758	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"2M+2K"	77.926316
"594503"	441.073558	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"3M+2K"	77.926316
"1080108"	172.999958	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2K"	77.926316
"1112224"	347.007192	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2K+H"	78.933592
"1348973"	347.094807	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+DMSO+H"	79.021207
"1018600"	351.133976	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2ACN+H"	83.060376
"1539029"	352.127608	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+IsoProp+Na+H"	84.054008
"1003534"	176.070626	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+2ACN+2H"	84.067652
"1600954"	353.042228	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+K+HCOOH"	84.968628
"1429411"	383.073738	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+H+CF3COOH"	115.000138
"1160547"	196.583901	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+3ACN+2H"	125.094202
"1712159"	400.100285	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+NH4+CF3COOH"	132.026685
"1647202"	405.05568	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+Na+CF3COOH"	136.98208
"1575196"	421.02962	"C15203"	"6-Hydroxy-2-methoxyflavone;6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one"	"C16H12O4"	"268.0736"	"M+K+CF3COOH"	152.95602
"805562"	240.0786	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M"	0
"979096"	221.06021	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"64174"	159.045124	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"504705"	239.071324	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"883608"	79.018924	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"2185"	239.071324	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"442105"	359.110624	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"818814"	119.032024	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"81716"	479.149924	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"520912"	719.228524	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"898351"	239.071324	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"50538"	496.176471	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"493745"	736.255071	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"875192"	256.097871	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"43093"	501.131866	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"479374"	741.210466	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"849524"	261.053266	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1620151"	261.053266	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"98870"	257.059663	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"535147"	377.098963	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"928177"	137.020363	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"272692"	515.126602	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"665113"	755.205202	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1276423"	275.048002	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"18980"	517.105806	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"456352"	757.184406	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"846565"	277.027206	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1570786"	277.027206	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"957573"	285.076794	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"376153"	525.155401	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"360033"	539.171051	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1506681"	299.092451	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"971910"	307.058751	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"123494"	275.048002	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"557945"	395.087302	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1035130"	155.008702	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1255800"	318.997485	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1319180"	321.053472	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1332460"	343.035429	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"916230"	353.064186	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1294030"	389.040864	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1378752"	205.065924	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1395153"	223.0759	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"290464"	481.164476	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"680704"	721.243076	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1359238"	241.085876	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"134315"	241.085876	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"573145"	361.125176	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1045954"	121.046576	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"209488"	161.059676	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"649052"	241.085876	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1167178"	81.033476	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"426441"	498.191023	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"788165"	738.269623	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1684503"	258.112423	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"341531"	249.5991495	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"731766"	369.6384495	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1481211"	129.5598495	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"393692"	503.146418	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"757609"	743.225018	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1605706"	263.067818	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"317932"	252.076847	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"710352"	372.116147	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1467458"	132.037547	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1057423"	88.36079	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1261290"	273.112086	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"381322"	519.120358	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"740494"	759.198958	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1542174"	279.041758	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"300084"	260.063817	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"693234"	380.103117	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1448514"	140.024517	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"239304"	522.191026	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1217485"	282.112426	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1201367"	141.559851	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"194240"	525.12836	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"635986"	765.20696	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1139490"	285.04976	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"178406"	263.067818	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"619060"	383.107118	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1118190"	143.028518	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1399647"	95.688104	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1430218"	287.091346	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"221454"	268.10084	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1510487"	301.14339	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"408750"	271.054788	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"770928"	391.094088	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1667511"	151.015488	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"251842"	544.172968	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1227472"	304.094368	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1713436"	304.117893	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1190835"	103.015418	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1659633"	309.073288	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"168682"	557.07624	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"609334"	797.15484	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1096779"	316.99764	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"154686"	279.041758	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"592424"	399.081058	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1079124"	159.002458	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1112698"	319.012192	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1349446"	319.099807	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1017251"	323.138976	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1537559"	324.132608	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"1004009"	162.073126	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1600697"	325.047228	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1429270"	355.078738	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1162355"	182.586401	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1712393"	372.105285	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1647312"	377.06068	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1575306"	393.03462	"C15204"	"3-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"808952"	278.1518	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M"	0
"980300"	259.13341	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-H2O-H"	-19.01839
"65625"	184.427257333333	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M-3H"	-3.021828
"508098"	277.144524	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M-3H"	-3.021828
"884811"	91.7099906666667	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-3H"	-3.021828
"3388"	277.144524	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M-2H"	-2.014552
"441851"	416.220424	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M-2H"	-2.014552
"819653"	138.068624	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-2H"	-2.014552
"81830"	555.296324	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M-H"	-1.007276
"522484"	833.448124	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M-H"	-1.007276
"898829"	277.144524	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-H"	-1.007276
"52475"	572.322871	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M-2H+NH4"	16.019271
"498594"	850.474671	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M-2H+NH4"	16.019271
"872022"	294.171071	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-2H+NH4"	16.019271
"41016"	577.278266	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M-2H+Na"	20.974666
"477298"	855.430066	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M-2H+Na"	20.974666
"854373"	299.126466	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-2H+Na"	20.974666
"1625730"	299.126466	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Na-2H"	20.974666
"102259"	295.132863	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M-H+Cl"	33.962126
"541820"	434.208763	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M-H+Cl"	33.962126
"933151"	156.056963	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-H+Cl"	33.962126
"269640"	591.273002	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+Cl"	34.969402
"663036"	869.424802	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+Cl"	34.969402
"1276533"	313.121202	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Cl"	34.969402
"19091"	593.252206	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M-2H+K"	36.948606
"456828"	871.404006	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M-2H+K"	36.948606
"848010"	315.100406	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-2H+K"	36.948606
"1571107"	315.100406	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+K-2H"	36.948606
"957200"	323.149994	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-H+HCOOH"	44.998194
"376028"	601.301801	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+HCOOH-H"	44.998201
"359780"	615.317451	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+Hac-H"	59.013851
"1506791"	337.165651	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Hac-H"	59.013851
"972509"	345.131951	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-H+NaCOOH"	66.980151
"124574"	313.121202	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+2Cl"	69.938804
"562429"	452.197102	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+2Cl"	69.938804
"1035607"	174.045302	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2Cl"	69.938804
"1255426"	357.070685	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Br"	78.918885
"1318362"	359.126672	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Cl+HCOOH"	80.974872
"1334030"	381.108629	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Cl+NaCOOH"	102.956829
"924723"	391.137386	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M-H+CF3COOH"	112.985586
"1301067"	427.114064	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Cl+CF3COOH"	148.962264
"1380687"	243.139124	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H-2H2O"	-35.012676
"1396725"	261.1491	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H-H2O"	-17.0027
"293855"	557.310876	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+H"	1.007276
"687374"	835.462676	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+H"	1.007276
"1358257"	279.159076	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H"	1.007276
"134425"	279.159076	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+2H"	2.014552
"573985"	418.234976	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+2H"	2.014552
"1048250"	140.083176	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2H"	2.014552
"219320"	186.441809333333	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+3H"	3.021828
"650257"	279.159076	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+3H"	3.021828
"1168381"	93.7245426666667	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+3H"	3.021828
"431655"	574.337423	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+NH4"	18.033823
"787911"	852.489223	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+NH4"	18.033823
"1684613"	296.185623	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+NH4"	18.033823
"341641"	287.6723495	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+H+NH4"	19.041099
"736250"	426.7482495	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+H+NH4"	19.041099
"1484601"	148.5964495	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H+NH4"	19.041099
"393436"	579.292818	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+Na"	22.989218
"759906"	857.444618	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+Na"	22.989218
"1608004"	301.141018	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Na"	22.989218
"318042"	290.150047	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+H+Na"	23.996494
"710463"	429.225947	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+H+Na"	23.996494
"1462094"	151.074147	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H+Na"	23.996494
"1054615"	101.051856666667	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2H+Na"	25.00377
"1257426"	311.185286	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+CH3OH+H"	33.033486
"379243"	595.266758	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+K"	38.963158
"739501"	873.418558	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+K"	38.963158
"1540828"	317.114958	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+K"	38.963158
"299828"	298.137017	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+H+K"	39.970434
"693710"	437.212917	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+H+K"	39.970434
"1450814"	159.061117	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H+K"	39.970434
"239050"	598.337426	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+ACN+H"	42.033826
"1221968"	320.185626	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+ACN+H"	42.033826
"1201477"	160.596451	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+ACN+2H"	43.041102
"198724"	601.27476	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+2Na-H"	44.97116
"633909"	879.42656	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+2Na-H"	44.97116
"1139600"	323.12296	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2Na-H"	44.97116
"178516"	301.141018	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+2Na"	45.978436
"616981"	440.216918	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+2Na"	45.978436
"1119395"	162.065118	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2Na"	45.978436
"1400000"	108.379170666667	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H+2Na"	46.985712
"1431504"	325.164546	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H+HCOOH"	47.012746
"224730"	306.17404	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+3H2O+2H"	56.04448
"1513886"	339.21659	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+IsoProp+H"	61.06479
"409921"	309.127988	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+Na+K"	61.952376
"770312"	448.203888	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+Na+K"	61.952376
"1666650"	170.052088	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Na+K"	61.952376
"251585"	620.319368	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+ACN+Na"	64.015768
"1226161"	342.167568	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+ACN+Na"	64.015768
"1713543"	342.191093	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+NH4+HCOOH"	64.039293
"1182556"	115.706484666667	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+3Na"	68.967654
"1659743"	347.146488	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Na+HCOOH"	68.994688
"167696"	633.22264	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+2K-H"	76.91904
"605069"	911.37444	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+2K-H"	76.91904
"1096524"	355.07084	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2K-H"	76.91904
"154069"	317.114958	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"2M+2K"	77.926316
"592538"	456.190858	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"3M+2K"	77.926316
"1080329"	178.039058	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2K"	77.926316
"1112081"	357.085392	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2K+H"	78.933592
"1346643"	357.173007	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+DMSO+H"	79.021207
"1017357"	361.212176	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2ACN+H"	83.060376
"1537304"	362.205808	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+IsoProp+Na+H"	84.054008
"1002662"	181.109726	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+2ACN+2H"	84.067652
"1599350"	363.120428	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+K+HCOOH"	84.968628
"1427923"	393.151938	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+H+CF3COOH"	115.000138
"1161857"	201.623001	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+3ACN+2H"	125.094202
"1709583"	410.178485	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+NH4+CF3COOH"	132.026685
"1648515"	415.13388	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+Na+CF3COOH"	136.98208
"1575416"	431.10782	"C15205"	"Diisobutyl phthalate;DIBP"	"C16H22O4"	"278.1518"	"M+K+CF3COOH"	152.95602
"802502"	256.1463	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M"	0
"979316"	237.12791	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-H2O-H"	-19.01839
"62895"	169.756924	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M-3H"	-3.021828
"504197"	255.139024	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M-3H"	-3.021828
"883828"	84.374824	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-3H"	-3.021828
"4591"	255.139024	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M-2H"	-2.014552
"441961"	383.212174	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M-2H"	-2.014552
"818062"	127.065874	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-2H"	-2.014552
"79629"	511.285324	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M-H"	-1.007276
"520769"	767.431624	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M-H"	-1.007276
"897113"	255.139024	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-H"	-1.007276
"48936"	528.311871	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M-2H+NH4"	16.019271
"489225"	784.458171	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M-2H+NH4"	16.019271
"868119"	272.165571	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-2H+NH4"	16.019271
"37845"	533.267266	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M-2H+Na"	20.974666
"481780"	789.413566	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M-2H+Na"	20.974666
"849741"	277.120966	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-2H+Na"	20.974666
"1621464"	277.120966	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Na-2H"	20.974666
"97993"	273.127363	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M-H+Cl"	33.962126
"538648"	401.200513	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M-H+Cl"	33.962126
"927219"	145.054213	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-H+Cl"	33.962126
"268287"	547.262002	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+Cl"	34.969402
"661929"	803.408302	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+Cl"	34.969402
"1274090"	291.115702	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Cl"	34.969402
"16769"	549.241206	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M-2H+K"	36.948606
"458763"	805.387506	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M-2H+K"	36.948606
"848497"	293.094906	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-2H+K"	36.948606
"1570890"	293.094906	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+K-2H"	36.948606
"958309"	301.144494	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-H+HCOOH"	44.998194
"376866"	557.290801	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+HCOOH-H"	44.998201
"360623"	571.306451	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+Hac-H"	59.013851
"1507267"	315.160151	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Hac-H"	59.013851
"973711"	323.126451	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-H+NaCOOH"	66.980151
"124809"	291.115702	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+2Cl"	69.938804
"562907"	419.188852	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+2Cl"	69.938804
"1036690"	163.042552	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2Cl"	69.938804
"1256754"	335.065185	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Br"	78.918885
"1319566"	337.121172	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Cl+HCOOH"	80.974872
"1334504"	359.103129	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Cl+NaCOOH"	102.956829
"924833"	369.131886	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M-H+CF3COOH"	112.985586
"1302272"	405.108564	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Cl+CF3COOH"	148.962264
"1380797"	221.133624	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H-2H2O"	-35.012676
"1396835"	239.1436	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H-H2O"	-17.0027
"293965"	513.299876	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+H"	1.007276
"688577"	769.446176	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+H"	1.007276
"1359461"	257.153576	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H"	1.007276
"134535"	257.153576	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+2H"	2.014552
"574094"	385.226726	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+2H"	2.014552
"1049820"	129.080426	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2H"	2.014552
"219310"	171.771476	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+3H"	3.021828
"650367"	257.153576	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+3H"	3.021828
"1167398"	86.389376	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+3H"	3.021828
"432859"	530.326423	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+NH4"	18.033823
"788385"	786.472723	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+NH4"	18.033823
"1683630"	274.180123	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+NH4"	18.033823
"341751"	265.6668495	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+H+NH4"	19.041099
"736725"	393.7399995	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+H+NH4"	19.041099
"1484711"	137.5936995	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H+NH4"	19.041099
"393548"	535.281818	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+Na"	22.989218
"760016"	791.428118	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+Na"	22.989218
"1608114"	279.135518	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Na"	22.989218
"316330"	268.144547	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+H+Na"	23.996494
"709844"	396.217697	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+H+Na"	23.996494
"1461960"	140.071397	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H+Na"	23.996494
"1055089"	93.71669	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2H+Na"	25.00377
"1258223"	289.179786	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+CH3OH+H"	33.033486
"379716"	551.255758	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+K"	38.963158
"739731"	807.402058	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+K"	38.963158
"1540328"	295.109458	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+K"	38.963158
"299575"	276.131517	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+H+K"	39.970434
"692117"	404.204667	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+H+K"	39.970434
"1446549"	148.058367	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H+K"	39.970434
"236604"	554.326426	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+ACN+H"	42.033826
"1216610"	298.180126	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+ACN+H"	42.033826
"1198307"	149.593701	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+ACN+2H"	43.041102
"194459"	557.26376	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+2Na-H"	44.97116
"630737"	813.41006	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+2Na-H"	44.97116
"1135337"	301.11746	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2Na-H"	44.97116
"173763"	279.135518	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+2Na"	45.978436
"617093"	407.208668	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+2Na"	45.978436
"1121692"	151.062368	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2Na"	45.978436
"1398894"	101.044004	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H+2Na"	46.985712
"1431856"	303.159046	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H+HCOOH"	47.012746
"220339"	284.16854	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+3H2O+2H"	56.04448
"1509257"	317.21109	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+IsoProp+H"	61.06479
"409668"	287.122488	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+Na+K"	61.952376
"770667"	415.195638	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+Na+K"	61.952376
"1666272"	159.049338	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Na+K"	61.952376
"251607"	576.308368	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+ACN+Na"	64.015768
"1225988"	320.162068	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+ACN+Na"	64.015768
"1712927"	320.185593	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+NH4+HCOOH"	64.039293
"1183029"	108.371318	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+3Na"	68.967654
"1659853"	325.140988	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Na+HCOOH"	68.994688
"166713"	589.21164	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+2K-H"	76.91904
"605179"	845.35794	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+2K-H"	76.91904
"1096634"	333.06534	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2K-H"	76.91904
"154181"	295.109458	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"2M+2K"	77.926316
"593376"	423.182608	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"3M+2K"	77.926316
"1080072"	167.036308	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2K"	77.926316
"1113406"	335.079892	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2K+H"	78.933592
"1348574"	335.167507	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+DMSO+H"	79.021207
"1018562"	339.206676	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2ACN+H"	83.060376
"1537779"	340.200308	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+IsoProp+Na+H"	84.054008
"1003134"	170.106976	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+2ACN+2H"	84.067652
"1600189"	341.114928	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+K+HCOOH"	84.968628
"1428397"	371.146438	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+H+CF3COOH"	115.000138
"1162643"	190.620251	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+3ACN+2H"	125.094202
"1709693"	388.172985	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+NH4+CF3COOH"	132.026685
"1647532"	393.12838	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+Na+CF3COOH"	136.98208
"1575526"	409.10232	"C15206"	"33-Bis(4-hydroxyphenyl)pentane;44-(1-Ethylpropane-11-diyl)diphenol"	"C17H20O2"	"256.1463"	"M+K+CF3COOH"	152.95602
"802976"	528.1665	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M"	0
"978333"	509.14811	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-H2O-H"	-19.01839
"63081"	351.103724	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M-3H"	-3.021828
"504307"	527.159224	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M-3H"	-3.021828
"880123"	175.048224	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-3H"	-3.021828
"690"	527.159224	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H"	-2.014552
"442071"	791.242474	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H"	-2.014552
"819144"	263.075974	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-2H"	-2.014552
"80588"	1055.325724	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M-H"	-1.007276
"521243"	1583.492224	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M-H"	-1.007276
"898681"	527.159224	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-H"	-1.007276
"50501"	1072.352271	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H+NH4"	16.019271
"491157"	1600.518771	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H+NH4"	16.019271
"869687"	544.185771	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-2H+NH4"	16.019271
"36132"	1077.307666	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H+Na"	20.974666
"476422"	1605.474166	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H+Na"	20.974666
"852037"	549.141166	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-2H+Na"	20.974666
"1620481"	549.141166	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Na-2H"	20.974666
"99197"	545.147563	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M-H+Cl"	33.962126
"537664"	809.230813	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M-H+Cl"	33.962126
"928384"	281.064313	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-H+Cl"	33.962126
"267669"	1091.302402	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+Cl"	34.969402
"660819"	1619.468902	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+Cl"	34.969402
"1274566"	563.135902	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl"	34.969402
"16511"	1093.281606	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M-2H+K"	36.948606
"458143"	1621.448106	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M-2H+K"	36.948606
"847619"	565.115106	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-2H+K"	36.948606
"1571093"	565.115106	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+K-2H"	36.948606
"957542"	573.164694	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-H+HCOOH"	44.998194
"376120"	1101.331201	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+HCOOH-H"	44.998201
"361311"	1115.346851	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+Hac-H"	59.013851
"1507738"	587.180351	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Hac-H"	59.013851
"972728"	595.146651	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-H+NaCOOH"	66.980151
"123825"	563.135902	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+2Cl"	69.938804
"563378"	827.219152	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+2Cl"	69.938804
"1035822"	299.052652	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2Cl"	69.938804
"1256493"	607.085385	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Br"	78.918885
"1319306"	609.141372	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl+HCOOH"	80.974872
"1333885"	631.123329	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl+NaCOOH"	102.956829
"925309"	641.152086	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M-H+CF3COOH"	112.985586
"1302018"	677.128764	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Cl+CF3COOH"	148.962264
"1382489"	493.153824	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H-2H2O"	-35.012676
"1396581"	511.1638	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H-H2O"	-17.0027
"294076"	1057.340276	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+H"	1.007276
"682127"	1585.506776	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+H"	1.007276
"1356290"	529.173776	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H"	1.007276
"131365"	529.173776	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+2H"	2.014552
"576392"	793.257026	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+2H"	2.014552
"1044096"	265.090526	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2H"	2.014552
"210540"	353.118276	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+3H"	3.021828
"647554"	529.173776	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+3H"	3.021828
"1168596"	177.062776	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+3H"	3.021828
"431868"	1074.366823	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+NH4"	18.033823
"789589"	1602.533323	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+NH4"	18.033823
"1684463"	546.200323	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+NH4"	18.033823
"341861"	537.6870495	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+H+NH4"	19.041099
"735376"	801.7702995	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+H+NH4"	19.041099
"1478261"	273.6037995	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H+NH4"	19.041099
"393291"	1079.322218	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+Na"	22.989218
"760126"	1607.488718	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+Na"	22.989218
"1606037"	551.155718	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Na"	22.989218
"315711"	540.164747	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+H+Na"	23.996494
"710318"	804.247997	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+H+Na"	23.996494
"1461828"	276.081497	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H+Na"	23.996494
"1052875"	184.39009	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2H+Na"	25.00377
"1257602"	561.199986	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+CH3OH+H"	33.033486
"377129"	1095.296158	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+K"	38.963158
"738555"	1623.462658	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+K"	38.963158
"1539880"	567.129658	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+K"	38.963158
"298748"	548.151717	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+H+K"	39.970434
"691390"	812.234967	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+H+K"	39.970434
"1445597"	284.068467	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H+K"	39.970434
"235721"	1098.366826	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+ACN+H"	42.033826
"1210272"	570.200326	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+ACN+H"	42.033826
"1204977"	285.603801	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+ACN+2H"	43.041102
"192381"	1101.30416	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+2Na-H"	44.97116
"631574"	1629.47066	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+2Na-H"	44.97116
"1132038"	573.13766	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2Na-H"	44.97116
"174479"	551.155718	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+2Na"	45.978436
"616109"	815.238968	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+2Na"	45.978436
"1115968"	287.072468	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2Na"	45.978436
"1399247"	191.717404	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H+2Na"	46.985712
"1431236"	575.179246	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H+HCOOH"	47.012746
"221300"	556.18874	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+3H2O+2H"	56.04448
"1514105"	589.23129	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+IsoProp+H"	61.06479
"410140"	559.142688	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+Na+K"	61.952376
"771873"	823.225938	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+Na+K"	61.952376
"1669297"	295.059438	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Na+K"	61.952376
"256912"	1120.348768	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+ACN+Na"	64.015768
"1229622"	592.182268	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+ACN+Na"	64.015768
"1716321"	592.205793	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+NH4+HCOOH"	64.039293
"1179852"	199.044718	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+3Na"	68.967654
"1652667"	597.161188	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Na+HCOOH"	68.994688
"161356"	1133.25204	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+2K-H"	76.91904
"600547"	1661.41854	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+2K-H"	76.91904
"1097952"	605.08554	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2K-H"	76.91904
"155255"	567.129658	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"2M+2K"	77.926316
"596760"	831.212908	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"3M+2K"	77.926316
"1082738"	303.046408	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2K"	77.926316
"1113755"	607.100092	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2K+H"	78.933592
"1349413"	607.187707	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+DMSO+H"	79.021207
"1019035"	611.226876	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2ACN+H"	83.060376
"1538862"	612.220508	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+IsoProp+Na+H"	84.054008
"1003610"	306.117076	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+2ACN+2H"	84.067652
"1601877"	613.135128	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+K+HCOOH"	84.968628
"1427778"	643.166638	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+H+CF3COOH"	115.000138
"1162736"	326.630351	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+3ACN+2H"	125.094202
"1709803"	660.193185	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+NH4+CF3COOH"	132.026685
"1649463"	665.14858	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+Na+CF3COOH"	136.98208
"1575636"	681.12252	"C15207"	"17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate;Estradiol 3-glucuronide 17beta-sulfate"	"C24H32O11S"	"528.1665"	"M+K+CF3COOH"	152.95602
"803086"	344.1988	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M"	0
"978443"	325.18041	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-H2O-H"	-19.01839
"63237"	228.458590666667	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M-3H"	-3.021828
"504417"	343.191524	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M-3H"	-3.021828
"881130"	113.725657333333	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-3H"	-3.021828
"1529"	343.191524	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M-2H"	-2.014552
"443274"	515.290924	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M-2H"	-2.014552
"818887"	171.092124	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-2H"	-2.014552
"79849"	687.390324	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M-H"	-1.007276
"521719"	1031.589124	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M-H"	-1.007276
"899520"	343.191524	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-H"	-1.007276
"50979"	704.416871	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M-2H+NH4"	16.019271
"493456"	1048.615671	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M-2H+NH4"	16.019271
"870163"	360.218071	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-2H+NH4"	16.019271
"38065"	709.372266	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M-2H+Na"	20.974666
"475439"	1053.571066	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M-2H+Na"	20.974666
"850327"	365.173466	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-2H+Na"	20.974666
"1620592"	365.173466	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Na-2H"	20.974666
"99307"	361.179863	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M-H+Cl"	33.962126
"536681"	533.279263	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M-H+Cl"	33.962126
"928733"	189.080463	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-H+Cl"	33.962126
"267900"	723.367002	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+Cl"	34.969402
"661049"	1067.565802	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+Cl"	34.969402
"1272760"	379.168202	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Cl"	34.969402
"16496"	725.346206	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M-2H+K"	36.948606
"456183"	1069.545006	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M-2H+K"	36.948606
"841164"	381.147406	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-2H+K"	36.948606
"1570123"	381.147406	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+K-2H"	36.948606
"953631"	389.196994	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-H+HCOOH"	44.998194
"369658"	733.395801	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+HCOOH-H"	44.998201
"360709"	747.411451	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+Hac-H"	59.013851
"1503466"	403.212651	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Hac-H"	59.013851
"971008"	411.178951	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-H+NaCOOH"	66.980151
"123195"	379.168202	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+2Cl"	69.938804
"557290"	551.267602	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+2Cl"	69.938804
"1029369"	207.068802	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2Cl"	69.938804
"1254414"	423.117685	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Br"	78.918885
"1312487"	425.173672	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Cl+HCOOH"	80.974872
"1332900"	447.155629	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Cl+NaCOOH"	102.956829
"918854"	457.184386	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M-H+CF3COOH"	112.985586
"1298843"	493.161064	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Cl+CF3COOH"	148.962264
"1373722"	309.186124	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H-2H2O"	-35.012676
"1386844"	327.1961	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H-H2O"	-17.0027
"284218"	689.404876	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+H"	1.007276
"682237"	1033.603676	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+H"	1.007276
"1356399"	345.206076	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H"	1.007276
"134755"	345.206076	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+2H"	2.014552
"574315"	517.305476	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+2H"	2.014552
"1046393"	173.106676	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2H"	2.014552
"208826"	230.473142666667	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+3H"	3.021828
"647299"	345.206076	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+3H"	3.021828
"1166520"	115.740209333333	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+3H"	3.021828
"431978"	706.431423	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+NH4"	18.033823
"790061"	1050.630223	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+NH4"	18.033823
"1686032"	362.232623	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+NH4"	18.033823
"341971"	353.7193495	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+H+NH4"	19.041099
"736580"	525.8187495	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+H+NH4"	19.041099
"1484931"	181.6199495	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H+NH4"	19.041099
"394496"	711.386818	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+Na"	22.989218
"760236"	1055.585618	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+Na"	22.989218
"1606147"	367.188018	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Na"	22.989218
"315453"	356.197047	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+H+Na"	23.996494
"710064"	528.296447	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+H+Na"	23.996494
"1461936"	184.097647	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H+Na"	23.996494
"1053152"	123.067523333333	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2H+Na"	25.00377
"1257300"	377.232286	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+CH3OH+H"	33.033486
"377297"	727.360758	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+K"	38.963158
"738693"	1071.559558	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+K"	38.963158
"1540176"	383.161958	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+K"	38.963158
"299307"	364.184017	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+H+K"	39.970434
"691594"	536.283417	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+H+K"	39.970434
"1445780"	192.084617	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H+K"	39.970434
"235796"	730.431426	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+ACN+H"	42.033826
"1211719"	386.232626	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+ACN+H"	42.033826
"1198525"	193.619951	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+ACN+2H"	43.041102
"191398"	733.36876	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+2Na-H"	44.97116
"631320"	1077.56756	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+2Na-H"	44.97116
"1132392"	389.16996	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2Na-H"	44.97116
"173537"	367.188018	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+2Na"	45.978436
"616219"	539.287418	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+2Na"	45.978436
"1116566"	195.088618	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2Na"	45.978436
"1401061"	130.394837333333	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H+2Na"	46.985712
"1432084"	391.211546	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H+HCOOH"	47.012746
"223964"	372.22104	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+3H2O+2H"	56.04448
"1512028"	405.26359	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+IsoProp+H"	61.06479
"409162"	375.174988	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+Na+K"	61.952376
"771012"	547.274388	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+Na+K"	61.952376
"1666612"	203.075588	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Na+K"	61.952376
"254470"	752.413368	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+ACN+Na"	64.015768
"1228274"	408.214568	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+ACN+Na"	64.015768
"1717160"	408.238093	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+NH4+HCOOH"	64.039293
"1180328"	137.722151333333	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+3Na"	68.967654
"1653142"	413.193488	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Na+HCOOH"	68.994688
"161466"	765.31664	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+2K-H"	76.91904
"604302"	1109.51544	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+2K-H"	76.91904
"1099276"	421.11784	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2K-H"	76.91904
"155241"	383.161958	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"2M+2K"	77.926316
"595654"	555.261358	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"3M+2K"	77.926316
"1080651"	211.062558	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2K"	77.926316
"1112772"	423.132392	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2K+H"	78.933592
"1349883"	423.220007	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+DMSO+H"	79.021207
"1018780"	427.259176	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2ACN+H"	83.060376
"1537998"	428.252808	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+IsoProp+Na+H"	84.054008
"1003720"	214.133226	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+2ACN+2H"	84.067652
"1601135"	429.167428	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+K+HCOOH"	84.968628
"1427888"	459.198938	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+H+CF3COOH"	115.000138
"1159268"	234.646501	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+3ACN+2H"	125.094202
"1707726"	476.225485	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+NH4+CF3COOH"	132.026685
"1648480"	481.18088	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+Na+CF3COOH"	136.98208
"1579026"	497.15482	"C15208"	"Bisphenol A bis(2-hydroxypropyl) ether;Bisphenol A propoxylate;22-Bis4-(2-hydroxy-2-methylethoxy)phenylpropane"	"C21H28O4"	"344.1988"	"M+K+CF3COOH"	152.95602
"812674"	424.1886	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M"	0
"980740"	405.17021	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-H2O-H"	-19.01839
"65335"	281.785124	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M-3H"	-3.021828
"505261"	423.181324	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M-3H"	-3.021828
"881969"	140.388924	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-3H"	-3.021828
"667"	423.181324	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M-2H"	-2.014552
"441564"	635.275624	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M-2H"	-2.014552
"821183"	211.087024	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-2H"	-2.014552
"84455"	847.369924	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M-H"	-1.007276
"524017"	1271.558524	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M-H"	-1.007276
"902912"	423.181324	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-H"	-1.007276
"55102"	864.396471	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M-2H+NH4"	16.019271
"495754"	1288.585071	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M-2H+NH4"	16.019271
"873557"	440.207871	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-2H+NH4"	16.019271
"35990"	869.351866	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M-2H+Na"	20.974666
"478830"	1293.540466	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M-2H+Na"	20.974666
"854450"	445.163266	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-2H+Na"	20.974666
"1620703"	445.163266	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Na-2H"	20.974666
"96501"	441.169663	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M-H+Cl"	33.962126
"538979"	653.263963	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M-H+Cl"	33.962126
"930311"	229.075363	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-H+Cl"	33.962126
"269962"	883.346602	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+Cl"	34.969402
"662017"	1307.535202	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+Cl"	34.969402
"1275881"	459.158002	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Cl"	34.969402
"19529"	885.325806	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M-2H+K"	36.948606
"456904"	1309.514406	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M-2H+K"	36.948606
"847109"	461.137206	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-2H+K"	36.948606
"1569880"	461.137206	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+K-2H"	36.948606
"958042"	469.186794	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-H+HCOOH"	44.998194
"375977"	893.375401	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+HCOOH-H"	44.998201
"360950"	907.391051	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+Hac-H"	59.013851
"1507228"	483.202451	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Hac-H"	59.013851
"972584"	491.168751	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-H+NaCOOH"	66.980151
"124407"	459.158002	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+2Cl"	69.938804
"565063"	671.252302	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+2Cl"	69.938804
"1034955"	247.063702	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2Cl"	69.938804
"1256601"	503.107485	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Br"	78.918885
"1318436"	505.163472	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Cl+HCOOH"	80.974872
"1335371"	527.145429	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Cl+NaCOOH"	102.956829
"925164"	537.174186	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M-H+CF3COOH"	112.985586
"1301872"	573.150864	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Cl+CF3COOH"	148.962264
"1379303"	389.175924	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H-2H2O"	-35.012676
"1398441"	407.1859	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H-H2O"	-17.0027
"296485"	849.384476	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+H"	1.007276
"682347"	1273.573076	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+H"	1.007276
"1355416"	425.195876	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H"	1.007276
"131584"	425.195876	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+2H"	2.014552
"568958"	637.290176	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+2H"	2.014552
"1042131"	213.101576	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2H"	2.014552
"213312"	283.799676	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+3H"	3.021828
"653612"	425.195876	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+3H"	3.021828
"1166266"	142.403476	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+3H"	3.021828
"428810"	866.411023	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+NH4"	18.033823
"791996"	1290.599623	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+NH4"	18.033823
"1683958"	442.222423	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+NH4"	18.033823
"343174"	433.7091495	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+H+NH4"	19.041099
"736691"	645.8034495	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+H+NH4"	19.041099
"1490509"	221.6148495	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H+NH4"	19.041099
"406638"	871.366418	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+Na"	22.989218
"760346"	1295.555018	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+Na"	22.989218
"1612817"	447.177818	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Na"	22.989218
"326133"	436.186847	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+H+Na"	23.996494
"711632"	648.281147	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+H+Na"	23.996494
"1462170"	224.092547	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H+Na"	23.996494
"1053347"	149.73079	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2H+Na"	25.00377
"1258065"	457.222086	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+CH3OH+H"	33.033486
"377368"	887.340358	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+K"	38.963158
"739214"	1311.528958	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+K"	38.963158
"1540541"	463.151758	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+K"	38.963158
"299417"	444.173817	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+H+K"	39.970434
"694513"	656.268117	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+H+K"	39.970434
"1449064"	232.079517	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H+K"	39.970434
"236041"	890.411026	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+ACN+H"	42.033826
"1211464"	466.222426	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+ACN+H"	42.033826
"1203011"	233.614851	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+ACN+2H"	43.041102
"192601"	893.34836	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+2Na-H"	44.97116
"631430"	1317.53696	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+2Na-H"	44.97116
"1132261"	469.15976	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2Na-H"	44.97116
"178956"	447.177818	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+2Na"	45.978436
"620704"	659.272118	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+2Na"	45.978436
"1120929"	235.083518	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2Na"	45.978436
"1409920"	157.058104	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H+2Na"	46.985712
"1434381"	471.201346	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H+HCOOH"	47.012746
"226263"	452.21084	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+3H2O+2H"	56.04448
"1514327"	485.25339	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+IsoProp+H"	61.06479
"409636"	455.164788	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+Na+K"	61.952376
"775011"	667.259088	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+Na+K"	61.952376
"1668061"	243.070488	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Na+K"	61.952376
"255674"	912.392968	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+ACN+Na"	64.015768
"1231666"	488.204368	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+ACN+Na"	64.015768
"1717271"	488.227893	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+NH4+HCOOH"	64.039293
"1188092"	164.385418	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+3Na"	68.967654
"1651066"	493.183288	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Na+HCOOH"	68.994688
"161573"	925.29624	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+2K-H"	76.91904
"601132"	1349.48484	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+2K-H"	76.91904
"1087101"	501.10764	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2K-H"	76.91904
"154866"	463.151758	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"2M+2K"	77.926316
"595151"	675.246058	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"3M+2K"	77.926316
"1080761"	251.057458	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2K"	77.926316
"1113366"	503.122192	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2K+H"	78.933592
"1349261"	503.209807	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+DMSO+H"	79.021207
"1018527"	507.248976	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2ACN+H"	83.060376
"1537017"	508.242608	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+IsoProp+Na+H"	84.054008
"1002734"	254.128126	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+2ACN+2H"	84.067652
"1600154"	509.157228	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+K+HCOOH"	84.968628
"1429220"	539.188738	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+H+CF3COOH"	115.000138
"1162297"	274.641401	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+3ACN+2H"	125.094202
"1708930"	556.215285	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+NH4+CF3COOH"	132.026685
"1646767"	561.17068	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+Na+CF3COOH"	136.98208
"1573668"	577.14462	"C15209"	"Bisphenol A ethoxylate diacrylate"	"C25H28O6"	"424.1886"	"M+K+CF3COOH"	152.95602
"804035"	228.115	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M"	0
"978664"	209.09661	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H2O-H"	-19.01839
"62970"	151.069390666667	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-3H"	-3.021828
"506462"	227.107724	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-3H"	-3.021828
"884265"	75.0310573333333	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-3H"	-3.021828
"1747"	227.107724	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H"	-2.014552
"442403"	341.165224	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H"	-2.014552
"821292"	113.050224	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H"	-2.014552
"85660"	455.222724	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-H"	-1.007276
"523399"	683.337724	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-H"	-1.007276
"901930"	227.107724	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H"	-1.007276
"61166"	472.249271	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H+NH4"	16.019271
"498051"	700.364271	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H+NH4"	16.019271
"876583"	244.134271	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H+NH4"	16.019271
"40474"	477.204666	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H+Na"	20.974666
"477120"	705.319666	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H+Na"	20.974666
"854560"	249.089666	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H+Na"	20.974666
"1622999"	249.089666	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na-2H"	20.974666
"100622"	245.096063	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-H+Cl"	33.962126
"542370"	359.153563	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-H+Cl"	33.962126
"930418"	131.038563	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+Cl"	33.962126
"270800"	491.199402	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Cl"	34.969402
"662491"	719.314402	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+Cl"	34.969402
"1274897"	263.084402	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl"	34.969402
"19640"	493.178606	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M-2H+K"	36.948606
"459564"	721.293606	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M-2H+K"	36.948606
"846852"	265.063606	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-2H+K"	36.948606
"1570101"	265.063606	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K-2H"	36.948606
"957947"	273.113194	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+HCOOH"	44.998194
"376450"	501.228201	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+HCOOH-H"	44.998201
"360572"	515.243851	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Hac-H"	59.013851
"1505149"	287.128851	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Hac-H"	59.013851
"970504"	295.095151	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+NaCOOH"	66.980151
"123789"	263.084402	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2Cl"	69.938804
"560793"	377.141902	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2Cl"	69.938804
"1029593"	149.026902	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2Cl"	69.938804
"1252450"	307.033885	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Br"	78.918885
"1318178"	309.089872	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl+HCOOH"	80.974872
"1335554"	331.071829	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl+NaCOOH"	102.956829
"926733"	341.100586	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M-H+CF3COOH"	112.985586
"1300890"	377.077264	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Cl+CF3COOH"	148.962264
"1377228"	193.102324	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H-2H2O"	-35.012676
"1396914"	211.1123	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H-H2O"	-17.0027
"297693"	457.237276	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H"	1.007276
"681364"	685.352276	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H"	1.007276
"1356620"	229.122276	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H"	1.007276
"130603"	229.122276	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2H"	2.014552
"570165"	343.179776	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2H"	2.014552
"1046617"	115.064776	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2H"	2.014552
"211236"	153.083942666667	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+3H"	3.021828
"654086"	229.122276	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+3H"	3.021828
"1167105"	77.0456093333333	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+3H"	3.021828
"428920"	474.263823	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+NH4"	18.033823
"792106"	702.378823	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+NH4"	18.033823
"1688437"	246.148823	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+NH4"	18.033823
"334528"	237.6355495	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H+NH4"	19.041099
"734613"	351.6930495	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H+NH4"	19.041099
"1487339"	123.5780495	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+NH4"	19.041099
"405655"	479.219218	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Na"	22.989218
"760456"	707.334218	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+Na"	22.989218
"1616207"	251.104218	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na"	22.989218
"326243"	240.113247	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H+Na"	23.996494
"711014"	354.170747	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H+Na"	23.996494
"1463012"	126.055747	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+Na"	23.996494
"1054794"	84.3729233333333	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2H+Na"	25.00377
"1258421"	261.148486	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+CH3OH+H"	33.033486
"379421"	495.193158	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+K"	38.963158
"740173"	723.308158	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+K"	38.963158
"1541383"	267.078158	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K"	38.963158
"300014"	248.100217	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+H+K"	39.970434
"694623"	362.157717	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+H+K"	39.970434
"1448444"	134.042717	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+K"	39.970434
"238139"	498.263826	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+ACN+H"	42.033826
"1211576"	270.148826	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+ACN+H"	42.033826
"1203120"	135.578051	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+ACN+2H"	43.041102
"197086"	501.20116	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2Na-H"	44.97116
"632271"	729.31616	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2Na-H"	44.97116
"1139057"	273.08616	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2Na-H"	44.97116
"179068"	251.104218	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2Na"	45.978436
"624825"	365.161718	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2Na"	45.978436
"1124320"	137.046718	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2Na"	45.978436
"1407843"	91.7002373333333	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+2Na"	46.985712
"1437772"	275.127746	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+HCOOH"	47.012746
"223094"	256.13724	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+3H2O+2H"	56.04448
"1513344"	289.17979	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+IsoProp+H"	61.06479
"411935"	259.091188	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+Na+K"	61.952376
"772205"	373.148688	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+Na+K"	61.952376
"1670357"	145.033688	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na+K"	61.952376
"259064"	520.245768	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+ACN+Na"	64.015768
"1230683"	292.130768	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+ACN+Na"	64.015768
"1720661"	292.154293	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+NH4+HCOOH"	64.039293
"1193793"	99.0275513333333	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+3Na"	68.967654
"1652262"	297.109688	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na+HCOOH"	68.994688
"162777"	533.14904	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2K-H"	76.91904
"597962"	761.26404	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2K-H"	76.91904
"1089034"	305.03404	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2K-H"	76.91904
"154606"	267.078158	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"2M+2K"	77.926316
"595869"	381.135658	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"3M+2K"	77.926316
"1080870"	153.020658	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2K"	77.926316
"1113714"	307.048592	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2K+H"	78.933592
"1348643"	307.136207	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+DMSO+H"	79.021207
"1017903"	311.175376	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2ACN+H"	83.060376
"1536028"	312.169008	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+IsoProp+Na+H"	84.054008
"1000287"	156.091326	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+2ACN+2H"	84.067652
"1598076"	313.083628	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K+HCOOH"	84.968628
"1427015"	343.115138	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+H+CF3COOH"	115.000138
"1158395"	176.604601	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+3ACN+2H"	125.094202
"1707946"	360.141685	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+NH4+CF3COOH"	132.026685
"1649835"	365.09708	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+Na+CF3COOH"	136.98208
"1575966"	381.07102	"C15210"	"11-Bis(4-hydroxyphenyl)propane"	"C15H16O2"	"228.115"	"M+K+CF3COOH"	152.95602
"806332"	284.1776	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M"	0
"979868"	265.15921	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-H2O-H"	-19.01839
"67014"	188.444457333333	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M-3H"	-3.021828
"505480"	283.170324	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M-3H"	-3.021828
"881460"	93.7185906666667	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-3H"	-3.021828
"1366"	283.170324	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M-2H"	-2.014552
"442512"	425.259124	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M-2H"	-2.014552
"819947"	141.081524	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-2H"	-2.014552
"83584"	567.347924	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M-H"	-1.007276
"523146"	851.525524	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M-H"	-1.007276
"904226"	283.170324	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-H"	-1.007276
"59696"	584.374471	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M-2H+NH4"	16.019271
"499256"	868.552071	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M-2H+NH4"	16.019271
"872684"	300.196871	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-2H+NH4"	16.019271
"39491"	589.329866	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M-2H+Na"	20.974666
"480147"	873.507466	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M-2H+Na"	20.974666
"854670"	305.152266	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-2H+Na"	20.974666
"1626389"	305.152266	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Na-2H"	20.974666
"102919"	301.158663	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M-H+Cl"	33.962126
"545760"	443.247463	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M-H+Cl"	33.962126
"934171"	159.069863	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-H+Cl"	33.962126
"270182"	603.324602	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+Cl"	34.969402
"663696"	887.502202	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+Cl"	34.969402
"1277193"	319.147002	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Cl"	34.969402
"21937"	605.303806	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M-2H+K"	36.948606
"460407"	889.481406	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M-2H+K"	36.948606
"847326"	321.126206	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-2H+K"	36.948606
"1571282"	321.126206	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+K-2H"	36.948606
"958222"	329.175794	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-H+HCOOH"	44.998194
"377047"	613.353401	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+HCOOH-H"	44.998201
"360202"	627.369051	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+Hac-H"	59.013851
"1507940"	343.191451	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Hac-H"	59.013851
"973776"	351.157751	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-H+NaCOOH"	66.980151
"123899"	319.147002	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+2Cl"	69.938804
"562363"	461.235802	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+2Cl"	69.938804
"1029703"	177.058202	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2Cl"	69.938804
"1253653"	363.096485	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Br"	78.918885
"1316831"	365.152472	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Cl+HCOOH"	80.974872
"1335493"	387.134429	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Cl+NaCOOH"	102.956829
"925750"	397.163186	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M-H+CF3COOH"	112.985586
"1300999"	433.139864	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Cl+CF3COOH"	148.962264
"1375151"	249.164924	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H-2H2O"	-35.012676
"1398081"	267.1749	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H-H2O"	-17.0027
"297073"	569.362476	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+H"	1.007276
"680380"	853.540076	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+H"	1.007276
"1356731"	285.184876	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H"	1.007276
"130713"	285.184876	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+2H"	2.014552
"572460"	427.273676	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+2H"	2.014552
"1047821"	143.096076	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2H"	2.014552
"216814"	190.459009333333	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+3H"	3.021828
"654925"	285.184876	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+3H"	3.021828
"1164662"	95.7331426666667	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+3H"	3.021828
"426844"	586.389023	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+NH4"	18.033823
"791122"	870.566623	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+NH4"	18.033823
"1684536"	302.211423	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+NH4"	18.033823
"336825"	293.6981495	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+H+NH4"	19.041099
"736547"	435.7869495	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+H+NH4"	19.041099
"1490730"	151.6093495	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H+NH4"	19.041099
"407957"	591.344418	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+Na"	22.989218
"760566"	875.522018	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+Na"	22.989218
"1616317"	307.166818	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Na"	22.989218
"329833"	296.175847	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+H+Na"	23.996494
"712218"	438.264647	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+H+Na"	23.996494
"1463485"	154.087047	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H+Na"	23.996494
"1058191"	103.060456666667	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2H+Na"	25.00377
"1257685"	317.211086	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+CH3OH+H"	33.033486
"378808"	607.318358	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+K"	38.963158
"741626"	891.495958	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+K"	38.963158
"1541855"	323.140758	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+K"	38.963158
"301948"	304.162817	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+H+K"	39.970434
"695462"	446.251617	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+H+K"	39.970434
"1450377"	162.074017	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H+K"	39.970434
"235845"	610.389026	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+ACN+H"	42.033826
"1214969"	326.211426	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+ACN+H"	42.033826
"1204323"	163.609351	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+ACN+2H"	43.041102
"199382"	613.32636	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+2Na-H"	44.97116
"632381"	897.50396	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+2Na-H"	44.97116
"1133698"	329.14876	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2Na-H"	44.97116
"175897"	307.166818	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+2Na"	45.978436
"624570"	449.255618	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+2Na"	45.978436
"1125524"	165.078018	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2Na"	45.978436
"1407954"	110.387770666667	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H+2Na"	46.985712
"1437883"	331.190346	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H+HCOOH"	47.012746
"228671"	312.19984	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+3H2O+2H"	56.04448
"1517827"	345.24239	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+IsoProp+H"	61.06479
"414233"	315.153788	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+Na+K"	61.952376
"777417"	457.242588	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+Na+K"	61.952376
"1673017"	173.064988	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Na+K"	61.952376
"260268"	632.370968	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+ACN+Na"	64.015768
"1232980"	348.193368	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+ACN+Na"	64.015768
"1727334"	348.216893	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+NH4+HCOOH"	64.039293
"1193415"	117.715084666667	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+3Na"	68.967654
"1655652"	353.172288	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Na+HCOOH"	68.994688
"162887"	645.27424	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+2K-H"	76.91904
"602444"	929.45184	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+2K-H"	76.91904
"1090237"	361.09664	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2K-H"	76.91904
"155812"	323.140758	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"2M+2K"	77.926316
"595011"	465.229558	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"3M+2K"	77.926316
"1078792"	181.051958	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2K"	77.926316
"1113092"	363.111192	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2K+H"	78.933592
"1346201"	363.198807	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+DMSO+H"	79.021207
"1018013"	367.237976	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2ACN+H"	83.060376
"1536140"	368.231608	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+IsoProp+Na+H"	84.054008
"1002222"	184.122626	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+2ACN+2H"	84.067652
"1598185"	369.146228	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+K+HCOOH"	84.968628
"1429312"	399.177738	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+H+CF3COOH"	115.000138
"1159599"	204.635901	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+3ACN+2H"	125.094202
"1703681"	416.204285	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+NH4+CF3COOH"	132.026685
"1643706"	421.15968	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+Na+CF3COOH"	136.98208
"1576076"	437.13362	"C15211"	"44-Bis(4-hydroxyphenyl)heptane"	"C19H24O2"	"284.1776"	"M+K+CF3COOH"	152.95602
"811910"	271.9562	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M"	0
"979248"	252.93781	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H2O-H"	-19.01839
"64208"	180.296857333333	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-3H"	-3.021828
"502860"	270.948924	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-3H"	-3.021828
"880023"	89.6447906666667	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-3H"	-3.021828
"41"	270.948924	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H"	-2.014552
"440476"	406.927024	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H"	-2.014552
"817506"	134.970824	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H"	-2.014552
"78788"	542.905124	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-H"	-1.007276
"519976"	814.861324	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-H"	-1.007276
"902150"	270.948924	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H"	-1.007276
"53246"	559.931671	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H+NH4"	16.019271
"497179"	831.887871	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H+NH4"	16.019271
"872793"	287.975471	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H+NH4"	16.019271
"39602"	564.887066	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H+Na"	20.974666
"479164"	836.843266	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H+Na"	20.974666
"854779"	292.930866	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H+Na"	20.974666
"1628686"	292.930866	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na-2H"	20.974666
"108132"	288.937263	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-H+Cl"	33.962126
"546963"	424.915363	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-H+Cl"	33.962126
"939020"	152.959163	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+Cl"	33.962126
"271385"	578.881802	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Cl"	34.969402
"663806"	850.838002	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+Cl"	34.969402
"1276209"	306.925602	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl"	34.969402
"20954"	580.861006	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M-2H+K"	36.948606
"460517"	852.817206	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M-2H+K"	36.948606
"846707"	308.904806	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-2H+K"	36.948606
"1570934"	308.904806	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K-2H"	36.948606
"958436"	316.954394	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+HCOOH"	44.998194
"376792"	588.910601	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+HCOOH-H"	44.998201
"361396"	602.926251	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Hac-H"	59.013851
"1508254"	330.970051	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Hac-H"	59.013851
"973515"	338.936351	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+NaCOOH"	66.980151
"124008"	306.925602	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2Cl"	69.938804
"564294"	442.903702	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2Cl"	69.938804
"1031999"	170.947502	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2Cl"	69.938804
"1253764"	350.875085	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Br"	78.918885
"1316941"	352.931072	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl+HCOOH"	80.974872
"1335484"	374.913029	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl+NaCOOH"	102.956829
"923307"	384.941786	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M-H+CF3COOH"	112.985586
"1300381"	420.918464	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Cl+CF3COOH"	148.962264
"1376354"	236.943524	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H-2H2O"	-35.012676
"1397499"	254.9535	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H-H2O"	-17.0027
"297183"	544.919676	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H"	1.007276
"682677"	816.875876	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H"	1.007276
"1357934"	272.963476	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H"	1.007276
"129730"	272.963476	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2H"	2.014552
"575852"	408.941576	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2H"	2.014552
"1049024"	136.985376	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2H"	2.014552
"216924"	182.311409333333	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+3H"	3.021828
"655035"	272.963476	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+3H"	3.021828
"1164046"	91.6593426666667	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+3H"	3.021828
"425861"	561.946223	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+NH4"	18.033823
"791232"	833.902423	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+NH4"	18.033823
"1685375"	289.990023	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+NH4"	18.033823
"336935"	281.4767495	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H+NH4"	19.041099
"729358"	417.4548495	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H+NH4"	19.041099
"1490841"	145.4986495	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+NH4"	19.041099
"407905"	566.901618	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Na"	22.989218
"760676"	838.857818	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+Na"	22.989218
"1617400"	294.945418	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na"	22.989218
"329502"	283.954447	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H+Na"	23.996494
"712328"	419.932547	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H+Na"	23.996494
"1463962"	147.976347	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+Na"	23.996494
"1058301"	98.9866566666667	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2H+Na"	25.00377
"1259614"	304.989686	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+CH3OH+H"	33.033486
"381838"	582.875558	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+K"	38.963158
"739674"	854.831758	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+K"	38.963158
"1541966"	310.919358	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K"	38.963158
"301329"	291.941417	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+H+K"	39.970434
"695573"	427.919517	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+H+K"	39.970434
"1449758"	155.963317	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+K"	39.970434
"237995"	585.946226	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+ACN+H"	42.033826
"1210335"	313.990026	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+ACN+H"	42.033826
"1201153"	157.498651	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+ACN+2H"	43.041102
"196212"	588.88356	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2Na-H"	44.97116
"633584"	860.83976	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2Na-H"	44.97116
"1131985"	316.92736	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2Na-H"	44.97116
"183661"	294.945418	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2Na"	45.978436
"626867"	430.923518	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2Na"	45.978436
"1129279"	158.967318	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2Na"	45.978436
"1403689"	106.313970666667	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+2Na"	46.985712
"1443460"	318.968946	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+HCOOH"	47.012746
"226595"	299.97844	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+3H2O+2H"	56.04448
"1514658"	333.02099	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+IsoProp+H"	61.06479
"418718"	302.932388	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+Na+K"	61.952376
"777528"	438.910488	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+Na+K"	61.952376
"1674952"	166.954288	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na+K"	61.952376
"262564"	607.928168	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+ACN+Na"	64.015768
"1235277"	335.971968	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+ACN+Na"	64.015768
"1727808"	335.995493	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+NH4+HCOOH"	64.039293
"1192796"	113.641284666667	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+3Na"	68.967654
"1655039"	340.950888	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na+HCOOH"	68.994688
"159712"	620.83144	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2K-H"	76.91904
"600728"	892.78764	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2K-H"	76.91904
"1089254"	348.87524	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2K-H"	76.91904
"148260"	310.919358	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"2M+2K"	77.926316
"596214"	446.897458	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"3M+2K"	77.926316
"1081085"	174.941258	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2K"	77.926316
"1113201"	350.889792	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2K+H"	78.933592
"1346309"	350.977407	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+DMSO+H"	79.021207
"1014843"	355.016576	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2ACN+H"	83.060376
"1536253"	356.010208	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+IsoProp+Na+H"	84.054008
"1001603"	178.011926	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+2ACN+2H"	84.067652
"1598295"	356.924828	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K+HCOOH"	84.968628
"1428330"	386.956338	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+H+CF3COOH"	115.000138
"1161897"	198.525201	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+3ACN+2H"	125.094202
"1705978"	403.982885	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+NH4+CF3COOH"	132.026685
"1641628"	408.93828	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+Na+CF3COOH"	136.98208
"1576186"	424.91222	"C15212"	"225-Trichloro-4-hydroxybiphenyl"	"C12H7Cl3O"	"271.9562"	"M+K+CF3COOH"	152.95602
"809833"	407.8004	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M"	0
"976806"	388.78201	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H2O-H"	-19.01839
"63097"	270.859657333333	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-3H"	-3.021828
"502987"	406.793124	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-3H"	-3.021828
"880080"	134.926190666667	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-3H"	-3.021828
"24"	406.793124	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H"	-2.014552
"440546"	610.693324	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H"	-2.014552
"817252"	202.892924	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H"	-2.014552
"78752"	814.593524	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-H"	-1.007276
"523367"	1222.393924	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-H"	-1.007276
"901167"	406.793124	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H"	-1.007276
"48616"	831.620071	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H+NH4"	16.019271
"490730"	1239.420471	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H+NH4"	16.019271
"866708"	423.819671	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H+NH4"	16.019271
"39713"	836.575466	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H+Na"	20.974666
"482554"	1244.375866	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H+Na"	20.974666
"857076"	428.775066	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H+Na"	20.974666
"1628797"	428.775066	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na-2H"	20.974666
"106418"	424.781463	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-H+Cl"	33.962126
"545979"	628.681663	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-H+Cl"	33.962126
"938401"	220.881263	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+Cl"	33.962126
"271495"	850.570202	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Cl"	34.969402
"660388"	1258.370602	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+Cl"	34.969402
"1278508"	442.769802	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl"	34.969402
"21064"	852.549406	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M-2H+K"	36.948606
"463908"	1260.349806	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M-2H+K"	36.948606
"846817"	444.749006	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-2H+K"	36.948606
"1570310"	444.749006	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K-2H"	36.948606
"958336"	452.798594	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+HCOOH"	44.998194
"377020"	860.599001	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+HCOOH-H"	44.998201
"361310"	874.614651	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Hac-H"	59.013851
"1508350"	466.814251	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Hac-H"	59.013851
"972658"	474.780551	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+NaCOOH"	66.980151
"124728"	442.769802	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2Cl"	69.938804
"564285"	646.670002	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2Cl"	69.938804
"1029924"	238.869602	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2Cl"	69.938804
"1250595"	486.719285	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Br"	78.918885
"1310854"	488.775272	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl+HCOOH"	80.974872
"1327255"	510.757229	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl+NaCOOH"	102.956829
"919411"	520.785986	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M-H+CF3COOH"	112.985586
"1295025"	556.762664	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Cl+CF3COOH"	148.962264
"1374277"	372.787724	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H-2H2O"	-35.012676
"1390679"	390.7977	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H-H2O"	-17.0027
"295470"	816.608076	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H"	1.007276
"679507"	1224.408476	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H"	1.007276
"1355858"	408.807676	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H"	1.007276
"132029"	408.807676	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2H"	2.014552
"569400"	612.707876	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2H"	2.014552
"1043667"	204.907476	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2H"	2.014552
"210474"	272.874209333333	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+3H"	3.021828
"654416"	408.807676	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+3H"	3.021828
"1163791"	136.940742666667	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+3H"	3.021828
"430345"	833.634623	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+NH4"	18.033823
"788061"	1241.435023	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+NH4"	18.033823
"1684392"	425.834223	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+NH4"	18.033823
"335953"	417.3209495	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H+NH4"	19.041099
"730561"	621.2211495	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H+NH4"	19.041099
"1491681"	213.4207495	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+NH4"	19.041099
"406354"	838.590018	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Na"	22.989218
"757507"	1246.390418	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+Na"	22.989218
"1609978"	430.789618	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na"	22.989218
"327547"	419.798647	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H+Na"	23.996494
"720091"	623.698847	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H+Na"	23.996494
"1465164"	215.898447	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+Na"	23.996494
"1054400"	144.268056666667	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2H+Na"	25.00377
"1258995"	440.833886	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+CH3OH+H"	33.033486
"380855"	854.563958	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+K"	38.963158
"740026"	1262.364358	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+K"	38.963158
"1541712"	446.763558	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K"	38.963158
"301075"	427.785617	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+H+K"	39.970434
"693496"	631.685817	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+H+K"	39.970434
"1450597"	223.885417	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+K"	39.970434
"241386"	857.634626	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+ACN+H"	42.033826
"1214096"	449.834226	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+ACN+H"	42.033826
"1202356"	225.420751	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+ACN+2H"	43.041102
"194136"	860.57196	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2Na-H"	44.97116
"636975"	1268.37236	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2Na-H"	44.97116
"1139387"	452.77156	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2Na-H"	44.97116
"181586"	430.789618	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2Na"	45.978436
"622240"	634.689818	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2Na"	45.978436
"1128297"	226.889418	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2Na"	45.978436
"1403799"	151.595370666667	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+2Na"	46.985712
"1441384"	454.813146	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+HCOOH"	47.012746
"231080"	435.82264	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+3H2O+2H"	56.04448
"1516955"	468.86519	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+IsoProp+H"	61.06479
"419922"	438.776588	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+Na+K"	61.952376
"780919"	642.676788	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+Na+K"	61.952376
"1673969"	234.876388	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na+K"	61.952376
"264862"	879.616568	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+ACN+Na"	64.015768
"1233200"	471.816168	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+ACN+Na"	64.015768
"1718806"	471.839693	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+NH4+HCOOH"	64.039293
"1189626"	158.922684666667	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+3Na"	68.967654
"1654056"	476.795088	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na+HCOOH"	68.994688
"159457"	892.51984	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2K-H"	76.91904
"600474"	1300.32024	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2K-H"	76.91904
"1087178"	484.71944	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2K-H"	76.91904
"148370"	446.763558	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"2M+2K"	77.926316
"596204"	650.663758	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"3M+2K"	77.926316
"1080102"	242.863358	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2K"	77.926316
"1112218"	486.733992	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2K+H"	78.933592
"1345326"	486.821607	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+DMSO+H"	79.021207
"1018232"	490.860776	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2ACN+H"	83.060376
"1536356"	491.854408	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+IsoProp+Na+H"	84.054008
"1000620"	245.934026	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+2ACN+2H"	84.067652
"1599496"	492.769028	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K+HCOOH"	84.968628
"1429046"	522.800538	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+H+CF3COOH"	115.000138
"1160548"	266.447301	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+3ACN+2H"	125.094202
"1707180"	539.827085	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+NH4+CF3COOH"	132.026685
"1641738"	544.78248	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+Na+CF3COOH"	136.98208
"1576296"	560.75642	"C15213"	"2234455-Heptachloro-3-biphenylol"	"C12H3Cl7O"	"407.8004"	"M+K+CF3COOH"	152.95602
"809943"	287.8601	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M"	0
"978009"	268.84171	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-H2O-H"	-19.01839
"63327"	190.899457333333	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M-3H"	-3.021828
"505810"	286.852824	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M-3H"	-3.021828
"880441"	94.9460906666666	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-3H"	-3.021828
"838"	286.852824	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H"	-2.014552
"443939"	430.782874	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H"	-2.014552
"817481"	142.922774	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H"	-2.014552
"80387"	574.712924	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M-H"	-1.007276
"519707"	862.573024	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M-H"	-1.007276
"897510"	286.852824	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-H"	-1.007276
"60025"	591.739471	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H+NH4"	16.019271
"490840"	879.599571	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H+NH4"	16.019271
"873014"	303.879371	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H+NH4"	16.019271
"39822"	596.694866	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H+Na"	20.974666
"477196"	884.554966	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H+Na"	20.974666
"858281"	308.834766	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H+Na"	20.974666
"1627814"	308.834766	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na-2H"	20.974666
"101062"	304.841163	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M-H+Cl"	33.962126
"544997"	448.771213	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M-H+Cl"	33.962126
"939604"	160.911113	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+Cl"	33.962126
"270513"	610.689602	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Cl"	34.969402
"665123"	898.549702	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+Cl"	34.969402
"1282995"	322.829502	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl"	34.969402
"26646"	612.668806	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M-2H+K"	36.948606
"468395"	900.528906	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M-2H+K"	36.948606
"846321"	324.808706	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-2H+K"	36.948606
"1570668"	324.808706	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+K-2H"	36.948606
"957577"	332.858294	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+HCOOH"	44.998194
"376157"	620.718401	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+HCOOH-H"	44.998201
"361012"	634.734051	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Hac-H"	59.013851
"1505591"	346.873951	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Hac-H"	59.013851
"973383"	354.840251	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+NaCOOH"	66.980151
"125205"	322.829502	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2Cl"	69.938804
"561232"	466.759552	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2Cl"	69.938804
"1027845"	178.899452	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2Cl"	69.938804
"1251796"	366.778985	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Br"	78.918885
"1312057"	368.834972	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl+HCOOH"	80.974872
"1328457"	390.816929	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl+NaCOOH"	102.956829
"917331"	400.845686	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M-H+CF3COOH"	112.985586
"1294039"	436.822364	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Cl+CF3COOH"	148.962264
"1375479"	252.847424	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H-2H2O"	-35.012676
"1390789"	270.8574	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H-H2O"	-17.0027
"285493"	576.727476	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H"	1.007276
"679254"	864.587576	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H"	1.007276
"1353781"	288.867376	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H"	1.007276
"128129"	288.867376	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2H"	2.014552
"569510"	432.797426	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2H"	2.014552
"1041592"	144.937326	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2H"	2.014552
"207305"	192.914009333333	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+3H"	3.021828
"655255"	288.867376	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+3H"	3.021828
"1174112"	96.9606426666667	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+3H"	3.021828
"426082"	593.754023	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+NH4"	18.033823
"787076"	881.614123	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+NH4"	18.033823
"1691066"	305.893923	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+NH4"	18.033823
"341532"	297.3806495	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H+NH4"	19.041099
"735056"	441.3106995	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H+NH4"	19.041099
"1489969"	153.4505995	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+NH4"	19.041099
"406098"	598.709418	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Na"	22.989218
"766366"	886.569518	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+Na"	22.989218
"1606809"	310.849318	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na"	22.989218
"323406"	299.858347	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H+Na"	23.996494
"718015"	443.788397	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H+Na"	23.996494
"1463817"	155.928297	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+Na"	23.996494
"1057430"	104.287956666667	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2H+Na"	25.00377
"1258498"	320.893586	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+CH3OH+H"	33.033486
"380965"	614.683358	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+K"	38.963158
"738674"	902.543458	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+K"	38.963158
"1540850"	326.823258	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+K"	38.963158
"300090"	307.845317	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+H+K"	39.970434
"693607"	451.775367	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+H+K"	39.970434
"1450709"	163.915267	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+K"	39.970434
"240404"	617.754026	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+ACN+H"	42.033826
"1215302"	329.893926	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+ACN+H"	42.033826
"1199186"	165.450601	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+ACN+2H"	43.041102
"195339"	620.69136	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2Na-H"	44.97116
"634171"	908.55146	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2Na-H"	44.97116
"1140593"	332.83126	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2Na-H"	44.97116
"181696"	310.849318	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2Na"	45.978436
"624172"	454.779368	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2Na"	45.978436
"1125854"	166.919268	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2Na"	45.978436
"1407191"	111.615270666667	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+2Na"	46.985712
"1438214"	334.872846	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+HCOOH"	47.012746
"229003"	315.88234	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+3H2O+2H"	56.04448
"1514879"	348.92489	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+IsoProp+H"	61.06479
"415658"	318.836288	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+Na+K"	61.952376
"777748"	462.766338	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+Na+K"	61.952376
"1676269"	174.906238	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na+K"	61.952376
"262060"	639.735968	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+ACN+Na"	64.015768
"1232219"	351.875868	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+ACN+Na"	64.015768
"1717823"	351.899393	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+NH4+HCOOH"	64.039293
"1186456"	118.942584666667	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+3Na"	68.967654
"1655260"	356.854788	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na+HCOOH"	68.994688
"163214"	652.63924	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2K-H"	76.91904
"599489"	940.49934	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2K-H"	76.91904
"1089476"	364.77914	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2K-H"	76.91904
"150668"	326.823258	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"2M+2K"	77.926316
"595578"	470.753308	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"3M+2K"	77.926316
"1082277"	182.893208	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2K"	77.926316
"1106859"	366.793692	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2K+H"	78.933592
"1347623"	366.881307	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+DMSO+H"	79.021207
"1016886"	370.920476	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2ACN+H"	83.060376
"1535373"	371.914108	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+IsoProp+Na+H"	84.054008
"1001820"	185.963876	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+2ACN+2H"	84.067652
"1599606"	372.828728	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+K+HCOOH"	84.968628
"1429482"	402.860238	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+H+CF3COOH"	115.000138
"1159930"	206.477151	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+3ACN+2H"	125.094202
"1706198"	419.886785	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+NH4+CF3COOH"	132.026685
"1644035"	424.84218	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+Na+CF3COOH"	136.98208
"1573126"	440.81612	"C15214"	"alpha-Hexachlorocyclohexane;alpha-HCH;1alpha2alpha3beta4alpha5beta6beta-Hexachlorocyclohexane;alpha-Lindane"	"C6H6Cl6"	"287.8601"	"M+K+CF3COOH"	152.95602
"803492"	270.162	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M"	0
"977027"	251.14361	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-H2O-H"	-19.01839
"63442"	179.100724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M-3H"	-3.021828
"505920"	269.154724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M-3H"	-3.021828
"880675"	89.046724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-3H"	-3.021828
"468"	269.154724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M-2H"	-2.014552
"444048"	404.235724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M-2H"	-2.014552
"818078"	134.073724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-2H"	-2.014552
"80013"	539.316724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M-H"	-1.007276
"520669"	809.478724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M-H"	-1.007276
"898834"	269.154724	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-H"	-1.007276
"60135"	556.343271	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M-2H+NH4"	16.019271
"494229"	826.505271	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M-2H+NH4"	16.019271
"873124"	286.181271	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-2H+NH4"	16.019271
"36653"	561.298666	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M-2H+Na"	20.974666
"480586"	831.460666	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M-2H+Na"	20.974666
"858391"	291.136666	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-2H+Na"	20.974666
"1629017"	291.136666	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Na-2H"	20.974666
"104452"	287.143063	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M-H+Cl"	33.962126
"545106"	422.224063	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M-H+Cl"	33.962126
"937528"	152.062063	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-H+Cl"	33.962126
"269529"	575.293402	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+Cl"	34.969402
"666326"	845.455402	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+Cl"	34.969402
"1283105"	305.131402	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Cl"	34.969402
"27849"	577.272606	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M-2H+K"	36.948606
"469598"	847.434606	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M-2H+K"	36.948606
"847403"	307.110606	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-2H+K"	36.948606
"1570052"	307.110606	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+K-2H"	36.948606
"958056"	315.160194	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-H+HCOOH"	44.998194
"376272"	585.322201	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+HCOOH-H"	44.998201
"360029"	599.337851	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+Hac-H"	59.013851
"1505337"	329.175851	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Hac-H"	59.013851
"973492"	337.142151	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-H+NaCOOH"	66.980151
"125698"	305.131402	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+2Cl"	69.938804
"561342"	440.212402	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+2Cl"	69.938804
"1031234"	170.050402	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2Cl"	69.938804
"1252271"	349.080885	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Br"	78.918885
"1312166"	351.136872	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Cl+HCOOH"	80.974872
"1327473"	373.118829	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Cl+NaCOOH"	102.956829
"917441"	383.147586	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M-H+CF3COOH"	112.985586
"1291964"	419.124264	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Cl+CF3COOH"	148.962264
"1372309"	235.149324	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H-2H2O"	-35.012676
"1388713"	253.1593	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H-H2O"	-17.0027
"285482"	541.331276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+H"	1.007276
"678636"	811.493276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+H"	1.007276
"1357174"	271.169276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H"	1.007276
"130063"	271.169276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+2H"	2.014552
"569984"	406.250276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+2H"	2.014552
"1042795"	136.088276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2H"	2.014552
"208508"	181.115276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+3H"	3.021828
"652449"	271.169276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+3H"	3.021828
"1171668"	91.061276	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+3H"	3.021828
"425462"	558.357823	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+NH4"	18.033823
"785889"	828.519823	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+NH4"	18.033823
"1694457"	288.195823	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+NH4"	18.033823
"343464"	279.6825495	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+H+NH4"	19.041099
"735164"	414.7635495	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+H+NH4"	19.041099
"1490805"	144.6015495	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H+NH4"	19.041099
"407663"	563.313218	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+Na"	22.989218
"769347"	833.475218	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+Na"	22.989218
"1613479"	293.151218	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Na"	22.989218
"327890"	282.160247	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+H+Na"	23.996494
"714845"	417.241247	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+H+Na"	23.996494
"1464291"	147.079247	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H+Na"	23.996494
"1060821"	98.38859	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2H+Na"	25.00377
"1258489"	303.195486	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+CH3OH+H"	33.033486
"378884"	579.287158	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+K"	38.963158
"740003"	849.449158	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+K"	38.963158
"1540595"	309.125158	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+K"	38.963158
"299593"	290.147217	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+H+K"	39.970434
"696997"	425.228217	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+H+K"	39.970434
"1448632"	155.066217	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H+K"	39.970434
"240514"	582.357826	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+ACN+H"	42.033826
"1215411"	312.195826	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+ACN+H"	42.033826
"1199294"	156.601551	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+ACN+2H"	43.041102
"192167"	585.29516	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+2Na-H"	44.97116
"631728"	855.45716	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+2Na-H"	44.97116
"1134140"	315.13316	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2Na-H"	44.97116
"179617"	293.151218	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+2Na"	45.978436
"622458"	428.232218	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+2Na"	45.978436
"1125963"	158.070218	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2Na"	45.978436
"1402198"	105.715904	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H+2Na"	46.985712
"1436137"	317.174746	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H+HCOOH"	47.012746
"226926"	298.18424	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+3H2O+2H"	56.04448
"1518269"	331.22679	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+IsoProp+H"	61.06479
"411395"	301.138188	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+Na+K"	61.952376
"775672"	436.219188	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+Na+K"	61.952376
"1676379"	166.057188	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Na+K"	61.952376
"261806"	604.339768	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+ACN+Na"	64.015768
"1229411"	334.177768	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+ACN+Na"	64.015768
"1717932"	334.201293	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+NH4+HCOOH"	64.039293
"1188389"	113.043218	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+3Na"	68.967654
"1657552"	339.156688	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Na+HCOOH"	68.994688
"163324"	617.24304	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+2K-H"	76.91904
"599964"	887.40504	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+2K-H"	76.91904
"1089586"	347.08104	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2K-H"	76.91904
"147494"	309.125158	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"2M+2K"	77.926316
"587057"	444.206158	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"3M+2K"	77.926316
"1075943"	174.044158	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2K"	77.926316
"1105876"	349.095592	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2K+H"	78.933592
"1344451"	349.183207	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+DMSO+H"	79.021207
"1016632"	353.222376	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2ACN+H"	83.060376
"1536574"	354.216008	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+IsoProp+Na+H"	84.054008
"1000836"	177.114826	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+2ACN+2H"	84.067652
"1599716"	355.130628	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+K+HCOOH"	84.968628
"1429825"	385.162138	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+H+CF3COOH"	115.000138
"1161863"	197.628101	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+3ACN+2H"	125.094202
"1707403"	402.188685	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+NH4+CF3COOH"	132.026685
"1640866"	407.14408	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+Na+CF3COOH"	136.98208
"1576516"	423.11802	"C15215"	"3-Hydroxyestra-135(10)-trien-16-one"	"C18H22O2"	"270.162"	"M+K+CF3COOH"	152.95602
"803602"	302.1882	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M"	0
"975436"	283.16981	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"62860"	200.451524	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"504936"	301.180924	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"880305"	99.722124	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"37"	301.180924	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"440033"	452.275024	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"817165"	150.086824	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"79514"	603.369124	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"520777"	905.557324	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"902591"	301.180924	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"59152"	620.395671	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"492152"	922.583871	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"872141"	318.207471	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"36763"	625.351066	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"479603"	927.539266	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"860687"	323.162866	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1626939"	323.162866	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"106748"	319.169263	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"541935"	470.263363	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"935450"	168.075163	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"267690"	639.345802	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"665342"	941.534002	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1283215"	337.157602	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"26866"	641.325006	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"470072"	943.513206	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"847876"	339.136806	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1571008"	339.136806	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"957921"	347.186394	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"376014"	649.374601	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"360139"	663.390251	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1505082"	361.202051	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"971166"	369.168351	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"124448"	337.157602	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"563644"	488.251702	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1030250"	186.063502	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1250558"	381.107085	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1311183"	383.163072	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1326491"	405.145029	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"916458"	415.173786	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1294261"	451.150464	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1374606"	267.175524	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1388823"	285.1855	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"285228"	605.383676	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"677654"	907.571876	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1359836"	303.195476	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"132360"	303.195476	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"570095"	454.289576	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1039990"	152.101376	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"206431"	202.466076	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"651466"	303.195476	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1171778"	101.736676	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"427396"	622.410223	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"786325"	924.598423	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1694567"	320.222023	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"340658"	311.7087495	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"736005"	462.8028495	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1490915"	160.6146495	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"407776"	627.365618	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"768403"	929.553818	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1616870"	325.177418	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"325814"	314.186447	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"713862"	465.280547	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1464399"	163.092347	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1054734"	109.06399	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1259323"	335.221686	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"378263"	643.339558	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"739378"	945.527758	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1542042"	341.151358	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"300312"	322.173417	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"697107"	473.267517	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1452023"	171.079317	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"239531"	646.410226	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1217709"	344.222026	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1196246"	172.614651	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"192277"	649.34756	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"629040"	951.53576	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1133521"	347.15936	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"173893"	325.177418	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"616371"	476.271518	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1122793"	174.083318	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1401214"	116.391304	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1433331"	349.200946	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"223755"	330.21044	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1512181"	363.25299	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"409681"	333.164388	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"775782"	484.258488	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1674301"	182.070288	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"262280"	668.392168	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1231344"	366.203968	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1718042"	366.227493	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1186676"	123.718618	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1655839"	371.182888	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"162341"	681.29544	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"598979"	983.48364	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1089696"	379.10724	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"146512"	341.151358	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"586074"	492.245458	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1076053"	190.057258	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1105986"	381.121792	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1346749"	381.209407	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1017835"	385.248576	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1534498"	386.242208	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"1000946"	193.127926	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1596546"	387.156828	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1429501"	417.188338	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1161973"	213.641201	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1706420"	434.214885	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1640976"	439.17028	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1573346"	455.14422	"C15216"	"3-Methoxyestriol;Estriol 3-methyl ether;3-Methoxyestra-135(10)-triene-16alpha17beta-diol"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"806992"	268.1827	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M"	0
"975425"	249.16431	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-H2O-H"	-19.01839
"62928"	177.781190666667	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M-3H"	-3.021828
"503953"	267.175424	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M-3H"	-3.021828
"880295"	88.3869573333333	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-3H"	-3.021828
"692"	267.175424	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M-2H"	-2.014552
"440142"	401.266774	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M-2H"	-2.014552
"818783"	133.084074	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-2H"	-2.014552
"81327"	535.358124	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M-H"	-1.007276
"521980"	803.540824	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M-H"	-1.007276
"900514"	267.175424	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-H"	-1.007276
"59262"	552.384671	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M-2H+NH4"	16.019271
"495542"	820.567371	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M-2H+NH4"	16.019271
"871157"	284.201971	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-2H+NH4"	16.019271
"40153"	557.340066	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M-2H+Na"	20.974666
"481900"	825.522766	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M-2H+Na"	20.974666
"860797"	289.157366	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-2H+Na"	20.974666
"1627049"	289.157366	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Na-2H"	20.974666
"106858"	285.163763	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M-H+Cl"	33.962126
"545326"	419.255113	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M-H+Cl"	33.962126
"939934"	151.072413	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-H+Cl"	33.962126
"267683"	571.334802	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+Cl"	34.969402
"664359"	839.517502	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+Cl"	34.969402
"1283325"	303.152102	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Cl"	34.969402
"24789"	573.314006	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M-2H+K"	36.948606
"468723"	841.496706	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M-2H+K"	36.948606
"845434"	305.131306	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-2H+K"	36.948606
"1569657"	305.131306	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+K-2H"	36.948606
"957543"	313.180894	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-H+HCOOH"	44.998194
"375638"	581.363601	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+HCOOH-H"	44.998201
"357819"	595.379251	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+Hac-H"	59.013851
"1504828"	327.196551	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Hac-H"	59.013851
"971276"	335.162851	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-H+NaCOOH"	66.980151
"121642"	303.152102	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+2Cl"	69.938804
"561202"	437.243452	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+2Cl"	69.938804
"1030360"	169.060752	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2Cl"	69.938804
"1252125"	347.101585	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Br"	78.918885
"1311292"	349.157572	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Cl+HCOOH"	80.974872
"1327694"	371.139529	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Cl+NaCOOH"	102.956829
"915476"	381.168286	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M-H+CF3COOH"	112.985586
"1293278"	417.144964	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Cl+CF3COOH"	148.962264
"1374717"	233.170024	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H-2H2O"	-35.012676
"1391120"	251.18	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H-H2O"	-17.0027
"284246"	537.372676	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+H"	1.007276
"679950"	805.555376	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+H"	1.007276
"1358853"	269.189976	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H"	1.007276
"133200"	269.189976	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+2H"	2.014552
"570935"	403.281326	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+2H"	2.014552
"1043016"	135.098626	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2H"	2.014552
"207637"	179.795742666667	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+3H"	3.021828
"647201"	269.189976	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+3H"	3.021828
"1167515"	90.4015093333334	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+3H"	3.021828
"426413"	554.399223	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+NH4"	18.033823
"785817"	822.581923	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+NH4"	18.033823
"1693584"	286.216523	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+NH4"	18.033823
"340768"	277.7032495	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+H+NH4"	19.041099
"734291"	411.7945995	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+H+NH4"	19.041099
"1487017"	143.6118995	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H+NH4"	19.041099
"406428"	559.354618	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+Na"	22.989218
"764504"	827.537318	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+Na"	22.989218
"1616980"	291.171918	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Na"	22.989218
"327018"	280.180947	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+H+Na"	23.996494
"715065"	414.272297	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+H+Na"	23.996494
"1468886"	146.089597	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H+Na"	23.996494
"1055937"	97.7288233333333	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2H+Na"	25.00377
"1261989"	301.216186	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+CH3OH+H"	33.033486
"380563"	575.328558	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+K"	38.963158
"741559"	843.511258	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+K"	38.963158
"1541788"	307.145858	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+K"	38.963158
"301516"	288.167917	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+H+K"	39.970434
"697217"	422.259267	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+H+K"	39.970434
"1447757"	154.076567	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H+K"	39.970434
"239641"	578.399226	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+ACN+H"	42.033826
"1217819"	310.216526	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+ACN+H"	42.033826
"1194447"	155.611901	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+ACN+2H"	43.041102
"193481"	581.33656	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+2Na-H"	44.97116
"628662"	849.51926	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+2Na-H"	44.97116
"1133752"	313.15386	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2Na-H"	44.97116
"173639"	291.171918	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+2Na"	45.978436
"614536"	425.263268	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+2Na"	45.978436
"1116097"	157.080568	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2Na"	45.978436
"1401325"	105.056137333333	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H+2Na"	46.985712
"1431130"	315.195446	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H+HCOOH"	47.012746
"221188"	296.20494	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+3H2O+2H"	56.04448
"1510222"	329.24749	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+IsoProp+H"	61.06479
"409303"	299.158888	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+Na+K"	61.952376
"771881"	433.250238	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+Na+K"	61.952376
"1668576"	165.067538	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Na+K"	61.952376
"258743"	600.381168	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+ACN+Na"	64.015768
"1229993"	332.198468	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+ACN+Na"	64.015768
"1718151"	332.221993	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+NH4+HCOOH"	64.039293
"1181318"	112.383451333333	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+3Na"	68.967654
"1652670"	337.177388	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Na+HCOOH"	68.994688
"160264"	613.28444	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+2K-H"	76.91904
"597997"	881.46714	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+2K-H"	76.91904
"1088713"	345.10174	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2K-H"	76.91904
"146622"	307.145858	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"2M+2K"	77.926316
"586184"	441.237208	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"3M+2K"	77.926316
"1078349"	173.054508	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2K"	77.926316
"1106096"	347.116292	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2K+H"	78.933592
"1347590"	347.203907	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+DMSO+H"	79.021207
"1019767"	351.243076	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2ACN+H"	83.060376
"1537524"	352.236708	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+IsoProp+Na+H"	84.054008
"1001056"	176.125176	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+2ACN+2H"	84.067652
"1596656"	353.151328	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+K+HCOOH"	84.968628
"1429819"	383.182838	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+H+CF3COOH"	115.000138
"1162450"	196.638451	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+3ACN+2H"	125.094202
"1708716"	400.209385	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+NH4+CF3COOH"	132.026685
"1641086"	405.16478	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+Na+CF3COOH"	136.98208
"1576736"	421.13872	"C15217"	"4-1-Ethyl-2-(4-methylphenyl)butylphenol;3-(p-Phenyl)-4-(p-tolyl)hexane"	"C19H24O"	"268.1827"	"M+K+CF3COOH"	152.95602
"804915"	274.0477	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M"	0
"975171"	255.02931	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-H2O-H"	-19.01839
"63121"	181.691190666667	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M-3H"	-3.021828
"504063"	273.040424	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M-3H"	-3.021828
"880239"	90.3419573333333	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-3H"	-3.021828
"2623"	273.040424	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M-2H"	-2.014552
"440194"	410.064274	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M-2H"	-2.014552
"817392"	136.016574	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-2H"	-2.014552
"79128"	547.088124	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M-H"	-1.007276
"520632"	821.135824	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M-H"	-1.007276
"899528"	273.040424	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-H"	-1.007276
"56090"	564.114671	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M-2H+NH4"	16.019271
"497838"	838.162371	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M-2H+NH4"	16.019271
"873453"	290.066971	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-2H+NH4"	16.019271
"39166"	569.070066	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M-2H+Na"	20.974666
"476543"	843.117766	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M-2H+Na"	20.974666
"849973"	295.022366	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-2H+Na"	20.974666
"1627159"	295.022366	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Na-2H"	20.974666
"106968"	291.028763	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M-H+Cl"	33.962126
"544342"	428.052613	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M-H+Cl"	33.962126
"936764"	154.004913	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-H+Cl"	33.962126
"267345"	583.064802	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+Cl"	34.969402
"664469"	857.112502	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+Cl"	34.969402
"1282707"	309.017102	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Cl"	34.969402
"27087"	585.044006	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M-2H+K"	36.948606
"468105"	859.091706	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M-2H+K"	36.948606
"845180"	310.996306	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-2H+K"	36.948606
"1570456"	310.996306	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+K-2H"	36.948606
"958445"	319.045894	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-H+HCOOH"	44.998194
"372947"	593.093601	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+HCOOH-H"	44.998201
"359018"	607.109251	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+Hac-H"	59.013851
"1506029"	333.061551	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Hac-H"	59.013851
"970653"	341.027851	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-H+NaCOOH"	66.980151
"119925"	309.017102	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+2Cl"	69.938804
"562039"	446.040952	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+2Cl"	69.938804
"1029377"	171.993252	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2Cl"	69.938804
"1251870"	352.966585	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Br"	78.918885
"1311403"	355.022572	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Cl+HCOOH"	80.974872
"1327804"	377.004529	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Cl+NaCOOH"	102.956829
"915950"	387.033286	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M-H+CF3COOH"	112.985586
"1294480"	423.009964	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Cl+CF3COOH"	148.962264
"1379930"	239.035024	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H-2H2O"	-35.012676
"1392324"	257.045	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H-H2O"	-17.0027
"292010"	549.102676	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+H"	1.007276
"677873"	823.150376	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+H"	1.007276
"1359691"	275.054976	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H"	1.007276
"130394"	275.054976	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+2H"	2.014552
"568858"	412.078826	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+2H"	2.014552
"1040939"	138.031126	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2H"	2.014552
"209931"	183.705742666667	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+3H"	3.021828
"647311"	275.054976	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+3H"	3.021828
"1167625"	92.3565093333333	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+3H"	3.021828
"426523"	566.129223	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+NH4"	18.033823
"786298"	840.176923	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+NH4"	18.033823
"1688226"	292.081523	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+NH4"	18.033823
"340878"	283.5682495	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+H+NH4"	19.041099
"734401"	420.5920995	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+H+NH4"	19.041099
"1486034"	146.5443995	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H+NH4"	19.041099
"405808"	571.084618	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+Na"	22.989218
"766800"	845.132318	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+Na"	22.989218
"1614903"	297.036918	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Na"	22.989218
"326033"	286.045947	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+H+Na"	23.996494
"721251"	423.069797	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+H+Na"	23.996494
"1474463"	149.022097	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H+Na"	23.996494
"1056774"	99.6838233333333	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2H+Na"	25.00377
"1261735"	307.081186	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+CH3OH+H"	33.033486
"378487"	587.058558	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+K"	38.963158
"747864"	861.106258	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+K"	38.963158
"1543355"	313.010858	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+K"	38.963158
"303812"	294.032917	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+H+K"	39.970434
"695140"	431.056767	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+H+K"	39.970434
"1447867"	157.009067	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H+K"	39.970434
"238658"	590.129226	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+ACN+H"	42.033826
"1215743"	316.081526	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+ACN+H"	42.033826
"1194681"	158.544401	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+ACN+2H"	43.041102
"188685"	593.06656	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+2Na-H"	44.97116
"628765"	867.11426	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+2Na-H"	44.97116
"1131501"	319.01886	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2Na-H"	44.97116
"172963"	297.036918	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+2Na"	45.978436
"613302"	434.060768	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+2Na"	45.978436
"1116814"	160.013068	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2Na"	45.978436
"1406537"	107.011137333333	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H+2Na"	46.985712
"1433185"	321.060446	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H+HCOOH"	47.012746
"221056"	302.06994	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+3H2O+2H"	56.04448
"1509970"	335.11249	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+IsoProp+H"	61.06479
"408731"	305.023888	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+Na+K"	61.952376
"774177"	442.047738	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+Na+K"	61.952376
"1666134"	168.000038	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Na+K"	61.952376
"255572"	612.111168	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+ACN+Na"	64.015768
"1231562"	338.063468	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+ACN+Na"	64.015768
"1719355"	338.086993	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+NH4+HCOOH"	64.039293
"1185802"	114.338451333333	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+3Na"	68.967654
"1656788"	343.042388	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Na+HCOOH"	68.994688
"159275"	625.01444	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+2K-H"	76.91904
"600294"	899.06214	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+2K-H"	76.91904
"1087001"	350.96674	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2K-H"	76.91904
"146734"	313.010858	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"2M+2K"	77.926316
"587386"	450.034708	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"3M+2K"	77.926316
"1076272"	175.987008	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2K"	77.926316
"1104019"	352.981292	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2K+H"	78.933592
"1347699"	353.068907	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+DMSO+H"	79.021207
"1021098"	357.108076	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2ACN+H"	83.060376
"1536541"	358.101708	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+IsoProp+Na+H"	84.054008
"1000071"	179.057676	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+2ACN+2H"	84.067652
"1601139"	359.016328	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+K+HCOOH"	84.968628
"1429320"	389.047838	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+H+CF3COOH"	115.000138
"1161463"	199.570951	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+3ACN+2H"	125.094202
"1709919"	406.074385	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+NH4+CF3COOH"	132.026685
"1641196"	411.02978	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+Na+CF3COOH"	136.98208
"1573566"	427.00372	"C15218"	"2244-Tetrahydroxybenzil;Bis(24-dihydroxyphenyl)ethanedione"	"C14H10O6"	"274.0477"	"M+K+CF3COOH"	152.95602
"805025"	298.1933	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M"	0
"975281"	279.17491	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-H2O-H"	-19.01839
"63438"	197.788257333333	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M-3H"	-3.021828
"503562"	297.186024	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M-3H"	-3.021828
"880998"	98.3904906666667	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-3H"	-3.021828
"669"	297.186024	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M-2H"	-2.014552
"440592"	446.282674	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M-2H"	-2.014552
"818513"	148.089374	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-2H"	-2.014552
"80085"	595.379324	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M-H"	-1.007276
"519284"	893.572624	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M-H"	-1.007276
"897816"	297.186024	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-H"	-1.007276
"51826"	612.405871	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M-2H+NH4"	16.019271
"494666"	910.599171	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M-2H+NH4"	16.019271
"871376"	314.212571	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-2H+NH4"	16.019271
"35996"	617.361266	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M-2H+Na"	20.974666
"477746"	915.554566	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M-2H+Na"	20.974666
"849718"	319.167966	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-2H+Na"	20.974666
"1628362"	319.167966	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Na-2H"	20.974666
"109144"	315.174363	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M-H+Cl"	33.962126
"545546"	464.271013	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M-H+Cl"	33.962126
"936874"	166.077713	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-H+Cl"	33.962126
"267577"	631.356002	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+Cl"	34.969402
"665672"	929.549302	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+Cl"	34.969402
"1283182"	333.162702	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Cl"	34.969402
"26833"	633.335206	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M-2H+K"	36.948606
"468215"	931.528506	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M-2H+K"	36.948606
"846383"	335.141906	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-2H+K"	36.948606
"1568784"	335.141906	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+K-2H"	36.948606
"957034"	343.191494	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-H+HCOOH"	44.998194
"373057"	641.384801	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+HCOOH-H"	44.998201
"356941"	655.400451	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+Hac-H"	59.013851
"1506140"	357.207151	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Hac-H"	59.013851
"969669"	365.173451	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-H+NaCOOH"	66.980151
"118942"	333.162702	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+2Cl"	69.938804
"557410"	482.259352	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+2Cl"	69.938804
"1031673"	184.066052	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2Cl"	69.938804
"1252346"	377.112185	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Br"	78.918885
"1311513"	379.168172	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Cl+HCOOH"	80.974872
"1326821"	401.150129	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Cl+NaCOOH"	102.956829
"918974"	411.178886	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M-H+CF3COOH"	112.985586
"1295684"	447.155564	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Cl+CF3COOH"	148.962264
"1379311"	263.180624	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H-2H2O"	-35.012676
"1393527"	281.1906	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H-H2O"	-17.0027
"292120"	597.393876	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+H"	1.007276
"679440"	895.587176	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+H"	1.007276
"1359801"	299.200576	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H"	1.007276
"131597"	299.200576	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+2H"	2.014552
"568968"	448.297226	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+2H"	2.014552
"1041049"	150.103926	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2H"	2.014552
"211134"	199.802809333333	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+3H"	3.021828
"644623"	299.200576	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+3H"	3.021828
"1168828"	100.405042666667	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+3H"	3.021828
"427726"	614.420423	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+NH4"	18.033823
"787625"	912.613723	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+NH4"	18.033823
"1682133"	316.227123	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+NH4"	18.033823
"337707"	307.7138495	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+H+NH4"	19.041099
"725754"	456.8104995	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+H+NH4"	19.041099
"1490879"	158.6171995	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H+NH4"	19.041099
"402632"	619.375818	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+Na"	22.989218
"764723"	917.569118	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+Na"	22.989218
"1612826"	321.182518	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Na"	22.989218
"325050"	310.191547	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+H+Na"	23.996494
"720752"	459.288197	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+H+Na"	23.996494
"1474575"	161.094897	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H+Na"	23.996494
"1057249"	107.732356666667	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2H+Na"	25.00377
"1260749"	331.226786	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+CH3OH+H"	33.033486
"380419"	635.349758	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+K"	38.963158
"745787"	933.543058	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+K"	38.963158
"1545652"	337.156458	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+K"	38.963158
"301735"	318.178517	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+H+K"	39.970434
"695249"	467.275167	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+H+K"	39.970434
"1449434"	169.081867	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H+K"	39.970434
"240954"	638.420426	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+ACN+H"	42.033826
"1212571"	340.227126	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+ACN+H"	42.033826
"1195362"	170.617201	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+ACN+2H"	43.041102
"189202"	641.35776	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+2Na-H"	44.97116
"628796"	939.55106	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+2Na-H"	44.97116
"1131434"	343.16446	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2Na-H"	44.97116
"172850"	321.182518	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+2Na"	45.978436
"612969"	470.279168	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+2Na"	45.978436
"1115949"	172.085868	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2Na"	45.978436
"1402273"	115.059670666667	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H+2Na"	46.985712
"1430337"	345.206046	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H+HCOOH"	47.012746
"220066"	326.21554	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+3H2O+2H"	56.04448
"1509959"	359.25809	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+IsoProp+H"	61.06479
"409887"	329.169488	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+Na+K"	61.952376
"772829"	478.266138	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+Na+K"	61.952376
"1668067"	180.072838	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Na+K"	61.952376
"252076"	660.402368	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+ACN+Na"	64.015768
"1229484"	362.209068	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+ACN+Na"	64.015768
"1719464"	362.232593	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+NH4+HCOOH"	64.039293
"1183725"	122.386984666667	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+3Na"	68.967654
"1655805"	367.187988	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Na+HCOOH"	68.994688
"157563"	673.30564	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+2K-H"	76.91904
"599311"	971.49894	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+2K-H"	76.91904
"1085654"	375.11234	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2K-H"	76.91904
"144657"	337.156458	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"2M+2K"	77.926316
"585307"	486.253108	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"3M+2K"	77.926316
"1072008"	188.059808	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2K"	77.926316
"1103036"	377.126892	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2K+H"	78.933592
"1344895"	377.214507	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+DMSO+H"	79.021207
"1020960"	381.253676	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2ACN+H"	83.060376
"1534829"	382.247308	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+IsoProp+Na+H"	84.054008
"997995"	191.130476	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+2ACN+2H"	84.067652
"1599063"	383.161928	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+K+HCOOH"	84.968628
"1429697"	413.193438	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+H+CF3COOH"	115.000138
"1159023"	211.643751	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+3ACN+2H"	125.094202
"1707843"	430.219985	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+NH4+CF3COOH"	132.026685
"1641306"	435.17538	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+Na+CF3COOH"	136.98208
"1573676"	451.14932	"C15219"	"26-Dimethylhexestrol;4-1-Ethyl-2-(4-hydroxyphenyl)butyl-35-dimethylphenol"	"C20H26O2"	"298.1933"	"M+K+CF3COOH"	152.95602
"804042"	142.0185	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M"	0
"980858"	123.00011	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-H2O-H"	-19.01839
"70192"	93.671724	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M-3H"	-3.021828
"513034"	141.011224	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M-3H"	-3.021828
"880991"	46.332224	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-3H"	-3.021828
"659"	141.011224	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M-2H"	-2.014552
"441433"	212.020474	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M-2H"	-2.014552
"817657"	70.001974	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-2H"	-2.014552
"79715"	283.029724	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M-H"	-1.007276
"520976"	425.048224	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M-H"	-1.007276
"897197"	141.011224	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-H"	-1.007276
"54126"	300.056271	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M-2H+NH4"	16.019271
"491500"	442.074771	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M-2H+NH4"	16.019271
"867114"	158.037771	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-2H+NH4"	16.019271
"37203"	305.011666	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M-2H+Na"	20.974666
"477858"	447.030166	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M-2H+Na"	20.974666
"854569"	162.993166	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-2H+Na"	20.974666
"1629567"	162.993166	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Na-2H"	20.974666
"105004"	158.999563	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M-H+Cl"	33.962126
"547844"	230.008813	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M-H+Cl"	33.962126
"936985"	87.990313	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-H+Cl"	33.962126
"277736"	319.006402	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+Cl"	34.969402
"670159"	461.024902	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+Cl"	34.969402
"1285845"	176.987902	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Cl"	34.969402
"30594"	320.985606	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M-2H+K"	36.948606
"469785"	463.004106	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M-2H+K"	36.948606
"844307"	178.967106	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-2H+K"	36.948606
"1569622"	178.967106	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+K-2H"	36.948606
"957877"	187.016694	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-H+HCOOH"	44.998194
"374992"	329.035201	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+HCOOH-H"	44.998201
"360947"	343.050851	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+Hac-H"	59.013851
"1506249"	201.032351	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Hac-H"	59.013851
"972696"	208.998651	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-H+NaCOOH"	66.980151
"124159"	176.987902	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+2Cl"	69.938804
"565056"	247.997152	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+2Cl"	69.938804
"1036524"	105.978652	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2Cl"	69.938804
"1254645"	220.937385	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Br"	78.918885
"1313812"	222.993372	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Cl+HCOOH"	80.974872
"1332403"	244.975329	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Cl+NaCOOH"	102.956829
"922366"	255.004086	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M-H+CF3COOH"	112.985586
"1297981"	290.980764	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Cl+CF3COOH"	148.962264
"1379422"	107.005824	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H-2H2O"	-35.012676
"1395825"	125.0158	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H-H2O"	-17.0027
"296970"	285.044276	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+H"	1.007276
"681374"	427.062776	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+H"	1.007276
"1357722"	143.025776	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H"	1.007276
"134985"	143.025776	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+2H"	2.014552
"574544"	214.035026	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+2H"	2.014552
"1041157"	72.016526	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2H"	2.014552
"211244"	95.686276	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+3H"	3.021828
"650809"	143.025776	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+3H"	3.021828
"1172213"	48.346776	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+3H"	3.021828
"431113"	302.070823	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+NH4"	18.033823
"787736"	444.089323	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+NH4"	18.033823
"1681515"	160.052323	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+NH4"	18.033823
"337817"	151.5390495	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+H+NH4"	19.041099
"725864"	222.5482995	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+H+NH4"	19.041099
"1492446"	80.5297995	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H+NH4"	19.041099
"406022"	307.026218	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+Na"	22.989218
"764833"	449.044718	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+Na"	22.989218
"1616099"	165.007718	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Na"	22.989218
"329294"	154.016747	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+H+Na"	23.996494
"721595"	225.025997	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+H+Na"	23.996494
"1476755"	83.007497	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H+Na"	23.996494
"1065744"	55.67409	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2H+Na"	25.00377
"1266329"	175.051986	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+CH3OH+H"	33.033486
"384904"	323.000158	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+K"	38.963158
"744804"	465.018658	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+K"	38.963158
"1544671"	180.981658	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+K"	38.963158
"307312"	162.003717	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+H+K"	39.970434
"695359"	233.012967	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+H+K"	39.970434
"1449181"	90.994467	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H+K"	39.970434
"242157"	326.070826	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+ACN+H"	42.033826
"1212680"	184.052326	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+ACN+H"	42.033826
"1194263"	92.529801	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+ACN+2H"	43.041102
"189028"	329.00816	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+2Na-H"	44.97116
"628868"	471.02666	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+2Na-H"	44.97116
"1132257"	186.98966	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2Na-H"	44.97116
"176885"	165.007718	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+2Na"	45.978436
"619726"	236.016968	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+2Na"	45.978436
"1119952"	93.998468	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2Na"	45.978436
"1402383"	63.001404	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H+2Na"	46.985712
"1435592"	189.031246	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H+HCOOH"	47.012746
"227473"	170.04074	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+3H2O+2H"	56.04448
"1513349"	203.08329	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+IsoProp+H"	61.06479
"414131"	172.994688	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+Na+K"	61.952376
"778407"	244.003938	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+Na+K"	61.952376
"1669271"	101.985438	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Na+K"	61.952376
"254699"	348.052768	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+ACN+Na"	64.015768
"1229594"	206.034268	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+ACN+Na"	64.015768
"1714107"	206.057793	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+NH4+HCOOH"	64.039293
"1184927"	70.328718	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+3Na"	68.967654
"1650811"	211.013188	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Na+HCOOH"	68.994688
"159498"	360.95604	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+2K-H"	76.91904
"597599"	502.97454	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+2K-H"	76.91904
"1090139"	218.93754	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2K-H"	76.91904
"148049"	180.981658	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"2M+2K"	77.926316
"588704"	251.990908	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"3M+2K"	77.926316
"1072119"	109.972408	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2K"	77.926316
"1100064"	220.952092	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2K+H"	78.933592
"1345732"	221.039707	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+DMSO+H"	79.021207
"1016086"	225.078876	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2ACN+H"	83.060376
"1532750"	226.072508	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+IsoProp+Na+H"	84.054008
"998103"	113.043076	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+2ACN+2H"	84.067652
"1600631"	226.987128	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+K+HCOOH"	84.968628
"1428968"	257.018638	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+H+CF3COOH"	115.000138
"1161321"	133.556351	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+3ACN+2H"	125.094202
"1709046"	274.045185	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+NH4+CF3COOH"	132.026685
"1641416"	279.00058	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+Na+CF3COOH"	136.98208
"1577066"	294.97452	"C15220"	"2-Chloro-4-methylphenol;2-Chloro-p-cresol"	"C7H7ClO"	"142.0185"	"M+K+CF3COOH"	152.95602
"807433"	418.3083	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M"	0
"986436"	399.28991	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-H2O-H"	-19.01839
"70304"	277.864924	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M-3H"	-3.021828
"507675"	417.301024	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M-3H"	-3.021828
"886574"	138.428824	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-3H"	-3.021828
"8429"	417.301024	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M-2H"	-2.014552
"443617"	626.455174	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M-2H"	-2.014552
"818259"	208.146874	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-2H"	-2.014552
"80316"	835.609324	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M-H"	-1.007276
"520970"	1253.917624	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M-H"	-1.007276
"896459"	417.301024	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-H"	-1.007276
"54238"	852.635871	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M-2H+NH4"	16.019271
"494891"	1270.944171	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M-2H+NH4"	16.019271
"873787"	434.327571	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-2H+NH4"	16.019271
"39500"	857.591266	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M-2H+Na"	20.974666
"484529"	1275.899566	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M-2H+Na"	20.974666
"859053"	439.282966	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-2H+Na"	20.974666
"1633324"	439.282966	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Na-2H"	20.974666
"109124"	435.289363	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M-H+Cl"	33.962126
"549047"	644.443513	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M-H+Cl"	33.962126
"940375"	226.135213	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-H+Cl"	33.962126
"273473"	871.586002	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+Cl"	34.969402
"669172"	1289.894302	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+Cl"	34.969402
"1285955"	453.277702	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Cl"	34.969402
"31067"	873.565206	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M-2H+K"	36.948606
"471280"	1291.873506	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M-2H+K"	36.948606
"845510"	455.256906	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-2H+K"	36.948606
"1567181"	455.256906	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+K-2H"	36.948606
"956529"	463.306494	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-H+HCOOH"	44.998194
"374008"	881.614801	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+HCOOH-H"	44.998201
"358983"	895.630451	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+Hac-H"	59.013851
"1504170"	477.322151	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Hac-H"	59.013851
"971712"	485.288451	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-H+NaCOOH"	66.980151
"122443"	453.277702	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+2Cl"	69.938804
"563828"	662.431852	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+2Cl"	69.938804
"1034817"	244.123552	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2Cl"	69.938804
"1255483"	497.227185	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Br"	78.918885
"1316472"	499.283172	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Cl+HCOOH"	80.974872
"1332146"	521.265129	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Cl+NaCOOH"	102.956829
"920289"	531.293886	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M-H+CF3COOH"	112.985586
"1301370"	567.270564	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Cl+CF3COOH"	148.962264
"1379532"	383.295624	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H-2H2O"	-35.012676
"1397030"	401.3056	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H-H2O"	-17.0027
"297811"	837.623876	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+H"	1.007276
"680388"	1255.932176	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+H"	1.007276
"1359654"	419.315576	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H"	1.007276
"132544"	419.315576	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+2H"	2.014552
"576113"	628.469726	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+2H"	2.014552
"1043454"	210.161426	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2H"	2.014552
"213541"	279.879476	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+3H"	3.021828
"654199"	419.315576	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+3H"	3.021828
"1173782"	140.443376	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+3H"	3.021828
"435232"	854.650423	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+NH4"	18.033823
"792218"	1272.958723	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+NH4"	18.033823
"1681988"	436.342123	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+NH4"	18.033823
"337927"	427.8288495	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+H+NH4"	19.041099
"731441"	636.9829995	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+H+NH4"	19.041099
"1486360"	218.6746995	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H+NH4"	19.041099
"399572"	859.605818	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+Na"	22.989218
"764943"	1277.914118	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+Na"	22.989218
"1616328"	441.297518	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Na"	22.989218
"329161"	430.306547	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+H+Na"	23.996494
"721583"	639.460697	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+H+Na"	23.996494
"1476963"	221.152397	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H+Na"	23.996494
"1064761"	147.77069	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2H+Na"	25.00377
"1264253"	451.341786	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+CH3OH+H"	33.033486
"391089"	875.579758	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+K"	38.963158
"746009"	1293.888058	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+K"	38.963158
"1550250"	457.271458	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+K"	38.963158
"306328"	438.293517	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+H+K"	39.970434
"697657"	647.447667	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+H+K"	39.970434
"1450385"	229.139367	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H+K"	39.970434
"241174"	878.650426	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+ACN+H"	42.033826
"1212793"	460.342126	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+ACN+H"	42.033826
"1196677"	230.674701	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+ACN+2H"	43.041102
"192828"	881.58776	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+2Na-H"	44.97116
"630076"	1299.89606	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+2Na-H"	44.97116
"1134800"	463.27946	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2Na-H"	44.97116
"183559"	441.297518	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+2Na"	45.978436
"624213"	650.451668	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+2Na"	45.978436
"1125530"	232.143368	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2Na"	45.978436
"1406869"	155.098004	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H+2Na"	46.985712
"1443357"	465.321046	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H+HCOOH"	47.012746
"233052"	446.33054	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+3H2O+2H"	56.04448
"1509692"	479.37309	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+IsoProp+H"	61.06479
"417521"	449.284488	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+Na+K"	61.952376
"780704"	658.438638	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+Na+K"	61.952376
"1677035"	240.130338	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Na+K"	61.952376
"255902"	900.632368	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+ACN+Na"	64.015768
"1231891"	482.324068	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+ACN+Na"	64.015768
"1718591"	482.347593	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+NH4+HCOOH"	64.039293
"1189411"	162.425318	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+3Na"	68.967654
"1657119"	487.302988	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Na+HCOOH"	68.994688
"158879"	913.53564	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+2K-H"	76.91904
"600262"	1331.84394	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+2K-H"	76.91904
"1095723"	495.22734	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2K-H"	76.91904
"152537"	457.271458	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"2M+2K"	77.926316
"592096"	666.425608	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"3M+2K"	77.926316
"1076607"	248.117308	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2K"	77.926316
"1100336"	497.241892	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2K+H"	78.933592
"1341829"	497.329507	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+DMSO+H"	79.021207
"1013641"	501.368676	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2ACN+H"	83.060376
"1528486"	502.362308	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+IsoProp+Na+H"	84.054008
"994933"	251.187976	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+2ACN+2H"	84.067652
"1601592"	503.276928	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+K+HCOOH"	84.968628
"1428224"	533.308438	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+H+CF3COOH"	115.000138
"1157422"	271.701251	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+3ACN+2H"	125.094202
"1705876"	550.334985	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+NH4+CF3COOH"	132.026685
"1641526"	555.29038	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+Na+CF3COOH"	136.98208
"1573896"	571.26432	"C15221"	"Diisononyl phthalate"	"C26H42O4"	"418.3083"	"M+K+CF3COOH"	152.95602
"804262"	270.0528	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M"	0
"981078"	251.03441	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"66041"	179.027924	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"507789"	269.045524	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"884496"	89.010324	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"1976"	269.045524	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"444085"	404.071924	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"819335"	134.019124	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"80421"	539.098324	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"521074"	809.151124	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"903251"	269.045524	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"51068"	556.124871	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"491722"	826.177671	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"870617"	286.072071	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"43986"	561.080266	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"483549"	831.133066	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"861351"	291.027466	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1628695"	291.027466	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"109439"	287.033863	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"548064"	422.060263	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"938298"	152.007463	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"274676"	575.075002	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"668921"	845.127802	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1286065"	305.022202	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"31220"	577.054206	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"471298"	847.107006	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"848281"	307.001406	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1570697"	307.001406	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"956639"	315.050994	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"375943"	585.103801	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"359827"	599.119451	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1505745"	329.066651	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"970737"	337.032951	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"122187"	305.022202	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"563937"	440.048602	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1034557"	169.995802	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1249396"	348.971685	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1314031"	351.027672	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1329340"	373.009629	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"923679"	383.038386	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1294921"	419.015064	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1377454"	235.040124	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1391671"	253.0501	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"291358"	541.112876	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"680501"	811.165676	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1360131"	271.060076	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"134114"	271.060076	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"571487"	406.086476	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1041379"	136.033676	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"211465"	181.042476	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"647749"	271.060076	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1173892"	91.024876	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"426958"	558.139423	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"788316"	828.192223	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1683198"	288.086623	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"339130"	279.5733495	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"728271"	414.5997495	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1486467"	144.5469495	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"399679"	563.094818	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"765053"	833.147618	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1617166"	293.042018	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"326478"	282.051047	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"717808"	417.077447	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1471626"	147.024647	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1060498"	98.35219	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1265456"	303.086286	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"382936"	579.068758	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"745025"	849.121558	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1544891"	309.015958	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"305347"	290.038017	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"696674"	425.064417	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1450498"	155.011617	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"240195"	582.139426	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1211443"	312.086626	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1196788"	156.546951	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"190264"	585.07676	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"630430"	855.12956	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1135638"	315.02396	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"177834"	293.042018	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"621040"	428.068418	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1125640"	158.015618	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1406979"	105.679504	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1442373"	317.065546	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"228789"	298.07504	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1513570"	331.11759	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"417631"	301.028988	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"775347"	436.055388	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1668400"	166.002588	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"253825"	604.121368	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1226290"	334.068568	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1719795"	334.092093	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1184055"	113.006818	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1651888"	339.047488	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"159721"	617.02464	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"599277"	887.07744	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1093644"	346.97184	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"150456"	309.015958	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"585643"	444.042358	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1074532"	173.989558	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1100689"	348.986392	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1345222"	349.074007	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1019223"	353.113176	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1530783"	354.106808	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"1000512"	177.060226	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1601580"	355.021428	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1427970"	385.052938	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1160081"	197.573501	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1709267"	402.079485	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1644916"	407.03488	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1574006"	423.00882	"C15222"	"364-Trihydroxyflavone;36-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"814216"	326.0823	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M"	0
"984468"	307.06391	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-H2O-H"	-19.01839
"71620"	216.380924	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M-3H"	-3.021828
"513366"	325.075024	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M-3H"	-3.021828
"885700"	107.686824	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-3H"	-3.021828
"6463"	325.075024	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M-2H"	-2.014552
"442737"	488.116174	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M-2H"	-2.014552
"819085"	162.033874	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-2H"	-2.014552
"83816"	651.157324	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M-H"	-1.007276
"521186"	977.239624	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M-H"	-1.007276
"903362"	325.075024	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-H"	-1.007276
"55550"	668.183871	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M-2H+NH4"	16.019271
"495113"	994.266171	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M-2H+NH4"	16.019271
"876925"	342.101571	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-2H+NH4"	16.019271
"41910"	673.139266	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M-2H+Na"	20.974666
"485120"	999.221566	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M-2H+Na"	20.974666
"862555"	347.056966	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-2H+Na"	20.974666
"1628805"	347.056966	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Na-2H"	20.974666
"108252"	343.063363	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M-H+Cl"	33.962126
"547446"	506.104513	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M-H+Cl"	33.962126
"939502"	180.022213	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-H+Cl"	33.962126
"273692"	687.134002	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+Cl"	34.969402
"668302"	1013.216302	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+Cl"	34.969402
"1286539"	361.051702	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Cl"	34.969402
"30801"	689.113206	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M-2H+K"	36.948606
"471135"	1015.195506	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M-2H+K"	36.948606
"848488"	363.030906	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-2H+K"	36.948606
"1571106"	363.030906	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+K-2H"	36.948606
"957968"	371.080494	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-H+HCOOH"	44.998194
"375692"	697.162801	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+HCOOH-H"	44.998201
"359213"	711.178451	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+Hac-H"	59.013851
"1505854"	385.096151	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Hac-H"	59.013851
"972301"	393.062451	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-H+NaCOOH"	66.980151
"124124"	361.051702	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+2Cl"	69.938804
"564050"	524.092852	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+2Cl"	69.938804
"1034667"	198.010552	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2Cl"	69.938804
"1252424"	405.001185	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Br"	78.918885
"1309769"	407.057172	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Cl+HCOOH"	80.974872
"1329450"	429.039129	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Cl+NaCOOH"	102.956829
"923790"	439.067886	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M-H+CF3COOH"	112.985586
"1296124"	475.044564	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Cl+CF3COOH"	148.962264
"1376471"	291.069624	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H-2H2O"	-35.012676
"1392510"	309.0796	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H-H2O"	-17.0027
"290374"	653.171876	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+H"	1.007276
"681705"	979.254176	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+H"	1.007276
"1356963"	327.089576	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H"	1.007276
"132038"	327.089576	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+2H"	2.014552
"572690"	490.130726	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+2H"	2.014552
"1042582"	164.048426	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2H"	2.014552
"211575"	218.395476	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+3H"	3.021828
"645672"	327.089576	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+3H"	3.021828
"1169263"	109.701376	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+3H"	3.021828
"425973"	670.198423	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+NH4"	18.033823
"786724"	996.280723	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+NH4"	18.033823
"1683308"	344.116123	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+NH4"	18.033823
"331586"	335.6028495	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+H+NH4"	19.041099
"728381"	498.6439995	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+H+NH4"	19.041099
"1486577"	172.5616995	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H+NH4"	19.041099
"399789"	675.153818	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+Na"	22.989218
"765163"	1001.236118	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+Na"	22.989218
"1613267"	349.071518	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Na"	22.989218
"326588"	338.080547	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+H+Na"	23.996494
"713541"	501.121697	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+H+Na"	23.996494
"1463352"	175.039397	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H+Na"	23.996494
"1059516"	117.02869	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2H+Na"	25.00377
"1262287"	359.115786	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+CH3OH+H"	33.033486
"379403"	691.127758	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+K"	38.963158
"745133"	1017.210058	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+K"	38.963158
"1544273"	365.045458	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+K"	38.963158
"306550"	346.067517	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+H+K"	39.970434
"697876"	509.108667	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+H+K"	39.970434
"1450608"	183.026367	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H+K"	39.970434
"241397"	694.198426	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+ACN+H"	42.033826
"1220670"	368.116126	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+ACN+H"	42.033826
"1200179"	184.561701	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+ACN+2H"	43.041102
"191590"	697.13576	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+2Na-H"	44.97116
"634066"	1023.21806	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+2Na-H"	44.97116
"1133924"	371.05346	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2Na-H"	44.97116
"179405"	349.071518	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+2Na"	45.978436
"621514"	512.112668	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+2Na"	45.978436
"1125750"	186.030368	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2Na"	45.978436
"1404173"	124.356004	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H+2Na"	46.985712
"1440298"	373.095046	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H+HCOOH"	47.012746
"228899"	354.10454	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+3H2O+2H"	56.04448
"1516961"	387.14709	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+IsoProp+H"	61.06479
"414826"	357.058488	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+Na+K"	61.952376
"773999"	520.099638	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+Na+K"	61.952376
"1671792"	194.017338	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Na+K"	61.952376
"257216"	716.180368	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+ACN+Na"	64.015768
"1228832"	390.098068	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+ACN+Na"	64.015768
"1715531"	390.121593	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+NH4+HCOOH"	64.039293
"1179426"	131.683318	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+3Na"	68.967654
"1651633"	395.076988	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Na+HCOOH"	68.994688
"162017"	729.08364	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+2K-H"	76.91904
"597926"	1055.16594	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+2K-H"	76.91904
"1097401"	403.00134	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2K-H"	76.91904
"154579"	365.045458	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"2M+2K"	77.926316
"593410"	528.086608	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"3M+2K"	77.926316
"1076829"	202.004308	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2K"	77.926316
"1112230"	405.015892	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2K+H"	78.933592
"1348981"	405.103507	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+DMSO+H"	79.021207
"1018605"	409.142676	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2ACN+H"	83.060376
"1536367"	410.136308	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+IsoProp+Na+H"	84.054008
"1002449"	205.074976	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+2ACN+2H"	84.067652
"1600596"	411.050928	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+K+HCOOH"	84.968628
"1426987"	441.082438	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+H+CF3COOH"	115.000138
"1162013"	225.588251	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+3ACN+2H"	125.094202
"1709376"	458.108985	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+NH4+CF3COOH"	132.026685
"1640651"	463.06438	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+Na+CF3COOH"	136.98208
"1577396"	479.03832	"C15224"	"Tributyltin chloride;Tri-n-butylchlorotin;Tributylchlorostannane"	"C12H27ClSn"	"326.0823"	"M+K+CF3COOH"	152.95602
"804483"	239.9433	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M"	0
"981299"	220.92491	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-H2O-H"	-19.01839
"68449"	158.954924	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M-3H"	-3.021828
"506913"	238.936024	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M-3H"	-3.021828
"891280"	78.973824	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-3H"	-3.021828
"6574"	238.936024	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M-2H"	-2.014552
"440421"	358.907674	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M-2H"	-2.014552
"819556"	118.964374	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-2H"	-2.014552
"79790"	478.879324	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M-H"	-1.007276
"521297"	718.822624	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M-H"	-1.007276
"899100"	238.936024	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-H"	-1.007276
"52381"	495.905871	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M-2H+NH4"	16.019271
"489754"	735.849171	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M-2H+NH4"	16.019271
"870841"	255.962571	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-2H+NH4"	16.019271
"36556"	500.861266	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M-2H+Na"	20.974666
"478302"	740.804566	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M-2H+Na"	20.974666
"856102"	260.917966	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-2H+Na"	20.974666
"1630009"	260.917966	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Na-2H"	20.974666
"104351"	256.924363	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M-H+Cl"	33.962126
"539536"	376.896013	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M-H+Cl"	33.962126
"936341"	136.952713	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-H+Cl"	33.962126
"275991"	514.856002	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+Cl"	34.969402
"672061"	754.799302	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+Cl"	34.969402
"1286901"	274.912702	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Cl"	34.969402
"27752"	516.835206	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M-2H+K"	36.948606
"470599"	756.778506	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M-2H+K"	36.948606
"848037"	276.891906	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-2H+K"	36.948606
"1570309"	276.891906	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+K-2H"	36.948606
"956490"	284.941494	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-H+HCOOH"	44.998194
"374708"	524.884801	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+HCOOH-H"	44.998201
"358591"	538.900451	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+Hac-H"	59.013851
"1506693"	298.957151	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Hac-H"	59.013851
"972048"	306.923451	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-H+NaCOOH"	66.980151
"118406"	274.912702	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+2Cl"	69.938804
"561974"	394.884352	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+2Cl"	69.938804
"1034051"	154.941052	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2Cl"	69.938804
"1249618"	318.862185	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Br"	78.918885
"1315712"	320.918172	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Cl+HCOOH"	80.974872
"1329563"	342.900129	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Cl+NaCOOH"	102.956829
"924996"	352.928886	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M-H+CF3COOH"	112.985586
"1297329"	388.905564	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Cl+CF3COOH"	148.962264
"1373666"	204.930624	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H-2H2O"	-35.012676
"1387884"	222.9406	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H-H2O"	-17.0027
"292677"	480.893876	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+H"	1.007276
"685099"	720.837176	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+H"	1.007276
"1358165"	240.950576	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H"	1.007276
"133241"	240.950576	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+2H"	2.014552
"572800"	360.922226	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+2H"	2.014552
"1044514"	120.978926	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2H"	2.014552
"205249"	160.969476	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+3H"	3.021828
"646873"	240.950576	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+3H"	3.021828
"1167186"	80.988376	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+3H"	3.021828
"426083"	497.920423	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+NH4"	18.033823
"795838"	737.863723	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+NH4"	18.033823
"1689980"	257.977123	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+NH4"	18.033823
"339351"	249.4638495	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+H+NH4"	19.041099
"728859"	369.4354995	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+H+NH4"	19.041099
"1484500"	129.4921995	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H+NH4"	19.041099
"405745"	502.875818	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+Na"	22.989218
"768801"	742.819118	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+Na"	22.989218
"1613377"	262.932518	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Na"	22.989218
"322322"	251.941547	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+H+Na"	23.996494
"713651"	371.913197	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+H+Na"	23.996494
"1464191"	131.969897	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H+Na"	23.996494
"1059624"	88.31569	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2H+Na"	25.00377
"1265675"	272.976786	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+CH3OH+H"	33.033486
"384251"	518.849758	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+K"	38.963158
"740507"	758.793058	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+K"	38.963158
"1542927"	278.906458	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+K"	38.963158
"305568"	259.928517	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+H+K"	39.970434
"697992"	379.900167	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+H+K"	39.970434
"1448532"	139.956867	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H+K"	39.970434
"240417"	521.920426	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+ACN+H"	42.033826
"1219687"	281.977126	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+ACN+H"	42.033826
"1206487"	141.492201	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+ACN+2H"	43.041102
"200452"	524.85776	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+2Na-H"	44.97116
"634908"	764.80106	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+2Na-H"	44.97116
"1139507"	284.91446	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2Na-H"	44.97116
"175505"	262.932518	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+2Na"	45.978436
"615430"	382.904168	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+2Na"	45.978436
"1121488"	142.960868	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2Na"	45.978436
"1406834"	95.643004	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H+2Na"	46.985712
"1438223"	286.956046	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H+HCOOH"	47.012746
"226822"	267.96554	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+3H2O+2H"	56.04448
"1511606"	301.00809	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+IsoProp+H"	61.06479
"411656"	270.919488	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+Na+K"	61.952376
"782133"	390.891138	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+Na+K"	61.952376
"1670809"	150.947838	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Na+K"	61.952376
"255142"	543.902368	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+ACN+Na"	64.015768
"1227120"	303.959068	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+ACN+Na"	64.015768
"1717831"	303.982593	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+NH4+HCOOH"	64.039293
"1183189"	102.970318	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+3Na"	68.967654
"1659644"	308.937988	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Na+HCOOH"	68.994688
"159941"	556.80564	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+2K-H"	76.91904
"608256"	796.74894	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+2K-H"	76.91904
"1094955"	316.86234	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2K-H"	76.91904
"152869"	278.906458	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"2M+2K"	77.926316
"589149"	398.878108	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"3M+2K"	77.926316
"1079856"	158.934808	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2K"	77.926316
"1111613"	318.876892	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2K+H"	78.933592
"1349701"	318.964507	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+DMSO+H"	79.021207
"1017261"	323.003676	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2ACN+H"	83.060376
"1536478"	323.997308	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+IsoProp+Na+H"	84.054008
"1003653"	162.005476	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+2ACN+2H"	84.067652
"1601682"	324.911928	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+K+HCOOH"	84.968628
"1427463"	354.943438	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+H+CF3COOH"	115.000138
"1159939"	182.518751	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+3ACN+2H"	125.094202
"1710581"	371.969985	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+NH4+CF3COOH"	132.026685
"1647324"	376.92538	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+Na+CF3COOH"	136.98208
"1584070"	392.89932	"C15226"	"Thallium chloride;Thallous chloride"	"TlCl"	"239.9433"	"M+K+CF3COOH"	152.95602
"806779"	293.7728	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M"	0
"982501"	274.75441	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-H2O-H"	-19.01839
"67462"	194.841257333333	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M-3H"	-3.021828
"507023"	292.765524	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M-3H"	-3.021828
"891390"	96.9169906666667	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-3H"	-3.021828
"7777"	292.765524	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M-2H"	-2.014552
"440653"	439.651924	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M-2H"	-2.014552
"818937"	145.879124	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-2H"	-2.014552
"80144"	586.538324	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M-H"	-1.007276
"519824"	880.311124	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M-H"	-1.007276
"897265"	292.765524	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-H"	-1.007276
"49453"	603.564871	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M-2H+NH4"	16.019271
"490957"	897.337671	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M-2H+NH4"	16.019271
"869856"	309.792071	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-2H+NH4"	16.019271
"41037"	608.520266	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M-2H+Na"	20.974666
"481327"	902.293066	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M-2H+Na"	20.974666
"858399"	314.747466	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-2H+Na"	20.974666
"1625746"	314.747466	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Na-2H"	20.974666
"102274"	310.753863	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M-H+Cl"	33.962126
"542927"	457.640263	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M-H+Cl"	33.962126
"937907"	163.867463	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-H+Cl"	33.962126
"279014"	622.515002	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+Cl"	34.969402
"671804"	916.287802	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+Cl"	34.969402
"1284933"	328.742202	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Cl"	34.969402
"28582"	624.494206	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M-2H+K"	36.948606
"471075"	918.267006	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M-2H+K"	36.948606
"846322"	330.721406	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-2H+K"	36.948606
"1570054"	330.721406	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+K-2H"	36.948606
"957695"	338.770994	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-H+HCOOH"	44.998194
"375911"	632.543801	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+HCOOH-H"	44.998201
"359794"	646.559451	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+Hac-H"	59.013851
"1507045"	352.786651	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Hac-H"	59.013851
"973617"	360.752951	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-H+NaCOOH"	66.980151
"123617"	328.742202	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+2Cl"	69.938804
"564635"	475.628602	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+2Cl"	69.938804
"1029057"	181.855802	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2Cl"	69.938804
"1247538"	372.691685	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Br"	78.918885
"1311081"	374.747672	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Cl+HCOOH"	80.974872
"1331860"	396.729629	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Cl+NaCOOH"	102.956829
"918540"	406.758386	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M-H+CF3COOH"	112.985586
"1294158"	442.735064	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Cl+CF3COOH"	148.962264
"1373412"	258.760124	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H-2H2O"	-35.012676
"1390909"	276.7701	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H-H2O"	-17.0027
"292787"	588.552876	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+H"	1.007276
"681928"	882.325676	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+H"	1.007276
"1358275"	294.780076	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H"	1.007276
"131164"	294.780076	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+2H"	2.014552
"572910"	441.666476	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+2H"	2.014552
"1044988"	147.893676	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2H"	2.014552
"206696"	196.855809333333	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+3H"	3.021828
"646983"	294.780076	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+3H"	3.021828
"1172400"	98.9315426666667	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+3H"	3.021828
"426194"	605.579423	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+NH4"	18.033823
"795948"	899.352223	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+NH4"	18.033823
"1690090"	311.806623	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+NH4"	18.033823
"339461"	303.2933495	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+H+NH4"	19.041099
"728605"	450.1797495	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+H+NH4"	19.041099
"1483517"	156.4069495	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H+NH4"	19.041099
"406946"	610.534818	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+Na"	22.989218
"768549"	904.307618	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+Na"	22.989218
"1612394"	316.762018	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Na"	22.989218
"324254"	305.771047	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+H+Na"	23.996494
"712668"	452.657447	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+H+Na"	23.996494
"1467580"	158.884647	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H+Na"	23.996494
"1059733"	106.258856666667	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2H+Na"	25.00377
"1265785"	326.806286	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+CH3OH+H"	33.033486
"386546"	626.508758	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+K"	38.963158
"745355"	920.281558	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+K"	38.963158
"1546317"	332.735958	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+K"	38.963158
"306771"	313.758017	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+H+K"	39.970434
"697009"	460.644417	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+H+K"	39.970434
"1449735"	166.871617	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H+K"	39.970434
"241620"	629.579426	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+ACN+H"	42.033826
"1221620"	335.806626	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+ACN+H"	42.033826
"1203680"	168.406951	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+ACN+2H"	43.041102
"200561"	632.51676	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+2Na-H"	44.97116
"633195"	926.28956	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+2Na-H"	44.97116
"1133418"	338.74396	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2Na-H"	44.97116
"175250"	316.762018	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+2Na"	45.978436
"615538"	463.648418	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+2Na"	45.978436
"1121599"	169.875618	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2Na"	45.978436
"1408401"	113.586170666667	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H+2Na"	46.985712
"1439423"	340.785546	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H+HCOOH"	47.012746
"225839"	321.79504	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+3H2O+2H"	56.04448
"1513902"	354.83759	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+IsoProp+H"	61.06479
"411036"	324.748988	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+Na+K"	61.952376
"781150"	471.635388	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+Na+K"	61.952376
"1672012"	177.862588	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Na+K"	61.952376
"255252"	651.561368	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+ACN+Na"	64.015768
"1226865"	357.788568	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+ACN+Na"	64.015768
"1716848"	357.812093	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+NH4+HCOOH"	64.039293
"1187673"	120.913484666667	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+3Na"	68.967654
"1662306"	362.767488	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Na+HCOOH"	68.994688
"160051"	664.46464	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+2K-H"	76.91904
"607639"	958.23744	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+2K-H"	76.91904
"1092151"	370.69184	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2K-H"	76.91904
"150064"	332.735958	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"2M+2K"	77.926316
"589989"	479.622358	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"3M+2K"	77.926316
"1079239"	185.849558	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2K"	77.926316
"1112087"	372.706392	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2K+H"	78.933592
"1348475"	372.794007	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+DMSO+H"	79.021207
"1017734"	376.833176	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2ACN+H"	83.060376
"1536588"	377.826808	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+IsoProp+Na+H"	84.054008
"1003035"	188.920226	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+2ACN+2H"	84.067652
"1601184"	378.741428	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+K+HCOOH"	84.968628
"1425387"	408.772938	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+H+CF3COOH"	115.000138
"1159684"	209.433501	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+3ACN+2H"	125.094202
"1709234"	425.799485	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+NH4+CF3COOH"	132.026685
"1648892"	430.75488	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+Na+CF3COOH"	136.98208
"1584180"	446.72882	"C15227"	"Potassium dichromate"	"K2Cr2O7"	"293.7728"	"M+K+CF3COOH"	152.95602
"804703"	314.1882	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M"	0
"984798"	295.16981	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"67572"	208.451524	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"506040"	313.180924	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"891500"	103.722124	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"7887"	313.180924	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"441127"	470.275024	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"818318"	156.086824	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"79077"	627.369124	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"519204"	941.557324	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"896889"	313.180924	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"49321"	644.395671	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"492161"	958.583871	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"867779"	330.207471	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"41147"	649.351066	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"481801"	963.539266	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"857415"	335.162866	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1629136"	335.162866	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"103476"	331.169263	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"543038"	488.263363	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"937652"	174.075163	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"279123"	663.345802	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"673007"	977.534002	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1284315"	349.157602	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"29056"	665.325006	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"470088"	979.513206	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"846429"	351.136806	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1564447"	351.136806	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"957242"	359.186394	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"376020"	673.374601	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"359783"	687.390251	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1507274"	373.202051	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"972997"	381.168351	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"124699"	349.157602	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"564015"	506.251702	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1026979"	192.063502	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1247648"	393.107085	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1307179"	395.163072	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1326501"	417.145029	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"914278"	427.173786	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1294268"	463.150464	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1372429"	279.175524	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1388833"	297.1855	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"293990"	629.383676	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"683131"	943.571876	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1358385"	315.195476	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"131273"	315.195476	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"567553"	472.289576	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1040724"	158.101376	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"209718"	210.466076	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"646001"	315.195476	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1164125"	105.736676	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"424845"	646.410223	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"796058"	960.598423	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1689107"	332.222023	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"339571"	323.7087495	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"726163"	480.8028495	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1483991"	166.6146495	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"406687"	651.365618	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"765496"	965.553818	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1612503"	337.177418	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"325822"	326.186447	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"709495"	483.280547	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1466597"	169.092347	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1057655"	113.06399	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1265893"	347.221686	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"380093"	667.339558	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"746556"	981.527758	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1542048"	353.151358	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"305788"	334.173417	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"699301"	491.267517	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1447780"	177.079317	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"242823"	670.410226	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1216626"	356.222026	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1203790"	178.614651	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"200671"	673.34756	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"634034"	987.53576	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1134256"	359.15936	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"175724"	337.177418	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"614189"	494.271518	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1121709"	180.083318	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1405231"	120.391304	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1437346"	361.200946	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"221938"	342.21044	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1512190"	375.25299	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"408998"	345.164388	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"783446"	502.258488	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1672122"	188.070288	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"255362"	692.392168	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1227703"	378.203968	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1717322"	378.227493	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1187783"	127.718618	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1660959"	383.182888	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"160161"	705.29544	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"607749"	1019.48364	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1093718"	391.10724	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"150536"	353.151358	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"590099"	510.245458	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1077889"	196.057258	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1114020"	393.121792	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1347858"	393.209407	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1018452"	397.248576	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1537427"	398.242208	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"1004240"	199.127926	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1601417"	399.156828	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1425497"	429.188338	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1159794"	219.641201	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1710437"	446.214885	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1649245"	451.17028	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1584290"	467.14422	"C15228"	"beta-Estradiol 17-acetate;Estra-135(10)-triene-317beta-diol 17-acetate;17beta-Acetylestradiol"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"804813"	303.9175	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M"	0
"982721"	284.89911	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-H2O-H"	-19.01839
"67682"	201.604390666667	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M-3H"	-3.021828
"505057"	302.910224	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M-3H"	-3.021828
"892703"	100.298557333333	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-3H"	-3.021828
"6904"	302.910224	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M-2H"	-2.014552
"440996"	454.868974	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M-2H"	-2.014552
"817213"	150.951474	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-2H"	-2.014552
"78907"	606.827724	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M-H"	-1.007276
"520532"	910.745224	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M-H"	-1.007276
"896878"	302.910224	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-H"	-1.007276
"49431"	623.854271	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M-2H+NH4"	16.019271
"490085"	927.771771	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M-2H+NH4"	16.019271
"870076"	319.936771	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-2H+NH4"	16.019271
"41257"	628.809666	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M-2H+Na"	20.974666
"478631"	932.727166	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M-2H+Na"	20.974666
"857524"	324.892166	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-2H+Na"	20.974666
"1628152"	324.892166	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Na-2H"	20.974666
"106867"	320.898563	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M-H+Cl"	33.962126
"540959"	472.857313	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M-H+Cl"	33.962126
"934483"	168.939813	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-H+Cl"	33.962126
"273040"	642.804402	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+Cl"	34.969402
"673117"	946.721902	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+Cl"	34.969402
"1283332"	338.886902	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Cl"	34.969402
"23699"	644.783606	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M-2H+K"	36.948606
"469830"	948.701106	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M-2H+K"	36.948606
"843257"	340.866106	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-2H+K"	36.948606
"1561275"	340.866106	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+K-2H"	36.948606
"950254"	348.915694	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-H+HCOOH"	44.998194
"372481"	652.833201	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+HCOOH-H"	44.998201
"355271"	666.848851	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+Hac-H"	59.013851
"1498998"	362.931351	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Hac-H"	59.013851
"962166"	370.897651	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-H+NaCOOH"	66.980151
"116542"	338.886902	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+2Cl"	69.938804
"555007"	490.845652	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+2Cl"	69.938804
"1024899"	186.928152	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2Cl"	69.938804
"1243382"	382.836385	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Br"	78.918885
"1307288"	384.892372	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Cl+HCOOH"	80.974872
"1322234"	406.874329	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Cl+NaCOOH"	102.956829
"913292"	416.903086	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M-H+CF3COOH"	112.985586
"1292189"	452.879764	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Cl+CF3COOH"	148.962264
"1370350"	268.904824	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H-2H2O"	-35.012676
"1388943"	286.9148	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H-H2O"	-17.0027
"287540"	608.842276	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+H"	1.007276
"677771"	912.759776	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+H"	1.007276
"1351376"	304.924776	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H"	1.007276
"130290"	304.924776	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+2H"	2.014552
"567055"	456.883526	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+2H"	2.014552
"1040833"	152.966026	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2H"	2.014552
"205457"	203.618942666667	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+3H"	3.021828
"649390"	304.924776	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+3H"	3.021828
"1168607"	102.313109333333	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+3H"	3.021828
"424281"	625.868823	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+NH4"	18.033823
"793981"	929.786323	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+NH4"	18.033823
"1689218"	321.951323	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+NH4"	18.033823
"334214"	313.4380495	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+H+NH4"	19.041099
"729918"	465.3967995	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+H+NH4"	19.041099
"1481185"	161.4792995	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H+NH4"	19.041099
"402422"	630.824218	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+Na"	22.989218
"766700"	934.741718	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+Na"	22.989218
"1613706"	326.906718	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Na"	22.989218
"328117"	315.915747	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+H+Na"	23.996494
"718350"	467.874497	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+H+Na"	23.996494
"1465614"	163.956997	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H+Na"	23.996494
"1058858"	109.640423333333	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2H+Na"	25.00377
"1267096"	336.950986	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+CH3OH+H"	33.033486
"382390"	646.798158	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+K"	38.963158
"742292"	950.715658	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+K"	38.963158
"1541186"	342.880658	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+K"	38.963158
"306991"	323.902717	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+H+K"	39.970434
"698318"	475.861467	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+H+K"	39.970434
"1453235"	171.943967	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H+K"	39.970434
"245120"	649.868826	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+ACN+H"	42.033826
"1216736"	345.951326	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+ACN+H"	42.033826
"1202807"	173.479301	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+ACN+2H"	43.041102
"192760"	652.80616	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+2Na-H"	44.97116
"635235"	956.72366	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+2Na-H"	44.97116
"1137284"	348.88866	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2Na-H"	44.97116
"178022"	326.906718	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+2Na"	45.978436
"618675"	478.865468	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+2Na"	45.978436
"1122546"	174.947968	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2Na"	45.978436
"1408621"	116.967737333333	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H+2Na"	46.985712
"1435268"	350.930246	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H+HCOOH"	47.012746
"225694"	331.93974	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+3H2O+2H"	56.04448
"1511934"	364.98229	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+IsoProp+H"	61.06479
"417090"	334.893688	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+Na+K"	61.952376
"776994"	486.852438	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+Na+K"	61.952376
"1669681"	182.934938	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Na+K"	61.952376
"254376"	671.850768	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+ACN+Na"	64.015768
"1229638"	367.933268	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+ACN+Na"	64.015768
"1717432"	367.956793	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+NH4+HCOOH"	64.039293
"1188985"	124.295051333333	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+3Na"	68.967654
"1655232"	372.912188	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Na+HCOOH"	68.994688
"160271"	684.75404	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+2K-H"	76.91904
"608585"	988.67154	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+2K-H"	76.91904
"1090911"	380.83654	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2K-H"	76.91904
"146636"	342.880658	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"2M+2K"	77.926316
"592396"	494.839408	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"3M+2K"	77.926316
"1075083"	190.921908	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2K"	77.926316
"1112671"	382.851092	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2K+H"	78.933592
"1348328"	382.938707	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+DMSO+H"	79.021207
"1019042"	386.977876	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2ACN+H"	83.060376
"1538263"	387.971508	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+IsoProp+Na+H"	84.054008
"1003984"	193.992576	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+2ACN+2H"	84.067652
"1598856"	388.886128	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+K+HCOOH"	84.968628
"1427429"	418.917638	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+H+CF3COOH"	115.000138
"1161727"	214.505851	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+3ACN+2H"	125.094202
"1712599"	435.944185	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+NH4+CF3COOH"	132.026685
"1648748"	440.89958	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+Na+CF3COOH"	136.98208
"1584400"	456.87352	"C15229"	"Ziram"	"(C3H6NS2)2Zn"	"303.9175"	"M+K+CF3COOH"	152.95602
"808203"	288.0949	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M"	0
"985018"	269.07651	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-H2O-H"	-19.01839
"65606"	191.055990666667	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M-3H"	-3.021828
"503033"	287.087624	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M-3H"	-3.021828
"892813"	95.0243573333333	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-3H"	-3.021828
"7014"	287.087624	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M-2H"	-2.014552
"440861"	431.135074	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M-2H"	-2.014552
"817215"	143.040174	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-2H"	-2.014552
"78771"	575.182524	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M-H"	-1.007276
"518774"	863.277424	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M-H"	-1.007276
"898447"	287.087624	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-H"	-1.007276
"48448"	592.209071	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M-2H+NH4"	16.019271
"490195"	880.303971	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M-2H+NH4"	16.019271
"872373"	304.114171	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-2H+NH4"	16.019271
"40274"	597.164466	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M-2H+Na"	20.974666
"483844"	885.259366	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M-2H+Na"	20.974666
"857635"	309.069566	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-2H+Na"	20.974666
"1629356"	309.069566	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Na-2H"	20.974666
"104790"	305.075963	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M-H+Cl"	33.962126
"545445"	449.123413	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M-H+Cl"	33.962126
"933864"	161.028513	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-H+Cl"	33.962126
"270962"	611.159202	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+Cl"	34.969402
"668852"	899.254102	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+Cl"	34.969402
"1281255"	323.064302	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Cl"	34.969402
"21623"	613.138406	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M-2H+K"	36.948606
"471034"	901.233306	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M-2H+K"	36.948606
"846283"	325.043506	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-2H+K"	36.948606
"1561748"	325.043506	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+K-2H"	36.948606
"949271"	333.093094	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-H+HCOOH"	44.998194
"370404"	621.188001	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+HCOOH-H"	44.998201
"353558"	635.203651	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+Hac-H"	59.013851
"1496921"	347.108751	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Hac-H"	59.013851
"963369"	355.075051	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-H+NaCOOH"	66.980151
"114463"	323.064302	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+2Cl"	69.938804
"554023"	467.111752	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+2Cl"	69.938804
"1027197"	179.016852	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2Cl"	69.938804
"1242761"	367.013785	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Br"	78.918885
"1308128"	369.069772	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Cl+HCOOH"	80.974872
"1323439"	391.051729	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Cl+NaCOOH"	102.956829
"915590"	401.080486	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M-H+CF3COOH"	112.985586
"1293392"	437.057164	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Cl+CF3COOH"	148.962264
"1370823"	253.082224	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H-2H2O"	-35.012676
"1386867"	271.0922	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H-H2O"	-17.0027
"286556"	577.197076	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+H"	1.007276
"678976"	865.291976	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+H"	1.007276
"1353138"	289.102176	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H"	1.007276
"129306"	289.102176	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+2H"	2.014552
"567773"	433.149626	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+2H"	2.014552
"1040944"	145.054726	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2H"	2.014552
"207752"	193.070542666667	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+3H"	3.021828
"645368"	289.102176	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+3H"	3.021828
"1168717"	97.0389093333333	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+3H"	3.021828
"424810"	594.223623	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+NH4"	18.033823
"794091"	882.318523	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+NH4"	18.033823
"1689328"	306.128723	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+NH4"	18.033823
"333595"	297.6154495	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+H+NH4"	19.041099
"729299"	441.6628995	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+H+NH4"	19.041099
"1480566"	153.5679995	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H+NH4"	19.041099
"401438"	599.179018	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+Na"	22.989218
"767903"	887.273918	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+Na"	22.989218
"1612723"	311.084118	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Na"	22.989218
"329201"	300.093147	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+H+Na"	23.996494
"718460"	444.140597	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+H+Na"	23.996494
"1471189"	156.045697	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H+Na"	23.996494
"1060060"	104.366223333333	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2H+Na"	25.00377
"1266111"	321.128386	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+CH3OH+H"	33.033486
"380312"	615.152958	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+K"	38.963158
"745682"	903.247858	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+K"	38.963158
"1541173"	327.058058	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+K"	38.963158
"300535"	308.080117	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+H+K"	39.970434
"698428"	452.127567	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+H+K"	39.970434
"1453345"	164.032667	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H+K"	39.970434
"245230"	618.223626	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+ACN+H"	42.033826
"1220126"	330.128726	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+ACN+H"	42.033826
"1205833"	165.568001	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+ACN+2H"	43.041102
"197974"	621.16096	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+2Na-H"	44.97116
"634617"	909.25586	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+2Na-H"	44.97116
"1137030"	333.06606	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2Na-H"	44.97116
"178863"	311.084118	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+2Na"	45.978436
"618057"	455.131568	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+2Na"	45.978436
"1124114"	167.036668	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2Na"	45.978436
"1408732"	111.693537333333	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H+2Na"	46.985712
"1434650"	335.107646	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H+HCOOH"	47.012746
"228356"	316.11714	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+3H2O+2H"	56.04448
"1515326"	349.15969	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+IsoProp+H"	61.06479
"417200"	319.071088	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+Na+K"	61.952376
"777104"	463.118538	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+Na+K"	61.952376
"1671250"	175.023638	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Na+K"	61.952376
"257768"	640.205568	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+ACN+Na"	64.015768
"1231571"	352.110668	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+ACN+Na"	64.015768
"1720458"	352.134193	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+NH4+HCOOH"	64.039293
"1189095"	119.020851333333	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+3Na"	68.967654
"1655342"	357.089588	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Na+HCOOH"	68.994688
"160381"	653.10884	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+2K-H"	76.91904
"606143"	941.20374	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+2K-H"	76.91904
"1091021"	365.01394	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2K-H"	76.91904
"143466"	327.058058	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"2M+2K"	77.926316
"587399"	471.105508	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"3M+2K"	77.926316
"1077377"	183.010608	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2K"	77.926316
"1111685"	367.028492	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2K+H"	78.933592
"1349530"	367.116107	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+DMSO+H"	79.021207
"1018421"	371.155276	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2ACN+H"	83.060376
"1539547"	372.148908	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+IsoProp+Na+H"	84.054008
"1004093"	186.081276	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+2ACN+2H"	84.067652
"1601029"	373.063528	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+K+HCOOH"	84.968628
"1428635"	403.095038	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+H+CF3COOH"	115.000138
"1161108"	206.594551	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+3ACN+2H"	125.094202
"1711388"	420.121585	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+NH4+CF3COOH"	132.026685
"1649226"	425.07698	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+Na+CF3COOH"	136.98208
"1584510"	441.05092	"C15230"	"Iprobenfos;IBP;Kitazin P;S-Benzyl OO-diisopropyl phosphorothioate"	"C13H21O3PS"	"288.0949"	"M+K+CF3COOH"	152.95602
"805034"	273.8705	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M"	0
"978568"	254.85211	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-H2O-H"	-19.01839
"68999"	181.573057333333	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M-3H"	-3.021828
"515121"	272.863224	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M-3H"	-3.021828
"886362"	90.2828906666667	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-3H"	-3.021828
"2749"	272.863224	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M-2H"	-2.014552
"441337"	409.798474	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M-2H"	-2.014552
"817433"	135.927974	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-2H"	-2.014552
"78794"	546.733724	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M-H"	-1.007276
"519293"	820.604224	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M-H"	-1.007276
"899647"	272.863224	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-H"	-1.007276
"51836"	563.760271	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M-2H+NH4"	16.019271
"491398"	837.630771	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M-2H+NH4"	16.019271
"873577"	289.889771	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-2H+NH4"	16.019271
"38197"	568.715666	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M-2H+Na"	20.974666
"477757"	842.586166	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M-2H+Na"	20.974666
"856654"	294.845166	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-2H+Na"	20.974666
"1629466"	294.845166	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Na-2H"	20.974666
"104901"	290.851563	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M-H+Cl"	33.962126
"543375"	427.786813	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M-H+Cl"	33.962126
"931422"	153.916313	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-H+Cl"	33.962126
"273260"	582.710402	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+Cl"	34.969402
"666774"	856.580902	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+Cl"	34.969402
"1280269"	308.839902	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Cl"	34.969402
"22836"	584.689606	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M-2H+K"	36.948606
"465676"	858.560106	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M-2H+K"	36.948606
"844571"	310.819106	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-2H+K"	36.948606
"1559312"	310.819106	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+K-2H"	36.948606
"955945"	318.868694	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-H+HCOOH"	44.998194
"370515"	592.739201	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+HCOOH-H"	44.998201
"347470"	606.754851	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+Hac-H"	59.013851
"1500314"	332.884351	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Hac-H"	59.013851
"961294"	340.850651	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-H+NaCOOH"	66.980151
"112387"	308.839902	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+2Cl"	69.938804
"551578"	445.775152	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+2Cl"	69.938804
"1024022"	171.904652	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2Cl"	69.938804
"1242506"	352.789385	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Br"	78.918885
"1305684"	354.845372	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Cl+HCOOH"	80.974872
"1321359"	376.827329	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Cl+NaCOOH"	102.956829
"914239"	386.856086	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M-H+CF3COOH"	112.985586
"1291318"	422.832764	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Cl+CF3COOH"	148.962264
"1376043"	238.857824	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H-2H2O"	-35.012676
"1385883"	256.8678	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H-H2O"	-17.0027
"284476"	548.748276	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+H"	1.007276
"676128"	822.618776	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+H"	1.007276
"1353245"	274.877776	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H"	1.007276
"128323"	274.877776	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+2H"	2.014552
"570070"	411.813026	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+2H"	2.014552
"1041054"	137.942526	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2H"	2.014552
"205186"	183.587609333333	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+3H"	3.021828
"648517"	274.877776	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+3H"	3.021828
"1166648"	92.2974426666667	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+3H"	3.021828
"432113"	565.774823	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+NH4"	18.033823
"793109"	839.645323	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+NH4"	18.033823
"1687252"	291.904323	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+NH4"	18.033823
"334804"	283.3910495	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+H+NH4"	19.041099
"729773"	420.3262995	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+H+NH4"	19.041099
"1483963"	146.4557995	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H+NH4"	19.041099
"405563"	570.730218	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+Na"	22.989218
"765829"	844.600718	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+Na"	22.989218
"1615021"	296.859718	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Na"	22.989218
"326152"	285.868747	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+H+Na"	23.996494
"714198"	422.803997	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+H+Na"	23.996494
"1468016"	148.933497	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H+Na"	23.996494
"1057983"	99.6247566666667	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2H+Na"	25.00377
"1262943"	306.903986	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+CH3OH+H"	33.033486
"380422"	586.704158	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+K"	38.963158
"739350"	860.574658	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+K"	38.963158
"1542375"	312.833658	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+K"	38.963158
"303931"	293.855717	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+H+K"	39.970434
"696353"	430.790967	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+H+K"	39.970434
"1451267"	156.920467	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H+K"	39.970434
"246434"	589.774826	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+ACN+H"	42.033826
"1214769"	315.904326	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+ACN+H"	42.033826
"1197191"	158.455801	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+ACN+2H"	43.041102
"192615"	592.71216	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+2Na-H"	44.97116
"635455"	866.58266	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+2Na-H"	44.97116
"1138963"	318.84166	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2Na-H"	44.97116
"181157"	296.859718	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+2Na"	45.978436
"619259"	433.794968	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+2Na"	45.978436
"1119483"	159.924468	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2Na"	45.978436
"1401548"	106.952070666667	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H+2Na"	46.985712
"1434760"	320.883246	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H+HCOOH"	47.012746
"231381"	301.89274	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+3H2O+2H"	56.04448
"1518716"	334.93529	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+IsoProp+H"	61.06479
"417310"	304.846688	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+Na+K"	61.952376
"778308"	441.781938	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+Na+K"	61.952376
"1670263"	167.911438	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Na+K"	61.952376
"257877"	611.756768	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+ACN+Na"	64.015768
"1230586"	337.886268	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+ACN+Na"	64.015768
"1715830"	337.909793	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+NH4+HCOOH"	64.039293
"1178790"	114.279384666667	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+3Na"	68.967654
"1658370"	342.865188	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Na+HCOOH"	68.994688
"163773"	624.66004	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+2K-H"	76.91904
"602606"	898.53054	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+2K-H"	76.91904
"1087851"	350.78954	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2K-H"	76.91904
"143576"	312.833658	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"2M+2K"	77.926316
"582162"	449.768908	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"3M+2K"	77.926316
"1069469"	175.898408	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2K"	77.926316
"1109608"	352.804092	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2K+H"	78.933592
"1342711"	352.891707	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+DMSO+H"	79.021207
"1017802"	356.930876	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2ACN+H"	83.060376
"1539087"	357.924508	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+IsoProp+Na+H"	84.054008
"1004931"	178.969076	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+2ACN+2H"	84.067652
"1601262"	358.839128	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+K+HCOOH"	84.968628
"1428745"	388.870638	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+H+CF3COOH"	115.000138
"1161947"	199.482351	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+3ACN+2H"	125.094202
"1711862"	405.897185	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+NH4+CF3COOH"	132.026685
"1643499"	410.85258	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+Na+CF3COOH"	136.98208
"1584621"	426.82652	"C15232"	"Zineb"	"C4H6N2S4Zn"	"273.8705"	"M+K+CF3COOH"	152.95602
"808424"	183.8411	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M"	0
"978678"	164.82271	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-H2O-H"	-19.01839
"68016"	121.553457333333	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M-3H"	-3.021828
"515231"	182.833824	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M-3H"	-3.021828
"886472"	60.2730906666667	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-3H"	-3.021828
"1766"	182.833824	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M-2H"	-2.014552
"442419"	274.754374	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M-2H"	-2.014552
"817785"	90.913274	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-2H"	-2.014552
"81668"	366.674924	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M-H"	-1.007276
"520008"	550.516024	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M-H"	-1.007276
"899757"	182.833824	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-H"	-1.007276
"51946"	383.701471	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M-2H+NH4"	16.019271
"491508"	567.542571	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M-2H+NH4"	16.019271
"870407"	199.860371	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-2H+NH4"	16.019271
"37213"	388.656866	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M-2H+Na"	20.974666
"477867"	572.497966	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M-2H+Na"	20.974666
"859680"	204.815766	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-2H+Na"	20.974666
"1628483"	204.815766	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Na-2H"	20.974666
"102823"	200.822163	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M-H+Cl"	33.962126
"543485"	292.742713	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M-H+Cl"	33.962126
"929345"	108.901613	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-H+Cl"	33.962126
"274463"	402.651602	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+Cl"	34.969402
"664695"	586.492702	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+Cl"	34.969402
"1276004"	218.810502	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Cl"	34.969402
"20759"	404.630806	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M-2H+K"	36.948606
"463599"	588.471906	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M-2H+K"	36.948606
"844681"	220.789706	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-2H+K"	36.948606
"1558329"	220.789706	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+K-2H"	36.948606
"945480"	228.839294	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-H+HCOOH"	44.998194
"365521"	412.680401	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+HCOOH-H"	44.998201
"347944"	426.696051	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+Hac-H"	59.013851
"1497144"	242.854951	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Hac-H"	59.013851
"961403"	250.821251	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-H+NaCOOH"	66.980151
"115771"	218.810502	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+2Cl"	69.938804
"553145"	310.731052	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+2Cl"	69.938804
"1025224"	126.889952	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2Cl"	69.938804
"1247354"	262.759985	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Br"	78.918885
"1307252"	264.815972	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Cl+HCOOH"	80.974872
"1322198"	286.797929	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Cl+NaCOOH"	102.956829
"916171"	296.826686	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M-H+CF3COOH"	112.985586
"1291428"	332.803364	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Cl+CF3COOH"	148.962264
"1372873"	148.828424	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H-2H2O"	-35.012676
"1384533"	166.8384	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H-H2O"	-17.0027
"284582"	368.689476	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+H"	1.007276
"676644"	552.530576	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+H"	1.007276
"1351652"	184.848376	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H"	1.007276
"127340"	184.848376	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+2H"	2.014552
"569088"	276.768926	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+2H"	2.014552
"1038127"	92.927826	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2H"	2.014552
"204931"	123.568009333333	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+3H"	3.021828
"645344"	184.848376	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+3H"	3.021828
"1165300"	62.2876426666667	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+3H"	3.021828
"432587"	385.716023	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+NH4"	18.033823
"793583"	569.557123	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+NH4"	18.033823
"1691736"	201.874923	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+NH4"	18.033823
"337831"	193.3616495	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+H+NH4"	19.041099
"731342"	285.2821995	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+H+NH4"	19.041099
"1482979"	101.4410995	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H+NH4"	19.041099
"403848"	390.671418	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+Na"	22.989218
"763751"	574.512518	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+Na"	22.989218
"1615132"	206.830318	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Na"	22.989218
"328085"	195.839347	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+H+Na"	23.996494
"713215"	287.759897	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+H+Na"	23.996494
"1465940"	103.918797	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H+Na"	23.996494
"1058093"	69.6149566666667	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2H+Na"	25.00377
"1263052"	216.874586	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+CH3OH+H"	33.033486
"379803"	406.645358	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+K"	38.963158
"742255"	590.486458	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+K"	38.963158
"1544673"	222.804258	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+K"	38.963158
"305135"	203.826317	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+H+K"	39.970434
"697557"	295.746867	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+H+K"	39.970434
"1451377"	111.905767	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H+K"	39.970434
"246544"	409.716026	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+ACN+H"	42.033826
"1215972"	225.874926	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+ACN+H"	42.033826
"1197666"	113.441101	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+ACN+2H"	43.041102
"196007"	412.65336	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+2Na-H"	44.97116
"634472"	596.49446	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+2Na-H"	44.97116
"1142719"	228.81226	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2Na-H"	44.97116
"181267"	206.830318	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+2Na"	45.978436
"620097"	298.750868	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+2Na"	45.978436
"1119593"	114.909768	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2Na"	45.978436
"1403117"	76.9422706666667	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H+2Na"	46.985712
"1434506"	230.853846	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H+HCOOH"	47.012746
"230763"	211.86334	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+3H2O+2H"	56.04448
"1518462"	244.90589	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+IsoProp+H"	61.06479
"413046"	214.817288	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+Na+K"	61.952376
"780604"	306.737838	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+Na+K"	61.952376
"1670372"	122.896738	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Na+K"	61.952376
"259080"	431.697968	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+ACN+Na"	64.015768
"1229603"	247.856868	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+ACN+Na"	64.015768
"1718856"	247.880393	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+NH4+HCOOH"	64.039293
"1179146"	84.2695846666667	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+3Na"	68.967654
"1653740"	252.835788	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Na+HCOOH"	68.994688
"162425"	444.60124	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+2K-H"	76.91904
"603446"	628.44234	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+2K-H"	76.91904
"1096344"	260.76014	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2K-H"	76.91904
"149153"	222.804258	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"2M+2K"	77.926316
"586525"	314.724808	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"3M+2K"	77.926316
"1074318"	130.883708	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2K"	77.926316
"1112998"	262.774692	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2K+H"	78.933592
"1347195"	262.862307	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+DMSO+H"	79.021207
"1021034"	266.901476	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2ACN+H"	83.060376
"1538592"	267.895108	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+IsoProp+Na+H"	84.054008
"1003583"	133.954376	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+2ACN+2H"	84.067652
"1599181"	268.809728	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+K+HCOOH"	84.968628
"1429663"	298.841238	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+H+CF3COOH"	115.000138
"1160234"	154.467651	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+3ACN+2H"	125.094202
"1711971"	315.867785	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+NH4+CF3COOH"	132.026685
"1641422"	320.82318	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+Na+CF3COOH"	136.98208
"1584731"	336.79712	"C15233"	"Cadmium chloride"	"CdCl2"	"183.8411"	"M+K+CF3COOH"	152.95602
"806347"	331.9523	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M"	0
"975872"	312.93391	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-H2O-H"	-19.01839
"73594"	220.294257333333	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M-3H"	-3.021828
"516437"	330.945024	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M-3H"	-3.021828
"892779"	109.643490666667	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-3H"	-3.021828
"7344"	330.945024	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M-2H"	-2.014552
"441070"	496.921174	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M-2H"	-2.014552
"817898"	164.968874	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-2H"	-2.014552
"79219"	662.897324	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M-H"	-1.007276
"519018"	994.849624	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M-H"	-1.007276
"899870"	330.945024	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-H"	-1.007276
"49506"	679.923871	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M-2H+NH4"	16.019271
"495995"	1011.876171	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M-2H+NH4"	16.019271
"866871"	347.971571	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-2H+NH4"	16.019271
"37323"	684.879266	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M-2H+Na"	20.974666
"479072"	1016.831566	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M-2H+Na"	20.974666
"858698"	352.926966	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-2H+Na"	20.974666
"1627499"	352.926966	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Na-2H"	20.974666
"100746"	348.933363	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M-H+Cl"	33.962126
"543595"	514.909513	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M-H+Cl"	33.962126
"936016"	182.957213	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-H+Cl"	33.962126
"275667"	698.874002	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+Cl"	34.969402
"664805"	1030.826302	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+Cl"	34.969402
"1277207"	366.921702	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Cl"	34.969402
"23056"	700.853206	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M-2H+K"	36.948606
"466989"	1032.805506	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M-2H+K"	36.948606
"841510"	368.900906	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-2H+K"	36.948606
"1561719"	368.900906	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+K-2H"	36.948606
"949602"	376.950494	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-H+HCOOH"	44.998194
"365631"	708.902801	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+HCOOH-H"	44.998201
"350608"	722.918451	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+Hac-H"	59.013851
"1495067"	390.966151	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Hac-H"	59.013851
"958872"	398.932451	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-H+NaCOOH"	66.980151
"114789"	366.921702	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+2Cl"	69.938804
"551188"	532.897852	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+2Cl"	69.938804
"1024606"	200.945552	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2Cl"	69.938804
"1244548"	410.871185	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Br"	78.918885
"1307362"	412.927172	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Cl+HCOOH"	80.974872
"1320241"	434.909129	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Cl+NaCOOH"	102.956829
"914823"	444.937886	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M-H+CF3COOH"	112.985586
"1290445"	480.914564	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Cl+CF3COOH"	148.962264
"1372983"	296.939624	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H-2H2O"	-35.012676
"1385011"	314.9496	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H-H2O"	-17.0027
"283600"	664.911876	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+H"	1.007276
"676023"	996.864176	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+H"	1.007276
"1351641"	332.959576	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H"	1.007276
"130732"	332.959576	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+2H"	2.014552
"569198"	498.935726	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+2H"	2.014552
"1037628"	166.983426	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2H"	2.014552
"205285"	222.308809333333	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+3H"	3.021828
"645455"	332.959576	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+3H"	3.021828
"1163953"	111.658042666667	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+3H"	3.021828
"432697"	681.938423	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+NH4"	18.033823
"793331"	1013.890723	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+NH4"	18.033823
"1691846"	349.986123	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+NH4"	18.033823
"339034"	341.4728495	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+H+NH4"	19.041099
"731452"	507.4489995	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+H+NH4"	19.041099
"1483089"	175.4966995	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H+NH4"	19.041099
"403958"	686.893818	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+Na"	22.989218
"766049"	1018.846118	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+Na"	22.989218
"1615242"	354.941518	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Na"	22.989218
"328558"	343.950547	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+H+Na"	23.996494
"708951"	509.926697	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+H+Na"	23.996494
"1468239"	177.974397	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H+Na"	23.996494
"1057108"	118.985356666667	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2H+Na"	25.00377
"1263161"	364.985786	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+CH3OH+H"	33.033486
"378814"	702.867758	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+K"	38.963158
"740542"	1034.820058	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+K"	38.963158
"1541866"	370.915458	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+K"	38.963158
"300134"	351.937517	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+H+K"	39.970434
"700949"	517.913667	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+H+K"	39.970434
"1453678"	185.961367	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H+K"	39.970434
"250182"	705.938426	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+ACN+H"	42.033826
"1222643"	373.986126	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+ACN+H"	42.033826
"1201059"	187.496701	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+ACN+2H"	43.041102
"196117"	708.87576	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+2Na-H"	44.97116
"635677"	1040.82806	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+2Na-H"	44.97116
"1143193"	376.92346	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2Na-H"	44.97116
"183203"	354.941518	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+2Na"	45.978436
"620939"	520.917668	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+2Na"	45.978436
"1124444"	188.965368	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2Na"	45.978436
"1407604"	126.312670666667	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H+2Na"	46.985712
"1439722"	378.965046	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H+HCOOH"	47.012746
"229779"	359.97454	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+3H2O+2H"	56.04448
"1514564"	393.01709	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+IsoProp+H"	61.06479
"419720"	362.928488	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+Na+K"	61.952376
"778528"	528.904638	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+Na+K"	61.952376
"1673037"	196.952338	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Na+K"	61.952376
"258097"	727.920368	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+ACN+Na"	64.015768
"1231899"	395.968068	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+ACN+Na"	64.015768
"1720792"	395.991593	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+NH4+HCOOH"	64.039293
"1184686"	133.639984666667	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+3Na"	68.967654
"1656037"	400.946988	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Na+HCOOH"	68.994688
"157261"	740.82364	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+2K-H"	76.91904
"602459"	1072.77594	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+2K-H"	76.91904
"1091350"	408.87134	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2K-H"	76.91904
"151449"	370.915458	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"2M+2K"	77.926316
"589551"	536.891608	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"3M+2K"	77.926316
"1080990"	204.939308	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2K"	77.926316
"1112382"	410.885892	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2K+H"	78.933592
"1347305"	410.973507	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+DMSO+H"	79.021207
"1020699"	415.012676	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2ACN+H"	83.060376
"1538825"	416.006308	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+IsoProp+Na+H"	84.054008
"1001506"	208.009976	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+2ACN+2H"	84.067652
"1599293"	416.920928	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+K+HCOOH"	84.968628
"1419485"	446.952438	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+H+CF3COOH"	115.000138
"1155240"	228.523251	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+3ACN+2H"	125.094202
"1711717"	463.978985	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+NH4+CF3COOH"	132.026685
"1649186"	468.93438	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+Na+CF3COOH"	136.98208
"1584841"	484.90832	"C15234"	"Lead nitrate"	"Pb(NO3)2"	"331.9523"	"M+K+CF3COOH"	152.95602
"814114"	225.8104	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M"	0
"976711"	206.79201	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-H2O-H"	-19.01839
"73704"	149.532990666667	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M-3H"	-3.021828
"512173"	224.803124	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M-3H"	-3.021828
"889974"	74.2628573333333	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-3H"	-3.021828
"10735"	224.803124	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M-2H"	-2.014552
"445920"	337.708324	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M-2H"	-2.014552
"818618"	111.897924	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-2H"	-2.014552
"79456"	450.613524	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M-H"	-1.007276
"526555"	676.423924	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M-H"	-1.007276
"903263"	224.803124	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-H"	-1.007276
"55450"	467.640071	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M-2H+NH4"	16.019271
"496836"	693.450471	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M-2H+NH4"	16.019271
"871720"	241.829671	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-2H+NH4"	16.019271
"42537"	472.595466	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M-2H+Na"	20.974666
"479182"	698.405866	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M-2H+Na"	20.974666
"861724"	246.785066	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-2H+Na"	20.974666
"1626516"	246.785066	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Na-2H"	20.974666
"100857"	242.791463	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M-H+Cl"	33.962126
"543705"	355.696663	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M-H+Cl"	33.962126
"936127"	129.886263	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-H+Cl"	33.962126
"280151"	486.590202	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+Cl"	34.969402
"663457"	712.400602	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+Cl"	34.969402
"1276588"	260.779802	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Cl"	34.969402
"23165"	488.569406	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M-2H+K"	36.948606
"467099"	714.379806	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M-2H+K"	36.948606
"841620"	262.759006	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-2H+K"	36.948606
"1562923"	262.759006	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+K-2H"	36.948606
"949712"	270.808594	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-H+HCOOH"	44.998194
"369022"	496.619001	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+HCOOH-H"	44.998201
"350718"	510.634651	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+Hac-H"	59.013851
"1498459"	284.824251	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Hac-H"	59.013851
"961625"	292.790551	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-H+NaCOOH"	66.980151
"111009"	260.779802	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+2Cl"	69.938804
"551298"	373.685002	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+2Cl"	69.938804
"1023015"	147.874602	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2Cl"	69.938804
"1241985"	304.729285	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Br"	78.918885
"1305409"	306.785272	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Cl+HCOOH"	80.974872
"1321693"	328.767229	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Cl+NaCOOH"	102.956829
"914206"	338.795986	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M-H+CF3COOH"	112.985586
"1290919"	374.772664	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Cl+CF3COOH"	148.962264
"1373093"	190.797724	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H-2H2O"	-35.012676
"1385121"	208.8077	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H-H2O"	-17.0027
"284808"	452.628076	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+H"	1.007276
"676254"	678.438476	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+H"	1.007276
"1352032"	226.817676	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H"	1.007276
"130842"	226.817676	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+2H"	2.014552
"568579"	339.722876	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+2H"	2.014552
"1037981"	113.912476	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2H"	2.014552
"204462"	151.547542666667	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+3H"	3.021828
"647753"	226.817676	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+3H"	3.021828
"1166979"	76.2774093333333	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+3H"	3.021828
"435725"	469.654623	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+NH4"	18.033823
"799274"	695.465023	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+NH4"	18.033823
"1690863"	243.844223	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+NH4"	18.033823
"342423"	235.3309495	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+H+NH4"	19.041099
"731561"	348.2361495	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+H+NH4"	19.041099
"1482103"	122.4257495	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H+NH4"	19.041099
"396410"	474.610018	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+Na"	22.989218
"756315"	700.420418	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+Na"	22.989218
"1603316"	248.799618	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Na"	22.989218
"316634"	237.808647	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+H+Na"	23.996494
"707967"	350.713847	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+H+Na"	23.996494
"1463974"	124.903447	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H+Na"	23.996494
"1054060"	83.6047233333333	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2H+Na"	25.00377
"1257269"	258.843886	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+CH3OH+H"	33.033486
"378196"	490.583958	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+K"	38.963158
"739307"	716.394358	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+K"	38.963158
"1540635"	264.773558	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+K"	38.963158
"299148"	245.795617	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+H+K"	39.970434
"701059"	358.700817	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+H+K"	39.970434
"1453784"	132.890417	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H+K"	39.970434
"251025"	493.654626	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+ACN+H"	42.033826
"1223119"	267.844226	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+ACN+H"	42.033826
"1209196"	134.425751	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+ACN+2H"	43.041102
"203769"	496.59196	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+2Na-H"	44.97116
"644064"	722.40236	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+2Na-H"	44.97116
"1146585"	270.78156	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2Na-H"	44.97116
"182949"	248.799618	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+2Na"	45.978436
"628180"	361.704818	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+2Na"	45.978436
"1130025"	135.894418	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2Na"	45.978436
"1410632"	90.9320373333333	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H+2Na"	46.985712
"1441290"	272.823146	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H+HCOOH"	47.012746
"230622"	253.83264	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+3H2O+2H"	56.04448
"1517956"	286.87519	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+IsoProp+H"	61.06479
"423114"	256.786588	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+Na+K"	61.952376
"776816"	369.691788	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+Na+K"	61.952376
"1678249"	143.881388	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Na+K"	61.952376
"260394"	515.636568	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+ACN+Na"	64.015768
"1237477"	289.826168	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+ACN+Na"	64.015768
"1721993"	289.849693	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+NH4+HCOOH"	64.039293
"1186255"	98.2593513333333	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+3Na"	68.967654
"1657240"	294.805088	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Na+HCOOH"	68.994688
"161915"	528.53984	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+2K-H"	76.91904
"598437"	754.35024	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+2K-H"	76.91904
"1088179"	302.72944	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2K-H"	76.91904
"146090"	264.773558	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"2M+2K"	77.926316
"586746"	377.678758	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"3M+2K"	77.926316
"1078916"	151.868358	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2K"	77.926316
"1106657"	304.743992	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2K+H"	78.933592
"1348509"	304.831607	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+DMSO+H"	79.021207
"1017041"	308.870776	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2ACN+H"	83.060376
"1536259"	309.864408	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+IsoProp+Na+H"	84.054008
"1002708"	154.939026	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+2ACN+2H"	84.067652
"1600492"	310.779028	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+K+HCOOH"	84.968628
"1428339"	340.810538	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+H+CF3COOH"	115.000138
"1160692"	175.452301	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+3ACN+2H"	125.094202
"1712191"	357.837085	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+NH4+CF3COOH"	132.026685
"1639455"	362.79248	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+Na+CF3COOH"	136.98208
"1584951"	378.76642	"C15235"	"Antimony trichloride;Antimony(III) chloride;Trichlorostibine"	"SbCl3"	"225.8104"	"M+K+CF3COOH"	152.95602
"805474"	285.9355	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M"	0
"977185"	266.91711	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-H2O-H"	-19.01839
"74907"	189.616390666667	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M-3H"	-3.021828
"512282"	284.928224	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M-3H"	-3.021828
"890084"	94.3045573333333	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-3H"	-3.021828
"3918"	284.928224	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M-2H"	-2.014552
"446394"	427.895974	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M-2H"	-2.014552
"819456"	141.960474	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-2H"	-2.014552
"79204"	570.863724	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M-H"	-1.007276
"525571"	856.799224	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M-H"	-1.007276
"900456"	284.928224	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-H"	-1.007276
"58112"	587.890271	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M-2H+NH4"	16.019271
"496946"	873.825771	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M-2H+NH4"	16.019271
"873653"	301.954771	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-2H+NH4"	16.019271
"41918"	592.845666	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M-2H+Na"	20.974666
"480385"	878.781166	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M-2H+Na"	20.974666
"862927"	306.910166	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-2H+Na"	20.974666
"1626626"	306.910166	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Na-2H"	20.974666
"99874"	302.916563	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M-H+Cl"	33.962126
"539442"	445.884313	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M-H+Cl"	33.962126
"929676"	159.948813	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-H+Cl"	33.962126
"278075"	606.840402	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+Cl"	34.969402
"662839"	892.775902	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+Cl"	34.969402
"1277426"	320.904902	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Cl"	34.969402
"19995"	608.819606	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M-2H+K"	36.948606
"460649"	894.755106	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M-2H+K"	36.948606
"840637"	322.884106	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-2H+K"	36.948606
"1558657"	322.884106	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+K-2H"	36.948606
"949822"	330.933694	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-H+HCOOH"	44.998194
"368038"	616.869201	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+HCOOH-H"	44.998201
"349731"	630.884851	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+Hac-H"	59.013851
"1500755"	344.949351	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Hac-H"	59.013851
"961735"	352.915651	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-H+NaCOOH"	66.980151
"110635"	320.904902	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+2Cl"	69.938804
"550802"	463.872652	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+2Cl"	69.938804
"1022274"	177.937152	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2Cl"	69.938804
"1241852"	364.854385	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Br"	78.918885
"1305031"	366.910372	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Cl+HCOOH"	80.974872
"1322167"	388.892329	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Cl+NaCOOH"	102.956829
"912494"	398.921086	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M-H+CF3COOH"	112.985586
"1289204"	434.897764	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Cl+CF3COOH"	148.962264
"1376483"	250.922824	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H-2H2O"	-35.012676
"1383773"	268.9328	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H-H2O"	-17.0027
"284918"	572.878276	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+H"	1.007276
"677340"	858.813776	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+H"	1.007276
"1352349"	286.942776	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H"	1.007276
"129859"	286.942776	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+2H"	2.014552
"566257"	429.910526	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+2H"	2.014552
"1037482"	143.975026	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2H"	2.014552
"204571"	191.630942666667	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+3H"	3.021828
"647863"	286.942776	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+3H"	3.021828
"1163309"	96.3191093333333	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+3H"	3.021828
"432552"	589.904823	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+NH4"	18.033823
"793548"	875.840323	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+NH4"	18.033823
"1688783"	303.969323	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+NH4"	18.033823
"337062"	295.4560495	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+H+NH4"	19.041099
"729483"	438.4237995	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+H+NH4"	19.041099
"1481120"	152.4882995	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H+NH4"	19.041099
"395427"	594.860218	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+Na"	22.989218
"759705"	880.795718	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+Na"	22.989218
"1604522"	308.924718	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Na"	22.989218
"318932"	297.933747	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+H+Na"	23.996494
"709170"	440.901497	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+H+Na"	23.996494
"1462991"	154.965997	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H+Na"	23.996494
"1055507"	103.646423333333	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2H+Na"	25.00377
"1257825"	318.968986	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+CH3OH+H"	33.033486
"377655"	610.834158	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+K"	38.963158
"739420"	896.769658	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+K"	38.963158
"1539929"	324.898658	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+K"	38.963158
"298972"	305.920717	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+H+K"	39.970434
"697887"	448.888467	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+H+K"	39.970434
"1450613"	162.952967	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H+K"	39.970434
"240310"	613.904826	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+ACN+H"	42.033826
"1215573"	327.969326	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+ACN+H"	42.033826
"1201277"	164.488301	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+ACN+2H"	43.041102
"204205"	616.84216	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+2Na-H"	44.97116
"638815"	902.77766	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+2Na-H"	44.97116
"1146331"	330.90666	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2Na-H"	44.97116
"183423"	308.924718	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+2Na"	45.978436
"628330"	451.892468	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+2Na"	45.978436
"1127583"	165.956968	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2Na"	45.978436
"1411106"	110.973737333333	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H+2Na"	46.985712
"1440307"	332.948246	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H+HCOOH"	47.012746
"228909"	313.95774	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+3H2O+2H"	56.04448
"1520982"	347.00029	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+IsoProp+H"	61.06479
"423955"	316.911688	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+Na+K"	61.952376
"778020"	459.879438	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+Na+K"	61.952376
"1676901"	173.943938	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Na+K"	61.952376
"260504"	635.886768	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+ACN+Na"	64.015768
"1237587"	349.951268	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+ACN+Na"	64.015768
"1719187"	349.974793	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+NH4+HCOOH"	64.039293
"1185270"	118.301051333333	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+3Na"	68.967654
"1657350"	354.930188	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Na+HCOOH"	68.994688
"162391"	648.79004	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+2K-H"	76.91904
"601589"	934.72554	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+2K-H"	76.91904
"1088287"	362.85454	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2K-H"	76.91904
"146197"	324.898658	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"2M+2K"	77.926316
"586855"	467.866408	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"3M+2K"	77.926316
"1073555"	181.930908	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2K"	77.926316
"1103485"	364.869092	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2K+H"	78.933592
"1336093"	364.956707	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+DMSO+H"	79.021207
"1013867"	368.995876	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2ACN+H"	83.060376
"1534181"	369.989508	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+IsoProp+Na+H"	84.054008
"1002818"	185.001576	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+2ACN+2H"	84.067652
"1597321"	370.904128	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+K+HCOOH"	84.968628
"1426261"	400.935638	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+H+CF3COOH"	115.000138
"1158736"	205.514851	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+3ACN+2H"	125.094202
"1712260"	417.962185	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+NH4+CF3COOH"	132.026685
"1639565"	422.91758	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+Na+CF3COOH"	136.98208
"1585061"	438.89152	"C15236"	"8-Hydroxy-234-trichlorodibenzofuran"	"C12H5Cl3O2"	"285.9355"	"M+K+CF3COOH"	152.95602
"808864"	218.0135	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M"	0
"979118"	198.99511	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H2O-H"	-19.01839
"73924"	144.335057333333	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-3H"	-3.021828
"512392"	217.006224	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-3H"	-3.021828
"890194"	71.6638906666667	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-3H"	-3.021828
"3300"	217.006224	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H"	-2.014552
"446140"	326.012974	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H"	-2.014552
"817866"	107.999474	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H"	-2.014552
"78826"	435.019724	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-H"	-1.007276
"525681"	653.033224	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-H"	-1.007276
"903482"	217.006224	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H"	-1.007276
"55669"	452.046271	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H+NH4"	16.019271
"497785"	670.059771	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H+NH4"	16.019271
"870847"	234.032771	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H+NH4"	16.019271
"39841"	457.001666	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H+Na"	20.974666
"480495"	675.015166	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H+Na"	20.974666
"859027"	238.988166	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H+Na"	20.974666
"1625643"	238.988166	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na-2H"	20.974666
"101077"	234.994563	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-H+Cl"	33.962126
"538458"	344.001313	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-H+Cl"	33.962126
"930880"	125.987813	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+Cl"	33.962126
"274905"	470.996402	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Cl"	34.969402
"663677"	689.009902	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+Cl"	34.969402
"1278991"	252.982902	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl"	34.969402
"20103"	472.975606	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H+K"	36.948606
"460758"	690.989106	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H+K"	36.948606
"841840"	254.962106	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H+K"	36.948606
"1557795"	254.962106	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K-2H"	36.948606
"949932"	263.011694	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+HCOOH"	44.998194
"364137"	481.025201	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+HCOOH-H"	44.998201
"349841"	495.040851	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Hac-H"	59.013851
"1500864"	277.027351	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Hac-H"	59.013851
"959414"	284.993651	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+NaCOOH"	66.980151
"110105"	252.982902	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2Cl"	69.938804
"550308"	361.989652	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2Cl"	69.938804
"1021737"	143.976152	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2Cl"	69.938804
"1242325"	296.932385	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Br"	78.918885
"1304533"	298.988372	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl+HCOOH"	80.974872
"1320328"	320.970329	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl+NaCOOH"	102.956829
"913697"	330.999086	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+CF3COOH"	112.985586
"1289436"	366.975764	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl+CF3COOH"	148.962264
"1376593"	183.000824	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H-2H2O"	-35.012676
"1383519"	201.0108	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H-H2O"	-17.0027
"283934"	437.034276	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H"	1.007276
"676478"	655.047776	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H"	1.007276
"1351610"	219.020776	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H"	1.007276
"127783"	219.020776	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2H"	2.014552
"565682"	328.027526	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2H"	2.014552
"1037239"	110.014026	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2H"	2.014552
"204519"	146.349609333333	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+3H"	3.021828
"644685"	219.020776	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+3H"	3.021828
"1162974"	73.6784426666667	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+3H"	3.021828
"433755"	454.060823	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+NH4"	18.033823
"795846"	672.074323	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+NH4"	18.033823
"1689988"	236.047323	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+NH4"	18.033823
"337173"	227.5340495	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H+NH4"	19.041099
"729594"	336.5407995	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H+NH4"	19.041099
"1481230"	118.5272995	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+NH4"	19.041099
"394442"	459.016218	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Na"	22.989218
"758722"	677.029718	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+Na"	22.989218
"1604996"	241.002718	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na"	22.989218
"319042"	230.011747	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H+Na"	23.996494
"708430"	339.018497	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H+Na"	23.996494
"1465289"	121.004997	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+Na"	23.996494
"1055253"	81.0057566666667	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2H+Na"	25.00377
"1257655"	251.046986	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+CH3OH+H"	33.033486
"378052"	474.990158	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+K"	38.963158
"740870"	693.003658	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+K"	38.963158
"1544018"	256.976658	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K"	38.963158
"298999"	237.998717	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H+K"	39.970434
"692525"	347.005467	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H+K"	39.970434
"1447439"	128.991967	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+K"	39.970434
"240418"	478.060826	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+ACN+H"	42.033826
"1215314"	260.047326	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+ACN+H"	42.033826
"1200294"	130.527301	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+ACN+2H"	43.041102
"190248"	480.99816	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2Na-H"	44.97116
"638925"	699.01166	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2Na-H"	44.97116
"1141337"	262.98466	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2Na-H"	44.97116
"178430"	241.002718	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2Na"	45.978436
"628077"	350.009468	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2Na"	45.978436
"1125869"	131.995968	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2Na"	45.978436
"1409392"	88.3330706666667	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+2Na"	46.985712
"1440417"	265.026246	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+HCOOH"	47.012746
"230111"	246.03574	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+3H2O+2H"	56.04448
"1512708"	279.07829	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+IsoProp+H"	61.06479
"418958"	248.989688	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Na+K"	61.952376
"775578"	357.996438	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+Na+K"	61.952376
"1670813"	139.982938	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na+K"	61.952376
"258428"	500.042768	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+ACN+Na"	64.015768
"1232232"	282.029268	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+ACN+Na"	64.015768
"1719297"	282.052793	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+NH4+HCOOH"	64.039293
"1185744"	95.6603846666667	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+3Na"	68.967654
"1657460"	287.008188	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na+HCOOH"	68.994688
"162136"	512.94604	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2K-H"	76.91904
"602792"	730.95954	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2K-H"	76.91904
"1088397"	294.93254	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2K-H"	76.91904
"146307"	256.976658	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2K"	77.926316
"586965"	365.983408	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2K"	77.926316
"1072572"	147.969908	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2K"	77.926316
"1103595"	296.947092	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2K+H"	78.933592
"1338155"	297.034707	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+DMSO+H"	79.021207
"1013977"	301.073876	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2ACN+H"	83.060376
"1532104"	302.067508	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+IsoProp+Na+H"	84.054008
"999645"	151.040576	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2ACN+2H"	84.067652
"1600710"	302.982128	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K+HCOOH"	84.968628
"1425275"	333.013638	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+CF3COOH"	115.000138
"1156657"	171.553851	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+3ACN+2H"	125.094202
"1706210"	350.040185	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+NH4+CF3COOH"	132.026685
"1641861"	354.99558	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na+CF3COOH"	136.98208
"1585171"	370.96952	"C15237"	"8-Hydroxy-2-chlorodibenzofuran;8-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K+CF3COOH"	152.95602
"812254"	285.9355	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M"	0
"982508"	266.91711	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-H2O-H"	-19.01839
"74034"	189.616390666667	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M-3H"	-3.021828
"515783"	284.928224	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M-3H"	-3.021828
"890304"	94.3045573333333	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-3H"	-3.021828
"7785"	284.928224	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M-2H"	-2.014552
"448438"	427.895974	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M-2H"	-2.014552
"820770"	141.960474	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-2H"	-2.014552
"82949"	570.863724	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M-H"	-1.007276
"522875"	856.799224	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M-H"	-1.007276
"904685"	284.928224	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-H"	-1.007276
"57602"	587.890271	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M-2H+NH4"	16.019271
"500325"	873.825771	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M-2H+NH4"	16.019271
"875695"	301.954771	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-2H+NH4"	16.019271
"43596"	592.845666	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M-2H+Na"	20.974666
"482793"	878.781166	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M-2H+Na"	20.974666
"861688"	306.910166	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-2H+Na"	20.974666
"1633656"	306.910166	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Na-2H"	20.974666
"109092"	302.916563	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M-H+Cl"	33.962126
"539661"	445.884313	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M-H+Cl"	33.962126
"933178"	159.948813	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-H+Cl"	33.962126
"278296"	606.840402	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+Cl"	34.969402
"668528"	892.775902	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+Cl"	34.969402
"1277648"	320.904902	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Cl"	34.969402
"18027"	608.819606	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M-2H+K"	36.948606
"460868"	894.755106	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M-2H+K"	36.948606
"841950"	322.884106	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-2H+K"	36.948606
"1557784"	322.884106	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+K-2H"	36.948606
"950042"	330.933694	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-H+HCOOH"	44.998194
"362787"	616.869201	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+HCOOH-H"	44.998201
"346669"	630.884851	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+Hac-H"	59.013851
"1492964"	344.949351	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Hac-H"	59.013851
"961219"	352.915651	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-H+NaCOOH"	66.980151
"110979"	320.904902	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+2Cl"	69.938804
"551876"	463.872652	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+2Cl"	69.938804
"1023589"	177.937152	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2Cl"	69.938804
"1243533"	364.854385	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Br"	78.918885
"1306832"	366.910372	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Cl+HCOOH"	80.974872
"1327494"	388.892329	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Cl+NaCOOH"	102.956829
"915271"	398.921086	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M-H+CF3COOH"	112.985586
"1294167"	434.897764	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Cl+CF3COOH"	148.962264
"1381443"	250.922824	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H-2H2O"	-35.012676
"1389829"	268.9328	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H-H2O"	-17.0027
"293889"	572.878276	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+H"	1.007276
"678657"	858.813776	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+H"	1.007276
"1353913"	286.942776	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H"	1.007276
"130082"	286.942776	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+2H"	2.014552
"567452"	429.910526	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+2H"	2.014552
"1038802"	143.975026	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2H"	2.014552
"207065"	191.630942666667	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+3H"	3.021828
"646625"	286.942776	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+3H"	3.021828
"1165478"	96.3191093333333	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+3H"	3.021828
"425346"	589.904823	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+NH4"	18.033823
"787198"	875.840323	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+NH4"	18.033823
"1690095"	303.969323	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+NH4"	18.033823
"342755"	295.4560495	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+H+NH4"	19.041099
"729708"	438.4237995	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+H+NH4"	19.041099
"1484623"	152.4882995	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H+NH4"	19.041099
"406952"	594.860218	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+Na"	22.989218
"759925"	880.795718	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+Na"	22.989218
"1612398"	308.924718	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Na"	22.989218
"324623"	297.933747	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+H+Na"	23.996494
"710484"	440.901497	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+H+Na"	23.996494
"1465399"	154.965997	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H+Na"	23.996494
"1056455"	103.646423333333	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2H+Na"	25.00377
"1262506"	318.968986	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+CH3OH+H"	33.033486
"382173"	610.834158	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+K"	38.963158
"746447"	896.769658	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+K"	38.963158
"1543034"	324.898658	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+K"	38.963158
"298995"	305.920717	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+H+K"	39.970434
"700293"	448.888467	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+H+K"	39.970434
"1446335"	162.952967	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H+K"	39.970434
"240529"	613.904826	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+ACN+H"	42.033826
"1217614"	327.969326	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+ACN+H"	42.033826
"1200403"	164.488301	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+ACN+2H"	43.041102
"193275"	616.84216	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+2Na-H"	44.97116
"639396"	902.77766	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+2Na-H"	44.97116
"1139621"	330.90666	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2Na-H"	44.97116
"178539"	308.924718	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+2Na"	45.978436
"624296"	451.892468	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+2Na"	45.978436
"1124885"	165.956968	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2Na"	45.978436
"1404034"	110.973737333333	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H+2Na"	46.985712
"1444170"	332.948246	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H+HCOOH"	47.012746
"229129"	313.95774	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+3H2O+2H"	56.04448
"1518286"	347.00029	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+IsoProp+H"	61.06479
"416877"	316.911688	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+Na+K"	61.952376
"774591"	459.879438	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+Na+K"	61.952376
"1679307"	173.943938	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Na+K"	61.952376
"256350"	635.886768	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+ACN+Na"	64.015768
"1233436"	349.951268	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+ACN+Na"	64.015768
"1717946"	349.974793	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+NH4+HCOOH"	64.039293
"1179654"	118.301051333333	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+3Na"	68.967654
"1652099"	354.930188	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Na+HCOOH"	68.994688
"158964"	648.79004	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+2K-H"	76.91904
"598036"	934.72554	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+2K-H"	76.91904
"1084691"	362.85454	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2K-H"	76.91904
"141677"	324.898658	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"2M+2K"	77.926316
"589992"	467.866408	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"3M+2K"	77.926316
"1070859"	181.930908	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2K"	77.926316
"1109902"	364.869092	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2K+H"	78.933592
"1340089"	364.956707	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+DMSO+H"	79.021207
"1013723"	368.995876	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2ACN+H"	83.060376
"1533308"	369.989508	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+IsoProp+Na+H"	84.054008
"1004497"	185.001576	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+2ACN+2H"	84.067652
"1599727"	370.904128	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+K+HCOOH"	84.968628
"1425385"	400.935638	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+H+CF3COOH"	115.000138
"1155673"	205.514851	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+3ACN+2H"	125.094202
"1708507"	417.962185	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+NH4+CF3COOH"	132.026685
"1643066"	422.91758	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+Na+CF3COOH"	136.98208
"1585281"	438.89152	"C15238"	"8-Hydroxy-346-trichlorodibenzofuran;467-Trichloro-2-dibenzofuranol"	"C12H5Cl3O2"	"285.9355"	"M+K+CF3COOH"	152.95602
"812365"	251.9745	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M"	0
"988818"	232.95611	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H2O-H"	-19.01839
"73051"	166.975724	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-3H"	-3.021828
"517231"	250.967224	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-3H"	-3.021828
"893694"	82.984224	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-3H"	-3.021828
"14091"	250.967224	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H"	-2.014552
"446361"	376.954474	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H"	-2.014552
"824161"	124.979974	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H"	-2.014552
"86339"	502.941724	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H"	-1.007276
"528088"	754.916224	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H"	-1.007276
"904795"	250.967224	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H"	-1.007276
"60993"	519.968271	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+NH4"	16.019271
"499462"	771.942771	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+NH4"	16.019271
"875442"	267.993771	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+NH4"	16.019271
"42250"	524.923666	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+Na"	20.974666
"485090"	776.898166	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+Na"	20.974666
"863627"	272.949166	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+Na"	20.974666
"1633041"	272.949166	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na-2H"	20.974666
"109447"	268.955563	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H+Cl"	33.962126
"538680"	394.942813	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H+Cl"	33.962126
"934381"	142.968313	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+Cl"	33.962126
"280229"	538.918402	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Cl"	34.969402
"666452"	790.892902	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Cl"	34.969402
"1277758"	286.943902	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl"	34.969402
"20324"	540.897606	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+K"	36.948606
"460978"	792.872106	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+K"	36.948606
"842060"	288.923106	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+K"	36.948606
"1556436"	288.923106	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K-2H"	36.948606
"943102"	296.972694	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+HCOOH"	44.998194
"368368"	548.947201	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+HCOOH-H"	44.998201
"345822"	562.962851	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Hac-H"	59.013851
"1498897"	310.988351	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Hac-H"	59.013851
"959263"	318.954651	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+NaCOOH"	66.980151
"110361"	286.943902	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Cl"	69.938804
"554906"	412.931152	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Cl"	69.938804
"1022971"	160.956652	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Cl"	69.938804
"1242914"	330.893385	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Br"	78.918885
"1306097"	332.949372	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+HCOOH"	80.974872
"1327604"	354.931329	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+NaCOOH"	102.956829
"914652"	364.960086	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+CF3COOH"	112.985586
"1292086"	400.936764	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+CF3COOH"	148.962264
"1380095"	216.961824	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-2H2O"	-35.012676
"1393220"	234.9718	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-H2O"	-17.0027
"296187"	504.956276	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H"	1.007276
"678767"	756.930776	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H"	1.007276
"1358398"	252.981776	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H"	1.007276
"130192"	252.981776	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2H"	2.014552
"567196"	378.969026	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2H"	2.014552
"1038911"	126.994526	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H"	2.014552
"207175"	168.990276	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H"	3.021828
"646371"	252.981776	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+3H"	3.021828
"1163522"	84.998776	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3H"	3.021828
"425216"	521.982823	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+NH4"	18.033823
"787674"	773.957323	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+NH4"	18.033823
"1686926"	270.008323	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4"	18.033823
"340678"	261.4950495	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+NH4"	19.041099
"729818"	387.4822995	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+NH4"	19.041099
"1490569"	135.5077995	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+NH4"	19.041099
"406702"	526.938218	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na"	22.989218
"763317"	778.912718	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na"	22.989218
"1607042"	274.963718	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na"	22.989218
"326556"	263.972747	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+Na"	23.996494
"711688"	389.959997	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+Na"	23.996494
"1465510"	137.985497	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+Na"	23.996494
"1058754"	92.32609	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H+Na"	25.00377
"1260430"	285.007986	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+CH3OH+H"	33.033486
"381190"	542.912158	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+K"	38.963158
"742186"	794.886658	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+K"	38.963158
"1544238"	290.937658	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K"	38.963158
"299713"	271.959717	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+K"	39.970434
"700403"	397.946967	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+K"	39.970434
"1446566"	145.972467	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+K"	39.970434
"239546"	545.982826	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+H"	42.033826
"1217724"	294.008326	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+H"	42.033826
"1199420"	147.507801	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+2H"	43.041102
"192292"	548.92016	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na-H"	44.97116
"639506"	800.89466	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na-H"	44.97116
"1139731"	296.94566	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na-H"	44.97116
"181928"	274.963718	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na"	45.978436
"619300"	400.950968	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na"	45.978436
"1122806"	148.976468	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na"	45.978436
"1406331"	99.653404	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+2Na"	46.985712
"1441728"	298.987246	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+HCOOH"	47.012746
"229238"	279.99674	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H2O+2H"	56.04448
"1518396"	313.03929	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+H"	61.06479
"419175"	282.950688	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na+K"	61.952376
"776889"	408.937938	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na+K"	61.952376
"1677959"	156.963438	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+K"	61.952376
"261564"	567.964768	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+Na"	64.015768
"1231358"	315.990268	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+Na"	64.015768
"1716962"	316.013793	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+HCOOH"	64.039293
"1189607"	106.980718	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3Na"	68.967654
"1652940"	320.969188	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+HCOOH"	68.994688
"160897"	580.86804	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K-H"	76.91904
"598758"	832.84254	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K-H"	76.91904
"1084526"	328.89354	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K-H"	76.91904
"147989"	290.937658	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K"	77.926316
"593384"	416.924908	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K"	77.926316
"1081542"	164.950408	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K"	77.926316
"1112929"	330.908092	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K+H"	78.933592
"1346396"	330.995707	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+DMSO+H"	79.021207
"1013833"	335.034876	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+H"	83.060376
"1533418"	336.028508	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+Na+H"	84.054008
"1003150"	168.021076	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+2H"	84.067652
"1598746"	336.943128	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+HCOOH"	84.968628
"1423311"	366.974638	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+CF3COOH"	115.000138
"1160160"	188.534351	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3ACN+2H"	125.094202
"1711902"	384.001185	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+CF3COOH"	132.026685
"1643176"	388.95658	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+CF3COOH"	136.98208
"1585391"	404.93052	"C15239"	"8-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-2-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+CF3COOH"	152.95602
"805914"	251.9745	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M"	0
"982729"	232.95611	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H2O-H"	-19.01839
"73161"	166.975724	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-3H"	-3.021828
"509440"	250.967224	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-3H"	-3.021828
"893804"	82.984224	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-3H"	-3.021828
"8005"	250.967224	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H"	-2.014552
"446471"	376.954474	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H"	-2.014552
"818074"	124.979974	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H"	-2.014552
"80982"	502.941724	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H"	-1.007276
"522730"	754.916224	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H"	-1.007276
"900532"	250.967224	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H"	-1.007276
"55999"	519.968271	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+NH4"	16.019271
"495562"	771.942771	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+NH4"	16.019271
"873364"	267.993771	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+NH4"	16.019271
"41266"	524.923666	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+Na"	20.974666
"481918"	776.898166	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+Na"	20.974666
"859722"	272.949166	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+Na"	20.974666
"1631077"	272.949166	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na-2H"	20.974666
"106876"	268.955563	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H+Cl"	33.962126
"540976"	394.942813	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H+Cl"	33.962126
"938865"	142.968313	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+Cl"	33.962126
"282287"	538.918402	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Cl"	34.969402
"667655"	790.892902	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Cl"	34.969402
"1280056"	286.943902	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl"	34.969402
"20434"	540.897606	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+K"	36.948606
"464368"	792.872106	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+K"	36.948606
"842170"	288.923106	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+K"	36.948606
"1559098"	288.923106	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K-2H"	36.948606
"943822"	296.972694	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+HCOOH"	44.998194
"367385"	548.947201	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+HCOOH-H"	44.998201
"350172"	562.962851	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Hac-H"	59.013851
"1499007"	310.988351	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Hac-H"	59.013851
"962173"	318.954651	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+NaCOOH"	66.980151
"117642"	286.943902	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Cl"	69.938804
"555016"	412.931152	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Cl"	69.938804
"1022720"	160.956652	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Cl"	69.938804
"1242660"	330.893385	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Br"	78.918885
"1308030"	332.949372	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+HCOOH"	80.974872
"1330994"	354.931329	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+NaCOOH"	102.956829
"919865"	364.960086	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+CF3COOH"	112.985586
"1291470"	400.936764	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+CF3COOH"	148.962264
"1381302"	216.961824	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-2H2O"	-35.012676
"1395517"	234.9718	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-H2O"	-17.0027
"294111"	504.956276	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H"	1.007276
"677784"	756.930776	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H"	1.007276
"1353041"	252.981776	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H"	1.007276
"130303"	252.981776	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2H"	2.014552
"569130"	378.969026	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2H"	2.014552
"1039385"	126.994526	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H"	2.014552
"208741"	168.990276	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H"	3.021828
"645386"	252.981776	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+3H"	3.021828
"1162899"	84.998776	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3H"	3.021828
"424274"	521.982823	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+NH4"	18.033823
"785958"	773.957323	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+NH4"	18.033823
"1687400"	270.008323	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4"	18.033823
"342975"	261.4950495	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+NH4"	19.041099
"732116"	387.4822995	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+NH4"	19.041099
"1492420"	135.5077995	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+NH4"	19.041099
"406807"	526.938218	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na"	22.989218
"762333"	778.912718	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na"	22.989218
"1609339"	274.963718	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na"	22.989218
"327030"	263.972747	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+Na"	23.996494
"711798"	389.959997	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+Na"	23.996494
"1466713"	137.985497	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+Na"	23.996494
"1059957"	92.32609	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H+Na"	25.00377
"1264915"	285.007986	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+CH3OH+H"	33.033486
"379480"	542.912158	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+K"	38.963158
"743389"	794.886658	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+K"	38.963158
"1543258"	290.937658	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K"	38.963158
"301160"	271.959717	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+K"	39.970434
"698328"	397.946967	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+K"	39.970434
"1446679"	145.972467	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+K"	39.970434
"239656"	545.982826	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+H"	42.033826
"1216011"	294.008326	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+H"	42.033826
"1203904"	147.507801	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+2H"	43.041102
"197870"	548.92016	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na-H"	44.97116
"639618"	800.89466	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na-H"	44.97116
"1134736"	296.94566	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na-H"	44.97116
"182038"	274.963718	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na"	45.978436
"616854"	400.950968	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na"	45.978436
"1119635"	148.976468	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na"	45.978436
"1406441"	99.653404	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+2Na"	46.985712
"1441838"	298.987246	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+HCOOH"	47.012746
"235181"	279.99674	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H2O+2H"	56.04448
"1520692"	313.03929	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+H"	61.06479
"422809"	282.950688	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na+K"	61.952376
"779187"	408.937938	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na+K"	61.952376
"1676611"	156.963438	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+K"	61.952376
"258758"	567.964768	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+Na"	64.015768
"1232563"	315.990268	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+Na"	64.015768
"1718164"	316.013793	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+HCOOH"	64.039293
"1191174"	106.980718	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3Na"	68.967654
"1655603"	320.969188	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+HCOOH"	68.994688
"167933"	580.86804	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K-H"	76.91904
"606036"	832.84254	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K-H"	76.91904
"1086662"	328.89354	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K-H"	76.91904
"150286"	290.937658	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K"	77.926316
"593494"	416.924908	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K"	77.926316
"1081289"	164.950408	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K"	77.926316
"1113040"	330.908092	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K+H"	78.933592
"1346142"	330.995707	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+DMSO+H"	79.021207
"1014307"	335.034876	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+H"	83.060376
"1526965"	336.028508	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+Na+H"	84.054008
"1002165"	168.021076	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+2H"	84.067652
"1596670"	336.943128	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+HCOOH"	84.968628
"1425608"	366.974638	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+CF3COOH"	115.000138
"1159177"	188.534351	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3ACN+2H"	125.094202
"1711281"	384.001185	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+CF3COOH"	132.026685
"1643286"	388.95658	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+CF3COOH"	136.98208
"1585501"	404.93052	"C15240"	"6-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-4-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+CF3COOH"	152.95602
"814048"	218.0135	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M"	0
"986852"	198.99511	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H2O-H"	-19.01839
"73271"	144.335057333333	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-3H"	-3.021828
"509550"	217.006224	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-3H"	-3.021828
"890634"	71.6638906666667	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-3H"	-3.021828
"4835"	217.006224	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H"	-2.014552
"447674"	326.012974	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H"	-2.014552
"821100"	107.999474	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H"	-2.014552
"81092"	435.019724	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-H"	-1.007276
"522840"	653.033224	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-H"	-1.007276
"898455"	217.006224	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H"	-1.007276
"59389"	452.046271	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H+NH4"	16.019271
"495672"	670.059771	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H+NH4"	16.019271
"873474"	234.032771	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H+NH4"	16.019271
"42469"	457.001666	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H+Na"	20.974666
"479841"	675.015166	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H+Na"	20.974666
"859832"	238.988166	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H+Na"	20.974666
"1630458"	238.988166	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na-2H"	20.974666
"105893"	234.994563	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-H+Cl"	33.962126
"541086"	344.001313	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-H+Cl"	33.962126
"937882"	125.987813	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+Cl"	33.962126
"280937"	470.996402	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Cl"	34.969402
"667765"	689.009902	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+Cl"	34.969402
"1277980"	252.982902	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl"	34.969402
"16534"	472.975606	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M-2H+K"	36.948606
"462290"	690.989106	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M-2H+K"	36.948606
"839000"	254.962106	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-2H+K"	36.948606
"1556656"	254.962106	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K-2H"	36.948606
"943811"	263.011694	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+HCOOH"	44.998194
"368588"	481.025201	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+HCOOH-H"	44.998201
"350282"	495.040851	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Hac-H"	59.013851
"1499117"	277.027351	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Hac-H"	59.013851
"962283"	284.993651	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+NaCOOH"	66.980151
"117752"	252.982902	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2Cl"	69.938804
"555126"	361.989652	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2Cl"	69.938804
"1022466"	143.976152	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2Cl"	69.938804
"1244229"	296.932385	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Br"	78.918885
"1314701"	298.988372	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl+HCOOH"	80.974872
"1334023"	320.970329	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl+NaCOOH"	102.956829
"919975"	330.999086	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M-H+CF3COOH"	112.985586
"1291580"	366.975764	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Cl+CF3COOH"	148.962264
"1380321"	183.000824	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H-2H2O"	-35.012676
"1394172"	201.0108	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H-H2O"	-17.0027
"289848"	437.034276	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H"	1.007276
"682269"	655.047776	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H"	1.007276
"1352784"	219.020776	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H"	1.007276
"129319"	219.020776	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2H"	2.014552
"569240"	328.027526	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2H"	2.014552
"1039495"	110.014026	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2H"	2.014552
"207396"	146.349609333333	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+3H"	3.021828
"645860"	219.020776	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+3H"	3.021828
"1163046"	73.6784426666667	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+3H"	3.021828
"424567"	454.060823	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+NH4"	18.033823
"786797"	672.074323	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+NH4"	18.033823
"1687874"	236.047323	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+NH4"	18.033823
"345395"	227.5340495	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H+NH4"	19.041099
"735506"	336.5407995	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H+NH4"	19.041099
"1484954"	118.5272995	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+NH4"	19.041099
"399259"	459.016218	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Na"	22.989218
"756976"	677.029718	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+Na"	22.989218
"1609449"	241.002718	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na"	22.989218
"323860"	230.011747	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H+Na"	23.996494
"713001"	339.018497	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H+Na"	23.996494
"1466823"	121.004997	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+Na"	23.996494
"1061160"	81.0057566666667	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2H+Na"	25.00377
"1265025"	251.046986	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+CH3OH+H"	33.033486
"380319"	474.990158	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+K"	38.963158
"746782"	693.003658	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+K"	38.963158
"1545555"	256.976658	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K"	38.963158
"303824"	237.998717	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+H+K"	39.970434
"697345"	347.005467	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+H+K"	39.970434
"1448976"	128.991967	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+K"	39.970434
"239767"	478.060826	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+ACN+H"	42.033826
"1216850"	260.047326	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+ACN+H"	42.033826
"1204014"	130.527301	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+ACN+2H"	43.041102
"200166"	480.99816	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2Na-H"	44.97116
"640821"	699.01166	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2Na-H"	44.97116
"1139951"	262.98466	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2Na-H"	44.97116
"184336"	241.002718	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2Na"	45.978436
"617698"	350.009468	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2Na"	45.978436
"1119747"	131.995968	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2Na"	45.978436
"1409832"	88.3330706666667	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+2Na"	46.985712
"1438667"	265.026246	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+HCOOH"	47.012746
"235579"	246.03574	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+3H2O+2H"	56.04448
"1521532"	279.07829	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+IsoProp+H"	61.06479
"422675"	248.989688	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+Na+K"	61.952376
"778203"	357.996438	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+Na+K"	61.952376
"1675628"	139.982938	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na+K"	61.952376
"261057"	500.042768	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+ACN+Na"	64.015768
"1233767"	282.029268	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+ACN+Na"	64.015768
"1719370"	282.052793	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+NH4+HCOOH"	64.039293
"1186911"	95.6603846666667	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+3Na"	68.967654
"1656807"	287.008188	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na+HCOOH"	68.994688
"164763"	512.94604	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2K-H"	76.91904
"605417"	730.95954	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2K-H"	76.91904
"1086651"	294.93254	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2K-H"	76.91904
"148938"	256.976658	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"2M+2K"	77.926316
"593604"	365.983408	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"3M+2K"	77.926316
"1081764"	147.969908	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2K"	77.926316
"1113150"	296.947092	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2K+H"	78.933592
"1347712"	297.034707	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+DMSO+H"	79.021207
"1017697"	301.073876	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2ACN+H"	83.060376
"1528168"	302.067508	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+IsoProp+Na+H"	84.054008
"1003367"	151.040576	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+2ACN+2H"	84.067652
"1597870"	302.982128	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K+HCOOH"	84.968628
"1426811"	333.013638	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+H+CF3COOH"	115.000138
"1158194"	171.553851	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+3ACN+2H"	125.094202
"1706653"	350.040185	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+NH4+CF3COOH"	132.026685
"1643396"	354.99558	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+Na+CF3COOH"	136.98208
"1585611"	370.96952	"C15241"	"8-Hydroxy-3-chlorodibenzofuran;7-Chloro-2-dibenzofuranol"	"C12H7ClO2"	"218.0135"	"M+K+CF3COOH"	152.95602
"816595"	234.0084	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M"	0
"989153"	214.99001	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-H2O-H"	-19.01839
"77517"	154.998324	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M-3H"	-3.021828
"518172"	233.001124	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M-3H"	-3.021828
"895121"	76.995524	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-3H"	-3.021828
"11508"	233.001124	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M-2H"	-2.014552
"451067"	350.005324	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M-2H"	-2.014552
"831948"	115.996924	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-2H"	-2.014552
"93847"	467.009524	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M-H"	-1.007276
"532796"	701.017924	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M-H"	-1.007276
"910356"	233.001124	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-H"	-1.007276
"60600"	484.036071	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M-2H+NH4"	16.019271
"495787"	718.044471	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M-2H+NH4"	16.019271
"877601"	250.027671	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-2H+NH4"	16.019271
"45137"	488.991466	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M-2H+Na"	20.974666
"484333"	722.999866	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M-2H+Na"	20.974666
"861040"	254.983066	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-2H+Na"	20.974666
"1630450"	254.983066	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Na-2H"	20.974666
"99450"	250.989463	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M-H+Cl"	33.962126
"535364"	367.993663	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M-H+Cl"	33.962126
"928878"	133.985263	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-H+Cl"	33.962126
"268168"	502.986202	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+Cl"	34.969402
"663507"	736.994602	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+Cl"	34.969402
"1274448"	268.977802	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Cl"	34.969402
"30505"	504.965406	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M-2H+K"	36.948606
"470794"	738.973806	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M-2H+K"	36.948606
"841302"	270.957006	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-2H+K"	36.948606
"1569529"	270.957006	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+K-2H"	36.948606
"952673"	279.006594	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-H+HCOOH"	44.998194
"364326"	513.015001	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+HCOOH-H"	44.998201
"350396"	527.030651	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+Hac-H"	59.013851
"1500323"	293.022251	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Hac-H"	59.013851
"964583"	300.988551	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-H+NaCOOH"	66.980151
"124309"	268.977802	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+2Cl"	69.938804
"558520"	385.982002	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+2Cl"	69.938804
"1029507"	151.973602	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2Cl"	69.938804
"1253461"	312.927285	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Br"	78.918885
"1314815"	314.983272	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Cl+HCOOH"	80.974872
"1331220"	336.965229	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Cl+NaCOOH"	102.956829
"926291"	346.993986	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M-H+CF3COOH"	112.985586
"1303001"	382.970664	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Cl+CF3COOH"	148.962264
"1373870"	198.995724	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H-2H2O"	-35.012676
"1386991"	217.0057	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H-H2O"	-17.0027
"288864"	469.024076	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+H"	1.007276
"679099"	703.032476	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+H"	1.007276
"1353260"	235.015676	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H"	1.007276
"126879"	235.015676	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+2H"	2.014552
"573364"	352.019876	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+2H"	2.014552
"1039976"	118.011476	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2H"	2.014552
"211158"	157.012876	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+3H"	3.021828
"649988"	235.015676	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+3H"	3.021828
"1167748"	79.010076	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+3H"	3.021828
"438202"	486.050623	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+NH4"	18.033823
"801223"	720.059023	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+NH4"	18.033823
"1692730"	252.042223	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+NH4"	18.033823
"336635"	243.5289495	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+H+NH4"	19.041099
"736354"	360.5331495	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+H+NH4"	19.041099
"1491752"	126.5247495	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H+NH4"	19.041099
"406669"	491.006018	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+Na"	22.989218
"769000"	725.014418	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+Na"	22.989218
"1616858"	256.997618	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Na"	22.989218
"327260"	246.006647	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+H+Na"	23.996494
"721986"	363.010847	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+H+Na"	23.996494
"1472767"	129.002447	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H+Na"	23.996494
"1062365"	86.33739	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2H+Na"	25.00377
"1264043"	267.041886	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+CH3OH+H"	33.033486
"383712"	506.979958	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+K"	38.963158
"741792"	740.988358	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+K"	38.963158
"1541657"	272.971558	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+K"	38.963158
"303939"	253.993617	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+H+K"	39.970434
"700736"	370.997817	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+H+K"	39.970434
"1455652"	136.989417	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H+K"	39.970434
"247900"	510.050626	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+ACN+H"	42.033826
"1216963"	276.042226	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+ACN+H"	42.033826
"1205220"	138.524751	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+ACN+2H"	43.041102
"200278"	512.98796	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+2Na-H"	44.97116
"638746"	746.99636	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+2Na-H"	44.97116
"1141157"	278.97956	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2Na-H"	44.97116
"183355"	256.997618	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+2Na"	45.978436
"625101"	374.001818	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+2Na"	45.978436
"1127513"	139.993418	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2Na"	45.978436
"1407758"	93.664704	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H+2Na"	46.985712
"1436595"	281.021146	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H+HCOOH"	47.012746
"227017"	262.03064	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+3H2O+2H"	56.04448
"1515448"	295.07319	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+IsoProp+H"	61.06479
"416227"	264.984588	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+Na+K"	61.952376
"775035"	381.988788	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+Na+K"	61.952376
"1669541"	147.980388	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Na+K"	61.952376
"256788"	532.032568	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+ACN+Na"	64.015768
"1232049"	298.024168	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+ACN+Na"	64.015768
"1717655"	298.047693	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+NH4+HCOOH"	64.039293
"1183014"	100.992018	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+3Na"	68.967654
"1651084"	303.003088	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Na+HCOOH"	68.994688
"168158"	544.93584	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+2K-H"	76.91904
"611367"	778.94424	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+2K-H"	76.91904
"1099904"	310.92744	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2K-H"	76.91904
"155616"	272.971558	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"2M+2K"	77.926316
"595660"	389.975758	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"3M+2K"	77.926316
"1084111"	155.967358	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2K"	77.926316
"1115579"	312.941992	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2K+H"	78.933592
"1350377"	313.029607	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+DMSO+H"	79.021207
"1019999"	317.068776	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2ACN+H"	83.060376
"1537760"	318.062408	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+IsoProp+Na+H"	84.054008
"1004208"	159.038026	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+2ACN+2H"	84.067652
"1600896"	318.977028	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+K+HCOOH"	84.968628
"1426922"	349.008538	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+H+CF3COOH"	115.000138
"1161220"	179.551301	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+3ACN+2H"	125.094202
"1711745"	366.035085	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+NH4+CF3COOH"	132.026685
"1644599"	370.99048	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+Na+CF3COOH"	136.98208
"1585721"	386.96442	"C15242"	"8-Chloro-27-dibenzofurandiol;38-Dihydroxy-2-chlorodibenzofuran"	"C12H7ClO3"	"234.0084"	"M+K+CF3COOH"	152.95602
"803328"	251.9745	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M"	0
"988167"	232.95611	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H2O-H"	-19.01839
"75677"	166.975724	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-3H"	-3.021828
"509770"	250.967224	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-3H"	-3.021828
"894141"	82.984224	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-3H"	-3.021828
"13443"	250.967224	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H"	-2.014552
"454338"	376.954474	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H"	-2.014552
"830071"	124.979974	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H"	-2.014552
"86782"	502.941724	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H"	-1.007276
"532787"	754.916224	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H"	-1.007276
"910104"	250.967224	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H"	-1.007276
"60709"	519.968271	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+NH4"	16.019271
"496990"	771.942771	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+NH4"	16.019271
"874792"	267.993771	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+NH4"	16.019271
"42692"	524.923666	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+Na"	20.974666
"485418"	776.898166	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+Na"	20.974666
"861515"	272.949166	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+Na"	20.974666
"1630681"	272.949166	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na-2H"	20.974666
"98467"	268.955563	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H+Cl"	33.962126
"536931"	394.942813	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H+Cl"	33.962126
"928623"	142.968313	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+Cl"	33.962126
"279940"	538.918402	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Cl"	34.969402
"663617"	790.892902	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Cl"	34.969402
"1274075"	286.943902	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl"	34.969402
"27328"	540.897606	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+K"	36.948606
"470782"	792.872106	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+K"	36.948606
"846880"	288.923106	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+K"	36.948606
"1567087"	288.923106	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K-2H"	36.948606
"947315"	296.972694	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+HCOOH"	44.998194
"364801"	548.947201	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+HCOOH-H"	44.998201
"349413"	562.962851	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Hac-H"	59.013851
"1504807"	310.988351	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Hac-H"	59.013851
"965788"	318.954651	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+NaCOOH"	66.980151
"124175"	286.943902	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Cl"	69.938804
"558630"	412.931152	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Cl"	69.938804
"1030710"	160.956652	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Cl"	69.938804
"1253207"	330.893385	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Br"	78.918885
"1316019"	332.949372	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+HCOOH"	80.974872
"1333883"	354.931329	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+NaCOOH"	102.956829
"925306"	364.960086	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+CF3COOH"	112.985586
"1303845"	400.936764	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+CF3COOH"	148.962264
"1375073"	216.961824	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-2H2O"	-35.012676
"1394755"	234.9718	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-H2O"	-17.0027
"292255"	504.956276	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H"	1.007276
"679210"	756.930776	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H"	1.007276
"1354464"	252.981776	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H"	1.007276
"129905"	252.981776	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2H"	2.014552
"573474"	378.969026	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2H"	2.014552
"1043001"	126.994526	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H"	2.014552
"211996"	168.990276	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H"	3.021828
"650462"	252.981776	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+3H"	3.021828
"1166765"	84.998776	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3H"	3.021828
"439045"	521.982823	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+NH4"	18.033823
"799916"	773.957323	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+NH4"	18.033823
"1694664"	270.008323	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4"	18.033823
"341115"	261.4950495	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+NH4"	19.041099
"732451"	387.4822995	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+NH4"	19.041099
"1488823"	135.5077995	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+NH4"	19.041099
"406295"	526.938218	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na"	22.989218
"764855"	778.912718	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na"	22.989218
"1616242"	274.963718	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na"	22.989218
"326278"	263.972747	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+Na"	23.996494
"720516"	389.959997	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+Na"	23.996494
"1472877"	137.985497	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+Na"	23.996494
"1060288"	92.32609	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H+Na"	25.00377
"1263060"	285.007986	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+CH3OH+H"	33.033486
"383821"	542.912158	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+K"	38.963158
"741538"	794.886658	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+K"	38.963158
"1540310"	290.937658	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K"	38.963158
"300767"	271.959717	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+K"	39.970434
"697566"	397.946967	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+K"	39.970434
"1451389"	145.972467	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+K"	39.970434
"245094"	545.982826	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+H"	42.033826
"1218166"	294.008326	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+H"	42.033826
"1205330"	147.507801	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+2H"	43.041102
"194920"	548.92016	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na-H"	44.97116
"639950"	800.89466	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na-H"	44.97116
"1141268"	296.94566	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na-H"	44.97116
"184558"	274.963718	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na"	45.978436
"623024"	400.950968	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na"	45.978436
"1126529"	148.976468	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na"	45.978436
"1410055"	99.653404	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+2Na"	46.985712
"1436705"	298.987246	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+HCOOH"	47.012746
"228586"	279.99674	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H2O+2H"	56.04448
"1515558"	313.03929	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+H"	61.06479
"415243"	282.950688	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na+K"	61.952376
"775509"	408.937938	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na+K"	61.952376
"1669650"	156.963438	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+K"	61.952376
"255804"	567.964768	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+Na"	64.015768
"1231795"	315.990268	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+Na"	64.015768
"1713146"	316.013793	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+HCOOH"	64.039293
"1180571"	106.980718	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3Na"	68.967654
"1651194"	320.969188	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+HCOOH"	68.994688
"167175"	580.86804	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K-H"	76.91904
"610749"	832.84254	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K-H"	76.91904
"1099606"	328.89354	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K-H"	76.91904
"157023"	290.937658	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K"	77.926316
"596500"	416.924908	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K"	77.926316
"1083571"	164.950408	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K"	77.926316
"1114593"	330.908092	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K+H"	78.933592
"1350612"	330.995707	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+DMSO+H"	79.021207
"1020837"	335.034876	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+H"	83.060376
"1534952"	336.028508	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+Na+H"	84.054008
"1005290"	168.021076	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+2H"	84.067652
"1598090"	336.943128	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+HCOOH"	84.968628
"1427031"	366.974638	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+CF3COOH"	115.000138
"1161573"	188.534351	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3ACN+2H"	125.094202
"1711735"	384.001185	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+CF3COOH"	132.026685
"1644709"	388.95658	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+CF3COOH"	136.98208
"1585831"	404.93052	"C15243"	"3-Hydroxy-28-dichlorodibenzofuran;28-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+CF3COOH"	152.95602
"803074"	353.8576	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M"	0
"989249"	334.83921	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-H2O-H"	-19.01839
"77612"	234.897790666667	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M-3H"	-3.021828
"516077"	352.850324	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M-3H"	-3.021828
"892061"	116.945257333333	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-3H"	-3.021828
"12824"	352.850324	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M-2H"	-2.014552
"454448"	529.779124	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M-2H"	-2.014552
"832004"	175.921524	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-2H"	-2.014552
"87990"	706.707924	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M-H"	-1.007276
"533015"	1060.565524	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M-H"	-1.007276
"908633"	352.850324	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-H"	-1.007276
"61066"	723.734471	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M-2H+NH4"	16.019271
"496007"	1077.592071	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M-2H+NH4"	16.019271
"874902"	369.876871	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-2H+NH4"	16.019271
"43898"	728.689866	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M-2H+Na"	20.974666
"484188"	1082.547466	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M-2H+Na"	20.974666
"860165"	374.832266	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-2H+Na"	20.974666
"1630791"	374.832266	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Na-2H"	20.974666
"96389"	370.838663	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M-H+Cl"	33.962126
"537045"	547.767463	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M-H+Cl"	33.962126
"931656"	193.909863	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-H+Cl"	33.962126
"272398"	742.684602	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+Cl"	34.969402
"663727"	1096.542202	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+Cl"	34.969402
"1274306"	388.827002	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Cl"	34.969402
"29993"	744.663806	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M-2H+K"	36.948606
"469554"	1098.521406	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M-2H+K"	36.948606
"846627"	390.806206	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-2H+K"	36.948606
"1567198"	390.806206	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+K-2H"	36.948606
"950708"	398.855794	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-H+HCOOH"	44.998194
"364547"	752.713401	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+HCOOH-H"	44.998201
"351710"	766.729051	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+Hac-H"	59.013851
"1502732"	412.871451	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Hac-H"	59.013851
"967722"	420.837751	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-H+NaCOOH"	66.980151
"122463"	388.827002	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+2Cl"	69.938804
"555460"	565.755802	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+2Cl"	69.938804
"1030821"	211.898202	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2Cl"	69.938804
"1255505"	432.776485	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Br"	78.918885
"1317591"	434.832472	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Cl+HCOOH"	80.974872
"1334485"	456.814429	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Cl+NaCOOH"	102.956829
"926145"	466.843186	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M-H+CF3COOH"	112.985586
"1303585"	502.819864	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Cl+CF3COOH"	148.962264
"1377369"	318.844924	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H-2H2O"	-35.012676
"1391584"	336.8549	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H-H2O"	-17.0027
"285804"	708.722476	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+H"	1.007276
"681506"	1062.580076	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+H"	1.007276
"1361135"	354.864876	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H"	1.007276
"131838"	354.864876	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+2H"	2.014552
"568845"	531.793676	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+2H"	2.014552
"1046758"	177.936076	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2H"	2.014552
"211378"	236.912342666667	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+3H"	3.021828
"647656"	354.864876	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+3H"	3.021828
"1167969"	118.959809333333	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+3H"	3.021828
"439035"	725.749023	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+NH4"	18.033823
"800268"	1079.606623	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+NH4"	18.033823
"1695502"	371.891423	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+NH4"	18.033823
"343782"	363.3781495	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+H+NH4"	19.041099
"736938"	540.3069495	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+H+NH4"	19.041099
"1489663"	186.4493495	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H+NH4"	19.041099
"407622"	730.704418	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+Na"	22.989218
"769345"	1084.562018	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+Na"	22.989218
"1616595"	376.846818	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Na"	22.989218
"328577"	365.855847	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+H+Na"	23.996494
"720990"	542.784647	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+H+Na"	23.996494
"1470433"	188.927047	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H+Na"	23.996494
"1061492"	126.287123333333	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2H+Na"	25.00377
"1266450"	386.891086	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+CH3OH+H"	33.033486
"380651"	746.678358	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+K"	38.963158
"742742"	1100.535958	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+K"	38.963158
"1542244"	392.820758	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+K"	38.963158
"308536"	373.842817	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+H+K"	39.970434
"706435"	550.771617	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+H+K"	39.970434
"1452594"	196.914017	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H+K"	39.970434
"245568"	749.749026	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+ACN+H"	42.033826
"1223625"	395.891426	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+ACN+H"	42.033826
"1207628"	198.449351	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+ACN+2H"	43.041102
"203420"	752.68636	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+2Na-H"	44.97116
"642736"	1106.54396	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+2Na-H"	44.97116
"1140284"	398.82876	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2Na-H"	44.97116
"185884"	376.846818	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+2Na"	45.978436
"625688"	553.775618	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+2Na"	45.978436
"1128709"	199.918018	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2Na"	45.978436
"1413205"	133.614437333333	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H+2Na"	46.985712
"1437908"	400.870346	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H+HCOOH"	47.012746
"226512"	381.87984	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+3H2O+2H"	56.04448
"1513484"	414.92239	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+IsoProp+H"	61.06479
"413168"	384.833788	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+Na+K"	61.952376
"774528"	561.762588	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+Na+K"	61.952376
"1669032"	207.904988	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Na+K"	61.952376
"252999"	771.730968	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+ACN+Na"	64.015768
"1227531"	417.873368	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+ACN+Na"	64.015768
"1714959"	417.896893	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+NH4+HCOOH"	64.039293
"1180317"	140.941751333333	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+3Na"	68.967654
"1656048"	422.852288	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Na+HCOOH"	68.994688
"170205"	784.63424	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+2K-H"	76.91904
"610860"	1138.49184	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+2K-H"	76.91904
"1098653"	430.77664	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2K-H"	76.91904
"156441"	392.820758	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"2M+2K"	77.926316
"596368"	569.749558	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"3M+2K"	77.926316
"1083439"	215.891958	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2K"	77.926316
"1113118"	432.791192	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2K+H"	78.933592
"1351086"	432.878807	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+DMSO+H"	79.021207
"1019123"	436.917976	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2ACN+H"	83.060376
"1533968"	437.911608	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+IsoProp+Na+H"	84.054008
"1005035"	218.962626	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+2ACN+2H"	84.067652
"1601481"	438.826228	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+K+HCOOH"	84.968628
"1427142"	468.857738	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+H+CF3COOH"	115.000138
"1161564"	239.475901	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+3ACN+2H"	125.094202
"1711843"	485.884285	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+NH4+CF3COOH"	132.026685
"1634978"	490.83968	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+Na+CF3COOH"	136.98208
"1585941"	506.81362	"C15244"	"7-Hydroxy-12368-pentachlorodibenzofuran;24789-Pentachloro-3-dibenzofuranol"	"C12H3Cl5O2"	"353.8576"	"M+K+CF3COOH"	152.95602
"803184"	251.9745	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M"	0
"989238"	232.95611	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H2O-H"	-19.01839
"77807"	166.975724	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-3H"	-3.021828
"518012"	250.967224	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-3H"	-3.021828
"891078"	82.984224	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-3H"	-3.021828
"14514"	250.967224	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H"	-2.014552
"455492"	376.954474	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H"	-2.014552
"832784"	124.979974	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H"	-2.014552
"91380"	502.941724	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H"	-1.007276
"530938"	754.916224	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H"	-1.007276
"910445"	250.967224	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H"	-1.007276
"62514"	519.968271	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+NH4"	16.019271
"501587"	771.942771	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+NH4"	16.019271
"877928"	267.993771	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+NH4"	16.019271
"46439"	524.923666	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+Na"	20.974666
"486488"	776.898166	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+Na"	20.974666
"860275"	272.949166	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+Na"	20.974666
"1630901"	272.949166	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na-2H"	20.974666
"96499"	268.955563	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H+Cl"	33.962126
"538248"	394.942813	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H+Cl"	33.962126
"933953"	142.968313	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+Cl"	33.962126
"272508"	538.918402	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Cl"	34.969402
"661890"	790.892902	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Cl"	34.969402
"1275266"	286.943902	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl"	34.969402
"27551"	540.897606	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+K"	36.948606
"470271"	792.872106	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+K"	36.948606
"847834"	288.923106	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+K"	36.948606
"1562934"	288.923106	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K-2H"	36.948606
"950818"	296.972694	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+HCOOH"	44.998194
"364657"	548.947201	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+HCOOH-H"	44.998201
"351820"	562.962851	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Hac-H"	59.013851
"1503935"	310.988351	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Hac-H"	59.013851
"968196"	318.954651	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+NaCOOH"	66.980151
"120385"	286.943902	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Cl"	69.938804
"556663"	412.931152	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Cl"	69.938804
"1034210"	160.956652	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Cl"	69.938804
"1255615"	330.893385	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Br"	78.918885
"1316242"	332.949372	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+HCOOH"	80.974872
"1333376"	354.931329	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+NaCOOH"	102.956829
"922611"	364.960086	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+CF3COOH"	112.985586
"1302845"	400.936764	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+CF3COOH"	148.962264
"1374198"	216.961824	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-2H2O"	-35.012676
"1390600"	234.9718	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-H2O"	-17.0027
"286276"	504.956276	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H"	1.007276
"677603"	756.930776	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H"	1.007276
"1353224"	252.981776	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H"	1.007276
"127935"	252.981776	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2H"	2.014552
"570777"	378.969026	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2H"	2.014552
"1044680"	126.994526	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H"	2.014552
"211488"	168.990276	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H"	3.021828
"648859"	252.981776	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+3H"	3.021828
"1166986"	84.998776	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3H"	3.021828
"439888"	521.982823	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+NH4"	18.033823
"800014"	773.957323	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+NH4"	18.033823
"1694883"	270.008323	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4"	18.033823
"342435"	261.4950495	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+NH4"	19.041099
"736683"	387.4822995	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+NH4"	19.041099
"1489772"	135.5077995	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+NH4"	19.041099
"407973"	526.938218	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na"	22.989218
"769211"	778.912718	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na"	22.989218
"1617067"	274.963718	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na"	22.989218
"326497"	263.972747	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+Na"	23.996494
"720370"	389.959997	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+Na"	23.996494
"1469449"	137.985497	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+Na"	23.996494
"1059416"	92.32609	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H+Na"	25.00377
"1265466"	285.007986	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+CH3OH+H"	33.033486
"379667"	542.912158	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+K"	38.963158
"742848"	794.886658	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+K"	38.963158
"1542719"	290.937658	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K"	38.963158
"305366"	271.959717	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+K"	39.970434
"705081"	397.946967	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+K"	39.970434
"1450517"	145.972467	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+K"	39.970434
"245678"	545.982826	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+H"	42.033826
"1224342"	294.008326	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+H"	42.033826
"1207738"	147.507801	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+2H"	43.041102
"203167"	548.92016	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na-H"	44.97116
"643657"	800.89466	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na-H"	44.97116
"1140394"	296.94566	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na-H"	44.97116
"184777"	274.963718	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na"	45.978436
"626526"	400.950968	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na"	45.978436
"1126753"	148.976468	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na"	45.978436
"1409182"	99.653404	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+2Na"	46.985712
"1440205"	298.987246	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+HCOOH"	47.012746
"227717"	279.99674	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H2O+2H"	56.04448
"1512499"	313.03929	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+H"	61.06479
"412184"	282.950688	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na+K"	61.952376
"773545"	408.937938	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na+K"	61.952376
"1669874"	156.963438	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+K"	61.952376
"254203"	567.964768	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+Na"	64.015768
"1226547"	315.990268	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+Na"	64.015768
"1714705"	316.013793	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+HCOOH"	64.039293
"1180063"	106.980718	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3Na"	68.967654
"1657251"	320.969188	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+HCOOH"	68.994688
"170679"	580.86804	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K-H"	76.91904
"611334"	832.84254	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K-H"	76.91904
"1098762"	328.89354	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K-H"	76.91904
"156800"	290.937658	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K"	77.926316
"595506"	416.924908	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K"	77.926316
"1084176"	164.950408	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K"	77.926316
"1114321"	330.908092	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K+H"	78.933592
"1351185"	330.995707	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+DMSO+H"	79.021207
"1020574"	335.034876	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+H"	83.060376
"1537358"	336.028508	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+Na+H"	84.054008
"1004538"	168.021076	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+2H"	84.067652
"1601591"	336.943128	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+HCOOH"	84.968628
"1425064"	366.974638	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+CF3COOH"	115.000138
"1161793"	188.534351	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3ACN+2H"	125.094202
"1711953"	384.001185	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+CF3COOH"	132.026685
"1638368"	388.95658	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+CF3COOH"	136.98208
"1586051"	404.93052	"C15245"	"7-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-3-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+CF3COOH"	152.95602
"806574"	251.9745	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M"	0
"988496"	232.95611	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H2O-H"	-19.01839
"78322"	166.975724	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-3H"	-3.021828
"518123"	250.967224	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-3H"	-3.021828
"894833"	82.984224	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-3H"	-3.021828
"15189"	250.967224	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H"	-2.014552
"455116"	376.954474	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H"	-2.014552
"832103"	124.979974	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H"	-2.014552
"91490"	502.941724	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H"	-1.007276
"531048"	754.916224	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H"	-1.007276
"908853"	250.967224	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H"	-1.007276
"58853"	519.968271	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+NH4"	16.019271
"497320"	771.942771	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+NH4"	16.019271
"871841"	267.993771	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+NH4"	16.019271
"46510"	524.923666	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+Na"	20.974666
"486799"	776.898166	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+Na"	20.974666
"861477"	272.949166	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+Na"	20.974666
"1629916"	272.949166	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na-2H"	20.974666
"99889"	268.955563	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H+Cl"	33.962126
"538358"	394.942813	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H+Cl"	33.962126
"937343"	142.968313	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+Cl"	33.962126
"272981"	538.918402	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Cl"	34.969402
"661879"	790.892902	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Cl"	34.969402
"1275255"	286.943902	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl"	34.969402
"28754"	540.897606	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+K"	36.948606
"471363"	792.872106	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+K"	36.948606
"848146"	288.923106	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+K"	36.948606
"1567418"	288.923106	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K-2H"	36.948606
"952021"	296.972694	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+HCOOH"	44.998194
"368047"	548.947201	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+HCOOH-H"	44.998201
"355210"	562.962851	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Hac-H"	59.013851
"1504045"	310.988351	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Hac-H"	59.013851
"968306"	318.954651	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+NaCOOH"	66.980151
"116120"	286.943902	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Cl"	69.938804
"556773"	412.931152	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Cl"	69.938804
"1031040"	160.956652	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Cl"	69.938804
"1254996"	330.893385	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Br"	78.918885
"1317081"	332.949372	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+HCOOH"	80.974872
"1333122"	354.931329	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+NaCOOH"	102.956829
"924908"	364.960086	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+CF3COOH"	112.985586
"1302347"	400.936764	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+CF3COOH"	148.962264
"1374308"	216.961824	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-2H2O"	-35.012676
"1390710"	234.9718	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-H2O"	-17.0027
"286387"	504.956276	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H"	1.007276
"679170"	756.930776	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H"	1.007276
"1355156"	252.981776	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H"	1.007276
"127681"	252.981776	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2H"	2.014552
"574897"	378.969026	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2H"	2.014552
"1044791"	126.994526	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H"	2.014552
"214878"	168.990276	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H"	3.021828
"649335"	252.981776	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+3H"	3.021828
"1164419"	84.998776	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3H"	3.021828
"439253"	521.982823	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+NH4"	18.033823
"799030"	773.957323	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+NH4"	18.033823
"1694264"	270.008323	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4"	18.033823
"341450"	261.4950495	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+NH4"	19.041099
"731688"	387.4822995	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+NH4"	19.041099
"1487695"	135.5077995	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+NH4"	19.041099
"408290"	526.938218	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na"	22.989218
"769605"	778.912718	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na"	22.989218
"1618315"	274.963718	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na"	22.989218
"329483"	263.972747	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+Na"	23.996494
"718658"	389.959997	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+Na"	23.996494
"1473935"	137.985497	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+Na"	23.996494
"1058433"	92.32609	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H+Na"	25.00377
"1264483"	285.007986	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+CH3OH+H"	33.033486
"383058"	542.912158	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+K"	38.963158
"742960"	794.886658	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+K"	38.963158
"1546108"	290.937658	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K"	38.963158
"305476"	271.959717	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+K"	39.970434
"706526"	397.946967	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+K"	39.970434
"1456094"	145.972467	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+K"	39.970434
"246882"	545.982826	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+H"	42.033826
"1224937"	294.008326	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+H"	42.033826
"1208820"	147.507801	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+2H"	43.041102
"204010"	548.92016	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na-H"	44.97116
"643692"	800.89466	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na-H"	44.97116
"1146979"	296.94566	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na-H"	44.97116
"188377"	274.963718	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na"	45.978436
"628058"	400.950968	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na"	45.978436
"1129051"	148.976468	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na"	45.978436
"1413424"	99.653404	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+2Na"	46.985712
"1439224"	298.987246	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+HCOOH"	47.012746
"231107"	279.99674	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H2O+2H"	56.04448
"1513702"	313.03929	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+H"	61.06479
"414480"	282.950688	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na+K"	61.952376
"778759"	408.937938	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na+K"	61.952376
"1669621"	156.963438	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+K"	61.952376
"256140"	567.964768	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+Na"	64.015768
"1228849"	315.990268	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+Na"	64.015768
"1717002"	316.013793	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+HCOOH"	64.039293
"1181632"	106.980718	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3Na"	68.967654
"1651893"	320.969188	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+HCOOH"	68.994688
"169694"	580.86804	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K-H"	76.91904
"605973"	832.84254	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K-H"	76.91904
"1098143"	328.89354	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K-H"	76.91904
"156911"	290.937658	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K"	77.926316
"596101"	416.924908	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K"	77.926316
"1083985"	164.950408	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K"	77.926316
"1115165"	330.908092	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K+H"	78.933592
"1350456"	330.995707	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+DMSO+H"	79.021207
"1020321"	335.034876	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+H"	83.060376
"1536375"	336.028508	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+Na+H"	84.054008
"1004769"	168.021076	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+2H"	84.067652
"1601826"	336.943128	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+HCOOH"	84.968628
"1426997"	366.974638	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+CF3COOH"	115.000138
"1160931"	188.534351	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3ACN+2H"	125.094202
"1711576"	384.001185	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+CF3COOH"	132.026685
"1638478"	388.95658	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+CF3COOH"	136.98208
"1586161"	404.93052	"C15246"	"9-Hydroxy-34-dichlorodibenzofuran;67-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+CF3COOH"	152.95602
"806684"	251.9745	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M"	0
"987877"	232.95611	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H2O-H"	-19.01839
"78464"	166.975724	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-3H"	-3.021828
"518195"	250.967224	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-3H"	-3.021828
"893486"	82.984224	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-3H"	-3.021828
"13882"	250.967224	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H"	-2.014552
"455426"	376.954474	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H"	-2.014552
"832213"	124.979974	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H"	-2.014552
"89413"	502.941724	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H"	-1.007276
"525691"	754.916224	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H"	-1.007276
"910056"	250.967224	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H"	-1.007276
"55683"	519.968271	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+NH4"	16.019271
"497430"	771.942771	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+NH4"	16.019271
"870858"	267.993771	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+NH4"	16.019271
"45686"	524.923666	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+Na"	20.974666
"482692"	776.898166	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+Na"	20.974666
"860492"	272.949166	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+Na"	20.974666
"1628933"	272.949166	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na-2H"	20.974666
"95627"	268.955563	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-H+Cl"	33.962126
"540656"	394.942813	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-H+Cl"	33.962126
"939641"	142.968313	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+Cl"	33.962126
"272363"	538.918402	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Cl"	34.969402
"662597"	790.892902	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Cl"	34.969402
"1274635"	286.943902	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl"	34.969402
"29957"	540.897606	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M-2H+K"	36.948606
"468423"	792.872106	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M-2H+K"	36.948606
"848400"	288.923106	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-2H+K"	36.948606
"1567164"	288.923106	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K-2H"	36.948606
"952860"	296.972694	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+HCOOH"	44.998194
"368157"	548.947201	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+HCOOH-H"	44.998201
"352040"	562.962851	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Hac-H"	59.013851
"1503062"	310.988351	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Hac-H"	59.013851
"967323"	318.954651	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+NaCOOH"	66.980151
"117323"	286.943902	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Cl"	69.938804
"556883"	412.931152	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Cl"	69.938804
"1031150"	160.956652	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Cl"	69.938804
"1254011"	330.893385	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Br"	78.918885
"1317555"	332.949372	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+HCOOH"	80.974872
"1332865"	354.931329	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+NaCOOH"	102.956829
"926112"	364.960086	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M-H+CF3COOH"	112.985586
"1302456"	400.936764	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Cl+CF3COOH"	148.962264
"1371138"	216.961824	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-2H2O"	-35.012676
"1385718"	234.9718	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H-H2O"	-17.0027
"284675"	504.956276	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H"	1.007276
"679649"	756.930776	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H"	1.007276
"1354902"	252.981776	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H"	1.007276
"127427"	252.981776	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2H"	2.014552
"575007"	378.969026	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2H"	2.014552
"1044901"	126.994526	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H"	2.014552
"214988"	168.990276	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H"	3.021828
"649081"	252.981776	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+3H"	3.021828
"1163559"	84.998776	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3H"	3.021828
"437049"	521.982823	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+NH4"	18.033823
"799505"	773.957323	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+NH4"	18.033823
"1693646"	270.008323	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4"	18.033823
"340833"	261.4950495	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+NH4"	19.041099
"732891"	387.4822995	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+NH4"	19.041099
"1486712"	135.5077995	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+NH4"	19.041099
"407219"	526.938218	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na"	22.989218
"768944"	778.912718	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na"	22.989218
"1617039"	274.963718	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na"	22.989218
"327810"	263.972747	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+Na"	23.996494
"719132"	389.959997	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+Na"	23.996494
"1474773"	137.985497	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+Na"	23.996494
"1059636"	92.32609	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2H+Na"	25.00377
"1264228"	285.007986	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+CH3OH+H"	33.033486
"383168"	542.912158	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+K"	38.963158
"743070"	794.886658	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+K"	38.963158
"1542937"	290.937658	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K"	38.963158
"306677"	271.959717	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+H+K"	39.970434
"705302"	397.946967	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+H+K"	39.970434
"1456932"	145.972467	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+K"	39.970434
"245898"	545.982826	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+H"	42.033826
"1218607"	294.008326	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+H"	42.033826
"1207958"	147.507801	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+2H"	43.041102
"203626"	548.92016	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na-H"	44.97116
"642820"	800.89466	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na-H"	44.97116
"1143896"	296.94566	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na-H"	44.97116
"187796"	274.963718	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2Na"	45.978436
"626748"	400.950968	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2Na"	45.978436
"1126973"	148.976468	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2Na"	45.978436
"1411955"	99.653404	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+2Na"	46.985712
"1439334"	298.987246	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+HCOOH"	47.012746
"230123"	279.99674	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+3H2O+2H"	56.04448
"1512719"	313.03929	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+H"	61.06479
"414590"	282.950688	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+Na+K"	61.952376
"779962"	408.937938	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+Na+K"	61.952376
"1669731"	156.963438	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+K"	61.952376
"254064"	567.964768	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+ACN+Na"	64.015768
"1227499"	315.990268	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+ACN+Na"	64.015768
"1717843"	316.013793	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+HCOOH"	64.039293
"1181009"	106.980718	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3Na"	68.967654
"1651030"	320.969188	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+HCOOH"	68.994688
"168708"	580.86804	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K-H"	76.91904
"609362"	832.84254	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K-H"	76.91904
"1096063"	328.89354	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K-H"	76.91904
"156531"	290.937658	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"2M+2K"	77.926316
"596414"	416.924908	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"3M+2K"	77.926316
"1083895"	164.950408	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K"	77.926316
"1115029"	330.908092	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2K+H"	78.933592
"1351260"	330.995707	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+DMSO+H"	79.021207
"1020794"	335.034876	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+H"	83.060376
"1536486"	336.028508	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+IsoProp+Na+H"	84.054008
"1004640"	168.021076	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+2ACN+2H"	84.067652
"1602542"	336.943128	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+HCOOH"	84.968628
"1427107"	366.974638	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+H+CF3COOH"	115.000138
"1162134"	188.534351	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+3ACN+2H"	125.094202
"1712053"	384.001185	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+NH4+CF3COOH"	132.026685
"1638589"	388.95658	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+Na+CF3COOH"	136.98208
"1586271"	404.93052	"C15247"	"9-Hydroxy-26-dichlorodibenzofuran;48-Dichloro-1-dibenzofuranol"	"C12H6Cl2O2"	"251.9745"	"M+K+CF3COOH"	152.95602
"810075"	305.9173	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M"	0
"987624"	286.89891	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H2O-H"	-19.01839
"77571"	202.937590666667	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-3H"	-3.021828
"516522"	304.910024	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-3H"	-3.021828
"893231"	100.965157333333	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-3H"	-3.021828
"12899"	304.910024	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H"	-2.014552
"452825"	457.868674	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H"	-2.014552
"831353"	151.951374	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H"	-2.014552
"88430"	610.827324	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-H"	-1.007276
"525801"	916.744624	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-H"	-1.007276
"909072"	304.910024	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H"	-1.007276
"55793"	627.853871	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+NH4"	16.019271
"494259"	933.771171	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+NH4"	16.019271
"872061"	321.936571	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+NH4"	16.019271
"42151"	632.809266	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+Na"	20.974666
"483898"	938.726566	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+Na"	20.974666
"857323"	326.891966	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+Na"	20.974666
"1630866"	326.891966	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na-2H"	20.974666
"101208"	322.898363	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-H+Cl"	33.962126
"538580"	475.857013	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-H+Cl"	33.962126
"939752"	169.939713	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+Cl"	33.962126
"270653"	646.804002	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Cl"	34.969402
"669636"	952.721302	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Cl"	34.969402
"1277665"	340.886702	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl"	34.969402
"30067"	648.783206	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M-2H+K"	36.948606
"469626"	954.700506	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M-2H+K"	36.948606
"846703"	342.865906	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-2H+K"	36.948606
"1566544"	342.865906	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K-2H"	36.948606
"952239"	350.915494	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+HCOOH"	44.998194
"368267"	656.832801	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+HCOOH-H"	44.998201
"349963"	670.848451	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Hac-H"	59.013851
"1497702"	364.931151	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Hac-H"	59.013851
"961597"	372.897451	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+NaCOOH"	66.980151
"111235"	340.886702	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Cl"	69.938804
"560273"	493.845352	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Cl"	69.938804
"1032355"	187.928052	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Cl"	69.938804
"1254121"	384.836185	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Br"	78.918885
"1316572"	386.892172	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+HCOOH"	80.974872
"1333339"	408.874129	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+NaCOOH"	102.956829
"924399"	418.902886	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M-H+CF3COOH"	112.985586
"1301472"	454.879564	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Cl+CF3COOH"	148.962264
"1378540"	270.904624	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H-2H2O"	-35.012676
"1388745"	288.9146	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H-H2O"	-17.0027
"288432"	612.841876	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H"	1.007276
"679759"	918.759176	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H"	1.007276
"1356106"	306.924576	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H"	1.007276
"128630"	306.924576	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2H"	2.014552
"576210"	459.883226	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2H"	2.014552
"1045011"	153.965926	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2H"	2.014552
"212912"	204.952142666667	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+3H"	3.021828
"651378"	306.924576	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+3H"	3.021828
"1164762"	102.979709333333	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3H"	3.021828
"437523"	629.868423	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+NH4"	18.033823
"799247"	935.785723	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+NH4"	18.033823
"1694118"	323.951123	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4"	18.033823
"338392"	315.4378495	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+NH4"	19.041099
"731908"	468.3964995	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+NH4"	19.041099
"1489009"	162.4791995	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+NH4"	19.041099
"406965"	634.823818	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Na"	22.989218
"768568"	940.741118	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Na"	22.989218
"1617152"	328.906518	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na"	22.989218
"325734"	317.915547	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+Na"	23.996494
"718149"	470.874197	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+Na"	23.996494
"1472332"	164.956897	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+Na"	23.996494
"1058654"	110.307023333333	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2H+Na"	25.00377
"1266526"	338.950786	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+CH3OH+H"	33.033486
"385465"	650.797758	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+K"	38.963158
"743181"	956.715058	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+K"	38.963158
"1542682"	344.880458	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K"	38.963158
"305694"	325.902517	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+H+K"	39.970434
"699212"	478.861167	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+H+K"	39.970434
"1454125"	172.943867	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+K"	39.970434
"246008"	653.868426	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+ACN+H"	42.033826
"1218716"	347.951126	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+H"	42.033826
"1206610"	174.479201	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+2H"	43.041102
"202763"	656.80576	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Na-H"	44.97116
"643295"	962.72306	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Na-H"	44.97116
"1144006"	350.88846	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Na-H"	44.97116
"185842"	328.906518	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2Na"	45.978436
"625402"	481.865168	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2Na"	45.978436
"1124534"	175.947868	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2Na"	45.978436
"1409151"	117.634337333333	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+2Na"	46.985712
"1436164"	352.930046	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+HCOOH"	47.012746
"228410"	333.93954	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+3H2O+2H"	56.04448
"1515015"	366.98209	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+H"	61.06479
"412513"	336.893488	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+Na+K"	61.952376
"776792"	489.852138	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+Na+K"	61.952376
"1668747"	183.934838	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+K"	61.952376
"253808"	675.850368	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+ACN+Na"	64.015768
"1229433"	369.933068	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+ACN+Na"	64.015768
"1719047"	369.956593	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4+HCOOH"	64.039293
"1182216"	124.961651333333	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3Na"	68.967654
"1655393"	374.911988	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+HCOOH"	68.994688
"172101"	688.75364	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2K-H"	76.91904
"611660"	994.67094	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2K-H"	76.91904
"1096171"	382.83634	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K-H"	76.91904
"149709"	344.880458	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"2M+2K"	77.926316
"596522"	497.839108	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"3M+2K"	77.926316
"1083993"	191.921808	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K"	77.926316
"1113556"	384.850892	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2K+H"	78.933592
"1350672"	384.938507	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+DMSO+H"	79.021207
"1020662"	388.977676	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2ACN+H"	83.060376
"1538784"	389.971308	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+IsoProp+Na+H"	84.054008
"1004140"	194.992476	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+2ACN+2H"	84.067652
"1602288"	390.885928	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K+HCOOH"	84.968628
"1426488"	420.917438	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+H+CF3COOH"	115.000138
"1162244"	215.505751	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+3ACN+2H"	125.094202
"1711801"	437.943985	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+NH4+CF3COOH"	132.026685
"1639792"	442.89938	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+Na+CF3COOH"	136.98208
"1586381"	458.87332	"C15248"	"4-Hydroxy-2355-tetrachlorobiphenyl;2355-Tetrachloro-4-biphenylol"	"C12H6Cl4O"	"305.9173"	"M+K+CF3COOH"	152.95602
"806904"	301.0272	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M"	0
"987734"	282.00881	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-H2O-H"	-19.01839
"77076"	199.677524	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M-3H"	-3.021828
"517247"	300.019924	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M-3H"	-3.021828
"889333"	99.335124	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-3H"	-3.021828
"13374"	300.019924	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M-2H"	-2.014552
"452937"	450.533524	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M-2H"	-2.014552
"830496"	149.506324	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-2H"	-2.014552
"87447"	601.047124	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M-H"	-1.007276
"531381"	902.074324	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M-H"	-1.007276
"908823"	300.019924	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-H"	-1.007276
"59186"	618.073671	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M-2H+NH4"	16.019271
"499840"	919.100871	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M-2H+NH4"	16.019271
"872175"	317.046471	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-2H+NH4"	16.019271
"37888"	623.029066	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M-2H+Na"	20.974666
"478540"	924.056266	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M-2H+Na"	20.974666
"854154"	322.001866	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-2H+Na"	20.974666
"1625874"	322.001866	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Na-2H"	20.974666
"100222"	318.008263	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M-H+Cl"	33.962126
"538690"	468.521863	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M-H+Cl"	33.962126
"936580"	167.494663	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-H+Cl"	33.962126
"270763"	637.023802	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+Cl"	34.969402
"669746"	938.051002	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+Cl"	34.969402
"1277775"	335.996602	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Cl"	34.969402
"30179"	639.003006	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M-2H+K"	36.948606
"468278"	940.030206	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M-2H+K"	36.948606
"846813"	337.975806	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-2H+K"	36.948606
"1567385"	337.975806	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+K-2H"	36.948606
"955995"	346.025394	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-H+HCOOH"	44.998194
"374210"	647.052601	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+HCOOH-H"	44.998201
"352261"	661.068251	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+Hac-H"	59.013851
"1497813"	360.041051	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Hac-H"	59.013851
"963168"	368.007351	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-H+NaCOOH"	66.980151
"119729"	335.996602	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+2Cl"	69.938804
"562206"	486.510202	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+2Cl"	69.938804
"1033560"	185.483002	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2Cl"	69.938804
"1254962"	379.946085	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Br"	78.918885
"1316685"	382.002072	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Cl+HCOOH"	80.974872
"1331992"	403.984029	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Cl+NaCOOH"	102.956829
"922684"	414.012786	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M-H+CF3COOH"	112.985586
"1301582"	449.989464	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Cl+CF3COOH"	148.962264
"1376828"	266.014524	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H-2H2O"	-35.012676
"1391042"	284.0245	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H-H2O"	-17.0027
"289635"	603.061676	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+H"	1.007276
"679869"	904.088876	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+H"	1.007276
"1355123"	302.034476	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H"	1.007276
"129106"	302.034476	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+2H"	2.014552
"574133"	452.548076	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+2H"	2.014552
"1046214"	151.520876	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2H"	2.014552
"213022"	201.692076	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+3H"	3.021828
"650395"	302.034476	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+3H"	3.021828
"1163775"	101.349676	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+3H"	3.021828
"439091"	620.088223	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+NH4"	18.033823
"800814"	921.115423	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+NH4"	18.033823
"1695684"	319.061023	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+NH4"	18.033823
"340688"	310.5477495	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+H+NH4"	19.041099
"735664"	461.0613495	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+H+NH4"	19.041099
"1489849"	160.0341495	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H+NH4"	19.041099
"406712"	625.043618	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+Na"	22.989218
"769169"	926.070818	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+Na"	22.989218
"1616778"	324.016418	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Na"	22.989218
"327789"	313.025447	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+H+Na"	23.996494
"717895"	463.539047	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+H+Na"	23.996494
"1469893"	162.511847	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H+Na"	23.996494
"1060951"	108.67699	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2H+Na"	25.00377
"1265909"	334.060686	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+CH3OH+H"	33.033486
"385577"	641.017558	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+K"	38.963158
"745480"	942.044758	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+K"	38.963158
"1547529"	339.990358	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+K"	38.963158
"310181"	321.012417	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+H+K"	39.970434
"702604"	471.526017	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+H+K"	39.970434
"1457518"	170.498817	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H+K"	39.970434
"248306"	644.088226	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+ACN+H"	42.033826
"1221014"	343.061026	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+ACN+H"	42.033826
"1206358"	172.034151	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+ACN+2H"	43.041102
"202511"	647.02556	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+2Na-H"	44.97116
"642434"	948.05276	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+2Na-H"	44.97116
"1145213"	345.99836	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2Na-H"	44.97116
"185224"	324.016418	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+2Na"	45.978436
"625514"	474.530018	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+2Na"	45.978436
"1126833"	173.502818	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2Na"	45.978436
"1412183"	116.004304	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H+2Na"	46.985712
"1440287"	348.039946	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H+HCOOH"	47.012746
"228522"	329.04944	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+3H2O+2H"	56.04448
"1521690"	362.09199	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+IsoProp+H"	61.06479
"416635"	332.003388	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+Na+K"	61.952376
"779091"	482.516988	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+Na+K"	61.952376
"1672140"	181.489788	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Na+K"	61.952376
"259389"	666.070168	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+ACN+Na"	64.015768
"1229906"	365.042968	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+ACN+Na"	64.015768
"1715881"	365.066493	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+NH4+HCOOH"	64.039293
"1182689"	123.331618	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+3Na"	68.967654
"1652221"	370.021888	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Na+HCOOH"	68.994688
"168928"	678.97344	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+2K-H"	76.91904
"612589"	980.00064	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+2K-H"	76.91904
"1098107"	377.94624	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2K-H"	76.91904
"154923"	339.990358	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"2M+2K"	77.926316
"591567"	490.503958	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"3M+2K"	77.926316
"1082643"	189.476758	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2K"	77.926316
"1113667"	379.960792	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2K+H"	78.933592
"1348957"	380.048407	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+DMSO+H"	79.021207
"1018581"	384.087576	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2ACN+H"	83.060376
"1535613"	385.081208	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+IsoProp+Na+H"	84.054008
"1003155"	192.547426	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+2ACN+2H"	84.067652
"1602038"	385.995828	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+K+HCOOH"	84.968628
"1429277"	416.027338	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+H+CF3COOH"	115.000138
"1162233"	213.060701	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+3ACN+2H"	125.094202
"1706438"	433.053885	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+NH4+CF3COOH"	132.026685
"1645372"	438.00928	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+Na+CF3COOH"	136.98208
"1586491"	453.98322	"C15249"	"2-(35-Dichlorophenylcarbamoyl)-12-dimethylcyclopropane-1-carboxylic acid"	"C13H13Cl2NO3"	"301.0272"	"M+K+CF3COOH"	152.95602
"807014"	233.9963	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M"	0
"989748"	214.97791	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-H2O-H"	-19.01839
"70977"	154.990257333333	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M-3H"	-3.021828
"517103"	232.989024	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M-3H"	-3.021828
"890537"	76.9914906666667	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-3H"	-3.021828
"12391"	232.989024	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M-2H"	-2.014552
"452684"	349.987174	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M-2H"	-2.014552
"830730"	115.990874	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-2H"	-2.014552
"90839"	466.985324	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M-H"	-1.007276
"531492"	700.981624	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M-H"	-1.007276
"909055"	232.989024	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-H"	-1.007276
"60881"	484.011871	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M-2H+NH4"	16.019271
"498858"	718.008171	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M-2H+NH4"	16.019271
"876659"	250.015571	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-2H+NH4"	16.019271
"42373"	488.967266	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M-2H+Na"	20.974666
"484118"	722.963566	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M-2H+Na"	20.974666
"855360"	254.970966	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-2H+Na"	20.974666
"1631453"	254.970966	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Na-2H"	20.974666
"104710"	250.977363	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M-H+Cl"	33.962126
"540989"	367.975513	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M-H+Cl"	33.962126
"939977"	133.979213	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-H+Cl"	33.962126
"279991"	502.962002	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+Cl"	34.969402
"672774"	736.958302	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+Cl"	34.969402
"1284447"	268.965702	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Cl"	34.969402
"25914"	504.941206	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M-2H+K"	36.948606
"467662"	738.937506	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M-2H+K"	36.948606
"844370"	270.944906	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-2H+K"	36.948606
"1560202"	270.944906	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+K-2H"	36.948606
"955740"	278.994494	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-H+HCOOH"	44.998194
"365207"	512.990801	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+HCOOH-H"	44.998201
"351276"	527.006451	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+Hac-H"	59.013851
"1496829"	293.010151	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Hac-H"	59.013851
"964369"	300.976451	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-H+NaCOOH"	66.980151
"115465"	268.965702	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+2Cl"	69.938804
"562680"	385.963852	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+2Cl"	69.938804
"1033675"	151.967552	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2Cl"	69.938804
"1253255"	312.915185	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Br"	78.918885
"1317892"	314.971172	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Cl+HCOOH"	80.974872
"1331740"	336.953129	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Cl+NaCOOH"	102.956829
"923525"	346.981886	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M-H+CF3COOH"	112.985586
"1301692"	382.958564	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Cl+CF3COOH"	148.962264
"1374752"	198.983624	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H-2H2O"	-35.012676
"1391152"	216.9936	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H-H2O"	-17.0027
"289745"	468.999876	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+H"	1.007276
"679979"	702.996176	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+H"	1.007276
"1359607"	235.003576	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H"	1.007276
"131403"	235.003576	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+2H"	2.014552
"570963"	352.001726	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+2H"	2.014552
"1045231"	118.005426	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2H"	2.014552
"216412"	157.004809333333	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+3H"	3.021828
"647589"	235.003576	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+3H"	3.021828
"1164615"	79.0060426666667	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+3H"	3.021828
"439772"	486.026423	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+NH4"	18.033823
"801212"	720.022723	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+NH4"	18.033823
"1696771"	252.030123	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+NH4"	18.033823
"342256"	243.5168495	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+H+NH4"	19.041099
"735774"	360.5149995	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+H+NH4"	19.041099
"1489230"	126.5186995	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H+NH4"	19.041099
"405728"	490.981818	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+Na"	22.989218
"767817"	724.978118	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+Na"	22.989218
"1616765"	256.985518	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Na"	22.989218
"324858"	245.994547	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+H+Na"	23.996494
"715088"	362.992697	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+H+Na"	23.996494
"1467816"	128.996397	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H+Na"	23.996494
"1061058"	86.3333566666667	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2H+Na"	25.00377
"1260185"	267.029786	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+CH3OH+H"	33.033486
"383498"	506.955758	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+K"	38.963158
"744496"	740.952058	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+K"	38.963158
"1546547"	272.959458	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+K"	38.963158
"313087"	253.981517	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+H+K"	39.970434
"706361"	370.979667	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+H+K"	39.970434
"1460425"	136.983367	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H+K"	39.970434
"250973"	510.026426	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+ACN+H"	42.033826
"1223922"	276.030126	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+ACN+H"	42.033826
"1209387"	138.518701	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+ACN+2H"	43.041102
"203839"	512.96376	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+2Na-H"	44.97116
"643764"	746.96006	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+2Na-H"	44.97116
"1145329"	278.96746	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2Na-H"	44.97116
"186063"	256.985518	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+2Na"	45.978436
"626356"	373.983668	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+2Na"	45.978436
"1128766"	139.987368	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2Na"	45.978436
"1409739"	93.6606706666667	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H+2Na"	46.985712
"1442947"	281.009046	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H+HCOOH"	47.012746
"232277"	262.01854	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+3H2O+2H"	56.04448
"1522527"	295.06109	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+IsoProp+H"	61.06479
"418568"	264.972488	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+Na+K"	61.952376
"780294"	381.970638	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+Na+K"	61.952376
"1673344"	147.974338	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Na+K"	61.952376
"260592"	532.008368	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+ACN+Na"	64.015768
"1233661"	298.012068	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+ACN+Na"	64.015768
"1720728"	298.035593	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+NH4+HCOOH"	64.039293
"1184622"	100.987984666667	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+3Na"	68.967654
"1655611"	302.990988	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Na+HCOOH"	68.994688
"168672"	544.91164	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+2K-H"	76.91904
"603130"	778.90794	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+2K-H"	76.91904
"1097486"	310.91534	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2K-H"	76.91904
"146646"	272.959458	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"2M+2K"	77.926316
"592771"	389.957608	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"3M+2K"	77.926316
"1082877"	155.961308	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2K"	77.926316
"1115243"	312.929892	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2K+H"	78.933592
"1350408"	313.017507	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+DMSO+H"	79.021207
"1020769"	317.056676	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2ACN+H"	83.060376
"1538277"	318.050308	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+IsoProp+Na+H"	84.054008
"1003265"	159.031976	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+2ACN+2H"	84.067652
"1602707"	318.964928	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+K+HCOOH"	84.968628
"1429267"	348.996438	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+H+CF3COOH"	115.000138
"1162100"	179.545251	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+3ACN+2H"	125.094202
"1706548"	366.022985	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+NH4+CF3COOH"	132.026685
"1645482"	370.97838	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+Na+CF3COOH"	136.98208
"1586601"	386.95232	"C15250"	"3-(34-Dichlorophenyl)-1-hydroxy-1-methylurea;Hydroxylinuron"	"C8H8Cl2N2O2"	"233.9963"	"M+K+CF3COOH"	152.95602
"803844"	399.3501	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M"	0
"989407"	380.33171	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-H2O-H"	-19.01839
"69994"	265.226124	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M-3H"	-3.021828
"516119"	398.342824	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M-3H"	-3.021828
"891741"	132.109424	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-3H"	-3.021828
"15054"	398.342824	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M-2H"	-2.014552
"454252"	598.017874	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M-2H"	-2.014552
"830961"	198.667774	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-2H"	-2.014552
"88763"	797.692924	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M-H"	-1.007276
"530509"	1197.043024	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M-H"	-1.007276
"910379"	398.342824	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-H"	-1.007276
"62286"	814.719471	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M-2H+NH4"	16.019271
"501886"	1214.069571	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M-2H+NH4"	16.019271
"876770"	415.369371	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-2H+NH4"	16.019271
"41390"	819.674866	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M-2H+Na"	20.974666
"483135"	1219.024966	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M-2H+Na"	20.974666
"855470"	420.324766	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-2H+Na"	20.974666
"1630469"	420.324766	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Na-2H"	20.974666
"104820"	416.331163	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M-H+Cl"	33.962126
"542192"	616.006213	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M-H+Cl"	33.962126
"940084"	216.656113	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-H+Cl"	33.962126
"279733"	833.669602	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+Cl"	34.969402
"672884"	1233.019702	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+Cl"	34.969402
"1285650"	434.319502	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Cl"	34.969402
"27119"	835.648806	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M-2H+K"	36.948606
"466678"	1234.998906	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M-2H+K"	36.948606
"836825"	436.298706	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-2H+K"	36.948606
"1560312"	436.298706	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+K-2H"	36.948606
"951475"	444.348294	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-H+HCOOH"	44.998194
"364222"	843.698401	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+HCOOH-H"	44.998201
"348106"	857.714051	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+Hac-H"	59.013851
"1496939"	458.363951	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Hac-H"	59.013851
"964478"	466.330251	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-H+NaCOOH"	66.980151
"118855"	434.319502	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+2Cl"	69.938804
"562790"	633.994552	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+2Cl"	69.938804
"1032691"	234.644452	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2Cl"	69.938804
"1251904"	478.268985	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Br"	78.918885
"1316543"	480.324972	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Cl+HCOOH"	80.974872
"1332214"	502.306929	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Cl+NaCOOH"	102.956829
"924000"	512.335686	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M-H+CF3COOH"	112.985586
"1299618"	548.312364	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Cl+CF3COOH"	148.962264
"1374862"	364.337424	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H-2H2O"	-35.012676
"1391262"	382.3474	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H-H2O"	-17.0027
"286939"	799.707476	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+H"	1.007276
"679722"	1199.057576	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+H"	1.007276
"1357530"	400.357376	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H"	1.007276
"131513"	400.357376	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+2H"	2.014552
"569980"	600.032426	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+2H"	2.014552
"1046434"	200.682326	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2H"	2.014552
"213242"	267.240676	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+3H"	3.021828
"648428"	400.357376	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+3H"	3.021828
"1164361"	134.123976	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+3H"	3.021828
"438947"	816.734023	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+NH4"	18.033823
"800303"	1216.084123	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+NH4"	18.033823
"1696270"	417.383923	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+NH4"	18.033823
"342731"	408.8706495	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+H+NH4"	19.041099
"735522"	608.5456995	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+H+NH4"	19.041099
"1492467"	209.1955995	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H+NH4"	19.041099
"406928"	821.689418	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+Na"	22.989218
"766835"	1221.039518	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+Na"	22.989218
"1616026"	422.339318	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Na"	22.989218
"324968"	411.348347	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+H+Na"	23.996494
"714105"	611.023397	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+H+Na"	23.996494
"1465740"	211.673297	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H+Na"	23.996494
"1057891"	141.45129	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2H+Na"	25.00377
"1259930"	432.383586	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+CH3OH+H"	33.033486
"383608"	837.663358	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+K"	38.963158
"742420"	1237.013458	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+K"	38.963158
"1543744"	438.313258	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+K"	38.963158
"312223"	419.335317	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+H+K"	39.970434
"702823"	619.010367	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+H+K"	39.970434
"1457737"	219.660267	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H+K"	39.970434
"249620"	840.734026	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+ACN+H"	42.033826
"1224758"	441.383926	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+ACN+H"	42.033826
"1207916"	221.195601	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+ACN+2H"	43.041102
"202002"	843.67136	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+2Na-H"	44.97116
"643832"	1243.02146	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+2Na-H"	44.97116
"1146651"	444.32126	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2Na-H"	44.97116
"186903"	422.339318	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+2Na"	45.978436
"627192"	622.014368	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+2Na"	45.978436
"1130333"	222.664268	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2Na"	45.978436
"1412038"	148.778604	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H+2Na"	46.985712
"1443057"	446.362846	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H+HCOOH"	47.012746
"234211"	427.37234	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+3H2O+2H"	56.04448
"1520449"	460.41489	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+IsoProp+H"	61.06479
"420500"	430.326288	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+Na+K"	61.952376
"779308"	630.001338	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+Na+K"	61.952376
"1673453"	230.651238	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Na+K"	61.952376
"259973"	862.715968	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+ACN+Na"	64.015768
"1232678"	463.365868	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+ACN+Na"	64.015768
"1716101"	463.389393	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+NH4+HCOOH"	64.039293
"1184732"	156.105918	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+3Na"	68.967654
"1652805"	468.344788	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Na+HCOOH"	68.994688
"168053"	875.61924	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+2K-H"	76.91904
"602147"	1274.96934	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+2K-H"	76.91904
"1096503"	476.26914	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2K-H"	76.91904
"146756"	438.313258	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"2M+2K"	77.926316
"592881"	637.988308	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"3M+2K"	77.926316
"1083354"	238.638208	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2K"	77.926316
"1115197"	478.283692	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2K+H"	78.933592
"1350274"	478.371307	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+DMSO+H"	79.021207
"1020993"	482.410476	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2ACN+H"	83.060376
"1539113"	483.404108	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+IsoProp+Na+H"	84.054008
"1003375"	241.708876	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+2ACN+2H"	84.067652
"1602382"	484.318728	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+K+HCOOH"	84.968628
"1429824"	514.350238	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+H+CF3COOH"	115.000138
"1162210"	262.222151	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+3ACN+2H"	125.094202
"1707751"	531.376785	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+NH4+CF3COOH"	132.026685
"1645592"	536.33218	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+Na+CF3COOH"	136.98208
"1586711"	552.30612	"C15251"	"3-Aza-A-homocholest-4a-en-4-one"	"C27H45NO"	"399.3501"	"M+K+CF3COOH"	152.95602
"807234"	304.2402	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M"	0
"984049"	285.22181	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"70104"	201.819524	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"516229"	303.232924	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"893310"	100.406124	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"12980"	303.232924	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"452541"	455.353024	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"831073"	151.112824	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"91059"	607.473124	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"531712"	911.713324	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"909882"	303.232924	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"60614"	624.499671	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"501269"	928.739871	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"874693"	320.259471	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"40407"	629.455066	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"483246"	933.695266	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"854488"	325.214866	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1627299"	325.214866	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"106023"	321.221263	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"542302"	473.341363	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"939828"	169.101163	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"279842"	643.449802	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"670807"	947.690002	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1285033"	339.209602	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"28322"	645.429006	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"468976"	949.669206	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"836935"	341.188806	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1560422"	341.188806	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"952679"	349.238394	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"365425"	653.478601	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"350403"	667.494251	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1494862"	363.254051	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"963494"	371.220351	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"113497"	339.209602	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"555245"	491.329702	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1033887"	187.089502	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1253108"	383.159085	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1318112"	385.215072	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1331233"	407.197029	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"925203"	417.225786	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1301184"	453.202464	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1377888"	269.227524	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1391372"	287.2375	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"289965"	609.487676	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"679104"	913.727876	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1360920"	305.247476	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"132716"	305.247476	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"574464"	457.367576	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1045451"	153.127376	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"213352"	203.834076	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"648538"	305.247476	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1165930"	102.420676	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"439625"	626.514223	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"799684"	930.754423	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1696017"	322.274023	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"342474"	313.7607495	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"735629"	465.8808495	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1488355"	161.6406495	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"404852"	631.469618	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"764752"	935.709818	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1613950"	327.229418	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"326904"	316.238447	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"715308"	468.358547	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1466943"	164.118347	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1058001"	109.74799	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1260770"	337.273686	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"386999"	647.443558	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"742530"	951.683758	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1545677"	343.203358	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"311605"	324.225417	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"702569"	476.345517	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1457847"	172.105317	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"249367"	650.514226	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1223532"	346.274026	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1205961"	173.640651	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"203089"	653.45156	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"642037"	957.69176	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1145180"	349.21136	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"183367"	327.229418	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"625115"	479.349518	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1126433"	175.109318	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1412148"	117.075304	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1442440"	351.252946	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"233227"	332.26244	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1518737"	365.30499	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"419151"	335.216388	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"779418"	487.336488	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1677211"	183.096288	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"263364"	672.496168	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1232789"	368.255968	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1718398"	368.279493	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1187030"	124.402618	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1658017"	373.234888	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"167799"	685.39944	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"605537"	989.63964	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1096613"	381.15924	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"146866"	343.203358	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"596887"	495.323458	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1083825"	191.083258	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1115384"	383.173792	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1351123"	383.261407	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1021217"	387.300576	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1539858"	388.294208	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"1005073"	194.153926	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1602005"	389.208828	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1429488"	419.240338	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1161591"	214.667201	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1712121"	436.266885	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1645702"	441.22228	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1586821"	457.19622	"C15252"	"17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one;45alpha-Dihydro-4alpha-methyltestosterone"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"804064"	362.2257	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M"	0
"984159"	343.20731	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"66934"	240.476524	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"514153"	361.218424	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"894879"	119.734624	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"14547"	361.218424	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"454473"	542.331274	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"831547"	180.105574	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"91169"	723.444124	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"532794"	1085.669824	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"908171"	361.218424	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"58539"	740.470671	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"500285"	1102.696371	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"874803"	378.244971	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"41611"	745.426066	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"485422"	1107.651766	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"858970"	383.200366	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1626316"	383.200366	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"106135"	379.206763	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"545692"	560.319613	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"939938"	198.093913	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"279587"	759.420802	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"673833"	1121.646502	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1285871"	397.195102	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"25152"	761.400006	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"469086"	1123.625706	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"842513"	399.174306	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1568188"	399.174306	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"953883"	407.223894	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"367724"	769.449601	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"349420"	783.465251	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1498252"	421.239551	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"963604"	429.205851	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"113607"	397.195102	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"555355"	578.307952	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1029622"	216.082252	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1254312"	441.144585	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1316761"	443.200572	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1332071"	465.182529	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"926406"	475.211286	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1303115"	511.187964	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1380914"	327.213024	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1391482"	345.223	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"291168"	725.458676	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"680307"	1087.684376	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1357750"	363.232976	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"132826"	363.232976	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"575667"	544.345826	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1046654"	182.120126	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"214191"	242.491076	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"651927"	363.232976	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1166768"	121.749176	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"436613"	742.485223	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"796514"	1104.710923	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1693575"	380.259523	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"343316"	371.7462495	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"735011"	552.8590995	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1489558"	190.6333995	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"405694"	747.440618	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"767051"	1109.666318	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1613330"	385.214918	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"326647"	374.223947	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"713233"	555.336797	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1463409"	193.111097	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1056288"	129.07649	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1261974"	395.259186	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"381641"	763.414558	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"740454"	1125.640258	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1547974"	401.188858	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"312443"	382.210917	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"703043"	563.323767	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1457957"	201.098067	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"248748"	766.485226	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1225222"	404.259526	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1205339"	202.633401	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"202830"	769.42256	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"643239"	1131.64826	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1145283"	407.19686	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"186027"	385.214918	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"625954"	566.327768	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1126540"	204.102068	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1411888"	136.403804	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1441091"	409.238446	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"230418"	390.24794	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1515567"	423.29049	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"416345"	393.201888	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"777342"	574.314738	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1679144"	212.089038	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"263110"	788.467168	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1230348"	426.241468	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1719602"	426.264993	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1186049"	143.731118	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1655942"	431.220388	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"161711"	801.37044	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"604553"	1163.59614	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1096359"	439.14474	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"145883"	401.188858	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"596753"	582.301708	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1080895"	220.076008	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1115488"	441.159292	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1351110"	441.246907	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1021173"	445.286076	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1538848"	446.279708	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"1005141"	223.146676	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1601629"	447.194328	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1429598"	477.225838	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1162512"	243.659951	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1711260"	494.252385	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1645812"	499.20778	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1586931"	515.18172	"C15253"	"16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"804174"	328.2038	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M"	0
"984269"	309.18541	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"67044"	217.795257333333	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"515356"	327.196524	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"894257"	108.393990666667	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"13561"	327.196524	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"452758"	491.298424	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"828011"	163.094624	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"90187"	655.400324	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"530838"	983.604124	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"903179"	327.196524	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"55368"	672.426871	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"497113"	1000.630671	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"873820"	344.223071	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"34067"	677.382266	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"477999"	1005.586066	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"853613"	349.178466	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1623146"	349.178466	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"105880"	345.184863	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"543615"	509.286763	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"937132"	181.082963	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"280061"	691.377002	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"672487"	1019.580802	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1285617"	363.173202	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"24169"	693.356206	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"464822"	1021.560006	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"841530"	365.152406	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1566112"	365.152406	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"953993"	373.201994	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"367834"	701.405801	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"349164"	715.421451	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1496903"	387.217651	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"961162"	395.183951	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"111894"	363.173202	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"553642"	527.275102	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1025359"	199.071302	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1252965"	407.122685	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1316141"	409.178672	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1331816"	431.160629	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"926153"	441.189386	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1303104"	477.166064	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1381753"	293.191124	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1391592"	311.2011	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"290185"	657.414876	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"678595"	985.618676	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1357860"	329.211076	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"132936"	329.211076	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"573590"	493.312976	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1045670"	165.109176	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"211384"	219.809809333333	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"652037"	329.211076	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1163962"	110.408542666667	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"436723"	674.441423	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"796624"	1002.645223	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1694413"	346.237623	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"344519"	337.7243495	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"735485"	501.8262495	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1489304"	173.6224495	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"406168"	679.396818	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"766797"	1007.600618	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1614169"	351.193018	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"325300"	340.202047	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"720272"	504.303947	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1462426"	176.100147	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1056034"	117.735856666667	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1259897"	361.237286	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"380659"	695.370758	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"740563"	1023.574558	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1548084"	367.166958	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"310366"	348.189017	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"703153"	512.290917	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1455881"	184.087117	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"246669"	698.441426	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1220469"	370.237626	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1208848"	185.622451	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"201961"	701.37876	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"642616"	1029.58256	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1141381"	373.17496	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"182485"	351.193018	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"619859"	515.294918	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1129200"	187.091118	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1404703"	125.063170666667	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1435728"	375.216546	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"229797"	356.22604	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1515673"	389.26859	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"417546"	359.179988	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"774170"	523.281888	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1667222"	195.078088	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"257022"	720.423368	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1226810"	392.219568	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1716790"	392.243093	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1179595"	132.390484666667	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1653864"	397.198488	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"159629"	733.32664	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"600286"	1061.53044	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1086987"	405.12284	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"143803"	367.166958	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"592116"	531.268858	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1076629"	203.065058	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1105466"	407.137392	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1349142"	407.225007	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1019130"	411.264176	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1536161"	412.257808	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"1002609"	206.135726	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1596020"	413.172428	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1423868"	443.203938	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1150874"	226.649001	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1704799"	460.230485	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1642640"	465.18588	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1575011"	481.15982	"C15254"	"3-(Allyloxy)estra-135(10)-triene-16alpha17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16alpha17beta-diol;3-Allyloxyestriol"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"804284"	284.1776	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M"	0
"984379"	265.15921	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-H2O-H"	-19.01839
"70434"	188.444457333333	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M-3H"	-3.021828
"517653"	283.170324	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M-3H"	-3.021828
"894367"	93.7185906666667	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-3H"	-3.021828
"14035"	283.170324	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M-2H"	-2.014552
"454324"	425.259124	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M-2H"	-2.014552
"829942"	141.081524	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-2H"	-2.014552
"92121"	567.347924	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M-H"	-1.007276
"527668"	851.525524	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M-H"	-1.007276
"904382"	283.170324	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-H"	-1.007276
"57299"	584.374471	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M-2H+NH4"	16.019271
"496131"	868.552071	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M-2H+NH4"	16.019271
"872837"	300.196871	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-2H+NH4"	16.019271
"34541"	589.329866	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M-2H+Na"	20.974666
"475922"	873.507466	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M-2H+Na"	20.974666
"851536"	305.152266	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-2H+Na"	20.974666
"1624349"	305.152266	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Na-2H"	20.974666
"103072"	301.158663	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M-H+Cl"	33.962126
"541538"	443.247463	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M-H+Cl"	33.962126
"940520"	159.069863	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-H+Cl"	33.962126
"281264"	603.324602	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+Cl"	34.969402
"672232"	887.502202	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+Cl"	34.969402
"1283903"	319.147002	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Cl"	34.969402
"25372"	605.303806	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M-2H+K"	36.948606
"464933"	889.481406	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M-2H+K"	36.948606
"841641"	321.126206	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-2H+K"	36.948606
"1567314"	321.126206	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+K-2H"	36.948606
"951916"	329.175794	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-H+HCOOH"	44.998194
"369037"	613.353401	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+HCOOH-H"	44.998201
"349638"	627.369051	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+Hac-H"	59.013851
"1497379"	343.191451	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Hac-H"	59.013851
"961272"	351.157751	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-H+NaCOOH"	66.980151
"113827"	319.147002	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+2Cl"	69.938804
"551199"	461.235802	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+2Cl"	69.938804
"1022550"	177.058202	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2Cl"	69.938804
"1250517"	363.096485	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Br"	78.918885
"1316246"	365.152472	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Cl+HCOOH"	80.974872
"1335087"	387.134429	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Cl+NaCOOH"	102.956829
"926627"	397.163186	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M-H+CF3COOH"	112.985586
"1303581"	433.139864	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Cl+CF3COOH"	148.962264
"1381133"	249.164924	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H-2H2O"	-35.012676
"1391702"	267.1749	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H-H2O"	-17.0027
"289202"	569.362476	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+H"	1.007276
"680528"	853.540076	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+H"	1.007276
"1356877"	285.184876	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H"	1.007276
"130860"	285.184876	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+2H"	2.014552
"576981"	427.273676	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+2H"	2.014552
"1045781"	143.096076	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2H"	2.014552
"211494"	190.459009333333	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+3H"	3.021828
"651054"	285.184876	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+3H"	3.021828
"1165165"	95.7331426666667	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+3H"	3.021828
"435375"	586.389023	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+NH4"	18.033823
"793454"	870.566623	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+NH4"	18.033823
"1690878"	302.211423	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+NH4"	18.033823
"344992"	293.6981495	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+H+NH4"	19.041099
"736688"	435.7869495	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+H+NH4"	19.041099
"1492170"	151.6093495	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H+NH4"	19.041099
"404822"	591.344418	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+Na"	22.989218
"768366"	875.522018	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+Na"	22.989218
"1616100"	307.166818	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Na"	22.989218
"326140"	296.175847	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+H+Na"	23.996494
"721110"	438.264647	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+H+Na"	23.996494
"1465815"	154.087047	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H+Na"	23.996494
"1059424"	103.060456666667	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2H+Na"	25.00377
"1266568"	317.211086	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+CH3OH+H"	33.033486
"381862"	607.318358	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+K"	38.963158
"745045"	891.495958	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+K"	38.963158
"1544913"	323.140758	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+K"	38.963158
"302092"	304.162817	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+H+K"	39.970434
"702169"	446.251617	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+H+K"	39.970434
"1457084"	162.074017	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H+K"	39.970434
"246779"	610.389026	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+ACN+H"	42.033826
"1220579"	326.211426	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+ACN+H"	42.033826
"1208715"	163.609351	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+ACN+2H"	43.041102
"200612"	613.32636	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+2Na-H"	44.97116
"639078"	897.50396	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+2Na-H"	44.97116
"1138210"	329.14876	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2Na-H"	44.97116
"180404"	307.166818	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+2Na"	45.978436
"621061"	449.255618	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+2Na"	45.978436
"1129189"	165.078018	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2Na"	45.978436
"1405906"	110.387770666667	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H+2Na"	46.985712
"1438025"	331.190346	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H+HCOOH"	47.012746
"228813"	312.19984	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+3H2O+2H"	56.04448
"1515783"	345.24239	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+IsoProp+H"	61.06479
"419843"	315.153788	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+Na+K"	61.952376
"775373"	457.242588	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+Na+K"	61.952376
"1669519"	173.064988	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Na+K"	61.952376
"257132"	632.370968	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+ACN+Na"	64.015768
"1228015"	348.193368	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+ACN+Na"	64.015768
"1715079"	348.216893	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+NH4+HCOOH"	64.039293
"1179704"	117.715084666667	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+3Na"	68.967654
"1653974"	353.172288	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Na+HCOOH"	68.994688
"159739"	645.27424	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+2K-H"	76.91904
"600396"	929.45184	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+2K-H"	76.91904
"1086004"	361.09664	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2K-H"	76.91904
"143184"	323.140758	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"2M+2K"	77.926316
"592226"	465.229558	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"3M+2K"	77.926316
"1076739"	181.051958	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2K"	77.926316
"1106669"	363.111192	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2K+H"	78.933592
"1349374"	363.198807	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+DMSO+H"	79.021207
"1019240"	367.237976	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2ACN+H"	83.060376
"1536271"	368.231608	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+IsoProp+Na+H"	84.054008
"1002719"	184.122626	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+2ACN+2H"	84.067652
"1597223"	369.146228	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+K+HCOOH"	84.968628
"1423976"	399.177738	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+H+CF3COOH"	115.000138
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"1704909"	416.204285	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+NH4+CF3COOH"	132.026685
"1642750"	421.15968	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+Na+CF3COOH"	136.98208
"1577308"	437.13362	"C15255"	"1-Methylestra-135(10)6-tetraene-317beta-diol"	"C19H24O2"	"284.1776"	"M+K+CF3COOH"	152.95602
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"1356987"	423.217776	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+H"	1.007276
"129876"	423.217776	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+2H"	2.014552
"573810"	634.323026	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+2H"	2.014552
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"651164"	423.217776	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+3H"	3.021828
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"433661"	862.454823	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+NH4"	18.033823
"792471"	1284.665323	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+NH4"	18.033823
"1688801"	440.244323	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+NH4"	18.033823
"343645"	431.7310495	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+H+NH4"	19.041099
"736435"	642.8362995	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+H+NH4"	19.041099
"1492319"	220.6257995	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+H+NH4"	19.041099
"407479"	867.410218	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+Na"	22.989218
"768478"	1289.620718	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+Na"	22.989218
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"327705"	434.208747	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+H+Na"	23.996494
"721584"	645.313997	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+H+Na"	23.996494
"1475038"	223.103497	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+H+Na"	23.996494
"1061721"	149.071423333333	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2H+Na"	25.00377
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"744062"	1305.594658	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+K"	38.963158
"1548303"	461.173658	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+K"	38.963158
"306576"	442.195717	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+H+K"	39.970434
"701186"	653.300967	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+H+K"	39.970434
"1459381"	231.090467	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+H+K"	39.970434
"250779"	886.454826	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+ACN+H"	42.033826
"1224462"	464.244326	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+ACN+H"	42.033826
"1209435"	232.625801	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+ACN+2H"	43.041102
"200722"	889.39216	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+2Na-H"	44.97116
"639188"	1311.60266	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+2Na-H"	44.97116
"1141600"	467.18166	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2Na-H"	44.97116
"181609"	445.199718	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+2Na"	45.978436
"621171"	656.304968	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+2Na"	45.978436
"1128691"	234.094468	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2Na"	45.978436
"1408204"	156.398737333333	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+H+2Na"	46.985712
"1443602"	469.223246	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+H+HCOOH"	47.012746
"233297"	450.23274	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+3H2O+2H"	56.04448
"1521361"	483.27529	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+IsoProp+H"	61.06479
"422869"	453.186688	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+Na+K"	61.952376
"780949"	664.291938	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+Na+K"	61.952376
"1672908"	242.081438	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+Na+K"	61.952376
"259428"	908.436768	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+ACN+Na"	64.015768
"1236509"	486.226268	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+ACN+Na"	64.015768
"1721021"	486.249793	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+NH4+HCOOH"	64.039293
"1183095"	163.726051333333	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+3Na"	68.967654
"1655176"	491.205188	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+Na+HCOOH"	68.994688
"158756"	921.34004	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+2K-H"	76.91904
"602692"	1343.55054	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+2K-H"	76.91904
"1087571"	499.12954	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2K-H"	76.91904
"145117"	461.173658	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"2M+2K"	77.926316
"591243"	672.278908	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"3M+2K"	77.926316
"1074662"	250.068408	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2K"	77.926316
"1106779"	501.144092	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2K+H"	78.933592
"1349849"	501.231707	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+DMSO+H"	79.021207
"1019108"	505.270876	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2ACN+H"	83.060376
"1536381"	506.264508	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+IsoProp+Na+H"	84.054008
"999549"	253.139076	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+2ACN+2H"	84.067652
"1595146"	507.179128	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+K+HCOOH"	84.968628
"1420806"	537.210638	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+H+CF3COOH"	115.000138
"1148542"	273.652351	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+3ACN+2H"	125.094202
"1701739"	554.237185	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+NH4+CF3COOH"	132.026685
"1642860"	559.19258	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+Na+CF3COOH"	136.98208
"1583979"	575.16652	"C15256"	"6alpha-Fluoro-17-hydroxycorticosterone 21-acetate;6alpha-Fluoro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate"	"C23H31FO6"	"422.2105"	"M+K+CF3COOH"	152.95602
"807784"	274.1933	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M"	0
"984599"	255.17491	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-H2O-H"	-19.01839
"70654"	181.788257333333	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M-3H"	-3.021828
"516416"	273.186024	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M-3H"	-3.021828
"895483"	90.3904906666667	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-3H"	-3.021828
"15277"	273.186024	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M-2H"	-2.014552
"452002"	410.282674	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M-2H"	-2.014552
"830533"	136.089374	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-2H"	-2.014552
"91254"	547.379324	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M-H"	-1.007276
"532873"	821.572624	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M-H"	-1.007276
"907522"	273.186024	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-H"	-1.007276
"58978"	564.405871	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M-2H+NH4"	16.019271
"497444"	838.599171	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M-2H+NH4"	16.019271
"875244"	290.212571	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-2H+NH4"	16.019271
"39865"	569.361266	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M-2H+Na"	20.974666
"484892"	843.554566	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M-2H+Na"	20.974666
"858318"	295.167966	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-2H+Na"	20.974666
"1628944"	295.167966	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Na-2H"	20.974666
"106573"	291.174363	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M-H+Cl"	33.962126
"543946"	428.271013	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M-H+Cl"	33.962126
"940741"	154.077713	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-H+Cl"	33.962126
"279298"	583.356002	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+Cl"	34.969402
"672452"	857.549302	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+Cl"	34.969402
"1287041"	309.162702	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Cl"	34.969402
"23409"	585.335206	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M-2H+K"	36.948606
"464062"	859.528506	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M-2H+K"	36.948606
"846234"	311.141906	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-2H+K"	36.948606
"1569357"	311.141906	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+K-2H"	36.948606
"956876"	319.191494	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-H+HCOOH"	44.998194
"373631"	593.384801	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+HCOOH-H"	44.998201
"354232"	607.400451	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+Hac-H"	59.013851
"1503066"	333.207151	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Hac-H"	59.013851
"967325"	341.173451	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-H+NaCOOH"	66.980151
"117327"	309.162702	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+2Cl"	69.938804
"554336"	446.259352	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+2Cl"	69.938804
"1032249"	172.066052	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2Cl"	69.938804
"1255112"	353.112185	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Br"	78.918885
"1319021"	355.168172	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Cl+HCOOH"	80.974872
"1333967"	377.150129	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Cl+NaCOOH"	102.956829
"926729"	387.178886	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M-H+CF3COOH"	112.985586
"1303725"	423.155564	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Cl+CF3COOH"	148.962264
"1378800"	239.180624	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H-2H2O"	-35.012676
"1396297"	257.1906	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H-H2O"	-17.0027
"292702"	549.393876	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+H"	1.007276
"684029"	823.587176	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+H"	1.007276
"1359284"	275.200576	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H"	1.007276
"136548"	275.200576	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+2H"	2.014552
"576473"	412.297226	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+2H"	2.014552
"1044907"	138.103926	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2H"	2.014552
"210621"	183.802809333333	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+3H"	3.021828
"651274"	275.200576	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+3H"	3.021828
"1163564"	92.4050426666667	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+3H"	3.021828
"439690"	566.420423	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+NH4"	18.033823
"794768"	840.613723	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+NH4"	18.033823
"1691828"	292.227123	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+NH4"	18.033823
"344119"	283.7138495	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+H+NH4"	19.041099
"736909"	420.8104995	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+H+NH4"	19.041099
"1490363"	146.6171995	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H+NH4"	19.041099
"407589"	571.375818	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+Na"	22.989218
"769197"	845.569118	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+Na"	22.989218
"1614502"	297.182518	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Na"	22.989218
"325632"	286.191547	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+H+Na"	23.996494
"720238"	423.288197	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+H+Na"	23.996494
"1476731"	149.094897	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H+Na"	23.996494
"1062924"	99.7323566666667	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2H+Na"	25.00377
"1266788"	307.226786	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+CH3OH+H"	33.033486
"389740"	587.349758	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+K"	38.963158
"749640"	861.543058	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+K"	38.963158
"1550600"	313.156458	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+K"	38.963158
"309966"	294.178517	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+H+K"	39.970434
"705670"	431.275167	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+H+K"	39.970434
"1461258"	157.081867	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H+K"	39.970434
"251135"	590.420426	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+ACN+H"	42.033826
"1225300"	316.227126	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+ACN+H"	42.033826
"1209794"	158.617201	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+ACN+2H"	43.041102
"203019"	593.35776	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+2Na-H"	44.97116
"641485"	867.55106	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+2Na-H"	44.97116
"1142804"	319.16446	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2Na-H"	44.97116
"179532"	297.182518	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+2Na"	45.978436
"620188"	434.279168	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+2Na"	45.978436
"1119319"	160.085868	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2Na"	45.978436
"1408314"	107.059670666667	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H+2Na"	46.985712
"1445177"	321.206046	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H+HCOOH"	47.012746
"235658"	302.21554	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+3H2O+2H"	56.04448
"1523659"	335.25809	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+IsoProp+H"	61.06479
"424074"	305.169488	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+Na+K"	61.952376
"784828"	442.266138	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+Na+K"	61.952376
"1677393"	168.072838	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Na+K"	61.952376
"262820"	612.402368	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+ACN+Na"	64.015768
"1238807"	338.209068	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+ACN+Na"	64.015768
"1723318"	338.232593	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+NH4+HCOOH"	64.039293
"1189768"	114.386984666667	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+3Na"	68.967654
"1657475"	343.187988	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Na+HCOOH"	68.994688
"164335"	625.30564	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+2K-H"	76.91904
"601708"	899.49894	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+2K-H"	76.91904
"1088772"	351.11234	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2K-H"	76.91904
"143771"	313.156458	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"2M+2K"	77.926316
"586249"	450.253108	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"3M+2K"	77.926316
"1074772"	176.059808	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2K"	77.926316
"1106889"	353.126892	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2K+H"	78.933592
"1349838"	353.214507	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+DMSO+H"	79.021207
"1019217"	357.253676	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2ACN+H"	83.060376
"1535397"	358.247308	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+IsoProp+Na+H"	84.054008
"998565"	179.130476	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+2ACN+2H"	84.067652
"1595256"	359.161928	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+K+HCOOH"	84.968628
"1420916"	389.193438	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+H+CF3COOH"	115.000138
"1148652"	199.643751	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+3ACN+2H"	125.094202
"1701849"	406.219985	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+NH4+CF3COOH"	132.026685
"1642970"	411.17538	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+Na+CF3COOH"	136.98208
"1580809"	427.14932	"C15257"	"17beta-Hydroxyestr-5(10)-en-3-one;Prenortestosterone"	"C18H26O2"	"274.1933"	"M+K+CF3COOH"	152.95602
"804614"	288.2089	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M"	0
"977054"	269.19051	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"68577"	191.131990666667	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"516162"	287.201624	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"895592"	95.0623573333333	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"15712"	287.201624	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"454540"	431.306074	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"831009"	143.097174	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"93993"	575.410524	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"533107"	863.619424	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"907998"	287.201624	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"60308"	592.437071	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"499740"	880.645971	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"875353"	304.228171	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"44348"	597.392466	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"480628"	885.601366	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"857334"	309.183566	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1627960"	309.183566	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"107777"	305.189963	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"546243"	449.294413	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"940489"	161.085513	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"280501"	611.387202	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"672929"	899.596102	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1285329"	323.178302	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"26800"	613.366406	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"467452"	901.575306	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"846346"	325.157506	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1569468"	325.157506	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"957597"	333.207094	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"373741"	621.416001	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"356529"	635.431651	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1503176"	347.222751	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"965248"	355.189051	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"117437"	323.178302	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"554082"	467.282752	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1031266"	179.073852	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1251940"	367.127785	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1316577"	369.183772	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1329697"	391.165729	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"926842"	401.194486	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1304113"	437.171164	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1378910"	253.196224	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1396772"	271.2062	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"289530"	577.425076	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"683046"	865.633976	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1363406"	289.216176	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"137024"	289.216176	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"575854"	433.320626	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1045017"	145.111726	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"210731"	193.146542666667	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"651384"	289.216176	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1164402"	97.0769093333333	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"439879"	594.451623	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"799618"	882.660523	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1693396"	306.242723	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"343866"	297.7294495	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"737019"	441.8338995	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1490474"	153.6249995	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"405513"	599.407018	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"769639"	887.615918	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1617816"	311.198118	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"329350"	300.207147	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"722583"	444.311597	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1476565"	156.102697	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1065224"	104.404223333333	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1266901"	321.242386	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"391791"	615.380958	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"751937"	903.589858	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1550709"	327.172058	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"312264"	308.194117	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"706558"	452.298567	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1459975"	164.089667	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"251327"	618.451626	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1225490"	330.242726	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1208801"	165.625001	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"194381"	621.38896	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"633941"	909.59786	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1139634"	333.18006	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"177455"	311.198118	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"620298"	455.302568	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1119429"	167.093668	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1406967"	111.731537333333	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1445591"	335.221646	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"234614"	316.23114	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1522311"	349.27369	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"423091"	319.185088	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"785647"	463.289538	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1678596"	175.080638	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"262931"	640.433568	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1238552"	352.224668	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1722336"	352.248193	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1186598"	119.058851333333	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1657583"	357.203588	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"163352"	653.33684	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"601089"	941.54574	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1089612"	365.12794	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"143516"	327.172058	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"585995"	471.276508	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1073789"	183.067608	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1110279"	367.142492	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1350555"	367.230107	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1020907"	371.269276	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1535507"	372.262908	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"1000862"	186.138276	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1595366"	373.177528	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1421026"	403.209038	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1148155"	206.651551	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1701959"	420.235585	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1643080"	425.19098	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1584199"	441.16492	"C15258"	"17beta-Hydroxy-2alpha-methylestr-4-en-3-one;2alpha-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"804724"	302.2246	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M"	0
"976071"	283.20621	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"69780"	200.475790666667	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"514449"	301.217324	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"895053"	99.7342573333333	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"14840"	301.217324	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"455256"	452.329624	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"831725"	150.105024	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"93290"	603.441924	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"531395"	905.666524	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"908833"	301.217324	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"59565"	620.468471	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"501308"	922.693071	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"875464"	318.243871	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"44824"	625.423866	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"484384"	927.648466	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"861818"	323.199266	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1628070"	323.199266	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"106793"	319.205663	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"544166"	470.317963	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"939869"	168.093363	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"280612"	639.418602	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"671579"	941.643202	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1286167"	337.194002	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"27639"	641.397806	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"467928"	943.622406	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"844636"	339.173206	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1567759"	339.173206	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"950176"	347.222794	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"374581"	649.447401	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"355547"	663.463051	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1503286"	361.238451	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"968639"	369.204751	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"119734"	337.194002	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"555285"	488.306302	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1029188"	186.081702	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1252049"	381.143485	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1315593"	383.199472	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1329807"	405.181429	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"926914"	415.210186	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1303533"	451.186864	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1375739"	267.211924	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1393234"	285.2219	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"288545"	605.456476	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"678780"	907.681076	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1357316"	303.231876	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"132393"	303.231876	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"574140"	454.344176	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1045126"	152.119576	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"210841"	202.490342666667	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"651494"	303.231876	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1164877"	101.748809333333	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"435815"	622.483023	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"799728"	924.707623	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1692412"	320.258423	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"343610"	311.7451495	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"737493"	462.8574495	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1490218"	160.6328495	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"408054"	627.438418	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"769798"	929.663018	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1618005"	325.213818	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"329947"	314.222847	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"722735"	465.335147	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1476883"	163.110547	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1067648"	109.076123333333	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1268105"	335.258086	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"388864"	643.412358	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"749862"	945.636958	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1553130"	341.187758	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"312374"	322.209817	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"706463"	473.322117	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1461015"	171.097517	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"249409"	646.483026	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1223206"	344.258426	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1205631"	172.632851	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"195584"	649.42036	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"634050"	951.64496	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1140837"	347.19576	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"178658"	325.213818	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"618217"	476.326118	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1121725"	174.101518	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1408168"	116.403437333333	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1445317"	349.237346	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"233995"	330.24684	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1520599"	363.28939	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"423769"	333.200788	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"784931"	484.313088	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1680165"	182.088488	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"264500"	668.464968	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1238662"	366.240368	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1724268"	366.263893	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1187801"	123.730751333333	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1659151"	371.219288	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"164557"	681.36824	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"601928"	983.59284	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1091180"	379.14364	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"148731"	341.187758	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"586105"	492.300058	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1070978"	190.075458	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1109296"	381.158192	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1348961"	381.245807	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1018585"	385.284976	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1535617"	386.278608	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1002065"	193.146126	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1595476"	387.193228	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1424416"	417.224738	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1148144"	213.659401	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1703162"	434.251285	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1643190"	439.20668	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1584309"	455.18062	"C15259"	"17beta-Hydroxy-2alpha17-dimethylestr-4-en-3-one;2alpha17-Dimethyl-19-nortestosterone"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"808114"	314.2246	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M"	0
"976181"	295.20621	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"65515"	208.475790666667	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"512734"	313.217324	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"894674"	103.734257333333	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"15193"	313.217324	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"454029"	470.329624	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"829769"	156.105024	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"92306"	627.441924	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"530776"	941.666524	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"906028"	313.217324	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"58945"	644.468471	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"498503"	958.693071	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"875574"	330.243871	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"43111"	649.423866	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"481942"	963.648466	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"855367"	335.199266	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1625993"	335.199266	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"97059"	331.205663	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"540996"	488.317963	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"936698"	174.093363	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"278172"	663.418602	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"672052"	977.643202	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1278985"	349.194002	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"25561"	665.397806	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"465851"	979.622406	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"843652"	351.173206	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1566771"	351.173206	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"951378"	359.222794	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"373962"	673.447401	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"355657"	687.463051	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1502303"	373.238451	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"962917"	381.204751	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"114741"	349.194002	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"552479"	506.306302	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1023100"	192.081702	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1251066"	393.143485	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1315340"	395.199472	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1327730"	417.181429	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"926898"	427.210186	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1303563"	463.186864	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1378401"	279.211924	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1391157"	297.2219	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"287562"	629.456476	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"679983"	943.681076	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1356333"	315.231876	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"131410"	315.231876	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"572064"	472.344176	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1045236"	158.119576	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"206938"	210.490342666667	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"650511"	315.231876	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1165717"	105.748809333333	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"436288"	646.483023	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"798744"	960.707623	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1693616"	332.258423	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"341896"	323.7451495	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"735417"	480.8574495	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1489235"	166.6328495	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"407313"	651.438418	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"769039"	965.663018	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1616535"	337.213818	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"328030"	326.222847	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"721543"	483.335147	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1475609"	169.110547	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1065443"	113.076123333333	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1269308"	347.258086	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"387880"	667.412358	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"748878"	981.636958	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1553482"	353.187758	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"313091"	334.209817	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"704910"	491.322117	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1460068"	177.097517	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"248424"	670.483026	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1221859"	356.258426	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1206105"	178.632851	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"201159"	673.42036	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"635253"	987.64496	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1143133"	359.19576	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"179861"	337.213818	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"620512"	494.326118	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1120738"	180.101518	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1404263"	120.403437333333	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1442220"	361.237346	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"232280"	342.24684	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1521799"	375.28939	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"421126"	345.200788	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"784311"	502.313088	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1678818"	188.088488	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"262423"	692.464968	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1235857"	378.240368	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1725836"	378.263893	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1189004"	127.730751333333	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1659991"	383.219288	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"167947"	705.36824	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"603132"	1019.59284	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1090197"	391.14364	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"148841"	353.187758	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"586215"	510.300058	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1071088"	196.075458	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1109406"	393.158192	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1349923"	393.245807	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1019546"	397.284976	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1534634"	398.278608	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"998895"	199.146126	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1595586"	399.193228	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1424526"	429.224738	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1148254"	219.659401	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1703272"	446.251285	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1643300"	451.20668	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1584419"	467.18062	"C15260"	"5beta-Pregn-11-ene-320-dione"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"804944"	272.1776	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M"	0
"976290"	253.15921	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H2O-H"	-19.01839
"64896"	180.444457333333	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-3H"	-3.021828
"511751"	271.170324	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-3H"	-3.021828
"893933"	89.7185906666667	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-3H"	-3.021828
"15426"	271.170324	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H"	-2.014552
"455434"	407.259124	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H"	-2.014552
"831457"	135.081524	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H"	-2.014552
"92659"	543.347924	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-H"	-1.007276
"531979"	815.525524	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-H"	-1.007276
"908689"	271.170324	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H"	-1.007276
"60513"	560.374471	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+NH4"	16.019271
"500314"	832.552071	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+NH4"	16.019271
"877507"	288.196871	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+NH4"	16.019271
"44561"	565.329866	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+Na"	20.974666
"482051"	837.507466	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+Na"	20.974666
"855477"	293.152266	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+Na"	20.974666
"1622823"	293.152266	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na-2H"	20.974666
"97169"	289.158663	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-H+Cl"	33.962126
"545847"	425.247463	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-H+Cl"	33.962126
"939362"	153.069863	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+Cl"	33.962126
"278646"	579.324602	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Cl"	34.969402
"671067"	851.502202	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+Cl"	34.969402
"1279095"	307.147002	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl"	34.969402
"28223"	581.303806	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M-2H+K"	36.948606
"470092"	853.481406	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M-2H+K"	36.948606
"845220"	309.126206	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-2H+K"	36.948606
"1565788"	309.126206	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K-2H"	36.948606
"955859"	317.175794	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+HCOOH"	44.998194
"374801"	589.353401	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+HCOOH-H"	44.998201
"355767"	603.369051	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Hac-H"	59.013851
"1500226"	331.191451	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Hac-H"	59.013851
"960353"	339.157751	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+NaCOOH"	66.980151
"115215"	307.147002	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Cl"	69.938804
"551129"	443.235802	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Cl"	69.938804
"1025762"	171.058202	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2Cl"	69.938804
"1245342"	351.096485	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Br"	78.918885
"1314357"	353.152472	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+HCOOH"	80.974872
"1328934"	375.134429	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+NaCOOH"	102.956829
"926318"	385.163186	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M-H+CF3COOH"	112.985586
"1303637"	421.139864	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Cl+CF3COOH"	148.962264
"1378875"	237.164924	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H-2H2O"	-35.012676
"1391267"	255.1749	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H-H2O"	-17.0027
"287672"	545.362476	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H"	1.007276
"679000"	817.540076	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H"	1.007276
"1358631"	273.184876	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H"	1.007276
"131520"	273.184876	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2H"	2.014552
"568894"	409.273676	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2H"	2.014552
"1045346"	137.096076	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2H"	2.014552
"207412"	182.459009333333	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+3H"	3.021828
"646608"	273.184876	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+3H"	3.021828
"1165824"	91.7331426666667	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+3H"	3.021828
"430926"	562.389023	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+NH4"	18.033823
"798125"	834.566623	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+NH4"	18.033823
"1692268"	290.211423	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4"	18.033823
"338725"	281.6981495	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+NH4"	19.041099
"733341"	417.7869495	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+NH4"	19.041099
"1489345"	145.6093495	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+NH4"	19.041099
"406936"	567.344418	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Na"	22.989218
"769392"	839.522018	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+Na"	22.989218
"1617131"	295.166818	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na"	22.989218
"328020"	284.175847	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+Na"	23.996494
"721899"	420.264647	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+Na"	23.996494
"1476327"	148.087047	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+Na"	23.996494
"1065555"	99.0604566666667	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2H+Na"	25.00377
"1270513"	305.211086	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+CH3OH+H"	33.033486
"389814"	583.318358	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+K"	38.963158
"753362"	855.495958	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+K"	38.963158
"1555215"	311.140758	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K"	38.963158
"313323"	292.162817	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+H+K"	39.970434
"705018"	428.251617	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+H+K"	39.970434
"1458841"	156.074017	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+K"	39.970434
"247442"	586.389026	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+ACN+H"	42.033826
"1223427"	314.211426	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+H"	42.033826
"1205123"	157.609351	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+2H"	43.041102
"200178"	589.32636	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Na-H"	44.97116
"637550"	861.50396	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Na-H"	44.97116
"1142879"	317.14876	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2Na-H"	44.97116
"179972"	295.166818	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2Na"	45.978436
"620622"	431.255618	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2Na"	45.978436
"1121213"	159.078018	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2Na"	45.978436
"1405466"	106.387770666667	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+2Na"	46.985712
"1440868"	319.190346	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+HCOOH"	47.012746
"230198"	300.19984	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+3H2O+2H"	56.04448
"1520814"	333.24239	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+H"	61.06479
"421236"	303.153788	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+Na+K"	61.952376
"781868"	439.242588	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+Na+K"	61.952376
"1676742"	167.064988	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+K"	61.952376
"262898"	608.370968	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+ACN+Na"	64.015768
"1235239"	336.193368	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+ACN+Na"	64.015768
"1719385"	336.216893	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4+HCOOH"	64.039293
"1186928"	113.715084666667	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+3Na"	68.967654
"1659008"	341.172288	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+HCOOH"	68.994688
"169151"	621.27424	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2K-H"	76.91904
"606523"	893.45184	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2K-H"	76.91904
"1092130"	349.09664	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2K-H"	76.91904
"148951"	311.140758	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"2M+2K"	77.926316
"584500"	447.229558	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"3M+2K"	77.926316
"1071198"	175.051958	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2K"	77.926316
"1109515"	351.111192	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2K+H"	78.933592
"1342620"	351.198807	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+DMSO+H"	79.021207
"1019414"	355.237976	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2ACN+H"	83.060376
"1535837"	356.231608	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+IsoProp+Na+H"	84.054008
"999005"	178.122626	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+2ACN+2H"	84.067652
"1595696"	357.146228	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K+HCOOH"	84.968628
"1424636"	387.177738	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+H+CF3COOH"	115.000138
"1149457"	198.635901	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+3ACN+2H"	125.094202
"1703382"	404.204285	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+NH4+CF3COOH"	132.026685
"1643410"	409.15968	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+Na+CF3COOH"	136.98208
"1584529"	425.13362	"C15261"	"Estra-135(10)-triene-316beta-diol;16beta-Estradiol"	"C18H24O2"	"272.1776"	"M+K+CF3COOH"	152.95602
"805054"	284.214	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M"	0
"978588"	265.19561	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"67922"	188.468724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"511860"	283.206724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"895607"	93.730724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"15520"	283.206724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"455614"	425.313724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"832050"	141.099724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"93133"	567.420724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"532093"	851.634724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"909164"	283.206724	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-H"	-1.007276
"60622"	584.447271	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"500549"	868.661271	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"878347"	300.233271	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"45157"	589.402666	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"484349"	873.616666	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"857774"	305.188666	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1626213"	305.188666	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"100559"	301.195063	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"544495"	443.302063	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"939106"	159.088063	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"278755"	603.397402	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"670084"	887.611402	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1280299"	319.183402	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"27237"	605.376606	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"470080"	889.590606	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"844598"	321.162606	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1565898"	321.162606	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"956697"	329.212194	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"374182"	613.426201	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"355877"	627.441851	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1497054"	343.227851	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"961314"	351.194151	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"118971"	319.183402	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"551239"	461.290402	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1027331"	177.076402	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1247275"	363.132885	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1315924"	365.188872	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1327951"	387.170829	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"925454"	397.199586	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1296812"	433.176264	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1378985"	249.201324	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1390284"	267.2113	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"287052"	569.435276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+H"	1.007276
"678380"	853.649276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1359469"	285.221276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H"	1.007276
"131630"	285.221276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"572284"	427.328276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1047643"	143.114276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2H"	2.014552
"209345"	190.483276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"645624"	285.221276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1164480"	95.745276	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+3H"	3.021828
"428850"	586.461823	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"796414"	870.675823	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1692743"	302.247823	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"339929"	293.7345495	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"734544"	435.8415495	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1487269"	151.6275495	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"407046"	591.417218	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"769501"	875.631218	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1618253"	307.203218	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Na"	22.989218
"329226"	296.212247	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"722458"	438.319247	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1476643"	154.105247	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1063478"	103.07259	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1271716"	317.247486	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"389924"	607.391158	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+K"	38.963158
"752014"	891.605158	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1551515"	323.177158	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+K"	38.963158
"307233"	304.199217	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"700748"	446.306217	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1460042"	162.092217	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"248281"	610.461826	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1222811"	326.247826	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1201953"	163.627551	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"198099"	613.39916	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"637660"	897.61316	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1141532"	329.18516	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"180082"	307.203218	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"615144"	449.310218	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1117681"	165.096218	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1400475"	110.399904	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1439521"	331.226746	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"228486"	312.23624	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1516549"	345.27879	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"421709"	315.190188	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"781611"	457.297188	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1678674"	173.083188	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"263372"	632.443768	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1236809"	348.229768	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1723869"	348.253293	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1187038"	117.727218	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1661304"	353.208688	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"167072"	645.34704	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"604445"	929.56104	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1092237"	361.13304	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"149061"	323.177158	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"588619"	465.284158	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1073131"	181.070158	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1106344"	363.147592	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1342730"	363.235207	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1018915"	367.274376	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1537041"	368.268008	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"1000208"	184.140826	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1600180"	369.182628	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1421466"	399.214138	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1149567"	204.654101	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1700211"	416.240685	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1643520"	421.19608	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1584639"	437.17002	"C15262"	"3-Methoxyestra-135(10)-trien-16beta-ol;16beta-Estradiol-3-methyl ether"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"805164"	300.2089	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M"	0
"976511"	281.19051	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"65845"	199.131990666667	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"511970"	299.201624	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"895537"	99.0623573333333	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"14550"	299.201624	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"455643"	449.306074	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"831551"	149.097174	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"92999"	599.410524	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"528547"	899.619424	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"905987"	299.201624	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"59635"	616.437071	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"500657"	916.645971	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"878094"	316.228171	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"43807"	621.392466	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"483730"	921.601366	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"856791"	321.183566	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1627416"	321.183566	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"100669"	317.189963	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"544605"	467.294413	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"939216"	167.085513	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"274490"	635.387202	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"671286"	935.596102	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1281502"	335.178302	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"29170"	637.366406	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"470190"	937.575306	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"843614"	337.157506	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1567101"	337.157506	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"956077"	345.207094	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"375385"	645.416001	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"352707"	659.431651	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1498986"	359.222751	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"964705"	367.189051	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"115801"	335.178302	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"550743"	485.282752	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1022699"	185.073852	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1251395"	379.127785	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1316764"	381.183772	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1332434"	403.165729	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"924955"	413.194486	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1300201"	449.171164	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1380555"	265.196224	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1390394"	283.2062	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"283518"	601.425076	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"679219"	901.633976	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1359579"	301.216176	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"134292"	301.216176	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"573487"	451.320626	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1047025"	151.111726	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"211278"	201.146542666667	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"646465"	301.216176	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1165683"	101.076909333333	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"428959"	618.451623	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"798347"	918.660523	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1691760"	318.242723	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"340039"	309.7294495	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"732467"	459.8338995	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1487379"	159.6249995	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"407157"	623.407018	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"768882"	923.615918	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1618408"	323.198118	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"329083"	312.207147	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"722476"	462.311597	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1477009"	162.102697	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1063588"	108.404223333333	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1271826"	333.242386	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"390034"	639.380958	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"752488"	939.589858	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1553083"	339.172058	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"308436"	320.194117	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"700858"	470.298567	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1459424"	170.089667	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"248755"	642.451626	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1223649"	342.242726	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1204979"	171.625001	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"196024"	645.38896	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"635583"	945.59786	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1141277"	345.18006	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"182379"	323.198118	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"616835"	473.302568	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1118884"	173.093668	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1402407"	115.731537333333	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1436716"	347.221646	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"225317"	328.23114	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1513380"	361.27369	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"421454"	331.185088	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"783179"	481.289538	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1677689"	181.080638	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"259104"	664.433568	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1231815"	364.224668	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1717419"	364.248193	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1191160"	123.058851333333	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1654854"	369.203588	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"169371"	677.33684	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"605650"	977.54574	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1092349"	377.12794	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"149171"	339.172058	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"587636"	489.276508	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1071420"	189.067608	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1104267"	379.142492	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1342840"	379.230107	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1011370"	383.269276	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1537151"	384.262908	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"999224"	192.138276	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1601019"	385.177528	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1421576"	415.209038	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1158425"	212.651551	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1700322"	432.235585	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1643630"	437.19098	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1584749"	453.16492	"C15263"	"A-Norpregn-3(5)-ene-220-dione;A-Norprogesterone"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"814023"	318.2559	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M"	0
"982090"	299.23751	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"71426"	211.163324	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"510987"	317.248624	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"893168"	105.078024	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"14296"	317.248624	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"452034"	476.376574	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"828013"	158.120674	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"86911"	635.504524	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"525378"	953.760424	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"905004"	317.248624	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"59016"	652.531071	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"493835"	970.786971	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"872731"	334.275171	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"42092"	657.486466	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"481288"	975.742366	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"855808"	339.230566	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1627526"	339.230566	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"100779"	335.236963	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"542529"	494.364913	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"936047"	176.109013	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"273507"	671.481202	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"665931"	989.737102	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1279425"	353.225302	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"30373"	673.460406	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"470423"	991.716306	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"843724"	355.204506	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1567211"	355.204506	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"954001"	363.254094	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"371122"	681.510001	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"352817"	695.525651	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1495816"	377.269751	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"963722"	385.236051	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"113724"	353.225302	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"550403"	512.353252	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1021835"	194.097352	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1252234"	397.174785	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1315051"	399.230772	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1331087"	421.212729	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"925793"	431.241486	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1299217"	467.218164	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1379570"	283.243224	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1389410"	301.2532	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"283343"	637.519076	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"677143"	955.774976	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1356773"	319.263176	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"132943"	319.263176	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"573597"	478.391126	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1043489"	160.135226	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"208107"	213.177876	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"645967"	319.263176	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1165792"	107.092576	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"429069"	654.545623	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"796994"	972.801523	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1691870"	336.289723	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"339055"	327.7764495	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"733670"	486.9043995	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1487489"	168.6484995	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"406172"	659.501018	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"768628"	977.756918	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1617215"	341.245118	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"329074"	330.254147	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"721859"	489.382097	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1476171"	171.126197	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1061511"	114.41989	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1267563"	351.289386	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"391237"	675.474958	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"747133"	993.730858	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1550278"	357.219058	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"303079"	338.241117	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"697688"	497.369067	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1456983"	179.113167	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"248869"	678.545626	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1219388"	360.289726	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1204360"	180.648501	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"193949"	681.48296	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"633510"	999.73886	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1139203"	363.22706	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"181397"	341.245118	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"617675"	500.373068	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1118994"	182.117168	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1400332"	121.747204	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1436826"	365.268646	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"227615"	346.27814	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1520419"	379.32069	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"421928"	349.232088	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"784631"	508.360038	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1677799"	190.104138	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"259214"	700.527568	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1233018"	382.271668	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1719715"	382.295193	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1186165"	129.074518	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1661526"	387.250588	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"166201"	713.43084	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"603576"	1031.68674	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1089182"	395.17494	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"149281"	357.219058	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"595404"	516.347008	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1077729"	198.091108	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1109846"	397.189492	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1342950"	397.277107	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1011479"	401.316276	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1536168"	402.309908	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"996054"	201.161776	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1599307"	403.224528	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1421686"	433.256038	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1158535"	221.675051	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1699339"	450.282585	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1637179"	455.23798	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1584859"	471.21192	"C15264"	"17beta-Hydroxy-5alpha-androstane acetate;17beta-Acetoxy-5alpha-androstane"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"805384"	328.2402	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M"	0
"983293"	309.22181	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H2O-H"	-19.01839
"74816"	217.819524	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-3H"	-3.021828
"512190"	327.232924	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-3H"	-3.021828
"895104"	108.406124	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-3H"	-3.021828
"13677"	327.232924	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H"	-2.014552
"454454"	491.353024	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H"	-2.014552
"828123"	163.112824	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H"	-2.014552
"87021"	655.473124	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-H"	-1.007276
"526581"	983.713324	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-H"	-1.007276
"904385"	327.232924	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H"	-1.007276
"59855"	672.499671	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+NH4"	16.019271
"497225"	1000.739871	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+NH4"	16.019271
"873934"	344.259471	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+NH4"	16.019271
"43294"	677.455066	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+Na"	20.974666
"481763"	1005.695266	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+Na"	20.974666
"858104"	349.214866	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+Na"	20.974666
"1627636"	349.214866	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na-2H"	20.974666
"106721"	345.221263	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-H+Cl"	33.962126
"541546"	509.341363	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-H+Cl"	33.962126
"935791"	181.101163	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+Cl"	33.962126
"274711"	691.449802	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Cl"	34.969402
"666042"	1019.690002	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Cl"	34.969402
"1280632"	363.209602	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl"	34.969402
"30487"	693.429006	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+K"	36.948606
"470289"	1021.669206	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+K"	36.948606
"846021"	365.188806	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+K"	36.948606
"1567322"	365.188806	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K-2H"	36.948606
"954111"	373.238394	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+HCOOH"	44.998194
"367952"	701.478601	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+HCOOH-H"	44.998201
"354020"	715.494251	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Hac-H"	59.013851
"1496290"	387.254051	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Hac-H"	59.013851
"962373"	395.220351	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+NaCOOH"	66.980151
"114198"	363.209602	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Cl"	69.938804
"550475"	527.329702	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Cl"	69.938804
"1021943"	199.089502	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Cl"	69.938804
"1250521"	407.159085	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Br"	78.918885
"1312973"	409.215072	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+HCOOH"	80.974872
"1332654"	431.197029	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+NaCOOH"	102.956829
"922258"	441.225786	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+CF3COOH"	112.985586
"1297140"	477.202464	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+CF3COOH"	148.962264
"1376399"	293.227524	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H-2H2O"	-35.012676
"1384775"	311.2375	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H-H2O"	-17.0027
"285920"	657.487676	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H"	1.007276
"677615"	985.727876	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H"	1.007276
"1353967"	329.247476	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H"	1.007276
"127585"	329.247476	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2H"	2.014552
"568240"	493.367576	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2H"	2.014552
"1042505"	165.127376	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2H"	2.014552
"206396"	219.834076	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+3H"	3.021828
"647048"	329.247476	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+3H"	3.021828
"1165537"	110.420676	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3H"	3.021828
"428085"	674.514223	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+NH4"	18.033823
"793458"	1002.754423	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+NH4"	18.033823
"1692709"	346.274023	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4"	18.033823
"341352"	337.7607495	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+NH4"	19.041099
"733781"	501.8808495	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+NH4"	19.041099
"1489785"	173.6406495	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+NH4"	19.041099
"405918"	679.469618	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Na"	22.989218
"768131"	1007.709818	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Na"	22.989218
"1617694"	351.229418	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na"	22.989218
"329069"	340.238447	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+Na"	23.996494
"721849"	504.358547	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+Na"	23.996494
"1474947"	176.118347	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+Na"	23.996494
"1063808"	117.74799	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2H+Na"	25.00377
"1268767"	361.273686	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+CH3OH+H"	33.033486
"389161"	695.443558	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+K"	38.963158
"750157"	1023.683758	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+K"	38.963158
"1550388"	367.203358	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K"	38.963158
"304283"	348.225417	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+K"	39.970434
"693058"	512.345517	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+K"	39.970434
"1454902"	184.105317	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+K"	39.970434
"248248"	698.514226	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+ACN+H"	42.033826
"1219496"	370.274026	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+H"	42.033826
"1205564"	185.640651	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+2H"	43.041102
"195151"	701.45156	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Na-H"	44.97116
"634710"	1029.69176	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Na-H"	44.97116
"1140406"	373.21136	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Na-H"	44.97116
"180413"	351.229418	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Na"	45.978436
"618878"	515.349518	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Na"	45.978436
"1118011"	187.109318	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Na"	45.978436
"1400442"	125.075304	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+2Na"	46.985712
"1434748"	375.252946	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+HCOOH"	47.012746
"225537"	356.26244	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+3H2O+2H"	56.04448
"1512505"	389.30499	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+IsoProp+H"	61.06479
"420943"	359.216388	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Na+K"	61.952376
"779755"	523.336488	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Na+K"	61.952376
"1673899"	195.096288	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+K"	61.952376
"253858"	720.496168	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+ACN+Na"	64.015768
"1227660"	392.255968	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+Na"	64.015768
"1717636"	392.279493	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4+HCOOH"	64.039293
"1182995"	132.402618	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3Na"	68.967654
"1661636"	397.234888	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+HCOOH"	68.994688
"163030"	733.39944	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2K-H"	76.91904
"604779"	1061.63964	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2K-H"	76.91904
"1090385"	405.15924	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K-H"	76.91904
"149389"	367.203358	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2K"	77.926316
"590047"	531.323458	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2K"	77.926316
"1072371"	203.083258	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K"	77.926316
"1109956"	407.173792	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K+H"	78.933592
"1343060"	407.261407	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+DMSO+H"	79.021207
"1010496"	411.300576	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2ACN+H"	83.060376
"1537371"	412.294208	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+IsoProp+Na+H"	84.054008
"996164"	206.153926	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2ACN+2H"	84.067652
"1601239"	413.208828	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K+HCOOH"	84.968628
"1421796"	443.240338	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+CF3COOH"	115.000138
"1158645"	226.667201	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3ACN+2H"	125.094202
"1702729"	460.266885	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4+CF3COOH"	132.026685
"1637289"	465.22228	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+CF3COOH"	136.98208
"1584969"	481.19622	"C15265"	"16beta-Methylpregn-4-ene-320-dione;16beta-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K+CF3COOH"	152.95602
"806587"	358.2508	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M"	0
"982310"	339.23241	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-H2O-H"	-19.01839
"72740"	237.826590666667	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M-3H"	-3.021828
"512300"	357.243524	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M-3H"	-3.021828
"894117"	118.409657333333	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-3H"	-3.021828
"11966"	357.243524	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H"	-2.014552
"452619"	536.368924	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H"	-2.014552
"829328"	178.118124	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H"	-2.014552
"90775"	715.494324	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M-H"	-1.007276
"527784"	1073.745124	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M-H"	-1.007276
"905588"	357.243524	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-H"	-1.007276
"59965"	732.520871	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H+NH4"	16.019271
"495148"	1090.771671	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H+NH4"	16.019271
"874044"	374.270071	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H+NH4"	16.019271
"43404"	737.476266	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H+Na"	20.974666
"481505"	1095.727066	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H+Na"	20.974666
"857119"	379.225466	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H+Na"	20.974666
"1625558"	379.225466	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na-2H"	20.974666
"106466"	375.231863	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M-H+Cl"	33.962126
"542749"	554.357263	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M-H+Cl"	33.962126
"936265"	196.106463	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+Cl"	33.962126
"273727"	751.471002	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Cl"	34.969402
"667244"	1109.721802	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+Cl"	34.969402
"1281832"	393.220202	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl"	34.969402
"30961"	753.450206	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H+K"	36.948606
"469425"	1111.701006	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H+K"	36.948606
"846132"	395.199406	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H+K"	36.948606
"1567432"	395.199406	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+K-2H"	36.948606
"954221"	403.248994	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+HCOOH"	44.998194
"365875"	761.499801	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+HCOOH-H"	44.998201
"351214"	775.515451	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Hac-H"	59.013851
"1493484"	417.264651	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Hac-H"	59.013851
"959931"	425.230951	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+NaCOOH"	66.980151
"112113"	393.220202	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2Cl"	69.938804
"551315"	572.345602	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2Cl"	69.938804
"1022178"	214.094802	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2Cl"	69.938804
"1249538"	437.169685	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Br"	78.918885
"1313083"	439.225672	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl+HCOOH"	80.974872
"1329484"	461.207629	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl+NaCOOH"	102.956829
"922367"	471.236386	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+CF3COOH"	112.985586
"1296157"	507.213064	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl+CF3COOH"	148.962264
"1378697"	323.238124	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H-2H2O"	-35.012676
"1383431"	341.2481	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H-H2O"	-17.0027
"283844"	717.508876	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H"	1.007276
"676633"	1075.759676	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H"	1.007276
"1353710"	359.258076	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H"	1.007276
"128060"	359.258076	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2H"	2.014552
"569078"	538.383476	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2H"	2.014552
"1041522"	180.132676	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2H"	2.014552
"206506"	239.841142666667	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+3H"	3.021828
"646064"	359.258076	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+3H"	3.021828
"1166011"	120.424209333333	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+3H"	3.021828
"428195"	734.535423	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+NH4"	18.033823
"796848"	1092.786223	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+NH4"	18.033823
"1695369"	376.284623	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+NH4"	18.033823
"342556"	367.7713495	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H+NH4"	19.041099
"734984"	546.8967495	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H+NH4"	19.041099
"1489895"	188.6459495	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+NH4"	19.041099
"406392"	739.490818	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Na"	22.989218
"769212"	1097.741618	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+Na"	22.989218
"1618051"	381.240018	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na"	22.989218
"329906"	370.249047	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H+Na"	23.996494
"721712"	549.374447	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H+Na"	23.996494
"1476634"	191.123647	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+Na"	23.996494
"1063918"	127.751523333333	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2H+Na"	25.00377
"1268876"	391.284286	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+CH3OH+H"	33.033486
"389635"	755.464758	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+K"	38.963158
"750630"	1113.715558	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+K"	38.963158
"1551591"	397.213958	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+K"	38.963158
"302206"	378.236017	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H+K"	39.970434
"692804"	557.361417	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H+K"	39.970434
"1455011"	199.110617	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+K"	39.970434
"247629"	758.535426	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+ACN+H"	42.033826
"1219606"	400.284626	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+ACN+H"	42.033826
"1201301"	200.645951	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+ACN+2H"	43.041102
"197446"	761.47276	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2Na-H"	44.97116
"633726"	1119.72356	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2Na-H"	44.97116
"1141609"	403.22196	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2Na-H"	44.97116
"178335"	381.240018	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2Na"	45.978436
"615707"	560.365418	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2Na"	45.978436
"1117027"	202.114618	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2Na"	45.978436
"1402738"	135.078837333333	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+2Na"	46.985712
"1438137"	405.263546	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+HCOOH"	47.012746
"226740"	386.27304	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+3H2O+2H"	56.04448
"1514801"	419.31559	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+IsoProp+H"	61.06479
"417773"	389.226988	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Na+K"	61.952376
"771118"	568.352388	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+Na+K"	61.952376
"1667449"	210.101588	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na+K"	61.952376
"251478"	780.517368	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+ACN+Na"	64.015768
"1225826"	422.266568	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+ACN+Na"	64.015768
"1714831"	422.290093	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+NH4+HCOOH"	64.039293
"1183105"	142.406151333333	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+3Na"	68.967654
"1661746"	427.245488	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na+HCOOH"	68.994688
"163140"	793.42064	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2K-H"	76.91904
"604889"	1151.67144	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2K-H"	76.91904
"1090495"	435.16984	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2K-H"	76.91904
"151684"	397.213958	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2K"	77.926316
"590157"	576.339358	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2K"	77.926316
"1071752"	218.088558	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2K"	77.926316
"1101680"	437.184392	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2K+H"	78.933592
"1338064"	437.272007	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+DMSO+H"	79.021207
"1008418"	441.311176	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2ACN+H"	83.060376
"1525446"	442.304808	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+IsoProp+Na+H"	84.054008
"996274"	221.159226	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+2ACN+2H"	84.067652
"1599893"	443.219428	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+K+HCOOH"	84.968628
"1416437"	473.250938	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+CF3COOH"	115.000138
"1158755"	241.672501	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+3ACN+2H"	125.094202
"1698464"	490.277485	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+NH4+CF3COOH"	132.026685
"1637399"	495.23288	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na+CF3COOH"	136.98208
"1585079"	511.20682	"C15266"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate;D-Homotestosterone propionate"	"C23H34O3"	"358.2508"	"M+K+CF3COOH"	152.95602
"805604"	356.1988	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M"	0
"988618"	337.18041	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-H2O-H"	-19.01839
"75036"	236.458590666667	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M-3H"	-3.021828
"515694"	355.191524	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M-3H"	-3.021828
"893745"	117.725657333333	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-3H"	-3.021828
"14144"	355.191524	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M-2H"	-2.014552
"452003"	533.290924	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M-2H"	-2.014552
"830170"	177.092124	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-2H"	-2.014552
"88334"	711.390324	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M-H"	-1.007276
"526802"	1067.589124	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M-H"	-1.007276
"904605"	355.191524	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-H"	-1.007276
"55698"	728.416871	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M-2H+NH4"	16.019271
"495259"	1084.615671	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M-2H+NH4"	16.019271
"874154"	372.218071	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-2H+NH4"	16.019271
"44242"	733.372266	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M-2H+Na"	20.974666
"481615"	1089.571066	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M-2H+Na"	20.974666
"861606"	377.173466	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-2H+Na"	20.974666
"1631141"	377.173466	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Na-2H"	20.974666
"105482"	373.179863	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M-H+Cl"	33.962126
"545048"	551.279263	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M-H+Cl"	33.962126
"938200"	195.080463	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-H+Cl"	33.962126
"281495"	747.367002	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+Cl"	34.969402
"670637"	1103.565802	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+Cl"	34.969402
"1283040"	391.168202	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Cl"	34.969402
"31114"	749.346206	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M-2H+K"	36.948606
"470753"	1105.545006	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M-2H+K"	36.948606
"844057"	393.147406	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-2H+K"	36.948606
"1565359"	393.147406	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+K-2H"	36.948606
"949958"	401.196994	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-H+HCOOH"	44.998194
"365985"	757.395801	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+HCOOH-H"	44.998201
"353147"	771.411451	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+Hac-H"	59.013851
"1494686"	415.212651	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Hac-H"	59.013851
"962594"	423.178951	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-H+NaCOOH"	66.980151
"112230"	391.168202	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+2Cl"	69.938804
"552150"	569.267602	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+2Cl"	69.938804
"1026425"	213.068802	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2Cl"	69.938804
"1246368"	435.117685	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Br"	78.918885
"1313192"	437.173672	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Cl+HCOOH"	80.974872
"1330687"	459.155629	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Cl+NaCOOH"	102.956829
"922842"	469.184386	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M-H+CF3COOH"	112.985586
"1298458"	505.161064	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Cl+CF3COOH"	148.962264
"1376620"	321.186124	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H-2H2O"	-35.012676
"1384637"	339.1961	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H-H2O"	-17.0027
"292709"	713.404876	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+H"	1.007276
"678204"	1069.603676	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+H"	1.007276
"1355647"	357.206076	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H"	1.007276
"128534"	357.206076	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+2H"	2.014552
"570648"	535.305476	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+2H"	2.014552
"1043819"	179.106676	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2H"	2.014552
"208440"	238.473142666667	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+3H"	3.021828
"646906"	357.206076	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+3H"	3.021828
"1165756"	119.740209333333	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+3H"	3.021828
"434870"	730.431423	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+NH4"	18.033823
"794776"	1086.630223	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+NH4"	18.033823
"1692199"	374.232623	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+NH4"	18.033823
"339386"	365.7193495	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+H+NH4"	19.041099
"734001"	543.8187495	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+H+NH4"	19.041099
"1492531"	187.6199495	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H+NH4"	19.041099
"405409"	735.386818	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+Na"	22.989218
"767506"	1091.585618	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+Na"	22.989218
"1618156"	379.188018	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Na"	22.989218
"329168"	368.197047	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+H+Na"	23.996494
"722281"	546.296447	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+H+Na"	23.996494
"1476667"	190.097647	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H+Na"	23.996494
"1064029"	127.067523333333	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2H+Na"	25.00377
"1270081"	389.232286	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+CH3OH+H"	33.033486
"388654"	751.360758	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+K"	38.963158
"747461"	1107.559558	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+K"	38.963158
"1551701"	395.161958	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+K"	38.963158
"307784"	376.184017	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+H+K"	39.970434
"702399"	554.283417	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+H+K"	39.970434
"1458774"	198.084617	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H+K"	39.970434
"245915"	754.431426	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+ACN+H"	42.033826
"1221903"	398.232626	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+ACN+H"	42.033826
"1202506"	199.619951	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+ACN+2H"	43.041102
"196469"	757.36876	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+2Na-H"	44.97116
"638214"	1113.56756	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+2Na-H"	44.97116
"1142448"	401.16996	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2Na-H"	44.97116
"182821"	379.188018	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+2Na"	45.978436
"621289"	557.287418	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+2Na"	45.978436
"1123701"	201.088618	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2Na"	45.978436
"1405038"	134.394837333333	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H+2Na"	46.985712
"1441529"	403.211546	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H+HCOOH"	47.012746
"229036"	384.22104	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+3H2O+2H"	56.04448
"1514911"	417.26359	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+IsoProp+H"	61.06479
"421528"	387.174988	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+Na+K"	61.952376
"774509"	565.274388	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+Na+K"	61.952376
"1674121"	209.075588	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Na+K"	61.952376
"260640"	776.413368	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+ACN+Na"	64.015768
"1228974"	420.214568	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+ACN+Na"	64.015768
"1715673"	420.238093	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+NH4+HCOOH"	64.039293
"1183216"	141.722151333333	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+3Na"	68.967654
"1655295"	425.193488	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Na+HCOOH"	68.994688
"160333"	789.31664	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+2K-H"	76.91904
"606092"	1145.51544	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+2K-H"	76.91904
"1091700"	433.11784	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2K-H"	76.91904
"148516"	395.161958	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"2M+2K"	77.926316
"595616"	573.261358	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"3M+2K"	77.926316
"1078060"	217.062558	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2K"	77.926316
"1110176"	435.132392	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2K+H"	78.933592
"1347294"	435.220007	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+DMSO+H"	79.021207
"1018375"	439.259176	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2ACN+H"	83.060376
"1536504"	440.252808	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+IsoProp+Na+H"	84.054008
"1002950"	220.133226	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+2ACN+2H"	84.067652
"1594169"	441.167428	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+K+HCOOH"	84.968628
"1424205"	471.198938	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+H+CF3COOH"	115.000138
"1155586"	240.646501	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+3ACN+2H"	125.094202
"1707328"	488.225485	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+NH4+CF3COOH"	132.026685
"1644070"	493.18088	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+Na+CF3COOH"	136.98208
"1585189"	509.15482	"C15267"	"(17Z)-311-Dioxopregna-417(20)-dien-21-oic acid methyl ester"	"C22H28O4"	"356.1988"	"M+K+CF3COOH"	152.95602
"808994"	241.0739	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M"	0
"979247"	222.05551	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-H2O-H"	-19.01839
"75146"	159.708657333333	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M-3H"	-3.021828
"516897"	240.066624	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M-3H"	-3.021828
"891416"	79.3506906666667	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-3H"	-3.021828
"13647"	240.066624	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M-2H"	-2.014552
"452842"	360.603574	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M-2H"	-2.014552
"829914"	119.529674	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-2H"	-2.014552
"89537"	481.140524	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M-H"	-1.007276
"529098"	722.214424	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M-H"	-1.007276
"906900"	240.066624	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-H"	-1.007276
"57993"	498.167071	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M-2H+NH4"	16.019271
"497555"	739.240971	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M-2H+NH4"	16.019271
"875357"	257.093171	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-2H+NH4"	16.019271
"44351"	503.122466	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M-2H+Na"	20.974666
"481725"	744.196366	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M-2H+Na"	20.974666
"862081"	262.048566	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-2H+Na"	20.974666
"1630886"	262.048566	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Na-2H"	20.974666
"104499"	258.054963	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M-H+Cl"	33.962126
"546616"	378.591913	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M-H+Cl"	33.962126
"939403"	137.518013	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-H+Cl"	33.962126
"278325"	517.117202	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+Cl"	34.969402
"668560"	758.191102	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+Cl"	34.969402
"1282057"	276.043302	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Cl"	34.969402
"30734"	519.096406	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M-2H+K"	36.948606
"471148"	760.170306	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M-2H+K"	36.948606
"847081"	278.022506	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-2H+K"	36.948606
"1569841"	278.022506	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+K-2H"	36.948606
"950068"	286.072094	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-H+HCOOH"	44.998194
"366095"	527.146001	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+HCOOH-H"	44.998201
"351434"	541.161651	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+Hac-H"	59.013851
"1494796"	300.087751	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Hac-H"	59.013851
"963068"	308.054051	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-H+NaCOOH"	66.980151
"112340"	276.043302	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+2Cl"	69.938804
"551169"	396.580252	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+2Cl"	69.938804
"1026535"	155.506352	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2Cl"	69.938804
"1247571"	319.992785	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Br"	78.918885
"1315488"	322.048772	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Cl+HCOOH"	80.974872
"1333712"	344.030729	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Cl+NaCOOH"	102.956829
"922952"	354.059486	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M-H+CF3COOH"	112.985586
"1301120"	390.036164	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Cl+CF3COOH"	148.962264
"1375636"	206.061224	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H-2H2O"	-35.012676
"1392038"	224.0712	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H-H2O"	-17.0027
"293912"	483.155076	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+H"	1.007276
"678314"	724.228976	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+H"	1.007276
"1355029"	242.081176	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H"	1.007276
"129009"	242.081176	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+2H"	2.014552
"571851"	362.618126	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+2H"	2.014552
"1043929"	121.544226	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2H"	2.014552
"208550"	161.723209333333	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+3H"	3.021828
"648109"	242.081176	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+3H"	3.021828
"1165139"	81.3652426666667	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+3H"	3.021828
"429508"	500.181623	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+NH4"	18.033823
"793785"	741.255523	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+NH4"	18.033823
"1686834"	259.107723	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+NH4"	18.033823
"336216"	250.5944495	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+H+NH4"	19.041099
"733016"	371.1313995	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+H+NH4"	19.041099
"1490853"	130.0574995	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H+NH4"	19.041099
"405519"	505.137018	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+Na"	22.989218
"766523"	746.210918	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+Na"	22.989218
"1615711"	264.063118	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Na"	22.989218
"324658"	253.072147	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+H+Na"	23.996494
"719264"	373.609097	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+H+Na"	23.996494
"1473085"	132.535197	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H+Na"	23.996494
"1066324"	88.6925566666667	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2H+Na"	25.00377
"1266910"	274.107386	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+CH3OH+H"	33.033486
"385482"	521.110958	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+K"	38.963158
"741011"	762.184858	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+K"	38.963158
"1541969"	280.037058	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+K"	38.963158
"304614"	261.059117	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+H+K"	39.970434
"702508"	381.596067	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+H+K"	39.970434
"1456332"	140.522167	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H+K"	39.970434
"247117"	524.181626	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+ACN+H"	42.033826
"1218732"	283.107726	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+ACN+H"	42.033826
"1202614"	142.057501	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+ACN+2H"	43.041102
"198763"	527.11896	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+2Na-H"	44.97116
"632854"	768.19286	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+2Na-H"	44.97116
"1136361"	286.04506	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2Na-H"	44.97116
"176370"	264.063118	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+2Na"	45.978436
"617023"	384.600068	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+2Na"	45.978436
"1120530"	143.526168	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2Na"	45.978436
"1405148"	96.0198706666667	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H+2Na"	46.985712
"1442732"	288.086646	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H+HCOOH"	47.012746
"228053"	269.09614	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+3H2O+2H"	56.04448
"1513927"	302.13869	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+IsoProp+H"	61.06479
"417991"	272.050088	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+Na+K"	61.952376
"775712"	392.587038	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+Na+K"	61.952376
"1673137"	151.513138	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Na+K"	61.952376
"255283"	546.163568	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+ACN+Na"	64.015768
"1228350"	305.089668	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+ACN+Na"	64.015768
"1714686"	305.113193	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+NH4+HCOOH"	64.039293
"1183325"	103.347184666667	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+3Na"	68.967654
"1651394"	310.068588	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Na+HCOOH"	68.994688
"158378"	559.06684	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+2K-H"	76.91904
"606202"	800.14074	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+2K-H"	76.91904
"1089622"	317.99294	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2K-H"	76.91904
"149719"	280.037058	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"2M+2K"	77.926316
"593657"	400.574008	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"3M+2K"	77.926316
"1078170"	159.500108	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2K"	77.926316
"1113566"	320.007492	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2K+H"	78.933592
"1341203"	320.095107	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+DMSO+H"	79.021207
"1018486"	324.134276	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2ACN+H"	83.060376
"1535521"	325.127908	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+IsoProp+Na+H"	84.054008
"1004516"	162.570776	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+2ACN+2H"	84.067652
"1593185"	326.042528	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+K+HCOOH"	84.968628
"1425408"	356.074038	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+H+CF3COOH"	115.000138
"1155696"	183.084051	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+3ACN+2H"	125.094202
"1709260"	373.100585	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+NH4+CF3COOH"	132.026685
"1644180"	378.05598	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+Na+CF3COOH"	136.98208
"1585299"	394.02992	"C15268"	"trans-2-(4-Nitrophenyl)-3-phenyloxirane;trans- alphaalpha-Epoxy-4-nitrobibenzyl;trans-4-Nitrostilbene oxide"	"C14H11NO3"	"241.0739"	"M+K+CF3COOH"	152.95602
"809104"	436.2261	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M"	0
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"546362"	671.320213	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M-H+Cl"	33.962126
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"275152"	907.421602	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+Cl"	34.969402
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"348993"	931.466051	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+Hac-H"	59.013851
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"793895"	1326.712123	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+NH4"	18.033823
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"339605"	445.7466495	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+H+NH4"	19.041099
"734217"	663.8596995	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+H+NH4"	19.041099
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"1476642"	230.111297	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+H+Na"	23.996494
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"749869"	1347.641458	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+K"	38.963158
"1548641"	475.189258	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+K"	38.963158
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"705168"	674.324367	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+H+K"	39.970434
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"247957"	914.486026	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+ACN+H"	42.033826
"1221394"	478.259926	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+ACN+H"	42.033826
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"638433"	1353.64946	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+2Na-H"	44.97116
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"176480"	459.215318	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+2Na"	45.978436
"617133"	677.328368	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+2Na"	45.978436
"1120640"	241.102268	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+2Na"	45.978436
"1405258"	161.070604	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+H+2Na"	46.985712
"1441748"	483.238846	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+H+HCOOH"	47.012746
"228163"	464.24834	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+3H2O+2H"	56.04448
"1514037"	497.29089	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+IsoProp+H"	61.06479
"418101"	467.202288	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+Na+K"	61.952376
"778006"	685.315338	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+Na+K"	61.952376
"1672153"	249.089238	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+Na+K"	61.952376
"257579"	936.467968	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+ACN+Na"	64.015768
"1228828"	500.241868	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+ACN+Na"	64.015768
"1714797"	500.265393	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+NH4+HCOOH"	64.039293
"1180882"	168.397918	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+3Na"	68.967654
"1651866"	505.220788	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+Na+HCOOH"	68.994688
"158122"	949.37124	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+2K-H"	76.91904
"603032"	1385.59734	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+2K-H"	76.91904
"1086452"	513.14514	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+2K-H"	76.91904
"149829"	475.189258	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"2M+2K"	77.926316
"590486"	693.302308	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"3M+2K"	77.926316
"1073902"	257.076208	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+2K"	77.926316
"1103832"	515.159692	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+2K+H"	78.933592
"1341313"	515.247307	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+DMSO+H"	79.021207
"1019688"	519.286476	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+2ACN+H"	83.060376
"1530157"	520.280108	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+IsoProp+Na+H"	84.054008
"1004262"	260.146876	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+2ACN+2H"	84.067652
"1593294"	521.194728	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+K+HCOOH"	84.968628
"1428434"	551.226238	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+H+CF3COOH"	115.000138
"1155806"	280.660151	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+3ACN+2H"	125.094202
"1709370"	568.252785	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+NH4+CF3COOH"	132.026685
"1642104"	573.20818	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+Na+CF3COOH"	136.98208
"1585409"	589.18212	"C15269"	"9-Fluoro-11beta1721-trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;9-Fluoro-2alpha-methylcortisol 21-acetate"	"C24H33FO6"	"436.2261"	"M+K+CF3COOH"	152.95602
"801693"	287.0705	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M"	0
"974716"	268.05211	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-H2O-H"	-19.01839
"66616"	190.373057333333	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M-3H"	-3.021828
"514931"	286.063224	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M-3H"	-3.021828
"889448"	94.6828906666667	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-3H"	-3.021828
"12042"	286.063224	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M-2H"	-2.014552
"449779"	429.598474	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M-2H"	-2.014552
"827580"	142.527974	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-2H"	-2.014552
"90122"	573.133724	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M-H"	-1.007276
"529687"	860.204224	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M-H"	-1.007276
"903842"	286.063224	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-H"	-1.007276
"56759"	590.160271	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M-2H+NH4"	16.019271
"494497"	877.230771	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M-2H+NH4"	16.019271
"874485"	303.089771	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-2H+NH4"	16.019271
"41293"	595.115666	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M-2H+Na"	20.974666
"481581"	882.186166	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M-2H+Na"	20.974666
"852092"	308.045166	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-2H+Na"	20.974666
"1628189"	308.045166	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Na-2H"	20.974666
"108368"	304.051563	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M-H+Cl"	33.962126
"546107"	447.586813	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M-H+Cl"	33.962126
"939260"	160.516313	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-H+Cl"	33.962126
"278177"	609.110402	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+Cl"	34.969402
"669874"	896.180902	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+Cl"	34.969402
"1281181"	322.039902	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Cl"	34.969402
"30836"	611.089606	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M-2H+K"	36.948606
"469865"	898.160106	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M-2H+K"	36.948606
"847303"	324.019106	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-2H+K"	36.948606
"1566779"	324.019106	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+K-2H"	36.948606
"950287"	332.068694	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-H+HCOOH"	44.998194
"370690"	619.139201	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+HCOOH-H"	44.998201
"350199"	633.154851	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+Hac-H"	59.013851
"1496841"	346.084351	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Hac-H"	59.013851
"961830"	354.050651	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-H+NaCOOH"	66.980151
"114747"	322.039902	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+2Cl"	69.938804
"556132"	465.575152	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+2Cl"	69.938804
"1027120"	178.504652	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2Cl"	69.938804
"1248156"	365.989385	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Br"	78.918885
"1312431"	368.045372	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Cl+HCOOH"	80.974872
"1331016"	390.027329	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Cl+NaCOOH"	102.956829
"924265"	400.056086	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M-H+CF3COOH"	112.985586
"1299877"	436.032764	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Cl+CF3COOH"	148.962264
"1379137"	252.057824	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H-2H2O"	-35.012676
"1392259"	270.0678	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H-H2O"	-17.0027
"291946"	575.148276	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+H"	1.007276
"679627"	862.218776	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+H"	1.007276
"1357436"	288.077776	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H"	1.007276
"128499"	288.077776	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+2H"	2.014552
"574259"	431.613026	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+2H"	2.014552
"1040870"	144.542526	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2H"	2.014552
"205854"	192.387609333333	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+3H"	3.021828
"646506"	288.077776	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+3H"	3.021828
"1166452"	96.6974426666667	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+3H"	3.021828
"428635"	592.174823	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+NH4"	18.033823
"792912"	879.245323	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+NH4"	18.033823
"1683775"	305.104323	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+NH4"	18.033823
"339715"	296.5910495	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+H+NH4"	19.041099
"733234"	440.1262995	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+H+NH4"	19.041099
"1491065"	153.0557995	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H+NH4"	19.041099
"407683"	597.130218	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+Na"	22.989218
"767466"	884.200718	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+Na"	22.989218
"1616302"	310.059718	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Na"	22.989218
"328765"	299.068747	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+H+Na"	23.996494
"720218"	442.603997	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+H+Na"	23.996494
"1475739"	155.533497	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H+Na"	23.996494
"1066424"	104.024756666667	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2H+Na"	25.00377
"1268954"	320.103986	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+CH3OH+H"	33.033486
"386797"	613.104158	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+K"	38.963158
"748886"	900.174658	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+K"	38.963158
"1548751"	326.033658	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+K"	38.963158
"307022"	307.055717	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+H+K"	39.970434
"703820"	450.590967	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+H+K"	39.970434
"1459836"	163.520467	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H+K"	39.970434
"248436"	616.174826	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+ACN+H"	42.033826
"1219682"	329.104326	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+ACN+H"	42.033826
"1205387"	165.055801	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+ACN+2H"	43.041102
"201174"	619.11216	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+2Na-H"	44.97116
"640734"	906.18266	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+2Na-H"	44.97116
"1138768"	332.04166	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2Na-H"	44.97116
"180965"	310.059718	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+2Na"	45.978436
"619431"	453.594968	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+2Na"	45.978436
"1120750"	166.524468	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2Na"	45.978436
"1405368"	111.352070666667	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H+2Na"	46.985712
"1436389"	334.083246	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H+HCOOH"	47.012746
"226083"	315.09274	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+3H2O+2H"	56.04448
"1514144"	348.13529	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+IsoProp+H"	61.06479
"410554"	318.046688	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+Na+K"	61.952376
"775923"	461.581938	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+Na+K"	61.952376
"1672983"	174.511438	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Na+K"	61.952376
"253314"	638.156768	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+ACN+Na"	64.015768
"1226751"	351.086268	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+ACN+Na"	64.015768
"1714178"	351.109793	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+NH4+HCOOH"	64.039293
"1180262"	118.679384666667	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+3Na"	68.967654
"1651611"	356.065188	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Na+HCOOH"	68.994688
"159200"	651.06004	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+2K-H"	76.91904
"603142"	938.13054	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+2K-H"	76.91904
"1086562"	363.98954	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2K-H"	76.91904
"149939"	326.033658	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"2M+2K"	77.926316
"588409"	469.568908	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"3M+2K"	77.926316
"1070732"	182.498408	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2K"	77.926316
"1101023"	366.004092	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2K+H"	78.933592
"1342516"	366.091707	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+DMSO+H"	79.021207
"1007036"	370.130876	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2ACN+H"	83.060376
"1530267"	371.124508	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+IsoProp+Na+H"	84.054008
"1002185"	185.569076	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+2ACN+2H"	84.067652
"1590125"	372.039128	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+K+HCOOH"	84.968628
"1423442"	402.070638	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+H+CF3COOH"	115.000138
"1155916"	206.082351	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+3ACN+2H"	125.094202
"1710573"	419.097185	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+NH4+CF3COOH"	132.026685
"1643307"	424.05258	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+Na+CF3COOH"	136.98208
"1585519"	440.02652	"C15270"	"Cycloguanil hydrochloride;1-(4-Chlorophenyl)-16-dihydro-66-dimethyl-135-triazine-24-diamine monohydrochloride"	"C11H14ClN5HCl"	"287.0705"	"M+K+CF3COOH"	152.95602
"803126"	360.2101	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M"	0
"974711"	341.19171	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-H2O-H"	-19.01839
"63557"	239.132790666667	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M-3H"	-3.021828
"512853"	359.202824	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M-3H"	-3.021828
"888464"	119.062757333333	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-3H"	-3.021828
"12515"	359.202824	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M-2H"	-2.014552
"450983"	539.307874	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M-2H"	-2.014552
"828418"	179.097774	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-2H"	-2.014552
"91689"	719.412924	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M-H"	-1.007276
"530893"	1079.623024	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M-H"	-1.007276
"907965"	359.202824	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-H"	-1.007276
"59057"	736.439471	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M-2H+NH4"	16.019271
"494606"	1096.649571	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M-2H+NH4"	16.019271
"876055"	376.229371	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-2H+NH4"	16.019271
"42861"	741.394866	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M-2H+Na"	20.974666
"479868"	1101.604966	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M-2H+Na"	20.974666
"854388"	381.184766	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-2H+Na"	20.974666
"1622828"	381.184766	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Na-2H"	20.974666
"109206"	377.191163	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M-H+Cl"	33.962126
"548161"	557.296213	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M-H+Cl"	33.962126
"941314"	197.086113	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-H+Cl"	33.962126
"275735"	755.389602	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+Cl"	34.969402
"673263"	1115.599702	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+Cl"	34.969402
"1282384"	395.179502	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Cl"	34.969402
"30661"	757.368806	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M-2H+K"	36.948606
"468881"	1117.578906	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M-2H+K"	36.948606
"845590"	397.158706	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-2H+K"	36.948606
"1567618"	397.158706	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+K-2H"	36.948606
"950399"	405.208294	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-H+HCOOH"	44.998194
"371894"	765.418401	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+HCOOH-H"	44.998201
"352496"	779.434051	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+Hac-H"	59.013851
"1497681"	419.223951	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Hac-H"	59.013851
"962308"	427.190251	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-H+NaCOOH"	66.980151
"116683"	395.179502	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+2Cl"	69.938804
"557699"	575.284552	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+2Cl"	69.938804
"1032698"	215.074452	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2Cl"	69.938804
"1252278"	439.128985	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Br"	78.918885
"1315820"	441.184972	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Cl+HCOOH"	80.974872
"1328210"	463.166929	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Cl+NaCOOH"	102.956829
"922189"	473.195686	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M-H+CF3COOH"	112.985586
"1297800"	509.172364	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Cl+CF3COOH"	148.962264
"1380342"	325.197424	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H-2H2O"	-35.012676
"1392369"	343.2074	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H-H2O"	-17.0027
"294244"	721.427476	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+H"	1.007276
"687757"	1081.637576	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+H"	1.007276
"1358639"	361.217376	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H"	1.007276
"127881"	361.217376	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+2H"	2.014552
"573276"	541.322426	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+2H"	2.014552
"1041344"	181.112326	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2H"	2.014552
"207422"	241.147342666667	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+3H"	3.021828
"644427"	361.217376	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+3H"	3.021828
"1163524"	121.077309333333	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+3H"	3.021828
"428745"	738.454023	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+NH4"	18.033823
"794115"	1098.664123	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+NH4"	18.033823
"1683885"	378.243923	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+NH4"	18.033823
"337639"	369.7306495	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+H+NH4"	19.041099
"733345"	549.8356995	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+H+NH4"	19.041099
"1490081"	189.6255995	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H+NH4"	19.041099
"405844"	743.409418	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+Na"	22.989218
"767939"	1103.619518	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+Na"	22.989218
"1617137"	383.199318	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Na"	22.989218
"328874"	372.208347	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+H+Na"	23.996494
"722150"	552.313397	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+H+Na"	23.996494
"1476578"	192.103297	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H+Na"	23.996494
"1067141"	128.404623333333	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2H+Na"	25.00377
"1268333"	393.243586	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+CH3OH+H"	33.033486
"389096"	759.383358	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+K"	38.963158
"750090"	1119.593458	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+K"	38.963158
"1545582"	399.173258	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+K"	38.963158
"308228"	380.195317	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+H+K"	39.970434
"705394"	560.300367	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+H+K"	39.970434
"1459582"	200.090267	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H+K"	39.970434
"248545"	762.454026	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+ACN+H"	42.033826
"1224170"	402.243926	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+ACN+H"	42.033826
"1207687"	201.625601	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+ACN+2H"	43.041102
"201287"	765.39136	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+2Na-H"	44.97116
"640845"	1125.60146	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+2Na-H"	44.97116
"1144351"	405.18126	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2Na-H"	44.97116
"183992"	383.199318	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+2Na"	45.978436
"618448"	563.304368	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+2Na"	45.978436
"1127423"	203.094268	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2Na"	45.978436
"1410218"	135.731937333333	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H+2Na"	46.985712
"1440875"	407.222846	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H+HCOOH"	47.012746
"229476"	388.23234	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+3H2O+2H"	56.04448
"1514257"	421.27489	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+IsoProp+H"	61.06479
"415038"	391.186288	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+Na+K"	61.952376
"777127"	571.291338	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+Na+K"	61.952376
"1674550"	211.081238	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Na+K"	61.952376
"255611"	784.435968	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+ACN+Na"	64.015768
"1227590"	424.225868	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+ACN+Na"	64.015768
"1714412"	424.249393	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+NH4+HCOOH"	64.039293
"1180372"	143.059251333333	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+3Na"	68.967654
"1652084"	429.204788	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Na+HCOOH"	68.994688
"158946"	797.33924	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+2K-H"	76.91904
"603252"	1157.54934	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+2K-H"	76.91904
"1087765"	437.12914	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2K-H"	76.91904
"150049"	399.173258	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"2M+2K"	77.926316
"590705"	579.278308	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"3M+2K"	77.926316
"1071936"	219.068208	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2K"	77.926316
"1102590"	439.143692	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2K+H"	78.933592
"1337638"	439.231307	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+DMSO+H"	79.021207
"1008968"	443.270476	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2ACN+H"	83.060376
"1533656"	444.264108	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+IsoProp+Na+H"	84.054008
"996824"	222.138876	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+2ACN+2H"	84.067652
"1592421"	445.178728	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+K+HCOOH"	84.968628
"1425738"	475.210238	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+H+CF3COOH"	115.000138
"1158212"	242.652151	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+3ACN+2H"	125.094202
"1709956"	492.236785	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+NH4+CF3COOH"	132.026685
"1646697"	497.19218	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+Na+CF3COOH"	136.98208
"1585629"	513.16612	"C15271"	"9-Fluoro-2alpha-methylpregn-4-ene-31120-trione;9-Fluoro-2alpha-methyl-11-oxoprogesterone"	"C22H29FO3"	"360.2101"	"M+K+CF3COOH"	152.95602
"802994"	418.2719	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M"	0
"974220"	399.25351	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-H2O-H"	-19.01839
"62973"	277.840657333333	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M-3H"	-3.021828
"505669"	417.264624	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M-3H"	-3.021828
"886388"	138.416690666667	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-3H"	-3.021828
"3868"	417.264624	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M-2H"	-2.014552
"454374"	626.400574	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M-2H"	-2.014552
"830714"	208.128674	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-2H"	-2.014552
"91069"	835.536524	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M-H"	-1.007276
"533801"	1253.808424	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M-H"	-1.007276
"909531"	417.264624	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-H"	-1.007276
"61356"	852.563071	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M-2H+NH4"	16.019271
"501037"	1270.834971	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M-2H+NH4"	16.019271
"876893"	434.291171	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-2H+NH4"	16.019271
"42606"	857.518466	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M-2H+Na"	20.974666
"479978"	1275.790366	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M-2H+Na"	20.974666
"852311"	439.246566	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-2H+Na"	20.974666
"1620264"	439.246566	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Na-2H"	20.974666
"103847"	435.252963	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M-H+Cl"	33.962126
"548392"	644.388913	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M-H+Cl"	33.962126
"942153"	226.117013	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-H+Cl"	33.962126
"275845"	871.513202	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+Cl"	34.969402
"673373"	1289.785102	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+Cl"	34.969402
"1282494"	453.241302	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Cl"	34.969402
"29678"	873.492406	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M-2H+K"	36.948606
"469721"	1291.764306	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M-2H+K"	36.948606
"845699"	455.220506	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-2H+K"	36.948606
"1567000"	455.220506	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+K-2H"	36.948606
"949415"	463.270094	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-H+HCOOH"	44.998194
"371276"	881.542001	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+HCOOH-H"	44.998201
"353700"	895.557651	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+Hac-H"	59.013851
"1497065"	477.285751	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Hac-H"	59.013851
"967887"	485.252051	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-H+NaCOOH"	66.980151
"117887"	453.241302	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+2Cl"	69.938804
"557445"	662.377252	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+2Cl"	69.938804
"1032810"	244.105352	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2Cl"	69.938804
"1253481"	497.190785	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Br"	78.918885
"1315927"	499.246772	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Cl+HCOOH"	80.974872
"1325038"	521.228729	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Cl+NaCOOH"	102.956829
"919015"	531.257486	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M-H+CF3COOH"	112.985586
"1292443"	567.234164	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Cl+CF3COOH"	148.962264
"1377171"	383.259224	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H-2H2O"	-35.012676
"1392478"	401.2692	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H-H2O"	-17.0027
"292168"	837.551076	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+H"	1.007276
"686774"	1255.822976	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+H"	1.007276
"1358749"	419.279176	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H"	1.007276
"127263"	419.279176	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+2H"	2.014552
"575572"	628.415126	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+2H"	2.014552
"1039267"	210.143226	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2H"	2.014552
"206804"	279.855209333333	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+3H"	3.021828
"645634"	419.279176	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+3H"	3.021828
"1162778"	140.431242666667	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+3H"	3.021828
"424723"	854.577623	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+NH4"	18.033823
"790945"	1272.849523	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+NH4"	18.033823
"1682901"	436.305723	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+NH4"	18.033823
"333006"	427.7924495	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+H+NH4"	19.041099
"734914"	636.9283995	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+H+NH4"	19.041099
"1489097"	218.6564995	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H+NH4"	19.041099
"405954"	859.533018	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+Na"	22.989218
"764769"	1277.804918	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+Na"	22.989218
"1616881"	441.261118	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Na"	22.989218
"328499"	430.270147	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+H+Na"	23.996494
"722012"	639.406097	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+H+Na"	23.996494
"1473521"	221.134197	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H+Na"	23.996494
"1067130"	147.758556666667	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2H+Na"	25.00377
"1270268"	451.305386	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+CH3OH+H"	33.033486
"388478"	875.506958	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+K"	38.963158
"750200"	1293.778858	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+K"	38.963158
"1545693"	457.235058	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+K"	38.963158
"309431"	438.257117	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+H+K"	39.970434
"706114"	647.393067	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+H+K"	39.970434
"1459692"	229.121167	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H+K"	39.970434
"249026"	878.577626	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+ACN+H"	42.033826
"1223676"	460.305726	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+ACN+H"	42.033826
"1208525"	230.656501	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+ACN+2H"	43.041102
"203707"	881.51496	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+2Na-H"	44.97116
"641683"	1299.78686	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+2Na-H"	44.97116
"1145554"	463.24306	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2Na-H"	44.97116
"184466"	441.261118	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+2Na"	45.978436
"621839"	650.397068	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+2Na"	45.978436
"1127169"	232.125168	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2Na"	45.978436
"1412515"	155.085870666667	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H+2Na"	46.985712
"1440257"	465.284646	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H+HCOOH"	47.012746
"229586"	446.29414	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+3H2O+2H"	56.04448
"1511451"	479.33669	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+IsoProp+H"	61.06479
"417336"	449.248088	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+Na+K"	61.952376
"773956"	658.384038	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+Na+K"	61.952376
"1673567"	240.112138	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Na+K"	61.952376
"253533"	900.559568	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+ACN+Na"	64.015768
"1226605"	482.287668	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+ACN+Na"	64.015768
"1716223"	482.311193	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+NH4+HCOOH"	64.039293
"1181577"	162.413184666667	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+3Na"	68.967654
"1652198"	487.266588	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Na+HCOOH"	68.994688
"160149"	913.46284	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+2K-H"	76.91904
"603362"	1331.73474	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+2K-H"	76.91904
"1098694"	495.19094	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2K-H"	76.91904
"153441"	457.235058	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"2M+2K"	77.926316
"593002"	666.371008	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"3M+2K"	77.926316
"1070587"	248.099108	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2K"	77.926316
"1101487"	497.205492	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2K+H"	78.933592
"1338354"	497.293107	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+DMSO+H"	79.021207
"1007255"	501.332276	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2ACN+H"	83.060376
"1525137"	502.325908	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+IsoProp+Na+H"	84.054008
"995841"	251.169776	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+2ACN+2H"	84.067652
"1591438"	503.240528	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+K+HCOOH"	84.968628
"1425848"	533.272038	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+H+CF3COOH"	115.000138
"1157229"	271.683051	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+3ACN+2H"	125.094202
"1712131"	550.298585	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+NH4+CF3COOH"	132.026685
"1646807"	555.25398	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+Na+CF3COOH"	136.98208
"1585739"	571.22792	"C15272"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one diacetate"	"C25H38O5"	"418.2719"	"M+K+CF3COOH"	152.95602
"801889"	344.2351	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M"	0
"974437"	325.21671	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"63124"	228.482790666667	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"505779"	343.227824	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"886498"	113.737757333333	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"3978"	343.227824	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"440258"	515.345374	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"829001"	171.110274	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"88992"	687.462924	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"533992"	1031.698024	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"910739"	343.227824	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"62075"	704.489471	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"499201"	1048.724571	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"879190"	360.254371	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"43809"	709.444866	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"480088"	1053.679966	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"852421"	365.209766	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1623048"	365.209766	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"105050"	361.216163	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"548381"	533.333713	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"942711"	189.098613	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"277777"	723.439602	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"673482"	1067.674702	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1282604"	379.204502	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"30763"	725.418806	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"471171"	1069.653906	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"845810"	381.183706	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1559457"	381.183706	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"957547"	389.233294	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"376841"	733.468401	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"360373"	747.484051	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1501185"	403.248951	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"967269"	411.215251	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"119820"	379.204502	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"558648"	551.322052	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1032555"	207.086952	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1255293"	423.153985	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1316766"	425.209972	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1324784"	447.191929	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"919125"	457.220686	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1292552"	493.197364	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1380197"	309.222424	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1391495"	327.2324	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"294464"	689.477476	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"687977"	1033.712576	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1358859"	345.242376	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"127373"	345.242376	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"574589"	517.359926	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1040106"	173.124826	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"206914"	230.497342666667	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"645380"	345.242376	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1164595"	115.752309333333	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"424954"	706.504023	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"785699"	1050.739123	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1681915"	362.268923	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"330680"	353.7556495	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"729177"	525.8731995	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1479724"	181.6380995	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"404970"	711.459418	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"768157"	1055.694518	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1618084"	367.224318	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"328486"	356.233347	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"721634"	528.350897	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1473630"	184.115797	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1063591"	123.079623333333	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1270378"	377.268586	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"389317"	727.433358	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"750310"	1071.668458	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1545803"	383.198258	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"310634"	364.220317	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"707015"	536.337867	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1460857"	192.102767	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"250591"	730.504026	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1225286"	386.268926	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1208271"	193.638101	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"203210"	733.44136	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"641430"	1077.67646	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1143475"	389.20626	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"183484"	367.224318	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"620854"	539.341868	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1122174"	195.106768	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1410802"	130.406937333333	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1440730"	391.247846	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"229696"	372.25734	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1510104"	405.29989	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"417446"	375.211288	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"772973"	547.328838	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1671490"	203.093738	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"254008"	752.485968	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1228539"	408.250868	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1715239"	408.274393	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1180594"	137.734251333333	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1651943"	413.229788	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"159534"	765.38924	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"603472"	1109.62434	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1099289"	421.15414	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"153551"	383.198258	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"590926"	555.315808	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1069601"	211.080708	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1101111"	423.168692	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1337370"	423.256307	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1007000"	427.295476	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1525000"	428.289108	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"992669"	214.151376	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1591548"	429.203728	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1427051"	459.235238	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1158432"	234.664651	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1712567"	476.261785	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1648010"	481.21718	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1582569"	497.19112	"C15273"	"17beta-Hydroxy-5alpha-androst-1-en-3-one propionate"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"801681"	442.3811	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M"	0
"974588"	423.36271	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-H2O-H"	-19.01839
"63278"	293.913457333333	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M-3H"	-3.021828
"505525"	441.373824	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M-3H"	-3.021828
"880326"	146.453090666667	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-3H"	-3.021828
"147"	441.373824	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M-2H"	-2.014552
"440489"	662.564374	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M-2H"	-2.014552
"829111"	220.183274	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-2H"	-2.014552
"88009"	883.754924	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M-H"	-1.007276
"534206"	1326.136024	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M-H"	-1.007276
"911092"	441.373824	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-H"	-1.007276
"61578"	900.781471	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M-2H+NH4"	16.019271
"499311"	1343.162571	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M-2H+NH4"	16.019271
"878330"	458.400371	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-2H+NH4"	16.019271
"43919"	905.736866	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M-2H+Na"	20.974666
"480198"	1348.117966	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M-2H+Na"	20.974666
"850344"	463.355766	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-2H+Na"	20.974666
"1623158"	463.355766	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Na-2H"	20.974666
"104067"	459.362163	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M-H+Cl"	33.962126
"546910"	680.552713	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M-H+Cl"	33.962126
"941521"	238.171613	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-H+Cl"	33.962126
"277887"	919.731602	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+Cl"	34.969402
"674443"	1362.112702	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+Cl"	34.969402
"1283807"	477.350502	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Cl"	34.969402
"30508"	921.710806	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M-2H+K"	36.948606
"471339"	1364.091906	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M-2H+K"	36.948606
"844827"	479.329706	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-2H+K"	36.948606
"1562847"	479.329706	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+K-2H"	36.948606
"958265"	487.379294	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-H+HCOOH"	44.998194
"376809"	929.760401	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+HCOOH-H"	44.998201
"360847"	943.776051	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+Hac-H"	59.013851
"1503482"	501.394951	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Hac-H"	59.013851
"965920"	509.361251	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-H+NaCOOH"	66.980151
"118106"	477.350502	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+2Cl"	69.938804
"557665"	698.541052	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+2Cl"	69.938804
"1031936"	256.159952	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2Cl"	69.938804
"1254430"	521.299985	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Br"	78.918885
"1315054"	523.355972	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Cl+HCOOH"	80.974872
"1329268"	545.337929	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Cl+NaCOOH"	102.956829
"917049"	555.366686	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M-H+CF3COOH"	112.985586
"1291933"	591.343364	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Cl+CF3COOH"	148.962264
"1379214"	407.368424	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H-2H2O"	-35.012676
"1396343"	425.3784	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H-H2O"	-17.0027
"291291"	885.769476	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+H"	1.007276
"684807"	1328.150576	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+H"	1.007276
"1358969"	443.388376	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H"	1.007276
"128576"	443.388376	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+2H"	2.014552
"574699"	664.578926	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+2H"	2.014552
"1039122"	222.197826	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2H"	2.014552
"207024"	295.928009333333	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+3H"	3.021828
"645001"	443.388376	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+3H"	3.021828
"1166890"	148.467642666667	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+3H"	3.021828
"425185"	902.796023	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+NH4"	18.033823
"785742"	1345.177123	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+NH4"	18.033823
"1681700"	460.414923	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+NH4"	18.033823
"330669"	451.9016495	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+H+NH4"	19.041099
"728194"	673.0921995	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+H+NH4"	19.041099
"1479834"	230.7110995	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H+NH4"	19.041099
"405080"	907.751418	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+Na"	22.989218
"766079"	1350.132518	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+Na"	22.989218
"1613088"	465.370318	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Na"	22.989218
"327868"	454.379347	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+H+Na"	23.996494
"719921"	675.569897	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+H+Na"	23.996494
"1474833"	233.188797	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H+Na"	23.996494
"1065888"	155.794956666667	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2H+Na"	25.00377
"1270487"	475.414586	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+CH3OH+H"	33.033486
"390519"	923.725358	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+K"	38.963158
"749327"	1366.106458	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+K"	38.963158
"1545913"	481.344258	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+K"	38.963158
"309651"	462.366317	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+H+K"	39.970434
"707051"	683.556867	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+H+K"	39.970434
"1461113"	241.175767	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H+K"	39.970434
"251066"	926.796026	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+ACN+H"	42.033826
"1225352"	484.414926	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+ACN+H"	42.033826
"1208017"	242.711101	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+ACN+2H"	43.041102
"203443"	929.73336	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+2Na-H"	44.97116
"642267"	1372.11446	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+2Na-H"	44.97116
"1143949"	487.35226	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2Na-H"	44.97116
"181406"	465.370318	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+2Na"	45.978436
"616591"	686.560868	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+2Na"	45.978436
"1121191"	244.179768	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2Na"	45.978436
"1409089"	163.122270666667	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H+2Na"	46.985712
"1435737"	489.393846	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H+HCOOH"	47.012746
"223246"	470.40334	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+3H2O+2H"	56.04448
"1508455"	503.44589	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+IsoProp+H"	61.06479
"417556"	473.357288	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+Na+K"	61.952376
"770118"	694.547838	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+Na+K"	61.952376
"1670507"	252.166738	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Na+K"	61.952376
"252415"	948.777968	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+ACN+Na"	64.015768
"1227556"	506.396868	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+ACN+Na"	64.015768
"1715349"	506.420393	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+NH4+HCOOH"	64.039293
"1179042"	170.449584666667	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+3Na"	68.967654
"1651321"	511.375788	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Na+HCOOH"	68.994688
"158184"	961.68124	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+2K-H"	76.91904
"603582"	1404.06234	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+2K-H"	76.91904
"1097817"	519.30014	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2K-H"	76.91904
"152568"	481.344258	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"2M+2K"	77.926316
"589943"	702.534808	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"3M+2K"	77.926316
"1068861"	260.153708	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2K"	77.926316
"1100735"	521.314692	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2K+H"	78.933592
"1337113"	521.402307	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+DMSO+H"	79.021207
"1005847"	525.441476	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2ACN+H"	83.060376
"1524422"	526.435108	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+IsoProp+Na+H"	84.054008
"990957"	263.224376	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+2ACN+2H"	84.067652
"1591658"	527.349728	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+K+HCOOH"	84.968628
"1423879"	557.381238	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+H+CF3COOH"	115.000138
"1158542"	283.737651	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+3ACN+2H"	125.094202
"1711015"	574.407785	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+NH4+CF3COOH"	132.026685
"1647027"	579.36318	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+Na+CF3COOH"	136.98208
"1582679"	595.33712	"C15274"	"Allobetulin;Allobetulinol;19beta28-Epoxy-18alpha-oleanan-3beta-ol"	"C30H50O2"	"442.3811"	"M+K+CF3COOH"	152.95602
"803203"	418.2355	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M"	0
"975153"	399.21711	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-H2O-H"	-19.01839
"63639"	277.816390666667	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M-3H"	-3.021828
"506729"	417.228224	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M-3H"	-3.021828
"881249"	138.404557333333	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-3H"	-3.021828
"912"	417.228224	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M-2H"	-2.014552
"440270"	626.345974	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M-2H"	-2.014552
"829221"	208.110474	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-2H"	-2.014552
"88119"	835.463724	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M-H"	-1.007276
"532915"	1253.699224	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M-H"	-1.007276
"910758"	417.228224	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-H"	-1.007276
"62422"	852.490271	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M-2H+NH4"	16.019271
"499057"	1270.725771	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M-2H+NH4"	16.019271
"878199"	434.254771	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-2H+NH4"	16.019271
"44029"	857.445666	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M-2H+Na"	20.974666
"480308"	1275.681166	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M-2H+Na"	20.974666
"850454"	439.210166	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-2H+Na"	20.974666
"1623268"	439.210166	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Na-2H"	20.974666
"96519"	435.216563	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M-H+Cl"	33.962126
"547750"	644.334313	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M-H+Cl"	33.962126
"940294"	226.098813	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-H+Cl"	33.962126
"275810"	871.440402	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+Cl"	34.969402
"674797"	1289.675902	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+Cl"	34.969402
"1283917"	453.204902	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Cl"	34.969402
"30619"	873.419606	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M-2H+K"	36.948606
"470861"	1291.655106	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M-2H+K"	36.948606
"845304"	455.184106	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-2H+K"	36.948606
"1569521"	455.184106	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+K-2H"	36.948606
"957647"	463.233694	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-H+HCOOH"	44.998194
"376432"	881.469201	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+HCOOH-H"	44.998201
"359500"	895.484851	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+Hac-H"	59.013851
"1502499"	477.249351	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Hac-H"	59.013851
"968946"	485.215651	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-H+NaCOOH"	66.980151
"114937"	453.204902	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+2Cl"	69.938804
"555589"	662.322652	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+2Cl"	69.938804
"1031682"	244.087152	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2Cl"	69.938804
"1251260"	497.154385	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Br"	78.918885
"1314071"	499.210372	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Cl+HCOOH"	80.974872
"1325006"	521.192329	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Cl+NaCOOH"	102.956829
"918252"	531.221086	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M-H+CF3COOH"	112.985586
"1289493"	567.197764	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Cl+CF3COOH"	148.962264
"1380417"	383.222824	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H-2H2O"	-35.012676
"1396817"	401.2328	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H-H2O"	-17.0027
"291401"	837.478276	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+H"	1.007276
"684917"	1255.713776	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+H"	1.007276
"1355799"	419.242776	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H"	1.007276
"127714"	419.242776	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+2H"	2.014552
"573715"	628.360526	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+2H"	2.014552
"1038502"	210.125026	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2H"	2.014552
"208227"	279.830942666667	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+3H"	3.021828
"645842"	419.242776	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+3H"	3.021828
"1165909"	140.419109333333	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+3H"	3.021828
"425902"	854.504823	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+NH4"	18.033823
"791272"	1272.740323	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+NH4"	18.033823
"1686506"	436.269323	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+NH4"	18.033823
"330534"	427.7560495	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+H+NH4"	19.041099
"726118"	636.8737995	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+H+NH4"	19.041099
"1479214"	218.6382995	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H+NH4"	19.041099
"405919"	859.460218	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+Na"	22.989218
"758163"	1277.695718	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+Na"	22.989218
"1612104"	441.224718	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Na"	22.989218
"326881"	430.233747	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+H+Na"	23.996494
"719303"	639.351497	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+H+Na"	23.996494
"1473850"	221.115997	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H+Na"	23.996494
"1065998"	147.746423333333	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2H+Na"	25.00377
"1270961"	451.268986	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+CH3OH+H"	33.033486
"390629"	875.434158	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+K"	38.963158
"752353"	1293.669658	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+K"	38.963158
"1546023"	457.198658	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+K"	38.963158
"311947"	438.220717	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+H+K"	39.970434
"704371"	647.338467	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+H+K"	39.970434
"1460752"	229.102967	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H+K"	39.970434
"251342"	878.504826	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+ACN+H"	42.033826
"1223879"	460.269326	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+ACN+H"	42.033826
"1208125"	230.638301	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+ACN+2H"	43.041102
"200264"	881.44216	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+2Na-H"	44.97116
"641284"	1299.67766	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+2Na-H"	44.97116
"1142236"	463.20666	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2Na-H"	44.97116
"182975"	441.224718	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+2Na"	45.978436
"617795"	650.342468	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+2Na"	45.978436
"1121301"	232.106968	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2Na"	45.978436
"1405919"	155.073737333333	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H+2Na"	46.985712
"1435847"	465.248246	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H+HCOOH"	47.012746
"223356"	446.25774	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+3H2O+2H"	56.04448
"1508572"	479.30029	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+IsoProp+H"	61.06479
"414387"	449.211688	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+Na+K"	61.952376
"770110"	658.329438	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+Na+K"	61.952376
"1668431"	240.093938	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Na+K"	61.952376
"253498"	900.486768	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+ACN+Na"	64.015768
"1228759"	482.251268	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+ACN+Na"	64.015768
"1716552"	482.274793	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+NH4+HCOOH"	64.039293
"1181543"	162.401051333333	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+3Na"	68.967654
"1652893"	487.230188	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Na+HCOOH"	68.994688
"160849"	913.39004	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+2K-H"	76.91904
"605878"	1331.62554	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+2K-H"	76.91904
"1091486"	495.15454	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2K-H"	76.91904
"148303"	457.198658	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"2M+2K"	77.926316
"592239"	666.316408	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"3M+2K"	77.926316
"1069094"	248.080908	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2K"	77.926316
"1100481"	497.169092	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2K+H"	78.933592
"1337226"	497.256707	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+DMSO+H"	79.021207
"1007215"	501.295876	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2ACN+H"	83.060376
"1524977"	502.289508	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+IsoProp+Na+H"	84.054008
"991796"	251.151576	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+2ACN+2H"	84.067652
"1589581"	503.204128	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+K+HCOOH"	84.968628
"1423989"	533.235638	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+H+CF3COOH"	115.000138
"1159745"	271.664851	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+3ACN+2H"	125.094202
"1711125"	550.262185	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+NH4+CF3COOH"	132.026685
"1648230"	555.21758	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+Na+CF3COOH"	136.98208
"1582789"	571.19152	"C15275"	"21-Acetoxy-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;17-Hydroxy-6alpha-methylcorticosterone 21-acetate"	"C24H34O6"	"418.2355"	"M+K+CF3COOH"	152.95602
"801611"	306.1995	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M"	0
"975019"	287.18111	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-H2O-H"	-19.01839
"63502"	203.125724	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M-3H"	-3.021828
"506839"	305.192224	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M-3H"	-3.021828
"882452"	101.059224	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-3H"	-3.021828
"1389"	305.192224	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M-2H"	-2.014552
"440463"	458.291974	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M-2H"	-2.014552
"827141"	152.092474	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-2H"	-2.014552
"88229"	611.391724	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M-H"	-1.007276
"533638"	917.591224	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M-H"	-1.007276
"910827"	305.192224	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-H"	-1.007276
"61433"	628.418271	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M-2H+NH4"	16.019271
"500260"	934.617771	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M-2H+NH4"	16.019271
"878915"	322.218771	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-2H+NH4"	16.019271
"44139"	633.373666	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M-2H+Na"	20.974666
"480418"	939.573166	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M-2H+Na"	20.974666
"850564"	327.174166	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-2H+Na"	20.974666
"1620098"	327.174166	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Na-2H"	20.974666
"101003"	323.180563	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M-H+Cl"	33.962126
"547130"	476.280313	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M-H+Cl"	33.962126
"940646"	170.080813	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-H+Cl"	33.962126
"275920"	647.368402	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+Cl"	34.969402
"674425"	953.567902	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+Cl"	34.969402
"1285120"	341.168902	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Cl"	34.969402
"30726"	649.347606	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M-2H+K"	36.948606
"470648"	955.547106	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M-2H+K"	36.948606
"846141"	343.148106	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-2H+K"	36.948606
"1569264"	343.148106	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+K-2H"	36.948606
"958000"	351.197694	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-H+HCOOH"	44.998194
"376094"	657.397201	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+HCOOH-H"	44.998201
"357787"	671.412851	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+Hac-H"	59.013851
"1504068"	365.213351	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Hac-H"	59.013851
"970515"	373.179651	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-H+NaCOOH"	66.980151
"115047"	341.168902	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+2Cl"	69.938804
"555333"	494.268652	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+2Cl"	69.938804
"1033249"	188.069152	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2Cl"	69.938804
"1253920"	385.118385	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Br"	78.918885
"1310901"	387.174372	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Cl+HCOOH"	80.974872
"1325479"	409.156329	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Cl+NaCOOH"	102.956829
"918362"	419.185086	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M-H+CF3COOH"	112.985586
"1290695"	455.161764	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Cl+CF3COOH"	148.962264
"1379798"	271.186824	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H-2H2O"	-35.012676
"1394011"	289.1968	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H-H2O"	-17.0027
"291511"	613.406276	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+H"	1.007276
"682840"	919.605776	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+H"	1.007276
"1355909"	307.206776	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H"	1.007276
"127703"	307.206776	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+2H"	2.014552
"573825"	460.306526	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+2H"	2.014552
"1038370"	154.107026	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2H"	2.014552
"208337"	205.140276	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+3H"	3.021828
"647897"	307.206776	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+3H"	3.021828
"1166020"	103.073776	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+3H"	3.021828
"428198"	630.432823	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+NH4"	18.033823
"791382"	936.632323	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+NH4"	18.033823
"1687709"	324.233323	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+NH4"	18.033823
"333075"	315.7200495	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+H+NH4"	19.041099
"726228"	468.8197995	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+H+NH4"	19.041099
"1482604"	162.6202995	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H+NH4"	19.041099
"406393"	635.388218	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+Na"	22.989218
"757909"	941.587718	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+Na"	22.989218
"1614400"	329.188718	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Na"	22.989218
"326622"	318.197747	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+H+Na"	23.996494
"719777"	471.297497	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+H+Na"	23.996494
"1475661"	165.097997	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H+Na"	23.996494
"1066108"	110.40109	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2H+Na"	25.00377
"1269978"	339.232986	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+CH3OH+H"	33.033486
"390739"	651.362158	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+K"	38.963158
"752827"	957.561658	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+K"	38.963158
"1546133"	345.162658	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+K"	38.963158
"308778"	326.184717	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+H+K"	39.970434
"704481"	479.284467	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+H+K"	39.970434
"1460499"	173.084967	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H+K"	39.970434
"250797"	654.432826	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+ACN+H"	42.033826
"1223867"	348.233326	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+ACN+H"	42.033826
"1207506"	174.620301	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+ACN+2H"	43.041102
"198551"	657.37016	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+2Na-H"	44.97116
"640664"	963.56966	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+2Na-H"	44.97116
"1143440"	351.17066	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2Na-H"	44.97116
"183813"	329.188718	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+2Na"	45.978436
"617905"	482.288468	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+2Na"	45.978436
"1121411"	176.088968	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2Na"	45.978436
"1404936"	117.728404	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H+2Na"	46.985712
"1435957"	353.212246	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H+HCOOH"	47.012746
"223466"	334.22174	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+3H2O+2H"	56.04448
"1508973"	367.26429	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+IsoProp+H"	61.06479
"414497"	337.175688	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+Na+K"	61.952376
"770020"	490.275438	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+Na+K"	61.952376
"1666108"	184.075938	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Na+K"	61.952376
"253243"	676.414768	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+ACN+Na"	64.015768
"1228866"	370.215268	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+ACN+Na"	64.015768
"1716663"	370.238793	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+NH4+HCOOH"	64.039293
"1180921"	125.055718	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+3Na"	68.967654
"1651910"	375.194188	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Na+HCOOH"	68.994688
"158772"	689.31804	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+2K-H"	76.91904
"603802"	995.51754	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+2K-H"	76.91904
"1091596"	383.11854	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2K-H"	76.91904
"147319"	345.162658	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"2M+2K"	77.926316
"587974"	498.262408	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"3M+2K"	77.926316
"1069204"	192.062908	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2K"	77.926316
"1102416"	385.133092	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2K+H"	78.933592
"1335757"	385.220707	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+DMSO+H"	79.021207
"1005990"	389.259876	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2ACN+H"	83.060376
"1524479"	390.253508	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+IsoProp+Na+H"	84.054008
"990933"	195.133576	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+2ACN+2H"	84.067652
"1587496"	391.168128	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+K+HCOOH"	84.968628
"1424099"	421.199638	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+H+CF3COOH"	115.000138
"1159855"	215.646851	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+3ACN+2H"	125.094202
"1710506"	438.226185	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+NH4+CF3COOH"	132.026685
"1645060"	443.18158	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+Na+CF3COOH"	136.98208
"1582899"	459.15552	"C15276"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one;2alpha-Fluorotestosterone"	"C19H27FO2"	"306.1995"	"M+K+CF3COOH"	152.95602
"801717"	298.1933	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M"	0
"974644"	279.17491	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-H2O-H"	-19.01839
"64100"	197.788257333333	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M-3H"	-3.021828
"504762"	297.186024	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M-3H"	-3.021828
"882562"	98.3904906666667	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-3H"	-3.021828
"2228"	297.186024	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M-2H"	-2.014552
"441545"	446.282674	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M-2H"	-2.014552
"827251"	148.089374	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-2H"	-2.014552
"88339"	595.379324	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M-H"	-1.007276
"531192"	893.572624	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M-H"	-1.007276
"911220"	297.186024	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-H"	-1.007276
"62478"	612.405871	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M-2H+NH4"	16.019271
"500735"	910.599171	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M-2H+NH4"	16.019271
"879784"	314.212571	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-2H+NH4"	16.019271
"43521"	617.361266	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M-2H+Na"	20.974666
"480528"	915.554566	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M-2H+Na"	20.974666
"850064"	319.167966	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-2H+Na"	20.974666
"1620206"	319.167966	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Na-2H"	20.974666
"96739"	315.174363	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M-H+Cl"	33.962126
"546147"	464.271013	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M-H+Cl"	33.962126
"940756"	166.077713	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-H+Cl"	33.962126
"276030"	631.356002	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+Cl"	34.969402
"675423"	929.549302	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+Cl"	34.969402
"1285230"	333.162702	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Cl"	34.969402
"29980"	633.335206	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M-2H+K"	36.948606
"466258"	931.528506	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M-2H+K"	36.948606
"845524"	335.141906	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-2H+K"	36.948606
"1569742"	335.141906	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+K-2H"	36.948606
"957950"	343.191494	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-H+HCOOH"	44.998194
"375839"	641.384801	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+HCOOH-H"	44.998201
"358261"	655.400451	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+Hac-H"	59.013851
"1505271"	357.207151	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Hac-H"	59.013851
"970260"	365.173451	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-H+NaCOOH"	66.980151
"115157"	333.162702	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+2Cl"	69.938804
"553622"	482.259352	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+2Cl"	69.938804
"1031173"	184.066052	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2Cl"	69.938804
"1250751"	377.112185	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Br"	78.918885
"1313200"	379.168172	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Cl+HCOOH"	80.974872
"1328507"	401.150129	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Cl+NaCOOH"	102.956829
"918472"	411.178886	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M-H+CF3COOH"	112.985586
"1291169"	447.155564	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Cl+CF3COOH"	148.962264
"1378816"	263.180624	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H-2H2O"	-35.012676
"1396311"	281.1906	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H-H2O"	-17.0027
"296724"	597.393876	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+H"	1.007276
"681858"	895.587176	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+H"	1.007276
"1357112"	299.200576	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H"	1.007276
"127813"	299.200576	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+2H"	2.014552
"575030"	448.297226	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+2H"	2.014552
"1042734"	150.103926	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2H"	2.014552
"210634"	199.802809333333	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+3H"	3.021828
"646914"	299.200576	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+3H"	3.021828
"1166132"	100.405042666667	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+3H"	3.021828
"429404"	614.420423	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+NH4"	18.033823
"792585"	912.613723	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+NH4"	18.033823
"1685633"	316.227123	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+NH4"	18.033823
"332092"	307.7138495	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+H+NH4"	19.041099
"729620"	456.8104995	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+H+NH4"	19.041099
"1482350"	158.6171995	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H+NH4"	19.041099
"399941"	619.375818	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+Na"	22.989218
"757655"	917.569118	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+Na"	22.989218
"1615243"	321.182518	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Na"	22.989218
"327828"	310.191547	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+H+Na"	23.996494
"719158"	459.288197	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+H+Na"	23.996494
"1475167"	161.094897	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H+Na"	23.996494
"1066219"	107.732356666667	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2H+Na"	25.00377
"1271547"	331.226786	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+CH3OH+H"	33.033486
"390849"	635.349758	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+K"	38.963158
"752573"	933.543058	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+K"	38.963158
"1549523"	337.156458	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+K"	38.963158
"308888"	318.178517	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+H+K"	39.970434
"703863"	467.275167	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+H+K"	39.970434
"1460486"	169.081867	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H+K"	39.970434
"249933"	638.420426	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+ACN+H"	42.033826
"1224098"	340.227126	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+ACN+H"	42.033826
"1207252"	170.617201	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+ACN+2H"	43.041102
"195381"	641.35776	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+2Na-H"	44.97116
"641138"	939.55106	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+2Na-H"	44.97116
"1142820"	343.16446	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2Na-H"	44.97116
"181736"	321.182518	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+2Na"	45.978436
"620202"	470.279168	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+2Na"	45.978436
"1124801"	172.085868	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2Na"	45.978436
"1405046"	115.059670666667	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H+2Na"	46.985712
"1437160"	345.206046	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H+HCOOH"	47.012746
"225764"	326.21554	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+3H2O+2H"	56.04448
"1516012"	359.25809	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+IsoProp+H"	61.06479
"416795"	329.169488	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+Na+K"	61.952376
"773415"	478.266138	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+Na+K"	61.952376
"1668285"	180.072838	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Na+K"	61.952376
"252502"	660.402368	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+ACN+Na"	64.015768
"1228976"	362.209068	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+ACN+Na"	64.015768
"1715315"	362.232593	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+NH4+HCOOH"	64.039293
"1179165"	122.386984666667	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+3Na"	68.967654
"1650439"	367.187988	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Na+HCOOH"	68.994688
"159975"	673.30564	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+2K-H"	76.91904
"603912"	971.49894	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+2K-H"	76.91904
"1091706"	375.11234	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2K-H"	76.91904
"147429"	337.156458	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"2M+2K"	77.926316
"586991"	486.253108	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"3M+2K"	77.926316
"1069191"	188.059808	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2K"	77.926316
"1102526"	377.126892	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2K+H"	78.933592
"1337567"	377.214507	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+DMSO+H"	79.021207
"1007433"	381.253676	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2ACN+H"	83.060376
"1525317"	382.247308	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+IsoProp+Na+H"	84.054008
"991043"	191.130476	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+2ACN+2H"	84.067652
"1587239"	383.161928	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+K+HCOOH"	84.968628
"1423116"	413.193438	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+H+CF3COOH"	115.000138
"1156685"	211.643751	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+3ACN+2H"	125.094202
"1710613"	430.219985	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+NH4+CF3COOH"	132.026685
"1640795"	435.17538	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+Na+CF3COOH"	136.98208
"1583009"	451.14932	"C15277"	"3-Hydroxy-19-norpregna-135(10)-trien-20-one"	"C20H26O2"	"298.1933"	"M+K+CF3COOH"	152.95602
"803533"	242.1307	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M"	0
"975241"	223.11231	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-H2O-H"	-19.01839
"66034"	160.413190666667	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M-3H"	-3.021828
"504872"	241.123424	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M-3H"	-3.021828
"884858"	79.7029573333333	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-3H"	-3.021828
"5618"	241.123424	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M-2H"	-2.014552
"444084"	362.188774	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M-2H"	-2.014552
"826268"	120.058074	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-2H"	-2.014552
"87356"	483.254124	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M-H"	-1.007276
"531301"	725.384824	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M-H"	-1.007276
"910199"	241.123424	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-H"	-1.007276
"62669"	500.280671	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M-2H+NH4"	16.019271
"500845"	742.411371	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M-2H+NH4"	16.019271
"878647"	258.149971	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-2H+NH4"	16.019271
"44724"	505.236066	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M-2H+Na"	20.974666
"480638"	747.366766	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M-2H+Na"	20.974666
"850783"	263.105366	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-2H+Na"	20.974666
"1620316"	263.105366	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Na-2H"	20.974666
"100129"	259.111763	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M-H+Cl"	33.962126
"544070"	380.177113	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M-H+Cl"	33.962126
"938679"	138.046413	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-H+Cl"	33.962126
"276140"	519.230802	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+Cl"	34.969402
"670750"	761.361502	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+Cl"	34.969402
"1283154"	277.100102	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Cl"	34.969402
"30090"	521.210006	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M-2H+K"	36.948606
"465275"	763.340706	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M-2H+K"	36.948606
"847820"	279.079306	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-2H+K"	36.948606
"1570822"	279.079306	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+K-2H"	36.948606
"958442"	287.128894	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-H+HCOOH"	44.998194
"374855"	529.259601	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+HCOOH-H"	44.998201
"357641"	543.275251	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+Hac-H"	59.013851
"1503190"	301.144551	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Hac-H"	59.013851
"961254"	309.110851	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-H+NaCOOH"	66.980151
"118547"	277.100102	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+2Cl"	69.938804
"554826"	398.165452	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+2Cl"	69.938804
"1031283"	156.034752	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2Cl"	69.938804
"1250497"	321.049585	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Br"	78.918885
"1313310"	323.105572	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Cl+HCOOH"	80.974872
"1329711"	345.087529	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Cl+NaCOOH"	102.956829
"918582"	355.116286	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M-H+CF3COOH"	112.985586
"1293103"	391.092964	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Cl+CF3COOH"	148.962264
"1380020"	207.118024	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H-2H2O"	-35.012676
"1395330"	225.128	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H-H2O"	-17.0027
"296105"	485.268676	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+H"	1.007276
"687436"	727.399376	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+H"	1.007276
"1360503"	243.137976	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H"	1.007276
"130109"	243.137976	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+2H"	2.014552
"576234"	364.203326	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+2H"	2.014552
"1042844"	122.072626	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2H"	2.014552
"210744"	162.427742666667	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+3H"	3.021828
"650304"	243.137976	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+3H"	3.021828
"1169522"	81.7175093333333	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+3H"	3.021828
"430607"	502.295223	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+NH4"	18.033823
"791602"	744.425923	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+NH4"	18.033823
"1685744"	260.164523	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+NH4"	18.033823
"332201"	251.6512495	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+H+NH4"	19.041099
"728636"	372.7165995	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+H+NH4"	19.041099
"1483553"	130.5858995	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H+NH4"	19.041099
"400051"	507.250618	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+Na"	22.989218
"759951"	749.381318	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+Na"	22.989218
"1615354"	265.119918	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Na"	22.989218
"326482"	254.128947	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+H+Na"	23.996494
"718175"	375.194297	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+H+Na"	23.996494
"1474183"	133.063597	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H+Na"	23.996494
"1065238"	89.0448233333333	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2H+Na"	25.00377
"1269112"	275.164186	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+CH3OH+H"	33.033486
"388773"	523.224558	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+K"	38.963158
"752320"	765.355258	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+K"	38.963158
"1552549"	281.093858	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+K"	38.963158
"310091"	262.115917	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+H+K"	39.970434
"705069"	383.181267	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+H+K"	39.970434
"1459254"	141.050567	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H+K"	39.970434
"247852"	526.295226	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+ACN+H"	42.033826
"1222750"	284.164526	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+ACN+H"	42.033826
"1205902"	142.585901	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+ACN+2H"	43.041102
"195491"	529.23256	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+2Na-H"	44.97116
"638332"	771.36326	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+2Na-H"	44.97116
"1136370"	287.10186	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2Na-H"	44.97116
"179660"	265.119918	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+2Na"	45.978436
"620311"	386.185268	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+2Na"	45.978436
"1120901"	144.054568	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2Na"	45.978436
"1402971"	96.3721373333333	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H+2Na"	46.985712
"1431196"	289.143446	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H+HCOOH"	47.012746
"223688"	270.15294	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+3H2O+2H"	56.04448
"1509805"	303.19549	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+IsoProp+H"	61.06479
"411438"	273.106888	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+Na+K"	61.952376
"773525"	394.172238	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+Na+K"	61.952376
"1668030"	152.041538	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Na+K"	61.952376
"253706"	548.277168	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+ACN+Na"	64.015768
"1229086"	306.146468	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+ACN+Na"	64.015768
"1714818"	306.169993	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+NH4+HCOOH"	64.039293
"1180049"	103.699451333333	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+3Na"	68.967654
"1650549"	311.125388	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Na+HCOOH"	68.994688
"160085"	561.18044	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+2K-H"	76.91904
"604022"	803.31114	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+2K-H"	76.91904
"1094003"	319.04974	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2K-H"	76.91904
"147539"	281.093858	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"2M+2K"	77.926316
"588194"	402.159208	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"3M+2K"	77.926316
"1070521"	160.028508	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2K"	77.926316
"1102637"	321.064292	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2K+H"	78.933592
"1337194"	321.151907	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+DMSO+H"	79.021207
"1006818"	325.191076	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2ACN+H"	83.060376
"1525798"	326.184708	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+IsoProp+Na+H"	84.054008
"990665"	163.099176	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+2ACN+2H"	84.067652
"1589910"	327.099328	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+K+HCOOH"	84.968628
"1422133"	357.130838	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+H+CF3COOH"	115.000138
"1156795"	183.612451	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+3ACN+2H"	125.094202
"1708535"	374.157385	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+NH4+CF3COOH"	132.026685
"1641999"	379.11278	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+Na+CF3COOH"	136.98208
"1583119"	395.08672	"C15278"	"44-(2-Methylpropylidene)bisphenol;44-Isobutylidenediphenol"	"C16H18O2"	"242.1307"	"M+K+CF3COOH"	152.95602
"802549"	257.0735	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M"	0
"974267"	238.05511	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-H2O-H"	-19.01839
"65780"	170.375057333333	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M-3H"	-3.021828
"508261"	256.066224	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M-3H"	-3.021828
"883875"	84.6838906666667	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-3H"	-3.021828
"5727"	256.066224	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M-2H"	-2.014552
"444560"	384.602974	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M-2H"	-2.014552
"820542"	127.529474	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-2H"	-2.014552
"90746"	513.139724	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M-H"	-1.007276
"532991"	770.213224	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M-H"	-1.007276
"911041"	256.066224	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-H"	-1.007276
"62743"	530.166271	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M-2H+NH4"	16.019271
"501927"	787.239771	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M-2H+NH4"	16.019271
"879121"	273.092771	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-2H+NH4"	16.019271
"45198"	535.121666	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M-2H+Na"	20.974666
"480748"	792.195166	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M-2H+Na"	20.974666
"849799"	278.048166	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-2H+Na"	20.974666
"1619692"	278.048166	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Na-2H"	20.974666
"98052"	274.054563	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M-H+Cl"	33.962126
"544179"	402.591313	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M-H+Cl"	33.962126
"934412"	145.517813	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-H+Cl"	33.962126
"269688"	549.116402	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+Cl"	34.969402
"663201"	806.189902	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+Cl"	34.969402
"1272840"	292.042902	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Cl"	34.969402
"29103"	551.095606	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M-2H+K"	36.948606
"469757"	808.169106	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M-2H+K"	36.948606
"847568"	294.022106	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-2H+K"	36.948606
"1570773"	294.022106	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+K-2H"	36.948606
"957476"	302.071694	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-H+HCOOH"	44.998194
"376057"	559.145201	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+HCOOH-H"	44.998201
"358844"	573.160851	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+Hac-H"	59.013851
"1503300"	316.087351	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Hac-H"	59.013851
"962093"	324.053651	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-H+NaCOOH"	66.980151
"114280"	292.042902	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+2Cl"	69.938804
"554935"	420.579652	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+2Cl"	69.938804
"1031392"	163.506152	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2Cl"	69.938804
"1250970"	335.992385	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Br"	78.918885
"1311231"	338.048372	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Cl+HCOOH"	80.974872
"1327632"	360.030329	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Cl+NaCOOH"	102.956829
"918692"	370.059086	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M-H+CF3COOH"	112.985586
"1293213"	406.035764	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Cl+CF3COOH"	148.962264
"1381952"	222.060824	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H-2H2O"	-35.012676
"1397871"	240.0708	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H-H2O"	-17.0027
"298037"	515.154276	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+H"	1.007276
"680982"	772.227776	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+H"	1.007276
"1363893"	258.080776	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H"	1.007276
"131312"	258.080776	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+2H"	2.014552
"577073"	386.617526	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+2H"	2.014552
"1042954"	129.544026	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2H"	2.014552
"208667"	172.389609333333	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+3H"	3.021828
"650414"	258.080776	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+3H"	3.021828
"1169632"	86.6984426666667	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+3H"	3.021828
"430716"	532.180823	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+NH4"	18.033823
"792803"	789.254323	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+NH4"	18.033823
"1684761"	275.107323	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+NH4"	18.033823
"331947"	266.5940495	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+H+NH4"	19.041099
"728746"	395.1307995	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+H+NH4"	19.041099
"1485849"	138.0572995	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H+NH4"	19.041099
"402348"	537.136218	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+Na"	22.989218
"765526"	794.209718	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+Na"	22.989218
"1616921"	280.062718	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Na"	22.989218
"325860"	269.071747	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+H+Na"	23.996494
"720471"	397.608497	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+H+Na"	23.996494
"1475019"	140.534997	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H+Na"	23.996494
"1065710"	94.0257566666667	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2H+Na"	25.00377
"1271042"	290.106986	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+CH3OH+H"	33.033486
"390705"	553.110158	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+K"	38.963158
"753527"	810.183658	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+K"	38.963158
"1552659"	296.036658	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+K"	38.963158
"313483"	277.058717	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+H+K"	39.970434
"705908"	405.595467	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+H+K"	39.970434
"1460337"	148.521967	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H+K"	39.970434
"247962"	556.180826	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+ACN+H"	42.033826
"1222131"	299.107326	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+ACN+H"	42.033826
"1205284"	150.057301	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+ACN+2H"	43.041102
"197787"	559.11816	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+2Na-H"	44.97116
"639535"	816.19166	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+2Na-H"	44.97116
"1140854"	302.04466	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2Na-H"	44.97116
"181227"	280.062718	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+2Na"	45.978436
"624794"	408.599468	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+2Na"	45.978436
"1126111"	151.525968	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2Na"	45.978436
"1406361"	101.353070666667	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H+2Na"	46.985712
"1433007"	304.086246	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H+HCOOH"	47.012746
"224891"	285.09574	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+3H2O+2H"	56.04448
"1515138"	318.13829	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+IsoProp+H"	61.06479
"415191"	288.049688	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+Na+K"	61.952376
"774362"	416.586438	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+Na+K"	61.952376
"1671419"	159.512938	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Na+K"	61.952376
"253695"	578.162768	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+ACN+Na"	64.015768
"1230289"	321.089268	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+ACN+Na"	64.015768
"1715896"	321.112793	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+NH4+HCOOH"	64.039293
"1179551"	108.680384666667	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+3Na"	68.967654
"1652239"	326.068188	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Na+HCOOH"	68.994688
"162381"	591.06604	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+2K-H"	76.91904
"604132"	848.13954	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+2K-H"	76.91904
"1094113"	333.99254	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2K-H"	76.91904
"149836"	296.036658	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"2M+2K"	77.926316
"587211"	424.573408	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"3M+2K"	77.926316
"1070631"	167.499908	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2K"	77.926316
"1102747"	336.007092	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2K+H"	78.933592
"1339132"	336.094707	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+DMSO+H"	79.021207
"1007294"	340.133876	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2ACN+H"	83.060376
"1526880"	341.127508	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+IsoProp+Na+H"	84.054008
"994424"	170.570576	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+2ACN+2H"	84.067652
"1590020"	342.042128	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+K+HCOOH"	84.968628
"1423336"	372.073638	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+H+CF3COOH"	115.000138
"1156905"	191.083851	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+3ACN+2H"	125.094202
"1707552"	389.100185	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+NH4+CF3COOH"	132.026685
"1642109"	394.05558	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+Na+CF3COOH"	136.98208
"1583229"	410.02952	"C15279"	"2-Amino-6-(benzylthio)purine;6-Benzylthioguanine;Benzythioguanine"	"C12H11N5S"	"257.0735"	"M+K+CF3COOH"	152.95602
"801727"	400.2614	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M"	0
"974391"	381.24301	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-H2O-H"	-19.01839
"63460"	265.833657333333	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M-3H"	-3.021828
"503991"	399.254124	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M-3H"	-3.021828
"880459"	132.413190666667	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-3H"	-3.021828
"2192"	399.254124	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M-2H"	-2.014552
"441390"	599.384824	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M-2H"	-2.014552
"819920"	199.123424	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-2H"	-2.014552
"84284"	799.515524	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M-H"	-1.007276
"521667"	1199.776924	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M-H"	-1.007276
"910903"	399.254124	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-H"	-1.007276
"62362"	816.542071	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M-2H+NH4"	16.019271
"498514"	1216.803471	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M-2H+NH4"	16.019271
"877409"	416.280671	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-2H+NH4"	16.019271
"44215"	821.497466	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M-2H+Na"	20.974666
"480858"	1221.758866	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M-2H+Na"	20.974666
"851003"	421.236066	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-2H+Na"	20.974666
"1618665"	421.236066	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Na-2H"	20.974666
"99256"	417.242463	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M-H+Cl"	33.962126
"543196"	617.373163	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M-H+Cl"	33.962126
"933429"	217.111763	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-H+Cl"	33.962126
"268702"	835.492202	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+Cl"	34.969402
"662582"	1235.753602	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+Cl"	34.969402
"1272761"	435.230802	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Cl"	34.969402
"29213"	837.471406	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M-2H+K"	36.948606
"467679"	1237.732806	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M-2H+K"	36.948606
"846581"	437.210006	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-2H+K"	36.948606
"1570069"	437.210006	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+K-2H"	36.948606
"955763"	445.259594	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-H+HCOOH"	44.998194
"372884"	845.521001	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+HCOOH-H"	44.998201
"354580"	859.536651	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+Hac-H"	59.013851
"1500130"	459.275251	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Hac-H"	59.013851
"962202"	467.241551	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-H+NaCOOH"	66.980151
"114390"	435.230802	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+2Cl"	69.938804
"556138"	635.361502	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+2Cl"	69.938804
"1031138"	235.100102	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2Cl"	69.938804
"1246705"	479.180285	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Br"	78.918885
"1308058"	481.236272	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Cl+HCOOH"	80.974872
"1326649"	503.218229	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Cl+NaCOOH"	102.956829
"914062"	513.246986	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M-H+CF3COOH"	112.985586
"1290769"	549.223664	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Cl+CF3COOH"	148.962264
"1380969"	365.248724	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H-2H2O"	-35.012676
"1394453"	383.2587	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H-H2O"	-17.0027
"289764"	801.530076	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+H"	1.007276
"682184"	1201.791476	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+H"	1.007276
"1361814"	401.268676	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H"	1.007276
"131422"	401.268676	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+2H"	2.014552
"569894"	601.399376	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+2H"	2.014552
"1038690"	201.137976	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2H"	2.014552
"206589"	267.848209333333	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+3H"	3.021828
"645054"	401.268676	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+3H"	3.021828
"1163544"	134.427742666667	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+3H"	3.021828
"429732"	818.556623	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+NH4"	18.033823
"794006"	1218.818023	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+NH4"	18.033823
"1682685"	418.295223	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+NH4"	18.033823
"332055"	409.7819495	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+H+NH4"	19.041099
"727755"	609.9126495	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+H+NH4"	19.041099
"1477121"	209.6512495	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H+NH4"	19.041099
"400270"	823.512018	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+Na"	22.989218
"761263"	1223.773418	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+Na"	22.989218
"1614845"	423.250618	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Na"	22.989218
"326699"	412.259647	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+H+Na"	23.996494
"720581"	612.390347	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+H+Na"	23.996494
"1475129"	212.128947	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H+Na"	23.996494
"1066184"	141.755056666667	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2H+Na"	25.00377
"1266415"	433.294886	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+CH3OH+H"	33.033486
"390087"	839.485958	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+K"	38.963158
"747800"	1239.747358	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+K"	38.963158
"1549853"	439.224558	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+K"	38.963158
"309217"	420.246617	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+H+K"	39.970434
"704924"	620.377317	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+H+K"	39.970434
"1460567"	220.115917	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H+K"	39.970434
"242969"	842.556626	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+ACN+H"	42.033826
"1220052"	442.295226	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+ACN+H"	42.033826
"1206122"	221.651251	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+ACN+2H"	43.041102
"193523"	845.49396	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+2Na-H"	44.97116
"634178"	1245.75536	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+2Na-H"	44.97116
"1137682"	445.23256	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2Na-H"	44.97116
"182064"	423.250618	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+2Na"	45.978436
"621623"	623.381318	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+2Na"	45.978436
"1122940"	223.119918	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2Na"	45.978436
"1405371"	149.082370666667	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H+2Na"	46.985712
"1435298"	447.274146	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H+HCOOH"	47.012746
"223901"	428.28364	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+3H2O+2H"	56.04448
"1511963"	461.32619	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+IsoProp+H"	61.06479
"413838"	431.237588	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+Na+K"	61.952376
"776658"	631.368288	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+Na+K"	61.952376
"1668614"	231.106888	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Na+K"	61.952376
"254411"	864.538568	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+ACN+Na"	64.015768
"1228212"	464.277168	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+ACN+Na"	64.015768
"1712792"	464.300693	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+NH4+HCOOH"	64.039293
"1180269"	156.409684666667	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+3Na"	68.967654
"1653442"	469.256088	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Na+HCOOH"	68.994688
"163584"	877.44184	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+2K-H"	76.91904
"600595"	1277.70324	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+2K-H"	76.91904
"1093130"	477.18044	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2K-H"	76.91904
"147759"	439.224558	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"2M+2K"	77.926316
"582458"	639.355258	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"3M+2K"	77.926316
"1069647"	239.093858	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2K"	77.926316
"1102857"	479.194992	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2K+H"	78.933592
"1336322"	479.282607	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+DMSO+H"	79.021207
"1006431"	483.321776	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2ACN+H"	83.060376
"1526990"	484.315408	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+IsoProp+Na+H"	84.054008
"994534"	242.164526	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+2ACN+2H"	84.067652
"1592316"	485.230028	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+K+HCOOH"	84.968628
"1422353"	515.261538	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+H+CF3COOH"	115.000138
"1157015"	262.677801	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+3ACN+2H"	125.094202
"1705473"	532.288085	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+NH4+CF3COOH"	132.026685
"1642218"	537.24348	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+Na+CF3COOH"	136.98208
"1583339"	553.21742	"C15280"	"16alpha17-Isopropylidenedioxy-6alpha-methylprogesterone;16alpha17-Dihydroxy-6alpha-methylpregn-4-ene-320-dione cyclic acetal with acetone"	"C25H36O4"	"400.2614"	"M+K+CF3COOH"	152.95602
"803862"	305.2355	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M"	0
"975692"	286.21711	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-H2O-H"	-19.01839
"64546"	202.483057333333	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M-3H"	-3.021828
"505195"	304.228224	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M-3H"	-3.021828
"883002"	100.737890666667	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-3H"	-3.021828
"4855"	304.228224	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M-2H"	-2.014552
"443327"	456.845974	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M-2H"	-2.014552
"821127"	151.610474	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-2H"	-2.014552
"82208"	609.463724	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M-H"	-1.007276
"521777"	914.699224	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M-H"	-1.007276
"910531"	304.228224	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-H"	-1.007276
"61983"	626.490271	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M-2H+NH4"	16.019271
"500692"	931.725771	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M-2H+NH4"	16.019271
"878858"	321.254771	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-2H+NH4"	16.019271
"44325"	631.445666	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M-2H+Na"	20.974666
"480968"	936.681166	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M-2H+Na"	20.974666
"850020"	326.210166	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-2H+Na"	20.974666
"1619060"	326.210166	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Na-2H"	20.974666
"99730"	322.216563	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M-H+Cl"	33.962126
"543306"	474.834313	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M-H+Cl"	33.962126
"934632"	169.598813	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-H+Cl"	33.962126
"271728"	645.440402	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+Cl"	34.969402
"662327"	950.675902	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+Cl"	34.969402
"1273634"	340.204902	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Cl"	34.969402
"28230"	647.419606	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M-2H+K"	36.948606
"466696"	952.655106	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M-2H+K"	36.948606
"845598"	342.184106	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-2H+K"	36.948606
"1567991"	342.184106	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+K-2H"	36.948606
"953686"	350.233694	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-H+HCOOH"	44.998194
"371900"	655.469201	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+HCOOH-H"	44.998201
"353597"	669.484851	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+Hac-H"	59.013851
"1501333"	364.249351	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Hac-H"	59.013851
"962312"	372.215651	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-H+NaCOOH"	66.980151
"111945"	340.204902	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+2Cl"	69.938804
"553696"	492.822652	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+2Cl"	69.938804
"1023222"	187.587152	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2Cl"	69.938804
"1247908"	384.154385	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Br"	78.918885
"1308532"	386.210372	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Cl+HCOOH"	80.974872
"1325665"	408.192329	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Cl+NaCOOH"	102.956829
"914172"	418.221086	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M-H+CF3COOH"	112.985586
"1291972"	454.197764	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Cl+CF3COOH"	148.962264
"1381078"	270.222824	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H-2H2O"	-35.012676
"1395656"	288.2328	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H-H2O"	-17.0027
"289874"	611.478276	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+H"	1.007276
"679013"	916.713776	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+H"	1.007276
"1356456"	306.242776	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H"	1.007276
"131532"	306.242776	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+2H"	2.014552
"573282"	458.860526	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+2H"	2.014552
"1040986"	153.625026	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2H"	2.014552
"207792"	204.497609333333	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+3H"	3.021828
"645164"	306.242776	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+3H"	3.021828
"1164260"	102.752442666667	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+3H"	3.021828
"428748"	628.504823	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+NH4"	18.033823
"795209"	933.740323	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+NH4"	18.033823
"1683523"	323.269323	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+NH4"	18.033823
"331191"	314.7560495	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+H+NH4"	19.041099
"727866"	467.3737995	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+H+NH4"	19.041099
"1478041"	162.1382995	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H+NH4"	19.041099
"400380"	633.460218	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+Na"	22.989218
"759186"	938.695718	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+Na"	22.989218
"1613853"	328.224718	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Na"	22.989218
"326080"	317.233747	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+H+Na"	23.996494
"720322"	469.851497	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+H+Na"	23.996494
"1473415"	164.615997	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H+Na"	23.996494
"1064472"	110.079756666667	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2H+Na"	25.00377
"1271620"	338.268986	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+CH3OH+H"	33.033486
"386911"	649.434158	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+K"	38.963158
"748998"	954.669658	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+K"	38.963158
"1549963"	344.198658	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+K"	38.963158
"309327"	325.220717	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+H+K"	39.970434
"705397"	477.838467	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+H+K"	39.970434
"1461044"	172.602967	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H+K"	39.970434
"241986"	652.504826	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+ACN+H"	42.033826
"1221255"	347.269326	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+ACN+H"	42.033826
"1205868"	174.138301	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+ACN+2H"	43.041102
"193633"	655.44216	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+2Na-H"	44.97116
"635381"	960.67766	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+2Na-H"	44.97116
"1138885"	350.20666	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2Na-H"	44.97116
"182174"	328.224718	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+2Na"	45.978436
"622826"	480.842468	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+2Na"	45.978436
"1125236"	175.606968	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2Na"	45.978436
"1407667"	117.407070666667	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H+2Na"	46.985712
"1437595"	352.248246	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H+HCOOH"	47.012746
"224011"	333.25774	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+3H2O+2H"	56.04448
"1510250"	366.30029	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+IsoProp+H"	61.06479
"413948"	336.211688	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+Na+K"	61.952376
"774946"	488.829438	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+Na+K"	61.952376
"1667267"	183.593938	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Na+K"	61.952376
"254520"	674.486768	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+ACN+Na"	64.015768
"1228686"	369.251268	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+ACN+Na"	64.015768
"1714293"	369.274793	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+NH4+HCOOH"	64.039293
"1179161"	124.734384666667	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+3Na"	68.967654
"1653552"	374.230188	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Na+HCOOH"	68.994688
"162600"	687.39004	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+2K-H"	76.91904
"604349"	992.62554	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+2K-H"	76.91904
"1093240"	382.15454	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2K-H"	76.91904
"150055"	344.198658	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"2M+2K"	77.926316
"586336"	496.816408	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"3M+2K"	77.926316
"1071943"	191.580908	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2K"	77.926316
"1102967"	384.169092	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2K+H"	78.933592
"1337526"	384.256707	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+DMSO+H"	79.021207
"1008239"	388.295876	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2ACN+H"	83.060376
"1530379"	389.289508	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+IsoProp+Na+H"	84.054008
"994639"	194.651576	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+2ACN+2H"	84.067652
"1590238"	390.204128	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+K+HCOOH"	84.968628
"1416990"	420.235638	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+H+CF3COOH"	115.000138
"1147401"	215.164851	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+3ACN+2H"	125.094202
"1705583"	437.262185	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+NH4+CF3COOH"	132.026685
"1642328"	442.21758	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+Na+CF3COOH"	136.98208
"1583449"	458.19152	"C15281"	"17beta-Nitro-5alpha-androstane"	"C19H31NO2"	"305.2355"	"M+K+CF3COOH"	152.95602
"807255"	316.2038	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M"	0
"980790"	297.18541	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"71218"	209.795257333333	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"507500"	315.196524	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"881410"	104.393990666667	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"2780"	315.196524	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"449999"	473.298424	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"819052"	157.094624	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"84509"	631.400324	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"521887"	947.604124	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"910032"	315.196524	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"61851"	648.426871	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"501775"	964.630671	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"878973"	332.223071	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"46264"	653.382266	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"481080"	969.586066	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"855600"	337.178466	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1622947"	337.178466	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"100570"	333.184863	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"547668"	491.286763	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"934742"	175.082963	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"273296"	667.377002	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"663166"	983.580802	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1281406"	351.173202	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"29433"	669.356206	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"467899"	985.560006	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"846801"	353.152406	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1569194"	353.152406	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"955984"	361.201994	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"372010"	677.405801	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"353706"	691.421451	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1497070"	375.217651	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"960963"	383.183951	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"112419"	351.173202	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"551618"	509.275102	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1023694"	193.071302	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1244738"	395.122685	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1307549"	397.178672	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1321762"	419.160629	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"914282"	429.189386	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1292448"	465.166064	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1378272"	281.191124	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1394673"	299.2011	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"291077"	633.414876	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"679487"	949.618676	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1354743"	317.211076	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"131642"	317.211076	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"573392"	475.312976	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1040002"	159.109176	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"208266"	211.809809333333	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"646732"	317.211076	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1168867"	106.408542666667	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"432139"	650.441423	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"794226"	966.645223	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1684363"	334.237623	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"331546"	325.7243495	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"724695"	483.8262495	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1478515"	167.6224495	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"399397"	655.396818	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"761482"	971.600618	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1612870"	339.193018	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"326920"	328.202047	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"718610"	486.303947	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1473525"	170.100147	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1062396"	113.735856666667	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1270637"	349.237286	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"385928"	671.370758	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"748015"	987.574558	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1550073"	355.166958	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"309437"	336.189017	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"704779"	494.290917	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1460424"	178.087117	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"243189"	674.441426	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1223072"	358.237626	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1205978"	179.622451	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"203228"	677.37876	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"642663"	993.58256	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1138267"	361.17496	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"182284"	339.193018	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"624393"	497.294918	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1126444"	181.091118	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1409964"	121.063170666667	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1435157"	363.216546	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"225216"	344.22604	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1512185"	377.26859	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"415155"	347.179988	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"775056"	505.281888	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1671390"	189.078088	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"255724"	696.423368	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1229891"	380.219568	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1719512"	380.243093	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1185958"	128.390484666667	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1658038"	385.198488	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"164900"	709.32664	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"608110"	1025.53044	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1092257"	393.12284	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"147979"	355.166958	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"587545"	513.268858	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1075338"	197.065058	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1105265"	395.137392	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1338365"	395.225007	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1007985"	399.264176	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1528303"	400.257808	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"994749"	200.135726	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1590348"	401.172428	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1415403"	431.203938	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1157235"	220.649001	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1705693"	448.230485	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1641345"	453.18588	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1583559"	469.15982	"C15282"	"17beta-Hydroxyestr-5(10)-en-3-one acetate;19-Norandrost-5(10)-en-17beta-acetoxy-3-one"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"810644"	400.2977	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M"	0
"977618"	381.27931	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-H2O-H"	-19.01839
"65860"	265.857857333333	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M-3H"	-3.021828
"507975"	399.290424	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M-3H"	-3.021828
"885412"	132.425290666667	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-3H"	-3.021828
"1799"	399.290424	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M-2H"	-2.014552
"452296"	599.439274	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M-2H"	-2.014552
"824630"	199.141574	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-2H"	-2.014552
"82433"	799.588124	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M-H"	-1.007276
"532935"	1199.885824	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M-H"	-1.007276
"911228"	399.290424	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-H"	-1.007276
"61847"	816.614671	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M-2H+NH4"	16.019271
"502500"	1216.912371	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M-2H+NH4"	16.019271
"879531"	416.316971	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-2H+NH4"	16.019271
"46494"	821.570066	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M-2H+Na"	20.974666
"486182"	1221.867766	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M-2H+Na"	20.974666
"862271"	421.272366	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-2H+Na"	20.974666
"1624150"	421.272366	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Na-2H"	20.974666
"100680"	417.278763	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M-H+Cl"	33.962126
"543526"	617.427613	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M-H+Cl"	33.962126
"937041"	217.129913	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-H+Cl"	33.962126
"275597"	835.564802	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+Cl"	34.969402
"665830"	1235.862502	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+Cl"	34.969402
"1282609"	435.267102	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Cl"	34.969402
"31123"	837.544006	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M-2H+K"	36.948606
"469102"	1237.841706	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M-2H+K"	36.948606
"847278"	437.246306	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-2H+K"	36.948606
"1570035"	437.246306	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+K-2H"	36.948606
"953906"	445.295894	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-H+HCOOH"	44.998194
"371027"	845.593601	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+HCOOH-H"	44.998201
"354911"	859.609251	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+Hac-H"	59.013851
"1500462"	459.311551	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Hac-H"	59.013851
"968001"	467.277851	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-H+NaCOOH"	66.980151
"112534"	435.267102	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+2Cl"	69.938804
"553190"	635.415952	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+2Cl"	69.938804
"1023445"	235.118252	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2Cl"	69.938804
"1244846"	479.216585	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Br"	78.918885
"1305470"	481.272572	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Cl+HCOOH"	80.974872
"1324786"	503.254529	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Cl+NaCOOH"	102.956829
"911838"	513.283286	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M-H+CF3COOH"	112.985586
"1291466"	549.259964	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Cl+CF3COOH"	148.962264
"1375102"	365.285024	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H-2H2O"	-35.012676
"1393689"	383.295	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H-H2O"	-17.0027
"292280"	801.602676	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+H"	1.007276
"682515"	1201.900376	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+H"	1.007276
"1355581"	401.304976	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H"	1.007276
"127376"	401.304976	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+2H"	2.014552
"573501"	601.453826	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+2H"	2.014552
"1042299"	201.156126	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2H"	2.014552
"206918"	267.872409333333	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+3H"	3.021828
"647570"	401.304976	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+3H"	3.021828
"1163874"	134.439842666667	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+3H"	3.021828
"426781"	818.629223	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+NH4"	18.033823
"788142"	1218.926923	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+NH4"	18.033823
"1683380"	418.331523	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+NH4"	18.033823
"331294"	409.8182495	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+H+NH4"	19.041099
"724078"	609.9670995	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+H+NH4"	19.041099
"1477071"	209.6693995	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H+NH4"	19.041099
"401695"	823.584618	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+Na"	22.989218
"763779"	1223.882318	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+Na"	22.989218
"1611887"	423.286918	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Na"	22.989218
"324112"	412.295947	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+H+Na"	23.996494
"717626"	612.444797	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+H+Na"	23.996494
"1470352"	212.147097	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H+Na"	23.996494
"1060314"	141.767156666667	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2H+Na"	25.00377
"1265275"	433.331186	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+CH3OH+H"	33.033486
"381661"	839.558558	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+K"	38.963158
"741197"	1239.856258	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+K"	38.963158
"1551272"	439.260858	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+K"	38.963158
"309543"	420.282917	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+H+K"	39.970434
"705981"	620.431767	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+H+K"	39.970434
"1460168"	220.134067	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H+K"	39.970434
"249497"	842.629226	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+ACN+H"	42.033826
"1225614"	442.331526	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+ACN+H"	42.033826
"1208524"	221.669401	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+ACN+2H"	43.041102
"202852"	845.56656	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+2Na-H"	44.97116
"643507"	1245.86426	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+2Na-H"	44.97116
"1145550"	445.26886	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2Na-H"	44.97116
"185681"	423.286918	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+2Na"	45.978436
"620866"	623.435768	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+2Na"	45.978436
"1122548"	223.138068	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2Na"	45.978436
"1405707"	149.094470666667	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H+2Na"	46.985712
"1433815"	447.310446	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H+HCOOH"	47.012746
"227515"	428.31994	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+3H2O+2H"	56.04448
"1514488"	461.36249	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+IsoProp+H"	61.06479
"414173"	431.273888	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+Na+K"	61.952376
"774075"	631.422738	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+Na+K"	61.952376
"1669313"	231.125038	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Na+K"	61.952376
"258023"	864.611168	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+ACN+Na"	64.015768
"1231824"	464.313468	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+ACN+Na"	64.015768
"1721808"	464.336993	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+NH4+HCOOH"	64.039293
"1189350"	156.421784666667	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+3Na"	68.967654
"1661430"	469.292388	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Na+HCOOH"	68.994688
"166103"	877.51444	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+2K-H"	76.91904
"608949"	1277.81214	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+2K-H"	76.91904
"1093463"	477.21674	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2K-H"	76.91904
"150277"	439.260858	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"2M+2K"	77.926316
"592031"	639.409708	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"3M+2K"	77.926316
"1076541"	239.112008	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2K"	77.926316
"1109752"	479.231292	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2K+H"	78.933592
"1342851"	479.318907	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+DMSO+H"	79.021207
"1010285"	483.358076	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2ACN+H"	83.060376
"1528412"	484.351708	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+IsoProp+Na+H"	84.054008
"994864"	242.182676	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+2ACN+2H"	84.067652
"1592645"	485.266328	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+K+HCOOH"	84.968628
"1417214"	515.297838	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+H+CF3COOH"	115.000138
"1150784"	262.695951	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+3ACN+2H"	125.094202
"1705803"	532.324385	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+NH4+CF3COOH"	132.026685
"1639268"	537.27978	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+Na+CF3COOH"	136.98208
"1583669"	553.25372	"C15283"	"17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate"	"C26H40O3"	"400.2977"	"M+K+CF3COOH"	152.95602
"810755"	388.225	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M"	0
"981009"	369.20661	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H2O-H"	-19.01839
"65970"	257.809390666667	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-3H"	-3.021828
"505534"	387.217724	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-3H"	-3.021828
"882242"	128.401057333333	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-3H"	-3.021828
"9565"	387.217724	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H"	-2.014552
"446939"	581.330224	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H"	-2.014552
"824741"	193.105224	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H"	-2.014552
"90566"	775.442724	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-H"	-1.007276
"533290"	1163.667724	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-H"	-1.007276
"908659"	387.217724	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H"	-1.007276
"62678"	792.469271	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H+NH4"	16.019271
"502523"	1180.694271	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H+NH4"	16.019271
"879826"	404.244271	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H+NH4"	16.019271
"46724"	797.424666	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H+Na"	20.974666
"484459"	1185.649666	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H+Na"	20.974666
"859100"	409.199666	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H+Na"	20.974666
"1625353"	409.199666	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na-2H"	20.974666
"100791"	405.206063	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-H+Cl"	33.962126
"543636"	599.318563	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-H+Cl"	33.962126
"937151"	211.093563	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+Cl"	33.962126
"275707"	811.419402	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Cl"	34.969402
"665940"	1199.644402	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+Cl"	34.969402
"1283812"	423.194402	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl"	34.969402
"27466"	813.398606	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H+K"	36.948606
"467026"	1201.623606	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H+K"	36.948606
"846658"	425.173606	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H+K"	36.948606
"1570145"	425.173606	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K-2H"	36.948606
"954016"	433.223194	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+HCOOH"	44.998194
"370044"	821.448201	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+HCOOH-H"	44.998201
"355021"	835.463851	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Hac-H"	59.013851
"1500572"	447.238851	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Hac-H"	59.013851
"967018"	455.205151	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+NaCOOH"	66.980151
"114831"	423.194402	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2Cl"	69.938804
"554393"	617.306902	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2Cl"	69.938804
"1022826"	229.081902	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2Cl"	69.938804
"1243498"	467.143885	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Br"	78.918885
"1306674"	469.199872	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl+HCOOH"	80.974872
"1325992"	491.181829	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl+NaCOOH"	102.956829
"911779"	501.210586	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+CF3COOH"	112.985586
"1291576"	537.187264	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl+CF3COOH"	148.962264
"1375212"	353.212324	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H-2H2O"	-35.012676
"1392706"	371.2223	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H-H2O"	-17.0027
"291297"	777.457276	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H"	1.007276
"683718"	1165.682276	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H"	1.007276
"1358972"	389.232276	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H"	1.007276
"128580"	389.232276	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2H"	2.014552
"572518"	583.344776	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2H"	2.014552
"1042409"	195.119776	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2H"	2.014552
"210308"	259.823942666667	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+3H"	3.021828
"649867"	389.232276	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+3H"	3.021828
"1167993"	130.415609333333	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+3H"	3.021828
"429078"	794.483823	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+NH4"	18.033823
"790075"	1182.708823	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+NH4"	18.033823
"1683490"	406.258823	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+NH4"	18.033823
"331040"	397.7455495	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H+NH4"	19.041099
"726011"	591.8580495	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H+NH4"	19.041099
"1477229"	203.6330495	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+NH4"	19.041099
"397788"	799.439218	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Na"	22.989218
"760609"	1187.664218	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+Na"	22.989218
"1608717"	411.214218	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na"	22.989218
"324221"	400.223247	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H+Na"	23.996494
"714455"	594.335747	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H+Na"	23.996494
"1468274"	206.110747	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+Na"	23.996494
"1057144"	137.742923333333	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2H+Na"	25.00377
"1262105"	421.258486	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+CH3OH+H"	33.033486
"380677"	815.413158	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+K"	38.963158
"741672"	1203.638158	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+K"	38.963158
"1548102"	427.188158	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K"	38.963158
"304186"	408.210217	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H+K"	39.970434
"705362"	602.322717	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H+K"	39.970434
"1461006"	214.097717	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+K"	39.970434
"247784"	818.483826	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+ACN+H"	42.033826
"1225239"	430.258826	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+ACN+H"	42.033826
"1208510"	215.633051	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+ACN+2H"	43.041102
"204058"	821.42116	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2Na-H"	44.97116
"643493"	1209.64616	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2Na-H"	44.97116
"1143594"	433.19616	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2Na-H"	44.97116
"183604"	411.214218	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2Na"	45.978436
"617696"	605.326718	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2Na"	45.978436
"1125574"	217.101718	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2Na"	45.978436
"1408004"	145.070237333333	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+2Na"	46.985712
"1434654"	435.237746	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+HCOOH"	47.012746
"226532"	416.24724	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+3H2O+2H"	56.04448
"1513502"	449.28979	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+IsoProp+H"	61.06479
"411002"	419.201188	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Na+K"	61.952376
"771270"	613.313688	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+Na+K"	61.952376
"1667600"	225.088688	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na+K"	61.952376
"259229"	840.465768	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+ACN+Na"	64.015768
"1236311"	452.240768	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+ACN+Na"	64.015768
"1723011"	452.264293	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+NH4+HCOOH"	64.039293
"1189829"	152.397551333333	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+3Na"	68.967654
"1659354"	457.219688	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na+HCOOH"	68.994688
"165856"	853.36904	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2K-H"	76.91904
"605415"	1241.59404	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2K-H"	76.91904
"1088468"	465.14404	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2K-H"	76.91904
"149291"	427.188158	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2K"	77.926316
"591046"	621.300658	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2K"	77.926316
"1074465"	233.075658	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2K"	77.926316
"1109863"	467.158592	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2K+H"	78.933592
"1342962"	467.246207	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+DMSO+H"	79.021207
"1011489"	471.285376	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2ACN+H"	83.060376
"1532896"	472.279008	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+IsoProp+Na+H"	84.054008
"996066"	236.146326	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2ACN+2H"	84.067652
"1592755"	473.193628	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K+HCOOH"	84.968628
"1418418"	503.225138	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+CF3COOH"	115.000138
"1147976"	256.659601	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+3ACN+2H"	125.094202
"1705915"	520.251685	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+NH4+CF3COOH"	132.026685
"1638284"	525.20708	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na+CF3COOH"	136.98208
"1583779"	541.18102	"C15284"	"6beta17beta-Dihydroxyandrost-4-en-3-one diacetate;6beta-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K+CF3COOH"	152.95602
"802116"	322.2508	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M"	0
"981119"	303.23241	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-H2O-H"	-19.01839
"66080"	213.826590666667	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M-3H"	-3.021828
"505644"	321.243524	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M-3H"	-3.021828
"883445"	106.409657333333	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-3H"	-3.021828
"9675"	321.243524	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M-2H"	-2.014552
"447049"	482.368924	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M-2H"	-2.014552
"824851"	160.118124	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-2H"	-2.014552
"92621"	643.494324	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M-H"	-1.007276
"532428"	965.745124	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M-H"	-1.007276
"908648"	321.243524	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-H"	-1.007276
"61935"	660.520871	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M-2H+NH4"	16.019271
"501496"	982.771671	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M-2H+NH4"	16.019271
"878449"	338.270071	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-2H+NH4"	16.019271
"45500"	665.476266	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M-2H+Na"	20.974666
"486272"	987.727066	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M-2H+Na"	20.974666
"859210"	343.225466	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-2H+Na"	20.974666
"1624370"	343.225466	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Na-2H"	20.974666
"98714"	339.231863	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M-H+Cl"	33.962126
"545933"	500.357263	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M-H+Cl"	33.962126
"936897"	178.106463	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-H+Cl"	33.962126
"276910"	679.471002	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+Cl"	34.969402
"664957"	1001.721802	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+Cl"	34.969402
"1284651"	357.220202	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Cl"	34.969402
"30736"	681.450206	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M-2H+K"	36.948606
"467136"	1003.701006	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M-2H+K"	36.948606
"844946"	359.199406	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-2H+K"	36.948606
"1568430"	359.199406	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+K-2H"	36.948606
"951938"	367.248994	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-H+HCOOH"	44.998194
"370154"	689.499801	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+HCOOH-H"	44.998201
"356224"	703.515451	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+Hac-H"	59.013851
"1500682"	381.264651	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Hac-H"	59.013851
"970408"	389.230951	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-H+NaCOOH"	66.980151
"114941"	357.220202	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+2Cl"	69.938804
"554503"	518.345602	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+2Cl"	69.938804
"1022572"	196.094802	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2Cl"	69.938804
"1243973"	401.169685	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Br"	78.918885
"1307514"	403.225672	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Cl+HCOOH"	80.974872
"1327197"	425.207629	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Cl+NaCOOH"	102.956829
"913152"	435.236386	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M-H+CF3COOH"	112.985586
"1291686"	471.213064	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Cl+CF3COOH"	148.962264
"1376416"	287.238124	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H-2H2O"	-35.012676
"1394640"	305.2481	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H-H2O"	-17.0027
"289221"	645.508876	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+H"	1.007276
"678361"	967.759676	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+H"	1.007276
"1359082"	323.258076	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H"	1.007276
"131970"	323.258076	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+2H"	2.014552
"572627"	484.383476	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+2H"	2.014552
"1042519"	162.132676	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2H"	2.014552
"210418"	215.841142666667	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+3H"	3.021828
"653258"	323.258076	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+3H"	3.021828
"1164823"	108.424209333333	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+3H"	3.021828
"429188"	662.535423	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+NH4"	18.033823
"789091"	984.786223	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+NH4"	18.033823
"1686516"	340.284623	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+NH4"	18.033823
"332607"	331.7713495	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+H+NH4"	19.041099
"726122"	492.8967495	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+H+NH4"	19.041099
"1477752"	170.6459495	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H+NH4"	19.041099
"398262"	667.490818	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+Na"	22.989218
"761812"	989.741618	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+Na"	22.989218
"1609920"	345.240018	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Na"	22.989218
"324331"	334.249047	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+H+Na"	23.996494
"715661"	495.374447	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+H+Na"	23.996494
"1469480"	173.123647	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H+Na"	23.996494
"1057254"	115.751523333333	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2H+Na"	25.00377
"1266590"	355.284286	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+CH3OH+H"	33.033486
"386256"	683.464758	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+K"	38.963158
"742877"	1005.715558	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+K"	38.963158
"1543836"	361.213958	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+K"	38.963158
"301016"	342.236017	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+H+K"	39.970434
"706445"	503.361417	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+H+K"	39.970434
"1460024"	181.110617	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H+K"	39.970434
"247894"	686.535426	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+ACN+H"	42.033826
"1224863"	364.284626	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+ACN+H"	42.033826
"1209349"	182.645951	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+ACN+2H"	43.041102
"203680"	689.47276	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+2Na-H"	44.97116
"643727"	1011.72356	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+2Na-H"	44.97116
"1144312"	367.22196	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2Na-H"	44.97116
"183714"	345.240018	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+2Na"	45.978436
"617806"	506.365418	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+2Na"	45.978436
"1121311"	184.114618	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2Na"	45.978436
"1410301"	123.078837333333	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H+2Na"	46.985712
"1435856"	369.263546	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H+HCOOH"	47.012746
"227735"	350.27304	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+3H2O+2H"	56.04448
"1512153"	383.31559	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+IsoProp+H"	61.06479
"411476"	353.226988	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+Na+K"	61.952376
"772473"	514.352388	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+Na+K"	61.952376
"1667345"	192.101588	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Na+K"	61.952376
"260432"	708.517368	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+ACN+Na"	64.015768
"1238243"	386.266568	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+ACN+Na"	64.015768
"1724214"	386.290093	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+NH4+HCOOH"	64.039293
"1188482"	130.406151333333	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+3Na"	68.967654
"1661652"	391.245488	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Na+HCOOH"	68.994688
"167424"	721.42064	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+2K-H"	76.91904
"608078"	1043.67144	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+2K-H"	76.91904
"1091495"	399.16984	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2K-H"	76.91904
"150495"	361.213958	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"2M+2K"	77.926316
"585685"	522.339358	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"3M+2K"	77.926316
"1071293"	200.088558	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2K"	77.926316
"1107784"	401.184392	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2K+H"	78.933592
"1340887"	401.272007	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+DMSO+H"	79.021207
"1010505"	405.311176	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2ACN+H"	83.060376
"1533005"	406.304808	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+IsoProp+Na+H"	84.054008
"997266"	203.159226	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+2ACN+2H"	84.067652
"1593957"	407.219428	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+K+HCOOH"	84.968628
"1418528"	437.250938	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+H+CF3COOH"	115.000138
"1149908"	223.672501	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+3ACN+2H"	125.094202
"1702743"	454.277485	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+NH4+CF3COOH"	132.026685
"1639488"	459.23288	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+Na+CF3COOH"	136.98208
"1583889"	475.20682	"C15285"	"17alpha-Methyl-5alpha-androstane-3beta11beta17beta-triol;U6952"	"C20H34O3"	"322.2508"	"M+K+CF3COOH"	152.95602
"802468"	304.2038	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M"	0
"981230"	285.18541	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"66190"	201.795257333333	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"505754"	303.196524	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"883555"	100.393990666667	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"13066"	303.196524	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"455302"	455.298424	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"831280"	151.094624	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"92731"	607.400324	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"532781"	911.604124	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"907786"	303.196524	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"60954"	624.426871	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"500879"	928.630671	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"877588"	320.223071	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"42695"	629.382266	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"483708"	933.586066	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"859323"	325.178466	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1626669"	325.178466	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"98459"	321.184863	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"544950"	473.286763	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"934091"	169.082963	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"273740"	643.377002	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"665067"	947.580802	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1276741"	339.173202	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"22218"	645.356206	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"460684"	949.560006	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"846876"	341.152406	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1568540"	341.152406	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"952047"	349.201994	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"368075"	653.405801	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"356332"	667.421451	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1506623"	363.217651	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"967238"	371.183951	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"112864"	339.173202	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"554977"	491.275102	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1025598"	187.071302	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1243354"	383.122685	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1309811"	385.178672	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1327307"	407.160629	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"913991"	417.189386	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1292889"	453.166064	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1381262"	269.191124	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1394020"	287.2011	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"287144"	609.414876	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"678471"	913.618676	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1360285"	305.211076	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"134267"	305.211076	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"571643"	457.312976	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1043723"	153.109176	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"212716"	203.809809333333	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"648994"	305.211076	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1170399"	102.408542666667	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"430393"	626.441423	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"792482"	930.645223	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1691000"	322.237623	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"331989"	313.7243495	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"726597"	465.8262495	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1477865"	161.6224495	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"397644"	631.396818	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"760829"	935.600618	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1607844"	327.193018	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"323348"	316.202047	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"715771"	468.303947	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1470683"	164.100147	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1058457"	109.735856666667	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1265607"	337.237286	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"386366"	647.370758	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"744080"	951.574558	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1543945"	343.166958	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"299301"	324.189017	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"705218"	476.290917	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1459406"	172.087117	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"248733"	650.441426	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1223632"	346.237626	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1207517"	173.622451	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"202813"	653.37876	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"640307"	957.58256	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1138345"	349.17496	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"180541"	327.193018	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"616456"	479.294918	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1121781"	175.091118	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1404942"	117.063170666667	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1433778"	351.216546	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"225657"	332.22604	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1513720"	365.26859	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"413411"	335.179988	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"771126"	487.281888	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1667455"	183.078088	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"261634"	672.423368	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1234343"	368.219568	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1724324"	368.243093	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1191868"	124.390484666667	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1660303"	373.198488	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"169355"	685.32664	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"605269"	989.53044	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1092695"	381.12284	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"149511"	343.166958	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"586888"	495.268858	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1075778"	191.065058	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1107895"	383.137392	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1340996"	383.225007	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1014991"	387.264176	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1530929"	388.257808	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"997376"	194.135726	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1594068"	389.172428	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1419731"	419.203938	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1151111"	214.649001	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1707228"	436.230485	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1639598"	441.18588	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1583999"	457.15982	"C15286"	"4beta5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta5beta-Epoxytestosterone"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"807804"	316.2038	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M"	0
"984620"	297.18541	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"66300"	209.795257333333	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"514612"	315.196524	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"889133"	104.393990666667	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"14516"	315.196524	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"454928"	473.298424	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"832610"	157.094624	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"90532"	631.400324	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"529004"	947.604124	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"910573"	315.196524	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"58996"	648.426871	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"501836"	964.630671	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"877092"	332.223071	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"44262"	653.382266	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"485279"	969.586066	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"861621"	337.178466	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1626779"	337.178466	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"105497"	333.184863	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"541782"	491.286763	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"937483"	175.082963	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"279321"	667.377002	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"673928"	983.580802	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1281955"	351.173202	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"25609"	669.356206	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"469181"	985.560006	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"846987"	353.152406	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1564277"	353.152406	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"952157"	361.201994	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"371465"	677.405801	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"356078"	691.421451	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1504547"	375.217651	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"966255"	383.183951	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"118441"	351.173202	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"556910"	509.275102	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1025708"	193.071302	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1244193"	395.122685	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1312108"	397.178672	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1331791"	419.160629	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"914101"	429.189386	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1294092"	465.166064	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1378456"	281.191124	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1391944"	299.2011	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"289441"	633.414876	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"680767"	949.618676	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1356022"	317.211076	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"134378"	317.211076	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"570660"	475.312976	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1041643"	159.109176	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"206628"	211.809809333333	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"646920"	317.211076	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1162897"	106.408542666667	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"426131"	650.441423	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"785827"	966.645223	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1681998"	334.237623	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"332829"	325.7243495	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"726707"	483.8262495	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1478705"	167.6224495	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"399945"	655.396818	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"762032"	971.600618	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1612326"	339.193018	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"323457"	328.202047	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"716974"	486.303947	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1469701"	170.100147	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1064040"	113.735856666667	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1265717"	349.237286	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"386478"	671.370758	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"744191"	987.574558	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1542963"	355.166958	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"299777"	336.189017	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"706057"	494.290917	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1458422"	178.087117	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"249573"	674.441426	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1223988"	358.237626	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1207993"	179.622451	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"203295"	677.37876	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"643219"	993.58256	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1145627"	361.17496	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"185756"	339.193018	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"615474"	497.294918	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1121896"	181.091118	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1401045"	121.063170666667	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1432794"	363.216546	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"224678"	344.22604	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1512736"	377.26859	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"411334"	347.179988	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"770989"	505.281888	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1666227"	189.078088	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"261745"	696.423368	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1236642"	380.219568	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1725166"	380.243093	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1190885"	128.390484666667	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1660781"	385.198488	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"169466"	709.32664	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"608293"	1025.53044	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1090624"	393.12284	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"149628"	355.166958	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"590283"	513.268858	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1079171"	197.065058	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1108005"	395.137392	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1345483"	395.225007	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1014009"	399.264176	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1529946"	400.257808	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"997493"	200.135726	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1593086"	401.172428	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1419841"	431.203938	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1153411"	220.649001	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1707338"	448.230485	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1642988"	453.18588	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1584109"	469.15982	"C15287"	"11beta17beta-Dihydroxy-17alpha-methylandrosta-14-dien-3-one"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"802202"	292.2402	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M"	0
"979261"	273.22181	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H2O-H"	-19.01839
"65316"	193.819524	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-3H"	-3.021828
"514722"	291.232924	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-3H"	-3.021828
"889243"	96.406124	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-3H"	-3.021828
"15314"	291.232924	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H"	-2.014552
"455487"	437.353024	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H"	-2.014552
"831750"	145.112824	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H"	-2.014552
"92833"	583.473124	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-H"	-1.007276
"531299"	875.713324	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-H"	-1.007276
"906916"	291.232924	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H"	-1.007276
"61049"	600.499671	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+NH4"	16.019271
"501704"	892.739871	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+NH4"	16.019271
"877566"	308.259471	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+NH4"	16.019271
"45100"	605.455066	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+Na"	20.974666
"482837"	897.695266	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+Na"	20.974666
"860638"	313.214866	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+Na"	20.974666
"1627983"	313.214866	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na-2H"	20.974666
"104514"	309.221263	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-H+Cl"	33.962126
"547361"	455.341363	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-H+Cl"	33.962126
"939781"	163.101163	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+Cl"	33.962126
"280161"	619.449802	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Cl"	34.969402
"672946"	911.690002	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+Cl"	34.969402
"1282065"	327.209602	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl"	34.969402
"25719"	621.429006	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M-2H+K"	36.948606
"470384"	913.669206	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M-2H+K"	36.948606
"847094"	329.188806	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-2H+K"	36.948606
"1569854"	329.188806	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K-2H"	36.948606
"952268"	337.238394	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+HCOOH"	44.998194
"368294"	629.478601	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+HCOOH-H"	44.998201
"353272"	643.494251	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Hac-H"	59.013851
"1503926"	351.254051	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Hac-H"	59.013851
"967094"	359.220351	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+NaCOOH"	66.980151
"118551"	327.209602	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Cl"	69.938804
"557020"	473.329702	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Cl"	69.938804
"1030192"	181.089502	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2Cl"	69.938804
"1246490"	371.159085	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Br"	78.918885
"1316592"	373.215072	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+HCOOH"	80.974872
"1330808"	395.197029	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+NaCOOH"	102.956829
"915306"	405.225786	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M-H+CF3COOH"	112.985586
"1293109"	441.202464	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Cl+CF3COOH"	148.962264
"1375650"	257.227524	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H-2H2O"	-35.012676
"1393877"	275.2375	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H-H2O"	-17.0027
"287364"	585.487676	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H"	1.007276
"676504"	877.727876	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H"	1.007276
"1352852"	293.247476	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H"	1.007276
"131208"	293.247476	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2H"	2.014552
"568947"	439.367576	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2H"	2.014552
"1040659"	147.127376	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2H"	2.014552
"206376"	195.834076	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+3H"	3.021828
"647029"	293.247476	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+3H"	3.021828
"1167341"	98.420676	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+3H"	3.021828
"429157"	602.514223	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+NH4"	18.033823
"789788"	894.754423	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+NH4"	18.033823
"1684295"	310.274023	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4"	18.033823
"336583"	301.7607495	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+NH4"	19.041099
"728642"	447.8808495	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+NH4"	19.041099
"1480636"	155.6406495	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+NH4"	19.041099
"396772"	607.469618	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Na"	22.989218
"757767"	899.709818	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+Na"	22.989218
"1612436"	315.229418	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na"	22.989218
"322474"	304.238447	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+Na"	23.996494
"715991"	450.358547	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+Na"	23.996494
"1467625"	158.118347	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+Na"	23.996494
"1063057"	105.74799	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2H+Na"	25.00377
"1264734"	325.273686	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+CH3OH+H"	33.033486
"382216"	623.443558	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+K"	38.963158
"743208"	915.683758	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+K"	38.963158
"1541372"	331.203358	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K"	38.963158
"299887"	312.225417	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+H+K"	39.970434
"703618"	458.345517	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+H+K"	39.970434
"1458531"	166.105317	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+K"	39.970434
"248954"	626.514226	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+ACN+H"	42.033826
"1224582"	334.274026	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+H"	42.033826
"1207008"	167.640651	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+2H"	43.041102
"203405"	629.45156	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Na-H"	44.97116
"644022"	921.69176	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Na-H"	44.97116
"1146221"	337.21136	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2Na-H"	44.97116
"185137"	315.229418	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2Na"	45.978436
"616313"	461.349518	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2Na"	45.978436
"1119819"	169.109318	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2Na"	45.978436
"1401154"	113.075304	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+2Na"	46.985712
"1433997"	339.252946	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+HCOOH"	47.012746
"224787"	320.26244	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+3H2O+2H"	56.04448
"1511753"	353.30499	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+H"	61.06479
"412537"	323.216388	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+Na+K"	61.952376
"770855"	469.336488	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+Na+K"	61.952376
"1666700"	177.096288	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+K"	61.952376
"261855"	648.496168	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+ACN+Na"	64.015768
"1235658"	356.255968	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+ACN+Na"	64.015768
"1724180"	356.279493	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4+HCOOH"	64.039293
"1190991"	120.402618	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+3Na"	68.967654
"1658696"	361.234888	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+HCOOH"	68.994688
"167747"	661.39944	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2K-H"	76.91904
"606214"	953.63964	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2K-H"	76.91904
"1090725"	369.15924	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2K-H"	76.91904
"146449"	331.203358	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"2M+2K"	77.926316
"588198"	477.323458	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"3M+2K"	77.926316
"1075995"	185.083258	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2K"	77.926316
"1100569"	371.173792	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2K+H"	78.933592
"1337201"	371.261407	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+DMSO+H"	79.021207
"1010841"	375.300576	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2ACN+H"	83.060376
"1528966"	376.294208	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+IsoProp+Na+H"	84.054008
"994320"	188.153926	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+2ACN+2H"	84.067652
"1593196"	377.208828	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K+HCOOH"	84.968628
"1418853"	407.240338	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+H+CF3COOH"	115.000138
"1154614"	208.667201	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+3ACN+2H"	125.094202
"1706355"	424.266885	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+NH4+CF3COOH"	132.026685
"1643098"	429.22228	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+Na+CF3COOH"	136.98208
"1584219"	445.19622	"C15288"	"5alpha-Androstane-11beta17beta-diol"	"C19H32O2"	"292.2402"	"M+K+CF3COOH"	152.95602
"804743"	416.2563	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M"	0
"979371"	397.23791	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-H2O-H"	-19.01839
"67612"	276.496924	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M-3H"	-3.021828
"511552"	415.249024	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M-3H"	-3.021828
"886073"	137.744824	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-3H"	-3.021828
"15424"	415.249024	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M-2H"	-2.014552
"455318"	623.377174	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M-2H"	-2.014552
"832675"	207.120874	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-2H"	-2.014552
"94118"	831.505324	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M-H"	-1.007276
"531775"	1247.761624	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M-H"	-1.007276
"909820"	415.249024	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-H"	-1.007276
"62253"	848.531871	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M-2H+NH4"	16.019271
"502259"	1264.788171	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M-2H+NH4"	16.019271
"877311"	432.275571	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-2H+NH4"	16.019271
"45816"	853.487266	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M-2H+Na"	20.974666
"484041"	1269.743566	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M-2H+Na"	20.974666
"860749"	437.230966	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-2H+Na"	20.974666
"1626999"	437.230966	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Na-2H"	20.974666
"105717"	433.237363	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M-H+Cl"	33.962126
"546378"	641.365513	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M-H+Cl"	33.962126
"940984"	225.109213	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-H+Cl"	33.962126
"280635"	867.482002	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+Cl"	34.969402
"675647"	1283.738302	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+Cl"	34.969402
"1284362"	451.225702	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Cl"	34.969402
"25829"	869.461206	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M-2H+K"	36.948606
"470494"	1285.717506	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M-2H+K"	36.948606
"845382"	453.204906	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-2H+K"	36.948606
"1567777"	453.204906	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+K-2H"	36.948606
"952378"	461.254494	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-H+HCOOH"	44.998194
"368404"	877.510801	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+HCOOH-H"	44.998201
"350101"	891.526451	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+Hac-H"	59.013851
"1504036"	475.270151	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Hac-H"	59.013851
"962100"	483.236451	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-H+NaCOOH"	66.980151
"118661"	451.225702	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+2Cl"	69.938804
"557130"	659.353852	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+2Cl"	69.938804
"1031395"	243.097552	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2Cl"	69.938804
"1248787"	495.175185	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Br"	78.918885
"1318889"	497.231172	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Cl+HCOOH"	80.974872
"1332011"	519.213129	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Cl+NaCOOH"	102.956829
"918696"	529.241886	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M-H+CF3COOH"	112.985586
"1294312"	565.218564	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Cl+CF3COOH"	148.962264
"1380863"	381.243624	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H-2H2O"	-35.012676
"1394350"	399.2536	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H-H2O"	-17.0027
"291848"	833.519876	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+H"	1.007276
"679894"	1249.776176	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+H"	1.007276
"1356242"	417.263576	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H"	1.007276
"134598"	417.263576	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+2H"	2.014552
"570152"	625.391726	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+2H"	2.014552
"1041864"	209.135426	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2H"	2.014552
"210861"	278.511476	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+3H"	3.021828
"648962"	417.263576	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+3H"	3.021828
"1171827"	139.759376	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+3H"	3.021828
"430724"	850.546423	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+NH4"	18.033823
"792816"	1266.802723	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+NH4"	18.033823
"1692426"	434.290123	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+NH4"	18.033823
"339611"	425.7768495	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+H+NH4"	19.041099
"732033"	633.9049995	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+H+NH4"	19.041099
"1480747"	217.6486995	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H+NH4"	19.041099
"396882"	855.501818	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+Na"	22.989218
"757148"	1271.758118	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+Na"	22.989218
"1613639"	439.245518	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Na"	22.989218
"325863"	428.254547	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+H+Na"	23.996494
"718288"	636.382697	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+H+Na"	23.996494
"1473201"	220.126397	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H+Na"	23.996494
"1063167"	147.08669	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2H+Na"	25.00377
"1268123"	449.289786	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+CH3OH+H"	33.033486
"389981"	871.475758	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+K"	38.963158
"749879"	1287.732058	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+K"	38.963158
"1548652"	455.219458	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+K"	38.963158
"306922"	436.241517	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+H+K"	39.970434
"698249"	644.369667	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+H+K"	39.970434
"1459006"	228.113367	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H+K"	39.970434
"249793"	874.546426	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+ACN+H"	42.033826
"1224691"	458.290126	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+ACN+H"	42.033826
"1209713"	229.648701	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+ACN+2H"	43.041102
"204054"	877.48376	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+2Na-H"	44.97116
"641368"	1293.74006	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+2Na-H"	44.97116
"1145238"	461.22746	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2Na-H"	44.97116
"182330"	439.245518	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+2Na"	45.978436
"616423"	647.373668	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+2Na"	45.978436
"1120658"	231.117368	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2Na"	45.978436
"1401993"	154.414004	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H+2Na"	46.985712
"1435202"	463.269046	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H+HCOOH"	47.012746
"224897"	444.27854	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+3H2O+2H"	56.04448
"1512958"	477.32109	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+IsoProp+H"	61.06479
"410825"	447.232488	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+Na+K"	61.952376
"772910"	655.360638	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+Na+K"	61.952376
"1669241"	239.104338	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Na+K"	61.952376
"258686"	896.528368	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+ACN+Na"	64.015768
"1237955"	480.272068	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+ACN+Na"	64.015768
"1722466"	480.295593	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+NH4+HCOOH"	64.039293
"1190007"	161.741318	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+3Na"	68.967654
"1657713"	485.250988	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Na+HCOOH"	68.994688
"168950"	909.43164	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+2K-H"	76.91904
"606322"	1325.68794	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+2K-H"	76.91904
"1089742"	493.17534	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2K-H"	76.91904
"147657"	455.219458	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"2M+2K"	77.926316
"588312"	663.347608	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"3M+2K"	77.926316
"1077196"	247.091308	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2K"	77.926316
"1106031"	495.189892	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2K+H"	78.933592
"1340229"	495.277507	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+DMSO+H"	79.021207
"1010951"	499.316676	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2ACN+H"	83.060376
"1530170"	500.310308	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+IsoProp+Na+H"	84.054008
"995523"	250.161976	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+2ACN+2H"	84.067652
"1593306"	501.224928	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+K+HCOOH"	84.968628
"1422244"	531.256438	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+H+CF3COOH"	115.000138
"1151441"	270.675251	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+3ACN+2H"	125.094202
"1699902"	548.282985	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+NH4+CF3COOH"	132.026685
"1642115"	553.23838	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+Na+CF3COOH"	136.98208
"1584329"	569.21232	"C15289"	"16alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate"	"C25H36O5"	"416.2563"	"M+K+CF3COOH"	152.95602
"804853"	416.2563	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M"	0
"978388"	397.23791	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-H2O-H"	-19.01839
"65536"	276.496924	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M-3H"	-3.021828
"511662"	415.249024	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M-3H"	-3.021828
"891287"	137.744824	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-3H"	-3.021828
"12414"	415.249024	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M-2H"	-2.014552
"453799"	623.377174	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M-2H"	-2.014552
"831601"	207.120874	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-2H"	-2.014552
"91592"	831.505324	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M-H"	-1.007276
"532128"	1247.761624	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M-H"	-1.007276
"909201"	415.249024	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-H"	-1.007276
"60298"	848.531871	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M-2H+NH4"	16.019271
"500829"	1264.788171	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M-2H+NH4"	16.019271
"877421"	432.275571	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-2H+NH4"	16.019271
"42403"	853.487266	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M-2H+Na"	20.974666
"485245"	1269.743566	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M-2H+Na"	20.974666
"859766"	437.230966	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-2H+Na"	20.974666
"1624193"	437.230966	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Na-2H"	20.974666
"99267"	433.237363	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M-H+Cl"	33.962126
"544299"	641.365513	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M-H+Cl"	33.962126
"941094"	225.109213	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-H+Cl"	33.962126
"282326"	867.482002	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+Cl"	34.969402
"674988"	1283.738302	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+Cl"	34.969402
"1281193"	451.225702	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Cl"	34.969402
"27032"	869.461206	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M-2H+K"	36.948606
"470241"	1285.717506	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M-2H+K"	36.948606
"844399"	453.204906	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-2H+K"	36.948606
"1567887"	453.204906	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+K-2H"	36.948606
"952488"	461.254494	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-H+HCOOH"	44.998194
"369607"	877.510801	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+HCOOH-H"	44.998201
"350211"	891.526451	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+Hac-H"	59.013851
"1504146"	475.270151	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Hac-H"	59.013851
"961117"	483.236451	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-H+NaCOOH"	66.980151
"117678"	451.225702	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+2Cl"	69.938804
"560521"	659.353852	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+2Cl"	69.938804
"1029320"	243.097552	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2Cl"	69.938804
"1247804"	495.175185	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Br"	78.918885
"1316812"	497.231172	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Cl+HCOOH"	80.974872
"1333215"	519.213129	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Cl+NaCOOH"	102.956829
"920993"	529.241886	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M-H+CF3COOH"	112.985586
"1294423"	565.218564	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Cl+CF3COOH"	148.962264
"1375870"	381.243624	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H-2H2O"	-35.012676
"1392273"	399.2536	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H-H2O"	-17.0027
"288678"	833.519876	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+H"	1.007276
"676725"	1249.776176	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+H"	1.007276
"1352100"	417.263576	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H"	1.007276
"129241"	417.263576	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+2H"	2.014552
"569169"	625.391726	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+2H"	2.014552
"1039787"	209.135426	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2H"	2.014552
"208784"	278.511476	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+3H"	3.021828
"647979"	417.263576	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+3H"	3.021828
"1168656"	139.759376	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+3H"	3.021828
"429740"	850.546423	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+NH4"	18.033823
"790739"	1266.802723	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+NH4"	18.033823
"1688162"	434.290123	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+NH4"	18.033823
"336441"	425.7768495	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+H+NH4"	19.041099
"727770"	633.9049995	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+H+NH4"	19.041099
"1480492"	217.6486995	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H+NH4"	19.041099
"395899"	855.501818	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+Na"	22.989218
"755800"	1271.758118	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+Na"	22.989218
"1612656"	439.245518	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Na"	22.989218
"322694"	428.254547	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+H+Na"	23.996494
"712931"	636.382697	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+H+Na"	23.996494
"1470027"	220.126397	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H+Na"	23.996494
"1061086"	147.08669	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2H+Na"	25.00377
"1263857"	449.289786	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+CH3OH+H"	33.033486
"384619"	871.475758	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+K"	38.963158
"747803"	1287.732058	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+K"	38.963158
"1545482"	455.219458	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+K"	38.963158
"307033"	436.241517	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+H+K"	39.970434
"697266"	644.369667	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+H+K"	39.970434
"1458389"	228.113367	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H+K"	39.970434
"249174"	874.546426	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+ACN+H"	42.033826
"1224071"	458.290126	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+ACN+H"	42.033826
"1208321"	229.648701	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+ACN+2H"	43.041102
"203256"	877.48376	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+2Na-H"	44.97116
"639655"	1293.74006	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+2Na-H"	44.97116
"1142796"	461.22746	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2Na-H"	44.97116
"180982"	439.245518	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+2Na"	45.978436
"616533"	647.373668	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+2Na"	45.978436
"1120768"	231.117368	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2Na"	45.978436
"1403197"	154.414004	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H+2Na"	46.985712
"1435312"	463.269046	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H+HCOOH"	47.012746
"223185"	444.27854	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+3H2O+2H"	56.04448
"1513068"	477.32109	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+IsoProp+H"	61.06479
"409113"	447.232488	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+Na+K"	61.952376
"770833"	655.360638	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+Na+K"	61.952376
"1666437"	239.104338	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Na+K"	61.952376
"260981"	896.528368	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+ACN+Na"	64.015768
"1235877"	480.272068	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+ACN+Na"	64.015768
"1716014"	480.295593	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+NH4+HCOOH"	64.039293
"1184650"	161.741318	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+3Na"	68.967654
"1661105"	485.250988	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Na+HCOOH"	68.994688
"167603"	909.43164	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+2K-H"	76.91904
"604248"	1325.68794	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+2K-H"	76.91904
"1086937"	493.17534	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2K-H"	76.91904
"142294"	455.219458	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"2M+2K"	77.926316
"586236"	663.347608	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"3M+2K"	77.926316
"1076213"	247.091308	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2K"	77.926316
"1105048"	495.189892	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2K+H"	78.933592
"1342526"	495.277507	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+DMSO+H"	79.021207
"1012153"	499.316676	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2ACN+H"	83.060376
"1529186"	500.310308	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+IsoProp+Na+H"	84.054008
"994540"	250.161976	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+2ACN+2H"	84.067652
"1591229"	501.224928	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+K+HCOOH"	84.968628
"1417981"	531.256438	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+H+CF3COOH"	115.000138
"1151552"	270.675251	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+3ACN+2H"	125.094202
"1700012"	548.282985	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+NH4+CF3COOH"	132.026685
"1634570"	553.23838	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+Na+CF3COOH"	136.98208
"1581159"	569.21232	"C15290"	"2alpha17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipropionate"	"C25H36O5"	"416.2563"	"M+K+CF3COOH"	152.95602
"802411"	378.2042	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M"	0
"978498"	359.18581	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-H2O-H"	-19.01839
"66010"	251.128857333333	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M-3H"	-3.021828
"511772"	377.196924	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M-3H"	-3.021828
"892490"	125.060790666667	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-3H"	-3.021828
"12524"	377.196924	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M-2H"	-2.014552
"454763"	566.299024	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M-2H"	-2.014552
"831470"	188.094824	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-2H"	-2.014552
"93526"	755.401124	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M-H"	-1.007276
"531996"	1133.605324	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M-H"	-1.007276
"908218"	377.196924	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-H"	-1.007276
"59435"	772.427671	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M-2H+NH4"	16.019271
"498874"	1150.631871	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M-2H+NH4"	16.019271
"876801"	394.223471	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-2H+NH4"	16.019271
"45064"	777.383066	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M-2H+Na"	20.974666
"484991"	1155.587266	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M-2H+Na"	20.974666
"859876"	399.178866	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-2H+Na"	20.974666
"1623939"	399.178866	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Na-2H"	20.974666
"99377"	395.185263	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M-H+Cl"	33.962126
"536748"	584.287363	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M-H+Cl"	33.962126
"937924"	206.083163	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-H+Cl"	33.962126
"278667"	791.377802	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+Cl"	34.969402
"673275"	1169.582002	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+Cl"	34.969402
"1279116"	413.173602	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Cl"	34.969402
"22769"	793.357006	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M-2H+K"	36.948606
"466704"	1171.561206	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M-2H+K"	36.948606
"845238"	415.152806	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-2H+K"	36.948606
"1566904"	415.152806	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+K-2H"	36.948606
"953327"	423.202394	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-H+HCOOH"	44.998194
"368624"	801.406601	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+HCOOH-H"	44.998201
"350321"	815.422251	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+Hac-H"	59.013851
"1504256"	437.218051	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Hac-H"	59.013851
"961227"	445.184351	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-H+NaCOOH"	66.980151
"117788"	413.173602	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+2Cl"	69.938804
"559538"	602.275702	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+2Cl"	69.938804
"1030523"	224.071502	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2Cl"	69.938804
"1249007"	457.123085	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Br"	78.918885
"1316922"	459.179072	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Cl+HCOOH"	80.974872
"1334296"	481.161029	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Cl+NaCOOH"	102.956829
"918916"	491.189786	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M-H+CF3COOH"	112.985586
"1294533"	527.166464	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Cl+CF3COOH"	148.962264
"1374887"	343.191524	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H-2H2O"	-35.012676
"1385822"	361.2015	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H-H2O"	-17.0027
"287694"	757.415676	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+H"	1.007276
"683395"	1135.619876	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+H"	1.007276
"1353182"	379.211476	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H"	1.007276
"133725"	379.211476	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+2H"	2.014552
"568913"	568.313576	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+2H"	2.014552
"1040991"	190.109376	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2H"	2.014552
"208164"	253.143409333333	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+3H"	3.021828
"646632"	379.211476	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+3H"	3.021828
"1166580"	127.075342666667	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+3H"	3.021828
"426936"	774.442223	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+NH4"	18.033823
"789024"	1152.646423	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+NH4"	18.033823
"1690459"	396.238023	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+NH4"	18.033823
"339832"	387.7247495	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+H+NH4"	19.041099
"727515"	576.8268495	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+H+NH4"	19.041099
"1482788"	198.6226495	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H+NH4"	19.041099
"397102"	779.397618	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+Na"	22.989218
"755908"	1157.601818	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+Na"	22.989218
"1611673"	401.193418	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Na"	22.989218
"324989"	390.202447	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+H+Na"	23.996494
"715226"	579.304547	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+H+Na"	23.996494
"1470136"	201.100347	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H+Na"	23.996494
"1059009"	134.402656666667	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2H+Na"	25.00377
"1260686"	411.237686	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+CH3OH+H"	33.033486
"380356"	795.371558	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+K"	38.963158
"745726"	1173.575758	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+K"	38.963158
"1543405"	417.167358	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+K"	38.963158
"308236"	398.189417	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+H+K"	39.970434
"694459"	587.291517	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+H+K"	39.970434
"1460079"	209.087317	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H+K"	39.970434
"248556"	798.442226	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+ACN+H"	42.033826
"1223817"	420.238026	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+ACN+H"	42.033826
"1206974"	210.622651	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+ACN+2H"	43.041102
"202030"	801.37956	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+2Na-H"	44.97116
"639401"	1179.58376	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+2Na-H"	44.97116
"1143999"	423.17536	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2Na-H"	44.97116
"178905"	401.193418	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+2Na"	45.978436
"615550"	590.295518	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+2Na"	45.978436
"1120149"	212.091318	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2Na"	45.978436
"1403307"	141.729970666667	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H+2Na"	46.985712
"1434328"	425.216946	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H+HCOOH"	47.012746
"223295"	406.22644	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+3H2O+2H"	56.04448
"1513178"	439.26899	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+IsoProp+H"	61.06479
"411774"	409.180388	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+Na+K"	61.952376
"772036"	598.282488	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+Na+K"	61.952376
"1669462"	220.078288	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Na+K"	61.952376
"259997"	820.424168	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+ACN+Na"	64.015768
"1231612"	442.219968	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+ACN+Na"	64.015768
"1716120"	442.243493	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+NH4+HCOOH"	64.039293
"1181478"	149.057284666667	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+3Na"	68.967654
"1653919"	447.198888	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Na+HCOOH"	68.994688
"161873"	833.32744	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+2K-H"	76.91904
"602164"	1211.53164	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+2K-H"	76.91904
"1088861"	455.12324	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2K-H"	76.91904
"147866"	417.167358	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"2M+2K"	77.926316
"585238"	606.269458	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"3M+2K"	77.926316
"1071209"	228.065258	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2K"	77.926316
"1101142"	457.137792	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2K+H"	78.933592
"1337643"	457.225407	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+DMSO+H"	79.021207
"1013354"	461.264576	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2ACN+H"	83.060376
"1529295"	462.258208	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+IsoProp+Na+H"	84.054008
"992460"	231.135926	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+2ACN+2H"	84.067652
"1590244"	463.172828	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+K+HCOOH"	84.968628
"1416267"	493.204338	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+H+CF3COOH"	115.000138
"1151662"	251.649201	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+3ACN+2H"	125.094202
"1700122"	510.230885	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+NH4+CF3COOH"	132.026685
"1637960"	515.18628	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+Na+CF3COOH"	136.98208
"1581269"	531.16022	"C15291"	"6alpha-Hydroxycortisol;6alpha11beta1721-Tetrahydroxypregn-4-ene-320-dione"	"C21H30O6"	"378.2042"	"M+K+CF3COOH"	152.95602
"802156"	372.3392	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M"	0
"978608"	353.32081	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-H2O-H"	-19.01839
"66849"	247.218857333333	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M-3H"	-3.021828
"511882"	371.331924	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M-3H"	-3.021828
"892964"	123.105790666667	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-3H"	-3.021828
"14822"	371.331924	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M-2H"	-2.014552
"453898"	557.501524	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M-2H"	-2.014552
"831701"	185.162324	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-2H"	-2.014552
"93393"	743.671124	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M-H"	-1.007276
"529554"	1116.010324	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M-H"	-1.007276
"906992"	371.331924	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-H"	-1.007276
"59424"	760.697671	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M-2H+NH4"	16.019271
"498984"	1133.036871	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M-2H+NH4"	16.019271
"875818"	388.358471	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-2H+NH4"	16.019271
"42623"	765.653066	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M-2H+Na"	20.974666
"484007"	1137.992266	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M-2H+Na"	20.974666
"859986"	393.313866	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-2H+Na"	20.974666
"1624049"	393.313866	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Na-2H"	20.974666
"101673"	389.320263	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M-H+Cl"	33.962126
"536130"	575.489863	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M-H+Cl"	33.962126
"936941"	203.150663	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-H+Cl"	33.962126
"280480"	779.647802	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+Cl"	34.969402
"673994"	1151.987002	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+Cl"	34.969402
"1282506"	407.308602	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Cl"	34.969402
"22880"	781.627006	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M-2H+K"	36.948606
"469003"	1153.966206	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M-2H+K"	36.948606
"841340"	409.287806	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-2H+K"	36.948606
"1562641"	409.287806	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+K-2H"	36.948606
"951615"	417.337394	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-H+HCOOH"	44.998194
"370921"	789.676601	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+HCOOH-H"	44.998201
"350431"	803.692251	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+Hac-H"	59.013851
"1503273"	431.353051	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Hac-H"	59.013851
"965710"	439.319351	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-H+NaCOOH"	66.980151
"120086"	407.308602	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+2Cl"	69.938804
"559650"	593.478202	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+2Cl"	69.938804
"1032821"	221.139002	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2Cl"	69.938804
"1253858"	451.258085	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Br"	78.918885
"1318491"	453.314072	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Cl+HCOOH"	80.974872
"1333436"	475.296029	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Cl+NaCOOH"	102.956829
"923400"	485.324786	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M-H+CF3COOH"	112.985586
"1300110"	521.301464	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Cl+CF3COOH"	148.962264
"1369530"	337.326524	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H-2H2O"	-35.012676
"1388118"	355.3365	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H-H2O"	-17.0027
"287804"	745.685676	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+H"	1.007276
"685692"	1118.024876	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+H"	1.007276
"1356574"	373.346476	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H"	1.007276
"133836"	373.346476	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+2H"	2.014552
"569751"	559.516076	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+2H"	2.014552
"1047662"	187.176876	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2H"	2.014552
"209731"	249.233409333333	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+3H"	3.021828
"650021"	373.346476	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+3H"	3.021828
"1172157"	125.120342666667	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+3H"	3.021828
"429963"	762.712223	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+NH4"	18.033823
"789134"	1135.051423	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+NH4"	18.033823
"1687653"	390.373023	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+NH4"	18.033823
"337755"	381.8597495	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+H+NH4"	19.041099
"728353"	568.0293495	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+H+NH4"	19.041099
"1483262"	195.6901495	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H+NH4"	19.041099
"396477"	767.667618	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+Na"	22.989218
"758201"	1140.006818	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+Na"	22.989218
"1606665"	395.328418	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Na"	22.989218
"314765"	384.337447	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+H+Na"	23.996494
"715336"	570.507047	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+H+Na"	23.996494
"1470246"	198.167847	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H+Na"	23.996494
"1060212"	132.447656666667	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2H+Na"	25.00377
"1260796"	405.372686	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+CH3OH+H"	33.033486
"380466"	783.641558	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+K"	38.963158
"749116"	1155.980758	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+K"	38.963158
"1545702"	411.302358	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+K"	38.963158
"308346"	392.324417	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+H+K"	39.970434
"694205"	578.494017	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+H+K"	39.970434
"1459340"	206.154817	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H+K"	39.970434
"248666"	786.712226	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+ACN+H"	42.033826
"1223927"	414.373026	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+ACN+H"	42.033826
"1207084"	207.690151	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+ACN+2H"	43.041102
"203357"	789.64956	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+2Na-H"	44.97116
"639147"	1161.98876	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+2Na-H"	44.97116
"1144838"	417.31036	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2Na-H"	44.97116
"181202"	395.328418	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+2Na"	45.978436
"616388"	581.498018	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+2Na"	45.978436
"1118800"	209.158818	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2Na"	45.978436
"1406698"	139.774970666667	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H+2Na"	46.985712
"1435531"	419.351946	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H+HCOOH"	47.012746
"227415"	400.36144	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+3H2O+2H"	56.04448
"1515475"	433.40399	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+IsoProp+H"	61.06479
"412977"	403.315388	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+Na+K"	61.952376
"775063"	589.484988	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+Na+K"	61.952376
"1670301"	217.145788	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Na+K"	61.952376
"257920"	808.694168	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+ACN+Na"	64.015768
"1229535"	436.354968	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+ACN+Na"	64.015768
"1717325"	436.378493	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+NH4+HCOOH"	64.039293
"1182681"	147.102284666667	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+3Na"	68.967654
"1654029"	441.333888	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Na+HCOOH"	68.994688
"162712"	821.59744	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+2K-H"	76.91904
"602638"	1193.93664	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+2K-H"	76.91904
"1091158"	449.25824	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2K-H"	76.91904
"147976"	411.302358	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"2M+2K"	77.926316
"585348"	597.471958	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"3M+2K"	77.926316
"1072049"	225.132758	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2K"	77.926316
"1101131"	451.272792	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2K+H"	78.933592
"1337512"	451.360407	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+DMSO+H"	79.021207
"1011276"	455.399576	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2ACN+H"	83.060376
"1528308"	456.393208	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+IsoProp+Na+H"	84.054008
"991108"	228.203426	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+2ACN+2H"	84.067652
"1587679"	457.307828	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+K+HCOOH"	84.968628
"1414237"	487.339338	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+H+CF3COOH"	115.000138
"1148126"	248.716701	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+3ACN+2H"	125.094202
"1700232"	504.365885	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+NH4+CF3COOH"	132.026685
"1638070"	509.32128	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+Na+CF3COOH"	136.98208
"1581379"	525.29522	"C15292"	"A-Nor-5alpha-cholestan-2-one"	"C26H44O"	"372.3392"	"M+K+CF3COOH"	152.95602
"803359"	286.1933	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M"	0
"975434"	267.17491	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-H2O-H"	-19.01839
"66958"	189.788257333333	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M-3H"	-3.021828
"511992"	285.186024	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M-3H"	-3.021828
"893074"	94.3904906666667	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-3H"	-3.021828
"15611"	285.186024	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M-2H"	-2.014552
"455550"	428.282674	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M-2H"	-2.014552
"831202"	142.089374	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-2H"	-2.014552
"93258"	571.379324	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M-H"	-1.007276
"530756"	857.572624	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M-H"	-1.007276
"910503"	285.186024	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-H"	-1.007276
"62086"	588.405871	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M-2H+NH4"	16.019271
"501645"	874.599171	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M-2H+NH4"	16.019271
"875926"	302.212571	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-2H+NH4"	16.019271
"42732"	593.361266	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M-2H+Na"	20.974666
"484481"	879.554566	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M-2H+Na"	20.974666
"861189"	307.167966	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-2H+Na"	20.974666
"1623430"	307.167966	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Na-2H"	20.974666
"102877"	303.174363	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M-H+Cl"	33.962126
"539520"	446.271013	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M-H+Cl"	33.962126
"937050"	160.077713	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-H+Cl"	33.962126
"275607"	607.356002	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+Cl"	34.969402
"672401"	893.549302	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+Cl"	34.969402
"1282616"	321.162702	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Cl"	34.969402
"22990"	609.335206	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M-2H+K"	36.948606
"470207"	895.528506	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M-2H+K"	36.948606
"842543"	323.141906	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-2H+K"	36.948606
"1562749"	323.141906	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+K-2H"	36.948606
"946256"	331.191494	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-H+HCOOH"	44.998194
"368844"	617.384801	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+HCOOH-H"	44.998201
"350540"	631.400451	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+Hac-H"	59.013851
"1503747"	345.207151	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Hac-H"	59.013851
"964728"	353.173451	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-H+NaCOOH"	66.980151
"118011"	321.162702	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+2Cl"	69.938804
"555388"	464.259352	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+2Cl"	69.938804
"1034026"	178.066052	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2Cl"	69.938804
"1254333"	365.112185	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Br"	78.918885
"1319575"	367.168172	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Cl+HCOOH"	80.974872
"1334889"	389.150129	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Cl+NaCOOH"	102.956829
"924970"	399.178886	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M-H+CF3COOH"	112.985586
"1303016"	435.155564	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Cl+CF3COOH"	148.962264
"1379480"	251.180624	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H-2H2O"	-35.012676
"1389321"	269.1906	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H-H2O"	-17.0027
"290101"	573.393876	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+H"	1.007276
"686895"	859.587176	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+H"	1.007276
"1359964"	287.200576	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H"	1.007276
"139051"	287.200576	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+2H"	2.014552
"574600"	430.297226	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+2H"	2.014552
"1050690"	144.103926	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2H"	2.014552
"213488"	191.802809333333	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+3H"	3.021828
"650495"	287.200576	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+3H"	3.021828
"1174819"	96.4050426666667	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+3H"	3.021828
"431166"	590.420423	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+NH4"	18.033823
"792161"	876.613723	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+NH4"	18.033823
"1690680"	304.227123	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+NH4"	18.033823
"339688"	295.7138495	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+H+NH4"	19.041099
"731381"	438.8104995	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+H+NH4"	19.041099
"1484104"	152.6171995	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H+NH4"	19.041099
"397318"	595.375818	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+Na"	22.989218
"760499"	881.569118	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+Na"	22.989218
"1615159"	309.182518	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Na"	22.989218
"316456"	298.191547	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+H+Na"	23.996494
"718725"	441.288197	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+H+Na"	23.996494
"1470356"	155.094897	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H+Na"	23.996494
"1060322"	103.732356666667	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2H+Na"	25.00377
"1261999"	319.226786	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+CH3OH+H"	33.033486
"382762"	611.349758	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+K"	38.963158
"749226"	897.543058	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+K"	38.963158
"1540829"	325.156458	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+K"	38.963158
"306268"	306.178517	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+H+K"	39.970434
"695408"	449.275167	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+H+K"	39.970434
"1458721"	163.081867	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H+K"	39.970434
"248047"	614.420426	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+ACN+H"	42.033826
"1224888"	328.227126	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+ACN+H"	42.033826
"1208654"	164.617201	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+ACN+2H"	43.041102
"200426"	617.35776	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+2Na-H"	44.97116
"637797"	903.55106	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+2Na-H"	44.97116
"1140208"	331.16446	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2Na-H"	44.97116
"182404"	309.182518	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+2Na"	45.978436
"617956"	452.279168	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+2Na"	45.978436
"1122192"	166.085868	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2Na"	45.978436
"1410088"	111.059670666667	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H+2Na"	46.985712
"1440016"	333.206046	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H+HCOOH"	47.012746
"230806"	314.21554	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+3H2O+2H"	56.04448
"1517774"	347.25809	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+IsoProp+H"	61.06479
"414545"	317.169488	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+Na+K"	61.952376
"776267"	460.266138	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+Na+K"	61.952376
"1672597"	174.072838	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Na+K"	61.952376
"256937"	636.402368	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+ACN+Na"	64.015768
"1230738"	350.209068	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+ACN+Na"	64.015768
"1718893"	350.232593	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+NH4+HCOOH"	64.039293
"1186068"	118.386984666667	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+3Na"	68.967654
"1658149"	355.187988	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Na+HCOOH"	68.994688
"163916"	649.30564	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+2K-H"	76.91904
"605662"	935.49894	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+2K-H"	76.91904
"1093456"	363.11234	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2K-H"	76.91904
"148086"	325.156458	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"2M+2K"	77.926316
"585460"	468.253108	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"3M+2K"	77.926316
"1076535"	182.059808	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2K"	77.926316
"1102211"	365.126892	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2K+H"	78.933592
"1337137"	365.214507	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+DMSO+H"	79.021207
"1008097"	369.253676	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2ACN+H"	83.060376
"1526344"	370.247308	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+IsoProp+Na+H"	84.054008
"990855"	185.130476	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+2ACN+2H"	84.067652
"1590463"	371.161928	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+K+HCOOH"	84.968628
"1416487"	401.193438	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+H+CF3COOH"	115.000138
"1147872"	205.643751	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+3ACN+2H"	125.094202
"1698518"	418.219985	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+NH4+CF3COOH"	132.026685
"1635021"	423.17538	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+Na+CF3COOH"	136.98208
"1581489"	439.14932	"C15293"	"17beta-Hydroxyandrosta-49(11)-dien-3-one;9(11)-Dehydrotestosterone"	"C19H26O2"	"286.1933"	"M+K+CF3COOH"	152.95602
"810761"	473.4022	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M"	0
"974817"	454.38381	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-H2O-H"	-19.01839
"63788"	314.594190666667	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M-3H"	-3.021828
"511009"	472.394924	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M-3H"	-3.021828
"886623"	156.793457333333	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-3H"	-3.021828
"13948"	472.394924	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M-2H"	-2.014552
"455211"	709.096024	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M-2H"	-2.014552
"831312"	235.693824	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-2H"	-2.014552
"92396"	945.797124	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M-H"	-1.007276
"530866"	1419.199324	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M-H"	-1.007276
"907576"	472.394924	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-H"	-1.007276
"60857"	962.823671	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M-2H+NH4"	16.019271
"501510"	1436.225871	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M-2H+NH4"	16.019271
"876036"	489.421471	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-2H+NH4"	16.019271
"43937"	967.779066	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M-2H+Na"	20.974666
"484591"	1441.181266	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M-2H+Na"	20.974666
"860206"	494.376866	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-2H+Na"	20.974666
"1626456"	494.376866	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Na-2H"	20.974666
"102987"	490.383263	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M-H+Cl"	33.962126
"534890"	727.084363	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M-H+Cl"	33.962126
"937158"	253.682163	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-H+Cl"	33.962126
"272434"	981.773802	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+Cl"	34.969402
"663761"	1455.176002	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+Cl"	34.969402
"1275070"	508.371602	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Cl"	34.969402
"23100"	983.753006	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M-2H+K"	36.948606
"470316"	1457.155206	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M-2H+K"	36.948606
"844839"	510.350806	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-2H+K"	36.948606
"1560672"	510.350806	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+K-2H"	36.948606
"947458"	518.400394	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-H+HCOOH"	44.998194
"366767"	991.802601	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+HCOOH-H"	44.998201
"348827"	1005.818251	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+Hac-H"	59.013851
"1501670"	532.416051	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Hac-H"	59.013851
"965931"	540.382351	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-H+NaCOOH"	66.980151
"119214"	508.371602	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+2Cl"	69.938804
"556591"	745.072702	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+2Cl"	69.938804
"1035595"	271.670502	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2Cl"	69.938804
"1256388"	552.321085	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Br"	78.918885
"1319080"	554.377072	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Cl+HCOOH"	80.974872
"1333298"	576.359029	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Cl+NaCOOH"	102.956829
"925812"	586.387786	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M-H+CF3COOH"	112.985586
"1301425"	622.364464	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Cl+CF3COOH"	148.962264
"1377404"	438.389524	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H-2H2O"	-35.012676
"1392712"	456.3995	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H-H2O"	-17.0027
"289119"	947.811676	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+H"	1.007276
"683727"	1421.213876	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+H"	1.007276
"1354608"	474.409476	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H"	1.007276
"134057"	474.409476	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+2H"	2.014552
"574710"	711.110576	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+2H"	2.014552
"1050680"	237.708376	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2H"	2.014552
"212505"	316.608742666667	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+3H"	3.021828
"652063"	474.409476	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+3H"	3.021828
"1173471"	158.808009333333	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+3H"	3.021828
"429090"	964.838223	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+NH4"	18.033823
"790812"	1438.240423	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+NH4"	18.033823
"1687142"	491.436023	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+NH4"	18.033823
"337975"	482.9227495	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+H+NH4"	19.041099
"731491"	719.6238495	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+H+NH4"	19.041099
"1482391"	246.2216495	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H+NH4"	19.041099
"395969"	969.793618	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+Na"	22.989218
"760611"	1443.195818	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+Na"	22.989218
"1608709"	496.391418	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Na"	22.989218
"315594"	485.400447	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+H+Na"	23.996494
"715556"	722.101547	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+H+Na"	23.996494
"1469373"	248.699347	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H+Na"	23.996494
"1060432"	166.135323333333	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2H+Na"	25.00377
"1261016"	506.435686	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+CH3OH+H"	33.033486
"381779"	985.767558	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+K"	38.963158
"749336"	1459.169758	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+K"	38.963158
"1541182"	512.365358	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+K"	38.963158
"305285"	493.387417	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+H+K"	39.970434
"697705"	730.088517	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+H+K"	39.970434
"1460288"	256.686317	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H+K"	39.970434
"247428"	988.838226	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+ACN+H"	42.033826
"1224147"	515.436026	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+ACN+H"	42.033826
"1208396"	258.221651	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+ACN+2H"	43.041102
"199807"	991.77556	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+2Na-H"	44.97116
"639000"	1465.17776	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+2Na-H"	44.97116
"1139225"	518.37336	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2Na-H"	44.97116
"181420"	496.391418	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+2Na"	45.978436
"616609"	733.092518	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+2Na"	45.978436
"1122302"	259.690318	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2Na"	45.978436
"1409105"	173.462637333333	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H+2Na"	46.985712
"1437940"	520.414946	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H+HCOOH"	47.012746
"229823"	501.42444	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+3H2O+2H"	56.04448
"1520071"	534.46699	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+IsoProp+H"	61.06479
"416476"	504.378388	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+Na+K"	61.952376
"776377"	741.079488	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+Na+K"	61.952376
"1670521"	267.677288	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Na+K"	61.952376
"255954"	1010.820168	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+ACN+Na"	64.015768
"1233035"	537.417968	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+ACN+Na"	64.015768
"1721919"	537.441493	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+NH4+HCOOH"	64.039293
"1186178"	180.789951333333	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+3Na"	68.967654
"1657165"	542.396888	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Na+HCOOH"	68.994688
"165118"	1023.72344	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+2K-H"	76.91904
"603585"	1497.12564	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+2K-H"	76.91904
"1090652"	550.32124	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2K-H"	76.91904
"144917"	512.365358	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"2M+2K"	77.926316
"583384"	749.066458	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"3M+2K"	77.926316
"1075551"	275.664258	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2K"	77.926316
"1100620"	552.335792	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2K+H"	78.933592
"1335665"	552.423407	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+DMSO+H"	79.021207
"1006264"	556.462576	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2ACN+H"	83.060376
"1527428"	557.456208	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+IsoProp+Na+H"	84.054008
"991694"	278.734926	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+2ACN+2H"	84.067652
"1589480"	558.370828	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+K+HCOOH"	84.968628
"1415501"	588.402338	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+H+CF3COOH"	115.000138
"1148711"	299.248201	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+3ACN+2H"	125.094202
"1697412"	605.428885	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+NH4+CF3COOH"	132.026685
"1635010"	610.38428	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+Na+CF3COOH"	136.98208
"1581599"	626.35822	"C15294"	"N-Methylindolo32-b-5alpha-cholest-2-ene;1-Methyl-1H-5alpha-cholest-2-eno32-bindole"	"C34H51N"	"473.4022"	"M+K+CF3COOH"	152.95602
"811964"	300.1725	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M"	0
"975291"	281.15411	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"66085"	199.107724	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"512212"	299.165224	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"886733"	99.050224	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"14788"	299.165224	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"454713"	449.251474	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"831422"	149.078974	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"92506"	599.337724	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"527696"	899.510224	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"905499"	299.165224	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"55498"	616.364271	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"492871"	916.536771	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"875050"	316.191771	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"43315"	621.319666	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"477775"	921.492166	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"854118"	321.147166	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1621098"	321.147166	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"94750"	317.153563	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"534674"	467.239813	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"936175"	167.067313	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"275826"	635.314402	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"663871"	935.486902	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1275180"	335.141902	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"23211"	637.293606	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"462772"	937.466106	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"839481"	337.121106	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1565153"	337.121106	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"949759"	345.170694	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"367970"	645.343201	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"349668"	659.358851	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1494855"	359.186351	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"962031"	367.152651	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"118229"	335.141902	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"556698"	485.228152	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1034246"	185.055652	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1253824"	379.091385	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1317368"	381.147372	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1332678"	403.129329	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"925558"	413.158086	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1301537"	449.134764	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1377513"	265.159824	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1389542"	283.1698	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"288133"	601.352276	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"687115"	901.524776	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1360184"	301.179776	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"134166"	301.179776	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"577006"	451.266026	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1049086"	151.093526	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"217838"	201.122276	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"658250"	301.179776	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1176505"	101.064776	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"437587"	618.378823	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"798217"	918.551323	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1690900"	318.206323	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"339181"	309.6930495	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"733787"	459.7792995	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1481408"	159.6067995	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"397902"	623.334218	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"759626"	923.506718	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1609912"	323.161718	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"315097"	312.170747	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"707189"	462.256997	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1462423"	162.084497	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1053362"	108.39209	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1257074"	333.205986	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"377547"	639.308158	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"740690"	939.480658	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1546025"	339.135658	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"300287"	320.157717	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"692021"	470.243967	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1461008"	170.071467	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"249606"	642.378826	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1224138"	342.206326	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1208142"	171.606801	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"200283"	645.31616	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"640205"	945.48866	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1139336"	345.14366	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"184811"	323.161718	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"618906"	473.247968	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1129948"	173.075468	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1411768"	115.719404	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1441331"	347.185246	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"234308"	328.19474	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1515806"	361.23729	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"415496"	331.148688	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"778677"	481.234938	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1672817"	181.062438	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"258252"	664.360768	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1232780"	364.188268	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1723120"	364.211793	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1185924"	123.046718	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1658366"	369.167188	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"166323"	677.26404	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"605521"	977.43654	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1091491"	377.09154	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"148308"	339.135658	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"587869"	489.221908	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1077850"	189.049408	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1101217"	379.106092	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1336628"	379.193707	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1007223"	383.232876	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1526444"	384.226508	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"990831"	192.120076	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1588496"	385.141128	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1416705"	415.172638	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1149188"	212.633351	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1697645"	432.199185	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1636213"	437.15458	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1578428"	453.12852	"C15295"	"17beta-Hydroxy-3-methoxyestra-135(10)-trien-16-one;16-Oxoestradiol 3-methyl ether"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"810981"	270.0641	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M"	0
"975764"	251.04571	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-H2O-H"	-19.01839
"69475"	179.035457333333	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M-3H"	-3.021828
"511229"	269.056824	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M-3H"	-3.021828
"883563"	89.0140906666667	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-3H"	-3.021828
"11980"	269.056824	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M-2H"	-2.014552
"454946"	404.088874	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M-2H"	-2.014552
"831169"	134.024774	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-2H"	-2.014552
"92373"	539.120924	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M-H"	-1.007276
"528898"	809.185024	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M-H"	-1.007276
"903421"	269.056824	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-H"	-1.007276
"53421"	556.147471	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M-2H+NH4"	16.019271
"491156"	826.211571	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M-2H+NH4"	16.019271
"870781"	286.083371	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-2H+NH4"	16.019271
"40874"	561.102866	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M-2H+Na"	20.974666
"477157"	831.166966	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M-2H+Na"	20.974666
"854957"	291.038766	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-2H+Na"	20.974666
"1624488"	291.038766	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Na-2H"	20.974666
"95184"	287.045163	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M-H+Cl"	33.962126
"534742"	422.077213	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M-H+Cl"	33.962126
"940660"	152.013113	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-H+Cl"	33.962126
"275936"	575.097602	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+Cl"	34.969402
"662888"	845.161702	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+Cl"	34.969402
"1273953"	305.033502	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Cl"	34.969402
"22230"	577.076806	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M-2H+K"	36.948606
"463976"	847.140906	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M-2H+K"	36.948606
"838496"	307.012706	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-2H+K"	36.948606
"1561983"	307.012706	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+K-2H"	36.948606
"948772"	315.062294	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-H+HCOOH"	44.998194
"365895"	585.126401	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+HCOOH-H"	44.998201
"347588"	599.142051	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+Hac-H"	59.013851
"1496421"	329.077951	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Hac-H"	59.013851
"962872"	337.044251	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-H+NaCOOH"	66.980151
"113235"	305.033502	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+2Cl"	69.938804
"550607"	440.065552	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+2Cl"	69.938804
"1025604"	170.001452	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2Cl"	69.938804
"1249558"	348.982985	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Br"	78.918885
"1318569"	351.038972	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Cl+HCOOH"	80.974872
"1334611"	373.020929	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Cl+NaCOOH"	102.956829
"926398"	383.049686	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M-H+CF3COOH"	112.985586
"1302740"	419.026364	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Cl+CF3COOH"	148.962264
"1375437"	235.051424	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H-2H2O"	-35.012676
"1395120"	253.0614	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H-H2O"	-17.0027
"293712"	541.135476	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+H"	1.007276
"686134"	811.199576	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+H"	1.007276
"1354827"	271.071376	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H"	1.007276
"132089"	271.071376	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+2H"	2.014552
"576023"	406.103426	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+2H"	2.014552
"1051383"	136.039326	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2H"	2.014552
"218800"	181.050009333333	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+3H"	3.021828
"658603"	271.071376	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+3H"	3.021828
"1177099"	91.0286426666667	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+3H"	3.021828
"438789"	558.162023	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+NH4"	18.033823
"799054"	828.226123	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+NH4"	18.033823
"1693196"	288.097923	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+NH4"	18.033823
"340384"	279.5846495	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+H+NH4"	19.041099
"736084"	414.6166995	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+H+NH4"	19.041099
"1484436"	144.5525995	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H+NH4"	19.041099
"397649"	563.117418	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+Na"	22.989218
"760830"	833.181518	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+Na"	22.989218
"1610023"	293.053318	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Na"	22.989218
"317508"	282.062347	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+H+Na"	23.996494
"708839"	417.094397	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+H+Na"	23.996494
"1464115"	147.030297	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H+Na"	23.996494
"1053959"	98.3559566666667	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2H+Na"	25.00377
"1257949"	303.097586	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+CH3OH+H"	33.033486
"378711"	579.091358	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+K"	38.963158
"741891"	849.155458	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+K"	38.963158
"1542125"	309.027258	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+K"	38.963158
"300397"	290.049317	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+H+K"	39.970434
"692821"	425.081367	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+H+K"	39.970434
"1460958"	155.017267	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H+K"	39.970434
"250690"	582.162026	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+ACN+H"	42.033826
"1225346"	312.097926	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+ACN+H"	42.033826
"1208011"	156.552601	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+ACN+2H"	43.041102
"201487"	585.09936	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+2Na-H"	44.97116
"639225"	855.16346	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+2Na-H"	44.97116
"1144673"	315.03526	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2Na-H"	44.97116
"184922"	293.053318	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+2Na"	45.978436
"617193"	428.085368	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+2Na"	45.978436
"1125803"	158.021268	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2Na"	45.978436
"1406046"	105.683270666667	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H+2Na"	46.985712
"1437067"	317.076846	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H+HCOOH"	47.012746
"232230"	298.08634	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+3H2O+2H"	56.04448
"1514822"	331.12889	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+IsoProp+H"	61.06479
"414513"	301.040288	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+Na+K"	61.952376
"778784"	436.072338	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+Na+K"	61.952376
"1676208"	166.008238	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Na+K"	61.952376
"258362"	604.143968	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+ACN+Na"	64.015768
"1231797"	334.079868	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+ACN+Na"	64.015768
"1723230"	334.103393	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+NH4+HCOOH"	64.039293
"1187490"	113.010584666667	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+3Na"	68.967654
"1658476"	339.058788	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Na+HCOOH"	68.994688
"164246"	617.04724	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+2K-H"	76.91904
"605631"	887.11134	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+2K-H"	76.91904
"1093057"	346.98314	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2K-H"	76.91904
"147327"	309.027258	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"2M+2K"	77.926316
"585793"	444.059308	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"3M+2K"	77.926316
"1077959"	173.995208	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2K"	77.926316
"1102420"	348.997692	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2K+H"	78.933592
"1339898"	349.085307	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+DMSO+H"	79.021207
"1007334"	353.124476	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2ACN+H"	83.060376
"1526553"	354.118108	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+IsoProp+Na+H"	84.054008
"991184"	177.065876	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+2ACN+2H"	84.067652
"1588969"	355.032728	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+K+HCOOH"	84.968628
"1415357"	385.064238	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+H+CF3COOH"	115.000138
"1148202"	197.579151	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+3ACN+2H"	125.094202
"1698846"	402.090785	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+NH4+CF3COOH"	132.026685
"1637417"	407.04618	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+Na+CF3COOH"	136.98208
"1578538"	423.02012	"C15296"	"44-Dinitrostilbene"	"C14H10N2O4"	"270.0641"	"M+K+CF3COOH"	152.95602
"811091"	305.0284	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M"	0
"974442"	286.01001	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-H2O-H"	-19.01839
"66305"	202.344990666667	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M-3H"	-3.021828
"509151"	304.021124	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M-3H"	-3.021828
"883671"	100.668857333333	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-3H"	-3.021828
"4435"	304.021124	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M-2H"	-2.014552
"445088"	456.535324	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M-2H"	-2.014552
"822890"	151.506924	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-2H"	-2.014552
"82153"	609.049524	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M-H"	-1.007276
"529008"	914.077924	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M-H"	-1.007276
"903531"	304.021124	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-H"	-1.007276
"52438"	626.076071	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M-2H+NH4"	16.019271
"491266"	931.104471	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M-2H+NH4"	16.019271
"870891"	321.047671	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-2H+NH4"	16.019271
"41349"	631.031466	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M-2H+Na"	20.974666
"477267"	936.059866	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M-2H+Na"	20.974666
"856160"	326.003066	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-2H+Na"	20.974666
"1624598"	326.003066	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Na-2H"	20.974666
"95051"	322.009463	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M-H+Cl"	33.962126
"535218"	474.523663	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M-H+Cl"	33.962126
"938219"	169.495263	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-H+Cl"	33.962126
"274952"	645.026202	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+Cl"	34.969402
"662998"	950.054602	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+Cl"	34.969402
"1273577"	339.997802	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Cl"	34.969402
"25620"	647.005406	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M-2H+K"	36.948606
"464086"	952.033806	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M-2H+K"	36.948606
"839699"	341.977006	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-2H+K"	36.948606
"1560999"	341.977006	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+K-2H"	36.948606
"946693"	350.026594	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-H+HCOOH"	44.998194
"366001"	655.055001	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+HCOOH-H"	44.998201
"348792"	669.070651	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+Hac-H"	59.013851
"1493614"	364.042251	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Hac-H"	59.013851
"964075"	372.008551	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-H+NaCOOH"	66.980151
"111889"	339.997802	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+2Cl"	69.938804
"551445"	492.512002	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+2Cl"	69.938804
"1023524"	187.483602	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2Cl"	69.938804
"1248574"	383.947285	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Br"	78.918885
"1314304"	386.003272	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Cl+HCOOH"	80.974872
"1332894"	407.985229	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Cl+NaCOOH"	102.956829
"926506"	418.013986	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M-H+CF3COOH"	112.985586
"1300662"	453.990664	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Cl+CF3COOH"	148.962264
"1372267"	270.015724	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H-2H2O"	-35.012676
"1389763"	288.0257	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H-H2O"	-17.0027
"291636"	611.064076	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+H"	1.007276
"677861"	916.092476	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+H"	1.007276
"1352143"	306.035676	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H"	1.007276
"132198"	306.035676	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+2H"	2.014552
"568842"	458.549876	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+2H"	2.014552
"1044933"	153.521476	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2H"	2.014552
"218302"	204.359542666667	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+3H"	3.021828
"658470"	306.035676	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+3H"	3.021828
"1177813"	102.683409333333	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+3H"	3.021828
"435981"	628.090623	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+NH4"	18.033823
"799163"	933.119023	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+NH4"	18.033823
"1693307"	323.062223	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+NH4"	18.033823
"341587"	314.5489495	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+H+NH4"	19.041099
"736923"	467.0631495	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+H+NH4"	19.041099
"1481631"	162.0347495	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H+NH4"	19.041099
"397029"	633.046018	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+Na"	22.989218
"758755"	938.074418	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+Na"	22.989218
"1609040"	328.017618	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Na"	22.989218
"317618"	317.026647	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+H+Na"	23.996494
"709676"	469.540847	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+H+Na"	23.996494
"1463495"	164.512447	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H+Na"	23.996494
"1055287"	110.010723333333	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2H+Na"	25.00377
"1258059"	338.061886	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+CH3OH+H"	33.033486
"379551"	649.019958	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+K"	38.963158
"742730"	954.048358	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+K"	38.963158
"1546245"	343.991558	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+K"	38.963158
"300506"	325.013617	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+H+K"	39.970434
"693295"	477.527817	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+H+K"	39.970434
"1460139"	172.499417	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H+K"	39.970434
"250315"	652.090626	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+ACN+H"	42.033826
"1224848"	347.062226	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+ACN+H"	42.033826
"1208606"	174.034751	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+ACN+2H"	43.041102
"200868"	655.02796	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+2Na-H"	44.97116
"639335"	960.05636	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+2Na-H"	44.97116
"1143932"	349.99956	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2Na-H"	44.97116
"184668"	328.017618	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+2Na"	45.978436
"616939"	480.531818	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+2Na"	45.978436
"1126642"	175.503418	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2Na"	45.978436
"1406156"	117.338037333333	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H+2Na"	46.985712
"1437177"	352.041146	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H+HCOOH"	47.012746
"230153"	333.05064	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+3H2O+2H"	56.04448
"1514933"	366.09319	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+IsoProp+H"	61.06479
"414623"	336.004588	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+Na+K"	61.952376
"779987"	488.518788	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+Na+K"	61.952376
"1677412"	183.490388	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Na+K"	61.952376
"256285"	674.072568	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+ACN+Na"	64.015768
"1230450"	369.044168	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+ACN+Na"	64.015768
"1720426"	369.067693	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+NH4+HCOOH"	64.039293
"1187600"	124.665351333333	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+3Na"	68.967654
"1658586"	374.023088	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Na+HCOOH"	68.994688
"163262"	686.97584	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+2K-H"	76.91904
"605375"	992.00424	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+2K-H"	76.91904
"1091709"	381.94744	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2K-H"	76.91904
"147437"	343.991558	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"2M+2K"	77.926316
"588089"	496.505758	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"3M+2K"	77.926316
"1078069"	191.477358	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2K"	77.926316
"1103623"	383.961992	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2K+H"	78.933592
"1336729"	384.049607	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+DMSO+H"	79.021207
"1007444"	388.088776	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2ACN+H"	83.060376
"1526663"	389.082408	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+IsoProp+Na+H"	84.054008
"991294"	194.548026	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+2ACN+2H"	84.067652
"1589808"	389.997028	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+K+HCOOH"	84.968628
"1415832"	420.028538	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+H+CF3COOH"	115.000138
"1149769"	215.061301	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+3ACN+2H"	125.094202
"1699320"	437.055085	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+NH4+CF3COOH"	132.026685
"1636434"	442.01048	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+Na+CF3COOH"	136.98208
"1578648"	457.98442	"C15297"	"24-Dinitro-1-(3-nitrophenoxy)benzene;24-Dinitro-3-nitrodiphenyl ether"	"C12H7N3O7"	"305.0284"	"M+K+CF3COOH"	152.95602
"812294"	274.2297	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M"	0
"978173"	255.21131	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-H2O-H"	-19.01839
"66415"	181.812524	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M-3H"	-3.021828
"509261"	273.222424	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M-3H"	-3.021828
"884874"	90.402624	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-3H"	-3.021828
"3452"	273.222424	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M-2H"	-2.014552
"445562"	410.337274	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M-2H"	-2.014552
"819718"	136.107574	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-2H"	-2.014552
"83356"	547.452124	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M-H"	-1.007276
"526930"	821.681824	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M-H"	-1.007276
"905825"	273.222424	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-H"	-1.007276
"53640"	564.478671	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M-2H+NH4"	16.019271
"491010"	838.708371	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M-2H+NH4"	16.019271
"869542"	290.248971	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-2H+NH4"	16.019271
"34647"	569.434066	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M-2H+Na"	20.974666
"479564"	843.663766	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M-2H+Na"	20.974666
"858457"	295.204366	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-2H+Na"	20.974666
"1627988"	295.204366	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Na-2H"	20.974666
"96254"	291.210763	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M-H+Cl"	33.962126
"536786"	428.325613	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M-H+Cl"	33.962126
"941489"	154.095913	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-H+Cl"	33.962126
"275062"	583.428802	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+Cl"	34.969402
"663108"	857.658502	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+Cl"	34.969402
"1274537"	309.199102	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Cl"	34.969402
"23542"	585.408006	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M-2H+K"	36.948606
"465289"	859.637706	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M-2H+K"	36.948606
"839809"	311.178306	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-2H+K"	36.948606
"1558923"	311.178306	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+K-2H"	36.948606
"946805"	319.227894	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-H+HCOOH"	44.998194
"366476"	593.457601	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+HCOOH-H"	44.998201
"349631"	607.473251	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+Hac-H"	59.013851
"1497370"	333.243551	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Hac-H"	59.013851
"963092"	341.209851	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-H+NaCOOH"	66.980151
"116373"	309.199102	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+2Cl"	69.938804
"554840"	446.313952	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+2Cl"	69.938804
"1023634"	172.084252	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2Cl"	69.938804
"1243215"	353.148585	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Br"	78.918885
"1307854"	355.204572	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Cl+HCOOH"	80.974872
"1329724"	377.186529	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Cl+NaCOOH"	102.956829
"925156"	387.215286	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M-H+CF3COOH"	112.985586
"1300772"	423.191964	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Cl+CF3COOH"	148.962264
"1369825"	239.217024	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H-2H2O"	-35.012676
"1385863"	257.227	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H-H2O"	-17.0027
"286277"	549.466676	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+H"	1.007276
"675794"	823.696376	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+H"	1.007276
"1352493"	275.236976	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H"	1.007276
"129392"	275.236976	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+2H"	2.014552
"570411"	412.351826	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+2H"	2.014552
"1042491"	138.122126	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2H"	2.014552
"212944"	183.827076	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+3H"	3.021828
"653598"	275.236976	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+3H"	3.021828
"1175006"	92.417176	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+3H"	3.021828
"433904"	566.493223	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+NH4"	18.033823
"793077"	840.722923	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+NH4"	18.033823
"1689046"	292.263523	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+NH4"	18.033823
"335500"	283.7502495	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+H+NH4"	19.041099
"731931"	420.8650995	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+H+NH4"	19.041099
"1479917"	146.6353995	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H+NH4"	19.041099
"393978"	571.448618	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+Na"	22.989218
"756675"	845.678318	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+Na"	22.989218
"1604045"	297.218918	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Na"	22.989218
"315052"	286.227947	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+H+Na"	23.996494
"708688"	423.342797	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+H+Na"	23.996494
"1461662"	149.113097	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H+Na"	23.996494
"1054059"	99.74449	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2H+Na"	25.00377
"1258658"	307.263186	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+CH3OH+H"	33.033486
"379295"	587.422558	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+K"	38.963158
"739923"	861.652258	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+K"	38.963158
"1543071"	313.192858	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+K"	38.963158
"298691"	294.214917	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+H+K"	39.970434
"695228"	431.329767	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+H+K"	39.970434
"1447956"	157.100067	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H+K"	39.970434
"250791"	590.493226	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+ACN+H"	42.033826
"1224959"	316.263526	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+ACN+H"	42.033826
"1208844"	158.635401	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+ACN+2H"	43.041102
"200978"	593.43056	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+2Na-H"	44.97116
"641631"	867.66026	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+2Na-H"	44.97116
"1144042"	319.20086	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2Na-H"	44.97116
"185142"	297.218918	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+2Na"	45.978436
"617049"	434.333768	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+2Na"	45.978436
"1127116"	160.104068	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2Na"	45.978436
"1406266"	107.071804	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H+2Na"	46.985712
"1437287"	321.242446	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H+HCOOH"	47.012746
"228076"	302.25194	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+3H2O+2H"	56.04448
"1513950"	335.29449	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+IsoProp+H"	61.06479
"414732"	305.205888	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+Na+K"	61.952376
"776818"	442.320738	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+Na+K"	61.952376
"1676428"	168.091038	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Na+K"	61.952376
"256392"	612.475168	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+ACN+Na"	64.015768
"1229464"	338.245468	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+ACN+Na"	64.015768
"1718714"	338.268993	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+NH4+HCOOH"	64.039293
"1185890"	114.399118	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+3Na"	68.967654
"1658698"	343.224388	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Na+HCOOH"	68.994688
"163373"	625.37844	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+2K-H"	76.91904
"602935"	899.60814	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+2K-H"	76.91904
"1089633"	351.14874	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2K-H"	76.91904
"145361"	313.192858	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"2M+2K"	77.926316
"586013"	450.307708	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"3M+2K"	77.926316
"1077086"	176.078008	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2K"	77.926316
"1101789"	353.163292	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2K+H"	78.933592
"1336106"	353.250907	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+DMSO+H"	79.021207
"1007917"	357.290076	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2ACN+H"	83.060376
"1525313"	358.283708	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+IsoProp+Na+H"	84.054008
"991527"	179.148676	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+2ACN+2H"	84.067652
"1589919"	359.198328	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+K+HCOOH"	84.968628
"1414849"	389.229838	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+H+CF3COOH"	115.000138
"1148786"	199.661951	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+3ACN+2H"	125.094202
"1699066"	406.256385	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+NH4+CF3COOH"	132.026685
"1637637"	411.21178	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+Na+CF3COOH"	136.98208
"1578758"	427.18572	"C15298"	"5alpha-Androstan-2-en-17beta-ol;17beta-Hydroxy-5alpha-androst-2-ene"	"C19H30O"	"274.2297"	"M+K+CF3COOH"	152.95602
"812405"	328.2402	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M"	0
"988856"	309.22181	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H2O-H"	-19.01839
"71995"	217.819524	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-3H"	-3.021828
"509372"	327.232924	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-3H"	-3.021828
"884985"	108.406124	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-3H"	-3.021828
"4653"	327.232924	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H"	-2.014552
"444212"	491.353024	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H"	-2.014552
"825298"	163.112824	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H"	-2.014552
"87478"	655.473124	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-H"	-1.007276
"524851"	983.713324	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-H"	-1.007276
"905937"	327.232924	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H"	-1.007276
"52658"	672.499671	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+NH4"	16.019271
"496592"	1000.739871	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+NH4"	16.019271
"869654"	344.259471	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+NH4"	16.019271
"35366"	677.455066	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+Na"	20.974666
"473103"	1005.695266	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+Na"	20.974666
"860754"	349.214866	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+Na"	20.974666
"1628100"	349.214866	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na-2H"	20.974666
"104632"	345.221263	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-H+Cl"	33.962126
"542005"	509.341363	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-H+Cl"	33.962126
"941354"	181.101163	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+Cl"	33.962126
"279547"	691.449802	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Cl"	34.969402
"672698"	1019.690002	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Cl"	34.969402
"1282184"	363.209602	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl"	34.969402
"23650"	693.429006	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M-2H+K"	36.948606
"464304"	1021.669206	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M-2H+K"	36.948606
"841012"	365.188806	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-2H+K"	36.948606
"1562313"	365.188806	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K-2H"	36.948606
"950196"	373.238394	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+HCOOH"	44.998194
"367317"	701.478601	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+HCOOH-H"	44.998201
"353388"	715.494251	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Hac-H"	59.013851
"1500034"	387.254051	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Hac-H"	59.013851
"963202"	395.220351	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+NaCOOH"	66.980151
"118670"	363.209602	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Cl"	69.938804
"553127"	527.329702	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Cl"	69.938804
"1024112"	199.089502	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Cl"	69.938804
"1247702"	407.159085	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Br"	78.918885
"1312339"	409.215072	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+HCOOH"	80.974872
"1330928"	431.197029	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+NaCOOH"	102.956829
"925632"	441.225786	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M-H+CF3COOH"	112.985586
"1303803"	477.202464	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Cl+CF3COOH"	148.962264
"1368842"	293.227524	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H-2H2O"	-35.012676
"1388160"	311.2375	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H-H2O"	-17.0027
"291856"	657.487676	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H"	1.007276
"679905"	985.727876	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H"	1.007276
"1356253"	329.247476	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H"	1.007276
"128775"	329.247476	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2H"	2.014552
"569796"	493.367576	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2H"	2.014552
"1051350"	165.127376	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2H"	2.014552
"217428"	219.834076	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+3H"	3.021828
"652617"	329.247476	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+3H"	3.021828
"1170744"	110.420676	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3H"	3.021828
"432922"	674.514223	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+NH4"	18.033823
"795010"	1002.754423	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+NH4"	18.033823
"1692436"	346.274023	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4"	18.033823
"338527"	337.7607495	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+NH4"	19.041099
"725843"	501.8808495	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+NH4"	19.041099
"1483674"	173.6406495	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+NH4"	19.041099
"399073"	679.469618	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Na"	22.989218
"762253"	1007.709818	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Na"	22.989218
"1605980"	351.229418	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na"	22.989218
"317114"	340.238447	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+Na"	23.996494
"707711"	504.358547	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+Na"	23.996494
"1463355"	176.118347	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+Na"	23.996494
"1054778"	117.74799	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2H+Na"	25.00377
"1259377"	361.273686	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+CH3OH+H"	33.033486
"381230"	695.443558	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+K"	38.963158
"740400"	1023.683758	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+K"	38.963158
"1541362"	367.203358	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K"	38.963158
"300725"	348.225417	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+H+K"	39.970434
"694607"	512.345517	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+H+K"	39.970434
"1450981"	184.105317	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+K"	39.970434
"248336"	698.514226	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+ACN+H"	42.033826
"1224337"	370.274026	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+H"	42.033826
"1208221"	185.640651	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+2H"	43.041102
"202181"	701.45156	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Na-H"	44.97116
"641741"	1029.69176	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Na-H"	44.97116
"1144152"	373.21136	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Na-H"	44.97116
"186346"	351.229418	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2Na"	45.978436
"627005"	515.349518	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2Na"	45.978436
"1122855"	187.109318	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2Na"	45.978436
"1404189"	125.075304	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+2Na"	46.985712
"1433024"	375.252946	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+HCOOH"	47.012746
"225270"	356.26244	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+3H2O+2H"	56.04448
"1517340"	389.30499	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+IsoProp+H"	61.06479
"414842"	359.216388	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+Na+K"	61.952376
"775472"	523.336488	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+Na+K"	61.952376
"1673258"	195.096288	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+K"	61.952376
"255411"	720.496168	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+ACN+Na"	64.015768
"1233583"	392.255968	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+ACN+Na"	64.015768
"1721376"	392.279493	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4+HCOOH"	64.039293
"1186727"	132.402618	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3Na"	68.967654
"1659903"	397.234888	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+HCOOH"	68.994688
"163846"	733.39944	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2K-H"	76.91904
"608147"	1061.63964	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2K-H"	76.91904
"1090839"	405.15924	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K-H"	76.91904
"143400"	367.203358	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"2M+2K"	77.926316
"583327"	531.323458	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"3M+2K"	77.926316
"1069416"	203.083258	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K"	77.926316
"1101657"	407.173792	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2K+H"	78.933592
"1336825"	407.261407	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+DMSO+H"	79.021207
"1007058"	411.300576	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2ACN+H"	83.060376
"1526035"	412.294208	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+IsoProp+Na+H"	84.054008
"993342"	206.153926	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+2ACN+2H"	84.067652
"1588208"	413.208828	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K+HCOOH"	84.968628
"1418974"	443.240338	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+H+CF3COOH"	115.000138
"1151448"	226.667201	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+3ACN+2H"	125.094202
"1701005"	460.266885	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+NH4+CF3COOH"	132.026685
"1635194"	465.22228	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+Na+CF3COOH"	136.98208
"1578868"	481.19622	"C15299"	"7alpha-Methyl-4-pregnene-320-dione;7alpha-Methylprogesterone"	"C22H32O2"	"328.2402"	"M+K+CF3COOH"	152.95602
"808141"	368.0485	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M"	0
"986049"	349.03011	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-H2O-H"	-19.01839
"69918"	244.358390666667	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M-3H"	-3.021828
"512762"	367.041224	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M-3H"	-3.021828
"885094"	121.675557333333	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-3H"	-3.021828
"3670"	367.041224	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M-2H"	-2.014552
"443229"	551.065474	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M-2H"	-2.014552
"825408"	183.016974	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-2H"	-2.014552
"84308"	735.089724	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M-H"	-1.007276
"522774"	1103.138224	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M-H"	-1.007276
"897659"	367.041224	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-H"	-1.007276
"49843"	752.116271	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M-2H+NH4"	16.019271
"487585"	1120.164771	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M-2H+NH4"	16.019271
"865021"	384.067771	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-2H+NH4"	16.019271
"31950"	757.071666	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M-2H+Na"	20.974666
"471755"	1125.120166	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M-2H+Na"	20.974666
"849922"	389.023166	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-2H+Na"	20.974666
"1618717"	389.023166	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Na-2H"	20.974666
"103644"	385.029563	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M-H+Cl"	33.962126
"542108"	569.053813	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M-H+Cl"	33.962126
"938913"	201.005313	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-H+Cl"	33.962126
"274187"	771.066402	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+Cl"	34.969402
"672079"	1139.114902	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+Cl"	34.969402
"1281201"	403.017902	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Cl"	34.969402
"20480"	773.045606	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M-2H+K"	36.948606
"463322"	1141.094106	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M-2H+K"	36.948606
"834561"	404.997106	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-2H+K"	36.948606
"1557683"	404.997106	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+K-2H"	36.948606
"944838"	413.046694	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-H+HCOOH"	44.998194
"362076"	781.095201	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+HCOOH-H"	44.998201
"346206"	795.110851	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+Hac-H"	59.013851
"1495038"	427.062351	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Hac-H"	59.013851
"959172"	435.028651	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-H+NaCOOH"	66.980151
"110877"	403.017902	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+2Cl"	69.938804
"550436"	587.042152	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+2Cl"	69.938804
"1026044"	218.993652	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2Cl"	69.938804
"1248903"	446.967385	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Br"	78.918885
"1305521"	449.023372	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Cl+HCOOH"	80.974872
"1323382"	471.005329	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Cl+NaCOOH"	102.956829
"913348"	481.034086	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M-H+CF3COOH"	112.985586
"1297713"	517.010764	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Cl+CF3COOH"	148.962264
"1370774"	333.035824	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H-2H2O"	-35.012676
"1387542"	351.0458	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H-H2O"	-17.0027
"289781"	737.104276	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+H"	1.007276
"681110"	1105.152776	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+H"	1.007276
"1354904"	369.055776	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H"	1.007276
"127791"	369.055776	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+2H"	2.014552
"569904"	553.080026	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+2H"	2.014552
"1049638"	185.031526	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2H"	2.014552
"216080"	246.372942666667	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+3H"	3.021828
"650539"	369.055776	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+3H"	3.021828
"1171944"	123.690109333333	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+3H"	3.021828
"431935"	754.130823	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+NH4"	18.033823
"791839"	1122.179323	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+NH4"	18.033823
"1691451"	386.082323	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+NH4"	18.033823
"341916"	377.5690495	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+H+NH4"	19.041099
"734338"	561.5932995	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+H+NH4"	19.041099
"1484879"	193.5447995	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H+NH4"	19.041099
"399182"	759.086218	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+Na"	22.989218
"761270"	1127.134718	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+Na"	22.989218
"1604389"	391.037718	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Na"	22.989218
"315401"	380.046747	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+H+Na"	23.996494
"709645"	564.070997	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+H+Na"	23.996494
"1462250"	196.022497	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H+Na"	23.996494
"1053915"	131.017423333333	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2H+Na"	25.00377
"1258388"	401.081986	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+CH3OH+H"	33.033486
"379515"	775.060158	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+K"	38.963158
"740513"	1143.108658	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+K"	38.963158
"1542566"	407.011658	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+K"	38.963158
"300835"	388.033717	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+H+K"	39.970434
"694714"	572.057967	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+H+K"	39.970434
"1448904"	204.009467	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H+K"	39.970434
"236411"	778.130826	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+ACN+H"	42.033826
"1224443"	410.082326	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+ACN+H"	42.033826
"1208935"	205.544801	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+ACN+2H"	43.041102
"201197"	781.06816	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+2Na-H"	44.97116
"638569"	1149.11666	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+2Na-H"	44.97116
"1143169"	413.01966	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2Na-H"	44.97116
"182082"	391.037718	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+2Na"	45.978436
"616540"	575.061968	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+2Na"	45.978436
"1120775"	207.013468	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2Na"	45.978436
"1403206"	138.344737333333	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H+2Na"	46.985712
"1434590"	415.061246	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H+HCOOH"	47.012746
"227201"	396.07074	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+3H2O+2H"	56.04448
"1513075"	429.11329	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+IsoProp+H"	61.06479
"412037"	399.024688	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+Na+K"	61.952376
"777037"	583.048938	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+Na+K"	61.952376
"1670818"	215.000438	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Na+K"	61.952376
"254429"	800.112768	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+ACN+Na"	64.015768
"1231508"	432.064268	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+ACN+Na"	64.015768
"1718206"	432.087793	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+NH4+HCOOH"	64.039293
"1185746"	145.672051333333	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+3Na"	68.967654
"1656730"	437.043188	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Na+HCOOH"	68.994688
"163594"	813.01604	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+2K-H"	76.91904
"604250"	1181.06454	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+2K-H"	76.91904
"1092043"	444.96754	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2K-H"	76.91904
"141685"	407.011658	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"2M+2K"	77.926316
"584045"	591.035908	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"3M+2K"	77.926316
"1069282"	222.987408	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2K"	77.926316
"1099962"	446.982092	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2K+H"	78.933592
"1336572"	447.069707	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+DMSO+H"	79.021207
"1006437"	451.108876	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2ACN+H"	83.060376
"1525052"	452.102508	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+IsoProp+Na+H"	84.054008
"993452"	226.058076	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+2ACN+2H"	84.067652
"1591234"	453.017128	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+K+HCOOH"	84.968628
"1417987"	483.048638	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+H+CF3COOH"	115.000138
"1151556"	246.571351	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+3ACN+2H"	125.094202
"1697833"	500.075185	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+NH4+CF3COOH"	132.026685
"1637857"	505.03058	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+Na+CF3COOH"	136.98208
"1578978"	521.00452	"C15300"	"Spirobenzofuran-2(3H)1-2cyclohexene-7-chloro-46-dimethoxy-6-methyl-2-(methylthio)-34-dione"	"C17H17ClO5S"	"368.0485"	"M+K+CF3COOH"	152.95602
"814812"	342.2195	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M"	0
"986159"	323.20111	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-H2O-H"	-19.01839
"74403"	227.139057333333	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M-3H"	-3.021828
"516152"	341.212224	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M-3H"	-3.021828
"881925"	113.065890666667	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-3H"	-3.021828
"4875"	341.212224	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M-2H"	-2.014552
"445528"	512.321974	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M-2H"	-2.014552
"827706"	170.102474	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-2H"	-2.014552
"84418"	683.431724	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M-H"	-1.007276
"525072"	1025.651224	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M-H"	-1.007276
"899229"	341.212224	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-H"	-1.007276
"48858"	700.458271	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M-2H+NH4"	16.019271
"488177"	1042.677771	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M-2H+NH4"	16.019271
"865858"	358.238771	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-2H+NH4"	16.019271
"32421"	705.413666	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M-2H+Na"	20.974666
"472595"	1047.633166	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M-2H+Na"	20.974666
"849668"	363.194166	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-2H+Na"	20.974666
"1618749"	363.194166	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Na-2H"	20.974666
"104849"	359.200563	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M-H+Cl"	33.962126
"536752"	530.310313	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M-H+Cl"	33.962126
"941209"	188.090813	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-H+Cl"	33.962126
"274297"	719.408402	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+Cl"	34.969402
"673282"	1061.627902	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+Cl"	34.969402
"1278031"	377.188902	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Cl"	34.969402
"21684"	721.387606	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M-2H+K"	36.948606
"461245"	1063.607106	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M-2H+K"	36.948606
"833941"	379.168106	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-2H+K"	36.948606
"1560347"	379.168106	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+K-2H"	36.948606
"944948"	387.217694	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-H+HCOOH"	44.998194
"364257"	729.437201	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+HCOOH-H"	44.998201
"348142"	743.452851	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+Hac-H"	59.013851
"1495149"	401.233351	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Hac-H"	59.013851
"959776"	409.199651	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-H+NaCOOH"	66.980151
"110121"	377.188902	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+2Cl"	69.938804
"551525"	548.298652	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+2Cl"	69.938804
"1021655"	206.079152	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2Cl"	69.938804
"1244641"	421.138385	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Br"	78.918885
"1307092"	423.194372	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Cl+HCOOH"	80.974872
"1327870"	445.176329	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Cl+NaCOOH"	102.956829
"912366"	455.205086	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M-H+CF3COOH"	112.985586
"1298556"	491.181764	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Cl+CF3COOH"	148.962264
"1371248"	307.206824	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H-2H2O"	-35.012676
"1384370"	325.2168	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H-H2O"	-17.0027
"290982"	685.446276	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+H"	1.007276
"678302"	1027.665776	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+H"	1.007276
"1354648"	343.226776	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H"	1.007276
"128265"	343.226776	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+2H"	2.014552
"569283"	514.336526	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+2H"	2.014552
"1048654"	172.117026	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2H"	2.014552
"214368"	229.153609333333	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+3H"	3.021828
"650648"	343.226776	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+3H"	3.021828
"1168775"	115.080442666667	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+3H"	3.021828
"429857"	702.472823	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+NH4"	18.033823
"796322"	1044.692323	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+NH4"	18.033823
"1690465"	360.253323	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+NH4"	18.033823
"336558"	351.7400495	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+H+NH4"	19.041099
"734449"	522.8497995	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+H+NH4"	19.041099
"1484988"	180.6302995	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H+NH4"	19.041099
"403668"	707.428218	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+Na"	22.989218
"764661"	1049.647718	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+Na"	22.989218
"1606200"	365.208718	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Na"	22.989218
"316602"	354.217747	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+H+Na"	23.996494
"707688"	525.327497	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+H+Na"	23.996494
"1462114"	183.107997	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H+Na"	23.996494
"1056821"	122.407756666667	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2H+Na"	25.00377
"1258621"	375.252986	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+CH3OH+H"	33.033486
"378288"	723.402158	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+K"	38.963158
"740624"	1065.621658	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+K"	38.963158
"1543770"	381.182658	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+K"	38.963158
"301675"	362.204717	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+H+K"	39.970434
"695555"	533.314467	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+H+K"	39.970434
"1448649"	191.094967	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H+K"	39.970434
"240893"	726.472826	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+ACN+H"	42.033826
"1225289"	384.253326	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+ACN+H"	42.033826
"1209415"	192.630301	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+ACN+2H"	43.041102
"200215"	729.41016	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+2Na-H"	44.97116
"642327"	1071.62966	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+2Na-H"	44.97116
"1142916"	387.19066	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2Na-H"	44.97116
"185839"	365.208718	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+2Na"	45.978436
"616650"	536.318468	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+2Na"	45.978436
"1120885"	194.098968	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2Na"	45.978436
"1402222"	129.735070666667	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H+2Na"	46.985712
"1436525"	389.232246	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H+HCOOH"	47.012746
"226219"	370.24174	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+3H2O+2H"	56.04448
"1513187"	403.28429	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+IsoProp+H"	61.06479
"415063"	373.195688	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+Na+K"	61.952376
"777150"	544.305438	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+Na+K"	61.952376
"1672389"	202.085938	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Na+K"	61.952376
"256727"	748.454768	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+ACN+Na"	64.015768
"1229797"	406.235268	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+ACN+Na"	64.015768
"1718318"	406.258793	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+NH4+HCOOH"	64.039293
"1185855"	137.062384666667	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+3Na"	68.967654
"1656840"	411.214188	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Na+HCOOH"	68.994688
"161881"	761.35804	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+2K-H"	76.91904
"604725"	1103.57754	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+2K-H"	76.91904
"1092884"	419.13854	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2K-H"	76.91904
"141794"	381.182658	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"2M+2K"	77.926316
"582085"	552.292408	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"3M+2K"	77.926316
"1068905"	210.072908	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2K"	77.926316
"1099990"	421.153092	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2K+H"	78.933592
"1337170"	421.240707	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+DMSO+H"	79.021207
"1006793"	425.279876	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2ACN+H"	83.060376
"1525041"	426.273508	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+IsoProp+Na+H"	84.054008
"994657"	213.143576	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+2ACN+2H"	84.067652
"1593535"	427.188128	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+K+HCOOH"	84.968628
"1418462"	457.219638	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+H+CF3COOH"	115.000138
"1151669"	233.656851	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+3ACN+2H"	125.094202
"1703412"	474.246185	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+NH4+CF3COOH"	132.026685
"1639062"	479.20158	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+Na+CF3COOH"	136.98208
"1579088"	495.17552	"C15301"	"2alpha-Methylpregn-4-ene-31120-trione;2alpha-Methyl-11-oxoprogesterone"	"C22H30O3"	"342.2195"	"M+K+CF3COOH"	152.95602
"808361"	418.2355	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M"	0
"980801"	399.21711	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-H2O-H"	-19.01839
"69044"	277.816390666667	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M-3H"	-3.021828
"516262"	417.228224	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M-3H"	-3.021828
"883128"	138.404557333333	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-3H"	-3.021828
"4985"	417.228224	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M-2H"	-2.014552
"444545"	626.345974	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M-2H"	-2.014552
"828910"	208.110474	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-2H"	-2.014552
"87808"	835.463724	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M-H"	-1.007276
"525181"	1253.699224	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M-H"	-1.007276
"898609"	417.228224	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-H"	-1.007276
"48967"	852.490271	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M-2H+NH4"	16.019271
"488286"	1270.725771	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M-2H+NH4"	16.019271
"865358"	434.254771	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-2H+NH4"	16.019271
"33381"	857.445666	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M-2H+Na"	20.974666
"472459"	1275.681166	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M-2H+Na"	20.974666
"849534"	439.210166	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-2H+Na"	20.974666
"1620033"	439.210166	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Na-2H"	20.974666
"103864"	435.216563	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M-H+Cl"	33.962126
"539048"	644.334313	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M-H+Cl"	33.962126
"940226"	226.098813	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-H+Cl"	33.962126
"274407"	871.440402	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+Cl"	34.969402
"661603"	1289.675902	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+Cl"	34.969402
"1278141"	453.204902	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Cl"	34.969402
"16565"	873.419606	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M-2H+K"	36.948606
"457708"	1291.655106	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M-2H+K"	36.948606
"832810"	455.184106	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-2H+K"	36.948606
"1555679"	455.184106	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+K-2H"	36.948606
"942826"	463.233694	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-H+HCOOH"	44.998194
"361444"	881.469201	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+HCOOH-H"	44.998201
"346098"	895.484851	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+Hac-H"	59.013851
"1492737"	477.249351	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Hac-H"	59.013851
"958535"	485.215651	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-H+NaCOOH"	66.980151
"109994"	453.204902	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+2Cl"	69.938804
"550026"	662.322652	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+2Cl"	69.938804
"1021684"	244.087152	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2Cl"	69.938804
"1241479"	497.154385	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Br"	78.918885
"1304224"	499.210372	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Cl+HCOOH"	80.974872
"1320071"	521.192329	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Cl+NaCOOH"	102.956829
"912352"	531.221086	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M-H+CF3COOH"	112.985586
"1291372"	567.197764	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Cl+CF3COOH"	148.962264
"1370265"	383.222824	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H-2H2O"	-35.012676
"1385574"	401.2328	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H-H2O"	-17.0027
"283675"	837.478276	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+H"	1.007276
"675975"	1255.713776	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+H"	1.007276
"1354395"	419.242776	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H"	1.007276
"132749"	419.242776	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+2H"	2.014552
"571216"	628.360526	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+2H"	2.014552
"1041110"	210.125026	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2H"	2.014552
"211199"	279.830942666667	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+3H"	3.021828
"651854"	419.242776	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+3H"	3.021828
"1165969"	140.419109333333	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+3H"	3.021828
"428875"	854.504823	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+NH4"	18.033823
"792056"	1272.740323	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+NH4"	18.033823
"1688387"	436.269323	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+NH4"	18.033823
"336666"	427.7560495	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+H+NH4"	19.041099
"732367"	636.8737995	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+H+NH4"	19.041099
"1482908"	218.6382995	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H+NH4"	19.041099
"397214"	859.460218	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+Na"	22.989218
"760396"	1277.695718	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+Na"	22.989218
"1605338"	441.224718	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Na"	22.989218
"315132"	430.233747	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+H+Na"	23.996494
"707920"	639.351497	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+H+Na"	23.996494
"1464781"	221.115997	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H+Na"	23.996494
"1056933"	147.746423333333	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2H+Na"	25.00377
"1261892"	451.268986	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+CH3OH+H"	33.033486
"378400"	875.434158	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+K"	38.963158
"742557"	1293.669658	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+K"	38.963158
"1542786"	457.198658	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+K"	38.963158
"301785"	438.220717	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+H+K"	39.970434
"698581"	647.338467	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+H+K"	39.970434
"1449487"	229.102967	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H+K"	39.970434
"238816"	878.504826	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+ACN+H"	42.033826
"1224064"	460.269326	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+ACN+H"	42.033826
"1207946"	230.638301	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+ACN+2H"	43.041102
"197045"	881.44216	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+2Na-H"	44.97116
"637698"	1299.67766	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+2Na-H"	44.97116
"1140109"	463.20666	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2Na-H"	44.97116
"182303"	441.224718	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+2Na"	45.978436
"616029"	650.342468	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+2Na"	45.978436
"1117712"	232.106968	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2Na"	45.978436
"1401603"	155.073737333333	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H+2Na"	46.985712
"1438094"	465.248246	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H+HCOOH"	47.012746
"228517"	446.25774	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+3H2O+2H"	56.04448
"1512205"	479.30029	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+IsoProp+H"	61.06479
"414080"	449.211688	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+Na+K"	61.952376
"773981"	658.329438	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+Na+K"	61.952376
"1669948"	240.093938	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Na+K"	61.952376
"260847"	900.486768	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+ACN+Na"	64.015768
"1230272"	482.251268	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+ACN+Na"	64.015768
"1718062"	482.274793	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+NH4+HCOOH"	64.039293
"1185965"	162.401051333333	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+3Na"	68.967654
"1655858"	487.230188	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Na+HCOOH"	68.994688
"161628"	913.39004	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+2K-H"	76.91904
"605928"	1331.62554	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+2K-H"	76.91904
"1094087"	495.15454	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2K-H"	76.91904
"141904"	457.198658	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"2M+2K"	77.926316
"582074"	666.316408	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"3M+2K"	77.926316
"1068684"	248.080908	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2K"	77.926316
"1100240"	497.169092	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2K+H"	78.933592
"1335807"	497.256707	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+DMSO+H"	79.021207
"1006294"	501.295876	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2ACN+H"	83.060376
"1525515"	502.289508	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+IsoProp+Na+H"	84.054008
"994767"	251.151576	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+2ACN+2H"	84.067652
"1593645"	503.204128	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+K+HCOOH"	84.968628
"1419301"	533.235638	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+H+CF3COOH"	115.000138
"1152873"	271.664851	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+3ACN+2H"	125.094202
"1703522"	550.262185	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+NH4+CF3COOH"	132.026685
"1637349"	555.21758	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+Na+CF3COOH"	136.98208
"1575918"	571.19152	"C15302"	"11beta1721-Trihydroxy-2alpha-methylpregn-4-ene-320-dione 21-acetate;17-Hydroxy-2alpha-methylcorticosterone 21-acetate;2alpha-Methylcortisol acetate"	"C24H34O6"	"418.2355"	"M+K+CF3COOH"	152.95602
"809564"	328.2038	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M"	0
"982004"	309.18541	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"64779"	217.795257333333	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"514187"	327.196524	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"890893"	108.393990666667	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"8375"	327.196524	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"445748"	491.298424	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"823549"	163.094624	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"89012"	655.400324	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"531853"	983.604124	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"898719"	327.196524	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"49809"	672.426871	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"489735"	1000.630671	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"867172"	344.223071	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"35071"	677.382266	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"473177"	1005.586066	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"849887"	349.178466	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1620385"	349.178466	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"105067"	345.184863	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"540251"	509.286763	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"939243"	181.082963	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"274517"	691.377002	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"663658"	1019.580802	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1278251"	363.173202	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"17528"	693.356206	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"461462"	1021.560006	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"833306"	365.152406	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1555751"	365.152406	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"942985"	373.201994	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"361758"	701.405801	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"348361"	715.421451	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1493298"	387.217651	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"959624"	395.183951	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"110286"	363.173202	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"551615"	527.275102	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1022363"	199.071302	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1242670"	407.122685	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1304875"	409.178672	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1321518"	431.160629	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"912828"	441.189386	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1291482"	477.166064	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1371831"	293.191124	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1384952"	311.2011	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"284394"	657.414876	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"677180"	985.618676	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1358877"	329.211076	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"131036"	329.211076	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"569138"	493.312976	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1041583"	165.109176	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"207295"	219.809809333333	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"650870"	329.211076	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1168994"	110.408542666667	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"432264"	674.441423	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"792167"	1002.645223	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1690682"	346.237623	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"337869"	337.7243495	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"728467"	501.8262495	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1484111"	173.6224495	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"398416"	679.396818	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"758318"	1007.600618	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1603503"	351.193018	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"316459"	340.202047	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"708273"	504.303947	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1463797"	176.100147	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1058135"	117.735856666667	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1263095"	361.237286	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"382763"	695.370758	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"740113"	1023.574558	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1543625"	367.166958	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"304081"	348.189017	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"700877"	512.290917	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1450326"	184.087117	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"240019"	698.441426	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1221493"	370.237626	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1206472"	185.622451	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"194968"	701.37876	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"636714"	1029.58256	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1137300"	373.17496	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"177672"	351.193018	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"615046"	515.294918	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1117821"	187.091118	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1402806"	125.063170666667	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1436745"	375.216546	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"226439"	356.22604	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1513409"	389.26859	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"414190"	359.179988	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"773361"	523.281888	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1672245"	195.078088	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"260227"	720.423368	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1229653"	392.219568	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1718170"	392.243093	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1183889"	132.390484666667	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1657063"	397.198488	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"161738"	733.32664	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"606767"	1061.53044	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1094561"	405.12284	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"149192"	367.166958	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"582552"	531.268858	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1069615"	203.065058	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1100635"	407.137392	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1336169"	407.225007	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1006280"	411.264176	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1525625"	412.257808	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"997064"	206.135726	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1597036"	413.172428	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1416497"	443.203938	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1150793"	226.649001	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1710193"	460.230485	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1637095"	465.18588	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1576028"	481.15982	"C15303"	"(Z)-11beta21-Dihydroxypregna-1417(20)-trien-3-one"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"806394"	346.2144	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M"	0
"981021"	327.19601	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"62871"	229.802324	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"517213"	345.207124	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"891003"	114.397524	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"8485"	345.207124	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"451326"	518.314324	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"828034"	172.099924	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"92402"	691.421524	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"533056"	1037.635924	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"898465"	345.207124	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"47974"	708.448071	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"489117"	1054.662471	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"866189"	362.233671	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"33360"	713.403466	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"473401"	1059.617866	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"849389"	367.189066	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1619767"	367.189066	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"102990"	363.195463	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"537445"	536.302663	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"940811"	190.088263	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"273534"	727.398202	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"663768"	1073.612602	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1281641"	381.183802	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"20920"	729.377406	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"462668"	1075.591806	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"836095"	383.163006	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1557394"	383.163006	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"943086"	391.212594	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"361788"	737.427001	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"349564"	751.442651	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1493125"	405.228251	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"958522"	413.194551	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"110383"	381.183802	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"550753"	554.291002	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1022473"	208.076602	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1241687"	425.133285	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1304864"	427.189272	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1321266"	449.171229	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"912330"	459.199986	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1289404"	495.176664	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1369756"	311.201724	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1385061"	329.2117	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
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"676117"	1039.650476	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1358989"	347.221676	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"127504"	347.221676	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"568518"	520.328876	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1038776"	174.114476	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
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"648059"	347.221676	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
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"426906"	710.462623	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"788998"	1056.677023	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1687512"	364.248223	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"334698"	355.7349495	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"727845"	528.8421495	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1479118"	182.6277495	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"397432"	715.418018	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"759523"	1061.632418	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1603370"	369.203618	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"316567"	358.212647	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"712272"	531.319847	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1461592"	185.105447	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1057517"	123.73939	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1259195"	379.247886	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"379593"	731.391958	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"743870"	1077.606358	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1543736"	385.177558	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"303098"	366.199617	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"703174"	539.306817	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1448978"	193.092417	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"239035"	734.462626	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1223787"	388.248226	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1206581"	194.627751	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"200543"	737.39996	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"640103"	1083.61436	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1135586"	391.18556	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"176689"	369.203618	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"613940"	542.310818	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1116836"	196.096418	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1402187"	131.066704	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1435762"	393.227146	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"222176"	374.23664	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1510968"	407.27919	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"412478"	377.190588	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"775660"	550.297788	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1671991"	204.083388	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"258151"	756.444568	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1229035"	410.230168	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1716459"	410.253693	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1180720"	138.394018	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1658267"	415.209088	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"161848"	769.34784	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"605784"	1115.56224	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1092486"	423.13344	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"149303"	385.177558	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"581931"	558.284758	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1070456"	212.070358	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1100625"	425.147992	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1336644"	425.235607	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1006147"	429.274776	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1525368"	430.268408	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"994988"	215.141026	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1596053"	431.183028	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1414539"	461.214538	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1147988"	235.654301	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1710303"	478.241085	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1639392"	483.19648	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1576138"	499.17042	"C15304"	"3beta19-Dihydroxyandrost-5-en-17-one 3-acetate;3beta-Acetoxy-19-hydroxyandrost-5-en-17-one"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"809784"	438.1809	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M"	0
"980038"	419.16251	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-H2O-H"	-19.01839
"62997"	291.113324	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M-3H"	-3.021828
"514408"	437.173624	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M-3H"	-3.021828
"886739"	145.053024	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-3H"	-3.021828
"10784"	437.173624	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M-2H"	-2.014552
"449249"	656.264074	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M-2H"	-2.014552
"828144"	218.083174	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-2H"	-2.014552
"89234"	875.354524	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M-H"	-1.007276
"528793"	1313.535424	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M-H"	-1.007276
"906594"	437.173624	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-H"	-1.007276
"48938"	892.381071	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M-2H+NH4"	16.019271
"489592"	1330.561971	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M-2H+NH4"	16.019271
"865934"	454.200171	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-2H+NH4"	16.019271
"33470"	897.336466	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M-2H+Na"	20.974666
"472418"	1335.517366	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M-2H+Na"	20.974666
"849094"	459.155566	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-2H+Na"	20.974666
"1619389"	459.155566	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Na-2H"	20.974666
"102007"	455.161963	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M-H+Cl"	33.962126
"540471"	674.252413	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M-H+Cl"	33.962126
"940192"	236.071513	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-H+Cl"	33.962126
"273644"	911.331202	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+Cl"	34.969402
"663878"	1349.512102	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+Cl"	34.969402
"1279559"	473.150302	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Cl"	34.969402
"21030"	913.310406	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M-2H+K"	36.948606
"462777"	1351.491306	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M-2H+K"	36.948606
"837296"	475.129506	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-2H+K"	36.948606
"1557504"	475.129506	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+K-2H"	36.948606
"943115"	483.179094	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-H+HCOOH"	44.998194
"361691"	921.360001	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+HCOOH-H"	44.998201
"347487"	935.375651	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+Hac-H"	59.013851
"1492922"	497.194751	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Hac-H"	59.013851
"958664"	505.161051	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-H+NaCOOH"	66.980151
"110939"	473.150302	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+2Cl"	69.938804
"550499"	692.240752	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+2Cl"	69.938804
"1021612"	254.059852	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2Cl"	69.938804
"1242160"	517.099785	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Br"	78.918885
"1304647"	519.155772	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Cl+HCOOH"	80.974872
"1320282"	541.137729	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Cl+NaCOOH"	102.956829
"912803"	551.166486	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M-H+CF3COOH"	112.985586
"1289514"	587.143164	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Cl+CF3COOH"	148.962264
"1370228"	403.168224	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H-2H2O"	-35.012676
"1385535"	421.1782	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H-H2O"	-17.0027
"284858"	877.369076	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+H"	1.007276
"681657"	1315.549976	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+H"	1.007276
"1358005"	439.188176	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H"	1.007276
"127614"	439.188176	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+2H"	2.014552
"566076"	658.278626	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+2H"	2.014552
"1038036"	220.097726	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2H"	2.014552
"206301"	293.127876	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+3H"	3.021828
"647441"	439.188176	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+3H"	3.021828
"1165566"	147.067576	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+3H"	3.021828
"428107"	894.395623	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+NH4"	18.033823
"788378"	1332.576523	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+NH4"	18.033823
"1687623"	456.214723	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+NH4"	18.033823
"334809"	447.7014495	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+H+NH4"	19.041099
"730509"	666.7918995	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+H+NH4"	19.041099
"1479228"	228.6109995	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H+NH4"	19.041099
"395356"	899.351018	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+Na"	22.989218
"760725"	1337.531918	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+Na"	22.989218
"1603359"	461.170118	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Na"	22.989218
"316674"	450.179147	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+H+Na"	23.996494
"711290"	669.269597	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+H+Na"	23.996494
"1466204"	231.088697	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H+Na"	23.996494
"1058356"	154.39489	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2H+Na"	25.00377
"1258211"	471.214386	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+CH3OH+H"	33.033486
"379702"	915.324958	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+K"	38.963158
"743980"	1353.505858	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+K"	38.963158
"1541658"	477.144058	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+K"	38.963158
"301021"	458.166117	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+H+K"	39.970434
"704378"	677.256567	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+H+K"	39.970434
"1449453"	239.075667	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H+K"	39.970434
"237080"	918.395626	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+ACN+H"	42.033826
"1224262"	480.214726	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+ACN+H"	42.033826
"1204503"	240.611001	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+ACN+2H"	43.041102
"200289"	921.33296	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+2Na-H"	44.97116
"638391"	1359.51386	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+2Na-H"	44.97116
"1134969"	483.15206	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2Na-H"	44.97116
"176435"	461.170118	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+2Na"	45.978436
"614414"	680.260568	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+2Na"	45.978436
"1116943"	242.079668	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2Na"	45.978436
"1400469"	161.722204	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H+2Na"	46.985712
"1431495"	485.193646	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H+HCOOH"	47.012746
"223013"	466.20314	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+3H2O+2H"	56.04448
"1512534"	499.24569	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+IsoProp+H"	61.06479
"409308"	469.157088	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+Na+K"	61.952376
"772486"	688.247538	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+Na+K"	61.952376
"1668092"	250.066638	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Na+K"	61.952376
"259354"	940.377568	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+ACN+Na"	64.015768
"1227321"	502.196668	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+ACN+Na"	64.015768
"1715840"	502.220193	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+NH4+HCOOH"	64.039293
"1182649"	169.049518	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+3Na"	68.967654
"1657284"	507.175588	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Na+HCOOH"	68.994688
"161958"	953.28084	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+2K-H"	76.91904
"602614"	1391.46174	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+2K-H"	76.91904
"1090772"	515.09994	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2K-H"	76.91904
"148319"	477.144058	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"2M+2K"	77.926316
"582408"	696.234508	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"3M+2K"	77.926316
"1068633"	258.053608	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2K"	77.926316
"1099941"	517.114492	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2K+H"	78.933592
"1335646"	517.202107	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+DMSO+H"	79.021207
"1007357"	521.241276	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2ACN+H"	83.060376
"1524631"	522.234908	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+IsoProp+Na+H"	84.054008
"994005"	261.124276	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+2ACN+2H"	84.067652
"1595070"	523.149528	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+K+HCOOH"	84.968628
"1414895"	553.181038	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+H+CF3COOH"	115.000138
"1149192"	281.637551	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+3ACN+2H"	125.094202
"1702758"	570.207585	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+NH4+CF3COOH"	132.026685
"1637315"	575.16298	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+Na+CF3COOH"	136.98208
"1576248"	591.13692	"C15305"	"9-Chloro-11beta1721-trihydroxypregn-4-ene-320-dione 21-acetate;9-Chloro-17-hydroxycorticosterone 21-acetate;9alpha-Chlorocortisol acetate"	"C23H31ClO6"	"438.1809"	"M+K+CF3COOH"	152.95602
"801954"	304.2038	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M"	0
"981241"	285.18541	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"63241"	201.795257333333	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"513425"	303.196524	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"886849"	100.393990666667	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"10894"	303.196524	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"448266"	455.298424	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"828254"	151.094624	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"90437"	607.400324	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"527810"	911.604124	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"904518"	303.196524	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"48684"	624.426871	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"488970"	928.630671	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"866772"	320.223071	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"34675"	629.382266	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"472769"	933.586066	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"849203"	325.178466	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1619741"	325.178466	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"105397"	321.184863	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"537301"	473.286763	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"940302"	169.082963	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"277034"	643.377002	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"667268"	947.580802	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1279669"	339.173202	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"21140"	645.356206	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"462887"	949.560006	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"836313"	341.152406	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1556885"	341.152406	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"942896"	349.201994	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"361526"	653.405801	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"349054"	667.421451	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1492870"	363.217651	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"958654"	371.183951	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"110320"	339.173202	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"550973"	491.275102	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1021601"	187.071302	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1241619"	383.122685	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1304214"	385.178672	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1319939"	407.160629	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"912913"	417.189386	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1291446"	453.166064	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1369973"	269.191124	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1387104"	287.2011	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"284239"	609.414876	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"679579"	913.618676	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1358115"	305.211076	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"129911"	305.211076	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"570563"	457.312976	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1038752"	153.109176	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"206048"	203.809809333333	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"648644"	305.211076	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1166408"	102.408542666667	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"429674"	626.441423	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"789581"	930.645223	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1687733"	322.237623	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"338199"	313.7243495	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"729527"	465.8262495	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1485534"	161.6224495	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"399841"	631.396818	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"761928"	935.600618	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1603383"	327.193018	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"316785"	316.202047	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"707756"	468.303947	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1463399"	164.100147	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1057375"	109.735856666667	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1257234"	337.237286	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"377168"	647.370758	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"738985"	951.574558	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1542862"	343.166958	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"303318"	324.189017	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"695740"	476.290917	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1448469"	172.087117	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"239255"	650.441426	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1220727"	346.237626	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1204613"	173.622451	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"198576"	653.37876	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"637042"	957.58256	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1137266"	349.17496	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"175936"	327.193018	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"614767"	479.294918	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1117416"	175.091118	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1399485"	117.063170666667	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1431728"	351.216546	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"222395"	332.22604	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1511551"	365.26859	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"410511"	335.179988	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"771868"	487.281888	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1667838"	183.078088	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"259464"	672.423368	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1226699"	368.219568	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1717773"	368.243093	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1185316"	124.390484666667	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1657394"	373.198488	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"163163"	685.32664	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"606004"	989.53044	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1092703"	381.12284	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"149522"	343.166958	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"589082"	495.268858	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1077969"	191.065058	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1100480"	383.137392	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1336139"	383.225007	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1006048"	387.264176	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1524741"	388.257808	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"994113"	194.135726	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1596273"	389.172428	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1415369"	419.203938	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1148938"	214.649001	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1705055"	436.230485	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1636330"	441.18588	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1576358"	457.15982	"C15306"	"11alpha17beta-Dihydroxyandrost-4-en-3-one;11alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"803443"	300.2089	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M"	0
"980258"	281.19051	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"63064"	199.131990666667	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"516451"	299.201624	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"892428"	99.0623573333333	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"13191"	299.201624	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"451657"	449.306074	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"829459"	149.097174	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"89455"	599.410524	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"523548"	899.619424	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"901349"	299.201624	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"50618"	616.437071	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"487987"	916.645971	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"868708"	316.228171	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"33327"	621.392466	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"472272"	921.601366	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"849596"	321.183566	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1619366"	321.183566	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"106966"	317.189963	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"536318"	467.294413	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"938958"	167.085513	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"277144"	635.387202	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"669566"	935.596102	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1284153"	335.178302	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"21251"	637.366406	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"459716"	937.575306	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"835693"	337.157506	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1555664"	337.157506	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"942925"	345.207094	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"361789"	645.416001	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"349528"	659.431651	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1493129"	359.222751	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"958724"	367.189051	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"110469"	335.178302	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"550473"	485.282752	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1023169"	185.073852	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1242015"	379.127785	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1305681"	381.183772	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1320141"	403.165729	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"912659"	413.194486	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1297390"	449.171164	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1372273"	265.196224	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1386486"	283.2062	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"288362"	601.425076	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"677503"	901.633976	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1353487"	301.216176	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"126616"	301.216176	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"570673"	451.320626	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1038865"	151.111726	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"206278"	201.146542666667	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"647298"	301.216176	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1167973"	101.076909333333	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"429426"	618.451623	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"791515"	918.660523	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1687844"	318.242723	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"338310"	309.7294495	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"729637"	459.8338995	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1483460"	159.6249995	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"399953"	623.407018	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"764227"	923.615918	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1605763"	323.198118	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"317988"	312.207147	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"710420"	462.311597	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1466426"	162.102697	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1055662"	108.404223333333	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1258189"	333.242386	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"377847"	639.380958	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"745294"	939.589858	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1545159"	339.172058	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"301243"	320.194117	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"698037"	470.298567	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1448581"	170.089667	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"239730"	642.451626	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1221930"	342.242726	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1203629"	171.625001	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"196498"	645.38896	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"639338"	945.59786	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1137376"	345.18006	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"176292"	323.198118	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"619132"	473.302568	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1116800"	173.093668	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1399598"	115.731537333333	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1431717"	347.221646	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"223599"	328.23114	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1518224"	361.27369	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"409285"	331.185088	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"774532"	481.289538	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1667584"	181.080638	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"253375"	664.433568	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1226000"	364.224668	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1716062"	364.248193	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1183239"	123.058851333333	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1655318"	369.203588	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"168741"	677.33684	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"608302"	977.54574	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1092813"	377.12794	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"151818"	339.172058	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"592473"	489.276508	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1079175"	189.067608	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1110197"	379.142492	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1348769"	379.230107	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1012921"	383.269276	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1526669"	384.262908	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"992037"	192.138276	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1588721"	385.177528	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1415112"	415.209038	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1147954"	212.651551	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1705165"	432.235585	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1636440"	437.19098	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1579748"	453.16492	"C15307"	"17beta-Hydroxy-7alpha-methylandrost-14-diene-3-one;1-Dehydro-7alpha-methyltestosterone"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"802459"	282.162	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M"	0
"977086"	263.14361	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-H2O-H"	-19.01839
"64230"	187.100724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M-3H"	-3.021828
"517776"	281.154724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M-3H"	-3.021828
"894240"	93.046724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-3H"	-3.021828
"11112"	281.154724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M-2H"	-2.014552
"451766"	422.235724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M-2H"	-2.014552
"829567"	140.073724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-2H"	-2.014552
"92723"	563.316724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M-H"	-1.007276
"528031"	845.478724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M-H"	-1.007276
"908992"	281.154724	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-H"	-1.007276
"58017"	580.343271	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M-2H+NH4"	16.019271
"497575"	862.505271	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M-2H+NH4"	16.019271
"874285"	298.181271	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-2H+NH4"	16.019271
"34165"	585.298666	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M-2H+Na"	20.974666
"472869"	867.460666	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M-2H+Na"	20.974666
"851166"	303.136666	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-2H+Na"	20.974666
"1621422"	303.136666	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Na-2H"	20.974666
"105617"	299.143063	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M-H+Cl"	33.962126
"538614"	440.224063	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M-H+Cl"	33.962126
"941131"	158.062063	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-H+Cl"	33.962126
"279441"	599.293402	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+Cl"	34.969402
"672955"	881.455402	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+Cl"	34.969402
"1284263"	317.131402	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Cl"	34.969402
"20632"	601.272606	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M-2H+K"	36.948606
"459097"	883.434606	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M-2H+K"	36.948606
"835440"	319.110606	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-2H+K"	36.948606
"1556737"	319.110606	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+K-2H"	36.948606
"943281"	327.160194	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-H+HCOOH"	44.998194
"362099"	609.322201	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+HCOOH-H"	44.998201
"346717"	623.337851	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+Hac-H"	59.013851
"1494091"	341.175851	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Hac-H"	59.013851
"959441"	349.142151	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-H+NaCOOH"	66.980151
"110899"	317.131402	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+2Cl"	69.938804
"551192"	458.212402	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+2Cl"	69.938804
"1022908"	176.050402	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2Cl"	69.938804
"1242003"	361.080885	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Br"	78.918885
"1305669"	363.136872	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Cl+HCOOH"	80.974872
"1323168"	385.118829	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Cl+NaCOOH"	102.956829
"912405"	395.147586	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M-H+CF3COOH"	112.985586
"1292030"	431.124264	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Cl+CF3COOH"	148.962264
"1369465"	247.149324	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H-2H2O"	-35.012676
"1386597"	265.1593	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H-H2O"	-17.0027
"288472"	565.331276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+H"	1.007276
"677613"	847.493276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+H"	1.007276
"1353597"	283.169276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H"	1.007276
"128310"	283.169276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+2H"	2.014552
"567868"	424.250276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+2H"	2.014552
"1040677"	142.088276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2H"	2.014552
"208578"	189.115276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+3H"	3.021828
"648503"	283.169276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+3H"	3.021828
"1167357"	95.061276	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+3H"	3.021828
"428443"	582.357823	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+NH4"	18.033823
"792717"	864.519823	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+NH4"	18.033823
"1690142"	300.195823	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+NH4"	18.033823
"336232"	291.6825495	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+H+NH4"	19.041099
"731934"	432.7635495	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+H+NH4"	19.041099
"1484665"	150.6015495	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H+NH4"	19.041099
"397877"	587.313218	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+Na"	22.989218
"764337"	869.475218	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+Na"	22.989218
"1604781"	305.151218	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Na"	22.989218
"319190"	294.160247	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+H+Na"	23.996494
"708825"	435.241247	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+H+Na"	23.996494
"1461668"	153.079247	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H+Na"	23.996494
"1056136"	102.38859	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2H+Na"	25.00377
"1259273"	315.195486	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+CH3OH+H"	33.033486
"377268"	603.287158	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+K"	38.963158
"738629"	885.449158	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+K"	38.963158
"1541256"	321.125158	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+K"	38.963158
"299161"	302.147217	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+H+K"	39.970434
"693771"	443.228217	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+H+K"	39.970434
"1449785"	161.066217	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H+K"	39.970434
"237291"	606.357826	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+ACN+H"	42.033826
"1223133"	324.195826	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+ACN+H"	42.033826
"1207749"	162.601551	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+ACN+2H"	43.041102
"199889"	609.29516	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+2Na-H"	44.97116
"638355"	891.45716	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+2Na-H"	44.97116
"1137486"	327.13316	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2Na-H"	44.97116
"176402"	305.151218	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+2Na"	45.978436
"622522"	446.232218	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+2Na"	45.978436
"1116793"	164.070218	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2Na"	45.978436
"1400804"	109.715904	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H+2Na"	46.985712
"1432189"	329.174746	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H+HCOOH"	47.012746
"223709"	310.18424	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+3H2O+2H"	56.04448
"1516146"	343.22679	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+IsoProp+H"	61.06479
"410367"	313.138188	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+Na+K"	61.952376
"774642"	454.219188	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+Na+K"	61.952376
"1669151"	172.057188	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Na+K"	61.952376
"254215"	628.339768	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+ACN+Na"	64.015768
"1226926"	346.177768	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+ACN+Na"	64.015768
"1714350"	346.201293	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+NH4+HCOOH"	64.039293
"1182254"	117.043218	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+3Na"	68.967654
"1653241"	351.156688	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Na+HCOOH"	68.994688
"162289"	641.24304	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+2K-H"	76.91904
"606225"	923.40504	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+2K-H"	76.91904
"1092923"	359.08104	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2K-H"	76.91904
"150835"	321.125158	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"2M+2K"	77.926316
"592583"	462.206158	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"3M+2K"	77.926316
"1080374"	180.044158	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2K"	77.926316
"1112130"	361.095592	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2K+H"	78.933592
"1349973"	361.183207	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+DMSO+H"	79.021207
"1013031"	365.222376	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2ACN+H"	83.060376
"1525325"	366.216008	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+IsoProp+Na+H"	84.054008
"995424"	183.114826	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+2ACN+2H"	84.067652
"1589200"	367.130628	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+K+HCOOH"	84.968628
"1415590"	397.162138	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+H+CF3COOH"	115.000138
"1147376"	203.628101	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+3ACN+2H"	125.094202
"1705275"	414.188685	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+NH4+CF3COOH"	132.026685
"1638737"	419.14408	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+Na+CF3COOH"	136.98208
"1579858"	435.11802	"C15308"	"3-Hydroxy-1-methylestra-135(10)6-tetraen-17-one;1-Methyl-6-dehydroestrone"	"C19H22O2"	"282.162"	"M+K+CF3COOH"	152.95602
"803663"	362.1893	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M"	0
"974885"	343.17091	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-H2O-H"	-19.01839
"64344"	240.452257333333	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M-3H"	-3.021828
"516669"	361.182024	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M-3H"	-3.021828
"892648"	119.722490666667	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-3H"	-3.021828
"5754"	361.182024	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M-2H"	-2.014552
"446408"	542.276674	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M-2H"	-2.014552
"827490"	180.087374	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-2H"	-2.014552
"91741"	723.371324	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M-H"	-1.007276
"528141"	1085.560624	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M-H"	-1.007276
"909954"	361.182024	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-H"	-1.007276
"59220"	740.397871	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M-2H+NH4"	16.019271
"497685"	1102.587171	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M-2H+NH4"	16.019271
"872207"	378.208571	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-2H+NH4"	16.019271
"36827"	745.353266	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M-2H+Na"	20.974666
"474199"	1107.542566	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M-2H+Na"	20.974666
"852368"	383.163966	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-2H+Na"	20.974666
"1621534"	383.163966	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Na-2H"	20.974666
"102447"	379.170363	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M-H+Cl"	33.962126
"537996"	560.265013	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M-H+Cl"	33.962126
"940996"	198.075713	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-H+Cl"	33.962126
"279551"	759.348002	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+Cl"	34.969402
"673795"	1121.537302	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+Cl"	34.969402
"1284738"	397.158702	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Cl"	34.969402
"19285"	761.327206	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M-2H+K"	36.948606
"458845"	1123.516506	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M-2H+K"	36.948606
"835188"	399.137906	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-2H+K"	36.948606
"1560133"	399.137906	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+K-2H"	36.948606
"945464"	407.187494	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-H+HCOOH"	44.998194
"364771"	769.376801	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+HCOOH-H"	44.998201
"347560"	783.392451	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+Hac-H"	59.013851
"1494202"	421.203151	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Hac-H"	59.013851
"961015"	429.169451	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-H+NaCOOH"	66.980151
"112110"	397.158702	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+2Cl"	69.938804
"554954"	578.253352	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+2Cl"	69.938804
"1025210"	216.064052	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2Cl"	69.938804
"1243331"	441.108185	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Br"	78.918885
"1306144"	443.164172	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Cl+HCOOH"	80.974872
"1322185"	465.146129	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Cl+NaCOOH"	102.956829
"913609"	475.174886	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M-H+CF3COOH"	112.985586
"1291776"	511.151564	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Cl+CF3COOH"	148.962264
"1371031"	327.176624	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H-2H2O"	-35.012676
"1387803"	345.1866	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H-H2O"	-17.0027
"288583"	725.385876	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+H"	1.007276
"680276"	1087.575176	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+H"	1.007276
"1353709"	363.196576	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H"	1.007276
"129514"	363.196576	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+2H"	2.014552
"569804"	544.291226	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+2H"	2.014552
"1041152"	182.101926	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2H"	2.014552
"211969"	242.466809333333	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+3H"	3.021828
"649705"	363.196576	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+3H"	3.021828
"1169652"	121.737042666667	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+3H"	3.021828
"431833"	742.412423	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+NH4"	18.033823
"791733"	1104.601723	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+NH4"	18.033823
"1686973"	380.223123	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+NH4"	18.033823
"338530"	371.7098495	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+H+NH4"	19.041099
"732045"	552.8044995	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+H+NH4"	19.041099
"1484774"	190.6151995	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H+NH4"	19.041099
"402360"	747.367818	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+Na"	22.989218
"767729"	1109.557118	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+Na"	22.989218
"1607078"	385.178518	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Na"	22.989218
"319301"	374.187547	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+H+Na"	23.996494
"709543"	555.282197	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+H+Na"	23.996494
"1461903"	193.092897	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H+Na"	23.996494
"1055881"	129.064356666667	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2H+Na"	25.00377
"1257921"	395.222786	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+CH3OH+H"	33.033486
"377951"	763.341758	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+K"	38.963158
"739798"	1125.531058	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+K"	38.963158
"1541002"	401.152458	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+K"	38.963158
"301460"	382.174517	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+H+K"	39.970434
"695341"	563.269167	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+H+K"	39.970434
"1448436"	201.079867	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H+K"	39.970434
"237763"	766.412426	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+ACN+H"	42.033826
"1218871"	404.223126	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+ACN+H"	42.033826
"1207497"	202.615201	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+ACN+2H"	43.041102
"197814"	769.34976	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+2Na-H"	44.97116
"639558"	1131.53906	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+2Na-H"	44.97116
"1140876"	407.16046	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2Na-H"	44.97116
"178699"	385.178518	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+2Na"	45.978436
"622632"	566.273168	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+2Na"	45.978436
"1116901"	204.083868	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2Na"	45.978436
"1400914"	136.391670666667	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H+2Na"	46.985712
"1434122"	409.202046	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H+HCOOH"	47.012746
"226005"	390.21154	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+3H2O+2H"	56.04448
"1518443"	423.25409	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+IsoProp+H"	61.06479
"414851"	393.165488	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+Na+K"	61.952376
"778033"	574.260138	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+Na+K"	61.952376
"1671083"	212.070838	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Na+K"	61.952376
"255418"	788.394368	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+ACN+Na"	64.015768
"1228493"	426.205068	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+ACN+Na"	64.015768
"1717013"	426.228593	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+NH4+HCOOH"	64.039293
"1187832"	143.718984666667	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+3Na"	68.967654
"1657726"	431.183988	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Na+HCOOH"	68.994688
"168962"	801.29764	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+2K-H"	76.91904
"610589"	1163.48694	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+2K-H"	76.91904
"1097411"	439.10834	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2K-H"	76.91904
"153132"	401.152458	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"2M+2K"	77.926316
"592694"	582.247108	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"3M+2K"	77.926316
"1082432"	220.057808	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2K"	77.926316
"1113576"	441.122892	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2K+H"	78.933592
"1350572"	441.210507	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+DMSO+H"	79.021207
"1017517"	445.249676	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2ACN+H"	83.060376
"1526285"	446.243308	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+IsoProp+Na+H"	84.054008
"993346"	223.128476	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+2ACN+2H"	84.067652
"1589308"	447.157928	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+K+HCOOH"	84.968628
"1415334"	477.189438	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+H+CF3COOH"	115.000138
"1148538"	243.641751	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+3ACN+2H"	125.094202
"1705385"	494.215985	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+NH4+CF3COOH"	132.026685
"1638848"	499.17138	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+Na+CF3COOH"	136.98208
"1579968"	515.14532	"C15309"	"1721-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-320-dione;1721-Epoxy-9-fluoro-11beta-hydroxyprogesterone"	"C21H27FO4"	"362.1893"	"M+K+CF3COOH"	152.95602
"803773"	390.2206	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M"	0
"980588"	371.20221	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-H2O-H"	-19.01839
"63480"	259.139790666667	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M-3H"	-3.021828
"510581"	389.213324	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M-3H"	-3.021828
"890570"	129.066257333333	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-3H"	-3.021828
"9144"	389.213324	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M-2H"	-2.014552
"445423"	584.323624	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M-2H"	-2.014552
"821403"	194.103024	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-2H"	-2.014552
"86498"	779.433924	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M-H"	-1.007276
"529342"	1169.654524	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M-H"	-1.007276
"909330"	389.213324	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-H"	-1.007276
"50949"	796.460471	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M-2H+NH4"	16.019271
"492694"	1186.681071	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M-2H+NH4"	16.019271
"869403"	406.239871	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-2H+NH4"	16.019271
"38032"	801.415866	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M-2H+Na"	20.974666
"474310"	1191.636466	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M-2H+Na"	20.974666
"849559"	411.195266	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-2H+Na"	20.974666
"1620189"	411.195266	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Na-2H"	20.974666
"98183"	407.201663	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M-H+Cl"	33.962126
"538469"	602.311963	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M-H+Cl"	33.962126
"930891"	212.091363	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-H+Cl"	33.962126
"273100"	815.410602	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+Cl"	34.969402
"669895"	1205.631202	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+Cl"	34.969402
"1281203"	425.190002	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Cl"	34.969402
"19031"	817.389806	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M-2H+K"	36.948606
"458955"	1207.610406	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M-2H+K"	36.948606
"836393"	427.169206	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-2H+K"	36.948606
"1558420"	427.169206	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+K-2H"	36.948606
"948128"	435.218794	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-H+HCOOH"	44.998194
"365610"	825.439401	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+HCOOH-H"	44.998201
"348399"	839.455051	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+Hac-H"	59.013851
"1497596"	449.234451	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Hac-H"	59.013851
"962585"	457.200751	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-H+NaCOOH"	66.980151
"114409"	425.190002	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+2Cl"	69.938804
"554701"	620.300302	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+2Cl"	69.938804
"1025687"	230.079702	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2Cl"	69.938804
"1242350"	469.139485	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Br"	78.918885
"1308079"	471.195472	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Cl+HCOOH"	80.974872
"1320837"	493.177429	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Cl+NaCOOH"	102.956829
"915908"	503.206186	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M-H+CF3COOH"	112.985586
"1290792"	539.182864	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Cl+CF3COOH"	148.962264
"1369684"	355.207924	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H-2H2O"	-35.012676
"1390100"	373.2179	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H-H2O"	-17.0027
"286871"	781.448476	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+H"	1.007276
"680021"	1171.669076	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+H"	1.007276
"1355643"	391.227876	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H"	1.007276
"129624"	391.227876	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+2H"	2.014552
"568090"	586.338176	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+2H"	2.014552
"1039806"	196.117576	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2H"	2.014552
"208069"	261.154342666667	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+3H"	3.021828
"650544"	391.227876	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+3H"	3.021828
"1168670"	131.080809333333	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+3H"	3.021828
"430849"	798.475023	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+NH4"	18.033823
"791844"	1188.695623	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+NH4"	18.033823
"1685988"	408.254423	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+NH4"	18.033823
"337545"	399.7411495	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+H+NH4"	19.041099
"733248"	594.8514495	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+H+NH4"	19.041099
"1483787"	204.6308495	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H+NH4"	19.041099
"402468"	803.430418	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+Na"	22.989218
"765288"	1193.651018	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+Na"	22.989218
"1611566"	413.209818	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Na"	22.989218
"319411"	402.218847	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+H+Na"	23.996494
"707461"	597.329147	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+H+Na"	23.996494
"1461434"	207.108547	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H+Na"	23.996494
"1055993"	138.408123333333	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2H+Na"	25.00377
"1259496"	423.254086	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+CH3OH+H"	33.033486
"377656"	819.404358	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+K"	38.963158
"738627"	1209.624958	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+K"	38.963158
"1540386"	429.183758	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+K"	38.963158
"299382"	410.205817	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+H+K"	39.970434
"692534"	605.316117	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+H+K"	39.970434
"1450005"	215.095517	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H+K"	39.970434
"239701"	822.475026	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+ACN+H"	42.033826
"1221169"	432.254426	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+ACN+H"	42.033826
"1206144"	216.630851	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+ACN+2H"	43.041102
"199015"	825.41236	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+2Na-H"	44.97116
"640764"	1215.63296	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+2Na-H"	44.97116
"1142081"	435.19176	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2Na-H"	44.97116
"184278"	413.209818	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+2Na"	45.978436
"623837"	608.320118	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+2Na"	45.978436
"1117013"	218.099518	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2Na"	45.978436
"1404306"	145.735437333333	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H+2Na"	46.985712
"1432411"	437.233346	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H+HCOOH"	47.012746
"227210"	418.24284	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+3H2O+2H"	56.04448
"1518555"	451.28539	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+IsoProp+H"	61.06479
"412775"	421.196788	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+Na+K"	61.952376
"777052"	616.307088	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+Na+K"	61.952376
"1669374"	226.086488	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Na+K"	61.952376
"256258"	844.456968	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+ACN+Na"	64.015768
"1230060"	454.236368	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+ACN+Na"	64.015768
"1718216"	454.259893	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+NH4+HCOOH"	64.039293
"1181382"	153.062751333333	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+3Na"	68.967654
"1656742"	459.215288	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Na+HCOOH"	68.994688
"169073"	857.36024	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+2K-H"	76.91904
"608633"	1247.58084	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+2K-H"	76.91904
"1096428"	467.13964	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2K-H"	76.91904
"156282"	429.183758	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"2M+2K"	77.926316
"596944"	624.294058	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"3M+2K"	77.926316
"1082663"	234.073458	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2K"	77.926316
"1114538"	469.154192	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2K+H"	78.933592
"1349948"	469.241807	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+DMSO+H"	79.021207
"1018355"	473.280976	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2ACN+H"	83.060376
"1527002"	474.274608	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+IsoProp+Na+H"	84.054008
"993456"	237.144126	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+2ACN+2H"	84.067652
"1588809"	475.189228	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+K+HCOOH"	84.968628
"1416288"	505.220738	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+H+CF3COOH"	115.000138
"1147555"	257.657401	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+3ACN+2H"	125.094202
"1705495"	522.247285	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+NH4+CF3COOH"	132.026685
"1638958"	527.20268	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+Na+CF3COOH"	136.98208
"1580078"	543.17662	"C15310"	"6alpha-Fluoro-17-hydroxypregn-4-ene-320-dione acetate"	"C23H31FO4"	"390.2206"	"M+K+CF3COOH"	152.95602
"803884"	249.009	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M"	0
"983979"	229.99061	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-H2O-H"	-19.01839
"64566"	164.998724	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M-3H"	-3.021828
"508503"	248.001724	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M-3H"	-3.021828
"886307"	81.995724	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-3H"	-3.021828
"7068"	248.001724	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M-2H"	-2.014552
"444440"	372.506224	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M-2H"	-2.014552
"822242"	123.497224	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-2H"	-2.014552
"86608"	497.010724	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M-H"	-1.007276
"530545"	746.019724	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M-H"	-1.007276
"909319"	248.001724	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-H"	-1.007276
"56162"	514.037271	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M-2H+NH4"	16.019271
"491349"	763.046271	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M-2H+NH4"	16.019271
"865505"	265.028271	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-2H+NH4"	16.019271
"35227"	518.992666	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M-2H+Na"	20.974666
"473329"	768.001666	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M-2H+Na"	20.974666
"849060"	269.983666	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-2H+Na"	20.974666
"1620661"	269.983666	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Na-2H"	20.974666
"99387"	265.990063	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M-H+Cl"	33.962126
"537121"	390.494563	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M-H+Cl"	33.962126
"930637"	141.485563	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-H+Cl"	33.962126
"279771"	532.987402	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+Cl"	34.969402
"671098"	781.996402	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+Cl"	34.969402
"1283500"	283.978402	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Cl"	34.969402
"15852"	534.966606	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M-2H+K"	36.948606
"458699"	783.975606	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M-2H+K"	36.948606
"835774"	285.957606	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-2H+K"	36.948606
"1559626"	285.957606	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+K-2H"	36.948606
"943859"	294.007194	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-H+HCOOH"	44.998194
"366814"	543.016201	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+HCOOH-H"	44.998201
"349604"	557.031851	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+Hac-H"	59.013851
"1497708"	308.022851	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Hac-H"	59.013851
"960874"	315.989151	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-H+NaCOOH"	66.980151
"114887"	283.978402	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+2Cl"	69.938804
"554811"	408.482902	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+2Cl"	69.938804
"1024703"	159.473902	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2Cl"	69.938804
"1244649"	327.927885	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Br"	78.918885
"1309649"	329.983872	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Cl+HCOOH"	80.974872
"1328970"	351.965829	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Cl+NaCOOH"	102.956829
"923310"	361.994586	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M-H+CF3COOH"	112.985586
"1292362"	397.971264	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Cl+CF3COOH"	148.962264
"1378181"	213.996324	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H-2H2O"	-35.012676
"1392398"	232.0063	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H-H2O"	-17.0027
"287348"	499.025276	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+H"	1.007276
"681228"	748.034276	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+H"	1.007276
"1355390"	250.016276	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H"	1.007276
"132652"	250.016276	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+2H"	2.014552
"568934"	374.520776	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+2H"	2.014552
"1040281"	125.511776	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2H"	2.014552
"211097"	167.013276	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+3H"	3.021828
"646648"	250.016276	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+3H"	3.021828
"1166594"	84.010276	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+3H"	3.021828
"432052"	516.051823	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+NH4"	18.033823
"789769"	765.060823	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+NH4"	18.033823
"1687193"	267.042823	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+NH4"	18.033823
"334376"	258.5295495	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+H+NH4"	19.041099
"730078"	383.0340495	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+H+NH4"	19.041099
"1486085"	134.0250495	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H+NH4"	19.041099
"402577"	521.007218	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+Na"	22.989218
"764668"	770.016218	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+Na"	22.989218
"1612769"	271.998218	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Na"	22.989218
"326450"	261.007247	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+H+Na"	23.996494
"707326"	385.511747	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+H+Na"	23.996494
"1461594"	136.502747	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H+Na"	23.996494
"1056833"	91.33759	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2H+Na"	25.00377
"1261793"	282.042486	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+CH3OH+H"	33.033486
"378906"	536.981158	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+K"	38.963158
"740631"	785.990158	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+K"	38.963158
"1542321"	287.972158	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+K"	38.963158
"302778"	268.994217	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+H+K"	39.970434
"693375"	393.498717	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+H+K"	39.970434
"1450117"	144.489717	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H+K"	39.970434
"238719"	540.051826	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+ACN+H"	42.033826
"1221279"	291.042826	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+ACN+H"	42.033826
"1207347"	146.025051	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+ACN+2H"	43.041102
"200218"	542.98916	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+2Na-H"	44.97116
"641966"	791.99816	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+2Na-H"	44.97116
"1145108"	293.98016	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2Na-H"	44.97116
"184390"	271.998218	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+2Na"	45.978436
"625041"	396.502718	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+2Na"	45.978436
"1125995"	147.493718	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2Na"	45.978436
"1409884"	98.664904	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H+2Na"	46.985712
"1438720"	296.021746	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H+HCOOH"	47.012746
"229508"	277.03124	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+3H2O+2H"	56.04448
"1518665"	310.07379	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+IsoProp+H"	61.06479
"417261"	279.985188	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+Na+K"	61.952376
"772790"	404.489688	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+Na+K"	61.952376
"1672401"	155.480688	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Na+K"	61.952376
"257098"	562.033768	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+ACN+Na"	64.015768
"1227983"	313.024768	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+ACN+Na"	64.015768
"1717598"	313.048293	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+NH4+HCOOH"	64.039293
"1180399"	105.992218	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+3Na"	68.967654
"1657947"	318.003688	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Na+HCOOH"	68.994688
"169183"	574.93704	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+2K-H"	76.91904
"605462"	823.94604	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+2K-H"	76.91904
"1091068"	325.92804	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2K-H"	76.91904
"156151"	287.972158	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"2M+2K"	77.926316
"596927"	412.476658	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"3M+2K"	77.926316
"1084144"	163.467658	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2K"	77.926316
"1115487"	327.942592	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2K+H"	78.933592
"1343739"	328.030207	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+DMSO+H"	79.021207
"1007528"	332.069376	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2ACN+H"	83.060376
"1525774"	333.063008	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+IsoProp+Na+H"	84.054008
"994662"	166.538326	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+2ACN+2H"	84.067652
"1588919"	333.977628	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+K+HCOOH"	84.968628
"1415913"	364.009138	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+H+CF3COOH"	115.000138
"1147663"	187.051601	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+3ACN+2H"	125.094202
"1701231"	381.035685	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+NH4+CF3COOH"	132.026685
"1634247"	385.99108	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+Na+CF3COOH"	136.98208
"1576908"	401.96502	"C15311"	"NN-Bis(2-chloroethyl)-DL-alanine hydrochloride"	"C7H13Cl2NO2HCl"	"249.009"	"M+K+CF3COOH"	152.95602
"810554"	348.2101	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M"	0
"978622"	329.19171	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-H2O-H"	-19.01839
"64676"	231.132790666667	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M-3H"	-3.021828
"506425"	347.202824	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M-3H"	-3.021828
"886417"	115.062757333333	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-3H"	-3.021828
"7178"	347.202824	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H"	-2.014552
"443457"	521.307874	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H"	-2.014552
"822352"	173.097774	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-2H"	-2.014552
"85625"	695.412924	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M-H"	-1.007276
"532358"	1043.623024	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M-H"	-1.007276
"907365"	347.202824	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-H"	-1.007276
"54085"	712.439471	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H+NH4"	16.019271
"494738"	1060.649571	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H+NH4"	16.019271
"868167"	364.229371	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-2H+NH4"	16.019271
"36066"	717.394866	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H+Na"	20.974666
"473436"	1065.604966	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H+Na"	20.974666
"849171"	369.184766	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-2H+Na"	20.974666
"1619678"	369.184766	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Na-2H"	20.974666
"96217"	365.191163	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M-H+Cl"	33.962126
"536503"	539.296213	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M-H+Cl"	33.962126
"929289"	191.086113	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-H+Cl"	33.962126
"277694"	731.389602	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+Cl"	34.969402
"671209"	1079.599702	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+Cl"	34.969402
"1282518"	383.179502	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl"	34.969402
"15920"	733.368806	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M-2H+K"	36.948606
"458809"	1081.578906	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M-2H+K"	36.948606
"838072"	385.158706	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-2H+K"	36.948606
"1560103"	385.158706	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+K-2H"	36.948606
"944338"	393.208294	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-H+HCOOH"	44.998194
"363646"	741.418401	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+HCOOH-H"	44.998201
"348256"	755.434051	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+Hac-H"	59.013851
"1496725"	407.223951	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Hac-H"	59.013851
"960984"	415.190251	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-H+NaCOOH"	66.980151
"113541"	383.179502	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+2Cl"	69.938804
"553100"	557.284552	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+2Cl"	69.938804
"1024815"	209.074452	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2Cl"	69.938804
"1247674"	427.128985	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Br"	78.918885
"1308664"	429.184972	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl+HCOOH"	80.974872
"1330174"	451.166929	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl+NaCOOH"	102.956829
"922328"	461.195686	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M-H+CF3COOH"	112.985586
"1294660"	497.172364	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Cl+CF3COOH"	148.962264
"1378656"	313.197424	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H-2H2O"	-35.012676
"1390323"	331.2074	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H-H2O"	-17.0027
"285635"	697.427476	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+H"	1.007276
"677691"	1045.637576	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+H"	1.007276
"1357687"	349.217376	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H"	1.007276
"132762"	349.217376	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+2H"	2.014552
"568315"	523.322426	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+2H"	2.014552
"1044401"	175.112326	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2H"	2.014552
"209021"	233.147342666667	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+3H"	3.021828
"650769"	349.217376	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+3H"	3.021828
"1168894"	117.077309333333	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+3H"	3.021828
"429977"	714.454023	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+NH4"	18.033823
"788784"	1062.664123	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+NH4"	18.033823
"1684024"	366.243923	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+NH4"	18.033823
"339955"	357.7306495	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+H+NH4"	19.041099
"730188"	531.8356995	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+H+NH4"	19.041099
"1488382"	183.6255995	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H+NH4"	19.041099
"402687"	719.409418	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+Na"	22.989218
"766602"	1067.619518	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+Na"	22.989218
"1613608"	371.199318	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Na"	22.989218
"326560"	360.208347	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+H+Na"	23.996494
"707560"	534.313397	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+H+Na"	23.996494
"1461382"	186.103297	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H+Na"	23.996494
"1060223"	124.404623333333	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2H+Na"	25.00377
"1265184"	381.243586	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+CH3OH+H"	33.033486
"380109"	735.383358	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+K"	38.963158
"742564"	1083.593458	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+K"	38.963158
"1543888"	387.173258	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+K"	38.963158
"303981"	368.195317	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+H+K"	39.970434
"698589"	542.300367	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+H+K"	39.970434
"1450590"	194.090267	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H+K"	39.970434
"239920"	738.454026	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+ACN+H"	42.033826
"1222479"	390.243926	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+ACN+H"	42.033826
"1207457"	195.625601	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+ACN+2H"	43.041102
"199235"	741.39136	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+2Na-H"	44.97116
"638797"	1089.60146	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+2Na-H"	44.97116
"1142667"	393.18126	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2Na-H"	44.97116
"183042"	371.199318	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+2Na"	45.978436
"624788"	545.304368	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+2Na"	45.978436
"1125741"	197.094268	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2Na"	45.978436
"1406714"	131.731937333333	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H+2Na"	46.985712
"1435549"	395.222846	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H+HCOOH"	47.012746
"226337"	376.23234	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+3H2O+2H"	56.04448
"1517682"	409.27489	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+IsoProp+H"	61.06479
"417371"	379.186288	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+Na+K"	61.952376
"778366"	553.291338	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+Na+K"	61.952376
"1672511"	205.081238	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Na+K"	61.952376
"256844"	760.435968	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+ACN+Na"	64.015768
"1228094"	412.225868	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+ACN+Na"	64.015768
"1717708"	412.249393	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+NH4+HCOOH"	64.039293
"1181967"	139.059251333333	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+3Na"	68.967654
"1659152"	417.204788	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Na+HCOOH"	68.994688
"171238"	773.33924	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+2K-H"	76.91904
"606666"	1121.54934	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+2K-H"	76.91904
"1092272"	425.12914	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2K-H"	76.91904
"156382"	387.173258	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"2M+2K"	77.926316
"595092"	561.278308	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"3M+2K"	77.926316
"1083251"	213.068208	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2K"	77.926316
"1112813"	427.143692	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2K+H"	78.933592
"1347131"	427.231307	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+DMSO+H"	79.021207
"1009461"	431.270476	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2ACN+H"	83.060376
"1525765"	432.264108	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+IsoProp+Na+H"	84.054008
"996956"	216.138876	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+2ACN+2H"	84.067652
"1588181"	433.178728	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+K+HCOOH"	84.968628
"1416388"	463.210238	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+H+CF3COOH"	115.000138
"1148257"	236.652151	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+3ACN+2H"	125.094202
"1702434"	480.236785	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+NH4+CF3COOH"	132.026685
"1634804"	485.19218	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+Na+CF3COOH"	136.98208
"1577018"	501.16612	"C15312"	"9alpha-Fluoro-11beta-hydroxy-4-pregnene-320-dione;11beta-Hydroxy-9alpha-fluoroprogesterone"	"C21H29FO3"	"348.2101"	"M+K+CF3COOH"	152.95602
"813946"	370.178	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M"	0
"980919"	351.15961	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-H2O-H"	-19.01839
"63689"	245.778057333333	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M-3H"	-3.021828
"503858"	369.170724	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M-3H"	-3.021828
"886524"	122.385390666667	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-3H"	-3.021828
"4006"	369.170724	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M-2H"	-2.014552
"446847"	554.259724	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M-2H"	-2.014552
"822462"	184.081724	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-2H"	-2.014552
"85735"	739.348724	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M-H"	-1.007276
"532468"	1109.526724	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M-H"	-1.007276
"910030"	369.170724	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-H"	-1.007276
"57475"	756.375271	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M-2H+NH4"	16.019271
"494848"	1126.553271	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M-2H+NH4"	16.019271
"873744"	386.197271	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-2H+NH4"	16.019271
"38363"	761.330666	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M-2H+Na"	20.974666
"474645"	1131.508666	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M-2H+Na"	20.974666
"852077"	391.152666	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-2H+Na"	20.974666
"1621612"	391.152666	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Na-2H"	20.974666
"96691"	387.159063	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M-H+Cl"	33.962126
"535885"	572.248063	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M-H+Cl"	33.962126
"928306"	202.070063	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-H+Cl"	33.962126
"279265"	775.325402	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+Cl"	34.969402
"672048"	1145.503402	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+Cl"	34.969402
"1284451"	405.147402	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Cl"	34.969402
"16684"	777.304606	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M-2H+K"	36.948606
"458919"	1147.482606	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M-2H+K"	36.948606
"833238"	407.126606	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-2H+K"	36.948606
"1557295"	407.126606	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+K-2H"	36.948606
"945541"	415.176194	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-H+HCOOH"	44.998194
"362174"	785.354201	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+HCOOH-H"	44.998201
"345933"	799.369851	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+Hac-H"	59.013851
"1494648"	429.191851	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Hac-H"	59.013851
"958864"	437.158151	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-H+NaCOOH"	66.980151
"111824"	405.147402	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+2Cl"	69.938804
"552481"	590.236402	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+2Cl"	69.938804
"1024925"	220.058402	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2Cl"	69.938804
"1245961"	449.096885	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Br"	78.918885
"1310232"	451.152872	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Cl+HCOOH"	80.974872
"1323721"	473.134829	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Cl+NaCOOH"	102.956829
"915145"	483.163586	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M-H+CF3COOH"	112.985586
"1289784"	519.140264	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Cl+CF3COOH"	148.962264
"1377307"	335.165324	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H-2H2O"	-35.012676
"1387516"	353.1753	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H-H2O"	-17.0027
"291940"	741.363276	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+H"	1.007276
"681445"	1111.541276	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+H"	1.007276
"1355974"	371.185276	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H"	1.007276
"131778"	371.185276	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+2H"	2.014552
"570611"	556.274276	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+2H"	2.014552
"1044511"	186.096276	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2H"	2.014552
"206215"	247.792609333333	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+3H"	3.021828
"649785"	371.185276	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+3H"	3.021828
"1169004"	124.399942666667	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+3H"	3.021828
"431181"	758.389823	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+NH4"	18.033823
"791082"	1128.567823	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+NH4"	18.033823
"1687414"	388.211823	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+NH4"	18.033823
"340065"	379.6985495	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+H+NH4"	19.041099
"731391"	564.7875495	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+H+NH4"	19.041099
"1487399"	194.6095495	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H+NH4"	19.041099
"402798"	763.345218	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+Na"	22.989218
"768168"	1133.523218	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+Na"	22.989218
"1616632"	393.167218	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Na"	22.989218
"329221"	382.176247	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+H+Na"	23.996494
"717638"	567.265247	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+H+Na"	23.996494
"1469274"	197.087247	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H+Na"	23.996494
"1064707"	131.727256666667	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2H+Na"	25.00377
"1265294"	403.211486	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+CH3OH+H"	33.033486
"384959"	779.319158	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+K"	38.963158
"742675"	1149.497158	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+K"	38.963158
"1543996"	409.141158	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+K"	38.963158
"303361"	390.163217	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+H+K"	39.970434
"696876"	575.252217	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+H+K"	39.970434
"1449608"	205.074217	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H+K"	39.970434
"239301"	782.389826	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+ACN+H"	42.033826
"1215291"	412.211826	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+ACN+H"	42.033826
"1196992"	206.609551	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+ACN+2H"	43.041102
"192782"	785.32716	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+2Na-H"	44.97116
"635624"	1155.50516	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+2Na-H"	44.97116
"1142412"	415.14916	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2Na-H"	44.97116
"184244"	393.167218	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+2Na"	45.978436
"621982"	578.256218	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+2Na"	45.978436
"1125487"	208.078218	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2Na"	45.978436
"1401721"	139.054570666667	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H+2Na"	46.985712
"1435660"	417.190746	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H+HCOOH"	47.012746
"224261"	398.20024	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+3H2O+2H"	56.04448
"1514512"	431.24279	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+IsoProp+H"	61.06479
"417120"	401.154188	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+Na+K"	61.952376
"773010"	586.243188	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+Na+K"	61.952376
"1669341"	216.065188	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Na+K"	61.952376
"256954"	804.371768	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+ACN+Na"	64.015768
"1227839"	434.193768	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+ACN+Na"	64.015768
"1718547"	434.217293	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+NH4+HCOOH"	64.039293
"1189369"	146.381884666667	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+3Na"	68.967654
"1660353"	439.172688	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Na+HCOOH"	68.994688
"167214"	817.27504	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+2K-H"	76.91904
"606779"	1187.45304	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+2K-H"	76.91904
"1093478"	447.09704	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2K-H"	76.91904
"151387"	409.141158	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"2M+2K"	77.926316
"593135"	594.230158	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"3M+2K"	77.926316
"1081901"	224.052158	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2K"	77.926316
"1113895"	449.111592	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2K+H"	78.933592
"1345054"	449.199207	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+DMSO+H"	79.021207
"1009207"	453.238376	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2ACN+H"	83.060376
"1524779"	454.232008	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+IsoProp+Na+H"	84.054008
"995975"	227.122826	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+2ACN+2H"	84.067652
"1589384"	455.146628	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+K+HCOOH"	84.968628
"1415407"	485.178138	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+H+CF3COOH"	115.000138
"1147519"	247.636101	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+3ACN+2H"	125.094202
"1697559"	502.204685	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+NH4+CF3COOH"	132.026685
"1637100"	507.16008	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+Na+CF3COOH"	136.98208
"1577128"	523.13402	"C15313"	"317beta-Diacetoxyestra-135(10)-trien-6-one;317beta-Dihydroxyestra-135(10)-trien-6-one diacetate;6-Oxo-17beta-estradiol diacetate"	"C22H26O5"	"370.178"	"M+K+CF3COOH"	152.95602
"815878"	360.2301	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M"	0
"978841"	341.21171	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-H2O-H"	-19.01839
"65259"	239.146124	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M-3H"	-3.021828
"504454"	359.222824	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M-3H"	-3.021828
"884447"	119.069424	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-3H"	-3.021828
"709"	359.222824	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M-2H"	-2.014552
"444770"	539.337874	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M-2H"	-2.014552
"823665"	179.107774	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-2H"	-2.014552
"85845"	719.452924	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M-H"	-1.007276
"533068"	1079.683024	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M-H"	-1.007276
"911195"	359.222824	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-H"	-1.007276
"61843"	736.479471	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M-2H+NH4"	16.019271
"502459"	1096.709571	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M-2H+NH4"	16.019271
"877135"	376.249371	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-2H+NH4"	16.019271
"43943"	741.434866	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M-2H+Na"	20.974666
"481316"	1101.664966	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M-2H+Na"	20.974666
"852557"	381.204766	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-2H+Na"	20.974666
"1623185"	381.204766	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Na-2H"	20.974666
"100810"	377.211163	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M-H+Cl"	33.962126
"540370"	557.326213	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M-H+Cl"	33.962126
"928417"	197.096113	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-H+Cl"	33.962126
"279740"	755.429602	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+Cl"	34.969402
"672888"	1115.659702	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+Cl"	34.969402
"1284561"	395.199502	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Cl"	34.969402
"19469"	757.408806	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M-2H+K"	36.948606
"460851"	1117.638906	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M-2H+K"	36.948606
"835739"	397.178706	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-2H+K"	36.948606
"1558134"	397.178706	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+K-2H"	36.948606
"946744"	405.228294	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-H+HCOOH"	44.998194
"363501"	765.458401	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+HCOOH-H"	44.998201
"347748"	779.474051	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+Hac-H"	59.013851
"1497674"	419.243951	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Hac-H"	59.013851
"959745"	427.210251	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-H+NaCOOH"	66.980151
"110308"	395.199502	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+2Cl"	69.938804
"554777"	575.314552	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+2Cl"	69.938804
"1024305"	215.084452	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2Cl"	69.938804
"1244978"	439.148985	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Br"	78.918885
"1308155"	441.204972	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Cl+HCOOH"	80.974872
"1323467"	463.186929	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Cl+NaCOOH"	102.956829
"912336"	473.215686	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M-H+CF3COOH"	112.985586
"1288878"	509.192364	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Cl+CF3COOH"	148.962264
"1371585"	325.217424	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H-2H2O"	-35.012676
"1387626"	343.2274	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H-H2O"	-17.0027
"285853"	721.467476	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+H"	1.007276
"679368"	1081.697576	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+H"	1.007276
"1356447"	361.237376	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H"	1.007276
"127513"	361.237376	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+2H"	2.014552
"571448"	541.352426	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+2H"	2.014552
"1042434"	181.122326	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2H"	2.014552
"205228"	241.160676	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+3H"	3.021828
"648799"	361.237376	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+3H"	3.021828
"1171297"	121.083976	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+3H"	3.021828
"430198"	738.494023	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+NH4"	18.033823
"795566"	1098.724123	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+NH4"	18.033823
"1684608"	378.263923	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+NH4"	18.033823
"340175"	369.7506495	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+H+NH4"	19.041099
"731502"	549.8656995	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+H+NH4"	19.041099
"1486416"	189.6355995	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H+NH4"	19.041099
"401814"	743.449418	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+Na"	22.989218
"764998"	1103.679518	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+Na"	22.989218
"1614190"	383.219318	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Na"	22.989218
"327506"	372.228347	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+H+Na"	23.996494
"718840"	552.343397	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+H+Na"	23.996494
"1471570"	192.113297	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H+Na"	23.996494
"1060443"	128.41129	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2H+Na"	25.00377
"1265403"	393.263586	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+CH3OH+H"	33.033486
"380696"	759.423358	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+K"	38.963158
"743877"	1119.653458	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+K"	38.963158
"1541920"	399.193258	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+K"	38.963158
"301282"	380.215317	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+H+K"	39.970434
"694798"	560.330367	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+H+K"	39.970434
"1449715"	200.100267	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H+K"	39.970434
"240139"	762.494026	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+ACN+H"	42.033826
"1215036"	402.263926	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+ACN+H"	42.033826
"1200019"	201.635601	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+ACN+2H"	43.041102
"199452"	765.43136	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+2Na-H"	44.97116
"634640"	1125.66146	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+2Na-H"	44.97116
"1144346"	405.20126	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2Na-H"	44.97116
"183624"	383.219318	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+2Na"	45.978436
"625372"	563.334368	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+2Na"	45.978436
"1127785"	203.104268	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2Na"	45.978436
"1405840"	135.738604	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H+2Na"	46.985712
"1440143"	407.242846	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H+HCOOH"	47.012746
"227652"	388.25234	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+3H2O+2H"	56.04448
"1511341"	421.29489	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+IsoProp+H"	61.06479
"413951"	391.206288	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+Na+K"	61.952376
"777131"	571.321338	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+Na+K"	61.952376
"1669451"	211.091238	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Na+K"	61.952376
"254513"	784.475968	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+ACN+Na"	64.015768
"1229408"	424.245868	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+ACN+Na"	64.015768
"1714037"	424.269393	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+NH4+HCOOH"	64.039293
"1181096"	143.065918	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+3Na"	68.967654
"1656456"	429.224788	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Na+HCOOH"	68.994688
"163317"	797.37924	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+2K-H"	76.91904
"604700"	1157.60934	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+2K-H"	76.91904
"1089577"	437.14914	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2K-H"	76.91904
"146027"	399.193258	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"2M+2K"	77.926316
"585587"	579.308308	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"3M+2K"	77.926316
"1077756"	219.078208	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2K"	77.926316
"1111694"	439.163692	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2K+H"	78.933592
"1340790"	439.251307	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+DMSO+H"	79.021207
"1010410"	443.290476	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2ACN+H"	83.060376
"1524319"	444.284108	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+IsoProp+Na+H"	84.054008
"996088"	222.148876	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+2ACN+2H"	84.067652
"1589494"	445.198728	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+K+HCOOH"	84.968628
"1416613"	475.230238	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+H+CF3COOH"	115.000138
"1147630"	242.662151	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+3ACN+2H"	125.094202
"1704842"	492.256785	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+NH4+CF3COOH"	132.026685
"1636119"	497.21218	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+Na+CF3COOH"	136.98208
"1571770"	513.18612	"C15314"	"11beta17beta-Dihydroxyandrost-4-en-3-one 17-propionate;11beta-Hydroxytestosterone 17-propionate"	"C22H32O4"	"360.2301"	"M+K+CF3COOH"	152.95602
"814166"	286.1933	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M"	0
"977858"	267.17491	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H2O-H"	-19.01839
"63304"	189.788257333333	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-3H"	-3.021828
"503012"	285.186024	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-3H"	-3.021828
"883464"	94.3904906666667	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-3H"	-3.021828
"86"	285.186024	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H"	-2.014552
"443787"	428.282674	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H"	-2.014552
"822682"	142.089374	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H"	-2.014552
"87048"	571.379324	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-H"	-1.007276
"533177"	857.572624	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-H"	-1.007276
"911137"	285.186024	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H"	-1.007276
"62435"	588.405871	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H+NH4"	16.019271
"498348"	874.599171	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H+NH4"	16.019271
"878337"	302.212571	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H+NH4"	16.019271
"40772"	593.361266	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H+Na"	20.974666
"478146"	879.554566	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H+Na"	20.974666
"850843"	307.167966	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H+Na"	20.974666
"1623295"	307.167966	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na-2H"	20.974666
"100920"	303.174363	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-H+Cl"	33.962126
"540480"	446.271013	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-H+Cl"	33.962126
"933995"	160.077713	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+Cl"	33.962126
"280212"	607.356002	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Cl"	34.969402
"670446"	893.549302	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+Cl"	34.969402
"1284671"	321.162702	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl"	34.969402
"26869"	609.335206	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M-2H+K"	36.948606
"465335"	895.528506	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M-2H+K"	36.948606
"840590"	323.141906	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-2H+K"	36.948606
"1558244"	323.141906	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K-2H"	36.948606
"950866"	331.191494	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+HCOOH"	44.998194
"366891"	617.384801	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+HCOOH-H"	44.998201
"352966"	631.400451	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Hac-H"	59.013851
"1498880"	345.207151	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Hac-H"	59.013851
"962774"	353.173451	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+NaCOOH"	66.980151
"114232"	321.162702	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2Cl"	69.938804
"554158"	464.259352	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2Cl"	69.938804
"1022956"	178.066052	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2Cl"	69.938804
"1243993"	365.112185	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Br"	78.918885
"1309358"	367.168172	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl+HCOOH"	80.974872
"1323941"	389.150129	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl+NaCOOH"	102.956829
"913906"	399.178886	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M-H+CF3COOH"	112.985586
"1289515"	435.155564	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Cl+CF3COOH"	148.962264
"1375340"	251.180624	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H-2H2O"	-35.012676
"1390652"	269.1906	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H-H2O"	-17.0027
"285963"	573.393876	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H"	1.007276
"676198"	859.587176	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H"	1.007276
"1355829"	287.200576	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H"	1.007276
"130904"	287.200576	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2H"	2.014552
"569373"	430.297226	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2H"	2.014552
"1040358"	144.103926	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2H"	2.014552
"208257"	191.802809333333	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+3H"	3.021828
"654377"	287.200576	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+3H"	3.021828
"1175782"	96.4050426666667	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+3H"	3.021828
"435774"	590.420423	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+NH4"	18.033823
"798956"	876.613723	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+NH4"	18.033823
"1685446"	304.227123	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+NH4"	18.033823
"337005"	295.7138495	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H+NH4"	19.041099
"730518"	438.8104995	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H+NH4"	19.041099
"1486526"	152.6171995	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+NH4"	19.041099
"400831"	595.375818	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Na"	22.989218
"764015"	881.569118	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+Na"	22.989218
"1614300"	309.182518	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na"	22.989218
"326523"	298.191547	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H+Na"	23.996494
"718950"	441.288197	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H+Na"	23.996494
"1472772"	155.094897	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+Na"	23.996494
"1061646"	103.732356666667	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2H+Na"	25.00377
"1265513"	319.226786	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+CH3OH+H"	33.033486
"386273"	611.349758	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+K"	38.963158
"750550"	897.543058	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+K"	38.963158
"1543488"	325.156458	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K"	38.963158
"301027"	306.178517	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+H+K"	39.970434
"693816"	449.275167	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+H+K"	39.970434
"1448369"	163.081867	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+K"	39.970434
"240250"	614.420426	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+ACN+H"	42.033826
"1215146"	328.227126	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+ACN+H"	42.033826
"1200129"	164.617201	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+ACN+2H"	43.041102
"197375"	617.35776	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2Na-H"	44.97116
"634750"	903.55106	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2Na-H"	44.97116
"1143724"	331.16446	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2Na-H"	44.97116
"183734"	309.182518	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2Na"	45.978436
"624389"	452.279168	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2Na"	45.978436
"1126801"	166.085868	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2Na"	45.978436
"1403764"	111.059670666667	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+2Na"	46.985712
"1436973"	333.206046	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+HCOOH"	47.012746
"221930"	314.21554	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+3H2O+2H"	56.04448
"1510722"	347.25809	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+IsoProp+H"	61.06479
"419890"	317.169488	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+Na+K"	61.952376
"778698"	460.266138	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+Na+K"	61.952376
"1669561"	174.072838	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na+K"	61.952376
"254623"	636.402368	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+ACN+Na"	64.015768
"1230612"	350.209068	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+ACN+Na"	64.015768
"1716216"	350.232593	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+NH4+HCOOH"	64.039293
"1185216"	118.386984666667	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+3Na"	68.967654
"1654743"	355.187988	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na+HCOOH"	68.994688
"162334"	649.30564	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2K-H"	76.91904
"604811"	935.49894	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2K-H"	76.91904
"1088959"	363.11234	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2K-H"	76.91904
"147230"	325.156458	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"2M+2K"	77.926316
"590072"	468.253108	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"3M+2K"	77.926316
"1075681"	182.059808	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2K"	77.926316
"1107794"	365.126892	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2K+H"	78.933592
"1344178"	365.214507	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+DMSO+H"	79.021207
"1006877"	369.253676	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2ACN+H"	83.060376
"1524633"	370.247308	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+IsoProp+Na+H"	84.054008
"992913"	185.130476	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+2ACN+2H"	84.067652
"1589969"	371.161928	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K+HCOOH"	84.968628
"1417451"	401.193438	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+H+CF3COOH"	115.000138
"1149927"	205.643751	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+3ACN+2H"	125.094202
"1704952"	418.219985	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+NH4+CF3COOH"	132.026685
"1636229"	423.17538	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+Na+CF3COOH"	136.98208
"1574067"	439.14932	"C15315"	"1-Methylestra-135(10)-triene-317beta-diol;1-Methylestradiol"	"C19H26O2"	"286.1933"	"M+K+CF3COOH"	152.95602
"815005"	290.261	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M"	0
"977968"	271.24261	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"65116"	192.500057333333	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"503208"	289.253724	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"880153"	95.7463906666667	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"1052"	289.253724	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"440157"	434.384224	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"818051"	144.123224	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"84970"	579.514724	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"525625"	869.775724	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"898687"	289.253724	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"50874"	596.541271	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"502104"	886.802271	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"867516"	306.280271	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"37603"	601.496666	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"474976"	891.757666	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"856059"	311.235666	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1623404"	311.235666	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"103217"	307.242063	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"540590"	452.372563	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"934105"	162.111563	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"281050"	615.491402	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"670556"	905.752402	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1284052"	325.230402	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"26615"	617.470606	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"461070"	907.731606	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"845804"	327.209606	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1566375"	327.209606	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"950976"	335.259194	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"367002"	625.520201	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"351983"	639.535851	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1496441"	349.274851	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"962886"	357.241151	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"114344"	325.230402	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"553905"	470.360902	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1022703"	180.099902	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1245562"	369.179885	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1309834"	371.235872	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1324780"	393.217829	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"914016"	403.246586	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1290357"	439.223264	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1375450"	255.248324	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1390763"	273.2583	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"286073"	581.529276	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"678495"	871.790276	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1355939"	291.268276	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"130650"	291.268276	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"569484"	436.398776	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1038402"	146.137776	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"208367"	194.514609333333	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"654854"	291.268276	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1170427"	97.7609426666667	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"435158"	598.555823	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"793602"	888.816823	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1693212"	308.294823	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"334927"	299.7815495	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"726253"	444.9120495	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1483354"	154.6510495	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"400941"	603.511218	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"763032"	893.772218	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1610035"	313.250218	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"324446"	302.259247	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"707759"	447.389747	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1467415"	157.128747	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1061757"	105.088256666667	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1268176"	323.294486	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"389303"	619.485158	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"747744"	909.746158	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1545059"	329.224158	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"301141"	310.246217	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"691437"	455.376717	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1450667"	165.115717	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"243642"	622.555826	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1211982"	332.294826	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1203522"	166.651051	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"198580"	625.49316	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"637047"	915.75416	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1141651"	335.23216	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"183844"	313.250218	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"624499"	458.380718	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1125818"	168.119718	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1407156"	112.415570666667	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1441459"	337.273746	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"226780"	318.28324	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1513749"	351.32579	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"419999"	321.237188	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"774434"	466.367688	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1666061"	176.106688	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"260565"	644.537768	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1228536"	354.276768	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1719973"	354.300293	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1188607"	119.742884666667	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1653034"	359.255688	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"164270"	657.44104	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"603831"	947.70204	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1090529"	367.18004	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"144789"	329.224158	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"589091"	474.354658	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1073601"	184.093658	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1106811"	369.194592	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1342103"	369.282207	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1007716"	373.321376	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1525840"	374.315008	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"993023"	187.164326	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1589716"	375.229628	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1418655"	405.261138	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1148579"	207.677601	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1705062"	422.287685	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1636339"	427.24308	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1574177"	443.21702	"C15316"	"5alpha-Androstane-2alpha-methyl-17beta-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"814385"	362.2257	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M"	0
"979171"	343.20731	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"63483"	240.476524	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"508066"	361.218424	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"880642"	119.734624	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"551"	361.218424	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"440517"	542.331274	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"818161"	180.105574	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"85080"	723.444124	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"520267"	1085.669824	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"896608"	361.218424	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"49527"	740.470671	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"490181"	1102.696371	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"870901"	378.244971	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"45729"	745.426066	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"472899"	1107.651766	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"856169"	383.200366	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1624607"	383.200366	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"106243"	379.206763	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"540700"	560.319613	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"934215"	198.093913	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"279705"	759.420802	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"669209"	1121.646502	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1282341"	397.195102	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"26725"	761.400006	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"460816"	1123.625706	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"846279"	399.174306	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1566485"	399.174306	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"952179"	407.223894	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"369299"	769.449601	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"350999"	783.465251	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1498736"	421.239551	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"960443"	429.205851	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"113359"	397.195102	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"551097"	578.307952	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1023542"	216.082252	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1243850"	441.144585	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1309216"	443.200572	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1325983"	465.182529	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"914854"	475.211286	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1289008"	511.187964	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1372644"	327.213024	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1391965"	345.223	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"286183"	725.458676	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"679698"	1087.684376	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1356049"	363.232976	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"130031"	363.232976	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"571781"	544.345826	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1038633"	182.120126	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"208478"	242.491076	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"654235"	363.232976	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1172725"	121.749176	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"435632"	742.485223	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"792620"	1104.710923	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1692227"	380.259523	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"341234"	371.7462495	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"729645"	552.8590995	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1486746"	190.6333995	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"402147"	747.440618	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"763872"	1109.666318	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1611239"	385.214918	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"324558"	374.223947	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"708962"	555.336797	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1470806"	193.111097	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1059677"	129.07649	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1267556"	395.259186	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"387223"	763.414558	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"742022"	1125.640258	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1540794"	401.188858	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"298814"	382.210917	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"691605"	563.323767	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1452962"	201.098067	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"242658"	766.485226	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1216464"	404.259526	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1205820"	202.633401	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"200149"	769.42256	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"638250"	1131.64826	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1140664"	407.19686	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"182861"	385.214918	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"623516"	566.327768	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1124835"	204.102068	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1406173"	136.403804	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1437194"	409.238446	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"225797"	390.24794	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1513859"	423.29049	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"417922"	393.201888	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"775637"	574.314738	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1668321"	212.089038	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"257395"	788.467168	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1226823"	426.241468	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1717896"	426.264993	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1188717"	143.731118	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1651682"	431.220388	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"165471"	801.37044	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"602848"	1163.59614	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1090638"	439.14474	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"144173"	401.188858	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"584828"	582.301708	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1071526"	220.076008	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1101819"	441.159292	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1341118"	441.246907	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1008190"	445.286076	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1526314"	446.279708	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"993133"	223.146676	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1587311"	447.194328	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1417671"	477.225838	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1150148"	243.659951	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1697517"	494.252385	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1639729"	499.20778	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1574287"	515.18172	"C15317"	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-320-dione"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"814499"	302.2246	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M"	0
"988033"	283.20621	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"74089"	200.475790666667	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"515837"	301.217324	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"893641"	99.7342573333333	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"5654"	301.217324	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"448494"	452.329624	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"829577"	150.105024	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"91396"	603.441924	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"530958"	905.666524	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"908393"	301.217324	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"58760"	620.468471	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"500867"	922.693071	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"877213"	318.243871	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"44751"	625.423866	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"485404"	927.648466	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"861387"	323.199266	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1629100"	323.199266	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"106360"	319.205663	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"544100"	470.317963	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"935430"	168.093363	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"271799"	639.418602	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"665678"	941.643202	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1273459"	337.194002	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"25751"	641.397806	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"463124"	943.622406	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"843112"	339.173206	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1566597"	339.173206	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"953388"	347.222794	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"371969"	649.447401	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"354393"	663.463051	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1501039"	361.238451	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"967487"	369.204751	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"118581"	337.194002	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"557047"	488.306302	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1031315"	186.081702	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1249802"	381.143485	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1315529"	383.199472	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1329743"	405.181429	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"920802"	415.210186	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1298610"	451.186864	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1375676"	267.211924	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1396087"	285.2219	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"284112"	605.456476	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"680907"	907.681076	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1361627"	303.231876	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"137799"	303.231876	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"575172"	454.344176	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1048344"	152.119576	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"207496"	202.490342666667	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"647056"	303.231876	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1167366"	101.748809333333	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"427360"	622.483023	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"791635"	924.707623	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1689057"	320.258423	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"337337"	311.7451495	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"729756"	462.8574495	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1483578"	160.6328495	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"400070"	627.438418	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"757787"	929.663018	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1605158"	325.213818	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"327599"	314.222847	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"718194"	465.335147	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1473475"	163.110547	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1064896"	109.076123333333	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1269855"	335.258086	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"386606"	643.412358	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"742133"	945.636958	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1549654"	341.187758	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"309018"	322.209817	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"701438"	473.322117	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1451987"	171.097517	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"241682"	646.483026	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1220952"	344.258426	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1207394"	172.632851	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"200629"	649.42036	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"641283"	951.64496	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1142601"	347.19576	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"180787"	325.213818	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"626181"	476.326118	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1124949"	174.101518	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1409568"	116.403437333333	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1443143"	349.237346	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"231017"	330.24684	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1518348"	363.28939	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"421315"	333.200788	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"777936"	484.313088	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1668070"	182.088488	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"256413"	668.464968	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1230215"	366.240368	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1718008"	366.263893	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1181174"	123.730751333333	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1654347"	371.219288	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"161208"	681.36824	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"599676"	983.59284	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1087467"	379.14364	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"143554"	341.187758	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"583479"	492.300058	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1070908"	190.075458	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1101932"	381.158192	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1338679"	381.245807	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1007089"	385.284976	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1525819"	386.278608	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"993247"	193.146126	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1591028"	387.193228	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1417782"	417.224738	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1147583"	213.659401	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1697046"	434.251285	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1636558"	439.20668	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1572210"	455.18062	"C15318"	"17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-Homotestosterone"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"811324"	392.1999	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M"	0
"981579"	373.18151	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-H2O-H"	-19.01839
"65446"	260.459324	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M-3H"	-3.021828
"503546"	391.192624	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M-3H"	-3.021828
"881714"	129.726024	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-3H"	-3.021828
"12325"	391.192624	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M-2H"	-2.014552
"446417"	587.292574	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M-2H"	-2.014552
"830780"	195.092674	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-2H"	-2.014552
"87491"	783.392524	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M-H"	-1.007276
"531065"	1175.592424	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M-H"	-1.007276
"908502"	391.192624	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-H"	-1.007276
"60326"	800.419071	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M-2H+NH4"	16.019271
"498789"	1192.618971	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M-2H+NH4"	16.019271
"876591"	408.219171	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-2H+NH4"	16.019271
"44493"	805.374466	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M-2H+Na"	20.974666
"486605"	1197.574366	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M-2H+Na"	20.974666
"861863"	413.174566	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-2H+Na"	20.974666
"1628117"	413.174566	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Na-2H"	20.974666
"103555"	409.180963	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M-H+Cl"	33.962126
"543116"	605.280913	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M-H+Cl"	33.962126
"935540"	213.081013	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-H+Cl"	33.962126
"273002"	819.369202	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+Cl"	34.969402
"665424"	1211.569102	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+Cl"	34.969402
"1273327"	427.169302	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Cl"	34.969402
"28045"	821.348406	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M-2H+K"	36.948606
"466513"	1213.548306	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M-2H+K"	36.948606
"845408"	429.148506	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-2H+K"	36.948606
"1570962"	429.148506	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+K-2H"	36.948606
"954591"	437.198094	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-H+HCOOH"	44.998194
"370621"	829.398001	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+HCOOH-H"	44.998201
"351223"	843.413651	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+Hac-H"	59.013851
"1502243"	451.213751	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Hac-H"	59.013851
"965411"	459.180051	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-H+NaCOOH"	66.980151
"118691"	427.169302	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+2Cl"	69.938804
"557157"	623.269252	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+2Cl"	69.938804
"1031425"	231.069352	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2Cl"	69.938804
"1253192"	471.118785	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Br"	78.918885
"1318920"	473.174772	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Cl+HCOOH"	80.974872
"1332042"	495.156729	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Cl+NaCOOH"	102.956829
"922005"	505.185486	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M-H+CF3COOH"	112.985586
"1299813"	541.162164	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Cl+CF3COOH"	148.962264
"1377973"	357.187224	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H-2H2O"	-35.012676
"1395467"	375.1972	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H-H2O"	-17.0027
"289690"	785.407076	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+H"	1.007276
"683205"	1177.606976	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+H"	1.007276
"1361740"	393.207176	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H"	1.007276
"136816"	393.207176	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+2H"	2.014552
"575283"	589.307126	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+2H"	2.014552
"1040800"	197.107226	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2H"	2.014552
"207606"	262.473876	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+3H"	3.021828
"645343"	393.207176	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+3H"	3.021828
"1165654"	131.740576	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+3H"	3.021828
"426377"	802.433623	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+NH4"	18.033823
"791744"	1194.633523	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+NH4"	18.033823
"1686981"	410.233723	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+NH4"	18.033823
"337447"	401.7204495	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+H+NH4"	19.041099
"729866"	597.8203995	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+H+NH4"	19.041099
"1484781"	205.6204995	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H+NH4"	19.041099
"402367"	807.389018	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+Na"	22.989218
"760084"	1199.588918	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+Na"	22.989218
"1608184"	415.189118	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Na"	22.989218
"326614"	404.198147	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+H+Na"	23.996494
"717211"	600.298097	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+H+Na"	23.996494
"1471032"	208.098197	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H+Na"	23.996494
"1063184"	139.06789	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2H+Na"	25.00377
"1269235"	425.233386	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+CH3OH+H"	33.033486
"386713"	823.362958	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+K"	38.963158
"744430"	1215.562858	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+K"	38.963158
"1549766"	431.163058	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+K"	38.963158
"305848"	412.185117	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+H+K"	39.970434
"699362"	608.285067	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+H+K"	39.970434
"1453190"	216.085167	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H+K"	39.970434
"242885"	826.433626	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+ACN+H"	42.033826
"1223254"	434.233726	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+ACN+H"	42.033826
"1203854"	217.620501	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+ACN+2H"	43.041102
"198915"	829.37096	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+2Na-H"	44.97116
"639567"	1221.57086	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+2Na-H"	44.97116
"1141978"	437.17106	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2Na-H"	44.97116
"184175"	415.189118	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+2Na"	45.978436
"619363"	611.289068	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+2Na"	45.978436
"1126153"	219.089168	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2Na"	45.978436
"1407488"	146.395204	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H+2Na"	46.985712
"1437419"	439.212646	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H+HCOOH"	47.012746
"228941"	420.22214	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+3H2O+2H"	56.04448
"1519187"	453.26469	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+IsoProp+H"	61.06479
"419237"	423.176088	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+Na+K"	61.952376
"776954"	619.276038	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+Na+K"	61.952376
"1667816"	227.076138	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Na+K"	61.952376
"255429"	848.415568	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+ACN+Na"	64.015768
"1228138"	456.215668	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+ACN+Na"	64.015768
"1718117"	456.239193	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+NH4+HCOOH"	64.039293
"1181285"	153.722518	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+3Na"	68.967654
"1650448"	461.194588	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Na+HCOOH"	68.994688
"159494"	861.31884	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+2K-H"	76.91904
"597595"	1253.51874	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+2K-H"	76.91904
"1086116"	469.11894	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2K-H"	76.91904
"142935"	431.163058	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"2M+2K"	77.926316
"582253"	627.263008	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"3M+2K"	77.926316
"1072840"	235.063108	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2K"	77.926316
"1101676"	471.133492	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2K+H"	78.933592
"1338424"	471.221107	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+DMSO+H"	79.021207
"1008773"	475.260276	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2ACN+H"	83.060376
"1525564"	476.253908	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+IsoProp+Na+H"	84.054008
"991888"	238.133776	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+2ACN+2H"	84.067652
"1590047"	477.168528	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+K+HCOOH"	84.968628
"1418985"	507.200038	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+H+CF3COOH"	115.000138
"1150367"	258.647051	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+3ACN+2H"	125.094202
"1698831"	524.226585	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+NH4+CF3COOH"	132.026685
"1634842"	529.18198	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+Na+CF3COOH"	136.98208
"1574507"	545.15592	"C15319"	"9alpha-Fluoro-11beta17alpha21-trihydroxy-6alpha-methylpregna-14-diene-320-dione;9alpha-Fluoro-6alpha-methylprednisolone"	"C22H29FO5"	"392.1999"	"M+K+CF3COOH"	152.95602
"808154"	378.2206	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M"	0
"981689"	359.20221	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-H2O-H"	-19.01839
"65556"	251.139790666667	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M-3H"	-3.021828
"504385"	377.213324	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M-3H"	-3.021828
"881825"	125.066257333333	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-3H"	-3.021828
"11342"	377.213324	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M-2H"	-2.014552
"443247"	566.323624	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M-2H"	-2.014552
"820319"	188.103024	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-2H"	-2.014552
"87601"	755.433924	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M-H"	-1.007276
"531537"	1133.654524	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M-H"	-1.007276
"909337"	377.213324	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-H"	-1.007276
"60431"	772.460471	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M-2H+NH4"	16.019271
"493431"	1150.681071	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M-2H+NH4"	16.019271
"874513"	394.239871	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-2H+NH4"	16.019271
"43508"	777.415866	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M-2H+Na"	20.974666
"479788"	1155.636466	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M-2H+Na"	20.974666
"858685"	399.195266	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-2H+Na"	20.974666
"1626032"	399.195266	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Na-2H"	20.974666
"105846"	395.201663	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M-H+Cl"	33.962126
"544310"	584.311963	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M-H+Cl"	33.962126
"936731"	206.091363	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-H+Cl"	33.962126
"276390"	791.410602	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+Cl"	34.969402
"668809"	1169.631202	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+Cl"	34.969402
"1279025"	413.190002	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Cl"	34.969402
"25962"	793.389806	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M-2H+K"	36.948606
"463343"	1171.610406	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M-2H+K"	36.948606
"843332"	415.169206	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-2H+K"	36.948606
"1569007"	415.169206	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+K-2H"	36.948606
"951423"	423.218794	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-H+HCOOH"	44.998194
"369639"	801.439401	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+HCOOH-H"	44.998201
"351334"	815.455051	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+Hac-H"	59.013851
"1499072"	437.234451	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Hac-H"	59.013851
"966615"	445.200751	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-H+NaCOOH"	66.980151
"116616"	413.190002	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+2Cl"	69.938804
"559453"	602.300302	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+2Cl"	69.938804
"1030442"	224.079702	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2Cl"	69.938804
"1252209"	457.139485	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Br"	78.918885
"1316480"	459.195472	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Cl+HCOOH"	80.974872
"1332881"	481.177429	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Cl+NaCOOH"	102.956829
"922115"	491.206186	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M-H+CF3COOH"	112.985586
"1301019"	527.182864	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Cl+CF3COOH"	148.962264
"1379177"	343.207924	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H-2H2O"	-35.012676
"1396674"	361.2179	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H-H2O"	-17.0027
"291986"	757.448476	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+H"	1.007276
"683315"	1135.669076	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+H"	1.007276
"1361851"	379.227876	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H"	1.007276
"138385"	379.227876	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+2H"	2.014552
"576486"	568.338176	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+2H"	2.014552
"1040911"	190.117576	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2H"	2.014552
"208811"	253.154342666667	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+3H"	3.021828
"647278"	379.227876	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+3H"	3.021828
"1165403"	127.080809333333	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+3H"	3.021828
"428675"	774.475023	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+NH4"	18.033823
"791853"	1152.695623	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+NH4"	18.033823
"1688187"	396.254423	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+NH4"	18.033823
"338651"	387.7411495	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+H+NH4"	19.041099
"731070"	576.8514495	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+H+NH4"	19.041099
"1485985"	198.6308495	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H+NH4"	19.041099
"402478"	779.430418	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+Na"	22.989218
"757277"	1157.651018	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+Na"	22.989218
"1608294"	401.209818	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Na"	22.989218
"327088"	390.218847	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+H+Na"	23.996494
"717322"	579.329147	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+H+Na"	23.996494
"1467862"	201.108547	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H+Na"	23.996494
"1060014"	134.408123333333	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2H+Na"	25.00377
"1267159"	411.254086	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+CH3OH+H"	33.033486
"385730"	795.404358	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+K"	38.963158
"741623"	1173.624958	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+K"	38.963158
"1547689"	417.183758	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+K"	38.963158
"307054"	398.205817	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+H+K"	39.970434
"695100"	587.316117	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+H+K"	39.970434
"1455488"	209.095517	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H+K"	39.970434
"242996"	798.475026	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+ACN+H"	42.033826
"1224092"	420.254426	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+ACN+H"	42.033826
"1203964"	210.630851	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+ACN+2H"	43.041102
"200847"	801.41236	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+2Na-H"	44.97116
"639677"	1179.63296	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+2Na-H"	44.97116
"1140995"	423.19176	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2Na-H"	44.97116
"183192"	401.209818	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+2Na"	45.978436
"619837"	590.320118	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+2Na"	45.978436
"1126263"	212.099518	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2Na"	45.978436
"1408691"	141.735437333333	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H+2Na"	46.985712
"1437528"	425.233346	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H+HCOOH"	47.012746
"230145"	406.24284	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+3H2O+2H"	56.04448
"1520754"	439.28539	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+IsoProp+H"	61.06479
"420441"	409.196788	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+Na+K"	61.952376
"780345"	598.307088	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+Na+K"	61.952376
"1672301"	220.086488	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Na+K"	61.952376
"257727"	820.456968	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+ACN+Na"	64.015768
"1231531"	442.236368	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+ACN+Na"	64.015768
"1716041"	442.259893	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+NH4+HCOOH"	64.039293
"1181396"	149.062751333333	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+3Na"	68.967654
"1654568"	447.215288	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Na+HCOOH"	68.994688
"159605"	833.36024	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+2K-H"	76.91904
"598798"	1211.58084	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+2K-H"	76.91904
"1086226"	455.13964	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2K-H"	76.91904
"143776"	417.183758	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"2M+2K"	77.926316
"583334"	606.294058	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"3M+2K"	77.926316
"1071492"	228.073458	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2K"	77.926316
"1102028"	457.154192	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2K+H"	78.933592
"1338533"	457.241807	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+DMSO+H"	79.021207
"1009253"	461.280976	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2ACN+H"	83.060376
"1527376"	462.274608	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+IsoProp+Na+H"	84.054008
"992362"	231.144126	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+2ACN+2H"	84.067652
"1591249"	463.189228	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+K+HCOOH"	84.968628
"1415814"	493.220738	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+H+CF3COOH"	115.000138
"1147433"	251.657401	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+3ACN+2H"	125.094202
"1698941"	510.247285	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+NH4+CF3COOH"	132.026685
"1634952"	515.20268	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+Na+CF3COOH"	136.98208
"1574617"	531.17662	"C15320"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregn-4-ene-320-dione;21-Fluoro-11beta17-dihydroxy-6alpha-methylprogesterone"	"C22H31FO4"	"378.2206"	"M+K+CF3COOH"	152.95602
"808264"	362.2257	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M"	0
"981799"	343.20731	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"65666"	240.476524	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"506320"	361.218424	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"881206"	119.734624	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"2699"	361.218424	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"445176"	542.331274	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"822250"	180.105574	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"87710"	723.444124	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"518635"	1085.669824	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"901792"	361.218424	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"49605"	740.470671	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"496822"	1102.696371	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"872437"	378.244971	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"45806"	745.426066	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"485366"	1107.651766	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"859888"	383.200366	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1632703"	383.200366	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"107778"	379.206763	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"544420"	560.319613	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"934654"	198.093913	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"274314"	759.420802	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"667097"	1121.646502	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1279499"	397.195102	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"27165"	761.400006	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"460173"	1123.625706	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"842349"	399.174306	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1564743"	399.174306	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"949346"	407.223894	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"368654"	769.449601	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"353630"	783.465251	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1501368"	421.239551	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"967815"	429.205851	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"118910"	397.195102	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"555189"	578.307952	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1029456"	216.082252	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1250861"	441.144585	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1317682"	443.200572	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1326793"	465.182529	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"918944"	475.211286	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1301127"	511.187964	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1378921"	327.213024	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1396781"	345.223	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"292095"	725.458676	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"687797"	1087.684376	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1364145"	363.232976	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"132660"	363.232976	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"573314"	544.345826	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1042114"	182.120126	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"210014"	242.491076	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"648481"	363.232976	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1166606"	121.749176	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"428784"	742.485223	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"793057"	1104.710923	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1690483"	380.259523	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"339853"	371.7462495	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"733367"	552.8590995	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1487188"	190.6333995	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"401494"	747.440618	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"759210"	1109.666318	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1608404"	385.214918	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"328900"	374.223947	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"720712"	555.336797	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1466877"	193.111097	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1060124"	129.07649	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1269455"	395.259186	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"389120"	763.414558	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"743920"	1125.640258	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1549985"	401.188858	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"308256"	382.210917	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"698489"	563.323767	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1452317"	201.098067	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"240915"	766.485226	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1217998"	404.259526	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1204074"	202.633401	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"201321"	769.42256	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"639787"	1131.64826	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1141105"	407.19686	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"181115"	385.214918	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"622862"	566.327768	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1127465"	204.102068	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1409894"	136.403804	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1438731"	409.238446	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"230618"	390.24794	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1520500"	423.29049	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"419457"	393.201888	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"780455"	574.314738	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1670225"	212.089038	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"255651"	788.467168	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1231642"	426.241468	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1718339"	426.264993	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1181506"	143.731118	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1655771"	431.220388	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"168099"	801.37044	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"601100"	1163.59614	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1085611"	439.14474	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"145709"	401.188858	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"584176"	582.301708	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1076342"	220.076008	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1104085"	441.159292	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1339376"	441.246907	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1008996"	445.286076	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1526394"	446.279708	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"993932"	223.146676	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1589172"	447.194328	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1414831"	477.225838	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1147304"	243.659951	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1699051"	494.252385	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1635426"	499.20778	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1574727"	515.18172	"C15321"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"808374"	366.237	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M"	0
"981909"	347.21861	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-H2O-H"	-19.01839
"67963"	243.150724	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M-3H"	-3.021828
"506430"	365.229724	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M-3H"	-3.021828
"882046"	121.071724	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-3H"	-3.021828
"3902"	365.229724	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M-2H"	-2.014552
"442371"	548.348224	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M-2H"	-2.014552
"822361"	182.111224	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-2H"	-2.014552
"86727"	731.466724	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M-H"	-1.007276
"518749"	1097.703724	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M-H"	-1.007276
"899716"	365.229724	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-H"	-1.007276
"50079"	748.493271	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M-2H+NH4"	16.019271
"495839"	1114.730271	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M-2H+NH4"	16.019271
"872547"	382.256271	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-2H+NH4"	16.019271
"44823"	753.448666	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M-2H+Na"	20.974666
"484383"	1119.685666	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M-2H+Na"	20.974666
"857812"	387.211666	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-2H+Na"	20.974666
"1628441"	387.211666	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Na-2H"	20.974666
"103880"	383.218063	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M-H+Cl"	33.962126
"544531"	566.336563	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M-H+Cl"	33.962126
"932578"	200.099563	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-H+Cl"	33.962126
"276610"	767.443402	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+Cl"	34.969402
"667935"	1133.680402	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+Cl"	34.969402
"1277423"	401.206402	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Cl"	34.969402
"25089"	769.422606	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M-2H+K"	36.948606
"459544"	1135.659606	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M-2H+K"	36.948606
"841362"	403.185606	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-2H+K"	36.948606
"1561568"	403.185606	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+K-2H"	36.948606
"948357"	411.235194	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-H+HCOOH"	44.998194
"364381"	777.472201	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+HCOOH-H"	44.998201
"354830"	791.487851	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+Hac-H"	59.013851
"1501478"	425.250851	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Hac-H"	59.013851
"967925"	433.217151	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-H+NaCOOH"	66.980151
"119020"	401.206402	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+2Cl"	69.938804
"554206"	584.324902	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+2Cl"	69.938804
"1029566"	218.087902	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2Cl"	69.938804
"1252064"	445.155885	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Br"	78.918885
"1315970"	447.211872	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Cl+HCOOH"	80.974872
"1331277"	469.193829	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Cl+NaCOOH"	102.956829
"919054"	479.222586	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M-H+CF3COOH"	112.985586
"1303423"	515.199264	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Cl+CF3COOH"	148.962264
"1382546"	331.224324	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H-2H2O"	-35.012676
"1397257"	349.2343	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H-H2O"	-17.0027
"298282"	733.481276	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+H"	1.007276
"691151"	1099.718276	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+H"	1.007276
"1366444"	367.244276	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H"	1.007276
"136051"	367.244276	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+2H"	2.014552
"578528"	550.362776	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+2H"	2.014552
"1042224"	184.125776	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2H"	2.014552
"210124"	245.165276	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+3H"	3.021828
"650778"	367.244276	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+3H"	3.021828
"1168903"	123.086276	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+3H"	3.021828
"427801"	750.507823	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+NH4"	18.033823
"793169"	1116.744823	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+NH4"	18.033823
"1689501"	384.270823	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+NH4"	18.033823
"339965"	375.7575495	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+H+NH4"	19.041099
"734573"	558.8760495	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+H+NH4"	19.041099
"1488393"	192.6390495	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H+NH4"	19.041099
"404886"	755.463218	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+Na"	22.989218
"762600"	1121.700218	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+Na"	22.989218
"1611795"	389.226218	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Na"	22.989218
"326215"	378.235247	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+H+Na"	23.996494
"714262"	561.353747	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+H+Na"	23.996494
"1466258"	195.116747	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H+Na"	23.996494
"1059141"	130.41359	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2H+Na"	25.00377
"1265192"	399.270486	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+CH3OH+H"	33.033486
"385951"	771.437158	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+K"	38.963158
"749133"	1137.674158	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+K"	38.963158
"1544625"	405.200158	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+K"	38.963158
"299084"	386.222217	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+H+K"	39.970434
"692031"	569.340717	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+H+K"	39.970434
"1451326"	203.103717	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H+K"	39.970434
"243212"	774.507826	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+ACN+H"	42.033826
"1218108"	408.270826	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+ACN+H"	42.033826
"1199807"	204.639051	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+ACN+2H"	43.041102
"201067"	777.44516	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+2Na-H"	44.97116
"636615"	1143.68216	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+2Na-H"	44.97116
"1140121"	411.20816	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2Na-H"	44.97116
"179402"	389.226218	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+2Na"	45.978436
"621878"	572.344718	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+2Na"	45.978436
"1123561"	206.107718	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2Na"	45.978436
"1407817"	137.740904	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H+2Na"	46.985712
"1437748"	413.249746	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H+HCOOH"	47.012746
"232550"	394.25924	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+3H2O+2H"	56.04448
"1517694"	427.30179	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+IsoProp+H"	61.06479
"419567"	397.213188	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+Na+K"	61.952376
"780564"	580.331688	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+Na+K"	61.952376
"1671428"	214.094688	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Na+K"	61.952376
"255761"	796.489768	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+ACN+Na"	64.015768
"1232845"	430.252768	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+ACN+Na"	64.015768
"1718449"	430.276293	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+NH4+HCOOH"	64.039293
"1181616"	145.068218	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+3Na"	68.967654
"1654788"	435.231688	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Na+HCOOH"	68.994688
"164929"	809.39304	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+2K-H"	76.91904
"599145"	1175.63004	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+2K-H"	76.91904
"1085721"	443.15604	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2K-H"	76.91904
"148006"	405.200158	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"2M+2K"	77.926316
"581974"	588.318658	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"3M+2K"	77.926316
"1074265"	222.081658	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2K"	77.926316
"1103102"	445.170592	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2K+H"	78.933592
"1346046"	445.258207	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+DMSO+H"	79.021207
"1009111"	449.297376	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2ACN+H"	83.060376
"1528330"	450.291008	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+IsoProp+Na+H"	84.054008
"992950"	225.152326	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+2ACN+2H"	84.067652
"1589282"	451.205628	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+K+HCOOH"	84.968628
"1416035"	481.237138	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+H+CF3COOH"	115.000138
"1148510"	245.665601	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+3ACN+2H"	125.094202
"1698061"	498.263685	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+NH4+CF3COOH"	132.026685
"1636265"	503.21908	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+Na+CF3COOH"	136.98208
"1572650"	519.19302	"C15322"	"2alpha3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	"C22H32F2O2"	"366.237"	"M+K+CF3COOH"	152.95602
"808484"	284.1776	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M"	0
"985299"	265.15921	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-H2O-H"	-19.01839
"71353"	188.444457333333	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M-3H"	-3.021828
"506540"	283.170324	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M-3H"	-3.021828
"883249"	93.7185906666667	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-3H"	-3.021828
"4012"	283.170324	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M-2H"	-2.014552
"441385"	425.259124	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M-2H"	-2.014552
"819189"	141.081524	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-2H"	-2.014552
"84650"	567.347924	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M-H"	-1.007276
"518697"	851.525524	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M-H"	-1.007276
"896659"	283.170324	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-H"	-1.007276
"47432"	584.374471	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M-2H+NH4"	16.019271
"495949"	868.552071	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M-2H+NH4"	16.019271
"871564"	300.196871	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-2H+NH4"	16.019271
"40560"	589.329866	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M-2H+Na"	20.974666
"481213"	873.507466	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M-2H+Na"	20.974666
"856828"	305.152266	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-2H+Na"	20.974666
"1627457"	305.152266	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Na-2H"	20.974666
"101805"	301.158663	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M-H+Cl"	33.962126
"543549"	443.247463	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M-H+Cl"	33.962126
"935968"	159.069863	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-H+Cl"	33.962126
"275627"	603.324602	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+Cl"	34.969402
"664765"	887.502202	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+Cl"	34.969402
"1277897"	319.147002	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Cl"	34.969402
"24106"	605.303806	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M-2H+K"	36.948606
"461479"	889.481406	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M-2H+K"	36.948606
"838192"	321.126206	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-2H+K"	36.948606
"1561678"	321.126206	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+K-2H"	36.948606
"948467"	329.175794	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-H+HCOOH"	44.998194
"363035"	613.353401	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+HCOOH-H"	44.998201
"348379"	627.369051	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+Hac-H"	59.013851
"1500495"	343.191451	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Hac-H"	59.013851
"968035"	351.157751	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-H+NaCOOH"	66.980151
"119130"	319.147002	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+2Cl"	69.938804
"557596"	461.235802	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+2Cl"	69.938804
"1029676"	177.058202	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2Cl"	69.938804
"1249258"	363.096485	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Br"	78.918885
"1317539"	365.152472	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Cl+HCOOH"	80.974872
"1333210"	387.134429	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Cl+NaCOOH"	102.956829
"922444"	397.163186	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M-H+CF3COOH"	112.985586
"1302439"	433.139864	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Cl+CF3COOH"	148.962264
"1381696"	249.164924	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H-2H2O"	-35.012676
"1397248"	267.1749	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H-H2O"	-17.0027
"297419"	569.362476	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+H"	1.007276
"689477"	853.540076	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+H"	1.007276
"1364731"	285.184876	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H"	1.007276
"136160"	285.184876	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+2H"	2.014552
"577908"	427.273676	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+2H"	2.014552
"1042334"	143.096076	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2H"	2.014552
"209141"	190.459009333333	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+3H"	3.021828
"649795"	285.184876	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+3H"	3.021828
"1165732"	95.7331426666667	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+3H"	3.021828
"431189"	586.389023	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+NH4"	18.033823
"792185"	870.566623	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+NH4"	18.033823
"1689610"	302.211423	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+NH4"	18.033823
"338983"	293.6981495	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+H+NH4"	19.041099
"733589"	435.7869495	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+H+NH4"	19.041099
"1488503"	151.6093495	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H+NH4"	19.041099
"404629"	591.344418	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+Na"	22.989218
"762710"	875.522018	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+Na"	22.989218
"1610812"	307.166818	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Na"	22.989218
"326325"	296.175847	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+H+Na"	23.996494
"714372"	438.264647	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+H+Na"	23.996494
"1466005"	154.087047	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H+Na"	23.996494
"1059251"	103.060456666667	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2H+Na"	25.00377
"1263117"	317.211086	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+CH3OH+H"	33.033486
"386061"	607.318358	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+K"	38.963158
"747057"	891.495958	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+K"	38.963158
"1542546"	323.140758	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+K"	38.963158
"299112"	304.162817	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+H+K"	39.970434
"692626"	446.251617	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+H+K"	39.970434
"1448156"	162.074017	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H+K"	39.970434
"240042"	610.389026	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+ACN+H"	42.033826
"1214938"	326.211426	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+ACN+H"	42.033826
"1199187"	163.609351	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+ACN+2H"	43.041102
"194977"	613.32636	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+2Na-H"	44.97116
"635631"	897.50396	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+2Na-H"	44.97116
"1137316"	329.14876	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2Na-H"	44.97116
"175867"	307.166818	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+2Na"	45.978436
"620896"	449.255618	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+2Na"	45.978436
"1120757"	165.078018	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2Na"	45.978436
"1403554"	110.387770666667	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H+2Na"	46.985712
"1434578"	331.190346	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H+HCOOH"	47.012746
"233023"	312.19984	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+3H2O+2H"	56.04448
"1517804"	345.24239	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+IsoProp+H"	61.06479
"421864"	315.153788	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+Na+K"	61.952376
"782861"	457.242588	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+Na+K"	61.952376
"1675912"	173.064988	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Na+K"	61.952376
"252591"	632.370968	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+ACN+Na"	64.015768
"1232955"	348.193368	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+ACN+Na"	64.015768
"1720746"	348.216893	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+NH4+HCOOH"	64.039293
"1183914"	117.715084666667	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+3Na"	68.967654
"1655993"	353.172288	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Na+HCOOH"	68.994688
"161759"	645.27424	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+2K-H"	76.91904
"599132"	929.45184	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+2K-H"	76.91904
"1086925"	361.09664	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2K-H"	76.91904
"148116"	323.140758	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"2M+2K"	77.926316
"582331"	465.229558	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"3M+2K"	77.926316
"1079843"	181.051958	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2K"	77.926316
"1102118"	363.111192	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2K+H"	78.933592
"1345063"	363.198807	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+DMSO+H"	79.021207
"1010314"	367.237976	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2ACN+H"	83.060376
"1533907"	368.231608	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+IsoProp+Na+H"	84.054008
"991604"	184.122626	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+2ACN+2H"	84.067652
"1588784"	369.146228	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+K+HCOOH"	84.968628
"1415173"	399.177738	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+H+CF3COOH"	115.000138
"1150807"	204.635901	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+3ACN+2H"	125.094202
"1700360"	416.204285	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+NH4+CF3COOH"	132.026685
"1637104"	421.15968	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+Na+CF3COOH"	136.98208
"1572029"	437.13362	"C15323"	"3-Hydroxy-1-methylestra-135(10)-trien-17-one;1-Methylestrone"	"C19H24O2"	"284.1776"	"M+K+CF3COOH"	152.95602
"816894"	374.2457	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M"	0
"985410"	355.22731	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H2O-H"	-19.01839
"71466"	248.489857333333	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-3H"	-3.021828
"507744"	373.238424	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-3H"	-3.021828
"887737"	123.741290666667	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-3H"	-3.021828
"8501"	373.238424	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H"	-2.014552
"442956"	560.361274	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H"	-2.014552
"824769"	186.115574	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H"	-2.014552
"81480"	747.484124	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-H"	-1.007276
"521039"	1121.729824	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-H"	-1.007276
"899936"	373.238424	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H"	-1.007276
"55404"	764.510671	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H+NH4"	16.019271
"494967"	1138.756371	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H+NH4"	16.019271
"873862"	390.264971	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H+NH4"	16.019271
"40674"	769.466066	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H+Na"	20.974666
"481325"	1143.711766	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H+Na"	20.974666
"859129"	395.220366	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H+Na"	20.974666
"1626480"	395.220366	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na-2H"	20.974666
"102280"	391.226763	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-H+Cl"	33.962126
"539653"	578.349613	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-H+Cl"	33.962126
"933168"	204.103913	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+Cl"	33.962126
"280114"	783.460802	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Cl"	34.969402
"673995"	1157.706502	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+Cl"	34.969402
"1286029"	409.215102	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl"	34.969402
"30175"	785.440006	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H+K"	36.948606
"470100"	1159.685706	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H+K"	36.948606
"840489"	411.194306	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H+K"	36.948606
"1563976"	411.194306	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K-2H"	36.948606
"944568"	419.243894	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+HCOOH"	44.998194
"363877"	793.489601	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+HCOOH-H"	44.998201
"347757"	807.505251	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Hac-H"	59.013851
"1506807"	433.259551	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Hac-H"	59.013851
"969242"	441.225851	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+NaCOOH"	66.980151
"122524"	409.215102	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2Cl"	69.938804
"562815"	596.337952	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2Cl"	69.938804
"1033071"	222.092252	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2Cl"	69.938804
"1250097"	453.164585	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Br"	78.918885
"1318378"	455.220572	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl+HCOOH"	80.974872
"1329312"	477.202529	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl+NaCOOH"	102.956829
"922556"	487.231286	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+CF3COOH"	112.985586
"1302551"	523.207964	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl+CF3COOH"	148.962264
"1382212"	339.233024	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H-2H2O"	-35.012676
"1397886"	357.243	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H-H2O"	-17.0027
"297534"	749.498676	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H"	1.007276
"691087"	1123.744376	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H"	1.007276
"1366627"	375.252976	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H"	1.007276
"141011"	375.252976	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2H"	2.014552
"580205"	562.375826	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2H"	2.014552
"1051923"	188.130126	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2H"	2.014552
"219095"	250.504409333333	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+3H"	3.021828
"659510"	375.252976	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+3H"	3.021828
"1170218"	125.755842666667	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+3H"	3.021828
"430210"	766.525223	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+NH4"	18.033823
"792297"	1140.770923	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+NH4"	18.033823
"1688628"	392.279523	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+NH4"	18.033823
"340187"	383.7662495	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H+NH4"	19.041099
"732609"	570.8890995	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H+NH4"	19.041099
"1487522"	196.6433995	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+NH4"	19.041099
"406198"	771.480618	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Na"	22.989218
"762826"	1145.726318	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+Na"	22.989218
"1608737"	397.234918	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na"	22.989218
"326435"	386.243947	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H+Na"	23.996494
"711203"	573.366797	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H+Na"	23.996494
"1468302"	199.121097	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+Na"	23.996494
"1067015"	133.083156666667	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2H+Na"	25.00377
"1265413"	407.279186	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+CH3OH+H"	33.033486
"388359"	787.454558	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+K"	38.963158
"741332"	1161.700258	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+K"	38.963158
"1543751"	413.208858	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K"	38.963158
"300561"	394.230917	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H+K"	39.970434
"692621"	581.353767	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H+K"	39.970434
"1453740"	207.108067	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+K"	39.970434
"241249"	790.525226	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+ACN+H"	42.033826
"1218332"	416.279526	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+ACN+H"	42.033826
"1200026"	208.643401	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+ACN+2H"	43.041102
"198372"	793.46256	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2Na-H"	44.97116
"632827"	1167.70826	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2Na-H"	44.97116
"1139250"	419.21686	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2Na-H"	44.97116
"178530"	397.234918	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2Na"	45.978436
"622103"	584.357768	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2Na"	45.978436
"1123422"	210.112068	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2Na"	45.978436
"1408040"	140.410470666667	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+2Na"	46.985712
"1442343"	421.258446	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+HCOOH"	47.012746
"230953"	402.26794	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+3H2O+2H"	56.04448
"1519743"	435.31049	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+IsoProp+H"	61.06479
"421615"	405.221888	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Na+K"	61.952376
"784795"	592.344738	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+Na+K"	61.952376
"1679303"	218.099038	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na+K"	61.952376
"262544"	812.507168	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+ACN+Na"	64.015768
"1237438"	438.261468	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+ACN+Na"	64.015768
"1719765"	438.284993	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+NH4+HCOOH"	64.039293
"1185118"	147.737784666667	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+3Na"	68.967654
"1660478"	443.240388	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na+HCOOH"	68.994688
"167339"	825.41044	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2K-H"	76.91904
"602524"	1199.65614	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2K-H"	76.91904
"1090318"	451.16474	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2K-H"	76.91904
"145313"	413.208858	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2K"	77.926316
"585603"	600.331708	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2K"	77.926316
"1076675"	226.086008	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2K"	77.926316
"1108791"	453.179292	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2K+H"	78.933592
"1345174"	453.266907	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+DMSO+H"	79.021207
"1012614"	457.306076	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2ACN+H"	83.060376
"1532925"	458.299708	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+IsoProp+Na+H"	84.054008
"993905"	229.156676	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2ACN+2H"	84.067652
"1592784"	459.214328	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K+HCOOH"	84.968628
"1422816"	489.245838	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+CF3COOH"	115.000138
"1148735"	249.669951	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+3ACN+2H"	125.094202
"1700471"	506.272385	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+NH4+CF3COOH"	132.026685
"1635394"	511.22778	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na+CF3COOH"	136.98208
"1571774"	527.20172	"C15324"	"Androst-4-ene-3beta17beta-diol diacetate;3beta17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K+CF3COOH"	152.95602
"808704"	267.1259	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M"	0
"980051"	248.10751	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-H2O-H"	-19.01839
"69386"	177.076657333333	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M-3H"	-3.021828
"504573"	266.118624	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M-3H"	-3.021828
"881281"	88.0346906666667	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-3H"	-3.021828
"261"	266.118624	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M-2H"	-2.014552
"442698"	399.681574	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M-2H"	-2.014552
"820500"	132.555674	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-2H"	-2.014552
"84871"	533.244524	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M-H"	-1.007276
"519081"	800.370424	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M-H"	-1.007276
"896886"	266.118624	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-H"	-1.007276
"52234"	550.271071	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M-2H+NH4"	16.019271
"496170"	817.396971	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M-2H+NH4"	16.019271
"873972"	283.145171	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-2H+NH4"	16.019271
"42967"	555.226466	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M-2H+Na"	20.974666
"480342"	822.352366	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M-2H+Na"	20.974666
"860332"	288.100566	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-2H+Na"	20.974666
"1629865"	288.100566	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Na-2H"	20.974666
"106397"	284.106963	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M-H+Cl"	33.962126
"544498"	417.669913	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M-H+Cl"	33.962126
"936191"	150.544013	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-H+Cl"	33.962126
"280220"	569.221202	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+Cl"	34.969402
"674226"	836.347102	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+Cl"	34.969402
"1286138"	302.095302	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Cl"	34.969402
"30042"	571.200406	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M-2H+K"	36.948606
"468994"	838.326306	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M-2H+K"	36.948606
"837319"	304.074506	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-2H+K"	36.948606
"1558619"	304.074506	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+K-2H"	36.948606
"943949"	312.124094	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-H+HCOOH"	44.998194
"361800"	579.250001	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+HCOOH-H"	44.998201
"348594"	593.265651	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+Hac-H"	59.013851
"1504728"	326.139751	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Hac-H"	59.013851
"968259"	334.106051	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-H+NaCOOH"	66.980151
"118258"	302.095302	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+2Cl"	69.938804
"563290"	435.658252	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+2Cl"	69.938804
"1035370"	168.532352	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2Cl"	69.938804
"1252756"	346.044785	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Br"	78.918885
"1318488"	348.100772	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Cl+HCOOH"	80.974872
"1331609"	370.082729	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Cl+NaCOOH"	102.956829
"925946"	380.111486	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M-H+CF3COOH"	112.985586
"1302296"	416.088164	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Cl+CF3COOH"	148.962264
"1379726"	232.113224	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H-2H2O"	-35.012676
"1398082"	250.1232	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H-H2O"	-17.0027
"297161"	535.259076	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+H"	1.007276
"690919"	802.384976	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+H"	1.007276
"1366621"	268.133176	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H"	1.007276
"140027"	268.133176	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+2H"	2.014552
"573754"	401.696126	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+2H"	2.014552
"1052753"	134.570226	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2H"	2.014552
"219084"	179.091209333333	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+3H"	3.021828
"659011"	268.133176	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+3H"	3.021828
"1170328"	90.0492426666667	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+3H"	3.021828
"432505"	552.285623	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+NH4"	18.033823
"791315"	819.411523	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+NH4"	18.033823
"1694206"	285.159723	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+NH4"	18.033823
"340297"	276.6464495	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+H+NH4"	19.041099
"733812"	410.2093995	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+H+NH4"	19.041099
"1489818"	143.0834995	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H+NH4"	19.041099
"405215"	557.241018	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+Na"	22.989218
"765123"	824.366918	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+Na"	22.989218
"1615407"	290.115118	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Na"	22.989218
"328003"	279.124147	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+H+Na"	23.996494
"717874"	412.687097	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+H+Na"	23.996494
"1474971"	145.561197	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H+Na"	23.996494
"1066031"	97.3765566666667	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2H+Na"	25.00377
"1270990"	300.159386	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+CH3OH+H"	33.033486
"388470"	573.214958	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+K"	38.963158
"749467"	840.340858	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+K"	38.963158
"1543862"	306.089058	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+K"	38.963158
"302131"	287.111117	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+H+K"	39.970434
"693825"	420.674067	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+H+K"	39.970434
"1451664"	153.548167	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H+K"	39.970434
"245731"	576.285626	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+ACN+H"	42.033826
"1218438"	309.159726	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+ACN+H"	42.033826
"1201229"	155.083501	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+ACN+2H"	43.041102
"194108"	579.22296	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+2Na-H"	44.97116
"636215"	846.34886	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+2Na-H"	44.97116
"1141546"	312.09706	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2Na-H"	44.97116
"181556"	290.115118	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+2Na"	45.978436
"622936"	423.678068	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+2Na"	45.978436
"1122434"	156.552168	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2Na"	45.978436
"1408150"	104.703870666667	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H+2Na"	46.985712
"1442453"	314.138646	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H+HCOOH"	47.012746
"232881"	295.14814	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+3H2O+2H"	56.04448
"1521308"	328.19069	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+IsoProp+H"	61.06479
"422090"	298.102088	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+Na+K"	61.952376
"785269"	431.665038	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+Na+K"	61.952376
"1678320"	164.539138	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Na+K"	61.952376
"263747"	598.267568	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+ACN+Na"	64.015768
"1233174"	331.141668	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+ACN+Na"	64.015768
"1719875"	331.165193	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+NH4+HCOOH"	64.039293
"1185228"	112.031184666667	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+3Na"	68.967654
"1660588"	336.120588	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Na+HCOOH"	68.994688
"169635"	611.17084	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+2K-H"	76.91904
"601541"	878.29674	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+2K-H"	76.91904
"1091522"	344.04494	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2K-H"	76.91904
"143600"	306.089058	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"2M+2K"	77.926316
"583159"	439.652008	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"3M+2K"	77.926316
"1074598"	172.526108	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2K"	77.926316
"1103432"	346.059492	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2K+H"	78.933592
"1339816"	346.147107	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+DMSO+H"	79.021207
"1008347"	350.186276	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2ACN+H"	83.060376
"1525863"	351.179908	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+IsoProp+Na+H"	84.054008
"992921"	175.596776	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+2ACN+2H"	84.067652
"1593987"	352.094528	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+K+HCOOH"	84.968628
"1419646"	382.126038	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+H+CF3COOH"	115.000138
"1148845"	196.110051	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+3ACN+2H"	125.094202
"1698394"	399.152585	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+NH4+CF3COOH"	132.026685
"1634531"	404.10798	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+Na+CF3COOH"	136.98208
"1572250"	420.08192	"C15325"	"6-Azaequilenin;3-Hydroxy-6-azaestra-135(10)68-pentaen-17-one"	"C17H17NO2"	"267.1259"	"M+K+CF3COOH"	152.95602
"811001"	290.2246	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M"	0
"979068"	271.20621	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"68403"	192.475790666667	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"502936"	289.217324	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"880298"	95.7342573333333	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"453"	289.217324	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"440377"	434.329624	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"818788"	144.105024	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"81701"	579.441924	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"518705"	869.666524	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"895899"	289.217324	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"50156"	596.468471	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"488016"	886.693071	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"867521"	306.243871	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"38703"	601.423866	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"478264"	891.648466	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"856066"	311.199266	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1631068"	311.199266	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"109059"	307.205663	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"546065"	452.317963	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"931927"	162.093363	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"282479"	615.418602	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"674091"	905.643202	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1287099"	325.194002	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"31124"	617.397806	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"467279"	907.622406	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"837429"	327.173206	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1558729"	327.173206	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"943452"	335.222794	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"362273"	625.447401	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"345816"	639.463051	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1503013"	349.238451	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"963993"	357.204751	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"118368"	325.194002	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"563763"	470.306302	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1031104"	180.081702	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1247399"	369.143485	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1313130"	371.199472	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1329533"	393.181429	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"916578"	403.210186	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1302406"	439.186864	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1379836"	255.211924	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1394053"	273.2219	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"298118"	581.456476	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"691366"	871.681076	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1366905"	291.231876	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"140380"	291.231876	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"572771"	436.344176	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1052553"	146.119576	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"217858"	194.490342666667	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"659648"	291.231876	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1170438"	97.7488093333333	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"431521"	598.483023	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"793611"	888.707623	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1693588"	308.258423	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"340407"	299.7451495	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"732828"	444.8574495	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1490659"	154.6328495	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"405325"	603.438418	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"765962"	893.663018	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1611144"	313.213818	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"329449"	302.222847	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"715797"	447.335147	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1469614"	157.110547	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1066140"	105.076123333333	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1268911"	323.258086	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"390767"	619.412358	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"749577"	909.636958	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1542878"	329.187758	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"301148"	310.209817	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"693571"	455.322117	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1451771"	165.097517	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"243654"	622.483026	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1215267"	332.258426	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1200246"	166.632851	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"196765"	625.42036	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"635961"	915.64496	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1138739"	335.19576	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"181666"	313.213818	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"620859"	458.326118	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1124003"	168.101518	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1404980"	112.403437333333	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1434908"	337.237346	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"230073"	318.24684	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1518135"	351.28939	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"421102"	321.200788	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"784284"	466.313088	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1676244"	176.088488	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"261670"	644.464968	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1233284"	354.240368	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1720349"	354.263893	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1183516"	119.730751333333	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1660698"	359.219288	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"166465"	657.36824	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"601651"	947.59284	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1091632"	367.14364	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"142738"	329.187758	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"583267"	474.300058	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1073615"	184.075458	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1102083"	369.158192	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1337373"	369.245807	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1007364"	373.284976	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1526581"	374.278608	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"991938"	187.146126	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1594097"	375.193228	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1419756"	405.224738	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1148955"	207.659401	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1698504"	422.251285	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1634641"	427.20668	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1571997"	443.18062	"C15326"	"17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"808924"	346.1944	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M"	0
"979178"	327.17601	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-H2O-H"	-19.01839
"68513"	229.788990666667	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M-3H"	-3.021828
"503700"	345.187124	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M-3H"	-3.021828
"883688"	114.390857333333	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-3H"	-3.021828
"2261"	345.187124	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M-2H"	-2.014552
"440853"	518.284324	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M-2H"	-2.014552
"817556"	172.089924	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-2H"	-2.014552
"78637"	691.381524	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M-H"	-1.007276
"521367"	1037.575924	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M-H"	-1.007276
"896980"	345.187124	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-H"	-1.007276
"47256"	708.408071	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M-2H+NH4"	16.019271
"487166"	1054.602471	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M-2H+NH4"	16.019271
"866532"	362.213671	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-2H+NH4"	16.019271
"32489"	713.363466	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M-2H+Na"	20.974666
"471546"	1059.557866	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M-2H+Na"	20.974666
"849612"	367.169066	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-2H+Na"	20.974666
"1624615"	367.169066	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Na-2H"	20.974666
"105521"	363.175463	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M-H+Cl"	33.962126
"542894"	536.272663	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M-H+Cl"	33.962126
"932036"	190.078263	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-H+Cl"	33.962126
"277157"	727.358202	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+Cl"	34.969402
"673955"	1073.552602	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+Cl"	34.969402
"1287086"	381.163802	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Cl"	34.969402
"30913"	729.337406	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M-2H+K"	36.948606
"467389"	1075.531806	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M-2H+K"	36.948606
"848073"	383.143006	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-2H+K"	36.948606
"1564306"	383.143006	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+K-2H"	36.948606
"950002"	391.192594	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-H+HCOOH"	44.998194
"362750"	737.387001	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+HCOOH-H"	44.998201
"347723"	751.402651	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+Hac-H"	59.013851
"1503123"	405.208251	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Hac-H"	59.013851
"964103"	413.174551	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-H+NaCOOH"	66.980151
"115196"	381.163802	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+2Cl"	69.938804
"561319"	554.261002	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+2Cl"	69.938804
"1035465"	208.066602	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2Cl"	69.938804
"1247509"	425.113285	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Br"	78.918885
"1315427"	427.169272	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Cl+HCOOH"	80.974872
"1330736"	449.151229	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Cl+NaCOOH"	102.956829
"916324"	459.179986	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M-H+CF3COOH"	112.985586
"1303610"	495.156664	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Cl+CF3COOH"	148.962264
"1379947"	311.181724	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H-2H2O"	-35.012676
"1389787"	329.1917	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H-H2O"	-17.0027
"290567"	693.396076	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+H"	1.007276
"686268"	1039.590476	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+H"	1.007276
"1366387"	347.201676	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H"	1.007276
"137695"	347.201676	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+2H"	2.014552
"575068"	520.298876	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+2H"	2.014552
"1052379"	174.104476	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2H"	2.014552
"219591"	231.803542666667	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+3H"	3.021828
"659232"	347.201676	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+3H"	3.021828
"1176016"	116.405409333333	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+3H"	3.021828
"433820"	710.422623	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+NH4"	18.033823
"795907"	1056.617023	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+NH4"	18.033823
"1694064"	364.228223	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+NH4"	18.033823
"343803"	355.7149495	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+H+NH4"	19.041099
"736220"	528.8121495	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+H+NH4"	19.041099
"1490404"	182.6177495	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H+NH4"	19.041099
"406410"	715.378018	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+Na"	22.989218
"766801"	1061.572418	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+Na"	22.989218
"1611255"	369.183618	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Na"	22.989218
"327859"	358.192647	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+H+Na"	23.996494
"713720"	531.289847	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+H+Na"	23.996494
"1466080"	185.095447	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H+Na"	23.996494
"1060784"	123.732723333333	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2H+Na"	25.00377
"1264650"	379.227886	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+CH3OH+H"	33.033486
"383225"	731.351958	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+K"	38.963158
"746401"	1077.546358	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+K"	38.963158
"1545175"	385.157558	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+K"	38.963158
"302352"	366.179617	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+H+K"	39.970434
"694776"	539.276817	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+H+K"	39.970434
"1449694"	193.082417	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H+K"	39.970434
"242671"	734.422626	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+ACN+H"	42.033826
"1213192"	388.228226	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+ACN+H"	42.033826
"1200356"	194.617751	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+ACN+2H"	43.041102
"196875"	737.35996	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+2Na-H"	44.97116
"637529"	1083.55436	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+2Na-H"	44.97116
"1139578"	391.16556	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2Na-H"	44.97116
"182869"	369.183618	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+2Na"	45.978436
"618782"	542.280818	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+2Na"	45.978436
"1125937"	196.086418	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2Na"	45.978436
"1405089"	131.060037333333	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H+2Na"	46.985712
"1438298"	393.207146	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H+HCOOH"	47.012746
"231276"	374.21664	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+3H2O+2H"	56.04448
"1518246"	407.25919	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+IsoProp+H"	61.06479
"422305"	377.170588	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+Na+K"	61.952376
"781113"	550.267788	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+Na+K"	61.952376
"1675261"	204.073388	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Na+K"	61.952376
"261781"	756.404568	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+ACN+Na"	64.015768
"1233394"	410.210168	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+ACN+Na"	64.015768
"1720095"	410.233693	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+NH4+HCOOH"	64.039293
"1183626"	138.387351333333	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+3Na"	68.967654
"1660808"	415.189088	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Na+HCOOH"	68.994688
"166575"	769.30784	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+2K-H"	76.91904
"603948"	1115.50224	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+2K-H"	76.91904
"1091742"	423.11344	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2K-H"	76.91904
"143456"	385.157558	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"2M+2K"	77.926316
"582286"	558.254758	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"3M+2K"	77.926316
"1079192"	212.060358	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2K"	77.926316
"1106933"	425.127992	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2K+H"	78.933592
"1338943"	425.215607	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+DMSO+H"	79.021207
"1008567"	429.254776	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2ACN+H"	83.060376
"1524870"	430.248408	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+IsoProp+Na+H"	84.054008
"993140"	215.131026	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+2ACN+2H"	84.067652
"1588739"	431.163028	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+K+HCOOH"	84.968628
"1416586"	461.194538	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+H+CF3COOH"	115.000138
"1150158"	235.644301	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+3ACN+2H"	125.094202
"1698614"	478.221085	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+NH4+CF3COOH"	132.026685
"1635358"	483.17648	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+Na+CF3COOH"	136.98208
"1573200"	499.15042	"C15327"	"6alpha-Fluoropregn-4-ene-31120-trione;6alpha-Fluoro-11-oxoprogesterone"	"C21H27FO3"	"346.1944"	"M+K+CF3COOH"	152.95602
"809034"	479.2227	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M"	0
"985849"	460.20431	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-H2O-H"	-19.01839
"71904"	318.474524	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M-3H"	-3.021828
"507091"	478.215424	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M-3H"	-3.021828
"887079"	158.733624	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-3H"	-3.021828
"2372"	478.215424	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M-2H"	-2.014552
"444122"	717.826774	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M-2H"	-2.014552
"817664"	238.604074	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-2H"	-2.014552
"79970"	957.438124	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M-H"	-1.007276
"519653"	1436.660824	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M-H"	-1.007276
"896034"	478.215424	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-H"	-1.007276
"47375"	974.464671	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M-2H+NH4"	16.019271
"489931"	1453.687371	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M-2H+NH4"	16.019271
"867733"	495.241971	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-2H+NH4"	16.019271
"33083"	979.420066	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M-2H+Na"	20.974666
"473738"	1458.642766	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M-2H+Na"	20.974666
"850446"	500.197366	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-2H+Na"	20.974666
"1625818"	500.197366	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Na-2H"	20.974666
"94935"	496.203763	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M-H+Cl"	33.962126
"543004"	735.815113	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M-H+Cl"	33.962126
"927890"	256.592413	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-H+Cl"	33.962126
"272892"	993.414802	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+Cl"	34.969402
"662396"	1472.637502	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+Cl"	34.969402
"1279904"	514.192102	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Cl"	34.969402
"17730"	995.394006	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M-2H+K"	36.948606
"460935"	1474.616706	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M-2H+K"	36.948606
"845668"	516.171306	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-2H+K"	36.948606
"1565509"	516.171306	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+K-2H"	36.948606
"950111"	524.220894	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-H+HCOOH"	44.998194
"369416"	1003.443601	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+HCOOH-H"	44.998201
"345852"	1017.459251	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+Hac-H"	59.013851
"1494604"	538.236551	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Hac-H"	59.013851
"959025"	546.202851	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-H+NaCOOH"	66.980151
"111173"	514.192102	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+2Cl"	69.938804
"553772"	753.803452	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+2Cl"	69.938804
"1022935"	274.580752	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2Cl"	69.938804
"1244703"	558.141585	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Br"	78.918885
"1307879"	560.197572	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Cl+HCOOH"	80.974872
"1320271"	582.179529	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Cl+NaCOOH"	102.956829
"912058"	592.208286	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M-H+CF3COOH"	112.985586
"1300801"	628.184964	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Cl+CF3COOH"	148.962264
"1380055"	444.210024	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H-2H2O"	-35.012676
"1393177"	462.22	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H-H2O"	-17.0027
"293957"	959.452676	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+H"	1.007276
"685284"	1438.675376	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+H"	1.007276
"1358353"	480.229976	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H"	1.007276
"137804"	480.229976	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+2H"	2.014552
"575178"	719.841326	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+2H"	2.014552
"1049444"	240.618626	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2H"	2.014552
"218929"	320.489076	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+3H"	3.021828
"659627"	480.229976	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+3H"	3.021828
"1172845"	160.748176	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+3H"	3.021828
"430650"	976.479223	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+NH4"	18.033823
"792738"	1455.701923	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+NH4"	18.033823
"1691254"	497.256523	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+NH4"	18.033823
"342452"	488.7432495	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+H+NH4"	19.041099
"736697"	728.3545995	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+H+NH4"	19.041099
"1491244"	249.1318995	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H+NH4"	19.041099
"408186"	981.434618	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+Na"	22.989218
"768004"	1460.657318	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+Na"	22.989218
"1614645"	502.211918	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Na"	22.989218
"322501"	491.220947	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+H+Na"	23.996494
"710550"	730.832297	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+H+Na"	23.996494
"1466917"	251.609597	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H+Na"	23.996494
"1059802"	168.07549	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2H+Na"	25.00377
"1263667"	512.256186	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+CH3OH+H"	33.033486
"382241"	997.408558	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+K"	38.963158
"747607"	1476.631258	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+K"	38.963158
"1547472"	518.185858	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+K"	38.963158
"307927"	499.207917	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+H+K"	39.970434
"693791"	738.819267	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+H+K"	39.970434
"1447618"	259.596567	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H+K"	39.970434
"242781"	1000.479226	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+ACN+H"	42.033826
"1213302"	521.256526	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+ACN+H"	42.033826
"1199373"	261.131901	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+ACN+2H"	43.041102
"196621"	1003.41656	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+2Na-H"	44.97116
"637275"	1482.63926	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+2Na-H"	44.97116
"1142606"	524.19386	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2Na-H"	44.97116
"181885"	502.211918	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+2Na"	45.978436
"623631"	741.823268	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+2Na"	45.978436
"1126045"	262.600568	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2Na"	45.978436
"1408479"	175.402804	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H+2Na"	46.985712
"1438409"	526.235446	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H+HCOOH"	47.012746
"230293"	507.24494	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+3H2O+2H"	56.04448
"1518356"	540.28749	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+IsoProp+H"	61.06479
"422295"	510.198888	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+Na+K"	61.952376
"781224"	749.810238	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+Na+K"	61.952376
"1674278"	270.587538	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Na+K"	61.952376
"260799"	1022.461168	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+ACN+Na"	64.015768
"1232776"	543.238468	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+ACN+Na"	64.015768
"1720569"	543.261993	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+NH4+HCOOH"	64.039293
"1183737"	182.730118	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+3Na"	68.967654
"1652536"	548.217388	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Na+HCOOH"	68.994688
"168872"	1035.36444	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+2K-H"	76.91904
"604058"	1514.58714	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+2K-H"	76.91904
"1095132"	556.14174	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2K-H"	76.91904
"141699"	518.185858	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"2M+2K"	77.926316
"581911"	757.797208	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"3M+2K"	77.926316
"1078209"	278.574508	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2K"	77.926316
"1108137"	558.156292	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2K+H"	78.933592
"1340147"	558.243907	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+DMSO+H"	79.021207
"1008677"	562.283076	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2ACN+H"	83.060376
"1525100"	563.276708	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+IsoProp+Na+H"	84.054008
"991064"	281.645176	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+2ACN+2H"	84.067652
"1587509"	564.191328	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+K+HCOOH"	84.968628
"1417789"	594.222838	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+H+CF3COOH"	115.000138
"1149539"	302.158451	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+3ACN+2H"	125.094202
"1698724"	611.249385	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+NH4+CF3COOH"	132.026685
"1634739"	616.20478	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+Na+CF3COOH"	136.98208
"1572217"	632.17872	"C15328"	"NN-Diethyl-2-4-6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-ylphenoxyethanamine hydrochloride"	"C29H33NO3HCl"	"479.2227"	"M+K+CF3COOH"	152.95602
"812424"	376.205	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M"	0
"982679"	357.18661	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-H2O-H"	-19.01839
"68734"	249.796057333333	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M-3H"	-3.021828
"502988"	375.197724	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M-3H"	-3.021828
"887189"	124.394390666667	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-3H"	-3.021828
"1387"	375.197724	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M-2H"	-2.014552
"440947"	563.300224	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M-2H"	-2.014552
"818019"	187.095224	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-2H"	-2.014552
"80080"	751.402724	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M-H"	-1.007276
"521588"	1127.607724	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M-H"	-1.007276
"897325"	375.197724	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-H"	-1.007276
"47563"	768.429271	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M-2H+NH4"	16.019271
"492227"	1144.634271	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M-2H+NH4"	16.019271
"866749"	392.224271	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-2H+NH4"	16.019271
"35743"	773.384666	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M-2H+Na"	20.974666
"472633"	1149.589666	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M-2H+Na"	20.974666
"849948"	397.179666	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-2H+Na"	20.974666
"1624832"	397.179666	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Na-2H"	20.974666
"95165"	393.186063	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M-H+Cl"	33.962126
"536188"	581.288563	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M-H+Cl"	33.962126
"927993"	205.083563	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-H+Cl"	33.962126
"267895"	787.379402	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+Cl"	34.969402
"660912"	1163.584402	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+Cl"	34.969402
"1278920"	411.174402	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Cl"	34.969402
"25859"	789.358606	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M-2H+K"	36.948606
"464325"	1165.563606	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M-2H+K"	36.948606
"844319"	413.153606	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-2H+K"	36.948606
"1564524"	413.153606	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+K-2H"	36.948606
"951314"	421.203194	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-H+HCOOH"	44.998194
"369529"	797.408201	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+HCOOH-H"	44.998201
"346849"	811.423851	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+Hac-H"	59.013851
"1495686"	435.218851	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Hac-H"	59.013851
"958974"	443.185151	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-H+NaCOOH"	66.980151
"110388"	411.174402	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+2Cl"	69.938804
"550600"	599.276902	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+2Cl"	69.938804
"1022430"	223.071902	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2Cl"	69.938804
"1246634"	455.123885	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Br"	78.918885
"1306895"	457.179872	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Cl+HCOOH"	80.974872
"1320864"	479.161829	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Cl+NaCOOH"	102.956829
"913261"	489.190586	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M-H+CF3COOH"	112.985586
"1299818"	525.167264	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Cl+CF3COOH"	148.962264
"1382598"	341.192324	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H-2H2O"	-35.012676
"1397987"	359.2023	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H-H2O"	-17.0027
"294067"	753.417276	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+H"	1.007276
"686488"	1129.622276	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+H"	1.007276
"1358463"	377.212276	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H"	1.007276
"135726"	377.212276	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+2H"	2.014552
"575288"	565.314776	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+2H"	2.014552
"1052107"	189.109776	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2H"	2.014552
"218549"	251.810609333333	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+3H"	3.021828
"659451"	377.212276	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+3H"	3.021828
"1172955"	126.408942666667	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+3H"	3.021828
"430760"	770.443823	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+NH4"	18.033823
"796128"	1146.648823	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+NH4"	18.033823
"1694282"	394.238823	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+NH4"	18.033823
"342561"	385.7255495	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+H+NH4"	19.041099
"736075"	573.8280495	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+H+NH4"	19.041099
"1491351"	197.6230495	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H+NH4"	19.041099
"407844"	775.399218	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+Na"	22.989218
"767747"	1151.604218	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+Na"	22.989218
"1616578"	399.194218	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Na"	22.989218
"321516"	388.203247	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+H+Na"	23.996494
"712844"	576.305747	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+H+Na"	23.996494
"1462652"	200.100747	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H+Na"	23.996494
"1056627"	133.736256666667	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2H+Na"	25.00377
"1259399"	409.238486	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+CH3OH+H"	33.033486
"381255"	791.373158	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+K"	38.963158
"740062"	1167.578158	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+K"	38.963158
"1542114"	415.168158	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+K"	38.963158
"299653"	396.190217	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+H+K"	39.970434
"697181"	584.292717	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+H+K"	39.970434
"1451008"	208.087717	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H+K"	39.970434
"243984"	794.443826	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+ACN+H"	42.033826
"1212318"	418.238826	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+ACN+H"	42.033826
"1197296"	209.623051	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+ACN+2H"	43.041102
"198918"	797.38116	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+2Na-H"	44.97116
"637385"	1173.58616	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+2Na-H"	44.97116
"1141987"	421.17616	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2Na-H"	44.97116
"180537"	399.194218	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+2Na"	45.978436
"621189"	587.296718	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+2Na"	45.978436
"1125061"	211.091718	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2Na"	45.978436
"1404215"	141.063570666667	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H+2Na"	46.985712
"1440706"	423.217746	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H+HCOOH"	47.012746
"227123"	404.22724	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+3H2O+2H"	56.04448
"1511176"	437.26979	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+IsoProp+H"	61.06479
"417058"	407.181188	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+Na+K"	61.952376
"781334"	595.283688	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+Na+K"	61.952376
"1674387"	219.078688	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Na+K"	61.952376
"259084"	816.425768	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+ACN+Na"	64.015768
"1232886"	440.220768	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+ACN+Na"	64.015768
"1720679"	440.244293	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+NH4+HCOOH"	64.039293
"1180931"	148.390884666667	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+3Na"	68.967654
"1650335"	445.199688	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Na+HCOOH"	68.994688
"165701"	829.32904	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+2K-H"	76.91904
"603074"	1205.53404	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+2K-H"	76.91904
"1088681"	453.12404	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2K-H"	76.91904
"149871"	415.168158	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"2M+2K"	77.926316
"581900"	603.270658	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"3M+2K"	77.926316
"1073944"	227.065658	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2K"	77.926316
"1106059"	455.138592	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2K+H"	78.933592
"1339164"	455.226207	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+DMSO+H"	79.021207
"1006232"	459.265376	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2ACN+H"	83.060376
"1531287"	460.259008	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+IsoProp+Na+H"	84.054008
"990563"	230.136326	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+2ACN+2H"	84.067652
"1587860"	461.173628	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+K+HCOOH"	84.968628
"1417900"	491.205138	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+H+CF3COOH"	115.000138
"1149282"	250.649601	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+3ACN+2H"	125.094202
"1697740"	508.231685	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+NH4+CF3COOH"	132.026685
"1634250"	513.18708	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+Na+CF3COOH"	136.98208
"1572691"	529.16102	"C15329"	"21-Fluoro-11beta17-dihydroxy-6alpha-methylpregna-14-diene-320-dione"	"C22H29FO4"	"376.205"	"M+K+CF3COOH"	152.95602
"812534"	294.2359	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M"	0
"984976"	275.21751	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-H2O-H"	-19.01839
"65564"	195.149990666667	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M-3H"	-3.021828
"509498"	293.228624	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M-3H"	-3.021828
"887299"	97.0713573333333	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-3H"	-3.021828
"1497"	293.228624	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M-2H"	-2.014552
"441788"	440.346574	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M-2H"	-2.014552
"818861"	146.110674	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-2H"	-2.014552
"81404"	587.464524	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M-H"	-1.007276
"520605"	881.700424	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M-H"	-1.007276
"897435"	293.228624	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-H"	-1.007276
"48158"	604.491071	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M-2H+NH4"	16.019271
"488326"	898.726971	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M-2H+NH4"	16.019271
"867218"	310.255171	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-2H+NH4"	16.019271
"33784"	609.446466	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M-2H+Na"	20.974666
"472379"	903.682366	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M-2H+Na"	20.974666
"849695"	315.210566	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-2H+Na"	20.974666
"1619838"	315.210566	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Na-2H"	20.974666
"95271"	311.216963	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M-H+Cl"	33.962126
"538852"	458.334913	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M-H+Cl"	33.962126
"929450"	164.099013	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-H+Cl"	33.962126
"269831"	623.441202	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+Cl"	34.969402
"663344"	917.677102	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+Cl"	34.969402
"1273431"	329.205302	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Cl"	34.969402
"25969"	625.420406	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M-2H+K"	36.948606
"464435"	919.656306	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M-2H+K"	36.948606
"844429"	331.184506	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-2H+K"	36.948606
"1563542"	331.184506	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+K-2H"	36.948606
"951424"	339.234094	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-H+HCOOH"	44.998194
"372918"	633.470001	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+HCOOH-H"	44.998201
"346959"	647.485651	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+Hac-H"	59.013851
"1494094"	353.249751	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Hac-H"	59.013851
"958609"	361.216051	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-H+NaCOOH"	66.980151
"111393"	329.205302	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+2Cl"	69.938804
"550345"	476.323252	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+2Cl"	69.938804
"1022295"	182.087352	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2Cl"	69.938804
"1246744"	373.154785	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Br"	78.918885
"1307005"	375.210772	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Cl+HCOOH"	80.974872
"1320609"	397.192729	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Cl+NaCOOH"	102.956829
"912276"	407.221486	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M-H+CF3COOH"	112.985586
"1301021"	443.198164	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Cl+CF3COOH"	148.962264
"1379181"	259.223224	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H-2H2O"	-35.012676
"1397042"	277.2332	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H-H2O"	-17.0027
"290897"	589.479076	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+H"	1.007276
"686598"	883.714976	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+H"	1.007276
"1355293"	295.243176	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H"	1.007276
"133649"	295.243176	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+2H"	2.014552
"574303"	442.361126	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+2H"	2.014552
"1048569"	148.125226	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2H"	2.014552
"219268"	197.164542666667	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+3H"	3.021828
"656035"	295.243176	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+3H"	3.021828
"1173064"	99.0859093333333	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+3H"	3.021828
"431963"	606.505623	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+NH4"	18.033823
"796238"	900.741523	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+NH4"	18.033823
"1692569"	312.269723	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+NH4"	18.033823
"343034"	303.7564495	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+H+NH4"	19.041099
"737278"	450.8743995	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+H+NH4"	19.041099
"1492194"	156.6384995	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H+NH4"	19.041099
"408436"	611.461018	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+Na"	22.989218
"762389"	905.696918	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+Na"	22.989218
"1613772"	317.225118	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Na"	22.989218
"319441"	306.234147	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+H+Na"	23.996494
"712224"	453.352097	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+H+Na"	23.996494
"1466044"	159.116197	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H+Na"	23.996494
"1056738"	106.413223333333	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2H+Na"	25.00377
"1258538"	327.269386	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+CH3OH+H"	33.033486
"380272"	627.434958	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+K"	38.963158
"739443"	921.670858	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+K"	38.963158
"1541007"	333.199058	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+K"	38.963158
"300857"	314.221117	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+H+K"	39.970434
"695105"	461.339067	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+H+K"	39.970434
"1450025"	167.103167	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H+K"	39.970434
"244093"	630.505626	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+ACN+H"	42.033826
"1214614"	336.269726	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+ACN+H"	42.033826
"1196312"	168.638501	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+ACN+2H"	43.041102
"197934"	633.44296	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+2Na-H"	44.97116
"638589"	927.67886	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+2Na-H"	44.97116
"1142096"	339.20706	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2Na-H"	44.97116
"182108"	317.225118	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+2Na"	45.978436
"618749"	464.343068	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+2Na"	45.978436
"1125174"	170.107168	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2Na"	45.978436
"1409793"	113.740537333333	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H+2Na"	46.985712
"1437536"	341.248646	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H+HCOOH"	47.012746
"227233"	322.25814	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+3H2O+2H"	56.04448
"1516389"	355.30069	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+IsoProp+H"	61.06479
"416076"	325.212088	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+Na+K"	61.952376
"784361"	472.330038	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+Na+K"	61.952376
"1675591"	178.094138	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Na+K"	61.952376
"261019"	652.487568	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+ACN+Na"	64.015768
"1230809"	358.251668	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+ACN+Na"	64.015768
"1720790"	358.275193	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+NH4+HCOOH"	64.039293
"1184321"	121.067851333333	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+3Na"	68.967654
"1655307"	363.230588	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Na+HCOOH"	68.994688
"166905"	665.39084	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+2K-H"	76.91904
"607558"	959.62674	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+2K-H"	76.91904
"1088791"	371.15494	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2K-H"	76.91904
"146702"	333.199058	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"2M+2K"	77.926316
"584077"	480.317008	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"3M+2K"	77.926316
"1074055"	186.081108	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2K"	77.926316
"1105076"	373.169492	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2K+H"	78.933592
"1342555"	373.257107	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+DMSO+H"	79.021207
"1008898"	377.296276	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2ACN+H"	83.060376
"1529213"	378.289908	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+IsoProp+Na+H"	84.054008
"992375"	189.151776	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+2ACN+2H"	84.067652
"1589068"	379.204528	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+K+HCOOH"	84.968628
"1414724"	409.236038	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+H+CF3COOH"	115.000138
"1149391"	209.665051	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+3ACN+2H"	125.094202
"1697364"	426.262585	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+NH4+CF3COOH"	132.026685
"1634715"	431.21798	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+Na+CF3COOH"	136.98208
"1572071"	447.19192	"C15330"	"3beta-Fluoro-5alpha-androstan-17beta-ol"	"C19H31FO"	"294.2359"	"M+K+CF3COOH"	152.95602
"812644"	360.2664	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M"	0
"987273"	341.24801	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-H2O-H"	-19.01839
"70047"	239.170324	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M-3H"	-3.021828
"509608"	359.259124	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M-3H"	-3.021828
"889596"	119.081524	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-3H"	-3.021828
"3429"	359.259124	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M-2H"	-2.014552
"443719"	539.392324	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M-2H"	-2.014552
"820429"	179.125924	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-2H"	-2.014552
"82243"	719.525524	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M-H"	-1.007276
"522902"	1079.791924	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M-H"	-1.007276
"900704"	359.259124	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-H"	-1.007276
"48878"	736.552071	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M-2H+NH4"	16.019271
"489534"	1096.818471	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M-2H+NH4"	16.019271
"865877"	376.285671	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-2H+NH4"	16.019271
"33775"	741.507466	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M-2H+Na"	20.974666
"472975"	1101.773866	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M-2H+Na"	20.974666
"850534"	381.241066	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-2H+Na"	20.974666
"1619462"	381.241066	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Na-2H"	20.974666
"95259"	377.247463	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M-H+Cl"	33.962126
"534822"	557.380663	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M-H+Cl"	33.962126
"927856"	197.114263	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-H+Cl"	33.962126
"267994"	755.502202	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+Cl"	34.969402
"663454"	1115.768602	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+Cl"	34.969402
"1276950"	395.235802	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Cl"	34.969402
"26080"	757.481406	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M-2H+K"	36.948606
"465639"	1117.747806	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M-2H+K"	36.948606
"844539"	397.215006	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-2H+K"	36.948606
"1565839"	397.215006	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+K-2H"	36.948606
"953721"	405.264594	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-H+HCOOH"	44.998194
"373029"	765.531001	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+HCOOH-H"	44.998201
"350352"	779.546651	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+Hac-H"	59.013851
"1493595"	419.280251	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Hac-H"	59.013851
"959066"	427.246551	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-H+NaCOOH"	66.980151
"111503"	395.235802	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+2Cl"	69.938804
"550252"	575.369002	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+2Cl"	69.938804
"1022284"	215.102602	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2Cl"	69.938804
"1243574"	439.185285	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Br"	78.918885
"1307115"	441.241272	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Cl+HCOOH"	80.974872
"1320961"	463.223229	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Cl+NaCOOH"	102.956829
"913481"	473.251986	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M-H+CF3COOH"	112.985586
"1302953"	509.228664	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Cl+CF3COOH"	148.962264
"1380750"	325.253724	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H-2H2O"	-35.012676
"1395692"	343.2637	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H-H2O"	-17.0027
"295381"	721.540076	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+H"	1.007276
"686708"	1081.806476	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+H"	1.007276
"1358683"	361.273676	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H"	1.007276
"139226"	361.273676	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+2H"	2.014552
"577693"	541.406876	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+2H"	2.014552
"1049772"	181.140476	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2H"	2.014552
"218773"	241.184876	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+3H"	3.021828
"657237"	361.273676	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+3H"	3.021828
"1174269"	121.096076	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+3H"	3.021828
"434259"	738.566623	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+NH4"	18.033823
"796349"	1098.833023	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+NH4"	18.033823
"1692679"	378.300223	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+NH4"	18.033823
"343145"	369.7869495	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+H+NH4"	19.041099
"736660"	549.9201495	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+H+NH4"	19.041099
"1492644"	189.6537495	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H+NH4"	19.041099
"408441"	743.522018	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+Na"	22.989218
"766873"	1103.788418	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+Na"	22.989218
"1617978"	383.255618	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Na"	22.989218
"321738"	372.264647	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+H+Na"	23.996494
"709784"	552.397847	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+H+Na"	23.996494
"1465061"	192.131447	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H+Na"	23.996494
"1056848"	128.42339	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2H+Na"	25.00377
"1260715"	393.299886	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+CH3OH+H"	33.033486
"383666"	759.495958	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+K"	38.963158
"741376"	1119.762358	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+K"	38.963158
"1541243"	399.229558	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+K"	38.963158
"301699"	380.251617	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+H+K"	39.970434
"692539"	560.384817	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+H+K"	39.970434
"1453415"	200.118417	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H+K"	39.970434
"244204"	762.566626	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+ACN+H"	42.033826
"1214724"	402.300226	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+ACN+H"	42.033826
"1197513"	201.653751	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+ACN+2H"	43.041102
"191483"	765.50396	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+2Na-H"	44.97116
"632137"	1125.77036	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+2Na-H"	44.97116
"1135643"	405.23756	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2Na-H"	44.97116
"177840"	383.255618	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+2Na"	45.978436
"622868"	563.388818	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+2Na"	45.978436
"1124192"	203.122418	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2Na"	45.978436
"1408809"	135.750704	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H+2Na"	46.985712
"1436551"	407.279146	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H+HCOOH"	47.012746
"227341"	388.28864	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+3H2O+2H"	56.04448
"1517592"	421.33119	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+IsoProp+H"	61.06479
"416184"	391.242588	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+Na+K"	61.952376
"777180"	571.375788	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+Na+K"	61.952376
"1676795"	211.109388	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Na+K"	61.952376
"262222"	784.548568	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+ACN+Na"	64.015768
"1236024"	424.282168	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+ACN+Na"	64.015768
"1721631"	424.305693	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+NH4+HCOOH"	64.039293
"1182973"	143.078018	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+3Na"	68.967654
"1655781"	429.261088	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Na+HCOOH"	68.994688
"167014"	797.45184	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+2K-H"	76.91904
"606574"	1157.71824	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+2K-H"	76.91904
"1088901"	437.18544	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2K-H"	76.91904
"143532"	399.229558	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"2M+2K"	77.926316
"581997"	579.362758	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"3M+2K"	77.926316
"1075259"	219.096358	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2K"	77.926316
"1106280"	439.199992	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2K+H"	78.933592
"1344852"	439.287607	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+DMSO+H"	79.021207
"1009008"	443.326776	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2ACN+H"	83.060376
"1530416"	444.320408	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+IsoProp+Na+H"	84.054008
"992849"	222.167026	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+2ACN+2H"	84.067652
"1588449"	445.235028	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+K+HCOOH"	84.968628
"1415565"	475.266538	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+H+CF3COOH"	115.000138
"1150596"	242.680301	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+3ACN+2H"	125.094202
"1698204"	492.293085	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+NH4+CF3COOH"	132.026685
"1634218"	497.24848	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+Na+CF3COOH"	136.98208
"1576920"	513.22242	"C15331"	"17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate;45alpha-Dihydro-6beta-methyltestosterone propionate"	"C23H36O3"	"360.2664"	"M+K+CF3COOH"	152.95602
"816527"	304.2038	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M"	0
"986291"	285.18541	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"69066"	201.795257333333	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"509719"	303.196524	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"889707"	100.393990666667	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"3913"	303.196524	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"440598"	455.298424	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"817260"	151.094624	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"79194"	607.400324	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"518627"	911.604124	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"896068"	303.196524	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"47403"	624.426871	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"487463"	928.630671	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"864688"	320.223071	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"31779"	629.382266	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"472363"	933.586066	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"848783"	325.178466	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1618569"	325.178466	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"94523"	321.184863	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"539073"	473.286763	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"934775"	169.082963	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"279895"	643.377002	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"674991"	947.580802	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1282532"	339.173202	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"31098"	645.356206	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"470126"	949.560006	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"847929"	341.152406	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1568138"	341.152406	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"955655"	349.201994	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"373143"	653.405801	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"351558"	667.421451	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1504403"	363.217651	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"963558"	371.183951	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"123401"	339.173202	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"559680"	491.275102	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1033947"	187.071302	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1253526"	383.122685	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1312695"	385.178672	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1331284"	407.160629	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"916876"	417.189386	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1300147"	453.166064	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
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"1395807"	287.2011	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"296586"	609.414876	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"686821"	913.618676	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1360982"	305.211076	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"137151"	305.211076	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
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"799377"	930.645223	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1694614"	322.237623	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"344715"	313.7243495	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
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"322938"	316.202047	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"713174"	468.303947	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1465900"	164.100147	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
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"379398"	647.370758	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"741488"	951.574558	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1542448"	343.166958	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"302906"	324.189017	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"693140"	476.290917	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
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"621885"	479.294918	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
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"780571"	487.281888	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1675812"	183.078088	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"261238"	672.423368	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1235040"	368.219568	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1718461"	368.243093	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1187094"	124.390484666667	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
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"163848"	685.32664	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"598786"	989.53044	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1089012"	381.12284	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"146922"	343.166958	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
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"1102018"	383.137392	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1336579"	383.225007	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1009120"	387.264176	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1525299"	388.257808	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"991623"	194.135726	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
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"1417138"	419.203938	"C15332"	"3beta-Hydroxy-5alpha-androstane-717-dione"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
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"1030777"	221.084452	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2Cl"	69.938804
"1252545"	451.148985	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Br"	78.918885
"1314992"	453.204972	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Cl+HCOOH"	80.974872
"1328114"	475.186929	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Cl+NaCOOH"	102.956829
"916986"	485.215686	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M-H+CF3COOH"	112.985586
"1301351"	521.192364	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Cl+CF3COOH"	148.962264
"1378419"	337.217424	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H-2H2O"	-35.012676
"1391543"	355.2274	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H-H2O"	-17.0027
"289042"	745.467476	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+H"	1.007276
"682557"	1117.697576	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+H"	1.007276
"1364372"	373.237376	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H"	1.007276
"137261"	373.237376	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+2H"	2.014552
"579981"	559.352426	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+2H"	2.014552
"1049995"	187.122326	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2H"	2.014552
"215710"	249.160676	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+3H"	3.021828
"655270"	373.237376	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+3H"	3.021828
"1171209"	125.083976	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+3H"	3.021828
"432295"	762.494023	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+NH4"	18.033823
"798759"	1134.724123	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+NH4"	18.033823
"1692537"	390.263923	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+NH4"	18.033823
"342273"	381.7506495	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+H+NH4"	19.041099
"737734"	567.8656995	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+H+NH4"	19.041099
"1488516"	195.6355995	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H+NH4"	19.041099
"404642"	767.449418	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+Na"	22.989218
"764905"	1139.679518	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+Na"	22.989218
"1611919"	395.219318	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Na"	22.989218
"320863"	384.228347	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+H+Na"	23.996494
"711097"	570.343397	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+H+Na"	23.996494
"1464919"	198.113297	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H+Na"	23.996494
"1056341"	132.41129	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2H+Na"	25.00377
"1260936"	405.263586	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+CH3OH+H"	33.033486
"377399"	783.423358	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+K"	38.963158
"739123"	1155.653458	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+K"	38.963158
"1539955"	411.193258	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+K"	38.963158
"301923"	392.215317	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+H+K"	39.970434
"692157"	578.330367	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+H+K"	39.970434
"1450356"	206.100267	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H+K"	39.970434
"236522"	786.494026	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+ACN+H"	42.033826
"1210568"	414.263926	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+ACN+H"	42.033826
"1196643"	207.635601	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+ACN+2H"	43.041102
"193890"	789.43136	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+2Na-H"	44.97116
"631992"	1161.66146	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+2Na-H"	44.97116
"1140236"	417.20126	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2Na-H"	44.97116
"176236"	395.219318	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+2Na"	45.978436
"620901"	581.334368	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+2Na"	45.978436
"1127689"	209.104268	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2Na"	45.978436
"1406840"	139.738604	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H+2Na"	46.985712
"1440052"	419.242846	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H+HCOOH"	47.012746
"228655"	400.25234	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+3H2O+2H"	56.04448
"1515626"	433.29489	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+IsoProp+H"	61.06479
"417498"	403.206288	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+Na+K"	61.952376
"780681"	589.321338	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+Na+K"	61.952376
"1674828"	217.091238	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Na+K"	61.952376
"260254"	808.475968	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+ACN+Na"	64.015768
"1230046"	436.245868	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+ACN+Na"	64.015768
"1717839"	436.269393	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+NH4+HCOOH"	64.039293
"1183922"	147.065918	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+3Na"	68.967654
"1651380"	441.224788	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Na+HCOOH"	68.994688
"162860"	821.37924	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+2K-H"	76.91904
"599139"	1193.60934	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+2K-H"	76.91904
"1089122"	449.14914	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2K-H"	76.91904
"144115"	411.193258	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"2M+2K"	77.926316
"587684"	597.308308	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"3M+2K"	77.926316
"1072198"	225.078208	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2K"	77.926316
"1100178"	451.163692	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2K+H"	78.933592
"1335713"	451.251307	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+DMSO+H"	79.021207
"1005796"	455.290476	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2ACN+H"	83.060376
"1524200"	456.284108	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+IsoProp+Na+H"	84.054008
"990398"	228.148876	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+2ACN+2H"	84.067652
"1587455"	457.198728	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+K+HCOOH"	84.968628
"1417248"	487.230238	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+H+CF3COOH"	115.000138
"1148023"	248.662151	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+3ACN+2H"	125.094202
"1697452"	504.256785	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+NH4+CF3COOH"	132.026685
"1635654"	509.21218	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+Na+CF3COOH"	136.98208
"1577140"	525.18612	"C15333"	"3alpha-Hydroxy-5beta-pregn-16-ene-1120-dione 3-acetate"	"C23H32O4"	"372.2301"	"M+K+CF3COOH"	152.95602
"812974"	316.2402	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M"	0
"986510"	297.22181	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"69284"	209.819524	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"508845"	315.232924	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"885553"	104.406124	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"4130"	315.232924	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"441871"	473.353024	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"817606"	157.112824	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"79536"	631.473124	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"519826"	947.713324	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"897014"	315.232924	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"47742"	648.499671	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"487923"	964.739871	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"864752"	332.259471	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"32159"	653.455066	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"472096"	969.695266	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"849327"	337.214866	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1618985"	337.214866	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"94985"	333.221263	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"534379"	491.341363	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"928065"	175.101163	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"270632"	667.449802	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"661594"	983.690002	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1277281"	351.209602	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"30421"	669.429006	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"468158"	985.669206	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"847061"	353.188806	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1569453"	353.188806	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"954418"	361.238394	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"372270"	677.478601	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"353965"	691.494251	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1502800"	375.254051	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"961592"	383.220351	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"121434"	351.209602	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"558807"	509.329702	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1033076"	193.089502	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1253749"	395.159085	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1315102"	397.215072	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1331504"	419.197029	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"917096"	429.225786	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1299274"	465.202464	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1374154"	281.227524	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1392745"	299.2375	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"295348"	633.487676	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"683758"	949.727876	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1362295"	317.247476	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"136278"	317.247476	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"571462"	475.367576	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1049010"	159.127376	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"216912"	211.834076	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"657566"	317.247476	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1174598"	106.420676	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"433496"	650.514223	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"800695"	966.754423	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1691918"	334.274023	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"342019"	325.7607495	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"736992"	483.8808495	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1490811"	167.6406495	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"405116"	655.469618	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"769475"	971.709818	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1612028"	339.229418	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"323160"	328.238447	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"708654"	486.358547	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1463076"	170.118347	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1057179"	113.74799	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1262138"	349.273686	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"377917"	671.443558	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"739031"	987.683758	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1540480"	355.203358	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"300211"	336.225417	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"691738"	494.345517	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1447548"	178.105317	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"236266"	674.514226	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1210799"	358.274026	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1197846"	179.640651	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"191448"	677.45156	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"632102"	993.69176	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1140348"	361.21136	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"177077"	339.229418	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"616638"	497.349518	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1125612"	181.109318	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1406949"	121.075304	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1441255"	363.252946	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"228765"	344.26244	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1515736"	377.30499	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"416514"	347.216388	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"779698"	505.336488	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1673845"	189.096288	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"256355"	696.496168	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1225904"	380.255968	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1713934"	380.279493	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1184031"	128.402618	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1656110"	385.234888	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"160783"	709.39944	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"600344"	1025.63964	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1086679"	393.15924	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"143128"	355.203358	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"584514"	513.323458	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1072306"	197.083258	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1100897"	395.173792	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1337161"	395.261407	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1006667"	399.300576	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1524668"	400.294208	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"990305"	200.153926	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1587929"	401.208828	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1417358"	431.240338	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1149469"	220.667201	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1697562"	448.266885	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1634671"	453.22228	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1576157"	469.19622	"C15334"	"17beta-Hydroxy-44-dimethylandrost-5-en-3-one"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"809804"	288.2089	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M"	0
"989815"	269.19051	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"75955"	191.131990666667	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"516612"	287.201624	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"892227"	95.0623573333333	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"9709"	287.201624	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"447082"	431.306074	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"819418"	143.097174	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"81596"	575.410524	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"519938"	863.619424	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"896110"	287.201624	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"47495"	592.437071	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"489615"	880.645971	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"867417"	304.228171	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"31665"	597.392466	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"478161"	885.601366	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"857057"	309.183566	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1624769"	309.183566	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"98016"	305.189963	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"537942"	449.294413	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"928904"	161.085513	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"270377"	611.387202	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"661340"	899.596102	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1276295"	323.178302	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"29681"	613.366406	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"468268"	901.575306	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"846076"	325.157506	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1569563"	325.157506	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"954528"	333.207094	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"373110"	621.416001	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"354075"	635.431651	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1502910"	347.222751	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"968992"	355.189051	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"121180"	323.178302	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"556730"	467.282752	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1033915"	179.073852	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1254587"	367.127785	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1317036"	369.183772	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1332709"	391.165729	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"923768"	401.194486	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1299387"	437.171164	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1377546"	253.196224	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1391762"	271.2062	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"288169"	577.425076	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"688243"	865.633976	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1362406"	289.216176	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"137482"	289.216176	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"578864"	433.320626	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1049121"	145.111726	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"217022"	193.146542666667	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"659021"	289.216176	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1176534"	97.0769093333333	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"435430"	594.451623	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"800075"	882.660523	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1694579"	306.242723	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"343587"	297.7294495	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"737103"	441.8338995	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1488734"	153.6249995	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"405226"	599.407018	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"769378"	887.615918	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1615057"	311.198118	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"317803"	300.207147	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"712411"	444.311597	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1463314"	156.102697	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1059475"	104.404223333333	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1265527"	321.242386	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"378391"	615.380958	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"745099"	903.589858	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1540833"	327.172058	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"305426"	308.194117	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"697844"	452.298567	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1447414"	164.089667	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"238084"	618.451626	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1212978"	330.242726	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1199052"	165.625001	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"195205"	621.38896	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"640232"	909.59786	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1143739"	333.18006	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"179375"	311.198118	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"617476"	455.302568	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1129002"	167.093668	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1413259"	111.731537333333	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1441370"	335.221646	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"232885"	316.23114	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1518032"	349.27369	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"416623"	319.185088	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"777621"	463.289538	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1676507"	175.080638	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"258653"	640.433568	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1227715"	352.224668	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1715508"	352.248193	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1179524"	119.058851333333	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1653306"	357.203588	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"166361"	653.33684	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"604829"	941.54574	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1088249"	365.12794	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"146158"	327.172058	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"586813"	471.276508	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1075698"	183.067608	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1101374"	367.142492	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1337640"	367.230107	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1007385"	371.269276	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1529766"	372.262908	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"991838"	186.138276	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1591808"	373.177528	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1418560"	403.209038	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1154316"	206.651551	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1698038"	420.235585	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1638429"	425.19098	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1579548"	441.16492	"C15335"	"3beta-Hydroxy-5-androsten-16-one;5-Androsten-3beta-ol-16-one"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"809914"	401.4022	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M"	0
"989734"	382.38381	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-H2O-H"	-19.01839
"78365"	266.594190666667	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M-3H"	-3.021828
"515629"	400.394924	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M-3H"	-3.021828
"892337"	132.793457333333	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-3H"	-3.021828
"9819"	400.394924	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M-2H"	-2.014552
"448285"	601.096024	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M-2H"	-2.014552
"824993"	199.693824	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-2H"	-2.014552
"82799"	801.797124	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M-H"	-1.007276
"520173"	1203.199324	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M-H"	-1.007276
"895895"	400.394924	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-H"	-1.007276
"47363"	818.823671	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M-2H+NH4"	16.019271
"488632"	1220.225871	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M-2H+NH4"	16.019271
"867527"	417.421471	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-2H+NH4"	16.019271
"34335"	823.779066	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M-2H+Na"	20.974666
"479364"	1225.181266	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M-2H+Na"	20.974666
"857168"	422.376866	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-2H+Na"	20.974666
"1625609"	422.376866	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Na-2H"	20.974666
"98855"	418.383263	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M-H+Cl"	33.962126
"539510"	619.084363	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M-H+Cl"	33.962126
"929379"	217.682163	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-H+Cl"	33.962126
"271219"	837.773802	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+Cl"	34.969402
"662544"	1239.176002	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+Cl"	34.969402
"1276405"	436.371602	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Cl"	34.969402
"30278"	839.753006	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M-2H+K"	36.948606
"469471"	1241.155206	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M-2H+K"	36.948606
"847280"	438.350806	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-2H+K"	36.948606
"1569673"	438.350806	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+K-2H"	36.948606
"955002"	446.400394	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-H+HCOOH"	44.998194
"373584"	847.802601	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+HCOOH-H"	44.998201
"354185"	861.818251	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+Hac-H"	59.013851
"1503020"	460.416051	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Hac-H"	59.013851
"968373"	468.382351	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-H+NaCOOH"	66.980151
"119468"	436.371602	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+2Cl"	69.938804
"559029"	637.072702	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+2Cl"	69.938804
"1032202"	235.670502	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2Cl"	69.938804
"1253604"	480.321085	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Br"	78.918885
"1315325"	482.377072	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Cl+HCOOH"	80.974872
"1334280"	504.359029	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Cl+NaCOOH"	102.956829
"923881"	514.387786	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M-H+CF3COOH"	112.985586
"1300589"	550.364464	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Cl+CF3COOH"	148.962264
"1378749"	366.389524	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H-2H2O"	-35.012676
"1395883"	384.3995	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H-H2O"	-17.0027
"293747"	803.811676	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+H"	1.007276
"690787"	1205.213876	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+H"	1.007276
"1366164"	402.409476	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H"	1.007276
"139780"	402.409476	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+2H"	2.014552
"580070"	603.110576	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+2H"	2.014552
"1050326"	201.708376	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2H"	2.014552
"217132"	268.608742666667	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+3H"	3.021828
"659859"	402.409476	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+3H"	3.021828
"1176645"	134.808009333333	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+3H"	3.021828
"438459"	820.838223	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+NH4"	18.033823
"801039"	1222.240423	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+NH4"	18.033823
"1696959"	419.436023	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+NH4"	18.033823
"344429"	410.9227495	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+H+NH4"	19.041099
"734296"	611.6238495	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+H+NH4"	19.041099
"1488479"	210.2216495	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H+NH4"	19.041099
"406431"	825.793618	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+Na"	22.989218
"769004"	1227.195818	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+Na"	22.989218
"1616624"	424.391418	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Na"	22.989218
"317915"	413.400447	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+H+Na"	23.996494
"712522"	614.101547	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+H+Na"	23.996494
"1463182"	212.699347	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H+Na"	23.996494
"1056305"	142.135323333333	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2H+Na"	25.00377
"1266730"	434.435686	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+CH3OH+H"	33.033486
"379839"	841.767558	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+K"	38.963158
"745209"	1243.169758	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+K"	38.963158
"1540822"	440.365358	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+K"	38.963158
"303349"	421.387417	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+H+K"	39.970434
"694673"	622.088517	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+H+K"	39.970434
"1452874"	220.686317	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H+K"	39.970434
"241476"	844.838226	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+ACN+H"	42.033826
"1213092"	443.436026	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+ACN+H"	42.033826
"1198069"	222.221651	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+ACN+2H"	43.041102
"196408"	847.77556	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+2Na-H"	44.97116
"640342"	1249.17776	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+2Na-H"	44.97116
"1146159"	446.37336	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2Na-H"	44.97116
"183859"	424.391418	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+2Na"	45.978436
"627551"	625.092518	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+2Na"	45.978436
"1128019"	223.690318	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2Na"	45.978436
"1411543"	149.462637333333	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H+2Na"	46.985712
"1442208"	448.414946	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H+HCOOH"	47.012746
"232995"	429.42444	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+3H2O+2H"	56.04448
"1520328"	462.46699	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+IsoProp+H"	61.06479
"418919"	432.378388	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+Na+K"	61.952376
"778822"	633.079488	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+Na+K"	61.952376
"1678438"	231.677288	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Na+K"	61.952376
"260585"	866.820168	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+ACN+Na"	64.015768
"1228189"	465.417968	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+ACN+Na"	64.015768
"1715982"	465.441493	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+NH4+HCOOH"	64.039293
"1180605"	156.789951333333	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+3Na"	68.967654
"1652685"	470.396888	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Na+HCOOH"	68.994688
"166471"	879.72344	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+2K-H"	76.91904
"604940"	1281.12564	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+2K-H"	76.91904
"1089452"	478.32124	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2K-H"	76.91904
"148456"	440.365358	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"2M+2K"	77.926316
"585831"	641.066458	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"3M+2K"	77.926316
"1075808"	239.664258	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2K"	77.926316
"1101969"	480.335792	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2K+H"	78.933592
"1338843"	480.423407	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+DMSO+H"	79.021207
"1008834"	484.462576	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2ACN+H"	83.060376
"1530970"	485.456208	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+IsoProp+Na+H"	84.054008
"991219"	242.734926	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+2ACN+2H"	84.067652
"1589002"	486.370828	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+K+HCOOH"	84.968628
"1418670"	516.402338	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+H+CF3COOH"	115.000138
"1154426"	263.248201	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+3ACN+2H"	125.094202
"1698148"	533.428885	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+NH4+CF3COOH"	132.026685
"1638539"	538.38428	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+Na+CF3COOH"	136.98208
"1579658"	554.35822	"C15336"	"3beta4-Dimethyl-4-aza-5alpha-cholestane"	"C28H51N"	"401.4022"	"M+K+CF3COOH"	152.95602
"815983"	386.3549	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M"	0
"985750"	367.33651	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"76787"	256.562657333333	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"517806"	385.347624	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"894514"	127.777690666667	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"3369"	385.347624	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"448397"	578.525074	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"826199"	192.170174	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"78896"	771.702524	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"519309"	1158.057424	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"895672"	385.347624	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"47266"	788.729071	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"488741"	1175.083971	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"867637"	402.374171	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"31768"	793.684466	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"478381"	1180.039366	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"853996"	407.329566	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1625717"	407.329566	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"101152"	403.335963	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"543997"	596.513413	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"929489"	210.158513	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"272058"	807.679202	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"665210"	1194.034102	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1277614"	421.324302	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"30631"	809.658406	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"469948"	1196.013306	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"848376"	423.303506	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1571176"	423.303506	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"956936"	431.353094	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"373695"	817.708001	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"358306"	831.723651	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1506047"	445.368751	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"969578"	453.335051	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"114109"	421.324302	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"559139"	614.501752	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1029031"	228.146852	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1250796"	465.273785	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1312152"	467.329772	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1331834"	489.311729	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"917426"	499.340486	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1302885"	535.317164	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1379954"	351.342224	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1396359"	369.3522	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"294586"	773.717076	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"688833"	1160.071976	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1364821"	387.362176	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H"	1.007276
"139772"	387.362176	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"580057"	580.539626	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1051165"	194.184726	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"211774"	258.577209333333	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"659120"	387.362176	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1176756"	129.792242666667	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"439938"	790.743623	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"800785"	1177.098523	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1696751"	404.388723	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"345637"	395.8754495	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"734041"	589.0528995	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1488589"	202.6979995	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"405446"	795.699018	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"768752"	1182.053918	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1616736"	409.344118	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"315230"	398.353147	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"712632"	591.530597	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1465359"	205.175697	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1055322"	137.119556666667	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1262469"	419.388386	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"381043"	811.672958	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"744226"	1198.027858	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1541905"	425.318058	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+K"	38.963158
"303459"	406.340117	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"694784"	599.517567	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1455170"	213.162667	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"244866"	814.743626	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1215389"	428.388726	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1199272"	214.698001	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"203446"	817.68096	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"640452"	1204.03586	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1146473"	431.32606	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"187129"	409.344118	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"627870"	602.521568	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1128129"	216.166668	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1411653"	144.446870666667	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1443048"	433.367646	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"233104"	414.37714	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1518250"	447.41969	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"419029"	417.331088	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"778932"	610.508538	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1679518"	224.153638	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"259602"	836.725568	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1227936"	450.370668	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1716091"	450.394193	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1181082"	151.774184666667	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1652430"	455.349588	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"162210"	849.62884	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"598614"	1235.98374	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1087741"	463.27394	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"141882"	425.318058	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"584846"	618.495508	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1071545"	232.140608	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1105848"	465.288492	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1338956"	465.376107	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1007609"	469.415276	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1533269"	470.408908	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"992422"	235.211276	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1592029"	471.323528	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1417688"	501.355038	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1153443"	255.724551	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1704090"	518.381585	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1638647"	523.33698	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1579768"	539.31092	"C15337"	"Allocholesterol;Coprostenol;3beta-Hydroxycholest-4-ene"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"810134"	338.2257	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M"	0
"988047"	319.20731	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H2O-H"	-19.01839
"76289"	224.476524	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-3H"	-3.021828
"515850"	337.218424	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-3H"	-3.021828
"892559"	111.734624	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-3H"	-3.021828
"3480"	337.218424	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H"	-2.014552
"448507"	506.331274	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H"	-2.014552
"826308"	168.105574	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H"	-2.014552
"78679"	675.444124	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-H"	-1.007276
"519174"	1013.669824	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-H"	-1.007276
"895755"	337.218424	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H"	-1.007276
"47543"	692.470671	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H+NH4"	16.019271
"487390"	1030.696371	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H+NH4"	16.019271
"869934"	354.244971	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H+NH4"	16.019271
"32122"	697.426066	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H+Na"	20.974666
"477398"	1035.651766	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H+Na"	20.974666
"858482"	359.200366	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H+Na"	20.974666
"1626922"	359.200366	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na-2H"	20.974666
"101264"	355.206763	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-H+Cl"	33.962126
"545200"	524.319613	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-H+Cl"	33.962126
"928506"	186.093913	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+Cl"	33.962126
"269616"	711.420802	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Cl"	34.969402
"664227"	1049.646502	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+Cl"	34.969402
"1277724"	373.195102	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl"	34.969402
"30377"	713.400006	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H+K"	36.948606
"469693"	1051.625706	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H+K"	36.948606
"848355"	375.174306	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H+K"	36.948606
"1570947"	375.174306	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K-2H"	36.948606
"956682"	383.223894	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+HCOOH"	44.998194
"375264"	721.449601	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+HCOOH-H"	44.998201
"358052"	735.465251	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Hac-H"	59.013851
"1503241"	397.239551	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Hac-H"	59.013851
"967502"	405.205851	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+NaCOOH"	66.980151
"119688"	373.195102	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2Cl"	69.938804
"559249"	542.307952	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2Cl"	69.938804
"1031329"	204.082252	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2Cl"	69.938804
"1250908"	417.144585	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Br"	78.918885
"1308982"	419.200572	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl+HCOOH"	80.974872
"1322103"	441.182529	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl+NaCOOH"	102.956829
"917536"	451.211286	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+CF3COOH"	112.985586
"1300808"	487.187964	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl+CF3COOH"	148.962264
"1378971"	303.213024	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H-2H2O"	-35.012676
"1396465"	321.223	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H-H2O"	-17.0027
"297124"	677.458676	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H"	1.007276
"685291"	1015.684376	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H"	1.007276
"1364922"	339.232976	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H"	1.007276
"140243"	339.232976	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2H"	2.014552
"578464"	508.345826	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2H"	2.014552
"1048356"	170.120126	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2H"	2.014552
"217110"	226.491076	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+3H"	3.021828
"659110"	339.232976	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+3H"	3.021828
"1177964"	113.749176	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+3H"	3.021828
"438929"	694.485223	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+NH4"	18.033823
"799679"	1032.710923	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+NH4"	18.033823
"1695646"	356.259523	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+NH4"	18.033823
"344529"	347.7462495	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H+NH4"	19.041099
"734151"	516.8590995	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H+NH4"	19.041099
"1491739"	178.6333995	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+NH4"	19.041099
"404828"	699.440618	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Na"	22.989218
"768989"	1037.666318	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+Na"	22.989218
"1616484"	361.214918	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na"	22.989218
"315341"	350.223947	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H+Na"	23.996494
"709463"	519.336797	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H+Na"	23.996494
"1466564"	181.111097	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+Na"	23.996494
"1057623"	121.07649	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2H+Na"	25.00377
"1258328"	371.259186	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+CH3OH+H"	33.033486
"381154"	715.414558	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+K"	38.963158
"745429"	1053.640258	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+K"	38.963158
"1541649"	377.188858	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K"	38.963158
"299189"	358.210917	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H+K"	39.970434
"691976"	527.323767	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H+K"	39.970434
"1456373"	189.098067	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+K"	39.970434
"243884"	718.485226	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+ACN+H"	42.033826
"1213313"	380.259526	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+ACN+H"	42.033826
"1197194"	190.633401	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+ACN+2H"	43.041102
"203435"	721.42256	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2Na-H"	44.97116
"638376"	1059.64826	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2Na-H"	44.97116
"1146014"	383.19686	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2Na-H"	44.97116
"186267"	361.214918	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2Na"	45.978436
"627530"	530.327768	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2Na"	45.978436
"1127146"	192.102068	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2Na"	45.978436
"1410670"	128.403804	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+2Na"	46.985712
"1442427"	385.238446	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+HCOOH"	47.012746
"232484"	366.24794	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+3H2O+2H"	56.04448
"1518360"	399.29049	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+IsoProp+H"	61.06479
"418045"	369.201888	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Na+K"	61.952376
"780135"	538.314738	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+Na+K"	61.952376
"1675375"	200.089038	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na+K"	61.952376
"260804"	740.467168	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+ACN+Na"	64.015768
"1228409"	402.241468	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+ACN+Na"	64.015768
"1714013"	402.264993	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+NH4+HCOOH"	64.039293
"1182284"	135.731118	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+3Na"	68.967654
"1653637"	407.220388	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na+HCOOH"	68.994688
"160860"	753.37044	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2K-H"	76.91904
"598603"	1091.59614	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2K-H"	76.91904
"1089674"	415.14474	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2K-H"	76.91904
"145397"	377.188858	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2K"	77.926316
"583863"	546.301708	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2K"	77.926316
"1071655"	208.076008	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2K"	77.926316
"1103772"	417.159292	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2K+H"	78.933592
"1339066"	417.246907	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+DMSO+H"	79.021207
"1006504"	421.286076	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2ACN+H"	83.060376
"1533379"	422.279708	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+IsoProp+Na+H"	84.054008
"994357"	211.146676	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2ACN+2H"	84.067652
"1589223"	423.194328	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K+HCOOH"	84.968628
"1417798"	453.225838	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+CF3COOH"	115.000138
"1150274"	231.659951	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+3ACN+2H"	125.094202
"1705293"	470.252385	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+NH4+CF3COOH"	132.026685
"1635841"	475.20778	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na+CF3COOH"	136.98208
"1579878"	491.18172	"C15338"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K+CF3COOH"	152.95602
"812431"	316.2402	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M"	0
"989733"	297.22181	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"78448"	209.819524	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"518114"	315.232924	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"895519"	104.406124	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"7965"	315.232924	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"452991"	473.353024	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"830792"	157.112824	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"83129"	631.473124	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"520502"	947.713324	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"896600"	315.232924	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"48055"	648.499671	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"487983"	964.739871	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"865791"	332.259471	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"32349"	653.455066	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"478601"	969.695266	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"858591"	337.214866	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1630311"	337.214866	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"103560"	333.221263	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"546404"	491.341363	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"936637"	175.101163	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"272279"	667.449802	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"667617"	983.690002	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1281114"	351.209602	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"28422"	669.429006	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"470047"	985.669206	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"846510"	353.188806	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1571188"	353.188806	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"958016"	361.238394	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"376839"	677.478601	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"359621"	691.494251	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1506633"	375.254051	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"971987"	383.220351	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"123809"	351.209602	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"562641"	509.329702	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1033627"	193.089502	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1248830"	395.159085	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1305811"	397.215072	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1322213"	419.197029	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"917646"	429.225786	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1303349"	465.202464	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1379081"	281.227524	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1397550"	299.2375	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"298088"	633.487676	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"690630"	949.727876	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1366134"	317.247476	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"139023"	317.247476	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"578947"	475.367576	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1051636"	159.127376	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"218806"	211.834076	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"659096"	317.247476	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1177588"	106.420676	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"439279"	650.514223	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"800762"	966.754423	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1695746"	334.274023	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"344280"	325.7607495	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"735356"	483.8808495	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1489175"	167.6406495	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"404575"	655.469618	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"768486"	971.709818	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1616835"	339.229418	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"324808"	328.238447	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"712854"	486.358547	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1471049"	170.118347	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1059920"	113.74799	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1259411"	349.273686	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"381264"	671.443558	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"743353"	987.683758	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1545406"	355.203358	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"302582"	336.225417	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"692569"	494.345517	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1454298"	178.105317	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"242902"	674.514226	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1215610"	358.274026	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1197303"	179.640651	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"202206"	677.45156	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"638486"	993.69176	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1144180"	361.21136	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"182002"	339.229418	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"626909"	497.349518	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1129569"	181.109318	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1409687"	121.075304	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1441804"	363.252946	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"231502"	344.26244	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1522362"	377.30499	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"422773"	347.216388	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"776965"	505.336488	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1674391"	189.096288	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"262009"	696.496168	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1232532"	380.255968	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1719230"	380.279493	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1184585"	128.402618	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1656664"	385.234888	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"161336"	709.39944	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"603086"	1025.63964	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1089784"	393.15924	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"148787"	355.203358	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"589440"	513.323458	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1071036"	197.083258	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1104975"	395.173792	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1343550"	395.261407	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1010987"	399.300576	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1538350"	400.294208	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"993373"	200.153926	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1591155"	401.208828	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1419001"	431.240338	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1150384"	220.667201	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1705403"	448.266885	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1638867"	453.22228	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1579988"	469.19622	"C15339"	"17alpha2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one;2alpha17-Dimethyltestosterone"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"812541"	366.1807	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M"	0
"986080"	347.16231	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-H2O-H"	-19.01839
"73228"	243.113190666667	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M-3H"	-3.021828
"514976"	365.173424	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M-3H"	-3.021828
"890591"	121.052957333333	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-3H"	-3.021828
"10258"	365.173424	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M-2H"	-2.014552
"447634"	548.263774	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M-2H"	-2.014552
"824341"	182.083074	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-2H"	-2.014552
"83241"	731.354124	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M-H"	-1.007276
"522802"	1097.534824	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M-H"	-1.007276
"895974"	365.173424	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-H"	-1.007276
"47431"	748.380671	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M-2H+NH4"	16.019271
"487727"	1114.561371	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M-2H+NH4"	16.019271
"865901"	382.199971	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-2H+NH4"	16.019271
"31851"	753.336066	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M-2H+Na"	20.974666
"472998"	1119.516766	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M-2H+Na"	20.974666
"858701"	387.155366	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-2H+Na"	20.974666
"1628235"	387.155366	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Na-2H"	20.974666
"104764"	383.161763	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M-H+Cl"	33.962126
"543234"	566.252113	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M-H+Cl"	33.962126
"936747"	200.071413	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-H+Cl"	33.962126
"273118"	767.330802	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+Cl"	34.969402
"667727"	1133.511502	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+Cl"	34.969402
"1281224"	401.150102	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Cl"	34.969402
"29263"	769.310006	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M-2H+K"	36.948606
"469914"	1135.490706	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M-2H+K"	36.948606
"848081"	403.129306	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-2H+K"	36.948606
"1569385"	403.129306	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+K-2H"	36.948606
"955809"	411.178894	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-H+HCOOH"	44.998194
"373658"	777.359601	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+HCOOH-H"	44.998201
"359000"	791.375251	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+Hac-H"	59.013851
"1500178"	425.194551	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Hac-H"	59.013851
"965532"	433.160851	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-H+NaCOOH"	66.980151
"117719"	401.150102	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+2Cl"	69.938804
"561656"	584.240452	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+2Cl"	69.938804
"1031549"	218.059752	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2Cl"	69.938804
"1250033"	445.099585	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Br"	78.918885
"1310292"	447.155572	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Cl+HCOOH"	80.974872
"1322321"	469.137529	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Cl+NaCOOH"	102.956829
"921036"	479.166286	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M-H+CF3COOH"	112.985586
"1301759"	515.142964	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Cl+CF3COOH"	148.962264
"1381015"	331.168024	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H-2H2O"	-35.012676
"1397417"	349.178	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H-H2O"	-17.0027
"297469"	733.368676	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+H"	1.007276
"688793"	1099.549376	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+H"	1.007276
"1365144"	367.187976	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H"	1.007276
"140950"	367.187976	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+2H"	2.014552
"580752"	550.278326	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+2H"	2.014552
"1052710"	184.097626	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2H"	2.014552
"219762"	245.127742666667	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+3H"	3.021828
"659444"	367.187976	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+3H"	3.021828
"1177211"	123.067509333333	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+3H"	3.021828
"438898"	750.395223	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+NH4"	18.033823
"800871"	1116.575923	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+NH4"	18.033823
"1694763"	384.214523	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+NH4"	18.033823
"345632"	375.7012495	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+H+NH4"	19.041099
"735465"	558.7915995	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+H+NH4"	19.041099
"1489286"	192.6108995	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H+NH4"	19.041099
"407966"	755.350618	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+Na"	22.989218
"766774"	1121.531318	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+Na"	22.989218
"1617431"	389.169918	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Na"	22.989218
"323824"	378.178947	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+H+Na"	23.996494
"718431"	561.269297	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+H+Na"	23.996494
"1470065"	195.088597	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H+Na"	23.996494
"1061125"	130.394823333333	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2H+Na"	25.00377
"1268268"	399.214186	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+CH3OH+H"	33.033486
"379190"	771.324558	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+K"	38.963158
"742371"	1137.505258	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+K"	38.963158
"1547703"	405.143858	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+K"	38.963158
"303056"	386.165917	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+H+K"	39.970434
"692923"	569.256267	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+H+K"	39.970434
"1454408"	203.075567	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H+K"	39.970434
"243010"	774.395226	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+ACN+H"	42.033826
"1219000"	408.214526	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+ACN+H"	42.033826
"1195956"	204.610901	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+ACN+2H"	43.041102
"202316"	777.33256	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+2Na-H"	44.97116
"643336"	1143.51326	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+2Na-H"	44.97116
"1142102"	411.15186	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2Na-H"	44.97116
"186486"	389.169918	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+2Na"	45.978436
"626901"	572.260268	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+2Na"	45.978436
"1129800"	206.079568	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2Na"	45.978436
"1409799"	137.722137333333	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H+2Na"	46.985712
"1440821"	413.193446	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H+HCOOH"	47.012746
"231612"	394.20294	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+3H2O+2H"	56.04448
"1519675"	427.24549	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+IsoProp+H"	61.06479
"420453"	397.156888	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+Na+K"	61.952376
"777076"	580.247238	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+Na+K"	61.952376
"1674501"	214.066538	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Na+K"	61.952376
"262848"	796.377168	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+ACN+Na"	64.015768
"1232642"	430.196468	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+ACN+Na"	64.015768
"1720434"	430.219993	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+NH4+HCOOH"	64.039293
"1185789"	145.049451333333	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+3Na"	68.967654
"1654587"	435.175388	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Na+HCOOH"	68.994688
"161446"	809.28044	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+2K-H"	76.91904
"604290"	1175.46114	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+2K-H"	76.91904
"1088801"	443.09974	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2K-H"	76.91904
"145617"	405.143858	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"2M+2K"	77.926316
"582989"	588.234208	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"3M+2K"	77.926316
"1069323"	222.053508	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2K"	77.926316
"1105085"	445.114292	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2K+H"	78.933592
"1343660"	445.201907	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+DMSO+H"	79.021207
"1012190"	449.241076	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2ACN+H"	83.060376
"1538460"	450.234708	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+IsoProp+Na+H"	84.054008
"993483"	225.124176	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+2ACN+2H"	84.067652
"1591266"	451.149328	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+K+HCOOH"	84.968628
"1419111"	481.180838	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+H+CF3COOH"	115.000138
"1152681"	245.637451	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+3ACN+2H"	125.094202
"1705513"	498.207385	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+NH4+CF3COOH"	132.026685
"1638977"	503.16278	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+Na+CF3COOH"	136.98208
"1580098"	519.13672	"C15340"	"202121-Trifluoro-3-methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol"	"C21H25F3O2"	"366.1807"	"M+K+CF3COOH"	152.95602
"810464"	256.0859	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M"	0
"988014"	237.06751	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-H2O-H"	-19.01839
"76619"	169.716657333333	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M-3H"	-3.021828
"516910"	255.078624	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M-3H"	-3.021828
"893983"	84.3546906666667	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-3H"	-3.021828
"11463"	255.078624	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M-2H"	-2.014552
"447744"	383.121574	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M-2H"	-2.014552
"826638"	127.035674	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-2H"	-2.014552
"81529"	511.164524	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M-H"	-1.007276
"522913"	767.250424	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M-H"	-1.007276
"899622"	255.078624	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-H"	-1.007276
"51810"	528.191071	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M-2H+NH4"	16.019271
"492462"	784.276971	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M-2H+NH4"	16.019271
"868077"	272.105171	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-2H+NH4"	16.019271
"32695"	533.146466	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M-2H+Na"	20.974666
"472744"	789.232366	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M-2H+Na"	20.974666
"863065"	277.060566	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-2H+Na"	20.974666
"1633329"	277.060566	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Na-2H"	20.974666
"104874"	273.066963	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M-H+Cl"	33.962126
"543342"	401.109913	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M-H+Cl"	33.962126
"940138"	145.024013	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-H+Cl"	33.962126
"274321"	547.141202	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+Cl"	34.969402
"663461"	803.227102	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+Cl"	34.969402
"1282429"	291.055302	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Cl"	34.969402
"30874"	549.120406	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M-2H+K"	36.948606
"471082"	805.206306	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M-2H+K"	36.948606
"847951"	293.034506	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-2H+K"	36.948606
"1570794"	293.034506	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+K-2H"	36.948606
"955920"	301.084094	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-H+HCOOH"	44.998194
"375591"	557.170001	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+HCOOH-H"	44.998201
"359717"	571.185651	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+Hac-H"	59.013851
"1500288"	315.099751	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Hac-H"	59.013851
"966736"	323.066051	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-H+NaCOOH"	66.980151
"122204"	291.055302	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+2Cl"	69.938804
"563952"	419.098252	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+2Cl"	69.938804
"1036642"	163.012352	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2Cl"	69.938804
"1256342"	335.004785	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Br"	78.918885
"1315872"	337.060772	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Cl+HCOOH"	80.974872
"1332274"	359.042729	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Cl+NaCOOH"	102.956829
"924427"	369.071486	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M-H+CF3COOH"	112.985586
"1303776"	405.048164	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Cl+CF3COOH"	148.962264
"1382547"	221.073224	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H-2H2O"	-35.012676
"1398017"	239.0832	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H-H2O"	-17.0027
"298470"	513.179076	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+H"	1.007276
"690729"	769.264976	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+H"	1.007276
"1365621"	257.093176	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H"	1.007276
"139606"	257.093176	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+2H"	2.014552
"580864"	385.136126	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+2H"	2.014552
"1052294"	129.050226	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2H"	2.014552
"219861"	171.731209333333	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+3H"	3.021828
"659189"	257.093176	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+3H"	3.021828
"1177194"	86.3692426666667	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+3H"	3.021828
"438521"	530.205623	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+NH4"	18.033823
"799272"	786.291523	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+NH4"	18.033823
"1694874"	274.119723	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+NH4"	18.033823
"344859"	265.6064495	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+H+NH4"	19.041099
"736306"	393.6493995	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+H+NH4"	19.041099
"1489396"	137.5634995	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H+NH4"	19.041099
"406985"	535.161018	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+Na"	22.989218
"767250"	791.246918	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+Na"	22.989218
"1616813"	279.075118	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Na"	22.989218
"326851"	268.084147	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+H+Na"	23.996494
"715263"	396.127097	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+H+Na"	23.996494
"1471270"	140.041197	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H+Na"	23.996494
"1063422"	93.6965566666667	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2H+Na"	25.00377
"1268378"	289.119386	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+CH3OH+H"	33.033486
"385860"	551.134958	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+K"	38.963158
"744666"	807.220858	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+K"	38.963158
"1548907"	295.049058	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+K"	38.963158
"302072"	276.071117	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+H+K"	39.970434
"693402"	404.114067	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+H+K"	39.970434
"1452332"	148.028167	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H+K"	39.970434
"240933"	554.205626	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+ACN+H"	42.033826
"1219110"	298.119726	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+ACN+H"	42.033826
"1198619"	149.563501	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+ACN+2H"	43.041102
"202426"	557.14296	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+2Na-H"	44.97116
"641986"	813.22886	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+2Na-H"	44.97116
"1141119"	301.05706	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2Na-H"	44.97116
"180036"	279.075118	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+2Na"	45.978436
"627252"	407.118068	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+2Na"	45.978436
"1129663"	151.032168	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2Na"	45.978436
"1412095"	101.023870666667	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H+2Na"	46.985712
"1440930"	303.098646	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H+HCOOH"	47.012746
"232815"	284.10814	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+3H2O+2H"	56.04448
"1523191"	317.15069	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+IsoProp+H"	61.06479
"422753"	287.062088	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+Na+K"	61.952376
"784600"	415.105038	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+Na+K"	61.952376
"1680568"	159.019138	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Na+K"	61.952376
"265144"	576.187568	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+ACN+Na"	64.015768
"1234940"	320.101668	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+ACN+Na"	64.015768
"1723823"	320.125193	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+NH4+HCOOH"	64.039293
"1183712"	108.351184666667	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+3Na"	68.967654
"1660166"	325.080588	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Na+HCOOH"	68.994688
"165932"	589.09084	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+2K-H"	76.91904
"608775"	845.17674	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+2K-H"	76.91904
"1094379"	333.00494	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2K-H"	76.91904
"147914"	295.049058	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"2M+2K"	77.926316
"587473"	423.092008	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"3M+2K"	77.926316
"1069799"	167.006108	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2K"	77.926316
"1103008"	335.019492	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2K+H"	78.933592
"1342677"	335.107107	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+DMSO+H"	79.021207
"1019352"	339.146276	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2ACN+H"	83.060376
"1539627"	340.139908	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+IsoProp+Na+H"	84.054008
"1001248"	170.076776	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+2ACN+2H"	84.067652
"1593563"	341.054528	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+K+HCOOH"	84.968628
"1419223"	371.086038	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+H+CF3COOH"	115.000138
"1158260"	190.590051	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+3ACN+2H"	125.094202
"1706718"	388.112585	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+NH4+CF3COOH"	132.026685
"1642368"	393.06798	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+Na+CF3COOH"	136.98208
"1580208"	409.04192	"C15341"	"Fluorofelbamate"	"C11H13FN2O4"	"256.0859"	"M+K+CF3COOH"	152.95602
"806200"	314.2246	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M"	0
"986299"	295.20621	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"72354"	208.475790666667	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"511914"	313.217324	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"889716"	103.734257333333	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"5010"	313.217324	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"451134"	470.329624	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"828934"	156.105024	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"82732"	627.441924	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"524116"	941.666524	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"899002"	313.217324	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"50462"	644.468471	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"492573"	958.693071	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"867456"	330.243871	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"32806"	649.423866	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"473097"	963.648466	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"863866"	335.199266	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1631736"	335.199266	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"104984"	331.205663	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"543452"	488.317963	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"931499"	174.093363	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"272245"	663.418602	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"667947"	977.643202	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1284725"	349.194002	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"30218"	665.397806	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"470871"	979.622406	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"848483"	351.173206	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1571249"	351.173206	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"958462"	359.222794	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"377085"	673.447401	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"361237"	687.463051	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1505865"	373.238451	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"970126"	381.204751	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"123407"	349.194002	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"563941"	506.306302	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1037029"	192.081702	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1256656"	393.143485	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1318899"	395.199472	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1334572"	417.181429	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"925998"	427.210186	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1303076"	463.186864	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1382536"	279.211924	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1397396"	297.2219	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"295498"	629.456476	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"690113"	943.681076	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1366094"	315.231876	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"140081"	315.231876	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"580366"	472.344176	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1052565"	158.119576	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"218890"	210.490342666667	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"657353"	315.231876	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1178154"	105.748809333333	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"438266"	646.483023	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"798653"	960.707623	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1694983"	332.258423	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"343994"	323.7451495	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"736414"	480.8574495	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1489506"	166.6328495	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"405270"	651.438418	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"767723"	965.663018	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1617651"	337.213818	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"324045"	326.222847	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"713186"	483.335147	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1468099"	169.110547	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1059160"	113.076123333333	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1265940"	347.258086	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"385971"	667.412358	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"743684"	981.636958	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1547923"	353.187758	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"301089"	334.209817	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"693876"	491.322117	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1454629"	177.097517	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"246511"	670.483026	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1219220"	356.258426	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1202010"	178.632851	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"203957"	673.42036	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"638816"	987.64496	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1141229"	359.19576	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"179416"	337.213818	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"627363"	494.326118	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1129773"	180.101518	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1412204"	120.403437333333	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1443229"	361.237346	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"234748"	342.24684	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1522082"	375.28939	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"419581"	345.200788	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"785278"	502.313088	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1679096"	188.088488	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"265254"	692.464968	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1236143"	378.240368	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1723933"	378.263893	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1186009"	127.730751333333	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1660276"	383.219288	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"166042"	705.36824	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"607792"	1019.59284	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1093395"	391.14364	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"144744"	353.187758	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"588676"	510.300058	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1070151"	196.075458	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1103118"	393.158192	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1342787"	393.245807	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1020921"	397.284976	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1539412"	398.278608	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"1003181"	199.146126	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1594767"	399.193228	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1421520"	429.224738	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1158370"	219.659401	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1707921"	446.251285	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1642478"	451.20668	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1580318"	467.18062	"C15342"	"17beta-Hydroxy-2alpha17-dimethyl-49(11)-androstadien-3-one;9(11)-Dehydro-2alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"805216"	569.1345	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M"	0
"986409"	550.11611	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-H2O-H"	-19.01839
"71371"	378.415724	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M-3H"	-3.021828
"512024"	568.127224	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M-3H"	-3.021828
"889826"	188.704224	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-3H"	-3.021828
"5120"	568.127224	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M-2H"	-2.014552
"446869"	852.694474	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M-2H"	-2.014552
"826858"	283.559974	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-2H"	-2.014552
"82479"	1137.261724	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M-H"	-1.007276
"522040"	1706.396224	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M-H"	-1.007276
"899477"	568.127224	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-H"	-1.007276
"49113"	1154.288271	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M-2H+NH4"	16.019271
"488429"	1723.422771	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M-2H+NH4"	16.019271
"865381"	585.153771	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-2H+NH4"	16.019271
"35104"	1159.243666	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M-2H+Na"	20.974666
"472479"	1728.378166	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M-2H+Na"	20.974666
"855751"	590.109166	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-2H+Na"	20.974666
"1620910"	590.109166	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Na-2H"	20.974666
"100719"	586.115563	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M-H+Cl"	33.962126
"542469"	870.682813	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M-H+Cl"	33.962126
"930516"	301.548313	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-H+Cl"	33.962126
"272355"	1173.238402	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+Cl"	34.969402
"664777"	1742.372902	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+Cl"	34.969402
"1282649"	604.103902	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Cl"	34.969402
"28873"	1175.217606	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M-2H+K"	36.948606
"471187"	1744.352106	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M-2H+K"	36.948606
"848048"	606.083106	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-2H+K"	36.948606
"1571017"	606.083106	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+K-2H"	36.948606
"957887"	614.132694	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-H+HCOOH"	44.998194
"376971"	1183.267201	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+HCOOH-H"	44.998201
"361122"	1197.282851	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+Hac-H"	59.013851
"1504154"	628.148351	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Hac-H"	59.013851
"970602"	636.114651	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-H+NaCOOH"	66.980151
"120966"	604.103902	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+2Cl"	69.938804
"563444"	888.671152	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+2Cl"	69.938804
"1036903"	319.536652	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2Cl"	69.938804
"1256846"	648.053385	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Br"	78.918885
"1319009"	650.109372	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Cl+HCOOH"	80.974872
"1334684"	672.091329	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Cl+NaCOOH"	102.956829
"925378"	682.120086	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M-H+CF3COOH"	112.985586
"1303547"	718.096764	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Cl+CF3COOH"	148.962264
"1382321"	534.121824	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H-2H2O"	-35.012676
"1397383"	552.1318	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H-H2O"	-17.0027
"295608"	1139.276276	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+H"	1.007276
"689857"	1708.410776	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+H"	1.007276
"1365842"	570.141776	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H"	1.007276
"139825"	570.141776	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+2H"	2.014552
"579992"	854.709026	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+2H"	2.014552
"1050730"	285.574526	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2H"	2.014552
"218997"	380.430276	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+3H"	3.021828
"657463"	570.141776	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+3H"	3.021828
"1177777"	190.718776	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+3H"	3.021828
"438497"	1156.302823	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+NH4"	18.033823
"797669"	1725.437323	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+NH4"	18.033823
"1691812"	587.168323	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+NH4"	18.033823
"344104"	578.6550495	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+H+NH4"	19.041099
"733608"	863.2222995	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+H+NH4"	19.041099
"1488522"	294.0877995	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H+NH4"	19.041099
"405013"	1161.258218	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+Na"	22.989218
"763824"	1730.392718	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+Na"	22.989218
"1615936"	592.123718	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Na"	22.989218
"320875"	581.132747	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+H+Na"	23.996494
"708922"	865.699997	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+H+Na"	23.996494
"1469303"	296.565497	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H+Na"	23.996494
"1063276"	198.04609	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2H+Na"	25.00377
"1269692"	602.167986	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+CH3OH+H"	33.033486
"386081"	1177.232158	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+K"	38.963158
"741242"	1746.366658	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+K"	38.963158
"1540743"	608.097658	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+K"	38.963158
"299376"	589.119717	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+H+K"	39.970434
"694350"	873.686967	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+H+K"	39.970434
"1452552"	304.552467	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H+K"	39.970434
"242247"	1180.302826	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+ACN+H"	42.033826
"1214227"	611.168326	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+ACN+H"	42.033826
"1197016"	306.087801	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+ACN+2H"	43.041102
"199366"	1183.24016	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+2Na-H"	44.97116
"636739"	1752.37466	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+2Na-H"	44.97116
"1141339"	614.10566	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2Na-H"	44.97116
"179526"	592.123718	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+2Na"	45.978436
"625286"	876.690968	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+2Na"	45.978436
"1129883"	307.556468	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2Na"	45.978436
"1412314"	205.373404	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H+2Na"	46.985712
"1442244"	616.147246	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H+HCOOH"	47.012746
"233035"	597.15674	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+3H2O+2H"	56.04448
"1521099"	630.19929	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+IsoProp+H"	61.06479
"418598"	600.110688	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+Na+K"	61.952376
"785061"	884.677938	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+Na+K"	61.952376
"1679936"	315.543438	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Na+K"	61.952376
"263543"	1202.284768	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+ACN+Na"	64.015768
"1238075"	633.150268	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+ACN+Na"	64.015768
"1725139"	633.173793	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+NH4+HCOOH"	64.039293
"1189399"	212.700718	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+3Na"	68.967654
"1661480"	638.129188	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Na+HCOOH"	68.994688
"166153"	1215.18804	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+2K-H"	76.91904
"607902"	1784.32254	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+2K-H"	76.91904
"1092412"	646.05354	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2K-H"	76.91904
"147040"	608.097658	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"2M+2K"	77.926316
"586600"	892.664908	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"3M+2K"	77.926316
"1069894"	323.530408	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2K"	77.926316
"1103228"	648.068092	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2K+H"	78.933592
"1343990"	648.155707	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+DMSO+H"	79.021207
"1021307"	652.194876	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2ACN+H"	83.060376
"1539714"	653.188508	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+IsoProp+Na+H"	84.054008
"1003655"	326.601076	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+2ACN+2H"	84.067652
"1594877"	654.103128	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+K+HCOOH"	84.968628
"1421630"	684.134638	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+H+CF3COOH"	115.000138
"1159573"	347.114351	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+3ACN+2H"	125.094202
"1708031"	701.161185	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+NH4+CF3COOH"	132.026685
"1642588"	706.11658	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+Na+CF3COOH"	136.98208
"1580428"	722.09052	"C15343"	"HR1917;44-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride"	"C26H23N7O42HCl"	"569.1345"	"M+K+CF3COOH"	152.95602
"805326"	191.1171	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M"	0
"987612"	172.09871	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-H2O-H"	-19.01839
"72574"	126.404124	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M-3H"	-3.021828
"513227"	190.109824	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M-3H"	-3.021828
"888842"	62.698424	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-3H"	-3.021828
"5230"	190.109824	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M-2H"	-2.014552
"446979"	285.668374	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M-2H"	-2.014552
"826967"	94.551274	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-2H"	-2.014552
"82589"	381.226924	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M-H"	-1.007276
"520326"	572.344024	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M-H"	-1.007276
"899586"	190.109824	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-H"	-1.007276
"49950"	398.253471	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M-2H+NH4"	16.019271
"487239"	589.370571	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M-2H+NH4"	16.019271
"865854"	207.136371	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-2H+NH4"	16.019271
"34849"	403.208866	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M-2H+Na"	20.974666
"474410"	594.325966	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M-2H+Na"	20.974666
"855861"	212.091766	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-2H+Na"	20.974666
"1621019"	212.091766	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Na-2H"	20.974666
"99736"	208.098163	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M-H+Cl"	33.962126
"537836"	303.656713	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M-H+Cl"	33.962126
"930626"	112.539613	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-H+Cl"	33.962126
"273558"	417.203602	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+Cl"	34.969402
"663793"	608.320702	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+Cl"	34.969402
"1278384"	226.086502	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Cl"	34.969402
"30422"	419.182806	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M-2H+K"	36.948606
"470229"	610.299906	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M-2H+K"	36.948606
"847059"	228.065706	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-2H+K"	36.948606
"1569094"	228.065706	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+K-2H"	36.948606
"957954"	236.115294	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-H+HCOOH"	44.998194
"375804"	427.232401	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+HCOOH-H"	44.998201
"360294"	441.248051	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+Hac-H"	59.013851
"1502805"	250.130951	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Hac-H"	59.013851
"970712"	258.097251	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-H+NaCOOH"	66.980151
"121076"	226.086502	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+2Cl"	69.938804
"561001"	321.645052	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+2Cl"	69.938804
"1033081"	130.527952	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2Cl"	69.938804
"1255213"	270.035985	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Br"	78.918885
"1307454"	272.091972	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Cl+HCOOH"	80.974872
"1326043"	294.073929	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Cl+NaCOOH"	102.956829
"920383"	304.102686	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M-H+CF3COOH"	112.985586
"1303415"	340.079364	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Cl+CF3COOH"	148.962264
"1382067"	156.104424	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H-2H2O"	-35.012676
"1398147"	174.1144	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H-H2O"	-17.0027
"297542"	383.241476	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+H"	1.007276
"689968"	574.358576	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+H"	1.007276
"1366315"	192.124376	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H"	1.007276
"139933"	192.124376	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+2H"	2.014552
"580222"	287.682926	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+2H"	2.014552
"1049016"	96.565826	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2H"	2.014552
"217648"	128.418676	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+3H"	3.021828
"655386"	192.124376	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+3H"	3.021828
"1171324"	64.712976	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+3H"	3.021828
"431315"	400.268023	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+NH4"	18.033823
"792310"	591.385123	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+NH4"	18.033823
"1690829"	209.150923	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+NH4"	18.033823
"342389"	200.6376495	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+H+NH4"	19.041099
"734811"	296.1961995	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+H+NH4"	19.041099
"1490818"	105.0790995	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H+NH4"	19.041099
"406215"	405.223418	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+Na"	22.989218
"767576"	596.340518	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+Na"	22.989218
"1616045"	214.106318	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Na"	22.989218
"323170"	203.115347	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+H+Na"	23.996494
"715591"	298.673897	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+H+Na"	23.996494
"1466131"	107.556797	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H+Na"	23.996494
"1059374"	72.04029	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2H+Na"	25.00377
"1264332"	224.150586	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+CH3OH+H"	33.033486
"385093"	421.197358	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+K"	38.963158
"746089"	612.314458	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+K"	38.963158
"1544861"	230.080258	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+K"	38.963158
"298734"	211.102317	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+H+K"	39.970434
"691695"	306.660867	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+H+K"	39.970434
"1448285"	115.543767	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H+K"	39.970434
"237249"	424.268026	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+ACN+H"	42.033826
"1212875"	233.150926	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+ACN+H"	42.033826
"1198945"	117.079101	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+ACN+2H"	43.041102
"196195"	427.20536	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+2Na-H"	44.97116
"637941"	618.32246	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+2Na-H"	44.97116
"1138166"	236.08826	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2Na-H"	44.97116
"181457"	214.106318	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+2Na"	45.978436
"619195"	309.664868	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+2Na"	45.978436
"1125618"	118.547768	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2Na"	45.978436
"1409143"	79.367604	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H+2Na"	46.985712
"1440166"	238.129846	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H+HCOOH"	47.012746
"230592"	219.13934	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+3H2O+2H"	56.04448
"1516833"	252.18189	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+IsoProp+H"	61.06479
"415426"	222.093288	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+Na+K"	61.952376
"775330"	317.651838	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+Na+K"	61.952376
"1671662"	126.534738	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Na+K"	61.952376
"259276"	446.249968	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+ACN+Na"	64.015768
"1235266"	255.132868	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+ACN+Na"	64.015768
"1715403"	255.156393	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+NH4+HCOOH"	64.039293
"1185134"	86.694918	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+3Na"	68.967654
"1655027"	260.111788	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Na+HCOOH"	68.994688
"162980"	459.15324	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+2K-H"	76.91904
"603635"	650.27034	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+2K-H"	76.91904
"1087053"	268.03614	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2K-H"	76.91904
"141678"	230.080258	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"2M+2K"	77.926316
"582699"	325.638808	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"3M+2K"	77.926316
"1068900"	134.521708	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2K"	77.926316
"1100015"	270.050692	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2K+H"	78.933592
"1340819"	270.138307	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+DMSO+H"	79.021207
"1013725"	274.177476	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2ACN+H"	83.060376
"1538049"	275.171108	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+IsoProp+Na+H"	84.054008
"995016"	137.592376	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+2ACN+2H"	84.067652
"1591707"	276.085728	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+K+HCOOH"	84.968628
"1418458"	306.117238	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+H+CF3COOH"	115.000138
"1148018"	158.105651	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+3ACN+2H"	125.094202
"1699393"	323.143785	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+NH4+CF3COOH"	132.026685
"1635406"	328.09918	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+Na+CF3COOH"	136.98208
"1580538"	344.07312	"C15344"	"N-Butyl-1H-pyrazolo34-dpyrimidin-4-amine;NSC4928"	"C9H13N5"	"191.1171"	"M+K+CF3COOH"	152.95602
"805436"	374.2821	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M"	0
"988452"	355.26371	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-H2O-H"	-19.01839
"72684"	248.514124	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M-3H"	-3.021828
"514431"	373.274824	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M-3H"	-3.021828
"890045"	123.753424	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-3H"	-3.021828
"8620"	373.274824	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M-2H"	-2.014552
"448183"	560.415874	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M-2H"	-2.014552
"824893"	186.133774	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-2H"	-2.014552
"82698"	747.556924	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M-H"	-1.007276
"521891"	1121.839024	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M-H"	-1.007276
"899332"	373.274824	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-H"	-1.007276
"49574"	764.583471	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M-2H+NH4"	16.019271
"489378"	1138.865571	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M-2H+NH4"	16.019271
"866207"	390.301371	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-2H+NH4"	16.019271
"36055"	769.538866	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M-2H+Na"	20.974666
"475981"	1143.820966	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M-2H+Na"	20.974666
"859252"	395.256766	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-2H+Na"	20.974666
"1625505"	395.256766	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Na-2H"	20.974666
"99846"	391.263163	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M-H+Cl"	33.962126
"540501"	578.404213	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M-H+Cl"	33.962126
"930367"	204.122113	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-H+Cl"	33.962126
"272574"	783.533602	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+Cl"	34.969402
"662806"	1157.815702	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+Cl"	34.969402
"1277401"	409.251502	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Cl"	34.969402
"27616"	785.512806	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M-2H+K"	36.948606
"470097"	1159.794906	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M-2H+K"	36.948606
"845712"	411.230706	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-2H+K"	36.948606
"1568474"	411.230706	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+K-2H"	36.948606
"957824"	419.280294	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-H+HCOOH"	44.998194
"376769"	793.562401	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+HCOOH-H"	44.998201
"359917"	807.578051	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+Hac-H"	59.013851
"1506562"	433.295951	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Hac-H"	59.013851
"969729"	441.262251	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-H+NaCOOH"	66.980151
"120457"	409.251502	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+2Cl"	69.938804
"560018"	596.392552	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+2Cl"	69.938804
"1031004"	222.110452	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2Cl"	69.938804
"1249490"	453.200985	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Br"	78.918885
"1305618"	455.256972	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Cl+HCOOH"	80.974872
"1320277"	477.238929	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Cl+NaCOOH"	102.956829
"915025"	487.267686	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M-H+CF3COOH"	112.985586
"1301215"	523.244364	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Cl+CF3COOH"	148.962264
"1382262"	339.269424	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H-2H2O"	-35.012676
"1398015"	357.2794	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H-H2O"	-17.0027
"297536"	749.571476	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+H"	1.007276
"690078"	1123.853576	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+H"	1.007276
"1366429"	375.289376	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H"	1.007276
"140533"	375.289376	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+2H"	2.014552
"580696"	562.430426	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+2H"	2.014552
"1048032"	188.148326	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2H"	2.014552
"218125"	250.528676	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+3H"	3.021828
"656957"	375.289376	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+3H"	3.021828
"1175810"	125.767976	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+3H"	3.021828
"432518"	766.598023	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+NH4"	18.033823
"793514"	1140.880123	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+NH4"	18.033823
"1693126"	392.315923	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+NH4"	18.033823
"341406"	383.8026495	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+H+NH4"	19.041099
"733828"	570.9436995	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+H+NH4"	19.041099
"1490930"	196.6615995	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H+NH4"	19.041099
"406692"	771.553418	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+Na"	22.989218
"767689"	1145.835518	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+Na"	22.989218
"1615427"	397.271318	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Na"	22.989218
"325469"	386.280347	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+H+Na"	23.996494
"715701"	573.421397	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+H+Na"	23.996494
"1466241"	199.139297	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H+Na"	23.996494
"1058391"	133.09529	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2H+Na"	25.00377
"1262256"	407.315586	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+CH3OH+H"	33.033486
"383017"	787.527358	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+K"	38.963158
"742919"	1161.809458	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+K"	38.963158
"1543879"	413.245258	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+K"	38.963158
"299106"	394.267317	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+H+K"	39.970434
"691893"	581.408367	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+H+K"	39.970434
"1448031"	207.126267	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H+K"	39.970434
"236382"	790.598026	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+ACN+H"	42.033826
"1211528"	416.315926	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+ACN+H"	42.033826
"1196501"	208.661601	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+ACN+2H"	43.041102
"193023"	793.53536	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+2Na-H"	44.97116
"634042"	1167.81746	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+2Na-H"	44.97116
"1136454"	419.25326	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2Na-H"	44.97116
"180838"	397.271318	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+2Na"	45.978436
"619305"	584.412368	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+2Na"	45.978436
"1122812"	210.130268	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2Na"	45.978436
"1409253"	140.422604	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H+2Na"	46.985712
"1441371"	421.294846	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H+HCOOH"	47.012746
"228882"	402.30434	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+3H2O+2H"	56.04448
"1514756"	435.34689	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+IsoProp+H"	61.06479
"416266"	405.258288	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+Na+K"	61.952376
"775440"	592.399338	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+Na+K"	61.952376
"1672865"	218.117238	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Na+K"	61.952376
"256107"	812.579968	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+ACN+Na"	64.015768
"1228451"	438.297868	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+ACN+Na"	64.015768
"1716610"	438.321393	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+NH4+HCOOH"	64.039293
"1183058"	147.749918	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+3Na"	68.967654
"1652950"	443.276788	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Na+HCOOH"	68.994688
"158104"	825.48324	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+2K-H"	76.91904
"600465"	1199.76534	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+2K-H"	76.91904
"1087163"	451.20114	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2K-H"	76.91904
"142027"	413.245258	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"2M+2K"	77.926316
"581953"	600.386308	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"3M+2K"	77.926316
"1069497"	226.104208	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2K"	77.926316
"1100638"	453.215692	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2K+H"	78.933592
"1342021"	453.303307	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+DMSO+H"	79.021207
"1012742"	457.342476	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2ACN+H"	83.060376
"1538280"	458.336108	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+IsoProp+Na+H"	84.054008
"992211"	229.174876	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+2ACN+2H"	84.067652
"1589629"	459.250728	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+K+HCOOH"	84.968628
"1418568"	489.282238	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+H+CF3COOH"	115.000138
"1148857"	249.688151	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+3ACN+2H"	125.094202
"1699503"	506.308785	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+NH4+CF3COOH"	132.026685
"1634784"	511.26418	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+Na+CF3COOH"	136.98208
"1580648"	527.23812	"C15345"	"3beta-(Tetrahydro-2H-pyran-2-yl)oxyandrost-5-en-17beta-ol;Androst-5-ene-3beta17beta-diol 3-tetrahydropyranyl ether"	"C24H38O3"	"374.2821"	"M+K+CF3COOH"	152.95602
"804817"	376.2614	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M"	0
"984551"	357.24301	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-H2O-H"	-19.01839
"72794"	249.833657333333	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M-3H"	-3.021828
"513446"	375.254124	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M-3H"	-3.021828
"892341"	124.413190666667	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-3H"	-3.021828
"8729"	375.254124	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M-2H"	-2.014552
"445006"	563.384824	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M-2H"	-2.014552
"826096"	187.123424	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-2H"	-2.014552
"82808"	751.515524	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M-H"	-1.007276
"522366"	1127.776924	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M-H"	-1.007276
"897254"	375.254124	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-H"	-1.007276
"49807"	768.542071	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M-2H+NH4"	16.019271
"490096"	1144.803471	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M-2H+NH4"	16.019271
"866073"	392.280671	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-2H+NH4"	16.019271
"37623"	773.497466	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M-2H+Na"	20.974666
"475362"	1149.758866	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M-2H+Na"	20.974666
"859362"	397.236066	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-2H+Na"	20.974666
"1626708"	397.236066	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Na-2H"	20.974666
"99956"	393.242463	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M-H+Cl"	33.962126
"540611"	581.373163	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M-H+Cl"	33.962126
"930478"	205.111763	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-H+Cl"	33.962126
"272684"	787.492202	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+Cl"	34.969402
"663281"	1163.753602	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+Cl"	34.969402
"1278604"	411.230802	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Cl"	34.969402
"28819"	789.471406	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M-2H+K"	36.948606
"469109"	1165.732806	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M-2H+K"	36.948606
"847276"	413.210006	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-2H+K"	36.948606
"1569312"	413.210006	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+K-2H"	36.948606
"956596"	421.259594	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-H+HCOOH"	44.998194
"375539"	797.521001	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+HCOOH-H"	44.998201
"360633"	811.536651	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+Hac-H"	59.013851
"1506308"	435.275251	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Hac-H"	59.013851
"971296"	443.241551	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-H+NaCOOH"	66.980151
"118380"	411.230802	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+2Cl"	69.938804
"561221"	599.361502	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+2Cl"	69.938804
"1031114"	223.100102	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2Cl"	69.938804
"1249599"	455.180285	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Br"	78.918885
"1305486"	457.236272	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Cl+HCOOH"	80.974872
"1320550"	479.218229	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Cl+NaCOOH"	102.956829
"918414"	489.246986	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M-H+CF3COOH"	112.985586
"1303147"	525.223664	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Cl+CF3COOH"	148.962264
"1381681"	341.248724	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H-2H2O"	-35.012676
"1397598"	359.2587	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H-H2O"	-17.0027
"297399"	753.530076	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+H"	1.007276
"689457"	1129.791476	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+H"	1.007276
"1365443"	377.268676	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H"	1.007276
"139424"	377.268676	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+2H"	2.014552
"579712"	565.399376	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+2H"	2.014552
"1047778"	189.137976	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2H"	2.014552
"217137"	251.848209333333	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+3H"	3.021828
"652324"	377.268676	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+3H"	3.021828
"1176771"	126.427742666667	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+3H"	3.021828
"430442"	770.556623	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+NH4"	18.033823
"791437"	1146.818023	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+NH4"	18.033823
"1694694"	394.295223	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+NH4"	18.033823
"344430"	385.7819495	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+H+NH4"	19.041099
"733937"	573.9126495	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+H+NH4"	19.041099
"1491037"	197.6512495	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H+NH4"	19.041099
"407164"	775.512018	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+Na"	22.989218
"768891"	1151.773418	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+Na"	22.989218
"1616629"	399.250618	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Na"	22.989218
"325578"	388.259647	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+H+Na"	23.996494
"714718"	576.390347	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+H+Na"	23.996494
"1464165"	200.128947	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H+Na"	23.996494
"1058501"	133.755056666667	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2H+Na"	25.00377
"1262366"	409.294886	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+CH3OH+H"	33.033486
"383127"	791.485958	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+K"	38.963158
"741936"	1167.747358	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+K"	38.963158
"1541071"	415.224558	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+K"	38.963158
"299461"	396.246617	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+H+K"	39.970434
"692491"	584.377317	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+H+K"	39.970434
"1448870"	208.115917	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H+K"	39.970434
"236861"	794.556626	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+ACN+H"	42.033826
"1212366"	418.295226	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+ACN+H"	42.033826
"1197341"	209.651251	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+ACN+2H"	43.041102
"194226"	797.49396	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+2Na-H"	44.97116
"638160"	1173.75536	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+2Na-H"	44.97116
"1138386"	421.23256	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2Na-H"	44.97116
"183863"	399.250618	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+2Na"	45.978436
"620144"	587.381318	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+2Na"	45.978436
"1121464"	211.119918	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2Na"	45.978436
"1407175"	141.082370666667	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H+2Na"	46.985712
"1440386"	423.274146	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H+HCOOH"	47.012746
"230450"	404.28364	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+3H2O+2H"	56.04448
"1517052"	437.32619	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+IsoProp+H"	61.06479
"417833"	407.237588	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+Na+K"	61.952376
"774820"	595.368288	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+Na+K"	61.952376
"1674068"	219.106888	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Na+K"	61.952376
"253662"	816.538568	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+ACN+Na"	64.015768
"1228921"	440.277168	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+ACN+Na"	64.015768
"1714526"	440.300693	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+NH4+HCOOH"	64.039293
"1183166"	148.409684666667	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+3Na"	68.967654
"1653424"	445.256088	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Na+HCOOH"	68.994688
"158093"	829.44184	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+2K-H"	76.91904
"602761"	1205.70324	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+2K-H"	76.91904
"1087637"	453.18044	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2K-H"	76.91904
"141651"	415.224558	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"2M+2K"	77.926316
"581982"	603.355258	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"3M+2K"	77.926316
"1069124"	227.093858	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2K"	77.926316
"1100389"	455.194992	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2K+H"	78.933592
"1343224"	455.282607	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+DMSO+H"	79.021207
"1011759"	459.321776	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2ACN+H"	83.060376
"1537175"	460.315408	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+IsoProp+Na+H"	84.054008
"990982"	230.164526	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+2ACN+2H"	84.067652
"1589739"	461.230028	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+K+HCOOH"	84.968628
"1416855"	491.261538	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+H+CF3COOH"	115.000138
"1147629"	250.677801	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+3ACN+2H"	125.094202
"1697177"	508.288085	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+NH4+CF3COOH"	132.026685
"1634894"	513.24348	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+Na+CF3COOH"	136.98208
"1580758"	529.21742	"C15346"	"5alpha-Androstane-3beta17beta-diol diacetate;3beta17beta-Diacetoxy-5alpha-androstane"	"C23H36O4"	"376.2614"	"M+K+CF3COOH"	152.95602
"804563"	194.0626	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M"	0
"984662"	175.04421	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-H2O-H"	-19.01839
"71811"	128.367790666667	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M-3H"	-3.021828
"512463"	193.055324	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M-3H"	-3.021828
"890265"	63.6802573333333	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-3H"	-3.021828
"6653"	193.055324	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M-2H"	-2.014552
"442931"	290.086624	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M-2H"	-2.014552
"825113"	96.024024	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-2H"	-2.014552
"80728"	387.117924	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M-H"	-1.007276
"521015"	581.180524	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M-H"	-1.007276
"899186"	193.055324	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-H"	-1.007276
"48216"	404.144471	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M-2H+NH4"	16.019271
"489113"	598.207071	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M-2H+NH4"	16.019271
"865576"	210.081871	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-2H+NH4"	16.019271
"36640"	409.099866	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M-2H+Na"	20.974666
"476201"	603.162466	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M-2H+Na"	20.974666
"859472"	215.037266	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-2H+Na"	20.974666
"1626818"	215.037266	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Na-2H"	20.974666
"100066"	211.043663	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M-H+Cl"	33.962126
"539626"	308.074963	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M-H+Cl"	33.962126
"930586"	114.012363	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-H+Cl"	33.962126
"269141"	423.094602	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+Cl"	34.969402
"661926"	617.157202	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+Cl"	34.969402
"1274692"	229.032002	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Cl"	34.969402
"28929"	425.073806	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M-2H+K"	36.948606
"469219"	619.136406	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M-2H+K"	36.948606
"847022"	231.011206	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-2H+K"	36.948606
"1571262"	231.011206	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+K-2H"	36.948606
"957665"	239.060794	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-H+HCOOH"	44.998194
"376981"	433.123401	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+HCOOH-H"	44.998201
"360867"	447.139051	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+Hac-H"	59.013851
"1506416"	253.076451	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Hac-H"	59.013851
"971770"	261.042751	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-H+NaCOOH"	66.980151
"116303"	229.032002	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+2Cl"	69.938804
"561331"	326.063302	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+2Cl"	69.938804
"1025756"	132.000702	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2Cl"	69.938804
"1249709"	272.981485	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Br"	78.918885
"1305960"	275.037472	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Cl+HCOOH"	80.974872
"1321997"	297.019429	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Cl+NaCOOH"	102.956829
"916337"	307.048186	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M-H+CF3COOH"	112.985586
"1301802"	343.024864	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Cl+CF3COOH"	148.962264
"1381060"	159.049924	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H-2H2O"	-35.012676
"1396370"	177.0599	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H-H2O"	-17.0027
"296054"	389.132476	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+H"	1.007276
"686653"	583.195076	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+H"	1.007276
"1359353"	195.069876	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H"	1.007276
"136617"	195.069876	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+2H"	2.014552
"578001"	292.101176	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+2H"	2.014552
"1048983"	98.038576	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2H"	2.014552
"215059"	130.382342666667	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+3H"	3.021828
"649154"	195.069876	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+3H"	3.021828
"1167643"	65.6948093333333	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+3H"	3.021828
"436746"	406.159023	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+NH4"	18.033823
"790454"	600.221623	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+NH4"	18.033823
"1688972"	212.096423	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+NH4"	18.033823
"336155"	203.5831495	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+H+NH4"	19.041099
"732953"	300.6144495	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+H+NH4"	19.041099
"1485680"	106.5518495	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H+NH4"	19.041099
"404358"	411.114418	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+Na"	22.989218
"765353"	605.177018	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+Na"	22.989218
"1613459"	217.051818	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Na"	22.989218
"322408"	206.060847	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+H+Na"	23.996494
"714828"	303.092147	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+H+Na"	23.996494
"1465369"	109.029547	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H+Na"	23.996494
"1059704"	73.0221233333333	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2H+Na"	25.00377
"1260289"	227.096086	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+CH3OH+H"	33.033486
"378133"	427.088358	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+K"	38.963158
"742046"	621.150958	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+K"	38.963158
"1541545"	233.025758	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+K"	38.963158
"299814"	214.047817	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+H+K"	39.970434
"692965"	311.079117	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+H+K"	39.970434
"1447523"	117.016517	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H+K"	39.970434
"236851"	430.159026	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+ACN+H"	42.033826
"1211017"	236.096426	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+ACN+H"	42.033826
"1195629"	118.551851	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+ACN+2H"	43.041102
"193242"	433.09636	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+2Na-H"	44.97116
"641186"	627.15896	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+2Na-H"	44.97116
"1138496"	239.03376	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2Na-H"	44.97116
"183973"	217.051818	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+2Na"	45.978436
"621347"	314.083118	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+2Na"	45.978436
"1123761"	120.020518	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2Na"	45.978436
"1409472"	80.3494373333333	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H+2Na"	46.985712
"1442683"	241.075346	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H+HCOOH"	47.012746
"231653"	222.08484	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+3H2O+2H"	56.04448
"1516069"	255.12739	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+IsoProp+H"	61.06479
"417942"	225.038788	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+Na+K"	61.952376
"775659"	322.070088	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+Na+K"	61.952376
"1673448"	128.007488	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Na+K"	61.952376
"253043"	452.140968	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+ACN+Na"	64.015768
"1229399"	258.078368	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+ACN+Na"	64.015768
"1714635"	258.101893	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+NH4+HCOOH"	64.039293
"1182547"	87.6767513333333	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+3Na"	68.967654
"1651952"	263.057288	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Na+HCOOH"	68.994688
"158690"	465.04424	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+2K-H"	76.91904
"602871"	659.10684	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+2K-H"	76.91904
"1088476"	270.98164	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2K-H"	76.91904
"142006"	233.025758	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"2M+2K"	77.926316
"582054"	330.057058	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"3M+2K"	77.926316
"1068707"	135.994458	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2K"	77.926316
"1100013"	272.996192	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2K+H"	78.933592
"1340054"	273.083807	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+DMSO+H"	79.021207
"1012962"	277.122976	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2ACN+H"	83.060376
"1537285"	278.116608	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+IsoProp+Na+H"	84.054008
"992064"	139.065126	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+2ACN+2H"	84.067652
"1590942"	279.031228	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+K+HCOOH"	84.968628
"1415750"	309.062738	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+H+CF3COOH"	115.000138
"1148347"	159.578401	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+3ACN+2H"	125.094202
"1697531"	326.089285	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+NH4+CF3COOH"	132.026685
"1635004"	331.04468	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+Na+CF3COOH"	136.98208
"1580868"	347.01862	"C15347"	"6-(Isopropylthio)purine"	"C8H10N4S"	"194.0626"	"M+K+CF3COOH"	152.95602
"804673"	192.047	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M"	0
"984772"	173.02861	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-H2O-H"	-19.01839
"74107"	127.024057333333	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M-3H"	-3.021828
"512573"	191.039724	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M-3H"	-3.021828
"889282"	63.0083906666667	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-3H"	-3.021828
"7856"	191.039724	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M-2H"	-2.014552
"445228"	287.063224	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M-2H"	-2.014552
"826316"	95.016224	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-2H"	-2.014552
"84119"	383.086724	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M-H"	-1.007276
"521490"	575.133724	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M-H"	-1.007276
"898200"	191.039724	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-H"	-1.007276
"49297"	400.113271	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M-2H+NH4"	16.019271
"488369"	592.160271	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M-2H+NH4"	16.019271
"865685"	208.066271	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-2H+NH4"	16.019271
"32371"	405.068666	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M-2H+Na"	20.974666
"474486"	597.115666	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M-2H+Na"	20.974666
"857395"	213.021666	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-2H+Na"	20.974666
"1626928"	213.021666	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Na-2H"	20.974666
"100176"	209.028063	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M-H+Cl"	33.962126
"537550"	305.051563	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M-H+Cl"	33.962126
"928510"	113.004563	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-H+Cl"	33.962126
"268158"	419.063402	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+Cl"	34.969402
"661669"	611.110402	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+Cl"	34.969402
"1275532"	227.016402	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Cl"	34.969402
"27946"	421.042606	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M-2H+K"	36.948606
"468965"	613.089606	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M-2H+K"	36.948606
"847863"	228.995606	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-2H+K"	36.948606
"1570625"	228.995606	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+K-2H"	36.948606
"957047"	237.045194	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-H+HCOOH"	44.998194
"375996"	429.092201	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+HCOOH-H"	44.998201
"361097"	443.107851	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+Hac-H"	59.013851
"1503245"	251.060851	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Hac-H"	59.013851
"969693"	259.027151	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-H+NaCOOH"	66.980151
"115319"	227.016402	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+2Cl"	69.938804
"559254"	323.039902	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+2Cl"	69.938804
"1025866"	130.992902	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2Cl"	69.938804
"1245444"	270.965885	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Br"	78.918885
"1306070"	273.021872	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Cl+HCOOH"	80.974872
"1322107"	295.003829	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Cl+NaCOOH"	102.956829
"916447"	305.032586	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M-H+CF3COOH"	112.985586
"1303368"	341.009264	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Cl+CF3COOH"	148.962264
"1379709"	157.034324	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H-2H2O"	-35.012676
"1393924"	175.0443	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H-H2O"	-17.0027
"295068"	385.101276	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+H"	1.007276
"687490"	577.148276	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+H"	1.007276
"1358370"	193.054276	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H"	1.007276
"135268"	193.054276	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+2H"	2.014552
"575191"	289.077776	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+2H"	2.014552
"1043988"	97.030776	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2H"	2.014552
"212982"	129.038609333333	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+3H"	3.021828
"649264"	193.054276	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+3H"	3.021828
"1165931"	65.0229426666667	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+3H"	3.021828
"437220"	402.127823	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+NH4"	18.033823
"788374"	594.174823	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+NH4"	18.033823
"1684343"	210.080823	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+NH4"	18.033823
"337355"	201.5675495	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+H+NH4"	19.041099
"729783"	297.5910495	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+H+NH4"	19.041099
"1479229"	105.5440495	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H+NH4"	19.041099
"397907"	407.083218	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+Na"	22.989218
"757809"	599.130218	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+Na"	22.989218
"1613568"	215.036218	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Na"	22.989218
"323610"	204.045247	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+H+Na"	23.996494
"714938"	300.068747	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+H+Na"	23.996494
"1467664"	108.021747	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H+Na"	23.996494
"1059814"	72.3502566666667	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2H+Na"	25.00377
"1261492"	225.080486	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+CH3OH+H"	33.033486
"382253"	423.057158	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+K"	38.963158
"743249"	615.104158	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+K"	38.963158
"1540927"	231.010158	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+K"	38.963158
"298681"	212.032217	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+H+K"	39.970434
"698180"	308.055717	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+H+K"	39.970434
"1448724"	116.008717	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H+K"	39.970434
"238418"	426.127826	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+ACN+H"	42.033826
"1211126"	234.080826	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+ACN+H"	42.033826
"1196103"	117.544051	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+ACN+2H"	43.041102
"190794"	429.06516	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+2Na-H"	44.97116
"632181"	621.11216	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+2Na-H"	44.97116
"1135690"	237.01816	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2Na-H"	44.97116
"185179"	215.036218	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+2Na"	45.978436
"624739"	311.059718	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+2Na"	45.978436
"1124964"	119.012718	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2Na"	45.978436
"1407395"	79.6775706666667	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H+2Na"	46.985712
"1441336"	239.059746	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H+HCOOH"	47.012746
"228120"	220.06924	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+3H2O+2H"	56.04448
"1510711"	253.11179	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+IsoProp+H"	61.06479
"411492"	223.023188	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+Na+K"	61.952376
"773582"	319.046688	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+Na+K"	61.952376
"1676471"	126.999688	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Na+K"	61.952376
"253151"	448.109768	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+ACN+Na"	64.015768
"1228050"	256.062768	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+ACN+Na"	64.015768
"1715109"	256.086293	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+NH4+HCOOH"	64.039293
"1182657"	87.0048846666667	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+3Na"	68.967654
"1653642"	261.041688	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Na+HCOOH"	68.994688
"159044"	461.01304	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+2K-H"	76.91904
"605168"	653.06004	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+2K-H"	76.91904
"1088950"	268.96604	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2K-H"	76.91904
"141634"	231.010158	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"2M+2K"	77.926316
"581545"	327.033658	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"3M+2K"	77.926316
"1068539"	134.986658	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2K"	77.926316
"1100056"	270.980592	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2K+H"	78.933592
"1340164"	271.068207	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+DMSO+H"	79.021207
"1016351"	275.107376	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2ACN+H"	83.060376
"1537759"	276.101008	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+IsoProp+Na+H"	84.054008
"992174"	138.057326	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+2ACN+2H"	84.067652
"1591052"	277.015628	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+K+HCOOH"	84.968628
"1415617"	307.047138	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+H+CF3COOH"	115.000138
"1148092"	158.570601	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+3ACN+2H"	125.094202
"1697277"	324.073685	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+NH4+CF3COOH"	132.026685
"1634504"	329.02908	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+Na+CF3COOH"	136.98208
"1580978"	345.00302	"C15348"	"6-(Allylthio)purine"	"C8H8N4S"	"192.047"	"M+K+CF3COOH"	152.95602
"805876"	320.2351	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M"	0
"987068"	301.21671	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-H2O-H"	-19.01839
"76404"	212.482790666667	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M-3H"	-3.021828
"515964"	319.227824	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M-3H"	-3.021828
"891579"	105.737757333333	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-3H"	-3.021828
"6873"	319.227824	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M-2H"	-2.014552
"450809"	479.345374	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M-2H"	-2.014552
"825332"	159.110274	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-2H"	-2.014552
"88602"	639.462924	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M-H"	-1.007276
"522696"	959.698024	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M-H"	-1.007276
"897215"	319.227824	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-H"	-1.007276
"50135"	656.489471	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M-2H+NH4"	16.019271
"490423"	976.724571	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M-2H+NH4"	16.019271
"865676"	336.254371	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-2H+NH4"	16.019271
"35398"	661.444866	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M-2H+Na"	20.974666
"477876"	981.679966	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M-2H+Na"	20.974666
"854587"	341.209766	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-2H+Na"	20.974666
"1629955"	341.209766	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Na-2H"	20.974666
"100286"	337.216163	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M-H+Cl"	33.962126
"540941"	497.333713	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M-H+Cl"	33.962126
"930447"	177.098613	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-H+Cl"	33.962126
"268269"	675.439602	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+Cl"	34.969402
"661785"	995.674702	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+Cl"	34.969402
"1274553"	355.204502	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Cl"	34.969402
"24776"	677.418806	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M-2H+K"	36.948606
"465430"	997.653906	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M-2H+K"	36.948606
"847772"	357.183706	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-2H+K"	36.948606
"1570375"	357.183706	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+K-2H"	36.948606
"958095"	365.233294	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-H+HCOOH"	44.998194
"376106"	685.468401	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+HCOOH-H"	44.998201
"358166"	699.484051	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+Hac-H"	59.013851
"1505542"	379.248951	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Hac-H"	59.013851
"969803"	387.215251	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-H+NaCOOH"	66.980151
"115429"	355.204502	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+2Cl"	69.938804
"558271"	515.322052	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+2Cl"	69.938804
"1025976"	195.086952	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2Cl"	69.938804
"1244460"	399.153985	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Br"	78.918885
"1306180"	401.209972	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Cl+HCOOH"	80.974872
"1323310"	423.191929	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Cl+NaCOOH"	102.956829
"914369"	433.220686	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M-H+CF3COOH"	112.985586
"1302748"	469.197364	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Cl+CF3COOH"	148.962264
"1381277"	285.222424	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H-2H2O"	-35.012676
"1394398"	303.2324	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H-H2O"	-17.0027
"295542"	641.477476	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+H"	1.007276
"685048"	961.712576	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+H"	1.007276
"1360667"	321.242376	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H"	1.007276
"133555"	321.242376	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+2H"	2.014552
"572021"	481.359926	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+2H"	2.014552
"1044099"	161.124826	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2H"	2.014552
"211999"	214.497342666667	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+3H"	3.021828
"657026"	321.242376	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+3H"	3.021828
"1177584"	107.752309333333	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+3H"	3.021828
"437329"	658.504023	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+NH4"	18.033823
"800392"	978.739123	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+NH4"	18.033823
"1688098"	338.268923	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+NH4"	18.033823
"336374"	329.7556495	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+H+NH4"	19.041099
"729893"	489.8731995	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+H+NH4"	19.041099
"1484806"	169.6380995	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H+NH4"	19.041099
"400204"	663.459418	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+Na"	22.989218
"760106"	983.694518	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+Na"	22.989218
"1612584"	343.224318	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Na"	22.989218
"327002"	332.233347	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+H+Na"	23.996494
"712861"	492.350897	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+H+Na"	23.996494
"1467771"	172.115797	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H+Na"	23.996494
"1062110"	115.079623333333	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2H+Na"	25.00377
"1260508"	353.268586	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+CH3OH+H"	33.033486
"382363"	679.433358	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+K"	38.963158
"743359"	999.668458	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+K"	38.963158
"1540673"	359.198258	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+K"	38.963158
"300036"	340.220317	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+H+K"	39.970434
"692822"	500.337867	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+H+K"	39.970434
"1448833"	180.102767	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H+K"	39.970434
"237798"	682.504026	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+ACN+H"	42.033826
"1211234"	362.268926	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+ACN+H"	42.033826
"1196213"	181.638101	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+ACN+2H"	43.041102
"191267"	685.44136	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+2Na-H"	44.97116
"630832"	1005.67646	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+2Na-H"	44.97116
"1133969"	365.20626	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2Na-H"	44.97116
"178726"	343.224318	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+2Na"	45.978436
"618650"	503.341868	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+2Na"	45.978436
"1119972"	183.106768	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2Na"	45.978436
"1407505"	122.406937333333	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H+2Na"	46.985712
"1442782"	367.247846	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H+HCOOH"	47.012746
"222032"	348.25734	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+3H2O+2H"	56.04448
"1516289"	381.29989	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+IsoProp+H"	61.06479
"411602"	351.211288	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+Na+K"	61.952376
"773692"	511.328838	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+Na+K"	61.952376
"1672211"	191.093738	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Na+K"	61.952376
"253993"	704.485968	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+ACN+Na"	64.015768
"1227062"	384.250868	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+ACN+Na"	64.015768
"1715219"	384.274393	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+NH4+HCOOH"	64.039293
"1182403"	129.734251333333	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+3Na"	68.967654
"1654483"	389.229788	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Na+HCOOH"	68.994688
"159154"	717.38924	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+2K-H"	76.91904
"605278"	1037.62434	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+2K-H"	76.91904
"1087966"	397.15414	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2K-H"	76.91904
"143324"	359.198258	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"2M+2K"	77.926316
"581906"	519.315808	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"3M+2K"	77.926316
"1069211"	199.080708	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2K"	77.926316
"1099986"	399.168692	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2K+H"	78.933592
"1341367"	399.256307	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+DMSO+H"	79.021207
"1018650"	403.295476	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2ACN+H"	83.060376
"1536775"	404.289108	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+IsoProp+Na+H"	84.054008
"991191"	202.151376	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+2ACN+2H"	84.067652
"1591162"	405.203728	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+K+HCOOH"	84.968628
"1416822"	435.235238	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+H+CF3COOH"	115.000138
"1149298"	222.664651	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+3ACN+2H"	125.094202
"1698237"	452.261785	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+NH4+CF3COOH"	132.026685
"1639969"	457.21718	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+Na+CF3COOH"	136.98208
"1581088"	473.19112	"C15349"	"11beta17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one;45alpha-Dihydro-11beta-hydroxy-17-methyltestosterone"	"C20H32O3"	"320.2351"	"M+K+CF3COOH"	152.95602
"804893"	384.2301	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M"	0
"988961"	365.21171	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-H2O-H"	-19.01839
"75421"	255.146124	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M-3H"	-3.021828
"513887"	383.222824	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M-3H"	-3.021828
"887315"	127.069424	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-3H"	-3.021828
"5890"	383.222824	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H"	-2.014552
"448730"	575.337874	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H"	-2.014552
"823252"	191.107774	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-2H"	-2.014552
"87618"	767.452924	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M-H"	-1.007276
"523899"	1151.683024	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M-H"	-1.007276
"897327"	383.222824	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-H"	-1.007276
"50245"	784.479471	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H+NH4"	16.019271
"489805"	1168.709571	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H+NH4"	16.019271
"866879"	400.249371	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-2H+NH4"	16.019271
"34779"	789.434866	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H+Na"	20.974666
"476164"	1173.664966	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H+Na"	20.974666
"854332"	405.204766	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-2H+Na"	20.974666
"1630429"	405.204766	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Na-2H"	20.974666
"99301"	401.211163	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M-H+Cl"	33.962126
"539957"	593.326213	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M-H+Cl"	33.962126
"931286"	209.096113	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-H+Cl"	33.962126
"268744"	803.429602	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+Cl"	34.969402
"661163"	1187.659702	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+Cl"	34.969402
"1273811"	419.199502	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl"	34.969402
"27073"	805.408806	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M-2H+K"	36.948606
"465540"	1189.638906	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M-2H+K"	36.948606
"846989"	421.178706	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-2H+K"	36.948606
"1570613"	421.178706	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+K-2H"	36.948606
"957682"	429.228294	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-H+HCOOH"	44.998194
"375858"	813.458401	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+HCOOH-H"	44.998201
"360832"	827.474051	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+Hac-H"	59.013851
"1505652"	443.243951	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Hac-H"	59.013851
"971006"	451.210251	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-H+NaCOOH"	66.980151
"117725"	419.199502	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+2Cl"	69.938804
"558381"	611.314552	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+2Cl"	69.938804
"1024992"	227.084452	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2Cl"	69.938804
"1244570"	463.148985	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Br"	78.918885
"1308112"	465.204972	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl+HCOOH"	80.974872
"1323420"	487.186929	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl+NaCOOH"	102.956829
"914478"	497.215686	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M-H+CF3COOH"	112.985586
"1302858"	533.192364	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Cl+CF3COOH"	148.962264
"1381388"	349.217424	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H-2H2O"	-35.012676
"1396696"	367.2274	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H-H2O"	-17.0027
"294193"	769.467476	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+H"	1.007276
"685521"	1153.697576	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+H"	1.007276
"1358589"	385.237376	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H"	1.007276
"131477"	385.237376	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+2H"	2.014552
"569214"	577.352426	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+2H"	2.014552
"1044209"	193.122326	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2H"	2.014552
"215389"	257.160676	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+3H"	3.021828
"657136"	385.237376	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+3H"	3.021828
"1178296"	129.083976	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+3H"	3.021828
"439631"	786.494023	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+NH4"	18.033823
"799773"	1170.724123	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+NH4"	18.033823
"1690394"	402.263923	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+NH4"	18.033823
"338672"	393.7506495	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+H+NH4"	19.041099
"732190"	585.8656995	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+H+NH4"	19.041099
"1484916"	201.6355995	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H+NH4"	19.041099
"402501"	791.449418	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+Na"	22.989218
"766777"	1175.679518	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+Na"	22.989218
"1610507"	407.219318	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Na"	22.989218
"320550"	396.228347	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+H+Na"	23.996494
"717342"	588.343397	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+H+Na"	23.996494
"1466787"	204.113297	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H+Na"	23.996494
"1056023"	136.41129	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2H+Na"	25.00377
"1258794"	417.263586	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+CH3OH+H"	33.033486
"377488"	807.423358	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+K"	38.963158
"739823"	1191.653458	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+K"	38.963158
"1540292"	423.193258	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+K"	38.963158
"303792"	404.215317	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+H+K"	39.970434
"692565"	596.330367	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+H+K"	39.970434
"1448944"	212.100267	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H+K"	39.970434
"238637"	810.494026	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+ACN+H"	42.033826
"1211710"	426.263926	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+ACN+H"	42.033826
"1196687"	213.635601	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+ACN+2H"	43.041102
"191743"	813.43136	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+2Na-H"	44.97116
"632040"	1197.66146	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+2Na-H"	44.97116
"1133714"	429.20126	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2Na-H"	44.97116
"178836"	407.219318	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+2Na"	45.978436
"618396"	599.334368	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+2Na"	45.978436
"1119718"	215.104268	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2Na"	45.978436
"1407615"	143.738604	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H+2Na"	46.985712
"1441922"	431.242846	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H+HCOOH"	47.012746
"222871"	412.25234	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+3H2O+2H"	56.04448
"1519677"	445.29489	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+IsoProp+H"	61.06479
"417179"	415.206288	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+Na+K"	61.952376
"774895"	607.321338	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+Na+K"	61.952376
"1670135"	223.091238	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Na+K"	61.952376
"254469"	832.475968	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+ACN+Na"	64.015768
"1226807"	448.245868	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+ACN+Na"	64.015768
"1714598"	448.269393	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+NH4+HCOOH"	64.039293
"1182512"	151.065918	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+3Na"	68.967654
"1652405"	453.224788	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Na+HCOOH"	68.994688
"159264"	845.37924	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+2K-H"	76.91904
"601014"	1229.60934	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+2K-H"	76.91904
"1087712"	461.14914	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2K-H"	76.91904
"142461"	423.193258	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"2M+2K"	77.926316
"581655"	615.308308	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"3M+2K"	77.926316
"1068878"	231.078208	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2K"	77.926316
"1100003"	463.163692	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2K+H"	78.933592
"1338195"	463.251307	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+DMSO+H"	79.021207
"1018760"	467.290476	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2ACN+H"	83.060376
"1535792"	468.284108	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+IsoProp+Na+H"	84.054008
"993487"	234.148876	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+2ACN+2H"	84.067652
"1591272"	469.198728	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+K+HCOOH"	84.968628
"1416932"	499.230238	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+H+CF3COOH"	115.000138
"1148315"	254.662151	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+3ACN+2H"	125.094202
"1699319"	516.256785	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+NH4+CF3COOH"	132.026685
"1634975"	521.21218	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+Na+CF3COOH"	136.98208
"1581198"	537.18612	"C15350"	"Estra-135(10)-triene-316alpha-diol dipropionate"	"C24H32O4"	"384.2301"	"M+K+CF3COOH"	152.95602
"805003"	318.1831	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M"	0
"986195"	299.16471	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H2O-H"	-19.01839
"75531"	211.114790666667	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-3H"	-3.021828
"507436"	317.175824	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-3H"	-3.021828
"886332"	105.053757333333	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-3H"	-3.021828
"7093"	317.175824	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H"	-2.014552
"447747"	476.267374	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H"	-2.014552
"822269"	158.084274	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H"	-2.014552
"85541"	635.358924	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-H"	-1.007276
"527291"	953.542024	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-H"	-1.007276
"899992"	317.175824	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H"	-1.007276
"54003"	652.385471	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H+NH4"	16.019271
"492833"	970.568571	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H+NH4"	16.019271
"869905"	334.202371	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H+NH4"	16.019271
"34890"	657.340866	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H+Na"	20.974666
"477003"	975.523966	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H+Na"	20.974666
"856630"	339.157766	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H+Na"	20.974666
"1625072"	339.157766	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na-2H"	20.974666
"99047"	335.164163	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-H+Cl"	33.962126
"538605"	494.255713	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-H+Cl"	33.962126
"930300"	176.072613	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+Cl"	33.962126
"269218"	671.335602	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Cl"	34.969402
"662367"	989.518702	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+Cl"	34.969402
"1274772"	353.152502	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl"	34.969402
"23901"	673.314806	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M-2H+K"	36.948606
"466742"	991.497906	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M-2H+K"	36.948606
"844545"	355.131706	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-2H+K"	36.948606
"1564752"	355.131706	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K-2H"	36.948606
"957874"	363.181294	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+HCOOH"	44.998194
"376818"	681.364401	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+HCOOH-H"	44.998201
"360217"	695.380051	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Hac-H"	59.013851
"1506855"	377.196951	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Hac-H"	59.013851
"971116"	385.163251	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+NaCOOH"	66.980151
"118928"	353.152502	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2Cl"	69.938804
"557397"	512.244052	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2Cl"	69.938804
"1028383"	194.060952	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2Cl"	69.938804
"1245771"	397.101985	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Br"	78.918885
"1308221"	399.157972	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl+HCOOH"	80.974872
"1325716"	421.139929	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl+NaCOOH"	102.956829
"914588"	431.168686	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M-H+CF3COOH"	112.985586
"1301507"	467.145364	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Cl+CF3COOH"	148.962264
"1380404"	283.170424	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H-2H2O"	-35.012676
"1394254"	301.1804	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H-H2O"	-17.0027
"294669"	637.373476	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H"	1.007276
"685631"	955.556576	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H"	1.007276
"1356511"	319.190376	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H"	1.007276
"130858"	319.190376	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2H"	2.014552
"570053"	478.281926	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2H"	2.014552
"1044319"	160.098826	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2H"	2.014552
"215136"	213.129342666667	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+3H"	3.021828
"654696"	319.190376	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+3H"	3.021828
"1176466"	107.068309333333	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+3H"	3.021828
"432084"	654.400023	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+NH4"	18.033823
"794172"	972.583123	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+NH4"	18.033823
"1692329"	336.216923	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+NH4"	18.033823
"338782"	327.7036495	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H+NH4"	19.041099
"730112"	486.7951995	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H+NH4"	19.041099
"1482839"	168.6120995	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+NH4"	19.041099
"397144"	659.355418	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Na"	22.989218
"761420"	977.538518	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+Na"	22.989218
"1611710"	341.172318	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na"	22.989218
"318473"	330.181347	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H+Na"	23.996494
"717453"	489.272897	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H+Na"	23.996494
"1466168"	171.089797	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+Na"	23.996494
"1056133"	114.395623333333	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2H+Na"	25.00377
"1261091"	351.216586	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+CH3OH+H"	33.033486
"377960"	675.329358	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+K"	38.963158
"739933"	993.512458	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+K"	38.963158
"1540279"	357.146258	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K"	38.963158
"303902"	338.168317	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+H+K"	39.970434
"692066"	497.259867	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+H+K"	39.970434
"1449054"	179.076767	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+K"	39.970434
"236558"	678.400026	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+ACN+H"	42.033826
"1210485"	360.216926	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+ACN+H"	42.033826
"1196798"	180.612101	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+ACN+2H"	43.041102
"190033"	681.33736	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2Na-H"	44.97116
"633243"	999.52046	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2Na-H"	44.97116
"1132489"	363.15426	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2Na-H"	44.97116
"181133"	341.172318	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2Na"	45.978436
"621786"	500.263868	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2Na"	45.978436
"1124201"	182.080768	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2Na"	45.978436
"1405538"	121.722937333333	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+2Na"	46.985712
"1444585"	365.195846	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+HCOOH"	47.012746
"230634"	346.20534	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+3H2O+2H"	56.04448
"1519789"	379.24789	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+IsoProp+H"	61.06479
"420569"	349.159288	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+Na+K"	61.952376
"777192"	508.250838	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+Na+K"	61.952376
"1672432"	190.067738	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na+K"	61.952376
"256765"	700.381968	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+ACN+Na"	64.015768
"1227650"	382.198868	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+ACN+Na"	64.015768
"1713980"	382.222393	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+NH4+HCOOH"	64.039293
"1183715"	129.050251333333	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+3Na"	68.967654
"1656890"	387.177788	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na+HCOOH"	68.994688
"161561"	713.28524	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2K-H"	76.91904
"602215"	1031.46834	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2K-H"	76.91904
"1086727"	395.10214	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2K-H"	76.91904
"143544"	357.146258	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"2M+2K"	77.926316
"581886"	516.237808	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"3M+2K"	77.926316
"1069192"	198.054708	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2K"	77.926316
"1100817"	397.116692	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2K+H"	78.933592
"1338304"	397.204307	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+DMSO+H"	79.021207
"1018870"	401.243476	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2ACN+H"	83.060376
"1538089"	402.237108	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+IsoProp+Na+H"	84.054008
"997972"	201.125376	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+2ACN+2H"	84.067652
"1595756"	403.151728	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K+HCOOH"	84.968628
"1420323"	433.183238	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+H+CF3COOH"	115.000138
"1148425"	221.638651	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+3ACN+2H"	125.094202
"1699065"	450.209785	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+NH4+CF3COOH"	132.026685
"1635814"	455.16518	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+Na+CF3COOH"	136.98208
"1581308"	471.13912	"C15351"	"7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-317-dione"	"C19H26O4"	"318.1831"	"M+K+CF3COOH"	152.95602
"808393"	456.03	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M"	0
"981930"	437.01161	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-H2O-H"	-19.01839
"70173"	303.012724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M-3H"	-3.021828
"506452"	455.022724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M-3H"	-3.021828
"884253"	151.002724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-3H"	-3.021828
"4283"	455.022724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M-2H"	-2.014552
"446764"	683.037724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M-2H"	-2.014552
"822379"	227.007724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-2H"	-2.014552
"87838"	911.052724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M-H"	-1.007276
"521568"	1367.082724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M-H"	-1.007276
"899736"	455.022724	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-H"	-1.007276
"51195"	928.079271	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M-2H+NH4"	16.019271
"489297"	1384.109271	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M-2H+NH4"	16.019271
"868557"	472.049271	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-2H+NH4"	16.019271
"34636"	933.034666	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M-2H+Na"	20.974666
"476384"	1389.064666	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M-2H+Na"	20.974666
"855646"	477.004666	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-2H+Na"	20.974666
"1624088"	477.004666	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Na-2H"	20.974666
"99522"	473.011063	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M-H+Cl"	33.962126
"536165"	701.026063	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M-H+Cl"	33.962126
"930410"	244.996063	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-H+Cl"	33.962126
"267991"	947.029402	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+Cl"	34.969402
"660897"	1403.059402	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+Cl"	34.969402
"1273907"	490.999402	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Cl"	34.969402
"24011"	949.008606	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M-2H+K"	36.948606
"467945"	1405.038606	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M-2H+K"	36.948606
"844655"	492.978606	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-2H+K"	36.948606
"1564862"	492.978606	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+K-2H"	36.948606
"958190"	501.028194	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-H+HCOOH"	44.998194
"375958"	957.058201	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+HCOOH-H"	44.998201
"359720"	971.073851	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+Hac-H"	59.013851
"1499310"	515.043851	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Hac-H"	59.013851
"967945"	523.010151	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-H+NaCOOH"	66.980151
"117945"	490.999402	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+2Cl"	69.938804
"557507"	719.014402	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+2Cl"	69.938804
"1029586"	262.984402	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2Cl"	69.938804
"1244788"	534.948885	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Br"	78.918885
"1307237"	537.004872	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Cl+HCOOH"	80.974872
"1325826"	558.986829	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Cl+NaCOOH"	102.956829
"913605"	569.015586	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M-H+CF3COOH"	112.985586
"1294687"	604.992264	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Cl+CF3COOH"	148.962264
"1380150"	421.017324	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H-2H2O"	-35.012676
"1393636"	439.0273	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H-H2O"	-17.0027
"295144"	913.067276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+H"	1.007276
"684647"	1369.097276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+H"	1.007276
"1354070"	457.037276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H"	1.007276
"131697"	457.037276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+2H"	2.014552
"572350"	685.052276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+2H"	2.014552
"1045522"	229.022276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2H"	2.014552
"212329"	305.027276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+3H"	3.021828
"652983"	457.037276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+3H"	3.021828
"1174387"	153.017276	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+3H"	3.021828
"432194"	930.093823	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+NH4"	18.033823
"792095"	1386.123823	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+NH4"	18.033823
"1692439"	474.063823	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+NH4"	18.033823
"339986"	465.5505495	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+H+NH4"	19.041099
"730222"	693.5655495	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+H+NH4"	19.041099
"1482949"	237.5355495	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H+NH4"	19.041099
"397254"	935.049218	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+Na"	22.989218
"764810"	1391.079218	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+Na"	22.989218
"1611820"	479.019218	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Na"	22.989218
"319675"	468.028247	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+H+Na"	23.996494
"710273"	696.043247	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+H+Na"	23.996494
"1462998"	240.013247	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H+Na"	23.996494
"1056243"	160.34459	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2H+Na"	25.00377
"1259378"	489.063486	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+CH3OH+H"	33.033486
"377418"	951.023158	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+K"	38.963158
"739671"	1407.053158	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+K"	38.963158
"1542095"	494.993158	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+K"	38.963158
"300001"	476.015217	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+H+K"	39.970434
"695337"	704.030217	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+H+K"	39.970434
"1449528"	248.000217	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H+K"	39.970434
"237032"	954.093826	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+ACN+H"	42.033826
"1212294"	498.063826	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+ACN+H"	42.033826
"1197635"	249.535551	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+ACN+2H"	43.041102
"190141"	957.03116	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+2Na-H"	44.97116
"632623"	1413.06116	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+2Na-H"	44.97116
"1133328"	501.00116	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2Na-H"	44.97116
"178691"	479.019218	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+2Na"	45.978436
"619344"	707.034218	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+2Na"	45.978436
"1122123"	251.004218	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2Na"	45.978436
"1402368"	167.671904	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H+2Na"	46.985712
"1443964"	503.042746	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H+HCOOH"	47.012746
"227464"	484.05224	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+3H2O+2H"	56.04448
"1519899"	517.09479	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+IsoProp+H"	61.06479
"420679"	487.006188	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+Na+K"	61.952376
"777302"	715.021188	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+Na+K"	61.952376
"1672542"	258.991188	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Na+K"	61.952376
"253959"	976.075768	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+ACN+Na"	64.015768
"1229584"	520.045768	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+ACN+Na"	64.015768
"1714576"	520.069293	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+NH4+HCOOH"	64.039293
"1182732"	174.999218	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+3Na"	68.967654
"1652624"	525.024688	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Na+HCOOH"	68.994688
"157657"	988.97904	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+2K-H"	76.91904
"599045"	1445.00904	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+2K-H"	76.91904
"1086837"	532.94904	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2K-H"	76.91904
"142309"	494.993158	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"2M+2K"	77.926316
"582187"	723.008158	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"3M+2K"	77.926316
"1069050"	266.978158	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2K"	77.926316
"1100799"	534.963592	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2K+H"	78.933592
"1338414"	535.051207	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+DMSO+H"	79.021207
"1020929"	539.090376	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2ACN+H"	83.060376
"1538199"	540.084008	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+IsoProp+Na+H"	84.054008
"998082"	270.048826	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+2ACN+2H"	84.067652
"1595866"	540.998628	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+K+HCOOH"	84.968628
"1420433"	571.030138	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+H+CF3COOH"	115.000138
"1148899"	290.562101	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+3ACN+2H"	125.094202
"1698205"	588.056685	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+NH4+CF3COOH"	132.026685
"1634831"	593.01208	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+Na+CF3COOH"	136.98208
"1579231"	608.98602	"C15352"	"6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one;6-(Dibromomethylene)testosterone"	"C20H26Br2O2"	"456.03"	"M+K+CF3COOH"	152.95602
"812878"	300.2089	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M"	0
"979854"	281.19051	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"64085"	199.131990666667	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"504373"	299.201624	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"884362"	99.0623573333333	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"5123"	299.201624	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"444686"	449.306074	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"822487"	149.097174	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"89042"	599.410524	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"521314"	899.619424	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"898023"	299.201624	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"48754"	616.437071	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"489042"	916.645971	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"864778"	316.228171	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"32560"	621.392466	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"475401"	921.601366	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"855756"	321.183566	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1623104"	321.183566	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"96716"	317.189963	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"534295"	467.294413	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"927153"	167.085513	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"267330"	635.387202	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"663683"	935.596102	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1272898"	335.178302	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"24120"	637.366406	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"466962"	937.575306	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"841482"	337.157506	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1564972"	337.157506	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"958341"	345.207094	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"376946"	645.416001	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"361392"	659.431651	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1500514"	359.222751	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"971335"	367.189051	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"119149"	335.178302	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"560897"	485.282752	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1030789"	185.073852	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1248179"	379.127785	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1308441"	381.183772	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1328123"	403.165729	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"916995"	413.194486	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1294796"	449.171164	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1380623"	265.196224	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1394110"	283.2062	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"295254"	601.425076	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"686580"	901.633976	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1362565"	301.216176	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"133994"	301.216176	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"573553"	451.320626	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1045632"	151.111726	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"214626"	201.146542666667	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"657102"	301.216176	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1175590"	101.076909333333	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"431211"	618.451623	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"794392"	918.660523	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1689633"	318.242723	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"333535"	309.7294495	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"729236"	459.8338995	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1483057"	159.6249995	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"394444"	623.407018	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"754236"	923.615918	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1606461"	323.198118	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"321970"	312.207147	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"713299"	462.311597	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1463108"	162.102697	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1053312"	108.404223333333	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1259124"	333.242386	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"377151"	639.380958	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"738603"	939.589858	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1540014"	339.172058	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"298594"	320.194117	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"692530"	470.298567	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1453650"	170.089667	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"237874"	642.451626	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1214959"	342.242726	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1196653"	171.625001	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"190618"	645.38896	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"632368"	945.59786	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1132225"	345.18006	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"178073"	323.198118	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"618726"	473.302568	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1122233"	173.093668	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1402478"	115.731537333333	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1442251"	347.221646	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"228667"	328.23114	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1520009"	361.27369	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"418602"	331.185088	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"779599"	481.289538	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1671558"	181.080638	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"257349"	664.433568	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1228600"	364.224668	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1714206"	364.248193	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1182111"	123.058851333333	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1651275"	369.203588	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"157765"	677.33684	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"599155"	977.54574	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1085123"	377.12794	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"143027"	339.172058	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"581610"	489.276508	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1068532"	189.067608	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1100309"	379.142492	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1340714"	379.230107	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1019090"	383.269276	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1538188"	384.262908	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"998192"	192.138276	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1595976"	385.177528	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1420543"	415.209038	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1148645"	212.651551	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1698559"	432.235585	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1636034"	437.19098	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1579341"	453.16492	"C15353"	"17alpha-Methyl-17beta-hydroxyandrosta-46-dien-3-one;17alpha-Methyl-67-dehydrotestosterone"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"812988"	318.2195	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M"	0
"981057"	299.20111	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"67111"	211.139057333333	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"505576"	317.212224	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"884472"	105.065890666667	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"7420"	317.212224	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"446983"	476.321974	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"822597"	158.102474	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"88058"	635.431724	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"522154"	953.651224	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"896794"	317.212224	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"49957"	652.458271	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"488423"	970.677771	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"868049"	334.238771	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"34857"	657.413666	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"474782"	975.633166	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"856960"	339.194166	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1623216"	339.194166	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"98649"	335.200563	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"535293"	494.310313	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"928196"	176.090813	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"269545"	671.408402	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"662332"	989.627902	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1274010"	353.188902	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"23137"	673.387606	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"464885"	991.607106	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"840499"	355.168106	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1566175"	355.168106	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"958122"	363.217694	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"377001"	681.437201	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"361200"	695.452851	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1507921"	377.233351	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"973026"	385.199651	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"122539"	353.188902	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"557727"	512.298652	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1033086"	194.079152	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1248289"	397.138385	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1308551"	399.194372	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1327140"	421.176329	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"917105"	431.205086	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1293813"	467.181764	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1380733"	283.206824	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1393855"	301.2168	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"293540"	637.446276	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"687055"	955.665776	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1363402"	319.226776	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"138476"	319.226776	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"572569"	478.336526	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1046836"	160.117026	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"211457"	213.153609333333	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"654296"	319.226776	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1174607"	107.080442666667	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"433508"	654.472823	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"797783"	972.692323	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1689743"	336.253323	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"333645"	327.7400495	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"729346"	486.8497995	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1484261"	168.6302995	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"394555"	659.428218	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"759560"	977.647718	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1605478"	341.208718	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"325360"	330.217747	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"712316"	489.327497	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1463219"	171.107997	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1052937"	114.407756666667	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1260328"	351.252986	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"377145"	675.402158	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"738595"	993.621658	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1540407"	357.182658	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"299248"	338.204717	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"693735"	497.314467	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1452666"	179.094967	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"237619"	678.472826	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1214704"	360.253326	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1196396"	180.630301	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"189388"	681.41016	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"632114"	999.62966	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1131726"	363.19066	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"174899"	341.208718	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"614823"	500.318468	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1117234"	182.098968	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1402588"	121.735070666667	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1434708"	365.232246	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"223310"	346.24174	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1514652"	379.28429	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"415432"	349.195688	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"774242"	508.305438	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1668388"	190.085938	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"257095"	700.454768	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1226523"	382.235268	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1716503"	382.258793	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1181128"	129.062384666667	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1651749"	387.214188	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"157635"	713.35804	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"598900"	1031.57754	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1084866"	395.13854	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"141470"	357.182658	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"581515"	516.292408	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1068560"	198.072908	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1100539"	397.153092	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1340824"	397.240707	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1017013"	401.279876	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1537326"	402.273508	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"997209"	201.143576	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1594993"	403.188128	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1419560"	433.219638	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1153128"	221.656851	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1699398"	450.246185	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1636144"	455.20158	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1581638"	471.17552	"C15354"	"17beta-Hydroxy-17-methyl-5alpha-androstane-311-dione"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"813827"	332.2351	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M"	0
"982260"	313.21671	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"67221"	220.482790666667	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"504593"	331.227824	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"881665"	109.737757333333	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"5343"	331.227824	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"444904"	497.345374	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"822705"	165.110274	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"88168"	663.462924	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"520441"	995.698024	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"896900"	331.227824	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"48239"	680.489471	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"488897"	1012.724571	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"866335"	348.254371	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"34238"	685.444866	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"474892"	1017.679966	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"853790"	353.209766	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1624419"	353.209766	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"94624"	349.216163	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"535039"	515.333713	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"927818"	183.098613	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"268316"	699.439602	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"661345"	1031.674702	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1273754"	367.204502	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"23247"	701.418806	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"463900"	1033.653906	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"838422"	369.183706	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1563005"	369.183706	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"947605"	377.233294	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"376606"	709.468401	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"360778"	723.484051	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1508304"	391.248951	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"973744"	399.215251	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"120463"	367.204502	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"557837"	533.322052	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1033196"	201.086952	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1248400"	411.153985	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1309754"	413.209972	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1327250"	435.191929	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"920496"	445.220686	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1291736"	481.197364	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1381208"	297.222424	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1395059"	315.2324	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"293650"	665.477476	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"688258"	997.712576	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1363512"	333.242376	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"134214"	333.242376	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"574502"	499.359926	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1047677"	167.124826	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"212661"	222.497342666667	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"654406"	333.242376	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1173260"	111.752309333333	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"432525"	682.504023	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"795706"	1014.739123	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1687665"	350.268923	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"333026"	341.7556495	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"727269"	507.8731995	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1482184"	175.6380995	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"393694"	687.459418	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"756390"	1019.694518	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1608868"	355.224318	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"323284"	344.233347	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"711332"	510.350897	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1462236"	178.115797	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1055845"	119.079623333333	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1260075"	365.268586	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"377551"	703.433358	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"739272"	1035.668458	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1541695"	371.198258	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"299110"	352.220317	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"693845"	518.337867	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1450222"	186.102767	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"236755"	706.504026	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1213355"	374.268926	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1195777"	187.638101	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"189256"	709.44136	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"632952"	1041.67646	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1133168"	377.20626	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"174643"	355.224318	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"614933"	521.341868	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1116852"	189.106768	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1399893"	126.406937333333	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1433722"	379.247846	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"224512"	360.25734	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1511846"	393.29989	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"416636"	363.211288	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"774351"	529.328838	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1670684"	197.093738	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"251612"	728.485968	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1226997"	396.250868	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1715884"	396.274393	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1180144"	133.734251333333	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1651495"	401.229788	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"157992"	741.38924	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"597709"	1073.62434	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1084692"	409.15414	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"141702"	371.198258	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"581581"	537.315808	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1068807"	205.080708	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1100284"	411.168692	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1339840"	411.256307	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1016027"	415.295476	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1537433"	416.289108	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"991851"	208.151376	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1589636"	417.203728	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1419670"	447.235238	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1153238"	228.664651	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1699508"	464.261785	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1636254"	469.21718	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1581748"	485.19112	"C15355"	"11alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"816124"	291.2562	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M"	0
"984557"	272.23781	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-H2O-H"	-19.01839
"71705"	193.163524	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M-3H"	-3.021828
"509078"	290.248924	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M-3H"	-3.021828
"883599"	96.078124	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-3H"	-3.021828
"6548"	290.248924	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M-2H"	-2.014552
"447202"	435.877024	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M-2H"	-2.014552
"821724"	144.620824	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-2H"	-2.014552
"88278"	581.505124	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M-H"	-1.007276
"528936"	872.761324	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M-H"	-1.007276
"897259"	290.248924	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-H"	-1.007276
"49447"	598.531671	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M-2H+NH4"	16.019271
"499579"	889.787871	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M-2H+NH4"	16.019271
"877017"	307.275471	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-2H+NH4"	16.019271
"34712"	603.487066	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M-2H+Na"	20.974666
"477554"	894.743266	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M-2H+Na"	20.974666
"857180"	312.230866	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-2H+Na"	20.974666
"1626715"	312.230866	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Na-2H"	20.974666
"104336"	308.237263	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M-H+Cl"	33.962126
"536970"	453.865363	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M-H+Cl"	33.962126
"930120"	162.609163	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-H+Cl"	33.962126
"268429"	617.481802	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+Cl"	34.969402
"661098"	908.738002	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+Cl"	34.969402
"1273985"	326.225602	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Cl"	34.969402
"25544"	619.461006	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M-2H+K"	36.948606
"461823"	910.717206	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M-2H+K"	36.948606
"844000"	328.204806	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-2H+K"	36.948606
"1565302"	328.204806	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+K-2H"	36.948606
"946622"	336.254394	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-H+HCOOH"	44.998194
"375543"	627.510601	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+HCOOH-H"	44.998201
"360765"	641.526251	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+Hac-H"	59.013851
"1506683"	350.270051	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Hac-H"	59.013851
"971303"	358.236351	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-H+NaCOOH"	66.980151
"120573"	326.225602	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+2Cl"	69.938804
"556852"	471.853702	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+2Cl"	69.938804
"1031119"	180.597502	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2Cl"	69.938804
"1248509"	370.175085	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Br"	78.918885
"1314238"	372.231072	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Cl+HCOOH"	80.974872
"1324080"	394.213029	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Cl+NaCOOH"	102.956829
"916231"	404.241786	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M-H+CF3COOH"	112.985586
"1289901"	440.218464	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Cl+CF3COOH"	148.962264
"1380953"	256.243524	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H-2H2O"	-35.012676
"1395413"	274.2535	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H-H2O"	-17.0027
"293762"	583.519676	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+H"	1.007276
"690679"	874.775876	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+H"	1.007276
"1362166"	292.263476	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H"	1.007276
"137605"	292.263476	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+2H"	2.014552
"574976"	437.891576	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+2H"	2.014552
"1048880"	146.635376	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2H"	2.014552
"211677"	195.178076	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+3H"	3.021828
"656703"	292.263476	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+3H"	3.021828
"1177015"	98.092676	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+3H"	3.021828
"435916"	600.546223	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+NH4"	18.033823
"793630"	891.802423	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+NH4"	18.033823
"1686683"	309.290023	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+NH4"	18.033823
"338239"	300.7767495	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+H+NH4"	19.041099
"730660"	446.4048495	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+H+NH4"	19.041099
"1484481"	155.1486495	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H+NH4"	19.041099
"398786"	605.501618	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+Na"	22.989218
"761967"	896.757818	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+Na"	22.989218
"1612258"	314.245418	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Na"	22.989218
"322300"	303.254447	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+H+Na"	23.996494
"712536"	448.882547	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+H+Na"	23.996494
"1465262"	157.626347	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H+Na"	23.996494
"1057414"	105.41999	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2H+Na"	25.00377
"1261280"	324.289686	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+CH3OH+H"	33.033486
"382042"	621.475558	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+K"	38.963158
"745223"	912.731758	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+K"	38.963158
"1546544"	330.219358	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+K"	38.963158
"305179"	311.241417	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+H+K"	39.970434
"697602"	456.869517	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+H+K"	39.970434
"1451425"	165.613317	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H+K"	39.970434
"240390"	624.546226	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+ACN+H"	42.033826
"1212370"	333.290026	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+ACN+H"	42.033826
"1194913"	167.148651	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+ACN+2H"	43.041102
"189364"	627.48356	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+2Na-H"	44.97116
"630873"	918.73976	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+2Na-H"	44.97116
"1133642"	336.22736	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2Na-H"	44.97116
"175479"	314.245418	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+2Na"	45.978436
"615405"	459.873518	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+2Na"	45.978436
"1117814"	168.617318	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2Na"	45.978436
"1399636"	112.747304	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H+2Na"	46.985712
"1431023"	338.268946	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H+HCOOH"	47.012746
"222057"	319.27844	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+3H2O+2H"	56.04448
"1511227"	352.32099	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+IsoProp+H"	61.06479
"413463"	322.232388	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+Na+K"	61.952376
"774825"	467.860488	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+Na+K"	61.952376
"1669335"	176.604288	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Na+K"	61.952376
"252694"	646.528168	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+ACN+Na"	64.015768
"1227471"	355.271968	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+ACN+Na"	64.015768
"1715630"	355.295493	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+NH4+HCOOH"	64.039293
"1179522"	120.074618	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+3Na"	68.967654
"1652698"	360.250888	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Na+HCOOH"	68.994688
"158831"	659.43144	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+2K-H"	76.91904
"598266"	950.68764	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+2K-H"	76.91904
"1085451"	368.17524	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2K-H"	76.91904
"141818"	330.219358	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"2M+2K"	77.926316
"581935"	475.847458	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"3M+2K"	77.926316
"1068680"	184.591258	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2K"	77.926316
"1101007"	370.189792	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2K+H"	78.933592
"1339220"	370.277407	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+DMSO+H"	79.021207
"1008481"	374.316576	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2ACN+H"	83.060376
"1529888"	375.310208	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+IsoProp+Na+H"	84.054008
"990499"	187.661926	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+2ACN+2H"	84.067652
"1587796"	376.224828	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+K+HCOOH"	84.968628
"1416861"	406.256338	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+H+CF3COOH"	115.000138
"1151161"	208.175201	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+3ACN+2H"	125.094202
"1697795"	423.282885	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+NH4+CF3COOH"	132.026685
"1636363"	428.23828	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+Na+CF3COOH"	136.98208
"1581858"	444.21222	"C15356"	"17beta-Amino-5alpha-androstan-11beta-ol"	"C19H33NO"	"291.2562"	"M+K+CF3COOH"	152.95602
"814047"	382.3236	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M"	0
"983574"	363.30521	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-H2O-H"	-19.01839
"68535"	253.875124	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M-3H"	-3.021828
"503720"	381.316324	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M-3H"	-3.021828
"881522"	126.433924	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-3H"	-3.021828
"3377"	381.316324	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M-2H"	-2.014552
"448406"	572.478124	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M-2H"	-2.014552
"822928"	190.154524	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-2H"	-2.014552
"90575"	763.639924	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M-H"	-1.007276
"525762"	1145.963524	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M-H"	-1.007276
"909032"	381.316324	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-H"	-1.007276
"59036"	780.666471	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M-2H+NH4"	16.019271
"501999"	1162.990071	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M-2H+NH4"	16.019271
"879441"	398.342871	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-2H+NH4"	16.019271
"43936"	785.621866	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M-2H+Na"	20.974666
"484590"	1167.945466	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M-2H+Na"	20.974666
"863244"	403.298266	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-2H+Na"	20.974666
"1632293"	403.298266	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Na-2H"	20.974666
"109675"	399.304663	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M-H+Cl"	33.962126
"545100"	590.466463	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M-H+Cl"	33.962126
"934241"	208.142863	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-H+Cl"	33.962126
"276078"	799.616602	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+Cl"	34.969402
"666312"	1181.940202	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+Cl"	34.969402
"1275437"	417.293002	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Cl"	34.969402
"25654"	801.595806	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M-2H+K"	36.948606
"466308"	1183.919406	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M-2H+K"	36.948606
"847027"	419.272206	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-2H+K"	36.948606
"1565412"	419.272206	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+K-2H"	36.948606
"947825"	427.321794	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-H+HCOOH"	44.998194
"376258"	809.645401	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+HCOOH-H"	44.998201
"360883"	823.661051	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+Hac-H"	59.013851
"1507407"	441.337451	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Hac-H"	59.013851
"973855"	449.303751	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-H+NaCOOH"	66.980151
"124331"	417.293002	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+2Cl"	69.938804
"561335"	608.454802	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+2Cl"	69.938804
"1031229"	226.131202	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2Cl"	69.938804
"1249713"	461.242485	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Br"	78.918885
"1312160"	463.298472	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Cl+HCOOH"	80.974872
"1323097"	485.280429	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Cl+NaCOOH"	102.956829
"918530"	495.309186	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M-H+CF3COOH"	112.985586
"1294142"	531.285864	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Cl+CF3COOH"	148.962264
"1378874"	347.310924	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H-2H2O"	-35.012676
"1397102"	365.3209	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H-H2O"	-17.0027
"295695"	765.654476	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+H"	1.007276
"690912"	1147.978076	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+H"	1.007276
"1363734"	383.330876	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H"	1.007276
"136987"	383.330876	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+2H"	2.014552
"576546"	574.492676	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+2H"	2.014552
"1049721"	192.169076	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2H"	2.014552
"215432"	255.889676	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+3H"	3.021828
"657908"	383.330876	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+3H"	3.021828
"1178303"	128.448476	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+3H"	3.021828
"436755"	782.681023	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+NH4"	18.033823
"800665"	1165.004623	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+NH4"	18.033823
"1691892"	400.357423	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+NH4"	18.033823
"342723"	391.8441495	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+H+NH4"	19.041099
"731863"	583.0059495	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+H+NH4"	19.041099
"1484591"	200.6823495	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H+NH4"	19.041099
"399989"	787.636418	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+Na"	22.989218
"764264"	1169.960018	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+Na"	22.989218
"1612370"	405.312818	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Na"	22.989218
"326784"	394.321847	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+H+Na"	23.996494
"715926"	585.483647	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+H+Na"	23.996494
"1469747"	203.160047	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H+Na"	23.996494
"1060804"	135.77579	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2H+Na"	25.00377
"1265763"	415.357086	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+CH3OH+H"	33.033486
"383245"	803.610358	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+K"	38.963158
"747520"	1185.933958	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+K"	38.963158
"1551758"	421.286758	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+K"	38.963158
"306748"	402.308817	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+H+K"	39.970434
"699171"	593.470617	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+H+K"	39.970434
"1449713"	211.147017	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H+K"	39.970434
"236856"	806.681026	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+ACN+H"	42.033826
"1211021"	424.357426	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+ACN+H"	42.033826
"1196363"	212.682351	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+ACN+2H"	43.041102
"190328"	809.61836	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+2Na-H"	44.97116
"632078"	1191.94196	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+2Na-H"	44.97116
"1132302"	427.29476	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2Na-H"	44.97116
"174618"	405.312818	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+2Na"	45.978436
"614787"	596.474618	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+2Na"	45.978436
"1118286"	214.151018	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2Na"	45.978436
"1400721"	143.103104	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H+2Na"	46.985712
"1432108"	429.336346	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H+HCOOH"	47.012746
"221438"	410.34584	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+3H2O+2H"	56.04448
"1518262"	443.38839	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+IsoProp+H"	61.06479
"417948"	413.299788	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+Na+K"	61.952376
"775665"	604.461588	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+Na+K"	61.952376
"1673092"	222.137988	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Na+K"	61.952376
"256332"	828.662968	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+ACN+Na"	64.015768
"1230135"	446.339368	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+ACN+Na"	64.015768
"1715011"	446.362893	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+NH4+HCOOH"	64.039293
"1182553"	150.430418	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+3Na"	68.967654
"1650862"	451.318288	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Na+HCOOH"	68.994688
"158577"	841.56624	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+2K-H"	76.91904
"597319"	1223.88984	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+2K-H"	76.91904
"1085074"	459.24264	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2K-H"	76.91904
"141764"	421.286758	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"2M+2K"	77.926316
"582544"	612.448558	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"3M+2K"	77.926316
"1069121"	230.124958	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2K"	77.926316
"1103671"	461.257192	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2K+H"	78.933592
"1336531"	461.344807	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+DMSO+H"	79.021207
"1006762"	465.383976	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2ACN+H"	83.060376
"1529997"	466.377608	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+IsoProp+Na+H"	84.054008
"997538"	233.195626	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+2ACN+2H"	84.067652
"1588760"	467.292228	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+K+HCOOH"	84.968628
"1414578"	497.323738	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+H+CF3COOH"	115.000138
"1147418"	253.708901	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+3ACN+2H"	125.094202
"1697089"	514.350285	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+NH4+CF3COOH"	132.026685
"1634408"	519.30568	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+Na+CF3COOH"	136.98208
"1581968"	535.27962	"C15357"	"Cholesta-35-dien-7-one"	"C27H42O"	"382.3236"	"M+K+CF3COOH"	152.95602
"814521"	336.1856	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M"	0
"980404"	317.16721	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-H2O-H"	-19.01839
"67552"	223.116457333333	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M-3H"	-3.021828
"503830"	335.178324	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M-3H"	-3.021828
"882726"	111.054590666667	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-3H"	-3.021828
"5676"	335.178324	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M-2H"	-2.014552
"448516"	503.271124	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M-2H"	-2.014552
"825225"	167.085524	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-2H"	-2.014552
"88498"	671.363924	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M-H"	-1.007276
"521497"	1007.549524	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M-H"	-1.007276
"904767"	335.178324	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-H"	-1.007276
"58050"	688.390471	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M-2H+NH4"	16.019271
"489956"	1024.576071	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M-2H+NH4"	16.019271
"868125"	352.204871	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-2H+NH4"	16.019271
"34568"	693.345866	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M-2H+Na"	20.974666
"472304"	1029.531466	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M-2H+Na"	20.974666
"859587"	357.160266	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-2H+Na"	20.974666
"1621466"	357.160266	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Na-2H"	20.974666
"100182"	353.166663	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M-H+Cl"	33.962126
"536096"	521.259463	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M-H+Cl"	33.962126
"927297"	185.073863	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-H+Cl"	33.962126
"267642"	707.340602	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+Cl"	34.969402
"662048"	1043.526202	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+Cl"	34.969402
"1273723"	371.155002	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Cl"	34.969402
"20296"	709.319806	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M-2H+K"	36.948606
"458153"	1045.505406	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M-2H+K"	36.948606
"844221"	373.134206	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-2H+K"	36.948606
"1558961"	373.134206	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+K-2H"	36.948606
"950121"	381.183794	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-H+HCOOH"	44.998194
"377078"	717.369401	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+HCOOH-H"	44.998201
"360997"	731.385051	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+Hac-H"	59.013851
"1507969"	395.199451	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Hac-H"	59.013851
"972254"	403.165751	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-H+NaCOOH"	66.980151
"121522"	371.155002	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+2Cl"	69.938804
"563268"	539.247802	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+2Cl"	69.938804
"1032433"	203.062202	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2Cl"	69.938804
"1248730"	415.104485	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Br"	78.918885
"1311178"	417.160472	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Cl+HCOOH"	80.974872
"1326489"	439.142429	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Cl+NaCOOH"	102.956829
"916453"	449.171186	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M-H+CF3COOH"	112.985586
"1293162"	485.147864	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Cl+CF3COOH"	148.962264
"1380443"	301.172924	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H-2H2O"	-35.012676
"1396848"	319.1829	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H-H2O"	-17.0027
"296413"	673.378476	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+H"	1.007276
"690657"	1009.564076	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+H"	1.007276
"1364208"	337.192876	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H"	1.007276
"138192"	337.192876	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+2H"	2.014552
"578844"	505.285676	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+2H"	2.014552
"1051295"	169.100076	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2H"	2.014552
"219192"	225.131009333333	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+3H"	3.021828
"659355"	337.192876	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+3H"	3.021828
"1176994"	113.069142666667	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+3H"	3.021828
"437594"	690.405023	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+NH4"	18.033823
"798588"	1026.590623	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+NH4"	18.033823
"1692368"	354.219423	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+NH4"	18.033823
"342469"	345.7061495	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+H+NH4"	19.041099
"734889"	513.7989495	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+H+NH4"	19.041099
"1484701"	177.6133495	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H+NH4"	19.041099
"403380"	695.360418	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+Na"	22.989218
"766563"	1031.546018	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+Na"	22.989218
"1612480"	359.174818	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Na"	22.989218
"325802"	348.183847	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+H+Na"	23.996494
"716037"	516.276647	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+H+Na"	23.996494
"1474960"	180.091047	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H+Na"	23.996494
"1063101"	120.396456666667	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2H+Na"	25.00377
"1269155"	369.219086	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+CH3OH+H"	33.033486
"387728"	711.334358	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+K"	38.963158
"749818"	1047.519958	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+K"	38.963158
"1548588"	375.148758	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+K"	38.963158
"306859"	356.170817	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+H+K"	39.970434
"698190"	524.263617	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+H+K"	39.970434
"1448368"	188.078017	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H+K"	39.970434
"240612"	714.405026	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+ACN+H"	42.033826
"1212226"	378.219426	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+ACN+H"	42.033826
"1195745"	189.613351	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+ACN+2H"	43.041102
"190438"	717.34236	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+2Na-H"	44.97116
"630608"	1053.52796	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+2Na-H"	44.97116
"1132167"	381.15676	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2Na-H"	44.97116
"174239"	359.174818	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+2Na"	45.978436
"614167"	527.267618	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+2Na"	45.978436
"1117667"	191.082018	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2Na"	45.978436
"1400467"	127.723770666667	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H+2Na"	46.985712
"1431853"	383.198346	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H+HCOOH"	47.012746
"221549"	364.20784	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+3H2O+2H"	56.04448
"1514363"	397.25039	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+IsoProp+H"	61.06479
"414778"	367.161788	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+Na+K"	61.952376
"775775"	535.254588	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+Na+K"	61.952376
"1674296"	199.068988	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Na+K"	61.952376
"254620"	736.386968	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+ACN+Na"	64.015768
"1230245"	400.201368	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+ACN+Na"	64.015768
"1718038"	400.224893	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+NH4+HCOOH"	64.039293
"1186673"	135.051084666667	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+3Na"	68.967654
"1655836"	405.180288	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Na+HCOOH"	68.994688
"161604"	749.29024	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+2K-H"	76.91904
"598610"	1085.47584	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+2K-H"	76.91904
"1088591"	413.10464	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2K-H"	76.91904
"142731"	375.148758	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"2M+2K"	77.926316
"583142"	543.241558	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"3M+2K"	77.926316
"1072759"	207.055958	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2K"	77.926316
"1105969"	415.119192	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2K+H"	78.933592
"1339074"	415.206807	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+DMSO+H"	79.021207
"1011978"	419.245976	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2ACN+H"	83.060376
"1530105"	420.239608	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+IsoProp+Na+H"	84.054008
"994365"	210.126626	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+2ACN+2H"	84.067652
"1592151"	421.154228	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+K+HCOOH"	84.968628
"1423278"	451.185738	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+H+CF3COOH"	115.000138
"1154660"	230.639901	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+3ACN+2H"	125.094202
"1697771"	468.212285	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+NH4+CF3COOH"	132.026685
"1635490"	473.16768	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+Na+CF3COOH"	136.98208
"1582078"	489.14162	"C15358"	"4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one;4-Chloro-17alpha-methyltestosterone"	"C20H29ClO2"	"336.1856"	"M+K+CF3COOH"	152.95602
"812442"	512.0562	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M"	0
"978320"	493.03781	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-H2O-H"	-19.01839
"67658"	340.363524	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M-3H"	-3.021828
"511591"	511.048924	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M-3H"	-3.021828
"890488"	169.678124	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-3H"	-3.021828
"7971"	511.048924	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M-2H"	-2.014552
"447531"	767.077024	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M-2H"	-2.014552
"828612"	255.020824	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-2H"	-2.014552
"86420"	1023.105124	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M-H"	-1.007276
"525981"	1535.161324	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M-H"	-1.007276
"901597"	511.048924	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-H"	-1.007276
"59256"	1040.131671	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M-2H+NH4"	16.019271
"494440"	1552.187871	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M-2H+NH4"	16.019271
"875524"	528.075471	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-2H+NH4"	16.019271
"39052"	1045.087066	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M-2H+Na"	20.974666
"475694"	1557.143266	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M-2H+Na"	20.974666
"857506"	533.030866	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-2H+Na"	20.974666
"1621576"	533.030866	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Na-2H"	20.974666
"99199"	529.037263	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M-H+Cl"	33.962126
"535478"	785.065363	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M-H+Cl"	33.962126
"935553"	273.009163	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-H+Cl"	33.962126
"271922"	1059.081802	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+Cl"	34.969402
"669811"	1571.138002	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+Cl"	34.969402
"1276746"	547.025602	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Cl"	34.969402
"18211"	1061.061006	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M-2H+K"	36.948606
"456109"	1573.117206	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M-2H+K"	36.948606
"837764"	549.004806	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-2H+K"	36.948606
"1560160"	549.004806	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+K-2H"	36.948606
"948043"	557.054394	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-H+HCOOH"	44.998194
"375743"	1069.110601	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+HCOOH-H"	44.998201
"359989"	1083.126251	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+Hac-H"	59.013851
"1506884"	571.070051	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Hac-H"	59.013851
"973936"	579.036351	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-H+NaCOOH"	66.980151
"123091"	547.025602	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+2Cl"	69.938804
"563743"	803.053702	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+2Cl"	69.938804
"1035460"	290.997502	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2Cl"	69.938804
"1253214"	590.975085	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Br"	78.918885
"1316755"	593.031072	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Cl+HCOOH"	80.974872
"1328784"	615.013029	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Cl+NaCOOH"	102.956829
"920935"	625.041786	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M-H+CF3COOH"	112.985586
"1295455"	661.018464	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Cl+CF3COOH"	148.962264
"1376906"	477.043524	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H-2H2O"	-35.012676
"1394036"	495.0535	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H-H2O"	-17.0027
"294085"	1025.119676	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+H"	1.007276
"687600"	1537.175876	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+H"	1.007276
"1358481"	513.063476	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H"	1.007276
"136473"	513.063476	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+2H"	2.014552
"575670"	769.091576	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+2H"	2.014552
"1049573"	257.035376	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2H"	2.014552
"215286"	342.378076	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+3H"	3.021828
"658736"	513.063476	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+3H"	3.021828
"1171877"	171.692676	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+3H"	3.021828
"435149"	1042.146223	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+NH4"	18.033823
"790677"	1554.202423	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+NH4"	18.033823
"1687006"	530.090023	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+NH4"	18.033823
"339659"	521.5767495	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+H+NH4"	19.041099
"726613"	777.6048495	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+H+NH4"	19.041099
"1478973"	265.5486495	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H+NH4"	19.041099
"400206"	1047.101618	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+Na"	22.989218
"759014"	1559.157818	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+Na"	22.989218
"1611497"	535.045418	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Na"	22.989218
"323358"	524.054447	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+H+Na"	23.996494
"719793"	780.082547	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+H+Na"	23.996494
"1473247"	268.026347	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H+Na"	23.996494
"1065033"	179.01999	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2H+Na"	25.00377
"1262703"	545.089686	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+CH3OH+H"	33.033486
"386744"	1063.075558	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+K"	38.963158
"749200"	1575.131758	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+K"	38.963158
"1548699"	551.019358	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+K"	38.963158
"308062"	532.041417	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+H+K"	39.970434
"698299"	788.069517	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+H+K"	39.970434
"1449932"	276.013317	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H+K"	39.970434
"242907"	1066.146226	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+ACN+H"	42.033826
"1213429"	554.090026	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+ACN+H"	42.033826
"1198407"	277.548651	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+ACN+2H"	43.041102
"197839"	1069.08356	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+2Na-H"	44.97116
"630103"	1581.13976	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+2Na-H"	44.97116
"1132157"	557.02736	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2Na-H"	44.97116
"177999"	535.045418	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+2Na"	45.978436
"614638"	791.073518	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+2Na"	45.978436
"1117415"	279.017318	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2Na"	45.978436
"1400212"	186.347304	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H+2Na"	46.985712
"1431963"	559.068946	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H+HCOOH"	47.012746
"221415"	540.07844	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+3H2O+2H"	56.04448
"1511921"	573.12099	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+IsoProp+H"	61.06479
"413795"	543.032388	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+Na+K"	61.952376
"773698"	799.060488	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+Na+K"	61.952376
"1673311"	287.004288	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Na+K"	61.952376
"254730"	1088.128168	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+ACN+Na"	64.015768
"1231448"	576.071968	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+ACN+Na"	64.015768
"1718148"	576.095493	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+NH4+HCOOH"	64.039293
"1183502"	193.674618	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+3Na"	68.967654
"1655582"	581.050888	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Na+HCOOH"	68.994688
"161715"	1101.03144	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+2K-H"	76.91904
"599085"	1613.08764	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+2K-H"	76.91904
"1087608"	588.97524	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2K-H"	76.91904
"143329"	551.019358	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"2M+2K"	77.926316
"582646"	807.047458	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"3M+2K"	77.926316
"1072870"	294.991258	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2K"	77.926316
"1108266"	590.989792	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2K+H"	78.933592
"1341373"	591.077407	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+DMSO+H"	79.021207
"1009902"	595.116576	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2ACN+H"	83.060376
"1528028"	596.110208	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+IsoProp+Na+H"	84.054008
"991558"	298.061926	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+2ACN+2H"	84.067652
"1591168"	597.024828	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+K+HCOOH"	84.968628
"1421203"	627.056338	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+H+CF3COOH"	115.000138
"1153679"	318.575201	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+3ACN+2H"	125.094202
"1697759"	644.082885	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+NH4+CF3COOH"	132.026685
"1637787"	649.03828	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+Na+CF3COOH"	136.98208
"1578908"	665.01222	"C15359"	"6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate"	"C23H30Br2O3"	"512.0562"	"M+K+CF3COOH"	152.95602
"801859"	309.1132	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M"	0
"977339"	290.09481	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-H2O-H"	-19.01839
"64488"	205.068190666667	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M-3H"	-3.021828
"510608"	308.105924	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M-3H"	-3.021828
"889504"	102.030457333333	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-3H"	-3.021828
"10268"	308.105924	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M-2H"	-2.014552
"448734"	462.662524	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M-2H"	-2.014552
"829815"	153.549324	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-2H"	-2.014552
"83249"	617.219124	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M-H"	-1.007276
"527181"	926.332324	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M-H"	-1.007276
"907175"	308.105924	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-H"	-1.007276
"60094"	634.245671	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M-2H+NH4"	16.019271
"497831"	943.358871	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M-2H+NH4"	16.019271
"873446"	325.132471	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-2H+NH4"	16.019271
"38068"	639.201066	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M-2H+Na"	20.974666
"475073"	948.314266	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M-2H+Na"	20.974666
"857616"	330.087866	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-2H+Na"	20.974666
"1619010"	330.087866	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Na-2H"	20.974666
"98216"	326.094263	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M-H+Cl"	33.962126
"538869"	480.650863	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M-H+Cl"	33.962126
"937849"	171.537663	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-H+Cl"	33.962126
"275312"	653.195802	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+Cl"	34.969402
"668827"	962.309002	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+Cl"	34.969402
"1277950"	344.082602	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Cl"	34.969402
"17230"	655.175006	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M-2H+K"	36.948606
"456544"	964.288206	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M-2H+K"	36.948606
"835687"	346.061806	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-2H+K"	36.948606
"1556260"	346.061806	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+K-2H"	36.948606
"943901"	354.111394	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-H+HCOOH"	44.998194
"375859"	663.224601	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+HCOOH-H"	44.998201
"360720"	677.240251	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+Hac-H"	59.013851
"1508012"	368.127051	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Hac-H"	59.013851
"972107"	376.093351	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-H+NaCOOH"	66.980151
"119919"	344.082602	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+2Cl"	69.938804
"561666"	498.639202	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+2Cl"	69.938804
"1029371"	189.526002	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2Cl"	69.938804
"1251136"	388.032085	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Br"	78.918885
"1312492"	390.088072	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Cl+HCOOH"	80.974872
"1328894"	412.070029	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Cl+NaCOOH"	102.956829
"916671"	422.098786	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M-H+CF3COOH"	112.985586
"1291191"	458.075464	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Cl+CF3COOH"	148.962264
"1378109"	274.100524	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H-2H2O"	-35.012676
"1392325"	292.1105	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H-H2O"	-17.0027
"292738"	619.233676	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+H"	1.007276
"684429"	928.346876	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+H"	1.007276
"1363696"	310.120476	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H"	1.007276
"137313"	310.120476	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+2H"	2.014552
"575414"	464.677076	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+2H"	2.014552
"1045306"	155.563876	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2H"	2.014552
"215760"	207.082742666667	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+3H"	3.021828
"659575"	310.120476	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+3H"	3.021828
"1169799"	104.045009333333	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+3H"	3.021828
"431977"	636.260223	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+NH4"	18.033823
"790788"	945.373423	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+NH4"	18.033823
"1687117"	327.147023	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+NH4"	18.033823
"336487"	318.6337495	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+H+NH4"	19.041099
"725993"	473.1903495	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+H+NH4"	19.041099
"1481636"	164.0771495	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H+NH4"	19.041099
"399222"	641.215618	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+Na"	22.989218
"758031"	950.328818	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+Na"	22.989218
"1613794"	332.102418	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Na"	22.989218
"323832"	321.111447	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+H+Na"	23.996494
"719536"	475.668047	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+H+Na"	23.996494
"1471898"	166.554847	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H+Na"	23.996494
"1064779"	111.372323333333	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2H+Na"	25.00377
"1266092"	342.146686	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+CH3OH+H"	33.033486
"386854"	657.189558	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+K"	38.963158
"750038"	966.302758	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+K"	38.963158
"1549903"	348.076358	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+K"	38.963158
"309265"	329.098417	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+H+K"	39.970434
"700595"	483.655017	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+H+K"	39.970434
"1451139"	174.541817	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H+K"	39.970434
"239740"	660.260226	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+ACN+H"	42.033826
"1216820"	351.147026	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+ACN+H"	42.033826
"1201797"	176.077151	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+ACN+2H"	43.041102
"199042"	663.19756	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+2Na-H"	44.97116
"629728"	972.31076	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+2Na-H"	44.97116
"1132267"	354.08436	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2Na-H"	44.97116
"176286"	332.102418	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+2Na"	45.978436
"614384"	486.659018	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+2Na"	45.978436
"1118256"	177.545818	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2Na"	45.978436
"1401050"	118.699637333333	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H+2Na"	46.985712
"1432438"	356.125946	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H+HCOOH"	47.012746
"221402"	337.13544	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+3H2O+2H"	56.04448
"1517499"	370.17799	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+IsoProp+H"	61.06479
"417187"	340.089388	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+Na+K"	61.952376
"780371"	494.645988	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+Na+K"	61.952376
"1673421"	185.532788	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Na+K"	61.952376
"259942"	682.242168	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+ACN+Na"	64.015768
"1229736"	373.128968	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+ACN+Na"	64.015768
"1719353"	373.152493	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+NH4+HCOOH"	64.039293
"1184705"	126.026951333333	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+3Na"	68.967654
"1655692"	378.107888	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Na+HCOOH"	68.994688
"165836"	695.14544	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+2K-H"	76.91904
"600289"	1004.25864	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+2K-H"	76.91904
"1088812"	386.03224	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2K-H"	76.91904
"147815"	348.076358	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"2M+2K"	77.926316
"585189"	502.632958	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"3M+2K"	77.926316
"1075168"	193.519758	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2K"	77.926316
"1104003"	388.046792	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2K+H"	78.933592
"1341482"	388.134407	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+DMSO+H"	79.021207
"1005872"	392.173576	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2ACN+H"	83.060376
"1527043"	393.167208	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+IsoProp+Na+H"	84.054008
"990573"	196.590426	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+2ACN+2H"	84.067652
"1589090"	394.081828	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+K+HCOOH"	84.968628
"1421313"	424.113338	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+H+CF3COOH"	115.000138
"1157070"	217.103701	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+3ACN+2H"	125.094202
"1697991"	441.139885	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+NH4+CF3COOH"	132.026685
"1636804"	446.09528	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+Na+CF3COOH"	136.98208
"1582298"	462.06922	"C15360"	"Evadol hydrochloride;2-Amino-12-bis(p-methoxyphenyl)ethanol hydrochloride;beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride"	"C16H19NO3HCl"	"309.1132"	"M+K+CF3COOH"	152.95602
"803914"	378.1843	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M"	0
"975262"	359.16591	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H2O-H"	-19.01839
"66782"	251.115590666667	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-3H"	-3.021828
"508531"	377.177024	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-3H"	-3.021828
"887427"	125.054157333333	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-3H"	-3.021828
"11470"	377.177024	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H"	-2.014552
"451029"	566.269174	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H"	-2.014552
"828831"	188.084874	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H"	-2.014552
"88825"	755.361324	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-H"	-1.007276
"531543"	1133.545624	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-H"	-1.007276
"908378"	377.177024	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H"	-1.007276
"62522"	772.387871	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H+NH4"	16.019271
"499034"	1150.572171	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H+NH4"	16.019271
"876838"	394.203571	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H+NH4"	16.019271
"44740"	777.343266	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H+Na"	20.974666
"479925"	1155.527566	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H+Na"	20.974666
"859913"	399.158966	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H+Na"	20.974666
"1623986"	399.158966	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na-2H"	20.974666
"101606"	395.165363	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-H+Cl"	33.962126
"542259"	584.257513	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-H+Cl"	33.962126
"937959"	206.073213	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+Cl"	33.962126
"276515"	791.338002	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Cl"	34.969402
"670030"	1169.522302	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+Cl"	34.969402
"1279154"	413.153702	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl"	34.969402
"16733"	793.317206	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M-2H+K"	36.948606
"457995"	1171.501506	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M-2H+K"	36.948606
"837984"	415.132906	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-2H+K"	36.948606
"1559287"	415.132906	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K-2H"	36.948606
"946077"	423.182494	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+HCOOH"	44.998194
"376822"	801.366801	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+HCOOH-H"	44.998201
"361195"	815.382451	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Hac-H"	59.013851
"1507845"	437.198151	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Hac-H"	59.013851
"973315"	445.164451	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+NaCOOH"	66.980151
"122945"	413.153702	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2Cl"	69.938804
"560682"	602.245852	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2Cl"	69.938804
"1036049"	224.061552	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2Cl"	69.938804
"1256719"	457.103185	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Br"	78.918885
"1318437"	459.159172	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl+HCOOH"	80.974872
"1335203"	481.141129	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl+NaCOOH"	102.956829
"923706"	491.169886	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M-H+CF3COOH"	112.985586
"1299685"	527.146564	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Cl+CF3COOH"	148.962264
"1381503"	343.171624	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H-2H2O"	-35.012676
"1396446"	361.1816	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H-H2O"	-17.0027
"295766"	757.375876	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H"	1.007276
"686726"	1135.560176	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H"	1.007276
"1365263"	379.191576	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H"	1.007276
"137789"	379.191576	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2H"	2.014552
"576982"	568.283726	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2H"	2.014552
"1047603"	190.099426	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2H"	2.014552
"215504"	253.130142666667	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+3H"	3.021828
"656159"	379.191576	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+3H"	3.021828
"1172097"	127.068709333333	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+3H"	3.021828
"433180"	774.402423	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+NH4"	18.033823
"797459"	1152.586723	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+NH4"	18.033823
"1687228"	396.218123	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+NH4"	18.033823
"337692"	387.7048495	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H+NH4"	19.041099
"727199"	576.7969995	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H+NH4"	19.041099
"1486120"	198.6126995	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+NH4"	19.041099
"403707"	779.357818	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Na"	22.989218
"763609"	1157.542118	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+Na"	22.989218
"1614996"	401.173518	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na"	22.989218
"328560"	390.182547	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H+Na"	23.996494
"720374"	579.274697	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H+Na"	23.996494
"1472372"	201.090397	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+Na"	23.996494
"1063430"	134.396023333333	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2H+Na"	25.00377
"1267296"	411.217786	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+CH3OH+H"	33.033486
"389152"	795.331758	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+K"	38.963158
"751240"	1173.516058	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+K"	38.963158
"1548920"	417.147458	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K"	38.963158
"308282"	398.169517	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+H+K"	39.970434
"701798"	587.261667	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+H+K"	39.970434
"1454528"	209.077367	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+K"	39.970434
"244223"	798.402426	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+ACN+H"	42.033826
"1215837"	420.218126	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+ACN+H"	42.033826
"1207374"	210.612701	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+ACN+2H"	43.041102
"200244"	801.33976	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2Na-H"	44.97116
"629232"	1179.52406	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2Na-H"	44.97116
"1136752"	423.15546	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2Na-H"	44.97116
"176761"	401.173518	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2Na"	45.978436
"616318"	590.265668	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2Na"	45.978436
"1118732"	212.081368	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2Na"	45.978436
"1400191"	141.723337333333	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+2Na"	46.985712
"1431821"	425.197046	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+HCOOH"	47.012746
"222972"	406.20654	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+3H2O+2H"	56.04448
"1519796"	439.24909	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+IsoProp+H"	61.06479
"420944"	409.160488	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+Na+K"	61.952376
"782303"	598.252638	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+Na+K"	61.952376
"1675716"	220.068338	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na+K"	61.952376
"262240"	820.384368	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+ACN+Na"	64.015768
"1238229"	442.200068	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+ACN+Na"	64.015768
"1722740"	442.223593	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+NH4+HCOOH"	64.039293
"1190282"	149.050651333333	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+3Na"	68.967654
"1653614"	447.178988	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na+HCOOH"	68.994688
"162665"	833.28764	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2K-H"	76.91904
"601129"	1211.47194	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2K-H"	76.91904
"1088922"	455.10334	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2K-H"	76.91904
"147926"	417.147458	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"2M+2K"	77.926316
"589674"	606.239608	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"3M+2K"	77.926316
"1072362"	228.055308	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2K"	77.926316
"1104114"	457.117892	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2K+H"	78.933592
"1342683"	457.205507	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+DMSO+H"	79.021207
"1007932"	461.244676	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2ACN+H"	83.060376
"1526058"	462.238308	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+IsoProp+Na+H"	84.054008
"994331"	231.125976	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+2ACN+2H"	84.067652
"1591385"	463.152928	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K+HCOOH"	84.968628
"1418141"	493.184438	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+H+CF3COOH"	115.000138
"1153898"	251.639251	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+3ACN+2H"	125.094202
"1699073"	510.210985	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+NH4+CF3COOH"	132.026685
"1634727"	515.16638	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+Na+CF3COOH"	136.98208
"1582408"	531.14032	"C15361"	"Descinolone;9-Fluoro-11beta16alpha17-trihydroxypregna-14-diene-320-dione"	"C21H27FO5"	"378.1843"	"M+K+CF3COOH"	152.95602
"806212"	315.1471	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M"	0
"977559"	296.12871	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-H2O-H"	-19.01839
"65802"	209.090790666667	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M-3H"	-3.021828
"508640"	314.139824	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M-3H"	-3.021828
"886445"	104.041757333333	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-3H"	-3.021828
"7209"	314.139824	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M-2H"	-2.014552
"453329"	471.713374	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M-2H"	-2.014552
"827849"	156.566274	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-2H"	-2.014552
"86750"	629.286924	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M-H"	-1.007276
"524122"	944.434024	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M-H"	-1.007276
"899739"	314.139824	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-H"	-1.007276
"62138"	646.313471	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M-2H+NH4"	16.019271
"498050"	961.460571	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M-2H+NH4"	16.019271
"870384"	331.166371	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-2H+NH4"	16.019271
"44846"	651.268866	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M-2H+Na"	20.974666
"482222"	966.415966	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M-2H+Na"	20.974666
"860023"	336.121766	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-2H+Na"	20.974666
"1628469"	336.121766	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Na-2H"	20.974666
"109008"	332.128163	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M-H+Cl"	33.962126
"542369"	489.701713	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M-H+Cl"	33.962126
"942746"	174.554613	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-H+Cl"	33.962126
"278813"	665.263602	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+Cl"	34.969402
"675208"	980.410702	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+Cl"	34.969402
"1285824"	350.116502	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Cl"	34.969402
"21824"	667.242806	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M-2H+K"	36.948606
"460290"	982.389906	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M-2H+K"	36.948606
"838093"	352.095706	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-2H+K"	36.948606
"1560490"	352.095706	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+K-2H"	36.948606
"948008"	360.145294	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-H+HCOOH"	44.998194
"375712"	675.292401	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+HCOOH-H"	44.998201
"359355"	689.308051	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+Hac-H"	59.013851
"1508233"	374.160951	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Hac-H"	59.013851
"973423"	382.127251	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-H+NaCOOH"	66.980151
"124517"	350.116502	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+2Cl"	69.938804
"565049"	507.690052	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+2Cl"	69.938804
"1034335"	192.542952	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2Cl"	69.938804
"1253912"	394.065985	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Br"	78.918885
"1314898"	396.121972	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Cl+HCOOH"	80.974872
"1333852"	418.103929	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Cl+NaCOOH"	102.956829
"924181"	428.132686	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M-H+CF3COOH"	112.985586
"1299431"	464.109364	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Cl+CF3COOH"	148.962264
"1382668"	280.134424	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H-2H2O"	-35.012676
"1397285"	298.1444	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H-H2O"	-17.0027
"295512"	631.301476	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+H"	1.007276
"685744"	946.448576	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+H"	1.007276
"1363187"	316.154376	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H"	1.007276
"139722"	316.154376	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+2H"	2.014552
"578553"	473.727926	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+2H"	2.014552
"1049900"	158.580826	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2H"	2.014552
"216707"	211.105342666667	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+3H"	3.021828
"654082"	316.154376	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+3H"	3.021828
"1175487"	106.056309333333	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+3H"	3.021828
"437665"	648.328023	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+NH4"	18.033823
"797568"	963.475123	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+NH4"	18.033823
"1687338"	333.180923	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+NH4"	18.033823
"337802"	324.6676495	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+H+NH4"	19.041099
"729131"	482.2411995	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+H+NH4"	19.041099
"1485137"	167.0940995	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H+NH4"	19.041099
"402723"	653.283418	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+Na"	22.989218
"762626"	968.430518	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+Na"	22.989218
"1610731"	338.136318	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Na"	22.989218
"329822"	327.145347	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+H+Na"	23.996494
"721337"	484.718897	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+H+Na"	23.996494
"1472483"	169.571797	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H+Na"	23.996494
"1062447"	113.383623333333	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2H+Na"	25.00377
"1266312"	348.180586	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+CH3OH+H"	33.033486
"389262"	669.257358	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+K"	38.963158
"751351"	984.404458	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+K"	38.963158
"1553774"	354.110258	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+K"	38.963158
"310581"	335.132317	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+H+K"	39.970434
"705189"	492.705867	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+H+K"	39.970434
"1455732"	177.558767	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H+K"	39.970434
"245426"	672.328026	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+ACN+H"	42.033826
"1215947"	357.180926	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+ACN+H"	42.033826
"1208456"	179.094101	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+ACN+2H"	43.041102
"201448"	675.26536	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+2Na-H"	44.97116
"632627"	990.41246	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+2Na-H"	44.97116
"1136863"	360.11826	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2Na-H"	44.97116
"179058"	338.136318	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+2Na"	45.978436
"616428"	495.709868	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+2Na"	45.978436
"1122124"	180.562768	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2Na"	45.978436
"1400546"	120.710937333333	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H+2Na"	46.985712
"1432659"	362.159846	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H+HCOOH"	47.012746
"223083"	343.16934	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+3H2O+2H"	56.04448
"1521730"	376.21189	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+IsoProp+H"	61.06479
"421054"	346.123288	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+Na+K"	61.952376
"782414"	503.696838	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+Na+K"	61.952376
"1678013"	188.549738	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Na+K"	61.952376
"263076"	694.309968	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+ACN+Na"	64.015768
"1238343"	379.162868	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+ACN+Na"	64.015768
"1725766"	379.186393	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+NH4+HCOOH"	64.039293
"1189299"	128.038251333333	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+3Na"	68.967654
"1655910"	384.141788	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Na+HCOOH"	68.994688
"162775"	707.21324	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+2K-H"	76.91904
"604519"	1022.36034	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+2K-H"	76.91904
"1090126"	392.06614	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2K-H"	76.91904
"146944"	354.110258	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"2M+2K"	77.926316
"588691"	511.683808	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"3M+2K"	77.926316
"1075389"	196.536708	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2K"	77.926316
"1106413"	394.080692	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2K+H"	78.933592
"1341702"	394.168307	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+DMSO+H"	79.021207
"1010595"	398.207476	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2ACN+H"	83.060376
"1527262"	399.201108	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+IsoProp+Na+H"	84.054008
"998090"	199.607376	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+2ACN+2H"	84.067652
"1590034"	400.115728	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+K+HCOOH"	84.968628
"1419345"	430.147238	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+H+CF3COOH"	115.000138
"1157289"	220.120651	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+3ACN+2H"	125.094202
"1700276"	447.173785	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+NH4+CF3COOH"	132.026685
"1638117"	452.12918	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+Na+CF3COOH"	136.98208
"1573770"	468.10312	"C15362"	"4-Nitroestrone;3-Hydroxy-4-nitroestra-135(10)-trien-17-one"	"C18H21NO4"	"315.1471"	"M+K+CF3COOH"	152.95602
"801423"	346.2144	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M"	0
"975116"	327.19601	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"64818"	229.802324	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"508751"	345.207124	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"886555"	114.397524	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"8411"	345.207124	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"449065"	518.314324	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"825770"	172.099924	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"85767"	691.421524	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"523139"	1037.635924	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"898756"	345.207124	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"60786"	708.448071	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"498160"	1054.662471	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"869401"	362.233671	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"43863"	713.403466	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"482332"	1059.617866	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"859040"	367.189066	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1632832"	367.189066	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"109876"	363.195463	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"544666"	536.302663	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"942643"	190.088263	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"278923"	727.398202	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"675237"	1073.612602	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1284841"	381.183802	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"23027"	729.377406	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"459307"	1075.591806	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"838203"	383.163006	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1560963"	383.163006	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"949575"	391.212594	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"376270"	737.427001	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"359830"	751.442651	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1507697"	405.228251	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"973775"	413.194551	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"125235"	381.183802	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"565484"	554.291002	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1036270"	208.076602	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1255114"	425.133285	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1316101"	427.189272	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1331046"	449.171229	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"923563"	459.199986	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1298811"	495.176664	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1382503"	311.201724	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1396664"	329.2117	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"294891"	693.436076	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"684759"	1039.650476	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1361110"	347.221676	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"136915"	347.221676	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"575380"	520.328876	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1045637"	174.114476	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"213537"	231.816876	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"653099"	347.221676	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1173410"	116.412076	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"435588"	710.462623	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"797678"	1056.677023	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1690728"	364.248223	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"334632"	355.7349495	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"729241"	528.8421495	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1484154"	182.6277495	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"405020"	715.418018	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"760550"	1061.632418	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1609748"	369.203618	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"328537"	358.212647	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"722463"	531.319847	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1474779"	185.105447	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1062556"	123.73939	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1266422"	379.247886	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"384999"	731.391958	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"748180"	1077.606358	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1550235"	385.177558	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"311784"	366.199617	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"700924"	539.306817	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1455843"	193.092417	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"246630"	734.462626	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1216058"	388.248226	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1205407"	194.627751	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"200464"	737.39996	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"633831"	1083.61436	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1136243"	391.18556	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"176250"	369.203618	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"618728"	542.310818	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1120047"	196.096418	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1400286"	131.066704	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1432038"	393.227146	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"221006"	374.23664	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1523784"	407.27919	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"421893"	377.190588	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"785077"	550.297788	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1678489"	204.083388	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"263550"	756.444568	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1240761"	410.230168	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1726241"	410.253693	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1190502"	138.394018	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1658210"	415.209088	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"163976"	769.34784	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"602442"	1115.56224	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1090236"	423.13344	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"149240"	385.177558	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"589894"	558.284758	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1075499"	212.070358	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1107615"	425.147992	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1341813"	425.235607	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1011798"	429.274776	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1526643"	430.268408	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"998200"	215.141026	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1589780"	431.183028	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1420548"	461.214538	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1154119"	235.654301	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1700385"	478.241085	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1638227"	483.19648	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1576067"	499.17042	"C15363"	"6beta11alpha-Dihydroxyprogesterone;6beta11alpha-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"802057"	330.2195	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M"	0
"983248"	311.20111	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"69303"	219.139057333333	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"505582"	329.212224	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"885573"	109.065890666667	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"6335"	329.212224	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"450268"	494.321974	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"828067"	164.102474	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"82595"	659.431724	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"522156"	989.651224	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"902147"	329.212224	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"57616"	676.458271	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"491709"	1006.677771	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"872791"	346.238771	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"36681"	681.413666	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"483534"	1011.633166	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"861704"	351.194166	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1623223"	351.194166	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"109765"	347.200563	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"548908"	512.310313	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"942739"	182.090813	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"281467"	695.408402	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"674618"	1025.627902	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1280578"	365.188902	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"19857"	697.387606	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"459417"	1027.607106	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"837220"	367.168106	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1559616"	367.168106	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"948592"	375.217694	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"375205"	705.437201	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"360181"	719.452851	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1507679"	389.233351	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"973273"	397.199651	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"125098"	365.188902	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"565391"	530.298652	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1036912"	200.079152	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1256644"	409.138385	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1316211"	411.194372	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1334803"	433.176329	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"921484"	443.205086	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1296735"	479.181764	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1382360"	295.206824	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1394223"	313.2168	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"290261"	661.446276	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"684869"	991.665776	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1361949"	331.226776	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"137755"	331.226776	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"575490"	496.336526	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1046840"	166.117026	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"213647"	221.153609333333	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"654302"	331.226776	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1173520"	111.080442666667	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"434605"	678.472823	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"794508"	1008.692323	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1690838"	348.253323	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"334742"	339.7400495	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"730446"	504.8497995	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1482078"	174.6302995	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"401851"	683.428218	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"760660"	1013.647718	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1612044"	353.208718	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"329137"	342.217747	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"722530"	507.327497	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1471609"	177.107997	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1061572"	118.407756666667	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1268720"	363.252986	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"385109"	699.402158	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"747198"	1029.621658	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1550345"	369.182658	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"305332"	350.204717	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"698847"	515.314467	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1457046"	185.094967	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"245647"	702.472826	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1213981"	372.253326	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1202237"	186.630301	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"199481"	705.41016	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"636857"	1035.62966	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1137083"	375.19066	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"176363"	353.208718	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"614464"	518.318468	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1117602"	188.098968	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1398938"	125.735070666667	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1431053"	377.232246	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"220383"	358.24174	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1523937"	391.28429	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"422733"	361.195688	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"784457"	526.305438	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1680421"	196.085938	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"266580"	724.454768	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1240019"	394.235268	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1727811"	394.258793	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1186239"	133.062384666667	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1656133"	399.214188	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"164087"	737.35804	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"603645"	1067.57754	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1092533"	407.13854	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"152633"	369.182658	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"586725"	534.292408	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1073787"	204.072908	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1107726"	409.153092	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1341922"	409.240707	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1011545"	413.279876	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1528576"	414.273508	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"996121"	207.143576	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1591716"	415.188128	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1426127"	445.219638	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1153137"	227.656851	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1698311"	462.246185	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1638339"	467.20158	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1582738"	483.17552	"C15364"	"15alpha-Hydroxyprogesterone;15alpha-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"801572"	346.2144	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M"	0
"982265"	327.19601	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H2O-H"	-19.01839
"69413"	229.802324	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-3H"	-3.021828
"505690"	345.207124	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-3H"	-3.021828
"883494"	114.397524	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-3H"	-3.021828
"8632"	345.207124	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H"	-2.014552
"448191"	518.314324	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H"	-2.014552
"825991"	172.099924	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H"	-2.014552
"83069"	691.421524	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H"	-1.007276
"520075"	1037.635924	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H"	-1.007276
"902257"	345.207124	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H"	-1.007276
"57726"	708.448071	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+NH4"	16.019271
"491819"	1054.662471	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+NH4"	16.019271
"872901"	362.233671	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+NH4"	16.019271
"36426"	713.403466	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+Na"	20.974666
"482551"	1059.617866	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+Na"	20.974666
"855981"	367.189066	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+Na"	20.974666
"1621146"	367.189066	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na-2H"	20.974666
"109223"	363.195463	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-H+Cl"	33.962126
"548167"	536.302663	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-H+Cl"	33.962126
"942048"	190.088263	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+Cl"	33.962126
"281334"	727.398202	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Cl"	34.969402
"667193"	1073.612602	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Cl"	34.969402
"1277409"	381.183802	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl"	34.969402
"16197"	729.377406	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M-2H+K"	36.948606
"456852"	1075.591806	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M-2H+K"	36.948606
"838423"	383.163006	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-2H+K"	36.948606
"1559726"	383.163006	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K-2H"	36.948606
"949795"	391.212594	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+HCOOH"	44.998194
"376654"	737.427001	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+HCOOH-H"	44.998201
"359928"	751.442651	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Hac-H"	59.013851
"1508033"	405.228251	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Hac-H"	59.013851
"973751"	413.194551	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+NaCOOH"	66.980151
"124602"	381.183802	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Cl"	69.938804
"564767"	554.291002	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Cl"	69.938804
"1036486"	208.076602	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Cl"	69.938804
"1256064"	425.133285	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Br"	78.918885
"1319605"	427.189272	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+HCOOH"	80.974872
"1333819"	449.171229	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+NaCOOH"	102.956829
"920502"	459.199986	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M-H+CF3COOH"	112.985586
"1298304"	495.176664	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Cl+CF3COOH"	148.962264
"1379024"	311.201724	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-2H2O"	-35.012676
"1395063"	329.2117	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H-H2O"	-17.0027
"292195"	693.436076	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H"	1.007276
"684980"	1039.650476	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H"	1.007276
"1360235"	347.221676	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H"	1.007276
"133124"	347.221676	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2H"	2.014552
"574871"	520.328876	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2H"	2.014552
"1045857"	174.114476	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H"	2.014552
"210477"	231.816876	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H"	3.021828
"652226"	347.221676	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+3H"	3.021828
"1172537"	116.412076	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3H"	3.021828
"433622"	710.462623	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+NH4"	18.033823
"794619"	1056.677023	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+NH4"	18.033823
"1689855"	364.248223	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4"	18.033823
"333759"	355.7349495	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+NH4"	19.041099
"727276"	528.8421495	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+NH4"	19.041099
"1479029"	182.6277495	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+NH4"	19.041099
"401961"	715.418018	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na"	22.989218
"757490"	1061.632418	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na"	22.989218
"1611061"	369.203618	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na"	22.989218
"329493"	358.212647	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+Na"	23.996494
"720817"	531.319847	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+Na"	23.996494
"1474272"	185.105447	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+Na"	23.996494
"1061684"	123.73939	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2H+Na"	25.00377
"1268830"	379.247886	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+CH3OH+H"	33.033486
"386312"	731.391958	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+K"	38.963158
"749495"	1077.606358	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+K"	38.963158
"1550454"	385.177558	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K"	38.963158
"306536"	366.199617	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+H+K"	39.970434
"697864"	539.306817	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+H+K"	39.970434
"1458246"	193.092417	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+K"	39.970434
"245754"	734.462626	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+H"	42.033826
"1220648"	388.248226	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+H"	42.033826
"1202348"	194.627751	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+2H"	43.041102
"198498"	737.39996	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na-H"	44.97116
"632958"	1083.61436	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na-H"	44.97116
"1137193"	391.18556	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na-H"	44.97116
"176473"	369.203618	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2Na"	45.978436
"616030"	542.310818	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2Na"	45.978436
"1116738"	196.096418	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2Na"	45.978436
"1400141"	131.066704	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+2Na"	46.985712
"1432255"	393.227146	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+HCOOH"	47.012746
"221585"	374.23664	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+3H2O+2H"	56.04448
"1522060"	407.27919	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+H"	61.06479
"421751"	377.190588	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+Na+K"	61.952376
"782382"	550.297788	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+Na+K"	61.952376
"1678711"	204.083388	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+K"	61.952376
"265961"	756.444568	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+ACN+Na"	64.015768
"1238306"	410.230168	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+ACN+Na"	64.015768
"1727193"	410.253693	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+HCOOH"	64.039293
"1186349"	138.394018	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3Na"	68.967654
"1654419"	415.209088	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+HCOOH"	68.994688
"162011"	769.34784	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K-H"	76.91904
"604851"	1115.56224	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K-H"	76.91904
"1092643"	423.13344	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K-H"	76.91904
"145088"	385.177558	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"2M+2K"	77.926316
"587927"	558.284758	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"3M+2K"	77.926316
"1073533"	212.070358	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K"	77.926316
"1105650"	425.147992	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2K+H"	78.933592
"1340209"	425.235607	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+DMSO+H"	79.021207
"1010562"	429.274776	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+H"	83.060376
"1528688"	430.268408	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+IsoProp+Na+H"	84.054008
"996231"	215.141026	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+2ACN+2H"	84.067652
"1591826"	431.183028	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+HCOOH"	84.968628
"1422957"	461.214538	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+H+CF3COOH"	115.000138
"1153247"	235.654301	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+3ACN+2H"	125.094202
"1699514"	478.241085	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+NH4+CF3COOH"	132.026685
"1638449"	483.19648	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+Na+CF3COOH"	136.98208
"1582848"	499.17042	"C15365"	"4-Pregnene-16alpha21-diol-320-dione;16alpha21-Dihydroxypregn-4-ene-320-dione"	"C21H30O4"	"346.2144"	"M+K+CF3COOH"	152.95602
"803735"	299.1521	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M"	0
"976907"	280.13371	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-H2O-H"	-19.01839
"67336"	198.427457333333	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M-3H"	-3.021828
"506164"	298.144824	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M-3H"	-3.021828
"887978"	98.7100906666667	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-3H"	-3.021828
"12021"	298.144824	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M-2H"	-2.014552
"454619"	447.720874	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M-2H"	-2.014552
"828287"	148.568774	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-2H"	-2.014552
"86095"	597.296924	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M-H"	-1.007276
"522008"	896.449024	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M-H"	-1.007276
"902367"	298.144824	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-H"	-1.007276
"57836"	614.323471	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M-2H+NH4"	16.019271
"495209"	913.475571	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M-2H+NH4"	16.019271
"875198"	315.171371	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-2H+NH4"	16.019271
"36901"	619.278866	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M-2H+Na"	20.974666
"482660"	918.430966	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M-2H+Na"	20.974666
"861558"	320.126766	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-2H+Na"	20.974666
"1621256"	320.126766	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Na-2H"	20.974666
"108356"	316.133163	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M-H+Cl"	33.962126
"544998"	465.709213	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M-H+Cl"	33.962126
"940700"	166.557113	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-H+Cl"	33.962126
"279986"	633.273602	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+Cl"	34.969402
"669490"	932.425702	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+Cl"	34.969402
"1277519"	334.121502	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Cl"	34.969402
"16428"	635.252806	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M-2H+K"	36.948606
"456595"	934.404906	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M-2H+K"	36.948606
"833140"	336.100706	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-2H+K"	36.948606
"1558734"	336.100706	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+K-2H"	36.948606
"942987"	344.150294	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-H+HCOOH"	44.998194
"374689"	643.302401	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+HCOOH-H"	44.998201
"359308"	657.318051	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+Hac-H"	59.013851
"1505587"	358.165951	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Hac-H"	59.013851
"971669"	366.132251	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-H+NaCOOH"	66.980151
"124590"	334.121502	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+2Cl"	69.938804
"562691"	483.697552	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+2Cl"	69.938804
"1036232"	184.545452	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2Cl"	69.938804
"1255443"	378.070985	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Br"	78.918885
"1318990"	380.126972	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Cl+HCOOH"	80.974872
"1333565"	402.108929	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Cl+NaCOOH"	102.956829
"925719"	412.137686	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M-H+CF3COOH"	112.985586
"1297320"	448.114364	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Cl+CF3COOH"	148.962264
"1382419"	264.139424	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H-2H2O"	-35.012676
"1395537"	282.1494	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H-H2O"	-17.0027
"293034"	599.311476	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+H"	1.007276
"686184"	898.463576	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+H"	1.007276
"1359617"	300.159376	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H"	1.007276
"132141"	300.159376	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+2H"	2.014552
"574981"	449.735426	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+2H"	2.014552
"1045967"	150.583326	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2H"	2.014552
"210587"	200.442009333333	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+3H"	3.021828
"651242"	300.159376	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+3H"	3.021828
"1170459"	100.724642666667	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+3H"	3.021828
"434825"	616.338023	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+NH4"	18.033823
"794729"	915.490123	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+NH4"	18.033823
"1689965"	317.185923	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+NH4"	18.033823
"333869"	308.6726495	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+H+NH4"	19.041099
"727386"	458.2486995	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+H+NH4"	19.041099
"1479382"	159.0965995	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H+NH4"	19.041099
"398791"	621.293418	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+Na"	22.989218
"757600"	920.445518	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+Na"	22.989218
"1610078"	322.141318	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Na"	22.989218
"329607"	311.150347	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+H+Na"	23.996494
"721293"	460.726397	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+H+Na"	23.996494
"1474016"	161.574297	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H+Na"	23.996494
"1065074"	108.051956666667	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2H+Na"	25.00377
"1271127"	332.185586	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+CH3OH+H"	33.033486
"390797"	637.267358	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+K"	38.963158
"748512"	936.419458	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+K"	38.963158
"1547283"	338.115258	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+K"	38.963158
"308833"	319.137317	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+H+K"	39.970434
"699067"	468.713367	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+H+K"	39.970434
"1455075"	169.561267	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H+K"	39.970434
"246958"	640.338026	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+ACN+H"	42.033826
"1218572"	341.185926	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+ACN+H"	42.033826
"1206832"	171.096601	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+ACN+2H"	43.041102
"198608"	643.27536	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+2Na-H"	44.97116
"635984"	942.42746	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+2Na-H"	44.97116
"1140583"	344.12326	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2Na-H"	44.97116
"176947"	322.141318	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+2Na"	45.978436
"615776"	471.717368	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+2Na"	45.978436
"1120741"	172.565268	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2Na"	45.978436
"1400376"	115.379270666667	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H+2Na"	46.985712
"1432006"	346.164846	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H+HCOOH"	47.012746
"221331"	327.17434	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+3H2O+2H"	56.04448
"1510496"	360.21689	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+IsoProp+H"	61.06479
"413465"	330.128288	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+Na+K"	61.952376
"782856"	479.704338	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+Na+K"	61.952376
"1680279"	180.552238	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Na+K"	61.952376
"266070"	662.319968	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+ACN+Na"	64.015768
"1240606"	363.167868	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+ACN+Na"	64.015768
"1727184"	363.191393	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+NH4+HCOOH"	64.039293
"1188646"	122.706584666667	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+3Na"	68.967654
"1653436"	368.146788	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Na+HCOOH"	68.994688
"164307"	675.22324	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+2K-H"	76.91904
"604961"	974.37534	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+2K-H"	76.91904
"1090566"	376.07114	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2K-H"	76.91904
"147385"	338.115258	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"2M+2K"	77.926316
"586945"	487.691308	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"3M+2K"	77.926316
"1074736"	188.539208	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2K"	77.926316
"1106854"	378.085692	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2K+H"	78.933592
"1342144"	378.173307	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+DMSO+H"	79.021207
"1009943"	382.212476	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2ACN+H"	83.060376
"1530984"	383.206108	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+IsoProp+Na+H"	84.054008
"995245"	191.609876	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+2ACN+2H"	84.067652
"1591938"	384.120728	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+K+HCOOH"	84.968628
"1417598"	414.152238	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+H+CF3COOH"	115.000138
"1153354"	212.123151	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+3ACN+2H"	125.094202
"1699622"	431.178785	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+NH4+CF3COOH"	132.026685
"1638559"	436.13418	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+Na+CF3COOH"	136.98208
"1579678"	452.10812	"C15366"	"Estrone 16-oxime;3-Hydroxyestra-135(10)-triene-1617-dione 16-oxime"	"C18H21NO3"	"299.1521"	"M+K+CF3COOH"	152.95602
"802387"	304.2402	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M"	0
"980296"	285.22181	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"69632"	201.819524	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"511377"	303.232924	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"888088"	100.406124	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"15577"	303.232924	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"454607"	455.353024	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"828397"	151.112824	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"87298"	607.473124	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"523577"	911.713324	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"905756"	303.232924	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"60132"	624.499671	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"497505"	928.739871	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"878587"	320.259471	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"37011"	629.455066	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"483863"	933.695266	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"860574"	325.214866	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1623553"	325.214866	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"107738"	321.221263	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"547294"	473.341363	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"940446"	169.101163	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"281190"	643.449802	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"670693"	947.690002	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1277629"	339.209602	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"17997"	645.429006	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"459742"	949.669206	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"835357"	341.188806	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1559938"	341.188806	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"945637"	349.238394	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"374799"	653.478601	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"359417"	667.494251	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1506063"	363.254051	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"971777"	371.220351	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"122869"	339.209602	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"562433"	491.329702	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1036222"	187.089502	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1255553"	383.159085	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1319663"	385.215072	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1333310"	407.197029	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"925097"	417.225786	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1300712"	453.202464	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1376324"	269.227524	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1388716"	287.2375	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"292780"	609.487676	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"683378"	913.727876	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1362643"	305.247476	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"132251"	305.247476	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"574363"	457.367576	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1045713"	153.127376	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"210697"	203.834076	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"651352"	305.247476	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1170569"	102.420676	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"432748"	626.514223	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"792648"	930.754423	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1686426"	322.274023	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"334343"	313.7607495	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"727496"	465.8808495	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1482408"	161.6406495	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"397808"	631.469618	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"756979"	935.709818	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1611281"	327.229418	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"329555"	316.238447	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"719213"	468.358547	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1473033"	164.118347	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1066277"	109.74799	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1269780"	337.273686	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"386534"	647.443558	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"744247"	951.683758	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1546300"	343.203358	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"306755"	324.225417	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"694438"	476.345517	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1452998"	172.105317	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"247067"	650.514226	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1218682"	346.274026	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1205847"	173.640651	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"199811"	653.45156	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"632814"	957.69176	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1138506"	349.21136	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"174869"	327.229418	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"615886"	479.349518	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1123767"	175.109318	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1402553"	117.075304	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1433940"	351.252946	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"221324"	332.26244	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1510242"	365.30499	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"411387"	335.216388	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"780775"	487.336488	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1678566"	183.096288	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"264722"	672.496168	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1240838"	368.255968	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1728268"	368.279493	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1188392"	124.402618	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1654275"	373.234888	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"162230"	685.39944	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"605070"	989.63964	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1090676"	381.15924	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"148587"	343.203358	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"588148"	495.323458	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1074846"	191.083258	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1109150"	383.173792	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1343347"	383.261407	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1008595"	387.300576	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1528907"	388.294208	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"996448"	194.153926	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1593142"	389.208828	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1418801"	419.240338	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1153464"	214.667201	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1698639"	436.266885	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1641949"	441.22228	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1579788"	457.19622	"C15367"	"3beta-Methoxyandrost-5-en-16beta-ol"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"801768"	350.2457	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M"	0
"979313"	331.22731	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-H2O-H"	-19.01839
"67556"	232.489857333333	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M-3H"	-3.021828
"509300"	349.238424	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M-3H"	-3.021828
"884918"	115.741290666667	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-3H"	-3.021828
"11878"	349.238424	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H"	-2.014552
"453260"	524.361274	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H"	-2.014552
"825227"	174.115574	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H"	-2.014552
"86315"	699.484124	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M-H"	-1.007276
"521501"	1049.729824	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M-H"	-1.007276
"903680"	349.238424	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-H"	-1.007276
"58056"	716.510671	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H+NH4"	16.019271
"495429"	1066.756371	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H+NH4"	16.019271
"873960"	366.264971	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H+NH4"	16.019271
"34933"	721.466066	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H+Na"	20.974666
"481787"	1071.711766	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H+Na"	20.974666
"860685"	371.220366	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H+Na"	20.974666
"1624750"	371.220366	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na-2H"	20.974666
"108211"	367.226763	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M-H+Cl"	33.962126
"545222"	542.349613	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M-H+Cl"	33.962126
"936549"	192.103913	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+Cl"	33.962126
"280205"	735.460802	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Cl"	34.969402
"669710"	1085.706502	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+Cl"	34.969402
"1277740"	385.215102	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl"	34.969402
"16240"	737.440006	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M-2H+K"	36.948606
"456043"	1087.685706	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M-2H+K"	36.948606
"835835"	387.194306	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-2H+K"	36.948606
"1557867"	387.194306	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+K-2H"	36.948606
"943318"	395.243894	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+HCOOH"	44.998194
"376008"	745.489601	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+HCOOH-H"	44.998201
"360258"	759.505251	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Hac-H"	59.013851
"1506538"	409.259551	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Hac-H"	59.013851
"973347"	417.225851	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+NaCOOH"	66.980151
"124080"	385.215102	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2Cl"	69.938804
"563640"	560.337952	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2Cl"	69.938804
"1036981"	210.092252	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2Cl"	69.938804
"1256517"	429.164585	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Br"	78.918885
"1319695"	431.220572	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl+HCOOH"	80.974872
"1330869"	453.202529	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl+NaCOOH"	102.956829
"923383"	463.231286	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M-H+CF3COOH"	112.985586
"1301550"	499.207964	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Cl+CF3COOH"	148.962264
"1382028"	315.233024	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H-2H2O"	-35.012676
"1393203"	333.243	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H-H2O"	-17.0027
"293985"	701.498676	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H"	1.007276
"687864"	1051.744376	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H"	1.007276
"1361296"	351.252976	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H"	1.007276
"131268"	351.252976	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2H"	2.014552
"574473"	526.375826	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2H"	2.014552
"1046187"	176.130126	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2H"	2.014552
"210807"	234.504409333333	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+3H"	3.021828
"651462"	351.252976	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+3H"	3.021828
"1170679"	117.755842666667	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+3H"	3.021828
"432858"	718.525223	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+NH4"	18.033823
"791665"	1068.770923	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+NH4"	18.033823
"1686901"	368.279523	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+NH4"	18.033823
"334089"	359.7662495	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H+NH4"	19.041099
"730886"	534.8890995	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H+NH4"	19.041099
"1481426"	184.6433995	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+NH4"	19.041099
"396825"	723.480618	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Na"	22.989218
"757090"	1073.726318	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+Na"	22.989218
"1615766"	373.234918	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na"	22.989218
"327994"	362.243947	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H+Na"	23.996494
"717136"	537.366797	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H+Na"	23.996494
"1469862"	187.121097	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+Na"	23.996494
"1065294"	125.083156666667	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2H+Na"	25.00377
"1265878"	383.279186	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+CH3OH+H"	33.033486
"384456"	739.454558	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+K"	38.963158
"742169"	1089.700258	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+K"	38.963158
"1544224"	389.208858	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+K"	38.963158
"305772"	370.230917	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+H+K"	39.970434
"694912"	545.353767	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+H+K"	39.970434
"1450921"	195.108067	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+K"	39.970434
"241709"	742.525226	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+ACN+H"	42.033826
"1213688"	392.279526	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+ACN+H"	42.033826
"1200488"	196.643401	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+ACN+2H"	43.041102
"192266"	745.46256	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2Na-H"	44.97116
"635110"	1095.70826	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2Na-H"	44.97116
"1137521"	395.21686	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2Na-H"	44.97116
"174609"	373.234918	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2Na"	45.978436
"614660"	548.357768	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2Na"	45.978436
"1117680"	198.112068	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2Na"	45.978436
"1398652"	132.410470666667	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+2Na"	46.985712
"1437331"	397.258446	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+HCOOH"	47.012746
"223746"	378.26794	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+3H2O+2H"	56.04448
"1509988"	411.31049	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+IsoProp+H"	61.06479
"414049"	381.221888	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+Na+K"	61.952376
"781977"	556.344738	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+Na+K"	61.952376
"1677582"	206.099038	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na+K"	61.952376
"264832"	764.507168	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+ACN+Na"	64.015768
"1240583"	414.261468	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+ACN+Na"	64.015768
"1728092"	414.284993	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+NH4+HCOOH"	64.039293
"1188502"	139.737784666667	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+3Na"	68.967654
"1654386"	419.240388	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na+HCOOH"	68.994688
"162340"	777.41044	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2K-H"	76.91904
"602993"	1127.65614	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2K-H"	76.91904
"1091878"	427.16474	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2K-H"	76.91904
"148697"	389.208858	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"2M+2K"	77.926316
"589351"	564.331708	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"3M+2K"	77.926316
"1074956"	214.086008	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2K"	77.926316
"1108167"	429.179292	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2K+H"	78.933592
"1342362"	429.266907	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+DMSO+H"	79.021207
"1007608"	433.306076	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2ACN+H"	83.060376
"1529016"	434.299708	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+IsoProp+Na+H"	84.054008
"993278"	217.156676	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+2ACN+2H"	84.067652
"1593251"	435.214328	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+K+HCOOH"	84.968628
"1418911"	465.245838	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+H+CF3COOH"	115.000138
"1153574"	237.669951	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+3ACN+2H"	125.094202
"1699842"	482.272385	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+NH4+CF3COOH"	132.026685
"1642059"	487.22778	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+Na+CF3COOH"	136.98208
"1579898"	503.20172	"C15368"	"5beta-Pregnane-3alpha17alpha20alpha-triol-11-one;Pregnanetriolone;(3alpha5beta20S)-31720-Trihydroxypregnan-11-one"	"C21H34O4"	"350.2457"	"M+K+CF3COOH"	152.95602
"801714"	362.2257	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M"	0
"975050"	343.20731	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"67663"	240.476524	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"511597"	361.218424	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"885026"	119.734624	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"11259"	361.218424	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"451913"	542.331274	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"825340"	180.105574	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"83145"	723.444124	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"529267"	1085.669824	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"903790"	361.218424	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"58166"	740.470671	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"496632"	1102.696371	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"873341"	378.244971	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"41243"	745.426066	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"484085"	1107.651766	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"861888"	383.200366	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1633613"	383.200366	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"106863"	379.206763	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"547518"	560.319613	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"939940"	198.093913	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"280317"	759.420802	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"673467"	1121.646502	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1283317"	397.195102	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"16315"	761.400006	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"457779"	1123.625706	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"834853"	399.174306	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1560163"	399.174306	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"945492"	407.223894	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"376446"	769.449601	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"360004"	783.465251	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1506649"	421.239551	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"971998"	429.205851	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"125697"	397.195102	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"564481"	578.307952	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1036808"	216.082252	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1256262"	441.144585	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1319075"	443.200572	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1333531"	465.182529	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"924225"	475.211286	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1299836"	511.187964	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1381287"	327.213024	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1391126"	345.223	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"294095"	725.458676	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"690528"	1087.684376	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1362138"	363.232976	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"136119"	363.232976	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"575679"	544.345826	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1048488"	182.120126	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"214929"	242.491076	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"655585"	363.232976	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1175896"	121.749176	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"435524"	742.485223	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"797246"	1104.710923	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1693580"	380.259523	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"340397"	371.7462495	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"729903"	552.8590995	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1486640"	190.6333995	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"403862"	747.440618	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"762671"	1109.666318	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1615875"	385.214918	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"320449"	374.223947	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"713967"	555.336797	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1465233"	193.111097	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1055199"	129.07649	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1265991"	395.259186	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"384567"	763.414558	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"747750"	1125.640258	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1545430"	401.188858	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"310259"	382.210917	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"700493"	563.323767	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1452126"	201.098067	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"245102"	766.485226	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1221090"	404.259526	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1203880"	202.633401	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"198938"	769.42256	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"636314"	1131.64826	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1138725"	407.19686	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"174480"	385.214918	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"614892"	566.327768	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1122896"	204.102068	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1399613"	136.403804	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1430395"	409.238446	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"228233"	390.24794	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1512286"	423.29049	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"415983"	393.201888	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"776982"	574.314738	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1675864"	212.089038	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"259833"	788.467168	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1235827"	426.241468	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1726539"	426.264993	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1188611"	143.731118	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1661054"	431.220388	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"170103"	801.37044	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"606383"	1163.59614	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1089802"	439.14474	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"143700"	401.188858	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"583261"	582.301708	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1071783"	220.076008	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1103535"	441.159292	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1340286"	441.246907	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1008085"	445.286076	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1529127"	446.279708	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"994482"	223.146676	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1592266"	447.194328	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1419021"	477.225838	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1148212"	243.659951	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1697112"	494.252385	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1642169"	499.20778	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1580008"	515.18172	"C15369"	"9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-320-dione;9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"807091"	373.2406	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M"	0
"975160"	354.22221	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-H2O-H"	-19.01839
"67775"	247.819790666667	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M-3H"	-3.021828
"514988"	372.233324	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M-3H"	-3.021828
"890605"	123.406257333333	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-3H"	-3.021828
"12463"	372.233324	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M-2H"	-2.014552
"453848"	558.853624	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M-2H"	-2.014552
"830554"	185.613024	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-2H"	-2.014552
"88724"	745.473924	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M-H"	-1.007276
"531564"	1118.714524	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M-H"	-1.007276
"902807"	372.233324	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-H"	-1.007276
"54994"	762.500471	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M-2H+NH4"	16.019271
"494555"	1135.741071	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M-2H+NH4"	16.019271
"874180"	389.259871	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-2H+NH4"	16.019271
"41353"	767.455866	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M-2H+Na"	20.974666
"483832"	1140.696466	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M-2H+Na"	20.974666
"862004"	394.215266	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-2H+Na"	20.974666
"1632625"	394.215266	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Na-2H"	20.974666
"106970"	390.221663	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M-H+Cl"	33.962126
"544346"	576.841963	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M-H+Cl"	33.962126
"934582"	203.601363	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-H+Cl"	33.962126
"272043"	781.450602	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+Cl"	34.969402
"664463"	1154.691202	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+Cl"	34.969402
"1274679"	408.210002	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Cl"	34.969402
"16138"	783.429806	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M-2H+K"	36.948606
"455941"	1156.670406	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M-2H+K"	36.948606
"833869"	410.189206	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-2H+K"	36.948606
"1561366"	410.189206	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+K-2H"	36.948606
"944875"	418.238794	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-H+HCOOH"	44.998194
"367472"	791.479401	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+HCOOH-H"	44.998201
"357921"	805.495051	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+Hac-H"	59.013851
"1507485"	432.254451	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Hac-H"	59.013851
"969921"	440.220751	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-H+NaCOOH"	66.980151
"124302"	408.210002	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+2Cl"	69.938804
"565325"	594.830302	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+2Cl"	69.938804
"1036555"	221.589702	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2Cl"	69.938804
"1256247"	452.159485	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Br"	78.918885
"1318701"	454.215472	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Cl+HCOOH"	80.974872
"1334007"	476.197429	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Cl+NaCOOH"	102.956829
"926403"	486.226186	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M-H+CF3COOH"	112.985586
"1303109"	522.202864	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Cl+CF3COOH"	148.962264
"1380665"	338.227924	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H-2H2O"	-35.012676
"1390140"	356.2379	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H-H2O"	-17.0027
"296756"	747.488476	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+H"	1.007276
"690153"	1120.729076	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+H"	1.007276
"1361518"	374.247876	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H"	1.007276
"136229"	374.247876	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+2H"	2.014552
"578705"	560.868176	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+2H"	2.014552
"1047869"	187.627576	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2H"	2.014552
"216498"	249.834342666667	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+3H"	3.021828
"657761"	374.247876	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+3H"	3.021828
"1174914"	125.420809333333	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+3H"	3.021828
"437455"	764.515023	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+NH4"	18.033823
"798449"	1137.755623	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+NH4"	18.033823
"1692591"	391.274423	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+NH4"	18.033823
"341601"	382.7611495	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+H+NH4"	19.041099
"734754"	569.3814495	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+H+NH4"	19.041099
"1483834"	196.1408495	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H+NH4"	19.041099
"402879"	769.470418	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+Na"	22.989218
"760228"	1142.711018	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+Na"	22.989218
"1614892"	396.229818	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Na"	22.989218
"320559"	385.238847	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+H+Na"	23.996494
"718451"	571.859147	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+H+Na"	23.996494
"1471178"	198.618547	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H+Na"	23.996494
"1061142"	132.748123333333	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2H+Na"	25.00377
"1266102"	406.274086	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+CH3OH+H"	33.033486
"382490"	785.444358	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+K"	38.963158
"743851"	1158.684958	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+K"	38.963158
"1552466"	412.203758	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+K"	38.963158
"308182"	393.225817	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+H+K"	39.970434
"704613"	579.846117	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+H+K"	39.970434
"1458799"	206.605517	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H+K"	39.970434
"248495"	788.515026	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+ACN+H"	42.033826
"1223390"	415.274426	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+ACN+H"	42.033826
"1205083"	208.140851	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+ACN+2H"	43.041102
"199047"	791.45236	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+2Na-H"	44.97116
"636423"	1164.69296	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+2Na-H"	44.97116
"1137741"	418.21176	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2Na-H"	44.97116
"178845"	396.229818	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+2Na"	45.978436
"617312"	582.850118	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+2Na"	45.978436
"1119726"	209.609518	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2Na"	45.978436
"1403250"	140.075437333333	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H+2Na"	46.985712
"1433180"	420.253346	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H+HCOOH"	47.012746
"223969"	401.26284	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+3H2O+2H"	56.04448
"1515313"	434.30539	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+IsoProp+H"	61.06479
"418282"	404.216788	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+Na+K"	61.952376
"777091"	590.837088	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+Na+K"	61.952376
"1673422"	217.596488	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Na+K"	61.952376
"258850"	810.496968	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+ACN+Na"	64.015768
"1239463"	437.256368	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+ACN+Na"	64.015768
"1722273"	437.279893	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+NH4+HCOOH"	64.039293
"1184713"	147.402751333333	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+3Na"	68.967654
"1662261"	442.235288	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Na+HCOOH"	68.994688
"165840"	823.40024	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+2K-H"	76.91904
"608680"	1196.64084	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+2K-H"	76.91904
"1091006"	450.15964	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2K-H"	76.91904
"145633"	412.203758	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"2M+2K"	77.926316
"585194"	598.824058	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"3M+2K"	77.926316
"1076271"	225.583458	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2K"	77.926316
"1105104"	452.174192	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2K+H"	78.933592
"1341491"	452.261807	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+DMSO+H"	79.021207
"1011113"	456.300976	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2ACN+H"	83.060376
"1529238"	457.294608	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+IsoProp+Na+H"	84.054008
"995685"	228.654126	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+2ACN+2H"	84.067652
"1594564"	458.209228	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+K+HCOOH"	84.968628
"1423503"	488.240738	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+H+CF3COOH"	115.000138
"1159259"	249.167401	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+3ACN+2H"	125.094202
"1697041"	505.267285	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+NH4+CF3COOH"	132.026685
"1635714"	510.22268	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+Na+CF3COOH"	136.98208
"1580118"	526.19662	"C15370"	"Androsta-516-dieno1716-bquinolin-3beta-ol;1617-(32-Quinolino)androst-5-en-3beta-ol"	"C26H31NO"	"373.2406"	"M+K+CF3COOH"	152.95602
"802219"	394.1144	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M"	0
"978549"	375.09601	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-H2O-H"	-19.01839
"73352"	261.735657333333	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M-3H"	-3.021828
"509632"	393.107124	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M-3H"	-3.021828
"887433"	130.364190666667	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-3H"	-3.021828
"6012"	393.107124	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M-2H"	-2.014552
"449947"	590.164324	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M-2H"	-2.014552
"827750"	196.049924	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-2H"	-2.014552
"91871"	787.221524	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M-H"	-1.007276
"529487"	1181.335924	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M-H"	-1.007276
"901823"	393.107124	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-H"	-1.007276
"55104"	804.248071	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M-2H+NH4"	16.019271
"495758"	1198.362471	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M-2H+NH4"	16.019271
"875748"	410.133671	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-2H+NH4"	16.019271
"41463"	809.203466	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M-2H+Na"	20.974666
"482119"	1203.317866	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M-2H+Na"	20.974666
"863205"	415.089066	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-2H+Na"	20.974666
"1633103"	415.089066	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Na-2H"	20.974666
"107082"	411.095463	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M-H+Cl"	33.962126
"542270"	608.152663	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M-H+Cl"	33.962126
"937970"	214.038263	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-H+Cl"	33.962126
"276528"	823.198202	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+Cl"	34.969402
"670042"	1217.312602	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+Cl"	34.969402
"1279162"	429.083802	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Cl"	34.969402
"16248"	825.177406	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M-2H+K"	36.948606
"456054"	1219.291806	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M-2H+K"	36.948606
"833857"	431.063006	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-2H+K"	36.948606
"1558196"	431.063006	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+K-2H"	36.948606
"946079"	439.112594	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-H+HCOOH"	44.998194
"370861"	833.227001	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+HCOOH-H"	44.998201
"359488"	847.242651	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+Hac-H"	59.013851
"1506864"	453.128251	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Hac-H"	59.013851
"970395"	461.094551	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-H+NaCOOH"	66.980151
"124047"	429.083802	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+2Cl"	69.938804
"564462"	626.141002	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+2Cl"	69.938804
"1035326"	232.026602	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2Cl"	69.938804
"1255270"	473.033285	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Br"	78.918885
"1318084"	475.089272	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Cl+HCOOH"	80.974872
"1332665"	497.071229	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Cl+NaCOOH"	102.956829
"926271"	507.099986	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M-H+CF3COOH"	112.985586
"1303706"	543.076664	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Cl+CF3COOH"	148.962264
"1380775"	359.101724	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H-2H2O"	-35.012676
"1390252"	377.1117	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H-H2O"	-17.0027
"296504"	789.236076	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+H"	1.007276
"685644"	1183.350476	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+H"	1.007276
"1361992"	395.121676	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H"	1.007276
"135610"	395.121676	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+2H"	2.014552
"577721"	592.178876	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+2H"	2.014552
"1048707"	198.064476	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2H"	2.014552
"215514"	263.750209333333	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+3H"	3.021828
"658598"	395.121676	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+3H"	3.021828
"1174291"	132.378742666667	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+3H"	3.021828
"435376"	806.262623	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+NH4"	18.033823
"796738"	1200.377023	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+NH4"	18.033823
"1692703"	412.148223	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+NH4"	18.033823
"340981"	403.6349495	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+H+NH4"	19.041099
"730123"	600.6921495	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+H+NH4"	19.041099
"1487225"	206.5777495	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H+NH4"	19.041099
"401529"	811.218018	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+Na"	22.989218
"755963"	1205.332418	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+Na"	22.989218
"1612815"	417.103618	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Na"	22.989218
"319575"	406.112647	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+H+Na"	23.996494
"720748"	603.169847	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+H+Na"	23.996494
"1466912"	209.055447	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H+Na"	23.996494
"1057972"	139.706056666667	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2H+Na"	25.00377
"1262930"	427.147886	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+CH3OH+H"	33.033486
"382600"	827.191958	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+K"	38.963158
"744689"	1221.306358	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+K"	38.963158
"1551116"	433.077558	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+K"	38.963158
"307198"	414.099617	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+H+K"	39.970434
"702900"	611.156817	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+H+K"	39.970434
"1454532"	217.042417	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H+K"	39.970434
"248602"	830.262626	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+ACN+H"	42.033826
"1220221"	436.148226	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+ACN+H"	42.033826
"1206292"	218.577751	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+ACN+2H"	43.041102
"200251"	833.19996	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+2Na-H"	44.97116
"638719"	1227.31436	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+2Na-H"	44.97116
"1137851"	439.08556	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2Na-H"	44.97116
"180048"	417.103618	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+2Na"	45.978436
"613166"	614.160818	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+2Na"	45.978436
"1116797"	220.046418	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2Na"	45.978436
"1400081"	147.033370666667	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H+2Na"	46.985712
"1432195"	441.127146	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H+HCOOH"	47.012746
"222987"	422.13664	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+3H2O+2H"	56.04448
"1516518"	455.17919	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+IsoProp+H"	61.06479
"421309"	425.090588	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+Na+K"	61.952376
"782670"	622.147788	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+Na+K"	61.952376
"1678273"	228.033388	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Na+K"	61.952376
"261146"	852.244568	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+ACN+Na"	64.015768
"1234953"	458.130168	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+ACN+Na"	64.015768
"1722747"	458.153693	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+NH4+HCOOH"	64.039293
"1184821"	154.360684666667	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+3Na"	68.967654
"1653623"	463.109088	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Na+HCOOH"	68.994688
"159754"	865.14784	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+2K-H"	76.91904
"603324"	1259.26224	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+2K-H"	76.91904
"1087836"	471.03344	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2K-H"	76.91904
"147932"	433.077558	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"2M+2K"	77.926316
"586398"	630.134758	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"3M+2K"	77.926316
"1074192"	236.020358	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2K"	77.926316
"1109592"	473.047992	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2K+H"	78.933592
"1343788"	473.135607	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+DMSO+H"	79.021207
"1014505"	477.174776	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2ACN+H"	83.060376
"1527160"	478.168408	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+IsoProp+Na+H"	84.054008
"995795"	239.091026	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+2ACN+2H"	84.067652
"1594673"	479.083028	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+K+HCOOH"	84.968628
"1420336"	509.114538	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+H+CF3COOH"	115.000138
"1153905"	259.604301	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+3ACN+2H"	125.094202
"1701266"	526.141085	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+NH4+CF3COOH"	132.026685
"1635824"	531.09648	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+Na+CF3COOH"	136.98208
"1580228"	547.07042	"C15371"	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27BrO3"	"394.1144"	"M+K+CF3COOH"	152.95602
"801844"	388.225	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M"	0
"976473"	369.20661	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H2O-H"	-19.01839
"66902"	257.809390666667	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-3H"	-3.021828
"514116"	387.217724	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-3H"	-3.021828
"888636"	128.401057333333	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-3H"	-3.021828
"9401"	387.217724	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H"	-2.014552
"450057"	581.330224	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H"	-2.014552
"822393"	193.105224	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H"	-2.014552
"93930"	775.442724	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-H"	-1.007276
"527410"	1163.667724	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-H"	-1.007276
"901933"	387.217724	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H"	-1.007276
"54121"	792.469271	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H+NH4"	16.019271
"495868"	1180.694271	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H+NH4"	16.019271
"876951"	404.244271	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H+NH4"	16.019271
"40480"	797.424666	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H+Na"	20.974666
"481136"	1185.649666	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H+Na"	20.974666
"863314"	409.199666	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H+Na"	20.974666
"1632848"	409.199666	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na-2H"	20.974666
"107192"	405.206063	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-H+Cl"	33.962126
"546753"	599.318563	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-H+Cl"	33.962126
"940267"	211.093563	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+Cl"	33.962126
"276638"	811.419402	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Cl"	34.969402
"666872"	1199.644402	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+Cl"	34.969402
"1284739"	423.194402	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl"	34.969402
"20739"	813.398606	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M-2H+K"	36.948606
"460298"	1201.623606	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M-2H+K"	36.948606
"836276"	425.173606	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-2H+K"	36.948606
"1560493"	425.173606	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K-2H"	36.948606
"949470"	433.223194	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+HCOOH"	44.998194
"370971"	821.448201	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+HCOOH-H"	44.998201
"358992"	835.463851	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Hac-H"	59.013851
"1506980"	447.238851	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Hac-H"	59.013851
"972330"	455.205151	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+NaCOOH"	66.980151
"123792"	423.194402	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2Cl"	69.938804
"564815"	617.306902	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2Cl"	69.938804
"1036897"	229.081902	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2Cl"	69.938804
"1256482"	467.143885	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Br"	78.918885
"1319766"	469.199872	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl+HCOOH"	80.974872
"1335528"	491.181829	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl+NaCOOH"	102.956829
"926891"	501.210586	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M-H+CF3COOH"	112.985586
"1301629"	537.187264	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Cl+CF3COOH"	148.962264
"1381249"	353.212324	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H-2H2O"	-35.012676
"1391455"	371.2223	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H-H2O"	-17.0027
"295519"	777.457276	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H"	1.007276
"689763"	1165.682276	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H"	1.007276
"1362102"	389.232276	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H"	1.007276
"133898"	389.232276	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2H"	2.014552
"576740"	583.344776	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2H"	2.014552
"1049546"	195.119776	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2H"	2.014552
"217086"	259.823942666667	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+3H"	3.021828
"657007"	389.232276	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+3H"	3.021828
"1176224"	130.415609333333	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+3H"	3.021828
"438038"	794.483823	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+NH4"	18.033823
"797212"	1182.708823	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+NH4"	18.033823
"1691720"	406.258823	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+NH4"	18.033823
"338905"	397.7455495	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H+NH4"	19.041099
"730233"	591.8580495	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H+NH4"	19.041099
"1487335"	203.6330495	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+NH4"	19.041099
"401639"	799.439218	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Na"	22.989218
"758261"	1187.664218	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+Na"	22.989218
"1617988"	411.214218	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na"	22.989218
"325152"	400.223247	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H+Na"	23.996494
"715386"	594.335747	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H+Na"	23.996494
"1475773"	206.110747	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+Na"	23.996494
"1065737"	137.742923333333	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2H+Na"	25.00377
"1268510"	421.258486	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+CH3OH+H"	33.033486
"387085"	815.413158	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+K"	38.963158
"748081"	1203.638158	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+K"	38.963158
"1551227"	427.188158	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K"	38.963158
"308400"	408.210217	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+H+K"	39.970434
"705197"	602.322717	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+H+K"	39.970434
"1460112"	214.097717	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+K"	39.970434
"250178"	818.483826	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+ACN+H"	42.033826
"1223975"	430.258826	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+ACN+H"	42.033826
"1208584"	215.633051	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+ACN+2H"	43.041102
"201457"	821.42116	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2Na-H"	44.97116
"635551"	1209.64616	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2Na-H"	44.97116
"1142336"	433.19616	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2Na-H"	44.97116
"181252"	411.214218	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2Na"	45.978436
"621907"	605.326718	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2Na"	45.978436
"1119946"	217.101718	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2Na"	45.978436
"1408938"	145.070237333333	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+2Na"	46.985712
"1433398"	435.237746	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+HCOOH"	47.012746
"224190"	416.24724	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+3H2O+2H"	56.04448
"1521004"	449.28979	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+IsoProp+H"	61.06479
"419597"	419.201188	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+Na+K"	61.952376
"783510"	613.313688	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+Na+K"	61.952376
"1676925"	225.088688	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na+K"	61.952376
"264176"	840.465768	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+ACN+Na"	64.015768
"1232876"	452.240768	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+ACN+Na"	64.015768
"1720669"	452.264293	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+NH4+HCOOH"	64.039293
"1183837"	152.397551333333	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+3Na"	68.967654
"1659198"	457.219688	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na+HCOOH"	68.994688
"162781"	853.36904	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2K-H"	76.91904
"604528"	1241.59404	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2K-H"	76.91904
"1089039"	465.14404	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2K-H"	76.91904
"146949"	427.188158	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"2M+2K"	77.926316
"585417"	621.300658	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"3M+2K"	77.926316
"1074302"	233.075658	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2K"	77.926316
"1108609"	467.158592	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2K+H"	78.933592
"1340619"	467.246207	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+DMSO+H"	79.021207
"1014616"	471.285376	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2ACN+H"	83.060376
"1531644"	472.279008	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+IsoProp+Na+H"	84.054008
"992624"	236.146326	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+2ACN+2H"	84.067652
"1592596"	473.193628	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K+HCOOH"	84.968628
"1420444"	503.225138	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+H+CF3COOH"	115.000138
"1149638"	256.659601	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+3ACN+2H"	125.094202
"1700283"	520.251685	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+NH4+CF3COOH"	132.026685
"1635205"	525.20708	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+Na+CF3COOH"	136.98208
"1580338"	541.18102	"C15372"	"11alpha17beta-Dihydroxyandrost-4-en-3-one diacetate;11alpha-Hydroxytestosterone diacetate"	"C23H32O5"	"388.225"	"M+K+CF3COOH"	152.95602
"804144"	332.2715	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M"	0
"978768"	313.25311	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-H2O-H"	-19.01839
"73570"	220.507057333333	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M-3H"	-3.021828
"516047"	331.264224	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M-3H"	-3.021828
"890934"	109.749890666667	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-3H"	-3.021828
"11696"	331.264224	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M-2H"	-2.014552
"449070"	497.399974	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M-2H"	-2.014552
"827966"	165.128474	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-2H"	-2.014552
"87958"	663.535724	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M-H"	-1.007276
"524239"	995.807224	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M-H"	-1.007276
"900219"	331.264224	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-H"	-1.007276
"53137"	680.562271	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M-2H+NH4"	16.019271
"493792"	1012.833771	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M-2H+NH4"	16.019271
"873782"	348.290771	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-2H+NH4"	16.019271
"41685"	685.517666	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M-2H+Na"	20.974666
"482341"	1017.789166	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M-2H+Na"	20.974666
"862700"	353.246166	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-2H+Na"	20.974666
"1631870"	353.246166	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Na-2H"	20.974666
"108036"	349.252563	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M-H+Cl"	33.962126
"547594"	515.388313	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M-H+Cl"	33.962126
"940384"	183.116813	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-H+Cl"	33.962126
"281004"	699.512402	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+Cl"	34.969402
"668072"	1031.783902	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+Cl"	34.969402
"1278290"	367.240902	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Cl"	34.969402
"18052"	701.491606	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M-2H+K"	36.948606
"458948"	1033.763106	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M-2H+K"	36.948606
"835294"	369.220106	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-2H+K"	36.948606
"1561700"	369.220106	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+K-2H"	36.948606
"957612"	377.269694	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-H+HCOOH"	44.998194
"376078"	709.541201	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+HCOOH-H"	44.998201
"358506"	723.556851	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+Hac-H"	59.013851
"1506244"	391.285351	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Hac-H"	59.013851
"970991"	399.251651	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-H+NaCOOH"	66.980151
"124272"	367.240902	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+2Cl"	69.938804
"563467"	533.376652	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+2Cl"	69.938804
"1034088"	201.105152	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2Cl"	69.938804
"1254758"	411.190385	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Br"	78.918885
"1319394"	413.246372	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Cl+HCOOH"	80.974872
"1329233"	435.228329	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Cl+NaCOOH"	102.956829
"923211"	445.257086	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M-H+CF3COOH"	112.985586
"1303199"	481.233764	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Cl+CF3COOH"	148.962264
"1379540"	297.258824	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H-2H2O"	-35.012676
"1393754"	315.2688	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H-H2O"	-17.0027
"295627"	665.550276	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+H"	1.007276
"682581"	997.821776	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+H"	1.007276
"1355650"	333.278776	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H"	1.007276
"134006"	333.278776	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+2H"	2.014552
"579401"	499.414526	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+2H"	2.014552
"1047834"	167.143026	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2H"	2.014552
"215735"	222.521609333333	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+3H"	3.021828
"656387"	333.278776	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+3H"	3.021828
"1175969"	111.764442666667	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+3H"	3.021828
"438148"	682.576823	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+NH4"	18.033823
"797322"	1014.848323	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+NH4"	18.033823
"1688550"	350.305323	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+NH4"	18.033823
"333182"	341.7920495	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+H+NH4"	19.041099
"723779"	507.9277995	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+H+NH4"	19.041099
"1488538"	175.6562995	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H+NH4"	19.041099
"407222"	687.532218	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+Na"	22.989218
"769728"	1019.803718	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+Na"	22.989218
"1616322"	355.260718	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Na"	22.989218
"323073"	344.269747	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+H+Na"	23.996494
"716590"	510.405497	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+H+Na"	23.996494
"1467129"	178.133997	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H+Na"	23.996494
"1062566"	119.091756666667	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2H+Na"	25.00377
"1268618"	365.304986	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+CH3OH+H"	33.033486
"387193"	703.506158	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+K"	38.963158
"752564"	1035.777658	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+K"	38.963158
"1551336"	371.234658	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+K"	38.963158
"313373"	352.256717	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+H+K"	39.970434
"706037"	518.392467	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+H+K"	39.970434
"1458031"	186.120967	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H+K"	39.970434
"251011"	706.576826	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+ACN+H"	42.033826
"1225530"	374.305326	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+ACN+H"	42.033826
"1209184"	187.656301	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+ACN+2H"	43.041102
"203513"	709.51416	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+2Na-H"	44.97116
"636754"	1041.78566	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+2Na-H"	44.97116
"1143539"	377.24266	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2Na-H"	44.97116
"187196"	355.260718	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+2Na"	45.978436
"627849"	521.396468	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+2Na"	45.978436
"1128804"	189.124968	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2Na"	45.978436
"1410141"	126.419070666667	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H+2Na"	46.985712
"1444443"	379.284246	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H+HCOOH"	47.012746
"230860"	360.29374	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+3H2O+2H"	56.04448
"1522571"	393.33629	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+IsoProp+H"	61.06479
"421530"	363.247688	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+Na+K"	61.952376
"781799"	529.383438	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+Na+K"	61.952376
"1678860"	197.111938	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Na+K"	61.952376
"262465"	728.558768	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+ACN+Na"	64.015768
"1237362"	396.287268	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+ACN+Na"	64.015768
"1725154"	396.310793	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+NH4+HCOOH"	64.039293
"1190873"	133.746384666667	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+3Na"	68.967654
"1660401"	401.266188	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Na+HCOOH"	68.994688
"165077"	741.46204	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+2K-H"	76.91904
"600263"	1073.73354	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+2K-H"	76.91904
"1088056"	409.19054	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2K-H"	76.91904
"149246"	371.234658	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"2M+2K"	77.926316
"590994"	537.370408	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"3M+2K"	77.926316
"1083974"	205.098908	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2K"	77.926316
"1107621"	411.205092	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2K+H"	78.933592
"1345101"	411.292707	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+DMSO+H"	79.021207
"1018001"	415.331876	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2ACN+H"	83.060376
"1538073"	416.325508	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+IsoProp+Na+H"	84.054008
"998202"	208.169576	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+2ACN+2H"	84.067652
"1592704"	417.240128	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+K+HCOOH"	84.968628
"1420550"	447.271638	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+H+CF3COOH"	115.000138
"1149380"	228.682851	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+3ACN+2H"	125.094202
"1697837"	464.298185	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+NH4+CF3COOH"	132.026685
"1634951"	469.25358	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+Na+CF3COOH"	136.98208
"1580448"	485.22752	"C15373"	"5alpha-Androstan-17beta-ol propionate"	"C22H36O2"	"332.2715"	"M+K+CF3COOH"	152.95602
"803157"	358.2508	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M"	0
"975598"	339.23241	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-H2O-H"	-19.01839
"66025"	237.826590666667	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M-3H"	-3.021828
"509960"	357.243524	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M-3H"	-3.021828
"884482"	118.409657333333	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-3H"	-3.021828
"10712"	357.243524	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H"	-2.014552
"443713"	536.368924	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H"	-2.014552
"822609"	178.118124	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H"	-2.014552
"83695"	715.494324	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M-H"	-1.007276
"521069"	1073.745124	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M-H"	-1.007276
"897777"	357.243524	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-H"	-1.007276
"48261"	732.520871	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H+NH4"	16.019271
"487461"	1090.771671	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H+NH4"	16.019271
"868425"	374.270071	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H+NH4"	16.019271
"35234"	737.476266	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H+Na"	20.974666
"480264"	1095.727066	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H+Na"	20.974666
"862082"	379.225466	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H+Na"	20.974666
"1630521"	379.225466	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na-2H"	20.974666
"107783"	375.231863	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M-H+Cl"	33.962126
"547338"	554.357263	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M-H+Cl"	33.962126
"940491"	196.106463	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+Cl"	33.962126
"281596"	751.471002	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Cl"	34.969402
"667089"	1109.721802	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+Cl"	34.969402
"1280587"	393.220202	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl"	34.969402
"17678"	753.450206	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M-2H+K"	36.948606
"457234"	1111.701006	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M-2H+K"	36.948606
"833822"	395.199406	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-2H+K"	36.948606
"1562903"	395.199406	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+K-2H"	36.948606
"957721"	403.248994	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+HCOOH"	44.998194
"376301"	761.499801	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+HCOOH-H"	44.998201
"361205"	775.515451	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Hac-H"	59.013851
"1506842"	417.264651	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Hac-H"	59.013851
"970374"	425.230951	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+NaCOOH"	66.980151
"123290"	393.220202	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2Cl"	69.938804
"563580"	572.345602	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2Cl"	69.938804
"1036380"	214.094802	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2Cl"	69.938804
"1255231"	437.169685	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Br"	78.918885
"1316219"	439.225672	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl+HCOOH"	80.974872
"1329343"	461.207629	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl+NaCOOH"	102.956829
"921496"	471.236386	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M-H+CF3COOH"	112.985586
"1303310"	507.213064	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Cl+CF3COOH"	148.962264
"1379650"	323.238124	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H-2H2O"	-35.012676
"1396780"	341.2481	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H-H2O"	-17.0027
"292457"	717.508876	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H"	1.007276
"684877"	1075.759676	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H"	1.007276
"1357946"	359.258076	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H"	1.007276
"135208"	359.258076	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2H"	2.014552
"577687"	538.383476	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2H"	2.014552
"1049036"	180.132676	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2H"	2.014552
"214750"	239.841142666667	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+3H"	3.021828
"656497"	359.258076	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+3H"	3.021828
"1177172"	120.424209333333	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+3H"	3.021828
"434612"	734.535423	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+NH4"	18.033823
"792329"	1092.786223	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+NH4"	18.033823
"1683193"	376.284623	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+NH4"	18.033823
"332928"	367.7713495	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H+NH4"	19.041099
"723890"	546.8967495	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H+NH4"	19.041099
"1485368"	188.6459495	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+NH4"	19.041099
"405145"	739.490818	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Na"	22.989218
"765049"	1097.741618	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+Na"	22.989218
"1614245"	381.240018	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na"	22.989218
"319904"	370.249047	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H+Na"	23.996494
"716700"	549.374447	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H+Na"	23.996494
"1465053"	191.123647	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+Na"	23.996494
"1063770"	127.751523333333	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2H+Na"	25.00377
"1268728"	391.284286	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+CH3OH+H"	33.033486
"388396"	755.464758	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+K"	38.963158
"750487"	1113.715558	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+K"	38.963158
"1550352"	397.213958	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+K"	38.963158
"313847"	378.236017	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+H+K"	39.970434
"704323"	557.361417	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+H+K"	39.970434
"1459234"	199.110617	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+K"	39.970434
"250025"	758.535426	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+ACN+H"	42.033826
"1225247"	400.284626	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+ACN+H"	42.033826
"1208807"	200.645951	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+ACN+2H"	43.041102
"202406"	761.47276	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2Na-H"	44.97116
"634677"	1119.72356	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2Na-H"	44.97116
"1141463"	403.22196	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2Na-H"	44.97116
"185120"	381.240018	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2Na"	45.978436
"622127"	560.365418	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2Na"	45.978436
"1124539"	202.114618	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2Na"	45.978436
"1406971"	135.078837333333	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+2Na"	46.985712
"1440179"	405.263546	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+HCOOH"	47.012746
"227690"	386.27304	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+3H2O+2H"	56.04448
"1521950"	419.31559	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+IsoProp+H"	61.06479
"420911"	389.226988	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+Na+K"	61.952376
"784101"	568.352388	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+Na+K"	61.952376
"1678969"	210.101588	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na+K"	61.952376
"264761"	780.517368	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+ACN+Na"	64.015768
"1240023"	422.266568	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+ACN+Na"	64.015768
"1726722"	422.290093	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+NH4+HCOOH"	64.039293
"1193170"	142.406151333333	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+3Na"	68.967654
"1659419"	427.245488	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na+HCOOH"	68.994688
"164093"	793.42064	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2K-H"	76.91904
"601466"	1151.67144	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2K-H"	76.91904
"1089258"	435.16984	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2K-H"	76.91904
"147169"	397.213958	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"2M+2K"	77.926316
"587823"	576.339358	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"3M+2K"	77.926316
"1079989"	218.088558	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2K"	77.926316
"1109918"	437.184392	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2K+H"	78.933592
"1346304"	437.272007	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+DMSO+H"	79.021207
"1017018"	441.311176	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2ACN+H"	83.060376
"1535145"	442.304808	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+IsoProp+Na+H"	84.054008
"996125"	221.159226	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+2ACN+2H"	84.067652
"1589534"	443.219428	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+K+HCOOH"	84.968628
"1418471"	473.250938	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+H+CF3COOH"	115.000138
"1148396"	241.672501	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+3ACN+2H"	125.094202
"1697702"	490.277485	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+NH4+CF3COOH"	132.026685
"1634187"	495.23288	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+Na+CF3COOH"	136.98208
"1580558"	511.20682	"C15374"	"17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate;7alpha-Methyltestosterone propionate"	"C23H34O3"	"358.2508"	"M+K+CF3COOH"	152.95602
"802174"	390.277	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M"	0
"974614"	371.25861	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-H2O-H"	-19.01839
"63948"	259.177390666667	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M-3H"	-3.021828
"507883"	389.269724	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M-3H"	-3.021828
"882405"	129.085057333333	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-3H"	-3.021828
"8635"	389.269724	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M-2H"	-2.014552
"442729"	584.408224	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M-2H"	-2.014552
"821626"	194.131224	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-2H"	-2.014552
"80524"	779.546724	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M-H"	-1.007276
"521179"	1169.823724	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M-H"	-1.007276
"897886"	389.269724	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-H"	-1.007276
"48011"	796.573271	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M-2H+NH4"	16.019271
"489269"	1186.850271	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M-2H+NH4"	16.019271
"868535"	406.296271	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-2H+NH4"	16.019271
"36437"	801.528666	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M-2H+Na"	20.974666
"480374"	1191.805666	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M-2H+Na"	20.974666
"861829"	411.251666	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-2H+Na"	20.974666
"1631725"	411.251666	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Na-2H"	20.974666
"109311"	407.258063	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M-H+Cl"	33.962126
"546355"	602.396563	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M-H+Cl"	33.962126
"940601"	212.119563	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-H+Cl"	33.962126
"280617"	815.523402	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+Cl"	34.969402
"666105"	1205.800402	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+Cl"	34.969402
"1279603"	425.246402	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Cl"	34.969402
"19972"	817.502606	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M-2H+K"	36.948606
"458441"	1207.779606	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M-2H+K"	36.948606
"835874"	427.225606	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-2H+K"	36.948606
"1565199"	427.225606	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+K-2H"	36.948606
"950898"	435.275194	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-H+HCOOH"	44.998194
"375681"	825.552201	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+HCOOH-H"	44.998201
"360419"	839.567851	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+Hac-H"	59.013851
"1506950"	449.290851	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Hac-H"	59.013851
"972668"	457.257151	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-H+NaCOOH"	66.980151
"125100"	425.246402	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+2Cl"	69.938804
"562593"	620.384902	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+2Cl"	69.938804
"1035398"	230.107902	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2Cl"	69.938804
"1256069"	469.195885	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Br"	78.918885
"1318153"	471.251872	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Cl+HCOOH"	80.974872
"1335529"	493.233829	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Cl+NaCOOH"	102.956829
"924156"	503.262586	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M-H+CF3COOH"	112.985586
"1299408"	539.239264	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Cl+CF3COOH"	148.962264
"1374288"	355.264324	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H-2H2O"	-35.012676
"1391786"	373.2743	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H-H2O"	-17.0027
"292567"	781.561276	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+H"	1.007276
"687902"	1171.838276	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+H"	1.007276
"1359150"	391.284276	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H"	1.007276
"135318"	391.284276	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+2H"	2.014552
"572692"	586.422776	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+2H"	2.014552
"1043679"	196.145776	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2H"	2.014552
"213767"	261.191942666667	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+3H"	3.021828
"652232"	391.284276	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+3H"	3.021828
"1172179"	131.099609333333	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+3H"	3.021828
"428162"	798.587823	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+NH4"	18.033823
"788065"	1188.864823	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+NH4"	18.033823
"1683302"	408.310823	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+NH4"	18.033823
"331580"	399.7975495	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+H+NH4"	19.041099
"724729"	594.9360495	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+H+NH4"	19.041099
"1480011"	204.6590495	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H+NH4"	19.041099
"406348"	803.543218	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+Na"	22.989218
"761879"	1193.820218	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+Na"	22.989218
"1614355"	413.266218	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Na"	22.989218
"317098"	402.275247	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+H+Na"	23.996494
"715717"	597.413747	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+H+Na"	23.996494
"1466620"	207.136747	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H+Na"	23.996494
"1062787"	138.426923333333	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2H+Na"	25.00377
"1266652"	423.310486	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+CH3OH+H"	33.033486
"388506"	819.517158	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+K"	38.963158
"748410"	1209.794158	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+K"	38.963158
"1549368"	429.240158	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+K"	38.963158
"312013"	410.262217	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+H+K"	39.970434
"704433"	605.400717	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+H+K"	39.970434
"1459344"	215.123717	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H+K"	39.970434
"250743"	822.587826	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+ACN+H"	42.033826
"1221748"	432.310826	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+ACN+H"	42.033826
"1208186"	216.659051	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+ACN+2H"	43.041102
"200691"	825.52516	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+2Na-H"	44.97116
"641345"	1215.80216	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+2Na-H"	44.97116
"1141570"	435.24816	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2Na-H"	44.97116
"178300"	413.266218	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+2Na"	45.978436
"613851"	608.404718	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+2Na"	45.978436
"1116993"	218.127718	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2Na"	45.978436
"1400518"	145.754237333333	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H+2Na"	46.985712
"1434821"	437.289746	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H+HCOOH"	47.012746
"225612"	418.29924	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+3H2O+2H"	56.04448
"1516954"	451.34179	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+IsoProp+H"	61.06479
"417739"	421.253188	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+Na+K"	61.952376
"784938"	616.391688	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+Na+K"	61.952376
"1679443"	226.114688	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Na+K"	61.952376
"264871"	844.569768	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+ACN+Na"	64.015768
"1239040"	454.292768	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+ACN+Na"	64.015768
"1726468"	454.316293	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+NH4+HCOOH"	64.039293
"1191093"	153.081551333333	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+3Na"	68.967654
"1660621"	459.271688	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Na+HCOOH"	68.994688
"166389"	857.47304	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+2K-H"	76.91904
"607042"	1247.75004	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+2K-H"	76.91904
"1089368"	467.19604	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2K-H"	76.91904
"148372"	429.240158	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"2M+2K"	77.926316
"590119"	624.378658	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"3M+2K"	77.926316
"1079005"	234.101658	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2K"	77.926316
"1108935"	469.210592	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2K+H"	78.933592
"1347506"	469.298207	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+DMSO+H"	79.021207
"1016034"	473.337376	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2ACN+H"	83.060376
"1533068"	474.331008	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+IsoProp+Na+H"	84.054008
"995142"	237.172326	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+2ACN+2H"	84.067652
"1590737"	475.245628	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+K+HCOOH"	84.968628
"1417488"	505.277138	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+H+CF3COOH"	115.000138
"1147778"	257.685601	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+3ACN+2H"	125.094202
"1697692"	522.303685	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+NH4+CF3COOH"	132.026685
"1634172"	527.25908	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+Na+CF3COOH"	136.98208
"1580668"	543.23302	"C15375"	"Apocholic acid;3alpha12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid"	"C24H38O4"	"390.277"	"M+K+CF3COOH"	152.95602
"802284"	306.2559	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M"	0
"975817"	287.23751	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"64300"	203.163324	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"507993"	305.248624	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"882515"	101.078024	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"7652"	305.248624	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"442839"	458.376574	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"820642"	152.120674	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"80998"	611.504524	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"521289"	917.760424	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"897996"	305.248624	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"49455"	628.531071	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"489500"	934.786971	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"867551"	322.275171	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"35453"	633.486466	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"477203"	939.742366	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"860109"	327.230566	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1627820"	327.230566	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"107635"	323.236963	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"546465"	476.364913	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"938517"	170.109013	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"277073"	647.481202	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"664029"	953.737102	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1278620"	341.225302	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"16435"	649.460406	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"456316"	955.716306	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"835256"	343.204506	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1556110"	343.204506	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"953194"	351.254094	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"374698"	657.510001	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"360043"	671.525651	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1506326"	365.269751	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"972655"	373.236051	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"124480"	341.225302	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"564525"	494.353252	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1035874"	188.097352	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1255452"	385.174785	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1317899"	387.230772	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1335277"	409.212729	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"924266"	419.241486	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1299518"	455.218164	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1374398"	271.243224	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1392989"	289.2532	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"295957"	613.519076	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"688012"	919.774976	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1362540"	307.263176	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"137615"	307.263176	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"574989"	460.391126	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1044882"	154.135226	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"214970"	205.177876	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"652342"	307.263176	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1175570"	103.092576	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"434832"	630.545623	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"792549"	936.801523	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1685600"	324.289723	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"332783"	315.7764495	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"723746"	468.9043995	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1480121"	162.6484995	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"407431"	635.501018	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"765269"	941.756918	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1615558"	329.245118	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"323409"	318.254147	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"714734"	471.382097	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1467823"	165.126197	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1060710"	110.41989	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1267856"	339.289386	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"389711"	651.474958	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"750707"	957.730858	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1553852"	345.219058	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"313097"	326.241117	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"704543"	479.369067	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1459454"	173.113167	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"250246"	654.545626	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1221858"	348.289726	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1207203"	174.648501	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"202624"	657.48296	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"641455"	963.73886	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1141680"	351.22706	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"178410"	329.245118	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"614690"	482.373068	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1117467"	176.117168	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1401356"	117.747204	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1434931"	353.268646	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"226815"	334.27814	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1517064"	367.32069	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"418215"	337.232088	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"785049"	490.360038	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1679188"	184.104138	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"266074"	676.527568	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1239513"	370.271668	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1725848"	370.295193	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1192299"	125.074518	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1658545"	375.250588	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"164314"	689.43084	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"606061"	995.68674	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1089479"	383.17494	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"148482"	345.219058	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"590230"	498.347008	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1082153"	192.091108	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1107952"	385.189492	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1344336"	385.277107	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1016144"	389.316276	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1534271"	390.309908	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"995252"	195.161776	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1588295"	391.224528	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1416504"	421.256038	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1148251"	215.675051	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1698166"	438.282585	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1634385"	443.23798	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1580778"	459.21192	"C15376"	"17alpha-Methyl-5alpha-androstane-3alpha17beta-diol"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"803487"	288.2089	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M"	0
"976292"	269.19051	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"68543"	191.131990666667	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"513571"	287.201624	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"890279"	95.0623573333333	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"3390"	287.201624	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"444042"	431.306074	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"819660"	143.097174	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"84024"	575.410524	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"522491"	863.619424	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"898469"	287.201624	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"49205"	592.437071	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"489003"	880.645971	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"867661"	304.228171	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"36658"	597.392466	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"477313"	885.601366	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"860583"	309.183566	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1626836"	309.183566	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"107378"	305.189963	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"547304"	449.294413	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"939726"	161.085513	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"278280"	611.387202	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"668513"	899.596102	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1276544"	323.178302	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"22380"	613.366406	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"459753"	901.575306	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"834395"	325.157506	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1559950"	325.157506	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"952209"	333.207094	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"371521"	621.416001	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"357594"	635.431651	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1503145"	347.222751	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"965219"	355.189051	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"117408"	323.178302	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"560249"	467.282752	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1035858"	179.073852	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1256414"	367.127785	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1316547"	369.183772	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1334411"	391.165729	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"921822"	401.194486	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1295252"	437.171164	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1375601"	253.196224	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1388722"	271.2062	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"289500"	577.425076	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"685206"	865.633976	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1362649"	289.216176	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"135538"	289.216176	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"575099"	433.320626	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1049366"	145.111726	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"217268"	193.146542666667	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"657191"	289.216176	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1177503"	97.0769093333333	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"437131"	594.451623	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"798491"	882.660523	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1684615"	306.242723	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"336173"	297.7294495	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"726408"	441.8338995	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1486791"	153.6249995	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"405474"	599.407018	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"768659"	887.615918	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1616761"	311.198118	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"325705"	300.207147	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"715937"	444.311597	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1467570"	156.102697	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1064101"	104.404223333333	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1269059"	321.242386	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"390913"	615.380958	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"752277"	903.589858	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1554694"	327.172058	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"312601"	308.194117	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"705383"	452.298567	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1458471"	164.089667	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"251084"	618.451626	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1223061"	330.242726	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1208038"	165.625001	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"199816"	621.38896	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"638284"	909.59786	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1141790"	333.18006	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"175965"	311.198118	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"614553"	455.302568	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1117087"	167.093668	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1402924"	111.731537333333	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1437227"	335.221646	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"230935"	316.23114	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1519361"	349.27369	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"420877"	319.185088	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"785594"	463.289538	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1678569"	175.080638	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"265094"	640.433568	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1240717"	352.224668	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1727905"	352.248193	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1189855"	119.058851333333	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1659749"	357.203588	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"165517"	653.33684	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"606172"	941.54574	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1089589"	365.12794	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"147499"	327.172058	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"589247"	471.276508	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1082265"	183.067608	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1108063"	367.142492	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1341168"	367.230107	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1015164"	371.269276	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1534383"	372.262908	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"995363"	186.138276	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1589136"	373.177528	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1415524"	403.209038	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1147631"	206.651551	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1698277"	420.235585	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1635387"	425.19098	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1580888"	441.16492	"C15377"	"17beta-Hydroxy-5alpha-androst-1-en-3-one"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"804691"	372.3392	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M"	0
"974355"	353.32081	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-H2O-H"	-19.01839
"66465"	247.218857333333	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M-3H"	-3.021828
"512587"	371.331924	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M-3H"	-3.021828
"889296"	123.105790666667	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-3H"	-3.021828
"3500"	371.331924	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M-2H"	-2.014552
"443059"	557.501524	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M-2H"	-2.014552
"818677"	185.162324	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-2H"	-2.014552
"84134"	743.671124	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M-H"	-1.007276
"521872"	1116.010324	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M-H"	-1.007276
"898213"	371.331924	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-H"	-1.007276
"49315"	760.697671	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M-2H+NH4"	16.019271
"488386"	1133.036871	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M-2H+NH4"	16.019271
"865219"	388.358471	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-2H+NH4"	16.019271
"37861"	765.653066	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M-2H+Na"	20.974666
"476330"	1137.992266	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M-2H+Na"	20.974666
"859600"	393.313866	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-2H+Na"	20.974666
"1625853"	393.313866	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Na-2H"	20.974666
"108217"	389.320263	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M-H+Cl"	33.962126
"548869"	575.489863	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M-H+Cl"	33.962126
"941172"	203.150663	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-H+Cl"	33.962126
"279483"	779.647802	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+Cl"	34.969402
"665343"	1151.987002	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+Cl"	34.969402
"1277747"	407.308602	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Cl"	34.969402
"22490"	781.627006	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M-2H+K"	36.948606
"462050"	1153.966206	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M-2H+K"	36.948606
"833533"	409.287806	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-2H+K"	36.948606
"1558966"	409.287806	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+K-2H"	36.948606
"952319"	417.337394	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-H+HCOOH"	44.998194
"371631"	789.676601	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+HCOOH-H"	44.998201
"354417"	803.692251	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+Hac-H"	59.013851
"1499972"	431.353051	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Hac-H"	59.013851
"967514"	439.319351	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-H+NaCOOH"	66.980151
"117513"	407.308602	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+2Cl"	69.938804
"557079"	593.478202	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+2Cl"	69.938804
"1032076"	221.139002	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2Cl"	69.938804
"1253113"	451.258085	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Br"	78.918885
"1316293"	453.314072	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Cl+HCOOH"	80.974872
"1327593"	475.296029	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Cl+NaCOOH"	102.956829
"918652"	485.324786	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M-H+CF3COOH"	112.985586
"1295362"	521.301464	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Cl+CF3COOH"	148.962264
"1375711"	337.326524	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H-2H2O"	-35.012676
"1385553"	355.3365	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H-H2O"	-17.0027
"285238"	745.685676	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+H"	1.007276
"679847"	1118.024876	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+H"	1.007276
"1360572"	373.346476	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H"	1.007276
"135648"	373.346476	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+2H"	2.014552
"573021"	559.516076	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+2H"	2.014552
"1044008"	187.176876	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2H"	2.014552
"211911"	249.233409333333	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+3H"	3.021828
"654749"	373.346476	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+3H"	3.021828
"1173967"	125.120342666667	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+3H"	3.021828
"438333"	762.712223	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+NH4"	18.033823
"796049"	1135.051423	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+NH4"	18.033823
"1682538"	390.373023	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+NH4"	18.033823
"333003"	381.8597495	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+H+NH4"	19.041099
"726518"	568.0293495	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+H+NH4"	19.041099
"1483621"	195.6901495	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H+NH4"	19.041099
"405220"	767.667618	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+Na"	22.989218
"768769"	1140.006818	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+Na"	22.989218
"1613591"	395.328418	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Na"	22.989218
"322534"	384.337447	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+H+Na"	23.996494
"713131"	570.507047	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+H+Na"	23.996494
"1467680"	198.167847	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H+Na"	23.996494
"1059835"	132.447656666667	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2H+Na"	25.00377
"1265887"	405.372686	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+CH3OH+H"	33.033486
"388836"	783.641558	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+K"	38.963158
"745460"	1155.980758	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+K"	38.963158
"1551887"	411.302358	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+K"	38.963158
"311252"	392.324417	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+H+K"	39.970434
"704764"	578.494017	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+H+K"	39.970434
"1457488"	206.154817	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H+K"	39.970434
"249370"	786.712226	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+ACN+H"	42.033826
"1219891"	414.373026	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+ACN+H"	42.033826
"1204868"	207.690151	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+ACN+2H"	43.041102
"197740"	789.64956	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+2Na-H"	44.97116
"635114"	1161.98876	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+2Na-H"	44.97116
"1138620"	417.31036	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2Na-H"	44.97116
"174619"	395.328418	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+2Na"	45.978436
"614055"	581.498018	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+2Na"	45.978436
"1115666"	209.158818	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2Na"	45.978436
"1400239"	139.774970666667	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H+2Na"	46.985712
"1430770"	419.351946	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H+HCOOH"	47.012746
"230681"	400.36144	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+3H2O+2H"	56.04448
"1516191"	433.40399	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+IsoProp+H"	61.06479
"419894"	403.315388	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+Na+K"	61.952376
"785529"	589.484988	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+Na+K"	61.952376
"1678679"	217.145788	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Na+K"	61.952376
"264840"	808.694168	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+ACN+Na"	64.015768
"1240787"	436.354968	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+ACN+Na"	64.015768
"1727771"	436.378493	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+NH4+HCOOH"	64.039293
"1189965"	147.102284666667	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+3Na"	68.967654
"1658765"	441.333888	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Na+HCOOH"	68.994688
"164532"	821.59744	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+2K-H"	76.91904
"606282"	1193.93664	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+2K-H"	76.91904
"1092979"	449.25824	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2K-H"	76.91904
"145422"	411.302358	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"2M+2K"	77.926316
"592638"	597.471958	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"3M+2K"	77.926316
"1082617"	225.132758	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2K"	77.926316
"1109265"	451.272792	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2K+H"	78.933592
"1340185"	451.360407	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+DMSO+H"	79.021207
"1014181"	455.399576	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2ACN+H"	83.060376
"1534493"	456.393208	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+IsoProp+Na+H"	84.054008
"995473"	228.203426	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+2ACN+2H"	84.067652
"1587789"	457.307828	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+K+HCOOH"	84.968628
"1415634"	487.339338	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+H+CF3COOH"	115.000138
"1148471"	248.716701	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+3ACN+2H"	125.094202
"1698751"	504.365885	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+NH4+CF3COOH"	132.026685
"1635131"	509.32128	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+Na+CF3COOH"	136.98208
"1580998"	525.29522	"C15378"	"B-Norcholesterol;3beta-Hydroxy-B-norcholest-5-ene"	"C26H44O"	"372.3392"	"M+K+CF3COOH"	152.95602
"804801"	500.3866	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M"	0
"974376"	481.36821	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-H2O-H"	-19.01839
"66575"	332.583790666667	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M-3H"	-3.021828
"511604"	499.379324	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M-3H"	-3.021828
"887220"	165.788257333333	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-3H"	-3.021828
"11993"	499.379324	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M-2H"	-2.014552
"449730"	749.572624	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M-2H"	-2.014552
"825347"	249.186024	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-2H"	-2.014552
"84244"	999.765924	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M-H"	-1.007276
"523805"	1500.152524	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M-H"	-1.007276
"898324"	499.379324	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-H"	-1.007276
"47600"	1016.792471	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M-2H+NH4"	16.019271
"487891"	1517.179071	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M-2H+NH4"	16.019271
"865692"	516.405871	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-2H+NH4"	16.019271
"31651"	1021.747866	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M-2H+Na"	20.974666
"477533"	1522.134466	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M-2H+Na"	20.974666
"858617"	521.361266	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-2H+Na"	20.974666
"1625964"	521.361266	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Na-2H"	20.974666
"109831"	517.367663	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M-H+Cl"	33.962126
"549310"	767.560963	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M-H+Cl"	33.962126
"941891"	267.174363	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-H+Cl"	33.962126
"281782"	1035.742602	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+Cl"	34.969402
"672743"	1536.129202	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+Cl"	34.969402
"1278951"	535.356002	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Cl"	34.969402
"20413"	1037.721806	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M-2H+K"	36.948606
"459973"	1538.108406	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M-2H+K"	36.948606
"833114"	537.335206	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-2H+K"	36.948606
"1559077"	537.335206	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+K-2H"	36.948606
"949150"	545.384794	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-H+HCOOH"	44.998194
"367369"	1045.771401	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+HCOOH-H"	44.998201
"353434"	1059.787051	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+Hac-H"	59.013851
"1500083"	559.400451	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Hac-H"	59.013851
"965438"	567.366751	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-H+NaCOOH"	66.980151
"115436"	535.356002	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+2Cl"	69.938804
"556096"	785.549302	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+2Cl"	69.938804
"1030364"	285.162702	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2Cl"	69.938804
"1252130"	579.305485	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Br"	78.918885
"1314580"	581.361472	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Cl+HCOOH"	80.974872
"1327703"	603.343429	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Cl+NaCOOH"	102.956829
"919855"	613.372186	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M-H+CF3COOH"	112.985586
"1295473"	649.348864	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Cl+CF3COOH"	148.962264
"1379103"	465.373924	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H-2H2O"	-35.012676
"1388945"	483.3839	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H-H2O"	-17.0027
"287536"	1001.780476	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+H"	1.007276
"683239"	1502.167076	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+H"	1.007276
"1358496"	501.393876	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H"	1.007276
"130292"	501.393876	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+2H"	2.014552
"568759"	751.587176	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+2H"	2.014552
"1039017"	251.200576	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2H"	2.014552
"205459"	334.598342666667	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+3H"	3.021828
"649392"	501.393876	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+3H"	3.021828
"1168610"	167.802809333333	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+3H"	3.021828
"429696"	1018.807023	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+NH4"	18.033823
"793973"	1519.193623	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+NH4"	18.033823
"1682648"	518.420423	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+NH4"	18.033823
"332020"	509.9071495	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+H+NH4"	19.041099
"725535"	760.1004495	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+H+NH4"	19.041099
"1477656"	259.7138495	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H+NH4"	19.041099
"395123"	1023.762418	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+Na"	22.989218
"766693"	1524.149018	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+Na"	22.989218
"1615888"	523.375818	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Na"	22.989218
"325925"	512.384847	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+H+Na"	23.996494
"713972"	762.578147	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+H+Na"	23.996494
"1465239"	262.191547	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H+Na"	23.996494
"1062133"	175.130123333333	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2H+Na"	25.00377
"1263810"	533.420086	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+CH3OH+H"	33.033486
"388947"	1039.736358	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+K"	38.963158
"748850"	1540.122958	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+K"	38.963158
"1553093"	539.349758	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+K"	38.963158
"312820"	520.371817	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+H+K"	39.970434
"705968"	770.565117	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+H+K"	39.970434
"1457598"	270.178517	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H+K"	39.970434
"247293"	1042.807026	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+ACN+H"	42.033826
"1218908"	542.420426	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+ACN+H"	42.033826
"1202791"	271.713851	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+ACN+2H"	43.041102
"198943"	1045.74436	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+2Na-H"	44.97116
"635224"	1546.13096	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+2Na-H"	44.97116
"1138730"	545.35776	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2Na-H"	44.97116
"173631"	523.375818	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+2Na"	45.978436
"614166"	773.569118	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+2Na"	45.978436
"1116083"	273.182518	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2Na"	45.978436
"1398642"	182.457437333333	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H+2Na"	46.985712
"1431128"	547.399346	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H+HCOOH"	47.012746
"228239"	528.40884	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+3H2O+2H"	56.04448
"1516301"	561.45139	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+IsoProp+H"	61.06479
"420367"	531.362788	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+Na+K"	61.952376
"783921"	781.556088	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+Na+K"	61.952376
"1678789"	281.169488	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Na+K"	61.952376
"265313"	1064.788968	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+ACN+Na"	64.015768
"1238992"	564.402368	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+ACN+Na"	64.015768
"1728125"	564.425893	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+NH4+HCOOH"	64.039293
"1192263"	189.784751333333	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+3Na"	68.967654
"1655595"	569.381288	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Na+HCOOH"	68.994688
"163550"	1077.69224	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+2K-H"	76.91904
"607484"	1578.07884	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+2K-H"	76.91904
"1093090"	577.30564	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2K-H"	76.91904
"152094"	539.349758	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"2M+2K"	77.926316
"591655"	789.543058	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"3M+2K"	77.926316
"1083578"	289.156458	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2K"	77.926316
"1109375"	579.320192	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2K+H"	78.933592
"1339202"	579.407807	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+DMSO+H"	79.021207
"1016478"	583.446976	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2ACN+H"	83.060376
"1532417"	584.440608	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+IsoProp+Na+H"	84.054008
"997770"	292.227126	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+2ACN+2H"	84.067652
"1587899"	585.355228	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+K+HCOOH"	84.968628
"1416838"	615.386738	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+H+CF3COOH"	115.000138
"1149310"	312.740401	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+3ACN+2H"	125.094202
"1698010"	632.413285	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+NH4+CF3COOH"	132.026685
"1634998"	637.36868	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+Na+CF3COOH"	136.98208
"1581108"	653.34262	"C15379"	"3beta-Hydroxylanostane-711-dione acetate"	"C32H52O4"	"500.3866"	"M+K+CF3COOH"	152.95602
"804911"	364.205	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M"	0
"975527"	345.18661	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-H2O-H"	-19.01839
"66685"	241.796057333333	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M-3H"	-3.021828
"508433"	363.197724	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M-3H"	-3.021828
"890610"	120.394390666667	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-3H"	-3.021828
"12467"	363.197724	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M-2H"	-2.014552
"447653"	545.300224	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M-2H"	-2.014552
"824363"	181.095224	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-2H"	-2.014552
"85446"	727.402724	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M-H"	-1.007276
"527194"	1091.607724	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M-H"	-1.007276
"896247"	363.197724	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-H"	-1.007276
"47831"	744.429271	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M-2H+NH4"	16.019271
"492374"	1108.634271	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M-2H+NH4"	16.019271
"864708"	380.224271	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-2H+NH4"	16.019271
"31801"	749.384666	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M-2H+Na"	20.974666
"477643"	1113.589666	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M-2H+Na"	20.974666
"858727"	385.179666	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-2H+Na"	20.974666
"1626074"	385.179666	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Na-2H"	20.974666
"107343"	381.186063	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M-H+Cl"	33.962126
"549784"	563.288563	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M-H+Cl"	33.962126
"940784"	199.083563	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-H+Cl"	33.962126
"281164"	763.379402	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+Cl"	34.969402
"671761"	1127.584402	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+Cl"	34.969402
"1279061"	399.174402	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Cl"	34.969402
"20523"	765.358606	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M-2H+K"	36.948606
"460083"	1129.563606	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M-2H+K"	36.948606
"833509"	401.153606	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-2H+K"	36.948606
"1556999"	401.153606	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+K-2H"	36.948606
"948164"	409.203194	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-H+HCOOH"	44.998194
"364557"	773.408201	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+HCOOH-H"	44.998201
"348806"	787.423851	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+Hac-H"	59.013851
"1495089"	423.218851	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Hac-H"	59.013851
"965547"	431.185151	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-H+NaCOOH"	66.980151
"117733"	399.174402	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+2Cl"	69.938804
"556206"	581.276902	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+2Cl"	69.938804
"1032661"	217.071902	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2Cl"	69.938804
"1252240"	443.123885	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Br"	78.918885
"1307036"	445.179872	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Cl+HCOOH"	80.974872
"1327813"	467.161829	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Cl+NaCOOH"	102.956829
"918872"	477.190586	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M-H+CF3COOH"	112.985586
"1295583"	513.167264	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Cl+CF3COOH"	148.962264
"1370463"	329.192324	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H-2H2O"	-35.012676
"1389055"	347.2023	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H-H2O"	-17.0027
"285459"	729.417276	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+H"	1.007276
"678974"	1093.622276	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+H"	1.007276
"1357511"	365.212276	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H"	1.007276
"131497"	365.212276	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+2H"	2.014552
"569963"	547.314776	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+2H"	2.014552
"1042042"	183.109776	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2H"	2.014552
"204840"	243.810609333333	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+3H"	3.021828
"645492"	365.212276	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+3H"	3.021828
"1168720"	122.408942666667	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+3H"	3.021828
"430899"	746.443823	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+NH4"	18.033823
"789708"	1110.648823	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+NH4"	18.033823
"1681619"	382.238823	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+NH4"	18.033823
"335410"	373.7255495	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+H+NH4"	19.041099
"725645"	555.8280495	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+H+NH4"	19.041099
"1478374"	191.6230495	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H+NH4"	19.041099
"395233"	751.399218	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+Na"	22.989218
"763523"	1115.604218	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+Na"	22.989218
"1614904"	387.194218	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Na"	22.989218
"322754"	376.203247	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+H+Na"	23.996494
"715175"	558.305747	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+H+Na"	23.996494
"1467171"	194.100747	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H+Na"	23.996494
"1062243"	129.736256666667	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2H+Na"	25.00377
"1262827"	397.238486	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+CH3OH+H"	33.033486
"390151"	767.373158	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+K"	38.963158
"751147"	1131.578158	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+K"	38.963158
"1552839"	403.168158	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+K"	38.963158
"312202"	384.190217	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+H+K"	39.970434
"704985"	566.292717	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+H+K"	39.970434
"1454428"	202.087717	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H+K"	39.970434
"246310"	770.443826	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+ACN+H"	42.033826
"1219019"	406.238826	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+ACN+H"	42.033826
"1202903"	203.623051	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+ACN+2H"	43.041102
"196866"	773.38116	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+2Na-H"	44.97116
"635334"	1137.58616	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+2Na-H"	44.97116
"1138840"	409.17616	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2Na-H"	44.97116
"173255"	387.194218	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+2Na"	45.978436
"613547"	569.296718	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+2Na"	45.978436
"1115748"	205.091718	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2Na"	45.978436
"1398628"	137.063570666667	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H+2Na"	46.985712
"1431117"	411.217746	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H+HCOOH"	47.012746
"225069"	392.22724	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+3H2O+2H"	56.04448
"1516411"	425.26979	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+IsoProp+H"	61.06479
"420842"	395.181188	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+Na+K"	61.952376
"783665"	577.283688	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+Na+K"	61.952376
"1678899"	213.078688	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Na+K"	61.952376
"266032"	792.425768	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+ACN+Na"	64.015768
"1240196"	428.220768	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+ACN+Na"	64.015768
"1727749"	428.244293	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+NH4+HCOOH"	64.039293
"1191279"	144.390884666667	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+3Na"	68.967654
"1658986"	433.199688	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Na+HCOOH"	68.994688
"169128"	805.32904	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+2K-H"	76.91904
"606500"	1169.53404	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+2K-H"	76.91904
"1097573"	441.12404	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2K-H"	76.91904
"154388"	403.168158	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"2M+2K"	77.926316
"595651"	585.270658	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"3M+2K"	77.926316
"1077369"	221.065658	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2K"	77.926316
"1104018"	443.138592	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2K+H"	78.933592
"1343682"	443.226207	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+DMSO+H"	79.021207
"1011117"	447.265376	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2ACN+H"	83.060376
"1535804"	448.259008	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+IsoProp+Na+H"	84.054008
"996786"	224.136326	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+2ACN+2H"	84.067652
"1587399"	449.173628	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+K+HCOOH"	84.968628
"1415854"	479.205138	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+H+CF3COOH"	115.000138
"1147721"	244.649601	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+3ACN+2H"	125.094202
"1697513"	496.231685	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+NH4+CF3COOH"	132.026685
"1634379"	501.18708	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+Na+CF3COOH"	136.98208
"1581218"	517.16102	"C15380"	"9-Fluoro-11beta16alpha-dihydroxypregn-4-ene-320-dione"	"C21H29FO4"	"364.205"	"M+K+CF3COOH"	152.95602
"811582"	366.2007	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M"	0
"976370"	347.18231	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-H2O-H"	-19.01839
"64611"	243.126524	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M-3H"	-3.021828
"509639"	365.193424	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M-3H"	-3.021828
"885253"	121.059624	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-3H"	-3.021828
"7110"	365.193424	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M-2H"	-2.014552
"442297"	548.293774	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M-2H"	-2.014552
"817914"	182.093074	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-2H"	-2.014552
"84466"	731.394124	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M-H"	-1.007276
"521840"	1097.594824	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M-H"	-1.007276
"898176"	365.193424	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-H"	-1.007276
"47695"	748.420671	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M-2H+NH4"	16.019271
"487865"	1114.621371	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M-2H+NH4"	16.019271
"864454"	382.219971	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-2H+NH4"	16.019271
"40378"	753.376066	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M-2H+Na"	20.974666
"484316"	1119.576766	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M-2H+Na"	20.974666
"861025"	387.175366	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-2H+Na"	20.974666
"1630559"	387.175366	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Na-2H"	20.974666
"108184"	383.181763	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M-H+Cl"	33.962126
"549450"	566.282113	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M-H+Cl"	33.962126
"942281"	200.081413	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-H+Cl"	33.962126
"282742"	767.370802	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+Cl"	34.969402
"672238"	1133.571502	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+Cl"	34.969402
"1286829"	401.170102	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Cl"	34.969402
"22819"	769.350006	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M-2H+K"	36.948606
"465660"	1135.550706	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M-2H+K"	36.948606
"837995"	403.149306	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-2H+K"	36.948606
"1559295"	403.149306	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+K-2H"	36.948606
"949367"	411.198894	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-H+HCOOH"	44.998194
"368675"	777.399601	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+HCOOH-H"	44.998201
"354746"	791.415251	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+Hac-H"	59.013851
"1498842"	425.214551	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Hac-H"	59.013851
"965656"	433.180851	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-H+NaCOOH"	66.980151
"118936"	401.170102	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+2Cl"	69.938804
"557405"	584.270452	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+2Cl"	69.938804
"1030579"	218.069752	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2Cl"	69.938804
"1250158"	445.119585	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Br"	78.918885
"1313703"	447.175572	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Cl+HCOOH"	80.974872
"1327923"	469.157529	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Cl+NaCOOH"	102.956829
"918981"	479.186286	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M-H+CF3COOH"	112.985586
"1292409"	515.162964	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Cl+CF3COOH"	148.962264
"1369479"	331.188024	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H-2H2O"	-35.012676
"1390257"	349.198	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H-H2O"	-17.0027
"286663"	733.408676	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+H"	1.007276
"683459"	1099.609376	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+H"	1.007276
"1354339"	367.207976	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H"	1.007276
"132698"	367.207976	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+2H"	2.014552
"571165"	550.308326	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+2H"	2.014552
"1040329"	184.107626	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2H"	2.014552
"207866"	245.141076	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+3H"	3.021828
"646086"	367.207976	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+3H"	3.021828
"1168830"	123.074176	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+3H"	3.021828
"431009"	750.435223	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+NH4"	18.033823
"789818"	1116.635923	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+NH4"	18.033823
"1683962"	384.234523	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+NH4"	18.033823
"332240"	375.7212495	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+H+NH4"	19.041099
"726848"	558.8215995	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+H+NH4"	19.041099
"1478605"	192.6208995	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H+NH4"	19.041099
"403727"	755.390618	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+Na"	22.989218
"766913"	1121.591318	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+Na"	22.989218
"1613920"	389.189918	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Na"	22.989218
"325051"	378.198947	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+H+Na"	23.996494
"717472"	561.299297	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+H+Na"	23.996494
"1469108"	195.098597	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H+Na"	23.996494
"1060167"	130.40149	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2H+Na"	25.00377
"1270473"	399.234186	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+CH3OH+H"	33.033486
"389168"	771.364558	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+K"	38.963158
"750164"	1137.565258	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+K"	38.963158
"1553311"	405.163858	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+K"	38.963158
"311220"	386.185917	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+H+K"	39.970434
"706066"	569.286267	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+H+K"	39.970434
"1455631"	203.085567	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H+K"	39.970434
"246420"	774.435226	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+ACN+H"	42.033826
"1220222"	408.234526	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+ACN+H"	42.033826
"1204106"	204.620901	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+ACN+2H"	43.041102
"195883"	777.37256	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+2Na-H"	44.97116
"634351"	1143.57326	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+2Na-H"	44.97116
"1138950"	411.17186	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2Na-H"	44.97116
"172904"	389.189918	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+2Na"	45.978436
"618519"	572.290268	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+2Na"	45.978436
"1118745"	206.089568	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2Na"	45.978436
"1400204"	137.728804	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H+2Na"	46.985712
"1431106"	413.213446	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H+HCOOH"	47.012746
"225179"	394.22294	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+3H2O+2H"	56.04448
"1516521"	427.26549	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+IsoProp+H"	61.06479
"421681"	397.176888	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+Na+K"	61.952376
"783533"	580.277238	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+Na+K"	61.952376
"1676825"	214.076538	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Na+K"	61.952376
"265170"	796.417168	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+ACN+Na"	64.015768
"1239702"	430.216468	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+ACN+Na"	64.015768
"1724216"	430.239993	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+NH4+HCOOH"	64.039293
"1191026"	145.056118	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+3Na"	68.967654
"1659096"	435.195388	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Na+HCOOH"	68.994688
"167051"	809.32044	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+2K-H"	76.91904
"605518"	1175.52114	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+2K-H"	76.91904
"1096590"	443.11974	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2K-H"	76.91904
"155591"	405.163858	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"2M+2K"	77.926316
"594058"	588.264208	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"3M+2K"	77.926316
"1078572"	222.063508	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2K"	77.926316
"1106314"	445.134292	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2K+H"	78.933592
"1343792"	445.221907	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+DMSO+H"	79.021207
"1013418"	449.261076	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2ACN+H"	83.060376
"1528262"	450.254708	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+IsoProp+Na+H"	84.054008
"994709"	225.134176	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+2ACN+2H"	84.067652
"1588119"	451.169328	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+K+HCOOH"	84.968628
"1414312"	481.200838	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+H+CF3COOH"	115.000138
"1147468"	245.647451	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+3ACN+2H"	125.094202
"1699082"	498.227385	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+NH4+CF3COOH"	132.026685
"1634245"	503.18278	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+Na+CF3COOH"	136.98208
"1581328"	519.15672	"C15381"	"6alpha9-Difluoro-11beta-hydroxypregn-4-ene-320-dione;6alpha9-Difluoro-11beta-hydroxyprogesterone"	"C21H28F2O3"	"366.2007"	"M+K+CF3COOH"	152.95602
"811692"	414.2042	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M"	0
"975385"	395.18581	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H2O-H"	-19.01839
"65082"	275.128857333333	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-3H"	-3.021828
"508655"	413.196924	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-3H"	-3.021828
"885363"	137.060790666667	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-3H"	-3.021828
"10500"	413.196924	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H"	-2.014552
"445688"	620.299024	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H"	-2.014552
"820212"	206.094824	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H"	-2.014552
"84578"	827.401124	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-H"	-1.007276
"519397"	1241.605324	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-H"	-1.007276
"896343"	413.196924	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H"	-1.007276
"47441"	844.427671	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H+NH4"	16.019271
"488582"	1258.631871	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H+NH4"	16.019271
"865048"	430.223471	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H+NH4"	16.019271
"40488"	849.383066	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H+Na"	20.974666
"485887"	1263.587266	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H+Na"	20.974666
"862960"	435.178866	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H+Na"	20.974666
"1631400"	435.178866	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na-2H"	20.974666
"109028"	431.185263	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-H+Cl"	33.962126
"548948"	638.287363	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-H+Cl"	33.962126
"942351"	224.083163	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+Cl"	33.962126
"282488"	863.377802	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Cl"	34.969402
"670160"	1277.582002	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+Cl"	34.969402
"1285115"	449.173602	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl"	34.969402
"24754"	865.357006	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H+K"	36.948606
"461396"	1279.561206	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H+K"	36.948606
"840292"	451.152806	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H+K"	36.948606
"1563779"	451.152806	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K-2H"	36.948606
"948383"	459.202394	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+HCOOH"	44.998194
"367691"	873.406601	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+HCOOH-H"	44.998201
"351212"	887.422251	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Hac-H"	59.013851
"1499319"	473.218051	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Hac-H"	59.013851
"964674"	481.184351	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+NaCOOH"	66.980151
"120142"	449.173602	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2Cl"	69.938804
"557515"	656.275702	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2Cl"	69.938804
"1029960"	242.071502	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2Cl"	69.938804
"1251362"	493.123085	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Br"	78.918885
"1316365"	495.179072	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl+HCOOH"	80.974872
"1328033"	517.161029	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl+NaCOOH"	102.956829
"922371"	527.189786	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+CF3COOH"	112.985586
"1293612"	563.166464	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl+CF3COOH"	148.962264
"1375053"	379.191524	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H-2H2O"	-35.012676
"1389274"	397.2015	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H-H2O"	-17.0027
"290053"	829.415676	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H"	1.007276
"680289"	1243.619876	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H"	1.007276
"1353353"	415.211476	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H"	1.007276
"128430"	415.211476	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2H"	2.014552
"570179"	622.313576	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2H"	2.014552
"1041165"	208.109376	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2H"	2.014552
"212346"	277.143409333333	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+3H"	3.021828
"645346"	415.211476	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+3H"	3.021828
"1163226"	139.075342666667	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+3H"	3.021828
"424293"	846.442223	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+NH4"	18.033823
"789928"	1260.646423	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+NH4"	18.033823
"1684072"	432.238023	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+NH4"	18.033823
"334537"	423.7247495	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H+NH4"	19.041099
"726958"	630.8268495	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H+NH4"	19.041099
"1478107"	216.6226495	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+NH4"	19.041099
"403837"	851.397618	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Na"	22.989218
"767023"	1265.601818	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+Na"	22.989218
"1614030"	437.193418	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na"	22.989218
"322973"	426.202447	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H+Na"	23.996494
"722648"	633.304547	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H+Na"	23.996494
"1475658"	219.100347	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+Na"	23.996494
"1062463"	146.402656666667	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2H+Na"	25.00377
"1268516"	447.237686	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+CH3OH+H"	33.033486
"387091"	867.371558	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+K"	38.963158
"752461"	1281.575758	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+K"	38.963158
"1553422"	453.167358	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K"	38.963158
"311691"	434.189417	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H+K"	39.970434
"705568"	641.291517	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H+K"	39.970434
"1459749"	227.087317	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+K"	39.970434
"246530"	870.442226	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+ACN+H"	42.033826
"1221425"	456.238026	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+ACN+H"	42.033826
"1200936"	228.622651	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+ACN+2H"	43.041102
"195993"	873.37956	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2Na-H"	44.97116
"635554"	1287.58376	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2Na-H"	44.97116
"1139060"	459.17536	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2Na-H"	44.97116
"177976"	437.193418	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2Na"	45.978436
"615349"	644.295518	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2Na"	45.978436
"1115930"	230.091318	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2Na"	45.978436
"1399092"	153.729970666667	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+2Na"	46.985712
"1431337"	461.216946	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+HCOOH"	47.012746
"226382"	442.22644	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+3H2O+2H"	56.04448
"1514445"	475.26899	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+IsoProp+H"	61.06479
"420698"	445.180388	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Na+K"	61.952376
"784251"	652.282488	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+Na+K"	61.952376
"1680222"	238.078288	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na+K"	61.952376
"266377"	892.424168	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+ACN+Na"	64.015768
"1240421"	478.219968	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+ACN+Na"	64.015768
"1726515"	478.243493	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+NH4+HCOOH"	64.039293
"1191501"	161.057284666667	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+3Na"	68.967654
"1660299"	483.198888	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na+HCOOH"	68.994688
"169346"	905.32744	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2K-H"	76.91904
"608543"	1319.53164	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2K-H"	76.91904
"1096701"	491.12324	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2K-H"	76.91904
"153515"	453.167358	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2K"	77.926316
"594897"	660.269458	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2K"	77.926316
"1078682"	246.065258	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2K"	77.926316
"1106424"	493.137792	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2K+H"	78.933592
"1344995"	493.225407	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+DMSO+H"	79.021207
"1014622"	497.264576	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2ACN+H"	83.060376
"1529466"	498.258208	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+IsoProp+Na+H"	84.054008
"995913"	249.135926	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2ACN+2H"	84.067652
"1592604"	499.172828	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K+HCOOH"	84.968628
"1417170"	529.204338	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+CF3COOH"	115.000138
"1147089"	269.649201	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+3ACN+2H"	125.094202
"1698100"	546.230885	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+NH4+CF3COOH"	132.026685
"1634234"	551.18628	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na+CF3COOH"	136.98208
"1581438"	567.16022	"C15382"	"Estra-135(10)-triene-36alpha17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K+CF3COOH"	152.95602
"803054"	203.0807	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M"	0
"976223"	184.06231	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-H2O-H"	-19.01839
"64097"	134.379857333333	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M-3H"	-3.021828
"508765"	202.073424	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M-3H"	-3.021828
"888753"	66.6862906666667	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-3H"	-3.021828
"8423"	202.073424	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M-2H"	-2.014552
"445798"	303.613774	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M-2H"	-2.014552
"820322"	100.533074	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-2H"	-2.014552
"84687"	405.154124	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M-H"	-1.007276
"523154"	608.234824	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M-H"	-1.007276
"900953"	202.073424	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-H"	-1.007276
"50955"	422.180671	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M-2H+NH4"	16.019271
"490150"	625.261371	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M-2H+NH4"	16.019271
"866255"	219.099971	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-2H+NH4"	16.019271
"34034"	427.136066	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M-2H+Na"	20.974666
"473840"	630.216766	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M-2H+Na"	20.974666
"854678"	224.055366	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-2H+Na"	20.974666
"1628589"	224.055366	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Na-2H"	20.974666
"106581"	220.061763	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M-H+Cl"	33.962126
"544680"	321.602113	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M-H+Cl"	33.962126
"942208"	118.521413	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-H+Cl"	33.962126
"278576"	441.130802	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+Cl"	34.969402
"669175"	644.211502	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+Cl"	34.969402
"1283763"	238.050102	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Cl"	34.969402
"26321"	443.110006	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M-2H+K"	36.948606
"462599"	646.190706	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M-2H+K"	36.948606
"841495"	240.029306	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-2H+K"	36.948606
"1564982"	240.029306	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+K-2H"	36.948606
"948493"	248.078894	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-H+HCOOH"	44.998194
"367801"	451.159601	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+HCOOH-H"	44.998201
"354966"	465.175251	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+Hac-H"	59.013851
"1496513"	262.094551	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Hac-H"	59.013851
"968061"	270.060851	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-H+NaCOOH"	66.980151
"118062"	238.050102	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+2Cl"	69.938804
"558717"	339.590452	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+2Cl"	69.938804
"1028611"	136.509752	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2Cl"	69.938804
"1248193"	281.999585	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Br"	78.918885
"1314650"	284.055572	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Cl+HCOOH"	80.974872
"1323767"	306.037529	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Cl+NaCOOH"	102.956829
"913732"	316.066286	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M-H+CF3COOH"	112.985586
"1290806"	352.042964	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Cl+CF3COOH"	148.962264
"1370787"	168.068024	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H-2H2O"	-35.012676
"1389384"	186.078	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H-H2O"	-17.0027
"289070"	407.168676	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+H"	1.007276
"680399"	610.249376	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+H"	1.007276
"1352124"	204.087976	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H"	1.007276
"127446"	204.087976	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+2H"	2.014552
"570289"	305.628326	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+2H"	2.014552
"1039088"	102.547626	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2H"	2.014552
"208082"	136.394409333333	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+3H"	3.021828
"650922"	204.087976	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+3H"	3.021828
"1163945"	68.7008426666667	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+3H"	3.021828
"425149"	424.195223	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+NH4"	18.033823
"787851"	627.275923	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+NH4"	18.033823
"1684182"	221.114523	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+NH4"	18.033823
"335740"	212.6012495	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+H+NH4"	19.041099
"727067"	314.1415995	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+H+NH4"	19.041099
"1479797"	111.0608995	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H+NH4"	19.041099
"402854"	429.150618	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+Na"	22.989218
"767862"	632.231318	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+Na"	22.989218
"1614140"	226.069918	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Na"	22.989218
"328186"	215.078947	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+H+Na"	23.996494
"722739"	316.619297	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+H+Na"	23.996494
"1473700"	113.538597	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H+Na"	23.996494
"1066462"	76.0281566666667	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2H+Na"	25.00377
"1269718"	236.114186	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+CH3OH+H"	33.033486
"391576"	445.124558	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+K"	38.963158
"748197"	648.205258	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+K"	38.963158
"1552439"	242.043858	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+K"	38.963158
"312895"	223.065917	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+H+K"	39.970434
"705315"	324.606267	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+H+K"	39.970434
"1460228"	121.525567	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H+K"	39.970434
"248824"	448.195226	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+ACN+H"	42.033826
"1223599"	245.114526	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+ACN+H"	42.033826
"1205419"	123.060901	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+ACN+2H"	43.041102
"190634"	451.13256	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+2Na-H"	44.97116
"629466"	654.21326	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+2Na-H"	44.97116
"1139170"	248.05186	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2Na-H"	44.97116
"173708"	226.069918	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+2Na"	45.978436
"613390"	327.610268	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+2Na"	45.978436
"1117141"	124.529568	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2Na"	45.978436
"1398963"	83.3554706666667	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H+2Na"	46.985712
"1430593"	250.093446	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H+HCOOH"	47.012746
"223210"	231.10294	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+3H2O+2H"	56.04448
"1514919"	264.14549	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+IsoProp+H"	61.06479
"421901"	234.056888	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+Na+K"	61.952376
"784362"	335.597238	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+Na+K"	61.952376
"1680330"	132.516538	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Na+K"	61.952376
"266242"	470.177168	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+ACN+Na"	64.015768
"1239923"	267.096468	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+ACN+Na"	64.015768
"1726257"	267.119993	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+NH4+HCOOH"	64.039293
"1189426"	90.6827846666667	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+3Na"	68.967654
"1663325"	272.075388	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Na+HCOOH"	68.994688
"169457"	483.08044	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+2K-H"	76.91904
"609017"	686.16114	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+2K-H"	76.91904
"1096810"	279.99974	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2K-H"	76.91904
"154718"	242.043858	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"2M+2K"	77.926316
"594278"	343.584208	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"3M+2K"	77.926316
"1077699"	140.503508	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2K"	77.926316
"1106533"	282.014292	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2K+H"	78.933592
"1345108"	282.101907	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+DMSO+H"	79.021207
"1015824"	286.141076	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2ACN+H"	83.060376
"1530667"	287.134708	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+IsoProp+Na+H"	84.054008
"996022"	143.574176	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+2ACN+2H"	84.067652
"1591618"	288.049328	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+K+HCOOH"	84.968628
"1414968"	318.080838	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+H+CF3COOH"	115.000138
"1147560"	164.087451	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+3ACN+2H"	125.094202
"1698207"	335.107385	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+NH4+CF3COOH"	132.026685
"1634425"	340.06278	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+Na+CF3COOH"	136.98208
"1581548"	356.03672	"C15383"	"(5-Phenyl-124-triazol-3-yl)urea;3-Phenyl-5-ureido-124-triazole"	"C9H9N5O"	"203.0807"	"M+K+CF3COOH"	152.95602
"815194"	332.2351	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M"	0
"977064"	313.21671	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"67128"	220.482790666667	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"515437"	331.227824	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"888865"	109.737757333333	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"8534"	331.227824	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"451378"	497.345374	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"828087"	165.110274	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"91357"	663.462924	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"528732"	995.698024	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"904346"	331.227824	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"52159"	680.489471	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"490990"	1012.724571	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"866244"	348.254371	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"36331"	685.444866	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"481363"	1017.679966	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"853697"	353.209766	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1626513"	353.209766	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"107055"	349.216163	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"546612"	515.333713	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"937940"	183.098613	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"278320"	699.439602	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"672200"	1031.674702	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1284606"	367.204502	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"27161"	701.418806	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"463804"	1033.653906	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"841605"	369.183706	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1565093"	369.183706	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"948603"	377.233294	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"369008"	709.468401	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"349979"	723.484051	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1501728"	391.248951	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"969267"	399.215251	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"115988"	367.204502	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"555549"	533.322052	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1026171"	201.086952	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1253772"	411.153985	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1310754"	413.209972	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1327157"	435.191929	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"917124"	445.220686	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1297116"	481.197364	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1369079"	297.222424	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1384026"	315.2324	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"289180"	665.477476	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"680508"	997.712576	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1352483"	333.242376	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"127435"	333.242376	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"570399"	499.359926	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1041385"	167.124826	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"209286"	222.497342666667	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"651033"	333.242376	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1166973"	111.752309333333	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"430245"	682.504023	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"787961"	1014.739123	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1685385"	350.268923	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"332570"	341.7556495	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"724991"	507.8731995	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1479178"	175.6380995	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"406244"	687.459418	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"768948"	1019.694518	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1616439"	355.224318	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"329719"	344.233347	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"722179"	510.350897	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1475635"	178.115797	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1065600"	119.079623333333	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1267641"	365.268586	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"387312"	703.433358	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"748308"	1035.668458	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1550363"	371.198258	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"308632"	352.220317	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"705787"	518.337867	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1460333"	186.102767	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"247842"	706.504026	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1218363"	374.268926	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1203339"	187.638101	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"189647"	709.44136	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"632130"	1041.67646	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1136000"	377.20626	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"173942"	355.224318	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"613988"	521.341868	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1119806"	189.106768	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1399438"	126.406937333333	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1430582"	379.247846	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"223684"	360.25734	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1511384"	393.29989	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"422380"	363.211288	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"785455"	529.328838	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1680444"	197.093738	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"266230"	728.485968	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1238212"	396.250868	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1724548"	396.274393	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1190264"	133.734251333333	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1663439"	401.229788	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"169567"	741.38924	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"610586"	1073.62434	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1096559"	409.15414	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"154105"	371.198258	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"595361"	537.315808	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1082182"	205.080708	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1111019"	411.168692	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1347402"	411.256307	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1012652"	415.295476	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1532964"	416.289108	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"997225"	208.151376	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1591728"	417.203728	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1415567"	447.235238	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1147553"	228.664651	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1698685"	464.261785	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1643819"	469.21718	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1584938"	485.19112	"C15384"	"12alpha-Hydroxy-5beta-pregnane-320-dione"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"810929"	288.1725	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M"	0
"976809"	269.15411	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-H2O-H"	-19.01839
"66509"	191.107724	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M-3H"	-3.021828
"510079"	287.165224	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M-3H"	-3.021828
"888974"	95.050224	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-3H"	-3.021828
"11924"	287.165224	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M-2H"	-2.014552
"451486"	431.251474	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M-2H"	-2.014552
"830752"	143.078974	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-2H"	-2.014552
"89279"	575.337724	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M-H"	-1.007276
"532120"	863.510224	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M-H"	-1.007276
"904455"	287.165224	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-H"	-1.007276
"55549"	592.364271	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M-2H+NH4"	16.019271
"494015"	880.536771	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M-2H+NH4"	16.019271
"867445"	304.191771	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-2H+NH4"	16.019271
"33886"	597.319666	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M-2H+Na"	20.974666
"482567"	885.492166	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M-2H+Na"	20.974666
"860003"	309.147166	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-2H+Na"	20.974666
"1630998"	309.147166	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Na-2H"	20.974666
"106436"	305.153563	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M-H+Cl"	33.962126
"549196"	449.239813	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M-H+Cl"	33.962126
"941697"	161.067313	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-H+Cl"	33.962126
"279161"	611.314402	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+Cl"	34.969402
"673769"	899.486902	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+Cl"	34.969402
"1284716"	323.141902	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Cl"	34.969402
"25449"	613.293606	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M-2H+K"	36.948606
"466101"	901.466106	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M-2H+K"	36.948606
"843902"	325.121106	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-2H+K"	36.948606
"1565205"	325.121106	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+K-2H"	36.948606
"948715"	333.170694	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-H+HCOOH"	44.998194
"365840"	621.343201	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+HCOOH-H"	44.998201
"354097"	635.358851	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+Hac-H"	59.013851
"1499649"	347.186351	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Hac-H"	59.013851
"970106"	355.152651	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-H+NaCOOH"	66.980151
"118284"	323.141902	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+2Cl"	69.938804
"554566"	467.228152	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+2Cl"	69.938804
"1027741"	179.055652	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2Cl"	69.938804
"1248414"	367.091385	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Br"	78.918885
"1314142"	369.147372	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Cl+HCOOH"	80.974872
"1330546"	391.129329	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Cl+NaCOOH"	102.956829
"925493"	401.158086	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M-H+CF3COOH"	112.985586
"1300501"	437.134764	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Cl+CF3COOH"	148.962264
"1368094"	253.159824	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H-2H2O"	-35.012676
"1383034"	271.1698	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H-H2O"	-17.0027
"289290"	577.352276	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+H"	1.007276
"680618"	865.524776	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+H"	1.007276
"1351983"	289.179776	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H"	1.007276
"125883"	289.179776	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+2H"	2.014552
"570509"	433.266026	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+2H"	2.014552
"1040402"	145.093526	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2H"	2.014552
"208302"	193.122276	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+3H"	3.021828
"652237"	289.179776	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+3H"	3.021828
"1165989"	97.064776	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+3H"	3.021828
"425981"	594.378823	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+NH4"	18.033823
"786370"	882.551323	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+NH4"	18.033823
"1683309"	306.206323	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+NH4"	18.033823
"337055"	297.6930495	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+H+NH4"	19.041099
"725465"	441.7792995	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+H+NH4"	19.041099
"1481111"	153.6067995	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H+NH4"	19.041099
"407449"	599.334218	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+Na"	22.989218
"769300"	887.506718	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+Na"	22.989218
"1616793"	311.161718	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Na"	22.989218
"326584"	300.170747	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+H+Na"	23.996494
"720952"	444.256997	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+H+Na"	23.996494
"1472829"	156.084497	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H+Na"	23.996494
"1065346"	104.39209	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2H+Na"	25.00377
"1264472"	321.205986	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+CH3OH+H"	33.033486
"386331"	615.308158	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+K"	38.963158
"747326"	903.480658	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+K"	38.963158
"1548286"	327.135658	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+K"	38.963158
"307649"	308.157717	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+H+K"	39.970434
"702254"	452.243967	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+H+K"	39.970434
"1457165"	164.071467	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H+K"	39.970434
"249048"	618.378826	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+ACN+H"	42.033826
"1217382"	330.206326	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+ACN+H"	42.033826
"1202357"	165.606801	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+ACN+2H"	43.041102
"194137"	621.31616	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+2Na-H"	44.97116
"631511"	909.48866	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+2Na-H"	44.97116
"1137568"	333.14366	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2Na-H"	44.97116
"175390"	311.161718	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+2Na"	45.978436
"614586"	455.247968	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+2Na"	45.978436
"1119916"	167.075468	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2Na"	45.978436
"1405990"	111.719404	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H+2Na"	46.985712
"1429933"	335.185246	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H+HCOOH"	47.012746
"223065"	316.19474	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+3H2O+2H"	56.04448
"1514774"	349.23729	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+IsoProp+H"	61.06479
"423215"	319.148688	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+Na+K"	61.952376
"785188"	463.234938	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+Na+K"	61.952376
"1681273"	175.062438	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Na+K"	61.952376
"266749"	640.360768	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+ACN+Na"	64.015768
"1239052"	352.188268	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+ACN+Na"	64.015768
"1724293"	352.211793	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+NH4+HCOOH"	64.039293
"1189646"	119.046718	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+3Na"	68.967654
"1664277"	357.167188	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Na+HCOOH"	68.994688
"170770"	653.26404	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+2K-H"	76.91904
"609967"	941.43654	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+2K-H"	76.91904
"1095937"	365.09154	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2K-H"	76.91904
"154578"	327.135658	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"2M+2K"	77.926316
"595592"	471.221908	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"3M+2K"	77.926316
"1082294"	183.049408	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2K"	77.926316
"1106755"	367.106092	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2K+H"	78.933592
"1346419"	367.193707	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+DMSO+H"	79.021207
"1016042"	371.232876	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2ACN+H"	83.060376
"1538540"	372.226508	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+IsoProp+Na+H"	84.054008
"999521"	186.120076	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+2ACN+2H"	84.067652
"1596213"	373.141128	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+K+HCOOH"	84.968628
"1416406"	403.172638	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+H+CF3COOH"	115.000138
"1147785"	206.633351	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+3ACN+2H"	125.094202
"1697217"	420.199185	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+NH4+CF3COOH"	132.026685
"1643929"	425.15458	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+Na+CF3COOH"	136.98208
"1585048"	441.12852	"C15385"	"D-Homo-A-nor-17a-oxaandrost-3(5)-ene-217-dione;A-Nortestololactone"	"C18H24O3"	"288.1725"	"M+K+CF3COOH"	152.95602
"803384"	300.1725	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M"	0
"975826"	281.15411	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"65161"	199.107724	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"506908"	299.165224	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"886898"	99.050224	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"7661"	299.165224	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"448316"	449.251474	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"828303"	149.078974	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"83922"	599.337724	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"525669"	899.510224	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"903472"	299.165224	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"54566"	616.364271	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"488660"	916.536771	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"866462"	316.191771	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"31621"	621.319666	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"482313"	921.492166	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"861208"	321.147166	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1631109"	321.147166	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"107639"	317.153563	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"548782"	467.239813	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"942056"	167.067313	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"280365"	635.314402	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"674857"	935.486902	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1285190"	335.141902	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"25557"	637.293606	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"468396"	937.466106	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"845106"	337.121106	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1568234"	337.121106	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"951009"	345.170694	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"365950"	645.343201	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"354207"	659.358851	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1499759"	359.186351	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"966207"	367.152651	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"119124"	335.141902	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"557956"	485.228152	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1027852"	185.055652	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1250711"	379.091385	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1318628"	381.147372	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1333572"	403.129329	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"926334"	413.158086	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1303163"	449.134764	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1376586"	265.159824	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1383875"	283.1698	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"288307"	601.352276	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"678541"	901.524776	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1352703"	301.179776	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"125713"	301.179776	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"569524"	451.266026	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1042698"	151.093526	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"209505"	201.122276	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"650160"	301.179776	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1170472"	101.064776	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"427185"	618.378823	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"789273"	918.551323	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1685605"	318.206323	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"330269"	309.6930495	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"724238"	459.7792995	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1481219"	159.6067995	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"404279"	623.334218	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"765277"	923.506718	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1615567"	323.161718	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"328276"	312.170747	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"720454"	462.256997	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1474034"	162.084497	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1062907"	108.39209	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1268956"	333.205986	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"388628"	639.308158	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"746342"	939.480658	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1548396"	339.135658	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"308852"	320.157717	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"704186"	470.243967	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1457275"	170.071467	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"248794"	642.378826	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1217492"	342.206326	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1203560"	171.606801	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"191695"	645.31616	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"631621"	945.48866	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1135491"	345.14366	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"173141"	323.161718	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"616519"	473.247968	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1120390"	173.075468	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1406100"	115.719404	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1433113"	347.185246	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"223175"	328.19474	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1513790"	361.23729	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"422958"	331.148688	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"783233"	481.234938	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1681162"	181.062438	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"263536"	664.360768	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1238068"	364.188268	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1724403"	364.211793	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1188660"	123.046718	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1661834"	369.167188	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"170518"	677.26404	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"608254"	977.43654	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1096414"	377.09154	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"154685"	339.135658	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"594609"	489.221908	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1082888"	189.049408	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1109051"	379.106092	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1342154"	379.193707	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1012871"	383.232876	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1533183"	384.226508	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"999631"	192.120076	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1596323"	385.141128	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1416516"	415.172638	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1148261"	212.633351	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1697057"	432.199185	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1644039"	437.15458	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1581878"	453.12852	"C15386"	"D-Homo-17a-oxaandrosta-46-diene-317-dione"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"805681"	332.1424	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M"	0
"980311"	313.12401	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-H2O-H"	-19.01839
"69645"	220.420990666667	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M-3H"	-3.021828
"509206"	331.135124	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M-3H"	-3.021828
"888101"	109.706857333333	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-3H"	-3.021828
"8865"	331.135124	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M-2H"	-2.014552
"445145"	497.206324	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M-2H"	-2.014552
"828415"	165.063924	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-2H"	-2.014552
"90958"	663.277524	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M-H"	-1.007276
"522501"	995.419924	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M-H"	-1.007276
"901395"	331.135124	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-H"	-1.007276
"55769"	680.304071	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M-2H+NH4"	16.019271
"488279"	1012.446471	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M-2H+NH4"	16.019271
"865722"	348.161671	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-2H+NH4"	16.019271
"32649"	685.259466	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M-2H+Na"	20.974666
"483152"	1017.401866	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M-2H+Na"	20.974666
"861682"	353.117066	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-2H+Na"	20.974666
"1632800"	353.117066	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Na-2H"	20.974666
"109909"	349.123463	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M-H+Cl"	33.962126
"549792"	515.194663	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M-H+Cl"	33.962126
"942414"	183.052263	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-H+Cl"	33.962126
"282428"	699.254202	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+Cl"	34.969402
"675565"	1031.396602	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+Cl"	34.969402
"1286758"	367.111802	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Cl"	34.969402
"29312"	701.233406	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M-2H+K"	36.948606
"469238"	1033.375806	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M-2H+K"	36.948606
"846310"	369.091006	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-2H+K"	36.948606
"1568341"	369.091006	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+K-2H"	36.948606
"953309"	377.140594	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-H+HCOOH"	44.998194
"369336"	709.283001	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+HCOOH-H"	44.998201
"354317"	723.298651	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+Hac-H"	59.013851
"1499868"	391.156251	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Hac-H"	59.013851
"968504"	399.122551	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-H+NaCOOH"	66.980151
"123245"	367.111802	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+2Cl"	69.938804
"556972"	533.183002	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+2Cl"	69.938804
"1034890"	201.040602	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2Cl"	69.938804
"1253737"	411.061285	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Br"	78.918885
"1318739"	413.117272	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Cl+HCOOH"	80.974872
"1331861"	435.099229	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Cl+NaCOOH"	102.956829
"926447"	445.127986	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M-H+CF3COOH"	112.985586
"1303764"	481.104664	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Cl+CF3COOH"	148.962264
"1379977"	297.129724	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H-2H2O"	-35.012676
"1385449"	315.1397	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H-H2O"	-17.0027
"290605"	665.292076	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+H"	1.007276
"683025"	997.434476	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+H"	1.007276
"1353906"	333.149676	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H"	1.007276
"132263"	333.149676	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+2H"	2.014552
"574009"	499.220876	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+2H"	2.014552
"1044996"	167.078476	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2H"	2.014552
"216178"	222.435542666667	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+3H"	3.021828
"656832"	333.149676	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+3H"	3.021828
"1172769"	111.721409333333	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+3H"	3.021828
"433855"	682.318623	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+NH4"	18.033823
"793756"	1014.461023	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+NH4"	18.033823
"1684255"	350.176223	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+NH4"	18.033823
"331072"	341.6629495	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+H+NH4"	19.041099
"729693"	507.7341495	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+H+NH4"	19.041099
"1481325"	175.5917495	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H+NH4"	19.041099
"401106"	687.274018	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+Na"	22.989218
"766848"	1019.416418	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+Na"	22.989218
"1616041"	355.131618	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Na"	22.989218
"328873"	344.140647	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+H+Na"	23.996494
"720687"	510.211847	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+H+Na"	23.996494
"1474516"	178.069447	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H+Na"	23.996494
"1067273"	119.048723333333	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2H+Na"	25.00377
"1270165"	365.175886	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+CH3OH+H"	33.033486
"389835"	703.247958	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+K"	38.963158
"751921"	1035.390358	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+K"	38.963158
"1552151"	371.105558	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+K"	38.963158
"311150"	352.127617	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+H+K"	39.970434
"705025"	518.198817	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+H+K"	39.970434
"1457384"	186.056417	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H+K"	39.970434
"248906"	706.318626	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+ACN+H"	42.033826
"1217602"	374.176226	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+ACN+H"	42.033826
"1203670"	187.591751	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+ACN+2H"	43.041102
"194357"	709.25596	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+2Na-H"	44.97116
"639386"	1041.39836	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+2Na-H"	44.97116
"1140704"	377.11356	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2Na-H"	44.97116
"180714"	355.131618	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+2Na"	45.978436
"621732"	521.202818	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+2Na"	45.978436
"1121593"	189.060418	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2Na"	45.978436
"1406938"	126.376037333333	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H+2Na"	46.985712
"1435410"	379.155146	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H+HCOOH"	47.012746
"223285"	360.16464	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+3H2O+2H"	56.04448
"1510619"	393.20719	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+IsoProp+H"	61.06479
"415777"	363.118588	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+Na+K"	61.952376
"784803"	529.189788	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+Na+K"	61.952376
"1680896"	197.047388	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Na+K"	61.952376
"264739"	728.300568	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+ACN+Na"	64.015768
"1238545"	396.158168	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+ACN+Na"	64.015768
"1723057"	396.181693	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+NH4+HCOOH"	64.039293
"1186951"	133.703351333333	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+3Na"	68.967654
"1659762"	401.137088	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Na+HCOOH"	68.994688
"167350"	741.20384	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+2K-H"	76.91904
"608366"	1073.34624	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+2K-H"	76.91904
"1095432"	409.06144	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2K-H"	76.91904
"152976"	371.105558	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"2M+2K"	77.926316
"592532"	537.176758	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"3M+2K"	77.926316
"1081782"	205.034358	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2K"	77.926316
"1108068"	411.075992	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2K+H"	78.933592
"1345544"	411.163607	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+DMSO+H"	79.021207
"1011888"	415.202776	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2ACN+H"	83.060376
"1532200"	416.196408	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+IsoProp+Na+H"	84.054008
"999741"	208.105026	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+2ACN+2H"	84.067652
"1590965"	417.111028	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+K+HCOOH"	84.968628
"1415775"	447.142538	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+H+CF3COOH"	115.000138
"1149100"	228.618301	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+3ACN+2H"	125.094202
"1697235"	464.169085	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+NH4+CF3COOH"	132.026685
"1646336"	469.12448	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+Na+CF3COOH"	136.98208
"1581988"	485.09842	"C15387"	"1-Dehydro-9-fluoro-11-oxotestololactone"	"C19H21FO4"	"332.1424"	"M+K+CF3COOH"	152.95602
"809072"	312.2089	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M"	0
"975317"	293.19051	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-H2O-H"	-19.01839
"66475"	207.131990666667	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M-3H"	-3.021828
"508223"	311.201624	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M-3H"	-3.021828
"886025"	103.062357333333	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-3H"	-3.021828
"5696"	311.201624	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M-2H"	-2.014552
"445256"	467.306074	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M-2H"	-2.014552
"825246"	155.097174	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-2H"	-2.014552
"79525"	623.410524	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M-H"	-1.007276
"522612"	935.619424	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M-H"	-1.007276
"897376"	311.201624	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-H"	-1.007276
"49683"	640.437071	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M-2H+NH4"	16.019271
"487658"	952.645971	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M-2H+NH4"	16.019271
"865587"	328.228171	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-2H+NH4"	16.019271
"32507"	645.392466	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M-2H+Na"	20.974666
"483990"	957.601366	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M-2H+Na"	20.974666
"861791"	333.183566	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-2H+Na"	20.974666
"1630234"	333.183566	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Na-2H"	20.974666
"109082"	329.189963	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M-H+Cl"	33.962126
"549575"	485.294413	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M-H+Cl"	33.962126
"942038"	173.085513	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-H+Cl"	33.962126
"282418"	659.387202	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+Cl"	34.969402
"675326"	971.596102	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+Cl"	34.969402
"1287474"	347.178302	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Cl"	34.969402
"28333"	661.366406	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M-2H+K"	36.948606
"468619"	973.575306	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M-2H+K"	36.948606
"846056"	349.157506	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-2H+K"	36.948606
"1565536"	349.157506	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+K-2H"	36.948606
"950140"	357.207094	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-H+HCOOH"	44.998194
"369446"	669.416001	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+HCOOH-H"	44.998201
"354427"	683.431651	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+Hac-H"	59.013851
"1499978"	371.222751	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Hac-H"	59.013851
"968614"	379.189051	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-H+NaCOOH"	66.980151
"122626"	347.178302	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+2Cl"	69.938804
"555989"	503.282752	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+2Cl"	69.938804
"1030259"	191.073852	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2Cl"	69.938804
"1249836"	391.127785	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Br"	78.918885
"1318480"	393.183772	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Cl+HCOOH"	80.974872
"1331971"	415.165729	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Cl+NaCOOH"	102.956829
"926807"	425.194486	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M-H+CF3COOH"	112.985586
"1303020"	461.171164	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Cl+CF3COOH"	148.962264
"1381668"	277.196224	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H-2H2O"	-35.012676
"1387746"	295.2062	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H-H2O"	-17.0027
"290715"	625.425076	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+H"	1.007276
"683135"	937.633976	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+H"	1.007276
"1357297"	313.216176	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H"	1.007276
"134560"	313.216176	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+2H"	2.014552
"574119"	469.320626	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+2H"	2.014552
"1046200"	157.111726	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2H"	2.014552
"217381"	209.146542666667	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+3H"	3.021828
"656942"	313.216176	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+3H"	3.021828
"1172879"	105.076909333333	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+3H"	3.021828
"433965"	642.451623	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+NH4"	18.033823
"793866"	954.660523	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+NH4"	18.033823
"1684001"	330.242723	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+NH4"	18.033823
"330575"	321.7294495	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+H+NH4"	19.041099
"729803"	477.8338995	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+H+NH4"	19.041099
"1478641"	165.6249995	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H+NH4"	19.041099
"396109"	647.407018	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+Na"	22.989218
"762212"	959.615918	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+Na"	22.989218
"1615787"	335.198118	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Na"	22.989218
"326917"	324.207147	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+H+Na"	23.996494
"718244"	480.311597	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+H+Na"	23.996494
"1475346"	168.102697	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H+Na"	23.996494
"1066774"	112.404223333333	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2H+Na"	25.00377
"1271003"	345.242386	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+CH3OH+H"	33.033486
"391404"	663.380958	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+K"	38.963158
"752394"	975.589858	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+K"	38.963158
"1554447"	351.172058	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+K"	38.963158
"311258"	332.194117	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+H+K"	39.970434
"704770"	488.298567	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+H+K"	39.970434
"1454215"	176.089667	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H+K"	39.970434
"248285"	666.451626	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+ACN+H"	42.033826
"1213703"	354.242726	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+ACN+H"	42.033826
"1201593"	177.625001	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+ACN+2H"	43.041102
"190456"	669.38896	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+2Na-H"	44.97116
"638403"	981.59786	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+2Na-H"	44.97116
"1140814"	357.18006	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2Na-H"	44.97116
"180459"	335.198118	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+2Na"	45.978436
"622206"	491.302568	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+2Na"	45.978436
"1121703"	179.093668	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2Na"	45.978436
"1407048"	119.731537333333	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H+2Na"	46.985712
"1433697"	359.221646	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H+HCOOH"	47.012746
"223395"	340.23114	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+3H2O+2H"	56.04448
"1509634"	373.27369	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+IsoProp+H"	61.06479
"410419"	343.185088	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+Na+K"	61.952376
"783820"	499.289538	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+Na+K"	61.952376
"1681127"	187.080638	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Na+K"	61.952376
"264850"	688.433568	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+ACN+Na"	64.015768
"1240601"	376.224668	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+ACN+Na"	64.015768
"1726084"	376.248193	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+NH4+HCOOH"	64.039293
"1189251"	127.058851333333	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+3Na"	68.967654
"1659872"	381.203588	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Na+HCOOH"	68.994688
"168555"	701.33684	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+2K-H"	76.91904
"608111"	1013.54574	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+2K-H"	76.91904
"1097000"	389.12794	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2K-H"	76.91904
"154544"	351.172058	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"2M+2K"	77.926316
"592642"	507.276508	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"3M+2K"	77.926316
"1082256"	195.067608	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2K"	77.926316
"1104897"	391.142492	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2K+H"	78.933592
"1344561"	391.230107	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+DMSO+H"	79.021207
"1011998"	395.269276	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2ACN+H"	83.060376
"1531216"	396.262908	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+IsoProp+Na+H"	84.054008
"997664"	198.138276	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+2ACN+2H"	84.067652
"1591075"	397.177528	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+K+HCOOH"	84.968628
"1415277"	427.209038	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+H+CF3COOH"	115.000138
"1152493"	218.651551	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+3ACN+2H"	125.094202
"1697058"	444.235585	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+NH4+CF3COOH"	132.026685
"1646446"	449.19098	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+Na+CF3COOH"	136.98208
"1582098"	465.16492	"C15388"	"3-Methoxy-19-nor-17alpha-pregna-135(10)20-tetraen-17-ol;17-Vinylestradiol 3-methyl ether"	"C21H28O2"	"312.2089"	"M+K+CF3COOH"	152.95602
"805902"	336.0909	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M"	0
"976520"	317.07251	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-H2O-H"	-19.01839
"65855"	223.053324	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M-3H"	-3.021828
"508333"	335.083624	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M-3H"	-3.021828
"887229"	111.023024	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-3H"	-3.021828
"5806"	335.083624	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M-2H"	-2.014552
"445367"	503.129074	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M-2H"	-2.014552
"823169"	167.038174	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-2H"	-2.014552
"80609"	671.174524	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M-H"	-1.007276
"520900"	1007.265424	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M-H"	-1.007276
"895700"	335.083624	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-H"	-1.007276
"47356"	688.201071	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M-2H+NH4"	16.019271
"487279"	1024.291971	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M-2H+NH4"	16.019271
"864469"	352.110171	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-2H+NH4"	16.019271
"31659"	693.156466	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M-2H+Na"	20.974666
"484100"	1029.247366	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M-2H+Na"	20.974666
"857527"	357.065566	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-2H+Na"	20.974666
"1630342"	357.065566	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Na-2H"	20.974666
"105780"	353.071963	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M-H+Cl"	33.962126
"548379"	521.117413	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M-H+Cl"	33.962126
"941408"	185.026513	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-H+Cl"	33.962126
"278506"	707.151202	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+Cl"	34.969402
"675554"	1043.242102	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+Cl"	34.969402
"1284425"	371.060302	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Cl"	34.969402
"28806"	709.130406	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M-2H+K"	36.948606
"467636"	1045.221306	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M-2H+K"	36.948606
"841063"	373.039506	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-2H+K"	36.948606
"1562366"	373.039506	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+K-2H"	36.948606
"946968"	381.089094	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-H+HCOOH"	44.998194
"363724"	717.180001	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+HCOOH-H"	44.998201
"351255"	731.195651	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+Hac-H"	59.013851
"1496805"	395.104751	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Hac-H"	59.013851
"965443"	403.071051	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-H+NaCOOH"	66.980151
"114350"	371.060302	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+2Cl"	69.938804
"553913"	539.105752	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+2Cl"	69.938804
"1032191"	203.014852	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2Cl"	69.938804
"1243385"	415.009785	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Br"	78.918885
"1309113"	417.065772	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Cl+HCOOH"	80.974872
"1332444"	439.047729	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Cl+NaCOOH"	102.956829
"919859"	449.076486	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M-H+CF3COOH"	112.985586
"1299485"	485.053164	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Cl+CF3COOH"	148.962264
"1379833"	301.078224	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H-2H2O"	-35.012676
"1390043"	319.0882	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H-H2O"	-17.0027
"296292"	673.189076	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+H"	1.007276
"683245"	1009.279976	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+H"	1.007276
"1354491"	337.098176	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H"	1.007276
"131390"	337.098176	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+2H"	2.014552
"570949"	505.143626	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+2H"	2.014552
"1046311"	169.052726	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2H"	2.014552
"217491"	225.067876	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+3H"	3.021828
"654866"	337.098176	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+3H"	3.021828
"1171896"	113.037576	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+3H"	3.021828
"430795"	690.215623	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+NH4"	18.033823
"792883"	1026.306523	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+NH4"	18.033823
"1682288"	354.124723	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+NH4"	18.033823
"330319"	345.6114495	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+H+NH4"	19.041099
"729913"	513.6568995	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+H+NH4"	19.041099
"1477027"	177.5659995	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H+NH4"	19.041099
"394394"	695.171018	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+Na"	22.989218
"756486"	1031.261918	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+Na"	22.989218
"1614436"	359.080118	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Na"	22.989218
"328121"	348.089147	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+H+Na"	23.996494
"720178"	516.134597	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+H+Na"	23.996494
"1472175"	180.043697	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H+Na"	23.996494
"1067246"	120.36489	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2H+Na"	25.00377
"1271111"	369.124386	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+CH3OH+H"	33.033486
"391145"	711.144958	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+K"	38.963158
"752868"	1047.235858	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+K"	38.963158
"1554922"	375.054058	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+K"	38.963158
"312460"	356.076117	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+H+K"	39.970434
"699412"	524.121567	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+H+K"	39.970434
"1454323"	188.030667	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H+K"	39.970434
"245113"	714.215626	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+ACN+H"	42.033826
"1214539"	378.124726	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+ACN+H"	42.033826
"1200610"	189.566001	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+ACN+2H"	43.041102
"190079"	717.15296	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+2Na-H"	44.97116
"631950"	1053.24386	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+2Na-H"	44.97116
"1138372"	381.06206	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2Na-H"	44.97116
"180569"	359.080118	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+2Na"	45.978436
"621222"	527.125568	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+2Na"	45.978436
"1122906"	191.034668	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2Na"	45.978436
"1403878"	127.692204	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H+2Na"	46.985712
"1433078"	383.103646	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H+HCOOH"	47.012746
"224233"	364.11314	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+3H2O+2H"	56.04448
"1510108"	397.15569	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+IsoProp+H"	61.06479
"411985"	367.067088	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+Na+K"	61.952376
"781373"	535.112538	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+Na+K"	61.952376
"1680502"	199.021638	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Na+K"	61.952376
"265809"	736.197568	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+ACN+Na"	64.015768
"1240911"	400.106668	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+ACN+Na"	64.015768
"1726922"	400.130193	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+NH4+HCOOH"	64.039293
"1191183"	135.019518	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+3Na"	68.967654
"1662897"	405.085588	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Na+HCOOH"	68.994688
"170851"	749.10084	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+2K-H"	76.91904
"611503"	1085.19174	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+2K-H"	76.91904
"1097840"	413.00994	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2K-H"	76.91904
"155990"	375.054058	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"2M+2K"	77.926316
"589472"	543.099508	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"3M+2K"	77.926316
"1082366"	207.008608	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2K"	77.926316
"1107193"	415.024492	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2K+H"	78.933592
"1345764"	415.112107	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+DMSO+H"	79.021207
"1012107"	419.151276	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2ACN+H"	83.060376
"1532419"	420.144908	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+IsoProp+Na+H"	84.054008
"998867"	210.079276	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+2ACN+2H"	84.067652
"1592278"	421.059528	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+K+HCOOH"	84.968628
"1416846"	451.091038	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+H+CF3COOH"	115.000138
"1152603"	230.592551	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+3ACN+2H"	125.094202
"1698505"	468.117585	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+NH4+CF3COOH"	132.026685
"1646556"	473.07298	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+Na+CF3COOH"	136.98208
"1582208"	489.04692	"C15389"	"44-Stilbenedicarboxamidine dihydrochloride;Stilbamidine dihydrochloride"	"C16H16N42HCl"	"336.0909"	"M+K+CF3COOH"	152.95602
"801757"	366.1323	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M"	0
"979549"	347.11391	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-H2O-H"	-19.01839
"69977"	243.080924	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M-3H"	-3.021828
"509537"	365.125024	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M-3H"	-3.021828
"886246"	121.036824	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-3H"	-3.021828
"4822"	365.125024	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M-2H"	-2.014552
"445478"	548.191174	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M-2H"	-2.014552
"817809"	182.058874	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-2H"	-2.014552
"81082"	731.257324	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M-H"	-1.007276
"520156"	1097.389624	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M-H"	-1.007276
"895693"	365.125024	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-H"	-1.007276
"47215"	748.283871	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M-2H+NH4"	16.019271
"487137"	1114.416171	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M-2H+NH4"	16.019271
"864238"	382.151571	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-2H+NH4"	16.019271
"31454"	753.239266	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M-2H+Na"	20.974666
"477648"	1119.371566	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M-2H+Na"	20.974666
"857637"	387.106966	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-2H+Na"	20.974666
"1626077"	387.106966	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Na-2H"	20.974666
"106619"	383.113363	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M-H+Cl"	33.962126
"548366"	566.179513	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M-H+Cl"	33.962126
"941151"	200.047213	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-H+Cl"	33.962126
"280437"	767.234002	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+Cl"	34.969402
"675130"	1133.366302	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+Cl"	34.969402
"1283442"	401.101702	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Cl"	34.969402
"27092"	769.213206	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M-2H+K"	36.948606
"462278"	1135.345506	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M-2H+K"	36.948606
"842266"	403.080906	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-2H+K"	36.948606
"1560288"	403.080906	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+K-2H"	36.948606
"944891"	411.130494	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-H+HCOOH"	44.998194
"366383"	777.262801	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+HCOOH-H"	44.998201
"349178"	791.278451	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+Hac-H"	59.013851
"1496915"	425.146151	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Hac-H"	59.013851
"965553"	433.112451	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-H+NaCOOH"	66.980151
"115553"	401.101702	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+2Cl"	69.938804
"552928"	584.167852	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+2Cl"	69.938804
"1023914"	218.035552	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2Cl"	69.938804
"1247865"	445.051185	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Br"	78.918885
"1307033"	447.107172	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Cl+HCOOH"	80.974872
"1332188"	469.089129	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Cl+NaCOOH"	102.956829
"923249"	479.117886	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M-H+CF3COOH"	112.985586
"1299595"	515.094564	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Cl+CF3COOH"	148.962264
"1378850"	331.119624	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H-2H2O"	-35.012676
"1395622"	349.1296	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H-H2O"	-17.0027
"298107"	733.271876	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+H"	1.007276
"689918"	1099.404176	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+H"	1.007276
"1353872"	367.139576	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H"	1.007276
"134780"	367.139576	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+2H"	2.014552
"574340"	550.205726	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+2H"	2.014552
"1047514"	184.073426	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2H"	2.014552
"218332"	245.095476	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+3H"	3.021828
"656069"	367.139576	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+3H"	3.021828
"1172006"	123.051376	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+3H"	3.021828
"431998"	750.298423	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+NH4"	18.033823
"794086"	1116.430723	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+NH4"	18.033823
"1689323"	384.166123	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+NH4"	18.033823
"330225"	375.6528495	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+H+NH4"	19.041099
"724067"	558.7189995	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+H+NH4"	19.041099
"1478739"	192.5866995	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H+NH4"	19.041099
"394140"	755.253818	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+Na"	22.989218
"756231"	1121.386118	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+Na"	22.989218
"1613813"	389.121518	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Na"	22.989218
"327503"	378.130547	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+H+Na"	23.996494
"719924"	561.196697	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+H+Na"	23.996494
"1472285"	195.064397	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H+Na"	23.996494
"1066625"	130.37869	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2H+Na"	25.00377
"1271584"	399.165786	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+CH3OH+H"	33.033486
"392231"	771.227758	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+K"	38.963158
"753710"	1137.360058	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+K"	38.963158
"1555399"	405.095458	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+K"	38.963158
"314239"	386.117517	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+H+K"	39.970434
"701709"	569.183667	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+H+K"	39.970434
"1455527"	203.051367	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H+K"	39.970434
"246316"	774.298426	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+ACN+H"	42.033826
"1214650"	408.166126	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+ACN+H"	42.033826
"1199627"	204.586701	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+ACN+2H"	43.041102
"191770"	777.23576	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+2Na-H"	44.97116
"631330"	1143.36806	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+2Na-H"	44.97116
"1138482"	411.10346	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2Na-H"	44.97116
"178127"	389.121518	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+2Na"	45.978436
"618052"	572.187668	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+2Na"	45.978436
"1121558"	206.055368	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2Na"	45.978436
"1406540"	137.706004	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H+2Na"	46.985712
"1433917"	413.145046	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H+HCOOH"	47.012746
"226167"	394.15454	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+3H2O+2H"	56.04448
"1511312"	427.19709	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+IsoProp+H"	61.06479
"412825"	397.108488	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+Na+K"	61.952376
"781483"	580.174638	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+Na+K"	61.952376
"1681209"	214.042338	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Na+K"	61.952376
"266405"	796.280368	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+ACN+Na"	64.015768
"1239601"	430.148068	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+ACN+Na"	64.015768
"1727757"	430.171593	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+NH4+HCOOH"	64.039293
"1192384"	145.033318	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+3Na"	68.967654
"1663368"	435.126988	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Na+HCOOH"	68.994688
"172052"	809.18364	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+2K-H"	76.91904
"610156"	1175.31594	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+2K-H"	76.91904
"1098312"	443.05134	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2K-H"	76.91904
"154394"	405.095458	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"2M+2K"	77.926316
"595415"	588.161608	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"3M+2K"	77.926316
"1078467"	222.029308	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2K"	77.926316
"1106210"	445.065892	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2K+H"	78.933592
"1345874"	445.153507	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+DMSO+H"	79.021207
"1012217"	449.192676	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2ACN+H"	83.060376
"1532529"	450.186308	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+IsoProp+Na+H"	84.054008
"998977"	225.099976	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+2ACN+2H"	84.067652
"1593481"	451.100928	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+K+HCOOH"	84.968628
"1421328"	481.132438	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+H+CF3COOH"	115.000138
"1152710"	245.613251	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+3ACN+2H"	125.094202
"1698984"	498.158985	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+NH4+CF3COOH"	132.026685
"1646666"	503.11438	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+Na+CF3COOH"	136.98208
"1582318"	519.08832	"C15390"	"1alpha5alpha-Epidithio-17a-oxa-D-homoandrostan-317-dione"	"C19H26O3S2"	"366.1323"	"M+K+CF3COOH"	152.95602
"802026"	334.2508	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M"	0
"977471"	315.23241	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H2O-H"	-19.01839
"64619"	221.826590666667	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-3H"	-3.021828
"507460"	333.243524	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-3H"	-3.021828
"883076"	110.409657333333	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-3H"	-3.021828
"8213"	333.243524	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H"	-2.014552
"445588"	500.368924	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H"	-2.014552
"817430"	166.118124	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H"	-2.014552
"79042"	667.494324	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-H"	-1.007276
"518926"	1001.745124	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-H"	-1.007276
"896001"	333.243524	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H"	-1.007276
"47692"	684.520871	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H+NH4"	16.019271
"487114"	1018.771671	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H+NH4"	16.019271
"864528"	350.270071	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H+NH4"	16.019271
"31943"	689.476266	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H+Na"	20.974666
"476665"	1023.727066	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H+Na"	20.974666
"857747"	355.225466	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H+Na"	20.974666
"1628374"	355.225466	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na-2H"	20.974666
"106001"	351.231863	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-H+Cl"	33.962126
"548843"	518.357263	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-H+Cl"	33.962126
"940535"	184.106463	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+Cl"	33.962126
"281401"	703.471002	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Cl"	34.969402
"675364"	1037.721802	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+Cl"	34.969402
"1283552"	369.220202	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl"	34.969402
"27202"	705.450206	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M-2H+K"	36.948606
"463481"	1039.701006	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M-2H+K"	36.948606
"841283"	371.199406	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-2H+K"	36.948606
"1560398"	371.199406	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K-2H"	36.948606
"945002"	379.248994	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+HCOOH"	44.998194
"363941"	713.499801	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+HCOOH-H"	44.998201
"350383"	727.515451	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Hac-H"	59.013851
"1494475"	393.264651	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Hac-H"	59.013851
"963477"	401.230951	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+NaCOOH"	66.980151
"117851"	369.220202	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2Cl"	69.938804
"555225"	536.345602	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2Cl"	69.938804
"1027304"	202.094802	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2Cl"	69.938804
"1246152"	413.169685	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Br"	78.918885
"1307142"	415.225672	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl+HCOOH"	80.974872
"1326831"	437.207629	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl+NaCOOH"	102.956829
"920079"	447.236386	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M-H+CF3COOH"	112.985586
"1299705"	483.213064	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Cl+CF3COOH"	148.962264
"1378960"	299.238124	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H-2H2O"	-35.012676
"1385888"	317.2481	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H-H2O"	-17.0027
"292138"	669.508876	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H"	1.007276
"683464"	1003.759676	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H"	1.007276
"1356534"	335.258076	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H"	1.007276
"125895"	335.258076	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2H"	2.014552
"571170"	502.383476	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2H"	2.014552
"1043250"	168.132676	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2H"	2.014552
"217711"	223.841142666667	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+3H"	3.021828
"656179"	335.258076	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+3H"	3.021828
"1172116"	112.424209333333	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+3H"	3.021828
"429924"	686.535423	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+NH4"	18.033823
"793105"	1020.786223	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+NH4"	18.033823
"1687247"	352.284623	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+NH4"	18.033823
"330340"	343.7713495	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H+NH4"	19.041099
"725031"	510.8967495	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H+NH4"	19.041099
"1478850"	176.6459495	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+NH4"	19.041099
"394978"	691.490818	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Na"	22.989218
"755612"	1025.741618	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+Na"	22.989218
"1610644"	357.240018	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na"	22.989218
"327614"	346.249047	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H+Na"	23.996494
"719671"	513.374447	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H+Na"	23.996494
"1472395"	179.123647	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+Na"	23.996494
"1064185"	119.751523333333	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2H+Na"	25.00377
"1268409"	367.284286	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+CH3OH+H"	33.033486
"389905"	707.464758	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+K"	38.963158
"750899"	1041.715558	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+K"	38.963158
"1550035"	373.213958	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K"	38.963158
"311583"	354.236017	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+H+K"	39.970434
"700724"	521.361417	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+H+K"	39.970434
"1449074"	187.110617	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+K"	39.970434
"239863"	710.535426	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+ACN+H"	42.033826
"1214761"	376.284626	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+ACN+H"	42.033826
"1199009"	188.645951	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+ACN+2H"	43.041102
"194432"	713.47276	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2Na-H"	44.97116
"634722"	1047.72356	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2Na-H"	44.97116
"1143332"	379.22196	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2Na-H"	44.97116
"181154"	357.240018	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2Na"	45.978436
"617068"	524.365418	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2Na"	45.978436
"1119846"	190.114618	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2Na"	45.978436
"1406650"	127.078837333333	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+2Na"	46.985712
"1435849"	381.263546	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+HCOOH"	47.012746
"229556"	362.27304	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+3H2O+2H"	56.04448
"1515067"	395.31559	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+IsoProp+H"	61.06479
"411842"	365.226988	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+Na+K"	61.952376
"783053"	532.352388	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+Na+K"	61.952376
"1679388"	198.101588	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na+K"	61.952376
"264445"	732.517368	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+ACN+Na"	64.015768
"1239956"	398.266568	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+ACN+Na"	64.015768
"1726045"	398.290093	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+NH4+HCOOH"	64.039293
"1189579"	134.406151333333	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+3Na"	68.967654
"1663114"	403.245488	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na+HCOOH"	68.994688
"169247"	745.42064	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2K-H"	76.91904
"610266"	1079.67144	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2K-H"	76.91904
"1095872"	411.16984	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2K-H"	76.91904
"154146"	373.213958	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"2M+2K"	77.926316
"595160"	540.339358	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"3M+2K"	77.926316
"1079672"	206.088558	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2K"	77.926316
"1104131"	413.184392	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2K+H"	78.933592
"1343798"	413.272007	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+DMSO+H"	79.021207
"1010140"	417.311176	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2ACN+H"	83.060376
"1534828"	418.304808	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+IsoProp+Na+H"	84.054008
"1003462"	209.159226	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+2ACN+2H"	84.067652
"1599058"	419.219428	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K+HCOOH"	84.968628
"1422530"	449.250938	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+H+CF3COOH"	115.000138
"1156100"	229.672501	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+3ACN+2H"	125.094202
"1698000"	466.277485	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+NH4+CF3COOH"	132.026685
"1638028"	471.23288	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+Na+CF3COOH"	136.98208
"1582428"	487.20682	"C15391"	"3alpha12alpha-Dihydroxy-5beta-pregnan-20-one"	"C21H34O3"	"334.2508"	"M+K+CF3COOH"	152.95602
"801485"	283.9926	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M"	0
"979767"	264.97421	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-H2O-H"	-19.01839
"64729"	188.321124	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M-3H"	-3.021828
"505383"	282.985324	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M-3H"	-3.021828
"887562"	93.656924	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-3H"	-3.021828
"5044"	282.985324	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M-2H"	-2.014552
"443512"	424.981624	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M-2H"	-2.014552
"818395"	140.989024	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-2H"	-2.014552
"78579"	566.977924	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M-H"	-1.007276
"520009"	850.970524	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M-H"	-1.007276
"898302"	282.985324	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-H"	-1.007276
"47315"	584.004471	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M-2H+NH4"	16.019271
"487286"	867.997071	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M-2H+NH4"	16.019271
"864561"	300.011871	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-2H+NH4"	16.019271
"32346"	588.959866	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M-2H+Na"	20.974666
"477868"	872.952466	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M-2H+Na"	20.974666
"858952"	304.967266	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-2H+Na"	20.974666
"1631402"	304.967266	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Na-2H"	20.974666
"106837"	300.973663	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M-H+Cl"	33.962126
"546397"	442.969963	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M-H+Cl"	33.962126
"938819"	158.977363	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-H+Cl"	33.962126
"279928"	602.954602	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+Cl"	34.969402
"672350"	886.947202	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+Cl"	34.969402
"1284756"	318.962002	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Cl"	34.969402
"24032"	604.933806	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M-2H+K"	36.948606
"460311"	888.926406	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M-2H+K"	36.948606
"839207"	320.941206	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-2H+K"	36.948606
"1560508"	320.941206	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+K-2H"	36.948606
"946205"	328.990794	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-H+HCOOH"	44.998194
"363325"	612.983401	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+HCOOH-H"	44.998201
"352678"	626.999051	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+Hac-H"	59.013851
"1499327"	343.006451	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Hac-H"	59.013851
"963587"	350.972751	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-H+NaCOOH"	66.980151
"116869"	318.962002	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+2Cl"	69.938804
"553877"	460.958302	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+2Cl"	69.938804
"1027776"	176.965702	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2Cl"	69.938804
"1244074"	362.911485	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Br"	78.918885
"1309074"	364.967472	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Cl+HCOOH"	80.974872
"1333141"	386.949429	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Cl+NaCOOH"	102.956829
"922377"	396.978186	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M-H+CF3COOH"	112.985586
"1299086"	432.954864	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Cl+CF3COOH"	148.962264
"1371779"	248.979924	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H-2H2O"	-35.012676
"1389277"	266.9899	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H-H2O"	-17.0027
"286775"	568.992476	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+H"	1.007276
"684670"	852.985076	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+H"	1.007276
"1354458"	284.999876	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H"	1.007276
"128803"	284.999876	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+2H"	2.014552
"570185"	426.996176	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+2H"	2.014552
"1047735"	143.003576	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2H"	2.014552
"212354"	190.335676	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+3H"	3.021828
"657381"	284.999876	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+3H"	3.021828
"1173323"	95.671476	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+3H"	3.021828
"430032"	586.019023	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+NH4"	18.033823
"789933"	870.011623	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+NH4"	18.033823
"1684442"	302.026423	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+NH4"	18.033823
"330327"	293.5131495	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+H+NH4"	19.041099
"726598"	435.5094495	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+H+NH4"	19.041099
"1478960"	151.5168495	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H+NH4"	19.041099
"396550"	590.974418	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+Na"	22.989218
"756451"	874.967018	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+Na"	22.989218
"1612940"	306.981818	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Na"	22.989218
"326633"	295.990847	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+H+Na"	23.996494
"721480"	437.987147	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+H+Na"	23.996494
"1471410"	153.994547	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H+Na"	23.996494
"1066846"	102.99879	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2H+Na"	25.00377
"1269258"	317.026086	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+CH3OH+H"	33.033486
"389290"	606.948358	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+K"	38.963158
"752472"	890.940958	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+K"	38.963158
"1554890"	322.955758	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+K"	38.963158
"312062"	303.977817	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+H+K"	39.970434
"699741"	445.974117	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+H+K"	39.970434
"1452469"	161.981517	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H+K"	39.970434
"250066"	610.019026	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+ACN+H"	42.033826
"1220341"	326.026426	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+ACN+H"	42.033826
"1204224"	163.516851	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+ACN+2H"	43.041102
"199282"	612.95636	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+2Na-H"	44.97116
"637749"	896.94896	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+2Na-H"	44.97116
"1141988"	328.96376	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2Na-H"	44.97116
"184546"	306.981818	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+2Na"	45.978436
"621920"	448.978118	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+2Na"	45.978436
"1122510"	164.985518	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2Na"	45.978436
"1402022"	110.326104	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H+2Na"	46.985712
"1433774"	331.005346	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H+HCOOH"	47.012746
"224565"	312.01484	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+3H2O+2H"	56.04448
"1510439"	345.05739	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+IsoProp+H"	61.06479
"416328"	314.968788	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+Na+K"	61.952376
"784377"	456.965088	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+Na+K"	61.952376
"1679136"	172.972488	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Na+K"	61.952376
"263104"	632.000968	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+ACN+Na"	64.015768
"1238728"	348.008368	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+ACN+Na"	64.015768
"1726155"	348.031893	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+NH4+HCOOH"	64.039293
"1190054"	117.653418	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+3Na"	68.967654
"1663224"	352.987288	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Na+HCOOH"	68.994688
"171179"	644.90424	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+2K-H"	76.91904
"611102"	928.89684	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+2K-H"	76.91904
"1098167"	360.91164	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2K-H"	76.91904
"154982"	322.955758	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"2M+2K"	77.926316
"596000"	464.952058	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"3M+2K"	77.926316
"1078688"	180.959458	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2K"	77.926316
"1110803"	362.926192	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2K+H"	78.933592
"1345000"	363.013807	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+DMSO+H"	79.021207
"1012437"	367.052976	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2ACN+H"	83.060376
"1533843"	368.046608	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+IsoProp+Na+H"	84.054008
"997010"	184.030126	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+2ACN+2H"	84.067652
"1595888"	368.961228	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+K+HCOOH"	84.968628
"1419361"	398.992738	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+H+CF3COOH"	115.000138
"1155117"	204.543401	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+3ACN+2H"	125.094202
"1706861"	416.019285	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+NH4+CF3COOH"	132.026685
"1638138"	420.97468	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+Na+CF3COOH"	136.98208
"1582538"	436.94862	"C15392"	"1-Chloro-4-(22-dichloro-1-phenylethyl)benzene;11-Dichloro-2-(p-chlorophenyl)-2-phenylethane"	"C14H11Cl3"	"283.9926"	"M+K+CF3COOH"	152.95602
"801464"	218.0498	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M"	0
"982066"	199.03141	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-H2O-H"	-19.01839
"67027"	144.359257333333	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M-3H"	-3.021828
"508775"	217.042524	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M-3H"	-3.021828
"885484"	71.6759906666667	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-3H"	-3.021828
"6247"	217.042524	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M-2H"	-2.014552
"451277"	326.067424	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M-2H"	-2.014552
"820328"	108.017624	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-2H"	-2.014552
"79591"	435.092324	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M-H"	-1.007276
"523162"	653.142124	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M-H"	-1.007276
"896711"	217.042524	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-H"	-1.007276
"48289"	452.118871	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M-2H+NH4"	16.019271
"489068"	670.168671	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M-2H+NH4"	16.019271
"864917"	234.069071	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-2H+NH4"	16.019271
"31966"	457.074266	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M-2H+Na"	20.974666
"477978"	675.124066	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M-2H+Na"	20.974666
"860157"	239.024466	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-2H+Na"	20.974666
"1626410"	239.024466	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Na-2H"	20.974666
"101845"	235.030863	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M-H+Cl"	33.962126
"544322"	344.055763	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M-H+Cl"	33.962126
"938930"	126.005963	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-H+Cl"	33.962126
"282108"	471.069002	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+Cl"	34.969402
"673917"	689.118802	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+Cl"	34.969402
"1285960"	253.019202	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Cl"	34.969402
"24144"	473.048206	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M-2H+K"	36.948606
"460421"	691.098006	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M-2H+K"	36.948606
"836764"	254.998406	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-2H+K"	36.948606
"1558428"	254.998406	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+K-2H"	36.948606
"946317"	263.047994	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-H+HCOOH"	44.998194
"363436"	481.097801	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+HCOOH-H"	44.998201
"347325"	495.113451	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+Hac-H"	59.013851
"1500535"	277.063651	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Hac-H"	59.013851
"964794"	285.029951	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-H+NaCOOH"	66.980151
"113700"	253.019202	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+2Cl"	69.938804
"552165"	362.044102	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+2Cl"	69.938804
"1025335"	143.994302	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2Cl"	69.938804
"1242732"	296.968685	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Br"	78.918885
"1306270"	299.024672	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Cl+HCOOH"	80.974872
"1333254"	321.006629	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Cl+NaCOOH"	102.956829
"923581"	331.035386	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M-H+CF3COOH"	112.985586
"1295915"	367.012064	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Cl+CF3COOH"	148.962264
"1371889"	183.037124	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H-2H2O"	-35.012676
"1387201"	201.0471	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H-H2O"	-17.0027
"285792"	437.106876	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+H"	1.007276
"680404"	655.156676	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+H"	1.007276
"1354568"	219.057076	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H"	1.007276
"134016"	219.057076	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+2H"	2.014552
"577953"	328.081976	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+2H"	2.014552
"1043471"	110.032176	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2H"	2.014552
"206998"	146.373809333333	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+3H"	3.021828
"646194"	219.057076	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+3H"	3.021828
"1166141"	73.6905426666667	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+3H"	3.021828
"425161"	454.133423	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+NH4"	18.033823
"786762"	672.183223	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+NH4"	18.033823
"1681349"	236.083623	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+NH4"	18.033823
"330514"	227.5703495	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+H+NH4"	19.041099
"723663"	336.5952495	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+H+NH4"	19.041099
"1479073"	118.5454495	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H+NH4"	19.041099
"396296"	459.088818	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+Na"	22.989218
"756562"	677.138618	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+Na"	22.989218
"1614143"	241.039018	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Na"	22.989218
"327714"	230.048047	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+H+Na"	23.996494
"719887"	339.072947	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+H+Na"	23.996494
"1469333"	121.023147	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H+Na"	23.996494
"1066591"	81.0178566666667	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2H+Na"	25.00377
"1270097"	251.083286	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+CH3OH+H"	33.033486
"390494"	475.062758	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+K"	38.963158
"753311"	693.112558	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+K"	38.963158
"1555286"	257.012958	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+K"	38.963158
"312172"	238.035017	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+H+K"	39.970434
"697665"	347.059917	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+H+K"	39.970434
"1452579"	129.010117	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H+K"	39.970434
"248840"	478.133426	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+ACN+H"	42.033826
"1218264"	260.083626	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+ACN+H"	42.033826
"1205794"	130.545451	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+ACN+2H"	43.041102
"201216"	481.07076	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+2Na-H"	44.97116
"639686"	699.12056	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+2Na-H"	44.97116
"1141368"	263.02096	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2Na-H"	44.97116
"182471"	241.039018	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+2Na"	45.978436
"619844"	350.063918	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+2Na"	45.978436
"1120434"	132.014118	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2Na"	45.978436
"1403594"	88.3451706666667	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H+2Na"	46.985712
"1442268"	265.062546	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H+HCOOH"	47.012746
"223581"	246.07204	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+3H2O+2H"	56.04448
"1515658"	279.11459	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+IsoProp+H"	61.06479
"416438"	249.025988	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+Na+K"	61.952376
"784370"	358.050888	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+Na+K"	61.952376
"1679613"	140.001088	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Na+K"	61.952376
"264673"	500.115368	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+ACN+Na"	64.015768
"1237380"	282.065568	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+ACN+Na"	64.015768
"1723716"	282.089093	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+NH4+HCOOH"	64.039293
"1189799"	95.6724846666667	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+3Na"	68.967654
"1661515"	287.044488	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Na+HCOOH"	68.994688
"168009"	513.01864	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+2K-H"	76.91904
"609756"	731.06844	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+2K-H"	76.91904
"1096453"	294.96884	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2K-H"	76.91904
"153269"	257.012958	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"2M+2K"	77.926316
"593561"	366.037858	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"3M+2K"	77.926316
"1077343"	147.988058	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2K"	77.926316
"1112010"	296.983392	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2K+H"	78.933592
"1345110"	297.071007	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+DMSO+H"	79.021207
"1010360"	301.110176	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2ACN+H"	83.060376
"1525570"	302.103808	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+IsoProp+Na+H"	84.054008
"991653"	151.058726	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+2ACN+2H"	84.067652
"1591624"	303.018428	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+K+HCOOH"	84.968628
"1423845"	333.049938	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+H+CF3COOH"	115.000138
"1151948"	171.572001	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+3ACN+2H"	125.094202
"1701502"	350.076485	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+NH4+CF3COOH"	132.026685
"1634968"	355.03188	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+Na+CF3COOH"	136.98208
"1582648"	371.00582	"C15393"	"2-Chlorobenzhydrol"	"C13H11ClO"	"218.0498"	"M+K+CF3COOH"	152.95602
"801993"	307.0456	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M"	0
"979989"	288.02721	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-H2O-H"	-19.01839
"67136"	203.689790666667	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M-3H"	-3.021828
"508885"	306.038324	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M-3H"	-3.021828
"881094"	101.341257333333	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-3H"	-3.021828
"1985"	306.038324	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M-2H"	-2.014552
"442637"	459.561124	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M-2H"	-2.014552
"818006"	152.515524	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-2H"	-2.014552
"82618"	613.083924	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M-H"	-1.007276
"520720"	920.129524	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M-H"	-1.007276
"898280"	306.038324	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-H"	-1.007276
"48644"	630.110471	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M-2H+NH4"	16.019271
"495011"	937.156071	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M-2H+NH4"	16.019271
"864542"	323.064871	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-2H+NH4"	16.019271
"35246"	635.065866	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M-2H+Na"	20.974666
"481006"	942.111466	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M-2H+Na"	20.974666
"859173"	328.020266	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-2H+Na"	20.974666
"1628706"	328.020266	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Na-2H"	20.974666
"101955"	324.026663	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M-H+Cl"	33.962126
"545524"	477.549463	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M-H+Cl"	33.962126
"933936"	170.503863	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-H+Cl"	33.962126
"279783"	649.060602	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+Cl"	34.969402
"672204"	956.106202	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+Cl"	34.969402
"1286071"	342.015002	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Cl"	34.969402
"19881"	651.039806	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M-2H+K"	36.948606
"460531"	958.085406	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M-2H+K"	36.948606
"837240"	343.994206	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-2H+K"	36.948606
"1558903"	343.994206	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+K-2H"	36.948606
"948613"	352.043794	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-H+HCOOH"	44.998194
"364275"	659.089401	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+HCOOH-H"	44.998201
"348528"	673.105051	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+Hac-H"	59.013851
"1498457"	366.059451	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Hac-H"	59.013851
"962717"	374.025751	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-H+NaCOOH"	66.980151
"111010"	342.015002	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+2Cl"	69.938804
"551546"	495.537802	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+2Cl"	69.938804
"1028724"	188.492202	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2Cl"	69.938804
"1242229"	385.964485	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Br"	78.918885
"1306383"	388.020472	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Cl+HCOOH"	80.974872
"1323882"	410.002429	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Cl+NaCOOH"	102.956829
"917126"	420.031186	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M-H+CF3COOH"	112.985586
"1298214"	456.007864	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Cl+CF3COOH"	148.962264
"1374188"	272.032924	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H-2H2O"	-35.012676
"1387311"	290.0429	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H-H2O"	-17.0027
"285901"	615.098476	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+H"	1.007276
"679420"	922.144076	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+H"	1.007276
"1355042"	308.052876	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H"	1.007276
"130846"	308.052876	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+2H"	2.014552
"575877"	461.575676	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+2H"	2.014552
"1044675"	154.530076	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2H"	2.014552
"206743"	205.704342666667	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+3H"	3.021828
"645575"	308.052876	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+3H"	3.021828
"1165887"	103.355809333333	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+3H"	3.021828
"425877"	632.125023	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+NH4"	18.033823
"787603"	939.170623	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+NH4"	18.033823
"1683325"	325.079423	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+NH4"	18.033823
"330099"	316.5661495	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+H+NH4"	19.041099
"723048"	470.0889495	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+H+NH4"	19.041099
"1478088"	163.0433495	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H+NH4"	19.041099
"399685"	637.080418	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+Na"	22.989218
"760684"	944.126018	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+Na"	22.989218
"1613160"	330.034818	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Na"	22.989218
"323204"	319.043847	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+H+Na"	23.996494
"721090"	472.566647	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+H+Na"	23.996494
"1467257"	165.521047	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H+Na"	23.996494
"1064877"	110.683123333333	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2H+Na"	25.00377
"1269475"	340.079086	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+CH3OH+H"	33.033486
"389869"	653.054358	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+K"	38.963158
"751961"	960.099958	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+K"	38.963158
"1555568"	346.008758	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+K"	38.963158
"311918"	327.030817	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+H+K"	39.970434
"697775"	480.553617	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+H+K"	39.970434
"1452689"	173.508017	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H+K"	39.970434
"250043"	656.125026	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+ACN+H"	42.033826
"1218374"	349.079426	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+ACN+H"	42.033826
"1206268"	175.043351	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+ACN+2H"	43.041102
"200962"	659.06236	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+2Na-H"	44.97116
"639796"	966.10796	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+2Na-H"	44.97116
"1141478"	352.01676	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2Na-H"	44.97116
"180395"	330.034818	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+2Na"	45.978436
"619954"	483.557618	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+2Na"	45.978436
"1120178"	176.512018	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2Na"	45.978436
"1406984"	118.010437333333	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H+2Na"	46.985712
"1442378"	354.058346	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H+HCOOH"	47.012746
"224420"	335.06784	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+3H2O+2H"	56.04448
"1516861"	368.11039	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+IsoProp+H"	61.06479
"416548"	338.021788	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+Na+K"	61.952376
"785087"	491.544588	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+Na+K"	61.952376
"1679115"	184.498988	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Na+K"	61.952376
"264782"	678.106968	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+ACN+Na"	64.015768
"1238948"	371.061368	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+ACN+Na"	64.015768
"1725282"	371.084893	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+NH4+HCOOH"	64.039293
"1189544"	125.337751333333	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+3Na"	68.967654
"1661256"	376.040288	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Na+HCOOH"	68.994688
"169576"	691.01024	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+2K-H"	76.91904
"610594"	998.05584	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+2K-H"	76.91904
"1098022"	383.96464	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2K-H"	76.91904
"154839"	346.008758	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"2M+2K"	77.926316
"594400"	499.531558	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"3M+2K"	77.926316
"1077453"	192.485958	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2K"	77.926316
"1110297"	385.979192	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2K+H"	78.933592
"1345220"	386.066807	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+DMSO+H"	79.021207
"1011563"	390.105976	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2ACN+H"	83.060376
"1527502"	391.099608	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+IsoProp+Na+H"	84.054008
"991883"	195.556626	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+2ACN+2H"	84.067652
"1591734"	392.014228	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+K+HCOOH"	84.968628
"1428328"	422.045738	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+H+CF3COOH"	115.000138
"1154242"	216.069901	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+3ACN+2H"	125.094202
"1701612"	439.072285	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+NH4+CF3COOH"	132.026685
"1635078"	444.02768	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+Na+CF3COOH"	136.98208
"1582758"	460.00162	"C15394"	"222-Trifluoro-N-(6-oxo-6H-dibenzobdpyran-2-yl)acetamide;6-(222-Trifluoroacetamide)-34-benzocoumarin"	"C15H8F3NO3"	"307.0456"	"M+K+CF3COOH"	152.95602
"804374"	288.2089	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M"	0
"977181"	269.19051	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H2O-H"	-19.01839
"68339"	191.131990666667	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-3H"	-3.021828
"505713"	287.201624	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-3H"	-3.021828
"881326"	95.0623573333333	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-3H"	-3.021828
"6466"	287.201624	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H"	-2.014552
"446028"	431.306074	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H"	-2.014552
"819818"	143.097174	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H"	-2.014552
"78796"	575.410524	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-H"	-1.007276
"520830"	863.619424	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-H"	-1.007276
"897903"	287.201624	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H"	-1.007276
"50820"	592.437071	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H+NH4"	16.019271
"495121"	880.645971	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H+NH4"	16.019271
"864659"	304.228171	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H+NH4"	16.019271
"35356"	597.392466	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H+Na"	20.974666
"483303"	885.601366	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H+Na"	20.974666
"854909"	309.183566	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H+Na"	20.974666
"1632462"	309.183566	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na-2H"	20.974666
"102064"	305.189963	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-H+Cl"	33.962126
"542718"	449.294413	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-H+Cl"	33.962126
"932951"	161.085513	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+Cl"	33.962126
"274791"	611.387202	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Cl"	34.969402
"672315"	899.596102	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+Cl"	34.969402
"1283994"	323.178302	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl"	34.969402
"25458"	613.366406	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M-2H+K"	36.948606
"461735"	901.575306	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M-2H+K"	36.948606
"839536"	325.157506	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-2H+K"	36.948606
"1560838"	325.157506	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K-2H"	36.948606
"948721"	333.207094	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+HCOOH"	44.998194
"362318"	621.416001	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+HCOOH-H"	44.998201
"351915"	635.431651	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Hac-H"	59.013851
"1499659"	347.222751	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Hac-H"	59.013851
"962827"	355.189051	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+NaCOOH"	66.980151
"110271"	323.178302	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2Cl"	69.938804
"551291"	467.282752	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2Cl"	69.938804
"1022641"	179.073852	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2Cl"	69.938804
"1242217"	367.127785	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Br"	78.918885
"1306493"	369.183772	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl+HCOOH"	80.974872
"1322899"	391.165729	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl+NaCOOH"	102.956829
"918329"	401.194486	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M-H+CF3COOH"	112.985586
"1298324"	437.171164	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Cl+CF3COOH"	148.962264
"1374298"	253.196224	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H-2H2O"	-35.012676
"1387421"	271.2062	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H-H2O"	-17.0027
"289292"	577.425076	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H"	1.007276
"678435"	865.633976	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H"	1.007276
"1353328"	289.216176	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H"	1.007276
"130956"	289.216176	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2H"	2.014552
"569787"	433.320626	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2H"	2.014552
"1045877"	145.111726	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2H"	2.014552
"210499"	193.146542666667	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+3H"	3.021828
"646414"	289.216176	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+3H"	3.021828
"1167090"	97.0769093333333	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+3H"	3.021828
"424647"	594.451623	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+NH4"	18.033823
"790631"	882.660523	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+NH4"	18.033823
"1685137"	306.242723	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+NH4"	18.033823
"330332"	297.7294495	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H+NH4"	19.041099
"723037"	441.8338995	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H+NH4"	19.041099
"1481117"	153.6249995	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+NH4"	19.041099
"397609"	599.407018	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Na"	22.989218
"759699"	887.615918	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+Na"	22.989218
"1614363"	311.198118	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na"	22.989218
"325500"	300.207147	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H+Na"	23.996494
"717920"	444.311597	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H+Na"	23.996494
"1467367"	156.102697	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+Na"	23.996494
"1066812"	104.404223333333	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2H+Na"	25.00377
"1270677"	321.242386	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+CH3OH+H"	33.033486
"391562"	615.380958	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+K"	38.963158
"750975"	903.589858	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+K"	38.963158
"1555457"	327.172058	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K"	38.963158
"310569"	308.194117	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+H+K"	39.970434
"697885"	452.298567	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+H+K"	39.970434
"1452799"	164.089667	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+K"	39.970434
"249787"	618.451626	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+ACN+H"	42.033826
"1221038"	330.242726	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+ACN+H"	42.033826
"1206016"	165.625001	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+ACN+2H"	43.041102
"197427"	621.38896	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2Na-H"	44.97116
"639542"	909.59786	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2Na-H"	44.97116
"1142684"	333.18006	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2Na-H"	44.97116
"184152"	311.198118	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2Na"	45.978436
"618241"	455.302568	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2Na"	45.978436
"1121382"	167.093668	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2Na"	45.978436
"1408187"	111.731537333333	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+2Na"	46.985712
"1437021"	335.221646	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+HCOOH"	47.012746
"224530"	316.23114	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+3H2O+2H"	56.04448
"1516971"	349.27369	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+IsoProp+H"	61.06479
"416658"	319.185088	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+Na+K"	61.952376
"785613"	463.289538	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+Na+K"	61.952376
"1680196"	175.080638	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na+K"	61.952376
"264892"	640.433568	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+ACN+Na"	64.015768
"1240639"	352.224668	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+ACN+Na"	64.015768
"1726488"	352.248193	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+NH4+HCOOH"	64.039293
"1192205"	119.058851333333	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+3Na"	68.967654
"1662824"	357.203588	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na+HCOOH"	68.994688
"170415"	653.33684	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2K-H"	76.91904
"610707"	941.54574	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2K-H"	76.91904
"1097770"	365.12794	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2K-H"	76.91904
"154952"	327.172058	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"2M+2K"	77.926316
"593782"	471.276508	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"3M+2K"	77.926316
"1081209"	183.067608	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2K"	77.926316
"1111501"	367.142492	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2K+H"	78.933592
"1347518"	367.230107	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+DMSO+H"	79.021207
"1014955"	371.269276	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2ACN+H"	83.060376
"1525180"	372.262908	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+IsoProp+Na+H"	84.054008
"991995"	186.138276	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+2ACN+2H"	84.067652
"1594032"	373.177528	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K+HCOOH"	84.968628
"1424065"	403.209038	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+H+CF3COOH"	115.000138
"1158728"	206.651551	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+3ACN+2H"	125.094202
"1698802"	420.235585	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+NH4+CF3COOH"	132.026685
"1637371"	425.19098	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+Na+CF3COOH"	136.98208
"1582868"	441.16492	"C15395"	"17beta-Hydroxy-4-methylestr-4-en-3-one;4-Methyl-19-nortestosterone"	"C19H28O2"	"288.2089"	"M+K+CF3COOH"	152.95602
"812142"	308.1907	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M"	0
"976926"	289.17231	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-H2O-H"	-19.01839
"65170"	204.453190666667	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M-3H"	-3.021828
"505823"	307.183424	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M-3H"	-3.021828
"882532"	101.722957333333	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-3H"	-3.021828
"1110"	307.183424	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M-2H"	-2.014552
"445044"	461.278774	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M-2H"	-2.014552
"817123"	153.088074	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-2H"	-2.014552
"80651"	615.374124	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M-H"	-1.007276
"523493"	923.564824	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M-H"	-1.007276
"900202"	307.183424	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-H"	-1.007276
"53483"	632.400671	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M-2H+NH4"	16.019271
"498878"	940.591371	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M-2H+NH4"	16.019271
"870846"	324.209971	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-2H+NH4"	16.019271
"40570"	637.356066	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M-2H+Na"	20.974666
"479403"	945.546766	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M-2H+Na"	20.974666
"860488"	329.165366	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-2H+Na"	20.974666
"1630751"	329.165366	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Na-2H"	20.974666
"102177"	325.171763	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M-H+Cl"	33.962126
"544653"	479.267113	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M-H+Cl"	33.962126
"933064"	171.076413	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-H+Cl"	33.962126
"273808"	651.350802	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+Cl"	34.969402
"668414"	959.541502	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+Cl"	34.969402
"1284103"	343.160102	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Cl"	34.969402
"23382"	653.330006	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M-2H+K"	36.948606
"466220"	961.520706	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M-2H+K"	36.948606
"841834"	345.139306	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-2H+K"	36.948606
"1560948"	345.139306	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+K-2H"	36.948606
"948831"	353.188894	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-H+HCOOH"	44.998194
"362674"	661.379601	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+HCOOH-H"	44.998201
"353121"	675.395251	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+Hac-H"	59.013851
"1499768"	367.204551	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Hac-H"	59.013851
"962937"	375.170851	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-H+NaCOOH"	66.980151
"111844"	343.160102	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+2Cl"	69.938804
"553591"	497.255452	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+2Cl"	69.938804
"1023115"	189.064752	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2Cl"	69.938804
"1244155"	387.109585	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Br"	78.918885
"1307696"	389.165572	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Cl+HCOOH"	80.974872
"1326289"	411.147529	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Cl+NaCOOH"	102.956829
"918440"	421.176286	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M-H+CF3COOH"	112.985586
"1295154"	457.152964	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Cl+CF3COOH"	148.962264
"1374408"	273.178024	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H-2H2O"	-35.012676
"1384251"	291.188	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H-H2O"	-17.0027
"287221"	617.388676	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+H"	1.007276
"679641"	925.579376	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+H"	1.007276
"1354896"	309.197976	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H"	1.007276
"126326"	309.197976	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+2H"	2.014552
"568440"	463.293326	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+2H"	2.014552
"1041613"	155.102626	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2H"	2.014552
"209514"	206.467742666667	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+3H"	3.021828
"645796"	309.197976	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+3H"	3.021828
"1163921"	103.737509333333	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+3H"	3.021828
"424514"	634.415223	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+NH4"	18.033823
"787824"	942.605923	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+NH4"	18.033823
"1686707"	326.224523	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+NH4"	18.033823
"330012"	317.7112495	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+H+NH4"	19.041099
"722860"	471.8065995	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+H+NH4"	19.041099
"1480134"	163.6158995	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H+NH4"	19.041099
"395532"	639.370618	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+Na"	22.989218
"758715"	947.561318	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+Na"	22.989218
"1613380"	331.179918	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Na"	22.989218
"327800"	320.188947	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+H+Na"	23.996494
"718032"	474.284297	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+H+Na"	23.996494
"1473679"	166.093597	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H+Na"	23.996494
"1064733"	111.064823333333	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2H+Na"	25.00377
"1271156"	341.224186	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+CH3OH+H"	33.033486
"391553"	655.344558	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+K"	38.963158
"753888"	963.535258	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+K"	38.963158
"1555430"	347.153858	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+K"	38.963158
"313965"	328.175917	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+H+K"	39.970434
"700913"	482.271267	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+H+K"	39.970434
"1460081"	174.080567	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H+K"	39.970434
"248076"	658.415226	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+ACN+H"	42.033826
"1222242"	350.224526	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+ACN+H"	42.033826
"1204669"	175.615901	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+ACN+2H"	43.041102
"197536"	661.35256	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+2Na-H"	44.97116
"637099"	969.54326	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+2Na-H"	44.97116
"1142064"	353.16186	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2Na-H"	44.97116
"180616"	331.179918	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+2Na"	45.978436
"617988"	485.275268	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+2Na"	45.978436
"1122586"	177.084568	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2Na"	45.978436
"1407204"	118.392137333333	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H+2Na"	46.985712
"1442966"	355.203446	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H+HCOOH"	47.012746
"225736"	336.21294	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+3H2O+2H"	56.04448
"1517081"	369.25549	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+IsoProp+H"	61.06479
"416767"	339.166888	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+Na+K"	61.952376
"778859"	493.262238	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+Na+K"	61.952376
"1680546"	185.071538	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Na+K"	61.952376
"264638"	680.397168	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+ACN+Na"	64.015768
"1240262"	372.206468	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+ACN+Na"	64.015768
"1726233"	372.229993	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+NH4+HCOOH"	64.039293
"1192680"	125.719451333333	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+3Na"	68.967654
"1663298"	377.185388	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Na+HCOOH"	68.994688
"170161"	693.30044	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+2K-H"	76.91904
"611180"	1001.49114	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+2K-H"	76.91904
"1096787"	385.10974	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2K-H"	76.91904
"155791"	347.153858	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"2M+2K"	77.926316
"594986"	501.249208	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"3M+2K"	77.926316
"1082412"	193.058508	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2K"	77.926316
"1110881"	387.124292	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2K+H"	78.933592
"1347266"	387.211907	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+DMSO+H"	79.021207
"1009598"	391.251076	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2ACN+H"	83.060376
"1529909"	392.244708	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+IsoProp+Na+H"	84.054008
"993076"	196.129176	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+2ACN+2H"	84.067652
"1594143"	393.159328	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+K+HCOOH"	84.968628
"1417614"	423.190838	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+H+CF3COOH"	115.000138
"1154467"	216.642451	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+3ACN+2H"	125.094202
"1701830"	440.217385	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+NH4+CF3COOH"	132.026685
"1635298"	445.17278	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+Na+CF3COOH"	136.98208
"1582978"	461.14672	"C15396"	"3beta-Chloro-5-androsten-17beta-ol"	"C19H29ClO"	"308.1907"	"M+K+CF3COOH"	152.95602
"814439"	226.008	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M"	0
"979226"	206.98961	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-H2O-H"	-19.01839
"70749"	149.664724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M-3H"	-3.021828
"513592"	225.000724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M-3H"	-3.021828
"885927"	74.328724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-3H"	-3.021828
"5595"	225.000724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M-2H"	-2.014552
"445518"	338.004724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M-2H"	-2.014552
"831954"	111.996724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-2H"	-2.014552
"89148"	451.008724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M-H"	-1.007276
"529802"	677.016724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M-H"	-1.007276
"907239"	225.000724	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-H"	-1.007276
"56147"	468.035271	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M-2H+NH4"	16.019271
"498988"	694.043271	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M-2H+NH4"	16.019271
"877033"	242.027271	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-2H+NH4"	16.019271
"43234"	472.990666	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M-2H+Na"	20.974666
"485834"	698.998666	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M-2H+Na"	20.974666
"861329"	246.982666	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-2H+Na"	20.974666
"1631593"	246.982666	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Na-2H"	20.974666
"108853"	242.989063	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M-H+Cl"	33.962126
"546223"	355.993063	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M-H+Cl"	33.962126
"936455"	129.985063	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-H+Cl"	33.962126
"280359"	486.985402	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+Cl"	34.969402
"672907"	712.993402	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+Cl"	34.969402
"1284215"	260.977402	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Cl"	34.969402
"19119"	488.964606	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M-2H+K"	36.948606
"461955"	714.972606	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M-2H+K"	36.948606
"840852"	262.956606	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-2H+K"	36.948606
"1561059"	262.956606	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+K-2H"	36.948606
"951133"	271.006194	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-H+HCOOH"	44.998194
"363883"	497.014201	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+HCOOH-H"	44.998201
"348860"	511.029851	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+Hac-H"	59.013851
"1498787"	285.021851	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Hac-H"	59.013851
"963046"	292.988151	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-H+NaCOOH"	66.980151
"115233"	260.977402	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+2Cl"	69.938804
"555889"	373.981402	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+2Cl"	69.938804
"1023956"	147.973402	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2Cl"	69.938804
"1243537"	304.926885	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Br"	78.918885
"1312183"	306.982872	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Cl+HCOOH"	80.974872
"1325308"	328.964829	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Cl+NaCOOH"	102.956829
"915274"	338.993586	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M-H+CF3COOH"	112.985586
"1290887"	374.970264	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Cl+CF3COOH"	148.962264
"1371236"	190.995324	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H-2H2O"	-35.012676
"1387641"	209.0053	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H-H2O"	-17.0027
"288423"	453.023276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+H"	1.007276
"678658"	679.031276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+H"	1.007276
"1356098"	227.015276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H"	1.007276
"132271"	227.015276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+2H"	2.014552
"568548"	340.019276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+2H"	2.014552
"1047193"	114.011276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2H"	2.014552
"212908"	151.679276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+3H"	3.021828
"649189"	227.015276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+3H"	3.021828
"1169502"	76.343276	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+3H"	3.021828
"430588"	470.049823	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+NH4"	18.033823
"791583"	696.057823	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+NH4"	18.033823
"1690103"	244.041823	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+NH4"	18.033823
"339475"	235.5285495	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+H+NH4"	19.041099
"727522"	348.5325495	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+H+NH4"	19.041099
"1484621"	122.5245495	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H+NH4"	19.041099
"398926"	475.005218	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+Na"	22.989218
"768193"	701.013218	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+Na"	22.989218
"1616418"	248.997218	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Na"	22.989218
"327549"	238.006247	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+H+Na"	23.996494
"721917"	351.010247	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+H+Na"	23.996494
"1476342"	125.002247	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H+Na"	23.996494
"1067400"	83.67059	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2H+Na"	25.00377
"1270900"	259.041486	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+CH3OH+H"	33.033486
"390569"	490.979158	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+K"	38.963158
"752902"	716.987158	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+K"	38.963158
"1554345"	264.971158	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+K"	38.963158
"313352"	245.993217	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+H+K"	39.970434
"706907"	358.997217	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+H+K"	39.970434
"1460566"	132.989217	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H+K"	39.970434
"246001"	494.049826	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+ACN+H"	42.033826
"1221991"	268.041826	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+ACN+H"	42.033826
"1200405"	134.524551	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+ACN+2H"	43.041102
"196557"	496.98716	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+2Na-H"	44.97116
"637213"	722.99516	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+2Na-H"	44.97116
"1140717"	270.97916	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2Na-H"	44.97116
"179633"	248.997218	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+2Na"	45.978436
"619194"	362.001218	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+2Na"	45.978436
"1121606"	135.993218	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2Na"	45.978436
"1402213"	90.997904	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H+2Na"	46.985712
"1439435"	273.020746	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H+HCOOH"	47.012746
"230225"	254.03024	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+3H2O+2H"	56.04448
"1518289"	287.07279	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+IsoProp+H"	61.06479
"424061"	256.984188	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+Na+K"	61.952376
"784447"	369.988188	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+Na+K"	61.952376
"1677864"	143.980188	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Na+K"	61.952376
"262926"	516.031768	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+ACN+Na"	64.015768
"1239642"	290.023768	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+ACN+Na"	64.015768
"1727072"	290.047293	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+NH4+HCOOH"	64.039293
"1189511"	98.325218	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+3Na"	68.967654
"1661226"	295.002688	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Na+HCOOH"	68.994688
"171855"	528.93504	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+2K-H"	76.91904
"609102"	754.94304	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+2K-H"	76.91904
"1095073"	302.92704	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2K-H"	76.91904
"155534"	264.971158	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"2M+2K"	77.926316
"590721"	377.975158	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"3M+2K"	77.926316
"1077420"	151.967158	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2K"	77.926316
"1106984"	304.941592	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2K+H"	78.933592
"1344098"	305.029207	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+DMSO+H"	79.021207
"1008616"	309.068376	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2ACN+H"	83.060376
"1531118"	310.062008	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+IsoProp+Na+H"	84.054008
"997565"	155.037826	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+2ACN+2H"	84.067652
"1595349"	310.976628	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+K+HCOOH"	84.968628
"1423196"	341.008138	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+H+CF3COOH"	115.000138
"1152389"	175.551101	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+3ACN+2H"	125.094202
"1704130"	358.034685	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+NH4+CF3COOH"	132.026685
"1638684"	362.99008	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+Na+CF3COOH"	136.98208
"1583088"	378.96402	"C15397"	"6-(2-Chloroallylthio)purine"	"C8H7ClN4S"	"226.008"	"M+K+CF3COOH"	152.95602
"812361"	366.3498	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M"	0
"977147"	347.33141	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-H2O-H"	-19.01839
"64659"	243.225924	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M-3H"	-3.021828
"508233"	365.342524	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M-3H"	-3.021828
"883848"	121.109324	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-3H"	-3.021828
"4609"	365.342524	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M-2H"	-2.014552
"440645"	548.517424	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M-2H"	-2.014552
"832185"	182.167624	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-2H"	-2.014552
"89622"	731.692324	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M-H"	-1.007276
"530276"	1098.042124	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M-H"	-1.007276
"903703"	365.342524	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-H"	-1.007276
"56985"	748.718871	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M-2H+NH4"	16.019271
"500191"	1115.068671	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M-2H+NH4"	16.019271
"876535"	382.369071	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-2H+NH4"	16.019271
"43344"	753.674266	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M-2H+Na"	20.974666
"485823"	1120.024066	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M-2H+Na"	20.974666
"861439"	387.324466	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-2H+Na"	20.974666
"1632432"	387.324466	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Na-2H"	20.974666
"107141"	383.330863	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M-H+Cl"	33.962126
"546333"	566.505763	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M-H+Cl"	33.962126
"936565"	200.155963	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-H+Cl"	33.962126
"280226"	767.669002	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+Cl"	34.969402
"671925"	1134.018802	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+Cl"	34.969402
"1283232"	401.319202	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Cl"	34.969402
"21416"	769.648206	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M-2H+K"	36.948606
"459880"	1135.998006	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M-2H+K"	36.948606
"843149"	403.298406	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-2H+K"	36.948606
"1561170"	403.298406	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+K-2H"	36.948606
"943586"	411.347994	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-H+HCOOH"	44.998194
"366174"	777.697801	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+HCOOH-H"	44.998201
"350059"	791.713451	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+Hac-H"	59.013851
"1496708"	425.363651	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Hac-H"	59.013851
"963158"	433.329951	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-H+NaCOOH"	66.980151
"113156"	401.319202	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+2Cl"	69.938804
"555999"	584.494102	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+2Cl"	69.938804
"1024428"	218.144302	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2Cl"	69.938804
"1243283"	445.268685	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Br"	78.918885
"1312293"	447.324672	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Cl+HCOOH"	80.974872
"1325418"	469.306629	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Cl+NaCOOH"	102.956829
"913556"	479.335386	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M-H+CF3COOH"	112.985586
"1290629"	515.312064	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Cl+CF3COOH"	148.962264
"1369883"	331.337124	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H-2H2O"	-35.012676
"1384833"	349.3471	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H-H2O"	-17.0027
"284517"	733.706876	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+H"	1.007276
"687512"	1100.056676	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+H"	1.007276
"1361673"	367.357076	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H"	1.007276
"130193"	367.357076	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+2H"	2.014552
"569021"	550.531976	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+2H"	2.014552
"1040373"	184.182176	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2H"	2.014552
"206092"	245.240476	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+3H"	3.021828
"646016"	367.357076	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+3H"	3.021828
"1169612"	123.123876	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+3H"	3.021828
"426321"	750.733423	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+NH4"	18.033823
"790599"	1117.083223	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+NH4"	18.033823
"1682916"	384.383623	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+NH4"	18.033823
"339585"	375.8703495	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+H+NH4"	19.041099
"727632"	559.0452495	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+H+NH4"	19.041099
"1483638"	192.6954495	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H+NH4"	19.041099
"401222"	755.688818	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+Na"	22.989218
"768668"	1122.038618	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+Na"	22.989218
"1616527"	389.339018	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Na"	22.989218
"327295"	378.348047	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+H+Na"	23.996494
"720080"	561.522947	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+H+Na"	23.996494
"1476210"	195.173147	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H+Na"	23.996494
"1067998"	130.45119	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2H+Na"	25.00377
"1272468"	399.383286	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+CH3OH+H"	33.033486
"392137"	771.662758	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+K"	38.963158
"753133"	1138.012558	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+K"	38.963158
"1553605"	405.312958	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+K"	38.963158
"313828"	386.335017	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+H+K"	39.970434
"706608"	569.509917	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+H+K"	39.970434
"1460678"	203.160117	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H+K"	39.970434
"246840"	774.733426	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+ACN+H"	42.033826
"1220643"	408.383626	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+ACN+H"	42.033826
"1201609"	204.695451	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+ACN+2H"	43.041102
"196667"	777.67076	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+2Na-H"	44.97116
"637323"	1144.02056	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+2Na-H"	44.97116
"1140827"	411.32096	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2Na-H"	44.97116
"180836"	389.339018	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+2Na"	45.978436
"618210"	572.513918	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+2Na"	45.978436
"1121716"	206.164118	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2Na"	45.978436
"1403051"	137.778504	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H+2Na"	46.985712
"1441367"	413.362546	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H+HCOOH"	47.012746
"230335"	394.37204	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+3H2O+2H"	56.04448
"1519857"	427.41459	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+IsoProp+H"	61.06479
"423931"	397.325988	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+Na+K"	61.952376
"784923"	580.500888	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+Na+K"	61.952376
"1679433"	214.151088	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Na+K"	61.952376
"264857"	796.715368	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+ACN+Na"	64.015768
"1239752"	430.365568	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+ACN+Na"	64.015768
"1726940"	430.389093	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+NH4+HCOOH"	64.039293
"1190714"	145.105818	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+3Na"	68.967654
"1663157"	435.344488	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Na+HCOOH"	68.994688
"171844"	809.61864	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+2K-H"	76.91904
"609212"	1175.96844	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+2K-H"	76.91904
"1097005"	443.26884	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2K-H"	76.91904
"153821"	405.312958	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"2M+2K"	77.926316
"590831"	588.487858	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"3M+2K"	77.926316
"1072791"	222.138058	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2K"	77.926316
"1107094"	445.283392	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2K+H"	78.933592
"1344207"	445.371007	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+DMSO+H"	79.021207
"1008726"	449.410176	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2ACN+H"	83.060376
"1531228"	450.403808	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+IsoProp+Na+H"	84.054008
"997675"	225.208726	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+2ACN+2H"	84.067652
"1595459"	451.318428	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+K+HCOOH"	84.968628
"1423306"	481.349938	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+H+CF3COOH"	115.000138
"1152499"	245.722001	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+3ACN+2H"	125.094202
"1704240"	498.376485	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+NH4+CF3COOH"	132.026685
"1638794"	503.33188	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+Na+CF3COOH"	136.98208
"1583198"	519.30582	"C15398"	"1013-Dimethyl-11-docosyne-1013-diol"	"C24H46O2"	"366.3498"	"M+K+CF3COOH"	152.95602
"817039"	306.2559	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M"	0
"983819"	287.23751	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"74247"	203.163324	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"510530"	305.248624	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"893072"	101.078024	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"9094"	305.248624	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"449748"	458.376574	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"829741"	152.120674	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"86452"	611.504524	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"530386"	917.760424	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"901627"	305.248624	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"57095"	628.531071	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"496657"	934.786971	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"875187"	322.275171	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"46336"	633.486466	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"486543"	939.742366	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"863622"	327.230566	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1633359"	327.230566	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"109073"	323.236963	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"548631"	476.364913	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"939591"	170.109013	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"282119"	647.481202	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"675073"	953.737102	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1287473"	341.225302	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"28086"	649.460406	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"470805"	955.716306	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"843260"	343.204506	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1560187"	343.204506	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"944790"	351.254094	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"366285"	657.510001	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"351263"	671.525651	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1495722"	365.269751	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"961078"	373.236051	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"112536"	341.225302	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"559389"	494.353252	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1024175"	188.097352	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1245580"	385.174785	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1315683"	387.230772	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1327716"	409.212729	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"914763"	419.241486	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1293659"	455.218164	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1368171"	271.243224	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1383605"	289.2532	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"283332"	613.519076	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"678875"	919.774976	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1363970"	307.263176	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"129211"	307.263176	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"572415"	460.391126	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1040848"	154.135226	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"209848"	205.177876	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"648679"	307.263176	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1166442"	103.092576	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"427888"	630.545623	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"792895"	936.801523	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1681931"	324.289723	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"340788"	315.7764495	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"731022"	468.9043995	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1485933"	162.6484995	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"398052"	635.501018	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"757954"	941.756918	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1617609"	329.245118	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"327040"	318.254147	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"721283"	471.382097	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1476772"	165.126197	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1067829"	110.41989	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1272630"	339.289386	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"392575"	651.474958	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"753603"	957.730858	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1552010"	345.219058	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"313564"	326.241117	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"707064"	479.369067	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1460173"	173.113167	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"249135"	654.545626	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1221844"	348.289726	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1201718"	174.648501	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"190215"	657.48296	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"630504"	963.73886	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1134010"	351.22706	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"180946"	329.245118	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"618684"	482.373068	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1125107"	176.117168	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1405713"	117.747204	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1443664"	353.268646	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"230445"	334.27814	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1520331"	367.32069	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"424124"	337.232088	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"785279"	490.360038	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1680882"	184.104138	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"265336"	676.527568	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1239504"	370.271668	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1728030"	370.295193	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1193987"	125.074518	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1664484"	375.250588	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"172199"	689.43084	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"611509"	995.68674	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1097481"	383.17494	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"155999"	345.219058	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"593857"	498.347008	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1076181"	192.091108	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1108297"	385.189492	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1347961"	385.277107	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1008837"	389.316276	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1531338"	390.309908	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"998878"	195.161776	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1595569"	391.224528	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1425603"	421.256038	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1153702"	215.675051	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1707630"	438.282585	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1637812"	443.23798	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1583308"	459.21192	"C15399"	"17-Methyl-5alpha-androstane-11beta17beta-diol"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"812581"	352.1805	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M"	0
"983928"	333.16211	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-H2O-H"	-19.01839
"63055"	233.779724	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M-3H"	-3.021828
"510640"	351.173224	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M-3H"	-3.021828
"888442"	116.386224	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-3H"	-3.021828
"10298"	351.173224	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M-2H"	-2.014552
"444391"	527.263474	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M-2H"	-2.014552
"823289"	175.082974	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-2H"	-2.014552
"86562"	703.353724	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M-H"	-1.007276
"527216"	1055.534224	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M-H"	-1.007276
"899549"	351.173224	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-H"	-1.007276
"53925"	720.380271	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M-2H+NH4"	16.019271
"495673"	1072.560771	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M-2H+NH4"	16.019271
"875661"	368.199771	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-2H+NH4"	16.019271
"46814"	725.335666	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M-2H+Na"	20.974666
"485680"	1077.516166	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M-2H+Na"	20.974666
"862756"	373.155166	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-2H+Na"	20.974666
"1633709"	373.155166	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Na-2H"	20.974666
"107725"	369.161563	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M-H+Cl"	33.962126
"547647"	545.251813	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M-H+Cl"	33.962126
"939701"	193.071313	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-H+Cl"	33.962126
"277529"	739.330402	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+Cl"	34.969402
"674327"	1091.510902	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+Cl"	34.969402
"1284545"	387.149902	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Cl"	34.969402
"28196"	741.309606	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M-2H+K"	36.948606
"471035"	1093.490106	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M-2H+K"	36.948606
"843370"	389.129106	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-2H+K"	36.948606
"1560297"	389.129106	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+K-2H"	36.948606
"945993"	397.178694	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-H+HCOOH"	44.998194
"365302"	749.359201	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+HCOOH-H"	44.998201
"350280"	763.374851	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+Hac-H"	59.013851
"1495832"	411.194351	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Hac-H"	59.013851
"962281"	419.160651	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-H+NaCOOH"	66.980151
"112646"	387.149902	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+2Cl"	69.938804
"552937"	563.240152	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+2Cl"	69.938804
"1025014"	211.059652	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2Cl"	69.938804
"1245685"	431.099385	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Br"	78.918885
"1307407"	433.155372	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Cl+HCOOH"	80.974872
"1327826"	455.137329	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Cl+NaCOOH"	102.956829
"915966"	465.166086	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M-H+CF3COOH"	112.985586
"1293405"	501.142764	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Cl+CF3COOH"	148.962264
"1368282"	317.167824	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H-2H2O"	-35.012676
"1384323"	335.1778	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H-H2O"	-17.0027
"286561"	705.368276	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+H"	1.007276
"682265"	1057.548776	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+H"	1.007276
"1364080"	353.187776	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H"	1.007276
"131500"	353.187776	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+2H"	2.014552
"567781"	529.278026	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+2H"	2.014552
"1040225"	177.097526	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2H"	2.014552
"208135"	235.794276	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+3H"	3.021828
"648789"	353.187776	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+3H"	3.021828
"1166913"	118.400776	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+3H"	3.021828
"425445"	722.394823	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+NH4"	18.033823
"791912"	1074.575323	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+NH4"	18.033823
"1682770"	370.214323	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+NH4"	18.033823
"337618"	361.7010495	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+H+NH4"	19.041099
"731132"	537.7912995	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+H+NH4"	19.041099
"1487136"	185.6107995	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H+NH4"	19.041099
"395974"	727.350218	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+Na"	22.989218
"756237"	1079.530718	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+Na"	22.989218
"1617841"	375.169718	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Na"	22.989218
"327150"	364.178747	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+H+Na"	23.996494
"720301"	540.268997	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+H+Na"	23.996494
"1476550"	188.088497	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H+Na"	23.996494
"1068223"	125.72809	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2H+Na"	25.00377
"1272695"	385.213986	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+CH3OH+H"	33.033486
"390164"	743.324158	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+K"	38.963158
"753591"	1095.504658	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+K"	38.963158
"1551026"	391.143658	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+K"	38.963158
"314042"	372.165717	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+H+K"	39.970434
"706744"	548.255967	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+H+K"	39.970434
"1460891"	196.075467	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H+K"	39.970434
"249609"	746.394826	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+ACN+H"	42.033826
"1221225"	394.214326	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+ACN+H"	42.033826
"1201828"	197.610801	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+ACN+2H"	43.041102
"189961"	749.33216	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+2Na-H"	44.97116
"630978"	1101.51266	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+2Na-H"	44.97116
"1133756"	397.15166	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2Na-H"	44.97116
"178869"	375.169718	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+2Na"	45.978436
"617337"	551.259968	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+2Na"	45.978436
"1119019"	199.079468	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2Na"	45.978436
"1404366"	133.055404	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H+2Na"	46.985712
"1436483"	399.193246	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H+HCOOH"	47.012746
"228368"	380.20274	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+3H2O+2H"	56.04448
"1519711"	413.24529	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+IsoProp+H"	61.06479
"422324"	383.156688	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+Na+K"	61.952376
"784052"	559.246938	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+Na+K"	61.952376
"1678925"	207.066438	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Na+K"	61.952376
"264353"	768.376768	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+ACN+Na"	64.015768
"1238885"	416.196268	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+ACN+Na"	64.015768
"1727408"	416.219793	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+NH4+HCOOH"	64.039293
"1192395"	140.382718	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+3Na"	68.967654
"1664835"	421.175188	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Na+HCOOH"	68.994688
"171336"	781.28004	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+2K-H"	76.91904
"610524"	1133.46054	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+2K-H"	76.91904
"1096860"	429.09954	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2K-H"	76.91904
"155864"	391.143658	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"2M+2K"	77.926316
"591779"	567.233908	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"3M+2K"	77.926316
"1070580"	215.053408	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2K"	77.926316
"1105127"	431.114092	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2K+H"	78.933592
"1344791"	431.201707	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+DMSO+H"	79.021207
"1008947"	435.240876	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2ACN+H"	83.060376
"1531448"	436.234508	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+IsoProp+Na+H"	84.054008
"997895"	218.124076	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+2ACN+2H"	84.067652
"1598959"	437.149128	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+K+HCOOH"	84.968628
"1425713"	467.180638	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+H+CF3COOH"	115.000138
"1152719"	238.637351	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+3ACN+2H"	125.094202
"1707740"	484.207185	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+NH4+CF3COOH"	132.026685
"1637193"	489.16258	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+Na+CF3COOH"	136.98208
"1583418"	505.13652	"C15400"	"9-Chloro-11beta17beta-dihydroxy-17-methylandrost-4-en-3-one;9-Chloro-11beta-hydroxy-17-methyltestosterone"	"C20H29ClO3"	"352.1805"	"M+K+CF3COOH"	152.95602
"810504"	332.2351	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M"	0
"977478"	313.21671	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"63895"	220.482790666667	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"510750"	331.227824	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"888552"	109.737757333333	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"9314"	331.227824	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"443407"	497.345374	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"824492"	165.110274	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"87765"	663.462924	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"530605"	995.698024	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"900752"	331.227824	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"58407"	680.489471	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"497969"	1012.724571	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"876864"	348.254371	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"46478"	685.444866	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"485672"	1017.679966	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"862503"	353.209766	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1633009"	353.209766	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"108200"	349.216163	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"548487"	515.333713	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"938354"	183.098613	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"277639"	699.439602	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"674073"	1031.674702	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1281374"	367.204502	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"21746"	701.418806	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"462397"	1033.653906	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"843479"	369.183706	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1560407"	369.183706	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"944281"	377.233294	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"364319"	709.468401	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"348204"	723.484051	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1495213"	391.248951	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"961298"	399.215251	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"112756"	367.204502	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"554140"	533.322052	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1024395"	201.086952	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1243609"	411.153985	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1308247"	413.209972	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1327935"	435.191929	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"912066"	445.220686	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1292785"	481.197364	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1368026"	297.222424	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1382792"	315.2324	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"283065"	665.477476	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"679093"	997.712576	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1358723"	333.242376	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"133799"	333.242376	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"566798"	499.359926	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1038877"	167.124826	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"211161"	222.497342666667	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"649628"	333.242376	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1167024"	111.752309333333	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"425430"	682.504023	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"794209"	1014.739123	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1682880"	350.268923	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"337728"	341.7556495	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"730149"	507.8731995	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1485060"	175.6380995	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"394624"	687.459418	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"755985"	1019.694518	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1617466"	355.224318	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"327259"	344.233347	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"721866"	510.350897	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1476659"	178.115797	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1068450"	119.079623333333	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1269878"	365.268586	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"390274"	703.433358	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"752728"	1035.668458	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1551864"	371.198258	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"311593"	352.220317	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"706811"	518.337867	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1459662"	186.102767	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"249597"	706.504026	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1221332"	374.268926	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1207282"	187.638101	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"198087"	709.44136	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"631453"	1041.67646	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1142249"	377.20626	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"183352"	355.224318	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"618540"	521.341868	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1120586"	189.106768	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1405569"	126.406937333333	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1436593"	379.247846	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"227385"	360.25734	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1517635"	393.29989	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"422069"	363.211288	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"785132"	529.328838	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1679033"	197.093738	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"265558"	728.485968	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1239360"	396.250868	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1727966"	396.274393	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1193235"	133.734251333333	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1664946"	401.229788	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"172418"	741.38924	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"610634"	1073.62434	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1096241"	409.15414	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"156338"	371.198258	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"591889"	537.315808	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1070326"	205.080708	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1105237"	411.168692	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1348181"	411.256307	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1009057"	415.295476	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1534838"	416.289108	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"999098"	208.151376	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1599069"	417.203728	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1425823"	447.235238	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1152829"	228.664651	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1707850"	464.261785	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1639125"	469.21718	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1583528"	485.19112	"C15401"	"11beta17beta-Dihydroxy-417-dimethylandrost-4-en-3-one;11beta-Hydroxy-417-dimethyltestosterone"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"812801"	314.2246	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M"	0
"978681"	295.20621	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"66922"	208.475790666667	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"510860"	313.217324	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"888662"	103.734257333333	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"6144"	313.217324	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"442424"	470.329624	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"824602"	156.105024	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"85686"	627.441924	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"527436"	941.666524	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"901955"	313.217324	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"55238"	644.468471	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"495893"	958.693071	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"875881"	330.243871	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"46595"	649.423866	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"486148"	963.648466	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"863099"	335.199266	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1632754"	335.199266	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"106849"	331.205663	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"549208"	488.317963	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"940164"	174.093363	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"277749"	663.418602	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"674186"	977.643202	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1281484"	349.194002	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"25136"	665.397806	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"462507"	979.622406	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"840309"	351.173206	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1560517"	351.173206	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"945121"	359.222794	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"367709"	673.447401	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"345921"	687.463051	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1496053"	373.238451	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"960314"	381.204751	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"115055"	349.194002	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"551698"	506.306302	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1021424"	192.081702	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1245904"	393.143485	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1307263"	395.199472	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1326952"	417.181429	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"911812"	427.210186	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1292531"	463.186864	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1367163"	279.211924	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1383205"	297.2219	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"283254"	629.456476	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"679203"	943.681076	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1355553"	315.231876	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"133909"	315.231876	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"569459"	472.344176	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1042267"	158.119576	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"214551"	210.490342666667	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"649738"	315.231876	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1168226"	105.748809333333	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"426027"	646.483023	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"792132"	960.707623	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1682625"	332.258423	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"337838"	323.7451495	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"734631"	480.8574495	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1485170"	166.6328495	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"394370"	651.438418	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"757189"	965.663018	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1617332"	337.213818	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"326277"	326.222847	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"719790"	483.335147	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1474948"	169.110547	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1066980"	113.076123333333	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1271327"	347.258086	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"391242"	667.412358	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"751745"	981.636958	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1550882"	353.187758	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"312073"	334.209817	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"704129"	491.322117	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1457586"	177.097517	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"248371"	670.483026	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1221441"	356.258426	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1204231"	178.632851	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"199290"	673.42036	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"641406"	987.64496	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1144913"	359.19576	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"187717"	337.213818	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"617921"	494.326118	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1121426"	180.101518	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1407866"	120.403437333333	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1437796"	361.237346	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"227495"	342.24684	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1519931"	375.28939	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"422909"	345.200788	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"783175"	502.313088	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1679873"	188.088488	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"265662"	692.464968	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1239104"	378.240368	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1727628"	378.263893	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1193343"	127.730751333333	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1665055"	383.219288	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"172526"	705.36824	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"611719"	1019.59284	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1096714"	391.14364	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"150250"	353.187758	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"589813"	510.300058	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1073232"	196.075458	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1108627"	393.158192	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1348292"	393.245807	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1015728"	397.284976	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1534949"	398.278608	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"999208"	199.146126	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1599179"	399.193228	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1425933"	429.224738	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1152939"	219.659401	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1707960"	446.251285	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1639235"	451.20668	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1583638"	467.18062	"C15402"	"17beta-Hydroxy-7alpha17-dimethylandrosta-14-dien-3-one;1-Dehydro-7alpha17-dimethyltestosterone"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"810724"	350.2457	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M"	0
"978791"	331.22731	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H2O-H"	-19.01839
"67033"	232.489857333333	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-3H"	-3.021828
"510970"	349.238424	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-3H"	-3.021828
"886588"	115.741290666667	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-3H"	-3.021828
"2975"	349.238424	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H"	-2.014552
"441441"	524.361274	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H"	-2.014552
"820336"	174.115574	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H"	-2.014552
"82516"	699.484124	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-H"	-1.007276
"528639"	1049.729824	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-H"	-1.007276
"902065"	349.238424	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H"	-1.007276
"57534"	716.510671	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H+NH4"	16.019271
"497096"	1066.756371	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H+NH4"	16.019271
"878057"	366.264971	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H+NH4"	16.019271
"45734"	721.466066	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H+Na"	20.974666
"486251"	1071.711766	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H+Na"	20.974666
"863083"	371.220366	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H+Na"	20.974666
"1632621"	371.220366	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na-2H"	20.974666
"107323"	367.226763	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-H+Cl"	33.962126
"548469"	542.349613	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-H+Cl"	33.962126
"939302"	192.103913	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+Cl"	33.962126
"281019"	735.460802	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Cl"	34.969402
"674292"	1085.706502	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+Cl"	34.969402
"1278314"	385.215102	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl"	34.969402
"21965"	737.440006	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M-2H+K"	36.948606
"462617"	1087.685706	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M-2H+K"	36.948606
"837138"	387.194306	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-2H+K"	36.948606
"1560627"	387.194306	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K-2H"	36.948606
"944136"	395.243894	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+HCOOH"	44.998194
"364539"	745.489601	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+HCOOH-H"	44.998201
"348423"	759.505251	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Hac-H"	59.013851
"1492993"	409.259551	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Hac-H"	59.013851
"958754"	417.225851	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+NaCOOH"	66.980151
"110543"	385.215102	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2Cl"	69.938804
"550712"	560.337952	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2Cl"	69.938804
"1021420"	210.092252	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2Cl"	69.938804
"1242734"	429.164585	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Br"	78.918885
"1306280"	431.220572	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl+HCOOH"	80.974872
"1325969"	453.202529	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl+NaCOOH"	102.956829
"912649"	463.231286	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M-H+CF3COOH"	112.985586
"1292641"	499.207964	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Cl+CF3COOH"	148.962264
"1367159"	315.233024	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H-2H2O"	-35.012676
"1382949"	333.243	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H-H2O"	-17.0027
"283000"	701.498676	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H"	1.007276
"677001"	1051.744376	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H"	1.007276
"1353476"	351.252976	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H"	1.007276
"126729"	351.252976	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2H"	2.014552
"569207"	526.375826	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2H"	2.014552
"1039461"	176.130126	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2H"	2.014552
"209551"	234.504409333333	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+3H"	3.021828
"650933"	351.252976	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+3H"	3.021828
"1166143"	117.755842666667	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+3H"	3.021828
"425773"	718.525223	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+NH4"	18.033823
"789323"	1068.770923	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+NH4"	18.033823
"1682736"	368.279523	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+NH4"	18.033823
"339041"	359.7662495	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H+NH4"	19.041099
"731462"	534.8890995	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H+NH4"	19.041099
"1486373"	184.6433995	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+NH4"	19.041099
"396304"	723.480618	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Na"	22.989218
"756206"	1073.726318	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+Na"	22.989218
"1617808"	373.234918	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na"	22.989218
"327479"	362.243947	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H+Na"	23.996494
"720265"	537.366797	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H+Na"	23.996494
"1475424"	187.121097	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+Na"	23.996494
"1067334"	125.083156666667	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2H+Na"	25.00377
"1271558"	383.279186	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+CH3OH+H"	33.033486
"391959"	739.454558	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+K"	38.963158
"752589"	1089.700258	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+K"	38.963158
"1554637"	389.208858	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K"	38.963158
"311820"	370.230917	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+H+K"	39.970434
"704968"	545.353767	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+H+K"	39.970434
"1458790"	195.108067	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+K"	39.970434
"248118"	742.525226	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+ACN+H"	42.033826
"1221553"	392.279526	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+ACN+H"	42.033826
"1199969"	196.643401	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+ACN+2H"	43.041102
"195029"	745.46256	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2Na-H"	44.97116
"636777"	1095.70826	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2Na-H"	44.97116
"1144292"	395.21686	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2Na-H"	44.97116
"179198"	373.234918	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2Na"	45.978436
"618760"	548.357768	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2Na"	45.978436
"1118984"	198.112068	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2Na"	45.978436
"1404696"	132.410470666667	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+2Na"	46.985712
"1435353"	397.258446	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+HCOOH"	47.012746
"233808"	378.26794	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+3H2O+2H"	56.04448
"1521867"	411.31049	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+IsoProp+H"	61.06479
"421558"	381.221888	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+Na+K"	61.952376
"783888"	556.344738	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+Na+K"	61.952376
"1678890"	206.099038	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na+K"	61.952376
"263583"	764.507168	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+ACN+Na"	64.015768
"1239208"	414.261468	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+ACN+Na"	64.015768
"1725909"	414.284993	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+NH4+HCOOH"	64.039293
"1192968"	139.737784666667	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+3Na"	68.967654
"1663707"	419.240388	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na+HCOOH"	68.994688
"170933"	777.41044	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2K-H"	76.91904
"611948"	1127.65614	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2K-H"	76.91904
"1098649"	427.16474	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2K-H"	76.91904
"153276"	389.208858	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"2M+2K"	77.926316
"587736"	564.331708	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"3M+2K"	77.926316
"1079903"	214.086008	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2K"	77.926316
"1108738"	429.179292	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2K+H"	78.933592
"1341842"	429.266907	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+DMSO+H"	79.021207
"1010371"	433.306076	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2ACN+H"	83.060376
"1532870"	434.299708	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+IsoProp+Na+H"	84.054008
"999318"	217.156676	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+2ACN+2H"	84.067652
"1593821"	435.214328	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K+HCOOH"	84.968628
"1420575"	465.245838	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+H+CF3COOH"	115.000138
"1156330"	237.669951	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+3ACN+2H"	125.094202
"1708070"	482.272385	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+NH4+CF3COOH"	132.026685
"1636068"	487.22778	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+Na+CF3COOH"	136.98208
"1583748"	503.20172	"C15403"	"3alpha11beta17alpha-Trihydroxy-5beta-pregnan-20-one;Tetrahydro-21-deoxycortisol"	"C21H34O4"	"350.2457"	"M+K+CF3COOH"	152.95602
"804271"	390.2406	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M"	0
"974388"	371.22221	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-H2O-H"	-19.01839
"64956"	259.153124	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M-3H"	-3.021828
"511080"	389.233324	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M-3H"	-3.021828
"887791"	129.072924	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-3H"	-3.021828
"898"	389.233324	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M-2H"	-2.014552
"441551"	584.353624	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M-2H"	-2.014552
"820446"	194.113024	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-2H"	-2.014552
"82626"	779.473924	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M-H"	-1.007276
"529842"	1169.714524	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M-H"	-1.007276
"902175"	389.233324	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-H"	-1.007276
"55458"	796.500471	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M-2H+NH4"	16.019271
"496113"	1186.741071	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M-2H+NH4"	16.019271
"877925"	406.259871	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-2H+NH4"	16.019271
"46572"	801.455866	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M-2H+Na"	20.974666
"486929"	1191.696466	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M-2H+Na"	20.974666
"863922"	411.215266	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-2H+Na"	20.974666
"1633341"	411.215266	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Na-2H"	20.974666
"108040"	407.221663	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M-H+Cl"	33.962126
"549424"	602.341963	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M-H+Cl"	33.962126
"938319"	212.101363	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-H+Cl"	33.962126
"281250"	815.450602	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+Cl"	34.969402
"674766"	1205.691202	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+Cl"	34.969402
"1281704"	425.210002	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Cl"	34.969402
"18795"	817.429806	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M-2H+K"	36.948606
"456893"	1207.670406	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M-2H+K"	36.948606
"835789"	427.189206	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-2H+K"	36.948606
"1558550"	427.189206	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+K-2H"	36.948606
"943310"	435.238794	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-H+HCOOH"	44.998194
"364649"	825.479401	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+HCOOH-H"	44.998201
"346464"	839.495051	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+Hac-H"	59.013851
"1493507"	449.254451	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Hac-H"	59.013851
"958985"	457.220751	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-H+NaCOOH"	66.980151
"110531"	425.210002	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+2Cl"	69.938804
"550822"	620.330302	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+2Cl"	69.938804
"1021679"	230.089702	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2Cl"	69.938804
"1241868"	469.159485	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Br"	78.918885
"1306754"	471.215472	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Cl+HCOOH"	80.974872
"1327172"	493.197429	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Cl+NaCOOH"	102.956829
"913123"	503.226186	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M-H+CF3COOH"	112.985586
"1290564"	539.202864	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Cl+CF3COOH"	148.962264
"1367623"	355.227924	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H-2H2O"	-35.012676
"1383217"	373.2379	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H-H2O"	-17.0027
"283228"	781.488476	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+H"	1.007276
"676134"	1171.729076	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+H"	1.007276
"1351554"	391.247876	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H"	1.007276
"128296"	391.247876	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+2H"	2.014552
"566310"	586.368176	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+2H"	2.014552
"1039569"	196.127576	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2H"	2.014552
"206378"	261.167676	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+3H"	3.021828
"647762"	391.247876	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+3H"	3.021828
"1166982"	131.087476	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+3H"	3.021828
"427341"	798.515023	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+NH4"	18.033823
"788339"	1188.755623	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+NH4"	18.033823
"1682480"	408.274423	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+NH4"	18.033823
"336965"	399.7611495	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+H+NH4"	19.041099
"731571"	594.8814495	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+H+NH4"	19.041099
"1487576"	204.6408495	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H+NH4"	19.041099
"393619"	803.470418	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+Na"	22.989218
"756316"	1193.711018	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+Na"	22.989218
"1618282"	413.229818	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Na"	22.989218
"329170"	402.238847	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+H+Na"	23.996494
"720737"	597.359147	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+H+Na"	23.996494
"1474920"	207.118547	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H+Na"	23.996494
"1067682"	138.41479	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2H+Na"	25.00377
"1272032"	423.274086	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+CH3OH+H"	33.033486
"392636"	819.444358	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+K"	38.963158
"754184"	1209.684958	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+K"	38.963158
"1553289"	429.203758	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+K"	38.963158
"313508"	410.225817	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+H+K"	39.970434
"705805"	605.346117	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+H+K"	39.970434
"1460357"	215.105517	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H+K"	39.970434
"249321"	822.515026	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+ACN+H"	42.033826
"1221663"	432.274426	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+ACN+H"	42.033826
"1201172"	216.640851	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+ACN+2H"	43.041102
"195138"	825.45236	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+2Na-H"	44.97116
"635794"	1215.69296	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+2Na-H"	44.97116
"1146227"	435.21176	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2Na-H"	44.97116
"181493"	413.229818	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+2Na"	45.978436
"618870"	608.350118	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+2Na"	45.978436
"1122374"	218.109518	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2Na"	45.978436
"1404806"	145.742104	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H+2Na"	46.985712
"1435099"	437.253346	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H+HCOOH"	47.012746
"234160"	418.26284	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+3H2O+2H"	56.04448
"1521977"	451.30539	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+IsoProp+H"	61.06479
"422517"	421.216788	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+Na+K"	61.952376
"783877"	616.337088	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+Na+K"	61.952376
"1679729"	226.096488	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Na+K"	61.952376
"265879"	844.496968	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+ACN+Na"	64.015768
"1239926"	454.256368	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+ACN+Na"	64.015768
"1727112"	454.279893	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+NH4+HCOOH"	64.039293
"1193805"	153.069418	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+3Na"	68.967654
"1665033"	459.235288	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Na+HCOOH"	68.994688
"171650"	857.40024	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+2K-H"	76.91904
"612180"	1247.64084	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+2K-H"	76.91904
"1099569"	467.15964	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2K-H"	76.91904
"154480"	429.203758	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"2M+2K"	77.926316
"588939"	624.324058	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"3M+2K"	77.926316
"1074545"	234.083458	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2K"	77.926316
"1109942"	469.174192	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2K+H"	78.933592
"1341952"	469.261807	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+DMSO+H"	79.021207
"1010481"	473.300976	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2ACN+H"	83.060376
"1532980"	474.294608	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+IsoProp+Na+H"	84.054008
"999428"	237.154126	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+2ACN+2H"	84.067652
"1593931"	475.209228	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+K+HCOOH"	84.968628
"1421778"	505.240738	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+H+CF3COOH"	115.000138
"1155347"	257.667401	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+3ACN+2H"	125.094202
"1708180"	522.267285	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+NH4+CF3COOH"	132.026685
"1636178"	527.22268	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+Na+CF3COOH"	136.98208
"1583858"	543.19662	"C15404"	"3beta17-Dihydroxy-5alpha-pregnane-1120-dione 3-acetate"	"C23H34O5"	"390.2406"	"M+K+CF3COOH"	152.95602
"814222"	332.2351	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M"	0
"984480"	313.21671	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"76002"	220.482790666667	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"507910"	331.227824	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"891182"	109.737757333333	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"5382"	331.227824	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"442755"	497.345374	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"824931"	165.110274	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"84923"	663.462924	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"530682"	995.698024	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"903379"	331.227824	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"56661"	680.489471	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"498410"	1012.724571	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"878277"	348.254371	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"47064"	685.444866	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"486608"	1017.679966	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"864213"	353.209766	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1633979"	353.209766	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"108636"	349.216163	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"549335"	515.333713	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"938429"	183.098613	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"282294"	699.439602	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"675124"	1031.674702	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1281814"	367.204502	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"22187"	701.418806	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"466118"	1033.653906	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"840639"	369.183706	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1561940"	369.183706	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"948731"	377.233294	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"368039"	709.468401	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"349737"	723.484051	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1500757"	391.248951	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"959426"	399.215251	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"111859"	367.204502	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"553852"	533.322052	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1021795"	201.086952	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1241981"	411.153985	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1307592"	413.209972	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1332748"	435.191929	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"917246"	445.220686	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1292862"	481.197364	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1367736"	297.222424	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1384872"	315.2324	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"286017"	665.477476	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"676614"	997.712576	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1353693"	333.242376	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"130959"	333.242376	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"568084"	499.359926	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1039682"	167.124826	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"207219"	222.497342666667	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"646780"	333.242376	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1167091"	111.752309333333	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"428545"	682.504023	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"792462"	1014.739123	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1684781"	350.268923	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"338168"	341.7556495	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"733868"	507.8731995	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1488782"	175.6380995	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"399805"	687.459418	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"761894"	1019.694518	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1618383"	355.224318	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"328669"	344.233347	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"717927"	510.350897	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1475394"	178.115797	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1067915"	119.079623333333	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1271902"	365.268586	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"392300"	703.433358	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"753942"	1035.668458	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1554860"	371.198258	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"314250"	352.220317	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"707031"	518.337867	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1459008"	186.102767	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"247607"	706.504026	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1223596"	374.268926	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1201284"	187.638101	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"200715"	709.44136	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"643193"	1041.67646	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1146940"	377.20626	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"188399"	355.224318	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"624448"	521.341868	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1126860"	189.106768	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1406009"	126.406937333333	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1438127"	379.247846	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"235362"	360.25734	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1523554"	393.29989	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"424183"	363.211288	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"785445"	529.328838	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1680084"	197.093738	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"265260"	728.485968	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1239428"	396.250868	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1727953"	396.274393	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1193876"	133.734251333333	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1665226"	401.229788	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"172736"	741.38924	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"610346"	1073.62434	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1099112"	409.15414	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"153860"	371.198258	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"596787"	537.315808	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1081215"	205.080708	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1111143"	411.168692	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1346436"	411.256307	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1010590"	415.295476	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1535279"	416.289108	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"1001725"	208.151376	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1601575"	417.203728	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1424076"	447.235238	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1156550"	228.664651	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1708290"	464.261785	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1639568"	469.21718	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1583968"	485.19112	"C15405"	"17beta-Carbomethoxyandrost-5-en-3beta-ol;3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"804491"	300.1725	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M"	0
"978028"	281.15411	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"68457"	199.107724	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"508019"	299.165224	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"892385"	99.050224	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"6586"	299.165224	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"440678"	449.251474	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"821760"	149.078974	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"85033"	599.337724	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"524594"	899.510224	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"902396"	299.165224	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"55678"	616.364271	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"497425"	916.536771	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"875958"	316.191771	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"46865"	621.319666	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"487029"	921.492166	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"863783"	321.147166	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1633600"	321.147166	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"106560"	317.153563	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"548670"	467.239813	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"937444"	167.067313	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"277096"	635.314402	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"674870"	935.486902	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1281924"	335.141902	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"25577"	637.293606	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"466228"	937.466106	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"840749"	337.121106	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1562050"	337.121106	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"948841"	345.170694	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"368149"	645.343201	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"349847"	659.358851	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1500138"	359.186351	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"959536"	367.152651	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"111361"	335.141902	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"553962"	485.228152	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1021496"	185.055652	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1241848"	379.091385	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1305881"	381.147372	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1329577"	403.129329	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"912009"	413.158086	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1290784"	449.134764	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1368331"	265.159824	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1383036"	283.1698	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"284306"	601.352276	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"676033"	901.524776	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1352346"	301.179776	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"128152"	301.179776	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"567344"	451.266026	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1038698"	151.093526	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"206961"	201.122276	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"646161"	301.179776	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1165014"	101.064776	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"429386"	618.378823	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"787103"	918.551323	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1684163"	318.206323	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"340465"	309.6930495	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"733978"	459.7792995	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1487796"	159.6067995	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"399915"	623.334218	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"763097"	923.506718	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1617404"	323.161718	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"329471"	312.170747	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"719862"	462.256997	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1476724"	162.084497	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1068463"	108.39209	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1272508"	333.205986	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"392373"	639.308158	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"754180"	939.480658	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1553876"	339.135658	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"313121"	320.157717	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"706275"	470.243967	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1460779"	170.071467	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"248810"	642.378826	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1223706"	342.206326	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1199208"	171.606801	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"200825"	645.31616	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"643791"	945.48866	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1147010"	345.14366	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"188509"	323.161718	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"622372"	473.247968	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1123689"	173.075468	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1405026"	115.719404	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1433860"	347.185246	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"227937"	328.19474	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1524152"	361.23729	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"423707"	331.148688	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"782152"	481.234938	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1681156"	181.062438	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"266961"	664.360768	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1241314"	364.188268	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1728077"	364.211793	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1193875"	123.046718	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1665529"	369.167188	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"172812"	677.26404	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"611549"	977.43654	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1099870"	377.09154	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"153970"	339.135658	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"596980"	489.221908	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1080232"	189.049408	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1111253"	379.106092	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1346546"	379.193707	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1009970"	383.232876	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1533200"	384.226508	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"1001835"	192.120076	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1594151"	385.141128	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1424186"	415.172638	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1155567"	212.633351	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1708400"	432.199185	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1639678"	437.15458	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1584078"	453.12852	"C15406"	"5alpha-Androst-1-ene-31117-trione"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"803507"	350.1649	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M"	0
"975951"	331.14651	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-H2O-H"	-19.01839
"65286"	232.435990666667	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M-3H"	-3.021828
"504849"	349.157624	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M-3H"	-3.021828
"889216"	115.714357333333	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-3H"	-3.021828
"3415"	349.157624	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M-2H"	-2.014552
"445161"	524.240074	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M-2H"	-2.014552
"822963"	174.075174	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-2H"	-2.014552
"86236"	699.322524	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M-H"	-1.007276
"524704"	1049.487424	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M-H"	-1.007276
"903600"	349.157624	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-H"	-1.007276
"53602"	716.349071	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M-2H+NH4"	16.019271
"494254"	1066.513971	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M-2H+NH4"	16.019271
"872057"	366.184171	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-2H+NH4"	16.019271
"46532"	721.304466	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M-2H+Na"	20.974666
"486867"	1071.469366	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M-2H+Na"	20.974666
"863646"	371.139566	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-2H+Na"	20.974666
"1633305"	371.139566	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Na-2H"	20.974666
"109227"	367.145963	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M-H+Cl"	33.962126
"548053"	542.228413	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M-H+Cl"	33.962126
"938649"	192.063513	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-H+Cl"	33.962126
"276112"	735.299202	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+Cl"	34.969402
"671815"	1085.464102	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+Cl"	34.969402
"1282034"	385.134302	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Cl"	34.969402
"23502"	737.278406	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M-2H+K"	36.948606
"457591"	1087.443306	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M-2H+K"	36.948606
"840860"	387.113506	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-2H+K"	36.948606
"1561070"	387.113506	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+K-2H"	36.948606
"945672"	395.163094	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-H+HCOOH"	44.998194
"366074"	745.328001	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+HCOOH-H"	44.998201
"351051"	759.343651	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+Hac-H"	59.013851
"1500977"	409.178751	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Hac-H"	59.013851
"959771"	417.145051	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-H+NaCOOH"	66.980151
"114145"	385.134302	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+2Cl"	69.938804
"553709"	560.216752	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+2Cl"	69.938804
"1023965"	210.051852	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2Cl"	69.938804
"1249741"	429.083785	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Br"	78.918885
"1315470"	431.139772	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Cl+HCOOH"	80.974872
"1329687"	453.121729	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Cl+NaCOOH"	102.956829
"917466"	463.150486	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M-H+CF3COOH"	112.985586
"1290894"	499.127164	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Cl+CF3COOH"	148.962264
"1367271"	315.152224	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H-2H2O"	-35.012676
"1383389"	333.1622	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H-H2O"	-17.0027
"285145"	701.337076	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+H"	1.007276
"675978"	1051.501976	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+H"	1.007276
"1351724"	351.172176	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H"	1.007276
"126556"	351.172176	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+2H"	2.014552
"567817"	526.254626	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+2H"	2.014552
"1037714"	176.089726	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2H"	2.014552
"206342"	234.450542666667	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+3H"	3.021828
"647364"	351.172176	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+3H"	3.021828
"1165124"	117.728909333333	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+3H"	3.021828
"430589"	718.363623	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+NH4"	18.033823
"788306"	1068.528523	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+NH4"	18.033823
"1692293"	368.198723	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+NH4"	18.033823
"339481"	359.6854495	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+H+NH4"	19.041099
"735910"	534.7678995	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+H+NH4"	19.041099
"1486813"	184.6029995	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H+NH4"	19.041099
"400025"	723.319018	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+Na"	22.989218
"761021"	1073.483918	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+Na"	22.989218
"1617149"	373.154118	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Na"	22.989218
"328893"	362.163147	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+H+Na"	23.996494
"721554"	537.245597	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+H+Na"	23.996494
"1475616"	187.080697	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H+Na"	23.996494
"1066311"	125.056223333333	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2H+Na"	25.00377
"1272570"	383.198386	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+CH3OH+H"	33.033486
"392400"	739.292958	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+K"	38.963158
"752662"	1089.457858	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+K"	38.963158
"1553623"	389.128058	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+K"	38.963158
"312988"	370.150117	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+H+K"	39.970434
"706140"	545.232567	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+H+K"	39.970434
"1459596"	195.067667	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H+K"	39.970434
"250992"	742.363626	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+ACN+H"	42.033826
"1223088"	392.198726	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+ACN+H"	42.033826
"1199682"	196.603001	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+ACN+2H"	43.041102
"197655"	745.30096	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+2Na-H"	44.97116
"642808"	1095.46586	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+2Na-H"	44.97116
"1146560"	395.13606	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2Na-H"	44.97116
"187663"	373.154118	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+2Na"	45.978436
"619201"	548.236568	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+2Na"	45.978436
"1121612"	198.071668	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2Na"	45.978436
"1402949"	132.383537333333	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H+2Na"	46.985712
"1433972"	397.177646	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H+HCOOH"	47.012746
"227319"	378.18714	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+3H2O+2H"	56.04448
"1523729"	411.22969	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+IsoProp+H"	61.06479
"420537"	381.141088	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+Na+K"	61.952376
"780804"	556.223538	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+Na+K"	61.952376
"1681146"	206.058638	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Na+K"	61.952376
"267072"	764.345568	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+ACN+Na"	64.015768
"1238917"	414.180668	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+ACN+Na"	64.015768
"1728374"	414.204193	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+NH4+HCOOH"	64.039293
"1193978"	139.710851333333	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+3Na"	68.967654
"1665004"	419.159588	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Na+HCOOH"	68.994688
"172822"	777.24884	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+2K-H"	76.91904
"612512"	1127.41374	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+2K-H"	76.91904
"1099897"	427.08394	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2K-H"	76.91904
"154081"	389.128058	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"2M+2K"	77.926316
"595467"	564.210508	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"3M+2K"	77.926316
"1080342"	214.045608	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2K"	77.926316
"1111363"	429.098492	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2K+H"	78.933592
"1346656"	429.186107	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+DMSO+H"	79.021207
"1010080"	433.225276	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2ACN+H"	83.060376
"1531124"	434.218908	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+IsoProp+Na+H"	84.054008
"1001945"	217.116276	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+2ACN+2H"	84.067652
"1593168"	435.133528	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+K+HCOOH"	84.968628
"1421017"	465.165038	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+H+CF3COOH"	115.000138
"1153491"	237.629551	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+3ACN+2H"	125.094202
"1707417"	482.191585	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+NH4+CF3COOH"	132.026685
"1639788"	487.14698	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+Na+CF3COOH"	136.98208
"1584188"	503.12092	"C15407"	"9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-311-dione"	"C20H27ClO3"	"350.1649"	"M+K+CF3COOH"	152.95602
"802524"	362.2257	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M"	0
"978247"	343.20731	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"65396"	240.476524	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"504955"	361.218424	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"889326"	119.734624	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"3525"	361.218424	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"446364"	542.331274	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"823073"	180.105574	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"86346"	723.444124	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"524814"	1085.669824	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"900794"	361.218424	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"54805"	740.470671	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"493271"	1102.696371	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"873260"	378.244971	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"45298"	745.426066	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"481818"	1107.651766	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"861079"	383.200366	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1633290"	383.200366	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"107873"	379.206763	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"546338"	560.319613	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"936572"	198.093913	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"274036"	759.420802	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"670832"	1121.646502	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1282144"	397.195102	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"23612"	761.400006	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"459888"	1123.625706	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"837690"	399.174306	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1561180"	399.174306	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"945782"	407.223894	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"362904"	769.449601	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"351161"	783.465251	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1498900"	421.239551	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"960974"	429.205851	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"117535"	397.195102	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"550452"	578.307952	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1024075"	216.082252	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1243289"	441.144585	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1309018"	443.200572	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1326516"	465.182529	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"913322"	475.211286	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1293190"	511.187964	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1368434"	327.213024	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1383499"	345.223	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"283264"	725.458676	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"676818"	1087.684376	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1352076"	363.232976	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"127034"	363.232976	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"567566"	544.345826	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1044022"	182.120126	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"209004"	242.491076	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"646011"	363.232976	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1170700"	121.749176	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"428145"	742.485223	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"787324"	1104.710923	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1691310"	380.259523	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"338495"	371.7462495	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"735290"	552.8590995	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1485830"	190.6333995	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"395760"	747.440618	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"760035"	1109.666318	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1614706"	385.214918	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"328760"	374.223947	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"722394"	555.336797	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1475727"	193.111097	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1067518"	129.07649	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1271749"	395.259186	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"392391"	763.414558	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"753628"	1125.640258	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1554582"	401.188858	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"313342"	382.210917	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"706617"	563.323767	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1459828"	201.098067	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"250739"	766.485226	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1223563"	404.259526	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1205624"	202.633401	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"198858"	769.42256	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"642918"	1131.64826	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1145574"	407.19686	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"188061"	385.214918	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"619311"	566.327768	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1122815"	204.102068	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1404151"	136.403804	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1435174"	409.238446	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"229251"	390.24794	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1522785"	423.29049	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"420647"	393.201888	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"781643"	574.314738	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1680943"	212.089038	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"267014"	788.467168	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1240487"	426.241468	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1728327"	426.264993	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1193157"	143.731118	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1664750"	431.220388	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"172750"	801.37044	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"611527"	1163.59614	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1099734"	439.14474	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"154191"	401.188858	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"596549"	582.301708	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1080452"	220.076008	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1111473"	441.159292	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1347859"	441.246907	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1009826"	445.286076	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1532327"	446.279708	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"999869"	223.146676	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1589998"	447.194328	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1423313"	477.225838	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1154694"	243.659951	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1705340"	494.252385	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1639898"	499.20778	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1584298"	515.18172	"C15408"	"2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;2alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"802633"	330.2195	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M"	0
"975117"	311.20111	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"64777"	219.139057333333	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"504334"	329.212224	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"888341"	109.065890666667	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"4727"	329.212224	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"443557"	494.321974	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"819901"	164.102474	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"87549"	659.431724	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"527110"	989.651224	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"903822"	329.212224	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"60383"	676.458271	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"498849"	1006.677771	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"876650"	346.238771	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"45895"	681.413666	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"484114"	1011.633166	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"861917"	351.194166	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1633846"	351.194166	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"103607"	347.200563	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"543166"	512.310313	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"932307"	182.090813	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"271958"	695.408402	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"668754"	1025.627902	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1282254"	365.188902	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"25906"	697.387606	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"458904"	1027.607106	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"835613"	367.168106	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1562383"	367.168106	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"951360"	375.217694	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"363014"	705.437201	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"351271"	719.452851	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1493054"	389.233351	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"961084"	397.199651	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"116552"	365.188902	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"550886"	530.298652	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1026009"	200.079152	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1244492"	409.138385	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1304383"	411.194372	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1322250"	433.176329	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"914403"	443.205086	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1292204"	479.181764	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1370367"	295.206824	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1383486"	313.2168	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"282923"	661.446276	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"676684"	991.665776	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1352066"	331.226776	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"127749"	331.226776	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"568403"	496.336526	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1039391"	166.117026	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"210209"	221.153609333333	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"648310"	331.226776	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1169716"	111.080442666667	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"426431"	678.472823	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"788162"	1008.692323	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1693606"	348.253323	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"339698"	339.7400495	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"735400"	504.8497995	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1487033"	174.6302995	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"395870"	683.428218	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"759052"	1013.647718	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1616274"	353.208718	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"328134"	342.217747	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"721167"	507.327497	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1475473"	177.107997	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1067871"	118.407756666667	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1272552"	363.252986	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"392625"	699.402158	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"754104"	1029.621658	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1554814"	369.182658	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"313211"	350.204717	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"707052"	515.314467	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1460949"	185.094967	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"250728"	702.472826	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1225218"	372.253326	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1207192"	186.630301	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"198969"	705.41016	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"644193"	1035.62966	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1146864"	375.19066	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"187395"	353.208718	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"622699"	518.318468	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1122926"	188.098968	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1405354"	125.735070666667	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1436377"	377.232246	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"229357"	358.24174	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1522531"	391.28429	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"418202"	361.195688	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"783577"	526.305438	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1681218"	196.085938	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"266764"	724.454768	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1240730"	394.235268	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1727428"	394.258793	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1193268"	133.062384666667	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1662551"	399.214188	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"172085"	737.35804	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"612257"	1067.57754	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1099901"	407.13854	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"156822"	369.182658	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"596994"	534.292408	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1083243"	204.072908	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1108304"	409.153092	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1346876"	409.240707	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1009936"	413.279876	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1531344"	414.273508	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"998886"	207.143576	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1590108"	415.188128	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1422330"	445.219638	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1153711"	227.656851	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1705450"	462.246185	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1640008"	467.20158	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1584408"	483.17552	"C15409"	"17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"802744"	250.0316	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M"	0
"975308"	231.01321	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-H2O-H"	-19.01839
"64519"	165.680457333333	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M-3H"	-3.021828
"503109"	249.024324	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M-3H"	-3.021828
"886259"	82.3365906666667	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-3H"	-3.021828
"12490"	249.024324	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M-2H"	-2.014552
"449864"	374.040124	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M-2H"	-2.014552
"819281"	124.008524	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-2H"	-2.014552
"81097"	499.055924	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M-H"	-1.007276
"523941"	749.087524	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M-H"	-1.007276
"903932"	249.024324	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-H"	-1.007276
"60493"	516.082471	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M-2H+NH4"	16.019271
"498959"	766.114071	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M-2H+NH4"	16.019271
"871293"	266.050871	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-2H+NH4"	16.019271
"44665"	521.037866	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M-2H+Na"	20.974666
"484224"	771.069466	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M-2H+Na"	20.974666
"860934"	271.006266	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-2H+Na"	20.974666
"1633958"	271.006266	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Na-2H"	20.974666
"102624"	267.012663	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M-H+Cl"	33.962126
"538903"	392.028463	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M-H+Cl"	33.962126
"931324"	141.996863	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-H+Cl"	33.962126
"268788"	535.032602	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+Cl"	34.969402
"665584"	785.064202	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+Cl"	34.969402
"1285644"	285.001002	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Cl"	34.969402
"26016"	537.011806	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M-2H+K"	36.948606
"459014"	787.043406	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M-2H+K"	36.948606
"833285"	286.980206	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-2H+K"	36.948606
"1562493"	286.980206	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+K-2H"	36.948606
"950377"	295.029794	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-H+HCOOH"	44.998194
"363488"	545.061401	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+HCOOH-H"	44.998201
"349558"	559.077051	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+Hac-H"	59.013851
"1494016"	309.045451	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Hac-H"	59.013851
"960829"	317.011751	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-H+NaCOOH"	66.980151
"114475"	285.001002	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+2Cl"	69.938804
"550996"	410.016802	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+2Cl"	69.938804
"1026119"	159.985202	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2Cl"	69.938804
"1244602"	328.950485	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Br"	78.918885
"1304615"	331.006472	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Cl+HCOOH"	80.974872
"1322360"	352.988429	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Cl+NaCOOH"	102.956829
"914513"	363.017186	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M-H+CF3COOH"	112.985586
"1291221"	398.993864	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Cl+CF3COOH"	148.962264
"1367922"	215.018924	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H-2H2O"	-35.012676
"1384690"	233.0289	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H-H2O"	-17.0027
"285105"	501.070476	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+H"	1.007276
"676801"	751.102076	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+H"	1.007276
"1352421"	251.038876	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H"	1.007276
"129684"	251.038876	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+2H"	2.014552
"571066"	376.054676	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+2H"	2.014552
"1044240"	126.023076	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2H"	2.014552
"211047"	167.695009333333	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+3H"	3.021828
"649149"	251.038876	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+3H"	3.021828
"1170919"	84.3511426666667	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+3H"	3.021828
"428001"	518.097023	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+NH4"	18.033823
"789001"	768.128623	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+NH4"	18.033823
"1690437"	268.065423	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+NH4"	18.033823
"334704"	259.5521495	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+H+NH4"	19.041099
"727123"	384.5679495	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+H+NH4"	19.041099
"1481672"	134.5363495	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H+NH4"	19.041099
"397071"	523.052418	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+Na"	22.989218
"756975"	773.084018	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+Na"	22.989218
"1616382"	273.020818	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Na"	22.989218
"327878"	262.029847	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+H+Na"	23.996494
"720667"	387.045647	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+H+Na"	23.996494
"1475583"	137.014047	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H+Na"	23.996494
"1067373"	91.6784566666667	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2H+Na"	25.00377
"1270505"	283.065086	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+CH3OH+H"	33.033486
"391267"	539.026358	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+K"	38.963158
"753719"	789.057958	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+K"	38.963158
"1554311"	288.994758	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+K"	38.963158
"313763"	270.016817	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+H+K"	39.970434
"705734"	395.032617	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+H+K"	39.970434
"1461226"	145.001017	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H+K"	39.970434
"251367"	542.097026	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+ACN+H"	42.033826
"1225405"	292.065426	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+ACN+H"	42.033826
"1207302"	146.536351	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+ACN+2H"	43.041102
"200172"	545.03436	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+2Na-H"	44.97116
"644195"	795.06596	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+2Na-H"	44.97116
"1146160"	295.00276	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2Na-H"	44.97116
"187748"	273.020818	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+2Na"	45.978436
"622808"	398.036618	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+2Na"	45.978436
"1124129"	148.005018	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2Na"	45.978436
"1403278"	99.0057706666667	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H+2Na"	46.985712
"1435394"	297.044346	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H+HCOOH"	47.012746
"229467"	278.05384	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+3H2O+2H"	56.04448
"1522274"	311.09639	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+IsoProp+H"	61.06479
"417947"	281.007788	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+Na+K"	61.952376
"781866"	406.023588	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+Na+K"	61.952376
"1681115"	155.991988	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Na+K"	61.952376
"266959"	564.078968	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+ACN+Na"	64.015768
"1241046"	314.047368	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+ACN+Na"	64.015768
"1728182"	314.070893	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+NH4+HCOOH"	64.039293
"1193948"	106.333084666667	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+3Na"	68.967654
"1663754"	319.026288	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Na+HCOOH"	68.994688
"172203"	576.98224	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+2K-H"	76.91904
"612706"	827.01384	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+2K-H"	76.91904
"1098327"	326.95064	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2K-H"	76.91904
"155872"	288.994758	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"2M+2K"	77.926316
"596899"	414.010558	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"3M+2K"	77.926316
"1083711"	163.978958	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2K"	77.926316
"1109507"	328.965192	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2K+H"	78.933592
"1345893"	329.052807	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+DMSO+H"	79.021207
"1010046"	333.091976	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2ACN+H"	83.060376
"1529267"	334.085608	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+IsoProp+Na+H"	84.054008
"1000088"	167.049626	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+2ACN+2H"	84.067652
"1590218"	335.000228	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+K+HCOOH"	84.968628
"1423533"	365.031738	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+H+CF3COOH"	115.000138
"1154914"	187.562901	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+3ACN+2H"	125.094202
"1705560"	382.058285	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+NH4+CF3COOH"	132.026685
"1636838"	387.01368	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+Na+CF3COOH"	136.98208
"1584518"	402.98762	"C15410"	"1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane;1-Chloro-2-1-(4-chlorophenyl)ethylbenzene"	"C14H12Cl2"	"250.0316"	"M+K+CF3COOH"	152.95602
"806134"	267.0582	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M"	0
"976390"	248.03981	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-H2O-H"	-19.01839
"63899"	177.031524	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M-3H"	-3.021828
"503462"	266.050924	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M-3H"	-3.021828
"887462"	88.012124	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-3H"	-3.021828
"15195"	266.050924	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M-2H"	-2.014552
"449974"	399.580024	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M-2H"	-2.014552
"824495"	132.521824	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-2H"	-2.014552
"82300"	533.109124	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M-H"	-1.007276
"524051"	800.167324	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M-H"	-1.007276
"906228"	266.050924	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-H"	-1.007276
"55135"	550.135671	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M-2H+NH4"	16.019271
"499069"	817.193871	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M-2H+NH4"	16.019271
"872495"	283.077471	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-2H+NH4"	16.019271
"43317"	555.091066	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M-2H+Na"	20.974666
"481418"	822.149266	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M-2H+Na"	20.974666
"858857"	288.032866	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-2H+Na"	20.974666
"1634065"	288.032866	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Na-2H"	20.974666
"102734"	284.039263	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M-H+Cl"	33.962126
"540104"	417.568363	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M-H+Cl"	33.962126
"929245"	150.510163	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-H+Cl"	33.962126
"269989"	569.085802	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+Cl"	34.969402
"661679"	836.144002	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+Cl"	34.969402
"1284661"	302.027602	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Cl"	34.969402
"22846"	571.065006	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M-2H+K"	36.948606
"460218"	838.123206	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M-2H+K"	36.948606
"833035"	304.006806	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-2H+K"	36.948606
"1562603"	304.006806	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+K-2H"	36.948606
"951580"	312.056394	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-H+HCOOH"	44.998194
"364327"	579.114601	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+HCOOH-H"	44.998201
"349304"	593.130251	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+Hac-H"	59.013851
"1498135"	326.072051	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Hac-H"	59.013851
"962397"	334.038351	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-H+NaCOOH"	66.980151
"116772"	302.027602	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+2Cl"	69.938804
"550376"	435.556702	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+2Cl"	69.938804
"1026229"	168.498502	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2Cl"	69.938804
"1242159"	345.977085	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Br"	78.918885
"1305335"	348.033072	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Cl+HCOOH"	80.974872
"1322470"	370.015029	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Cl+NaCOOH"	102.956829
"914623"	380.043786	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M-H+CF3COOH"	112.985586
"1292424"	416.020464	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Cl+CF3COOH"	148.962264
"1367303"	232.045524	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H-2H2O"	-35.012676
"1384070"	250.0555	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H-H2O"	-17.0027
"284488"	535.123676	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+H"	1.007276
"677275"	802.181876	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+H"	1.007276
"1355447"	268.065476	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H"	1.007276
"133803"	268.065476	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+2H"	2.014552
"572269"	401.594576	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+2H"	2.014552
"1045443"	134.536376	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2H"	2.014552
"211157"	179.046076	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+3H"	3.021828
"655089"	268.065476	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+3H"	3.021828
"1169936"	90.026676	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+3H"	3.021828
"427747"	552.150223	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+NH4"	18.033823
"788018"	819.208423	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+NH4"	18.033823
"1690547"	285.092023	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+NH4"	18.033823
"334450"	276.5787495	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+H+NH4"	19.041099
"726869"	410.1078495	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+H+NH4"	19.041099
"1480689"	143.0496495	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H+NH4"	19.041099
"394995"	557.105618	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+Na"	22.989218
"756113"	824.163818	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+Na"	22.989218
"1615034"	290.047418	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Na"	22.989218
"328232"	279.056447	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+H+Na"	23.996494
"721144"	412.585547	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+H+Na"	23.996494
"1477016"	145.527347	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H+Na"	23.996494
"1068482"	97.35399	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2H+Na"	25.00377
"1271708"	300.091686	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+CH3OH+H"	33.033486
"391378"	573.079558	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+K"	38.963158
"752007"	840.137758	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+K"	38.963158
"1554057"	306.021358	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+K"	38.963158
"312697"	287.043417	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+H+K"	39.970434
"705844"	420.572517	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+H+K"	39.970434
"1458936"	153.514317	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H+K"	39.970434
"251187"	576.150226	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+ACN+H"	42.033826
"1224988"	309.092026	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+ACN+H"	42.033826
"1206319"	155.049651	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+ACN+2H"	43.041102
"198824"	579.08756	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+2Na-H"	44.97116
"641667"	846.14576	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+2Na-H"	44.97116
"1145541"	312.02936	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2Na-H"	44.97116
"184451"	290.047418	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+2Na"	45.978436
"626205"	423.576518	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+2Na"	45.978436
"1122053"	156.518318	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2Na"	45.978436
"1403388"	104.681304	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H+2Na"	46.985712
"1432225"	314.070946	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H+HCOOH"	47.012746
"227391"	295.08044	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+3H2O+2H"	56.04448
"1519102"	328.12299	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+IsoProp+H"	61.06479
"416233"	298.034388	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+Na+K"	61.952376
"781241"	431.563488	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+Na+K"	61.952376
"1677578"	164.505288	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Na+K"	61.952376
"267029"	598.132168	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+ACN+Na"	64.015768
"1240826"	331.073968	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+ACN+Na"	64.015768
"1728058"	331.097493	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+NH4+HCOOH"	64.039293
"1193897"	112.008618	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+3Na"	68.967654
"1665081"	336.052888	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Na+HCOOH"	68.994688
"172640"	611.03544	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+2K-H"	76.91904
"612644"	878.09364	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+2K-H"	76.91904
"1098437"	343.97724	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2K-H"	76.91904
"155982"	306.021358	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"2M+2K"	77.926316
"596968"	439.550458	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"3M+2K"	77.926316
"1083457"	172.492258	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2K"	77.926316
"1109617"	345.991792	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2K+H"	78.933592
"1346003"	346.079407	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+DMSO+H"	79.021207
"1012342"	350.118576	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2ACN+H"	83.060376
"1529377"	351.112208	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+IsoProp+Na+H"	84.054008
"1000198"	175.562926	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+2ACN+2H"	84.067652
"1590328"	352.026828	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+K+HCOOH"	84.968628
"1423643"	382.058338	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+H+CF3COOH"	115.000138
"1151744"	196.076201	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+3ACN+2H"	125.094202
"1705670"	399.084885	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+NH4+CF3COOH"	132.026685
"1636948"	404.04028	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+Na+CF3COOH"	136.98208
"1584628"	420.01422	"C15411"	"beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride;2-Chloro-12-diphenylethylamine hydrochloride"	"C14H14ClNHCl"	"267.0582"	"M+K+CF3COOH"	152.95602
"808431"	302.2246	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M"	0
"975770"	283.20621	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"66197"	200.475790666667	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"503612"	301.217324	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"891946"	99.7342573333333	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"14656"	301.217324	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"454582"	452.329624	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"830803"	150.105024	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"86784"	603.441924	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"524160"	905.666524	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"906338"	301.217324	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"53056"	620.468471	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"493711"	922.693071	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"871510"	318.243871	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"41604"	625.423866	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"480069"	927.648466	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"857871"	323.199266	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1627408"	323.199266	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"97373"	319.205663	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"542400"	470.317963	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"928258"	168.093363	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"275565"	639.418602	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"662154"	941.643202	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1284770"	337.194002	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"24049"	641.397806	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"458142"	943.622406	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"833753"	339.173206	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1558339"	339.173206	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"947316"	347.222794	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"361569"	649.447401	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"348685"	663.463051	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1494234"	361.238451	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"962507"	369.204751	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"116882"	337.194002	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"550974"	488.306302	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1029619"	186.081702	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1243728"	381.143485	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1304716"	383.199472	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1321484"	405.181429	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"915826"	415.210186	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1291441"	451.186864	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1369603"	267.211924	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1387096"	285.2219	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"287878"	605.456476	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"680301"	907.681076	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1353002"	303.231876	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"128808"	303.231876	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"573473"	454.344176	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1045553"	152.119576	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"211995"	202.490342666667	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"655199"	303.231876	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1168952"	101.748809333333	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"428951"	622.483023	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"788857"	924.707623	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1684095"	320.258423	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"332737"	311.7451495	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"726979"	462.8574495	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1480799"	160.6328495	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"394011"	627.438418	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"754481"	929.663018	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1614780"	325.213818	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"322992"	314.222847	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"720890"	465.335147	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1475803"	163.110547	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1067956"	109.076123333333	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1268903"	335.258086	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"390760"	643.412358	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"751389"	945.636958	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1552347"	341.187758	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"313171"	322.209817	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"703403"	473.322117	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1460263"	171.097517	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"250932"	646.483026	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1225484"	344.258426	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1206793"	172.632851	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"201850"	649.42036	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"642261"	951.64496	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1145895"	347.19576	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"185776"	325.213818	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"626925"	476.326118	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1125441"	174.101518	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1405685"	116.403437333333	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1433428"	349.237346	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"228594"	330.24684	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1518483"	363.28939	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"415250"	333.200788	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"780622"	484.313088	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1679877"	182.088488	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"266279"	668.464968	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1241213"	366.240368	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1727512"	366.263893	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1194001"	123.730751333333	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1665541"	371.219288	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"172656"	681.36824	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"612427"	983.59284	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1099726"	379.14364	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"155119"	341.187758	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"593100"	492.300058	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1083324"	190.075458	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1110819"	381.158192	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1346112"	381.245807	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1010265"	385.284976	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1529487"	386.278608	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1000308"	193.146126	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1590438"	387.193228	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1424846"	417.224738	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1151854"	213.659401	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1705780"	434.251285	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1640338"	439.20668	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1584738"	455.18062	"C15412"	"17beta-Hydroxy-4-methylandrost-4-en-3-one;4-Methyltestosterone"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"805261"	330.2559	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M"	0
"976609"	311.23751	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-H2O-H"	-19.01839
"63633"	219.163324	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M-3H"	-3.021828
"506598"	329.248624	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M-3H"	-3.021828
"888776"	109.078024	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-3H"	-3.021828
"14766"	329.248624	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M-2H"	-2.014552
"455055"	494.376574	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M-2H"	-2.014552
"832006"	164.120674	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-2H"	-2.014552
"85802"	659.504524	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M-H"	-1.007276
"524270"	989.760424	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M-H"	-1.007276
"903167"	329.248624	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-H"	-1.007276
"51343"	676.531071	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M-2H+NH4"	16.019271
"492727"	1006.786971	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M-2H+NH4"	16.019271
"871620"	346.275171	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-2H+NH4"	16.019271
"42078"	681.486466	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M-2H+Na"	20.974666
"482731"	1011.742366	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M-2H+Na"	20.974666
"859075"	351.230566	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-2H+Na"	20.974666
"1627518"	351.230566	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Na-2H"	20.974666
"98576"	347.236963	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M-H+Cl"	33.962126
"540322"	512.364913	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M-H+Cl"	33.962126
"930558"	182.109013	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-H+Cl"	33.962126
"273488"	695.481202	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+Cl"	34.969402
"660927"	1025.737102	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+Cl"	34.969402
"1281600"	365.225302	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Cl"	34.969402
"24159"	697.460406	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M-2H+K"	36.948606
"459345"	1027.716306	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M-2H+K"	36.948606
"832800"	367.204506	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-2H+K"	36.948606
"1556384"	367.204506	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+K-2H"	36.948606
"946333"	375.254094	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-H+HCOOH"	44.998194
"361669"	705.510001	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+HCOOH-H"	44.998201
"348431"	719.525651	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+Hac-H"	59.013851
"1495075"	389.269751	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Hac-H"	59.013851
"963711"	397.236051	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-H+NaCOOH"	66.980151
"116992"	365.225302	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+2Cl"	69.938804
"551449"	530.353252	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+2Cl"	69.938804
"1028636"	200.097352	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2Cl"	69.938804
"1243838"	409.174785	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Br"	78.918885
"1305554"	411.230772	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Cl+HCOOH"	80.974872
"1322690"	433.212729	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Cl+NaCOOH"	102.956829
"917030"	443.241486	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M-H+CF3COOH"	112.985586
"1292645"	479.218164	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Cl+CF3COOH"	148.962264
"1370806"	295.243224	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H-2H2O"	-35.012676
"1387208"	313.2532	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H-H2O"	-17.0027
"287988"	661.519076	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+H"	1.007276
"679317"	991.774976	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+H"	1.007276
"1361133"	331.263176	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H"	1.007276
"129648"	331.263176	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+2H"	2.014552
"571395"	496.391126	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+2H"	2.014552
"1044569"	166.135226	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2H"	2.014552
"212470"	221.177876	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+3H"	3.021828
"649112"	331.263176	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+3H"	3.021828
"1169791"	111.092576	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+3H"	3.021828
"429425"	678.545623	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+NH4"	18.033823
"789331"	1008.801523	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+NH4"	18.033823
"1684569"	348.289723	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+NH4"	18.033823
"334668"	339.7764495	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+H+NH4"	19.041099
"729274"	504.9043995	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+H+NH4"	19.041099
"1480907"	174.6484995	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H+NH4"	19.041099
"396306"	683.501018	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+Na"	22.989218
"754746"	1013.756918	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+Na"	22.989218
"1616712"	353.245118	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Na"	22.989218
"322008"	342.254147	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+H+Na"	23.996494
"720271"	507.382097	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+H+Na"	23.996494
"1474454"	177.126197	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H+Na"	23.996494
"1066488"	118.41989	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2H+Na"	25.00377
"1270106"	363.289386	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+CH3OH+H"	33.033486
"389412"	699.474958	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+K"	38.963158
"751864"	1029.730858	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+K"	38.963158
"1549173"	369.219058	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+K"	38.963158
"313284"	350.241117	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+H+K"	39.970434
"703149"	515.369067	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+H+K"	39.970434
"1460375"	185.113167	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H+K"	39.970434
"250440"	702.545626	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+ACN+H"	42.033826
"1224728"	372.289726	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+ACN+H"	42.033826
"1206903"	186.648501	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+ACN+2H"	43.041102
"201960"	705.48296	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+2Na-H"	44.97116
"643222"	1035.73886	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+2Na-H"	44.97116
"1145396"	375.22706	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2Na-H"	44.97116
"185035"	353.245118	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+2Na"	45.978436
"625216"	518.373068	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+2Na"	45.978436
"1122271"	188.117168	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2Na"	45.978436
"1402515"	125.747204	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H+2Na"	46.985712
"1433538"	377.268646	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H+HCOOH"	47.012746
"225425"	358.27814	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+3H2O+2H"	56.04448
"1516769"	391.32069	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+IsoProp+H"	61.06479
"413172"	361.232088	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+Na+K"	61.952376
"779639"	526.360038	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+Na+K"	61.952376
"1678526"	196.104138	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Na+K"	61.952376
"265782"	724.527568	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+ACN+Na"	64.015768
"1240193"	394.271668	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+ACN+Na"	64.015768
"1727863"	394.295193	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+NH4+HCOOH"	64.039293
"1193218"	133.074518	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+3Na"	68.967654
"1665297"	399.250588	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Na+HCOOH"	68.994688
"172645"	737.43084	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+2K-H"	76.91904
"612454"	1067.68674	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+2K-H"	76.91904
"1099389"	407.17494	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2K-H"	76.91904
"154741"	369.219058	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"2M+2K"	77.926316
"593209"	534.347008	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"3M+2K"	77.926316
"1079908"	204.091108	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2K"	77.926316
"1109836"	409.189492	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2K+H"	78.933592
"1348408"	409.277107	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+DMSO+H"	79.021207
"1009282"	413.316276	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2ACN+H"	83.060376
"1530690"	414.309908	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+IsoProp+Na+H"	84.054008
"1002605"	207.161776	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+2ACN+2H"	84.067652
"1593828"	415.224528	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+K+HCOOH"	84.968628
"1424956"	445.256038	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+H+CF3COOH"	115.000138
"1151964"	227.675051	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+3ACN+2H"	125.094202
"1705890"	462.282585	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+NH4+CF3COOH"	132.026685
"1640448"	467.23798	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+Na+CF3COOH"	136.98208
"1584848"	483.21192	"C15413"	"17beta-Hydroxy-4417-trimethylandrost-5-en-3-one"	"C22H34O2"	"330.2559"	"M+K+CF3COOH"	152.95602
"805371"	348.2101	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M"	0
"976719"	329.19171	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-H2O-H"	-19.01839
"67147"	231.132790666667	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M-3H"	-3.021828
"509989"	347.202824	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M-3H"	-3.021828
"893140"	115.062757333333	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-3H"	-3.021828
"15000"	347.202824	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M-2H"	-2.014552
"455045"	521.307874	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M-2H"	-2.014552
"831024"	173.097774	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-2H"	-2.014552
"89192"	695.412924	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M-H"	-1.007276
"525473"	1043.623024	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M-H"	-1.007276
"904370"	347.202824	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-H"	-1.007276
"51089"	712.439471	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M-2H+NH4"	16.019271
"495023"	1060.649571	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M-2H+NH4"	16.019271
"873917"	364.229371	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-2H+NH4"	16.019271
"39635"	717.394866	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M-2H+Na"	20.974666
"483205"	1065.604966	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M-2H+Na"	20.974666
"859185"	369.184766	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-2H+Na"	20.974666
"1628721"	369.184766	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Na-2H"	20.974666
"98686"	365.191163	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M-H+Cl"	33.962126
"548086"	539.296213	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M-H+Cl"	33.962126
"933948"	191.086113	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-H+Cl"	33.962126
"274691"	731.389602	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+Cl"	34.969402
"661038"	1079.599702	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+Cl"	34.969402
"1281710"	383.179502	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Cl"	34.969402
"24269"	733.368806	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M-2H+K"	36.948606
"459455"	1081.578906	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M-2H+K"	36.948606
"833725"	385.158706	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-2H+K"	36.948606
"1557466"	385.158706	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+K-2H"	36.948606
"946443"	393.208294	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-H+HCOOH"	44.998194
"362834"	741.418401	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+HCOOH-H"	44.998201
"348904"	755.434051	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+Hac-H"	59.013851
"1497372"	407.223951	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Hac-H"	59.013851
"962727"	415.190251	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-H+NaCOOH"	66.980151
"118195"	383.179502	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+2Cl"	69.938804
"554476"	557.284552	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+2Cl"	69.938804
"1026559"	209.074452	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2Cl"	69.938804
"1243218"	427.128985	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Br"	78.918885
"1306030"	429.184972	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Cl+HCOOH"	80.974872
"1322799"	451.166929	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Cl+NaCOOH"	102.956829
"916047"	461.195686	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M-H+CF3COOH"	112.985586
"1290934"	497.172364	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Cl+CF3COOH"	148.962264
"1368364"	313.197424	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H-2H2O"	-35.012676
"1387318"	331.2074	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H-H2O"	-17.0027
"290285"	697.427476	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+H"	1.007276
"684894"	1045.637576	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+H"	1.007276
"1361243"	349.217376	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H"	1.007276
"131945"	349.217376	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+2H"	2.014552
"572597"	523.322426	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+2H"	2.014552
"1045771"	175.112326	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2H"	2.014552
"212580"	233.147342666667	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+3H"	3.021828
"655419"	349.217376	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+3H"	3.021828
"1165891"	117.077309333333	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+3H"	3.021828
"432451"	714.454023	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+NH4"	18.033823
"789435"	1062.664123	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+NH4"	18.033823
"1686499"	366.243923	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+NH4"	18.033823
"335870"	357.7306495	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+H+NH4"	19.041099
"723185"	531.8356995	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+H+NH4"	19.041099
"1477371"	183.6255995	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H+NH4"	19.041099
"393499"	719.409418	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+Na"	22.989218
"754609"	1067.619518	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+Na"	22.989218
"1613174"	371.199318	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Na"	22.989218
"323210"	360.208347	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+H+Na"	23.996494
"720624"	534.313397	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+H+Na"	23.996494
"1475778"	186.103297	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H+Na"	23.996494
"1065990"	124.404623333333	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2H+Na"	25.00377
"1271431"	381.243586	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+CH3OH+H"	33.033486
"391709"	735.383358	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+K"	38.963158
"751973"	1083.593458	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+K"	38.963158
"1555004"	387.173258	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+K"	38.963158
"313032"	368.195317	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+H+K"	39.970434
"705812"	542.300367	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+H+K"	39.970434
"1461252"	194.090267	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H+K"	39.970434
"251152"	738.454026	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+ACN+H"	42.033826
"1225444"	390.243926	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+ACN+H"	42.033826
"1207621"	195.625601	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+ACN+2H"	43.041102
"202315"	741.39136	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+2Na-H"	44.97116
"643331"	1089.60146	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+2Na-H"	44.97116
"1146312"	393.18126	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2Na-H"	44.97116
"186846"	371.199318	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+2Na"	45.978436
"626532"	545.304368	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+2Na"	45.978436
"1119099"	197.094268	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2Na"	45.978436
"1402625"	131.731937333333	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H+2Na"	46.985712
"1439118"	395.222846	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H+HCOOH"	47.012746
"226628"	376.23234	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+3H2O+2H"	56.04448
"1516879"	409.27489	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+IsoProp+H"	61.06479
"415471"	379.186288	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+Na+K"	61.952376
"780842"	553.291338	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+Na+K"	61.952376
"1677175"	205.081238	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Na+K"	61.952376
"263699"	760.435968	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+ACN+Na"	64.015768
"1239687"	412.225868	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+ACN+Na"	64.015768
"1723107"	412.249393	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+NH4+HCOOH"	64.039293
"1192836"	139.059251333333	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+3Na"	68.967654
"1664798"	417.204788	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Na+HCOOH"	68.994688
"171657"	773.33924	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+2K-H"	76.91904
"612189"	1121.54934	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+2K-H"	76.91904
"1093662"	425.12914	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2K-H"	76.91904
"154851"	387.173258	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"2M+2K"	77.926316
"594414"	561.278308	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"3M+2K"	77.926316
"1083179"	213.068208	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2K"	77.926316
"1113227"	427.143692	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2K+H"	78.933592
"1346332"	427.231307	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+DMSO+H"	79.021207
"1010487"	431.270476	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2ACN+H"	83.060376
"1537361"	432.264108	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+IsoProp+Na+H"	84.054008
"999436"	216.138876	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+2ACN+2H"	84.067652
"1600502"	433.178728	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+K+HCOOH"	84.968628
"1428348"	463.210238	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+H+CF3COOH"	115.000138
"1161430"	236.652151	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+3ACN+2H"	125.094202
"1702719"	480.236785	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+NH4+CF3COOH"	132.026685
"1638370"	485.19218	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+Na+CF3COOH"	136.98208
"1584958"	501.16612	"C15414"	"6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate;6alpha-Fluorotestosterone acetate"	"C21H29FO3"	"348.2101"	"M+K+CF3COOH"	152.95602
"805845"	178.0313	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M"	0
"982298"	159.01291	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-H2O-H"	-19.01839
"64705"	117.680257333333	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M-3H"	-3.021828
"506819"	177.024024	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M-3H"	-3.021828
"894708"	58.3364906666667	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-3H"	-3.021828
"15228"	177.024024	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M-2H"	-2.014552
"454955"	266.039674	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M-2H"	-2.014552
"832232"	88.008374	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-2H"	-2.014552
"92583"	355.055324	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M-H"	-1.007276
"522670"	533.086624	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M-H"	-1.007276
"901199"	177.024024	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-H"	-1.007276
"51199"	372.081871	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M-2H+NH4"	16.019271
"491852"	550.113171	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M-2H+NH4"	16.019271
"870748"	194.050571	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-2H+NH4"	16.019271
"40838"	377.037266	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M-2H+Na"	20.974666
"484772"	555.068566	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M-2H+Na"	20.974666
"862575"	199.005966	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-2H+Na"	20.974666
"1629926"	199.005966	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Na-2H"	20.974666
"103171"	195.012363	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M-H+Cl"	33.962126
"544916"	284.028013	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M-H+Cl"	33.962126
"932964"	105.996713	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-H+Cl"	33.962126
"273706"	391.032002	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+Cl"	34.969402
"662242"	569.063302	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+Cl"	34.969402
"1281820"	213.000702	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Cl"	34.969402
"21099"	393.011206	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M-2H+K"	36.948606
"458106"	571.042506	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M-2H+K"	36.948606
"834199"	214.979906	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-2H+K"	36.948606
"1558668"	214.979906	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+K-2H"	36.948606
"946917"	223.029494	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-H+HCOOH"	44.998194
"365131"	401.060801	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+HCOOH-H"	44.998201
"350107"	415.076451	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+Hac-H"	59.013851
"1500762"	237.045151	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Hac-H"	59.013851
"963931"	245.011451	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-H+NaCOOH"	66.980151
"116119"	213.000702	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+2Cl"	69.938804
"551302"	302.016352	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+2Cl"	69.938804
"1025571"	123.985052	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2Cl"	69.938804
"1245148"	256.950185	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Br"	78.918885
"1306867"	259.006172	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Cl+HCOOH"	80.974872
"1322180"	280.988129	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Cl+NaCOOH"	102.956829
"915061"	291.016886	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M-H+CF3COOH"	112.985586
"1293957"	326.993564	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Cl+CF3COOH"	148.962264
"1369204"	143.018624	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H-2H2O"	-35.012676
"1387427"	161.0286	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H-H2O"	-17.0027
"291490"	357.069876	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+H"	1.007276
"682817"	535.101176	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+H"	1.007276
"1360260"	179.038576	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H"	1.007276
"138617"	179.038576	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+2H"	2.014552
"577082"	268.054226	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+2H"	2.014552
"1048067"	90.022926	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2H"	2.014552
"212690"	119.694809333333	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+3H"	3.021828
"652249"	179.038576	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+3H"	3.021828
"1167095"	60.3510426666667	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+3H"	3.021828
"432561"	374.096423	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+NH4"	18.033823
"788817"	552.127723	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+NH4"	18.033823
"1685516"	196.065123	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+NH4"	18.033823
"335980"	187.5518495	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+H+NH4"	19.041099
"725483"	276.5674995	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+H+NH4"	19.041099
"1477846"	98.5361995	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H+NH4"	19.041099
"395432"	379.051818	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+Na"	22.989218
"754725"	557.083118	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+Na"	22.989218
"1613284"	201.020518	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Na"	22.989218
"322227"	190.029547	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+H+Na"	23.996494
"719025"	279.045197	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+H+Na"	23.996494
"1476780"	101.013897	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H+Na"	23.996494
"1068004"	67.6783566666667	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2H+Na"	25.00377
"1272233"	211.064786	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+CH3OH+H"	33.033486
"392589"	395.025758	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+K"	38.963158
"753827"	573.057058	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+K"	38.963158
"1555518"	216.994458	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+K"	38.963158
"314183"	198.016517	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+H+K"	39.970434
"706284"	287.032167	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+H+K"	39.970434
"1460468"	109.000867	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H+K"	39.970434
"251102"	398.096426	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+ACN+H"	42.033826
"1225458"	220.065126	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+ACN+H"	42.033826
"1204574"	110.536201	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+ACN+2H"	43.041102
"196349"	401.03376	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+2Na-H"	44.97116
"642469"	579.06506	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+2Na-H"	44.97116
"1146909"	223.00246	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2Na-H"	44.97116
"187076"	201.020518	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+2Na"	45.978436
"625547"	290.036168	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+2Na"	45.978436
"1120304"	112.004868	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2Na"	45.978436
"1403828"	75.0056706666667	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H+2Na"	46.985712
"1438134"	225.044046	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H+HCOOH"	47.012746
"230017"	206.05354	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+3H2O+2H"	56.04448
"1519175"	239.09609	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+IsoProp+H"	61.06479
"418860"	209.007488	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+Na+K"	61.952376
"780952"	298.023138	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+Na+K"	61.952376
"1675098"	119.991838	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Na+K"	61.952376
"262716"	420.078368	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+ACN+Na"	64.015768
"1237246"	242.047068	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+ACN+Na"	64.015768
"1719936"	242.070593	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+NH4+HCOOH"	64.039293
"1189665"	82.3329846666667	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+3Na"	68.967654
"1663931"	247.025988	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Na+HCOOH"	68.994688
"171646"	432.98164	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+2K-H"	76.91904
"611571"	611.01294	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+2K-H"	76.91904
"1097052"	254.95034	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2K-H"	76.91904
"153869"	216.994458	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"2M+2K"	77.926316
"592336"	306.010108	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"3M+2K"	77.926316
"1082563"	127.978808	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2K"	77.926316
"1113337"	256.964892	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2K+H"	78.933592
"1349722"	257.052507	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+DMSO+H"	79.021207
"1010597"	261.091676	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2ACN+H"	83.060376
"1535285"	262.085308	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+IsoProp+Na+H"	84.054008
"1002826"	131.049476	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+2ACN+2H"	84.067652
"1602074"	262.999928	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+K+HCOOH"	84.968628
"1428458"	293.031438	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+H+CF3COOH"	115.000138
"1159839"	151.562751	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+3ACN+2H"	125.094202
"1702829"	310.057985	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+NH4+CF3COOH"	132.026685
"1638480"	315.01338	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+Na+CF3COOH"	136.98208
"1585068"	330.98732	"C15415"	"1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5-thiol"	"C7H6N4S"	"178.0313"	"M+K+CF3COOH"	152.95602
"815434"	304.2038	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M"	0
"982408"	285.18541	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"65181"	201.795257333333	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"515678"	303.196524	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"890200"	100.393990666667	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"13880"	303.196524	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"454898"	455.298424	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"831605"	151.094624	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"91599"	607.400324	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"528971"	911.604124	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"902404"	303.196524	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"51310"	624.426871	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"491232"	928.630671	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"869765"	320.223071	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"40948"	629.382266	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"478321"	933.586066	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"857216"	325.178466	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1628939"	325.178466	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"103281"	321.184863	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"543933"	473.286763	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"934168"	169.082963	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"270536"	643.377002	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"661624"	947.580802	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1276462"	339.173202	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"24489"	645.356206	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"460038"	949.560006	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"833701"	341.152406	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1559507"	341.152406	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"948120"	349.201994	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"365969"	653.405801	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"349853"	667.421451	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1498686"	363.217651	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"966228"	371.183951	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"118416"	339.173202	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"550558"	491.275102	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1024587"	187.071302	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1244165"	383.122685	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1304791"	385.178672	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1320953"	407.160629	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"912496"	417.189386	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1294067"	453.166064	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1371136"	269.191124	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1386444"	287.2011	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"291599"	609.414876	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"682927"	913.618676	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1360370"	305.211076	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"137634"	305.211076	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"577192"	457.312976	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1043806"	153.109176	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"212801"	203.809809333333	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"651266"	305.211076	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1169394"	102.408542666667	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"435951"	626.441423	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"788199"	930.645223	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1685626"	322.237623	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"334997"	313.7243495	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"725229"	465.8262495	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1477171"	161.6224495	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"395663"	631.396818	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"754672"	935.600618	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1609018"	327.193018	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"323429"	316.202047	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"713664"	468.303947	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1468581"	164.100147	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1059639"	109.735856666667	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1272253"	337.237286	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"387548"	647.370758	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"753609"	951.574558	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1551689"	343.166958	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"313813"	324.189017	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"701290"	476.290917	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1458391"	172.087117	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"246993"	650.441426	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1220794"	346.237626	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1207598"	173.622451	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"196459"	653.37876	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"643308"	957.58256	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1142803"	349.17496	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"186459"	327.193018	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"625292"	479.294918	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1120415"	175.091118	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1403938"	117.063170666667	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1437151"	351.216546	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"230127"	332.22604	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1520378"	365.26859	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"417877"	335.179988	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"783248"	487.281888	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1677394"	183.078088	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"263920"	672.423368	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1237720"	368.219568	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1723327"	368.243093	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1189776"	124.390484666667	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1664774"	373.198488	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"168715"	685.32664	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"606089"	989.53044	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1093882"	381.12284	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"151791"	343.166958	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"590257"	495.268858	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1074769"	191.065058	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1107979"	383.137392	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1346552"	383.225007	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1011071"	387.264176	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1536488"	388.257808	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"999656"	194.135726	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1601697"	389.172428	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1429297"	419.203938	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1161042"	214.649001	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1706220"	436.230485	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1640777"	441.18588	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1585178"	457.15982	"C15416"	"17beta-Hydroxy-5alpha-androstan-36-dione;6-Ketodihydrotestosterone"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"805701"	360.2664	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M"	0
"982518"	341.24801	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-H2O-H"	-19.01839
"66385"	239.170324	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M-3H"	-3.021828
"513602"	359.259124	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M-3H"	-3.021828
"891404"	119.081524	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-3H"	-3.021828
"9981"	359.259124	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M-2H"	-2.014552
"453551"	539.392324	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M-2H"	-2.014552
"830501"	179.125924	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-2H"	-2.014552
"88429"	719.525524	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M-H"	-1.007276
"527987"	1079.791924	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M-H"	-1.007276
"902515"	359.259124	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-H"	-1.007276
"56888"	736.552071	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M-2H+NH4"	16.019271
"489888"	1096.818471	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M-2H+NH4"	16.019271
"868052"	376.285671	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-2H+NH4"	16.019271
"45070"	741.507466	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M-2H+Na"	20.974666
"482807"	1101.773866	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M-2H+Na"	20.974666
"860612"	381.241066	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-2H+Na"	20.974666
"1629051"	381.241066	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Na-2H"	20.974666
"103393"	377.247463	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M-H+Cl"	33.962126
"542950"	557.380663	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M-H+Cl"	33.962126
"933186"	197.114263	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-H+Cl"	33.962126
"271741"	755.502202	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+Cl"	34.969402
"661249"	1115.768602	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+Cl"	34.969402
"1277666"	395.235802	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Cl"	34.969402
"23506"	757.481406	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M-2H+K"	36.948606
"458692"	1117.747806	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M-2H+K"	36.948606
"833576"	397.215006	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-2H+K"	36.948606
"1558160"	397.215006	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+K-2H"	36.948606
"947866"	405.264594	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-H+HCOOH"	44.998194
"364622"	765.531001	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+HCOOH-H"	44.998201
"356526"	779.546651	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+Hac-H"	59.013851
"1499890"	419.280251	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Hac-H"	59.013851
"966339"	427.246551	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-H+NaCOOH"	66.980151
"120350"	395.235802	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+2Cl"	69.938804
"550146"	575.369002	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+2Cl"	69.938804
"1023603"	215.102602	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2Cl"	69.938804
"1242088"	439.185285	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Br"	78.918885
"1306727"	441.241272	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Cl+HCOOH"	80.974872
"1321308"	463.223229	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Cl+NaCOOH"	102.956829
"913094"	473.251986	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M-H+CF3COOH"	112.985586
"1291989"	509.228664	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Cl+CF3COOH"	148.962264
"1368452"	325.253724	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H-2H2O"	-35.012676
"1383439"	343.2637	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H-H2O"	-17.0027
"282880"	721.540076	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+H"	1.007276
"677571"	1081.806476	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+H"	1.007276
"1355014"	361.273676	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H"	1.007276
"127901"	361.273676	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+2H"	2.014552
"572930"	541.406876	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+2H"	2.014552
"1046104"	181.140476	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2H"	2.014552
"210724"	241.184876	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+3H"	3.021828
"650284"	361.273676	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+3H"	3.021828
"1172784"	121.096076	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+3H"	3.021828
"434968"	738.566623	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+NH4"	18.033823
"786488"	1098.833023	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+NH4"	18.033823
"1684643"	378.300223	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+NH4"	18.033823
"332920"	369.7869495	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+H+NH4"	19.041099
"725340"	549.9201495	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+H+NH4"	19.041099
"1482443"	189.6537495	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H+NH4"	19.041099
"397840"	743.522018	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+Na"	22.989218
"756646"	1103.788418	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+Na"	22.989218
"1609128"	383.255618	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Na"	22.989218
"322447"	372.264647	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+H+Na"	23.996494
"713773"	552.397847	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+H+Na"	23.996494
"1464312"	192.131447	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H+Na"	23.996494
"1055739"	128.42339	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2H+Na"	25.00377
"1261427"	393.299886	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+CH3OH+H"	33.033486
"383281"	759.495958	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+K"	38.963158
"739901"	1119.762358	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+K"	38.963158
"1543048"	399.229558	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+K"	38.963158
"313355"	380.251617	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+H+K"	39.970434
"704319"	560.384817	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+H+K"	39.970434
"1456314"	200.118417	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H+K"	39.970434
"247103"	762.566626	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+ACN+H"	42.033826
"1220904"	402.300226	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+ACN+H"	42.033826
"1206979"	201.653751	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+ACN+2H"	43.041102
"198756"	765.50396	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+2Na-H"	44.97116
"641961"	1125.77036	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+2Na-H"	44.97116
"1138539"	405.23756	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2Na-H"	44.97116
"183653"	383.255618	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+2Na"	45.978436
"624673"	563.388818	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+2Na"	45.978436
"1127814"	203.122418	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2Na"	45.978436
"1404049"	135.750704	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H+2Na"	46.985712
"1432884"	407.279146	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H+HCOOH"	47.012746
"230237"	388.28864	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+3H2O+2H"	56.04448
"1520487"	421.33119	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+IsoProp+H"	61.06479
"412520"	391.242588	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+Na+K"	61.952376
"782264"	571.375788	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+Na+K"	61.952376
"1678231"	211.109388	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Na+K"	61.952376
"265124"	784.548568	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+ACN+Na"	64.015768
"1235644"	424.282168	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+ACN+Na"	64.015768
"1725625"	424.305693	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+NH4+HCOOH"	64.039293
"1192072"	143.078018	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+3Na"	68.967654
"1664152"	429.261088	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Na+HCOOH"	68.994688
"165545"	797.45184	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+2K-H"	76.91904
"606199"	1157.71824	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+2K-H"	76.91904
"1093991"	437.18544	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2K-H"	76.91904
"152994"	399.229558	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"2M+2K"	77.926316
"587088"	579.362758	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"3M+2K"	77.926316
"1072328"	219.096358	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2K"	77.926316
"1106996"	439.199992	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2K+H"	78.933592
"1343381"	439.287607	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+DMSO+H"	79.021207
"1006927"	443.326776	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2ACN+H"	83.060376
"1531130"	444.320408	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+IsoProp+Na+H"	84.054008
"1003046"	222.167026	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+2ACN+2H"	84.067652
"1602172"	445.235028	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+K+HCOOH"	84.968628
"1428678"	475.266538	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+H+CF3COOH"	115.000138
"1161152"	242.680301	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+3ACN+2H"	125.094202
"1706330"	492.293085	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+NH4+CF3COOH"	132.026685
"1644168"	497.24848	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+Na+CF3COOH"	136.98208
"1585288"	513.22242	"C15417"	"3beta-Hydroxy-5alpha-pregnan-20-one acetate;3beta-Acetoxy-5alpha-pregnan-20-one"	"C23H36O3"	"360.2664"	"M+K+CF3COOH"	152.95602
"809091"	207.1008	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M"	0
"982628"	188.08241	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-H2O-H"	-19.01839
"66495"	137.059924	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M-3H"	-3.021828
"507149"	206.093524	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M-3H"	-3.021828
"887140"	68.026324	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-3H"	-3.021828
"14470"	206.093524	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M-2H"	-2.014552
"453297"	309.643924	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M-2H"	-2.014552
"828545"	102.543124	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-2H"	-2.014552
"88539"	413.194324	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M-H"	-1.007276
"528099"	620.295124	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M-H"	-1.007276
"904812"	206.093524	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-H"	-1.007276
"54812"	430.220871	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M-2H+NH4"	16.019271
"492184"	637.321671	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M-2H+NH4"	16.019271
"869984"	223.120071	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-2H+NH4"	16.019271
"44574"	435.176266	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M-2H+Na"	20.974666
"480731"	642.277066	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M-2H+Na"	20.974666
"861815"	228.075466	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-2H+Na"	20.974666
"1630256"	228.075466	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Na-2H"	20.974666
"104597"	224.081863	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M-H+Cl"	33.962126
"544156"	327.632263	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M-H+Cl"	33.962126
"935484"	120.531463	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-H+Cl"	33.962126
"272945"	449.171002	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+Cl"	34.969402
"663182"	656.271802	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+Cl"	34.969402
"1279963"	242.070202	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Cl"	34.969402
"26896"	451.150206	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M-2H+K"	36.948606
"460989"	658.251006	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M-2H+K"	36.948606
"836966"	244.049406	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-2H+K"	36.948606
"1561186"	244.049406	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+K-2H"	36.948606
"949069"	252.098994	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-H+HCOOH"	44.998194
"365461"	459.199801	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+HCOOH-H"	44.998201
"357366"	473.215451	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+Hac-H"	59.013851
"1501824"	266.114651	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Hac-H"	59.013851
"970823"	274.080951	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-H+NaCOOH"	66.980151
"119731"	242.070202	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+2Cl"	69.938804
"550906"	345.620602	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+2Cl"	69.938804
"1023714"	138.519802	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2Cl"	69.938804
"1244386"	286.019685	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Br"	78.918885
"1305500"	288.075672	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Cl+HCOOH"	80.974872
"1320929"	310.057629	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Cl+NaCOOH"	102.956829
"914298"	320.086386	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M-H+CF3COOH"	112.985586
"1290154"	356.063064	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Cl+CF3COOH"	148.962264
"1368443"	172.088124	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H-2H2O"	-35.012676
"1383388"	190.0981	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H-H2O"	-17.0027
"284167"	415.208876	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+H"	1.007276
"684243"	622.309676	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+H"	1.007276
"1358404"	208.108076	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H"	1.007276
"127285"	208.108076	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+2H"	2.014552
"577050"	311.658476	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+2H"	2.014552
"1047307"	104.557676	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2H"	2.014552
"210835"	139.074476	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+3H"	3.021828
"653676"	208.108076	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+3H"	3.021828
"1170708"	70.040876	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+3H"	3.021828
"436172"	432.235423	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+NH4"	18.033823
"787327"	639.336223	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+NH4"	18.033823
"1684753"	225.134623	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+NH4"	18.033823
"334123"	216.6213495	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+H+NH4"	19.041099
"732011"	320.1717495	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+H+NH4"	19.041099
"1484740"	113.0709495	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H+NH4"	19.041099
"396858"	437.190818	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+Na"	22.989218
"758943"	644.291618	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+Na"	22.989218
"1609238"	230.090018	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Na"	22.989218
"322556"	219.099047	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+H+Na"	23.996494
"711696"	322.649447	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+H+Na"	23.996494
"1463329"	115.548647	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H+Na"	23.996494
"1058764"	77.36819	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2H+Na"	25.00377
"1261537"	240.134286	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+CH3OH+H"	33.033486
"383390"	453.164758	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+K"	38.963158
"743290"	660.265558	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+K"	38.963158
"1546437"	246.063958	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+K"	38.963158
"313710"	227.086017	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+H+K"	39.970434
"704788"	330.636417	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+H+K"	39.970434
"1456424"	123.535617	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H+K"	39.970434
"247213"	456.235426	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+ACN+H"	42.033826
"1222107"	249.134626	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+ACN+H"	42.033826
"1207089"	125.070951	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+ACN+2H"	43.041102
"201782"	459.17276	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+2Na-H"	44.97116
"642072"	666.27356	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+2Na-H"	44.97116
"1140835"	252.07196	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2Na-H"	44.97116
"187045"	230.090018	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+2Na"	45.978436
"624783"	333.640418	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+2Na"	45.978436
"1128654"	126.539618	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2Na"	45.978436
"1405617"	84.695504	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H+2Na"	46.985712
"1436640"	254.113546	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H+HCOOH"	47.012746
"230347"	235.12304	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+3H2O+2H"	56.04448
"1520597"	268.16559	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+IsoProp+H"	61.06479
"420285"	238.076988	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+Na+K"	61.952376
"782010"	341.627388	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+Na+K"	61.952376
"1678341"	134.526588	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Na+K"	61.952376
"259766"	478.217368	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+ACN+Na"	64.015768
"1235754"	271.116568	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+ACN+Na"	64.015768
"1724641"	271.140093	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+NH4+HCOOH"	64.039293
"1191454"	92.022818	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+3Na"	68.967654
"1659888"	276.095488	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Na+HCOOH"	68.994688
"166748"	491.12064	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+2K-H"	76.91904
"609589"	698.22144	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+2K-H"	76.91904
"1095194"	284.01984	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2K-H"	76.91904
"155902"	246.063958	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"2M+2K"	77.926316
"595583"	349.614358	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"3M+2K"	77.926316
"1081550"	142.513558	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2K"	77.926316
"1110387"	286.034392	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2K+H"	78.933592
"1346772"	286.122007	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+DMSO+H"	79.021207
"1010928"	290.161176	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2ACN+H"	83.060376
"1533427"	291.154808	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+IsoProp+Na+H"	84.054008
"997688"	145.584226	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+2ACN+2H"	84.067652
"1600940"	292.069428	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+K+HCOOH"	84.968628
"1428667"	322.100938	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+H+CF3COOH"	115.000138
"1159075"	166.097501	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+3ACN+2H"	125.094202
"1709721"	339.127485	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+NH4+CF3COOH"	132.026685
"1638811"	344.08288	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+Na+CF3COOH"	136.98208
"1585398"	360.05682	"C15418"	"5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Methylbenzyl)semioxamazide"	"C10H13N3O2"	"207.1008"	"M+K+CF3COOH"	152.95602
"805921"	162.0681	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M"	0
"980551"	143.04971	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"66604"	107.038124	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"510539"	161.060824	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"886155"	53.015424	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"12023"	161.060824	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"447575"	242.094874	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"830841"	80.026774	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"86461"	323.128924	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"531488"	485.197024	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"904922"	161.060824	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"52734"	340.155471	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"495573"	502.223571	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"872279"	178.087371	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"41280"	345.110866	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"480841"	507.178966	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"858643"	183.042766	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1627085"	183.042766	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"101427"	179.049163	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"539892"	260.083213	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"932314"	98.015113	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"269045"	359.105602	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"664385"	521.173702	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1276793"	197.037502	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"20446"	361.084806	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"456725"	523.152906	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"835619"	199.016706	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1560203"	199.016706	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"950273"	207.066294	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"367394"	369.134401	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"355654"	383.150051	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1500111"	221.081951	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"970933"	229.048251	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"120934"	197.037502	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"552109"	278.071552	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1022002"	116.003452	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1241902"	240.986985	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1305848"	243.042972	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1324443"	265.024929	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"914408"	275.053686	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1289534"	311.030364	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1368187"	127.055424	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1384954"	145.0654	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"285736"	325.143476	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"678156"	487.211576	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1362888"	163.075376	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"130311"	163.075376	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"575337"	244.109426	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1045230"	82.041326	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"207664"	109.052676	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"651599"	163.075376	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1170818"	55.029976	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"437376"	342.170023	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"792904"	504.238123	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1688142"	180.101923	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"337513"	171.5886495	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"731028"	252.6226995	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1485943"	90.5545995	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"402436"	347.125418	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"760147"	509.193518	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1608253"	185.057318	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"321573"	174.066347	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"710713"	255.100397	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1464532"	93.032297	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1055595"	62.35729	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1262740"	195.101586	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"381314"	363.099358	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"744492"	525.167458	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1547640"	201.031258	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"312481"	182.053317	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"704534"	263.087367	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1456534"	101.019267	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"247323"	366.170026	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1223310"	204.101926	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1207194"	102.554601	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"201163"	369.10736	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"641452"	531.17546	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1140945"	207.03926	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"184599"	185.057318	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"624526"	266.091368	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1129129"	104.023268	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1409372"	69.684604	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1437479"	209.080846	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"229000"	190.09034	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1519614"	223.13289	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"417115"	193.044288	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"780297"	274.078338	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1673348"	112.010238	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"255502"	388.151968	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1232584"	226.083868	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1721471"	226.107393	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1183545"	77.011918	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1655624"	231.062788	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"170138"	401.05524	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"607511"	563.12334	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1095303"	238.98714	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"155769"	201.031258	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"595572"	282.065308	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1081660"	119.997208	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1110497"	241.001692	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1346882"	241.089307	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1012131"	245.128476	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1533537"	246.122108	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"999985"	123.067876	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1602619"	247.036728	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1429467"	277.068238	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1159185"	143.581151	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1709831"	294.094785	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1638921"	299.05018	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1585508"	315.02412	"C15419"	"trans-2-Phenylcyclopropanecarboxylic acid"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"806031"	300.2453	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M"	0
"982848"	281.22691	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-H2O-H"	-19.01839
"66715"	199.156257333333	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M-3H"	-3.021828
"510649"	299.238024	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M-3H"	-3.021828
"885172"	99.0744906666666	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-3H"	-3.021828
"10311"	299.238024	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M-2H"	-2.014552
"448778"	449.360674	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M-2H"	-2.014552
"825484"	149.115374	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-2H"	-2.014552
"85479"	599.483324	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M-H"	-1.007276
"529411"	899.728624	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M-H"	-1.007276
"899930"	299.238024	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-H"	-1.007276
"51752"	616.509871	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M-2H+NH4"	16.019271
"492405"	916.755171	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M-2H+NH4"	16.019271
"870204"	316.264571	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-2H+NH4"	16.019271
"39203"	621.465266	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M-2H+Na"	20.974666
"479857"	921.710566	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M-2H+Na"	20.974666
"860942"	321.219966	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-2H+Na"	20.974666
"1627195"	321.219966	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Na-2H"	20.974666
"103721"	317.226363	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M-H+Cl"	33.962126
"540002"	467.349013	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M-H+Cl"	33.962126
"938984"	167.103713	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-H+Cl"	33.962126
"274261"	635.460002	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+Cl"	34.969402
"666682"	935.705302	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+Cl"	34.969402
"1283464"	335.214702	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Cl"	34.969402
"23836"	637.439206	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M-2H+K"	36.948606
"459022"	937.684506	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M-2H+K"	36.948606
"839009"	337.193906	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-2H+K"	36.948606
"1557518"	337.193906	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+K-2H"	36.948606
"950383"	345.243494	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-H+HCOOH"	44.998194
"366413"	645.488801	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+HCOOH-H"	44.998201
"354669"	659.504451	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+Hac-H"	59.013851
"1505690"	359.259151	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Hac-H"	59.013851
"965577"	367.225451	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-H+NaCOOH"	66.980151
"121044"	335.214702	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+2Cl"	69.938804
"552219"	485.337352	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+2Cl"	69.938804
"1025031"	185.092052	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2Cl"	69.938804
"1241690"	379.164185	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Br"	78.918885
"1305598"	381.220172	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Cl+HCOOH"	80.974872
"1323824"	403.202129	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Cl+NaCOOH"	102.956829
"916705"	413.230886	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M-H+CF3COOH"	112.985586
"1289401"	449.207564	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Cl+CF3COOH"	148.962264
"1367445"	265.232624	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H-2H2O"	-35.012676
"1383484"	283.2426	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H-H2O"	-17.0027
"285846"	601.497876	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+H"	1.007276
"678629"	901.743176	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+H"	1.007276
"1355344"	301.252576	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H"	1.007276
"128598"	301.252576	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+2H"	2.014552
"568524"	451.375226	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+2H"	2.014552
"1043155"	151.129926	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2H"	2.014552
"208869"	201.170809333333	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+3H"	3.021828
"651710"	301.252576	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+3H"	3.021828
"1168742"	101.089042666667	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+3H"	3.021828
"437486"	618.524423	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+NH4"	18.033823
"789735"	918.769723	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+NH4"	18.033823
"1686067"	318.279123	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+NH4"	18.033823
"334345"	309.7658495	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+H+NH4"	19.041099
"728951"	459.8884995	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+H+NH4"	19.041099
"1486052"	159.6431995	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H+NH4"	19.041099
"404733"	623.479818	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+Na"	22.989218
"759168"	923.725118	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+Na"	22.989218
"1607270"	323.234518	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Na"	22.989218
"320590"	312.243547	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+H+Na"	23.996494
"710825"	462.366197	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+H+Na"	23.996494
"1464644"	162.120897	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H+Na"	23.996494
"1056797"	108.416356666667	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2H+Na"	25.00377
"1259568"	333.278786	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+CH3OH+H"	33.033486
"379237"	639.453758	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+K"	38.963158
"742053"	939.699058	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+K"	38.963158
"1549936"	339.208458	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+K"	38.963158
"303109"	320.230517	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+H+K"	39.970434
"705008"	470.353167	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+H+K"	39.970434
"1453361"	170.107867	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H+K"	39.970434
"250918"	642.524426	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+ACN+H"	42.033826
"1221233"	342.279126	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+ACN+H"	42.033826
"1206213"	171.643201	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+ACN+2H"	43.041102
"195806"	645.46176	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+2Na-H"	44.97116
"640830"	945.70706	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+2Na-H"	44.97116
"1143244"	345.21646	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2Na-H"	44.97116
"185440"	323.234518	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+2Na"	45.978436
"624635"	473.357168	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+2Na"	45.978436
"1125225"	173.111868	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2Na"	45.978436
"1408752"	115.743670666667	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H+2Na"	46.985712
"1438681"	347.258046	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H+HCOOH"	47.012746
"231297"	328.26754	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+3H2O+2H"	56.04448
"1518999"	361.31009	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+IsoProp+H"	61.06479
"417225"	331.221488	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+Na+K"	61.952376
"780774"	481.344138	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+Na+K"	61.952376
"1672365"	181.098838	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Na+K"	61.952376
"261080"	664.506368	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+ACN+Na"	64.015768
"1235610"	364.261068	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+ACN+Na"	64.015768
"1723768"	364.284593	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+NH4+HCOOH"	64.039293
"1184749"	123.070984666667	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+3Na"	68.967654
"1653548"	369.239988	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Na+HCOOH"	68.994688
"166968"	677.40964	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+2K-H"	76.91904
"609808"	977.65494	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+2K-H"	76.91904
"1095414"	377.16434	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2K-H"	76.91904
"156120"	339.208458	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"2M+2K"	77.926316
"593978"	489.331108	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"3M+2K"	77.926316
"1078490"	189.085808	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2K"	77.926316
"1113887"	379.178892	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2K+H"	78.933592
"1349179"	379.266507	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+DMSO+H"	79.021207
"1014429"	383.305676	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2ACN+H"	83.060376
"1533647"	384.299308	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+IsoProp+Na+H"	84.054008
"996815"	192.156476	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+2ACN+2H"	84.067652
"1594599"	385.213928	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+K+HCOOH"	84.968628
"1429843"	415.245438	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+H+CF3COOH"	115.000138
"1159295"	212.669751	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+3ACN+2H"	125.094202
"1711037"	432.271985	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+NH4+CF3COOH"	132.026685
"1640124"	437.22738	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+Na+CF3COOH"	136.98208
"1585618"	453.20132	"C15420"	"5alpha-Pregn-2-en-20-one"	"C21H32O"	"300.2453"	"M+K+CF3COOH"	152.95602
"806141"	330.2559	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M"	0
"979677"	311.23751	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-H2O-H"	-19.01839
"65731"	219.163324	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M-3H"	-3.021828
"507479"	329.248624	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M-3H"	-3.021828
"883095"	109.078024	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-3H"	-3.021828
"11514"	329.248624	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M-2H"	-2.014552
"449979"	494.376574	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M-2H"	-2.014552
"827781"	164.120674	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-2H"	-2.014552
"87776"	659.504524	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M-H"	-1.007276
"530615"	989.760424	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M-H"	-1.007276
"905144"	329.248624	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-H"	-1.007276
"57331"	676.531071	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M-2H+NH4"	16.019271
"490693"	1006.786971	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M-2H+NH4"	16.019271
"871407"	346.275171	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-2H+NH4"	16.019271
"38220"	681.486466	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M-2H+Na"	20.974666
"475595"	1011.742366	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M-2H+Na"	20.974666
"859959"	351.230566	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-2H+Na"	20.974666
"1625118"	351.230566	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Na-2H"	20.974666
"98365"	347.236963	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M-H+Cl"	33.962126
"544486"	512.364913	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M-H+Cl"	33.962126
"938000"	182.109013	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-H+Cl"	33.962126
"276558"	695.481202	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+Cl"	34.969402
"666792"	1025.737102	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+Cl"	34.969402
"1283574"	365.225302	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Cl"	34.969402
"17871"	697.460406	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M-2H+K"	36.948606
"456457"	1027.716306	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M-2H+K"	36.948606
"833407"	367.204506	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-2H+K"	36.948606
"1555736"	367.204506	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+K-2H"	36.948606
"947212"	375.254094	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-H+HCOOH"	44.998194
"366887"	705.510001	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+HCOOH-H"	44.998201
"354779"	719.525651	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+Hac-H"	59.013851
"1505799"	389.269751	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Hac-H"	59.013851
"965687"	397.236051	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-H+NaCOOH"	66.980151
"117874"	365.225302	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+2Cl"	69.938804
"554152"	530.353252	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+2Cl"	69.938804
"1025141"	200.097352	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2Cl"	69.938804
"1243260"	409.174785	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Br"	78.918885
"1305221"	411.230772	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Cl+HCOOH"	80.974872
"1324298"	433.212729	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Cl+NaCOOH"	102.956829
"916815"	443.241486	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M-H+CF3COOH"	112.985586
"1289877"	479.218164	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Cl+CF3COOH"	148.962264
"1368042"	295.243224	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H-2H2O"	-35.012676
"1384083"	313.2532	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H-H2O"	-17.0027
"284133"	661.519076	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+H"	1.007276
"682387"	991.774976	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+H"	1.007276
"1357642"	331.263176	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H"	1.007276
"129436"	331.263176	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+2H"	2.014552
"567540"	496.391126	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+2H"	2.014552
"1039257"	166.135226	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2H"	2.014552
"206793"	221.177876	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+3H"	3.021828
"648540"	331.263176	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+3H"	3.021828
"1167759"	111.092576	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+3H"	3.021828
"437596"	678.545623	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+NH4"	18.033823
"787661"	1008.801523	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+NH4"	18.033823
"1685084"	348.289723	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+NH4"	18.033823
"331903"	339.7764495	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+H+NH4"	19.041099
"725784"	504.9043995	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+H+NH4"	19.041099
"1485070"	174.6484995	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H+NH4"	19.041099
"401562"	683.501018	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+Na"	22.989218
"762558"	1013.756918	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+Na"	22.989218
"1606286"	353.245118	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Na"	22.989218
"320700"	342.254147	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+H+Na"	23.996494
"712027"	507.382097	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+H+Na"	23.996494
"1465485"	177.126197	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H+Na"	23.996494
"1056180"	118.41989	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2H+Na"	25.00377
"1262959"	363.289386	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+CH3OH+H"	33.033486
"380440"	699.474958	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+K"	38.963158
"741436"	1029.730858	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+K"	38.963158
"1547858"	369.219058	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+K"	38.963158
"302855"	350.241117	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+H+K"	39.970434
"698558"	515.369067	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+H+K"	39.970434
"1452377"	185.113167	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H+K"	39.970434
"248274"	702.545626	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+ACN+H"	42.033826
"1220250"	372.289726	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+ACN+H"	42.033826
"1207051"	186.648501	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+ACN+2H"	43.041102
"197007"	705.48296	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+2Na-H"	44.97116
"638026"	1035.73886	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+2Na-H"	44.97116
"1140802"	375.22706	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2Na-H"	44.97116
"181904"	353.245118	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+2Na"	45.978436
"624748"	518.373068	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+2Na"	45.978436
"1125700"	188.117168	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2Na"	45.978436
"1405582"	125.747204	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H+2Na"	46.985712
"1438791"	377.268646	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H+HCOOH"	47.012746
"232502"	358.27814	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+3H2O+2H"	56.04448
"1520201"	391.32069	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+IsoProp+H"	61.06479
"416242"	361.232088	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+Na+K"	61.952376
"776143"	526.360038	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+Na+K"	61.952376
"1671382"	196.104138	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Na+K"	61.952376
"263012"	724.527568	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+ACN+Na"	64.015768
"1236813"	394.271668	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+ACN+Na"	64.015768
"1718409"	394.295193	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+NH4+HCOOH"	64.039293
"1183765"	133.074518	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+3Na"	68.967654
"1655844"	399.250588	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Na+HCOOH"	68.994688
"171451"	737.43084	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+2K-H"	76.91904
"611740"	1067.68674	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+2K-H"	76.91904
"1092243"	407.17494	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2K-H"	76.91904
"153434"	369.219058	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"2M+2K"	77.926316
"590807"	534.347008	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"3M+2K"	77.926316
"1078600"	204.091108	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2K"	77.926316
"1110716"	409.189492	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2K+H"	78.933592
"1341634"	409.277107	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+DMSO+H"	79.021207
"1015632"	413.316276	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2ACN+H"	83.060376
"1531570"	414.309908	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+IsoProp+Na+H"	84.054008
"996925"	207.161776	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+2ACN+2H"	84.067652
"1594709"	415.224528	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+K+HCOOH"	84.968628
"1428996"	445.256038	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+H+CF3COOH"	115.000138
"1156125"	227.675051	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+3ACN+2H"	125.094202
"1710053"	462.282585	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+NH4+CF3COOH"	132.026685
"1642420"	467.23798	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+Na+CF3COOH"	136.98208
"1575887"	483.21192	"C15421"	"2-Methyl-5alpha-androst-2-en-17beta-ol acetate"	"C22H34O2"	"330.2559"	"M+K+CF3COOH"	152.95602
"809532"	388.2977	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M"	0
"979787"	369.27931	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-H2O-H"	-19.01839
"65112"	257.857857333333	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M-3H"	-3.021828
"507589"	387.290424	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M-3H"	-3.021828
"886485"	128.425290666667	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-3H"	-3.021828
"11990"	387.290424	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M-2H"	-2.014552
"451182"	581.439274	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M-2H"	-2.014552
"828984"	193.141574	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-2H"	-2.014552
"87887"	775.588124	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M-H"	-1.007276
"530362"	1163.885824	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M-H"	-1.007276
"899786"	387.290424	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-H"	-1.007276
"51974"	792.614671	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M-2H+NH4"	16.019271
"491532"	1180.912371	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M-2H+NH4"	16.019271
"870425"	404.316971	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-2H+NH4"	16.019271
"37233"	797.570066	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M-2H+Na"	20.974666
"476798"	1185.867766	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M-2H+Na"	20.974666
"860069"	409.272366	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-2H+Na"	20.974666
"1628508"	409.272366	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Na-2H"	20.974666
"101756"	405.278763	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M-H+Cl"	33.962126
"542409"	599.427613	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M-H+Cl"	33.962126
"939203"	211.129913	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-H+Cl"	33.962126
"274480"	811.564802	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+Cl"	34.969402
"666902"	1199.862502	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+Cl"	34.969402
"1280404"	423.267102	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Cl"	34.969402
"20776"	813.544006	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M-2H+K"	36.948606
"458150"	1201.841706	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M-2H+K"	36.948606
"833316"	425.246306	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-2H+K"	36.948606
"1558346"	425.246306	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+K-2H"	36.948606
"948415"	433.295894	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-H+HCOOH"	44.998194
"364809"	821.593601	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+HCOOH-H"	44.998201
"358169"	835.609251	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+Hac-H"	59.013851
"1499348"	447.311551	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Hac-H"	59.013851
"965797"	455.277851	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-H+NaCOOH"	66.980151
"117984"	423.267102	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+2Cl"	69.938804
"554263"	617.415952	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+2Cl"	69.938804
"1024523"	229.118252	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2Cl"	69.938804
"1245923"	467.216585	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Br"	78.918885
"1306183"	469.272572	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Cl+HCOOH"	80.974872
"1324045"	491.254529	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Cl+NaCOOH"	102.956829
"917289"	501.283286	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M-H+CF3COOH"	112.985586
"1294726"	537.259964	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Cl+CF3COOH"	148.962264
"1378361"	353.285024	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H-2H2O"	-35.012676
"1394765"	371.295	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H-H2O"	-17.0027
"290075"	777.602676	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+H"	1.007276
"683590"	1165.900376	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+H"	1.007276
"1357752"	389.304976	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H"	1.007276
"133921"	389.304976	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+2H"	2.014552
"569109"	583.453826	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+2H"	2.014552
"1044469"	195.156126	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2H"	2.014552
"211275"	259.872409333333	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+3H"	3.021828
"653023"	389.304976	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+3H"	3.021828
"1168961"	130.439842666667	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+3H"	3.021828
"432238"	794.629223	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+NH4"	18.033823
"793239"	1182.926923	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+NH4"	18.033823
"1686289"	406.331523	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+NH4"	18.033823
"333472"	397.8182495	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+H+NH4"	19.041099
"733548"	591.9670995	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+H+NH4"	19.041099
"1491742"	203.6693995	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H+NH4"	19.041099
"402765"	799.584618	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+Na"	22.989218
"765950"	1187.882318	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+Na"	22.989218
"1606397"	411.286918	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Na"	22.989218
"316802"	400.295947	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+H+Na"	23.996494
"709951"	594.444797	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+H+Na"	23.996494
"1463285"	206.147097	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H+Na"	23.996494
"1057383"	137.767156666667	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2H+Na"	25.00377
"1260882"	421.331186	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+CH3OH+H"	33.033486
"379457"	815.558558	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+K"	38.963158
"741545"	1203.856258	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+K"	38.963158
"1545782"	427.260858	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+K"	38.963158
"300776"	408.282917	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+H+K"	39.970434
"701584"	602.431767	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+H+K"	39.970434
"1454674"	214.134067	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H+K"	39.970434
"247655"	818.629226	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+ACN+H"	42.033826
"1220359"	430.331526	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+ACN+H"	42.033826
"1204246"	215.669401	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+ACN+2H"	43.041102
"197116"	821.56656	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+2Na-H"	44.97116
"637772"	1209.86426	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+2Na-H"	44.97116
"1140182"	433.26886	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2Na-H"	44.97116
"184565"	411.286918	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+2Na"	45.978436
"625950"	605.435768	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+2Na"	45.978436
"1126174"	217.138068	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2Na"	45.978436
"1404597"	145.094470666667	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H+2Na"	46.985712
"1434530"	435.310446	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H+HCOOH"	47.012746
"232976"	416.31994	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+3H2O+2H"	56.04448
"1519946"	449.36249	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+IsoProp+H"	61.06479
"419632"	419.273888	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+Na+K"	61.952376
"779534"	613.422738	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+Na+K"	61.952376
"1672586"	225.125038	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Na+K"	61.952376
"261300"	840.611168	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+ACN+Na"	64.015768
"1235830"	452.313468	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+ACN+Na"	64.015768
"1719613"	452.336993	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+NH4+HCOOH"	64.039293
"1183875"	152.421784666667	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+3Na"	68.967654
"1654860"	457.292388	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Na+HCOOH"	68.994688
"171197"	853.51444	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+2K-H"	76.91904
"611120"	1241.81214	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+2K-H"	76.91904
"1090166"	465.21674	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2K-H"	76.91904
"153544"	427.260858	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"2M+2K"	77.926316
"590917"	621.409708	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"3M+2K"	77.926316
"1078710"	233.112008	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2K"	77.926316
"1110826"	467.231292	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2K+H"	78.933592
"1340651"	467.318907	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+DMSO+H"	79.021207
"1014649"	471.358076	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2ACN+H"	83.060376
"1529493"	472.351708	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+IsoProp+Na+H"	84.054008
"997035"	236.182676	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+2ACN+2H"	84.067652
"1595912"	473.266328	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+K+HCOOH"	84.968628
"1429352"	503.297838	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+H+CF3COOH"	115.000138
"1159515"	256.695951	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+3ACN+2H"	125.094202
"1711622"	520.324385	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+NH4+CF3COOH"	132.026685
"1641437"	525.27978	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+Na+CF3COOH"	136.98208
"1585838"	541.25372	"C15422"	"2alpha-Methyl-17beta-(tetrahydro-2H-pyran-2-yl)oxy-5alpha-androstan-3-one"	"C25H40O3"	"388.2977"	"M+K+CF3COOH"	152.95602
"806361"	374.2457	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M"	0
"983177"	355.22731	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H2O-H"	-19.01839
"67045"	248.489857333333	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-3H"	-3.021828
"510979"	373.238424	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-3H"	-3.021828
"884409"	123.741290666667	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-3H"	-3.021828
"11735"	373.238424	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H"	-2.014552
"449107"	560.361274	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H"	-2.014552
"830188"	186.115574	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H"	-2.014552
"86903"	747.484124	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-H"	-1.007276
"528649"	1121.729824	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-H"	-1.007276
"899896"	373.238424	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H"	-1.007276
"52084"	764.510671	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H+NH4"	16.019271
"487875"	1138.756371	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H+NH4"	16.019271
"867256"	390.264971	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H+NH4"	16.019271
"32605"	769.466066	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H+Na"	20.974666
"475815"	1143.711766	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H+Na"	20.974666
"861272"	395.220366	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H+Na"	20.974666
"1628618"	395.220366	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na-2H"	20.974666
"101866"	391.226763	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-H+Cl"	33.962126
"544706"	578.349613	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-H+Cl"	33.962126
"938220"	204.103913	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+Cl"	33.962126
"273497"	783.460802	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Cl"	34.969402
"667012"	1157.706502	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+Cl"	34.969402
"1277233"	409.215102	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl"	34.969402
"20886"	785.440006	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M-2H+K"	36.948606
"458260"	1159.685706	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M-2H+K"	36.948606
"833872"	411.194306	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-2H+K"	36.948606
"1556996"	411.194306	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K-2H"	36.948606
"948525"	419.243894	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+HCOOH"	44.998194
"364555"	793.489601	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+HCOOH-H"	44.998201
"351718"	807.505251	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Hac-H"	59.013851
"1501643"	433.259551	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Hac-H"	59.013851
"963718"	441.225851	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+NaCOOH"	66.980151
"125262"	409.215102	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2Cl"	69.938804
"555466"	596.337952	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2Cl"	69.938804
"1022686"	222.092252	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2Cl"	69.938804
"1243480"	453.164585	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Br"	78.918885
"1304469"	455.220572	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl+HCOOH"	80.974872
"1321604"	477.202529	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl+NaCOOH"	102.956829
"917035"	487.231286	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M-H+CF3COOH"	112.985586
"1291556"	523.207964	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Cl+CF3COOH"	148.962264
"1378471"	339.233024	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H-2H2O"	-35.012676
"1393781"	357.243	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H-H2O"	-17.0027
"289092"	749.498676	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H"	1.007276
"684794"	1123.744376	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H"	1.007276
"1358956"	375.252976	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H"	1.007276
"134031"	375.252976	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2H"	2.014552
"571406"	562.375826	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2H"	2.014552
"1044579"	188.130126	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2H"	2.014552
"211385"	250.504409333333	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+3H"	3.021828
"655320"	375.252976	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+3H"	3.021828
"1166884"	125.755842666667	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+3H"	3.021828
"431255"	766.525223	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+NH4"	18.033823
"797359"	1140.770923	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+NH4"	18.033823
"1687493"	392.279523	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+NH4"	18.033823
"338686"	383.7662495	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H+NH4"	19.041099
"737305"	570.8890995	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H+NH4"	19.041099
"1492221"	196.6433995	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+NH4"	19.041099
"406886"	771.480618	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Na"	22.989218
"766060"	1145.726318	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+Na"	22.989218
"1606507"	397.234918	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na"	22.989218
"320919"	386.243947	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H+Na"	23.996494
"710061"	573.366797	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H+Na"	23.996494
"1462424"	199.121097	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+Na"	23.996494
"1056036"	133.083156666667	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2H+Na"	25.00377
"1260992"	407.279186	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+CH3OH+H"	33.033486
"379567"	787.454558	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+K"	38.963158
"741656"	1161.700258	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+K"	38.963158
"1545893"	413.208858	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K"	38.963158
"301979"	394.230917	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+H+K"	39.970434
"694035"	581.353767	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+H+K"	39.970434
"1452597"	207.108067	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+K"	39.970434
"248859"	790.525226	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+ACN+H"	42.033826
"1220470"	416.279526	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+ACN+H"	42.033826
"1204357"	208.643401	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+ACN+2H"	43.041102
"193948"	793.46256	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2Na-H"	44.97116
"636788"	1167.70826	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2Na-H"	44.97116
"1138105"	419.21686	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2Na-H"	44.97116
"184675"	397.234918	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2Na"	45.978436
"620955"	584.357768	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2Na"	45.978436
"1127013"	210.112068	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2Na"	45.978436
"1407985"	140.410470666667	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+2Na"	46.985712
"1432452"	421.258446	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+HCOOH"	47.012746
"227620"	402.26794	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+3H2O+2H"	56.04448
"1514588"	435.31049	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+IsoProp+H"	61.06479
"416462"	405.221888	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+Na+K"	61.952376
"778550"	592.344738	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+Na+K"	61.952376
"1671602"	218.099038	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na+K"	61.952376
"259224"	812.507168	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+ACN+Na"	64.015768
"1233023"	438.261468	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+ACN+Na"	64.015768
"1717536"	438.284993	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+NH4+HCOOH"	64.039293
"1183985"	147.737784666667	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+3Na"	68.967654
"1653876"	443.240388	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na+HCOOH"	68.994688
"168390"	825.41044	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2K-H"	76.91904
"610137"	1199.65614	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2K-H"	76.91904
"1089183"	451.16474	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2K-H"	76.91904
"153654"	413.208858	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"2M+2K"	77.926316
"591027"	600.331708	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"3M+2K"	77.926316
"1071165"	226.086008	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2K"	77.926316
"1110936"	453.179292	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2K+H"	78.933592
"1340760"	453.266907	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+DMSO+H"	79.021207
"1010381"	457.306076	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2ACN+H"	83.060376
"1533977"	458.299708	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+IsoProp+Na+H"	84.054008
"993864"	229.156676	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+2ACN+2H"	84.067652
"1591648"	459.214328	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K+HCOOH"	84.968628
"1429097"	489.245838	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+H+CF3COOH"	115.000138
"1162300"	249.669951	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+3ACN+2H"	125.094202
"1709910"	506.272385	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+NH4+CF3COOH"	132.026685
"1640454"	511.22778	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+Na+CF3COOH"	136.98208
"1585948"	527.20172	"C15423"	"Androst-4-ene-3alpha17beta-diol diacetate;3alpha17beta-Diacetoxyandrost-4-ene"	"C23H34O4"	"374.2457"	"M+K+CF3COOH"	152.95602
"813032"	352.144	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M"	0
"983287"	333.12561	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-H2O-H"	-19.01839
"67155"	233.755390666667	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M-3H"	-3.021828
"505621"	351.136724	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M-3H"	-3.021828
"883425"	116.374057333333	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-3H"	-3.021828
"12937"	351.136724	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M-2H"	-2.014552
"451403"	527.208724	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M-2H"	-2.014552
"831028"	175.064724	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-2H"	-2.014552
"88107"	703.280724	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M-H"	-1.007276
"528759"	1055.424724	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M-H"	-1.007276
"902197"	351.136724	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-H"	-1.007276
"54384"	720.307271	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M-2H+NH4"	16.019271
"491756"	1072.451271	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M-2H+NH4"	16.019271
"865546"	368.163271	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-2H+NH4"	16.019271
"38552"	725.262666	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M-2H+Na"	20.974666
"475925"	1077.406666	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M-2H+Na"	20.974666
"860289"	373.118666	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-2H+Na"	20.974666
"1632012"	373.118666	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Na-2H"	20.974666
"101978"	369.125063	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M-H+Cl"	33.962126
"544817"	545.197063	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M-H+Cl"	33.962126
"941247"	193.053063	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-H+Cl"	33.962126
"276890"	739.257402	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+Cl"	34.969402
"672590"	1091.401402	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+Cl"	34.969402
"1277343"	387.113402	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Cl"	34.969402
"19907"	741.236606	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M-2H+K"	36.948606
"460562"	1093.380606	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M-2H+K"	36.948606
"838363"	389.092606	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-2H+K"	36.948606
"1564036"	389.092606	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+K-2H"	36.948606
"950825"	397.142194	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-H+HCOOH"	44.998194
"372320"	749.286201	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+HCOOH-H"	44.998201
"354017"	763.301851	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+Hac-H"	59.013851
"1500661"	411.157851	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Hac-H"	59.013851
"967108"	419.124151	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-H+NaCOOH"	66.980151
"125453"	387.113402	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+2Cl"	69.938804
"562135"	563.185402	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+2Cl"	69.938804
"1025103"	211.041402	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2Cl"	69.938804
"1242129"	431.062885	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Br"	78.918885
"1306769"	433.118872	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Cl+HCOOH"	80.974872
"1322077"	455.100829	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Cl+NaCOOH"	102.956829
"916780"	465.129586	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M-H+CF3COOH"	112.985586
"1289478"	501.106264	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Cl+CF3COOH"	148.962264
"1379312"	317.131324	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H-2H2O"	-35.012676
"1395717"	335.1413	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H-H2O"	-17.0027
"295400"	705.295276	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+H"	1.007276
"687456"	1057.439276	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+H"	1.007276
"1363806"	353.151276	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H"	1.007276
"134142"	353.151276	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+2H"	2.014552
"574434"	529.223276	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+2H"	2.014552
"1042866"	177.079276	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2H"	2.014552
"211497"	235.769942666667	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+3H"	3.021828
"653244"	353.151276	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+3H"	3.021828
"1170276"	118.388609333333	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+3H"	3.021828
"436840"	722.321823	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+NH4"	18.033823
"789086"	1074.465823	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+NH4"	18.033823
"1686511"	370.177823	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+NH4"	18.033823
"332601"	361.6645495	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+H+NH4"	19.041099
"736320"	537.7365495	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+H+NH4"	19.041099
"1485401"	185.5925495	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H+NH4"	19.041099
"401893"	727.277218	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+Na"	22.989218
"762890"	1079.421218	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+Na"	22.989218
"1605524"	375.133218	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Na"	22.989218
"319209"	364.142247	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+H+Na"	23.996494
"715644"	540.214247	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+H+Na"	23.996494
"1468370"	188.070247	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H+Na"	23.996494
"1057969"	125.715923333333	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2H+Na"	25.00377
"1264386"	385.177486	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+CH3OH+H"	33.033486
"380407"	743.251158	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+K"	38.963158
"741767"	1095.395158	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+K"	38.963158
"1544910"	391.107158	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+K"	38.963158
"302089"	372.129217	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+H+K"	39.970434
"692688"	548.201217	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+H+K"	39.970434
"1451614"	196.057217	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H+K"	39.970434
"242402"	746.321826	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+ACN+H"	42.033826
"1218394"	394.177826	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+ACN+H"	42.033826
"1205560"	197.592551	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+ACN+2H"	43.041102
"192965"	749.25916	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+2Na-H"	44.97116
"639084"	1101.40316	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+2Na-H"	44.97116
"1140403"	397.11516	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2Na-H"	44.97116
"180412"	375.133218	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+2Na"	45.978436
"623250"	551.205218	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+2Na"	45.978436
"1125664"	199.061218	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2Na"	45.978436
"1410282"	133.043237333333	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H+2Na"	46.985712
"1432562"	399.156746	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H+HCOOH"	47.012746
"228822"	380.16624	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+3H2O+2H"	56.04448
"1511418"	413.20879	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+IsoProp+H"	61.06479
"414386"	383.120188	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+Na+K"	61.952376
"775381"	559.192188	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+Na+K"	61.952376
"1671713"	207.048188	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Na+K"	61.952376
"263708"	768.303768	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+ACN+Na"	64.015768
"1236416"	416.159768	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+ACN+Na"	64.015768
"1720927"	416.183293	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+NH4+HCOOH"	64.039293
"1185188"	140.370551333333	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+3Na"	68.967654
"1655079"	421.138688	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Na+HCOOH"	68.994688
"171295"	781.20704	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+2K-H"	76.91904
"612436"	1133.35104	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+2K-H"	76.91904
"1090386"	429.06304	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2K-H"	76.91904
"150483"	391.107158	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"2M+2K"	77.926316
"592230"	567.179158	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"3M+2K"	77.926316
"1078930"	215.035158	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2K"	77.926316
"1109954"	431.077592	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2K+H"	78.933592
"1344150"	431.165207	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+DMSO+H"	79.021207
"1009399"	435.204376	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2ACN+H"	83.060376
"1534087"	436.198008	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+IsoProp+Na+H"	84.054008
"993974"	218.105826	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+2ACN+2H"	84.067652
"1595038"	437.112628	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+K+HCOOH"	84.968628
"1428844"	467.144138	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+H+CF3COOH"	115.000138
"1159735"	238.619101	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+3ACN+2H"	125.094202
"1710383"	484.170685	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+NH4+CF3COOH"	132.026685
"1648219"	489.12608	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+Na+CF3COOH"	136.98208
"1576217"	505.10002	"C15424"	"Estra-135(10)-triene-317beta-diol 3-phosphate;Estra-135(10)-triene-317beta-diol 3-(dihydrogen phosphate);17beta-Estradiol 3-phosphate"	"C18H25O5P"	"352.144"	"M+K+CF3COOH"	152.95602
"806581"	430.2355	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M"	0
"979023"	411.21711	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-H2O-H"	-19.01839
"67265"	285.816390666667	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M-3H"	-3.021828
"505731"	429.228224	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M-3H"	-3.021828
"881466"	142.404557333333	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-3H"	-3.021828
"4295"	429.228224	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M-2H"	-2.014552
"450417"	644.345974	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M-2H"	-2.014552
"826032"	214.110474	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-2H"	-2.014552
"87119"	859.463724	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M-H"	-1.007276
"528867"	1289.699224	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M-H"	-1.007276
"902307"	429.228224	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-H"	-1.007276
"54494"	876.490271	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M-2H+NH4"	16.019271
"492959"	1306.725771	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M-2H+NH4"	16.019271
"865413"	446.254771	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-2H+NH4"	16.019271
"38662"	881.445666	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M-2H+Na"	20.974666
"476035"	1311.681166	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M-2H+Na"	20.974666
"859305"	451.210166	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-2H+Na"	20.974666
"1632121"	451.210166	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Na-2H"	20.974666
"102088"	447.216563	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M-H+Cl"	33.962126
"547114"	662.334313	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M-H+Cl"	33.962126
"940264"	232.098813	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-H+Cl"	33.962126
"280280"	895.440402	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+Cl"	34.969402
"672700"	1325.675902	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+Cl"	34.969402
"1278546"	465.204902	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Cl"	34.969402
"22934"	897.419606	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M-2H+K"	36.948606
"465046"	1327.655106	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M-2H+K"	36.948606
"839568"	467.184106	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-2H+K"	36.948606
"1566332"	467.184106	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+K-2H"	36.948606
"954215"	475.233694	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-H+HCOOH"	44.998194
"370243"	905.469201	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+HCOOH-H"	44.998201
"357407"	919.484851	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+Hac-H"	59.013851
"1506603"	489.249351	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Hac-H"	59.013851
"968312"	497.215651	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-H+NaCOOH"	66.980151
"124875"	465.204902	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+2Cl"	69.938804
"562245"	680.322652	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+2Cl"	69.938804
"1027765"	250.087152	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2Cl"	69.938804
"1242116"	509.154385	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Br"	78.918885
"1307608"	511.210372	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Cl+HCOOH"	80.974872
"1322915"	533.192329	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Cl+NaCOOH"	102.956829
"917619"	543.221086	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M-H+CF3COOH"	112.985586
"1289950"	579.197764	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Cl+CF3COOH"	148.962264
"1379058"	395.222824	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H-2H2O"	-35.012676
"1394733"	413.2328	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H-H2O"	-17.0027
"296239"	861.478276	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+H"	1.007276
"687202"	1291.713776	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+H"	1.007276
"1362458"	431.242776	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H"	1.007276
"137533"	431.242776	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+2H"	2.014552
"574904"	646.360526	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+2H"	2.014552
"1045892"	216.125026	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2H"	2.014552
"210512"	287.830942666667	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+3H"	3.021828
"653354"	431.242776	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+3H"	3.021828
"1171477"	144.419109333333	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+3H"	3.021828
"432563"	878.504823	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+NH4"	18.033823
"793570"	1308.740323	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+NH4"	18.033823
"1687715"	448.269323	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+NH4"	18.033823
"335990"	439.7560495	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+H+NH4"	19.041099
"738133"	654.8737995	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+H+NH4"	19.041099
"1487697"	224.6382995	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H+NH4"	19.041099
"400910"	883.460218	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+Na"	22.989218
"761906"	1313.695718	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+Na"	22.989218
"1607821"	453.224718	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Na"	22.989218
"321141"	442.233747	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+H+Na"	23.996494
"715754"	657.351497	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+H+Na"	23.996494
"1468480"	227.115997	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H+Na"	23.996494
"1061725"	151.746423333333	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2H+Na"	25.00377
"1263403"	463.268986	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+CH3OH+H"	33.033486
"380153"	899.434158	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+K"	38.963158
"742970"	1329.669658	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+K"	38.963158
"1547206"	469.198658	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+K"	38.963158
"302199"	450.220717	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+H+K"	39.970434
"694620"	665.338467	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+H+K"	39.970434
"1451724"	235.102967	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H+K"	39.970434
"240325"	902.504826	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+ACN+H"	42.033826
"1219597"	472.269326	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+ACN+H"	42.033826
"1205670"	236.638301	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+ACN+2H"	43.041102
"202911"	905.44216	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+2Na-H"	44.97116
"638101"	1335.67766	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+2Na-H"	44.97116
"1141605"	475.20666	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2Na-H"	44.97116
"180521"	453.224718	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+2Na"	45.978436
"623360"	668.342468	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+2Na"	45.978436
"1127961"	238.106968	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2Na"	45.978436
"1409299"	159.073737333333	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H+2Na"	46.985712
"1435951"	477.248246	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H+HCOOH"	47.012746
"225651"	458.25774	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+3H2O+2H"	56.04448
"1511528"	491.30029	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+IsoProp+H"	61.06479
"413403"	461.211688	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+Na+K"	61.952376
"775491"	676.329438	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+Na+K"	61.952376
"1669636"	246.093938	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Na+K"	61.952376
"261631"	924.486768	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+ACN+Na"	64.015768
"1236160"	494.251268	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+ACN+Na"	64.015768
"1721036"	494.274793	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+NH4+HCOOH"	64.039293
"1186391"	166.401051333333	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+3Na"	68.967654
"1654096"	499.230188	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Na+HCOOH"	68.994688
"168610"	937.39004	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+2K-H"	76.91904
"607077"	1367.62554	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+2K-H"	76.91904
"1092682"	507.15454	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2K-H"	76.91904
"150593"	469.198658	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"2M+2K"	77.926316
"591247"	684.316408	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"3M+2K"	77.926316
"1075760"	254.080908	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2K"	77.926316
"1111156"	509.169092	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2K+H"	78.933592
"1342073"	509.256707	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+DMSO+H"	79.021207
"1009509"	513.295876	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2ACN+H"	83.060376
"1526542"	514.289508	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+IsoProp+Na+H"	84.054008
"997364"	257.151576	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+2ACN+2H"	84.067652
"1587207"	515.204128	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+K+HCOOH"	84.968628
"1426276"	545.235638	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+H+CF3COOH"	115.000138
"1161794"	277.664851	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+3ACN+2H"	125.094202
"1708306"	562.262185	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+NH4+CF3COOH"	132.026685
"1648329"	567.21758	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+Na+CF3COOH"	136.98208
"1576327"	583.19152	"C15425"	"21-Hydroxypregn-4-ene-320-dione hydrogen succinate;21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-320-dione;11-Deoxycorticosterone hydrogen succinate"	"C25H34O6"	"430.2355"	"M+K+CF3COOH"	152.95602
"806691"	771.8183	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M"	0
"977310"	752.79991	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-H2O-H"	-19.01839
"65552"	513.538257333333	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M-3H"	-3.021828
"505112"	770.811024	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M-3H"	-3.021828
"882549"	256.265490666667	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-3H"	-3.021828
"2582"	770.811024	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M-2H"	-2.014552
"451620"	1156.720174	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M-2H"	-2.014552
"826142"	384.901874	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-2H"	-2.014552
"82853"	1542.629324	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M-H"	-1.007276
"526790"	2314.447624	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M-H"	-1.007276
"902417"	770.811024	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-H"	-1.007276
"53511"	1559.655871	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M-2H+NH4"	16.019271
"496349"	2331.474171	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M-2H+NH4"	16.019271
"869774"	787.837571	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-2H+NH4"	16.019271
"38772"	1564.611266	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M-2H+Na"	20.974666
"476145"	2336.429566	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M-2H+Na"	20.974666
"859415"	792.792966	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-2H+Na"	20.974666
"1631135"	792.792966	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Na-2H"	20.974666
"105478"	788.799363	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M-H+Cl"	33.962126
"549410"	1174.708513	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M-H+Cl"	33.962126
"940738"	402.890213	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-H+Cl"	33.962126
"280390"	1578.606002	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+Cl"	34.969402
"673903"	2350.424302	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+Cl"	34.969402
"1278656"	806.787702	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Cl"	34.969402
"22314"	1580.585206	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M-2H+K"	36.948606
"467340"	2352.403506	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M-2H+K"	36.948606
"844050"	808.766906	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-2H+K"	36.948606
"1568629"	808.766906	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+K-2H"	36.948606
"951045"	816.816494	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-H+HCOOH"	44.998194
"370353"	1588.634801	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+HCOOH-H"	44.998201
"358246"	1602.650451	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+Hac-H"	59.013851
"1506347"	830.832151	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Hac-H"	59.013851
"969515"	838.798451	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-H+NaCOOH"	66.980151
"124982"	806.787702	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+2Cl"	69.938804
"559075"	1192.696852	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+2Cl"	69.938804
"1028239"	420.878552	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2Cl"	69.938804
"1242714"	850.737185	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Br"	78.918885
"1308081"	852.793172	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Cl+HCOOH"	80.974872
"1323389"	874.775129	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Cl+NaCOOH"	102.956829
"915541"	884.803886	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M-H+CF3COOH"	112.985586
"1288963"	920.780564	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Cl+CF3COOH"	148.962264
"1379168"	736.805624	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H-2H2O"	-35.012676
"1397275"	754.8156	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H-H2O"	-17.0027
"296714"	1544.643876	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+H"	1.007276
"686948"	2316.462176	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+H"	1.007276
"1362203"	772.825576	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H"	1.007276
"140195"	772.825576	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+2H"	2.014552
"576839"	1158.734726	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+2H"	2.014552
"1048918"	386.916426	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2H"	2.014552
"213903"	515.552809333333	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+3H"	3.021828
"652371"	772.825576	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+3H"	3.021828
"1171587"	258.280042666667	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+3H"	3.021828
"433766"	1561.670423	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+NH4"	18.033823
"793680"	2333.488723	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+NH4"	18.033823
"1687825"	789.852123	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+NH4"	18.033823
"335007"	781.3388495	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+H+NH4"	19.041099
"736176"	1167.2479995	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+H+NH4"	19.041099
"1486714"	395.4296995	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H+NH4"	19.041099
"401020"	1566.625818	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+Na"	22.989218
"762016"	2338.444118	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+Na"	22.989218
"1610119"	794.807518	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Na"	22.989218
"317967"	783.816547	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+H+Na"	23.996494
"712579"	1169.725697	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+H+Na"	23.996494
"1468588"	397.907397	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H+Na"	23.996494
"1056368"	265.607356666667	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2H+Na"	25.00377
"1263513"	804.851786	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+CH3OH+H"	33.033486
"383177"	1582.599758	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+K"	38.963158
"744170"	2354.418058	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+K"	38.963158
"1546223"	810.781458	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+K"	38.963158
"302673"	791.803517	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+H+K"	39.970434
"694002"	1177.712667	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+H+K"	39.970434
"1449643"	405.894367	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H+K"	39.970434
"237155"	1585.670426	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+ACN+H"	42.033826
"1219706"	813.852126	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+ACN+H"	42.033826
"1207602"	407.429701	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+ACN+2H"	43.041102
"201928"	1588.60776	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+2Na-H"	44.97116
"639304"	2360.42606	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+2Na-H"	44.97116
"1140622"	816.78946	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2Na-H"	44.97116
"179539"	794.807518	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+2Na"	45.978436
"622377"	1180.716668	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+2Na"	45.978436
"1128071"	408.898368	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2Na"	45.978436
"1409409"	272.934670666667	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H+2Na"	46.985712
"1437154"	818.831046	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H+HCOOH"	47.012746
"227949"	799.84054	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+3H2O+2H"	56.04448
"1519291"	832.88309	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+IsoProp+H"	61.06479
"413511"	802.794488	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+Na+K"	61.952376
"778881"	1188.703638	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+Na+K"	61.952376
"1669746"	416.885338	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Na+K"	61.952376
"259554"	1607.652368	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+ACN+Na"	64.015768
"1231168"	835.834068	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+ACN+Na"	64.015768
"1717867"	835.857593	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+NH4+HCOOH"	64.039293
"1185408"	280.261984666667	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+3Na"	68.967654
"1656393"	840.812988	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Na+HCOOH"	68.994688
"171515"	1620.55564	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+2K-H"	76.91904
"610467"	2392.37394	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+2K-H"	76.91904
"1092793"	848.73734	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2K-H"	76.91904
"151796"	810.781458	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"2M+2K"	77.926316
"591357"	1196.690608	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"3M+2K"	77.926316
"1073682"	424.872308	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2K"	77.926316
"1111266"	850.751892	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2K+H"	78.933592
"1344370"	850.839507	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+DMSO+H"	79.021207
"1010713"	854.878676	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2ACN+H"	83.060376
"1527746"	855.872308	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+IsoProp+Na+H"	84.054008
"997474"	427.942976	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+2ACN+2H"	84.067652
"1588331"	856.786928	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+K+HCOOH"	84.968628
"1426386"	886.818438	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+H+CF3COOH"	115.000138
"1162470"	448.456251	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+3ACN+2H"	125.094202
"1709509"	903.844985	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+NH4+CF3COOH"	132.026685
"1648439"	908.80038	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+Na+CF3COOH"	136.98208
"1576437"	924.77432	"C15426"	"25-Bis(iodomercuri)methyl-p-dioxane"	"C6H10Hg2I2O2"	"771.8183"	"M+K+CF3COOH"	152.95602
"806801"	281.0374	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M"	0
"975963"	262.01901	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-H2O-H"	-19.01839
"65298"	186.350990666667	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M-3H"	-3.021828
"503155"	280.030124	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M-3H"	-3.021828
"881929"	92.6718573333333	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-3H"	-3.021828
"1840"	280.030124	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M-2H"	-2.014552
"450637"	420.548824	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M-2H"	-2.014552
"827345"	139.511424	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-2H"	-2.014552
"81870"	561.067524	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M-H"	-1.007276
"525806"	842.104924	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M-H"	-1.007276
"905807"	280.030124	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-H"	-1.007276
"59087"	578.094071	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M-2H+NH4"	16.019271
"497552"	859.131471	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M-2H+NH4"	16.019271
"870977"	297.056671	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-2H+NH4"	16.019271
"39975"	583.049466	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M-2H+Na"	20.974666
"477348"	864.086866	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M-2H+Na"	20.974666
"859525"	302.012066	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-2H+Na"	20.974666
"1631245"	302.012066	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Na-2H"	20.974666
"105588"	298.018463	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M-H+Cl"	33.962126
"546240"	438.537163	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M-H+Cl"	33.962126
"941577"	157.499763	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-H+Cl"	33.962126
"277219"	597.044202	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+Cl"	34.969402
"667453"	878.081602	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+Cl"	34.969402
"1278765"	316.006802	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Cl"	34.969402
"27163"	599.023406	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M-2H+K"	36.948606
"467451"	880.060806	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M-2H+K"	36.948606
"844889"	317.986006	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-2H+K"	36.948606
"1567646"	317.986006	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+K-2H"	36.948606
"951155"	326.035594	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-H+HCOOH"	44.998194
"370463"	607.073001	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+HCOOH-H"	44.998201
"358720"	621.088651	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+Hac-H"	59.013851
"1506457"	340.051251	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Hac-H"	59.013851
"969625"	348.017551	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-H+NaCOOH"	66.980151
"122906"	316.006802	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+2Cl"	69.938804
"559185"	456.525502	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+2Cl"	69.938804
"1028349"	175.488102	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2Cl"	69.938804
"1242825"	359.956285	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Br"	78.918885
"1307097"	362.012272	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Cl+HCOOH"	80.974872
"1320094"	383.994229	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Cl+NaCOOH"	102.956829
"915651"	394.022986	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M-H+CF3COOH"	112.985586
"1288588"	429.999664	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Cl+CF3COOH"	148.962264
"1377819"	246.024724	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H-2H2O"	-35.012676
"1396410"	264.0347	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H-H2O"	-17.0027
"295001"	563.082076	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+H"	1.007276
"685599"	844.119476	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+H"	1.007276
"1359396"	282.044676	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H"	1.007276
"133378"	282.044676	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+2H"	2.014552
"576949"	422.563376	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+2H"	2.014552
"1050123"	141.525976	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2H"	2.014552
"214013"	188.365542666667	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+3H"	3.021828
"652480"	282.044676	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+3H"	3.021828
"1172791"	94.6864093333333	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+3H"	3.021828
"432784"	580.108623	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+NH4"	18.033823
"794884"	861.146023	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+NH4"	18.033823
"1687935"	299.071223	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+NH4"	18.033823
"337304"	290.5579495	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+H+NH4"	19.041099
"735557"	431.0766495	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+H+NH4"	19.041099
"1486824"	150.0392495	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H+NH4"	19.041099
"400037"	585.064018	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+Na"	22.989218
"761033"	866.101418	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+Na"	22.989218
"1608041"	304.026618	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Na"	22.989218
"318078"	293.035647	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+H+Na"	23.996494
"708067"	433.554347	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+H+Na"	23.996494
"1462494"	152.516947	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H+Na"	23.996494
"1060850"	102.013723333333	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2H+Na"	25.00377
"1266902"	314.070886	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+CH3OH+H"	33.033486
"381100"	601.037958	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+K"	38.963158
"742093"	882.075358	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+K"	38.963158
"1545239"	320.000558	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+K"	38.963158
"302419"	301.022617	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+H+K"	39.970434
"693748"	441.541317	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+H+K"	39.970434
"1447567"	160.503917	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H+K"	39.970434
"236171"	604.108626	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+ACN+H"	42.033826
"1217630"	323.071226	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+ACN+H"	42.033826
"1209170"	162.039251	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+ACN+2H"	43.041102
"200945"	607.04596	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+2Na-H"	44.97116
"640508"	888.08336	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+2Na-H"	44.97116
"1140733"	326.00856	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2Na-H"	44.97116
"180742"	304.026618	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+2Na"	45.978436
"621759"	444.545318	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+2Na"	45.978436
"1124537"	163.507918	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2Na"	45.978436
"1406239"	109.341037333333	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H+2Na"	46.985712
"1438357"	328.050146	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H+HCOOH"	47.012746
"228056"	309.05964	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+3H2O+2H"	56.04448
"1513934"	342.10219	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+IsoProp+H"	61.06479
"410706"	312.013588	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+Na+K"	61.952376
"772431"	452.532288	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+Na+K"	61.952376
"1669856"	171.494888	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Na+K"	61.952376
"255289"	626.090568	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+ACN+Na"	64.015768
"1229091"	345.053168	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+ACN+Na"	64.015768
"1721257"	345.076693	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+NH4+HCOOH"	64.039293
"1183331"	116.668351333333	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+3Na"	68.967654
"1656503"	350.032088	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Na+HCOOH"	68.994688
"169922"	638.99384	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+2K-H"	76.91904
"609483"	920.03124	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+2K-H"	76.91904
"1093996"	357.95644	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2K-H"	76.91904
"152999"	320.000558	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"2M+2K"	77.926316
"591467"	460.519258	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"3M+2K"	77.926316
"1074885"	179.481858	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2K"	77.926316
"1111376"	359.970992	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2K+H"	78.933592
"1344480"	360.058607	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+DMSO+H"	79.021207
"1011916"	364.097776	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2ACN+H"	83.060376
"1528946"	365.091408	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+IsoProp+Na+H"	84.054008
"991386"	182.552526	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+2ACN+2H"	84.067652
"1588198"	366.006028	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+K+HCOOH"	84.968628
"1423215"	396.037538	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+H+CF3COOH"	115.000138
"1162738"	203.065801	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+3ACN+2H"	125.094202
"1709619"	413.064085	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+NH4+CF3COOH"	132.026685
"1647456"	418.01948	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+Na+CF3COOH"	136.98208
"1576547"	433.99342	"C15427"	"2-Amino-12-bis(p-chlorophenyl)ethanol"	"C14H13Cl2NO"	"281.0374"	"M+K+CF3COOH"	152.95602
"812382"	958.5137	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M"	0
"976073"	939.49531	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-H2O-H"	-19.01839
"66501"	638.001857333333	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M-3H"	-3.021828
"506061"	957.506424	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M-3H"	-3.021828
"882768"	318.497290666667	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-3H"	-3.021828
"3533"	957.506424	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M-2H"	-2.014552
"450749"	1436.763274	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M-2H"	-2.014552
"827456"	478.249574	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-2H"	-2.014552
"85261"	1916.020124	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M-H"	-1.007276
"527009"	2874.533824	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M-H"	-1.007276
"907009"	957.506424	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-H"	-1.007276
"53729"	1933.046671	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M-2H+NH4"	16.019271
"494382"	2891.560371	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M-2H+NH4"	16.019271
"867808"	974.532971	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-2H+NH4"	16.019271
"40085"	1938.002066	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M-2H+Na"	20.974666
"477458"	2896.515766	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M-2H+Na"	20.974666
"860728"	979.488366	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-2H+Na"	20.974666
"1631355"	979.488366	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Na-2H"	20.974666
"105698"	975.494763	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M-H+Cl"	33.962126
"543070"	1454.751613	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M-H+Cl"	33.962126
"936584"	496.237913	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-H+Cl"	33.962126
"274049"	1951.996802	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+Cl"	34.969402
"667563"	2910.510502	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+Cl"	34.969402
"1279969"	993.483102	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Cl"	34.969402
"19245"	1953.976006	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M-2H+K"	36.948606
"466466"	2912.489706	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M-2H+K"	36.948606
"843176"	995.462306	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-2H+K"	36.948606
"1566663"	995.462306	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+K-2H"	36.948606
"948710"	1003.511894	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-H+HCOOH"	44.998194
"368021"	1962.025601	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+HCOOH-H"	44.998201
"350446"	1976.041251	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+Hac-H"	59.013851
"1500007"	1017.527551	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Hac-H"	59.013851
"969735"	1025.493851	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-H+NaCOOH"	66.980151
"119007"	993.483102	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+2Cl"	69.938804
"552732"	1472.739952	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+2Cl"	69.938804
"1031375"	514.226252	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2Cl"	69.938804
"1242570"	1037.432585	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Br"	78.918885
"1304235"	1039.488572	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Cl+HCOOH"	80.974872
"1320323"	1061.470529	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Cl+NaCOOH"	102.956829
"916492"	1071.499286	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M-H+CF3COOH"	112.985586
"1289182"	1107.475964	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Cl+CF3COOH"	148.962264
"1374649"	923.501024	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H-2H2O"	-35.012676
"1396520"	941.511	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H-H2O"	-17.0027
"294382"	1918.034676	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+H"	1.007276
"685345"	2876.548376	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+H"	1.007276
"1363882"	959.520976	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H"	1.007276
"137864"	959.520976	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+2H"	2.014552
"576696"	1438.777826	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+2H"	2.014552
"1049140"	480.264126	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2H"	2.014552
"215216"	640.016409333333	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+3H"	3.021828
"656964"	959.520976	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+3H"	3.021828
"1177274"	320.511842666667	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+3H"	3.021828
"436173"	1935.061223	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+NH4"	18.033823
"799000"	2893.574923	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+NH4"	18.033823
"1695330"	976.547523	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+NH4"	18.033823
"339600"	968.0342495	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+H+NH4"	19.041099
"735667"	1447.2910995	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+H+NH4"	19.041099
"1485841"	488.7773995	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H+NH4"	19.041099
"402334"	1940.016618	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+Na"	22.989218
"763328"	2898.530318	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+Na"	22.989218
"1605965"	981.502918	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Na"	22.989218
"320374"	970.511947	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+H+Na"	23.996494
"709515"	1449.768797	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+H+Na"	23.996494
"1464429"	491.255097	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H+Na"	23.996494
"1053298"	327.839156666667	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2H+Na"	25.00377
"1264823"	991.547186	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+CH3OH+H"	33.033486
"378658"	1955.990558	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+K"	38.963158
"740744"	2914.504258	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+K"	38.963158
"1545349"	997.476858	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+K"	38.963158
"301436"	978.498917	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+H+K"	39.970434
"694951"	1457.755767	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+H+K"	39.970434
"1448040"	499.242067	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H+K"	39.970434
"237739"	1959.061226	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+ACN+H"	42.033826
"1219926"	1000.547526	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+ACN+H"	42.033826
"1207095"	500.777401	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+ACN+2H"	43.041102
"201055"	1961.99856	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+2Na-H"	44.97116
"640254"	2920.51226	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+2Na-H"	44.97116
"1141937"	1003.48486	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2Na-H"	44.97116
"180852"	981.502918	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+2Na"	45.978436
"620413"	1460.759768	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+2Na"	45.978436
"1122825"	502.246068	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2Na"	45.978436
"1401974"	335.166470666667	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H+2Na"	46.985712
"1435184"	1005.526446	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H+HCOOH"	47.012746
"228160"	986.53594	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+3H2O+2H"	56.04448
"1517323"	1019.57849	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+IsoProp+H"	61.06479
"420295"	989.489888	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+Na+K"	61.952376
"776916"	1468.746738	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+Na+K"	61.952376
"1680176"	510.233038	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Na+K"	61.952376
"256493"	1981.043168	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+ACN+Na"	64.015768
"1232482"	1022.529468	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+ACN+Na"	64.015768
"1719179"	1022.552993	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+NH4+HCOOH"	64.039293
"1190000"	342.493784666667	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+3Na"	68.967654
"1663174"	1027.508388	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Na+HCOOH"	68.994688
"165660"	1993.94644	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+2K-H"	76.91904
"607407"	2952.46014	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+2K-H"	76.91904
"1093012"	1035.43274	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2K-H"	76.91904
"153109"	997.476858	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"2M+2K"	77.926316
"594616"	1476.733708	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"3M+2K"	77.926316
"1078277"	518.220008	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2K"	77.926316
"1108208"	1037.447292	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2K+H"	78.933592
"1345684"	1037.534907	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+DMSO+H"	79.021207
"1009841"	1041.574076	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2ACN+H"	83.060376
"1526872"	1042.567708	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+IsoProp+Na+H"	84.054008
"999883"	521.290676	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+2ACN+2H"	84.067652
"1602696"	1043.482328	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+K+HCOOH"	84.968628
"1427700"	1073.513838	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+H+CF3COOH"	115.000138
"1156894"	541.803951	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+3ACN+2H"	125.094202
"1707542"	1090.540385	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+NH4+CF3COOH"	132.026685
"1639911"	1095.49578	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+Na+CF3COOH"	136.98208
"1576657"	1111.46972	"C15428"	"Asiaticoside;Madecassol"	"C48H78O19"	"958.5137"	"M+K+CF3COOH"	152.95602
"811400"	460.2097	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M"	0
"975090"	441.19131	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-H2O-H"	-19.01839
"64425"	305.799190666667	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M-3H"	-3.021828
"507265"	459.202424	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M-3H"	-3.021828
"883972"	152.395957333333	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-3H"	-3.021828
"5829"	459.202424	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M-2H"	-2.014552
"451952"	689.307274	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M-2H"	-2.014552
"827566"	229.097574	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-2H"	-2.014552
"84278"	919.412124	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M-H"	-1.007276
"528213"	1379.621824	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M-H"	-1.007276
"899463"	459.202424	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-H"	-1.007276
"51652"	936.438671	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M-2H+NH4"	16.019271
"489023"	1396.648371	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M-2H+NH4"	16.019271
"865733"	476.228971	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-2H+NH4"	16.019271
"36915"	941.394066	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M-2H+Na"	20.974666
"476475"	1401.603766	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M-2H+Na"	20.974666
"858652"	481.184366	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-2H+Na"	20.974666
"1625998"	481.184366	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Na-2H"	20.974666
"96694"	477.190763	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M-H+Cl"	33.962126
"539899"	707.295613	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M-H+Cl"	33.962126
"928068"	247.085913	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-H+Cl"	33.962126
"267798"	955.388802	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+Cl"	34.969402
"662203"	1415.598502	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+Cl"	34.969402
"1280079"	495.179102	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Cl"	34.969402
"19355"	957.368006	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M-2H+K"	36.948606
"463297"	1417.577706	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M-2H+K"	36.948606
"842192"	497.158306	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-2H+K"	36.948606
"1563493"	497.158306	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+K-2H"	36.948606
"946634"	505.207894	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-H+HCOOH"	44.998194
"368131"	965.417601	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+HCOOH-H"	44.998201
"352743"	979.433251	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+Hac-H"	59.013851
"1499024"	519.223551	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Hac-H"	59.013851
"965836"	527.189851	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-H+NaCOOH"	66.980151
"114744"	495.179102	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+2Cl"	69.938804
"555396"	725.283952	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+2Cl"	69.938804
"1028569"	265.074252	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2Cl"	69.938804
"1241707"	539.128585	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Br"	78.918885
"1305130"	541.184572	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Cl+HCOOH"	80.974872
"1320355"	563.166529	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Cl+NaCOOH"	102.956829
"914414"	573.195286	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M-H+CF3COOH"	112.985586
"1289050"	609.171964	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Cl+CF3COOH"	148.962264
"1377675"	425.197024	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H-2H2O"	-35.012676
"1391162"	443.207	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H-H2O"	-17.0027
"291576"	921.426676	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+H"	1.007276
"685091"	1381.636376	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+H"	1.007276
"1363992"	461.216976	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H"	1.007276
"137974"	461.216976	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+2H"	2.014552
"579723"	691.321826	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+2H"	2.014552
"1048521"	231.112126	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2H"	2.014552
"216419"	307.813742666667	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+3H"	3.021828
"657074"	461.216976	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+3H"	3.021828
"1170823"	154.410509333333	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+3H"	3.021828
"436284"	938.453223	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+NH4"	18.033823
"799842"	1398.662923	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+NH4"	18.033823
"1691430"	478.243523	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+NH4"	18.033823
"339711"	469.7302495	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+H+NH4"	19.041099
"733225"	699.8350995	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+H+NH4"	19.041099
"1488140"	239.6253995	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H+NH4"	19.041099
"400256"	943.408618	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+Na"	22.989218
"759064"	1403.618318	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+Na"	22.989218
"1607169"	483.198918	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Na"	22.989218
"320485"	472.207947	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+H+Na"	23.996494
"710720"	702.312797	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+H+Na"	23.996494
"1463810"	242.103097	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H+Na"	23.996494
"1055599"	161.737823333333	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2H+Na"	25.00377
"1264933"	493.243186	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+CH3OH+H"	33.033486
"381320"	959.382558	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+K"	38.963158
"743407"	1419.592258	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+K"	38.963158
"1548740"	499.172858	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+K"	38.963158
"303734"	480.194917	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+H+K"	39.970434
"697248"	710.299767	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+H+K"	39.970434
"1452161"	250.090067	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H+K"	39.970434
"246232"	962.453226	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+ACN+H"	42.033826
"1221127"	502.243526	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+ACN+H"	42.033826
"1203920"	251.625401	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+ACN+2H"	43.041102
"201166"	965.39056	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+2Na-H"	44.97116
"640725"	1425.60026	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+2Na-H"	44.97116
"1139859"	505.18086	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2Na-H"	44.97116
"183150"	483.198918	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+2Na"	45.978436
"621251"	713.303768	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+2Na"	45.978436
"1124030"	253.094068	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2Na"	45.978436
"1406093"	169.065137333333	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H+2Na"	46.985712
"1438938"	507.222446	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H+HCOOH"	47.012746
"228999"	488.23194	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+3H2O+2H"	56.04448
"1519985"	521.27449	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+IsoProp+H"	61.06479
"416025"	491.185888	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+Na+K"	61.952376
"777751"	721.290738	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+Na+K"	61.952376
"1668252"	261.081038	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Na+K"	61.952376
"256602"	984.435168	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+ACN+Na"	64.015768
"1230404"	524.225468	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+ACN+Na"	64.015768
"1719290"	524.248993	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+NH4+HCOOH"	64.039293
"1185735"	176.392451333333	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+3Na"	68.967654
"1660002"	529.204388	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Na+HCOOH"	68.994688
"164676"	997.33844	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+2K-H"	76.91904
"608610"	1457.54814	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+2K-H"	76.91904
"1090935"	537.12874	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2K-H"	76.91904
"151032"	499.172858	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"2M+2K"	77.926316
"594726"	729.277708	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"3M+2K"	77.926316
"1077294"	269.068008	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2K"	77.926316
"1106131"	539.143292	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2K+H"	78.933592
"1343608"	539.230907	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+DMSO+H"	79.021207
"1008857"	543.270076	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2ACN+H"	83.060376
"1525889"	544.263708	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+IsoProp+Na+H"	84.054008
"999993"	272.138676	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+2ACN+2H"	84.067652
"1601057"	545.178328	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+K+HCOOH"	84.968628
"1426717"	575.209838	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+H+CF3COOH"	115.000138
"1154817"	292.651951	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+3ACN+2H"	125.094202
"1707651"	592.236385	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+NH4+CF3COOH"	132.026685
"1640021"	597.19178	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+Na+CF3COOH"	136.98208
"1576767"	613.16572	"C15429"	"1721-Dihydroxypregn-4-ene-31120-trione 21-(hydrogensuccinate);21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-31120-trione;Cortisone 21-succinate"	"C25H32O8"	"460.2097"	"M+K+CF3COOH"	152.95602
"812603"	343.1784	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M"	0
"975562"	324.16001	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-H2O-H"	-19.01839
"64897"	227.778324	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M-3H"	-3.021828
"503725"	342.171124	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M-3H"	-3.021828
"881167"	113.385524	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-3H"	-3.021828
"12504"	342.171124	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M-2H"	-2.014552
"450971"	513.760324	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M-2H"	-2.014552
"827682"	170.581924	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-2H"	-2.014552
"86576"	685.349524	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M-H"	-1.007276
"529417"	1028.527924	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M-H"	-1.007276
"903945"	342.171124	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-H"	-1.007276
"52852"	702.376071	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M-2H+NH4"	16.019271
"492413"	1045.554471	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M-2H+NH4"	16.019271
"868028"	359.197671	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-2H+NH4"	16.019271
"40305"	707.331466	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M-2H+Na"	20.974666
"477678"	1050.509866	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M-2H+Na"	20.974666
"859855"	364.153066	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-2H+Na"	20.974666
"1623921"	364.153066	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Na-2H"	20.974666
"97168"	360.159463	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M-H+Cl"	33.962126
"540009"	531.748663	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M-H+Cl"	33.962126
"933525"	188.570263	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-H+Cl"	33.962126
"270987"	721.326202	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+Cl"	34.969402
"661585"	1064.504602	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+Cl"	34.969402
"1280189"	378.147802	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Cl"	34.969402
"19465"	723.305406	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M-2H+K"	36.948606
"465593"	1066.483806	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M-2H+K"	36.948606
"842303"	380.127006	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-2H+K"	36.948606
"1564695"	380.127006	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+K-2H"	36.948606
"947837"	388.176594	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-H+HCOOH"	44.998194
"369334"	731.355001	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+HCOOH-H"	44.998201
"357959"	745.370651	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+Hac-H"	59.013851
"1504602"	402.192251	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Hac-H"	59.013851
"966677"	410.158551	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-H+NaCOOH"	66.980151
"119958"	378.147802	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+2Cl"	69.938804
"558422"	549.737002	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+2Cl"	69.938804
"1028679"	206.558602	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2Cl"	69.938804
"1243883"	422.097285	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Br"	78.918885
"1304753"	424.153272	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Cl+HCOOH"	80.974872
"1321154"	446.135229	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Cl+NaCOOH"	102.956829
"914160"	456.163986	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M-H+CF3COOH"	112.985586
"1289406"	492.140664	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Cl+CF3COOH"	148.962264
"1378149"	308.165724	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H-2H2O"	-35.012676
"1391272"	326.1757	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H-H2O"	-17.0027
"288770"	687.364076	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+H"	1.007276
"685566"	1030.542476	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+H"	1.007276
"1361186"	344.185676	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H"	1.007276
"138085"	344.185676	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+2H"	2.014552
"574365"	515.774876	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+2H"	2.014552
"1044255"	172.596476	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2H"	2.014552
"211062"	229.792876	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+3H"	3.021828
"657912"	344.185676	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+3H"	3.021828
"1167653"	115.400076	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+3H"	3.021828
"433112"	704.390623	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+NH4"	18.033823
"791924"	1047.569023	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+NH4"	18.033823
"1691542"	361.212223	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+NH4"	18.033823
"340915"	352.6989495	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+H+NH4"	19.041099
"734431"	524.2881495	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+H+NH4"	19.041099
"1489343"	181.1097495	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H+NH4"	19.041099
"398180"	709.346018	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+Na"	22.989218
"758082"	1052.524418	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+Na"	22.989218
"1606185"	366.167618	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Na"	22.989218
"319501"	355.176647	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+H+Na"	23.996494
"710830"	526.765847	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+H+Na"	23.996494
"1465743"	183.587447	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H+Na"	23.996494
"1061176"	122.72739	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2H+Na"	25.00377
"1258845"	376.211886	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+CH3OH+H"	33.033486
"383617"	725.319958	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+K"	38.963158
"745704"	1068.498358	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+K"	38.963158
"1546665"	382.141558	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+K"	38.963158
"304937"	363.163617	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+H+K"	39.970434
"700638"	534.752817	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+H+K"	39.970434
"1452271"	191.574417	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H+K"	39.970434
"243062"	728.390626	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+ACN+H"	42.033826
"1216863"	385.212226	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+ACN+H"	42.033826
"1200748"	193.109751	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+ACN+2H"	43.041102
"199083"	731.32796	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+2Na-H"	44.97116
"639741"	1074.50636	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+2Na-H"	44.97116
"1143248"	388.14956	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2Na-H"	44.97116
"183258"	366.167618	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+2Na"	45.978436
"621725"	537.756818	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+2Na"	45.978436
"1121952"	194.578418	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2Na"	45.978436
"1406568"	130.054704	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H+2Na"	46.985712
"1436496"	390.191146	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H+HCOOH"	47.012746
"227287"	371.20064	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+3H2O+2H"	56.04448
"1517179"	404.24319	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+IsoProp+H"	61.06479
"418688"	374.154588	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+Na+K"	61.952376
"776768"	545.743788	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+Na+K"	61.952376
"1672372"	202.565388	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Na+K"	61.952376
"255620"	750.372568	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+ACN+Na"	64.015768
"1233794"	407.194168	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+ACN+Na"	64.015768
"1721586"	407.217693	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+NH4+HCOOH"	64.039293
"1189126"	137.382018	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+3Na"	68.967654
"1657925"	412.173088	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Na+HCOOH"	68.994688
"166974"	763.27584	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+2K-H"	76.91904
"612124"	1106.45424	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+2K-H"	76.91904
"1096512"	420.09744	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2K-H"	76.91904
"153329"	382.141558	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"2M+2K"	77.926316
"596054"	553.730758	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"3M+2K"	77.926316
"1082387"	210.552358	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2K"	77.926316
"1110614"	422.111992	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2K+H"	78.933592
"1343718"	422.199607	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+DMSO+H"	79.021207
"1012247"	426.238776	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2ACN+H"	83.060376
"1529279"	427.232408	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+IsoProp+Na+H"	84.054008
"995728"	213.623026	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+2ACN+2H"	84.067652
"1593511"	428.147028	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+K+HCOOH"	84.968628
"1414918"	458.178538	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+H+CF3COOH"	115.000138
"1154928"	234.136301	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+3ACN+2H"	125.094202
"1708854"	475.205085	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+NH4+CF3COOH"	132.026685
"1640131"	480.16048	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+Na+CF3COOH"	136.98208
"1576877"	496.13442	"C15430"	"3-Hydroxyestra-135(10)-trien-17-one O-(carboxymethyl)oxime;Estrone 17-O-carboxymethyloxime"	"C20H25NO4"	"343.1784"	"M+K+CF3COOH"	152.95602
"813802"	300.2453	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M"	0
"976403"	281.22691	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-H2O-H"	-19.01839
"65736"	199.156257333333	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M-3H"	-3.021828
"503111"	299.238024	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M-3H"	-3.021828
"882006"	99.0744906666666	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-3H"	-3.021828
"11520"	299.238024	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M-2H"	-2.014552
"451809"	449.360674	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M-2H"	-2.014552
"828520"	149.115374	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-2H"	-2.014552
"89966"	599.483324	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M-H"	-1.007276
"531714"	899.728624	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M-H"	-1.007276
"904055"	299.238024	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-H"	-1.007276
"55148"	616.509871	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M-2H+NH4"	16.019271
"493617"	916.755171	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M-2H+NH4"	16.019271
"868137"	316.264571	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-2H+NH4"	16.019271
"40415"	621.465266	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M-2H+Na"	20.974666
"477788"	921.710566	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M-2H+Na"	20.974666
"859965"	321.219966	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-2H+Na"	20.974666
"1624031"	321.219966	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Na-2H"	20.974666
"97278"	317.226363	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M-H+Cl"	33.962126
"540119"	467.349013	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M-H+Cl"	33.962126
"933635"	167.103713	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-H+Cl"	33.962126
"268059"	635.460002	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+Cl"	34.969402
"661695"	935.705302	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+Cl"	34.969402
"1275195"	335.214702	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Cl"	34.969402
"21762"	637.439206	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M-2H+K"	36.948606
"464609"	937.684506	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M-2H+K"	36.948606
"843505"	337.193906	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-2H+K"	36.948606
"1564805"	337.193906	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+K-2H"	36.948606
"947218"	345.243494	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-H+HCOOH"	44.998194
"368351"	645.488801	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+HCOOH-H"	44.998201
"354787"	659.504451	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+Hac-H"	59.013851
"1500338"	359.259151	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Hac-H"	59.013851
"964964"	367.225451	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-H+NaCOOH"	66.980151
"116058"	335.214702	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+2Cl"	69.938804
"554157"	485.337352	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+2Cl"	69.938804
"1024779"	185.092052	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2Cl"	69.938804
"1241802"	379.164185	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Br"	78.918885
"1305711"	381.220172	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Cl+HCOOH"	80.974872
"1320530"	403.202129	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Cl+NaCOOH"	102.956829
"913540"	413.230886	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M-H+CF3COOH"	112.985586
"1292795"	449.207564	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Cl+CF3COOH"	148.962264
"1372792"	265.232624	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H-2H2O"	-35.012676
"1389194"	283.2426	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H-H2O"	-17.0027
"287786"	601.497876	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+H"	1.007276
"683488"	901.743176	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+H"	1.007276
"1358744"	301.252576	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H"	1.007276
"134913"	301.252576	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+2H"	2.014552
"569372"	451.375226	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+2H"	2.014552
"1048739"	151.129926	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2H"	2.014552
"214452"	201.170809333333	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+3H"	3.021828
"651825"	301.252576	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+3H"	3.021828
"1171044"	101.089042666667	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+3H"	3.021828
"433223"	618.524423	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+NH4"	18.033823
"794221"	918.769723	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+NH4"	18.033823
"1691652"	318.279123	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+NH4"	18.033823
"339931"	309.7658495	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+H+NH4"	19.041099
"727978"	459.8884995	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+H+NH4"	19.041099
"1483985"	159.6431995	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H+NH4"	19.041099
"396105"	623.479818	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+Na"	22.989218
"757464"	923.725118	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+Na"	22.989218
"1607389"	323.234518	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Na"	22.989218
"319611"	312.243547	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+H+Na"	23.996494
"712035"	462.366197	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+H+Na"	23.996494
"1464395"	162.120897	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H+Na"	23.996494
"1061286"	108.416356666667	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2H+Na"	25.00377
"1257862"	333.278786	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+CH3OH+H"	33.033486
"381540"	639.453758	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+K"	38.963158
"743627"	939.699058	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+K"	38.963158
"1544588"	339.208458	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+K"	38.963158
"302860"	320.230517	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+H+K"	39.970434
"697468"	470.353167	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+H+K"	39.970434
"1452381"	170.107867	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H+K"	39.970434
"243172"	642.524426	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+ACN+H"	42.033826
"1215879"	342.279126	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+ACN+H"	42.033826
"1200858"	171.643201	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+ACN+2H"	43.041102
"198101"	645.46176	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+2Na-H"	44.97116
"638758"	945.70706	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+2Na-H"	44.97116
"1140079"	345.21646	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2Na-H"	44.97116
"182275"	323.234518	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+2Na"	45.978436
"622565"	473.357168	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+2Na"	45.978436
"1124249"	173.111868	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2Na"	45.978436
"1407770"	115.743670666667	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H+2Na"	46.985712
"1436608"	347.258046	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H+HCOOH"	47.012746
"229585"	328.26754	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+3H2O+2H"	56.04448
"1522029"	361.31009	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+IsoProp+H"	61.06479
"421350"	331.221488	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+Na+K"	61.952376
"778336"	481.344138	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+Na+K"	61.952376
"1673575"	181.098838	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Na+K"	61.952376
"256823"	664.506368	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+ACN+Na"	64.015768
"1233905"	364.261068	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+ACN+Na"	64.015768
"1722789"	364.284593	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+NH4+HCOOH"	64.039293
"1187049"	123.070984666667	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+3Na"	68.967654
"1660222"	369.239988	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Na+HCOOH"	68.994688
"167084"	677.40964	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+2K-H"	76.91904
"611017"	977.65494	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+2K-H"	76.91904
"1097716"	377.16434	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2K-H"	76.91904
"147972"	339.208458	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"2M+2K"	77.926316
"596040"	489.331108	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"3M+2K"	77.926316
"1081888"	189.085808	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2K"	77.926316
"1107443"	379.178892	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2K+H"	78.933592
"1344921"	379.266507	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+DMSO+H"	79.021207
"1015638"	383.305676	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2ACN+H"	83.060376
"1531575"	384.299308	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+IsoProp+Na+H"	84.054008
"998025"	192.156476	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+2ACN+2H"	84.067652
"1593621"	385.213928	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+K+HCOOH"	84.968628
"1414907"	415.245438	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+H+CF3COOH"	115.000138
"1158318"	212.669751	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+3ACN+2H"	125.094202
"1700216"	432.271985	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+NH4+CF3COOH"	132.026685
"1640241"	437.22738	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+Na+CF3COOH"	136.98208
"1576987"	453.20132	"C15431"	"17-Ethynyl-5alpha-androstan-17beta-ol;5alpha17alpha-Pregn-20-yn-17beta-ol"	"C21H32O"	"300.2453"	"M+K+CF3COOH"	152.95602
"809538"	406.2156	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M"	0
"975421"	387.19721	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-H2O-H"	-19.01839
"64755"	269.803124	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M-3H"	-3.021828
"503223"	405.208324	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M-3H"	-3.021828
"882118"	134.397924	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-3H"	-3.021828
"3973"	405.208324	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M-2H"	-2.014552
"451921"	608.316124	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M-2H"	-2.014552
"824622"	202.100524	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-2H"	-2.014552
"91172"	811.423924	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M-H"	-1.007276
"530732"	1217.639524	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M-H"	-1.007276
"905259"	405.208324	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-H"	-1.007276
"51979"	828.450471	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M-2H+NH4"	16.019271
"491540"	1234.666071	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M-2H+NH4"	16.019271
"866060"	422.234871	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-2H+NH4"	16.019271
"37245"	833.405866	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M-2H+Na"	20.974666
"474618"	1239.621466	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M-2H+Na"	20.974666
"860075"	427.190266	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-2H+Na"	20.974666
"1626328"	427.190266	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Na-2H"	20.974666
"96296"	423.196663	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M-H+Cl"	33.962126
"540229"	626.304463	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M-H+Cl"	33.962126
"933745"	220.088863	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-H+Cl"	33.962126
"274488"	847.400602	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+Cl"	34.969402
"662534"	1253.616202	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+Cl"	34.969402
"1275305"	441.185002	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Cl"	34.969402
"21872"	849.379806	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M-2H+K"	36.948606
"464719"	1255.595406	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M-2H+K"	36.948606
"844710"	443.164206	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-2H+K"	36.948606
"1567102"	443.164206	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+K-2H"	36.948606
"950610"	451.213794	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-H+HCOOH"	44.998194
"368827"	857.429401	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+HCOOH-H"	44.998201
"351617"	871.445051	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+Hac-H"	59.013851
"1498261"	465.229451	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Hac-H"	59.013851
"959724"	473.195751	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-H+NaCOOH"	66.980151
"111794"	441.185002	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+2Cl"	69.938804
"553539"	644.292802	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+2Cl"	69.938804
"1024160"	238.077202	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2Cl"	69.938804
"1243010"	485.134485	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Br"	78.918885
"1304441"	487.190472	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Cl+HCOOH"	80.974872
"1321861"	509.172429	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Cl+NaCOOH"	102.956829
"913650"	519.201186	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M-H+CF3COOH"	112.985586
"1291812"	555.177864	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Cl+CF3COOH"	148.962264
"1372902"	371.202924	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H-2H2O"	-35.012676
"1395138"	389.2129	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H-H2O"	-17.0027
"288991"	813.438476	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+H"	1.007276
"684693"	1219.654076	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+H"	1.007276
"1363229"	407.222876	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H"	1.007276
"137211"	407.222876	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+2H"	2.014552
"571305"	610.330676	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+2H"	2.014552
"1048850"	204.115076	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2H"	2.014552
"214562"	271.817676	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+3H"	3.021828
"651935"	407.222876	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+3H"	3.021828
"1171154"	136.412476	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+3H"	3.021828
"433333"	830.465023	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+NH4"	18.033823
"796154"	1236.680623	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+NH4"	18.033823
"1693948"	424.249423	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+NH4"	18.033823
"342227"	415.7361495	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+H+NH4"	19.041099
"729182"	618.8439495	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+H+NH4"	19.041099
"1484095"	212.6283495	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H+NH4"	19.041099
"398400"	835.420418	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+Na"	22.989218
"758304"	1241.636018	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+Na"	22.989218
"1607500"	429.204818	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Na"	22.989218
"320452"	418.213847	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+H+Na"	23.996494
"715426"	621.321647	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+H+Na"	23.996494
"1472526"	215.106047	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H+Na"	23.996494
"1061398"	143.73979	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2H+Na"	25.00377
"1264169"	439.249086	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+CH3OH+H"	33.033486
"389669"	851.394358	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+K"	38.963158
"750664"	1257.609958	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+K"	38.963158
"1543602"	445.178758	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+K"	38.963158
"302969"	426.200817	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+H+K"	39.970434
"694298"	629.308617	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+H+K"	39.970434
"1451398"	223.093017	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H+K"	39.970434
"241096"	854.465026	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+ACN+H"	42.033826
"1214897"	448.249426	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+ACN+H"	42.033826
"1198782"	224.628351	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+ACN+2H"	43.041102
"193840"	857.40236	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+2Na-H"	44.97116
"635588"	1263.61796	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+2Na-H"	44.97116
"1143105"	451.18676	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2Na-H"	44.97116
"179105"	429.204818	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+2Na"	45.978436
"624498"	632.312618	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+2Na"	45.978436
"1123266"	226.097018	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2Na"	45.978436
"1407518"	151.067104	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H+2Na"	46.985712
"1441821"	453.228346	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H+HCOOH"	47.012746
"227508"	434.23784	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+3H2O+2H"	56.04448
"1516664"	467.28039	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+IsoProp+H"	61.06479
"419633"	437.191788	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+Na+K"	61.952376
"778441"	640.299588	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+Na+K"	61.952376
"1676966"	234.083988	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Na+K"	61.952376
"259120"	876.446968	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+ACN+Na"	64.015768
"1240459"	470.231368	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+ACN+Na"	64.015768
"1726909"	470.254893	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+NH4+HCOOH"	64.039293
"1189346"	158.394418	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+3Na"	68.967654
"1661425"	475.210288	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Na+HCOOH"	68.994688
"167194"	889.35024	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+2K-H"	76.91904
"607847"	1295.56584	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+2K-H"	76.91904
"1095639"	483.13464	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2K-H"	76.91904
"151363"	445.178758	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"2M+2K"	77.926316
"594207"	648.286558	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"3M+2K"	77.926316
"1078718"	242.070958	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2K"	77.926316
"1106461"	485.149192	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2K+H"	78.933592
"1349407"	485.236807	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+DMSO+H"	79.021207
"1015748"	489.275976	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2ACN+H"	83.060376
"1529499"	490.269608	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+IsoProp+Na+H"	84.054008
"997042"	245.141626	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+2ACN+2H"	84.067652
"1593731"	491.184228	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+K+HCOOH"	84.968628
"1417204"	521.215738	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+H+CF3COOH"	115.000138
"1158429"	265.654901	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+3ACN+2H"	125.094202
"1700326"	538.242285	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+NH4+CF3COOH"	132.026685
"1637070"	543.19768	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+Na+CF3COOH"	136.98208
"1577097"	559.17162	"C15432"	"Flurogestone acetate;9alpha-Fluoro-11-hydroxy17alpha-acetoxyprogesterone;9-Fluoro-11beta17-dihydroxypregn-4-ene-320-dione 17-acetate"	"C23H31FO5"	"406.2156"	"M+K+CF3COOH"	152.95602
"807461"	291.0532	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M"	0
"974802"	272.03481	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-H2O-H"	-19.01839
"64500"	193.028190666667	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M-3H"	-3.021828
"503284"	290.045924	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M-3H"	-3.021828
"880128"	96.0104573333333	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-3H"	-3.021828
"1899"	290.045924	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M-2H"	-2.014552
"442552"	435.572524	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M-2H"	-2.014552
"818167"	144.519324	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-2H"	-2.014552
"84724"	581.099124	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M-H"	-1.007276
"525376"	872.152324	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M-H"	-1.007276
"902089"	290.045924	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-H"	-1.007276
"50996"	598.125671	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M-2H+NH4"	16.019271
"491650"	889.178871	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M-2H+NH4"	16.019271
"865440"	307.072471	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-2H+NH4"	16.019271
"37355"	603.081066	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M-2H+Na"	20.974666
"474728"	894.134266	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M-2H+Na"	20.974666
"859092"	312.027866	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-2H+Na"	20.974666
"1629354"	312.027866	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Na-2H"	20.974666
"96406"	308.034263	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M-H+Cl"	33.962126
"537059"	453.560863	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M-H+Cl"	33.962126
"930575"	162.507663	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-H+Cl"	33.962126
"267468"	617.075802	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+Cl"	34.969402
"660942"	908.129002	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+Cl"	34.969402
"1273055"	326.022602	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Cl"	34.969402
"15853"	619.055006	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M-2H+K"	36.948606
"464829"	910.108206	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M-2H+K"	36.948606
"846278"	328.001806	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-2H+K"	36.948606
"1566119"	328.001806	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+K-2H"	36.948606
"949627"	336.051394	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-H+HCOOH"	44.998194
"368937"	627.104601	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+HCOOH-H"	44.998201
"353914"	641.120251	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+Hac-H"	59.013851
"1495091"	350.067051	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Hac-H"	59.013851
"959837"	358.033351	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-H+NaCOOH"	66.980151
"114092"	326.022602	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+2Cl"	69.938804
"550364"	471.549202	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+2Cl"	69.938804
"1021841"	180.496002	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2Cl"	69.938804
"1244579"	369.972085	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Br"	78.918885
"1304185"	372.028072	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Cl+HCOOH"	80.974872
"1320189"	394.010029	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Cl+NaCOOH"	102.956829
"913396"	404.038786	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M-H+CF3COOH"	112.985586
"1291559"	440.015464	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Cl+CF3COOH"	148.962264
"1373012"	256.040524	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H-2H2O"	-35.012676
"1396341"	274.0505	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H-H2O"	-17.0027
"292017"	583.113676	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+H"	1.007276
"688083"	874.166876	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+H"	1.007276
"1363339"	292.060476	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H"	1.007276
"137321"	292.060476	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+2H"	2.014552
"571416"	437.587076	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+2H"	2.014552
"1049689"	146.533876	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2H"	2.014552
"214672"	195.042742666667	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+3H"	3.021828
"657150"	292.060476	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+3H"	3.021828
"1174545"	98.0250093333333	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+3H"	3.021828
"433444"	600.140223	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+NH4"	18.033823
"792255"	891.193423	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+NH4"	18.033823
"1688590"	309.087023	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+NH4"	18.033823
"342337"	300.5737495	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+H+NH4"	19.041099
"730385"	446.1003495	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+H+NH4"	19.041099
"1484205"	155.0471495	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H+NH4"	19.041099
"398510"	605.095618	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+Na"	22.989218
"757321"	896.148818	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+Na"	22.989218
"1608702"	314.042418	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Na"	22.989218
"319832"	303.051447	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+H+Na"	23.996494
"713349"	448.578047	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+H+Na"	23.996494
"1467168"	157.524847	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H+Na"	23.996494
"1056768"	105.352323333333	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2H+Na"	25.00377
"1259175"	324.086686	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+CH3OH+H"	33.033486
"385040"	621.069558	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+K"	38.963158
"751138"	912.122758	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+K"	38.963158
"1543712"	330.016358	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+K"	38.963158
"301620"	311.038417	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+H+K"	39.970434
"694772"	456.565017	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+H+K"	39.970434
"1448590"	165.511817	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H+K"	39.970434
"241207"	624.140226	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+ACN+H"	42.033826
"1213911"	333.087026	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+ACN+H"	42.033826
"1196706"	167.047151	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+ACN+2H"	43.041102
"191763"	627.07756	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+2Na-H"	44.97116
"631324"	918.13076	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+2Na-H"	44.97116
"1137018"	336.02436	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2Na-H"	44.97116
"178119"	314.042418	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+2Na"	45.978436
"618774"	459.569018	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+2Na"	45.978436
"1121188"	168.515818	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2Na"	45.978436
"1400458"	112.679637333333	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H+2Na"	46.985712
"1436828"	338.065946	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H+HCOOH"	47.012746
"228347"	319.07544	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+3H2O+2H"	56.04448
"1515681"	352.11799	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+IsoProp+H"	61.06479
"416461"	322.029388	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+Na+K"	61.952376
"777458"	467.555988	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+Na+K"	61.952376
"1678169"	176.502788	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Na+K"	61.952376
"260320"	646.122168	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+ACN+Na"	64.015768
"1234122"	355.068968	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+ACN+Na"	64.015768
"1723008"	355.092493	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+NH4+HCOOH"	64.039293
"1188362"	120.006951333333	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+3Na"	68.967654
"1661535"	360.047888	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Na+HCOOH"	68.994688
"165116"	659.02544	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+2K-H"	76.91904
"611846"	950.07864	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+2K-H"	76.91904
"1095749"	367.97224	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2K-H"	76.91904
"153660"	330.016358	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"2M+2K"	77.926316
"593221"	475.542958	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"3M+2K"	77.926316
"1075547"	184.489758	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2K"	77.926316
"1106571"	369.986792	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2K+H"	78.933592
"1346236"	370.074407	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+DMSO+H"	79.021207
"1013671"	374.113576	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2ACN+H"	83.060376
"1530702"	375.107208	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+IsoProp+Na+H"	84.054008
"993870"	187.560426	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+2ACN+2H"	84.067652
"1589467"	376.021828	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+K+HCOOH"	84.968628
"1418408"	406.053338	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+H+CF3COOH"	115.000138
"1156350"	208.073701	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+3ACN+2H"	125.094202
"1697270"	423.079885	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+NH4+CF3COOH"	132.026685
"1634505"	428.03528	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+Na+CF3COOH"	136.98208
"1577207"	444.00922	"C15433"	"1-(6-Oxo-6H-dibenzobdpyran-3-yl)-1H-pyrrole-25-dione"	"C17H9NO4"	"291.0532"	"M+K+CF3COOH"	152.95602
"807571"	318.2195	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M"	0
"976734"	299.20111	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"64975"	211.139057333333	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"503804"	317.212224	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"880391"	105.065890666667	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"3102"	317.212224	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"441081"	476.321974	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"823745"	158.102474	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"83739"	635.431724	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"524392"	953.651224	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"900005"	317.212224	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"47575"	652.458271	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"491760"	970.677771	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"865550"	334.238771	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"38558"	657.413666	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"477024"	975.633166	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"858108"	339.194166	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1630558"	339.194166	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"96516"	335.200563	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"537169"	494.310313	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"933965"	176.090813	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"268389"	671.408402	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"661295"	989.627902	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1273820"	353.188902	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"17590"	673.387606	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"464939"	991.607106	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"847118"	355.168106	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1565136"	355.168106	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"949737"	363.217694	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"369047"	681.437201	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"354025"	695.452851	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1498481"	377.233351	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"962742"	385.199651	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"114930"	353.188902	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"550474"	512.298652	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1022558"	194.079152	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1244324"	397.138385	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1304341"	399.194372	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1322442"	421.176329	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"912530"	431.205086	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1291667"	467.181764	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1381506"	283.206824	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1393900"	301.2168	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"289211"	637.446276	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"687099"	955.665776	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1364542"	319.226776	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"137795"	319.226776	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"571526"	478.336526	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1044695"	160.117026	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"210409"	213.153609333333	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"654343"	319.226776	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1172469"	107.080442666667	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"434647"	654.472823	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"792365"	972.692323	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1688700"	336.253323	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"342448"	327.7400495	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"733775"	486.8497995	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1488689"	168.6302995	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"401899"	659.428218	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"761802"	977.647718	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1610993"	341.208718	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"318481"	330.217747	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"714553"	489.327497	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1468371"	171.107997	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1056878"	114.407756666667	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1262202"	351.252986	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"385150"	675.402158	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"750155"	993.621658	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1543822"	357.182658	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"300635"	338.204717	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"692811"	497.314467	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1447241"	179.094967	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"241317"	678.472826	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1212929"	360.253326	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1199003"	180.630301	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"194059"	681.41016	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"635807"	999.62966	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1138219"	363.19066	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"178230"	341.208718	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"619977"	500.318468	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1122392"	182.098968	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1402635"	121.735070666667	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1434751"	365.232246	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"224447"	346.24174	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1510324"	379.28429	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"413292"	349.195688	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"776475"	508.305438	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1679373"	190.085938	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"261523"	700.454768	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1238606"	382.235268	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1722024"	382.258793	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1189566"	129.062384666667	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1663105"	387.214188	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"165226"	713.35804	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"611348"	1031.57754	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1098045"	395.13854	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"151582"	357.182658	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"594423"	516.292408	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1078936"	198.072908	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1108867"	397.153092	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1346346"	397.240707	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1014874"	401.279876	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1528625"	402.273508	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"993980"	201.143576	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1589576"	403.188128	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1421798"	433.219638	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1154273"	221.656851	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1697174"	450.246185	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1634575"	455.20158	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1577317"	471.17552	"C15434"	"11beta17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one;11beta-Hydroxy-12alpha-methyltestosterone"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"807681"	1054.4097	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M"	0
"974779"	1035.39131	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-H2O-H"	-19.01839
"67273"	701.932524	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M-3H"	-3.021828
"507926"	1053.402424	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M-3H"	-3.021828
"880626"	350.462624	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-3H"	-3.021828
"7587"	1053.402424	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M-2H"	-2.014552
"443865"	1580.607274	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M-2H"	-2.014552
"819483"	526.197574	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-2H"	-2.014552
"81662"	2107.812124	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M-H"	-1.007276
"527783"	3162.221824	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M-H"	-1.007276
"902301"	1053.402424	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-H"	-1.007276
"49382"	2124.838671	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M-2H+NH4"	16.019271
"489306"	3179.248371	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M-2H+NH4"	16.019271
"865660"	1070.428971	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-2H+NH4"	16.019271
"37575"	2129.794066	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M-2H+Na"	20.974666
"478228"	3184.203766	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M-2H+Na"	20.974666
"858218"	1075.384366	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-2H+Na"	20.974666
"1629938"	1075.384366	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Na-2H"	20.974666
"96626"	1071.390763	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M-H+Cl"	33.962126
"537279"	1598.595613	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M-H+Cl"	33.962126
"934075"	544.185913	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-H+Cl"	33.962126
"269351"	2143.788802	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+Cl"	34.969402
"665052"	3198.198502	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+Cl"	34.969402
"1273445"	1089.379102	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Cl"	34.969402
"16159"	2145.768006	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M-2H+K"	36.948606
"465049"	3200.177706	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M-2H+K"	36.948606
"843946"	1091.358306	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-2H+K"	36.948606
"1565246"	1091.358306	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+K-2H"	36.948606
"948753"	1099.407894	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-H+HCOOH"	44.998194
"368064"	2153.817601	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+HCOOH-H"	44.998201
"349031"	2167.833251	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+Hac-H"	59.013851
"1496039"	1113.423551	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Hac-H"	59.013851
"961029"	1121.389851	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-H+NaCOOH"	66.980151
"114676"	1089.379102	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+2Cl"	69.938804
"552411"	1616.583952	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+2Cl"	69.938804
"1022544"	562.174252	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2Cl"	69.938804
"1242487"	1133.328585	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Br"	78.918885
"1304814"	1135.384572	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Cl+HCOOH"	80.974872
"1321824"	1157.366529	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Cl+NaCOOH"	102.956829
"912883"	1167.395286	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M-H+CF3COOH"	112.985586
"1293235"	1203.371964	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Cl+CF3COOH"	148.962264
"1380887"	1019.397024	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H-2H2O"	-35.012676
"1397290"	1037.407	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H-H2O"	-17.0027
"294789"	2109.826676	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+H"	1.007276
"686116"	3164.236376	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+H"	1.007276
"1363559"	1055.416976	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H"	1.007276
"138270"	1055.416976	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+2H"	2.014552
"571636"	1582.621826	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+2H"	2.014552
"1047723"	528.212126	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2H"	2.014552
"210519"	703.947076	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+3H"	3.021828
"652268"	1055.416976	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+3H"	3.021828
"1174767"	352.477176	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+3H"	3.021828
"433665"	2126.853223	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+NH4"	18.033823
"795755"	3181.262923	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+NH4"	18.033823
"1688810"	1072.443523	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+NH4"	18.033823
"344744"	1063.9302495	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+H+NH4"	19.041099
"732789"	1591.1350995	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+H+NH4"	19.041099
"1490986"	536.7253995	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H+NH4"	19.041099
"403102"	2131.808618	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+Na"	22.989218
"765190"	3186.218318	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+Na"	22.989218
"1610010"	1077.398918	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Na"	22.989218
"320049"	1066.407947	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+H+Na"	23.996494
"717943"	1593.612797	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+H+Na"	23.996494
"1471763"	539.203097	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H+Na"	23.996494
"1061727"	359.80449	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2H+Na"	25.00377
"1263405"	1087.443186	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+CH3OH+H"	33.033486
"387447"	2147.782558	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+K"	38.963158
"750629"	3202.192258	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+K"	38.963158
"1543932"	1093.372858	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+K"	38.963158
"300381"	1074.394917	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+H+K"	39.970434
"693167"	1601.599767	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+H+K"	39.970434
"1449540"	547.190067	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H+K"	39.970434
"242520"	2150.853226	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+ACN+H"	42.033826
"1215226"	1096.443526	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+ACN+H"	42.033826
"1199477"	548.725401	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+ACN+2H"	43.041102
"194169"	2153.79056	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+2Na-H"	44.97116
"638104"	3208.20026	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+2Na-H"	44.97116
"1141610"	1099.38086	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2Na-H"	44.97116
"180527"	1077.398918	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+2Na"	45.978436
"622275"	1604.603768	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+2Na"	45.978436
"1121409"	550.194068	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2Na"	45.978436
"1400556"	367.131804	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H+2Na"	46.985712
"1430972"	1101.422446	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H+HCOOH"	47.012746
"221277"	1082.43194	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+3H2O+2H"	56.04448
"1510434"	1115.47449	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+IsoProp+H"	61.06479
"410122"	1085.385888	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+Na+K"	61.952376
"776585"	1612.590738	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+Na+K"	61.952376
"1678754"	558.181038	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Na+K"	61.952376
"262727"	2172.835168	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+ACN+Na"	64.015768
"1237623"	1118.425468	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+ACN+Na"	64.015768
"1721040"	1118.448993	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+NH4+HCOOH"	64.039293
"1186395"	374.459118	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+3Na"	68.967654
"1658475"	1123.404388	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Na+HCOOH"	68.994688
"166431"	2185.73844	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+2K-H"	76.91904
"611092"	3240.14814	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+2K-H"	76.91904
"1098155"	1131.32874	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2K-H"	76.91904
"151692"	1093.372858	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"2M+2K"	77.926316
"595628"	1620.577708	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"3M+2K"	77.926316
"1080869"	566.168008	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2K"	77.926316
"1113716"	1133.343292	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2K+H"	78.933592
"1348278"	1133.430907	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+DMSO+H"	79.021207
"1016078"	1137.470076	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2ACN+H"	83.060376
"1530922"	1138.463708	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+IsoProp+Na+H"	84.054008
"992996"	569.238676	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+2ACN+2H"	84.067652
"1587863"	1139.378328	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+K+HCOOH"	84.968628
"1418628"	1169.409838	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+H+CF3COOH"	115.000138
"1148915"	589.751951	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+3ACN+2H"	125.094202
"1697084"	1186.436385	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+NH4+CF3COOH"	132.026685
"1634402"	1191.39178	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+Na+CF3COOH"	136.98208
"1577427"	1207.36572	"C15435"	"Fenbutatin oxide;Bistris(2-methyl-2-phenylpropyl)tinoxide"	"C60H78OSn2"	"1054.4097"	"M+K+CF3COOH"	152.95602
"807791"	361.3475	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M"	0
"975861"	342.32911	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-H2O-H"	-19.01839
"73942"	239.891057333333	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M-3H"	-3.021828
"505849"	360.340224	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M-3H"	-3.021828
"884744"	119.441890666667	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-3H"	-3.021828
"6604"	360.340224	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M-2H"	-2.014552
"447254"	541.013974	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M-2H"	-2.014552
"823965"	179.666474	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-2H"	-2.014552
"85052"	721.687724	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M-H"	-1.007276
"528986"	1083.035224	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M-H"	-1.007276
"905690"	360.340224	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-H"	-1.007276
"49374"	738.714271	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M-2H+NH4"	16.019271
"490149"	1100.061771	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M-2H+NH4"	16.019271
"865161"	377.366771	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-2H+NH4"	16.019271
"35498"	743.669666	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M-2H+Na"	20.974666
"475058"	1105.017166	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M-2H+Na"	20.974666
"858328"	382.322166	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-2H+Na"	20.974666
"1628955"	382.322166	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Na-2H"	20.974666
"96736"	378.328563	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M-H+Cl"	33.962126
"537389"	559.002313	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M-H+Cl"	33.962126
"934185"	197.654813	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-H+Cl"	33.962126
"269461"	757.664402	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+Cl"	34.969402
"671722"	1119.011902	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+Cl"	34.969402
"1274651"	396.316902	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Cl"	34.969402
"16959"	759.643606	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M-2H+K"	36.948606
"457500"	1120.991106	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M-2H+K"	36.948606
"836032"	398.296106	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-2H+K"	36.948606
"1565356"	398.296106	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+K-2H"	36.948606
"946309"	406.345694	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-H+HCOOH"	44.998194
"365987"	767.693201	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+HCOOH-H"	44.998201
"350963"	781.708851	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+Hac-H"	59.013851
"1495783"	420.361351	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Hac-H"	59.013851
"961139"	428.327651	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-H+NaCOOH"	66.980151
"112233"	396.316902	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+2Cl"	69.938804
"552884"	576.990652	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+2Cl"	69.938804
"1023018"	215.643152	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2Cl"	69.938804
"1243325"	440.266385	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Br"	78.918885
"1306017"	442.322372	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Cl+HCOOH"	80.974872
"1323758"	464.304329	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Cl+NaCOOH"	102.956829
"916638"	474.333086	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M-H+CF3COOH"	112.985586
"1293347"	510.309764	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Cl+CF3COOH"	148.962264
"1377716"	326.334824	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H-2H2O"	-35.012676
"1397036"	344.3448	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H-H2O"	-17.0027
"295993"	723.702276	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+H"	1.007276
"687320"	1085.049776	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+H"	1.007276
"1363304"	362.354776	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H"	1.007276
"138381"	362.354776	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+2H"	2.014552
"575026"	543.028526	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+2H"	2.014552
"1051116"	181.681026	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2H"	2.014552
"216098"	241.905609333333	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+3H"	3.021828
"654564"	362.354776	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+3H"	3.021828
"1172692"	121.456442666667	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+3H"	3.021828
"437056"	740.728823	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+NH4"	18.033823
"798053"	1102.076323	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+NH4"	18.033823
"1687827"	379.381323	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+NH4"	18.033823
"344854"	370.8680495	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+H+NH4"	19.041099
"732900"	551.5417995	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+H+NH4"	19.041099
"1491096"	190.1942995	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H+NH4"	19.041099
"404308"	745.684218	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+Na"	22.989218
"763116"	1107.031718	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+Na"	22.989218
"1611214"	384.336718	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Na"	22.989218
"320159"	373.345747	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+H+Na"	23.996494
"712942"	554.019497	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+H+Na"	23.996494
"1469681"	192.671997	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H+Na"	23.996494
"1060745"	128.783756666667	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2H+Na"	25.00377
"1261329"	394.380986	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+CH3OH+H"	33.033486
"384277"	761.658158	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+K"	38.963158
"748552"	1123.005658	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+K"	38.963158
"1545136"	400.310658	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+K"	38.963158
"300127"	381.332717	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+H+K"	39.970434
"695830"	562.006467	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+H+K"	39.970434
"1456210"	200.658967	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H+K"	39.970434
"244816"	764.728826	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+ACN+H"	42.033826
"1219709"	403.381326	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+ACN+H"	42.033826
"1201411"	202.194301	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+ACN+2H"	43.041102
"196467"	767.66616	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+2Na-H"	44.97116
"638215"	1129.01366	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+2Na-H"	44.97116
"1142815"	406.31866	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2Na-H"	44.97116
"185741"	384.336718	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+2Na"	45.978436
"627123"	565.010468	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+2Na"	45.978436
"1126983"	203.662968	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2Na"	45.978436
"1405040"	136.111070666667	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H+2Na"	46.985712
"1436064"	408.360246	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H+HCOOH"	47.012746
"224664"	389.36974	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+3H2O+2H"	56.04448
"1512730"	422.41229	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+IsoProp+H"	61.06479
"412418"	392.323688	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+Na+K"	61.952376
"776695"	572.997438	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+Na+K"	61.952376
"1676313"	211.649938	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Na+K"	61.952376
"265024"	786.710768	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+ACN+Na"	64.015768
"1237733"	425.363268	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+ACN+Na"	64.015768
"1723337"	425.386793	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+NH4+HCOOH"	64.039293
"1187599"	143.438384666667	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+3Na"	68.967654
"1661865"	430.342188	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Na+HCOOH"	68.994688
"165448"	799.61404	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+2K-H"	76.91904
"611566"	1160.96154	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+2K-H"	76.91904
"1097171"	438.26654	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2K-H"	76.91904
"145242"	400.310658	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"2M+2K"	77.926316
"592458"	580.984408	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"3M+2K"	77.926316
"1079156"	219.636908	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2K"	77.926316
"1111275"	440.281092	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2K+H"	78.933592
"1345472"	440.368707	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+DMSO+H"	79.021207
"1016187"	444.407876	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2ACN+H"	83.060376
"1532125"	445.401508	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+IsoProp+Na+H"	84.054008
"994199"	222.707576	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+2ACN+2H"	84.067652
"1589795"	446.316128	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+K+HCOOH"	84.968628
"1419832"	476.347638	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+H+CF3COOH"	115.000138
"1150118"	243.220851	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+3ACN+2H"	125.094202
"1697598"	493.374185	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+NH4+CF3COOH"	132.026685
"1634203"	498.32958	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+Na+CF3COOH"	136.98208
"1577537"	514.30352	"C15436"	"Didecyldimethylammonium chloride;N-Decyl-NN-dimethyl-1-decanaminium chloride"	"C22H48NCl"	"361.3475"	"M+K+CF3COOH"	152.95602
"815562"	312.1878	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M"	0
"985813"	293.16941	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-H2O-H"	-19.01839
"67495"	207.117924	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M-3H"	-3.021828
"507058"	311.180524	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M-3H"	-3.021828
"889233"	103.055324	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-3H"	-3.021828
"9996"	311.180524	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M-2H"	-2.014552
"445181"	467.274424	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M-2H"	-2.014552
"825171"	155.086624	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-2H"	-2.014552
"82976"	623.368324	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M-H"	-1.007276
"524723"	935.556124	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M-H"	-1.007276
"899246"	311.180524	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-H"	-1.007276
"49244"	640.394871	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M-2H+NH4"	16.019271
"488321"	952.582671	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M-2H+NH4"	16.019271
"868800"	328.207071	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-2H+NH4"	16.019271
"37795"	645.350266	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M-2H+Na"	20.974666
"480636"	957.538066	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M-2H+Na"	20.974666
"862087"	333.162466	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-2H+Na"	20.974666
"1629066"	333.162466	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Na-2H"	20.974666
"102315"	329.168863	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M-H+Cl"	33.962126
"541875"	485.262763	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M-H+Cl"	33.962126
"934296"	173.074963	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-H+Cl"	33.962126
"276864"	659.345002	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+Cl"	34.969402
"667461"	971.532802	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+Cl"	34.969402
"1276949"	347.157202	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Cl"	34.969402
"18776"	661.324206	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M-2H+K"	36.948606
"464174"	973.512006	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M-2H+K"	36.948606
"843072"	349.136406	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-2H+K"	36.948606
"1563280"	349.136406	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+K-2H"	36.948606
"948977"	357.185994	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-H+HCOOH"	44.998194
"369378"	669.373801	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+HCOOH-H"	44.998201
"353260"	683.389451	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+Hac-H"	59.013851
"1501000"	371.201651	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Hac-H"	59.013851
"960522"	379.167951	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-H+NaCOOH"	66.980151
"114532"	347.157202	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+2Cl"	69.938804
"552631"	503.251102	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+2Cl"	69.938804
"1026170"	191.063302	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2Cl"	69.938804
"1245382"	391.106685	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Br"	78.918885
"1305279"	393.162672	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Cl+HCOOH"	80.974872
"1324232"	415.144629	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Cl+NaCOOH"	102.956829
"914564"	425.173386	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M-H+CF3COOH"	112.985586
"1293094"	461.150064	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Cl+CF3COOH"	148.962264
"1377826"	277.175124	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H-2H2O"	-35.012676
"1395324"	295.1851	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H-H2O"	-17.0027
"292822"	625.382876	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+H"	1.007276
"686336"	937.570676	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+H"	1.007276
"1365239"	313.195076	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H"	1.007276
"138492"	313.195076	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+2H"	2.014552
"577322"	469.288976	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+2H"	2.014552
"1048307"	157.101176	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2H"	2.014552
"216575"	209.132476	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+3H"	3.021828
"656864"	313.195076	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+3H"	3.021828
"1174991"	105.069876	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+3H"	3.021828
"433886"	642.409423	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+NH4"	18.033823
"793791"	954.597223	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+NH4"	18.033823
"1690120"	330.221623	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+NH4"	18.033823
"343871"	321.7083495	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+H+NH4"	19.041099
"734104"	477.8022495	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+H+NH4"	19.041099
"1490114"	165.6144495	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H+NH4"	19.041099
"405512"	647.364818	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+Na"	22.989218
"769425"	959.552618	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+Na"	22.989218
"1616671"	335.177018	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Na"	22.989218
"325736"	324.186047	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+H+Na"	23.996494
"719253"	480.279947	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+H+Na"	23.996494
"1470887"	168.092147	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H+Na"	23.996494
"1060852"	112.39719	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2H+Na"	25.00377
"1265810"	345.221286	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+CH3OH+H"	33.033486
"387666"	663.338758	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+K"	38.963158
"748662"	975.526558	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+K"	38.963158
"1553631"	351.150958	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+K"	38.963158
"311170"	332.173017	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+H+K"	39.970434
"699220"	488.266917	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+H+K"	39.970434
"1460694"	176.079117	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H+K"	39.970434
"246020"	666.409426	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+ACN+H"	42.033826
"1224559"	354.221626	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+ACN+H"	42.033826
"1205531"	177.614451	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+ACN+2H"	43.041102
"198764"	669.34676	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+2Na-H"	44.97116
"639419"	981.53456	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+2Na-H"	44.97116
"1143654"	357.15896	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2Na-H"	44.97116
"182934"	335.177018	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+2Na"	45.978436
"619214"	491.270918	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+2Na"	45.978436
"1121627"	179.083118	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2Na"	45.978436
"1406243"	119.724504	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H+2Na"	46.985712
"1436171"	359.200546	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H+HCOOH"	47.012746
"221254"	340.21004	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+3H2O+2H"	56.04448
"1512842"	373.25259	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+IsoProp+H"	61.06479
"423471"	343.163988	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+Na+K"	61.952376
"781910"	499.257888	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+Na+K"	61.952376
"1670957"	187.070088	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Na+K"	61.952376
"264041"	688.391368	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+ACN+Na"	64.015768
"1234561"	376.203568	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+ACN+Na"	64.015768
"1722355"	376.227093	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+NH4+HCOOH"	64.039293
"1186615"	127.051818	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+3Na"	68.967654
"1659788"	381.182488	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Na+HCOOH"	68.994688
"167745"	701.29464	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+2K-H"	76.91904
"606211"	1013.48244	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+2K-H"	76.91904
"1092911"	389.10684	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2K-H"	76.91904
"150821"	351.150958	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"2M+2K"	77.926316
"590382"	507.244858	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"3M+2K"	77.926316
"1074896"	195.057058	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2K"	77.926316
"1107012"	391.121392	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2K+H"	78.933592
"1337199"	391.209007	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+DMSO+H"	79.021207
"1011928"	395.248176	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2ACN+H"	83.060376
"1533331"	396.241808	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+IsoProp+Na+H"	84.054008
"997591"	198.127726	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+2ACN+2H"	84.067652
"1596470"	397.156428	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+K+HCOOH"	84.968628
"1423223"	427.187938	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+H+CF3COOH"	115.000138
"1154604"	218.641001	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+3ACN+2H"	125.094202
"1697712"	444.214485	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+NH4+CF3COOH"	132.026685
"1634265"	449.16988	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+Na+CF3COOH"	136.98208
"1577647"	465.14382	"C15437"	"135-Triphenylcyclohexane"	"C24H24"	"312.1878"	"M+K+CF3COOH"	152.95602
"808011"	366.2042	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M"	0
"981549"	347.18581	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-H2O-H"	-19.01839
"74163"	243.128857333333	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M-3H"	-3.021828
"513725"	365.196924	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M-3H"	-3.021828
"888247"	121.060790666667	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-3H"	-3.021828
"14478"	365.196924	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M-2H"	-2.014552
"451852"	548.299024	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M-2H"	-2.014552
"828561"	182.094824	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-2H"	-2.014552
"88556"	731.401124	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M-H"	-1.007276
"523740"	1097.605324	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M-H"	-1.007276
"904823"	365.196924	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-H"	-1.007276
"48628"	748.427671	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M-2H+NH4"	16.019271
"492198"	1114.631871	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M-2H+NH4"	16.019271
"871096"	382.223471	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-2H+NH4"	16.019271
"37904"	753.383066	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M-2H+Na"	20.974666
"473090"	1119.587266	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M-2H+Na"	20.974666
"862926"	387.178866	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-2H+Na"	20.974666
"1626989"	387.178866	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Na-2H"	20.974666
"102425"	383.185263	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M-H+Cl"	33.962126
"541985"	566.287363	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M-H+Cl"	33.962126
"935499"	200.083163	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-H+Cl"	33.962126
"276244"	767.377802	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+Cl"	34.969402
"665749"	1133.582002	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+Cl"	34.969402
"1277059"	401.173602	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Cl"	34.969402
"19616"	769.357006	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M-2H+K"	36.948606
"465377"	1135.561206	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M-2H+K"	36.948606
"842088"	403.152806	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-2H+K"	36.948606
"1565577"	403.152806	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+K-2H"	36.948606
"955647"	411.202394	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-H+HCOOH"	44.998194
"373862"	777.406601	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+HCOOH-H"	44.998201
"354464"	791.422251	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+Hac-H"	59.013851
"1502203"	425.218051	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Hac-H"	59.013851
"965370"	433.184351	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-H+NaCOOH"	66.980151
"114278"	401.173602	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+2Cl"	69.938804
"553468"	584.275702	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+2Cl"	69.938804
"1026644"	218.071502	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2Cl"	69.938804
"1244033"	445.123085	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Br"	78.918885
"1307942"	447.179072	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Cl+HCOOH"	80.974872
"1322520"	469.161029	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Cl+NaCOOH"	102.956829
"915404"	479.189786	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M-H+CF3COOH"	112.985586
"1292111"	515.166464	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Cl+CF3COOH"	148.962264
"1372468"	331.191524	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H-2H2O"	-35.012676
"1391057"	349.2015	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H-H2O"	-17.0027
"294026"	733.415676	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+H"	1.007276
"687542"	1099.619876	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+H"	1.007276
"1363890"	367.211476	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H"	1.007276
"139332"	367.211476	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+2H"	2.014552
"578892"	550.313576	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+2H"	2.014552
"1051944"	184.109376	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2H"	2.014552
"218873"	245.143409333333	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+3H"	3.021828
"655882"	367.211476	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+3H"	3.021828
"1172916"	123.075342666667	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+3H"	3.021828
"433998"	750.442223	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+NH4"	18.033823
"794995"	1116.646423	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+NH4"	18.033823
"1691323"	384.238023	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+NH4"	18.033823
"345595"	375.7247495	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+H+NH4"	19.041099
"736403"	558.8268495	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+H+NH4"	19.041099
"1492637"	192.6226495	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H+NH4"	19.041099
"408390"	755.397618	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+Na"	22.989218
"769753"	1121.601818	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+Na"	22.989218
"1618430"	389.193418	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Na"	22.989218
"326940"	378.202447	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+H+Na"	23.996494
"721186"	561.304547	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+H+Na"	23.996494
"1472090"	195.100347	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H+Na"	23.996494
"1065335"	130.402656666667	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2H+Na"	25.00377
"1268107"	399.237686	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+CH3OH+H"	33.033486
"387776"	771.371558	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+K"	38.963158
"752053"	1137.575758	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+K"	38.963158
"1554105"	405.167358	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+K"	38.963158
"312983"	386.189417	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+H+K"	39.970434
"705527"	569.291517	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+H+K"	39.970434
"1459711"	203.087317	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H+K"	39.970434
"249411"	774.442226	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+ACN+H"	42.033826
"1222848"	408.238026	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+ACN+H"	42.033826
"1209613"	204.622651	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+ACN+2H"	43.041102
"203250"	777.37956	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+2Na-H"	44.97116
"641717"	1143.58376	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+2Na-H"	44.97116
"1146317"	411.17536	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2Na-H"	44.97116
"186689"	389.193418	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+2Na"	45.978436
"626981"	572.295518	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+2Na"	45.978436
"1126110"	206.091318	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2Na"	45.978436
"1408541"	137.729970666667	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H+2Na"	46.985712
"1437376"	413.216946	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H+HCOOH"	47.012746
"227074"	394.22644	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+3H2O+2H"	56.04448
"1520605"	427.26899	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+IsoProp+H"	61.06479
"424136"	397.180388	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+Na+K"	61.952376
"784574"	580.282488	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+Na+K"	61.952376
"1673254"	214.078288	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Na+K"	61.952376
"261966"	796.424168	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+ACN+Na"	64.015768
"1236859"	430.219968	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+ACN+Na"	64.015768
"1725746"	430.243493	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+NH4+HCOOH"	64.039293
"1187819"	145.057284666667	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+3Na"	68.967654
"1662086"	435.198888	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Na+HCOOH"	68.994688
"163480"	809.32744	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+2K-H"	76.91904
"611061"	1175.53164	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+2K-H"	76.91904
"1094115"	443.12324	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2K-H"	76.91904
"149838"	405.167358	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"2M+2K"	77.926316
"591588"	588.269458	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"3M+2K"	77.926316
"1077193"	222.065258	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2K"	77.926316
"1108216"	445.137792	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2K+H"	78.933592
"1341321"	445.225407	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+DMSO+H"	79.021207
"1015318"	449.264576	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2ACN+H"	83.060376
"1536722"	450.258208	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+IsoProp+Na+H"	84.054008
"1003169"	225.135926	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+2ACN+2H"	84.067652
"1597673"	451.172828	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+K+HCOOH"	84.968628
"1420053"	481.204338	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+H+CF3COOH"	115.000138
"1154714"	245.649201	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+3ACN+2H"	125.094202
"1697580"	498.230885	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+NH4+CF3COOH"	132.026685
"1634449"	503.18628	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+Na+CF3COOH"	136.98208
"1577757"	519.16022	"C15438"	"Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate"	"C20H30O6"	"366.2042"	"M+K+CF3COOH"	152.95602
"808121"	286.0606	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M"	0
"984939"	267.04221	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-H2O-H"	-19.01839
"74273"	189.699790666667	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M-3H"	-3.021828
"509461"	285.053324	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M-3H"	-3.021828
"888357"	94.3462573333333	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-3H"	-3.021828
"11307"	285.053324	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M-2H"	-2.014552
"446494"	428.083624	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M-2H"	-2.014552
"825392"	142.023024	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-2H"	-2.014552
"86477"	571.113924	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M-H"	-1.007276
"522756"	857.174524	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M-H"	-1.007276
"900559"	285.053324	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-H"	-1.007276
"48249"	588.140471	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M-2H+NH4"	16.019271
"491214"	874.201071	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M-2H+NH4"	16.019271
"871206"	302.079871	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-2H+NH4"	16.019271
"35827"	593.095866	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M-2H+Na"	20.974666
"476480"	879.156466	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M-2H+Na"	20.974666
"860119"	307.035266	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-2H+Na"	20.974666
"1627829"	307.035266	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Na-2H"	20.974666
"97432"	303.041663	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M-H+Cl"	33.962126
"539907"	446.071963	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M-H+Cl"	33.962126
"933424"	160.011363	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-H+Cl"	33.962126
"274168"	607.090602	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+Cl"	34.969402
"665858"	893.151202	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+Cl"	34.969402
"1274252"	321.030002	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Cl"	34.969402
"21552"	609.069806	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M-2H+K"	36.948606
"464030"	895.130406	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M-2H+K"	36.948606
"842198"	323.009206	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-2H+K"	36.948606
"1566781"	323.009206	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+K-2H"	36.948606
"954664"	331.058794	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-H+HCOOH"	44.998194
"373972"	617.119401	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+HCOOH-H"	44.998201
"357856"	631.135051	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+Hac-H"	59.013851
"1505595"	345.074451	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Hac-H"	59.013851
"963295"	353.040751	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-H+NaCOOH"	66.980151
"114388"	321.030002	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+2Cl"	69.938804
"557228"	464.060302	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+2Cl"	69.938804
"1025661"	177.999702	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2Cl"	69.938804
"1245605"	364.979485	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Br"	78.918885
"1307684"	367.035472	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Cl+HCOOH"	80.974872
"1322265"	389.017429	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Cl+NaCOOH"	102.956829
"912961"	399.046186	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M-H+CF3COOH"	112.985586
"1291126"	435.022864	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Cl+CF3COOH"	148.962264
"1379141"	251.047924	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H-2H2O"	-35.012676
"1395544"	269.0579	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H-H2O"	-17.0027
"296325"	573.128476	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+H"	1.007276
"689476"	859.189076	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+H"	1.007276
"1363638"	287.067876	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H"	1.007276
"138352"	287.067876	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+2H"	2.014552
"577545"	430.098176	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+2H"	2.014552
"1050720"	144.037576	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2H"	2.014552
"215340"	191.714342666667	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+3H"	3.021828
"654900"	287.067876	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+3H"	3.021828
"1175214"	96.3608093333333	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+3H"	3.021828
"433016"	590.155023	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+NH4"	18.033823
"796930"	876.215623	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+NH4"	18.033823
"1691437"	304.094423	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+NH4"	18.033823
"338623"	295.5811495	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+H+NH4"	19.041099
"731046"	438.6114495	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+H+NH4"	19.041099
"1489240"	152.5508495	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H+NH4"	19.041099
"403545"	595.110418	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+Na"	22.989218
"766728"	881.171018	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+Na"	22.989218
"1612639"	309.049818	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Na"	22.989218
"325958"	298.058847	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+H+Na"	23.996494
"721538"	441.089147	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+H+Na"	23.996494
"1471107"	155.028547	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H+Na"	23.996494
"1062166"	103.688123333333	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2H+Na"	25.00377
"1264938"	319.094086	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+CH3OH+H"	33.033486
"387887"	611.084358	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+K"	38.963158
"747789"	897.144958	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+K"	38.963158
"1546563"	325.023758	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+K"	38.963158
"309206"	306.045817	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+H+K"	39.970434
"703814"	449.076117	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+H+K"	39.970434
"1456540"	163.015517	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H+K"	39.970434
"246235"	614.155026	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+ACN+H"	42.033826
"1221864"	328.094426	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+ACN+H"	42.033826
"1205750"	164.550851	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+ACN+2H"	43.041102
"201539"	617.09236	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+2Na-H"	44.97116
"640005"	903.15296	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+2Na-H"	44.97116
"1146187"	331.03176	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2Na-H"	44.97116
"186071"	309.049818	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+2Na"	45.978436
"623812"	452.080118	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+2Na"	45.978436
"1125130"	166.019518	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2Na"	45.978436
"1409383"	111.015437333333	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H+2Na"	46.985712
"1437488"	333.073346	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H+HCOOH"	47.012746
"226092"	314.08284	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+3H2O+2H"	56.04448
"1517435"	347.12539	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+IsoProp+H"	61.06479
"423933"	317.036788	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+Na+K"	61.952376
"784684"	460.067088	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+Na+K"	61.952376
"1672271"	174.006488	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Na+K"	61.952376
"262076"	636.136968	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+ACN+Na"	64.015768
"1240254"	350.076368	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+ACN+Na"	64.015768
"1723669"	350.099893	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+NH4+HCOOH"	64.039293
"1190116"	118.342751333333	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+3Na"	68.967654
"1662196"	355.055288	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Na+HCOOH"	68.994688
"166871"	649.04024	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+2K-H"	76.91904
"607527"	935.10084	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+2K-H"	76.91904
"1094226"	362.97964	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2K-H"	76.91904
"150679"	325.023758	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"2M+2K"	77.926316
"590604"	468.054058	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"3M+2K"	77.926316
"1076210"	181.993458	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2K"	77.926316
"1107233"	364.994192	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2K+H"	78.933592
"1342524"	365.081807	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+DMSO+H"	79.021207
"1014334"	369.120976	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2ACN+H"	83.060376
"1536831"	370.114608	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+IsoProp+Na+H"	84.054008
"1000000"	185.064126	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+2ACN+2H"	84.067652
"1597783"	371.029228	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+K+HCOOH"	84.968628
"1423443"	401.060738	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+H+CF3COOH"	115.000138
"1154824"	205.577401	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+3ACN+2H"	125.094202
"1697323"	418.087285	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+NH4+CF3COOH"	132.026685
"1634208"	423.04268	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+Na+CF3COOH"	136.98208
"1577867"	439.01662	"C15439"	"2-Methacryloyloxyethyl phenyl phosphate;Phenyl-P"	"C12H15O6P"	"286.0606"	"M+K+CF3COOH"	152.95602
"810418"	414.2042	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M"	0
"985047"	395.18581	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H2O-H"	-19.01839
"74382"	275.128857333333	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-3H"	-3.021828
"516131"	413.196924	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-3H"	-3.021828
"891746"	137.060790666667	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-3H"	-3.021828
"14699"	413.196924	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H"	-2.014552
"453170"	620.299024	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H"	-2.014552
"831340"	206.094824	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H"	-2.014552
"90961"	827.401124	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-H"	-1.007276
"528334"	1241.605324	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-H"	-1.007276
"901763"	413.196924	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H"	-1.007276
"51765"	844.427671	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H+NH4"	16.019271
"493512"	1258.631871	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H+NH4"	16.019271
"872410"	430.223471	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H+NH4"	16.019271
"35937"	849.383066	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H+Na"	20.974666
"477684"	1263.587266	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H+Na"	20.974666
"863267"	435.178866	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H+Na"	20.974666
"1628303"	435.178866	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na-2H"	20.974666
"97542"	431.185263	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-H+Cl"	33.962126
"545850"	638.287363	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-H+Cl"	33.962126
"940095"	224.083163	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+Cl"	33.962126
"280475"	863.377802	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Cl"	34.969402
"671072"	1277.582002	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+Cl"	34.969402
"1281653"	449.173602	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl"	34.969402
"26036"	865.357006	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M-2H+K"	36.948606
"464504"	1279.561206	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M-2H+K"	36.948606
"842308"	451.152806	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-2H+K"	36.948606
"1564705"	451.152806	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K-2H"	36.948606
"951495"	459.202394	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+HCOOH"	44.998194
"372991"	873.406601	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+HCOOH-H"	44.998201
"358696"	887.422251	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Hac-H"	59.013851
"1505706"	473.218051	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Hac-H"	59.013851
"965592"	481.184351	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+NaCOOH"	66.980151
"119965"	449.173602	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2Cl"	69.938804
"556244"	656.275702	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2Cl"	69.938804
"1027593"	242.071502	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2Cl"	69.938804
"1246079"	493.123085	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Br"	78.918885
"1308525"	495.179072	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl+HCOOH"	80.974872
"1326387"	517.161029	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl+NaCOOH"	102.956829
"912948"	527.189786	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M-H+CF3COOH"	112.985586
"1293060"	563.166464	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Cl+CF3COOH"	148.962264
"1377063"	379.191524	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H-2H2O"	-35.012676
"1397477"	397.2015	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H-H2O"	-17.0027
"298135"	829.415676	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H"	1.007276
"689707"	1243.619876	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H"	1.007276
"1364111"	415.211476	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H"	1.007276
"141167"	415.211476	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2H"	2.014552
"580816"	622.313576	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2H"	2.014552
"1052539"	208.109376	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2H"	2.014552
"215450"	277.143409333333	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+3H"	3.021828
"658291"	415.211476	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+3H"	3.021828
"1175323"	139.075342666667	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+3H"	3.021828
"435313"	846.442223	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+NH4"	18.033823
"800320"	1260.646423	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+NH4"	18.033823
"1689361"	432.238023	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+NH4"	18.033823
"345300"	423.7247495	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H+NH4"	19.041099
"731155"	630.8268495	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H+NH4"	19.041099
"1490809"	216.6226495	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+NH4"	19.041099
"405843"	851.397618	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Na"	22.989218
"768904"	1265.601818	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+Na"	22.989218
"1611656"	437.193418	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na"	22.989218
"327162"	426.202447	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H+Na"	23.996494
"722018"	633.304547	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H+Na"	23.996494
"1473405"	219.100347	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+Na"	23.996494
"1064463"	146.402656666667	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2H+Na"	25.00377
"1268328"	447.237686	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+CH3OH+H"	33.033486
"389091"	867.371558	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+K"	38.963158
"747900"	1281.575758	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+K"	38.963158
"1544486"	453.167358	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K"	38.963158
"308223"	434.189417	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+H+K"	39.970434
"702831"	641.291517	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+H+K"	39.970434
"1456650"	227.087317	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+K"	39.970434
"247439"	870.442226	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+ACN+H"	42.033826
"1219054"	456.238026	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+ACN+H"	42.033826
"1201844"	228.622651	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+ACN+2H"	43.041102
"202370"	873.37956	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2Na-H"	44.97116
"641567"	1287.58376	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2Na-H"	44.97116
"1146538"	459.17536	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2Na-H"	44.97116
"187522"	437.193418	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2Na"	45.978436
"627693"	644.295518	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2Na"	45.978436
"1130468"	230.091318	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2Na"	45.978436
"1412776"	153.729970666667	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+2Na"	46.985712
"1443434"	461.216946	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+HCOOH"	47.012746
"231307"	442.22644	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+3H2O+2H"	56.04448
"1519368"	475.26899	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+IsoProp+H"	61.06479
"420515"	445.180388	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+Na+K"	61.952376
"785597"	652.282488	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+Na+K"	61.952376
"1680028"	238.078288	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na+K"	61.952376
"263268"	892.424168	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+ACN+Na"	64.015768
"1240726"	478.219968	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+ACN+Na"	64.015768
"1722688"	478.243493	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+NH4+HCOOH"	64.039293
"1189133"	161.057284666667	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+3Na"	68.967654
"1659024"	483.198888	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na+HCOOH"	68.994688
"166981"	905.32744	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2K-H"	76.91904
"605085"	1319.53164	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2K-H"	76.91904
"1089962"	491.12324	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2K-H"	76.91904
"142405"	453.167358	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"2M+2K"	77.926316
"587434"	660.269458	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"3M+2K"	77.926316
"1069391"	246.065258	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2K"	77.926316
"1102968"	493.137792	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2K+H"	78.933592
"1338261"	493.225407	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+DMSO+H"	79.021207
"1010070"	497.264576	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2ACN+H"	83.060376
"1533300"	498.258208	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+IsoProp+Na+H"	84.054008
"1001205"	249.135926	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+2ACN+2H"	84.067652
"1597895"	499.172828	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K+HCOOH"	84.968628
"1420273"	529.204338	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+H+CF3COOH"	115.000138
"1160401"	269.649201	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+3ACN+2H"	125.094202
"1698287"	546.230885	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+NH4+CF3COOH"	132.026685
"1636855"	551.18628	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+Na+CF3COOH"	136.98208
"1577977"	567.16022	"C15440"	"Estra-135(10)-triene-36beta17beta-triol triacetate"	"C24H30O6"	"414.2042"	"M+K+CF3COOH"	152.95602
"808341"	648.5845	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M"	0
"978597"	629.56611	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-H2O-H"	-19.01839
"71212"	431.382390666667	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M-3H"	-3.021828
"511867"	647.577224	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M-3H"	-3.021828
"890762"	215.187557333333	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-3H"	-3.021828
"15525"	647.577224	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M-2H"	-2.014552
"454738"	971.869474	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M-2H"	-2.014552
"831814"	323.284974	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-2H"	-2.014552
"91437"	1296.161724	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M-H"	-1.007276
"530267"	1944.746224	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M-H"	-1.007276
"902966"	647.577224	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-H"	-1.007276
"54062"	1313.188271	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M-2H+NH4"	16.019271
"496902"	1961.772771	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M-2H+NH4"	16.019271
"871427"	664.603771	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-2H+NH4"	16.019271
"34954"	1318.143666	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M-2H+Na"	20.974666
"477794"	1966.728166	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M-2H+Na"	20.974666
"861796"	669.559166	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-2H+Na"	20.974666
"1627321"	669.559166	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Na-2H"	20.974666
"101662"	665.565563	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M-H+Cl"	33.962126
"547419"	989.857813	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M-H+Cl"	33.962126
"939111"	341.273313	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-H+Cl"	33.962126
"282167"	1332.138402	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+Cl"	34.969402
"670089"	1980.722902	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+Cl"	34.969402
"1281034"	683.553902	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Cl"	34.969402
"26146"	1334.117606	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M-2H+K"	36.948606
"464614"	1982.702106	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M-2H+K"	36.948606
"843512"	685.533106	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-2H+K"	36.948606
"1568097"	685.533106	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+K-2H"	36.948606
"955979"	693.582694	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-H+HCOOH"	44.998194
"375288"	1342.167201	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+HCOOH-H"	44.998201
"359170"	1356.182851	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+Hac-H"	59.013851
"1507517"	707.598351	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Hac-H"	59.013851
"968983"	715.564651	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-H+NaCOOH"	66.980151
"120075"	683.553902	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+2Cl"	69.938804
"559635"	1007.846152	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+2Cl"	69.938804
"1028433"	359.261652	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2Cl"	69.938804
"1249105"	727.503385	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Br"	78.918885
"1307178"	729.559372	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Cl+HCOOH"	80.974872
"1326862"	751.541329	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Cl+NaCOOH"	102.956829
"916097"	761.570086	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M-H+CF3COOH"	112.985586
"1294629"	797.546764	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Cl+CF3COOH"	148.962264
"1382527"	613.571824	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H-2H2O"	-35.012676
"1398282"	631.5818	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H-H2O"	-17.0027
"298435"	1298.176276	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+H"	1.007276
"690059"	1946.760776	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+H"	1.007276
"1364222"	649.591776	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H"	1.007276
"141343"	649.591776	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+2H"	2.014552
"581172"	973.884026	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+2H"	2.014552
"1052524"	325.299526	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2H"	2.014552
"215560"	433.396942666667	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+3H"	3.021828
"659012"	649.591776	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+3H"	3.021828
"1174339"	217.202109333333	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+3H"	3.021828
"434331"	1315.202823	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+NH4"	18.033823
"796419"	1963.787323	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+NH4"	18.033823
"1691656"	666.618323	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+NH4"	18.033823
"339937"	658.1050495	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+H+NH4"	19.041099
"736735"	982.3972995	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+H+NH4"	19.041099
"1492676"	333.8127995	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H+NH4"	19.041099
"407048"	1320.158218	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+Na"	22.989218
"769014"	1968.742718	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+Na"	22.989218
"1615046"	671.573718	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Na"	22.989218
"329704"	660.582747	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+H+Na"	23.996494
"721880"	984.874997	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+H+Na"	23.996494
"1476067"	336.290497	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H+Na"	23.996494
"1067489"	224.529423333333	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2H+Na"	25.00377
"1268440"	681.617986	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+CH3OH+H"	33.033486
"389201"	1336.132158	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+K"	38.963158
"749103"	1984.716658	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+K"	38.963158
"1551157"	687.547658	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+K"	38.963158
"308333"	668.569717	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+H+K"	39.970434
"702941"	992.861967	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+H+K"	39.970434
"1458947"	344.277467	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H+K"	39.970434
"246456"	1339.202826	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+ACN+H"	42.033826
"1218071"	690.618326	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+ACN+H"	42.033826
"1203047"	345.812801	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+ACN+2H"	43.041102
"202845"	1342.14016	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+2Na-H"	44.97116
"642042"	1990.72466	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+2Na-H"	44.97116
"1145189"	693.55566	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2Na-H"	44.97116
"188116"	671.573718	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+2Na"	45.978436
"626949"	995.865968	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+2Na"	45.978436
"1130090"	347.281468	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2Na"	45.978436
"1412766"	231.856737333333	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H+2Na"	46.985712
"1445537"	695.597246	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H+HCOOH"	47.012746
"234943"	676.60674	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+3H2O+2H"	56.04448
"1523247"	709.64929	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+IsoProp+H"	61.06479
"419532"	679.560688	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+Na+K"	61.952376
"783808"	1003.852938	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+Na+K"	61.952376
"1679045"	355.268438	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Na+K"	61.952376
"263378"	1361.184768	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+ACN+Na"	64.015768
"1239987"	712.600268	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+ACN+Na"	64.015768
"1722795"	712.623793	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+NH4+HCOOH"	64.039293
"1189244"	239.184051333333	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+3Na"	68.967654
"1659136"	717.579188	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Na+HCOOH"	68.994688
"166001"	1374.08804	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+2K-H"	76.91904
"603372"	2022.67254	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+2K-H"	76.91904
"1091166"	725.50354	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2K-H"	76.91904
"146890"	687.547658	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"2M+2K"	77.926316
"589730"	1011.839908	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"3M+2K"	77.926316
"1077160"	363.255408	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2K"	77.926316
"1109278"	727.518092	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2K+H"	78.933592
"1346026"	727.605707	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+DMSO+H"	79.021207
"1016378"	731.644876	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2ACN+H"	83.060376
"1535960"	732.638508	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+IsoProp+Na+H"	84.054008
"1001313"	366.326076	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+2ACN+2H"	84.067652
"1600190"	733.553128	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+K+HCOOH"	84.968628
"1420383"	763.584638	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+H+CF3COOH"	115.000138
"1161240"	386.839351	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+3ACN+2H"	125.094202
"1697667"	780.611185	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+NH4+CF3COOH"	132.026685
"1634696"	785.56658	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+Na+CF3COOH"	136.98208
"1578087"	801.54052	"C15441"	"Cholesteryl linoleate;(ZZ)-(3beta)-Cholest-5-en-3-ol 912-octadecadienoate"	"C45H76O2"	"648.5845"	"M+K+CF3COOH"	152.95602
"815378"	290.2246	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M"	0
"985269"	271.20621	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-H2O-H"	-19.01839
"71324"	192.475790666667	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M-3H"	-3.021828
"515258"	289.217324	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M-3H"	-3.021828
"891965"	95.7342573333333	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-3H"	-3.021828
"15596"	289.217324	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M-2H"	-2.014552
"455459"	434.329624	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M-2H"	-2.014552
"832284"	144.105024	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-2H"	-2.014552
"93979"	579.441924	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M-H"	-1.007276
"533294"	869.666524	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M-H"	-1.007276
"905263"	289.217324	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-H"	-1.007276
"55266"	596.468471	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M-2H+NH4"	16.019271
"491546"	886.693071	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M-2H+NH4"	16.019271
"875910"	306.243871	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-2H+NH4"	16.019271
"41625"	601.423866	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M-2H+Na"	20.974666
"482278"	891.648466	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M-2H+Na"	20.974666
"864130"	311.199266	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-2H+Na"	20.974666
"1634039"	311.199266	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Na-2H"	20.974666
"108333"	307.205663	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M-H+Cl"	33.962126
"549434"	452.317963	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M-H+Cl"	33.962126
"942141"	162.093363	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-H+Cl"	33.962126
"282772"	615.418602	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+Cl"	34.969402
"673479"	905.643202	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+Cl"	34.969402
"1281509"	325.194002	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Cl"	34.969402
"26255"	617.397806	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M-2H+K"	36.948606
"470801"	907.622406	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M-2H+K"	36.948606
"845445"	327.173206	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-2H+K"	36.948606
"1568205"	327.173206	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+K-2H"	36.948606
"956818"	335.222794	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-H+HCOOH"	44.998194
"376735"	625.447401	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+HCOOH-H"	44.998201
"357822"	639.463051	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+Hac-H"	59.013851
"1507383"	349.238451	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Hac-H"	59.013851
"972009"	357.204751	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-H+NaCOOH"	66.980151
"124560"	325.194002	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+2Cl"	69.938804
"556464"	470.306302	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+2Cl"	69.938804
"1027452"	180.081702	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2Cl"	69.938804
"1245936"	369.143485	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Br"	78.918885
"1308383"	371.199472	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Cl+HCOOH"	80.974872
"1326972"	393.181429	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Cl+NaCOOH"	102.956829
"915844"	403.210186	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M-H+CF3COOH"	112.985586
"1296926"	439.186864	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Cl+CF3COOH"	148.962264
"1382266"	255.211924	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H-2H2O"	-35.012676
"1397820"	273.2219	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H-H2O"	-17.0027
"296534"	581.456476	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+H"	1.007276
"691321"	871.681076	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+H"	1.007276
"1364332"	291.231876	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H"	1.007276
"141376"	291.231876	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+2H"	2.014552
"581329"	436.344176	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+2H"	2.014552
"1052594"	146.119576	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2H"	2.014552
"218831"	194.490342666667	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+3H"	3.021828
"658635"	291.231876	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+3H"	3.021828
"1173355"	97.7488093333333	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+3H"	3.021828
"435534"	598.483023	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+NH4"	18.033823
"795434"	888.707623	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+NH4"	18.033823
"1688486"	308.258423	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+NH4"	18.033823
"340047"	299.7451495	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+H+NH4"	19.041099
"731375"	444.8574495	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+H+NH4"	19.041099
"1489935"	154.6328495	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H+NH4"	19.041099
"407160"	603.438418	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+Na"	22.989218
"769877"	893.663018	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+Na"	22.989218
"1617343"	313.213818	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Na"	22.989218
"329571"	302.222847	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+H+Na"	23.996494
"720776"	447.335147	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+H+Na"	23.996494
"1475814"	157.110547	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H+Na"	23.996494
"1065777"	105.076123333333	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2H+Na"	25.00377
"1272076"	323.258086	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+CH3OH+H"	33.033486
"390771"	619.412358	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+K"	38.963158
"753228"	909.636958	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+K"	38.963158
"1553457"	329.187758	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+K"	38.963158
"310632"	310.209817	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+H+K"	39.970434
"703052"	455.322117	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+H+K"	39.970434
"1460152"	165.097517	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H+K"	39.970434
"249482"	622.483026	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+ACN+H"	42.033826
"1219275"	332.258426	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+ACN+H"	42.033826
"1207897"	166.632851	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+ACN+2H"	43.041102
"201862"	625.42036	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+2Na-H"	44.97116
"642881"	915.64496	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+2Na-H"	44.97116
"1145299"	335.19576	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2Na-H"	44.97116
"187131"	313.213818	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+2Na"	45.978436
"626937"	458.326118	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+2Na"	45.978436
"1129348"	168.101518	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2Na"	45.978436
"1411898"	112.403437333333	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H+2Na"	46.985712
"1444990"	337.237346	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H+HCOOH"	47.012746
"231886"	318.24684	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+3H2O+2H"	56.04448
"1522990"	351.28939	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+IsoProp+H"	61.06479
"422186"	321.200788	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+Na+K"	61.952376
"785497"	466.313088	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+Na+K"	61.952376
"1680617"	176.088488	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Na+K"	61.952376
"263488"	644.464968	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+ACN+Na"	64.015768
"1241074"	354.240368	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+ACN+Na"	64.015768
"1728221"	354.263893	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+NH4+HCOOH"	64.039293
"1193493"	119.730751333333	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+3Na"	68.967654
"1660342"	359.219288	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Na+HCOOH"	68.994688
"167204"	657.36824	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+2K-H"	76.91904
"604577"	947.59284	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+2K-H"	76.91904
"1090184"	367.14364	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2K-H"	76.91904
"148093"	329.187758	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"2M+2K"	77.926316
"592756"	474.300058	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"3M+2K"	77.926316
"1078729"	184.075458	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2K"	77.926316
"1110846"	369.158192	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2K+H"	78.933592
"1338480"	369.245807	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+DMSO+H"	79.021207
"1010290"	373.284976	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2ACN+H"	83.060376
"1538261"	374.278608	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+IsoProp+Na+H"	84.054008
"1002517"	187.146126	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+2ACN+2H"	84.067652
"1600302"	375.193228	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+K+HCOOH"	84.968628
"1422680"	405.224738	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+H+CF3COOH"	115.000138
"1162205"	207.659401	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+3ACN+2H"	125.094202
"1703609"	422.251285	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+NH4+CF3COOH"	132.026685
"1638169"	427.20668	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+Na+CF3COOH"	136.98208
"1578197"	443.18062	"C15442"	"5-Androstene-3beta16beta-diol"	"C19H30O2"	"290.2246"	"M+K+CF3COOH"	152.95602
"808561"	328.2038	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M"	0
"974493"	309.18541	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-H2O-H"	-19.01839
"67057"	217.795257333333	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M-3H"	-3.021828
"508807"	327.196524	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M-3H"	-3.021828
"885514"	108.393990666667	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-3H"	-3.021828
"14299"	327.196524	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M-2H"	-2.014552
"454588"	491.298424	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M-2H"	-2.014552
"832033"	163.094624	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-2H"	-2.014552
"93604"	655.400324	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M-H"	-1.007276
"529755"	983.604124	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M-H"	-1.007276
"902093"	327.196524	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-H"	-1.007276
"56469"	672.426871	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M-2H+NH4"	16.019271
"493842"	1000.630671	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M-2H+NH4"	16.019271
"876020"	344.223071	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-2H+NH4"	16.019271
"40642"	677.382266	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M-2H+Na"	20.974666
"482389"	1005.586066	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M-2H+Na"	20.974666
"864057"	349.178466	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-2H+Na"	20.974666
"1634099"	349.178466	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Na-2H"	20.974666
"109631"	345.184863	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M-H+Cl"	33.962126
"549797"	509.286763	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M-H+Cl"	33.962126
"942666"	181.082963	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-H+Cl"	33.962126
"282271"	691.377002	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+Cl"	34.969402
"675537"	1019.580802	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+Cl"	34.969402
"1282712"	363.173202	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Cl"	34.969402
"28551"	693.356206	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M-2H+K"	36.948606
"470303"	1021.560006	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M-2H+K"	36.948606
"845919"	365.152406	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-2H+K"	36.948606
"1567221"	365.152406	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+K-2H"	36.948606
"957657"	373.201994	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-H+HCOOH"	44.998194
"376602"	701.405801	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+HCOOH-H"	44.998201
"360484"	715.421451	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+Hac-H"	59.013851
"1504577"	387.217651	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Hac-H"	59.013851
"969931"	395.183951	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-H+NaCOOH"	66.980151
"121390"	363.173202	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+2Cl"	69.938804
"553292"	527.275102	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+2Cl"	69.938804
"1027562"	199.071302	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2Cl"	69.938804
"1244951"	407.122685	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Br"	78.918885
"1306303"	409.178672	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Cl+HCOOH"	80.974872
"1322706"	431.160629	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Cl+NaCOOH"	102.956829
"914861"	441.189386	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M-H+CF3COOH"	112.985586
"1293756"	477.166064	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Cl+CF3COOH"	148.962264
"1380673"	293.191124	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H-2H2O"	-35.012676
"1398245"	311.2011	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H-H2O"	-17.0027
"298345"	657.414876	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+H"	1.007276
"690889"	985.618676	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+H"	1.007276
"1366265"	329.211076	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H"	1.007276
"140739"	329.211076	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+2H"	2.014552
"580788"	493.312976	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+2H"	2.014552
"1052139"	165.109176	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2H"	2.014552
"218820"	219.809809333333	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+3H"	3.021828
"658866"	329.211076	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+3H"	3.021828
"1176747"	110.408542666667	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+3H"	3.021828
"433457"	674.441423	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+NH4"	18.033823
"793359"	1002.645223	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+NH4"	18.033823
"1688596"	346.237623	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+NH4"	18.033823
"340157"	337.7243495	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+H+NH4"	19.041099
"733671"	501.8262495	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+H+NH4"	19.041099
"1489680"	173.6224495	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H+NH4"	19.041099
"408121"	679.396818	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+Na"	22.989218
"768999"	1007.600618	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+Na"	22.989218
"1615267"	351.193018	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Na"	22.989218
"329561"	340.202047	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+H+Na"	23.996494
"718821"	504.303947	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+H+Na"	23.996494
"1476167"	176.100147	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H+Na"	23.996494
"1065766"	117.735856666667	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2H+Na"	25.00377
"1268660"	361.237286	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+CH3OH+H"	33.033486
"390516"	695.370758	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+K"	38.963158
"752973"	1023.574558	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+K"	38.963158
"1554295"	367.166958	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+K"	38.963158
"310742"	348.189017	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+H+K"	39.970434
"703162"	512.290917	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+H+K"	39.970434
"1455889"	184.087117	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H+K"	39.970434
"245584"	698.441426	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+ACN+H"	42.033826
"1217199"	370.237626	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+ACN+H"	42.033826
"1203270"	185.622451	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+ACN+2H"	43.041102
"198328"	701.37876	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+2Na-H"	44.97116
"636796"	1029.58256	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+2Na-H"	44.97116
"1145409"	373.17496	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2Na-H"	44.97116
"187240"	351.193018	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+2Na"	45.978436
"623883"	515.294918	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+2Na"	45.978436
"1125564"	187.091118	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2Na"	45.978436
"1412007"	125.063170666667	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H+2Na"	46.985712
"1440842"	375.216546	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H+HCOOH"	47.012746
"230903"	356.22604	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+3H2O+2H"	56.04448
"1522854"	389.26859	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+IsoProp+H"	61.06479
"420838"	359.179988	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+Na+K"	61.952376
"784633"	523.281888	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+Na+K"	61.952376
"1679266"	195.078088	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Na+K"	61.952376
"260317"	720.423368	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+ACN+Na"	64.015768
"1240782"	392.219568	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+ACN+Na"	64.015768
"1728087"	392.243093	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+NH4+HCOOH"	64.039293
"1192749"	132.390484666667	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+3Na"	68.967654
"1660817"	397.198488	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Na+HCOOH"	68.994688
"168043"	733.32664	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+2K-H"	76.91904
"604688"	1061.53044	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+2K-H"	76.91904
"1092481"	405.12284	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2K-H"	76.91904
"148203"	367.166958	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"2M+2K"	77.926316
"590680"	531.268858	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"3M+2K"	77.926316
"1078474"	203.065058	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2K"	77.926316
"1112048"	407.137392	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2K+H"	78.933592
"1340776"	407.225007	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+DMSO+H"	79.021207
"1009309"	411.264176	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2ACN+H"	83.060376
"1536545"	412.257808	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+IsoProp+Na+H"	84.054008
"1001534"	206.135726	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+2ACN+2H"	84.067652
"1600413"	413.172428	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+K+HCOOH"	84.968628
"1426070"	443.203938	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+H+CF3COOH"	115.000138
"1162705"	226.649001	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+3ACN+2H"	125.094202
"1699346"	460.230485	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+NH4+CF3COOH"	132.026685
"1637185"	465.18588	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+Na+CF3COOH"	136.98208
"1578307"	481.15982	"C15443"	"3-(Allyloxy)estra-135(10)-triene-16beta17beta-diol;3-(2-Propenyloxy)estra-135(10)-triene-16beta17beta-diol"	"C21H28O3"	"328.2038"	"M+K+CF3COOH"	152.95602
"808671"	338.2257	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M"	0
"975646"	319.20731	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H2O-H"	-19.01839
"64980"	224.476524	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-3H"	-3.021828
"512197"	337.218424	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-3H"	-3.021828
"888904"	111.734624	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-3H"	-3.021828
"13679"	337.218424	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H"	-2.014552
"454949"	506.331274	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H"	-2.014552
"832022"	168.105574	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H"	-2.014552
"94276"	675.444124	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-H"	-1.007276
"532546"	1013.669824	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-H"	-1.007276
"908404"	337.218424	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H"	-1.007276
"55487"	692.470671	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H+NH4"	16.019271
"500636"	1030.696371	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H+NH4"	16.019271
"876130"	354.244971	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H+NH4"	16.019271
"41845"	697.426066	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H+Na"	20.974666
"484685"	1035.651766	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H+Na"	20.974666
"863911"	359.200366	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H+Na"	20.974666
"1633243"	359.200366	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na-2H"	20.974666
"108555"	355.206763	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-H+Cl"	33.962126
"548481"	524.319613	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-H+Cl"	33.962126
"941023"	186.093913	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+Cl"	33.962126
"280556"	711.420802	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Cl"	34.969402
"674917"	1049.646502	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+Cl"	34.969402
"1283916"	373.195102	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl"	34.969402
"24287"	713.400006	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M-2H+K"	36.948606
"461664"	1051.625706	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M-2H+K"	36.948606
"840561"	375.174306	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-2H+K"	36.948606
"1564051"	375.174306	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K-2H"	36.948606
"956674"	383.223894	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+HCOOH"	44.998194
"376592"	721.449601	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+HCOOH-H"	44.998201
"355855"	735.465251	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Hac-H"	59.013851
"1498490"	397.239551	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Hac-H"	59.013851
"962751"	405.205851	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+NaCOOH"	66.980151
"117125"	373.195102	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2Cl"	69.938804
"551577"	542.307952	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2Cl"	69.938804
"1024391"	204.082252	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2Cl"	69.938804
"1243603"	417.144585	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Br"	78.918885
"1305318"	419.200572	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl+HCOOH"	80.974872
"1321723"	441.182529	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl+NaCOOH"	102.956829
"913878"	451.211286	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M-H+CF3COOH"	112.985586
"1291312"	487.187964	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Cl+CF3COOH"	148.962264
"1377503"	303.213024	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H-2H2O"	-35.012676
"1394999"	321.223	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H-H2O"	-17.0027
"296508"	677.458676	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H"	1.007276
"690844"	1015.684376	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H"	1.007276
"1366256"	339.232976	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H"	1.007276
"140976"	339.232976	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2H"	2.014552
"580778"	508.345826	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2H"	2.014552
"1052249"	170.120126	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2H"	2.014552
"219416"	226.491076	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+3H"	3.021828
"657638"	339.232976	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+3H"	3.021828
"1177221"	113.749176	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+3H"	3.021828
"435754"	694.485223	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+NH4"	18.033823
"793470"	1032.710923	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+NH4"	18.033823
"1691989"	356.259523	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+NH4"	18.033823
"342456"	347.7462495	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H+NH4"	19.041099
"732687"	516.8590995	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H+NH4"	19.041099
"1490156"	178.6333995	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+NH4"	19.041099
"406773"	699.440618	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Na"	22.989218
"768744"	1037.666318	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+Na"	22.989218
"1616716"	361.214918	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na"	22.989218
"328698"	350.223947	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H+Na"	23.996494
"720632"	519.336797	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H+Na"	23.996494
"1470566"	181.111097	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+Na"	23.996494
"1063810"	121.07649	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2H+Na"	25.00377
"1264396"	371.259186	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+CH3OH+H"	33.033486
"387346"	715.414558	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+K"	38.963158
"753203"	1053.640258	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+K"	38.963158
"1554771"	377.188858	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K"	38.963158
"312918"	358.210917	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+H+K"	39.970434
"702178"	527.323767	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+H+K"	39.970434
"1458185"	189.098067	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+K"	39.970434
"246787"	718.485226	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+ACN+H"	42.033826
"1218403"	380.259526	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+ACN+H"	42.033826
"1204473"	190.633401	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+ACN+2H"	43.041102
"197346"	721.42256	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2Na-H"	44.97116
"638728"	1059.64826	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2Na-H"	44.97116
"1144793"	383.19686	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2Na-H"	44.97116
"186988"	361.214918	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2Na"	45.978436
"623629"	530.327768	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2Na"	45.978436
"1127497"	192.102068	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2Na"	45.978436
"1409200"	128.403804	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+2Na"	46.985712
"1439129"	385.238446	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+HCOOH"	47.012746
"227732"	366.24794	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+3H2O+2H"	56.04448
"1519075"	399.29049	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+IsoProp+H"	61.06479
"417667"	369.201888	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+Na+K"	61.952376
"778663"	538.314738	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+Na+K"	61.952376
"1680832"	200.089038	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na+K"	61.952376
"262613"	740.467168	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+ACN+Na"	64.015768
"1237143"	402.241468	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+ACN+Na"	64.015768
"1728160"	402.264993	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+NH4+HCOOH"	64.039293
"1191402"	135.731118	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+3Na"	68.967654
"1659470"	407.220388	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na+HCOOH"	68.994688
"166695"	753.37044	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2K-H"	76.91904
"605891"	1091.59614	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2K-H"	76.91904
"1094778"	415.14474	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2K-H"	76.91904
"150503"	377.188858	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"2M+2K"	77.926316
"591884"	546.301708	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"3M+2K"	77.926316
"1078584"	208.076008	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2K"	77.926316
"1108879"	417.159292	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2K+H"	78.933592
"1340889"	417.246907	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+DMSO+H"	79.021207
"1008325"	421.286076	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2ACN+H"	83.060376
"1537019"	422.279708	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+IsoProp+Na+H"	84.054008
"998364"	211.146676	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+2ACN+2H"	84.067652
"1598335"	423.194328	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K+HCOOH"	84.968628
"1426180"	453.225838	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+H+CF3COOH"	115.000138
"1161209"	231.659951	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+3ACN+2H"	125.094202
"1699456"	470.252385	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+NH4+CF3COOH"	132.026685
"1638388"	475.20778	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+Na+CF3COOH"	136.98208
"1579510"	491.18172	"C15444"	"11beta17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one"	"C20H31FO3"	"338.2257"	"M+K+CF3COOH"	152.95602
"808781"	459.3865	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M"	0
"975756"	440.36811	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-H2O-H"	-19.01839
"64118"	305.250390666667	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M-3H"	-3.021828
"512307"	458.379224	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M-3H"	-3.021828
"883547"	152.121557333333	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-3H"	-3.021828
"13060"	458.379224	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M-2H"	-2.014552
"455503"	688.072474	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M-2H"	-2.014552
"832137"	228.685974	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-2H"	-2.014552
"93947"	917.765724	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M-H"	-1.007276
"533507"	1377.152224	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M-H"	-1.007276
"905593"	458.379224	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-H"	-1.007276
"57784"	934.792271	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M-2H+NH4"	16.019271
"499895"	1394.178771	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M-2H+NH4"	16.019271
"878307"	475.405771	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-2H+NH4"	16.019271
"38675"	939.747666	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M-2H+Na"	20.974666
"484795"	1399.134166	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M-2H+Na"	20.974666
"863617"	480.361166	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-2H+Na"	20.974666
"1631653"	480.361166	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Na-2H"	20.974666
"108180"	476.367563	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M-H+Cl"	33.962126
"548104"	706.060813	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M-H+Cl"	33.962126
"941135"	246.674313	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-H+Cl"	33.962126
"281518"	953.742402	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+Cl"	34.969402
"674792"	1413.128902	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+Cl"	34.969402
"1287306"	494.355902	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Cl"	34.969402
"24397"	955.721606	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M-2H+K"	36.948606
"460681"	1415.108106	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M-2H+K"	36.948606
"838485"	496.335106	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-2H+K"	36.948606
"1567441"	496.335106	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+K-2H"	36.948606
"956419"	504.384694	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-H+HCOOH"	44.998194
"376092"	963.771201	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+HCOOH-H"	44.998201
"357422"	977.786851	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+Hac-H"	59.013851
"1500787"	518.400351	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Hac-H"	59.013851
"965048"	526.366651	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-H+NaCOOH"	66.980151
"118329"	494.355902	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+2Cl"	69.938804
"557888"	724.049152	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+2Cl"	69.938804
"1024865"	264.662652	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2Cl"	69.938804
"1243350"	538.305385	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Br"	78.918885
"1305432"	540.361372	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Cl+HCOOH"	80.974872
"1322197"	562.343329	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Cl+NaCOOH"	102.956829
"913622"	572.372086	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M-H+CF3COOH"	112.985586
"1289965"	608.348764	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Cl+CF3COOH"	148.962264
"1375426"	424.373824	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H-2H2O"	-35.012676
"1389641"	442.3838	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H-H2O"	-17.0027
"293702"	919.780276	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+H"	1.007276
"691277"	1379.166776	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+H"	1.007276
"1366974"	460.393776	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H"	1.007276
"141406"	460.393776	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+2H"	2.014552
"580884"	690.087026	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+2H"	2.014552
"1052359"	230.700526	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2H"	2.014552
"218554"	307.264942666667	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+3H"	3.021828
"658356"	460.393776	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+3H"	3.021828
"1175871"	154.136109333333	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+3H"	3.021828
"434769"	936.806823	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+NH4"	18.033823
"797950"	1396.193323	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+NH4"	18.033823
"1689911"	477.420323	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+NH4"	18.033823
"343294"	468.9070495	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+H+NH4"	19.041099
"732797"	698.6002995	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+H+NH4"	19.041099
"1489900"	239.2137995	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H+NH4"	19.041099
"407733"	941.762218	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+Na"	22.989218
"769583"	1401.148718	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+Na"	22.989218
"1616461"	482.375718	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Na"	22.989218
"328443"	471.384747	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+H+Na"	23.996494
"720985"	701.077997	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+H+Na"	23.996494
"1471769"	241.691497	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H+Na"	23.996494
"1059546"	161.463423333333	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2H+Na"	25.00377
"1263413"	492.419986	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+CH3OH+H"	33.033486
"387456"	957.736158	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+K"	38.963158
"753684"	1417.122658	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+K"	38.963158
"1554886"	498.349658	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+K"	38.963158
"310961"	479.371717	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+H+K"	39.970434
"700102"	709.064967	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+H+K"	39.970434
"1456108"	249.678467	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H+K"	39.970434
"243618"	960.806826	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+ACN+H"	42.033826
"1213046"	501.420326	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+ACN+H"	42.033826
"1202396"	251.213801	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+ACN+2H"	43.041102
"198549"	963.74416	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+2Na-H"	44.97116
"638109"	1423.13066	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+2Na-H"	44.97116
"1145023"	504.35766	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2Na-H"	44.97116
"186490"	482.375718	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+2Na"	45.978436
"624103"	712.068968	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+2Na"	45.978436
"1126878"	252.682468	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2Na"	45.978436
"1406029"	168.790737333333	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H+2Na"	46.985712
"1438145"	506.399246	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H+HCOOH"	47.012746
"226749"	487.40874	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+3H2O+2H"	56.04448
"1515905"	520.45129	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+IsoProp+H"	61.06479
"412309"	490.362688	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+Na+K"	61.952376
"777680"	720.055938	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+Na+K"	61.952376
"1680577"	260.669438	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Na+K"	61.952376
"263817"	982.788768	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+ACN+Na"	64.015768
"1238712"	523.402268	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+ACN+Na"	64.015768
"1728107"	523.425793	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+NH4+HCOOH"	64.039293
"1192850"	176.118051333333	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+3Na"	68.967654
"1662132"	528.381188	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Na+HCOOH"	68.994688
"168262"	995.69204	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+2K-H"	76.91904
"606002"	1455.07854	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+2K-H"	76.91904
"1093794"	536.30554	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2K-H"	76.91904
"149520"	498.349658	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"2M+2K"	77.926316
"592358"	728.042908	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"3M+2K"	77.926316
"1077964"	268.656408	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2K"	77.926316
"1108986"	538.320092	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2K+H"	78.933592
"1344279"	538.407707	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+DMSO+H"	79.021207
"1011716"	542.446876	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2ACN+H"	83.060376
"1535306"	543.440508	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+IsoProp+Na+H"	84.054008
"1000661"	271.727076	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+2ACN+2H"	84.067652
"1600632"	544.355128	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+K+HCOOH"	84.968628
"1426291"	574.386638	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+H+CF3COOH"	115.000138
"1162171"	292.240351	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+3ACN+2H"	125.094202
"1700659"	591.413185	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+NH4+CF3COOH"	132.026685
"1638498"	596.36858	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+Na+CF3COOH"	136.98208
"1579620"	612.34252	"C15445"	"1H-5alpha-Cholest-2-eno32-bindole"	"C33H49N"	"459.3865"	"M+K+CF3COOH"	152.95602
"813266"	362.2257	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M"	0
"975866"	343.20731	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"65201"	240.476524	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"509137"	361.218424	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"883657"	119.734624	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"11711"	361.218424	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"454924"	542.331274	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"832120"	180.105574	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"92718"	723.444124	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"534104"	1085.669824	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"908255"	361.218424	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"59717"	740.470671	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"496725"	1102.696371	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"876714"	378.244971	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"44979"	745.426066	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"484541"	1107.651766	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"863972"	383.200366	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1633746"	383.200366	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"107679"	379.206763	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"548215"	560.319613	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"942217"	198.093913	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"282317"	759.420802	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"675019"	1121.646502	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1286322"	397.195102	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"24507"	761.400006	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"461884"	1123.625706	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"840781"	399.174306	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1567551"	399.174306	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"955434"	407.223894	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"374379"	769.449601	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"355345"	783.465251	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1500897"	421.239551	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"967345"	429.205851	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"120626"	397.195102	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"559092"	578.307952	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1022424"	216.082252	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1244190"	441.144585	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1304728"	443.200572	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1320157"	465.182529	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"913004"	475.211286	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1290804"	511.187964	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1374442"	327.213024	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1385377"	345.223	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"290531"	725.458676	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"687328"	1087.684376	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1361489"	363.232976	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"141064"	363.232976	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"580987"	544.345826	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1051488"	182.120126	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"218296"	242.491076	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"654575"	363.232976	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1175979"	121.749176	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"434878"	742.485223	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"796968"	1104.710923	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1690020"	380.259523	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"343404"	371.7462495	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"729627"	552.8590995	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1491104"	190.6333995	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"408373"	747.440618	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"769772"	1109.666318	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1618331"	385.214918	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"329930"	374.223947	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"719879"	555.336797	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1472972"	193.111097	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1061843"	129.07649	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1264616"	395.259186	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"389752"	763.414558	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"753792"	1125.640258	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1555551"	401.188858	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"313258"	382.210917	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"701306"	563.323767	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1456221"	201.098067	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"244820"	766.485226	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1216436"	404.259526	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1200319"	202.633401	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"197565"	769.42256	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"640040"	1131.64826	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1145738"	407.19686	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"187328"	385.214918	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"625306"	566.327768	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1128081"	204.102068	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1406139"	136.403804	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1438255"	409.238446	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"226859"	390.24794	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1514921"	423.29049	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"412419"	393.201888	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"777790"	574.314738	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1680322"	212.089038	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"261741"	788.467168	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1235540"	426.241468	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1727729"	426.264993	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1192716"	143.731118	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1659690"	431.220388	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"169101"	801.37044	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"605018"	1163.59614	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1092811"	439.14474	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"150723"	401.188858	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"593563"	582.301708	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1077709"	220.076008	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1106910"	441.159292	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1340014"	441.246907	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1009639"	445.286076	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1537241"	446.279708	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"1003568"	223.146676	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1600379"	447.194328	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1426402"	477.225838	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1159971"	243.659951	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1699675"	494.252385	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1638608"	499.20778	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1579730"	515.18172	"C15446"	"6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;6beta-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"809001"	362.2257	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M"	0
"974798"	343.20731	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H2O-H"	-19.01839
"63851"	240.476524	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-3H"	-3.021828
"509247"	361.218424	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-3H"	-3.021828
"883767"	119.734624	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-3H"	-3.021828
"12185"	361.218424	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H"	-2.014552
"453937"	542.331274	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H"	-2.014552
"831375"	180.105574	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H"	-2.014552
"93434"	723.444124	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H"	-1.007276
"533647"	1085.669824	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H"	-1.007276
"907636"	361.218424	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H"	-1.007276
"59827"	740.470671	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+NH4"	16.019271
"497199"	1102.696371	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+NH4"	16.019271
"876824"	378.244971	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+NH4"	16.019271
"45454"	745.426066	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+Na"	20.974666
"485015"	1107.651766	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+Na"	20.974666
"860633"	383.200366	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+Na"	20.974666
"1632355"	383.200366	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na-2H"	20.974666
"106696"	379.206763	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-H+Cl"	33.962126
"549176"	560.319613	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-H+Cl"	33.962126
"942638"	198.093913	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+Cl"	33.962126
"282463"	759.420802	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Cl"	34.969402
"674762"	1121.646502	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Cl"	34.969402
"1286432"	397.195102	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl"	34.969402
"22430"	761.400006	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M-2H+K"	36.948606
"465274"	1123.625706	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M-2H+K"	36.948606
"840891"	399.174306	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-2H+K"	36.948606
"1567661"	399.174306	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K-2H"	36.948606
"955180"	407.223894	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+HCOOH"	44.998194
"374124"	769.449601	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+HCOOH-H"	44.998201
"354361"	783.465251	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Hac-H"	59.013851
"1501007"	421.239551	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Hac-H"	59.013851
"968914"	429.205851	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+NaCOOH"	66.980151
"121830"	397.195102	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Cl"	69.938804
"559202"	578.307952	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Cl"	69.938804
"1022897"	216.082252	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Cl"	69.938804
"1242475"	441.144585	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Br"	78.918885
"1305405"	443.200572	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+HCOOH"	80.974872
"1321688"	465.182529	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+NaCOOH"	102.956829
"912382"	475.211286	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M-H+CF3COOH"	112.985586
"1290914"	511.187964	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Cl+CF3COOH"	148.962264
"1370178"	327.213024	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-2H2O"	-35.012676
"1384394"	345.223	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H-H2O"	-17.0027
"285174"	725.458676	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H"	1.007276
"685250"	1087.684376	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H"	1.007276
"1360505"	363.232976	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H"	1.007276
"140685"	363.232976	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2H"	2.014552
"577329"	544.345826	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2H"	2.014552
"1052571"	182.120126	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H"	2.014552
"218041"	242.491076	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H"	3.021828
"656871"	363.232976	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+3H"	3.021828
"1176089"	121.749176	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3H"	3.021828
"432801"	742.485223	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+NH4"	18.033823
"798171"	1104.710923	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+NH4"	18.033823
"1692316"	380.259523	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4"	18.033823
"337315"	371.7462495	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+NH4"	19.041099
"730830"	552.8590995	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+NH4"	19.041099
"1486838"	190.6333995	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+NH4"	19.041099
"404428"	747.440618	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na"	22.989218
"767977"	1109.666318	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na"	22.989218
"1615708"	385.214918	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na"	22.989218
"324650"	374.223947	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+Na"	23.996494
"715979"	555.336797	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+Na"	23.996494
"1470895"	193.111097	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+Na"	23.996494
"1058673"	129.07649	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2H+Na"	25.00377
"1265819"	395.259186	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+CH3OH+H"	33.033486
"390592"	763.414558	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+K"	38.963158
"753293"	1125.640258	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+K"	38.963158
"1554370"	401.188858	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K"	38.963158
"311180"	382.210917	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+H+K"	39.970434
"701415"	563.323767	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+H+K"	39.970434
"1456327"	201.098067	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+K"	39.970434
"243836"	766.485226	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+H"	42.033826
"1215451"	404.259526	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+H"	42.033826
"1201520"	202.633401	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+2H"	43.041102
"196580"	769.42256	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na-H"	44.97116
"640510"	1131.64826	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na-H"	44.97116
"1142565"	407.19686	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na-H"	44.97116
"184033"	385.214918	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2Na"	45.978436
"623591"	566.327768	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2Na"	45.978436
"1127095"	204.102068	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2Na"	45.978436
"1402239"	136.403804	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+2Na"	46.985712
"1435081"	409.238446	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+HCOOH"	47.012746
"226969"	390.24794	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+3H2O+2H"	56.04448
"1515030"	423.29049	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+H"	61.06479
"409613"	393.201888	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+Na+K"	61.952376
"777900"	574.314738	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+Na+K"	61.952376
"1674232"	212.089038	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+K"	61.952376
"260757"	788.467168	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+ACN+Na"	64.015768
"1234557"	426.241468	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+ACN+Na"	64.015768
"1727595"	426.264993	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+HCOOH"	64.039293
"1192948"	143.731118	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3Na"	68.967654
"1658705"	431.220388	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+HCOOH"	68.994688
"165566"	801.37044	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K-H"	76.91904
"605127"	1163.59614	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K-H"	76.91904
"1090734"	439.14474	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K-H"	76.91904
"148646"	401.188858	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"2M+2K"	77.926316
"593308"	582.301708	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"3M+2K"	77.926316
"1075998"	220.076008	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K"	77.926316
"1105927"	441.159292	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2K+H"	78.933592
"1340125"	441.246907	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+DMSO+H"	79.021207
"1009749"	445.286076	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+H"	83.060376
"1537351"	446.279708	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+IsoProp+Na+H"	84.054008
"1003071"	223.146676	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+2ACN+2H"	84.067652
"1600854"	447.194328	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+HCOOH"	84.968628
"1425419"	477.225838	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+H+CF3COOH"	115.000138
"1160445"	243.659951	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+3ACN+2H"	125.094202
"1699785"	494.252385	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+NH4+CF3COOH"	132.026685
"1638718"	499.20778	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+Na+CF3COOH"	136.98208
"1578747"	515.18172	"C15447"	"16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate;16alpha-Fluorotestosterone propionate"	"C22H31FO3"	"362.2257"	"M+K+CF3COOH"	152.95602
"814580"	208.1252	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M"	0
"984836"	189.10681	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H2O-H"	-19.01839
"74171"	137.742857333333	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-3H"	-3.021828
"517378"	207.117924	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-3H"	-3.021828
"893720"	68.3677906666667	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-3H"	-3.021828
"13027"	207.117924	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H"	-2.014552
"455279"	311.180524	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H"	-2.014552
"832725"	103.055324	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H"	-2.014552
"93666"	415.243124	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-H"	-1.007276
"530306"	623.368324	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-H"	-1.007276
"905922"	207.117924	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H"	-1.007276
"57016"	432.269671	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H+NH4"	16.019271
"499130"	640.394871	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H+NH4"	16.019271
"877297"	224.144471	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H+NH4"	16.019271
"44473"	437.225066	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H+Na"	20.974666
"482939"	645.350266	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H+Na"	20.974666
"860743"	229.099866	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H+Na"	20.974666
"1632953"	229.099866	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na-2H"	20.974666
"107899"	225.106263	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-H+Cl"	33.962126
"549531"	329.168863	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-H+Cl"	33.962126
"941950"	121.043663	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+Cl"	33.962126
"282579"	451.219802	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Cl"	34.969402
"674996"	659.345002	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+Cl"	34.969402
"1283266"	243.094602	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl"	34.969402
"26920"	453.199006	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M-2H+K"	36.948606
"467575"	661.324206	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M-2H+K"	36.948606
"838814"	245.073806	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-2H+K"	36.948606
"1567771"	245.073806	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K-2H"	36.948606
"957480"	253.123394	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+HCOOH"	44.998194
"374963"	461.248601	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+HCOOH-H"	44.998201
"358846"	475.264251	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Hac-H"	59.013851
"1505857"	267.139051	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Hac-H"	59.013851
"969389"	275.105351	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+NaCOOH"	66.980151
"116472"	243.094602	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2Cl"	69.938804
"558219"	347.157202	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2Cl"	69.938804
"1025925"	139.032002	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2Cl"	69.938804
"1244410"	287.044085	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Br"	78.918885
"1306858"	289.100072	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl+HCOOH"	80.974872
"1323260"	311.082029	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl+NaCOOH"	102.956829
"911888"	321.110786	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M-H+CF3COOH"	112.985586
"1297592"	357.087464	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Cl+CF3COOH"	148.962264
"1377943"	173.112524	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H-2H2O"	-35.012676
"1391065"	191.1225	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H-H2O"	-17.0027
"287471"	417.257676	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H"	1.007276
"686453"	625.382876	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H"	1.007276
"1363896"	209.132476	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H"	1.007276
"141417"	209.132476	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2H"	2.014552
"578533"	313.195076	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2H"	2.014552
"1051342"	105.069876	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2H"	2.014552
"219123"	139.757409333333	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+3H"	3.021828
"656618"	209.132476	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+3H"	3.021828
"1176928"	70.3823426666667	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+3H"	3.021828
"435100"	434.284223	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+NH4"	18.033823
"800717"	642.409423	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+NH4"	18.033823
"1688048"	226.159023	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+NH4"	18.033823
"340704"	217.6457495	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H+NH4"	19.041099
"734221"	321.7083495	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H+NH4"	19.041099
"1490233"	113.5831495	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+NH4"	19.041099
"404539"	439.239618	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Na"	22.989218
"768087"	647.364818	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+Na"	22.989218
"1614727"	231.114418	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na"	22.989218
"325856"	220.123447	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H+Na"	23.996494
"713905"	324.186047	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H+Na"	23.996494
"1472100"	116.060847	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+Na"	23.996494
"1064252"	77.7096566666667	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2H+Na"	25.00377
"1268484"	241.158686	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+CH3OH+H"	33.033486
"391067"	455.213558	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+K"	38.963158
"750604"	663.338758	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+K"	38.963158
"1551562"	247.088358	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K"	38.963158
"310925"	228.110417	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+H+K"	39.970434
"703710"	332.173017	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+H+K"	39.970434
"1454250"	124.047817	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+K"	39.970434
"247226"	458.284226	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+ACN+H"	42.033826
"1218840"	250.159026	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+ACN+H"	42.033826
"1204909"	125.583151	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+ACN+2H"	43.041102
"202157"	461.22156	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2Na-H"	44.97116
"639169"	669.34676	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2Na-H"	44.97116
"1144496"	253.09636	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2Na-H"	44.97116
"183050"	231.114418	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2Na"	45.978436
"624795"	335.177018	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2Na"	45.978436
"1123931"	127.051818	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2Na"	45.978436
"1404172"	85.0369706666667	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+2Na"	46.985712
"1440665"	255.137946	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+HCOOH"	47.012746
"230359"	236.14744	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+3H2O+2H"	56.04448
"1518421"	269.18999	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+IsoProp+H"	61.06479
"422851"	239.101388	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+Na+K"	61.952376
"781292"	343.163988	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+Na+K"	61.952376
"1680425"	135.038788	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na+K"	61.952376
"259773"	480.266168	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+ACN+Na"	64.015768
"1240883"	272.140968	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+ACN+Na"	64.015768
"1728381"	272.164493	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+NH4+HCOOH"	64.039293
"1192930"	92.3642846666667	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+3Na"	68.967654
"1657722"	277.119888	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na+HCOOH"	68.994688
"164585"	493.16944	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2K-H"	76.91904
"605236"	701.29464	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2K-H"	76.91904
"1094125"	285.04424	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2K-H"	76.91904
"143286"	247.088358	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"2M+2K"	77.926316
"596217"	351.150958	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"3M+2K"	77.926316
"1078296"	143.025758	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2K"	77.926316
"1109318"	287.058792	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2K+H"	78.933592
"1341328"	287.146407	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+DMSO+H"	79.021207
"1013136"	291.185576	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2ACN+H"	83.060376
"1529075"	292.179208	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+IsoProp+Na+H"	84.054008
"993336"	146.096426	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+2ACN+2H"	84.067652
"1592215"	293.093828	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K+HCOOH"	84.968628
"1423342"	323.125338	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+H+CF3COOH"	115.000138
"1154719"	166.609701	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+3ACN+2H"	125.094202
"1708645"	340.151885	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+NH4+CF3COOH"	132.026685
"1639921"	345.10728	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+Na+CF3COOH"	136.98208
"1579951"	361.08122	"C15449"	"trans-12-Diphenylcyclobutane"	"C16H16"	"208.1252"	"M+K+CF3COOH"	152.95602
"811409"	360.2277	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M"	0
"976198"	341.20931	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-H2O-H"	-19.01839
"67719"	239.144524	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M-3H"	-3.021828
"511654"	359.220424	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M-3H"	-3.021828
"882895"	119.068624	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-3H"	-3.021828
"10218"	359.220424	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M-2H"	-2.014552
"452336"	539.334274	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M-2H"	-2.014552
"825394"	179.106574	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-2H"	-2.014552
"85387"	719.448124	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M-H"	-1.007276
"530417"	1079.675824	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M-H"	-1.007276
"901657"	359.220424	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-H"	-1.007276
"58585"	736.474671	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M-2H+NH4"	16.019271
"493407"	1096.702371	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M-2H+NH4"	16.019271
"874126"	376.246971	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-2H+NH4"	16.019271
"39110"	741.430066	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M-2H+Na"	20.974666
"479767"	1101.657766	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M-2H+Na"	20.974666
"854291"	381.202366	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-2H+Na"	20.974666
"1628201"	381.202366	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Na-2H"	20.974666
"104729"	377.208763	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M-H+Cl"	33.962126
"548180"	557.322613	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M-H+Cl"	33.962126
"938901"	197.094913	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-H+Cl"	33.962126
"282159"	755.424802	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+Cl"	34.969402
"673159"	1115.652502	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+Cl"	34.969402
"1280096"	395.197102	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Cl"	34.969402
"28123"	757.404006	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M-2H+K"	36.948606
"468777"	1117.631706	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M-2H+K"	36.948606
"838923"	397.176306	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-2H+K"	36.948606
"1563507"	397.176306	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+K-2H"	36.948606
"956861"	405.225894	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-H+HCOOH"	44.998194
"374709"	765.453601	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+HCOOH-H"	44.998201
"353489"	779.469251	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+Hac-H"	59.013851
"1504144"	419.241551	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Hac-H"	59.013851
"970592"	427.207851	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-H+NaCOOH"	66.980151
"114396"	395.197102	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+2Cl"	69.938804
"558329"	575.310952	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+2Cl"	69.938804
"1024942"	215.083252	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2Cl"	69.938804
"1242334"	439.146585	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Br"	78.918885
"1305875"	441.202572	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Cl+HCOOH"	80.974872
"1320212"	463.184529	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Cl+NaCOOH"	102.956829
"911876"	473.213286	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M-H+CF3COOH"	112.985586
"1292236"	509.189964	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Cl+CF3COOH"	148.962264
"1376960"	325.215024	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H-2H2O"	-35.012676
"1390082"	343.225	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H-H2O"	-17.0027
"287581"	721.462676	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+H"	1.007276
"686563"	1081.690376	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+H"	1.007276
"1357446"	361.234976	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H"	1.007276
"141358"	361.234976	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+2H"	2.014552
"575363"	541.348826	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+2H"	2.014552
"1048536"	181.121126	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2H"	2.014552
"216437"	241.159076	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+3H"	3.021828
"657092"	361.234976	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+3H"	3.021828
"1173029"	121.083176	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+3H"	3.021828
"437032"	738.489223	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+NH4"	18.033823
"796205"	1098.716923	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+NH4"	18.033823
"1689251"	378.261523	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+NH4"	18.033823
"339722"	369.7482495	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+H+NH4"	19.041099
"734331"	549.8620995	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+H+NH4"	19.041099
"1490711"	189.6343995	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H+NH4"	19.041099
"403556"	743.444618	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+Na"	22.989218
"765644"	1103.672318	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+Na"	22.989218
"1613744"	383.216918	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Na"	22.989218
"323779"	372.225947	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+H+Na"	23.996494
"714015"	552.339797	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+H+Na"	23.996494
"1468929"	192.112097	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H+Na"	23.996494
"1064362"	128.41049	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2H+Na"	25.00377
"1268958"	393.261186	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+CH3OH+H"	33.033486
"391908"	759.418558	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+K"	38.963158
"752904"	1119.646258	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+K"	38.963158
"1551310"	399.190858	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+K"	38.963158
"311399"	380.212917	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+H+K"	39.970434
"703821"	560.326767	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+H+K"	39.970434
"1455454"	200.099067	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H+K"	39.970434
"249160"	762.489226	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+ACN+H"	42.033826
"1220774"	402.261526	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+ACN+H"	42.033826
"1204655"	201.634401	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+ACN+2H"	43.041102
"198988"	765.42656	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+2Na-H"	44.97116
"638915"	1125.65426	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+2Na-H"	44.97116
"1143877"	405.19886	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2Na-H"	44.97116
"182067"	383.216918	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+2Na"	45.978436
"624177"	563.330768	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+2Na"	45.978436
"1119302"	203.103068	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2Na"	45.978436
"1405374"	135.737804	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H+2Na"	46.985712
"1443328"	407.240446	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H+HCOOH"	47.012746
"231564"	388.24994	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+3H2O+2H"	56.04448
"1515252"	421.29249	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+IsoProp+H"	61.06479
"420408"	391.203888	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+Na+K"	61.952376
"779215"	571.317738	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+Na+K"	61.952376
"1680292"	211.090038	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Na+K"	61.952376
"255510"	784.471168	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+ACN+Na"	64.015768
"1240626"	424.243468	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+ACN+Na"	64.015768
"1728139"	424.266993	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+NH4+HCOOH"	64.039293
"1193768"	143.065118	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+3Na"	68.967654
"1658927"	429.222388	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Na+HCOOH"	68.994688
"165786"	797.37444	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+2K-H"	76.91904
"605348"	1157.60214	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+2K-H"	76.91904
"1090956"	437.14674	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2K-H"	76.91904
"144490"	399.190858	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"2M+2K"	77.926316
"595962"	579.304708	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"3M+2K"	77.926316
"1082659"	219.077008	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2K"	77.926316
"1106148"	439.161292	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2K+H"	78.933592
"1343624"	439.248907	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+DMSO+H"	79.021207
"1011060"	443.288076	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2ACN+H"	83.060376
"1529184"	444.281708	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+IsoProp+Na+H"	84.054008
"993446"	222.147676	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+2ACN+2H"	84.067652
"1593418"	445.196328	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+K+HCOOH"	84.968628
"1422356"	475.227838	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+H+CF3COOH"	115.000138
"1162719"	242.660951	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+3ACN+2H"	125.094202
"1706568"	492.254385	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+NH4+CF3COOH"	132.026685
"1640031"	497.20978	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+Na+CF3COOH"	136.98208
"1580061"	513.18372	"C15450"	"S 1033;(5Z9alpha11alpha13E)-911-Dihydroxyprosta-513-dien-1-oic acid monosodium salt"	"C20H33O4Na"	"360.2277"	"M+K+CF3COOH"	152.95602
"809332"	326.1366	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M"	0
"979588"	307.11821	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-H2O-H"	-19.01839
"66735"	216.417124	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M-3H"	-3.021828
"511764"	325.129324	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M-3H"	-3.021828
"886285"	107.704924	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-3H"	-3.021828
"10328"	325.129324	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M-2H"	-2.014552
"452445"	488.197624	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M-2H"	-2.014552
"825504"	162.061024	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-2H"	-2.014552
"85497"	651.265924	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M-H"	-1.007276
"525058"	977.402524	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M-H"	-1.007276
"900674"	325.129324	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-H"	-1.007276
"57236"	668.292471	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M-2H+NH4"	16.019271
"493517"	994.429071	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M-2H+NH4"	16.019271
"874601"	342.155871	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-2H+NH4"	16.019271
"39220"	673.247866	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M-2H+Na"	20.974666
"479877"	999.384466	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M-2H+Na"	20.974666
"860961"	347.111266	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-2H+Na"	20.974666
"1631957"	347.111266	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Na-2H"	20.974666
"108973"	343.117663	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M-H+Cl"	33.962126
"546225"	506.185963	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M-H+Cl"	33.962126
"940104"	180.049363	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-H+Cl"	33.962126
"282071"	687.242602	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+Cl"	34.969402
"673876"	1013.379202	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+Cl"	34.969402
"1278019"	361.106002	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Cl"	34.969402
"28235"	689.221806	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M-2H+K"	36.948606
"467794"	1015.358406	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M-2H+K"	36.948606
"842315"	363.085206	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-2H+K"	36.948606
"1564711"	363.085206	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+K-2H"	36.948606
"956970"	371.134794	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-H+HCOOH"	44.998194
"376644"	697.271401	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+HCOOH-H"	44.998201
"360890"	711.287051	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+Hac-H"	59.013851
"1507536"	385.150451	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Hac-H"	59.013851
"969974"	393.116751	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-H+NaCOOH"	66.980151
"122889"	361.106002	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+2Cl"	69.938804
"563542"	524.174302	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+2Cl"	69.938804
"1030519"	198.037702	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2Cl"	69.938804
"1249005"	405.055485	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Br"	78.918885
"1308173"	407.111472	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Cl+HCOOH"	80.974872
"1325668"	429.093429	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Cl+NaCOOH"	102.956829
"913445"	439.122186	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M-H+CF3COOH"	112.985586
"1292346"	475.098864	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Cl+CF3COOH"	148.962264
"1377070"	291.123924	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H-2H2O"	-35.012676
"1386912"	309.1339	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H-H2O"	-17.0027
"292064"	653.280476	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+H"	1.007276
"686673"	979.417076	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+H"	1.007276
"1365209"	327.143876	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H"	1.007276
"134818"	327.143876	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+2H"	2.014552
"577659"	490.212176	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+2H"	2.014552
"1040989"	164.075576	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2H"	2.014552
"208891"	218.431676	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+3H"	3.021828
"649546"	327.143876	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+3H"	3.021828
"1170952"	109.719476	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+3H"	3.021828
"435318"	670.307023	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+NH4"	18.033823
"791939"	996.443623	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+NH4"	18.033823
"1689359"	344.170423	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+NH4"	18.033823
"336550"	335.6571495	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+H+NH4"	19.041099
"731159"	498.7254495	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+H+NH4"	19.041099
"1491306"	172.5888495	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H+NH4"	19.041099
"404758"	675.262418	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+Na"	22.989218
"764660"	1001.399018	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+Na"	22.989218
"1613852"	349.125818	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Na"	22.989218
"321703"	338.134847	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+H+Na"	23.996494
"713032"	501.203147	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+H+Na"	23.996494
"1466853"	175.066547	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H+Na"	23.996494
"1062286"	117.04679	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2H+Na"	25.00377
"1267246"	359.170086	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+CH3OH+H"	33.033486
"391286"	691.236358	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+K"	38.963158
"751188"	1017.372958	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+K"	38.963158
"1552875"	365.099758	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+K"	38.963158
"311510"	346.121817	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+H+K"	39.970434
"705024"	509.190117	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+H+K"	39.970434
"1455564"	183.053517	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H+K"	39.970434
"247446"	694.307026	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+ACN+H"	42.033826
"1221248"	368.170426	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+ACN+H"	42.033826
"1205130"	184.588851	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+ACN+2H"	43.041102
"199097"	697.24436	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+2Na-H"	44.97116
"640846"	1023.38096	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+2Na-H"	44.97116
"1143986"	371.10776	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2Na-H"	44.97116
"183270"	349.125818	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+2Na"	45.978436
"625014"	512.194118	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+2Na"	45.978436
"1119777"	186.057518	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2Na"	45.978436
"1406576"	124.374104	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H+2Na"	46.985712
"1444166"	373.149346	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H+HCOOH"	47.012746
"232767"	354.15884	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+3H2O+2H"	56.04448
"1515362"	387.20139	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+IsoProp+H"	61.06479
"413955"	357.112788	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+Na+K"	61.952376
"781513"	520.181088	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+Na+K"	61.952376
"1674565"	194.044488	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Na+K"	61.952376
"264733"	716.288968	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+ACN+Na"	64.015768
"1240738"	390.152368	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+ACN+Na"	64.015768
"1727071"	390.175893	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+NH4+HCOOH"	64.039293
"1194111"	131.701418	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+3Na"	68.967654
"1663411"	395.131288	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Na+HCOOH"	68.994688
"168451"	729.19224	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+2K-H"	76.91904
"610198"	1055.32884	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+2K-H"	76.91904
"1092161"	403.05564	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2K-H"	76.91904
"150070"	365.099758	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"2M+2K"	77.926316
"596602"	528.168058	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"3M+2K"	77.926316
"1083463"	202.031458	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2K"	77.926316
"1113550"	405.070192	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2K+H"	78.933592
"1345923"	405.157807	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+DMSO+H"	79.021207
"1014087"	409.196976	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2ACN+H"	83.060376
"1529296"	410.190608	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+IsoProp+Na+H"	84.054008
"995743"	205.102126	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+2ACN+2H"	84.067652
"1593529"	411.105228	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+K+HCOOH"	84.968628
"1421372"	441.136738	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+H+CF3COOH"	115.000138
"1161500"	225.615401	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+3ACN+2H"	125.094202
"1708864"	458.163285	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+NH4+CF3COOH"	132.026685
"1639048"	463.11868	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+Na+CF3COOH"	136.98208
"1579078"	479.09262	"C15451"	"Hinokitiol glucoside;beta-Thujaplicin 2-O-beta-D-glucoside"	"C16H22O7"	"326.1366"	"M+K+CF3COOH"	152.95602
"809442"	282.0691	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M"	0
"985166"	263.05071	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-H2O-H"	-19.01839
"71220"	187.038790666667	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M-3H"	-3.021828
"511875"	281.061824	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M-3H"	-3.021828
"890769"	93.0157573333333	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-3H"	-3.021828
"11532"	281.061824	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M-2H"	-2.014552
"455107"	422.096374	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M-2H"	-2.014552
"827800"	140.027274	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-2H"	-2.014552
"90344"	563.130924	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M-H"	-1.007276
"528451"	845.200024	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M-H"	-1.007276
"909534"	281.061824	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-H"	-1.007276
"52973"	580.157471	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M-2H+NH4"	16.019271
"501164"	862.226571	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M-2H+NH4"	16.019271
"877626"	298.088371	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-2H+NH4"	16.019271
"39331"	585.112866	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M-2H+Na"	20.974666
"485337"	867.181966	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M-2H+Na"	20.974666
"863503"	303.043766	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-2H+Na"	20.974666
"1628421"	303.043766	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Na-2H"	20.974666
"106044"	299.050163	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M-H+Cl"	33.962126
"546336"	440.084713	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M-H+Cl"	33.962126
"934747"	158.015613	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-H+Cl"	33.962126
"278771"	599.107602	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+Cl"	34.969402
"674472"	881.176702	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+Cl"	34.969402
"1287249"	317.038502	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Cl"	34.969402
"27252"	601.086806	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M-2H+K"	36.948606
"468999"	883.155906	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M-2H+K"	36.948606
"844614"	319.017706	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-2H+K"	36.948606
"1569565"	319.017706	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+K-2H"	36.948606
"955258"	327.067294	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-H+HCOOH"	44.998194
"375296"	609.136401	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+HCOOH-H"	44.998201
"357357"	623.152051	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+Hac-H"	59.013851
"1503639"	341.082951	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Hac-H"	59.013851
"968990"	349.049251	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-H+NaCOOH"	66.980151
"121907"	317.038502	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+2Cl"	69.938804
"563288"	458.073052	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+2Cl"	69.938804
"1027349"	176.003952	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2Cl"	69.938804
"1245835"	360.987985	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Br"	78.918885
"1310470"	363.043972	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Cl+HCOOH"	80.974872
"1324685"	385.025929	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Cl+NaCOOH"	102.956829
"919024"	395.054686	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M-H+CF3COOH"	112.985586
"1292452"	431.031364	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Cl+CF3COOH"	148.962264
"1377180"	247.056424	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H-2H2O"	-35.012676
"1388114"	265.0664	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H-H2O"	-17.0027
"288894"	565.145476	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+H"	1.007276
"681314"	847.214576	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+H"	1.007276
"1362039"	283.076376	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H"	1.007276
"140397"	283.076376	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+2H"	2.014552
"571208"	424.110926	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+2H"	2.014552
"1044381"	142.041826	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2H"	2.014552
"211189"	189.053342666667	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+3H"	3.021828
"654031"	283.076376	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+3H"	3.021828
"1169968"	95.0303093333333	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+3H"	3.021828
"432148"	582.172023	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+NH4"	18.033823
"793143"	864.241123	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+NH4"	18.033823
"1694948"	300.102923	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+NH4"	18.033823
"342863"	291.5896495	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+H+NH4"	19.041099
"735651"	432.6241995	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+H+NH4"	19.041099
"1490564"	150.5550995	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H+NH4"	19.041099
"406695"	587.127418	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+Na"	22.989218
"766960"	869.196518	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+Na"	22.989218
"1612867"	305.058318	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Na"	22.989218
"322904"	294.067347	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+H+Na"	23.996494
"713142"	435.101897	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+H+Na"	23.996494
"1463682"	153.032797	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H+Na"	23.996494
"1061305"	102.357623333333	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2H+Na"	25.00377
"1266262"	315.102586	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+CH3OH+H"	33.033486
"387023"	603.101358	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+K"	38.963158
"753485"	885.170458	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+K"	38.963158
"1552985"	321.032258	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+K"	38.963158
"309432"	302.054317	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+H+K"	39.970434
"701854"	443.088867	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+H+K"	39.970434
"1459689"	161.019767	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H+K"	39.970434
"249745"	606.172026	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+ACN+H"	42.033826
"1223185"	324.102926	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+ACN+H"	42.033826
"1203057"	162.555101	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+ACN+2H"	43.041102
"201031"	609.10936	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+2Na-H"	44.97116
"638769"	891.17846	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+2Na-H"	44.97116
"1144461"	327.04026	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2Na-H"	44.97116
"185927"	305.058318	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+2Na"	45.978436
"626219"	446.092868	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+2Na"	45.978436
"1128263"	164.023768	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2Na"	45.978436
"1409965"	109.684937333333	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H+2Na"	46.985712
"1436249"	329.081846	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H+HCOOH"	47.012746
"226314"	310.09134	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+3H2O+2H"	56.04448
"1516565"	343.13389	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+IsoProp+H"	61.06479
"415158"	313.045288	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+Na+K"	61.952376
"776152"	454.079838	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+Na+K"	61.952376
"1677955"	172.010738	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Na+K"	61.952376
"265207"	628.153968	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+ACN+Na"	64.015768
"1240891"	346.084868	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+ACN+Na"	64.015768
"1727909"	346.108393	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+NH4+HCOOH"	64.039293
"1192532"	117.012251333333	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+3Na"	68.967654
"1663521"	351.063788	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Na+HCOOH"	68.994688
"167832"	641.05724	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+2K-H"	76.91904
"610673"	923.12634	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+2K-H"	76.91904
"1093364"	358.98814	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2K-H"	76.91904
"147993"	321.032258	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"2M+2K"	77.926316
"596671"	462.066808	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"3M+2K"	77.926316
"1083613"	179.997708	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2K"	77.926316
"1110743"	361.002692	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2K+H"	78.933592
"1350168"	361.090307	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+DMSO+H"	79.021207
"1012375"	365.129476	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2ACN+H"	83.060376
"1527220"	366.123108	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+IsoProp+Na+H"	84.054008
"992573"	183.068376	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+2ACN+2H"	84.067652
"1595827"	367.037728	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+K+HCOOH"	84.968628
"1424765"	397.069238	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+H+CF3COOH"	115.000138
"1161249"	203.581651	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+3ACN+2H"	125.094202
"1704602"	414.095785	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+NH4+CF3COOH"	132.026685
"1638066"	419.05118	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+Na+CF3COOH"	136.98208
"1579188"	435.02512	"C15452"	"44-Diaminostilbene dihydrochloride"	"C14H14N22HCl"	"282.0691"	"M+K+CF3COOH"	152.95602
"809552"	298.1569	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M"	0
"983088"	279.13851	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-H2O-H"	-19.01839
"66955"	197.763990666667	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M-3H"	-3.021828
"513076"	297.149624	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M-3H"	-3.021828
"890878"	98.3783573333333	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-3H"	-3.021828
"8361"	297.149624	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M-2H"	-2.014552
"452661"	446.228074	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M-2H"	-2.014552
"826817"	148.071174	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-2H"	-2.014552
"87901"	595.306524	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M-H"	-1.007276
"529654"	893.463424	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M-H"	-1.007276
"909767"	297.149624	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-H"	-1.007276
"51989"	612.333071	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M-2H+NH4"	16.019271
"501637"	910.489971	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M-2H+NH4"	16.019271
"874820"	314.176171	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-2H+NH4"	16.019271
"40534"	617.288466	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M-2H+Na"	20.974666
"484476"	915.445366	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M-2H+Na"	20.974666
"863896"	319.131566	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-2H+Na"	20.974666
"1629261"	319.131566	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Na-2H"	20.974666
"106154"	315.137963	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M-H+Cl"	33.962126
"547539"	464.216413	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M-H+Cl"	33.962126
"935951"	166.059513	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-H+Cl"	33.962126
"279975"	631.283202	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+Cl"	34.969402
"675153"	929.440102	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+Cl"	34.969402
"1286989"	333.126302	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Cl"	34.969402
"27360"	633.262406	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M-2H+K"	36.948606
"468013"	931.419306	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M-2H+K"	36.948606
"846910"	335.105506	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-2H+K"	36.948606
"1570037"	335.105506	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+K-2H"	36.948606
"955732"	343.155094	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-H+HCOOH"	44.998194
"374311"	641.312001	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+HCOOH-H"	44.998201
"356738"	655.327651	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+Hac-H"	59.013851
"1503749"	357.170751	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Hac-H"	59.013851
"968006"	365.137051	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-H+NaCOOH"	66.980151
"123475"	333.126302	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+2Cl"	69.938804
"564615"	482.204752	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+2Cl"	69.938804
"1030739"	184.047852	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2Cl"	69.938804
"1249225"	377.075785	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Br"	78.918885
"1314954"	379.131772	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Cl+HCOOH"	80.974872
"1326982"	401.113729	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Cl+NaCOOH"	102.956829
"919134"	411.142486	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M-H+CF3COOH"	112.985586
"1291831"	447.119164	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Cl+CF3COOH"	148.962264
"1372915"	263.144224	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H-2H2O"	-35.012676
"1391504"	281.1542	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H-H2O"	-17.0027
"292282"	597.321076	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+H"	1.007276
"682517"	895.477976	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+H"	1.007276
"1361055"	299.164176	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H"	1.007276
"135036"	299.164176	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+2H"	2.014552
"571318"	448.242626	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+2H"	2.014552
"1043397"	150.085726	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2H"	2.014552
"212392"	199.778542666667	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+3H"	3.021828
"651952"	299.164176	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+3H"	3.021828
"1170077"	100.392909333333	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+3H"	3.021828
"430798"	614.347623	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+NH4"	18.033823
"795439"	912.504523	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+NH4"	18.033823
"1691772"	316.190723	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+NH4"	18.033823
"341152"	307.6774495	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+H+NH4"	19.041099
"736853"	456.7558995	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+H+NH4"	19.041099
"1490674"	158.5989995	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H+NH4"	19.041099
"407169"	619.303018	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+Na"	22.989218
"767070"	917.459918	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+Na"	22.989218
"1608605"	321.146118	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Na"	22.989218
"320827"	310.155147	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+H+Na"	23.996494
"713252"	459.233597	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+H+Na"	23.996494
"1462820"	161.076697	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H+Na"	23.996494
"1061415"	107.720223333333	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2H+Na"	25.00377
"1266374"	331.190386	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+CH3OH+H"	33.033486
"387134"	635.276958	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+K"	38.963158
"754048"	933.433858	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+K"	38.963158
"1553460"	337.120058	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+K"	38.963158
"310635"	318.142117	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+H+K"	39.970434
"700870"	467.220567	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+H+K"	39.970434
"1454691"	169.063667	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H+K"	39.970434
"247667"	638.347626	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+ACN+H"	42.033826
"1223659"	340.190726	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+ACN+H"	42.033826
"1205351"	170.599001	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+ACN+2H"	43.041102
"201142"	641.28496	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+2Na-H"	44.97116
"639972"	939.44186	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+2Na-H"	44.97116
"1144570"	343.12806	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2Na-H"	44.97116
"186402"	321.146118	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+2Na"	45.978436
"624869"	470.224568	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+2Na"	45.978436
"1126550"	172.067668	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2Na"	45.978436
"1407889"	115.047537333333	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H+2Na"	46.985712
"1437817"	345.169646	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H+HCOOH"	47.012746
"226424"	326.17914	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+3H2O+2H"	56.04448
"1513395"	359.22169	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+IsoProp+H"	61.06479
"414175"	329.133088	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+Na+K"	61.952376
"776262"	478.211538	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+Na+K"	61.952376
"1678065"	180.054638	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Na+K"	61.952376
"266050"	660.329568	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+ACN+Na"	64.015768
"1240226"	362.172668	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+ACN+Na"	64.015768
"1727896"	362.196193	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+NH4+HCOOH"	64.039293
"1193251"	122.374851333333	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+3Na"	68.967654
"1662902"	367.151588	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Na+HCOOH"	68.994688
"168671"	673.23284	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+2K-H"	76.91904
"611998"	971.38974	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+2K-H"	76.91904
"1096751"	375.07594	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2K-H"	76.91904
"155881"	337.120058	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"2M+2K"	77.926316
"595564"	486.198508	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"3M+2K"	77.926316
"1082020"	188.041608	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2K"	77.926316
"1113405"	377.090492	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2K+H"	78.933592
"1348332"	377.178107	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+DMSO+H"	79.021207
"1011391"	381.217276	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2ACN+H"	83.060376
"1528424"	382.210908	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+IsoProp+Na+H"	84.054008
"992683"	191.112276	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+2ACN+2H"	84.067652
"1593748"	383.125528	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+K+HCOOH"	84.968628
"1423783"	413.157038	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+H+CF3COOH"	115.000138
"1162207"	211.625551	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+3ACN+2H"	125.094202
"1704712"	430.183585	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+NH4+CF3COOH"	132.026685
"1637447"	435.13898	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+Na+CF3COOH"	136.98208
"1579298"	451.11292	"C15453"	"Doisynoestrol;cis-1-Ethyl-1234-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid"	"C19H22O3"	"298.1569"	"M+K+CF3COOH"	152.95602
"816105"	284.1776	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M"	0
"982106"	265.15921	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-H2O-H"	-19.01839
"69253"	188.444457333333	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M-3H"	-3.021828
"506627"	283.170324	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M-3H"	-3.021828
"892083"	93.7185906666667	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-3H"	-3.021828
"5191"	283.170324	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M-2H"	-2.014552
"455285"	425.259124	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M-2H"	-2.014552
"826927"	141.081524	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-2H"	-2.014552
"88011"	567.347924	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M-H"	-1.007276
"523203"	851.525524	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M-H"	-1.007276
"907567"	283.170324	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-H"	-1.007276
"56473"	584.374471	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M-2H+NH4"	16.019271
"499316"	868.552071	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M-2H+NH4"	16.019271
"874930"	300.196871	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-2H+NH4"	16.019271
"39551"	589.329866	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M-2H+Na"	20.974666
"485678"	873.507466	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M-2H+Na"	20.974666
"861291"	305.152266	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-2H+Na"	20.974666
"1629736"	305.152266	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Na-2H"	20.974666
"105171"	301.158663	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M-H+Cl"	33.962126
"548377"	443.247463	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M-H+Cl"	33.962126
"939342"	159.069863	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-H+Cl"	33.962126
"280451"	603.324602	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+Cl"	34.969402
"675180"	887.502202	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+Cl"	34.969402
"1285642"	319.147002	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Cl"	34.969402
"27470"	605.303806	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M-2H+K"	36.948606
"467030"	889.481406	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M-2H+K"	36.948606
"848116"	321.126206	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-2H+K"	36.948606
"1565041"	321.126206	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+K-2H"	36.948606
"955478"	329.175794	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-H+HCOOH"	44.998194
"374786"	613.353401	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+HCOOH-H"	44.998201
"357210"	627.369051	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+Hac-H"	59.013851
"1504952"	343.191451	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Hac-H"	59.013851
"968116"	351.157751	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-H+NaCOOH"	66.980151
"121397"	319.147002	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+2Cl"	69.938804
"565087"	461.235802	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+2Cl"	69.938804
"1028662"	177.058202	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2Cl"	69.938804
"1248242"	363.096485	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Br"	78.918885
"1315064"	365.152472	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Cl+HCOOH"	80.974872
"1327092"	387.134429	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Cl+NaCOOH"	102.956829
"922524"	397.163186	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M-H+CF3COOH"	112.985586
"1293764"	433.139864	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Cl+CF3COOH"	148.962264
"1375211"	249.164924	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H-2H2O"	-35.012676
"1390521"	267.1749	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H-H2O"	-17.0027
"292392"	569.362476	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+H"	1.007276
"682627"	853.540076	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+H"	1.007276
"1363352"	285.184876	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H"	1.007276
"137333"	285.184876	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+2H"	2.014552
"572522"	427.273676	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+2H"	2.014552
"1048974"	143.096076	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2H"	2.014552
"215782"	190.459009333333	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+3H"	3.021828
"655343"	285.184876	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+3H"	3.021828
"1170188"	95.7331426666667	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+3H"	3.021828
"430544"	586.389023	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+NH4"	18.033823
"793363"	870.566623	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+NH4"	18.033823
"1684587"	302.211423	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+NH4"	18.033823
"341258"	293.6981495	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+H+NH4"	19.041099
"734775"	435.7869495	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+H+NH4"	19.041099
"1490784"	151.6093495	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H+NH4"	19.041099
"405092"	591.344418	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+Na"	22.989218
"762806"	875.522018	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+Na"	22.989218
"1610902"	307.166818	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Na"	22.989218
"320938"	296.175847	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+H+Na"	23.996494
"708137"	438.264647	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+H+Na"	23.996494
"1464997"	154.087047	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H+Na"	23.996494
"1062617"	103.060456666667	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2H+Na"	25.00377
"1264295"	317.211086	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+CH3OH+H"	33.033486
"386151"	607.318358	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+K"	38.963158
"753341"	891.495958	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+K"	38.963158
"1553571"	323.140758	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+K"	38.963158
"312569"	304.162817	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+H+K"	39.970434
"697700"	446.251617	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+H+K"	39.970434
"1454801"	162.074017	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H+K"	39.970434
"248506"	610.389026	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+ACN+H"	42.033826
"1224133"	326.211426	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+ACN+H"	42.033826
"1203275"	163.609351	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+ACN+2H"	43.041102
"200523"	613.32636	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+2Na-H"	44.97116
"640081"	897.50396	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+2Na-H"	44.97116
"1144316"	329.14876	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2Na-H"	44.97116
"182504"	307.166818	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+2Na"	45.978436
"623155"	449.255618	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+2Na"	45.978436
"1124473"	165.078018	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2Na"	45.978436
"1405813"	110.387770666667	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H+2Na"	46.985712
"1436105"	331.190346	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H+HCOOH"	47.012746
"226533"	312.19984	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+3H2O+2H"	56.04448
"1512412"	345.24239	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+IsoProp+H"	61.06479
"410276"	315.153788	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+Na+K"	61.952376
"773092"	457.242588	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+Na+K"	61.952376
"1677081"	173.064988	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Na+K"	61.952376
"266727"	632.370968	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+ACN+Na"	64.015768
"1238499"	348.193368	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+ACN+Na"	64.015768
"1726665"	348.216893	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+NH4+HCOOH"	64.039293
"1191288"	117.715084666667	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+3Na"	68.967654
"1663012"	353.172288	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Na+HCOOH"	68.994688
"170239"	645.27424	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+2K-H"	76.91904
"611256"	929.45184	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+2K-H"	76.91904
"1096861"	361.09664	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2K-H"	76.91904
"152581"	323.140758	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"2M+2K"	77.926316
"591054"	465.229558	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"3M+2K"	77.926316
"1075566"	181.051958	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2K"	77.926316
"1115341"	363.111192	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2K+H"	78.933592
"1350998"	363.198807	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+DMSO+H"	79.021207
"1011501"	367.237976	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2ACN+H"	83.060376
"1526348"	368.231608	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+IsoProp+Na+H"	84.054008
"994980"	184.122626	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+2ACN+2H"	84.067652
"1593859"	369.146228	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+K+HCOOH"	84.968628
"1422798"	399.177738	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+H+CF3COOH"	115.000138
"1161830"	204.635901	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+3ACN+2H"	125.094202
"1707009"	416.204285	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+NH4+CF3COOH"	132.026685
"1637557"	421.15968	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+Na+CF3COOH"	136.98208
"1579408"	437.13362	"C15454"	"Hexestrol monomethyl ether;(RS)-4-1-Ethyl-2-(4-methoxyphenyl)butylphenol"	"C19H24O2"	"284.1776"	"M+K+CF3COOH"	152.95602
"809772"	207.8646	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M"	0
"983309"	188.84621	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-H2O-H"	-19.01839
"69363"	137.569124	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M-3H"	-3.021828
"506737"	206.857324	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M-3H"	-3.021828
"890006"	68.280924	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-3H"	-3.021828
"5301"	206.857324	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M-2H"	-2.014552
"454464"	310.789624	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M-2H"	-2.014552
"831781"	102.925024	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-2H"	-2.014552
"88121"	414.721924	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M-H"	-1.007276
"524406"	622.586524	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M-H"	-1.007276
"904397"	206.857324	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-H"	-1.007276
"54396"	431.748471	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M-2H+NH4"	16.019271
"493959"	639.613071	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M-2H+NH4"	16.019271
"871760"	223.883871	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-2H+NH4"	16.019271
"36745"	436.703866	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M-2H+Na"	20.974666
"485669"	644.568466	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M-2H+Na"	20.974666
"858121"	228.839266	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-2H+Na"	20.974666
"1626567"	228.839266	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Na-2H"	20.974666
"105281"	224.845663	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M-H+Cl"	33.962126
"545936"	328.777963	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M-H+Cl"	33.962126
"937265"	120.913363	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-H+Cl"	33.962126
"281655"	450.698602	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+Cl"	34.969402
"674924"	658.563202	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+Cl"	34.969402
"1286117"	242.834002	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Cl"	34.969402
"27580"	452.677806	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M-2H+K"	36.948606
"467140"	660.542406	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M-2H+K"	36.948606
"846037"	244.813206	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-2H+K"	36.948606
"1565151"	244.813206	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+K-2H"	36.948606
"955223"	252.862794	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-H+HCOOH"	44.998194
"374167"	460.727401	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+HCOOH-H"	44.998201
"356229"	474.743051	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+Hac-H"	59.013851
"1502874"	266.878451	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Hac-H"	59.013851
"969320"	274.844751	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-H+NaCOOH"	66.980151
"121507"	242.834002	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+2Cl"	69.938804
"562159"	346.766302	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+2Cl"	69.938804
"1034968"	138.901702	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2Cl"	69.938804
"1251631"	286.783485	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Br"	78.918885
"1312987"	288.839472	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Cl+HCOOH"	80.974872
"1323922"	310.821429	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Cl+NaCOOH"	102.956829
"919354"	320.850186	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M-H+CF3COOH"	112.985586
"1289864"	356.826864	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Cl+CF3COOH"	148.962264
"1376414"	172.851924	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H-2H2O"	-35.012676
"1392817"	190.8619	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H-H2O"	-17.0027
"291409"	416.736476	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+H"	1.007276
"682737"	624.601076	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+H"	1.007276
"1362367"	208.871876	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H"	1.007276
"137443"	208.871876	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+2H"	2.014552
"578097"	312.804176	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+2H"	2.014552
"1047993"	104.939576	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2H"	2.014552
"214798"	139.583676	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+3H"	3.021828
"657519"	208.871876	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+3H"	3.021828
"1170663"	70.295476	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+3H"	3.021828
"429560"	433.763023	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+NH4"	18.033823
"793473"	641.627623	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+NH4"	18.033823
"1685790"	225.898423	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+NH4"	18.033823
"340269"	217.3851495	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+H+NH4"	19.041099
"733789"	321.3174495	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+H+NH4"	19.041099
"1488708"	113.4528495	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H+NH4"	19.041099
"405202"	438.718418	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+Na"	22.989218
"766196"	646.583018	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+Na"	22.989218
"1608826"	230.853818	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Na"	22.989218
"319954"	219.862847	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+H+Na"	23.996494
"709098"	323.795147	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+H+Na"	23.996494
"1464014"	115.930547	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H+Na"	23.996494
"1058354"	77.62279	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2H+Na"	25.00377
"1261125"	240.898086	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+CH3OH+H"	33.033486
"382982"	454.692358	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+K"	38.963158
"747256"	662.556958	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+K"	38.963158
"1552587"	246.827758	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+K"	38.963158
"311951"	227.849817	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+H+K"	39.970434
"702185"	331.782117	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+H+K"	39.970434
"1458191"	123.917517	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H+K"	39.970434
"248980"	457.763026	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+ACN+H"	42.033826
"1221691"	249.898426	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+ACN+H"	42.033826
"1206302"	125.452851	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+ACN+2H"	43.041102
"199903"	460.70036	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+2Na-H"	44.97116
"639098"	668.56496	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+2Na-H"	44.97116
"1144063"	252.83576	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2Na-H"	44.97116
"185166"	230.853818	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+2Na"	45.978436
"621081"	334.786118	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+2Na"	45.978436
"1125677"	126.921518	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2Na"	45.978436
"1407015"	84.950104	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H+2Na"	46.985712
"1439133"	254.877346	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H+HCOOH"	47.012746
"226641"	235.88684	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+3H2O+2H"	56.04448
"1513246"	268.92939	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+IsoProp+H"	61.06479
"415487"	238.840788	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+Na+K"	61.952376
"774295"	342.773088	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+Na+K"	61.952376
"1678284"	134.908488	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Na+K"	61.952376
"266148"	479.744968	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+ACN+Na"	64.015768
"1237881"	271.880368	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+ACN+Na"	64.015768
"1726044"	271.903893	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+NH4+HCOOH"	64.039293
"1190302"	92.277418	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+3Na"	68.967654
"1662757"	276.859288	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Na+HCOOH"	68.994688
"169621"	492.64824	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+2K-H"	76.91904
"610638"	700.51284	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+2K-H"	76.91904
"1096972"	284.78364	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2K-H"	76.91904
"153057"	246.827758	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"2M+2K"	77.926316
"593352"	350.760058	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"3M+2K"	77.926316
"1075676"	142.895458	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2K"	77.926316
"1114966"	286.798192	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2K+H"	78.933592
"1349647"	286.885807	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+DMSO+H"	79.021207
"1009423"	290.924976	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2ACN+H"	83.060376
"1526458"	291.918608	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+IsoProp+Na+H"	84.054008
"995090"	145.966126	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+2ACN+2H"	84.067652
"1590690"	292.833228	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+K+HCOOH"	84.968628
"1421816"	322.864738	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+H+CF3COOH"	115.000138
"1160726"	166.479401	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+3ACN+2H"	125.094202
"1707119"	339.891285	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+NH4+CF3COOH"	132.026685
"1637303"	344.84668	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+Na+CF3COOH"	136.98208
"1579518"	360.82062	"C15455"	"Sodium molybdate;Sodium molybdate(VI)"	"Na2MoO4"	"207.8646"	"M+K+CF3COOH"	152.95602
"809882"	316.1675	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M"	0
"983419"	297.14911	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-H2O-H"	-19.01839
"69473"	209.771057333333	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M-3H"	-3.021828
"506847"	315.160224	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M-3H"	-3.021828
"891209"	104.381890666667	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-3H"	-3.021828
"5411"	315.160224	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M-2H"	-2.014552
"455265"	473.243974	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M-2H"	-2.014552
"831892"	157.076474	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-2H"	-2.014552
"89325"	631.327724	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M-H"	-1.007276
"527795"	947.495224	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M-H"	-1.007276
"904506"	315.160224	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-H"	-1.007276
"52319"	648.354271	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M-2H+NH4"	16.019271
"494433"	964.521771	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M-2H+NH4"	16.019271
"864942"	332.186771	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-2H+NH4"	16.019271
"36491"	653.309666	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M-2H+Na"	20.974666
"485050"	969.477166	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M-2H+Na"	20.974666
"858231"	337.142166	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-2H+Na"	20.974666
"1627769"	337.142166	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Na-2H"	20.974666
"103204"	333.148563	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M-H+Cl"	33.962126
"544953"	491.232313	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M-H+Cl"	33.962126
"935188"	175.064813	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-H+Cl"	33.962126
"279211"	667.304402	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+Cl"	34.969402
"673818"	983.471902	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+Cl"	34.969402
"1285862"	351.136902	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Cl"	34.969402
"28420"	669.283606	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M-2H+K"	36.948606
"466157"	985.451106	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M-2H+K"	36.948606
"846513"	353.116106	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-2H+K"	36.948606
"1567448"	353.116106	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+K-2H"	36.948606
"955331"	361.165694	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-H+HCOOH"	44.998194
"374277"	677.333201	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+HCOOH-H"	44.998201
"358524"	691.348851	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+Hac-H"	59.013851
"1502984"	375.181351	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Hac-H"	59.013851
"971982"	383.147651	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-H+NaCOOH"	66.980151
"121617"	351.136902	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+2Cl"	69.938804
"558989"	509.220652	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+2Cl"	69.938804
"1032162"	193.053152	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2Cl"	69.938804
"1248461"	395.086385	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Br"	78.918885
"1312004"	397.142372	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Cl+HCOOH"	80.974872
"1322939"	419.124329	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Cl+NaCOOH"	102.956829
"918371"	429.153086	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M-H+CF3COOH"	112.985586
"1291797"	465.129764	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Cl+CF3COOH"	148.962264
"1374338"	281.154824	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H-2H2O"	-35.012676
"1392927"	299.1648	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H-H2O"	-17.0027
"293706"	633.342276	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+H"	1.007276
"682847"	949.509776	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+H"	1.007276
"1360290"	317.174776	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H"	1.007276
"136460"	317.174776	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+2H"	2.014552
"579301"	475.258526	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+2H"	2.014552
"1050287"	159.091026	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2H"	2.014552
"212722"	211.785609333333	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+3H"	3.021828
"652282"	317.174776	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+3H"	3.021828
"1170407"	106.396442666667	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+3H"	3.021828
"428576"	650.368823	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+NH4"	18.033823
"793582"	966.536323	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+NH4"	18.033823
"1685901"	334.201323	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+NH4"	18.033823
"338192"	325.6880495	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+H+NH4"	19.041099
"734992"	483.7717995	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+H+NH4"	19.041099
"1488818"	167.6042995	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H+NH4"	19.041099
"403126"	655.324218	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+Na"	22.989218
"766306"	971.491718	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+Na"	22.989218
"1608937"	339.156718	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Na"	22.989218
"321158"	328.165747	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+H+Na"	23.996494
"711394"	486.249497	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+H+Na"	23.996494
"1465217"	170.081997	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H+Na"	23.996494
"1057371"	113.723756666667	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2H+Na"	25.00377
"1260142"	349.200986	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+CH3OH+H"	33.033486
"384185"	671.298158	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+K"	38.963158
"747367"	987.465658	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+K"	38.963158
"1550511"	355.130658	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+K"	38.963158
"310604"	336.152717	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+H+K"	39.970434
"702295"	494.236467	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+H+K"	39.970434
"1457937"	178.068967	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H+K"	39.970434
"249455"	674.368826	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+ACN+H"	42.033826
"1220707"	358.201326	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+ACN+H"	42.033826
"1205319"	179.604301	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+ACN+2H"	43.041102
"200741"	677.30616	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+2Na-H"	44.97116
"639937"	993.47366	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+2Na-H"	44.97116
"1143807"	361.13866	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2Na-H"	44.97116
"182725"	339.156718	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+2Na"	45.978436
"622285"	497.240468	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+2Na"	45.978436
"1122872"	181.072968	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2Na"	45.978436
"1407856"	121.051070666667	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H+2Na"	46.985712
"1439243"	363.180246	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H+HCOOH"	47.012746
"226751"	344.18974	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+3H2O+2H"	56.04448
"1512629"	377.23229	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+IsoProp+H"	61.06479
"415597"	347.143688	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+Na+K"	61.952376
"773312"	505.227438	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+Na+K"	61.952376
"1678395"	189.059938	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Na+K"	61.952376
"265161"	696.350768	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+ACN+Na"	64.015768
"1237991"	380.183268	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+ACN+Na"	64.015768
"1727496"	380.206793	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+NH4+HCOOH"	64.039293
"1191870"	128.378384666667	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+3Na"	68.967654
"1662862"	385.162188	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Na+HCOOH"	68.994688
"169730"	709.25404	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+2K-H"	76.91904
"610018"	1025.42154	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+2K-H"	76.91904
"1097810"	393.08654	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2K-H"	76.91904
"154625"	355.130658	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"2M+2K"	77.926316
"591274"	513.214408	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"3M+2K"	77.926316
"1082348"	197.046908	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2K"	77.926316
"1114835"	395.101092	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2K+H"	78.933592
"1350734"	395.188707	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+DMSO+H"	79.021207
"1007347"	399.227876	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2ACN+H"	83.060376
"1526568"	400.221508	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+IsoProp+Na+H"	84.054008
"994107"	200.117576	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+2ACN+2H"	84.067652
"1591891"	401.136128	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+K+HCOOH"	84.968628
"1421926"	431.167638	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+H+CF3COOH"	115.000138
"1161930"	220.630851	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+3ACN+2H"	125.094202
"1707229"	448.194185	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+NH4+CF3COOH"	132.026685
"1635590"	453.14958	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+Na+CF3COOH"	136.98208
"1579628"	469.12352	"C15456"	"11beta13-Dihydroxy-3-oxo-1317-secoandrosta-14-dien-17-oic acid delta-lactone"	"C19H24O4"	"316.1675"	"M+K+CF3COOH"	152.95602
"809992"	271.0845	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M"	0
"989283"	252.06611	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-H2O-H"	-19.01839
"69584"	179.715724	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M-3H"	-3.021828
"510238"	270.077224	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M-3H"	-3.021828
"893143"	89.354224	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-3H"	-3.021828
"12082"	270.077224	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M-2H"	-2.014552
"455293"	405.619474	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M-2H"	-2.014552
"832243"	134.534974	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-2H"	-2.014552
"91259"	541.161724	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M-H"	-1.007276
"533010"	812.246224	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M-H"	-1.007276
"901336"	270.077224	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-H"	-1.007276
"56802"	558.188271	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M-2H+NH4"	16.019271
"495271"	829.272771	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M-2H+NH4"	16.019271
"865052"	287.103771	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-2H+NH4"	16.019271
"36602"	563.143666	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M-2H+Na"	20.974666
"484187"	834.228166	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M-2H+Na"	20.974666
"860528"	292.059166	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-2H+Na"	20.974666
"1630064"	292.059166	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Na-2H"	20.974666
"105500"	288.065563	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M-H+Cl"	33.962126
"546155"	423.607813	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M-H+Cl"	33.962126
"937486"	152.523313	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-H+Cl"	33.962126
"279322"	577.138402	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+Cl"	34.969402
"673203"	848.222902	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+Cl"	34.969402
"1285609"	306.053902	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Cl"	34.969402
"27801"	579.117606	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M-2H+K"	36.948606
"467361"	850.202106	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M-2H+K"	36.948606
"846624"	308.033106	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-2H+K"	36.948606
"1569745"	308.033106	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+K-2H"	36.948606
"956535"	316.082694	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-H+HCOOH"	44.998194
"373294"	587.167201	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+HCOOH-H"	44.998201
"359366"	601.182851	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+Hac-H"	59.013851
"1503098"	330.098351	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Hac-H"	59.013851
"970271"	338.064651	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-H+NaCOOH"	66.980151
"123914"	306.053902	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+2Cl"	69.938804
"564567"	441.596152	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+2Cl"	69.938804
"1031178"	170.511652	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2Cl"	69.938804
"1248571"	350.003385	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Br"	78.918885
"1312114"	352.059372	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Cl+HCOOH"	80.974872
"1324142"	374.041329	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Cl+NaCOOH"	102.956829
"919574"	384.070086	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M-H+CF3COOH"	112.985586
"1293003"	420.046764	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Cl+CF3COOH"	148.962264
"1375542"	236.071824	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H-2H2O"	-35.012676
"1393039"	254.0818	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H-H2O"	-17.0027
"292724"	543.176276	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+H"	1.007276
"684051"	814.260776	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+H"	1.007276
"1358214"	272.091776	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H"	1.007276
"137663"	272.091776	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+2H"	2.014552
"579411"	407.634026	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+2H"	2.014552
"1048210"	136.549526	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2H"	2.014552
"212832"	181.730276	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+3H"	3.021828
"651298"	272.091776	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+3H"	3.021828
"1171610"	91.368776	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+3H"	3.021828
"428319"	560.202823	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+NH4"	18.033823
"789682"	831.287323	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+NH4"	18.033823
"1684553"	289.118323	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+NH4"	18.033823
"336114"	280.6050495	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+H+NH4"	19.041099
"735102"	416.1472995	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+H+NH4"	19.041099
"1488563"	145.0627995	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H+NH4"	19.041099
"404329"	565.158218	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+Na"	22.989218
"767515"	836.242718	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+Na"	22.989218
"1612328"	294.073718	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Na"	22.989218
"323455"	283.082747	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+H+Na"	23.996494
"713692"	418.624997	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+H+Na"	23.996494
"1466421"	147.540497	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H+Na"	23.996494
"1057481"	98.69609	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2H+Na"	25.00377
"1263532"	304.117986	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+CH3OH+H"	33.033486
"383201"	581.132158	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+K"	38.963158
"748570"	852.216658	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+K"	38.963158
"1553173"	310.047658	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+K"	38.963158
"310714"	291.069717	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+H+K"	39.970434
"702405"	426.611967	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+H+K"	39.970434
"1457319"	155.527467	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H+K"	39.970434
"249201"	584.202826	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+ACN+H"	42.033826
"1220818"	313.118326	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+ACN+H"	42.033826
"1205429"	157.062801	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+ACN+2H"	43.041102
"200487"	587.14016	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+2Na-H"	44.97116
"639318"	858.22466	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+2Na-H"	44.97116
"1143917"	316.05566	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2Na-H"	44.97116
"182835"	294.073718	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+2Na"	45.978436
"623486"	429.615968	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+2Na"	45.978436
"1122618"	158.531468	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2Na"	45.978436
"1405049"	106.023404	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H+2Na"	46.985712
"1439353"	318.097246	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H+HCOOH"	47.012746
"225768"	299.10674	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+3H2O+2H"	56.04448
"1512739"	332.14929	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+IsoProp+H"	61.06479
"414614"	302.060688	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+Na+K"	61.952376
"773422"	437.602938	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+Na+K"	61.952376
"1679356"	166.518438	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Na+K"	61.952376
"266851"	606.184768	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+ACN+Na"	64.015768
"1239560"	335.100268	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+ACN+Na"	64.015768
"1726631"	335.123793	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+NH4+HCOOH"	64.039293
"1191618"	113.350718	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+3Na"	68.967654
"1660057"	340.079188	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Na+HCOOH"	68.994688
"171173"	619.08804	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+2K-H"	76.91904
"611826"	890.17254	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+2K-H"	76.91904
"1097189"	348.00354	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2K-H"	76.91904
"155100"	310.047658	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"2M+2K"	77.926316
"594665"	445.589908	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"3M+2K"	77.926316
"1082460"	174.505408	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2K"	77.926316
"1114214"	350.018092	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2K+H"	78.933592
"1350355"	350.105707	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+DMSO+H"	79.021207
"1009644"	354.144876	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2ACN+H"	83.060376
"1525582"	355.138508	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+IsoProp+Na+H"	84.054008
"996406"	177.576076	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+2ACN+2H"	84.067652
"1590911"	356.053128	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+K+HCOOH"	84.968628
"1423131"	386.084638	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+H+CF3COOH"	115.000138
"1159974"	198.089351	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+3ACN+2H"	125.094202
"1708432"	403.111185	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+NH4+CF3COOH"	132.026685
"1636793"	408.06658	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+Na+CF3COOH"	136.98208
"1579738"	424.04052	"C15457"	"trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane;trans-4-Methoxy-4-nitrostilbene oxide"	"C15H13NO4"	"271.0845"	"M+K+CF3COOH"	152.95602
"810102"	333.1729	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M"	0
"989312"	314.15451	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-H2O-H"	-19.01839
"66414"	221.107990666667	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M-3H"	-3.021828
"507068"	332.165624	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M-3H"	-3.021828
"888150"	110.050357333333	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-3H"	-3.021828
"8912"	332.165624	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M-2H"	-2.014552
"455488"	498.752074	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M-2H"	-2.014552
"831990"	165.579174	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-2H"	-2.014552
"90638"	665.338524	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M-H"	-1.007276
"532025"	998.511424	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M-H"	-1.007276
"904726"	332.165624	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-H"	-1.007276
"56912"	682.365071	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M-2H+NH4"	16.019271
"497568"	1015.537971	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M-2H+NH4"	16.019271
"872089"	349.192171	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-2H+NH4"	16.019271
"39992"	687.320466	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M-2H+Na"	20.974666
"483930"	1020.493366	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M-2H+Na"	20.974666
"857358"	354.147566	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-2H+Na"	20.974666
"1629080"	354.147566	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Na-2H"	20.974666
"107795"	350.153963	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M-H+Cl"	33.962126
"546263"	516.740413	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M-H+Cl"	33.962126
"940873"	183.567513	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-H+Cl"	33.962126
"280527"	701.315202	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+Cl"	34.969402
"674405"	1034.488102	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+Cl"	34.969402
"1283166"	368.142302	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Cl"	34.969402
"23537"	703.294406	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M-2H+K"	36.948606
"464190"	1036.467306	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M-2H+K"	36.948606
"846003"	370.121506	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-2H+K"	36.948606
"1563295"	370.121506	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+K-2H"	36.948606
"957374"	378.171094	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-H+HCOOH"	44.998194
"374133"	711.344001	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+HCOOH-H"	44.998201
"359353"	725.359651	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+Hac-H"	59.013851
"1503207"	392.186751	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Hac-H"	59.013851
"968557"	400.153051	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-H+NaCOOH"	66.980151
"122931"	368.142302	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+2Cl"	69.938804
"564560"	534.728752	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+2Cl"	69.938804
"1030195"	201.555852	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2Cl"	69.938804
"1248681"	412.091785	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Br"	78.918885
"1312224"	414.147772	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Cl+HCOOH"	80.974872
"1326439"	436.129729	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Cl+NaCOOH"	102.956829
"917498"	446.158486	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M-H+CF3COOH"	112.985586
"1289955"	482.135164	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Cl+CF3COOH"	148.962264
"1376746"	298.160224	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H-2H2O"	-35.012676
"1396429"	316.1702	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H-H2O"	-17.0027
"293928"	667.353076	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+H"	1.007276
"683068"	1000.525976	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+H"	1.007276
"1360511"	334.180176	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H"	1.007276
"136680"	334.180176	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+2H"	2.014552
"576241"	500.766626	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+2H"	2.014552
"1047227"	167.593726	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2H"	2.014552
"211484"	223.122542666667	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+3H"	3.021828
"652501"	334.180176	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+3H"	3.021828
"1171720"	112.064909333333	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+3H"	3.021828
"428064"	684.379623	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+NH4"	18.033823
"790520"	1017.552523	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+NH4"	18.033823
"1683934"	351.206723	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+NH4"	18.033823
"335131"	342.6934495	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+H+NH4"	19.041099
"734121"	509.2798995	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+H+NH4"	19.041099
"1489402"	176.1069995	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H+NH4"	19.041099
"404439"	689.335018	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+Na"	22.989218
"766530"	1022.507918	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+Na"	22.989218
"1611345"	356.162118	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Na"	22.989218
"320286"	345.171147	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+H+Na"	23.996494
"712708"	511.757597	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+H+Na"	23.996494
"1465436"	178.584697	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H+Na"	23.996494
"1058684"	119.392223333333	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2H+Na"	25.00377
"1262549"	366.206386	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+CH3OH+H"	33.033486
"384405"	705.308958	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+K"	38.963158
"748317"	1038.481858	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+K"	38.963158
"1548547"	372.136058	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+K"	38.963158
"309001"	353.158117	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+H+K"	39.970434
"701422"	519.744567	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+H+K"	39.970434
"1456336"	186.571667	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H+K"	39.970434
"246031"	708.379626	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+ACN+H"	42.033826
"1218740"	375.206726	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+ACN+H"	42.033826
"1202624"	188.107001	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+ACN+2H"	43.041102
"199868"	711.31696	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+2Na-H"	44.97116
"639427"	1044.48986	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+2Na-H"	44.97116
"1138560"	378.14406	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2Na-H"	44.97116
"177478"	356.162118	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+2Na"	45.978436
"620316"	522.748568	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+2Na"	45.978436
"1120542"	189.575668	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2Na"	45.978436
"1401878"	126.719537333333	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H+2Na"	46.985712
"1433994"	380.185646	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H+HCOOH"	47.012746
"225878"	361.19514	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+3H2O+2H"	56.04448
"1513942"	394.23769	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+IsoProp+H"	61.06479
"414724"	364.149088	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+Na+K"	61.952376
"773532"	530.735538	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+Na+K"	61.952376
"1677522"	197.562638	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Na+K"	61.952376
"265867"	730.361568	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+ACN+Na"	64.015768
"1239304"	397.188668	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+ACN+Na"	64.015768
"1726375"	397.212193	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+NH4+HCOOH"	64.039293
"1190634"	134.046851333333	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+3Na"	68.967654
"1660895"	402.167588	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Na+HCOOH"	68.994688
"172499"	743.26484	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+2K-H"	76.91904
"611815"	1076.43774	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+2K-H"	76.91904
"1097299"	410.09194	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2K-H"	76.91904
"154116"	372.136058	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"2M+2K"	77.926316
"590400"	538.722508	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"3M+2K"	77.926316
"1084115"	205.549608	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2K"	77.926316
"1115519"	412.106492	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2K+H"	78.933592
"1351277"	412.194107	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+DMSO+H"	79.021207
"1015224"	416.233276	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2ACN+H"	83.060376
"1527878"	417.226908	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+IsoProp+Na+H"	84.054008
"997610"	208.620276	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+2ACN+2H"	84.067652
"1594301"	418.141528	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+K+HCOOH"	84.968628
"1425428"	448.173038	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+H+CF3COOH"	115.000138
"1162272"	229.133551	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+3ACN+2H"	125.094202
"1708542"	465.199585	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+NH4+CF3COOH"	132.026685
"1636539"	470.15498	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+Na+CF3COOH"	136.98208
"1579848"	486.12892	"C15458"	"(alphaSbetaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol"	"C22H23NO2"	"333.1729"	"M+K+CF3COOH"	152.95602
"815680"	332.1988	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M"	0
"989582"	313.18041	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"76366"	220.458590666667	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"517751"	331.191524	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"895368"	109.725657333333	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"15583"	331.191524	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"455357"	497.290924	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"832636"	165.092124	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"93427"	663.390324	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"530313"	995.589124	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"899005"	331.191524	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"51922"	680.416871	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"495491"	1012.615671	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"871106"	348.218071	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"40102"	685.372266	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"480756"	1017.571066	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"860750"	353.173466	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1625912"	353.173466	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"106814"	349.179863	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"544188"	515.279263	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"942077"	183.080463	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"281245"	699.367002	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"673786"	1031.565802	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1287532"	367.168202	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"30575"	701.346206	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"471357"	1033.545006	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"844290"	369.147406	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1565591"	369.147406	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"953482"	377.196994	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"376065"	709.395801	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"357765"	723.411451	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1502223"	391.212651	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"970856"	399.178951	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"121951"	367.168202	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"565035"	533.267602	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1034681"	201.068802	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1252071"	411.117685	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1312334"	413.173672	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1328736"	435.155629	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"917608"	445.184386	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1291036"	481.161064	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1379778"	297.186124	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1397634"	315.1961	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"295133"	665.404876	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"688649"	997.603676	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1361716"	333.206076	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"133511"	333.206076	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"579633"	499.305476	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1049526"	167.106676	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"215239"	222.473142666667	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"655893"	333.206076	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1176207"	111.740209333333	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"437291"	682.431423	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"793912"	1014.630223	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1688056"	350.232623	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"338521"	341.7193495	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"732037"	507.8187495	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1485854"	175.6199495	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"407830"	687.386818	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"768100"	1019.585618	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1617414"	355.188018	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"322583"	344.197047	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"717190"	510.296447	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1469919"	178.097647	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1058794"	119.067523333333	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1265942"	365.232286	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"378927"	703.360758	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"748788"	1035.559558	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1554246"	371.161958	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"309478"	352.184017	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"706723"	518.283417	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1460462"	186.084617	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"250033"	706.431426	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1224892"	374.232626	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1205654"	187.619951	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"201805"	709.36876	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"641000"	1041.56756	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1137581"	377.16996	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"178682"	355.188018	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"618242"	521.287418	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1120287"	189.088618	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1401992"	126.394837333333	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1433012"	379.211546	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"223802"	360.22104	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1514052"	393.26359	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"421398"	363.174988	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"774737"	529.274388	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1677630"	197.075588	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"263058"	728.413368	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1240875"	396.214568	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1726118"	396.238093	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1191109"	133.722151333333	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1662098"	401.193488	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"171636"	741.31664	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"611561"	1073.51544	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1098017"	409.11784	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"155320"	371.161958	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"596228"	537.261358	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1083535"	205.062558	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1115478"	411.132392	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1350946"	411.220007	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1019955"	415.259176	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1529083"	416.252808	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"998814"	208.133226	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1597690"	417.167428	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1425538"	447.198938	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1160196"	228.646501	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1709745"	464.225485	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1637742"	469.18088	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1579958"	485.15482	"C15459"	"13-Hydroxy-2-(hydroxymethylene)-3-oxo-1317-seco-5alpha-androstan-17-oic acid delta-lactone"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"810322"	302.2246	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M"	0
"980576"	283.20621	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"75750"	200.475790666667	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"514943"	301.217324	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"892745"	99.7342573333333	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"12413"	301.217324	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"454162"	452.329624	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"829776"	150.105024	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"92685"	603.441924	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"533220"	905.666524	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"901667"	301.217324	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"52032"	620.468471	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"499975"	922.693071	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"874497"	318.243871	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"40212"	625.423866	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"480866"	927.648466	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"860860"	323.199266	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1626021"	323.199266	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"105830"	319.205663	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"547579"	470.317963	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"941095"	168.093363	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"280746"	639.418602	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"675314"	941.643202	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1281200"	337.194002	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"25946"	641.397806	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"466965"	943.622406	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"840026"	339.173206	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1565701"	339.173206	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"949944"	347.222794	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"370708"	649.447401	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"355688"	663.463051	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1497593"	361.238451	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"965861"	369.204751	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"119872"	337.194002	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"559429"	488.306302	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1033696"	186.081702	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1247805"	381.143485	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1309163"	383.199472	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1323378"	405.181429	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"917718"	415.210186	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1290053"	451.186864	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1381341"	267.211924	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1397016"	285.2219	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"297066"	605.456476	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"686574"	907.681076	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1364014"	303.231876	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"134714"	303.231876	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"573180"	454.344176	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1048541"	152.119576	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"214255"	202.490342666667	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"656002"	303.231876	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1173766"	101.748809333333	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"436308"	622.483023	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"794022"	924.707623	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1685979"	320.258423	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"339724"	311.7451495	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"733240"	462.8574495	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1484870"	160.6328495	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"405754"	627.438418	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"767480"	929.663018	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1614486"	325.213818	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"323791"	314.222847	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"715113"	465.335147	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1467842"	163.110547	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1054530"	109.076123333333	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1259492"	335.258086	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"378795"	643.412358	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"746711"	945.636958	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1551316"	341.187758	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"308857"	322.209817	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"699454"	473.322117	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1453275"	171.097517	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"246980"	646.483026	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1215684"	344.258426	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1203938"	172.632851	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"200456"	649.42036	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"636371"	951.64496	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1135502"	347.19576	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"177699"	325.213818	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"614342"	476.326118	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1118939"	174.101518	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1401373"	116.403437333333	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1432029"	349.237346	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"222819"	330.24684	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1510151"	363.28939	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"416039"	333.200788	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"774847"	484.313088	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1677740"	182.088488	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"262073"	668.464968	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1235876"	366.240368	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1726226"	366.263893	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1190852"	123.730751333333	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1662203"	371.219288	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"171258"	681.36824	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"609723"	983.59284	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1098248"	379.14364	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"156402"	341.187758	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"597019"	492.300058	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1083929"	190.075458	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1115441"	381.158192	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1350983"	381.245807	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1020429"	385.284976	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1531380"	386.278608	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1002203"	193.146126	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1598893"	387.193228	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1425647"	417.224738	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1161399"	213.659401	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1708761"	434.251285	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1637852"	439.20668	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1580068"	455.18062	"C15460"	"17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"810432"	452.2199	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M"	0
"980686"	433.20151	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-H2O-H"	-19.01839
"76588"	300.472657333333	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M-3H"	-3.021828
"516875"	451.212624	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M-3H"	-3.021828
"894924"	149.732690666667	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-3H"	-3.021828
"14590"	451.212624	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M-2H"	-2.014552
"454638"	677.322574	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M-2H"	-2.014552
"829885"	225.102674	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-2H"	-2.014552
"92676"	903.432524	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M-H"	-1.007276
"533455"	1355.652424	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M-H"	-1.007276
"905057"	451.212624	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-H"	-1.007276
"53965"	920.459071	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M-2H+NH4"	16.019271
"499723"	1372.678971	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M-2H+NH4"	16.019271
"871327"	468.239171	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-2H+NH4"	16.019271
"40322"	925.414466	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M-2H+Na"	20.974666
"480976"	1377.634366	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M-2H+Na"	20.974666
"860970"	473.194566	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-2H+Na"	20.974666
"1626131"	473.194566	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Na-2H"	20.974666
"104846"	469.200963	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M-H+Cl"	33.962126
"543313"	695.310913	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M-H+Cl"	33.962126
"939018"	243.091013	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-H+Cl"	33.962126
"281705"	939.409202	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+Cl"	34.969402
"673274"	1391.629102	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+Cl"	34.969402
"1281310"	487.189302	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Cl"	34.969402
"28242"	941.388406	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M-2H+K"	36.948606
"469990"	1393.608306	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M-2H+K"	36.948606
"843416"	489.168506	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-2H+K"	36.948606
"1566905"	489.168506	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+K-2H"	36.948606
"950419"	497.218094	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-H+HCOOH"	44.998194
"373370"	949.438001	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+HCOOH-H"	44.998201
"353612"	963.453651	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+Hac-H"	59.013851
"1503537"	511.233751	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Hac-H"	59.013851
"966702"	519.200051	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-H+NaCOOH"	66.980151
"118888"	487.189302	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+2Cl"	69.938804
"561728"	713.299252	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+2Cl"	69.938804
"1030526"	261.079352	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2Cl"	69.938804
"1249008"	531.138785	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Br"	78.918885
"1309273"	533.194772	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Cl+HCOOH"	80.974872
"1322394"	555.176729	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Cl+NaCOOH"	102.956829
"915641"	565.205486	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M-H+CF3COOH"	112.985586
"1289796"	601.182164	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Cl+CF3COOH"	148.962264
"1378171"	417.207224	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H-2H2O"	-35.012676
"1396760"	435.2172	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H-H2O"	-17.0027
"297176"	905.447076	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+H"	1.007276
"684496"	1357.666976	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+H"	1.007276
"1361936"	453.227176	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H"	1.007276
"134824"	453.227176	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+2H"	2.014552
"568551"	679.337126	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+2H"	2.014552
"1048651"	227.117226	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2H"	2.014552
"214365"	302.487209333333	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+3H"	3.021828
"653925"	453.227176	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+3H"	3.021828
"1173146"	151.747242666667	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+3H"	3.021828
"434230"	922.473623	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+NH4"	18.033823
"790121"	1374.693523	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+NH4"	18.033823
"1686451"	470.253723	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+NH4"	18.033823
"333271"	461.7404495	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+H+NH4"	19.041099
"728245"	687.8503995	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+H+NH4"	19.041099
"1483887"	235.6304995	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H+NH4"	19.041099
"404768"	927.429018	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+Na"	22.989218
"768565"	1379.648918	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+Na"	22.989218
"1616052"	475.209118	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Na"	22.989218
"323901"	464.218147	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+H+Na"	23.996494
"717409"	690.328097	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+H+Na"	23.996494
"1469047"	238.108197	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H+Na"	23.996494
"1056827"	159.074556666667	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2H+Na"	25.00377
"1263975"	485.253386	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+CH3OH+H"	33.033486
"383644"	943.402958	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+K"	38.963158
"747914"	1395.622858	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+K"	38.963158
"1553247"	491.183058	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+K"	38.963158
"309331"	472.205117	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+H+K"	39.970434
"699564"	698.315067	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+H+K"	39.970434
"1453385"	246.095167	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H+K"	39.970434
"247090"	946.473626	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+ACN+H"	42.033826
"1220166"	494.253726	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+ACN+H"	42.033826
"1205141"	247.630501	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+ACN+2H"	43.041102
"202387"	949.41096	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+2Na-H"	44.97116
"642435"	1401.63086	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+2Na-H"	44.97116
"1136705"	497.19106	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2Na-H"	44.97116
"178901"	475.209118	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+2Na"	45.978436
"619556"	701.319068	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+2Na"	45.978436
"1119780"	249.099168	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2Na"	45.978436
"1402576"	166.401870666667	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H+2Na"	46.985712
"1432503"	499.232646	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H+HCOOH"	47.012746
"224022"	480.24214	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+3H2O+2H"	56.04448
"1510989"	513.28469	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+IsoProp+H"	61.06479
"413963"	483.196088	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+Na+K"	61.952376
"776050"	709.306038	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+Na+K"	61.952376
"1676393"	257.086138	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Na+K"	61.952376
"262549"	968.455568	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+ACN+Na"	64.015768
"1233800"	516.235668	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+ACN+Na"	64.015768
"1725972"	516.259193	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+NH4+HCOOH"	64.039293
"1190232"	173.729184666667	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+3Na"	68.967654
"1661221"	521.214588	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Na+HCOOH"	68.994688
"171368"	981.35884	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+2K-H"	76.91904
"611291"	1433.57874	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+2K-H"	76.91904
"1092155"	529.13894	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2K-H"	76.91904
"156391"	491.183058	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"2M+2K"	77.926316
"596816"	717.293008	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"3M+2K"	77.926316
"1084165"	265.073108	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2K"	77.926316
"1115593"	531.153492	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2K+H"	78.933592
"1351289"	531.241107	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+DMSO+H"	79.021207
"1020906"	535.280276	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2ACN+H"	83.060376
"1532584"	536.273908	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+IsoProp+Na+H"	84.054008
"1000128"	268.143776	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+2ACN+2H"	84.067652
"1599003"	537.188528	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+K+HCOOH"	84.968628
"1426850"	567.220038	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+H+CF3COOH"	115.000138
"1161509"	288.657051	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+3ACN+2H"	125.094202
"1709964"	584.246585	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+NH4+CF3COOH"	132.026685
"1637962"	589.20198	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+Na+CF3COOH"	136.98208
"1580178"	605.17592	"C15461"	"17beta-Acetyl-12346alpha7alpha10121314alpha1617-dodecahydro-3beta-hydroxy-10beta13beta-dimethyl-5beta8beta-etheno-15H-cyclopentaaphenanthrene-67-dicarboxylic anhydride acetate"	"C27H32O6"	"452.2199"	"M+K+CF3COOH"	152.95602
"810542"	261.1365	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M"	0
"980796"	242.11811	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-H2O-H"	-19.01839
"74510"	173.083724	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M-3H"	-3.021828
"514069"	260.129224	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M-3H"	-3.021828
"894790"	86.038224	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-3H"	-3.021828
"13362"	260.129224	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M-2H"	-2.014552
"454869"	390.697474	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M-2H"	-2.014552
"830852"	129.560974	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-2H"	-2.014552
"92784"	521.265724	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M-H"	-1.007276
"533076"	782.402224	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M-H"	-1.007276
"908084"	260.129224	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-H"	-1.007276
"56263"	538.292271	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M-2H+NH4"	16.019271
"491449"	799.428771	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M-2H+NH4"	16.019271
"873623"	277.155771	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-2H+NH4"	16.019271
"38243"	543.247666	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M-2H+Na"	20.974666
"478898"	804.384166	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M-2H+Na"	20.974666
"853418"	282.111166	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-2H+Na"	20.974666
"1628429"	282.111166	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Na-2H"	20.974666
"103863"	278.117563	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M-H+Cl"	33.962126
"544516"	408.685813	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M-H+Cl"	33.962126
"940221"	147.549313	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-H+Cl"	33.962126
"280965"	557.242402	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+Cl"	34.969402
"673993"	818.378902	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+Cl"	34.969402
"1279233"	296.105902	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Cl"	34.969402
"25073"	559.221606	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M-2H+K"	36.948606
"464634"	820.358106	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M-2H+K"	36.948606
"839152"	298.085106	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-2H+K"	36.948606
"1564829"	298.085106	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+K-2H"	36.948606
"951621"	306.134694	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-H+HCOOH"	44.998194
"365825"	567.271201	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+HCOOH-H"	44.998201
"353722"	581.286851	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+Hac-H"	59.013851
"1500002"	320.150351	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Hac-H"	59.013851
"963532"	328.116651	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-H+NaCOOH"	66.980151
"112438"	296.105902	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+2Cl"	69.938804
"555279"	426.674152	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+2Cl"	69.938804
"1030636"	165.537652	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2Cl"	69.938804
"1249118"	340.055385	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Br"	78.918885
"1309383"	342.111372	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Cl+HCOOH"	80.974872
"1323597"	364.093329	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Cl+NaCOOH"	102.956829
"913685"	374.122086	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M-H+CF3COOH"	112.985586
"1290271"	410.098764	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Cl+CF3COOH"	148.962264
"1375001"	226.123824	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H-2H2O"	-35.012676
"1392496"	244.1338	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H-H2O"	-17.0027
"295464"	523.280276	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+H"	1.007276
"686428"	784.416776	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+H"	1.007276
"1357673"	262.143776	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H"	1.007276
"134934"	262.143776	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+2H"	2.014552
"570120"	392.712026	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+2H"	2.014552
"1045482"	131.575526	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2H"	2.014552
"214112"	175.098276	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+3H"	3.021828
"655128"	262.143776	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+3H"	3.021828
"1172163"	88.052776	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+3H"	3.021828
"433248"	540.306823	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+NH4"	18.033823
"789138"	801.443323	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+NH4"	18.033823
"1686560"	279.170323	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+NH4"	18.033823
"334109"	270.6570495	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+H+NH4"	19.041099
"727990"	401.2252995	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+H+NH4"	19.041099
"1483997"	140.0887995	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H+NH4"	19.041099
"405971"	545.262218	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+Na"	22.989218
"768066"	806.398718	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+Na"	22.989218
"1616163"	284.125718	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Na"	22.989218
"324011"	273.134747	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+H+Na"	23.996494
"717519"	403.702997	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+H+Na"	23.996494
"1469156"	142.566497	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H+Na"	23.996494
"1059124"	95.38009	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2H+Na"	25.00377
"1262992"	294.169986	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+CH3OH+H"	33.033486
"383754"	561.236158	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+K"	38.963158
"751307"	822.372658	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+K"	38.963158
"1552268"	300.099658	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+K"	38.963158
"310901"	281.121717	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+H+K"	39.970434
"704416"	411.689967	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+H+K"	39.970434
"1456774"	150.553467	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H+K"	39.970434
"247930"	564.306826	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+ACN+H"	42.033826
"1221005"	303.170326	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+ACN+H"	42.033826
"1207926"	152.088801	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+ACN+2H"	43.041102
"200675"	567.24416	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+2Na-H"	44.97116
"642302"	828.38066	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+2Na-H"	44.97116
"1134629"	306.10766	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2Na-H"	44.97116
"177189"	284.125718	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+2Na"	45.978436
"619666"	414.693968	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+2Na"	45.978436
"1119161"	153.557468	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2Na"	45.978436
"1404508"	102.707404	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H+2Na"	46.985712
"1432613"	308.149246	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H+HCOOH"	47.012746
"225225"	289.15874	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+3H2O+2H"	56.04448
"1511464"	322.20129	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+IsoProp+H"	61.06479
"417353"	292.112688	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+Na+K"	61.952376
"776160"	422.680938	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+Na+K"	61.952376
"1677596"	161.544438	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Na+K"	61.952376
"261929"	586.288768	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+ACN+Na"	64.015768
"1235732"	325.152268	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+ACN+Na"	64.015768
"1725353"	325.175793	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+NH4+HCOOH"	64.039293
"1188886"	110.034718	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+3Na"	68.967654
"1660966"	330.131188	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Na+HCOOH"	68.994688
"172212"	599.19204	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+2K-H"	76.91904
"611525"	860.32854	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+2K-H"	76.91904
"1090080"	338.05554	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2K-H"	76.91904
"153460"	300.099658	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"2M+2K"	77.926316
"596926"	430.667908	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"3M+2K"	77.926316
"1084182"	169.531408	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2K"	77.926316
"1115537"	340.070092	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2K+H"	78.933592
"1351318"	340.157707	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+DMSO+H"	79.021207
"1015665"	344.196876	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2ACN+H"	83.060376
"1532695"	345.190508	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+IsoProp+Na+H"	84.054008
"1001329"	172.602076	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+2ACN+2H"	84.067652
"1602030"	346.105128	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+K+HCOOH"	84.968628
"1429516"	376.136638	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+H+CF3COOH"	115.000138
"1156153"	193.115351	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+3ACN+2H"	125.094202
"1702423"	393.163185	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+NH4+CF3COOH"	132.026685
"1638073"	398.11858	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+Na+CF3COOH"	136.98208
"1580288"	414.09252	"C15462"	"cis-1346711b-Hexahydro-9-methoxy-2H-benzoaquinolizine-3-carboxylic acid"	"C15H19NO3"	"261.1365"	"M+K+CF3COOH"	152.95602
"807376"	272.1576	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M"	0
"977628"	253.13921	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-H2O-H"	-19.01839
"70244"	180.431124	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M-3H"	-3.021828
"505431"	271.150324	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M-3H"	-3.021828
"895582"	89.711924	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-3H"	-3.021828
"15304"	271.150324	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M-2H"	-2.014552
"455308"	407.229124	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M-2H"	-2.014552
"831203"	135.071524	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-2H"	-2.014552
"93910"	543.307924	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M-H"	-1.007276
"526384"	815.465524	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M-H"	-1.007276
"904183"	271.150324	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-H"	-1.007276
"50904"	560.334471	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M-2H+NH4"	16.019271
"495204"	832.492071	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M-2H+NH4"	16.019271
"874829"	288.176871	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-2H+NH4"	16.019271
"40544"	565.289866	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M-2H+Na"	20.974666
"475728"	837.447466	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M-2H+Na"	20.974666
"860096"	293.132266	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-2H+Na"	20.974666
"1625260"	293.132266	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Na-2H"	20.974666
"101789"	289.138663	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M-H+Cl"	33.962126
"545723"	425.217463	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M-H+Cl"	33.962126
"937053"	153.059863	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-H+Cl"	33.962126
"281076"	579.284602	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+Cl"	34.969402
"670218"	851.442202	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+Cl"	34.969402
"1285182"	307.127002	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Cl"	34.969402
"25189"	581.263806	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M-2H+K"	36.948606
"466935"	853.421406	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M-2H+K"	36.948606
"842546"	309.106206	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-2H+K"	36.948606
"1564944"	309.106206	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+K-2H"	36.948606
"952825"	317.155794	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-H+HCOOH"	44.998194
"369951"	589.313401	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+HCOOH-H"	44.998201
"353104"	603.329051	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+Hac-H"	59.013851
"1502664"	331.171451	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Hac-H"	59.013851
"971299"	339.137751	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-H+NaCOOH"	66.980151
"118018"	307.127002	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+2Cl"	69.938804
"557577"	443.205802	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+2Cl"	69.938804
"1026377"	171.048202	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2Cl"	69.938804
"1247050"	351.076485	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Br"	78.918885
"1306581"	353.132472	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Cl+HCOOH"	80.974872
"1325899"	375.114429	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Cl+NaCOOH"	102.956829
"920247"	385.143186	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M-H+CF3COOH"	112.985586
"1295862"	421.119864	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Cl+CF3COOH"	148.962264
"1375118"	237.144924	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H-2H2O"	-35.012676
"1393706"	255.1549	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H-H2O"	-17.0027
"292301"	545.322476	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+H"	1.007276
"686907"	817.480076	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+H"	1.007276
"1363620"	273.164876	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H"	1.007276
"136145"	273.164876	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+2H"	2.014552
"574612"	409.243676	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+2H"	2.014552
"1047782"	137.086076	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2H"	2.014552
"212404"	182.445676	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+3H"	3.021828
"655245"	273.164876	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+3H"	3.021828
"1171185"	91.726476	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+3H"	3.021828
"435551"	562.349023	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+NH4"	18.033823
"795450"	834.506623	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+NH4"	18.033823
"1691784"	290.191423	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+NH4"	18.033823
"343342"	281.6781495	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+H+NH4"	19.041099
"729201"	417.7569495	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+H+NH4"	19.041099
"1491778"	145.5993495	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H+NH4"	19.041099
"406080"	567.304418	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+Na"	22.989218
"767444"	839.462018	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+Na"	22.989218
"1616635"	295.146818	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Na"	22.989218
"327397"	284.155847	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+H+Na"	23.996494
"715446"	420.234647	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+H+Na"	23.996494
"1472550"	148.077047	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H+Na"	23.996494
"1063610"	99.05379	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2H+Na"	25.00377
"1265287"	305.191086	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+CH3OH+H"	33.033486
"386049"	583.278358	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+K"	38.963158
"744859"	855.435958	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+K"	38.963158
"1551285"	311.120758	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+K"	38.963158
"313939"	292.142817	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+H+K"	39.970434
"707084"	428.221617	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+H+K"	39.970434
"1460948"	156.064017	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H+K"	39.970434
"250886"	586.349026	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+ACN+H"	42.033826
"1225130"	314.191426	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+ACN+H"	42.033826
"1208649"	157.599351	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+ACN+2H"	43.041102
"201518"	589.28636	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+2Na-H"	44.97116
"636704"	861.44396	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+2Na-H"	44.97116
"1141303"	317.12876	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2Na-H"	44.97116
"180219"	295.146818	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+2Na"	45.978436
"627439"	431.225618	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+2Na"	45.978436
"1128033"	159.068018	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2Na"	45.978436
"1411554"	106.381104	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H+2Na"	46.985712
"1444395"	319.170346	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H+HCOOH"	47.012746
"233723"	300.17984	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+3H2O+2H"	56.04448
"1522888"	333.22239	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+IsoProp+H"	61.06479
"419652"	303.133788	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+Na+K"	61.952376
"782836"	439.212588	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+Na+K"	61.952376
"1678810"	167.054988	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Na+K"	61.952376
"265329"	608.330968	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+ACN+Na"	64.015768
"1238411"	336.173368	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+ACN+Na"	64.015768
"1724741"	336.196893	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+NH4+HCOOH"	64.039293
"1188635"	113.708418	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+3Na"	68.967654
"1663638"	341.152288	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Na+HCOOH"	68.994688
"171351"	621.23424	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+2K-H"	76.91904
"612003"	893.39184	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+2K-H"	76.91904
"1096756"	349.07664	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2K-H"	76.91904
"153571"	311.120758	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"2M+2K"	77.926316
"593132"	447.199558	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"3M+2K"	77.926316
"1084102"	175.041958	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2K"	77.926316
"1115444"	351.091192	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2K+H"	78.933592
"1349429"	351.178807	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+DMSO+H"	79.021207
"1015775"	355.217976	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2ACN+H"	83.060376
"1533899"	356.211608	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+IsoProp+Na+H"	84.054008
"999253"	178.112626	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+2ACN+2H"	84.067652
"1600317"	357.126228	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+K+HCOOH"	84.968628
"1429622"	387.157738	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+H+CF3COOH"	115.000138
"1157357"	198.625901	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+3ACN+2H"	125.094202
"1702532"	404.184285	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+NH4+CF3COOH"	132.026685
"1635997"	409.13968	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+Na+CF3COOH"	136.98208
"1580398"	425.11362	"C15463"	"(RS)-4-1-Ethyl-2-(4-fluorophenyl)butylphenol"	"C18H21FO"	"272.1576"	"M+K+CF3COOH"	152.95602
"807482"	250.2297	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M"	0
"981016"	231.21131	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-H2O-H"	-19.01839
"74729"	165.812524	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M-3H"	-3.021828
"513196"	249.222424	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M-3H"	-3.021828
"892089"	82.402624	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-3H"	-3.021828
"10666"	249.222424	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M-2H"	-2.014552
"452413"	374.337274	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M-2H"	-2.014552
"830578"	124.107574	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-2H"	-2.014552
"91300"	499.452124	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M-H"	-1.007276
"534066"	749.681824	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M-H"	-1.007276
"908670"	249.222424	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-H"	-1.007276
"58673"	516.478671	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M-2H+NH4"	16.019271
"491668"	766.708371	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M-2H+NH4"	16.019271
"866919"	266.248971	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-2H+NH4"	16.019271
"35185"	521.434066	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M-2H+Na"	20.974666
"474743"	771.663766	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M-2H+Na"	20.974666
"859112"	271.204366	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-2H+Na"	20.974666
"1626463"	271.204366	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Na-2H"	20.974666
"102992"	267.210763	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M-H+Cl"	33.962126
"546926"	392.325613	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M-H+Cl"	33.962126
"939350"	142.095913	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-H+Cl"	33.962126
"280093"	535.428802	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+Cl"	34.969402
"670328"	785.658502	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+Cl"	34.969402
"1286022"	285.199102	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Cl"	34.969402
"25298"	537.408006	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M-2H+K"	36.948606
"465951"	787.637706	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M-2H+K"	36.948606
"843749"	287.178306	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-2H+K"	36.948606
"1568335"	287.178306	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+K-2H"	36.948606
"952936"	295.227894	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-H+HCOOH"	44.998194
"372247"	545.457601	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+HCOOH-H"	44.998201
"356130"	559.473251	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+Hac-H"	59.013851
"1501680"	309.243551	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Hac-H"	59.013851
"969220"	317.209851	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-H+NaCOOH"	66.980151
"117033"	285.199102	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+2Cl"	69.938804
"556593"	410.313952	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+2Cl"	69.938804
"1025757"	160.084252	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2Cl"	69.938804
"1247524"	329.148585	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Br"	78.918885
"1306691"	331.204572	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Cl+HCOOH"	80.974872
"1324186"	353.186529	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Cl+NaCOOH"	102.956829
"915254"	363.215286	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M-H+CF3COOH"	112.985586
"1291961"	399.191964	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Cl+CF3COOH"	148.962264
"1372312"	215.217024	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H-2H2O"	-35.012676
"1391628"	233.227	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H-H2O"	-17.0027
"290223"	501.466676	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+H"	1.007276
"685195"	751.696376	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+H"	1.007276
"1361179"	251.236976	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H"	1.007276
"131879"	251.236976	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+2H"	2.014552
"573628"	376.351826	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+2H"	2.014552
"1045706"	126.122126	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2H"	2.014552
"210328"	167.827076	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+3H"	3.021828
"653166"	251.236976	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+3H"	3.021828
"1168378"	84.417176	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+3H"	3.021828
"431285"	518.493223	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+NH4"	18.033823
"790093"	768.722923	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+NH4"	18.033823
"1687885"	268.263523	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+NH4"	18.033823
"335067"	259.7502495	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+H+NH4"	19.041099
"728218"	384.8650995	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+H+NH4"	19.041099
"1490790"	134.6353995	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H+NH4"	19.041099
"404004"	523.448618	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+Na"	22.989218
"768279"	773.678318	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+Na"	22.989218
"1615285"	273.218918	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Na"	22.989218
"324228"	262.227947	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+H+Na"	23.996494
"718835"	387.342797	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+H+Na"	23.996494
"1472660"	137.113097	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H+Na"	23.996494
"1059346"	91.74449	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2H+Na"	25.00377
"1264304"	283.263186	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+CH3OH+H"	33.033486
"382879"	539.422558	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+K"	38.963158
"743147"	789.652258	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+K"	38.963158
"1550302"	289.192858	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+K"	38.963158
"312950"	270.214917	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+H+K"	39.970434
"705004"	395.329767	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+H+K"	39.970434
"1459553"	145.100067	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H+K"	39.970434
"250710"	542.493226	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+ACN+H"	42.033826
"1222685"	292.263526	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+ACN+H"	42.033826
"1205478"	146.635401	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+ACN+2H"	43.041102
"198346"	545.43056	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+2Na-H"	44.97116
"640822"	795.66026	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+2Na-H"	44.97116
"1135945"	295.20086	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2Na-H"	44.97116
"178503"	273.218918	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+2Na"	45.978436
"627791"	398.333768	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+2Na"	45.978436
"1130325"	148.104068	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2Na"	45.978436
"1412390"	99.071804	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H+2Na"	46.985712
"1444383"	297.242446	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H+HCOOH"	47.012746
"230917"	278.25194	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+3H2O+2H"	56.04448
"1522998"	311.29449	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+IsoProp+H"	61.06479
"421948"	281.205888	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+Na+K"	61.952376
"779666"	406.320738	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+Na+K"	61.952376
"1678552"	156.091038	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Na+K"	61.952376
"260332"	564.475168	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+ACN+Na"	64.015768
"1236334"	314.245468	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+ACN+Na"	64.015768
"1725943"	314.268993	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+NH4+HCOOH"	64.039293
"1190566"	106.399118	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+3Na"	68.967654
"1660466"	319.224388	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Na+HCOOH"	68.994688
"168424"	577.37844	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+2K-H"	76.91904
"607981"	827.60814	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+2K-H"	76.91904
"1095772"	327.14874	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2K-H"	76.91904
"154409"	289.192858	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"2M+2K"	77.926316
"591055"	414.307708	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"3M+2K"	77.926316
"1082134"	164.078008	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2K"	77.926316
"1112059"	329.163292	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2K+H"	78.933592
"1347351"	329.250907	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+DMSO+H"	79.021207
"1020506"	333.290076	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2ACN+H"	83.060376
"1530728"	334.283708	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+IsoProp+Na+H"	84.054008
"998270"	167.148676	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+2ACN+2H"	84.067652
"1599333"	335.198328	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+K+HCOOH"	84.968628
"1426816"	365.229838	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+H+CF3COOH"	115.000138
"1156373"	187.661951	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+3ACN+2H"	125.094202
"1698269"	382.256385	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+NH4+CF3COOH"	132.026685
"1636107"	387.21178	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+Na+CF3COOH"	136.98208
"1580508"	403.18572	"C15464"	"()-12-(2-Cyclopenten-1-yl)-2-dodecanone"	"C17H30O"	"250.2297"	"M+K+CF3COOH"	152.95602
"810872"	282.2195	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M"	0
"982219"	263.20111	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-H2O-H"	-19.01839
"75932"	187.139057333333	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M-3H"	-3.021828
"513306"	281.212224	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M-3H"	-3.021828
"892199"	93.0658906666666	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-3H"	-3.021828
"14056"	281.212224	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M-2H"	-2.014552
"453252"	422.321974	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M-2H"	-2.014552
"829230"	140.102474	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-2H"	-2.014552
"90317"	563.431724	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M-H"	-1.007276
"533161"	845.651224	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M-H"	-1.007276
"908417"	281.212224	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-H"	-1.007276
"57690"	580.458271	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M-2H+NH4"	16.019271
"490320"	862.677771	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M-2H+NH4"	16.019271
"868122"	298.238771	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-2H+NH4"	16.019271
"40762"	585.413666	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M-2H+Na"	20.974666
"475947"	867.633166	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M-2H+Na"	20.974666
"858129"	303.194166	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-2H+Na"	20.974666
"1623293"	303.194166	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Na-2H"	20.974666
"103102"	299.200563	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M-H+Cl"	33.962126
"545943"	440.310313	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M-H+Cl"	33.962126
"939460"	158.090813	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-H+Cl"	33.962126
"280203"	599.408402	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+Cl"	34.969402
"668252"	881.627902	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+Cl"	34.969402
"1285402"	317.188902	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Cl"	34.969402
"25408"	601.387606	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M-2H+K"	36.948606
"467154"	883.607106	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M-2H+K"	36.948606
"842766"	319.168106	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-2H+K"	36.948606
"1567351"	319.168106	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+K-2H"	36.948606
"955232"	327.217694	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-H+HCOOH"	44.998194
"373452"	609.437201	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+HCOOH-H"	44.998201
"358062"	623.452851	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+Hac-H"	59.013851
"1503976"	341.233351	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Hac-H"	59.013851
"969330"	349.199651	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-H+NaCOOH"	66.980151
"119330"	317.188902	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+2Cl"	69.938804
"556703"	458.298652	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+2Cl"	69.938804
"1026961"	176.079152	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2Cl"	69.938804
"1249456"	361.138385	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Br"	78.918885
"1306801"	363.194372	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Cl+HCOOH"	80.974872
"1322109"	385.176329	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Cl+NaCOOH"	102.956829
"917187"	395.205086	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M-H+CF3COOH"	112.985586
"1293165"	431.181764	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Cl+CF3COOH"	148.962264
"1372058"	247.206824	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H-2H2O"	-35.012676
"1392832"	265.2168	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H-H2O"	-17.0027
"290333"	565.446276	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+H"	1.007276
"685669"	847.665776	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+H"	1.007276
"1361288"	283.226776	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H"	1.007276
"133082"	283.226776	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+2H"	2.014552
"572645"	424.336526	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+2H"	2.014552
"1045815"	142.117026	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2H"	2.014552
"210437"	189.153609333333	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+3H"	3.021828
"652182"	283.226776	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+3H"	3.021828
"1168124"	95.0804426666667	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+3H"	3.021828
"431396"	582.472823	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+NH4"	18.033823
"791296"	864.692323	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+NH4"	18.033823
"1688724"	300.253323	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+NH4"	18.033823
"335906"	291.7400495	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+H+NH4"	19.041099
"729421"	432.8497995	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+H+NH4"	19.041099
"1489807"	150.6302995	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H+NH4"	19.041099
"406300"	587.428218	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+Na"	22.989218
"765109"	869.647718	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+Na"	22.989218
"1613206"	305.208718	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Na"	22.989218
"325432"	294.217747	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+H+Na"	23.996494
"718946"	435.327497	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+H+Na"	23.996494
"1473864"	153.107997	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H+Na"	23.996494
"1061643"	102.407756666667	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2H+Na"	25.00377
"1265508"	315.252986	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+CH3OH+H"	33.033486
"382989"	603.402158	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+K"	38.963158
"741070"	885.621658	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+K"	38.963158
"1548225"	321.182658	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+K"	38.963158
"312330"	302.204717	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+H+K"	39.970434
"704385"	443.314467	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+H+K"	39.970434
"1458570"	161.094967	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H+K"	39.970434
"250820"	606.472826	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+ACN+H"	42.033826
"1223525"	324.253326	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+ACN+H"	42.033826
"1204494"	162.630301	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+ACN+2H"	43.041102
"199549"	609.41016	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+2Na-H"	44.97116
"641295"	891.62966	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+2Na-H"	44.97116
"1137148"	327.19066	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2Na-H"	44.97116
"178613"	305.208718	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+2Na"	45.978436
"626929"	446.318468	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+2Na"	45.978436
"1129220"	164.098968	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2Na"	45.978436
"1412500"	109.735070666667	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H+2Na"	46.985712
"1443886"	329.232246	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H+HCOOH"	47.012746
"233213"	310.24174	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+3H2O+2H"	56.04448
"1522015"	343.28429	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+IsoProp+H"	61.06479
"422058"	313.195688	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+Na+K"	61.952376
"779776"	454.305438	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+Na+K"	61.952376
"1675746"	172.085938	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Na+K"	61.952376
"261900"	628.454768	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+ACN+Na"	64.015768
"1236438"	346.235268	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+ACN+Na"	64.015768
"1723137"	346.258793	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+NH4+HCOOH"	64.039293
"1188489"	117.062384666667	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+3Na"	68.967654
"1662762"	351.214188	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Na+HCOOH"	68.994688
"168533"	641.35804	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+2K-H"	76.91904
"609183"	923.57754	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+2K-H"	76.91904
"1095881"	359.13854	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2K-H"	76.91904
"149415"	321.182658	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"2M+2K"	77.926316
"587881"	462.292408	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"3M+2K"	77.926316
"1083216"	180.072908	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2K"	77.926316
"1114355"	361.153092	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2K+H"	78.933592
"1347461"	361.240707	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+DMSO+H"	79.021207
"1020694"	365.279876	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2ACN+H"	83.060376
"1533026"	366.273508	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+IsoProp+Na+H"	84.054008
"1000567"	183.143576	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+2ACN+2H"	84.067652
"1600901"	367.188128	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+K+HCOOH"	84.968628
"1427291"	397.219638	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+H+CF3COOH"	115.000138
"1156483"	203.656851	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+3ACN+2H"	125.094202
"1698379"	414.246185	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+NH4+CF3COOH"	132.026685
"1636217"	419.20158	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+Na+CF3COOH"	136.98208
"1580618"	435.17552	"C15465"	"6-Oxabicyclo310hexane-2-undecanoic acid methyl ester"	"C17H30O3"	"282.2195"	"M+K+CF3COOH"	152.95602
"810982"	309.0637	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M"	0
"981236"	290.04531	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-H2O-H"	-19.01839
"74949"	205.035190666667	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M-3H"	-3.021828
"513416"	308.056424	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M-3H"	-3.021828
"891216"	102.013957333333	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-3H"	-3.021828
"9793"	308.056424	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M-2H"	-2.014552
"453726"	462.588274	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M-2H"	-2.014552
"830433"	153.524574	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-2H"	-2.014552
"90427"	617.120124	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M-H"	-1.007276
"531085"	926.183824	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M-H"	-1.007276
"907798"	308.056424	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-H"	-1.007276
"58887"	634.146671	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M-2H+NH4"	16.019271
"490065"	943.210371	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M-2H+NH4"	16.019271
"868232"	325.082971	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-2H+NH4"	16.019271
"40872"	639.102066	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M-2H+Na"	20.974666
"478245"	948.165766	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M-2H+Na"	20.974666
"852769"	330.038366	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-2H+Na"	20.974666
"1624496"	330.038366	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Na-2H"	20.974666
"97744"	326.044763	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M-H+Cl"	33.962126
"543865"	480.576613	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M-H+Cl"	33.962126
"939568"	171.512913	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-H+Cl"	33.962126
"281284"	653.096802	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+Cl"	34.969402
"671640"	962.160502	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+Cl"	34.969402
"1285512"	344.033102	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Cl"	34.969402
"25517"	655.076006	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M-2H+K"	36.948606
"468358"	964.139706	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M-2H+K"	36.948606
"842876"	346.012306	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-2H+K"	36.948606
"1567461"	346.012306	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+K-2H"	36.948606
"953156"	354.061894	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-H+HCOOH"	44.998194
"374290"	663.125601	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+HCOOH-H"	44.998201
"357443"	677.141251	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+Hac-H"	59.013851
"1504086"	368.077551	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Hac-H"	59.013851
"969440"	376.043851	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-H+NaCOOH"	66.980151
"116160"	344.033102	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+2Cl"	69.938804
"557906"	498.564952	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+2Cl"	69.938804
"1027800"	189.501252	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2Cl"	69.938804
"1245191"	387.982585	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Br"	78.918885
"1307640"	390.038572	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Cl+HCOOH"	80.974872
"1322219"	412.020529	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Cl+NaCOOH"	102.956829
"919484"	422.049286	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M-H+CF3COOH"	112.985586
"1296191"	458.025964	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Cl+CF3COOH"	148.962264
"1375448"	274.051024	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H-2H2O"	-35.012676
"1392942"	292.061	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H-H2O"	-17.0027
"293360"	619.134676	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+H"	1.007276
"687239"	928.198376	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+H"	1.007276
"1361398"	310.070976	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H"	1.007276
"133192"	310.070976	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+2H"	2.014552
"573848"	464.602826	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+2H"	2.014552
"1045925"	155.539126	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2H"	2.014552
"212369"	207.049742666667	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+3H"	3.021828
"653385"	310.070976	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+3H"	3.021828
"1169327"	104.028509333333	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+3H"	3.021828
"431506"	636.161223	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+NH4"	18.033823
"792499"	945.224923	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+NH4"	18.033823
"1688834"	327.097523	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+NH4"	18.033823
"337109"	318.5842495	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+H+NH4"	19.041099
"730624"	473.1160995	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+H+NH4"	19.041099
"1487367"	164.0523995	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H+NH4"	19.041099
"399852"	641.116618	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+Na"	22.989218
"764126"	950.180318	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+Na"	22.989218
"1610036"	332.052918	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Na"	22.989218
"321167"	321.061947	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+H+Na"	23.996494
"715775"	475.593797	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+H+Na"	23.996494
"1465225"	166.530097	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H+Na"	23.996494
"1060659"	111.355823333333	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2H+Na"	25.00377
"1265618"	342.097186	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+CH3OH+H"	33.033486
"383098"	657.090558	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+K"	38.963158
"741909"	966.154258	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+K"	38.963158
"1547241"	348.026858	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+K"	38.963158
"308794"	329.048917	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+H+K"	39.970434
"700849"	483.580767	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+H+K"	39.970434
"1457221"	174.517067	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H+K"	39.970434
"247646"	660.161226	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+ACN+H"	42.033826
"1222176"	351.097526	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+ACN+H"	42.033826
"1205698"	176.052401	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+ACN+2H"	43.041102
"199296"	663.09856	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+2Na-H"	44.97116
"639218"	972.16226	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+2Na-H"	44.97116
"1137258"	354.03486	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2Na-H"	44.97116
"177266"	332.052918	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+2Na"	45.978436
"627768"	486.584768	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+2Na"	45.978436
"1128844"	177.521068	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2Na"	45.978436
"1411514"	118.683137333333	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H+2Na"	46.985712
"1444240"	356.076446	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H+HCOOH"	47.012746
"231137"	337.08594	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+3H2O+2H"	56.04448
"1517012"	370.12849	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+IsoProp+H"	61.06479
"416698"	340.039888	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+Na+K"	61.952376
"779886"	494.571738	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+Na+K"	61.952376
"1677314"	185.508038	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Na+K"	61.952376
"262738"	682.143168	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+ACN+Na"	64.015768
"1235449"	373.079468	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+ACN+Na"	64.015768
"1722146"	373.102993	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+NH4+HCOOH"	64.039293
"1188599"	126.010451333333	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+3Na"	68.967654
"1662872"	378.058388	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Na+HCOOH"	68.994688
"168643"	695.04644	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+2K-H"	76.91904
"609293"	1004.11014	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+2K-H"	76.91904
"1094898"	385.98274	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2K-H"	76.91904
"149525"	348.026858	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"2M+2K"	77.926316
"587991"	502.558708	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"3M+2K"	77.926316
"1082962"	193.495008	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2K"	77.926316
"1114465"	387.997292	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2K+H"	78.933592
"1348664"	388.084907	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+DMSO+H"	79.021207
"1020479"	392.124076	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2ACN+H"	83.060376
"1532042"	393.117708	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+IsoProp+Na+H"	84.054008
"1000677"	196.565676	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+2ACN+2H"	84.067652
"1600645"	394.032328	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+K+HCOOH"	84.968628
"1428494"	424.063838	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+H+CF3COOH"	115.000138
"1156593"	217.078951	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+3ACN+2H"	125.094202
"1698489"	441.090385	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+NH4+CF3COOH"	132.026685
"1636327"	446.04578	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+Na+CF3COOH"	136.98208
"1580728"	462.01972	"C15466"	"N-(6-Oxo-6H-dibenzobdpyran-3-yl)maleamic acid"	"C17H11NO5"	"309.0637"	"M+K+CF3COOH"	152.95602
"811092"	342.2195	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M"	0
"981346"	323.20111	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-H2O-H"	-19.01839
"70685"	227.139057333333	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M-3H"	-3.021828
"510246"	341.212224	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M-3H"	-3.021828
"891326"	113.065890666667	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-3H"	-3.021828
"12090"	341.212224	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M-2H"	-2.014552
"450556"	512.321974	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M-2H"	-2.014552
"826170"	170.102474	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-2H"	-2.014552
"90537"	683.431724	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M-H"	-1.007276
"530102"	1025.651224	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M-H"	-1.007276
"907907"	341.212224	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-H"	-1.007276
"58997"	700.458271	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M-2H+NH4"	16.019271
"490906"	1042.677771	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M-2H+NH4"	16.019271
"867249"	358.238771	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-2H+NH4"	16.019271
"37702"	705.413666	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M-2H+Na"	20.974666
"478355"	1047.633166	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M-2H+Na"	20.974666
"851783"	363.194166	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-2H+Na"	20.974666
"1624606"	363.194166	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Na-2H"	20.974666
"97854"	359.200563	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M-H+Cl"	33.962126
"543611"	530.310313	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M-H+Cl"	33.962126
"940286"	188.090813	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-H+Cl"	33.962126
"280666"	719.408402	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+Cl"	34.969402
"670657"	1061.627902	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+Cl"	34.969402
"1284165"	377.188902	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Cl"	34.969402
"25628"	721.387606	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M-2H+K"	36.948606
"468834"	1063.607106	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M-2H+K"	36.948606
"841893"	379.168106	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-2H+K"	36.948606
"1569030"	379.168106	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+K-2H"	36.948606
"955088"	387.217694	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-H+HCOOH"	44.998194
"373671"	729.437201	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+HCOOH-H"	44.998201
"357553"	743.452851	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+Hac-H"	59.013851
"1504197"	401.233351	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Hac-H"	59.013851
"969550"	409.199651	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-H+NaCOOH"	66.980151
"116270"	377.188902	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+2Cl"	69.938804
"556923"	548.298652	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+2Cl"	69.938804
"1029003"	206.079152	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2Cl"	69.938804
"1244572"	421.138385	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Br"	78.918885
"1307750"	423.194372	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Cl+HCOOH"	80.974872
"1323058"	445.176329	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Cl+NaCOOH"	102.956829
"919594"	455.205086	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M-H+CF3COOH"	112.985586
"1292291"	491.181764	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Cl+CF3COOH"	148.962264
"1378838"	307.206824	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H-2H2O"	-35.012676
"1394145"	325.2168	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H-H2O"	-17.0027
"294562"	685.446276	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+H"	1.007276
"686253"	1027.665776	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+H"	1.007276
"1360413"	343.226776	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H"	1.007276
"133301"	343.226776	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+2H"	2.014552
"575049"	514.336526	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+2H"	2.014552
"1044941"	172.117026	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2H"	2.014552
"212844"	229.153609333333	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+3H"	3.021828
"652404"	343.226776	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+3H"	3.021828
"1169438"	115.080442666667	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+3H"	3.021828
"429430"	702.472823	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+NH4"	18.033823
"793703"	1044.692323	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+NH4"	18.033823
"1692224"	360.253323	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+NH4"	18.033823
"339408"	351.7400495	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+H+NH4"	19.041099
"729641"	522.8497995	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+H+NH4"	19.041099
"1488935"	180.6302995	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H+NH4"	19.041099
"401785"	707.428218	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+Na"	22.989218
"764602"	1049.647718	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+Na"	22.989218
"1612333"	365.208718	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Na"	22.989218
"323463"	354.217747	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+H+Na"	23.996494
"714793"	525.327497	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+H+Na"	23.996494
"1469709"	183.107997	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H+Na"	23.996494
"1060769"	122.407756666667	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2H+Na"	25.00377
"1264635"	375.252986	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+CH3OH+H"	33.033486
"383209"	723.402158	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+K"	38.963158
"743113"	1065.621658	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+K"	38.963158
"1545164"	381.182658	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+K"	38.963158
"307447"	362.204717	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+H+K"	39.970434
"700229"	533.314467	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+H+K"	39.970434
"1457331"	191.094967	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H+K"	39.970434
"247392"	726.472826	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+ACN+H"	42.033826
"1221921"	384.253326	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+ACN+H"	42.033826
"1205807"	192.630301	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+ACN+2H"	43.041102
"201958"	729.41016	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+2Na-H"	44.97116
"634954"	1071.62966	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+2Na-H"	44.97116
"1137368"	387.19066	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2Na-H"	44.97116
"176283"	365.208718	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+2Na"	45.978436
"626175"	536.318468	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+2Na"	45.978436
"1128102"	194.098968	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2Na"	45.978436
"1411261"	129.735070666667	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H+2Na"	46.985712
"1442283"	389.232246	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H+HCOOH"	47.012746
"231248"	370.24174	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+3H2O+2H"	56.04448
"1517122"	403.28429	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+IsoProp+H"	61.06479
"415715"	373.195688	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+Na+K"	61.952376
"779995"	544.305438	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+Na+K"	61.952376
"1674139"	202.085938	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Na+K"	61.952376
"260658"	748.454768	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+ACN+Na"	64.015768
"1234461"	406.235268	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+ACN+Na"	64.015768
"1721162"	406.258793	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+NH4+HCOOH"	64.039293
"1187615"	137.062384666667	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+3Na"	68.967654
"1662982"	411.214188	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Na+HCOOH"	68.994688
"171545"	761.35804	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+2K-H"	76.91904
"608309"	1103.57754	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+2K-H"	76.91904
"1096829"	419.13854	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2K-H"	76.91904
"151822"	381.182658	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"2M+2K"	77.926316
"589194"	552.292408	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"3M+2K"	77.926316
"1082709"	210.072908	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2K"	77.926316
"1114094"	421.153092	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2K+H"	78.933592
"1348774"	421.240707	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+DMSO+H"	79.021207
"1020224"	425.279876	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2ACN+H"	83.060376
"1532152"	426.273508	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+IsoProp+Na+H"	84.054008
"999693"	213.143576	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+2ACN+2H"	84.067652
"1601483"	427.188128	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+K+HCOOH"	84.968628
"1426414"	457.219638	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+H+CF3COOH"	115.000138
"1157795"	233.656851	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+3ACN+2H"	125.094202
"1698600"	474.246185	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+NH4+CF3COOH"	132.026685
"1636437"	479.20158	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+Na+CF3COOH"	136.98208
"1580838"	495.17552	"C15467"	"6beta17-Dihydroxy-35-cyclo-5alpha17alpha-pregn-20-ene-21-carboxylic acid gamma-lactone"	"C22H30O3"	"342.2195"	"M+K+CF3COOH"	152.95602
"811202"	314.2246	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M"	0
"986923"	295.20621	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-H2O-H"	-19.01839
"77356"	208.475790666667	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M-3H"	-3.021828
"515823"	313.217324	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M-3H"	-3.021828
"893503"	103.734257333333	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-3H"	-3.021828
"12200"	313.217324	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M-2H"	-2.014552
"452853"	470.329624	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M-2H"	-2.014552
"826280"	156.105024	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-2H"	-2.014552
"88459"	627.441924	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M-H"	-1.007276
"530211"	941.666524	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M-H"	-1.007276
"910446"	313.217324	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-H"	-1.007276
"58014"	644.468471	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M-2H+NH4"	16.019271
"493202"	958.693071	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M-2H+NH4"	16.019271
"869911"	330.243871	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-2H+NH4"	16.019271
"37812"	649.423866	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M-2H+Na"	20.974666
"478465"	963.648466	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M-2H+Na"	20.974666
"852989"	335.199266	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-2H+Na"	20.974666
"1631273"	335.199266	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Na-2H"	20.974666
"99057"	331.205663	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M-H+Cl"	33.962126
"544085"	488.317963	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M-H+Cl"	33.962126
"937601"	174.093363	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-H+Cl"	33.962126
"281140"	663.418602	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+Cl"	34.969402
"671860"	977.643202	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+Cl"	34.969402
"1283911"	349.194002	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Cl"	34.969402
"23918"	665.397806	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M-2H+K"	36.948606
"467851"	979.622406	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M-2H+K"	36.948606
"840909"	351.173206	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-2H+K"	36.948606
"1570233"	351.173206	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+K-2H"	36.948606
"955928"	359.222794	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-H+HCOOH"	44.998194
"374875"	673.447401	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+HCOOH-H"	44.998201
"359485"	687.463051	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+Hac-H"	59.013851
"1504307"	373.238451	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Hac-H"	59.013851
"967473"	381.204751	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-H+NaCOOH"	66.980151
"117472"	349.194002	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+2Cl"	69.938804
"555940"	506.306302	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+2Cl"	69.938804
"1026927"	192.081702	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2Cl"	69.938804
"1245774"	393.143485	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Br"	78.918885
"1309318"	395.199472	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Cl+HCOOH"	80.974872
"1325356"	417.181429	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Cl+NaCOOH"	102.956829
"922982"	427.210186	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M-H+CF3COOH"	112.985586
"1296411"	463.186864	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Cl+CF3COOH"	148.962264
"1378947"	279.211924	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H-2H2O"	-35.012676
"1392068"	297.2219	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H-H2O"	-17.0027
"292849"	629.456476	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+H"	1.007276
"686363"	943.681076	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+H"	1.007276
"1361616"	315.231876	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H"	1.007276
"130494"	315.231876	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+2H"	2.014552
"575161"	472.344176	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+2H"	2.014552
"1046146"	158.119576	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2H"	2.014552
"215140"	210.490342666667	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+3H"	3.021828
"654703"	315.231876	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+3H"	3.021828
"1173922"	105.748809333333	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+3H"	3.021828
"435007"	646.483023	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+NH4"	18.033823
"794907"	960.707623	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+NH4"	18.033823
"1690145"	332.258423	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+NH4"	18.033823
"340608"	323.7451495	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+H+NH4"	19.041099
"730844"	480.8574495	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+H+NH4"	19.041099
"1490140"	166.6328495	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H+NH4"	19.041099
"405538"	651.438418	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+Na"	22.989218
"766170"	965.663018	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+Na"	22.989218
"1613540"	337.213818	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Na"	22.989218
"324671"	326.222847	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+H+Na"	23.996494
"715997"	483.335147	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+H+Na"	23.996494
"1468726"	169.110547	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H+Na"	23.996494
"1060880"	113.076123333333	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2H+Na"	25.00377
"1270212"	347.258086	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+CH3OH+H"	33.033486
"389880"	667.412358	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+K"	38.963158
"748690"	981.636958	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+K"	38.963158
"1550742"	353.187758	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+K"	38.963158
"310837"	334.209817	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+H+K"	39.970434
"702526"	491.322117	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+H+K"	39.970434
"1457440"	177.097517	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H+K"	39.970434
"250417"	670.483026	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+ACN+H"	42.033826
"1222031"	356.258426	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+ACN+H"	42.033826
"1208103"	178.632851	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+ACN+2H"	43.041102
"203158"	673.42036	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+2Na-H"	44.97116
"637251"	987.64496	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+2Na-H"	44.97116
"1139665"	359.19576	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2Na-H"	44.97116
"176029"	337.213818	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+2Na"	45.978436
"626891"	494.326118	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+2Na"	45.978436
"1128212"	180.101518	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2Na"	45.978436
"1408455"	120.403437333333	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H+2Na"	46.985712
"1442757"	361.237346	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H+HCOOH"	47.012746
"228078"	342.24684	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+3H2O+2H"	56.04448
"1518326"	375.28939	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+IsoProp+H"	61.06479
"416918"	345.200788	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+Na+K"	61.952376
"775729"	502.313088	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+Na+K"	61.952376
"1672061"	188.088488	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Na+K"	61.952376
"260768"	692.464968	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+ACN+Na"	64.015768
"1233478"	378.240368	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+ACN+Na"	64.015768
"1721272"	378.263893	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+NH4+HCOOH"	64.039293
"1185536"	127.730751333333	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+3Na"	68.967654
"1664185"	383.219288	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Na+HCOOH"	68.994688
"171046"	705.36824	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+2K-H"	76.91904
"612434"	1019.59284	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+2K-H"	76.91904
"1098398"	391.14364	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2K-H"	76.91904
"153027"	353.187758	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"2M+2K"	77.926316
"590399"	510.300058	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"3M+2K"	77.926316
"1083668"	196.075458	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2K"	77.926316
"1115420"	393.158192	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2K+H"	78.933592
"1350223"	393.245807	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+DMSO+H"	79.021207
"1020821"	397.284976	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2ACN+H"	83.060376
"1536636"	398.278608	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+IsoProp+Na+H"	84.054008
"1000895"	199.146126	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+2ACN+2H"	84.067652
"1602689"	399.193228	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+K+HCOOH"	84.968628
"1426524"	429.224738	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+H+CF3COOH"	115.000138
"1154624"	219.659401	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+3ACN+2H"	125.094202
"1701990"	446.251285	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+NH4+CF3COOH"	132.026685
"1637640"	451.20668	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+Na+CF3COOH"	136.98208
"1584228"	467.18062	"C15468"	"35-Cyclo-5alpha17alpha-pregn-20-yne-6beta17-diol"	"C21H30O2"	"314.2246"	"M+K+CF3COOH"	152.95602
"808033"	208.9804	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M"	0
"989659"	189.96201	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-H2O-H"	-19.01839
"76006"	138.312990666667	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M-3H"	-3.021828
"511558"	207.973124	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M-3H"	-3.021828
"889358"	68.6528573333333	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-3H"	-3.021828
"13399"	207.973124	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M-2H"	-2.014552
"445310"	312.463324	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M-2H"	-2.014552
"824207"	103.482924	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-2H"	-2.014552
"86385"	416.953524	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M-H"	-1.007276
"527040"	625.933924	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M-H"	-1.007276
"905940"	207.973124	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-H"	-1.007276
"54847"	433.980071	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M-2H+NH4"	16.019271
"498781"	642.960471	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M-2H+NH4"	16.019271
"870022"	224.999671	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-2H+NH4"	16.019271
"39020"	438.935466	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M-2H+Na"	20.974666
"482955"	647.915866	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M-2H+Na"	20.974666
"856383"	229.955066	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-2H+Na"	20.974666
"1627015"	229.955066	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Na-2H"	20.974666
"105732"	225.961463	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M-H+Cl"	33.962126
"540917"	330.451663	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M-H+Cl"	33.962126
"940997"	121.471263	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-H+Cl"	33.962126
"277739"	452.930202	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+Cl"	34.969402
"670884"	661.910602	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+Cl"	34.969402
"1281835"	243.949802	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Cl"	34.969402
"23297"	454.909406	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M-2H+K"	36.948606
"459942"	663.889806	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M-2H+K"	36.948606
"843576"	245.929006	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-2H+K"	36.948606
"1563419"	245.929006	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+K-2H"	36.948606
"953488"	253.978594	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-H+HCOOH"	44.998194
"371702"	462.959001	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+HCOOH-H"	44.998201
"354855"	476.974651	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+Hac-H"	59.013851
"1501136"	267.994251	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Hac-H"	59.013851
"971598"	275.960551	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-H+NaCOOH"	66.980151
"121961"	243.949802	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+2Cl"	69.938804
"561521"	348.440002	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+2Cl"	69.938804
"1032509"	139.459602	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2Cl"	69.938804
"1252086"	287.899285	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Br"	78.918885
"1314537"	289.955272	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Cl+HCOOH"	80.974872
"1325475"	311.937229	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Cl+NaCOOH"	102.956829
"918722"	321.965986	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M-H+CF3COOH"	112.985586
"1298711"	357.942664	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Cl+CF3COOH"	148.962264
"1375779"	173.967724	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H-2H2O"	-35.012676
"1389994"	191.9777	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H-H2O"	-17.0027
"290774"	418.968076	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+H"	1.007276
"681008"	627.948476	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+H"	1.007276
"1355169"	209.987676	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H"	1.007276
"131335"	209.987676	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+2H"	2.014552
"571993"	314.477876	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+2H"	2.014552
"1041153"	105.497476	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2H"	2.014552
"214156"	140.327542666667	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+3H"	3.021828
"655905"	209.987676	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+3H"	3.021828
"1176944"	70.6674093333333	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+3H"	3.021828
"438394"	435.994623	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+NH4"	18.033823
"799390"	644.975023	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+NH4"	18.033823
"1691347"	227.014223	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+NH4"	18.033823
"340730"	218.5009495	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+H+NH4"	19.041099
"733149"	322.9911495	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+H+NH4"	19.041099
"1486969"	114.0107495	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H+NH4"	19.041099
"404554"	440.950018	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+Na"	22.989218
"764458"	649.930418	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+Na"	22.989218
"1613649"	231.969618	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Na"	22.989218
"323685"	220.978647	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+H+Na"	23.996494
"711004"	325.468847	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+H+Na"	23.996494
"1466649"	116.488447	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H+Na"	23.996494
"1062085"	77.9947233333333	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2H+Na"	25.00377
"1260481"	242.013886	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+CH3OH+H"	33.033486
"385617"	456.923958	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+K"	38.963158
"752081"	665.904358	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+K"	38.963158
"1553040"	247.943558	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+K"	38.963158
"308029"	228.965617	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+H+K"	39.970434
"699356"	333.455817	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+H+K"	39.970434
"1455364"	124.475417	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H+K"	39.970434
"247246"	459.994626	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+ACN+H"	42.033826
"1223236"	251.014226	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+ACN+H"	42.033826
"1207117"	126.010751	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+ACN+2H"	43.041102
"202174"	462.93196	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+2Na-H"	44.97116
"637360"	671.91236	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+2Na-H"	44.97116
"1136491"	253.95156	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2Na-H"	44.97116
"177596"	231.969618	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+2Na"	45.978436
"624814"	336.459818	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+2Na"	45.978436
"1127228"	127.479418	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2Na"	45.978436
"1409657"	85.3220373333333	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H+2Na"	46.985712
"1445257"	255.993146	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H+HCOOH"	47.012746
"226001"	237.00264	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+3H2O+2H"	56.04448
"1511879"	270.04519	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+IsoProp+H"	61.06479
"413750"	239.956588	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+Na+K"	61.952376
"772923"	344.446788	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+Na+K"	61.952376
"1673264"	135.466388	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Na+K"	61.952376
"256137"	481.976568	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+ACN+Na"	64.015768
"1235782"	272.996168	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+ACN+Na"	64.015768
"1722487"	273.019693	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+NH4+HCOOH"	64.039293
"1185653"	92.6493513333333	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+3Na"	68.967654
"1662108"	277.975088	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Na+HCOOH"	68.994688
"165688"	494.87984	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+2K-H"	76.91904
"607434"	703.86024	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+2K-H"	76.91904
"1098511"	285.89944	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2K-H"	76.91904
"155330"	247.943558	"C15471"	"Bismuth"	"Bi"	"208.9804"	"2M+2K"	77.926316
"596917"	352.433758	"C15471"	"Bismuth"	"Bi"	"208.9804"	"3M+2K"	77.926316
"1082805"	143.453358	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2K"	77.926316
"1111517"	287.913992	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2K+H"	78.933592
"1346807"	288.001607	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+DMSO+H"	79.021207
"1018617"	292.040776	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2ACN+H"	83.060376
"1538446"	293.034408	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+IsoProp+Na+H"	84.054008
"1003191"	146.524026	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+2ACN+2H"	84.067652
"1593319"	293.949028	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+K+HCOOH"	84.968628
"1420072"	323.980538	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+H+CF3COOH"	115.000138
"1154737"	167.037301	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+3ACN+2H"	125.094202
"1698818"	341.007085	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+NH4+CF3COOH"	132.026685
"1638846"	345.96248	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+Na+CF3COOH"	136.98208
"1581060"	361.93642	"C15471"	"Bismuth"	"Bi"	"208.9804"	"M+K+CF3COOH"	152.95602
"802676"	73.9212	"C15472"	"Germanium"	"Ge"	"73.9212"	"M"	0
"984957"	54.90281	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-H2O-H"	-19.01839
"68826"	48.273524	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M-3H"	-3.021828
"508388"	72.913924	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M-3H"	-3.021828
"886188"	23.633124	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-3H"	-3.021828
"9135"	72.913924	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M-2H"	-2.014552
"445420"	109.874524	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M-2H"	-2.014552
"823224"	35.953324	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-2H"	-2.014552
"83215"	146.835124	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M-H"	-1.007276
"526057"	220.756324	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M-H"	-1.007276
"906050"	72.913924	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-H"	-1.007276
"51677"	163.861671	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M-2H+NH4"	16.019271
"495611"	237.782871	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M-2H+NH4"	16.019271
"870132"	89.940471	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-2H+NH4"	16.019271
"39130"	168.817066	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M-2H+Na"	20.974666
"485252"	242.738266	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M-2H+Na"	20.974666
"858681"	94.895866	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-2H+Na"	20.974666
"1623845"	94.895866	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Na-2H"	20.974666
"105842"	90.902263	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M-H+Cl"	33.962126
"541027"	127.862863	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M-H+Cl"	33.962126
"940744"	53.941663	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-H+Cl"	33.962126
"275298"	182.811802	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+Cl"	34.969402
"669901"	256.733002	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+Cl"	34.969402
"1282309"	108.890602	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Cl"	34.969402
"24863"	184.791006	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M-2H+K"	36.948606
"461145"	258.712206	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M-2H+K"	36.948606
"842227"	110.869806	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-2H+K"	36.948606
"1563529"	110.869806	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+K-2H"	36.948606
"950318"	118.919394	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-H+HCOOH"	44.998194
"368532"	192.840601	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+HCOOH-H"	44.998201
"354601"	206.856251	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+Hac-H"	59.013851
"1503433"	132.935051	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Hac-H"	59.013851
"970979"	140.901351	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-H+NaCOOH"	66.980151
"118791"	108.890602	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+2Cl"	69.938804
"561631"	145.851202	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+2Cl"	69.938804
"1031526"	71.930002	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2Cl"	69.938804
"1251103"	152.840085	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Br"	78.918885
"1315740"	154.896072	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Cl+HCOOH"	80.974872
"1323032"	176.878029	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Cl+NaCOOH"	102.956829
"918103"	186.906786	"C15472"	"Germanium"	"Ge"	"73.9212"	"M-H+CF3COOH"	112.985586
"1294812"	222.883464	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Cl+CF3COOH"	148.962264
"1373703"	38.908524	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H-2H2O"	-35.012676
"1389739"	56.9185	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H-H2O"	-17.0027
"290884"	148.849676	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+H"	1.007276
"682211"	222.770876	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+H"	1.007276
"1358194"	74.928476	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H"	1.007276
"134725"	74.928476	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+2H"	2.014552
"570280"	111.889076	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+2H"	2.014552
"1040900"	37.967876	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2H"	2.014552
"212081"	50.288076	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+3H"	3.021828
"651642"	74.928476	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+3H"	3.021828
"1175232"	25.647676	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+3H"	3.021828
"437411"	165.876223	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+NH4"	18.033823
"797679"	239.797423	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+NH4"	18.033823
"1688175"	91.955023	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+NH4"	18.033823
"341936"	83.4417495	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+H+NH4"	19.041099
"731075"	120.4023495	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+H+NH4"	19.041099
"1487080"	46.4811495	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H+NH4"	19.041099
"403572"	170.831618	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+Na"	22.989218
"765661"	244.752818	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+Na"	22.989218
"1614852"	96.910418	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Na"	22.989218
"325617"	85.919447	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+H+Na"	23.996494
"714032"	122.880047	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+H+Na"	23.996494
"1466759"	48.958847	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H+Na"	23.996494
"1054901"	32.97499	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2H+Na"	25.00377
"1262778"	106.954686	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+CH3OH+H"	33.033486
"385727"	186.805558	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+K"	38.963158
"751098"	260.726758	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+K"	38.963158
"1553150"	112.884358	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+K"	38.963158
"309232"	93.906417	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+H+K"	39.970434
"701652"	130.867017	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+H+K"	39.970434
"1456567"	56.945817	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H+K"	39.970434
"249544"	189.876226	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+ACN+H"	42.033826
"1223346"	115.955026	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+ACN+H"	42.033826
"1206134"	58.481151	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+ACN+2H"	43.041102
"201191"	192.81356	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+2Na-H"	44.97116
"637470"	266.73476	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+2Na-H"	44.97116
"1135873"	118.89236	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2Na-H"	44.97116
"177342"	96.910418	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+2Na"	45.978436
"621644"	133.871018	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+2Na"	45.978436
"1125150"	59.949818	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2Na"	45.978436
"1408673"	40.302304	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H+2Na"	46.985712
"1437508"	120.933946	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H+HCOOH"	47.012746
"228297"	101.94344	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+3H2O+2H"	56.04448
"1514176"	134.98599	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+IsoProp+H"	61.06479
"411308"	104.897388	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+Na+K"	61.952376
"775951"	141.857988	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+Na+K"	61.952376
"1673374"	67.936788	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Na+K"	61.952376
"255520"	211.858168	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+ACN+Na"	64.015768
"1236988"	137.936968	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+ACN+Na"	64.015768
"1722597"	137.960493	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+NH4+HCOOH"	64.039293
"1186856"	47.629618	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+3Na"	68.967654
"1662218"	142.915888	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Na+HCOOH"	68.994688
"166891"	224.76144	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+2K-H"	76.91904
"607544"	298.68264	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+2K-H"	76.91904
"1094242"	150.84024	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2K-H"	76.91904
"156291"	112.884358	"C15472"	"Germanium"	"Ge"	"73.9212"	"2M+2K"	77.926316
"596458"	149.844958	"C15472"	"Germanium"	"Ge"	"73.9212"	"3M+2K"	77.926316
"1081696"	75.923758	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2K"	77.926316
"1110533"	152.854792	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2K+H"	78.933592
"1351134"	152.942407	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+DMSO+H"	79.021207
"1015445"	156.981576	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2ACN+H"	83.060376
"1535759"	157.975208	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+IsoProp+Na+H"	84.054008
"1003300"	78.994426	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+2ACN+2H"	84.067652
"1594522"	158.889828	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+K+HCOOH"	84.968628
"1421276"	188.921338	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+H+CF3COOH"	115.000138
"1154847"	99.507701	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+3ACN+2H"	125.094202
"1698564"	205.947885	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+NH4+CF3COOH"	132.026685
"1638956"	210.90328	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+Na+CF3COOH"	136.98208
"1581170"	226.87722	"C15472"	"Germanium"	"Ge"	"73.9212"	"M+K+CF3COOH"	152.95602
"801814"	7.016	"C15473"	"Lithium"	"Li"	"7.016"	"M"	0
"985067"	-12.00239	"C15473"	"Lithium"	"Li"	"7.016"	"M-H2O-H"	-19.01839
"71123"	3.67005733333333	"C15473"	"Lithium"	"Li"	"7.016"	"2M-3H"	-3.021828
"508498"	6.008724	"C15473"	"Lithium"	"Li"	"7.016"	"3M-3H"	-3.021828
"887391"	1.33139066666667	"C15473"	"Lithium"	"Li"	"7.016"	"M-3H"	-3.021828
"8152"	6.008724	"C15473"	"Lithium"	"Li"	"7.016"	"2M-2H"	-2.014552
"446623"	9.516724	"C15473"	"Lithium"	"Li"	"7.016"	"3M-2H"	-2.014552
"824427"	2.500724	"C15473"	"Lithium"	"Li"	"7.016"	"M-2H"	-2.014552
"82231"	13.024724	"C15473"	"Lithium"	"Li"	"7.016"	"2M-H"	-1.007276
"523980"	20.040724	"C15473"	"Lithium"	"Li"	"7.016"	"3M-H"	-1.007276
"905067"	6.008724	"C15473"	"Lithium"	"Li"	"7.016"	"M-H"	-1.007276
"51787"	30.051271	"C15473"	"Lithium"	"Li"	"7.016"	"2M-2H+NH4"	16.019271
"495721"	37.067271	"C15473"	"Lithium"	"Li"	"7.016"	"3M-2H+NH4"	16.019271
"869149"	23.035271	"C15473"	"Lithium"	"Li"	"7.016"	"M-2H+NH4"	16.019271
"39240"	35.006666	"C15473"	"Lithium"	"Li"	"7.016"	"2M-2H+Na"	20.974666
"475883"	42.022666	"C15473"	"Lithium"	"Li"	"7.016"	"3M-2H+Na"	20.974666
"856604"	27.990666	"C15473"	"Lithium"	"Li"	"7.016"	"M-2H+Na"	20.974666
"1625048"	27.990666	"C15473"	"Lithium"	"Li"	"7.016"	"M+Na-2H"	20.974666
"109232"	23.997063	"C15473"	"Lithium"	"Li"	"7.016"	"2M-H+Cl"	33.962126
"541137"	27.505063	"C15473"	"Lithium"	"Li"	"7.016"	"3M-H+Cl"	33.962126
"939396"	20.489063	"C15473"	"Lithium"	"Li"	"7.016"	"M-H+Cl"	33.962126
"275408"	49.001402	"C15473"	"Lithium"	"Li"	"7.016"	"2M+Cl"	34.969402
"670011"	56.017402	"C15473"	"Lithium"	"Li"	"7.016"	"3M+Cl"	34.969402
"1280230"	41.985402	"C15473"	"Lithium"	"Li"	"7.016"	"M+Cl"	34.969402
"23880"	50.980606	"C15473"	"Lithium"	"Li"	"7.016"	"2M-2H+K"	36.948606
"461619"	57.996606	"C15473"	"Lithium"	"Li"	"7.016"	"3M-2H+K"	36.948606
"840150"	43.964606	"C15473"	"Lithium"	"Li"	"7.016"	"M-2H+K"	36.948606
"1562544"	43.964606	"C15473"	"Lithium"	"Li"	"7.016"	"M+K-2H"	36.948606
"950427"	52.014194	"C15473"	"Lithium"	"Li"	"7.016"	"M-H+HCOOH"	44.998194
"373015"	59.030201	"C15473"	"Lithium"	"Li"	"7.016"	"2M+HCOOH-H"	44.998201
"355075"	73.045851	"C15473"	"Lithium"	"Li"	"7.016"	"2M+Hac-H"	59.013851
"1502449"	66.029851	"C15473"	"Lithium"	"Li"	"7.016"	"M+Hac-H"	59.013851
"965619"	73.996151	"C15473"	"Lithium"	"Li"	"7.016"	"M-H+NaCOOH"	66.980151
"117808"	41.985402	"C15473"	"Lithium"	"Li"	"7.016"	"2M+2Cl"	69.938804
"561741"	45.493402	"C15473"	"Lithium"	"Li"	"7.016"	"3M+2Cl"	69.938804
"1029451"	38.477402	"C15473"	"Lithium"	"Li"	"7.016"	"M+2Cl"	69.938804
"1249026"	85.934885	"C15473"	"Lithium"	"Li"	"7.016"	"M+Br"	78.918885
"1313663"	87.990872	"C15473"	"Lithium"	"Li"	"7.016"	"M+Cl+HCOOH"	80.974872
"1322777"	109.972829	"C15473"	"Lithium"	"Li"	"7.016"	"M+Cl+NaCOOH"	102.956829
"917849"	120.001586	"C15473"	"Lithium"	"Li"	"7.016"	"M-H+CF3COOH"	112.985586
"1292369"	155.978264	"C15473"	"Lithium"	"Li"	"7.016"	"M+Cl+CF3COOH"	148.962264
"1373083"	-27.996676	"C15473"	"Lithium"	"Li"	"7.016"	"M+H-2H2O"	-35.012676
"1390214"	-9.9867	"C15473"	"Lithium"	"Li"	"7.016"	"M+H-H2O"	-17.0027
"290994"	15.039276	"C15473"	"Lithium"	"Li"	"7.016"	"2M+H"	1.007276
"682319"	22.055276	"C15473"	"Lithium"	"Li"	"7.016"	"3M+H"	1.007276
"1358667"	8.023276	"C15473"	"Lithium"	"Li"	"7.016"	"M+H"	1.007276
"131555"	8.023276	"C15473"	"Lithium"	"Li"	"7.016"	"2M+2H"	2.014552
"574394"	11.531276	"C15473"	"Lithium"	"Li"	"7.016"	"3M+2H"	2.014552
"1039914"	4.515276	"C15473"	"Lithium"	"Li"	"7.016"	"M+2H"	2.014552
"211096"	5.68460933333333	"C15473"	"Lithium"	"Li"	"7.016"	"2M+3H"	3.021828
"652845"	8.023276	"C15473"	"Lithium"	"Li"	"7.016"	"3M+3H"	3.021828
"1176435"	3.34594266666667	"C15473"	"Lithium"	"Li"	"7.016"	"M+3H"	3.021828
"436427"	32.065823	"C15473"	"Lithium"	"Li"	"7.016"	"2M+NH4"	18.033823
"798515"	39.081823	"C15473"	"Lithium"	"Li"	"7.016"	"3M+NH4"	18.033823
"1685005"	25.049823	"C15473"	"Lithium"	"Li"	"7.016"	"M+NH4"	18.033823
"342774"	16.5365495	"C15473"	"Lithium"	"Li"	"7.016"	"2M+H+NH4"	19.041099
"733370"	20.0445495	"C15473"	"Lithium"	"Li"	"7.016"	"3M+H+NH4"	19.041099
"1487190"	13.0285495	"C15473"	"Lithium"	"Li"	"7.016"	"M+H+NH4"	19.041099
"402588"	37.021218	"C15473"	"Lithium"	"Li"	"7.016"	"2M+Na"	22.989218
"763585"	44.037218	"C15473"	"Lithium"	"Li"	"7.016"	"3M+Na"	22.989218
"1613868"	30.005218	"C15473"	"Lithium"	"Li"	"7.016"	"M+Na"	22.989218
"322813"	19.014247	"C15473"	"Lithium"	"Li"	"7.016"	"2M+H+Na"	23.996494
"718516"	22.522247	"C15473"	"Lithium"	"Li"	"7.016"	"3M+H+Na"	23.996494
"1473431"	15.506247	"C15473"	"Lithium"	"Li"	"7.016"	"M+H+Na"	23.996494
"1060115"	10.6732566666667	"C15473"	"Lithium"	"Li"	"7.016"	"M+2H+Na"	25.00377
"1262888"	40.049486	"C15473"	"Lithium"	"Li"	"7.016"	"M+CH3OH+H"	33.033486
"384744"	52.995158	"C15473"	"Lithium"	"Li"	"7.016"	"2M+K"	38.963158
"752302"	60.011158	"C15473"	"Lithium"	"Li"	"7.016"	"3M+K"	38.963158
"1549980"	45.979158	"C15473"	"Lithium"	"Li"	"7.016"	"M+K"	38.963158
"311529"	27.001217	"C15473"	"Lithium"	"Li"	"7.016"	"2M+H+K"	39.970434
"701762"	30.509217	"C15473"	"Lithium"	"Li"	"7.016"	"3M+H+K"	39.970434
"1458500"	23.493217	"C15473"	"Lithium"	"Li"	"7.016"	"M+H+K"	39.970434
"248560"	56.065826	"C15473"	"Lithium"	"Li"	"7.016"	"2M+ACN+H"	42.033826
"1220176"	49.049826	"C15473"	"Lithium"	"Li"	"7.016"	"M+ACN+H"	42.033826
"1206244"	25.028551	"C15473"	"Lithium"	"Li"	"7.016"	"M+ACN+2H"	43.041102
"199115"	59.00316	"C15473"	"Lithium"	"Li"	"7.016"	"2M+2Na-H"	44.97116
"635393"	66.01916	"C15473"	"Lithium"	"Li"	"7.016"	"3M+2Na-H"	44.97116
"1136347"	51.98716	"C15473"	"Lithium"	"Li"	"7.016"	"M+2Na-H"	44.97116
"178910"	30.005218	"C15473"	"Lithium"	"Li"	"7.016"	"2M+2Na"	45.978436
"618474"	33.513218	"C15473"	"Lithium"	"Li"	"7.016"	"3M+2Na"	45.978436
"1123073"	26.497218	"C15473"	"Lithium"	"Li"	"7.016"	"M+2Na"	45.978436
"1402223"	18.0005706666667	"C15473"	"Lithium"	"Li"	"7.016"	"M+H+2Na"	46.985712
"1434338"	54.028746	"C15473"	"Lithium"	"Li"	"7.016"	"M+H+HCOOH"	47.012746
"227313"	35.03824	"C15473"	"Lithium"	"Li"	"7.016"	"2M+3H2O+2H"	56.04448
"1512096"	68.08079	"C15473"	"Lithium"	"Li"	"7.016"	"M+IsoProp+H"	61.06479
"413966"	37.992188	"C15473"	"Lithium"	"Li"	"7.016"	"2M+Na+K"	61.952376
"772779"	41.500188	"C15473"	"Lithium"	"Li"	"7.016"	"3M+Na+K"	61.952376
"1671295"	34.484188	"C15473"	"Lithium"	"Li"	"7.016"	"M+Na+K"	61.952376
"254900"	78.047768	"C15473"	"Lithium"	"Li"	"7.016"	"2M+ACN+Na"	64.015768
"1232710"	71.031768	"C15473"	"Lithium"	"Li"	"7.016"	"M+ACN+Na"	64.015768
"1724892"	71.055293	"C15473"	"Lithium"	"Li"	"7.016"	"M+NH4+HCOOH"	64.039293
"1189154"	25.3278846666667	"C15473"	"Lithium"	"Li"	"7.016"	"M+3Na"	68.967654
"1661233"	76.010688	"C15473"	"Lithium"	"Li"	"7.016"	"M+Na+HCOOH"	68.994688
"168094"	90.95104	"C15473"	"Lithium"	"Li"	"7.016"	"2M+2K-H"	76.91904
"607654"	97.96704	"C15473"	"Lithium"	"Li"	"7.016"	"3M+2K-H"	76.91904
"1094351"	83.93504	"C15473"	"Lithium"	"Li"	"7.016"	"M+2K-H"	76.91904
"156154"	45.979158	"C15473"	"Lithium"	"Li"	"7.016"	"2M+2K"	77.926316
"591825"	49.487158	"C15473"	"Lithium"	"Li"	"7.016"	"3M+2K"	77.926316
"1080712"	42.471158	"C15473"	"Lithium"	"Li"	"7.016"	"M+2K"	77.926316
"1111737"	85.949592	"C15473"	"Lithium"	"Li"	"7.016"	"M+2K+H"	78.933592
"1348125"	86.037207	"C15473"	"Lithium"	"Li"	"7.016"	"M+DMSO+H"	79.021207
"1018838"	90.076376	"C15473"	"Lithium"	"Li"	"7.016"	"M+2ACN+H"	83.060376
"1536963"	91.070008	"C15473"	"Lithium"	"Li"	"7.016"	"M+IsoProp+Na+H"	84.054008
"1002317"	45.541826	"C15473"	"Lithium"	"Li"	"7.016"	"M+2ACN+2H"	84.067652
"1594632"	91.984628	"C15473"	"Lithium"	"Li"	"7.016"	"M+K+HCOOH"	84.968628
"1418106"	122.016138	"C15473"	"Lithium"	"Li"	"7.016"	"M+H+CF3COOH"	115.000138
"1154957"	66.055101	"C15473"	"Lithium"	"Li"	"7.016"	"M+3ACN+2H"	125.094202
"1700133"	139.042685	"C15473"	"Lithium"	"Li"	"7.016"	"M+NH4+CF3COOH"	132.026685
"1636880"	143.99808	"C15473"	"Lithium"	"Li"	"7.016"	"M+Na+CF3COOH"	136.98208
"1581280"	159.97202	"C15473"	"Lithium"	"Li"	"7.016"	"M+K+CF3COOH"	152.95602
"801924"	122.0368	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M"	0
"979709"	103.01841	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-H2O-H"	-19.01839
"71233"	80.3505906666667	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M-3H"	-3.021828
"508608"	121.029524	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M-3H"	-3.021828
"889689"	39.6716573333333	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-3H"	-3.021828
"7170"	121.029524	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M-2H"	-2.014552
"445640"	182.047924	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M-2H"	-2.014552
"823444"	60.011124	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-2H"	-2.014552
"84527"	243.066324	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M-H"	-1.007276
"522994"	365.103124	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M-H"	-1.007276
"906271"	121.029524	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-H"	-1.007276
"55177"	260.092871	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M-2H+NH4"	16.019271
"495831"	382.129671	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M-2H+NH4"	16.019271
"872539"	138.056071	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-2H+NH4"	16.019271
"39350"	265.048266	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M-2H+Na"	20.974666
"476723"	387.085066	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M-2H+Na"	20.974666
"859995"	143.011466	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-2H+Na"	20.974666
"1624065"	143.011466	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Na-2H"	20.974666
"107158"	139.017863	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M-H+Cl"	33.962126
"543435"	200.036263	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M-H+Cl"	33.962126
"939141"	77.999463	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-H+Cl"	33.962126
"275518"	279.043002	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+Cl"	34.969402
"667938"	401.079802	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+Cl"	34.969402
"1280341"	157.006202	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Cl"	34.969402
"23991"	281.022206	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M-2H+K"	36.948606
"465738"	403.059006	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M-2H+K"	36.948606
"841355"	158.985406	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-2H+K"	36.948606
"1562654"	158.985406	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+K-2H"	36.948606
"950538"	167.034994	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-H+HCOOH"	44.998194
"372032"	289.071801	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+HCOOH-H"	44.998201
"354823"	303.087451	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+Hac-H"	59.013851
"1502559"	181.050651	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Hac-H"	59.013851
"967916"	189.016951	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-H+NaCOOH"	66.980151
"120106"	157.006202	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+2Cl"	69.938804
"561852"	218.024602	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+2Cl"	69.938804
"1031747"	95.987802	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2Cl"	69.938804
"1253510"	200.955685	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Br"	78.918885
"1312682"	203.011672	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Cl+HCOOH"	80.974872
"1325807"	224.993629	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Cl+NaCOOH"	102.956829
"922333"	235.022386	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M-H+CF3COOH"	112.985586
"1295761"	270.999064	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Cl+CF3COOH"	148.962264
"1375015"	87.024124	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H-2H2O"	-35.012676
"1391417"	105.0341	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H-H2O"	-17.0027
"288917"	245.080876	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+H"	1.007276
"681336"	367.117676	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+H"	1.007276
"1358781"	123.044076	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H"	1.007276
"133854"	123.044076	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+2H"	2.014552
"569039"	184.062476	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+2H"	2.014552
"1044402"	62.025676	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2H"	2.014552
"212300"	82.3651426666667	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+3H"	3.021828
"654048"	123.044076	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+3H"	3.021828
"1176545"	41.6862093333333	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+3H"	3.021828
"434350"	262.107423	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+NH4"	18.033823
"796438"	384.144223	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+NH4"	18.033823
"1689488"	140.070623	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+NH4"	18.033823
"344222"	131.5573495	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+H+NH4"	19.041099
"733484"	192.5757495	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+H+NH4"	19.041099
"1489488"	70.5389495	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H+NH4"	19.041099
"407681"	267.062818	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+Na"	22.989218
"765881"	389.099618	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+Na"	22.989218
"1615801"	145.026018	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Na"	22.989218
"325839"	134.035047	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+H+Na"	23.996494
"718626"	195.053447	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+H+Na"	23.996494
"1473541"	73.016647	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H+Na"	23.996494
"1060225"	49.0135233333333	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2H+Na"	25.00377
"1261905"	155.070286	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+CH3OH+H"	33.033486
"387041"	283.036758	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+K"	38.963158
"752047"	405.073558	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+K"	38.963158
"1551184"	160.999958	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+K"	38.963158
"309454"	142.022017	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+H+K"	39.970434
"700779"	203.040417	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+H+K"	39.970434
"1457881"	81.003617	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H+K"	39.970434
"248307"	286.107426	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+ACN+H"	42.033826
"1222474"	164.070626	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+ACN+H"	42.033826
"1206355"	82.538951	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+ACN+2H"	43.041102
"201048"	289.04476	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+2Na-H"	44.97116
"639513"	411.08156	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+2Na-H"	44.97116
"1140103"	167.00796	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2Na-H"	44.97116
"181208"	145.026018	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+2Na"	45.978436
"619678"	206.044418	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+2Na"	45.978436
"1119903"	84.007618	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2Na"	45.978436
"1402333"	56.3408373333333	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H+2Na"	46.985712
"1439189"	169.049546	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H+HCOOH"	47.012746
"228521"	150.05904	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+3H2O+2H"	56.04448
"1511115"	183.10159	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+IsoProp+H"	61.06479
"411526"	153.012988	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+Na+K"	61.952376
"772525"	214.031388	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+Na+K"	61.952376
"1670314"	91.994588	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Na+K"	61.952376
"261208"	308.089368	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+ACN+Na"	64.015768
"1232824"	186.052568	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+ACN+Na"	64.015768
"1719895"	186.076093	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+NH4+HCOOH"	64.039293
"1189261"	63.6681513333333	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+3Na"	68.967654
"1660249"	191.031488	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Na+HCOOH"	68.994688
"168204"	320.99264	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+2K-H"	76.91904
"607764"	443.02944	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+2K-H"	76.91904
"1095557"	198.95584	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2K-H"	76.91904
"156714"	160.999958	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"2M+2K"	77.926316
"594858"	222.018358	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"3M+2K"	77.926316
"1083664"	99.981558	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2K"	77.926316
"1113671"	200.970392	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2K+H"	78.933592
"1348722"	201.058007	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+DMSO+H"	79.021207
"1018828"	205.097176	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2ACN+H"	83.060376
"1537072"	206.090808	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+IsoProp+Na+H"	84.054008
"1001333"	103.052226	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+2ACN+2H"	84.067652
"1594741"	207.005428	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+K+HCOOH"	84.968628
"1420401"	237.036938	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+H+CF3COOH"	115.000138
"1155066"	123.565501	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+3ACN+2H"	125.094202
"1698419"	254.063485	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+NH4+CF3COOH"	132.026685
"1640270"	259.01888	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+Na+CF3COOH"	136.98208
"1581390"	274.99282	"C15474"	"Tropolone"	"C7H6O2"	"122.0368"	"M+K+CF3COOH"	152.95602
"803734"	180.0786	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M"	0
"980912"	161.06021	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-H2O-H"	-19.01839
"72436"	119.045124	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M-3H"	-3.021828
"509811"	179.071324	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M-3H"	-3.021828
"893079"	59.018924	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-3H"	-3.021828
"10561"	179.071324	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M-2H"	-2.014552
"444656"	269.110624	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M-2H"	-2.014552
"819543"	89.032024	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-2H"	-2.014552
"84636"	359.149924	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M-H"	-1.007276
"524197"	539.228524	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M-H"	-1.007276
"909664"	179.071324	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-H"	-1.007276
"55287"	376.176471	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M-2H+NH4"	16.019271
"499221"	556.255071	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M-2H+NH4"	16.019271
"872648"	196.097871	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-2H+NH4"	16.019271
"38366"	381.131866	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M-2H+Na"	20.974666
"481207"	561.210466	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M-2H+Na"	20.974666
"860105"	201.053266	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-2H+Na"	20.974666
"1627455"	201.053266	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Na-2H"	20.974666
"101797"	197.059663	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M-H+Cl"	33.962126
"546463"	287.098963	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M-H+Cl"	33.962126
"935975"	107.020363	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-H+Cl"	33.962126
"272710"	395.126602	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+Cl"	34.969402
"668048"	575.205202	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+Cl"	34.969402
"1279722"	215.048002	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Cl"	34.969402
"26287"	397.105806	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M-2H+K"	36.948606
"465848"	577.184406	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M-2H+K"	36.948606
"843650"	217.027206	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-2H+K"	36.948606
"1563858"	217.027206	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+K-2H"	36.948606
"951742"	225.076794	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-H+HCOOH"	44.998194
"372142"	405.155401	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+HCOOH-H"	44.998201
"354934"	419.171051	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+Hac-H"	59.013851
"1500484"	239.092451	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Hac-H"	59.013851
"969485"	247.058751	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-H+NaCOOH"	66.980151
"118032"	215.048002	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+2Cl"	69.938804
"558684"	305.087302	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+2Cl"	69.938804
"1031129"	125.008702	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2Cl"	69.938804
"1251434"	258.997485	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Br"	78.918885
"1313887"	261.053472	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Cl+HCOOH"	80.974872
"1330291"	283.035429	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Cl+NaCOOH"	102.956829
"923536"	293.064186	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M-H+CF3COOH"	112.985586
"1294777"	329.040864	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Cl+CF3COOH"	148.962264
"1375124"	145.065924	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H-2H2O"	-35.012676
"1392621"	163.0759	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H-H2O"	-17.0027
"288298"	361.164476	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+H"	1.007276
"681447"	541.243076	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+H"	1.007276
"1358890"	181.085876	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H"	1.007276
"133964"	181.085876	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+2H"	2.014552
"569149"	271.125176	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+2H"	2.014552
"1044512"	91.046576	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2H"	2.014552
"206943"	121.059676	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+3H"	3.021828
"655251"	181.085876	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+3H"	3.021828
"1173375"	61.033476	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+3H"	3.021828
"433366"	378.191023	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+NH4"	18.033823
"796548"	558.269623	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+NH4"	18.033823
"1688505"	198.112423	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+NH4"	18.033823
"343360"	189.5991495	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+H+NH4"	19.041099
"733594"	279.6384495	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+H+NH4"	19.041099
"1489599"	99.5598495	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H+NH4"	19.041099
"406816"	383.146418	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+Na"	22.989218
"766719"	563.225018	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+Na"	22.989218
"1613724"	203.067818	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Na"	22.989218
"324854"	192.076847	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+H+Na"	23.996494
"717642"	282.116147	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+H+Na"	23.996494
"1471463"	102.037547	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H+Na"	23.996494
"1065802"	68.36079	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2H+Na"	25.00377
"1269668"	213.112086	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+CH3OH+H"	33.033486
"388243"	399.120358	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+K"	38.963158
"752156"	579.198958	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+K"	38.963158
"1552022"	219.041758	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+K"	38.963158
"307373"	200.063817	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+H+K"	39.970434
"700889"	290.103117	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+H+K"	39.970434
"1456897"	110.024517	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H+K"	39.970434
"248781"	402.191026	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+ACN+H"	42.033826
"1221491"	222.112426	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+ACN+H"	42.033826
"1208287"	111.559851	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+ACN+2H"	43.041102
"201158"	405.12836	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+2Na-H"	44.97116
"636707"	585.20696	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+2Na-H"	44.97116
"1139484"	225.04976	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2Na-H"	44.97116
"181318"	203.067818	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+2Na"	45.978436
"616508"	293.107118	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+2Na"	45.978436
"1122201"	113.028518	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2Na"	45.978436
"1403537"	75.688104	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H+2Na"	46.985712
"1435653"	227.091346	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H+HCOOH"	47.012746
"225349"	208.10084	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+3H2O+2H"	56.04448
"1515596"	241.14339	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+IsoProp+H"	61.06479
"412001"	211.054788	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+Na+K"	61.952376
"772632"	301.094088	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+Na+K"	61.952376
"1670420"	121.015488	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Na+K"	61.952376
"255849"	424.172968	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+ACN+Na"	64.015768
"1229651"	244.094368	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+ACN+Na"	64.015768
"1718912"	244.117893	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+NH4+HCOOH"	64.039293
"1184999"	83.015418	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+3Na"	68.967654
"1658173"	249.073288	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Na+HCOOH"	68.994688
"166128"	437.07624	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+2K-H"	76.91904
"605687"	617.15484	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+2K-H"	76.91904
"1092387"	256.99764	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2K-H"	76.91904
"155645"	219.041758	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"2M+2K"	77.926316
"596833"	309.081058	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"3M+2K"	77.926316
"1082394"	129.002458	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2K"	77.926316
"1108678"	259.012192	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2K+H"	78.933592
"1348342"	259.099807	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+DMSO+H"	79.021207
"1018696"	263.138976	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2ACN+H"	83.060376
"1537914"	264.132608	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+IsoProp+Na+H"	84.054008
"1002536"	132.073126	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+2ACN+2H"	84.067652
"1595945"	265.047228	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+K+HCOOH"	84.968628
"1419418"	295.078738	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+H+CF3COOH"	115.000138
"1151896"	152.586401	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+3ACN+2H"	125.094202
"1699258"	312.105285	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+NH4+CF3COOH"	132.026685
"1640380"	317.06068	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+Na+CF3COOH"	136.98208
"1581500"	333.03462	"C15475"	"U 0521"	"C10H12O3"	"180.0786"	"M+K+CF3COOH"	152.95602
"805303"	173.1204	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M"	0
"982116"	154.10201	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-H2O-H"	-19.01839
"72546"	114.406324	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M-3H"	-3.021828
"509921"	172.113124	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M-3H"	-3.021828
"893189"	56.699524	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-3H"	-3.021828
"10671"	172.113124	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M-2H"	-2.014552
"444766"	258.673324	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M-2H"	-2.014552
"819289"	85.552924	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-2H"	-2.014552
"84745"	345.233524	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M-H"	-1.007276
"525400"	518.353924	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M-H"	-1.007276
"899927"	172.113124	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-H"	-1.007276
"49926"	362.260071	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M-2H+NH4"	16.019271
"491673"	535.380471	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M-2H+NH4"	16.019271
"869477"	189.139671	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-2H+NH4"	16.019271
"41756"	367.215466	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M-2H+Na"	20.974666
"482410"	540.335866	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M-2H+Na"	20.974666
"856933"	194.095066	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-2H+Na"	20.974666
"1629753"	194.095066	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Na-2H"	20.974666
"104093"	190.101463	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M-H+Cl"	33.962126
"545481"	276.661663	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M-H+Cl"	33.962126
"933897"	103.541263	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-H+Cl"	33.962126
"280115"	381.210202	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+Cl"	34.969402
"673750"	554.330602	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+Cl"	34.969402
"1282383"	208.089802	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Cl"	34.969402
"27492"	383.189406	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M-2H+K"	36.948606
"465961"	556.309806	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M-2H+K"	36.948606
"844492"	210.069006	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-2H+K"	36.948606
"1565066"	210.069006	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+K-2H"	36.948606
"954041"	218.118594	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-H+HCOOH"	44.998194
"372983"	391.239001	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+HCOOH-H"	44.998201
"354683"	405.254651	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+Hac-H"	59.013851
"1502786"	232.134251	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Hac-H"	59.013851
"968137"	240.100551	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-H+NaCOOH"	66.980151
"118868"	208.089802	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+2Cl"	69.938804
"559887"	294.650002	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+2Cl"	69.938804
"1033061"	121.529602	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2Cl"	69.938804
"1250451"	252.039285	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Br"	78.918885
"1310715"	254.095272	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Cl+HCOOH"	80.974872
"1331494"	276.077229	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Cl+NaCOOH"	102.956829
"925348"	286.105986	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M-H+CF3COOH"	112.985586
"1300353"	322.082664	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Cl+CF3COOH"	148.962264
"1375234"	138.107724	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H-2H2O"	-35.012676
"1388356"	156.1177	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H-H2O"	-17.0027
"290231"	347.248076	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+H"	1.007276
"683015"	520.368476	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+H"	1.007276
"1360093"	174.127676	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H"	1.007276
"127025"	174.127676	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+2H"	2.014552
"569259"	260.687876	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+2H"	2.014552
"1043529"	87.567476	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2H"	2.014552
"207053"	116.420876	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+3H"	3.021828
"653175"	174.127676	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+3H"	3.021828
"1176401"	58.714076	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+3H"	3.021828
"430196"	364.274623	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+NH4"	18.033823
"793378"	537.395023	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+NH4"	18.033823
"1686792"	191.154223	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+NH4"	18.033823
"345380"	182.6409495	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+H+NH4"	19.041099
"736255"	269.2011495	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+H+NH4"	19.041099
"1491531"	96.0807495	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H+NH4"	19.041099
"406201"	369.230018	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+Na"	22.989218
"767194"	542.350418	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+Na"	22.989218
"1617479"	196.109618	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Na"	22.989218
"328246"	185.118647	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+H+Na"	23.996494
"717752"	271.678847	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+H+Na"	23.996494
"1471573"	98.558447	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H+Na"	23.996494
"1061538"	66.04139	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2H+Na"	25.00377
"1267590"	206.153886	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+CH3OH+H"	33.033486
"388350"	385.203958	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+K"	38.963158
"752996"	558.324358	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+K"	38.963158
"1551403"	212.083558	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+K"	38.963158
"307484"	193.105617	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+H+K"	39.970434
"701000"	279.665817	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+H+K"	39.970434
"1457007"	106.545417	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H+K"	39.970434
"248891"	388.274626	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+ACN+H"	42.033826
"1222695"	215.154226	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+ACN+H"	42.033826
"1207668"	108.080751	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+ACN+2H"	43.041102
"203092"	391.21196	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+2Na-H"	44.97116
"639004"	564.33236	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+2Na-H"	44.97116
"1139230"	218.09156	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2Na-H"	44.97116
"178876"	196.109618	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+2Na"	45.978436
"622085"	282.669818	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+2Na"	45.978436
"1123404"	109.549418	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2Na"	45.978436
"1403647"	73.368704	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H+2Na"	46.985712
"1435763"	220.133146	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H+HCOOH"	47.012746
"226553"	201.14264	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+3H2O+2H"	56.04448
"1512427"	234.18519	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+IsoProp+H"	61.06479
"411383"	204.096588	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+Na+K"	61.952376
"771646"	290.656788	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+Na+K"	61.952376
"1668707"	117.536388	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Na+K"	61.952376
"254865"	410.256568	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+ACN+Na"	64.015768
"1228668"	237.136168	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+ACN+Na"	64.015768
"1716471"	237.159693	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+NH4+HCOOH"	64.039293
"1184014"	80.696018	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+3Na"	68.967654
"1655002"	242.115088	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Na+HCOOH"	68.994688
"162227"	423.15984	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+2K-H"	76.91904
"603611"	596.28024	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+2K-H"	76.91904
"1092497"	250.03944	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2K-H"	76.91904
"154783"	212.083558	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"2M+2K"	77.926316
"596660"	298.643758	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"3M+2K"	77.926316
"1082988"	125.523358	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2K"	77.926316
"1112068"	252.053992	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2K+H"	78.933592
"1350888"	252.141607	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+DMSO+H"	79.021207
"1019169"	256.180776	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2ACN+H"	83.060376
"1539242"	257.174408	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+IsoProp+Na+H"	84.054008
"1003740"	128.594026	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+2ACN+2H"	84.067652
"1593868"	258.089028	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+K+HCOOH"	84.968628
"1419528"	288.120538	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+H+CF3COOH"	115.000138
"1152006"	149.107301	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+3ACN+2H"	125.094202
"1699368"	305.147085	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+NH4+CF3COOH"	132.026685
"1640490"	310.10248	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+Na+CF3COOH"	136.98208
"1581610"	326.07642	"C15476"	"Norselegiline"	"C12H15N"	"173.1204"	"M+K+CF3COOH"	152.95602
"805413"	221.1528	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M"	0
"981133"	202.13441	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-H2O-H"	-19.01839
"74843"	146.427924	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M-3H"	-3.021828
"510031"	220.145524	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M-3H"	-3.021828
"890019"	72.710324	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-3H"	-3.021828
"10781"	220.145524	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M-2H"	-2.014552
"444874"	330.721924	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M-2H"	-2.014552
"818664"	109.569124	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-2H"	-2.014552
"81569"	441.298324	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M-H"	-1.007276
"521133"	662.451124	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M-H"	-1.007276
"903315"	220.145524	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-H"	-1.007276
"50401"	458.324871	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M-2H+NH4"	16.019271
"488135"	679.477671	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M-2H+NH4"	16.019271
"867764"	237.172071	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-2H+NH4"	16.019271
"44783"	463.280266	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M-2H+Na"	20.974666
"482519"	684.433066	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M-2H+Na"	20.974666
"850477"	242.127466	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-2H+Na"	20.974666
"1628768"	242.127466	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Na-2H"	20.974666
"103110"	238.133863	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M-H+Cl"	33.962126
"547412"	348.710263	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M-H+Cl"	33.962126
"938381"	127.557463	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-H+Cl"	33.962126
"281074"	477.275002	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+Cl"	34.969402
"673982"	698.427802	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+Cl"	34.969402
"1285044"	256.122202	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Cl"	34.969402
"28696"	479.254206	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M-2H+K"	36.948606
"468983"	700.407006	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M-2H+K"	36.948606
"844962"	258.101406	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-2H+K"	36.948606
"1566993"	258.101406	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+K-2H"	36.948606
"956335"	266.150994	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-H+HCOOH"	44.998194
"374550"	487.303801	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+HCOOH-H"	44.998201
"356976"	501.319451	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+Hac-H"	59.013851
"1503623"	280.166651	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Hac-H"	59.013851
"969339"	288.132951	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-H+NaCOOH"	66.980151
"121529"	256.122202	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+2Cl"	69.938804
"559997"	366.698602	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+2Cl"	69.938804
"1033170"	145.545802	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2Cl"	69.938804
"1252748"	300.071685	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Br"	78.918885
"1309730"	302.127672	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Cl+HCOOH"	80.974872
"1323948"	324.109629	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Cl+NaCOOH"	102.956829
"916100"	334.138386	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M-H+CF3COOH"	112.985586
"1296088"	370.115064	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Cl+CF3COOH"	148.962264
"1375342"	186.140124	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H-2H2O"	-35.012676
"1392837"	204.1501	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H-H2O"	-17.0027
"290338"	443.312876	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+H"	1.007276
"682760"	664.465676	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+H"	1.007276
"1355827"	222.160076	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H"	1.007276
"125745"	222.160076	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+2H"	2.014552
"569369"	332.736476	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+2H"	2.014552
"1041450"	111.583676	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2H"	2.014552
"211537"	148.442476	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+3H"	3.021828
"646723"	222.160076	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+3H"	3.021828
"1168127"	74.724876	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+3H"	3.021828
"428118"	460.339423	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+NH4"	18.033823
"787654"	681.492223	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+NH4"	18.033823
"1683256"	239.186623	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+NH4"	18.033823
"344304"	230.6733495	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+H+NH4"	19.041099
"737095"	341.2497495	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+H+NH4"	19.041099
"1492412"	120.0969495	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H+NH4"	19.041099
"407406"	465.294818	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+Na"	22.989218
"766940"	686.447618	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+Na"	22.989218
"1617916"	244.142018	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Na"	22.989218
"329834"	233.151047	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+H+Na"	23.996494
"717862"	343.727447	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+H+Na"	23.996494
"1472777"	122.574647	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H+Na"	23.996494
"1064929"	82.05219	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2H+Na"	25.00377
"1269886"	254.186286	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+CH3OH+H"	33.033486
"388460"	481.268758	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+K"	38.963158
"754065"	702.421558	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+K"	38.963158
"1551149"	260.115958	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+K"	38.963158
"307594"	241.138017	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+H+K"	39.970434
"701110"	351.714417	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+H+K"	39.970434
"1454931"	130.561617	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H+K"	39.970434
"248637"	484.339426	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+ACN+H"	42.033826
"1224506"	263.186626	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+ACN+H"	42.033826
"1207414"	132.096951	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+ACN+2H"	43.041102
"202231"	487.27676	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+2Na-H"	44.97116
"638750"	708.42956	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+2Na-H"	44.97116
"1139341"	266.12396	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2Na-H"	44.97116
"182633"	244.142018	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+2Na"	45.978436
"621102"	354.718418	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+2Na"	45.978436
"1121328"	133.565618	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2Na"	45.978436
"1399989"	89.379504	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H+2Na"	46.985712
"1434780"	268.165546	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H+HCOOH"	47.012746
"225570"	249.17504	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+3H2O+2H"	56.04448
"1511443"	282.21759	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+IsoProp+H"	61.06479
"413315"	252.128988	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+Na+K"	61.952376
"775034"	362.705388	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+Na+K"	61.952376
"1673916"	141.552588	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Na+K"	61.952376
"257156"	506.321368	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+ACN+Na"	64.015768
"1227318"	285.168568	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+ACN+Na"	64.015768
"1716945"	285.192093	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+NH4+HCOOH"	64.039293
"1183393"	96.706818	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+3Na"	68.967654
"1655112"	290.147488	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Na+HCOOH"	68.994688
"165252"	519.22464	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+2K-H"	76.91904
"602628"	740.37744	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+2K-H"	76.91904
"1092607"	298.07184	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2K-H"	76.91904
"155986"	260.115958	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"2M+2K"	77.926316
"596888"	370.692358	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"3M+2K"	77.926316
"1082246"	149.539558	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2K"	77.926316
"1112175"	300.086392	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2K+H"	78.933592
"1350874"	300.174007	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+DMSO+H"	79.021207
"1020982"	304.213176	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2ACN+H"	83.060376
"1539228"	305.206808	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+IsoProp+Na+H"	84.054008
"1004944"	152.610226	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+2ACN+2H"	84.067652
"1595072"	306.121428	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+K+HCOOH"	84.968628
"1420732"	336.152938	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+H+CF3COOH"	115.000138
"1155396"	173.123501	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+3ACN+2H"	125.094202
"1699478"	353.179485	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+NH4+CF3COOH"	132.026685
"1639506"	358.13488	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+Na+CF3COOH"	136.98208
"1581720"	374.10882	"C15477"	"CGP 28014"	"C12H19N3O"	"221.1528"	"M+K+CF3COOH"	152.95602
"816338"	163.0845	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M"	0
"989264"	144.06611	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-H2O-H"	-19.01839
"74953"	107.715724	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M-3H"	-3.021828
"512329"	162.077224	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M-3H"	-3.021828
"890130"	53.354224	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-3H"	-3.021828
"10891"	162.077224	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M-2H"	-2.014552
"450455"	243.619474	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M-2H"	-2.014552
"820599"	80.534974	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-2H"	-2.014552
"82778"	325.161724	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M-H"	-1.007276
"522337"	488.246224	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M-H"	-1.007276
"903426"	162.077224	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-H"	-1.007276
"50875"	342.188271	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M-2H+NH4"	16.019271
"488975"	505.272771	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M-2H+NH4"	16.019271
"870792"	179.103771	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-2H+NH4"	16.019271
"44164"	347.143666	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M-2H+Na"	20.974666
"485063"	510.228166	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M-2H+Na"	20.974666
"849860"	184.059166	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-2H+Na"	20.974666
"1621221"	184.059166	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Na-2H"	20.974666
"101033"	180.065563	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M-H+Cl"	33.962126
"548250"	261.607813	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M-H+Cl"	33.962126
"938488"	98.523313	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-H+Cl"	33.962126
"281426"	361.138402	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+Cl"	34.969402
"672751"	524.222902	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+Cl"	34.969402
"1279685"	198.053902	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Cl"	34.969402
"29897"	363.117606	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M-2H+K"	36.948606
"469457"	526.202106	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M-2H+K"	36.948606
"845072"	200.033106	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-2H+K"	36.948606
"1567467"	200.033106	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+K-2H"	36.948606
"955352"	208.082694	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-H+HCOOH"	44.998194
"374660"	371.167201	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+HCOOH-H"	44.998201
"355263"	385.182851	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+Hac-H"	59.013851
"1503003"	222.098351	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Hac-H"	59.013851
"969449"	230.064651	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-H+NaCOOH"	66.980151
"120547"	198.053902	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+2Cl"	69.938804
"560107"	279.596152	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+2Cl"	69.938804
"1030002"	116.511652	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2Cl"	69.938804
"1250672"	242.003385	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Br"	78.918885
"1305829"	244.059372	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Cl+HCOOH"	80.974872
"1324058"	266.041329	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Cl+NaCOOH"	102.956829
"916209"	276.070086	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M-H+CF3COOH"	112.985586
"1294011"	312.046764	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Cl+CF3COOH"	148.962264
"1375453"	128.071824	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H-2H2O"	-35.012676
"1389667"	146.0818	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H-H2O"	-17.0027
"284615"	327.176276	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+H"	1.007276
"680684"	490.260776	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+H"	1.007276
"1355208"	164.091776	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H"	1.007276
"125853"	164.091776	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+2H"	2.014552
"566684"	245.634026	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+2H"	2.014552
"1037507"	82.549526	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2H"	2.014552
"204839"	109.730276	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+3H"	3.021828
"645852"	164.091776	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+3H"	3.021828
"1163861"	55.368776	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+3H"	3.021828
"428228"	344.202823	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+NH4"	18.033823
"787395"	507.287323	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+NH4"	18.033823
"1687742"	181.118323	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+NH4"	18.033823
"342591"	172.6050495	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+H+NH4"	19.041099
"737695"	254.1472995	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+H+NH4"	19.041099
"1491999"	91.0627995	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H+NH4"	19.041099
"406058"	349.158218	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+Na"	22.989218
"767780"	512.242718	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+Na"	22.989218
"1616609"	186.073718	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Na"	22.989218
"328589"	175.082747	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+H+Na"	23.996494
"719066"	256.624997	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+H+Na"	23.996494
"1475806"	93.540497	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H+Na"	23.996494
"1065404"	62.69609	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2H+Na"	25.00377
"1269999"	196.117986	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+CH3OH+H"	33.033486
"390031"	365.132158	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+K"	38.963158
"753947"	528.216658	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+K"	38.963158
"1549436"	202.047658	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+K"	38.963158
"306612"	183.069717	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+H+K"	39.970434
"701949"	264.611967	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+H+K"	39.970434
"1455040"	101.527467	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H+K"	39.970434
"248018"	368.202826	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+ACN+H"	42.033826
"1218540"	205.118326	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+ACN+H"	42.033826
"1206431"	103.062801	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+ACN+2H"	43.041102
"202219"	371.14016	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+2Na-H"	44.97116
"638133"	534.22466	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+2Na-H"	44.97116
"1138358"	208.05566	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2Na-H"	44.97116
"182743"	186.073718	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+2Na"	45.978436
"624128"	267.615968	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+2Na"	45.978436
"1124719"	104.531468	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2Na"	45.978436
"1409335"	70.023404	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H+2Na"	46.985712
"1434890"	210.097246	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H+HCOOH"	47.012746
"225680"	191.10674	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+3H2O+2H"	56.04448
"1513741"	224.14929	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+IsoProp+H"	61.06479
"411239"	194.060688	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+Na+K"	61.952376
"771142"	275.602938	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+Na+K"	61.952376
"1667109"	112.518438	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Na+K"	61.952376
"253264"	390.184768	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+ACN+Na"	64.015768
"1227794"	227.100268	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+ACN+Na"	64.015768
"1723253"	227.123793	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+NH4+HCOOH"	64.039293
"1183139"	77.350718	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+3Na"	68.967654
"1658503"	232.079188	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Na+HCOOH"	68.994688
"167548"	403.08804	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+2K-H"	76.91904
"609299"	566.17254	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+2K-H"	76.91904
"1093810"	240.00354	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2K-H"	76.91904
"155732"	202.047658	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"2M+2K"	77.926316
"591282"	283.589908	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"3M+2K"	77.926316
"1080169"	120.505408	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2K"	77.926316
"1111191"	242.018092	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2K+H"	78.933592
"1346486"	242.105707	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+DMSO+H"	79.021207
"1013923"	246.144876	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2ACN+H"	83.060376
"1535329"	247.138508	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+IsoProp+Na+H"	84.054008
"1000682"	123.576076	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+2ACN+2H"	84.067652
"1596275"	248.053128	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+K+HCOOH"	84.968628
"1423027"	278.084638	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+H+CF3COOH"	115.000138
"1152225"	144.089351	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+3ACN+2H"	125.094202
"1700682"	295.111185	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+NH4+CF3COOH"	132.026685
"1638523"	300.06658	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+Na+CF3COOH"	136.98208
"1581830"	316.04052	"C15478"	"D-Fucosamine;2-Amino-26-dideoxy-D-galactose"	"C6H13NO4"	"163.0845"	"M+K+CF3COOH"	152.95602
"812194"	163.0845	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M"	0
"982446"	144.06611	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-H2O-H"	-19.01839
"69596"	107.715724	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M-3H"	-3.021828
"516449"	162.077224	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M-3H"	-3.021828
"893520"	53.354224	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-3H"	-3.021828
"11001"	162.077224	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M-2H"	-2.014552
"451658"	243.619474	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M-2H"	-2.014552
"821802"	80.534974	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-2H"	-2.014552
"83981"	325.161724	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M-H"	-1.007276
"523540"	488.246224	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M-H"	-1.007276
"907911"	162.077224	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-H"	-1.007276
"49893"	342.188271	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M-2H+NH4"	16.019271
"489085"	505.272771	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M-2H+NH4"	16.019271
"870902"	179.103771	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-2H+NH4"	16.019271
"43915"	347.143666	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M-2H+Na"	20.974666
"483477"	510.228166	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M-2H+Na"	20.974666
"853983"	184.059166	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-2H+Na"	20.974666
"1621330"	184.059166	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Na-2H"	20.974666
"101143"	180.065563	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M-H+Cl"	33.962126
"545079"	261.607813	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M-H+Cl"	33.962126
"935317"	98.523313	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-H+Cl"	33.962126
"281532"	361.138402	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+Cl"	34.969402
"670672"	524.222902	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+Cl"	34.969402
"1279794"	198.053902	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Cl"	34.969402
"27818"	363.117606	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M-2H+K"	36.948606
"469934"	526.202106	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M-2H+K"	36.948606
"847696"	200.033106	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-2H+K"	36.948606
"1567577"	200.033106	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+K-2H"	36.948606
"956556"	208.082694	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-H+HCOOH"	44.998194
"375499"	371.167201	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+HCOOH-H"	44.998201
"359020"	385.182851	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+Hac-H"	59.013851
"1505302"	222.098351	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Hac-H"	59.013851
"969560"	230.064651	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-H+NaCOOH"	66.980151
"122113"	198.053902	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+2Cl"	69.938804
"560217"	279.596152	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+2Cl"	69.938804
"1032299"	116.511652	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2Cl"	69.938804
"1252970"	242.003385	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Br"	78.918885
"1314326"	244.059372	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Cl+HCOOH"	80.974872
"1327450"	266.041329	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Cl+NaCOOH"	102.956829
"919600"	276.070086	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M-H+CF3COOH"	112.985586
"1300681"	312.046764	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Cl+CF3COOH"	148.962264
"1378842"	128.071824	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H-2H2O"	-35.012676
"1389777"	146.0818	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H-H2O"	-17.0027
"287277"	327.176276	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+H"	1.007276
"682980"	490.260776	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+H"	1.007276
"1356047"	164.091776	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H"	1.007276
"126256"	164.091776	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+2H"	2.014552
"569589"	245.634026	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+2H"	2.014552
"1040576"	82.549526	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2H"	2.014552
"206286"	109.730276	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+3H"	3.021828
"646694"	164.091776	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+3H"	3.021828
"1168347"	55.368776	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+3H"	3.021828
"426025"	344.202823	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+NH4"	18.033823
"787869"	507.287323	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+NH4"	18.033823
"1687852"	181.118323	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+NH4"	18.033823
"336138"	172.6050495	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+H+NH4"	19.041099
"737932"	254.1472995	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+H+NH4"	19.041099
"1491868"	91.0627995	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H+NH4"	19.041099
"408364"	349.158218	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+Na"	22.989218
"768994"	512.242718	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+Na"	22.989218
"1617455"	186.073718	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Na"	22.989218
"328828"	175.082747	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+H+Na"	23.996494
"721249"	256.624997	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+H+Na"	23.996494
"1476898"	93.540497	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H+Na"	23.996494
"1066245"	62.69609	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2H+Na"	25.00377
"1271448"	196.117986	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+CH3OH+H"	33.033486
"389413"	365.132158	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+K"	38.963158
"753205"	528.216658	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+K"	38.963158
"1554411"	202.047658	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+K"	38.963158
"310003"	183.069717	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+H+K"	39.970434
"704611"	264.611967	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+H+K"	39.970434
"1460014"	101.527467	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H+K"	39.970434
"247037"	368.202826	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+ACN+H"	42.033826
"1223756"	205.118326	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+ACN+H"	42.033826
"1206907"	103.062801	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+ACN+2H"	43.041102
"200869"	371.14016	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+2Na-H"	44.97116
"640430"	534.22466	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+2Na-H"	44.97116
"1138468"	208.05566	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2Na-H"	44.97116
"183946"	186.073718	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+2Na"	45.978436
"624601"	267.615968	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+2Na"	45.978436
"1125923"	104.531468	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2Na"	45.978436
"1412000"	70.023404	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H+2Na"	46.985712
"1441559"	210.097246	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H+HCOOH"	47.012746
"230893"	191.10674	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+3H2O+2H"	56.04448
"1510692"	224.14929	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+IsoProp+H"	61.06479
"410256"	194.060688	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+Na+K"	61.952376
"770885"	275.602938	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+Na+K"	61.952376
"1667216"	112.518438	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Na+K"	61.952376
"253010"	390.184768	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+ACN+Na"	64.015768
"1226246"	227.100268	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+ACN+Na"	64.015768
"1722272"	227.123793	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+NH4+HCOOH"	64.039293
"1189810"	77.350718	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+3Na"	68.967654
"1658613"	232.079188	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Na+HCOOH"	68.994688
"167662"	403.08804	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+2K-H"	76.91904
"610503"	566.17254	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+2K-H"	76.91904
"1092828"	240.00354	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2K-H"	76.91904
"156985"	202.047658	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"2M+2K"	77.926316
"591392"	283.589908	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"3M+2K"	77.926316
"1080279"	120.505408	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2K"	77.926316
"1112394"	242.018092	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2K+H"	78.933592
"1347690"	242.105707	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+DMSO+H"	79.021207
"1016221"	246.144876	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2ACN+H"	83.060376
"1537626"	247.138508	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+IsoProp+Na+H"	84.054008
"1002981"	123.576076	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+2ACN+2H"	84.067652
"1595294"	248.053128	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+K+HCOOH"	84.968628
"1425327"	278.084638	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+H+CF3COOH"	115.000138
"1155616"	144.089351	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+3ACN+2H"	125.094202
"1702981"	295.111185	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+NH4+CF3COOH"	132.026685
"1638633"	300.06658	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+Na+CF3COOH"	136.98208
"1581940"	316.04052	"C15479"	"D-Quinovosamine;2-Amino-26-dideoxy-D-glucose"	"C6H13NO4"	"163.0845"	"M+K+CF3COOH"	152.95602
"812304"	205.095	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M"	0
"982557"	186.07661	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-H2O-H"	-19.01839
"71893"	135.722724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M-3H"	-3.021828
"512549"	204.087724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M-3H"	-3.021828
"887070"	67.357724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-3H"	-3.021828
"6736"	204.087724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M-2H"	-2.014552
"445203"	306.635224	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M-2H"	-2.014552
"821913"	101.540224	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-2H"	-2.014552
"85186"	409.182724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M-H"	-1.007276
"523652"	614.277724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M-H"	-1.007276
"908021"	204.087724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-H"	-1.007276
"49639"	426.209271	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M-2H+NH4"	16.019271
"490287"	631.304271	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M-2H+NH4"	16.019271
"872105"	221.114271	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-2H+NH4"	16.019271
"44388"	431.164666	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M-2H+Na"	20.974666
"483585"	636.259666	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M-2H+Na"	20.974666
"862478"	226.069666	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-2H+Na"	20.974666
"1619254"	226.069666	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Na-2H"	20.974666
"96879"	222.076063	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M-H+Cl"	33.962126
"544095"	324.623563	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M-H+Cl"	33.962126
"934334"	119.528563	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-H+Cl"	33.962126
"279455"	445.159402	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+Cl"	34.969402
"671876"	650.254402	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+Cl"	34.969402
"1277352"	240.064402	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Cl"	34.969402
"25377"	447.138606	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M-2H+K"	36.948606
"470165"	652.233606	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M-2H+K"	36.948606
"839825"	242.043606	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-2H+K"	36.948606
"1566592"	242.043606	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+K-2H"	36.948606
"956663"	250.093194	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-H+HCOOH"	44.998194
"374880"	455.188201	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+HCOOH-H"	44.998201
"357670"	469.203851	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+Hac-H"	59.013851
"1503590"	264.108851	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Hac-H"	59.013851
"968577"	272.075151	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-H+NaCOOH"	66.980151
"122223"	240.064402	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+2Cl"	69.938804
"561055"	342.611902	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+2Cl"	69.938804
"1032409"	137.516902	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2Cl"	69.938804
"1253445"	284.013885	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Br"	78.918885
"1306052"	286.069872	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Cl+HCOOH"	80.974872
"1320064"	308.051829	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Cl+NaCOOH"	102.956829
"914242"	318.080586	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M-H+CF3COOH"	112.985586
"1290950"	354.057264	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Cl+CF3COOH"	148.962264
"1373484"	170.082324	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H-2H2O"	-35.012676
"1384783"	188.0923	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H-H2O"	-17.0027
"284833"	411.197276	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+H"	1.007276
"679807"	616.292276	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+H"	1.007276
"1352873"	206.102276	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H"	1.007276
"127217"	206.102276	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+2H"	2.014552
"566534"	308.649776	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+2H"	2.014552
"1039954"	103.554776	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2H"	2.014552
"206762"	137.737276	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+3H"	3.021828
"645953"	206.102276	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+3H"	3.021828
"1166627"	69.372276	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+3H"	3.021828
"428075"	428.223823	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+NH4"	18.033823
"787980"	633.318823	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+NH4"	18.033823
"1686868"	223.128823	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+NH4"	18.033823
"337341"	214.6155495	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+H+NH4"	19.041099
"737926"	317.1630495	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+H+NH4"	19.041099
"1491979"	112.0680495	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H+NH4"	19.041099
"407256"	433.179218	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+Na"	22.989218
"769104"	638.274218	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+Na"	22.989218
"1617688"	228.084218	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Na"	22.989218
"329427"	217.093247	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+H+Na"	23.996494
"722093"	319.640747	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+H+Na"	23.996494
"1476160"	114.545747	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H+Na"	23.996494
"1064533"	76.69959	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2H+Na"	25.00377
"1271316"	238.128486	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+CH3OH+H"	33.033486
"391594"	449.153158	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+K"	38.963158
"753442"	654.248158	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+K"	38.963158
"1554644"	244.058158	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+K"	38.963158
"312546"	225.080217	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+H+K"	39.970434
"706179"	327.627717	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+H+K"	39.970434
"1459639"	122.532717	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H+K"	39.970434
"248969"	452.223826	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+ACN+H"	42.033826
"1223136"	247.128826	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+ACN+H"	42.033826
"1207017"	124.068051	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+ACN+2H"	43.041102
"203048"	455.16116	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+2Na-H"	44.97116
"637261"	660.25616	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+2Na-H"	44.97116
"1138579"	250.06616	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2Na-H"	44.97116
"180776"	228.084218	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+2Na"	45.978436
"622524"	330.631718	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+2Na"	45.978436
"1127126"	125.536718	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2Na"	45.978436
"1406274"	84.026904	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H+2Na"	46.985712
"1437295"	252.107746	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H+HCOOH"	47.012746
"233068"	233.11724	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+3H2O+2H"	56.04448
"1511775"	266.15979	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+IsoProp+H"	61.06479
"410368"	236.071188	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+Na+K"	61.952376
"772458"	338.618688	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+Na+K"	61.952376
"1669877"	133.523688	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Na+K"	61.952376
"253486"	474.205768	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+ACN+Na"	64.015768
"1226922"	269.110768	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+ACN+Na"	64.015768
"1724568"	269.134293	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+NH4+HCOOH"	64.039293
"1193082"	91.354218	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+3Na"	68.967654
"1664067"	274.089688	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Na+HCOOH"	68.994688
"169958"	487.10904	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+2K-H"	76.91904
"611706"	692.20404	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+2K-H"	76.91904
"1097310"	282.01404	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2K-H"	76.91904
"156811"	244.058158	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"2M+2K"	77.926316
"594781"	346.605658	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"3M+2K"	77.926316
"1081482"	141.510658	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2K"	77.926316
"1111411"	284.028592	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2K+H"	78.933592
"1348895"	284.116207	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+DMSO+H"	79.021207
"1019248"	288.155376	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2ACN+H"	83.060376
"1539194"	289.149008	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+IsoProp+Na+H"	84.054008
"1003090"	144.581326	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+2ACN+2H"	84.067652
"1596498"	290.063628	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+K+HCOOH"	84.968628
"1426531"	320.095138	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+H+CF3COOH"	115.000138
"1154634"	165.094601	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+3ACN+2H"	125.094202
"1703091"	337.121685	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+NH4+CF3COOH"	132.026685
"1638743"	342.07708	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+Na+CF3COOH"	136.98208
"1582050"	358.05102	"C15480"	"N-Acetyl-D-fucosamine;2-Acetamido-26-dideoxy-D-galactose"	"C8H15NO5"	"205.095"	"M+K+CF3COOH"	152.95602
"812414"	205.095	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M"	0
"982667"	186.07661	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-H2O-H"	-19.01839
"70910"	135.722724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M-3H"	-3.021828
"512659"	204.087724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M-3H"	-3.021828
"887179"	67.357724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-3H"	-3.021828
"7940"	204.087724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M-2H"	-2.014552
"445314"	306.635224	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M-2H"	-2.014552
"822027"	101.540224	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-2H"	-2.014552
"84205"	409.182724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M-H"	-1.007276
"525951"	614.277724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M-H"	-1.007276
"903759"	204.087724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-H"	-1.007276
"60693"	426.209271	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M-2H+NH4"	16.019271
"499881"	631.304271	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M-2H+NH4"	16.019271
"877562"	221.114271	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-2H+NH4"	16.019271
"37937"	431.164666	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M-2H+Na"	20.974666
"485154"	636.259666	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M-2H+Na"	20.974666
"859673"	226.069666	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-2H+Na"	20.974666
"1624835"	226.069666	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Na-2H"	20.974666
"99175"	222.076063	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M-H+Cl"	33.962126
"535092"	324.623563	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M-H+Cl"	33.962126
"934444"	119.528563	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-H+Cl"	33.962126
"282251"	445.159402	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+Cl"	34.969402
"671986"	650.254402	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+Cl"	34.969402
"1285483"	240.064402	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Cl"	34.969402
"30966"	447.138606	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M-2H+K"	36.948606
"470885"	652.233606	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M-2H+K"	36.948606
"847470"	242.043606	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-2H+K"	36.948606
"1567797"	242.043606	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+K-2H"	36.948606
"953859"	250.093194	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-H+HCOOH"	44.998194
"375355"	455.188201	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+HCOOH-H"	44.998201
"358511"	469.203851	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+Hac-H"	59.013851
"1505520"	264.108851	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Hac-H"	59.013851
"968685"	272.075151	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-H+NaCOOH"	66.980151
"121240"	240.064402	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+2Cl"	69.938804
"562987"	342.611902	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+2Cl"	69.938804
"1033610"	137.516902	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2Cl"	69.938804
"1253188"	284.013885	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Br"	78.918885
"1308350"	286.069872	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Cl+HCOOH"	80.974872
"1322930"	308.051829	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Cl+NaCOOH"	102.956829
"915445"	318.080586	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M-H+CF3COOH"	112.985586
"1295434"	354.057264	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Cl+CF3COOH"	148.962264
"1373596"	170.082324	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H-2H2O"	-35.012676
"1393278"	188.0923	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H-H2O"	-17.0027
"294057"	411.197276	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+H"	1.007276
"684292"	616.292276	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+H"	1.007276
"1360640"	206.102276	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H"	1.007276
"129882"	206.102276	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+2H"	2.014552
"568349"	308.649776	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+2H"	2.014552
"1038239"	103.554776	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2H"	2.014552
"205412"	137.737276	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+3H"	3.021828
"646427"	206.102276	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+3H"	3.021828
"1165644"	69.372276	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+3H"	3.021828
"428188"	428.223823	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+NH4"	18.033823
"788824"	633.318823	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+NH4"	18.033823
"1688075"	223.128823	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+NH4"	18.033823
"335264"	214.6155495	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+H+NH4"	19.041099
"738341"	317.1630495	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+H+NH4"	19.041099
"1492673"	112.0680495	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H+NH4"	19.041099
"408424"	433.179218	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+Na"	22.989218
"769576"	638.274218	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+Na"	22.989218
"1617997"	228.084218	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Na"	22.989218
"328925"	217.093247	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+H+Na"	23.996494
"720496"	319.640747	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+H+Na"	23.996494
"1475413"	114.545747	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H+Na"	23.996494
"1056631"	76.69959	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2H+Na"	25.00377
"1263776"	238.128486	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+CH3OH+H"	33.033486
"386725"	449.153158	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+K"	38.963158
"745533"	654.248158	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+K"	38.963158
"1548675"	244.058158	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+K"	38.963158
"308037"	225.080217	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+H+K"	39.970434
"702647"	327.627717	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+H+K"	39.970434
"1452095"	122.532717	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H+K"	39.970434
"241790"	452.223826	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+ACN+H"	42.033826
"1218872"	247.128826	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+ACN+H"	42.033826
"1197288"	124.068051	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+ACN+2H"	43.041102
"192346"	455.16116	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+2Na-H"	44.97116
"634092"	660.25616	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+2Na-H"	44.97116
"1143063"	250.06616	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2Na-H"	44.97116
"177609"	228.084218	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+2Na"	45.978436
"614129"	330.631718	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+2Na"	45.978436
"1125049"	125.536718	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2Na"	45.978436
"1406385"	84.026904	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H+2Na"	46.985712
"1440686"	252.107746	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H+HCOOH"	47.012746
"231475"	233.11724	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+3H2O+2H"	56.04448
"1518444"	266.15979	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+IsoProp+H"	61.06479
"413755"	236.071188	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+Na+K"	61.952376
"774748"	338.618688	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+Na+K"	61.952376
"1667801"	133.523688	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Na+K"	61.952376
"255415"	474.205768	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+ACN+Na"	64.015768
"1228126"	269.110768	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+ACN+Na"	64.015768
"1721397"	269.134293	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+NH4+HCOOH"	64.039293
"1190760"	91.354218	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+3Na"	68.967654
"1661019"	274.089688	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Na+HCOOH"	68.994688
"168975"	487.10904	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+2K-H"	76.91904
"608536"	692.20404	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+2K-H"	76.91904
"1093047"	282.01404	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2K-H"	76.91904
"156185"	244.058158	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"2M+2K"	77.926316
"592705"	346.605658	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"3M+2K"	77.926316
"1080499"	141.510658	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2K"	77.926316
"1111521"	284.028592	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2K+H"	78.933592
"1349003"	284.116207	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+DMSO+H"	79.021207
"1018264"	288.155376	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2ACN+H"	83.060376
"1538579"	289.149008	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+IsoProp+Na+H"	84.054008
"1001013"	144.581326	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+2ACN+2H"	84.067652
"1590051"	290.063628	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+K+HCOOH"	84.968628
"1424459"	320.095138	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+H+CF3COOH"	115.000138
"1156931"	165.094601	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+3ACN+2H"	125.094202
"1706484"	337.121685	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+NH4+CF3COOH"	132.026685
"1643228"	342.07708	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+Na+CF3COOH"	136.98208
"1582160"	358.05102	"C15481"	"N-Acetyl-D-quinovosamine;2-Acetamido-26-dideoxy-D-glucose"	"C8H15NO5"	"205.095"	"M+K+CF3COOH"	152.95602
"812524"	1421.7489	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M"	0
"979497"	1402.73051	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-H2O-H"	-19.01839
"67738"	946.825324	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M-3H"	-3.021828
"505111"	1420.741624	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M-3H"	-3.021828
"885099"	472.909024	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-3H"	-3.021828
"8047"	1420.741624	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M-2H"	-2.014552
"440679"	2131.616074	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M-2H"	-2.014552
"822137"	709.867174	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-2H"	-2.014552
"81035"	2842.490524	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M-H"	-1.007276
"522415"	4264.239424	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M-H"	-1.007276
"909336"	1420.741624	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-H"	-1.007276
"56056"	2859.517071	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M-2H+NH4"	16.019271
"491606"	4281.265971	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M-2H+NH4"	16.019271
"877793"	1437.768171	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-2H+NH4"	16.019271
"44609"	2864.472466	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M-2H+Na"	20.974666
"483076"	4286.221366	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M-2H+Na"	20.974666
"856502"	1442.723566	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-2H+Na"	20.974666
"1622755"	1442.723566	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Na-2H"	20.974666
"95516"	1438.729963	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M-H+Cl"	33.962126
"536660"	2149.604413	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M-H+Cl"	33.962126
"928596"	727.855513	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-H+Cl"	33.962126
"282518"	2878.467202	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+Cl"	34.969402
"673189"	4300.216102	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+Cl"	34.969402
"1285593"	1456.718302	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Cl"	34.969402
"30953"	2880.446406	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M-2H+K"	36.948606
"470874"	4302.195306	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M-2H+K"	36.948606
"846607"	1458.697506	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-2H+K"	36.948606
"1570461"	1458.697506	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+K-2H"	36.948606
"956885"	1466.747094	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-H+HCOOH"	44.998194
"376195"	2888.496001	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+HCOOH-H"	44.998201
"359715"	2902.511651	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+Hac-H"	59.013851
"1506724"	1480.762751	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Hac-H"	59.013851
"967702"	1488.729051	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-H+NaCOOH"	66.980151
"121714"	1456.718302	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+2Cl"	69.938804
"562734"	2167.592752	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+2Cl"	69.938804
"1033721"	745.843852	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2Cl"	69.938804
"1254391"	1500.667785	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Br"	78.918885
"1304937"	1502.723772	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Cl+HCOOH"	80.974872
"1324499"	1524.705729	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Cl+NaCOOH"	102.956829
"919929"	1534.734486	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M-H+CF3COOH"	112.985586
"1295544"	1570.711164	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Cl+CF3COOH"	148.962264
"1373706"	1386.736224	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H-2H2O"	-35.012676
"1393388"	1404.7462	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H-H2O"	-17.0027
"294167"	2844.505076	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+H"	1.007276
"684402"	4266.253976	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+H"	1.007276
"1359657"	1422.756176	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H"	1.007276
"128167"	1422.756176	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+2H"	2.014552
"566636"	2133.630626	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+2H"	2.014552
"1038224"	711.881726	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2H"	2.014552
"205153"	948.839876	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+3H"	3.021828
"645807"	1422.756176	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+3H"	3.021828
"1164416"	474.923576	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+3H"	3.021828
"427569"	2861.531623	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+NH4"	18.033823
"788563"	4283.280523	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+NH4"	18.033823
"1681612"	1439.782723	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+NH4"	18.033823
"334280"	1431.2694495	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+H+NH4"	19.041099
"738012"	2142.1438995	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+H+NH4"	19.041099
"1492195"	720.3949995	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H+NH4"	19.041099
"407109"	2866.487018	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+Na"	22.989218
"769440"	4288.235918	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+Na"	22.989218
"1617296"	1444.738118	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Na"	22.989218
"328185"	1433.747147	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+H+Na"	23.996494
"720971"	2144.621597	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+H+Na"	23.996494
"1473329"	722.872697	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H+Na"	23.996494
"1064390"	482.25089	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2H+Na"	25.00377
"1268256"	1454.782386	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+CH3OH+H"	33.033486
"390840"	2882.460958	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+K"	38.963158
"750016"	4304.209858	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+K"	38.963158
"1546598"	1460.712058	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+K"	38.963158
"308149"	1441.734117	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+H+K"	39.970434
"702758"	2152.608567	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+H+K"	39.970434
"1455485"	730.859667	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H+K"	39.970434
"242991"	2885.531626	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+ACN+H"	42.033826
"1216794"	1463.782726	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+ACN+H"	42.033826
"1198493"	732.395001	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+ACN+2H"	43.041102
"193550"	2888.46896	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+2Na-H"	44.97116
"636389"	4310.21786	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+2Na-H"	44.97116
"1139893"	1466.72006	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2Na-H"	44.97116
"184279"	1444.738118	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+2Na"	45.978436
"616184"	2155.612568	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+2Na"	45.978436
"1125159"	733.863668	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2Na"	45.978436
"1406495"	489.578204	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H+2Na"	46.985712
"1440796"	1468.761646	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H+HCOOH"	47.012746
"230492"	1449.77114	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+3H2O+2H"	56.04448
"1515274"	1482.81369	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+IsoProp+H"	61.06479
"414957"	1452.725088	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+Na+K"	61.952376
"774859"	2163.599538	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+Na+K"	61.952376
"1666817"	741.850638	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Na+K"	61.952376
"255525"	2907.513568	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+ACN+Na"	64.015768
"1228235"	1485.764668	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+ACN+Na"	64.015768
"1719319"	1485.788193	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+NH4+HCOOH"	64.039293
"1185766"	496.905518	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+3Na"	68.967654
"1662222"	1490.743588	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Na+HCOOH"	68.994688
"166895"	2920.41684	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+2K-H"	76.91904
"608646"	4342.16574	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+2K-H"	76.91904
"1094250"	1498.66794	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2K-H"	76.91904
"152158"	1460.712058	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"2M+2K"	77.926316
"592814"	2171.586508	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"3M+2K"	77.926316
"1080609"	749.837608	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2K"	77.926316
"1111631"	1500.682492	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2K+H"	78.933592
"1348754"	1500.770107	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+DMSO+H"	79.021207
"1018985"	1504.809276	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2ACN+H"	83.060376
"1537957"	1505.802908	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+IsoProp+Na+H"	84.054008
"1004529"	752.908276	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+2ACN+2H"	84.067652
"1588338"	1506.717528	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+K+HCOOH"	84.968628
"1425662"	1536.749038	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+H+CF3COOH"	115.000138
"1158134"	773.421551	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+3ACN+2H"	125.094202
"1706594"	1553.775585	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+NH4+CF3COOH"	132.026685
"1644431"	1558.73098	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+Na+CF3COOH"	136.98208
"1582270"	1574.70492	"C15482"	"Bacitracin A"	"C66H103N17O16S"	"1421.7489"	"M+K+CF3COOH"	152.95602
"806075"	318.2559	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M"	0
"977419"	299.23751	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"62893"	211.163324	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"503152"	317.248624	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"879958"	105.078024	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"2082"	317.248624	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"452103"	476.376574	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"828811"	158.120674	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"90623"	635.504524	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"531287"	953.760424	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"911230"	317.248624	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"61272"	652.531071	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"499013"	970.786971	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"877184"	334.275171	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"39251"	657.486466	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"479904"	975.742366	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"850046"	339.230566	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1619218"	339.230566	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"98305"	335.236963	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"542242"	494.364913	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"941236"	176.109013	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"282668"	671.481202	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"675171"	989.737102	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1288448"	353.225302	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"31324"	673.460406	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"470378"	991.716306	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"845622"	355.204506	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1570537"	355.204506	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"957566"	363.254094	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"370835"	681.510001	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"356907"	695.525651	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1503552"	377.269751	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"970731"	385.236051	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"121099"	353.225302	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"554100"	512.353252	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1031647"	194.097352	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1241986"	397.174785	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1304677"	399.230772	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1325705"	421.212729	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"916763"	431.241486	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1297845"	467.218164	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1373818"	283.243224	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1390221"	301.2532	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"293188"	637.519076	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"688889"	955.774976	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1360868"	319.263176	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"133753"	319.263176	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"576593"	478.391126	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1046486"	160.135226	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"214387"	213.177876	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"648478"	319.263176	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1162871"	107.092576	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"425126"	654.545623	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"794149"	972.801523	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1695958"	336.289723	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"345542"	327.7764495	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"738332"	486.9043995	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1492472"	168.6484995	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"408151"	659.501018	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"767969"	977.756918	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1617853"	341.245118	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"329387"	330.254147	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"718525"	489.382097	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1471250"	171.126197	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1065590"	114.41989	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1267272"	351.289386	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"390223"	675.474958	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"747939"	993.730858	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1548896"	357.219058	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"309352"	338.241117	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"700682"	497.369067	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1452316"	179.113167	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"246384"	678.545626	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1214719"	360.289726	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1200789"	180.648501	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"199127"	681.48296	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"634312"	999.73886	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1137820"	363.22706	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"176736"	341.245118	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"616298"	500.373068	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1117737"	182.117168	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1403326"	121.747204	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1433254"	365.268646	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"221853"	346.27814	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1511009"	379.32069	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"411058"	349.232088	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"770355"	508.360038	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1666928"	190.104138	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"255640"	700.527568	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1233823"	382.271668	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1720522"	382.295193	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1190251"	129.074518	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1662332"	387.250588	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"169195"	713.43084	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"609849"	1031.68674	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1097642"	395.17494	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"156404"	357.219058	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"596617"	516.347008	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1082907"	198.091108	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1115026"	397.189492	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1350198"	397.277107	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1019940"	401.316276	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1538915"	402.309908	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"996858"	201.161776	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1599018"	403.224528	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1423584"	433.256038	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1150593"	221.675051	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1707799"	450.282585	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1644544"	455.23798	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1582381"	471.21192	"C15484"	"Isopregnanolone;Epiallopregnanolone;3beta-Hydroxy-5alpha-pregnan-20-one"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"806185"	304.1271	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M"	0
"977529"	285.10871	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-H2O-H"	-19.01839
"63058"	201.744124	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M-3H"	-3.021828
"503050"	303.119824	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M-3H"	-3.021828
"880577"	100.368424	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-3H"	-3.021828
"160"	303.119824	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M-2H"	-2.014552
"448930"	455.183374	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M-2H"	-2.014552
"819075"	151.056274	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-2H"	-2.014552
"91584"	607.246924	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M-H"	-1.007276
"531755"	911.374024	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M-H"	-1.007276
"909925"	303.119824	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-H"	-1.007276
"56277"	624.273471	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M-2H+NH4"	16.019271
"499123"	928.400571	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M-2H+NH4"	16.019271
"865991"	320.146371	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-2H+NH4"	16.019271
"36079"	629.228866	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M-2H+Na"	20.974666
"476731"	933.355966	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M-2H+Na"	20.974666
"855627"	325.101766	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-2H+Na"	20.974666
"1619199"	325.101766	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Na-2H"	20.974666
"95498"	321.108163	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M-H+Cl"	33.962126
"536155"	473.171713	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M-H+Cl"	33.962126
"942520"	169.044613	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-H+Cl"	33.962126
"282532"	643.223602	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+Cl"	34.969402
"674631"	947.350702	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+Cl"	34.969402
"1288364"	339.096502	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Cl"	34.969402
"30563"	645.202806	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M-2H+K"	36.948606
"470726"	949.329906	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M-2H+K"	36.948606
"844639"	341.075706	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-2H+K"	36.948606
"1569951"	341.075706	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+K-2H"	36.948606
"951637"	349.125294	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-H+HCOOH"	44.998194
"366572"	653.252401	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+HCOOH-H"	44.998201
"348268"	667.268051	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+Hac-H"	59.013851
"1497100"	363.140951	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Hac-H"	59.013851
"970110"	371.107251	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-H+NaCOOH"	66.980151
"119017"	339.096502	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+2Cl"	69.938804
"557489"	491.160052	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+2Cl"	69.938804
"1030660"	187.032952	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2Cl"	69.938804
"1241615"	383.045985	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Br"	78.918885
"1305035"	385.101972	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Cl+HCOOH"	80.974872
"1324720"	407.083929	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Cl+NaCOOH"	102.956829
"916873"	417.112686	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M-H+CF3COOH"	112.985586
"1297955"	453.089364	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Cl+CF3COOH"	148.962264
"1373928"	269.114424	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H-2H2O"	-35.012676
"1390331"	287.1244	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H-H2O"	-17.0027
"293298"	609.261476	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+H"	1.007276
"688999"	913.388576	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+H"	1.007276
"1364257"	305.134376	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H"	1.007276
"133863"	305.134376	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+2H"	2.014552
"576703"	457.197926	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+2H"	2.014552
"1049513"	153.070826	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2H"	2.014552
"214497"	203.758676	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+3H"	3.021828
"647859"	305.134376	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+3H"	3.021828
"1163428"	102.382976	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+3H"	3.021828
"425237"	626.288023	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+NH4"	18.033823
"794259"	930.415123	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+NH4"	18.033823
"1696191"	322.160923	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+NH4"	18.033823
"345373"	313.6476495	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+H+NH4"	19.041099
"738491"	465.7111995	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+H+NH4"	19.041099
"1492569"	161.5840995	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H+NH4"	19.041099
"404897"	631.243418	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+Na"	22.989218
"765891"	935.370518	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+Na"	22.989218
"1616176"	327.116318	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Na"	22.989218
"327310"	316.125347	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+H+Na"	23.996494
"717542"	468.188897	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+H+Na"	23.996494
"1470268"	164.061797	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H+Na"	23.996494
"1064607"	109.71029	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2H+Na"	25.00377
"1268475"	337.160586	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+CH3OH+H"	33.033486
"388146"	647.217358	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+K"	38.963158
"746952"	951.344458	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+K"	38.963158
"1550099"	343.090258	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+K"	38.963158
"306182"	324.112317	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+H+K"	39.970434
"699699"	476.175867	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+H+K"	39.970434
"1454613"	172.048767	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H+K"	39.970434
"246494"	650.288026	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+ACN+H"	42.033826
"1214829"	346.160926	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+ACN+H"	42.033826
"1199806"	173.584101	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+ACN+2H"	43.041102
"198144"	653.22536	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+2Na-H"	44.97116
"632236"	957.35246	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+2Na-H"	44.97116
"1136837"	349.09826	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2Na-H"	44.97116
"173566"	327.116318	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+2Na"	45.978436
"615679"	479.179868	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+2Na"	45.978436
"1116997"	175.052768	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2Na"	45.978436
"1403436"	117.037604	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H+2Na"	46.985712
"1429942"	351.139846	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H+HCOOH"	47.012746
"222327"	332.14934	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+3H2O+2H"	56.04448
"1511481"	365.19189	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+IsoProp+H"	61.06479
"409707"	335.103288	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+Na+K"	61.952376
"771069"	487.166838	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+Na+K"	61.952376
"1665900"	183.039738	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Na+K"	61.952376
"253562"	672.269968	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+ACN+Na"	64.015768
"1233933"	368.142868	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+ACN+Na"	64.015768
"1720632"	368.166393	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+NH4+HCOOH"	64.039293
"1190361"	124.364918	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+3Na"	68.967654
"1662442"	373.121788	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Na+HCOOH"	68.994688
"168208"	685.17324	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+2K-H"	76.91904
"610685"	989.30034	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+2K-H"	76.91904
"1097749"	381.04614	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2K-H"	76.91904
"155663"	343.090258	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"2M+2K"	77.926316
"596077"	495.153808	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"3M+2K"	77.926316
"1082896"	191.026708	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2K"	77.926316
"1114040"	383.060692	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2K+H"	78.933592
"1350794"	383.148307	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+DMSO+H"	79.021207
"1018964"	387.187476	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2ACN+H"	83.060376
"1539273"	388.181108	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+IsoProp+Na+H"	84.054008
"995874"	194.097376	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+2ACN+2H"	84.067652
"1595846"	389.095728	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+K+HCOOH"	84.968628
"1426973"	419.127238	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+H+CF3COOH"	115.000138
"1150703"	214.610651	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+3ACN+2H"	125.094202
"1707909"	436.153785	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+NH4+CF3COOH"	132.026685
"1644654"	441.10918	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+Na+CF3COOH"	136.98208
"1582491"	457.08312	"C15485"	"2-Deoxymugineic acid"	"C12H20N2O7"	"304.1271"	"M+K+CF3COOH"	152.95602
"806295"	302.1114	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M"	0
"976546"	283.09301	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-H2O-H"	-19.01839
"63688"	200.400324	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M-3H"	-3.021828
"504709"	301.104124	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M-3H"	-3.021828
"885425"	99.696524	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-3H"	-3.021828
"4000"	301.104124	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M-2H"	-2.014552
"450132"	452.159824	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M-2H"	-2.014552
"818091"	150.048424	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-2H"	-2.014552
"91086"	603.215524	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M-H"	-1.007276
"530772"	905.326924	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M-H"	-1.007276
"907118"	301.104124	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-H"	-1.007276
"56387"	620.242071	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M-2H+NH4"	16.019271
"496683"	922.353471	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M-2H+NH4"	16.019271
"864640"	318.130671	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-2H+NH4"	16.019271
"31613"	625.197466	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M-2H+Na"	20.974666
"472469"	927.308866	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M-2H+Na"	20.974666
"849904"	323.086066	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-2H+Na"	20.974666
"1626362"	323.086066	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Na-2H"	20.974666
"96337"	319.092463	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M-H+Cl"	33.962126
"536994"	470.148163	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M-H+Cl"	33.962126
"939267"	168.036763	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-H+Cl"	33.962126
"281345"	639.192202	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+Cl"	34.969402
"672426"	941.303602	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+Cl"	34.969402
"1286536"	337.080802	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Cl"	34.969402
"29456"	641.171406	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M-2H+K"	36.948606
"470108"	943.282806	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M-2H+K"	36.948606
"846938"	339.060006	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-2H+K"	36.948606
"1568969"	339.060006	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+K-2H"	36.948606
"951747"	347.109594	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-H+HCOOH"	44.998194
"365589"	649.221001	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+HCOOH-H"	44.998201
"348378"	663.236651	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+Hac-H"	59.013851
"1497211"	361.125251	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Hac-H"	59.013851
"968034"	369.091551	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-H+NaCOOH"	66.980151
"120951"	337.080802	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+2Cl"	69.938804
"558692"	488.136502	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+2Cl"	69.938804
"1030770"	186.025102	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2Cl"	69.938804
"1241966"	381.030285	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Br"	78.918885
"1308425"	383.086272	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Cl+HCOOH"	80.974872
"1324830"	405.068229	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Cl+NaCOOH"	102.956829
"914796"	415.096986	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M-H+CF3COOH"	112.985586
"1298065"	451.073664	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Cl+CF3COOH"	148.962264
"1374038"	267.098724	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H-2H2O"	-35.012676
"1390441"	285.1087	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H-H2O"	-17.0027
"291221"	605.230076	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+H"	1.007276
"688016"	907.341476	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+H"	1.007276
"1363272"	303.118676	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H"	1.007276
"133973"	303.118676	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+2H"	2.014552
"576813"	454.174376	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+2H"	2.014552
"1046706"	152.062976	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2H"	2.014552
"212420"	202.414876	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+3H"	3.021828
"649790"	303.118676	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+3H"	3.021828
"1163540"	101.711076	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+3H"	3.021828
"425718"	622.256623	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+NH4"	18.033823
"795462"	924.368023	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+NH4"	18.033823
"1696179"	320.145223	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+NH4"	18.033823
"345315"	311.6319495	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+H+NH4"	19.041099
"738340"	462.6876495	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+H+NH4"	19.041099
"1491796"	160.5762495	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H+NH4"	19.041099
"406830"	627.212018	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+Na"	22.989218
"764908"	929.323418	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+Na"	22.989218
"1617382"	325.100618	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Na"	22.989218
"324138"	314.109647	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+H+Na"	23.996494
"717652"	465.165347	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+H+Na"	23.996494
"1472567"	163.053947	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H+Na"	23.996494
"1060345"	109.03839	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2H+Na"	25.00377
"1267490"	335.144886	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+CH3OH+H"	33.033486
"388256"	643.185958	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+K"	38.963158
"747065"	945.297358	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+K"	38.963158
"1546931"	341.074558	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+K"	38.963158
"301922"	322.096617	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+H+K"	39.970434
"699809"	473.152317	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+H+K"	39.970434
"1453630"	171.040917	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H+K"	39.970434
"244418"	646.256626	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+ACN+H"	42.033826
"1213117"	344.145226	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+ACN+H"	42.033826
"1197000"	172.576251	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+ACN+2H"	43.041102
"198254"	649.19396	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+2Na-H"	44.97116
"632346"	951.30536	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+2Na-H"	44.97116
"1135854"	347.08256	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2Na-H"	44.97116
"176956"	325.100618	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+2Na"	45.978436
"613305"	476.156318	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+2Na"	45.978436
"1119295"	174.044918	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2Na"	45.978436
"1403546"	116.365704	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H+2Na"	46.985712
"1430555"	349.124146	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H+HCOOH"	47.012746
"220368"	330.13364	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+3H2O+2H"	56.04448
"1510863"	363.17619	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+IsoProp+H"	61.06479
"410911"	333.087588	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+Na+K"	61.952376
"770450"	484.143288	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+Na+K"	61.952376
"1665926"	182.031888	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Na+K"	61.952376
"252214"	668.238568	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+ACN+Na"	64.015768
"1234043"	366.127168	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+ACN+Na"	64.015768
"1719649"	366.150693	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+NH4+HCOOH"	64.039293
"1189378"	123.693018	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+3Na"	68.967654
"1663281"	371.106088	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Na+HCOOH"	68.994688
"168318"	681.14184	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+2K-H"	76.91904
"610795"	983.25324	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+2K-H"	76.91904
"1095673"	379.03044	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2K-H"	76.91904
"155531"	341.074558	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"2M+2K"	77.926316
"596066"	492.130258	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"3M+2K"	77.926316
"1083740"	190.018858	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2K"	77.926316
"1114638"	381.044992	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2K+H"	78.933592
"1349812"	381.132607	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+DMSO+H"	79.021207
"1018587"	385.171776	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2ACN+H"	83.060376
"1537198"	386.165408	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+IsoProp+Na+H"	84.054008
"993797"	193.089526	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+2ACN+2H"	84.067652
"1594862"	387.080028	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+K+HCOOH"	84.968628
"1422709"	417.111538	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+H+CF3COOH"	115.000138
"1153000"	213.602801	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+3ACN+2H"	125.094202
"1700364"	434.138085	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+NH4+CF3COOH"	132.026685
"1644764"	439.09348	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+Na+CF3COOH"	136.98208
"1582601"	455.06742	"C15486"	"3-Deamino-3-oxonicotianamine"	"C12H18N2O7"	"302.1114"	"M+K+CF3COOH"	152.95602
"809685"	62.0168	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M"	0
"983217"	42.99841	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-H2O-H"	-19.01839
"67084"	40.3372573333333	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M-3H"	-3.021828
"509924"	61.009524	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M-3H"	-3.021828
"884443"	19.6649906666667	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-3H"	-3.021828
"3382"	61.009524	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M-2H"	-2.014552
"451335"	92.017924	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M-2H"	-2.014552
"821481"	30.001124	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-2H"	-2.014552
"92046"	123.026324	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M-H"	-1.007276
"531248"	185.043124	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M-H"	-1.007276
"906501"	61.009524	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-H"	-1.007276
"56497"	140.052871	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M-2H+NH4"	16.019271
"497157"	202.069671	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M-2H+NH4"	16.019271
"867305"	78.036071	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-2H+NH4"	16.019271
"35206"	145.008266	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M-2H+Na"	20.974666
"473673"	207.025066	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M-2H+Na"	20.974666
"851474"	82.991466	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-2H+Na"	20.974666
"1628660"	82.991466	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Na-2H"	20.974666
"97540"	78.997863	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M-H+Cl"	33.962126
"540018"	110.006263	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M-H+Cl"	33.962126
"940470"	47.989463	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-H+Cl"	33.962126
"280118"	159.003002	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+Cl"	34.969402
"669256"	221.019802	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+Cl"	34.969402
"1287496"	96.986202	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Cl"	34.969402
"24217"	160.982206	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M-2H+K"	36.948606
"461590"	222.999006	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M-2H+K"	36.948606
"843766"	98.965406	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-2H+K"	36.948606
"1567985"	98.965406	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+K-2H"	36.948606
"948578"	107.014994	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-H+HCOOH"	44.998194
"365699"	169.031801	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+HCOOH-H"	44.998201
"348848"	183.047451	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+Hac-H"	59.013851
"1494765"	121.030651	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Hac-H"	59.013851
"961213"	128.996951	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-H+NaCOOH"	66.980151
"113037"	96.986202	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+2Cl"	69.938804
"557708"	127.994602	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+2Cl"	69.938804
"1030882"	65.977802	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2Cl"	69.938804
"1243897"	140.935685	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Br"	78.918885
"1314001"	142.991672	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Cl+HCOOH"	80.974872
"1322752"	164.973629	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Cl+NaCOOH"	102.956829
"918186"	175.002386	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M-H+CF3COOH"	112.985586
"1298175"	210.979064	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Cl+CF3COOH"	148.962264
"1370868"	27.004124	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H-2H2O"	-35.012676
"1386177"	45.0141	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H-H2O"	-17.0027
"292422"	125.040876	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+H"	1.007276
"691279"	187.057676	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+H"	1.007276
"1366874"	63.024076	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H"	1.007276
"135176"	63.024076	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+2H"	2.014552
"573642"	94.032476	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+2H"	2.014552
"1043533"	32.015676	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2H"	2.014552
"208516"	42.3518093333333	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+3H"	3.021828
"650994"	63.024076	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+3H"	3.021828
"1168024"	21.6795426666667	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+3H"	3.021828
"424610"	142.067423	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+NH4"	18.033823
"789011"	204.084223	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+NH4"	18.033823
"1696579"	80.050623	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+NH4"	18.033823
"345060"	71.5373495	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+H+NH4"	19.041099
"738294"	102.5457495	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+H+NH4"	19.041099
"1491908"	40.5289495	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H+NH4"	19.041099
"406212"	147.022818	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+Na"	22.989218
"766111"	209.039618	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+Na"	22.989218
"1618185"	85.006018	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Na"	22.989218
"327894"	74.015047	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+H+Na"	23.996494
"717762"	105.023447	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+H+Na"	23.996494
"1472677"	43.006647	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H+Na"	23.996494
"1064828"	29.0068566666667	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2H+Na"	25.00377
"1267600"	95.050286	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+CH3OH+H"	33.033486
"389459"	162.996758	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+K"	38.963158
"749363"	225.013558	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+K"	38.963158
"1547043"	100.979958	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+K"	38.963158
"306405"	82.002017	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+H+K"	39.970434
"703200"	113.010417	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+H+K"	39.970434
"1457020"	50.993617	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H+K"	39.970434
"246714"	166.067426	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+ACN+H"	42.033826
"1216144"	104.050626	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+ACN+H"	42.033826
"1201120"	52.528951	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+ACN+2H"	43.041102
"201280"	169.00476	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+2Na-H"	44.97116
"636829"	231.02156	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+2Na-H"	44.97116
"1135964"	106.98796	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2Na-H"	44.97116
"181442"	85.006018	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+2Na"	45.978436
"613422"	116.014418	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+2Na"	45.978436
"1121592"	53.997618	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2Na"	45.978436
"1403656"	36.3341706666667	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H+2Na"	46.985712
"1439051"	109.029546	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H+HCOOH"	47.012746
"220399"	90.03904	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+3H2O+2H"	56.04448
"1509150"	123.08159	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+IsoProp+H"	61.06479
"409196"	92.992988	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+Na+K"	61.952376
"769971"	124.001388	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+Na+K"	61.952376
"1665671"	61.984588	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Na+K"	61.952376
"252324"	188.049368	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+ACN+Na"	64.015768
"1227347"	126.032568	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+ACN+Na"	64.015768
"1719759"	126.056093	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+NH4+HCOOH"	64.039293
"1191675"	43.6614846666667	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+3Na"	68.967654
"1659380"	131.011488	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Na+HCOOH"	68.994688
"167335"	200.95264	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+2K-H"	76.91904
"610905"	262.96944	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+2K-H"	76.91904
"1097969"	138.93584	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2K-H"	76.91904
"156131"	100.979958	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"2M+2K"	77.926316
"594843"	131.988358	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"3M+2K"	77.926316
"1080328"	69.971558	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2K"	77.926316
"1113899"	140.950392	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2K+H"	78.933592
"1348459"	141.038007	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+DMSO+H"	79.021207
"1014809"	145.077176	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2ACN+H"	83.060376
"1536577"	146.070808	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+IsoProp+Na+H"	84.054008
"992816"	73.042226	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+2ACN+2H"	84.067652
"1587559"	146.985428	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+K+HCOOH"	84.968628
"1414393"	177.016938	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+H+CF3COOH"	115.000138
"1153110"	93.555501	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+3ACN+2H"	125.094202
"1700474"	194.043485	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+NH4+CF3COOH"	132.026685
"1641593"	198.99888	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+Na+CF3COOH"	136.98208
"1582711"	214.97282	"C15488"	"Fluoroacetaldehyde"	"C2H3FO"	"62.0168"	"M+K+CF3COOH"	152.95602
"809795"	924.168	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M"	0
"980047"	905.14961	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-H2O-H"	-19.01839
"66101"	615.104724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M-3H"	-3.021828
"503472"	923.160724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M-3H"	-3.021828
"883460"	307.048724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-3H"	-3.021828
"2034"	923.160724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M-2H"	-2.014552
"450352"	1385.244724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M-2H"	-2.014552
"820498"	461.076724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-2H"	-2.014552
"83772"	1847.328724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M-H"	-1.007276
"530993"	2771.496724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M-H"	-1.007276
"908433"	923.160724	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-H"	-1.007276
"56607"	1864.355271	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M-2H+NH4"	16.019271
"498360"	2788.523271	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M-2H+NH4"	16.019271
"869602"	940.187271	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-2H+NH4"	16.019271
"33734"	1869.310666	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M-2H+Na"	20.974666
"480343"	2793.478666	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M-2H+Na"	20.974666
"857051"	945.142666	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-2H+Na"	20.974666
"1627677"	945.142666	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Na-2H"	20.974666
"97648"	941.149063	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M-H+Cl"	33.962126
"537941"	1403.233063	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M-H+Cl"	33.962126
"938389"	479.065063	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-H+Cl"	33.962126
"278038"	1883.305402	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+Cl"	34.969402
"669366"	2807.473402	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+Cl"	34.969402
"1287118"	959.137402	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Cl"	34.969402
"24327"	1885.284606	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M-2H+K"	36.948606
"463886"	2809.452606	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M-2H+K"	36.948606
"842783"	961.116606	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-2H+K"	36.948606
"1564084"	961.116606	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+K-2H"	36.948606
"948688"	969.166194	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-H+HCOOH"	44.998194
"365808"	1893.334201	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+HCOOH-H"	44.998201
"347505"	1907.349851	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+Hac-H"	59.013851
"1497429"	983.181851	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Hac-H"	59.013851
"961690"	991.148151	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-H+NaCOOH"	66.980151
"113511"	959.137402	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+2Cl"	69.938804
"560002"	1421.221402	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+2Cl"	69.938804
"1032083"	497.053402	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2Cl"	69.938804
"1251664"	1003.086885	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Br"	78.918885
"1315205"	1005.142872	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Cl+HCOOH"	80.974872
"1328329"	1027.124829	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Cl+NaCOOH"	102.956829
"916108"	1037.153586	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M-H+CF3COOH"	112.985586
"1298285"	1073.130264	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Cl+CF3COOH"	148.962264
"1377538"	889.155324	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H-2H2O"	-35.012676
"1390660"	907.1653	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H-H2O"	-17.0027
"292532"	1849.343276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+H"	1.007276
"691280"	2773.511276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+H"	1.007276
"1362397"	925.175276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H"	1.007276
"138565"	925.175276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+2H"	2.014552
"574845"	1387.259276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+2H"	2.014552
"1045829"	463.091276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2H"	2.014552
"207169"	617.119276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+3H"	3.021828
"654383"	925.175276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+3H"	3.021828
"1168134"	309.063276	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+3H"	3.021828
"424256"	1866.369823	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+NH4"	18.033823
"789121"	2790.537823	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+NH4"	18.033823
"1696727"	942.201823	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+NH4"	18.033823
"345583"	933.6885495	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+H+NH4"	19.041099
"738079"	1395.7725495	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+H+NH4"	19.041099
"1492463"	471.6045495	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H+NH4"	19.041099
"404135"	1871.325218	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+Na"	22.989218
"768044"	2795.493218	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+Na"	22.989218
"1618137"	947.157218	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Na"	22.989218
"326544"	936.166247	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+H+Na"	23.996494
"717872"	1398.250247	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+H+Na"	23.996494
"1472788"	474.082247	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H+Na"	23.996494
"1063845"	316.39059	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2H+Na"	25.00377
"1271724"	957.201486	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+CH3OH+H"	33.033486
"387386"	1887.299158	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+K"	38.963158
"749473"	2811.467158	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+K"	38.963158
"1551525"	963.131158	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+K"	38.963158
"305420"	944.153217	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+H+K"	39.970434
"701121"	1406.237217	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+H+K"	39.970434
"1457130"	482.069217	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H+K"	39.970434
"248646"	1890.369826	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+ACN+H"	42.033826
"1216253"	966.201826	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+ACN+H"	42.033826
"1197949"	483.604551	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+ACN+2H"	43.041102
"200297"	1893.30716	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+2Na-H"	44.97116
"636939"	2817.47516	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+2Na-H"	44.97116
"1139354"	969.13916	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2Na-H"	44.97116
"182644"	947.157218	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+2Na"	45.978436
"623295"	1409.241218	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+2Na"	45.978436
"1121702"	485.073218	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2Na"	45.978436
"1409233"	323.717904	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H+2Na"	46.985712
"1438067"	971.180746	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H+HCOOH"	47.012746
"220065"	952.19024	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+3H2O+2H"	56.04448
"1509017"	985.23279	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+IsoProp+H"	61.06479
"408945"	955.144188	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+Na+K"	61.952376
"770014"	1417.228188	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+Na+K"	61.952376
"1665658"	493.060188	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Na+K"	61.952376
"251948"	1912.351768	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+ACN+Na"	64.015768
"1229522"	988.183768	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+ACN+Na"	64.015768
"1723148"	988.207293	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+NH4+HCOOH"	64.039293
"1193244"	331.045218	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+3Na"	68.967654
"1660583"	993.162688	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Na+HCOOH"	68.994688
"168538"	1925.25504	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+2K-H"	76.91904
"611379"	2849.42304	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+2K-H"	76.91904
"1096986"	1001.08704	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2K-H"	76.91904
"156722"	963.131158	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"2M+2K"	77.926316
"597028"	1425.215158	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"3M+2K"	77.926316
"1084145"	501.047158	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2K"	77.926316
"1113277"	1003.101592	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2K+H"	78.933592
"1350153"	1003.189207	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+DMSO+H"	79.021207
"1019286"	1007.228376	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2ACN+H"	83.060376
"1537413"	1008.222008	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+IsoProp+Na+H"	84.054008
"991225"	504.117826	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+2ACN+2H"	84.067652
"1589979"	1009.136628	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+K+HCOOH"	84.968628
"1416490"	1039.168138	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+H+CF3COOH"	115.000138
"1152127"	524.631101	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+3ACN+2H"	125.094202
"1703864"	1056.194685	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+NH4+CF3COOH"	132.026685
"1642796"	1061.15008	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+Na+CF3COOH"	136.98208
"1582821"	1077.12402	"C15489"	"S-2-(Indol-3-yl)acetyl-CoA"	"C31H43N8O17P3S"	"924.168"	"M+K+CF3COOH"	152.95602
"809905"	288.2453	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M"	0
"976877"	269.22691	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"66211"	191.156257333333	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"503946"	287.238024	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"883570"	95.0744906666666	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"4330"	287.238024	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"449369"	431.360674	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"818421"	143.115374	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"80233"	575.483324	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"532196"	863.728624	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"908907"	287.238024	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"55624"	592.509871	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"498470"	880.755171	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"870805"	304.264571	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"33239"	597.465266	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"481547"	885.710566	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"856067"	309.219966	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1629974"	309.219966	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"98851"	305.226363	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"537687"	449.349013	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"939593"	161.103713	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"278148"	611.460002	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"670570"	899.705302	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1287349"	323.214702	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"24437"	613.439206	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"463996"	901.684506	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"845080"	325.193906	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1564194"	325.193906	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"950985"	333.243494	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"365918"	621.488801	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"348343"	635.504451	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1497539"	347.259151	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"961800"	355.225451	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"112165"	323.214702	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"553550"	467.337352	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1026724"	179.092052	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1249588"	367.164185	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1313128"	369.220172	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1322971"	391.202129	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"917311"	401.230886	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1295114"	437.207564	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1377648"	253.232624	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1387491"	271.2426	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"289362"	577.497876	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"686159"	865.743176	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1362507"	289.252576	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"135395"	289.252576	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"570579"	433.375226	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1044846"	145.129926	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"207279"	193.170809333333	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"653400"	289.252576	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1164964"	97.0890426666667	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"424296"	594.524423	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"789231"	882.769723	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1696935"	306.279123	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"345568"	297.7658495	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"738149"	441.8884995	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1490303"	153.6431995	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"404245"	599.479818	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"768154"	887.725118	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1617588"	311.234518	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"327747"	300.243547	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"717982"	444.366197	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1469618"	156.120897	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1063955"	104.416356666667	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1271467"	321.278786	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"385302"	615.453758	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"751041"	903.699058	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1550543"	327.208458	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"303344"	308.230517	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"700138"	452.353167	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1453960"	164.107867	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"246934"	618.524426	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1214176"	330.279126	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1198059"	165.643201	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"197491"	621.46176	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"638143"	909.70706	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1137277"	333.21646	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"180567"	311.234518	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"623406"	455.357168	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1119625"	167.111868	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1406063"	111.743670666667	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1438177"	335.258046	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"220946"	316.26754	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1508886"	349.31009	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"408805"	319.221488	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"770162"	463.344138	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1666133"	175.098838	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"251693"	640.506368	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1229997"	352.261068	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1718883"	352.284593	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1190801"	119.070984666667	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1660693"	357.239988	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"167555"	653.40964	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"602741"	941.65494	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1097096"	365.16434	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"155739"	327.208458	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"593476"	471.331108	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1083579"	183.085808	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1113385"	367.178892	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1348677"	367.266507	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1020491"	371.305676	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1539466"	372.299308	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"991092"	186.156476	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1589727"	373.213928	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1416480"	403.245438	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1152237"	206.669751	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1703974"	420.271985	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1641813"	425.22738	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1582931"	441.20132	"C15492"	"all-trans-1314-Dihydroretinol;1314-Dihydroretinol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"810015"	300.2089	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M"	0
"975893"	281.19051	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"64498"	199.131990666667	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"504057"	299.201624	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"881858"	99.0623573333333	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"3346"	299.201624	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"448386"	449.306074	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"819624"	149.097174	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"79736"	599.410524	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"530849"	899.619424	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"908289"	299.201624	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"55734"	616.437071	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"498216"	916.645971	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"869823"	316.228171	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"37724"	621.392466	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"472910"	921.601366	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"853991"	321.183566	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1626804"	321.183566	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"96775"	317.189963	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"538888"	467.294413	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"938609"	167.085513	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"278258"	635.387202	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"669587"	935.596102	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1286366"	335.178302	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"22360"	637.366406	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"464108"	937.575306	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"840816"	337.157506	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1564302"	337.157506	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"952188"	345.207094	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"369308"	645.416001	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"349913"	659.431651	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1496555"	359.222751	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"961546"	367.189051	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"111911"	335.178302	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"553660"	485.282752	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1026834"	185.073852	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1251885"	379.127785	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1315426"	381.183772	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1325268"	403.165729	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"917423"	413.194486	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1298504"	449.171164	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1379945"	265.196224	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1387601"	283.2062	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"289472"	601.425076	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"685176"	901.633976	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1362617"	301.216176	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"135505"	301.216176	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"571782"	451.320626	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1046050"	151.111726	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"207389"	201.146542666667	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"651323"	301.216176	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1167261"	101.076909333333	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"424572"	618.451623	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"788248"	918.660523	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1696383"	318.242723	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"345575"	309.7294495	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"737937"	459.8338995	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1491389"	159.6249995	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"405084"	623.407018	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"768631"	923.615918	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1617821"	323.198118	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"326400"	312.207147	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"718093"	462.311597	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1471915"	162.102697	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1062973"	108.404223333333	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1270119"	333.242386	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"388694"	639.380958	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"751879"	939.589858	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1551745"	339.172058	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"302360"	320.194117	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"698063"	470.298567	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1454070"	170.089667	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"245950"	642.451626	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1215745"	342.242726	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1196347"	171.625001	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"195414"	645.38896	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"634972"	945.59786	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1137387"	345.18006	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"179584"	323.198118	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"621329"	473.302568	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1119735"	173.093668	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1403986"	115.731537333333	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1436100"	347.221646	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"220016"	328.23114	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1508830"	361.27369	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"408674"	331.185088	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"769962"	481.289538	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1666850"	181.080638	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"251447"	664.433568	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1230107"	364.224668	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1714253"	364.248193	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1190911"	123.058851333333	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1657523"	369.203588	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"168758"	677.33684	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"602851"	977.54574	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1097205"	377.12794	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"150743"	339.172058	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"591397"	489.276508	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1078095"	189.067608	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1113496"	379.142492	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1347694"	379.230107	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1020600"	383.269276	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1539088"	384.262908	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"996428"	192.138276	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1590930"	385.177528	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1420963"	415.209038	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1153441"	212.651551	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1704084"	432.235585	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1641923"	437.19098	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1583041"	453.16492	"C15493"	"9-cis-Retinoic acid"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"810125"	322.2144	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M"	0
"983657"	303.19601	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-H2O-H"	-19.01839
"72992"	213.802324	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M-3H"	-3.021828
"512552"	321.207124	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M-3H"	-3.021828
"884886"	106.397524	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-3H"	-3.021828
"8927"	321.207124	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M-2H"	-2.014552
"449589"	482.314324	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M-2H"	-2.014552
"819734"	160.099924	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-2H"	-2.014552
"86287"	643.421524	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M-H"	-1.007276
"531324"	965.635924	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M-H"	-1.007276
"907304"	321.207124	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-H"	-1.007276
"54751"	660.448071	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M-2H+NH4"	16.019271
"500513"	982.662471	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M-2H+NH4"	16.019271
"869933"	338.233671	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-2H+NH4"	16.019271
"34553"	665.403466	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M-2H+Na"	20.974666
"472047"	987.617866	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M-2H+Na"	20.974666
"854102"	343.189066	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-2H+Na"	20.974666
"1625821"	343.189066	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Na-2H"	20.974666
"95059"	339.195463	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M-H+Cl"	33.962126
"539728"	500.302663	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M-H+Cl"	33.962126
"933248"	178.088263	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-H+Cl"	33.962126
"269614"	679.398202	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+Cl"	34.969402
"668604"	1001.612602	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+Cl"	34.969402
"1284289"	357.183802	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Cl"	34.969402
"24657"	681.377406	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M-2H+K"	36.948606
"458748"	1003.591806	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M-2H+K"	36.948606
"839832"	359.163006	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-2H+K"	36.948606
"1565506"	359.163006	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+K-2H"	36.948606
"951205"	367.212594	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-H+HCOOH"	44.998194
"368326"	689.427001	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+HCOOH-H"	44.998201
"351116"	703.442651	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+Hac-H"	59.013851
"1494479"	381.228251	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Hac-H"	59.013851
"960928"	389.194551	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-H+NaCOOH"	66.980151
"111656"	357.183802	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+2Cl"	69.938804
"552677"	518.291002	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+2Cl"	69.938804
"1022197"	196.076602	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2Cl"	69.938804
"1251995"	401.133285	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Br"	78.918885
"1310068"	403.189272	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Cl+HCOOH"	80.974872
"1328658"	425.171229	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Cl+NaCOOH"	102.956829
"913521"	435.199986	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M-H+CF3COOH"	112.985586
"1292053"	471.176664	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Cl+CF3COOH"	148.962264
"1369484"	287.201724	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H-2H2O"	-35.012676
"1384430"	305.2117	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H-H2O"	-17.0027
"288488"	645.436076	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+H"	1.007276
"679815"	967.650476	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+H"	1.007276
"1359446"	323.221676	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H"	1.007276
"135615"	323.221676	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+2H"	2.014552
"571892"	484.328876	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+2H"	2.014552
"1039598"	162.114476	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2H"	2.014552
"207499"	215.816876	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+3H"	3.021828
"645235"	323.221676	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+3H"	3.021828
"1163598"	108.412076	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+3H"	3.021828
"425048"	662.462623	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+NH4"	18.033823
"786407"	984.677023	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+NH4"	18.033823
"1696374"	340.248223	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+NH4"	18.033823
"344776"	331.7349495	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+H+NH4"	19.041099
"736709"	492.8421495	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+H+NH4"	19.041099
"1491134"	170.6277495	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H+NH4"	19.041099
"401914"	667.418018	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+Na"	22.989218
"769230"	989.632418	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+Na"	22.989218
"1617330"	345.203618	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Na"	22.989218
"327241"	334.212647	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+H+Na"	23.996494
"718933"	495.319847	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+H+Na"	23.996494
"1472025"	173.105447	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H+Na"	23.996494
"1065270"	115.73939	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2H+Na"	25.00377
"1271811"	355.247886	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+CH3OH+H"	33.033486
"387711"	683.391958	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+K"	38.963158
"750535"	1005.606358	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+K"	38.963158
"1549670"	361.177558	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+K"	38.963158
"311217"	342.199617	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+H+K"	39.970434
"698173"	503.306817	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+H+K"	39.970434
"1454180"	181.092417	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H+K"	39.970434
"246060"	686.462626	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+ACN+H"	42.033826
"1211117"	364.248226	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+ACN+H"	42.033826
"1196457"	182.627751	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+ACN+2H"	43.041102
"199169"	689.39996	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+2Na-H"	44.97116
"639823"	1011.61436	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+2Na-H"	44.97116
"1135309"	367.18556	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2Na-H"	44.97116
"180786"	345.203618	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+2Na"	45.978436
"623262"	506.310818	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+2Na"	45.978436
"1120571"	184.096418	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2Na"	45.978436
"1404096"	123.066704	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H+2Na"	46.985712
"1439490"	369.227146	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H+HCOOH"	47.012746
"222625"	350.23664	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+3H2O+2H"	56.04448
"1510687"	383.27919	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+IsoProp+H"	61.06479
"408791"	353.190588	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+Na+K"	61.952376
"771368"	514.297788	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+Na+K"	61.952376
"1666361"	192.083388	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Na+K"	61.952376
"251785"	708.444568	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+ACN+Na"	64.015768
"1231310"	386.230168	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+ACN+Na"	64.015768
"1713998"	386.253693	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+NH4+HCOOH"	64.039293
"1185553"	130.394018	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+3Na"	68.967654
"1657633"	391.209088	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Na+HCOOH"	68.994688
"168868"	721.34784	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+2K-H"	76.91904
"604054"	1043.56224	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+2K-H"	76.91904
"1095127"	399.13344	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2K-H"	76.91904
"154134"	361.177558	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"2M+2K"	77.926316
"592601"	522.284758	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"3M+2K"	77.926316
"1077112"	200.070358	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2K"	77.926316
"1110326"	401.147992	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2K+H"	78.933592
"1348534"	401.235607	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+DMSO+H"	79.021207
"1019132"	405.274776	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2ACN+H"	83.060376
"1534464"	406.268408	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+IsoProp+Na+H"	84.054008
"994350"	203.141026	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+2ACN+2H"	84.067652
"1591040"	407.183028	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+K+HCOOH"	84.968628
"1419980"	437.214538	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+H+CF3COOH"	115.000138
"1156830"	223.654301	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+3ACN+2H"	125.094202
"1699819"	454.241085	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+NH4+CF3COOH"	132.026685
"1645313"	459.19648	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+Na+CF3COOH"	136.98208
"1583151"	475.17042	"C15494"	"Decylubiquinone;6-Decylubiquinone;23-Dimethoxy-5-methyl-6-decyl-14-benzoquinone"	"C19H30O4"	"322.2144"	"M+K+CF3COOH"	152.95602
"810235"	324.2301	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M"	0
"983767"	305.21171	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-H2O-H"	-19.01839
"75290"	215.146124	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M-3H"	-3.021828
"512663"	323.222824	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M-3H"	-3.021828
"887184"	107.069424	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-3H"	-3.021828
"7945"	323.222824	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M-2H"	-2.014552
"449699"	485.337874	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M-2H"	-2.014552
"820940"	161.107774	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-2H"	-2.014552
"86399"	647.452924	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M-H"	-1.007276
"531070"	971.683024	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M-H"	-1.007276
"905955"	323.222824	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-H"	-1.007276
"52675"	664.479471	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M-2H+NH4"	16.019271
"501716"	988.709571	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M-2H+NH4"	16.019271
"871137"	340.249371	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-2H+NH4"	16.019271
"36851"	669.434866	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M-2H+Na"	20.974666
"478597"	993.664966	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M-2H+Na"	20.974666
"855306"	345.204766	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-2H+Na"	20.974666
"1621558"	345.204766	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Na-2H"	20.974666
"98086"	341.211163	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M-H+Cl"	33.962126
"539838"	503.326213	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M-H+Cl"	33.962126
"938825"	179.096113	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-H+Cl"	33.962126
"275194"	683.429602	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+Cl"	34.969402
"665428"	1007.659702	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+Cl"	34.969402
"1286466"	359.199502	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Cl"	34.969402
"26953"	685.408806	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M-2H+K"	36.948606
"462139"	1009.638906	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M-2H+K"	36.948606
"842128"	361.178706	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-2H+K"	36.948606
"1565615"	361.178706	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+K-2H"	36.948606
"954596"	369.228294	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-H+HCOOH"	44.998194
"368436"	693.458401	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+HCOOH-H"	44.998201
"356693"	707.474051	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+Hac-H"	59.013851
"1494589"	383.243951	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Hac-H"	59.013851
"963225"	391.210251	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-H+NaCOOH"	66.980151
"111763"	359.199502	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+2Cl"	69.938804
"556068"	521.314552	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+2Cl"	69.938804
"1023043"	197.084452	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2Cl"	69.938804
"1256479"	403.148985	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Br"	78.918885
"1317832"	405.204972	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Cl+HCOOH"	80.974872
"1333872"	427.186929	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Cl+NaCOOH"	102.956829
"922015"	437.215686	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M-H+CF3COOH"	112.985586
"1298722"	473.192364	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Cl+CF3COOH"	148.962264
"1377977"	289.217424	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H-2H2O"	-35.012676
"1394380"	307.2274	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H-H2O"	-17.0027
"290785"	649.467476	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+H"	1.007276
"686487"	973.697576	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+H"	1.007276
"1359556"	325.237376	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H"	1.007276
"134632"	325.237376	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+2H"	2.014552
"573096"	487.352426	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+2H"	2.014552
"1038615"	163.122326	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2H"	2.014552
"207609"	217.160676	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+3H"	3.021828
"645103"	325.237376	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+3H"	3.021828
"1163465"	109.083976	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+3H"	3.021828
"424793"	666.494023	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+NH4"	18.033823
"786760"	990.724123	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+NH4"	18.033823
"1696725"	342.263923	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+NH4"	18.033823
"344889"	333.7506495	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+H+NH4"	19.041099
"737549"	495.8656995	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+H+NH4"	19.041099
"1491006"	171.6355995	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H+NH4"	19.041099
"404576"	671.449418	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+Na"	22.989218
"768730"	995.679518	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+Na"	22.989218
"1618044"	347.219318	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Na"	22.989218
"324799"	336.228347	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+H+Na"	23.996494
"720380"	498.343397	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+H+Na"	23.996494
"1472135"	174.113297	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H+Na"	23.996494
"1068379"	116.41129	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2H+Na"	25.00377
"1272291"	357.263586	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+CH3OH+H"	33.033486
"392321"	687.423358	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+K"	38.963158
"752831"	1011.653458	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+K"	38.963158
"1551967"	363.193258	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+K"	38.963158
"312419"	344.215317	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+H+K"	39.970434
"702656"	506.330367	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+H+K"	39.970434
"1459029"	182.100267	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H+K"	39.970434
"249088"	690.494026	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+ACN+H"	42.033826
"1219974"	366.263926	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+ACN+H"	42.033826
"1198390"	183.635601	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+ACN+2H"	43.041102
"199644"	693.43136	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+2Na-H"	44.97116
"641026"	1017.66146	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+2Na-H"	44.97116
"1136514"	369.20126	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2Na-H"	44.97116
"180897"	347.219318	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+2Na"	45.978436
"623738"	509.334368	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+2Na"	45.978436
"1118495"	185.104268	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2Na"	45.978436
"1405300"	123.738604	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H+2Na"	46.985712
"1438508"	371.242846	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H+HCOOH"	47.012746
"226015"	352.25234	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+3H2O+2H"	56.04448
"1510795"	385.29489	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+IsoProp+H"	61.06479
"408900"	355.206288	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+Na+K"	61.952376
"770140"	517.321338	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+Na+K"	61.952376
"1667441"	193.091238	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Na+K"	61.952376
"252137"	712.475968	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+ACN+Na"	64.015768
"1226317"	388.245868	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+ACN+Na"	64.015768
"1712890"	388.269393	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+NH4+HCOOH"	64.039293
"1185663"	131.065918	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+3Na"	68.967654
"1657743"	393.224788	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Na+HCOOH"	68.994688
"165698"	725.37924	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+2K-H"	76.91904
"604164"	1049.60934	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+2K-H"	76.91904
"1094145"	401.14914	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2K-H"	76.91904
"154244"	363.193258	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"2M+2K"	77.926316
"592711"	525.308308	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"3M+2K"	77.926316
"1082326"	201.078208	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2K"	77.926316
"1112623"	403.163692	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2K+H"	78.933592
"1346098"	403.251307	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+DMSO+H"	79.021207
"1019001"	407.290476	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2ACN+H"	83.060376
"1536397"	408.284108	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+IsoProp+Na+H"	84.054008
"998833"	204.148876	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+2ACN+2H"	84.067652
"1590057"	409.198728	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+K+HCOOH"	84.968628
"1420090"	439.230238	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+H+CF3COOH"	115.000138
"1153659"	224.662151	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+3ACN+2H"	125.094202
"1702116"	456.256785	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+NH4+CF3COOH"	132.026685
"1645423"	461.21218	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+Na+CF3COOH"	136.98208
"1583261"	477.18612	"C15495"	"Decylubiquinol;6-Decylubiquinol;2-Decyl-56-dimethoxy-3-methyl-14-benzenediol"	"C19H32O4"	"324.2301"	"M+K+CF3COOH"	152.95602
"803785"	256.1059	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M"	0
"977317"	237.08751	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-H2O-H"	-19.01839
"68837"	169.729990666667	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M-3H"	-3.021828
"507305"	255.098624	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M-3H"	-3.021828
"882919"	84.3613573333333	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-3H"	-3.021828
"11713"	255.098624	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M-2H"	-2.014552
"449810"	383.151574	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M-2H"	-2.014552
"827611"	127.045674	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-2H"	-2.014552
"82506"	511.204524	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M-H"	-1.007276
"523160"	767.310424	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M-H"	-1.007276
"898410"	255.098624	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-H"	-1.007276
"56071"	528.231071	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M-2H+NH4"	16.019271
"492350"	784.336971	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M-2H+NH4"	16.019271
"872339"	272.125171	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-2H+NH4"	16.019271
"33071"	533.186466	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M-2H+Na"	20.974666
"476520"	789.292366	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M-2H+Na"	20.974666
"855415"	277.080566	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-2H+Na"	20.974666
"1618869"	277.080566	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Na-2H"	20.974666
"100388"	273.086963	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M-H+Cl"	33.962126
"546519"	401.139913	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M-H+Cl"	33.962126
"938936"	145.034013	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-H+Cl"	33.962126
"274212"	547.181202	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+Cl"	34.969402
"674057"	803.287102	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+Cl"	34.969402
"1286334"	291.075302	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Cl"	34.969402
"29251"	549.160406	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M-2H+K"	36.948606
"462249"	805.266306	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M-2H+K"	36.948606
"842238"	293.054506	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-2H+K"	36.948606
"1565727"	293.054506	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+K-2H"	36.948606
"954706"	301.104094	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-H+HCOOH"	44.998194
"372557"	557.210001	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+HCOOH-H"	44.998201
"355709"	571.225651	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+Hac-H"	59.013851
"1506004"	315.119751	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Hac-H"	59.013851
"966616"	323.086051	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-H+NaCOOH"	66.980151
"122088"	291.075302	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+2Cl"	69.938804
"556178"	419.128252	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+2Cl"	69.938804
"1026078"	163.022352	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2Cl"	69.938804
"1254402"	335.024785	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Br"	78.918885
"1314663"	337.080772	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Cl+HCOOH"	80.974872
"1323414"	359.062729	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Cl+NaCOOH"	102.956829
"914471"	369.091486	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M-H+CF3COOH"	112.985586
"1295554"	405.068164	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Cl+CF3COOH"	148.962264
"1378088"	221.093224	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H-2H2O"	-35.012676
"1391211"	239.1032	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H-H2O"	-17.0027
"291990"	513.219076	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+H"	1.007276
"685505"	769.324976	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+H"	1.007276
"1366637"	257.113176	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H"	1.007276
"135836"	257.113176	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+2H"	2.014552
"575396"	385.166126	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+2H"	2.014552
"1049663"	129.060226	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2H"	2.014552
"216468"	171.744542666667	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+3H"	3.021828
"647280"	257.113176	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+3H"	3.021828
"1163700"	86.3759093333334	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+3H"	3.021828
"424500"	530.245623	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+NH4"	18.033823
"800253"	786.351523	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+NH4"	18.033823
"1696470"	274.139723	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+NH4"	18.033823
"345120"	265.6264495	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+H+NH4"	19.041099
"738264"	393.6793995	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+H+NH4"	19.041099
"1491113"	137.5734995	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H+NH4"	19.041099
"404686"	535.201018	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+Na"	22.989218
"764588"	791.306918	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+Na"	22.989218
"1617791"	279.095118	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Na"	22.989218
"329652"	268.104147	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+H+Na"	23.996494
"715145"	396.157097	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+H+Na"	23.996494
"1476746"	140.051197	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H+Na"	23.996494
"1068335"	93.7032233333333	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2H+Na"	25.00377
"1272320"	289.139386	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+CH3OH+H"	33.033486
"391583"	551.174958	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+K"	38.963158
"751116"	807.280858	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+K"	38.963158
"1554991"	295.069058	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+K"	38.963158
"310347"	276.091117	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+H+K"	39.970434
"701675"	404.144067	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+H+K"	39.970434
"1455494"	148.038167	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H+K"	39.970434
"240818"	554.245626	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+ACN+H"	42.033826
"1211702"	298.139726	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+ACN+H"	42.033826
"1198500"	149.573501	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+ACN+2H"	43.041102
"199024"	557.18296	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+2Na-H"	44.97116
"632023"	813.28886	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+2Na-H"	44.97116
"1134436"	301.07706	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2Na-H"	44.97116
"179913"	279.095118	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+2Na"	45.978436
"614735"	407.148068	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+2Na"	45.978436
"1120791"	151.042168	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2Na"	45.978436
"1404315"	101.030537333333	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H+2Na"	46.985712
"1431203"	303.118646	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H+HCOOH"	47.012746
"221141"	284.12814	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+3H2O+2H"	56.04448
"1509444"	317.17069	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+IsoProp+H"	61.06479
"409616"	287.082088	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+Na+K"	61.952376
"770854"	415.135038	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+Na+K"	61.952376
"1666335"	159.029138	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Na+K"	61.952376
"253716"	576.227568	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+ACN+Na"	64.015768
"1229345"	320.121668	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+ACN+Na"	64.015768
"1727711"	320.145193	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+NH4+HCOOH"	64.039293
"1192336"	108.357851333333	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+3Na"	68.967654
"1658947"	325.100588	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Na+HCOOH"	68.994688
"163621"	589.13084	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+2K-H"	76.91904
"609743"	845.23674	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+2K-H"	76.91904
"1093164"	333.02494	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2K-H"	76.91904
"153627"	295.069058	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"2M+2K"	77.926316
"592820"	423.122008	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"3M+2K"	77.926316
"1079524"	167.016108	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2K"	77.926316
"1110546"	335.039492	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2K+H"	78.933592
"1344744"	335.127107	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+DMSO+H"	79.021207
"1018015"	339.166276	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2ACN+H"	83.060376
"1525935"	340.159908	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+IsoProp+Na+H"	84.054008
"992382"	170.086776	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+2ACN+2H"	84.067652
"1595632"	341.074528	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+K+HCOOH"	84.968628
"1416921"	371.106038	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+H+CF3COOH"	115.000138
"1157051"	190.600051	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+3ACN+2H"	125.094202
"1704418"	388.132585	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+NH4+CF3COOH"	132.026685
"1647722"	393.08798	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+Na+CF3COOH"	136.98208
"1583372"	409.06192	"C15497"	"1-(beta-D-Ribofuranosyl)-14-dihydronicotinamide;Reduced nicotinamide riboside"	"C11H16N2O5"	"256.1059"	"M+K+CF3COOH"	152.95602
"803896"	100.0524	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M"	0
"977791"	81.03401	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-H2O-H"	-19.01839
"67126"	65.694324	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M-3H"	-3.021828
"509602"	99.045124	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M-3H"	-3.021828
"891786"	32.343524	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-3H"	-3.021828
"13641"	99.045124	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M-2H"	-2.014552
"451015"	149.071324	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M-2H"	-2.014552
"826636"	49.018924	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-2H"	-2.014552
"86627"	199.097524	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M-H"	-1.007276
"523997"	299.149924	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M-H"	-1.007276
"907274"	99.045124	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-H"	-1.007276
"50714"	216.124071	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M-2H+NH4"	16.019271
"487126"	316.176471	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M-2H+NH4"	16.019271
"864665"	116.071671	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-2H+NH4"	16.019271
"33789"	221.079466	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M-2H+Na"	20.974666
"477723"	321.131866	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M-2H+Na"	20.974666
"848711"	121.027066	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-2H+Na"	20.974666
"1623969"	121.027066	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Na-2H"	20.974666
"108038"	117.033463	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M-H+Cl"	33.962126
"545535"	167.059663	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M-H+Cl"	33.962126
"939047"	67.007263	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-H+Cl"	33.962126
"282355"	235.074202	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+Cl"	34.969402
"674773"	335.126602	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+Cl"	34.969402
"1287783"	135.021802	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Cl"	34.969402
"27174"	237.053406	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M-2H+K"	36.948606
"464547"	337.105806	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M-2H+K"	36.948606
"847091"	137.001006	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-2H+K"	36.948606
"1570582"	137.001006	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+K-2H"	36.948606
"958224"	145.050594	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-H+HCOOH"	44.998194
"372669"	245.103001	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+HCOOH-H"	44.998201
"361386"	259.118651	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+Hac-H"	59.013851
"1503927"	159.066251	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Hac-H"	59.013851
"973829"	167.032551	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-H+NaCOOH"	66.980151
"125479"	135.021802	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+2Cl"	69.938804
"558483"	185.048002	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+2Cl"	69.938804
"1026189"	84.995602	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2Cl"	69.938804
"1247953"	178.971285	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Br"	78.918885
"1312589"	181.027272	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Cl+HCOOH"	80.974872
"1322794"	203.009229	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Cl+NaCOOH"	102.956829
"911665"	213.037986	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M-H+CF3COOH"	112.985586
"1292383"	249.014664	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Cl+CF3COOH"	148.962264
"1378199"	65.039724	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H-2H2O"	-35.012676
"1388040"	83.0497	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H-H2O"	-17.0027
"292100"	201.112076	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+H"	1.007276
"686709"	301.164476	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+H"	1.007276
"1360870"	101.059676	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H"	1.007276
"135946"	101.059676	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+2H"	2.014552
"580780"	151.085876	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+2H"	2.014552
"1052374"	51.033476	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2H"	2.014552
"217310"	67.708876	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+3H"	3.021828
"651765"	101.059676	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+3H"	3.021828
"1173172"	34.358076	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+3H"	3.021828
"439910"	218.138623	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+NH4"	18.033823
"800733"	318.191023	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+NH4"	18.033823
"1695241"	118.086223	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+NH4"	18.033823
"343885"	109.5729495	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+H+NH4"	19.041099
"737764"	159.5991495	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+H+NH4"	19.041099
"1489395"	59.5467495	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H+NH4"	19.041099
"403702"	223.094018	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+Na"	22.989218
"765792"	323.146418	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+Na"	22.989218
"1614984"	123.041618	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Na"	22.989218
"321739"	112.050647	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+H+Na"	23.996494
"714161"	162.076847	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+H+Na"	23.996494
"1472355"	62.024447	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H+Na"	23.996494
"1064144"	41.68539	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2H+Na"	25.00377
"1270570"	133.085886	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+CH3OH+H"	33.033486
"391328"	239.067958	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+K"	38.963158
"752321"	339.120358	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+K"	38.963158
"1551094"	139.015558	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+K"	38.963158
"307176"	120.037617	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+H+K"	39.970434
"698505"	170.063817	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+H+K"	39.970434
"1447949"	70.011417	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H+K"	39.970434
"237644"	242.138626	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+ACN+H"	42.033826
"1210838"	142.086226	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+ACN+H"	42.033826
"1196423"	71.546751	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+ACN+2H"	43.041102
"190021"	245.07596	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+2Na-H"	44.97116
"631040"	345.12836	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+2Na-H"	44.97116
"1136730"	145.02356	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2Na-H"	44.97116
"174796"	123.041618	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+2Na"	45.978436
"616303"	173.067818	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+2Na"	45.978436
"1121994"	73.015418	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2Na"	45.978436
"1400539"	49.012704	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H+2Na"	46.985712
"1432532"	147.065146	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H+HCOOH"	47.012746
"222227"	128.07464	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+3H2O+2H"	56.04448
"1509317"	161.11719	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+IsoProp+H"	61.06479
"409364"	131.028588	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+Na+K"	61.952376
"771826"	181.054788	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+Na+K"	61.952376
"1668038"	81.002388	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Na+K"	61.952376
"258935"	264.120568	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+ACN+Na"	64.015768
"1237112"	164.068168	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+ACN+Na"	64.015768
"1724904"	164.091693	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+NH4+HCOOH"	64.039293
"1185884"	56.340018	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+3Na"	68.967654
"1662338"	169.047088	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Na+HCOOH"	68.994688
"167748"	277.02384	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+2K-H"	76.91904
"608763"	377.07624	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+2K-H"	76.91904
"1086713"	176.97144	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2K-H"	76.91904
"150089"	139.015558	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"2M+2K"	77.926316
"592937"	189.041758	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"3M+2K"	77.926316
"1078540"	88.989358	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2K"	77.926316
"1108470"	178.985992	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2K+H"	78.933592
"1346678"	179.073607	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+DMSO+H"	79.021207
"1009011"	183.112776	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2ACN+H"	83.060376
"1524941"	184.106408	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+IsoProp+Na+H"	84.054008
"990421"	92.060026	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+2ACN+2H"	84.067652
"1592466"	185.021028	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+K+HCOOH"	84.968628
"1414512"	215.052538	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+H+CF3COOH"	115.000138
"1153882"	112.573301	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+3ACN+2H"	125.094202
"1704528"	232.079085	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+NH4+CF3COOH"	132.026685
"1646740"	237.03448	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+Na+CF3COOH"	136.98208
"1586763"	253.00842	"C15499"	"Pentane-24-dione;Acetylacetone;24-Dioxopentane"	"C5H8O2"	"100.0524"	"M+K+CF3COOH"	152.95602
"804006"	320.122	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M"	0
"974346"	301.10361	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-H2O-H"	-19.01839
"64320"	212.407390666667	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M-3H"	-3.021828
"505339"	319.114724	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M-3H"	-3.021828
"891896"	105.700057333333	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-3H"	-3.021828
"12657"	319.114724	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H"	-2.014552
"452218"	479.175724	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H"	-2.014552
"826746"	159.053724	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-2H"	-2.014552
"86737"	639.236724	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M-H"	-1.007276
"521921"	959.358724	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M-H"	-1.007276
"905197"	319.114724	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-H"	-1.007276
"49728"	656.263271	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H+NH4"	16.019271
"487115"	976.385271	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H+NH4"	16.019271
"864301"	336.141271	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-2H+NH4"	16.019271
"34993"	661.218666	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H+Na"	20.974666
"474552"	981.340666	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H+Na"	20.974666
"848665"	341.096666	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-2H+Na"	20.974666
"1622986"	341.096666	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Na-2H"	20.974666
"106084"	337.103063	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M-H+Cl"	33.962126
"547833"	497.164063	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M-H+Cl"	33.962126
"939157"	177.042063	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-H+Cl"	33.962126
"282791"	675.213402	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+Cl"	34.969402
"675646"	995.335402	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+Cl"	34.969402
"1287894"	355.091402	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl"	34.969402
"27284"	677.192606	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H+K"	36.948606
"465750"	997.314606	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H+K"	36.948606
"848443"	357.070606	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-2H+K"	36.948606
"1569600"	357.070606	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+K-2H"	36.948606
"958051"	365.120194	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-H+HCOOH"	44.998194
"374601"	685.242201	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+HCOOH-H"	44.998201
"361369"	699.257851	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+Hac-H"	59.013851
"1505494"	379.135851	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Hac-H"	59.013851
"974067"	387.102151	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-H+NaCOOH"	66.980151
"125349"	355.091402	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+2Cl"	69.938804
"558593"	515.152402	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+2Cl"	69.938804
"1026299"	195.030402	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2Cl"	69.938804
"1246970"	399.040885	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Br"	78.918885
"1312699"	401.096872	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl+HCOOH"	80.974872
"1323268"	423.078829	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl+NaCOOH"	102.956829
"917971"	433.107586	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M-H+CF3COOH"	112.985586
"1293586"	469.084264	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl+CF3COOH"	148.962264
"1377216"	285.109324	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H-2H2O"	-35.012676
"1388150"	303.1193	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H-H2O"	-17.0027
"292210"	641.251276	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+H"	1.007276
"686819"	961.373276	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+H"	1.007276
"1360980"	321.129276	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H"	1.007276
"133869"	321.129276	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+2H"	2.014552
"579993"	481.190276	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+2H"	2.014552
"1052442"	161.068276	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2H"	2.014552
"216690"	214.421942666667	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+3H"	3.021828
"652968"	321.129276	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+3H"	3.021828
"1172189"	107.714609333333	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+3H"	3.021828
"439241"	658.277823	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+NH4"	18.033823
"799747"	978.399823	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+NH4"	18.033823
"1694984"	338.155823	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+NH4"	18.033823
"344723"	329.6425495	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+H+NH4"	19.041099
"737747"	489.7035495	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+H+NH4"	19.041099
"1490596"	169.5815495	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H+NH4"	19.041099
"404904"	663.233218	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+Na"	22.989218
"760434"	983.355218	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+Na"	22.989218
"1615094"	343.111218	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Na"	22.989218
"320756"	332.120247	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+H+Na"	23.996494
"714271"	492.181247	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+H+Na"	23.996494
"1469185"	172.059247	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H+Na"	23.996494
"1064983"	115.041923333333	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2H+Na"	25.00377
"1268848"	353.155486	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+CH3OH+H"	33.033486
"391436"	679.207158	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+K"	38.963158
"753160"	999.329158	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+K"	38.963158
"1553389"	359.085158	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+K"	38.963158
"307286"	340.107217	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+H+K"	39.970434
"698615"	500.168217	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+H+K"	39.970434
"1446358"	180.046217	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H+K"	39.970434
"236174"	682.277826	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+ACN+H"	42.033826
"1210947"	362.155826	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+ACN+H"	42.033826
"1196533"	181.581551	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+ACN+2H"	43.041102
"192682"	685.21516	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+2Na-H"	44.97116
"631514"	1005.33716	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+2Na-H"	44.97116
"1138297"	365.09316	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2Na-H"	44.97116
"176122"	343.111218	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+2Na"	45.978436
"613252"	503.172218	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+2Na"	45.978436
"1121010"	183.050218	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2Na"	45.978436
"1398946"	122.369237333333	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H+2Na"	46.985712
"1431912"	367.134746	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H+HCOOH"	47.012746
"221608"	348.14424	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+3H2O+2H"	56.04448
"1508481"	381.18679	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+IsoProp+H"	61.06479
"408758"	351.098188	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+Na+K"	61.952376
"770348"	511.159188	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+Na+K"	61.952376
"1669605"	191.037188	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Na+K"	61.952376
"259045"	704.259768	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+ACN+Na"	64.015768
"1237222"	384.137768	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+ACN+Na"	64.015768
"1726107"	384.161293	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+NH4+HCOOH"	64.039293
"1185994"	129.696551333333	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+3Na"	68.967654
"1662448"	389.116688	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Na+HCOOH"	68.994688
"170772"	717.16304	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+2K-H"	76.91904
"608872"	1037.28504	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+2K-H"	76.91904
"1087187"	397.04104	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2K-H"	76.91904
"149106"	359.085158	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"2M+2K"	77.926316
"595231"	519.146158	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"3M+2K"	77.926316
"1079743"	199.024158	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2K"	77.926316
"1109673"	399.055592	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2K+H"	78.933592
"1348245"	399.143207	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+DMSO+H"	79.021207
"1008028"	403.182376	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2ACN+H"	83.060376
"1524568"	404.176008	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+IsoProp+Na+H"	84.054008
"990527"	202.094826	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+2ACN+2H"	84.067652
"1592576"	405.090628	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+K+HCOOH"	84.968628
"1414462"	435.122138	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+H+CF3COOH"	115.000138
"1153992"	222.608101	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+3ACN+2H"	125.094202
"1704638"	452.148685	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+NH4+CF3COOH"	132.026685
"1647943"	457.10408	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+Na+CF3COOH"	136.98208
"1586873"	473.07802	"C15500"	"Mugineic acid"	"C12H20N2O8"	"320.122"	"M+K+CF3COOH"	152.95602
"804116"	336.1169	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M"	0
"975823"	317.09851	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-H2O-H"	-19.01839
"63822"	223.070657333333	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M-3H"	-3.021828
"504719"	335.109624	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M-3H"	-3.021828
"889820"	111.031690666667	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-3H"	-3.021828
"11674"	335.109624	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M-2H"	-2.014552
"449048"	503.168074	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M-2H"	-2.014552
"824669"	167.051174	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-2H"	-2.014552
"85754"	671.226524	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M-H"	-1.007276
"520938"	1007.343424	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M-H"	-1.007276
"902027"	335.109624	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-H"	-1.007276
"47894"	688.253071	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M-2H+NH4"	16.019271
"487447"	1024.369971	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M-2H+NH4"	16.019271
"864308"	352.136171	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-2H+NH4"	16.019271
"36196"	693.208466	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M-2H+Na"	20.974666
"476848"	1029.325366	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M-2H+Na"	20.974666
"848774"	357.091566	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-2H+Na"	20.974666
"1619815"	357.091566	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Na-2H"	20.974666
"102911"	353.097963	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M-H+Cl"	33.962126
"544662"	521.156413	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M-H+Cl"	33.962126
"935987"	185.039513	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-H+Cl"	33.962126
"282762"	707.203202	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+Cl"	34.969402
"675441"	1043.320102	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+Cl"	34.969402
"1285932"	371.086302	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Cl"	34.969402
"24114"	709.182406	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M-2H+K"	36.948606
"462580"	1045.299306	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M-2H+K"	36.948606
"848038"	373.065506	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-2H+K"	36.948606
"1569346"	373.065506	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+K-2H"	36.948606
"956498"	381.115094	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-H+HCOOH"	44.998194
"372160"	717.232001	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+HCOOH-H"	44.998201
"361079"	731.247651	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+Hac-H"	59.013851
"1506334"	395.130751	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Hac-H"	59.013851
"974136"	403.097051	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-H+NaCOOH"	66.980151
"124241"	371.086302	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+2Cl"	69.938804
"556516"	539.144752	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+2Cl"	69.938804
"1026409"	203.027852	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2Cl"	69.938804
"1247080"	415.035785	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Br"	78.918885
"1316089"	417.091772	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Cl+HCOOH"	80.974872
"1323743"	439.073729	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Cl+NaCOOH"	102.956829
"918081"	449.102486	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M-H+CF3COOH"	112.985586
"1292603"	485.079164	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Cl+CF3COOH"	148.962264
"1374046"	301.104224	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H-2H2O"	-35.012676
"1388260"	319.1142	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H-H2O"	-17.0027
"291227"	673.241076	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+H"	1.007276
"686929"	1009.357976	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+H"	1.007276
"1359997"	337.124176	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H"	1.007276
"131793"	337.124176	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+2H"	2.014552
"579982"	505.182626	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+2H"	2.014552
"1051455"	169.065726	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2H"	2.014552
"215706"	225.085209333333	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+3H"	3.021828
"653078"	337.124176	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+3H"	3.021828
"1172299"	113.046242666667	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+3H"	3.021828
"439592"	690.267623	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+NH4"	18.033823
"798763"	1026.384523	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+NH4"	18.033823
"1691813"	354.150723	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+NH4"	18.033823
"343372"	345.6374495	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+H+NH4"	19.041099
"736763"	513.6958995	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+H+NH4"	19.041099
"1487425"	177.5789995	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H+NH4"	19.041099
"405012"	695.223018	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+Na"	22.989218
"759449"	1031.339918	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+Na"	22.989218
"1606456"	359.106118	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Na"	22.989218
"317586"	348.115147	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+H+Na"	23.996494
"712194"	516.173597	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+H+Na"	23.996494
"1467108"	180.056697	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H+Na"	23.996494
"1062541"	120.373556666667	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2H+Na"	25.00377
"1268593"	369.150386	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+CH3OH+H"	33.033486
"388264"	711.196958	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+K"	38.963158
"748166"	1047.313858	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+K"	38.963158
"1545845"	375.080058	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+K"	38.963158
"303021"	356.102117	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+H+K"	39.970434
"691918"	524.160567	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+H+K"	39.970434
"1448170"	188.043667	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H+K"	39.970434
"237134"	714.267626	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+ACN+H"	42.033826
"1218224"	378.150726	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+ACN+H"	42.033826
"1199921"	189.579001	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+ACN+2H"	43.041102
"190607"	717.20496	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+2Na-H"	44.97116
"629677"	1053.32186	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+2Na-H"	44.97116
"1134033"	381.08806	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2Na-H"	44.97116
"173313"	359.106118	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+2Na"	45.978436
"613604"	527.164568	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+2Na"	45.978436
"1116256"	191.047668	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2Na"	45.978436
"1398812"	127.700870666667	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H+2Na"	46.985712
"1430274"	383.129646	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H+HCOOH"	47.012746
"220173"	364.13914	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+3H2O+2H"	56.04448
"1508882"	397.18169	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+IsoProp+H"	61.06479
"408685"	367.093088	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+Na+K"	61.952376
"770047"	535.151538	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+Na+K"	61.952376
"1667524"	199.034638	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Na+K"	61.952376
"254781"	736.249568	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+ACN+Na"	64.015768
"1236238"	400.132668	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+ACN+Na"	64.015768
"1722937"	400.156193	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+NH4+HCOOH"	64.039293
"1186104"	135.028184666667	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+3Na"	68.967654
"1662558"	405.111588	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Na+HCOOH"	68.994688
"169059"	749.15284	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+2K-H"	76.91904
"608982"	1085.26974	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+2K-H"	76.91904
"1086933"	413.03594	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2K-H"	76.91904
"151402"	375.080058	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"2M+2K"	77.926316
"582461"	543.138508	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"3M+2K"	77.926316
"1079851"	207.021608	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2K"	77.926316
"1102127"	415.050492	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2K+H"	78.933592
"1343978"	415.138107	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+DMSO+H"	79.021207
"1008138"	419.177276	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2ACN+H"	83.060376
"1524337"	420.170908	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+IsoProp+Na+H"	84.054008
"989920"	210.092276	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+2ACN+2H"	84.067652
"1592686"	421.085528	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+K+HCOOH"	84.968628
"1414208"	451.117038	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+H+CF3COOH"	115.000138
"1154102"	230.605551	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+3ACN+2H"	125.094202
"1704748"	468.143585	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+NH4+CF3COOH"	132.026685
"1648053"	473.09898	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+Na+CF3COOH"	136.98208
"1586983"	489.07292	"C15501"	"3-Epihydroxymugineic acid"	"C12H20N2O9"	"336.1169"	"M+K+CF3COOH"	152.95602
"810787"	320.122	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M"	0
"976662"	301.10361	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-H2O-H"	-19.01839
"65998"	212.407390666667	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M-3H"	-3.021828
"506651"	319.114724	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M-3H"	-3.021828
"892120"	105.700057333333	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-3H"	-3.021828
"10694"	319.114724	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H"	-2.014552
"450251"	479.175724	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H"	-2.014552
"825872"	159.053724	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-2H"	-2.014552
"88050"	639.236724	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M-H"	-1.007276
"521048"	959.358724	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M-H"	-1.007276
"903229"	319.114724	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-H"	-1.007276
"49340"	656.263271	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H+NH4"	16.019271
"487441"	976.385271	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H+NH4"	16.019271
"864740"	336.141271	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-2H+NH4"	16.019271
"34482"	661.218666	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H+Na"	20.974666
"471879"	981.340666	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H+Na"	20.974666
"851479"	341.096666	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-2H+Na"	20.974666
"1621746"	341.096666	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Na-2H"	20.974666
"103021"	337.103063	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M-H+Cl"	33.962126
"542584"	497.164063	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M-H+Cl"	33.962126
"933910"	177.042063	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-H+Cl"	33.962126
"281463"	675.213402	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+Cl"	34.969402
"670359"	995.335402	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+Cl"	34.969402
"1281668"	355.091402	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl"	34.969402
"25317"	677.192606	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M-2H+K"	36.948606
"462690"	997.314606	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M-2H+K"	36.948606
"840493"	357.070606	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-2H+K"	36.948606
"1569818"	357.070606	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+K-2H"	36.948606
"956971"	365.120194	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-H+HCOOH"	44.998194
"373727"	685.242201	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+HCOOH-H"	44.998201
"360656"	699.257851	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+Hac-H"	59.013851
"1505713"	379.135851	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Hac-H"	59.013851
"973872"	387.102151	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-H+NaCOOH"	66.980151
"124715"	355.091402	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+2Cl"	69.938804
"557719"	515.152402	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+2Cl"	69.938804
"1025425"	195.030402	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2Cl"	69.938804
"1248283"	399.040885	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Br"	78.918885
"1312919"	401.096872	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl+HCOOH"	80.974872
"1321666"	423.078829	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl+NaCOOH"	102.956829
"912358"	433.107586	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M-H+CF3COOH"	112.985586
"1290033"	469.084264	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Cl+CF3COOH"	148.962264
"1368688"	285.109324	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H-2H2O"	-35.012676
"1385090"	303.1193	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H-H2O"	-17.0027
"292430"	641.251276	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+H"	1.007276
"685945"	961.373276	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+H"	1.007276
"1359013"	321.129276	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H"	1.007276
"134089"	321.129276	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+2H"	2.014552
"580211"	481.190276	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+2H"	2.014552
"1050103"	161.068276	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2H"	2.014552
"214723"	214.421942666667	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+3H"	3.021828
"646991"	321.129276	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+3H"	3.021828
"1169127"	107.714609333333	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+3H"	3.021828
"439870"	658.277823	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+NH4"	18.033823
"796686"	978.399823	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+NH4"	18.033823
"1693016"	338.155823	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+NH4"	18.033823
"342388"	329.6425495	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+H+NH4"	19.041099
"734806"	489.7035495	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+H+NH4"	19.041099
"1486442"	169.5815495	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H+NH4"	19.041099
"404028"	663.233218	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+Na"	22.989218
"758464"	983.355218	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+Na"	22.989218
"1608752"	343.111218	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Na"	22.989218
"318060"	332.120247	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+H+Na"	23.996494
"712304"	492.181247	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+H+Na"	23.996494
"1465031"	172.059247	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H+Na"	23.996494
"1061557"	115.041923333333	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2H+Na"	25.00377
"1264329"	353.155486	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+CH3OH+H"	33.033486
"386186"	679.207158	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+K"	38.963158
"741714"	999.329158	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+K"	38.963158
"1544860"	359.085158	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+K"	38.963158
"306411"	340.107217	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+H+K"	39.970434
"694094"	500.168217	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+H+K"	39.970434
"1446457"	180.046217	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H+K"	39.970434
"236514"	682.277826	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+ACN+H"	42.033826
"1215054"	362.155826	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+ACN+H"	42.033826
"1200031"	181.581551	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+ACN+2H"	43.041102
"190350"	685.21516	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+2Na-H"	44.97116
"629297"	1005.33716	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+2Na-H"	44.97116
"1131830"	365.09316	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2Na-H"	44.97116
"173294"	343.111218	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+2Na"	45.978436
"613100"	503.172218	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+2Na"	45.978436
"1115994"	183.050218	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2Na"	45.978436
"1399045"	122.369237333333	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H+2Na"	46.985712
"1430464"	367.134746	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H+HCOOH"	47.012746
"220734"	348.14424	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+3H2O+2H"	56.04448
"1508541"	381.18679	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+IsoProp+H"	61.06479
"408613"	351.098188	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+Na+K"	61.952376
"770189"	511.159188	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+Na+K"	61.952376
"1665968"	191.037188	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Na+K"	61.952376
"257077"	704.259768	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+ACN+Na"	64.015768
"1231974"	384.137768	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+ACN+Na"	64.015768
"1724140"	384.161293	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+NH4+HCOOH"	64.039293
"1190954"	129.696551333333	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+3Na"	68.967654
"1657202"	389.116688	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Na+HCOOH"	68.994688
"168436"	717.16304	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+2K-H"	76.91904
"608362"	1037.28504	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+2K-H"	76.91904
"1095428"	397.04104	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2K-H"	76.91904
"151513"	359.085158	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"2M+2K"	77.926316
"582692"	519.146158	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"3M+2K"	77.926316
"1071215"	199.024158	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2K"	77.926316
"1103332"	399.055592	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2K+H"	78.933592
"1341902"	399.143207	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+DMSO+H"	79.021207
"1006057"	403.182376	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2ACN+H"	83.060376
"1524390"	404.176008	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+IsoProp+Na+H"	84.054008
"990141"	202.094826	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+2ACN+2H"	84.067652
"1588409"	405.090628	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+K+HCOOH"	84.968628
"1414309"	435.122138	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+H+CF3COOH"	115.000138
"1154212"	222.608101	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+3ACN+2H"	125.094202
"1701578"	452.148685	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+NH4+CF3COOH"	132.026685
"1647799"	457.10408	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+Na+CF3COOH"	136.98208
"1583813"	473.07802	"C15502"	"3-Epihydroxy-2-deoxymugineic acid"	"C12H20N2O8"	"320.122"	"M+K+CF3COOH"	152.95602
"813084"	213.0637	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M"	0
"983336"	194.04531	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-H2O-H"	-19.01839
"71577"	141.035190666667	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M-3H"	-3.021828
"512231"	212.056424	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M-3H"	-3.021828
"894417"	70.0139573333333	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-3H"	-3.021828
"12990"	212.056424	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M-2H"	-2.014552
"450364"	318.588274	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M-2H"	-2.014552
"827076"	105.524574	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-2H"	-2.014552
"90347"	425.120124	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M-H"	-1.007276
"528813"	638.183824	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M-H"	-1.007276
"906620"	212.056424	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-H"	-1.007276
"54432"	442.146671	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M-2H+NH4"	16.019271
"493993"	655.210371	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M-2H+NH4"	16.019271
"869973"	229.082971	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-2H+NH4"	16.019271
"35322"	447.102066	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M-2H+Na"	20.974666
"474882"	660.165766	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M-2H+Na"	20.974666
"858151"	234.038366	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-2H+Na"	20.974666
"1620153"	234.038366	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Na-2H"	20.974666
"99851"	230.044763	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M-H+Cl"	33.962126
"541601"	336.576613	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M-H+Cl"	33.962126
"934020"	123.512913	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-H+Cl"	33.962126
"281695"	461.096802	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+Cl"	34.969402
"670469"	674.160502	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+Cl"	34.969402
"1281778"	248.033102	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Cl"	34.969402
"25427"	463.076006	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M-2H+K"	36.948606
"462800"	676.139706	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M-2H+K"	36.948606
"834518"	250.012306	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-2H+K"	36.948606
"1569200"	250.012306	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+K-2H"	36.948606
"955989"	258.061894	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-H+HCOOH"	44.998194
"374566"	471.125601	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+HCOOH-H"	44.998201
"361007"	485.141251	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+Hac-H"	59.013851
"1505823"	272.077551	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Hac-H"	59.013851
"974068"	280.043851	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-H+NaCOOH"	66.980151
"123733"	248.033102	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+2Cl"	69.938804
"554549"	354.564952	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+2Cl"	69.938804
"1025535"	141.501252	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2Cl"	69.938804
"1242926"	291.982585	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Br"	78.918885
"1306589"	294.038572	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Cl+HCOOH"	80.974872
"1320804"	316.020529	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Cl+NaCOOH"	102.956829
"913561"	326.049286	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M-H+CF3COOH"	112.985586
"1290996"	362.025964	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Cl+CF3COOH"	148.962264
"1368796"	178.051024	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H-2H2O"	-35.012676
"1385200"	196.061	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H-H2O"	-17.0027
"292540"	427.134676	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+H"	1.007276
"688242"	640.198376	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+H"	1.007276
"1359123"	214.070976	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H"	1.007276
"134199"	214.070976	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+2H"	2.014552
"579593"	320.602826	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+2H"	2.014552
"1046933"	107.539126	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2H"	2.014552
"215926"	143.049742666667	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+3H"	3.021828
"647465"	214.070976	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+3H"	3.021828
"1168143"	72.0285093333333	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+3H"	3.021828
"439775"	444.161223	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+NH4"	18.033823
"796796"	657.224923	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+NH4"	18.033823
"1693856"	231.097523	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+NH4"	18.033823
"343227"	222.5842495	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+H+NH4"	19.041099
"736010"	329.1160995	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+H+NH4"	19.041099
"1488739"	116.0523995	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H+NH4"	19.041099
"405962"	449.116618	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+Na"	22.989218
"761855"	662.180318	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+Na"	22.989218
"1615424"	236.052918	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Na"	22.989218
"319992"	225.061947	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+H+Na"	23.996494
"713508"	331.593797	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+H+Na"	23.996494
"1468421"	118.530097	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H+Na"	23.996494
"1061668"	79.3558233333333	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2H+Na"	25.00377
"1269907"	246.097186	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+CH3OH+H"	33.033486
"383016"	465.090558	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+K"	38.963158
"744011"	678.154258	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+K"	38.963158
"1544972"	252.026858	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+K"	38.963158
"303240"	233.048917	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+H+K"	39.970434
"693840"	339.580767	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+H+K"	39.970434
"1448389"	126.517067	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H+K"	39.970434
"238083"	468.161226	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+ACN+H"	42.033826
"1215164"	255.097526	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+ACN+H"	42.033826
"1201235"	128.052401	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+ACN+2H"	43.041102
"192283"	471.09856	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+2Na-H"	44.97116
"634029"	684.16226	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+2Na-H"	44.97116
"1135349"	258.03486	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2Na-H"	44.97116
"176451"	236.052918	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+2Na"	45.978436
"614307"	342.584768	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+2Na"	45.978436
"1121704"	129.521068	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2Na"	45.978436
"1399389"	86.6831373333333	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H+2Na"	46.985712
"1430783"	260.076446	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H+HCOOH"	47.012746
"220315"	241.08594	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+3H2O+2H"	56.04448
"1508900"	274.12849	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+IsoProp+H"	61.06479
"409678"	244.039888	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+Na+K"	61.952376
"770185"	350.571738	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+Na+K"	61.952376
"1666030"	137.508038	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Na+K"	61.952376
"257187"	490.143168	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+ACN+Na"	64.015768
"1234270"	277.079468	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+ACN+Na"	64.015768
"1722062"	277.102993	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+NH4+HCOOH"	64.039293
"1191429"	94.0104513333333	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+3Na"	68.967654
"1661687"	282.058388	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Na+HCOOH"	68.994688
"168912"	503.04644	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+2K-H"	76.91904
"608839"	716.11014	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+2K-H"	76.91904
"1089343"	289.98274	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2K-H"	76.91904
"151626"	252.026858	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"2M+2K"	77.926316
"582071"	358.558708	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"3M+2K"	77.926316
"1076792"	145.495008	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2K"	77.926316
"1106724"	291.997292	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2K+H"	78.933592
"1343107"	292.084907	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+DMSO+H"	79.021207
"1005923"	296.124076	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2ACN+H"	83.060376
"1524206"	297.117708	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+IsoProp+Na+H"	84.054008
"990129"	148.565676	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+2ACN+2H"	84.067652
"1588157"	298.032328	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+K+HCOOH"	84.968628
"1416013"	328.063838	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+H+CF3COOH"	115.000138
"1159790"	169.078951	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+3ACN+2H"	125.094202
"1701687"	345.090385	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+NH4+CF3COOH"	132.026685
"1646086"	350.04578	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+Na+CF3COOH"	136.98208
"1583923"	366.01972	"C15503"	"NN-Dihydroxy-L-tyrosine"	"C9H11NO5"	"213.0637"	"M+K+CF3COOH"	152.95602
"811007"	318.074	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M"	0
"981259"	299.05561	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-H2O-H"	-19.01839
"67314"	211.042057333333	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M-3H"	-3.021828
"506143"	317.066724	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M-3H"	-3.021828
"894528"	105.017390666667	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-3H"	-3.021828
"12006"	317.066724	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M-2H"	-2.014552
"451567"	476.103724	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M-2H"	-2.014552
"826097"	158.029724	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-2H"	-2.014552
"94191"	635.140724	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M-H"	-1.007276
"530020"	953.214724	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M-H"	-1.007276
"904545"	317.066724	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-H"	-1.007276
"55635"	652.167271	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M-2H+NH4"	16.019271
"491916"	970.241271	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M-2H+NH4"	16.019271
"868627"	334.093271	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-2H+NH4"	16.019271
"36526"	657.122666	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M-2H+Na"	20.974666
"480460"	975.196666	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M-2H+Na"	20.974666
"854982"	339.048666	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-2H+Na"	20.974666
"1621599"	339.048666	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Na-2H"	20.974666
"99961"	335.055063	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M-H+Cl"	33.962126
"543897"	494.092063	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M-H+Cl"	33.962126
"934130"	176.018063	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-H+Cl"	33.962126
"280345"	671.117402	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+Cl"	34.969402
"668392"	989.191402	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+Cl"	34.969402
"1281888"	353.043402	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Cl"	34.969402
"25537"	673.096606	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M-2H+K"	36.948606
"462910"	991.170606	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M-2H+K"	36.948606
"834144"	355.022606	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-2H+K"	36.948606
"1562014"	355.022606	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+K-2H"	36.948606
"952085"	363.072194	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-H+HCOOH"	44.998194
"368113"	681.146201	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+HCOOH-H"	44.998201
"353089"	695.161851	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+Hac-H"	59.013851
"1505203"	377.087851	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Hac-H"	59.013851
"973805"	385.054151	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-H+NaCOOH"	66.980151
"115092"	353.043402	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+2Cl"	69.938804
"551741"	512.080402	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+2Cl"	69.938804
"1022728"	194.006402	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2Cl"	69.938804
"1243400"	396.992885	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Br"	78.918885
"1308764"	399.048872	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Cl+HCOOH"	80.974872
"1324072"	421.030829	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Cl+NaCOOH"	102.956829
"914764"	431.059586	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M-H+CF3COOH"	112.985586
"1290012"	467.036264	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Cl+CF3COOH"	148.962264
"1370364"	283.061324	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H-2H2O"	-35.012676
"1388590"	301.0713	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H-H2O"	-17.0027
"292650"	637.155276	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+H"	1.007276
"689081"	955.229276	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+H"	1.007276
"1360326"	319.081276	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H"	1.007276
"135402"	319.081276	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+2H"	2.014552
"578244"	478.118276	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+2H"	2.014552
"1047041"	160.044276	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2H"	2.014552
"213849"	213.056609333333	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+3H"	3.021828
"647211"	319.081276	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+3H"	3.021828
"1167160"	107.031942666667	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+3H"	3.021828
"439927"	654.181823	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+NH4"	18.033823
"796906"	972.255823	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+NH4"	18.033823
"1695789"	336.107823	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+NH4"	18.033823
"341150"	327.5945495	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+H+NH4"	19.041099
"735392"	486.6315495	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+H+NH4"	19.041099
"1489578"	168.5575495	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H+NH4"	19.041099
"406434"	659.137218	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+Na"	22.989218
"767431"	977.211218	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+Na"	22.989218
"1608970"	341.063218	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Na"	22.989218
"320099"	330.072247	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+H+Na"	23.996494
"713615"	489.109247	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+H+Na"	23.996494
"1468531"	171.035247	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H+Na"	23.996494
"1062871"	114.359256666667	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2H+Na"	25.00377
"1270017"	351.107486	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+CH3OH+H"	33.033486
"389687"	675.111158	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+K"	38.963158
"747401"	993.185158	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+K"	38.963158
"1546175"	357.037158	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+K"	38.963158
"302257"	338.059217	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+H+K"	39.970434
"694679"	497.096217	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+H+K"	39.970434
"1448499"	179.022217	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H+K"	39.970434
"239651"	678.181826	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+ACN+H"	42.033826
"1216368"	360.107826	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+ACN+H"	42.033826
"1203532"	180.557551	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+ACN+2H"	43.041102
"192758"	681.11916	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+2Na-H"	44.97116
"635233"	999.19316	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+2Na-H"	44.97116
"1137646"	363.04516	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2Na-H"	44.97116
"174616"	341.063218	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+2Na"	45.978436
"613325"	500.100218	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+2Na"	45.978436
"1117806"	182.026218	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2Na"	45.978436
"1398773"	121.686570666667	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H+2Na"	46.985712
"1431986"	365.086746	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H+HCOOH"	47.012746
"220224"	346.09624	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+3H2O+2H"	56.04448
"1508892"	379.13879	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+IsoProp+H"	61.06479
"408897"	349.050188	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+Na+K"	61.952376
"770109"	508.087188	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+Na+K"	61.952376
"1666392"	190.013188	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Na+K"	61.952376
"256932"	700.163768	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+ACN+Na"	64.015768
"1236567"	382.089768	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+ACN+Na"	64.015768
"1725454"	382.113293	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+NH4+HCOOH"	64.039293
"1191902"	129.013884666667	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+3Na"	68.967654
"1661797"	387.068688	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Na+HCOOH"	68.994688
"169750"	713.06704	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+2K-H"	76.91904
"609313"	1031.14104	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+2K-H"	76.91904
"1087631"	394.99304	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2K-H"	76.91904
"149549"	357.037158	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"2M+2K"	77.926316
"590203"	516.074158	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"3M+2K"	77.926316
"1074717"	198.000158	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2K"	77.926316
"1104646"	397.007592	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2K+H"	78.933592
"1342123"	397.095207	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+DMSO+H"	79.021207
"1005787"	401.134376	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2ACN+H"	83.060376
"1524683"	402.128008	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+IsoProp+Na+H"	84.054008
"989957"	201.070826	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+2ACN+2H"	84.067652
"1588632"	403.042628	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+K+HCOOH"	84.968628
"1416123"	433.074138	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+H+CF3COOH"	115.000138
"1159900"	221.584101	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+3ACN+2H"	125.094202
"1701798"	450.100685	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+NH4+CF3COOH"	132.026685
"1642916"	455.05608	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+Na+CF3COOH"	136.98208
"1584033"	471.03002	"C15504"	"Demethylsulochrin"	"C16H14O7"	"318.074"	"M+K+CF3COOH"	152.95602
"804556"	229.886	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M"	0
"974808"	210.86761	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-H2O-H"	-19.01839
"63091"	152.250057333333	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M-3H"	-3.021828
"503170"	228.878724	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M-3H"	-3.021828
"893545"	75.6213906666667	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-3H"	-3.021828
"12116"	228.878724	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M-2H"	-2.014552
"450584"	343.821724	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M-2H"	-2.014552
"821833"	113.935724	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-2H"	-2.014552
"89478"	458.764724	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M-H"	-1.007276
"530130"	688.650724	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M-H"	-1.007276
"903558"	228.878724	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-H"	-1.007276
"56840"	475.791271	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M-2H+NH4"	16.019271
"490935"	705.677271	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M-2H+NH4"	16.019271
"866913"	245.905271	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-2H+NH4"	16.019271
"36638"	480.746666	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M-2H+Na"	20.974666
"484822"	710.632666	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M-2H+Na"	20.974666
"856186"	250.860666	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-2H+Na"	20.974666
"1620980"	250.860666	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Na-2H"	20.974666
"100071"	246.867063	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M-H+Cl"	33.962126
"544007"	361.810063	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M-H+Cl"	33.962126
"934240"	131.924063	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-H+Cl"	33.962126
"282280"	494.741402	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+Cl"	34.969402
"668502"	724.627402	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+Cl"	34.969402
"1281998"	264.855402	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Cl"	34.969402
"25647"	496.720606	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M-2H+K"	36.948606
"463020"	726.606606	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M-2H+K"	36.948606
"833891"	266.834606	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-2H+K"	36.948606
"1562124"	266.834606	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+K-2H"	36.948606
"952195"	274.884194	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-H+HCOOH"	44.998194
"367128"	504.770201	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+HCOOH-H"	44.998201
"353199"	518.785851	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+Hac-H"	59.013851
"1497657"	288.899851	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Hac-H"	59.013851
"967386"	296.866151	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-H+NaCOOH"	66.980151
"116295"	264.855402	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+2Cl"	69.938804
"553675"	379.798402	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+2Cl"	69.938804
"1025754"	149.912402	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2Cl"	69.938804
"1245331"	308.804885	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Br"	78.918885
"1307780"	310.860872	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Cl+HCOOH"	80.974872
"1321995"	332.842829	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Cl+NaCOOH"	102.956829
"913416"	342.871586	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M-H+CF3COOH"	112.985586
"1298508"	378.848264	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Cl+CF3COOH"	148.962264
"1372296"	194.873324	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H-2H2O"	-35.012676
"1385420"	212.8833	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H-H2O"	-17.0027
"284011"	460.779276	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+H"	1.007276
"678618"	690.665276	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+H"	1.007276
"1354967"	230.893276	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H"	1.007276
"128584"	230.893276	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+2H"	2.014552
"567415"	345.836276	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+2H"	2.014552
"1047151"	115.950276	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2H"	2.014552
"209584"	154.264609333333	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+3H"	3.021828
"648047"	230.893276	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+3H"	3.021828
"1167634"	77.6359426666667	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+3H"	3.021828
"439832"	477.805823	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+NH4"	18.033823
"797383"	707.691823	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+NH4"	18.033823
"1692252"	247.919823	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+NH4"	18.033823
"336157"	239.4065495	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+H+NH4"	19.041099
"728576"	354.3495495	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+H+NH4"	19.041099
"1486772"	124.4635495	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H+NH4"	19.041099
"403263"	482.761218	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+Na"	22.989218
"760979"	712.647218	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+Na"	22.989218
"1609079"	252.875218	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Na"	22.989218
"318022"	241.884247	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+H+Na"	23.996494
"713725"	356.827247	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+H+Na"	23.996494
"1468641"	126.941247	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H+Na"	23.996494
"1060793"	84.9632566666667	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2H+Na"	25.00377
"1269034"	262.919486	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+CH3OH+H"	33.033486
"386517"	498.735158	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+K"	38.963158
"746417"	728.621158	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+K"	38.963158
"1545190"	268.849158	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+K"	38.963158
"300544"	249.871217	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+H+K"	39.970434
"693695"	364.814217	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+H+K"	39.970434
"1448609"	134.928217	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H+K"	39.970434
"239397"	501.805826	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+ACN+H"	42.033826
"1221947"	271.919826	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+ACN+H"	42.033826
"1203642"	136.463551	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+ACN+2H"	43.041102
"192506"	504.74316	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+2Na-H"	44.97116
"633521"	734.62916	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+2Na-H"	44.97116
"1133747"	274.85716	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2Na-H"	44.97116
"174481"	252.875218	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+2Na"	45.978436
"613560"	367.818218	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+2Na"	45.978436
"1116822"	137.932218	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2Na"	45.978436
"1398758"	92.2905706666667	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H+2Na"	46.985712
"1431004"	276.898746	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H+HCOOH"	47.012746
"222158"	257.90824	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+3H2O+2H"	56.04448
"1510344"	290.95079	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+IsoProp+H"	61.06479
"410272"	260.862188	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+Na+K"	61.952376
"773457"	375.805188	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+Na+K"	61.952376
"1666504"	145.919188	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Na+K"	61.952376
"258502"	523.787768	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+ACN+Na"	64.015768
"1234492"	293.901768	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+ACN+Na"	64.015768
"1726296"	293.925293	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+NH4+HCOOH"	64.039293
"1189825"	99.6178846666667	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+3Na"	68.967654
"1660812"	298.880688	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Na+HCOOH"	68.994688
"166578"	536.69104	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+2K-H"	76.91904
"607233"	766.57704	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+2K-H"	76.91904
"1088470"	306.80504	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2K-H"	76.91904
"148564"	268.849158	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"2M+2K"	77.926316
"582415"	383.792158	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"3M+2K"	77.926316
"1071547"	153.906158	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2K"	77.926316
"1102570"	308.819592	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2K+H"	78.933592
"1341140"	308.907207	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+DMSO+H"	79.021207
"1005757"	312.946376	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2ACN+H"	83.060376
"1524234"	313.940008	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+IsoProp+Na+H"	84.054008
"989995"	156.976826	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+2ACN+2H"	84.067652
"1587324"	314.854628	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+K+HCOOH"	84.968628
"1416233"	344.886138	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+H+CF3COOH"	115.000138
"1157823"	177.490101	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+3ACN+2H"	125.094202
"1701907"	361.912685	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+NH4+CF3COOH"	132.026685
"1643026"	366.86808	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+Na+CF3COOH"	136.98208
"1584143"	382.84202	"C15505"	"2356-Tetrachlorophenol"	"C6H2Cl4O"	"229.886"	"M+K+CF3COOH"	152.95602
"816701"	58.0419	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M"	0
"981481"	39.02351	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-H2O-H"	-19.01839
"73011"	37.687324	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M-3H"	-3.021828
"515853"	57.034624	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M-3H"	-3.021828
"890375"	18.340024	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-3H"	-3.021828
"5668"	57.034624	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M-2H"	-2.014552
"449604"	86.055574	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M-2H"	-2.014552
"829596"	28.013674	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-2H"	-2.014552
"83028"	115.076524	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M-H"	-1.007276
"528056"	173.118424	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M-H"	-1.007276
"904764"	57.034624	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-H"	-1.007276
"53670"	132.103071	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M-2H+NH4"	16.019271
"493230"	190.144971	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M-2H+NH4"	16.019271
"871033"	74.061171	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-2H+NH4"	16.019271
"32614"	137.058466	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M-2H+Na"	20.974666
"475216"	195.100366	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M-2H+Na"	20.974666
"853030"	79.016566	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-2H+Na"	20.974666
"1629123"	79.016566	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Na-2H"	20.974666
"107840"	75.022963	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M-H+Cl"	33.962126
"547401"	104.043913	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M-H+Cl"	33.962126
"939462"	46.002013	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-H+Cl"	33.962126
"279472"	151.053202	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+Cl"	34.969402
"674080"	209.095102	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+Cl"	34.969402
"1286483"	93.011302	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Cl"	34.969402
"20291"	153.032406	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M-2H+K"	36.948606
"457664"	211.074306	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M-2H+K"	36.948606
"839841"	94.990506	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-2H+K"	36.948606
"1562234"	94.990506	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+K-2H"	36.948606
"952305"	103.040094	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-H+HCOOH"	44.998194
"368332"	161.082001	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+HCOOH-H"	44.998201
"359875"	175.097651	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+Hac-H"	59.013851
"1507863"	117.055751	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Hac-H"	59.013851
"965316"	125.022051	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-H+NaCOOH"	66.980151
"115317"	93.011302	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+2Cl"	69.938804
"555972"	122.032252	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+2Cl"	69.938804
"1023677"	63.990352	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2Cl"	69.938804
"1246535"	136.960785	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Br"	78.918885
"1310077"	139.016772	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Cl+HCOOH"	80.974872
"1324292"	160.998729	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Cl+NaCOOH"	102.956829
"915350"	171.027486	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M-H+CF3COOH"	112.985586
"1297525"	207.004164	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Cl+CF3COOH"	148.962264
"1369124"	23.029224	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H-2H2O"	-35.012676
"1386621"	41.0392	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H-H2O"	-17.0027
"284121"	117.091076	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+H"	1.007276
"675972"	175.132976	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+H"	1.007276
"1353985"	59.049176	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H"	1.007276
"129060"	59.049176	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+2H"	2.014552
"569714"	88.070126	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+2H"	2.014552
"1043982"	30.028226	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2H"	2.014552
"219063"	39.701876	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+3H"	3.021828
"655823"	59.049176	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+3H"	3.021828
"1175038"	20.354576	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+3H"	3.021828
"438680"	134.117623	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+NH4"	18.033823
"794933"	192.159523	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+NH4"	18.033823
"1690171"	76.075723	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+NH4"	18.033823
"337353"	67.5624495	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+H+NH4"	19.041099
"733786"	96.5833995	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+H+NH4"	19.041099
"1481410"	38.5414995	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H+NH4"	19.041099
"394260"	139.073018	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+Na"	22.989218
"756713"	197.114918	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+Na"	22.989218
"1604447"	81.031118	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Na"	22.989218
"315214"	70.040147	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+H+Na"	23.996494
"710553"	99.061097	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+H+Na"	23.996494
"1461822"	41.019197	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H+Na"	23.996494
"1057624"	27.68189	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2H+Na"	25.00377
"1262583"	91.075386	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+CH3OH+H"	33.033486
"385532"	155.046958	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+K"	38.963158
"742151"	213.088858	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+K"	38.963158
"1545297"	97.005058	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+K"	38.963158
"306848"	78.027117	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+H+K"	39.970434
"698176"	107.048067	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+H+K"	39.970434
"1455276"	49.006167	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H+K"	39.970434
"240962"	158.117626	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+ACN+H"	42.033826
"1215129"	100.075726	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+ACN+H"	42.033826
"1200473"	50.541501	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+ACN+2H"	43.041102
"194438"	161.05496	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+2Na-H"	44.97116
"628612"	219.09686	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+2Na-H"	44.97116
"1132759"	103.01306	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2Na-H"	44.97116
"173415"	81.031118	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+2Na"	45.978436
"614517"	110.052068	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+2Na"	45.978436
"1117296"	52.010168	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2Na"	45.978436
"1399239"	35.009204	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H+2Na"	46.985712
"1430300"	105.054646	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H+HCOOH"	47.012746
"220152"	86.06414	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+3H2O+2H"	56.04448
"1508869"	119.10669	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+IsoProp+H"	61.06479
"409894"	89.018088	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+Na+K"	61.952376
"771380"	118.039038	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+Na+K"	61.952376
"1666255"	59.997138	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Na+K"	61.952376
"253872"	180.099568	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+ACN+Na"	64.015768
"1229132"	122.057668	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+ACN+Na"	64.015768
"1719841"	122.081193	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+NH4+HCOOH"	64.039293
"1187019"	42.336518	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+3Na"	68.967654
"1658004"	127.036588	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Na+HCOOH"	68.994688
"159764"	193.00284	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+2K-H"	76.91904
"597139"	251.04474	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+2K-H"	76.91904
"1085050"	134.96094	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2K-H"	76.91904
"143569"	97.005058	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"2M+2K"	77.926316
"583131"	126.026008	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"3M+2K"	77.926316
"1068692"	67.984108	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2K"	77.926316
"1100354"	136.975492	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2K+H"	78.933592
"1336133"	137.063107	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+DMSO+H"	79.021207
"1006001"	141.102276	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2ACN+H"	83.060376
"1524615"	142.095908	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+IsoProp+Na+H"	84.054008
"990210"	71.054776	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+2ACN+2H"	84.067652
"1587768"	143.010528	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+K+HCOOH"	84.968628
"1414882"	173.042038	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+H+CF3COOH"	115.000138
"1149549"	91.568051	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+3ACN+2H"	125.094202
"1699830"	190.068585	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+NH4+CF3COOH"	132.026685
"1639857"	195.02398	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+Na+CF3COOH"	136.98208
"1584255"	210.99792	"C15508"	"12-Epoxypropane;12-Propylene oxide;Propylene oxide"	"C3H6O"	"58.0419"	"M+K+CF3COOH"	152.95602
"814619"	340.1311	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M"	0
"981591"	321.11271	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"75308"	225.746790666667	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"517786"	339.123824	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"895103"	112.369757333333	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"12340"	339.123824	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"450810"	509.189374	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"830799"	169.058274	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"86417"	679.254924	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"529259"	1019.386024	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"909126"	339.123824	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"55969"	696.281471	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"496622"	1036.412571	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"875517"	356.150371	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"36127"	701.236866	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"477148"	1041.367966	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"855327"	361.105766	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1630326"	361.105766	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"105763"	357.112163	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"548483"	527.177713	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"941636"	187.046613	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"279582"	715.231602	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"672004"	1055.362702	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1285500"	375.100502	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"20401"	717.210806	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"457774"	1057.341906	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"838857"	377.079706	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1562344"	377.079706	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"952415"	385.129294	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"366255"	725.260401	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"359985"	739.276051	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1507891"	399.144951	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"962146"	407.111251	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"116520"	375.100502	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"554987"	545.166052	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1023787"	205.034952	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1246645"	419.049985	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1310187"	421.105972	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1326589"	443.087929	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"918740"	453.116686	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1298728"	489.093364	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1369235"	305.118424	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1386731"	323.1284	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"285324"	681.269476	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"676650"	1021.400576	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1358469"	341.138376	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"135732"	341.138376	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"573104"	511.203926	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1050655"	171.072826	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"218323"	227.761342666667	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"653748"	341.138376	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1177466"	114.384309333333	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"439278"	698.296023	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"800637"	1038.427123	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1690281"	358.164923	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"341838"	349.6516495	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"732075"	519.7171995	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1482616"	179.5860995	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"396921"	703.251418	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"756093"	1043.382518	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1604924"	363.120318	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"317147"	352.129347	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"710662"	522.194897	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1469950"	182.063797	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1057734"	121.711623333333	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1261598"	373.164586	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"383454"	719.225358	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"740439"	1059.356458	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1541761"	379.094258	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"301855"	360.116317	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"693184"	530.181867	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1454294"	190.050767	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"243989"	722.296026	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1215605"	382.164926	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1199490"	191.586101	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"191266"	725.23336	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"628873"	1065.36446	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1132505"	385.10226	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"173238"	363.120318	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"613160"	533.185868	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1116306"	193.054768	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1398738"	129.038937333333	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1430164"	387.143846	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"220667"	368.15334	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1508845"	401.19589	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"408601"	371.107288	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"770272"	541.172838	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1666607"	201.041738	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"253615"	744.277968	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1229605"	404.146868	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1719951"	404.170393	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1185305"	136.366251333333	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1657750"	409.125788	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"161334"	757.18124	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"597733"	1097.31234	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1087593"	417.05014	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"147691"	379.094258	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"583972"	549.159808	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1069943"	209.028708	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1099918"	419.064692	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1335715"	419.152307	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1005714"	423.191476	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1524325"	424.185108	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"989951"	212.099376	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1588972"	425.099728	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1416090"	455.131238	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1154763"	232.612651	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1698849"	472.157785	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1639967"	477.11318	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1584365"	493.08712	"C15509"	"Glyceocarpin;2-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"814729"	340.1311	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M"	0
"981701"	321.11271	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"74325"	225.746790666667	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"513886"	339.123824	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"892781"	112.369757333333	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"11357"	339.123824	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"452011"	509.189374	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"831517"	169.058274	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"86526"	679.254924	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"529367"	1019.386024	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"906076"	339.123824	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"60452"	696.281471	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"498917"	1036.412571	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"872346"	356.150371	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"34414"	701.236866	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"475435"	1041.367966	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"857624"	361.105766	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1627156"	361.105766	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"106602"	357.112163	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"546527"	527.177713	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"938950"	187.046613	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"279694"	715.231602	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"668833"	1055.362702	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1282330"	375.100502	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"17352"	717.210806	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"457884"	1057.341906	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"838967"	377.079706	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1561361"	377.079706	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"949245"	385.129294	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"366364"	725.260401	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"358272"	739.276051	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1507844"	399.144951	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"971369"	407.111251	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"122098"	375.100502	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"559472"	545.166052	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1027176"	205.034952	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1253315"	419.049985	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1310297"	421.105972	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1329979"	443.087929	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"922130"	453.116686	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1297745"	489.093364	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1368370"	305.118424	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1389029"	323.1284	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"284705"	681.269476	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"675786"	1021.400576	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1358579"	341.138376	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"129280"	341.138376	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"569934"	511.203926	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1050765"	171.072826	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"219770"	227.761342666667	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"650576"	341.138376	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1178182"	114.384309333333	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"438899"	698.296023	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"801151"	1038.427123	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1694765"	358.164923	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"337578"	349.6516495	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"731091"	519.7171995	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1483819"	179.5860995	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"394480"	703.251418	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"756936"	1043.382518	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1606127"	363.120318	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"318351"	352.129347	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"710772"	522.194897	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1470060"	182.063797	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1061124"	121.711623333333	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1260614"	373.164586	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"383564"	719.225358	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"743466"	1059.356458	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1543333"	379.094258	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"303060"	360.116317	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"698397"	530.181867	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1448208"	190.050767	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"244100"	722.296026	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1213892"	382.164926	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1198507"	191.586101	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"191012"	725.23336	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"629227"	1065.36446	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1132008"	385.10226	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"173717"	363.120318	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"614008"	533.185868	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1116414"	193.054768	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1399575"	129.038937333333	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1430838"	387.143846	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"220657"	368.15334	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1509089"	401.19589	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"408894"	371.107288	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"775248"	541.172838	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1670487"	201.041738	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"254090"	744.277968	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1226800"	404.146868	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1713864"	404.170393	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1185415"	136.366251333333	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1657860"	409.125788	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"158527"	757.18124	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"597185"	1097.31234	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1084201"	417.05014	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"141602"	379.094258	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"581418"	549.159808	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1068753"	209.028708	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1100453"	419.064692	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1335746"	419.152307	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1005660"	423.191476	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1524706"	424.185108	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"990082"	212.099376	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1589081"	425.099728	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1416929"	455.131238	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1151594"	232.612651	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1702240"	472.157785	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1640077"	477.11318	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1584475"	493.08712	"C15510"	"4-Glyceollidin;4-Dimethylallylglycinol;4-Dimethylallyl-(6aS11aS)-36a9-trihydroxypterocarpan"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"814475"	338.1154	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M"	0
"979624"	319.09701	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"75527"	224.402990666667	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"513996"	337.108124	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"889611"	111.697857333333	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"7092"	337.108124	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"452121"	506.165824	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"831749"	168.050424	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"85542"	675.223524	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"529476"	1013.338924	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"908372"	337.108124	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"60319"	692.250071	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"500120"	1030.365471	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"874642"	354.134671	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"39265"	697.205466	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"479192"	1035.320866	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"858824"	359.090066	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1625076"	359.090066	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"109267"	355.096463	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"548340"	524.154163	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"940152"	186.038763	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"279801"	711.200202	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"672710"	1049.315602	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1282437"	373.084802	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"17341"	713.179406	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"457993"	1051.294806	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"836890"	375.064006	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1559284"	375.064006	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"952635"	383.113594	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"366474"	721.229001	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"359841"	735.244651	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1508200"	397.129251	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"974148"	405.095551	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"124396"	373.084802	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"560675"	542.142502	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1027286"	204.027102	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1255613"	417.034285	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1310407"	419.090272	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1334464"	441.072229	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"925520"	451.100986	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1300041"	487.077664	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1369455"	303.102724	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1389139"	321.1127	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"285544"	677.238076	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"677965"	1015.353476	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1360877"	339.122676	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"135952"	339.122676	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"577699"	508.180376	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1050875"	170.064976	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"219151"	226.417542666667	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"657247"	339.122676	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1175007"	113.712409333333	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"438889"	694.264623	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"801102"	1032.380023	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1688316"	356.149223	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"342058"	347.6359495	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"731201"	516.6936495	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1481743"	178.5782495	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"393618"	699.220018	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"754980"	1037.335418	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1604413"	361.104618	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"316274"	350.113647	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"708696"	519.171347	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1467986"	181.055947	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1063420"	121.039723333333	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1262912"	371.148886	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"377841"	715.193958	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"738953"	1053.309358	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1546723"	377.078558	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"299281"	358.100617	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"696321"	527.158317	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1450506"	189.042917	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"246398"	718.264626	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1212547"	380.149226	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1202991"	190.578251	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"198048"	721.20196	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"628730"	1059.31736	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1132726"	383.08656	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"174190"	361.104618	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"613995"	530.162318	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1117134"	192.046918	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1399929"	128.367037333333	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1431195"	385.128146	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"220767"	366.13764	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1509078"	399.18019	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"409367"	369.091588	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"776087"	538.149288	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1668773"	200.033888	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"255293"	740.246568	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1227274"	402.131168	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1714703"	402.154693	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1185161"	135.694351333333	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1655418"	407.110088	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"160463"	753.14984	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"597953"	1091.26524	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1085991"	415.03444	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"142688"	377.078558	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"581998"	546.136258	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1069434"	208.020858	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1100442"	417.048992	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1336829"	417.136607	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1005972"	421.175776	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1524451"	422.169408	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"990416"	211.091526	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1590282"	423.084028	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1418132"	453.115538	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1151704"	231.604801	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1702350"	470.142085	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1640187"	475.09748	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1584585"	491.07142	"C15511"	"Glyceollin III"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"814949"	134.0732	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M"	0
"987389"	115.05481	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-H2O-H"	-19.01839
"75637"	88.3748573333333	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M-3H"	-3.021828
"514106"	133.065924	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M-3H"	-3.021828
"891908"	43.6837906666667	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-3H"	-3.021828
"6108"	133.065924	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M-2H"	-2.014552
"452231"	200.102524	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M-2H"	-2.014552
"828940"	66.029324	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-2H"	-2.014552
"83465"	267.139124	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M-H"	-1.007276
"526306"	401.212324	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M-H"	-1.007276
"907389"	133.065924	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-H"	-1.007276
"56298"	284.165671	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M-2H+NH4"	16.019271
"499137"	418.238871	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M-2H+NH4"	16.019271
"877912"	150.092471	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-2H+NH4"	16.019271
"34999"	289.121066	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M-2H+Na"	20.974666
"480031"	423.194266	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M-2H+Na"	20.974666
"860027"	155.047866	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-2H+Na"	20.974666
"1626279"	155.047866	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Na-2H"	20.974666
"108283"	151.054263	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M-H+Cl"	33.962126
"545656"	218.090863	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M-H+Cl"	33.962126
"939170"	84.017663	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-H+Cl"	33.962126
"279911"	303.115802	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+Cl"	34.969402
"673062"	437.189002	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+Cl"	34.969402
"1282547"	169.042602	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Cl"	34.969402
"19637"	305.095006	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M-2H+K"	36.948606
"460289"	439.168206	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M-2H+K"	36.948606
"839186"	171.021806	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-2H+K"	36.948606
"1562673"	171.021806	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+K-2H"	36.948606
"952745"	179.071394	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-H+HCOOH"	44.998194
"366584"	313.144601	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+HCOOH-H"	44.998201
"361235"	327.160251	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+Hac-H"	59.013851
"1508061"	193.087051	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Hac-H"	59.013851
"973865"	201.053351	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-H+NaCOOH"	66.980151
"125646"	169.042602	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+2Cl"	69.938804
"559692"	236.079202	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+2Cl"	69.938804
"1028489"	102.006002	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2Cl"	69.938804
"1250254"	212.992085	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Br"	78.918885
"1309423"	215.048072	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Cl+HCOOH"	80.974872
"1333480"	237.030029	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Cl+NaCOOH"	102.956829
"924536"	247.058786	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M-H+CF3COOH"	112.985586
"1293591"	283.035464	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Cl+CF3COOH"	148.962264
"1368226"	99.060524	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H-2H2O"	-35.012676
"1389249"	117.0705	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H-H2O"	-17.0027
"285288"	269.153676	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+H"	1.007276
"676736"	403.226876	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+H"	1.007276
"1354058"	135.080476	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H"	1.007276
"129863"	135.080476	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+2H"	2.014552
"570153"	202.117076	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+2H"	2.014552
"1043328"	68.043876	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2H"	2.014552
"215606"	90.3894093333333	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+3H"	3.021828
"658450"	135.080476	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+3H"	3.021828
"1172200"	45.6983426666667	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+3H"	3.021828
"437296"	286.180223	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+NH4"	18.033823
"798654"	420.253423	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+NH4"	18.033823
"1689521"	152.107023	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+NH4"	18.033823
"337796"	143.5937495	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+H+NH4"	19.041099
"729125"	210.6303495	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+H+NH4"	19.041099
"1482945"	76.5571495	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H+NH4"	19.041099
"394337"	291.135618	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+Na"	22.989218
"757156"	425.208818	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+Na"	22.989218
"1604403"	157.062418	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Na"	22.989218
"315290"	146.071447	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+H+Na"	23.996494
"708805"	213.108047	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+H+Na"	23.996494
"1468095"	79.034847	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H+Na"	23.996494
"1058062"	53.0256566666667	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2H+Na"	25.00377
"1263022"	167.106686	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+CH3OH+H"	33.033486
"379166"	307.109558	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+K"	38.963158
"740162"	441.182758	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+K"	38.963158
"1540633"	173.036358	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+K"	38.963158
"304373"	154.058417	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+H+K"	39.970434
"692660"	221.095017	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+H+K"	39.970434
"1448793"	87.021817	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H+K"	39.970434
"239947"	310.180226	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+ACN+H"	42.033826
"1213021"	176.107026	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+ACN+H"	42.033826
"1199821"	88.557151	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+ACN+2H"	43.041102
"192691"	313.11756	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+2Na-H"	44.97116
"628722"	447.19076	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+2Na-H"	44.97116
"1132716"	179.04436	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2Na-H"	44.97116
"173127"	157.062418	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+2Na"	45.978436
"613498"	224.099018	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+2Na"	45.978436
"1116760"	90.025818	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2Na"	45.978436
"1399068"	60.3529706666667	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H+2Na"	46.985712
"1431063"	181.085946	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H+HCOOH"	47.012746
"220311"	162.09544	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+3H2O+2H"	56.04448
"1509067"	195.13799	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+IsoProp+H"	61.06479
"409725"	165.049388	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+Na+K"	61.952376
"770970"	232.085988	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+Na+K"	61.952376
"1669613"	98.012788	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Na+K"	61.952376
"252486"	332.162168	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+ACN+Na"	64.015768
"1229572"	198.088968	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+ACN+Na"	64.015768
"1715540"	198.112493	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+NH4+HCOOH"	64.039293
"1180532"	67.6802846666667	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+3Na"	68.967654
"1658081"	203.067888	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Na+HCOOH"	68.994688
"161665"	345.06544	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+2K-H"	76.91904
"598428"	479.13864	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+2K-H"	76.91904
"1086832"	210.99224	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2K-H"	76.91904
"142308"	173.036358	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"2M+2K"	77.926316
"581866"	240.072958	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"3M+2K"	77.926316
"1068810"	105.999758	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2K"	77.926316
"1100555"	213.006792	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2K+H"	78.933592
"1336334"	213.094407	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+DMSO+H"	79.021207
"1006073"	217.133576	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2ACN+H"	83.060376
"1524686"	218.127208	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+IsoProp+Na+H"	84.054008
"990648"	109.070426	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+2ACN+2H"	84.067652
"1587099"	219.041828	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+K+HCOOH"	84.968628
"1417149"	249.073338	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+H+CF3COOH"	115.000138
"1155093"	129.583701	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+3ACN+2H"	125.094202
"1702460"	266.099885	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+NH4+CF3COOH"	132.026685
"1640297"	271.05528	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+Na+CF3COOH"	136.98208
"1584695"	287.02922	"C15512"	"Phenylacetone;1-Phenyl-2-propanone"	"C9H10O"	"134.0732"	"M+K+CF3COOH"	152.95602
"813966"	150.0681	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M"	0
"986406"	131.04971	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"72468"	99.038124	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"513123"	149.060824	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"892018"	49.015424	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"9500"	149.060824	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"451249"	224.094874	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"829052"	74.026774	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"84669"	299.128924	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"529698"	449.197024	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"905313"	149.060824	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"58595"	316.155471	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"497062"	466.223571	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"874863"	166.087371	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"35475"	321.110866	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"479048"	471.178966	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"860137"	171.042766	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1627482"	171.042766	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"109812"	167.049163	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"547952"	242.083213	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"938184"	92.015113	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"275647"	335.105602	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"666975"	485.173702	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1281563"	185.037502	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"21934"	337.084806	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"458213"	487.152906	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"839296"	187.016706	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1562783"	187.016706	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"953584"	195.066294	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"366694"	345.134401	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"359330"	359.150051	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1508427"	209.081951	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"974015"	217.048251	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"125432"	185.037502	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"564905"	260.071552	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1031880"	110.003452	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1250364"	228.986985	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1310627"	231.042972	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1334683"	253.024929	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"922459"	263.053686	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1293701"	299.030364	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1367973"	115.055424	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1389359"	133.0654	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"286857"	301.143476	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"679278"	451.211576	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1354535"	151.075376	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"131797"	151.075376	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"570263"	226.109426	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1044532"	76.041326	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"215716"	101.052676	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"658199"	151.075376	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1172310"	51.029976	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"437770"	318.170023	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"798764"	468.238123	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1689631"	168.101923	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"339000"	159.5886495	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"728142"	234.6226995	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1477954"	84.5545995	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"392857"	323.125418	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"757266"	473.193518	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1604513"	173.057318	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"314627"	162.066347	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"708915"	237.100397	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1469299"	87.032297	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1058172"	58.35729	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1260945"	183.101586	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"378791"	339.099358	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"738932"	489.167458	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1540375"	189.031258	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"300837"	170.053317	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"693259"	245.087367	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1449633"	95.019267	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"242244"	342.170026	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1213860"	192.101926	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1199931"	96.554601	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"192802"	345.10736	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"628876"	495.17546	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1133680"	195.03926	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"173198"	173.057318	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"612929"	248.091368	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1116020"	98.023268	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1399545"	65.684604	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1430937"	197.080846	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"220626"	178.09034	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1508707"	211.13289	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"408742"	181.044288	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"770838"	256.078338	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1666807"	106.010238	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"254420"	364.151968	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1229318"	214.083868	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1719662"	214.107393	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1180643"	73.011918	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1652724"	219.062788	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"159710"	377.05524	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"599512"	527.12334	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1085237"	226.98714	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"143150"	189.031258	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"581734"	264.065308	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1068800"	113.997208	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1100416"	229.001692	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1335606"	229.089307	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1005798"	233.128476	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1524162"	234.122108	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"990164"	117.067876	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1587046"	235.036728	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1419445"	265.068238	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1153014"	137.581151	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1702570"	282.094785	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1640407"	287.05018	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1584805"	303.02412	"C15513"	"Benzyl acetate"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"814076"	280.1311	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M"	0
"979954"	261.11271	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-H2O-H"	-19.01839
"74401"	185.746790666667	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M-3H"	-3.021828
"516514"	279.123824	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M-3H"	-3.021828
"894196"	92.3697573333333	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-3H"	-3.021828
"10704"	279.123824	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M-2H"	-2.014552
"451358"	419.189374	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M-2H"	-2.014552
"829162"	139.058274	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-2H"	-2.014552
"86966"	559.254924	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M-H"	-1.007276
"526527"	839.386024	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M-H"	-1.007276
"908948"	279.123824	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-H"	-1.007276
"61259"	576.281471	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M-2H+NH4"	16.019271
"499238"	856.412571	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M-2H+NH4"	16.019271
"874976"	296.150371	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-2H+NH4"	16.019271
"41781"	581.236866	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M-2H+Na"	20.974666
"475144"	861.367966	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M-2H+Na"	20.974666
"860247"	301.105766	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-2H+Na"	20.974666
"1624312"	301.105766	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Na-2H"	20.974666
"109229"	297.112163	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M-H+Cl"	33.962126
"546969"	437.177713	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M-H+Cl"	33.962126
"935014"	157.046613	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-H+Cl"	33.962126
"274664"	595.231602	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+Cl"	34.969402
"667085"	875.362702	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+Cl"	34.969402
"1279487"	315.100502	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Cl"	34.969402
"20951"	597.210806	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M-2H+K"	36.948606
"457227"	877.341906	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M-2H+K"	36.948606
"833450"	317.079706	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-2H+K"	36.948606
"1562893"	317.079706	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+K-2H"	36.948606
"949683"	325.129294	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-H+HCOOH"	44.998194
"364617"	605.260401	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+HCOOH-H"	44.998201
"357252"	619.276051	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+Hac-H"	59.013851
"1508380"	339.144951	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Hac-H"	59.013851
"974048"	347.111251	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-H+NaCOOH"	66.980151
"125542"	315.100502	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+2Cl"	69.938804
"565381"	455.166052	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+2Cl"	69.938804
"1030897"	175.034952	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2Cl"	69.938804
"1248288"	359.049985	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Br"	78.918885
"1310737"	361.105972	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Cl+HCOOH"	80.974872
"1332606"	383.087929	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Cl+NaCOOH"	102.956829
"921477"	393.116686	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M-H+CF3COOH"	112.985586
"1291625"	429.093364	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Cl+CF3COOH"	148.962264
"1368692"	245.118424	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H-2H2O"	-35.012676
"1389469"	263.1284	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H-H2O"	-17.0027
"283686"	561.269476	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+H"	1.007276
"678296"	841.400576	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+H"	1.007276
"1357925"	281.138376	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H"	1.007276
"131907"	281.138376	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+2H"	2.014552
"570373"	421.203926	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+2H"	2.014552
"1042456"	141.072826	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2H"	2.014552
"215826"	187.761342666667	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+3H"	3.021828
"658309"	281.138376	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+3H"	3.021828
"1171329"	94.3843093333333	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+3H"	3.021828
"434600"	578.296023	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+NH4"	18.033823
"797782"	858.427123	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+NH4"	18.033823
"1691930"	298.164923	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+NH4"	18.033823
"335832"	289.6516495	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+H+NH4"	19.041099
"722950"	429.7171995	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+H+NH4"	19.041099
"1478186"	149.5860995	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H+NH4"	19.041099
"393097"	583.251418	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+Na"	22.989218
"757376"	863.382518	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+Na"	22.989218
"1605474"	303.120318	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Na"	22.989218
"319885"	292.129347	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+H+Na"	23.996494
"712306"	432.194897	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+H+Na"	23.996494
"1468316"	152.063797	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H+Na"	23.996494
"1060469"	101.711623333333	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2H+Na"	25.00377
"1262149"	313.164586	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+CH3OH+H"	33.033486
"380725"	599.225358	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+K"	38.963158
"739042"	879.356458	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+K"	38.963158
"1540121"	319.094258	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+K"	38.963158
"299242"	300.116317	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+H+K"	39.970434
"698108"	440.181867	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+H+K"	39.970434
"1453023"	160.050767	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H+K"	39.970434
"244541"	602.296026	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+ACN+H"	42.033826
"1216157"	322.164926	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+ACN+H"	42.033826
"1200041"	161.586101	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+ACN+2H"	43.041102
"197285"	605.23336	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+2Na-H"	44.97116
"633566"	885.36446	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+2Na-H"	44.97116
"1135978"	325.10226	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2Na-H"	44.97116
"174160"	303.120318	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+2Na"	45.978436
"614084"	443.185868	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+2Na"	45.978436
"1118319"	163.054768	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2Na"	45.978436
"1399779"	109.038937333333	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H+2Na"	46.985712
"1431412"	327.143846	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H+HCOOH"	47.012746
"221953"	308.15334	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+3H2O+2H"	56.04448
"1510262"	341.19589	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+IsoProp+H"	61.06479
"410310"	311.107288	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+Na+K"	61.952376
"770584"	451.172838	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+Na+K"	61.952376
"1667282"	171.041738	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Na+K"	61.952376
"251728"	624.277968	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+ACN+Na"	64.015768
"1226149"	344.146868	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+ACN+Na"	64.015768
"1713691"	344.170393	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+NH4+HCOOH"	64.039293
"1178606"	116.366251333333	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+3Na"	68.967654
"1650035"	349.125788	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Na+HCOOH"	68.994688
"157267"	637.18124	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+2K-H"	76.91904
"597550"	917.31234	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+2K-H"	76.91904
"1084332"	357.05014	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2K-H"	76.91904
"141464"	319.094258	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"2M+2K"	77.926316
"581721"	459.159808	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"3M+2K"	77.926316
"1068896"	179.028708	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2K"	77.926316
"1100404"	359.064692	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2K+H"	78.933592
"1335779"	359.152307	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+DMSO+H"	79.021207
"1005668"	363.191476	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2ACN+H"	83.060376
"1524312"	364.185108	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+IsoProp+Na+H"	84.054008
"990002"	182.099376	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+2ACN+2H"	84.067652
"1587154"	365.099728	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+K+HCOOH"	84.968628
"1414686"	395.131238	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+H+CF3COOH"	115.000138
"1152032"	202.612651	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+3ACN+2H"	125.094202
"1705960"	412.157785	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+NH4+CF3COOH"	132.026685
"1640517"	417.11318	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+Na+CF3COOH"	136.98208
"1584915"	433.08712	"C15514"	"8-Hydroxyabscisate;8-Hydroxyabscisic acid"	"C15H20O5"	"280.1311"	"M+K+CF3COOH"	152.95602
"815279"	392.2927	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M"	0
"984438"	373.27431	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"74875"	260.521190666667	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"513344"	391.285424	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"892237"	129.756957333333	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"7533"	391.285424	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"452562"	587.431774	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"829272"	195.139074	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"84890"	783.578124	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"526637"	1175.870824	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"905533"	391.285424	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"53350"	800.604671	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"498376"	1192.897371	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"875693"	408.311971	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"42985"	805.560066	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"473433"	1197.852766	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"851965"	413.267366	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1623327"	413.267366	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"105327"	409.273763	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"549142"	605.420113	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"935124"	213.127413	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"271494"	819.554802	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"663915"	1211.847502	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1281785"	427.262102	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"18874"	821.534006	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"455954"	1213.826706	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"835137"	429.241306	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1556442"	429.241306	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"947606"	437.290894	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"361400"	829.583601	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"356998"	843.599251	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1508106"	451.306551	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"972899"	459.272851	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"125567"	427.262102	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"565009"	623.408452	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1035016"	231.115752	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1251678"	471.211585	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1314126"	473.267572	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1331623"	495.249529	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"921587"	505.278286	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1293921"	541.254964	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1369895"	357.280024	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1383502"	375.29	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"287078"	785.592676	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"683872"	1177.885376	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1358035"	393.299976	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"132016"	393.299976	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"570483"	589.446326	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1041471"	197.153626	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"215936"	262.535742666667	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"656596"	393.299976	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1169254"	131.771509333333	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"428150"	802.619223	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"796799"	1194.911923	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1688759"	410.326523	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"334850"	401.8132495	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"726180"	597.9595995	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1477566"	205.6668995	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"393809"	807.574618	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"756148"	1199.867318	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1604488"	415.281918	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"315743"	404.290947	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"710229"	600.437297	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1462959"	208.144597	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1056205"	139.098823333333	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1262624"	425.326186	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"381202"	823.548558	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"742926"	1215.841258	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1546071"	431.255858	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"302517"	412.277917	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"696395"	608.424267	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1450946"	216.131567	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"243558"	826.619226	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1215173"	434.326526	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1202338"	217.666901	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"197396"	829.55656	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"635865"	1221.84926	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1133173"	437.26386	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"175003"	415.281918	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"616019"	611.428268	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1118432"	219.135568	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1401226"	146.426137333333	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1432614"	439.305446	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"222673"	420.31494	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1512924"	453.35749	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"411515"	423.268888	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"772143"	619.415238	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1669214"	227.122538	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"253912"	848.601168	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1228445"	456.308468	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1713196"	456.331993	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1183415"	153.753451333333	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1650756"	461.287388	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"159077"	861.50444	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"597662"	1253.79714	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1084602"	469.21174	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"141783"	431.255858	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"581708"	627.402208	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1068848"	235.109508	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1100677"	471.226292	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1335770"	471.313907	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1005678"	475.353076	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1524204"	476.346708	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"990249"	238.180176	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1587114"	477.261328	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1414182"	507.292838	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1147193"	258.693451	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1697318"	524.319385	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1637344"	529.27478	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1585025"	545.24872	"C15515"	"Murideoxycholic acid;Murideoxycholate;6beta-Hydroxylithocholate;3alpha6beta-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"816956"	515.2917	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M"	0
"989791"	496.27331	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-H2O-H"	-19.01839
"78254"	342.520524	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M-3H"	-3.021828
"516734"	514.284424	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M-3H"	-3.021828
"895225"	170.756624	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-3H"	-3.021828
"14575"	514.284424	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M-2H"	-2.014552
"454859"	771.930274	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M-2H"	-2.014552
"831936"	256.638574	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-2H"	-2.014552
"82817"	1029.576124	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M-H"	-1.007276
"522012"	1544.867824	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M-H"	-1.007276
"900543"	514.284424	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-H"	-1.007276
"51636"	1046.602671	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M-2H+NH4"	16.019271
"499580"	1561.894371	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M-2H+NH4"	16.019271
"877992"	531.310971	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-2H+NH4"	16.019271
"45892"	1051.558066	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M-2H+Na"	20.974666
"479379"	1566.849766	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M-2H+Na"	20.974666
"857179"	536.266366	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-2H+Na"	20.974666
"1625625"	536.266366	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Na-2H"	20.974666
"103249"	532.272763	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M-H+Cl"	33.962126
"542811"	789.918613	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M-H+Cl"	33.962126
"936327"	274.626913	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-H+Cl"	33.962126
"275975"	1065.552802	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+Cl"	34.969402
"668397"	1580.844502	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+Cl"	34.969402
"1279707"	550.261102	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Cl"	34.969402
"17891"	1067.532006	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M-2H+K"	36.948606
"457081"	1582.823706	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M-2H+K"	36.948606
"835251"	552.240306	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-2H+K"	36.948606
"1558741"	552.240306	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+K-2H"	36.948606
"947717"	560.289894	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-H+HCOOH"	44.998194
"365931"	1075.581601	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+HCOOH-H"	44.998201
"357472"	1089.597251	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+Hac-H"	59.013851
"1507163"	574.305551	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Hac-H"	59.013851
"972400"	582.271851	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-H+NaCOOH"	66.980151
"123853"	550.261102	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+2Cl"	69.938804
"563778"	807.906952	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+2Cl"	69.938804
"1027837"	292.615252	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2Cl"	69.938804
"1250695"	594.210585	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Br"	78.918885
"1314237"	596.266572	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Cl+HCOOH"	80.974872
"1334043"	618.248529	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Cl+NaCOOH"	102.956829
"922790"	628.277286	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M-H+CF3COOH"	112.985586
"1296218"	664.253964	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Cl+CF3COOH"	148.962264
"1377659"	480.279024	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H-2H2O"	-35.012676
"1389688"	498.289	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H-H2O"	-17.0027
"295571"	1031.590676	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+H"	1.007276
"689086"	1546.882376	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+H"	1.007276
"1366168"	516.298976	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H"	1.007276
"140512"	516.298976	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+2H"	2.014552
"573146"	773.944826	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+2H"	2.014552
"1045956"	258.653126	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2H"	2.014552
"215682"	344.535076	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+3H"	3.021828
"656706"	516.298976	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+3H"	3.021828
"1169364"	172.771176	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+3H"	3.021828
"434822"	1048.617223	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+NH4"	18.033823
"794722"	1563.908923	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+NH4"	18.033823
"1689963"	533.325523	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+NH4"	18.033823
"339333"	524.8122495	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+H+NH4"	19.041099
"729569"	782.4580995	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+H+NH4"	19.041099
"1480109"	267.1663995	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H+NH4"	19.041099
"398059"	1053.572618	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+Na"	22.989218
"758691"	1568.864318	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+Na"	22.989218
"1604967"	538.280918	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Na"	22.989218
"323388"	527.289947	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+H+Na"	23.996494
"714715"	784.935797	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+H+Na"	23.996494
"1465258"	269.644097	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H+Na"	23.996494
"1061786"	180.09849	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2H+Na"	25.00377
"1264557"	548.325186	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+CH3OH+H"	33.033486
"385321"	1069.546558	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+K"	38.963158
"747408"	1584.838258	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+K"	38.963158
"1549463"	554.254858	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+K"	38.963158
"307733"	535.276917	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+H+K"	39.970434
"700156"	792.922767	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+H+K"	39.970434
"1456161"	277.631067	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H+K"	39.970434
"243671"	1072.617226	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+ACN+H"	42.033826
"1218566"	557.325526	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+ACN+H"	42.033826
"1199899"	279.166401	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+ACN+2H"	43.041102
"193864"	1075.55456	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+2Na-H"	44.97116
"631235"	1590.84626	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+2Na-H"	44.97116
"1137659"	560.26286	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2Na-H"	44.97116
"176208"	538.280918	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+2Na"	45.978436
"615040"	795.926768	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+2Na"	45.978436
"1118910"	280.635068	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2Na"	45.978436
"1400246"	187.425804	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H+2Na"	46.985712
"1430904"	562.304446	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H+HCOOH"	47.012746
"225337"	543.31394	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+3H2O+2H"	56.04448
"1509754"	576.35649	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+IsoProp+H"	61.06479
"411264"	546.267888	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+Na+K"	61.952376
"772989"	803.913738	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+Na+K"	61.952376
"1672971"	288.622038	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Na+K"	61.952376
"257669"	1094.599168	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+ACN+Na"	64.015768
"1233295"	579.307468	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+ACN+Na"	64.015768
"1721089"	579.330993	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+NH4+HCOOH"	64.039293
"1184256"	194.753118	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+3Na"	68.967654
"1651962"	584.286388	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Na+HCOOH"	68.994688
"159920"	1107.50244	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+2K-H"	76.91904
"599845"	1622.79414	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+2K-H"	76.91904
"1084226"	592.21074	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2K-H"	76.91904
"141815"	554.254858	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"2M+2K"	77.926316
"582555"	811.900708	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"3M+2K"	77.926316
"1072539"	296.609008	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2K"	77.926316
"1099987"	594.225292	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2K+H"	78.933592
"1335967"	594.312907	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+DMSO+H"	79.021207
"1006768"	598.352076	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2ACN+H"	83.060376
"1526233"	599.345708	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+IsoProp+Na+H"	84.054008
"990613"	299.679676	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+2ACN+2H"	84.067652
"1587299"	600.260328	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+K+HCOOH"	84.968628
"1414789"	630.291838	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+H+CF3COOH"	115.000138
"1147877"	320.192951	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+3ACN+2H"	125.094202
"1701805"	647.318385	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+NH4+CF3COOH"	132.026685
"1637455"	652.27378	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+Na+CF3COOH"	136.98208
"1585135"	668.24772	"C15516"	"Taurohyocholate;N-(3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine"	"C26H45NO7S"	"515.2917"	"M+K+CF3COOH"	152.95602
"815140"	392.2927	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M"	0
"988309"	373.27431	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"68533"	260.521190666667	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"509188"	391.285424	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"890271"	129.756957333333	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"13950"	391.285424	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"453874"	587.431774	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"827304"	195.139074	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"93621"	783.578124	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"529049"	1175.870824	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"909766"	391.285424	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"61832"	800.604671	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"501881"	1192.897371	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"877129"	408.311971	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"46610"	805.560066	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"482769"	1197.852766	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"864018"	413.267366	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1625735"	413.267366	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"106641"	409.273763	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"545107"	605.420113	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"937530"	213.127413	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"274993"	819.554802	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"669602"	1211.847502	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1282004"	427.262102	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"23469"	821.534006	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"466309"	1213.826706	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"844111"	429.241306	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1558851"	429.241306	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"953295"	437.290894	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"367136"	829.583601	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"360500"	843.599251	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1507282"	451.306551	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"971048"	459.272851	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"123237"	427.262102	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"563528"	623.408452	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1029042"	231.115752	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1250807"	471.211585	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1311068"	473.267572	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1325284"	495.249529	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"923998"	505.278286	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1302528"	541.254964	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1380688"	357.280024	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1395631"	375.29	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"296049"	785.592676	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"690296"	1177.885376	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1365551"	393.299976	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"138075"	393.299976	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"577996"	589.446326	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1042057"	197.153626	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"215064"	262.535742666667	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"658278"	393.299976	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1177737"	131.771509333333	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"439432"	802.619223	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"799937"	1194.911923	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1695177"	410.326523	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"341631"	401.8132495	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"736607"	597.9595995	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1485686"	205.6668995	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"401088"	807.574618	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"762083"	1199.867318	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1606901"	415.281918	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"322405"	404.290947	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"715918"	600.437297	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1468648"	208.144597	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1065176"	139.098823333333	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1266855"	425.326186	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"386521"	823.548558	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"748612"	1215.841258	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1552852"	431.255858	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"311124"	412.277917	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"701357"	608.424267	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1458094"	216.131567	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"245969"	826.619226	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1218677"	434.326526	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1200010"	217.666901	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"195796"	829.55656	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"636449"	1221.84926	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1139589"	437.26386	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"181787"	415.281918	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"615150"	611.428268	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1117197"	219.135568	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1402181"	146.426137333333	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1432109"	439.305446	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"225813"	420.31494	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1510230"	453.35749	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"411010"	423.268888	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"770182"	619.415238	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1674171"	227.122538	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"258508"	848.601168	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1233406"	456.308468	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1721199"	456.331993	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1187647"	153.753451333333	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1661915"	461.287388	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"169871"	861.50444	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"607245"	1253.79714	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1090666"	469.21174	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"142986"	431.255858	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"584858"	627.402208	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1077023"	235.109508	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1100996"	471.226292	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1335797"	471.313907	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1006639"	475.353076	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1524639"	476.346708	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"992062"	238.180176	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1587029"	477.261328	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1416606"	507.292838	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1151268"	258.693451	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1703010"	524.319385	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1641940"	529.27478	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1585245"	545.24872	"C15517"	"Hyodeoxycholate;Hyodesoxycholic acid;6alpha-Hydroxylithocholate;Iodeoxycholic acid;3alpha6alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"815609"	418.3447	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M"	0
"981488"	399.32631	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"68643"	277.889190666667	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"509298"	417.337424	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"892568"	138.440957333333	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"7863"	417.337424	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"450703"	626.509774	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"827414"	208.165074	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"87409"	835.682124	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"521504"	1254.026824	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"898212"	417.337424	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"50765"	852.708671	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"492148"	1271.053371	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"878090"	434.363971	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"41859"	857.664066	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"475223"	1276.008766	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"853029"	439.319366	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1624752"	439.319366	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"106751"	435.325763	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"544124"	644.498113	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"935452"	226.153413	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"274010"	871.658802	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"669712"	1290.003502	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1276646"	453.314102	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"24673"	873.638006	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"466419"	1291.982706	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"838753"	455.293306	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1556774"	455.293306	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"946842"	463.342894	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"367246"	881.687601	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"359881"	895.703251	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1507390"	477.358551	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"972251"	485.324851	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"123347"	453.314102	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"564368"	662.486452	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1034619"	244.141752	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1249824"	497.263585	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1313365"	499.319572	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1334143"	521.301529	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"924836"	531.330286	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1302637"	567.306964	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1380069"	383.332024	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1396107"	401.342	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"296159"	837.696676	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"689313"	1256.041376	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1365296"	419.351976	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"138549"	419.351976	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"574096"	628.524326	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1041803"	210.179626	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"215174"	279.903742666667	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"659115"	419.351976	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1177606"	140.455509333333	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"438690"	854.723223	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"799930"	1273.067923	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1695409"	436.378523	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"342470"	427.8652495	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"734895"	637.0375995	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1485796"	218.6928995	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"403385"	859.678618	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"762195"	1278.023318	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1609197"	441.333918	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"322515"	430.342947	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"714939"	639.515297	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1468759"	221.170597	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1057631"	147.782823333333	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1266964"	451.378186	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"388821"	875.652558	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"752734"	1293.997258	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1551870"	457.307858	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"309047"	438.329917	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"699281"	647.502267	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1455288"	229.157567	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"244986"	878.723226	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1218789"	460.378526	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1199392"	230.692901	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"195543"	881.66056	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"638384"	1300.00526	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1139700"	463.31586	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"176431"	441.333918	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"615134"	650.506268	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1122776"	232.161568	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1401554"	155.110137333333	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1432580"	465.357446	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"226288"	446.36694	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1511799"	479.40949	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"412579"	449.320888	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"772845"	658.493238	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1674283"	240.148538	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"258618"	900.705168	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1232423"	482.360468	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1718394"	482.383993	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1188487"	162.437451333333	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1659839"	487.339388	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"168888"	913.60844	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"606262"	1331.95314	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1090776"	495.26374	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"143339"	457.307858	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"588249"	666.480208	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1079320"	248.135508	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1102689"	497.278292	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1337979"	497.365907	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1006021"	501.405076	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1526820"	502.398708	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"990471"	251.206176	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1588501"	503.313328	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1417809"	533.344838	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1151378"	271.719451	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1703120"	550.371385	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1640957"	555.32678	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1585355"	571.30072	"C15518"	"(24S)-Cholest-5-ene-3beta7alpha24-triol;5-Cholesten-3beta7alpha24(S)-triol"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"812439"	402.3498	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M"	0
"979411"	383.33141	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"66567"	267.225924	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"511596"	401.342524	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"889398"	133.109324	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"11254"	401.342524	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"450815"	602.517424	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"828618"	200.167624	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"87521"	803.692324	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"520154"	1206.042124	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"900509"	401.342524	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"51604"	820.718871	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"495538"	1223.068671	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"871152"	418.369071	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"39053"	825.674266	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"478251"	1228.024066	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"853502"	423.324466	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1619386"	423.324466	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"104674"	419.330863	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"539860"	620.505763	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"935561"	218.155963	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"273025"	839.669002	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"665447"	1242.018802	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1280034"	437.319202	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"18222"	841.648206	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"459967"	1243.998006	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"836674"	439.298406	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1560164"	439.298406	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"950234"	447.347994	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"367356"	849.697801	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"359991"	863.713451	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1507620"	461.363651	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"972365"	469.329951	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"123095"	437.319202	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"559370"	638.494102	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1029261"	236.144302	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1247747"	481.268685	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1310195"	483.324672	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1327691"	505.306629	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"916562"	515.335386	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1297642"	551.312064	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1371428"	367.337124	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1392207"	385.3471	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"290800"	805.706876	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"687231"	1208.056676	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1364675"	403.357076	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"139386"	403.357076	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"579671"	604.531976	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1040820"	202.182176	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"213096"	269.240476	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"656306"	403.357076	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1172974"	135.123876	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"435884"	822.733423	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"798339"	1225.083223	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1694304"	420.383623	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"341491"	411.8703495	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"733912"	613.0452495	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1487729"	210.6954495	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"401303"	827.688818	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"766681"	1230.038618	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1610400"	425.339018	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"321532"	414.348047	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"715049"	615.522947	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1470693"	213.173147	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1059929"	142.45119	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1265980"	435.383286	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"386745"	843.662758	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"744466"	1246.012558	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1549431"	441.312958	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"303694"	422.335017	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"698298"	623.509917	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1453214"	221.160117	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"240723"	846.733426	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1216711"	444.383626	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1199502"	222.695451	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"192008"	849.67076	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"628767"	1252.02056	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1140905"	447.32096	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"180915"	425.339018	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"616828"	626.513918	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1119969"	224.164118	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1401666"	149.778504	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1430620"	449.362546	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"222752"	430.37204	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1510084"	463.41459	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"411228"	433.325988	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"773320"	634.500888	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1672206"	232.151088	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"256900"	868.715368	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1231437"	466.365568	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1722147"	466.389093	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1186775"	157.105818	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1661043"	471.344488	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"166811"	881.61864	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"607466"	1283.96844	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1090887"	479.26884	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"143692"	441.312958	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"585079"	642.487858	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1076150"	240.138058	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1104986"	481.283392	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1340276"	481.371007	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1006049"	485.410176	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1524864"	486.403808	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"991190"	243.208726	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1588975"	487.318428	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1423387"	517.349938	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1153676"	263.722001	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1704323"	534.376485	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1641067"	539.33188	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1585465"	555.30582	"C15519"	"25-Hydroxycholesterol;Cholest-5-ene-3beta25-diol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"812549"	418.3447	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M"	0
"982801"	399.32631	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-H2O-H"	-19.01839
"72144"	277.889190666667	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M-3H"	-3.021828
"513893"	417.337424	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M-3H"	-3.021828
"891695"	138.440957333333	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-3H"	-3.021828
"8084"	417.337424	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M-2H"	-2.014552
"453112"	626.509774	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M-2H"	-2.014552
"830915"	208.165074	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-2H"	-2.014552
"88723"	835.682124	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M-H"	-1.007276
"522816"	1254.026824	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M-H"	-1.007276
"903898"	417.337424	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-H"	-1.007276
"52807"	852.708671	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M-2H+NH4"	16.019271
"494554"	1271.053371	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M-2H+NH4"	16.019271
"869439"	434.363971	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-2H+NH4"	16.019271
"38799"	857.664066	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M-2H+Na"	20.974666
"479818"	1276.008766	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M-2H+Na"	20.974666
"849600"	439.319366	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-2H+Na"	20.974666
"1620223"	439.319366	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Na-2H"	20.974666
"101504"	435.325763	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M-H+Cl"	33.962126
"538876"	644.498113	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M-H+Cl"	33.962126
"931298"	226.153413	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-H+Cl"	33.962126
"270949"	871.658802	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+Cl"	34.969402
"663371"	1290.003502	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+Cl"	34.969402
"1274678"	453.314102	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Cl"	34.969402
"21612"	873.638006	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M-2H+K"	36.948606
"457890"	1291.982706	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M-2H+K"	36.948606
"833051"	455.293306	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-2H+K"	36.948606
"1564647"	455.293306	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+K-2H"	36.948606
"951436"	463.342894	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-H+HCOOH"	44.998194
"369652"	881.687601	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+HCOOH-H"	44.998201
"360109"	895.703251	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+Hac-H"	59.013851
"1506753"	477.358551	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Hac-H"	59.013851
"971377"	485.324851	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-H+NaCOOH"	66.980151
"116638"	453.314102	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+2Cl"	69.938804
"559480"	662.486452	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+2Cl"	69.938804
"1030465"	244.141752	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2Cl"	69.938804
"1247857"	497.263585	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Br"	78.918885
"1309212"	499.319572	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Cl+HCOOH"	80.974872
"1325614"	521.301529	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Cl+NaCOOH"	102.956829
"913391"	531.330286	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M-H+CF3COOH"	112.985586
"1290099"	567.306964	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Cl+CF3COOH"	148.962264
"1370445"	383.332024	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H-2H2O"	-35.012676
"1392317"	401.342	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H-H2O"	-17.0027
"292003"	837.696676	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+H"	1.007276
"687705"	1256.041376	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+H"	1.007276
"1365877"	419.351976	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H"	1.007276
"138036"	419.351976	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+2H"	2.014552
"579785"	628.524326	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+2H"	2.014552
"1040930"	210.179626	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2H"	2.014552
"213206"	279.903742666667	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+3H"	3.021828
"656780"	419.351976	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+3H"	3.021828
"1170897"	140.455509333333	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+3H"	3.021828
"435263"	854.723223	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+NH4"	18.033823
"798814"	1273.067923	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+NH4"	18.033823
"1692590"	436.378523	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+NH4"	18.033823
"340506"	427.8652495	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+H+NH4"	19.041099
"733289"	637.0375995	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+H+NH4"	19.041099
"1489300"	218.6928995	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H+NH4"	19.041099
"401413"	859.678618	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+Na"	22.989218
"767884"	1278.023318	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+Na"	22.989218
"1608324"	441.333918	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Na"	22.989218
"323829"	430.342947	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+H+Na"	23.996494
"715159"	639.515297	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+H+Na"	23.996494
"1471896"	221.170597	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H+Na"	23.996494
"1060039"	147.782823333333	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2H+Na"	25.00377
"1270102"	451.378186	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+CH3OH+H"	33.033486
"390134"	875.652558	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+K"	38.963158
"744576"	1293.997258	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+K"	38.963158
"1550634"	457.307858	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+K"	38.963158
"306719"	438.329917	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+H+K"	39.970434
"699501"	647.502267	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+H+K"	39.970434
"1454417"	229.157567	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H+K"	39.970434
"243020"	878.723226	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+ACN+H"	42.033826
"1217915"	460.378526	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+ACN+H"	42.033826
"1199612"	230.692901	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+ACN+2H"	43.041102
"191389"	881.66056	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+2Na-H"	44.97116
"629124"	1300.00526	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+2Na-H"	44.97116
"1141015"	463.31586	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2Na-H"	44.97116
"178109"	441.333918	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+2Na"	45.978436
"616574"	650.506268	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+2Na"	45.978436
"1120079"	232.161568	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2Na"	45.978436
"1402869"	155.110137333333	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H+2Na"	46.985712
"1432433"	465.357446	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H+HCOOH"	47.012746
"221403"	446.36694	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+3H2O+2H"	56.04448
"1508975"	479.40949	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+IsoProp+H"	61.06479
"410610"	449.320888	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+Na+K"	61.952376
"773430"	658.493238	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+Na+K"	61.952376
"1672316"	240.148538	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Na+K"	61.952376
"257010"	900.705168	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+ACN+Na"	64.015768
"1233733"	482.360468	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+ACN+Na"	64.015768
"1721528"	482.383993	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+NH4+HCOOH"	64.039293
"1183603"	162.437451333333	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+3Na"	68.967654
"1652403"	487.339388	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Na+HCOOH"	68.994688
"163640"	913.60844	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+2K-H"	76.91904
"604295"	1331.95314	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+2K-H"	76.91904
"1090997"	495.26374	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2K-H"	76.91904
"146720"	457.307858	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"2M+2K"	77.926316
"587375"	666.480208	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"3M+2K"	77.926316
"1076260"	248.135508	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2K"	77.926316
"1106190"	497.278292	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2K+H"	78.933592
"1343666"	497.365907	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+DMSO+H"	79.021207
"1006360"	501.405076	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2ACN+H"	83.060376
"1525947"	502.398708	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+IsoProp+Na+H"	84.054008
"991300"	251.206176	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+2ACN+2H"	84.067652
"1592367"	503.313328	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+K+HCOOH"	84.968628
"1418030"	533.344838	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+H+CF3COOH"	115.000138
"1152693"	271.719451	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+3ACN+2H"	125.094202
"1706620"	550.371385	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+NH4+CF3COOH"	132.026685
"1641177"	555.32678	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+Na+CF3COOH"	136.98208
"1585575"	571.30072	"C15520"	"Cholest-5-ene-3beta7alpha25-triol;7alpha25-Dihydroxycholesterol;5-Cholesten-3beta7alpha25-triol;3beta7alpha25-Trihydroxycholest-5-ene"	"C27H46O3"	"418.3447"	"M+K+CF3COOH"	152.95602
"812660"	257.1124	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M"	0
"982918"	238.09401	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-H2O-H"	-19.01839
"73347"	170.400990666667	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M-3H"	-3.021828
"512908"	256.105124	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M-3H"	-3.021828
"888523"	84.6968573333333	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-3H"	-3.021828
"8194"	256.105124	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M-2H"	-2.014552
"455613"	384.661324	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M-2H"	-2.014552
"832608"	127.548924	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-2H"	-2.014552
"93699"	513.217524	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M-H"	-1.007276
"528395"	770.329924	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M-H"	-1.007276
"907291"	256.105124	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-H"	-1.007276
"51825"	530.244071	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M-2H+NH4"	16.019271
"494665"	787.356471	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M-2H+NH4"	16.019271
"879397"	273.131671	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-2H+NH4"	16.019271
"46079"	535.199466	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M-2H+Na"	20.974666
"476651"	792.311866	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M-2H+Na"	20.974666
"851173"	278.087066	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-2H+Na"	20.974666
"1628364"	278.087066	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Na-2H"	20.974666
"104894"	274.093463	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M-H+Cl"	33.962126
"540080"	402.649663	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M-H+Cl"	33.962126
"934691"	145.537263	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-H+Cl"	33.962126
"272153"	549.194202	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+Cl"	34.969402
"663482"	806.306602	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+Cl"	34.969402
"1282445"	292.081802	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Cl"	34.969402
"25000"	551.173406	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M-2H+K"	36.948606
"467841"	808.285806	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M-2H+K"	36.948606
"844550"	294.061006	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-2H+K"	36.948606
"1569498"	294.061006	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+K-2H"	36.948606
"953733"	302.110594	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-H+HCOOH"	44.998194
"374501"	559.223001	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+HCOOH-H"	44.998201
"360588"	573.238651	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+Hac-H"	59.013851
"1507843"	316.126251	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Hac-H"	59.013851
"972222"	324.092551	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-H+NaCOOH"	66.980151
"124040"	292.081802	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+2Cl"	69.938804
"558497"	420.638002	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+2Cl"	69.938804
"1032763"	163.525602	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2Cl"	69.938804
"1250155"	336.031285	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Br"	78.918885
"1312603"	338.087272	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Cl+HCOOH"	80.974872
"1330099"	360.069229	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Cl+NaCOOH"	102.956829
"917877"	370.097986	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M-H+CF3COOH"	112.985586
"1296771"	406.074664	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Cl+CF3COOH"	148.962264
"1376025"	222.099724	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H-2H2O"	-35.012676
"1393521"	240.1097	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H-H2O"	-17.0027
"292114"	515.232076	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+H"	1.007276
"690002"	772.344476	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+H"	1.007276
"1361977"	258.119676	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H"	1.007276
"133773"	258.119676	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+2H"	2.014552
"579531"	386.675876	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+2H"	2.014552
"1049427"	129.563476	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2H"	2.014552
"215144"	172.415542666667	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+3H"	3.021828
"656163"	258.119676	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+3H"	3.021828
"1173194"	86.7114093333333	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+3H"	3.021828
"435739"	532.258623	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+NH4"	18.033823
"797829"	789.371023	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+NH4"	18.033823
"1693065"	275.146223	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+NH4"	18.033823
"344262"	266.6329495	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+H+NH4"	19.041099
"735221"	395.1891495	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+H+NH4"	19.041099
"1485033"	138.0767495	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H+NH4"	19.041099
"403709"	537.214018	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+Na"	22.989218
"767265"	794.326418	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+Na"	22.989218
"1609528"	280.101618	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Na"	22.989218
"320657"	269.110647	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+H+Na"	23.996494
"714176"	397.666847	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+H+Na"	23.996494
"1471276"	140.554447	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H+Na"	23.996494
"1063425"	94.0387233333333	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2H+Na"	25.00377
"1266564"	290.145886	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+CH3OH+H"	33.033486
"388054"	553.187958	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+K"	38.963158
"752335"	810.300358	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+K"	38.963158
"1554025"	296.075558	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+K"	38.963158
"311930"	277.097617	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+H+K"	39.970434
"702891"	405.653817	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+H+K"	39.970434
"1457807"	148.541417	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H+K"	39.970434
"248594"	556.258626	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+ACN+H"	42.033826
"1220209"	299.146226	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+ACN+H"	42.033826
"1207373"	150.076751	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+ACN+2H"	43.041102
"198058"	559.19596	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+2Na-H"	44.97116
"640899"	816.30836	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+2Na-H"	44.97116
"1142217"	302.08356	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2Na-H"	44.97116
"185507"	280.101618	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+2Na"	45.978436
"617414"	408.657818	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+2Na"	45.978436
"1119458"	151.545418	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2Na"	45.978436
"1401527"	101.366037333333	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H+2Na"	46.985712
"1432913"	304.125146	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H+HCOOH"	47.012746
"221149"	285.13464	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+3H2O+2H"	56.04448
"1512129"	318.17719	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+IsoProp+H"	61.06479
"411448"	288.088588	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+Na+K"	61.952376
"773538"	416.644788	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+Na+K"	61.952376
"1672426"	159.532388	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Na+K"	61.952376
"254935"	578.240568	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+ACN+Na"	64.015768
"1232749"	321.128168	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+ACN+Na"	64.015768
"1720543"	321.151693	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+NH4+HCOOH"	64.039293
"1181525"	108.693351333333	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+3Na"	68.967654
"1655795"	326.107088	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Na+HCOOH"	68.994688
"163750"	591.14384	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+2K-H"	76.91904
"610967"	848.25624	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+2K-H"	76.91904
"1090014"	334.03144	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2K-H"	76.91904
"147924"	296.075558	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"2M+2K"	77.926316
"591858"	424.631758	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"3M+2K"	77.926316
"1082444"	167.519358	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2K"	77.926316
"1107394"	336.045992	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2K+H"	78.933592
"1341589"	336.133607	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+DMSO+H"	79.021207
"1015585"	340.172776	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2ACN+H"	83.060376
"1532617"	341.166408	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+IsoProp+Na+H"	84.054008
"992503"	170.590026	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+2ACN+2H"	84.067652
"1590290"	342.081028	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+K+HCOOH"	84.968628
"1420327"	372.112538	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+H+CF3COOH"	115.000138
"1151708"	191.103301	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+3ACN+2H"	125.094202
"1706730"	389.139085	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+NH4+CF3COOH"	132.026685
"1641286"	394.09448	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+Na+CF3COOH"	136.98208
"1585686"	410.06842	"C15522"	"4a-Hydroxytetrahydrobiopterin;4a-Hydroxy-5648-tetrahydrobiopterin;(6R)-6-(L-erythro-12-Dihydroxypropyl)-5678-tetrahydro-4a-hydroxypterin"	"C9H15N5O4"	"257.1124"	"M+K+CF3COOH"	152.95602
"812770"	155.0219	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M"	0
"983030"	136.00351	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-H2O-H"	-19.01839
"74553"	102.340657333333	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M-3H"	-3.021828
"515206"	154.014624	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M-3H"	-3.021828
"894102"	50.6666906666667	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-3H"	-3.021828
"11585"	154.014624	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M-2H"	-2.014552
"454551"	231.525574	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M-2H"	-2.014552
"831996"	76.503674	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-2H"	-2.014552
"93810"	309.036524	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M-H"	-1.007276
"529598"	464.058424	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M-H"	-1.007276
"910808"	154.014624	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-H"	-1.007276
"55216"	326.063071	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M-2H+NH4"	16.019271
"502678"	481.084971	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M-2H+NH4"	16.019271
"879874"	171.041171	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-2H+NH4"	16.019271
"47088"	331.018466	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M-2H+Na"	20.974666
"478948"	486.040366	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M-2H+Na"	20.974666
"852377"	175.996566	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-2H+Na"	20.974666
"1628475"	175.996566	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Na-2H"	20.974666
"100631"	172.002963	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M-H+Cl"	33.962126
"542376"	249.513913	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M-H+Cl"	33.962126
"933703"	94.492013	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-H+Cl"	33.962126
"274448"	345.013202	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+Cl"	34.969402
"666869"	500.035102	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+Cl"	34.969402
"1279272"	189.991302	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Cl"	34.969402
"21827"	346.992406	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M-2H+K"	36.948606
"462483"	502.014306	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M-2H+K"	36.948606
"843565"	191.970506	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-2H+K"	36.948606
"1564866"	191.970506	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+K-2H"	36.948606
"946915"	200.020094	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-H+HCOOH"	44.998194
"369871"	355.042001	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+HCOOH-H"	44.998201
"361021"	369.057651	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+Hac-H"	59.013851
"1507218"	214.035751	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Hac-H"	59.013851
"972698"	222.002051	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-H+NaCOOH"	66.980151
"124522"	189.991302	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+2Cl"	69.938804
"565174"	267.502252	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+2Cl"	69.938804
"1036985"	112.480352	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2Cl"	69.938804
"1256466"	233.940785	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Br"	78.918885
"1318550"	235.996772	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Cl+HCOOH"	80.974872
"1335196"	257.978729	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Cl+NaCOOH"	102.956829
"925275"	268.007486	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M-H+CF3COOH"	112.985586
"1301984"	303.984164	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Cl+CF3COOH"	148.962264
"1380145"	120.009224	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H-2H2O"	-35.012676
"1390351"	138.0192	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H-H2O"	-17.0027
"292224"	311.051076	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+H"	1.007276
"688292"	466.072976	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+H"	1.007276
"1364277"	156.029176	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H"	1.007276
"134977"	156.029176	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+2H"	2.014552
"576721"	233.540126	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+2H"	2.014552
"1047712"	78.518226	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2H"	2.014552
"216346"	104.355209333333	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+3H"	3.021828
"656637"	156.029176	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+3H"	3.021828
"1174399"	52.6812426666667	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+3H"	3.021828
"435484"	328.077623	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+NH4"	18.033823
"797573"	483.099523	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+NH4"	18.033823
"1693905"	173.055723	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+NH4"	18.033823
"343640"	164.5424495	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+H+NH4"	19.041099
"734605"	242.0533995	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+H+NH4"	19.041099
"1487330"	87.0314995	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H+NH4"	19.041099
"401632"	333.033018	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+Na"	22.989218
"757165"	488.054918	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+Na"	22.989218
"1618025"	178.011118	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Na"	22.989218
"320770"	167.020147	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+H+Na"	23.996494
"718660"	244.531097	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+H+Na"	23.996494
"1472480"	89.509197	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H+Na"	23.996494
"1060258"	60.0085566666667	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2H+Na"	25.00377
"1268133"	188.055386	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+CH3OH+H"	33.033486
"387074"	349.006958	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+K"	38.963158
"753418"	504.028858	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+K"	38.963158
"1555066"	193.985058	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+K"	38.963158
"310579"	175.007117	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+H+K"	39.970434
"703736"	252.518067	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+H+K"	39.970434
"1461270"	97.496167	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H+K"	39.970434
"249798"	352.077626	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+ACN+H"	42.033826
"1218135"	197.055726	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+ACN+H"	42.033826
"1209065"	99.031501	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+ACN+2H"	43.041102
"197076"	355.01496	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+2Na-H"	44.97116
"644131"	510.03686	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+2Na-H"	44.97116
"1136862"	199.99306	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2Na-H"	44.97116
"179061"	178.011118	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+2Na"	45.978436
"616062"	255.522068	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+2Na"	45.978436
"1122485"	100.500168	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2Na"	45.978436
"1403456"	67.3358706666667	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H+2Na"	46.985712
"1434114"	202.034646	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H+HCOOH"	47.012746
"222714"	183.04414	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+3H2O+2H"	56.04448
"1510778"	216.08669	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+IsoProp+H"	61.06479
"413022"	185.998088	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+Na+K"	61.952376
"772921"	263.509038	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+Na+K"	61.952376
"1671443"	108.487138	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Na+K"	61.952376
"259057"	374.059568	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+ACN+Na"	64.015768
"1233954"	219.037668	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+ACN+Na"	64.015768
"1719560"	219.061193	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+NH4+HCOOH"	64.039293
"1184915"	74.6631846666667	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+3Na"	68.967654
"1655905"	224.016588	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Na+HCOOH"	68.994688
"163860"	386.96284	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+2K-H"	76.91904
"612170"	541.98474	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+2K-H"	76.91904
"1097777"	231.94094	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2K-H"	76.91904
"155686"	193.985058	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"2M+2K"	77.926316
"594154"	271.496008	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"3M+2K"	77.926316
"1079759"	116.474108	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2K"	77.926316
"1105317"	233.955492	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2K+H"	78.933592
"1338420"	234.043107	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+DMSO+H"	79.021207
"1010229"	238.082276	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2ACN+H"	83.060376
"1530542"	239.075908	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+IsoProp+Na+H"	84.054008
"994804"	119.544776	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+2ACN+2H"	84.067652
"1594776"	239.990528	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+K+HCOOH"	84.968628
"1422623"	270.022038	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+H+CF3COOH"	115.000138
"1152911"	140.058051	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+3ACN+2H"	125.094202
"1707933"	287.048585	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+NH4+CF3COOH"	132.026685
"1639209"	292.00398	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+Na+CF3COOH"	136.98208
"1585796"	307.97792	"C15523"	"26-Dihydroxynicotinate"	"C6H5NO4"	"155.0219"	"M+K+CF3COOH"	152.95602
"811787"	899.1363	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M"	0
"983136"	880.11791	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-H2O-H"	-19.01839
"68098"	598.416924	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M-3H"	-3.021828
"513128"	898.129024	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M-3H"	-3.021828
"890931"	298.704824	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-3H"	-3.021828
"12788"	898.129024	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M-2H"	-2.014552
"454901"	1347.697174	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M-2H"	-2.014552
"831974"	448.560874	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-2H"	-2.014552
"93998"	1797.265324	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M-H"	-1.007276
"529708"	2696.401624	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M-H"	-1.007276
"911040"	898.129024	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-H"	-1.007276
"61888"	1814.291871	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M-2H+NH4"	16.019271
"502779"	2713.428171	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M-2H+NH4"	16.019271
"879745"	915.155571	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-2H+NH4"	16.019271
"46997"	1819.247266	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M-2H+Na"	20.974666
"477965"	2718.383566	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M-2H+Na"	20.974666
"856861"	920.110966	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-2H+Na"	20.974666
"1630771"	920.110966	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Na-2H"	20.974666
"105113"	916.117363	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M-H+Cl"	33.962126
"545766"	1365.685513	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M-H+Cl"	33.962126
"933813"	466.549213	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-H+Cl"	33.962126
"275651"	1833.242002	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+Cl"	34.969402
"668071"	2732.378302	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+Cl"	34.969402
"1281567"	934.105702	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Cl"	34.969402
"24124"	1835.221206	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M-2H+K"	36.948606
"461499"	2734.357506	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M-2H+K"	36.948606
"839299"	936.084906	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-2H+K"	36.948606
"1562789"	936.084906	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+K-2H"	36.948606
"949577"	944.134494	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-H+HCOOH"	44.998194
"368888"	1843.270801	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+HCOOH-H"	44.998201
"360565"	1857.286451	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+Hac-H"	59.013851
"1508262"	958.150151	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Hac-H"	59.013851
"972447"	966.116451	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-H+NaCOOH"	66.980151
"124632"	934.105702	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+2Cl"	69.938804
"564438"	1383.673852	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+2Cl"	69.938804
"1036150"	484.537552	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2Cl"	69.938804
"1256739"	978.055185	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Br"	78.918885
"1319631"	980.111172	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Cl+HCOOH"	80.974872
"1335422"	1002.093129	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Cl+NaCOOH"	102.956829
"924292"	1012.121886	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M-H+CF3COOH"	112.985586
"1303552"	1048.098564	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Cl+CF3COOH"	148.962264
"1377703"	864.123624	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H-2H2O"	-35.012676
"1392648"	882.1336	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H-H2O"	-17.0027
"291242"	1799.279876	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+H"	1.007276
"688035"	2698.416176	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+H"	1.007276
"1364020"	900.143576	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H"	1.007276
"136911"	900.143576	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+2H"	2.014552
"578295"	1349.711726	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+2H"	2.014552
"1047823"	450.575426	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2H"	2.014552
"215727"	600.431476	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+3H"	3.021828
"654195"	900.143576	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+3H"	3.021828
"1174145"	300.719376	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+3H"	3.021828
"433406"	1816.306423	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+NH4"	18.033823
"796955"	2715.442723	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+NH4"	18.033823
"1692559"	917.170123	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+NH4"	18.033823
"341929"	908.6568495	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+H+NH4"	19.041099
"735809"	1358.2249995	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+H+NH4"	19.041099
"1489629"	459.0886995	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H+NH4"	19.041099
"400649"	1821.261818	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+Na"	22.989218
"757639"	2720.398118	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+Na"	22.989218
"1615218"	922.125518	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Na"	22.989218
"320880"	911.134547	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+H+Na"	23.996494
"718770"	1360.702697	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+H+Na"	23.996494
"1473684"	461.566397	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H+Na"	23.996494
"1060368"	308.04669	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2H+Na"	25.00377
"1265327"	932.169786	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+CH3OH+H"	33.033486
"387184"	1837.235758	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+K"	38.963158
"752555"	2736.372058	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+K"	38.963158
"1552421"	938.099458	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+K"	38.963158
"309596"	919.121517	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+H+K"	39.970434
"704206"	1368.689667	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+H+K"	39.970434
"1452555"	469.553367	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H+K"	39.970434
"242253"	1840.306426	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+ACN+H"	42.033826
"1220429"	941.170126	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+ACN+H"	42.033826
"1205406"	471.088701	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+ACN+2H"	43.041102
"198278"	1843.24376	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+2Na-H"	44.97116
"637838"	2742.38006	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+2Na-H"	44.97116
"1134785"	944.10746	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2Na-H"	44.97116
"183541"	922.125518	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+2Na"	45.978436
"617634"	1371.693668	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+2Na"	45.978436
"1121136"	472.557368	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2Na"	45.978436
"1402109"	315.374004	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H+2Na"	46.985712
"1433130"	946.149046	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H+HCOOH"	47.012746
"221731"	927.15854	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+3H2O+2H"	56.04448
"1510159"	960.20109	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+IsoProp+H"	61.06479
"410580"	930.112488	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+Na+K"	61.952376
"772305"	1379.680638	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+Na+K"	61.952376
"1669366"	480.544338	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Na+K"	61.952376
"259167"	1862.288368	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+ACN+Na"	64.015768
"1234064"	963.152068	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+ACN+Na"	64.015768
"1719670"	963.175593	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+NH4+HCOOH"	64.039293
"1185025"	322.701318	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+3Na"	68.967654
"1658202"	968.130988	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Na+HCOOH"	68.994688
"163241"	1875.19164	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+2K-H"	76.91904
"612280"	2774.32794	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+2K-H"	76.91904
"1097887"	976.05534	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2K-H"	76.91904
"155675"	938.099458	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"2M+2K"	77.926316
"594264"	1387.667608	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"3M+2K"	77.926316
"1076589"	488.531308	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2K"	77.926316
"1108706"	978.069892	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2K+H"	78.933592
"1341811"	978.157507	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+DMSO+H"	79.021207
"1011433"	982.196676	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2ACN+H"	83.060376
"1533933"	983.190308	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+IsoProp+Na+H"	84.054008
"994914"	491.601976	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+2ACN+2H"	84.067652
"1595979"	984.104928	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+K+HCOOH"	84.968628
"1421640"	1014.136438	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+H+CF3COOH"	115.000138
"1153021"	512.115251	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+3ACN+2H"	125.094202
"1704763"	1031.162985	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+NH4+CF3COOH"	132.026685
"1638225"	1036.11838	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+Na+CF3COOH"	136.98208
"1585906"	1052.09232	"C15524"	"Phenylglyoxylyl-CoA"	"C29H40N7O18P3S"	"899.1363"	"M+K+CF3COOH"	152.95602
"812990"	288.0634	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M"	0
"982153"	269.04501	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"68208"	191.034990666667	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"511049"	287.056124	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"888853"	95.0138573333333	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"6334"	287.056124	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"444802"	431.087824	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"823699"	143.024424	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"92933"	575.119524	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"529818"	863.182924	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"909323"	287.056124	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"58714"	592.146071	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"500706"	880.209471	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"879482"	304.082671	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"46410"	597.101466	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"476982"	885.164866	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"856971"	309.038066	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1630881"	309.038066	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"105223"	305.044463	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"542596"	449.076163	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"933923"	161.012763	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"275760"	611.096202	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"667087"	899.159602	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1278396"	323.032802	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"20952"	613.075406	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"460516"	901.138806	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"838315"	325.012006	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1561806"	325.012006	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"946408"	333.061594	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"368998"	621.125001	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"360788"	635.140651	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1508335"	347.077251	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"973283"	355.043551	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"125103"	323.032802	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"564909"	467.064502	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1036830"	179.001102	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1256851"	366.982285	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1319501"	369.038272	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1333344"	391.020229	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"922580"	401.048986	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1301839"	437.025664	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1378906"	253.050724	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1394946"	271.0607	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"294268"	577.134076	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"689242"	865.197476	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1361214"	289.070676	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"137752"	289.070676	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"578405"	433.102376	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1047569"	145.038976	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"215839"	193.049542666667	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"655036"	289.070676	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1174255"	97.0284093333333	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"434246"	594.160623	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"796700"	882.224023	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1694126"	306.097223	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"343862"	297.5839495	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"737012"	441.6156495	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1487552"	153.5522495	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"400760"	599.116018	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"757749"	887.179418	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1613142"	311.052618	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"319897"	300.061647	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"719973"	444.093347	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1472701"	156.029947	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1060478"	104.355723333333	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1266530"	321.096886	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"388387"	615.089958	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"752666"	903.153358	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1551438"	327.026558	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"309706"	308.048617	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"704316"	452.080317	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1452665"	164.016917	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"243457"	618.160626	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1216164"	330.097226	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1201143"	165.552251	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"196203"	621.09796	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"637949"	909.16136	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1132341"	333.03456	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"176724"	311.052618	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"615552"	455.084318	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1117235"	167.020918	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1399663"	111.683037333333	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1431050"	335.076146	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"222575"	316.08564	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1509048"	349.12819	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"408896"	319.039588	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"772412"	463.071288	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1670570"	175.007888	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"259278"	640.142568	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1231987"	352.079168	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1720874"	352.102693	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1184042"	119.010351333333	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1659406"	357.058088	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"168454"	653.04584	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"612269"	941.10924	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1097997"	364.98244	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"154813"	327.026558	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"594253"	471.058258	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1076699"	182.994858	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1108817"	366.996992	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1343014"	367.084607	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1009356"	371.123776	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1534043"	372.117408	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"996118"	186.065526	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1592808"	373.032028	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1419563"	403.063538	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1150944"	206.578801	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1707060"	420.090085	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1639429"	425.04548	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1586016"	441.01942	"C15525"	"Eriodictyol chalcone;23446-Pentahydroxychalcone"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"812007"	850.2909	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M"	0
"982263"	831.27251	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-H2O-H"	-19.01839
"68318"	565.853324	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M-3H"	-3.021828
"506786"	849.283624	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M-3H"	-3.021828
"887870"	282.423024	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-3H"	-3.021828
"6445"	849.283624	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M-2H"	-2.014552
"442725"	1274.429074	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M-2H"	-2.014552
"821622"	424.138174	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-2H"	-2.014552
"92436"	1699.574524	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M-H"	-1.007276
"528835"	2549.865424	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M-H"	-1.007276
"906638"	849.283624	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-H"	-1.007276
"60284"	1716.601071	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M-2H+NH4"	16.019271
"501061"	2566.891971	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M-2H+NH4"	16.019271
"879470"	866.310171	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-2H+NH4"	16.019271
"46155"	1721.556466	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M-2H+Na"	20.974666
"481466"	2571.847366	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M-2H+Na"	20.974666
"855988"	871.265566	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-2H+Na"	20.974666
"1628804"	871.265566	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Na-2H"	20.974666
"102052"	867.271963	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M-H+Cl"	33.962126
"539425"	1292.417413	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M-H+Cl"	33.962126
"935126"	442.126513	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-H+Cl"	33.962126
"276964"	1735.551202	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+Cl"	34.969402
"662823"	2585.842102	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+Cl"	34.969402
"1279599"	885.260302	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Cl"	34.969402
"21062"	1737.530406	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M-2H+K"	36.948606
"460623"	2587.821306	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M-2H+K"	36.948606
"837696"	887.239506	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-2H+K"	36.948606
"1561916"	887.239506	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+K-2H"	36.948606
"946517"	895.289094	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-H+HCOOH"	44.998194
"369108"	1745.580001	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+HCOOH-H"	44.998201
"360534"	1759.595651	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+Hac-H"	59.013851
"1508407"	909.304751	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Hac-H"	59.013851
"973633"	917.271051	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-H+NaCOOH"	66.980151
"125092"	885.260302	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+2Cl"	69.938804
"565265"	1310.405752	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+2Cl"	69.938804
"1036490"	460.114852	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2Cl"	69.938804
"1256677"	929.209785	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Br"	78.918885
"1318874"	931.265772	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Cl+HCOOH"	80.974872
"1334913"	953.247729	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Cl+NaCOOH"	102.956829
"925608"	963.276486	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M-H+CF3COOH"	112.985586
"1303042"	999.253164	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Cl+CF3COOH"	148.962264
"1379380"	815.278224	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H-2H2O"	-35.012676
"1393961"	833.2882	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H-H2O"	-17.0027
"295473"	1701.589076	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+H"	1.007276
"690079"	2551.879976	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+H"	1.007276
"1364240"	851.298176	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H"	1.007276
"138590"	851.298176	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+2H"	2.014552
"579971"	1276.443626	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+2H"	2.014552
"1048770"	426.152726	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2H"	2.014552
"211573"	567.867876	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+3H"	3.021828
"654415"	851.298176	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+3H"	3.021828
"1168166"	284.437576	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+3H"	3.021828
"431439"	1718.615623	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+NH4"	18.033823
"797904"	2568.906523	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+NH4"	18.033823
"1692047"	868.324723	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+NH4"	18.033823
"337044"	859.8114495	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+H+NH4"	19.041099
"733839"	1284.9568995	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+H+NH4"	19.041099
"1488754"	434.6659995	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H+NH4"	19.041099
"398683"	1723.571018	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+Na"	22.989218
"754355"	2573.861918	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+Na"	22.989218
"1613252"	873.280118	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Na"	22.989218
"320007"	862.289147	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+H+Na"	23.996494
"720083"	1287.434597	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+H+Na"	23.996494
"1471717"	437.143697	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H+Na"	23.996494
"1059495"	291.76489	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2H+Na"	25.00377
"1265547"	883.324386	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+CH3OH+H"	33.033486
"387404"	1739.544958	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+K"	38.963158
"750589"	2589.835858	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+K"	38.963158
"1547172"	889.254058	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+K"	38.963158
"305442"	870.276117	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+H+K"	39.970434
"703333"	1295.421567	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+H+K"	39.970434
"1451682"	445.130667	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H+K"	39.970434
"241742"	1742.615626	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+ACN+H"	42.033826
"1215181"	892.324726	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+ACN+H"	42.033826
"1202346"	446.666001	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+ACN+2H"	43.041102
"194125"	1745.55296	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+2Na-H"	44.97116
"636966"	2595.84386	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+2Na-H"	44.97116
"1132451"	895.26206	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2Na-H"	44.97116
"175010"	873.280118	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+2Na"	45.978436
"614203"	1298.425568	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+2Na"	45.978436
"1117345"	448.134668	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2Na"	45.978436
"1399286"	299.092204	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H+2Na"	46.985712
"1431889"	897.303646	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H+HCOOH"	47.012746
"223414"	878.31314	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+3H2O+2H"	56.04448
"1509282"	911.35569	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+IsoProp+H"	61.06479
"408842"	881.267088	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+Na+K"	61.952376
"770250"	1306.412538	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+Na+K"	61.952376
"1670680"	456.121638	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Na+K"	61.952376
"255373"	1764.597568	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+ACN+Na"	64.015768
"1228082"	914.306668	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+ACN+Na"	64.015768
"1722079"	914.330193	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+NH4+HCOOH"	64.039293
"1181965"	306.419518	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+3Na"	68.967654
"1659516"	919.285588	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Na+HCOOH"	68.994688
"168564"	1777.50084	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+2K-H"	76.91904
"609219"	2627.79174	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+2K-H"	76.91904
"1097013"	927.20994	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2K-H"	76.91904
"151642"	889.254058	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"2M+2K"	77.926316
"587922"	1314.399508	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"3M+2K"	77.926316
"1073528"	464.108608	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2K"	77.926316
"1108926"	929.224492	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2K+H"	78.933592
"1340937"	929.312107	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+DMSO+H"	79.021207
"1006550"	933.351276	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2ACN+H"	83.060376
"1534153"	934.344908	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+IsoProp+Na+H"	84.054008
"996228"	467.179276	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+2ACN+2H"	84.067652
"1591825"	935.259528	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+K+HCOOH"	84.968628
"1419673"	965.291038	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+H+CF3COOH"	115.000138
"1151054"	487.692551	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+3ACN+2H"	125.094202
"1707170"	982.317585	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+NH4+CF3COOH"	132.026685
"1640632"	987.27298	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+Na+CF3COOH"	136.98208
"1586126"	1003.24692	"C15527"	"Precorrin 1"	"C41H46N4O16"	"850.2909"	"M+K+CF3COOH"	152.95602
"809931"	369.194	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M"	0
"983465"	350.17561	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-H2O-H"	-19.01839
"70618"	245.122057333333	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M-3H"	-3.021828
"511272"	368.186724	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M-3H"	-3.021828
"885793"	122.057390666667	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-3H"	-3.021828
"7650"	368.186724	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M-2H"	-2.014552
"446117"	552.783724	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M-2H"	-2.014552
"830485"	183.589724	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-2H"	-2.014552
"90481"	737.380724	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M-H"	-1.007276
"530039"	1106.574724	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M-H"	-1.007276
"908572"	368.186724	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-H"	-1.007276
"60515"	754.407271	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M-2H+NH4"	16.019271
"500928"	1123.601271	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M-2H+NH4"	16.019271
"878120"	385.213271	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-2H+NH4"	16.019271
"45778"	759.362666	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M-2H+Na"	20.974666
"479390"	1128.556666	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M-2H+Na"	20.974666
"861205"	390.168666	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-2H+Na"	20.974666
"1630740"	390.168666	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Na-2H"	20.974666
"103257"	386.175063	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M-H+Cl"	33.962126
"543911"	570.772063	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M-H+Cl"	33.962126
"935238"	201.578063	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-H+Cl"	33.962126
"277074"	773.357402	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+Cl"	34.969402
"667308"	1142.551402	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+Cl"	34.969402
"1278617"	404.163402	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Cl"	34.969402
"22268"	775.336606	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M-2H+K"	36.948606
"460736"	1144.530606	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M-2H+K"	36.948606
"845830"	406.142606	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-2H+K"	36.948606
"1568954"	406.142606	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+K-2H"	36.948606
"955991"	414.192194	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-H+HCOOH"	44.998194
"372137"	783.386201	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+HCOOH-H"	44.998201
"360651"	797.401851	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+Hac-H"	59.013851
"1507057"	428.207851	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Hac-H"	59.013851
"973380"	436.174151	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-H+NaCOOH"	66.980151
"124964"	404.163402	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+2Cl"	69.938804
"564885"	588.760402	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+2Cl"	69.938804
"1034774"	219.566402	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2Cl"	69.938804
"1254352"	448.112885	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Br"	78.918885
"1317163"	450.168872	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Cl+HCOOH"	80.974872
"1328827"	472.150829	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Cl+NaCOOH"	102.956829
"922437"	482.179586	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M-H+CF3COOH"	112.985586
"1295134"	518.156264	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Cl+CF3COOH"	148.962264
"1378759"	334.181324	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H-2H2O"	-35.012676
"1389699"	352.1913	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H-H2O"	-17.0027
"292665"	739.395276	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+H"	1.007276
"685086"	1108.589276	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+H"	1.007276
"1365570"	370.201276	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H"	1.007276
"137245"	370.201276	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+2H"	2.014552
"579356"	554.798276	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+2H"	2.014552
"1044875"	185.604276	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2H"	2.014552
"208402"	247.136609333333	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+3H"	3.021828
"648327"	370.201276	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+3H"	3.021828
"1173744"	124.071942666667	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+3H"	3.021828
"427173"	756.421823	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+NH4"	18.033823
"791451"	1125.615823	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+NH4"	18.033823
"1687781"	387.227823	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+NH4"	18.033823
"338247"	378.7145495	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+H+NH4"	19.041099
"732856"	563.3115495	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+H+NH4"	19.041099
"1485581"	194.1175495	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H+NH4"	19.041099
"395516"	761.377218	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+Na"	22.989218
"763075"	1130.571218	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+Na"	22.989218
"1613361"	392.183218	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Na"	22.989218
"326680"	381.192247	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+H+Na"	23.996494
"720198"	565.789247	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+H+Na"	23.996494
"1475110"	196.595247	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H+Na"	23.996494
"1059604"	131.399256666667	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2H+Na"	25.00377
"1267843"	402.227486	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+CH3OH+H"	33.033486
"389702"	777.351158	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+K"	38.963158
"749606"	1146.545158	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+K"	38.963158
"1552753"	408.157158	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+K"	38.963158
"311022"	389.179217	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+H+K"	39.970434
"700161"	573.776217	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+H+K"	39.970434
"1449969"	204.582217	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H+K"	39.970434
"246957"	780.421826	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+ACN+H"	42.033826
"1219666"	411.227826	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+ACN+H"	42.033826
"1205738"	206.117551	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+ACN+2H"	43.041102
"198609"	783.35916	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+2Na-H"	44.97116
"630879"	1152.55316	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+2Na-H"	44.97116
"1137304"	414.16516	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2Na-H"	44.97116
"177310"	392.183218	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+2Na"	45.978436
"617961"	576.780218	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+2Na"	45.978436
"1118552"	207.586218	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2Na"	45.978436
"1399883"	138.726570666667	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H+2Na"	46.985712
"1433827"	416.206746	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H+HCOOH"	47.012746
"221694"	397.21624	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+3H2O+2H"	56.04448
"1509391"	430.25879	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+IsoProp+H"	61.06479
"410174"	400.170188	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+Na+K"	61.952376
"773729"	584.767188	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+Na+K"	61.952376
"1672611"	215.573188	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Na+K"	61.952376
"259499"	802.403768	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+ACN+Na"	64.015768
"1235490"	433.209768	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+ACN+Na"	64.015768
"1721095"	433.233293	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+NH4+HCOOH"	64.039293
"1186451"	146.053884666667	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+3Na"	68.967654
"1657438"	438.188688	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Na+HCOOH"	68.994688
"170861"	815.30704	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+2K-H"	76.91904
"612251"	1184.50104	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+2K-H"	76.91904
"1098098"	446.11304	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2K-H"	76.91904
"153939"	408.157158	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"2M+2K"	77.926316
"594350"	592.754158	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"3M+2K"	77.926316
"1078014"	223.560158	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2K"	77.926316
"1106851"	448.127592	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2K+H"	78.933592
"1341048"	448.215207	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+DMSO+H"	79.021207
"1015044"	452.254376	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2ACN+H"	83.060376
"1528798"	453.248008	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+IsoProp+Na+H"	84.054008
"995246"	226.630826	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+2ACN+2H"	84.067652
"1594124"	454.162628	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+K+HCOOH"	84.968628
"1418690"	484.194138	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+H+CF3COOH"	115.000138
"1152259"	247.144101	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+3ACN+2H"	125.094202
"1704000"	501.220685	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+NH4+CF3COOH"	132.026685
"1642930"	506.17608	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+Na+CF3COOH"	136.98208
"1586238"	522.15002	"C15530"	"Corydaline;()-Corydaline"	"C22H27NO4"	"369.194"	"M+K+CF3COOH"	152.95602
"806761"	270.0892	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M"	0
"983575"	251.07081	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"75099"	179.052190666667	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"512476"	269.081924	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"891369"	89.0224573333333	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"6665"	269.081924	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"451693"	404.126524	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"830595"	134.037324	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"90589"	539.171124	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"530149"	809.260324	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"907952"	269.081924	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"62082"	556.197671	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"500673"	826.286871	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"879572"	286.108471	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"46373"	561.153066	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"481686"	831.242266	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"850742"	291.063866	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1620271"	291.063866	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"96802"	287.070263	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"535392"	422.114863	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"933159"	152.025663	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"273903"	575.147802	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"666324"	845.237002	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1277634"	305.058602	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"23471"	577.127006	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"460846"	847.216206	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"835365"	307.037806	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1570400"	307.037806	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"957314"	315.087394	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"372611"	585.176601	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"360885"	599.192251	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1508329"	329.103051	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"973126"	337.069351	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"125663"	305.058602	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"565613"	440.103202	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1033060"	170.014002	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1254461"	349.008085	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1316178"	351.064072	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1330759"	373.046029	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"921453"	383.074786	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1296338"	419.051464	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1375591"	235.076524	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1390902"	253.0865	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"292411"	541.185676	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"686656"	811.274876	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1366652"	271.096476	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"137355"	271.096476	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"577642"	406.141076	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1044621"	136.051876	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"208512"	181.066742666667	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"648073"	271.096476	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1173490"	91.0370093333333	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"426190"	558.212223	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"792656"	828.301423	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1685705"	288.123023	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"335077"	279.6097495	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"730779"	414.6543495	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1482411"	144.5651495	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"395626"	563.167618	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"765371"	833.256818	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1613471"	293.078418	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"325696"	282.087447	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"717024"	417.132047	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1473031"	147.042847	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1065183"	98.3643233333333	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1262486"	303.122686	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"387624"	579.141558	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"745341"	849.230758	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1549582"	309.052358	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"308945"	290.074417	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"703553"	425.119017	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1456280"	155.029817	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"248163"	582.212226	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1223058"	312.123026	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1204755"	156.565151	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"200906"	585.14956	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"629895"	855.23876	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1137414"	315.06036	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"177420"	293.078418	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"614059"	428.123018	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1117565"	158.033818	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1399993"	105.691637333333	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1433204"	317.101946	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"221441"	298.11144	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1509867"	331.15399	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"410288"	301.065388	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"771652"	436.109988	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1669805"	166.020788	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"261434"	604.194168	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1236691"	334.104968	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1724484"	334.128493	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1187655"	113.018951333333	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1658641"	339.083888	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"166596"	617.09744	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"611750"	887.18664	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1097235"	347.00824	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"155142"	309.052358	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"596973"	444.096958	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1079217"	174.007758	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1108053"	349.022792	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1343344"	349.110407	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1017341"	353.149576	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1527814"	354.143208	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"994261"	177.078426	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1594234"	355.057828	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1418800"	385.089338	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1152369"	197.591701	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1704110"	402.115885	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1641947"	407.07128	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1586348"	423.04522	"C15531"	"2-O-Methylisoliquiritigenin"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"806871"	217.1063	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M"	0
"989440"	198.08791	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-H2O-H"	-19.01839
"74116"	143.730257333333	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M-3H"	-3.021828
"511493"	216.099024	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M-3H"	-3.021828
"884920"	71.3614906666667	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-3H"	-3.021828
"2402"	216.099024	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M-2H"	-2.014552
"447431"	324.652174	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M-2H"	-2.014552
"829248"	107.545874	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-2H"	-2.014552
"89606"	433.205324	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M-H"	-1.007276
"528073"	650.311624	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M-H"	-1.007276
"906969"	216.099024	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-H"	-1.007276
"60249"	450.231871	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M-2H+NH4"	16.019271
"500903"	667.338171	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M-2H+NH4"	16.019271
"877609"	233.125571	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-2H+NH4"	16.019271
"45147"	455.187266	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M-2H+Na"	20.974666
"478516"	672.293566	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M-2H+Na"	20.974666
"850973"	238.080966	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-2H+Na"	20.974666
"1630225"	238.080966	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Na-2H"	20.974666
"99099"	234.087363	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M-H+Cl"	33.962126
"537567"	342.640513	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M-H+Cl"	33.962126
"931083"	125.534213	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-H+Cl"	33.962126
"270732"	469.182002	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+Cl"	34.969402
"660267"	686.288302	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+Cl"	34.969402
"1273365"	252.075702	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Cl"	34.969402
"16653"	471.161206	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M-2H+K"	36.948606
"460956"	688.267506	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M-2H+K"	36.948606
"834381"	254.054906	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-2H+K"	36.948606
"1570267"	254.054906	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+K-2H"	36.948606
"957991"	262.104494	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-H+HCOOH"	44.998194
"372721"	479.210801	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+HCOOH-H"	44.998201
"360510"	493.226451	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+Hac-H"	59.013851
"1507525"	276.120151	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Hac-H"	59.013851
"973722"	284.086451	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-H+NaCOOH"	66.980151
"125427"	252.075702	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+2Cl"	69.938804
"565227"	360.628852	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+2Cl"	69.938804
"1033169"	143.522552	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2Cl"	69.938804
"1254570"	296.025185	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Br"	78.918885
"1315194"	298.081172	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Cl+HCOOH"	80.974872
"1329775"	320.063129	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Cl+NaCOOH"	102.956829
"923750"	330.091886	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M-H+CF3COOH"	112.985586
"1299728"	366.068564	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Cl+CF3COOH"	148.962264
"1377522"	182.093624	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H-2H2O"	-35.012676
"1391012"	200.1036	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H-H2O"	-17.0027
"291792"	435.219876	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+H"	1.007276
"684942"	652.326176	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+H"	1.007276
"1364573"	218.113576	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H"	1.007276
"140259"	218.113576	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+2H"	2.014552
"578115"	326.666726	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+2H"	2.014552
"1045095"	109.560426	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2H"	2.014552
"208622"	145.744809333333	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+3H"	3.021828
"648183"	218.113576	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+3H"	3.021828
"1173964"	73.3760426666667	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+3H"	3.021828
"426300"	452.246423	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+NH4"	18.033823
"793859"	669.352723	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+NH4"	18.033823
"1685815"	235.140123	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+NH4"	18.033823
"334094"	226.6268495	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+H+NH4"	19.041099
"727609"	335.1799995	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+H+NH4"	19.041099
"1482521"	118.0736995	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H+NH4"	19.041099
"395736"	457.201818	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+Na"	22.989218
"765481"	674.308118	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+Na"	22.989218
"1612487"	240.095518	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Na"	22.989218
"325806"	229.104547	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+H+Na"	23.996494
"713854"	337.657697	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+H+Na"	23.996494
"1468767"	120.551397	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H+Na"	23.996494
"1057638"	80.7033566666667	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2H+Na"	25.00377
"1266970"	250.139786	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+CH3OH+H"	33.033486
"384453"	473.175758	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+K"	38.963158
"745451"	690.282058	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+K"	38.963158
"1547506"	256.069458	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+K"	38.963158
"304682"	237.091517	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+H+K"	39.970434
"701476"	345.644667	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+H+K"	39.970434
"1456390"	128.538367	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H+K"	39.970434
"247180"	476.246426	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+ACN+H"	42.033826
"1219888"	259.140126	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+ACN+H"	42.033826
"1204866"	130.073701	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+ACN+2H"	43.041102
"197735"	479.18376	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+2Na-H"	44.97116
"629638"	696.29006	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+2Na-H"	44.97116
"1134244"	262.07746	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2Na-H"	44.97116
"175346"	240.095518	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+2Na"	45.978436
"615750"	348.648668	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+2Na"	45.978436
"1118038"	131.542368	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2Na"	45.978436
"1400592"	88.0306706666667	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H+2Na"	46.985712
"1430762"	264.119046	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H+HCOOH"	47.012746
"221190"	245.12854	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+3H2O+2H"	56.04448
"1509007"	278.17109	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+IsoProp+H"	61.06479
"409307"	248.082488	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+Na+K"	61.952376
"772857"	356.635638	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+Na+K"	61.952376
"1673198"	139.529338	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Na+K"	61.952376
"263732"	498.228368	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+ACN+Na"	64.015768
"1237895"	281.122068	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+ACN+Na"	64.015768
"1726417"	281.145593	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+NH4+HCOOH"	64.039293
"1188858"	95.3579846666667	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+3Na"	68.967654
"1660938"	286.100988	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Na+HCOOH"	68.994688
"168893"	511.13164	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+2K-H"	76.91904
"611981"	728.23794	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+2K-H"	76.91904
"1097224"	294.02534	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2K-H"	76.91904
"155740"	256.069458	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"2M+2K"	77.926316
"596881"	364.622608	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"3M+2K"	77.926316
"1077140"	147.516308	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2K"	77.926316
"1108163"	296.039892	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2K+H"	78.933592
"1340174"	296.127507	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+DMSO+H"	79.021207
"1011983"	300.166676	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2ACN+H"	83.060376
"1529017"	301.160308	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+IsoProp+Na+H"	84.054008
"994371"	150.586976	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+2ACN+2H"	84.067652
"1595437"	302.074928	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+K+HCOOH"	84.968628
"1418910"	332.106438	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+H+CF3COOH"	115.000138
"1151750"	171.100251	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+3ACN+2H"	125.094202
"1704220"	349.132985	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+NH4+CF3COOH"	132.026685
"1642057"	354.08838	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+Na+CF3COOH"	136.98208
"1586458"	370.06232	"C15532"	"N-Acetyl-L-citrulline"	"C8H15N3O4"	"217.1063"	"M+K+CF3COOH"	152.95602
"806981"	137.0488	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M"	0
"988778"	118.03041	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-H2O-H"	-19.01839
"72040"	90.3585906666667	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M-3H"	-3.021828
"511603"	136.041524	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M-3H"	-3.021828
"888312"	44.6756573333333	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-3H"	-3.021828
"6887"	136.041524	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M-2H"	-2.014552
"447541"	204.565924	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M-2H"	-2.014552
"828629"	67.517124	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-2H"	-2.014552
"89714"	273.090324	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M-H"	-1.007276
"528183"	410.139124	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M-H"	-1.007276
"906715"	136.041524	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-H"	-1.007276
"57081"	290.116871	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M-2H+NH4"	16.019271
"499559"	427.165671	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M-2H+NH4"	16.019271
"878935"	153.068071	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-2H+NH4"	16.019271
"44166"	295.072266	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M-2H+Na"	20.974666
"476439"	432.121066	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M-2H+Na"	20.974666
"853149"	158.023466	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-2H+Na"	20.974666
"1629242"	158.023466	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Na-2H"	20.974666
"102489"	154.029863	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M-H+Cl"	33.962126
"538771"	222.554263	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M-H+Cl"	33.962126
"927221"	85.505463	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-H+Cl"	33.962126
"270842"	309.067002	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+Cl"	34.969402
"660707"	446.115802	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+Cl"	34.969402
"1273353"	172.018202	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Cl"	34.969402
"16763"	311.046206	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M-2H+K"	36.948606
"457786"	448.095006	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M-2H+K"	36.948606
"834490"	173.997406	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-2H+K"	36.948606
"1570984"	173.997406	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+K-2H"	36.948606
"958357"	182.046994	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-H+HCOOH"	44.998194
"370642"	319.095801	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+HCOOH-H"	44.998201
"360001"	333.111451	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+Hac-H"	59.013851
"1506650"	196.062651	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Hac-H"	59.013851
"972370"	204.028951	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-H+NaCOOH"	66.980151
"125290"	172.018202	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+2Cl"	69.938804
"565416"	240.542602	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+2Cl"	69.938804
"1031822"	103.493802	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2Cl"	69.938804
"1253951"	215.967685	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Br"	78.918885
"1316397"	218.023672	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Cl+HCOOH"	80.974872
"1328792"	240.005629	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Cl+NaCOOH"	102.956829
"925319"	250.034386	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M-H+CF3COOH"	112.985586
"1299838"	286.011064	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Cl+CF3COOH"	148.962264
"1379820"	102.036124	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H-2H2O"	-35.012676
"1392215"	120.0461	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H-H2O"	-17.0027
"289713"	275.104876	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+H"	1.007276
"685415"	412.153676	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+H"	1.007276
"1361038"	138.056076	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H"	1.007276
"138304"	138.056076	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+2H"	2.014552
"574942"	206.580476	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+2H"	2.014552
"1046664"	69.531676	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2H"	2.014552
"212012"	92.3731426666667	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+3H"	3.021828
"646107"	138.056076	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+3H"	3.021828
"1172981"	46.6902093333333	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+3H"	3.021828
"429690"	292.131423	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+NH4"	18.033823
"790688"	429.180223	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+NH4"	18.033823
"1685925"	155.082623	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+NH4"	18.033823
"334204"	146.5693495	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+H+NH4"	19.041099
"727718"	215.0937495	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+H+NH4"	19.041099
"1482631"	78.0449495	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H+NH4"	19.041099
"399126"	297.086818	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+Na"	22.989218
"765591"	434.135618	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+Na"	22.989218
"1613689"	160.038018	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Na"	22.989218
"324819"	149.047047	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+H+Na"	23.996494
"711775"	217.571447	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+H+Na"	23.996494
"1463771"	80.522647	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H+Na"	23.996494
"1055558"	54.0175233333333	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2H+Na"	25.00377
"1258333"	170.082286	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+CH3OH+H"	33.033486
"381279"	313.060758	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+K"	38.963158
"746655"	450.109558	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+K"	38.963158
"1549802"	176.011958	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+K"	38.963158
"310988"	157.034017	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+H+K"	39.970434
"702682"	225.558417	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+H+K"	39.970434
"1458689"	88.509617	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H+K"	39.970434
"247291"	316.131426	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+ACN+H"	42.033826
"1222186"	179.082626	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+ACN+H"	42.033826
"1202793"	90.044951	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+ACN+2H"	43.041102
"197845"	319.06876	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+2Na-H"	44.97116
"631577"	456.11756	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+2Na-H"	44.97116
"1134719"	182.01996	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2Na-H"	44.97116
"178737"	160.038018	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+2Na"	45.978436
"620479"	228.562418	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+2Na"	45.978436
"1117420"	91.513618	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2Na"	45.978436
"1400702"	61.3448373333333	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H+2Na"	46.985712
"1433064"	184.061546	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H+HCOOH"	47.012746
"220689"	165.07104	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+3H2O+2H"	56.04448
"1511189"	198.11359	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+IsoProp+H"	61.06479
"410505"	168.024988	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+Na+K"	61.952376
"774790"	236.549388	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+Na+K"	61.952376
"1675495"	99.500588	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Na+K"	61.952376
"264570"	338.113368	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+ACN+Na"	64.015768
"1238370"	201.064568	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+ACN+Na"	64.015768
"1726528"	201.088093	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+NH4+HCOOH"	64.039293
"1188966"	68.6721513333333	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+3Na"	68.967654
"1657768"	206.043488	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Na+HCOOH"	68.994688
"169003"	351.01664	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+2K-H"	76.91904
"611728"	488.06544	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+2K-H"	76.91904
"1094175"	213.96784	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2K-H"	76.91904
"155121"	176.011958	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"2M+2K"	77.926316
"592737"	244.536358	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"3M+2K"	77.926316
"1077249"	107.487558	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2K"	77.926316
"1100032"	215.982392	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2K+H"	78.933592
"1338461"	216.070007	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+DMSO+H"	79.021207
"1007717"	220.109176	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2ACN+H"	83.060376
"1525116"	221.102808	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+IsoProp+Na+H"	84.054008
"990833"	110.558226	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+2ACN+2H"	84.067652
"1590078"	222.017428	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+K+HCOOH"	84.968628
"1416831"	252.048938	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+H+CF3COOH"	115.000138
"1149308"	131.071501	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+3ACN+2H"	125.094202
"1702143"	269.075485	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+NH4+CF3COOH"	132.026685
"1638887"	274.03088	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+Na+CF3COOH"	136.98208
"1586568"	290.00482	"C15533"	"4-Fluoro-L-threonine"	"C4H8FNO3"	"137.0488"	"M+K+CF3COOH"	152.95602
"807094"	306.2195	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M"	0
"980627"	287.20111	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-H2O-H"	-19.01839
"72153"	203.139057333333	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M-3H"	-3.021828
"511715"	305.212224	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M-3H"	-3.021828
"886235"	101.065890666667	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-3H"	-3.021828
"194"	305.212224	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M-2H"	-2.014552
"446564"	458.321974	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M-2H"	-2.014552
"826553"	152.102474	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-2H"	-2.014552
"84358"	611.431724	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M-H"	-1.007276
"527199"	917.651224	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M-H"	-1.007276
"898440"	305.212224	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-H"	-1.007276
"53907"	628.458271	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M-2H+NH4"	16.019271
"487266"	934.677771	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M-2H+NH4"	16.019271
"872365"	322.238771	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-2H+NH4"	16.019271
"31715"	633.413666	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M-2H+Na"	20.974666
"474362"	939.633166	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M-2H+Na"	20.974666
"849123"	327.194166	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-2H+Na"	20.974666
"1622793"	327.194166	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Na-2H"	20.974666
"98228"	323.200563	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M-H+Cl"	33.962126
"535032"	476.310313	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M-H+Cl"	33.962126
"927613"	170.090813	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-H+Cl"	33.962126
"270952"	647.408402	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+Cl"	34.969402
"660085"	953.627902	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+Cl"	34.969402
"1276872"	341.188902	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Cl"	34.969402
"20524"	649.387606	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M-2H+K"	36.948606
"469929"	955.607106	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M-2H+K"	36.948606
"848375"	343.168106	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-2H+K"	36.948606
"1569397"	343.168106	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+K-2H"	36.948606
"957974"	351.217694	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-H+HCOOH"	44.998194
"375988"	657.437201	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+HCOOH-H"	44.998201
"360237"	671.452851	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+Hac-H"	59.013851
"1507370"	365.233351	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Hac-H"	59.013851
"973574"	373.199651	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-H+NaCOOH"	66.980151
"123939"	341.188902	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+2Cl"	69.938804
"562405"	494.298652	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+2Cl"	69.938804
"1034118"	188.079152	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2Cl"	69.938804
"1254060"	385.138385	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Br"	78.918885
"1311406"	387.194372	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Cl+HCOOH"	80.974872
"1331451"	409.176329	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Cl+NaCOOH"	102.956829
"923967"	419.205086	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M-H+CF3COOH"	112.985586
"1302499"	455.181764	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Cl+CF3COOH"	148.962264
"1381390"	271.206824	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H-2H2O"	-35.012676
"1396334"	289.2168	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H-H2O"	-17.0027
"293834"	613.446276	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+H"	1.007276
"685526"	919.665776	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+H"	1.007276
"1362606"	307.226776	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H"	1.007276
"133312"	307.226776	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+2H"	2.014552
"573236"	460.336526	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+2H"	2.014552
"1039848"	154.117026	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2H"	2.014552
"209936"	205.153609333333	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+3H"	3.021828
"647310"	307.226776	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+3H"	3.021828
"1165436"	103.080442666667	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+3H"	3.021828
"429800"	630.472823	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+NH4"	18.033823
"788611"	936.692323	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+NH4"	18.033823
"1682755"	324.253323	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+NH4"	18.033823
"331034"	315.7400495	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+H+NH4"	19.041099
"727830"	468.8497995	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+H+NH4"	19.041099
"1479465"	162.6302995	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H+NH4"	19.041099
"399238"	635.428218	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+Na"	22.989218
"763514"	941.647718	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+Na"	22.989218
"1612706"	329.208718	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Na"	22.989218
"322742"	318.217747	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+H+Na"	23.996494
"715164"	471.327497	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+H+Na"	23.996494
"1467890"	165.107997	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H+Na"	23.996494
"1061135"	110.407756666667	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2H+Na"	25.00377
"1260631"	339.252986	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+CH3OH+H"	33.033486
"382484"	651.402158	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+K"	38.963158
"742386"	957.621658	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+K"	38.963158
"1545534"	345.182658	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+K"	38.963158
"308181"	326.204717	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+H+K"	39.970434
"704612"	479.314467	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+H+K"	39.970434
"1452234"	173.094967	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H+K"	39.970434
"243023"	654.472826	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+ACN+H"	42.033826
"1222295"	348.253326	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+ACN+H"	42.033826
"1199616"	174.630301	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+ACN+2H"	43.041102
"196862"	657.41016	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+2Na-H"	44.97116
"634235"	963.62966	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+2Na-H"	44.97116
"1141020"	351.19066	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2Na-H"	44.97116
"178842"	329.208718	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+2Na"	45.978436
"614512"	482.318468	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+2Na"	45.978436
"1120815"	176.098968	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2Na"	45.978436
"1399599"	117.735070666667	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H+2Na"	46.985712
"1436455"	353.232246	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H+HCOOH"	47.012746
"223965"	334.24174	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+3H2O+2H"	56.04448
"1509840"	367.28429	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+IsoProp+H"	61.06479
"410622"	337.195688	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+Na+K"	61.952376
"772710"	490.305438	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+Na+K"	61.952376
"1675605"	184.085938	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Na+K"	61.952376
"262858"	676.454768	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+ACN+Na"	64.015768
"1238480"	370.235268	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+ACN+Na"	64.015768
"1720441"	370.258793	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+NH4+HCOOH"	64.039293
"1190171"	125.062384666667	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+3Na"	68.967654
"1661162"	375.214188	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Na+HCOOH"	68.994688
"169848"	689.35804	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+2K-H"	76.91904
"604305"	995.57754	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+2K-H"	76.91904
"1098294"	383.13854	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2K-H"	76.91904
"147818"	345.182658	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"2M+2K"	77.926316
"583731"	498.292408	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"3M+2K"	77.926316
"1070068"	192.072908	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2K"	77.926316
"1102911"	385.153092	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2K+H"	78.933592
"1338202"	385.240707	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+DMSO+H"	79.021207
"1006735"	389.279876	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2ACN+H"	83.060376
"1527046"	390.273508	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+IsoProp+Na+H"	84.054008
"991672"	195.143576	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+2ACN+2H"	84.067652
"1589095"	391.188128	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+K+HCOOH"	84.968628
"1415850"	421.219638	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+H+CF3COOH"	115.000138
"1148325"	215.656851	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+3ACN+2H"	125.094202
"1708819"	438.246185	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+NH4+CF3COOH"	132.026685
"1644469"	443.20158	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+Na+CF3COOH"	136.98208
"1586680"	459.17552	"C15536"	"Dihydromonacolin L"	"C19H30O3"	"306.2195"	"M+K+CF3COOH"	152.95602
"813765"	504.2723	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M"	0
"980737"	485.25391	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-H2O-H"	-19.01839
"73356"	335.174257333333	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M-3H"	-3.021828
"509638"	503.265024	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M-3H"	-3.021828
"886344"	167.083490666667	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-3H"	-3.021828
"1647"	503.265024	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M-2H"	-2.014552
"448861"	755.401174	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M-2H"	-2.014552
"829578"	251.128874	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-2H"	-2.014552
"87748"	1007.537324	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M-H"	-1.007276
"526214"	1511.809624	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M-H"	-1.007276
"901830"	503.265024	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-H"	-1.007276
"54017"	1024.563871	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M-2H+NH4"	16.019271
"487861"	1528.836171	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M-2H+NH4"	16.019271
"872475"	520.291571	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-2H+NH4"	16.019271
"32228"	1029.519266	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M-2H+Na"	20.974666
"476659"	1533.791566	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M-2H+Na"	20.974666
"852272"	525.246966	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-2H+Na"	20.974666
"1623996"	525.246966	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Na-2H"	20.974666
"98338"	521.253363	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M-H+Cl"	33.962126
"534981"	773.389513	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M-H+Cl"	33.962126
"928131"	269.117213	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-H+Cl"	33.962126
"269969"	1043.514002	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+Cl"	34.969402
"660559"	1547.786302	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+Cl"	34.969402
"1278075"	539.241702	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Cl"	34.969402
"25007"	1045.493206	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M-2H+K"	36.948606
"470039"	1549.765506	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M-2H+K"	36.948606
"847476"	541.220906	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-2H+K"	36.948606
"1568779"	541.220906	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+K-2H"	36.948606
"954838"	549.270494	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-H+HCOOH"	44.998194
"370866"	1053.542801	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+HCOOH-H"	44.998201
"358396"	1067.558451	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+Hac-H"	59.013851
"1507602"	563.286151	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Hac-H"	59.013851
"972594"	571.252451	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-H+NaCOOH"	66.980151
"121859"	539.241702	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+2Cl"	69.938804
"561784"	791.377852	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+2Cl"	69.938804
"1033499"	287.105552	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2Cl"	69.938804
"1251983"	583.191185	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Br"	78.918885
"1312608"	585.247172	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Cl+HCOOH"	80.974872
"1331196"	607.229129	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Cl+NaCOOH"	102.956829
"921161"	617.257886	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M-H+CF3COOH"	112.985586
"1297868"	653.234564	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Cl+CF3COOH"	148.962264
"1380403"	469.259624	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H-2H2O"	-35.012676
"1395350"	487.2696	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H-H2O"	-17.0027
"294673"	1009.551876	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+H"	1.007276
"687458"	1513.824176	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+H"	1.007276
"1363444"	505.279576	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H"	1.007276
"134879"	505.279576	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+2H"	2.014552
"572253"	757.415726	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+2H"	2.014552
"1038986"	253.143426	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2H"	2.014552
"207008"	337.188809333333	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+3H"	3.021828
"646448"	505.279576	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+3H"	3.021828
"1165667"	169.098042666667	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+3H"	3.021828
"427723"	1026.578423	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+NH4"	18.033823
"787627"	1530.850723	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+NH4"	18.033823
"1682134"	522.306123	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+NH4"	18.033823
"331629"	513.7928495	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+H+NH4"	19.041099
"727940"	765.9289995	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+H+NH4"	19.041099
"1480668"	261.6566995	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H+NH4"	19.041099
"399348"	1031.533818	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+Na"	22.989218
"761437"	1535.806118	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+Na"	22.989218
"1610629"	527.261518	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Na"	22.989218
"322852"	516.270547	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+H+Na"	23.996494
"713087"	768.406697	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+H+Na"	23.996494
"1468000"	264.134397	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H+Na"	23.996494
"1063432"	176.425356666667	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2H+Na"	25.00377
"1265113"	537.305786	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+CH3OH+H"	33.033486
"383686"	1047.507758	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+K"	38.963158
"749056"	1551.780058	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+K"	38.963158
"1550016"	543.235458	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+K"	38.963158
"307195"	524.257517	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+H+K"	39.970434
"700712"	776.393667	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+H+K"	39.970434
"1459638"	272.121367	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H+K"	39.970434
"247505"	1050.578426	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+ACN+H"	42.033826
"1221312"	546.306126	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+ACN+H"	42.033826
"1199725"	273.656701	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+ACN+2H"	43.041102
"198066"	1053.51576	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+2Na-H"	44.97116
"635438"	1557.78806	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+2Na-H"	44.97116
"1143316"	549.24346	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2Na-H"	44.97116
"180045"	527.261518	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+2Na"	45.978436
"614623"	779.397668	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+2Na"	45.978436
"1120925"	275.125368	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2Na"	45.978436
"1399343"	183.752670666667	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H+2Na"	46.985712
"1436565"	551.285046	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H+HCOOH"	47.012746
"225168"	532.29454	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+3H2O+2H"	56.04448
"1510314"	565.33709	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+IsoProp+H"	61.06479
"411826"	535.248488	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+Na+K"	61.952376
"772089"	787.384638	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+Na+K"	61.952376
"1674621"	283.112338	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Na+K"	61.952376
"266248"	1072.560368	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+ACN+Na"	64.015768
"1240656"	568.288068	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+ACN+Na"	64.015768
"1722737"	568.311593	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+NH4+HCOOH"	64.039293
"1185905"	191.079984666667	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+3Na"	68.967654
"1661265"	573.266988	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Na+HCOOH"	68.994688
"167034"	1085.46364	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+2K-H"	76.91904
"609879"	1589.73594	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+2K-H"	76.91904
"1095485"	581.19134	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2K-H"	76.91904
"151208"	543.235458	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"2M+2K"	77.926316
"583114"	795.371608	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"3M+2K"	77.926316
"1070906"	291.099308	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2K"	77.926316
"1103750"	583.205892	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2K+H"	78.933592
"1337583"	583.293507	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+DMSO+H"	79.021207
"1009033"	587.332676	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2ACN+H"	83.060376
"1526790"	588.326308	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+IsoProp+Na+H"	84.054008
"992145"	294.169976	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+2ACN+2H"	84.067652
"1590299"	589.240928	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+K+HCOOH"	84.968628
"1415960"	619.272438	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+H+CF3COOH"	115.000138
"1147827"	314.683251	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+3ACN+2H"	125.094202
"1707472"	636.298985	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+NH4+CF3COOH"	132.026685
"1644579"	641.25438	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+Na+CF3COOH"	136.98208
"1586790"	657.22832	"C15537"	"Taxuyunnanin C"	"C28H40O8"	"504.2723"	"M+K+CF3COOH"	152.95602
"813877"	462.2618	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M"	0
"980847"	443.24341	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-H2O-H"	-19.01839
"71281"	307.167257333333	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M-3H"	-3.021828
"518094"	461.254524	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M-3H"	-3.021828
"893018"	153.079990666667	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-3H"	-3.021828
"11964"	461.254524	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M-2H"	-2.014552
"451158"	692.385424	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M-2H"	-2.014552
"823494"	230.123624	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-2H"	-2.014552
"83485"	923.516324	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M-H"	-1.007276
"529244"	1385.778124	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M-H"	-1.007276
"906314"	461.254524	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-H"	-1.007276
"58501"	940.542871	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M-2H+NH4"	16.019271
"491502"	1402.804671	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M-2H+NH4"	16.019271
"872586"	478.281071	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-2H+NH4"	16.019271
"37208"	945.498266	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M-2H+Na"	20.974666
"482237"	1407.760066	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M-2H+Na"	20.974666
"857849"	483.236466	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-2H+Na"	20.974666
"1624106"	483.236466	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Na-2H"	20.974666
"102822"	479.242863	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M-H+Cl"	33.962126
"535455"	710.373763	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M-H+Cl"	33.962126
"928241"	248.111963	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-H+Cl"	33.962126
"271173"	959.493002	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+Cl"	34.969402
"663594"	1421.754802	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+Cl"	34.969402
"1273279"	497.231202	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Cl"	34.969402
"25845"	961.472206	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M-2H+K"	36.948606
"469053"	1423.734006	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M-2H+K"	36.948606
"848294"	499.210406	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-2H+K"	36.948606
"1569983"	499.210406	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+K-2H"	36.948606
"956773"	507.259994	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-H+HCOOH"	44.998194
"370976"	969.521801	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+HCOOH-H"	44.998201
"359965"	983.537451	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+Hac-H"	59.013851
"1506251"	521.275651	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Hac-H"	59.013851
"973429"	529.241951	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-H+NaCOOH"	66.980151
"124526"	497.231202	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+2Cl"	69.938804
"564085"	728.362102	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+2Cl"	69.938804
"1036165"	266.100302	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2Cl"	69.938804
"1256469"	541.180685	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Br"	78.918885
"1319774"	543.236672	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Cl+HCOOH"	80.974872
"1333860"	565.218629	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Cl+NaCOOH"	102.956829
"924919"	575.247386	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M-H+CF3COOH"	112.985586
"1303817"	611.224064	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Cl+CF3COOH"	148.962264
"1381489"	427.249124	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H-2H2O"	-35.012676
"1396919"	445.2591	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H-H2O"	-17.0027
"297337"	925.530876	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+H"	1.007276
"690122"	1387.792676	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+H"	1.007276
"1366108"	463.269076	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H"	1.007276
"134989"	463.269076	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+2H"	2.014552
"574550"	694.399976	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+2H"	2.014552
"1040432"	232.138176	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2H"	2.014552
"206876"	309.181809333333	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+3H"	3.021828
"647530"	463.269076	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+3H"	3.021828
"1166747"	155.094542666667	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+3H"	3.021828
"427835"	942.557423	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+NH4"	18.033823
"791016"	1404.819223	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+NH4"	18.033823
"1685161"	480.295623	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+NH4"	18.033823
"334534"	471.7823495	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+H+NH4"	19.041099
"728050"	702.9132495	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+H+NH4"	19.041099
"1489527"	240.6514495	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H+NH4"	19.041099
"399459"	947.512818	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+Na"	22.989218
"758266"	1409.774618	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+Na"	22.989218
"1608551"	485.251018	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Na"	22.989218
"319683"	474.260047	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+H+Na"	23.996494
"714290"	705.390947	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+H+Na"	23.996494
"1469204"	243.129147	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H+Na"	23.996494
"1058076"	162.421856666667	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2H+Na"	25.00377
"1265223"	495.295286	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+CH3OH+H"	33.033486
"388171"	963.486758	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+K"	38.963158
"749168"	1425.748558	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+K"	38.963158
"1551221"	501.224958	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+K"	38.963158
"309494"	482.247017	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+H+K"	39.970434
"706169"	713.377917	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+H+K"	39.970434
"1461287"	251.116117	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H+K"	39.970434
"246522"	966.557426	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+ACN+H"	42.033826
"1221420"	504.295626	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+ACN+H"	42.033826
"1203118"	252.651451	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+ACN+2H"	43.041102
"198177"	969.49476	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+2Na-H"	44.97116
"637735"	1431.75656	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+2Na-H"	44.97116
"1144520"	507.23296	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2Na-H"	44.97116
"183436"	485.251018	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+2Na"	45.978436
"619717"	716.381918	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+2Na"	45.978436
"1121035"	254.120118	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2Na"	45.978436
"1404560"	169.749170666667	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H+2Na"	46.985712
"1434489"	509.274546	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H+HCOOH"	47.012746
"225278"	490.28404	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+3H2O+2H"	56.04448
"1513342"	523.32659	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+IsoProp+H"	61.06479
"415214"	493.237988	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+Na+K"	61.952376
"775118"	724.368888	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+Na+K"	61.952376
"1675824"	262.107088	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Na+K"	61.952376
"266116"	988.539368	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+ACN+Na"	64.015768
"1240284"	526.277568	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+ACN+Na"	64.015768
"1722848"	526.301093	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+NH4+HCOOH"	64.039293
"1191486"	177.076484666667	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+3Na"	68.967654
"1664657"	531.256488	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Na+HCOOH"	68.994688
"169333"	1001.44264	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+2K-H"	76.91904
"604522"	1463.70444	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+2K-H"	76.91904
"1098270"	539.18084	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2K-H"	76.91904
"156303"	501.224958	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"2M+2K"	77.926316
"588693"	732.355858	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"3M+2K"	77.926316
"1074298"	270.094058	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2K"	77.926316
"1107508"	541.195392	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2K+H"	78.933592
"1339518"	541.283007	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+DMSO+H"	79.021207
"1011329"	545.322176	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2ACN+H"	83.060376
"1526901"	546.315808	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+IsoProp+Na+H"	84.054008
"993713"	273.164726	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+2ACN+2H"	84.067652
"1590409"	547.230428	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+K+HCOOH"	84.968628
"1415337"	577.261938	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+H+CF3COOH"	115.000138
"1148545"	293.678001	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+3ACN+2H"	125.094202
"1711957"	594.288485	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+NH4+CF3COOH"	132.026685
"1649633"	599.24388	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+Na+CF3COOH"	136.98208
"1586900"	615.21782	"C15538"	"10-Desacetyltaxuyunnanin C"	"C26H38O7"	"462.2618"	"M+K+CF3COOH"	152.95602
"815816"	1008.7183	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M"	0
"989392"	989.69991	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H2O-H"	-19.01839
"74673"	671.471590666667	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-3H"	-3.021828
"509863"	1007.711024	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-3H"	-3.021828
"888758"	335.232157333333	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-3H"	-3.021828
"12800"	1007.711024	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H"	-2.014552
"450176"	1512.070174	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H"	-2.014552
"829801"	503.351874	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H"	-2.014552
"89793"	2016.429324	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-H"	-1.007276
"525345"	3025.147624	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-H"	-1.007276
"902054"	1007.711024	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H"	-1.007276
"58253"	2033.455871	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H+NH4"	16.019271
"498178"	3042.174171	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H+NH4"	16.019271
"871605"	1024.737571	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H+NH4"	16.019271
"37321"	2038.411266	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H+Na"	20.974666
"479069"	3047.129566	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H+Na"	20.974666
"850430"	1029.692966	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H+Na"	20.974666
"1622029"	1029.692966	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na-2H"	20.974666
"100743"	1025.699363	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-H+Cl"	33.962126
"535931"	1530.058513	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-H+Cl"	33.962126
"933822"	521.340213	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+Cl"	33.962126
"271284"	2052.406002	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Cl"	34.969402
"669176"	3061.124302	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+Cl"	34.969402
"1286320"	1043.687702	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl"	34.969402
"29241"	2054.385206	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M-2H+K"	36.948606
"468436"	3063.103506	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M-2H+K"	36.948606
"845875"	1045.666906	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-2H+K"	36.948606
"1569365"	1045.666906	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K-2H"	36.948606
"954697"	1053.716494	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+HCOOH"	44.998194
"373278"	2062.434801	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+HCOOH-H"	44.998201
"358255"	2076.450451	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Hac-H"	59.013851
"1506359"	1067.732151	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Hac-H"	59.013851
"972080"	1075.698451	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+NaCOOH"	66.980151
"123540"	1043.687702	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2Cl"	69.938804
"563098"	1548.046852	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2Cl"	69.938804
"1034447"	539.328552	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2Cl"	69.938804
"1255485"	1087.637185	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Br"	78.918885
"1313921"	1089.693172	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl+HCOOH"	80.974872
"1334335"	1111.675129	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl+NaCOOH"	102.956829
"923568"	1121.703886	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M-H+CF3COOH"	112.985586
"1303603"	1157.680564	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Cl+CF3COOH"	148.962264
"1382502"	973.705624	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H-2H2O"	-35.012676
"1397517"	991.7156	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H-H2O"	-17.0027
"290158"	2018.443876	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H"	1.007276
"682584"	3027.162176	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H"	1.007276
"1358933"	1009.725576	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H"	1.007276
"128540"	1009.725576	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2H"	2.014552
"568101"	1514.084726	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2H"	2.014552
"1041270"	505.366426	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2H"	2.014552
"209171"	673.486142666667	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+3H"	3.021828
"647640"	1009.725576	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+3H"	3.021828
"1166860"	337.246709333333	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+3H"	3.021828
"426852"	2035.470423	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+NH4"	18.033823
"788207"	3044.188723	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+NH4"	18.033823
"1686369"	1026.752123	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+NH4"	18.033823
"342301"	1018.2388495	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H+NH4"	19.041099
"732536"	1522.5979995	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H+NH4"	19.041099
"1489637"	513.8796995	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+NH4"	19.041099
"407953"	2040.425818	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Na"	22.989218
"764938"	3049.144118	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+Na"	22.989218
"1611943"	1031.707518	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na"	22.989218
"323074"	1020.716547	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H+Na"	23.996494
"714401"	1525.075697	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H+Na"	23.996494
"1468223"	516.357397	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+Na"	23.996494
"1064749"	344.574023333333	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2H+Na"	25.00377
"1268614"	1041.751786	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+CH3OH+H"	33.033486
"385001"	2056.399758	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+K"	38.963158
"751466"	3065.118058	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+K"	38.963158
"1551332"	1047.681458	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K"	38.963158
"311788"	1028.703517	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+H+K"	39.970434
"702027"	1533.062667	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+H+K"	39.970434
"1456941"	524.344367	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+K"	39.970434
"247731"	2059.470426	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+ACN+H"	42.033826
"1216065"	1050.752126	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+ACN+H"	42.033826
"1195697"	525.879701	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+ACN+2H"	43.041102
"192819"	2062.40776	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2Na-H"	44.97116
"632380"	3071.12606	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2Na-H"	44.97116
"1136980"	1053.68946	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2Na-H"	44.97116
"178082"	1031.707518	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2Na"	45.978436
"617644"	1536.066668	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2Na"	45.978436
"1120055"	527.348368	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2Na"	45.978436
"1404674"	351.901337333333	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+2Na"	46.985712
"1434600"	1055.731046	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+HCOOH"	47.012746
"225391"	1036.74054	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+3H2O+2H"	56.04448
"1518920"	1069.78309	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+IsoProp+H"	61.06479
"415326"	1039.694488	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+Na+K"	61.952376
"782885"	1544.053638	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+Na+K"	61.952376
"1679215"	535.335338	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na+K"	61.952376
"262460"	2081.452368	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+ACN+Na"	64.015768
"1236262"	1072.734068	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+ACN+Na"	64.015768
"1724053"	1072.757593	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+NH4+HCOOH"	64.039293
"1183946"	359.228651333333	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+3Na"	68.967654
"1652746"	1077.712988	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na+HCOOH"	68.994688
"161794"	2094.35564	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2K-H"	76.91904
"606823"	3103.07394	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2K-H"	76.91904
"1086231"	1085.63734	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2K-H"	76.91904
"145962"	1047.681458	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"2M+2K"	77.926316
"587710"	1552.040608	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"3M+2K"	77.926316
"1073316"	543.322308	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2K"	77.926316
"1105432"	1087.651892	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2K+H"	78.933592
"1342914"	1087.739507	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+DMSO+H"	79.021207
"1012538"	1091.778676	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2ACN+H"	83.060376
"1531760"	1092.772308	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+IsoProp+Na+H"	84.054008
"998209"	546.392976	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+2ACN+2H"	84.067652
"1587850"	1093.686928	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K+HCOOH"	84.968628
"1420563"	1123.718438	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+H+CF3COOH"	115.000138
"1150852"	566.906251	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+3ACN+2H"	125.094202
"1700402"	1140.744985	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+NH4+CF3COOH"	132.026685
"1645895"	1145.70038	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+Na+CF3COOH"	136.98208
"1587012"	1161.67432	"C15542"	"D-Mannosyl-1-phosphoundecaprenol"	"C61H101O9P"	"1008.7183"	"M+K+CF3COOH"	152.95602
"807538"	219.112	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M"	0
"987638"	200.09361	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-H2O-H"	-19.01839
"74785"	145.067390666667	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M-3H"	-3.021828
"512159"	218.104724	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M-3H"	-3.021828
"886680"	72.0300573333333	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-3H"	-3.021828
"9629"	218.104724	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M-2H"	-2.014552
"447000"	327.660724	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M-2H"	-2.014552
"822616"	108.548724	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-2H"	-2.014552
"85889"	437.216724	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M-H"	-1.007276
"525449"	656.328724	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M-H"	-1.007276
"903258"	218.104724	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-H"	-1.007276
"54350"	454.243271	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M-2H+NH4"	16.019271
"499379"	673.355271	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M-2H+NH4"	16.019271
"870622"	235.131271	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-2H+NH4"	16.019271
"37430"	459.198666	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M-2H+Na"	20.974666
"473831"	678.310666	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M-2H+Na"	20.974666
"849565"	240.086666	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-2H+Na"	20.974666
"1623233"	240.086666	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Na-2H"	20.974666
"99764"	236.093063	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M-H+Cl"	33.962126
"538231"	345.649063	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M-H+Cl"	33.962126
"930651"	126.537063	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-H+Cl"	33.962126
"271394"	473.193402	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+Cl"	34.969402
"668922"	692.305402	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+Cl"	34.969402
"1284971"	254.081402	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Cl"	34.969402
"29717"	475.172606	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M-2H+K"	36.948606
"469642"	694.284606	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M-2H+K"	36.948606
"844892"	256.060606	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-2H+K"	36.948606
"1570210"	256.060606	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+K-2H"	36.948606
"957359"	264.110194	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-H+HCOOH"	44.998194
"375945"	483.222201	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+HCOOH-H"	44.998201
"359947"	497.237851	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+Hac-H"	59.013851
"1505746"	278.125851	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Hac-H"	59.013851
"971101"	286.092151	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-H+NaCOOH"	66.980151
"123282"	254.081402	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+2Cl"	69.938804
"562112"	363.637402	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+2Cl"	69.938804
"1035651"	144.525402	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2Cl"	69.938804
"1252676"	298.030885	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Br"	78.918885
"1317312"	300.086872	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Cl+HCOOH"	80.974872
"1331162"	322.068829	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Cl+NaCOOH"	102.956829
"921491"	332.097586	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M-H+CF3COOH"	112.985586
"1300021"	368.074264	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Cl+CF3COOH"	148.962264
"1373086"	184.099324	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H-2H2O"	-35.012676
"1394956"	202.1093	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H-H2O"	-17.0027
"285898"	439.231276	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+H"	1.007276
"678319"	658.343276	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+H"	1.007276
"1352723"	220.119276	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H"	1.007276
"129742"	220.119276	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+2H"	2.014552
"569302"	329.675276	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+2H"	2.014552
"1039315"	110.563276	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2H"	2.014552
"211469"	147.081942666667	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+3H"	3.021828
"654309"	220.119276	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+3H"	3.021828
"1165142"	74.0446093333333	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+3H"	3.021828
"425865"	456.257823	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+NH4"	18.033823
"786988"	675.369823	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+NH4"	18.033823
"1689759"	237.145823	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+NH4"	18.033823
"342411"	228.6325495	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+H+NH4"	19.041099
"729366"	338.1885495	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+H+NH4"	19.041099
"1489747"	119.0765495	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H+NH4"	19.041099
"402959"	461.213218	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+Na"	22.989218
"761766"	680.325218	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+Na"	22.989218
"1609865"	242.101218	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Na"	22.989218
"318809"	231.110247	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+H+Na"	23.996494
"712323"	340.666247	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+H+Na"	23.996494
"1467239"	121.554247	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H+Na"	23.996494
"1057568"	81.3719233333333	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2H+Na"	25.00377
"1264348"	252.145486	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+CH3OH+H"	33.033486
"382924"	477.187158	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+K"	38.963158
"747201"	696.299158	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+K"	38.963158
"1550348"	258.075158	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+K"	38.963158
"309712"	239.097217	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+H+K"	39.970434
"701044"	348.653217	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+H+K"	39.970434
"1459240"	129.541217	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H+K"	39.970434
"244561"	480.257826	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+ACN+H"	42.033826
"1215082"	261.145826	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+ACN+H"	42.033826
"1194953"	131.076551	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+ACN+2H"	43.041102
"190744"	483.19516	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+2Na-H"	44.97116
"629569"	702.30716	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+2Na-H"	44.97116
"1132026"	264.08316	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2Na-H"	44.97116
"174182"	242.101218	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+2Na"	45.978436
"616660"	351.657218	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+2Na"	45.978436
"1121259"	132.545218	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2Na"	45.978436
"1402598"	88.6992373333333	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H+2Na"	46.985712
"1435806"	266.124746	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H+HCOOH"	47.012746
"223314"	247.13424	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+3H2O+2H"	56.04448
"1513562"	280.17679	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+IsoProp+H"	61.06479
"412157"	250.088188	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+Na+K"	61.952376
"780812"	359.644188	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+Na+K"	61.952376
"1679698"	140.532188	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Na+K"	61.952376
"262570"	502.239768	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+ACN+Na"	64.015768
"1230910"	283.127768	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+ACN+Na"	64.015768
"1719796"	283.151293	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+NH4+HCOOH"	64.039293
"1181871"	96.0265513333333	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+3Na"	68.967654
"1655042"	288.106688	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Na+HCOOH"	68.994688
"162997"	515.14304	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+2K-H"	76.91904
"601465"	734.25504	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+2K-H"	76.91904
"1085003"	296.03104	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2K-H"	76.91904
"143885"	258.075158	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"2M+2K"	77.926316
"585632"	367.631158	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"3M+2K"	77.926316
"1070511"	148.519158	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2K"	77.926316
"1105550"	298.045592	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2K+H"	78.933592
"1341931"	298.133207	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+DMSO+H"	79.021207
"1010460"	302.172376	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2ACN+H"	83.060376
"1529684"	303.166008	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+IsoProp+Na+H"	84.054008
"997226"	151.589826	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+2ACN+2H"	84.067652
"1590636"	304.080628	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+K+HCOOH"	84.968628
"1420670"	334.112138	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+H+CF3COOH"	115.000138
"1156425"	172.103101	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+3ACN+2H"	125.094202
"1701602"	351.138685	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+NH4+CF3COOH"	132.026685
"1642721"	356.09408	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+Na+CF3COOH"	136.98208
"1572904"	372.06802	"C15545"	"cis-Zeatin;(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol"	"C10H13N5O"	"219.112"	"M+K+CF3COOH"	152.95602
"806555"	381.1648	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M"	0
"989208"	362.14641	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H2O-H"	-19.01839
"74895"	253.102590666667	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-3H"	-3.021828
"511176"	380.157524	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-3H"	-3.021828
"886790"	126.047657333333	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-3H"	-3.021828
"9739"	380.157524	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H"	-2.014552
"448203"	570.739924	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H"	-2.014552
"823819"	189.575124	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H"	-2.014552
"84906"	761.322324	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-H"	-1.007276
"527745"	1142.487124	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-H"	-1.007276
"903368"	380.157524	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H"	-1.007276
"54460"	778.348871	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+NH4"	16.019271
"498396"	1159.513671	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+NH4"	16.019271
"870732"	397.184071	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+NH4"	16.019271
"38633"	783.304266	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+Na"	20.974666
"471673"	1164.469066	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+Na"	20.974666
"849434"	402.139466	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+Na"	20.974666
"1620063"	402.139466	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na-2H"	20.974666
"99872"	398.145863	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-H+Cl"	33.962126
"536152"	588.728263	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-H+Cl"	33.962126
"930761"	207.563463	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+Cl"	33.962126
"272597"	797.299002	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Cl"	34.969402
"668668"	1178.463802	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Cl"	34.969402
"1284352"	416.134202	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl"	34.969402
"29827"	799.278206	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+K"	36.948606
"467929"	1180.443006	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+K"	36.948606
"846095"	418.113406	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+K"	36.948606
"1571157"	418.113406	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K-2H"	36.948606
"957468"	426.162994	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+HCOOH"	44.998194
"375930"	807.327801	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+HCOOH-H"	44.998201
"360542"	821.343451	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Hac-H"	59.013851
"1507674"	440.178651	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Hac-H"	59.013851
"973027"	448.144951	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+NaCOOH"	66.980151
"123029"	416.134202	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Cl"	69.938804
"563682"	606.716602	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Cl"	69.938804
"1035033"	225.551802	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Cl"	69.938804
"1252786"	460.083685	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Br"	78.918885
"1314870"	462.139672	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+HCOOH"	80.974872
"1332367"	484.121629	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+NaCOOH"	102.956829
"921601"	494.150386	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+CF3COOH"	112.985586
"1300131"	530.127064	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+CF3COOH"	148.962264
"1368820"	346.152124	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H-2H2O"	-35.012676
"1387410"	364.1621	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H-H2O"	-17.0027
"283456"	763.336876	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H"	1.007276
"681708"	1144.501676	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H"	1.007276
"1352347"	382.172076	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H"	1.007276
"127664"	382.172076	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2H"	2.014552
"566978"	572.754476	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2H"	2.014552
"1043678"	191.589676	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2H"	2.014552
"211579"	255.117142666667	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+3H"	3.021828
"648952"	382.172076	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+3H"	3.021828
"1163185"	128.062209333333	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+3H"	3.021828
"424516"	780.363423	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+NH4"	18.033823
"790258"	1161.528223	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+NH4"	18.033823
"1689869"	399.198623	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4"	18.033823
"342521"	390.6853495	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+NH4"	19.041099
"729476"	581.2677495	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+NH4"	19.041099
"1489857"	200.1029495	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+NH4"	19.041099
"403069"	785.318818	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Na"	22.989218
"761876"	1166.483618	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Na"	22.989218
"1611068"	404.154018	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na"	22.989218
"317826"	393.163047	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+Na"	23.996494
"711340"	583.745447	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+Na"	23.996494
"1468442"	202.580647	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+Na"	23.996494
"1058407"	135.389523333333	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2H+Na"	25.00377
"1263365"	414.198286	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+CH3OH+H"	33.033486
"383034"	801.292758	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+K"	38.963158
"746218"	1182.457558	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+K"	38.963158
"1550458"	420.127958	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K"	38.963158
"309822"	401.150017	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+K"	39.970434
"697874"	591.732417	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+K"	39.970434
"1454975"	210.567617	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+K"	39.970434
"242484"	804.363426	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+ACN+H"	42.033826
"1211912"	423.198626	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+H"	42.033826
"1194416"	212.102951	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+2H"	43.041102
"188906"	807.30076	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Na-H"	44.97116
"630769"	1188.46556	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Na-H"	44.97116
"1131770"	426.13596	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Na-H"	44.97116
"173085"	404.154018	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Na"	45.978436
"613490"	594.736418	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Na"	45.978436
"1116387"	213.571618	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Na"	45.978436
"1400885"	142.716837333333	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+2Na"	46.985712
"1433729"	428.177546	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+HCOOH"	47.012746
"220506"	409.18704	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+3H2O+2H"	56.04448
"1509661"	442.22959	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+IsoProp+H"	61.06479
"411172"	412.140988	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Na+K"	61.952376
"781651"	602.723388	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Na+K"	61.952376
"1679808"	221.558588	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+K"	61.952376
"260494"	826.345368	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+ACN+Na"	64.015768
"1227010"	445.180568	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+Na"	64.015768
"1713709"	445.204093	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4+HCOOH"	64.039293
"1179063"	150.044151333333	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+3Na"	68.967654
"1652966"	450.159488	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+HCOOH"	68.994688
"162014"	839.24864	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2K-H"	76.91904
"597928"	1220.41344	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2K-H"	76.91904
"1085112"	458.08384	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K-H"	76.91904
"142415"	420.127958	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2K"	77.926316
"584649"	610.710358	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2K"	77.926316
"1072440"	229.545558	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K"	77.926316
"1102370"	460.098392	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K+H"	78.933592
"1344227"	460.186007	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+DMSO+H"	79.021207
"1012756"	464.225176	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2ACN+H"	83.060376
"1530887"	465.218808	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+IsoProp+Na+H"	84.054008
"996243"	232.616226	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+2ACN+2H"	84.067652
"1590746"	466.133428	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K+HCOOH"	84.968628
"1420780"	496.164938	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+CF3COOH"	115.000138
"1157628"	253.129501	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+3ACN+2H"	125.094202
"1701712"	513.191485	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4+CF3COOH"	132.026685
"1642831"	518.14688	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+CF3COOH"	136.98208
"1573014"	534.12082	"C15546"	"O-beta-D-Glucopyranosyl-cis-zeatin;cis-Zeatin-O-glucoside"	"C16H23N5O6"	"381.1648"	"M+K+CF3COOH"	152.95602
"813226"	953.1469	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M"	0
"985672"	934.12851	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-H2O-H"	-19.01839
"69541"	634.423990666667	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M-3H"	-3.021828
"514566"	952.139624	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M-3H"	-3.021828
"882528"	316.708357333333	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-3H"	-3.021828
"5476"	952.139624	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M-2H"	-2.014552
"454149"	1428.713074	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M-2H"	-2.014552
"829766"	475.566174	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-2H"	-2.014552
"90120"	1905.286524	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M-H"	-1.007276
"527857"	2858.433424	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M-H"	-1.007276
"901290"	952.139624	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-H"	-1.007276
"51290"	1922.313071	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M-2H+NH4"	16.019271
"495227"	2875.459971	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M-2H+NH4"	16.019271
"867562"	969.166171	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-2H+NH4"	16.019271
"33277"	1927.268466	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M-2H+Na"	20.974666
"472836"	2880.415366	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M-2H+Na"	20.974666
"851731"	974.121566	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-2H+Na"	20.974666
"1621266"	974.121566	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Na-2H"	20.974666
"98888"	970.127963	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M-H+Cl"	33.962126
"540637"	1446.701413	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M-H+Cl"	33.962126
"934150"	493.554513	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-H+Cl"	33.962126
"275988"	1941.263202	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+Cl"	34.969402
"669506"	2894.410102	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+Cl"	34.969402
"1281911"	988.116302	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Cl"	34.969402
"26658"	1943.242406	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M-2H+K"	36.948606
"466946"	2896.389306	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M-2H+K"	36.948606
"841832"	990.095506	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-2H+K"	36.948606
"1567511"	990.095506	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+K-2H"	36.948606
"955391"	998.145094	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-H+HCOOH"	44.998194
"375067"	1951.292001	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+HCOOH-H"	44.998201
"357490"	1965.307651	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+Hac-H"	59.013851
"1507052"	1012.160751	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Hac-H"	59.013851
"970584"	1020.127051	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-H+NaCOOH"	66.980151
"122775"	988.116302	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+2Cl"	69.938804
"563060"	1464.689752	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+2Cl"	69.938804
"1033684"	511.542852	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2Cl"	69.938804
"1252532"	1032.065785	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Br"	78.918885
"1313157"	1034.121772	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Cl+HCOOH"	80.974872
"1329559"	1056.103729	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Cl+NaCOOH"	102.956829
"925238"	1066.132486	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M-H+CF3COOH"	112.985586
"1302065"	1102.109164	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Cl+CF3COOH"	148.962264
"1371481"	918.134224	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H-2H2O"	-35.012676
"1389708"	936.1442	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H-H2O"	-17.0027
"286119"	1907.301076	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+H"	1.007276
"679632"	2860.447976	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+H"	1.007276
"1351971"	954.154176	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H"	1.007276
"128867"	954.154176	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+2H"	2.014552
"569523"	1430.727626	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+2H"	2.014552
"1042692"	477.580726	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2H"	2.014552
"205493"	636.438542666667	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+3H"	3.021828
"646876"	954.154176	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+3H"	3.021828
"1163007"	318.722909333333	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+3H"	3.021828
"425115"	1924.327623	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+NH4"	18.033823
"794743"	2877.474523	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+NH4"	18.033823
"1693261"	971.180723	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+NH4"	18.033823
"340446"	962.6674495	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+H+NH4"	19.041099
"732866"	1439.2408995	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+H+NH4"	19.041099
"1486689"	486.0939995	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H+NH4"	19.041099
"397713"	1929.283018	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+Na"	22.989218
"765267"	2882.429918	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+Na"	22.989218
"1608992"	976.136118	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Na"	22.989218
"323403"	965.145147	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+H+Na"	23.996494
"713638"	1441.718597	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+H+Na"	23.996494
"1470739"	488.571697	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H+Na"	23.996494
"1061799"	326.050223333333	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2H+Na"	25.00377
"1265662"	986.180386	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+CH3OH+H"	33.033486
"385331"	1945.256958	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+K"	38.963158
"748516"	2898.403858	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+K"	38.963158
"1548381"	992.110058	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+K"	38.963158
"311027"	973.132117	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+H+K"	39.970434
"699078"	1449.705567	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+H+K"	39.970434
"1453993"	496.558667	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H+K"	39.970434
"239315"	1948.327626	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+ACN+H"	42.033826
"1212023"	995.180726	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+ACN+H"	42.033826
"1197001"	498.094001	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+ACN+2H"	43.041102
"189503"	1951.26496	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+2Na-H"	44.97116
"629105"	2904.41186	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+2Na-H"	44.97116
"1131554"	998.11806	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2Na-H"	44.97116
"174035"	976.136118	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+2Na"	45.978436
"614695"	1452.709568	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+2Na"	45.978436
"1117836"	499.562668	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2Na"	45.978436
"1408287"	333.377537333333	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H+2Na"	46.985712
"1440039"	1000.159646	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H+HCOOH"	47.012746
"225723"	981.16914	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+3H2O+2H"	56.04448
"1511960"	1014.21169	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+IsoProp+H"	61.06479
"410190"	984.123088	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+Na+K"	61.952376
"776657"	1460.696538	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+Na+K"	61.952376
"1680281"	507.549638	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Na+K"	61.952376
"262426"	1970.309568	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+ACN+Na"	64.015768
"1230038"	1017.162668	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+ACN+Na"	64.015768
"1718925"	1017.186193	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+NH4+HCOOH"	64.039293
"1184279"	340.704851333333	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+3Na"	68.967654
"1653078"	1022.141588	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Na+HCOOH"	68.994688
"162124"	1983.21284	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+2K-H"	76.91904
"602779"	2936.35974	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+2K-H"	76.91904
"1084453"	1030.06594	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2K-H"	76.91904
"143376"	992.110058	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"2M+2K"	77.926316
"584760"	1468.683508	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"3M+2K"	77.926316
"1073646"	515.536608	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2K"	77.926316
"1103575"	1032.080492	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2K+H"	78.933592
"1342151"	1032.168107	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+DMSO+H"	79.021207
"1009587"	1036.207276	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2ACN+H"	83.060376
"1526624"	1037.200908	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+IsoProp+Na+H"	84.054008
"993072"	518.607276	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+2ACN+2H"	84.067652
"1589763"	1038.115528	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+K+HCOOH"	84.968628
"1418703"	1068.147038	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+H+CF3COOH"	115.000138
"1155554"	539.120551	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+3ACN+2H"	125.094202
"1707293"	1085.173585	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+NH4+CF3COOH"	132.026685
"1639662"	1090.12898	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+Na+CF3COOH"	136.98208
"1577500"	1106.10292	"C15547"	"14-Dihydroxy-2-naphthoyl-CoA"	"C32H42N7O19P3S"	"953.1469"	"M+K+CF3COOH"	152.95602
"807868"	342.1162	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M"	0
"984688"	323.09781	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"72931"	227.070190666667	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"517471"	341.108924	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"882638"	113.031457333333	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"2670"	341.108924	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"447333"	512.167024	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"826230"	170.050824	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"89138"	683.225124	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"524688"	1025.341324	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"899211"	341.108924	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"51400"	700.251671	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"495334"	1042.367871	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"873139"	358.135471	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"32414"	705.207066	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"471601"	1047.323266	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"851841"	363.090866	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1623562"	363.090866	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"97904"	359.097263	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"542932"	530.155363	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"936446"	188.039163	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"276096"	719.201802	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"672531"	1061.318002	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1284207"	377.085602	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"24578"	721.181006	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"463044"	1063.297206	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"840848"	379.064806	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1569324"	379.064806	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"954408"	387.114394	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"374084"	729.230601	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"355778"	743.246251	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1506433"	401.130051	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"972639"	409.096351	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"123856"	377.085602	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"562078"	548.143702	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1034522"	206.027502	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1253006"	421.035085	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1312173"	423.091072	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1327845"	445.073029	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"919635"	455.101786	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1302903"	491.078464	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1373047"	307.103524	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1388724"	325.1135	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"286229"	685.239676	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"678649"	1027.355876	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1354997"	343.123476	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"128978"	343.123476	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"568539"	514.181576	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1042805"	172.065376	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"207426"	229.084742666667	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"648079"	343.123476	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1164014"	115.046009333333	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"427290"	702.266223	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795946"	1044.382423	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1694464"	360.150023	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"340556"	351.6367495	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"731883"	522.6948495	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1487892"	180.5786495	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"400010"	707.221618	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"764284"	1049.337818	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1614570"	365.105418	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"327887"	354.114447	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"717029"	525.172547	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1471943"	183.056347	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1061909"	122.373323333333	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1270147"	375.149686	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"387628"	723.195558	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"749719"	1065.311758	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1550678"	381.079358	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"311139"	362.101417	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"703560"	533.159517	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1456291"	191.043317	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"240518"	726.266226	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1214320"	384.150026	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1200756"	192.578651	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"189612"	729.20356	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"630635"	1071.31976	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1133412"	387.08736	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"173905"	365.105418	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"615534"	536.163518	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1119039"	194.047318	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1405845"	129.700637333333	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1437597"	389.128946	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"224740"	370.13844	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1510978"	403.18099	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"418321"	373.092388	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"773487"	544.150488	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1679298"	202.034288	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"261443"	748.248168	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1230512"	406.131968	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1720128"	406.155493	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1187669"	137.027951333333	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1654281"	411.110888	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"160047"	761.15144	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"605076"	1103.26764	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1085577"	419.03524	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"145309"	381.079358	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"587056"	552.137458	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1072662"	210.021258	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1104778"	421.049792	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1338614"	421.137407	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1008604"	425.176576	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1527826"	426.170208	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"993182"	213.091926	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1589873"	427.084828	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1416626"	457.116338	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1155665"	233.605201	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1706309"	474.142885	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1640865"	479.09828	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1580890"	495.07222	"C15548"	"2-alpha-D-Glucosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"807978"	207.081	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M"	0
"987350"	188.06261	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-H2O-H"	-19.01839
"71948"	137.046724	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M-3H"	-3.021828
"515880"	206.073724	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M-3H"	-3.021828
"884935"	68.019724	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-3H"	-3.021828
"4603"	206.073724	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M-2H"	-2.014552
"447443"	309.614224	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M-2H"	-2.014552
"826340"	102.533224	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-2H"	-2.014552
"87425"	413.154724	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M-H"	-1.007276
"524798"	620.235724	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M-H"	-1.007276
"905880"	206.073724	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-H"	-1.007276
"53696"	430.181271	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M-2H+NH4"	16.019271
"495444"	637.262271	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M-2H+NH4"	16.019271
"874342"	223.100271	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-2H+NH4"	16.019271
"32883"	435.136666	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M-2H+Na"	20.974666
"475243"	642.217666	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M-2H+Na"	20.974666
"851951"	228.055666	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-2H+Na"	20.974666
"1622580"	228.055666	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Na-2H"	20.974666
"98015"	224.062063	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M-H+Cl"	33.962126
"541949"	327.602563	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M-H+Cl"	33.962126
"936556"	120.521563	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-H+Cl"	33.962126
"276206"	449.131402	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+Cl"	34.969402
"673005"	656.212402	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+Cl"	34.969402
"1285410"	242.050402	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Cl"	34.969402
"24688"	451.110606	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M-2H+K"	36.948606
"464247"	658.191606	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M-2H+K"	36.948606
"837678"	244.029606	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-2H+K"	36.948606
"1568458"	244.029606	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+K-2H"	36.948606
"954882"	252.079194	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-H+HCOOH"	44.998194
"374192"	459.160201	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+HCOOH-H"	44.998201
"355888"	473.175851	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+Hac-H"	59.013851
"1506543"	266.094851	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Hac-H"	59.013851
"967522"	274.061151	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-H+NaCOOH"	66.980151
"119711"	242.050402	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+2Cl"	69.938804
"557082"	345.590902	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+2Cl"	69.938804
"1032443"	138.509902	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2Cl"	69.938804
"1250929"	285.999885	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Br"	78.918885
"1312283"	288.055872	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Cl+HCOOH"	80.974872
"1325404"	310.037829	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Cl+NaCOOH"	102.956829
"915370"	320.066586	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M-H+CF3COOH"	112.985586
"1294264"	356.043264	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Cl+CF3COOH"	148.962264
"1369515"	172.068324	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H-2H2O"	-35.012676
"1384823"	190.0783	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H-H2O"	-17.0027
"289617"	415.169276	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+H"	1.007276
"680215"	622.250276	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+H"	1.007276
"1356199"	208.088276	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H"	1.007276
"129087"	208.088276	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+2H"	2.014552
"568649"	311.628776	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+2H"	2.014552
"1038541"	104.547776	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2H"	2.014552
"208629"	139.061276	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+3H"	3.021828
"647095"	208.088276	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+3H"	3.021828
"1162765"	70.034276	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+3H"	3.021828
"425578"	432.195823	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+NH4"	18.033823
"794963"	639.276823	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+NH4"	18.033823
"1690199"	225.114823	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+NH4"	18.033823
"340666"	216.6015495	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+H+NH4"	19.041099
"730900"	320.1420495	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+H+NH4"	19.041099
"1486907"	113.0610495	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H+NH4"	19.041099
"400484"	437.151218	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+Na"	22.989218
"764394"	644.232218	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+Na"	22.989218
"1614680"	230.070218	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Na"	22.989218
"324716"	219.079247	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+H+Na"	23.996494
"714953"	322.619747	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+H+Na"	23.996494
"1474240"	115.538747	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H+Na"	23.996494
"1059832"	77.36159	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2H+Na"	25.00377
"1269165"	240.114486	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+CH3OH+H"	33.033486
"387738"	453.125158	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+K"	38.963158
"745455"	660.206158	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+K"	38.963158
"1550788"	246.044158	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+K"	38.963158
"311247"	227.066217	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+H+K"	39.970434
"703668"	330.606717	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+H+K"	39.970434
"1456396"	123.525717	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H+K"	39.970434
"243908"	456.195826	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+ACN+H"	42.033826
"1215522"	249.114826	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+ACN+H"	42.033826
"1194206"	125.061051	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+ACN+2H"	43.041102
"189357"	459.13316	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+2Na-H"	44.97116
"629282"	666.21416	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+2Na-H"	44.97116
"1132054"	252.05216	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2Na-H"	44.97116
"173646"	230.070218	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+2Na"	45.978436
"615644"	333.610718	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+2Na"	45.978436
"1118420"	126.529718	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2Na"	45.978436
"1405955"	84.688904	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H+2Na"	46.985712
"1440623"	254.093746	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H+HCOOH"	47.012746
"222299"	235.10324	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+3H2O+2H"	56.04448
"1510359"	268.14579	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+IsoProp+H"	61.06479
"414786"	238.057188	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+Na+K"	61.952376
"774690"	341.597688	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+Na+K"	61.952376
"1679651"	134.516688	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Na+K"	61.952376
"262282"	478.177768	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+ACN+Na"	64.015768
"1230258"	271.096768	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+ACN+Na"	64.015768
"1720238"	271.120293	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+NH4+HCOOH"	64.039293
"1186686"	92.016218	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+3Na"	68.967654
"1652569"	276.075688	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Na+HCOOH"	68.994688
"159063"	491.08104	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+2K-H"	76.91904
"600812"	698.16204	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+2K-H"	76.91904
"1087509"	284.00004	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2K-H"	76.91904
"146511"	246.044158	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"2M+2K"	77.926316
"584978"	349.584658	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"3M+2K"	77.926316
"1072772"	142.503658	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2K"	77.926316
"1105980"	286.014592	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2K+H"	78.933592
"1337996"	286.102207	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+DMSO+H"	79.021207
"1008713"	290.141376	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2ACN+H"	83.060376
"1526843"	291.135008	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+IsoProp+Na+H"	84.054008
"994385"	145.574326	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+2ACN+2H"	84.067652
"1588281"	292.049628	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+K+HCOOH"	84.968628
"1416007"	322.081138	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+H+CF3COOH"	115.000138
"1155775"	166.087601	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+3ACN+2H"	125.094202
"1707512"	339.107685	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+NH4+CF3COOH"	132.026685
"1637695"	344.06308	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+Na+CF3COOH"	136.98208
"1581000"	360.03702	"C15549"	"Anthocyanin"	"C15H11O"	"207.081"	"M+K+CF3COOH"	152.95602
"817022"	385.1287	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M"	0
"987095"	366.11031	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-H2O-H"	-19.01839
"72057"	255.745190666667	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M-3H"	-3.021828
"507244"	384.121424	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M-3H"	-3.021828
"883952"	127.368957333333	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-3H"	-3.021828
"6902"	384.121424	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M-2H"	-2.014552
"447553"	576.685774	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M-2H"	-2.014552
"829731"	191.557074	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-2H"	-2.014552
"90815"	769.250124	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M-H"	-1.007276
"528190"	1154.378824	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M-H"	-1.007276
"898338"	384.121424	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-H"	-1.007276
"58181"	786.276671	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M-2H+NH4"	16.019271
"494461"	1171.405371	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M-2H+NH4"	16.019271
"877734"	401.147971	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-2H+NH4"	16.019271
"33607"	791.232066	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M-2H+Na"	20.974666
"479726"	1176.360766	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M-2H+Na"	20.974666
"854249"	406.103366	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-2H+Na"	20.974666
"1621597"	406.103366	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Na-2H"	20.974666
"99218"	402.109763	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M-H+Cl"	33.962126
"542060"	594.674113	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M-H+Cl"	33.962126
"933388"	209.545413	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-H+Cl"	33.962126
"275224"	805.226802	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+Cl"	34.969402
"672023"	1190.355502	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+Cl"	34.969402
"1284426"	420.098102	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Cl"	34.969402
"24798"	807.206006	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M-2H+K"	36.948606
"463265"	1192.334706	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M-2H+K"	36.948606
"839974"	422.077306	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-2H+K"	36.948606
"1569297"	422.077306	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+K-2H"	36.948606
"953169"	430.126894	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-H+HCOOH"	44.998194
"375762"	815.255601	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+HCOOH-H"	44.998201
"357093"	829.271251	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+Hac-H"	59.013851
"1503373"	444.142551	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Hac-H"	59.013851
"972008"	452.108851	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-H+NaCOOH"	66.980151
"119093"	420.098102	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+2Cl"	69.938804
"557193"	612.662452	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+2Cl"	69.938804
"1029273"	227.533752	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2Cl"	69.938804
"1248852"	464.047585	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Br"	78.918885
"1308020"	466.103572	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Cl+HCOOH"	80.974872
"1323329"	488.085529	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Cl+NaCOOH"	102.956829
"917668"	498.114286	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M-H+CF3COOH"	112.985586
"1294376"	534.090964	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Cl+CF3COOH"	148.962264
"1371448"	350.116024	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H-2H2O"	-35.012676
"1390039"	368.126	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H-H2O"	-17.0027
"286450"	771.264676	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+H"	1.007276
"679964"	1156.393376	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+H"	1.007276
"1355217"	386.135976	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H"	1.007276
"127013"	386.135976	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+2H"	2.014552
"565959"	578.700326	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+2H"	2.014552
"1037085"	193.571626	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2H"	2.014552
"205577"	257.759742666667	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+3H"	3.021828
"644445"	386.135976	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+3H"	3.021828
"1162798"	129.383509333333	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+3H"	3.021828
"424716"	788.291223	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+NH4"	18.033823
"795075"	1173.419923	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+NH4"	18.033823
"1691407"	403.162523	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+NH4"	18.033823
"339686"	394.6492495	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+H+NH4"	19.041099
"727001"	587.2135995	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+H+NH4"	19.041099
"1482279"	202.0848995	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H+NH4"	19.041099
"396585"	793.246618	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+Na"	22.989218
"760133"	1178.375318	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+Na"	22.989218
"1610418"	408.117918	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Na"	22.989218
"317903"	397.126947	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+H+Na"	23.996494
"711053"	589.691297	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+H+Na"	23.996494
"1467790"	204.562597	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H+Na"	23.996494
"1063224"	136.710823333333	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2H+Na"	25.00377
"1264901"	418.162186	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+CH3OH+H"	33.033486
"388946"	809.220558	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+K"	38.963158
"747753"	1194.349258	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+K"	38.963158
"1555276"	424.091858	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+K"	38.963158
"311357"	405.113917	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+H+K"	39.970434
"703778"	597.678267	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+H+K"	39.970434
"1455413"	212.549567	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H+K"	39.970434
"244018"	812.291226	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+ACN+H"	42.033826
"1213447"	427.162526	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+ACN+H"	42.033826
"1194328"	214.084901	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+ACN+2H"	43.041102
"188818"	815.22856	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+2Na-H"	44.97116
"628865"	1200.35726	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+2Na-H"	44.97116
"1131761"	430.09986	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2Na-H"	44.97116
"172968"	408.117918	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+2Na"	45.978436
"615024"	600.682268	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+2Na"	45.978436
"1118166"	215.553568	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2Na"	45.978436
"1412144"	144.038137333333	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H+2Na"	46.985712
"1437453"	432.141446	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H+HCOOH"	47.012746
"220098"	413.15094	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+3H2O+2H"	56.04448
"1510105"	446.19349	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+IsoProp+H"	61.06479
"411980"	416.104888	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+Na+K"	61.952376
"779175"	608.669238	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+Na+K"	61.952376
"1679761"	223.540538	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Na+K"	61.952376
"265309"	834.273168	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+ACN+Na"	64.015768
"1232554"	449.144468	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+ACN+Na"	64.015768
"1716338"	449.167993	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+NH4+HCOOH"	64.039293
"1183880"	151.365451333333	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+3Na"	68.967654
"1652314"	454.123388	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Na+HCOOH"	68.994688
"159537"	847.17644	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+2K-H"	76.91904
"599829"	1232.30514	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+2K-H"	76.91904
"1086891"	462.04774	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2K-H"	76.91904
"144437"	424.091858	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"2M+2K"	77.926316
"587276"	616.656208	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"3M+2K"	77.926316
"1071789"	231.527508	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2K"	77.926316
"1103903"	464.062292	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2K+H"	78.933592
"1340292"	464.149907	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+DMSO+H"	79.021207
"1008824"	468.189076	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2ACN+H"	83.060376
"1528047"	469.182708	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+IsoProp+Na+H"	84.054008
"993402"	234.598176	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+2ACN+2H"	84.067652
"1593374"	470.097328	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+K+HCOOH"	84.968628
"1419034"	500.128838	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+H+CF3COOH"	115.000138
"1159165"	255.111451	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+3ACN+2H"	125.094202
"1707623"	517.155385	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+NH4+CF3COOH"	132.026685
"1641084"	522.11078	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+Na+CF3COOH"	136.98208
"1572362"	538.08472	"C15550"	"Anthocyanin 3-O-beta-D-glucoside"	"C21H21O7"	"385.1287"	"M+K+CF3COOH"	152.95602
"816592"	373.0805	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M"	0
"988300"	354.06211	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-H2O-H"	-19.01839
"67796"	247.713057333333	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M-3H"	-3.021828
"508448"	372.073224	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M-3H"	-3.021828
"886250"	123.352890666667	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-3H"	-3.021828
"10291"	372.073224	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M-2H"	-2.014552
"450943"	558.613474	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M-2H"	-2.014552
"824373"	185.532974	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-2H"	-2.014552
"90562"	745.153724	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M-H"	-1.007276
"527207"	1118.234224	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M-H"	-1.007276
"903916"	372.073224	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-H"	-1.007276
"58291"	762.180271	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M-2H+NH4"	16.019271
"496758"	1135.260771	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M-2H+NH4"	16.019271
"874564"	389.099771	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-2H+NH4"	16.019271
"33717"	767.135666	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M-2H+Na"	20.974666
"475463"	1140.216166	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M-2H+Na"	20.974666
"854359"	394.055166	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-2H+Na"	20.974666
"1619884"	394.055166	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Na-2H"	20.974666
"98235"	390.061563	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M-H+Cl"	33.962126
"542170"	576.601813	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M-H+Cl"	33.962126
"934589"	203.521313	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-H+Cl"	33.962126
"273147"	781.130402	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+Cl"	34.969402
"671039"	1154.210902	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+Cl"	34.969402
"1281256"	408.049902	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Cl"	34.969402
"24910"	783.109606	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M-2H+K"	36.948606
"467387"	1156.190106	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M-2H+K"	36.948606
"840086"	410.029106	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-2H+K"	36.948606
"1570139"	410.029106	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+K-2H"	36.948606
"955467"	418.078694	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-H+HCOOH"	44.998194
"372956"	791.159201	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+HCOOH-H"	44.998201
"355744"	805.174851	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+Hac-H"	59.013851
"1501294"	432.094351	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Hac-H"	59.013851
"966649"	440.060651	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-H+NaCOOH"	66.980151
"118836"	408.049902	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+2Cl"	69.938804
"559490"	594.590152	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+2Cl"	69.938804
"1029383"	221.509652	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2Cl"	69.938804
"1248962"	451.999385	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Br"	78.918885
"1308130"	454.055372	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Cl+HCOOH"	80.974872
"1326720"	476.037329	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Cl+NaCOOH"	102.956829
"916686"	486.066086	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M-H+CF3COOH"	112.985586
"1294487"	522.042764	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Cl+CF3COOH"	148.962264
"1370465"	338.067824	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H-2H2O"	-35.012676
"1390149"	356.0778	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H-H2O"	-17.0027
"287653"	747.168276	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+H"	1.007276
"680074"	1120.248776	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+H"	1.007276
"1353142"	374.087776	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H"	1.007276
"126758"	374.087776	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+2H"	2.014552
"566025"	560.628026	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+2H"	2.014552
"1037787"	187.547526	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2H"	2.014552
"204589"	249.727609333333	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+3H"	3.021828
"644507"	374.087776	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+3H"	3.021828
"1163489"	125.367442666667	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+3H"	3.021828
"424705"	764.194823	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+NH4"	18.033823
"796280"	1137.275323	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+NH4"	18.033823
"1691517"	391.114323	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+NH4"	18.033823
"339794"	382.6010495	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+H+NH4"	19.041099
"726017"	569.1412995	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+H+NH4"	19.041099
"1482389"	196.0607995	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H+NH4"	19.041099
"397424"	769.150218	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+Na"	22.989218
"758783"	1142.230718	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+Na"	22.989218
"1605789"	396.069718	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Na"	22.989218
"319472"	385.078747	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+H+Na"	23.996494
"710799"	571.618997	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+H+Na"	23.996494
"1470087"	198.538497	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H+Na"	23.996494
"1058961"	132.694756666667	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2H+Na"	25.00377
"1265011"	406.113986	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+CH3OH+H"	33.033486
"389056"	785.124158	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+K"	38.963158
"746770"	1158.204658	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+K"	38.963158
"1554293"	412.043658	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+K"	38.963158
"311468"	393.065717	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+H+K"	39.970434
"704983"	579.605967	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+H+K"	39.970434
"1455523"	206.525467	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H+K"	39.970434
"241939"	788.194826	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+ACN+H"	42.033826
"1212463"	415.114326	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+ACN+H"	42.033826
"1194225"	208.060801	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+ACN+2H"	43.041102
"188670"	791.13216	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+2Na-H"	44.97116
"628644"	1164.21266	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+2Na-H"	44.97116
"1132646"	418.05166	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2Na-H"	44.97116
"172856"	396.069718	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+2Na"	45.978436
"613033"	582.609968	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+2Na"	45.978436
"1118276"	209.529468	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2Na"	45.978436
"1400583"	140.022070666667	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H+2Na"	46.985712
"1434647"	420.093246	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H+HCOOH"	47.012746
"222519"	401.10274	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+3H2O+2H"	56.04448
"1511674"	434.14529	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+IsoProp+H"	61.06479
"415006"	404.056688	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+Na+K"	61.952376
"782203"	590.596938	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+Na+K"	61.952376
"1679871"	217.516438	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Na+K"	61.952376
"261773"	810.176768	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+ACN+Na"	64.015768
"1237038"	437.096268	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+ACN+Na"	64.015768
"1722645"	437.119793	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+NH4+HCOOH"	64.039293
"1189094"	147.349384666667	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+3Na"	68.967654
"1657892"	442.075188	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Na+HCOOH"	68.994688
"160744"	823.08004	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+2K-H"	76.91904
"601399"	1196.16054	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+2K-H"	76.91904
"1087732"	449.99954	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2K-H"	76.91904
"142725"	412.043658	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"2M+2K"	77.926316
"582650"	598.583908	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"3M+2K"	77.926316
"1070809"	225.503408	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2K"	77.926316
"1106199"	452.014092	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2K+H"	78.933592
"1339310"	452.101707	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+DMSO+H"	79.021207
"1007841"	456.140876	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2ACN+H"	83.060376
"1525971"	457.134508	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+IsoProp+Na+H"	84.054008
"997887"	228.574076	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+2ACN+2H"	84.067652
"1596765"	458.049128	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+K+HCOOH"	84.968628
"1422425"	488.080638	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+H+CF3COOH"	115.000138
"1161461"	249.087351	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+3ACN+2H"	125.094202
"1708826"	505.107185	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+NH4+CF3COOH"	132.026685
"1642289"	510.06258	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+Na+CF3COOH"	136.98208
"1581220"	526.03652	"C15551"	"CV 2961;S 8308"	"C16H17ClN3O4Na"	"373.0805"	"M+K+CF3COOH"	152.95602
"813779"	480.2161	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M"	0
"987315"	461.19771	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-H2O-H"	-19.01839
"73371"	319.136790666667	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M-3H"	-3.021828
"508557"	479.208824	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M-3H"	-3.021828
"883080"	159.064757333333	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-3H"	-3.021828
"3841"	479.208824	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M-2H"	-2.014552
"447773"	719.316874	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M-2H"	-2.014552
"825576"	239.100774	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-2H"	-2.014552
"89944"	959.424924	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M-H"	-1.007276
"527317"	1439.641024	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M-H"	-1.007276
"902933"	479.208824	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-H"	-1.007276
"49653"	976.451471	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M-2H+NH4"	16.019271
"496868"	1456.667571	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M-2H+NH4"	16.019271
"874673"	496.235371	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-2H+NH4"	16.019271
"42575"	981.406866	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M-2H+Na"	20.974666
"474480"	1461.622966	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M-2H+Na"	20.974666
"854468"	501.190766	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-2H+Na"	20.974666
"1626190"	501.190766	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Na-2H"	20.974666
"98709"	497.197163	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M-H+Cl"	33.962126
"541187"	737.305213	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M-H+Cl"	33.962126
"932513"	257.089113	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-H+Cl"	33.962126
"273257"	995.401602	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+Cl"	34.969402
"671149"	1475.617702	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+Cl"	34.969402
"1281366"	515.185502	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Cl"	34.969402
"20646"	997.380806	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M-2H+K"	36.948606
"465673"	1477.596906	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M-2H+K"	36.948606
"840196"	517.164706	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-2H+K"	36.948606
"1568062"	517.164706	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+K-2H"	36.948606
"954120"	525.214294	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-H+HCOOH"	44.998194
"373067"	1005.430401	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+HCOOH-H"	44.998201
"353667"	1019.446051	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+Hac-H"	59.013851
"1501404"	539.229951	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Hac-H"	59.013851
"966758"	547.196251	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-H+NaCOOH"	66.980151
"114572"	515.185502	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+2Cl"	69.938804
"557413"	755.293552	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+2Cl"	69.938804
"1027306"	275.077452	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2Cl"	69.938804
"1242876"	559.134985	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Br"	78.918885
"1308240"	561.190972	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Cl+HCOOH"	80.974872
"1327924"	583.172929	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Cl+NaCOOH"	102.956829
"915702"	593.201686	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M-H+CF3COOH"	112.985586
"1291317"	629.178364	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Cl+CF3COOH"	148.962264
"1372761"	445.203424	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H-2H2O"	-35.012676
"1392445"	463.2134	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H-H2O"	-17.0027
"287763"	961.439476	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+H"	1.007276
"677997"	1441.655576	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+H"	1.007276
"1355438"	481.223376	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H"	1.007276
"126382"	481.223376	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+2H"	2.014552
"567032"	721.331426	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+2H"	2.014552
"1039235"	241.115326	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2H"	2.014552
"206161"	321.151342666667	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+3H"	3.021828
"644867"	481.223376	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+3H"	3.021828
"1163072"	161.079309333333	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+3H"	3.021828
"426638"	978.466023	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+NH4"	18.033823
"797484"	1458.682123	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+NH4"	18.033823
"1691627"	498.249923	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+NH4"	18.033823
"339904"	489.7366495	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+H+NH4"	19.041099
"728314"	729.8446995	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+H+NH4"	19.041099
"1483228"	249.6285995	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H+NH4"	19.041099
"400814"	983.421418	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+Na"	22.989218
"759987"	1463.637518	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+Na"	22.989218
"1608451"	503.205318	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Na"	22.989218
"325049"	492.214347	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+H+Na"	23.996494
"712003"	732.322397	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+H+Na"	23.996494
"1473477"	252.106297	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H+Na"	23.996494
"1063445"	168.406623333333	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2H+Na"	25.00377
"1264027"	513.249586	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+CH3OH+H"	33.033486
"389166"	999.395358	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+K"	38.963158
"746880"	1479.611458	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+K"	38.963158
"1554772"	519.179258	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+K"	38.963158
"310485"	500.201317	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+H+K"	39.970434
"705093"	740.309367	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+H+K"	39.970434
"1457822"	260.093267	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H+K"	39.970434
"239862"	1002.466026	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+ACN+H"	42.033826
"1212573"	522.249926	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+ACN+H"	42.033826
"1195363"	261.628601	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+ACN+2H"	43.041102
"188638"	1005.40336	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+2Na-H"	44.97116
"628536"	1485.61946	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+2Na-H"	44.97116
"1132514"	525.18726	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2Na-H"	44.97116
"172901"	503.205318	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+2Na"	45.978436
"612927"	743.313368	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+2Na"	45.978436
"1117657"	263.097268	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2Na"	45.978436
"1399721"	175.733937333333	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H+2Na"	46.985712
"1435850"	527.228846	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H+HCOOH"	47.012746
"222265"	508.23834	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+3H2O+2H"	56.04448
"1511420"	541.28089	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+IsoProp+H"	61.06479
"412200"	511.192288	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+Na+K"	61.952376
"781584"	751.300338	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+Na+K"	61.952376
"1679739"	271.084238	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Na+K"	61.952376
"260061"	1024.447968	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+ACN+Na"	64.015768
"1230587"	544.231868	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+ACN+Na"	64.015768
"1719474"	544.255393	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+NH4+HCOOH"	64.039293
"1184100"	183.061251333333	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+3Na"	68.967654
"1656179"	549.210788	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Na+HCOOH"	68.994688
"158667"	1037.35124	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+2K-H"	76.91904
"598592"	1517.56734	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+2K-H"	76.91904
"1085652"	557.13514	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2K-H"	76.91904
"142472"	519.179258	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"2M+2K"	77.926316
"582880"	759.287308	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"3M+2K"	77.926316
"1070918"	279.071208	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2K"	77.926316
"1103031"	559.149692	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2K+H"	78.933592
"1337234"	559.237307	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+DMSO+H"	79.021207
"1006857"	563.276476	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2ACN+H"	83.060376
"1526081"	564.270108	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+IsoProp+Na+H"	84.054008
"995810"	282.141876	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+2ACN+2H"	84.067652
"1593595"	565.184728	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+K+HCOOH"	84.968628
"1422535"	595.216238	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+H+CF3COOH"	115.000138
"1158291"	302.655151	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+3ACN+2H"	125.094202
"1705656"	612.242785	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+NH4+CF3COOH"	132.026685
"1640212"	617.19818	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+Na+CF3COOH"	136.98208
"1578050"	633.17212	"C15552"	"PD 123177"	"C29H28N4O3"	"480.2161"	"M+K+CF3COOH"	152.95602
"814982"	508.2474	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M"	0
"989766"	489.22901	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-H2O-H"	-19.01839
"74576"	337.824324	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M-3H"	-3.021828
"517415"	507.240124	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M-3H"	-3.021828
"895098"	168.408524	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-3H"	-3.021828
"15378"	507.240124	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M-2H"	-2.014552
"452258"	761.363824	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M-2H"	-2.014552
"828967"	253.116424	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-2H"	-2.014552
"92240"	1015.487524	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M-H"	-1.007276
"528522"	1523.734924	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M-H"	-1.007276
"903043"	507.240124	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-H"	-1.007276
"60944"	1032.514071	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M-2H+NH4"	16.019271
"494790"	1540.761471	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M-2H+NH4"	16.019271
"877333"	524.266671	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-2H+NH4"	16.019271
"43778"	1037.469466	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M-2H+Na"	20.974666
"476776"	1545.716866	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M-2H+Na"	20.974666
"853485"	529.222066	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-2H+Na"	20.974666
"1625207"	529.222066	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Na-2H"	20.974666
"102829"	525.228463	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M-H+Cl"	33.962126
"542391"	779.352163	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M-H+Cl"	33.962126
"930438"	271.104763	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-H+Cl"	33.962126
"275556"	1051.464202	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+Cl"	34.969402
"667979"	1559.711602	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+Cl"	34.969402
"1281476"	543.216802	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Cl"	34.969402
"28411"	1053.443406	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M-2H+K"	36.948606
"463597"	1561.690806	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M-2H+K"	36.948606
"843587"	545.196006	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-2H+K"	36.948606
"1567078"	545.196006	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+K-2H"	36.948606
"954960"	553.245594	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-H+HCOOH"	44.998194
"372081"	1061.493001	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+HCOOH-H"	44.998201
"353776"	1075.508651	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+Hac-H"	59.013851
"1503702"	567.261251	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Hac-H"	59.013851
"966868"	575.227551	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-H+NaCOOH"	66.980151
"117962"	543.216802	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+2Cl"	69.938804
"554242"	797.340502	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+2Cl"	69.938804
"1025592"	289.093102	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2Cl"	69.938804
"1243347"	587.166285	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Br"	78.918885
"1306890"	589.222272	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Cl+HCOOH"	80.974872
"1324753"	611.204229	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Cl+NaCOOH"	102.956829
"916905"	621.232986	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M-H+CF3COOH"	112.985586
"1299078"	657.209664	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Cl+CF3COOH"	148.962264
"1370685"	473.234724	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H-2H2O"	-35.012676
"1388182"	491.2447	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H-H2O"	-17.0027
"290060"	1017.502076	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+H"	1.007276
"678107"	1525.749476	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+H"	1.007276
"1358827"	509.254676	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H"	1.007276
"127343"	509.254676	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+2H"	2.014552
"567266"	763.378376	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+2H"	2.014552
"1038981"	255.130976	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2H"	2.014552
"205786"	339.838876	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+3H"	3.021828
"645345"	509.254676	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+3H"	3.021828
"1163833"	170.423076	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+3H"	3.021828
"426749"	1034.528623	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+NH4"	18.033823
"798687"	1542.776023	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+NH4"	18.033823
"1691738"	526.281223	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+NH4"	18.033823
"341109"	517.7679495	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+H+NH4"	19.041099
"730246"	771.8916495	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+H+NH4"	19.041099
"1484067"	263.6442495	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H+NH4"	19.041099
"402747"	1039.484018	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+Na"	22.989218
"761555"	1547.731418	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+Na"	22.989218
"1610748"	531.236618	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Na"	22.989218
"318597"	520.245647	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+H+Na"	23.996494
"713205"	774.369347	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+H+Na"	23.996494
"1470307"	266.121947	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H+Na"	23.996494
"1062459"	177.75039	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2H+Na"	25.00377
"1266325"	541.280886	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+CH3OH+H"	33.033486
"385994"	1055.457958	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+K"	38.963158
"748083"	1563.705358	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+K"	38.963158
"1555123"	547.210558	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+K"	38.963158
"313839"	528.232617	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+H+K"	39.970434
"705569"	782.356317	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+H+K"	39.970434
"1456474"	274.108917	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H+K"	39.970434
"247262"	1058.528626	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+ACN+H"	42.033826
"1214869"	550.281226	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+ACN+H"	42.033826
"1195837"	275.644251	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+ACN+2H"	43.041102
"189062"	1061.46596	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+2Na-H"	44.97116
"628626"	1569.71336	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+2Na-H"	44.97116
"1132989"	553.21856	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2Na-H"	44.97116
"173483"	531.236618	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+2Na"	45.978436
"613283"	785.360318	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+2Na"	45.978436
"1118496"	277.112918	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2Na"	45.978436
"1403843"	185.077704	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H+2Na"	46.985712
"1435596"	555.260146	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H+HCOOH"	47.012746
"228572"	536.26964	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+3H2O+2H"	56.04448
"1511167"	569.31219	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+IsoProp+H"	61.06479
"411946"	539.223588	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+Na+K"	61.952376
"780601"	793.347288	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+Na+K"	61.952376
"1677661"	285.099888	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Na+K"	61.952376
"259077"	1080.510568	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+ACN+Na"	64.015768
"1236165"	572.263168	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+ACN+Na"	64.015768
"1722865"	572.286693	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+NH4+HCOOH"	64.039293
"1188219"	192.405018	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+3Na"	68.967654
"1658111"	577.242088	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Na+HCOOH"	68.994688
"161329"	1093.41384	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+2K-H"	76.91904
"603077"	1601.66124	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+2K-H"	76.91904
"1086859"	585.16644	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2K-H"	76.91904
"145135"	547.210558	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"2M+2K"	77.926316
"581576"	801.334258	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"3M+2K"	77.926316
"1072123"	293.086858	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2K"	77.926316
"1103141"	587.180992	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2K+H"	78.933592
"1336615"	587.268607	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+DMSO+H"	79.021207
"1008063"	591.307776	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2ACN+H"	83.060376
"1529472"	592.301408	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+IsoProp+Na+H"	84.054008
"1002118"	296.157526	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+2ACN+2H"	84.067652
"1599173"	593.216028	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+K+HCOOH"	84.968628
"1424833"	623.247538	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+H+CF3COOH"	115.000138
"1160954"	316.670801	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+3ACN+2H"	125.094202
"1711234"	640.274085	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+NH4+CF3COOH"	132.026685
"1641415"	645.22948	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+Na+CF3COOH"	136.98208
"1578160"	661.20342	"C15553"	"PD 123319"	"C31H32N4O3"	"508.2474"	"M+K+CF3COOH"	152.95602
"808530"	436.1415	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M"	0
"988994"	417.12311	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-H2O-H"	-19.01839
"77600"	289.753724	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M-3H"	-3.021828
"514243"	435.134224	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M-3H"	-3.021828
"889860"	144.373224	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-3H"	-3.021828
"14268"	435.134224	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M-2H"	-2.014552
"444714"	653.204974	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M-2H"	-2.014552
"827619"	217.063474	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-2H"	-2.014552
"89069"	871.275724	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M-H"	-1.007276
"529361"	1307.417224	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M-H"	-1.007276
"903153"	435.134224	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-H"	-1.007276
"58988"	888.302271	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M-2H+NH4"	16.019271
"497454"	1324.443771	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M-2H+NH4"	16.019271
"877443"	452.160771	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-2H+NH4"	16.019271
"44617"	893.257666	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M-2H+Na"	20.974666
"476886"	1329.399166	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M-2H+Na"	20.974666
"855782"	457.116166	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-2H+Na"	20.974666
"1620944"	457.116166	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Na-2H"	20.974666
"97837"	453.122563	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M-H+Cl"	33.962126
"539219"	671.193313	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M-H+Cl"	33.962126
"931641"	235.051813	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-H+Cl"	33.962126
"275666"	907.252402	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+Cl"	34.969402
"669182"	1343.393902	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+Cl"	34.969402
"1281586"	471.110902	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Cl"	34.969402
"25241"	909.231606	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M-2H+K"	36.948606
"461520"	1345.373106	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M-2H+K"	36.948606
"843697"	473.090106	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-2H+K"	36.948606
"1567553"	473.090106	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+K-2H"	36.948606
"954704"	481.139694	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-H+HCOOH"	44.998194
"368910"	917.281201	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+HCOOH-H"	44.998201
"348417"	931.296851	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+Hac-H"	59.013851
"1500532"	495.155351	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Hac-H"	59.013851
"962603"	503.121651	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-H+NaCOOH"	66.980151
"114791"	471.110902	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+2Cl"	69.938804
"557627"	689.181652	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+2Cl"	69.938804
"1025336"	253.040152	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2Cl"	69.938804
"1246006"	515.060385	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Br"	78.918885
"1311734"	517.116372	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Cl+HCOOH"	80.974872
"1325950"	539.098329	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Cl+NaCOOH"	102.956829
"913731"	549.127086	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M-H+CF3COOH"	112.985586
"1291898"	585.103764	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Cl+CF3COOH"	148.962264
"1369702"	401.128824	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H-2H2O"	-35.012676
"1388293"	419.1388	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H-H2O"	-17.0027
"283730"	873.290276	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+H"	1.007276
"678217"	1309.431776	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+H"	1.007276
"1355657"	437.148776	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H"	1.007276
"126724"	437.148776	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+2H"	2.014552
"568104"	655.219526	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+2H"	2.014552
"1039091"	219.078026	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2H"	2.014552
"204416"	291.768276	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+3H"	3.021828
"644364"	437.148776	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+3H"	3.021828
"1163943"	146.387776	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+3H"	3.021828
"425766"	890.316823	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+NH4"	18.033823
"798797"	1326.458323	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+NH4"	18.033823
"1692941"	454.175323	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+NH4"	18.033823
"342312"	445.6620495	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+H+NH4"	19.041099
"729263"	663.7327995	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+H+NH4"	19.041099
"1484177"	227.5912995	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H+NH4"	19.041099
"403950"	895.272218	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+Na"	22.989218
"762760"	1331.413718	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+Na"	22.989218
"1608672"	459.130718	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Na"	22.989218
"323083"	448.139747	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+H+Na"	23.996494
"713317"	666.210497	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+H+Na"	23.996494
"1472604"	230.068997	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H+Na"	23.996494
"1062569"	153.71509	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2H+Na"	25.00377
"1267529"	469.174986	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+CH3OH+H"	33.033486
"386104"	911.246158	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+K"	38.963158
"752204"	1347.387658	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+K"	38.963158
"1554624"	475.104658	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+K"	38.963158
"311801"	456.126717	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+H+K"	39.970434
"704222"	674.197467	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+H+K"	39.970434
"1455855"	238.055967	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H+K"	39.970434
"246644"	914.316826	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+ACN+H"	42.033826
"1213887"	478.175326	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+ACN+H"	42.033826
"1195092"	239.591301	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+ACN+2H"	43.041102
"189663"	917.25416	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+2Na-H"	44.97116
"628979"	1353.39566	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+2Na-H"	44.97116
"1133099"	481.11266	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2Na-H"	44.97116
"174931"	459.130718	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+2Na"	45.978436
"614369"	677.201468	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+2Na"	45.978436
"1120794"	241.059968	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2Na"	45.978436
"1403588"	161.042404	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H+2Na"	46.985712
"1440079"	483.154246	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H+HCOOH"	47.012746
"229775"	464.16374	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+3H2O+2H"	56.04448
"1512734"	497.20629	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+IsoProp+H"	61.06479
"409869"	467.117688	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+Na+K"	61.952376
"781803"	685.188438	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+Na+K"	61.952376
"1677771"	249.046938	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Na+K"	61.952376
"260280"	936.298768	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+ACN+Na"	64.015768
"1236280"	500.157268	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+ACN+Na"	64.015768
"1724069"	500.180793	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+NH4+HCOOH"	64.039293
"1190516"	168.369718	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+3Na"	68.967654
"1658221"	505.136188	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Na+HCOOH"	68.994688
"161439"	949.20204	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+2K-H"	76.91904
"601001"	1385.34354	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+2K-H"	76.91904
"1085022"	513.06054	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2K-H"	76.91904
"144882"	475.104658	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"2M+2K"	77.926316
"585536"	693.175408	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"3M+2K"	77.926316
"1068949"	257.033908	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2K"	77.926316
"1100701"	515.075092	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2K+H"	78.933592
"1335871"	515.162707	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+DMSO+H"	79.021207
"1009266"	519.201876	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2ACN+H"	83.060376
"1535780"	520.195508	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+IsoProp+Na+H"	84.054008
"1001136"	260.104576	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+2ACN+2H"	84.067652
"1600013"	521.110128	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+K+HCOOH"	84.968628
"1426038"	551.141638	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+H+CF3COOH"	115.000138
"1160700"	280.617851	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+3ACN+2H"	125.094202
"1710980"	568.168185	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+NH4+CF3COOH"	132.026685
"1640432"	573.12358	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+Na+CF3COOH"	136.98208
"1578270"	589.09752	"C15554"	"EXP 3174"	"C22H21ClN6O2"	"436.1415"	"M+K+CF3COOH"	152.95602
"816761"	400.1158	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M"	0
"989578"	381.09741	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"76981"	265.736590666667	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"508887"	399.108524	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"892159"	132.364657333333	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"11826"	399.108524	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"450292"	599.166424	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"830647"	199.050624	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"81891"	799.224324	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"528742"	1199.340124	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"907276"	399.108524	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"56544"	816.250871	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"497930"	1216.366671	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"876826"	416.135071	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"44727"	821.206266	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"486110"	1221.322066	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"860996"	421.090466	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1626521"	421.090466	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"104144"	417.096863	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"546254"	617.154763	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"930656"	217.038963	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"277963"	835.201002	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"669292"	1235.316802	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1280603"	435.085202	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"25351"	837.180206	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"461630"	1237.296006	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"843807"	437.064406	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1567298"	437.064406	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"954085"	445.113994	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"367927"	845.229801	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"351806"	859.245451	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1501735"	459.129651	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"962714"	467.095951	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"115994"	435.085202	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"554462"	635.143102	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1023384"	235.027302	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1249395"	479.034685	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1314033"	481.090672	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1324604"	503.072629	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"916032"	513.101386	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1293834"	549.078064	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1369812"	365.103124	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1389496"	383.1131	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"284083"	801.238876	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"681606"	1201.354676	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1353581"	401.123076	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"128657"	401.123076	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"567851"	601.180976	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1040294"	201.065176	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"205155"	267.751142666667	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"645687"	401.123076	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1164296"	134.379209333333	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"424903"	818.265423	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"800001"	1218.381223	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1693781"	418.149623	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"344245"	409.6363495	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"733747"	609.6942495	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1486474"	209.5784495	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"404060"	823.220818	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"762870"	1223.336618	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1614250"	423.105018	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"325380"	412.114047	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"716707"	612.171947	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1472714"	212.056147	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1065962"	141.706523333333	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1264361"	433.149286	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"382937"	839.194758	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"745026"	1239.310558	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1549267"	439.078958	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"308629"	420.101017	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"701051"	620.158917	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1449404"	220.043117	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"238006"	842.265426	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1210472"	442.149626	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1194715"	221.578451	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"188803"	845.20276	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"628847"	1245.31856	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1132599"	445.08696	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"176013"	423.105018	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"617396"	623.162918	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1125645"	223.047118	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1409167"	149.033837333333	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1441282"	447.128546	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"233166"	428.13804	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1512480"	461.18059	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"412166"	431.091988	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"781913"	631.149888	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1677151"	231.034088	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"259297"	864.247368	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1236390"	464.131568	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1724179"	464.155093	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1191719"	156.361151333333	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1661611"	469.110488	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"164101"	877.15064	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"605852"	1277.26644	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1091455"	477.03484	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"144992"	439.078958	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"585646"	639.136858	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1069548"	239.021058	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1101054"	479.049392	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1336343"	479.137007	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1010469"	483.176176	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1534798"	484.169808	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"997232"	242.091726	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1596112"	485.084428	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1418492"	515.115938	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1159352"	262.605001	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1708173"	532.142485	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1643823"	537.09788	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1581660"	553.07182	"C15555"	"Flavonol 3-O-D-glycoside;Flavonol 3-O-beta-D-glycoside"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"808750"	184.0137	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M"	0
"989899"	164.99531	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-H2O-H"	-19.01839
"75997"	121.668524	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M-3H"	-3.021828
"510090"	183.006424	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M-3H"	-3.021828
"895349"	60.330624	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-3H"	-3.021828
"11936"	183.006424	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M-2H"	-2.014552
"450402"	275.013274	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M-2H"	-2.014552
"826017"	90.999574	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-2H"	-2.014552
"88197"	367.020124	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M-H"	-1.007276
"533227"	551.033824	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M-H"	-1.007276
"910911"	183.006424	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-H"	-1.007276
"58113"	384.046671	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M-2H+NH4"	16.019271
"499133"	568.060371	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M-2H+NH4"	16.019271
"876207"	200.032971	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-2H+NH4"	16.019271
"44837"	389.002066	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M-2H+Na"	20.974666
"485491"	573.015766	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M-2H+Na"	20.974666
"862199"	204.988366	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-2H+Na"	20.974666
"1628819"	204.988366	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Na-2H"	20.974666
"102068"	200.994763	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M-H+Cl"	33.962126
"547458"	293.001613	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M-H+Cl"	33.962126
"931860"	108.987913	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-H+Cl"	33.962126
"276980"	402.996802	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+Cl"	34.969402
"669402"	587.010502	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+Cl"	34.969402
"1282899"	218.983102	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Cl"	34.969402
"22180"	404.976006	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M-2H+K"	36.948606
"461740"	588.989706	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M-2H+K"	36.948606
"842824"	220.962306	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-2H+K"	36.948606
"1561939"	220.962306	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+K-2H"	36.948606
"949821"	229.011894	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-H+HCOOH"	44.998194
"364757"	413.025601	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+HCOOH-H"	44.998201
"348637"	427.041251	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+Hac-H"	59.013851
"1493583"	243.027551	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Hac-H"	59.013851
"960636"	250.993851	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-H+NaCOOH"	66.980151
"115011"	218.983102	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+2Cl"	69.938804
"552384"	310.989952	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+2Cl"	69.938804
"1021669"	126.976252	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2Cl"	69.938804
"1245497"	262.932585	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Br"	78.918885
"1308676"	264.988572	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Cl+HCOOH"	80.974872
"1322527"	286.970529	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Cl+NaCOOH"	102.956829
"915046"	296.999286	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M-H+CF3COOH"	112.985586
"1291026"	332.975964	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Cl+CF3COOH"	148.962264
"1370286"	149.001024	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H-2H2O"	-35.012676
"1389606"	167.011	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H-H2O"	-17.0027
"284193"	369.034676	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+H"	1.007276
"681716"	553.048376	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+H"	1.007276
"1354784"	185.020976	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H"	1.007276
"129860"	185.020976	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+2H"	2.014552
"568325"	277.027826	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+2H"	2.014552
"1038582"	93.014126	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2H"	2.014552
"204536"	123.683076	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+3H"	3.021828
"645310"	185.020976	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+3H"	3.021828
"1163435"	62.345176	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+3H"	3.021828
"424889"	386.061223	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+NH4"	18.033823
"799746"	570.074923	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+NH4"	18.033823
"1695348"	202.047523	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+NH4"	18.033823
"343625"	193.5342495	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+H+NH4"	19.041099
"733857"	285.5410995	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+H+NH4"	19.041099
"1484397"	101.5273995	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H+NH4"	19.041099
"401983"	391.016618	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+Na"	22.989218
"762980"	575.030318	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+Na"	22.989218
"1614360"	207.002918	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Na"	22.989218
"323303"	196.011947	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+H+Na"	23.996494
"716817"	288.018797	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+H+Na"	23.996494
"1472824"	104.005097	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H+Na"	23.996494
"1063886"	69.67249	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2H+Na"	25.00377
"1269938"	217.047186	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+CH3OH+H"	33.033486
"385233"	406.990558	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+K"	38.963158
"745138"	591.004258	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+K"	38.963158
"1546098"	222.976858	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+K"	38.963158
"305460"	203.998917	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+H+K"	39.970434
"698976"	296.005767	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+H+K"	39.970434
"1453887"	111.992067	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H+K"	39.970434
"238115"	410.061226	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+ACN+H"	42.033826
"1212282"	226.047526	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+ACN+H"	42.033826
"1194191"	113.527401	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+ACN+2H"	43.041102
"189400"	412.99856	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+2Na-H"	44.97116
"628958"	597.01226	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+2Na-H"	44.97116
"1132466"	228.98486	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2Na-H"	44.97116
"173325"	207.002918	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+2Na"	45.978436
"613250"	299.009768	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+2Na"	45.978436
"1123566"	114.996068	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2Na"	45.978436
"1409277"	76.999804	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H+2Na"	46.985712
"1438112"	231.026446	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H+HCOOH"	47.012746
"221242"	212.03594	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+3H2O+2H"	56.04448
"1510400"	245.07849	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+IsoProp+H"	61.06479
"413004"	214.989888	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+Na+K"	61.952376
"782388"	306.996738	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+Na+K"	61.952376
"1677261"	122.983038	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Na+K"	61.952376
"260500"	432.043168	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+ACN+Na"	64.015768
"1235405"	248.029468	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+ACN+Na"	64.015768
"1723195"	248.052993	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+NH4+HCOOH"	64.039293
"1191829"	84.327118	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+3Na"	68.967654
"1658441"	253.008388	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Na+HCOOH"	68.994688
"164211"	444.94644	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+2K-H"	76.91904
"606691"	628.96014	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+2K-H"	76.91904
"1091565"	260.93274	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2K-H"	76.91904
"143276"	222.976858	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"2M+2K"	77.926316
"587943"	314.983708	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"3M+2K"	77.926316
"1074641"	130.970008	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2K"	77.926316
"1101044"	262.947292	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2K+H"	78.933592
"1337675"	263.034907	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+DMSO+H"	79.021207
"1010579"	267.074076	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2ACN+H"	83.060376
"1533085"	268.067708	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+IsoProp+Na+H"	84.054008
"995156"	134.040676	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+2ACN+2H"	84.067652
"1596222"	268.982328	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+K+HCOOH"	84.968628
"1419695"	299.013838	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+H+CF3COOH"	115.000138
"1155451"	154.553951	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+3ACN+2H"	125.094202
"1708283"	316.040385	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+NH4+CF3COOH"	132.026685
"1643933"	320.99578	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+Na+CF3COOH"	136.98208
"1581770"	336.96972	"C15556"	"L-34-Dihydroxybutan-2-one 4-phosphate;1-Deoxy-L-glycero-tetrulose 4-phosphate;2-Hydroxy-3-oxobutyl phosphate"	"C4H9O6P"	"184.0137"	"M+K+CF3COOH"	152.95602
"813234"	433.3192	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M"	0
"988596"	414.30081	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-H2O-H"	-19.01839
"77082"	287.872190666667	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M-3H"	-3.021828
"509107"	432.311924	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M-3H"	-3.021828
"894567"	143.432457333333	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-3H"	-3.021828
"14234"	432.311924	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M-2H"	-2.014552
"450512"	648.971524	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M-2H"	-2.014552
"826127"	215.652324	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-2H"	-2.014552
"88307"	865.631124	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M-H"	-1.007276
"533217"	1298.950324	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M-H"	-1.007276
"908589"	432.311924	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-H"	-1.007276
"57859"	882.657671	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M-2H+NH4"	16.019271
"500337"	1315.976871	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M-2H+NH4"	16.019271
"878138"	449.338471	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-2H+NH4"	16.019271
"45311"	887.613066	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M-2H+Na"	20.974666
"483414"	1320.932266	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M-2H+Na"	20.974666
"858299"	454.293866	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-2H+Na"	20.974666
"1630386"	454.293866	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Na-2H"	20.974666
"108373"	450.300263	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M-H+Cl"	33.962126
"546840"	666.959863	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M-H+Cl"	33.962126
"934155"	233.640663	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-H+Cl"	33.962126
"275997"	901.607802	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+Cl"	34.969402
"669512"	1334.927002	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+Cl"	34.969402
"1283009"	468.288602	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Cl"	34.969402
"23384"	903.587006	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M-2H+K"	36.948606
"460757"	1336.906206	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M-2H+K"	36.948606
"844027"	470.267806	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-2H+K"	36.948606
"1562049"	470.267806	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+K-2H"	36.948606
"948838"	478.317394	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-H+HCOOH"	44.998194
"364867"	911.636601	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+HCOOH-H"	44.998201
"349840"	925.652251	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+Hac-H"	59.013851
"1496487"	492.333051	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Hac-H"	59.013851
"960746"	500.299351	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-H+NaCOOH"	66.980151
"115121"	468.288602	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+2Cl"	69.938804
"551036"	684.948202	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+2Cl"	69.938804
"1022387"	251.629002	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2Cl"	69.938804
"1244150"	512.238085	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Br"	78.918885
"1309879"	514.294072	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Cl+HCOOH"	80.974872
"1321912"	536.276029	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Cl+NaCOOH"	102.956829
"914790"	546.304786	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M-H+CF3COOH"	112.985586
"1292959"	582.281464	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Cl+CF3COOH"	148.962264
"1368931"	398.306524	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H-2H2O"	-35.012676
"1389716"	416.3165	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H-H2O"	-17.0027
"283939"	867.645676	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+H"	1.007276
"679640"	1300.964876	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+H"	1.007276
"1352463"	434.326476	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H"	1.007276
"128877"	434.326476	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+2H"	2.014552
"566247"	650.986076	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+2H"	2.014552
"1037116"	217.666876	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2H"	2.014552
"204345"	289.886742666667	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+3H"	3.021828
"645785"	434.326476	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+3H"	3.021828
"1165003"	145.447009333333	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+3H"	3.021828
"424391"	884.672223	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+NH4"	18.033823
"800464"	1317.991423	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+NH4"	18.033823
"1694002"	451.353023	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+NH4"	18.033823
"343735"	442.8397495	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+H+NH4"	19.041099
"731780"	659.4993495	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+H+NH4"	19.041099
"1484507"	226.1801495	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H+NH4"	19.041099
"399906"	889.627618	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+Na"	22.989218
"759810"	1322.946818	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+Na"	22.989218
"1614470"	456.308418	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Na"	22.989218
"321225"	445.317447	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+H+Na"	23.996494
"716927"	661.977047	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+H+Na"	23.996494
"1470747"	228.657847	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H+Na"	23.996494
"1064360"	152.774323333333	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2H+Na"	25.00377
"1268951"	466.352686	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+CH3OH+H"	33.033486
"390081"	905.601558	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+K"	38.963158
"748523"	1338.920758	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+K"	38.963158
"1548394"	472.282358	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+K"	38.963158
"307756"	453.304417	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+H+K"	39.970434
"700179"	669.964017	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+H+K"	39.970434
"1455091"	236.644817	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H+K"	39.970434
"237861"	908.672226	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+ACN+H"	42.033826
"1211421"	475.353026	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+ACN+H"	42.033826
"1194364"	238.180151	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+ACN+2H"	43.041102
"191333"	911.60956	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+2Na-H"	44.97116
"628775"	1344.92876	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+2Na-H"	44.97116
"1132212"	478.29036	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2Na-H"	44.97116
"173150"	456.308418	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+2Na"	45.978436
"613008"	672.968018	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+2Na"	45.978436
"1119300"	239.648818	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2Na"	45.978436
"1402825"	160.101637333333	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H+2Na"	46.985712
"1432755"	480.331946	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H+HCOOH"	47.012746
"220212"	461.34144	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+3H2O+2H"	56.04448
"1511604"	494.38399	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+IsoProp+H"	61.06479
"409102"	464.295388	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+Na+K"	61.952376
"781037"	680.954988	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+Na+K"	61.952376
"1677007"	247.635788	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Na+K"	61.952376
"259516"	930.654168	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+ACN+Na"	64.015768
"1236608"	497.334968	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+ACN+Na"	64.015768
"1723306"	497.358493	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+NH4+HCOOH"	64.039293
"1191575"	167.428951333333	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+3Na"	68.967654
"1658551"	502.313888	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Na+HCOOH"	68.994688
"164319"	943.55744	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+2K-H"	76.91904
"600966"	1376.87664	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+2K-H"	76.91904
"1089488"	510.23824	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2K-H"	76.91904
"148491"	472.282358	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"2M+2K"	77.926316
"589144"	688.941958	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"3M+2K"	77.926316
"1070376"	255.622758	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2K"	77.926316
"1103585"	512.252792	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2K+H"	78.933592
"1341065"	512.340407	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+DMSO+H"	79.021207
"1012876"	516.379576	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2ACN+H"	83.060376
"1533925"	517.373208	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+IsoProp+Na+H"	84.054008
"997453"	258.693426	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+2ACN+2H"	84.067652
"1593052"	518.287828	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+K+HCOOH"	84.968628
"1419805"	548.319338	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+H+CF3COOH"	115.000138
"1155561"	279.206701	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+3ACN+2H"	125.094202
"1708393"	565.345885	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+NH4+CF3COOH"	132.026685
"1644043"	570.30128	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+Na+CF3COOH"	136.98208
"1581880"	586.27522	"C15557"	"Glycolithocholate;Glycolithocholic acid"	"C26H43NO4"	"433.3192"	"M+K+CF3COOH"	152.95602
"816269"	529.2709	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M"	0
"989678"	510.25251	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-H2O-H"	-19.01839
"77315"	351.839990666667	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M-3H"	-3.021828
"518292"	528.263624	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M-3H"	-3.021828
"894683"	175.416357333333	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-3H"	-3.021828
"14832"	528.263624	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M-2H"	-2.014552
"455589"	792.899074	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M-2H"	-2.014552
"831835"	263.628174	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-2H"	-2.014552
"94010"	1057.534524	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M-H"	-1.007276
"533943"	1586.805424	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M-H"	-1.007276
"910651"	528.263624	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-H"	-1.007276
"62472"	1074.561071	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M-2H+NH4"	16.019271
"502277"	1603.831971	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M-2H+NH4"	16.019271
"879474"	545.290171	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-2H+NH4"	16.019271
"46520"	1079.516466	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M-2H+Na"	20.974666
"486569"	1608.787366	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M-2H+Na"	20.974666
"862911"	550.245566	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-2H+Na"	20.974666
"1632687"	550.245566	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Na-2H"	20.974666
"108365"	546.251963	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M-H+Cl"	33.962126
"547193"	810.887413	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M-H+Cl"	33.962126
"940341"	281.616513	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-H+Cl"	33.962126
"275010"	1093.511202	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+Cl"	34.969402
"668533"	1622.782102	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+Cl"	34.969402
"1279845"	564.240302	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Cl"	34.969402
"23494"	1095.490406	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M-2H+K"	36.948606
"464146"	1624.761306	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M-2H+K"	36.948606
"846324"	566.219506	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-2H+K"	36.948606
"1565437"	566.219506	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+K-2H"	36.948606
"950041"	574.269094	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-H+HCOOH"	44.998194
"369349"	1103.540001	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+HCOOH-H"	44.998201
"355421"	1117.555651	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+Hac-H"	59.013851
"1504252"	588.284751	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Hac-H"	59.013851
"971792"	596.251051	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-H+NaCOOH"	66.980151
"120700"	564.240302	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+2Cl"	69.938804
"558072"	828.875752	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+2Cl"	69.938804
"1025777"	299.604852	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2Cl"	69.938804
"1247175"	608.189785	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Br"	78.918885
"1312177"	610.245772	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Cl+HCOOH"	80.974872
"1323477"	632.227729	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Cl+NaCOOH"	102.956829
"917453"	642.256486	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M-H+CF3COOH"	112.985586
"1290882"	678.233164	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Cl+CF3COOH"	148.962264
"1370506"	494.258224	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H-2H2O"	-35.012676
"1389826"	512.2682	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H-H2O"	-17.0027
"296805"	1059.549076	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+H"	1.007276
"686311"	1588.819976	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+H"	1.007276
"1359380"	530.278176	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H"	1.007276
"132267"	530.278176	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+2H"	2.014552
"568545"	794.913626	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+2H"	2.014552
"1039892"	265.642726	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2H"	2.014552
"208525"	353.854542666667	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+3H"	3.021828
"647355"	530.278176	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+3H"	3.021828
"1168403"	177.430909333333	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+3H"	3.021828
"438728"	1076.575623	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+NH4"	18.033823
"799235"	1605.846523	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+NH4"	18.033823
"1695568"	547.304723	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+NH4"	18.033823
"342752"	538.7914495	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+H+NH4"	19.041099
"737606"	803.4268995	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+H+NH4"	19.041099
"1491788"	274.1559995	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H+NH4"	19.041099
"404393"	1081.531018	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+Na"	22.989218
"765387"	1610.801918	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+Na"	22.989218
"1612392"	552.260118	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Na"	22.989218
"328629"	541.269147	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+H+Na"	23.996494
"720686"	805.904597	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+H+Na"	23.996494
"1476576"	276.633697	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H+Na"	23.996494
"1065928"	184.758223333333	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2H+Na"	25.00377
"1270523"	562.304386	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+CH3OH+H"	33.033486
"391649"	1097.504958	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+K"	38.963158
"752648"	1626.775858	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+K"	38.963158
"1552878"	568.234058	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+K"	38.963158
"310420"	549.256117	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+H+K"	39.970434
"704300"	813.891567	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+H+K"	39.970434
"1457753"	284.620667	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H+K"	39.970434
"244898"	1100.575626	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+ACN+H"	42.033826
"1215420"	571.304726	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+ACN+H"	42.033826
"1198210"	286.156001	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+ACN+2H"	43.041102
"192171"	1103.51296	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+2Na-H"	44.97116
"632097"	1632.78386	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+2Na-H"	44.97116
"1132198"	574.24206	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2Na-H"	44.97116
"176340"	552.260118	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+2Na"	45.978436
"614079"	816.895568	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+2Na"	45.978436
"1116199"	287.624668	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2Na"	45.978436
"1399041"	192.085537333333	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H+2Na"	46.985712
"1436145"	576.283646	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H+HCOOH"	47.012746
"223655"	557.29314	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+3H2O+2H"	56.04448
"1509891"	590.33569	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+IsoProp+H"	61.06479
"421247"	560.247088	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+Na+K"	61.952376
"782615"	824.882538	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+Na+K"	61.952376
"1677851"	295.611638	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Na+K"	61.952376
"259631"	1122.557568	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+ACN+Na"	64.015768
"1235259"	593.286668	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+ACN+Na"	64.015768
"1720503"	593.310193	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+NH4+HCOOH"	64.039293
"1185491"	199.412851333333	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+3Na"	68.967654
"1657569"	598.265588	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Na+HCOOH"	68.994688
"160420"	1135.46084	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+2K-H"	76.91904
"603992"	1664.73174	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+2K-H"	76.91904
"1086316"	606.18994	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2K-H"	76.91904
"142645"	568.234058	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"2M+2K"	77.926316
"583787"	832.869508	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"3M+2K"	77.926316
"1071581"	303.598608	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2K"	77.926316
"1108072"	608.204492	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2K+H"	78.933592
"1343365"	608.292107	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+DMSO+H"	79.021207
"1016638"	612.331276	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2ACN+H"	83.060376
"1526741"	613.324908	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+IsoProp+Na+H"	84.054008
"992097"	306.669276	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+2ACN+2H"	84.067652
"1590975"	614.239528	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+K+HCOOH"	84.968628
"1418821"	644.271038	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+H+CF3COOH"	115.000138
"1155671"	327.182551	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+3ACN+2H"	125.094202
"1704128"	661.297585	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+NH4+CF3COOH"	132.026685
"1640874"	666.25298	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+Na+CF3COOH"	136.98208
"1575430"	682.22692	"C15559"	"Glycochenodeoxycholate 7-sulfate"	"C26H43NO8S"	"529.2709"	"M+K+CF3COOH"	152.95602
"814551"	1141.3973	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M"	0
"989185"	1122.37891	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H2O-H"	-19.01839
"77420"	759.924257333333	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-3H"	-3.021828
"516617"	1140.390024	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-3H"	-3.021828
"895357"	379.458490666667	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-3H"	-3.021828
"12995"	1140.390024	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H"	-2.014552
"450731"	1711.088674	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H"	-2.014552
"832183"	569.691374	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H"	-2.014552
"93276"	2281.787324	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-H"	-1.007276
"532589"	3423.184624	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-H"	-1.007276
"909913"	1140.390024	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H"	-1.007276
"61249"	2298.813871	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+NH4"	16.019271
"502148"	3440.211171	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+NH4"	16.019271
"878248"	1157.416571	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+NH4"	16.019271
"46028"	2303.769266	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+Na"	20.974666
"485829"	3445.166566	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+Na"	20.974666
"863388"	1162.371966	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+Na"	20.974666
"1633043"	1162.371966	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na-2H"	20.974666
"108234"	1158.378363	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-H+Cl"	33.962126
"548405"	1729.077013	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-H+Cl"	33.962126
"941424"	587.679713	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+Cl"	33.962126
"277308"	2317.764002	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Cl"	34.969402
"669737"	3459.161302	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Cl"	34.969402
"1285422"	1176.366702	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl"	34.969402
"27978"	2319.743206	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+K"	36.948606
"464256"	3461.140506	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+K"	36.948606
"846070"	1178.345906	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+K"	36.948606
"1564454"	1178.345906	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K-2H"	36.948606
"953431"	1186.395494	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+HCOOH"	44.998194
"369459"	2327.792801	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+HCOOH-H"	44.998201
"356625"	2341.808451	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Hac-H"	59.013851
"1506185"	1200.411151	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Hac-H"	59.013851
"970810"	1208.377451	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+NaCOOH"	66.980151
"122997"	1176.366702	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Cl"	69.938804
"554903"	1747.065352	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Cl"	69.938804
"1026981"	605.668052	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Cl"	69.938804
"1246559"	1220.316185	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Br"	78.918885
"1315567"	1222.372172	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+HCOOH"	80.974872
"1325412"	1244.354129	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+NaCOOH"	102.956829
"915741"	1254.382886	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+CF3COOH"	112.985586
"1292451"	1290.359564	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+CF3COOH"	148.962264
"1370616"	1106.384624	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H-2H2O"	-35.012676
"1389936"	1124.3946	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H-H2O"	-17.0027
"296186"	2283.801876	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H"	1.007276
"686421"	3425.199176	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H"	1.007276
"1359490"	1142.404576	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H"	1.007276
"132377"	1142.404576	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2H"	2.014552
"569750"	1713.103226	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2H"	2.014552
"1040370"	571.705926	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2H"	2.014552
"208635"	761.938809333333	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+3H"	3.021828
"650382"	1142.404576	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+3H"	3.021828
"1167784"	381.473042666667	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3H"	3.021828
"435072"	2300.828423	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+NH4"	18.033823
"794972"	3442.225723	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+NH4"	18.033823
"1692399"	1159.431123	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4"	18.033823
"341770"	1150.9178495	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+NH4"	19.041099
"734921"	1721.6164995	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+NH4"	19.041099
"1491292"	580.2191995	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+NH4"	19.041099
"404506"	2305.783818	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Na"	22.989218
"766591"	3447.181118	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Na"	22.989218
"1613598"	1164.386518	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na"	22.989218
"324730"	1153.395547	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+Na"	23.996494
"716057"	1724.094197	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+Na"	23.996494
"1474251"	582.696897	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+Na"	23.996494
"1063122"	388.800356666667	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2H+Na"	25.00377
"1269173"	1174.430786	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+CH3OH+H"	33.033486
"389573"	2321.757758	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+K"	38.963158
"753122"	3463.155058	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+K"	38.963158
"1550799"	1180.360458	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K"	38.963158
"307979"	1161.382517	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+K"	39.970434
"704775"	1732.081167	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+K"	39.970434
"1453128"	590.683867	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+K"	39.970434
"240635"	2324.828426	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+ACN+H"	42.033826
"1214800"	1183.431126	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+H"	42.033826
"1200139"	592.219201	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+2H"	43.041102
"195927"	2327.76576	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Na-H"	44.97116
"630140"	3469.16306	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Na-H"	44.97116
"1133524"	1186.36846	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Na-H"	44.97116
"176449"	1164.386518	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Na"	45.978436
"614671"	1735.085168	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Na"	45.978436
"1116476"	593.687868	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Na"	45.978436
"1401584"	396.127670666667	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+2Na"	46.985712
"1436256"	1188.410046	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+HCOOH"	47.012746
"224128"	1169.41954	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+3H2O+2H"	56.04448
"1509272"	1202.46209	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+IsoProp+H"	61.06479
"422450"	1172.373488	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Na+K"	61.952376
"783448"	1743.072138	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Na+K"	61.952376
"1679054"	601.674838	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+K"	61.952376
"262660"	2346.810368	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+ACN+Na"	64.015768
"1234276"	1205.413068	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+Na"	64.015768
"1720612"	1205.436593	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4+HCOOH"	64.039293
"1186331"	403.454984666667	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3Na"	68.967654
"1657679"	1210.391988	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+HCOOH"	68.994688
"164541"	2359.71364	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2K-H"	76.91904
"604102"	3501.11094	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2K-H"	76.91904
"1088614"	1218.31634	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K-H"	76.91904
"145432"	1180.360458	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2K"	77.926316
"584992"	1751.059108	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2K"	77.926316
"1070597"	609.661808	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K"	77.926316
"1105995"	1220.330892	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K+H"	78.933592
"1343475"	1220.418507	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+DMSO+H"	79.021207
"1016748"	1224.457676	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2ACN+H"	83.060376
"1529038"	1225.451308	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+IsoProp+Na+H"	84.054008
"996582"	612.732476	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2ACN+2H"	84.067652
"1599469"	1226.365928	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K+HCOOH"	84.968628
"1420025"	1256.397438	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+CF3COOH"	115.000138
"1160522"	633.245751	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3ACN+2H"	125.094202
"1706426"	1273.423985	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4+CF3COOH"	132.026685
"1640984"	1278.37938	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+CF3COOH"	136.98208
"1578821"	1294.35332	"C15560"	"Deoxycholoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K+CF3COOH"	152.95602
"809192"	135.0684	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M"	0
"984913"	116.05001	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-H2O-H"	-19.01839
"78481"	89.038324	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M-3H"	-3.021828
"516000"	134.061124	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M-3H"	-3.021828
"892344"	44.015524	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-3H"	-3.021828
"12740"	134.061124	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M-2H"	-2.014552
"455598"	201.595324	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M-2H"	-2.014552
"830104"	66.526924	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-2H"	-2.014552
"94152"	269.129524	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M-H"	-1.007276
"533548"	404.197924	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M-H"	-1.007276
"907094"	134.061124	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-H"	-1.007276
"62568"	286.156071	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M-2H+NH4"	16.019271
"501883"	421.224471	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M-2H+NH4"	16.019271
"878467"	151.087671	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-2H+NH4"	16.019271
"46576"	291.111466	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M-2H+Na"	20.974666
"486347"	426.179866	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M-2H+Na"	20.974666
"863537"	156.043066	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-2H+Na"	20.974666
"1633802"	156.043066	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Na-2H"	20.974666
"109515"	152.049463	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M-H+Cl"	33.962126
"547532"	219.583663	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M-H+Cl"	33.962126
"936671"	84.515263	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-H+Cl"	33.962126
"277417"	305.106202	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+Cl"	34.969402
"675275"	440.174602	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+Cl"	34.969402
"1280065"	170.037802	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Cl"	34.969402
"30643"	307.085406	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M-2H+K"	36.948606
"468743"	442.153806	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M-2H+K"	36.948606
"844357"	172.017006	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-2H+K"	36.948606
"1566752"	172.017006	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+K-2H"	36.948606
"946981"	180.066594	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-H+HCOOH"	44.998194
"367384"	315.135001	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+HCOOH-H"	44.998201
"351266"	329.150651	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+Hac-H"	59.013851
"1502284"	194.082251	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Hac-H"	59.013851
"959985"	202.048551	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-H+NaCOOH"	66.980151
"114359"	170.037802	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+2Cl"	69.938804
"558292"	237.572002	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+2Cl"	69.938804
"1028185"	102.503602	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2Cl"	69.938804
"1247765"	213.987285	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Br"	78.918885
"1308023"	216.043272	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Cl+HCOOH"	80.974872
"1327706"	238.025229	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Cl+NaCOOH"	102.956829
"917671"	248.053986	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M-H+CF3COOH"	112.985586
"1302652"	284.030664	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Cl+CF3COOH"	148.962264
"1380206"	100.055724	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H-2H2O"	-35.012676
"1395514"	118.0657	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H-H2O"	-17.0027
"293015"	271.144076	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+H"	1.007276
"686531"	406.212476	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+H"	1.007276
"1357412"	136.075676	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H"	1.007276
"132489"	136.075676	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+2H"	2.014552
"570954"	203.609876	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+2H"	2.014552
"1039749"	68.541476	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2H"	2.014552
"208742"	91.052876	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+3H"	3.021828
"646481"	136.075676	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+3H"	3.021828
"1165339"	46.030076	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+3H"	3.021828
"439682"	288.170623	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+NH4"	18.033823
"799459"	423.239023	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+NH4"	18.033823
"1690322"	153.102223	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+NH4"	18.033823
"342974"	144.5889495	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+H+NH4"	19.041099
"738312"	212.1231495	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+H+NH4"	19.041099
"1491402"	77.0547495	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H+NH4"	19.041099
"404615"	293.126018	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+Na"	22.989218
"766340"	428.194418	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+Na"	22.989218
"1612616"	158.057618	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Na"	22.989218
"327027"	147.066647	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+H+Na"	23.996494
"718355"	214.600847	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+H+Na"	23.996494
"1474361"	79.532447	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H+Na"	23.996494
"1064323"	53.35739	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2H+Na"	25.00377
"1268192"	168.101886	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+CH3OH+H"	33.033486
"387496"	309.099958	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+K"	38.963158
"753596"	444.168358	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+K"	38.963158
"1550909"	174.031558	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+K"	38.963158
"312462"	155.053617	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+H+K"	39.970434
"705249"	222.587817	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+H+K"	39.970434
"1455425"	87.519417	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H+K"	39.970434
"237463"	312.170626	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+ACN+H"	42.033826
"1213450"	177.102226	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+ACN+H"	42.033826
"1197698"	89.054751	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+ACN+2H"	43.041102
"190569"	315.10796	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+2Na-H"	44.97116
"629522"	450.17636	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+2Na-H"	44.97116
"1132418"	180.03956	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2Na-H"	44.97116
"173034"	158.057618	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+2Na"	45.978436
"612903"	225.591818	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+2Na"	45.978436
"1117077"	90.523418	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2Na"	45.978436
"1401694"	60.684704	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H+2Na"	46.985712
"1438553"	182.081146	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H+HCOOH"	47.012746
"226061"	163.09064	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+3H2O+2H"	56.04448
"1510841"	196.13319	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+IsoProp+H"	61.06479
"411259"	166.044588	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+Na+K"	61.952376
"776995"	233.578788	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+Na+K"	61.952376
"1670774"	98.510388	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Na+K"	61.952376
"262041"	334.152568	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+ACN+Na"	64.015768
"1236574"	199.084168	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+ACN+Na"	64.015768
"1722544"	199.107693	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+NH4+HCOOH"	64.039293
"1187899"	68.012018	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+3Na"	68.967654
"1657788"	204.063088	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Na+HCOOH"	68.994688
"167931"	347.05584	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+2K-H"	76.91904
"609680"	482.12424	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+2K-H"	76.91904
"1092004"	211.98744	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2K-H"	76.91904
"151009"	174.031558	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"2M+2K"	77.926316
"590569"	241.565758	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"3M+2K"	77.926316
"1075081"	106.497358	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2K"	77.926316
"1113398"	214.001992	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2K+H"	78.933592
"1346501"	214.089607	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+DMSO+H"	79.021207
"1018319"	218.128776	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2ACN+H"	83.060376
"1533525"	219.122408	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+IsoProp+Na+H"	84.054008
"1001797"	109.568026	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+2ACN+2H"	84.067652
"1600311"	220.037028	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+K+HCOOH"	84.968628
"1427426"	250.068538	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+H+CF3COOH"	115.000138
"1161725"	130.081301	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+3ACN+2H"	125.094202
"1709816"	267.095085	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+NH4+CF3COOH"	132.026685
"1644374"	272.05048	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+Na+CF3COOH"	136.98208
"1578931"	288.02442	"C15561"	"N-Benzylformamide"	"C8H9NO"	"135.0684"	"M+K+CF3COOH"	152.95602
"813677"	107.0735	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M"	0
"985023"	88.05511	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-H2O-H"	-19.01839
"75452"	70.3750573333333	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M-3H"	-3.021828
"516837"	106.066224	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M-3H"	-3.021828
"890631"	34.6838906666667	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-3H"	-3.021828
"12851"	106.066224	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M-2H"	-2.014552
"455452"	159.602974	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M-2H"	-2.014552
"831673"	52.529474	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-2H"	-2.014552
"94270"	213.139724	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M-H"	-1.007276
"532441"	320.213224	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M-H"	-1.007276
"909027"	106.066224	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-H"	-1.007276
"62068"	230.166271	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M-2H+NH4"	16.019271
"501506"	337.239771	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M-2H+NH4"	16.019271
"878092"	123.092771	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-2H+NH4"	16.019271
"46602"	235.121666	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M-2H+Na"	20.974666
"486820"	342.195166	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M-2H+Na"	20.974666
"863120"	128.048166	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-2H+Na"	20.974666
"1632652"	128.048166	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Na-2H"	20.974666
"106988"	124.054563	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M-H+Cl"	33.962126
"545455"	177.591313	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M-H+Cl"	33.962126
"942498"	70.517813	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-H+Cl"	33.962126
"275339"	249.116402	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+Cl"	34.969402
"665578"	356.189902	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+Cl"	34.969402
"1280175"	142.042902	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Cl"	34.969402
"27103"	251.095606	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M-2H+K"	36.948606
"466666"	358.169106	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M-2H+K"	36.948606
"842280"	144.022106	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-2H+K"	36.948606
"1566862"	144.022106	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+K-2H"	36.948606
"947091"	152.071694	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-H+HCOOH"	44.998194
"366400"	259.145201	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+HCOOH-H"	44.998201
"351376"	273.160851	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+Hac-H"	59.013851
"1502394"	166.087351	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Hac-H"	59.013851
"965562"	174.053651	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-H+NaCOOH"	66.980151
"114469"	142.042902	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+2Cl"	69.938804
"561682"	195.579652	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+2Cl"	69.938804
"1030482"	88.506152	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2Cl"	69.938804
"1247875"	185.992385	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Br"	78.918885
"1307406"	188.048372	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Cl+HCOOH"	80.974872
"1327816"	210.030329	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Cl+NaCOOH"	102.956829
"915596"	220.059086	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M-H+CF3COOH"	112.985586
"1294496"	256.035764	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Cl+CF3COOH"	148.962264
"1382260"	72.060824	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H-2H2O"	-35.012676
"1397811"	90.0708	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H-H2O"	-17.0027
"293125"	215.154276	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+H"	1.007276
"685550"	322.227776	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+H"	1.007276
"1359710"	108.080776	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H"	1.007276
"131506"	108.080776	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+2H"	2.014552
"571064"	161.617526	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+2H"	2.014552
"1040589"	54.544026	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2H"	2.014552
"208122"	72.3896093333333	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+3H"	3.021828
"646591"	108.080776	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+3H"	3.021828
"1165448"	36.6984426666667	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+3H"	3.021828
"439387"	232.180823	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+NH4"	18.033823
"798477"	339.254323	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+NH4"	18.033823
"1691525"	125.107323	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+NH4"	18.033823
"340898"	116.5940495	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+H+NH4"	19.041099
"737816"	170.1307995	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+H+NH4"	19.041099
"1490419"	63.0572995	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H+NH4"	19.041099
"405089"	237.136218	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+Na"	22.989218
"765721"	344.209718	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+Na"	22.989218
"1613819"	130.062718	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Na"	22.989218
"327501"	119.071747	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+H+Na"	23.996494
"720649"	172.608497	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+H+Na"	23.996494
"1474470"	65.534997	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H+Na"	23.996494
"1062245"	44.0257566666667	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2H+Na"	25.00377
"1269395"	140.106986	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+CH3OH+H"	33.033486
"390155"	253.110158	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+K"	38.963158
"751883"	360.183658	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+K"	38.963158
"1551019"	146.036658	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+K"	38.963158
"313302"	127.058717	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+H+K"	39.970434
"704995"	180.595467	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+H+K"	39.970434
"1456627"	73.521967	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H+K"	39.970434
"237573"	256.180826	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+ACN+H"	42.033826
"1212832"	149.107326	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+ACN+H"	42.033826
"1198537"	75.057301	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+ACN+2H"	43.041102
"190679"	259.11816	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+2Na-H"	44.97116
"631333"	366.19166	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+2Na-H"	44.97116
"1131797"	152.04466	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2Na-H"	44.97116
"175211"	130.062718	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+2Na"	45.978436
"613230"	183.599468	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+2Na"	45.978436
"1115811"	76.525968	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2Na"	45.978436
"1398681"	51.3530706666667	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H+2Na"	46.985712
"1431368"	154.086246	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H+HCOOH"	47.012746
"223617"	135.09574	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+3H2O+2H"	56.04448
"1512406"	168.13829	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+IsoProp+H"	61.06479
"412828"	138.049688	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+Na+K"	61.952376
"776012"	191.586438	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+Na+K"	61.952376
"1672343"	84.512938	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Na+K"	61.952376
"258870"	278.162768	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+ACN+Na"	64.015768
"1238142"	171.089268	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+ACN+Na"	64.015768
"1724478"	171.112793	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+NH4+HCOOH"	64.039293
"1188374"	58.6803846666667	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+3Na"	68.967654
"1661545"	176.068188	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Na+HCOOH"	68.994688
"169137"	291.06604	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+2K-H"	76.91904
"609061"	398.13954	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+2K-H"	76.91904
"1092114"	183.99254	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2K-H"	76.91904
"153308"	146.036658	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"2M+2K"	77.926316
"594325"	199.573408	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"3M+2K"	77.926316
"1075191"	92.499908	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2K"	77.926316
"1114599"	186.007092	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2K+H"	78.933592
"1345882"	186.094707	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+DMSO+H"	79.021207
"1019522"	190.133876	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2ACN+H"	83.060376
"1535822"	191.127508	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+IsoProp+Na+H"	84.054008
"1003000"	95.570576	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+2ACN+2H"	84.067652
"1600059"	192.042128	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+K+HCOOH"	84.968628
"1426807"	222.073638	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+H+CF3COOH"	115.000138
"1161836"	116.083851	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+3ACN+2H"	125.094202
"1709926"	239.100185	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+NH4+CF3COOH"	132.026685
"1644484"	244.05558	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+Na+CF3COOH"	136.98208
"1579041"	260.02952	"C15562"	"Benzylamine;Benzenemethanamine"	"C7H9N"	"107.0735"	"M+K+CF3COOH"	152.95602
"816546"	381.0686	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M"	0
"987320"	362.05021	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-H2O-H"	-19.01839
"75562"	253.038457333333	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M-3H"	-3.021828
"517918"	380.061324	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M-3H"	-3.021828
"892927"	126.015590666667	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-3H"	-3.021828
"12596"	380.061324	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M-2H"	-2.014552
"455445"	570.595624	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M-2H"	-2.014552
"832598"	189.527024	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-2H"	-2.014552
"93731"	761.129924	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M-H"	-1.007276
"532923"	1142.198524	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M-H"	-1.007276
"911047"	380.061324	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-H"	-1.007276
"62062"	778.156471	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M-2H+NH4"	16.019271
"501616"	1159.225071	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M-2H+NH4"	16.019271
"878451"	397.087871	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-2H+NH4"	16.019271
"45869"	783.111866	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M-2H+Na"	20.974666
"486038"	1164.180466	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M-2H+Na"	20.974666
"863354"	402.043266	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-2H+Na"	20.974666
"1633250"	402.043266	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Na-2H"	20.974666
"108686"	398.049663	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M-H+Cl"	33.962126
"549584"	588.583963	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M-H+Cl"	33.962126
"942123"	207.515363	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-H+Cl"	33.962126
"276542"	797.106602	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+Cl"	34.969402
"668969"	1178.175202	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+Cl"	34.969402
"1283562"	416.038002	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Cl"	34.969402
"20653"	799.085806	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M-2H+K"	36.948606
"464587"	1180.154406	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M-2H+K"	36.948606
"844212"	418.017206	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-2H+K"	36.948606
"1568066"	418.017206	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+K-2H"	36.948606
"953763"	426.066794	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-H+HCOOH"	44.998194
"369790"	807.135401	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+HCOOH-H"	44.998201
"351486"	821.151051	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+Hac-H"	59.013851
"1499224"	440.082451	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Hac-H"	59.013851
"962392"	448.048751	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-H+NaCOOH"	66.980151
"114943"	416.038002	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+2Cl"	69.938804
"561792"	606.572302	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+2Cl"	69.938804
"1027312"	225.503702	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2Cl"	69.938804
"1247986"	459.987485	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Br"	78.918885
"1307153"	462.043472	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Cl+HCOOH"	80.974872
"1329021"	484.025429	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Cl+NaCOOH"	102.956829
"913522"	494.054186	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M-H+CF3COOH"	112.985586
"1294606"	530.030864	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Cl+CF3COOH"	148.962264
"1381519"	346.055924	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H-2H2O"	-35.012676
"1393547"	364.0659	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H-H2O"	-17.0027
"292142"	763.144476	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+H"	1.007276
"686751"	1144.213076	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+H"	1.007276
"1358726"	382.075876	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H"	1.007276
"134895"	382.075876	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+2H"	2.014552
"573361"	572.610176	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+2H"	2.014552
"1039241"	191.541576	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2H"	2.014552
"208233"	255.053009333333	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+3H"	3.021828
"647429"	382.075876	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+3H"	3.021828
"1167382"	128.030142666667	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+3H"	3.021828
"439908"	780.171023	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+NH4"	18.033823
"800776"	1161.239623	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+NH4"	18.033823
"1691635"	399.102423	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+NH4"	18.033823
"341007"	390.5891495	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+H+NH4"	19.041099
"733427"	581.1234495	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+H+NH4"	19.041099
"1488342"	200.0548495	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H+NH4"	19.041099
"405928"	785.126418	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+Na"	22.989218
"765830"	1166.195018	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+Na"	22.989218
"1612836"	404.057818	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Na"	22.989218
"325057"	393.066847	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+H+Na"	23.996494
"720397"	583.601147	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+H+Na"	23.996494
"1474578"	202.532547	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H+Na"	23.996494
"1062355"	135.357456666667	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2H+Na"	25.00377
"1269503"	414.102086	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+CH3OH+H"	33.033486
"388077"	801.100358	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+K"	38.963158
"750168"	1182.168958	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+K"	38.963158
"1550033"	420.031758	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+K"	38.963158
"311953"	401.053817	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+H+K"	39.970434
"705104"	591.588117	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+H+K"	39.970434
"1459290"	210.519517	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H+K"	39.970434
"238048"	804.171026	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+ACN+H"	42.033826
"1214038"	423.102426	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+ACN+H"	42.033826
"1199012"	212.054851	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+ACN+2H"	43.041102
"188965"	807.10836	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+2Na-H"	44.97116
"628925"	1188.17696	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+2Na-H"	44.97116
"1132762"	426.03976	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2Na-H"	44.97116
"174228"	404.057818	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+2Na"	45.978436
"614153"	594.592118	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+2Na"	45.978436
"1116806"	213.523518	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2Na"	45.978436
"1399362"	142.684770666667	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H+2Na"	46.985712
"1433302"	428.081346	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H+HCOOH"	47.012746
"224820"	409.09084	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+3H2O+2H"	56.04448
"1508991"	442.13339	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+IsoProp+H"	61.06479
"412936"	412.044788	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+Na+K"	61.952376
"776122"	602.579088	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+Na+K"	61.952376
"1673547"	221.510488	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Na+K"	61.952376
"260074"	826.152968	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+ACN+Na"	64.015768
"1233877"	445.084368	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+ACN+Na"	64.015768
"1721672"	445.107893	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+NH4+HCOOH"	64.039293
"1189577"	150.012084666667	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+3Na"	68.967654
"1660196"	450.063288	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Na+HCOOH"	68.994688
"164871"	839.05624	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+2K-H"	76.91904
"605161"	1220.12484	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+2K-H"	76.91904
"1088944"	457.98764	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2K-H"	76.91904
"146854"	420.031758	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"2M+2K"	77.926316
"587508"	610.566058	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"3M+2K"	77.926316
"1070197"	229.497458	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2K"	77.926316
"1108512"	460.002192	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2K+H"	78.933592
"1338337"	460.089807	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+DMSO+H"	79.021207
"1020363"	464.128976	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2ACN+H"	83.060376
"1538119"	465.122608	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+IsoProp+Na+H"	84.054008
"1005504"	232.568126	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+2ACN+2H"	84.067652
"1601626"	466.037228	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+K+HCOOH"	84.968628
"1429105"	496.068738	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+H+CF3COOH"	115.000138
"1161582"	253.081401	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+3ACN+2H"	125.094202
"1711495"	513.095285	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+NH4+CF3COOH"	132.026685
"1644594"	518.05068	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+Na+CF3COOH"	136.98208
"1579151"	534.02462	"C15563"	"2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one"	"C10H16N5O9P"	"381.0686"	"M+K+CF3COOH"	152.95602
"809522"	193.0375	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M"	0
"977587"	174.01911	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-H2O-H"	-19.01839
"72391"	127.684390666667	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M-3H"	-3.021828
"506487"	192.030224	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M-3H"	-3.021828
"889757"	63.3385573333333	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-3H"	-3.021828
"9426"	192.030224	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M-2H"	-2.014552
"448985"	288.548974	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M-2H"	-2.014552
"830067"	95.511474	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-2H"	-2.014552
"88967"	385.067724	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M-H"	-1.007276
"533806"	578.105224	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M-H"	-1.007276
"910341"	192.030224	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-H"	-1.007276
"60704"	402.094271	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M-2H+NH4"	16.019271
"500265"	595.131771	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M-2H+NH4"	16.019271
"876974"	209.056771	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-2H+NH4"	16.019271
"44873"	407.049666	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M-2H+Na"	20.974666
"485166"	600.087166	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M-2H+Na"	20.974666
"863095"	214.012166	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-2H+Na"	20.974666
"1633848"	214.012166	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Na-2H"	20.974666
"108552"	210.018563	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M-H+Cl"	33.962126
"546768"	306.537313	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M-H+Cl"	33.962126
"931541"	113.499813	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-H+Cl"	33.962126
"279939"	421.044402	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+Cl"	34.969402
"666897"	614.081902	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+Cl"	34.969402
"1273222"	228.006902	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Cl"	34.969402
"17483"	423.023606	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M-2H+K"	36.948606
"463604"	616.061106	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M-2H+K"	36.948606
"841406"	229.986106	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-2H+K"	36.948606
"1562710"	229.986106	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+K-2H"	36.948606
"950591"	238.035694	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-H+HCOOH"	44.998194
"368806"	431.073201	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+HCOOH-H"	44.998201
"359251"	445.088851	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+Hac-H"	59.013851
"1504803"	252.051351	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Hac-H"	59.013851
"970158"	260.017651	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-H+NaCOOH"	66.980151
"114689"	228.006902	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+2Cl"	69.938804
"558623"	324.525652	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+2Cl"	69.938804
"1027422"	131.488152	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2Cl"	69.938804
"1247002"	271.956385	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Br"	78.918885
"1310543"	274.012372	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Cl+HCOOH"	80.974872
"1325122"	295.994329	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Cl+NaCOOH"	102.956829
"924575"	306.023086	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M-H+CF3COOH"	112.985586
"1300191"	341.999764	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Cl+CF3COOH"	148.962264
"1380174"	158.024824	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H-2H2O"	-35.012676
"1397428"	176.0348	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H-H2O"	-17.0027
"294440"	387.082276	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+H"	1.007276
"684674"	580.119776	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+H"	1.007276
"1356649"	194.044776	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H"	1.007276
"131725"	194.044776	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+2H"	2.014552
"569823"	290.563526	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+2H"	2.014552
"1040444"	97.526026	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2H"	2.014552
"216373"	129.698942666667	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+3H"	3.021828
"655936"	194.044776	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+3H"	3.021828
"1177109"	65.3531093333333	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+3H"	3.021828
"438434"	404.108823	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+NH4"	18.033823
"799794"	597.146323	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+NH4"	18.033823
"1693569"	211.071323	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+NH4"	18.033823
"343302"	202.5580495	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+H+NH4"	19.041099
"734633"	299.0767995	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+H+NH4"	19.041099
"1490640"	106.0392995	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H+NH4"	19.041099
"406768"	409.064218	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+Na"	22.989218
"768125"	602.101718	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+Na"	22.989218
"1614036"	216.026718	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Na"	22.989218
"326259"	205.035747	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+H+Na"	23.996494
"717587"	301.554497	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+H+Na"	23.996494
"1471408"	108.516997	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H+Na"	23.996494
"1065748"	72.6804233333333	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2H+Na"	25.00377
"1269613"	226.070986	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+CH3OH+H"	33.033486
"390375"	425.038158	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+K"	38.963158
"748089"	618.075658	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+K"	38.963158
"1553063"	232.000658	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+K"	38.963158
"309509"	213.022717	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+H+K"	39.970434
"704117"	309.541467	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+H+K"	39.970434
"1458671"	116.503967	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H+K"	39.970434
"238157"	428.108826	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+ACN+H"	42.033826
"1213785"	235.071326	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+ACN+H"	42.033826
"1196208"	118.039301	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+ACN+2H"	43.041102
"192723"	431.04616	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+2Na-H"	44.97116
"628834"	624.08366	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+2Na-H"	44.97116
"1138340"	238.00866	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2Na-H"	44.97116
"175069"	216.026718	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+2Na"	45.978436
"618273"	312.545468	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+2Na"	45.978436
"1117161"	119.507968	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2Na"	45.978436
"1404211"	80.0077373333333	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H+2Na"	46.985712
"1430736"	240.050246	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H+HCOOH"	47.012746
"224202"	221.05974	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+3H2O+2H"	56.04448
"1513359"	254.10229	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+IsoProp+H"	61.06479
"411953"	224.013688	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+Na+K"	61.952376
"784626"	320.532438	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+Na+K"	61.952376
"1679130"	127.494938	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Na+K"	61.952376
"264555"	450.090768	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+ACN+Na"	64.015768
"1235081"	257.053268	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+ACN+Na"	64.015768
"1719952"	257.076793	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+NH4+HCOOH"	64.039293
"1188225"	87.3350513333333	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+3Na"	68.967654
"1657026"	262.032188	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Na+HCOOH"	68.994688
"162795"	462.99404	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+2K-H"	76.91904
"602355"	656.03154	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+2K-H"	76.91904
"1095615"	269.95654	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2K-H"	76.91904
"152432"	232.000658	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"2M+2K"	77.926316
"591997"	328.519408	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"3M+2K"	77.926316
"1076507"	135.481908	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2K"	77.926316
"1109722"	271.971092	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2K+H"	78.933592
"1345013"	272.058707	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+DMSO+H"	79.021207
"1021247"	276.097876	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2ACN+H"	83.060376
"1538111"	277.091508	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+IsoProp+Na+H"	84.054008
"1002493"	138.552576	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+2ACN+2H"	84.067652
"1601370"	278.006128	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+K+HCOOH"	84.968628
"1427758"	308.037638	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+H+CF3COOH"	115.000138
"1159505"	159.065851	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+3ACN+2H"	125.094202
"1706866"	325.064185	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+NH4+CF3COOH"	132.026685
"1644704"	330.01958	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+Na+CF3COOH"	136.98208
"1575983"	345.99352	"C15566"	"D-Dopachrome"	"C9H7NO4"	"193.0375"	"M+K+CF3COOH"	152.95602
"809632"	272.0685	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M"	0
"976604"	253.05011	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"65940"	180.371724	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"506597"	271.061224	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"887680"	89.682224	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"10629"	271.061224	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"451282"	407.095474	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"829935"	135.026974	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"91872"	543.129724	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"534035"	815.198224	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"908506"	271.061224	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"61666"	560.156271	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"501348"	832.224771	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"877084"	288.087771	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"43890"	565.111666	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"485398"	837.180166	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"864013"	293.043166	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1633351"	293.043166	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"109142"	289.049563	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"543597"	425.083813	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"933839"	153.015313	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"278956"	579.106402	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"672472"	851.174902	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1283780"	307.037902	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"27432"	581.085606	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"464807"	853.154106	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"840421"	309.017106	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1565007"	309.017106	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"950701"	317.066694	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"367823"	589.135201	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"360091"	603.150851	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1505644"	331.082351	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"970268"	339.048651	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"122454"	307.037902	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"557641"	443.072152	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1024616"	171.003652	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1247112"	350.987385	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1309560"	353.043372	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1321586"	375.025329	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"926512"	385.054086	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1302123"	421.030764	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1381379"	237.055824	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1398025"	255.0658	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"294550"	545.144276	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"683691"	817.212776	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1356759"	273.075776	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"132928"	273.075776	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"567748"	409.110026	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1038731"	137.041526	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"215754"	182.386276	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"657868"	273.075776	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1177101"	91.696776	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"438910"	562.170823	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"800633"	834.239323	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1694042"	290.102323	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"343412"	281.5890495	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"733650"	417.6232995	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1488562"	145.5547995	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"403961"	567.126218	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"767142"	839.194718	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1611959"	295.057718	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"324181"	284.066747	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"713323"	420.100997	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1471518"	148.032497	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1065857"	99.02409	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1267535"	305.101986	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"386110"	583.100158	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"749293"	855.168658	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1553905"	311.031658	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"309619"	292.053717	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"703499"	428.087967	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1459510"	156.019467	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"248474"	586.170826	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1214258"	314.102326	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1196682"	157.554801	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"195022"	589.10816	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"634216"	861.17666	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1134076"	317.03966	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"182470"	295.057718	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"620936"	431.091968	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1118244"	159.023468	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1406873"	106.351404	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1430845"	319.081246	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"223583"	300.09074	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1514562"	333.13329	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"414250"	303.044688	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"784002"	439.078938	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1678149"	167.010438	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"261388"	608.152768	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1233004"	336.084268	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1720793"	336.107793	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1187243"	113.678718	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1657135"	341.063188	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"165092"	621.05604	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"602465"	893.12454	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1094632"	348.98754	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"147074"	311.031658	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"592836"	447.065908	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1074430"	174.997408	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1110924"	351.002092	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1346216"	351.089707	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1020826"	355.128876	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1538342"	356.122508	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1004669"	178.068076	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1599294"	357.037128	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1428961"	387.068638	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1158521"	198.581351	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1710256"	404.095185	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1641534"	409.05058	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1576093"	425.02452	"C15567"	"274-Trihydroxyisoflavanone"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"809742"	404.2563	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M"	0
"976714"	385.23791	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-H2O-H"	-19.01839
"68237"	268.496924	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M-3H"	-3.021828
"504883"	403.249024	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M-3H"	-3.021828
"887790"	133.744824	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-3H"	-3.021828
"10739"	403.249024	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M-2H"	-2.014552
"445924"	605.377174	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M-2H"	-2.014552
"823727"	201.120874	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-2H"	-2.014552
"91982"	807.505324	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M-H"	-1.007276
"526560"	1211.761624	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M-H"	-1.007276
"907642"	403.249024	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-H"	-1.007276
"62386"	824.531871	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M-2H+NH4"	16.019271
"500485"	1228.788171	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M-2H+NH4"	16.019271
"876100"	420.275571	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-2H+NH4"	16.019271
"41813"	829.487266	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M-2H+Na"	20.974666
"485629"	1233.743566	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M-2H+Na"	20.974666
"864110"	425.230966	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-2H+Na"	20.974666
"1633942"	425.230966	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Na-2H"	20.974666
"109252"	421.237363	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M-H+Cl"	33.962126
"545894"	623.365513	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M-H+Cl"	33.962126
"933949"	219.109213	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-H+Cl"	33.962126
"279066"	843.482002	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+Cl"	34.969402
"672582"	1247.738302	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+Cl"	34.969402
"1283890"	439.225702	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Cl"	34.969402
"27541"	845.461206	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M-2H+K"	36.948606
"469289"	1249.717506	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M-2H+K"	36.948606
"843813"	441.204906	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-2H+K"	36.948606
"1567304"	441.204906	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+K-2H"	36.948606
"956280"	449.254494	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-H+HCOOH"	44.998194
"374495"	853.510801	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+HCOOH-H"	44.998201
"360812"	867.526451	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+Hac-H"	59.013851
"1507456"	463.270151	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Hac-H"	59.013851
"970378"	471.236451	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-H+NaCOOH"	66.980151
"122564"	439.225702	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+2Cl"	69.938804
"557751"	641.353852	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+2Cl"	69.938804
"1023268"	237.097552	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2Cl"	69.938804
"1247223"	483.175185	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Br"	78.918885
"1309670"	485.231172	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Cl+HCOOH"	80.974872
"1320358"	507.213129	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Cl+NaCOOH"	102.956829
"924431"	517.241886	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M-H+CF3COOH"	112.985586
"1301505"	553.218564	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Cl+CF3COOH"	148.962264
"1380758"	369.243624	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H-2H2O"	-35.012676
"1396801"	387.2536	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H-H2O"	-17.0027
"290288"	809.519876	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+H"	1.007276
"684895"	1213.776176	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+H"	1.007276
"1362337"	405.263576	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H"	1.007276
"133038"	405.263576	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+2H"	2.014552
"570774"	607.391726	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+2H"	2.014552
"1040666"	203.135426	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2H"	2.014552
"216593"	270.511476	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+3H"	3.021828
"654334"	405.263576	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+3H"	3.021828
"1178136"	135.759376	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+3H"	3.021828
"439632"	826.546423	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+NH4"	18.033823
"800988"	1230.802723	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+NH4"	18.033823
"1695978"	422.290123	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+NH4"	18.033823
"340244"	413.7768495	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+H+NH4"	19.041099
"733760"	615.9049995	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+H+NH4"	19.041099
"1487580"	211.6486995	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H+NH4"	19.041099
"402978"	831.501818	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+Na"	22.989218
"765066"	1235.758118	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+Na"	22.989218
"1612070"	427.245518	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Na"	22.989218
"321012"	416.254547	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+H+Na"	23.996494
"713433"	618.382697	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+H+Na"	23.996494
"1468349"	214.126397	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H+Na"	23.996494
"1061595"	143.08669	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2H+Na"	25.00377
"1262180"	437.289786	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+CH3OH+H"	33.033486
"385128"	847.475758	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+K"	38.963158
"745031"	1251.732058	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+K"	38.963158
"1554014"	443.219458	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+K"	38.963158
"309729"	424.241517	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+H+K"	39.970434
"703609"	626.369667	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+H+K"	39.970434
"1458892"	222.113367	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H+K"	39.970434
"247855"	850.546426	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+ACN+H"	42.033826
"1220564"	446.290126	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+ACN+H"	42.033826
"1200072"	223.648701	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+ACN+2H"	43.041102
"191485"	853.48376	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+2Na-H"	44.97116
"631046"	1257.74006	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+2Na-H"	44.97116
"1133700"	449.22746	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2Na-H"	44.97116
"182580"	427.245518	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+2Na"	45.978436
"616674"	629.373668	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+2Na"	45.978436
"1126737"	225.117368	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2Na"	45.978436
"1406982"	150.414004	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H+2Na"	46.985712
"1432538"	451.269046	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H+HCOOH"	47.012746
"224422"	432.27854	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+3H2O+2H"	56.04448
"1513579"	465.32109	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+IsoProp+H"	61.06479
"415453"	435.232488	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+Na+K"	61.952376
"784114"	637.360638	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+Na+K"	61.952376
"1677165"	233.104338	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Na+K"	61.952376
"261499"	872.528368	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+ACN+Na"	64.015768
"1234206"	468.272068	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+ACN+Na"	64.015768
"1718716"	468.295593	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+NH4+HCOOH"	64.039293
"1186257"	157.741318	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+3Na"	68.967654
"1653600"	473.250988	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Na+HCOOH"	68.994688
"166295"	885.43164	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+2K-H"	76.91904
"602575"	1289.68794	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+2K-H"	76.91904
"1094742"	481.17534	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2K-H"	76.91904
"150464"	443.219458	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"2M+2K"	77.926316
"592217"	645.347608	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"3M+2K"	77.926316
"1073447"	241.091308	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2K"	77.926316
"1106661"	483.189892	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2K+H"	78.933592
"1344140"	483.277507	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+DMSO+H"	79.021207
"1019110"	487.316676	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2ACN+H"	83.060376
"1534077"	488.310308	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+IsoProp+Na+H"	84.054008
"1001619"	244.161976	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+2ACN+2H"	84.067652
"1602079"	489.224928	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+K+HCOOH"	84.968628
"1428342"	519.256438	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+H+CF3COOH"	115.000138
"1159725"	264.675251	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+3ACN+2H"	125.094202
"1710366"	536.282985	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+NH4+CF3COOH"	132.026685
"1641644"	541.23838	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+Na+CF3COOH"	136.98208
"1572923"	557.21232	"C15568"	"7alpha12alpha-Dihydroxy-3-oxochol-4-enoate"	"C24H36O5"	"404.2563"	"M+K+CF3COOH"	152.95602
"806573"	386.2457	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M"	0
"977917"	367.22731	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-H2O-H"	-19.01839
"69440"	256.489857333333	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M-3H"	-3.021828
"510098"	385.238424	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M-3H"	-3.021828
"887900"	127.741290666667	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-3H"	-3.021828
"10849"	385.238424	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M-2H"	-2.014552
"449316"	578.361274	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M-2H"	-2.014552
"827118"	192.115574	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-2H"	-2.014552
"92213"	771.484124	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M-H"	-1.007276
"529950"	1157.729824	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M-H"	-1.007276
"910427"	385.238424	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-H"	-1.007276
"62850"	788.510671	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M-2H+NH4"	16.019271
"501691"	1174.756371	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M-2H+NH4"	16.019271
"879539"	402.264971	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-2H+NH4"	16.019271
"45205"	793.466066	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M-2H+Na"	20.974666
"486794"	1179.711766	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M-2H+Na"	20.974666
"861475"	407.220366	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-2H+Na"	20.974666
"1634142"	407.220366	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Na-2H"	20.974666
"109856"	403.226763	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M-H+Cl"	33.962126
"549738"	596.349613	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M-H+Cl"	33.962126
"935152"	210.103913	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-H+Cl"	33.962126
"278082"	807.460802	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+Cl"	34.969402
"670505"	1193.706502	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+Cl"	34.969402
"1280720"	421.215102	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Cl"	34.969402
"30810"	809.440006	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M-2H+K"	36.948606
"467212"	1195.685706	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M-2H+K"	36.948606
"842830"	423.194306	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-2H+K"	36.948606
"1563037"	423.194306	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+K-2H"	36.948606
"955296"	431.243894	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-H+HCOOH"	44.998194
"371323"	817.489601	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+HCOOH-H"	44.998201
"360192"	831.505251	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+Hac-H"	59.013851
"1507321"	445.259551	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Hac-H"	59.013851
"971581"	453.225851	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-H+NaCOOH"	66.980151
"123768"	421.215102	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+2Cl"	69.938804
"558955"	614.337952	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+2Cl"	69.938804
"1027753"	228.092252	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2Cl"	69.938804
"1245510"	465.164585	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Br"	78.918885
"1311967"	467.220572	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Cl+HCOOH"	80.974872
"1320832"	489.202529	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Cl+NaCOOH"	102.956829
"925268"	499.231286	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M-H+CF3COOH"	112.985586
"1301979"	535.207964	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Cl+CF3COOH"	148.962264
"1381234"	351.233024	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H-2H2O"	-35.012676
"1396183"	369.243	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H-H2O"	-17.0027
"295865"	773.498676	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+H"	1.007276
"688286"	1159.744376	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+H"	1.007276
"1363540"	387.252976	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H"	1.007276
"133148"	387.252976	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+2H"	2.014552
"570520"	580.375826	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+2H"	2.014552
"1040047"	194.130126	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2H"	2.014552
"218163"	258.504409333333	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+3H"	3.021828
"657359"	387.252976	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+3H"	3.021828
"1178287"	129.755842666667	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+3H"	3.021828
"439014"	790.525223	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+NH4"	18.033823
"800612"	1176.770923	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+NH4"	18.033823
"1695723"	404.279523	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+NH4"	18.033823
"344730"	395.7662495	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+H+NH4"	19.041099
"738246"	588.8890995	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+H+NH4"	19.041099
"1489877"	202.6433995	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H+NH4"	19.041099
"406367"	795.480618	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+Na"	22.989218
"764084"	1181.726318	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+Na"	22.989218
"1613273"	409.234918	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Na"	22.989218
"323308"	398.243947	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+H+Na"	23.996494
"712449"	591.366797	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+H+Na"	23.996494
"1469552"	205.121097	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H+Na"	23.996494
"1061705"	137.083156666667	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2H+Na"	25.00377
"1263383"	419.279186	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+CH3OH+H"	33.033486
"385239"	811.454558	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+K"	38.963158
"745140"	1197.700258	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+K"	38.963158
"1554003"	425.208858	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+K"	38.963158
"309839"	406.230917	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+H+K"	39.970434
"700073"	599.353767	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+H+K"	39.970434
"1459731"	213.108067	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H+K"	39.970434
"246873"	814.525226	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+ACN+H"	42.033826
"1218487"	428.279526	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+ACN+H"	42.033826
"1200182"	214.643401	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+ACN+2H"	43.041102
"192324"	817.46256	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+2Na-H"	44.97116
"632249"	1203.70826	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+2Na-H"	44.97116
"1135755"	431.21686	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2Na-H"	44.97116
"183784"	409.234918	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+2Na"	45.978436
"618239"	602.357768	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+2Na"	45.978436
"1124661"	216.112068	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2Na"	45.978436
"1405999"	144.410470666667	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H+2Na"	46.985712
"1434835"	433.258446	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H+HCOOH"	47.012746
"225625"	414.26794	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+3H2O+2H"	56.04448
"1514782"	447.31049	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+IsoProp+H"	61.06479
"415563"	417.221888	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+Na+K"	61.952376
"784219"	610.344738	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+Na+K"	61.952376
"1680190"	224.099038	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Na+K"	61.952376
"266587"	836.507168	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+ACN+Na"	64.015768
"1236502"	450.261468	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+ACN+Na"	64.015768
"1721014"	450.284993	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+NH4+HCOOH"	64.039293
"1186371"	151.737784666667	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+3Na"	68.967654
"1658451"	455.240388	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Na+HCOOH"	68.994688
"168593"	849.41044	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+2K-H"	76.91904
"609248"	1235.65614	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+2K-H"	76.91904
"1097040"	463.16474	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2K-H"	76.91904
"153493"	425.208858	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"2M+2K"	77.926316
"591234"	618.331708	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"3M+2K"	77.926316
"1073557"	232.086008	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2K"	77.926316
"1111146"	465.179292	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2K+H"	78.933592
"1349475"	465.266907	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+DMSO+H"	79.021207
"1020439"	469.306076	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2ACN+H"	83.060376
"1537469"	470.299708	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+IsoProp+Na+H"	84.054008
"1004766"	235.156676	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+2ACN+2H"	84.067652
"1601700"	471.214328	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+K+HCOOH"	84.968628
"1429628"	501.245838	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+H+CF3COOH"	115.000138
"1161902"	255.669951	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+3ACN+2H"	125.094202
"1710476"	518.272385	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+NH4+CF3COOH"	132.026685
"1645034"	523.22778	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+Na+CF3COOH"	136.98208
"1573033"	539.20172	"C15569"	"12alpha-Hydroxy-3-oxochola-46-dienoate"	"C24H34O4"	"386.2457"	"M+K+CF3COOH"	152.95602
"809962"	240.0786	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M"	0
"976934"	221.06021	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"63595"	159.045124	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"510208"	239.071324	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"888010"	79.018924	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"12052"	239.071324	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"446145"	359.110624	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"827228"	119.032024	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"92687"	479.149924	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"525687"	719.228524	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"907498"	239.071324	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"62776"	496.176471	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"501437"	736.255071	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"879119"	256.097871	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"44951"	501.131866	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"486216"	741.210466	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"862681"	261.053266	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1630025"	261.053266	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"106554"	257.059663	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"549866"	377.098963	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"930888"	137.020363	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"276005"	515.126602	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"665148"	755.205202	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1279737"	275.048002	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"27761"	517.105806	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"465135"	757.184406	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"845126"	277.027206	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1563147"	277.027206	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"955771"	285.076794	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"371433"	525.155401	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"359694"	539.171051	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1507556"	299.092451	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"970963"	307.058751	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"123514"	275.048002	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"559065"	395.087302	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1027863"	155.008702	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1245256"	318.997485	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1312077"	321.053472	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1321551"	343.035429	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"923556"	353.064186	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1302818"	389.040864	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1378792"	205.065924	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1395563"	223.0759	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"294882"	481.164476	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"687302"	721.243076	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1361463"	241.085876	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"133258"	241.085876	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"570630"	361.125176	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1038333"	121.046576	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"217910"	161.059676	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"656740"	241.085876	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1177789"	81.033476	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"439734"	498.191023	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"800479"	738.269623	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1695105"	258.112423	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"343748"	249.5991495	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"737992"	369.6384495	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1491082"	129.5598495	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"405749"	503.146418	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"766016"	743.225018	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1613383"	263.067818	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"323054"	252.076847	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"713653"	372.116147	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1470755"	132.037547	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1062908"	88.36079	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1264586"	273.112086	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"385349"	519.120358	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"746343"	759.198958	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1553142"	279.041758	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"308856"	260.063817	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"700183"	380.103117	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1459841"	140.024517	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"246982"	522.191026	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1218233"	282.112426	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1198104"	141.559851	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"190977"	525.12836	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"628532"	765.20696	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1132948"	285.04976	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"181709"	263.067818	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"617987"	383.107118	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1124771"	143.028518	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1407202"	95.688104	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1434945"	287.091346	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"225735"	268.10084	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1514892"	301.14339	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"413485"	271.054788	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"775943"	391.094088	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1681290"	151.015488	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"266697"	544.172968	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1236612"	304.094368	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1720031"	304.117893	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1187574"	103.015418	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1658561"	309.073288	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"168339"	557.07624	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"608265"	797.15484	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1097515"	316.99764	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"154332"	279.041758	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"591344"	399.081058	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1073667"	159.002458	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1111256"	319.012192	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1349706"	319.099807	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1019330"	323.138976	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1538429"	324.132608	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"1004755"	162.073126	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1602580"	325.047228	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1429291"	355.078738	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1162133"	182.586401	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1710586"	372.105285	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1645144"	377.06068	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1573143"	393.03462	"C15570"	"Dihydroflavonol"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"810072"	110.0368	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M"	0
"977044"	91.01841	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-H2O-H"	-19.01839
"65649"	72.3505906666667	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M-3H"	-3.021828
"510318"	109.029524	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M-3H"	-3.021828
"888120"	35.6716573333333	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-3H"	-3.021828
"9976"	109.029524	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M-2H"	-2.014552
"446255"	164.047924	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M-2H"	-2.014552
"827338"	54.011124	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-2H"	-2.014552
"92434"	219.066324	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M-H"	-1.007276
"525797"	329.103124	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M-H"	-1.007276
"909432"	109.029524	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-H"	-1.007276
"62479"	236.092871	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M-2H+NH4"	16.019271
"502275"	346.129671	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M-2H+NH4"	16.019271
"878500"	126.056071	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-2H+NH4"	16.019271
"44940"	241.048266	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M-2H+Na"	20.974666
"483893"	351.085066	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M-2H+Na"	20.974666
"861331"	131.011466	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-2H+Na"	20.974666
"1629041"	131.011466	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Na-2H"	20.974666
"105571"	127.017863	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M-H+Cl"	33.962126
"545861"	182.036263	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M-H+Cl"	33.962126
"932091"	71.999463	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-H+Cl"	33.962126
"275022"	255.043002	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+Cl"	34.969402
"661978"	365.079802	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+Cl"	34.969402
"1279847"	145.006202	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Cl"	34.969402
"27871"	257.022206	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M-2H+K"	36.948606
"457225"	367.059006	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M-2H+K"	36.948606
"839768"	146.985406	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-2H+K"	36.948606
"1563257"	146.985406	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+K-2H"	36.948606
"955516"	155.034994	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-H+HCOOH"	44.998194
"369356"	265.071801	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+HCOOH-H"	44.998201
"359074"	279.087451	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+Hac-H"	59.013851
"1506449"	169.050651	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Hac-H"	59.013851
"971801"	177.016951	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-H+NaCOOH"	66.980151
"120708"	145.006202	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+2Cl"	69.938804
"559175"	200.024602	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+2Cl"	69.938804
"1029066"	89.987802	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2Cl"	69.938804
"1244272"	188.955685	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Br"	78.918885
"1307813"	191.011672	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Cl+HCOOH"	80.974872
"1321657"	212.993629	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Cl+NaCOOH"	102.956829
"924029"	223.022386	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M-H+CF3COOH"	112.985586
"1301835"	258.999064	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Cl+CF3COOH"	148.962264
"1380726"	75.024124	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H-2H2O"	-35.012676
"1394215"	93.0341	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H-H2O"	-17.0027
"294992"	221.080876	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+H"	1.007276
"688505"	331.117676	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+H"	1.007276
"1360480"	111.044076	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H"	1.007276
"132275"	111.044076	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+2H"	2.014552
"570740"	166.062476	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+2H"	2.014552
"1042818"	56.025676	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2H"	2.014552
"214008"	74.3651426666667	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+3H"	3.021828
"651381"	111.044076	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+3H"	3.021828
"1176069"	37.6862093333333	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+3H"	3.021828
"438253"	238.107423	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+NH4"	18.033823
"799244"	348.144223	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+NH4"	18.033823
"1694484"	128.070623	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+NH4"	18.033823
"344101"	119.5573495	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+H+NH4"	19.041099
"734819"	174.5757495	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+H+NH4"	19.041099
"1490828"	64.5389495	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H+NH4"	19.041099
"406589"	243.062818	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+Na"	22.989218
"767219"	353.099618	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+Na"	22.989218
"1612399"	133.026018	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Na"	22.989218
"323528"	122.035047	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+H+Na"	23.996494
"711576"	177.053447	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+H+Na"	23.996494
"1469770"	67.016647	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H+Na"	23.996494
"1067026"	45.0135233333333	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2H+Na"	25.00377
"1266881"	143.070286	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+CH3OH+H"	33.033486
"384364"	259.036758	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+K"	38.963158
"747545"	369.073558	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+K"	38.963158
"1554590"	148.999958	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+K"	38.963158
"311882"	130.022017	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+H+K"	39.970434
"704303"	185.040417	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+H+K"	39.970434
"1459832"	75.003617	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H+K"	39.970434
"248551"	262.107426	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+ACN+H"	42.033826
"1221989"	152.070626	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+ACN+H"	42.033826
"1201496"	76.538951	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+ACN+2H"	43.041102
"197648"	265.04476	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+2Na-H"	44.97116
"637208"	375.08156	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+2Na-H"	44.97116
"1142901"	155.00796	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2Na-H"	44.97116
"187656"	133.026018	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+2Na"	45.978436
"624659"	188.044418	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+2Na"	45.978436
"1125974"	78.007618	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2Na"	45.978436
"1409500"	52.3408373333333	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H+2Na"	46.985712
"1439429"	157.049546	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H+HCOOH"	47.012746
"225846"	138.05904	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+3H2O+2H"	56.04448
"1516096"	171.10159	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+IsoProp+H"	61.06479
"413595"	141.012988	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+Na+K"	61.952376
"776783"	196.031388	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+Na+K"	61.952376
"1680050"	85.994588	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Na+K"	61.952376
"265107"	284.089368	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+ACN+Na"	64.015768
"1237087"	174.052568	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+ACN+Na"	64.015768
"1722329"	174.076093	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+NH4+HCOOH"	64.039293
"1188779"	59.6681513333333	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+3Na"	68.967654
"1659766"	179.031488	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Na+HCOOH"	68.994688
"166628"	296.99264	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+2K-H"	76.91904
"604730"	407.02944	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+2K-H"	76.91904
"1094345"	186.95584	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2K-H"	76.91904
"151161"	148.999958	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"2M+2K"	77.926316
"589265"	204.018358	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"3M+2K"	77.926316
"1073777"	93.981558	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2K"	77.926316
"1108084"	188.970392	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2K+H"	78.933592
"1346655"	189.058007	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+DMSO+H"	79.021207
"1015187"	193.097176	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2ACN+H"	83.060376
"1539268"	194.090808	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+IsoProp+Na+H"	84.054008
"1002919"	97.052226	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+2ACN+2H"	84.067652
"1601919"	195.005428	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+K+HCOOH"	84.968628
"1425391"	225.036938	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+H+CF3COOH"	115.000138
"1161148"	117.565501	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+3ACN+2H"	125.094202
"1709603"	242.063485	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+NH4+CF3COOH"	132.026685
"1645254"	247.01888	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+Na+CF3COOH"	136.98208
"1573253"	262.99282	"C15571"	"Catechol"	"C6H6O2"	"110.0368"	"M+K+CF3COOH"	152.95602
"810182"	124.0524	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M"	0
"977154"	105.03401	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"64302"	81.694324	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"513708"	123.045124	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"891510"	40.343524	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"12273"	123.045124	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"446365"	185.071324	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"827448"	61.018924	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"91329"	247.097524	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"525907"	371.149924	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"909059"	123.045124	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"62846"	264.124071	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"501173"	388.176471	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"878006"	140.071671	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"45415"	269.079466	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"484003"	393.131866	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"861077"	145.027066	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1629151"	145.027066	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"105681"	141.033463	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"545242"	203.059663	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"931106"	79.007263	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"274039"	283.074202	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"663181"	407.126602	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1279957"	159.021802	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"24700"	285.053406	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"457942"	409.105806	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"839878"	161.001006	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1560085"	161.001006	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"957329"	169.050594	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"370559"	293.103001	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"356630"	307.118651	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1505466"	183.066251	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"971548"	191.032551	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"118631"	159.021802	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"558192"	221.048002	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1028084"	96.995602	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1243290"	202.971285	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1305737"	205.027272	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1321766"	227.009229	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"924506"	237.037986	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1297567"	273.014664	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1373541"	89.039724	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1392130"	107.0497	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"289631"	249.112076	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"680958"	373.164476	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1355120"	125.059676	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"135665"	125.059676	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"566958"	187.085876	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1038673"	63.033476	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"210837"	83.708876	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"650396"	125.059676	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1176179"	42.358076	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"439658"	266.138623	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"799353"	390.191023	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1695929"	142.086223	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"340680"	133.5729495	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"737481"	195.5991495	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1486922"	71.5467495	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"407065"	271.094018	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"767694"	395.146418	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1611416"	147.041618	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"317078"	136.050647	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"710593"	198.076847	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1465507"	74.024447	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1066043"	49.68539	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1265898"	157.085886	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"383381"	287.067958	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"745468"	411.120358	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1553361"	163.015558	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"311264"	144.037617	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"704049"	206.063817	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1458969"	82.011417	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"248297"	290.138626	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1218817"	166.086226	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1205251"	83.546751	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"198851"	293.07596	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"634038"	417.12836	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1143741"	169.02356	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"187641"	147.041618	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"626956"	209.067818	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1126084"	85.015418	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1413499"	57.012704	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1442819"	171.065146	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"228143"	152.07464	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1517299"	185.11719	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"413705"	155.028588	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"779079"	217.054788	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1680404"	93.002388	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"263761"	312.120568	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1238292"	188.068168	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1722805"	188.091693	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1189618"	64.340018	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1659509"	193.047088	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"168195"	325.02384	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"605569"	449.07624	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1092632"	200.97144	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"149813"	163.015558	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"590104"	225.041758	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1073887"	100.989358	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1110381"	202.985992	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1345672"	203.073607	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1014204"	207.112776	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1538649"	208.106408	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"1002057"	104.060026	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1602029"	209.021028	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1425501"	239.052538	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1161258"	124.573301	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1709713"	256.079085	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1645364"	261.03448	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1573363"	277.00842	"C15572"	"Guaiacol"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"810297"	548.1894	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M"	0
"987110"	529.17101	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-H2O-H"	-19.01839
"76446"	364.452324	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M-3H"	-3.021828
"516740"	547.182124	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M-3H"	-3.021828
"893815"	181.722524	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-3H"	-3.021828
"13845"	547.182124	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M-2H"	-2.014552
"450852"	821.276824	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M-2H"	-2.014552
"832471"	273.087424	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-2H"	-2.014552
"93840"	1095.371524	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M-H"	-1.007276
"533326"	1643.560924	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M-H"	-1.007276
"910156"	547.182124	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-H"	-1.007276
"62217"	1112.398071	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M-2H+NH4"	16.019271
"502383"	1660.587471	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M-2H+NH4"	16.019271
"878843"	564.208671	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-2H+NH4"	16.019271
"40186"	1117.353466	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M-2H+Na"	20.974666
"481935"	1665.542866	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M-2H+Na"	20.974666
"856459"	569.164066	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-2H+Na"	20.974666
"1629274"	569.164066	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Na-2H"	20.974666
"105805"	565.170463	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M-H+Cl"	33.962126
"544272"	839.265163	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M-H+Cl"	33.962126
"936692"	291.075763	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-H+Cl"	33.962126
"276343"	1131.348202	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+Cl"	34.969402
"668764"	1679.537602	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+Cl"	34.969402
"1281168"	583.158802	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Cl"	34.969402
"24818"	1133.327406	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M-2H+K"	36.948606
"468022"	1681.516806	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M-2H+K"	36.948606
"847283"	585.138006	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-2H+K"	36.948606
"1567855"	585.138006	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+K-2H"	36.948606
"956831"	593.187594	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-H+HCOOH"	44.998194
"374683"	1141.377001	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+HCOOH-H"	44.998201
"356742"	1155.392651	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+Hac-H"	59.013851
"1505574"	607.203251	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Hac-H"	59.013851
"970928"	615.169551	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-H+NaCOOH"	66.980151
"118747"	583.158802	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+2Cl"	69.938804
"560498"	857.253502	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+2Cl"	69.938804
"1033674"	309.064102	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2Cl"	69.938804
"1253618"	627.108285	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Br"	78.918885
"1315699"	629.164272	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Cl+HCOOH"	80.974872
"1331007"	651.146229	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Cl+NaCOOH"	102.956829
"922794"	661.174986	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M-H+CF3COOH"	112.985586
"1297682"	697.151664	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Cl+CF3COOH"	148.962264
"1380579"	513.176724	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H-2H2O"	-35.012676
"1392242"	531.1867	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H-H2O"	-17.0027
"291930"	1097.386076	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+H"	1.007276
"683261"	1645.575476	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+H"	1.007276
"1364718"	549.196676	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H"	1.007276
"133593"	549.196676	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+2H"	2.014552
"570967"	823.291376	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+2H"	2.014552
"1043047"	275.101976	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2H"	2.014552
"210946"	366.466876	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+3H"	3.021828
"652693"	549.196676	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+3H"	3.021828
"1175924"	183.737076	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+3H"	3.021828
"439196"	1114.412623	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+NH4"	18.033823
"799463"	1662.602023	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+NH4"	18.033823
"1695795"	566.223223	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+NH4"	18.033823
"344081"	557.7099495	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+H+NH4"	19.041099
"737591"	831.8046495	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+H+NH4"	19.041099
"1492141"	283.6152495	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H+NH4"	19.041099
"408068"	1119.368018	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+Na"	22.989218
"765615"	1667.557418	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+Na"	22.989218
"1607151"	571.178618	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Na"	22.989218
"327031"	560.187647	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+H+Na"	23.996494
"719454"	834.282347	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+H+Na"	23.996494
"1476852"	286.092947	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H+Na"	23.996494
"1067618"	191.06439	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2H+Na"	25.00377
"1270753"	581.222886	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+CH3OH+H"	33.033486
"390422"	1135.341958	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+K"	38.963158
"753606"	1683.531358	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+K"	38.963158
"1548730"	587.152558	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+K"	38.963158
"312836"	568.174617	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+H+K"	39.970434
"702704"	842.269317	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+H+K"	39.970434
"1454336"	294.079917	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H+K"	39.970434
"245124"	1138.412626	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+ACN+H"	42.033826
"1216738"	590.223226	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+ACN+H"	42.033826
"1200621"	295.615251	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+ACN+2H"	43.041102
"200052"	1141.34996	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+2Na-H"	44.97116
"635240"	1689.53936	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+2Na-H"	44.97116
"1135834"	593.16056	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2Na-H"	44.97116
"175476"	571.178618	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+2Na"	45.978436
"616856"	845.273318	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+2Na"	45.978436
"1130105"	297.083918	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2Na"	45.978436
"1413143"	198.391704	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H+2Na"	46.985712
"1445013"	595.202146	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H+HCOOH"	47.012746
"235199"	576.21164	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+3H2O+2H"	56.04448
"1523260"	609.25419	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+IsoProp+H"	61.06479
"420755"	579.165588	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+Na+K"	61.952376
"783209"	853.260288	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+Na+K"	61.952376
"1678447"	305.070888	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Na+K"	61.952376
"264967"	1160.394568	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+ACN+Na"	64.015768
"1239862"	612.205168	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+ACN+Na"	64.015768
"1727859"	612.228693	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+NH4+HCOOH"	64.039293
"1192278"	205.719018	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+3Na"	68.967654
"1656701"	617.184088	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Na+HCOOH"	68.994688
"166850"	1173.29784	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+2K-H"	76.91904
"611760"	1721.48724	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+2K-H"	76.91904
"1098830"	625.10844	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2K-H"	76.91904
"156907"	587.152558	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"2M+2K"	77.926316
"596056"	861.247258	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"3M+2K"	77.926316
"1078377"	313.057858	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2K"	77.926316
"1106118"	627.122992	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2K+H"	78.933592
"1339584"	627.210607	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+DMSO+H"	79.021207
"1012125"	631.249776	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2ACN+H"	83.060376
"1536813"	632.243408	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+IsoProp+Na+H"	84.054008
"997794"	316.128526	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+2ACN+2H"	84.067652
"1590112"	633.158028	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+K+HCOOH"	84.968628
"1422333"	663.189538	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+H+CF3COOH"	115.000138
"1160277"	336.641801	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+3ACN+2H"	125.094202
"1707644"	680.216085	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+NH4+CF3COOH"	132.026685
"1648762"	685.17148	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+Na+CF3COOH"	136.98208
"1576758"	701.14542	"C15579"	"Flavanone 7-O-alpha-L-rhamnosyl-(1-2)-beta-D-glucoside"	"C27H32O12"	"548.1894"	"M+K+CF3COOH"	152.95602
"810407"	416.1107	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M"	0
"987220"	397.09231	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-H2O-H"	-19.01839
"73276"	276.399857333333	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M-3H"	-3.021828
"516120"	415.103424	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M-3H"	-3.021828
"894653"	137.696290666667	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-3H"	-3.021828
"13590"	415.103424	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M-2H"	-2.014552
"452055"	623.158774	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M-2H"	-2.014552
"832787"	207.048074	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-2H"	-2.014552
"92892"	831.214124	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M-H"	-1.007276
"532694"	1247.324824	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M-H"	-1.007276
"911274"	415.103424	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-H"	-1.007276
"62730"	848.240671	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+NH4"	16.019271
"502124"	1264.351371	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+NH4"	16.019271
"879193"	432.129971	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-2H+NH4"	16.019271
"40295"	853.196066	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+Na"	20.974666
"478764"	1269.306766	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+Na"	20.974666
"853287"	437.085366	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-2H+Na"	20.974666
"1622822"	437.085366	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Na-2H"	20.974666
"103726"	433.091763	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M-H+Cl"	33.962126
"544382"	641.147113	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M-H+Cl"	33.962126
"935707"	225.036413	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-H+Cl"	33.962126
"276451"	867.190802	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+Cl"	34.969402
"669967"	1283.301502	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+Cl"	34.969402
"1284558"	451.080102	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Cl"	34.969402
"24928"	869.170006	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M-2H+K"	36.948606
"465580"	1285.280706	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M-2H+K"	36.948606
"847758"	453.059306	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-2H+K"	36.948606
"1569058"	453.059306	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+K-2H"	36.948606
"955848"	461.108894	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-H+HCOOH"	44.998194
"374063"	877.219601	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+HCOOH-H"	44.998201
"355759"	891.235251	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+Hac-H"	59.013851
"1505684"	475.124551	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Hac-H"	59.013851
"971038"	483.090851	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-H+NaCOOH"	66.980151
"118857"	451.080102	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+2Cl"	69.938804
"560608"	659.135452	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+2Cl"	69.938804
"1033418"	243.024752	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2Cl"	69.938804
"1254094"	495.029585	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Br"	78.918885
"1314715"	497.085572	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+HCOOH"	80.974872
"1330753"	519.067529	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+NaCOOH"	102.956829
"922174"	529.096286	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M-H+CF3COOH"	112.985586
"1298521"	565.072964	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Cl+CF3COOH"	148.962264
"1377773"	381.098024	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H-2H2O"	-35.012676
"1392352"	399.108	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H-H2O"	-17.0027
"292040"	833.228676	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+H"	1.007276
"684464"	1249.339376	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+H"	1.007276
"1365193"	417.117976	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H"	1.007276
"133703"	417.117976	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+2H"	2.014552
"569618"	625.173326	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+2H"	2.014552
"1040241"	209.062626	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2H"	2.014552
"211056"	278.414409333333	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+3H"	3.021828
"649522"	417.117976	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+3H"	3.021828
"1174941"	139.710842666667	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+3H"	3.021828
"433109"	850.255223	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+NH4"	18.033823
"799208"	1266.365923	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+NH4"	18.033823
"1695540"	434.144523	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+NH4"	18.033823
"342365"	425.6312495	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+H+NH4"	19.041099
"736608"	633.6865995	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+H+NH4"	19.041099
"1491883"	217.5758995	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H+NH4"	19.041099
"405824"	855.210618	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+Na"	22.989218
"765725"	1271.321318	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+Na"	22.989218
"1607261"	439.099918	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Na"	22.989218
"323861"	428.108947	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+H+Na"	23.996494
"717377"	636.164297	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+H+Na"	23.996494
"1476636"	220.053597	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H+Na"	23.996494
"1068392"	147.038156666667	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2H+Na"	25.00377
"1270863"	449.144186	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+CH3OH+H"	33.033486
"390896"	871.184558	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+K"	38.963158
"752256"	1287.295258	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+K"	38.963158
"1547746"	455.073858	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+K"	38.963158
"313310"	436.095917	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+H+K"	39.970434
"703906"	644.151267	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+H+K"	39.970434
"1453352"	228.040567	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H+K"	39.970434
"240860"	874.255226	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+ACN+H"	42.033826
"1216848"	458.144526	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+H"	42.033826
"1201825"	229.575901	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+2H"	43.041102
"197975"	877.19256	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+2Na-H"	44.97116
"636442"	1293.30326	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+2Na-H"	44.97116
"1134851"	461.08186	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2Na-H"	44.97116
"175343"	439.099918	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+2Na"	45.978436
"616238"	647.155268	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+2Na"	45.978436
"1128874"	231.044568	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2Na"	45.978436
"1408747"	154.365470666667	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H+2Na"	46.985712
"1442323"	463.123446	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H+HCOOH"	47.012746
"234576"	444.13294	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+3H2O+2H"	56.04448
"1522276"	477.17549	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+IsoProp+H"	61.06479
"420864"	447.086888	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+Na+K"	61.952376
"782955"	655.142238	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+Na+K"	61.952376
"1678191"	239.031538	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Na+K"	61.952376
"264709"	896.237168	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+ACN+Na"	64.015768
"1239603"	480.126468	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+ACN+Na"	64.015768
"1726305"	480.149993	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+NH4+HCOOH"	64.039293
"1192022"	161.692784666667	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+3Na"	68.967654
"1655718"	485.105388	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Na+HCOOH"	68.994688
"165867"	909.14044	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+2K-H"	76.91904
"611142"	1325.25114	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+2K-H"	76.91904
"1099428"	493.02974	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2K-H"	76.91904
"156935"	455.073858	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"2M+2K"	77.926316
"596041"	663.129208	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"3M+2K"	77.926316
"1078487"	247.018508	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2K"	77.926316
"1107321"	495.044292	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2K+H"	78.933592
"1339694"	495.131907	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+DMSO+H"	79.021207
"1012235"	499.171076	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2ACN+H"	83.060376
"1536923"	500.164708	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+IsoProp+Na+H"	84.054008
"998997"	250.089176	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+2ACN+2H"	84.067652
"1590222"	501.079328	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+K+HCOOH"	84.968628
"1422443"	531.110838	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+H+CF3COOH"	115.000138
"1160387"	270.602451	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+3ACN+2H"	125.094202
"1707754"	548.137385	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+NH4+CF3COOH"	132.026685
"1648872"	553.09278	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+Na+CF3COOH"	136.98208
"1576868"	569.06672	"C15580"	"Flavonol 7-O-beta-D-glucoside"	"C21H20O9"	"416.1107"	"M+K+CF3COOH"	152.95602
"815258"	562.1686	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M"	0
"987330"	543.15021	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-H2O-H"	-19.01839
"78007"	373.771790666667	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M-3H"	-3.021828
"517323"	561.161324	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M-3H"	-3.021828
"892941"	186.382257333333	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-3H"	-3.021828
"12608"	561.161324	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M-2H"	-2.014552
"452165"	842.245624	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M-2H"	-2.014552
"832766"	280.077024	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-2H"	-2.014552
"94242"	1123.329924	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M-H"	-1.007276
"534023"	1685.498524	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M-H"	-1.007276
"911315"	561.161324	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-H"	-1.007276
"62431"	1140.356471	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M-2H+NH4"	16.019271
"502720"	1702.525071	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M-2H+NH4"	16.019271
"879741"	578.187871	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-2H+NH4"	16.019271
"45993"	1145.311866	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M-2H+Na"	20.974666
"484336"	1707.480466	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M-2H+Na"	20.974666
"852302"	583.143266	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-2H+Na"	20.974666
"1624025"	583.143266	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Na-2H"	20.974666
"104929"	579.149663	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M-H+Cl"	33.962126
"545585"	860.233963	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M-H+Cl"	33.962126
"936910"	298.065363	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-H+Cl"	33.962126
"274374"	1159.306602	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+Cl"	34.969402
"666797"	1721.475202	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+Cl"	34.969402
"1281388"	597.138002	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Cl"	34.969402
"23945"	1161.285806	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M-2H+K"	36.948606
"468970"	1723.454406	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M-2H+K"	36.948606
"844587"	599.117206	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-2H+K"	36.948606
"1566982"	599.117206	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+K-2H"	36.948606
"954866"	607.166794	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-H+HCOOH"	44.998194
"370893"	1169.335401	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+HCOOH-H"	44.998201
"352589"	1183.351051	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+Hac-H"	59.013851
"1504701"	621.182451	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Hac-H"	59.013851
"971148"	629.148751	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-H+NaCOOH"	66.980151
"118967"	597.138002	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+2Cl"	69.938804
"561811"	878.222302	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+2Cl"	69.938804
"1033529"	316.053702	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2Cl"	69.938804
"1250922"	641.087485	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Br"	78.918885
"1314827"	643.143472	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Cl+HCOOH"	80.974872
"1333050"	665.125429	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Cl+NaCOOH"	102.956829
"923378"	675.154186	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M-H+CF3COOH"	112.985586
"1300817"	711.130864	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Cl+CF3COOH"	148.962264
"1377883"	527.155924	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H-2H2O"	-35.012676
"1392462"	545.1659	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H-H2O"	-17.0027
"292150"	1125.344476	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+H"	1.007276
"683481"	1687.513076	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+H"	1.007276
"1359832"	563.175876	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H"	1.007276
"129438"	563.175876	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+2H"	2.014552
"568270"	844.260176	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+2H"	2.014552
"1039986"	282.091576	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2H"	2.014552
"207886"	375.786342666667	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+3H"	3.021828
"648539"	563.175876	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+3H"	3.021828
"1173229"	188.396809333333	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+3H"	3.021828
"432126"	1142.371023	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+NH4"	18.033823
"798224"	1704.539623	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+NH4"	18.033823
"1692734"	580.202423	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+NH4"	18.033823
"343204"	571.6891495	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+H+NH4"	19.041099
"735987"	852.7734495	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+H+NH4"	19.041099
"1491264"	290.6048495	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H+NH4"	19.041099
"404841"	1147.326418	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+Na"	22.989218
"765835"	1709.495018	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+Na"	22.989218
"1608465"	585.157818	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Na"	22.989218
"323971"	574.166847	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+H+Na"	23.996494
"715300"	855.251147	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+H+Na"	23.996494
"1475325"	293.082547	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H+Na"	23.996494
"1067717"	195.724123333333	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2H+Na"	25.00377
"1270244"	595.202086	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+CH3OH+H"	33.033486
"391006"	1163.300358	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+K"	38.963158
"752366"	1725.468958	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+K"	38.963158
"1546763"	601.131758	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+K"	38.963158
"312689"	582.153817	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+H+K"	39.970434
"702923"	863.238117	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+H+K"	39.970434
"1452369"	301.069517	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H+K"	39.970434
"238783"	1166.371026	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+ACN+H"	42.033826
"1215865"	604.202426	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+ACN+H"	42.033826
"1200841"	302.604851	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+ACN+2H"	43.041102
"198085"	1169.30836	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+2Na-H"	44.97116
"634729"	1731.47696	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+2Na-H"	44.97116
"1134228"	607.13976	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2Na-H"	44.97116
"175697"	585.157818	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+2Na"	45.978436
"615984"	866.242118	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+2Na"	45.978436
"1123139"	304.073518	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2Na"	45.978436
"1408493"	203.051437333333	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H+2Na"	46.985712
"1440976"	609.181346	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H+HCOOH"	47.012746
"234322"	590.19084	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+3H2O+2H"	56.04448
"1521290"	623.23339	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+IsoProp+H"	61.06479
"422070"	593.144788	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+Na+K"	61.952376
"782702"	874.229088	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+Na+K"	61.952376
"1677574"	312.060488	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Na+K"	61.952376
"264456"	1188.352968	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+ACN+Na"	64.015768
"1236799"	626.184368	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+ACN+Na"	64.015768
"1726056"	626.207893	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+NH4+HCOOH"	64.039293
"1193593"	210.378751333333	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+3Na"	68.967654
"1656923"	631.163288	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Na+HCOOH"	68.994688
"165977"	1201.25624	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+2K-H"	76.91904
"612666"	1763.42484	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+2K-H"	76.91904
"1099294"	639.08764	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2K-H"	76.91904
"156843"	601.131758	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"2M+2K"	77.926316
"597016"	882.216058	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"3M+2K"	77.926316
"1083743"	320.047458	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2K"	77.926316
"1111806"	641.102192	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2K+H"	78.933592
"1344908"	641.189807	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+DMSO+H"	79.021207
"1015625"	645.228976	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2ACN+H"	83.060376
"1537033"	646.222608	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+IsoProp+Na+H"	84.054008
"999107"	323.118126	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+2ACN+2H"	84.067652
"1591425"	647.137228	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+K+HCOOH"	84.968628
"1426928"	677.168738	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+H+CF3COOH"	115.000138
"1160497"	343.631401	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+3ACN+2H"	125.094202
"1707863"	694.195285	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+NH4+CF3COOH"	132.026685
"1642421"	699.15068	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+Na+CF3COOH"	136.98208
"1580258"	715.12462	"C15581"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C27H30O13"	"562.1686"	"M+K+CF3COOH"	152.95602
"815733"	724.2215	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M"	0
"987440"	705.20311	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-H2O-H"	-19.01839
"78076"	481.807057333333	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M-3H"	-3.021828
"516707"	723.214224	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M-3H"	-3.021828
"893415"	240.399890666667	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-3H"	-3.021828
"13811"	723.214224	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M-2H"	-2.014552
"453368"	1085.324974	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M-2H"	-2.014552
"832273"	361.103474	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-2H"	-2.014552
"93641"	1447.435724	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M-H"	-1.007276
"533894"	2171.657224	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M-H"	-1.007276
"911127"	723.214224	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-H"	-1.007276
"62384"	1464.462271	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M-2H+NH4"	16.019271
"502349"	2188.683771	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M-2H+NH4"	16.019271
"879627"	740.240771	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-2H+NH4"	16.019271
"43429"	1469.417666	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M-2H+Na"	20.974666
"484081"	2193.639166	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M-2H+Na"	20.974666
"854599"	745.196166	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-2H+Na"	20.974666
"1619757"	745.196166	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Na-2H"	20.974666
"98470"	741.202563	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M-H+Cl"	33.962126
"538034"	1103.313313	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M-H+Cl"	33.962126
"935927"	379.091813	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-H+Cl"	33.962126
"277764"	1483.412402	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+Cl"	34.969402
"671280"	2207.633902	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+Cl"	34.969402
"1284778"	759.190902	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Cl"	34.969402
"28065"	1485.391606	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M-2H+K"	36.948606
"462520"	2209.613106	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M-2H+K"	36.948606
"845789"	761.170106	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-2H+K"	36.948606
"1568912"	761.170106	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+K-2H"	36.948606
"958136"	769.219694	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-H+HCOOH"	44.998194
"374283"	1493.441201	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+HCOOH-H"	44.998201
"352699"	1507.456851	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+Hac-H"	59.013851
"1505904"	783.235351	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Hac-H"	59.013851
"970894"	791.201651	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-H+NaCOOH"	66.980151
"119077"	759.190902	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+2Cl"	69.938804
"563016"	1121.301652	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+2Cl"	69.938804
"1034370"	397.080152	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2Cl"	69.938804
"1251398"	803.140385	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Br"	78.918885
"1316030"	805.196372	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Cl+HCOOH"	80.974872
"1334253"	827.178329	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Cl+NaCOOH"	102.956829
"924945"	837.207086	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M-H+CF3COOH"	112.985586
"1302749"	873.183764	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Cl+CF3COOH"	148.962264
"1377993"	689.208824	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H-2H2O"	-35.012676
"1391479"	707.2188	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H-H2O"	-17.0027
"288980"	1449.450276	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+H"	1.007276
"683591"	2173.671776	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+H"	1.007276
"1361764"	725.228776	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H"	1.007276
"131734"	725.228776	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+2H"	2.014552
"570202"	1087.339526	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+2H"	2.014552
"1041188"	363.118026	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2H"	2.014552
"210181"	483.821609333333	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+3H"	3.021828
"649741"	725.228776	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+3H"	3.021828
"1173339"	242.414442666667	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+3H"	3.021828
"432235"	1466.476823	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+NH4"	18.033823
"795417"	2190.698323	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+NH4"	18.033823
"1686281"	742.255323	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+NH4"	18.033823
"341122"	733.7420495	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+H+NH4"	19.041099
"735004"	1095.8527995	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+H+NH4"	19.041099
"1484082"	371.6312995	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H+NH4"	19.041099
"400574"	1471.432218	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+Na"	22.989218
"757196"	2195.653718	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+Na"	22.989218
"1605295"	747.210718	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Na"	22.989218
"324081"	736.219747	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+H+Na"	23.996494
"717233"	1098.330497	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+H+Na"	23.996494
"1473612"	374.108997	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H+Na"	23.996494
"1066736"	249.741756666667	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2H+Na"	25.00377
"1269626"	757.254986	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+CH3OH+H"	33.033486
"390752"	1487.406158	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+K"	38.963158
"750289"	2211.627658	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+K"	38.963158
"1546873"	763.184658	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+K"	38.963158
"301861"	744.206717	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+H+K"	39.970434
"695378"	1106.317467	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+H+K"	39.970434
"1449199"	382.095967	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H+K"	39.970434
"237800"	1490.476826	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+ACN+H"	42.033826
"1212694"	766.255326	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+ACN+H"	42.033826
"1202043"	383.631301	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+ACN+2H"	43.041102
"196008"	1493.41416	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+2Na-H"	44.97116
"635568"	2217.63566	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+2Na-H"	44.97116
"1133611"	769.19266	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2Na-H"	44.97116
"175807"	747.210718	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+2Na"	45.978436
"616824"	1109.321468	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+2Na"	45.978436
"1123249"	385.099968	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2Na"	45.978436
"1407874"	257.069070666667	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H+2Na"	46.985712
"1442179"	771.234246	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H+HCOOH"	47.012746
"232604"	752.24374	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+3H2O+2H"	56.04448
"1521397"	785.28629	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+IsoProp+H"	61.06479
"419259"	755.197688	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+Na+K"	61.952376
"779161"	1117.308438	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+Na+K"	61.952376
"1676950"	393.086938	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Na+K"	61.952376
"259096"	1512.458768	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+ACN+Na"	64.015768
"1237272"	788.237268	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+ACN+Na"	64.015768
"1725430"	788.260793	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+NH4+HCOOH"	64.039293
"1190419"	264.396384666667	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+3Na"	68.967654
"1657034"	793.216188	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Na+HCOOH"	68.994688
"161713"	1525.36204	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+2K-H"	76.91904
"612777"	2249.58354	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+2K-H"	76.91904
"1099612"	801.14054	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2K-H"	76.91904
"156955"	763.184658	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"2M+2K"	77.926316
"597093"	1125.295408	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"3M+2K"	77.926316
"1082597"	401.073908	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2K"	77.926316
"1111916"	803.155092	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2K+H"	78.933592
"1345018"	803.242707	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+DMSO+H"	79.021207
"1015735"	807.281876	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2ACN+H"	83.060376
"1539208"	808.275508	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+IsoProp+Na+H"	84.054008
"999217"	404.144576	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+2ACN+2H"	84.067652
"1591533"	809.190128	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+K+HCOOH"	84.968628
"1423756"	839.221638	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+H+CF3COOH"	115.000138
"1159513"	424.657851	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+3ACN+2H"	125.094202
"1707973"	856.248185	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+NH4+CF3COOH"	132.026685
"1642531"	861.20358	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+Na+CF3COOH"	136.98208
"1580368"	877.17752	"C15582"	"Flavonol 3-O-beta-D-glucosyl-(1-2)-beta-D-glucosyl-(1-2)-beta-D-glucoside"	"C33H40O18"	"724.2215"	"M+K+CF3COOH"	152.95602
"814020"	136.0524	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M"	0
"987550"	117.03401	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"78321"	89.694324	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"514263"	135.045124	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"894618"	44.343524	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"12827"	135.045124	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"449106"	203.071324	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"830682"	67.018924	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"91275"	271.097524	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"533148"	407.149924	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"908642"	135.045124	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"61803"	288.124071	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"500630"	424.176471	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"879162"	152.071671	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"39164"	293.079466	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"482002"	429.131866	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"848751"	157.027066	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1618687"	157.027066	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"94728"	153.033463	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"534384"	221.059663	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"933848"	85.007263	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"277874"	307.074202	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"672119"	443.126602	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1283793"	171.021802	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"25257"	309.053406	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"462630"	445.105806	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"840431"	173.001006	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1569022"	173.001006	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"953990"	181.050594	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"374393"	317.103001	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"352809"	331.118651	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1502733"	195.066251	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"971004"	203.032551	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"114812"	171.021802	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"561669"	239.048002	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1034844"	102.995602	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1254421"	214.971285	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1313950"	217.027272	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1331445"	239.009229	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"923596"	249.037986	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1295932"	285.014664	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1378103"	101.039724	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1388308"	119.0497	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"289090"	273.112076	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"683701"	409.164476	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1362238"	137.059676	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"129657"	137.059676	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"569218"	205.085876	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1040569"	69.033476	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"206401"	91.708876	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"646692"	137.059676	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1174542"	46.358076	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"431252"	290.138623	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"797713"	426.191023	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1686391"	154.086223	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"341232"	145.5729495	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"735478"	213.5991495	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1484192"	77.5467495	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"398498"	295.094018	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"757306"	431.146418	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1606498"	159.041618	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"324191"	148.050647	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"717707"	216.076847	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1475178"	80.024447	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1067329"	53.68539	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1269736"	169.085886	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"391227"	311.067958	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"750399"	447.120358	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1546983"	175.015558	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"304157"	156.037617	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"696581"	224.063817	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1450402"	88.011417	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"239003"	314.138626	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1217177"	178.086226	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1206164"	89.546751	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"196118"	317.07596	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"635678"	453.12836	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1138090"	181.02356	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"180287"	159.041618	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"616934"	227.067818	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1119711"	91.015418	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1406890"	61.012704	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1441194"	183.065146	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"229796"	164.07464	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1520777"	197.11719	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"419734"	167.028588	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"778542"	235.054788	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1675965"	99.002388	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"255925"	336.120568	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1230820"	200.068168	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1721893"	200.091693	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1188341"	68.340018	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1656051"	205.047088	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"161823"	349.02384	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"612572"	485.07624	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1098785"	212.97144	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"156819"	175.015558	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"596623"	243.041758	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1082829"	106.989358	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1106559"	214.985992	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1344034"	215.073607	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1015845"	219.112776	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1536159"	220.106408	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"999327"	110.060026	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1591644"	221.021028	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1420586"	251.052538	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1154156"	130.573301	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1708084"	268.079085	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1648838"	273.03448	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1577198"	289.00842	"C15583"	"Phenyl acetate"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"815223"	94.0419	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M"	0
"986569"	75.02351	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-H2O-H"	-19.01839
"78013"	61.687324	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M-3H"	-3.021828
"517295"	93.034624	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M-3H"	-3.021828
"894733"	30.340024	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-3H"	-3.021828
"14038"	93.034624	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M-2H"	-2.014552
"455052"	140.055574	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M-2H"	-2.014552
"831762"	46.013674	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-2H"	-2.014552
"91393"	187.076524	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M-H"	-1.007276
"530953"	281.118424	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M-H"	-1.007276
"909846"	93.034624	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-H"	-1.007276
"61667"	204.103071	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M-2H+NH4"	16.019271
"501960"	298.144971	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M-2H+NH4"	16.019271
"878785"	110.061171	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-2H+NH4"	16.019271
"37449"	209.058466	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M-2H+Na"	20.974666
"482113"	303.100366	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M-2H+Na"	20.974666
"855906"	115.016566	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-2H+Na"	20.974666
"1624346"	115.016566	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Na-2H"	20.974666
"94598"	111.022963	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M-H+Cl"	33.962126
"534682"	158.043913	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M-H+Cl"	33.962126
"935051"	64.002013	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-H+Cl"	33.962126
"277984"	223.053202	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+Cl"	34.969402
"669313"	317.095102	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+Cl"	34.969402
"1280623"	129.011302	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Cl"	34.969402
"25367"	225.032406	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M-2H+K"	36.948606
"462740"	319.074306	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M-2H+K"	36.948606
"843821"	130.990506	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-2H+K"	36.948606
"1569132"	130.990506	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+K-2H"	36.948606
"956287"	139.040094	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-H+HCOOH"	44.998194
"374503"	233.082001	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+HCOOH-H"	44.998201
"356199"	247.097651	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+Hac-H"	59.013851
"1499563"	153.055751	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Hac-H"	59.013851
"972451"	161.022051	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-H+NaCOOH"	66.980151
"116015"	129.011302	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+2Cl"	69.938804
"562507"	176.032252	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+2Cl"	69.938804
"1034588"	81.990352	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2Cl"	69.938804
"1254166"	172.960785	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Br"	78.918885
"1317709"	175.016772	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Cl+HCOOH"	80.974872
"1334108"	196.998729	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Cl+NaCOOH"	102.956829
"921155"	207.027486	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M-H+CF3COOH"	112.985586
"1296042"	243.004164	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Cl+CF3COOH"	148.962264
"1378213"	59.029224	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H-2H2O"	-35.012676
"1391698"	77.0392	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H-H2O"	-17.0027
"289200"	189.091076	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+H"	1.007276
"682718"	283.132976	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+H"	1.007276
"1361984"	95.049176	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H"	1.007276
"129038"	95.049176	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+2H"	2.014552
"569328"	142.070126	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+2H"	2.014552
"1040679"	48.028226	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2H"	2.014552
"209308"	63.701876	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+3H"	3.021828
"653245"	95.049176	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+3H"	3.021828
"1174290"	32.354576	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+3H"	3.021828
"430269"	206.117623	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+NH4"	18.033823
"796730"	300.159523	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+NH4"	18.033823
"1686501"	112.075723	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+NH4"	18.033823
"338062"	103.5624495	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+H+NH4"	19.041099
"736680"	150.5833995	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+H+NH4"	19.041099
"1483209"	56.5414995	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H+NH4"	19.041099
"398608"	211.073018	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+Na"	22.989218
"757416"	305.114918	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+Na"	22.989218
"1607701"	117.031118	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Na"	22.989218
"324301"	106.040147	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+H+Na"	23.996494
"716724"	153.061097	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+H+Na"	23.996494
"1474559"	59.019197	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H+Na"	23.996494
"1065981"	39.68189	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2H+Na"	25.00377
"1270210"	127.075386	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+CH3OH+H"	33.033486
"391336"	227.046958	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+K"	38.963158
"749416"	321.088858	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+K"	38.963158
"1548186"	133.005058	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+K"	38.963158
"305361"	114.027117	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+H+K"	39.970434
"697784"	161.048067	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+H+K"	39.970434
"1451605"	67.006167	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H+K"	39.970434
"242393"	230.117626	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+ACN+H"	42.033826
"1218380"	136.075726	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+ACN+H"	42.033826
"1206274"	68.541501	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+ACN+2H"	43.041102
"199509"	233.05496	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+2Na-H"	44.97116
"639069"	327.09686	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+2Na-H"	44.97116
"1138200"	139.01306	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2Na-H"	44.97116
"178210"	117.031118	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+2Na"	45.978436
"619960"	164.052068	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+2Na"	45.978436
"1120186"	70.010168	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2Na"	45.978436
"1407000"	47.009204	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H+2Na"	46.985712
"1442397"	141.054646	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H+HCOOH"	47.012746
"230999"	122.06414	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+3H2O+2H"	56.04448
"1520887"	155.10669	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+IsoProp+H"	61.06479
"420938"	125.018088	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+Na+K"	61.952376
"780839"	172.039038	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+Na+K"	61.952376
"1676076"	77.997138	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Na+K"	61.952376
"262232"	252.099568	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+ACN+Na"	64.015768
"1234210"	158.057668	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+ACN+Na"	64.015768
"1720912"	158.081193	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+NH4+HCOOH"	64.039293
"1186265"	54.336518	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+3Na"	68.967654
"1656161"	163.036588	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Na+HCOOH"	68.994688
"159747"	265.00284	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+2K-H"	76.91904
"612283"	359.04474	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+2K-H"	76.91904
"1098656"	170.96094	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2K-H"	76.91904
"156204"	133.005058	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"2M+2K"	77.926316
"596736"	180.026008	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"3M+2K"	77.926316
"1084174"	85.984108	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2K"	77.926316
"1108855"	172.975492	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2K+H"	78.933592
"1343051"	173.063107	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+DMSO+H"	79.021207
"1015955"	177.102276	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2ACN+H"	83.060376
"1536269"	178.095908	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+IsoProp+Na+H"	84.054008
"1002717"	89.054776	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+2ACN+2H"	84.067652
"1592847"	179.010528	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+K+HCOOH"	84.968628
"1414538"	209.042038	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+H+CF3COOH"	115.000138
"1154266"	109.568051	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+3ACN+2H"	125.094202
"1710748"	226.068585	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+NH4+CF3COOH"	132.026685
"1648950"	231.02398	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+Na+CF3COOH"	136.98208
"1583869"	246.99792	"C15584"	"Phenol"	"C6H6O"	"94.0419"	"M+K+CF3COOH"	152.95602
"814241"	252.0859	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M"	0
"985588"	233.06751	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-H2O-H"	-19.01839
"78132"	167.049990666667	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M-3H"	-3.021828
"517767"	251.078624	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M-3H"	-3.021828
"895248"	83.0213573333333	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-3H"	-3.021828
"14878"	251.078624	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M-2H"	-2.014552
"454800"	377.121574	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M-2H"	-2.014552
"831753"	125.035674	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-2H"	-2.014552
"92592"	503.164524	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M-H"	-1.007276
"532031"	755.250424	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M-H"	-1.007276
"908860"	251.078624	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-H"	-1.007276
"61777"	520.191071	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M-2H+NH4"	16.019271
"502311"	772.276971	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M-2H+NH4"	16.019271
"879916"	268.105171	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-2H+NH4"	16.019271
"41935"	525.146466	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M-2H+Na"	20.974666
"480404"	777.232366	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M-2H+Na"	20.974666
"857111"	273.060566	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-2H+Na"	20.974666
"1622275"	273.060566	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Na-2H"	20.974666
"95884"	269.066963	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M-H+Cl"	33.962126
"540554"	395.109913	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M-H+Cl"	33.962126
"939539"	143.024013	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-H+Cl"	33.962126
"278096"	539.141202	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+Cl"	34.969402
"671981"	791.227102	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+Cl"	34.969402
"1285842"	287.055302	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Cl"	34.969402
"29126"	541.120406	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M-2H+K"	36.948606
"466130"	793.206306	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M-2H+K"	36.948606
"845754"	289.034506	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-2H+K"	36.948606
"1570907"	289.034506	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+K-2H"	36.948606
"957130"	297.084094	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-H+HCOOH"	44.998194
"375343"	549.170001	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+HCOOH-H"	44.998201
"354122"	563.185651	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+Hac-H"	59.013851
"1502953"	311.099751	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Hac-H"	59.013851
"967221"	319.066051	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-H+NaCOOH"	66.980151
"116496"	287.055302	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+2Cl"	69.938804
"560432"	413.098252	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+2Cl"	69.938804
"1031417"	161.012352	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2Cl"	69.938804
"1252818"	331.004785	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Br"	78.918885
"1316357"	333.060772	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Cl+HCOOH"	80.974872
"1329479"	355.042729	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Cl+NaCOOH"	102.956829
"918350"	365.071486	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M-H+CF3COOH"	112.985586
"1299434"	401.048164	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Cl+CF3COOH"	148.962264
"1377595"	217.073224	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H-2H2O"	-35.012676
"1391809"	235.0832	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H-H2O"	-17.0027
"295878"	505.179076	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+H"	1.007276
"680641"	757.264976	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+H"	1.007276
"1355895"	253.093176	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H"	1.007276
"129879"	253.093176	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+2H"	2.014552
"566523"	379.136126	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+2H"	2.014552
"1038601"	127.050226	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2H"	2.014552
"204796"	169.064542666667	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+3H"	3.021828
"646430"	253.093176	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+3H"	3.021828
"1168201"	85.0359093333333	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+3H"	3.021828
"433660"	522.205623	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+NH4"	18.033823
"793560"	774.291523	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+NH4"	18.033823
"1688798"	270.119723	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+NH4"	18.033823
"340357"	261.6064495	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+H+NH4"	19.041099
"727311"	387.6493995	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+H+NH4"	19.041099
"1484412"	135.5634995	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H+NH4"	19.041099
"402000"	527.161018	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+Na"	22.989218
"761901"	779.246918	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+Na"	22.989218
"1606718"	275.075118	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Na"	22.989218
"327330"	264.084147	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+H+Na"	23.996494
"721221"	390.127097	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+H+Na"	23.996494
"1476935"	138.041197	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H+Na"	23.996494
"1068443"	92.3632233333333	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2H+Na"	25.00377
"1272595"	285.119386	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+CH3OH+H"	33.033486
"392791"	543.134958	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+K"	38.963158
"750620"	795.220858	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+K"	38.963158
"1553765"	291.049058	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+K"	38.963158
"310940"	272.071117	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+H+K"	39.970434
"698992"	398.114067	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+H+K"	39.970434
"1452811"	146.028167	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H+K"	39.970434
"242505"	546.205626	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+ACN+H"	42.033826
"1215577"	294.119726	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+ACN+H"	42.033826
"1204197"	147.563501	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+ACN+2H"	43.041102
"194153"	549.14296	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+2Na-H"	44.97116
"634808"	801.22886	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+2Na-H"	44.97116
"1139404"	297.05706	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2Na-H"	44.97116
"180513"	275.075118	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+2Na"	45.978436
"618615"	401.118068	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+2Na"	45.978436
"1127964"	149.032168	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2Na"	45.978436
"1409303"	99.6905373333333	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H+2Na"	46.985712
"1442510"	299.098646	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H+HCOOH"	47.012746
"234518"	280.10814	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+3H2O+2H"	56.04448
"1521364"	313.15069	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+IsoProp+H"	61.06479
"423601"	283.062088	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+Na+K"	61.952376
"783866"	409.105038	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+Na+K"	61.952376
"1677280"	157.019138	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Na+K"	61.952376
"266351"	568.187568	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+ACN+Na"	64.015768
"1238698"	316.101668	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+ACN+Na"	64.015768
"1724303"	316.125193	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+NH4+HCOOH"	64.039293
"1185286"	107.017851333333	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+3Na"	68.967654
"1663568"	321.080588	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Na+HCOOH"	68.994688
"172378"	581.09084	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+2K-H"	76.91904
"612145"	833.17674	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+2K-H"	76.91904
"1099572"	329.00494	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2K-H"	76.91904
"156635"	291.049058	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"2M+2K"	77.926316
"596920"	417.092008	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"3M+2K"	77.926316
"1081224"	165.006108	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2K"	77.926316
"1108964"	331.019492	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2K+H"	78.933592
"1340973"	331.107107	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+DMSO+H"	79.021207
"1010599"	335.146276	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2ACN+H"	83.060376
"1535286"	336.139908	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+IsoProp+Na+H"	84.054008
"992987"	168.076776	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+2ACN+2H"	84.067652
"1596241"	337.054528	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+K+HCOOH"	84.968628
"1428833"	367.086038	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+H+CF3COOH"	115.000138
"1157662"	188.590051	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+3ACN+2H"	125.094202
"1709399"	384.112585	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+NH4+CF3COOH"	132.026685
"1642861"	389.06798	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+Na+CF3COOH"	136.98208
"1573045"	405.04192	"C15586"	"N-D-Ribosylpurine;Purine nucleoside;Purine ribonucleoside"	"C10H12N4O4"	"252.0859"	"M+K+CF3COOH"	152.95602
"811068"	120.0436	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M"	0
"989635"	101.02521	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-H2O-H"	-19.01839
"78242"	79.0217906666667	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M-3H"	-3.021828
"518250"	119.036324	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M-3H"	-3.021828
"895277"	39.0072573333333	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-3H"	-3.021828
"14991"	119.036324	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M-2H"	-2.014552
"455032"	179.058124	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M-2H"	-2.014552
"831624"	59.014524	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-2H"	-2.014552
"92587"	239.079924	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M-H"	-1.007276
"530812"	359.123524	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M-H"	-1.007276
"909704"	119.036324	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-H"	-1.007276
"61768"	256.106471	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M-2H+NH4"	16.019271
"502059"	376.150071	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M-2H+NH4"	16.019271
"879617"	136.062871	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-2H+NH4"	16.019271
"45329"	261.061866	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M-2H+Na"	20.974666
"484890"	381.105466	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M-2H+Na"	20.974666
"858316"	141.018266	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-2H+Na"	20.974666
"1625663"	141.018266	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Na-2H"	20.974666
"97088"	137.024663	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M-H+Cl"	33.962126
"541757"	197.046463	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M-H+Cl"	33.962126
"939649"	77.002863	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-H+Cl"	33.962126
"277113"	275.056602	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+Cl"	34.969402
"671363"	395.100202	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+Cl"	34.969402
"1285224"	155.013002	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Cl"	34.969402
"30205"	277.035806	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M-2H+K"	36.948606
"465147"	397.079406	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M-2H+K"	36.948606
"845864"	156.992206	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-2H+K"	36.948606
"1571101"	156.992206	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+K-2H"	36.948606
"957486"	165.041794	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-H+HCOOH"	44.998194
"375821"	285.085401	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+HCOOH-H"	44.998201
"358971"	299.101051	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+Hac-H"	59.013851
"1505250"	179.057451	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Hac-H"	59.013851
"969518"	187.023751	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-H+NaCOOH"	66.980151
"119523"	155.013002	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+2Cl"	69.938804
"561270"	215.034802	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+2Cl"	69.938804
"1026791"	94.991202	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2Cl"	69.938804
"1249651"	198.962485	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Br"	78.918885
"1315014"	201.018472	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Cl+HCOOH"	80.974872
"1333600"	223.000429	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Cl+NaCOOH"	102.956829
"922834"	233.029186	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M-H+CF3COOH"	112.985586
"1303919"	269.005864	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Cl+CF3COOH"	148.962264
"1382083"	85.030924	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H-2H2O"	-35.012676
"1394106"	103.0409	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H-H2O"	-17.0027
"297446"	241.094476	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+H"	1.007276
"684032"	361.138076	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+H"	1.007276
"1358191"	121.050876	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H"	1.007276
"133999"	121.050876	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+2H"	2.014552
"569550"	181.072676	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+2H"	2.014552
"1040535"	61.029076	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2H"	2.014552
"210624"	81.0363426666667	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+3H"	3.021828
"655290"	121.050876	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+3H"	3.021828
"1170499"	41.0218093333333	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+3H"	3.021828
"435593"	258.121023	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+NH4"	18.033823
"794767"	378.164623	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+NH4"	18.033823
"1692556"	138.077423	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+NH4"	18.033823
"342657"	129.5641495	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+H+NH4"	19.041099
"734348"	189.5859495	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+H+NH4"	19.041099
"1490721"	69.5423495	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H+NH4"	19.041099
"406853"	263.076418	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+Na"	22.989218
"766387"	383.120018	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+Na"	22.989218
"1613393"	143.032818	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Na"	22.989218
"325618"	132.041847	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+H+Na"	23.996494
"720604"	192.063647	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+H+Na"	23.996494
"1476128"	72.020047	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H+Na"	23.996494
"1068321"	48.3491233333333	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2H+Na"	25.00377
"1272730"	153.077086	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+CH3OH+H"	33.033486
"392732"	279.050358	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+K"	38.963158
"754106"	399.093958	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+K"	38.963158
"1555057"	159.006758	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+K"	38.963158
"312878"	140.028817	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+H+K"	39.970434
"700196"	200.050617	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+H+K"	39.970434
"1455108"	80.007017	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H+K"	39.970434
"242616"	282.121026	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+ACN+H"	42.033826
"1215323"	162.077426	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+ACN+H"	42.033826
"1202483"	81.542351	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+ACN+2H"	43.041102
"194627"	285.05836	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+2Na-H"	44.97116
"634918"	405.10196	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+2Na-H"	44.97116
"1137331"	165.01476	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2Na-H"	44.97116
"181719"	143.032818	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+2Na"	45.978436
"617268"	203.054618	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+2Na"	45.978436
"1129903"	83.011018	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2Na"	45.978436
"1413672"	55.6764373333333	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H+2Na"	46.985712
"1444084"	167.056346	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H+HCOOH"	47.012746
"235506"	148.06584	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+3H2O+2H"	56.04448
"1523302"	181.10839	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+IsoProp+H"	61.06479
"424185"	151.019788	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+Na+K"	61.952376
"785591"	211.041588	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+Na+K"	61.952376
"1681199"	90.997988	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Na+K"	61.952376
"265734"	304.102968	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+ACN+Na"	64.015768
"1241120"	184.059368	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+ACN+Na"	64.015768
"1728100"	184.082893	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+NH4+HCOOH"	64.039293
"1185398"	63.0037513333333	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+3Na"	68.967654
"1660762"	189.038288	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Na+HCOOH"	68.994688
"172011"	317.00624	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+2K-H"	76.91904
"610357"	437.04984	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+2K-H"	76.91904
"1098998"	196.96264	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2K-H"	76.91904
"156057"	159.006758	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"2M+2K"	77.926316
"596467"	219.028558	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"3M+2K"	77.926316
"1079149"	98.984958	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2K"	77.926316
"1110169"	198.977192	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2K+H"	78.933592
"1339993"	199.064807	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+DMSO+H"	79.021207
"1012896"	203.103976	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2ACN+H"	83.060376
"1535396"	204.097608	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+IsoProp+Na+H"	84.054008
"995286"	102.055626	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+2ACN+2H"	84.067652
"1596351"	205.012228	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+K+HCOOH"	84.968628
"1427479"	235.043738	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+H+CF3COOH"	115.000138
"1157772"	122.568901	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+3ACN+2H"	125.094202
"1710242"	252.070285	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+NH4+CF3COOH"	132.026685
"1648077"	257.02568	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+Na+CF3COOH"	136.98208
"1580810"	272.99962	"C15587"	"Purine;Purine base"	"C5H4N4"	"120.0436"	"M+K+CF3COOH"	152.95602
"810085"	62.0368	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M"	0
"989771"	43.01841	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-H2O-H"	-19.01839
"77703"	40.3505906666667	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M-3H"	-3.021828
"518196"	61.029524	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M-3H"	-3.021828
"895616"	19.6716573333333	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-3H"	-3.021828
"15659"	61.029524	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M-2H"	-2.014552
"453925"	92.047924	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M-2H"	-2.014552
"831006"	30.011124	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-2H"	-2.014552
"90635"	123.066324	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M-H"	-1.007276
"530558"	185.103124	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M-H"	-1.007276
"909817"	61.029524	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-H"	-1.007276
"62790"	140.092871	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M-2H+NH4"	16.019271
"502498"	202.129671	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M-2H+NH4"	16.019271
"879240"	78.056071	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-2H+NH4"	16.019271
"45804"	145.048266	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M-2H+Na"	20.974666
"482813"	207.085066	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M-2H+Na"	20.974666
"859519"	83.011466	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-2H+Na"	20.974666
"1625772"	83.011466	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Na-2H"	20.974666
"101207"	79.017863	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M-H+Cl"	33.962126
"539676"	110.036263	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M-H+Cl"	33.962126
"939759"	47.999463	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-H+Cl"	33.962126
"279046"	159.043002	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+Cl"	34.969402
"671836"	221.079802	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+Cl"	34.969402
"1286061"	97.006202	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Cl"	34.969402
"29707"	161.022206	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M-2H+K"	36.948606
"467809"	223.059006	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M-2H+K"	36.948606
"845974"	98.985406	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-2H+K"	36.948606
"1571094"	98.985406	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+K-2H"	36.948606
"956617"	107.034994	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-H+HCOOH"	44.998194
"375811"	169.071801	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+HCOOH-H"	44.998201
"360905"	183.087451	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+Hac-H"	59.013851
"1504268"	121.050651	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Hac-H"	59.013851
"967435"	129.016951	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-H+NaCOOH"	66.980151
"121458"	97.006202	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+2Cl"	69.938804
"561383"	128.024602	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+2Cl"	69.938804
"1031278"	65.987802	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2Cl"	69.938804
"1253773"	140.955685	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Br"	78.918885
"1315490"	143.011672	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Cl+HCOOH"	80.974872
"1333710"	164.993629	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Cl+NaCOOH"	102.956829
"922944"	175.022386	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M-H+CF3COOH"	112.985586
"1303300"	210.999064	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Cl+CF3COOH"	148.962264
"1380732"	27.024124	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H-2H2O"	-35.012676
"1393123"	45.0341	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H-H2O"	-17.0027
"298165"	125.080876	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+H"	1.007276
"688881"	187.117676	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+H"	1.007276
"1358303"	63.044076	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H"	1.007276
"134473"	63.044076	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+2H"	2.014552
"568567"	94.062476	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+2H"	2.014552
"1039916"	32.025676	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2H"	2.014552
"210734"	42.3651426666667	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+3H"	3.021828
"656492"	63.044076	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+3H"	3.021828
"1171702"	21.6862093333333	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+3H"	3.021828
"432787"	142.107423	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+NH4"	18.033823
"794877"	204.144223	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+NH4"	18.033823
"1691936"	80.070623	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+NH4"	18.033823
"340215"	71.5573495	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+H+NH4"	19.041099
"733729"	102.5757495	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+H+NH4"	19.041099
"1487916"	40.5389495	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H+NH4"	19.041099
"407450"	147.062818	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+Na"	22.989218
"765404"	209.099618	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+Na"	22.989218
"1614597"	85.026018	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Na"	22.989218
"328523"	74.035047	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+H+Na"	23.996494
"722748"	105.053447	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+H+Na"	23.996494
"1476973"	43.016647	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H+Na"	23.996494
"1068264"	29.0135233333333	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2H+Na"	25.00377
"1272124"	95.070286	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+CH3OH+H"	33.033486
"391674"	163.036758	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+K"	38.963158
"754011"	225.073558	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+K"	38.963158
"1554719"	100.999958	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+K"	38.963158
"313715"	82.022017	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+H+K"	39.970434
"703586"	113.040417	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+H+K"	39.970434
"1456312"	51.003617	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H+K"	39.970434
"242726"	166.107426	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+ACN+H"	42.033826
"1216526"	104.070626	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+ACN+H"	42.033826
"1201501"	52.538951	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+ACN+2H"	43.041102
"193645"	169.04476	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+2Na-H"	44.97116
"635028"	231.08156	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+2Na-H"	44.97116
"1139627"	107.00796	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2Na-H"	44.97116
"180728"	85.026018	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+2Na"	45.978436
"616648"	116.044418	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+2Na"	45.978436
"1131152"	54.007618	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2Na"	45.978436
"1413867"	36.3408373333333	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H+2Na"	46.985712
"1444882"	109.049546	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H+HCOOH"	47.012746
"234979"	90.05904	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+3H2O+2H"	56.04448
"1522930"	123.10159	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+IsoProp+H"	61.06479
"424225"	93.012988	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+Na+K"	61.952376
"785573"	124.031388	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+Na+K"	61.952376
"1681224"	61.994588	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Na+K"	61.952376
"265844"	188.089368	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+ACN+Na"	64.015768
"1238918"	126.052568	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+ACN+Na"	64.015768
"1727682"	126.076093	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+NH4+HCOOH"	64.039293
"1185509"	43.6681513333333	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+3Na"	68.967654
"1663059"	131.031488	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Na+HCOOH"	68.994688
"171391"	200.99264	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+2K-H"	76.91904
"609859"	263.02944	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+2K-H"	76.91904
"1097896"	138.95584	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2K-H"	76.91904
"156411"	100.999958	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"2M+2K"	77.926316
"596822"	132.018358	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"3M+2K"	77.926316
"1083635"	69.981558	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2K"	77.926316
"1112466"	140.970392	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2K+H"	78.933592
"1342290"	141.058007	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+DMSO+H"	79.021207
"1013006"	145.097176	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2ACN+H"	83.060376
"1535506"	146.090808	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+IsoProp+Na+H"	84.054008
"995396"	73.052226	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+2ACN+2H"	84.067652
"1596461"	147.005428	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+K+HCOOH"	84.968628
"1426496"	177.036938	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+H+CF3COOH"	115.000138
"1157883"	93.565501	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+3ACN+2H"	125.094202
"1710716"	194.063485	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+NH4+CF3COOH"	132.026685
"1648917"	199.01888	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+Na+CF3COOH"	136.98208
"1580920"	214.99282	"C15588"	"Glycol"	"C2H6O2"	"62.0368"	"M+K+CF3COOH"	152.95602
"810195"	208.0888	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M"	0
"983728"	189.07041	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-H2O-H"	-19.01839
"77564"	137.718590666667	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M-3H"	-3.021828
"518226"	207.081524	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M-3H"	-3.021828
"895491"	68.3556573333333	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-3H"	-3.021828
"12286"	207.081524	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M-2H"	-2.014552
"453914"	311.125924	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M-2H"	-2.014552
"831483"	103.037124	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-2H"	-2.014552
"93296"	415.170324	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M-H"	-1.007276
"533335"	623.259124	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M-H"	-1.007276
"908838"	207.081524	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-H"	-1.007276
"62113"	432.196871	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M-2H+NH4"	16.019271
"501425"	640.285671	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M-2H+NH4"	16.019271
"878741"	224.108071	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-2H+NH4"	16.019271
"46157"	437.152266	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M-2H+Na"	20.974666
"484015"	645.241066	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M-2H+Na"	20.974666
"860722"	229.063466	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-2H+Na"	20.974666
"1626974"	229.063466	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Na-2H"	20.974666
"100224"	225.069863	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M-H+Cl"	33.962126
"541972"	329.114263	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M-H+Cl"	33.962126
"937682"	121.025463	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-H+Cl"	33.962126
"278792"	451.147002	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+Cl"	34.969402
"673040"	659.235802	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+Cl"	34.969402
"1285078"	243.058202	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Cl"	34.969402
"27994"	453.126206	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M-2H+K"	36.948606
"466460"	661.215006	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M-2H+K"	36.948606
"845720"	245.037406	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-2H+K"	36.948606
"1569578"	245.037406	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+K-2H"	36.948606
"956727"	253.086994	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-H+HCOOH"	44.998194
"373120"	461.175801	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+HCOOH-H"	44.998201
"360773"	475.191451	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+Hac-H"	59.013851
"1505107"	267.102651	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Hac-H"	59.013851
"970827"	275.068951	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-H+NaCOOH"	66.980151
"124120"	243.058202	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+2Cl"	69.938804
"563315"	347.102602	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+2Cl"	69.938804
"1031389"	139.013802	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2Cl"	69.938804
"1252059"	287.007685	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Br"	78.918885
"1314507"	289.063672	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Cl+HCOOH"	80.974872
"1334185"	311.045629	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Cl+NaCOOH"	102.956829
"918680"	321.074386	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M-H+CF3COOH"	112.985586
"1300494"	357.051064	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Cl+CF3COOH"	148.962264
"1379017"	173.076124	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H-2H2O"	-35.012676
"1392139"	191.0861	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H-H2O"	-17.0027
"298389"	417.184876	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+H"	1.007276
"684252"	625.273676	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+H"	1.007276
"1355132"	209.096076	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H"	1.007276
"134583"	209.096076	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+2H"	2.014552
"568677"	313.140476	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+2H"	2.014552
"1038932"	105.051676	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2H"	2.014552
"210844"	139.733142666667	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+3H"	3.021828
"651499"	209.096076	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+3H"	3.021828
"1169624"	70.3702093333333	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+3H"	3.021828
"432895"	434.211423	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+NH4"	18.033823
"793892"	642.300223	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+NH4"	18.033823
"1688035"	226.122623	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+NH4"	18.033823
"338501"	217.6093495	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+H+NH4"	19.041099
"732016"	321.6537495	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+H+NH4"	19.041099
"1485839"	113.5649495	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H+NH4"	19.041099
"407314"	439.166818	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+Na"	22.989218
"764420"	647.255618	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+Na"	22.989218
"1612520"	231.078018	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Na"	22.989218
"328390"	220.087047	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+H+Na"	23.996494
"722581"	324.131447	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+H+Na"	23.996494
"1476916"	116.042647	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H+Na"	23.996494
"1067763"	77.6975233333333	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2H+Na"	25.00377
"1271871"	241.122286	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+CH3OH+H"	33.033486
"392027"	455.140758	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+K"	38.963158
"753386"	663.229558	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+K"	38.963158
"1553369"	247.051958	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+K"	38.963158
"312976"	228.074017	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+H+K"	39.970434
"703696"	332.118417	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+H+K"	39.970434
"1457151"	124.029617	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H+K"	39.970434
"243929"	458.211426	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+ACN+H"	42.033826
"1217365"	250.122626	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+ACN+H"	42.033826
"1202706"	125.564951	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+ACN+2H"	43.041102
"195576"	461.14876	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+2Na-H"	44.97116
"636231"	669.23756	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+2Na-H"	44.97116
"1140830"	253.05996	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2Na-H"	44.97116
"181931"	231.078018	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+2Na"	45.978436
"618944"	335.122418	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+2Na"	45.978436
"1131292"	127.033618	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2Na"	45.978436
"1413899"	85.0248373333333	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H+2Na"	46.985712
"1444304"	255.101546	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H+HCOOH"	47.012746
"234361"	236.11104	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+3H2O+2H"	56.04448
"1522797"	269.15359	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+IsoProp+H"	61.06479
"423205"	239.064988	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+Na+K"	61.952376
"785175"	343.109388	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+Na+K"	61.952376
"1680900"	135.020588	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Na+K"	61.952376
"266077"	480.193368	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+ACN+Na"	64.015768
"1239636"	272.104568	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+ACN+Na"	64.015768
"1727307"	272.128093	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+NH4+HCOOH"	64.039293
"1189989"	92.3521513333333	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+3Na"	68.967654
"1663169"	277.083488	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Na+HCOOH"	68.994688
"171502"	493.09664	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+2K-H"	76.91904
"611429"	701.18544	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+2K-H"	76.91904
"1099792"	285.00784	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2K-H"	76.91904
"156280"	247.051958	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"2M+2K"	77.926316
"596938"	351.096358	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"3M+2K"	77.926316
"1083584"	143.007558	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2K"	77.926316
"1112576"	287.022392	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2K+H"	78.933592
"1342400"	287.110007	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+DMSO+H"	79.021207
"1013116"	291.149176	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2ACN+H"	83.060376
"1532336"	292.142808	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+IsoProp+Na+H"	84.054008
"995506"	146.078226	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+2ACN+2H"	84.067652
"1596571"	293.057428	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+K+HCOOH"	84.968628
"1426606"	323.088938	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+H+CF3COOH"	115.000138
"1161273"	166.591501	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+3ACN+2H"	125.094202
"1710463"	340.115485	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+NH4+CF3COOH"	132.026685
"1648662"	345.07088	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+Na+CF3COOH"	136.98208
"1581030"	361.04482	"C15589"	"Chalcone"	"C15H12O"	"208.0888"	"M+K+CF3COOH"	152.95602
"813588"	346.1053	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M"	0
"989560"	327.08691	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-H2O-H"	-19.01839
"73177"	229.729590666667	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M-3H"	-3.021828
"516747"	345.098024	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M-3H"	-3.021828
"895164"	114.361157333333	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-3H"	-3.021828
"14225"	345.098024	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M-2H"	-2.014552
"454392"	518.150674	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M-2H"	-2.014552
"831462"	172.045374	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-2H"	-2.014552
"90491"	691.203324	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M-H"	-1.007276
"531137"	1037.308624	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M-H"	-1.007276
"908576"	345.098024	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-H"	-1.007276
"60035"	708.229871	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M-2H+NH4"	16.019271
"500199"	1054.335171	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M-2H+NH4"	16.019271
"877518"	362.124571	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-2H+NH4"	16.019271
"43469"	713.185266	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M-2H+Na"	20.974666
"473192"	1059.290566	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M-2H+Na"	20.974666
"849900"	367.079966	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-2H+Na"	20.974666
"1624901"	367.079966	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Na-2H"	20.974666
"100338"	363.086363	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M-H+Cl"	33.962126
"546834"	536.139013	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M-H+Cl"	33.962126
"940349"	190.033713	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-H+Cl"	33.962126
"279636"	727.180002	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+Cl"	34.969402
"671692"	1073.285302	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+Cl"	34.969402
"1282272"	381.074702	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Cl"	34.969402
"25918"	729.159206	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M-2H+K"	36.948606
"467668"	1075.264506	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M-2H+K"	36.948606
"845472"	383.053906	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-2H+K"	36.948606
"1567862"	383.053906	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+K-2H"	36.948606
"948090"	391.103494	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-H+HCOOH"	44.998194
"370681"	737.208801	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+HCOOH-H"	44.998201
"358573"	751.224451	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+Hac-H"	59.013851
"1498295"	405.119151	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Hac-H"	59.013851
"969855"	413.085451	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-H+NaCOOH"	66.980151
"122406"	381.074702	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+2Cl"	69.938804
"561604"	554.127352	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+2Cl"	69.938804
"1031495"	208.022052	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2Cl"	69.938804
"1253991"	425.024185	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Br"	78.918885
"1315346"	427.080172	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Cl+HCOOH"	80.974872
"1330650"	449.062129	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Cl+NaCOOH"	102.956829
"922075"	459.090886	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M-H+CF3COOH"	112.985586
"1299511"	495.067564	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Cl+CF3COOH"	148.962264
"1374755"	311.092624	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H-2H2O"	-35.012676
"1397361"	329.1026	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H-H2O"	-17.0027
"295954"	693.217876	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+H"	1.007276
"683271"	1039.323176	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+H"	1.007276
"1359619"	347.112576	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H"	1.007276
"133967"	347.112576	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+2H"	2.014552
"577901"	520.165226	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+2H"	2.014552
"1046700"	174.059926	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2H"	2.014552
"216425"	231.744142666667	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+3H"	3.021828
"649423"	347.112576	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+3H"	3.021828
"1167549"	116.375709333333	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+3H"	3.021828
"428634"	710.244423	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+NH4"	18.033823
"794002"	1056.349723	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+NH4"	18.033823
"1689237"	364.139123	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+NH4"	18.033823
"338614"	355.6258495	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+H+NH4"	19.041099
"735406"	528.6784995	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+H+NH4"	19.041099
"1484856"	182.5731995	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H+NH4"	19.041099
"404630"	715.199818	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+Na"	22.989218
"761252"	1061.305118	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+Na"	22.989218
"1616888"	369.094518	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Na"	22.989218
"329247"	358.103547	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+H+Na"	23.996494
"721909"	531.156197	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+H+Na"	23.996494
"1476217"	185.050897	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H+Na"	23.996494
"1066906"	123.703023333333	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2H+Na"	25.00377
"1271500"	379.138786	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+CH3OH+H"	33.033486
"392139"	731.173758	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+K"	38.963158
"754067"	1077.279058	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+K"	38.963158
"1553726"	385.068458	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+K"	38.963158
"314159"	366.090517	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+H+K"	39.970434
"700527"	539.143167	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+H+K"	39.970434
"1452158"	193.037867	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H+K"	39.970434
"241487"	734.244426	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+ACN+H"	42.033826
"1220025"	388.139126	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+ACN+H"	42.033826
"1202818"	194.573201	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+ACN+2H"	43.041102
"201526"	737.18176	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+2Na-H"	44.97116
"639626"	1083.28706	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+2Na-H"	44.97116
"1139483"	391.07646	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2Na-H"	44.97116
"182778"	369.094518	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+2Na"	45.978436
"628466"	542.147168	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+2Na"	45.978436
"1130968"	196.041868	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2Na"	45.978436
"1413883"	131.030337333333	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H+2Na"	46.985712
"1443320"	393.118046	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H+HCOOH"	47.012746
"234476"	374.12754	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+3H2O+2H"	56.04448
"1523676"	407.17009	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+IsoProp+H"	61.06479
"423198"	377.081488	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+Na+K"	61.952376
"782489"	550.134138	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+Na+K"	61.952376
"1679914"	204.028838	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Na+K"	61.952376
"264975"	756.226368	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+ACN+Na"	64.015768
"1237682"	410.121068	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+ACN+Na"	64.015768
"1725114"	410.144593	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+NH4+HCOOH"	64.039293
"1194003"	138.357651333333	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+3Na"	68.967654
"1664386"	415.099988	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Na+HCOOH"	68.994688
"171979"	769.12964	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+2K-H"	76.91904
"612104"	1115.23494	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+2K-H"	76.91904
"1098600"	423.02434	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2K-H"	76.91904
"154689"	385.068458	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"2M+2K"	77.926316
"596070"	558.121108	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"3M+2K"	77.926316
"1083738"	212.015808	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2K"	77.926316
"1112686"	425.038892	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2K+H"	78.933592
"1346886"	425.126507	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+DMSO+H"	79.021207
"1020644"	429.165676	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2ACN+H"	83.060376
"1539139"	430.159308	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+IsoProp+Na+H"	84.054008
"1004859"	215.086476	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+2ACN+2H"	84.067652
"1599971"	431.073928	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+K+HCOOH"	84.968628
"1425628"	461.105438	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+H+CF3COOH"	115.000138
"1160657"	235.599751	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+3ACN+2H"	125.094202
"1711300"	478.131985	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+NH4+CF3COOH"	132.026685
"1646582"	483.08738	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+Na+CF3COOH"	136.98208
"1577861"	499.06132	"C15591"	"(6R)-2-Acetyl-6-(3-acetyl-246-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-24-cyclohexadien-1-one;Reduced-(S)-usnate"	"C18H18O7"	"346.1053"	"M+K+CF3COOH"	152.95602
"813705"	338.075	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M"	0
"983957"	319.05661	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-H2O-H"	-19.01839
"76571"	224.376057333333	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M-3H"	-3.021828
"511761"	337.067724	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M-3H"	-3.021828
"889562"	111.684390666667	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-3H"	-3.021828
"11417"	337.067724	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M-2H"	-2.014552
"448789"	506.105224	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M-2H"	-2.014552
"824405"	168.030224	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-2H"	-2.014552
"84401"	675.142724	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M-H"	-1.007276
"520680"	1013.217724	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M-H"	-1.007276
"897631"	337.067724	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-H"	-1.007276
"56874"	692.169271	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M-2H+NH4"	16.019271
"493519"	1030.244271	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M-2H+NH4"	16.019271
"872051"	354.094271	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-2H+NH4"	16.019271
"41409"	697.124666	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M-2H+Na"	20.974666
"478785"	1035.199666	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M-2H+Na"	20.974666
"859867"	359.049666	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-2H+Na"	20.974666
"1632560"	359.049666	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Na-2H"	20.974666
"105930"	355.056063	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M-H+Cl"	33.962126
"543301"	524.093563	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M-H+Cl"	33.962126
"934630"	186.018563	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-H+Cl"	33.962126
"274644"	711.119402	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+Cl"	34.969402
"668522"	1049.194402	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+Cl"	34.969402
"1277280"	373.044402	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Cl"	34.969402
"20930"	713.098606	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M-2H+K"	36.948606
"463411"	1051.173606	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M-2H+K"	36.948606
"835022"	375.023606	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-2H+K"	36.948606
"1562519"	375.023606	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+K-2H"	36.948606
"954776"	383.073194	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-H+HCOOH"	44.998194
"366432"	721.148201	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+HCOOH-H"	44.998201
"352502"	735.163851	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+Hac-H"	59.013851
"1496959"	397.088851	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Hac-H"	59.013851
"960853"	405.055151	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-H+NaCOOH"	66.980151
"113038"	373.044402	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+2Cl"	69.938804
"552961"	542.081902	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+2Cl"	69.938804
"1029423"	204.006902	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2Cl"	69.938804
"1255570"	416.993885	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Br"	78.918885
"1318752"	419.049872	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Cl+HCOOH"	80.974872
"1332234"	441.031829	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Cl+NaCOOH"	102.956829
"925483"	451.060586	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M-H+CF3COOH"	112.985586
"1302556"	487.037264	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Cl+CF3COOH"	148.962264
"1380961"	303.062324	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H-2H2O"	-35.012676
"1397360"	321.0723	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H-H2O"	-17.0027
"296077"	677.157276	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+H"	1.007276
"690687"	1015.232276	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+H"	1.007276
"1366673"	339.082276	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H"	1.007276
"141019"	339.082276	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+2H"	2.014552
"580904"	508.119776	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+2H"	2.014552
"1050829"	170.044776	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2H"	2.014552
"219584"	226.390609333333	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+3H"	3.021828
"657199"	339.082276	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+3H"	3.021828
"1178202"	113.698942666667	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+3H"	3.021828
"438597"	694.183823	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+NH4"	18.033823
"798869"	1032.258823	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+NH4"	18.033823
"1688275"	356.108823	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+NH4"	18.033823
"337647"	347.5955495	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+H+NH4"	19.041099
"731162"	516.6330495	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+H+NH4"	19.041099
"1486075"	178.5580495	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H+NH4"	19.041099
"404755"	699.139218	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+Na"	22.989218
"765750"	1037.214218	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+Na"	22.989218
"1617253"	361.064218	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Na"	22.989218
"324980"	350.073247	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+H+Na"	23.996494
"721046"	519.110747	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+H+Na"	23.996494
"1475595"	181.035747	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H+Na"	23.996494
"1068358"	121.026256666667	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2H+Na"	25.00377
"1271493"	371.108486	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+CH3OH+H"	33.033486
"391892"	715.113158	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+K"	38.963158
"753940"	1053.188158	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+K"	38.963158
"1552140"	377.038158	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+K"	38.963158
"308222"	358.060217	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+H+K"	39.970434
"702834"	527.097717	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+H+K"	39.970434
"1457745"	189.022717	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H+K"	39.970434
"246353"	718.183826	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+ACN+H"	42.033826
"1221251"	380.108826	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+ACN+H"	42.033826
"1206226"	190.558051	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+ACN+2H"	43.041102
"202017"	721.12116	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+2Na-H"	44.97116
"639754"	1059.19616	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+2Na-H"	44.97116
"1145082"	383.04616	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2Na-H"	44.97116
"185456"	361.064218	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+2Na"	45.978436
"622831"	530.101718	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+2Na"	45.978436
"1124149"	192.026718	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2Na"	45.978436
"1407670"	128.353570666667	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H+2Na"	46.985712
"1438695"	385.087746	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H+HCOOH"	47.012746
"228388"	366.09724	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+3H2O+2H"	56.04448
"1522294"	399.13979	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+IsoProp+H"	61.06479
"417242"	369.051188	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+Na+K"	61.952376
"783705"	538.088688	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+Na+K"	61.952376
"1672381"	200.013688	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Na+K"	61.952376
"265098"	740.165768	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+ACN+Na"	64.015768
"1238536"	402.090768	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+ACN+Na"	64.015768
"1725237"	402.114293	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+NH4+HCOOH"	64.039293
"1190955"	135.680884666667	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+3Na"	68.967654
"1661940"	407.069688	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Na+HCOOH"	68.994688
"168443"	753.06904	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+2K-H"	76.91904
"608734"	1091.14404	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+2K-H"	76.91904
"1097487"	414.99404	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2K-H"	76.91904
"156009"	377.038158	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"2M+2K"	77.926316
"595808"	546.075658	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"3M+2K"	77.926316
"1080687"	208.000658	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2K"	77.926316
"1106244"	417.008592	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2K+H"	78.933592
"1341537"	417.096207	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+DMSO+H"	79.021207
"1014440"	421.135376	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2ACN+H"	83.060376
"1527102"	422.129008	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+IsoProp+Na+H"	84.054008
"993551"	211.071326	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+2ACN+2H"	84.067652
"1592426"	423.043628	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+K+HCOOH"	84.968628
"1418083"	453.075138	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+H+CF3COOH"	115.000138
"1153843"	231.584601	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+3ACN+2H"	125.094202
"1699020"	470.101685	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+NH4+CF3COOH"	132.026685
"1643422"	475.05708	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+Na+CF3COOH"	136.98208
"1574697"	491.03102	"C15599"	"6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylate;6-(2-Amino-2-carboxyethyl)-78-dioxo-123478-hexahydroquinoline-24-dicarboxylic acid"	"C14H14N2O8"	"338.075"	"M+K+CF3COOH"	152.95602
"812724"	236.0797	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M"	0
"984069"	217.06131	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-H2O-H"	-19.01839
"73407"	156.379190666667	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M-3H"	-3.021828
"510781"	235.072424	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M-3H"	-3.021828
"882024"	77.6859573333333	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-3H"	-3.021828
"2787"	235.072424	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H"	-2.014552
"444536"	353.112274	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H"	-2.014552
"831089"	117.032574	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-2H"	-2.014552
"91693"	471.152124	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M-H"	-1.007276
"530644"	707.231824	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M-H"	-1.007276
"908935"	235.072424	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-H"	-1.007276
"58446"	488.178671	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H+NH4"	16.019271
"501055"	724.258371	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H+NH4"	16.019271
"875450"	252.098971	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-2H+NH4"	16.019271
"42619"	493.134066	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H+Na"	20.974666
"482177"	729.213766	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H+Na"	20.974666
"862411"	257.054366	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-2H+Na"	20.974666
"1632066"	257.054366	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Na-2H"	20.974666
"98385"	253.060763	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M-H+Cl"	33.962126
"547063"	371.100613	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M-H+Cl"	33.962126
"938023"	135.020913	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-H+Cl"	33.962126
"276587"	507.128802	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+Cl"	34.969402
"671199"	743.208502	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+Cl"	34.969402
"1285787"	271.049102	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl"	34.969402
"19594"	509.108006	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M-2H+K"	36.948606
"461342"	745.187706	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M-2H+K"	36.948606
"835865"	273.028306	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-2H+K"	36.948606
"1560444"	273.028306	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+K-2H"	36.948606
"942977"	281.077894	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-H+HCOOH"	44.998194
"370920"	517.157601	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+HCOOH-H"	44.998201
"350429"	531.173251	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+Hac-H"	59.013851
"1502550"	295.093551	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Hac-H"	59.013851
"964623"	303.059851	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-H+NaCOOH"	66.980151
"119001"	271.049102	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+2Cl"	69.938804
"559654"	389.088952	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+2Cl"	69.938804
"1029546"	153.009252	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2Cl"	69.938804
"1250219"	314.998585	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Br"	78.918885
"1311573"	317.054572	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl+HCOOH"	80.974872
"1333440"	339.036529	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl+NaCOOH"	102.956829
"925106"	349.065286	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M-H+CF3COOH"	112.985586
"1301575"	385.041964	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Cl+CF3COOH"	148.962264
"1379369"	201.067024	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H-2H2O"	-35.012676
"1396864"	219.077	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H-H2O"	-17.0027
"297280"	473.166676	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+H"	1.007276
"685693"	709.246376	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+H"	1.007276
"1366294"	237.086976	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H"	1.007276
"137118"	237.086976	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+2H"	2.014552
"575586"	355.126826	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+2H"	2.014552
"1045479"	119.047126	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2H"	2.014552
"207184"	158.393742666667	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+3H"	3.021828
"651847"	237.086976	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+3H"	3.021828
"1172161"	79.7005093333333	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+3H"	3.021828
"427413"	490.193223	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+NH4"	18.033823
"797523"	726.272923	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+NH4"	18.033823
"1687291"	254.113523	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+NH4"	18.033823
"342131"	245.6002495	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+H+NH4"	19.041099
"735646"	363.6400995	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+H+NH4"	19.041099
"1485091"	127.5603995	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H+NH4"	19.041099
"406325"	495.148618	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+Na"	22.989218
"765860"	731.228318	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+Na"	22.989218
"1616143"	259.068918	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Na"	22.989218
"325088"	248.077947	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+H+Na"	23.996494
"719695"	366.117797	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+H+Na"	23.996494
"1473514"	130.038097	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H+Na"	23.996494
"1058016"	87.0278233333333	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2H+Na"	25.00377
"1264068"	269.113186	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+CH3OH+H"	33.033486
"383740"	511.122558	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+K"	38.963158
"749111"	747.202258	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+K"	38.963158
"1543511"	275.042858	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+K"	38.963158
"305060"	256.064917	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+H+K"	39.970434
"702951"	374.104767	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+H+K"	39.970434
"1455678"	138.025067	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H+K"	39.970434
"242093"	514.193226	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+ACN+H"	42.033826
"1213709"	278.113526	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+ACN+H"	42.033826
"1199779"	139.560401	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+ACN+2H"	43.041102
"198113"	517.13056	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+2Na-H"	44.97116
"637679"	753.21026	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+2Na-H"	44.97116
"1137904"	281.05086	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2Na-H"	44.97116
"178277"	259.068918	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+2Na"	45.978436
"627208"	377.108768	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+2Na"	45.978436
"1128644"	141.029068	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2Na"	45.978436
"1411073"	94.3551373333333	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H+2Na"	46.985712
"1441001"	283.092446	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H+HCOOH"	47.012746
"227417"	264.10194	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+3H2O+2H"	56.04448
"1518759"	297.14449	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+IsoProp+H"	61.06479
"415163"	267.055888	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+Na+K"	61.952376
"781625"	385.095738	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+Na+K"	61.952376
"1676862"	149.016038	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Na+K"	61.952376
"263380"	536.175168	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+ACN+Na"	64.015768
"1238277"	300.095468	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+ACN+Na"	64.015768
"1727163"	300.118993	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+NH4+HCOOH"	64.039293
"1188146"	101.682451333333	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+3Na"	68.967654
"1656945"	305.074388	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Na+HCOOH"	68.994688
"164899"	549.07844	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+2K-H"	76.91904
"604104"	785.15814	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+2K-H"	76.91904
"1087887"	312.99874	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2K-H"	76.91904
"142632"	275.042858	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"2M+2K"	77.926316
"582315"	393.082708	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"3M+2K"	77.926316
"1069010"	157.003008	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2K"	77.926316
"1101132"	315.013292	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2K+H"	78.933592
"1336906"	315.100907	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+DMSO+H"	79.021207
"1010180"	319.140076	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2ACN+H"	83.060376
"1528307"	320.133708	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+IsoProp+Na+H"	84.054008
"990743"	160.073676	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+2ACN+2H"	84.067652
"1593633"	321.048328	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+K+HCOOH"	84.968628
"1425856"	351.079838	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+H+CF3COOH"	115.000138
"1150675"	180.586951	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+3ACN+2H"	125.094202
"1700226"	368.106385	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+NH4+CF3COOH"	132.026685
"1635875"	373.06178	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+Na+CF3COOH"	136.98208
"1572625"	389.03572	"C15605"	"N-Formyl-D-kynurenine"	"C11H12N2O4"	"236.0797"	"M+K+CF3COOH"	152.95602
"811740"	162.0351	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M"	0
"978711"	143.01671	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-H2O-H"	-19.01839
"76797"	107.016124	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M-3H"	-3.021828
"516358"	161.027824	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M-3H"	-3.021828
"881770"	53.004424	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-3H"	-3.021828
"8364"	161.027824	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M-2H"	-2.014552
"444646"	242.045374	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M-2H"	-2.014552
"832716"	80.010274	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-2H"	-2.014552
"92287"	323.062924	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M-H"	-1.007276
"532698"	485.098024	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M-H"	-1.007276
"909650"	161.027824	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-H"	-1.007276
"59649"	340.089471	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M-2H+NH4"	16.019271
"499945"	502.124571	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M-2H+NH4"	16.019271
"878354"	178.054371	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-2H+NH4"	16.019271
"43821"	345.044866	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M-2H+Na"	20.974666
"482287"	507.079966	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M-2H+Na"	20.974666
"857901"	183.009766	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-2H+Na"	20.974666
"1630716"	183.009766	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Na-2H"	20.974666
"101776"	179.016163	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M-H+Cl"	33.962126
"548266"	260.033713	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M-H+Cl"	33.962126
"941049"	97.998613	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-H+Cl"	33.962126
"276697"	359.039602	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+Cl"	34.969402
"670215"	521.074702	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+Cl"	34.969402
"1283711"	197.004502	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Cl"	34.969402
"17517"	361.018806	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M-2H+K"	36.948606
"463639"	523.053906	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M-2H+K"	36.948606
"835975"	198.983706	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-2H+K"	36.948606
"1558368"	198.983706	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+K-2H"	36.948606
"943455"	207.033294	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-H+HCOOH"	44.998194
"366655"	369.068401	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+HCOOH-H"	44.998201
"352725"	383.084051	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+Hac-H"	59.013851
"1500471"	221.048951	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Hac-H"	59.013851
"965826"	229.015251	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-H+NaCOOH"	66.980151
"115825"	197.004502	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+2Cl"	69.938804
"557571"	278.022052	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+2Cl"	69.938804
"1030745"	115.986952	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2Cl"	69.938804
"1253603"	240.953985	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Br"	78.918885
"1317146"	243.009972	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Cl+HCOOH"	80.974872
"1333914"	264.991929	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Cl+NaCOOH"	102.956829
"924608"	275.020686	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M-H+CF3COOH"	112.985586
"1300224"	310.997364	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Cl+CF3COOH"	148.962264
"1378385"	127.022424	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H-2H2O"	-35.012676
"1396246"	145.0324	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H-H2O"	-17.0027
"294473"	325.077476	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+H"	1.007276
"690178"	487.112576	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+H"	1.007276
"1359965"	163.042376	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H"	1.007276
"132126"	163.042376	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+2H"	2.014552
"576790"	244.059926	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+2H"	2.014552
"1048143"	82.024826	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2H"	2.014552
"211305"	109.030676	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+3H"	3.021828
"651957"	163.042376	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+3H"	3.021828
"1168990"	55.018976	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+3H"	3.021828
"427156"	342.104023	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+NH4"	18.033823
"789609"	504.139123	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+NH4"	18.033823
"1684118"	180.068923	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+NH4"	18.033823
"334220"	171.5556495	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+H+NH4"	19.041099
"735391"	252.5731995	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+H+NH4"	19.041099
"1483016"	90.5380995	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H+NH4"	19.041099
"403884"	347.059418	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+Na"	22.989218
"764879"	509.094518	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+Na"	22.989218
"1612978"	185.024318	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Na"	22.989218
"326293"	174.033347	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+H+Na"	23.996494
"720899"	255.050897	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+H+Na"	23.996494
"1475451"	93.015797	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H+Na"	23.996494
"1062499"	62.34629	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2H+Na"	25.00377
"1260900"	195.068586	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+CH3OH+H"	33.033486
"389318"	363.033358	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+K"	38.963158
"751409"	525.068458	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+K"	38.963158
"1543621"	200.998258	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+K"	38.963158
"307359"	182.020317	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+H+K"	39.970434
"703061"	263.037867	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+H+K"	39.970434
"1450322"	101.002767	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H+K"	39.970434
"240017"	366.104026	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+ACN+H"	42.033826
"1218189"	204.068926	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+ACN+H"	42.033826
"1202436"	102.538101	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+ACN+2H"	43.041102
"198222"	369.04136	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+2Na-H"	44.97116
"635602"	531.07646	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+2Na-H"	44.97116
"1140198"	207.00626	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2Na-H"	44.97116
"183487"	185.024318	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+2Na"	45.978436
"627800"	266.041868	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+2Na"	45.978436
"1128389"	104.006768	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2Na"	45.978436
"1412276"	69.673604	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H+2Na"	46.985712
"1444760"	209.047846	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H+HCOOH"	47.012746
"228620"	190.05734	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+3H2O+2H"	56.04448
"1517775"	223.09989	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+IsoProp+H"	61.06479
"416368"	193.011288	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+Na+K"	61.952376
"783195"	274.028838	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+Na+K"	61.952376
"1675880"	111.993738	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Na+K"	61.952376
"264222"	388.085968	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+ACN+Na"	64.015768
"1236201"	226.050868	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+ACN+Na"	64.015768
"1726911"	226.074393	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+NH4+HCOOH"	64.039293
"1190443"	77.000918	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+3Na"	68.967654
"1659241"	231.029788	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Na+HCOOH"	68.994688
"166102"	400.98924	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+2K-H"	76.91904
"599838"	563.02434	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+2K-H"	76.91904
"1087264"	238.95414	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2K-H"	76.91904
"145902"	200.998258	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"2M+2K"	77.926316
"584734"	282.015808	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"3M+2K"	77.926316
"1071431"	119.980708	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2K"	77.926316
"1102453"	240.968692	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2K+H"	78.933592
"1338841"	241.056307	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+DMSO+H"	79.021207
"1009196"	245.095476	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2ACN+H"	83.060376
"1527685"	246.089108	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+IsoProp+Na+H"	84.054008
"993769"	123.051376	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+2ACN+2H"	84.067652
"1592649"	247.003728	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+K+HCOOH"	84.968628
"1420496"	277.035238	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+H+CF3COOH"	115.000138
"1148959"	143.564651	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+3ACN+2H"	125.094202
"1700336"	294.061785	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+NH4+CF3COOH"	132.026685
"1634891"	299.01718	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+Na+CF3COOH"	136.98208
"1572735"	314.99112	"C15606"	"12-Dihydroxy-5-(methylthio)pent-1-en-3-one"	"C6H10O3S"	"162.0351"	"M+K+CF3COOH"	152.95602
"810757"	146.0328	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M"	0
"978821"	127.01441	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-H2O-H"	-19.01839
"73627"	96.347924	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M-3H"	-3.021828
"513188"	145.025524	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M-3H"	-3.021828
"889900"	47.670324	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-3H"	-3.021828
"7383"	145.025524	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M-2H"	-2.014552
"445849"	218.041924	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M-2H"	-2.014552
"830216"	72.009124	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-2H"	-2.014552
"91304"	291.058324	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M-H"	-1.007276
"530864"	437.091124	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M-H"	-1.007276
"909760"	145.025524	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-H"	-1.007276
"58666"	308.084871	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M-2H+NH4"	16.019271
"498232"	454.117671	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M-2H+NH4"	16.019271
"876763"	162.052071	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-2H+NH4"	16.019271
"43931"	313.040266	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M-2H+Na"	20.974666
"482397"	459.073066	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M-2H+Na"	20.974666
"856918"	167.007466	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-2H+Na"	20.974666
"1624265"	167.007466	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Na-2H"	20.974666
"98606"	163.013863	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M-H+Cl"	33.962126
"545824"	236.030263	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M-H+Cl"	33.962126
"941159"	89.997463	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-H+Cl"	33.962126
"276807"	327.035002	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+Cl"	34.969402
"669230"	473.067802	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+Cl"	34.969402
"1277259"	181.002202	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Cl"	34.969402
"16898"	329.014206	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M-2H+K"	36.948606
"461562"	475.047006	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M-2H+K"	36.948606
"839365"	182.981406	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-2H+K"	36.948606
"1560664"	182.981406	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+K-2H"	36.948606
"943686"	191.030994	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-H+HCOOH"	44.998194
"364577"	337.063801	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+HCOOH-H"	44.998201
"348461"	351.079451	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+Hac-H"	59.013851
"1500581"	205.046651	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Hac-H"	59.013851
"965936"	213.012951	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-H+NaCOOH"	66.980151
"113748"	181.002202	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+2Cl"	69.938804
"557681"	254.018602	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+2Cl"	69.938804
"1028667"	107.985802	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2Cl"	69.938804
"1252623"	224.951685	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Br"	78.918885
"1317257"	227.007672	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Cl+HCOOH"	80.974872
"1332567"	248.989629	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Cl+NaCOOH"	102.956829
"922535"	259.018386	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M-H+CF3COOH"	112.985586
"1299243"	294.995064	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Cl+CF3COOH"	148.962264
"1378497"	111.020124	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H-2H2O"	-35.012676
"1397207"	129.0301	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H-H2O"	-17.0027
"295677"	293.072876	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+H"	1.007276
"689194"	439.105676	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+H"	1.007276
"1358982"	147.040076	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H"	1.007276
"131872"	147.040076	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+2H"	2.014552
"572527"	220.056476	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+2H"	2.014552
"1047888"	74.023676	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2H"	2.014552
"210322"	98.362476	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+3H"	3.021828
"652068"	147.040076	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+3H"	3.021828
"1169101"	49.684876	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+3H"	3.021828
"426538"	310.099423	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+NH4"	18.033823
"789353"	456.132223	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+NH4"	18.033823
"1687875"	164.066623	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+NH4"	18.033823
"337978"	155.5533495	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+H+NH4"	19.041099
"728575"	228.5697495	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+H+NH4"	19.041099
"1483125"	82.5369495	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H+NH4"	19.041099
"401805"	315.054818	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+Na"	22.989218
"766081"	461.087618	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+Na"	22.989218
"1608712"	169.022018	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Na"	22.989218
"324944"	158.031047	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+H+Na"	23.996494
"718822"	231.047447	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+H+Na"	23.996494
"1470457"	85.014647	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H+Na"	23.996494
"1059329"	57.01219	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2H+Na"	25.00377
"1263197"	179.066286	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+CH3OH+H"	33.033486
"390521"	331.028758	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+K"	38.963158
"753708"	477.061558	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+K"	38.963158
"1544825"	184.995958	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+K"	38.963158
"307469"	166.018017	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+H+K"	39.970434
"705359"	239.034417	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+H+K"	39.970434
"1450432"	93.001617	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H+K"	39.970434
"241220"	334.099426	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+ACN+H"	42.033826
"1216113"	188.066626	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+ACN+H"	42.033826
"1200724"	94.536951	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+ACN+2H"	43.041102
"196512"	337.03676	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+2Na-H"	44.97116
"635712"	483.06956	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+2Na-H"	44.97116
"1137392"	191.00396	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2Na-H"	44.97116
"178495"	169.022018	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+2Na"	45.978436
"628198"	242.038418	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+2Na"	45.978436
"1128862"	96.005618	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2Na"	45.978436
"1413845"	64.339504	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H+2Na"	46.985712
"1445112"	193.045546	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H+HCOOH"	47.012746
"226544"	174.05504	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+3H2O+2H"	56.04448
"1518978"	207.09759	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+IsoProp+H"	61.06479
"417571"	177.008988	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+Na+K"	61.952376
"783184"	250.025388	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+Na+K"	61.952376
"1678906"	103.992588	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Na+K"	61.952376
"264696"	356.081368	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+ACN+Na"	64.015768
"1238497"	210.048568	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+ACN+Na"	64.015768
"1727387"	210.072093	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+NH4+HCOOH"	64.039293
"1191646"	71.666818	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+3Na"	68.967654
"1660444"	215.027488	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Na+HCOOH"	68.994688
"167306"	368.98464	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+2K-H"	76.91904
"598491"	515.01744	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+2K-H"	76.91904
"1086645"	222.95184	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2K-H"	76.91904
"144919"	184.995958	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"2M+2K"	77.926316
"585572"	258.012358	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"3M+2K"	77.926316
"1069476"	111.979558	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2K"	77.926316
"1100255"	224.966392	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2K+H"	78.933592
"1341868"	225.054007	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+DMSO+H"	79.021207
"1011491"	229.093176	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2ACN+H"	83.060376
"1526337"	230.086808	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+IsoProp+Na+H"	84.054008
"994972"	115.050226	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+2ACN+2H"	84.067652
"1592759"	231.001428	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+K+HCOOH"	84.968628
"1420606"	261.032938	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+H+CF3COOH"	115.000138
"1147974"	135.563501	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+3ACN+2H"	125.094202
"1700446"	278.059485	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+NH4+CF3COOH"	132.026685
"1636463"	283.01488	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+Na+CF3COOH"	136.98208
"1571746"	298.98882	"C15607"	"3-Oxo-3-ureidopropanoate;Malonuric acid"	"C4H6N2O4"	"146.0328"	"M+K+CF3COOH"	152.95602
"810867"	222.0681	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M"	0
"985491"	203.04971	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-H2O-H"	-19.01839
"73737"	147.038124	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M-3H"	-3.021828
"514391"	221.060824	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M-3H"	-3.021828
"891103"	73.015424	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-3H"	-3.021828
"10774"	221.060824	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M-2H"	-2.014552
"448145"	332.094874	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M-2H"	-2.014552
"830326"	110.026774	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-2H"	-2.014552
"88134"	443.128924	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M-H"	-1.007276
"530974"	665.197024	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M-H"	-1.007276
"906590"	221.060824	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-H"	-1.007276
"56589"	460.155471	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M-2H+NH4"	16.019271
"497247"	682.223571	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M-2H+NH4"	16.019271
"873954"	238.087371	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-2H+NH4"	16.019271
"38573"	465.110866	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M-2H+Na"	20.974666
"476675"	687.178966	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M-2H+Na"	20.974666
"852288"	243.042766	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-2H+Na"	20.974666
"1619999"	243.042766	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Na-2H"	20.974666
"97621"	239.049163	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M-H+Cl"	33.962126
"544839"	350.083213	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M-H+Cl"	33.962126
"937259"	128.015113	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-H+Cl"	33.962126
"276917"	479.105602	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+Cl"	34.969402
"669340"	701.173702	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+Cl"	34.969402
"1277369"	257.037502	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Cl"	34.969402
"16886"	481.084806	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M-2H+K"	36.948606
"463859"	703.152906	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M-2H+K"	36.948606
"840568"	259.016706	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-2H+K"	36.948606
"1561868"	259.016706	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+K-2H"	36.948606
"953031"	267.066294	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-H+HCOOH"	44.998194
"366874"	489.134401	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+HCOOH-H"	44.998201
"354037"	503.150051	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+Hac-H"	59.013851
"1497409"	281.081951	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Hac-H"	59.013851
"963859"	289.048251	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-H+NaCOOH"	66.980151
"116046"	257.037502	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+2Cl"	69.938804
"553417"	368.071552	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+2Cl"	69.938804
"1030965"	146.003452	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2Cl"	69.938804
"1250546"	300.986985	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Br"	78.918885
"1314088"	303.042972	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Cl+HCOOH"	80.974872
"1329399"	325.024929	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Cl+NaCOOH"	102.956829
"920458"	335.053686	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M-H+CF3COOH"	112.985586
"1299353"	371.030364	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Cl+CF3COOH"	148.962264
"1379337"	187.055424	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H-2H2O"	-35.012676
"1397194"	205.0654	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H-H2O"	-17.0027
"297489"	445.143476	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+H"	1.007276
"688578"	667.211576	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+H"	1.007276
"1357998"	223.075376	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H"	1.007276
"135262"	223.075376	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+2H"	2.014552
"577740"	334.109426	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+2H"	2.014552
"1048728"	112.041326	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2H"	2.014552
"212620"	149.052676	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+3H"	3.021828
"652180"	223.075376	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+3H"	3.021828
"1167388"	75.029976	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+3H"	3.021828
"431386"	462.170023	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+NH4"	18.033823
"796395"	684.238123	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+NH4"	18.033823
"1690902"	240.101923	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+NH4"	18.033823
"342099"	231.5886495	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+H+NH4"	19.041099
"731603"	342.6226995	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+H+NH4"	19.041099
"1486515"	120.5545995	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H+NH4"	19.041099
"405924"	467.125418	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+Na"	22.989218
"764732"	689.193518	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+Na"	22.989218
"1611009"	245.057318	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Na"	22.989218
"325418"	234.066347	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+H+Na"	23.996494
"716744"	345.100397	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+H+Na"	23.996494
"1472754"	123.032297	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H+Na"	23.996494
"1062720"	82.35729	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2H+Na"	25.00377
"1264401"	255.101586	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+CH3OH+H"	33.033486
"387351"	483.099358	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+K"	38.963158
"750536"	705.167458	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+K"	38.963158
"1541652"	261.031258	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+K"	38.963158
"304295"	242.053317	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+H+K"	39.970434
"696718"	353.087367	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+H+K"	39.970434
"1452724"	131.019267	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H+K"	39.970434
"244608"	486.170026	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+ACN+H"	42.033826
"1218411"	264.101926	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+ACN+H"	42.033826
"1204480"	132.554601	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+ACN+2H"	43.041102
"195165"	489.10736	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+2Na-H"	44.97116
"635090"	711.17546	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+2Na-H"	44.97116
"1143697"	267.03926	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2Na-H"	44.97116
"182613"	245.057318	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+2Na"	45.978436
"627419"	356.091368	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+2Na"	45.978436
"1128608"	134.023268	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2Na"	45.978436
"1412377"	89.684604	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H+2Na"	46.985712
"1444983"	269.080846	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H+HCOOH"	47.012746
"228840"	250.09034	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+3H2O+2H"	56.04448
"1521276"	283.13289	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+IsoProp+H"	61.06479
"422785"	253.044288	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+Na+K"	61.952376
"784389"	364.078338	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+Na+K"	61.952376
"1679989"	142.010238	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Na+K"	61.952376
"265171"	508.151968	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+ACN+Na"	64.015768
"1239215"	286.083868	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+ACN+Na"	64.015768
"1727744"	286.107393	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+NH4+HCOOH"	64.039293
"1189573"	97.011918	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+3Na"	68.967654
"1660922"	291.062788	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Na+HCOOH"	68.994688
"168877"	521.05524	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+2K-H"	76.91904
"604791"	743.12334	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+2K-H"	76.91904
"1088941"	298.98714	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2K-H"	76.91904
"145031"	261.031258	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"2M+2K"	77.926316
"586775"	372.065308	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"3M+2K"	77.926316
"1072381"	149.997208	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2K"	77.926316
"1105590"	301.001692	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2K+H"	78.933592
"1339791"	301.089307	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+DMSO+H"	79.021207
"1009414"	305.128476	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2ACN+H"	83.060376
"1528632"	306.122108	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+IsoProp+Na+H"	84.054008
"991799"	153.067876	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+2ACN+2H"	84.067652
"1592869"	307.036728	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+K+HCOOH"	84.968628
"1421810"	337.068238	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+H+CF3COOH"	115.000138
"1148450"	173.581151	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+3ACN+2H"	125.094202
"1699463"	354.094785	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+NH4+CF3COOH"	132.026685
"1637301"	359.05018	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+Na+CF3COOH"	136.98208
"1572222"	375.02412	"C15608"	"Flavone"	"C15H10O2"	"222.0681"	"M+K+CF3COOH"	152.95602
"810977"	256.0736	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M"	0
"982321"	237.05521	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"68380"	169.708457333333	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"512314"	255.066324	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"890121"	84.3505906666667	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"10884"	255.066324	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"454577"	383.103124	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"829342"	127.029524	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"90430"	511.139924	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"531084"	767.213524	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"906699"	255.066324	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"56699"	528.166471	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"496263"	784.240071	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"868231"	272.092871	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"38683"	533.121866	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"476785"	789.195466	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"850939"	277.048266	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1621565"	277.048266	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"97731"	273.054663	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"544949"	401.091463	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"936276"	145.017863	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"275934"	547.116602	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"669450"	803.190202	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1277479"	291.043002	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"17118"	549.095806	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"463969"	805.169406	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"840678"	293.022206	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1561978"	293.022206	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"949861"	301.071794	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"364796"	557.145401	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"354147"	571.161051	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1498613"	315.087451	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"963969"	323.053751	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"119438"	291.043002	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"562279"	419.079802	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1031078"	163.006202	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1250656"	334.992485	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1313107"	337.048472	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1329509"	359.030429	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"923849"	369.059186	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1298369"	405.035864	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1379446"	221.060924	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1396941"	239.0709	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"295899"	513.154476	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"688322"	769.228076	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1363576"	257.080876	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"132092"	257.080876	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"577120"	385.117676	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1050294"	129.044076	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"212730"	171.723009333333	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"652290"	257.080876	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1174788"	86.3651426666667	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"431861"	530.181023	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"796869"	786.254623	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1694294"	274.107423	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"343669"	265.5941495	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"732806"	393.6309495	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1487718"	137.5573495	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"406034"	535.136418	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"765936"	791.210018	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1612212"	279.062818	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"325528"	268.071847	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"717948"	396.108647	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1470677"	140.035047	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1063923"	93.6924566666667	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1272041"	289.107086	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"387460"	551.110358	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"748096"	807.183958	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1546136"	295.036758	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"304407"	276.058817	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"704848"	404.095617	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1453928"	148.022017	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"242531"	554.181026	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1218520"	298.107426	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1203497"	149.557351	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"196370"	557.11836	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"637023"	813.19196	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1139435"	301.04476	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"180173"	279.062818	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"626555"	407.099618	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1128354"	151.026018	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1412484"	101.019770666667	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1443387"	303.086346	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"227856"	284.09584	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1519199"	317.13839	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"419979"	287.049788	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"784379"	415.086588	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1680470"	159.012988	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"266256"	576.162968	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1239083"	320.089368	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1725417"	320.112893	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1189681"	108.347084666667	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1662124"	325.068288	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"169715"	589.06624	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"603079"	845.13984	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1088687"	332.99264	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"145140"	295.036758	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"585792"	423.073558	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1072491"	166.999958	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1104609"	335.007192	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1339902"	335.094807	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1010618"	339.133976	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1529834"	340.127608	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"996284"	170.070626	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1595166"	341.042228	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1421920"	371.073738	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1151115"	190.583901	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1701762"	388.100285	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1637411"	393.05568	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1572331"	409.02962	"C15609"	"35-Dihydroxyflavanone"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"808900"	402.3498	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M"	0
"979151"	383.33141	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"71770"	267.225924	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"509143"	401.342524	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"889137"	133.109324	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"9900"	401.342524	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"451649"	602.517424	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"828359"	200.167624	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"88349"	803.692324	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"530097"	1206.042124	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"906809"	401.342524	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"56809"	820.718871	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"498559"	1223.068671	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"868341"	418.369071	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"38793"	825.674266	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"476895"	1228.024066	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"851778"	423.324466	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1620582"	423.324466	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"98570"	419.330863	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"545059"	620.505763	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"938572"	218.155963	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"277137"	839.669002	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"668467"	1242.018802	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1278682"	437.319202	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"17957"	841.648206	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"460799"	1243.998006	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"838601"	439.298406	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1562088"	439.298406	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"947784"	447.347994	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"364906"	849.697801	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"353163"	863.713451	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1498721"	461.363651	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"962984"	469.329951	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"118455"	437.319202	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"562389"	638.494102	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1032282"	236.144302	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1251858"	481.268685	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1315402"	483.324672	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1329617"	505.306629	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"921772"	515.335386	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1299573"	551.312064	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1377734"	367.337124	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1397414"	385.3471	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"294915"	805.706876	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"686244"	1208.056676	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1359311"	403.357076	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"135481"	403.357076	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"575044"	604.531976	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1050403"	202.182176	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"211747"	269.240476	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"650214"	403.357076	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1173805"	135.123876	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"430877"	822.733423	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"795885"	1225.083223	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1692215"	420.383623	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"342683"	411.8703495	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"735101"	613.0452495	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1488557"	210.6954495	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"406143"	827.688818	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"765317"	1230.038618	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1612322"	425.339018	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"326731"	414.348047	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"716965"	615.522947	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1471880"	213.173147	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1064033"	142.45119	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1271544"	435.383286	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"389757"	843.662758	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"748935"	1246.012558	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1547339"	441.312958	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"305610"	422.335017	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"703865"	623.509917	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1458412"	221.160117	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"244827"	846.733426	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1221911"	444.383626	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1206888"	222.695451	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"194656"	849.67076	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"634217"	1252.02056	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1138453"	447.32096	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"180282"	425.339018	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"627273"	626.513918	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1128464"	224.164118	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1412230"	149.778504	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1444104"	449.362546	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"226873"	430.37204	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1520402"	463.41459	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"421182"	433.325988	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"784734"	634.500888	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1680458"	232.151088	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"266608"	868.715368	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1239925"	466.365568	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1726258"	466.389093	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1190156"	157.105818	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1661870"	471.344488	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"168729"	881.61864	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"602460"	1283.96844	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1088433"	479.26884	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"148528"	441.312958	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"588088"	642.487858	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1073695"	240.138058	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1104719"	481.283392	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1340012"	481.371007	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1010728"	485.410176	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1527758"	486.403808	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"993115"	243.208726	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1591996"	487.318428	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1422030"	517.349938	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1151225"	263.722001	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1704058"	534.376485	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1637521"	539.33188	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1573171"	555.30582	"C15610"	"Cholest-5-ene-3beta26-diol;Cholest-5-ene-3beta27-diol;26-Hydroxycholesterol;27-Hydroxycholesterol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"809010"	351.1682	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M"	0
"982541"	332.14981	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-H2O-H"	-19.01839
"75160"	233.104857333333	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M-3H"	-3.021828
"511440"	350.160924	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M-3H"	-3.021828
"890341"	116.048790666667	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-3H"	-3.021828
"12197"	350.160924	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M-2H"	-2.014552
"451759"	525.745024	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M-2H"	-2.014552
"821907"	174.576824	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-2H"	-2.014552
"80074"	701.329124	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M-H"	-1.007276
"529113"	1052.497324	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M-H"	-1.007276
"904733"	350.160924	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-H"	-1.007276
"53639"	718.355671	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M-2H+NH4"	16.019271
"496482"	1069.523871	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M-2H+NH4"	16.019271
"869907"	367.187471	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-2H+NH4"	16.019271
"36351"	723.311066	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M-2H+Na"	20.974666
"473234"	1074.479266	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M-2H+Na"	20.974666
"852617"	372.142866	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-2H+Na"	20.974666
"1620083"	372.142866	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Na-2H"	20.974666
"96854"	368.149263	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M-H+Cl"	33.962126
"545169"	543.733363	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M-H+Cl"	33.962126
"938682"	192.565163	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-H+Cl"	33.962126
"276154"	737.305802	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+Cl"	34.969402
"669670"	1088.474002	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+Cl"	34.969402
"1277699"	386.137602	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Cl"	34.969402
"17338"	739.285006	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M-2H+K"	36.948606
"464189"	1090.453206	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M-2H+K"	36.948606
"838711"	388.116806	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-2H+K"	36.948606
"1560011"	388.116806	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+K-2H"	36.948606
"947166"	396.166394	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-H+HCOOH"	44.998194
"366109"	747.334601	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+HCOOH-H"	44.998201
"349264"	761.350251	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+Hac-H"	59.013851
"1499924"	410.182051	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Hac-H"	59.013851
"965279"	418.148351	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-H+NaCOOH"	66.980151
"117471"	386.137602	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+2Cl"	69.938804
"558125"	561.721702	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+2Cl"	69.938804
"1032391"	210.553502	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2Cl"	69.938804
"1250875"	430.087085	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Br"	78.918885
"1314418"	432.143072	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Cl+HCOOH"	80.974872
"1329727"	454.125029	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Cl+NaCOOH"	102.956829
"921880"	464.153786	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M-H+CF3COOH"	112.985586
"1297494"	500.130464	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Cl+CF3COOH"	148.962264
"1376748"	316.155524	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H-2H2O"	-35.012676
"1394244"	334.1655	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H-H2O"	-17.0027
"290650"	703.343676	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+H"	1.007276
"683074"	1054.511876	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+H"	1.007276
"1357234"	352.175476	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H"	1.007276
"130488"	352.175476	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+2H"	2.014552
"569684"	527.759576	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+2H"	2.014552
"1042493"	176.591376	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2H"	2.014552
"208576"	235.119409333333	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+3H"	3.021828
"648496"	352.175476	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+3H"	3.021828
"1170631"	118.063342666667	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+3H"	3.021828
"430259"	720.370223	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+NH4"	18.033823
"792346"	1071.538423	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+NH4"	18.033823
"1686491"	369.202023	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+NH4"	18.033823
"338417"	360.6887495	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+H+NH4"	19.041099
"727193"	536.2728495	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+H+NH4"	19.041099
"1483565"	185.1046495	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H+NH4"	19.041099
"401150"	725.325618	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+Na"	22.989218
"762146"	1076.493818	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+Na"	22.989218
"1609153"	374.157418	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Na"	22.989218
"322468"	363.166447	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+H+Na"	23.996494
"718168"	538.750547	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+H+Na"	23.996494
"1471989"	187.582347	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H+Na"	23.996494
"1064872"	125.390656666667	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2H+Na"	25.00377
"1270560"	384.201686	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+CH3OH+H"	33.033486
"385491"	741.299558	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+K"	38.963158
"749768"	1092.467758	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+K"	38.963158
"1551820"	390.131358	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+K"	38.963158
"302803"	371.153417	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+H+K"	39.970434
"697048"	546.737517	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+H+K"	39.970434
"1451961"	195.569317	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H+K"	39.970434
"240563"	744.370226	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+ACN+H"	42.033826
"1218739"	393.202026	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+ACN+H"	42.033826
"1202623"	197.104651	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+ACN+2H"	43.041102
"195494"	747.30756	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+2Na-H"	44.97116
"633962"	1098.47576	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+2Na-H"	44.97116
"1136376"	396.13936	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2Na-H"	44.97116
"176384"	374.157418	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+2Na"	45.978436
"627500"	549.741518	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+2Na"	45.978436
"1129302"	198.573318	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2Na"	45.978436
"1413680"	132.717970666667	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H+2Na"	46.985712
"1441662"	398.180946	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H+HCOOH"	47.012746
"225890"	379.19044	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+3H2O+2H"	56.04448
"1519419"	412.23299	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+IsoProp+H"	61.06479
"420198"	382.144388	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+Na+K"	61.952376
"784110"	557.728488	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+Na+K"	61.952376
"1678618"	206.560288	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Na+K"	61.952376
"265866"	766.352168	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+ACN+Na"	64.015768
"1240033"	415.183968	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+ACN+Na"	64.015768
"1726005"	415.207493	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+NH4+HCOOH"	64.039293
"1189173"	140.045284666667	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+3Na"	68.967654
"1660886"	420.162888	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Na+HCOOH"	68.994688
"168839"	779.25544	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+2K-H"	76.91904
"602936"	1130.42364	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+2K-H"	76.91904
"1089635"	428.08724	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2K-H"	76.91904
"146452"	390.131358	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"2M+2K"	77.926316
"586012"	565.715458	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"3M+2K"	77.926316
"1070526"	214.547258	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2K"	77.926316
"1103736"	430.101792	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2K+H"	78.933592
"1339029"	430.189407	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+DMSO+H"	79.021207
"1008652"	434.228576	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2ACN+H"	83.060376
"1528961"	435.222208	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+IsoProp+Na+H"	84.054008
"993225"	217.617926	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+2ACN+2H"	84.067652
"1593199"	436.136828	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+K+HCOOH"	84.968628
"1422140"	466.168338	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+H+CF3COOH"	115.000138
"1152428"	238.131201	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+3ACN+2H"	125.094202
"1703075"	483.194885	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+NH4+CF3COOH"	132.026685
"1637631"	488.15028	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+Na+CF3COOH"	136.98208
"1573281"	504.12422	"C15612"	"Senecionine N-oxide"	"C18H25NO6"	"351.1682"	"M+K+CF3COOH"	152.95602
"809120"	1199.4392	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M"	0
"982651"	1180.42081	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H2O-H"	-19.01839
"74177"	798.618857333333	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-3H"	-3.021828
"509364"	1198.431924	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-3H"	-3.021828
"890451"	398.805790666667	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-3H"	-3.021828
"11214"	1198.431924	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H"	-2.014552
"451869"	1798.151524	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H"	-2.014552
"823110"	598.712324	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H"	-2.014552
"92823"	2397.871124	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H"	-1.007276
"531412"	3597.310324	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H"	-1.007276
"905933"	1198.431924	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H"	-1.007276
"53749"	2414.897671	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+NH4"	16.019271
"496591"	3614.336871	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+NH4"	16.019271
"874394"	1215.458471	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+NH4"	16.019271
"40108"	2419.853066	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+Na"	20.974666
"473223"	3619.292266	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+Na"	20.974666
"852364"	1220.413866	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+Na"	20.974666
"1621896"	1220.413866	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na-2H"	20.974666
"99152"	1216.420263	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H+Cl"	33.962126
"547465"	1816.139863	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H+Cl"	33.962126
"937699"	616.700663	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+Cl"	33.962126
"276264"	2433.847802	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Cl"	34.969402
"665405"	3633.287002	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Cl"	34.969402
"1277442"	1234.408602	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl"	34.969402
"21459"	2435.827006	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+K"	36.948606
"459197"	3635.266206	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+K"	36.948606
"834202"	1236.387806	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+K"	36.948606
"1564494"	1236.387806	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K-2H"	36.948606
"953472"	1244.437394	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+HCOOH"	44.998194
"364397"	2443.876601	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+HCOOH-H"	44.998201
"350467"	2457.892251	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Hac-H"	59.013851
"1497848"	1258.453051	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Hac-H"	59.013851
"967578"	1266.419351	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+NaCOOH"	66.980151
"117579"	1234.408602	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Cl"	69.938804
"560422"	1834.128202	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Cl"	69.938804
"1032502"	634.689002	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Cl"	69.938804
"1254265"	1278.358085	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Br"	78.918885
"1318539"	1280.414072	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+HCOOH"	80.974872
"1331299"	1302.396029	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+NaCOOH"	102.956829
"922357"	1312.424786	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+CF3COOH"	112.985586
"1301251"	1348.401464	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+CF3COOH"	148.962264
"1380139"	1164.426524	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-2H2O"	-35.012676
"1394357"	1182.4365	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-H2O"	-17.0027
"294044"	2399.885676	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H"	1.007276
"687556"	3599.324876	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H"	1.007276
"1359532"	1200.446476	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H"	1.007276
"136795"	1200.446476	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2H"	2.014552
"573077"	1800.166076	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2H"	2.014552
"1045155"	600.726876	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H"	2.014552
"210873"	800.633409333333	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H"	3.021828
"647149"	1200.446476	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+3H"	3.021828
"1167826"	400.820342666667	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3H"	3.021828
"429639"	2416.912223	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+NH4"	18.033823
"790636"	3616.351423	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+NH4"	18.033823
"1687331"	1217.473023	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4"	18.033823
"337434"	1208.9597495	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+NH4"	19.041099
"734959"	1808.6793495	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+NH4"	19.041099
"1489144"	609.2401495	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+NH4"	19.041099
"403450"	2421.867618	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na"	22.989218
"763351"	3621.306818	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na"	22.989218
"1612543"	1222.428418	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na"	22.989218
"322578"	1211.437447	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+Na"	23.996494
"720466"	1811.157047	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+Na"	23.996494
"1469911"	611.717847	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+Na"	23.996494
"1066440"	408.147656666667	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H+Na"	25.00377
"1268117"	1232.472686	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+CH3OH+H"	33.033486
"390339"	2437.841558	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+K"	38.963158
"752794"	3637.280758	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+K"	38.963158
"1543183"	1238.402358	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K"	38.963158
"308015"	1219.424417	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+K"	39.970434
"701531"	1819.144017	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+K"	39.970434
"1457538"	619.704817	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+K"	39.970434
"245047"	2440.912226	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+H"	42.033826
"1221036"	1241.473026	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+H"	42.033826
"1204922"	621.240151	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+2H"	43.041102
"196696"	2443.84956	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na-H"	44.97116
"635166"	3643.28876	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na-H"	44.97116
"1138670"	1244.41036	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na-H"	44.97116
"177950"	1222.428418	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na"	45.978436
"625902"	1822.148018	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na"	45.978436
"1130506"	622.708818	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na"	45.978436
"1412935"	415.474970666667	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+2Na"	46.985712
"1441772"	1246.451946	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+HCOOH"	47.012746
"230374"	1227.46144	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H2O+2H"	56.04448
"1519529"	1260.50399	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+H"	61.06479
"419216"	1230.415388	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na+K"	61.952376
"783491"	1830.134988	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na+K"	61.952376
"1676542"	630.695788	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+K"	61.952376
"265250"	2462.894168	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+Na"	64.015768
"1240753"	1263.454968	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+Na"	64.015768
"1723564"	1263.478493	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+HCOOH"	64.039293
"1190009"	422.802284666667	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3Na"	68.967654
"1661726"	1268.433888	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+HCOOH"	68.994688
"170410"	2475.79744	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K-H"	76.91904
"603045"	3675.23664	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K-H"	76.91904
"1088653"	1276.35824	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K-H"	76.91904
"150936"	1238.402358	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K"	77.926316
"588311"	1838.121958	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K"	77.926316
"1072822"	638.682758	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K"	77.926316
"1102750"	1278.372792	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K+H"	78.933592
"1337068"	1278.460407	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+DMSO+H"	79.021207
"1008758"	1282.499576	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+H"	83.060376
"1527978"	1283.493208	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+Na+H"	84.054008
"993335"	641.753426	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+2H"	84.067652
"1590027"	1284.407828	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+HCOOH"	84.968628
"1422250"	1314.439338	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+CF3COOH"	115.000138
"1152538"	662.266701	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3ACN+2H"	125.094202
"1703185"	1331.465885	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+CF3COOH"	132.026685
"1637741"	1336.42128	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+CF3COOH"	136.98208
"1573025"	1352.39522	"C15613"	"(25R)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+CF3COOH"	152.95602
"811417"	1215.4341	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M"	0
"977294"	1196.41571	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H2O-H"	-19.01839
"75746"	809.282124	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-3H"	-3.021828
"507287"	1214.426824	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-3H"	-3.021828
"889462"	404.137424	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-3H"	-3.021828
"5850"	1214.426824	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H"	-2.014552
"446501"	1822.143874	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H"	-2.014552
"828690"	606.709774	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H"	-2.014552
"90869"	2429.860924	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-H"	-1.007276
"529336"	3645.295024	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-H"	-1.007276
"904951"	1214.426824	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H"	-1.007276
"53859"	2446.887471	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H+NH4"	16.019271
"492326"	3662.321571	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H+NH4"	16.019271
"867941"	1231.453371	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H+NH4"	16.019271
"37300"	2451.842866	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H+Na"	20.974666
"472120"	3667.276966	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H+Na"	20.974666
"851380"	1236.408766	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H+Na"	20.974666
"1619332"	1236.408766	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na-2H"	20.974666
"95254"	1232.415163	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-H+Cl"	33.962126
"538097"	1840.132213	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-H+Cl"	33.962126
"927154"	624.698113	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+Cl"	33.962126
"273455"	2465.837602	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Cl"	34.969402
"663326"	3681.271702	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+Cl"	34.969402
"1274996"	1250.403502	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl"	34.969402
"16705"	2467.816806	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M-2H+K"	36.948606
"458214"	3683.250906	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M-2H+K"	36.948606
"833949"	1252.382706	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-2H+K"	36.948606
"1564604"	1252.382706	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K-2H"	36.948606
"953580"	1260.432294	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+HCOOH"	44.998194
"364507"	2475.866401	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+HCOOH-H"	44.998201
"353859"	2489.882051	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Hac-H"	59.013851
"1497958"	1274.447951	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Hac-H"	59.013851
"962218"	1282.414251	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+NaCOOH"	66.980151
"113677"	1250.403502	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2Cl"	69.938804
"553602"	1858.120552	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2Cl"	69.938804
"1030424"	642.686452	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2Cl"	69.938804
"1247815"	1294.352985	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Br"	78.918885
"1314638"	1296.408972	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl+HCOOH"	80.974872
"1331039"	1318.390929	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl+NaCOOH"	102.956829
"923924"	1328.419686	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M-H+CF3COOH"	112.985586
"1301723"	1364.396364	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Cl+CF3COOH"	148.962264
"1381708"	1180.421424	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H-2H2O"	-35.012676
"1390091"	1198.4314	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H-H2O"	-17.0027
"290871"	2431.875476	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H"	1.007276
"687666"	3647.309576	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H"	1.007276
"1360736"	1216.441376	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H"	1.007276
"130345"	1216.441376	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2H"	2.014552
"576465"	1824.158426	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2H"	2.014552
"1047455"	608.724326	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2H"	2.014552
"212074"	811.296676	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+3H"	3.021828
"647261"	1216.441376	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+3H"	3.021828
"1166845"	406.151976	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+3H"	3.021828
"427564"	2448.902023	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+NH4"	18.033823
"788925"	3664.336123	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+NH4"	18.033823
"1685984"	1233.467923	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+NH4"	18.033823
"337543"	1224.9546495	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H+NH4"	19.041099
"734340"	1832.6716995	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H+NH4"	19.041099
"1489622"	617.2375995	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+NH4"	19.041099
"404653"	2453.857418	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Na"	22.989218
"763461"	3669.291518	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+Na"	22.989218
"1612652"	1238.423318	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na"	22.989218
"324873"	1227.432347	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H+Na"	23.996494
"720941"	1835.149397	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H+Na"	23.996494
"1475491"	619.715297	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+Na"	23.996494
"1066914"	413.47929	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2H+Na"	25.00377
"1270416"	1248.467586	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+CH3OH+H"	33.033486
"385711"	2469.831358	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+K"	38.963158
"746709"	3685.265458	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+K"	38.963158
"1546576"	1254.397258	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K"	38.963158
"308126"	1235.419317	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+H+K"	39.970434
"703467"	1843.136367	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+H+K"	39.970434
"1457284"	627.702267	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+K"	39.970434
"245158"	2472.902026	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+ACN+H"	42.033826
"1217869"	1257.467926	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+ACN+H"	42.033826
"1202844"	629.237601	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+ACN+2H"	43.041102
"200453"	2475.83936	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2Na-H"	44.97116
"638557"	3691.27346	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2Na-H"	44.97116
"1141699"	1260.40526	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2Na-H"	44.97116
"176606"	1238.423318	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2Na"	45.978436
"617262"	1846.140368	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2Na"	45.978436
"1128430"	630.706268	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2Na"	45.978436
"1412683"	420.806604	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+2Na"	46.985712
"1444799"	1262.446846	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+HCOOH"	47.012746
"225018"	1243.45634	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+3H2O+2H"	56.04448
"1518548"	1276.49889	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+IsoProp+H"	61.06479
"419326"	1246.410288	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+Na+K"	61.952376
"784696"	1854.127338	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+Na+K"	61.952376
"1676653"	638.693238	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na+K"	61.952376
"265360"	2494.883968	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+ACN+Na"	64.015768
"1239892"	1279.449868	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+ACN+Na"	64.015768
"1724769"	1279.473393	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+NH4+HCOOH"	64.039293
"1187934"	428.133918	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+3Na"	68.967654
"1660015"	1284.428788	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na+HCOOH"	68.994688
"169426"	2507.78724	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2K-H"	76.91904
"604251"	3723.22134	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2K-H"	76.91904
"1092046"	1292.35314	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2K-H"	76.91904
"149955"	1254.397258	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"2M+2K"	77.926316
"589515"	1862.114308	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"3M+2K"	77.926316
"1078038"	646.680208	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2K"	77.926316
"1103955"	1294.367692	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2K+H"	78.933592
"1340338"	1294.455307	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+DMSO+H"	79.021207
"1013242"	1298.494476	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2ACN+H"	83.060376
"1525901"	1299.488108	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+IsoProp+Na+H"	84.054008
"992349"	649.750876	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+2ACN+2H"	84.067652
"1591232"	1300.402728	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K+HCOOH"	84.968628
"1422360"	1330.434238	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+H+CF3COOH"	115.000138
"1152648"	670.264151	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+3ACN+2H"	125.094202
"1703295"	1347.460785	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+NH4+CF3COOH"	132.026685
"1637851"	1352.41618	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+Na+CF3COOH"	136.98208
"1572043"	1368.39012	"C15614"	"(24R25R)-3alpha7alpha12alpha24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O21P3S"	"1215.4341"	"M+K+CF3COOH"	152.95602
"806059"	238.063	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M"	0
"977768"	219.04461	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H2O-H"	-19.01839
"75491"	157.701390666667	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-3H"	-3.021828
"512865"	237.055724	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-3H"	-3.021828
"890666"	78.3470573333333	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-3H"	-3.021828
"8148"	237.055724	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H"	-2.014552
"447706"	356.087224	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H"	-2.014552
"827705"	118.024224	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H"	-2.014552
"88793"	475.118724	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-H"	-1.007276
"529446"	713.181724	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-H"	-1.007276
"905063"	237.055724	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H"	-1.007276
"50323"	492.145271	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H+NH4"	16.019271
"489154"	730.208271	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H+NH4"	16.019271
"867687"	254.082271	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H+NH4"	16.019271
"37046"	497.100666	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H+Na"	20.974666
"472594"	735.163666	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H+Na"	20.974666
"851854"	259.037666	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H+Na"	20.974666
"1619564"	259.037666	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na-2H"	20.974666
"95724"	255.044063	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-H+Cl"	33.962126
"537843"	374.075563	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-H+Cl"	33.962126
"928798"	136.012563	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+Cl"	33.962126
"270286"	511.095402	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Cl"	34.969402
"664532"	749.158402	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+Cl"	34.969402
"1273652"	273.032402	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl"	34.969402
"16086"	513.074606	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M-2H+K"	36.948606
"456866"	751.137606	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M-2H+K"	36.948606
"835761"	275.011606	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-2H+K"	36.948606
"1565807"	275.011606	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K-2H"	36.948606
"952597"	283.061194	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+HCOOH"	44.998194
"365712"	521.124201	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+HCOOH-H"	44.998201
"350688"	535.139851	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Hac-H"	59.013851
"1495881"	297.076851	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Hac-H"	59.013851
"960871"	305.043151	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+NaCOOH"	66.980151
"113423"	273.032402	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2Cl"	69.938804
"553348"	392.063902	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2Cl"	69.938804
"1026159"	154.000902	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2Cl"	69.938804
"1249020"	316.981885	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Br"	78.918885
"1316935"	319.037872	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl+HCOOH"	80.974872
"1331149"	341.019829	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl+NaCOOH"	102.956829
"924761"	351.048586	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M-H+CF3COOH"	112.985586
"1300739"	387.025264	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Cl+CF3COOH"	148.962264
"1381450"	203.050324	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H-2H2O"	-35.012676
"1390201"	221.0603	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H-H2O"	-17.0027
"288064"	477.133276	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H"	1.007276
"687775"	715.196276	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H"	1.007276
"1360846"	239.070276	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H"	1.007276
"135924"	239.070276	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2H"	2.014552
"575485"	358.101776	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2H"	2.014552
"1047566"	120.038776	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2H"	2.014552
"211091"	159.715942666667	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+3H"	3.021828
"648099"	239.070276	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+3H"	3.021828
"1172058"	80.3616093333333	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+3H"	3.021828
"429864"	494.159823	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+NH4"	18.033823
"793046"	732.222823	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+NH4"	18.033823
"1688283"	256.096823	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+NH4"	18.033823
"338748"	247.5835495	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H+NH4"	19.041099
"733356"	366.6150495	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H+NH4"	19.041099
"1490457"	128.5520495	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+NH4"	19.041099
"401482"	499.115218	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Na"	22.989218
"763570"	737.178218	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+Na"	22.989218
"1614584"	261.052218	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na"	22.989218
"324984"	250.061247	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H+Na"	23.996494
"720321"	369.092747	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H+Na"	23.996494
"1473413"	131.029747	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+Na"	23.996494
"1062282"	87.6889233333333	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2H+Na"	25.00377
"1268335"	271.096486	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+CH3OH+H"	33.033486
"392014"	515.089158	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+K"	38.963158
"751556"	753.152158	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+K"	38.963158
"1548873"	277.026158	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K"	38.963158
"311516"	258.048217	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+H+K"	39.970434
"705401"	377.079717	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+H+K"	39.970434
"1457758"	139.016717	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+K"	39.970434
"248186"	518.159826	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+ACN+H"	42.033826
"1223084"	280.096826	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+ACN+H"	42.033826
"1205870"	140.552051	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+ACN+2H"	43.041102
"200927"	521.09716	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2Na-H"	44.97116
"642315"	759.16016	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2Na-H"	44.97116
"1146427"	283.03416	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2Na-H"	44.97116
"185099"	261.052218	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2Na"	45.978436
"627334"	380.083718	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2Na"	45.978436
"1127084"	142.020718	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2Na"	45.978436
"1412430"	95.0162373333333	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+2Na"	46.985712
"1444546"	285.075746	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+HCOOH"	47.012746
"229139"	266.08524	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+3H2O+2H"	56.04448
"1517566"	299.12779	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+IsoProp+H"	61.06479
"420166"	269.039188	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+Na+K"	61.952376
"781527"	388.070688	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+Na+K"	61.952376
"1678223"	150.007688	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na+K"	61.952376
"264014"	540.141768	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+ACN+Na"	64.015768
"1239641"	302.078768	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+ACN+Na"	64.015768
"1727069"	302.102293	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+NH4+HCOOH"	64.039293
"1188409"	102.343551333333	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+3Na"	68.967654
"1660490"	307.057688	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na+HCOOH"	68.994688
"166991"	553.04504	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2K-H"	76.91904
"605819"	791.10804	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2K-H"	76.91904
"1092156"	314.98204	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2K-H"	76.91904
"151525"	277.026158	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"2M+2K"	77.926316
"592907"	396.057658	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"3M+2K"	77.926316
"1080336"	157.994658	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2K"	77.926316
"1100779"	316.996592	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2K+H"	78.933592
"1342636"	317.084207	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+DMSO+H"	79.021207
"1011166"	321.123376	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2ACN+H"	83.060376
"1527105"	322.117008	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+IsoProp+Na+H"	84.054008
"991730"	161.065326	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+2ACN+2H"	84.067652
"1591342"	323.031628	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K+HCOOH"	84.968628
"1422470"	353.063138	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+H+CF3COOH"	115.000138
"1152758"	181.578601	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+3ACN+2H"	125.094202
"1703405"	370.089685	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+NH4+CF3COOH"	132.026685
"1636868"	375.04508	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+Na+CF3COOH"	136.98208
"1572882"	391.01902	"C15615"	"7-Hydroxyisoflavone"	"C15H10O3"	"238.063"	"M+K+CF3COOH"	152.95602
"811637"	252.0786	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M"	0
"978607"	233.06021	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-H2O-H"	-19.01839
"72319"	167.045124	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M-3H"	-3.021828
"509694"	251.071324	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M-3H"	-3.021828
"889682"	83.018924	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-3H"	-3.021828
"7166"	251.071324	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M-2H"	-2.014552
"444901"	377.110624	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M-2H"	-2.014552
"822337"	125.032024	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-2H"	-2.014552
"87810"	503.149924	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M-H"	-1.007276
"530650"	755.228524	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M-H"	-1.007276
"904078"	251.071324	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-H"	-1.007276
"49703"	520.176471	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M-2H+NH4"	16.019271
"493273"	772.255071	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M-2H+NH4"	16.019271
"867064"	268.097871	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-2H+NH4"	16.019271
"32655"	525.131866	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M-2H+Na"	20.974666
"473068"	777.210466	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M-2H+Na"	20.974666
"849653"	273.053266	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-2H+Na"	20.974666
"1621490"	273.053266	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Na-2H"	20.974666
"97290"	269.059663	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M-H+Cl"	33.962126
"534747"	395.098963	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M-H+Cl"	33.962126
"930002"	143.020363	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-H+Cl"	33.962126
"270032"	539.126602	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+Cl"	34.969402
"661725"	791.205202	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+Cl"	34.969402
"1273394"	287.048002	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Cl"	34.969402
"20693"	541.105806	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M-2H+K"	36.948606
"461347"	793.184406	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M-2H+K"	36.948606
"834777"	289.027206	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-2H+K"	36.948606
"1564824"	289.027206	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+K-2H"	36.948606
"948334"	297.076794	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-H+HCOOH"	44.998194
"366550"	549.155401	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+HCOOH-H"	44.998201
"352620"	563.171051	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+Hac-H"	59.013851
"1494893"	311.092451	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Hac-H"	59.013851
"960979"	319.058751	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-H+NaCOOH"	66.980151
"110328"	287.048002	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+2Cl"	69.938804
"551269"	413.087302	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+2Cl"	69.938804
"1021522"	161.008702	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2Cl"	69.938804
"1244755"	330.997485	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Br"	78.918885
"1305864"	333.053472	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Cl+HCOOH"	80.974872
"1321172"	355.035429	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Cl+NaCOOH"	102.956829
"917941"	365.064186	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M-H+CF3COOH"	112.985586
"1297932"	401.040864	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Cl+CF3COOH"	148.962264
"1376095"	217.065924	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H-2H2O"	-35.012676
"1389217"	235.0759	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H-H2O"	-17.0027
"295099"	505.164476	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+H"	1.007276
"686427"	757.243076	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+H"	1.007276
"1362048"	253.085876	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H"	1.007276
"134942"	253.085876	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+2H"	2.014552
"577051"	379.125176	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+2H"	2.014552
"1046579"	127.046576	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2H"	2.014552
"212294"	169.059676	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+3H"	3.021828
"647116"	253.085876	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+3H"	3.021828
"1164147"	85.033476	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+3H"	3.021828
"425355"	522.191023	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+NH4"	18.033823
"787322"	774.269623	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+NH4"	18.033823
"1686204"	270.112423	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+NH4"	18.033823
"333388"	261.5991495	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+H+NH4"	19.041099
"731275"	387.6384495	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+H+NH4"	19.041099
"1484002"	135.5598495	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H+NH4"	19.041099
"395028"	527.146418	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+Na"	22.989218
"759304"	779.225018	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+Na"	22.989218
"1609590"	275.067818	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Na"	22.989218
"320720"	264.076847	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+H+Na"	23.996494
"712047"	390.116147	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+H+Na"	23.996494
"1470241"	138.037547	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H+Na"	23.996494
"1063484"	92.36079	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2H+Na"	25.00377
"1262976"	285.112086	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+CH3OH+H"	33.033486
"381552"	543.120358	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+K"	38.963158
"749113"	795.198958	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+K"	38.963158
"1550808"	291.041758	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+K"	38.963158
"309080"	272.063817	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+H+K"	39.970434
"699678"	398.103117	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+H+K"	39.970434
"1455682"	146.024517	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H+K"	39.970434
"244288"	546.191026	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+ACN+H"	42.033826
"1215902"	294.112426	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+ACN+H"	42.033826
"1204160"	147.559851	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+ACN+2H"	43.041102
"201040"	549.12836	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+2Na-H"	44.97116
"633312"	801.20696	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+2Na-H"	44.97116
"1145565"	297.04976	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2Na-H"	44.97116
"185575"	275.067818	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+2Na"	45.978436
"627815"	401.107118	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+2Na"	45.978436
"1126101"	149.028518	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2Na"	45.978436
"1409988"	99.688104	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H+2Na"	46.985712
"1443562"	299.091346	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H+HCOOH"	47.012746
"227791"	280.10084	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+3H2O+2H"	56.04448
"1517676"	313.14339	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+IsoProp+H"	61.06479
"419549"	283.054788	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+Na+K"	61.952376
"780546"	409.094088	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+Na+K"	61.952376
"1679431"	157.015488	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Na+K"	61.952376
"265949"	568.172968	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+ACN+Na"	64.015768
"1238658"	316.094368	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+ACN+Na"	64.015768
"1727789"	316.117893	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+NH4+HCOOH"	64.039293
"1187428"	107.015418	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+3Na"	68.967654
"1660235"	321.073288	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Na+HCOOH"	68.994688
"167465"	581.07624	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+2K-H"	76.91904
"605929"	833.15484	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+2K-H"	76.91904
"1088987"	328.99764	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2K-H"	76.91904
"150176"	291.041758	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"2M+2K"	77.926316
"593382"	417.081058	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"3M+2K"	77.926316
"1076801"	165.002458	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2K"	77.926316
"1101257"	331.012192	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2K+H"	78.933592
"1339466"	331.099807	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+DMSO+H"	79.021207
"1014557"	335.138976	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2ACN+H"	83.060376
"1530496"	336.132608	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+IsoProp+Na+H"	84.054008
"993663"	168.073126	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+2ACN+2H"	84.067652
"1591452"	337.047228	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+K+HCOOH"	84.968628
"1422579"	367.078738	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+H+CF3COOH"	115.000138
"1149586"	188.586401	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+3ACN+2H"	125.094202
"1704608"	384.105285	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+NH4+CF3COOH"	132.026685
"1636978"	389.06068	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+Na+CF3COOH"	136.98208
"1573725"	405.03462	"C15616"	"7-Methoxyisoflavone"	"C16H12O3"	"252.0786"	"M+K+CF3COOH"	152.95602
"811747"	323.0495	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M"	0
"979811"	304.03111	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-H2O-H"	-19.01839
"74616"	214.359057333333	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M-3H"	-3.021828
"513084"	322.042224	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M-3H"	-3.021828
"892708"	106.675890666667	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-3H"	-3.021828
"9462"	322.042224	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M-2H"	-2.014552
"447927"	483.566974	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M-2H"	-2.014552
"821354"	160.517474	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-2H"	-2.014552
"93146"	645.091724	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M-H"	-1.007276
"532218"	968.141224	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M-H"	-1.007276
"907469"	322.042224	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-H"	-1.007276
"59656"	662.118271	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M-2H+NH4"	16.019271
"489738"	985.167771	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M-2H+NH4"	16.019271
"865718"	339.068771	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-2H+NH4"	16.019271
"33372"	667.073666	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M-2H+Na"	20.974666
"473543"	990.123166	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M-2H+Na"	20.974666
"850614"	344.024166	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-2H+Na"	20.974666
"1621964"	344.024166	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Na-2H"	20.974666
"99222"	340.030563	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M-H+Cl"	33.962126
"535870"	501.555313	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M-H+Cl"	33.962126
"929749"	178.505813	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-H+Cl"	33.962126
"278889"	681.068402	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+Cl"	34.969402
"664752"	1004.117902	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+Cl"	34.969402
"1276059"	358.018902	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Cl"	34.969402
"24083"	683.047606	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M-2H+K"	36.948606
"463644"	1006.097106	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M-2H+K"	36.948606
"839261"	359.998106	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-2H+K"	36.948606
"1559467"	359.998106	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+K-2H"	36.948606
"945163"	368.047694	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-H+HCOOH"	44.998194
"365566"	691.097201	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+HCOOH-H"	44.998201
"351636"	705.112851	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+Hac-H"	59.013851
"1494636"	382.063351	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Hac-H"	59.013851
"962546"	390.029651	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-H+NaCOOH"	66.980151
"113642"	358.018902	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+2Cl"	69.938804
"552473"	519.543652	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+2Cl"	69.938804
"1022000"	196.494152	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2Cl"	69.938804
"1242675"	401.968385	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Br"	78.918885
"1305854"	404.024372	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Cl+HCOOH"	80.974872
"1322621"	426.006329	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Cl+NaCOOH"	102.956829
"914771"	436.035086	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M-H+CF3COOH"	112.985586
"1298042"	472.011764	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Cl+CF3COOH"	148.962264
"1376204"	288.036824	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H-2H2O"	-35.012676
"1391513"	306.0468	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H-H2O"	-17.0027
"292293"	647.106276	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+H"	1.007276
"685808"	970.155776	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+H"	1.007276
"1361064"	324.056776	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H"	1.007276
"137964"	324.056776	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+2H"	2.014552
"578618"	485.581526	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+2H"	2.014552
"1049603"	162.532026	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2H"	2.014552
"210219"	216.373609333333	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+3H"	3.021828
"647225"	324.056776	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+3H"	3.021828
"1164621"	108.690442666667	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+3H"	3.021828
"426071"	664.132823	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+NH4"	18.033823
"788891"	987.182323	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+NH4"	18.033823
"1685584"	341.083323	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+NH4"	18.033823
"332768"	332.5700495	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+H+NH4"	19.041099
"726283"	494.0947995	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+H+NH4"	19.041099
"1487395"	171.0452995	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H+NH4"	19.041099
"398418"	669.088218	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+Na"	22.989218
"759413"	992.137718	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+Na"	22.989218
"1610793"	346.038718	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Na"	22.989218
"320830"	335.047747	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+H+Na"	23.996494
"711062"	496.572497	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+H+Na"	23.996494
"1470350"	173.522997	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H+Na"	23.996494
"1062501"	116.017756666667	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2H+Na"	25.00377
"1261993"	356.082986	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+CH3OH+H"	33.033486
"381662"	685.062158	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+K"	38.963158
"751410"	1008.111658	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+K"	38.963158
"1554198"	362.012658	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+K"	38.963158
"311740"	343.034717	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+H+K"	39.970434
"703067"	504.559467	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+H+K"	39.970434
"1456885"	181.509967	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H+K"	39.970434
"247677"	688.132826	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+ACN+H"	42.033826
"1221479"	365.083326	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+ACN+H"	42.033826
"1208400"	183.045301	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+ACN+2H"	43.041102
"202853"	691.07016	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+2Na-H"	44.97116
"639981"	1014.11966	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+2Na-H"	44.97116
"1146693"	368.02066	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2Na-H"	44.97116
"187517"	346.038718	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+2Na"	45.978436
"628086"	507.563468	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+2Na"	45.978436
"1126573"	184.513968	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2Na"	45.978436
"1409001"	123.345070666667	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H+2Na"	46.985712
"1442214"	370.062246	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H+HCOOH"	47.012746
"230086"	351.07174	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+3H2O+2H"	56.04448
"1516329"	384.11429	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+IsoProp+H"	61.06479
"420388"	354.025688	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+Na+K"	61.952376
"779926"	515.550438	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+Na+K"	61.952376
"1678082"	192.500938	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Na+K"	61.952376
"262051"	710.114768	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+ACN+Na"	64.015768
"1238403"	387.065268	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+ACN+Na"	64.015768
"1725467"	387.088793	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+NH4+HCOOH"	64.039293
"1187171"	130.672384666667	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+3Na"	68.967654
"1659980"	392.044188	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Na+HCOOH"	68.994688
"168302"	723.01804	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+2K-H"	76.91904
"605674"	1046.06754	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+2K-H"	76.91904
"1093468"	399.96854	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2K-H"	76.91904
"151742"	362.012658	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"2M+2K"	77.926316
"591669"	523.537408	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"3M+2K"	77.926316
"1079460"	200.487908	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2K"	77.926316
"1112308"	401.983092	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2K+H"	78.933592
"1339577"	402.070707	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+DMSO+H"	79.021207
"1014667"	406.109876	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2ACN+H"	83.060376
"1529512"	407.103508	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+IsoProp+Na+H"	84.054008
"993774"	203.558576	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+2ACN+2H"	84.067652
"1591562"	408.018128	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+K+HCOOH"	84.968628
"1421597"	438.049638	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+H+CF3COOH"	115.000138
"1148967"	224.071851	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+3ACN+2H"	125.094202
"1703625"	455.076185	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+NH4+CF3COOH"	132.026685
"1637088"	460.03158	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+Na+CF3COOH"	136.98208
"1582583"	476.00552	"C15617"	"Pirinixic acid"	"C14H14ClN3O2S"	"323.0495"	"M+K+CF3COOH"	152.95602
"812950"	328.1675	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M"	0
"983202"	309.14911	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-H2O-H"	-19.01839
"74726"	217.771057333333	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M-3H"	-3.021828
"509915"	327.160224	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M-3H"	-3.021828
"893182"	108.381890666667	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-3H"	-3.021828
"5199"	327.160224	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M-2H"	-2.014552
"444756"	491.243974	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M-2H"	-2.014552
"820734"	163.076474	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-2H"	-2.014552
"93783"	655.327724	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M-H"	-1.007276
"533665"	983.495224	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M-H"	-1.007276
"906482"	327.160224	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-H"	-1.007276
"56487"	672.354271	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M-2H+NH4"	16.019271
"492766"	1000.521771	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M-2H+NH4"	16.019271
"866921"	344.186771	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-2H+NH4"	16.019271
"32998"	677.309666	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M-2H+Na"	20.974666
"472922"	1005.477166	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M-2H+Na"	20.974666
"849387"	349.142166	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-2H+Na"	20.974666
"1620981"	349.142166	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Na-2H"	20.974666
"96416"	345.148563	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M-H+Cl"	33.962126
"535010"	509.232313	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M-H+Cl"	33.962126
"929856"	181.064813	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-H+Cl"	33.962126
"280092"	691.304402	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+Cl"	34.969402
"664862"	1019.471902	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+Cl"	34.969402
"1276169"	363.136902	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Cl"	34.969402
"24193"	693.283606	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M-2H+K"	36.948606
"463754"	1021.451106	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M-2H+K"	36.948606
"837184"	365.116106	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-2H+K"	36.948606
"1557755"	365.116106	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+K-2H"	36.948606
"946367"	373.165694	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-H+HCOOH"	44.998194
"366771"	701.333201	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+HCOOH-H"	44.998201
"350655"	715.348851	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+Hac-H"	59.013851
"1494018"	387.181351	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Hac-H"	59.013851
"961196"	395.147651	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-H+NaCOOH"	66.980151
"112659"	363.136902	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+2Cl"	69.938804
"552583"	527.220652	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+2Cl"	69.938804
"1023571"	199.053152	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2Cl"	69.938804
"1244242"	407.086385	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Br"	78.918885
"1307421"	409.142372	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Cl+HCOOH"	80.974872
"1323458"	431.124329	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Cl+NaCOOH"	102.956829
"914151"	441.153086	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M-H+CF3COOH"	112.985586
"1294872"	477.129764	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Cl+CF3COOH"	148.962264
"1375221"	293.154824	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H-2H2O"	-35.012676
"1387614"	311.1648	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H-H2O"	-17.0027
"290216"	657.342276	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+H"	1.007276
"683730"	985.509776	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+H"	1.007276
"1362266"	329.174776	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H"	1.007276
"137341"	329.174776	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+2H"	2.014552
"576903"	493.258526	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+2H"	2.014552
"1047887"	165.091026	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2H"	2.014552
"207777"	219.785609333333	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+3H"	3.021828
"646243"	329.174776	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+3H"	3.021828
"1165098"	110.396442666667	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+3H"	3.021828
"426180"	674.368823	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+NH4"	18.033823
"787178"	1002.536323	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+NH4"	18.033823
"1682410"	346.201323	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+NH4"	18.033823
"332146"	337.6880495	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+H+NH4"	19.041099
"725298"	501.7717995	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+H+NH4"	19.041099
"1479849"	173.6042995	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H+NH4"	19.041099
"395248"	679.324218	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+Na"	22.989218
"757337"	1007.491718	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+Na"	22.989218
"1609811"	351.156718	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Na"	22.989218
"324220"	340.165747	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+H+Na"	23.996494
"713359"	504.249497	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+H+Na"	23.996494
"1470459"	176.081997	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H+Na"	23.996494
"1064798"	117.723756666667	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2H+Na"	25.00377
"1264290"	361.200986	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+CH3OH+H"	33.033486
"385053"	695.298158	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+K"	38.963158
"754030"	1023.465658	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+K"	38.963158
"1552485"	367.130658	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+K"	38.963158
"308570"	348.152717	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+H+K"	39.970434
"705363"	512.236467	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+H+K"	39.970434
"1452623"	184.068967	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H+K"	39.970434
"246693"	698.368826	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+ACN+H"	42.033826
"1222682"	370.201326	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+ACN+H"	42.033826
"1205474"	185.604301	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+ACN+2H"	43.041102
"203732"	701.30616	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+2Na-H"	44.97116
"638998"	1029.47366	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+2Na-H"	44.97116
"1146153"	373.13866	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2Na-H"	44.97116
"187987"	351.156718	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+2Na"	45.978436
"627790"	515.240468	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+2Na"	45.978436
"1125586"	187.072968	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2Na"	45.978436
"1406924"	125.051070666667	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H+2Na"	46.985712
"1442687"	375.180246	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H+HCOOH"	47.012746
"230561"	356.18974	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+3H2O+2H"	56.04448
"1520081"	389.23229	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+IsoProp+H"	61.06479
"421590"	359.143688	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+Na+K"	61.952376
"782950"	523.227438	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+Na+K"	61.952376
"1677458"	195.059938	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Na+K"	61.952376
"265802"	720.350768	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+ACN+Na"	64.015768
"1239240"	392.183268	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+ACN+Na"	64.015768
"1727157"	392.206793	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+NH4+HCOOH"	64.039293
"1186190"	132.378384666667	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+3Na"	68.967654
"1656081"	397.162188	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Na+HCOOH"	68.994688
"164038"	733.25404	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+2K-H"	76.91904
"604691"	1061.42154	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+2K-H"	76.91904
"1091392"	405.08654	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2K-H"	76.91904
"151488"	367.130658	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"2M+2K"	77.926316
"591051"	531.214408	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"3M+2K"	77.926316
"1077750"	203.046908	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2K"	77.926316
"1112052"	407.101092	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2K+H"	78.933592
"1340780"	407.188707	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+DMSO+H"	79.021207
"1011498"	411.227876	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2ACN+H"	83.060376
"1527437"	412.221508	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+IsoProp+Na+H"	84.054008
"993884"	206.117576	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+2ACN+2H"	84.067652
"1589486"	413.136128	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+K+HCOOH"	84.968628
"1419521"	443.167638	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+H+CF3COOH"	115.000138
"1147416"	226.630851	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+3ACN+2H"	125.094202
"1700456"	460.194185	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+NH4+CF3COOH"	132.026685
"1634443"	465.14958	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+Na+CF3COOH"	136.98208
"1582693"	481.12352	"C15618"	"Sobetirome;GC-1"	"C20H24O4"	"328.1675"	"M+K+CF3COOH"	152.95602
"815979"	351.1834	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M"	0
"986592"	332.16501	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-H2O-H"	-19.01839
"74836"	233.114990666667	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M-3H"	-3.021828
"510025"	350.176124	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M-3H"	-3.021828
"893292"	116.053857333333	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-3H"	-3.021828
"7495"	350.176124	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M-2H"	-2.014552
"445959"	525.767824	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M-2H"	-2.014552
"820480"	174.584424	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-2H"	-2.014552
"91055"	701.359524	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M-H"	-1.007276
"529887"	1052.542924	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M-H"	-1.007276
"906591"	350.176124	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-H"	-1.007276
"57689"	718.386071	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M-2H+NH4"	16.019271
"489960"	1069.569471	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M-2H+NH4"	16.019271
"868855"	367.202671	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-2H+NH4"	16.019271
"32378"	723.341466	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M-2H+Na"	20.974666
"472060"	1074.524866	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M-2H+Na"	20.974666
"849492"	372.158066	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-2H+Na"	20.974666
"1619754"	372.158066	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Na-2H"	20.974666
"95071"	368.164463	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M-H+Cl"	33.962126
"534428"	543.756163	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M-H+Cl"	33.962126
"928509"	192.572763	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-H+Cl"	33.962126
"276922"	737.336202	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+Cl"	34.969402
"661692"	1088.519602	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+Cl"	34.969402
"1276279"	386.152802	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Cl"	34.969402
"24303"	739.315406	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M-2H+K"	36.948606
"462769"	1090.498806	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M-2H+K"	36.948606
"842758"	388.132006	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-2H+K"	36.948606
"1561873"	388.132006	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+K-2H"	36.948606
"948662"	396.181594	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-H+HCOOH"	44.998194
"364693"	747.365001	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+HCOOH-H"	44.998201
"349670"	761.380651	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+Hac-H"	59.013851
"1495222"	410.197251	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Hac-H"	59.013851
"960579"	418.163551	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-H+NaCOOH"	66.980151
"112769"	386.152802	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+2Cl"	69.938804
"551236"	561.744502	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+2Cl"	69.938804
"1022221"	210.561102	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2Cl"	69.938804
"1244352"	430.102285	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Br"	78.918885
"1307166"	432.158272	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Cl+HCOOH"	80.974872
"1321136"	454.140229	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Cl+NaCOOH"	102.956829
"911870"	464.168986	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M-H+CF3COOH"	112.985586
"1294982"	500.145664	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Cl+CF3COOH"	148.962264
"1371684"	316.170724	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H-2H2O"	-35.012676
"1388816"	334.1807	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H-H2O"	-17.0027
"289233"	703.374076	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+H"	1.007276
"683840"	1054.557476	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+H"	1.007276
"1360189"	352.190676	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H"	1.007276
"136358"	352.190676	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+2H"	2.014552
"576650"	527.782376	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+2H"	2.014552
"1045809"	176.598976	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2H"	2.014552
"207887"	235.129542666667	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+3H"	3.021828
"645986"	352.190676	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+3H"	3.021828
"1167030"	118.068409333333	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+3H"	3.021828
"425076"	720.400623	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+NH4"	18.033823
"788380"	1071.584023	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+NH4"	18.033823
"1681792"	369.217223	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+NH4"	18.033823
"330800"	360.7039495	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+H+NH4"	19.041099
"724314"	536.2956495	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+H+NH4"	19.041099
"1481052"	185.1122495	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H+NH4"	19.041099
"395357"	725.356018	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+Na"	22.989218
"756356"	1076.539418	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+Na"	22.989218
"1609922"	374.172618	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Na"	22.989218
"325424"	363.181647	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+H+Na"	23.996494
"711284"	538.773347	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+H+Na"	23.996494
"1470569"	187.589947	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H+Na"	23.996494
"1064908"	125.395723333333	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2H+Na"	25.00377
"1265494"	384.216886	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+CH3OH+H"	33.033486
"385163"	741.329958	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+K"	38.963158
"750169"	1092.513358	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+K"	38.963158
"1553323"	390.146558	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+K"	38.963158
"309773"	371.168617	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+H+K"	39.970434
"705352"	546.760317	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+H+K"	39.970434
"1456015"	195.576917	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H+K"	39.970434
"245710"	744.400626	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+ACN+H"	42.033826
"1222671"	393.217226	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+ACN+H"	42.033826
"1205584"	197.112251	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+ACN+2H"	43.041102
"203315"	747.33796	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+2Na-H"	44.97116
"640202"	1098.52136	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+2Na-H"	44.97116
"1146267"	396.15456	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2Na-H"	44.97116
"188100"	374.172618	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+2Na"	45.978436
"627902"	549.764318	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+2Na"	45.978436
"1126425"	198.580918	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2Na"	45.978436
"1408858"	132.723037333333	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H+2Na"	46.985712
"1442069"	398.196146	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H+HCOOH"	47.012746
"228848"	379.20564	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+3H2O+2H"	56.04448
"1517639"	412.24819	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+IsoProp+H"	61.06479
"416596"	382.159588	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+Na+K"	61.952376
"783059"	557.751288	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+Na+K"	61.952376
"1676475"	206.567888	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Na+K"	61.952376
"263360"	766.382568	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+ACN+Na"	64.015768
"1239350"	415.199168	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+ACN+Na"	64.015768
"1725320"	415.222693	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+NH4+HCOOH"	64.039293
"1187396"	140.050351333333	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+3Na"	68.967654
"1657286"	420.178088	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Na+HCOOH"	68.994688
"164147"	779.28584	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+2K-H"	76.91904
"603708"	1130.46924	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+2K-H"	76.91904
"1092595"	428.10244	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2K-H"	76.91904
"150505"	390.146558	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"2M+2K"	77.926316
"588973"	565.738258	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"3M+2K"	77.926316
"1074579"	214.554858	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2K"	77.926316
"1112162"	430.116992	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2K+H"	78.933592
"1338703"	430.204607	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+DMSO+H"	79.021207
"1013794"	434.243776	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2ACN+H"	83.060376
"1527547"	435.237408	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+IsoProp+Na+H"	84.054008
"991807"	217.625526	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+2ACN+2H"	84.067652
"1588138"	436.152028	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+K+HCOOH"	84.968628
"1419632"	466.183538	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+H+CF3COOH"	115.000138
"1148458"	238.138801	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+3ACN+2H"	125.094202
"1700566"	483.210085	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+NH4+CF3COOH"	132.026685
"1634511"	488.16548	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+Na+CF3COOH"	136.98208
"1582803"	504.13942	"C15619"	"Am 580"	"C22H25NO3"	"351.1834"	"M+K+CF3COOH"	152.95602
"812077"	635.2607	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M"	0
"983422"	616.24231	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-H2O-H"	-19.01839
"74948"	422.499857333333	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M-3H"	-3.021828
"506855"	634.253424	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M-3H"	-3.021828
"893402"	210.746290666667	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-3H"	-3.021828
"7605"	634.253424	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M-2H"	-2.014552
"444977"	951.883774	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M-2H"	-2.014552
"821685"	316.623074	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-2H"	-2.014552
"90436"	1269.514124	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M-H"	-1.007276
"531091"	1904.774824	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M-H"	-1.007276
"903422"	634.253424	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-H"	-1.007276
"57800"	1286.540671	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M-2H+NH4"	16.019271
"490433"	1921.801371	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M-2H+NH4"	16.019271
"866777"	651.279971	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-2H+NH4"	16.019271
"33218"	1291.496066	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M-2H+Na"	20.974666
"471596"	1926.756766	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M-2H+Na"	20.974666
"849843"	656.235366	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-2H+Na"	20.974666
"1619015"	656.235366	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Na-2H"	20.974666
"96634"	652.241763	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M-H+Cl"	33.962126
"534420"	969.872113	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M-H+Cl"	33.962126
"928254"	334.611413	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-H+Cl"	33.962126
"280312"	1305.490802	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+Cl"	34.969402
"660300"	1940.751502	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+Cl"	34.969402
"1279671"	670.230102	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Cl"	34.969402
"23319"	1307.470006	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M-2H+K"	36.948606
"466159"	1942.730706	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M-2H+K"	36.948606
"840682"	672.209306	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-2H+K"	36.948606
"1565264"	672.209306	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+K-2H"	36.948606
"949865"	680.258894	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-H+HCOOH"	44.998194
"368084"	1315.519601	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+HCOOH-H"	44.998201
"349782"	1329.535251	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+Hac-H"	59.013851
"1495696"	694.274551	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Hac-H"	59.013851
"963243"	702.240851	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-H+NaCOOH"	66.980151
"113244"	670.230102	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+2Cl"	69.938804
"552439"	987.860452	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+2Cl"	69.938804
"1022695"	352.599752	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2Cl"	69.938804
"1243733"	714.179585	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Br"	78.918885
"1306912"	716.235572	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Cl+HCOOH"	80.974872
"1323314"	738.217529	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Cl+NaCOOH"	102.956829
"913278"	748.246286	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M-H+CF3COOH"	112.985586
"1293999"	784.222964	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Cl+CF3COOH"	148.962264
"1371066"	600.248024	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H-2H2O"	-35.012676
"1391843"	618.258	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H-H2O"	-17.0027
"290437"	1271.528676	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+H"	1.007276
"683950"	1906.789376	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+H"	1.007276
"1363581"	636.267976	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H"	1.007276
"136468"	636.267976	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+2H"	2.014552
"578581"	953.898326	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+2H"	2.014552
"1047013"	318.637626	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2H"	2.014552
"209456"	424.514409333333	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+3H"	3.021828
"646462"	636.267976	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+3H"	3.021828
"1168234"	212.760842666667	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+3H"	3.021828
"427492"	1288.555223	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+NH4"	18.033823
"788127"	1923.815923	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+NH4"	18.033823
"1683362"	653.294523	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+NH4"	18.033823
"331638"	644.7812495	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+H+NH4"	19.041099
"725521"	962.4115995	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+H+NH4"	19.041099
"1484444"	327.1508995	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H+NH4"	19.041099
"396560"	1293.510618	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+Na"	22.989218
"758652"	1928.771318	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+Na"	22.989218
"1607843"	658.249918	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Na"	22.989218
"320067"	647.258947	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+H+Na"	23.996494
"715767"	964.889297	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+H+Na"	23.996494
"1472866"	329.628597	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H+Na"	23.996494
"1062831"	220.088156666667	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2H+Na"	25.00377
"1267791"	668.294186	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+CH3OH+H"	33.033486
"385272"	1309.484558	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+K"	38.963158
"749550"	1944.745258	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+K"	38.963158
"1549427"	674.223858	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+K"	38.963158
"307696"	655.245917	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+H+K"	39.970434
"703033"	972.876267	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+H+K"	39.970434
"1450659"	337.615567	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H+K"	39.970434
"246552"	1312.555226	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+ACN+H"	42.033826
"1217435"	677.294526	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+ACN+H"	42.033826
"1201320"	339.150901	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+ACN+2H"	43.041102
"197473"	1315.49256	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+2Na-H"	44.97116
"640312"	1950.75326	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+2Na-H"	44.97116
"1145159"	680.23186	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2Na-H"	44.97116
"182736"	658.249918	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+2Na"	45.978436
"627645"	975.880268	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+2Na"	45.978436
"1123619"	340.619568	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2Na"	45.978436
"1407144"	227.415470666667	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H+2Na"	46.985712
"1441450"	682.273446	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H+HCOOH"	47.012746
"231510"	663.28294	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+3H2O+2H"	56.04448
"1519208"	696.32549	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+IsoProp+H"	61.06479
"417801"	666.236888	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+Na+K"	61.952376
"779892"	983.867238	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+Na+K"	61.952376
"1678409"	348.606538	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Na+K"	61.952376
"263835"	1334.537168	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+ACN+Na"	64.015768
"1235451"	699.276468	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+ACN+Na"	64.015768
"1719965"	699.299993	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+NH4+HCOOH"	64.039293
"1187507"	234.742784666667	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+3Na"	68.967654
"1657396"	704.255388	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Na+HCOOH"	68.994688
"160978"	1347.44044	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+2K-H"	76.91904
"603816"	1982.70114	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+2K-H"	76.91904
"1091610"	712.17974	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2K-H"	76.91904
"149523"	674.223858	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"2M+2K"	77.926316
"591270"	991.854208	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"3M+2K"	77.926316
"1071406"	356.593508	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2K"	77.926316
"1111178"	714.194292	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2K+H"	78.933592
"1345377"	714.281907	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+DMSO+H"	79.021207
"1019254"	718.321076	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2ACN+H"	83.060376
"1525470"	719.314708	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+IsoProp+Na+H"	84.054008
"990822"	359.664176	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+2ACN+2H"	84.067652
"1588977"	720.229328	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+K+HCOOH"	84.968628
"1418648"	750.260838	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+H+CF3COOH"	115.000138
"1148205"	380.177451	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+3ACN+2H"	125.094202
"1699582"	767.287385	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+NH4+CF3COOH"	132.026685
"1634180"	772.24278	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+Na+CF3COOH"	136.98208
"1571610"	788.21672	"C15620"	"GW 6471"	"C35H36F3N3O5"	"635.2607"	"M+K+CF3COOH"	152.95602
"812187"	502.3229	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M"	0
"980251"	483.30451	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-H2O-H"	-19.01839
"75057"	333.874657333333	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M-3H"	-3.021828
"506965"	501.315624	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M-3H"	-3.021828
"892057"	166.433690666667	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-3H"	-3.021828
"7715"	501.315624	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M-2H"	-2.014552
"441806"	752.477074	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M-2H"	-2.014552
"820700"	250.154174	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-2H"	-2.014552
"90548"	1003.638524	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M-H"	-1.007276
"531200"	1505.961424	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M-H"	-1.007276
"905719"	501.315624	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-H"	-1.007276
"57911"	1020.665071	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M-2H+NH4"	16.019271
"494192"	1522.987971	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M-2H+NH4"	16.019271
"867620"	518.342171	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-2H+NH4"	16.019271
"36611"	1025.620466	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M-2H+Na"	20.974666
"473987"	1527.943366	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M-2H+Na"	20.974666
"851055"	523.297566	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-2H+Na"	20.974666
"1620587"	523.297566	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Na-2H"	20.974666
"96753"	519.303963	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M-H+Cl"	33.962126
"535583"	770.465413	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M-H+Cl"	33.962126
"929099"	268.142513	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-H+Cl"	33.962126
"280063"	1039.615202	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+Cl"	34.969402
"661912"	1541.938102	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+Cl"	34.969402
"1281968"	537.292302	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Cl"	34.969402
"26711"	1041.594406	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M-2H+K"	36.948606
"466270"	1543.917306	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M-2H+K"	36.948606
"842981"	539.271506	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-2H+K"	36.948606
"1563188"	539.271506	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+K-2H"	36.948606
"949977"	547.321094	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-H+HCOOH"	44.998194
"366007"	1049.644001	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+HCOOH-H"	44.998201
"352078"	1063.659651	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+Hac-H"	59.013851
"1497265"	561.336751	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Hac-H"	59.013851
"961891"	569.303051	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-H+NaCOOH"	66.980151
"115175"	537.292302	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+2Cl"	69.938804
"555828"	788.453752	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+2Cl"	69.938804
"1022440"	286.130852	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2Cl"	69.938804
"1242018"	581.241785	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Br"	78.918885
"1306658"	583.297772	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Cl+HCOOH"	80.974872
"1324156"	605.279729	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Cl+NaCOOH"	102.956829
"913025"	615.308486	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M-H+CF3COOH"	112.985586
"1296295"	651.285164	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Cl+CF3COOH"	148.962264
"1369353"	467.310224	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H-2H2O"	-35.012676
"1388672"	485.3202	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H-H2O"	-17.0027
"293826"	1005.653076	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+H"	1.007276
"684060"	1507.975976	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+H"	1.007276
"1364056"	503.330176	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H"	1.007276
"134391"	503.330176	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+2H"	2.014552
"576139"	754.491626	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+2H"	2.014552
"1047123"	252.168726	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2H"	2.014552
"211752"	335.889209333333	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+3H"	3.021828
"646691"	503.330176	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+3H"	3.021828
"1168343"	168.448242666667	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+3H"	3.021828
"428700"	1022.679623	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+NH4"	18.033823
"788237"	1525.002523	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+NH4"	18.033823
"1684928"	520.356723	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+NH4"	18.033823
"333937"	511.8434495	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+H+NH4"	19.041099
"727453"	763.0048995	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+H+NH4"	19.041099
"1483463"	260.6819995	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H+NH4"	19.041099
"398859"	1027.635018	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+Na"	22.989218
"759854"	1529.957918	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+Na"	22.989218
"1610141"	525.312118	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Na"	22.989218
"324551"	514.321147	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+H+Na"	23.996494
"715880"	765.482597	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+H+Na"	23.996494
"1475165"	263.159697	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H+Na"	23.996494
"1064034"	175.775556666667	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2H+Na"	25.00377
"1266809"	535.356386	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+CH3OH+H"	33.033486
"385383"	1043.608958	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+K"	38.963158
"750753"	1545.931858	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+K"	38.963158
"1553547"	541.286058	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+K"	38.963158
"309991"	522.308117	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+H+K"	39.970434
"703507"	773.469567	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+H+K"	39.970434
"1452956"	271.146667	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H+K"	39.970434
"242652"	1046.679626	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+ACN+H"	42.033826
"1219732"	544.356726	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+ACN+H"	42.033826
"1203617"	272.682001	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+ACN+2H"	43.041102
"199769"	1049.61696	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+2Na-H"	44.97116
"640422"	1551.93986	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+2Na-H"	44.97116
"1145876"	547.29406	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2Na-H"	44.97116
"180659"	525.312118	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+2Na"	45.978436
"627756"	776.473568	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+2Na"	45.978436
"1123729"	274.150668	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2Na"	45.978436
"1411266"	183.102870666667	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H+2Na"	46.985712
"1443384"	549.335646	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H+HCOOH"	47.012746
"231986"	530.34514	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+3H2O+2H"	56.04448
"1521139"	563.38769	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+IsoProp+H"	61.06479
"419002"	533.299088	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+Na+K"	61.952376
"781094"	784.460538	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+Na+K"	61.952376
"1677789"	282.137638	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Na+K"	61.952376
"264309"	1068.661568	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+ACN+Na"	64.015768
"1237748"	566.338668	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+ACN+Na"	64.015768
"1721170"	566.362193	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+NH4+HCOOH"	64.039293
"1183242"	190.430184666667	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+3Na"	68.967654
"1653134"	571.317588	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Na+HCOOH"	68.994688
"158902"	1081.56484	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+2K-H"	76.91904
"607209"	1583.88774	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+2K-H"	76.91904
"1089535"	579.24194	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2K-H"	76.91904
"147445"	541.286058	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"2M+2K"	77.926316
"590285"	792.447508	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"3M+2K"	77.926316
"1071516"	290.124608	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2K"	77.926316
"1103633"	581.256492	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2K+H"	78.933592
"1346581"	581.344107	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+DMSO+H"	79.021207
"1019118"	585.383276	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2ACN+H"	83.060376
"1535422"	586.376908	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+IsoProp+Na+H"	84.054008
"1001870"	293.195276	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+2ACN+2H"	84.067652
"1589816"	587.291528	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+K+HCOOH"	84.968628
"1415840"	617.323038	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+H+CF3COOH"	115.000138
"1148677"	313.708551	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+3ACN+2H"	125.094202
"1697627"	634.349585	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+NH4+CF3COOH"	132.026685
"1638624"	639.30498	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+Na+CF3COOH"	136.98208
"1573180"	655.27892	"C15622"	"GW 7647"	"C29H46N2O3S"	"502.3229"	"M+K+CF3COOH"	152.95602
"804642"	510.2155	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M"	0
"979267"	491.19711	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-H2O-H"	-19.01839
"75167"	339.136390666667	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M-3H"	-3.021828
"507075"	509.208224	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M-3H"	-3.021828
"889250"	169.064557333333	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-3H"	-3.021828
"4545"	509.208224	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M-2H"	-2.014552
"443010"	764.315974	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M-2H"	-2.014552
"821906"	254.100474	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-2H"	-2.014552
"92724"	1019.423724	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M-H"	-1.007276
"532282"	1529.639224	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M-H"	-1.007276
"908867"	509.208224	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-H"	-1.007276
"61909"	1036.450271	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M-2H+NH4"	16.019271
"492115"	1546.665771	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M-2H+NH4"	16.019271
"867361"	526.234771	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-2H+NH4"	16.019271
"35624"	1041.405666	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M-2H+Na"	20.974666
"473117"	1551.621166	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M-2H+Na"	20.974666
"851898"	531.190166	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-2H+Na"	20.974666
"1621425"	531.190166	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Na-2H"	20.974666
"96494"	527.196563	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M-H+Cl"	33.962126
"536785"	782.304313	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M-H+Cl"	33.962126
"929939"	272.088813	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-H+Cl"	33.962126
"280167"	1055.400402	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+Cl"	34.969402
"670769"	1565.615902	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+Cl"	34.969402
"1284995"	545.184902	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Cl"	34.969402
"27914"	1057.379606	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M-2H+K"	36.948606
"467473"	1567.595106	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M-2H+K"	36.948606
"844184"	547.164106	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-2H+K"	36.948606
"1566577"	547.164106	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+K-2H"	36.948606
"952273"	555.213694	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-H+HCOOH"	44.998194
"366483"	1065.429201	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+HCOOH-H"	44.998201
"350365"	1079.444851	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+Hac-H"	59.013851
"1496646"	569.229351	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Hac-H"	59.013851
"964191"	577.195651	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-H+NaCOOH"	66.980151
"115650"	545.184902	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+2Cl"	69.938804
"553753"	800.292652	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+2Cl"	69.938804
"1024009"	290.077152	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2Cl"	69.938804
"1242859"	589.134385	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Br"	78.918885
"1306766"	591.190372	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Cl+HCOOH"	80.974872
"1324628"	613.172329	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Cl+NaCOOH"	102.956829
"914227"	623.201086	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M-H+CF3COOH"	112.985586
"1293488"	659.177764	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Cl+CF3COOH"	148.962264
"1372379"	475.202824	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H-2H2O"	-35.012676
"1388782"	493.2128	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H-H2O"	-17.0027
"290656"	1021.438276	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+H"	1.007276
"679430"	1531.653776	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+H"	1.007276
"1356145"	511.222776	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H"	1.007276
"130125"	511.222776	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+2H"	2.014552
"570780"	766.330526	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+2H"	2.014552
"1047231"	256.115026	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2H"	2.014552
"214049"	341.150942666667	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+3H"	3.021828
"649234"	511.222776	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+3H"	3.021828
"1169546"	171.079109333333	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+3H"	3.021828
"433911"	1038.464823	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+NH4"	18.033823
"787982"	1548.680323	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+NH4"	18.033823
"1685040"	528.249323	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+NH4"	18.033823
"335143"	519.7360495	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+H+NH4"	19.041099
"725011"	774.8437995	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+H+NH4"	19.041099
"1479196"	264.6282995	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H+NH4"	19.041099
"396782"	1043.420218	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+Na"	22.989218
"757049"	1553.635718	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+Na"	22.989218
"1609159"	533.204718	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Na"	22.989218
"323568"	522.213747	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+H+Na"	23.996494
"712710"	777.321497	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+H+Na"	23.996494
"1470904"	267.105997	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H+Na"	23.996494
"1058680"	178.406423333333	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2H+Na"	25.00377
"1262547"	543.248986	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+CH3OH+H"	33.033486
"386587"	1059.394158	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+K"	38.963158
"747584"	1569.609658	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+K"	38.963158
"1549646"	549.178658	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+K"	38.963158
"307915"	530.200717	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+H+K"	39.970434
"704708"	785.308467	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+H+K"	39.970434
"1448690"	275.092967	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H+K"	39.970434
"244949"	1062.464826	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+ACN+H"	42.033826
"1219842"	552.249326	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+ACN+H"	42.033826
"1201538"	276.628301	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+ACN+2H"	43.041102
"199878"	1065.40216	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+2Na-H"	44.97116
"643737"	1575.61766	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+2Na-H"	44.97116
"1144038"	555.18666	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2Na-H"	44.97116
"177489"	533.204718	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+2Na"	45.978436
"626889"	788.312468	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+2Na"	45.978436
"1127851"	278.096968	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2Na"	45.978436
"1411375"	185.733737333333	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H+2Na"	46.985712
"1441669"	557.228246	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H+HCOOH"	47.012746
"234161"	538.23774	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+3H2O+2H"	56.04448
"1521613"	571.28029	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+IsoProp+H"	61.06479
"420206"	541.191688	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+Na+K"	61.952376
"782662"	796.299438	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+Na+K"	61.952376
"1678993"	286.083938	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Na+K"	61.952376
"264420"	1084.446768	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+ACN+Na"	64.015768
"1237859"	574.231268	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+ACN+Na"	64.015768
"1723467"	574.254793	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+NH4+HCOOH"	64.039293
"1187727"	193.061051333333	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+3Na"	68.967654
"1655433"	579.210188	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Na+HCOOH"	68.994688
"161199"	1097.35004	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+2K-H"	76.91904
"604036"	1607.56554	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+2K-H"	76.91904
"1090738"	587.13454	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2K-H"	76.91904
"146462"	549.178658	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"2M+2K"	77.926316
"589303"	804.286408	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"3M+2K"	77.926316
"1071626"	294.070908	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2K"	77.926316
"1107023"	589.149092	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2K+H"	78.933592
"1347420"	589.236707	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+DMSO+H"	79.021207
"1017043"	593.275876	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2ACN+H"	83.060376
"1534440"	594.269508	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+IsoProp+Na+H"	84.054008
"999792"	297.141576	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+2ACN+2H"	84.067652
"1589926"	595.184128	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+K+HCOOH"	84.968628
"1416679"	625.215638	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+H+CF3COOH"	115.000138
"1148423"	317.654851	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+3ACN+2H"	125.094202
"1698709"	642.242185	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+NH4+CF3COOH"	132.026685
"1635817"	647.19758	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+Na+CF3COOH"	136.98208
"1573290"	663.17152	"C15623"	"GW 409544;GW 9544"	"C31H30N2O5"	"510.2155"	"M+K+CF3COOH"	152.95602
"810219"	580.1099	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M"	0
"981564"	561.09151	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-H2O-H"	-19.01839
"75277"	385.732657333333	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M-3H"	-3.021828
"510465"	579.102624	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M-3H"	-3.021828
"891547"	192.362690666667	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-3H"	-3.021828
"2467"	579.102624	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M-2H"	-2.014552
"445307"	869.157574	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M-2H"	-2.014552
"820193"	289.047674	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-2H"	-2.014552
"86387"	1159.212524	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M-H"	-1.007276
"532271"	1739.322424	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M-H"	-1.007276
"909829"	579.102624	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-H"	-1.007276
"60317"	1176.239071	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M-2H+NH4"	16.019271
"491132"	1756.348971	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M-2H+NH4"	16.019271
"867106"	596.129171	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-2H+NH4"	16.019271
"34642"	1181.194466	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M-2H+Na"	20.974666
"475294"	1761.304366	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M-2H+Na"	20.974666
"852008"	601.084566	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-2H+Na"	20.974666
"1622634"	601.084566	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Na-2H"	20.974666
"97701"	597.090963	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M-H+Cl"	33.962126
"537628"	887.145913	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M-H+Cl"	33.962126
"930049"	307.036013	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-H+Cl"	33.962126
"281736"	1195.189202	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+Cl"	34.969402
"671974"	1775.299102	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+Cl"	34.969402
"1285104"	615.079302	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Cl"	34.969402
"25836"	1197.168406	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M-2H+K"	36.948606
"463209"	1777.278306	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M-2H+K"	36.948606
"847858"	617.058506	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-2H+K"	36.948606
"1565596"	617.058506	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+K-2H"	36.948606
"954571"	625.108094	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-H+HCOOH"	44.998194
"369508"	1205.218001	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+HCOOH-H"	44.998201
"351933"	1219.233651	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+Hac-H"	59.013851
"1500037"	639.123751	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Hac-H"	59.013851
"966488"	647.090051	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-H+NaCOOH"	66.980151
"113209"	615.079302	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+2Cl"	69.938804
"555322"	905.134252	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+2Cl"	69.938804
"1023756"	325.024352	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2Cl"	69.938804
"1244428"	659.028785	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Br"	78.918885
"1311252"	661.084772	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Cl+HCOOH"	80.974872
"1326559"	683.066729	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Cl+NaCOOH"	102.956829
"917983"	693.095486	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M-H+CF3COOH"	112.985586
"1295422"	729.072164	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Cl+CF3COOH"	148.962264
"1373582"	545.097224	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H-2H2O"	-35.012676
"1392172"	563.1072	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H-H2O"	-17.0027
"290766"	1161.227076	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+H"	1.007276
"680998"	1741.336976	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+H"	1.007276
"1360628"	581.117176	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H"	1.007276
"132422"	581.117176	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+2H"	2.014552
"574169"	871.172126	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+2H"	2.014552
"1049527"	291.062226	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2H"	2.014552
"217074"	387.747209333333	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+3H"	3.021828
"652624"	581.117176	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+3H"	3.021828
"1174029"	194.377242666667	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+3H"	3.021828
"435843"	1178.253623	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+NH4"	18.033823
"791737"	1758.363523	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+NH4"	18.033823
"1686972"	598.143723	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+NH4"	18.033823
"336346"	589.6304495	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+H+NH4"	19.041099
"729860"	879.6853995	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+H+NH4"	19.041099
"1482587"	299.5754995	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H+NH4"	19.041099
"397986"	1183.209018	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+Na"	22.989218
"758252"	1763.318918	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+Na"	22.989218
"1611457"	603.099118	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Na"	22.989218
"324773"	592.108147	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+H+Na"	23.996494
"715008"	882.163097	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+H+Na"	23.996494
"1472475"	302.053197	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H+Na"	23.996494
"1065350"	201.704556666667	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2H+Na"	25.00377
"1268122"	613.143386	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+CH3OH+H"	33.033486
"389977"	1199.182958	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+K"	38.963158
"751339"	1779.292858	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+K"	38.963158
"1548662"	619.073058	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+K"	38.963158
"309121"	600.095117	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+H+K"	39.970434
"706399"	890.150067	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+H+K"	39.970434
"1460463"	310.040167	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H+K"	39.970434
"242869"	1202.253626	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+ACN+H"	42.033826
"1218859"	622.143726	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+ACN+H"	42.033826
"1203835"	311.575501	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+ACN+2H"	43.041102
"198894"	1205.19096	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+2Na-H"	44.97116
"640641"	1785.30086	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+2Na-H"	44.97116
"1144148"	625.08106	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2Na-H"	44.97116
"178327"	603.099118	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+2Na"	45.978436
"627000"	893.154068	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+2Na"	45.978436
"1127231"	313.044168	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2Na"	45.978436
"1411485"	209.031870666667	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H+2Na"	46.985712
"1445145"	627.122646	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H+HCOOH"	47.012746
"234758"	608.13214	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+3H2O+2H"	56.04448
"1521725"	641.17469	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+IsoProp+H"	61.06479
"422139"	611.086088	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+Na+K"	61.952376
"783503"	901.141038	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+Na+K"	61.952376
"1679468"	321.031138	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Na+K"	61.952376
"265625"	1224.235568	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+ACN+Na"	64.015768
"1239062"	644.125668	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+ACN+Na"	64.015768
"1725764"	644.149193	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+NH4+HCOOH"	64.039293
"1188932"	216.359184666667	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+3Na"	68.967654
"1656637"	649.104588	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Na+HCOOH"	68.994688
"165683"	1237.13884	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+2K-H"	76.91904
"608522"	1817.24874	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+2K-H"	76.91904
"1093037"	657.02894	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2K-H"	76.91904
"150948"	619.073058	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"2M+2K"	77.926316
"592696"	909.128008	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"3M+2K"	77.926316
"1080488"	329.018108	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2K"	77.926316
"1109321"	659.043492	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2K+H"	78.933592
"1350813"	659.131107	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+DMSO+H"	79.021207
"1019462"	663.170276	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2ACN+H"	83.060376
"1537832"	664.163908	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+IsoProp+Na+H"	84.054008
"1004034"	332.088776	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+2ACN+2H"	84.067652
"1592222"	665.078528	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+K+HCOOH"	84.968628
"1417882"	695.110038	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+H+CF3COOH"	115.000138
"1149262"	352.602051	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+3ACN+2H"	125.094202
"1701006"	712.136585	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+NH4+CF3COOH"	132.026685
"1636656"	717.09198	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+Na+CF3COOH"	136.98208
"1573400"	733.06592	"C15624"	"GW 2433"	"C28H28Cl3FN2O4"	"580.1099"	"M+K+CF3COOH"	152.95602
"812517"	471.0586	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M"	0
"988237"	452.04021	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-H2O-H"	-19.01839
"72107"	313.031790666667	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M-3H"	-3.021828
"510576"	470.051324	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M-3H"	-3.021828
"888377"	156.012257333333	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-3H"	-3.021828
"3671"	470.051324	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M-2H"	-2.014552
"444324"	705.580624	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M-2H"	-2.014552
"821032"	234.522024	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-2H"	-2.014552
"86497"	941.109924	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M-H"	-1.007276
"528245"	1412.168524	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M-H"	-1.007276
"910423"	470.051324	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-H"	-1.007276
"60426"	958.136471	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M-2H+NH4"	16.019271
"497799"	1429.195071	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M-2H+NH4"	16.019271
"876696"	487.077871	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-2H+NH4"	16.019271
"45324"	963.091866	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M-2H+Na"	20.974666
"476503"	1434.150466	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M-2H+Na"	20.974666
"852482"	492.033266	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-2H+Na"	20.974666
"1623108"	492.033266	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Na-2H"	20.974666
"98908"	488.039663	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M-H+Cl"	33.962126
"536279"	723.568963	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M-H+Cl"	33.962126
"928455"	252.510363	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-H+Cl"	33.962126
"275283"	977.086602	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+Cl"	34.969402
"668800"	1448.145202	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+Cl"	34.969402
"1280112"	506.028002	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Cl"	34.969402
"21572"	979.065806	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M-2H+K"	36.948606
"461496"	1450.124406	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M-2H+K"	36.948606
"840028"	508.007206	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-2H+K"	36.948606
"1563516"	508.007206	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+K-2H"	36.948606
"950306"	516.056794	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-H+HCOOH"	44.998194
"364876"	987.115401	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+HCOOH-H"	44.998201
"348759"	1001.131051	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+Hac-H"	59.013851
"1495407"	530.072451	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Hac-H"	59.013851
"967693"	538.038751	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-H+NaCOOH"	66.980151
"114778"	506.028002	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+2Cl"	69.938804
"557255"	741.557302	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+2Cl"	69.938804
"1027876"	270.498702	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2Cl"	69.938804
"1246725"	549.977485	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Br"	78.918885
"1312456"	552.033472	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Cl+HCOOH"	80.974872
"1326305"	574.015429	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Cl+NaCOOH"	102.956829
"916636"	584.044186	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M-H+CF3COOH"	112.985586
"1295532"	620.020864	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Cl+CF3COOH"	148.962264
"1373694"	436.045924	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H-2H2O"	-35.012676
"1391190"	454.0559	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H-H2O"	-17.0027
"290876"	943.124476	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+H"	1.007276
"680015"	1414.183076	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+H"	1.007276
"1360738"	472.065876	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H"	1.007276
"134719"	472.065876	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+2H"	2.014552
"574280"	707.595176	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+2H"	2.014552
"1047453"	236.536576	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2H"	2.014552
"215362"	315.046342666667	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+3H"	3.021828
"649455"	472.065876	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+3H"	3.021828
"1170857"	158.026809333333	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+3H"	3.021828
"434131"	960.151023	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+NH4"	18.033823
"789661"	1431.209623	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+NH4"	18.033823
"1687084"	489.092423	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+NH4"	18.033823
"335362"	480.5791495	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+H+NH4"	19.041099
"726693"	716.1084495	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+H+NH4"	19.041099
"1481606"	245.0498495	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H+NH4"	19.041099
"397005"	965.106418	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+Na"	22.989218
"759092"	1436.165018	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+Na"	22.989218
"1609377"	494.047818	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Na"	22.989218
"320509"	483.056847	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+H+Na"	23.996494
"711838"	718.586147	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+H+Na"	23.996494
"1467843"	247.527547	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H+Na"	23.996494
"1063277"	165.354123333333	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2H+Na"	25.00377
"1268601"	504.092086	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+CH3OH+H"	33.033486
"387899"	981.080358	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+K"	38.963158
"745611"	1452.138958	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+K"	38.963158
"1553868"	510.021758	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+K"	38.963158
"307040"	491.043817	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+H+K"	39.970434
"701648"	726.573117	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+H+K"	39.970434
"1454375"	255.514517	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H+K"	39.970434
"245165"	984.151026	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+ACN+H"	42.033826
"1217875"	513.092426	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+ACN+H"	42.033826
"1202851"	257.049851	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+ACN+2H"	43.041102
"199004"	987.08836	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+2Na-H"	44.97116
"638564"	1458.14696	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+2Na-H"	44.97116
"1144258"	516.02976	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2Na-H"	44.97116
"177709"	494.047818	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+2Na"	45.978436
"623830"	729.577118	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+2Na"	45.978436
"1128434"	258.518518	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2Na"	45.978436
"1413784"	172.681437333333	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H+2Na"	46.985712
"1444075"	518.071346	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H+HCOOH"	47.012746
"234865"	499.08084	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+3H2O+2H"	56.04448
"1520740"	532.12339	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+IsoProp+H"	61.06479
"421522"	502.034788	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+Na+K"	61.952376
"783613"	737.564088	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+Na+K"	61.952376
"1680308"	266.505488	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Na+K"	61.952376
"265735"	1006.132968	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+ACN+Na"	64.015768
"1236990"	535.074368	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+ACN+Na"	64.015768
"1724783"	535.097893	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+NH4+HCOOH"	64.039293
"1191230"	180.008751333333	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+3Na"	68.967654
"1656746"	540.053288	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Na+HCOOH"	68.994688
"163611"	1019.03624	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+2K-H"	76.91904
"606444"	1490.09484	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+2K-H"	76.91904
"1092050"	547.97764	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2K-H"	76.91904
"153244"	510.021758	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"2M+2K"	77.926316
"593899"	745.551058	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"3M+2K"	77.926316
"1079504"	274.492458	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2K"	77.926316
"1110527"	549.992192	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2K+H"	78.933592
"1348004"	550.079807	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+DMSO+H"	79.021207
"1021036"	554.118976	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2ACN+H"	83.060376
"1530284"	555.112608	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+IsoProp+Na+H"	84.054008
"1001105"	277.563126	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+2ACN+2H"	84.067652
"1591239"	556.027228	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+K+HCOOH"	84.968628
"1416899"	586.058738	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+H+CF3COOH"	115.000138
"1149373"	298.076401	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+3ACN+2H"	125.094202
"1704397"	603.085285	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+NH4+CF3COOH"	132.026685
"1638953"	608.04068	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+Na+CF3COOH"	136.98208
"1574603"	624.01462	"C15625"	"GW 0742"	"C21H17F4NO3S2"	"471.0586"	"M+K+CF3COOH"	152.95602
"813720"	495.2158	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M"	0
"987252"	476.19741	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-H2O-H"	-19.01839
"72217"	329.136590666667	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M-3H"	-3.021828
"513966"	494.208524	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M-3H"	-3.021828
"890675"	164.064657333333	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-3H"	-3.021828
"3781"	494.208524	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M-2H"	-2.014552
"444434"	741.816424	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M-2H"	-2.014552
"823329"	246.600624	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-2H"	-2.014552
"80771"	989.424324	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M-H"	-1.007276
"522886"	1484.640124	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M-H"	-1.007276
"909929"	494.208524	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-H"	-1.007276
"61267"	1006.450871	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M-2H+NH4"	16.019271
"499002"	1501.666671	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M-2H+NH4"	16.019271
"876803"	511.235071	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-2H+NH4"	16.019271
"44704"	1011.406266	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M-2H+Na"	20.974666
"471995"	1506.622066	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M-2H+Na"	20.974666
"852228"	516.190466	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-2H+Na"	20.974666
"1627229"	516.190466	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Na-2H"	20.974666
"98653"	512.196863	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M-H+Cl"	33.962126
"536756"	759.804763	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M-H+Cl"	33.962126
"927265"	264.588963	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-H+Cl"	33.962126
"277580"	1025.401002	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+Cl"	34.969402
"673284"	1520.616802	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+Cl"	34.969402
"1282408"	530.185202	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Cl"	34.969402
"23869"	1027.380206	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M-2H+K"	36.948606
"463429"	1522.596006	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M-2H+K"	36.948606
"841232"	532.164406	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-2H+K"	36.948606
"1563626"	532.164406	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+K-2H"	36.948606
"951510"	540.213994	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-H+HCOOH"	44.998194
"364986"	1035.429801	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+HCOOH-H"	44.998201
"351423"	1049.445451	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+Hac-H"	59.013851
"1494789"	554.229651	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Hac-H"	59.013851
"965615"	562.195951	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-H+NaCOOH"	66.980151
"114888"	530.185202	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+2Cl"	69.938804
"553355"	777.793102	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+2Cl"	69.938804
"1026529"	282.577302	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2Cl"	69.938804
"1246471"	574.134685	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Br"	78.918885
"1311472"	576.190672	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Cl+HCOOH"	80.974872
"1324594"	598.172629	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Cl+NaCOOH"	102.956829
"916015"	608.201386	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M-H+CF3COOH"	112.985586
"1292360"	644.178064	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Cl+CF3COOH"	148.962264
"1371617"	460.203124	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H-2H2O"	-35.012676
"1391300"	478.2131	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H-H2O"	-17.0027
"287706"	991.438876	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+H"	1.007276
"682312"	1486.654676	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+H"	1.007276
"1356474"	496.223076	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H"	1.007276
"133736"	496.223076	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+2H"	2.014552
"570019"	743.830976	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+2H"	2.014552
"1046472"	248.615176	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2H"	2.014552
"217293"	331.151142666667	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+3H"	3.021828
"651751"	496.223076	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+3H"	3.021828
"1167690"	166.079209333333	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+3H"	3.021828
"435334"	1008.465423	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+NH4"	18.033823
"790864"	1503.681223	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+NH4"	18.033823
"1690474"	513.249623	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+NH4"	18.033823
"335473"	504.7363495	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+H+NH4"	19.041099
"727897"	752.3442495	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+H+NH4"	19.041099
"1481716"	257.1284495	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H+NH4"	19.041099
"399303"	1013.420818	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+Na"	22.989218
"758110"	1508.636618	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+Na"	22.989218
"1608395"	518.205018	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Na"	22.989218
"323902"	507.214047	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+H+Na"	23.996494
"716322"	754.821947	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+H+Na"	23.996494
"1471234"	259.606147	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H+Na"	23.996494
"1064479"	173.406523333333	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2H+Na"	25.00377
"1269438"	528.249286	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+CH3OH+H"	33.033486
"389102"	1029.394758	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+K"	38.963158
"742442"	1524.610558	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+K"	38.963158
"1543403"	534.178958	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+K"	38.963158
"309337"	515.201017	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+H+K"	39.970434
"702852"	762.808917	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+H+K"	39.970434
"1457765"	267.593117	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H+K"	39.970434
"245275"	1032.465426	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+ACN+H"	42.033826
"1217985"	537.249626	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+ACN+H"	42.033826
"1201868"	269.128451	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+ACN+2H"	43.041102
"196927"	1035.40276	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+2Na-H"	44.97116
"636487"	1530.61856	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+2Na-H"	44.97116
"1138901"	540.18696	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2Na-H"	44.97116
"176726"	518.205018	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+2Na"	45.978436
"623940"	765.812918	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+2Na"	45.978436
"1128910"	270.597118	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2Na"	45.978436
"1411706"	180.733837333333	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H+2Na"	46.985712
"1440905"	542.228546	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H+HCOOH"	47.012746
"232788"	523.23804	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+3H2O+2H"	56.04448
"1521943"	556.28059	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+IsoProp+H"	61.06479
"419079"	526.191988	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+Na+K"	61.952376
"783722"	773.799888	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+Na+K"	61.952376
"1680742"	278.584088	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Na+K"	61.952376
"266573"	1054.447368	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+ACN+Na"	64.015768
"1239651"	559.231568	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+ACN+Na"	64.015768
"1725987"	559.255093	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+NH4+HCOOH"	64.039293
"1192433"	188.061151333333	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+3Na"	68.967654
"1657950"	564.210488	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Na+HCOOH"	68.994688
"161895"	1067.35064	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+2K-H"	76.91904
"601094"	1562.56644	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+2K-H"	76.91904
"1093257"	572.13484	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2K-H"	76.91904
"145698"	534.178958	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"2M+2K"	77.926316
"591822"	781.786858	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"3M+2K"	77.926316
"1073052"	286.571058	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2K"	77.926316
"1108451"	574.149392	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2K+H"	78.933592
"1348115"	574.237007	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+DMSO+H"	79.021207
"1017739"	578.276176	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2ACN+H"	83.060376
"1533674"	579.269808	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+IsoProp+Na+H"	84.054008
"997935"	289.641726	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+2ACN+2H"	84.067652
"1591349"	580.184428	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+K+HCOOH"	84.968628
"1417009"	610.215938	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+H+CF3COOH"	115.000138
"1149847"	310.155001	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+3ACN+2H"	125.094202
"1704507"	627.242485	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+NH4+CF3COOH"	132.026685
"1639063"	632.19788	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+Na+CF3COOH"	136.98208
"1573620"	648.17182	"C15626"	"GW 1929"	"C30H29N3O4"	"495.2158"	"M+K+CF3COOH"	152.95602
"803989"	276.0302	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M"	0
"986269"	257.01181	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-H2O-H"	-19.01839
"73420"	183.012857333333	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M-3H"	-3.021828
"514076"	275.022924	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M-3H"	-3.021828
"890785"	91.0027906666667	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-3H"	-3.021828
"9357"	275.022924	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M-2H"	-2.014552
"444544"	413.038024	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M-2H"	-2.014552
"820159"	137.007824	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-2H"	-2.014552
"81609"	551.053124	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M-H"	-1.007276
"521533"	827.083324	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M-H"	-1.007276
"908337"	275.022924	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-H"	-1.007276
"59554"	568.079671	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M-2H+NH4"	16.019271
"499842"	844.109871	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M-2H+NH4"	16.019271
"875819"	292.049471	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-2H+NH4"	16.019271
"44814"	573.035066	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M-2H+Na"	20.974666
"481095"	849.065266	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M-2H+Na"	20.974666
"850878"	297.004866	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-2H+Na"	20.974666
"1620777"	297.004866	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Na-2H"	20.974666
"96212"	293.011263	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M-H+Cl"	33.962126
"537959"	431.026363	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M-H+Cl"	33.962126
"927257"	154.996163	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-H+Cl"	33.962126
"277690"	587.029802	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+Cl"	34.969402
"673395"	863.060002	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+Cl"	34.969402
"1281426"	310.999602	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Cl"	34.969402
"22886"	589.009006	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M-2H+K"	36.948606
"462445"	865.039206	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M-2H+K"	36.948606
"843530"	312.978806	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-2H+K"	36.948606
"1556810"	312.978806	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+K-2H"	36.948606
"946153"	321.028394	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-H+HCOOH"	44.998194
"367649"	597.058601	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+HCOOH-H"	44.998201
"350805"	611.074251	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+Hac-H"	59.013851
"1497815"	335.044051	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Hac-H"	59.013851
"966818"	343.010351	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-H+NaCOOH"	66.980151
"114269"	310.999602	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+2Cl"	69.938804
"553465"	449.014702	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+2Cl"	69.938804
"1026639"	172.984502	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2Cl"	69.938804
"1249497"	354.949085	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Br"	78.918885
"1310488"	357.005072	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Cl+HCOOH"	80.974872
"1321421"	378.987029	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Cl+NaCOOH"	102.956829
"917219"	389.015786	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M-H+CF3COOH"	112.985586
"1291740"	424.992464	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Cl+CF3COOH"	148.962264
"1376099"	241.017524	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H-2H2O"	-35.012676
"1390317"	259.0275	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H-H2O"	-17.0027
"290003"	553.067676	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+H"	1.007276
"682422"	829.097876	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+H"	1.007276
"1355491"	277.037476	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H"	1.007276
"131660"	277.037476	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+2H"	2.014552
"571223"	415.052576	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+2H"	2.014552
"1046584"	139.022376	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2H"	2.014552
"217767"	185.027409333333	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+3H"	3.021828
"655142"	277.037476	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+3H"	3.021828
"1174362"	93.0173426666667	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+3H"	3.021828
"437632"	570.094223	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+NH4"	18.033823
"792067"	846.124423	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+NH4"	18.033823
"1686211"	294.064023	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+NH4"	18.033823
"335583"	285.5507495	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+H+NH4"	19.041099
"730194"	423.5658495	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+H+NH4"	19.041099
"1485106"	147.5356495	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H+NH4"	19.041099
"402694"	575.049618	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+Na"	22.989218
"760407"	851.079818	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+Na"	22.989218
"1610694"	299.019418	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Na"	22.989218
"324013"	288.028447	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+H+Na"	23.996494
"718256"	426.043547	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+H+Na"	23.996494
"1471343"	150.013347	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H+Na"	23.996494
"1064226"	100.344656666667	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2H+Na"	25.00377
"1269184"	309.063686	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+CH3OH+H"	33.033486
"388119"	591.023558	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+K"	38.963158
"744739"	867.053758	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+K"	38.963158
"1543513"	314.993358	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+K"	38.963158
"313093"	296.015417	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+H+K"	39.970434
"705880"	434.030517	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+H+K"	39.970434
"1456784"	158.000317	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H+K"	39.970434
"247209"	594.094226	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+ACN+H"	42.033826
"1219188"	318.064026	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+ACN+H"	42.033826
"1205258"	159.535651	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+ACN+2H"	43.041102
"199588"	597.03156	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+2Na-H"	44.97116
"638784"	873.06176	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+2Na-H"	44.97116
"1143386"	321.00136	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2Na-H"	44.97116
"180116"	299.019418	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+2Na"	45.978436
"623686"	437.034518	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+2Na"	45.978436
"1127927"	161.004318	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2Na"	45.978436
"1411453"	107.671970666667	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H+2Na"	46.985712
"1444297"	323.042946	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H+HCOOH"	47.012746
"232901"	304.05244	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+3H2O+2H"	56.04448
"1521691"	337.09499	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+IsoProp+H"	61.06479
"419556"	307.006388	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+Na+K"	61.952376
"784563"	445.021488	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+Na+K"	61.952376
"1678709"	168.991288	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Na+K"	61.952376
"265956"	616.076168	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+ACN+Na"	64.015768
"1238302"	340.045968	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+ACN+Na"	64.015768
"1726094"	340.069493	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+NH4+HCOOH"	64.039293
"1191448"	114.999284666667	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+3Na"	68.967654
"1659156"	345.024888	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Na+HCOOH"	68.994688
"161277"	628.97944	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+2K-H"	76.91904
"602659"	905.00964	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+2K-H"	76.91904
"1091544"	352.94924	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2K-H"	76.91904
"149089"	314.993358	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"2M+2K"	77.926316
"590838"	453.008458	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"3M+2K"	77.926316
"1072069"	176.978258	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2K"	77.926316
"1111839"	354.963792	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2K+H"	78.933592
"1348225"	355.051407	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+DMSO+H"	79.021207
"1019673"	359.090576	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2ACN+H"	83.060376
"1533785"	360.084208	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+IsoProp+Na+H"	84.054008
"999138"	180.048926	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+2ACN+2H"	84.067652
"1591459"	360.998828	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+K+HCOOH"	84.968628
"1417119"	391.030338	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+H+CF3COOH"	115.000138
"1151777"	200.562201	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+3ACN+2H"	125.094202
"1701336"	408.056885	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+NH4+CF3COOH"	132.026685
"1639173"	413.01228	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+Na+CF3COOH"	136.98208
"1577010"	428.98622	"C15627"	"GW 9662;2-Chloro-5-nitrobenzanilide"	"C13H9ClN2O3"	"276.0302"	"M+K+CF3COOH"	152.95602
"807379"	504.2406	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M"	0
"986379"	485.22221	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-H2O-H"	-19.01839
"78452"	335.153124	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M-3H"	-3.021828
"515282"	503.233324	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M-3H"	-3.021828
"892356"	167.072924	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-3H"	-3.021828
"9469"	503.233324	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M-2H"	-2.014552
"446842"	755.353624	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M-2H"	-2.014552
"826830"	251.113024	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-2H"	-2.014552
"83545"	1007.473924	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M-H"	-1.007276
"524194"	1511.714524	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M-H"	-1.007276
"900906"	503.233324	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-H"	-1.007276
"52366"	1024.500471	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M-2H+NH4"	16.019271
"497039"	1528.741071	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M-2H+NH4"	16.019271
"877756"	520.259871	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-2H+NH4"	16.019271
"46507"	1029.455866	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M-2H+Na"	20.974666
"483392"	1533.696466	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M-2H+Na"	20.974666
"855728"	525.215266	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-2H+Na"	20.974666
"1623074"	525.215266	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Na-2H"	20.974666
"105070"	521.221663	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M-H+Cl"	33.962126
"542445"	773.341963	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M-H+Cl"	33.962126
"931584"	269.101363	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-H+Cl"	33.962126
"274521"	1043.450602	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+Cl"	34.969402
"673142"	1547.691202	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+Cl"	34.969402
"1283724"	539.210002	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Cl"	34.969402
"24091"	1045.429806	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M-2H+K"	36.948606
"463651"	1549.670406	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M-2H+K"	36.948606
"843641"	541.189206	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-2H+K"	36.948606
"1562753"	541.189206	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+K-2H"	36.948606
"950637"	549.238794	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-H+HCOOH"	44.998194
"371039"	1053.479401	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+HCOOH-H"	44.998201
"357111"	1067.495051	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+Hac-H"	59.013851
"1498658"	563.254451	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Hac-H"	59.013851
"964377"	571.220751	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-H+NaCOOH"	66.980151
"114380"	539.210002	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+2Cl"	69.938804
"554304"	791.330302	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+2Cl"	69.938804
"1023467"	287.089702	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2Cl"	69.938804
"1248878"	583.159485	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Br"	78.918885
"1308410"	585.215472	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Cl+HCOOH"	80.974872
"1329186"	607.197429	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Cl+NaCOOH"	102.956829
"919151"	617.226186	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M-H+CF3COOH"	112.985586
"1292944"	653.202864	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Cl+CF3COOH"	148.962264
"1375117"	469.227924	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H-2H2O"	-35.012676
"1390426"	487.2379	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H-H2O"	-17.0027
"290111"	1009.488476	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+H"	1.007276
"685814"	1513.729076	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+H"	1.007276
"1359977"	505.247876	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H"	1.007276
"135054"	505.247876	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+2H"	2.014552
"575710"	757.368176	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+2H"	2.014552
"1049613"	253.127576	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2H"	2.014552
"216058"	337.167676	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+3H"	3.021828
"656346"	505.247876	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+3H"	3.021828
"1174473"	169.087476	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+3H"	3.021828
"428996"	1026.515023	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+NH4"	18.033823
"793271"	1530.755623	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+NH4"	18.033823
"1691789"	522.274423	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+NH4"	18.033823
"341892"	513.7611495	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+H+NH4"	19.041099
"732492"	765.8814495	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+H+NH4"	19.041099
"1487404"	261.6408495	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H+NH4"	19.041099
"402804"	1031.470418	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+Na"	22.989218
"764890"	1535.711018	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+Na"	22.989218
"1614814"	527.229818	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Na"	22.989218
"327405"	516.238847	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+H+Na"	23.996494
"721646"	768.359147	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+H+Na"	23.996494
"1473278"	264.118547	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H+Na"	23.996494
"1065429"	176.41479	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2H+Na"	25.00377
"1270751"	537.274086	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+CH3OH+H"	33.033486
"388229"	1047.444358	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+K"	38.963158
"748129"	1551.684958	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+K"	38.963158
"1543623"	543.203758	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+K"	38.963158
"312112"	524.225817	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+H+K"	39.970434
"706885"	776.346117	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+H+K"	39.970434
"1460176"	272.105517	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H+K"	39.970434
"244403"	1050.515026	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+ACN+H"	42.033826
"1219298"	546.274426	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+ACN+H"	42.033826
"1202088"	273.640851	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+ACN+2H"	43.041102
"198970"	1053.45236	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+2Na-H"	44.97116
"637802"	1557.69296	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+2Na-H"	44.97116
"1143496"	549.21176	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2Na-H"	44.97116
"175850"	527.229818	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+2Na"	45.978436
"623069"	779.350118	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+2Na"	45.978436
"1124027"	275.109518	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2Na"	45.978436
"1408279"	183.742104	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H+2Na"	46.985712
"1440761"	551.253346	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H+HCOOH"	47.012746
"231550"	532.26284	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+3H2O+2H"	56.04448
"1520707"	565.30539	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+IsoProp+H"	61.06479
"418573"	535.216788	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+Na+K"	61.952376
"780666"	787.337088	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+Na+K"	61.952376
"1672624"	283.096488	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Na+K"	61.952376
"259143"	1072.496968	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+ACN+Na"	64.015768
"1232947"	568.256368	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+ACN+Na"	64.015768
"1721832"	568.279893	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+NH4+HCOOH"	64.039293
"1188280"	191.069418	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+3Na"	68.967654
"1654163"	573.235288	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Na+HCOOH"	68.994688
"168315"	1085.40024	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+2K-H"	76.91904
"604226"	1589.64084	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+2K-H"	76.91904
"1095666"	581.15964	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2K-H"	76.91904
"156130"	543.203758	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"2M+2K"	77.926316
"589855"	795.324058	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"3M+2K"	77.926316
"1071449"	291.083458	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2K"	77.926316
"1107574"	583.174192	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2K+H"	78.933592
"1347241"	583.261807	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+DMSO+H"	79.021207
"1019053"	587.300976	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2ACN+H"	83.060376
"1528427"	588.294608	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+IsoProp+Na+H"	84.054008
"1002529"	294.154126	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+2ACN+2H"	84.067652
"1590476"	589.209228	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+K+HCOOH"	84.968628
"1416136"	619.240738	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+H+CF3COOH"	115.000138
"1149336"	314.667401	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+3ACN+2H"	125.094202
"1703632"	636.267285	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+NH4+CF3COOH"	132.026685
"1639283"	641.22268	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+Na+CF3COOH"	136.98208
"1577120"	657.19662	"C15628"	"SR 12813;GW 485801"	"C24H42O7P2"	"504.2406"	"M+K+CF3COOH"	152.95602
"804209"	244.0453	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M"	0
"978834"	225.02691	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-H2O-H"	-19.01839
"76920"	161.689590666667	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M-3H"	-3.021828
"518306"	243.038024	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M-3H"	-3.021828
"895013"	80.3411573333333	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-3H"	-3.021828
"6299"	243.038024	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M-2H"	-2.014552
"444765"	365.060674	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M-2H"	-2.014552
"821473"	121.015374	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-2H"	-2.014552
"83655"	487.083324	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M-H"	-1.007276
"521389"	731.128624	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M-H"	-1.007276
"899557"	243.038024	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-H"	-1.007276
"49191"	504.109871	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M-2H+NH4"	16.019271
"502009"	748.155171	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M-2H+NH4"	16.019271
"879410"	260.064571	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-2H+NH4"	16.019271
"46817"	509.065266	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M-2H+Na"	20.974666
"484595"	753.110566	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M-2H+Na"	20.974666
"862400"	265.019966	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-2H+Na"	20.974666
"1626464"	265.019966	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Na-2H"	20.974666
"105180"	261.026363	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M-H+Cl"	33.962126
"546929"	383.049013	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M-H+Cl"	33.962126
"936069"	139.003713	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-H+Cl"	33.962126
"278639"	523.060002	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+Cl"	34.969402
"672887"	767.105302	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+Cl"	34.969402
"1284928"	279.014702	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Cl"	34.969402
"28209"	525.039206	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M-2H+K"	36.948606
"468133"	769.084506	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M-2H+K"	36.948606
"844480"	280.993906	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-2H+K"	36.948606
"1566146"	280.993906	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+K-2H"	36.948606
"952934"	289.043494	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-H+HCOOH"	44.998194
"370058"	533.088801	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+HCOOH-H"	44.998201
"356127"	547.104451	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+Hac-H"	59.013851
"1501683"	303.059151	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Hac-H"	59.013851
"965215"	311.025451	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-H+NaCOOH"	66.980151
"115946"	279.014702	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+2Cl"	69.938804
"554049"	401.037352	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+2Cl"	69.938804
"1025401"	156.992052	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2Cl"	69.938804
"1247166"	322.964185	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Br"	78.918885
"1306697"	325.020172	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Cl+HCOOH"	80.974872
"1326380"	347.002129	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Cl+NaCOOH"	102.956829
"917076"	357.030886	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M-H+CF3COOH"	112.985586
"1290867"	393.007564	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Cl+CF3COOH"	148.962264
"1371947"	209.032624	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H-2H2O"	-35.012676
"1386162"	227.0426	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H-H2O"	-17.0027
"285118"	489.097876	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+H"	1.007276
"681548"	733.143176	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+H"	1.007276
"1357899"	245.052576	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H"	1.007276
"132975"	245.052576	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+2H"	2.014552
"571444"	367.075226	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+2H"	2.014552
"1043528"	123.029926	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2H"	2.014552
"213615"	163.704142666667	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+3H"	3.021828
"645522"	245.052576	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+3H"	3.021828
"1171301"	82.3557093333333	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+3H"	3.021828
"426918"	506.124423	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+NH4"	18.033823
"792288"	750.169723	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+NH4"	18.033823
"1688621"	262.079123	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+NH4"	18.033823
"334712"	253.5658495	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+H+NH4"	19.041099
"729320"	375.5884995	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+H+NH4"	19.041099
"1485326"	131.5431995	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H+NH4"	19.041099
"401822"	511.079818	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+Na"	22.989218
"762814"	755.125118	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+Na"	22.989218
"1613101"	267.034518	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Na"	22.989218
"326420"	256.043547	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+H+Na"	23.996494
"721027"	378.066197	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+H+Na"	23.996494
"1471565"	134.020897	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H+Na"	23.996494
"1064446"	89.6830233333333	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2H+Na"	25.00377
"1269403"	277.078786	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+CH3OH+H"	33.033486
"390526"	527.053758	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+K"	38.963158
"751519"	771.099058	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+K"	38.963158
"1541909"	283.008458	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+K"	38.963158
"312221"	264.030517	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+H+K"	39.970434
"703914"	386.053167	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+H+K"	39.970434
"1458828"	142.007867	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H+K"	39.970434
"240502"	530.124426	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+ACN+H"	42.033826
"1218315"	286.079126	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+ACN+H"	42.033826
"1200375"	143.543201	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+ACN+2H"	43.041102
"193611"	533.06176	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+2Na-H"	44.97116
"640829"	777.10706	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+2Na-H"	44.97116
"1142880"	289.01646	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2Na-H"	44.97116
"177784"	267.034518	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+2Na"	45.978436
"622084"	389.057168	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+2Na"	45.978436
"1122314"	145.011868	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2Na"	45.978436
"1409116"	97.0103373333333	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H+2Na"	46.985712
"1440141"	291.058046	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H+HCOOH"	47.012746
"231660"	272.06754	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+3H2O+2H"	56.04448
"1520452"	305.11009	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+IsoProp+H"	61.06479
"420867"	275.021488	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+Na+K"	61.952376
"777492"	397.044138	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+Na+K"	61.952376
"1672731"	152.998838	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Na+K"	61.952376
"260343"	552.106368	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+ACN+Na"	64.015768
"1231597"	308.061068	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+ACN+Na"	64.015768
"1721578"	308.084593	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+NH4+HCOOH"	64.039293
"1185110"	104.337651333333	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+3Na"	68.967654
"1656095"	313.039988	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Na+HCOOH"	68.994688
"165145"	565.00964	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+2K-H"	76.91904
"602878"	809.05494	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+2K-H"	76.91904
"1093589"	320.96434	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2K-H"	76.91904
"149312"	283.008458	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"2M+2K"	77.926316
"588871"	405.031108	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"3M+2K"	77.926316
"1070100"	160.985808	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2K"	77.926316
"1102580"	322.978892	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2K+H"	78.933592
"1344071"	323.066507	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+DMSO+H"	79.021207
"1012602"	327.105676	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2ACN+H"	83.060376
"1526349"	328.099308	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+IsoProp+Na+H"	84.054008
"999359"	164.056476	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+2ACN+2H"	84.067652
"1589488"	329.013928	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+K+HCOOH"	84.968628
"1416610"	359.045438	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+H+CF3COOH"	115.000138
"1147337"	184.569751	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+3ACN+2H"	125.094202
"1700461"	376.071985	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+NH4+CF3COOH"	132.026685
"1637206"	381.02738	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+Na+CF3COOH"	136.98208
"1573950"	397.00132	"C15629"	"CGP 52608"	"C8H12N4OS2"	"244.0453"	"M+K+CF3COOH"	152.95602
"804319"	481.0394	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M"	0
"978943"	462.02101	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-H2O-H"	-19.01839
"76909"	319.685657333333	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M-3H"	-3.021828
"514405"	480.032124	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M-3H"	-3.021828
"894881"	159.339190666667	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-3H"	-3.021828
"6409"	480.032124	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M-2H"	-2.014552
"443782"	720.551824	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M-2H"	-2.014552
"821583"	239.512424	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-2H"	-2.014552
"83765"	961.071524	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M-H"	-1.007276
"519433"	1442.110924	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M-H"	-1.007276
"896752"	480.032124	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-H"	-1.007276
"52222"	978.098071	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M-2H+NH4"	16.019271
"501268"	1459.137471	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M-2H+NH4"	16.019271
"877242"	497.058671	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-2H+NH4"	16.019271
"46845"	983.053466	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M-2H+Na"	20.974666
"481425"	1464.092866	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M-2H+Na"	20.974666
"863848"	502.014066	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-2H+Na"	20.974666
"1633861"	502.014066	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Na-2H"	20.974666
"105290"	498.020463	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M-H+Cl"	33.962126
"548133"	738.540163	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M-H+Cl"	33.962126
"936179"	257.500763	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-H+Cl"	33.962126
"279480"	997.048202	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+Cl"	34.969402
"672268"	1478.087602	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+Cl"	34.969402
"1283580"	516.008802	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Cl"	34.969402
"26496"	999.027406	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M-2H+K"	36.948606
"468242"	1480.066806	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M-2H+K"	36.948606
"846047"	517.988006	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-2H+K"	36.948606
"1565162"	517.988006	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+K-2H"	36.948606
"951951"	526.037594	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-H+HCOOH"	44.998194
"372354"	1007.077001	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+HCOOH-H"	44.998201
"357330"	1021.092651	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+Hac-H"	59.013851
"1500700"	540.053251	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Hac-H"	59.013851
"965326"	548.019551	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-H+NaCOOH"	66.980151
"113870"	516.008802	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+2Cl"	69.938804
"556711"	756.528502	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+2Cl"	69.938804
"1022959"	275.489102	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2Cl"	69.938804
"1246182"	559.958285	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Br"	78.918885
"1307902"	562.014272	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Cl+HCOOH"	80.974872
"1325397"	583.996229	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Cl+NaCOOH"	102.956829
"915364"	594.024986	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M-H+CF3COOH"	112.985586
"1291343"	630.001664	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Cl+CF3COOH"	148.962264
"1367358"	446.026724	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H-2H2O"	-35.012676
"1386272"	464.0367	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H-H2O"	-17.0027
"292518"	963.086076	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+H"	1.007276
"681660"	1444.125476	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+H"	1.007276
"1359106"	482.046676	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H"	1.007276
"134180"	482.046676	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+2H"	2.014552
"573741"	722.566376	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+2H"	2.014552
"1045824"	241.526976	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2H"	2.014552
"213725"	321.700209333333	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+3H"	3.021828
"650006"	482.046676	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+3H"	3.021828
"1172504"	161.353742666667	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+3H"	3.021828
"434684"	980.112623	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+NH4"	18.033823
"793491"	1461.152023	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+NH4"	18.033823
"1688729"	499.073223	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+NH4"	18.033823
"337008"	490.5599495	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+H+NH4"	19.041099
"730523"	731.0796495	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+H+NH4"	19.041099
"1485438"	250.0402495	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H+NH4"	19.041099
"399743"	985.068018	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+Na"	22.989218
"765111"	1466.107418	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+Na"	22.989218
"1613211"	504.028618	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Na"	22.989218
"324341"	493.037647	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+H+Na"	23.996494
"720042"	733.557347	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+H+Na"	23.996494
"1474225"	252.517947	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H+Na"	23.996494
"1064555"	168.681056666667	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2H+Na"	25.00377
"1266598"	514.072886	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+CH3OH+H"	33.033486
"388817"	1001.041958	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+K"	38.963158
"747259"	1482.081358	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+K"	38.963158
"1541291"	520.002558	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+K"	38.963158
"313060"	501.024617	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+H+K"	39.970434
"704024"	741.544317	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+H+K"	39.970434
"1458938"	260.504917	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H+K"	39.970434
"245714"	1004.112626	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+ACN+H"	42.033826
"1218427"	523.073226	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+ACN+H"	42.033826
"1202313"	262.040251	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+ACN+2H"	43.041102
"199923"	1007.04996	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+2Na-H"	44.97116
"640943"	1488.08936	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+2Na-H"	44.97116
"1142261"	526.01056	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2Na-H"	44.97116
"184825"	504.028618	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+2Na"	45.978436
"626574"	744.548318	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+2Na"	45.978436
"1126434"	263.508918	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2Na"	45.978436
"1409593"	176.008370666667	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H+2Na"	46.985712
"1439523"	528.052146	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H+HCOOH"	47.012746
"231406"	509.06164	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+3H2O+2H"	56.04448
"1520562"	542.10419	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+IsoProp+H"	61.06479
"421342"	512.015588	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+Na+K"	61.952376
"777600"	752.535288	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+Na+K"	61.952376
"1673934"	271.495888	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Na+K"	61.952376
"263006"	1026.094568	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+ACN+Na"	64.015768
"1230979"	545.055168	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+ACN+Na"	64.015768
"1721688"	545.078693	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+NH4+HCOOH"	64.039293
"1185219"	183.335684666667	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+3Na"	68.967654
"1657300"	550.034088	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Na+HCOOH"	68.994688
"162337"	1038.99784	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+2K-H"	76.91904
"602989"	1520.03724	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+2K-H"	76.91904
"1089690"	557.95844	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2K-H"	76.91904
"148330"	520.002558	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"2M+2K"	77.926316
"587889"	760.522258	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"3M+2K"	77.926316
"1069114"	279.482858	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2K"	77.926316
"1100867"	559.972992	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2K+H"	78.933592
"1340899"	560.060607	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+DMSO+H"	79.021207
"1008703"	564.099776	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2ACN+H"	83.060376
"1529741"	565.093408	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+IsoProp+Na+H"	84.054008
"998377"	282.553526	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+2ACN+2H"	84.067652
"1591785"	566.008028	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+K+HCOOH"	84.968628
"1415260"	596.039538	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+H+CF3COOH"	115.000138
"1147734"	303.066801	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+3ACN+2H"	125.094202
"1700569"	613.066085	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+NH4+CF3COOH"	132.026685
"1637316"	618.02148	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+Na+CF3COOH"	136.98208
"1572964"	633.99542	"C15630"	"T 0901317;T0901317"	"C17H12F9NO3S"	"481.0394"	"M+K+CF3COOH"	152.95602
"813177"	581.1945	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M"	0
"984522"	562.17611	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-H2O-H"	-19.01839
"77140"	386.455724	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M-3H"	-3.021828
"514515"	580.187224	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M-3H"	-3.021828
"893411"	192.724224	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-3H"	-3.021828
"11986"	580.187224	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M-2H"	-2.014552
"449359"	870.784474	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M-2H"	-2.014552
"822786"	289.589974	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-2H"	-2.014552
"79622"	1161.381724	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M-H"	-1.007276
"520149"	1742.576224	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M-H"	-1.007276
"896132"	580.187224	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-H"	-1.007276
"49416"	1178.408271	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M-2H+NH4"	16.019271
"488606"	1759.602771	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M-2H+NH4"	16.019271
"866414"	597.213771	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-2H+NH4"	16.019271
"40878"	1183.363666	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M-2H+Na"	20.974666
"482625"	1764.558166	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M-2H+Na"	20.974666
"857147"	602.169166	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-2H+Na"	20.974666
"1626681"	602.169166	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Na-2H"	20.974666
"105400"	598.175563	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M-H+Cl"	33.962126
"548245"	888.772813	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M-H+Cl"	33.962126
"936289"	307.578313	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-H+Cl"	33.962126
"277038"	1197.358402	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+Cl"	34.969402
"670554"	1778.552902	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+Cl"	34.969402
"1281867"	616.163902	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Cl"	34.969402
"26606"	1199.337606	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M-2H+K"	36.948606
"467259"	1780.532106	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M-2H+K"	36.948606
"842877"	618.143106	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-2H+K"	36.948606
"1565272"	618.143106	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+K-2H"	36.948606
"952061"	626.192694	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-H+HCOOH"	44.998194
"369184"	1207.387201	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+HCOOH-H"	44.998201
"357440"	1221.402851	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+Hac-H"	59.013851
"1502995"	640.208351	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Hac-H"	59.013851
"966165"	648.174651	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-H+NaCOOH"	66.980151
"114345"	616.163902	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+2Cl"	69.938804
"557916"	906.761152	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+2Cl"	69.938804
"1025986"	325.566652	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2Cl"	69.938804
"1245929"	660.113385	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Br"	78.918885
"1307648"	662.169372	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Cl+HCOOH"	80.974872
"1323685"	684.151329	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Cl+NaCOOH"	102.956829
"918390"	694.180086	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M-H+CF3COOH"	112.985586
"1294006"	730.156764	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Cl+CF3COOH"	148.962264
"1367792"	546.181824	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H-2H2O"	-35.012676
"1386383"	564.1918	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H-H2O"	-17.0027
"292628"	1163.396276	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+H"	1.007276
"681770"	1744.590776	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+H"	1.007276
"1357030"	582.201776	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H"	1.007276
"132834"	582.201776	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+2H"	2.014552
"573852"	872.799026	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+2H"	2.014552
"1045570"	291.604526	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2H"	2.014552
"214928"	388.470276	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+3H"	3.021828
"644891"	582.201776	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+3H"	3.021828
"1167148"	194.738776	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+3H"	3.021828
"427139"	1180.422823	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+NH4"	18.033823
"787041"	1761.617323	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+NH4"	18.033823
"1687746"	599.228323	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+NH4"	18.033823
"333838"	590.7150495	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+H+NH4"	19.041099
"728448"	881.3122995	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+H+NH4"	19.041099
"1484452"	300.1177995	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H+NH4"	19.041099
"399853"	1185.378218	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+Na"	22.989218
"763034"	1766.572718	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+Na"	22.989218
"1611131"	604.183718	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Na"	22.989218
"325540"	593.192747	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+H+Na"	23.996494
"717962"	883.789997	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+H+Na"	23.996494
"1473969"	302.595497	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H+Na"	23.996494
"1063933"	202.06609	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2H+Na"	25.00377
"1266706"	614.227986	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+CH3OH+H"	33.033486
"387466"	1201.352158	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+K"	38.963158
"745179"	1782.546658	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+K"	38.963158
"1541396"	620.157658	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+K"	38.963158
"310618"	601.179717	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+H+K"	39.970434
"699032"	891.776967	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+H+K"	39.970434
"1455038"	310.582467	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H+K"	39.970434
"247284"	1204.422826	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+ACN+H"	42.033826
"1216347"	623.228326	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+ACN+H"	42.033826
"1203516"	312.117801	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+ACN+2H"	43.041102
"197481"	1207.36016	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+2Na-H"	44.97116
"638135"	1788.55466	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+2Na-H"	44.97116
"1143100"	626.16566	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2Na-H"	44.97116
"186881"	604.183718	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+2Na"	45.978436
"625591"	894.780968	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+2Na"	45.978436
"1128367"	313.586468	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2Na"	45.978436
"1408976"	209.393404	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H+2Na"	46.985712
"1442185"	628.207246	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H+HCOOH"	47.012746
"233340"	609.21674	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+3H2O+2H"	56.04448
"1518121"	642.25929	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+IsoProp+H"	61.06479
"418903"	612.170688	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+Na+K"	61.952376
"777711"	902.767938	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+Na+K"	61.952376
"1674044"	321.573438	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Na+K"	61.952376
"263480"	1226.404768	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+ACN+Na"	64.015768
"1235460"	645.210268	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+ACN+Na"	64.015768
"1722162"	645.233793	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+NH4+HCOOH"	64.039293
"1187516"	216.720718	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+3Na"	68.967654
"1659596"	650.189188	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Na+HCOOH"	68.994688
"162084"	1239.30804	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+2K-H"	76.91904
"602738"	1820.50254	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+2K-H"	76.91904
"1092717"	658.11354	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2K-H"	76.91904
"146251"	620.157658	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"2M+2K"	77.926316
"588000"	910.754908	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"3M+2K"	77.926316
"1072509"	329.560408	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2K"	77.926316
"1103534"	660.128092	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2K+H"	78.933592
"1338825"	660.215707	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+DMSO+H"	79.021207
"1007354"	664.254876	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2ACN+H"	83.060376
"1530945"	665.248508	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+IsoProp+Na+H"	84.054008
"998487"	332.631076	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+2ACN+2H"	84.067652
"1587888"	666.163128	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+K+HCOOH"	84.968628
"1418650"	696.194638	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+H+CF3COOH"	115.000138
"1148209"	353.144351	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+3ACN+2H"	125.094202
"1702866"	713.221185	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+NH4+CF3COOH"	132.026685
"1636331"	718.17658	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+Na+CF3COOH"	136.98208
"1573439"	734.15052	"C15631"	"GW 3965"	"C33H31ClF3NO3"	"581.1945"	"M+K+CF3COOH"	152.95602
"814380"	400.3341	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M"	0
"984632"	381.31571	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-H2O-H"	-19.01839
"78457"	265.882124	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M-3H"	-3.021828
"514625"	399.326824	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M-3H"	-3.021828
"895342"	132.437424	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-3H"	-3.021828
"6630"	399.326824	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M-2H"	-2.014552
"449470"	599.493874	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M-2H"	-2.014552
"827271"	199.159774	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-2H"	-2.014552
"82886"	799.660924	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M-H"	-1.007276
"520624"	1199.995024	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M-H"	-1.007276
"898424"	399.326824	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-H"	-1.007276
"49520"	816.687471	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M-2H+NH4"	16.019271
"489809"	1217.021571	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M-2H+NH4"	16.019271
"868712"	416.353371	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-2H+NH4"	16.019271
"37706"	821.642866	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M-2H+Na"	20.974666
"482735"	1221.976966	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M-2H+Na"	20.974666
"853975"	421.308766	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-2H+Na"	20.974666
"1620228"	421.308766	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Na-2H"	20.974666
"105510"	417.315163	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M-H+Cl"	33.962126
"546537"	617.482213	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M-H+Cl"	33.962126
"937492"	217.148113	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-H+Cl"	33.962126
"277879"	835.637602	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+Cl"	34.969402
"672124"	1235.971702	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+Cl"	34.969402
"1281249"	435.303502	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Cl"	34.969402
"25623"	837.616806	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M-2H+K"	36.948606
"462997"	1237.950906	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M-2H+K"	36.948606
"842987"	437.282706	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-2H+K"	36.948606
"1567569"	437.282706	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+K-2H"	36.948606
"953264"	445.332294	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-H+HCOOH"	44.998194
"370387"	845.666401	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+HCOOH-H"	44.998201
"355364"	859.682051	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+Hac-H"	59.013851
"1503106"	459.347951	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Hac-H"	59.013851
"965184"	467.314251	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-H+NaCOOH"	66.980151
"111903"	435.303502	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+2Cl"	69.938804
"554744"	635.470552	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+2Cl"	69.938804
"1025366"	235.136452	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2Cl"	69.938804
"1246039"	479.252985	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Br"	78.918885
"1308853"	481.308972	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Cl+HCOOH"	80.974872
"1326348"	503.290929	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Cl+NaCOOH"	102.956829
"916678"	513.319686	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M-H+CF3COOH"	112.985586
"1294116"	549.296364	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Cl+CF3COOH"	148.962264
"1369361"	365.321424	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H-2H2O"	-35.012676
"1389773"	383.3314	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H-H2O"	-17.0027
"294925"	801.675476	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+H"	1.007276
"686254"	1202.009576	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+H"	1.007276
"1358964"	401.341376	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H"	1.007276
"132215"	401.341376	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+2H"	2.014552
"575055"	601.508426	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+2H"	2.014552
"1046773"	201.174326	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2H"	2.014552
"215767"	267.896676	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+3H"	3.021828
"645122"	401.341376	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+3H"	3.021828
"1165071"	134.451976	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+3H"	3.021828
"428342"	818.702023	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+NH4"	18.033823
"790431"	1219.036123	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+NH4"	18.033823
"1686763"	418.367923	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+NH4"	18.033823
"337957"	409.8546495	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+H+NH4"	19.041099
"727464"	610.0216995	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+H+NH4"	19.041099
"1485655"	209.6875995	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H+NH4"	19.041099
"399963"	823.657418	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+Na"	22.989218
"762050"	1223.991518	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+Na"	22.989218
"1611242"	423.323318	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Na"	22.989218
"325650"	412.332347	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+H+Na"	23.996494
"718438"	612.499397	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+H+Na"	23.996494
"1474811"	212.165297	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H+Na"	23.996494
"1064043"	141.77929	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2H+Na"	25.00377
"1267181"	433.367586	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+CH3OH+H"	33.033486
"384296"	839.631358	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+K"	38.963158
"742009"	1239.965458	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+K"	38.963158
"1542235"	439.297258	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+K"	38.963158
"311093"	420.319317	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+H+K"	39.970434
"699141"	620.486367	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+H+K"	39.970434
"1454053"	220.152267	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H+K"	39.970434
"246664"	842.702026	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+ACN+H"	42.033826
"1213176"	442.367926	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+ACN+H"	42.033826
"1200342"	221.687601	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+ACN+2H"	43.041102
"191024"	845.63936	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+2Na-H"	44.97116
"632045"	1245.97346	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+2Na-H"	44.97116
"1138470"	445.30526	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2Na-H"	44.97116
"184685"	423.323318	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+2Na"	45.978436
"625334"	623.490368	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+2Na"	45.978436
"1128478"	223.156268	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2Na"	45.978436
"1409086"	149.106604	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H+2Na"	46.985712
"1441931"	447.346846	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H+HCOOH"	47.012746
"229074"	428.35634	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+3H2O+2H"	56.04448
"1517137"	461.39889	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+IsoProp+H"	61.06479
"419012"	431.310288	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+Na+K"	61.952376
"778915"	631.477338	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+Na+K"	61.952376
"1675247"	231.143238	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Na+K"	61.952376
"261768"	864.683968	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+ACN+Na"	64.015768
"1235570"	464.349868	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+ACN+Na"	64.015768
"1721178"	464.373393	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+NH4+HCOOH"	64.039293
"1187626"	156.433918	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+3Na"	68.967654
"1658612"	469.328788	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Na+HCOOH"	68.994688
"166566"	877.58724	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+2K-H"	76.91904
"597496"	1277.92134	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+2K-H"	76.91904
"1088815"	477.25314	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2K-H"	76.91904
"148548"	439.297258	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"2M+2K"	77.926316
"588108"	639.464308	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"3M+2K"	77.926316
"1070798"	239.130208	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2K"	77.926316
"1103644"	479.267692	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2K+H"	78.933592
"1340028"	479.355307	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+DMSO+H"	79.021207
"1007829"	483.394476	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2ACN+H"	83.060376
"1528869"	484.388108	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+IsoProp+Na+H"	84.054008
"998597"	242.200876	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+2ACN+2H"	84.067652
"1588728"	485.302728	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+K+HCOOH"	84.968628
"1416574"	515.334238	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+H+CF3COOH"	115.000138
"1147091"	262.714151	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+3ACN+2H"	125.094202
"1702976"	532.360785	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+NH4+CF3COOH"	132.026685
"1636441"	537.31618	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+Na+CF3COOH"	136.98208
"1573549"	553.29012	"C15632"	"24(S)25-Epoxycholesterol"	"C27H44O2"	"400.3341"	"M+K+CF3COOH"	152.95602
"816317"	416.329	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M"	0
"989850"	397.31061	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"74083"	276.545390666667	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"514736"	415.321724	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"894481"	137.769057333333	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"14273"	415.321724	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"446301"	623.486224	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"820821"	207.157224	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"81907"	831.650724	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"522561"	1247.979724	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"899631"	415.321724	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"49994"	848.677271	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"499770"	1265.006271	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"878911"	432.348271	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"42192"	853.632666	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"485767"	1269.961666	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"861377"	437.303666	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1632857"	437.303666	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"109428"	433.310063	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"544086"	641.474563	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"937235"	225.145563	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"278357"	867.627402	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"668957"	1283.956402	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1282819"	451.298402	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"23552"	869.606606	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"463112"	1285.935606	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"844191"	453.277606	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1565494"	453.277606	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"948275"	461.327194	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"369404"	877.656201	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"354381"	891.671851	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1503218"	475.342851	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"968572"	483.309151	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"116390"	451.298402	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"559229"	659.462902	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1029124"	243.133902	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1251619"	495.247885	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1310058"	497.303872	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1324271"	519.285829	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"915330"	529.314586	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1295320"	565.291264	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1374575"	381.316324	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1393164"	399.3263	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"291759"	833.665276	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"688189"	1249.994276	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1362353"	417.336276	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H"	1.007276
"135241"	417.336276	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"574073"	625.500776	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1047247"	209.171776	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"212961"	278.559942666667	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"654712"	417.336276	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1173930"	139.783609333333	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"429549"	850.691823	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"790542"	1267.020823	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1685780"	434.362823	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"335154"	425.8495495	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"729762"	634.0140495	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1482487"	217.6850495	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"400072"	855.647218	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"763258"	1271.976218	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1614636"	439.318218	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"326857"	428.327247	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"720736"	636.491747	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1473825"	220.162747	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1060876"	147.110923333333	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1266926"	449.362486	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"384406"	871.621158	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"741026"	1287.950158	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1541494"	455.292158	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+K"	38.963158
"313754"	436.314217	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"699251"	644.478717	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1454163"	228.149717	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"244951"	874.691826	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1215475"	458.362826	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1204828"	229.685051	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"197702"	877.62916	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"635074"	1293.95816	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1133472"	461.30016	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"175309"	439.318218	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"618150"	647.482718	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1119468"	231.153718	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1411383"	154.438237333333	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1442406"	463.341746	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"232468"	444.35124	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1521624"	477.39379	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"418030"	447.305188	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"781211"	655.469688	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1677912"	239.140688	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"264431"	896.673768	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1235684"	480.344768	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1723476"	480.368293	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1191015"	161.765551333333	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1662004"	485.323688	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"165583"	909.57704	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"604051"	1325.90604	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1088562"	493.24804	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"146472"	455.292158	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"584939"	663.456658	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1078200"	247.127658	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1109222"	495.262592	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1343420"	495.350207	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1008668"	499.389376	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1526794"	500.383008	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"995429"	250.198326	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1591026"	501.297628	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1418873"	531.329138	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1147823"	270.711601	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1705273"	548.355685	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1636550"	553.31108	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1572566"	569.28502	"C15633"	"56-24(S)25-Diepoxycholesterol;(24S25)-Epoxycholesterol alpha-epoxide"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"813507"	348.2089	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M"	0
"977197"	329.19051	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-H2O-H"	-19.01839
"76377"	231.131990666667	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M-3H"	-3.021828
"514846"	347.201624	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M-3H"	-3.021828
"892647"	115.062357333333	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-3H"	-3.021828
"10130"	347.201624	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M-2H"	-2.014552
"450782"	521.306074	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M-2H"	-2.014552
"828583"	173.097174	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-2H"	-2.014552
"90761"	695.410524	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M-H"	-1.007276
"522668"	1043.619424	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M-H"	-1.007276
"899377"	347.201624	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-H"	-1.007276
"50107"	712.437071	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M-2H+NH4"	16.019271
"490397"	1060.645971	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M-2H+NH4"	16.019271
"876588"	364.228171	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-2H+NH4"	16.019271
"46434"	717.392466	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M-2H+Na"	20.974666
"486604"	1065.601366	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M-2H+Na"	20.974666
"863075"	369.183566	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-2H+Na"	20.974666
"1634027"	369.183566	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Na-2H"	20.974666
"106819"	365.189963	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M-H+Cl"	33.962126
"544193"	539.294413	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M-H+Cl"	33.962126
"937709"	191.085513	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-H+Cl"	33.962126
"276280"	731.387202	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+Cl"	34.969402
"668338"	1079.596102	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+Cl"	34.969402
"1283658"	383.178302	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Cl"	34.969402
"24028"	733.366406	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M-2H+K"	36.948606
"464315"	1081.575306	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M-2H+K"	36.948606
"843939"	385.157506	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-2H+K"	36.948606
"1565604"	385.157506	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+K-2H"	36.948606
"950208"	393.207094	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-H+HCOOH"	44.998194
"369515"	741.416001	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+HCOOH-H"	44.998201
"356679"	755.431651	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+Hac-H"	59.013851
"1505151"	407.222751	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Hac-H"	59.013851
"969777"	415.189051	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-H+NaCOOH"	66.980151
"119416"	383.178302	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+2Cl"	69.938804
"560436"	557.282752	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+2Cl"	69.938804
"1033612"	209.073852	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2Cl"	69.938804
"1252096"	427.127785	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Br"	78.918885
"1309073"	429.183772	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Cl+HCOOH"	80.974872
"1324747"	451.165729	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Cl+NaCOOH"	102.956829
"919816"	461.194486	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M-H+CF3COOH"	112.985586
"1296525"	497.171164	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Cl+CF3COOH"	148.962264
"1370311"	313.196224	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H-2H2O"	-35.012676
"1393276"	331.2062	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H-H2O"	-17.0027
"291869"	697.425076	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+H"	1.007276
"687571"	1045.633976	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+H"	1.007276
"1363556"	349.216176	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H"	1.007276
"136811"	349.216176	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+2H"	2.014552
"577465"	523.320626	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+2H"	2.014552
"1047357"	175.111726	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2H"	2.014552
"211979"	233.146542666667	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+3H"	3.021828
"651542"	349.216176	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+3H"	3.021828
"1169668"	117.076909333333	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+3H"	3.021828
"424797"	714.451623	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+NH4"	18.033823
"788467"	1062.660523	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+NH4"	18.033823
"1685892"	366.242723	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+NH4"	18.033823
"334171"	357.7294495	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+H+NH4"	19.041099
"728779"	531.8338995	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+H+NH4"	19.041099
"1484784"	183.6249995	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H+NH4"	19.041099
"399089"	719.407018	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+Na"	22.989218
"765555"	1067.615918	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+Na"	22.989218
"1614747"	371.198118	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Na"	22.989218
"326968"	360.207147	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+H+Na"	23.996494
"719389"	534.311597	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+H+Na"	23.996494
"1473208"	186.102697	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H+Na"	23.996494
"1063173"	124.404223333333	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2H+Na"	25.00377
"1265944"	381.242386	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+CH3OH+H"	33.033486
"383423"	735.380958	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+K"	38.963158
"745508"	1083.589858	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+K"	38.963158
"1545372"	387.172058	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+K"	38.963158
"313376"	368.194117	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+H+K"	39.970434
"703734"	542.298567	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+H+K"	39.970434
"1449900"	194.089667	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H+K"	39.970434
"240688"	738.451626	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+ACN+H"	42.033826
"1214492"	390.242726	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+ACN+H"	42.033826
"1201657"	195.625001	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+ACN+2H"	43.041102
"196718"	741.38896	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+2Na-H"	44.97116
"635185"	1089.59786	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+2Na-H"	44.97116
"1138690"	393.18006	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2Na-H"	44.97116
"175419"	371.198118	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+2Na"	45.978436
"618260"	545.302568	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+2Na"	45.978436
"1118485"	197.093668	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2Na"	45.978436
"1409670"	131.731537333333	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H+2Na"	46.985712
"1442151"	395.221646	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H+HCOOH"	47.012746
"233066"	376.23114	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+3H2O+2H"	56.04448
"1519547"	409.27369	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+IsoProp+H"	61.06479
"420690"	379.185088	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+Na+K"	61.952376
"782050"	553.289538	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+Na+K"	61.952376
"1676560"	205.080638	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Na+K"	61.952376
"260897"	760.433568	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+ACN+Na"	64.015768
"1234700"	412.224668	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+ACN+Na"	64.015768
"1723584"	412.248193	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+NH4+HCOOH"	64.039293
"1181287"	139.058851333333	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+3Na"	68.967654
"1658834"	417.203588	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Na+HCOOH"	68.994688
"161320"	773.33684	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+2K-H"	76.91904
"597600"	1121.54574	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+2K-H"	76.91904
"1085028"	425.12794	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2K-H"	76.91904
"143668"	387.172058	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"2M+2K"	77.926316
"583958"	561.276508	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"3M+2K"	77.926316
"1071022"	213.067608	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2K"	77.926316
"1103865"	427.142492	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2K+H"	78.933592
"1339156"	427.230107	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+DMSO+H"	79.021207
"1008047"	431.269276	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2ACN+H"	83.060376
"1527998"	432.262908	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+IsoProp+Na+H"	84.054008
"991893"	216.138276	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+2ACN+2H"	84.067652
"1587974"	433.177528	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+K+HCOOH"	84.968628
"1418984"	463.209038	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+H+CF3COOH"	115.000138
"1150366"	236.651551	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+3ACN+2H"	125.094202
"1699918"	480.235585	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+NH4+CF3COOH"	132.026685
"1635567"	485.19098	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+Na+CF3COOH"	136.98208
"1575595"	501.16492	"C15634"	"Arotinoid acid;TTNPB;Ro 13-7410"	"C24H28O2"	"348.2089"	"M+K+CF3COOH"	152.95602
"813617"	541.0614	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M"	0
"978401"	522.04301	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-H2O-H"	-19.01839
"75397"	359.700324	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M-3H"	-3.021828
"513863"	540.054124	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M-3H"	-3.021828
"890571"	179.346524	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-3H"	-3.021828
"6960"	540.054124	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M-2H"	-2.014552
"450893"	810.584824	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M-2H"	-2.014552
"828694"	269.523424	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-2H"	-2.014552
"89778"	1081.115524	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M-H"	-1.007276
"523144"	1622.176924	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M-H"	-1.007276
"902770"	540.054124	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-H"	-1.007276
"49854"	1098.142071	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M-2H+NH4"	16.019271
"490872"	1639.203471	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M-2H+NH4"	16.019271
"874512"	557.080671	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-2H+NH4"	16.019271
"45693"	1103.097466	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M-2H+Na"	20.974666
"486348"	1644.158866	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M-2H+Na"	20.974666
"863061"	562.036066	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-2H+Na"	20.974666
"1632590"	562.036066	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Na-2H"	20.974666
"108023"	558.042463	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M-H+Cl"	33.962126
"547583"	828.573163	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M-H+Cl"	33.962126
"938914"	287.511763	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-H+Cl"	33.962126
"280394"	1117.092202	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+Cl"	34.969402
"670995"	1658.153602	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+Cl"	34.969402
"1281214"	576.030802	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Cl"	34.969402
"23767"	1119.071406	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M-2H+K"	36.948606
"463326"	1660.132806	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M-2H+K"	36.948606
"842226"	578.010006	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-2H+K"	36.948606
"1564621"	578.010006	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+K-2H"	36.948606
"953597"	586.059594	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-H+HCOOH"	44.998194
"367438"	1127.121001	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+HCOOH-H"	44.998201
"355696"	1141.136651	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+Hac-H"	59.013851
"1503073"	600.075251	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Hac-H"	59.013851
"968792"	608.041551	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-H+NaCOOH"	66.980151
"120255"	576.030802	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+2Cl"	69.938804
"557262"	846.561502	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+2Cl"	69.938804
"1031534"	305.500102	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2Cl"	69.938804
"1246737"	619.980285	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Br"	78.918885
"1308819"	622.036272	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Cl+HCOOH"	80.974872
"1325221"	644.018229	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Cl+NaCOOH"	102.956829
"919926"	654.046986	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M-H+CF3COOH"	112.985586
"1296635"	690.023664	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Cl+CF3COOH"	148.962264
"1375890"	506.048724	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H-2H2O"	-35.012676
"1389010"	524.0587	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H-H2O"	-17.0027
"290885"	1083.130076	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+H"	1.007276
"685495"	1624.191476	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+H"	1.007276
"1361479"	542.068676	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H"	1.007276
"134732"	542.068676	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+2H"	2.014552
"577575"	812.599376	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+2H"	2.014552
"1045280"	271.537976	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2H"	2.014552
"213182"	361.714876	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+3H"	3.021828
"651653"	542.068676	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+3H"	3.021828
"1168684"	181.361076	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+3H"	3.021828
"429770"	1100.156623	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+NH4"	18.033823
"786875"	1641.218023	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+NH4"	18.033823
"1686002"	559.095223	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+NH4"	18.033823
"335375"	550.5819495	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+H+NH4"	19.041099
"728889"	821.1126495	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+H+NH4"	19.041099
"1482708"	280.0512495	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H+NH4"	19.041099
"400293"	1105.112018	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+Na"	22.989218
"766759"	1646.173418	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+Na"	22.989218
"1616680"	564.050618	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Na"	22.989218
"329143"	553.059647	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+H+Na"	23.996494
"721685"	823.590347	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+H+Na"	23.996494
"1476234"	282.528947	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H+Na"	23.996494
"1065470"	188.68839	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2H+Na"	25.00377
"1268241"	574.094886	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+CH3OH+H"	33.033486
"384627"	1121.085958	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+K"	38.963158
"745619"	1662.147358	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+K"	38.963158
"1544024"	580.024558	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+K"	38.963158
"310328"	561.046617	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+H+K"	39.970434
"698377"	831.577317	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+H+K"	39.970434
"1447094"	290.515917	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H+K"	39.970434
"242984"	1124.156626	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+ACN+H"	42.033826
"1212415"	583.095226	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+ACN+H"	42.033826
"1197393"	292.051251	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+ACN+2H"	43.041102
"191723"	1127.09396	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+2Na-H"	44.97116
"635295"	1668.15536	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+2Na-H"	44.97116
"1138800"	586.03256	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2Na-H"	44.97116
"174678"	564.050618	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+2Na"	45.978436
"616181"	834.581318	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+2Na"	45.978436
"1121875"	293.519918	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2Na"	45.978436
"1407592"	196.015704	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H+2Na"	46.985712
"1440803"	588.074146	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H+HCOOH"	47.012746
"232689"	569.08364	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+3H2O+2H"	56.04448
"1519657"	602.12619	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+IsoProp+H"	61.06479
"421527"	572.037588	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+Na+K"	61.952376
"782522"	842.568288	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+Na+K"	61.952376
"1675577"	301.506888	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Na+K"	61.952376
"263192"	1146.138568	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+ACN+Na"	64.015768
"1236996"	605.077168	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+ACN+Na"	64.015768
"1725880"	605.100693	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+NH4+HCOOH"	64.039293
"1186866"	203.343018	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+3Na"	68.967654
"1661131"	610.056088	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Na+HCOOH"	68.994688
"164710"	1159.04184	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+2K-H"	76.91904
"598317"	1700.10324	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+2K-H"	76.91904
"1087693"	617.98044	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2K-H"	76.91904
"145600"	580.024558	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"2M+2K"	77.926316
"586258"	850.555258	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"3M+2K"	77.926316
"1070767"	309.493858	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2K"	77.926316
"1105069"	619.994992	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2K+H"	78.933592
"1340724"	620.082607	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+DMSO+H"	79.021207
"1008161"	624.121776	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2ACN+H"	83.060376
"1528108"	625.115408	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+IsoProp+Na+H"	84.054008
"993097"	312.564526	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+2ACN+2H"	84.067652
"1588692"	626.030028	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+K+HCOOH"	84.968628
"1419094"	656.061538	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+H+CF3COOH"	115.000138
"1148410"	333.077801	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+3ACN+2H"	125.094202
"1704403"	673.088085	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+NH4+CF3COOH"	132.026685
"1640053"	678.04348	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+Na+CF3COOH"	136.98208
"1584453"	694.01742	"C15635"	"GW 4064;GW-4064"	"C28H22Cl3NO4"	"541.0614"	"M+K+CF3COOH"	152.95602
"804980"	420.324	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M"	0
"988235"	401.30561	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-H2O-H"	-19.01839
"76236"	279.208724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M-3H"	-3.021828
"516160"	419.316724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M-3H"	-3.021828
"886310"	139.100724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-3H"	-3.021828
"10350"	419.316724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M-2H"	-2.014552
"447724"	629.478724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M-2H"	-2.014552
"823338"	209.154724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-2H"	-2.014552
"84424"	839.640724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M-H"	-1.007276
"522890"	1259.964724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M-H"	-1.007276
"902880"	419.316724	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-H"	-1.007276
"48508"	856.667271	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M-2H+NH4"	16.019271
"490254"	1276.991271	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M-2H+NH4"	16.019271
"866598"	436.343271	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-2H+NH4"	16.019271
"37055"	861.622666	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M-2H+Na"	20.974666
"485364"	1281.946666	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M-2H+Na"	20.974666
"859885"	441.298666	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-2H+Na"	20.974666
"1630512"	441.298666	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Na-2H"	20.974666
"103760"	437.305063	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M-H+Cl"	33.962126
"547693"	647.467063	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M-H+Cl"	33.962126
"940482"	227.143063	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-H+Cl"	33.962126
"276496"	875.617402	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+Cl"	34.969402
"668919"	1295.941402	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+Cl"	34.969402
"1279138"	455.293402	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Cl"	34.969402
"20961"	877.596606	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M-2H+K"	36.948606
"464529"	1297.920606	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M-2H+K"	36.948606
"841242"	457.272606	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-2H+K"	36.948606
"1564730"	457.272606	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+K-2H"	36.948606
"953707"	465.322194	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-H+HCOOH"	44.998194
"368642"	885.646201	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+HCOOH-H"	44.998201
"354713"	899.661851	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+Hac-H"	59.013851
"1500269"	479.337851	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Hac-H"	59.013851
"963435"	487.304151	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-H+NaCOOH"	66.980151
"121093"	455.293402	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+2Cl"	69.938804
"553726"	665.455402	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+2Cl"	69.938804
"1030552"	245.131402	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2Cl"	69.938804
"1253408"	499.242885	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Br"	78.918885
"1316585"	501.298872	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Cl+HCOOH"	80.974872
"1324239"	523.280829	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Cl+NaCOOH"	102.956829
"915663"	533.309586	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M-H+CF3COOH"	112.985586
"1300392"	569.286264	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Cl+CF3COOH"	148.962264
"1374906"	385.311324	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H-2H2O"	-35.012676
"1393494"	403.3213	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H-H2O"	-17.0027
"293183"	841.655276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+H"	1.007276
"685604"	1261.979276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+H"	1.007276
"1360860"	421.331276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H"	1.007276
"134842"	421.331276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+2H"	2.014552
"578778"	631.493276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+2H"	2.014552
"1048306"	211.169276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2H"	2.014552
"216572"	281.223276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+3H"	3.021828
"652856"	421.331276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+3H"	3.021828
"1173169"	141.115276	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+3H"	3.021828
"429880"	858.681823	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+NH4"	18.033823
"790876"	1279.005823	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+NH4"	18.033823
"1688299"	438.357823	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+NH4"	18.033823
"339859"	429.8445495	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+H+NH4"	19.041099
"730093"	640.0065495	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+H+NH4"	19.041099
"1482818"	219.6825495	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H+NH4"	19.041099
"403684"	863.637218	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+Na"	22.989218
"763589"	1283.961218	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+Na"	22.989218
"1614967"	443.313218	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Na"	22.989218
"328160"	432.322247	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+H+Na"	23.996494
"721799"	642.484247	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+H+Na"	23.996494
"1474521"	222.160247	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H+Na"	23.996494
"1065579"	148.44259	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2H+Na"	25.00377
"1267257"	453.357486	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+CH3OH+H"	33.033486
"384736"	879.611158	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+K"	38.963158
"745729"	1299.935158	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+K"	38.963158
"1545593"	459.287158	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+K"	38.963158
"311532"	440.309217	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+H+K"	39.970434
"699579"	650.471217	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+H+K"	39.970434
"1449027"	230.147217	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H+K"	39.970434
"243094"	882.681826	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+ACN+H"	42.033826
"1212525"	462.357826	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+ACN+H"	42.033826
"1198595"	231.682551	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+ACN+2H"	43.041102
"195841"	885.61916	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+2Na-H"	44.97116
"631031"	1305.94316	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+2Na-H"	44.97116
"1133804"	465.29516	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2Na-H"	44.97116
"177824"	443.313218	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+2Na"	45.978436
"614463"	653.475218	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+2Na"	45.978436
"1118703"	233.151218	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2Na"	45.978436
"1402230"	155.769904	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H+2Na"	46.985712
"1435436"	467.336746	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H+HCOOH"	47.012746
"228419"	448.34624	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+3H2O+2H"	56.04448
"1523049"	481.38879	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+IsoProp+H"	61.06479
"419450"	451.300188	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+Na+K"	61.952376
"781538"	661.462188	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+Na+K"	61.952376
"1678603"	241.138188	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Na+K"	61.952376
"262207"	904.663768	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+ACN+Na"	64.015768
"1237106"	484.339768	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+ACN+Na"	64.015768
"1725990"	484.363293	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+NH4+HCOOH"	64.039293
"1188069"	163.097218	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+3Na"	68.967654
"1661241"	489.318688	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Na+HCOOH"	68.994688
"165913"	917.56704	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+2K-H"	76.91904
"599035"	1337.89104	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+2K-H"	76.91904
"1087803"	497.24304	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2K-H"	76.91904
"146805"	459.287158	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"2M+2K"	77.926316
"588551"	669.449158	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"3M+2K"	77.926316
"1074159"	249.125158	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2K"	77.926316
"1104450"	499.257592	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2K+H"	78.933592
"1337554"	499.345207	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+DMSO+H"	79.021207
"1007178"	503.384376	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2ACN+H"	83.060376
"1528218"	504.378008	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+IsoProp+Na+H"	84.054008
"993572"	252.195826	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+2ACN+2H"	84.067652
"1589170"	505.292628	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+K+HCOOH"	84.968628
"1418111"	535.324138	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+H+CF3COOH"	115.000138
"1151681"	272.709101	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+3ACN+2H"	125.094202
"1703420"	552.350685	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+NH4+CF3COOH"	132.026685
"1640163"	557.30608	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+Na+CF3COOH"	136.98208
"1584563"	573.28002	"C15636"	"6-Ethylchenodeoxycholic acid;6-ECDCA;6-Ethyl-CDCA;6alpha-Ethyl-chenodeoxycholic acid"	"C26H44O4"	"420.324"	"M+K+CF3COOH"	152.95602
"805090"	341.2355	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M"	0
"985184"	322.21711	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-H2O-H"	-19.01839
"75252"	226.483057333333	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M-3H"	-3.021828
"516636"	340.228224	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M-3H"	-3.021828
"891888"	112.737890666667	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-3H"	-3.021828
"12648"	340.228224	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M-2H"	-2.014552
"446742"	510.845974	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M-2H"	-2.014552
"826730"	169.610474	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-2H"	-2.014552
"85627"	681.463724	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M-H"	-1.007276
"525187"	1022.699224	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M-H"	-1.007276
"902990"	340.228224	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-H"	-1.007276
"49711"	698.490271	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M-2H+NH4"	16.019271
"489271"	1039.725771	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M-2H+NH4"	16.019271
"869260"	357.254771	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-2H+NH4"	16.019271
"45549"	703.445666	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M-2H+Na"	20.974666
"484750"	1044.681166	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M-2H+Na"	20.974666
"860000"	362.210166	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-2H+Na"	20.974666
"1631718"	362.210166	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Na-2H"	20.974666
"103870"	358.216563	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M-H+Cl"	33.962126
"543429"	528.834313	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M-H+Cl"	33.962126
"939134"	187.598813	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-H+Cl"	33.962126
"273327"	717.440402	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+Cl"	34.969402
"666843"	1058.675902	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+Cl"	34.969402
"1280342"	376.204902	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Cl"	34.969402
"26176"	719.419606	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M-2H+K"	36.948606
"462090"	1060.655106	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M-2H+K"	36.948606
"842445"	378.184106	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-2H+K"	36.948606
"1564841"	378.184106	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+K-2H"	36.948606
"953454"	386.233694	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-H+HCOOH"	44.998194
"370939"	727.469201	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+HCOOH-H"	44.998201
"351543"	741.484851	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+Hac-H"	59.013851
"1500378"	400.249351	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Hac-H"	59.013851
"962452"	408.215651	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-H+NaCOOH"	66.980151
"114643"	376.204902	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+2Cl"	69.938804
"556389"	546.822652	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+2Cl"	69.938804
"1025553"	205.587152	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2Cl"	69.938804
"1248048"	420.154385	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Br"	78.918885
"1309403"	422.210372	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Cl+HCOOH"	80.974872
"1329087"	444.192329	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Cl+NaCOOH"	102.956829
"922332"	454.221086	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M-H+CF3COOH"	112.985586
"1297947"	490.197764	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Cl+CF3COOH"	148.962264
"1375016"	306.222824	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H-2H2O"	-35.012676
"1391419"	324.2328	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H-H2O"	-17.0027
"294387"	683.478276	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+H"	1.007276
"687537"	1024.713776	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+H"	1.007276
"1360972"	342.242776	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H"	1.007276
"136046"	342.242776	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+2H"	2.014552
"579861"	512.860526	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+2H"	2.014552
"1047687"	171.625026	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2H"	2.014552
"216682"	228.497609333333	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+3H"	3.021828
"655153"	342.242776	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+3H"	3.021828
"1178141"	114.752442666667	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+3H"	3.021828
"432179"	700.504823	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+NH4"	18.033823
"799370"	1041.740323	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+NH4"	18.033823
"1690597"	359.269323	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+NH4"	18.033823
"342156"	350.7560495	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+H+NH4"	19.041099
"734578"	521.3737995	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+H+NH4"	19.041099
"1484022"	180.1382995	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H+NH4"	19.041099
"406710"	705.460218	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+Na"	22.989218
"766980"	1046.695718	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+Na"	22.989218
"1616171"	364.224718	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Na"	22.989218
"329001"	353.233747	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+H+Na"	23.996494
"722478"	523.851497	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+H+Na"	23.996494
"1475849"	182.615997	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H+Na"	23.996494
"1066783"	122.079756666667	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2H+Na"	25.00377
"1267367"	374.268986	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+CH3OH+H"	33.033486
"387033"	721.434158	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+K"	38.963158
"745839"	1062.669658	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+K"	38.963158
"1546796"	380.198658	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+K"	38.963158
"312371"	361.220717	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+H+K"	39.970434
"697503"	531.838467	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+H+K"	39.970434
"1449137"	190.602967	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H+K"	39.970434
"243204"	724.504826	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+ACN+H"	42.033826
"1214822"	383.269326	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+ACN+H"	42.033826
"1196516"	192.138301	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+ACN+2H"	43.041102
"192303"	727.44216	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+2Na-H"	44.97116
"631863"	1068.67766	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+2Na-H"	44.97116
"1136829"	386.20666	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2Na-H"	44.97116
"176109"	364.224718	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+2Na"	45.978436
"619679"	534.842468	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+2Na"	45.978436
"1122093"	193.606968	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2Na"	45.978436
"1405254"	129.407070666667	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H+2Na"	46.985712
"1437370"	388.248246	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H+HCOOH"	47.012746
"227436"	369.25774	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+3H2O+2H"	56.04448
"1519878"	402.30029	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+IsoProp+H"	61.06479
"419560"	372.211688	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+Na+K"	61.952376
"781648"	542.829438	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+Na+K"	61.952376
"1675796"	201.593938	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Na+K"	61.952376
"260129"	746.486768	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+ACN+Na"	64.015768
"1236120"	405.251268	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+ACN+Na"	64.015768
"1725007"	405.274793	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+NH4+HCOOH"	64.039293
"1185992"	136.734384666667	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+3Na"	68.967654
"1658071"	410.230188	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Na+HCOOH"	68.994688
"166023"	759.39004	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+2K-H"	76.91904
"600483"	1100.62554	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+2K-H"	76.91904
"1088641"	418.15454	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2K-H"	76.91904
"145822"	380.198658	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"2M+2K"	77.926316
"587568"	550.816408	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"3M+2K"	77.926316
"1074634"	209.580908	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2K"	77.926316
"1108572"	420.169092	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2K+H"	78.933592
"1340582"	420.256707	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+DMSO+H"	79.021207
"1008017"	424.295876	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2ACN+H"	83.060376
"1527235"	425.289508	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+IsoProp+Na+H"	84.054008
"995869"	212.651576	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+2ACN+2H"	84.067652
"1589280"	426.204128	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+K+HCOOH"	84.968628
"1419314"	456.235638	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+H+CF3COOH"	115.000138
"1150696"	233.164851	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+3ACN+2H"	125.094202
"1702436"	473.262185	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+NH4+CF3COOH"	132.026685
"1636993"	478.21758	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+Na+CF3COOH"	136.98208
"1584673"	494.19152	"C15637"	"Pregnenolone carbonitrile;3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;Pregnenolone-16alpha-carbonitrile;PCN"	"C22H31NO2"	"341.2355"	"M+K+CF3COOH"	152.95602
"805200"	276.2453	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M"	0
"978732"	257.22691	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-H2O-H"	-19.01839
"71349"	183.156257333333	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M-3H"	-3.021828
"515653"	275.238024	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M-3H"	-3.021828
"893092"	91.0744906666666	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-3H"	-3.021828
"13487"	275.238024	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M-2H"	-2.014552
"449040"	413.360674	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M-2H"	-2.014552
"829027"	137.115374	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-2H"	-2.014552
"89018"	551.483324	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M-H"	-1.007276
"527484"	827.728624	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M-H"	-1.007276
"906380"	275.238024	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-H"	-1.007276
"52008"	568.509871	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M-2H+NH4"	16.019271
"493754"	844.755171	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M-2H+NH4"	16.019271
"872650"	292.264571	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-2H+NH4"	16.019271
"35080"	573.465266	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M-2H+Na"	20.974666
"484856"	849.710566	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M-2H+Na"	20.974666
"859016"	297.219966	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-2H+Na"	20.974666
"1630735"	297.219966	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Na-2H"	20.974666
"103980"	293.226363	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M-H+Cl"	33.962126
"543539"	431.349013	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M-H+Cl"	33.962126
"935964"	155.103713	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-H+Cl"	33.962126
"272707"	587.460002	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+Cl"	34.969402
"667317"	863.705302	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+Cl"	34.969402
"1283732"	311.214702	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Cl"	34.969402
"24100"	589.439206	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M-2H+K"	36.948606
"462200"	865.684506	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M-2H+K"	36.948606
"842556"	313.193906	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-2H+K"	36.948606
"1563857"	313.193906	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+K-2H"	36.948606
"951743"	321.243494	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-H+HCOOH"	44.998194
"371050"	597.488801	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+HCOOH-H"	44.998201
"351656"	611.504451	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+Hac-H"	59.013851
"1500490"	335.259151	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Hac-H"	59.013851
"964019"	343.225451	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-H+NaCOOH"	66.980151
"112562"	311.214702	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+2Cl"	69.938804
"556499"	449.337352	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+2Cl"	69.938804
"1024934"	173.092052	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2Cl"	69.938804
"1246699"	355.164185	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Br"	78.918885
"1309148"	357.220172	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Cl+HCOOH"	80.974872
"1329197"	379.202129	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Cl+NaCOOH"	102.956829
"922442"	389.230886	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M-H+CF3COOH"	112.985586
"1296963"	425.207564	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Cl+CF3COOH"	148.962264
"1375127"	241.232624	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H-2H2O"	-35.012676
"1392622"	259.2426	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H-H2O"	-17.0027
"297535"	553.497876	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+H"	1.007276
"687647"	829.743176	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+H"	1.007276
"1363268"	277.252576	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H"	1.007276
"137249"	277.252576	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+2H"	2.014552
"579366"	415.375226	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+2H"	2.014552
"1050714"	139.129926	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2H"	2.014552
"216792"	185.170809333333	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+3H"	3.021828
"651983"	277.252576	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+3H"	3.021828
"1172296"	93.0890426666667	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+3H"	3.021828
"433382"	570.524423	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+NH4"	18.033823
"791096"	846.769723	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+NH4"	18.033823
"1691800"	294.279123	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+NH4"	18.033823
"337892"	285.7658495	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+H+NH4"	19.041099
"731408"	423.8884995	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+H+NH4"	19.041099
"1484131"	147.6431995	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H+NH4"	19.041099
"403904"	575.479818	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+Na"	22.989218
"765996"	851.725118	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+Na"	22.989218
"1615187"	299.234518	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Na"	22.989218
"328870"	288.243547	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+H+Na"	23.996494
"722384"	426.366197	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+H+Na"	23.996494
"1474741"	150.120897	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H+Na"	23.996494
"1063611"	100.416356666667	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2H+Na"	25.00377
"1269298"	309.278786	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+CH3OH+H"	33.033486
"387143"	591.453758	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+K"	38.963158
"745948"	867.699058	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+K"	38.963158
"1543626"	315.208458	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+K"	38.963158
"312117"	296.230517	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+H+K"	39.970434
"698707"	434.353167	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+H+K"	39.970434
"1448154"	158.107867	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H+K"	39.970434
"240034"	594.524426	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+ACN+H"	42.033826
"1211288"	318.279126	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+ACN+H"	42.033826
"1195651"	159.643201	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+ACN+2H"	43.041102
"190955"	597.46176	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+2Na-H"	44.97116
"631244"	873.70706	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+2Na-H"	44.97116
"1135116"	321.21646	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2Na-H"	44.97116
"176216"	299.234518	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+2Na"	45.978436
"616509"	437.357168	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+2Na"	45.978436
"1117101"	161.111868	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2Na"	45.978436
"1400624"	107.743670666667	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H+2Na"	46.985712
"1432010"	323.258046	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H+HCOOH"	47.012746
"227543"	304.26754	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+3H2O+2H"	56.04448
"1518529"	337.31009	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+IsoProp+H"	61.06479
"414204"	307.221488	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+Na+K"	61.952376
"777385"	445.344138	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+Na+K"	61.952376
"1671532"	169.098838	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Na+K"	61.952376
"258053"	616.506368	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+ACN+Na"	64.015768
"1235137"	340.261068	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+ACN+Na"	64.015768
"1724023"	340.284593	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+NH4+HCOOH"	64.039293
"1186102"	115.070984666667	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+3Na"	68.967654
"1660368"	345.239988	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Na+HCOOH"	68.994688
"167227"	629.40964	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+2K-H"	76.91904
"602416"	905.65494	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+2K-H"	76.91904
"1091303"	353.16434	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2K-H"	76.91904
"145933"	315.208458	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"2M+2K"	77.926316
"585492"	453.331108	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"3M+2K"	77.926316
"1078751"	177.085808	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2K"	77.926316
"1107586"	355.178892	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2K+H"	78.933592
"1342878"	355.266507	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+DMSO+H"	79.021207
"1011407"	359.305676	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2ACN+H"	83.060376
"1528439"	360.299308	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+IsoProp+Na+H"	84.054008
"994886"	180.156476	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+2ACN+2H"	84.067652
"1590483"	361.213928	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+K+HCOOH"	84.968628
"1418331"	391.245438	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+H+CF3COOH"	115.000138
"1151899"	200.669751	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+3ACN+2H"	125.094202
"1701453"	408.271985	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+NH4+CF3COOH"	132.026685
"1637103"	413.22738	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+Na+CF3COOH"	136.98208
"1584783"	429.20132	"C15638"	"3-Androstanol;5alpha-Androstan-3alpha-ol;Androstanol"	"C19H32O"	"276.2453"	"M+K+CF3COOH"	152.95602
"816999"	434.9767	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M"	0
"989845"	415.95831	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-H2O-H"	-19.01839
"76567"	288.977190666667	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M-3H"	-3.021828
"518275"	433.969424	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M-3H"	-3.021828
"891017"	143.984957333333	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-3H"	-3.021828
"11779"	433.969424	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M-2H"	-2.014552
"453524"	651.457774	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M-2H"	-2.014552
"829138"	216.481074	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-2H"	-2.014552
"93387"	868.946124	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M-H"	-1.007276
"529782"	1303.922824	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M-H"	-1.007276
"909772"	433.969424	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-H"	-1.007276
"61598"	885.972671	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M-2H+NH4"	16.019271
"500428"	1320.949371	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M-2H+NH4"	16.019271
"877134"	450.995971	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-2H+NH4"	16.019271
"38474"	890.928066	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M-2H+Na"	20.974666
"479129"	1325.904766	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M-2H+Na"	20.974666
"862406"	455.951366	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-2H+Na"	20.974666
"1631943"	455.951366	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Na-2H"	20.974666
"108105"	451.957763	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M-H+Cl"	33.962126
"547545"	669.446113	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M-H+Cl"	33.962126
"938997"	234.469413	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-H+Cl"	33.962126
"276100"	904.922802	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+Cl"	34.969402
"667062"	1339.899502	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+Cl"	34.969402
"1286278"	469.946102	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Cl"	34.969402
"28591"	906.902006	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M-2H+K"	36.948606
"467057"	1341.878706	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M-2H+K"	36.948606
"842669"	471.925306	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-2H+K"	36.948606
"1565062"	471.925306	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+K-2H"	36.948606
"951852"	479.974894	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-H+HCOOH"	44.998194
"368978"	914.951601	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+HCOOH-H"	44.998201
"355775"	928.967251	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+Hac-H"	59.013851
"1499506"	493.990551	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Hac-H"	59.013851
"961214"	501.956851	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-H+NaCOOH"	66.980151
"113039"	469.946102	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+2Cl"	69.938804
"556612"	687.434452	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+2Cl"	69.938804
"1027597"	252.457752	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2Cl"	69.938804
"1251549"	513.895585	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Br"	78.918885
"1316186"	515.951572	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Cl+HCOOH"	80.974872
"1332588"	537.933529	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Cl+NaCOOH"	102.956829
"921460"	547.962286	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M-H+CF3COOH"	112.985586
"1300356"	583.938964	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Cl+CF3COOH"	148.962264
"1381193"	399.964024	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H-2H2O"	-35.012676
"1398410"	417.974	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H-H2O"	-17.0027
"298507"	870.960676	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+H"	1.007276
"689219"	1305.937376	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+H"	1.007276
"1366750"	435.983976	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H"	1.007276
"140642"	435.983976	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+2H"	2.014552
"581139"	653.472326	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+2H"	2.014552
"1049001"	218.495626	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2H"	2.014552
"219711"	290.991742666667	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+3H"	3.021828
"659715"	435.983976	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+3H"	3.021828
"1178310"	145.999509333333	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+3H"	3.021828
"439818"	887.987223	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+NH4"	18.033823
"793393"	1322.963923	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+NH4"	18.033823
"1694098"	453.010523	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+NH4"	18.033823
"339095"	444.4972495	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+H+NH4"	19.041099
"738127"	661.9855995	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+H+NH4"	19.041099
"1492145"	227.0088995	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H+NH4"	19.041099
"405110"	892.942618	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+Na"	22.989218
"768657"	1327.919318	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+Na"	22.989218
"1618173"	457.965918	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Na"	22.989218
"329223"	446.974947	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+H+Na"	23.996494
"719941"	664.463297	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+H+Na"	23.996494
"1475946"	229.486597	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H+Na"	23.996494
"1067003"	153.326823333333	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2H+Na"	25.00377
"1267587"	468.010186	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+CH3OH+H"	33.033486
"389441"	908.916558	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+K"	38.963158
"742780"	1343.893258	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+K"	38.963158
"1544831"	473.939858	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+K"	38.963158
"313889"	454.961917	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+H+K"	39.970434
"694443"	672.450267	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+H+K"	39.970434
"1452638"	237.473567	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H+K"	39.970434
"239053"	911.987226	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+ACN+H"	42.033826
"1212857"	477.010526	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+ACN+H"	42.033826
"1197834"	239.008901	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+ACN+2H"	43.041102
"195081"	914.92456	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+2Na-H"	44.97116
"632452"	1349.90126	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+2Na-H"	44.97116
"1132793"	479.94786	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2Na-H"	44.97116
"177061"	457.965918	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+2Na"	45.978436
"614550"	675.454268	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+2Na"	45.978436
"1123410"	240.477568	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2Na"	45.978436
"1406933"	160.654137333333	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H+2Na"	46.985712
"1437957"	481.989446	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H+HCOOH"	47.012746
"227654"	462.99894	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+3H2O+2H"	56.04448
"1515724"	496.04149	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+IsoProp+H"	61.06479
"420878"	465.952888	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+Na+K"	61.952376
"776405"	683.441238	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+Na+K"	61.952376
"1674924"	248.464538	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Na+K"	61.952376
"254883"	933.969168	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+ACN+Na"	64.015768
"1241005"	498.992468	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+ACN+Na"	64.015768
"1727782"	499.015993	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+NH4+HCOOH"	64.039293
"1192774"	167.981451333333	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+3Na"	68.967654
"1661573"	503.971388	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Na+HCOOH"	68.994688
"170621"	946.87244	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+2K-H"	76.91904
"605807"	1381.84914	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+2K-H"	76.91904
"1096518"	511.89574	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2K-H"	76.91904
"152603"	473.939858	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"2M+2K"	77.926316
"594352"	691.428208	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"3M+2K"	77.926316
"1081051"	256.451508	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2K"	77.926316
"1112072"	513.910292	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2K+H"	78.933592
"1347361"	513.997907	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+DMSO+H"	79.021207
"1015892"	518.037076	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2ACN+H"	83.060376
"1536934"	519.030708	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+IsoProp+Na+H"	84.054008
"1004720"	259.522176	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+2ACN+2H"	84.067652
"1598254"	519.945328	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+K+HCOOH"	84.968628
"1425005"	549.976838	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+H+CF3COOH"	115.000138
"1153105"	280.035451	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+3ACN+2H"	125.094202
"1700470"	567.003385	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+NH4+CF3COOH"	132.026685
"1638306"	571.95878	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+Na+CF3COOH"	136.98208
"1584893"	587.93272	"C15639"	"CITCO;6-(4-Chlorophenyl)imidazo21-b13thiazole-5-carbaldehyde O-(34-dichlorobenzyl)oxime"	"C19H12Cl3N3OS"	"434.9767"	"M+K+CF3COOH"	152.95602
"805419"	363.2198	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M"	0
"984420"	344.20141	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-H2O-H"	-19.01839
"71568"	241.139257333333	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M-3H"	-3.021828
"516600"	362.212524	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M-3H"	-3.021828
"892947"	120.065990666667	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-3H"	-3.021828
"12615"	362.212524	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M-2H"	-2.014552
"451082"	543.822424	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M-2H"	-2.014552
"829976"	180.602624	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-2H"	-2.014552
"89238"	725.432324	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M-H"	-1.007276
"527704"	1088.652124	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M-H"	-1.007276
"899307"	362.212524	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-H"	-1.007276
"51495"	742.458871	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M-2H+NH4"	16.019271
"493974"	1105.678671	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M-2H+NH4"	16.019271
"873963"	379.239071	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-2H+NH4"	16.019271
"33842"	747.414266	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M-2H+Na"	20.974666
"475957"	1110.634066	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M-2H+Na"	20.974666
"862515"	384.194466	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-2H+Na"	20.974666
"1631688"	384.194466	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Na-2H"	20.974666
"108214"	380.200863	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M-H+Cl"	33.962126
"548140"	561.810763	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M-H+Cl"	33.962126
"940929"	198.590963	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-H+Cl"	33.962126
"279125"	761.409002	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+Cl"	34.969402
"671545"	1124.628802	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+Cl"	34.969402
"1286139"	398.189202	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Cl"	34.969402
"28700"	763.388206	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M-2H+K"	36.948606
"466074"	1126.608006	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M-2H+K"	36.948606
"846059"	400.168406	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-2H+K"	36.948606
"1567359"	400.168406	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+K-2H"	36.948606
"955242"	408.217994	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-H+HCOOH"	44.998194
"372366"	771.437801	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+HCOOH-H"	44.998201
"355157"	785.453451	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+Hac-H"	59.013851
"1500709"	422.233651	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Hac-H"	59.013851
"960957"	430.199951	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-H+NaCOOH"	66.980151
"110835"	398.189202	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+2Cl"	69.938804
"553441"	579.799102	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+2Cl"	69.938804
"1025518"	216.579302	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2Cl"	69.938804
"1250565"	442.138685	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Br"	78.918885
"1316296"	444.194672	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Cl+HCOOH"	80.974872
"1326137"	466.176629	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Cl+NaCOOH"	102.956829
"921570"	476.205386	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M-H+CF3COOH"	112.985586
"1299373"	512.182064	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Cl+CF3COOH"	148.962264
"1377533"	328.207124	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H-2H2O"	-35.012676
"1396123"	346.2171	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H-H2O"	-17.0027
"298483"	727.446876	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+H"	1.007276
"690788"	1090.666676	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+H"	1.007276
"1366986"	364.227076	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H"	1.007276
"141199"	364.227076	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+2H"	2.014552
"580311"	545.836976	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+2H"	2.014552
"1045827"	182.617176	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2H"	2.014552
"219696"	243.153809333333	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+3H"	3.021828
"658774"	364.227076	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+3H"	3.021828
"1177744"	122.080542666667	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+3H"	3.021828
"438830"	744.473423	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+NH4"	18.033823
"798970"	1107.693223	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+NH4"	18.033823
"1694210"	381.253623	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+NH4"	18.033823
"343216"	372.7403495	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+H+NH4"	19.041099
"737098"	554.3502495	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+H+NH4"	19.041099
"1491645"	191.1304495	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H+NH4"	19.041099
"408437"	749.428818	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+Na"	22.989218
"768767"	1112.648618	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+Na"	22.989218
"1618436"	386.209018	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Na"	22.989218
"329891"	375.218047	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+H+Na"	23.996494
"722607"	556.827947	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+H+Na"	23.996494
"1475328"	193.608147	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H+Na"	23.996494
"1067478"	129.407856666667	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2H+Na"	25.00377
"1266604"	396.253286	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+CH3OH+H"	33.033486
"387364"	765.402758	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+K"	38.963158
"745078"	1128.622558	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+K"	38.963158
"1547128"	402.182958	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+K"	38.963158
"313797"	383.205017	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+H+K"	39.970434
"698928"	564.814917	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+H+K"	39.970434
"1451655"	201.595117	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H+K"	39.970434
"236613"	768.473426	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+ACN+H"	42.033826
"1214059"	405.253626	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+ACN+H"	42.033826
"1196851"	203.130451	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+ACN+2H"	43.041102
"197378"	771.41076	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+2Na-H"	44.97116
"631832"	1134.63056	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+2Na-H"	44.97116
"1133150"	408.19096	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2Na-H"	44.97116
"176078"	386.209018	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+2Na"	45.978436
"613447"	567.818918	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+2Na"	45.978436
"1122427"	204.599118	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2Na"	45.978436
"1404857"	136.735170666667	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H+2Na"	46.985712
"1431503"	410.232546	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H+HCOOH"	47.012746
"228856"	391.24204	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+3H2O+2H"	56.04448
"1520205"	424.28459	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+IsoProp+H"	61.06479
"416610"	394.195988	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+Na+K"	61.952376
"781615"	575.805888	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+Na+K"	61.952376
"1675034"	212.586088	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Na+K"	61.952376
"257179"	790.455368	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+ACN+Na"	64.015768
"1240790"	427.235568	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+ACN+Na"	64.015768
"1727047"	427.259093	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+NH4+HCOOH"	64.039293
"1192887"	144.062484666667	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+3Na"	68.967654
"1661683"	432.214488	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Na+HCOOH"	68.994688
"170730"	803.35864	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+2K-H"	76.91904
"603730"	1166.57844	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+2K-H"	76.91904
"1093711"	440.13884	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2K-H"	76.91904
"149433"	402.182958	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"2M+2K"	77.926316
"595920"	583.792858	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"3M+2K"	77.926316
"1080068"	220.573058	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2K"	77.926316
"1111088"	442.153392	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2K+H"	78.933592
"1345286"	442.241007	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+DMSO+H"	79.021207
"1012722"	446.280176	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2ACN+H"	83.060376
"1528659"	447.273808	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+IsoProp+Na+H"	84.054008
"1000574"	223.643726	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+2ACN+2H"	84.067652
"1589611"	448.188428	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+K+HCOOH"	84.968628
"1422926"	478.219938	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+H+CF3COOH"	115.000138
"1152121"	244.157001	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+3ACN+2H"	125.094202
"1700579"	495.246485	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+NH4+CF3COOH"	132.026685
"1635136"	500.20188	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+Na+CF3COOH"	136.98208
"1585003"	516.17582	"C15640"	"LG 100268"	"C24H29NO2"	"363.2198"	"M+K+CF3COOH"	152.95602
"805529"	596.0565	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M"	0
"984530"	577.03811	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-H2O-H"	-19.01839
"71678"	396.363724	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M-3H"	-3.021828
"515617"	595.049224	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M-3H"	-3.021828
"892327"	197.678224	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-3H"	-3.021828
"11996"	595.049224	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M-2H"	-2.014552
"450463"	893.077474	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M-2H"	-2.014552
"829357"	297.020974	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-2H"	-2.014552
"90441"	1191.105724	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M-H"	-1.007276
"527814"	1787.162224	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M-H"	-1.007276
"899417"	595.049224	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-H"	-1.007276
"50146"	1208.132271	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M-2H+NH4"	16.019271
"492991"	1804.188771	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M-2H+NH4"	16.019271
"874073"	612.075771	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-2H+NH4"	16.019271
"34680"	1213.087666	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M-2H+Na"	20.974666
"476067"	1809.144166	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M-2H+Na"	20.974666
"861896"	617.031166	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-2H+Na"	20.974666
"1632890"	617.031166	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Na-2H"	20.974666
"104313"	613.037563	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M-H+Cl"	33.962126
"548249"	911.065813	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M-H+Cl"	33.962126
"939576"	315.009313	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-H+Cl"	33.962126
"279235"	1227.082402	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+Cl"	34.969402
"671655"	1823.138902	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+Cl"	34.969402
"1287951"	631.025902	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Cl"	34.969402
"28811"	1229.061606	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M-2H+K"	36.948606
"466184"	1825.118106	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M-2H+K"	36.948606
"846897"	633.005106	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-2H+K"	36.948606
"1567468"	633.005106	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+K-2H"	36.948606
"953164"	641.054694	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-H+HCOOH"	44.998194
"372474"	1237.111201	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+HCOOH-H"	44.998201
"354170"	1251.126851	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+Hac-H"	59.013851
"1501548"	655.070351	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Hac-H"	59.013851
"959977"	663.036651	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-H+NaCOOH"	66.980151
"111434"	631.025902	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+2Cl"	69.938804
"551726"	929.054152	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+2Cl"	69.938804
"1022712"	332.997652	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2Cl"	69.938804
"1243745"	674.975385	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Br"	78.918885
"1310940"	677.031372	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Cl+HCOOH"	80.974872
"1327340"	699.013329	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Cl+NaCOOH"	102.956829
"920587"	709.042086	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M-H+CF3COOH"	112.985586
"1298390"	745.018764	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Cl+CF3COOH"	148.962264
"1377643"	561.043824	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H-2H2O"	-35.012676
"1395140"	579.0538	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H-H2O"	-17.0027
"294826"	1193.120276	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+H"	1.007276
"690167"	1789.176776	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+H"	1.007276
"1364692"	597.063776	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H"	1.007276
"137580"	597.063776	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+2H"	2.014552
"574953"	895.092026	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+2H"	2.014552
"1045939"	299.035526	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2H"	2.014552
"219680"	398.378276	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+3H"	3.021828
"659649"	597.063776	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+3H"	3.021828
"1178099"	199.692776	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+3H"	3.021828
"438816"	1210.146823	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+NH4"	18.033823
"798717"	1806.203323	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+NH4"	18.033823
"1692131"	614.090323	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+NH4"	18.033823
"344421"	605.5770495	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+H+NH4"	19.041099
"738436"	903.6052995	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+H+NH4"	19.041099
"1491636"	307.5487995	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H+NH4"	19.041099
"408417"	1215.102218	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+Na"	22.989218
"769001"	1811.158718	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+Na"	22.989218
"1617463"	619.045718	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Na"	22.989218
"329080"	608.054747	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+H+Na"	23.996494
"722475"	906.082997	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+H+Na"	23.996494
"1475439"	310.026497	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H+Na"	23.996494
"1066739"	207.02009	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2H+Na"	25.00377
"1266714"	629.089986	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+CH3OH+H"	33.033486
"387474"	1231.076158	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+K"	38.963158
"745188"	1827.132658	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+K"	38.963158
"1546145"	635.019658	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+K"	38.963158
"314070"	616.041717	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+H+K"	39.970434
"697945"	914.069967	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+H+K"	39.970434
"1450671"	318.013467	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H+K"	39.970434
"237087"	1234.146826	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+ACN+H"	42.033826
"1214169"	638.090326	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+ACN+H"	42.033826
"1196961"	319.548801	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+ACN+2H"	43.041102
"197488"	1237.08416	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+2Na-H"	44.97116
"631578"	1833.14066	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+2Na-H"	44.97116
"1135447"	641.02766	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2Na-H"	44.97116
"176309"	619.045718	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+2Na"	45.978436
"614288"	917.073968	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+2Na"	45.978436
"1120349"	321.017468	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2Na"	45.978436
"1404967"	214.347404	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H+2Na"	46.985712
"1433800"	643.069246	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H+HCOOH"	47.012746
"227873"	624.07874	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+3H2O+2H"	56.04448
"1518126"	657.12129	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+IsoProp+H"	61.06479
"415625"	627.032688	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+Na+K"	61.952376
"772975"	925.060938	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+Na+K"	61.952376
"1677331"	329.004438	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Na+K"	61.952376
"257289"	1256.128768	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+ACN+Na"	64.015768
"1236561"	660.072268	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+ACN+Na"	64.015768
"1727882"	660.095793	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+NH4+HCOOH"	64.039293
"1193845"	221.674718	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+3Na"	68.967654
"1662886"	665.051188	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Na+HCOOH"	68.994688
"167560"	1269.03204	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+2K-H"	76.91904
"600924"	1865.08854	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+2K-H"	76.91904
"1090905"	672.97554	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2K-H"	76.91904
"149543"	635.019658	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"2M+2K"	77.926316
"595544"	933.047908	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"3M+2K"	77.926316
"1077991"	336.991408	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2K"	77.926316
"1110105"	674.990092	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2K+H"	78.933592
"1343209"	675.077707	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+DMSO+H"	79.021207
"1011739"	679.116876	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2ACN+H"	83.060376
"1528769"	680.110508	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+IsoProp+Na+H"	84.054008
"1000683"	340.062076	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+2ACN+2H"	84.067652
"1587655"	681.025128	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+K+HCOOH"	84.968628
"1421943"	711.056638	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+H+CF3COOH"	115.000138
"1152231"	360.575351	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+3ACN+2H"	125.094202
"1699595"	728.083185	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+NH4+CF3COOH"	132.026685
"1638526"	733.03858	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+Na+CF3COOH"	136.98208
"1585113"	749.01252	"C15641"	"XCT 790"	"C23H13F9N4O3S"	"596.0565"	"M+K+CF3COOH"	152.95602
"815480"	282.1368	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M"	0
"984640"	263.11841	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-H2O-H"	-19.01839
"70695"	187.083924	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M-3H"	-3.021828
"517186"	281.129524	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M-3H"	-3.021828
"892437"	93.038324	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-3H"	-3.021828
"12107"	281.129524	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M-2H"	-2.014552
"442920"	422.197924	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M-2H"	-2.014552
"828377"	140.061124	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-2H"	-2.014552
"90557"	563.266324	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M-H"	-1.007276
"531569"	845.403124	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M-H"	-1.007276
"902443"	281.129524	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-H"	-1.007276
"51352"	580.292871	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M-2H+NH4"	16.019271
"496381"	862.429671	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M-2H+NH4"	16.019271
"877463"	298.156071	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-2H+NH4"	16.019271
"33698"	585.248266	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M-2H+Na"	20.974666
"477270"	867.385066	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M-2H+Na"	20.974666
"850698"	303.111466	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-2H+Na"	20.974666
"1627892"	303.111466	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Na-2H"	20.974666
"106248"	299.117863	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M-H+Cl"	33.962126
"545076"	440.186263	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M-H+Cl"	33.962126
"938589"	158.049463	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-H+Cl"	33.962126
"272779"	599.243002	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+Cl"	34.969402
"664474"	881.379802	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+Cl"	34.969402
"1284169"	317.106202	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Cl"	34.969402
"27828"	601.222206	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M-2H+K"	36.948606
"464107"	883.359006	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M-2H+K"	36.948606
"847008"	319.085406	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-2H+K"	36.948606
"1568672"	319.085406	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+K-2H"	36.948606
"953274"	327.134994	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-H+HCOOH"	44.998194
"372585"	609.271801	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+HCOOH-H"	44.998201
"353187"	623.287451	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+Hac-H"	59.013851
"1503115"	341.150651	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Hac-H"	59.013851
"963004"	349.116951	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-H+NaCOOH"	66.980151
"111181"	317.106202	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+2Cl"	69.938804
"551225"	458.174602	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+2Cl"	69.938804
"1021891"	176.037802	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2Cl"	69.938804
"1244223"	361.055685	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Br"	78.918885
"1309957"	363.111672	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Cl+HCOOH"	80.974872
"1329637"	385.093629	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Cl+NaCOOH"	102.956829
"918509"	395.122386	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M-H+CF3COOH"	112.985586
"1298498"	431.099064	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Cl+CF3COOH"	148.962264
"1377753"	247.124124	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H-2H2O"	-35.012676
"1397073"	265.1341	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H-H2O"	-17.0027
"296030"	565.280876	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+H"	1.007276
"689548"	847.417676	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+H"	1.007276
"1366504"	283.144076	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H"	1.007276
"139514"	283.144076	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+2H"	2.014552
"576157"	424.212476	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+2H"	2.014552
"1047142"	142.075676	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2H"	2.014552
"219793"	189.098476	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+3H"	3.021828
"659681"	283.144076	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+3H"	3.021828
"1177726"	95.052876	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+3H"	3.021828
"439854"	582.307423	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+NH4"	18.033823
"800655"	864.444223	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+NH4"	18.033823
"1694429"	300.170623	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+NH4"	18.033823
"343072"	291.6573495	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+H+NH4"	19.041099
"738467"	432.7257495	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+H+NH4"	19.041099
"1492524"	150.5889495	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H+NH4"	19.041099
"407762"	587.262818	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+Na"	22.989218
"768873"	869.399618	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+Na"	22.989218
"1616965"	305.126018	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Na"	22.989218
"328460"	294.135047	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+H+Na"	23.996494
"721736"	435.203447	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+H+Na"	23.996494
"1472997"	153.066647	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H+Na"	23.996494
"1065877"	102.38019	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2H+Na"	25.00377
"1266824"	315.170286	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+CH3OH+H"	33.033486
"383211"	603.236758	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+K"	38.963158
"745298"	885.373558	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+K"	38.963158
"1547348"	321.099958	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+K"	38.963158
"313899"	302.122017	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+H+K"	39.970434
"695870"	443.190417	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+H+K"	39.970434
"1451875"	161.053617	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H+K"	39.970434
"236468"	606.307426	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+ACN+H"	42.033826
"1218653"	324.170626	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+ACN+H"	42.033826
"1198164"	162.588951	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+ACN+2H"	43.041102
"194316"	609.24476	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+2Na-H"	44.97116
"634968"	891.38156	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+2Na-H"	44.97116
"1139567"	327.10796	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2Na-H"	44.97116
"173050"	305.126018	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+2Na"	45.978436
"615857"	446.194418	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+2Na"	45.978436
"1115653"	164.057618	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2Na"	45.978436
"1399729"	109.707504	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H+2Na"	46.985712
"1429931"	329.149546	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H+HCOOH"	47.012746
"226890"	310.15904	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+3H2O+2H"	56.04448
"1518236"	343.20159	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+IsoProp+H"	61.06479
"419015"	313.112988	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+Na+K"	61.952376
"774908"	454.181388	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+Na+K"	61.952376
"1677441"	172.044588	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Na+K"	61.952376
"258492"	628.289368	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+ACN+Na"	64.015768
"1236671"	346.152568	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+ACN+Na"	64.015768
"1723369"	346.176093	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+NH4+HCOOH"	64.039293
"1192009"	117.034818	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+3Na"	68.967654
"1660809"	351.131488	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Na+HCOOH"	68.994688
"168763"	641.19264	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+2K-H"	76.91904
"608326"	923.32944	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+2K-H"	76.91904
"1089193"	359.05584	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2K-H"	76.91904
"149653"	321.099958	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"2M+2K"	77.926316
"590309"	462.168358	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"3M+2K"	77.926316
"1078101"	180.031558	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2K"	77.926316
"1108028"	361.070392	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2K+H"	78.933592
"1341132"	361.158007	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+DMSO+H"	79.021207
"1012942"	365.197176	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2ACN+H"	83.060376
"1528880"	366.190808	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+IsoProp+Na+H"	84.054008
"995326"	183.102226	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+2ACN+2H"	84.067652
"1589832"	367.105428	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+K+HCOOH"	84.968628
"1422053"	397.136938	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+H+CF3COOH"	115.000138
"1155623"	203.615501	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+3ACN+2H"	125.094202
"1697519"	414.163485	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+NH4+CF3COOH"	132.026685
"1637544"	419.11888	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+Na+CF3COOH"	136.98208
"1585223"	435.09282	"C15642"	"GSK 4716"	"C17H18N2O2"	"282.1368"	"M+K+CF3COOH"	152.95602
"815590"	392.1999	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M"	0
"985843"	373.18151	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-H2O-H"	-19.01839
"71898"	260.459324	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M-3H"	-3.021828
"518434"	391.192624	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M-3H"	-3.021828
"893640"	129.726024	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-3H"	-3.021828
"13676"	391.192624	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M-2H"	-2.014552
"445217"	587.292574	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M-2H"	-2.014552
"829216"	195.092674	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-2H"	-2.014552
"92126"	783.392524	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M-H"	-1.007276
"532044"	1175.592424	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M-H"	-1.007276
"902553"	391.192624	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-H"	-1.007276
"49276"	800.419071	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M-2H+NH4"	16.019271
"497584"	1192.618971	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M-2H+NH4"	16.019271
"874293"	408.219171	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-2H+NH4"	16.019271
"33200"	805.374466	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M-2H+Na"	20.974666
"480660"	1197.574366	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M-2H+Na"	20.974666
"851901"	413.174566	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-2H+Na"	20.974666
"1624722"	413.174566	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Na-2H"	20.974666
"106720"	409.180963	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M-H+Cl"	33.962126
"548101"	605.280913	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M-H+Cl"	33.962126
"940887"	213.081013	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-H+Cl"	33.962126
"272887"	819.369202	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+Cl"	34.969402
"663852"	1211.569102	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+Cl"	34.969402
"1276986"	427.169302	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Cl"	34.969402
"27929"	821.348406	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M-2H+K"	36.948606
"469923"	1213.548306	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M-2H+K"	36.948606
"843105"	429.148506	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-2H+K"	36.948606
"1567686"	429.148506	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+K-2H"	36.948606
"954477"	437.198094	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-H+HCOOH"	44.998194
"374153"	829.398001	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+HCOOH-H"	44.998201
"357671"	843.413651	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+Hac-H"	59.013851
"1502861"	451.213751	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Hac-H"	59.013851
"968945"	459.180051	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-H+NaCOOH"	66.980151
"114208"	427.169302	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+2Cl"	69.938804
"550486"	623.269252	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+2Cl"	69.938804
"1022441"	231.069352	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2Cl"	69.938804
"1241900"	471.118785	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Br"	78.918885
"1304960"	473.174772	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Cl+HCOOH"	80.974872
"1324280"	495.156729	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Cl+NaCOOH"	102.956829
"914243"	505.185486	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M-H+CF3COOH"	112.985586
"1294232"	541.162164	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Cl+CF3COOH"	148.962264
"1376769"	357.187224	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H-2H2O"	-35.012676
"1389890"	375.1972	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H-H2O"	-17.0027
"293953"	785.407076	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+H"	1.007276
"685279"	1177.606976	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+H"	1.007276
"1363815"	393.207176	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H"	1.007276
"133422"	393.207176	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+2H"	2.014552
"576267"	589.307126	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+2H"	2.014552
"1047252"	197.107226	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2H"	2.014552
"212965"	262.473876	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+3H"	3.021828
"659463"	393.207176	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+3H"	3.021828
"1177594"	131.740576	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+3H"	3.021828
"439569"	802.433623	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+NH4"	18.033823
"800889"	1194.633523	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+NH4"	18.033823
"1696365"	410.233723	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+NH4"	18.033823
"344890"	401.7204495	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+H+NH4"	19.041099
"737684"	597.8203995	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+H+NH4"	19.041099
"1492511"	205.6204995	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H+NH4"	19.041099
"407873"	807.389018	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+Na"	22.989218
"769516"	1199.588918	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+Na"	22.989218
"1618055"	415.189118	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Na"	22.989218
"329548"	404.198147	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+H+Na"	23.996494
"721977"	600.298097	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+H+Na"	23.996494
"1475538"	208.098197	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H+Na"	23.996494
"1066716"	139.06789	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2H+Na"	25.00377
"1268027"	425.233386	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+CH3OH+H"	33.033486
"384414"	823.362958	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+K"	38.963158
"743220"	1215.562858	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+K"	38.963158
"1545271"	431.163058	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+K"	38.963158
"313768"	412.185117	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+H+K"	39.970434
"698165"	608.285067	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+H+K"	39.970434
"1453079"	216.085167	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H+K"	39.970434
"239857"	826.433626	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+ACN+H"	42.033826
"1217669"	434.233726	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+ACN+H"	42.033826
"1198272"	217.620501	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+ACN+2H"	43.041102
"196612"	829.37096	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+2Na-H"	44.97116
"635078"	1221.57086	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+2Na-H"	44.97116
"1140770"	437.17106	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2Na-H"	44.97116
"174220"	415.189118	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+2Na"	45.978436
"618154"	611.289068	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+2Na"	45.978436
"1115987"	219.089168	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2Na"	45.978436
"1400811"	146.395204	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H+2Na"	46.985712
"1430005"	439.212646	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H+HCOOH"	47.012746
"228093"	420.22214	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+3H2O+2H"	56.04448
"1518346"	453.26469	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+IsoProp+H"	61.06479
"419125"	423.176088	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+Na+K"	61.952376
"775747"	619.276038	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+Na+K"	61.952376
"1677551"	227.076138	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Na+K"	61.952376
"258602"	848.415568	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+ACN+Na"	64.015768
"1237874"	456.215668	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+ACN+Na"	64.015768
"1723479"	456.239193	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+NH4+HCOOH"	64.039293
"1191391"	153.722518	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+3Na"	68.967654
"1660920"	461.194588	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Na+HCOOH"	68.994688
"169238"	861.31884	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+2K-H"	76.91904
"605886"	1253.51874	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+2K-H"	76.91904
"1089303"	469.11894	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2K-H"	76.91904
"146483"	431.163058	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"2M+2K"	77.926316
"591513"	627.263008	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"3M+2K"	77.926316
"1074931"	235.063108	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2K"	77.926316
"1107045"	471.133492	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2K+H"	78.933592
"1336869"	471.221107	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+DMSO+H"	79.021207
"1011959"	475.260276	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2ACN+H"	83.060376
"1528990"	476.253908	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+IsoProp+Na+H"	84.054008
"997623"	238.133776	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+2ACN+2H"	84.067652
"1593222"	477.168528	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+K+HCOOH"	84.968628
"1421070"	507.200038	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+H+CF3COOH"	115.000138
"1155733"	258.647051	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+3ACN+2H"	125.094202
"1699816"	524.226585	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+NH4+CF3COOH"	132.026685
"1637654"	529.18198	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+Na+CF3COOH"	136.98208
"1585333"	545.15592	"C15643"	"Dexamethasone"	"C22H29FO5"	"392.1999"	"M+K+CF3COOH"	152.95602
"815700"	378.2195	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M"	0
"982674"	359.20111	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-H2O-H"	-19.01839
"69822"	251.139057333333	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M-3H"	-3.021828
"509387"	377.212224	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M-3H"	-3.021828
"890470"	125.065890666667	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-3H"	-3.021828
"12326"	377.212224	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M-2H"	-2.014552
"446420"	566.321974	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M-2H"	-2.014552
"830417"	188.102474	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-2H"	-2.014552
"90778"	755.431724	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M-H"	-1.007276
"532396"	1133.651224	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M-H"	-1.007276
"900477"	377.212224	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-H"	-1.007276
"52666"	772.458271	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M-2H+NH4"	16.019271
"494414"	1150.677771	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M-2H+NH4"	16.019271
"874403"	394.238771	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-2H+NH4"	16.019271
"34040"	777.413666	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M-2H+Na"	20.974666
"480770"	1155.633166	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M-2H+Na"	20.974666
"852011"	399.194166	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-2H+Na"	20.974666
"1620449"	399.194166	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Na-2H"	20.974666
"105735"	395.200563	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M-H+Cl"	33.962126
"545295"	584.310313	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M-H+Cl"	33.962126
"935529"	206.090813	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-H+Cl"	33.962126
"267764"	791.408402	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+Cl"	34.969402
"661044"	1169.627902	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+Cl"	34.969402
"1276002"	413.188902	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Cl"	34.969402
"29861"	793.387606	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M-2H+K"	36.948606
"470887"	1171.607106	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M-2H+K"	36.948606
"847228"	415.168106	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-2H+K"	36.948606
"1569621"	415.168106	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+K-2H"	36.948606
"955682"	423.217694	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-H+HCOOH"	44.998194
"374627"	801.437201	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+HCOOH-H"	44.998201
"359241"	815.452851	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+Hac-H"	59.013851
"1504065"	437.233351	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Hac-H"	59.013851
"966504"	445.199651	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-H+NaCOOH"	66.980151
"111398"	413.188902	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+2Cl"	69.938804
"551324"	602.298652	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+2Cl"	69.938804
"1021706"	224.079152	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2Cl"	69.938804
"1242618"	457.138385	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Br"	78.918885
"1306528"	459.194372	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Cl+HCOOH"	80.974872
"1323296"	481.176329	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Cl+NaCOOH"	102.956829
"919820"	491.205086	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M-H+CF3COOH"	112.985586
"1297622"	527.181764	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Cl+CF3COOH"	148.962264
"1373599"	343.206824	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H-2H2O"	-35.012676
"1393280"	361.2168	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H-H2O"	-17.0027
"296249"	757.446276	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+H"	1.007276
"686482"	1135.665776	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+H"	1.007276
"1362831"	379.226776	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H"	1.007276
"133532"	379.226776	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+2H"	2.014552
"576376"	568.336526	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+2H"	2.014552
"1046268"	190.117026	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2H"	2.014552
"209794"	253.153609333333	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+3H"	3.021828
"659902"	379.226776	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+3H"	3.021828
"1178066"	127.080442666667	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+3H"	3.021828
"439884"	774.472823	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+NH4"	18.033823
"801229"	1152.692323	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+NH4"	18.033823
"1696605"	396.253323	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+NH4"	18.033823
"345241"	387.7400495	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+H+NH4"	19.041099
"736803"	576.8497995	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+H+NH4"	19.041099
"1492691"	198.6302995	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H+NH4"	19.041099
"408498"	779.428218	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+Na"	22.989218
"769704"	1157.647718	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+Na"	22.989218
"1618115"	401.208718	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Na"	22.989218
"329771"	390.217747	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+H+Na"	23.996494
"722072"	579.327497	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+H+Na"	23.996494
"1476863"	201.107997	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H+Na"	23.996494
"1068476"	134.407756666667	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2H+Na"	25.00377
"1270323"	411.252986	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+CH3OH+H"	33.033486
"387804"	795.402158	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+K"	38.963158
"744424"	1173.621658	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+K"	38.963158
"1546475"	417.182658	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+K"	38.963158
"313875"	398.204717	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+H+K"	39.970434
"698272"	587.314467	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+H+K"	39.970434
"1450998"	209.094967	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H+K"	39.970434
"239601"	798.472826	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+ACN+H"	42.033826
"1213403"	420.253326	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+ACN+H"	42.033826
"1196194"	210.630301	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+ACN+2H"	43.041102
"195629"	801.41016	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+2Na-H"	44.97116
"631907"	1179.62966	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+2Na-H"	44.97116
"1135412"	423.19066	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2Na-H"	44.97116
"177610"	401.208718	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+2Na"	45.978436
"618264"	590.318468	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+2Na"	45.978436
"1116666"	212.098968	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2Na"	45.978436
"1404202"	141.735070666667	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H+2Na"	46.985712
"1431213"	425.232246	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H+HCOOH"	47.012746
"227108"	406.24174	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+3H2O+2H"	56.04448
"1519550"	439.28429	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+IsoProp+H"	61.06479
"421058"	409.195688	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+Na+K"	61.952376
"782054"	598.305438	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+Na+K"	61.952376
"1672194"	220.085938	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Na+K"	61.952376
"259807"	820.454768	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+ACN+Na"	64.015768
"1236891"	442.235268	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+ACN+Na"	64.015768
"1724683"	442.258793	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+NH4+HCOOH"	64.039293
"1190042"	149.062384666667	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+3Na"	68.967654
"1661029"	447.214188	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Na+HCOOH"	68.994688
"167890"	833.35804	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+2K-H"	76.91904
"604903"	1211.57754	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+2K-H"	76.91904
"1084430"	455.13854	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2K-H"	76.91904
"143313"	417.182658	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"2M+2K"	77.926316
"587249"	606.292408	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"3M+2K"	77.926316
"1070668"	228.072908	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2K"	77.926316
"1103874"	457.153092	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2K+H"	78.933592
"1342445"	457.240707	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+DMSO+H"	79.021207
"1007935"	461.279876	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2ACN+H"	83.060376
"1528006"	462.273508	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+IsoProp+Na+H"	84.054008
"994453"	231.143576	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+2ACN+2H"	84.067652
"1590052"	463.188128	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+K+HCOOH"	84.968628
"1422273"	493.219638	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+H+CF3COOH"	115.000138
"1155843"	251.656851	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+3ACN+2H"	125.094202
"1697860"	510.246185	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+NH4+CF3COOH"	132.026685
"1637764"	515.20158	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+Na+CF3COOH"	136.98208
"1585443"	531.17552	"C15644"	"GW 0791"	"C25H30O3"	"378.2195"	"M+K+CF3COOH"	152.95602
"814724"	407.8134	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M"	0
"987162"	388.79501	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-H2O-H"	-19.01839
"68846"	270.868324	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M-3H"	-3.021828
"508405"	406.806124	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M-3H"	-3.021828
"893861"	134.930524	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-3H"	-3.021828
"8063"	406.806124	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M-2H"	-2.014552
"454183"	610.712824	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M-2H"	-2.014552
"823238"	202.899424	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-2H"	-2.014552
"90882"	814.619524	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M-H"	-1.007276
"528259"	1222.432924	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M-H"	-1.007276
"903876"	406.806124	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-H"	-1.007276
"56064"	831.646071	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M-2H+NH4"	16.019271
"498904"	1239.459471	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M-2H+NH4"	16.019271
"876708"	423.832671	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-2H+NH4"	16.019271
"43512"	836.601466	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M-2H+Na"	20.974666
"472624"	1244.414866	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M-2H+Na"	20.974666
"850547"	428.788066	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-2H+Na"	20.974666
"1622756"	428.788066	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Na-2H"	20.974666
"100386"	424.794463	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M-H+Cl"	33.962126
"534835"	628.701163	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M-H+Cl"	33.962126
"930179"	220.887763	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-H+Cl"	33.962126
"275299"	850.596202	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+Cl"	34.969402
"662981"	1258.409602	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+Cl"	34.969402
"1281218"	442.782802	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Cl"	34.969402
"27055"	852.575406	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M-2H+K"	36.948606
"470755"	1260.388806	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M-2H+K"	36.948606
"848283"	444.762006	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-2H+K"	36.948606
"1567545"	444.762006	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+K-2H"	36.948606
"952518"	452.811594	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-H+HCOOH"	44.998194
"372919"	860.625001	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+HCOOH-H"	44.998201
"358985"	874.640651	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+Hac-H"	59.013851
"1501260"	466.827251	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Hac-H"	59.013851
"958957"	474.793551	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-H+NaCOOH"	66.980151
"113334"	442.782802	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+2Cl"	69.938804
"550947"	646.689502	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+2Cl"	69.938804
"1022177"	238.876102	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2Cl"	69.938804
"1241758"	486.732285	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Br"	78.918885
"1305910"	488.788272	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Cl+HCOOH"	80.974872
"1327779"	510.770229	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Cl+NaCOOH"	102.956829
"914464"	520.798986	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M-H+CF3COOH"	112.985586
"1294453"	556.775664	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Cl+CF3COOH"	148.962264
"1370061"	372.800724	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H-2H2O"	-35.012676
"1393391"	390.8107	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H-H2O"	-17.0027
"295265"	816.634076	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+H"	1.007276
"686593"	1224.447476	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+H"	1.007276
"1362945"	408.820676	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H"	1.007276
"141186"	408.820676	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+2H"	2.014552
"580743"	612.727376	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+2H"	2.014552
"1050760"	204.913976	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2H"	2.014552
"219270"	272.882876	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+3H"	3.021828
"658831"	408.820676	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+3H"	3.021828
"1177075"	136.945076	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+3H"	3.021828
"438529"	833.660623	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+NH4"	18.033823
"800495"	1241.474023	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+NH4"	18.033823
"1696891"	425.847223	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+NH4"	18.033823
"344496"	417.3339495	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+H+NH4"	19.041099
"738364"	621.2406495	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+H+NH4"	19.041099
"1491953"	213.4272495	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H+NH4"	19.041099
"407960"	838.616018	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+Na"	22.989218
"769797"	1246.429418	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+Na"	22.989218
"1617904"	430.802618	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Na"	22.989218
"329598"	419.811647	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+H+Na"	23.996494
"722099"	623.718347	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+H+Na"	23.996494
"1476161"	215.904947	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H+Na"	23.996494
"1067541"	144.27239	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2H+Na"	25.00377
"1268246"	440.846886	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+CH3OH+H"	33.033486
"384648"	854.589958	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+K"	38.963158
"741267"	1262.403358	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+K"	38.963158
"1541496"	446.776558	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+K"	38.963158
"301590"	427.798617	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+H+K"	39.970434
"692917"	631.705317	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+H+K"	39.970434
"1448196"	223.891917	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H+K"	39.970434
"239717"	857.660626	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+ACN+H"	42.033826
"1214613"	449.847226	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+ACN+H"	42.033826
"1198499"	225.427251	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+ACN+2H"	43.041102
"193555"	860.59796	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+2Na-H"	44.97116
"634210"	1268.41136	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+2Na-H"	44.97116
"1136622"	452.78456	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2Na-H"	44.97116
"179912"	430.802618	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+2Na"	45.978436
"619472"	634.709318	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+2Na"	45.978436
"1122617"	226.895918	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2Na"	45.978436
"1406508"	151.599704	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H+2Na"	46.985712
"1439720"	454.826146	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H+HCOOH"	47.012746
"228319"	435.83564	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+3H2O+2H"	56.04448
"1518575"	468.87819	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+IsoProp+H"	61.06479
"421542"	438.789588	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+Na+K"	61.952376
"781448"	642.696288	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+Na+K"	61.952376
"1679236"	234.882888	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Na+K"	61.952376
"263203"	879.642568	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+ACN+Na"	64.015768
"1237005"	471.829168	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+ACN+Na"	64.015768
"1722614"	471.852693	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+NH4+HCOOH"	64.039293
"1183227"	158.927018	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+3Na"	68.967654
"1652756"	476.808088	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Na+HCOOH"	68.994688
"161804"	892.54584	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+2K-H"	76.91904
"599177"	1300.35924	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+2K-H"	76.91904
"1089158"	484.73244	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2K-H"	76.91904
"142086"	446.776558	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"2M+2K"	77.926316
"584078"	650.683258	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"3M+2K"	77.926316
"1070777"	242.869858	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2K"	77.926316
"1100945"	486.746992	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2K+H"	78.933592
"1338185"	486.834607	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+DMSO+H"	79.021207
"1006341"	490.873776	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2ACN+H"	83.060376
"1524833"	491.867408	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+IsoProp+Na+H"	84.054008
"990549"	245.940526	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+2ACN+2H"	84.067652
"1589071"	492.782028	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+K+HCOOH"	84.968628
"1416917"	522.813538	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+H+CF3COOH"	115.000138
"1149394"	266.453801	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+3ACN+2H"	125.094202
"1703319"	539.840085	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+NH4+CF3COOH"	132.026685
"1637877"	544.79548	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+Na+CF3COOH"	136.98208
"1575714"	560.76942	"C15648"	"Octachlorocamphene"	"C10H8Cl8"	"407.8134"	"M+K+CF3COOH"	152.95602
"815928"	496.2726	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M"	0
"989098"	477.25421	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-H2O-H"	-19.01839
"75516"	329.841124	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M-3H"	-3.021828
"509609"	495.265324	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M-3H"	-3.021828
"895269"	164.416924	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-3H"	-3.021828
"14733"	495.265324	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M-2H"	-2.014552
"454660"	743.401624	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M-2H"	-2.014552
"826628"	247.129024	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-2H"	-2.014552
"90992"	991.537924	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M-H"	-1.007276
"531648"	1487.810524	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M-H"	-1.007276
"905081"	495.265324	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-H"	-1.007276
"57267"	1008.564471	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M-2H+NH4"	16.019271
"499014"	1504.837071	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M-2H+NH4"	16.019271
"878518"	512.291871	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-2H+NH4"	16.019271
"44715"	1013.519866	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M-2H+Na"	20.974666
"472491"	1509.792466	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M-2H+Na"	20.974666
"850293"	517.247266	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-2H+Na"	20.974666
"1622866"	517.247266	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Na-2H"	20.974666
"94896"	513.253663	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M-H+Cl"	33.962126
"534946"	761.389963	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M-H+Cl"	33.962126
"932477"	265.117363	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-H+Cl"	33.962126
"275409"	1027.514602	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+Cl"	34.969402
"663819"	1523.787202	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+Cl"	34.969402
"1282421"	531.242002	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Cl"	34.969402
"28259"	1029.493806	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M-2H+K"	36.948606
"470743"	1525.766406	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M-2H+K"	36.948606
"847733"	533.221206	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-2H+K"	36.948606
"1570171"	533.221206	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+K-2H"	36.948606
"954815"	541.270794	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-H+HCOOH"	44.998194
"374123"	1037.543401	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+HCOOH-H"	44.998201
"360067"	1051.559051	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+Hac-H"	59.013851
"1503558"	555.286451	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Hac-H"	59.013851
"965632"	563.252751	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-H+NaCOOH"	66.980151
"116725"	531.242002	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+2Cl"	69.938804
"550938"	779.378302	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+2Cl"	69.938804
"1023017"	283.105702	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2Cl"	69.938804
"1244664"	575.191485	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Br"	78.918885
"1310394"	577.247472	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Cl+HCOOH"	80.974872
"1331169"	599.229429	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Cl+NaCOOH"	102.956829
"920041"	609.258186	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M-H+CF3COOH"	112.985586
"1297843"	645.234864	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Cl+CF3COOH"	148.962264
"1377097"	461.259924	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H-2H2O"	-35.012676
"1395688"	479.2699	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H-H2O"	-17.0027
"295376"	993.552476	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+H"	1.007276
"686703"	1489.825076	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+H"	1.007276
"1363055"	497.279876	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H"	1.007276
"141103"	497.279876	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+2H"	2.014552
"580901"	745.416176	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+2H"	2.014552
"1051967"	249.143576	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2H"	2.014552
"219222"	331.855676	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+3H"	3.021828
"659551"	497.279876	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+3H"	3.021828
"1177552"	166.431476	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+3H"	3.021828
"439330"	1010.579023	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+NH4"	18.033823
"801260"	1506.851623	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+NH4"	18.033823
"1696694"	514.306423	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+NH4"	18.033823
"345580"	505.7931495	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+H+NH4"	19.041099
"738372"	753.9294495	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+H+NH4"	19.041099
"1492461"	257.6568495	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H+NH4"	19.041099
"408360"	1015.534418	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+Na"	22.989218
"769598"	1511.807018	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+Na"	22.989218
"1618222"	519.261818	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Na"	22.989218
"329634"	508.270847	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+H+Na"	23.996494
"720709"	756.407147	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+H+Na"	23.996494
"1476842"	260.134547	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H+Na"	23.996494
"1066558"	173.75879	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2H+Na"	25.00377
"1268356"	529.306086	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+CH3OH+H"	33.033486
"385852"	1031.508358	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+K"	38.963158
"741377"	1527.780958	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+K"	38.963158
"1544524"	535.235758	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+K"	38.963158
"301700"	516.257817	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+H+K"	39.970434
"693028"	764.394117	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+H+K"	39.970434
"1447942"	268.121517	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H+K"	39.970434
"238732"	1034.579026	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+ACN+H"	42.033826
"1212899"	538.306426	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+ACN+H"	42.033826
"1200796"	269.656851	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+ACN+2H"	43.041102
"192570"	1037.51636	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+2Na-H"	44.97116
"636507"	1533.78896	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+2Na-H"	44.97116
"1137825"	541.24376	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2Na-H"	44.97116
"182209"	519.261818	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+2Na"	45.978436
"619946"	767.398118	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+2Na"	45.978436
"1126373"	271.125518	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2Na"	45.978436
"1404426"	181.086104	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H+2Na"	46.985712
"1440920"	543.285346	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H+HCOOH"	47.012746
"227334"	524.29484	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+3H2O+2H"	56.04448
"1518685"	557.33739	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+IsoProp+H"	61.06479
"418371"	527.248788	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+Na+K"	61.952376
"782648"	775.385088	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+Na+K"	61.952376
"1676791"	279.112488	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Na+K"	61.952376
"265138"	1056.560968	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+ACN+Na"	64.015768
"1236025"	560.288368	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+ACN+Na"	64.015768
"1723813"	560.311893	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+NH4+HCOOH"	64.039293
"1186254"	188.413418	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+3Na"	68.967654
"1652865"	565.267288	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Na+HCOOH"	68.994688
"163736"	1069.46424	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+2K-H"	76.91904
"598190"	1565.73684	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+2K-H"	76.91904
"1091091"	573.19164	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2K-H"	76.91904
"143534"	535.235758	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"2M+2K"	77.926316
"584188"	783.372058	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"3M+2K"	77.926316
"1069427"	287.099458	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2K"	77.926316
"1100930"	575.206192	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2K+H"	78.933592
"1339388"	575.293807	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+DMSO+H"	79.021207
"1006940"	579.332976	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2ACN+H"	83.060376
"1525552"	580.326608	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+IsoProp+Na+H"	84.054008
"990782"	290.170126	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+2ACN+2H"	84.067652
"1595742"	581.241228	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+K+HCOOH"	84.968628
"1420308"	611.272738	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+H+CF3COOH"	115.000138
"1150597"	310.683401	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+3ACN+2H"	125.094202
"1706709"	628.299285	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+NH4+CF3COOH"	132.026685
"1641267"	633.25468	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+Na+CF3COOH"	136.98208
"1575824"	649.22862	"C15649"	"Fexaramine"	"C32H36N2O3"	"496.2726"	"M+K+CF3COOH"	152.95602
"816406"	242.0014	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M"	0
"987385"	222.98301	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H2O-H"	-19.01839
"77086"	160.326990666667	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-3H"	-3.021828
"517011"	240.994124	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-3H"	-3.021828
"890803"	79.6598573333333	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-3H"	-3.021828
"11564"	240.994124	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H"	-2.014552
"454040"	361.994824	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H"	-2.014552
"828927"	119.993424	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H"	-2.014552
"87829"	482.995524	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-H"	-1.007276
"529572"	724.996924	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-H"	-1.007276
"905191"	240.994124	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H"	-1.007276
"56283"	500.022071	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H+NH4"	16.019271
"498031"	742.023471	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H+NH4"	16.019271
"874739"	258.020671	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H+NH4"	16.019271
"39357"	504.977466	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H+Na"	20.974666
"471707"	746.978866	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H+Na"	20.974666
"852351"	262.976066	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H+Na"	20.974666
"1625165"	262.976066	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na-2H"	20.974666
"94763"	258.982463	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-H+Cl"	33.962126
"545636"	379.983163	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-H+Cl"	33.962126
"941338"	137.981763	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+Cl"	33.962126
"280987"	518.972202	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Cl"	34.969402
"674871"	760.973602	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+Cl"	34.969402
"1287641"	276.970802	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl"	34.969402
"30436"	520.951406	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H+K"	36.948606
"470974"	762.952806	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H+K"	36.948606
"843545"	278.950006	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H+K"	36.948606
"1570198"	278.950006	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K-2H"	36.948606
"957762"	286.999594	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+HCOOH"	44.998194
"374233"	529.001001	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+HCOOH-H"	44.998201
"354835"	543.016651	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Hac-H"	59.013851
"1503667"	301.015251	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Hac-H"	59.013851
"963555"	308.981551	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+NaCOOH"	66.980151
"111368"	276.970802	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2Cl"	69.938804
"552020"	397.971502	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2Cl"	69.938804
"1023129"	155.970102	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2Cl"	69.938804
"1241491"	320.920285	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Br"	78.918885
"1304196"	322.976272	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl+HCOOH"	80.974872
"1327999"	344.958229	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl+NaCOOH"	102.956829
"923068"	354.986986	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+CF3COOH"	112.985586
"1291393"	390.963664	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl+CF3COOH"	148.962264
"1373929"	206.988724	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H-2H2O"	-35.012676
"1392519"	224.9987	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H-H2O"	-17.0027
"295485"	485.010076	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H"	1.007276
"686812"	727.011476	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H"	1.007276
"1363165"	243.008676	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H"	1.007276
"141401"	243.008676	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2H"	2.014552
"577437"	364.009376	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2H"	2.014552
"1052769"	122.007976	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2H"	2.014552
"219957"	162.341542666667	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+3H"	3.021828
"659941"	243.008676	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+3H"	3.021828
"1176202"	81.6744093333333	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+3H"	3.021828
"439677"	502.036623	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+NH4"	18.033823
"799740"	744.038023	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+NH4"	18.033823
"1696849"	260.035223	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+NH4"	18.033823
"345531"	251.5219495	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H+NH4"	19.041099
"737745"	372.5226495	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H+NH4"	19.041099
"1492721"	130.5212495	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+NH4"	19.041099
"408468"	506.992018	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Na"	22.989218
"769794"	748.993418	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+Na"	22.989218
"1618412"	264.990618	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na"	22.989218
"329935"	253.999647	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H+Na"	23.996494
"721669"	375.000347	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H+Na"	23.996494
"1476218"	132.998947	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+Na"	23.996494
"1066304"	89.0017233333333	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2H+Na"	25.00377
"1267372"	275.034886	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+CH3OH+H"	33.033486
"389243"	522.965958	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+K"	38.963158
"740762"	764.967358	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+K"	38.963158
"1543544"	280.964558	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K"	38.963158
"300717"	261.986617	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H+K"	39.970434
"694233"	382.987317	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H+K"	39.970434
"1448051"	140.985917	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+K"	39.970434
"243219"	526.036626	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+ACN+H"	42.033826
"1214834"	284.035226	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+ACN+H"	42.033826
"1200906"	142.521251	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+ACN+2H"	43.041102
"197059"	528.97396	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2Na-H"	44.97116
"638806"	770.97536	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2Na-H"	44.97116
"1139030"	286.97256	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2Na-H"	44.97116
"182321"	264.990618	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2Na"	45.978436
"620059"	385.991318	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2Na"	45.978436
"1128671"	143.989918	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2Na"	45.978436
"1411467"	96.3290373333333	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+2Na"	46.985712
"1441763"	289.014146	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+HCOOH"	47.012746
"232185"	270.02364	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+3H2O+2H"	56.04448
"1517702"	303.06619	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+IsoProp+H"	61.06479
"418482"	272.977588	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Na+K"	61.952376
"784945"	393.978288	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+Na+K"	61.952376
"1679089"	151.976888	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na+K"	61.952376
"264516"	548.018568	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+ACN+Na"	64.015768
"1240143"	306.017168	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+ACN+Na"	64.015768
"1722834"	306.040693	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+NH4+HCOOH"	64.039293
"1184178"	103.656351333333	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+3Na"	68.967654
"1655892"	310.996088	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na+HCOOH"	68.994688
"162024"	560.92184	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2K-H"	76.91904
"603410"	802.92324	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2K-H"	76.91904
"1086827"	318.92044	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2K-H"	76.91904
"146925"	280.964558	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2K"	77.926316
"587578"	401.965258	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2K"	77.926316
"1069172"	159.963858	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2K"	77.926316
"1100922"	320.934992	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2K+H"	78.933592
"1338402"	321.022607	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+DMSO+H"	79.021207
"1006324"	325.061776	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2ACN+H"	83.060376
"1524571"	326.055408	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+IsoProp+Na+H"	84.054008
"991019"	163.034526	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2ACN+2H"	84.067652
"1589289"	326.970028	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K+HCOOH"	84.968628
"1423700"	357.001538	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+CF3COOH"	115.000138
"1150708"	183.547801	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+3ACN+2H"	125.094202
"1700259"	374.028085	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+NH4+CF3COOH"	132.026685
"1644658"	378.98348	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na+CF3COOH"	136.98208
"1575935"	394.95742	"C15650"	"23-Diketo-5-methylthiopentyl-1-phosphate;5-(Methylthio)-23-dioxopentyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K+CF3COOH"	152.95602
"815055"	242.0014	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M"	0
"988951"	222.98301	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H2O-H"	-19.01839
"74643"	160.326990666667	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-3H"	-3.021828
"515296"	240.994124	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-3H"	-3.021828
"893098"	79.6598573333333	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-3H"	-3.021828
"8394"	240.994124	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H"	-2.014552
"450142"	361.994824	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H"	-2.014552
"827944"	119.993424	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H"	-2.014552
"87939"	482.995524	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-H"	-1.007276
"527496"	724.996924	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-H"	-1.007276
"904206"	240.994124	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H"	-1.007276
"53114"	500.022071	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H+NH4"	16.019271
"495954"	742.023471	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H+NH4"	16.019271
"874849"	258.020671	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H+NH4"	16.019271
"43114"	504.977466	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H+Na"	20.974666
"471739"	746.978866	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H+Na"	20.974666
"850274"	262.976066	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H+Na"	20.974666
"1619807"	262.976066	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na-2H"	20.974666
"94503"	258.982463	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-H+Cl"	33.962126
"534255"	379.983163	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-H+Cl"	33.962126
"929414"	137.981763	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+Cl"	33.962126
"280004"	518.972202	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Cl"	34.969402
"671335"	760.973602	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+Cl"	34.969402
"1282642"	276.970802	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl"	34.969402
"29574"	520.951406	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M-2H+K"	36.948606
"470353"	762.952806	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M-2H+K"	36.948606
"843655"	278.950006	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-2H+K"	36.948606
"1569944"	278.950006	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K-2H"	36.948606
"956129"	286.999594	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+HCOOH"	44.998194
"374343"	529.001001	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+HCOOH-H"	44.998201
"354946"	543.016651	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Hac-H"	59.013851
"1502683"	301.015251	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Hac-H"	59.013851
"964758"	308.981551	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+NaCOOH"	66.980151
"111478"	276.970802	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2Cl"	69.938804
"551402"	397.971502	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2Cl"	69.938804
"1021617"	155.970102	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2Cl"	69.938804
"1241965"	320.920285	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Br"	78.918885
"1304457"	322.976272	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl+HCOOH"	80.974872
"1328109"	344.958229	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl+NaCOOH"	102.956829
"920262"	354.986986	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M-H+CF3COOH"	112.985586
"1294783"	390.963664	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Cl+CF3COOH"	148.962264
"1371852"	206.988724	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H-2H2O"	-35.012676
"1390442"	224.9987	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H-H2O"	-17.0027
"293408"	485.010076	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H"	1.007276
"686922"	727.011476	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H"	1.007276
"1364004"	243.008676	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H"	1.007276
"140668"	243.008676	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2H"	2.014552
"575725"	364.009376	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2H"	2.014552
"1052592"	122.007976	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2H"	2.014552
"219602"	162.341542666667	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+3H"	3.021828
"659487"	243.008676	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+3H"	3.021828
"1176312"	81.6744093333333	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+3H"	3.021828
"437397"	502.036623	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+NH4"	18.033823
"801193"	744.038023	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+NH4"	18.033823
"1696507"	260.035223	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+NH4"	18.033823
"345437"	251.5219495	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H+NH4"	19.041099
"736516"	372.5226495	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H+NH4"	19.041099
"1490702"	130.5212495	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+NH4"	19.041099
"407806"	506.992018	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Na"	22.989218
"769045"	748.993418	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+Na"	22.989218
"1617992"	264.990618	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na"	22.989218
"328758"	253.999647	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H+Na"	23.996494
"720808"	375.000347	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H+Na"	23.996494
"1476454"	132.998947	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+Na"	23.996494
"1066778"	89.0017233333333	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2H+Na"	25.00377
"1268576"	275.034886	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+CH3OH+H"	33.033486
"386072"	522.965958	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+K"	38.963158
"741601"	764.967358	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+K"	38.963158
"1543654"	280.964558	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K"	38.963158
"298837"	261.986617	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+H+K"	39.970434
"693250"	382.987317	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+H+K"	39.970434
"1447069"	140.985917	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+K"	39.970434
"241143"	526.036626	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+ACN+H"	42.033826
"1210689"	284.035226	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+ACN+H"	42.033826
"1196640"	142.521251	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+ACN+2H"	43.041102
"196076"	528.97396	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2Na-H"	44.97116
"637823"	770.97536	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2Na-H"	44.97116
"1135495"	286.97256	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2Na-H"	44.97116
"181338"	264.990618	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2Na"	45.978436
"618712"	385.991318	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2Na"	45.978436
"1127688"	143.989918	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2Na"	45.978436
"1411212"	96.3290373333333	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+2Na"	46.985712
"1435672"	289.014146	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+HCOOH"	47.012746
"224274"	270.02364	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+3H2O+2H"	56.04448
"1512700"	303.06619	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+IsoProp+H"	61.06479
"418585"	272.977588	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+Na+K"	61.952376
"773019"	393.978288	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+Na+K"	61.952376
"1679199"	151.976888	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na+K"	61.952376
"264262"	548.018568	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+ACN+Na"	64.015768
"1235151"	306.017168	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+ACN+Na"	64.015768
"1724035"	306.040693	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+NH4+HCOOH"	64.039293
"1181006"	103.656351333333	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+3Na"	68.967654
"1659280"	310.996088	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na+HCOOH"	68.994688
"160675"	560.92184	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2K-H"	76.91904
"597679"	802.92324	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2K-H"	76.91904
"1087299"	318.92044	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2K-H"	76.91904
"142899"	280.964558	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"2M+2K"	77.926316
"581607"	401.965258	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"3M+2K"	77.926316
"1073294"	159.963858	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2K"	77.926316
"1100125"	320.934992	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2K+H"	78.933592
"1336081"	321.022607	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+DMSO+H"	79.021207
"1007166"	325.061776	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2ACN+H"	83.060376
"1524300"	326.055408	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+IsoProp+Na+H"	84.054008
"990278"	163.034526	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+2ACN+2H"	84.067652
"1588308"	326.970028	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K+HCOOH"	84.968628
"1422717"	357.001538	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+H+CF3COOH"	115.000138
"1150818"	183.547801	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+3ACN+2H"	125.094202
"1699275"	374.028085	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+NH4+CF3COOH"	132.026685
"1644768"	378.98348	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+Na+CF3COOH"	136.98208
"1576045"	394.95742	"C15651"	"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate;2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate"	"C6H11O6PS"	"242.0014"	"M+K+CF3COOH"	152.95602
"815165"	614.3123	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M"	0
"989538"	595.29391	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-H2O-H"	-19.01839
"75846"	408.534257333333	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M-3H"	-3.021828
"516499"	613.305024	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M-3H"	-3.021828
"894911"	203.763490666667	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-3H"	-3.021828
"10691"	613.305024	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M-2H"	-2.014552
"451345"	920.461174	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M-2H"	-2.014552
"828782"	306.148874	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-2H"	-2.014552
"89143"	1227.617324	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M-H"	-1.007276
"527606"	1841.929624	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M-H"	-1.007276
"904313"	613.305024	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-H"	-1.007276
"55410"	1244.643871	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M-2H+NH4"	16.019271
"499341"	1858.956171	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M-2H+NH4"	16.019271
"874957"	630.331571	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-2H+NH4"	16.019271
"41762"	1249.599266	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M-2H+Na"	20.974666
"472700"	1863.911566	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M-2H+Na"	20.974666
"850384"	635.286966	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-2H+Na"	20.974666
"1621010"	635.286966	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Na-2H"	20.974666
"94571"	631.293363	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M-H+Cl"	33.962126
"534583"	938.449513	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M-H+Cl"	33.962126
"928794"	324.137213	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-H+Cl"	33.962126
"267335"	1263.594002	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+Cl"	34.969402
"660369"	1877.906302	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+Cl"	34.969402
"1272896"	649.281702	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Cl"	34.969402
"16059"	1265.573206	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M-2H+K"	36.948606
"465964"	1879.885506	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M-2H+K"	36.948606
"841579"	651.260906	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-2H+K"	36.948606
"1567986"	651.260906	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+K-2H"	36.948606
"958308"	659.310494	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-H+HCOOH"	44.998194
"376641"	1273.622801	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+HCOOH-H"	44.998201
"357243"	1287.638451	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+Hac-H"	59.013851
"1506439"	673.326151	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Hac-H"	59.013851
"965962"	681.292451	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-H+NaCOOH"	66.980151
"111952"	649.281702	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+2Cl"	69.938804
"553336"	956.437852	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+2Cl"	69.938804
"1027602"	342.125552	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2Cl"	69.938804
"1243169"	693.231185	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Br"	78.918885
"1306344"	695.287172	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Cl+HCOOH"	80.974872
"1324939"	717.269129	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Cl+NaCOOH"	102.956829
"914905"	727.297886	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M-H+CF3COOH"	112.985586
"1294893"	763.274564	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Cl+CF3COOH"	148.962264
"1374149"	579.299624	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H-2H2O"	-35.012676
"1390552"	597.3096	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H-H2O"	-17.0027
"291331"	1229.631876	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+H"	1.007276
"684845"	1843.944176	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+H"	1.007276
"1366831"	615.319576	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H"	1.007276
"140287"	615.319576	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+2H"	2.014552
"580207"	922.475726	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+2H"	2.014552
"1052378"	308.163426	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2H"	2.014552
"219467"	410.548809333333	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+3H"	3.021828
"659272"	615.319576	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+3H"	3.021828
"1177875"	205.778042666667	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+3H"	3.021828
"439492"	1246.658423	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+NH4"	18.033823
"800325"	1860.970723	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+NH4"	18.033823
"1696629"	632.346123	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+NH4"	18.033823
"345225"	623.8328495	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+H+NH4"	19.041099
"737929"	930.9889995	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+H+NH4"	19.041099
"1492279"	316.6766995	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H+NH4"	19.041099
"407797"	1251.613818	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+Na"	22.989218
"769520"	1865.926118	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+Na"	22.989218
"1617495"	637.301518	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Na"	22.989218
"329437"	626.310547	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+H+Na"	23.996494
"722548"	933.466697	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+H+Na"	23.996494
"1476647"	319.154397	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H+Na"	23.996494
"1068151"	213.105356666667	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2H+Na"	25.00377
"1272551"	647.345786	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+CH3OH+H"	33.033486
"386182"	1267.587758	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+K"	38.963158
"742804"	1881.900058	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+K"	38.963158
"1541578"	653.275458	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+K"	38.963158
"299151"	634.297517	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+H+K"	39.970434
"692388"	941.453667	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+H+K"	39.970434
"1447179"	327.141367	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H+K"	39.970434
"242346"	1270.658426	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+ACN+H"	42.033826
"1209959"	656.346126	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+ACN+H"	42.033826
"1200032"	328.676701	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+ACN+2H"	43.041102
"196186"	1273.59576	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+2Na-H"	44.97116
"632830"	1887.90806	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+2Na-H"	44.97116
"1139252"	659.28346	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2Na-H"	44.97116
"176708"	637.301518	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+2Na"	45.978436
"618822"	944.457668	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+2Na"	45.978436
"1128891"	330.145368	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2Na"	45.978436
"1412417"	220.432670666667	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H+2Na"	46.985712
"1444530"	661.325046	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H+HCOOH"	47.012746
"229852"	642.33454	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+3H2O+2H"	56.04448
"1523869"	675.37709	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+IsoProp+H"	61.06479
"418695"	645.288488	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+Na+K"	61.952376
"784671"	952.444638	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+Na+K"	61.952376
"1674937"	338.132338	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Na+K"	61.952376
"260364"	1292.640368	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+ACN+Na"	64.015768
"1231252"	678.328068	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+ACN+Na"	64.015768
"1717221"	678.351593	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+NH4+HCOOH"	64.039293
"1181115"	227.759984666667	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+3Na"	68.967654
"1653194"	683.306988	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Na+HCOOH"	68.994688
"159326"	1305.54364	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+2K-H"	76.91904
"597911"	1919.85594	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+2K-H"	76.91904
"1086681"	691.23134	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2K-H"	76.91904
"143248"	653.275458	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"2M+2K"	77.926316
"584515"	960.431608	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"3M+2K"	77.926316
"1069630"	346.119308	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2K"	77.926316
"1100288"	693.245892	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2K+H"	78.933592
"1338623"	693.333507	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+DMSO+H"	79.021207
"1007517"	697.372676	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2ACN+H"	83.060376
"1526009"	698.366308	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+IsoProp+Na+H"	84.054008
"990753"	349.189976	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+2ACN+2H"	84.067652
"1588782"	699.280928	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+K+HCOOH"	84.968628
"1420641"	729.312438	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+H+CF3COOH"	115.000138
"1150563"	369.703251	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+3ACN+2H"	125.094202
"1700479"	746.338985	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+NH4+CF3COOH"	132.026685
"1644878"	751.29438	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+Na+CF3COOH"	136.98208
"1579435"	767.26832	"C15652"	"Neomycin C"	"C23H46N6O13"	"614.3123"	"M+K+CF3COOH"	152.95602
"816722"	595.3006	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M"	0
"989786"	576.28221	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-H2O-H"	-19.01839
"75956"	395.859790666667	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M-3H"	-3.021828
"516614"	594.293324	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M-3H"	-3.021828
"894415"	197.426257333333	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-3H"	-3.021828
"12988"	594.293324	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M-2H"	-2.014552
"453280"	891.943624	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M-2H"	-2.014552
"830351"	296.643024	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-2H"	-2.014552
"91440"	1189.593924	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M-H"	-1.007276
"528812"	1784.894524	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M-H"	-1.007276
"907340"	594.293324	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-H"	-1.007276
"59889"	1206.620471	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M-2H+NH4"	16.019271
"497264"	1801.921071	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M-2H+NH4"	16.019271
"877255"	611.319871	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-2H+NH4"	16.019271
"42965"	1211.575866	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M-2H+Na"	20.974666
"471788"	1806.876466	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M-2H+Na"	20.974666
"849758"	616.275266	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-2H+Na"	20.974666
"1624403"	616.275266	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Na-2H"	20.974666
"96194"	612.281663	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M-H+Cl"	33.962126
"536115"	909.931963	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M-H+Cl"	33.962126
"928903"	314.631363	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-H+Cl"	33.962126
"267489"	1225.570602	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+Cl"	34.969402
"663529"	1820.871202	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+Cl"	34.969402
"1276661"	630.270002	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Cl"	34.969402
"17271"	1227.549806	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M-2H+K"	36.948606
"468264"	1822.850406	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M-2H+K"	36.948606
"844246"	632.249206	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-2H+K"	36.948606
"1567368"	632.249206	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+K-2H"	36.948606
"957077"	640.298794	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-H+HCOOH"	44.998194
"375293"	1235.599401	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+HCOOH-H"	44.998201
"359176"	1249.615051	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+Hac-H"	59.013851
"1506551"	654.314451	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Hac-H"	59.013851
"966072"	662.280751	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-H+NaCOOH"	66.980151
"116073"	630.270002	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+2Cl"	69.938804
"554541"	927.920302	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+2Cl"	69.938804
"1026620"	332.619702	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2Cl"	69.938804
"1244012"	674.219485	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Br"	78.918885
"1315210"	676.275472	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Cl+HCOOH"	80.974872
"1327238"	698.257429	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Cl+NaCOOH"	102.956829
"923763"	708.286186	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M-H+CF3COOH"	112.985586
"1301565"	744.262864	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Cl+CF3COOH"	148.962264
"1377539"	560.287924	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H-2H2O"	-35.012676
"1397223"	578.2979	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H-H2O"	-17.0027
"298009"	1191.608476	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+H"	1.007276
"691035"	1786.909076	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+H"	1.007276
"1366618"	596.307876	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H"	1.007276
"140033"	596.307876	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+2H"	2.014552
"580569"	893.958176	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+2H"	2.014552
"1051316"	298.657576	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2H"	2.014552
"218853"	397.874342666667	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+3H"	3.021828
"659469"	596.307876	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+3H"	3.021828
"1178113"	199.440809333333	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+3H"	3.021828
"439691"	1208.635023	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+NH4"	18.033823
"800077"	1803.935623	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+NH4"	18.033823
"1696777"	613.334423	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+NH4"	18.033823
"345584"	604.8211495	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+H+NH4"	19.041099
"738315"	902.4714495	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+H+NH4"	19.041099
"1492589"	307.1708495	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H+NH4"	19.041099
"408353"	1213.590418	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+Na"	22.989218
"769143"	1808.891018	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+Na"	22.989218
"1617605"	618.289818	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Na"	22.989218
"329592"	607.298847	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+H+Na"	23.996494
"722614"	904.949147	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+H+Na"	23.996494
"1476803"	309.648547	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H+Na"	23.996494
"1068376"	206.768123333333	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2H+Na"	25.00377
"1268807"	628.334086	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+CH3OH+H"	33.033486
"384103"	1229.564358	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+K"	38.963158
"744007"	1824.864958	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+K"	38.963158
"1542779"	634.263758	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+K"	38.963158
"304328"	615.285817	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+H+K"	39.970434
"702215"	912.936117	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+H+K"	39.970434
"1448748"	317.635517	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H+K"	39.970434
"241363"	1232.635026	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+ACN+H"	42.033826
"1214435"	637.334426	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+ACN+H"	42.033826
"1196859"	319.170851	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+ACN+2H"	43.041102
"192649"	1235.57236	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+2Na-H"	44.97116
"634394"	1830.87296	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+2Na-H"	44.97116
"1137536"	640.27176	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2Na-H"	44.97116
"179004"	618.289818	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+2Na"	45.978436
"619297"	915.940118	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+2Na"	45.978436
"1119887"	320.639518	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2Na"	45.978436
"1411432"	214.095437333333	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H+2Na"	46.985712
"1442454"	642.313346	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H+HCOOH"	47.012746
"233973"	623.32284	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+3H2O+2H"	56.04448
"1522398"	656.36539	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+IsoProp+H"	61.06479
"416619"	626.276788	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+Na+K"	61.952376
"780903"	923.927088	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+Na+K"	61.952376
"1673957"	328.626488	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Na+K"	61.952376
"252819"	1254.616968	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+ACN+Na"	64.015768
"1232090"	659.316368	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+ACN+Na"	64.015768
"1715509"	659.339893	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+NH4+HCOOH"	64.039293
"1187058"	221.422751333333	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+3Na"	68.967654
"1658408"	664.295288	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Na+HCOOH"	68.994688
"167457"	1267.52024	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+2K-H"	76.91904
"598999"	1862.82084	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+2K-H"	76.91904
"1085333"	672.21964	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2K-H"	76.91904
"143606"	634.263758	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"2M+2K"	77.926316
"582313"	931.914058	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"3M+2K"	77.926316
"1073514"	336.613458	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2K"	77.926316
"1103443"	674.234192	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2K+H"	78.933592
"1338734"	674.321807	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+DMSO+H"	79.021207
"1008360"	678.360976	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2ACN+H"	83.060376
"1527580"	679.354608	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+IsoProp+Na+H"	84.054008
"997308"	339.684126	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+2ACN+2H"	84.067652
"1592904"	680.269228	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+K+HCOOH"	84.968628
"1424031"	710.300738	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+H+CF3COOH"	115.000138
"1154320"	360.197401	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+3ACN+2H"	125.094202
"1707151"	727.327285	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+NH4+CF3COOH"	132.026685
"1648271"	732.28268	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+Na+CF3COOH"	136.98208
"1582825"	748.25662	"C15654"	"Kni 102"	"C31H41N5O7"	"595.3006"	"M+K+CF3COOH"	152.95602
"813196"	667.2498	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M"	0
"988794"	648.23141	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-H2O-H"	-19.01839
"77648"	443.825924	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M-3H"	-3.021828
"515631"	666.242524	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M-3H"	-3.021828
"891246"	221.409324	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-3H"	-3.021828
"14192"	666.242524	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M-2H"	-2.014552
"451568"	999.867424	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M-2H"	-2.014552
"831190"	332.617624	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-2H"	-2.014552
"90093"	1333.492324	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M-H"	-1.007276
"527829"	2000.742124	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M-H"	-1.007276
"907815"	666.242524	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-H"	-1.007276
"58906"	1350.518871	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M-2H+NH4"	16.019271
"500290"	2017.768671	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M-2H+NH4"	16.019271
"874811"	683.269071	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-2H+NH4"	16.019271
"39795"	1355.474266	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M-2H+Na"	20.974666
"474988"	2022.724066	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M-2H+Na"	20.974666
"853884"	688.224466	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-2H+Na"	20.974666
"1623420"	688.224466	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Na-2H"	20.974666
"98856"	684.230863	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M-H+Cl"	33.962126
"536225"	1017.855763	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M-H+Cl"	33.962126
"928649"	350.605963	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-H+Cl"	33.962126
"267438"	1369.469002	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+Cl"	34.969402
"664734"	2036.718802	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+Cl"	34.969402
"1277135"	702.219202	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Cl"	34.969402
"17867"	1371.448206	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M-2H+K"	36.948606
"469468"	2038.698006	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M-2H+K"	36.948606
"845084"	704.198406	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-2H+K"	36.948606
"1566385"	704.198406	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+K-2H"	36.948606
"958239"	712.247994	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-H+HCOOH"	44.998194
"376970"	1379.497801	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+HCOOH-H"	44.998201
"358557"	1393.513451	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+Hac-H"	59.013851
"1506663"	726.263651	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Hac-H"	59.013851
"966182"	734.229951	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-H+NaCOOH"	66.980151
"116183"	702.219202	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+2Cl"	69.938804
"555743"	1035.844102	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+2Cl"	69.938804
"1025637"	368.594302	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2Cl"	69.938804
"1243029"	746.168685	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Br"	78.918885
"1313133"	748.224672	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Cl+HCOOH"	80.974872
"1327348"	770.206629	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Cl+NaCOOH"	102.956829
"920593"	780.235386	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M-H+CF3COOH"	112.985586
"1298395"	816.212064	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Cl+CF3COOH"	148.962264
"1377649"	632.237124	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H-2H2O"	-35.012676
"1397578"	650.2471	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H-H2O"	-17.0027
"297750"	1335.506876	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+H"	1.007276
"691268"	2002.756676	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+H"	1.007276
"1366838"	668.257076	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H"	1.007276
"141306"	668.257076	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+2H"	2.014552
"581317"	1001.881976	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+2H"	2.014552
"1052723"	334.632176	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2H"	2.014552
"219896"	445.840476	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+3H"	3.021828
"659919"	668.257076	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+3H"	3.021828
"1178223"	223.423876	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+3H"	3.021828
"439758"	1352.533423	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+NH4"	18.033823
"801264"	2019.783223	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+NH4"	18.033823
"1696878"	685.283623	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+NH4"	18.033823
"345587"	676.7703495	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+H+NH4"	19.041099
"737946"	1010.3952495	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+H+NH4"	19.041099
"1492332"	343.1454495	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H+NH4"	19.041099
"408134"	1357.488818	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+Na"	22.989218
"769252"	2024.738618	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+Na"	22.989218
"1617714"	690.239018	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Na"	22.989218
"329572"	679.248047	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+H+Na"	23.996494
"722774"	1012.872947	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+H+Na"	23.996494
"1476743"	345.623147	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H+Na"	23.996494
"1067600"	230.75119	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2H+Na"	25.00377
"1268917"	700.283286	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+CH3OH+H"	33.033486
"384213"	1373.462758	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+K"	38.963158
"744117"	2040.712558	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+K"	38.963158
"1541795"	706.212958	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+K"	38.963158
"301157"	687.235017	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+H+K"	39.970434
"697951"	1020.859917	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+H+K"	39.970434
"1446670"	353.610117	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H+K"	39.970434
"239650"	1376.533426	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+ACN+H"	42.033826
"1211993"	709.283626	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+ACN+H"	42.033826
"1195875"	355.145451	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+ACN+2H"	43.041102
"191664"	1379.47076	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+2Na-H"	44.97116
"634867"	2046.72056	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+2Na-H"	44.97116
"1133147"	712.22096	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2Na-H"	44.97116
"174248"	690.239018	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+2Na"	45.978436
"617943"	1023.863918	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+2Na"	45.978436
"1120724"	356.614118	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2Na"	45.978436
"1412635"	238.078504	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H+2Na"	46.985712
"1441470"	714.262546	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H+HCOOH"	47.012746
"226791"	695.27204	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+3H2O+2H"	56.04448
"1515948"	728.31459	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+IsoProp+H"	61.06479
"415636"	698.225988	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+Na+K"	61.952376
"781747"	1031.850888	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+Na+K"	61.952376
"1676983"	364.601088	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Na+K"	61.952376
"254753"	1398.515368	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+ACN+Na"	64.015768
"1233293"	731.265568	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+ACN+Na"	64.015768
"1715983"	731.289093	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+NH4+HCOOH"	64.039293
"1186439"	245.405818	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+3Na"	68.967654
"1660705"	736.244488	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Na+HCOOH"	68.994688
"167567"	1411.41864	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+2K-H"	76.91904
"598986"	2078.66844	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+2K-H"	76.91904
"1085928"	744.16884	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2K-H"	76.91904
"143353"	706.212958	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"2M+2K"	77.926316
"584737"	1039.837858	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"3M+2K"	77.926316
"1073624"	372.588058	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2K"	77.926316
"1101608"	746.183392	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2K+H"	78.933592
"1338844"	746.271007	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+DMSO+H"	79.021207
"1011750"	750.310176	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2ACN+H"	83.060376
"1525868"	751.303808	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+IsoProp+Na+H"	84.054008
"995232"	375.658726	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+2ACN+2H"	84.067652
"1596295"	752.218428	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+K+HCOOH"	84.968628
"1424141"	782.249938	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+H+CF3COOH"	115.000138
"1155523"	396.172001	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+3ACN+2H"	125.094202
"1703980"	799.276485	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+NH4+CF3COOH"	132.026685
"1648381"	804.23188	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+Na+CF3COOH"	136.98208
"1582935"	820.20582	"C15655"	"Kynostatin 272;KNI-272"	"C33H41N5O6S2"	"667.2498"	"M+K+CF3COOH"	152.95602
"815741"	618.324	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M"	0
"989271"	599.30561	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-H2O-H"	-19.01839
"77031"	411.208724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M-3H"	-3.021828
"516835"	617.316724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M-3H"	-3.021828
"894272"	205.100724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-3H"	-3.021828
"4464"	617.316724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M-2H"	-2.014552
"452772"	926.478724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M-2H"	-2.014552
"821825"	308.154724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-2H"	-2.014552
"85098"	1235.640724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M-H"	-1.007276
"526845"	1853.964724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M-H"	-1.007276
"909019"	617.316724	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-H"	-1.007276
"59019"	1252.667271	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M-2H+NH4"	16.019271
"497487"	1870.991271	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M-2H+NH4"	16.019271
"875287"	634.343271	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-2H+NH4"	16.019271
"37725"	1257.622666	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M-2H+Na"	20.974666
"476193"	1875.946666	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M-2H+Na"	20.974666
"852901"	639.298666	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-2H+Na"	20.974666
"1624625"	639.298666	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Na-2H"	20.974666
"97872"	635.305063	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M-H+Cl"	33.962126
"538527"	944.467063	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M-H+Cl"	33.962126
"931313"	326.143063	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-H+Cl"	33.962126
"271693"	1271.617402	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+Cl"	34.969402
"663748"	1889.941402	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+Cl"	34.969402
"1276518"	653.293402	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Cl"	34.969402
"30385"	1273.596606	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M-2H+K"	36.948606
"471214"	1891.920606	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M-2H+K"	36.948606
"846656"	655.272606	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-2H+K"	36.948606
"1570513"	655.272606	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+K-2H"	36.948606
"958071"	663.322194	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-H+HCOOH"	44.998194
"373691"	1281.646201	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+HCOOH-H"	44.998201
"358666"	1295.661851	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+Hac-H"	59.013851
"1504221"	677.337851	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Hac-H"	59.013851
"967387"	685.304151	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-H+NaCOOH"	66.980151
"117388"	653.293402	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+2Cl"	69.938804
"561320"	962.455402	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+2Cl"	69.938804
"1023560"	344.131402	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2Cl"	69.938804
"1243139"	697.242885	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Br"	78.918885
"1307774"	699.298872	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Cl+HCOOH"	80.974872
"1328550"	721.280829	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Cl+NaCOOH"	102.956829
"920704"	731.309586	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M-H+CF3COOH"	112.985586
"1295224"	767.286264	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Cl+CF3COOH"	148.962264
"1374480"	583.311324	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H-2H2O"	-35.012676
"1389789"	601.3213	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H-H2O"	-17.0027
"296036"	1237.655276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+H"	1.007276
"690527"	1855.979276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+H"	1.007276
"1366150"	619.331276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H"	1.007276
"139522"	619.331276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+2H"	2.014552
"580425"	928.493276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+2H"	2.014552
"1051172"	310.169276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2H"	2.014552
"219559"	413.223276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+3H"	3.021828
"658992"	619.331276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+3H"	3.021828
"1177484"	207.115276	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+3H"	3.021828
"439180"	1254.681823	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+NH4"	18.033823
"801321"	1873.005823	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+NH4"	18.033823
"1696589"	636.357823	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+NH4"	18.033823
"345629"	627.8445495	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+H+NH4"	19.041099
"738180"	937.0065495	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+H+NH4"	19.041099
"1492120"	318.6825495	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H+NH4"	19.041099
"407638"	1259.637218	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+Na"	22.989218
"768270"	1877.961218	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+Na"	22.989218
"1617907"	641.313218	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Na"	22.989218
"329442"	630.322247	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+H+Na"	23.996494
"722660"	939.484247	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+H+Na"	23.996494
"1475801"	321.160247	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H+Na"	23.996494
"1057510"	214.44259	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2H+Na"	25.00377
"1261379"	651.357486	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+CH3OH+H"	33.033486
"383233"	1275.611158	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+K"	38.963158
"744230"	1893.935158	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+K"	38.963158
"1546280"	657.287158	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+K"	38.963158
"298551"	638.309217	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+H+K"	39.970434
"696974"	947.471217	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+H+K"	39.970434
"1448971"	329.147217	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H+K"	39.970434
"241584"	1278.681826	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+ACN+H"	42.033826
"1217572"	660.357826	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+ACN+H"	42.033826
"1199269"	330.682551	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+ACN+2H"	43.041102
"193233"	1281.61916	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+2Na-H"	44.97116
"633884"	1899.94316	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+2Na-H"	44.97116
"1133744"	663.29516	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2Na-H"	44.97116
"178499"	641.313218	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+2Na"	45.978436
"626567"	950.475218	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+2Na"	45.978436
"1130564"	332.151218	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2Na"	45.978436
"1412992"	221.769904	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H+2Na"	46.985712
"1439394"	665.336746	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H+HCOOH"	47.012746
"223622"	646.34624	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+3H2O+2H"	56.04448
"1522260"	679.38879	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+IsoProp+H"	61.06479
"416845"	649.300188	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+Na+K"	61.952376
"784038"	958.462188	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+Na+K"	61.952376
"1679640"	340.138188	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Na+K"	61.952376
"260697"	1300.663768	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+ACN+Na"	64.015768
"1229393"	682.339768	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+ACN+Na"	64.015768
"1715365"	682.363293	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+NH4+HCOOH"	64.039293
"1183270"	229.097218	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+3Na"	68.967654
"1652071"	687.318688	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Na+HCOOH"	68.994688
"165490"	1313.56704	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+2K-H"	76.91904
"603957"	1931.89104	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+2K-H"	76.91904
"1089564"	695.24304	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2K-H"	76.91904
"146379"	657.287158	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"2M+2K"	77.926316
"588127"	966.449158	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"3M+2K"	77.926316
"1073732"	348.125158	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2K"	77.926316
"1101475"	697.257592	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2K+H"	78.933592
"1340050"	697.345207	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+DMSO+H"	79.021207
"1009675"	701.384376	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2ACN+H"	83.060376
"1528894"	702.378008	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+IsoProp+Na+H"	84.054008
"999716"	351.195826	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+2ACN+2H"	84.067652
"1595312"	703.292628	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+K+HCOOH"	84.968628
"1424251"	733.324138	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+H+CF3COOH"	115.000138
"1158914"	371.709101	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+3ACN+2H"	125.094202
"1710651"	750.350685	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+NH4+CF3COOH"	132.026685
"1648488"	755.30608	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+Na+CF3COOH"	136.98208
"1579767"	771.28002	"C15657"	"BILA 2185BS"	"C35H46N4O4S"	"618.324"	"M+K+CF3COOH"	152.95602
"814878"	341.1322	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M"	0
"986949"	322.11381	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H2O-H"	-19.01839
"77383"	226.414190666667	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-3H"	-3.021828
"516944"	340.124924	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-3H"	-3.021828
"894748"	112.703457333333	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-3H"	-3.021828
"5667"	340.124924	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H"	-2.014552
"451789"	510.691024	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H"	-2.014552
"820843"	169.558824	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H"	-2.014552
"86302"	681.257124	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-H"	-1.007276
"526955"	1022.389324	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-H"	-1.007276
"908764"	340.124924	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H"	-1.007276
"59129"	698.283671	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H+NH4"	16.019271
"498691"	1039.415871	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H+NH4"	16.019271
"876126"	357.151471	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H+NH4"	16.019271
"40023"	703.239066	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H+Na"	20.974666
"476303"	1044.371266	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H+Na"	20.974666
"851918"	362.106866	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H+Na"	20.974666
"1621819"	362.106866	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na-2H"	20.974666
"97617"	358.113263	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-H+Cl"	33.962126
"538273"	528.679363	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-H+Cl"	33.962126
"931424"	187.547163	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+Cl"	33.962126
"271075"	717.233802	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Cl"	34.969402
"662035"	1058.366002	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+Cl"	34.969402
"1276624"	376.101602	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl"	34.969402
"30128"	719.213006	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H+K"	36.948606
"469688"	1060.345206	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H+K"	36.948606
"847494"	378.080806	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H+K"	36.948606
"1569526"	378.080806	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+K-2H"	36.948606
"957287"	386.130394	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+HCOOH"	44.998194
"372344"	727.262601	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+HCOOH-H"	44.998201
"355496"	741.278251	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Hac-H"	59.013851
"1504331"	400.146051	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Hac-H"	59.013851
"966403"	408.112351	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+NaCOOH"	66.980151
"112394"	376.101602	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2Cl"	69.938804
"554870"	546.667702	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2Cl"	69.938804
"1024765"	205.535502	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2Cl"	69.938804
"1242518"	420.051085	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Br"	78.918885
"1307885"	422.107072	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl+HCOOH"	80.974872
"1325380"	444.089029	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl+NaCOOH"	102.956829
"917534"	454.117786	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+CF3COOH"	112.985586
"1295335"	490.094464	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl+CF3COOH"	148.962264
"1372403"	306.119524	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H-2H2O"	-35.012676
"1395367"	324.1295	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H-H2O"	-17.0027
"293961"	683.271676	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H"	1.007276
"687476"	1024.403876	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H"	1.007276
"1363825"	342.139476	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H"	1.007276
"140731"	342.139476	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2H"	2.014552
"580655"	512.705576	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2H"	2.014552
"1051280"	171.573376	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2H"	2.014552
"218574"	228.428742666667	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+3H"	3.021828
"658862"	342.139476	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+3H"	3.021828
"1178118"	114.718009333333	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+3H"	3.021828
"439166"	700.298223	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+NH4"	18.033823
"800769"	1041.430423	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+NH4"	18.033823
"1696255"	359.166023	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+NH4"	18.033823
"345223"	350.6527495	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H+NH4"	19.041099
"737441"	521.2188495	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H+NH4"	19.041099
"1490895"	180.0866495	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+NH4"	19.041099
"406657"	705.253618	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Na"	22.989218
"768017"	1046.385818	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+Na"	22.989218
"1617328"	364.121418	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na"	22.989218
"328218"	353.130447	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H+Na"	23.996494
"720876"	523.696547	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H+Na"	23.996494
"1476157"	182.564347	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+Na"	23.996494
"1056528"	122.045323333333	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2H+Na"	25.00377
"1261489"	374.165686	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+CH3OH+H"	33.033486
"381156"	721.227558	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+K"	38.963158
"742153"	1062.359758	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+K"	38.963158
"1544204"	380.095358	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+K"	38.963158
"298715"	361.117417	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H+K"	39.970434
"693798"	531.683517	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H+K"	39.970434
"1445639"	190.551317	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+K"	39.970434
"239870"	724.298226	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+ACN+H"	42.033826
"1210754"	383.166026	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+ACN+H"	42.033826
"1200472"	192.086651	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+ACN+2H"	43.041102
"192979"	727.23556	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2Na-H"	44.97116
"631807"	1068.36776	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2Na-H"	44.97116
"1133854"	386.10336	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2Na-H"	44.97116
"178609"	364.121418	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2Na"	45.978436
"626798"	534.687518	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2Na"	45.978436
"1130308"	193.555318	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2Na"	45.978436
"1410669"	129.372637333333	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+2Na"	46.985712
"1439504"	388.144946	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+HCOOH"	47.012746
"223732"	369.15444	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+3H2O+2H"	56.04448
"1521640"	402.19699	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+IsoProp+H"	61.06479
"420233"	372.108388	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Na+K"	61.952376
"782324"	542.674488	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+Na+K"	61.952376
"1678658"	201.542288	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na+K"	61.952376
"261898"	746.280168	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+ACN+Na"	64.015768
"1230960"	405.147968	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+ACN+Na"	64.015768
"1716934"	405.171493	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+NH4+HCOOH"	64.039293
"1182288"	136.699951333333	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+3Na"	68.967654
"1652546"	410.126888	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na+HCOOH"	68.994688
"162320"	759.18344	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2K-H"	76.91904
"601880"	1100.31564	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2K-H"	76.91904
"1091861"	418.05124	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2K-H"	76.91904
"145396"	380.095358	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2K"	77.926316
"587144"	550.661458	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2K"	77.926316
"1072749"	209.529258	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2K"	77.926316
"1102679"	420.065792	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2K+H"	78.933592
"1343441"	420.153407	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+DMSO+H"	79.021207
"1007598"	424.192576	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2ACN+H"	83.060376
"1532284"	425.186208	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+IsoProp+Na+H"	84.054008
"996546"	212.599926	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2ACN+2H"	84.067652
"1595422"	426.100828	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+K+HCOOH"	84.968628
"1422175"	456.132338	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+CF3COOH"	115.000138
"1161090"	233.113201	"C15658"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+3ACN+2H"	125.094202
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"768956"	2406.332918	"C15660"	"A 77003"	"C44H58N8O6"	"794.4479"	"3M+Na"	22.989218
"1615964"	817.437118	"C15660"	"A 77003"	"C44H58N8O6"	"794.4479"	"M+Na"	22.989218
"329533"	806.446147	"C15660"	"A 77003"	"C44H58N8O6"	"794.4479"	"2M+H+Na"	23.996494
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"1234827"	858.463668	"C15660"	"A 77003"	"C44H58N8O6"	"794.4479"	"M+ACN+Na"	64.015768
"1721529"	858.487193	"C15660"	"A 77003"	"C44H58N8O6"	"794.4479"	"M+NH4+HCOOH"	64.039293
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"688535"	1960.971176	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+H"	1.007276
"1366633"	654.328576	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+H"	1.007276
"140983"	654.328576	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+2H"	2.014552
"580749"	980.989226	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+2H"	2.014552
"1051492"	327.667926	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2H"	2.014552
"219391"	436.554809333333	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+3H"	3.021828
"659682"	654.328576	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+3H"	3.021828
"1178413"	218.781042666667	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+3H"	3.021828
"439893"	1324.676423	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+NH4"	18.033823
"801328"	1977.997723	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+NH4"	18.033823
"1696869"	671.355123	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+NH4"	18.033823
"345184"	662.8418495	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+H+NH4"	19.041099
"737968"	989.5024995	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+H+NH4"	19.041099
"1490491"	336.1811995	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+H+NH4"	19.041099
"405887"	1329.631818	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+Na"	22.989218
"769678"	1982.953118	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+Na"	22.989218
"1617411"	676.310518	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+Na"	22.989218
"328665"	665.319547	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+H+Na"	23.996494
"721570"	991.980197	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+H+Na"	23.996494
"1475629"	338.658897	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+H+Na"	23.996494
"1066337"	226.108356666667	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2H+Na"	25.00377
"1266195"	686.354786	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+CH3OH+H"	33.033486
"388047"	1345.605758	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+K"	38.963158
"747949"	1998.927058	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+K"	38.963158
"1547815"	692.284458	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+K"	38.963158
"304991"	673.306517	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+H+K"	39.970434
"700691"	999.967167	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+H+K"	39.970434
"1447950"	346.645867	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+H+K"	39.970434
"236673"	1348.676426	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+ACN+H"	42.033826
"1213634"	695.355126	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+ACN+H"	42.033826
"1200802"	348.181201	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+ACN+2H"	43.041102
"192580"	1351.61376	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+2Na-H"	44.97116
"635419"	2004.93506	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+2Na-H"	44.97116
"1133335"	698.29246	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2Na-H"	44.97116
"174925"	676.310518	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+2Na"	45.978436
"627859"	1002.971168	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+2Na"	45.978436
"1129546"	349.649868	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2Na"	45.978436
"1412094"	233.435670666667	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+H+2Na"	46.985712
"1439835"	700.334046	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+H+HCOOH"	47.012746
"224061"	681.34354	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+3H2O+2H"	56.04448
"1523432"	714.38609	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+IsoProp+H"	61.06479
"423730"	684.297488	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+Na+K"	61.952376
"784358"	1010.958138	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+Na+K"	61.952376
"1679721"	357.636838	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+Na+K"	61.952376
"262960"	1370.658368	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+ACN+Na"	64.015768
"1237123"	717.337068	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+ACN+Na"	64.015768
"1724920"	717.360593	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+NH4+HCOOH"	64.039293
"1186993"	240.762984666667	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+3Na"	68.967654
"1660167"	722.315988	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+Na+HCOOH"	68.994688
"164839"	1383.56164	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+2K-H"	76.91904
"601118"	2036.88294	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+2K-H"	76.91904
"1095473"	730.24034	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2K-H"	76.91904
"151194"	692.284458	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"2M+2K"	77.926316
"588568"	1018.945108	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"3M+2K"	77.926316
"1071986"	365.623808	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2K"	77.926316
"1103010"	732.254892	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2K+H"	78.933592
"1347051"	732.342507	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+DMSO+H"	79.021207
"1019594"	736.381676	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2ACN+H"	83.060376
"1533707"	737.375308	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+IsoProp+Na+H"	84.054008
"1002344"	368.694476	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+2ACN+2H"	84.067652
"1601950"	738.289928	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+K+HCOOH"	84.968628
"1423599"	768.321438	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+H+CF3COOH"	115.000138
"1162440"	389.207751	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+3ACN+2H"	125.094202
"1711336"	785.347985	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+NH4+CF3COOH"	132.026685
"1648928"	790.30338	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+Na+CF3COOH"	136.98208
"1576927"	806.27732	"C15661"	"A 80987"	"C37H43N5O6"	"653.3213"	"M+K+CF3COOH"	152.95602
"816046"	566.2781	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M"	0
"986297"	547.25971	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-H2O-H"	-19.01839
"74540"	376.511457333333	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M-3H"	-3.021828
"514101"	565.270824	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M-3H"	-3.021828
"892996"	187.752090666667	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-3H"	-3.021828
"8290"	565.270824	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M-2H"	-2.014552
"448945"	848.409874	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M-2H"	-2.014552
"824559"	282.131774	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-2H"	-2.014552
"88929"	1131.548924	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M-H"	-1.007276
"530310"	1697.827024	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M-H"	-1.007276
"904102"	565.270824	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-H"	-1.007276
"58840"	1148.575471	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M-2H+NH4"	16.019271
"491476"	1714.853571	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M-2H+NH4"	16.019271
"873652"	582.297371	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-2H+NH4"	16.019271
"40463"	1153.530866	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M-2H+Na"	20.974666
"473096"	1719.808966	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M-2H+Na"	20.974666
"850414"	587.252766	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-2H+Na"	20.974666
"1626267"	587.252766	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Na-2H"	20.974666
"103889"	583.259163	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M-H+Cl"	33.962126
"547826"	866.398213	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M-H+Cl"	33.962126
"939158"	300.120113	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-H+Cl"	33.962126
"274432"	1167.525602	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+Cl"	34.969402
"663572"	1733.803702	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+Cl"	34.969402
"1274880"	601.247502	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Cl"	34.969402
"31387"	1169.504806	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M-2H+K"	36.948606
"470458"	1735.782906	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M-2H+K"	36.948606
"848433"	603.226706	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-2H+K"	36.948606
"1571183"	603.226706	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+K-2H"	36.948606
"957971"	611.276294	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-H+HCOOH"	44.998194
"376945"	1177.554401	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+HCOOH-H"	44.998201
"360804"	1191.570051	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+Hac-H"	59.013851
"1508178"	625.291951	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Hac-H"	59.013851
"974063"	633.258251	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-H+NaCOOH"	66.980151
"123405"	601.247502	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+2Cl"	69.938804
"565625"	884.386552	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+2Cl"	69.938804
"1029579"	318.108452	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2Cl"	69.938804
"1254623"	645.196985	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Br"	78.918885
"1313791"	647.252972	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Cl+HCOOH"	80.974872
"1329100"	669.234929	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Cl+NaCOOH"	102.956829
"923438"	679.263686	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M-H+CF3COOH"	112.985586
"1297962"	715.240364	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Cl+CF3COOH"	148.962264
"1378310"	531.265424	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H-2H2O"	-35.012676
"1396903"	549.2754	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H-H2O"	-17.0027
"296587"	1133.563476	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+H"	1.007276
"689375"	1699.841576	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+H"	1.007276
"1366575"	567.285376	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H"	1.007276
"140445"	567.285376	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+2H"	2.014552
"580372"	850.424426	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+2H"	2.014552
"1051722"	284.146326	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2H"	2.014552
"219624"	378.526009333333	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+3H"	3.021828
"659791"	567.285376	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+3H"	3.021828
"1178288"	189.766642666667	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+3H"	3.021828
"439769"	1150.590023	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+NH4"	18.033823
"801087"	1716.868123	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+NH4"	18.033823
"1696567"	584.311923	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+NH4"	18.033823
"344846"	575.7986495	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+H+NH4"	19.041099
"737996"	858.9376995	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+H+NH4"	19.041099
"1492057"	292.6595995	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H+NH4"	19.041099
"406727"	1155.545418	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+Na"	22.989218
"769774"	1721.823518	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+Na"	22.989218
"1617035"	589.267318	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Na"	22.989218
"329017"	578.276347	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+H+Na"	23.996494
"722612"	861.415397	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+H+Na"	23.996494
"1473553"	295.137297	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H+Na"	23.996494
"1063534"	197.093956666667	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2H+Na"	25.00377
"1261933"	599.311586	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+CH3OH+H"	33.033486
"385972"	1171.519358	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+K"	38.963158
"746966"	1737.797458	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+K"	38.963158
"1549018"	605.241258	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+K"	38.963158
"305464"	586.263317	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+H+K"	39.970434
"699707"	869.402367	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+H+K"	39.970434
"1448060"	303.124267	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H+K"	39.970434
"236904"	1174.590026	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+ACN+H"	42.033826
"1210827"	608.311926	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+ACN+H"	42.033826
"1199089"	304.659601	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+ACN+2H"	43.041102
"193054"	1177.52736	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+2Na-H"	44.97116
"631518"	1743.80546	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+2Na-H"	44.97116
"1133202"	611.24926	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2Na-H"	44.97116
"175764"	589.267318	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+2Na"	45.978436
"628363"	872.406368	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+2Na"	45.978436
"1130869"	306.128268	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2Na"	45.978436
"1412203"	204.421270666667	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H+2Na"	46.985712
"1439945"	613.290846	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H+HCOOH"	47.012746
"223805"	594.30034	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+3H2O+2H"	56.04448
"1523174"	627.34289	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+IsoProp+H"	61.06479
"421770"	597.254288	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+Na+K"	61.952376
"785612"	880.393338	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+Na+K"	61.952376
"1680194"	314.115238	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Na+K"	61.952376
"263070"	1196.571968	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+ACN+Na"	64.015768
"1235047"	630.293868	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+ACN+Na"	64.015768
"1725030"	630.317393	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+NH4+HCOOH"	64.039293
"1188196"	211.748584666667	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+3Na"	68.967654
"1660277"	635.272788	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Na+HCOOH"	68.994688
"167136"	1209.47524	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+2K-H"	76.91904
"604508"	1775.75334	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+2K-H"	76.91904
"1095582"	643.19714	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2K-H"	76.91904
"148024"	605.241258	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"2M+2K"	77.926316
"587585"	888.380308	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"3M+2K"	77.926316
"1073189"	322.102208	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2K"	77.926316
"1105306"	645.211692	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2K+H"	78.933592
"1347161"	645.299307	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+DMSO+H"	79.021207
"1020311"	649.338476	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2ACN+H"	83.060376
"1533817"	650.332108	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+IsoProp+Na+H"	84.054008
"1001361"	325.172876	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+2ACN+2H"	84.067652
"1602716"	651.246728	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+K+HCOOH"	84.968628
"1426989"	681.278238	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+H+CF3COOH"	115.000138
"1162673"	345.686151	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+3ACN+2H"	125.094202
"1710109"	698.304785	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+NH4+CF3COOH"	132.026685
"1647581"	703.26018	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+Na+CF3COOH"	136.98208
"1580317"	719.23412	"C15662"	"Dmp 323"	"C35H38N2O5"	"566.2781"	"M+K+CF3COOH"	152.95602
"814699"	188.0175	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M"	0
"986407"	168.99911	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-H2O-H"	-19.01839
"73557"	124.337724	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M-3H"	-3.021828
"513118"	187.010224	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M-3H"	-3.021828
"892742"	61.665224	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-3H"	-3.021828
"8400"	187.010224	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M-2H"	-2.014552
"446868"	281.018974	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M-2H"	-2.014552
"821389"	93.001474	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-2H"	-2.014552
"89765"	375.027724	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M-H"	-1.007276
"525317"	563.045224	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M-H"	-1.007276
"905305"	187.010224	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-H"	-1.007276
"57857"	392.054271	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M-2H+NH4"	16.019271
"490492"	580.071771	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M-2H+NH4"	16.019271
"870481"	204.036771	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-2H+NH4"	16.019271
"31984"	397.009666	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M-2H+Na"	20.974666
"471535"	585.027166	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M-2H+Na"	20.974666
"850281"	208.992166	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-2H+Na"	20.974666
"1624190"	208.992166	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Na-2H"	20.974666
"97438"	204.998563	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M-H+Cl"	33.962126
"545749"	299.007313	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M-H+Cl"	33.962126
"935988"	110.989813	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-H+Cl"	33.962126
"274542"	411.004402	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+Cl"	34.969402
"662589"	599.021902	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+Cl"	34.969402
"1274260"	222.986902	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Cl"	34.969402
"30319"	412.983606	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M-2H+K"	36.948606
"469872"	601.001106	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M-2H+K"	36.948606
"848416"	224.966106	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-2H+K"	36.948606
"1571297"	224.966106	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+K-2H"	36.948606
"957716"	233.015694	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-H+HCOOH"	44.998194
"375079"	421.033201	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+HCOOH-H"	44.998201
"360306"	435.048851	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+Hac-H"	59.013851
"1508090"	247.031351	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Hac-H"	59.013851
"973886"	254.997651	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-H+NaCOOH"	66.980151
"122423"	222.986902	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+2Cl"	69.938804
"565510"	316.995652	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+2Cl"	69.938804
"1031876"	128.978152	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2Cl"	69.938804
"1254734"	266.936385	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Br"	78.918885
"1313902"	268.992372	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Cl+HCOOH"	80.974872
"1328117"	290.974329	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Cl+NaCOOH"	102.956829
"922455"	301.003086	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M-H+CF3COOH"	112.985586
"1298072"	336.979764	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Cl+CF3COOH"	148.962264
"1377326"	153.004824	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H-2H2O"	-35.012676
"1393730"	171.0148	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H-H2O"	-17.0027
"296333"	377.042276	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+H"	1.007276
"688755"	565.059776	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+H"	1.007276
"1366442"	189.024776	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H"	1.007276
"140310"	189.024776	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+2H"	2.014552
"580719"	283.033526	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+2H"	2.014552
"1052720"	95.016026	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2H"	2.014552
"219245"	126.352276	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+3H"	3.021828
"659167"	189.024776	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+3H"	3.021828
"1178149"	63.679776	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+3H"	3.021828
"439594"	394.068823	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+NH4"	18.033823
"800587"	582.086323	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+NH4"	18.033823
"1696800"	206.051323	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+NH4"	18.033823
"345280"	197.5380495	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+H+NH4"	19.041099
"737617"	291.5467995	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+H+NH4"	19.041099
"1491073"	103.5292995	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H+NH4"	19.041099
"406106"	399.024218	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+Na"	22.989218
"766004"	587.041718	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+Na"	22.989218
"1614107"	211.006718	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Na"	22.989218
"326694"	200.015747	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+H+Na"	23.996494
"718750"	294.024497	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+H+Na"	23.996494
"1470382"	106.006997	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H+Na"	23.996494
"1064734"	71.00709	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2H+Na"	25.00377
"1264227"	221.050986	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+CH3OH+H"	33.033486
"384986"	414.998158	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+K"	38.963158
"747076"	603.015658	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+K"	38.963158
"1549128"	226.980658	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+K"	38.963158
"300471"	208.002717	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+H+K"	39.970434
"693985"	302.011467	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+H+K"	39.970434
"1446467"	113.993967	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H+K"	39.970434
"236281"	418.068826	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+ACN+H"	42.033826
"1210328"	230.051326	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+ACN+H"	42.033826
"1197376"	115.529301	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+ACN+2H"	43.041102
"189518"	421.00616	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+2Na-H"	44.97116
"629117"	609.02366	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+2Na-H"	44.97116
"1133312"	232.98866	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2Na-H"	44.97116
"174415"	211.006718	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+2Na"	45.978436
"628339"	305.015468	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+2Na"	45.978436
"1130615"	116.997968	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2Na"	45.978436
"1412313"	78.334404	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H+2Na"	46.985712
"1440055"	235.030246	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H+HCOOH"	47.012746
"223551"	216.03974	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+3H2O+2H"	56.04448
"1521098"	249.08229	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+IsoProp+H"	61.06479
"422609"	218.993688	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+Na+K"	61.952376
"785607"	313.002438	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+Na+K"	61.952376
"1678117"	124.984938	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Na+K"	61.952376
"265003"	440.050768	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+ACN+Na"	64.015768
"1235157"	252.033268	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+ACN+Na"	64.015768
"1725140"	252.056793	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+NH4+HCOOH"	64.039293
"1190492"	85.661718	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+3Na"	68.967654
"1661481"	257.012188	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Na+HCOOH"	68.994688
"168340"	452.95404	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+2K-H"	76.91904
"605711"	640.97154	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+2K-H"	76.91904
"1094599"	264.93654	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2K-H"	76.91904
"147041"	226.980658	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"2M+2K"	77.926316
"588788"	320.989408	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"3M+2K"	77.926316
"1071113"	132.971908	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2K"	77.926316
"1106509"	266.951092	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2K+H"	78.933592
"1347271"	267.038707	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+DMSO+H"	79.021207
"1019814"	271.077876	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2ACN+H"	83.060376
"1533927"	272.071508	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+IsoProp+Na+H"	84.054008
"1003658"	136.042576	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+2ACN+2H"	84.067652
"1602708"	272.986128	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+K+HCOOH"	84.968628
"1427099"	303.017638	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+H+CF3COOH"	115.000138
"1162732"	156.555851	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+3ACN+2H"	125.094202
"1710219"	320.044185	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+NH4+CF3COOH"	132.026685
"1647691"	324.99958	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+Na+CF3COOH"	136.98208
"1580427"	340.97352	"C15663"	"CMN 131;Pyridyl-2-thioacetamide monohydrochloride"	"C7H8N2SHCl"	"188.0175"	"M+K+CF3COOH"	152.95602
"815173"	353.081	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M"	0
"987610"	334.06261	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-H2O-H"	-19.01839
"74759"	234.380057333333	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M-3H"	-3.021828
"514321"	352.073724	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M-3H"	-3.021828
"891029"	116.686390666667	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-3H"	-3.021828
"6321"	352.073724	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M-2H"	-2.014552
"445154"	528.614224	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M-2H"	-2.014552
"823685"	175.533224	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-2H"	-2.014552
"85864"	705.154724	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M-H"	-1.007276
"526521"	1058.235724	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M-H"	-1.007276
"904323"	352.073724	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-H"	-1.007276
"56146"	722.181271	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M-2H+NH4"	16.019271
"488900"	1075.262271	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M-2H+NH4"	16.019271
"871685"	369.100271	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-2H+NH4"	16.019271
"32049"	727.136666	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M-2H+Na"	20.974666
"471586"	1080.217666	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M-2H+Na"	20.974666
"851483"	374.055666	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-2H+Na"	20.974666
"1623571"	374.055666	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Na-2H"	20.974666
"97547"	370.062063	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M-H+Cl"	33.962126
"542579"	546.602563	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M-H+Cl"	33.962126
"932813"	193.521563	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-H+Cl"	33.962126
"274652"	741.131402	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+Cl"	34.969402
"664156"	1094.212402	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+Cl"	34.969402
"1275462"	388.050402	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Cl"	34.969402
"30663"	743.110606	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M-2H+K"	36.948606
"468159"	1096.191606	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M-2H+K"	36.948606
"842680"	390.029606	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-2H+K"	36.948606
"1570064"	390.029606	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+K-2H"	36.948606
"957340"	398.079194	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-H+HCOOH"	44.998194
"376281"	751.160201	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+HCOOH-H"	44.998201
"360782"	765.175851	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+Hac-H"	59.013851
"1506940"	412.094851	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Hac-H"	59.013851
"973266"	420.061151	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-H+NaCOOH"	66.980151
"121438"	388.050402	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+2Cl"	69.938804
"564889"	564.590902	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+2Cl"	69.938804
"1028705"	211.509902	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2Cl"	69.938804
"1250470"	431.999885	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Br"	78.918885
"1318385"	434.055872	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Cl+HCOOH"	80.974872
"1332601"	456.037829	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Cl+NaCOOH"	102.956829
"914911"	466.066586	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M-H+CF3COOH"	112.985586
"1295995"	502.043264	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Cl+CF3COOH"	148.962264
"1375248"	318.068324	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H-2H2O"	-35.012676
"1388371"	336.0783	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H-H2O"	-17.0027
"291339"	707.169276	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+H"	1.007276
"685948"	1060.250276	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+H"	1.007276
"1364485"	354.088276	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H"	1.007276
"140542"	354.088276	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+2H"	2.014552
"580465"	530.628776	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+2H"	2.014552
"1051212"	177.547776	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2H"	2.014552
"219758"	236.394609333333	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+3H"	3.021828
"659518"	354.088276	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+3H"	3.021828
"1178215"	118.700942666667	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+3H"	3.021828
"439789"	724.195823	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+NH4"	18.033823
"801063"	1077.276823	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+NH4"	18.033823
"1695200"	371.114823	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+NH4"	18.033823
"345189"	362.6015495	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+H+NH4"	19.041099
"737973"	539.1420495	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+H+NH4"	19.041099
"1491910"	186.0610495	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H+NH4"	19.041099
"407795"	729.151218	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+Na"	22.989218
"768300"	1082.232218	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+Na"	22.989218
"1616400"	376.070218	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Na"	22.989218
"328626"	365.079247	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+H+Na"	23.996494
"720197"	541.619747	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+H+Na"	23.996494
"1469397"	188.538747	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H+Na"	23.996494
"1063751"	126.028256666667	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2H+Na"	25.00377
"1264335"	386.114486	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+CH3OH+H"	33.033486
"381815"	745.125158	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+K"	38.963158
"743904"	1098.206158	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+K"	38.963158
"1542675"	392.044158	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+K"	38.963158
"300215"	373.066217	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+H+K"	39.970434
"695916"	549.606717	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+H+K"	39.970434
"1446211"	196.525717	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H+K"	39.970434
"236270"	748.195826	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+ACN+H"	42.033826
"1211411"	395.114826	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+ACN+H"	42.033826
"1197122"	198.061051	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+ACN+2H"	43.041102
"189622"	751.13316	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+2Na-H"	44.97116
"629060"	1104.21416	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+2Na-H"	44.97116
"1131669"	398.05216	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2Na-H"	44.97116
"175252"	376.070218	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+2Na"	45.978436
"621382"	552.610718	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+2Na"	45.978436
"1127806"	199.529718	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2Na"	45.978436
"1409141"	133.355570666667	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H+2Na"	46.985712
"1439069"	400.093746	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H+HCOOH"	47.012746
"222931"	381.10324	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+3H2O+2H"	56.04448
"1514650"	414.14579	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+IsoProp+H"	61.06479
"413240"	384.057188	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+Na+K"	61.952376
"773143"	560.597688	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+Na+K"	61.952376
"1677130"	207.516688	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Na+K"	61.952376
"263287"	770.177768	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+ACN+Na"	64.015768
"1235267"	417.096768	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+ACN+Na"	64.015768
"1721967"	417.120293	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+NH4+HCOOH"	64.039293
"1182947"	140.682884666667	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+3Na"	68.967654
"1657215"	422.075688	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Na+HCOOH"	68.994688
"164074"	783.08104	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+2K-H"	76.91904
"598650"	1136.16204	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+2K-H"	76.91904
"1085229"	430.00004	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2K-H"	76.91904
"142044"	392.044158	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"2M+2K"	77.926316
"581486"	568.584658	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"3M+2K"	77.926316
"1068589"	215.503658	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2K"	77.926316
"1104433"	432.014592	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2K+H"	78.933592
"1341913"	432.102207	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+DMSO+H"	79.021207
"1013724"	436.141376	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2ACN+H"	83.060376
"1531850"	437.135008	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+IsoProp+Na+H"	84.054008
"998299"	218.574326	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+2ACN+2H"	84.067652
"1590614"	438.049628	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+K+HCOOH"	84.968628
"1418461"	468.081138	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+H+CF3COOH"	115.000138
"1155310"	239.087601	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+3ACN+2H"	125.094202
"1704860"	485.107685	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+NH4+CF3COOH"	132.026685
"1645978"	490.06308	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+Na+CF3COOH"	136.98208
"1580537"	506.03702	"C15664"	"B 823-08"	"C16H14F3N3OS"	"353.081"	"M+K+CF3COOH"	152.95602
"816137"	411.1617	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M"	0
"986627"	392.14331	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-H2O-H"	-19.01839
"73776"	273.100524	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M-3H"	-3.021828
"516618"	410.154424	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M-3H"	-3.021828
"891139"	136.046624	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-3H"	-3.021828
"5339"	410.154424	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M-2H"	-2.014552
"444900"	615.735274	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M-2H"	-2.014552
"823795"	204.573574	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-2H"	-2.014552
"88161"	821.316124	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M-H"	-1.007276
"529912"	1232.477824	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M-H"	-1.007276
"907713"	410.154424	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-H"	-1.007276
"60627"	838.342671	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M-2H+NH4"	16.019271
"497275"	1249.504371	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M-2H+NH4"	16.019271
"876168"	427.180971	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-2H+NH4"	16.019271
"32645"	843.298066	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M-2H+Na"	20.974666
"472690"	1254.459766	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M-2H+Na"	20.974666
"851593"	432.136366	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-2H+Na"	20.974666
"1626597"	432.136366	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Na-2H"	20.974666
"98386"	428.142763	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M-H+Cl"	33.962126
"543781"	633.723613	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M-H+Cl"	33.962126
"930736"	222.561913	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-H+Cl"	33.962126
"270747"	857.292802	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+Cl"	34.969402
"663169"	1268.454502	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+Cl"	34.969402
"1273868"	446.131102	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Cl"	34.969402
"29680"	859.272006	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M-2H+K"	36.948606
"469005"	1270.433706	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M-2H+K"	36.948606
"840603"	448.110306	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-2H+K"	36.948606
"1569202"	448.110306	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+K-2H"	36.948606
"957693"	456.159894	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-H+HCOOH"	44.998194
"374206"	867.321601	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+HCOOH-H"	44.998201
"360283"	881.337251	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+Hac-H"	59.013851
"1507290"	470.175551	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Hac-H"	59.013851
"973739"	478.141851	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-H+NaCOOH"	66.980151
"123736"	446.131102	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+2Cl"	69.938804
"564391"	651.711952	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+2Cl"	69.938804
"1026629"	240.550252	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2Cl"	69.938804
"1250580"	490.080585	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Br"	78.918885
"1317037"	492.136572	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Cl+HCOOH"	80.974872
"1332711"	514.118529	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Cl+NaCOOH"	102.956829
"915021"	524.147286	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M-H+CF3COOH"	112.985586
"1297198"	560.123964	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Cl+CF3COOH"	148.962264
"1375358"	376.149024	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H-2H2O"	-35.012676
"1388481"	394.159	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H-H2O"	-17.0027
"291449"	823.330676	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+H"	1.007276
"688245"	1234.492376	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+H"	1.007276
"1364595"	412.168976	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H"	1.007276
"140407"	412.168976	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+2H"	2.014552
"579967"	617.749826	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+2H"	2.014552
"1052535"	206.588126	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2H"	2.014552
"217758"	275.115076	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+3H"	3.021828
"659143"	412.168976	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+3H"	3.021828
"1178370"	138.061176	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+3H"	3.021828
"439740"	840.357223	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+NH4"	18.033823
"801257"	1251.518923	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+NH4"	18.033823
"1696043"	429.195523	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+NH4"	18.033823
"345013"	420.6822495	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+H+NH4"	19.041099
"738380"	626.2630995	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+H+NH4"	19.041099
"1491295"	215.1013995	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H+NH4"	19.041099
"406690"	845.312618	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+Na"	22.989218
"769140"	1256.474318	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+Na"	22.989218
"1617607"	434.150918	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Na"	22.989218
"329101"	423.159947	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+H+Na"	23.996494
"720064"	628.740797	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+H+Na"	23.996494
"1469507"	217.579097	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H+Na"	23.996494
"1059488"	145.38849	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2H+Na"	25.00377
"1261166"	444.195186	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+CH3OH+H"	33.033486
"380832"	861.286558	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+K"	38.963158
"744014"	1272.448258	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+K"	38.963158
"1541692"	450.124858	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+K"	38.963158
"303242"	431.146917	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+H+K"	39.970434
"696756"	636.727767	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+H+K"	39.970434
"1447415"	225.566067	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H+K"	39.970434
"239179"	864.357226	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+ACN+H"	42.033826
"1212981"	453.195526	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+ACN+H"	42.033826
"1199050"	227.101401	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+ACN+2H"	43.041102
"189243"	867.29456	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+2Na-H"	44.97116
"629168"	1278.45626	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+2Na-H"	44.97116
"1131578"	456.13286	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2Na-H"	44.97116
"176092"	434.150918	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+2Na"	45.978436
"621492"	639.731768	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+2Na"	45.978436
"1127916"	228.570068	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2Na"	45.978436
"1408158"	152.715804	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H+2Na"	46.985712
"1436993"	458.174446	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H+HCOOH"	47.012746
"224134"	439.18394	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+3H2O+2H"	56.04448
"1515488"	472.22649	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+IsoProp+H"	61.06479
"413350"	442.137888	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+Na+K"	61.952376
"776533"	647.718738	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+Na+K"	61.952376
"1671772"	236.557038	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Na+K"	61.952376
"259388"	886.339168	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+ACN+Na"	64.015768
"1231003"	475.177468	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+ACN+Na"	64.015768
"1717704"	475.200993	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+NH4+HCOOH"	64.039293
"1183059"	160.043118	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+3Na"	68.967654
"1656232"	480.156388	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Na+HCOOH"	68.994688
"160904"	899.24244	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+2K-H"	76.91904
"599003"	1310.40414	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+2K-H"	76.91904
"1086433"	488.08074	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2K-H"	76.91904
"142033"	450.124858	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"2M+2K"	77.926316
"581864"	655.705708	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"3M+2K"	77.926316
"1068683"	244.544008	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2K"	77.926316
"1103449"	490.095292	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2K+H"	78.933592
"1340930"	490.182907	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+DMSO+H"	79.021207
"1013834"	494.222076	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2ACN+H"	83.060376
"1530867"	495.215708	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+IsoProp+Na+H"	84.054008
"996221"	247.614676	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+2ACN+2H"	84.067652
"1589995"	496.130328	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+K+HCOOH"	84.968628
"1419664"	526.161838	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+H+CF3COOH"	115.000138
"1156513"	268.127951	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+3ACN+2H"	125.094202
"1704970"	543.188385	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+NH4+CF3COOH"	132.026685
"1646088"	548.14378	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+Na+CF3COOH"	136.98208
"1580647"	564.11772	"C15665"	"Ro 18-5364"	"C22H25N3O3S"	"411.1617"	"M+K+CF3COOH"	152.95602
"815392"	386.0784	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M"	0
"987830"	367.06001	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-H2O-H"	-19.01839
"72792"	256.378324	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M-3H"	-3.021828
"512354"	385.071124	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M-3H"	-3.021828
"886874"	127.685524	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-3H"	-3.021828
"7635"	385.071124	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M-2H"	-2.014552
"443916"	578.110324	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M-2H"	-2.014552
"820623"	192.031924	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-2H"	-2.014552
"87177"	771.149524	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M-H"	-1.007276
"528928"	1157.227924	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M-H"	-1.007276
"908914"	385.071124	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-H"	-1.007276
"60007"	788.176071	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M-2H+NH4"	16.019271
"498479"	1174.254471	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M-2H+NH4"	16.019271
"877736"	402.097671	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-2H+NH4"	16.019271
"33001"	793.131466	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M-2H+Na"	20.974666
"472316"	1179.209866	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M-2H+Na"	20.974666
"850730"	407.053066	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-2H+Na"	20.974666
"1626707"	407.053066	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Na-2H"	20.974666
"97767"	403.059463	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M-H+Cl"	33.962126
"543891"	596.098663	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M-H+Cl"	33.962126
"931939"	210.020263	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-H+Cl"	33.962126
"269765"	807.126202	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+Cl"	34.969402
"662550"	1193.204602	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+Cl"	34.969402
"1274221"	421.047802	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Cl"	34.969402
"29911"	809.105406	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M-2H+K"	36.948606
"470203"	1195.183806	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M-2H+K"	36.948606
"840713"	423.027006	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-2H+K"	36.948606
"1570402"	423.027006	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+K-2H"	36.948606
"957646"	431.076594	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-H+HCOOH"	44.998194
"375408"	817.155001	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+HCOOH-H"	44.998201
"360148"	831.170651	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+Hac-H"	59.013851
"1504847"	445.092251	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Hac-H"	59.013851
"973362"	453.058551	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-H+NaCOOH"	66.980151
"119471"	421.047802	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+2Cl"	69.938804
"563042"	614.087002	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+2Cl"	69.938804
"1026739"	228.008602	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2Cl"	69.938804
"1248503"	464.997285	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Br"	78.918885
"1315323"	467.053272	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Cl+HCOOH"	80.974872
"1331726"	489.035229	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Cl+NaCOOH"	102.956829
"916224"	499.063986	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M-H+CF3COOH"	112.985586
"1295121"	535.040664	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Cl+CF3COOH"	148.962264
"1375468"	351.065724	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H-2H2O"	-35.012676
"1389684"	369.0757	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H-H2O"	-17.0027
"289372"	773.164076	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+H"	1.007276
"686168"	1159.242476	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+H"	1.007276
"1364705"	387.085676	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H"	1.007276
"140401"	387.085676	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+2H"	2.014552
"580445"	580.124876	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+2H"	2.014552
"1051428"	194.046476	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2H"	2.014552
"219774"	258.392876	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+3H"	3.021828
"659879"	387.085676	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+3H"	3.021828
"1178190"	129.700076	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+3H"	3.021828
"439845"	790.190623	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+NH4"	18.033823
"801204"	1176.269023	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+NH4"	18.033823
"1696641"	404.112223	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+NH4"	18.033823
"345634"	395.5989495	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+H+NH4"	19.041099
"738425"	588.6381495	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+H+NH4"	19.041099
"1492733"	202.5597495	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H+NH4"	19.041099
"408516"	795.146018	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+Na"	22.989218
"768887"	1181.224418	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+Na"	22.989218
"1618328"	409.067618	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Na"	22.989218
"329577"	398.076647	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+H+Na"	23.996494
"722404"	591.115847	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+H+Na"	23.996494
"1468524"	205.037447	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H+Na"	23.996494
"1060691"	137.02739	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2H+Na"	25.00377
"1263462"	419.111886	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+CH3OH+H"	33.033486
"385316"	811.119958	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+K"	38.963158
"747404"	1197.198358	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+K"	38.963158
"1543989"	425.041558	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+K"	38.963158
"303352"	406.063617	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+H+K"	39.970434
"696866"	599.102817	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+H+K"	39.970434
"1449593"	213.024417	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H+K"	39.970434
"240383"	814.190626	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+ACN+H"	42.033826
"1213091"	428.112226	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+ACN+H"	42.033826
"1199524"	214.559751	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+ACN+2H"	43.041102
"191670"	817.12796	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+2Na-H"	44.97116
"631227"	1203.20636	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+2Na-H"	44.97116
"1133274"	431.04956	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2Na-H"	44.97116
"176568"	409.067618	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+2Na"	45.978436
"622331"	602.106818	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+2Na"	45.978436
"1125839"	216.028418	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2Na"	45.978436
"1407174"	144.354704	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H+2Na"	46.985712
"1440382"	433.091146	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H+HCOOH"	47.012746
"225705"	414.10064	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+3H2O+2H"	56.04448
"1518878"	447.14319	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+IsoProp+H"	61.06479
"413460"	417.054588	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+Na+K"	61.952376
"778829"	610.093788	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+Na+K"	61.952376
"1670787"	224.015388	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Na+K"	61.952376
"256581"	836.172568	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+ACN+Na"	64.015768
"1229289"	450.094168	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+ACN+Na"	64.015768
"1715986"	450.117693	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+NH4+HCOOH"	64.039293
"1184624"	151.682018	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+3Na"	68.967654
"1655247"	455.073088	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Na+HCOOH"	68.994688
"162107"	849.07584	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+2K-H"	76.91904
"598014"	1235.15424	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+2K-H"	76.91904
"1087272"	462.99744	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2K-H"	76.91904
"142143"	425.041558	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"2M+2K"	77.926316
"581738"	618.080758	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"3M+2K"	77.926316
"1069494"	232.002358	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2K"	77.926316
"1104652"	465.011992	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2K+H"	78.933592
"1346505"	465.099607	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+DMSO+H"	79.021207
"1012850"	469.138776	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2ACN+H"	83.060376
"1532070"	470.132408	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+IsoProp+Na+H"	84.054008
"994144"	235.073026	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+2ACN+2H"	84.067652
"1593019"	471.047028	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+K+HCOOH"	84.968628
"1419774"	501.078538	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+H+CF3COOH"	115.000138
"1151156"	255.586301	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+3ACN+2H"	125.094202
"1705080"	518.105085	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+NH4+CF3COOH"	132.026685
"1636357"	523.06048	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+Na+CF3COOH"	136.98208
"1580757"	539.03442	"C15666"	"(7R)-7-(4-Carboxybutanamido)cephalosporanate;7-Glutarylaminocephalosporanate"	"C15H18N2O8S"	"386.0784"	"M+K+CF3COOH"	152.95602
"815138"	339.0468	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M"	0
"986847"	320.02841	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-H2O-H"	-19.01839
"72902"	225.023924	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M-3H"	-3.021828
"511371"	338.039524	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M-3H"	-3.021828
"886984"	112.008324	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-3H"	-3.021828
"7745"	338.039524	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M-2H"	-2.014552
"445120"	507.562924	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M-2H"	-2.014552
"821098"	168.516124	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-2H"	-2.014552
"87288"	677.086324	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M-H"	-1.007276
"530132"	1016.133124	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M-H"	-1.007276
"909024"	338.039524	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-H"	-1.007276
"59024"	694.112871	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M-2H+NH4"	16.019271
"500776"	1033.159671	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M-2H+NH4"	16.019271
"877969"	355.066071	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-2H+NH4"	16.019271
"33111"	699.068266	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M-2H+Na"	20.974666
"472670"	1038.115066	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M-2H+Na"	20.974666
"852177"	360.021466	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-2H+Na"	20.974666
"1623537"	360.021466	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Na-2H"	20.974666
"97513"	356.027863	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M-H+Cl"	33.962126
"542908"	525.551263	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M-H+Cl"	33.962126
"930956"	186.504463	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-H+Cl"	33.962126
"270601"	713.063002	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+Cl"	34.969402
"663754"	1052.109802	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+Cl"	34.969402
"1275060"	374.016202	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Cl"	34.969402
"17251"	715.042206	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M-2H+K"	36.948606
"470436"	1054.089006	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M-2H+K"	36.948606
"841916"	375.995406	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-2H+K"	36.948606
"1570146"	375.995406	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+K-2H"	36.948606
"958352"	384.044994	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-H+HCOOH"	44.998194
"377080"	723.091801	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+HCOOH-H"	44.998201
"360989"	737.107451	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+Hac-H"	59.013851
"1505320"	398.060651	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Hac-H"	59.013851
"970673"	406.026951	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-H+NaCOOH"	66.980151
"119581"	374.016202	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+2Cl"	69.938804
"561328"	543.539602	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+2Cl"	69.938804
"1027942"	204.492802	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2Cl"	69.938804
"1246426"	417.965685	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Br"	78.918885
"1312154"	420.021672	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Cl+HCOOH"	80.974872
"1326370"	442.003629	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Cl+NaCOOH"	102.956829
"914511"	452.032386	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M-H+CF3COOH"	112.985586
"1294138"	488.009064	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Cl+CF3COOH"	148.962264
"1373392"	304.034124	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H-2H2O"	-35.012676
"1389795"	322.0441	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H-H2O"	-17.0027
"292761"	679.100876	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+H"	1.007276
"686278"	1018.147676	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+H"	1.007276
"1364087"	340.054076	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H"	1.007276
"139533"	340.054076	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+2H"	2.014552
"579461"	509.577476	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+2H"	2.014552
"1051540"	170.530676	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2H"	2.014552
"219902"	227.038476	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+3H"	3.021828
"659943"	340.054076	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+3H"	3.021828
"1176396"	114.022876	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+3H"	3.021828
"439630"	696.127423	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+NH4"	18.033823
"799935"	1035.174223	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+NH4"	18.033823
"1695172"	357.080623	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+NH4"	18.033823
"345516"	348.5673495	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+H+NH4"	19.041099
"737328"	518.0907495	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+H+NH4"	19.041099
"1490052"	179.0439495	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H+NH4"	19.041099
"407515"	701.082818	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+Na"	22.989218
"767542"	1040.129618	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+Na"	22.989218
"1617097"	362.036018	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Na"	22.989218
"328109"	351.045047	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+H+Na"	23.996494
"722350"	520.568447	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+H+Na"	23.996494
"1468634"	181.521647	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H+Na"	23.996494
"1060801"	121.35019	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2H+Na"	25.00377
"1264665"	372.080286	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+CH3OH+H"	33.033486
"386519"	717.056758	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+K"	38.963158
"747514"	1056.103558	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+K"	38.963158
"1542275"	378.009958	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+K"	38.963158
"302369"	359.032017	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+H+K"	39.970434
"694789"	528.555417	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+H+K"	39.970434
"1449703"	189.508617	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H+K"	39.970434
"242679"	720.127426	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+ACN+H"	42.033826
"1213201"	381.080626	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+ACN+H"	42.033826
"1202551"	191.043951	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+ACN+2H"	43.041102
"191780"	723.06476	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+2Na-H"	44.97116
"632067"	1062.11156	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+2Na-H"	44.97116
"1132290"	384.01796	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2Na-H"	44.97116
"176314"	362.036018	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+2Na"	45.978436
"622441"	531.559418	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+2Na"	45.978436
"1125949"	192.512618	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2Na"	45.978436
"1407284"	128.677504	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H+2Na"	46.985712
"1440492"	386.059546	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H+HCOOH"	47.012746
"228001"	367.06904	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+3H2O+2H"	56.04448
"1519351"	400.11159	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+IsoProp+H"	61.06479
"414663"	370.022988	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+Na+K"	61.952376
"777845"	539.546388	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+Na+K"	61.952376
"1670533"	200.499588	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Na+K"	61.952376
"256691"	742.109368	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+ACN+Na"	64.015768
"1227208"	403.062568	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+ACN+Na"	64.015768
"1714397"	403.086093	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+NH4+HCOOH"	64.039293
"1182182"	136.004818	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+3Na"	68.967654
"1657543"	408.041488	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Na+HCOOH"	68.994688
"159299"	755.01264	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+2K-H"	76.91904
"597522"	1094.05944	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+2K-H"	76.91904
"1087746"	415.96584	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2K-H"	76.91904
"141513"	378.009958	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"2M+2K"	77.926316
"581523"	547.533358	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"3M+2K"	77.926316
"1068669"	208.486558	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2K"	77.926316
"1104762"	417.980392	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2K+H"	78.933592
"1346615"	418.068007	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+DMSO+H"	79.021207
"1014053"	422.107176	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2ACN+H"	83.060376
"1531087"	423.100808	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+IsoProp+Na+H"	84.054008
"996440"	211.557226	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+2ACN+2H"	84.067652
"1593129"	424.015428	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+K+HCOOH"	84.968628
"1419884"	454.046938	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+H+CF3COOH"	115.000138
"1151266"	232.070501	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+3ACN+2H"	125.094202
"1705190"	471.073485	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+NH4+CF3COOH"	132.026685
"1636467"	476.02888	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+Na+CF3COOH"	136.98208
"1580867"	492.00282	"C15667"	"5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole"	"C9H14N3O9P"	"339.0468"	"M+K+CF3COOH"	152.95602
"816705"	69.0578	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M"	0
"986957"	50.03941	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-H2O-H"	-19.01839
"74106"	45.0312573333333	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M-3H"	-3.021828
"513667"	68.050524	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M-3H"	-3.021828
"887094"	22.0119906666667	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-3H"	-3.021828
"7855"	68.050524	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M-2H"	-2.014552
"445230"	102.579424	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M-2H"	-2.014552
"824125"	33.521624	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-2H"	-2.014552
"88492"	137.108324	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M-H"	-1.007276
"532916"	206.166124	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M-H"	-1.007276
"908041"	68.050524	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-H"	-1.007276
"56948"	154.134871	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M-2H+NH4"	16.019271
"497600"	223.192671	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M-2H+NH4"	16.019271
"877593"	85.077071	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-2H+NH4"	16.019271
"33221"	159.090266	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M-2H+Na"	20.974666
"476305"	228.148066	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M-2H+Na"	20.974666
"850830"	90.032466	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-2H+Na"	20.974666
"1623647"	90.032466	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Na-2H"	20.974666
"97987"	86.038863	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M-H+Cl"	33.962126
"545205"	120.567763	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M-H+Cl"	33.962126
"929973"	51.509963	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-H+Cl"	33.962126
"269617"	173.085002	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+Cl"	34.969402
"662771"	242.142802	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+Cl"	34.969402
"1274077"	104.027202	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Cl"	34.969402
"16873"	175.064206	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M-2H+K"	36.948606
"458021"	244.122006	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M-2H+K"	36.948606
"840933"	106.006406	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-2H+K"	36.948606
"1570258"	106.006406	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+K-2H"	36.948606
"957779"	114.055994	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-H+HCOOH"	44.998194
"376920"	183.113801	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+HCOOH-H"	44.998201
"360694"	197.129451	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+Hac-H"	59.013851
"1505430"	128.071651	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Hac-H"	59.013851
"972607"	136.037951	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-H+NaCOOH"	66.980151
"119691"	104.027202	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+2Cl"	69.938804
"562531"	138.556102	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+2Cl"	69.938804
"1029146"	69.498302	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2Cl"	69.938804
"1243620"	147.976685	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Br"	78.918885
"1312263"	150.032672	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Cl+HCOOH"	80.974872
"1328667"	172.014629	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Cl+NaCOOH"	102.956829
"920818"	182.043386	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M-H+CF3COOH"	112.985586
"1290236"	218.020064	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Cl+CF3COOH"	148.962264
"1373502"	34.045124	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H-2H2O"	-35.012676
"1389905"	52.0551	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H-H2O"	-17.0027
"292872"	139.122876	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+H"	1.007276
"684201"	208.180676	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+H"	1.007276
"1364561"	70.065076	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H"	1.007276
"138547"	70.065076	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+2H"	2.014552
"579449"	104.593976	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+2H"	2.014552
"1050190"	35.536176	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2H"	2.014552
"218091"	47.0458093333333	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+3H"	3.021828
"659111"	70.065076	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+3H"	3.021828
"1177236"	24.0265426666667	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+3H"	3.021828
"438199"	156.149423	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+NH4"	18.033823
"797858"	225.207223	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+NH4"	18.033823
"1695282"	87.091623	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+NH4"	18.033823
"344165"	78.5783495	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+H+NH4"	19.041099
"736951"	113.1072495	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+H+NH4"	19.041099
"1489797"	44.0494495	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H+NH4"	19.041099
"406288"	161.104818	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+Na"	22.989218
"767283"	230.162618	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+Na"	22.989218
"1616477"	92.047018	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Na"	22.989218
"327850"	81.056047	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+H+Na"	23.996494
"721246"	115.584947	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+H+Na"	23.996494
"1468744"	46.527147	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H+Na"	23.996494
"1059818"	31.3538566666667	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2H+Na"	25.00377
"1263682"	102.091286	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+CH3OH+H"	33.033486
"387358"	177.078758	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+K"	38.963158
"746530"	246.136558	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+K"	38.963158
"1542385"	108.020958	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+K"	38.963158
"303572"	89.043017	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+H+K"	39.970434
"697086"	123.571917	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+H+K"	39.970434
"1449813"	54.514117	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H+K"	39.970434
"242789"	180.149426	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+ACN+H"	42.033826
"1213311"	111.091626	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+ACN+H"	42.033826
"1203755"	56.049451	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+ACN+2H"	43.041102
"193346"	183.08676	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+2Na-H"	44.97116
"634362"	252.14456	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+2Na-H"	44.97116
"1131745"	114.02896	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2Na-H"	44.97116
"172939"	92.047018	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+2Na"	45.978436
"623643"	126.575918	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+2Na"	45.978436
"1127880"	57.518118	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2Na"	45.978436
"1410673"	38.6811706666667	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H+2Na"	46.985712
"1437322"	116.070546	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H+HCOOH"	47.012746
"225559"	97.08004	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+3H2O+2H"	56.04448
"1517273"	130.12259	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+IsoProp+H"	61.06479
"418419"	100.033988	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+Na+K"	61.952376
"778685"	134.562888	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+Na+K"	61.952376
"1673193"	65.505088	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Na+K"	61.952376
"253518"	202.131368	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+ACN+Na"	64.015768
"1225761"	133.073568	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+ACN+Na"	64.015768
"1713650"	133.097093	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+NH4+HCOOH"	64.039293
"1181194"	46.0084846666667	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+3Na"	68.967654
"1654372"	138.052488	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Na+HCOOH"	68.994688
"160502"	215.03464	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+2K-H"	76.91904
"597875"	284.09244	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+2K-H"	76.91904
"1086762"	145.97684	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2K-H"	76.91904
"141586"	108.020958	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"2M+2K"	77.926316
"581553"	142.549858	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"3M+2K"	77.926316
"1068513"	73.492058	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2K"	77.926316
"1103779"	147.991392	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2K+H"	78.933592
"1346725"	148.079007	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+DMSO+H"	79.021207
"1018536"	152.118176	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2ACN+H"	83.060376
"1533383"	153.111808	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+IsoProp+Na+H"	84.054008
"996550"	76.562726	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+2ACN+2H"	84.067652
"1593239"	154.026428	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+K+HCOOH"	84.968628
"1419994"	184.057938	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+H+CF3COOH"	115.000138
"1151376"	97.076001	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+3ACN+2H"	125.094202
"1698740"	201.084485	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+NH4+CF3COOH"	132.026685
"1636577"	206.03988	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+Na+CF3COOH"	136.98208
"1580977"	222.01382	"C15668"	"1-Pyrroline;34-Dihydro-2H-pyrrole"	"C4H7N"	"69.0578"	"M+K+CF3COOH"	152.95602
"816450"	852.3549	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M"	0
"987066"	833.33651	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-H2O-H"	-19.01839
"78214"	567.229324	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M-3H"	-3.021828
"515963"	851.347624	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M-3H"	-3.021828
"892673"	283.111024	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-3H"	-3.021828
"5779"	851.347624	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M-2H"	-2.014552
"445338"	1277.525074	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M-2H"	-2.014552
"827515"	425.170174	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-2H"	-2.014552
"89697"	1703.702524	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M-H"	-1.007276
"532294"	2556.057424	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M-H"	-1.007276
"905965"	851.347624	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-H"	-1.007276
"60340"	1720.729071	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M-2H+NH4"	16.019271
"498807"	2573.083971	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M-2H+NH4"	16.019271
"869686"	868.374171	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-2H+NH4"	16.019271
"36855"	1725.684466	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M-2H+Na"	20.974666
"478603"	2578.039366	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M-2H+Na"	20.974666
"852761"	873.329566	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-2H+Na"	20.974666
"1621202"	873.329566	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Na-2H"	20.974666
"96636"	869.335963	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M-H+Cl"	33.962126
"538752"	1295.513413	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M-H+Cl"	33.962126
"931539"	443.158513	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-H+Cl"	33.962126
"270826"	1739.679202	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+Cl"	34.969402
"662152"	2592.034102	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+Cl"	34.969402
"1275650"	887.324302	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Cl"	34.969402
"18209"	1741.658406	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M-2H+K"	36.948606
"470414"	2594.013306	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M-2H+K"	36.948606
"846521"	889.303506	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-2H+K"	36.948606
"1571187"	889.303506	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+K-2H"	36.948606
"958423"	897.353094	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-H+HCOOH"	44.998194
"376718"	1749.708001	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+HCOOH-H"	44.998201
"359624"	1763.723651	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+Hac-H"	59.013851
"1504447"	911.368751	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Hac-H"	59.013851
"966520"	919.335051	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-H+NaCOOH"	66.980151
"119802"	887.324302	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+2Cl"	69.938804
"558268"	1313.501752	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+2Cl"	69.938804
"1024881"	461.146852	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2Cl"	69.938804
"1248832"	931.273785	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Br"	78.918885
"1308002"	933.329772	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Cl+HCOOH"	80.974872
"1323309"	955.311729	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Cl+NaCOOH"	102.956829
"913638"	965.340486	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M-H+CF3COOH"	112.985586
"1293264"	1001.317164	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Cl+CF3COOH"	148.962264
"1370331"	817.342224	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H-2H2O"	-35.012676
"1391109"	835.3522	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H-H2O"	-17.0027
"292984"	1705.717076	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+H"	1.007276
"689786"	2558.071976	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+H"	1.007276
"1363945"	853.362176	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H"	1.007276
"138296"	853.362176	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+2H"	2.014552
"578219"	1279.539626	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+2H"	2.014552
"1049935"	427.184726	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2H"	2.014552
"218930"	569.243876	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+3H"	3.021828
"659462"	853.362176	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+3H"	3.021828
"1178159"	285.125576	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+3H"	3.021828
"438432"	1722.743623	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+NH4"	18.033823
"800036"	2575.098523	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+NH4"	18.033823
"1695754"	870.388723	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+NH4"	18.033823
"345001"	861.8754495	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+H+NH4"	19.041099
"734263"	1288.0528995	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+H+NH4"	19.041099
"1486991"	435.6979995	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H+NH4"	19.041099
"402389"	1727.699018	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+Na"	22.989218
"765573"	2580.053918	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+Na"	22.989218
"1616951"	875.344118	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Na"	22.989218
"328081"	864.353147	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+H+Na"	23.996494
"716128"	1290.530597	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+H+Na"	23.996494
"1467775"	438.175697	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H+Na"	23.996494
"1061017"	292.45289	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2H+Na"	25.00377
"1261602"	885.388386	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+CH3OH+H"	33.033486
"383457"	1743.672958	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+K"	38.963158
"741172"	2596.027858	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+K"	38.963158
"1547600"	891.318058	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+K"	38.963158
"302588"	872.340117	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+H+K"	39.970434
"693917"	1298.517567	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+H+K"	39.970434
"1446276"	446.162667	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H+K"	39.970434
"236701"	1746.743626	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+ACN+H"	42.033826
"1210866"	894.388726	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+ACN+H"	42.033826
"1195843"	447.698001	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+ACN+2H"	43.041102
"188950"	1749.68096	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+2Na-H"	44.97116
"631556"	2602.03586	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+2Na-H"	44.97116
"1133604"	897.32606	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2Na-H"	44.97116
"175802"	875.344118	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+2Na"	45.978436
"616826"	1301.521568	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+2Na"	45.978436
"1119239"	449.166668	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2Na"	45.978436
"1410786"	299.780204	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H+2Na"	46.985712
"1441811"	899.367646	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H+HCOOH"	47.012746
"230416"	880.37714	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+3H2O+2H"	56.04448
"1519570"	913.41969	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+IsoProp+H"	61.06479
"415976"	883.331088	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+Na+K"	61.952376
"775879"	1309.508538	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+Na+K"	61.952376
"1673302"	457.153638	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Na+K"	61.952376
"252535"	1768.725568	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+ACN+Na"	64.015768
"1226328"	916.370668	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+ACN+Na"	64.015768
"1714488"	916.394193	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+NH4+HCOOH"	64.039293
"1179844"	307.107518	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+3Na"	68.967654
"1652658"	921.349588	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Na+HCOOH"	68.994688
"161341"	1781.62884	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+2K-H"	76.91904
"597985"	2633.98374	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+2K-H"	76.91904
"1087601"	929.27394	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2K-H"	76.91904
"142351"	891.318058	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"2M+2K"	77.926316
"581867"	1317.495508	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"3M+2K"	77.926316
"1072867"	465.140608	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2K"	77.926316
"1100115"	931.288492	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2K+H"	78.933592
"1340275"	931.376107	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+DMSO+H"	79.021207
"1016461"	935.415276	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2ACN+H"	83.060376
"1533492"	936.408908	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+IsoProp+Na+H"	84.054008
"999940"	468.211276	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+2ACN+2H"	84.067652
"1595536"	937.323528	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+K+HCOOH"	84.968628
"1421197"	967.355038	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+H+CF3COOH"	115.000138
"1154766"	488.724551	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+3ACN+2H"	125.094202
"1699943"	984.381585	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+NH4+CF3COOH"	132.026685
"1636682"	989.33698	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+Na+CF3COOH"	136.98208
"1571726"	1005.31092	"C15670"	"Heme A"	"C49H56FeN4O6"	"852.3549"	"M+K+CF3COOH"	152.95602
"815831"	838.3757	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M"	0
"984990"	819.35731	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-H2O-H"	-19.01839
"72140"	557.909857333333	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M-3H"	-3.021828
"509513"	837.368424	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M-3H"	-3.021828
"889503"	278.451290666667	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-3H"	-3.021828
"4796"	837.368424	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M-2H"	-2.014552
"444355"	1256.556274	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M-2H"	-2.014552
"824344"	418.180574	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-2H"	-2.014552
"88711"	1675.744124	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M-H"	-1.007276
"530459"	2514.119824	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M-H"	-1.007276
"907169"	837.368424	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-H"	-1.007276
"61422"	1692.770671	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M-2H+NH4"	16.019271
"500861"	2531.146371	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M-2H+NH4"	16.019271
"870160"	854.394971	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-2H+NH4"	16.019271
"36236"	1697.726066	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M-2H+Na"	20.974666
"475432"	2536.101766	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M-2H+Na"	20.974666
"853600"	859.350366	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-2H+Na"	20.974666
"1619488"	859.350366	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Na-2H"	20.974666
"97474"	855.356763	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M-H+Cl"	33.962126
"535943"	1274.544613	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M-H+Cl"	33.962126
"929095"	436.168913	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-H+Cl"	33.962126
"270936"	1711.720802	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+Cl"	34.969402
"661530"	2550.096502	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+Cl"	34.969402
"1273567"	873.345102	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Cl"	34.969402
"20507"	1713.700006	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M-2H+K"	36.948606
"468821"	2552.075706	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M-2H+K"	36.948606
"846993"	875.324306	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-2H+K"	36.948606
"1569018"	875.324306	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+K-2H"	36.948606
"957804"	883.373894	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-H+HCOOH"	44.998194
"376222"	1721.749601	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+HCOOH-H"	44.998201
"360954"	1735.765251	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+Hac-H"	59.013851
"1507473"	897.389551	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Hac-H"	59.013851
"967724"	905.355851	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-H+NaCOOH"	66.980151
"119912"	873.345102	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+2Cl"	69.938804
"555099"	1292.532952	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+2Cl"	69.938804
"1029366"	454.157252	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2Cl"	69.938804
"1252223"	917.294585	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Br"	78.918885
"1312486"	919.350572	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Cl+HCOOH"	80.974872
"1326702"	941.332529	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Cl+NaCOOH"	102.956829
"913384"	951.361286	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M-H+CF3COOH"	112.985586
"1294469"	987.337964	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Cl+CF3COOH"	148.962264
"1373723"	803.363024	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H-2H2O"	-35.012676
"1396689"	821.373	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H-H2O"	-17.0027
"296010"	1677.758676	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+H"	1.007276
"689529"	2516.134376	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+H"	1.007276
"1360775"	839.382976	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H"	1.007276
"140472"	839.382976	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+2H"	2.014552
"579667"	1258.570826	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+2H"	2.014552
"1050773"	420.195126	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2H"	2.014552
"218797"	559.924409333333	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+3H"	3.021828
"659861"	839.382976	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+3H"	3.021828
"1177938"	280.465842666667	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+3H"	3.021828
"439271"	1694.785223	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+NH4"	18.033823
"800872"	2533.160923	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+NH4"	18.033823
"1696593"	856.409523	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+NH4"	18.033823
"345112"	847.8962495	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+H+NH4"	19.041099
"732186"	1267.0840995	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+H+NH4"	19.041099
"1490382"	428.7083995	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H+NH4"	19.041099
"400313"	1699.740618	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+Na"	22.989218
"765683"	2538.116318	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+Na"	22.989218
"1617061"	861.364918	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Na"	22.989218
"329284"	850.373947	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+H+Na"	23.996494
"716238"	1269.561797	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+H+Na"	23.996494
"1468976"	431.186097	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H+Na"	23.996494
"1060033"	287.793156666667	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2H+Na"	25.00377
"1261711"	871.409186	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+CH3OH+H"	33.033486
"383566"	1715.714558	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+K"	38.963158
"742375"	2554.090258	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+K"	38.963158
"1542240"	877.338858	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+K"	38.963158
"299051"	858.360917	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+H+K"	39.970434
"695120"	1277.548767	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+H+K"	39.970434
"1446021"	439.173067	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H+K"	39.970434
"237175"	1718.785226	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+ACN+H"	42.033826
"1211341"	880.409526	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+ACN+H"	42.033826
"1194980"	440.708401	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+ACN+2H"	43.041102
"189302"	1721.72256	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+2Na-H"	44.97116
"631302"	2560.09826	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+2Na-H"	44.97116
"1134443"	883.34686	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2Na-H"	44.97116
"176278"	861.364918	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+2Na"	45.978436
"616207"	1280.552768	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+2Na"	45.978436
"1119349"	442.177068	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2Na"	45.978436
"1409803"	295.120470666667	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H+2Na"	46.985712
"1441556"	885.388446	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H+HCOOH"	47.012746
"233077"	866.39794	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+3H2O+2H"	56.04448
"1516399"	899.44049	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+IsoProp+H"	61.06479
"421552"	869.351888	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+Na+K"	61.952376
"775989"	1288.539738	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+Na+K"	61.952376
"1673412"	450.164038	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Na+K"	61.952376
"252645"	1740.767168	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+ACN+Na"	64.015768
"1226806"	902.391468	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+ACN+Na"	64.015768
"1712989"	902.414993	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+NH4+HCOOH"	64.039293
"1178857"	302.447784666667	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+3Na"	68.967654
"1650941"	907.370388	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Na+HCOOH"	68.994688
"160358"	1753.67044	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+2K-H"	76.91904
"601011"	2592.04614	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+2K-H"	76.91904
"1087711"	915.29474	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2K-H"	76.91904
"144527"	877.338858	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"2M+2K"	77.926316
"582996"	1296.526708	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"3M+2K"	77.926316
"1068965"	458.151008	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2K"	77.926316
"1100018"	917.309292	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2K+H"	78.933592
"1340385"	917.396907	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+DMSO+H"	79.021207
"1016571"	921.436076	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2ACN+H"	83.060376
"1532509"	922.429708	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+IsoProp+Na+H"	84.054008
"1000050"	461.221676	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+2ACN+2H"	84.067652
"1595646"	923.344328	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+K+HCOOH"	84.968628
"1420213"	953.375838	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+H+CF3COOH"	115.000138
"1154876"	481.734951	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+3ACN+2H"	125.094202
"1700053"	970.402385	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+NH4+CF3COOH"	132.026685
"1636064"	975.35778	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+Na+CF3COOH"	136.98208
"1571717"	991.33172	"C15672"	"Heme O"	"C49H58FeN4O5"	"838.3757"	"M+K+CF3COOH"	152.95602
"813755"	194.0427	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M"	0
"985100"	175.02431	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"71157"	128.354524	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"507435"	193.035424	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"888519"	63.673624	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"2719"	193.035424	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"444464"	290.056774	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"822268"	96.014074	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"87727"	387.078124	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"530569"	581.120824	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"908371"	193.035424	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"59465"	404.104671	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"500119"	598.147371	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"872458"	210.061971	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"36346"	409.060066	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"473718"	603.102766	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"853709"	215.017366	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1623611"	215.017366	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"99044"	211.023763	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"538970"	308.045113	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"930298"	114.002413	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"269586"	423.054802	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"662005"	617.097502	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1274286"	229.012102	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"23896"	425.034006	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"466744"	619.076706	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"839077"	230.991306	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1569980"	230.991306	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"956649"	239.040894	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"376575"	433.083601	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"361344"	447.099251	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1507786"	253.056551	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"972816"	261.022851	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"123302"	229.012102	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"555209"	326.033452	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1031663"	131.990752	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1250146"	272.961585	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1312595"	275.017572	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1328998"	296.999529	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"920055"	307.028286	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1300046"	343.004964	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1377114"	159.030024	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1391329"	177.04	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"293934"	389.092676	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"689637"	583.135376	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1363804"	195.049976	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"139608"	195.049976	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"578800"	292.071326	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1050151"	98.028626	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"218300"	130.369076	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"659903"	195.049976	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1177687"	65.688176	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"439016"	406.119223	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"800740"	600.161923	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1695244"	212.076523	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"344981"	203.5632495	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"735575"	300.5845995	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1485025"	106.5418995	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"397142"	411.074618	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"761419"	605.117318	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1609517"	217.031918	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"320647"	206.040947	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"713068"	303.062297	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1470181"	109.019597	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1058320"	73.01549	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1261821"	227.076186	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"380396"	427.048558	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"742849"	621.091258	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1541986"	233.005858	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"300983"	214.027917	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"695230"	311.049267	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1446617"	117.006567	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"236553"	430.119226	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1211090"	236.076526	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1195211"	118.541901	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"189906"	433.05656	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"630684"	627.09926	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1132732"	239.01386	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"176389"	217.031918	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"618505"	314.053268	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1120552"	120.010568	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1411006"	80.342804	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1439844"	241.055446	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"234645"	222.06494	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1517603"	255.10749	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"422029"	225.018888	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"780472"	322.040238	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1676802"	127.997538	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"254942"	452.101168	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1226555"	258.058468	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1716172"	258.081993	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1180064"	87.670118	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1652514"	263.037388	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"161562"	465.00444	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"604402"	659.04714	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1092196"	270.96174	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"144638"	233.005858	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"584199"	330.027208	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1075273"	135.984508	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1100458"	272.976292	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1340495"	273.063907	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1015588"	277.103076	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1532619"	278.096708	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1000160"	139.055176	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1597944"	279.011328	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1425792"	309.042838	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1154986"	159.568451	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1701256"	326.069385	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1635809"	331.02478	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1572556"	346.99872	"C15673"	"2-Dehydro-L-idonate;2-Dehydro-L-idonic acid;L-Sorbosonate;L-Sorbosonic acid;2-Keto-L-gulonate;2-Keto-L-gulonic acid;L-xylo-Hex-2-ulosonic acid;L-Ketoidonate;L-Ketoidonic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"814957"	487.1963	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M"	0
"981928"	468.17791	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-H2O-H"	-19.01839
"71264"	323.790257333333	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M-3H"	-3.021828
"504992"	486.189024	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M-3H"	-3.021828
"882428"	161.391490666667	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-3H"	-3.021828
"5015"	486.189024	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M-2H"	-2.014552
"442385"	729.787174	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M-2H"	-2.014552
"822378"	242.590874	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-2H"	-2.014552
"87837"	973.385324	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M-H"	-1.007276
"532502"	1460.581624	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M-H"	-1.007276
"906294"	486.189024	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-H"	-1.007276
"59576"	990.411871	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M-2H+NH4"	16.019271
"499136"	1477.608171	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M-2H+NH4"	16.019271
"868922"	503.215571	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-2H+NH4"	16.019271
"34269"	995.367266	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M-2H+Na"	20.974666
"473343"	1482.563566	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M-2H+Na"	20.974666
"851997"	508.170966	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-2H+Na"	20.974666
"1622262"	508.170966	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Na-2H"	20.974666
"95872"	504.177363	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M-H+Cl"	33.962126
"535799"	747.775513	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M-H+Cl"	33.962126
"928950"	260.579213	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-H+Cl"	33.962126
"270424"	1009.362002	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+Cl"	34.969402
"661142"	1496.558302	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+Cl"	34.969402
"1273906"	522.165702	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Cl"	34.969402
"25099"	1011.341206	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M-2H+K"	36.948606
"466854"	1498.537506	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M-2H+K"	36.948606
"840280"	524.144906	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-2H+K"	36.948606
"1569967"	524.144906	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+K-2H"	36.948606
"957770"	532.194494	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-H+HCOOH"	44.998194
"375957"	1019.390801	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+HCOOH-H"	44.998201
"361053"	1033.406451	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+Hac-H"	59.013851
"1506964"	546.210151	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Hac-H"	59.013851
"971224"	554.176451	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-H+NaCOOH"	66.980151
"121226"	522.165702	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+2Cl"	69.938804
"557505"	765.763852	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+2Cl"	69.938804
"1030678"	278.567552	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2Cl"	69.938804
"1250256"	566.115185	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Br"	78.918885
"1311611"	568.171172	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Cl+HCOOH"	80.974872
"1326919"	590.153129	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Cl+NaCOOH"	102.956829
"917978"	600.181886	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M-H+CF3COOH"	112.985586
"1300156"	636.158564	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Cl+CF3COOH"	148.962264
"1377223"	452.183624	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H-2H2O"	-35.012676
"1389252"	470.1936	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H-H2O"	-17.0027
"294406"	975.399876	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+H"	1.007276
"688654"	1462.596176	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+H"	1.007276
"1362455"	488.203576	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H"	1.007276
"138623"	488.203576	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+2H"	2.014552
"573443"	731.801726	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+2H"	2.014552
"1051723"	244.605426	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2H"	2.014552
"218161"	325.804809333333	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+3H"	3.021828
"659709"	488.203576	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+3H"	3.021828
"1177996"	163.406042666667	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+3H"	3.021828
"439807"	992.426423	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+NH4"	18.033823
"800238"	1479.622723	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+NH4"	18.033823
"1696610"	505.230123	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+NH4"	18.033823
"342172"	496.7168495	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+H+NH4"	19.041099
"733499"	740.3149995	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+H+NH4"	19.041099
"1488415"	253.1186995	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H+NH4"	19.041099
"395066"	997.381818	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+Na"	22.989218
"761529"	1484.578118	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+Na"	22.989218
"1611814"	510.185518	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Na"	22.989218
"322944"	499.194547	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+H+Na"	23.996494
"714272"	742.792697	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+H+Na"	23.996494
"1468102"	255.596397	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H+Na"	23.996494
"1055150"	170.733356666667	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2H+Na"	25.00377
"1257919"	520.229786	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+CH3OH+H"	33.033486
"378317"	1013.355758	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+K"	38.963158
"740043"	1500.552058	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+K"	38.963158
"1540390"	526.159458	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+K"	38.963158
"299270"	507.181517	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+H+K"	39.970434
"693514"	750.779667	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+H+K"	39.970434
"1445998"	263.583367	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H+K"	39.970434
"236301"	1016.426426	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+ACN+H"	42.033826
"1210833"	529.230126	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+ACN+H"	42.033826
"1194362"	265.118701	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+ACN+2H"	43.041102
"189044"	1019.36376	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+2Na-H"	44.97116
"631887"	1506.56006	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+2Na-H"	44.97116
"1133571"	532.16746	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2Na-H"	44.97116
"175405"	510.185518	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+2Na"	45.978436
"620436"	753.783668	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+2Na"	45.978436
"1118108"	266.587368	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2Na"	45.978436
"1400537"	178.060670666667	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H+2Na"	46.985712
"1433019"	534.209046	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H+HCOOH"	47.012746
"234023"	515.21854	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+3H2O+2H"	56.04448
"1517713"	548.26109	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+IsoProp+H"	61.06479
"421410"	518.172488	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+Na+K"	61.952376
"780582"	761.770638	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+Na+K"	61.952376
"1676912"	274.574338	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Na+K"	61.952376
"254688"	1038.408368	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+ACN+Na"	64.015768
"1226784"	551.212068	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+ACN+Na"	64.015768
"1715189"	551.235593	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+NH4+HCOOH"	64.039293
"1179933"	185.387984666667	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+3Na"	68.967654
"1651042"	556.190988	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Na+HCOOH"	68.994688
"159484"	1051.31164	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+2K-H"	76.91904
"603418"	1538.50794	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+2K-H"	76.91904
"1089025"	564.11534	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2K-H"	76.91904
"146934"	526.159458	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"2M+2K"	77.926316
"582725"	769.757608	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"3M+2K"	77.926316
"1075383"	282.561308	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2K"	77.926316
"1101419"	566.129892	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2K+H"	78.933592
"1340605"	566.217507	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+DMSO+H"	79.021207
"1018978"	570.256676	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2ACN+H"	83.060376
"1533822"	571.250308	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+IsoProp+Na+H"	84.054008
"1000270"	285.631976	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+2ACN+2H"	84.067652
"1599147"	572.164928	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+K+HCOOH"	84.968628
"1425902"	602.196438	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+H+CF3COOH"	115.000138
"1151816"	306.145251	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+3ACN+2H"	125.094202
"1700273"	619.222985	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+NH4+CF3COOH"	132.026685
"1635919"	624.17838	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+Na+CF3COOH"	136.98208
"1572666"	640.15232	"C15674"	"Myxothiazol A"	"C25H33N3O3S2"	"487.1963"	"M+K+CF3COOH"	152.95602
"812881"	502.196	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M"	0
"982038"	483.17761	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-H2O-H"	-19.01839
"70282"	333.790057333333	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M-3H"	-3.021828
"507654"	501.188724	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M-3H"	-3.021828
"886548"	166.391390666667	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-3H"	-3.021828
"7311"	501.188724	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M-2H"	-2.014552
"443591"	752.286724	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M-2H"	-2.014552
"824675"	250.090724	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-2H"	-2.014552
"91229"	1003.384724	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M-H"	-1.007276
"531883"	1505.580724	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M-H"	-1.007276
"905312"	501.188724	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-H"	-1.007276
"58593"	1020.411271	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M-2H+NH4"	16.019271
"500340"	1522.607271	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M-2H+NH4"	16.019271
"865751"	518.215271	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-2H+NH4"	16.019271
"36203"	1025.366666	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M-2H+Na"	20.974666
"473940"	1527.562666	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M-2H+Na"	20.974666
"849313"	523.170666	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-2H+Na"	20.974666
"1621279"	523.170666	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Na-2H"	20.974666
"94457"	519.177063	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M-H+Cl"	33.962126
"534491"	770.275063	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M-H+Cl"	33.962126
"927398"	268.079063	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-H+Cl"	33.962126
"267495"	1039.361402	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+Cl"	34.969402
"660765"	1541.557402	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+Cl"	34.969402
"1273021"	537.165402	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Cl"	34.969402
"17187"	1041.340606	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M-2H+K"	36.948606
"459304"	1543.536606	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M-2H+K"	36.948606
"841483"	539.144606	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-2H+K"	36.948606
"1567161"	539.144606	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+K-2H"	36.948606
"956505"	547.194194	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-H+HCOOH"	44.998194
"376178"	1049.390201	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+HCOOH-H"	44.998201
"359697"	1063.405851	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+Hac-H"	59.013851
"1508368"	561.209851	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Hac-H"	59.013851
"974182"	569.176151	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-H+NaCOOH"	66.980151
"125558"	537.165402	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+2Cl"	69.938804
"560896"	788.263402	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+2Cl"	69.938804
"1029694"	286.067402	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2Cl"	69.938804
"1249272"	581.114885	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Br"	78.918885
"1313908"	583.170872	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Cl+HCOOH"	80.974872
"1325936"	605.152829	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Cl+NaCOOH"	102.956829
"918088"	615.181586	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M-H+CF3COOH"	112.985586
"1300266"	651.158264	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Cl+CF3COOH"	148.962264
"1376240"	467.183324	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H-2H2O"	-35.012676
"1391549"	485.1933	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H-H2O"	-17.0027
"296704"	1005.399276	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+H"	1.007276
"688401"	1507.595276	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+H"	1.007276
"1363660"	503.203276	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H"	1.007276
"139828"	503.203276	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+2H"	2.014552
"578659"	754.301276	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+2H"	2.014552
"1051103"	252.105276	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2H"	2.014552
"218274"	335.804609333333	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+3H"	3.021828
"658563"	503.203276	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+3H"	3.021828
"1177301"	168.405942666667	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+3H"	3.021828
"439355"	1022.425823	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+NH4"	18.033823
"799863"	1524.621823	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+NH4"	18.033823
"1696192"	520.229823	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+NH4"	18.033823
"342282"	511.7165495	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+H+NH4"	19.041099
"730329"	762.8145495	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+H+NH4"	19.041099
"1488526"	260.6185495	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H+NH4"	19.041099
"394446"	1027.381218	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+Na"	22.989218
"755440"	1529.577218	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+Na"	22.989218
"1603053"	525.185218	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Na"	22.989218
"316491"	514.194247	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+H+Na"	23.996494
"710005"	765.292247	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+H+Na"	23.996494
"1467117"	263.096247	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H+Na"	23.996494
"1053191"	175.733256666667	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2H+Na"	25.00377
"1257787"	535.229486	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+CH3OH+H"	33.033486
"377700"	1043.355158	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+K"	38.963158
"739180"	1545.551158	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+K"	38.963158
"1542206"	541.159158	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+K"	38.963158
"301203"	522.181217	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+H+K"	39.970434
"693264"	773.279217	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+H+K"	39.970434
"1446352"	271.083217	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H+K"	39.970434
"236078"	1046.425826	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+ACN+H"	42.033826
"1213497"	544.229826	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+ACN+H"	42.033826
"1194189"	272.618551	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+ACN+2H"	43.041102
"189521"	1049.36316	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+2Na-H"	44.97116
"629812"	1551.55916	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+2Na-H"	44.97116
"1132589"	547.16716	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2Na-H"	44.97116
"175515"	525.185218	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+2Na"	45.978436
"619818"	776.283218	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+2Na"	45.978436
"1118217"	274.087218	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2Na"	45.978436
"1399918"	183.060570666667	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H+2Na"	46.985712
"1432764"	549.208746	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H+HCOOH"	47.012746
"230853"	530.21824	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+3H2O+2H"	56.04448
"1518916"	563.26079	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+IsoProp+H"	61.06479
"422611"	533.172188	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+Na+K"	61.952376
"779600"	784.270188	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+Na+K"	61.952376
"1675929"	282.074188	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Na+K"	61.952376
"251999"	1068.407768	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+ACN+Na"	64.015768
"1231151"	566.211768	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+ACN+Na"	64.015768
"1718579"	566.235293	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+NH4+HCOOH"	64.039293
"1182840"	190.387884666667	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+3Na"	68.967654
"1652368"	571.190688	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Na+HCOOH"	68.994688
"158009"	1081.31104	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+2K-H"	76.91904
"598303"	1583.50704	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+2K-H"	76.91904
"1090228"	579.11504	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2K-H"	76.91904
"144128"	541.159158	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"2M+2K"	77.926316
"583323"	792.257158	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"3M+2K"	77.926316
"1073306"	290.061158	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2K"	77.926316
"1102502"	581.129592	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2K+H"	78.933592
"1341808"	581.217207	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+DMSO+H"	79.021207
"1020060"	585.256376	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2ACN+H"	83.060376
"1533932"	586.250008	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+IsoProp+Na+H"	84.054008
"1000380"	293.131826	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+2ACN+2H"	84.067652
"1599257"	587.164628	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+K+HCOOH"	84.968628
"1426012"	617.196138	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+H+CF3COOH"	115.000138
"1149739"	313.645101	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+3ACN+2H"	125.094202
"1700383"	634.222685	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+NH4+CF3COOH"	132.026685
"1635665"	639.17808	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+Na+CF3COOH"	136.98208
"1572779"	655.15202	"C15675"	"Myxothiazol Z"	"C26H34N2O4S2"	"502.196"	"M+K+CF3COOH"	152.95602
"814085"	436.2322	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M"	0
"981055"	417.21381	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-H2O-H"	-19.01839
"72578"	289.814190666667	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M-3H"	-3.021828
"509951"	435.224924	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M-3H"	-3.021828
"887752"	144.403457333333	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-3H"	-3.021828
"9607"	435.224924	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M-2H"	-2.014552
"445887"	653.341024	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M-2H"	-2.014552
"824785"	217.108824	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-2H"	-2.014552
"90245"	871.457124	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M-H"	-1.007276
"532847"	1307.689324	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M-H"	-1.007276
"905421"	435.224924	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-H"	-1.007276
"58702"	888.483671	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M-2H+NH4"	16.019271
"499356"	1324.715871	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M-2H+NH4"	16.019271
"869508"	452.251471	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-2H+NH4"	16.019271
"37407"	893.439066	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M-2H+Na"	20.974666
"479153"	1329.671266	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M-2H+Na"	20.974666
"849667"	457.206866	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-2H+Na"	20.974666
"1619241"	457.206866	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Na-2H"	20.974666
"95731"	453.213263	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M-H+Cl"	33.962126
"535291"	671.329363	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M-H+Cl"	33.962126
"928439"	235.097163	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-H+Cl"	33.962126
"268095"	907.433802	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+Cl"	34.969402
"661606"	1343.666002	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+Cl"	34.969402
"1275105"	471.201602	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Cl"	34.969402
"16930"	909.413006	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M-2H+K"	36.948606
"459415"	1345.645206	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M-2H+K"	36.948606
"840500"	473.180806	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-2H+K"	36.948606
"1567271"	473.180806	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+K-2H"	36.948606
"952966"	481.230394	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-H+HCOOH"	44.998194
"374100"	917.462601	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+HCOOH-H"	44.998201
"358713"	931.478251	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+Hac-H"	59.013851
"1508374"	495.246051	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Hac-H"	59.013851
"974008"	503.212351	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-H+NaCOOH"	66.980151
"125504"	471.201602	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+2Cl"	69.938804
"565509"	689.317702	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+2Cl"	69.938804
"1028712"	253.085502	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2Cl"	69.938804
"1249382"	515.151085	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Br"	78.918885
"1312925"	517.207072	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Cl+HCOOH"	80.974872
"1326046"	539.189029	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Cl+NaCOOH"	102.956829
"918198"	549.217786	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M-H+CF3COOH"	112.985586
"1300012"	585.194464	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Cl+CF3COOH"	148.962264
"1376350"	401.219524	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H-2H2O"	-35.012676
"1391659"	419.2295	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H-H2O"	-17.0027
"296814"	873.471676	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+H"	1.007276
"687049"	1309.703876	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+H"	1.007276
"1362675"	437.239476	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H"	1.007276
"138844"	437.239476	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+2H"	2.014552
"579499"	655.355576	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+2H"	2.014552
"1051207"	219.123376	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2H"	2.014552
"217651"	291.828742666667	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+3H"	3.021828
"659888"	437.239476	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+3H"	3.021828
"1176795"	146.418009333333	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+3H"	3.021828
"439226"	890.498223	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+NH4"	18.033823
"800703"	1326.730423	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+NH4"	18.033823
"1694112"	454.266023	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+NH4"	18.033823
"342392"	445.7527495	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+H+NH4"	19.041099
"731533"	663.8688495	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+H+NH4"	19.041099
"1486449"	227.6366495	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H+NH4"	19.041099
"395286"	895.453618	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+Na"	22.989218
"760654"	1331.685818	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+Na"	22.989218
"1607660"	459.221418	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Na"	22.989218
"318789"	448.230447	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+H+Na"	23.996494
"711208"	666.346547	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+H+Na"	23.996494
"1463948"	230.114347	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H+Na"	23.996494
"1052905"	153.745323333333	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2H+Na"	25.00377
"1257533"	469.265686	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+CH3OH+H"	33.033486
"377484"	911.427558	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+K"	38.963158
"743180"	1347.659758	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+K"	38.963158
"1541951"	475.195358	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+K"	38.963158
"299126"	456.217417	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+H+K"	39.970434
"694101"	674.333517	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+H+K"	39.970434
"1447192"	238.101317	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H+K"	39.970434
"237617"	914.498226	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+ACN+H"	42.033826
"1216524"	478.266026	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+ACN+H"	42.033826
"1196760"	239.636651	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+ACN+2H"	43.041102
"189872"	917.43556	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+2Na-H"	44.97116
"628947"	1353.66776	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+2Na-H"	44.97116
"1131725"	481.20336	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2Na-H"	44.97116
"174532"	459.221418	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+2Na"	45.978436
"615187"	677.337518	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+2Na"	45.978436
"1116867"	241.105318	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2Na"	45.978436
"1400756"	161.072637333333	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H+2Na"	46.985712
"1431048"	483.244946	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H+HCOOH"	47.012746
"225495"	464.25444	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+3H2O+2H"	56.04448
"1511373"	497.29699	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+IsoProp+H"	61.06479
"415431"	467.208388	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+Na+K"	61.952376
"775336"	685.324488	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+Na+K"	61.952376
"1669479"	249.092288	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Na+K"	61.952376
"251530"	936.480168	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+ACN+Na"	64.015768
"1227981"	500.247968	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+ACN+Na"	64.015768
"1714316"	500.271493	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+NH4+HCOOH"	64.039293
"1182221"	168.399951333333	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+3Na"	68.967654
"1652114"	505.226888	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Na+HCOOH"	68.994688
"159704"	949.38344	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+2K-H"	76.91904
"598171"	1385.61564	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+2K-H"	76.91904
"1089245"	513.15124	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2K-H"	76.91904
"144238"	475.195358	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"2M+2K"	77.926316
"583797"	693.311458	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"3M+2K"	77.926316
"1072323"	257.079258	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2K"	77.926316
"1100910"	515.165792	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2K+H"	78.933592
"1340825"	515.253407	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+DMSO+H"	79.021207
"1018105"	519.292576	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2ACN+H"	83.060376
"1534042"	520.286208	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+IsoProp+Na+H"	84.054008
"1000490"	260.149926	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+2ACN+2H"	84.067652
"1598274"	521.200828	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+K+HCOOH"	84.968628
"1426122"	551.232338	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+H+CF3COOH"	115.000138
"1155316"	280.663201	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+3ACN+2H"	125.094202
"1702680"	568.258885	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+NH4+CF3COOH"	132.026685
"1637234"	573.21428	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+Na+CF3COOH"	136.98208
"1572889"	589.18822	"C15676"	"HC-toxin"	"C21H32N4O6"	"436.2322"	"M+K+CF3COOH"	152.95602
"814194"	510.0953	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M"	0
"983352"	491.07691	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-H2O-H"	-19.01839
"69407"	339.056257333333	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M-3H"	-3.021828
"508968"	509.088024	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M-3H"	-3.021828
"886769"	169.024490666667	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-3H"	-3.021828
"8624"	509.088024	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M-2H"	-2.014552
"445998"	764.135674	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M-2H"	-2.014552
"824895"	254.040374	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-2H"	-2.014552
"90355"	1019.183324	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M-H"	-1.007276
"531619"	1529.278624	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M-H"	-1.007276
"905532"	509.088024	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-H"	-1.007276
"57719"	1036.209871	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M-2H+NH4"	16.019271
"498373"	1546.305171	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M-2H+NH4"	16.019271
"867794"	526.114571	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-2H+NH4"	16.019271
"37517"	1041.165266	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M-2H+Na"	20.974666
"481450"	1551.260566	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M-2H+Na"	20.974666
"849289"	531.069966	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-2H+Na"	20.974666
"1618947"	531.069966	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Na-2H"	20.974666
"95837"	527.076363	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M-H+Cl"	33.962126
"534712"	782.124013	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M-H+Cl"	33.962126
"928184"	272.028713	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-H+Cl"	33.962126
"268562"	1055.160002	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+Cl"	34.969402
"661347"	1565.255302	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+Cl"	34.969402
"1273752"	545.064702	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Cl"	34.969402
"16474"	1057.139206	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M-2H+K"	36.948606
"460618"	1567.234506	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M-2H+K"	36.948606
"841703"	547.043906	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-2H+K"	36.948606
"1564097"	547.043906	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+K-2H"	36.948606
"953805"	555.093494	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-H+HCOOH"	44.998194
"374574"	1065.188801	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+HCOOH-H"	44.998201
"358459"	1079.204451	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+Hac-H"	59.013851
"1507667"	569.109151	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Hac-H"	59.013851
"972898"	577.075451	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-H+NaCOOH"	66.980151
"125325"	545.064702	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+2Cl"	69.938804
"564890"	800.112352	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+2Cl"	69.938804
"1028822"	290.017052	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2Cl"	69.938804
"1249492"	589.014185	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Br"	78.918885
"1314129"	591.070172	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Cl+HCOOH"	80.974872
"1325063"	613.052129	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Cl+NaCOOH"	102.956829
"918308"	623.080886	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M-H+CF3COOH"	112.985586
"1298301"	659.057564	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Cl+CF3COOH"	148.962264
"1375367"	475.082624	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H-2H2O"	-35.012676
"1393592"	493.0926	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H-H2O"	-17.0027
"296560"	1021.197876	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+H"	1.007276
"683879"	1531.293176	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+H"	1.007276
"1363514"	511.102576	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H"	1.007276
"139683"	511.102576	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+2H"	2.014552
"580659"	766.150226	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+2H"	2.014552
"1049861"	256.054926	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2H"	2.014552
"217033"	341.070809333333	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+3H"	3.021828
"659673"	511.102576	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+3H"	3.021828
"1176177"	171.039042666667	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+3H"	3.021828
"439573"	1038.224423	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+NH4"	18.033823
"800808"	1548.319723	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+NH4"	18.033823
"1693129"	528.129123	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+NH4"	18.033823
"341409"	519.6158495	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+H+NH4"	19.041099
"729455"	774.6634995	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+H+NH4"	19.041099
"1483279"	264.5681995	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H+NH4"	19.041099
"397583"	1043.179818	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+Na"	22.989218
"759670"	1553.275118	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+Na"	22.989218
"1611050"	533.084518	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Na"	22.989218
"321085"	522.093547	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+H+Na"	23.996494
"713505"	777.141197	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+H+Na"	23.996494
"1466245"	267.045897	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H+Na"	23.996494
"1053165"	178.366356666667	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2H+Na"	25.00377
"1259710"	543.128786	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+CH3OH+H"	33.033486
"378647"	1059.153758	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+K"	38.963158
"742561"	1569.249058	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+K"	38.963158
"1540601"	549.058458	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+K"	38.963158
"299357"	530.080517	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+H+K"	39.970434
"693846"	785.128167	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+H+K"	39.970434
"1447302"	275.032867	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H+K"	39.970434
"238091"	1062.224426	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+ACN+H"	42.033826
"1214811"	552.129126	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+ACN+H"	42.033826
"1195166"	276.568201	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+ACN+2H"	43.041102
"196304"	1065.16176	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+2Na-H"	44.97116
"630390"	1575.25706	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+2Na-H"	44.97116
"1131834"	555.06646	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2Na-H"	44.97116
"174277"	533.084518	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+2Na"	45.978436
"613514"	788.132168	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+2Na"	45.978436
"1117341"	278.036868	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2Na"	45.978436
"1400862"	185.693670666667	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H+2Na"	46.985712
"1431886"	557.108046	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H+HCOOH"	47.012746
"222323"	538.11754	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+3H2O+2H"	56.04448
"1513669"	571.16009	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+IsoProp+H"	61.06479
"415541"	541.071488	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+Na+K"	61.952376
"774353"	796.119138	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+Na+K"	61.952376
"1669589"	286.023838	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Na+K"	61.952376
"251891"	1084.206368	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+ACN+Na"	64.015768
"1227727"	574.111068	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+ACN+Na"	64.015768
"1714426"	574.134593	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+NH4+HCOOH"	64.039293
"1182331"	193.020984666667	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+3Na"	68.967654
"1652953"	579.089988	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Na+HCOOH"	68.994688
"158721"	1097.10964	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+2K-H"	76.91904
"597914"	1607.20494	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+2K-H"	76.91904
"1086073"	587.01434	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2K-H"	76.91904
"142890"	549.058458	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"2M+2K"	77.926316
"583543"	804.106108	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"3M+2K"	77.926316
"1069755"	294.010808	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2K"	77.926316
"1101020"	589.028892	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2K+H"	78.933592
"1339838"	589.116507	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+DMSO+H"	79.021207
"1014933"	593.155676	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2ACN+H"	83.060376
"1527591"	594.149308	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+IsoProp+Na+H"	84.054008
"998413"	297.081476	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+2ACN+2H"	84.067652
"1598384"	595.063928	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+K+HCOOH"	84.968628
"1426232"	625.095438	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+H+CF3COOH"	115.000138
"1155426"	317.594751	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+3ACN+2H"	125.094202
"1702790"	642.121985	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+NH4+CF3COOH"	132.026685
"1635157"	647.07738	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+Na+CF3COOH"	136.98208
"1572999"	663.05132	"C15677"	"Leinamycin"	"C22H26N2O6S3"	"510.0953"	"M+K+CF3COOH"	152.95602
"817070"	700.367	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M"	0
"983462"	681.34861	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-H2O-H"	-19.01839
"72798"	465.904057333333	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M-3H"	-3.021828
"513452"	699.359724	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M-3H"	-3.021828
"887972"	232.448390666667	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-3H"	-3.021828
"6547"	699.359724	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M-2H"	-2.014552
"445014"	1049.543224	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M-2H"	-2.014552
"825005"	349.176224	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-2H"	-2.014552
"90465"	1399.726724	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M-H"	-1.007276
"533879"	2100.093724	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M-H"	-1.007276
"905641"	699.359724	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-H"	-1.007276
"62087"	1416.753271	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M-2H+NH4"	16.019271
"501888"	2117.120271	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M-2H+NH4"	16.019271
"874100"	716.386271	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-2H+NH4"	16.019271
"44187"	1421.708666	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M-2H+Na"	20.974666
"484840"	2122.075666	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M-2H+Na"	20.974666
"851710"	721.341666	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-2H+Na"	20.974666
"1623432"	721.341666	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Na-2H"	20.974666
"98137"	717.348063	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M-H+Cl"	33.962126
"542801"	1067.531563	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M-H+Cl"	33.962126
"929028"	367.164563	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-H+Cl"	33.962126
"272687"	1435.703402	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+Cl"	34.969402
"660732"	2136.070402	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+Cl"	34.969402
"1276418"	735.336402	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Cl"	34.969402
"16424"	1437.682606	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M-2H+K"	36.948606
"456592"	2138.049606	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M-2H+K"	36.948606
"838534"	737.315606	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-2H+K"	36.948606
"1562021"	737.315606	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+K-2H"	36.948606
"956102"	745.365194	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-H+HCOOH"	44.998194
"374319"	1445.732201	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+HCOOH-H"	44.998201
"359177"	1459.747851	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+Hac-H"	59.013851
"1508140"	759.380851	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Hac-H"	59.013851
"974181"	767.347151	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-H+NaCOOH"	66.980151
"123493"	735.336402	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+2Cl"	69.938804
"565246"	1085.519902	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+2Cl"	69.938804
"1032212"	385.152902	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2Cl"	69.938804
"1251790"	779.285885	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Br"	78.918885
"1312052"	781.341872	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Cl+HCOOH"	80.974872
"1327360"	803.323829	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Cl+NaCOOH"	102.956829
"920606"	813.352586	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M-H+CF3COOH"	112.985586
"1297313"	849.329264	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Cl+CF3COOH"	148.962264
"1377664"	665.354324	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H-2H2O"	-35.012676
"1390786"	683.3643	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H-H2O"	-17.0027
"289378"	1401.741276	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+H"	1.007276
"686905"	2102.108276	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+H"	1.007276
"1362165"	701.374276	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H"	1.007276
"138334"	701.374276	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+2H"	2.014552
"578988"	1051.557776	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+2H"	2.014552
"1052159"	351.190776	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2H"	2.014552
"219783"	467.918609333333	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+3H"	3.021828
"659874"	701.374276	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+3H"	3.021828
"1178405"	234.462942666667	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+3H"	3.021828
"439954"	1418.767823	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+NH4"	18.033823
"801278"	2119.134823	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+NH4"	18.033823
"1695062"	718.400823	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+NH4"	18.033823
"343705"	709.8875495	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+H+NH4"	19.041099
"733939"	1060.0710495	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+H+NH4"	19.041099
"1491043"	359.7040495	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H+NH4"	19.041099
"403160"	1423.723218	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+Na"	22.989218
"764154"	2124.090218	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+Na"	22.989218
"1615534"	723.356218	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Na"	22.989218
"324477"	712.365247	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+H+Na"	23.996494
"714708"	1062.548747	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+H+Na"	23.996494
"1466356"	362.181747	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H+Na"	23.996494
"1055591"	241.790256666667	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2H+Na"	25.00377
"1259094"	733.400486	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+CH3OH+H"	33.033486
"386416"	1439.697158	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+K"	38.963158
"741941"	2140.064158	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+K"	38.963158
"1546184"	739.330158	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+K"	38.963158
"307732"	720.352217	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+H+K"	39.970434
"697240"	1070.535717	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+H+K"	39.970434
"1452882"	370.168717	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H+K"	39.970434
"241484"	1442.767826	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+ACN+H"	42.033826
"1218568"	742.400826	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+ACN+H"	42.033826
"1203544"	371.704051	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+ACN+2H"	43.041102
"201152"	1445.70516	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+2Na-H"	44.97116
"630503"	2146.07216	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+2Na-H"	44.97116
"1132794"	745.33816	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2Na-H"	44.97116
"175844"	723.356218	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+2Na"	45.978436
"616498"	1073.539718	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+2Na"	45.978436
"1117811"	373.172718	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2Na"	45.978436
"1400002"	249.117570666667	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H+2Na"	46.985712
"1435644"	747.379746	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H+HCOOH"	47.012746
"225710"	728.38924	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+3H2O+2H"	56.04448
"1513779"	761.43179	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+IsoProp+H"	61.06479
"416745"	731.343188	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+Na+K"	61.952376
"775557"	1081.526688	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+Na+K"	61.952376
"1670793"	381.159688	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Na+K"	61.952376
"251798"	1464.749768	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+ACN+Na"	64.015768
"1228930"	764.382768	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+ACN+Na"	64.015768
"1714898"	764.406293	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+NH4+HCOOH"	64.039293
"1182075"	256.444884666667	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+3Na"	68.967654
"1654156"	769.361688	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Na+HCOOH"	68.994688
"158465"	1477.65304	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+2K-H"	76.91904
"598876"	2178.02004	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+2K-H"	76.91904
"1086183"	777.28604	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2K-H"	76.91904
"143363"	739.330158	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"2M+2K"	77.926316
"582924"	1089.513658	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"3M+2K"	77.926316
"1069987"	389.146658	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2K"	77.926316
"1099983"	779.300592	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2K+H"	78.933592
"1335930"	779.388207	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+DMSO+H"	79.021207
"1009571"	783.427376	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2ACN+H"	83.060376
"1527697"	784.421008	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+IsoProp+Na+H"	84.054008
"996335"	392.217326	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+2ACN+2H"	84.067652
"1591932"	785.335628	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+K+HCOOH"	84.968628
"1420873"	815.367138	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+H+CF3COOH"	115.000138
"1153349"	412.730601	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+3ACN+2H"	125.094202
"1701806"	832.393685	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+NH4+CF3COOH"	132.026685
"1634493"	837.34908	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+Na+CF3COOH"	136.98208
"1573109"	853.32302	"C15678"	"Chalcomycin"	"C35H56O14"	"700.367"	"M+K+CF3COOH"	152.95602
"811134"	832.482	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M"	0
"983572"	813.46361	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-H2O-H"	-19.01839
"69627"	553.980724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M-3H"	-3.021828
"508094"	831.474724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M-3H"	-3.021828
"883708"	276.486724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-3H"	-3.021828
"5562"	831.474724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M-2H"	-2.014552
"442937"	1247.715724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M-2H"	-2.014552
"825115"	415.233724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-2H"	-2.014552
"87293"	1663.956724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M-H"	-1.007276
"527948"	2496.438724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M-H"	-1.007276
"900282"	831.474724	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-H"	-1.007276
"62195"	1680.983271	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M-2H+NH4"	16.019271
"496405"	2513.465271	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M-2H+NH4"	16.019271
"878585"	848.501271	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-2H+NH4"	16.019271
"45392"	1685.938666	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M-2H+Na"	20.974666
"484950"	2518.420666	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M-2H+Na"	20.974666
"853279"	853.456666	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-2H+Na"	20.974666
"1630833"	853.456666	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Na-2H"	20.974666
"103351"	849.463063	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M-H+Cl"	33.962126
"544005"	1265.704063	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M-H+Cl"	33.962126
"937521"	433.222063	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-H+Cl"	33.962126
"276077"	1699.933402	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+Cl"	34.969402
"668499"	2532.415402	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+Cl"	34.969402
"1275434"	867.451402	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Cl"	34.969402
"18115"	1701.912606	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M-2H+K"	36.948606
"457553"	2534.394606	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M-2H+K"	36.948606
"841924"	869.430606	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-2H+K"	36.948606
"1562131"	869.430606	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+K-2H"	36.948606
"958281"	877.480194	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-H+HCOOH"	44.998194
"376980"	1709.962201	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+HCOOH-H"	44.998201
"360748"	1723.977851	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+Hac-H"	59.013851
"1508327"	891.495851	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Hac-H"	59.013851
"972511"	899.462151	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-H+NaCOOH"	66.980151
"125193"	867.451402	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+2Cl"	69.938804
"564623"	1283.692402	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+2Cl"	69.938804
"1036338"	451.210402	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2Cl"	69.938804
"1256280"	911.400885	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Br"	78.918885
"1314350"	913.456872	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Cl+HCOOH"	80.974872
"1332212"	935.438829	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Cl+NaCOOH"	102.956829
"922904"	945.467586	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M-H+CF3COOH"	112.985586
"1299612"	981.444264	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Cl+CF3COOH"	148.962264
"1377774"	797.469324	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H-2H2O"	-35.012676
"1395271"	815.4793	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H-H2O"	-17.0027
"291675"	1665.971276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+H"	1.007276
"685193"	2498.453276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+H"	1.007276
"1364097"	833.489276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H"	1.007276
"141000"	833.489276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+2H"	2.014552
"579830"	1249.730276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+2H"	2.014552
"1051912"	417.248276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2H"	2.014552
"219689"	555.995276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+3H"	3.021828
"658643"	833.489276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+3H"	3.021828
"1176649"	278.501276	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+3H"	3.021828
"438583"	1682.997823	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+NH4"	18.033823
"798850"	2515.479823	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+NH4"	18.033823
"1696517"	850.515823	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+NH4"	18.033823
"345517"	842.0025495	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+H+NH4"	19.041099
"736238"	1258.2435495	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+H+NH4"	19.041099
"1489329"	425.7615495	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H+NH4"	19.041099
"404363"	1687.953218	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+Na"	22.989218
"766452"	2520.435218	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+Na"	22.989218
"1612365"	855.471218	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Na"	22.989218
"328599"	844.480247	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+H+Na"	23.996494
"714821"	1260.721247	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+H+Na"	23.996494
"1470840"	428.239247	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H+Na"	23.996494
"1061899"	285.82859	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2H+Na"	25.00377
"1264671"	865.515486	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+CH3OH+H"	33.033486
"388712"	1703.927158	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+K"	38.963158
"745334"	2536.409158	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+K"	38.963158
"1549574"	871.445158	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+K"	38.963158
"311122"	852.467217	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+H+K"	39.970434
"700265"	1268.708217	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+H+K"	39.970434
"1452995"	436.226217	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H+K"	39.970434
"245968"	1706.997826	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+ACN+H"	42.033826
"1220865"	874.515826	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+ACN+H"	42.033826
"1205841"	437.761551	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+ACN+2H"	43.041102
"202234"	1709.93516	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+2Na-H"	44.97116
"634264"	2542.41716	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+2Na-H"	44.97116
"1139956"	877.45316	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2Na-H"	44.97116
"174254"	855.471218	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+2Na"	45.978436
"614788"	1271.712218	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+2Na"	45.978436
"1118294"	439.230218	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2Na"	45.978436
"1399869"	293.155904	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H+2Na"	46.985712
"1433566"	879.494746	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H+HCOOH"	47.012746
"225820"	860.50424	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+3H2O+2H"	56.04448
"1518263"	893.54679	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+IsoProp+H"	61.06479
"419772"	863.458188	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+Na+K"	61.952376
"779676"	1279.699188	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+Na+K"	61.952376
"1676006"	447.217188	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Na+K"	61.952376
"255238"	1728.979768	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+ACN+Na"	64.015768
"1229041"	896.497768	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+ACN+Na"	64.015768
"1719020"	896.521293	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+NH4+HCOOH"	64.039293
"1180365"	300.483218	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+3Na"	68.967654
"1652444"	901.476688	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Na+HCOOH"	68.994688
"158575"	1741.88304	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+2K-H"	76.91904
"597771"	2574.36504	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+2K-H"	76.91904
"1085563"	909.40104	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2K-H"	76.91904
"142500"	871.445158	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"2M+2K"	77.926316
"582299"	1287.686158	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"3M+2K"	77.926316
"1069001"	455.204158	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2K"	77.926316
"1100508"	911.415592	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2K+H"	78.933592
"1335917"	911.503207	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+DMSO+H"	79.021207
"1006515"	915.542376	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2ACN+H"	83.060376
"1524561"	916.536008	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+IsoProp+Na+H"	84.054008
"995350"	458.274826	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+2ACN+2H"	84.067652
"1588758"	917.450628	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+K+HCOOH"	84.968628
"1417700"	947.482138	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+H+CF3COOH"	115.000138
"1152362"	478.788101	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+3ACN+2H"	125.094202
"1700821"	964.508685	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+NH4+CF3COOH"	132.026685
"1634525"	969.46408	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+Na+CF3COOH"	136.98208
"1574312"	985.43802	"C15679"	"Lankamycin"	"C42H72O16"	"832.482"	"M+K+CF3COOH"	152.95602
"813431"	727.4143	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M"	0
"981495"	708.39591	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-H2O-H"	-19.01839
"66457"	483.935590666667	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M-3H"	-3.021828
"507111"	726.407024	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M-3H"	-3.021828
"886006"	241.464157333333	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-3H"	-3.021828
"6769"	726.407024	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M-2H"	-2.014552
"442318"	1090.114174	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M-2H"	-2.014552
"821945"	362.699874	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-2H"	-2.014552
"86310"	1453.821324	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M-H"	-1.007276
"525871"	2181.235624	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M-H"	-1.007276
"898569"	726.407024	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-H"	-1.007276
"59142"	1470.847871	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M-2H+NH4"	16.019271
"496515"	2198.262171	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M-2H+NH4"	16.019271
"876506"	743.433571	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-2H+NH4"	16.019271
"42221"	1475.803266	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M-2H+Na"	20.974666
"476680"	2203.217566	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M-2H+Na"	20.974666
"851931"	748.388966	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-2H+Na"	20.974666
"1621830"	748.388966	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Na-2H"	20.974666
"102368"	744.395363	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M-H+Cl"	33.962126
"541929"	1108.102513	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M-H+Cl"	33.962126
"939816"	380.688213	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-H+Cl"	33.962126
"276187"	1489.798002	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+Cl"	34.969402
"661077"	2217.212302	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+Cl"	34.969402
"1279917"	762.383702	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Cl"	34.969402
"16480"	1491.777206	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M-2H+K"	36.948606
"456569"	2219.191506	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M-2H+K"	36.948606
"835467"	764.362906	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-2H+K"	36.948606
"1565520"	764.362906	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+K-2H"	36.948606
"953407"	772.412494	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-H+HCOOH"	44.998194
"377092"	1499.826801	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+HCOOH-H"	44.998201
"360939"	1513.842451	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+Hac-H"	59.013851
"1507809"	786.428151	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Hac-H"	59.013851
"973595"	794.394451	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-H+NaCOOH"	66.980151
"125431"	762.383702	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+2Cl"	69.938804
"565344"	1126.090852	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+2Cl"	69.938804
"1035353"	398.676552	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2Cl"	69.938804
"1255661"	806.333185	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Br"	78.918885
"1316651"	808.389172	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Cl+HCOOH"	80.974872
"1333053"	830.371129	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Cl+NaCOOH"	102.956829
"921921"	840.399886	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M-H+CF3COOH"	112.985586
"1301181"	876.376564	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Cl+CF3COOH"	148.962264
"1380072"	692.401624	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H-2H2O"	-35.012676
"1391006"	710.4116	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H-H2O"	-17.0027
"295436"	1455.835876	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+H"	1.007276
"684210"	2183.250176	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+H"	1.007276
"1366521"	728.421576	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H"	1.007276
"139166"	728.421576	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+2H"	2.014552
"579575"	1092.128726	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+2H"	2.014552
"1051290"	364.714426	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2H"	2.014552
"219190"	485.950142666667	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+3H"	3.021828
"659116"	728.421576	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+3H"	3.021828
"1178094"	243.478709333333	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+3H"	3.021828
"439055"	1472.862423	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+NH4"	18.033823
"800415"	2200.276723	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+NH4"	18.033823
"1694926"	745.448123	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+NH4"	18.033823
"344658"	736.9348495	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+H+NH4"	19.041099
"735984"	1100.6419995	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+H+NH4"	19.041099
"1490900"	373.2276995	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H+NH4"	19.041099
"406298"	1477.817818	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+Na"	22.989218
"766564"	2205.232118	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+Na"	22.989218
"1614663"	750.403518	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Na"	22.989218
"324334"	739.412547	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+H+Na"	23.996494
"718213"	1103.119697	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+H+Na"	23.996494
"1473136"	375.705397	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H+Na"	23.996494
"1065289"	250.806023333333	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2H+Na"	25.00377
"1266969"	760.447786	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+CH3OH+H"	33.033486
"389917"	1493.791758	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+K"	38.963158
"744351"	2221.206058	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+K"	38.963158
"1548592"	766.377458	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+K"	38.963158
"307953"	747.399517	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+H+K"	39.970434
"698191"	1111.106667	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+H+K"	39.970434
"1452012"	383.692367	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H+K"	39.970434
"241708"	1496.862426	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+ACN+H"	42.033826
"1222071"	769.448126	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+ACN+H"	42.033826
"1205952"	385.227701	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+ACN+2H"	43.041102
"201738"	1499.79976	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+2Na-H"	44.97116
"631824"	2227.21406	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+2Na-H"	44.97116
"1133627"	772.38546	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2Na-H"	44.97116
"174606"	750.403518	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+2Na"	45.978436
"617085"	1114.110668	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+2Na"	45.978436
"1118404"	386.696368	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2Na"	45.978436
"1403022"	258.133337333333	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H+2Na"	46.985712
"1434043"	774.427046	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H+HCOOH"	47.012746
"224837"	755.43654	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+3H2O+2H"	56.04448
"1517279"	788.47909	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+IsoProp+H"	61.06479
"419152"	758.390488	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+Na+K"	61.952376
"779055"	1122.097638	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+Na+K"	61.952376
"1675386"	394.683338	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Na+K"	61.952376
"255348"	1518.844368	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+ACN+Na"	64.015768
"1229151"	791.430068	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+ACN+Na"	64.015768
"1714757"	791.453593	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+NH4+HCOOH"	64.039293
"1188860"	265.460651333333	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+3Na"	68.967654
"1657658"	796.408988	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Na+HCOOH"	68.994688
"160510"	1531.74764	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+2K-H"	76.91904
"604080"	2259.16194	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+2K-H"	76.91904
"1089685"	804.33334	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2K-H"	76.91904
"144677"	766.377458	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"2M+2K"	77.926316
"586061"	1130.084608	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"3M+2K"	77.926316
"1070574"	402.670308	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2K"	77.926316
"1100052"	806.347892	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2K+H"	78.933592
"1335632"	806.435507	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+DMSO+H"	79.021207
"1005776"	810.474676	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2ACN+H"	83.060376
"1529010"	811.468308	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+IsoProp+Na+H"	84.054008
"994366"	405.740976	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+2ACN+2H"	84.067652
"1587119"	812.382928	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+K+HCOOH"	84.968628
"1417810"	842.414438	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+H+CF3COOH"	115.000138
"1149191"	426.254251	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+3ACN+2H"	125.094202
"1702023"	859.440985	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+NH4+CF3COOH"	132.026685
"1636580"	864.39638	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+Na+CF3COOH"	136.98208
"1574422"	880.37032	"C15680"	"Mycinamicin II;Mirosamicin"	"C37H61NO13"	"727.4143"	"M+K+CF3COOH"	152.95602
"803695"	681.4088	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M"	0
"979415"	662.39041	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-H2O-H"	-19.01839
"69843"	453.265257333333	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M-3H"	-3.021828
"515965"	680.401524	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M-3H"	-3.021828
"888301"	226.128990666667	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-3H"	-3.021828
"12345"	680.401524	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M-2H"	-2.014552
"449717"	1021.105924	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M-2H"	-2.014552
"824240"	339.697124	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-2H"	-2.014552
"88606"	1361.810324	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M-H"	-1.007276
"528164"	2043.219124	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M-H"	-1.007276
"904873"	680.401524	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-H"	-1.007276
"54876"	1378.836871	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M-2H+NH4"	16.019271
"500880"	2060.245671	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M-2H+NH4"	16.019271
"876615"	697.428071	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-2H+NH4"	16.019271
"46102"	1383.792266	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M-2H+Na"	20.974666
"482986"	2065.201066	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M-2H+Na"	20.974666
"851677"	702.383466	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-2H+Na"	20.974666
"1620482"	702.383466	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Na-2H"	20.974666
"104666"	698.389863	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M-H+Cl"	33.962126
"544226"	1039.094263	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M-H+Cl"	33.962126
"928993"	357.685463	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-H+Cl"	33.962126
"277390"	1397.787002	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+Cl"	34.969402
"671997"	2079.195802	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+Cl"	34.969402
"1281119"	716.378202	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Cl"	34.969402
"20397"	1399.766206	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M-2H+K"	36.948606
"457402"	2081.175006	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M-2H+K"	36.948606
"835574"	718.357406	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-2H+K"	36.948606
"1560158"	718.357406	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+K-2H"	36.948606
"953517"	726.406994	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-H+HCOOH"	44.998194
"376108"	1407.815801	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+HCOOH-H"	44.998201
"360599"	1421.831451	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+Hac-H"	59.013851
"1507689"	740.422651	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Hac-H"	59.013851
"974060"	748.388951	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-H+NaCOOH"	66.980151
"125276"	716.378202	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+2Cl"	69.938804
"560457"	1057.082602	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+2Cl"	69.938804
"1035101"	375.673802	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2Cl"	69.938804
"1256133"	760.327685	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Br"	78.918885
"1311289"	762.383672	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Cl+HCOOH"	80.974872
"1334621"	784.365629	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Cl+NaCOOH"	102.956829
"926407"	794.394386	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M-H+CF3COOH"	112.985586
"1293272"	830.371064	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Cl+CF3COOH"	148.962264
"1377629"	646.396124	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H-2H2O"	-35.012676
"1388928"	664.4061	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H-H2O"	-17.0027
"286792"	1363.824876	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+H"	1.007276
"683226"	2045.233676	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+H"	1.007276
"1361766"	682.416076	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H"	1.007276
"136477"	682.416076	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+2H"	2.014552
"577132"	1023.120476	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+2H"	2.014552
"1050303"	341.711676	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2H"	2.014552
"219176"	455.279809333333	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+3H"	3.021828
"658006"	682.416076	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+3H"	3.021828
"1173700"	228.143542666667	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+3H"	3.021828
"436971"	1380.851423	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+NH4"	18.033823
"798333"	2062.260223	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+NH4"	18.033823
"1694300"	699.442623	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+NH4"	18.033823
"339660"	690.9293495	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+H+NH4"	19.041099
"729895"	1031.6337495	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+H+NH4"	19.041099
"1484808"	350.2249495	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H+NH4"	19.041099
"402394"	1385.806818	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+Na"	22.989218
"763390"	2067.215618	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+Na"	22.989218
"1613676"	704.398018	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Na"	22.989218
"324805"	693.407047	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+H+Na"	23.996494
"715037"	1034.111447	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+H+Na"	23.996494
"1473248"	352.702647	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H+Na"	23.996494
"1063940"	235.470856666667	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2H+Na"	25.00377
"1265983"	714.442286	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+CH3OH+H"	33.033486
"386746"	1401.780758	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+K"	38.963158
"748471"	2083.189558	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+K"	38.963158
"1546517"	720.371958	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+K"	38.963158
"307700"	701.394017	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+H+K"	39.970434
"697206"	1042.098417	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+H+K"	39.970434
"1452122"	360.689617	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H+K"	39.970434
"242912"	1404.851426	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+ACN+H"	42.033826
"1218898"	723.442626	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+ACN+H"	42.033826
"1207154"	362.224951	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+ACN+2H"	43.041102
"197835"	1407.78876	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+2Na-H"	44.97116
"638495"	2089.19756	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+2Na-H"	44.97116
"1143094"	726.37996	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2Na-H"	44.97116
"182009"	704.398018	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+2Na"	45.978436
"615005"	1045.102418	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+2Na"	45.978436
"1119606"	363.693618	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2Na"	45.978436
"1400575"	242.798170666667	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H+2Na"	46.985712
"1433056"	728.421546	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H+HCOOH"	47.012746
"226040"	709.43104	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+3H2O+2H"	56.04448
"1514109"	742.47359	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+IsoProp+H"	61.06479
"419263"	712.384988	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+Na+K"	61.952376
"775885"	1053.089388	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+Na+K"	61.952376
"1675496"	371.680588	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Na+K"	61.952376
"254365"	1426.833368	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+ACN+Na"	64.015768
"1228166"	745.424568	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+ACN+Na"	64.015768
"1714499"	745.448093	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+NH4+HCOOH"	64.039293
"1186782"	250.125484666667	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+3Na"	68.967654
"1656674"	750.403488	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Na+HCOOH"	68.994688
"161349"	1439.73664	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+2K-H"	76.91904
"603097"	2121.14544	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+2K-H"	76.91904
"1088702"	758.32784	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2K-H"	76.91904
"144059"	720.371958	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"2M+2K"	77.926316
"583983"	1061.076358	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"3M+2K"	77.926316
"1070684"	379.667558	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2K"	77.926316
"1100611"	760.342392	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2K+H"	78.933592
"1335816"	760.430007	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+DMSO+H"	79.021207
"1006983"	764.469176	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2ACN+H"	83.060376
"1528027"	765.462808	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+IsoProp+Na+H"	84.054008
"995568"	382.738226	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+2ACN+2H"	84.067652
"1590073"	766.377428	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+K+HCOOH"	84.968628
"1422295"	796.408938	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+H+CF3COOH"	115.000138
"1153677"	403.251501	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+3ACN+2H"	125.094202
"1701041"	813.435485	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+NH4+CF3COOH"	132.026685
"1634584"	818.39088	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+Na+CF3COOH"	136.98208
"1572344"	834.36482	"C15681"	"Mycinamicin III"	"C36H59NO11"	"681.4088"	"M+K+CF3COOH"	152.95602
"802833"	667.3932	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M"	0
"976245"	648.37481	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-H2O-H"	-19.01839
"64607"	443.921524	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M-3H"	-3.021828
"511702"	666.385924	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M-3H"	-3.021828
"888414"	221.457124	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-3H"	-3.021828
"11361"	666.385924	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M-2H"	-2.014552
"449826"	1000.082524	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M-2H"	-2.014552
"825443"	332.689324	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-2H"	-2.014552
"87623"	1333.779124	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M-H"	-1.007276
"526090"	2001.172324	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M-H"	-1.007276
"910329"	666.385924	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-H"	-1.007276
"58263"	1350.805671	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M-2H+NH4"	16.019271
"498922"	2018.198871	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M-2H+NH4"	16.019271
"875631"	683.412471	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-2H+NH4"	16.019271
"46088"	1355.761066	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M-2H+Na"	20.974666
"482001"	2023.154266	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M-2H+Na"	20.974666
"851059"	688.367866	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-2H+Na"	20.974666
"1619134"	688.367866	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Na-2H"	20.974666
"105869"	684.374263	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M-H+Cl"	33.962126
"543974"	1018.070863	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M-H+Cl"	33.962126
"928010"	350.677663	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-H+Cl"	33.962126
"279686"	1369.755802	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+Cl"	34.969402
"674054"	2037.149002	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+Cl"	34.969402
"1280135"	702.362602	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Cl"	34.969402
"18322"	1371.735006	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M-2H+K"	36.948606
"457879"	2039.128206	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M-2H+K"	36.948606
"832882"	704.341806	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-2H+K"	36.948606
"1558082"	704.341806	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+K-2H"	36.948606
"956542"	712.391394	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-H+HCOOH"	44.998194
"376462"	1379.784601	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+HCOOH-H"	44.998201
"360712"	1393.800251	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+Hac-H"	59.013851
"1507482"	726.407051	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Hac-H"	59.013851
"973440"	734.373351	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-H+NaCOOH"	66.980151
"124536"	702.362602	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+2Cl"	69.938804
"563848"	1036.059202	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+2Cl"	69.938804
"1035931"	368.666002	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2Cl"	69.938804
"1255510"	746.312085	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Br"	78.918885
"1314679"	748.368072	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Cl+HCOOH"	80.974872
"1334243"	770.350029	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Cl+NaCOOH"	102.956829
"924326"	780.378786	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M-H+CF3COOH"	112.985586
"1293382"	816.355464	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Cl+CF3COOH"	148.962264
"1377739"	632.380524	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H-2H2O"	-35.012676
"1391226"	650.3905	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H-H2O"	-17.0027
"286538"	1335.793676	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+H"	1.007276
"687713"	2003.186876	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+H"	1.007276
"1362971"	668.400476	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H"	1.007276
"136950"	668.400476	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+2H"	2.014552
"577606"	1002.097076	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+2H"	2.014552
"1051142"	334.703876	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2H"	2.014552
"218313"	445.936076	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+3H"	3.021828
"656050"	668.400476	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+3H"	3.021828
"1174174"	223.471676	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+3H"	3.021828
"437445"	1352.820223	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+NH4"	18.033823
"794066"	2020.213423	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+NH4"	18.033823
"1692585"	685.427023	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+NH4"	18.033823
"339769"	676.9137495	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+H+NH4"	19.041099
"727817"	1010.6103495	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+H+NH4"	19.041099
"1484918"	343.2171495	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H+NH4"	19.041099
"401409"	1357.775618	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+Na"	22.989218
"763500"	2025.168818	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+Na"	22.989218
"1612692"	690.382418	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Na"	22.989218
"321633"	679.391447	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+H+Na"	23.996494
"710773"	1013.088047	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+H+Na"	23.996494
"1474814"	345.694847	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H+Na"	23.996494
"1064050"	230.79899	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2H+Na"	25.00377
"1268280"	700.426686	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+CH3OH+H"	33.033486
"387947"	1373.749558	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+K"	38.963158
"748945"	2041.142758	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+K"	38.963158
"1547720"	706.356358	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+K"	38.963158
"308173"	687.378417	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+H+K"	39.970434
"699502"	1021.075017	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+H+K"	39.970434
"1454054"	353.681817	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H+K"	39.970434
"245209"	1376.820226	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+ACN+H"	42.033826
"1220101"	709.427026	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+ACN+H"	42.033826
"1205076"	355.217151	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+ACN+2H"	43.041102
"199038"	1379.75756	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+2Na-H"	44.97116
"639698"	2047.15076	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+2Na-H"	44.97116
"1145390"	712.36436	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2Na-H"	44.97116
"179932"	690.382418	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+2Na"	45.978436
"615846"	1024.079018	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+2Na"	45.978436
"1118624"	356.685818	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2Na"	45.978436
"1399345"	238.126304	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H+2Na"	46.985712
"1432073"	714.405946	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H+HCOOH"	47.012746
"227243"	695.41544	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+3H2O+2H"	56.04448
"1517495"	728.45799	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+IsoProp+H"	61.06479
"419373"	698.369388	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+Na+K"	61.952376
"780368"	1032.065988	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+Na+K"	61.952376
"1671232"	364.672788	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Na+K"	61.952376
"256662"	1398.802168	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+ACN+Na"	64.015768
"1228277"	731.408968	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+ACN+Na"	64.015768
"1718258"	731.432493	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+NH4+HCOOH"	64.039293
"1184706"	245.453618	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+3Na"	68.967654
"1654961"	736.387888	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Na+HCOOH"	68.994688
"164741"	1411.70544	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+2K-H"	76.91904
"604301"	2079.09864	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+2K-H"	76.91904
"1092092"	744.31224	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2K-H"	76.91904
"146721"	706.356358	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"2M+2K"	77.926316
"584823"	1040.052958	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"3M+2K"	77.926316
"1071157"	372.659758	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2K"	77.926316
"1100842"	746.326792	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2K+H"	78.933592
"1336618"	746.414407	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+DMSO+H"	79.021207
"1007823"	750.453576	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2ACN+H"	83.060376
"1525948"	751.447208	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+IsoProp+Na+H"	84.054008
"993491"	375.730426	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+2ACN+2H"	84.067652
"1589815"	752.361828	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+K+HCOOH"	84.968628
"1421312"	782.393338	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+H+CF3COOH"	115.000138
"1153787"	396.243701	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+3ACN+2H"	125.094202
"1701151"	799.419885	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+NH4+CF3COOH"	132.026685
"1635707"	804.37528	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+Na+CF3COOH"	136.98208
"1572209"	820.34922	"C15682"	"Mycinamicin VI"	"C35H57NO11"	"667.3932"	"M+K+CF3COOH"	152.95602
"803916"	521.3353	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M"	0
"977447"	502.31691	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-H2O-H"	-19.01839
"67876"	346.549590666667	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M-3H"	-3.021828
"510718"	520.328024	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M-3H"	-3.021828
"892894"	172.771157333333	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-3H"	-3.021828
"13656"	520.328024	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M-2H"	-2.014552
"453946"	780.995674	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M-2H"	-2.014552
"827739"	259.660374	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-2H"	-2.014552
"90648"	1041.663324	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M-H"	-1.007276
"530573"	1562.998624	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M-H"	-1.007276
"909347"	520.328024	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-H"	-1.007276
"58373"	1058.689871	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M-2H+NH4"	16.019271
"499032"	1580.025171	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M-2H+NH4"	16.019271
"875741"	537.354571	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-2H+NH4"	16.019271
"46854"	1063.645266	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M-2H+Na"	20.974666
"486003"	1584.980566	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M-2H+Na"	20.974666
"854449"	542.309966	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-2H+Na"	20.974666
"1623985"	542.309966	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Na-2H"	20.974666
"105979"	538.316363	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M-H+Cl"	33.962126
"549188"	798.984013	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M-H+Cl"	33.962126
"932494"	277.648713	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-H+Cl"	33.962126
"280891"	1077.640002	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+Cl"	34.969402
"674042"	1598.975302	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+Cl"	34.969402
"1280245"	556.304702	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Cl"	34.969402
"21712"	1079.619206	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M-2H+K"	36.948606
"457991"	1600.954506	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M-2H+K"	36.948606
"835794"	558.283906	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-2H+K"	36.948606
"1560379"	558.283906	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+K-2H"	36.948606
"957384"	566.333494	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-H+HCOOH"	44.998194
"376819"	1087.668801	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+HCOOH-H"	44.998201
"360822"	1101.684451	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+Hac-H"	59.013851
"1507960"	580.349151	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Hac-H"	59.013851
"973675"	588.315451	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-H+NaCOOH"	66.980151
"124045"	556.304702	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+2Cl"	69.938804
"565500"	816.972352	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+2Cl"	69.938804
"1036940"	295.637052	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2Cl"	69.938804
"1256239"	600.254185	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Br"	78.918885
"1317706"	602.310172	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Cl+HCOOH"	80.974872
"1334478"	624.292129	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Cl+NaCOOH"	102.956829
"926951"	634.320886	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M-H+CF3COOH"	112.985586
"1296772"	670.297564	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Cl+CF3COOH"	148.962264
"1374932"	486.322624	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H-2H2O"	-35.012676
"1390242"	504.3326	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H-H2O"	-17.0027
"289928"	1043.677876	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+H"	1.007276
"687092"	1565.013176	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+H"	1.007276
"1365632"	522.342576	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H"	1.007276
"140342"	522.342576	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+2H"	2.014552
"580514"	783.010226	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+2H"	2.014552
"1051983"	261.674926	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2H"	2.014552
"219400"	348.564142666667	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+3H"	3.021828
"655065"	522.342576	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+3H"	3.021828
"1174284"	174.785709333333	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+3H"	3.021828
"437923"	1060.704423	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+NH4"	18.033823
"797456"	1582.039723	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+NH4"	18.033823
"1692695"	539.369123	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+NH4"	18.033823
"340972"	530.8558495	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+H+NH4"	19.041099
"727927"	791.5234995	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+H+NH4"	19.041099
"1488307"	270.1881995	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H+NH4"	19.041099
"401519"	1065.659818	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+Na"	22.989218
"765796"	1586.995118	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+Na"	22.989218
"1612802"	544.324518	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Na"	22.989218
"322836"	533.333547	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+H+Na"	23.996494
"710883"	794.001197	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+H+Na"	23.996494
"1474194"	272.665897	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H+Na"	23.996494
"1062337"	182.113023333333	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2H+Na"	25.00377
"1269483"	554.368786	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+CH3OH+H"	33.033486
"385870"	1081.633758	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+K"	38.963158
"745774"	1602.969058	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+K"	38.963158
"1552201"	560.298458	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+K"	38.963158
"310471"	541.320517	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+H+K"	39.970434
"700706"	801.988167	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+H+K"	39.970434
"1457806"	280.652867	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H+K"	39.970434
"248596"	1084.704426	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+ACN+H"	42.033826
"1221303"	563.369126	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+ACN+H"	42.033826
"1207372"	282.188201	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+ACN+2H"	43.041102
"196961"	1087.64176	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+2Na-H"	44.97116
"642966"	1608.97706	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+2Na-H"	44.97116
"1145135"	566.30646	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2Na-H"	44.97116
"182228"	544.324518	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+2Na"	45.978436
"623976"	804.992168	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+2Na"	45.978436
"1123107"	283.656868	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2Na"	45.978436
"1403350"	189.440337333333	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H+2Na"	46.985712
"1433643"	568.348046	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H+HCOOH"	47.012746
"226260"	549.35754	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+3H2O+2H"	56.04448
"1518698"	582.40009	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+IsoProp+H"	61.06479
"422399"	552.311488	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+Na+K"	61.952376
"784123"	812.979138	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+Na+K"	61.952376
"1674622"	291.643838	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Na+K"	61.952376
"262968"	1106.686368	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+ACN+Na"	64.015768
"1228387"	585.351068	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+ACN+Na"	64.015768
"1719462"	585.374593	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+NH4+HCOOH"	64.039293
"1187003"	196.767651333333	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+3Na"	68.967654
"1655801"	590.329988	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Na+HCOOH"	68.994688
"160476"	1119.58964	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+2K-H"	76.91904
"604412"	1640.92494	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+2K-H"	76.91904
"1090016"	598.25434	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2K-H"	76.91904
"146831"	560.298458	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"2M+2K"	77.926316
"584205"	820.966108	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"3M+2K"	77.926316
"1072361"	299.630808	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2K"	77.926316
"1100831"	600.268892	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2K+H"	78.933592
"1339403"	600.356507	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+DMSO+H"	79.021207
"1009025"	604.395676	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2ACN+H"	83.060376
"1527151"	605.389308	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+IsoProp+Na+H"	84.054008
"992871"	302.701476	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+2ACN+2H"	84.067652
"1589561"	606.303928	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+K+HCOOH"	84.968628
"1417047"	636.335438	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+H+CF3COOH"	115.000138
"1153895"	323.214751	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+3ACN+2H"	125.094202
"1702354"	653.361985	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+NH4+CF3COOH"	132.026685
"1635818"	658.31738	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+Na+CF3COOH"	136.98208
"1571590"	674.29132	"C15683"	"Mycinamicin VII"	"C29H47NO7"	"521.3353"	"M+K+CF3COOH"	152.95602
"803661"	505.3403	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M"	0
"975126"	486.32191	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-H2O-H"	-19.01839
"65801"	335.886257333333	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M-3H"	-3.021828
"514110"	504.333024	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M-3H"	-3.021828
"890818"	167.439490666667	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-3H"	-3.021828
"9394"	504.333024	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M-2H"	-2.014552
"448953"	757.003174	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M-2H"	-2.014552
"825663"	251.662874	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-2H"	-2.014552
"84562"	1009.673324	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M-H"	-1.007276
"526308"	1515.013624	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M-H"	-1.007276
"901557"	504.333024	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-H"	-1.007276
"56296"	1026.699871	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M-2H+NH4"	16.019271
"493306"	1532.040171	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M-2H+NH4"	16.019271
"877675"	521.359571	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-2H+NH4"	16.019271
"45576"	1031.655266	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M-2H+Na"	20.974666
"483313"	1536.995566	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M-2H+Na"	20.974666
"860026"	526.314966	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-2H+Na"	20.974666
"1628468"	526.314966	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Na-2H"	20.974666
"109746"	522.321363	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M-H+Cl"	33.962126
"549914"	774.991513	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M-H+Cl"	33.962126
"941961"	269.651213	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-H+Cl"	33.962126
"282220"	1045.650002	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+Cl"	34.969402
"673911"	1550.990302	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+Cl"	34.969402
"1284729"	540.309702	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Cl"	34.969402
"26195"	1047.629206	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M-2H+K"	36.948606
"462474"	1552.969506	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M-2H+K"	36.948606
"836997"	542.288906	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-2H+K"	36.948606
"1560853"	542.288906	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+K-2H"	36.948606
"958101"	550.338494	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-H+HCOOH"	44.998194
"376321"	1055.678801	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+HCOOH-H"	44.998201
"359842"	1069.694451	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+Hac-H"	59.013851
"1507989"	564.354151	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Hac-H"	59.013851
"972814"	572.320451	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-H+NaCOOH"	66.980151
"124152"	540.309702	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+2Cl"	69.938804
"564072"	792.979852	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+2Cl"	69.938804
"1036968"	287.639552	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2Cl"	69.938804
"1256790"	584.259185	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Br"	78.918885
"1318549"	586.315172	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Cl+HCOOH"	80.974872
"1334831"	608.297129	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Cl+NaCOOH"	102.956829
"925644"	618.325886	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M-H+CF3COOH"	112.985586
"1301985"	654.302564	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Cl+CF3COOH"	148.962264
"1381241"	470.327624	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H-2H2O"	-35.012676
"1393998"	488.3376	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H-H2O"	-17.0027
"292226"	1011.687876	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+H"	1.007276
"686838"	1517.028176	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+H"	1.007276
"1366105"	506.347576	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H"	1.007276
"140088"	506.347576	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+2H"	2.014552
"580989"	759.017726	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+2H"	2.014552
"1051729"	253.677426	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2H"	2.014552
"218169"	337.900809333333	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+3H"	3.021828
"657728"	506.347576	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+3H"	3.021828
"1177310"	169.454042666667	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+3H"	3.021828
"439368"	1028.714423	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+NH4"	18.033823
"797567"	1534.054723	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+NH4"	18.033823
"1692805"	523.374123	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+NH4"	18.033823
"342176"	514.8608495	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+H+NH4"	19.041099
"732410"	767.5309995	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+H+NH4"	19.041099
"1485136"	262.1906995	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H+NH4"	19.041099
"398348"	1033.669818	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+Na"	22.989218
"765906"	1539.010118	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+Na"	22.989218
"1612912"	528.329518	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Na"	22.989218
"319666"	517.338547	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+H+Na"	23.996494
"709900"	770.008697	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+H+Na"	23.996494
"1475886"	264.668397	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H+Na"	23.996494
"1067918"	176.781356666667	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2H+Na"	25.00377
"1270686"	538.373786	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+CH3OH+H"	33.033486
"391937"	1049.643758	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+K"	38.963158
"752446"	1554.984058	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+K"	38.963158
"1554135"	544.303458	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+K"	38.963158
"311678"	525.325517	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+H+K"	39.970434
"704096"	777.995667	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+H+K"	39.970434
"1461076"	272.655367	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H+K"	39.970434
"250978"	1052.714426	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+ACN+H"	42.033826
"1222506"	547.374126	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+ACN+H"	42.033826
"1207482"	274.190701	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+ACN+2H"	43.041102
"197071"	1055.65176	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+2Na-H"	44.97116
"643936"	1560.99206	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+2Na-H"	44.97116
"1146217"	550.31146	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2Na-H"	44.97116
"184525"	528.329518	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+2Na"	45.978436
"624086"	780.999668	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+2Na"	45.978436
"1125404"	275.659368	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2Na"	45.978436
"1403460"	184.108670666667	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H+2Na"	46.985712
"1433753"	552.353046	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H+HCOOH"	47.012746
"226370"	533.36254	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+3H2O+2H"	56.04448
"1515528"	566.40509	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+IsoProp+H"	61.06479
"421782"	536.316488	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+Na+K"	61.952376
"781682"	788.986638	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+Na+K"	61.952376
"1674732"	283.646338	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Na+K"	61.952376
"262349"	1074.696368	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+ACN+Na"	64.015768
"1228497"	569.356068	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+ACN+Na"	64.015768
"1720665"	569.379593	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+NH4+HCOOH"	64.039293
"1184926"	191.435984666667	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+3Na"	68.967654
"1655911"	574.334988	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Na+HCOOH"	68.994688
"163866"	1087.59964	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+2K-H"	76.91904
"606709"	1592.93994	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+2K-H"	76.91904
"1091219"	582.25934	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2K-H"	76.91904
"149128"	544.303458	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"2M+2K"	77.926316
"589785"	796.973608	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"3M+2K"	77.926316
"1070285"	291.633308	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2K"	77.926316
"1104222"	584.273892	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2K+H"	78.933592
"1337446"	584.361507	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+DMSO+H"	79.021207
"1012417"	588.400676	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2ACN+H"	83.060376
"1528356"	589.394308	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+IsoProp+Na+H"	84.054008
"995901"	294.703976	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+2ACN+2H"	84.067652
"1591498"	590.308928	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+K+HCOOH"	84.968628
"1418249"	620.340438	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+H+CF3COOH"	115.000138
"1154007"	315.217251	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+3ACN+2H"	125.094202
"1706839"	637.366985	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+NH4+CF3COOH"	132.026685
"1637020"	642.32238	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+Na+CF3COOH"	136.98208
"1572309"	658.29632	"C15684"	"Mycinamicin VIII"	"C29H47NO6"	"505.3403"	"M+K+CF3COOH"	152.95602
"801783"	348.2301	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M"	0
"974422"	329.21171	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-H2O-H"	-19.01839
"64817"	231.146124	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M-3H"	-3.021828
"512033"	347.222824	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M-3H"	-3.021828
"893115"	115.069424	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-3H"	-3.021828
"6222"	347.222824	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M-2H"	-2.014552
"447969"	521.337874	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M-2H"	-2.014552
"825774"	173.107774	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-2H"	-2.014552
"86858"	695.452924	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M-H"	-1.007276
"521679"	1043.683024	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M-H"	-1.007276
"900939"	347.222824	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-H"	-1.007276
"52396"	712.479471	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M-2H+NH4"	16.019271
"491229"	1060.709571	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M-2H+NH4"	16.019271
"877785"	364.249371	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-2H+NH4"	16.019271
"45322"	717.434866	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M-2H+Na"	20.974666
"480143"	1065.664966	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M-2H+Na"	20.974666
"862688"	369.204766	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-2H+Na"	20.974666
"1634009"	369.204766	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Na-2H"	20.974666
"109858"	365.211163	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M-H+Cl"	33.962126
"549739"	539.326213	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M-H+Cl"	33.962126
"942600"	191.096113	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-H+Cl"	33.962126
"282698"	731.429602	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+Cl"	34.969402
"674263"	1079.659702	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+Cl"	34.969402
"1282653"	383.199502	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Cl"	34.969402
"26305"	733.408806	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M-2H+K"	36.948606
"461491"	1081.638906	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M-2H+K"	36.948606
"834920"	385.178706	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-2H+K"	36.948606
"1559503"	385.178706	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+K-2H"	36.948606
"957767"	393.228294	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-H+HCOOH"	44.998194
"376906"	741.458401	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+HCOOH-H"	44.998201
"360560"	755.474051	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+Hac-H"	59.013851
"1508336"	407.243951	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Hac-H"	59.013851
"972802"	415.210251	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-H+NaCOOH"	66.980151
"124993"	383.199502	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+2Cl"	69.938804
"565236"	557.314552	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+2Cl"	69.938804
"1036908"	209.084452	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2Cl"	69.938804
"1256619"	427.148985	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Br"	78.918885
"1319387"	429.204972	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Cl+HCOOH"	80.974872
"1334939"	451.186929	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Cl+NaCOOH"	102.956829
"926844"	461.215686	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M-H+CF3COOH"	112.985586
"1300272"	497.192364	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Cl+CF3COOH"	148.962264
"1381350"	313.217424	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H-2H2O"	-35.012676
"1391556"	331.2274	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H-H2O"	-17.0027
"289056"	697.467476	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+H"	1.007276
"686219"	1045.697576	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+H"	1.007276
"1362204"	349.237376	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H"	1.007276
"134726"	349.237376	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+2H"	2.014552
"578299"	523.352426	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+2H"	2.014552
"1050378"	175.122326	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2H"	2.014552
"218280"	233.160676	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+3H"	3.021828
"657474"	349.237376	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+3H"	3.021828
"1175233"	117.083976	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+3H"	3.021828
"437775"	714.494023	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+NH4"	18.033823
"794396"	1062.724123	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+NH4"	18.033823
"1687447"	366.263923	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+NH4"	18.033823
"334631"	357.7506495	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+H+NH4"	19.041099
"731427"	531.8656995	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+H+NH4"	19.041099
"1481966"	183.6355995	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H+NH4"	19.041099
"398458"	719.449418	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+Na"	22.989218
"763830"	1067.679518	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+Na"	22.989218
"1613022"	371.219318	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Na"	22.989218
"318683"	360.228347	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+H+Na"	23.996494
"708917"	534.343397	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+H+Na"	23.996494
"1476687"	186.113297	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H+Na"	23.996494
"1067904"	124.41129	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2H+Na"	25.00377
"1269703"	381.263586	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+CH3OH+H"	33.033486
"388279"	735.423358	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+K"	38.963158
"751462"	1083.653458	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+K"	38.963158
"1552422"	387.193258	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+K"	38.963158
"310692"	368.215317	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+H+K"	39.970434
"702019"	542.330367	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+H+K"	39.970434
"1458026"	194.100267	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H+K"	39.970434
"250516"	738.494026	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+ACN+H"	42.033826
"1223709"	390.263926	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+ACN+H"	42.033826
"1205405"	195.635601	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+ACN+2H"	43.041102
"197181"	741.43136	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+2Na-H"	44.97116
"642091"	1089.66146	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+2Na-H"	44.97116
"1142438"	393.20126	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2Na-H"	44.97116
"179168"	371.219318	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+2Na"	45.978436
"623102"	545.334368	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+2Na"	45.978436
"1125514"	197.104268	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2Na"	45.978436
"1403570"	131.738604	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H+2Na"	46.985712
"1432404"	395.242846	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H+HCOOH"	47.012746
"224293"	376.25234	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+3H2O+2H"	56.04448
"1518919"	409.29489	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+IsoProp+H"	61.06479
"424233"	379.206288	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+Na+K"	61.952376
"783980"	553.321338	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+Na+K"	61.952376
"1675935"	205.091238	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Na+K"	61.952376
"265011"	760.475968	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+ACN+Na"	64.015768
"1240963"	412.245868	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+ACN+Na"	64.015768
"1722962"	412.269393	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+NH4+HCOOH"	64.039293
"1188317"	139.065918	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+3Na"	68.967654
"1662581"	417.224788	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Na+HCOOH"	68.994688
"166163"	773.37924	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+2K-H"	76.91904
"605724"	1121.60934	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+2K-H"	76.91904
"1092422"	425.14914	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2K-H"	76.91904
"144865"	387.193258	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"2M+2K"	77.926316
"592081"	561.308308	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"3M+2K"	77.926316
"1072217"	213.078208	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2K"	77.926316
"1107612"	427.163692	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2K+H"	78.933592
"1339623"	427.251307	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+DMSO+H"	79.021207
"1009246"	431.290476	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2ACN+H"	83.060376
"1529559"	432.284108	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+IsoProp+Na+H"	84.054008
"997104"	216.148876	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+2ACN+2H"	84.067652
"1590879"	433.198728	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+K+HCOOH"	84.968628
"1418359"	463.230238	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+H+CF3COOH"	115.000138
"1154117"	236.662151	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+3ACN+2H"	125.094202
"1706949"	480.256785	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+NH4+CF3COOH"	132.026685
"1636037"	485.21218	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+Na+CF3COOH"	136.98208
"1572540"	501.18612	"C15685"	"Protomycinolide IV"	"C21H32O4"	"348.2301"	"M+K+CF3COOH"	152.95602
"806434"	1353.8007	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M"	0
"976686"	1334.78231	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-H2O-H"	-19.01839
"72585"	901.526524	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M-3H"	-3.021828
"512146"	1352.793424	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M-3H"	-3.021828
"887759"	450.259624	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-3H"	-3.021828
"8520"	1352.793424	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M-2H"	-2.014552
"450265"	2029.693774	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M-2H"	-2.014552
"825884"	675.893074	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-2H"	-2.014552
"88062"	2706.594124	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M-H"	-1.007276
"530780"	4060.394824	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M-H"	-1.007276
"899954"	1352.793424	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-H"	-1.007276
"57609"	2723.620671	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M-2H+NH4"	16.019271
"496078"	4077.421371	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M-2H+NH4"	16.019271
"877895"	1369.819971	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-2H+NH4"	16.019271
"42879"	2728.576066	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M-2H+Na"	20.974666
"482438"	4082.376766	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M-2H+Na"	20.974666
"860246"	1374.775366	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-2H+Na"	20.974666
"1633064"	1374.775366	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Na-2H"	20.974666
"109929"	1370.781763	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M-H+Cl"	33.962126
"548062"	2047.682113	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M-H+Cl"	33.962126
"941939"	693.881413	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-H+Cl"	33.962126
"281224"	2742.570802	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+Cl"	34.969402
"670363"	4096.371502	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+Cl"	34.969402
"1286044"	1388.770102	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Cl"	34.969402
"24229"	2744.550006	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M-2H+K"	36.948606
"457228"	4098.350706	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M-2H+K"	36.948606
"833937"	1390.749306	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-2H+K"	36.948606
"1559613"	1390.749306	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+K-2H"	36.948606
"957471"	1398.798894	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-H+HCOOH"	44.998194
"375562"	2752.599601	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+HCOOH-H"	44.998201
"360908"	2766.615251	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+Hac-H"	59.013851
"1508394"	1412.814551	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Hac-H"	59.013851
"973153"	1420.780851	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-H+NaCOOH"	66.980151
"125101"	1388.770102	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+2Cl"	69.938804
"565266"	2065.670452	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+2Cl"	69.938804
"1036748"	711.869752	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2Cl"	69.938804
"1256326"	1432.719585	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Br"	78.918885
"1319299"	1434.775572	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Cl+HCOOH"	80.974872
"1335132"	1456.757529	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Cl+NaCOOH"	102.956829
"926470"	1466.786286	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M-H+CF3COOH"	112.985586
"1294914"	1502.762964	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Cl+CF3COOH"	148.962264
"1381826"	1318.788024	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H-2H2O"	-35.012676
"1396041"	1336.798	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H-H2O"	-17.0027
"292446"	2708.608676	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+H"	1.007276
"683775"	4062.409376	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+H"	1.007276
"1363407"	1354.807976	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H"	1.007276
"136659"	1354.807976	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+2H"	2.014552
"578408"	2031.708326	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+2H"	2.014552
"1050852"	677.907626	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2H"	2.014552
"218390"	903.541076	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+3H"	3.021828
"656126"	1354.807976	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+3H"	3.021828
"1175707"	452.274176	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+3H"	3.021828
"436793"	2725.635223	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+NH4"	18.033823
"794506"	4079.435923	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+NH4"	18.033823
"1687557"	1371.834523	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+NH4"	18.033823
"334741"	1363.3212495	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+H+NH4"	19.041099
"730444"	2040.2215995	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+H+NH4"	19.041099
"1479890"	686.4208995	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H+NH4"	19.041099
"397475"	2730.590618	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+Na"	22.989218
"763940"	4084.391318	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+Na"	22.989218
"1613132"	1376.789918	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Na"	22.989218
"316607"	1365.798947	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+H+Na"	23.996494
"710120"	2042.699297	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+H+Na"	23.996494
"1475742"	688.898597	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H+Na"	23.996494
"1061574"	459.60149	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2H+Na"	25.00377
"1269813"	1386.834186	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+CH3OH+H"	33.033486
"388389"	2746.564558	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+K"	38.963158
"750479"	4100.365258	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+K"	38.963158
"1549252"	1392.763858	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+K"	38.963158
"309708"	1373.785917	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+H+K"	39.970434
"702129"	2050.686267	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+H+K"	39.970434
"1454856"	696.885567	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H+K"	39.970434
"248925"	2749.635226	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+ACN+H"	42.033826
"1221633"	1395.834526	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+ACN+H"	42.033826
"1204423"	698.420901	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+ACN+2H"	43.041102
"197292"	2752.57256	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+2Na-H"	44.97116
"635762"	4106.37326	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+2Na-H"	44.97116
"1135988"	1398.77186	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2Na-H"	44.97116
"182558"	1376.789918	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+2Na"	45.978436
"619933"	2053.690268	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+2Na"	45.978436
"1124169"	699.889568	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2Na"	45.978436
"1406960"	466.928804	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H+2Na"	46.985712
"1432516"	1400.813446	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H+HCOOH"	47.012746
"225499"	1381.82294	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+3H2O+2H"	56.04448
"1519029"	1414.86549	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+IsoProp+H"	61.06479
"423746"	1384.776888	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+Na+K"	61.952376
"785428"	2061.677238	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+Na+K"	61.952376
"1680055"	707.876538	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Na+K"	61.952376
"265121"	2771.617168	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+ACN+Na"	64.015768
"1240707"	1417.816468	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+ACN+Na"	64.015768
"1720885"	1417.839993	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+NH4+HCOOH"	64.039293
"1188427"	474.256118	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+3Na"	68.967654
"1660505"	1422.795388	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Na+HCOOH"	68.994688
"164086"	2784.52044	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+2K-H"	76.91904
"602554"	4138.32114	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+2K-H"	76.91904
"1093626"	1430.71974	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2K-H"	76.91904
"147162"	1392.763858	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"2M+2K"	77.926316
"588911"	2069.664208	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"3M+2K"	77.926316
"1070869"	715.863508	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2K"	77.926316
"1102011"	1432.734292	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2K+H"	78.933592
"1338639"	1432.821907	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+DMSO+H"	79.021207
"1007534"	1436.861076	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2ACN+H"	83.060376
"1529669"	1437.854708	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+IsoProp+Na+H"	84.054008
"995024"	718.934176	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+2ACN+2H"	84.067652
"1593904"	1438.769328	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+K+HCOOH"	84.968628
"1417376"	1468.800838	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+H+CF3COOH"	115.000138
"1153135"	739.447451	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+3ACN+2H"	125.094202
"1703779"	1485.827385	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+NH4+CF3COOH"	132.026685
"1635419"	1490.78278	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+Na+CF3COOH"	136.98208
"1572163"	1506.75672	"C15686"	"Arthrofactin"	"C64H111N11O20"	"1353.8007"	"M+K+CF3COOH"	152.95602
"806544"	489.309	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M"	0
"976796"	470.29061	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-H2O-H"	-19.01839
"69412"	325.198724	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M-3H"	-3.021828
"510066"	488.301724	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M-3H"	-3.021828
"886776"	162.095724	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-3H"	-3.021828
"8629"	488.301724	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M-2H"	-2.014552
"449283"	732.956224	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M-2H"	-2.014552
"821619"	243.647224	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-2H"	-2.014552
"88171"	977.610724	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M-H"	-1.007276
"526638"	1466.919724	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M-H"	-1.007276
"897269"	488.301724	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-H"	-1.007276
"50429"	994.637271	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M-2H+NH4"	16.019271
"489990"	1483.946271	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M-2H+NH4"	16.019271
"877521"	505.328271	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-2H+NH4"	16.019271
"44082"	999.592666	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M-2H+Na"	20.974666
"482548"	1488.901666	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M-2H+Na"	20.974666
"859263"	510.283666	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-2H+Na"	20.974666
"1633056"	510.283666	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Na-2H"	20.974666
"109218"	506.290063	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M-H+Cl"	33.962126
"548171"	750.944563	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M-H+Cl"	33.962126
"939498"	261.635563	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-H+Cl"	33.962126
"272587"	1013.587402	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+Cl"	34.969402
"669382"	1502.896402	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+Cl"	34.969402
"1283968"	524.278402	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Cl"	34.969402
"19965"	1015.566606	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M-2H+K"	36.948606
"458431"	1504.875606	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M-2H+K"	36.948606
"834048"	526.257606	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-2H+K"	36.948606
"1558629"	526.257606	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+K-2H"	36.948606
"956730"	534.307194	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-H+HCOOH"	44.998194
"374579"	1023.616201	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+HCOOH-H"	44.998201
"360531"	1037.631851	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+Hac-H"	59.013851
"1508161"	548.322851	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Hac-H"	59.013851
"973638"	556.289151	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-H+NaCOOH"	66.980151
"125502"	524.278402	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+2Cl"	69.938804
"565507"	768.932902	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+2Cl"	69.938804
"1036491"	279.623902	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2Cl"	69.938804
"1256681"	568.227885	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Br"	78.918885
"1319367"	570.283872	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Cl+HCOOH"	80.974872
"1334915"	592.265829	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Cl+NaCOOH"	102.956829
"924515"	602.294586	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M-H+CF3COOH"	112.985586
"1298305"	638.271264	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Cl+CF3COOH"	148.962264
"1381818"	454.296324	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H-2H2O"	-35.012676
"1395787"	472.3063	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H-H2O"	-17.0027
"293287"	979.625276	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+H"	1.007276
"681698"	1468.934276	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+H"	1.007276
"1362787"	490.316276	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H"	1.007276
"135310"	490.316276	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+2H"	2.014552
"576694"	734.970776	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+2H"	2.014552
"1048410"	245.661776	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2H"	2.014552
"216676"	327.213276	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+3H"	3.021828
"657693"	490.316276	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+3H"	3.021828
"1175455"	164.110276	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+3H"	3.021828
"435810"	996.651823	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+NH4"	18.033823
"794616"	1485.960823	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+NH4"	18.033823
"1687667"	507.342823	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+NH4"	18.033823
"334851"	498.8295495	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+H+NH4"	19.041099
"727274"	743.4840495	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+H+NH4"	19.041099
"1477446"	254.1750495	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H+NH4"	19.041099
"396492"	1001.607218	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+Na"	22.989218
"760770"	1490.916218	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+Na"	22.989218
"1612149"	512.298218	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Na"	22.989218
"314770"	501.307247	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+H+Na"	23.996494
"710230"	745.961747	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+H+Na"	23.996494
"1472811"	256.652747	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H+Na"	23.996494
"1067033"	171.43759	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2H+Na"	25.00377
"1270775"	522.342486	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+CH3OH+H"	33.033486
"391905"	1017.581158	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+K"	38.963158
"748402"	1506.890158	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+K"	38.963158
"1549362"	528.272158	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+K"	38.963158
"308725"	509.294217	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+H+K"	39.970434
"702239"	753.948717	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+H+K"	39.970434
"1454966"	264.639717	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H+K"	39.970434
"246849"	1020.651826	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+ACN+H"	42.033826
"1220650"	531.342826	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+ACN+H"	42.033826
"1202343"	266.175051	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+ACN+2H"	43.041102
"197401"	1023.58916	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+2Na-H"	44.97116
"640244"	1512.89816	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+2Na-H"	44.97116
"1138282"	534.28016	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2Na-H"	44.97116
"181575"	512.298218	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+2Na"	45.978436
"620043"	756.952718	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+2Na"	45.978436
"1123186"	267.643718	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2Na"	45.978436
"1404884"	178.764904	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H+2Na"	46.985712
"1432626"	536.321746	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H+HCOOH"	47.012746
"225609"	517.33124	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+3H2O+2H"	56.04448
"1515859"	550.37379	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+IsoProp+H"	61.06479
"422114"	520.285188	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+Na+K"	61.952376
"783472"	764.939688	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+Na+K"	61.952376
"1681140"	275.630688	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Na+K"	61.952376
"263045"	1042.633768	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+ACN+Na"	64.015768
"1239399"	553.324768	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+ACN+Na"	64.015768
"1726098"	553.348293	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+NH4+HCOOH"	64.039293
"1192911"	186.092218	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+3Na"	68.967654
"1656243"	558.303688	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Na+HCOOH"	68.994688
"164196"	1055.53704	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+2K-H"	76.91904
"603757"	1544.84604	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+2K-H"	76.91904
"1093737"	566.22804	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2K-H"	76.91904
"151646"	528.272158	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"2M+2K"	77.926316
"586833"	772.926658	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"3M+2K"	77.926316
"1070979"	283.617658	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2K"	77.926316
"1104553"	568.242592	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2K+H"	78.933592
"1339843"	568.330207	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+DMSO+H"	79.021207
"1009467"	572.369376	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2ACN+H"	83.060376
"1529779"	573.363008	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+IsoProp+Na+H"	84.054008
"994041"	286.688326	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+2ACN+2H"	84.067652
"1594014"	574.277628	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+K+HCOOH"	84.968628
"1418580"	604.309138	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+H+CF3COOH"	115.000138
"1154338"	307.201601	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+3ACN+2H"	125.094202
"1703889"	621.335685	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+NH4+CF3COOH"	132.026685
"1635893"	626.29108	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+Na+CF3COOH"	136.98208
"1571909"	642.26502	"C15687"	"Borrelidin"	"C28H43NO6"	"489.309"	"M+K+CF3COOH"	152.95602
"802278"	500.3614	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M"	0
"976902"	481.34301	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-H2O-H"	-19.01839
"69520"	332.566990666667	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M-3H"	-3.021828
"511268"	499.354124	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M-3H"	-3.021828
"890164"	165.779857333333	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-3H"	-3.021828
"9833"	499.354124	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M-2H"	-2.014552
"453766"	749.534824	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M-2H"	-2.014552
"827195"	249.173424	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-2H"	-2.014552
"89374"	999.715524	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M-H"	-1.007276
"528934"	1500.076924	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M-H"	-1.007276
"900538"	499.354124	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-H"	-1.007276
"55642"	1016.742071	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M-2H+NH4"	16.019271
"491558"	1517.103471	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M-2H+NH4"	16.019271
"877994"	516.380671	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-2H+NH4"	16.019271
"43099"	1021.697466	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M-2H+Na"	20.974666
"483751"	1522.058866	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M-2H+Na"	20.974666
"859373"	521.336066	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-2H+Na"	20.974666
"1631464"	521.336066	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Na-2H"	20.974666
"107996"	517.342463	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M-H+Cl"	33.962126
"547187"	767.523163	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M-H+Cl"	33.962126
"939608"	267.161763	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-H+Cl"	33.962126
"272697"	1035.692202	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+Cl"	34.969402
"664024"	1536.053602	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+Cl"	34.969402
"1285172"	535.330802	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Cl"	34.969402
"18008"	1037.671406	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M-2H+K"	36.948606
"457448"	1538.032806	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M-2H+K"	36.948606
"835252"	537.310006	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-2H+K"	36.948606
"1557645"	537.310006	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+K-2H"	36.948606
"945529"	545.359594	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-H+HCOOH"	44.998194
"362283"	1045.721001	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+HCOOH-H"	44.998201
"358205"	1059.736651	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+Hac-H"	59.013851
"1505954"	559.375251	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Hac-H"	59.013851
"973020"	567.341551	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-H+NaCOOH"	66.980151
"125645"	535.330802	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+2Cl"	69.938804
"565333"	785.511502	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+2Cl"	69.938804
"1036723"	285.150102	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2Cl"	69.938804
"1256056"	579.280285	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Br"	78.918885
"1318504"	581.336272	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Cl+HCOOH"	80.974872
"1335270"	603.318229	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Cl+NaCOOH"	102.956829
"925477"	613.346986	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M-H+CF3COOH"	112.985586
"1299510"	649.323664	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Cl+CF3COOH"	148.962264
"1381197"	465.348724	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H-2H2O"	-35.012676
"1395168"	483.3587	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H-H2O"	-17.0027
"296558"	1001.730076	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+H"	1.007276
"678891"	1502.091476	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+H"	1.007276
"1362897"	501.368676	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H"	1.007276
"135422"	501.368676	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+2H"	2.014552
"576076"	751.549376	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+2H"	2.014552
"1047063"	251.187976	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2H"	2.014552
"217151"	334.581542666667	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+3H"	3.021828
"655616"	501.368676	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+3H"	3.021828
"1175931"	167.794409333333	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+3H"	3.021828
"437013"	1018.756623	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+NH4"	18.033823
"794726"	1519.118023	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+NH4"	18.033823
"1687776"	518.395223	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+NH4"	18.033823
"333138"	509.8819495	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+H+NH4"	19.041099
"727384"	760.0626495	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+H+NH4"	19.041099
"1478285"	259.7012495	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H+NH4"	19.041099
"394535"	1023.712018	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+Na"	22.989218
"760880"	1524.073418	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+Na"	22.989218
"1606792"	523.350618	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Na"	22.989218
"317190"	512.359647	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+H+Na"	23.996494
"710340"	762.540347	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+H+Na"	23.996494
"1475960"	262.178947	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H+Na"	23.996494
"1067507"	175.121723333333	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2H+Na"	25.00377
"1272060"	533.394886	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+CH3OH+H"	33.033486
"389704"	1039.685958	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+K"	38.963158
"751429"	1540.047358	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+K"	38.963158
"1552752"	539.324558	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+K"	38.963158
"307740"	520.346617	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+H+K"	39.970434
"701254"	770.527317	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+H+K"	39.970434
"1459085"	270.165917	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H+K"	39.970434
"245865"	1042.756626	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+ACN+H"	42.033826
"1220759"	542.395226	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+ACN+H"	42.033826
"1206470"	271.701251	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+ACN+2H"	43.041102
"199701"	1045.69396	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+2Na-H"	44.97116
"639260"	1546.05536	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+2Na-H"	44.97116
"1137661"	545.33256	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2Na-H"	44.97116
"179498"	523.350618	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+2Na"	45.978436
"622340"	773.531318	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+2Na"	45.978436
"1124025"	273.169918	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2Na"	45.978436
"1406087"	182.449037333333	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H+2Na"	46.985712
"1436017"	547.374146	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H+HCOOH"	47.012746
"221330"	528.38364	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+3H2O+2H"	56.04448
"1508915"	561.42619	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+IsoProp+H"	61.06479
"423317"	531.337588	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+Na+K"	61.952376
"782125"	781.518288	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+Na+K"	61.952376
"1681081"	281.156888	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Na+K"	61.952376
"264977"	1064.738568	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+ACN+Na"	64.015768
"1239144"	564.377168	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+ACN+Na"	64.015768
"1726210"	564.400693	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+NH4+HCOOH"	64.039293
"1193142"	189.776351333333	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+3Na"	68.967654
"1658539"	569.356088	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Na+HCOOH"	68.994688
"163213"	1077.64184	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+2K-H"	76.91904
"603867"	1578.00324	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+2K-H"	76.91904
"1093846"	577.28044	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2K-H"	76.91904
"153942"	539.324558	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"2M+2K"	77.926316
"589130"	789.505258	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"3M+2K"	77.926316
"1071819"	289.143858	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2K"	77.926316
"1106850"	579.294992	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2K+H"	78.933592
"1341047"	579.382607	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+DMSO+H"	79.021207
"1010671"	583.421776	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2ACN+H"	83.060376
"1528796"	584.415408	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+IsoProp+Na+H"	84.054008
"999619"	292.214526	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+2ACN+2H"	84.067652
"1593028"	585.330028	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+K+HCOOH"	84.968628
"1420876"	615.361538	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+H+CF3COOH"	115.000138
"1151164"	312.727801	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+3ACN+2H"	125.094202
"1707279"	632.388085	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+NH4+CF3COOH"	132.026685
"1635273"	637.34348	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+Na+CF3COOH"	136.98208
"1573110"	653.31742	"C15688"	"Vicenistatin"	"C30H48N2O4"	"500.3614"	"M+K+CF3COOH"	152.95602
"804576"	397.1525	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M"	0
"977013"	378.13411	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-H2O-H"	-19.01839
"68536"	263.761057333333	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M-3H"	-3.021828
"514658"	396.145224	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M-3H"	-3.021828
"890274"	131.376890666667	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-3H"	-3.021828
"13952"	396.145224	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M-2H"	-2.014552
"450596"	594.721474	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M-2H"	-2.014552
"827305"	197.568974	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-2H"	-2.014552
"93737"	793.297724	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M-H"	-1.007276
"525764"	1190.450224	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M-H"	-1.007276
"902472"	396.145224	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-H"	-1.007276
"54659"	810.324271	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M-2H+NH4"	16.019271
"493126"	1207.476771	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M-2H+NH4"	16.019271
"879605"	413.171771	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-2H+NH4"	16.019271
"45395"	815.279666	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M-2H+Na"	20.974666
"483861"	1212.432166	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M-2H+Na"	20.974666
"862763"	418.127166	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-2H+Na"	20.974666
"1632303"	418.127166	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Na-2H"	20.974666
"108834"	414.133563	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M-H+Cl"	33.962126
"545112"	612.709813	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M-H+Cl"	33.962126
"940447"	215.557313	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-H+Cl"	33.962126
"272807"	829.274402	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+Cl"	34.969402
"664134"	1226.426902	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+Cl"	34.969402
"1287468"	432.121902	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Cl"	34.969402
"20183"	831.253606	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M-2H+K"	36.948606
"458651"	1228.406106	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M-2H+K"	36.948606
"836454"	434.101106	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-2H+K"	36.948606
"1559941"	434.101106	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+K-2H"	36.948606
"944180"	442.150694	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-H+HCOOH"	44.998194
"362758"	839.303201	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+HCOOH-H"	44.998201
"357586"	853.318851	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+Hac-H"	59.013851
"1506064"	456.166351	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Hac-H"	59.013851
"974028"	464.132651	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-H+NaCOOH"	66.980151
"124949"	432.121902	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+2Cl"	69.938804
"565117"	630.698152	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+2Cl"	69.938804
"1036915"	233.545652	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2Cl"	69.938804
"1256694"	476.071385	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Br"	78.918885
"1319096"	478.127372	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Cl+HCOOH"	80.974872
"1334650"	500.109329	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Cl+NaCOOH"	102.956829
"927018"	510.138086	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M-H+CF3COOH"	112.985586
"1300713"	546.114764	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Cl+CF3COOH"	148.962264
"1382563"	362.139824	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H-2H2O"	-35.012676
"1397709"	380.1498	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H-H2O"	-17.0027
"296786"	795.312276	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+H"	1.007276
"684468"	1192.464776	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+H"	1.007276
"1353893"	398.159776	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H"	1.007276
"134803"	398.159776	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+2H"	2.014552
"576915"	596.736026	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+2H"	2.014552
"1049360"	199.583526	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2H"	2.014552
"216168"	265.775609333333	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+3H"	3.021828
"656819"	398.159776	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+3H"	3.021828
"1176040"	133.391442666667	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+3H"	3.021828
"434936"	812.338823	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+NH4"	18.033823
"794836"	1209.491323	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+NH4"	18.033823
"1685698"	415.186323	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+NH4"	18.033823
"332882"	406.6730495	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+H+NH4"	19.041099
"725667"	605.2492995	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+H+NH4"	19.041099
"1477904"	208.0967995	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H+NH4"	19.041099
"394888"	817.294218	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+Na"	22.989218
"756981"	1214.446718	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+Na"	22.989218
"1612369"	420.141718	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Na"	22.989218
"318029"	409.150747	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+H+Na"	23.996494
"711543"	607.726997	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+H+Na"	23.996494
"1465366"	210.574497	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H+Na"	23.996494
"1066278"	140.718756666667	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2H+Na"	25.00377
"1267959"	430.185986	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+CH3OH+H"	33.033486
"386533"	833.268158	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+K"	38.963158
"746435"	1230.420658	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+K"	38.963158
"1548488"	436.115658	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+K"	38.963158
"307850"	417.137717	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+H+K"	39.970434
"696990"	615.713967	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+H+K"	39.970434
"1458465"	218.561467	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H+K"	39.970434
"245974"	836.338826	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+ACN+H"	42.033826
"1217589"	439.186326	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+ACN+H"	42.033826
"1208644"	220.096801	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+ACN+2H"	43.041102
"200904"	839.27616	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+2Na-H"	44.97116
"639370"	1236.42866	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+2Na-H"	44.97116
"1138502"	442.12366	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2Na-H"	44.97116
"179608"	420.141718	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+2Na"	45.978436
"622450"	618.717968	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+2Na"	45.978436
"1124863"	221.565468	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2Na"	45.978436
"1401458"	148.046070666667	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H+2Na"	46.985712
"1438314"	444.165246	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H+HCOOH"	47.012746
"222171"	425.17474	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+3H2O+2H"	56.04448
"1509147"	458.21729	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+IsoProp+H"	61.06479
"423792"	428.128688	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+Na+K"	61.952376
"783328"	626.704938	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+Na+K"	61.952376
"1679294"	229.552438	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Na+K"	61.952376
"263994"	858.320768	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+ACN+Na"	64.015768
"1240834"	461.168268	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+ACN+Na"	64.015768
"1727414"	461.191793	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+NH4+HCOOH"	64.039293
"1193619"	155.373384666667	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+3Na"	68.967654
"1657556"	466.147188	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Na+HCOOH"	68.994688
"163323"	871.22404	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+2K-H"	76.91904
"602883"	1268.37654	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+2K-H"	76.91904
"1093956"	474.07154	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2K-H"	76.91904
"152959"	436.115658	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"2M+2K"	77.926316
"589240"	634.691908	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"3M+2K"	77.926316
"1071564"	237.539408	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2K"	77.926316
"1106960"	476.086092	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2K+H"	78.933592
"1340063"	476.173707	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+DMSO+H"	79.021207
"1009687"	480.212876	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2ACN+H"	83.060376
"1528906"	481.206508	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+IsoProp+Na+H"	84.054008
"998635"	240.610076	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+2ACN+2H"	84.067652
"1593138"	482.121128	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+K+HCOOH"	84.968628
"1420986"	512.152638	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+H+CF3COOH"	115.000138
"1151274"	261.123351	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+3ACN+2H"	125.094202
"1707389"	529.179185	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+NH4+CF3COOH"	132.026685
"1635383"	534.13458	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+Na+CF3COOH"	136.98208
"1571886"	550.10852	"C15689"	"Aureothin"	"C22H23NO6"	"397.1525"	"M+K+CF3COOH"	152.95602
"801434"	750.4918	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M"	0
"974936"	731.47341	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-H2O-H"	-19.01839
"69740"	499.320590666667	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M-3H"	-3.021828
"511488"	749.484524	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M-3H"	-3.021828
"888197"	249.156657333333	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-3H"	-3.021828
"13333"	749.484524	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M-2H"	-2.014552
"449612"	1124.730424	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M-2H"	-2.014552
"827415"	374.238624	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-2H"	-2.014552
"90688"	1499.976324	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M-H"	-1.007276
"525874"	2250.468124	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M-H"	-1.007276
"897843"	749.484524	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-H"	-1.007276
"52582"	1517.002871	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M-2H+NH4"	16.019271
"489591"	2267.494671	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M-2H+NH4"	16.019271
"875419"	766.511071	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-2H+NH4"	16.019271
"43319"	1521.958266	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M-2H+Na"	20.974666
"479598"	2272.450066	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M-2H+Na"	20.974666
"862873"	771.466466	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-2H+Na"	20.974666
"1632408"	771.466466	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Na-2H"	20.974666
"109709"	767.472863	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M-H+Cl"	33.962126
"546312"	1142.718763	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M-H+Cl"	33.962126
"937639"	392.226963	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-H+Cl"	33.962126
"275103"	1535.953002	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+Cl"	34.969402
"670804"	2286.444802	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+Cl"	34.969402
"1281018"	785.461202	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Cl"	34.969402
"18111"	1537.932206	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M-2H+K"	36.948606
"457670"	2288.424006	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M-2H+K"	36.948606
"837660"	787.440406	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-2H+K"	36.948606
"1557135"	787.440406	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+K-2H"	36.948606
"945752"	795.489994	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-H+HCOOH"	44.998194
"363963"	1545.981801	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+HCOOH-H"	44.998201
"360617"	1559.997451	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+Hac-H"	59.013851
"1507688"	809.505651	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Hac-H"	59.013851
"973685"	817.471951	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-H+NaCOOH"	66.980151
"125631"	785.461202	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+2Cl"	69.938804
"565473"	1160.707102	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+2Cl"	69.938804
"1036659"	410.215302	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2Cl"	69.938804
"1256155"	829.410685	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Br"	78.918885
"1318844"	831.466672	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Cl+HCOOH"	80.974872
"1335410"	853.448629	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Cl+NaCOOH"	102.956829
"926184"	863.477386	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M-H+CF3COOH"	112.985586
"1301917"	899.454064	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Cl+CF3COOH"	148.962264
"1381295"	715.479124	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H-2H2O"	-35.012676
"1398066"	733.4891	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H-H2O"	-17.0027
"296532"	1501.990876	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+H"	1.007276
"682027"	2252.482676	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+H"	1.007276
"1354003"	751.499076	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H"	1.007276
"134548"	751.499076	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+2H"	2.014552
"575931"	1126.744976	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+2H"	2.014552
"1047647"	376.253176	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2H"	2.014552
"216277"	501.335142666667	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+3H"	3.021828
"656929"	751.499076	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+3H"	3.021828
"1176150"	251.171209333333	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+3H"	3.021828
"435046"	1519.017423	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+NH4"	18.033823
"794946"	2269.509223	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+NH4"	18.033823
"1686902"	768.525623	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+NH4"	18.033823
"333358"	760.0123495	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+H+NH4"	19.041099
"724685"	1135.2582495	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+H+NH4"	19.041099
"1477773"	384.7664495	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H+NH4"	19.041099
"396091"	1523.972818	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+Na"	22.989218
"757820"	2274.464618	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+Na"	22.989218
"1611385"	773.481018	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Na"	22.989218
"317410"	762.490047	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+H+Na"	23.996494
"710560"	1137.735947	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+H+Na"	23.996494
"1462800"	387.244147	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H+Na"	23.996494
"1064201"	258.498523333333	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2H+Na"	25.00377
"1268068"	783.525286	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+CH3OH+H"	33.033486
"386643"	1539.946758	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+K"	38.963158
"744358"	2290.438558	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+K"	38.963158
"1546412"	789.454958	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+K"	38.963158
"304681"	770.477017	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+H+K"	39.970434
"697100"	1145.722917	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+H+K"	39.970434
"1452014"	395.231117	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H+K"	39.970434
"248271"	1543.017426	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+ACN+H"	42.033826
"1218792"	792.525626	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+ACN+H"	42.033826
"1203770"	396.766451	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+ACN+2H"	43.041102
"199921"	1545.95476	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+2Na-H"	44.97116
"640209"	2296.44656	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+2Na-H"	44.97116
"1136425"	795.46296	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2Na-H"	44.97116
"175465"	773.481018	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+2Na"	45.978436
"617091"	1148.726918	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+2Na"	45.978436
"1123879"	398.235118	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2Na"	45.978436
"1404121"	265.825837333333	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H+2Na"	46.985712
"1437332"	797.504546	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H+HCOOH"	47.012746
"220376"	778.51404	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+3H2O+2H"	56.04448
"1508568"	811.55659	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+IsoProp+H"	61.06479
"418790"	781.467988	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+Na+K"	61.952376
"782705"	1156.713888	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+Na+K"	61.952376
"1678675"	406.222088	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Na+K"	61.952376
"264103"	1564.999368	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+ACN+Na"	64.015768
"1239364"	814.507568	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+ACN+Na"	64.015768
"1726429"	814.531093	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+NH4+HCOOH"	64.039293
"1193608"	273.153151333333	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+3Na"	68.967654
"1656571"	819.486488	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Na+HCOOH"	68.994688
"160515"	1577.90264	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+2K-H"	76.91904
"600805"	2328.39444	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+2K-H"	76.91904
"1090785"	827.41084	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2K-H"	76.91904
"150883"	789.454958	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"2M+2K"	77.926316
"587164"	1164.700858	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"3M+2K"	77.926316
"1071673"	414.209058	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2K"	77.926316
"1105976"	829.425392	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2K+H"	78.933592
"1340173"	829.513007	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+DMSO+H"	79.021207
"1009797"	833.552176	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2ACN+H"	83.060376
"1527922"	834.545808	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+IsoProp+Na+H"	84.054008
"997651"	417.279726	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+2ACN+2H"	84.067652
"1593247"	835.460428	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+K+HCOOH"	84.968628
"1421096"	865.491938	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+H+CF3COOH"	115.000138
"1151384"	437.793001	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+3ACN+2H"	125.094202
"1707499"	882.518485	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+NH4+CF3COOH"	132.026685
"1634764"	887.47388	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+Na+CF3COOH"	136.98208
"1572239"	903.44782	"C15690"	"Salinomycin"	"C42H70O11"	"750.4918"	"M+K+CF3COOH"	152.95602
"802609"	952.4542	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M"	0
"975412"	933.43581	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-H2O-H"	-19.01839
"68758"	633.962190666667	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M-3H"	-3.021828
"513784"	951.446924	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M-3H"	-3.021828
"891587"	316.477457333333	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-3H"	-3.021828
"10163"	951.446924	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M-2H"	-2.014552
"453005"	1427.674024	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M-2H"	-2.014552
"823152"	475.219824	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-2H"	-2.014552
"91529"	1903.901124	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M-H"	-1.007276
"529998"	2856.355324	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M-H"	-1.007276
"903787"	951.446924	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-H"	-1.007276
"57068"	1920.927671	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M-2H+NH4"	16.019271
"494442"	2873.381871	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M-2H+NH4"	16.019271
"875529"	968.473471	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-2H+NH4"	16.019271
"43065"	1925.883066	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M-2H+Na"	20.974666
"485909"	2878.337266	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M-2H+Na"	20.974666
"862255"	973.428866	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-2H+Na"	20.974666
"1631791"	973.428866	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Na-2H"	20.974666
"107592"	969.435263	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M-H+Cl"	33.962126
"545330"	1445.662363	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M-H+Cl"	33.962126
"938844"	493.208163	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-H+Cl"	33.962126
"277400"	1939.877802	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+Cl"	34.969402
"667634"	2892.332002	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+Cl"	34.969402
"1285503"	987.423602	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Cl"	34.969402
"19314"	1941.857006	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M-2H+K"	36.948606
"458873"	2894.311206	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M-2H+K"	36.948606
"838864"	989.402806	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-2H+K"	36.948606
"1561257"	989.402806	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+K-2H"	36.948606
"944769"	997.452394	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-H+HCOOH"	44.998194
"363344"	1949.906601	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+HCOOH-H"	44.998201
"361351"	1963.922251	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+Hac-H"	59.013851
"1507502"	1011.468051	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Hac-H"	59.013851
"974177"	1019.434351	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-H+NaCOOH"	66.980151
"125680"	987.423602	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+2Cl"	69.938804
"565555"	1463.650702	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+2Cl"	69.938804
"1036973"	511.196502	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2Cl"	69.938804
"1256630"	1031.373085	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Br"	78.918885
"1318587"	1033.429072	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Cl+HCOOH"	80.974872
"1332804"	1055.411029	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Cl+NaCOOH"	102.956829
"926777"	1065.439786	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M-H+CF3COOH"	112.985586
"1302027"	1101.416464	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Cl+CF3COOH"	148.962264
"1379826"	917.441524	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H-2H2O"	-35.012676
"1391123"	935.4515	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H-H2O"	-17.0027
"294822"	1905.915676	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+H"	1.007276
"679952"	2858.369876	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+H"	1.007276
"1355206"	953.461476	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H"	1.007276
"133204"	953.461476	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+2H"	2.014552
"576773"	1429.688576	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+2H"	2.014552
"1045937"	477.234376	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2H"	2.014552
"216756"	635.976742666667	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+3H"	3.021828
"654492"	953.461476	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+3H"	3.021828
"1175534"	318.492009333333	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+3H"	3.021828
"436984"	1922.942223	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+NH4"	18.033823
"794696"	2875.396423	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+NH4"	18.033823
"1691756"	970.488023	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+NH4"	18.033823
"342220"	961.9747495	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+H+NH4"	19.041099
"728807"	1438.2018495	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+H+NH4"	19.041099
"1481534"	485.7476495	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H+NH4"	19.041099
"403132"	1927.897618	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+Na"	22.989218
"764859"	2880.351818	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+Na"	22.989218
"1610405"	975.443418	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Na"	22.989218
"318254"	964.452447	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+H+Na"	23.996494
"709582"	1440.679547	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+H+Na"	23.996494
"1467777"	488.225347	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H+Na"	23.996494
"1058845"	325.819323333333	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2H+Na"	25.00377
"1264898"	985.487686	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+CH3OH+H"	33.033486
"382380"	1943.871558	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+K"	38.963158
"743377"	2896.325758	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+K"	38.963158
"1549803"	991.417358	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+K"	38.963158
"309165"	972.439417	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+H+K"	39.970434
"702681"	1448.666517	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+H+K"	39.970434
"1454313"	496.212317	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H+K"	39.970434
"246194"	1946.942226	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+ACN+H"	42.033826
"1218905"	994.488026	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+ACN+H"	42.033826
"1206798"	497.747651	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+ACN+2H"	43.041102
"198944"	1949.87956	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+2Na-H"	44.97116
"637407"	2902.33376	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+2Na-H"	44.97116
"1140909"	997.42536	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2Na-H"	44.97116
"177642"	975.443418	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+2Na"	45.978436
"619389"	1451.670518	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+2Na"	45.978436
"1122895"	499.216318	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2Na"	45.978436
"1406421"	333.146637333333	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H+2Na"	46.985712
"1436349"	999.466946	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H+HCOOH"	47.012746
"221297"	980.47644	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+3H2O+2H"	56.04448
"1510462"	1013.51899	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+IsoProp+H"	61.06479
"414889"	983.430388	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+Na+K"	61.952376
"782815"	1459.657488	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+Na+K"	61.952376
"1677325"	507.203288	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Na+K"	61.952376
"262391"	1968.924168	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+ACN+Na"	64.015768
"1234005"	1016.469968	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+ACN+Na"	64.015768
"1723621"	1016.493493	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+NH4+HCOOH"	64.039293
"1185694"	340.473951333333	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+3Na"	68.967654
"1657772"	1021.448888	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Na+HCOOH"	68.994688
"160262"	1981.82744	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+2K-H"	76.91904
"601278"	2934.28164	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+2K-H"	76.91904
"1086519"	1029.37324	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2K-H"	76.91904
"148804"	991.417358	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"2M+2K"	77.926316
"587272"	1467.644458	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"3M+2K"	77.926316
"1071052"	515.190258	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2K"	77.926316
"1100372"	1031.387792	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2K+H"	78.933592
"1343563"	1031.475407	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+DMSO+H"	79.021207
"1009904"	1035.514576	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2ACN+H"	83.060376
"1525115"	1036.508208	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+IsoProp+Na+H"	84.054008
"996666"	518.260926	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+2ACN+2H"	84.067652
"1596636"	1037.422828	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+K+HCOOH"	84.968628
"1417922"	1067.454338	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+H+CF3COOH"	115.000138
"1154772"	538.774201	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+3ACN+2H"	125.094202
"1698856"	1084.480885	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+NH4+CF3COOH"	132.026685
"1636696"	1089.43628	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+Na+CF3COOH"	136.98208
"1571985"	1105.41022	"C15691"	"Anabaenopeptilide 90A"	"C46H64N8O14"	"952.4542"	"M+K+CF3COOH"	152.95602
"803813"	972.3996	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M"	0
"979532"	953.38121	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-H2O-H"	-19.01839
"72148"	647.259124	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M-3H"	-3.021828
"517175"	971.392324	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M-3H"	-3.021828
"894977"	323.125924	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-3H"	-3.021828
"14649"	971.392324	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M-2H"	-2.014552
"454209"	1457.592124	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M-2H"	-2.014552
"831408"	485.192524	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-2H"	-2.014552
"91641"	1943.791924	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M-H"	-1.007276
"532053"	2916.191524	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M-H"	-1.007276
"904993"	971.392324	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-H"	-1.007276
"60095"	1960.818471	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M-2H+NH4"	16.019271
"497833"	2933.218071	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M-2H+NH4"	16.019271
"875638"	988.418871	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-2H+NH4"	16.019271
"43541"	1965.773866	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M-2H+Na"	20.974666
"480916"	2938.173466	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M-2H+Na"	20.974666
"857626"	993.374266	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-2H+Na"	20.974666
"1631535"	993.374266	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Na-2H"	20.974666
"106608"	989.380663	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M-H+Cl"	33.962126
"544348"	1475.580463	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M-H+Cl"	33.962126
"936768"	503.180863	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-H+Cl"	33.962126
"279335"	1979.768602	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+Cl"	34.969402
"664464"	2952.168202	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+Cl"	34.969402
"1279052"	1007.369002	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Cl"	34.969402
"18330"	1981.747806	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M-2H+K"	36.948606
"465544"	2954.147406	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M-2H+K"	36.948606
"841161"	1009.348206	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-2H+K"	36.948606
"1560276"	1009.348206	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+K-2H"	36.948606
"949251"	1017.397794	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-H+HCOOH"	44.998194
"366371"	1989.797401	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+HCOOH-H"	44.998201
"359010"	2003.813051	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+Hac-H"	59.013851
"1507732"	1031.413451	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Hac-H"	59.013851
"973818"	1039.379751	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-H+NaCOOH"	66.980151
"125400"	1007.369002	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+2Cl"	69.938804
"565082"	1493.568802	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+2Cl"	69.938804
"1036671"	521.169202	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2Cl"	69.938804
"1255889"	1051.318485	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Br"	78.918885
"1318697"	1053.374472	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Cl+HCOOH"	80.974872
"1333277"	1075.356429	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Cl+NaCOOH"	102.956829
"926766"	1085.385186	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M-H+CF3COOH"	112.985586
"1303232"	1121.361864	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Cl+CF3COOH"	148.962264
"1382413"	937.386924	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H-2H2O"	-35.012676
"1395243"	955.3969	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H-H2O"	-17.0027
"296390"	1945.806476	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+H"	1.007276
"681155"	2918.206076	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+H"	1.007276
"1361515"	973.406876	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H"	1.007276
"133314"	973.406876	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+2H"	2.014552
"579800"	1459.606676	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+2H"	2.014552
"1048599"	487.207076	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2H"	2.014552
"215772"	649.273676	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+3H"	3.021828
"656060"	973.406876	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+3H"	3.021828
"1173456"	325.140476	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+3H"	3.021828
"436002"	1962.833023	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+NH4"	18.033823
"798451"	2935.232623	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+NH4"	18.033823
"1693324"	990.433423	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+NH4"	18.033823
"341235"	981.9201495	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+H+NH4"	19.041099
"734383"	1468.1199495	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+H+NH4"	19.041099
"1483101"	495.7203495	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H+NH4"	19.041099
"403607"	1967.788418	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+Na"	22.989218
"766061"	2940.188018	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+Na"	22.989218
"1613431"	995.388818	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Na"	22.989218
"318363"	984.397847	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+H+Na"	23.996494
"712973"	1470.597647	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+H+Na"	23.996494
"1467887"	498.198047	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H+Na"	23.996494
"1061143"	332.46779	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2H+Na"	25.00377
"1262822"	1005.433086	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+CH3OH+H"	33.033486
"387959"	1983.762358	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+K"	38.963158
"742393"	2956.161958	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+K"	38.963158
"1547726"	1011.362758	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+K"	38.963158
"305995"	992.384817	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+H+K"	39.970434
"697323"	1478.584617	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+H+K"	39.970434
"1452235"	506.185017	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H+K"	39.970434
"244121"	1986.833026	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+ACN+H"	42.033826
"1220109"	1014.433426	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+ACN+H"	42.033826
"1205087"	507.720351	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+ACN+2H"	43.041102
"201237"	1989.77036	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+2Na-H"	44.97116
"640434"	2962.16996	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+2Na-H"	44.97116
"1139929"	1017.37076	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2Na-H"	44.97116
"181033"	995.388818	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+2Na"	45.978436
"622780"	1481.588618	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+2Na"	45.978436
"1119725"	509.189018	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2Na"	45.978436
"1411268"	339.795104	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H+2Na"	46.985712
"1438646"	1019.412346	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H+HCOOH"	47.012746
"220170"	1000.42184	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+3H2O+2H"	56.04448
"1509966"	1033.46439	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+IsoProp+H"	61.06479
"416093"	1003.375788	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+Na+K"	61.952376
"780373"	1489.575588	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+Na+K"	61.952376
"1676705"	517.175988	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Na+K"	61.952376
"259946"	2008.814968	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+ACN+Na"	64.015768
"1235208"	1036.415368	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+ACN+Na"	64.015768
"1723365"	1036.438893	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+NH4+HCOOH"	64.039293
"1185804"	347.122418	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+3Na"	68.967654
"1660071"	1041.394288	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Na+HCOOH"	68.994688
"162558"	2021.71824	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+2K-H"	76.91904
"603211"	2994.11784	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+2K-H"	76.91904
"1091005"	1049.31864	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2K-H"	76.91904
"148914"	1011.362758	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"2M+2K"	77.926316
"591756"	1497.562558	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"3M+2K"	77.926316
"1072256"	525.162958	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2K"	77.926316
"1107289"	1051.333192	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2K+H"	78.933592
"1348047"	1051.420807	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+DMSO+H"	79.021207
"1008193"	1055.459976	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2ACN+H"	83.060376
"1533609"	1056.453608	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+IsoProp+Na+H"	84.054008
"994589"	528.233626	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+2ACN+2H"	84.067652
"1595652"	1057.368228	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+K+HCOOH"	84.968628
"1416938"	1087.399738	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+H+CF3COOH"	115.000138
"1149415"	548.746901	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+3ACN+2H"	125.094202
"1697023"	1104.426285	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+NH4+CF3COOH"	132.026685
"1634982"	1109.38168	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+Na+CF3COOH"	136.98208
"1571730"	1125.35562	"C15692"	"Anabaenopeptilide 90B"	"C45H61ClN8O14"	"972.3996"	"M+K+CF3COOH"	152.95602
"805016"	460.0546	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M"	0
"975996"	441.03621	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-H2O-H"	-19.01839
"68978"	305.695790666667	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M-3H"	-3.021828
"515098"	459.047324	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M-3H"	-3.021828
"893994"	152.344257333333	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-3H"	-3.021828
"13664"	459.047324	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M-2H"	-2.014552
"455171"	689.074624	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M-2H"	-2.014552
"829814"	229.020024	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-2H"	-2.014552
"87742"	919.101924	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M-H"	-1.007276
"529488"	1379.156524	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M-H"	-1.007276
"904007"	459.047324	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-H"	-1.007276
"59477"	936.128471	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M-2H+NH4"	16.019271
"497944"	1396.183071	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M-2H+NH4"	16.019271
"879031"	476.073871	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-2H+NH4"	16.019271
"43649"	941.083866	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M-2H+Na"	20.974666
"485402"	1401.138466	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M-2H+Na"	20.974666
"861016"	481.029266	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-2H+Na"	20.974666
"1632011"	481.029266	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Na-2H"	20.974666
"107084"	477.035663	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M-H+Cl"	33.962126
"546644"	707.062963	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M-H+Cl"	33.962126
"939065"	247.008363	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-H+Cl"	33.962126
"274338"	955.078602	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+Cl"	34.969402
"664574"	1415.133202	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+Cl"	34.969402
"1278070"	495.024002	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Cl"	34.969402
"19533"	957.057806	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M-2H+K"	36.948606
"465654"	1417.112406	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M-2H+K"	36.948606
"839085"	497.003206	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-2H+K"	36.948606
"1562574"	497.003206	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+K-2H"	36.948606
"950454"	505.052794	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-H+HCOOH"	44.998194
"367574"	965.107401	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+HCOOH-H"	44.998201
"360830"	979.123051	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+Hac-H"	59.013851
"1507601"	519.068451	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Hac-H"	59.013851
"973405"	527.034751	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-H+NaCOOH"	66.980151
"123687"	495.024002	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+2Cl"	69.938804
"563858"	725.051302	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+2Cl"	69.938804
"1035689"	264.996702	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2Cl"	69.938804
"1255271"	538.973485	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Br"	78.918885
"1319172"	541.029472	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Cl+HCOOH"	80.974872
"1332293"	563.011429	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Cl+NaCOOH"	102.956829
"925544"	573.040186	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M-H+CF3COOH"	112.985586
"1303345"	609.016864	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Cl+CF3COOH"	148.962264
"1382519"	425.041924	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H-2H2O"	-35.012676
"1395718"	443.0519	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H-H2O"	-17.0027
"296134"	921.116476	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+H"	1.007276
"681265"	1381.171076	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+H"	1.007276
"1361624"	461.061876	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H"	1.007276
"138526"	461.061876	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+2H"	2.014552
"578451"	691.089176	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+2H"	2.014552
"1048708"	231.034576	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2H"	2.014552
"216608"	307.710342666667	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+3H"	3.021828
"657991"	461.061876	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+3H"	3.021828
"1176726"	154.358809333333	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+3H"	3.021828
"438540"	938.143023	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+NH4"	18.033823
"800383"	1398.197623	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+NH4"	18.033823
"1693796"	478.088423	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+NH4"	18.033823
"342073"	469.5751495	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+H+NH4"	19.041099
"731213"	699.6024495	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+H+NH4"	19.041099
"1479930"	239.5478495	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H+NH4"	19.041099
"398248"	943.098418	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+Na"	22.989218
"758151"	1403.153018	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+Na"	22.989218
"1612810"	483.043818	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Na"	22.989218
"319567"	472.052847	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+H+Na"	23.996494
"713082"	702.080147	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+H+Na"	23.996494
"1469088"	242.025547	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H+Na"	23.996494
"1059067"	161.686123333333	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2H+Na"	25.00377
"1266213"	493.088086	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+CH3OH+H"	33.033486
"386976"	959.072358	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+K"	38.963158
"743597"	1419.126958	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+K"	38.963158
"1547836"	499.017758	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+K"	38.963158
"305012"	480.039817	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+H+K"	39.970434
"701807"	710.067117	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+H+K"	39.970434
"1452346"	250.012517	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H+K"	39.970434
"245324"	962.143026	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+ACN+H"	42.033826
"1219126"	502.088426	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+ACN+H"	42.033826
"1205197"	251.547851	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+ACN+2H"	43.041102
"200255"	965.08036	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+2Na-H"	44.97116
"640544"	1425.13496	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+2Na-H"	44.97116
"1137853"	505.02576	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2Na-H"	44.97116
"180049"	483.043818	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+2Na"	45.978436
"615235"	713.071118	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+2Na"	45.978436
"1119836"	253.016518	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2Na"	45.978436
"1404453"	169.013437333333	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H+2Na"	46.985712
"1433290"	507.067346	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H+HCOOH"	47.012746
"221891"	488.07684	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+3H2O+2H"	56.04448
"1513235"	521.11939	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+IsoProp+H"	61.06479
"421671"	491.030788	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+Na+K"	61.952376
"780483"	721.058088	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+Na+K"	61.952376
"1673534"	261.003488	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Na+K"	61.952376
"255682"	984.124968	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+ACN+Na"	64.015768
"1233859"	524.070368	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+ACN+Na"	64.015768
"1721653"	524.093893	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+NH4+HCOOH"	64.039293
"1187007"	176.340751333333	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+3Na"	68.967654
"1660180"	529.049288	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Na+HCOOH"	68.994688
"163761"	997.02824	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+2K-H"	76.91904
"605507"	1457.08284	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+2K-H"	76.91904
"1088928"	536.97364	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2K-H"	76.91904
"150117"	499.017758	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"2M+2K"	77.926316
"589677"	729.045058	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"3M+2K"	77.926316
"1071273"	268.990458	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2K"	77.926316
"1102659"	538.988192	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2K+H"	78.933592
"1342689"	539.075807	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+DMSO+H"	79.021207
"1011218"	543.114976	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2ACN+H"	83.060376
"1534813"	544.108608	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+IsoProp+Na+H"	84.054008
"996885"	272.061126	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+2ACN+2H"	84.067652
"1592482"	545.023228	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+K+HCOOH"	84.968628
"1419235"	575.054738	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+H+CF3COOH"	115.000138
"1159365"	292.574401	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+3ACN+2H"	125.094202
"1697374"	592.081285	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+NH4+CF3COOH"	132.026685
"1635092"	597.03668	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+Na+CF3COOH"	136.98208
"1571475"	613.01062	"C15693"	"Barbamide"	"C20H23Cl3N2O2S"	"460.0546"	"M+K+CF3COOH"	152.95602
"804033"	477.2549	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M"	0
"975742"	458.23651	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-H2O-H"	-19.01839
"69088"	317.162657333333	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M-3H"	-3.021828
"517032"	476.247624	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M-3H"	-3.021828
"894470"	158.077690666667	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-3H"	-3.021828
"12681"	476.247624	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M-2H"	-2.014552
"455407"	714.875074	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M-2H"	-2.014552
"828952"	237.620174	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-2H"	-2.014552
"88945"	953.502524	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M-H"	-1.007276
"533122"	1430.757424	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M-H"	-1.007276
"903024"	476.247624	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-H"	-1.007276
"60680"	970.529071	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M-2H+NH4"	16.019271
"498054"	1447.783971	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M-2H+NH4"	16.019271
"878899"	493.274171	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-2H+NH4"	16.019271
"43759"	975.484466	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M-2H+Na"	20.974666
"485876"	1452.739366	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M-2H+Na"	20.974666
"861126"	498.229566	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-2H+Na"	20.974666
"1632849"	498.229566	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Na-2H"	20.974666
"107560"	494.235963	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M-H+Cl"	33.962126
"548457"	732.863413	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M-H+Cl"	33.962126
"940879"	255.608513	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-H+Cl"	33.962126
"281010"	989.479202	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+Cl"	34.969402
"665778"	1466.734102	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+Cl"	34.969402
"1281460"	512.224302	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Cl"	34.969402
"21828"	991.458406	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M-2H+K"	36.948606
"460296"	1468.713306	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M-2H+K"	36.948606
"843566"	514.203506	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-2H+K"	36.948606
"1563776"	514.203506	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+K-2H"	36.948606
"948378"	522.253094	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-H+HCOOH"	44.998194
"367685"	999.508001	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+HCOOH-H"	44.998201
"353755"	1013.523651	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+Hac-H"	59.013851
"1499311"	536.268751	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Hac-H"	59.013851
"973792"	544.235051	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-H+NaCOOH"	66.980151
"125258"	512.224302	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+2Cl"	69.938804
"565426"	750.851752	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+2Cl"	69.938804
"1036772"	273.596852	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2Cl"	69.938804
"1256687"	556.173785	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Br"	78.918885
"1319532"	558.229772	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Cl+HCOOH"	80.974872
"1335568"	580.211729	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Cl+NaCOOH"	102.956829
"926930"	590.240486	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M-H+CF3COOH"	112.985586
"1303940"	626.217164	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Cl+CF3COOH"	148.962264
"1382555"	442.242224	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H-2H2O"	-35.012676
"1395462"	460.2522	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H-H2O"	-17.0027
"298484"	955.517076	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+H"	1.007276
"688666"	1432.771976	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+H"	1.007276
"1364652"	478.262176	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H"	1.007276
"139002"	478.262176	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+2H"	2.014552
"578198"	716.889626	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+2H"	2.014552
"1049913"	239.634726	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2H"	2.014552
"217450"	319.177209333333	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+3H"	3.021828
"657738"	478.262176	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+3H"	3.021828
"1175137"	160.092242666667	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+3H"	3.021828
"437678"	972.543623	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+NH4"	18.033823
"797942"	1449.798523	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+NH4"	18.033823
"1690625"	495.288723	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+NH4"	18.033823
"339996"	486.7754495	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+H+NH4"	19.041099
"731323"	725.4028995	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+H+NH4"	19.041099
"1485144"	248.1479995	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H+NH4"	19.041099
"398358"	977.499018	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+Na"	22.989218
"759355"	1454.753918	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+Na"	22.989218
"1609641"	500.244118	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Na"	22.989218
"321864"	489.253147	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+H+Na"	23.996494
"713193"	727.880597	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+H+Na"	23.996494
"1469199"	250.625697	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H+Na"	23.996494
"1064641"	167.419556666667	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2H+Na"	25.00377
"1269604"	510.288386	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+CH3OH+H"	33.033486
"389274"	993.472958	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+K"	38.963158
"752821"	1470.727858	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+K"	38.963158
"1551226"	516.218058	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+K"	38.963158
"308401"	497.240117	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+H+K"	39.970434
"703010"	735.867567	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+H+K"	39.970434
"1455736"	258.612667	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H+K"	39.970434
"250535"	996.543626	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+ACN+H"	42.033826
"1223609"	519.288726	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+ACN+H"	42.033826
"1205307"	260.148001	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+ACN+2H"	43.041102
"200364"	999.48096	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+2Na-H"	44.97116
"639923"	1476.73586	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+2Na-H"	44.97116
"1141241"	522.22606	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2Na-H"	44.97116
"183439"	500.244118	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+2Na"	45.978436
"619719"	738.871568	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+2Na"	45.978436
"1125413"	261.616668	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2Na"	45.978436
"1410030"	174.746870666667	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H+2Na"	46.985712
"1438867"	524.267646	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H+HCOOH"	47.012746
"229656"	505.27714	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+3H2O+2H"	56.04448
"1521000"	538.31969	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+IsoProp+H"	61.06479
"420689"	508.231088	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+Na+K"	61.952376
"782417"	746.858538	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+Na+K"	61.952376
"1678020"	269.603638	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Na+K"	61.952376
"261259"	1018.525568	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+ACN+Na"	64.015768
"1235060"	541.270668	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+ACN+Na"	64.015768
"1718481"	541.294193	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+NH4+HCOOH"	64.039293
"1181649"	182.074184666667	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+3Na"	68.967654
"1652635"	546.249588	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Na+HCOOH"	68.994688
"160590"	1031.42884	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+2K-H"	76.91904
"606710"	1508.68374	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+2K-H"	76.91904
"1090130"	554.17394	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2K-H"	76.91904
"152413"	516.218058	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"2M+2K"	77.926316
"588694"	754.845508	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"3M+2K"	77.926316
"1071384"	277.590608	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2K"	77.926316
"1103135"	556.188492	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2K+H"	78.933592
"1341706"	556.276107	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+DMSO+H"	79.021207
"1011328"	560.315276	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2ACN+H"	83.060376
"1533828"	561.308908	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+IsoProp+Na+H"	84.054008
"996995"	280.661276	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+2ACN+2H"	84.067652
"1594779"	562.223528	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+K+HCOOH"	84.968628
"1420438"	592.255038	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+H+CF3COOH"	115.000138
"1161299"	301.174551	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+3ACN+2H"	125.094202
"1698092"	609.281585	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+NH4+CF3COOH"	132.026685
"1635931"	614.23698	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+Na+CF3COOH"	136.98208
"1571949"	630.21092	"C15694"	"Epothilone C"	"C26H39NO5S"	"477.2549"	"M+K+CF3COOH"	152.95602
"805236"	1325.1105	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M"	0
"976583"	1306.09211	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-H2O-H"	-19.01839
"69198"	882.399724	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M-3H"	-3.021828
"512039"	1324.103224	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M-3H"	-3.021828
"894217"	440.696224	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-3H"	-3.021828
"12791"	1324.103224	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M-2H"	-2.014552
"454783"	1986.658474	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M-2H"	-2.014552
"824688"	661.547974	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-2H"	-2.014552
"86867"	2649.213724	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M-H"	-1.007276
"527520"	3974.324224	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M-H"	-1.007276
"908240"	1324.103224	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-H"	-1.007276
"54231"	2666.240271	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M-2H+NH4"	16.019271
"494884"	3991.350771	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M-2H+NH4"	16.019271
"878403"	1341.129771	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-2H+NH4"	16.019271
"40589"	2671.195666	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M-2H+Na"	20.974666
"483432"	3996.306166	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M-2H+Na"	20.974666
"861238"	1346.085166	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-2H+Na"	20.974666
"1632598"	1346.085166	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Na-2H"	20.974666
"107310"	1342.091563	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M-H+Cl"	33.962126
"546868"	2004.646813	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M-H+Cl"	33.962126
"940743"	679.536313	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-H+Cl"	33.962126
"280029"	2685.190402	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+Cl"	34.969402
"669169"	4010.300902	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+Cl"	34.969402
"1282663"	1360.079902	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Cl"	34.969402
"21940"	2687.169606	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M-2H+K"	36.948606
"464781"	4012.280106	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M-2H+K"	36.948606
"842582"	1362.059106	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-2H+K"	36.948606
"1560964"	1362.059106	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+K-2H"	36.948606
"949582"	1370.108694	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-H+HCOOH"	44.998194
"367795"	2695.219201	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+HCOOH-H"	44.998201
"356054"	2709.234851	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+Hac-H"	59.013851
"1499421"	1384.124351	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Hac-H"	59.013851
"972086"	1392.090651	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-H+NaCOOH"	66.980151
"123909"	1360.079902	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+2Cl"	69.938804
"564318"	2022.635152	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+2Cl"	69.938804
"1034446"	697.524652	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2Cl"	69.938804
"1255855"	1404.029385	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Br"	78.918885
"1319278"	1406.085372	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Cl+HCOOH"	80.974872
"1334706"	1428.067329	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Cl+NaCOOH"	102.956829
"926614"	1438.096086	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M-H+CF3COOH"	112.985586
"1303567"	1474.072764	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Cl+CF3COOH"	148.962264
"1382539"	1290.097824	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H-2H2O"	-35.012676
"1397641"	1308.1078	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H-H2O"	-17.0027
"298346"	2651.228276	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+H"	1.007276
"683671"	3976.338776	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+H"	1.007276
"1361114"	1326.117776	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H"	1.007276
"137291"	1326.117776	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+2H"	2.014552
"578672"	1988.673026	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+2H"	2.014552
"1049657"	663.562526	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2H"	2.014552
"216465"	884.414276	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+3H"	3.021828
"658574"	1326.117776	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+3H"	3.021828
"1177430"	442.710776	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+3H"	3.021828
"439242"	2668.254823	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+NH4"	18.033823
"798050"	3993.365323	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+NH4"	18.033823
"1687455"	1343.144323	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+NH4"	18.033823
"335734"	1334.6310495	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+H+NH4"	19.041099
"726330"	1997.1862995	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+H+NH4"	19.041099
"1481609"	672.0757995	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H+NH4"	19.041099
"394091"	2673.210218	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+Na"	22.989218
"756545"	3998.320718	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+Na"	22.989218
"1604644"	1348.099718	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Na"	22.989218
"316137"	1337.108747	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+H+Na"	23.996494
"710022"	1999.663997	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+H+Na"	23.996494
"1470402"	674.553497	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H+Na"	23.996494
"1068278"	450.03809	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2H+Na"	25.00377
"1271174"	1358.143986	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+CH3OH+H"	33.033486
"390842"	2689.184158	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+K"	38.963158
"752809"	4014.294658	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+K"	38.963158
"1549151"	1364.073658	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+K"	38.963158
"312887"	1345.095717	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+H+K"	39.970434
"706405"	2007.650967	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+H+K"	39.970434
"1461074"	682.540467	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H+K"	39.970434
"250651"	2692.254826	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+ACN+H"	42.033826
"1225303"	1367.144326	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+ACN+H"	42.033826
"1208699"	684.075801	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+ACN+2H"	43.041102
"202664"	2695.19216	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+2Na-H"	44.97116
"642221"	4020.30266	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+2Na-H"	44.97116
"1143177"	1370.08166	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2Na-H"	44.97116
"184644"	1348.099718	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+2Na"	45.978436
"623111"	2010.654968	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+2Na"	45.978436
"1124432"	685.544468	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2Na"	45.978436
"1401396"	457.365404	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H+2Na"	46.985712
"1440074"	1372.123246	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H+HCOOH"	47.012746
"231956"	1353.13274	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+3H2O+2H"	56.04448
"1521843"	1386.17529	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+IsoProp+H"	61.06479
"420436"	1356.086688	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+Na+K"	61.952376
"783987"	2018.641938	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+Na+K"	61.952376
"1677403"	693.531438	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Na+K"	61.952376
"261370"	2714.236768	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+ACN+Na"	64.015768
"1237358"	1389.126268	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+ACN+Na"	64.015768
"1725152"	1389.149793	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+NH4+HCOOH"	64.039293
"1185040"	464.692718	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+3Na"	68.967654
"1664532"	1394.105188	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Na+HCOOH"	68.994688
"165075"	2727.14004	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+2K-H"	76.91904
"609009"	4052.25054	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+2K-H"	76.91904
"1090243"	1402.02954	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2K-H"	76.91904
"149247"	1364.073658	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"2M+2K"	77.926316
"590993"	2026.628908	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"3M+2K"	77.926316
"1079879"	701.518408	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2K"	77.926316
"1113939"	1404.044092	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2K+H"	78.933592
"1347284"	1404.131707	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+DMSO+H"	79.021207
"1014720"	1408.170876	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2ACN+H"	83.060376
"1538680"	1409.164508	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+IsoProp+Na+H"	84.054008
"994921"	704.589076	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+2ACN+2H"	84.067652
"1591609"	1410.079128	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+K+HCOOH"	84.968628
"1419459"	1440.110638	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+H+CF3COOH"	115.000138
"1154121"	725.102351	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+3ACN+2H"	125.094202
"1701485"	1457.137185	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+NH4+CF3COOH"	132.026685
"1636041"	1462.09258	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+Na+CF3COOH"	136.98208
"1572789"	1478.06652	"C15695"	"Complestatin;Chloropeptin II"	"C61H45Cl6N7O15"	"1325.1105"	"M+K+CF3COOH"	152.95602
"801521"	422.1334	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M"	0
"975599"	403.11501	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-H2O-H"	-19.01839
"66027"	280.414990666667	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M-3H"	-3.021828
"511055"	421.126124	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M-3H"	-3.021828
"892138"	139.703857333333	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-3H"	-3.021828
"9620"	421.126124	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M-2H"	-2.014552
"452461"	632.192824	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M-2H"	-2.014552
"820424"	210.059424	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-2H"	-2.014552
"83697"	843.259524	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M-H"	-1.007276
"521070"	1265.392924	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M-H"	-1.007276
"903247"	421.126124	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-H"	-1.007276
"47656"	860.286071	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M-2H+NH4"	16.019271
"494994"	1282.419471	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M-2H+NH4"	16.019271
"873892"	438.152671	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-2H+NH4"	16.019271
"35232"	865.241466	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M-2H+Na"	20.974666
"480262"	1287.374866	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M-2H+Na"	20.974666
"862441"	443.108066	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-2H+Na"	20.974666
"1631250"	443.108066	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Na-2H"	20.974666
"107782"	439.114463	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M-H+Cl"	33.962126
"547707"	650.181163	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M-H+Cl"	33.962126
"939397"	228.047763	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-H+Cl"	33.962126
"279411"	879.236202	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+Cl"	34.969402
"669279"	1301.369602	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+Cl"	34.969402
"1282773"	457.102802	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Cl"	34.969402
"20957"	881.215406	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M-2H+K"	36.948606
"464891"	1303.348806	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M-2H+K"	36.948606
"839412"	459.082006	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-2H+K"	36.948606
"1561803"	459.082006	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+K-2H"	36.948606
"946407"	467.131594	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-H+HCOOH"	44.998194
"365718"	889.265001	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+HCOOH-H"	44.998201
"355069"	903.280651	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+Hac-H"	59.013851
"1499531"	481.147251	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Hac-H"	59.013851
"970738"	489.113551	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-H+NaCOOH"	66.980151
"124017"	457.102802	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+2Cl"	69.938804
"563577"	668.169502	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+2Cl"	69.938804
"1034919"	246.036102	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2Cl"	69.938804
"1256330"	501.052285	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Br"	78.918885
"1319504"	503.108272	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Cl+HCOOH"	80.974872
"1335530"	525.090229	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Cl+NaCOOH"	102.956829
"926600"	535.118986	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M-H+CF3COOH"	112.985586
"1301847"	571.095664	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Cl+CF3COOH"	148.962264
"1380737"	387.120724	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H-2H2O"	-35.012676
"1398351"	405.1307	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H-H2O"	-17.0027
"298476"	845.274076	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+H"	1.007276
"683782"	1267.407476	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+H"	1.007276
"1363047"	423.140676	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H"	1.007276
"139222"	423.140676	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+2H"	2.014552
"575865"	634.207376	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+2H"	2.014552
"1049037"	212.073976	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2H"	2.014552
"217665"	282.429542666667	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+3H"	3.021828
"657591"	423.140676	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+3H"	3.021828
"1175350"	141.718409333333	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+3H"	3.021828
"437165"	862.300623	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+NH4"	18.033823
"798160"	1284.434023	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+NH4"	18.033823
"1687565"	440.167223	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+NH4"	18.033823
"335844"	431.6539495	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+H+NH4"	19.041099
"724253"	642.7206495	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+H+NH4"	19.041099
"1481354"	220.5872495	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H+NH4"	19.041099
"393229"	867.256018	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+Na"	22.989218
"756048"	1289.389418	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+Na"	22.989218
"1603782"	445.122618	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Na"	22.989218
"315519"	434.131647	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+H+Na"	23.996494
"707090"	645.198347	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+H+Na"	23.996494
"1465044"	223.064947	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H+Na"	23.996494
"1066924"	149.045723333333	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2H+Na"	25.00377
"1271283"	455.166886	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+CH3OH+H"	33.033486
"388400"	883.229958	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+K"	38.963158
"750488"	1305.363358	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+K"	38.963158
"1552541"	461.096558	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+K"	38.963158
"313727"	442.118617	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+H+K"	39.970434
"706149"	653.185317	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+H+K"	39.970434
"1458143"	231.051917	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H+K"	39.970434
"250517"	886.300626	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+ACN+H"	42.033826
"1223469"	464.167226	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+ACN+H"	42.033826
"1204073"	232.587251	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+ACN+2H"	43.041102
"200586"	889.23796	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+2Na-H"	44.97116
"641237"	1311.37136	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+2Na-H"	44.97116
"1143652"	467.10456	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2Na-H"	44.97116
"181474"	445.122618	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+2Na"	45.978436
"617753"	656.189318	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+2Na"	45.978436
"1124542"	234.055918	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2Na"	45.978436
"1402963"	156.373037333333	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H+2Na"	46.985712
"1442367"	469.146146	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H+HCOOH"	47.012746
"232065"	450.15564	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+3H2O+2H"	56.04448
"1522316"	483.19819	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+IsoProp+H"	61.06479
"420909"	453.109588	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+Na+K"	61.952376
"783737"	664.176288	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+Na+K"	61.952376
"1678606"	242.042888	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Na+K"	61.952376
"263668"	908.282568	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+ACN+Na"	64.015768
"1236375"	486.149168	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+ACN+Na"	64.015768
"1725262"	486.172693	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+NH4+HCOOH"	64.039293
"1186244"	163.700351333333	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+3Na"	68.967654
"1663791"	491.128088	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Na+HCOOH"	68.994688
"165185"	921.18584	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+2K-H"	76.91904
"609119"	1343.31924	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+2K-H"	76.91904
"1091446"	499.05244	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2K-H"	76.91904
"150449"	461.096558	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"2M+2K"	77.926316
"593290"	672.163258	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"3M+2K"	77.926316
"1077801"	250.029858	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2K"	77.926316
"1107730"	501.066992	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2K+H"	78.933592
"1341927"	501.154607	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+DMSO+H"	79.021207
"1012643"	505.193776	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2ACN+H"	83.060376
"1534050"	506.187408	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+IsoProp+Na+H"	84.054008
"996124"	253.100526	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+2ACN+2H"	84.067652
"1591717"	507.102028	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+K+HCOOH"	84.968628
"1419569"	537.133538	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+H+CF3COOH"	115.000138
"1150951"	273.613801	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+3ACN+2H"	125.094202
"1698315"	554.160085	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+NH4+CF3COOH"	132.026685
"1635056"	559.11548	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+Na+CF3COOH"	136.98208
"1572047"	575.08942	"C15696"	"Melithiazol A"	"C20H26N2O4S2"	"422.1334"	"M+K+CF3COOH"	152.95602
"801580"	1080.5855	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M"	0
"974226"	1061.56711	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-H2O-H"	-19.01839
"65044"	719.383057333333	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M-3H"	-3.021828
"508978"	1079.578224	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M-3H"	-3.021828
"888967"	359.187890666667	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-3H"	-3.021828
"6450"	1079.578224	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M-2H"	-2.014552
"450384"	1619.870974	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M-2H"	-2.014552
"817617"	539.285474	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-2H"	-2.014552
"80527"	2160.163724	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M-H"	-1.007276
"524459"	3240.749224	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M-H"	-1.007276
"902264"	1079.578224	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-H"	-1.007276
"48372"	2177.190271	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M-2H+NH4"	16.019271
"495104"	3257.775771	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M-2H+NH4"	16.019271
"870721"	1096.604771	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-2H+NH4"	16.019271
"35342"	2182.145666	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M-2H+Na"	20.974666
"480372"	3262.731166	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M-2H+Na"	20.974666
"861459"	1101.560166	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-2H+Na"	20.974666
"1631726"	1101.560166	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Na-2H"	20.974666
"107163"	1097.566563	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M-H+Cl"	33.962126
"547817"	1637.859313	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M-H+Cl"	33.962126
"939507"	557.273813	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-H+Cl"	33.962126
"277698"	2196.140402	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+Cl"	34.969402
"672668"	3276.725902	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+Cl"	34.969402
"1282883"	1115.554902	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Cl"	34.969402
"21067"	2198.119606	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M-2H+K"	36.948606
"465001"	3278.705106	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M-2H+K"	36.948606
"839522"	1117.534106	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-2H+K"	36.948606
"1560820"	1117.534106	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+K-2H"	36.948606
"946518"	1125.583694	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-H+HCOOH"	44.998194
"368015"	2206.169201	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+HCOOH-H"	44.998201
"350804"	2220.184851	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+Hac-H"	59.013851
"1504013"	1139.599351	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Hac-H"	59.013851
"969368"	1147.565651	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-H+NaCOOH"	66.980151
"120467"	1115.554902	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+2Cl"	69.938804
"564413"	1655.847652	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+2Cl"	69.938804
"1035029"	575.262152	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2Cl"	69.938804
"1256074"	1159.504385	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Br"	78.918885
"1319576"	1161.560372	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Cl+HCOOH"	80.974872
"1335048"	1183.542329	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Cl+NaCOOH"	102.956829
"926467"	1193.571086	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M-H+CF3COOH"	112.985586
"1301957"	1229.547764	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Cl+CF3COOH"	148.962264
"1380847"	1045.572824	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H-2H2O"	-35.012676
"1396521"	1063.5828	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H-H2O"	-17.0027
"296208"	2162.178276	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+H"	1.007276
"690818"	3242.763776	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+H"	1.007276
"1362428"	1081.592776	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H"	1.007276
"137505"	1081.592776	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+2H"	2.014552
"574882"	1621.885526	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+2H"	2.014552
"1046961"	541.300026	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2H"	2.014552
"217046"	721.397609333333	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+3H"	3.021828
"658430"	1081.592776	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+3H"	3.021828
"1174367"	361.202442666667	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+3H"	3.021828
"433629"	2179.204823	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+NH4"	18.033823
"797176"	3259.790323	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+NH4"	18.033823
"1686580"	1098.619323	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+NH4"	18.033823
"330725"	1090.1060495	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+H+NH4"	19.041099
"724118"	1630.3987995	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+H+NH4"	19.041099
"1477327"	549.8132995	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H+NH4"	19.041099
"392846"	2184.160218	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+Na"	22.989218
"756037"	3264.745718	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+Na"	22.989218
"1603077"	1103.574718	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Na"	22.989218
"314774"	1092.583747	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+H+Na"	23.996494
"707191"	1632.876497	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+H+Na"	23.996494
"1465154"	552.290997	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H+Na"	23.996494
"1067034"	368.529756666667	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2H+Na"	25.00377
"1270663"	1113.618986	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+CH3OH+H"	33.033486
"388510"	2200.134158	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+K"	38.963158
"748411"	3280.719658	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+K"	38.963158
"1550464"	1119.548658	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+K"	38.963158
"312014"	1100.570717	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+H+K"	39.970434
"704437"	1640.863467	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+H+K"	39.970434
"1459346"	560.277967	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H+K"	39.970434
"248680"	2203.204826	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+ACN+H"	42.033826
"1222846"	1122.619326	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+ACN+H"	42.033826
"1202360"	561.813301	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+ACN+2H"	43.041102
"200697"	2206.14216	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+2Na-H"	44.97116
"640620"	3286.72766	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+2Na-H"	44.97116
"1140478"	1125.55666	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2Na-H"	44.97116
"180488"	1103.574718	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+2Na"	45.978436
"624060"	1643.867468	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+2Na"	45.978436
"1121368"	563.281968	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2Na"	45.978436
"1402705"	375.857070666667	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H+2Na"	46.985712
"1438101"	1127.598246	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H+HCOOH"	47.012746
"224521"	1108.60774	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+3H2O+2H"	56.04448
"1520236"	1141.65029	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+IsoProp+H"	61.06479
"419926"	1111.561688	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+Na+K"	61.952376
"785549"	1651.854438	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+Na+K"	61.952376
"1679080"	571.268938	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Na+K"	61.952376
"263778"	2225.186768	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+ACN+Na"	64.015768
"1237943"	1144.601268	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+ACN+Na"	64.015768
"1725372"	1144.624793	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+NH4+HCOOH"	64.039293
"1186353"	383.184384666667	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+3Na"	68.967654
"1660619"	1149.580188	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Na+HCOOH"	68.994688
"167480"	2238.09004	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+2K-H"	76.91904
"609228"	3318.67554	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+2K-H"	76.91904
"1090461"	1157.50454	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2K-H"	76.91904
"149465"	1119.548658	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"2M+2K"	77.926316
"590118"	1659.841408	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"3M+2K"	77.926316
"1075724"	579.255908	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2K"	77.926316
"1105652"	1159.519092	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2K+H"	78.933592
"1339850"	1159.606707	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+DMSO+H"	79.021207
"1009473"	1163.645876	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2ACN+H"	83.060376
"1534160"	1164.639508	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+IsoProp+Na+H"	84.054008
"997327"	582.326576	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+2ACN+2H"	84.067652
"1590734"	1165.554128	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+K+HCOOH"	84.968628
"1420772"	1195.585638	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+H+CF3COOH"	115.000138
"1151061"	602.839851	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+3ACN+2H"	125.094202
"1698425"	1212.612185	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+NH4+CF3COOH"	132.026685
"1634801"	1217.56758	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+Na+CF3COOH"	136.98208
"1571428"	1233.54152	"C15697"	"Nostopeptolide A1"	"C53H80N10O14"	"1080.5855"	"M+K+CF3COOH"	152.95602
"801878"	1066.5699	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M"	0
"974640"	1047.55151	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-H2O-H"	-19.01839
"65154"	710.039324	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M-3H"	-3.021828
"511275"	1065.562624	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M-3H"	-3.021828
"887984"	354.516024	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-3H"	-3.021828
"6560"	1065.562624	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M-2H"	-2.014552
"447214"	1598.847574	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M-2H"	-2.014552
"817484"	532.277674	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-2H"	-2.014552
"80637"	2132.132524	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M-H"	-1.007276
"524569"	3198.702424	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M-H"	-1.007276
"901281"	1065.562624	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-H"	-1.007276
"48606"	2149.159071	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M-2H+NH4"	16.019271
"489018"	3215.728971	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M-2H+NH4"	16.019271
"870831"	1082.589171	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-2H+NH4"	16.019271
"34359"	2154.114466	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M-2H+Na"	20.974666
"475014"	3220.684366	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M-2H+Na"	20.974666
"852817"	1087.544566	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-2H+Na"	20.974666
"1631100"	1087.544566	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Na-2H"	20.974666
"107636"	1083.550963	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M-H+Cl"	33.962126
"547560"	1616.835913	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M-H+Cl"	33.962126
"938519"	550.266013	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-H+Cl"	33.962126
"278170"	2168.109202	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+Cl"	34.969402
"666215"	3234.679102	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+Cl"	34.969402
"1277524"	1101.539302	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Cl"	34.969402
"21177"	2170.088406	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M-2H+K"	36.948606
"462924"	3236.658306	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M-2H+K"	36.948606
"839632"	1103.518506	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-2H+K"	36.948606
"1556679"	1103.518506	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+K-2H"	36.948606
"945535"	1111.568094	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-H+HCOOH"	44.998194
"368125"	2178.138001	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+HCOOH-H"	44.998201
"348727"	2192.153651	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+Hac-H"	59.013851
"1504124"	1125.583751	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Hac-H"	59.013851
"966195"	1133.550051	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-H+NaCOOH"	66.980151
"120576"	1101.539302	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+2Cl"	69.938804
"564524"	1634.824252	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+2Cl"	69.938804
"1034776"	568.254352	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2Cl"	69.938804
"1256549"	1145.488785	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Br"	78.918885
"1318506"	1147.544772	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Cl+HCOOH"	80.974872
"1334674"	1169.526729	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Cl+NaCOOH"	102.956829
"926577"	1179.555486	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M-H+CF3COOH"	112.985586
"1301339"	1215.532164	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Cl+CF3COOH"	148.962264
"1382463"	1031.557224	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H-2H2O"	-35.012676
"1398057"	1049.5672	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H-H2O"	-17.0027
"298229"	2134.147076	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+H"	1.007276
"689835"	3200.716976	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+H"	1.007276
"1362538"	1067.577176	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H"	1.007276
"139803"	1067.577176	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+2H"	2.014552
"577178"	1600.862126	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+2H"	2.014552
"1049257"	534.292226	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2H"	2.014552
"217886"	712.053876	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+3H"	3.021828
"658540"	1067.577176	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+3H"	3.021828
"1174477"	356.530576	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+3H"	3.021828
"436291"	2151.173623	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+NH4"	18.033823
"798014"	3217.743523	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+NH4"	18.033823
"1691064"	1084.603723	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+NH4"	18.033823
"332781"	1076.0904495	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+H+NH4"	19.041099
"723863"	1609.3753995	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+H+NH4"	19.041099
"1477920"	542.8054995	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H+NH4"	19.041099
"393807"	2156.129018	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+Na"	22.989218
"755051"	3222.698918	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+Na"	22.989218
"1603147"	1089.559118	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Na"	22.989218
"314562"	1078.568147	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+H+Na"	23.996494
"707587"	1611.853097	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+H+Na"	23.996494
"1463074"	545.283197	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H+Na"	23.996494
"1066172"	363.85789	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2H+Na"	25.00377
"1266761"	1099.603386	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+CH3OH+H"	33.033486
"387526"	2172.102958	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+K"	38.963158
"748521"	3238.672858	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+K"	38.963158
"1548387"	1105.533058	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+K"	38.963158
"311760"	1086.555117	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+H+K"	39.970434
"704184"	1619.840067	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+H+K"	39.970434
"1459459"	553.270167	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H+K"	39.970434
"248790"	2175.173626	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+ACN+H"	42.033826
"1222957"	1108.603726	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+ACN+H"	42.033826
"1203200"	554.805501	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+ACN+2H"	43.041102
"199350"	2178.11096	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+2Na-H"	44.97116
"641095"	3244.68086	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+2Na-H"	44.97116
"1141681"	1111.54106	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2Na-H"	44.97116
"181691"	1089.559118	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+2Na"	45.978436
"624534"	1622.844068	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+2Na"	45.978436
"1121478"	556.274168	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2Na"	45.978436
"1401722"	371.185204	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H+2Na"	46.985712
"1438211"	1113.582646	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H+HCOOH"	47.012746
"224995"	1094.59214	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+3H2O+2H"	56.04448
"1519253"	1127.63469	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+IsoProp+H"	61.06479
"420402"	1097.546088	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+Na+K"	61.952376
"784686"	1630.831038	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+Na+K"	61.952376
"1679553"	564.261138	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Na+K"	61.952376
"264982"	2197.155568	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+ACN+Na"	64.015768
"1238417"	1130.585668	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+ACN+Na"	64.015768
"1725482"	1130.609193	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+NH4+HCOOH"	64.039293
"1189744"	378.512518	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+3Na"	68.967654
"1661823"	1135.564588	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Na+HCOOH"	68.994688
"171601"	2210.05884	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+2K-H"	76.91904
"609339"	3276.62874	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+2K-H"	76.91904
"1091665"	1143.48894	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2K-H"	76.91904
"149576"	1105.533058	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"2M+2K"	77.926316
"590229"	1638.818008	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"3M+2K"	77.926316
"1076928"	572.248108	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2K"	77.926316
"1111229"	1145.503492	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2K+H"	78.933592
"1342147"	1145.591107	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+DMSO+H"	79.021207
"1011770"	1149.630276	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2ACN+H"	83.060376
"1533176"	1150.623908	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+IsoProp+Na+H"	84.054008
"996344"	575.318776	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+2ACN+2H"	84.067652
"1590844"	1151.538528	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+K+HCOOH"	84.968628
"1417602"	1181.570038	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+H+CF3COOH"	115.000138
"1151171"	595.832051	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+3ACN+2H"	125.094202
"1699628"	1198.596585	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+NH4+CF3COOH"	132.026685
"1635640"	1203.55198	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+Na+CF3COOH"	136.98208
"1571578"	1219.52592	"C15698"	"Nostopeptolide A2"	"C52H78N10O14"	"1066.5699"	"M+K+CF3COOH"	152.95602
"803489"	217.1426	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M"	0
"977022"	198.12421	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-H2O-H"	-19.01839
"67451"	143.754457333333	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M-3H"	-3.021828
"513572"	216.135324	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M-3H"	-3.021828
"889188"	71.3735906666667	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-3H"	-3.021828
"1810"	216.135324	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M-2H"	-2.014552
"447325"	324.706624	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M-2H"	-2.014552
"818444"	107.564024	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-2H"	-2.014552
"84027"	433.277924	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M-H"	-1.007276
"524680"	650.420524	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M-H"	-1.007276
"900297"	216.135324	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-H"	-1.007276
"49930"	450.304471	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M-2H+NH4"	16.019271
"489857"	667.447071	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M-2H+NH4"	16.019271
"870941"	233.161871	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-2H+NH4"	16.019271
"34469"	455.259866	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M-2H+Na"	20.974666
"475124"	672.402466	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M-2H+Na"	20.974666
"855114"	238.117266	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-2H+Na"	20.974666
"1627930"	238.117266	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Na-2H"	20.974666
"106287"	234.123663	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M-H+Cl"	33.962126
"548400"	342.694963	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M-H+Cl"	33.962126
"940092"	125.552363	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-H+Cl"	33.962126
"280105"	469.254602	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+Cl"	34.969402
"671794"	686.397202	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+Cl"	34.969402
"1286020"	252.112002	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Cl"	34.969402
"24567"	471.233806	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M-2H+K"	36.948606
"463034"	688.376406	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M-2H+K"	36.948606
"839742"	254.091206	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-2H+K"	36.948606
"1558855"	254.091206	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+K-2H"	36.948606
"947831"	262.140794	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-H+HCOOH"	44.998194
"368235"	479.283401	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+HCOOH-H"	44.998201
"348837"	493.299051	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+Hac-H"	59.013851
"1505326"	276.156451	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Hac-H"	59.013851
"969585"	284.122751	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-H+NaCOOH"	66.980151
"119591"	252.112002	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+2Cl"	69.938804
"562442"	360.683302	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+2Cl"	69.938804
"1035861"	143.540702	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2Cl"	69.938804
"1256976"	296.061485	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Br"	78.918885
"1318738"	298.117472	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Cl+HCOOH"	80.974872
"1335308"	320.099429	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Cl+NaCOOH"	102.956829
"927064"	330.128186	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M-H+CF3COOH"	112.985586
"1304044"	366.104864	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Cl+CF3COOH"	148.962264
"1382491"	182.129924	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H-2H2O"	-35.012676
"1398256"	200.1399	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H-H2O"	-17.0027
"298421"	435.292476	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+H"	1.007276
"691123"	652.435076	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+H"	1.007276
"1365197"	218.149876	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H"	1.007276
"139545"	218.149876	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+2H"	2.014552
"578740"	326.721176	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+2H"	2.014552
"1050457"	109.578576	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2H"	2.014552
"217270"	145.769009333333	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+3H"	3.021828
"659776"	218.149876	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+3H"	3.021828
"1178281"	73.3881426666667	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+3H"	3.021828
"439771"	452.319023	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+NH4"	18.033823
"794844"	669.461623	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+NH4"	18.033823
"1691904"	235.176423	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+NH4"	18.033823
"332891"	226.6631495	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+H+NH4"	19.041099
"723730"	335.2344495	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+H+NH4"	19.041099
"1477425"	118.0918495	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H+NH4"	19.041099
"393920"	457.274418	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+Na"	22.989218
"754797"	674.417018	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+Na"	22.989218
"1603378"	240.131818	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Na"	22.989218
"314875"	229.140847	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+H+Na"	23.996494
"707777"	337.712147	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+H+Na"	23.996494
"1462699"	120.569547	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H+Na"	23.996494
"1064095"	80.7154566666667	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2H+Na"	25.00377
"1270151"	250.176086	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+CH3OH+H"	33.033486
"388730"	473.248358	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+K"	38.963158
"751911"	690.390958	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+K"	38.963158
"1551778"	256.105758	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+K"	38.963158
"307861"	237.127817	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+H+K"	39.970434
"705995"	345.699117	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+H+K"	39.970434
"1459568"	128.556517	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H+K"	39.970434
"249628"	476.319026	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+ACN+H"	42.033826
"1224282"	259.176426	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+ACN+H"	42.033826
"1207318"	130.091851	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+ACN+2H"	43.041102
"202859"	479.25636	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+2Na-H"	44.97116
"641200"	696.39896	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+2Na-H"	44.97116
"1145070"	262.11376	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2Na-H"	44.97116
"180707"	240.131818	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+2Na"	45.978436
"615163"	348.703118	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+2Na"	45.978436
"1118305"	131.560518	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2Na"	45.978436
"1401829"	88.0427706666667	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H+2Na"	46.985712
"1431757"	264.155346	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H+HCOOH"	47.012746
"228021"	245.16484	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+3H2O+2H"	56.04448
"1520823"	278.20739	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+IsoProp+H"	61.06479
"421605"	248.118788	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+Na+K"	61.952376
"785159"	356.690088	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+Na+K"	61.952376
"1680392"	139.547488	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Na+K"	61.952376
"265092"	498.300968	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+ACN+Na"	64.015768
"1238891"	281.158368	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+ACN+Na"	64.015768
"1725592"	281.181893	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+NH4+HCOOH"	64.039293
"1189854"	95.3700846666667	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+3Na"	68.967654
"1661933"	286.137288	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Na+HCOOH"	68.994688
"171953"	511.20424	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+2K-H"	76.91904
"612001"	728.34684	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+2K-H"	76.91904
"1093963"	294.06164	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2K-H"	76.91904
"150779"	256.105758	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"2M+2K"	77.926316
"591433"	364.677058	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"3M+2K"	77.926316
"1073758"	147.534458	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2K"	77.926316
"1105874"	296.076192	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2K+H"	78.933592
"1346632"	296.163807	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+DMSO+H"	79.021207
"1014068"	300.202976	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2ACN+H"	83.060376
"1531100"	301.196608	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+IsoProp+Na+H"	84.054008
"995361"	150.605126	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+2ACN+2H"	84.067652
"1588769"	302.111228	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+K+HCOOH"	84.968628
"1419899"	332.142738	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+H+CF3COOH"	115.000138
"1153468"	171.118401	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+3ACN+2H"	125.094202
"1700831"	349.169285	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+NH4+CF3COOH"	132.026685
"1635388"	354.12468	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+Na+CF3COOH"	136.98208
"1571528"	370.09862	"C15699"	"gamma-L-Glutamylputrescine"	"C9H19N3O3"	"217.1426"	"M+K+CF3COOH"	152.95602
"801668"	216.111	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M"	0
"977130"	197.09261	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-H2O-H"	-19.01839
"67561"	143.066724	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M-3H"	-3.021828
"507120"	215.103724	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M-3H"	-3.021828
"886018"	71.029724	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-3H"	-3.021828
"4594"	215.103724	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M-2H"	-2.014552
"447435"	323.159224	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M-2H"	-2.014552
"817337"	107.048224	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-2H"	-2.014552
"84137"	431.214724	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M-H"	-1.007276
"524790"	647.325724	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M-H"	-1.007276
"899313"	215.103724	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-H"	-1.007276
"51496"	448.241271	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M-2H+NH4"	16.019271
"489238"	664.352271	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M-2H+NH4"	16.019271
"867771"	232.130271	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-2H+NH4"	16.019271
"34579"	453.196666	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M-2H+Na"	20.974666
"475234"	669.307666	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M-2H+Na"	20.974666
"855224"	237.085666	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-2H+Na"	20.974666
"1626947"	237.085666	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Na-2H"	20.974666
"108582"	233.092063	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M-H+Cl"	33.962126
"548754"	341.147563	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M-H+Cl"	33.962126
"942026"	125.036563	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-H+Cl"	33.962126
"281998"	467.191402	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+Cl"	34.969402
"671904"	683.302402	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+Cl"	34.969402
"1285765"	251.080402	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Cl"	34.969402
"24677"	469.170606	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M-2H+K"	36.948606
"459864"	685.281606	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M-2H+K"	36.948606
"839852"	253.059606	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-2H+K"	36.948606
"1558965"	253.059606	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+K-2H"	36.948606
"946848"	261.109194	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-H+HCOOH"	44.998194
"369438"	477.220201	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+HCOOH-H"	44.998201
"351133"	491.235851	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+Hac-H"	59.013851
"1505436"	275.124851	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Hac-H"	59.013851
"969695"	283.091151	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-H+NaCOOH"	66.980151
"121524"	251.080402	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+2Cl"	69.938804
"559994"	359.135902	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+2Cl"	69.938804
"1036211"	143.024902	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2Cl"	69.938804
"1253115"	295.029885	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Br"	78.918885
"1316656"	297.085872	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Cl+HCOOH"	80.974872
"1329778"	319.067829	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Cl+NaCOOH"	102.956829
"925941"	329.096586	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M-H+CF3COOH"	112.985586
"1298637"	365.073264	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Cl+CF3COOH"	148.962264
"1376798"	181.098324	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H-2H2O"	-35.012676
"1395390"	199.1083	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H-H2O"	-17.0027
"298487"	433.229276	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+H"	1.007276
"688958"	649.340276	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+H"	1.007276
"1362026"	217.118276	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H"	1.007276
"129085"	217.118276	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+2H"	2.014552
"571925"	325.173776	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+2H"	2.014552
"1044007"	109.062776	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2H"	2.014552
"214824"	145.081276	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+3H"	3.021828
"658760"	217.118276	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+3H"	3.021828
"1178333"	73.044276	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+3H"	3.021828
"438942"	450.255823	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+NH4"	18.033823
"794954"	666.366823	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+NH4"	18.033823
"1689098"	234.144823	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+NH4"	18.033823
"329984"	225.6315495	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+H+NH4"	19.041099
"725422"	333.6870495	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+H+NH4"	19.041099
"1477780"	117.5760495	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H+NH4"	19.041099
"393546"	455.211218	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+Na"	22.989218
"754240"	671.322218	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+Na"	22.989218
"1602867"	239.100218	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Na"	22.989218
"315351"	228.109247	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+H+Na"	23.996494
"707528"	336.164747	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+H+Na"	23.996494
"1461630"	120.053747	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H+Na"	23.996494
"1066392"	80.37159	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2H+Na"	25.00377
"1270261"	249.144486	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+CH3OH+H"	33.033486
"386653"	471.185158	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+K"	38.963158
"750928"	687.296158	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+K"	38.963158
"1549701"	255.074158	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+K"	38.963158
"307971"	236.096217	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+H+K"	39.970434
"698206"	344.151717	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+H+K"	39.970434
"1458585"	128.040717	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H+K"	39.970434
"247916"	474.255826	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+ACN+H"	42.033826
"1223542"	258.144826	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+ACN+H"	42.033826
"1207061"	129.576051	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+ACN+2H"	43.041102
"198835"	477.19316	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+2Na-H"	44.97116
"638394"	693.30416	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+2Na-H"	44.97116
"1141900"	261.08216	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2Na-H"	44.97116
"179724"	239.100218	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+2Na"	45.978436
"615273"	347.155718	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+2Na"	45.978436
"1116589"	131.044718	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2Na"	45.978436
"1401939"	87.698904	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H+2Na"	46.985712
"1430039"	263.123746	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H+HCOOH"	47.012746
"229954"	244.13324	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+3H2O+2H"	56.04448
"1521296"	277.17579	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+IsoProp+H"	61.06479
"420985"	247.087188	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+Na+K"	61.952376
"785472"	355.142688	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+Na+K"	61.952376
"1680139"	139.031688	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Na+K"	61.952376
"266418"	496.237768	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+ACN+Na"	64.015768
"1239001"	280.126768	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+ACN+Na"	64.015768
"1724609"	280.150293	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+NH4+HCOOH"	64.039293
"1192879"	95.026218	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+3Na"	68.967654
"1664960"	285.105688	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Na+HCOOH"	68.994688
"171942"	509.14104	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+2K-H"	76.91904
"608466"	725.25204	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+2K-H"	76.91904
"1091885"	293.03004	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2K-H"	76.91904
"154169"	255.074158	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"2M+2K"	77.926316
"592637"	363.129658	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"3M+2K"	77.926316
"1076055"	147.018658	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2K"	77.926316
"1105984"	295.044592	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2K+H"	78.933592
"1345649"	295.132207	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+DMSO+H"	79.021207
"1011991"	299.171376	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2ACN+H"	83.060376
"1531211"	300.165008	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+IsoProp+Na+H"	84.054008
"996565"	150.089326	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+2ACN+2H"	84.067652
"1589974"	301.079628	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+K+HCOOH"	84.968628
"1420009"	331.111138	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+H+CF3COOH"	115.000138
"1153578"	170.602601	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+3ACN+2H"	125.094202
"1700941"	348.137685	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+NH4+CF3COOH"	132.026685
"1634890"	353.09308	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+Na+CF3COOH"	136.98208
"1571434"	369.06702	"C15700"	"gamma-Glutamyl-gamma-aminobutyraldehyde"	"C9H16N2O4"	"216.111"	"M+K+CF3COOH"	152.95602
"808083"	493.29	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M"	0
"977241"	474.27161	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-H2O-H"	-19.01839
"66577"	327.852724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M-3H"	-3.021828
"509418"	492.282724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M-3H"	-3.021828
"891595"	163.422724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-3H"	-3.021828
"6891"	492.282724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M-2H"	-2.014552
"450825"	738.927724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M-2H"	-2.014552
"819152"	245.637724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-2H"	-2.014552
"87527"	985.572724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M-H"	-1.007276
"527087"	1478.862724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M-H"	-1.007276
"897237"	492.282724	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-H"	-1.007276
"50878"	1002.599271	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M-2H+NH4"	16.019271
"492264"	1495.889271	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M-2H+NH4"	16.019271
"867881"	509.309271	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-2H+NH4"	16.019271
"32501"	1007.554666	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M-2H+Na"	20.974666
"478623"	1500.844666	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M-2H+Na"	20.974666
"853146"	514.264666	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-2H+Na"	20.974666
"1628151"	514.264666	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Na-2H"	20.974666
"109058"	510.271063	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M-H+Cl"	33.962126
"549842"	756.916063	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M-H+Cl"	33.962126
"942547"	263.626063	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-H+Cl"	33.962126
"282394"	1021.549402	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+Cl"	34.969402
"673838"	1514.839402	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+Cl"	34.969402
"1285875"	528.259402	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Cl"	34.969402
"21507"	1023.528606	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M-2H+K"	36.948606
"462160"	1516.818606	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M-2H+K"	36.948606
"839962"	530.238606	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-2H+K"	36.948606
"1557981"	530.238606	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+K-2H"	36.948606
"948051"	538.288194	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-H+HCOOH"	44.998194
"369548"	1031.578201	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+HCOOH-H"	44.998201
"350151"	1045.593851	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+Hac-H"	59.013851
"1503359"	552.303851	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Hac-H"	59.013851
"967619"	560.270151	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-H+NaCOOH"	66.980151
"118718"	528.259402	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+2Cl"	69.938804
"560468"	774.904402	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+2Cl"	69.938804
"1031454"	281.614402	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2Cl"	69.938804
"1252861"	572.208885	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Br"	78.918885
"1315309"	574.264872	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Cl+HCOOH"	80.974872
"1333170"	596.246829	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Cl+NaCOOH"	102.956829
"925685"	606.275586	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M-H+CF3COOH"	112.985586
"1297654"	642.252264	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Cl+CF3COOH"	148.962264
"1375815"	458.277324	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H-2H2O"	-35.012676
"1394043"	476.2873	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H-H2O"	-17.0027
"297948"	987.587276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+H"	1.007276
"689797"	1480.877276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+H"	1.007276
"1362136"	494.297276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H"	1.007276
"131018"	494.297276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+2H"	2.014552
"572035"	740.942276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+2H"	2.014552
"1043024"	247.652276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2H"	2.014552
"212019"	329.867276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+3H"	3.021828
"652674"	494.297276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+3H"	3.021828
"1174079"	165.437276	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+3H"	3.021828
"435893"	1004.613823	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+NH4"	18.033823
"789597"	1497.903823	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+NH4"	18.033823
"1685928"	511.323823	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+NH4"	18.033823
"330026"	502.8105495	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+H+NH4"	19.041099
"723220"	749.4555495	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+H+NH4"	19.041099
"1477441"	256.1655495	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H+NH4"	19.041099
"393411"	1009.569218	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+Na"	22.989218
"754244"	1502.859218	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+Na"	22.989218
"1603235"	516.279218	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Na"	22.989218
"314853"	505.288247	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+H+Na"	23.996494
"707105"	751.933247	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+H+Na"	23.996494
"1462430"	258.643247	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H+Na"	23.996494
"1062128"	172.76459	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2H+Na"	25.00377
"1269277"	526.323486	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+CH3OH+H"	33.033486
"386763"	1025.543158	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+K"	38.963158
"750676"	1518.833158	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+K"	38.963158
"1550905"	532.253158	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+K"	38.963158
"310268"	513.275217	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+H+K"	39.970434
"700502"	759.920217	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+H+K"	39.970434
"1458331"	266.630217	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H+K"	39.970434
"249484"	1028.613826	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+ACN+H"	42.033826
"1222192"	535.323826	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+ACN+H"	42.033826
"1205713"	268.165551	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+ACN+2H"	43.041102
"197852"	1031.55116	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+2Na-H"	44.97116
"638504"	1524.84116	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+2Na-H"	44.97116
"1142010"	538.26116	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2Na-H"	44.97116
"179833"	516.279218	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+2Na"	45.978436
"615019"	762.924218	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+2Na"	45.978436
"1115923"	269.634218	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2Na"	45.978436
"1398479"	180.091904	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H+2Na"	46.985712
"1429944"	540.302746	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H+HCOOH"	47.012746
"228241"	521.31224	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+3H2O+2H"	56.04448
"1521770"	554.35479	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+IsoProp+H"	61.06479
"421095"	524.266188	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+Na+K"	61.952376
"783923"	770.911188	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+Na+K"	61.952376
"1679641"	277.621188	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Na+K"	61.952376
"265311"	1050.595768	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+ACN+Na"	64.015768
"1238747"	557.305768	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+ACN+Na"	64.015768
"1723626"	557.329293	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+NH4+HCOOH"	64.039293
"1192260"	187.419218	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+3Na"	68.967654
"1665071"	562.284688	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Na+HCOOH"	68.994688
"170108"	1063.49904	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+2K-H"	76.91904
"610763"	1556.78904	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+2K-H"	76.91904
"1094182"	570.20904	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2K-H"	76.91904
"154279"	532.253158	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"2M+2K"	77.926316
"593841"	778.898158	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"3M+2K"	77.926316
"1075073"	285.608158	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2K"	77.926316
"1106094"	572.223592	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2K+H"	78.933592
"1345759"	572.311207	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+DMSO+H"	79.021207
"1012101"	576.350376	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2ACN+H"	83.060376
"1533508"	577.344008	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+IsoProp+Na+H"	84.054008
"996675"	288.678826	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+2ACN+2H"	84.067652
"1588991"	578.258628	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+K+HCOOH"	84.968628
"1420119"	608.290138	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+H+CF3COOH"	115.000138
"1152595"	309.192101	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+3ACN+2H"	125.094202
"1699958"	625.316685	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+NH4+CF3COOH"	132.026685
"1635606"	630.27208	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+Na+CF3COOH"	136.98208
"1571748"	646.24602	"C15701"	"Syringolin A"	"C24H39N5O6"	"493.29"	"M+K+CF3COOH"	152.95602
"802726"	843.4452	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M"	0
"976257"	824.42681	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-H2O-H"	-19.01839
"66687"	561.289524	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M-3H"	-3.021828
"510622"	842.437924	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M-3H"	-3.021828
"892799"	280.141124	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-3H"	-3.021828
"10281"	842.437924	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M-2H"	-2.014552
"449843"	1264.160524	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M-2H"	-2.014552
"817805"	420.715324	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-2H"	-2.014552
"86545"	1685.883124	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M-H"	-1.007276
"525010"	2529.328324	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M-H"	-1.007276
"899532"	842.437924	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-H"	-1.007276
"49533"	1702.909671	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M-2H+NH4"	16.019271
"495654"	2546.354871	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M-2H+NH4"	16.019271
"866898"	859.464471	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-2H+NH4"	16.019271
"31606"	1707.865066	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M-2H+Na"	20.974666
"478733"	2551.310266	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M-2H+Na"	20.974666
"856536"	864.419866	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-2H+Na"	20.974666
"1628261"	864.419866	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Na-2H"	20.974666
"108438"	860.426263	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M-H+Cl"	33.962126
"549337"	1282.148863	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M-H+Cl"	33.962126
"942245"	438.703663	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-H+Cl"	33.962126
"282766"	1721.859802	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+Cl"	34.969402
"672492"	2565.305002	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+Cl"	34.969402
"1284528"	878.414602	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Cl"	34.969402
"21617"	1723.839006	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M-2H+K"	36.948606
"462270"	2567.284206	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M-2H+K"	36.948606
"836792"	880.393806	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-2H+K"	36.948606
"1558091"	880.393806	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+K-2H"	36.948606
"947068"	888.443394	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-H+HCOOH"	44.998194
"367471"	1731.888601	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+HCOOH-H"	44.998201
"348074"	1745.904251	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+Hac-H"	59.013851
"1499096"	902.459051	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Hac-H"	59.013851
"967730"	910.425351	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-H+NaCOOH"	66.980151
"118828"	878.414602	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+2Cl"	69.938804
"562765"	1300.137202	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+2Cl"	69.938804
"1031198"	456.692002	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2Cl"	69.938804
"1252608"	922.364085	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Br"	78.918885
"1315419"	924.420072	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Cl+HCOOH"	80.974872
"1332915"	946.402029	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Cl+NaCOOH"	102.956829
"921055"	956.430786	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M-H+CF3COOH"	112.985586
"1297764"	992.407464	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Cl+CF3COOH"	148.962264
"1373738"	808.432524	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H-2H2O"	-35.012676
"1393422"	826.4425	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H-H2O"	-17.0027
"298095"	1687.897676	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+H"	1.007276
"689907"	2531.342876	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+H"	1.007276
"1359330"	844.452476	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H"	1.007276
"134408"	844.452476	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+2H"	2.014552
"572145"	1266.175076	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+2H"	2.014552
"1042037"	422.729876	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2H"	2.014552
"213223"	563.304076	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+3H"	3.021828
"651688"	844.452476	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+3H"	3.021828
"1172001"	282.155676	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+3H"	3.021828
"436732"	1704.924223	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+NH4"	18.033823
"789707"	2548.369423	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+NH4"	18.033823
"1682758"	861.479023	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+NH4"	18.033823
"330218"	852.9657495	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+H+NH4"	19.041099
"723938"	1274.6883495	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+H+NH4"	19.041099
"1477877"	431.2431495	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H+NH4"	19.041099
"393890"	1709.879618	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+Na"	22.989218
"754763"	2553.324818	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+Na"	22.989218
"1603588"	866.434418	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Na"	22.989218
"317272"	855.443447	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+H+Na"	23.996494
"708602"	1277.166047	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+H+Na"	23.996494
"1465699"	433.720847	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H+Na"	23.996494
"1061145"	289.48299	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2H+Na"	25.00377
"1270359"	876.478686	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+CH3OH+H"	33.033486
"385780"	1725.853558	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+K"	38.963158
"751149"	2569.298758	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+K"	38.963158
"1551015"	882.408358	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+K"	38.963158
"310378"	863.430417	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+H+K"	39.970434
"699519"	1285.153017	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+H+K"	39.970434
"1458441"	441.707817	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H+K"	39.970434
"248135"	1728.924226	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+ACN+H"	42.033826
"1221210"	885.479026	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+ACN+H"	42.033826
"1203997"	443.243151	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+ACN+2H"	43.041102
"196869"	1731.86156	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+2Na-H"	44.97116
"637521"	2575.30676	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+2Na-H"	44.97116
"1141027"	888.41636	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2Na-H"	44.97116
"176663"	866.434418	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+2Na"	45.978436
"615129"	1288.157018	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+2Na"	45.978436
"1115830"	444.711818	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2Na"	45.978436
"1398504"	296.810304	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H+2Na"	46.985712
"1430621"	890.457946	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H+HCOOH"	47.012746
"228351"	871.46744	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+3H2O+2H"	56.04448
"1520422"	904.50999	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+IsoProp+H"	61.06479
"421570"	874.421388	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+Na+K"	61.952376
"784396"	1296.143988	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+Na+K"	61.952376
"1679993"	452.698788	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Na+K"	61.952376
"266273"	1750.906168	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+ACN+Na"	64.015768
"1235942"	907.460968	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+ACN+Na"	64.015768
"1723735"	907.484493	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+NH4+HCOOH"	64.039293
"1190184"	304.137618	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+3Na"	68.967654
"1663724"	912.439888	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Na+HCOOH"	68.994688
"170219"	1763.80944	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+2K-H"	76.91904
"610873"	2607.25464	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+2K-H"	76.91904
"1097571"	920.36424	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2K-H"	76.91904
"151107"	882.408358	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"2M+2K"	77.926316
"591760"	1304.130958	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"3M+2K"	77.926316
"1075183"	460.685758	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2K"	77.926316
"1106204"	922.378792	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2K+H"	78.933592
"1344775"	922.466407	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+DMSO+H"	79.021207
"1014396"	926.505576	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2ACN+H"	83.060376
"1527055"	927.499208	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+IsoProp+Na+H"	84.054008
"991317"	463.756426	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+2ACN+2H"	84.067652
"1590194"	928.413828	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+K+HCOOH"	84.968628
"1416948"	958.445338	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+H+CF3COOH"	115.000138
"1151611"	484.269701	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+3ACN+2H"	125.094202
"1697882"	975.471885	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+NH4+CF3COOH"	132.026685
"1634300"	980.42728	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+Na+CF3COOH"	136.98208
"1571737"	996.40122	"C15702"	"Tubulysin A"	"C43H65N5O10S"	"843.4452"	"M+K+CF3COOH"	152.95602
"809397"	829.4296	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M"	0
"975276"	810.41121	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-H2O-H"	-19.01839
"66798"	551.945790666667	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M-3H"	-3.021828
"512921"	828.422324	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M-3H"	-3.021828
"890723"	275.469257333333	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-3H"	-3.021828
"9298"	828.422324	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M-2H"	-2.014552
"444485"	1243.137124	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M-2H"	-2.014552
"819010"	413.707524	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-2H"	-2.014552
"86655"	1657.851924	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M-H"	-1.007276
"521841"	2487.281524	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M-H"	-1.007276
"896722"	828.422324	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-H"	-1.007276
"51830"	1674.878471	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M-2H+NH4"	16.019271
"490296"	2504.308071	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M-2H+NH4"	16.019271
"867008"	845.448871	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-2H+NH4"	16.019271
"32356"	1679.833866	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M-2H+Na"	20.974666
"481031"	2509.263466	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M-2H+Na"	20.974666
"856649"	850.404266	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-2H+Na"	20.974666
"1632018"	850.404266	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Na-2H"	20.974666
"109405"	846.410663	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M-H+Cl"	33.962126
"549700"	1261.125463	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M-H+Cl"	33.962126
"942239"	431.695863	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-H+Cl"	33.962126
"282743"	1693.828602	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+Cl"	34.969402
"674184"	2523.258202	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+Cl"	34.969402
"1286463"	864.399002	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Cl"	34.969402
"26100"	1695.807806	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M-2H+K"	36.948606
"466027"	2525.237406	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M-2H+K"	36.948606
"841276"	866.378206	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-2H+K"	36.948606
"1558203"	866.378206	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+K-2H"	36.948606
"949365"	874.427794	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-H+HCOOH"	44.998194
"370863"	1703.857401	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+HCOOH-H"	44.998201
"356932"	1717.873051	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+Hac-H"	59.013851
"1504674"	888.443451	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Hac-H"	59.013851
"971120"	896.409751	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-H+NaCOOH"	66.980151
"122587"	864.399002	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+2Cl"	69.938804
"562512"	1279.113802	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+2Cl"	69.938804
"1032038"	449.684202	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2Cl"	69.938804
"1250163"	908.348485	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Br"	78.918885
"1316621"	910.404472	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Cl+HCOOH"	80.974872
"1332294"	932.386429	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Cl+NaCOOH"	102.956829
"924081"	942.415186	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M-H+CF3COOH"	112.985586
"1302980"	978.391864	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Cl+CF3COOH"	148.962264
"1381504"	794.416924	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H-2H2O"	-35.012676
"1391345"	812.4269	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H-H2O"	-17.0027
"295040"	1659.866476	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+H"	1.007276
"686737"	2489.296076	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+H"	1.007276
"1361993"	830.436876	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H"	1.007276
"134882"	830.436876	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+2H"	2.014552
"574443"	1245.151676	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+2H"	2.014552
"1044335"	415.722076	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2H"	2.014552
"215517"	553.960342666667	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+3H"	3.021828
"656170"	830.436876	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+3H"	3.021828
"1172111"	277.483809333333	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+3H"	3.021828
"437206"	1676.893023	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+NH4"	18.033823
"789817"	2506.322623	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+NH4"	18.033823
"1682868"	847.463423	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+NH4"	18.033823
"332239"	838.9501495	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+H+NH4"	19.041099
"729034"	1253.6649495	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+H+NH4"	19.041099
"1479574"	424.2353495	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H+NH4"	19.041099
"394972"	1681.848418	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+Na"	22.989218
"755238"	2511.278018	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+Na"	22.989218
"1603700"	852.418818	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Na"	22.989218
"316289"	841.427847	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+H+Na"	23.996494
"710900"	1256.142647	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+H+Na"	23.996494
"1463623"	426.713047	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H+Na"	23.996494
"1064535"	284.811123333333	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2H+Na"	25.00377
"1271200"	862.463086	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+CH3OH+H"	33.033486
"386984"	1697.822358	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+K"	38.963158
"753327"	2527.251958	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+K"	38.963158
"1554528"	868.392758	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+K"	38.963158
"310489"	849.414817	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+H+K"	39.970434
"705708"	1264.129617	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+H+K"	39.970434
"1458915"	434.700017	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H+K"	39.970434
"249704"	1700.893026	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+ACN+H"	42.033826
"1220957"	871.463426	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+ACN+H"	42.033826
"1204107"	436.235351	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+ACN+2H"	43.041102
"196978"	1703.83036	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+2Na-H"	44.97116
"634350"	2533.25996	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+2Na-H"	44.97116
"1142230"	874.40076	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2Na-H"	44.97116
"181146"	852.418818	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+2Na"	45.978436
"615240"	1267.133618	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+2Na"	45.978436
"1122025"	437.704018	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2Na"	45.978436
"1405550"	292.138437333333	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H+2Na"	46.985712
"1437664"	876.442346	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H+HCOOH"	47.012746
"228461"	857.45184	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+3H2O+2H"	56.04448
"1519803"	890.49439	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+IsoProp+H"	61.06479
"421679"	860.405788	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+Na+K"	61.952376
"784263"	1275.120588	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+Na+K"	61.952376
"1677918"	445.690988	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Na+K"	61.952376
"264078"	1722.874968	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+ACN+Na"	64.015768
"1239824"	893.445368	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+ACN+Na"	64.015768
"1726762"	893.468893	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+NH4+HCOOH"	64.039293
"1191755"	299.465751333333	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+3Na"	68.967654
"1661286"	898.424288	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Na+HCOOH"	68.994688
"170331"	1735.77824	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+2K-H"	76.91904
"608795"	2565.20784	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+2K-H"	76.91904
"1093306"	906.34864	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2K-H"	76.91904
"150124"	868.392758	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"2M+2K"	77.926316
"594057"	1283.107558	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"3M+2K"	77.926316
"1073106"	453.677958	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2K"	77.926316
"1105223"	908.363192	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2K+H"	78.933592
"1340514"	908.450807	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+DMSO+H"	79.021207
"1011227"	912.489976	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2ACN+H"	83.060376
"1531541"	913.483608	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+IsoProp+Na+H"	84.054008
"992518"	456.748626	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+2ACN+2H"	84.067652
"1589211"	914.398228	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+K+HCOOH"	84.968628
"1418151"	944.429738	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+H+CF3COOH"	115.000138
"1156095"	477.261901	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+3ACN+2H"	125.094202
"1703460"	961.456285	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+NH4+CF3COOH"	132.026685
"1634856"	966.41168	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+Na+CF3COOH"	136.98208
"1574765"	982.38562	"C15703"	"Tubulysin B"	"C42H63N5O10S"	"829.4296"	"M+K+CF3COOH"	152.95602
"805133"	827.4503	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M"	0
"977571"	808.43191	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-H2O-H"	-19.01839
"64721"	550.626257333333	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M-3H"	-3.021828
"510842"	826.443024	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M-3H"	-3.021828
"889739"	274.809490666667	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-3H"	-3.021828
"12688"	826.443024	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M-2H"	-2.014552
"451155"	1240.168174	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M-2H"	-2.014552
"822399"	412.717874	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-2H"	-2.014552
"91503"	1653.893324	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M-H"	-1.007276
"525231"	2481.343624	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M-H"	-1.007276
"896958"	826.443024	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-H"	-1.007276
"55220"	1670.919871	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M-2H+NH4"	16.019271
"492593"	2498.370171	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M-2H+NH4"	16.019271
"867239"	843.469571	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-2H+NH4"	16.019271
"32343"	1675.875266	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M-2H+Na"	20.974666
"481141"	2503.325566	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M-2H+Na"	20.974666
"861864"	848.424966	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-2H+Na"	20.974666
"1633230"	848.424966	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Na-2H"	20.974666
"108906"	844.431363	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M-H+Cl"	33.962126
"549483"	1258.156513	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M-H+Cl"	33.962126
"942107"	430.706213	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-H+Cl"	33.962126
"282453"	1689.870002	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+Cl"	34.969402
"672712"	2517.320302	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+Cl"	34.969402
"1283655"	862.419702	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Cl"	34.969402
"28036"	1691.849206	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M-2H+K"	36.948606
"465772"	2519.299506	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M-2H+K"	36.948606
"842479"	864.398906	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-2H+K"	36.948606
"1563781"	864.398906	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+K-2H"	36.948606
"950570"	872.448494	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-H+HCOOH"	44.998194
"368787"	1699.898801	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+HCOOH-H"	44.998201
"354856"	1713.914451	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+Hac-H"	59.013851
"1500410"	886.464151	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Hac-H"	59.013851
"970502"	894.430451	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-H+NaCOOH"	66.980151
"120510"	862.419702	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+2Cl"	69.938804
"563350"	1276.144852	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+2Cl"	69.938804
"1030690"	448.694552	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2Cl"	69.938804
"1253553"	906.369185	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Br"	78.918885
"1317096"	908.425172	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Cl+HCOOH"	80.974872
"1333864"	930.407129	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Cl+NaCOOH"	102.956829
"924191"	940.435886	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M-H+CF3COOH"	112.985586
"1304165"	976.412564	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Cl+CF3COOH"	148.962264
"1382221"	792.437624	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H-2H2O"	-35.012676
"1396923"	810.4476	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H-H2O"	-17.0027
"296243"	1655.907876	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+H"	1.007276
"689764"	2483.358176	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+H"	1.007276
"1362830"	828.457576	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H"	1.007276
"131712"	828.457576	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+2H"	2.014552
"575647"	1242.182726	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+2H"	2.014552
"1042257"	414.732426	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2H"	2.014552
"215625"	552.640809333333	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+3H"	3.021828
"655915"	828.457576	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+3H"	3.021828
"1166752"	276.824042666667	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+3H"	3.021828
"424675"	1672.934423	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+NH4"	18.033823
"786640"	2500.384723	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+NH4"	18.033823
"1681999"	845.484123	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+NH4"	18.033823
"331375"	836.9708495	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+H+NH4"	19.041099
"724037"	1250.6959995	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+H+NH4"	19.041099
"1479316"	423.2456995	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H+NH4"	19.041099
"394350"	1677.889818	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+Na"	22.989218
"757170"	2505.340118	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+Na"	22.989218
"1606362"	850.439518	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Na"	22.989218
"316399"	839.448547	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+H+Na"	23.996494
"712103"	1253.173697	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+H+Na"	23.996494
"1463733"	425.723397	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H+Na"	23.996494
"1068479"	284.151356666667	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2H+Na"	25.00377
"1272283"	860.483786	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+CH3OH+H"	33.033486
"383806"	1693.863758	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+K"	38.963158
"754004"	2521.314058	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+K"	38.963158
"1554516"	866.413458	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+K"	38.963158
"311692"	847.435517	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+H+K"	39.970434
"704844"	1261.160667	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+H+K"	39.970434
"1458661"	433.710367	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H+K"	39.970434
"249085"	1696.934426	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+ACN+H"	42.033826
"1221430"	869.484126	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+ACN+H"	42.033826
"1202030"	435.245701	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+ACN+2H"	43.041102
"199275"	1699.87176	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+2Na-H"	44.97116
"637741"	2527.32206	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+2Na-H"	44.97116
"1141247"	872.42146	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2Na-H"	44.97116
"181256"	850.439518	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+2Na"	45.978436
"615350"	1264.164668	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+2Na"	45.978436
"1122135"	436.714368	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2Na"	45.978436
"1400193"	291.478670666667	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H+2Na"	46.985712
"1434494"	874.463046	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H+HCOOH"	47.012746
"231851"	855.47254	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+3H2O+2H"	56.04448
"1520643"	888.51509	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+IsoProp+H"	61.06479
"421426"	858.426488	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+Na+K"	61.952376
"784616"	1272.151638	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+Na+K"	61.952376
"1679120"	444.701338	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Na+K"	61.952376
"266497"	1718.916368	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+ACN+Na"	64.015768
"1240054"	891.466068	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+ACN+Na"	64.015768
"1726143"	891.489593	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+NH4+HCOOH"	64.039293
"1192959"	298.805984666667	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+3Na"	68.967654
"1662854"	896.444988	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Na+HCOOH"	68.994688
"170438"	1731.81964	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+2K-H"	76.91904
"610973"	2559.26994	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+2K-H"	76.91904
"1090136"	904.36934	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2K-H"	76.91904
"148047"	866.413458	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"2M+2K"	77.926316
"591980"	1280.138608	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"3M+2K"	77.926316
"1076496"	452.688308	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2K"	77.926316
"1106426"	906.383892	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2K+H"	78.933592
"1341717"	906.471507	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+DMSO+H"	79.021207
"1009151"	910.510676	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2ACN+H"	83.060376
"1532744"	911.504308	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+IsoProp+Na+H"	84.054008
"994819"	455.758976	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+2ACN+2H"	84.067652
"1589322"	912.418928	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+K+HCOOH"	84.968628
"1419357"	942.450438	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+H+CF3COOH"	115.000138
"1150739"	476.272251	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+3ACN+2H"	125.094202
"1701383"	959.476985	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+NH4+CF3COOH"	132.026685
"1634845"	964.43238	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+Na+CF3COOH"	136.98208
"1573050"	980.40632	"C15704"	"Tubulysin D"	"C43H65N5O9S"	"827.4503"	"M+K+CF3COOH"	152.95602
"802327"	813.4346	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M"	0
"977680"	794.41621	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-H2O-H"	-19.01839
"66287"	541.282457333333	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M-3H"	-3.021828
"510952"	812.427324	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M-3H"	-3.021828
"889849"	270.137590666667	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-3H"	-3.021828
"10611"	812.427324	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M-2H"	-2.014552
"445799"	1219.144624	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M-2H"	-2.014552
"822509"	405.710024	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-2H"	-2.014552
"90884"	1625.861924	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M-H"	-1.007276
"525341"	2439.296524	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M-H"	-1.007276
"896947"	812.427324	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-H"	-1.007276
"53143"	1642.888471	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M-2H+NH4"	16.019271
"494890"	2456.323071	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M-2H+NH4"	16.019271
"868321"	829.453871	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-2H+NH4"	16.019271
"36221"	1647.843866	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M-2H+Na"	20.974666
"477969"	2461.278466	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M-2H+Na"	20.974666
"859055"	834.409266	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-2H+Na"	20.974666
"1632239"	834.409266	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Na-2H"	20.974666
"108406"	830.415663	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M-H+Cl"	33.962126
"546139"	1237.132963	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M-H+Cl"	33.962126
"938924"	423.698363	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-H+Cl"	33.962126
"282521"	1661.838602	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+Cl"	34.969402
"672092"	2475.273202	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+Cl"	34.969402
"1284493"	848.404002	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Cl"	34.969402
"28875"	1663.817806	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M-2H+K"	36.948606
"465882"	2477.252406	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M-2H+K"	36.948606
"842589"	850.383206	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-2H+K"	36.948606
"1566077"	850.383206	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+K-2H"	36.948606
"951773"	858.432794	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-H+HCOOH"	44.998194
"372176"	1671.867401	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+HCOOH-H"	44.998201
"357152"	1685.883051	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+Hac-H"	59.013851
"1501613"	872.448451	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Hac-H"	59.013851
"970247"	880.414751	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-H+NaCOOH"	66.980151
"120619"	848.404002	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+2Cl"	69.938804
"560907"	1255.121302	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+2Cl"	69.938804
"1030798"	441.686702	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2Cl"	69.938804
"1247094"	892.353485	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Br"	78.918885
"1310642"	894.409472	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Cl+HCOOH"	80.974872
"1327047"	916.391429	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Cl+NaCOOH"	102.956829
"925030"	926.420186	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M-H+CF3COOH"	112.985586
"1294815"	962.396864	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Cl+CF3COOH"	148.962264
"1375161"	778.421924	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H-2H2O"	-35.012676
"1392658"	796.4319	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H-H2O"	-17.0027
"296353"	1627.876476	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+H"	1.007276
"680396"	2441.311076	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+H"	1.007276
"1356744"	814.441876	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H"	1.007276
"131822"	814.441876	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+2H"	2.014552
"575757"	1221.159176	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+2H"	2.014552
"1041274"	407.724576	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2H"	2.014552
"211362"	543.297009333333	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+3H"	3.021828
"653109"	814.441876	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+3H"	3.021828
"1166862"	272.152142666667	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+3H"	3.021828
"425272"	1644.903023	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+NH4"	18.033823
"787602"	2458.337623	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+NH4"	18.033823
"1682232"	831.468423	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+NH4"	18.033823
"333549"	822.9551495	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+H+NH4"	19.041099
"723050"	1229.6724495	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+H+NH4"	19.041099
"1478697"	416.2378495	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H+NH4"	19.041099
"394582"	1649.858418	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+Na"	22.989218
"756187"	2463.293018	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+Na"	22.989218
"1605379"	836.423818	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Na"	22.989218
"316509"	825.432847	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+H+Na"	23.996494
"715493"	1232.150147	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+H+Na"	23.996494
"1463843"	418.715547	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H+Na"	23.996494
"1068244"	279.479456666667	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2H+Na"	25.00377
"1272679"	846.468086	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+CH3OH+H"	33.033486
"383916"	1665.832358	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+K"	38.963158
"753949"	2479.266958	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+K"	38.963158
"1553528"	852.397758	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+K"	38.963158
"312532"	833.419817	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+H+K"	39.970434
"704954"	1240.137117	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+H+K"	39.970434
"1455857"	426.702517	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H+K"	39.970434
"248827"	1668.903026	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+ACN+H"	42.033826
"1220446"	855.468426	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+ACN+H"	42.033826
"1198860"	428.237851	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+ACN+2H"	43.041102
"198289"	1671.84036	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+2Na-H"	44.97116
"635664"	2485.27496	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+2Na-H"	44.97116
"1133214"	858.40576	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2Na-H"	44.97116
"178086"	836.423818	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+2Na"	45.978436
"615459"	1243.141118	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+2Na"	45.978436
"1118965"	429.706518	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2Na"	45.978436
"1402489"	286.806770666667	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H+2Na"	46.985712
"1434604"	860.447346	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H+HCOOH"	47.012746
"226493"	841.45684	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+3H2O+2H"	56.04448
"1520753"	874.49939	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+IsoProp+H"	61.06479
"418616"	844.410788	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+Na+K"	61.952376
"781440"	1251.128088	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+Na+K"	61.952376
"1679959"	437.693488	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Na+K"	61.952376
"267093"	1690.884968	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+ACN+Na"	64.015768
"1240287"	877.450368	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+ACN+Na"	64.015768
"1727954"	877.473893	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+NH4+HCOOH"	64.039293
"1192827"	294.134084666667	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+3Na"	68.967654
"1662599"	882.429288	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Na+HCOOH"	68.994688
"170548"	1703.78824	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+2K-H"	76.91904
"611202"	2517.22284	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+2K-H"	76.91904
"1095713"	890.35364	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2K-H"	76.91904
"150344"	852.397758	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"2M+2K"	77.926316
"592091"	1259.115058	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"3M+2K"	77.926316
"1078793"	445.680458	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2K"	77.926316
"1109816"	892.368192	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2K+H"	78.933592
"1345104"	892.455807	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+DMSO+H"	79.021207
"1013636"	896.494976	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2ACN+H"	83.060376
"1532853"	897.488608	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+IsoProp+Na+H"	84.054008
"1002218"	448.751126	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+2ACN+2H"	84.067652
"1589432"	898.403228	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+K+HCOOH"	84.968628
"1416184"	928.434738	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+H+CF3COOH"	115.000138
"1149755"	469.264401	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+3ACN+2H"	125.094202
"1698212"	945.461285	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+NH4+CF3COOH"	132.026685
"1636048"	950.41668	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+Na+CF3COOH"	136.98208
"1571945"	966.39062	"C15705"	"Tubulysin E"	"C42H63N5O9S"	"813.4346"	"M+K+CF3COOH"	152.95602
"808635"	717.4452	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M"	0
"985448"	698.42681	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-H2O-H"	-19.01839
"74784"	477.289524	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M-3H"	-3.021828
"509971"	716.437924	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M-3H"	-3.021828
"885587"	238.141124	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-3H"	-3.021828
"6348"	716.437924	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M-2H"	-2.014552
"454293"	1075.160524	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M-2H"	-2.014552
"824809"	357.715324	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-2H"	-2.014552
"90266"	1433.883124	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M-H"	-1.007276
"525454"	2151.328324	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M-H"	-1.007276
"899976"	716.437924	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-H"	-1.007276
"52163"	1450.909671	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M-2H+NH4"	16.019271
"492816"	2168.354871	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M-2H+NH4"	16.019271
"873900"	733.464471	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-2H+NH4"	16.019271
"39615"	1455.865066	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M-2H+Na"	20.974666
"484282"	2173.310266	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M-2H+Na"	20.974666
"859167"	738.419866	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-2H+Na"	20.974666
"1633077"	738.419866	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Na-2H"	20.974666
"107785"	734.426263	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M-H+Cl"	33.962126
"546615"	1093.148863	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M-H+Cl"	33.962126
"942525"	375.703663	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-H+Cl"	33.962126
"282618"	1469.859802	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+Cl"	34.969402
"674266"	2187.305002	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+Cl"	34.969402
"1283875"	752.414602	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Cl"	34.969402
"29715"	1471.839006	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M-2H+K"	36.948606
"468177"	2189.284206	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M-2H+K"	36.948606
"844524"	754.393806	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-2H+K"	36.948606
"1565096"	754.393806	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+K-2H"	36.948606
"950790"	762.443394	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-H+HCOOH"	44.998194
"371193"	1479.888601	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+HCOOH-H"	44.998201
"355077"	1493.904251	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+Hac-H"	59.013851
"1499537"	776.459051	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Hac-H"	59.013851
"965986"	784.425351	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-H+NaCOOH"	66.980151
"123651"	752.414602	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+2Cl"	69.938804
"562842"	1111.137202	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+2Cl"	69.938804
"1030909"	393.692002	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2Cl"	69.938804
"1247569"	796.364085	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Br"	78.918885
"1316953"	798.420072	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Cl+HCOOH"	80.974872
"1333355"	820.402029	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Cl+NaCOOH"	102.956829
"927000"	830.430786	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M-H+CF3COOH"	112.985586
"1300029"	866.407464	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Cl+CF3COOH"	148.962264
"1376368"	682.432524	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H-2H2O"	-35.012676
"1398237"	700.4425	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H-H2O"	-17.0027
"297559"	1435.897676	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+H"	1.007276
"683786"	2153.342876	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+H"	1.007276
"1363414"	718.452476	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H"	1.007276
"135212"	718.452476	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+2H"	2.014552
"575869"	1077.175076	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+2H"	2.014552
"1043574"	359.729876	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2H"	2.014552
"212568"	479.304076	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+3H"	3.021828
"654316"	718.452476	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+3H"	3.021828
"1168067"	240.155676	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+3H"	3.021828
"430246"	1452.924223	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+NH4"	18.033823
"790147"	2170.369423	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+NH4"	18.033823
"1686477"	735.479023	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+NH4"	18.033823
"333663"	726.9657495	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+H+NH4"	19.041099
"729364"	1085.6883495	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+H+NH4"	19.041099
"1478931"	368.2431495	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H+NH4"	19.041099
"393191"	1457.879618	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+Na"	22.989218
"755567"	2175.324818	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+Na"	22.989218
"1603300"	740.434418	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Na"	22.989218
"317716"	729.443447	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+H+Na"	23.996494
"710135"	1088.166047	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+H+Na"	23.996494
"1463103"	370.720847	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H+Na"	23.996494
"1064508"	247.48299	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2H+Na"	25.00377
"1268374"	750.478686	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+CH3OH+H"	33.033486
"390229"	1473.853558	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+K"	38.963158
"749402"	2191.298758	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+K"	38.963158
"1552910"	756.408358	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+K"	38.963158
"303165"	737.430417	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+H+K"	39.970434
"702147"	1096.153017	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+H+K"	39.970434
"1457786"	378.707817	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H+K"	39.970434
"247845"	1476.924226	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+ACN+H"	42.033826
"1215086"	759.479026	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+ACN+H"	42.033826
"1196782"	380.243151	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+ACN+2H"	43.041102
"188921"	1479.86156	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+2Na-H"	44.97116
"629455"	2197.30676	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+2Na-H"	44.97116
"1131860"	762.41636	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2Na-H"	44.97116
"175646"	740.434418	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+2Na"	45.978436
"618852"	1099.157018	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+2Na"	45.978436
"1119441"	381.711818	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2Na"	45.978436
"1404422"	254.810304	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H+2Na"	46.985712
"1431797"	764.457946	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H+HCOOH"	47.012746
"228790"	745.46744	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+3H2O+2H"	56.04448
"1520133"	778.50999	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+IsoProp+H"	61.06479
"418727"	748.421388	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+Na+K"	61.952376
"784468"	1107.143988	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+Na+K"	61.952376
"1678978"	389.698788	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Na+K"	61.952376
"265502"	1498.906168	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+ACN+Na"	64.015768
"1239306"	781.460968	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+ACN+Na"	64.015768
"1725640"	781.484493	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+NH4+HCOOH"	64.039293
"1191724"	262.137618	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+3Na"	68.967654
"1663073"	786.439888	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Na+HCOOH"	68.994688
"171388"	1511.80944	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+2K-H"	76.91904
"611311"	2229.25464	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+2K-H"	76.91904
"1096918"	794.36424	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2K-H"	76.91904
"152642"	756.408358	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"2M+2K"	77.926316
"596091"	1115.130958	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"3M+2K"	77.926316
"1081090"	397.685758	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2K"	77.926316
"1106643"	796.378792	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2K+H"	78.933592
"1340841"	796.466407	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+DMSO+H"	79.021207
"1014838"	800.505576	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2ACN+H"	83.060376
"1531870"	801.499208	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+IsoProp+Na+H"	84.054008
"999411"	400.756426	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+2ACN+2H"	84.067652
"1592823"	802.413828	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+K+HCOOH"	84.968628
"1415319"	832.445338	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+H+CF3COOH"	115.000138
"1149863"	421.269701	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+3ACN+2H"	125.094202
"1698323"	849.471885	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+NH4+CF3COOH"	132.026685
"1634698"	854.42728	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+Na+CF3COOH"	136.98208
"1571690"	870.40122	"C15706"	"Spinosyn H"	"C40H63NO10"	"717.4452"	"M+K+CF3COOH"	152.95602
"808743"	717.4452	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M"	0
"978996"	698.42681	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-H2O-H"	-19.01839
"66146"	477.289524	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M-3H"	-3.021828
"515547"	716.437924	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M-3H"	-3.021828
"892257"	238.141124	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-3H"	-3.021828
"10832"	716.437924	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M-2H"	-2.014552
"454766"	1075.160524	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M-2H"	-2.014552
"819812"	357.715324	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-2H"	-2.014552
"84908"	1433.883124	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M-H"	-1.007276
"531394"	2151.328324	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M-H"	-1.007276
"903364"	716.437924	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-H"	-1.007276
"53365"	1450.909671	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M-2H+NH4"	16.019271
"491831"	2168.354871	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M-2H+NH4"	16.019271
"869635"	733.464471	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-2H+NH4"	16.019271
"38630"	1455.865066	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M-2H+Na"	20.974666
"484027"	2173.310266	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M-2H+Na"	20.974666
"860372"	738.419866	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-2H+Na"	20.974666
"1632823"	738.419866	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Na-2H"	20.974666
"108259"	734.426263	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M-H+Cl"	33.962126
"547089"	1093.148863	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M-H+Cl"	33.962126
"942513"	375.703663	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-H+Cl"	33.962126
"282566"	1469.859802	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+Cl"	34.969402
"675561"	2187.305002	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+Cl"	34.969402
"1283985"	752.414602	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Cl"	34.969402
"28731"	1471.839006	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M-2H+K"	36.948606
"465007"	2189.284206	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M-2H+K"	36.948606
"845729"	754.393806	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-2H+K"	36.948606
"1567030"	754.393806	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+K-2H"	36.948606
"955277"	762.443394	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-H+HCOOH"	44.998194
"369118"	1479.888601	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+HCOOH-H"	44.998201
"357374"	1493.904251	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+Hac-H"	59.013851
"1498554"	776.459051	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Hac-H"	59.013851
"969012"	784.425351	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-H+NaCOOH"	66.980151
"119382"	752.414602	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+2Cl"	69.938804
"558941"	1111.137202	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+2Cl"	69.938804
"1033571"	393.692002	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2Cl"	69.938804
"1253876"	796.364085	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Br"	78.918885
"1317060"	798.420072	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Cl+HCOOH"	80.974872
"1333465"	820.402029	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Cl+NaCOOH"	102.956829
"925618"	830.430786	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M-H+CF3COOH"	112.985586
"1299410"	866.407464	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Cl+CF3COOH"	148.962264
"1373197"	682.432524	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H-2H2O"	-35.012676
"1397497"	700.4425	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H-H2O"	-17.0027
"297671"	1435.897676	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+H"	1.007276
"684991"	2153.342876	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+H"	1.007276
"1362433"	718.452476	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H"	1.007276
"137509"	718.452476	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+2H"	2.014552
"577072"	1077.175076	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+2H"	2.014552
"1043684"	359.729876	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2H"	2.014552
"211585"	479.304076	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+3H"	3.021828
"657706"	718.452476	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+3H"	3.021828
"1172552"	240.155676	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+3H"	3.021828
"430355"	1452.924223	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+NH4"	18.033823
"790257"	2170.369423	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+NH4"	18.033823
"1687681"	735.479023	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+NH4"	18.033823
"343614"	726.9657495	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+H+NH4"	19.041099
"732755"	1085.6883495	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+H+NH4"	19.041099
"1477947"	368.2431495	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H+NH4"	19.041099
"393226"	1457.879618	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+Na"	22.989218
"754586"	2175.324818	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+Na"	22.989218
"1609975"	740.434418	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Na"	22.989218
"321107"	729.443447	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+H+Na"	23.996494
"712434"	1088.166047	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+H+Na"	23.996494
"1465161"	370.720847	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H+Na"	23.996494
"1056217"	247.48299	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2H+Na"	25.00377
"1259723"	750.478686	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+CH3OH+H"	33.033486
"388517"	1473.853558	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+K"	38.963158
"752430"	2191.298758	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+K"	38.963158
"1549379"	756.408358	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+K"	38.963158
"302182"	737.430417	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+H+K"	39.970434
"702257"	1096.153017	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+H+K"	39.970434
"1454983"	378.707817	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H+K"	39.970434
"247956"	1476.924226	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+ACN+H"	42.033826
"1216290"	759.479026	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+ACN+H"	42.033826
"1200174"	380.243151	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+ACN+2H"	43.041102
"191220"	1479.86156	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+2Na-H"	44.97116
"632967"	2197.30676	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+2Na-H"	44.97116
"1131360"	762.41636	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2Na-H"	44.97116
"178672"	740.434418	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+2Na"	45.978436
"619326"	1099.157018	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+2Na"	45.978436
"1122831"	381.711818	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2Na"	45.978436
"1403439"	254.810304	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H+2Na"	46.985712
"1435553"	764.457946	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H+HCOOH"	47.012746
"234367"	745.46744	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+3H2O+2H"	56.04448
"1521702"	778.50999	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+IsoProp+H"	61.06479
"415556"	748.421388	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+Na+K"	61.952376
"785227"	1107.143988	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+Na+K"	61.952376
"1680788"	389.698788	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Na+K"	61.952376
"266222"	1498.906168	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+ACN+Na"	64.015768
"1240144"	781.460968	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+ACN+Na"	64.015768
"1725386"	781.484493	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+NH4+HCOOH"	64.039293
"1189647"	262.137618	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+3Na"	68.967654
"1664278"	786.439888	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Na+HCOOH"	68.994688
"171741"	1511.80944	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+2K-H"	76.91904
"607047"	2229.25464	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+2K-H"	76.91904
"1095934"	794.36424	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2K-H"	76.91904
"148377"	756.408358	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"2M+2K"	77.926316
"594498"	1115.130958	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"3M+2K"	77.926316
"1083631"	397.685758	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2K"	77.926316
"1108940"	796.378792	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2K+H"	78.933592
"1344231"	796.466407	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+DMSO+H"	79.021207
"1018228"	800.505576	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2ACN+H"	83.060376
"1530886"	801.499208	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+IsoProp+Na+H"	84.054008
"1003894"	400.756426	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+2ACN+2H"	84.067652
"1595119"	802.413828	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+K+HCOOH"	84.968628
"1415312"	832.445338	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+H+CF3COOH"	115.000138
"1147788"	421.269701	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+3ACN+2H"	125.094202
"1698798"	849.471885	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+NH4+CF3COOH"	132.026685
"1634809"	854.42728	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+Na+CF3COOH"	136.98208
"1571318"	870.40122	"C15707"	"Spinosyn J"	"C40H63NO10"	"717.4452"	"M+K+CF3COOH"	152.95602
"802293"	717.4452	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M"	0
"976919"	698.42681	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-H2O-H"	-19.01839
"67349"	477.289524	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M-3H"	-3.021828
"505815"	716.437924	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M-3H"	-3.021828
"893461"	238.141124	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-3H"	-3.021828
"14589"	716.437924	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M-2H"	-2.014552
"453784"	1075.160524	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M-2H"	-2.014552
"819560"	357.715324	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-2H"	-2.014552
"88298"	1433.883124	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M-H"	-1.007276
"528952"	2151.328324	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M-H"	-1.007276
"897036"	716.437924	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-H"	-1.007276
"50194"	1450.909671	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M-2H+NH4"	16.019271
"490848"	2168.354871	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M-2H+NH4"	16.019271
"871934"	733.464471	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-2H+NH4"	16.019271
"38740"	1455.865066	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M-2H+Na"	20.974666
"484870"	2173.310266	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M-2H+Na"	20.974666
"860483"	738.419866	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-2H+Na"	20.974666
"1633300"	738.419866	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Na-2H"	20.974666
"108008"	734.426263	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M-H+Cl"	33.962126
"547564"	1093.148863	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M-H+Cl"	33.962126
"941452"	375.703663	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-H+Cl"	33.962126
"281951"	1469.859802	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+Cl"	34.969402
"675265"	2187.305002	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+Cl"	34.969402
"1287628"	752.414602	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Cl"	34.969402
"28477"	1471.839006	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M-2H+K"	36.948606
"466213"	2189.284206	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M-2H+K"	36.948606
"840737"	754.393806	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-2H+K"	36.948606
"1559850"	754.393806	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+K-2H"	36.948606
"949920"	762.443394	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-H+HCOOH"	44.998194
"370322"	1479.888601	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+HCOOH-H"	44.998201
"357122"	1493.904251	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+Hac-H"	59.013851
"1499757"	776.459051	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Hac-H"	59.013851
"968029"	784.425351	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-H+NaCOOH"	66.980151
"120586"	752.414602	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+2Cl"	69.938804
"562332"	1111.137202	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+2Cl"	69.938804
"1031859"	393.692002	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2Cl"	69.938804
"1253625"	796.364085	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Br"	78.918885
"1318629"	798.420072	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Cl+HCOOH"	80.974872
"1332482"	820.402029	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Cl+NaCOOH"	102.956829
"925361"	830.430786	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M-H+CF3COOH"	112.985586
"1300614"	866.407464	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Cl+CF3COOH"	148.962264
"1381327"	682.432524	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H-2H2O"	-35.012676
"1398177"	700.4425	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H-H2O"	-17.0027
"297051"	1435.897676	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+H"	1.007276
"688377"	2153.342876	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+H"	1.007276
"1359262"	718.452476	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H"	1.007276
"136526"	718.452476	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+2H"	2.014552
"574996"	1077.175076	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+2H"	2.014552
"1044889"	359.729876	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2H"	2.014552
"214976"	479.304076	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+3H"	3.021828
"657452"	718.452476	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+3H"	3.021828
"1173755"	240.155676	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+3H"	3.021828
"433747"	1452.924223	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+NH4"	18.033823
"791461"	2170.369423	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+NH4"	18.033823
"1692165"	735.479023	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+NH4"	18.033823
"343724"	726.9657495	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+H+NH4"	19.041099
"732865"	1085.6883495	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+H+NH4"	19.041099
"1482311"	368.2431495	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H+NH4"	19.041099
"393331"	1457.879618	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+Na"	22.989218
"756517"	2175.324818	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+Na"	22.989218
"1610085"	740.434418	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Na"	22.989218
"320122"	729.443447	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+H+Na"	23.996494
"713639"	1088.166047	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+H+Na"	23.996494
"1464175"	370.720847	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H+Na"	23.996494
"1054140"	247.48299	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2H+Na"	25.00377
"1260198"	750.478686	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+CH3OH+H"	33.033486
"387534"	1473.853558	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+K"	38.963158
"749624"	2191.298758	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+K"	38.963158
"1549489"	756.408358	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+K"	38.963158
"305573"	737.430417	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+H+K"	39.970434
"700180"	1096.153017	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+H+K"	39.970434
"1456914"	378.707817	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H+K"	39.970434
"247702"	1476.924226	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+ACN+H"	42.033826
"1213484"	759.479026	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+ACN+H"	42.033826
"1199190"	380.243151	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+ACN+2H"	43.041102
"191694"	1479.86156	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+2Na-H"	44.97116
"629797"	2197.30676	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+2Na-H"	44.97116
"1133302"	762.41636	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2Na-H"	44.97116
"178782"	740.434418	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+2Na"	45.978436
"616884"	1099.157018	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+2Na"	45.978436
"1123671"	381.711818	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2Na"	45.978436
"1408288"	254.810304	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H+2Na"	46.985712
"1438215"	764.457946	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H+HCOOH"	47.012746
"231197"	745.46744	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+3H2O+2H"	56.04448
"1518167"	778.50999	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+IsoProp+H"	61.06479
"415666"	748.421388	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+Na+K"	61.952376
"784323"	1107.143988	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+Na+K"	61.952376
"1681019"	389.698788	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Na+K"	61.952376
"265357"	1498.906168	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+ACN+Na"	64.015768
"1238796"	781.460968	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+ACN+Na"	64.015768
"1722945"	781.484493	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+NH4+HCOOH"	64.039293
"1189392"	262.137618	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+3Na"	68.967654
"1662202"	786.439888	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Na+HCOOH"	68.994688
"169786"	1511.80944	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+2K-H"	76.91904
"608253"	2229.25464	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+2K-H"	76.91904
"1093857"	794.36424	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2K-H"	76.91904
"148487"	756.408358	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"2M+2K"	77.926316
"592420"	1115.130958	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"3M+2K"	77.926316
"1080214"	397.685758	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2K"	77.926316
"1109048"	796.378792	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2K+H"	78.933592
"1346527"	796.466407	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+DMSO+H"	79.021207
"1019431"	800.505576	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2ACN+H"	83.060376
"1527715"	801.499208	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+IsoProp+Na+H"	84.054008
"998537"	400.756426	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+2ACN+2H"	84.067652
"1593042"	802.413828	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+K+HCOOH"	84.968628
"1414571"	832.445338	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+H+CF3COOH"	115.000138
"1148991"	421.269701	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+3ACN+2H"	125.094202
"1701824"	849.471885	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+NH4+CF3COOH"	132.026685
"1635283"	854.42728	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+Na+CF3COOH"	136.98208
"1571547"	870.40122	"C15708"	"Spinosyn K"	"C40H63NO10"	"717.4452"	"M+K+CF3COOH"	152.95602
"812244"	703.4295	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M"	0
"982497"	684.41111	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-H2O-H"	-19.01839
"71833"	467.945724	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M-3H"	-3.021828
"513580"	702.422224	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M-3H"	-3.021828
"894909"	233.469224	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-3H"	-3.021828
"11053"	702.422224	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M-2H"	-2.014552
"453169"	1054.136974	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M-2H"	-2.014552
"822950"	350.707474	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-2H"	-2.014552
"88408"	1405.851724	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M-H"	-1.007276
"529062"	2109.281224	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M-H"	-1.007276
"903585"	702.422224	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-H"	-1.007276
"51399"	1422.878271	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M-2H+NH4"	16.019271
"490955"	2126.307771	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M-2H+NH4"	16.019271
"874230"	719.448771	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-2H+NH4"	16.019271
"38850"	1427.833666	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M-2H+Na"	20.974666
"484980"	2131.263166	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M-2H+Na"	20.974666
"863023"	724.404166	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-2H+Na"	20.974666
"1633659"	724.404166	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Na-2H"	20.974666
"109965"	720.410563	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M-H+Cl"	33.962126
"549747"	1072.125313	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M-H+Cl"	33.962126
"942580"	368.695813	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-H+Cl"	33.962126
"282193"	1441.828402	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+Cl"	34.969402
"675460"	2145.257902	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+Cl"	34.969402
"1287251"	738.398902	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Cl"	34.969402
"28224"	1443.807606	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M-2H+K"	36.948606
"466324"	2147.237106	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M-2H+K"	36.948606
"841940"	740.378106	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-2H+K"	36.948606
"1564333"	740.378106	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+K-2H"	36.948606
"953310"	748.427694	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-H+HCOOH"	44.998194
"370432"	1451.857201	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+HCOOH-H"	44.998201
"357232"	1465.872851	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+Hac-H"	59.013851
"1500960"	762.443351	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Hac-H"	59.013851
"968503"	770.409651	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-H+NaCOOH"	66.980151
"124341"	738.398902	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+2Cl"	69.938804
"560985"	1090.113652	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+2Cl"	69.938804
"1030146"	386.684152	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2Cl"	69.938804
"1254099"	782.348385	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Br"	78.918885
"1318254"	784.404372	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Cl+HCOOH"	80.974872
"1335024"	806.386329	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Cl+NaCOOH"	102.956829
"924985"	816.415086	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M-H+CF3COOH"	112.985586
"1302668"	852.391764	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Cl+CF3COOH"	148.962264
"1381802"	668.416824	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H-2H2O"	-35.012676
"1398411"	686.4268	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H-H2O"	-17.0027
"297770"	1407.866276	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+H"	1.007276
"688487"	2111.295776	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+H"	1.007276
"1363748"	704.436776	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H"	1.007276
"136636"	704.436776	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+2H"	2.014552
"580575"	1056.151526	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+2H"	2.014552
"1049374"	352.722026	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2H"	2.014552
"218366"	469.960276	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+3H"	3.021828
"659019"	704.436776	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+3H"	3.021828
"1176053"	235.483776	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+3H"	3.021828
"434950"	1424.892823	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+NH4"	18.033823
"793758"	2128.322323	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+NH4"	18.033823
"1690088"	721.463323	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+NH4"	18.033823
"343834"	712.9500495	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+H+NH4"	19.041099
"735891"	1064.6647995	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+H+NH4"	19.041099
"1484608"	361.2352995	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H+NH4"	19.041099
"396725"	1429.848218	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+Na"	22.989218
"762094"	2133.277718	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+Na"	22.989218
"1605818"	726.418718	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Na"	22.989218
"319136"	715.427747	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+H+Na"	23.996494
"715933"	1067.142497	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+H+Na"	23.996494
"1464285"	363.712997	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H+Na"	23.996494
"1056437"	242.81109	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2H+Na"	25.00377
"1263587"	736.462986	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+CH3OH+H"	33.033486
"391656"	1445.822158	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+K"	38.963158
"752649"	2149.251658	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+K"	38.963158
"1553244"	742.392658	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+K"	38.963158
"313338"	723.414717	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+H+K"	39.970434
"703938"	1075.129467	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+H+K"	39.970434
"1457755"	371.699967	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H+K"	39.970434
"249637"	1448.892826	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+ACN+H"	42.033826
"1220884"	745.463326	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+ACN+H"	42.033826
"1204767"	373.235301	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+ACN+2H"	43.041102
"194356"	1451.83016	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+2Na-H"	44.97116
"635374"	2155.25966	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+2Na-H"	44.97116
"1136328"	748.40066	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2Na-H"	44.97116
"184726"	726.418718	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+2Na"	45.978436
"622462"	1078.133468	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+2Na"	45.978436
"1124874"	374.703968	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2Na"	45.978436
"1408398"	250.138404	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H+2Na"	46.985712
"1438325"	750.442246	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H+HCOOH"	47.012746
"226932"	731.45174	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+3H2O+2H"	56.04448
"1514996"	764.49429	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+IsoProp+H"	61.06479
"413588"	734.405688	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+Na+K"	61.952376
"783708"	1086.120438	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+Na+K"	61.952376
"1678579"	382.690938	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Na+K"	61.952376
"264011"	1470.874768	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+ACN+Na"	64.015768
"1236720"	767.445268	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+ACN+Na"	64.015768
"1725244"	767.468793	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+NH4+HCOOH"	64.039293
"1190235"	257.465718	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+3Na"	68.967654
"1660855"	772.424188	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Na+HCOOH"	68.994688
"168807"	1483.77804	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+2K-H"	76.91904
"609824"	2187.20754	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+2K-H"	76.91904
"1095427"	780.34854	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2K-H"	76.91904
"150785"	742.392658	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"2M+2K"	77.926316
"591437"	1094.107408	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"3M+2K"	77.926316
"1077044"	390.677908	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2K"	77.926316
"1108065"	782.363092	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2K+H"	78.933592
"1344450"	782.450707	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+DMSO+H"	79.021207
"1017355"	786.489876	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2ACN+H"	83.060376
"1526732"	787.483508	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+IsoProp+Na+H"	84.054008
"995367"	393.748576	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+2ACN+2H"	84.067652
"1593151"	788.398128	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+K+HCOOH"	84.968628
"1414721"	818.429638	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+H+CF3COOH"	115.000138
"1147521"	414.261851	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+3ACN+2H"	125.094202
"1699746"	835.456185	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+NH4+CF3COOH"	132.026685
"1634462"	840.41158	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+Na+CF3COOH"	136.98208
"1572144"	856.38552	"C15709"	"Spinosyn P"	"C39H61NO10"	"703.4295"	"M+K+CF3COOH"	152.95602
"803241"	513.2492	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M"	0
"982607"	494.23081	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-H2O-H"	-19.01839
"75224"	341.158857333333	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M-3H"	-3.021828
"513691"	512.241924	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M-3H"	-3.021828
"893680"	170.075790666667	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-3H"	-3.021828
"11165"	512.241924	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M-2H"	-2.014552
"450726"	768.866524	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M-2H"	-2.014552
"828527"	255.617324	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-2H"	-2.014552
"89613"	1025.491124	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M-H"	-1.007276
"525893"	1538.740324	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M-H"	-1.007276
"897500"	512.241924	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-H"	-1.007276
"49443"	1042.517671	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M-2H+NH4"	16.019271
"487784"	1555.766871	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M-2H+NH4"	16.019271
"874340"	529.268471	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-2H+NH4"	16.019271
"38960"	1047.473066	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M-2H+Na"	20.974666
"485575"	1560.722266	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M-2H+Na"	20.974666
"861067"	534.223866	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-2H+Na"	20.974666
"1633406"	534.223866	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Na-2H"	20.974666
"108718"	530.230263	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M-H+Cl"	33.962126
"549127"	786.854863	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M-H+Cl"	33.962126
"941796"	273.605663	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-H+Cl"	33.962126
"282057"	1061.467802	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+Cl"	34.969402
"674841"	1574.717002	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+Cl"	34.969402
"1287928"	548.218602	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Cl"	34.969402
"28334"	1063.447006	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M-2H+K"	36.948606
"468623"	1576.696206	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M-2H+K"	36.948606
"846791"	550.197806	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-2H+K"	36.948606
"1567726"	550.197806	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+K-2H"	36.948606
"954151"	558.247394	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-H+HCOOH"	44.998194
"372730"	1071.496601	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+HCOOH-H"	44.998201
"356613"	1085.512251	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+Hac-H"	59.013851
"1501070"	572.263051	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Hac-H"	59.013851
"968613"	580.229351	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-H+NaCOOH"	66.980151
"124571"	548.218602	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+2Cl"	69.938804
"561095"	804.843202	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+2Cl"	69.938804
"1029163"	291.594002	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2Cl"	69.938804
"1254574"	592.168085	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Br"	78.918885
"1319212"	594.224072	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Cl+HCOOH"	80.974872
"1333797"	616.206029	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Cl+NaCOOH"	102.956829
"926312"	626.234786	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M-H+CF3COOH"	112.985586
"1303023"	662.211464	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Cl+CF3COOH"	148.962264
"1381184"	478.236524	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H-2H2O"	-35.012676
"1395399"	496.2465	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H-H2O"	-17.0027
"297272"	1027.505676	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+H"	1.007276
"686411"	1540.754876	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+H"	1.007276
"1366776"	514.256476	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H"	1.007276
"141124"	514.256476	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+2H"	2.014552
"579228"	770.881076	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+2H"	2.014552
"1049485"	257.631876	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2H"	2.014552
"216293"	343.173409333333	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+3H"	3.021828
"658765"	514.256476	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+3H"	3.021828
"1176042"	172.090342666667	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+3H"	3.021828
"435060"	1044.532223	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+NH4"	18.033823
"793868"	1557.781423	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+NH4"	18.033823
"1690198"	531.283023	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+NH4"	18.033823
"340664"	522.7697495	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+H+NH4"	19.041099
"735272"	779.3943495	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+H+NH4"	19.041099
"1485811"	266.1451495	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H+NH4"	19.041099
"396106"	1049.487618	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+Na"	22.989218
"761111"	1562.736818	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+Na"	22.989218
"1605199"	536.238418	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Na"	22.989218
"318517"	525.247447	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+H+Na"	23.996494
"710577"	781.872047	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+H+Na"	23.996494
"1462692"	268.622847	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H+Na"	23.996494
"1056547"	179.417656666667	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2H+Na"	25.00377
"1257498"	546.282686	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+CH3OH+H"	33.033486
"391402"	1065.461558	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+K"	38.963158
"753120"	1578.710758	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+K"	38.963158
"1550798"	552.212358	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+K"	38.963158
"312717"	533.234417	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+H+K"	39.970434
"704773"	789.859017	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+H+K"	39.970434
"1458592"	276.609817	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H+K"	39.970434
"248651"	1068.532226	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+ACN+H"	42.033826
"1218808"	555.283026	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+ACN+H"	42.033826
"1202691"	278.145151	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+ACN+2H"	43.041102
"194830"	1071.46956	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+2Na-H"	44.97116
"630016"	1584.71876	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+2Na-H"	44.97116
"1133522"	558.22036	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2Na-H"	44.97116
"185565"	536.238418	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+2Na"	45.978436
"622207"	792.863018	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+2Na"	45.978436
"1125712"	279.613818	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2Na"	45.978436
"1408508"	186.744970666667	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H+2Na"	46.985712
"1438435"	560.261946	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H+HCOOH"	47.012746
"225219"	541.27144	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+3H2O+2H"	56.04448
"1516199"	574.31399	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+IsoProp+H"	61.06479
"411146"	544.225388	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+Na+K"	61.952376
"784424"	800.849988	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+Na+K"	61.952376
"1678689"	287.600788	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Na+K"	61.952376
"264851"	1090.514168	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+ACN+Na"	64.015768
"1239384"	577.264968	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+ACN+Na"	64.015768
"1724990"	577.288493	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+NH4+HCOOH"	64.039293
"1191074"	194.072284666667	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+3Na"	68.967654
"1660965"	582.243888	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Na+HCOOH"	68.994688
"169646"	1103.41744	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+2K-H"	76.91904
"609205"	1616.66664	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+2K-H"	76.91904
"1096265"	590.16824	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2K-H"	76.91904
"151988"	552.212358	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"2M+2K"	77.926316
"591547"	808.836958	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"3M+2K"	77.926316
"1077154"	295.587758	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2K"	77.926316
"1107082"	592.182792	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2K+H"	78.933592
"1343466"	592.270407	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+DMSO+H"	79.021207
"1018558"	596.309576	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2ACN+H"	83.060376
"1529028"	597.303208	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+IsoProp+Na+H"	84.054008
"997663"	298.658426	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+2ACN+2H"	84.067652
"1592167"	598.217828	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+K+HCOOH"	84.968628
"1417832"	628.249338	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+H+CF3COOH"	115.000138
"1148119"	319.171701	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+3ACN+2H"	125.094202
"1702044"	645.275885	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+NH4+CF3COOH"	132.026685
"1634896"	650.23128	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+Na+CF3COOH"	136.98208
"1572254"	666.20522	"C15710"	"Phoslactomycin B"	"C25H40NO8P"	"513.2492"	"M+K+CF3COOH"	152.95602
"803716"	1445.4146	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M"	0
"982717"	1426.39621	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-H2O-H"	-19.01839
"70960"	962.602457333333	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M-3H"	-3.021828
"511614"	1444.407324	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M-3H"	-3.021828
"888323"	480.797590666667	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-3H"	-3.021828
"9087"	1444.407324	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M-2H"	-2.014552
"453752"	2167.114624	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M-2H"	-2.014552
"825357"	721.700024	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-2H"	-2.014552
"88629"	2889.821924	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M-H"	-1.007276
"523816"	4335.236524	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M-H"	-1.007276
"898339"	1444.407324	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-H"	-1.007276
"47168"	2906.848471	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M-2H+NH4"	16.019271
"487198"	4352.263071	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M-2H+NH4"	16.019271
"867890"	1461.433871	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-2H+NH4"	16.019271
"35788"	2911.803866	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M-2H+Na"	20.974666
"485196"	4357.218466	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M-2H+Na"	20.974666
"862998"	1466.389266	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-2H+Na"	20.974666
"1634064"	1466.389266	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Na-2H"	20.974666
"109266"	1462.395663	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M-H+Cl"	33.962126
"549805"	2185.102963	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M-H+Cl"	33.962126
"942260"	739.688363	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-H+Cl"	33.962126
"282483"	2925.798602	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+Cl"	34.969402
"675474"	4371.213202	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+Cl"	34.969402
"1288238"	1480.384002	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Cl"	34.969402
"31160"	2927.777806	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M-2H+K"	36.948606
"466545"	4373.192406	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M-2H+K"	36.948606
"841067"	1482.363206	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-2H+K"	36.948606
"1561274"	1482.363206	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+K-2H"	36.948606
"949156"	1490.412794	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-H+HCOOH"	44.998194
"369559"	2935.827401	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+HCOOH-H"	44.998201
"354536"	2949.843051	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+Hac-H"	59.013851
"1503367"	1504.428451	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Hac-H"	59.013851
"963256"	1512.394751	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-H+NaCOOH"	66.980151
"117631"	1480.384002	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+2Cl"	69.938804
"561570"	2203.091302	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+2Cl"	69.938804
"1028180"	757.676702	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2Cl"	69.938804
"1245571"	1524.333485	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Br"	78.918885
"1313488"	1526.389472	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Cl+HCOOH"	80.974872
"1335452"	1548.371429	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Cl+NaCOOH"	102.956829
"923142"	1558.400186	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M-H+CF3COOH"	112.985586
"1300946"	1594.376864	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Cl+CF3COOH"	148.962264
"1375826"	1410.401924	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H-2H2O"	-35.012676
"1386761"	1428.4119	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H-H2O"	-17.0027
"291913"	2891.836476	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+H"	1.007276
"681054"	4337.251076	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+H"	1.007276
"1361782"	1446.421876	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H"	1.007276
"136857"	1446.421876	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+2H"	2.014552
"576421"	2169.129176	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+2H"	2.014552
"1048500"	723.714576	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2H"	2.014552
"215308"	964.617009333333	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+3H"	3.021828
"657053"	1446.421876	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+3H"	3.021828
"1172992"	482.812142666667	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+3H"	3.021828
"428245"	2908.863023	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+NH4"	18.033823
"788511"	4354.277623	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+NH4"	18.033823
"1685935"	1463.448423	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+NH4"	18.033823
"333849"	1454.9351495	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+H+NH4"	19.041099
"726999"	2177.6424495	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+H+NH4"	19.041099
"1482641"	732.2278495	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H+NH4"	19.041099
"393299"	2913.818418	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+Na"	22.989218
"760128"	4359.233018	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+Na"	22.989218
"1603284"	1468.403818	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Na"	22.989218
"314314"	1457.412847	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+H+Na"	23.996494
"707182"	2180.120147	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+H+Na"	23.996494
"1461310"	734.705547	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H+Na"	23.996494
"1052853"	490.139456666667	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2H+Na"	25.00377
"1257052"	1478.448086	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+CH3OH+H"	33.033486
"392478"	2929.792358	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+K"	38.963158
"751042"	4375.206958	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+K"	38.963158
"1551998"	1484.377758	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+K"	38.963158
"309179"	1465.399817	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+H+K"	39.970434
"704883"	2188.107117	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+H+K"	39.970434
"1458700"	742.692517	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H+K"	39.970434
"245114"	2932.863026	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+ACN+H"	42.033826
"1221833"	1487.448426	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+ACN+H"	42.033826
"1204986"	744.227851	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+ACN+2H"	43.041102
"194940"	2935.80036	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+2Na-H"	44.97116
"630489"	4381.21496	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+2Na-H"	44.97116
"1133753"	1490.38576	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2Na-H"	44.97116
"182392"	1468.403818	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+2Na"	45.978436
"622316"	2191.111118	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+2Na"	45.978436
"1124728"	745.696518	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2Na"	45.978436
"1407158"	497.466770666667	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H+2Na"	46.985712
"1435993"	1492.427346	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H+HCOOH"	47.012746
"224236"	1473.43684	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+3H2O+2H"	56.04448
"1516309"	1506.47939	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+IsoProp+H"	61.06479
"412716"	1476.390788	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+Na+K"	61.952376
"781370"	2199.098088	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+Na+K"	61.952376
"1675515"	753.683488	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Na+K"	61.952376
"266421"	2954.844968	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+ACN+Na"	64.015768
"1240789"	1509.430368	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+ACN+Na"	64.015768
"1726555"	1509.453893	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+NH4+HCOOH"	64.039293
"1191910"	504.794084666667	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+3Na"	68.967654
"1662531"	1514.409288	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Na+HCOOH"	68.994688
"172064"	2967.74824	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+2K-H"	76.91904
"611502"	4413.16284	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+2K-H"	76.91904
"1096375"	1522.33364	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2K-H"	76.91904
"152098"	1484.377758	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"2M+2K"	77.926316
"591657"	2207.085058	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"3M+2K"	77.926316
"1073983"	761.670458	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2K"	77.926316
"1108284"	1524.348192	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2K+H"	78.933592
"1340296"	1524.435807	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+DMSO+H"	79.021207
"1017574"	1528.474976	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2ACN+H"	83.060376
"1526952"	1529.468608	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+IsoProp+Na+H"	84.054008
"997773"	764.741126	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+2ACN+2H"	84.067652
"1591184"	1530.383228	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+K+HCOOH"	84.968628
"1419035"	1560.414738	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+H+CF3COOH"	115.000138
"1148957"	785.254401	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+3ACN+2H"	125.094202
"1702154"	1577.441285	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+NH4+CF3COOH"	132.026685
"1634400"	1582.39668	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+Na+CF3COOH"	136.98208
"1572728"	1598.37062	"C15711"	"Balhimycin"	"C66H73Cl2N9O24"	"1445.4146"	"M+K+CF3COOH"	152.95602
"806014"	422.1334	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M"	0
"982827"	403.11501	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-H2O-H"	-19.01839
"72165"	280.414990666667	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M-3H"	-3.021828
"510631"	421.126124	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M-3H"	-3.021828
"887341"	139.703857333333	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-3H"	-3.021828
"4823"	421.126124	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M-2H"	-2.014552
"447666"	632.192824	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M-2H"	-2.014552
"822187"	210.059424	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-2H"	-2.014552
"85459"	843.259524	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M-H"	-1.007276
"522832"	1265.392924	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M-H"	-1.007276
"895733"	421.126124	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-H"	-1.007276
"47192"	860.286071	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M-2H+NH4"	16.019271
"487185"	1282.419471	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M-2H+NH4"	16.019271
"869093"	438.152671	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-2H+NH4"	16.019271
"35898"	865.241466	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M-2H+Na"	20.974666
"485912"	1287.374866	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M-2H+Na"	20.974666
"860921"	443.108066	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-2H+Na"	20.974666
"1632277"	443.108066	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Na-2H"	20.974666
"109941"	439.114463	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M-H+Cl"	33.962126
"549830"	650.181163	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M-H+Cl"	33.962126
"942494"	228.047763	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-H+Cl"	33.962126
"282019"	879.236202	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+Cl"	34.969402
"673223"	1301.369602	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+Cl"	34.969402
"1288442"	457.102802	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Cl"	34.969402
"28187"	881.215406	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M-2H+K"	36.948606
"464467"	1303.348806	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M-2H+K"	36.948606
"838989"	459.082006	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-2H+K"	36.948606
"1563570"	459.082006	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+K-2H"	36.948606
"947080"	467.131594	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-H+HCOOH"	44.998194
"368576"	889.265001	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+HCOOH-H"	44.998201
"354646"	903.280651	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+Hac-H"	59.013851
"1502384"	481.147251	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Hac-H"	59.013851
"963366"	489.113551	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-H+NaCOOH"	66.980151
"117741"	457.102802	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+2Cl"	69.938804
"555116"	668.169502	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+2Cl"	69.938804
"1022453"	246.036102	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2Cl"	69.938804
"1244948"	501.052285	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Br"	78.918885
"1305943"	503.108272	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Cl+HCOOH"	80.974872
"1322345"	525.090229	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Cl+NaCOOH"	102.956829
"912670"	535.118986	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M-H+CF3COOH"	112.985586
"1294486"	571.095664	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Cl+CF3COOH"	148.962264
"1375936"	387.120724	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H-2H2O"	-35.012676
"1386871"	405.1307	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H-H2O"	-17.0027
"292023"	845.274076	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+H"	1.007276
"683351"	1267.407476	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+H"	1.007276
"1362985"	423.140676	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H"	1.007276
"133686"	423.140676	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+2H"	2.014552
"580663"	634.207376	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+2H"	2.014552
"1049706"	212.073976	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2H"	2.014552
"209950"	282.429542666667	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+3H"	3.021828
"646958"	423.140676	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+3H"	3.021828
"1168729"	141.718409333333	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+3H"	3.021828
"429814"	862.300623	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+NH4"	18.033823
"787526"	1284.434023	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+NH4"	18.033823
"1682034"	440.167223	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+NH4"	18.033823
"332135"	431.6539495	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+H+NH4"	19.041099
"724922"	642.7206495	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+H+NH4"	19.041099
"1484937"	220.5872495	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H+NH4"	19.041099
"395599"	867.256018	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+Na"	22.989218
"754381"	1289.389418	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+Na"	22.989218
"1603351"	445.122618	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Na"	22.989218
"314430"	434.131647	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+H+Na"	23.996494
"707989"	645.198347	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+H+Na"	23.996494
"1461808"	223.064947	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H+Na"	23.996494
"1052869"	149.045723333333	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2H+Na"	25.00377
"1258082"	455.166886	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+CH3OH+H"	33.033486
"390886"	883.229958	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+K"	38.963158
"751150"	1305.363358	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+K"	38.963158
"1555157"	461.096558	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+K"	38.963158
"314198"	442.118617	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+H+K"	39.970434
"706655"	653.185317	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+H+K"	39.970434
"1459904"	231.051917	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H+K"	39.970434
"248507"	886.300626	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+ACN+H"	42.033826
"1219027"	464.167226	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+ACN+H"	42.033826
"1202912"	232.587251	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+ACN+2H"	43.041102
"195781"	889.23796	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+2Na-H"	44.97116
"640810"	1311.37136	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+2Na-H"	44.97116
"1141034"	467.10456	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2Na-H"	44.97116
"182138"	445.122618	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+2Na"	45.978436
"624978"	656.189318	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+2Na"	45.978436
"1124475"	234.055918	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2Na"	45.978436
"1411643"	156.373037333333	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H+2Na"	46.985712
"1438291"	469.146146	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H+HCOOH"	47.012746
"222887"	450.15564	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+3H2O+2H"	56.04448
"1514232"	483.19819	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+IsoProp+H"	61.06479
"412826"	453.109588	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+Na+K"	61.952376
"780387"	664.176288	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+Na+K"	61.952376
"1675625"	242.042888	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Na+K"	61.952376
"265798"	908.282568	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+ACN+Na"	64.015768
"1240938"	486.149168	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+ACN+Na"	64.015768
"1724838"	486.172693	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+NH4+HCOOH"	64.039293
"1193111"	163.700351333333	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+3Na"	68.967654
"1661911"	491.128088	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Na+HCOOH"	68.994688
"172703"	921.18584	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+2K-H"	76.91904
"611248"	1343.31924	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+2K-H"	76.91904
"1099038"	499.05244	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2K-H"	76.91904
"154396"	461.096558	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"2M+2K"	77.926316
"591767"	672.163258	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"3M+2K"	77.926316
"1074093"	250.029858	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2K"	77.926316
"1106208"	501.066992	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2K+H"	78.933592
"1338219"	501.154607	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+DMSO+H"	79.021207
"1016590"	505.193776	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2ACN+H"	83.060376
"1534715"	506.187408	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+IsoProp+Na+H"	84.054008
"994603"	253.100526	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+2ACN+2H"	84.067652
"1596761"	507.102028	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+K+HCOOH"	84.968628
"1425706"	537.133538	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+H+CF3COOH"	115.000138
"1150525"	273.613801	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+3ACN+2H"	125.094202
"1702263"	554.160085	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+NH4+CF3COOH"	132.026685
"1635727"	559.11548	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+Na+CF3COOH"	136.98208
"1571421"	575.08942	"C15712"	"Melithiazole E;Cystothiazole A"	"C20H26N2O4S2"	"422.1334"	"M+K+CF3COOH"	152.95602
"802843"	824.4432	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M"	0
"974672"	805.42481	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-H2O-H"	-19.01839
"70087"	548.621524	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M-3H"	-3.021828
"510741"	823.435924	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M-3H"	-3.021828
"887450"	273.807124	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-3H"	-3.021828
"8214"	823.435924	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M-2H"	-2.014552
"451057"	1235.657524	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M-2H"	-2.014552
"821204"	411.214324	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-2H"	-2.014552
"85570"	1647.879124	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M-H"	-1.007276
"520390"	2472.322324	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M-H"	-1.007276
"895992"	823.435924	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-H"	-1.007276
"47452"	1664.905671	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M-2H+NH4"	16.019271
"487870"	2489.348871	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M-2H+NH4"	16.019271
"868110"	840.462471	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-2H+NH4"	16.019271
"34915"	1669.861066	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M-2H+Na"	20.974666
"485172"	2494.304266	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M-2H+Na"	20.974666
"859939"	845.417866	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-2H+Na"	20.974666
"1630565"	845.417866	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Na-2H"	20.974666
"109163"	841.424263	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M-H+Cl"	33.962126
"545562"	1253.645863	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M-H+Cl"	33.962126
"942118"	429.202663	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-H+Cl"	33.962126
"282662"	1683.855802	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+Cl"	34.969402
"675365"	2508.299002	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+Cl"	34.969402
"1287687"	859.412602	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Cl"	34.969402
"28297"	1685.835006	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M-2H+K"	36.948606
"467858"	2510.278206	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M-2H+K"	36.948606
"842379"	861.391806	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-2H+K"	36.948606
"1563680"	861.391806	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+K-2H"	36.948606
"949377"	869.441394	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-H+HCOOH"	44.998194
"369780"	1693.884601	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+HCOOH-H"	44.998201
"352569"	1707.900251	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+Hac-H"	59.013851
"1502495"	883.457051	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Hac-H"	59.013851
"965663"	891.423351	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-H+NaCOOH"	66.980151
"120040"	859.412602	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+2Cl"	69.938804
"554133"	1271.634202	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+2Cl"	69.938804
"1023659"	447.191002	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2Cl"	69.938804
"1243968"	903.362085	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Br"	78.918885
"1313707"	905.418072	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Cl+HCOOH"	80.974872
"1330111"	927.400029	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Cl+NaCOOH"	102.956829
"920074"	937.428786	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M-H+CF3COOH"	112.985586
"1294596"	973.405464	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Cl+CF3COOH"	148.962264
"1379326"	789.430524	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H-2H2O"	-35.012676
"1395728"	807.4405	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H-H2O"	-17.0027
"293227"	1649.893676	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+H"	1.007276
"687836"	2474.336876	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+H"	1.007276
"1364190"	825.450476	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H"	1.007276
"139266"	825.450476	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+2H"	2.014552
"579918"	1237.672076	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+2H"	2.014552
"1049815"	413.228876	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2H"	2.014552
"216620"	550.636076	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+3H"	3.021828
"658364"	825.450476	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+3H"	3.021828
"1173211"	275.821676	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+3H"	3.021828
"436483"	1666.920223	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+NH4"	18.033823
"788730"	2491.363423	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+NH4"	18.033823
"1683968"	842.477023	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+NH4"	18.033823
"332246"	833.9637495	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+H+NH4"	19.041099
"729042"	1246.1853495	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+H+NH4"	19.041099
"1488327"	421.7421495	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H+NH4"	19.041099
"397532"	1671.875618	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+Na"	22.989218
"757067"	2496.318818	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+Na"	22.989218
"1607717"	847.432418	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Na"	22.989218
"316660"	836.441447	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+H+Na"	23.996494
"708226"	1248.663047	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+H+Na"	23.996494
"1463263"	424.219847	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H+Na"	23.996494
"1054200"	283.14899	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2H+Na"	25.00377
"1258556"	857.476686	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+CH3OH+H"	33.033486
"391362"	1687.849558	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+K"	38.963158
"751989"	2512.292758	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+K"	38.963158
"1554660"	863.406358	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+K"	38.963158
"313290"	844.428417	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+H+K"	39.970434
"699632"	1256.650017	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+H+K"	39.970434
"1454543"	432.206817	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H+K"	39.970434
"240955"	1690.920226	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+ACN+H"	42.033826
"1213663"	866.477026	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+ACN+H"	42.033826
"1207032"	433.742151	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+ACN+2H"	43.041102
"196984"	1693.85756	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+2Na-H"	44.97116
"639464"	2518.30076	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+2Na-H"	44.97116
"1140051"	869.41436	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2Na-H"	44.97116
"182249"	847.432418	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+2Na"	45.978436
"619256"	1259.654018	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+2Na"	45.978436
"1124584"	435.210818	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2Na"	45.978436
"1408837"	290.476304	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H+2Na"	46.985712
"1440953"	871.455946	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H+HCOOH"	47.012746
"221903"	852.46544	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+3H2O+2H"	56.04448
"1511058"	885.50799	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+IsoProp+H"	61.06479
"414029"	855.419388	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+Na+K"	61.952376
"778309"	1267.640988	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+Na+K"	61.952376
"1679991"	443.197788	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Na+K"	61.952376
"264088"	1712.902168	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+ACN+Na"	64.015768
"1238616"	888.458968	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+ACN+Na"	64.015768
"1725315"	888.482493	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+NH4+HCOOH"	64.039293
"1192130"	297.803618	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+3Na"	68.967654
"1662019"	893.437888	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Na+HCOOH"	68.994688
"170703"	1725.80544	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+2K-H"	76.91904
"610994"	2550.24864	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+2K-H"	76.91904
"1097937"	901.36224	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2K-H"	76.91904
"154142"	863.406358	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"2M+2K"	77.926316
"593702"	1275.627958	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"3M+2K"	77.926316
"1080766"	451.184758	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2K"	77.926316
"1107411"	903.376792	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2K+H"	78.933592
"1345983"	903.464407	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+DMSO+H"	79.021207
"1015607"	907.503576	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2ACN+H"	83.060376
"1534826"	908.497208	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+IsoProp+Na+H"	84.054008
"1001272"	454.255426	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+2ACN+2H"	84.067652
"1596870"	909.411828	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+K+HCOOH"	84.968628
"1424722"	939.443338	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+H+CF3COOH"	115.000138
"1149541"	474.768701	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+3ACN+2H"	125.094202
"1700183"	956.469885	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+NH4+CF3COOH"	132.026685
"1635107"	961.42528	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+Na+CF3COOH"	136.98208
"1571531"	977.39922	"C15713"	"Nodularin"	"C41H60N8O10"	"824.4432"	"M+K+CF3COOH"	152.95602
"809515"	722.4003	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M"	0
"980861"	703.38191	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-H2O-H"	-19.01839
"68010"	480.592924	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M-3H"	-3.021828
"513040"	721.393024	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M-3H"	-3.021828
"890843"	239.792824	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-3H"	-3.021828
"11605"	721.393024	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M-2H"	-2.014552
"448980"	1082.593174	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M-2H"	-2.014552
"826781"	360.192874	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-2H"	-2.014552
"85680"	1443.793324	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M-H"	-1.007276
"526333"	2166.193624	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M-H"	-1.007276
"897573"	721.393024	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-H"	-1.007276
"53044"	1460.819871	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M-2H+NH4"	16.019271
"491510"	2183.220171	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M-2H+NH4"	16.019271
"868220"	738.419571	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-2H+NH4"	16.019271
"40493"	1465.775266	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M-2H+Na"	20.974666
"481880"	2188.175566	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M-2H+Na"	20.974666
"858955"	743.374966	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-2H+Na"	20.974666
"1629583"	743.374966	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Na-2H"	20.974666
"108666"	739.381363	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M-H+Cl"	33.962126
"547858"	1100.581513	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M-H+Cl"	33.962126
"940280"	378.181213	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-H+Cl"	33.962126
"279930"	1479.770002	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+Cl"	34.969402
"675398"	2202.170302	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+Cl"	34.969402
"1288043"	757.369702	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Cl"	34.969402
"26219"	1481.749206	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M-2H+K"	36.948606
"469062"	2204.149506	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M-2H+K"	36.948606
"843582"	759.348906	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-2H+K"	36.948606
"1564883"	759.348906	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+K-2H"	36.948606
"950580"	767.398494	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-H+HCOOH"	44.998194
"367703"	1489.798801	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+HCOOH-H"	44.998201
"350494"	1503.814451	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+Hac-H"	59.013851
"1500419"	781.414151	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Hac-H"	59.013851
"967963"	789.380451	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-H+NaCOOH"	66.980151
"115778"	757.369702	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+2Cl"	69.938804
"558618"	1118.569852	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+2Cl"	69.938804
"1026317"	396.169552	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2Cl"	69.938804
"1250276"	801.319185	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Br"	78.918885
"1314912"	803.375172	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Cl+HCOOH"	80.974872
"1324023"	825.357129	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Cl+NaCOOH"	102.956829
"920185"	835.385886	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M-H+CF3COOH"	112.985586
"1295801"	871.362564	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Cl+CF3COOH"	148.962264
"1372876"	687.387624	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H-2H2O"	-35.012676
"1391465"	705.3976	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H-H2O"	-17.0027
"293339"	1445.807876	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+H"	1.007276
"682478"	2168.208176	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+H"	1.007276
"1363206"	723.407576	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H"	1.007276
"135002"	723.407576	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+2H"	2.014552
"577841"	1084.607726	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+2H"	2.014552
"1052519"	362.207426	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2H"	2.014552
"217822"	482.607476	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+3H"	3.021828
"655194"	723.407576	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+3H"	3.021828
"1174412"	241.807376	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+3H"	3.021828
"437686"	1462.834423	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+NH4"	18.033823
"792123"	2185.234723	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+NH4"	18.033823
"1685537"	740.434123	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+NH4"	18.033823
"336731"	731.9208495	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+H+NH4"	19.041099
"730245"	1093.1209995	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+H+NH4"	19.041099
"1486250"	370.7206995	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H+NH4"	19.041099
"397278"	1467.789818	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+Na"	22.989218
"757177"	2190.190118	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+Na"	22.989218
"1608191"	745.389518	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Na"	22.989218
"316406"	734.398547	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+H+Na"	23.996494
"709188"	1095.598697	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+H+Na"	23.996494
"1462887"	373.198397	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H+Na"	23.996494
"1055161"	249.13469	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2H+Na"	25.00377
"1257689"	755.433786	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+CH3OH+H"	33.033486
"390744"	1483.763758	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+K"	38.963158
"753192"	2206.164058	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+K"	38.963158
"1554287"	761.363458	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+K"	38.963158
"313035"	742.385517	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+H+K"	39.970434
"703022"	1103.585667	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+H+K"	39.970434
"1454653"	381.185367	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H+K"	39.970434
"242158"	1486.834426	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+ACN+H"	42.033826
"1213043"	764.434126	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+ACN+H"	42.033826
"1206778"	382.720701	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+ACN+2H"	43.041102
"197094"	1489.77176	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+2Na-H"	44.97116
"639939"	2212.17206	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+2Na-H"	44.97116
"1141254"	767.37146	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2Na-H"	44.97116
"182360"	745.389518	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+2Na"	45.978436
"624108"	1106.589668	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+2Na"	45.978436
"1126521"	384.189368	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2Na"	45.978436
"1406761"	256.462004	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H+2Na"	46.985712
"1436690"	769.413046	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H+HCOOH"	47.012746
"227483"	750.42254	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+3H2O+2H"	56.04448
"1514452"	783.46509	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+IsoProp+H"	61.06479
"419608"	753.376488	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+Na+K"	61.952376
"780607"	1114.576638	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+Na+K"	61.952376
"1680468"	392.176338	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Na+K"	61.952376
"264925"	1508.816368	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+ACN+Na"	64.015768
"1237269"	786.416068	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+ACN+Na"	64.015768
"1725064"	786.439593	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+NH4+HCOOH"	64.039293
"1191872"	263.789318	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+3Na"	68.967654
"1664196"	791.394988	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Na+HCOOH"	68.994688
"171423"	1521.71964	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+2K-H"	76.91904
"611831"	2244.11994	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+2K-H"	76.91904
"1098528"	799.31934	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2K-H"	76.91904
"155710"	761.363458	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"2M+2K"	77.926316
"593812"	1122.563608	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"3M+2K"	77.926316
"1080873"	400.163308	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2K"	77.926316
"1111169"	801.333892	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2K+H"	78.933592
"1346095"	801.421507	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+DMSO+H"	79.021207
"1014624"	805.460676	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2ACN+H"	83.060376
"1534936"	806.454308	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+IsoProp+Na+H"	84.054008
"999196"	403.233976	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+2ACN+2H"	84.067652
"1594794"	807.368928	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+K+HCOOH"	84.968628
"1414375"	837.400438	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+H+CF3COOH"	115.000138
"1148558"	423.747251	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+3ACN+2H"	125.094202
"1702485"	854.426985	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+NH4+CF3COOH"	132.026685
"1634973"	859.38238	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+Na+CF3COOH"	136.98208
"1571601"	875.35632	"C15714"	"Myxochromide S1"	"C38H54N6O8"	"722.4003"	"M+K+CF3COOH"	152.95602
"811813"	736.416	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M"	0
"977690"	717.39761	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-H2O-H"	-19.01839
"68120"	489.936724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M-3H"	-3.021828
"509870"	735.408724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M-3H"	-3.021828
"887672"	244.464724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-3H"	-3.021828
"11351"	735.408724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M-2H"	-2.014552
"451642"	1103.616724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M-2H"	-2.014552
"826891"	367.200724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-2H"	-2.014552
"91624"	1471.824724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M-H"	-1.007276
"528631"	2208.240724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M-H"	-1.007276
"900965"	735.408724	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-H"	-1.007276
"49995"	1488.851271	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M-2H+NH4"	16.019271
"490527"	2225.267271	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M-2H+NH4"	16.019271
"871610"	752.435271	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-2H+NH4"	16.019271
"40603"	1493.806666	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M-2H+Na"	20.974666
"484177"	2230.222666	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M-2H+Na"	20.974666
"861253"	757.390666	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-2H+Na"	20.974666
"1632731"	757.390666	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Na-2H"	20.974666
"108775"	753.397063	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M-H+Cl"	33.962126
"548941"	1121.605063	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M-H+Cl"	33.962126
"940389"	385.189063	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-H+Cl"	33.962126
"281619"	1507.801402	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+Cl"	34.969402
"674282"	2244.217402	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+Cl"	34.969402
"1287779"	771.385402	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Cl"	34.969402
"29608"	1509.780606	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M-2H+K"	36.948606
"463705"	2246.196606	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M-2H+K"	36.948606
"837131"	773.364606	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-2H+K"	36.948606
"1558795"	773.364606	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+K-2H"	36.948606
"948504"	781.414194	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-H+HCOOH"	44.998194
"367814"	1517.830201	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+HCOOH-H"	44.998201
"350605"	1531.845851	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+Hac-H"	59.013851
"1498343"	795.429851	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Hac-H"	59.013851
"968073"	803.396151	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-H+NaCOOH"	66.980151
"115888"	771.385402	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+2Cl"	69.938804
"556542"	1139.593402	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+2Cl"	69.938804
"1022302"	403.177402	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2Cl"	69.938804
"1250388"	815.334885	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Br"	78.918885
"1312836"	817.390872	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Cl+HCOOH"	80.974872
"1325956"	839.372829	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Cl+NaCOOH"	102.956829
"920295"	849.401586	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M-H+CF3COOH"	112.985586
"1292631"	885.378264	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Cl+CF3COOH"	148.962264
"1374079"	701.403324	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H-2H2O"	-35.012676
"1392668"	719.4133	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H-H2O"	-17.0027
"292356"	1473.839276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+H"	1.007276
"682589"	2210.255276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+H"	1.007276
"1362223"	737.423276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H"	1.007276
"134019"	737.423276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+2H"	2.014552
"577951"	1105.631276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+2H"	2.014552
"1051977"	369.215276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2H"	2.014552
"217932"	491.951276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+3H"	3.021828
"655304"	737.423276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+3H"	3.021828
"1173429"	246.479276	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+3H"	3.021828
"433422"	1490.865823	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+NH4"	18.033823
"798789"	2227.281823	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+NH4"	18.033823
"1686376"	754.449823	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+NH4"	18.033823
"336841"	745.9365495	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+H+NH4"	19.041099
"730355"	1114.1445495	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+H+NH4"	19.041099
"1485267"	377.7285495	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H+NH4"	19.041099
"394104"	1495.821218	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+Na"	22.989218
"756558"	2232.237218	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+Na"	22.989218
"1607573"	759.405218	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Na"	22.989218
"319798"	748.414247	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+H+Na"	23.996494
"709665"	1116.622247	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+H+Na"	23.996494
"1463851"	380.206247	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H+Na"	23.996494
"1055273"	253.80659	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2H+Na"	25.00377
"1259501"	769.449486	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+CH3OH+H"	33.033486
"388297"	1511.795158	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+K"	38.963158
"751481"	2248.211158	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+K"	38.963158
"1554279"	775.379158	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+K"	38.963158
"313961"	756.401217	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+H+K"	39.970434
"703862"	1124.609217	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+H+K"	39.970434
"1454766"	388.193217	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H+K"	39.970434
"244461"	1514.865826	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+ACN+H"	42.033826
"1219354"	778.449826	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+ACN+H"	42.033826
"1208469"	389.728551	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+ACN+2H"	43.041102
"200854"	1517.80316	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+2Na-H"	44.97116
"639685"	2254.21916	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+2Na-H"	44.97116
"1143191"	781.38716	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2Na-H"	44.97116
"183565"	759.405218	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+2Na"	45.978436
"617659"	1127.613218	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+2Na"	45.978436
"1126267"	391.197218	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2Na"	45.978436
"1409791"	261.133904	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H+2Na"	46.985712
"1444216"	783.428746	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H+HCOOH"	47.012746
"228687"	764.43824	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+3H2O+2H"	56.04448
"1517842"	797.48079	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+IsoProp+H"	61.06479
"418625"	767.392188	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+Na+K"	61.952376
"779624"	1135.600188	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+Na+K"	61.952376
"1679969"	399.184188	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Na+K"	61.952376
"264306"	1536.847768	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+ACN+Na"	64.015768
"1238108"	800.431768	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+ACN+Na"	64.015768
"1725539"	800.455293	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+NH4+HCOOH"	64.039293
"1191253"	268.461218	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+3Na"	68.967654
"1662604"	805.410688	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Na+HCOOH"	68.994688
"169832"	1549.75104	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+2K-H"	76.91904
"609758"	2286.16704	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+2K-H"	76.91904
"1097911"	813.33504	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2K-H"	76.91904
"153997"	775.379158	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"2M+2K"	77.926316
"595382"	1143.587158	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"3M+2K"	77.926316
"1081716"	407.171158	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2K"	77.926316
"1112740"	815.349592	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2K+H"	78.933592
"1346573"	815.437207	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+DMSO+H"	79.021207
"1015829"	819.476376	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2ACN+H"	83.060376
"1533952"	820.470008	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+IsoProp+Na+H"	84.054008
"993840"	410.241826	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+2ACN+2H"	84.067652
"1589436"	821.384628	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+K+HCOOH"	84.968628
"1414269"	851.416138	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+H+CF3COOH"	115.000138
"1149760"	430.755101	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+3ACN+2H"	125.094202
"1701499"	868.442685	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+NH4+CF3COOH"	132.026685
"1635325"	873.39808	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+Na+CF3COOH"	136.98208
"1571381"	889.37202	"C15715"	"Myxochromide S2"	"C39H56N6O8"	"736.416"	"M+K+CF3COOH"	152.95602
"803173"	748.416	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M"	0
"977800"	729.39761	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-H2O-H"	-19.01839
"66042"	497.936724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M-3H"	-3.021828
"505603"	747.408724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M-3H"	-3.021828
"883406"	248.464724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-3H"	-3.021828
"5264"	747.408724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M-2H"	-2.014552
"445918"	1121.616724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M-2H"	-2.014552
"827001"	373.200724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-2H"	-2.014552
"85899"	1495.824724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M-H"	-1.007276
"526553"	2244.240724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M-H"	-1.007276
"903262"	747.408724	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-H"	-1.007276
"51077"	1512.851271	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M-2H+NH4"	16.019271
"489543"	2261.267271	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M-2H+NH4"	16.019271
"872813"	764.435271	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-2H+NH4"	16.019271
"40713"	1517.806666	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M-2H+Na"	20.974666
"486109"	2266.222666	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M-2H+Na"	20.974666
"861362"	769.390666	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-2H+Na"	20.974666
"1632962"	769.390666	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Na-2H"	20.974666
"107425"	765.397063	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M-H+Cl"	33.962126
"548079"	1139.605063	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M-H+Cl"	33.962126
"941956"	391.189063	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-H+Cl"	33.962126
"276867"	1531.801402	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+Cl"	34.969402
"675369"	2280.217402	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+Cl"	34.969402
"1282786"	783.385402	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Cl"	34.969402
"29719"	1533.780606	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M-2H+K"	36.948606
"464908"	2282.196606	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M-2H+K"	36.948606
"840524"	785.364606	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-2H+K"	36.948606
"1558905"	785.364606	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+K-2H"	36.948606
"949707"	793.414194	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-H+HCOOH"	44.998194
"369018"	1541.830201	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+HCOOH-H"	44.998201
"350716"	1555.845851	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+Hac-H"	59.013851
"1498453"	807.429851	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Hac-H"	59.013851
"965997"	815.396151	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-H+NaCOOH"	66.980151
"114904"	783.385402	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+2Cl"	69.938804
"558838"	1157.593402	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+2Cl"	69.938804
"1022775"	409.177402	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2Cl"	69.938804
"1250498"	827.334885	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Br"	78.918885
"1315132"	829.390872	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Cl+HCOOH"	80.974872
"1326066"	851.372829	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Cl+NaCOOH"	102.956829
"923321"	861.401586	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M-H+CF3COOH"	112.985586
"1292741"	897.378264	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Cl+CF3COOH"	148.962264
"1374185"	713.403324	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H-2H2O"	-35.012676
"1394965"	731.4133	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H-H2O"	-17.0027
"291370"	1497.839276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+H"	1.007276
"688164"	2246.255276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+H"	1.007276
"1356865"	749.423276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H"	1.007276
"136314"	749.423276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+2H"	2.014552
"578062"	1123.631276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+2H"	2.014552
"1049051"	375.215276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2H"	2.014552
"215492"	499.951276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+3H"	3.021828
"657601"	749.423276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+3H"	3.021828
"1173542"	250.479276	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+3H"	3.021828
"433532"	1514.865823	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+NH4"	18.033823
"795619"	2263.281823	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+NH4"	18.033823
"1687577"	766.449823	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+NH4"	18.033823
"336951"	757.9365495	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+H+NH4"	19.041099
"728278"	1132.1445495	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+H+NH4"	19.041099
"1478815"	383.7285495	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H+NH4"	19.041099
"396038"	1519.821218	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+Na"	22.989218
"757762"	2268.237218	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+Na"	22.989218
"1604764"	771.405218	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Na"	22.989218
"319908"	760.414247	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+H+Na"	23.996494
"709776"	1134.622247	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+H+Na"	23.996494
"1463595"	386.206247	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H+Na"	23.996494
"1055382"	257.80659	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2H+Na"	25.00377
"1258154"	781.449486	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+CH3OH+H"	33.033486
"387315"	1535.795158	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+K"	38.963158
"751591"	2284.211158	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+K"	38.963158
"1555420"	787.379158	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+K"	38.963158
"311552"	768.401217	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+H+K"	39.970434
"702149"	1142.609217	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+H+K"	39.970434
"1451594"	394.193217	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H+K"	39.970434
"244571"	1538.865826	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+ACN+H"	42.033826
"1221651"	790.449826	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+ACN+H"	42.033826
"1206635"	395.728551	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+ACN+2H"	43.041102
"200600"	1541.80316	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+2Na-H"	44.97116
"639431"	2290.21916	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+2Na-H"	44.97116
"1142574"	793.38716	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2Na-H"	44.97116
"182582"	771.405218	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+2Na"	45.978436
"622142"	1145.613218	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+2Na"	45.978436
"1124554"	397.197218	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2Na"	45.978436
"1409171"	265.133904	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H+2Na"	46.985712
"1443474"	795.428746	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H+HCOOH"	47.012746
"225515"	776.43824	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+3H2O+2H"	56.04448
"1517588"	809.48079	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+IsoProp+H"	61.06479
"418735"	779.392188	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+Na+K"	61.952376
"777545"	1153.600188	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+Na+K"	61.952376
"1680685"	405.184188	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Na+K"	61.952376
"265508"	1560.847768	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+ACN+Na"	64.015768
"1238946"	812.431768	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+ACN+Na"	64.015768
"1726012"	812.455293	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+NH4+HCOOH"	64.039293
"1191363"	272.461218	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+3Na"	68.967654
"1661985"	817.410688	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Na+HCOOH"	68.994688
"168115"	1573.75104	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+2K-H"	76.91904
"607311"	2322.16704	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+2K-H"	76.91904
"1098750"	825.33504	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2K-H"	76.91904
"153014"	787.379158	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"2M+2K"	77.926316
"592209"	1161.587158	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"3M+2K"	77.926316
"1080733"	413.171158	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2K"	77.926316
"1113944"	827.349592	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2K+H"	78.933592
"1349234"	827.437207	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+DMSO+H"	79.021207
"1017032"	831.476376	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2ACN+H"	83.060376
"1534063"	832.470008	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+IsoProp+Na+H"	84.054008
"996137"	416.241826	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+2ACN+2H"	84.067652
"1595013"	833.384628	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+K+HCOOH"	84.968628
"1416301"	863.416138	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+H+CF3COOH"	115.000138
"1150964"	436.755101	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+3ACN+2H"	125.094202
"1698692"	880.442685	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+NH4+CF3COOH"	132.026685
"1637257"	885.39808	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+Na+CF3COOH"	136.98208
"1571574"	901.37202	"C15716"	"Myxochromide S3"	"C40H56N6O8"	"748.416"	"M+K+CF3COOH"	152.95602
"804011"	1296.7495	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M"	0
"975720"	1277.73111	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-H2O-H"	-19.01839
"64326"	863.492390666667	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M-3H"	-3.021828
"504981"	1295.742224	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M-3H"	-3.021828
"882422"	431.242557333333	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-3H"	-3.021828
"7560"	1295.742224	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M-2H"	-2.014552
"443113"	1944.116974	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M-2H"	-2.014552
"823831"	647.367474	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-2H"	-2.014552
"86009"	2592.491724	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M-H"	-1.007276
"529944"	3889.241224	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M-H"	-1.007276
"901549"	1295.742224	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-H"	-1.007276
"54467"	2609.518271	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M-2H+NH4"	16.019271
"491840"	3906.267771	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M-2H+NH4"	16.019271
"876934"	1312.768771	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-2H+NH4"	16.019271
"44836"	2614.473666	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M-2H+Na"	20.974666
"486952"	3911.223166	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M-2H+Na"	20.974666
"861473"	1317.724166	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-2H+Na"	20.974666
"1631007"	1317.724166	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Na-2H"	20.974666
"109280"	1313.730563	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M-H+Cl"	33.962126
"544908"	1962.105313	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M-H+Cl"	33.962126
"937329"	665.355813	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-H+Cl"	33.962126
"274792"	2628.468402	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+Cl"	34.969402
"671587"	3925.217902	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+Cl"	34.969402
"1287030"	1331.718902	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Cl"	34.969402
"26548"	2630.447606	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M-2H+K"	36.948606
"468297"	3927.197106	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M-2H+K"	36.948606
"846100"	1333.698106	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-2H+K"	36.948606
"1567399"	1333.698106	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+K-2H"	36.948606
"952004"	1341.747694	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-H+HCOOH"	44.998194
"370219"	2638.497201	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+HCOOH-H"	44.998201
"349733"	2652.512851	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+Hac-H"	59.013851
"1497470"	1355.763351	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Hac-H"	59.013851
"966106"	1363.729651	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-H+NaCOOH"	66.980151
"121573"	1331.718902	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+2Cl"	69.938804
"557855"	1980.093652	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+2Cl"	69.938804
"1024467"	683.344152	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2Cl"	69.938804
"1249515"	1375.668385	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Br"	78.918885
"1313056"	1377.724372	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Cl+HCOOH"	80.974872
"1326176"	1399.706329	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Cl+NaCOOH"	102.956829
"920516"	1409.735086	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M-H+CF3COOH"	112.985586
"1292851"	1445.711764	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Cl+CF3COOH"	148.962264
"1374295"	1261.736824	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H-2H2O"	-35.012676
"1396170"	1279.7468	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H-H2O"	-17.0027
"291480"	2594.506276	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+H"	1.007276
"688274"	3891.255776	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+H"	1.007276
"1365722"	1297.756776	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H"	1.007276
"136424"	1297.756776	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+2H"	2.014552
"580359"	1946.131526	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+2H"	2.014552
"1050252"	649.382026	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2H"	2.014552
"215966"	865.506942666667	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+3H"	3.021828
"655525"	1297.756776	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+3H"	3.021828
"1173652"	433.257109333333	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+3H"	3.021828
"431455"	2611.532823	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+NH4"	18.033823
"792449"	3908.282323	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+NH4"	18.033823
"1687685"	1314.783323	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+NH4"	18.033823
"334142"	1306.2700495	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+H+NH4"	19.041099
"724741"	1954.6447995	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+H+NH4"	19.041099
"1477298"	657.8952995	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H+NH4"	19.041099
"394688"	2616.488218	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+Na"	22.989218
"754710"	3913.237718	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+Na"	22.989218
"1604509"	1319.738718	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Na"	22.989218
"320018"	1308.747747	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+H+Na"	23.996494
"709520"	1957.122497	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+H+Na"	23.996494
"1462974"	660.372997	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H+Na"	23.996494
"1053306"	440.584423333333	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2H+Na"	25.00377
"1257534"	1329.782986	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+CH3OH+H"	33.033486
"387425"	2632.462158	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+K"	38.963158
"752067"	3929.211658	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+K"	38.963158
"1555526"	1335.712658	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+K"	38.963158
"311298"	1316.734717	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+H+K"	39.970434
"702259"	1965.109467	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+H+K"	39.970434
"1450611"	668.359967	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H+K"	39.970434
"244680"	2635.532826	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+ACN+H"	42.033826
"1217388"	1338.783326	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+ACN+H"	42.033826
"1206013"	669.895301	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+ACN+2H"	43.041102
"199981"	2638.47016	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+2Na-H"	44.97116
"640268"	3935.21966	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+2Na-H"	44.97116
"1143777"	1341.72066	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2Na-H"	44.97116
"179412"	1319.738718	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+2Na"	45.978436
"616419"	1968.113468	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+2Na"	45.978436
"1121384"	671.363968	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2Na"	45.978436
"1409281"	447.911737333333	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H+2Na"	46.985712
"1444314"	1343.762246	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H+HCOOH"	47.012746
"226718"	1324.77174	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+3H2O+2H"	56.04448
"1519155"	1357.81429	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+IsoProp+H"	61.06479
"419574"	1327.725688	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+Na+K"	61.952376
"778749"	1976.100438	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+Na+K"	61.952376
"1679098"	679.350938	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Na+K"	61.952376
"264889"	2657.514768	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+ACN+Na"	64.015768
"1240148"	1360.765268	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+ACN+Na"	64.015768
"1727702"	1360.788793	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+NH4+HCOOH"	64.039293
"1193665"	455.239051333333	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+3Na"	68.967654
"1663918"	1365.744188	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Na+HCOOH"	68.994688
"168954"	2670.41804	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+2K-H"	76.91904
"609243"	3967.16754	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+2K-H"	76.91904
"1099224"	1373.66854	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2K-H"	76.91904
"154217"	1335.712658	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"2M+2K"	77.926316
"593048"	1984.087408	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"3M+2K"	77.926316
"1081937"	687.337908	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2K"	77.926316
"1113689"	1375.683092	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2K+H"	78.933592
"1348615"	1375.770707	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+DMSO+H"	79.021207
"1014956"	1379.809876	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2ACN+H"	83.060376
"1535267"	1380.803508	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+IsoProp+Na+H"	84.054008
"997341"	690.408576	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+2ACN+2H"	84.067652
"1594030"	1381.718128	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+K+HCOOH"	84.968628
"1417505"	1411.749638	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+H+CF3COOH"	115.000138
"1149253"	710.921851	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+3ACN+2H"	125.094202
"1707187"	1428.776185	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+NH4+CF3COOH"	132.026685
"1636275"	1433.73158	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+Na+CF3COOH"	136.98208
"1571683"	1449.70552	"C15717"	"ECO 02301"	"C70H108N2O20"	"1296.7495"	"M+K+CF3COOH"	152.95602
"803393"	1333.5899	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M"	0
"975101"	1314.57151	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-H2O-H"	-19.01839
"64073"	888.052657333333	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M-3H"	-3.021828
"506916"	1332.582624	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M-3H"	-3.021828
"884721"	443.522690666667	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-3H"	-3.021828
"5485"	1332.582624	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M-2H"	-2.014552
"447233"	1999.377574	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M-2H"	-2.014552
"825035"	665.787674	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-2H"	-2.014552
"89037"	2666.172524	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M-H"	-1.007276
"526774"	3999.762424	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M-H"	-1.007276
"901295"	1332.582624	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-H"	-1.007276
"53484"	2683.199071	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M-2H+NH4"	16.019271
"491950"	4016.788971	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M-2H+NH4"	16.019271
"877410"	1349.609171	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-2H+NH4"	16.019271
"45310"	2688.154466	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M-2H+Na"	20.974666
"480497"	4021.744366	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M-2H+Na"	20.974666
"862679"	1354.564566	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-2H+Na"	20.974666
"1631483"	1354.564566	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Na-2H"	20.974666
"108622"	1350.570963	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M-H+Cl"	33.962126
"547936"	2017.365913	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M-H+Cl"	33.962126
"937439"	683.776013	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-H+Cl"	33.962126
"280008"	2702.149202	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+Cl"	34.969402
"672794"	4035.739102	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+Cl"	34.969402
"1283012"	1368.559302	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Cl"	34.969402
"25565"	2704.128406	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M-2H+K"	36.948606
"464036"	4037.718306	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M-2H+K"	36.948606
"837463"	1370.538506	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-2H+K"	36.948606
"1562045"	1370.538506	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+K-2H"	36.948606
"952114"	1378.588094	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-H+HCOOH"	44.998194
"370329"	2712.178001	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+HCOOH-H"	44.998201
"353123"	2726.193651	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+Hac-H"	59.013851
"1499766"	1392.603751	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Hac-H"	59.013851
"966216"	1400.570051	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-H+NaCOOH"	66.980151
"121319"	1368.559302	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+2Cl"	69.938804
"559058"	2035.354252	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+2Cl"	69.938804
"1027855"	701.764352	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2Cl"	69.938804
"1252905"	1412.508785	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Br"	78.918885
"1312073"	1414.564772	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Cl+HCOOH"	80.974872
"1324099"	1436.546729	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Cl+NaCOOH"	102.956829
"919532"	1446.575486	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M-H+CF3COOH"	112.985586
"1292961"	1482.552164	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Cl+CF3COOH"	148.962264
"1376595"	1298.577224	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H-2H2O"	-35.012676
"1392998"	1316.5872	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H-H2O"	-17.0027
"291590"	2668.187076	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+H"	1.007276
"687291"	4001.776976	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+H"	1.007276
"1361459"	1334.597176	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H"	1.007276
"136534"	1334.597176	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+2H"	2.014552
"577190"	2001.392126	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+2H"	2.014552
"1047081"	667.802226	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2H"	2.014552
"216076"	890.067209333333	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+3H"	3.021828
"655635"	1334.597176	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+3H"	3.021828
"1173762"	445.537242666667	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+3H"	3.021828
"431565"	2685.213623	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+NH4"	18.033823
"792559"	4018.803523	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+NH4"	18.033823
"1686701"	1351.623723	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+NH4"	18.033823
"330968"	1343.1104495	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+H+NH4"	19.041099
"723875"	2009.9053995	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+H+NH4"	19.041099
"1477816"	676.3154995	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H+NH4"	19.041099
"394434"	2690.169018	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+Na"	22.989218
"754820"	4023.758918	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+Na"	22.989218
"1604254"	1356.579118	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Na"	22.989218
"316480"	1345.588147	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+H+Na"	23.996494
"708537"	2012.383097	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+H+Na"	23.996494
"1464177"	678.793197	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H+Na"	23.996494
"1056333"	452.864556666667	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2H+Na"	25.00377
"1258009"	1366.623386	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+CH3OH+H"	33.033486
"387535"	2706.142958	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+K"	38.963158
"751813"	4039.732858	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+K"	38.963158
"1555168"	1372.553058	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+K"	38.963158
"311043"	1353.575117	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+H+K"	39.970434
"702005"	2020.370067	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+H+K"	39.970434
"1450721"	686.780167	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H+K"	39.970434
"242604"	2709.213626	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+ACN+H"	42.033826
"1218591"	1375.623726	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+ACN+H"	42.033826
"1206488"	688.315501	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+ACN+2H"	43.041102
"201913"	2712.15096	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+2Na-H"	44.97116
"640743"	4045.74086	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+2Na-H"	44.97116
"1143887"	1378.56106	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2Na-H"	44.97116
"180615"	1356.579118	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+2Na"	45.978436
"619083"	2023.374068	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+2Na"	45.978436
"1122588"	689.784168	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2Na"	45.978436
"1403925"	460.191870666667	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H+2Na"	46.985712
"1443695"	1380.602646	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H+HCOOH"	47.012746
"226828"	1361.61214	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+3H2O+2H"	56.04448
"1517078"	1394.65469	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+IsoProp+H"	61.06479
"416768"	1364.566088	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+Na+K"	61.952376
"779953"	2031.361038	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+Na+K"	61.952376
"1680865"	697.771138	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Na+K"	61.952376
"263907"	2731.195568	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+ACN+Na"	64.015768
"1239534"	1397.605668	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+ACN+Na"	64.015768
"1727934"	1397.629193	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+NH4+HCOOH"	64.039293
"1192316"	467.519184666667	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+3Na"	68.967654
"1664028"	1402.584588	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Na+HCOOH"	68.994688
"170160"	2744.09884	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+2K-H"	76.91904
"610817"	4077.68874	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+2K-H"	76.91904
"1098851"	1410.50894	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2K-H"	76.91904
"156156"	1372.553058	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"2M+2K"	77.926316
"596079"	2039.348008	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"3M+2K"	77.926316
"1082413"	705.758108	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2K"	77.926316
"1112706"	1412.523492	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2K+H"	78.933592
"1346539"	1412.611107	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+DMSO+H"	79.021207
"1015796"	1416.650276	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2ACN+H"	83.060376
"1529910"	1417.643908	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+IsoProp+Na+H"	84.054008
"999638"	708.828776	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+2ACN+2H"	84.067652
"1598514"	1418.558528	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+K+HCOOH"	84.968628
"1419801"	1448.590038	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+H+CF3COOH"	115.000138
"1150093"	729.342051	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+3ACN+2H"	125.094202
"1707297"	1465.616585	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+NH4+CF3COOH"	132.026685
"1636385"	1470.57198	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+Na+CF3COOH"	136.98208
"1571795"	1486.54592	"C15718"	"Pyoverdine I"	"C55H83N17O22"	"1333.5899"	"M+K+CF3COOH"	152.95602
"810065"	565.2708	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M"	0
"981410"	546.25241	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-H2O-H"	-19.01839
"67463"	375.839924	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M-3H"	-3.021828
"508121"	564.263524	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M-3H"	-3.021828
"889206"	187.416324	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-3H"	-3.021828
"7781"	564.263524	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M-2H"	-2.014552
"449530"	846.898924	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M-2H"	-2.014552
"827331"	281.628124	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-2H"	-2.014552
"92427"	1129.534324	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M-H"	-1.007276
"529071"	1694.805124	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M-H"	-1.007276
"905779"	564.263524	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-H"	-1.007276
"56510"	1146.560871	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M-2H+NH4"	16.019271
"496433"	1711.831671	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M-2H+NH4"	16.019271
"877278"	581.290071	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-2H+NH4"	16.019271
"44936"	1151.516266	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M-2H+Na"	20.974666
"486076"	1716.787066	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M-2H+Na"	20.974666
"863164"	586.245466	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-2H+Na"	20.974666
"1632931"	586.245466	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Na-2H"	20.974666
"109101"	582.251863	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M-H+Cl"	33.962126
"549143"	864.887263	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M-H+Cl"	33.962126
"939735"	299.616463	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-H+Cl"	33.962126
"278297"	1165.511002	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+Cl"	34.969402
"669626"	1730.781802	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+Cl"	34.969402
"1285309"	600.240202	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Cl"	34.969402
"24585"	1167.490206	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M-2H+K"	36.948606
"467427"	1732.761006	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M-2H+K"	36.948606
"839761"	602.219406	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-2H+K"	36.948606
"1563249"	602.219406	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+K-2H"	36.948606
"948944"	610.268994	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-H+HCOOH"	44.998194
"367159"	1175.539801	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+HCOOH-H"	44.998201
"355419"	1189.555451	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+Hac-H"	59.013851
"1499876"	624.284651	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Hac-H"	59.013851
"969606"	632.250951	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-H+NaCOOH"	66.980151
"121429"	600.240202	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+2Cl"	69.938804
"555886"	882.875602	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+2Cl"	69.938804
"1027965"	317.604802	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2Cl"	69.938804
"1256296"	644.189685	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Br"	78.918885
"1317649"	646.245672	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Cl+HCOOH"	80.974872
"1323116"	668.227629	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Cl+NaCOOH"	102.956829
"920735"	678.256386	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M-H+CF3COOH"	112.985586
"1293071"	714.233064	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Cl+CF3COOH"	148.962264
"1374518"	530.258124	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H-2H2O"	-35.012676
"1394200"	548.2681	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H-H2O"	-17.0027
"294979"	1131.548876	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+H"	1.007276
"686307"	1696.819676	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+H"	1.007276
"1358288"	566.278076	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H"	1.007276
"131175"	566.278076	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+2H"	2.014552
"575112"	848.913476	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+2H"	2.014552
"1047191"	283.642676	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2H"	2.014552
"215091"	377.854476	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+3H"	3.021828
"652464"	566.278076	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+3H"	3.021828
"1170588"	189.430876	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+3H"	3.021828
"431673"	1148.575423	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+NH4"	18.033823
"792669"	1713.846223	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+NH4"	18.033823
"1691185"	583.304623	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+NH4"	18.033823
"337278"	574.7913495	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+H+NH4"	19.041099
"723620"	857.4267495	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+H+NH4"	19.041099
"1477806"	292.1559495	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H+NH4"	19.041099
"394908"	1153.530818	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+Na"	22.989218
"755901"	1718.801618	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+Na"	22.989218
"1605827"	588.260018	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Na"	22.989218
"316590"	577.269047	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+H+Na"	23.996494
"709741"	859.904447	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+H+Na"	23.996494
"1464653"	294.633647	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H+Na"	23.996494
"1055468"	196.75819	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2H+Na"	25.00377
"1259579"	598.304286	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+CH3OH+H"	33.033486
"390195"	1169.504758	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+K"	38.963158
"752286"	1734.775558	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+K"	38.963158
"1555205"	604.233958	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+K"	38.963158
"313466"	585.256017	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+H+K"	39.970434
"702480"	867.891417	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+H+K"	39.970434
"1457394"	302.620617	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H+K"	39.970434
"244901"	1172.575426	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+ACN+H"	42.033826
"1222349"	607.304626	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+ACN+H"	42.033826
"1208914"	304.155951	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+ACN+2H"	43.041102
"202751"	1175.51276	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+2Na-H"	44.97116
"641946"	1740.78356	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+2Na-H"	44.97116
"1145577"	610.24196	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2Na-H"	44.97116
"182915"	588.260018	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+2Na"	45.978436
"624297"	870.895418	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+2Na"	45.978436
"1124886"	305.624618	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2Na"	45.978436
"1407316"	204.085504	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H+2Na"	46.985712
"1439431"	612.283546	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H+HCOOH"	47.012746
"231314"	593.29304	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+3H2O+2H"	56.04448
"1521203"	626.33559	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+IsoProp+H"	61.06479
"419070"	596.246988	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+Na+K"	61.952376
"785138"	878.882388	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+Na+K"	61.952376
"1678955"	313.611588	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Na+K"	61.952376
"265112"	1194.557368	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+ACN+Na"	64.015768
"1239645"	629.286568	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+ACN+Na"	64.015768
"1723792"	629.310093	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+NH4+HCOOH"	64.039293
"1194150"	211.412818	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+3Na"	68.967654
"1661591"	634.265488	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Na+HCOOH"	68.994688
"169180"	1207.46064	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+2K-H"	76.91904
"608011"	1772.73144	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+2K-H"	76.91904
"1093982"	642.18984	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2K-H"	76.91904
"155173"	604.233958	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"2M+2K"	77.926316
"592181"	886.869358	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"3M+2K"	77.926316
"1082649"	321.598558	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2K"	77.926316
"1111359"	644.204392	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2K+H"	78.933592
"1345921"	644.292007	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+DMSO+H"	79.021207
"1014449"	648.331176	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2ACN+H"	83.060376
"1536219"	649.324808	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+IsoProp+Na+H"	84.054008
"1003760"	324.669226	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+2ACN+2H"	84.067652
"1601178"	650.239428	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+K+HCOOH"	84.968628
"1423195"	680.270938	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+H+CF3COOH"	115.000138
"1153483"	345.182501	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+3ACN+2H"	125.094202
"1712512"	697.297485	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+NH4+CF3COOH"	132.026685
"1636499"	702.25288	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+Na+CF3COOH"	136.98208
"1571460"	718.22682	"C15719"	"Coelichelin"	"C21H39N7O11"	"565.2708"	"M+K+CF3COOH"	152.95602
"803613"	437.3042	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M"	0
"974995"	418.28581	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-H2O-H"	-19.01839
"64048"	290.528857333333	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M-3H"	-3.021828
"505310"	436.296924	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M-3H"	-3.021828
"881657"	144.760790666667	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-3H"	-3.021828
"4608"	436.296924	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M-2H"	-2.014552
"447450"	654.949024	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M-2H"	-2.014552
"820879"	217.644824	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-2H"	-2.014552
"80262"	873.601124	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M-H"	-1.007276
"526994"	1310.905324	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M-H"	-1.007276
"903701"	436.296924	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-H"	-1.007276
"52608"	890.627671	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M-2H+NH4"	16.019271
"494356"	1327.931871	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M-2H+NH4"	16.019271
"877509"	453.323471	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-2H+NH4"	16.019271
"45167"	895.583066	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M-2H+Na"	20.974666
"486389"	1332.887266	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M-2H+Na"	20.974666
"863759"	458.278866	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-2H+Na"	20.974666
"1631342"	458.278866	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Na-2H"	20.974666
"108966"	454.285263	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M-H+Cl"	33.962126
"547065"	672.937363	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M-H+Cl"	33.962126
"939845"	235.633163	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-H+Cl"	33.962126
"279500"	909.577802	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+Cl"	34.969402
"670830"	1346.882002	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+Cl"	34.969402
"1285419"	472.273602	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Cl"	34.969402
"26881"	911.557006	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M-2H+K"	36.948606
"469360"	1348.861206	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M-2H+K"	36.948606
"839871"	474.252806	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-2H+K"	36.948606
"1562266"	474.252806	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+K-2H"	36.948606
"952334"	482.302394	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-H+HCOOH"	44.998194
"367269"	919.606601	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+HCOOH-H"	44.998201
"355529"	933.622251	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+Hac-H"	59.013851
"1497799"	496.318051	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Hac-H"	59.013851
"969716"	504.284351	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-H+NaCOOH"	66.980151
"121903"	472.273602	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+2Cl"	69.938804
"555996"	690.925702	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+2Cl"	69.938804
"1028075"	253.621502	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2Cl"	69.938804
"1244374"	516.223085	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Br"	78.918885
"1309009"	518.279072	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Cl+HCOOH"	80.974872
"1323226"	540.261029	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Cl+NaCOOH"	102.956829
"920845"	550.289786	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M-H+CF3COOH"	112.985586
"1293181"	586.266464	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Cl+CF3COOH"	148.962264
"1373534"	402.291524	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H-2H2O"	-35.012676
"1394310"	420.3015	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H-H2O"	-17.0027
"295089"	875.615676	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+H"	1.007276
"688603"	1312.919876	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+H"	1.007276
"1358396"	438.311476	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H"	1.007276
"128368"	438.311476	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+2H"	2.014552
"569749"	656.963576	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+2H"	2.014552
"1044018"	219.659376	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2H"	2.014552
"209001"	292.543409333333	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+3H"	3.021828
"652574"	438.311476	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+3H"	3.021828
"1167052"	146.775342666667	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+3H"	3.021828
"429959"	892.642223	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+NH4"	18.033823
"793873"	1329.946423	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+NH4"	18.033823
"1689108"	455.338023	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+NH4"	18.033823
"331918"	446.8247495	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+H+NH4"	19.041099
"723973"	665.4768495	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+H+NH4"	19.041099
"1478037"	228.1726495	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H+NH4"	19.041099
"395015"	897.597618	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+Na"	22.989218
"761116"	1334.901818	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+Na"	22.989218
"1605568"	460.293418	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Na"	22.989218
"318157"	449.302447	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+H+Na"	23.996494
"709118"	667.954547	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+H+Na"	23.996494
"1465493"	230.650347	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H+Na"	23.996494
"1055458"	154.102656666667	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2H+Na"	25.00377
"1258594"	470.337686	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+CH3OH+H"	33.033486
"387753"	913.571558	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+K"	38.963158
"751668"	1350.875758	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+K"	38.963158
"1555398"	476.267358	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+K"	38.963158
"312358"	457.289417	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+H+K"	39.970434
"700402"	675.941517	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+H+K"	39.970434
"1457504"	238.637317	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H+K"	39.970434
"246105"	916.642226	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+ACN+H"	42.033826
"1219907"	479.338026	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+ACN+H"	42.033826
"1207808"	240.172651	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+ACN+2H"	43.041102
"201766"	919.57956	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+2Na-H"	44.97116
"642299"	1356.88376	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+2Na-H"	44.97116
"1145808"	482.27536	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2Na-H"	44.97116
"183025"	460.293418	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+2Na"	45.978436
"624771"	678.945518	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+2Na"	45.978436
"1124996"	241.641318	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2Na"	45.978436
"1407426"	161.429970666667	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H+2Na"	46.985712
"1439541"	484.316946	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H+HCOOH"	47.012746
"230331"	465.32644	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+3H2O+2H"	56.04448
"1520586"	498.36899	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+IsoProp+H"	61.06479
"419545"	468.280388	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+Na+K"	61.952376
"785534"	686.932488	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+Na+K"	61.952376
"1679797"	249.628288	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Na+K"	61.952376
"265587"	938.624168	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+ACN+Na"	64.015768
"1239390"	501.319968	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+ACN+Na"	64.015768
"1724995"	501.343493	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+NH4+HCOOH"	64.039293
"1193147"	168.757284666667	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+3Na"	68.967654
"1662430"	506.298888	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Na+HCOOH"	68.994688
"169290"	951.52744	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+2K-H"	76.91904
"609942"	1388.83164	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+2K-H"	76.91904
"1096642"	514.22324	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2K-H"	76.91904
"153825"	476.267358	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"2M+2K"	77.926316
"593747"	694.919458	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"3M+2K"	77.926316
"1082268"	257.615258	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2K"	77.926316
"1111469"	516.237792	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2K+H"	78.933592
"1346030"	516.325407	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+DMSO+H"	79.021207
"1016016"	520.364576	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2ACN+H"	83.060376
"1535599"	521.358208	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+IsoProp+Na+H"	84.054008
"1002777"	260.685926	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+2ACN+2H"	84.067652
"1600926"	522.272828	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+K+HCOOH"	84.968628
"1423305"	552.304338	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+H+CF3COOH"	115.000138
"1154686"	281.199201	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+3ACN+2H"	125.094202
"1710798"	569.330885	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+NH4+CF3COOH"	132.026685
"1636609"	574.28628	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+Na+CF3COOH"	136.98208
"1571407"	590.26022	"C15720"	"Lyngbyatoxin;Lyngbyatoxin A"	"C27H39N3O2"	"437.3042"	"M+K+CF3COOH"	152.95602
"813564"	1086.4052	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M"	0
"980537"	1067.38681	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-H2O-H"	-19.01839
"72059"	723.262857333333	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M-3H"	-3.021828
"512711"	1085.397924	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M-3H"	-3.021828
"888329"	361.127790666667	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-3H"	-3.021828
"14559"	1085.397924	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M-2H"	-2.014552
"447562"	1628.600524	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M-2H"	-2.014552
"824270"	542.195324	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-2H"	-2.014552
"80981"	2171.803124	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M-H"	-1.007276
"519082"	3258.208324	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M-H"	-1.007276
"901625"	1085.397924	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-H"	-1.007276
"52718"	2188.829671	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M-2H+NH4"	16.019271
"494466"	3275.234871	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M-2H+NH4"	16.019271
"877376"	1102.424471	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-2H+NH4"	16.019271
"45639"	2193.785066	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M-2H+Na"	20.974666
"486173"	3280.190266	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M-2H+Na"	20.974666
"863632"	1107.379866	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-2H+Na"	20.974666
"1633516"	1107.379866	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Na-2H"	20.974666
"109490"	1103.386263	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M-H+Cl"	33.962126
"549446"	1646.588863	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M-H+Cl"	33.962126
"942389"	560.183663	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-H+Cl"	33.962126
"281314"	2207.779802	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+Cl"	34.969402
"674345"	3294.185002	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+Cl"	34.969402
"1287963"	1121.374602	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Cl"	34.969402
"28084"	2209.759006	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M-2H+K"	36.948606
"469835"	3296.164206	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M-2H+K"	36.948606
"844355"	1123.353806	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-2H+K"	36.948606
"1564563"	1123.353806	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+K-2H"	36.948606
"954267"	1131.403394	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-H+HCOOH"	44.998194
"370660"	2217.808601	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+HCOOH-H"	44.998201
"354546"	2231.824251	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+Hac-H"	59.013851
"1500097"	1145.419051	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Hac-H"	59.013851
"969826"	1153.385351	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-H+NaCOOH"	66.980151
"122013"	1121.374602	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+2Cl"	69.938804
"556106"	1664.577202	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+2Cl"	69.938804
"1031465"	578.172002	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2Cl"	69.938804
"1256920"	1165.324085	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Br"	78.918885
"1314223"	1167.380072	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Cl+HCOOH"	80.974872
"1327710"	1189.362029	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Cl+NaCOOH"	102.956829
"923871"	1199.390786	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M-H+CF3COOH"	112.985586
"1298758"	1235.367464	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Cl+CF3COOH"	148.962264
"1373645"	1051.392524	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H-2H2O"	-35.012676
"1391140"	1069.4025	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H-H2O"	-17.0027
"291919"	2173.817676	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+H"	1.007276
"685433"	3260.222876	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+H"	1.007276
"1356320"	1087.412476	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H"	1.007276
"129570"	1087.412476	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+2H"	2.014552
"567671"	1630.615076	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+2H"	2.014552
"1042304"	544.209876	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2H"	2.014552
"210205"	725.277409333333	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+3H"	3.021828
"651590"	1087.412476	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+3H"	3.021828
"1168255"	363.142342666667	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+3H"	3.021828
"428247"	2190.844223	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+NH4"	18.033823
"790702"	3277.249423	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+NH4"	18.033823
"1684116"	1104.439023	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+NH4"	18.033823
"335312"	1095.9257495	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+H+NH4"	19.041099
"727003"	1639.1283495	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+H+NH4"	19.041099
"1484467"	552.7231495	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H+NH4"	19.041099
"394397"	2195.799618	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+Na"	22.989218
"757581"	3282.204818	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+Na"	22.989218
"1604221"	1109.394418	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Na"	22.989218
"321550"	1098.403447	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+H+Na"	23.996494
"708501"	1641.606047	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+H+Na"	23.996494
"1468885"	555.200847	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H+Na"	23.996494
"1054840"	370.469656666667	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2H+Na"	25.00377
"1259067"	1119.438686	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+CH3OH+H"	33.033486
"382395"	2211.773558	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+K"	38.963158
"745578"	3298.178758	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+K"	38.963158
"1555381"	1125.368358	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+K"	38.963158
"313195"	1106.390417	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+H+K"	39.970434
"698325"	1649.593017	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+H+K"	39.970434
"1458342"	563.187817	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H+K"	39.970434
"246215"	2214.844226	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+ACN+H"	42.033826
"1221110"	1128.439026	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+ACN+H"	42.033826
"1207184"	564.723151	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+ACN+2H"	43.041102
"201146"	2217.78156	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+2Na-H"	44.97116
"637425"	3304.18676	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+2Na-H"	44.97116
"1143122"	1131.37636	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2Na-H"	44.97116
"183134"	1109.394418	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+2Na"	45.978436
"619413"	1652.597018	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+2Na"	45.978436
"1121825"	566.191818	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2Na"	45.978436
"1406442"	377.796970666667	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H+2Na"	46.985712
"1434548"	1133.417946	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H+HCOOH"	47.012746
"227160"	1114.42744	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+3H2O+2H"	56.04448
"1522152"	1147.46999	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+IsoProp+H"	61.06479
"421480"	1117.381388	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+Na+K"	61.952376
"785039"	1660.583988	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+Na+K"	61.952376
"1680638"	574.178788	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Na+K"	61.952376
"266431"	2236.826168	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+ACN+Na"	64.015768
"1240475"	1150.420968	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+ACN+Na"	64.015768
"1727538"	1150.444493	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+NH4+HCOOH"	64.039293
"1193633"	385.124284666667	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+3Na"	68.967654
"1665269"	1155.399888	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Na+HCOOH"	68.994688
"172401"	2249.72944	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+2K-H"	76.91904
"611876"	3336.13464	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+2K-H"	76.91904
"1099064"	1163.32424	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2K-H"	76.91904
"155029"	1125.368358	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"2M+2K"	77.926316
"595925"	1668.570958	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"3M+2K"	77.926316
"1082378"	582.165758	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2K"	77.926316
"1112672"	1165.338792	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2K+H"	78.933592
"1348327"	1165.426407	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+DMSO+H"	79.021207
"1017584"	1169.465576	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2ACN+H"	83.060376
"1535708"	1170.459208	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+IsoProp+Na+H"	84.054008
"1003979"	585.236426	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+2ACN+2H"	84.067652
"1602130"	1171.373828	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+K+HCOOH"	84.968628
"1421228"	1201.405338	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+H+CF3COOH"	115.000138
"1155889"	605.749701	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+3ACN+2H"	125.094202
"1712716"	1218.431885	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+NH4+CF3COOH"	132.026685
"1638905"	1223.38728	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+Na+CF3COOH"	136.98208
"1572005"	1239.36122	"C15721"	"Triostin A"	"C50H62N12O12S2"	"1086.4052"	"M+K+CF3COOH"	152.95602
"803833"	1100.4208	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M"	0
"974446"	1081.40241	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-H2O-H"	-19.01839
"65604"	732.606590666667	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M-3H"	-3.021828
"504072"	1099.413524	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M-3H"	-3.021828
"886252"	365.799657333333	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-3H"	-3.021828
"14669"	1099.413524	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M-2H"	-2.014552
"446578"	1649.623924	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M-2H"	-2.014552
"825473"	549.203124	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-2H"	-2.014552
"82184"	2199.834324	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M-H"	-1.007276
"519922"	3300.255124	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M-H"	-1.007276
"899548"	1099.413524	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-H"	-1.007276
"49548"	2216.860871	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M-2H+NH4"	16.019271
"491296"	3317.281671	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M-2H+NH4"	16.019271
"879913"	1116.440071	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-2H+NH4"	16.019271
"43562"	2221.816266	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M-2H+Na"	20.974666
"487088"	3322.237066	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M-2H+Na"	20.974666
"863986"	1121.395466	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-2H+Na"	20.974666
"1632654"	1121.395466	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Na-2H"	20.974666
"109922"	1117.401863	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M-H+Cl"	33.962126
"548744"	1667.612263	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M-H+Cl"	33.962126
"942014"	567.191463	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-H+Cl"	33.962126
"280087"	2235.811002	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+Cl"	34.969402
"673234"	3336.231802	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+Cl"	34.969402
"1284544"	1135.390202	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Cl"	34.969402
"28194"	2237.790206	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M-2H+K"	36.948606
"466664"	3338.211006	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M-2H+K"	36.948606
"842278"	1137.369406	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-2H+K"	36.948606
"1563579"	1137.369406	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+K-2H"	36.948606
"951461"	1145.418994	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-H+HCOOH"	44.998194
"367490"	2245.839801	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+HCOOH-H"	44.998201
"354656"	2259.855451	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+Hac-H"	59.013851
"1499113"	1159.434651	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Hac-H"	59.013851
"969936"	1167.400951	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-H+NaCOOH"	66.980151
"118843"	1135.390202	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+2Cl"	69.938804
"556215"	1685.600602	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+2Cl"	69.938804
"1028295"	585.179802	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2Cl"	69.938804
"1256744"	1179.339685	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Br"	78.918885
"1316883"	1181.395672	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Cl+HCOOH"	80.974872
"1325633"	1203.377629	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Cl+NaCOOH"	102.956829
"923981"	1213.406386	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M-H+CF3COOH"	112.985586
"1298868"	1249.383064	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Cl+CF3COOH"	148.962264
"1380310"	1065.408124	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H-2H2O"	-35.012676
"1392343"	1083.4181	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H-H2O"	-17.0027
"292029"	2201.848876	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+H"	1.007276
"685543"	3302.269676	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+H"	1.007276
"1353512"	1101.428076	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H"	1.007276
"128586"	1101.428076	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+2H"	2.014552
"568875"	1651.638476	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+2H"	2.014552
"1042050"	551.217676	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2H"	2.014552
"211044"	734.621142666667	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+3H"	3.021828
"651700"	1101.428076	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+3H"	3.021828
"1169094"	367.814209333333	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+3H"	3.021828
"431273"	2218.875423	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+NH4"	18.033823
"790445"	3319.296223	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+NH4"	18.033823
"1684222"	1118.454623	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+NH4"	18.033823
"332865"	1109.9413495	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+H+NH4"	19.041099
"727112"	1660.1517495	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+H+NH4"	19.041099
"1478743"	559.7309495	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H+NH4"	19.041099
"395237"	2223.830818	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+Na"	22.989218
"756596"	3324.251618	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+Na"	22.989218
"1604330"	1123.410018	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Na"	22.989218
"321660"	1112.419047	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+H+Na"	23.996494
"712988"	1662.629447	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+H+Na"	23.996494
"1467536"	562.208647	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H+Na"	23.996494
"1056405"	375.141523333333	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2H+Na"	25.00377
"1258451"	1133.454286	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+CH3OH+H"	33.033486
"383598"	2239.804758	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+K"	38.963158
"745688"	3340.225558	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+K"	38.963158
"1555391"	1139.383958	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+K"	38.963158
"314163"	1120.406017	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+H+K"	39.970434
"701714"	1670.616417	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+H+K"	39.970434
"1452254"	570.195617	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H+K"	39.970434
"243042"	2242.875426	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+ACN+H"	42.033826
"1215752"	1142.454626	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+ACN+H"	42.033826
"1209403"	571.730951	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+ACN+2H"	43.041102
"202349"	2245.81276	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+2Na-H"	44.97116
"637535"	3346.23356	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+2Na-H"	44.97116
"1146270"	1145.39196	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2Na-H"	44.97116
"182151"	1123.410018	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+2Na"	45.978436
"616243"	1673.620418	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+2Na"	45.978436
"1120842"	573.199618	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2Na"	45.978436
"1405459"	382.468837333333	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H+2Na"	46.985712
"1436480"	1147.433546	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H+HCOOH"	47.012746
"226177"	1128.44304	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+3H2O+2H"	56.04448
"1520801"	1161.48559	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+IsoProp+H"	61.06479
"421584"	1131.396988	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+Na+K"	61.952376
"784415"	1681.607388	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+Na+K"	61.952376
"1678561"	581.186588	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Na+K"	61.952376
"265813"	2264.857368	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+ACN+Na"	64.015768
"1239249"	1164.436568	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+ACN+Na"	64.015768
"1726313"	1164.460093	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+NH4+HCOOH"	64.039293
"1193573"	389.796151333333	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+3Na"	68.967654
"1663379"	1169.415488	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Na+HCOOH"	68.994688
"170972"	2277.76064	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+2K-H"	76.91904
"610531"	3378.18144	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+2K-H"	76.91904
"1097956"	1177.33984	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2K-H"	76.91904
"155867"	1139.383958	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"2M+2K"	77.926316
"595425"	1689.594358	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"3M+2K"	77.926316
"1081759"	589.173558	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2K"	77.926316
"1111687"	1179.354392	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2K+H"	78.933592
"1348071"	1179.442007	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+DMSO+H"	79.021207
"1017694"	1183.481176	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2ACN+H"	83.060376
"1534725"	1184.474808	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+IsoProp+Na+H"	84.054008
"1004087"	592.244226	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+2ACN+2H"	84.067652
"1598954"	1185.389428	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+K+HCOOH"	84.968628
"1420245"	1215.420938	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+H+CF3COOH"	115.000138
"1155999"	612.757501	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+3ACN+2H"	125.094202
"1712520"	1232.447485	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+NH4+CF3COOH"	132.026685
"1637922"	1237.40288	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+Na+CF3COOH"	136.98208
"1571385"	1253.37682	"C15722"	"Quinomycin A;Echinomycin"	"C51H64N12O12S2"	"1100.4208"	"M+K+CF3COOH"	152.95602
"803943"	756.417	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M"	0
"974593"	737.39861	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-H2O-H"	-19.01839
"63891"	503.270724	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M-3H"	-3.021828
"503125"	755.409724	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M-3H"	-3.021828
"885269"	251.131724	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-3H"	-3.021828
"13686"	755.409724	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M-2H"	-2.014552
"444501"	1133.618224	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M-2H"	-2.014552
"823396"	377.201224	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-2H"	-2.014552
"82294"	1511.826724	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M-H"	-1.007276
"521126"	2268.243724	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M-H"	-1.007276
"901844"	755.409724	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-H"	-1.007276
"47712"	1528.853271	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M-2H+NH4"	16.019271
"491406"	2285.270271	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M-2H+NH4"	16.019271
"878571"	772.436271	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-2H+NH4"	16.019271
"44401"	1533.808666	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M-2H+Na"	20.974666
"486274"	2290.225666	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M-2H+Na"	20.974666
"863608"	777.391666	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-2H+Na"	20.974666
"1632279"	777.391666	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Na-2H"	20.974666
"109832"	773.398063	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M-H+Cl"	33.962126
"548489"	1151.606563	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M-H+Cl"	33.962126
"942001"	395.189563	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-H+Cl"	33.962126
"281654"	1547.803402	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+Cl"	34.969402
"675046"	2304.220402	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+Cl"	34.969402
"1283561"	791.386402	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Cl"	34.969402
"31060"	1549.782606	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M-2H+K"	36.948606
"465680"	2306.199606	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M-2H+K"	36.948606
"844575"	793.365606	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-2H+K"	36.948606
"1565875"	793.365606	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+K-2H"	36.948606
"951570"	801.415194	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-H+HCOOH"	44.998194
"369787"	1557.832201	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+HCOOH-H"	44.998201
"358046"	1571.847851	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+Hac-H"	59.013851
"1497037"	815.430851	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Hac-H"	59.013851
"970046"	823.397151	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-H+NaCOOH"	66.980151
"118953"	791.386402	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+2Cl"	69.938804
"554139"	1169.594902	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+2Cl"	69.938804
"1028405"	413.177902	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2Cl"	69.938804
"1256774"	835.335885	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Br"	78.918885
"1315172"	837.391872	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Cl+HCOOH"	80.974872
"1325743"	859.373829	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Cl+NaCOOH"	102.956829
"922998"	869.402586	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M-H+CF3COOH"	112.985586
"1298978"	905.379264	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Cl+CF3COOH"	148.962264
"1380420"	721.404324	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H-2H2O"	-35.012676
"1389172"	739.4143	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H-H2O"	-17.0027
"288859"	1513.841276	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+H"	1.007276
"679092"	2270.258276	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+H"	1.007276
"1355445"	757.424276	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H"	1.007276
"129427"	757.424276	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+2H"	2.014552
"569350"	1135.632776	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+2H"	2.014552
"1042160"	379.215776	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2H"	2.014552
"211154"	505.285276	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+3H"	3.021828
"649620"	757.424276	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+3H"	3.021828
"1167381"	253.146276	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+3H"	3.021828
"427737"	1530.867823	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+NH4"	18.033823
"788368"	2287.284823	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+NH4"	18.033823
"1686155"	774.450823	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+NH4"	18.033823
"332245"	765.9375495	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+H+NH4"	19.041099
"728680"	1144.1460495	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+H+NH4"	19.041099
"1479582"	387.7290495	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H+NH4"	19.041099
"395711"	1535.823218	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+Na"	22.989218
"756341"	2292.240218	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+Na"	22.989218
"1603709"	779.406218	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Na"	22.989218
"318490"	768.415247	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+H+Na"	23.996494
"713098"	1146.623747	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+H+Na"	23.996494
"1470197"	390.206747	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H+Na"	23.996494
"1057975"	260.47359	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2H+Na"	25.00377
"1259289"	789.450486	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+CH3OH+H"	33.033486
"382614"	1551.797158	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+K"	38.963158
"746891"	2308.214158	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+K"	38.963158
"1555587"	795.380158	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+K"	38.963158
"313415"	776.402217	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+H+K"	39.970434
"704376"	1154.610717	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+H+K"	39.970434
"1453457"	398.193717	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H+K"	39.970434
"244245"	1554.867826	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+ACN+H"	42.033826
"1215861"	798.450826	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+ACN+H"	42.033826
"1209106"	399.729051	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+ACN+2H"	43.041102
"202217"	1557.80516	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+2Na-H"	44.97116
"638374"	2314.22216	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+2Na-H"	44.97116
"1145408"	801.38816	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2Na-H"	44.97116
"177156"	779.406218	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+2Na"	45.978436
"617810"	1157.614718	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+2Na"	45.978436
"1122409"	401.197718	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2Na"	45.978436
"1406662"	267.800904	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H+2Na"	46.985712
"1437683"	803.429746	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H+HCOOH"	47.012746
"226286"	784.43924	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+3H2O+2H"	56.04448
"1518724"	817.48179	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+IsoProp+H"	61.06479
"419508"	787.393188	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+Na+K"	61.952376
"782700"	1165.601688	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+Na+K"	61.952376
"1679764"	409.184688	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Na+K"	61.952376
"265923"	1576.849768	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+ACN+Na"	64.015768
"1240089"	820.432768	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+ACN+Na"	64.015768
"1728005"	820.456293	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+NH4+HCOOH"	64.039293
"1194010"	275.128218	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+3Na"	68.967654
"1665480"	825.411688	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Na+HCOOH"	68.994688
"172173"	1589.75304	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+2K-H"	76.91904
"611005"	2346.17004	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+2K-H"	76.91904
"1099039"	833.33604	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2K-H"	76.91904
"155859"	795.380158	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"2M+2K"	77.926316
"596510"	1173.588658	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"3M+2K"	77.926316
"1083086"	417.171658	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2K"	77.926316
"1111797"	835.350592	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2K+H"	78.933592
"1349275"	835.438207	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+DMSO+H"	79.021207
"1018897"	839.477376	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2ACN+H"	83.060376
"1534835"	840.471008	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+IsoProp+Na+H"	84.054008
"1003468"	420.242326	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+2ACN+2H"	84.067652
"1597971"	841.385628	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+K+HCOOH"	84.968628
"1421448"	871.417138	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+H+CF3COOH"	115.000138
"1156109"	440.755601	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+3ACN+2H"	125.094202
"1712508"	888.443685	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+NH4+CF3COOH"	132.026685
"1640218"	893.39908	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+Na+CF3COOH"	136.98208
"1572954"	909.37302	"C15723"	"Nostocyclopeptide A1"	"C37H56N8O9"	"756.417"	"M+K+CF3COOH"	152.95602
"807333"	790.4014	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M"	0
"975760"	771.38301	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-H2O-H"	-19.01839
"66917"	525.926990666667	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M-3H"	-3.021828
"506479"	789.394124	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M-3H"	-3.021828
"891939"	262.459857333333	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-3H"	-3.021828
"14768"	789.394124	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M-2H"	-2.014552
"443518"	1184.594824	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M-2H"	-2.014552
"823506"	394.193424	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-2H"	-2.014552
"81675"	1579.795524	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M-H"	-1.007276
"521965"	2370.196924	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M-H"	-1.007276
"899036"	789.394124	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-H"	-1.007276
"48309"	1596.822071	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M-2H+NH4"	16.019271
"491516"	2387.223471	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M-2H+NH4"	16.019271
"878799"	806.420671	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-2H+NH4"	16.019271
"40502"	1601.777466	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M-2H+Na"	20.974666
"485659"	2392.178866	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M-2H+Na"	20.974666
"863350"	811.376066	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-2H+Na"	20.974666
"1632390"	811.376066	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Na-2H"	20.974666
"109407"	807.382463	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M-H+Cl"	33.962126
"548478"	1202.583163	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M-H+Cl"	33.962126
"940163"	412.181763	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-H+Cl"	33.962126
"281039"	1615.772202	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+Cl"	34.969402
"673944"	2406.173602	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+Cl"	34.969402
"1284764"	825.370802	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Cl"	34.969402
"30116"	1617.751406	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M-2H+K"	36.948606
"464697"	2408.152806	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M-2H+K"	36.948606
"844685"	827.350006	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-2H+K"	36.948606
"1564892"	827.350006	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+K-2H"	36.948606
"950587"	835.399594	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-H+HCOOH"	44.998194
"367710"	1625.801001	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+HCOOH-H"	44.998201
"353782"	1639.816651	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+Hac-H"	59.013851
"1498240"	849.415251	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Hac-H"	59.013851
"970156"	857.381551	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-H+NaCOOH"	66.980151
"115783"	825.370802	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+2Cl"	69.938804
"553155"	1220.571502	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+2Cl"	69.938804
"1034711"	430.170102	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2Cl"	69.938804
"1256764"	869.320285	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Br"	78.918885
"1311635"	871.376272	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Cl+HCOOH"	80.974872
"1328037"	893.358229	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Cl+NaCOOH"	102.956829
"921286"	903.386986	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M-H+CF3COOH"	112.985586
"1301276"	939.363664	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Cl+CF3COOH"	148.962264
"1381260"	755.388724	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H-2H2O"	-35.012676
"1389282"	773.3987	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H-H2O"	-17.0027
"288969"	1581.810076	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+H"	1.007276
"679202"	2372.211476	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+H"	1.007276
"1355555"	791.408676	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H"	1.007276
"128200"	791.408676	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+2H"	2.014552
"571283"	1186.609376	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+2H"	2.014552
"1044457"	396.207976	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2H"	2.014552
"214545"	527.941542666667	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+3H"	3.021828
"653009"	791.408676	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+3H"	3.021828
"1170408"	264.474409333333	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+3H"	3.021828
"433315"	1598.836623	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+NH4"	18.033823
"792124"	2389.238023	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+NH4"	18.033823
"1687359"	808.435223	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+NH4"	18.033823
"335639"	799.9219495	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+H+NH4"	19.041099
"730249"	1195.1226495	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+H+NH4"	19.041099
"1484068"	404.7212495	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H+NH4"	19.041099
"399468"	1603.792018	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+Na"	22.989218
"762649"	2394.193418	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+Na"	22.989218
"1604918"	813.390618	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Na"	22.989218
"324067"	802.399647	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+H+Na"	23.996494
"718675"	1197.600347	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+H+Na"	23.996494
"1469214"	407.198947	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H+Na"	23.996494
"1067564"	271.801723333333	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2H+Na"	25.00377
"1259402"	823.434886	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+CH3OH+H"	33.033486
"383817"	1619.765958	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+K"	38.963158
"748094"	2410.167358	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+K"	38.963158
"1554044"	829.364558	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+K"	38.963158
"312432"	810.386617	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+H+K"	39.970434
"704850"	1205.587317	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+H+K"	39.970434
"1453567"	415.185917	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H+K"	39.970434
"244355"	1622.836626	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+ACN+H"	42.033826
"1215971"	832.435226	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+ACN+H"	42.033826
"1208732"	416.721251	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+ACN+2H"	43.041102
"199288"	1625.77396	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+2Na-H"	44.97116
"636661"	2416.17536	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+2Na-H"	44.97116
"1146009"	835.37256	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2Na-H"	44.97116
"186869"	813.390618	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+2Na"	45.978436
"619014"	1208.591318	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+2Na"	45.978436
"1127621"	418.189918	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2Na"	45.978436
"1405679"	279.129037333333	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H+2Na"	46.985712
"1436700"	837.414146	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H+HCOOH"	47.012746
"223480"	818.42364	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+3H2O+2H"	56.04448
"1516647"	851.46619	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+IsoProp+H"	61.06479
"422776"	821.377588	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+Na+K"	61.952376
"782810"	1216.578288	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+Na+K"	61.952376
"1680236"	426.176888	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Na+K"	61.952376
"265910"	1644.818568	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+ACN+Na"	64.015768
"1239469"	854.417168	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+ACN+Na"	64.015768
"1727263"	854.440693	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+NH4+HCOOH"	64.039293
"1193469"	286.456351333333	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+3Na"	68.967654
"1663962"	859.396088	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Na+HCOOH"	68.994688
"171918"	1657.72184	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+2K-H"	76.91904
"611842"	2448.12324	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+2K-H"	76.91904
"1097809"	867.32044	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2K-H"	76.91904
"156210"	829.364558	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"2M+2K"	77.926316
"595523"	1224.565258	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"3M+2K"	77.926316
"1081614"	434.163858	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2K"	77.926316
"1113488"	869.334992	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2K+H"	78.933592
"1350116"	869.422607	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+DMSO+H"	79.021207
"1015727"	873.461776	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2ACN+H"	83.060376
"1534945"	874.455408	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+IsoProp+Na+H"	84.054008
"1001391"	437.234526	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+2ACN+2H"	84.067652
"1596988"	875.370028	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+K+HCOOH"	84.968628
"1420465"	905.401538	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+H+CF3COOH"	115.000138
"1155126"	457.747801	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+3ACN+2H"	125.094202
"1712333"	922.428085	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+NH4+CF3COOH"	132.026685
"1640328"	927.38348	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+Na+CF3COOH"	136.98208
"1572335"	943.35742	"C15724"	"Nostocyclopeptide A2"	"C40H54N8O9"	"790.4014"	"M+K+CF3COOH"	152.95602
"807445"	804.417	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M"	0
"977697"	785.39861	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-H2O-H"	-19.01839
"64116"	535.270724	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M-3H"	-3.021828
"503676"	803.409724	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M-3H"	-3.021828
"888771"	267.131724	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-3H"	-3.021828
"14393"	803.409724	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M-2H"	-2.014552
"442535"	1205.618224	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M-2H"	-2.014552
"825804"	401.201224	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-2H"	-2.014552
"83608"	1607.826724	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M-H"	-1.007276
"523170"	2412.243724	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M-H"	-1.007276
"897443"	803.409724	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-H"	-1.007276
"57533"	1624.853271	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M-2H+NH4"	16.019271
"491626"	2429.270271	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M-2H+NH4"	16.019271
"879168"	820.436271	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-2H+NH4"	16.019271
"45612"	1629.808666	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M-2H+Na"	20.974666
"486661"	2434.225666	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M-2H+Na"	20.974666
"862726"	825.391666	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-2H+Na"	20.974666
"1633350"	825.391666	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Na-2H"	20.974666
"107691"	821.398063	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M-H+Cl"	33.962126
"548344"	1223.606563	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M-H+Cl"	33.962126
"940402"	419.189563	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-H+Cl"	33.962126
"280780"	1643.803402	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+Cl"	34.969402
"672471"	2448.220402	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+Cl"	34.969402
"1284873"	839.386402	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Cl"	34.969402
"28524"	1645.782606	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M-2H+K"	36.948606
"465900"	2450.199606	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M-2H+K"	36.948606
"841514"	841.365606	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-2H+K"	36.948606
"1562814"	841.365606	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+K-2H"	36.948606
"948510"	849.415194	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-H+HCOOH"	44.998194
"367819"	1653.832201	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+HCOOH-H"	44.998201
"350611"	1667.847851	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+Hac-H"	59.013851
"1495069"	863.430851	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Hac-H"	59.013851
"963706"	871.397151	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-H+NaCOOH"	66.980151
"112611"	839.386402	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+2Cl"	69.938804
"550956"	1241.594902	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+2Cl"	69.938804
"1023522"	437.177902	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2Cl"	69.938804
"1249296"	883.335885	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Br"	78.918885
"1312838"	885.391872	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Cl+HCOOH"	80.974872
"1323773"	907.373829	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Cl+NaCOOH"	102.956829
"921396"	917.402586	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M-H+CF3COOH"	112.985586
"1301386"	953.379264	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Cl+CF3COOH"	148.962264
"1372988"	769.404324	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H-2H2O"	-35.012676
"1388299"	787.4143	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H-H2O"	-17.0027
"286162"	1609.841276	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+H"	1.007276
"680409"	2414.258276	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+H"	1.007276
"1352382"	805.424276	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H"	1.007276
"127095"	805.424276	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+2H"	2.014552
"571393"	1207.632776	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+2H"	2.014552
"1043839"	403.215776	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2H"	2.014552
"209552"	537.285276	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+3H"	3.021828
"655309"	805.424276	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+3H"	3.021828
"1172705"	269.146276	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+3H"	3.021828
"430144"	1626.867823	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+NH4"	18.033823
"794423"	2431.284823	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+NH4"	18.033823
"1694033"	822.450823	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+NH4"	18.033823
"336843"	813.9375495	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+H+NH4"	19.041099
"731449"	1216.1460495	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+H+NH4"	19.041099
"1481992"	411.7290495	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H+NH4"	19.041099
"405044"	1631.823218	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+Na"	22.989218
"762759"	2436.240218	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+Na"	22.989218
"1604298"	827.406218	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Na"	22.989218
"318711"	816.415247	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+H+Na"	23.996494
"715505"	1218.623747	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+H+Na"	23.996494
"1469324"	414.206747	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H+Na"	23.996494
"1066580"	276.47359	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2H+Na"	25.00377
"1258660"	837.450486	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+CH3OH+H"	33.033486
"388668"	1647.797158	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+K"	38.963158
"748204"	2452.214158	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+K"	38.963158
"1552821"	843.380158	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+K"	38.963158
"312907"	824.402217	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+H+K"	39.970434
"705325"	1226.610717	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+H+K"	39.970434
"1453677"	422.193717	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H+K"	39.970434
"247381"	1650.867826	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+ACN+H"	42.033826
"1216081"	846.450826	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+ACN+H"	42.033826
"1208966"	423.729051	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+ACN+2H"	43.041102
"199398"	1653.80516	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+2Na-H"	44.97116
"636771"	2458.22216	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+2Na-H"	44.97116
"1146407"	849.38816	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2Na-H"	44.97116
"177012"	827.406218	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+2Na"	45.978436
"623133"	1229.614718	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+2Na"	45.978436
"1127731"	425.197718	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2Na"	45.978436
"1405059"	283.800904	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H+2Na"	46.985712
"1437174"	851.429746	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H+HCOOH"	47.012746
"229789"	832.43924	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+3H2O+2H"	56.04448
"1517855"	865.48179	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+IsoProp+H"	61.06479
"414260"	835.393188	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+Na+K"	61.952376
"783288"	1237.601688	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+Na+K"	61.952376
"1678884"	433.184688	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Na+K"	61.952376
"265410"	1672.849768	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+ACN+Na"	64.015768
"1239938"	868.432768	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+ACN+Na"	64.015768
"1727005"	868.456293	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+NH4+HCOOH"	64.039293
"1193824"	291.128218	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+3Na"	68.967654
"1664683"	873.411688	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Na+HCOOH"	68.994688
"172394"	1685.75304	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+2K-H"	76.91904
"611224"	2490.17004	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+2K-H"	76.91904
"1097919"	881.33604	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2K-H"	76.91904
"154737"	843.380158	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"2M+2K"	77.926316
"595391"	1245.588658	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"3M+2K"	77.926316
"1079900"	441.171658	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2K"	77.926316
"1114206"	883.350592	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2K+H"	78.933592
"1349253"	883.438207	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+DMSO+H"	79.021207
"1015837"	887.477376	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2ACN+H"	83.060376
"1531776"	888.471008	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+IsoProp+Na+H"	84.054008
"996035"	444.242326	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+2ACN+2H"	84.067652
"1588351"	889.385628	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+K+HCOOH"	84.968628
"1421669"	919.417138	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+H+CF3COOH"	115.000138
"1150862"	464.755601	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+3ACN+2H"	125.094202
"1705882"	936.443685	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+NH4+CF3COOH"	132.026685
"1639345"	941.39908	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+Na+CF3COOH"	136.98208
"1571713"	957.37302	"C15725"	"Nostocyclopeptide A3"	"C41H56N8O9"	"804.417"	"M+K+CF3COOH"	152.95602
"807555"	396.1969	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M"	0
"977807"	377.17851	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-H2O-H"	-19.01839
"65319"	263.123990666667	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M-3H"	-3.021828
"504150"	395.189624	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M-3H"	-3.021828
"888881"	131.058357333333	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-3H"	-3.021828
"12922"	395.189624	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M-2H"	-2.014552
"442645"	593.288074	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M-2H"	-2.014552
"825914"	197.091174	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-2H"	-2.014552
"83718"	791.386524	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M-H"	-1.007276
"523280"	1187.583424	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M-H"	-1.007276
"897431"	395.189624	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-H"	-1.007276
"55457"	808.413071	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M-2H+NH4"	16.019271
"491736"	1204.609971	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M-2H+NH4"	16.019271
"879726"	412.216171	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-2H+NH4"	16.019271
"46692"	813.368466	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M-2H+Na"	20.974666
"486893"	1209.565366	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M-2H+Na"	20.974666
"862713"	417.171566	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-2H+Na"	20.974666
"1633946"	417.171566	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Na-2H"	20.974666
"109257"	413.177963	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M-H+Cl"	33.962126
"549062"	611.276413	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M-H+Cl"	33.962126
"941240"	215.079513	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-H+Cl"	33.962126
"281501"	827.363202	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+Cl"	34.969402
"674404"	1223.560102	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+Cl"	34.969402
"1287170"	431.166302	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Cl"	34.969402
"22073"	829.342406	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M-2H+K"	36.948606
"466010"	1225.539306	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M-2H+K"	36.948606
"841625"	433.145506	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-2H+K"	36.948606
"1561831"	433.145506	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+K-2H"	36.948606
"945339"	441.195094	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-H+HCOOH"	44.998194
"367929"	837.392001	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+HCOOH-H"	44.998201
"350721"	851.407651	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+Hac-H"	59.013851
"1493474"	455.210751	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Hac-H"	59.013851
"964909"	463.177051	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-H+NaCOOH"	66.980151
"113086"	431.166302	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+2Cl"	69.938804
"552282"	629.264752	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+2Cl"	69.938804
"1022292"	233.067852	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2Cl"	69.938804
"1249406"	475.115785	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Br"	78.918885
"1312948"	477.171772	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Cl+HCOOH"	80.974872
"1320723"	499.153729	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Cl+NaCOOH"	102.956829
"921505"	509.182486	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M-H+CF3COOH"	112.985586
"1300403"	545.159164	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Cl+CF3COOH"	148.962264
"1372005"	361.184224	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H-2H2O"	-35.012676
"1388409"	379.1942	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H-H2O"	-17.0027
"285908"	793.401076	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+H"	1.007276
"680518"	1189.597976	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+H"	1.007276
"1352856"	397.204176	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H"	1.007276
"129756"	397.204176	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+2H"	2.014552
"568951"	595.302626	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+2H"	2.014552
"1043948"	199.105726	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2H"	2.014552
"210027"	265.138542666667	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+3H"	3.021828
"653596"	397.204176	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+3H"	3.021828
"1169170"	133.072909333333	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+3H"	3.021828
"429160"	810.427623	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+NH4"	18.033823
"795626"	1206.624523	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+NH4"	18.033823
"1691956"	414.230723	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+NH4"	18.033823
"338046"	405.7174495	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+H+NH4"	19.041099
"732652"	603.8158995	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+H+NH4"	19.041099
"1485381"	207.6189995	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H+NH4"	19.041099
"402965"	815.383018	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+Na"	22.989218
"765056"	1211.579918	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+Na"	22.989218
"1604773"	419.186118	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Na"	22.989218
"318821"	408.195147	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+H+Na"	23.996494
"715615"	606.293597	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+H+Na"	23.996494
"1470527"	210.096697	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H+Na"	23.996494
"1063773"	140.400223333333	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2H+Na"	25.00377
"1258408"	429.230386	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+CH3OH+H"	33.033486
"389142"	831.356958	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+K"	38.963158
"749407"	1227.553858	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+K"	38.963158
"1555456"	435.160058	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+K"	38.963158
"313381"	416.182117	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+H+K"	39.970434
"706163"	614.280567	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+H+K"	39.970434
"1453787"	218.083667	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H+K"	39.970434
"246762"	834.427626	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+ACN+H"	42.033826
"1215098"	438.230726	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+ACN+H"	42.033826
"1209560"	219.619001	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+ACN+2H"	43.041102
"198415"	837.36496	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+2Na-H"	44.97116
"636881"	1233.56186	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+2Na-H"	44.97116
"1146355"	441.16806	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2Na-H"	44.97116
"180401"	419.186118	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+2Na"	45.978436
"622150"	617.284568	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+2Na"	45.978436
"1127841"	221.087668	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2Na"	45.978436
"1404804"	147.727537333333	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H+2Na"	46.985712
"1435826"	443.209646	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H+HCOOH"	47.012746
"228806"	424.21914	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+3H2O+2H"	56.04448
"1517965"	457.26169	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+IsoProp+H"	61.06479
"415463"	427.173088	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+Na+K"	61.952376
"783764"	625.271538	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+Na+K"	61.952376
"1679601"	229.074638	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Na+K"	61.952376
"266814"	856.409568	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+ACN+Na"	64.015768
"1240291"	460.212668	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+ACN+Na"	64.015768
"1728130"	460.236193	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+NH4+HCOOH"	64.039293
"1193692"	155.054851333333	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+3Na"	68.967654
"1664550"	465.191588	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Na+HCOOH"	68.994688
"171899"	869.31284	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+2K-H"	76.91904
"611457"	1265.50974	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+2K-H"	76.91904
"1095842"	473.11594	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2K-H"	76.91904
"153752"	435.160058	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"2M+2K"	77.926316
"594286"	633.258508	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"3M+2K"	77.926316
"1078917"	237.061608	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2K"	77.926316
"1109940"	475.130492	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2K+H"	78.933592
"1346325"	475.218107	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+DMSO+H"	79.021207
"1015947"	479.257276	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2ACN+H"	83.060376
"1531886"	480.250908	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+IsoProp+Na+H"	84.054008
"993959"	240.132276	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+2ACN+2H"	84.067652
"1587853"	481.165528	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+K+HCOOH"	84.968628
"1421779"	511.197038	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+H+CF3COOH"	115.000138
"1149879"	260.645551	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+3ACN+2H"	125.094202
"1704899"	528.223585	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+NH4+CF3COOH"	132.026685
"1637269"	533.17898	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+Na+CF3COOH"	136.98208
"1571501"	549.15292	"C15726"	"Zwittermicin A"	"C13H28N6O8"	"396.1969"	"M+K+CF3COOH"	152.95602
"815320"	1156.2403	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M"	0
"981198"	1137.22191	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-H2O-H"	-19.01839
"70533"	769.819590666667	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M-3H"	-3.021828
"511186"	1155.233024	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M-3H"	-3.021828
"888991"	384.406157333333	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-3H"	-3.021828
"13032"	1155.233024	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M-2H"	-2.014552
"447130"	1733.353174	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M-2H"	-2.014552
"831492"	577.112874	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-2H"	-2.014552
"83829"	2311.473324	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M-H"	-1.007276
"527764"	3467.713624	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M-H"	-1.007276
"905564"	1155.233024	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-H"	-1.007276
"58847"	2328.499871	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M-2H+NH4"	16.019271
"494033"	3484.740171	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M-2H+NH4"	16.019271
"879846"	1172.259571	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-2H+NH4"	16.019271
"47115"	2333.455266	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M-2H+Na"	20.974666
"486850"	3489.695566	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M-2H+Na"	20.974666
"863189"	1177.214966	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-2H+Na"	20.974666
"1634061"	1177.214966	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Na-2H"	20.974666
"107547"	1173.221363	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M-H+Cl"	33.962126
"549580"	1751.341513	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M-H+Cl"	33.962126
"940988"	595.101213	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-H+Cl"	33.962126
"280881"	2347.450002	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+Cl"	34.969402
"674882"	3503.690302	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+Cl"	34.969402
"1287529"	1191.209702	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Cl"	34.969402
"28744"	2349.429206	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M-2H+K"	36.948606
"468307"	3505.669506	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M-2H+K"	36.948606
"843923"	1193.188906	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-2H+K"	36.948606
"1564129"	1193.188906	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+K-2H"	36.948606
"948730"	1201.238494	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-H+HCOOH"	44.998194
"364760"	2357.478801	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+HCOOH-H"	44.998201
"354112"	2371.494451	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+Hac-H"	59.013851
"1502944"	1215.254151	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Hac-H"	59.013851
"967206"	1223.220451	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-H+NaCOOH"	66.980151
"116477"	1191.209702	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+2Cl"	69.938804
"556768"	1769.329852	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+2Cl"	69.938804
"1024107"	613.089552	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2Cl"	69.938804
"1246237"	1235.159185	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Br"	78.918885
"1315244"	1237.215172	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Cl+HCOOH"	80.974872
"1329461"	1259.197129	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Cl+NaCOOH"	102.956829
"921615"	1269.225886	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M-H+CF3COOH"	112.985586
"1302700"	1305.202564	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Cl+CF3COOH"	148.962264
"1372114"	1121.227624	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H-2H2O"	-35.012676
"1393984"	1139.2376	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H-H2O"	-17.0027
"287476"	2313.487876	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+H"	1.007276
"682816"	3469.728176	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+H"	1.007276
"1359164"	1157.247576	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H"	1.007276
"129866"	1157.247576	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+2H"	2.014552
"569427"	1735.367726	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+2H"	2.014552
"1046975"	579.127426	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2H"	2.014552
"213783"	771.834142666667	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+3H"	3.021828
"653342"	1157.247576	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+3H"	3.021828
"1173655"	386.420709333333	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+3H"	3.021828
"433646"	2330.514423	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+NH4"	18.033823
"796829"	3486.754723	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+NH4"	18.033823
"1693160"	1174.274123	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+NH4"	18.033823
"343264"	1165.7608495	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+H+NH4"	19.041099
"734957"	1743.8809995	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+H+NH4"	19.041099
"1487677"	587.6406995	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H+NH4"	19.041099
"406358"	2335.469818	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+Na"	22.989218
"760792"	3491.710118	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+Na"	22.989218
"1604761"	1179.229518	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Na"	22.989218
"316015"	1168.238547	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+H+Na"	23.996494
"712444"	1746.358697	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+H+Na"	23.996494
"1469545"	590.118397	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H+Na"	23.996494
"1059509"	393.748023333333	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2H+Na"	25.00377
"1258638"	1189.273786	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+CH3OH+H"	33.033486
"390711"	2351.443758	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+K"	38.963158
"749153"	3507.684058	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+K"	38.963158
"1555571"	1195.203458	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+K"	38.963158
"313494"	1176.225517	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+H+K"	39.970434
"706396"	1754.345667	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+H+K"	39.970434
"1459002"	598.105367	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H+K"	39.970434
"248697"	2354.514426	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+ACN+H"	42.033826
"1220312"	1198.274126	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+ACN+H"	42.033826
"1209880"	599.640701	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+ACN+2H"	43.041102
"204147"	2357.45176	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+2Na-H"	44.97116
"635897"	3513.69206	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+2Na-H"	44.97116
"1146831"	1201.21146	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2Na-H"	44.97116
"184887"	1179.229518	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+2Na"	45.978436
"628417"	1757.349668	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+2Na"	45.978436
"1130747"	601.109368	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2Na"	45.978436
"1413662"	401.075337333333	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H+2Na"	46.985712
"1441404"	1203.253046	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H+HCOOH"	47.012746
"228917"	1184.26254	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+3H2O+2H"	56.04448
"1520993"	1217.30509	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+IsoProp+H"	61.06479
"419946"	1187.216488	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+Na+K"	61.952376
"784239"	1765.336638	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+Na+K"	61.952376
"1678739"	609.096338	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Na+K"	61.952376
"264541"	2376.496368	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+ACN+Na"	64.015768
"1239921"	1220.256068	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+ACN+Na"	64.015768
"1726987"	1220.279593	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+NH4+HCOOH"	64.039293
"1193193"	408.402651333333	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+3Na"	68.967654
"1664542"	1225.234988	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Na+HCOOH"	68.994688
"171889"	2389.39964	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+2K-H"	76.91904
"612546"	3545.63994	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+2K-H"	76.91904
"1099604"	1233.15934	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2K-H"	76.91904
"156951"	1195.203458	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"2M+2K"	77.926316
"596586"	1773.323608	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"3M+2K"	77.926316
"1083038"	617.083308	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2K"	77.926316
"1114305"	1235.173892	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2K+H"	78.933592
"1346435"	1235.261507	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+DMSO+H"	79.021207
"1009498"	1239.300676	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2ACN+H"	83.060376
"1531995"	1240.294308	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+IsoProp+Na+H"	84.054008
"991394"	620.153976	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+2ACN+2H"	84.067652
"1594039"	1241.208928	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+K+HCOOH"	84.968628
"1422982"	1271.240438	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+H+CF3COOH"	115.000138
"1149989"	640.667251	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+3ACN+2H"	125.094202
"1706102"	1288.266985	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+NH4+CF3COOH"	132.026685
"1637379"	1293.22238	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+Na+CF3COOH"	136.98208
"1571938"	1309.19632	"C15727"	"Thiocoraline"	"C48H56N10O12S6"	"1156.2403"	"M+K+CF3COOH"	152.95602
"807775"	865.4976	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M"	0
"975840"	846.47921	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-H2O-H"	-19.01839
"65176"	575.991124	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M-3H"	-3.021828
"503763"	864.490324	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M-3H"	-3.021828
"889100"	287.491924	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-3H"	-3.021828
"9862"	864.490324	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M-2H"	-2.014552
"447240"	1297.239124	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M-2H"	-2.014552
"831602"	431.741524	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-2H"	-2.014552
"85032"	1729.987924	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M-H"	-1.007276
"521677"	2595.485524	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M-H"	-1.007276
"902394"	864.490324	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-H"	-1.007276
"56770"	1747.014471	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M-2H+NH4"	16.019271
"489769"	2612.512071	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M-2H+NH4"	16.019271
"879452"	881.516871	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-2H+NH4"	16.019271
"46991"	1751.969866	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M-2H+Na"	20.974666
"486998"	2617.467466	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M-2H+Na"	20.974666
"864100"	886.472266	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-2H+Na"	20.974666
"1632950"	886.472266	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Na-2H"	20.974666
"109359"	882.478663	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M-H+Cl"	33.962126
"549280"	1315.227463	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M-H+Cl"	33.962126
"941823"	449.729863	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-H+Cl"	33.962126
"282206"	1765.964602	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+Cl"	34.969402
"673532"	2631.462202	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+Cl"	34.969402
"1287518"	900.467002	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Cl"	34.969402
"28854"	1767.943806	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M-2H+K"	36.948606
"468417"	2633.441406	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M-2H+K"	36.948606
"846219"	902.446206	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-2H+K"	36.948606
"1566426"	902.446206	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+K-2H"	36.948606
"948840"	910.495794	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-H+HCOOH"	44.998194
"364870"	1775.993401	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+HCOOH-H"	44.998201
"356409"	1790.009051	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+Hac-H"	59.013851
"1503054"	924.511451	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Hac-H"	59.013851
"967316"	932.477751	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-H+NaCOOH"	66.980151
"116223"	900.467002	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+2Cl"	69.938804
"556878"	1333.215802	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+2Cl"	69.938804
"1023489"	467.718202	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2Cl"	69.938804
"1246347"	944.416485	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Br"	78.918885
"1315354"	946.472472	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Cl+HCOOH"	80.974872
"1329571"	968.454429	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Cl+NaCOOH"	102.956829
"921725"	978.483186	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M-H+CF3COOH"	112.985586
"1302081"	1014.459864	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Cl+CF3COOH"	148.962264
"1372224"	830.484924	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H-2H2O"	-35.012676
"1395917"	848.4949	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H-H2O"	-17.0027
"293780"	1732.002476	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+H"	1.007276
"688387"	2597.500076	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+H"	1.007276
"1359269"	866.504876	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H"	1.007276
"128883"	866.504876	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+2H"	2.014552
"569537"	1299.253676	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+2H"	2.014552
"1041981"	433.756076	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2H"	2.014552
"208789"	578.005676	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+3H"	3.021828
"652358"	866.504876	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+3H"	3.021828
"1168298"	289.506476	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+3H"	3.021828
"432662"	1749.029023	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+NH4"	18.033823
"795845"	2614.526623	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+NH4"	18.033823
"1694363"	883.531423	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+NH4"	18.033823
"340458"	875.0181495	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+H+NH4"	19.041099
"735066"	1307.7669495	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+H+NH4"	19.041099
"1487787"	442.2693495	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H+NH4"	19.041099
"406468"	1753.984418	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+Na"	22.989218
"760902"	2619.482018	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+Na"	22.989218
"1607910"	888.486818	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Na"	22.989218
"317949"	877.495847	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+H+Na"	23.996494
"713649"	1310.244647	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+H+Na"	23.996494
"1469655"	444.747047	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H+Na"	23.996494
"1058526"	296.83379	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2H+Na"	25.00377
"1259476"	898.531086	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+CH3OH+H"	33.033486
"389729"	1769.958358	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+K"	38.963158
"748899"	2635.455958	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+K"	38.963158
"1554972"	904.460758	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+K"	38.963158
"313805"	885.482817	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+H+K"	39.970434
"706426"	1318.231617	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+H+K"	39.970434
"1459112"	452.734017	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H+K"	39.970434
"248443"	1773.029026	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+ACN+H"	42.033826
"1220422"	907.531426	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+ACN+H"	42.033826
"1209624"	454.269351	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+ACN+2H"	43.041102
"203946"	1775.96636	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+2Na-H"	44.97116
"634914"	2641.46396	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+2Na-H"	44.97116
"1147000"	910.46876	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2Na-H"	44.97116
"182810"	888.486818	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+2Na"	45.978436
"625650"	1321.235618	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+2Na"	45.978436
"1129155"	455.738018	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2Na"	45.978436
"1411584"	304.161104	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H+2Na"	46.985712
"1440421"	912.510346	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H+HCOOH"	47.012746
"229027"	893.51984	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+3H2O+2H"	56.04448
"1521103"	926.56239	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+IsoProp+H"	61.06479
"418963"	896.473788	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+Na+K"	61.952376
"783608"	1329.222588	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+Na+K"	61.952376
"1678119"	463.724988	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Na+K"	61.952376
"266473"	1795.010968	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+ACN+Na"	64.015768
"1241133"	929.513368	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+ACN+Na"	64.015768
"1728198"	929.536893	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+NH4+HCOOH"	64.039293
"1193829"	311.488418	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+3Na"	68.967654
"1665545"	934.492288	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Na+HCOOH"	68.994688
"172243"	1807.91424	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+2K-H"	76.91904
"612654"	2673.41184	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+2K-H"	76.91904
"1099843"	942.41664	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2K-H"	76.91904
"156981"	904.460758	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"2M+2K"	77.926316
"596940"	1337.209558	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"3M+2K"	77.926316
"1082176"	471.711958	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2K"	77.926316
"1114536"	944.431192	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2K+H"	78.933592
"1346544"	944.518807	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+DMSO+H"	79.021207
"1010701"	948.557976	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2ACN+H"	83.060376
"1532105"	949.551608	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+IsoProp+Na+H"	84.054008
"993449"	474.782626	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+2ACN+2H"	84.067652
"1590139"	950.466228	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+K+HCOOH"	84.968628
"1421999"	980.497738	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+H+CF3COOH"	115.000138
"1148275"	495.295901	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+3ACN+2H"	125.094202
"1706212"	997.524285	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+NH4+CF3COOH"	132.026685
"1637489"	1002.47968	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+Na+CF3COOH"	136.98208
"1572048"	1018.45362	"C15728"	"Chivosazole A"	"C49H71NO12"	"865.4976"	"M+K+CF3COOH"	152.95602
"811165"	851.482	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M"	0
"975950"	832.46361	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-H2O-H"	-19.01839
"66377"	566.647390666667	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M-3H"	-3.021828
"504845"	850.474724	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M-3H"	-3.021828
"885930"	282.820057333333	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-3H"	-3.021828
"13252"	850.474724	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M-2H"	-2.014552
"445162"	1276.215724	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M-2H"	-2.014552
"827337"	424.733724	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-2H"	-2.014552
"84047"	1701.956724	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M-H"	-1.007276
"524702"	2553.438724	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M-H"	-1.007276
"900316"	850.474724	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-H"	-1.007276
"53600"	1718.983271	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M-2H+NH4"	16.019271
"492066"	2570.465271	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M-2H+NH4"	16.019271
"879687"	867.501271	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-2H+NH4"	16.019271
"46406"	1723.938666	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M-2H+Na"	20.974666
"485598"	2575.420666	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M-2H+Na"	20.974666
"863648"	872.456666	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-2H+Na"	20.974666
"1632570"	872.456666	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Na-2H"	20.974666
"109594"	868.463063	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M-H+Cl"	33.962126
"548785"	1294.204063	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M-H+Cl"	33.962126
"941814"	442.722063	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-H+Cl"	33.962126
"280124"	1737.933402	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+Cl"	34.969402
"672911"	2589.415402	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+Cl"	34.969402
"1286410"	886.451402	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Cl"	34.969402
"25683"	1739.912606	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M-2H+K"	36.948606
"467434"	2591.394606	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M-2H+K"	36.948606
"845236"	888.430606	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-2H+K"	36.948606
"1561069"	888.430606	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+K-2H"	36.948606
"948950"	896.480194	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-H+HCOOH"	44.998194
"364980"	1747.962201	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+HCOOH-H"	44.998201
"353239"	1761.977851	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+Hac-H"	59.013851
"1503164"	910.495851	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Hac-H"	59.013851
"961959"	918.462151	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-H+NaCOOH"	66.980151
"116333"	886.451402	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+2Cl"	69.938804
"553708"	1312.192402	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+2Cl"	69.938804
"1023599"	460.710402	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2Cl"	69.938804
"1246457"	930.400885	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Br"	78.918885
"1318744"	932.456872	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Cl+HCOOH"	80.974872
"1332961"	954.438829	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Cl+NaCOOH"	102.956829
"920742"	964.467586	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M-H+CF3COOH"	112.985586
"1301463"	1000.444264	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Cl+CF3COOH"	148.962264
"1372334"	816.469324	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H-2H2O"	-35.012676
"1397487"	834.4793	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H-H2O"	-17.0027
"296443"	1703.971276	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+H"	1.007276
"689955"	2555.453276	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+H"	1.007276
"1362658"	852.489276	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H"	1.007276
"127169"	852.489276	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+2H"	2.014552
"570011"	1278.230276	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+2H"	2.014552
"1039174"	426.748276	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2H"	2.014552
"206712"	568.661942666667	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+3H"	3.021828
"652468"	852.489276	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+3H"	3.021828
"1171687"	284.834609333333	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+3H"	3.021828
"430585"	1720.997823	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+NH4"	18.033823
"794860"	2572.479823	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+NH4"	18.033823
"1693380"	869.515823	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+NH4"	18.033823
"340567"	861.0025495	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+H+NH4"	19.041099
"732988"	1286.7435495	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+H+NH4"	19.041099
"1488990"	435.2615495	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H+NH4"	19.041099
"405483"	1725.953218	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+Na"	22.989218
"761012"	2577.435218	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+Na"	22.989218
"1608020"	874.471218	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Na"	22.989218
"321338"	863.480247	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+H+Na"	23.996494
"715945"	1289.221247	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+H+Na"	23.996494
"1468671"	437.739247	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H+Na"	23.996494
"1057541"	292.161923333333	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2H+Na"	25.00377
"1259222"	884.515486	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+CH3OH+H"	33.033486
"390568"	1741.927158	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+K"	38.963158
"749737"	2593.409158	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+K"	38.963158
"1554960"	890.445158	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+K"	38.963158
"313346"	871.467217	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+H+K"	39.970434
"700295"	1297.208217	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+H+K"	39.970434
"1457033"	445.726217	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H+K"	39.970434
"248918"	1744.997826	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+ACN+H"	42.033826
"1219800"	893.515826	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+ACN+H"	42.033826
"1209833"	447.261551	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+ACN+2H"	43.041102
"203608"	1747.93516	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+2Na-H"	44.97116
"635024"	2599.41716	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+2Na-H"	44.97116
"1146685"	896.45316	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2Na-H"	44.97116
"182920"	874.471218	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+2Na"	45.978436
"625396"	1300.212218	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+2Na"	45.978436
"1127811"	448.730218	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2Na"	45.978436
"1410966"	299.489237333333	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H+2Na"	46.985712
"1435064"	898.494746	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H+HCOOH"	47.012746
"228409"	879.50424	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+3H2O+2H"	56.04448
"1520849"	912.54679	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+IsoProp+H"	61.06479
"419803"	882.458188	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+Na+K"	61.952376
"780439"	1308.199188	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+Na+K"	61.952376
"1676043"	456.717188	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Na+K"	61.952376
"266825"	1766.979768	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+ACN+Na"	64.015768
"1241294"	915.497768	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+ACN+Na"	64.015768
"1727938"	915.521293	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+NH4+HCOOH"	64.039293
"1192802"	306.816551333333	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+3Na"	68.967654
"1665252"	920.476688	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Na+HCOOH"	68.994688
"171865"	1779.88304	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+2K-H"	76.91904
"611546"	2631.36504	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+2K-H"	76.91904
"1099832"	928.40104	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2K-H"	76.91904
"157085"	890.445158	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"2M+2K"	77.926316
"597074"	1316.186158	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"3M+2K"	77.926316
"1080341"	464.704158	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2K"	77.926316
"1114038"	930.415592	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2K+H"	78.933592
"1345560"	930.503207	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+DMSO+H"	79.021207
"1012998"	934.542376	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2ACN+H"	83.060376
"1532215"	935.536008	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+IsoProp+Na+H"	84.054008
"993559"	467.774826	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+2ACN+2H"	84.067652
"1590249"	936.450628	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+K+HCOOH"	84.968628
"1421016"	966.482138	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+H+CF3COOH"	115.000138
"1148021"	488.288101	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+3ACN+2H"	125.094202
"1705229"	983.508685	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+NH4+CF3COOH"	132.026685
"1636506"	988.46408	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+Na+CF3COOH"	136.98208
"1572279"	1004.43802	"C15729"	"Chivosazole B"	"C48H69NO12"	"851.482"	"M+K+CF3COOH"	152.95602
"807994"	837.4663	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M"	0
"977151"	818.44791	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-H2O-H"	-19.01839
"65395"	557.303590666667	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M-3H"	-3.021828
"504345"	836.459024	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M-3H"	-3.021828
"886039"	278.148157333333	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-3H"	-3.021828
"12998"	836.459024	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M-2H"	-2.014552
"447458"	1255.192174	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M-2H"	-2.014552
"825259"	417.725874	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-2H"	-2.014552
"84157"	1673.925324	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M-H"	-1.007276
"525905"	2511.391624	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M-H"	-1.007276
"901519"	836.459024	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-H"	-1.007276
"50793"	1690.951871	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M-2H+NH4"	16.019271
"492175"	2528.418171	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M-2H+NH4"	16.019271
"879744"	853.485571	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-2H+NH4"	16.019271
"47049"	1695.907266	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M-2H+Na"	20.974666
"485466"	2533.373566	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M-2H+Na"	20.974666
"862417"	858.440966	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-2H+Na"	20.974666
"1626966"	858.440966	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Na-2H"	20.974666
"108970"	854.447363	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M-H+Cl"	33.962126
"547800"	1273.180513	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M-H+Cl"	33.962126
"941557"	435.714213	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-H+Cl"	33.962126
"280113"	1709.902002	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+Cl"	34.969402
"673751"	2547.368302	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+Cl"	34.969402
"1286643"	872.435702	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Cl"	34.969402
"27980"	1711.881206	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M-2H+K"	36.948606
"468637"	2549.347506	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M-2H+K"	36.948606
"846438"	874.414906	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-2H+K"	36.948606
"1561179"	874.414906	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+K-2H"	36.948606
"945780"	882.464494	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-H+HCOOH"	44.998194
"365090"	1719.930801	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+HCOOH-H"	44.998201
"353349"	1733.946451	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+Hac-H"	59.013851
"1501087"	896.480151	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Hac-H"	59.013851
"962069"	904.446451	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-H+NaCOOH"	66.980151
"116443"	872.435702	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+2Cl"	69.938804
"551265"	1291.168852	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+2Cl"	69.938804
"1022250"	453.702552	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2Cl"	69.938804
"1243287"	916.385185	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Br"	78.918885
"1313387"	918.441172	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Cl+HCOOH"	80.974872
"1329790"	940.423129	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Cl+NaCOOH"	102.956829
"918662"	950.451886	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M-H+CF3COOH"	112.985586
"1299749"	986.428564	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Cl+CF3COOH"	148.962264
"1373537"	802.453624	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H-2H2O"	-35.012676
"1395406"	820.4636	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H-H2O"	-17.0027
"296185"	1675.939876	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+H"	1.007276
"689699"	2513.406176	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+H"	1.007276
"1362768"	838.473576	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H"	1.007276
"126792"	838.473576	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+2H"	2.014552
"566227"	1257.206726	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+2H"	2.014552
"1038431"	419.740426	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2H"	2.014552
"204994"	559.318142666667	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+3H"	3.021828
"650391"	838.473576	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+3H"	3.021828
"1169609"	280.162709333333	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+3H"	3.021828
"428508"	1692.966423	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+NH4"	18.033823
"790596"	2530.432723	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+NH4"	18.033823
"1682793"	855.500123	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+NH4"	18.033823
"333015"	846.9868495	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+H+NH4"	19.041099
"729083"	1265.7199995	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+H+NH4"	19.041099
"1482539"	428.2536995	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H+NH4"	19.041099
"397572"	1697.921818	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+Na"	22.989218
"758935"	2535.388118	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+Na"	22.989218
"1604120"	860.455518	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Na"	22.989218
"318167"	849.464547	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+H+Na"	23.996494
"712774"	1268.197697	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+H+Na"	23.996494
"1468779"	430.731397	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H+Na"	23.996494
"1057651"	287.490023333333	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2H+Na"	25.00377
"1258238"	870.499786	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+CH3OH+H"	33.033486
"391770"	1713.895758	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+K"	38.963158
"748754"	2551.362058	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+K"	38.963158
"1554948"	876.429458	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+K"	38.963158
"312606"	857.451517	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+H+K"	39.970434
"700405"	1276.184667	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+H+K"	39.970434
"1458967"	438.718367	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H+K"	39.970434
"247935"	1716.966426	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+ACN+H"	42.033826
"1219910"	879.500126	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+ACN+H"	42.033826
"1208786"	440.253701	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+ACN+2H"	43.041102
"203475"	1719.90376	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+2Na-H"	44.97116
"635134"	2557.37006	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+2Na-H"	44.97116
"1146431"	882.43746	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2Na-H"	44.97116
"181936"	860.455518	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+2Na"	45.978436
"625144"	1279.188668	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+2Na"	45.978436
"1127553"	441.722368	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2Na"	45.978436
"1411808"	294.817337333333	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H+2Na"	46.985712
"1438454"	884.479046	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H+HCOOH"	47.012746
"228153"	865.48854	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+3H2O+2H"	56.04448
"1521688"	898.53109	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+IsoProp+H"	61.06479
"420279"	868.442488	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+Na+K"	61.952376
"783100"	1287.175638	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+Na+K"	61.952376
"1677246"	449.709338	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Na+K"	61.952376
"266696"	1738.948368	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+ACN+Na"	64.015768
"1240985"	901.482068	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+ACN+Na"	64.015768
"1727561"	901.505593	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+NH4+HCOOH"	64.039293
"1192184"	302.144651333333	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+3Na"	68.967654
"1665319"	906.460988	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Na+HCOOH"	68.994688
"171975"	1751.85164	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+2K-H"	76.91904
"612021"	2589.31794	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+2K-H"	76.91904
"1099697"	914.38534	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2K-H"	76.91904
"157116"	876.429458	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"2M+2K"	77.926316
"596432"	1295.162608	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"3M+2K"	77.926316
"1079358"	457.696308	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2K"	77.926316
"1113419"	916.399892	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2K+H"	78.933592
"1345670"	916.487507	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+DMSO+H"	79.021207
"1013108"	920.526676	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2ACN+H"	83.060376
"1532325"	921.520308	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+IsoProp+Na+H"	84.054008
"996585"	460.766976	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+2ACN+2H"	84.067652
"1590359"	922.434928	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+K+HCOOH"	84.968628
"1420033"	952.466438	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+H+CF3COOH"	115.000138
"1150683"	481.280251	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+3ACN+2H"	125.094202
"1706432"	969.492985	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+NH4+CF3COOH"	132.026685
"1638802"	974.44838	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+Na+CF3COOH"	136.98208
"1573361"	990.42232	"C15730"	"Chivosazole C"	"C47H67NO12"	"837.4663"	"M+K+CF3COOH"	152.95602
"804824"	837.4663	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M"	0
"975439"	818.44791	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-H2O-H"	-19.01839
"64411"	557.303590666667	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M-3H"	-3.021828
"504697"	836.459024	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M-3H"	-3.021828
"883233"	278.148157333333	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-3H"	-3.021828
"13108"	836.459024	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M-2H"	-2.014552
"447566"	1255.192174	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M-2H"	-2.014552
"822089"	417.725874	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-2H"	-2.014552
"82080"	1673.925324	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M-H"	-1.007276
"522734"	2511.391624	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M-H"	-1.007276
"900536"	836.459024	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-H"	-1.007276
"51632"	1690.951871	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M-2H+NH4"	16.019271
"491192"	2528.418171	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M-2H+NH4"	16.019271
"879091"	853.485571	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-2H+NH4"	16.019271
"46134"	1695.907266	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M-2H+Na"	20.974666
"485982"	2533.373566	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M-2H+Na"	20.974666
"863501"	858.440966	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-2H+Na"	20.974666
"1629262"	858.440966	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Na-2H"	20.974666
"108472"	854.447363	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M-H+Cl"	33.962126
"548880"	1273.180513	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M-H+Cl"	33.962126
"942031"	435.714213	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-H+Cl"	33.962126
"280708"	1709.902002	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+Cl"	34.969402
"674102"	2547.368302	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+Cl"	34.969402
"1284440"	872.435702	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Cl"	34.969402
"25902"	1711.881206	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M-2H+K"	36.948606
"468746"	2549.347506	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M-2H+K"	36.948606
"842174"	874.414906	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-2H+K"	36.948606
"1560194"	874.414906	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+K-2H"	36.948606
"943820"	882.464494	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-H+HCOOH"	44.998194
"365199"	1719.930801	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+HCOOH-H"	44.998201
"354551"	1733.946451	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+Hac-H"	59.013851
"1494027"	896.480151	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Hac-H"	59.013851
"963272"	904.446451	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-H+NaCOOH"	66.980151
"115459"	872.435702	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+2Cl"	69.938804
"553196"	1291.168852	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+2Cl"	69.938804
"1021748"	453.702552	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2Cl"	69.938804
"1247769"	916.385185	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Br"	78.918885
"1310217"	918.441172	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Cl+HCOOH"	80.974872
"1326619"	940.423129	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Cl+NaCOOH"	102.956829
"918772"	950.451886	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M-H+CF3COOH"	112.985586
"1299858"	986.428564	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Cl+CF3COOH"	148.962264
"1376926"	802.453624	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H-2H2O"	-35.012676
"1393330"	820.4636	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H-H2O"	-17.0027
"289734"	1675.939876	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+H"	1.007276
"679238"	2513.406176	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+H"	1.007276
"1353762"	838.473576	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H"	1.007276
"127383"	838.473576	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+2H"	2.014552
"566579"	1257.206726	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+2H"	2.014552
"1040481"	419.740426	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2H"	2.014552
"206199"	559.318142666667	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+3H"	3.021828
"649769"	838.473576	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+3H"	3.021828
"1167531"	280.162709333333	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+3H"	3.021828
"427157"	1692.966423	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+NH4"	18.033823
"787054"	2530.432723	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+NH4"	18.033823
"1683024"	855.500123	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+NH4"	18.033823
"331663"	846.9868495	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+H+NH4"	19.041099
"726275"	1265.7199995	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+H+NH4"	19.041099
"1481190"	428.2536995	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H+NH4"	19.041099
"396223"	1697.921818	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+Na"	22.989218
"756856"	2535.388118	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+Na"	22.989218
"1604959"	860.455518	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Na"	22.989218
"315482"	849.464547	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+H+Na"	23.996494
"713977"	1268.197697	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+H+Na"	23.996494
"1468889"	430.731397	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H+Na"	23.996494
"1057761"	287.490023333333	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2H+Na"	25.00377
"1259440"	870.499786	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+CH3OH+H"	33.033486
"388232"	1713.895758	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+K"	38.963158
"748864"	2551.362058	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+K"	38.963158
"1555345"	876.429458	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+K"	38.963158
"313565"	857.451517	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+H+K"	39.970434
"699422"	1276.184667	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+H+K"	39.970434
"1458713"	438.718367	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H+K"	39.970434
"246218"	1716.966426	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+ACN+H"	42.033826
"1217834"	879.500126	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+ACN+H"	42.033826
"1209884"	440.253701	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+ACN+2H"	43.041102
"200058"	1719.90376	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+2Na-H"	44.97116
"636337"	2557.37006	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+2Na-H"	44.97116
"1146420"	882.43746	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2Na-H"	44.97116
"184961"	860.455518	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+2Na"	45.978436
"626350"	1279.188668	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+2Na"	45.978436
"1129487"	441.722368	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2Na"	45.978436
"1410819"	294.817337333333	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H+2Na"	46.985712
"1443665"	884.479046	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H+HCOOH"	47.012746
"233726"	865.48854	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+3H2O+2H"	56.04448
"1513043"	898.53109	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+IsoProp+H"	61.06479
"419659"	868.442488	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+Na+K"	61.952376
"782847"	1287.175638	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+Na+K"	61.952376
"1678087"	449.709338	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Na+K"	61.952376
"266683"	1738.948368	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+ACN+Na"	64.015768
"1240923"	901.482068	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+ACN+Na"	64.015768
"1727913"	901.505593	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+NH4+HCOOH"	64.039293
"1192294"	302.144651333333	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+3Na"	68.967654
"1665105"	906.460988	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Na+HCOOH"	68.994688
"171234"	1751.85164	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+2K-H"	76.91904
"609701"	2589.31794	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+2K-H"	76.91904
"1099685"	914.38534	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2K-H"	76.91904
"157018"	876.429458	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"2M+2K"	77.926316
"597039"	1295.162608	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"3M+2K"	77.926316
"1079469"	457.696308	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2K"	77.926316
"1112678"	916.399892	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2K+H"	78.933592
"1345781"	916.487507	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+DMSO+H"	79.021207
"1013218"	920.526676	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2ACN+H"	83.060376
"1531342"	921.520308	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+IsoProp+Na+H"	84.054008
"995602"	460.766976	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+2ACN+2H"	84.067652
"1590469"	922.434928	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+K+HCOOH"	84.968628
"1420143"	952.466438	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+H+CF3COOH"	115.000138
"1148971"	481.280251	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+3ACN+2H"	125.094202
"1705449"	969.492985	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+NH4+CF3COOH"	132.026685
"1634540"	974.44838	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+Na+CF3COOH"	136.98208
"1572378"	990.42232	"C15731"	"Chivosazole D"	"C47H67NO12"	"837.4663"	"M+K+CF3COOH"	152.95602
"804934"	823.4507	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M"	0
"975547"	804.43231	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-H2O-H"	-19.01839
"63548"	547.959857333333	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M-3H"	-3.021828
"508453"	822.443424	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M-3H"	-3.021828
"886258"	273.476290666667	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-3H"	-3.021828
"7021"	822.443424	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M-2H"	-2.014552
"452050"	1234.168774	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M-2H"	-2.014552
"825477"	410.718074	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-2H"	-2.014552
"83283"	1645.894124	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M-H"	-1.007276
"520656"	2469.344824	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M-H"	-1.007276
"898459"	822.443424	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-H"	-1.007276
"52833"	1662.920671	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M-2H+NH4"	16.019271
"491302"	2486.371371	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M-2H+NH4"	16.019271
"879607"	839.469971	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-2H+NH4"	16.019271
"45393"	1667.876066	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M-2H+Na"	20.974666
"480943"	2491.326766	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M-2H+Na"	20.974666
"863528"	844.425366	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-2H+Na"	20.974666
"1628279"	844.425366	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Na-2H"	20.974666
"109595"	840.431763	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M-H+Cl"	33.962126
"548624"	1252.157113	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M-H+Cl"	33.962126
"940074"	428.706413	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-H+Cl"	33.962126
"280818"	1681.870802	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+Cl"	34.969402
"674212"	2505.321502	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+Cl"	34.969402
"1286617"	858.420102	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Cl"	34.969402
"27106"	1683.850006	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M-2H+K"	36.948606
"467762"	2507.300706	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M-2H+K"	36.948606
"842284"	860.399306	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-2H+K"	36.948606
"1560304"	860.399306	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+K-2H"	36.948606
"943447"	868.448894	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-H+HCOOH"	44.998194
"361782"	1691.899601	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+HCOOH-H"	44.998201
"351381"	1705.915251	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+Hac-H"	59.013851
"1497296"	882.464551	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Hac-H"	59.013851
"963382"	890.430851	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-H+NaCOOH"	66.980151
"114476"	858.420102	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+2Cl"	69.938804
"552213"	1270.145452	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+2Cl"	69.938804
"1022831"	446.694752	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2Cl"	69.938804
"1247879"	902.369585	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Br"	78.918885
"1310327"	904.425572	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Cl+HCOOH"	80.974872
"1326729"	926.407529	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Cl+NaCOOH"	102.956829
"918882"	936.436286	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M-H+CF3COOH"	112.985586
"1301063"	972.412964	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Cl+CF3COOH"	148.962264
"1379223"	788.438024	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H-2H2O"	-35.012676
"1394534"	806.448	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H-H2O"	-17.0027
"289844"	1647.908676	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+H"	1.007276
"679348"	2471.359376	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+H"	1.007276
"1354603"	824.457976	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H"	1.007276
"127494"	824.457976	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+2H"	2.014552
"571432"	1236.183326	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+2H"	2.014552
"1045335"	412.732626	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2H"	2.014552
"206308"	549.974409333333	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+3H"	3.021828
"653887"	824.457976	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+3H"	3.021828
"1167638"	275.490842666667	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+3H"	3.021828
"428725"	1664.935223	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+NH4"	18.033823
"790448"	2488.385923	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+NH4"	18.033823
"1684957"	841.484523	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+NH4"	18.033823
"333598"	832.9712495	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+H+NH4"	19.041099
"730030"	1244.6965995	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+H+NH4"	19.041099
"1483853"	421.2458995	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H+NH4"	19.041099
"397792"	1669.890618	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+Na"	22.989218
"756968"	2493.341318	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+Na"	22.989218
"1609443"	846.439918	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Na"	22.989218
"317293"	835.448947	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+H+Na"	23.996494
"714087"	1247.174297	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+H+Na"	23.996494
"1471186"	423.723597	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H+Na"	23.996494
"1058965"	282.818156666667	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2H+Na"	25.00377
"1260644"	856.484186	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+CH3OH+H"	33.033486
"387977"	1685.864558	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+K"	38.963158
"748974"	2509.315258	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+K"	38.963158
"1555508"	862.413858	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+K"	38.963158
"313675"	843.435917	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+H+K"	39.970434
"700625"	1255.161267	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+H+K"	39.970434
"1455538"	431.710567	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H+K"	39.970434
"243048"	1688.935226	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+ACN+H"	42.033826
"1217942"	865.484526	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+ACN+H"	42.033826
"1209123"	433.245901	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+ACN+2H"	43.041102
"200168"	1691.87256	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+2Na-H"	44.97116
"636447"	2515.32326	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+2Na-H"	44.97116
"1138860"	868.42186	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2Na-H"	44.97116
"184342"	846.439918	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+2Na"	45.978436
"627063"	1258.165268	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+2Na"	45.978436
"1130207"	434.714568	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2Na"	45.978436
"1410929"	290.145470666667	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H+2Na"	46.985712
"1443044"	870.463446	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H+HCOOH"	47.012746
"230555"	851.47294	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+3H2O+2H"	56.04448
"1515339"	884.51549	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+IsoProp+H"	61.06479
"419768"	854.426888	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+Na+K"	61.952376
"781497"	1266.152238	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+Na+K"	61.952376
"1677470"	442.701538	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Na+K"	61.952376
"266178"	1710.917168	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+ACN+Na"	64.015768
"1240709"	887.466468	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+ACN+Na"	64.015768
"1728267"	887.489993	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+NH4+HCOOH"	64.039293
"1193906"	297.472784666667	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+3Na"	68.967654
"1664112"	892.445388	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Na+HCOOH"	68.994688
"171587"	1723.82044	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+2K-H"	76.91904
"612323"	2547.27114	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+2K-H"	76.91904
"1099835"	900.36974	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2K-H"	76.91904
"156976"	862.413858	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"2M+2K"	77.926316
"593973"	1274.139208	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"3M+2K"	77.926316
"1080669"	450.688508	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2K"	77.926316
"1112788"	902.384292	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2K+H"	78.933592
"1345891"	902.471907	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+DMSO+H"	79.021207
"1013328"	906.511076	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2ACN+H"	83.060376
"1531452"	907.504708	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+IsoProp+Na+H"	84.054008
"998992"	453.759176	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+2ACN+2H"	84.067652
"1593495"	908.419328	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+K+HCOOH"	84.968628
"1420253"	938.450838	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+H+CF3COOH"	115.000138
"1148717"	474.272451	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+3ACN+2H"	125.094202
"1705559"	955.477385	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+NH4+CF3COOH"	132.026685
"1635743"	960.43278	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+Na+CF3COOH"	136.98208
"1572488"	976.40672	"C15732"	"Chivosazole E"	"C46H65NO12"	"823.4507"	"M+K+CF3COOH"	152.95602
"801764"	691.4084	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M"	0
"975657"	672.39001	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-H2O-H"	-19.01839
"63060"	459.931657333333	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M-3H"	-3.021828
"505283"	690.401124	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M-3H"	-3.021828
"886368"	229.462190666667	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-3H"	-3.021828
"8224"	690.401124	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M-2H"	-2.014552
"455118"	1036.105324	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M-2H"	-2.014552
"826680"	344.696924	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-2H"	-2.014552
"87766"	1381.809524	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M-H"	-1.007276
"526233"	2073.217924	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M-H"	-1.007276
"902943"	690.401124	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-H"	-1.007276
"56224"	1398.836071	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M-2H+NH4"	16.019271
"494692"	2090.244471	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M-2H+NH4"	16.019271
"877725"	707.427671	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-2H+NH4"	16.019271
"44775"	1403.791466	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M-2H+Na"	20.974666
"483605"	2095.199866	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M-2H+Na"	20.974666
"859220"	712.383066	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-2H+Na"	20.974666
"1629848"	712.383066	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Na-2H"	20.974666
"106015"	708.389463	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M-H+Cl"	33.962126
"543388"	1054.093663	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M-H+Cl"	33.962126
"931434"	362.685263	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-H+Cl"	33.962126
"275458"	1417.786202	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+Cl"	34.969402
"673350"	2109.194602	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+Cl"	34.969402
"1287213"	726.377802	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Cl"	34.969402
"27216"	1419.765406	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M-2H+K"	36.948606
"467872"	2111.173806	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M-2H+K"	36.948606
"843488"	728.357006	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-2H+K"	36.948606
"1563694"	728.357006	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+K-2H"	36.948606
"946109"	736.406594	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-H+HCOOH"	44.998194
"363230"	1427.815001	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+HCOOH-H"	44.998201
"351491"	1441.830651	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+Hac-H"	59.013851
"1500322"	750.422251	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Hac-H"	59.013851
"963492"	758.388551	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-H+NaCOOH"	66.980151
"114586"	726.377802	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+2Cl"	69.938804
"551594"	1072.082002	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+2Cl"	69.938804
"1025130"	380.673602	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2Cl"	69.938804
"1249082"	770.327285	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Br"	78.918885
"1311530"	772.383272	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Cl+HCOOH"	80.974872
"1326839"	794.365229	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Cl+NaCOOH"	102.956829
"920085"	804.393986	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M-H+CF3COOH"	112.985586
"1301173"	840.370664	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Cl+CF3COOH"	148.962264
"1379334"	656.395724	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H-2H2O"	-35.012676
"1395737"	674.4057	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H-H2O"	-17.0027
"289954"	1383.824076	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+H"	1.007276
"678365"	2075.232476	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+H"	1.007276
"1354349"	692.415676	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H"	1.007276
"129066"	692.415676	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+2H"	2.014552
"572271"	1038.119876	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+2H"	2.014552
"1046538"	346.711476	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2H"	2.014552
"215531"	461.946209333333	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+3H"	3.021828
"652905"	692.415676	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+3H"	3.021828
"1172122"	231.476742666667	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+3H"	3.021828
"426647"	1400.850623	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+NH4"	18.033823
"792017"	2092.259023	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+NH4"	18.033823
"1685795"	709.442223	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+NH4"	18.033823
"333708"	700.9289495	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+H+NH4"	19.041099
"726858"	1046.6331495	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+H+NH4"	19.041099
"1482869"	355.2247495	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H+NH4"	19.041099
"399361"	1405.806018	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+Na"	22.989218
"758171"	2097.214418	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+Na"	22.989218
"1610647"	714.397618	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Na"	22.989218
"319590"	703.406647	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+H+Na"	23.996494
"713104"	1049.110847	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+H+Na"	23.996494
"1469110"	357.702447	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H+Na"	23.996494
"1057981"	238.804056666667	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2H+Na"	25.00377
"1259662"	724.441886	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+CH3OH+H"	33.033486
"387723"	1421.779958	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+K"	38.963158
"749084"	2113.188358	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+K"	38.963158
"1555494"	730.371558	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+K"	38.963158
"313418"	711.393617	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+H+K"	39.970434
"700735"	1057.097817	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+H+K"	39.970434
"1452368"	365.689417	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H+K"	39.970434
"243158"	1424.850626	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+ACN+H"	42.033826
"1220238"	733.442226	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+ACN+H"	42.033826
"1208869"	367.224751	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+ACN+2H"	43.041102
"199185"	1427.78796	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+2Na-H"	44.97116
"636557"	2119.19636	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+2Na-H"	44.97116
"1137877"	736.37956	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2Na-H"	44.97116
"181173"	714.397618	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+2Na"	45.978436
"624014"	1060.101818	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+2Na"	45.978436
"1127153"	368.693418	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2Na"	45.978436
"1406666"	246.131370666667	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H+2Na"	46.985712
"1442062"	738.421146	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H+HCOOH"	47.012746
"227384"	719.43064	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+3H2O+2H"	56.04448
"1512896"	752.47319	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+IsoProp+H"	61.06479
"417691"	722.384588	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+Na+K"	61.952376
"781605"	1068.088788	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+Na+K"	61.952376
"1679402"	376.680388	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Na+K"	61.952376
"266167"	1446.832568	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+ACN+Na"	64.015768
"1238267"	755.424168	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+ACN+Na"	64.015768
"1728301"	755.447693	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+NH4+HCOOH"	64.039293
"1193940"	253.458684666667	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+3Na"	68.967654
"1665073"	760.403088	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Na+HCOOH"	68.994688
"172598"	1459.73584	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+2K-H"	76.91904
"612763"	2151.14424	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+2K-H"	76.91904
"1099739"	768.32744	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2K-H"	76.91904
"157047"	730.371558	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"2M+2K"	77.926316
"592990"	1076.075758	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"3M+2K"	77.926316
"1080416"	384.667358	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2K"	77.926316
"1113991"	770.341992	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2K+H"	78.933592
"1348187"	770.429607	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+DMSO+H"	79.021207
"1013438"	774.468776	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2ACN+H"	83.060376
"1531562"	775.462408	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+IsoProp+Na+H"	84.054008
"995822"	387.738026	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+2ACN+2H"	84.067652
"1593605"	776.377028	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+K+HCOOH"	84.968628
"1419268"	806.408538	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+H+CF3COOH"	115.000138
"1149556"	408.251301	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+3ACN+2H"	125.094202
"1708949"	823.435085	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+NH4+CF3COOH"	132.026685
"1635853"	828.39048	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+Na+CF3COOH"	136.98208
"1572598"	844.36442	"C15733"	"Chivosazole F"	"C41H57NO8"	"691.4084"	"M+K+CF3COOH"	152.95602
"805154"	742.3295	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M"	0
"977590"	723.31111	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-H2O-H"	-19.01839
"66927"	493.879057333333	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M-3H"	-3.021828
"506486"	741.322224	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M-3H"	-3.021828
"890852"	246.435890666667	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-3H"	-3.021828
"11614"	741.322224	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M-2H"	-2.014552
"455067"	1112.486974	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M-2H"	-2.014552
"831654"	370.157474	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-2H"	-2.014552
"91156"	1483.651724	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M-H"	-1.007276
"529625"	2225.981224	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M-H"	-1.007276
"907426"	741.322224	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-H"	-1.007276
"56334"	1500.678271	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M-2H+NH4"	16.019271
"500268"	2243.007771	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M-2H+NH4"	16.019271
"874794"	758.348771	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-2H+NH4"	16.019271
"42694"	1505.633666	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M-2H+Na"	20.974666
"481163"	2247.963166	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M-2H+Na"	20.974666
"859330"	763.304166	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-2H+Na"	20.974666
"1629229"	763.304166	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Na-2H"	20.974666
"103938"	759.310563	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M-H+Cl"	33.962126
"539124"	1130.475313	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M-H+Cl"	33.962126
"931544"	388.145813	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-H+Cl"	33.962126
"272287"	1519.628402	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+Cl"	34.969402
"665801"	2261.957902	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+Cl"	34.969402
"1279300"	777.298902	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Cl"	34.969402
"21858"	1521.607606	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M-2H+K"	36.948606
"467982"	2263.937106	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M-2H+K"	36.948606
"838131"	779.278106	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-2H+K"	36.948606
"1564897"	779.278106	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+K-2H"	36.948606
"951686"	787.327694	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-H+HCOOH"	44.998194
"363704"	1529.657201	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+HCOOH-H"	44.998201
"351601"	1543.672851	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+Hac-H"	59.013851
"1497516"	801.343351	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Hac-H"	59.013851
"963602"	809.309651	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-H+NaCOOH"	66.980151
"114696"	777.298902	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+2Cl"	69.938804
"552433"	1148.463652	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+2Cl"	69.938804
"1026334"	406.134152	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2Cl"	69.938804
"1250286"	821.248385	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Br"	78.918885
"1313827"	823.304372	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Cl+HCOOH"	80.974872
"1326949"	845.286329	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Cl+NaCOOH"	102.956829
"920195"	855.315086	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M-H+CF3COOH"	112.985586
"1303106"	891.291764	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Cl+CF3COOH"	148.962264
"1376163"	707.316824	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H-2H2O"	-35.012676
"1394753"	725.3268	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H-H2O"	-17.0027
"290064"	1485.666276	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+H"	1.007276
"678110"	2227.995776	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+H"	1.007276
"1356646"	743.336776	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H"	1.007276
"133915"	743.336776	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+2H"	2.014552
"578942"	1114.501526	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+2H"	2.014552
"1048835"	372.172026	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2H"	2.014552
"215641"	495.893609333333	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+3H"	3.021828
"654108"	743.336776	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+3H"	3.021828
"1170409"	248.450442666667	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+3H"	3.021828
"426757"	1502.692823	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+NH4"	18.033823
"789939"	2245.022323	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+NH4"	18.033823
"1687362"	760.363323	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+NH4"	18.033823
"335642"	751.8500495	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+H+NH4"	19.041099
"729156"	1123.0147995	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+H+NH4"	19.041099
"1480061"	380.6852995	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H+NH4"	19.041099
"395095"	1507.648218	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+Na"	22.989218
"759375"	2249.977718	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+Na"	22.989218
"1614037"	765.318718	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Na"	22.989218
"322981"	754.327747	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+H+Na"	23.996494
"712120"	1125.492497	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+H+Na"	23.996494
"1468126"	383.162997	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H+Na"	23.996494
"1060278"	255.777756666667	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2H+Na"	25.00377
"1260866"	775.362986	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+CH3OH+H"	33.033486
"384916"	1523.622158	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+K"	38.963158
"750288"	2265.951658	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+K"	38.963158
"1554901"	781.292658	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+K"	38.963158
"310615"	762.314717	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+H+K"	39.970434
"700845"	1133.479467	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+H+K"	39.970434
"1452478"	391.149967	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H+K"	39.970434
"238894"	1526.692826	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+ACN+H"	42.033826
"1220348"	784.363326	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+ACN+H"	42.033826
"1209593"	392.685301	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+ACN+2H"	43.041102
"199295"	1529.63016	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+2Na-H"	44.97116
"637760"	2271.95966	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+2Na-H"	44.97116
"1141267"	787.30066	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2Na-H"	44.97116
"186752"	765.318718	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+2Na"	45.978436
"625951"	1136.483468	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+2Na"	45.978436
"1129209"	394.153968	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2Na"	45.978436
"1411150"	263.105070666667	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H+2Na"	46.985712
"1443265"	789.342246	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H+HCOOH"	47.012746
"226401"	770.35174	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+3H2O+2H"	56.04448
"1521024"	803.39429	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+IsoProp+H"	61.06479
"415246"	773.305688	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+Na+K"	61.952376
"780621"	1144.470438	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+Na+K"	61.952376
"1679145"	402.140938	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Na+K"	61.952376
"264941"	1548.674768	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+ACN+Na"	64.015768
"1238742"	806.345268	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+ACN+Na"	64.015768
"1727391"	806.368793	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+NH4+HCOOH"	64.039293
"1194169"	270.432384666667	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+3Na"	68.967654
"1664941"	811.324188	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Na+HCOOH"	68.994688
"172705"	1561.57804	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+2K-H"	76.91904
"612508"	2303.90754	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+2K-H"	76.91904
"1099730"	819.24854	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2K-H"	76.91904
"155485"	781.292658	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"2M+2K"	77.926316
"594192"	1152.457408	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"3M+2K"	77.926316
"1076516"	410.127908	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2K"	77.926316
"1113734"	821.263092	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2K+H"	78.933592
"1346110"	821.350707	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+DMSO+H"	79.021207
"1013548"	825.389876	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2ACN+H"	83.060376
"1529485"	826.383508	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+IsoProp+Na+H"	84.054008
"995932"	413.198576	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+2ACN+2H"	84.067652
"1592621"	827.298128	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+K+HCOOH"	84.968628
"1421565"	857.329638	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+H+CF3COOH"	115.000138
"1151853"	433.711851	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+3ACN+2H"	125.094202
"1705779"	874.356185	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+NH4+CF3COOH"	132.026685
"1638150"	879.31158	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+Na+CF3COOH"	136.98208
"1572708"	895.28552	"C15734"	"Patellamide A"	"C35H50N8O6S2"	"742.3295"	"M+K+CF3COOH"	152.95602
"805264"	762.2982	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M"	0
"975513"	743.27981	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-H2O-H"	-19.01839
"64850"	507.191524	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M-3H"	-3.021828
"503922"	761.290924	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M-3H"	-3.021828
"890962"	253.092124	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-3H"	-3.021828
"10631"	761.290924	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M-2H"	-2.014552
"453472"	1142.440024	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M-2H"	-2.014552
"827993"	380.141824	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-2H"	-2.014552
"91266"	1523.589124	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M-H"	-1.007276
"533382"	2285.887324	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M-H"	-1.007276
"907536"	761.290924	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-H"	-1.007276
"58631"	1540.615671	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M-2H+NH4"	16.019271
"499286"	2302.913871	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M-2H+NH4"	16.019271
"876727"	778.317471	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-2H+NH4"	16.019271
"39524"	1545.571066	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M-2H+Na"	20.974666
"482365"	2307.869266	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M-2H+Na"	20.974666
"857983"	783.272866	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-2H+Na"	20.974666
"1628610"	783.272866	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Na-2H"	20.974666
"100768"	779.279263	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M-H+Cl"	33.962126
"538141"	1160.428363	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M-H+Cl"	33.962126
"929467"	398.130163	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-H+Cl"	33.962126
"275676"	1559.565802	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+Cl"	34.969402
"665911"	2321.864002	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+Cl"	34.969402
"1276130"	797.267602	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Cl"	34.969402
"23061"	1561.545006	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M-2H+K"	36.948606
"464812"	2323.843206	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M-2H+K"	36.948606
"838241"	799.246806	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-2H+K"	36.948606
"1561727"	799.246806	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+K-2H"	36.948606
"949610"	807.296394	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-H+HCOOH"	44.998194
"362721"	1569.594601	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+HCOOH-H"	44.998201
"351711"	1583.610251	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+Hac-H"	59.013851
"1499449"	821.312051	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Hac-H"	59.013851
"963712"	829.278351	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-H+NaCOOH"	66.980151
"119180"	797.267602	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+2Cl"	69.938804
"554366"	1178.416702	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+2Cl"	69.938804
"1025350"	416.118502	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2Cl"	69.938804
"1249302"	841.217085	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Br"	78.918885
"1313937"	843.273072	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Cl+HCOOH"	80.974872
"1327059"	865.255029	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Cl+NaCOOH"	102.956829
"919212"	875.283786	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M-H+CF3COOH"	112.985586
"1301393"	911.260464	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Cl+CF3COOH"	148.962264
"1377367"	727.285524	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H-2H2O"	-35.012676
"1397050"	745.2955	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H-H2O"	-17.0027
"293455"	1525.603676	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+H"	1.007276
"678220"	2287.901876	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+H"	1.007276
"1356756"	763.305476	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H"	1.007276
"137305"	763.305476	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+2H"	2.014552
"580754"	1144.454576	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+2H"	2.014552
"1050038"	382.156376	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2H"	2.014552
"216845"	509.206076	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+3H"	3.021828
"656404"	763.305476	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+3H"	3.021828
"1169426"	255.106676	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+3H"	3.021828
"429055"	1542.630223	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+NH4"	18.033823
"790048"	2304.928423	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+NH4"	18.033823
"1686379"	780.332023	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+NH4"	18.033823
"334659"	771.8187495	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+H+NH4"	19.041099
"729266"	1152.9678495	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+H+NH4"	19.041099
"1480901"	390.6696495	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H+NH4"	19.041099
"394111"	1547.585618	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+Na"	22.989218
"758392"	2309.883818	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+Na"	22.989218
"1614147"	785.287418	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Na"	22.989218
"323090"	774.296447	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+H+Na"	23.996494
"713324"	1155.445547	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+H+Na"	23.996494
"1466049"	393.147347	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H+Na"	23.996494
"1056012"	262.43399	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2H+Na"	25.00377
"1258662"	795.331686	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+CH3OH+H"	33.033486
"385026"	1563.559558	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+K"	38.963158
"752220"	2325.857758	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+K"	38.963158
"1555011"	801.261358	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+K"	38.963158
"311453"	782.283417	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+H+K"	39.970434
"700955"	1163.432517	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+H+K"	39.970434
"1455868"	401.134317	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H+K"	39.970434
"243378"	1566.630226	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+ACN+H"	42.033826
"1220458"	804.332026	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+ACN+H"	42.033826
"1208612"	402.669651	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+ACN+2H"	43.041102
"199405"	1569.56756	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+2Na-H"	44.97116
"637870"	2331.86576	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+2Na-H"	44.97116
"1141377"	807.26936	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2Na-H"	44.97116
"182486"	785.287418	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+2Na"	45.978436
"626422"	1166.436518	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+2Na"	45.978436
"1127738"	404.138318	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2Na"	45.978436
"1409073"	269.761304	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H+2Na"	46.985712
"1443011"	809.310946	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H+HCOOH"	47.012746
"227605"	790.32044	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+3H2O+2H"	56.04448
"1513481"	823.36299	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+IsoProp+H"	61.06479
"412076"	793.274388	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+Na+K"	61.952376
"777451"	1174.423488	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+Na+K"	61.952376
"1678160"	412.125288	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Na+K"	61.952376
"265779"	1588.612168	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+ACN+Na"	64.015768
"1239581"	826.313968	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+ACN+Na"	64.015768
"1728110"	826.337493	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+NH4+HCOOH"	64.039293
"1193584"	277.088618	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+3Na"	68.967654
"1664687"	831.292888	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Na+HCOOH"	68.994688
"172160"	1601.51544	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+2K-H"	76.91904
"612614"	2363.81364	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+2K-H"	76.91904
"1099390"	839.21724	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2K-H"	76.91904
"155472"	801.261358	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"2M+2K"	77.926316
"592115"	1182.410458	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"3M+2K"	77.926316
"1077719"	420.112258	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2K"	77.926316
"1112022"	841.231792	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2K+H"	78.933592
"1345126"	841.319407	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+DMSO+H"	79.021207
"1013658"	845.358576	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2ACN+H"	83.060376
"1528501"	846.352208	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+IsoProp+Na+H"	84.054008
"997135"	423.182926	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+2ACN+2H"	84.067652
"1590544"	847.266828	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+K+HCOOH"	84.968628
"1421675"	877.298338	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+H+CF3COOH"	115.000138
"1151963"	443.696201	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+3ACN+2H"	125.094202
"1705889"	894.324885	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+NH4+CF3COOH"	132.026685
"1638260"	899.28028	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+Na+CF3COOH"	136.98208
"1573911"	915.25422	"C15735"	"Patellamide C"	"C37H46N8O6S2"	"762.2982"	"M+K+CF3COOH"	152.95602
"808655"	776.3138	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M"	0
"976352"	757.29541	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-H2O-H"	-19.01839
"68241"	516.535257333333	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M-3H"	-3.021828
"503790"	775.306524	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M-3H"	-3.021828
"888886"	257.763990666667	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-3H"	-3.021828
"10741"	775.306524	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M-2H"	-2.014552
"455655"	1163.463424	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M-2H"	-2.014552
"828103"	387.149624	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-2H"	-2.014552
"91012"	1551.620324	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M-H"	-1.007276
"534088"	2327.934124	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M-H"	-1.007276
"907646"	775.306524	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-H"	-1.007276
"58742"	1568.646871	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M-2H+NH4"	16.019271
"498303"	2344.960671	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M-2H+NH4"	16.019271
"876474"	792.333071	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-2H+NH4"	16.019271
"41821"	1573.602266	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M-2H+Na"	20.974666
"482475"	2349.916066	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M-2H+Na"	20.974666
"862832"	797.288466	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-2H+Na"	20.974666
"1630906"	797.288466	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Na-2H"	20.974666
"100879"	793.294863	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M-H+Cl"	33.962126
"539346"	1181.451763	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M-H+Cl"	33.962126
"930672"	405.137963	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-H+Cl"	33.962126
"279797"	1587.597002	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+Cl"	34.969402
"666021"	2363.910802	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+Cl"	34.969402
"1279520"	811.283202	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Cl"	34.969402
"23171"	1589.576206	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M-2H+K"	36.948606
"464922"	2365.890006	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M-2H+K"	36.948606
"838351"	813.262406	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-2H+K"	36.948606
"1561837"	813.262406	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+K-2H"	36.948606
"951906"	821.311994	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-H+HCOOH"	44.998194
"366111"	1597.625801	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+HCOOH-H"	44.998201
"348541"	1611.641451	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+Hac-H"	59.013851
"1501746"	835.327651	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Hac-H"	59.013851
"964186"	843.293951	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-H+NaCOOH"	66.980151
"116010"	811.283202	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+2Cl"	69.938804
"553384"	1199.440102	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+2Cl"	69.938804
"1029836"	423.126302	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2Cl"	69.938804
"1248320"	855.232685	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Br"	78.918885
"1317328"	857.288672	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Cl+HCOOH"	80.974872
"1330450"	879.270629	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Cl+NaCOOH"	102.956829
"919322"	889.299386	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M-H+CF3COOH"	112.985586
"1301868"	925.276064	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Cl+CF3COOH"	148.962264
"1381004"	741.301124	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H-2H2O"	-35.012676
"1396433"	759.3111	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H-H2O"	-17.0027
"295389"	1553.634876	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+H"	1.007276
"682705"	2329.948676	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+H"	1.007276
"1356866"	777.321076	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H"	1.007276
"136322"	777.321076	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+2H"	2.014552
"576976"	1165.477976	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+2H"	2.014552
"1047961"	389.164176	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2H"	2.014552
"216955"	518.549809333333	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+3H"	3.021828
"653234"	777.321076	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+3H"	3.021828
"1169173"	259.778542666667	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+3H"	3.021828
"430989"	1570.661423	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+NH4"	18.033823
"789431"	2346.975223	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+NH4"	18.033823
"1685398"	794.347623	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+NH4"	18.033823
"334039"	785.8343495	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+H+NH4"	19.041099
"725734"	1173.9912495	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+H+NH4"	19.041099
"1478459"	397.6774495	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H+NH4"	19.041099
"394586"	1575.616818	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+Na"	22.989218
"754851"	2351.930618	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+Na"	22.989218
"1602995"	799.303018	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Na"	22.989218
"316639"	788.312047	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+H+Na"	23.996494
"710153"	1176.468947	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+H+Na"	23.996494
"1462874"	400.155147	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H+Na"	23.996494
"1053569"	267.105856666667	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2H+Na"	25.00377
"1258284"	809.347286	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+CH3OH+H"	33.033486
"385136"	1591.590758	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+K"	38.963158
"750508"	2367.904558	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+K"	38.963158
"1552562"	815.276958	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+K"	38.963158
"312655"	796.299017	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+H+K"	39.970434
"704345"	1184.455917	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+H+K"	39.970434
"1457072"	408.142117	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H+K"	39.970434
"243488"	1594.661426	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+ACN+H"	42.033826
"1222756"	818.347626	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+ACN+H"	42.033826
"1206645"	409.677451	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+ACN+2H"	43.041102
"199515"	1597.59876	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+2Na-H"	44.97116
"636887"	2373.91256	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+2Na-H"	44.97116
"1143675"	821.28496	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2Na-H"	44.97116
"182595"	799.303018	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+2Na"	45.978436
"619968"	1187.459918	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+2Na"	45.978436
"1126755"	411.146118	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2Na"	45.978436
"1409183"	274.433170666667	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H+2Na"	46.985712
"1445311"	823.326546	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H+HCOOH"	47.012746
"228809"	804.33604	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+3H2O+2H"	56.04448
"1516871"	837.37859	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+IsoProp+H"	61.06479
"411088"	807.289988	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+Na+K"	61.952376
"777561"	1195.446888	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+Na+K"	61.952376
"1678998"	419.133088	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Na+K"	61.952376
"265886"	1616.643368	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+ACN+Na"	64.015768
"1239329"	840.329568	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+ACN+Na"	64.015768
"1726027"	840.353093	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+NH4+HCOOH"	64.039293
"1193731"	281.760484666667	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+3Na"	68.967654
"1663819"	845.308488	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Na+HCOOH"	68.994688
"172268"	1629.54664	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+2K-H"	76.91904
"611947"	2405.86044	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+2K-H"	76.91904
"1099254"	853.23284	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2K-H"	76.91904
"156799"	815.276958	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"2M+2K"	77.926316
"590038"	1203.433858	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"3M+2K"	77.926316
"1076735"	427.120058	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2K"	77.926316
"1112132"	855.247392	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2K+H"	78.933592
"1345236"	855.335007	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+DMSO+H"	79.021207
"1017048"	859.374176	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2ACN+H"	83.060376
"1530799"	860.367808	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+IsoProp+Na+H"	84.054008
"993964"	430.190726	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+2ACN+2H"	84.067652
"1589925"	861.282428	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+K+HCOOH"	84.968628
"1425066"	891.313938	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+H+CF3COOH"	115.000138
"1152074"	450.704001	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+3ACN+2H"	125.094202
"1709279"	908.340485	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+NH4+CF3COOH"	132.026685
"1643837"	913.29588	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+Na+CF3COOH"	136.98208
"1572928"	929.26982	"C15736"	"Patellamide B"	"C38H48N8O6S2"	"776.3138"	"M+K+CF3COOH"	152.95602
"805483"	776.3138	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M"	0
"977922"	757.29541	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-H2O-H"	-19.01839
"64339"	516.535257333333	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M-3H"	-3.021828
"504627"	775.306524	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M-3H"	-3.021828
"892276"	257.763990666667	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-3H"	-3.021828
"10851"	775.306524	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M-2H"	-2.014552
"455489"	1163.463424	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M-2H"	-2.014552
"827119"	387.149624	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-2H"	-2.014552
"91486"	1551.620324	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M-H"	-1.007276
"533482"	2327.934124	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M-H"	-1.007276
"909943"	775.306524	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-H"	-1.007276
"58852"	1568.646871	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M-2H+NH4"	16.019271
"498413"	2344.960671	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M-2H+NH4"	16.019271
"875124"	792.333071	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-2H+NH4"	16.019271
"43023"	1573.602266	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M-2H+Na"	20.974666
"480397"	2349.916066	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M-2H+Na"	20.974666
"862576"	797.288466	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-2H+Na"	20.974666
"1631015"	797.288466	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Na-2H"	20.974666
"104267"	793.294863	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M-H+Cl"	33.962126
"540549"	1181.451763	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M-H+Cl"	33.962126
"932239"	405.137963	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-H+Cl"	33.962126
"278084"	1587.597002	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+Cl"	34.969402
"664308"	2363.910802	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+Cl"	34.969402
"1279629"	811.283202	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Cl"	34.969402
"26564"	1589.576206	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M-2H+K"	36.948606
"467219"	2365.890006	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M-2H+K"	36.948606
"837731"	813.262406	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-2H+K"	36.948606
"1559396"	813.262406	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+K-2H"	36.948606
"946185"	821.311994	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-H+HCOOH"	44.998194
"369141"	1597.625801	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+HCOOH-H"	44.998201
"352297"	1611.641451	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+Hac-H"	59.013851
"1499671"	835.327651	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Hac-H"	59.013851
"965026"	843.293951	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-H+NaCOOH"	66.980151
"117213"	811.283202	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+2Cl"	69.938804
"553494"	1199.440102	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+2Cl"	69.938804
"1027759"	423.126302	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2Cl"	69.938804
"1253897"	855.232685	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Br"	78.918885
"1319625"	857.288672	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Cl+HCOOH"	80.974872
"1330560"	879.270629	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Cl+NaCOOH"	102.956829
"919432"	889.299386	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M-H+CF3COOH"	112.985586
"1292859"	925.276064	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Cl+CF3COOH"	148.962264
"1369926"	741.301124	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H-2H2O"	-35.012676
"1389613"	759.3111	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H-H2O"	-17.0027
"288569"	1553.634876	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+H"	1.007276
"676247"	2329.948676	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+H"	1.007276
"1354788"	777.321076	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H"	1.007276
"138618"	777.321076	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+2H"	2.014552
"578908"	1165.477976	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+2H"	2.014552
"1050258"	389.164176	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2H"	2.014552
"217065"	518.549809333333	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+3H"	3.021828
"648242"	777.321076	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+3H"	3.021828
"1170379"	259.778542666667	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+3H"	3.021828
"429642"	1570.661423	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+NH4"	18.033823
"791366"	2346.975223	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+NH4"	18.033823
"1686237"	794.347623	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+NH4"	18.033823
"333422"	785.8343495	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+H+NH4"	19.041099
"725844"	1173.9912495	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+H+NH4"	19.041099
"1478933"	397.6774495	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H+NH4"	19.041099
"395425"	1575.616818	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+Na"	22.989218
"755328"	2351.930618	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+Na"	22.989218
"1603671"	799.303018	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Na"	22.989218
"317842"	788.312047	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+H+Na"	23.996494
"708076"	1176.468947	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+H+Na"	23.996494
"1462377"	400.155147	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H+Na"	23.996494
"1053799"	267.105856666667	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2H+Na"	25.00377
"1258271"	809.347286	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+CH3OH+H"	33.033486
"384151"	1591.590758	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+K"	38.963158
"749524"	2367.904558	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+K"	38.963158
"1552672"	815.276958	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+K"	38.963158
"306565"	796.299017	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+H+K"	39.970434
"701174"	1184.455917	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+H+K"	39.970434
"1457910"	408.142117	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H+K"	39.970434
"245785"	1594.661426	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+ACN+H"	42.033826
"1223595"	818.347626	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+ACN+H"	42.033826
"1204568"	409.677451	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+ACN+2H"	43.041102
"197438"	1597.59876	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+2Na-H"	44.97116
"635903"	2373.91256	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+2Na-H"	44.97116
"1144878"	821.28496	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2Na-H"	44.97116
"183800"	799.303018	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+2Na"	45.978436
"622265"	1187.459918	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+2Na"	45.978436
"1127958"	411.146118	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2Na"	45.978436
"1412573"	274.433170666667	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H+2Na"	46.985712
"1444688"	823.326546	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H+HCOOH"	47.012746
"228918"	804.33604	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+3H2O+2H"	56.04448
"1520259"	837.37859	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+IsoProp+H"	61.06479
"411562"	807.289988	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+Na+K"	61.952376
"779857"	1195.446888	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+Na+K"	61.952376
"1678378"	419.133088	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Na+K"	61.952376
"264175"	1616.643368	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+ACN+Na"	64.015768
"1237615"	840.329568	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+ACN+Na"	64.015768
"1725772"	840.353093	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+NH4+HCOOH"	64.039293
"1192579"	281.760484666667	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+3Na"	68.967654
"1664904"	845.308488	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Na+HCOOH"	68.994688
"171161"	1629.54664	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+2K-H"	76.91904
"612179"	2405.86044	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+2K-H"	76.91904
"1095956"	853.23284	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2K-H"	76.91904
"151678"	815.276958	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"2M+2K"	77.926316
"592331"	1203.433858	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"3M+2K"	77.926316
"1077939"	427.120058	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2K"	77.926316
"1112242"	855.247392	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2K+H"	78.933592
"1345345"	855.335007	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+DMSO+H"	79.021207
"1017158"	859.374176	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2ACN+H"	83.060376
"1533096"	860.367808	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+IsoProp+Na+H"	84.054008
"995168"	430.190726	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+2ACN+2H"	84.067652
"1590764"	861.282428	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+K+HCOOH"	84.968628
"1425176"	891.313938	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+H+CF3COOH"	115.000138
"1152184"	450.704001	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+3ACN+2H"	125.094202
"1708296"	908.340485	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+NH4+CF3COOH"	132.026685
"1643947"	913.29588	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+Na+CF3COOH"	136.98208
"1573038"	929.26982	"C15737"	"Patellamide D"	"C38H48N8O6S2"	"776.3138"	"M+K+CF3COOH"	152.95602
"802798"	756.3451	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M"	0
"975844"	737.32671	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-H2O-H"	-19.01839
"65178"	503.222790666667	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M-3H"	-3.021828
"503647"	755.337824	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M-3H"	-3.021828
"888011"	251.107757333333	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-3H"	-3.021828
"12054"	755.337824	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M-2H"	-2.014552
"455429"	1133.510374	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M-2H"	-2.014552
"828322"	377.165274	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-2H"	-2.014552
"93055"	1511.682924	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M-H"	-1.007276
"531888"	2268.028024	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M-H"	-1.007276
"907503"	755.337824	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-H"	-1.007276
"58962"	1528.709471	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M-2H+NH4"	16.019271
"502047"	2285.054571	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M-2H+NH4"	16.019271
"870859"	772.364371	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-2H+NH4"	16.019271
"38759"	1533.664866	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M-2H+Na"	20.974666
"482695"	2290.009966	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M-2H+Na"	20.974666
"862686"	777.319766	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-2H+Na"	20.974666
"1632220"	777.319766	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Na-2H"	20.974666
"103283"	773.326163	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M-H+Cl"	33.962126
"536645"	1151.498713	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M-H+Cl"	33.962126
"933442"	395.153613	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-H+Cl"	33.962126
"274915"	1547.659602	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+Cl"	34.969402
"663325"	2304.004702	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+Cl"	34.969402
"1279739"	791.314502	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Cl"	34.969402
"20109"	1549.638806	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M-2H+K"	36.948606
"465142"	2305.983906	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M-2H+K"	36.948606
"838571"	793.293706	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-2H+K"	36.948606
"1559506"	793.293706	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+K-2H"	36.948606
"947753"	801.343294	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-H+HCOOH"	44.998194
"369251"	1557.688401	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+HCOOH-H"	44.998201
"354229"	1571.704051	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+Hac-H"	59.013851
"1500146"	815.358951	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Hac-H"	59.013851
"968417"	823.325251	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-H+NaCOOH"	66.980151
"121698"	791.314502	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+2Cl"	69.938804
"559071"	1169.487052	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+2Cl"	69.938804
"1024225"	413.141952	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2Cl"	69.938804
"1247448"	835.263985	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Br"	78.918885
"1315362"	837.319972	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Cl+HCOOH"	80.974872
"1329578"	859.301929	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Cl+NaCOOH"	102.956829
"922823"	869.330686	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M-H+CF3COOH"	112.985586
"1291876"	905.307364	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Cl+CF3COOH"	148.962264
"1368943"	721.332424	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H-2H2O"	-35.012676
"1384620"	739.3424	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H-H2O"	-17.0027
"285035"	1513.697476	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+H"	1.007276
"682925"	2270.042576	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+H"	1.007276
"1364379"	757.352376	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H"	1.007276
"138366"	757.352376	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+2H"	2.014552
"578288"	1135.524926	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+2H"	2.014552
"1047088"	379.179826	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2H"	2.014552
"210614"	505.237342666667	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+3H"	3.021828
"650175"	757.352376	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+3H"	3.021828
"1168303"	253.122309333333	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+3H"	3.021828
"431574"	1530.724023	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+NH4"	18.033823
"791476"	2287.069123	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+NH4"	18.033823
"1688901"	774.378923	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+NH4"	18.033823
"331347"	765.8656495	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+H+NH4"	19.041099
"730694"	1144.0381995	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+H+NH4"	19.041099
"1483420"	387.6930995	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H+NH4"	19.041099
"392900"	1535.679418	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+Na"	22.989218
"757629"	2292.024518	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+Na"	22.989218
"1612292"	779.334318	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Na"	22.989218
"317954"	768.343347	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+H+Na"	23.996494
"709280"	1146.515897	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+H+Na"	23.996494
"1462367"	390.170797	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H+Na"	23.996494
"1053426"	260.449623333333	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2H+Na"	25.00377
"1258748"	789.378586	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+CH3OH+H"	33.033486
"384259"	1551.653358	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+K"	38.963158
"746351"	2307.998458	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+K"	38.963158
"1548407"	795.308258	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+K"	38.963158
"307769"	776.330317	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+H+K"	39.970434
"701283"	1154.502867	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+H+K"	39.970434
"1457290"	398.157767	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H+K"	39.970434
"250267"	1554.724026	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+ACN+H"	42.033826
"1221518"	798.378926	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+ACN+H"	42.033826
"1204677"	399.693101	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+ACN+2H"	43.041102
"200828"	1557.66136	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+2Na-H"	44.97116
"639297"	2314.00646	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+2Na-H"	44.97116
"1144869"	801.31626	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2Na-H"	44.97116
"181724"	779.334318	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+2Na"	45.978436
"622376"	1157.506868	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+2Na"	45.978436
"1125881"	401.161768	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2Na"	45.978436
"1408310"	267.776937333333	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H+2Na"	46.985712
"1440426"	803.357846	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H+HCOOH"	47.012746
"232308"	784.36734	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+3H2O+2H"	56.04448
"1518182"	817.40989	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+IsoProp+H"	61.06479
"420063"	787.321288	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+Na+K"	61.952376
"781060"	1165.493838	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+Na+K"	61.952376
"1679946"	409.148738	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Na+K"	61.952376
"265743"	1576.705968	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+ACN+Na"	64.015768
"1239545"	820.360868	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+ACN+Na"	64.015768
"1726607"	820.384393	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+NH4+HCOOH"	64.039293
"1190867"	275.104251333333	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+3Na"	68.967654
"1664530"	825.339788	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Na+HCOOH"	68.994688
"171634"	1589.60924	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+2K-H"	76.91904
"610464"	2345.95434	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+2K-H"	76.91904
"1099109"	833.26414	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2K-H"	76.91904
"155800"	795.308258	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"2M+2K"	77.926316
"592445"	1173.480808	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"3M+2K"	77.926316
"1075863"	417.135708	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2K"	77.926316
"1105790"	835.278692	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2K+H"	78.933592
"1346551"	835.366307	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+DMSO+H"	79.021207
"1017268"	839.405476	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2ACN+H"	83.060376
"1528467"	840.399108	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+IsoProp+Na+H"	84.054008
"999654"	420.206376	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+2ACN+2H"	84.067652
"1591970"	841.313728	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+K+HCOOH"	84.968628
"1425286"	871.345238	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+H+CF3COOH"	115.000138
"1158855"	440.719651	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+3ACN+2H"	125.094202
"1709500"	888.371785	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+NH4+CF3COOH"	132.026685
"1644057"	893.32718	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+Na+CF3COOH"	136.98208
"1578614"	909.30112	"C15738"	"Ascidiacyclamide"	"C36H52N8O6S2"	"756.3451"	"M+K+CF3COOH"	152.95602
"802423"	546.3166	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M"	0
"975224"	527.29821	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-H2O-H"	-19.01839
"63830"	363.203790666667	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M-3H"	-3.021828
"504121"	545.309324	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M-3H"	-3.021828
"888121"	181.098257333333	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-3H"	-3.021828
"11071"	545.309324	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M-2H"	-2.014552
"454158"	818.467624	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M-2H"	-2.014552
"828433"	272.151024	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-2H"	-2.014552
"92558"	1091.625924	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M-H"	-1.007276
"531753"	1637.942524	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M-H"	-1.007276
"906882"	545.309324	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-H"	-1.007276
"59071"	1108.652471	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M-2H+NH4"	16.019271
"499605"	1654.969071	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M-2H+NH4"	16.019271
"868782"	562.335871	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-2H+NH4"	16.019271
"35590"	1113.607866	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M-2H+Na"	20.974666
"481712"	1659.924466	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M-2H+Na"	20.974666
"862067"	567.291266	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-2H+Na"	20.974666
"1630143"	567.291266	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Na-2H"	20.974666
"104487"	563.297663	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M-H+Cl"	33.962126
"540766"	836.455963	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M-H+Cl"	33.962126
"935375"	290.139363	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-H+Cl"	33.962126
"278305"	1127.602602	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+Cl"	34.969402
"663071"	1673.919202	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+Cl"	34.969402
"1279849"	581.286002	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Cl"	34.969402
"20219"	1129.581806	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M-2H+K"	36.948606
"467437"	1675.898406	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M-2H+K"	36.948606
"840868"	583.265206	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-2H+K"	36.948606
"1558889"	583.265206	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+K-2H"	36.948606
"947865"	591.314794	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-H+HCOOH"	44.998194
"369362"	1137.631401	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+HCOOH-H"	44.998201
"355434"	1151.647051	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+Hac-H"	59.013851
"1503172"	605.330451	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Hac-H"	59.013851
"970714"	613.296751	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-H+NaCOOH"	66.980151
"121808"	581.286002	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+2Cl"	69.938804
"560275"	854.444302	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+2Cl"	69.938804
"1030167"	308.127702	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2Cl"	69.938804
"1247558"	625.235485	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Br"	78.918885
"1314379"	627.291472	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Cl+HCOOH"	80.974872
"1329688"	649.273429	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Cl+NaCOOH"	102.956829
"924027"	659.302186	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M-H+CF3COOH"	112.985586
"1294173"	695.278864	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Cl+CF3COOH"	148.962264
"1371240"	511.303924	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H-2H2O"	-35.012676
"1386552"	529.3139	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H-H2O"	-17.0027
"283153"	1093.640476	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+H"	1.007276
"681941"	1639.957076	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+H"	1.007276
"1366515"	547.323876	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H"	1.007276
"139205"	547.323876	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+2H"	2.014552
"578397"	820.482176	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+2H"	2.014552
"1041732"	274.165576	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2H"	2.014552
"217285"	365.218342666667	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+3H"	3.021828
"655753"	547.323876	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+3H"	3.021828
"1169507"	183.112809333333	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+3H"	3.021828
"431685"	1110.667023	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+NH4"	18.033823
"795961"	1656.983623	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+NH4"	18.033823
"1687918"	564.350423	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+NH4"	18.033823
"336196"	555.8371495	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+H+NH4"	19.041099
"729711"	828.9954495	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+H+NH4"	19.041099
"1483530"	282.6788495	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H+NH4"	19.041099
"396742"	1115.622418	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+Na"	22.989218
"762113"	1661.939018	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+Na"	22.989218
"1614588"	569.305818	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Na"	22.989218
"318064"	558.314847	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+H+Na"	23.996494
"712671"	831.473147	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+H+Na"	23.996494
"1466490"	285.156547	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H+Na"	23.996494
"1056456"	190.440123333333	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2H+Na"	25.00377
"1263600"	579.350086	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+CH3OH+H"	33.033486
"383276"	1131.596358	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+K"	38.963158
"747554"	1677.912958	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+K"	38.963158
"1546329"	585.279758	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+K"	38.963158
"307879"	566.301817	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+H+K"	39.970434
"702122"	839.460117	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+H+K"	39.970434
"1457400"	293.143517	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H+K"	39.970434
"244906"	1134.667026	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+ACN+H"	42.033826
"1217613"	588.350426	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+ACN+H"	42.033826
"1206608"	294.678851	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+ACN+2H"	43.041102
"198748"	1137.60436	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+2Na-H"	44.97116
"639407"	1683.92096	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+2Na-H"	44.97116
"1142912"	591.28776	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2Na-H"	44.97116
"184021"	569.305818	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+2Na"	45.978436
"622487"	842.464118	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+2Na"	45.978436
"1124899"	296.147518	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2Na"	45.978436
"1406600"	197.767437333333	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H+2Na"	46.985712
"1438352"	593.329346	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H+HCOOH"	47.012746
"229503"	574.33884	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+3H2O+2H"	56.04448
"1517564"	607.38139	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+IsoProp+H"	61.06479
"415794"	577.292788	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+Na+K"	61.952376
"781170"	850.451088	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+Na+K"	61.952376
"1679325"	304.134488	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Na+K"	61.952376
"264757"	1156.648968	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+ACN+Na"	64.015768
"1237832"	610.332368	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+ACN+Na"	64.015768
"1728055"	610.355893	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+NH4+HCOOH"	64.039293
"1193164"	205.094751333333	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+3Na"	68.967654
"1664153"	615.311288	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Na+HCOOH"	68.994688
"169919"	1169.55224	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+2K-H"	76.91904
"608386"	1715.86884	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+2K-H"	76.91904
"1098365"	623.23564	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2K-H"	76.91904
"155909"	585.279758	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"2M+2K"	77.926316
"593647"	858.438058	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"3M+2K"	77.926316
"1078161"	312.121458	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2K"	77.926316
"1106995"	625.250192	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2K+H"	78.933592
"1346661"	625.337807	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+DMSO+H"	79.021207
"1010817"	629.376976	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2ACN+H"	83.060376
"1527119"	630.370608	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+IsoProp+Na+H"	84.054008
"993567"	315.192126	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+2ACN+2H"	84.067652
"1588188"	631.285228	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+K+HCOOH"	84.968628
"1425396"	661.316738	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+H+CF3COOH"	115.000138
"1158965"	335.705401	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+3ACN+2H"	125.094202
"1709610"	678.343285	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+NH4+CF3COOH"	132.026685
"1644167"	683.29868	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+Na+CF3COOH"	136.98208
"1575445"	699.27262	"C15739"	"Westiellamide"	"C27H42N6O6"	"546.3166"	"M+K+CF3COOH"	152.95602
"805814"	639.4095	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M"	0
"978251"	620.39111	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-H2O-H"	-19.01839
"64671"	425.265724	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M-3H"	-3.021828
"503212"	638.402224	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M-3H"	-3.021828
"893339"	212.129224	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-3H"	-3.021828
"13372"	638.402224	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M-2H"	-2.014552
"450743"	958.106974	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M-2H"	-2.014552
"827451"	318.697474	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-2H"	-2.014552
"90358"	1277.811724	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M-H"	-1.007276
"530649"	1917.221224	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M-H"	-1.007276
"909306"	638.402224	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-H"	-1.007276
"59911"	1294.838271	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M-2H+NH4"	16.019271
"494371"	1934.247771	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M-2H+NH4"	16.019271
"873268"	655.428771	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-2H+NH4"	16.019271
"46397"	1299.793666	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M-2H+Na"	20.974666
"486444"	1939.203166	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M-2H+Na"	20.974666
"860721"	660.384166	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-2H+Na"	20.974666
"1633052"	660.384166	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Na-2H"	20.974666
"100223"	656.390563	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M-H+Cl"	33.962126
"539782"	976.095313	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M-H+Cl"	33.962126
"935485"	336.685813	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-H+Cl"	33.962126
"278051"	1313.788402	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+Cl"	34.969402
"669745"	1953.197902	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+Cl"	34.969402
"1279960"	674.378902	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Cl"	34.969402
"22518"	1315.767606	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M-2H+K"	36.948606
"467547"	1955.177106	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M-2H+K"	36.948606
"836238"	676.358106	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-2H+K"	36.948606
"1563373"	676.358106	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+K-2H"	36.948606
"953446"	684.407694	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-H+HCOOH"	44.998194
"372391"	1323.817201	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+HCOOH-H"	44.998201
"355543"	1337.832851	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+Hac-H"	59.013851
"1506200"	698.423351	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Hac-H"	59.013851
"972648"	706.389651	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-H+NaCOOH"	66.980151
"116451"	674.378902	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+2Cl"	69.938804
"559290"	994.083652	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+2Cl"	69.938804
"1026998"	354.674152	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2Cl"	69.938804
"1245482"	718.328385	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Br"	78.918885
"1315583"	720.384372	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Cl+HCOOH"	80.974872
"1331621"	742.366329	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Cl+NaCOOH"	102.956829
"918670"	752.395086	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M-H+CF3COOH"	112.985586
"1291123"	788.371764	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Cl+CF3COOH"	148.962264
"1368438"	604.396824	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H-2H2O"	-35.012676
"1385569"	622.4068	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H-H2O"	-17.0027
"292913"	1279.826276	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+H"	1.007276
"689349"	1919.235776	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+H"	1.007276
"1362414"	640.416776	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H"	1.007276
"139315"	640.416776	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+2H"	2.014552
"575595"	960.121526	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+2H"	2.014552
"1048038"	320.712026	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2H"	2.014552
"216667"	427.280276	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+3H"	3.021828
"649667"	640.416776	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+3H"	3.021828
"1173991"	214.143776	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+3H"	3.021828
"431794"	1296.852823	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+NH4"	18.033823
"796071"	1936.262323	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+NH4"	18.033823
"1690215"	657.443323	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+NH4"	18.033823
"337401"	648.9300495	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+H+NH4"	19.041099
"732008"	968.6347995	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+H+NH4"	19.041099
"1483641"	329.2252995	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H+NH4"	19.041099
"404147"	1301.808218	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+Na"	22.989218
"764416"	1941.217718	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+Na"	22.989218
"1611420"	662.398718	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Na"	22.989218
"319268"	651.407747	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+H+Na"	23.996494
"711687"	971.112497	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+H+Na"	23.996494
"1465509"	331.702997	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H+Na"	23.996494
"1058753"	221.47109	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2H+Na"	25.00377
"1259339"	672.442986	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+CH3OH+H"	33.033486
"386670"	1317.782158	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+K"	38.963158
"749856"	1957.191658	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+K"	38.963158
"1546440"	678.372658	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+K"	38.963158
"307988"	659.394717	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+H+K"	39.970434
"700773"	979.099467	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+H+K"	39.970434
"1454957"	339.689967	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H+K"	39.970434
"240640"	1320.852826	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+ACN+H"	42.033826
"1224291"	681.443326	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+ACN+H"	42.033826
"1206351"	341.225301	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+ACN+2H"	43.041102
"201049"	1323.79016	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+2Na-H"	44.97116
"640246"	1963.19966	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+2Na-H"	44.97116
"1143022"	684.38066	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2Na-H"	44.97116
"184495"	662.398718	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+2Na"	45.978436
"625515"	982.103468	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+2Na"	45.978436
"1126832"	342.693968	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2Na"	45.978436
"1411450"	228.798404	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H+2Na"	46.985712
"1442471"	686.422246	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H+HCOOH"	47.012746
"229248"	667.43174	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+3H2O+2H"	56.04448
"1515857"	700.47429	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+IsoProp+H"	61.06479
"419919"	670.385688	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+Na+K"	61.952376
"781280"	990.090438	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+Na+K"	61.952376
"1679435"	350.680938	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Na+K"	61.952376
"264873"	1342.834768	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+ACN+Na"	64.015768
"1238670"	703.425268	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+ACN+Na"	64.015768
"1726462"	703.448793	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+NH4+HCOOH"	64.039293
"1191455"	236.125718	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+3Na"	68.967654
"1664507"	708.404188	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Na+HCOOH"	68.994688
"171124"	1355.73804	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+2K-H"	76.91904
"609588"	1995.14754	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+2K-H"	76.91904
"1097381"	716.32854	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2K-H"	76.91904
"156631"	678.372658	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"2M+2K"	77.926316
"590477"	998.077408	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"3M+2K"	77.926316
"1083784"	358.667908	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2K"	77.926316
"1107104"	718.343092	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2K+H"	78.933592
"1343491"	718.430707	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+DMSO+H"	79.021207
"1010927"	722.469876	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2ACN+H"	83.060376
"1527230"	723.463508	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+IsoProp+Na+H"	84.054008
"993312"	361.738576	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+2ACN+2H"	84.067652
"1587817"	724.378128	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+K+HCOOH"	84.968628
"1426602"	754.409638	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+H+CF3COOH"	115.000138
"1152515"	382.251851	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+3ACN+2H"	125.094202
"1706440"	771.436185	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+NH4+CF3COOH"	132.026685
"1644278"	776.39158	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+Na+CF3COOH"	136.98208
"1578834"	792.36552	"C15740"	"Enniatin B"	"C33H57N3O9"	"639.4095"	"M+K+CF3COOH"	152.95602
"805924"	1258.3345	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M"	0
"978360"	1239.31611	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-H2O-H"	-19.01839
"66967"	837.882390666667	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M-3H"	-3.021828
"506527"	1257.327224	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M-3H"	-3.021828
"890533"	418.437557333333	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-3H"	-3.021828
"10200"	1257.327224	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M-2H"	-2.014552
"448666"	1886.494474	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M-2H"	-2.014552
"828654"	628.159974	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-2H"	-2.014552
"90831"	2515.661724	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M-H"	-1.007276
"529300"	3773.996224	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M-H"	-1.007276
"902730"	1257.327224	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-H"	-1.007276
"57104"	2532.688271	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M-2H+NH4"	16.019271
"494481"	3791.022771	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M-2H+NH4"	16.019271
"871191"	1274.353771	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-2H+NH4"	16.019271
"43467"	2537.643666	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M-2H+Na"	20.974666
"485096"	3795.978166	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M-2H+Na"	20.974666
"862775"	1279.309166	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-2H+Na"	20.974666
"1630365"	1279.309166	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Na-2H"	20.974666
"98146"	1275.315563	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M-H+Cl"	33.962126
"537705"	1904.482813	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M-H+Cl"	33.962126
"931221"	646.148313	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-H+Cl"	33.962126
"274151"	2551.638402	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+Cl"	34.969402
"667668"	3809.972902	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+Cl"	34.969402
"1276790"	1293.303902	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Cl"	34.969402
"21534"	2553.617606	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M-2H+K"	36.948606
"464377"	3811.952106	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M-2H+K"	36.948606
"835620"	1295.283106	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-2H+K"	36.948606
"1565670"	1295.283106	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+K-2H"	36.948606
"948089"	1303.332694	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-H+HCOOH"	44.998194
"363753"	2561.667201	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+HCOOH-H"	44.998201
"353467"	2575.682851	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+Hac-H"	59.013851
"1499748"	1317.348351	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Hac-H"	59.013851
"963645"	1325.314651	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-H+NaCOOH"	66.980151
"114009"	1293.303902	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+2Cl"	69.938804
"558307"	1922.471152	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+2Cl"	69.938804
"1021640"	664.136652	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2Cl"	69.938804
"1243769"	1337.253385	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Br"	78.918885
"1312412"	1339.309372	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Cl+HCOOH"	80.974872
"1332095"	1361.291329	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Cl+NaCOOH"	102.956829
"918780"	1371.320086	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M-H+CF3COOH"	112.985586
"1291112"	1407.296764	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Cl+CF3COOH"	148.962264
"1373651"	1223.321824	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H-2H2O"	-35.012676
"1388959"	1241.3318	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H-H2O"	-17.0027
"288649"	2517.676276	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+H"	1.007276
"689092"	3776.010776	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+H"	1.007276
"1365076"	1259.341776	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H"	1.007276
"140157"	1259.341776	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+2H"	2.014552
"573152"	1888.509026	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+2H"	2.014552
"1049605"	630.174526	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2H"	2.014552
"210945"	839.896942666667	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+3H"	3.021828
"651600"	1259.341776	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+3H"	3.021828
"1175194"	420.452109333333	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+3H"	3.021828
"430810"	2534.702823	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+NH4"	18.033823
"797274"	3793.037323	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+NH4"	18.033823
"1690325"	1276.368323	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+NH4"	18.033823
"340790"	1267.8550495	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+H+NH4"	19.041099
"727015"	1897.0222995	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+H+NH4"	19.041099
"1481564"	638.6877995	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H+NH4"	19.041099
"405714"	2539.658218	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+Na"	22.989218
"767807"	3797.992718	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+Na"	22.989218
"1614810"	1281.323718	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Na"	22.989218
"322658"	1270.332747	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+H+Na"	23.996494
"710704"	1899.499997	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+H+Na"	23.996494
"1464525"	641.165497	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H+Na"	23.996494
"1056675"	427.779423333333	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2H+Na"	25.00377
"1260542"	1291.367986	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+CH3OH+H"	33.033486
"383500"	2555.632158	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+K"	38.963158
"747779"	3813.966658	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+K"	38.963158
"1546550"	1297.297658	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+K"	38.963158
"311014"	1278.319717	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+H+K"	39.970434
"699425"	1907.486967	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+H+K"	39.970434
"1453243"	649.152467	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H+K"	39.970434
"237835"	2558.702826	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+ACN+H"	42.033826
"1221485"	1300.368326	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+ACN+H"	42.033826
"1207920"	650.687801	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+ACN+2H"	43.041102
"200793"	2561.64016	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+2Na-H"	44.97116
"641694"	3819.97466	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+2Na-H"	44.97116
"1144228"	1303.30566	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2Na-H"	44.97116
"186428"	1281.323718	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+2Na"	45.978436
"624528"	1910.490968	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+2Na"	45.978436
"1129494"	652.156468	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2Na"	45.978436
"1413021"	435.106737333333	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H+2Na"	46.985712
"1442945"	1305.347246	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H+HCOOH"	47.012746
"230816"	1286.35674	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+3H2O+2H"	56.04448
"1517789"	1319.39929	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+IsoProp+H"	61.06479
"419665"	1289.310688	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+Na+K"	61.952376
"781755"	1918.477938	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+Na+K"	61.952376
"1676628"	660.143438	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Na+K"	61.952376
"263157"	2580.684768	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+ACN+Na"	64.015768
"1235499"	1322.350268	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+ACN+Na"	64.015768
"1723292"	1322.373793	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+NH4+HCOOH"	64.039293
"1186825"	442.434051333333	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+3Na"	68.967654
"1661091"	1327.329188	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Na+HCOOH"	68.994688
"171839"	2593.58804	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+2K-H"	76.91904
"609698"	3851.92254	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+2K-H"	76.91904
"1098341"	1335.25354	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2K-H"	76.91904
"149933"	1297.297658	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"2M+2K"	77.926316
"590586"	1926.464908	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"3M+2K"	77.926316
"1083731"	668.130408	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2K"	77.926316
"1103934"	1337.268092	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2K+H"	78.933592
"1343601"	1337.355707	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+DMSO+H"	79.021207
"1011037"	1341.394876	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2ACN+H"	83.060376
"1529162"	1342.388508	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+IsoProp+Na+H"	84.054008
"994515"	671.201076	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+2ACN+2H"	84.067652
"1589020"	1343.303128	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+K+HCOOH"	84.968628
"1427805"	1373.334638	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+H+CF3COOH"	115.000138
"1153718"	691.714351	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+3ACN+2H"	125.094202
"1706550"	1390.361185	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+NH4+CF3COOH"	132.026685
"1644388"	1395.31658	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+Na+CF3COOH"	136.98208
"1576757"	1411.29052	"C15741"	"Methylsulfomycin I"	"C55H54N16O16S2"	"1258.3345"	"M+K+CF3COOH"	152.95602
"806035"	956.5331	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M"	0
"976286"	937.51471	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-H2O-H"	-19.01839
"63799"	636.681457333333	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M-3H"	-3.021828
"509558"	955.525824	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M-3H"	-3.021828
"890645"	317.837090666667	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-3H"	-3.021828
"9218"	955.525824	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M-2H"	-2.014552
"446592"	1433.792374	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M-2H"	-2.014552
"822204"	477.259274	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-2H"	-2.014552
"89852"	1912.058924	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M-H"	-1.007276
"525039"	2868.592024	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M-H"	-1.007276
"901748"	955.525824	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-H"	-1.007276
"50654"	1929.085471	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M-2H+NH4"	16.019271
"493498"	2885.618571	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M-2H+NH4"	16.019271
"878353"	972.552371	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-2H+NH4"	16.019271
"45767"	1934.040866	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M-2H+Na"	20.974666
"486059"	2890.573966	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M-2H+Na"	20.974666
"863131"	977.507766	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-2H+Na"	20.974666
"1629381"	977.507766	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Na-2H"	20.974666
"98255"	973.514163	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M-H+Cl"	33.962126
"537817"	1451.780713	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M-H+Cl"	33.962126
"932424"	495.247613	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-H+Cl"	33.962126
"270983"	1948.035602	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+Cl"	34.969402
"663404"	2904.568702	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+Cl"	34.969402
"1280182"	991.502502	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Cl"	34.969402
"23831"	1950.014806	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M-2H+K"	36.948606
"464487"	2906.547906	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M-2H+K"	36.948606
"839013"	993.481706	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-2H+K"	36.948606
"1561409"	993.481706	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+K-2H"	36.948606
"949293"	1001.531294	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-H+HCOOH"	44.998194
"364590"	1958.064401	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+HCOOH-H"	44.998201
"351028"	1972.080051	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+Hac-H"	59.013851
"1502410"	1015.546951	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Hac-H"	59.013851
"965943"	1023.513251	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-H+NaCOOH"	66.980151
"115577"	991.502502	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+2Cl"	69.938804
"558418"	1469.769052	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+2Cl"	69.938804
"1025394"	513.235952	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2Cl"	69.938804
"1243878"	1035.451985	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Br"	78.918885
"1307055"	1037.507972	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Cl+HCOOH"	80.974872
"1324552"	1059.489929	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Cl+NaCOOH"	102.956829
"913787"	1069.518686	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M-H+CF3COOH"	112.985586
"1290496"	1105.495364	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Cl+CF3COOH"	148.962264
"1373761"	921.520424	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H-2H2O"	-35.012676
"1385789"	939.5304	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H-H2O"	-17.0027
"288759"	1914.073476	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+H"	1.007276
"688475"	2870.606576	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+H"	1.007276
"1363366"	957.540376	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H"	1.007276
"139537"	957.540376	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+2H"	2.014552
"575085"	1435.806926	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+2H"	2.014552
"1048987"	479.273826	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2H"	2.014552
"211055"	638.696009333333	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+3H"	3.021828
"653534"	957.540376	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+3H"	3.021828
"1169836"	319.851642666667	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+3H"	3.021828
"430921"	1931.100023	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+NH4"	18.033823
"795927"	2887.633123	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+NH4"	18.033823
"1686059"	974.566923	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+NH4"	18.033823
"339806"	966.0536495	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+H+NH4"	19.041099
"732229"	1444.3201995	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+H+NH4"	19.041099
"1480581"	487.7870995	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H+NH4"	19.041099
"404731"	1936.055418	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+Na"	22.989218
"768649"	2892.588518	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+Na"	22.989218
"1616745"	979.522318	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Na"	22.989218
"324956"	968.531347	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+H+Na"	23.996494
"714096"	1446.797897	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+H+Na"	23.996494
"1466821"	490.264797	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H+Na"	23.996494
"1056785"	327.178956666667	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2H+Na"	25.00377
"1261745"	989.566586	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+CH3OH+H"	33.033486
"380697"	1952.029358	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+K"	38.963158
"741328"	2908.562458	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+K"	38.963158
"1544837"	995.496258	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+K"	38.963158
"307115"	976.518317	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+H+K"	39.970434
"700629"	1454.784867	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+H+K"	39.970434
"1454449"	498.251767	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H+K"	39.970434
"250223"	1955.100026	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+ACN+H"	42.033826
"1222321"	998.566926	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+ACN+H"	42.033826
"1209248"	499.787101	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+ACN+2H"	43.041102
"203905"	1958.03736	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+2Na-H"	44.97116
"641193"	2914.57046	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+2Na-H"	44.97116
"1142876"	1001.50426	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2Na-H"	44.97116
"184711"	979.522318	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+2Na"	45.978436
"626827"	1457.788868	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+2Na"	45.978436
"1128145"	501.255768	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2Na"	45.978436
"1410938"	334.506270666667	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H+2Na"	46.985712
"1443056"	1003.545846	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H+HCOOH"	47.012746
"231654"	984.55534	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+3H2O+2H"	56.04448
"1517535"	1017.59789	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+IsoProp+H"	61.06479
"420506"	987.509288	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+Na+K"	61.952376
"779313"	1465.775838	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+Na+K"	61.952376
"1674188"	509.242738	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Na+K"	61.952376
"256705"	1977.081968	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+ACN+Na"	64.015768
"1237797"	1020.548868	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+ACN+Na"	64.015768
"1720487"	1020.572393	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+NH4+HCOOH"	64.039293
"1190215"	341.833584666667	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+3Na"	68.967654
"1660108"	1025.527788	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Na+HCOOH"	68.994688
"170248"	1989.98524	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+2K-H"	76.91904
"609810"	2946.51834	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+2K-H"	76.91904
"1098572"	1033.45214	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2K-H"	76.91904
"150043"	995.496258	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"2M+2K"	77.926316
"593977"	1473.762808	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"3M+2K"	77.926316
"1083110"	517.229708	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2K"	77.926316
"1104043"	1035.466692	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2K+H"	78.933592
"1343711"	1035.554307	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+DMSO+H"	79.021207
"1012241"	1039.593476	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2ACN+H"	83.060376
"1528179"	1040.587108	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+IsoProp+Na+H"	84.054008
"994626"	520.300376	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+2ACN+2H"	84.067652
"1589130"	1041.501728	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+K+HCOOH"	84.968628
"1428647"	1071.533238	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+H+CF3COOH"	115.000138
"1159296"	540.813651	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+3ACN+2H"	125.094202
"1706660"	1088.559785	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+NH4+CF3COOH"	132.026685
"1644498"	1093.51518	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+Na+CF3COOH"	136.98208
"1579054"	1109.48912	"C15742"	"Cyanopeptolin A"	"C46H72N10O12"	"956.5331"	"M+K+CF3COOH"	152.95602
"802863"	925.4215	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M"	0
"977489"	906.40311	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-H2O-H"	-19.01839
"64638"	615.940390666667	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M-3H"	-3.021828
"509668"	924.414224	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M-3H"	-3.021828
"890753"	307.466557333333	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-3H"	-3.021828
"8233"	924.414224	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M-2H"	-2.014552
"446701"	1387.124974	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M-2H"	-2.014552
"822314"	461.703474	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-2H"	-2.014552
"88869"	1849.835724	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M-H"	-1.007276
"525149"	2775.257224	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M-H"	-1.007276
"904044"	924.414224	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-H"	-1.007276
"55138"	1866.862271	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M-2H+NH4"	16.019271
"492515"	2792.283771	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M-2H+NH4"	16.019271
"878341"	941.440771	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-2H+NH4"	16.019271
"45150"	1871.817666	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M-2H+Na"	20.974666
"485075"	2797.239166	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M-2H+Na"	20.974666
"863242"	946.396166	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-2H+Na"	20.974666
"1630584"	946.396166	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Na-2H"	20.974666
"97272"	942.402563	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M-H+Cl"	33.962126
"537925"	1405.113313	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M-H+Cl"	33.962126
"932535"	479.691813	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-H+Cl"	33.962126
"276560"	1885.812402	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+Cl"	34.969402
"666794"	2811.233902	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+Cl"	34.969402
"1283572"	960.390902	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Cl"	34.969402
"23941"	1887.791606	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M-2H+K"	36.948606
"461316"	2813.213106	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M-2H+K"	36.948606
"842404"	962.370106	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-2H+K"	36.948606
"1561520"	962.370106	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+K-2H"	36.948606
"949767"	970.419694	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-H+HCOOH"	44.998194
"365793"	1895.841201	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+HCOOH-H"	44.998201
"351866"	1909.856851	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+Hac-H"	59.013851
"1502520"	984.435351	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Hac-H"	59.013851
"966053"	992.401651	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-H+NaCOOH"	66.980151
"113136"	960.390902	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+2Cl"	69.938804
"555612"	1423.101652	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+2Cl"	69.938804
"1025504"	497.680152	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2Cl"	69.938804
"1243989"	1004.340385	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Br"	78.918885
"1310447"	1006.396372	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Cl+HCOOH"	80.974872
"1329037"	1028.378329	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Cl+NaCOOH"	102.956829
"915720"	1038.407086	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M-H+CF3COOH"	112.985586
"1292793"	1074.383764	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Cl+CF3COOH"	148.962264
"1373871"	890.408824	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H-2H2O"	-35.012676
"1389179"	908.4188	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H-H2O"	-17.0027
"291056"	1851.850276	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+H"	1.007276
"688586"	2777.271776	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+H"	1.007276
"1364570"	926.428776	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H"	1.007276
"136729"	926.428776	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+2H"	2.014552
"570457"	1389.139526	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+2H"	2.014552
"1044359"	463.718026	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2H"	2.014552
"211165"	617.954942666667	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+3H"	3.021828
"647812"	926.428776	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+3H"	3.021828
"1165573"	309.481109333333	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+3H"	3.021828
"429935"	1868.876823	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+NH4"	18.033823
"790932"	2794.298323	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+NH4"	18.033823
"1686170"	943.455323	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+NH4"	18.033823
"333354"	934.9420495	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+H+NH4"	19.041099
"733433"	1397.6527995	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+H+NH4"	19.041099
"1486159"	472.2312995	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H+NH4"	19.041099
"407033"	1873.832218	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+Na"	22.989218
"766572"	2799.253718	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+Na"	22.989218
"1613940"	948.410718	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Na"	22.989218
"323974"	937.419747	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+H+Na"	23.996494
"720404"	1400.130497	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+H+Na"	23.996494
"1470214"	474.708997	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H+Na"	23.996494
"1060178"	316.808423333333	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2H+Na"	25.00377
"1261855"	958.454986	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+CH3OH+H"	33.033486
"381901"	1889.806158	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+K"	38.963158
"740344"	2815.227658	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+K"	38.963158
"1546766"	964.384658	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+K"	38.963158
"306128"	945.406717	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+H+K"	39.970434
"695271"	1408.117467	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+H+K"	39.970434
"1451278"	482.695967	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H+K"	39.970434
"243162"	1892.876826	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+ACN+H"	42.033826
"1219151"	967.455326	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+ACN+H"	42.033826
"1203036"	484.231301	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+ACN+2H"	43.041102
"201988"	1895.81416	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+2Na-H"	44.97116
"642277"	2821.23566	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+2Na-H"	44.97116
"1142258"	970.39266	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2Na-H"	44.97116
"184093"	948.410718	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+2Na"	45.978436
"618549"	1411.121468	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+2Na"	45.978436
"1127158"	485.699968	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2Na"	45.978436
"1404486"	324.135737333333	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H+2Na"	46.985712
"1439517"	972.434246	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H+HCOOH"	47.012746
"232496"	953.44374	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+3H2O+2H"	56.04448
"1517645"	986.48629	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+IsoProp+H"	61.06479
"420615"	956.397688	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+Na+K"	61.952376
"779423"	1419.108438	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+Na+K"	61.952376
"1674662"	493.686938	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Na+K"	61.952376
"260095"	1914.858768	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+ACN+Na"	64.015768
"1237178"	989.437268	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+ACN+Na"	64.015768
"1719503"	989.460793	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+NH4+HCOOH"	64.039293
"1187044"	331.463051333333	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+3Na"	68.967654
"1661310"	994.416188	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Na+HCOOH"	68.994688
"160152"	1927.76204	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+2K-H"	76.91904
"611741"	2853.18354	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+2K-H"	76.91904
"1095522"	1002.34054	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2K-H"	76.91904
"151246"	964.384658	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"2M+2K"	77.926316
"591898"	1427.095408	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"3M+2K"	77.926316
"1076412"	501.673908	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2K"	77.926316
"1105246"	1004.355092	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2K+H"	78.933592
"1340539"	1004.442707	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+DMSO+H"	79.021207
"1012351"	1008.481876	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2ACN+H"	83.060376
"1530475"	1009.475508	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+IsoProp+Na+H"	84.054008
"995829"	504.744576	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+2ACN+2H"	84.067652
"1589604"	1010.390128	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+K+HCOOH"	84.968628
"1426933"	1040.421638	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+H+CF3COOH"	115.000138
"1159406"	525.257851	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+3ACN+2H"	125.094202
"1706770"	1057.448185	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+NH4+CF3COOH"	132.026685
"1644608"	1062.40358	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+Na+CF3COOH"	136.98208
"1576977"	1078.37752	"C15743"	"Cyanopeptolin S"	"C40H63N9O14S"	"925.4215"	"M+K+CF3COOH"	152.95602
"806253"	1145.5281	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M"	0
"976506"	1126.50971	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-H2O-H"	-19.01839
"64383"	762.678124	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M-3H"	-3.021828
"509778"	1144.520824	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M-3H"	-3.021828
"890861"	380.835424	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-3H"	-3.021828
"10529"	1144.520824	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M-2H"	-2.014552
"445715"	1717.284874	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M-2H"	-2.014552
"826798"	571.756774	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-2H"	-2.014552
"88979"	2290.048924	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M-H"	-1.007276
"526352"	3435.577024	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M-H"	-1.007276
"903063"	1144.520824	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-H"	-1.007276
"55250"	2307.075471	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M-2H+NH4"	16.019271
"495904"	3452.603571	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M-2H+NH4"	16.019271
"871524"	1161.547371	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-2H+NH4"	16.019271
"40519"	2312.030866	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M-2H+Na"	20.974666
"483362"	3457.558966	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M-2H+Na"	20.974666
"861164"	1166.502766	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-2H+Na"	20.974666
"1629603"	1166.502766	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Na-2H"	20.974666
"95196"	1162.509163	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M-H+Cl"	33.962126
"542410"	1735.273213	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M-H+Cl"	33.962126
"933738"	589.745113	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-H+Cl"	33.962126
"276669"	2326.025602	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+Cl"	34.969402
"666904"	3471.553702	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+Cl"	34.969402
"1287935"	1180.497502	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Cl"	34.969402
"25143"	2328.004806	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M-2H+K"	36.948606
"461426"	3473.532906	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M-2H+K"	36.948606
"842514"	1182.476706	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-2H+K"	36.948606
"1562723"	1182.476706	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+K-2H"	36.948606
"949513"	1190.526294	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-H+HCOOH"	44.998194
"366633"	2336.054401	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+HCOOH-H"	44.998201
"350881"	2350.070051	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+Hac-H"	59.013851
"1502630"	1204.541951	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Hac-H"	59.013851
"967986"	1212.508251	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-H+NaCOOH"	66.980151
"115069"	1180.497502	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+2Cl"	69.938804
"556451"	1753.261552	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+2Cl"	69.938804
"1027437"	607.733452	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2Cl"	69.938804
"1250296"	1224.446985	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Br"	78.918885
"1309464"	1226.502972	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Cl+HCOOH"	80.974872
"1331334"	1248.484929	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Cl+NaCOOH"	102.956829
"916923"	1258.513686	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M-H+CF3COOH"	112.985586
"1293996"	1294.490364	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Cl+CF3COOH"	148.962264
"1372888"	1110.515424	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H-2H2O"	-35.012676
"1389289"	1128.5254	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H-H2O"	-17.0027
"291166"	2292.063476	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+H"	1.007276
"689426"	3437.591576	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+H"	1.007276
"1365774"	1146.535376	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H"	1.007276
"139758"	1146.535376	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+2H"	2.014552
"575671"	1719.299426	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+2H"	2.014552
"1049939"	573.771326	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2H"	2.014552
"215651"	764.692676	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+3H"	3.021828
"653753"	1146.535376	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+3H"	3.021828
"1171149"	382.849976	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+3H"	3.021828
"428953"	2309.090023	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+NH4"	18.033823
"789948"	3454.618123	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+NH4"	18.033823
"1687374"	1163.561923	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+NH4"	18.033823
"333100"	1155.0486495	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+H+NH4"	19.041099
"725888"	1727.8126995	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+H+NH4"	19.041099
"1480800"	582.2845995	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H+NH4"	19.041099
"407386"	2314.045418	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+Na"	22.989218
"768140"	3459.573518	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+Na"	22.989218
"1614781"	1168.517318	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Na"	22.989218
"325908"	1157.526347	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+H+Na"	23.996494
"719422"	1730.290397	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+H+Na"	23.996494
"1470324"	584.762297	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H+Na"	23.996494
"1060287"	390.17729	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2H+Na"	25.00377
"1260872"	1178.561586	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+CH3OH+H"	33.033486
"381647"	2330.019358	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+K"	38.963158
"740455"	3475.547458	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+K"	38.963158
"1541776"	1184.491258	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+K"	38.963158
"302959"	1165.513317	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+H+K"	39.970434
"695382"	1738.277367	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+H+K"	39.970434
"1450295"	592.749267	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H+K"	39.970434
"239991"	2333.090026	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+ACN+H"	42.033826
"1219261"	1187.561926	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+ACN+H"	42.033826
"1208860"	594.284601	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+ACN+2H"	43.041102
"202097"	2336.02736	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+2Na-H"	44.97116
"642021"	3481.55546	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+2Na-H"	44.97116
"1143826"	1190.49926	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2Na-H"	44.97116
"180192"	1168.517318	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+2Na"	45.978436
"619753"	1741.281368	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+2Na"	45.978436
"1123259"	595.753268	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2Na"	45.978436
"1400223"	397.504604	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H+2Na"	46.985712
"1440721"	1192.540846	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H+HCOOH"	47.012746
"231509"	1173.55034	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+3H2O+2H"	56.04448
"1521037"	1206.59289	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+IsoProp+H"	61.06479
"419995"	1176.504288	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+Na+K"	61.952376
"781721"	1749.268338	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+Na+K"	61.952376
"1675866"	603.740238	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Na+K"	61.952376
"261299"	2355.071968	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+ACN+Na"	64.015768
"1237288"	1209.543868	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+ACN+Na"	64.015768
"1720707"	1209.567393	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+NH4+HCOOH"	64.039293
"1184967"	404.831918	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+3Na"	68.967654
"1659233"	1214.522788	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Na+HCOOH"	68.994688
"172698"	2367.97524	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+2K-H"	76.91904
"610028"	3513.50334	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+2K-H"	76.91904
"1095632"	1222.44714	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2K-H"	76.91904
"150263"	1184.491258	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"2M+2K"	77.926316
"588728"	1757.255308	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"3M+2K"	77.926316
"1075429"	611.727208	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2K"	77.926316
"1105356"	1224.461692	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2K+H"	78.933592
"1342836"	1224.549307	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+DMSO+H"	79.021207
"1011368"	1228.588476	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2ACN+H"	83.060376
"1530585"	1229.582108	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+IsoProp+Na+H"	84.054008
"994846"	614.797876	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+2ACN+2H"	84.067652
"1592630"	1230.496728	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+K+HCOOH"	84.968628
"1427771"	1260.528238	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+H+CF3COOH"	115.000138
"1159516"	635.311151	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+3ACN+2H"	125.094202
"1706880"	1277.554785	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+NH4+CF3COOH"	132.026685
"1644718"	1282.51018	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+Na+CF3COOH"	136.98208
"1579274"	1298.48412	"C15744"	"Aeruginopeptin 95A"	"C56H75N9O17"	"1145.5281"	"M+K+CF3COOH"	152.95602
"806363"	1149.5594	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M"	0
"976617"	1130.54101	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-H2O-H"	-19.01839
"64128"	765.365657333333	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M-3H"	-3.021828
"509888"	1148.552124	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M-3H"	-3.021828
"888784"	382.179190666667	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-3H"	-3.021828
"9545"	1148.552124	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M-2H"	-2.014552
"449105"	1723.331824	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M-2H"	-2.014552
"822534"	573.772424	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-2H"	-2.014552
"87996"	2298.111524	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M-H"	-1.007276
"526463"	3447.670924	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M-H"	-1.007276
"904265"	1148.552124	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-H"	-1.007276
"54267"	2315.138071	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M-2H+NH4"	16.019271
"491641"	3464.697471	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M-2H+NH4"	16.019271
"870541"	1165.578671	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-2H+NH4"	16.019271
"40629"	2320.093466	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M-2H+Na"	20.974666
"482015"	3469.652866	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M-2H+Na"	20.974666
"859817"	1170.534066	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-2H+Na"	20.974666
"1632264"	1170.534066	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Na-2H"	20.974666
"98587"	1166.540463	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M-H+Cl"	33.962126
"542520"	1741.320163	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M-H+Cl"	33.962126
"936035"	591.760763	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-H+Cl"	33.962126
"276779"	2334.088202	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+Cl"	34.969402
"670294"	3483.647602	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+Cl"	34.969402
"1284889"	1184.528802	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Cl"	34.969402
"25254"	2336.067406	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M-2H+K"	36.948606
"464816"	3485.626806	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M-2H+K"	36.948606
"836063"	1186.508006	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-2H+K"	36.948606
"1562833"	1186.508006	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+K-2H"	36.948606
"949622"	1194.557594	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-H+HCOOH"	44.998194
"366743"	2344.117001	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+HCOOH-H"	44.998201
"349532"	2358.132651	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+Hac-H"	59.013851
"1495084"	1208.573251	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Hac-H"	59.013851
"962991"	1216.539551	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-H+NaCOOH"	66.980151
"114084"	1184.528802	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+2Cl"	69.938804
"562027"	1759.308502	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+2Cl"	69.938804
"1027546"	609.749102	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2Cl"	69.938804
"1246030"	1228.478285	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Br"	78.918885
"1313944"	1230.534272	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Cl+HCOOH"	80.974872
"1325973"	1252.516229	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Cl+NaCOOH"	102.956829
"914115"	1262.544986	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M-H+CF3COOH"	112.985586
"1294836"	1298.521664	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Cl+CF3COOH"	148.962264
"1372999"	1114.546724	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H-2H2O"	-35.012676
"1387212"	1132.5567	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H-H2O"	-17.0027
"291276"	2300.126076	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+H"	1.007276
"689900"	3449.685476	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+H"	1.007276
"1365519"	1150.566676	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H"	1.007276
"139139"	1150.566676	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+2H"	2.014552
"576146"	1725.346376	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+2H"	2.014552
"1049319"	575.786976	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2H"	2.014552
"216125"	767.380209333333	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+3H"	3.021828
"653134"	1150.566676	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+3H"	3.021828
"1171259"	384.193742666667	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+3H"	3.021828
"431251"	2317.152623	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+NH4"	18.033823
"792245"	3466.712023	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+NH4"	18.033823
"1688578"	1167.593223	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+NH4"	18.033823
"336854"	1159.0799495	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+H+NH4"	19.041099
"728184"	1733.8596495	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+H+NH4"	19.041099
"1483096"	584.3002495	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H+NH4"	19.041099
"408103"	2322.108018	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+Na"	22.989218
"768253"	3471.667418	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+Na"	22.989218
"1617080"	1172.548618	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Na"	22.989218
"326018"	1161.557647	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+H+Na"	23.996494
"718072"	1736.337347	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+H+Na"	23.996494
"1474447"	586.777947	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H+Na"	23.996494
"1064044"	391.521056666667	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2H+Na"	25.00377
"1265356"	1182.592886	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+CH3OH+H"	33.033486
"381757"	2338.081958	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+K"	38.963158
"740565"	3487.641358	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+K"	38.963158
"1541522"	1188.522558	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+K"	38.963158
"301248"	1169.544617	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+H+K"	39.970434
"695857"	1744.324317	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+H+K"	39.970434
"1450406"	594.764917	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H+K"	39.970434
"242288"	2341.152626	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+ACN+H"	42.033826
"1219371"	1191.593226	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+ACN+H"	42.033826
"1205440"	596.300251	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+ACN+2H"	43.041102
"200507"	2344.08996	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+2Na-H"	44.97116
"641524"	3493.64936	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+2Na-H"	44.97116
"1144300"	1194.53056	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2Na-H"	44.97116
"181395"	1172.548618	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+2Na"	45.978436
"618768"	1747.328318	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+2Na"	45.978436
"1121182"	597.768918	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2Na"	45.978436
"1405799"	398.848370666667	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H+2Na"	46.985712
"1442290"	1196.572146	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H+HCOOH"	47.012746
"230888"	1177.58164	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+3H2O+2H"	56.04448
"1518959"	1210.62419	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+IsoProp+H"	61.06479
"422292"	1180.535588	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+Na+K"	61.952376
"778551"	1755.315288	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+Na+K"	61.952376
"1673789"	605.755888	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Na+K"	61.952376
"258129"	2363.134568	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+ACN+Na"	64.015768
"1235210"	1213.575168	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+ACN+Na"	64.015768
"1718630"	1213.598693	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+NH4+HCOOH"	64.039293
"1182890"	406.175684666667	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+3Na"	68.967654
"1659343"	1218.554088	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Na+HCOOH"	68.994688
"170579"	2376.03784	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+2K-H"	76.91904
"612327"	3525.59724	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+2K-H"	76.91904
"1092462"	1226.47844	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2K-H"	76.91904
"150373"	1188.522558	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"2M+2K"	77.926316
"587745"	1763.302258	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"3M+2K"	77.926316
"1075539"	613.742858	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2K"	77.926316
"1107654"	1228.492992	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2K+H"	78.933592
"1344040"	1228.580607	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+DMSO+H"	79.021207
"1012569"	1232.619776	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2ACN+H"	83.060376
"1528509"	1233.613408	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+IsoProp+Na+H"	84.054008
"992039"	616.813526	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+2ACN+2H"	84.067652
"1591647"	1234.528028	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+K+HCOOH"	84.968628
"1427152"	1264.559538	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+H+CF3COOH"	115.000138
"1159626"	637.326801	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+3ACN+2H"	125.094202
"1706990"	1281.586085	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+NH4+CF3COOH"	132.026685
"1644828"	1286.54148	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+Na+CF3COOH"	136.98208
"1579384"	1302.51542	"C15745"	"Aeruginopeptin 95B"	"C56H79N9O17"	"1149.5594"	"M+K+CF3COOH"	152.95602
"803557"	1044.4804	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M"	0
"977820"	1025.46201	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-H2O-H"	-19.01839
"63157"	695.312990666667	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M-3H"	-3.021828
"511091"	1043.473124	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M-3H"	-3.021828
"888894"	347.152857333333	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-3H"	-3.021828
"10748"	1043.473124	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M-2H"	-2.014552
"449215"	1565.713324	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M-2H"	-2.014552
"824831"	521.232924	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-2H"	-2.014552
"89199"	2087.953524	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M-H"	-1.007276
"528760"	3132.433924	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M-H"	-1.007276
"904375"	1043.473124	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-H"	-1.007276
"54377"	2104.980071	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M-2H+NH4"	16.019271
"492843"	3149.460471	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M-2H+NH4"	16.019271
"873933"	1060.499671	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-2H+NH4"	16.019271
"40739"	2109.935466	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M-2H+Na"	20.974666
"483950"	3154.415866	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M-2H+Na"	20.974666
"861752"	1065.455066	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-2H+Na"	20.974666
"1632742"	1065.455066	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Na-2H"	20.974666
"101979"	1061.461463	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M-H+Cl"	33.962126
"547735"	1583.701663	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M-H+Cl"	33.962126
"939426"	539.221263	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-H+Cl"	33.962126
"279076"	2123.930202	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+Cl"	34.969402
"669312"	3168.410602	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+Cl"	34.969402
"1285726"	1079.449802	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Cl"	34.969402
"25364"	2125.909406	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M-2H+K"	36.948606
"464926"	3170.389806	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M-2H+K"	36.948606
"840548"	1081.429006	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-2H+K"	36.948606
"1562945"	1081.429006	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+K-2H"	36.948606
"950828"	1089.478594	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-H+HCOOH"	44.998194
"371228"	2133.959001	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+HCOOH-H"	44.998201
"352923"	2147.974651	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+Hac-H"	59.013851
"1497746"	1103.494251	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Hac-H"	59.013851
"963101"	1111.460551	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-H+NaCOOH"	66.980151
"113829"	1079.449802	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+2Cl"	69.938804
"561043"	1601.690002	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+2Cl"	69.938804
"1032030"	557.209602	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2Cl"	69.938804
"1251607"	1123.399285	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Br"	78.918885
"1311867"	1125.455272	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Cl+HCOOH"	80.974872
"1327175"	1147.437229	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Cl+NaCOOH"	102.956829
"914953"	1157.465986	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M-H+CF3COOH"	112.985586
"1293123"	1193.442664	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Cl+CF3COOH"	148.962264
"1373107"	1009.467724	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H-2H2O"	-35.012676
"1386593"	1027.4777	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H-H2O"	-17.0027
"290293"	2089.968076	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+H"	1.007276
"690980"	3134.448476	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+H"	1.007276
"1366600"	1045.487676	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H"	1.007276
"139247"	1045.487676	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+2H"	2.014552
"577716"	1567.727876	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+2H"	2.014552
"1046513"	523.247476	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2H"	2.014552
"216966"	697.327542666667	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+3H"	3.021828
"651058"	1045.487676	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+3H"	3.021828
"1172464"	349.167409333333	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+3H"	3.021828
"428082"	2106.994623	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+NH4"	18.033823
"792355"	3151.475023	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+NH4"	18.033823
"1689781"	1062.514223	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+NH4"	18.033823
"338057"	1054.0009495	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+H+NH4"	19.041099
"725379"	1576.2411495	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+H+NH4"	19.041099
"1482113"	531.7607495	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H+NH4"	19.041099
"406634"	2111.950018	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+Na"	22.989218
"767632"	3156.430418	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+Na"	22.989218
"1617552"	1067.469618	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Na"	22.989218
"327220"	1056.478647	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+H+Na"	23.996494
"717817"	1578.718847	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+H+Na"	23.996494
"1470543"	534.238447	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H+Na"	23.996494
"1060508"	356.494723333333	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2H+Na"	25.00377
"1262186"	1077.513886	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+CH3OH+H"	33.033486
"387334"	2127.923958	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+K"	38.963158
"743956"	3172.404358	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+K"	38.963158
"1547101"	1083.443558	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+K"	38.963158
"303183"	1064.465617	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+H+K"	39.970434
"694508"	1586.705817	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+H+K"	39.970434
"1450515"	542.225417	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H+K"	39.970434
"241304"	2130.994626	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+ACN+H"	42.033826
"1219481"	1086.514226	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+ACN+H"	42.033826
"1204457"	543.760751	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+ACN+2H"	43.041102
"202805"	2133.93196	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+2Na-H"	44.97116
"641998"	3178.41236	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+2Na-H"	44.97116
"1144774"	1089.45156	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2Na-H"	44.97116
"179318"	1067.469618	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+2Na"	45.978436
"619971"	1589.709818	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+2Na"	45.978436
"1122386"	545.229418	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2Na"	45.978436
"1409189"	363.822037333333	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H+2Na"	46.985712
"1435836"	1091.493146	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H+HCOOH"	47.012746
"226625"	1072.50264	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+3H2O+2H"	56.04448
"1517976"	1105.54519	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+IsoProp+H"	61.06479
"422035"	1075.456588	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+Na+K"	61.952376
"777568"	1597.696788	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+Na+K"	61.952376
"1674993"	553.216388	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Na+K"	61.952376
"258239"	2152.976568	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+ACN+Na"	64.015768
"1237508"	1108.496168	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+ACN+Na"	64.015768
"1724207"	1108.519693	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+NH4+HCOOH"	64.039293
"1189561"	371.149351333333	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+3Na"	68.967654
"1663827"	1113.475088	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Na+HCOOH"	68.994688
"172513"	2165.87984	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+2K-H"	76.91904
"612197"	3210.36024	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+2K-H"	76.91904
"1093665"	1121.39944	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2K-H"	76.91904
"150481"	1083.443558	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"2M+2K"	77.926316
"588948"	1605.683758	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"3M+2K"	77.926316
"1075649"	561.203358	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2K"	77.926316
"1107765"	1123.413992	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2K+H"	78.933592
"1344151"	1123.501607	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+DMSO+H"	79.021207
"1013772"	1127.540776	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2ACN+H"	83.060376
"1529712"	1128.534408	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+IsoProp+Na+H"	84.054008
"991785"	564.274026	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+2ACN+2H"	84.067652
"1591757"	1129.449028	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+K+HCOOH"	84.968628
"1428355"	1159.480538	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+H+CF3COOH"	115.000138
"1159736"	584.787301	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+3ACN+2H"	125.094202
"1707100"	1176.507085	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+NH4+CF3COOH"	132.026685
"1644938"	1181.46248	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+Na+CF3COOH"	136.98208
"1576215"	1197.43642	"C15746"	"Aeruginopeptin 228A"	"C52H68N8O15"	"1044.4804"	"M+K+CF3COOH"	152.95602
"805489"	1048.5117	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M"	0
"976104"	1029.49331	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-H2O-H"	-19.01839
"63982"	698.000524	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M-3H"	-3.021828
"505729"	1047.504424	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M-3H"	-3.021828
"881465"	348.496624	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-3H"	-3.021828
"1620"	1047.504424	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M-2H"	-2.014552
"446046"	1571.760274	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M-2H"	-2.014552
"822753"	523.248574	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-2H"	-2.014552
"81650"	2096.016124	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M-H"	-1.007276
"523400"	3144.527824	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M-H"	-1.007276
"903388"	1047.504424	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-H"	-1.007276
"55580"	2113.042671	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M-2H+NH4"	16.019271
"495141"	3161.554371	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M-2H+NH4"	16.019271
"875136"	1064.530971	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-2H+NH4"	16.019271
"40849"	2117.998066	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M-2H+Na"	20.974666
"485153"	3166.509766	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M-2H+Na"	20.974666
"862227"	1069.486366	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-2H+Na"	20.974666
"1632729"	1069.486366	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Na-2H"	20.974666
"105369"	1065.492763	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M-H+Cl"	33.962126
"549302"	1589.748613	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M-H+Cl"	33.962126
"940630"	541.236913	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-H+Cl"	33.962126
"281373"	2131.992802	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+Cl"	34.969402
"670516"	3180.504502	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+Cl"	34.969402
"1285106"	1083.481102	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Cl"	34.969402
"27662"	2133.972006	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M-2H+K"	36.948606
"463942"	3182.483706	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M-2H+K"	36.948606
"842844"	1085.460306	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-2H+K"	36.948606
"1566334"	1085.460306	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+K-2H"	36.948606
"952032"	1093.509894	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-H+HCOOH"	44.998194
"373524"	2142.021601	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+HCOOH-H"	44.998201
"355220"	2156.037251	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+Hac-H"	59.013851
"1496763"	1107.525551	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Hac-H"	59.013851
"962847"	1115.491851	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-H+NaCOOH"	66.980151
"118314"	1083.481102	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+2Cl"	69.938804
"565284"	1607.736952	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+2Cl"	69.938804
"1034327"	559.225252	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2Cl"	69.938804
"1253904"	1127.430585	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Br"	78.918885
"1315257"	1129.486572	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Cl+HCOOH"	80.974872
"1327285"	1151.468529	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Cl+NaCOOH"	102.956829
"917250"	1161.497286	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M-H+CF3COOH"	112.985586
"1294326"	1197.473964	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Cl+CF3COOH"	148.962264
"1372488"	1013.499024	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H-2H2O"	-35.012676
"1386703"	1031.509	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H-H2O"	-17.0027
"290403"	2098.030676	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+H"	1.007276
"691171"	3146.542376	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+H"	1.007276
"1361726"	1049.518976	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H"	1.007276
"139357"	1049.518976	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+2H"	2.014552
"575637"	1573.774826	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+2H"	2.014552
"1043707"	525.263126	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2H"	2.014552
"214524"	700.015076	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+3H"	3.021828
"657364"	1049.518976	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+3H"	3.021828
"1176948"	350.511176	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+3H"	3.021828
"429285"	2115.057223	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+NH4"	18.033823
"792465"	3163.568923	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+NH4"	18.033823
"1687705"	1066.545523	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+NH4"	18.033823
"334889"	1058.0322495	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+H+NH4"	19.041099
"728400"	1582.2880995	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+H+NH4"	19.041099
"1482223"	533.7763995	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H+NH4"	19.041099
"406378"	2120.012618	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+Na"	22.989218
"765183"	3168.524318	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+Na"	22.989218
"1616567"	1071.500918	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Na"	22.989218
"326601"	1060.509947	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+H+Na"	23.996494
"719386"	1584.765797	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+H+Na"	23.996494
"1470653"	536.254097	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H+Na"	23.996494
"1064263"	357.83849	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2H+Na"	25.00377
"1263389"	1081.545186	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+CH3OH+H"	33.033486
"386351"	2135.986558	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+K"	38.963158
"744066"	3184.498258	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+K"	38.963158
"1548305"	1087.474858	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+K"	38.963158
"304386"	1068.496917	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+H+K"	39.970434
"694982"	1592.752767	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+H+K"	39.970434
"1452812"	544.241067	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H+K"	39.970434
"242508"	2139.057226	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+ACN+H"	42.033826
"1224938"	1090.545526	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+ACN+H"	42.033826
"1205661"	545.776401	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+ACN+2H"	43.041102
"202552"	2141.99456	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+2Na-H"	44.97116
"642473"	3190.50626	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+2Na-H"	44.97116
"1143790"	1093.48286	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2Na-H"	44.97116
"182706"	1071.500918	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+2Na"	45.978436
"617894"	1595.756768	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+2Na"	45.978436
"1125776"	547.245068	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2Na"	45.978436
"1408206"	365.165804	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H+2Na"	46.985712
"1437039"	1095.524446	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H+HCOOH"	47.012746
"227828"	1076.53394	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+3H2O+2H"	56.04448
"1519179"	1109.57649	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+IsoProp+H"	61.06479
"419958"	1079.487888	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+Na+K"	61.952376
"778771"	1603.743738	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+Na+K"	61.952376
"1674009"	555.232038	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Na+K"	61.952376
"257255"	2161.039168	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+ACN+Na"	64.015768
"1238346"	1112.527468	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+ACN+Na"	64.015768
"1722130"	1112.550993	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+NH4+HCOOH"	64.039293
"1189671"	372.493118	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+3Na"	68.967654
"1661750"	1117.506388	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Na+HCOOH"	68.994688
"172381"	2173.94244	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+2K-H"	76.91904
"610236"	3222.45414	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+2K-H"	76.91904
"1097055"	1125.43074	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2K-H"	76.91904
"150591"	1087.474858	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"2M+2K"	77.926316
"587965"	1611.730708	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"3M+2K"	77.926316
"1082199"	563.219008	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2K"	77.926316
"1107875"	1127.445292	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2K+H"	78.933592
"1344261"	1127.532907	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+DMSO+H"	79.021207
"1016069"	1131.572076	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2ACN+H"	83.060376
"1529821"	1132.565708	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+IsoProp+Na+H"	84.054008
"991166"	566.289676	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+2ACN+2H"	84.067652
"1591867"	1133.480328	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+K+HCOOH"	84.968628
"1419715"	1163.511838	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+H+CF3COOH"	115.000138
"1159846"	586.802951	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+3ACN+2H"	125.094202
"1707210"	1180.538385	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+NH4+CF3COOH"	132.026685
"1645048"	1185.49378	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+Na+CF3COOH"	136.98208
"1576325"	1201.46772	"C15747"	"Aeruginopeptin 228B"	"C52H72N8O15"	"1048.5117"	"M+K+CF3COOH"	152.95602
"806693"	1072.5117	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M"	0
"975728"	1053.49331	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-H2O-H"	-19.01839
"64334"	714.000524	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M-3H"	-3.021828
"504623"	1071.504424	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M-3H"	-3.021828
"881332"	356.496624	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-3H"	-3.021828
"2459"	1071.504424	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M-2H"	-2.014552
"445060"	1607.760274	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M-2H"	-2.014552
"822861"	535.248574	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-2H"	-2.014552
"81031"	2144.016124	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M-H"	-1.007276
"523873"	3216.527824	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M-H"	-1.007276
"901311"	1071.504424	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-H"	-1.007276
"60912"	2161.042671	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M-2H+NH4"	16.019271
"497434"	3233.554371	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M-2H+NH4"	16.019271
"875246"	1088.530971	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-2H+NH4"	16.019271
"42052"	2165.998066	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M-2H+Na"	20.974666
"486357"	3238.509766	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M-2H+Na"	20.974666
"862944"	1093.486366	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-2H+Na"	20.974666
"1633328"	1093.486366	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Na-2H"	20.974666
"109330"	1089.492763	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M-H+Cl"	33.962126
"549291"	1625.748613	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M-H+Cl"	33.962126
"941833"	553.236913	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-H+Cl"	33.962126
"282214"	2179.992802	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+Cl"	34.969402
"672813"	3252.504502	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+Cl"	34.969402
"1288012"	1107.481102	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Cl"	34.969402
"28865"	2181.972006	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M-2H+K"	36.948606
"464052"	3254.483706	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M-2H+K"	36.948606
"842954"	1109.460306	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-2H+K"	36.948606
"1568266"	1109.460306	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+K-2H"	36.948606
"952871"	1117.509894	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-H+HCOOH"	44.998194
"370354"	2190.021601	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+HCOOH-H"	44.998201
"355330"	2204.037251	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+Hac-H"	59.013851
"1499789"	1131.525551	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Hac-H"	59.013851
"966237"	1139.491851	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-H+NaCOOH"	66.980151
"115144"	1107.481102	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+2Cl"	69.938804
"565315"	1643.736952	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+2Cl"	69.938804
"1034436"	571.225252	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2Cl"	69.938804
"1251827"	1151.430585	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Br"	78.918885
"1312451"	1153.486572	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Cl+HCOOH"	80.974872
"1327395"	1175.468529	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Cl+NaCOOH"	102.956829
"917360"	1185.497286	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M-H+CF3COOH"	112.985586
"1294072"	1221.473964	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Cl+CF3COOH"	148.962264
"1370775"	1037.499024	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H-2H2O"	-35.012676
"1384625"	1055.509	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H-H2O"	-17.0027
"290513"	2146.030676	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+H"	1.007276
"690229"	3218.542376	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+H"	1.007276
"1362200"	1073.518976	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H"	1.007276
"141197"	1073.518976	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+2H"	2.014552
"576477"	1609.774826	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+2H"	2.014552
"1044910"	537.263126	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2H"	2.014552
"217184"	716.015076	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+3H"	3.021828
"657110"	1073.518976	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+3H"	3.021828
"1176328"	358.511176	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+3H"	3.021828
"431581"	2163.057223	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+NH4"	18.033823
"793668"	3235.568923	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+NH4"	18.033823
"1690001"	1090.545523	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+NH4"	18.033823
"337185"	1082.0322495	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+H+NH4"	19.041099
"728510"	1618.2880995	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+H+NH4"	19.041099
"1484519"	545.7763995	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H+NH4"	19.041099
"406487"	2168.012618	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+Na"	22.989218
"764200"	3240.524318	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+Na"	22.989218
"1616677"	1095.500918	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Na"	22.989218
"324525"	1084.509947	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+H+Na"	23.996494
"718767"	1620.765797	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+H+Na"	23.996494
"1470399"	548.254097	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H+Na"	23.996494
"1063645"	365.83849	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2H+Na"	25.00377
"1262405"	1105.545186	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+CH3OH+H"	33.033486
"388644"	2183.986558	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+K"	38.963158
"744175"	3256.498258	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+K"	38.963158
"1548415"	1111.474858	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+K"	38.963158
"304496"	1092.496917	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+H+K"	39.970434
"697278"	1628.752767	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+H+K"	39.970434
"1449641"	556.241067	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H+K"	39.970434
"241524"	2187.057226	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+ACN+H"	42.033826
"1219702"	1114.545526	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+ACN+H"	42.033826
"1206864"	557.776401	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+ACN+2H"	43.041102
"202659"	2189.99456	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+2Na-H"	44.97116
"642218"	3262.50626	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+2Na-H"	44.97116
"1142806"	1117.48286	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2Na-H"	44.97116
"179537"	1095.500918	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+2Na"	45.978436
"619098"	1631.756768	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+2Na"	45.978436
"1125885"	559.245068	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2Na"	45.978436
"1408316"	373.165804	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H+2Na"	46.985712
"1438243"	1119.524446	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H+HCOOH"	47.012746
"227938"	1100.53394	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+3H2O+2H"	56.04448
"1518195"	1133.57649	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+IsoProp+H"	61.06479
"420068"	1103.487888	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+Na+K"	61.952376
"778880"	1639.743738	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+Na+K"	61.952376
"1674119"	567.232038	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Na+K"	61.952376
"257365"	2209.039168	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+ACN+Na"	64.015768
"1236635"	1136.527468	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+ACN+Na"	64.015768
"1721147"	1136.550993	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+NH4+HCOOH"	64.039293
"1189781"	380.493118	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+3Na"	68.967654
"1664047"	1141.506388	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Na+HCOOH"	68.994688
"172367"	2221.94244	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+2K-H"	76.91904
"612493"	3294.45414	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+2K-H"	76.91904
"1098503"	1149.43074	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2K-H"	76.91904
"150701"	1111.474858	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"2M+2K"	77.926316
"592448"	1647.730708	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"3M+2K"	77.926316
"1079150"	575.219008	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2K"	77.926316
"1107984"	1151.445292	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2K+H"	78.933592
"1344371"	1151.532907	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+DMSO+H"	79.021207
"1015086"	1155.572076	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2ACN+H"	83.060376
"1528838"	1156.565708	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+IsoProp+Na+H"	84.054008
"992367"	578.289676	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+2ACN+2H"	84.067652
"1591977"	1157.480328	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+K+HCOOH"	84.968628
"1423105"	1187.511838	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+H+CF3COOH"	115.000138
"1156675"	598.802951	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+3ACN+2H"	125.094202
"1708413"	1204.538385	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+NH4+CF3COOH"	132.026685
"1645158"	1209.49378	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+Na+CF3COOH"	136.98208
"1576435"	1225.46772	"C15748"	"Aeruginopeptin 917S-A;Microcystilide A"	"C54H72N8O15"	"1072.5117"	"M+K+CF3COOH"	152.95602
"806803"	1076.543	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M"	0
"974351"	1057.52461	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-H2O-H"	-19.01839
"64323"	716.688057333333	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M-3H"	-3.021828
"504855"	1075.535724	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M-3H"	-3.021828
"880956"	357.840390666667	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-3H"	-3.021828
"2690"	1075.535724	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M-2H"	-2.014552
"445170"	1613.807224	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M-2H"	-2.014552
"822971"	537.264224	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-2H"	-2.014552
"80048"	2152.078724	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M-H"	-1.007276
"520703"	3228.621724	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M-H"	-1.007276
"902514"	1075.535724	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-H"	-1.007276
"56891"	2169.105271	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M-2H+NH4"	16.019271
"494264"	3245.648271	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M-2H+NH4"	16.019271
"877542"	1092.562271	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-2H+NH4"	16.019271
"43255"	2174.060666	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M-2H+Na"	20.974666
"485617"	3250.603666	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M-2H+Na"	20.974666
"862448"	1097.517666	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-2H+Na"	20.974666
"1632709"	1097.517666	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Na-2H"	20.974666
"107776"	1093.524063	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M-H+Cl"	33.962126
"546242"	1631.795563	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M-H+Cl"	33.962126
"939756"	555.252563	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-H+Cl"	33.962126
"282282"	2188.055402	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+Cl"	34.969402
"672922"	3264.598402	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+Cl"	34.969402
"1283139"	1111.512402	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Cl"	34.969402
"25695"	2190.034606	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M-2H+K"	36.948606
"461975"	3266.577606	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M-2H+K"	36.948606
"841971"	1113.491606	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-2H+K"	36.948606
"1568740"	1113.491606	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+K-2H"	36.948606
"952981"	1121.541194	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-H+HCOOH"	44.998194
"370464"	2198.084201	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+HCOOH-H"	44.998201
"355440"	2212.099851	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+Hac-H"	59.013851
"1497347"	1135.556851	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Hac-H"	59.013851
"966347"	1143.523151	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-H+NaCOOH"	66.980151
"115618"	1111.512402	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+2Cl"	69.938804
"562466"	1649.783902	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+2Cl"	69.938804
"1031267"	573.240902	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2Cl"	69.938804
"1253031"	1155.461885	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Br"	78.918885
"1314384"	1157.517872	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Cl+HCOOH"	80.974872
"1326412"	1179.499829	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Cl+NaCOOH"	102.956829
"915648"	1189.528586	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M-H+CF3COOH"	112.985586
"1290900"	1225.505264	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Cl+CF3COOH"	148.962264
"1368698"	1041.530324	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H-2H2O"	-35.012676
"1384371"	1059.5403	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H-H2O"	-17.0027
"290623"	2154.093276	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+H"	1.007276
"689975"	3230.636276	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+H"	1.007276
"1362674"	1077.550276	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H"	1.007276
"137389"	1077.550276	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+2H"	2.014552
"575493"	1615.821776	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+2H"	2.014552
"1042833"	539.278776	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2H"	2.014552
"218025"	718.702609333333	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+3H"	3.021828
"656127"	1077.550276	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+3H"	3.021828
"1174979"	359.854942666667	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+3H"	3.021828
"432783"	2171.119823	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+NH4"	18.033823
"792685"	3247.662823	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+NH4"	18.033823
"1689015"	1094.576823	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+NH4"	18.033823
"341666"	1086.0635495	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+H+NH4"	19.041099
"728620"	1624.3350495	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+H+NH4"	19.041099
"1483536"	547.7920495	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H+NH4"	19.041099
"406597"	2176.075218	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+Na"	22.989218
"764310"	3252.618218	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+Na"	22.989218
"1614600"	1099.532218	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Na"	22.989218
"324271"	1088.541247	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+H+Na"	23.996494
"719971"	1626.812747	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+H+Na"	23.996494
"1471604"	550.269747	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H+Na"	23.996494
"1062297"	367.182256666667	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2H+Na"	25.00377
"1265796"	1109.576486	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+CH3OH+H"	33.033486
"386567"	2192.049158	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+K"	38.963158
"748656"	3268.592158	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+K"	38.963158
"1550710"	1115.506158	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+K"	38.963158
"303513"	1096.528217	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+H+K"	39.970434
"694838"	1634.799717	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+H+K"	39.970434
"1448658"	558.256717	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H+K"	39.970434
"239448"	2195.119826	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+ACN+H"	42.033826
"1216531"	1118.576826	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+ACN+H"	42.033826
"1204786"	559.792051	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+ACN+2H"	43.041102
"203376"	2198.05716	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+2Na-H"	44.97116
"641235"	3274.60016	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+2Na-H"	44.97116
"1139637"	1121.51416	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2Na-H"	44.97116
"178554"	1099.532218	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+2Na"	45.978436
"619208"	1637.803718	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+2Na"	45.978436
"1124902"	561.260718	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2Na"	45.978436
"1408426"	374.509570666667	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H+2Na"	46.985712
"1436896"	1123.555746	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H+HCOOH"	47.012746
"226591"	1104.56524	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+3H2O+2H"	56.04448
"1519397"	1137.60779	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+IsoProp+H"	61.06479
"420177"	1107.519188	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+Na+K"	61.952376
"775710"	1645.790688	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+Na+K"	61.952376
"1668762"	569.247688	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Na+K"	61.952376
"258569"	2217.101768	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+ACN+Na"	64.015768
"1235650"	1140.558768	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+ACN+Na"	64.015768
"1723444"	1140.582293	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+NH4+HCOOH"	64.039293
"1188798"	381.836884666667	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+3Na"	68.967654
"1664157"	1145.537688	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Na+HCOOH"	68.994688
"172681"	2230.00504	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+2K-H"	76.91904
"611914"	3306.54804	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+2K-H"	76.91904
"1096182"	1153.46204	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2K-H"	76.91904
"150811"	1115.506158	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"2M+2K"	77.926316
"592558"	1653.777658	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"3M+2K"	77.926316
"1079260"	577.234658	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2K"	77.926316
"1108094"	1155.476592	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2K+H"	78.933592
"1344481"	1155.564207	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+DMSO+H"	79.021207
"1016289"	1159.603376	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2ACN+H"	83.060376
"1531134"	1160.597008	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+IsoProp+Na+H"	84.054008
"994300"	580.305326	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+2ACN+2H"	84.067652
"1592087"	1161.511628	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+K+HCOOH"	84.968628
"1419934"	1191.543138	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+H+CF3COOH"	115.000138
"1157878"	600.818601	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+3ACN+2H"	125.094202
"1707430"	1208.569685	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+NH4+CF3COOH"	132.026685
"1645268"	1213.52508	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+Na+CF3COOH"	136.98208
"1576545"	1229.49902	"C15749"	"Aeruginopeptin 917S-B"	"C54H76N8O15"	"1076.543"	"M+K+CF3COOH"	152.95602
"806913"	1022.5324	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M"	0
"976070"	1003.51401	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-H2O-H"	-19.01839
"66499"	680.680990666667	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M-3H"	-3.021828
"506423"	1021.525124	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M-3H"	-3.021828
"883860"	339.836857333333	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-3H"	-3.021828
"5716"	1021.525124	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M-2H"	-2.014552
"445280"	1532.791324	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M-2H"	-2.014552
"823082"	510.258924	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-2H"	-2.014552
"81980"	2044.057524	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M-H"	-1.007276
"520449"	3066.589924	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M-H"	-1.007276
"901531"	1021.525124	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-H"	-1.007276
"57001"	2061.084071	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M-2H+NH4"	16.019271
"492188"	3083.616471	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M-2H+NH4"	16.019271
"875465"	1038.551671	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-2H+NH4"	16.019271
"43365"	2066.039466	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M-2H+Na"	20.974666
"485848"	3088.571866	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M-2H+Na"	20.974666
"862191"	1043.507066	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-2H+Na"	20.974666
"1632089"	1043.507066	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Na-2H"	20.974666
"102419"	1039.513463	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M-H+Cl"	33.962126
"546352"	1550.779663	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M-H+Cl"	33.962126
"940961"	528.247263	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-H+Cl"	33.962126
"277329"	2080.034202	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+Cl"	34.969402
"673399"	3102.566602	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+Cl"	34.969402
"1285436"	1057.501802	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Cl"	34.969402
"25805"	2082.013406	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M-2H+K"	36.948606
"464272"	3104.545806	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M-2H+K"	36.948606
"844265"	1059.481006	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-2H+K"	36.948606
"1565571"	1059.481006	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+K-2H"	36.948606
"951265"	1067.530594	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-H+HCOOH"	44.998194
"369482"	2090.063001	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+HCOOH-H"	44.998201
"349718"	2104.078651	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+Hac-H"	59.013851
"1495267"	1081.546251	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Hac-H"	59.013851
"959527"	1089.512551	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-H+NaCOOH"	66.980151
"112082"	1057.501802	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+2Cl"	69.938804
"561484"	1568.768002	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+2Cl"	69.938804
"1025545"	546.235602	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2Cl"	69.938804
"1246945"	1101.451285	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Br"	78.918885
"1313403"	1103.507272	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Cl+HCOOH"	80.974872
"1330535"	1125.489229	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Cl+NaCOOH"	102.956829
"917945"	1135.517986	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M-H+CF3COOH"	112.985586
"1292832"	1171.494664	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Cl+CF3COOH"	148.962264
"1369901"	987.519724	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H-2H2O"	-35.012676
"1389950"	1005.5297	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H-H2O"	-17.0027
"295839"	2046.072076	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+H"	1.007276
"689354"	3068.604476	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+H"	1.007276
"1366070"	1023.539676	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H"	1.007276
"140053"	1023.539676	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+2H"	2.014552
"574145"	1534.805876	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+2H"	2.014552
"1041850"	512.273476	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2H"	2.014552
"217406"	682.695542666667	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+3H"	3.021828
"653685"	1023.539676	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+3H"	3.021828
"1166345"	341.851409333333	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+3H"	3.021828
"436175"	2063.098623	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+NH4"	18.033823
"792799"	3085.631023	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+NH4"	18.033823
"1689129"	1040.566223	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+NH4"	18.033823
"340685"	1032.0529495	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+H+NH4"	19.041099
"729829"	1543.3191495	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+H+NH4"	19.041099
"1486932"	520.7867495	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H+NH4"	19.041099
"406342"	2068.054018	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+Na"	22.989218
"769410"	3090.586418	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+Na"	22.989218
"1616166"	1045.521618	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Na"	22.989218
"328028"	1034.530647	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+H+Na"	23.996494
"720449"	1545.796847	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+H+Na"	23.996494
"1473174"	523.264447	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H+Na"	23.996494
"1066053"	349.178723333333	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2H+Na"	25.00377
"1268459"	1055.565886	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+CH3OH+H"	33.033486
"387770"	2084.027958	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+K"	38.963158
"748766"	3106.560358	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+K"	38.963158
"1548630"	1061.495558	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+K"	38.963158
"304715"	1042.517617	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+H+K"	39.970434
"696040"	1553.783817	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+H+K"	39.970434
"1450226"	531.251417	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H+K"	39.970434
"241746"	2087.098626	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+ACN+H"	42.033826
"1219922"	1064.566226	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+ACN+H"	42.033826
"1205990"	532.786751	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+ACN+2H"	43.041102
"202515"	2090.03596	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+2Na-H"	44.97116
"642075"	3112.56836	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+2Na-H"	44.97116
"1141932"	1067.50356	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2Na-H"	44.97116
"179759"	1045.521618	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+2Na"	45.978436
"618226"	1556.787818	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+2Na"	45.978436
"1120639"	534.255418	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2Na"	45.978436
"1404163"	356.506037333333	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H+2Na"	46.985712
"1435185"	1069.545146	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H+HCOOH"	47.012746
"232170"	1050.55464	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+3H2O+2H"	56.04448
"1516224"	1083.59719	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+IsoProp+H"	61.06479
"421380"	1053.508588	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+Na+K"	61.952376
"783110"	1564.774788	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+Na+K"	61.952376
"1671060"	542.242388	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Na+K"	61.952376
"258679"	2109.080568	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+ACN+Na"	64.015768
"1235760"	1086.548168	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+ACN+Na"	64.015768
"1719181"	1086.571693	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+NH4+HCOOH"	64.039293
"1184534"	363.833351333333	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+3Na"	68.967654
"1657706"	1091.527088	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Na+HCOOH"	68.994688
"171126"	2121.98384	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+2K-H"	76.91904
"609594"	3144.51624	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+2K-H"	76.91904
"1096292"	1099.45144	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2K-H"	76.91904
"150921"	1061.495558	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"2M+2K"	77.926316
"591576"	1572.761758	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"3M+2K"	77.926316
"1077182"	550.229358	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2K"	77.926316
"1109300"	1101.465992	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2K+H"	78.933592
"1347870"	1101.553607	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+DMSO+H"	79.021207
"1012027"	1105.592776	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2ACN+H"	83.060376
"1529057"	1106.586408	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+IsoProp+Na+H"	84.054008
"1000975"	553.300026	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+2ACN+2H"	84.067652
"1588917"	1107.501028	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+K+HCOOH"	84.968628
"1423326"	1137.532538	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+H+CF3COOH"	115.000138
"1154708"	573.813301	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+3ACN+2H"	125.094202
"1702072"	1154.559085	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+NH4+CF3COOH"	132.026685
"1645377"	1159.51448	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+Na+CF3COOH"	136.98208
"1586496"	1175.48842	"C15750"	"Aeruginopeptin 917S-C"	"C51H74N8O14"	"1022.5324"	"M+K+CF3COOH"	152.95602
"807023"	621.385	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M"	0
"975205"	602.36661	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-H2O-H"	-19.01839
"69889"	413.249390666667	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M-3H"	-3.021828
"505076"	620.377724	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M-3H"	-3.021828
"880813"	206.121057333333	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-3H"	-3.021828
"1574"	620.377724	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M-2H"	-2.014552
"445390"	931.070224	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M-2H"	-2.014552
"825378"	309.685224	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-2H"	-2.014552
"84277"	1241.762724	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M-H"	-1.007276
"523839"	1863.147724	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M-H"	-1.007276
"902734"	620.377724	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-H"	-1.007276
"58205"	1258.789271	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M-2H+NH4"	16.019271
"493391"	1880.174271	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M-2H+NH4"	16.019271
"872292"	637.404271	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-2H+NH4"	16.019271
"41289"	1263.744666	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M-2H+Na"	20.974666
"483404"	1885.129666	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M-2H+Na"	20.974666
"861936"	642.359666	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-2H+Na"	20.974666
"1632562"	642.359666	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Na-2H"	20.974666
"95967"	638.366063	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M-H+Cl"	33.962126
"539901"	949.058563	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M-H+Cl"	33.962126
"933416"	327.673563	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-H+Cl"	33.962126
"274159"	1277.739402	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+Cl"	34.969402
"659986"	1899.124402	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+Cl"	34.969402
"1274609"	656.354402	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Cl"	34.969402
"21540"	1279.718606	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M-2H+K"	36.948606
"464382"	1901.103606	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M-2H+K"	36.948606
"838543"	658.333606	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-2H+K"	36.948606
"1564587"	658.333606	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+K-2H"	36.948606
"950282"	666.383194	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-H+HCOOH"	44.998194
"368499"	1287.768201	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+HCOOH-H"	44.998201
"350556"	1301.783851	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+Hac-H"	59.013851
"1498296"	680.398851	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Hac-H"	59.013851
"960368"	688.365151	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-H+NaCOOH"	66.980151
"110975"	656.354402	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+2Cl"	69.938804
"559409"	967.046902	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+2Cl"	69.938804
"1027113"	345.661902	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2Cl"	69.938804
"1245597"	700.303885	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Br"	78.918885
"1308774"	702.359872	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Cl+HCOOH"	80.974872
"1329917"	724.341829	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Cl+NaCOOH"	102.956829
"918785"	734.370586	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M-H+CF3COOH"	112.985586
"1289662"	770.347264	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Cl+CF3COOH"	148.962264
"1369039"	586.372324	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H-2H2O"	-35.012676
"1387144"	604.3823	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H-H2O"	-17.0027
"288653"	1243.777276	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+H"	1.007276
"689343"	1865.162276	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+H"	1.007276
"1366190"	622.392276	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H"	1.007276
"140528"	622.392276	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+2H"	2.014552
"570975"	933.084776	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+2H"	2.014552
"1048887"	311.699776	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2H"	2.014552
"215694"	415.263942666667	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+3H"	3.021828
"653795"	622.392276	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+3H"	3.021828
"1168642"	208.135609333333	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+3H"	3.021828
"431911"	1260.803823	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+NH4"	18.033823
"792908"	1882.188823	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+NH4"	18.033823
"1688145"	639.418823	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+NH4"	18.033823
"341889"	630.9055495	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+H+NH4"	19.041099
"731031"	941.5980495	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+H+NH4"	19.041099
"1487040"	320.2130495	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H+NH4"	19.041099
"402442"	1265.759218	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+Na"	22.989218
"768180"	1887.144218	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+Na"	22.989218
"1611537"	644.374218	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Na"	22.989218
"326313"	633.383247	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+H+Na"	23.996494
"718371"	944.075747	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+H+Na"	23.996494
"1472189"	322.690747	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H+Na"	23.996494
"1065068"	215.462923333333	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2H+Na"	25.00377
"1261643"	654.418486	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+CH3OH+H"	33.033486
"390071"	1281.733158	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+K"	38.963158
"749970"	1903.118158	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+K"	38.963158
"1547649"	660.348158	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+K"	38.963158
"311388"	641.370217	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+H+K"	39.970434
"699433"	952.062717	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+H+K"	39.970434
"1452160"	330.677717	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H+K"	39.970434
"249876"	1284.803826	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+ACN+H"	42.033826
"1224529"	663.418826	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+ACN+H"	42.033826
"1208170"	332.213051	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+ACN+2H"	43.041102
"202262"	1287.74116	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+2Na-H"	44.97116
"642547"	1909.12616	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+2Na-H"	44.97116
"1144235"	666.35616	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2Na-H"	44.97116
"182056"	644.374218	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+2Na"	45.978436
"618337"	955.066718	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+2Na"	45.978436
"1122935"	333.681718	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2Na"	45.978436
"1404273"	222.790237333333	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H+2Na"	46.985712
"1438575"	668.397746	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H+HCOOH"	47.012746
"231917"	649.40724	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+3H2O+2H"	56.04448
"1515240"	682.44979	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+IsoProp+H"	61.06479
"421128"	652.361188	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+Na+K"	61.952376
"780667"	963.053688	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+Na+K"	61.952376
"1674082"	341.668688	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Na+K"	61.952376
"260972"	1306.785768	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+ACN+Na"	64.015768
"1233681"	685.400768	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+ACN+Na"	64.015768
"1719289"	685.424293	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+NH4+HCOOH"	64.039293
"1186830"	230.117551333333	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+3Na"	68.967654
"1660003"	690.379688	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Na+HCOOH"	68.994688
"165769"	1319.68904	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+2K-H"	76.91904
"610797"	1941.07404	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+2K-H"	76.91904
"1093122"	698.30404	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2K-H"	76.91904
"151031"	660.348158	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"2M+2K"	77.926316
"588406"	971.040658	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"3M+2K"	77.926316
"1076198"	349.655658	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2K"	77.926316
"1107224"	700.318592	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2K+H"	78.933592
"1341419"	700.406207	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+DMSO+H"	79.021207
"1012137"	704.445376	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2ACN+H"	83.060376
"1528072"	705.439008	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+IsoProp+Na+H"	84.054008
"995618"	352.726326	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+2ACN+2H"	84.067652
"1589027"	706.353628	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+K+HCOOH"	84.968628
"1421249"	736.385138	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+H+CF3COOH"	115.000138
"1158098"	373.239601	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+3ACN+2H"	125.094202
"1702182"	753.411685	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+NH4+CF3COOH"	132.026685
"1638926"	758.36708	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+Na+CF3COOH"	136.98208
"1586606"	774.34102	"C15751"	"Spicamycin"	"C30H51N7O7"	"621.385"	"M+K+CF3COOH"	152.95602
"807133"	1213.7488	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M"	0
"975560"	1194.73041	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-H2O-H"	-19.01839
"65626"	808.158590666667	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M-3H"	-3.021828
"505187"	1212.741524	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M-3H"	-3.021828
"881163"	403.575657333333	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-3H"	-3.021828
"7034"	1212.741524	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M-2H"	-2.014552
"445501"	1819.615924	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M-2H"	-2.014552
"825490"	605.867124	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-2H"	-2.014552
"86575"	2426.490324	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M-H"	-1.007276
"526136"	3640.239124	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M-H"	-1.007276
"906127"	1212.741524	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-H"	-1.007276
"57222"	2443.516871	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M-2H+NH4"	16.019271
"495688"	3657.265671	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M-2H+NH4"	16.019271
"865840"	1229.768071	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-2H+NH4"	16.019271
"39210"	2448.472266	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M-2H+Na"	20.974666
"484242"	3662.221066	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M-2H+Na"	20.974666
"855483"	1234.723466	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-2H+Na"	20.974666
"1631576"	1234.723466	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Na-2H"	20.974666
"96441"	1230.729863	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M-H+Cl"	33.962126
"536729"	1837.604263	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M-H+Cl"	33.962126
"930245"	623.855463	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-H+Cl"	33.962126
"274269"	2462.467002	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+Cl"	34.969402
"667784"	3676.215802	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+Cl"	34.969402
"1281281"	1248.718202	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Cl"	34.969402
"26026"	2464.446206	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M-2H+K"	36.948606
"464493"	3678.195006	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M-2H+K"	36.948606
"839382"	1250.697406	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-2H+K"	36.948606
"1565789"	1250.697406	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+K-2H"	36.948606
"950756"	1258.746994	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-H+HCOOH"	44.998194
"369702"	2472.495801	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+HCOOH-H"	44.998201
"354677"	2486.511451	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+Hac-H"	59.013851
"1502416"	1272.762651	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Hac-H"	59.013851
"959058"	1280.728951	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-H+NaCOOH"	66.980151
"115220"	1248.718202	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+2Cl"	69.938804
"557333"	1855.592602	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+2Cl"	69.938804
"1028319"	641.843802	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2Cl"	69.938804
"1246802"	1292.667685	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Br"	78.918885
"1314718"	1294.723672	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Cl+HCOOH"	80.974872
"1325654"	1316.705629	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Cl+NaCOOH"	102.956829
"917802"	1326.734386	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M-H+CF3COOH"	112.985586
"1295605"	1362.711064	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Cl+CF3COOH"	148.962264
"1368663"	1178.736124	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H-2H2O"	-35.012676
"1384702"	1196.7461	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H-H2O"	-17.0027
"285847"	2428.504876	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+H"	1.007276
"687022"	3642.253676	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+H"	1.007276
"1364102"	1214.756076	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H"	1.007276
"141006"	1214.756076	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+2H"	2.014552
"574366"	1821.630476	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+2H"	2.014552
"1049362"	607.881676	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2H"	2.014552
"215805"	810.173142666667	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+3H"	3.021828
"656459"	1214.756076	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+3H"	3.021828
"1170939"	405.590209333333	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+3H"	3.021828
"433114"	2445.531423	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+NH4"	18.033823
"793018"	3659.280223	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+NH4"	18.033823
"1686069"	1231.782623	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+NH4"	18.033823
"338719"	1223.2693495	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+H+NH4"	19.041099
"735153"	1830.1437495	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+H+NH4"	19.041099
"1487152"	616.3949495	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H+NH4"	19.041099
"401459"	2450.486818	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+Na"	22.989218
"767925"	3664.235618	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+Na"	22.989218
"1611647"	1236.738018	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Na"	22.989218
"324601"	1225.747047	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+H+Na"	23.996494
"714106"	1832.621447	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+H+Na"	23.996494
"1472300"	618.872647	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H+Na"	23.996494
"1061172"	412.917523333333	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2H+Na"	25.00377
"1260661"	1246.782286	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+CH3OH+H"	33.033486
"387994"	2466.460758	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+K"	38.963158
"751175"	3680.209558	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+K"	38.963158
"1552134"	1252.711958	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+K"	38.963158
"311498"	1233.734017	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+H+K"	39.970434
"702825"	1840.608417	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+H+K"	39.970434
"1459564"	626.859617	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H+K"	39.970434
"246343"	2469.531426	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+ACN+H"	42.033826
"1222332"	1255.782626	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+ACN+H"	42.033826
"1205121"	628.394951	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+ACN+2H"	43.041102
"203097"	2472.46876	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+2Na-H"	44.97116
"640832"	3686.21756	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+2Na-H"	44.97116
"1142156"	1258.71996	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2Na-H"	44.97116
"182165"	1236.738018	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+2Na"	45.978436
"620631"	1843.612418	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+2Na"	45.978436
"1123047"	629.863618	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2Na"	45.978436
"1403290"	420.244837333333	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H+2Na"	46.985712
"1435406"	1260.761546	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H+HCOOH"	47.012746
"229473"	1241.77104	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+3H2O+2H"	56.04448
"1516444"	1274.81359	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+IsoProp+H"	61.06479
"421238"	1244.724988	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+Na+K"	61.952376
"781871"	1851.599388	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+Na+K"	61.952376
"1673464"	637.850588	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Na+K"	61.952376
"261085"	2491.513368	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+ACN+Na"	64.015768
"1235979"	1277.764568	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+ACN+Na"	64.015768
"1723772"	1277.788093	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+NH4+HCOOH"	64.039293
"1189127"	427.572151333333	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+3Na"	68.967654
"1663392"	1282.743488	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Na+HCOOH"	68.994688
"169160"	2504.41664	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+2K-H"	76.91904
"612126"	3718.16544	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+2K-H"	76.91904
"1098215"	1290.66784	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2K-H"	76.91904
"154423"	1252.711958	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"2M+2K"	77.926316
"596420"	1859.586358	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"3M+2K"	77.926316
"1080683"	645.837558	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2K"	77.926316
"1107333"	1292.682392	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2K+H"	78.933592
"1341529"	1292.770007	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+DMSO+H"	79.021207
"1015528"	1296.809176	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2ACN+H"	83.060376
"1533653"	1297.802808	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+IsoProp+Na+H"	84.054008
"997913"	648.908226	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+2ACN+2H"	84.067652
"1590228"	1298.717428	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+K+HCOOH"	84.968628
"1426827"	1328.748938	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+H+CF3COOH"	115.000138
"1151647"	669.421501	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+3ACN+2H"	125.094202
"1698281"	1345.775485	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+NH4+CF3COOH"	132.026685
"1642317"	1350.73088	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+Na+CF3COOH"	136.98208
"1574688"	1366.70482	"C15752"	"Lienomycin"	"C67H107NO18"	"1213.7488"	"M+K+CF3COOH"	152.95602
"807243"	310.2144	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M"	0
"974820"	291.19601	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-H2O-H"	-19.01839
"66829"	205.802324	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M-3H"	-3.021828
"507484"	309.207124	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M-3H"	-3.021828
"880070"	102.397524	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-3H"	-3.021828
"7144"	309.207124	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M-2H"	-2.014552
"445611"	464.314324	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M-2H"	-2.014552
"824506"	154.099924	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-2H"	-2.014552
"86685"	619.421524	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M-H"	-1.007276
"528433"	929.635924	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M-H"	-1.007276
"906237"	309.207124	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-H"	-1.007276
"56239"	636.448071	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M-2H+NH4"	16.019271
"494705"	946.662471	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M-2H+NH4"	16.019271
"867043"	326.233671	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-2H+NH4"	16.019271
"37131"	641.403466	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M-2H+Na"	20.974666
"485080"	951.617866	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M-2H+Na"	20.974666
"858873"	331.189066	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-2H+Na"	20.974666
"1633145"	331.189066	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Na-2H"	20.974666
"96187"	327.195463	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M-H+Cl"	33.962126
"535867"	482.302663	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M-H+Cl"	33.962126
"930355"	172.088263	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-H+Cl"	33.962126
"271099"	655.398202	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+Cl"	34.969402
"664614"	965.612602	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+Cl"	34.969402
"1278111"	345.183802	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Cl"	34.969402
"22855"	657.377406	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M-2H+K"	36.948606
"464602"	967.591806	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M-2H+K"	36.948606
"839492"	347.163006	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-2H+K"	36.948606
"1566992"	347.163006	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+K-2H"	36.948606
"952688"	355.212594	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-H+HCOOH"	44.998194
"371998"	665.427001	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+HCOOH-H"	44.998201
"353693"	679.442651	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+Hac-H"	59.013851
"1499610"	369.228251	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Hac-H"	59.013851
"959615"	377.194551	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-H+NaCOOH"	66.980151
"112778"	345.183802	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+2Cl"	69.938804
"555618"	500.291002	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+2Cl"	69.938804
"1027334"	190.076602	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2Cl"	69.938804
"1245819"	389.133285	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Br"	78.918885
"1312642"	391.189272	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Cl+HCOOH"	80.974872
"1324671"	413.171229	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Cl+NaCOOH"	102.956829
"917912"	423.199986	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M-H+CF3COOH"	112.985586
"1294622"	459.176664	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Cl+CF3COOH"	148.962264
"1368410"	275.201724	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H-2H2O"	-35.012676
"1384448"	293.2117	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H-H2O"	-17.0027
"287780"	621.436076	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+H"	1.007276
"684216"	931.650476	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+H"	1.007276
"1361660"	311.221676	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H"	1.007276
"138561"	311.221676	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+2H"	2.014552
"572289"	466.328876	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+2H"	2.014552
"1044368"	156.114476	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2H"	2.014552
"214454"	207.816876	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+3H"	3.021828
"656931"	311.221676	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+3H"	3.021828
"1171047"	104.412076	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+3H"	3.021828
"433224"	638.462623	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+NH4"	18.033823
"792035"	948.677023	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+NH4"	18.033823
"1689458"	328.248223	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+NH4"	18.033823
"341015"	319.7349495	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+H+NH4"	19.041099
"734531"	474.8421495	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+H+NH4"	19.041099
"1489082"	164.6277495	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H+NH4"	19.041099
"401570"	643.418018	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+Na"	22.989218
"769127"	953.632418	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+Na"	22.989218
"1610664"	333.203618	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Na"	22.989218
"320702"	322.212647	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+H+Na"	23.996494
"714216"	477.319847	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+H+Na"	23.996494
"1474597"	167.105447	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H+Na"	23.996494
"1060189"	111.73939	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2H+Na"	25.00377
"1261864"	343.247886	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+CH3OH+H"	33.033486
"390291"	659.391958	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+K"	38.963158
"748005"	969.606358	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+K"	38.963158
"1552974"	349.177558	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+K"	38.963158
"310515"	330.199617	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+H+K"	39.970434
"699655"	485.306817	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+H+K"	39.970434
"1458581"	175.092417	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H+K"	39.970434
"244267"	662.462626	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+ACN+H"	42.033826
"1220255"	352.248226	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+ACN+H"	42.033826
"1204138"	176.627751	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+ACN+2H"	43.041102
"202114"	665.39996	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+2Na-H"	44.97116
"637299"	975.61436	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+2Na-H"	44.97116
"1143359"	355.18556	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2Na-H"	44.97116
"183369"	333.203618	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+2Na"	45.978436
"619648"	488.310818	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+2Na"	45.978436
"1124250"	178.096418	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2Na"	45.978436
"1405586"	119.066704	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H+2Na"	46.985712
"1436609"	357.227146	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H+HCOOH"	47.012746
"229219"	338.23664	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+3H2O+2H"	56.04448
"1516554"	371.27919	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+IsoProp+H"	61.06479
"422443"	341.190588	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+Na+K"	61.952376
"783439"	496.297788	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+Na+K"	61.952376
"1679650"	186.083388	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Na+K"	61.952376
"262287"	684.444568	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+ACN+Na"	64.015768
"1237182"	374.230168	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+ACN+Na"	64.015768
"1723882"	374.253693	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+NH4+HCOOH"	64.039293
"1189236"	126.394018	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+3Na"	68.967654
"1661315"	379.209088	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Na+HCOOH"	68.994688
"167083"	697.34784	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+2K-H"	76.91904
"612356"	1007.56224	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+2K-H"	76.91904
"1099419"	387.13344	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2K-H"	76.91904
"151252"	349.177558	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"2M+2K"	77.926316
"591907"	504.284758	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"3M+2K"	77.926316
"1075325"	194.070358	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2K"	77.926316
"1109629"	389.147992	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2K+H"	78.933592
"1346013"	389.235607	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+DMSO+H"	79.021207
"1013451"	393.274776	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2ACN+H"	83.060376
"1533761"	394.268408	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+IsoProp+Na+H"	84.054008
"996929"	197.141026	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+2ACN+2H"	84.067652
"1591431"	395.183028	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+K+HCOOH"	84.968628
"1428030"	425.214538	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+H+CF3COOH"	115.000138
"1152851"	217.654301	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+3ACN+2H"	125.094202
"1702402"	442.241085	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+NH4+CF3COOH"	132.026685
"1642427"	447.19648	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+Na+CF3COOH"	136.98208
"1574797"	463.17042	"C15753"	"Dihydroalbocycline"	"C18H30O4"	"310.2144"	"M+K+CF3COOH"	152.95602
"814644"	621.385	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M"	0
"974364"	602.36661	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-H2O-H"	-19.01839
"75687"	413.249390666667	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M-3H"	-3.021828
"510874"	620.377724	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M-3H"	-3.021828
"883209"	206.121057333333	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-3H"	-3.021828
"7254"	620.377724	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M-2H"	-2.014552
"447908"	931.070224	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M-2H"	-2.014552
"826803"	309.685224	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-2H"	-2.014552
"86795"	1241.762724	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M-H"	-1.007276
"529637"	1863.147724	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M-H"	-1.007276
"901973"	620.377724	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-H"	-1.007276
"55257"	1258.789271	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M-2H+NH4"	16.019271
"495909"	1880.174271	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M-2H+NH4"	16.019271
"867153"	637.404271	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-2H+NH4"	16.019271
"36148"	1263.744666	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M-2H+Na"	20.974666
"486897"	1885.129666	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M-2H+Na"	20.974666
"858984"	642.359666	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-2H+Na"	20.974666
"1629610"	642.359666	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Na-2H"	20.974666
"99577"	638.366063	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M-H+Cl"	33.962126
"535125"	949.058563	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M-H+Cl"	33.962126
"930465"	327.673563	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-H+Cl"	33.962126
"275584"	1277.739402	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+Cl"	34.969402
"665819"	1899.124402	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+Cl"	34.969402
"1278222"	656.354402	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Cl"	34.969402
"22967"	1279.718606	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M-2H+K"	36.948606
"464712"	1901.103606	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M-2H+K"	36.948606
"842518"	658.333606	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-2H+K"	36.948606
"1568925"	658.333606	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+K-2H"	36.948606
"949518"	666.383194	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-H+HCOOH"	44.998194
"372109"	1287.768201	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+HCOOH-H"	44.998201
"350523"	1301.783851	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+Hac-H"	59.013851
"1499357"	680.398851	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Hac-H"	59.013851
"964712"	688.365151	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-H+NaCOOH"	66.980151
"116900"	656.354402	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+2Cl"	69.938804
"554635"	967.046902	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+2Cl"	69.938804
"1025987"	345.661902	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2Cl"	69.938804
"1245931"	700.303885	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Br"	78.918885
"1309471"	702.359872	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Cl+HCOOH"	80.974872
"1325875"	724.341829	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Cl+NaCOOH"	102.956829
"923489"	734.370586	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M-H+CF3COOH"	112.985586
"1302021"	770.347264	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Cl+CF3COOH"	148.962264
"1368518"	586.372324	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H-2H2O"	-35.012676
"1392578"	604.3823	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H-H2O"	-17.0027
"291170"	1243.777276	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+H"	1.007276
"683234"	1865.162276	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+H"	1.007276
"1365052"	622.392276	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H"	1.007276
"138671"	622.392276	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+2H"	2.014552
"569119"	933.084776	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+2H"	2.014552
"1044479"	311.699776	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2H"	2.014552
"215660"	415.263942666667	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+3H"	3.021828
"655586"	622.392276	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+3H"	3.021828
"1171158"	208.135609333333	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+3H"	3.021828
"433334"	1260.803823	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+NH4"	18.033823
"793238"	1882.188823	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+NH4"	18.033823
"1691757"	639.418823	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+NH4"	18.033823
"338939"	630.9055495	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+H+NH4"	19.041099
"734642"	941.5980495	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+H+NH4"	19.041099
"1486278"	320.2130495	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H+NH4"	19.041099
"401680"	1265.759218	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+Na"	22.989218
"765957"	1887.144218	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+Na"	22.989218
"1610774"	644.374218	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Na"	22.989218
"324093"	633.383247	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+H+Na"	23.996494
"718337"	944.075747	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+H+Na"	23.996494
"1470333"	322.690747	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H+Na"	23.996494
"1064304"	215.462923333333	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2H+Na"	25.00377
"1259788"	654.418486	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+CH3OH+H"	33.033486
"389307"	1281.733158	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+K"	38.963158
"749209"	1903.118158	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+K"	38.963158
"1549072"	660.348158	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+K"	38.963158
"305155"	641.370217	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+H+K"	39.970434
"696484"	952.062717	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+H+K"	39.970434
"1451397"	330.677717	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H+K"	39.970434
"245466"	1284.803826	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+ACN+H"	42.033826
"1223521"	663.418826	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+ACN+H"	42.033826
"1204248"	332.213051	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+ACN+2H"	43.041102
"200402"	1287.74116	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+2Na-H"	44.97116
"637774"	1909.12616	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+2Na-H"	44.97116
"1142375"	666.35616	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2Na-H"	44.97116
"178012"	644.374218	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+2Na"	45.978436
"618665"	955.066718	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+2Na"	45.978436
"1127641"	333.681718	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2Na"	45.978436
"1406790"	222.790237333333	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H+2Na"	46.985712
"1436719"	668.397746	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H+HCOOH"	47.012746
"232978"	649.40724	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+3H2O+2H"	56.04448
"1521039"	682.44979	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+IsoProp+H"	61.06479
"417444"	652.361188	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+Na+K"	61.952376
"779533"	963.053688	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+Na+K"	61.952376
"1677692"	341.668688	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Na+K"	61.952376
"265675"	1306.785768	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+ACN+Na"	64.015768
"1238387"	685.400768	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+ACN+Na"	64.015768
"1728001"	685.424293	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+NH4+HCOOH"	64.039293
"1192626"	230.117551333333	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+3Na"	68.967654
"1661426"	690.379688	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Na+HCOOH"	68.994688
"167193"	1319.68904	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+2K-H"	76.91904
"611127"	1941.07404	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+2K-H"	76.91904
"1099290"	698.30404	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2K-H"	76.91904
"156916"	660.348158	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"2M+2K"	77.926316
"595179"	971.040658	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"3M+2K"	77.926316
"1081998"	349.655658	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2K"	77.926316
"1107554"	700.318592	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2K+H"	78.933592
"1346125"	700.406207	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+DMSO+H"	79.021207
"1014656"	704.445376	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2ACN+H"	83.060376
"1533873"	705.439008	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+IsoProp+Na+H"	84.054008
"998135"	352.726326	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+2ACN+2H"	84.067652
"1595916"	706.353628	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+K+HCOOH"	84.968628
"1425954"	736.385138	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+H+CF3COOH"	115.000138
"1151867"	373.239601	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+3ACN+2H"	125.094202
"1705793"	753.411685	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+NH4+CF3COOH"	132.026685
"1646911"	758.36708	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+Na+CF3COOH"	136.98208
"1572720"	774.34102	"C15754"	"Septacidin"	"C30H51N7O7"	"621.385"	"M+K+CF3COOH"	152.95602
"807463"	527.3458	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M"	0
"976622"	508.32741	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-H2O-H"	-19.01839
"65956"	350.556590666667	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M-3H"	-3.021828
"503411"	526.338524	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M-3H"	-3.021828
"881133"	174.774657333333	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-3H"	-3.021828
"2991"	526.338524	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M-2H"	-2.014552
"444738"	790.011424	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M-2H"	-2.014552
"826914"	262.665624	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-2H"	-2.014552
"83624"	1053.684324	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M-H"	-1.007276
"523186"	1581.030124	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M-H"	-1.007276
"897709"	526.338524	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-H"	-1.007276
"48805"	1070.710871	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M-2H+NH4"	16.019271
"490552"	1598.056671	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M-2H+NH4"	16.019271
"864417"	543.365071	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-2H+NH4"	16.019271
"34071"	1075.666266	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M-2H+Na"	20.974666
"485304"	1603.012066	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M-2H+Na"	20.974666
"856907"	548.320466	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-2H+Na"	20.974666
"1620974"	548.320466	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Na-2H"	20.974666
"96407"	544.326863	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M-H+Cl"	33.962126
"534271"	807.999763	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M-H+Cl"	33.962126
"931669"	280.653963	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-H+Cl"	33.962126
"269132"	1089.661002	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+Cl"	34.969402
"659981"	1617.006802	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+Cl"	34.969402
"1272966"	562.315202	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Cl"	34.969402
"16515"	1091.640206	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M-2H+K"	36.948606
"459356"	1618.986006	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M-2H+K"	36.948606
"838255"	564.294406	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-2H+K"	36.948606
"1568306"	564.294406	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+K-2H"	36.948606
"949628"	572.343994	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-H+HCOOH"	44.998194
"372219"	1099.689801	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+HCOOH-H"	44.998201
"350634"	1113.705451	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+Hac-H"	59.013851
"1499467"	586.359651	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Hac-H"	59.013851
"964822"	594.325951	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-H+NaCOOH"	66.980151
"115917"	562.315202	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+2Cl"	69.938804
"554381"	825.988102	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+2Cl"	69.938804
"1025005"	298.642302	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2Cl"	69.938804
"1245675"	606.264685	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Br"	78.918885
"1309581"	608.320672	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Cl+HCOOH"	80.974872
"1327078"	630.302629	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Cl+NaCOOH"	102.956829
"921413"	640.331386	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M-H+CF3COOH"	112.985586
"1290468"	676.308064	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Cl+CF3COOH"	148.962264
"1368631"	492.333124	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H-2H2O"	-35.012676
"1391595"	510.3431	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H-H2O"	-17.0027
"288001"	1055.698876	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+H"	1.007276
"685165"	1583.044676	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+H"	1.007276
"1364433"	528.353076	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H"	1.007276
"138781"	528.353076	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+2H"	2.014552
"568136"	792.025976	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+2H"	2.014552
"1043496"	264.680176	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2H"	2.014552
"213948"	352.571142666667	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+3H"	3.021828
"655696"	528.353076	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+3H"	3.021828
"1171268"	176.789209333333	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+3H"	3.021828
"433445"	1072.725423	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+NH4"	18.033823
"794443"	1600.071223	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+NH4"	18.033823
"1690409"	545.379623	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+NH4"	18.033823
"338685"	536.8663495	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+H+NH4"	19.041099
"734752"	800.5392495	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+H+NH4"	19.041099
"1487481"	273.1934495	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H+NH4"	19.041099
"401790"	1077.680818	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+Na"	22.989218
"766067"	1605.026618	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+Na"	22.989218
"1610884"	550.335018	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Na"	22.989218
"325295"	539.344047	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+H+Na"	23.996494
"716623"	803.016947	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+H+Na"	23.996494
"1471536"	275.671147	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H+Na"	23.996494
"1064414"	184.116523333333	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2H+Na"	25.00377
"1259898"	560.379286	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+CH3OH+H"	33.033486
"387230"	1093.654758	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+K"	38.963158
"746039"	1621.000558	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+K"	38.963158
"1545902"	566.308958	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+K"	38.963158
"305264"	547.331017	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+H+K"	39.970434
"696593"	811.003917	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+H+K"	39.970434
"1451506"	283.658117	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H+K"	39.970434
"242296"	1096.725426	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+ACN+H"	42.033826
"1218286"	569.379626	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+ACN+H"	42.033826
"1201076"	285.193451	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+ACN+2H"	43.041102
"193950"	1099.66276	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+2Na-H"	44.97116
"634603"	1627.00856	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+2Na-H"	44.97116
"1141392"	572.31696	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2Na-H"	44.97116
"178122"	550.335018	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+2Na"	45.978436
"618775"	814.007918	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+2Na"	45.978436
"1120095"	286.662118	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2Na"	45.978436
"1404713"	191.443837333333	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H+2Na"	46.985712
"1431483"	574.358546	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H+HCOOH"	47.012746
"228710"	555.36804	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+3H2O+2H"	56.04448
"1514585"	588.41059	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+IsoProp+H"	61.06479
"414273"	558.321988	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+Na+K"	61.952376
"774175"	821.994888	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+Na+K"	61.952376
"1677802"	294.649088	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Na+K"	61.952376
"265785"	1118.707368	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+ACN+Na"	64.015768
"1237401"	591.361568	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+ACN+Na"	64.015768
"1719727"	591.385093	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+NH4+HCOOH"	64.039293
"1188361"	198.771151333333	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+3Na"	68.967654
"1663721"	596.340488	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Na+HCOOH"	68.994688
"170584"	1131.61064	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+2K-H"	76.91904
"611606"	1658.95644	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+2K-H"	76.91904
"1097936"	604.26484	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2K-H"	76.91904
"152565"	566.308958	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"2M+2K"	77.926316
"593220"	829.981858	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"3M+2K"	77.926316
"1079920"	302.636058	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2K"	77.926316
"1107664"	606.279392	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2K+H"	78.933592
"1347329"	606.367007	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+DMSO+H"	79.021207
"1015859"	610.406176	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2ACN+H"	83.060376
"1533983"	611.399808	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+IsoProp+Na+H"	84.054008
"996058"	305.706726	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+2ACN+2H"	84.067652
"1592746"	612.314428	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+K+HCOOH"	84.968628
"1420593"	642.345938	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+H+CF3COOH"	115.000138
"1151976"	326.220001	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+3ACN+2H"	125.094202
"1697120"	659.372485	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+NH4+CF3COOH"	132.026685
"1634620"	664.32788	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+Na+CF3COOH"	136.98208
"1571408"	680.30182	"C15755"	"Dihydropicromycin"	"C28H49NO8"	"527.3458"	"M+K+CF3COOH"	152.95602
"814134"	623.4397	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M"	0
"982199"	604.42131	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-H2O-H"	-19.01839
"66066"	414.619190666667	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M-3H"	-3.021828
"505628"	622.432424	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M-3H"	-3.021828
"882337"	206.805957333333	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-3H"	-3.021828
"2371"	622.432424	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M-2H"	-2.014552
"448128"	934.152274	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M-2H"	-2.014552
"825930"	310.712574	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-2H"	-2.014552
"81548"	1245.872124	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M-H"	-1.007276
"522203"	1869.311824	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M-H"	-1.007276
"897814"	622.432424	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-H"	-1.007276
"47816"	1262.898671	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M-2H+NH4"	16.019271
"488474"	1886.338371	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M-2H+NH4"	16.019271
"866632"	639.458971	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-2H+NH4"	16.019271
"32354"	1267.854066	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M-2H+Na"	20.974666
"478118"	1891.293766	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M-2H+Na"	20.974666
"859204"	644.414366	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-2H+Na"	20.974666
"1624364"	644.414366	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Na-2H"	20.974666
"96517"	640.420763	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M-H+Cl"	33.962126
"534614"	952.140613	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M-H+Cl"	33.962126
"930686"	328.700913	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-H+Cl"	33.962126
"269242"	1281.848802	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+Cl"	34.969402
"660080"	1905.288502	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+Cl"	34.969402
"1272941"	658.409102	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Cl"	34.969402
"15803"	1283.828006	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M-2H+K"	36.948606
"459829"	1907.267706	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M-2H+K"	36.948606
"836542"	660.388306	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-2H+K"	36.948606
"1568416"	660.388306	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+K-2H"	36.948606
"950832"	668.437894	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-H+HCOOH"	44.998194
"371236"	1291.877601	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+HCOOH-H"	44.998201
"354024"	1305.893251	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+Hac-H"	59.013851
"1498484"	682.453551	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Hac-H"	59.013851
"968212"	690.419851	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-H+NaCOOH"	66.980151
"116027"	658.409102	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+2Cl"	69.938804
"555949"	970.128952	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+2Cl"	69.938804
"1025844"	346.689252	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2Cl"	69.938804
"1247607"	702.358585	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Br"	78.918885
"1308962"	704.414572	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Cl+HCOOH"	80.974872
"1329375"	726.396529	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Cl+NaCOOH"	102.956829
"921523"	736.425286	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M-H+CF3COOH"	112.985586
"1290577"	772.401964	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Cl+CF3COOH"	148.962264
"1369469"	588.427024	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H-2H2O"	-35.012676
"1391705"	606.437	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H-H2O"	-17.0027
"286289"	1247.886676	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+H"	1.007276
"685639"	1871.326376	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+H"	1.007276
"1363449"	624.446976	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H"	1.007276
"138162"	624.446976	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+2H"	2.014552
"568246"	936.166826	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+2H"	2.014552
"1045793"	312.727126	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2H"	2.014552
"214786"	416.633742666667	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+3H"	3.021828
"656534"	624.446976	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+3H"	3.021828
"1171378"	208.820509333333	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+3H"	3.021828
"432462"	1264.913223	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+NH4"	18.033823
"793460"	1888.352923	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+NH4"	18.033823
"1691977"	641.473523	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+NH4"	18.033823
"338066"	632.9602495	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+H+NH4"	19.041099
"734861"	944.6800995	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+H+NH4"	19.041099
"1487591"	321.2403995	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H+NH4"	19.041099
"401900"	1269.868618	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+Na"	22.989218
"769216"	1893.308318	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+Na"	22.989218
"1614275"	646.428918	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Na"	22.989218
"328322"	635.437947	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+H+Na"	23.996494
"717826"	947.157797	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+H+Na"	23.996494
"1473832"	323.718097	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H+Na"	23.996494
"1065618"	216.147823333333	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2H+Na"	25.00377
"1264381"	656.473186	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+CH3OH+H"	33.033486
"389526"	1285.842558	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+K"	38.963158
"747242"	1909.282258	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+K"	38.963158
"1548199"	662.402858	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+K"	38.963158
"304281"	643.424917	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+H+K"	39.970434
"696703"	955.144767	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+H+K"	39.970434
"1450523"	331.705067	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H+K"	39.970434
"241312"	1288.913226	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+ACN+H"	42.033826
"1219487"	665.473526	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+ACN+H"	42.033826
"1202279"	333.240401	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+ACN+2H"	43.041102
"195153"	1291.85056	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+2Na-H"	44.97116
"634713"	1915.29026	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+2Na-H"	44.97116
"1142597"	668.41086	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2Na-H"	44.97116
"178232"	646.428918	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+2Na"	45.978436
"617792"	958.148768	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+2Na"	45.978436
"1118018"	334.709068	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2Na"	45.978436
"1402637"	223.475137333333	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H+2Na"	46.985712
"1434752"	670.452446	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H+HCOOH"	47.012746
"228820"	651.46194	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+3H2O+2H"	56.04448
"1514695"	684.50449	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+IsoProp+H"	61.06479
"411103"	654.415888	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+Na+K"	61.952376
"774285"	966.135738	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+Na+K"	61.952376
"1678276"	342.696038	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Na+K"	61.952376
"266504"	1310.895168	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+ACN+Na"	64.015768
"1238604"	687.455468	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+ACN+Na"	64.015768
"1727126"	687.478993	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+NH4+HCOOH"	64.039293
"1190658"	230.802451333333	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+3Na"	68.967654
"1663831"	692.434388	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Na+HCOOH"	68.994688
"169966"	1323.79844	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+2K-H"	76.91904
"605880"	1947.23814	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+2K-H"	76.91904
"1095859"	700.35874	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2K-H"	76.91904
"155955"	662.402858	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"2M+2K"	77.926316
"591142"	974.122708	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"3M+2K"	77.926316
"1081123"	350.683008	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2K"	77.926316
"1111054"	702.373292	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2K+H"	78.933592
"1347439"	702.460907	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+DMSO+H"	79.021207
"1018884"	706.500076	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2ACN+H"	83.060376
"1532999"	707.493708	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+IsoProp+Na+H"	84.054008
"999447"	353.753676	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+2ACN+2H"	84.067652
"1592856"	708.408328	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+K+HCOOH"	84.968628
"1417423"	738.439838	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+H+CF3COOH"	115.000138
"1148927"	374.266951	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+3ACN+2H"	125.094202
"1697623"	755.466385	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+NH4+CF3COOH"	132.026685
"1634452"	760.42178	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+Na+CF3COOH"	136.98208
"1571518"	776.39572	"C15756"	"Antibiotic TA"	"C35H61NO8"	"623.4397"	"M+K+CF3COOH"	152.95602
"807683"	653.4251	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M"	0
"976843"	634.40671	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-H2O-H"	-19.01839
"70551"	434.609457333333	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M-3H"	-3.021828
"514486"	652.417824	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M-3H"	-3.021828
"885728"	216.801090666667	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-3H"	-3.021828
"4304"	652.417824	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M-2H"	-2.014552
"448239"	979.130374	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M-2H"	-2.014552
"826041"	325.705274	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-2H"	-2.014552
"86035"	1305.842924	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M-H"	-1.007276
"526688"	1959.268024	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M-H"	-1.007276
"904490"	652.417824	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-H"	-1.007276
"47806"	1322.869471	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M-2H+NH4"	16.019271
"488216"	1976.294571	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M-2H+NH4"	16.019271
"867108"	669.444371	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-2H+NH4"	16.019271
"32705"	1327.824866	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M-2H+Na"	20.974666
"476040"	1981.249966	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M-2H+Na"	20.974666
"861135"	674.399766	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-2H+Na"	20.974666
"1627754"	674.399766	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Na-2H"	20.974666
"94924"	670.406163	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M-H+Cl"	33.962126
"537280"	997.118713	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M-H+Cl"	33.962126
"930796"	343.693613	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-H+Cl"	33.962126
"269352"	1341.819602	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+Cl"	34.969402
"661410"	1995.244702	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+Cl"	34.969402
"1273935"	688.394502	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Cl"	34.969402
"16731"	1343.798806	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M-2H+K"	36.948606
"459575"	1997.223906	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M-2H+K"	36.948606
"836652"	690.373706	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-2H+K"	36.948606
"1566340"	690.373706	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+K-2H"	36.948606
"947662"	698.423294	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-H+HCOOH"	44.998194
"365879"	1351.848401	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+HCOOH-H"	44.998201
"350853"	1365.864051	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+Hac-H"	59.013851
"1496407"	712.438951	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Hac-H"	59.013851
"961760"	720.405251	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-H+NaCOOH"	66.980151
"113948"	688.394502	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+2Cl"	69.938804
"556059"	1015.107052	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+2Cl"	69.938804
"1022789"	361.681952	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2Cl"	69.938804
"1242611"	732.343985	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Br"	78.918885
"1308342"	734.399972	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Cl+HCOOH"	80.974872
"1322560"	756.381929	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Cl+NaCOOH"	102.956829
"918355"	766.410686	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M-H+CF3COOH"	112.985586
"1293969"	802.387364	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Cl+CF3COOH"	148.962264
"1371036"	618.412424	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H-2H2O"	-35.012676
"1388535"	636.4224	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H-H2O"	-17.0027
"286035"	1307.857476	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+H"	1.007276
"679547"	1961.282576	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+H"	1.007276
"1364288"	654.432376	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H"	1.007276
"139367"	654.432376	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+2H"	2.014552
"573824"	981.144926	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+2H"	2.014552
"1045904"	327.719826	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2H"	2.014552
"214897"	436.624009333333	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+3H"	3.021828
"656280"	654.432376	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+3H"	3.021828
"1173675"	218.815642666667	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+3H"	3.021828
"435853"	1324.884023	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+NH4"	18.033823
"794663"	1978.309123	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+NH4"	18.033823
"1688808"	671.458923	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+NH4"	18.033823
"342916"	662.9456495	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+H+NH4"	19.041099
"736431"	989.6581995	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+H+NH4"	19.041099
"1488794"	336.2330995	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H+NH4"	19.041099
"403830"	1329.839418	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+Na"	22.989218
"768475"	1983.264518	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+Na"	22.989218
"1617912"	676.414318	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Na"	22.989218
"326608"	665.423347	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+H+Na"	23.996494
"720122"	992.135897	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+H+Na"	23.996494
"1473942"	338.710797	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H+Na"	23.996494
"1067917"	226.142956666667	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2H+Na"	25.00377
"1263398"	686.458586	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+CH3OH+H"	33.033486
"389636"	1345.813358	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+K"	38.963158
"746259"	1999.238458	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+K"	38.963158
"1547216"	692.388258	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+K"	38.963158
"303298"	673.410317	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+H+K"	39.970434
"699000"	1000.122867	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+H+K"	39.970434
"1453913"	346.697767	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H+K"	39.970434
"244702"	1348.884026	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+ACN+H"	42.033826
"1222877"	695.458926	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+ACN+H"	42.033826
"1205669"	348.233101	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+ACN+2H"	43.041102
"195263"	1351.82136	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+2Na-H"	44.97116
"635917"	2005.24646	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+2Na-H"	44.97116
"1140520"	698.39626	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2Na-H"	44.97116
"178343"	676.414318	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+2Na"	45.978436
"618994"	1003.126868	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+2Na"	45.978436
"1119221"	349.701768	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2Na"	45.978436
"1399829"	233.470270666667	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H+2Na"	46.985712
"1430605"	700.437846	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H+HCOOH"	47.012746
"223463"	681.44734	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+3H2O+2H"	56.04448
"1511523"	714.48989	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+IsoProp+H"	61.06479
"409141"	684.401288	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+Na+K"	61.952376
"771236"	1011.113838	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+Na+K"	61.952376
"1679117"	357.688738	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Na+K"	61.952376
"264911"	1370.865968	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+ACN+Na"	64.015768
"1240779"	717.440868	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+ACN+Na"	64.015768
"1726507"	717.464393	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+NH4+HCOOH"	64.039293
"1189675"	240.797584666667	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+3Na"	68.967654
"1662848"	722.419788	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Na+HCOOH"	68.994688
"165336"	1383.76924	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+2K-H"	76.91904
"610000"	2037.19434	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+2K-H"	76.91904
"1097066"	730.34414	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2K-H"	76.91904
"153879"	692.388258	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"2M+2K"	77.926316
"592346"	1019.100808	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"3M+2K"	77.926316
"1081963"	365.675708	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2K"	77.926316
"1112257"	732.358692	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2K+H"	78.933592
"1347548"	732.446307	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+DMSO+H"	79.021207
"1017173"	736.485476	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2ACN+H"	83.060376
"1536389"	737.479108	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+IsoProp+Na+H"	84.054008
"1000651"	368.746376	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+2ACN+2H"	84.067652
"1589686"	738.393728	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+K+HCOOH"	84.968628
"1420812"	768.425238	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+H+CF3COOH"	115.000138
"1148916"	389.259651	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+3ACN+2H"	125.094202
"1697015"	785.451785	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+NH4+CF3COOH"	132.026685
"1634604"	790.40718	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+Na+CF3COOH"	136.98208
"1571427"	806.38112	"C15757"	"Enniatin B4;Enniatin D"	"C34H59N3O9"	"653.4251"	"M+K+CF3COOH"	152.95602
"805606"	459.2257	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M"	0
"976953"	440.20731	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-H2O-H"	-19.01839
"72848"	305.143190666667	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M-3H"	-3.021828
"514596"	458.218424	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M-3H"	-3.021828
"884745"	152.067957333333	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-3H"	-3.021828
"8787"	458.218424	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M-2H"	-2.014552
"448350"	687.831274	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M-2H"	-2.014552
"828337"	228.605574	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-2H"	-2.014552
"88332"	917.444124	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M-H"	-1.007276
"526798"	1376.669824	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M-H"	-1.007276
"904600"	458.218424	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-H"	-1.007276
"49498"	934.470671	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M-2H+NH4"	16.019271
"489180"	1393.696371	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M-2H+NH4"	16.019271
"866859"	475.244971	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-2H+NH4"	16.019271
"34759"	939.426066	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M-2H+Na"	20.974666
"476150"	1398.651766	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M-2H+Na"	20.974666
"860516"	480.200366	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-2H+Na"	20.974666
"1626771"	480.200366	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Na-2H"	20.974666
"95156"	476.206763	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M-H+Cl"	33.962126
"537390"	705.819613	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M-H+Cl"	33.962126
"930906"	246.593913	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-H+Cl"	33.962126
"268854"	953.420802	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+Cl"	34.969402
"660544"	1412.646502	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+Cl"	34.969402
"1273674"	494.195102	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Cl"	34.969402
"16841"	955.400006	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M-2H+K"	36.948606
"462965"	1414.625706	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M-2H+K"	36.948606
"837854"	496.174306	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-2H+K"	36.948606
"1560613"	496.174306	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+K-2H"	36.948606
"947404"	504.223894	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-H+HCOOH"	44.998194
"364160"	963.449601	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+HCOOH-H"	44.998201
"348409"	977.465251	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+Hac-H"	59.013851
"1495421"	518.239551	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Hac-H"	59.013851
"960778"	526.205851	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-H+NaCOOH"	66.980151
"110651"	494.195102	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+2Cl"	69.938804
"552523"	723.807952	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+2Cl"	69.938804
"1023507"	264.582252	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2Cl"	69.938804
"1244183"	538.144585	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Br"	78.918885
"1309182"	540.200572	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Cl+HCOOH"	80.974872
"1324857"	562.182529	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Cl+NaCOOH"	102.956829
"913727"	572.211286	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M-H+CF3COOH"	112.985586
"1296267"	608.187964	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Cl+CF3COOH"	148.962264
"1372970"	424.213024	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H-2H2O"	-35.012676
"1394478"	442.223	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H-H2O"	-17.0027
"289426"	919.458676	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+H"	1.007276
"680753"	1378.684376	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+H"	1.007276
"1364394"	460.232976	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H"	1.007276
"139843"	460.232976	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+2H"	2.014552
"576120"	689.845826	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+2H"	2.014552
"1048202"	230.620126	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2H"	2.014552
"215737"	307.157742666667	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+3H"	3.021828
"658216"	460.232976	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+3H"	3.021828
"1176704"	154.082509333333	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+3H"	3.021828
"437424"	936.485223	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+NH4"	18.033823
"798054"	1395.710923	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+NH4"	18.033823
"1692198"	477.259523	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+NH4"	18.033823
"343391"	468.7462495	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+H+NH4"	19.041099
"736905"	698.3590995	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+H+NH4"	19.041099
"1488542"	239.1333995	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H+NH4"	19.041099
"403940"	941.440618	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+Na"	22.989218
"767492"	1400.666318	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+Na"	22.989218
"1614500"	482.214918	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Na"	22.989218
"329396"	471.223947	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+H+Na"	23.996494
"722306"	700.836797	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+H+Na"	23.996494
"1476892"	241.611097	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H+Na"	23.996494
"1068469"	161.409823333333	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2H+Na"	25.00377
"1264603"	492.259186	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+CH3OH+H"	33.033486
"385370"	957.414558	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+K"	38.963158
"746367"	1416.640258	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+K"	38.963158
"1545139"	498.188858	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+K"	38.963158
"303408"	479.210917	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+H+K"	39.970434
"702390"	708.823767	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+H+K"	39.970434
"1458397"	249.598067	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H+K"	39.970434
"249915"	960.485226	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+ACN+H"	42.033826
"1225096"	501.259526	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+ACN+H"	42.033826
"1208331"	251.133401	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+ACN+2H"	43.041102
"196468"	963.42256	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+2Na-H"	44.97116
"639308"	1422.64826	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+2Na-H"	44.97116
"1141723"	504.19686	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2Na-H"	44.97116
"182826"	482.214918	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+2Na"	45.978436
"625665"	711.827768	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+2Na"	45.978436
"1125891"	252.602068	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2Na"	45.978436
"1406134"	168.737137333333	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H+2Na"	46.985712
"1436063"	506.238446	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H+HCOOH"	47.012746
"227946"	487.24794	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+3H2O+2H"	56.04448
"1516007"	520.29049	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+IsoProp+H"	61.06479
"412414"	490.201888	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+Na+K"	61.952376
"774505"	719.814738	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+Na+K"	61.952376
"1678496"	260.589038	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Na+K"	61.952376
"260648"	982.467168	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+ACN+Na"	64.015768
"1233356"	523.241468	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+ACN+Na"	64.015768
"1722243"	523.264993	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+NH4+HCOOH"	64.039293
"1188691"	176.064451333333	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+3Na"	68.967654
"1662958"	528.220388	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Na+HCOOH"	68.994688
"165446"	995.37044	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+2K-H"	76.91904
"603914"	1454.59614	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+2K-H"	76.91904
"1096080"	536.14474	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2K-H"	76.91904
"148522"	498.188858	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"2M+2K"	77.926316
"589176"	727.801708	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"3M+2K"	77.926316
"1080250"	268.576008	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2K"	77.926316
"1110181"	538.159292	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2K+H"	78.933592
"1346564"	538.246907	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+DMSO+H"	79.021207
"1017282"	542.286076	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2ACN+H"	83.060376
"1535406"	543.279708	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+IsoProp+Na+H"	84.054008
"1000398"	271.646676	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+2ACN+2H"	84.067652
"1599275"	544.194328	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+K+HCOOH"	84.968628
"1423111"	574.225838	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+H+CF3COOH"	115.000138
"1147930"	292.159951	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+3ACN+2H"	125.094202
"1697090"	591.252385	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+NH4+CF3COOH"	132.026685
"1634262"	596.20778	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+Na+CF3COOH"	136.98208
"1572424"	612.18172	"C15758"	"Lankacidin C"	"C25H33NO7"	"459.2257"	"M+K+CF3COOH"	152.95602
"812282"	746.3415	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M"	0
"975849"	727.32311	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-H2O-H"	-19.01839
"68589"	496.553724	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M-3H"	-3.021828
"508148"	745.334224	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M-3H"	-3.021828
"885952"	247.773224	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-3H"	-3.021828
"6713"	745.334224	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M-2H"	-2.014552
"449553"	1118.504974	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M-2H"	-2.014552
"828447"	372.163474	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-2H"	-2.014552
"82977"	1491.675724	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M-H"	-1.007276
"521806"	2238.017224	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M-H"	-1.007276
"901433"	745.334224	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-H"	-1.007276
"50340"	1508.702271	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M-2H+NH4"	16.019271
"489899"	2255.043771	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M-2H+NH4"	16.019271
"865758"	762.360771	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-2H+NH4"	16.019271
"46714"	1513.657666	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M-2H+Na"	20.974666
"486717"	2259.999166	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M-2H+Na"	20.974666
"860994"	767.316166	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-2H+Na"	20.974666
"1630527"	767.316166	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Na-2H"	20.974666
"104503"	763.322563	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M-H+Cl"	33.962126
"542970"	1136.493313	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M-H+Cl"	33.962126
"933204"	390.151813	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-H+Cl"	33.962126
"270303"	1527.652402	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+Cl"	34.969402
"661629"	2273.993902	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+Cl"	34.969402
"1276587"	781.310902	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Cl"	34.969402
"22424"	1529.631606	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M-2H+K"	36.948606
"461984"	2275.973106	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M-2H+K"	36.948606
"843073"	783.290106	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-2H+K"	36.948606
"1566561"	783.290106	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+K-2H"	36.948606
"952260"	791.339694	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-H+HCOOH"	44.998194
"369379"	1537.681201	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+HCOOH-H"	44.998201
"351075"	1551.696851	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+Hac-H"	59.013851
"1495895"	805.355351	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Hac-H"	59.013851
"960885"	813.321651	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-H+NaCOOH"	66.980151
"112709"	781.310902	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+2Cl"	69.938804
"552997"	1154.481652	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+2Cl"	69.938804
"1023619"	408.140152	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2Cl"	69.938804
"1244289"	825.260385	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Br"	78.918885
"1308563"	827.316372	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Cl+HCOOH"	80.974872
"1323144"	849.298329	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Cl+NaCOOH"	102.956829
"913105"	859.327086	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M-H+CF3COOH"	112.985586
"1289818"	895.303764	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Cl+CF3COOH"	148.962264
"1371627"	711.328824	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H-2H2O"	-35.012676
"1386570"	729.3388	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H-H2O"	-17.0027
"295008"	1493.690276	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+H"	1.007276
"687428"	2240.031776	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+H"	1.007276
"1361592"	747.348776	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H"	1.007276
"141010"	747.348776	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+2H"	2.014552
"581192"	1120.519526	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+2H"	2.014552
"1048309"	374.178026	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2H"	2.014552
"211835"	498.568276	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+3H"	3.021828
"656868"	747.348776	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+3H"	3.021828
"1172806"	249.787776	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+3H"	3.021828
"437171"	1510.716823	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+NH4"	18.033823
"797073"	2257.058323	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+NH4"	18.033823
"1690124"	764.375323	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+NH4"	18.033823
"342776"	755.8620495	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+H+NH4"	19.041099
"736292"	1129.0327995	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+H+NH4"	19.041099
"1492301"	382.6912995	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H+NH4"	19.041099
"408315"	1515.672218	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+Na"	22.989218
"769719"	2262.013718	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+Na"	22.989218
"1615702"	769.330718	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Na"	22.989218
"329018"	758.339747	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+H+Na"	23.996494
"722169"	1131.510497	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+H+Na"	23.996494
"1476353"	385.168997	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H+Na"	23.996494
"1067289"	257.11509	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2H+Na"	25.00377
"1266900"	779.374986	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+CH3OH+H"	33.033486
"386574"	1531.646158	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+K"	38.963158
"746476"	2277.987658	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+K"	38.963158
"1547436"	785.304658	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+K"	38.963158
"303520"	766.326717	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+H+K"	39.970434
"703594"	1139.497467	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+H+K"	39.970434
"1455230"	393.155967	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H+K"	39.970434
"250393"	1534.716826	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+ACN+H"	42.033826
"1222741"	788.375326	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+ACN+H"	42.033826
"1206627"	394.691301	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+ACN+2H"	43.041102
"195488"	1537.65416	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+2Na-H"	44.97116
"639422"	2283.99566	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+2Na-H"	44.97116
"1142927"	791.31266	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2Na-H"	44.97116
"185124"	769.330718	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+2Na"	45.978436
"620307"	1142.501468	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+2Na"	45.978436
"1122719"	396.159968	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2Na"	45.978436
"1408430"	264.442404	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H+2Na"	46.985712
"1431561"	793.354246	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H+HCOOH"	47.012746
"221985"	774.36374	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+3H2O+2H"	56.04448
"1523419"	807.40629	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+IsoProp+H"	61.06479
"420185"	777.317688	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+Na+K"	61.952376
"784463"	1150.488438	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+Na+K"	61.952376
"1676423"	404.146938	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Na+K"	61.952376
"260759"	1556.698768	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+ACN+Na"	64.015768
"1235655"	810.357268	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+ACN+Na"	64.015768
"1723448"	810.380793	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+NH4+HCOOH"	64.039293
"1187709"	271.769718	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+3Na"	68.967654
"1663069"	815.336188	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Na+HCOOH"	68.994688
"166650"	1569.60204	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+2K-H"	76.91904
"604024"	2315.94354	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+2K-H"	76.91904
"1091817"	823.26054	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2K-H"	76.91904
"148634"	785.304658	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"2M+2K"	77.926316
"592568"	1158.475408	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"3M+2K"	77.926316
"1077082"	412.133908	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2K"	77.926316
"1105916"	825.275092	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2K+H"	78.933592
"1346674"	825.362707	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+DMSO+H"	79.021207
"1015204"	829.401876	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2ACN+H"	83.060376
"1533329"	830.395508	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+IsoProp+Na+H"	84.054008
"999778"	415.204576	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+2ACN+2H"	84.067652
"1597561"	831.310128	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+K+HCOOH"	84.968628
"1418849"	861.341638	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+H+CF3COOH"	115.000138
"1149136"	435.717851	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+3ACN+2H"	125.094202
"1699782"	878.368185	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+NH4+CF3COOH"	132.026685
"1634338"	883.32358	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+Na+CF3COOH"	136.98208
"1571807"	899.29752	"C15759"	"Hedamycin"	"C41H50N2O11"	"746.3415"	"M+K+CF3COOH"	152.95602
"808013"	503.3094	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M"	0
"984828"	484.29101	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-H2O-H"	-19.01839
"77078"	334.532324	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M-3H"	-3.021828
"511539"	502.302124	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M-3H"	-3.021828
"887155"	166.762524	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-3H"	-3.021828
"5729"	502.302124	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M-2H"	-2.014552
"449663"	753.956824	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M-2H"	-2.014552
"826371"	250.647424	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-2H"	-2.014552
"86367"	1005.611524	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M-H"	-1.007276
"522647"	1508.920924	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M-H"	-1.007276
"904824"	502.302124	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-H"	-1.007276
"55917"	1022.638071	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M-2H+NH4"	16.019271
"493292"	1525.947471	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M-2H+NH4"	16.019271
"868908"	519.328671	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-2H+NH4"	16.019271
"37905"	1027.593466	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M-2H+Na"	20.974666
"485852"	1530.902866	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M-2H+Na"	20.974666
"863860"	524.284066	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-2H+Na"	20.974666
"1631732"	524.284066	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Na-2H"	20.974666
"108624"	520.290463	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M-H+Cl"	33.962126
"545997"	771.945163	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M-H+Cl"	33.962126
"933314"	268.635763	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-H+Cl"	33.962126
"272966"	1041.588202	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+Cl"	34.969402
"661010"	1544.897602	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+Cl"	34.969402
"1281072"	538.278802	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Cl"	34.969402
"22534"	1043.567406	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M-2H+K"	36.948606
"463188"	1546.876806	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M-2H+K"	36.948606
"844275"	540.258006	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-2H+K"	36.948606
"1569224"	540.258006	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+K-2H"	36.948606
"952370"	548.307594	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-H+HCOOH"	44.998194
"369488"	1051.617001	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+HCOOH-H"	44.998201
"348997"	1065.632651	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+Hac-H"	59.013851
"1494913"	562.323251	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Hac-H"	59.013851
"960995"	570.289551	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-H+NaCOOH"	66.980151
"116464"	538.278802	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+2Cl"	69.938804
"554201"	789.933502	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+2Cl"	69.938804
"1025915"	286.624102	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2Cl"	69.938804
"1245494"	582.228285	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Br"	78.918885
"1310132"	584.284272	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Cl+HCOOH"	80.974872
"1326534"	606.266229	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Cl+NaCOOH"	102.956829
"916864"	616.294986	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M-H+CF3COOH"	112.985586
"1292115"	652.271664	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Cl+CF3COOH"	148.962264
"1377934"	468.296724	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H-2H2O"	-35.012676
"1392148"	486.3067	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H-H2O"	-17.0027
"294025"	1007.626076	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+H"	1.007276
"689361"	1510.935476	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+H"	1.007276
"1363889"	504.316676	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H"	1.007276
"141366"	504.316676	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+2H"	2.014552
"581208"	755.971376	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+2H"	2.014552
"1052612"	252.661976	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2H"	2.014552
"217049"	336.546876	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+3H"	3.021828
"656978"	504.316676	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+3H"	3.021828
"1178266"	168.777076	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+3H"	3.021828
"436187"	1024.652623	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+NH4"	18.033823
"797913"	1527.962023	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+NH4"	18.033823
"1691327"	521.343223	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+NH4"	18.033823
"341793"	512.8299495	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+H+NH4"	19.041099
"736402"	764.4846495	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+H+NH4"	19.041099
"1492718"	261.1752495	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H+NH4"	19.041099
"408392"	1029.608018	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+Na"	22.989218
"769790"	1532.917418	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+Na"	22.989218
"1618362"	526.298618	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Na"	22.989218
"329913"	515.307647	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+H+Na"	23.996494
"722526"	766.962347	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+H+Na"	23.996494
"1476099"	263.652947	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H+Na"	23.996494
"1067523"	176.10439	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2H+Na"	25.00377
"1269197"	536.342886	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+CH3OH+H"	33.033486
"385590"	1045.581958	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+K"	38.963158
"748772"	1548.891358	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+K"	38.963158
"1553013"	542.272558	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+K"	38.963158
"306909"	523.294617	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+H+K"	39.970434
"703704"	774.949317	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+H+K"	39.970434
"1459717"	271.639917	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H+K"	39.970434
"250876"	1048.652626	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+ACN+H"	42.033826
"1223213"	545.343226	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+ACN+H"	42.033826
"1209802"	273.175251	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+ACN+2H"	43.041102
"201064"	1051.58996	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+2Na-H"	44.97116
"642812"	1554.89936	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+2Na-H"	44.97116
"1146565"	548.28056	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2Na-H"	44.97116
"188234"	526.298618	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+2Na"	45.978436
"626978"	777.953318	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+2Na"	45.978436
"1130485"	274.643918	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2Na"	45.978436
"1412187"	183.431704	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H+2Na"	46.985712
"1437382"	550.322146	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H+HCOOH"	47.012746
"227077"	531.33164	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+3H2O+2H"	56.04448
"1523814"	564.37419	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+IsoProp+H"	61.06479
"421388"	534.285588	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+Na+K"	61.952376
"783845"	785.940288	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+Na+K"	61.952376
"1678721"	282.630888	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Na+K"	61.952376
"264150"	1070.634568	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+ACN+Na"	64.015768
"1240139"	567.325168	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+ACN+Na"	64.015768
"1723558"	567.348693	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+NH4+HCOOH"	64.039293
"1186726"	190.759018	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+3Na"	68.967654
"1663180"	572.304088	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Na+HCOOH"	68.994688
"164573"	1083.53784	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+2K-H"	76.91904
"610330"	1586.84724	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+2K-H"	76.91904
"1094114"	580.22844	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2K-H"	76.91904
"147651"	542.272558	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"2M+2K"	77.926316
"592678"	793.927258	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"3M+2K"	77.926316
"1077194"	290.617858	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2K"	77.926316
"1111494"	582.242992	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2K+H"	78.933592
"1348972"	582.330607	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+DMSO+H"	79.021207
"1018596"	586.369776	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2ACN+H"	83.060376
"1536719"	587.363408	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+IsoProp+Na+H"	84.054008
"1002077"	293.688526	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+2ACN+2H"	84.067652
"1598765"	588.278028	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+K+HCOOH"	84.968628
"1420052"	618.309538	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+H+CF3COOH"	115.000138
"1152526"	314.201801	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+3ACN+2H"	125.094202
"1699892"	635.336085	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+NH4+CF3COOH"	132.026685
"1635540"	640.29148	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+Na+CF3COOH"	136.98208
"1571918"	656.26542	"C15760"	"Pederin"	"C25H45NO9"	"503.3094"	"M+K+CF3COOH"	152.95602
"808123"	865.5188	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M"	0
"984938"	846.50041	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-H2O-H"	-19.01839
"78244"	576.005257333333	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M-3H"	-3.021828
"509463"	864.511524	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M-3H"	-3.021828
"886173"	287.498990666667	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-3H"	-3.021828
"4016"	864.511524	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M-2H"	-2.014552
"444306"	1297.270924	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M-2H"	-2.014552
"818830"	431.752124	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-2H"	-2.014552
"83199"	1730.030324	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M-H"	-1.007276
"520571"	2595.549124	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M-H"	-1.007276
"901653"	864.511524	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-H"	-1.007276
"50561"	1747.056871	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M-2H+NH4"	16.019271
"492310"	2612.575671	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M-2H+NH4"	16.019271
"872301"	881.538071	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-2H+NH4"	16.019271
"38015"	1752.012266	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M-2H+Na"	20.974666
"485232"	2617.531066	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M-2H+Na"	20.974666
"859390"	886.493466	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-2H+Na"	20.974666
"1629288"	886.493466	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Na-2H"	20.974666
"103630"	882.499863	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M-H+Cl"	33.962126
"539909"	1315.259263	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M-H+Cl"	33.962126
"929413"	449.740463	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-H+Cl"	33.962126
"272347"	1766.007002	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+Cl"	34.969402
"662213"	2631.525802	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+Cl"	34.969402
"1280089"	900.488202	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Cl"	34.969402
"22645"	1767.986206	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M-2H+K"	36.948606
"463299"	2633.505006	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M-2H+K"	36.948606
"842199"	902.467406	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-2H+K"	36.948606
"1568604"	902.467406	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+K-2H"	36.948606
"952480"	910.516994	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-H+HCOOH"	44.998194
"369598"	1776.035801	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+HCOOH-H"	44.998201
"354575"	1790.051451	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+Hac-H"	59.013851
"1500128"	924.532651	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Hac-H"	59.013851
"963294"	932.498951	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-H+NaCOOH"	66.980151
"117669"	900.488202	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+2Cl"	69.938804
"560508"	1333.247602	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+2Cl"	69.938804
"1024933"	467.728802	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2Cl"	69.938804
"1246333"	944.437685	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Br"	78.918885
"1309147"	946.493672	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Cl+HCOOH"	80.974872
"1326644"	968.475629	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Cl+NaCOOH"	102.956829
"917703"	978.504386	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M-H+CF3COOH"	112.985586
"1292589"	1014.481064	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Cl+CF3COOH"	148.962264
"1372939"	830.506124	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H-2H2O"	-35.012676
"1388979"	848.5161	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H-H2O"	-17.0027
"298266"	1732.044876	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+H"	1.007276
"687649"	2597.563676	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+H"	1.007276
"1362905"	866.526076	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H"	1.007276
"141236"	866.526076	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+2H"	2.014552
"581348"	1299.285476	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+2H"	2.014552
"1052513"	433.766676	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2H"	2.014552
"213153"	578.019809333333	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+3H"	3.021828
"656724"	866.526076	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+3H"	3.021828
"1178092"	289.513542666667	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+3H"	3.021828
"436299"	1749.071423	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+NH4"	18.033823
"799117"	2614.590223	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+NH4"	18.033823
"1695447"	883.552623	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+NH4"	18.033823
"344090"	875.0393495	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+H+NH4"	19.041099
"736512"	1307.7987495	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+H+NH4"	19.041099
"1492368"	442.2799495	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H+NH4"	19.041099
"407195"	1754.026818	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+Na"	22.989218
"769530"	2619.545618	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+Na"	22.989218
"1617379"	888.508018	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Na"	22.989218
"327050"	877.517047	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+H+Na"	23.996494
"722151"	1310.276447	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+H+Na"	23.996494
"1474384"	444.757647	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H+Na"	23.996494
"1063256"	296.840856666667	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2H+Na"	25.00377
"1268213"	898.552286	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+CH3OH+H"	33.033486
"386794"	1770.000758	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+K"	38.963158
"746697"	2635.519558	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+K"	38.963158
"1553125"	904.481958	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+K"	38.963158
"310301"	885.504017	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+H+K"	39.970434
"701627"	1318.263417	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+H+K"	39.970434
"1457636"	452.744617	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H+K"	39.970434
"250249"	1773.071426	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+ACN+H"	42.033826
"1221865"	907.552626	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+ACN+H"	42.033826
"1206843"	454.279951	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+ACN+2H"	43.041102
"202636"	1776.00876	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+2Na-H"	44.97116
"640736"	2641.52756	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+2Na-H"	44.97116
"1145948"	910.48996	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2Na-H"	44.97116
"187899"	888.508018	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+2Na"	45.978436
"626364"	1321.267418	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+2Na"	45.978436
"1126954"	455.748618	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2Na"	45.978436
"1409021"	304.168170666667	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H+2Na"	46.985712
"1441136"	912.531546	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H+HCOOH"	47.012746
"234113"	893.54104	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+3H2O+2H"	56.04448
"1522546"	926.58359	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+IsoProp+H"	61.06479
"420405"	896.494988	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+Na+K"	61.952376
"784319"	1329.254388	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+Na+K"	61.952376
"1679926"	463.735588	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Na+K"	61.952376
"263167"	1795.053368	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+ACN+Na"	64.015768
"1239887"	929.534568	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+ACN+Na"	64.015768
"1724762"	929.558093	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+NH4+HCOOH"	64.039293
"1191939"	311.495484666667	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+3Na"	68.967654
"1662926"	934.513488	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Na+HCOOH"	68.994688
"168696"	1807.95664	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+2K-H"	76.91904
"608619"	2673.47544	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+2K-H"	76.91904
"1095318"	942.43784	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2K-H"	76.91904
"148857"	904.481958	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"2M+2K"	77.926316
"589510"	1337.241358	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"3M+2K"	77.926316
"1078397"	471.722558	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2K"	77.926316
"1107232"	944.452392	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2K+H"	78.933592
"1347629"	944.540007	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+DMSO+H"	79.021207
"1016887"	948.579176	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2ACN+H"	83.060376
"1536470"	949.572808	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+IsoProp+Na+H"	84.054008
"1003280"	474.793226	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+2ACN+2H"	84.067652
"1598876"	950.487428	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+K+HCOOH"	84.968628
"1424536"	980.518938	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+H+CF3COOH"	115.000138
"1152636"	495.306501	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+3ACN+2H"	125.094202
"1700002"	997.545485	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+NH4+CF3COOH"	132.026685
"1635651"	1002.50088	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+Na+CF3COOH"	136.98208
"1573850"	1018.47482	"C15761"	"Concanamycin A"	"C46H75NO14"	"865.5188"	"M+K+CF3COOH"	152.95602
"810420"	793.4473	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M"	0
"985046"	774.42891	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-H2O-H"	-19.01839
"74381"	527.957590666667	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M-3H"	-3.021828
"517912"	792.440024	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M-3H"	-3.021828
"892840"	263.475157333333	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-3H"	-3.021828
"10323"	792.440024	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M-2H"	-2.014552
"450978"	1189.163674	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M-2H"	-2.014552
"828781"	395.716374	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-2H"	-2.014552
"83309"	1585.887324	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M-H"	-1.007276
"526148"	2379.334624	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M-H"	-1.007276
"902857"	792.440024	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-H"	-1.007276
"52858"	1602.913871	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M-2H+NH4"	16.019271
"492420"	2396.361171	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M-2H+NH4"	16.019271
"875935"	809.466571	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-2H+NH4"	16.019271
"39219"	1607.869266	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M-2H+Na"	20.974666
"485221"	2401.316566	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M-2H+Na"	20.974666
"862052"	814.421966	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-2H+Na"	20.974666
"1629398"	814.421966	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Na-2H"	20.974666
"107750"	810.428363	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M-H+Cl"	33.962126
"544029"	1207.152013	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M-H+Cl"	33.962126
"939730"	413.704713	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-H+Cl"	33.962126
"273549"	1621.864002	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+Cl"	34.969402
"670344"	2415.311302	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+Cl"	34.969402
"1284573"	828.416702	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Cl"	34.969402
"28588"	1623.843206	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M-2H+K"	36.948606
"464503"	2417.290506	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M-2H+K"	36.948606
"842309"	830.395906	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-2H+K"	36.948606
"1566891"	830.395906	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+K-2H"	36.948606
"956964"	838.445494	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-H+HCOOH"	44.998194
"370802"	1631.892801	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+HCOOH-H"	44.998201
"352499"	1645.908451	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+Hac-H"	59.013851
"1500238"	852.461151	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Hac-H"	59.013851
"967414"	860.427451	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-H+NaCOOH"	66.980151
"117779"	828.416702	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+2Cl"	69.938804
"559525"	1225.140352	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+2Cl"	69.938804
"1027959"	431.693052	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2Cl"	69.938804
"1252277"	872.366185	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Br"	78.918885
"1312539"	874.422172	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Cl+HCOOH"	80.974872
"1327118"	896.404129	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Cl+NaCOOH"	102.956829
"916352"	906.432886	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M-H+CF3COOH"	112.985586
"1293063"	942.409564	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Cl+CF3COOH"	148.962264
"1378153"	758.434624	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H-2H2O"	-35.012676
"1390182"	776.4446	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H-H2O"	-17.0027
"297891"	1587.901876	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+H"	1.007276
"687760"	2381.349176	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+H"	1.007276
"1366173"	794.454576	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H"	1.007276
"140776"	794.454576	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+2H"	2.014552
"580947"	1191.178226	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+2H"	2.014552
"1052054"	397.730926	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2H"	2.014552
"219670"	529.972142666667	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+3H"	3.021828
"658292"	794.454576	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+3H"	3.021828
"1177961"	265.489709333333	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+3H"	3.021828
"439327"	1604.928423	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+NH4"	18.033823
"801133"	2398.375723	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+NH4"	18.033823
"1693735"	811.481123	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+NH4"	18.033823
"343837"	802.9678495	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+H+NH4"	19.041099
"736622"	1199.6914995	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+H+NH4"	19.041099
"1492680"	406.2441995	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H+NH4"	19.041099
"407998"	1609.883818	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+Na"	22.989218
"768908"	2403.331118	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+Na"	22.989218
"1616030"	816.436518	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Na"	22.989218
"328254"	805.445547	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+H+Na"	23.996494
"722628"	1202.169197	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+H+Na"	23.996494
"1474496"	408.721897	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H+Na"	23.996494
"1062272"	272.817023333333	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2H+Na"	25.00377
"1268325"	826.480786	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+CH3OH+H"	33.033486
"387998"	1625.857758	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+K"	38.963158
"745714"	2419.305058	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+K"	38.963158
"1551049"	832.410458	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+K"	38.963158
"307131"	813.432517	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+H+K"	39.970434
"699551"	1210.156167	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+H+K"	39.970434
"1454463"	416.708867	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H+K"	39.970434
"245252"	1628.928426	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+ACN+H"	42.033826
"1219055"	835.481126	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+ACN+H"	42.033826
"1208407"	418.244201	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+ACN+2H"	43.041102
"197999"	1631.86576	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+2Na-H"	44.97116
"640476"	2425.31306	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+2Na-H"	44.97116
"1143254"	838.41846	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2Na-H"	44.97116
"187888"	816.436518	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+2Na"	45.978436
"628181"	1213.160168	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+2Na"	45.978436
"1130955"	419.712868	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2Na"	45.978436
"1413750"	280.144337333333	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H+2Na"	46.985712
"1445096"	840.460046	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H+HCOOH"	47.012746
"235316"	821.46954	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+3H2O+2H"	56.04448
"1523016"	854.51209	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+IsoProp+H"	61.06479
"417232"	824.423488	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+Na+K"	61.952376
"781510"	1221.147138	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+Na+K"	61.952376
"1679676"	427.699838	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Na+K"	61.952376
"261091"	1650.910368	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+ACN+Na"	64.015768
"1238905"	857.463068	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+ACN+Na"	64.015768
"1723051"	857.486593	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+NH4+HCOOH"	64.039293
"1188039"	287.471651333333	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+3Na"	68.967654
"1659025"	862.441988	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Na+HCOOH"	68.994688
"164795"	1663.81364	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+2K-H"	76.91904
"604355"	2457.26094	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+2K-H"	76.91904
"1089961"	870.36634	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2K-H"	76.91904
"142768"	832.410458	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"2M+2K"	77.926316
"585247"	1229.134108	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"3M+2K"	77.926316
"1074133"	435.686808	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2K"	77.926316
"1101876"	872.380892	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2K+H"	78.933592
"1346646"	872.468507	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+DMSO+H"	79.021207
"1015175"	876.507676	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2ACN+H"	83.060376
"1534394"	877.501308	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+IsoProp+Na+H"	84.054008
"1001935"	438.757476	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+2ACN+2H"	84.067652
"1596800"	878.415928	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+K+HCOOH"	84.968628
"1424647"	908.447438	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+H+CF3COOH"	115.000138
"1160399"	459.270751	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+3ACN+2H"	125.094202
"1700111"	925.473985	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+NH4+CF3COOH"	132.026685
"1636853"	930.42938	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+Na+CF3COOH"	136.98208
"1572868"	946.40332	"C15762"	"Onnamide A;Onnamide"	"C39H63N5O12"	"793.4473"	"M+K+CF3COOH"	152.95602
"808343"	1112.3732	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M"	0
"978596"	1093.35481	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-H2O-H"	-19.01839
"67931"	740.574857333333	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M-3H"	-3.021828
"516968"	1111.365924	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M-3H"	-3.021828
"891855"	369.783790666667	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-3H"	-3.021828
"10433"	1111.365924	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M-2H"	-2.014552
"447808"	1667.552524	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M-2H"	-2.014552
"827797"	555.179324	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-2H"	-2.014552
"89978"	2223.739124	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M-H"	-1.007276
"527351"	3336.112324	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M-H"	-1.007276
"904059"	1111.365924	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-H"	-1.007276
"56248"	2240.765671	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M-2H+NH4"	16.019271
"494717"	3353.138871	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M-2H+NH4"	16.019271
"875799"	1128.392471	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-2H+NH4"	16.019271
"40422"	2245.721066	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M-2H+Na"	20.974666
"483263"	3358.094266	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M-2H+Na"	20.974666
"863828"	1133.347866	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-2H+Na"	20.974666
"1632424"	1133.347866	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Na-2H"	20.974666
"107132"	1129.354263	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M-H+Cl"	33.962126
"544504"	1685.540863	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M-H+Cl"	33.962126
"935831"	573.167663	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-H+Cl"	33.962126
"275483"	2259.715802	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+Cl"	34.969402
"672277"	3372.089002	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+Cl"	34.969402
"1284683"	1147.342602	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Cl"	34.969402
"27239"	2261.695006	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M-2H+K"	36.948606
"467893"	3374.068206	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M-2H+K"	36.948606
"845701"	1149.321806	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-2H+K"	36.948606
"1568094"	1149.321806	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+K-2H"	36.948606
"957076"	1157.371394	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-H+HCOOH"	44.998194
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"359173"	2283.760251	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+Hac-H"	59.013851
"1505816"	1171.387051	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Hac-H"	59.013851
"967888"	1179.353351	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-H+NaCOOH"	66.980151
"116796"	1147.342602	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+2Cl"	69.938804
"560730"	1703.529202	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+2Cl"	69.938804
"1029528"	591.156002	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2Cl"	69.938804
"1254210"	1191.292085	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Br"	78.918885
"1314837"	1193.348072	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Cl+HCOOH"	80.974872
"1329050"	1215.330029	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Cl+NaCOOH"	102.956829
"915005"	1225.358786	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M-H+CF3COOH"	112.985586
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"1365311"	1113.380476	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+H"	1.007276
"139673"	1113.380476	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+2H"	2.014552
"581312"	1669.567076	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+2H"	2.014552
"1051312"	557.193876	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2H"	2.014552
"218846"	742.589409333333	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+3H"	3.021828
"657308"	1113.380476	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+3H"	3.021828
"1178110"	371.798342666667	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+3H"	3.021828
"437248"	2242.780223	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+NH4"	18.033823
"798608"	3355.153423	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+NH4"	18.033823
"1694575"	1130.407023	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+NH4"	18.033823
"342489"	1121.8937495	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+H+NH4"	19.041099
"736004"	1678.0803495	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+H+NH4"	19.041099
"1492674"	565.7071495	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+H+NH4"	19.041099
"405952"	2247.735618	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+Na"	22.989218
"768776"	3360.108818	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+Na"	22.989218
"1616871"	1135.362418	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Na"	22.989218
"329633"	1124.371447	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+H+Na"	23.996494
"719691"	1680.558047	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+H+Na"	23.996494
"1473511"	568.184847	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+H+Na"	23.996494
"1063476"	379.125656666667	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2H+Na"	25.00377
"1268435"	1145.406686	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+CH3OH+H"	33.033486
"389202"	2263.709558	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+K"	38.963158
"752021"	3376.082758	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+K"	38.963158
"1553346"	1151.336358	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+K"	38.963158
"311615"	1132.358417	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+H+K"	39.970434
"701847"	1688.545017	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+H+K"	39.970434
"1454574"	576.171817	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+H+K"	39.970434
"244269"	2266.780226	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+ACN+H"	42.033826
"1219165"	1154.407026	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+ACN+H"	42.033826
"1206696"	577.707151	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+ACN+2H"	43.041102
"201024"	2269.71756	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+2Na-H"	44.97116
"641316"	3382.09076	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+2Na-H"	44.97116
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"187878"	1135.362418	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+2Na"	45.978436
"628412"	1691.549018	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+2Na"	45.978436
"1129357"	579.175818	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2Na"	45.978436
"1413943"	386.452970666667	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+H+2Na"	46.985712
"1445550"	1159.385946	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+H+HCOOH"	47.012746
"234333"	1140.39544	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+3H2O+2H"	56.04448
"1523127"	1173.43799	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+IsoProp+H"	61.06479
"418435"	1143.349388	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+Na+K"	61.952376
"782713"	1699.535988	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+Na+K"	61.952376
"1679043"	587.162788	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Na+K"	61.952376
"260837"	2288.762168	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+ACN+Na"	64.015768
"1237557"	1176.388968	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+ACN+Na"	64.015768
"1722068"	1176.412493	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+NH4+HCOOH"	64.039293
"1187055"	393.780284666667	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+3Na"	68.967654
"1659135"	1181.367888	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+Na+HCOOH"	68.994688
"163812"	2301.66544	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+2K-H"	76.91904
"602278"	3414.03864	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+2K-H"	76.91904
"1091165"	1189.29224	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2K-H"	76.91904
"147982"	1151.336358	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"2M+2K"	77.926316
"588637"	1707.522958	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"3M+2K"	77.926316
"1076430"	595.149758	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2K"	77.926316
"1101985"	1191.306792	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2K+H"	78.933592
"1343839"	1191.394407	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+DMSO+H"	79.021207
"1017836"	1195.433576	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2ACN+H"	83.060376
"1535959"	1196.427208	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+IsoProp+Na+H"	84.054008
"1002409"	598.220426	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+2ACN+2H"	84.067652
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"1422569"	1227.373338	"C15763"	"SW 163C"	"C52H60N10O14S2"	"1112.3732"	"M+H+CF3COOH"	115.000138
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"980893"	1107.37041	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M-H2O-H"	-19.01839
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"877731"	1142.408071	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M-2H+NH4"	16.019271
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"484465"	3400.141066	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M-2H+Na"	20.974666
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"846540"	1163.337406	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M-2H+K"	36.948606
"1568204"	1163.337406	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+K-2H"	36.948606
"957188"	1171.386994	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M-H+HCOOH"	44.998194
"376493"	2297.775801	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+HCOOH-H"	44.998201
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"967635"	1193.368951	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M-H+NaCOOH"	66.980151
"113624"	1161.358202	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+2Cl"	69.938804
"564120"	1724.552602	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+2Cl"	69.938804
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"1254685"	1205.307685	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+Br"	78.918885
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"1329162"	1229.345629	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+Cl+NaCOOH"	102.956829
"919128"	1239.374386	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M-H+CF3COOH"	112.985586
"1294743"	1275.351064	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+Cl+CF3COOH"	148.962264
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"139416"	1127.396076	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+2H"	2.014552
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"1051785"	564.201676	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2H"	2.014552
"219645"	751.933142666667	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+3H"	3.021828
"658757"	1127.396076	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+3H"	3.021828
"1177734"	376.470209333333	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+3H"	3.021828
"435535"	2270.811423	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+NH4"	18.033823
"799447"	3397.200223	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+NH4"	18.033823
"1692862"	1144.422623	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+NH4"	18.033823
"341870"	1135.9093495	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+H+NH4"	19.041099
"736478"	1699.1037495	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+H+NH4"	19.041099
"1491637"	572.7149495	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+H+NH4"	19.041099
"404969"	2275.766818	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+Na"	22.989218
"768889"	3402.155618	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+Na"	22.989218
"1617348"	1149.378018	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+Na"	22.989218
"329692"	1138.387047	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+H+Na"	23.996494
"719801"	1701.581447	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+H+Na"	23.996494
"1476540"	575.192647	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+H+Na"	23.996494
"1064679"	383.797523333333	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2H+Na"	25.00377
"1270733"	1159.422286	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+CH3OH+H"	33.033486
"391868"	2291.740758	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+K"	38.963158
"750309"	3418.129558	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+K"	38.963158
"1552729"	1165.351958	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+K"	38.963158
"309539"	1146.374017	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+H+K"	39.970434
"703782"	1709.568417	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+H+K"	39.970434
"1458695"	583.179617	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+H+K"	39.970434
"249483"	2294.811426	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+ACN+H"	42.033826
"1221101"	1168.422626	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+ACN+H"	42.033826
"1205348"	584.714951	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+ACN+2H"	43.041102
"201134"	2297.74876	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+2Na-H"	44.97116
"640332"	3424.13756	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+2Na-H"	44.97116
"1143839"	1171.35996	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2Na-H"	44.97116
"187130"	1149.378018	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+2Na"	45.978436
"626326"	1712.572418	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+2Na"	45.978436
"1131277"	586.183618	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2Na"	45.978436
"1411897"	391.124837333333	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+H+2Na"	46.985712
"1442919"	1173.401546	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+H+HCOOH"	47.012746
"234929"	1154.41104	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+3H2O+2H"	56.04448
"1522140"	1187.45359	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+IsoProp+H"	61.06479
"417452"	1157.364988	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+Na+K"	61.952376
"784892"	1720.559388	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+Na+K"	61.952376
"1678059"	594.170588	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+Na+K"	61.952376
"263498"	2316.793368	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+ACN+Na"	64.015768
"1237301"	1190.404568	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+ACN+Na"	64.015768
"1724000"	1190.428093	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+NH4+HCOOH"	64.039293
"1190445"	398.452151333333	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+3Na"	68.967654
"1662891"	1195.383488	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+Na+HCOOH"	68.994688
"162829"	2329.69664	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+2K-H"	76.91904
"603483"	3456.08544	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+2K-H"	76.91904
"1093462"	1203.30784	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2K-H"	76.91904
"151373"	1165.351958	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"2M+2K"	77.926316
"590934"	1728.546358	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"3M+2K"	77.926316
"1077635"	602.157558	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2K"	77.926316
"1104281"	1205.322392	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2K+H"	78.933592
"1337387"	1205.410007	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+DMSO+H"	79.021207
"1014665"	1209.449176	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2ACN+H"	83.060376
"1538626"	1210.442808	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+IsoProp+Na+H"	84.054008
"1003615"	605.228226	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+2ACN+2H"	84.067652
"1602126"	1211.357428	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+K+HCOOH"	84.968628
"1429242"	1241.388938	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+H+CF3COOH"	115.000138
"1161713"	625.741501	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+3ACN+2H"	125.094202
"1702518"	1258.415485	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+NH4+CF3COOH"	132.026685
"1637074"	1263.37088	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+Na+CF3COOH"	136.98208
"1572725"	1279.34482	"C15764"	"UK 63598"	"C53H62N10O14S2"	"1126.3888"	"M+K+CF3COOH"	152.95602
"808563"	208.1099	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M"	0
"976629"	189.09151	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"64870"	137.732657333333	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"503126"	207.102624	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"890982"	68.3626906666667	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"5184"	207.102624	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"449118"	311.157574	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"824734"	103.047674	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"89106"	415.212524	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"527571"	623.322424	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"902092"	207.102624	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"56467"	432.239071	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"496030"	640.348971	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"878450"	224.129171	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"43922"	437.194466	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"485184"	645.304366	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"863847"	229.084566	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1633666"	229.084566	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"109893"	225.090963	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"548005"	329.145913	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"940425"	121.036013	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"277888"	451.189202	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"674928"	659.299102	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1285996"	243.079302	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"29281"	453.168406	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"470545"	661.278306	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"843733"	245.058506	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1566127"	245.058506	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"957295"	253.108094	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"375508"	461.218001	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"359391"	475.233651	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1506036"	267.123751	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"967016"	275.090051	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"113735"	243.079302	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"562043"	347.134252	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1030843"	139.024352	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1251513"	287.028785	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1308495"	289.084772	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1327085"	311.066729	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"917051"	321.095486	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1293759"	357.072164	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1377390"	173.097224	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1392698"	191.1072	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"295667"	417.227076	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"690154"	625.336976	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1366626"	209.117176	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"139528"	209.117176	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"580991"	313.172126	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1051897"	105.062226	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"218706"	139.747209333333	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"657529"	209.117176	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1173467"	70.3772426666667	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"436738"	434.253623	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"798464"	642.363523	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1691879"	226.143723	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"342344"	217.6304495	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"735131"	321.6853995	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1490046"	113.5754995	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"405079"	439.209018	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"767907"	647.318918	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1614907"	231.099118	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"328709"	220.108147	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"719911"	324.163097	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1475436"	116.053197	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1062603"	77.7045566666667	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1267564"	241.143386	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"391976"	455.182958	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"751513"	663.292858	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1551381"	247.073058	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"307462"	228.095117	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"702070"	332.150067	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1455890"	124.040167	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"243399"	458.253626	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1218295"	250.143726	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1201085"	125.575501	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"197236"	461.19096	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"637890"	669.30086	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1143220"	253.08106	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"184687"	231.099118	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"624976"	335.154068	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1129822"	127.044168	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1410913"	85.0318706666667	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1441936"	255.122646	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"235282"	236.13214	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1522737"	269.17469	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"417562"	239.086088	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"781840"	343.141038	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1675983"	135.031138	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"263608"	480.235568	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1237776"	272.125668	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1724110"	272.149193	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1190558"	92.3591846666667	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1662637"	277.104588	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"164033"	493.13884	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"604687"	701.24874	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1091386"	285.02894	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"150390"	247.073058	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"587764"	351.128008	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1075558"	143.018108	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1104389"	287.043492	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1342961"	287.131107	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1012588"	291.170276	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1539100"	292.163908	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"1005059"	146.088776	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1601507"	293.078528	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1427165"	323.110038	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1161823"	166.602051	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1702628"	340.136585	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1638278"	345.09198	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1572835"	361.06592	"C15765"	"Coronafacic acid"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"808675"	844.5337	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M"	0
"978926"	825.51531	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-H2O-H"	-19.01839
"68260"	562.015190666667	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M-3H"	-3.021828
"506726"	843.526424	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M-3H"	-3.021828
"892185"	280.503957333333	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-3H"	-3.021828
"8573"	843.526424	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M-2H"	-2.014552
"449228"	1265.793274	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M-2H"	-2.014552
"828124"	421.259574	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-2H"	-2.014552
"91040"	1688.060124	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M-H"	-1.007276
"524400"	2532.593824	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M-H"	-1.007276
"908399"	843.526424	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-H"	-1.007276
"57674"	1705.086671	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M-2H+NH4"	16.019271
"500273"	2549.620371	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M-2H+NH4"	16.019271
"877834"	860.552971	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-2H+NH4"	16.019271
"44032"	1710.042066	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M-2H+Na"	20.974666
"485174"	2554.575766	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M-2H+Na"	20.974666
"862496"	865.508366	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-2H+Na"	20.974666
"1629841"	865.508366	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Na-2H"	20.974666
"104182"	861.514763	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M-H+Cl"	33.962126
"547021"	1283.781613	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M-H+Cl"	33.962126
"935070"	439.247913	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-H+Cl"	33.962126
"271438"	1724.036802	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+Cl"	34.969402
"668236"	2568.570502	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+Cl"	34.969402
"1281732"	879.503102	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Cl"	34.969402
"26476"	1726.016006	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M-2H+K"	36.948606
"466036"	2570.549706	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M-2H+K"	36.948606
"843843"	881.482306	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-2H+K"	36.948606
"1561863"	881.482306	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+K-2H"	36.948606
"957730"	889.531894	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-H+HCOOH"	44.998194
"375984"	1734.065601	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+HCOOH-H"	44.998201
"359137"	1748.081251	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+Hac-H"	59.013851
"1504688"	903.547551	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Hac-H"	59.013851
"967855"	911.513851	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-H+NaCOOH"	66.980151
"112753"	879.503102	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+2Cl"	69.938804
"550850"	1301.769952	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+2Cl"	69.938804
"1024392"	457.236252	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2Cl"	69.938804
"1245063"	923.452585	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Br"	78.918885
"1305325"	925.508572	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Cl+HCOOH"	80.974872
"1325008"	947.490529	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Cl+NaCOOH"	102.956829
"913880"	957.519286	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M-H+CF3COOH"	112.985586
"1297149"	993.495964	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Cl+CF3COOH"	148.962264
"1379686"	809.521024	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H-2H2O"	-35.012676
"1386248"	827.531	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H-H2O"	-17.0027
"296505"	1690.074676	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+H"	1.007276
"690022"	2534.608376	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+H"	1.007276
"1364547"	845.540976	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H"	1.007276
"138911"	845.540976	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+2H"	2.014552
"580898"	1267.807826	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+2H"	2.014552
"1051521"	423.274126	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2H"	2.014552
"218450"	564.029742666667	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+3H"	3.021828
"659343"	845.540976	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+3H"	3.021828
"1174670"	282.518509333333	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+3H"	3.021828
"435756"	1707.101223	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+NH4"	18.033823
"797483"	2551.634923	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+NH4"	18.033823
"1694176"	862.567523	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+NH4"	18.033823
"339174"	854.0542495	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+H+NH4"	19.041099
"734512"	1276.3210995	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+H+NH4"	19.041099
"1491737"	431.7873995	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H+NH4"	19.041099
"406901"	1712.056618	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+Na"	22.989218
"768988"	2556.590318	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+Na"	22.989218
"1617329"	867.522918	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Na"	22.989218
"328706"	856.531947	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+H+Na"	23.996494
"721728"	1278.798797	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+H+Na"	23.996494
"1476159"	434.265097	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H+Na"	23.996494
"1062714"	289.845823333333	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2H+Na"	25.00377
"1268768"	877.567186	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+CH3OH+H"	33.033486
"391600"	1728.030558	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+K"	38.963158
"752962"	2572.564258	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+K"	38.963158
"1554166"	883.496858	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+K"	38.963158
"312921"	864.518917	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+H+K"	39.970434
"704733"	1286.785767	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+H+K"	39.970434
"1457094"	442.252067	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H+K"	39.970434
"243508"	1731.101226	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+ACN+H"	42.033826
"1219499"	886.567526	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+ACN+H"	42.033826
"1201195"	443.787401	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+ACN+2H"	43.041102
"198438"	1734.03856	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+2Na-H"	44.97116
"639459"	2578.57226	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+2Na-H"	44.97116
"1144794"	889.50486	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2Na-H"	44.97116
"184797"	867.522918	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+2Na"	45.978436
"623627"	1289.789768	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+2Na"	45.978436
"1128958"	445.256068	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2Na"	45.978436
"1410293"	297.173137333333	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H+2Na"	46.985712
"1439130"	891.546446	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H+HCOOH"	47.012746
"226638"	872.55594	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+3H2O+2H"	56.04448
"1520169"	905.59849	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+IsoProp+H"	61.06479
"423628"	875.509888	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+Na+K"	61.952376
"783042"	1297.776738	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+Na+K"	61.952376
"1677188"	453.243038	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Na+K"	61.952376
"264086"	1753.083168	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+ACN+Na"	64.015768
"1238252"	908.549468	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+ACN+Na"	64.015768
"1724223"	908.572993	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+NH4+HCOOH"	64.039293
"1191763"	304.500451333333	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+3Na"	68.967654
"1662384"	913.528388	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Na+HCOOH"	68.994688
"161957"	1765.98644	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+2K-H"	76.91904
"604797"	2610.52014	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+2K-H"	76.91904
"1091496"	921.45274	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2K-H"	76.91904
"150502"	883.496858	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"2M+2K"	77.926316
"590062"	1305.763708	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"3M+2K"	77.926316
"1077490"	461.230008	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2K"	77.926316
"1103408"	923.467292	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2K+H"	78.933592
"1339795"	923.554907	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+DMSO+H"	79.021207
"1018167"	927.594076	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2ACN+H"	83.060376
"1538114"	928.587708	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+IsoProp+Na+H"	84.054008
"1002738"	464.300676	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+2ACN+2H"	84.067652
"1600159"	929.502328	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+K+HCOOH"	84.968628
"1427275"	959.533838	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+H+CF3COOH"	115.000138
"1162179"	484.813951	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+3ACN+2H"	125.094202
"1702738"	976.560385	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+NH4+CF3COOH"	132.026685
"1637294"	981.51578	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+Na+CF3COOH"	136.98208
"1572945"	997.48972	"C15766"	"Halstoctacosanolide A"	"C48H76O12"	"844.5337"	"M+K+CF3COOH"	152.95602
"808785"	232.1059	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M"	0
"976849"	213.08751	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-H2O-H"	-19.01839
"71650"	153.729990666667	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M-3H"	-3.021828
"510117"	231.098624	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M-3H"	-3.021828
"886828"	76.3613573333333	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-3H"	-3.021828
"7590"	231.098624	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M-2H"	-2.014552
"449338"	347.151574	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M-2H"	-2.014552
"826046"	115.045674	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-2H"	-2.014552
"88230"	463.204524	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M-H"	-1.007276
"524510"	695.310424	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M-H"	-1.007276
"904499"	231.098624	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-H"	-1.007276
"59969"	480.231071	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M-2H+NH4"	16.019271
"501722"	712.336971	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M-2H+NH4"	16.019271
"879160"	248.125171	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-2H+NH4"	16.019271
"41955"	485.186466	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M-2H+Na"	20.974666
"485770"	717.292366	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M-2H+Na"	20.974666
"862606"	253.080566	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-2H+Na"	20.974666
"1629951"	253.080566	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Na-2H"	20.974666
"106479"	249.086963	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M-H+Cl"	33.962126
"549201"	365.139913	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M-H+Cl"	33.962126
"937367"	133.034013	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-H+Cl"	33.962126
"271548"	499.181202	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+Cl"	34.969402
"667253"	731.287102	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+Cl"	34.969402
"1282935"	267.075302	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Cl"	34.969402
"24401"	501.160406	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M-2H+K"	36.948606
"465053"	733.266306	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M-2H+K"	36.948606
"845047"	269.054506	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-2H+K"	36.948606
"1563067"	269.054506	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+K-2H"	36.948606
"957150"	277.104094	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-H+HCOOH"	44.998194
"376095"	509.210001	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+HCOOH-H"	44.998201
"359247"	523.225651	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+Hac-H"	59.013851
"1504798"	291.119751	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Hac-H"	59.013851
"967965"	299.086051	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-H+NaCOOH"	66.980151
"110676"	267.075302	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+2Cl"	69.938804
"555702"	383.128252	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+2Cl"	69.938804
"1024502"	151.022352	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2Cl"	69.938804
"1249548"	311.024785	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Br"	78.918885
"1309810"	313.080772	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Cl+HCOOH"	80.974872
"1326213"	335.062729	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Cl+NaCOOH"	102.956829
"918365"	345.091486	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M-H+CF3COOH"	112.985586
"1293978"	381.068164	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Cl+CF3COOH"	148.962264
"1379797"	197.093224	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H-2H2O"	-35.012676
"1386358"	215.1032	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H-H2O"	-17.0027
"297345"	465.219076	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+H"	1.007276
"690131"	697.324976	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+H"	1.007276
"1364657"	233.113176	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H"	1.007276
"140842"	233.113176	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+2H"	2.014552
"580769"	349.166126	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+2H"	2.014552
"1052363"	117.060226	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2H"	2.014552
"219290"	155.744542666667	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+3H"	3.021828
"659918"	233.113176	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+3H"	3.021828
"1173686"	78.3759093333333	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+3H"	3.021828
"435866"	482.245623	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+NH4"	18.033823
"800509"	714.351523	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+NH4"	18.033823
"1691005"	250.139723	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+NH4"	18.033823
"339284"	241.6264495	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+H+NH4"	19.041099
"734986"	357.6793995	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+H+NH4"	19.041099
"1490994"	125.5734995	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H+NH4"	19.041099
"407859"	487.201018	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+Na"	22.989218
"769463"	719.306918	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+Na"	22.989218
"1618046"	255.095118	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Na"	22.989218
"329541"	244.104147	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+H+Na"	23.996494
"721471"	360.157097	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+H+Na"	23.996494
"1476266"	128.051197	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H+Na"	23.996494
"1063917"	85.7032233333333	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2H+Na"	25.00377
"1268872"	265.139386	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+CH3OH+H"	33.033486
"392319"	503.174958	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+K"	38.963158
"753798"	735.280858	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+K"	38.963158
"1554759"	271.069058	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+K"	38.963158
"309869"	252.091117	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+H+K"	39.970434
"702291"	368.144067	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+H+K"	39.970434
"1452831"	136.038167	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H+K"	39.970434
"241431"	506.245626	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+ACN+H"	42.033826
"1215234"	274.139726	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+ACN+H"	42.033826
"1201305"	137.573501	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+ACN+2H"	43.041102
"197455"	509.18296	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+2Na-H"	44.97116
"639569"	741.28886	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+2Na-H"	44.97116
"1144899"	277.07706	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2Na-H"	44.97116
"184906"	255.095118	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+2Na"	45.978436
"623372"	371.148068	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+2Na"	45.978436
"1129066"	139.042168	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2Na"	45.978436
"1409309"	93.0305373333333	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H+2Na"	46.985712
"1435960"	279.118646	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H+HCOOH"	47.012746
"224562"	260.12814	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+3H2O+2H"	56.04448
"1514811"	293.17069	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+IsoProp+H"	61.06479
"423130"	263.082088	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+Na+K"	61.952376
"784612"	379.135038	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+Na+K"	61.952376
"1679485"	147.029138	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Na+K"	61.952376
"265290"	528.227568	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+ACN+Na"	64.015768
"1238362"	296.121668	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+ACN+Na"	64.015768
"1726883"	296.145193	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+NH4+HCOOH"	64.039293
"1190415"	100.357851333333	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+3Na"	68.967654
"1664315"	301.100588	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Na+HCOOH"	68.994688
"164254"	541.13084	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+2K-H"	76.91904
"604908"	773.23674	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+2K-H"	76.91904
"1092699"	309.02494	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2K-H"	76.91904
"150612"	271.069058	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"2M+2K"	77.926316
"590172"	387.122008	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"3M+2K"	77.926316
"1076870"	155.016108	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2K"	77.926316
"1104614"	311.039492	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2K+H"	78.933592
"1342092"	311.127107	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+DMSO+H"	79.021207
"1014996"	315.166276	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2ACN+H"	83.060376
"1538589"	316.159908	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+IsoProp+Na+H"	84.054008
"1002849"	158.086776	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+2ACN+2H"	84.067652
"1602217"	317.074528	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+K+HCOOH"	84.968628
"1428967"	347.106038	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+H+CF3COOH"	115.000138
"1161925"	178.600051	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+3ACN+2H"	125.094202
"1705034"	364.132585	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+NH4+CF3COOH"	132.026685
"1639591"	369.08798	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+Na+CF3COOH"	136.98208
"1573055"	385.06192	"C15767"	"4-(L-gamma-Glutamylamino)butanoate;4-(gamma-L-Glutamylamino)butanoate;gamma-Glutamyl-gamma-aminobutyrate;4-(Glutamylamino)butanoate;gamma-Glutamyl-GABA"	"C9H16N2O5"	"232.1059"	"M+K+CF3COOH"	152.95602
"808895"	373.1009	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M"	0
"979146"	354.08251	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-H2O-H"	-19.01839
"68480"	247.726657333333	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M-3H"	-3.021828
"508040"	372.093624	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M-3H"	-3.021828
"886938"	123.359690666667	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-3H"	-3.021828
"7699"	372.093624	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M-2H"	-2.014552
"447261"	558.644074	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M-2H"	-2.014552
"826157"	185.543174	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-2H"	-2.014552
"88340"	745.194524	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M-H"	-1.007276
"524620"	1118.295424	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M-H"	-1.007276
"904609"	372.093624	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-H"	-1.007276
"58987"	762.221071	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M-2H+NH4"	16.019271
"501832"	1135.321971	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M-2H+NH4"	16.019271
"879270"	389.120171	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-2H+NH4"	16.019271
"46075"	767.176466	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M-2H+Na"	20.974666
"486364"	1140.277366	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M-2H+Na"	20.974666
"863684"	394.075566	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-2H+Na"	20.974666
"1632853"	394.075566	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Na-2H"	20.974666
"108294"	390.081963	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M-H+Cl"	33.962126
"545054"	576.632413	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M-H+Cl"	33.962126
"937477"	203.531513	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-H+Cl"	33.962126
"272752"	781.171202	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+Cl"	34.969402
"670643"	1154.272102	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+Cl"	34.969402
"1284138"	408.070302	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Cl"	34.969402
"24511"	783.150406	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M-2H+K"	36.948606
"467349"	1156.251306	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M-2H+K"	36.948606
"844063"	410.049506	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-2H+K"	36.948606
"1562083"	410.049506	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+K-2H"	36.948606
"956168"	418.099094	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-H+HCOOH"	44.998194
"374017"	791.200001	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+HCOOH-H"	44.998201
"360452"	805.215651	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+Hac-H"	59.013851
"1503815"	432.114751	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Hac-H"	59.013851
"969532"	440.081051	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-H+NaCOOH"	66.980151
"110096"	408.070302	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+2Cl"	69.938804
"550262"	594.620752	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+2Cl"	69.938804
"1023518"	221.519852	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2Cl"	69.938804
"1245283"	452.019785	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Br"	78.918885
"1306638"	454.075772	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Cl+HCOOH"	80.974872
"1324135"	476.057729	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Cl+NaCOOH"	102.956829
"912641"	486.086486	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M-H+CF3COOH"	112.985586
"1290078"	522.063164	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Cl+CF3COOH"	148.962264
"1375533"	338.088224	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H-2H2O"	-35.012676
"1385374"	356.0982	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H-H2O"	-17.0027
"296361"	747.209076	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+H"	1.007276
"690241"	1120.309976	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+H"	1.007276
"1364403"	374.108176	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H"	1.007276
"141277"	374.108176	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+2H"	2.014552
"580953"	560.658626	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+2H"	2.014552
"1051614"	187.557726	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2H"	2.014552
"217934"	249.741209333333	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+3H"	3.021828
"658588"	374.108176	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+3H"	3.021828
"1173796"	125.374242666667	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+3H"	3.021828
"432695"	764.235623	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+NH4"	18.033823
"799524"	1137.336523	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+NH4"	18.033823
"1692208"	391.134723	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+NH4"	18.033823
"338300"	382.6214495	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+H+NH4"	19.041099
"734002"	569.1718995	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+H+NH4"	19.041099
"1492199"	196.0709995	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H+NH4"	19.041099
"408170"	769.191018	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+Na"	22.989218
"769733"	1142.291918	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+Na"	22.989218
"1616693"	396.090118	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Na"	22.989218
"329160"	385.099147	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+H+Na"	23.996494
"722721"	571.649597	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+H+Na"	23.996494
"1475765"	198.548697	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H+Na"	23.996494
"1062934"	132.701556666667	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2H+Na"	25.00377
"1266796"	406.134386	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+CH3OH+H"	33.033486
"392551"	785.164958	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+K"	38.963158
"754200"	1158.265858	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+K"	38.963158
"1555355"	412.064058	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+K"	38.963158
"312533"	393.086117	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+H+K"	39.970434
"700214"	579.636567	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+H+K"	39.970434
"1455127"	206.535667	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H+K"	39.970434
"240449"	788.235626	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+ACN+H"	42.033826
"1215344"	415.134726	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+ACN+H"	42.033826
"1202508"	208.071001	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+ACN+2H"	43.041102
"195378"	791.17296	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+2Na-H"	44.97116
"639314"	1164.27386	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+2Na-H"	44.97116
"1145373"	418.07206	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2Na-H"	44.97116
"185016"	396.090118	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+2Na"	45.978436
"623482"	582.640568	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+2Na"	45.978436
"1129176"	209.539668	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2Na"	45.978436
"1409419"	140.028870666667	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H+2Na"	46.985712
"1436070"	420.113646	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H+HCOOH"	47.012746
"224672"	401.12314	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+3H2O+2H"	56.04448
"1512005"	434.16569	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+IsoProp+H"	61.06479
"423119"	404.077088	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+Na+K"	61.952376
"782900"	590.627538	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+Na+K"	61.952376
"1677408"	217.526638	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Na+K"	61.952376
"265034"	810.217568	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+ACN+Na"	64.015768
"1237014"	437.116668	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+ACN+Na"	64.015768
"1726629"	437.140193	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+NH4+HCOOH"	64.039293
"1190889"	147.356184666667	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+3Na"	68.967654
"1662970"	442.095588	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Na+HCOOH"	68.994688
"163271"	823.12084	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+2K-H"	76.91904
"606110"	1196.22174	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+2K-H"	76.91904
"1090623"	450.01994	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2K-H"	76.91904
"150722"	412.064058	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"2M+2K"	77.926316
"589189"	598.614508	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"3M+2K"	77.926316
"1074793"	225.513608	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2K"	77.926316
"1102536"	452.034492	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2K+H"	78.933592
"1338920"	452.122107	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+DMSO+H"	79.021207
"1014012"	456.161276	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2ACN+H"	83.060376
"1537604"	457.154908	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+IsoProp+Na+H"	84.054008
"1004540"	228.584276	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+2ACN+2H"	84.067652
"1601717"	458.069528	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+K+HCOOH"	84.968628
"1427495"	488.101038	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+H+CF3COOH"	115.000138
"1161064"	249.097551	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+3ACN+2H"	125.094202
"1705146"	505.127585	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+NH4+CF3COOH"	132.026685
"1639703"	510.08298	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+Na+CF3COOH"	136.98208
"1573165"	526.05692	"C15768"	"(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-14-benzoxazin-3(4H)-one;DIMBOA glucoside"	"C15H19NO10"	"373.1009"	"M+K+CF3COOH"	152.95602
"809005"	165.0426	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M"	0
"979256"	146.02421	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-H2O-H"	-19.01839
"68590"	109.021124	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M-3H"	-3.021828
"509243"	164.035324	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M-3H"	-3.021828
"887048"	54.006924	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-3H"	-3.021828
"7809"	164.035324	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M-2H"	-2.014552
"447371"	246.556624	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M-2H"	-2.014552
"824080"	81.514024	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-2H"	-2.014552
"88450"	329.077924	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M-H"	-1.007276
"524730"	494.120524	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M-H"	-1.007276
"904719"	164.035324	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-H"	-1.007276
"59461"	346.104471	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M-2H+NH4"	16.019271
"501822"	511.147071	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M-2H+NH4"	16.019271
"877556"	181.061871	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-2H+NH4"	16.019271
"43269"	351.059866	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M-2H+Na"	20.974666
"485745"	516.102466	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M-2H+Na"	20.974666
"863308"	186.017266	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-2H+Na"	20.974666
"1633326"	186.017266	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Na-2H"	20.974666
"109981"	182.023663	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M-H+Cl"	33.962126
"545164"	264.544963	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M-H+Cl"	33.962126
"934306"	99.502363	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-H+Cl"	33.962126
"270675"	365.054602	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+Cl"	34.969402
"667473"	530.097202	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+Cl"	34.969402
"1280968"	200.012002	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Cl"	34.969402
"24620"	367.033806	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M-2H+K"	36.948606
"465271"	532.076406	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M-2H+K"	36.948606
"844173"	201.991206	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-2H+K"	36.948606
"1561100"	201.991206	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+K-2H"	36.948606
"955912"	210.040794	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-H+HCOOH"	44.998194
"374856"	375.083401	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+HCOOH-H"	44.998201
"359469"	389.099051	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+Hac-H"	59.013851
"1503925"	224.056451	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Hac-H"	59.013851
"967456"	232.022751	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-H+NaCOOH"	66.980151
"110650"	200.012002	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+2Cl"	69.938804
"550692"	282.533302	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+2Cl"	69.938804
"1022653"	117.490702	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2Cl"	69.938804
"1243326"	243.961485	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Br"	78.918885
"1307842"	246.017472	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Cl+HCOOH"	80.974872
"1323152"	267.999429	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Cl+NaCOOH"	102.956829
"912387"	278.028186	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M-H+CF3COOH"	112.985586
"1290551"	314.004864	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Cl+CF3COOH"	148.962264
"1372360"	130.029924	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H-2H2O"	-35.012676
"1385114"	148.0399	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H-H2O"	-17.0027
"290638"	331.092476	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+H"	1.007276
"681964"	496.135076	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+H"	1.007276
"1362690"	166.049876	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H"	1.007276
"141054"	166.049876	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+2H"	2.014552
"580699"	248.571176	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+2H"	2.014552
"1049414"	83.528576	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2H"	2.014552
"217679"	111.035676	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+3H"	3.021828
"659062"	166.049876	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+3H"	3.021828
"1175728"	56.021476	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+3H"	3.021828
"433898"	348.119023	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+NH4"	18.033823
"798541"	513.161623	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+NH4"	18.033823
"1692318"	183.076423	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+NH4"	18.033823
"339502"	174.5631495	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+H+NH4"	19.041099
"735205"	257.0844495	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+H+NH4"	19.041099
"1490121"	92.0418495	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H+NH4"	19.041099
"405526"	353.074418	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+Na"	22.989218
"767614"	518.117018	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+Na"	22.989218
"1614617"	188.031818	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Na"	22.989218
"328540"	177.040847	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+H+Na"	23.996494
"722055"	259.562147	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+H+Na"	23.996494
"1469800"	94.519547	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H+Na"	23.996494
"1061950"	63.34879	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2H+Na"	25.00377
"1267999"	198.076086	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+CH3OH+H"	33.033486
"390593"	369.048358	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+K"	38.963158
"752318"	534.090958	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+K"	38.963158
"1555102"	204.005758	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+K"	38.963158
"311184"	185.027817	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+H+K"	39.970434
"699229"	267.549117	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+H+K"	39.970434
"1454140"	102.506517	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H+K"	39.970434
"238369"	372.119026	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+ACN+H"	42.033826
"1214360"	207.076426	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+ACN+H"	42.033826
"1200430"	104.041851	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+ACN+2H"	43.041102
"195485"	375.05636	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+2Na-H"	44.97116
"639423"	540.09896	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+2Na-H"	44.97116
"1140743"	210.01376	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2Na-H"	44.97116
"182937"	188.031818	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+2Na"	45.978436
"626869"	270.553118	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+2Na"	45.978436
"1122726"	105.510518	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2Na"	45.978436
"1406245"	70.676104	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H+2Na"	46.985712
"1431438"	212.055346	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H+HCOOH"	47.012746
"222594"	193.06484	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+3H2O+2H"	56.04448
"1512844"	226.10739	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+IsoProp+H"	61.06479
"423109"	196.018788	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+Na+K"	61.952376
"782646"	278.540088	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+Na+K"	61.952376
"1678975"	113.497488	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Na+K"	61.952376
"266480"	394.100968	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+ACN+Na"	64.015768
"1238582"	229.058368	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+ACN+Na"	64.015768
"1726737"	229.081893	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+NH4+HCOOH"	64.039293
"1188811"	78.003418	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+3Na"	68.967654
"1662714"	234.037288	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Na+HCOOH"	68.994688
"164474"	407.00424	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+2K-H"	76.91904
"602940"	572.04684	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+2K-H"	76.91904
"1089639"	241.96164	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2K-H"	76.91904
"150831"	204.005758	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"2M+2K"	77.926316
"588206"	286.527058	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"3M+2K"	77.926316
"1075997"	121.484458	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2K"	77.926316
"1102645"	243.976192	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2K+H"	78.933592
"1339031"	244.063807	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+DMSO+H"	79.021207
"1014122"	248.102976	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2ACN+H"	83.060376
"1536621"	249.096608	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+IsoProp+Na+H"	84.054008
"1003799"	124.555126	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+2ACN+2H"	84.067652
"1600855"	250.011228	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+K+HCOOH"	84.968628
"1427605"	280.042738	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+H+CF3COOH"	115.000138
"1160079"	145.068401	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+3ACN+2H"	125.094202
"1705256"	297.069285	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+NH4+CF3COOH"	132.026685
"1638720"	302.02468	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+Na+CF3COOH"	136.98208
"1572546"	317.99862	"C15769"	"HBOA;2-Hydroxy-14-benzoxazin-3-one"	"C8H7NO3"	"165.0426"	"M+K+CF3COOH"	152.95602
"816916"	181.0375	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M"	0
"988113"	162.01911	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-H2O-H"	-19.01839
"70888"	119.684390666667	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M-3H"	-3.021828
"510448"	180.030224	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M-3H"	-3.021828
"894086"	59.3385573333333	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-3H"	-3.021828
"9013"	180.030224	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M-2H"	-2.014552
"454046"	270.548974	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M-2H"	-2.014552
"830754"	89.511474	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-2H"	-2.014552
"87465"	361.067724	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M-H"	-1.007276
"528120"	542.105224	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M-H"	-1.007276
"903734"	180.030224	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-H"	-1.007276
"62126"	378.094271	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M-2H+NH4"	16.019271
"500954"	559.131771	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M-2H+NH4"	16.019271
"879328"	197.056771	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-2H+NH4"	16.019271
"44471"	383.049666	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M-2H+Na"	20.974666
"485855"	564.087166	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M-2H+Na"	20.974666
"863948"	202.012166	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-2H+Na"	20.974666
"1633764"	202.012166	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Na-2H"	20.974666
"109607"	198.018563	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M-H+Cl"	33.962126
"547462"	288.537313	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M-H+Cl"	33.962126
"940978"	107.499813	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-H+Cl"	33.962126
"276253"	397.044402	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+Cl"	34.969402
"665396"	578.081902	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+Cl"	34.969402
"1282172"	216.006902	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Cl"	34.969402
"25823"	399.023606	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M-2H+K"	36.948606
"469392"	580.061106	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M-2H+K"	36.948606
"841001"	217.986106	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-2H+K"	36.948606
"1563396"	217.986106	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+K-2H"	36.948606
"958010"	226.035694	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-H+HCOOH"	44.998194
"374966"	407.073201	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+HCOOH-H"	44.998201
"359943"	421.088851	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+Hac-H"	59.013851
"1504035"	240.051351	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Hac-H"	59.013851
"965380"	248.017651	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-H+NaCOOH"	66.980151
"116473"	216.006902	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+2Cl"	69.938804
"550808"	306.525652	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+2Cl"	69.938804
"1023739"	125.488152	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2Cl"	69.938804
"1245503"	259.956385	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Br"	78.918885
"1306860"	262.012372	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Cl+HCOOH"	80.974872
"1327636"	283.994329	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Cl+NaCOOH"	102.956829
"917600"	294.023086	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M-H+CF3COOH"	112.985586
"1293215"	329.999764	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Cl+CF3COOH"	148.962264
"1372470"	146.024824	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H-2H2O"	-35.012676
"1387780"	164.0348	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H-H2O"	-17.0027
"294030"	363.082276	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+H"	1.007276
"688636"	544.119776	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+H"	1.007276
"1362800"	182.044776	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H"	1.007276
"141388"	182.044776	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+2H"	2.014552
"581274"	272.563526	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+2H"	2.014552
"1052322"	91.526026	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2H"	2.014552
"219746"	121.698942666667	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+3H"	3.021828
"659620"	182.044776	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+3H"	3.021828
"1176932"	61.3531093333333	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+3H"	3.021828
"435098"	380.108823	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+NH4"	18.033823
"798281"	561.146323	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+NH4"	18.033823
"1694978"	199.071323	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+NH4"	18.033823
"343256"	190.5580495	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+H+NH4"	19.041099
"736408"	281.0767995	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+H+NH4"	19.041099
"1491324"	100.0392995	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H+NH4"	19.041099
"408025"	385.064218	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+Na"	22.989218
"767726"	566.101718	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+Na"	22.989218
"1616552"	204.026718	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Na"	22.989218
"328776"	193.035747	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+H+Na"	23.996494
"722578"	283.554497	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+H+Na"	23.996494
"1475135"	102.516997	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H+Na"	23.996494
"1064246"	68.6804233333333	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2H+Na"	25.00377
"1271757"	214.070986	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+CH3OH+H"	33.033486
"390704"	401.038158	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+K"	38.963158
"750605"	582.075658	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+K"	38.963158
"1555174"	220.000658	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+K"	38.963158
"313118"	201.022717	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+H+K"	39.970434
"702255"	291.541467	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+H+K"	39.970434
"1457531"	110.503967	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H+K"	39.970434
"240667"	404.108826	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+ACN+H"	42.033826
"1222855"	223.071326	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+ACN+H"	42.033826
"1206738"	112.039301	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+ACN+2H"	43.041102
"199971"	407.04616	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+2Na-H"	44.97116
"640991"	588.08366	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+2Na-H"	44.97116
"1143769"	226.00866	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2Na-H"	44.97116
"185600"	204.026718	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+2Na"	45.978436
"627346"	294.545468	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+2Na"	45.978436
"1125022"	113.507968	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2Na"	45.978436
"1405631"	76.0077373333333	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H+2Na"	46.985712
"1434829"	228.050246	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H+HCOOH"	47.012746
"231453"	209.05974	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+3H2O+2H"	56.04448
"1515142"	242.10229	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+IsoProp+H"	61.06479
"419203"	212.013688	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+Na+K"	61.952376
"782390"	302.532438	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+Na+K"	61.952376
"1677625"	121.494938	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Na+K"	61.952376
"265985"	426.090768	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+ACN+Na"	64.015768
"1240149"	245.053268	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+ACN+Na"	64.015768
"1728356"	245.076793	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+NH4+HCOOH"	64.039293
"1191475"	83.3350513333333	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+3Na"	68.967654
"1661732"	250.032188	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Na+HCOOH"	68.994688
"162397"	438.99404	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+2K-H"	76.91904
"604143"	620.03154	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+2K-H"	76.91904
"1091936"	257.95654	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2K-H"	76.91904
"150941"	220.000658	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"2M+2K"	77.926316
"594148"	310.519408	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"3M+2K"	77.926316
"1076108"	129.481908	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2K"	77.926316
"1104940"	259.971092	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2K+H"	78.933592
"1339141"	260.058707	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+DMSO+H"	79.021207
"1014229"	264.097876	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2ACN+H"	83.060376
"1533451"	265.091508	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+IsoProp+Na+H"	84.054008
"1000993"	132.552576	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+2ACN+2H"	84.067652
"1593309"	266.006128	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+K+HCOOH"	84.968628
"1427717"	296.037638	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+H+CF3COOH"	115.000138
"1162014"	153.065851	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+3ACN+2H"	125.094202
"1704271"	313.064185	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+NH4+CF3COOH"	132.026685
"1638828"	318.01958	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+Na+CF3COOH"	136.98208
"1572291"	333.99352	"C15770"	"DIBOA;24-Dihydroxy-14-benzoxazin-3-one;24-Dihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO4"	"181.0375"	"M+K+CF3COOH"	152.95602
"809224"	197.0324	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M"	0
"979476"	178.01401	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-H2O-H"	-19.01839
"67717"	130.347657333333	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M-3H"	-3.021828
"507277"	196.025124	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M-3H"	-3.021828
"883987"	64.6701906666667	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-3H"	-3.021828
"4748"	196.025124	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M-2H"	-2.014552
"448684"	294.541324	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M-2H"	-2.014552
"826487"	97.508924	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-2H"	-2.014552
"92319"	393.057524	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M-H"	-1.007276
"528959"	590.089924	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M-H"	-1.007276
"903845"	196.025124	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-H"	-1.007276
"54939"	410.084071	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M-2H+NH4"	16.019271
"495595"	607.116471	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M-2H+NH4"	16.019271
"874856"	213.051671	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-2H+NH4"	16.019271
"43486"	415.039466	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M-2H+Na"	20.974666
"483046"	612.071866	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M-2H+Na"	20.974666
"860853"	218.007066	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-2H+Na"	20.974666
"1631115"	218.007066	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Na-2H"	20.974666
"104728"	214.013463	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M-H+Cl"	33.962126
"544290"	312.529663	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M-H+Cl"	33.962126
"936715"	115.497263	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-H+Cl"	33.962126
"274176"	429.034202	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+Cl"	34.969402
"668787"	626.066602	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+Cl"	34.969402
"1280095"	232.001802	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Cl"	34.969402
"24840"	431.013406	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M-2H+K"	36.948606
"463305"	628.045806	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M-2H+K"	36.948606
"836738"	233.981006	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-2H+K"	36.948606
"1559132"	233.981006	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+K-2H"	36.948606
"956133"	242.030594	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-H+HCOOH"	44.998194
"372887"	439.063001	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+HCOOH-H"	44.998201
"358595"	453.078651	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+Hac-H"	59.013851
"1502322"	256.046251	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Hac-H"	59.013851
"965490"	264.012551	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-H+NaCOOH"	66.980151
"115490"	232.001802	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+2Cl"	69.938804
"550676"	330.518002	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+2Cl"	69.938804
"1022756"	133.485602	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2Cl"	69.938804
"1246707"	275.951285	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Br"	78.918885
"1306970"	278.007272	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Cl+HCOOH"	80.974872
"1326653"	299.989229	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Cl+NaCOOH"	102.956829
"917710"	310.017986	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M-H+CF3COOH"	112.985586
"1293325"	345.994664	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Cl+CF3COOH"	148.962264
"1369300"	162.019724	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H-2H2O"	-35.012676
"1386797"	180.0297	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H-H2O"	-17.0027
"291953"	395.072076	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+H"	1.007276
"685466"	592.104476	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+H"	1.007276
"1361817"	198.039676	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H"	1.007276
"140790"	198.039676	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+2H"	2.014552
"579377"	296.555876	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+2H"	2.014552
"1050729"	99.523476	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2H"	2.014552
"218990"	132.362209333333	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+3H"	3.021828
"657825"	198.039676	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+3H"	3.021828
"1175220"	66.6847426666667	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+3H"	3.021828
"434114"	412.098623	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+NH4"	18.033823
"798027"	609.131023	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+NH4"	18.033823
"1691442"	215.066223	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+NH4"	18.033823
"339720"	206.5529495	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+H+NH4"	19.041099
"737369"	305.0691495	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+H+NH4"	19.041099
"1490340"	108.0367495	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H+NH4"	19.041099
"407207"	417.054018	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+Na"	22.989218
"768201"	614.086418	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+Na"	22.989218
"1616298"	220.021618	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Na"	22.989218
"328034"	209.030647	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+H+Na"	23.996494
"720583"	307.546847	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+H+Na"	23.996494
"1476583"	110.514447	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H+Na"	23.996494
"1063995"	74.0120566666667	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2H+Na"	25.00377
"1270411"	230.065886	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+CH3OH+H"	33.033486
"389721"	433.027958	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+K"	38.963158
"752539"	630.060358	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+K"	38.963158
"1554838"	235.995558	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+K"	38.963158
"312135"	217.017617	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+H+K"	39.970434
"704188"	315.533817	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+H+K"	39.970434
"1456548"	118.501417	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H+K"	39.970434
"240777"	436.098626	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+ACN+H"	42.033826
"1222237"	239.066226	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+ACN+H"	42.033826
"1206483"	120.036751	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+ACN+2H"	43.041102
"197530"	439.03596	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+2Na-H"	44.97116
"639275"	636.06836	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+2Na-H"	44.97116
"1143515"	242.00356	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2Na-H"	44.97116
"186440"	220.021618	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+2Na"	45.978436
"625636"	318.537818	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+2Na"	45.978436
"1128046"	121.505418	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2Na"	45.978436
"1403189"	81.3393706666667	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H+2Na"	46.985712
"1435666"	244.045146	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H+HCOOH"	47.012746
"230470"	225.05464	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+3H2O+2H"	56.04448
"1513065"	258.09719	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+IsoProp+H"	61.06479
"416033"	228.008588	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+Na+K"	61.952376
"777028"	326.524788	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+Na+K"	61.952376
"1674455"	129.492388	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Na+K"	61.952376
"266824"	458.080568	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+ACN+Na"	64.015768
"1239894"	261.048168	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+ACN+Na"	64.015768
"1728259"	261.071693	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+NH4+HCOOH"	64.039293
"1192314"	88.6666846666667	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+3Na"	68.967654
"1661843"	266.027088	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Na+HCOOH"	68.994688
"161415"	470.98384	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+2K-H"	76.91904
"602068"	668.01624	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+2K-H"	76.91904
"1092047"	273.95144	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2K-H"	76.91904
"152146"	235.995558	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"2M+2K"	77.926316
"596325"	334.511758	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"3M+2K"	77.926316
"1077313"	137.479358	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2K"	77.926316
"1103958"	275.965992	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2K+H"	78.933592
"1341435"	276.053607	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+DMSO+H"	79.021207
"1012152"	280.092776	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2ACN+H"	83.060376
"1534655"	281.086408	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+IsoProp+Na+H"	84.054008
"996728"	140.550026	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+2ACN+2H"	84.067652
"1595605"	282.001028	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+K+HCOOH"	84.968628
"1428191"	312.032538	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+H+CF3COOH"	115.000138
"1161028"	161.063301	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+3ACN+2H"	125.094202
"1705475"	329.059085	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+NH4+CF3COOH"	132.026685
"1638938"	334.01448	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+Na+CF3COOH"	136.98208
"1572158"	349.98842	"C15771"	"TRIBOA;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one"	"C8H7NO5"	"197.0324"	"M+K+CF3COOH"	152.95602
"809334"	343.0903	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M"	0
"979586"	324.07191	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-H2O-H"	-19.01839
"65640"	227.719590666667	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M-3H"	-3.021828
"507387"	342.083024	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M-3H"	-3.021828
"884097"	113.356157333333	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-3H"	-3.021828
"7045"	342.083024	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M-2H"	-2.014552
"444418"	513.628174	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M-2H"	-2.014552
"825503"	170.537874	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-2H"	-2.014552
"87681"	685.173324	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M-H"	-1.007276
"529069"	1028.263624	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M-H"	-1.007276
"900675"	342.083024	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-H"	-1.007276
"52862"	702.199871	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M-2H+NH4"	16.019271
"495705"	1045.290171	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M-2H+NH4"	16.019271
"877152"	359.109571	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-2H+NH4"	16.019271
"42138"	707.155266	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M-2H+Na"	20.974666
"483156"	1050.245566	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M-2H+Na"	20.974666
"863637"	364.064966	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-2H+Na"	20.974666
"1632926"	364.064966	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Na-2H"	20.974666
"109339"	360.071363	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M-H+Cl"	33.962126
"547318"	531.616513	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M-H+Cl"	33.962126
"939011"	188.526213	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-H+Cl"	33.962126
"272099"	721.150002	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+Cl"	34.969402
"668897"	1064.240302	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+Cl"	34.969402
"1279112"	378.059702	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Cl"	34.969402
"23856"	723.129206	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M-2H+K"	36.948606
"466694"	1066.219506	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M-2H+K"	36.948606
"845597"	380.038906	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-2H+K"	36.948606
"1566897"	380.038906	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+K-2H"	36.948606
"957701"	388.088494	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-H+HCOOH"	44.998194
"374456"	731.178801	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+HCOOH-H"	44.998201
"359433"	745.194451	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+Hac-H"	59.013851
"1503891"	402.104151	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Hac-H"	59.013851
"965600"	410.070451	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-H+NaCOOH"	66.980151
"116694"	378.059702	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+2Cl"	69.938804
"558440"	549.604852	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+2Cl"	69.938804
"1026146"	206.514552	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2Cl"	69.938804
"1251191"	422.009185	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Br"	78.918885
"1311454"	424.065172	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Cl+HCOOH"	80.974872
"1333323"	446.047129	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Cl+NaCOOH"	102.956829
"921101"	456.075886	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M-H+CF3COOH"	112.985586
"1296716"	492.052564	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Cl+CF3COOH"	148.962264
"1373784"	308.077624	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H-2H2O"	-35.012676
"1390187"	326.0876	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H-H2O"	-17.0027
"288781"	687.187876	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+H"	1.007276
"679378"	1030.278176	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+H"	1.007276
"1364114"	344.097576	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H"	1.007276
"140288"	344.097576	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+2H"	2.014552
"579485"	515.642726	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+2H"	2.014552
"1051928"	172.552426	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2H"	2.014552
"217640"	229.734142666667	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+3H"	3.021828
"657201"	344.097576	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+3H"	3.021828
"1170953"	115.370709333333	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+3H"	3.021828
"436412"	704.214423	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+NH4"	18.033823
"796317"	1047.304723	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+NH4"	18.033823
"1693739"	361.124123	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+NH4"	18.033823
"336913"	352.6108495	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+H+NH4"	19.041099
"730428"	524.1559995	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+H+NH4"	19.041099
"1488264"	181.0656995	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H+NH4"	19.041099
"406950"	709.169818	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+Na"	22.989218
"769038"	1052.260118	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+Na"	22.989218
"1617500"	366.079518	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Na"	22.989218
"329116"	355.088547	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+H+Na"	23.996494
"722269"	526.633697	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+H+Na"	23.996494
"1473411"	183.543397	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H+Na"	23.996494
"1065560"	122.698023333333	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2H+Na"	25.00377
"1272221"	376.123786	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+CH3OH+H"	33.033486
"389831"	725.143758	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+K"	38.963158
"753744"	1068.234058	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+K"	38.963158
"1554338"	382.053458	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+K"	38.963158
"311879"	363.075517	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+H+K"	39.970434
"704662"	534.620667	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+H+K"	39.970434
"1456658"	191.530367	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H+K"	39.970434
"243073"	728.214426	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+ACN+H"	42.033826
"1223440"	385.124126	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+ACN+H"	42.033826
"1205135"	193.065701	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+ACN+2H"	43.041102
"196911"	731.15176	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+2Na-H"	44.97116
"639385"	1074.24206	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+2Na-H"	44.97116
"1145083"	388.06146	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2Na-H"	44.97116
"187279"	366.079518	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+2Na"	45.978436
"625745"	537.624668	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+2Na"	45.978436
"1127062"	194.534368	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2Na"	45.978436
"1405484"	130.025337333333	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H+2Na"	46.985712
"1435776"	390.103046	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H+HCOOH"	47.012746
"231673"	371.11254	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+3H2O+2H"	56.04448
"1515361"	404.15509	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+IsoProp+H"	61.06479
"421611"	374.066488	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+Na+K"	61.952376
"773857"	545.611638	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+Na+K"	61.952376
"1677844"	202.521338	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Na+K"	61.952376
"266939"	750.196368	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+ACN+Na"	64.015768
"1239278"	407.106068	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+ACN+Na"	64.015768
"1728126"	407.129593	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+NH4+HCOOH"	64.039293
"1192787"	137.352651333333	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+3Na"	68.967654
"1664503"	412.084988	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Na+HCOOH"	68.994688
"161525"	763.09964	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+2K-H"	76.91904
"607282"	1106.18994	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+2K-H"	76.91904
"1096169"	420.00934	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2K-H"	76.91904
"155539"	382.053458	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"2M+2K"	77.926316
"597007"	553.598608	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"3M+2K"	77.926316
"1083137"	210.508308	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2K"	77.926316
"1102976"	422.023892	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2K+H"	78.933592
"1342641"	422.111507	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+DMSO+H"	79.021207
"1014086"	426.150676	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2ACN+H"	83.060376
"1536589"	427.144308	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+IsoProp+Na+H"	84.054008
"1000120"	213.578976	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+2ACN+2H"	84.067652
"1595716"	428.058928	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+K+HCOOH"	84.968628
"1426843"	458.090438	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+H+CF3COOH"	115.000138
"1160773"	234.092251	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+3ACN+2H"	125.094202
"1703398"	475.116985	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+NH4+CF3COOH"	132.026685
"1637226"	480.07238	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+Na+CF3COOH"	136.98208
"1571376"	496.04632	"C15772"	"DIBOA-glucoside;24-Dihydroxy-14-benzoxazin-3-one glucoside"	"C14H17NO9"	"343.0903"	"M+K+CF3COOH"	152.95602
"803977"	412.3705	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M"	0
"977509"	393.35211	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"72311"	273.906390666667	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"509687"	411.363224	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"884207"	136.449557333333	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"8249"	411.363224	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"454014"	617.548474	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"826710"	205.177974	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"87796"	823.733724	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"526262"	1236.104224	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"897504"	411.363224	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"54434"	840.760271	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"499098"	1253.130771	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"874711"	428.389771	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"42614"	845.715666	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"479987"	1258.086166	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"858889"	433.345166	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1629153"	433.345166	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"106046"	429.351563	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"545607"	635.536813	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"940217"	223.166313	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"280231"	859.710402	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"671561"	1272.080902	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1286516"	447.339902	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"29924"	861.689606	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"469730"	1274.060106	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"847168"	449.319106	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1569443"	449.319106	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"955870"	457.368694	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"375055"	869.739201	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"359180"	883.754851	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1505094"	471.384351	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"970449"	479.350651	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"120814"	447.339902	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"559644"	653.525152	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1025163"	241.154652	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1249115"	491.289385	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1314843"	493.345372	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1329060"	515.327329	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"923399"	525.356086	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1300107"	561.332764	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1372801"	377.357824	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1391392"	395.3678	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"286708"	825.748276	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"683503"	1238.118776	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1365685"	413.377776	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"139667"	413.377776	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"576677"	619.563026	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1048756"	207.192526	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"214469"	275.920942666667	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"656947"	413.377776	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1175438"	138.464109333333	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"437984"	842.774823	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"793142"	1255.145323	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1688376"	430.404323	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"340671"	421.8910495	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"731269"	628.0762995	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1491656"	215.7057995	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"406694"	847.730218	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"766594"	1260.100718	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1616880"	435.359718	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"327648"	424.368747	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"720794"	630.553997	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1465869"	218.183497	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1059112"	145.791423333333	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1265165"	445.403986	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"387024"	863.704158	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"752760"	1276.074658	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1554081"	451.333658	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"312714"	432.355717	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"705869"	638.540967	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1455674"	226.170467	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"249015"	866.774826	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1224643"	454.404326	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1207799"	227.705801	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"197021"	869.71216	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"640590"	1282.08266	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1142636"	457.34166	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"186659"	435.359718	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"626217"	641.544968	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1120248"	229.174468	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1401221"	153.118737333333	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1435528"	459.383246	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"226316"	440.39274	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1516566"	473.43529	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"421729"	443.346688	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"783456"	649.531938	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1677968"	237.161438	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"263758"	888.756768	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1238290"	476.386268	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1722807"	476.409793	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1182692"	160.446051333333	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1658051"	481.365188	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"162728"	901.66004	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"608850"	1314.03054	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1097372"	489.28954	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"152367"	451.333658	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"585363"	657.518908	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1072063"	245.148408	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1104179"	491.304092	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1339471"	491.391707	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1010188"	495.430876	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1530500"	496.424508	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"1000228"	248.219076	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1599470"	497.339128	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1427682"	527.370638	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1162655"	268.732351	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1706788"	544.397185	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1638064"	549.35258	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1579190"	565.32652	"C15776"	"4alpha-Methylfecosterol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"804088"	398.3549	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M"	0
"975431"	379.33651	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"65861"	264.562657333333	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"504694"	397.347624	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"882130"	131.777690666667	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"2892"	397.347624	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"455217"	596.525074	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"826820"	198.170174	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"85718"	795.702524	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"526372"	1194.057424	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"897978"	397.347624	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"55273"	812.729071	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"499937"	1211.083971	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"875914"	414.374171	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"43817"	817.684466	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"480097"	1216.039366	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"860093"	419.329566	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1628535"	419.329566	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"106521"	415.335963	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"545718"	614.513413	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"941544"	216.158513	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"281315"	831.679202	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"669118"	1230.034102	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1284803"	433.324302	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"29546"	833.658406	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"468015"	1232.013306	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"847883"	435.303506	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1570282"	435.303506	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"955007"	443.353094	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"373948"	841.708001	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"357099"	855.723651	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1505568"	457.368751	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"968007"	465.335051	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"120924"	433.324302	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"561941"	632.501752	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1030740"	234.146852	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1251412"	477.273785	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1316046"	479.329772	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1333543"	501.311729	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"925940"	511.340486	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1300216"	547.317164	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1374004"	363.342224	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1388220"	381.3522	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"291191"	797.717076	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"685799"	1196.071976	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1361056"	399.362176	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H"	1.007276
"139413"	399.362176	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"579702"	598.539626	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1044491"	200.184726	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"213486"	266.577209333333	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"653046"	399.362176	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1173359"	133.792242666667	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"435538"	814.743623	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"796533"	1213.098523	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1684842"	416.388723	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"338956"	407.8754495	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"733201"	607.0528995	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1492376"	208.6979995	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"406076"	819.699018	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"765977"	1218.053918	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1614074"	421.344118	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"326299"	410.353147	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"721997"	609.530597	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1467072"	211.175697	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1059224"	141.119556666667	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1264182"	431.388386	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"389322"	835.672958	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"749223"	1234.027858	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1552367"	437.318058	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+K"	38.963158
"311730"	418.340117	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"706750"	617.517567	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1456877"	219.162667	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"249125"	838.743626	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1221105"	440.388726	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1206082"	220.698001	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"198953"	841.68096	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"641795"	1240.03586	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1142746"	443.32606	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"186040"	421.344118	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"626328"	620.521568	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1122544"	222.166668	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1405339"	148.446870666667	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1435638"	445.367646	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"226427"	426.37714	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1515583"	459.41969	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"422568"	429.331088	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"785103"	628.508538	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1677349"	230.153638	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"263868"	860.725568	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1236577"	462.370668	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1727776"	462.394193	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1191551"	155.774184666667	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1658894"	467.349588	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"165755"	873.62884	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"610418"	1271.98374	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1097482"	475.27394	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"152477"	437.318058	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"585473"	636.495508	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1073266"	238.140608	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1103197"	477.288492	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1339581"	477.376107	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1010297"	481.415276	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1529516"	482.408908	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"1002161"	241.211276	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1600308"	483.323528	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1429452"	513.355038	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1162330"	261.724551	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1706898"	530.381585	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1638174"	535.33698	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1579300"	551.31092	"C15777"	"Episterol"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"801492"	396.3392	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M"	0
"974813"	377.32081	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H2O-H"	-19.01839
"65971"	263.218857333333	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-3H"	-3.021828
"503347"	395.331924	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-3H"	-3.021828
"881511"	131.105790666667	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-3H"	-3.021828
"6282"	395.331924	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H"	-2.014552
"455206"	593.501524	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H"	-2.014552
"830210"	197.162324	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H"	-2.014552
"89108"	791.671124	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-H"	-1.007276
"529762"	1188.010324	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-H"	-1.007276
"901005"	395.331924	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H"	-1.007276
"54290"	808.697671	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H+NH4"	16.019271
"500411"	1205.036871	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H+NH4"	16.019271
"874931"	412.358471	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H+NH4"	16.019271
"42834"	813.653066	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H+Na"	20.974666
"480207"	1209.992266	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H+Na"	20.974666
"860932"	417.313866	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H+Na"	20.974666
"1630467"	417.313866	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na-2H"	20.974666
"106266"	413.320263	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-H+Cl"	33.962126
"545828"	611.489863	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-H+Cl"	33.962126
"941287"	215.150663	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+Cl"	33.962126
"280817"	827.647802	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Cl"	34.969402
"668135"	1223.987002	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+Cl"	34.969402
"1284913"	431.308602	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl"	34.969402
"28928"	829.627006	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H+K"	36.948606
"468125"	1225.966206	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H+K"	36.948606
"847750"	433.287806	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H+K"	36.948606
"1569784"	433.287806	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K-2H"	36.948606
"957301"	441.337394	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+HCOOH"	44.998194
"374423"	837.676601	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+HCOOH-H"	44.998201
"359032"	851.692251	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Hac-H"	59.013851
"1506041"	455.353051	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Hac-H"	59.013851
"969210"	463.319351	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+NaCOOH"	66.980151
"120305"	431.308602	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2Cl"	69.938804
"559864"	629.478202	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2Cl"	69.938804
"1028663"	233.139002	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2Cl"	69.938804
"1251522"	475.258085	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Br"	78.918885
"1316156"	477.314072	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl+HCOOH"	80.974872
"1332560"	499.296029	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl+NaCOOH"	102.956829
"926174"	509.324786	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+CF3COOH"	112.985586
"1302881"	545.301464	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl+CF3COOH"	148.962264
"1378489"	361.326524	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H-2H2O"	-35.012676
"1388330"	379.3365	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H-H2O"	-17.0027
"291301"	793.685676	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H"	1.007276
"684816"	1190.024876	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H"	1.007276
"1361166"	397.346476	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H"	1.007276
"139158"	397.346476	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2H"	2.014552
"577989"	595.516076	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2H"	2.014552
"1042414"	199.176876	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2H"	2.014552
"213596"	265.233409333333	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+3H"	3.021828
"656437"	397.346476	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+3H"	3.021828
"1177117"	133.120342666667	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+3H"	3.021828
"432369"	810.712223	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+NH4"	18.033823
"795550"	1207.051423	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+NH4"	18.033823
"1691881"	414.373023	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+NH4"	18.033823
"340159"	405.8597495	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H+NH4"	19.041099
"733674"	604.0293495	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H+NH4"	19.041099
"1490057"	207.6901495	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+NH4"	19.041099
"405093"	815.667618	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Na"	22.989218
"766088"	1212.006818	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+Na"	22.989218
"1614185"	419.328418	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na"	22.989218
"324223"	408.337447	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H+Na"	23.996494
"718827"	606.507047	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H+Na"	23.996494
"1468273"	210.167847	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+Na"	23.996494
"1059334"	140.447656666667	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2H+Na"	25.00377
"1264292"	429.372686	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+CH3OH+H"	33.033486
"387244"	831.641558	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+K"	38.963158
"750426"	1227.980758	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+K"	38.963158
"1555522"	435.302358	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K"	38.963158
"313666"	416.324417	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H+K"	39.970434
"707017"	614.494017	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H+K"	39.970434
"1459175"	218.154817	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+K"	39.970434
"250941"	834.712226	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+ACN+H"	42.033826
"1224500"	438.373026	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+ACN+H"	42.033826
"1209356"	219.690151	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+ACN+2H"	43.041102
"200887"	837.64956	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2Na-H"	44.97116
"641902"	1233.98876	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2Na-H"	44.97116
"1142126"	441.31036	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2Na-H"	44.97116
"185783"	419.328418	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2Na"	45.978436
"626072"	617.498018	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2Na"	45.978436
"1121926"	221.158818	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2Na"	45.978436
"1403629"	147.774970666667	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+2Na"	46.985712
"1435748"	443.351946	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+HCOOH"	47.012746
"224350"	424.36144	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+3H2O+2H"	56.04448
"1513506"	457.40399	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+IsoProp+H"	61.06479
"423285"	427.315388	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Na+K"	61.952376
"785418"	625.484988	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+Na+K"	61.952376
"1678185"	229.145788	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na+K"	61.952376
"263246"	856.694168	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+ACN+Na"	64.015768
"1235957"	460.354968	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+ACN+Na"	64.015768
"1726551"	460.378493	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+NH4+HCOOH"	64.039293
"1192385"	155.102284666667	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+3Na"	68.967654
"1660461"	465.333888	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na+HCOOH"	68.994688
"169510"	869.59744	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2K-H"	76.91904
"609800"	1265.93664	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2K-H"	76.91904
"1098686"	473.25824	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2K-H"	76.91904
"152589"	435.302358	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2K"	77.926316
"585582"	633.471958	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2K"	77.926316
"1070338"	237.132758	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2K"	77.926316
"1102214"	475.272792	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2K+H"	78.933592
"1337504"	475.360407	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+DMSO+H"	79.021207
"1010407"	479.399576	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2ACN+H"	83.060376
"1529626"	480.393208	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+IsoProp+Na+H"	84.054008
"1003001"	240.203426	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2ACN+2H"	84.067652
"1601147"	481.307828	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K+HCOOH"	84.968628
"1429357"	511.339338	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+CF3COOH"	115.000138
"1162279"	260.716701	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+3ACN+2H"	125.094202
"1709195"	528.365885	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+NH4+CF3COOH"	132.026685
"1637556"	533.32128	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na+CF3COOH"	136.98208
"1579410"	549.29522	"C15778"	"5724(28)-Ergostatrienol;Ergosta-5724(28)-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K+CF3COOH"	152.95602
"802121"	396.3392	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M"	0
"976745"	377.32081	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-H2O-H"	-19.01839
"68267"	263.218857333333	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M-3H"	-3.021828
"503496"	395.331924	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M-3H"	-3.021828
"881257"	131.105790666667	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-3H"	-3.021828
"5299"	395.331924	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M-2H"	-2.014552
"455401"	593.501524	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M-2H"	-2.014552
"830199"	197.162324	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-2H"	-2.014552
"88854"	791.671124	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M-H"	-1.007276
"530965"	1188.010324	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M-H"	-1.007276
"901114"	395.331924	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-H"	-1.007276
"56587"	808.697671	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M-2H+NH4"	16.019271
"497241"	1205.036871	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M-2H+NH4"	16.019271
"871761"	412.358471	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-2H+NH4"	16.019271
"39662"	813.653066	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M-2H+Na"	20.974666
"480317"	1209.992266	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M-2H+Na"	20.974666
"858126"	417.313866	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-2H+Na"	20.974666
"1627661"	417.313866	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Na-2H"	20.974666
"104190"	413.320263	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M-H+Cl"	33.962126
"545937"	611.489863	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M-H+Cl"	33.962126
"941884"	215.150663	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-H+Cl"	33.962126
"281899"	827.647802	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+Cl"	34.969402
"670432"	1223.987002	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+Cl"	34.969402
"1285023"	431.308602	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Cl"	34.969402
"30132"	829.627006	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M-2H+K"	36.948606
"467143"	1225.966206	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M-2H+K"	36.948606
"847131"	433.287806	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-2H+K"	36.948606
"1569528"	433.287806	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+K-2H"	36.948606
"955224"	441.337394	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-H+HCOOH"	44.998194
"373440"	837.676601	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+HCOOH-H"	44.998201
"358778"	851.692251	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+Hac-H"	59.013851
"1503967"	455.353051	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Hac-H"	59.013851
"970779"	463.319351	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-H+NaCOOH"	66.980151
"122601"	431.308602	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+2Cl"	69.938804
"559974"	629.478202	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+2Cl"	69.938804
"1033875"	233.139002	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2Cl"	69.938804
"1254546"	475.258085	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Br"	78.918885
"1311893"	477.314072	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Cl+HCOOH"	80.974872
"1328296"	499.296029	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Cl+NaCOOH"	102.956829
"924822"	509.324786	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M-H+CF3COOH"	112.985586
"1300438"	545.301464	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Cl+CF3COOH"	148.962264
"1379692"	361.326524	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H-2H2O"	-35.012676
"1389534"	379.3365	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H-H2O"	-17.0027
"293597"	793.685676	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+H"	1.007276
"686019"	1190.024876	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+H"	1.007276
"1361276"	397.346476	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H"	1.007276
"137446"	397.346476	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+2H"	2.014552
"578099"	595.516076	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+2H"	2.014552
"1047990"	199.176876	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2H"	2.014552
"213706"	265.233409333333	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+3H"	3.021828
"658857"	397.346476	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+3H"	3.021828
"1172484"	133.120342666667	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+3H"	3.021828
"437580"	810.712223	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+NH4"	18.033823
"789826"	1207.051423	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+NH4"	18.033823
"1687616"	414.373023	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+NH4"	18.033823
"334434"	405.8597495	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+H+NH4"	19.041099
"733785"	604.0293495	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+H+NH4"	19.041099
"1488706"	207.6901495	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H+NH4"	19.041099
"404110"	815.667618	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+Na"	22.989218
"767291"	1212.006818	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+Na"	22.989218
"1615024"	419.328418	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Na"	22.989218
"324333"	408.337447	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+H+Na"	23.996494
"717844"	606.507047	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+H+Na"	23.996494
"1470570"	210.167847	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H+Na"	23.996494
"1059444"	140.447656666667	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2H+Na"	25.00377
"1263309"	429.372686	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+CH3OH+H"	33.033486
"388448"	831.641558	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+K"	38.963158
"748350"	1227.980758	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+K"	38.963158
"1552588"	435.302358	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+K"	38.963158
"312318"	416.324417	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+H+K"	39.970434
"706929"	614.494017	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+H+K"	39.970434
"1460627"	218.154817	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H+K"	39.970434
"247887"	834.712226	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+ACN+H"	42.033826
"1224491"	438.373026	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+ACN+H"	42.033826
"1208981"	219.690151	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+ACN+2H"	43.041102
"199537"	837.64956	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+2Na-H"	44.97116
"641647"	1233.98876	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+2Na-H"	44.97116
"1141143"	441.31036	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2Na-H"	44.97116
"185165"	419.328418	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+2Na"	45.978436
"625089"	617.498018	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+2Na"	45.978436
"1121671"	221.158818	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2Na"	45.978436
"1402645"	147.774970666667	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H+2Na"	46.985712
"1436951"	443.351946	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H+HCOOH"	47.012746
"224460"	424.36144	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+3H2O+2H"	56.04448
"1513616"	457.40399	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+IsoProp+H"	61.06479
"423398"	427.315388	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+Na+K"	61.952376
"783791"	625.484988	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+Na+K"	61.952376
"1677203"	229.145788	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Na+K"	61.952376
"265179"	856.694168	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+ACN+Na"	64.015768
"1236796"	460.354968	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+ACN+Na"	64.015768
"1727145"	460.378493	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+NH4+HCOOH"	64.039293
"1193591"	155.102284666667	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+3Na"	68.967654
"1659478"	465.333888	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Na+HCOOH"	68.994688
"164152"	869.59744	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+2K-H"	76.91904
"606994"	1265.93664	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+2K-H"	76.91904
"1098068"	473.25824	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2K-H"	76.91904
"152698"	435.302358	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"2M+2K"	77.926316
"584234"	633.471958	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"3M+2K"	77.926316
"1069597"	237.132758	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2K"	77.926316
"1102324"	475.272792	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2K+H"	78.933592
"1337614"	475.360407	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+DMSO+H"	79.021207
"1008329"	479.399576	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2ACN+H"	83.060376
"1525969"	480.393208	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+IsoProp+Na+H"	84.054008
"1004448"	240.203426	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+2ACN+2H"	84.067652
"1600526"	481.307828	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+K+HCOOH"	84.968628
"1428372"	511.339338	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+H+CF3COOH"	115.000138
"1161942"	260.716701	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+3ACN+2H"	125.094202
"1709305"	528.365885	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+NH4+CF3COOH"	132.026685
"1638395"	533.32128	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+Na+CF3COOH"	136.98208
"1579520"	549.29522	"C15780"	"5-Dehydroepisterol"	"C28H44O"	"396.3392"	"M+K+CF3COOH"	152.95602
"802594"	398.3549	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M"	0
"975761"	379.33651	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"68377"	264.562657333333	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"505022"	397.347624	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"883553"	131.777690666667	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"4315"	397.347624	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"455269"	596.525074	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"830430"	198.170174	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"89328"	795.702524	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"532898"	1194.057424	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"902317"	397.347624	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"59977"	812.729071	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"497351"	1211.083971	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"869684"	414.374171	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"37949"	817.684466	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"480427"	1216.039366	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"858235"	419.329566	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1625584"	419.329566	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"104299"	415.335963	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"542767"	614.513413	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"937376"	216.158513	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"279212"	831.679202	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"669449"	1230.034102	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1284041"	433.324302	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"29271"	833.658406	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"468346"	1232.013306	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"846147"	435.303506	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1570002"	435.303506	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"955334"	443.353094	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"374643"	841.708001	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"359254"	855.723651	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1504077"	457.368751	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"970890"	465.335051	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"121618"	433.324302	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"558991"	632.501752	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1035443"	234.146852	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1253927"	477.273785	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1308723"	479.329772	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1327313"	501.311729	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"923839"	511.340486	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1301641"	547.317164	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1380532"	363.342224	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1389644"	381.3522	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"294800"	797.717076	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"687222"	1196.071976	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1362479"	399.362176	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H"	1.007276
"138649"	399.362176	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"578209"	598.539626	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1049194"	200.184726	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"217096"	266.577209333333	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"655562"	399.362176	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1174783"	133.792242666667	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"435867"	814.743623	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"791759"	1213.098523	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1687726"	416.388723	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"334909"	407.8754495	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"733894"	607.0528995	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1490999"	208.6979995	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"405680"	819.699018	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"768009"	1218.053918	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1615136"	421.344118	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"324444"	410.353147	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"717954"	609.530597	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1468493"	211.175697	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1061741"	141.119556666667	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1264512"	431.388386	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"388194"	835.672958	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"746275"	1234.027858	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1550512"	437.318058	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+K"	38.963158
"310605"	418.340117	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"705821"	617.517567	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1460492"	219.162667	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"248727"	838.743626	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1224233"	440.388726	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1208240"	220.698001	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"200740"	841.68096	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"641395"	1240.03586	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1142711"	443.32606	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"185276"	421.344118	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"624106"	620.521568	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1119597"	222.166668	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1402757"	148.446870666667	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1438154"	445.367646	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"228943"	426.37714	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1513724"	459.41969	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"422530"	429.331088	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"784749"	628.508538	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1679501"	230.153638	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"264558"	860.725568	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1237270"	462.370668	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1727132"	462.394193	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1189689"	155.774184666667	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1657401"	467.349588	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"166450"	873.62884	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"609290"	1271.98374	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1096719"	475.27394	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"151714"	437.318058	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"583616"	636.495508	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1069588"	238.140608	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1103528"	477.288492	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1337723"	477.376107	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1006253"	481.415276	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1526565"	482.408908	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"1005287"	241.211276	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1600638"	483.323528	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1429455"	513.355038	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1162748"	261.724551	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1709415"	530.381585	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1638869"	535.33698	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1582910"	551.31092	"C15781"	"24-Methylenecholesterol"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"803435"	412.3705	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M"	0
"978060"	393.35211	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"67394"	273.906390666667	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"506957"	411.363224	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"888037"	136.449557333333	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"8799"	411.363224	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"454808"	617.548474	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"832000"	205.177974	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"94102"	823.733724	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"534214"	1236.104224	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"903520"	411.363224	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"60087"	840.760271	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"499648"	1253.130771	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"866878"	428.389771	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"40976"	845.715666	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"482725"	1258.086166	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"856161"	433.345166	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1628973"	433.345166	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"104409"	429.351563	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"546886"	635.536813	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"940039"	223.166313	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"280052"	859.710402	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"669559"	1272.080902	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1283787"	447.339902	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"27435"	861.689606	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"469185"	1274.060106	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"847717"	449.319106	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1569384"	449.319106	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"955444"	457.368694	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"374389"	869.739201	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"358634"	883.754851	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1504187"	471.384351	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"970272"	479.350651	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"119544"	447.339902	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"562381"	653.525152	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1036646"	241.154652	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1254037"	491.289385	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1312113"	493.345372	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1327423"	515.327329	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"922856"	525.356086	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1301387"	561.332764	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1377726"	377.357824	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1389754"	395.3678	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"291632"	825.748276	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"685146"	1238.118776	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1361496"	413.377776	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"137665"	413.377776	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"577225"	619.563026	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1047117"	207.192526	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"213925"	275.920942666667	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"653485"	413.377776	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1170883"	138.464109333333	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"430874"	842.774823	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"791505"	1255.145323	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1684555"	430.404323	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"333926"	421.8910495	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"730723"	628.0762995	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1491109"	215.7057995	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"405790"	847.730218	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"767511"	1260.100718	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1616582"	435.359718	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"327470"	424.368747	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"719157"	630.553997	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1472976"	218.183497	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1064039"	145.791423333333	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1265715"	445.403986	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"389033"	863.704158	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"748207"	1276.074658	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1551715"	451.333658	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"310351"	432.355717	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"704230"	638.540967	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1461210"	226.170467	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"247744"	866.774826	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1223980"	454.404326	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1208105"	227.705801	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"201214"	869.71216	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"641503"	1282.08266	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1141728"	457.34166	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"185750"	435.359718	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"622394"	641.544968	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1119707"	229.174468	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1401774"	153.118737333333	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1437171"	459.383246	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"225775"	440.39274	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1514929"	473.43529	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"423740"	443.346688	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"784860"	649.531938	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1679250"	237.161438	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"263943"	888.756768	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1236651"	476.386268	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1722986"	476.409793	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1189435"	160.446051333333	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1658603"	481.365188	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"168748"	901.66004	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"607214"	1314.03054	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1097923"	489.28954	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"151824"	451.333658	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"583728"	657.518908	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1070425"	245.148408	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1100719"	491.304092	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1336862"	491.391707	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1012926"	495.430876	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1526676"	496.424508	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"1005276"	248.219076	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1602087"	497.339128	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1429688"	527.370638	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1161675"	268.732351	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1712442"	544.397185	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1641895"	549.35258	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1583020"	565.32652	"C15782"	"delta7-Avenasterol;7-Dehydroavenasterol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"803545"	410.3549	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M"	0
"977077"	391.33651	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-H2O-H"	-19.01839
"64223"	272.562657333333	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M-3H"	-3.021828
"504880"	409.347624	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M-3H"	-3.021828
"882680"	135.777690666667	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-3H"	-3.021828
"3442"	409.347624	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M-2H"	-2.014552
"455323"	614.525074	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M-2H"	-2.014552
"831502"	204.170174	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-2H"	-2.014552
"92464"	819.702524	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M-H"	-1.007276
"530200"	1230.057424	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M-H"	-1.007276
"904724"	409.347624	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-H"	-1.007276
"48774"	836.729071	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M-2H+NH4"	16.019271
"497571"	1247.083971	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M-2H+NH4"	16.019271
"866988"	426.374171	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-2H+NH4"	16.019271
"43273"	841.684466	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M-2H+Na"	20.974666
"483929"	1252.039366	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M-2H+Na"	20.974666
"860642"	431.329566	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-2H+Na"	20.974666
"1631997"	431.329566	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Na-2H"	20.974666
"104519"	427.335963	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M-H+Cl"	33.962126
"548087"	632.513413	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M-H+Cl"	33.962126
"940872"	222.158513	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-H+Cl"	33.962126
"281500"	855.679202	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+Cl"	34.969402
"669669"	1266.034102	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+Cl"	34.969402
"1282074"	445.324302	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Cl"	34.969402
"26816"	857.658406	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M-2H+K"	36.948606
"465285"	1268.013306	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M-2H+K"	36.948606
"847098"	447.303506	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-2H+K"	36.948606
"1570348"	447.303506	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+K-2H"	36.948606
"954827"	455.353094	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-H+HCOOH"	44.998194
"375228"	865.708001	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+HCOOH-H"	44.998201
"358744"	879.723651	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+Hac-H"	59.013851
"1506481"	469.368751	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Hac-H"	59.013851
"971473"	477.335051	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-H+NaCOOH"	66.980151
"121840"	445.324302	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+2Cl"	69.938804
"563585"	650.501752	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+2Cl"	69.938804
"1036271"	240.146852	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2Cl"	69.938804
"1254147"	489.273785	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Br"	78.918885
"1312223"	491.329772	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Cl+HCOOH"	80.974872
"1324253"	513.311729	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Cl+NaCOOH"	102.956829
"920779"	523.340486	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M-H+CF3COOH"	112.985586
"1301861"	559.317164	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Cl+CF3COOH"	148.962264
"1378566"	375.342224	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H-2H2O"	-35.012676
"1389864"	393.3522	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H-H2O"	-17.0027
"295022"	821.717076	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+H"	1.007276
"688173"	1232.071976	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+H"	1.007276
"1360513"	411.362176	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H"	1.007276
"136682"	411.362176	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+2H"	2.014552
"576242"	616.539626	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+2H"	2.014552
"1045041"	206.184726	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2H"	2.014552
"214036"	274.577209333333	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+3H"	3.021828
"652502"	411.362176	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+3H"	3.021828
"1172086"	137.792242666667	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+3H"	3.021828
"432077"	838.743623	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+NH4"	18.033823
"791979"	1249.098523	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+NH4"	18.033823
"1684664"	428.388723	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+NH4"	18.033823
"332577"	419.8754495	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+H+NH4"	19.041099
"730833"	625.0528995	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+H+NH4"	19.041099
"1484660"	214.6979995	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H+NH4"	19.041099
"404442"	843.699018	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+Na"	22.989218
"768350"	1254.053918	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+Na"	22.989218
"1615720"	433.344118	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Na"	22.989218
"324665"	422.353147	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+H+Na"	23.996494
"719271"	627.530597	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+H+Na"	23.996494
"1470901"	217.175697	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H+Na"	23.996494
"1063056"	145.119556666667	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2H+Na"	25.00377
"1265826"	443.388386	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+CH3OH+H"	33.033486
"385498"	859.672958	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+K"	38.963158
"749412"	1270.027858	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+K"	38.963158
"1546359"	449.318058	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+K"	38.963158
"310826"	430.340117	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+H+K"	39.970434
"702518"	635.517567	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+H+K"	39.970434
"1459253"	225.162667	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H+K"	39.970434
"247125"	862.743626	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+ACN+H"	42.033826
"1223846"	452.388726	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+ACN+H"	42.033826
"1207000"	226.698001	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+ACN+2H"	43.041102
"197679"	865.68096	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+2Na-H"	44.97116
"639426"	1276.03586	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+2Na-H"	44.97116
"1140745"	455.32606	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2Na-H"	44.97116
"179663"	433.344118	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+2Na"	45.978436
"620317"	638.521568	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+2Na"	45.978436
"1117508"	228.166668	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2Na"	45.978436
"1401884"	152.446870666667	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H+2Na"	46.985712
"1436188"	457.367646	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H+HCOOH"	47.012746
"223698"	438.37714	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+3H2O+2H"	56.04448
"1512123"	471.41969	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+IsoProp+H"	61.06479
"423729"	441.331088	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+Na+K"	61.952376
"784359"	646.508538	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+Na+K"	61.952376
"1680938"	236.153638	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Na+K"	61.952376
"264417"	884.725568	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+ACN+Na"	64.015768
"1236760"	474.370668	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+ACN+Na"	64.015768
"1724189"	474.394193	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+NH4+HCOOH"	64.039293
"1189909"	159.774184666667	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+3Na"	68.967654
"1660902"	479.349588	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Na+HCOOH"	68.994688
"169951"	897.62884	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+2K-H"	76.91904
"608417"	1307.98374	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+2K-H"	76.91904
"1098397"	487.27394	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2K-H"	76.91904
"151934"	449.318058	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"2M+2K"	77.926316
"586026"	654.495508	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"3M+2K"	77.926316
"1071631"	244.140608	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2K"	77.926316
"1103746"	489.288492	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2K+H"	78.933592
"1336851"	489.376107	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+DMSO+H"	79.021207
"1015223"	493.415276	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2ACN+H"	83.060376
"1532253"	494.408908	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+IsoProp+Na+H"	84.054008
"1005387"	247.211276	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+2ACN+2H"	84.067652
"1600857"	495.323528	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+K+HCOOH"	84.968628
"1429433"	525.355038	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+H+CF3COOH"	115.000138
"1159717"	267.724551	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+3ACN+2H"	125.094202
"1707448"	542.381585	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+NH4+CF3COOH"	132.026685
"1642005"	547.33698	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+Na+CF3COOH"	136.98208
"1583130"	563.31092	"C15783"	"5-Dehydroavenasterol"	"C29H46O"	"410.3549"	"M+K+CF3COOH"	152.95602
"816536"	400.3705	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M"	0
"978282"	381.35211	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"66524"	265.906390666667	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"510459"	399.363224	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"891541"	132.449557333333	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"7928"	399.363224	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"455025"	599.548474	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"828577"	199.177974	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"84193"	799.733724	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"529218"	1200.104224	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"904835"	399.363224	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"58121"	816.760271	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"492577"	1217.130771	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"878521"	416.389771	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"45572"	821.715666	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"480757"	1222.086166	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"860753"	421.345166	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1632472"	421.345166	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"105723"	417.351563	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"547470"	617.536813	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"942664"	217.166313	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"282746"	835.710402	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"675251"	1236.080902	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1285101"	435.339902	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"26927"	837.689606	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"464301"	1238.060106	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"848240"	437.319106	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1569968"	437.319106	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"957932"	445.368694	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"372790"	845.739201	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"359345"	859.754851	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1506476"	459.384351	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"968670"	467.350651	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"115389"	435.339902	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"562605"	635.525152	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1035775"	235.154652	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1255352"	479.289385	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1318894"	481.345372	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1324727"	503.327329	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"920889"	513.356086	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1296504"	549.332764	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1374666"	365.357824	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1388881"	383.3678	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"297687"	801.748276	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"685370"	1202.118776	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1361718"	401.377776	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"136792"	401.377776	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"577448"	601.563026	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1052080"	201.192526	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"216337"	267.920942666667	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"656989"	401.377776	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1176816"	134.464109333333	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"438384"	818.774823	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"795006"	1219.145323	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1690243"	418.404323	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"338522"	409.8910495	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"736781"	610.0762995	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1488052"	209.7057995	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"405642"	823.730218	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"768344"	1224.100718	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1616563"	423.359718	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"326235"	412.368747	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"719748"	612.553997	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1475384"	212.183497	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1064260"	141.791423333333	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1269587"	433.403986	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"389622"	839.704158	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"752073"	1240.074658	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1553761"	439.333658	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"309844"	420.355717	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"707057"	620.540967	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1461228"	220.170467	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"250399"	842.774826	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1224321"	442.404326	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1209176"	221.705801	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"200346"	845.71216	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"641364"	1246.08266	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1140859"	445.34166	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"184147"	423.359718	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"619334"	623.544968	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1118469"	223.174468	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1404180"	149.118737333333	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1436298"	447.383246	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"228182"	428.39274	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1514057"	461.43529	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"423472"	431.346688	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"783862"	631.531938	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1679832"	231.161438	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"265618"	864.756768	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1238693"	464.386268	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1728154"	464.409793	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1193788"	156.446051333333	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1664293"	469.365188	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"168967"	877.66004	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"609621"	1278.03054	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1099119"	477.28954	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"156667"	439.333658	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"587230"	639.518908	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1077207"	239.148408	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1102762"	479.304092	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1344616"	479.391707	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1018615"	483.430876	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1535643"	484.424508	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"1005134"	242.219076	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1600967"	485.339128	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1426625"	515.370638	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1159101"	262.732351	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1704278"	532.397185	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1641022"	537.35258	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1583240"	553.32652	"C15784"	"Campest-4-en-3beta-ol;(24R)-Ergost-4-en-3beta-ol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"801368"	398.3549	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M"	0
"976200"	379.33651	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"63717"	264.562657333333	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"507289"	397.347624	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"888371"	131.777690666667	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"3665"	397.347624	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"451976"	596.525074	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"823215"	198.170174	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"88677"	795.702524	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"530423"	1194.057424	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"904945"	397.347624	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"57138"	812.729071	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"494510"	1211.083971	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"874500"	414.374171	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"36932"	817.684466	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"480867"	1216.039366	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"861955"	419.329566	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1631489"	419.329566	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"108019"	415.335963	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"546488"	614.513413	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"942429"	216.158513	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"281471"	831.679202	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"667703"	1230.034102	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1283388"	433.324302	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"19746"	833.658406	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"464411"	1232.013306	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"843308"	435.303506	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1566795"	435.303506	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"954680"	443.353094	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"368524"	841.708001	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"354593"	855.723651	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1501238"	457.368751	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"967684"	465.335051	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"119873"	433.324302	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"561620"	632.501752	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1026043"	234.146852	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1248900"	477.273785	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1312443"	479.329772	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1328846"	501.311729	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"920998"	511.340486	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1295520"	547.317164	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1371494"	363.342224	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1384616"	381.3522	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"294154"	797.717076	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"684387"	1196.071976	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1358547"	399.362176	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H"	1.007276
"130705"	399.362176	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"577556"	598.539626	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1048179"	200.184726	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"215351"	266.577209333333	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"656006"	399.362176	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1174131"	133.792242666667	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"435214"	814.743623	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"796209"	1213.098523	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1688166"	416.388723	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"339725"	407.8754495	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"734339"	607.0528995	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1491077"	208.6979995	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"402473"	819.699018	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"768817"	1218.053918	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1614849"	421.344118	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"324522"	410.353147	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"716213"	609.530597	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1473308"	211.175697	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1062182"	141.119556666667	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1262770"	431.388386	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"382439"	835.672958	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"745622"	1234.027858	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1549860"	437.318058	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+K"	38.963158
"304850"	418.340117	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"702374"	617.517567	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1456924"	219.162667	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"249535"	838.743626	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1221515"	440.388726	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1207220"	220.698001	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"198994"	841.68096	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"641110"	1240.03586	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1139873"	443.32606	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"176602"	421.344118	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"615436"	620.521568	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1116393"	222.166668	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1404290"	148.446870666667	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1434584"	445.367646	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"229385"	426.37714	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1514166"	459.41969	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"424232"	429.331088	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"784698"	628.508538	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1678849"	230.153638	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"264272"	860.725568	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1236980"	462.370668	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1724773"	462.394193	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1187943"	155.774184666667	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1665259"	467.349588	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"172731"	873.62884	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"612284"	1271.98374	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1099555"	475.27394	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"156946"	437.318058	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"590619"	636.495508	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1079507"	238.140608	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1105059"	477.288492	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1342539"	477.376107	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1020307"	481.415276	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1534660"	482.408908	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"1005570"	241.211276	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1602293"	483.323528	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1426735"	513.355038	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1160305"	261.724551	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1706575"	530.381585	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1641132"	535.33698	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1583350"	551.31092	"C15785"	"Campest-4-en-3-one;(24R)-Ergost-4-en-3-one"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"801728"	400.3705	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M"	0
"975581"	381.35211	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"65650"	265.906390666667	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"507399"	399.363224	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"888481"	132.449557333333	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"3775"	399.363224	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"453179"	599.548474	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"824418"	199.177974	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"90973"	799.733724	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"529439"	1200.104224	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"906148"	399.363224	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"55061"	816.760271	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"491704"	1217.130771	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"873517"	416.389771	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"37042"	821.715666	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"479884"	1222.086166	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"858784"	421.345166	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1629412"	421.345166	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"105941"	417.351563	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"547323"	617.536813	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"941200"	217.166313	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"281581"	835.710402	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"667813"	1236.080902	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1283498"	435.339902	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"22772"	837.689606	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"465615"	1238.060106	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"844877"	437.319106	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1567635"	437.319106	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"954426"	445.368694	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"368635"	845.739201	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"354703"	859.754851	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1502441"	459.384351	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"967796"	467.350651	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"117798"	435.339902	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"562458"	635.525152	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1031621"	235.154652	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1245730"	479.289385	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1309272"	481.345372	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1328956"	503.327329	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"917828"	513.356086	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1295630"	549.332764	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1371604"	365.357824	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1384726"	383.3678	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"296085"	801.748276	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"681217"	1202.118776	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1355377"	401.377776	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H"	1.007276
"131544"	401.377776	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"577666"	601.563026	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1045373"	201.192526	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"213274"	267.920942666667	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"657208"	401.377776	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1174240"	134.464109333333	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"435324"	818.774823	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"796319"	1219.145323	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1686088"	418.404323	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"335459"	409.8910495	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"735537"	610.0762995	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1484982"	209.7057995	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"405860"	823.730218	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"764672"	1224.100718	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1616419"	423.359718	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"326090"	412.368747	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"718511"	612.553997	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1474511"	212.183497	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1062292"	141.791423333333	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1266525"	433.403986	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"389475"	839.704158	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"750834"	1240.074658	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1553009"	439.333658	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+K"	38.963158
"311885"	420.355717	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"705036"	620.540967	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1459220"	220.170467	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"250376"	842.774826	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1221625"	442.404326	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1209275"	221.705801	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"199104"	845.71216	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"636478"	1246.08266	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1138890"	445.34166	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"175982"	423.359718	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"616275"	623.544968	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1118689"	223.174468	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1404400"	149.118737333333	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1436516"	447.383246	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"227308"	428.39274	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1514276"	461.43529	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"420898"	431.346688	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"780801"	631.531938	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1678959"	231.161438	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"263290"	864.756768	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1236362"	464.386268	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1724153"	464.409793	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1188782"	156.446051333333	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1665289"	469.365188	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"172795"	877.66004	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"612515"	1278.03054	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1099789"	477.28954	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"157071"	439.333658	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"596905"	639.518908	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1083995"	239.148408	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1105169"	479.304092	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1343742"	479.391707	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1019929"	483.430876	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1534771"	484.424508	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"1005594"	242.219076	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1601917"	485.339128	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1426480"	515.370638	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1160415"	262.732351	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1704498"	532.397185	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1641242"	537.35258	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1583460"	553.32652	"C15786"	"5alpha-Campestan-3-one;(24R)-5alpha-Ergostan-3-one"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"802162"	402.3862	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M"	0
"976422"	383.36781	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H2O-H"	-19.01839
"63937"	267.250190666667	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-3H"	-3.021828
"505320"	401.378924	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-3H"	-3.021828
"885311"	133.121457333333	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-3H"	-3.021828
"3885"	401.378924	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H"	-2.014552
"452195"	602.572024	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H"	-2.014552
"824528"	200.185824	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H"	-2.014552
"87803"	803.765124	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-H"	-1.007276
"527363"	1206.151324	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-H"	-1.007276
"907351"	401.378924	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H"	-1.007276
"51157"	820.791671	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H+NH4"	16.019271
"492173"	1223.177871	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H+NH4"	16.019271
"868882"	418.405471	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H+NH4"	16.019271
"36057"	825.747066	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H+Na"	20.974666
"478901"	1228.133266	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H+Na"	20.974666
"859990"	423.360866	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H+Na"	20.974666
"1631709"	423.360866	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na-2H"	20.974666
"105686"	419.367263	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-H+Cl"	33.962126
"547068"	620.560363	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-H+Cl"	33.962126
"940461"	218.174163	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+Cl"	33.962126
"280600"	839.741802	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Cl"	34.969402
"667923"	1242.128002	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+Cl"	34.969402
"1281422"	437.355602	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl"	34.969402
"22882"	841.721006	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H+K"	36.948606
"464632"	1244.107206	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H+K"	36.948606
"843529"	439.334806	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H+K"	36.948606
"1567016"	439.334806	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K-2H"	36.948606
"954172"	447.384394	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+HCOOH"	44.998194
"367651"	849.770601	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+HCOOH-H"	44.998201
"353718"	863.786251	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Hac-H"	59.013851
"1501457"	461.400051	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Hac-H"	59.013851
"965719"	469.366351	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+NaCOOH"	66.980151
"117178"	437.355602	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2Cl"	69.938804
"557467"	638.548702	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2Cl"	69.938804
"1028451"	236.162502	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2Cl"	69.938804
"1251307"	481.305085	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Br"	78.918885
"1315578"	483.361072	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl+HCOOH"	80.974872
"1325786"	505.343029	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl+NaCOOH"	102.956829
"914658"	515.371786	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+CF3COOH"	112.985586
"1292460"	551.348464	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl+CF3COOH"	148.962264
"1371714"	367.373524	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H-2H2O"	-35.012676
"1383863"	385.3835	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H-H2O"	-17.0027
"292914"	805.779676	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H"	1.007276
"685335"	1208.165876	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H"	1.007276
"1355487"	403.393476	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H"	1.007276
"129832"	403.393476	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2H"	2.014552
"574496"	604.586576	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2H"	2.014552
"1045483"	202.200376	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2H"	2.014552
"212291"	269.264742666667	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+3H"	3.021828
"652946"	403.393476	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+3H"	3.021828
"1172164"	135.136009333333	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+3H"	3.021828
"433247"	822.806223	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+NH4"	18.033823
"795335"	1225.192423	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+NH4"	18.033823
"1686198"	420.420023	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+NH4"	18.033823
"335569"	411.9067495	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H+NH4"	19.041099
"735647"	613.0998495	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H+NH4"	19.041099
"1483999"	210.7136495	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+NH4"	19.041099
"405606"	827.761618	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Na"	22.989218
"765875"	1230.147818	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+Na"	22.989218
"1617258"	425.375418	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na"	22.989218
"325107"	414.384447	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H+Na"	23.996494
"719715"	615.577547	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H+Na"	23.996494
"1473165"	213.191347	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+Na"	23.996494
"1063861"	142.463323333333	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2H+Na"	25.00377
"1267729"	435.419686	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+CH3OH+H"	33.033486
"389585"	843.735558	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+K"	38.963158
"749851"	1246.121758	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+K"	38.963158
"1551540"	441.349358	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K"	38.963158
"309445"	422.371417	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H+K"	39.970434
"704783"	623.564517	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H+K"	39.970434
"1457874"	221.178317	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+K"	39.970434
"247933"	846.806226	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+ACN+H"	42.033826
"1225260"	444.420026	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+ACN+H"	42.033826
"1208291"	222.713651	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+ACN+2H"	43.041102
"199214"	849.74356	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2Na-H"	44.97116
"634402"	1252.12976	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2Na-H"	44.97116
"1140093"	447.35736	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2Na-H"	44.97116
"176820"	425.375418	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2Na"	45.978436
"617478"	626.568518	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2Na"	45.978436
"1120985"	224.182318	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2Na"	45.978436
"1404510"	149.790637333333	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+2Na"	46.985712
"1438813"	449.398946	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+HCOOH"	47.012746
"226324"	430.40844	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+3H2O+2H"	56.04448
"1517666"	463.45099	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+IsoProp+H"	61.06479
"421005"	433.362388	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Na+K"	61.952376
"780545"	634.555488	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+Na+K"	61.952376
"1678340"	232.169288	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na+K"	61.952376
"263400"	868.788168	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+ACN+Na"	64.015768
"1236474"	466.401968	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+ACN+Na"	64.015768
"1723536"	466.425493	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+NH4+HCOOH"	64.039293
"1193756"	157.117951333333	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+3Na"	68.967654
"1660243"	471.380888	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na+HCOOH"	68.994688
"172456"	881.69144	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2K-H"	76.91904
"611895"	1284.07764	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2K-H"	76.91904
"1098594"	479.30524	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2K-H"	76.91904
"156796"	441.349358	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2K"	77.926316
"596559"	642.542458	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2K"	77.926316
"1083132"	240.156258	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2K"	77.926316
"1106373"	481.319792	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2K+H"	78.933592
"1344947"	481.407407	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+DMSO+H"	79.021207
"1020043"	485.446576	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2ACN+H"	83.060376
"1539870"	486.440208	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+IsoProp+Na+H"	84.054008
"1004736"	243.226926	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2ACN+2H"	84.067652
"1601297"	487.354828	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K+HCOOH"	84.968628
"1426955"	517.386338	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+CF3COOH"	115.000138
"1158337"	263.740201	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+3ACN+2H"	125.094202
"1706795"	534.412885	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+NH4+CF3COOH"	132.026685
"1642446"	539.36828	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na+CF3COOH"	136.98208
"1583570"	555.34222	"C15787"	"Campestanol;5alpha-Campestanol;(24R)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K+CF3COOH"	152.95602
"807377"	418.3811	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M"	0
"977629"	399.36271	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-H2O-H"	-19.01839
"73526"	277.913457333333	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M-3H"	-3.021828
"507619"	417.373824	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M-3H"	-3.021828
"885421"	138.453090666667	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-3H"	-3.021828
"14933"	417.373824	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M-2H"	-2.014552
"455464"	626.564374	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M-2H"	-2.014552
"830834"	208.183274	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-2H"	-2.014552
"92290"	835.754924	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M-H"	-1.007276
"529664"	1254.136024	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M-H"	-1.007276
"908557"	417.373824	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-H"	-1.007276
"55279"	852.781471	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M-2H+NH4"	16.019271
"494109"	1271.162571	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M-2H+NH4"	16.019271
"868630"	434.400371	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-2H+NH4"	16.019271
"35803"	857.736866	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M-2H+Na"	20.974666
"481198"	1276.117966	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M-2H+Na"	20.974666
"861195"	439.355766	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-2H+Na"	20.974666
"1633603"	439.355766	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Na-2H"	20.974666
"107254"	435.362163	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M-H+Cl"	33.962126
"546816"	644.552713	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M-H+Cl"	33.962126
"941183"	226.171613	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-H+Cl"	33.962126
"279622"	871.731602	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+Cl"	34.969402
"671316"	1290.112702	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+Cl"	34.969402
"1286272"	453.350502	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Cl"	34.969402
"28832"	873.710806	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M-2H+K"	36.948606
"466932"	1292.091906	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M-2H+K"	36.948606
"844372"	455.329706	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-2H+K"	36.948606
"1566036"	455.329706	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+K-2H"	36.948606
"952100"	463.379294	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-H+HCOOH"	44.998194
"366668"	881.760401	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+HCOOH-H"	44.998201
"352738"	895.776051	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+Hac-H"	59.013851
"1500841"	477.394951	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Hac-H"	59.013851
"970571"	485.361251	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-H+NaCOOH"	66.980151
"120205"	453.350502	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+2Cl"	69.938804
"556485"	662.541052	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+2Cl"	69.938804
"1025283"	244.159952	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2Cl"	69.938804
"1245955"	497.299985	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Br"	78.918885
"1309494"	499.355972	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Cl+HCOOH"	80.974872
"1330275"	521.337929	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Cl+NaCOOH"	102.956829
"921333"	531.366686	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M-H+CF3COOH"	112.985586
"1300228"	567.343364	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Cl+CF3COOH"	148.962264
"1378388"	383.368424	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H-2H2O"	-35.012676
"1390417"	401.3784	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H-H2O"	-17.0027
"293394"	837.769476	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+H"	1.007276
"685818"	1256.150576	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+H"	1.007276
"1360344"	419.388376	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H"	1.007276
"135052"	419.388376	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+2H"	2.014552
"575707"	628.578926	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+2H"	2.014552
"1046691"	210.197826	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2H"	2.014552
"215687"	279.928009333333	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+3H"	3.021828
"653060"	419.388376	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+3H"	3.021828
"1167906"	140.467642666667	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+3H"	3.021828
"428990"	854.796023	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+NH4"	18.033823
"792173"	1273.177123	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+NH4"	18.033823
"1687410"	436.414923	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+NH4"	18.033823
"338968"	427.9016495	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+H+NH4"	19.041099
"733577"	637.0921995	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+H+NH4"	19.041099
"1487396"	218.7110995	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H+NH4"	19.041099
"407174"	859.751418	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+Na"	22.989218
"767074"	1278.132518	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+Na"	22.989218
"1616273"	441.370318	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Na"	22.989218
"328131"	430.379347	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+H+Na"	23.996494
"720916"	639.569897	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+H+Na"	23.996494
"1471455"	221.188797	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H+Na"	23.996494
"1067706"	147.794956666667	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2H+Na"	25.00377
"1268569"	451.414586	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+CH3OH+H"	33.033486
"390424"	875.725358	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+K"	38.963158
"752878"	1294.106458	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+K"	38.963158
"1555223"	457.344258	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+K"	38.963158
"314185"	438.366317	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+H+K"	39.970434
"707050"	647.556867	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+H+K"	39.970434
"1460661"	229.175767	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H+K"	39.970434
"250478"	878.796026	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+ACN+H"	42.033826
"1225379"	460.414926	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+ACN+H"	42.033826
"1209503"	230.711101	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+ACN+2H"	43.041102
"203873"	881.73336	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+2Na-H"	44.97116
"642901"	1300.11446	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+2Na-H"	44.97116
"1144218"	463.35226	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2Na-H"	44.97116
"181311"	441.370318	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+2Na"	45.978436
"620872"	650.560868	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+2Na"	45.978436
"1129490"	232.179768	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2Na"	45.978436
"1413250"	155.122270666667	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H+2Na"	46.985712
"1440019"	465.393846	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H+HCOOH"	47.012746
"229716"	446.40334	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+3H2O+2H"	56.04448
"1515591"	479.44589	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+IsoProp+H"	61.06479
"417839"	449.357288	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+Na+K"	61.952376
"779561"	658.547838	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+Na+K"	61.952376
"1678088"	240.166738	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Na+K"	61.952376
"261688"	900.777968	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+ACN+Na"	64.015768
"1237314"	482.396868	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+ACN+Na"	64.015768
"1725835"	482.420393	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+NH4+HCOOH"	64.039293
"1192648"	162.449584666667	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+3Na"	68.967654
"1661446"	487.375788	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Na+HCOOH"	68.994688
"171352"	913.68124	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+2K-H"	76.91904
"610059"	1332.06234	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+2K-H"	76.91904
"1099683"	495.30014	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2K-H"	76.91904
"156948"	457.344258	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"2M+2K"	77.926316
"596794"	666.534808	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"3M+2K"	77.926316
"1079837"	248.153708	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2K"	77.926316
"1105392"	497.314692	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2K+H"	78.933592
"1347245"	497.402307	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+DMSO+H"	79.021207
"1019665"	501.441476	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2ACN+H"	83.060376
"1539726"	502.435108	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+IsoProp+Na+H"	84.054008
"1005523"	251.224376	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+2ACN+2H"	84.067652
"1599948"	503.349728	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+K+HCOOH"	84.968628
"1422691"	533.381238	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+H+CF3COOH"	115.000138
"1158446"	271.737651	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+3ACN+2H"	125.094202
"1706904"	550.407785	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+NH4+CF3COOH"	132.026685
"1639276"	555.36318	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+Na+CF3COOH"	136.98208
"1583680"	571.33712	"C15788"	"6alpha-Hydroxycampestanol"	"C28H50O2"	"418.3811"	"M+K+CF3COOH"	152.95602
"801583"	416.3654	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M"	0
"976640"	397.34701	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-H2O-H"	-19.01839
"63087"	276.569657333333	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M-3H"	-3.021828
"506630"	415.358124	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M-3H"	-3.021828
"885531"	137.781190666667	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-3H"	-3.021828
"4105"	415.358124	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M-2H"	-2.014552
"452415"	623.540824	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M-2H"	-2.014552
"821468"	207.175424	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-2H"	-2.014552
"90210"	831.723524	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M-H"	-1.007276
"525396"	1248.088924	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M-H"	-1.007276
"908666"	415.358124	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-H"	-1.007276
"52109"	848.750071	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M-2H+NH4"	16.019271
"492032"	1265.115471	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M-2H+NH4"	16.019271
"869468"	432.384671	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-2H+NH4"	16.019271
"34091"	853.705466	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M-2H+Na"	20.974666
"480214"	1270.070866	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M-2H+Na"	20.974666
"863900"	437.340066	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-2H+Na"	20.974666
"1633835"	437.340066	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Na-2H"	20.974666
"107364"	433.346463	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M-H+Cl"	33.962126
"548748"	641.529163	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M-H+Cl"	33.962126
"942306"	225.163763	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-H+Cl"	33.962126
"281434"	867.700202	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+Cl"	34.969402
"672519"	1284.065602	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+Cl"	34.969402
"1287113"	451.334802	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Cl"	34.969402
"27484"	869.679406	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M-2H+K"	36.948606
"468136"	1286.044806	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M-2H+K"	36.948606
"845941"	453.314006	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-2H+K"	36.948606
"1566147"	453.314006	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+K-2H"	36.948606
"955125"	461.363594	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-H+HCOOH"	44.998194
"370059"	877.729001	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+HCOOH-H"	44.998201
"358313"	891.744651	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+Hac-H"	59.013851
"1506053"	475.379251	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Hac-H"	59.013851
"971408"	483.345551	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-H+NaCOOH"	66.980151
"118128"	451.334802	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+2Cl"	69.938804
"557687"	659.517502	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+2Cl"	69.938804
"1029766"	243.152102	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2Cl"	69.938804
"1244969"	495.284285	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Br"	78.918885
"1311790"	497.340272	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Cl+HCOOH"	80.974872
"1326012"	519.322229	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Cl+NaCOOH"	102.956829
"917068"	529.350986	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M-H+CF3COOH"	112.985586
"1299245"	565.327664	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Cl+CF3COOH"	148.962264
"1377405"	381.352724	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H-2H2O"	-35.012676
"1391620"	399.3627	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H-H2O"	-17.0027
"291314"	833.738076	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+H"	1.007276
"685196"	1250.103476	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+H"	1.007276
"1357902"	417.372676	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H"	1.007276
"134797"	417.372676	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+2H"	2.014552
"573631"	625.555376	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+2H"	2.014552
"1047530"	209.189976	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2H"	2.014552
"208506"	278.584209333333	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+3H"	3.021828
"648796"	417.372676	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+3H"	3.021828
"1166191"	139.795742666667	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+3H"	3.021828
"425818"	850.764623	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+NH4"	18.033823
"789730"	1267.130023	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+NH4"	18.033823
"1686790"	434.399223	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+NH4"	18.033823
"334339"	425.8859495	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+H+NH4"	19.041099
"732594"	634.0686495	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+H+NH4"	19.041099
"1484226"	217.7032495	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H+NH4"	19.041099
"406556"	855.720018	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+Na"	22.989218
"766091"	1272.085418	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+Na"	22.989218
"1616016"	439.354618	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Na"	22.989218
"328237"	428.363647	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+H+Na"	23.996494
"721023"	636.546347	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+H+Na"	23.996494
"1474840"	220.180947	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H+Na"	23.996494
"1067002"	147.123056666667	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2H+Na"	25.00377
"1264306"	449.398886	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+CH3OH+H"	33.033486
"388347"	871.693958	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+K"	38.963158
"750435"	1288.059358	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+K"	38.963158
"1554678"	455.328558	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+K"	38.963158
"311855"	436.350617	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+H+K"	39.970434
"702454"	644.533317	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+H+K"	39.970434
"1459191"	228.167917	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H+K"	39.970434
"248157"	874.764626	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+ACN+H"	42.033826
"1224754"	458.399226	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+ACN+H"	42.033826
"1207662"	229.703251	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+ACN+2H"	43.041102
"202722"	877.70196	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+2Na-H"	44.97116
"642282"	1294.06736	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+2Na-H"	44.97116
"1141412"	461.33656	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2Na-H"	44.97116
"178141"	439.354618	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+2Na"	45.978436
"616607"	647.537318	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+2Na"	45.978436
"1130811"	231.171918	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2Na"	45.978436
"1411293"	154.450370666667	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H+2Na"	46.985712
"1440129"	463.378146	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H+HCOOH"	47.012746
"229826"	444.38764	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+3H2O+2H"	56.04448
"1514608"	477.43019	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+IsoProp+H"	61.06479
"417218"	447.341588	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+Na+K"	61.952376
"780763"	655.524288	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+Na+K"	61.952376
"1676010"	239.158888	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Na+K"	61.952376
"262162"	896.746568	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+ACN+Na"	64.015768
"1236697"	480.381168	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+ACN+Na"	64.015768
"1724853"	480.404693	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+NH4+HCOOH"	64.039293
"1190208"	161.777684666667	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+3Na"	68.967654
"1659369"	485.360088	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Na+HCOOH"	68.994688
"168422"	909.64984	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+2K-H"	76.91904
"607983"	1326.01524	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+2K-H"	76.91904
"1099062"	493.28444	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2K-H"	76.91904
"155752"	455.328558	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"2M+2K"	77.926316
"596862"	663.511258	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"3M+2K"	77.926316
"1075571"	247.145858	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2K"	77.926316
"1107687"	495.298992	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2K+H"	78.933592
"1344074"	495.386607	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+DMSO+H"	79.021207
"1018071"	499.425776	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2ACN+H"	83.060376
"1538384"	500.419408	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+IsoProp+Na+H"	84.054008
"1002642"	250.216526	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+2ACN+2H"	84.067652
"1594956"	501.334028	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+K+HCOOH"	84.968628
"1421706"	531.365538	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+H+CF3COOH"	115.000138
"1154183"	270.729801	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+3ACN+2H"	125.094202
"1701547"	548.392085	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+NH4+CF3COOH"	132.026685
"1635012"	553.34748	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+Na+CF3COOH"	136.98208
"1580510"	569.32142	"C15789"	"6-Oxocampestanol"	"C28H48O2"	"416.3654"	"M+K+CF3COOH"	152.95602
"807595"	432.3603	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M"	0
"976750"	413.34191	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-H2O-H"	-19.01839
"63534"	287.232924	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M-3H"	-3.021828
"506740"	431.353024	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M-3H"	-3.021828
"885641"	143.112824	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-3H"	-3.021828
"5309"	431.353024	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M-2H"	-2.014552
"454712"	647.533174	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M-2H"	-2.014552
"821578"	215.172874	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-2H"	-2.014552
"90320"	863.713324	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M-H"	-1.007276
"525506"	1296.073624	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M-H"	-1.007276
"908776"	431.353024	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-H"	-1.007276
"53313"	880.739871	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M-2H+NH4"	16.019271
"491048"	1313.100171	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M-2H+NH4"	16.019271
"869213"	448.379571	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-2H+NH4"	16.019271
"35293"	885.695266	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M-2H+Na"	20.974666
"480324"	1318.055566	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M-2H+Na"	20.974666
"863240"	453.334966	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-2H+Na"	20.974666
"1634092"	453.334966	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Na-2H"	20.974666
"108568"	449.341363	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M-H+Cl"	33.962126
"547035"	665.521513	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M-H+Cl"	33.962126
"941645"	233.161213	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-H+Cl"	33.962126
"280208"	899.690002	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+Cl"	34.969402
"673724"	1332.050302	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+Cl"	34.969402
"1286738"	467.329702	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Cl"	34.969402
"27594"	901.669206	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M-2H+K"	36.948606
"468246"	1334.029506	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M-2H+K"	36.948606
"847509"	469.308906	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-2H+K"	36.948606
"1570265"	469.308906	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+K-2H"	36.948606
"956329"	477.358494	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-H+HCOOH"	44.998194
"372356"	909.718801	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+HCOOH-H"	44.998201
"359519"	923.734451	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+Hac-H"	59.013851
"1506163"	491.374151	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Hac-H"	59.013851
"972611"	499.340451	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-H+NaCOOH"	66.980151
"123705"	467.329702	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+2Cl"	69.938804
"558890"	683.509852	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+2Cl"	69.938804
"1029876"	251.149552	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2Cl"	69.938804
"1245079"	511.279185	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Br"	78.918885
"1312993"	513.335172	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Cl+HCOOH"	80.974872
"1326122"	535.317129	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Cl+NaCOOH"	102.956829
"917542"	545.345886	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M-H+CF3COOH"	112.985586
"1298262"	581.322564	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Cl+CF3COOH"	148.962264
"1377515"	397.347624	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H-2H2O"	-35.012676
"1391730"	415.3576	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H-H2O"	-17.0027
"291423"	865.727876	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+H"	1.007276
"685307"	1298.088176	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+H"	1.007276
"1361291"	433.367576	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H"	1.007276
"134907"	433.367576	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+2H"	2.014552
"573739"	649.547726	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+2H"	2.014552
"1044724"	217.187426	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2H"	2.014552
"208616"	289.247476	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+3H"	3.021828
"648906"	433.367576	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+3H"	3.021828
"1165937"	145.127376	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+3H"	3.021828
"425929"	882.754423	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+NH4"	18.033823
"790205"	1315.114723	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+NH4"	18.033823
"1686536"	450.394123	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+NH4"	18.033823
"337001"	441.8808495	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+H+NH4"	19.041099
"732704"	658.0609995	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+H+NH4"	19.041099
"1482150"	225.7006995	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H+NH4"	19.041099
"406301"	887.709818	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+Na"	22.989218
"765108"	1320.070118	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+Na"	22.989218
"1616126"	455.349518	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Na"	22.989218
"327254"	444.358547	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+H+Na"	23.996494
"720040"	660.538697	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+H+Na"	23.996494
"1473493"	228.178397	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H+Na"	23.996494
"1067111"	152.45469	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2H+Na"	25.00377
"1264416"	465.393786	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+CH3OH+H"	33.033486
"388457"	903.683758	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+K"	38.963158
"750545"	1336.044058	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+K"	38.963158
"1554787"	471.323458	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+K"	38.963158
"314073"	452.345517	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+H+K"	39.970434
"705115"	668.525667	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+H+K"	39.970434
"1459301"	236.165367	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H+K"	39.970434
"248631"	906.754426	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+ACN+H"	42.033826
"1225436"	474.394126	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+ACN+H"	42.033826
"1208139"	237.700701	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+ACN+2H"	43.041102
"200280"	909.69176	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+2Na-H"	44.97116
"641296"	1342.05206	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+2Na-H"	44.97116
"1141522"	477.33146	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2Na-H"	44.97116
"178251"	455.349518	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+2Na"	45.978436
"619997"	671.529668	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+2Na"	45.978436
"1128976"	239.169368	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2Na"	45.978436
"1407028"	159.782004	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H+2Na"	46.985712
"1440239"	479.373046	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H+HCOOH"	47.012746
"227747"	460.38254	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+3H2O+2H"	56.04448
"1514718"	493.42509	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+IsoProp+H"	61.06479
"415501"	463.336488	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+Na+K"	61.952376
"779414"	679.516638	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+Na+K"	61.952376
"1676850"	247.156338	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Na+K"	61.952376
"261543"	928.736368	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+ACN+Na"	64.015768
"1236442"	496.376068	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+ACN+Na"	64.015768
"1724962"	496.399593	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+NH4+HCOOH"	64.039293
"1187399"	167.109318	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+3Na"	68.967654
"1659479"	501.354988	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Na+HCOOH"	68.994688
"169623"	941.63964	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+2K-H"	76.91904
"608089"	1373.99994	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+2K-H"	76.91904
"1095885"	509.27934	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2K-H"	76.91904
"151607"	471.323458	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"2M+2K"	77.926316
"595545"	687.503608	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"3M+2K"	77.926316
"1084196"	255.143308	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2K"	77.926316
"1112173"	511.293892	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2K+H"	78.933592
"1345277"	511.381507	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+DMSO+H"	79.021207
"1018180"	515.420676	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2ACN+H"	83.060376
"1536306"	516.414308	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+IsoProp+Na+H"	84.054008
"1003480"	258.213976	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+2ACN+2H"	84.067652
"1596159"	517.328928	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+K+HCOOH"	84.968628
"1418536"	547.360438	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+H+CF3COOH"	115.000138
"1152106"	278.727251	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+3ACN+2H"	125.094202
"1700564"	564.386985	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+NH4+CF3COOH"	132.026685
"1634514"	569.34238	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+Na+CF3COOH"	136.98208
"1580620"	585.31632	"C15790"	"Cathasterone"	"C28H48O3"	"432.3603"	"M+K+CF3COOH"	152.95602
"802602"	448.3553	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M"	0
"975400"	429.33691	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-H2O-H"	-19.01839
"64737"	297.896257333333	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M-3H"	-3.021828
"506850"	447.348024	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M-3H"	-3.021828
"885751"	148.444490666667	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-3H"	-3.021828
"3232"	447.348024	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M-2H"	-2.014552
"454459"	671.525674	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M-2H"	-2.014552
"821688"	223.170374	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-2H"	-2.014552
"87146"	895.703324	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M-H"	-1.007276
"524522"	1344.058624	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M-H"	-1.007276
"907793"	447.348024	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-H"	-1.007276
"50871"	912.729871	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M-2H+NH4"	16.019271
"490066"	1361.085171	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M-2H+NH4"	16.019271
"868958"	464.374571	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-2H+NH4"	16.019271
"35403"	917.685266	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M-2H+Na"	20.974666
"476059"	1366.040566	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M-2H+Na"	20.974666
"850947"	469.329966	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-2H+Na"	20.974666
"1626680"	469.329966	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Na-2H"	20.974666
"102115"	465.336363	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M-H+Cl"	33.962126
"548726"	689.514013	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M-H+Cl"	33.962126
"941634"	241.158713	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-H+Cl"	33.962126
"281043"	931.680002	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+Cl"	34.969402
"672375"	1380.035302	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+Cl"	34.969402
"1286967"	483.324702	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Cl"	34.969402
"28433"	933.659206	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M-2H+K"	36.948606
"469449"	1382.014506	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M-2H+K"	36.948606
"846160"	485.303906	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-2H+K"	36.948606
"1568553"	485.303906	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+K-2H"	36.948606
"956440"	493.353494	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-H+HCOOH"	44.998194
"371374"	941.708801	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+HCOOH-H"	44.998201
"360115"	955.724451	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+Hac-H"	59.013851
"1507366"	507.369151	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Hac-H"	59.013851
"971627"	515.335451	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-H+NaCOOH"	66.980151
"121628"	483.324702	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+2Cl"	69.938804
"560094"	707.502352	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+2Cl"	69.938804
"1027799"	259.147052	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2Cl"	69.938804
"1243002"	527.274185	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Br"	78.918885
"1309823"	529.330172	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Cl+HCOOH"	80.974872
"1329512"	551.312129	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Cl+NaCOOH"	102.956829
"917288"	561.340886	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M-H+CF3COOH"	112.985586
"1299465"	597.317564	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Cl+CF3COOH"	148.962264
"1377625"	413.342624	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H-2H2O"	-35.012676
"1391840"	431.3526	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H-H2O"	-17.0027
"290440"	897.717876	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+H"	1.007276
"685418"	1346.073176	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+H"	1.007276
"1361036"	449.362576	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H"	1.007276
"135746"	449.362576	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+2H"	2.014552
"573849"	673.540226	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+2H"	2.014552
"1044834"	225.184926	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2H"	2.014552
"207269"	299.910809333333	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+3H"	3.021828
"647923"	449.362576	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+3H"	3.021828
"1166047"	150.459042666667	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+3H"	3.021828
"426403"	914.744423	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+NH4"	18.033823
"790315"	1363.099723	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+NH4"	18.033823
"1687739"	466.389123	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+NH4"	18.033823
"338204"	457.8758495	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+H+NH4"	19.041099
"731721"	682.0534995	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+H+NH4"	19.041099
"1482260"	233.6981995	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H+NH4"	19.041099
"402039"	919.699818	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+Na"	22.989218
"764125"	1368.055118	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+Na"	22.989218
"1611134"	471.344518	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Na"	22.989218
"324814"	460.353547	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+H+Na"	23.996494
"716871"	684.531197	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+H+Na"	23.996494
"1464491"	236.175897	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H+Na"	23.996494
"1061753"	157.786356666667	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2H+Na"	25.00377
"1265619"	481.388786	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+CH3OH+H"	33.033486
"384193"	935.673758	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+K"	38.963158
"747375"	1384.029058	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+K"	38.963158
"1552711"	487.318458	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+K"	38.963158
"311344"	468.340517	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+H+K"	39.970434
"701944"	692.518167	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+H+K"	39.970434
"1456493"	244.162867	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H+K"	39.970434
"248012"	938.744426	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+ACN+H"	42.033826
"1221449"	490.389126	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+ACN+H"	42.033826
"1206788"	245.698201	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+ACN+2H"	43.041102
"200026"	941.68176	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+2Na-H"	44.97116
"642133"	1390.03706	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+2Na-H"	44.97116
"1139444"	493.32646	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2Na-H"	44.97116
"178358"	471.344518	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+2Na"	45.978436
"621200"	695.522168	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+2Na"	45.978436
"1129451"	247.166868	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2Na"	45.978436
"1404952"	165.113670666667	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H+2Na"	46.985712
"1437430"	495.368046	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H+HCOOH"	47.012746
"231864"	476.37754	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+3H2O+2H"	56.04448
"1515921"	509.42009	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+IsoProp+H"	61.06479
"415611"	479.331488	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+Na+K"	61.952376
"777698"	703.509138	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+Na+K"	61.952376
"1677324"	255.153838	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Na+K"	61.952376
"258373"	960.726368	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+ACN+Na"	64.015768
"1237280"	512.371068	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+ACN+Na"	64.015768
"1723979"	512.394593	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+NH4+HCOOH"	64.039293
"1187509"	172.440984666667	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+3Na"	68.967654
"1659589"	517.349988	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Na+HCOOH"	68.994688
"170826"	973.62964	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+2K-H"	76.91904
"608199"	1421.98494	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+2K-H"	76.91904
"1097088"	525.27434	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2K-H"	76.91904
"152809"	487.318458	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"2M+2K"	77.926316
"596506"	711.496108	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"3M+2K"	77.926316
"1083329"	263.140808	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2K"	77.926316
"1112283"	527.288892	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2K+H"	78.933592
"1346482"	527.376507	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+DMSO+H"	79.021207
"1018290"	531.415676	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2ACN+H"	83.060376
"1538602"	532.409308	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+IsoProp+Na+H"	84.054008
"1004683"	266.211476	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+2ACN+2H"	84.067652
"1597362"	533.323928	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+K+HCOOH"	84.968628
"1418646"	563.355438	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+H+CF3COOH"	115.000138
"1152216"	286.724751	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+3ACN+2H"	125.094202
"1699581"	580.381985	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+NH4+CF3COOH"	132.026685
"1634543"	585.33738	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+Na+CF3COOH"	136.98208
"1580730"	601.31132	"C15791"	"Teasterone"	"C28H48O4"	"448.3553"	"M+K+CF3COOH"	152.95602
"801982"	446.3396	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M"	0
"975877"	427.32121	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-H2O-H"	-19.01839
"64848"	296.552457333333	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M-3H"	-3.021828
"505867"	445.332324	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M-3H"	-3.021828
"885861"	147.772590666667	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-3H"	-3.021828
"2248"	445.332324	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M-2H"	-2.014552
"446184"	668.502124	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M-2H"	-2.014552
"823986"	222.162524	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-2H"	-2.014552
"87256"	891.671924	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M-H"	-1.007276
"527913"	1338.011524	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M-H"	-1.007276
"904625"	445.332324	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-H"	-1.007276
"54626"	908.698471	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M-2H+NH4"	16.019271
"490540"	1355.038071	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M-2H+NH4"	16.019271
"866881"	462.358871	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-2H+NH4"	16.019271
"36606"	913.653866	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M-2H+Na"	20.974666
"474709"	1359.993466	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M-2H+Na"	20.974666
"855069"	467.314266	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-2H+Na"	20.974666
"1623510"	467.314266	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Na-2H"	20.974666
"103319"	463.320663	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M-H+Cl"	33.962126
"548108"	686.490463	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M-H+Cl"	33.962126
"941747"	240.150863	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-H+Cl"	33.962126
"279700"	927.648602	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+Cl"	34.969402
"671757"	1373.988202	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+Cl"	34.969402
"1285621"	481.309002	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Cl"	34.969402
"27451"	929.627806	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M-2H+K"	36.948606
"467739"	1375.967406	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M-2H+K"	36.948606
"846271"	483.288206	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-2H+K"	36.948606
"1569757"	483.288206	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+K-2H"	36.948606
"956187"	491.337794	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-H+HCOOH"	44.998194
"372577"	937.677401	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+HCOOH-H"	44.998201
"360347"	951.693051	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+Hac-H"	59.013851
"1507115"	505.353451	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Hac-H"	59.013851
"973197"	513.319751	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-H+NaCOOH"	66.980151
"123925"	481.309002	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+2Cl"	69.938804
"561297"	704.478802	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+2Cl"	69.938804
"1029002"	258.139202	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2Cl"	69.938804
"1247485"	525.258485	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Br"	78.918885
"1313213"	527.314472	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Cl+HCOOH"	80.974872
"1329622"	549.296429	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Cl+NaCOOH"	102.956829
"916305"	559.325186	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M-H+CF3COOH"	112.985586
"1298482"	595.301864	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Cl+CF3COOH"	148.962264
"1375549"	411.326924	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H-2H2O"	-35.012676
"1389764"	429.3369	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H-H2O"	-17.0027
"293829"	893.686476	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+H"	1.007276
"687349"	1340.026076	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+H"	1.007276
"1362602"	447.346876	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H"	1.007276
"136583"	447.346876	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+2H"	2.014552
"575052"	670.516676	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+2H"	2.014552
"1043853"	224.177076	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2H"	2.014552
"210659"	298.567009333333	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+3H"	3.021828
"649125"	447.346876	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+3H"	3.021828
"1167252"	149.787142666667	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+3H"	3.021828
"430524"	910.713023	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+NH4"	18.033823
"792613"	1357.052623	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+NH4"	18.033823
"1688944"	464.373423	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+NH4"	18.033823
"342326"	455.8601495	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+H+NH4"	19.041099
"735112"	679.0299495	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+H+NH4"	19.041099
"1482370"	232.6903495	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H+NH4"	19.041099
"401058"	915.668418	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+Na"	22.989218
"765695"	1362.008018	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+Na"	22.989218
"1614526"	469.328818	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Na"	22.989218
"324563"	458.337847	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+H+Na"	23.996494
"719170"	681.507647	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+H+Na"	23.996494
"1464601"	235.168047	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H+Na"	23.996494
"1061862"	157.114456666667	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2H+Na"	25.00377
"1267916"	479.373086	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+CH3OH+H"	33.033486
"383210"	931.642358	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+K"	38.963158
"749673"	1377.981958	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+K"	38.963158
"1550270"	485.302758	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+K"	38.963158
"310723"	466.324817	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+H+K"	39.970434
"701323"	689.494617	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+H+K"	39.970434
"1455874"	243.155017	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H+K"	39.970434
"247757"	934.713026	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+ACN+H"	42.033826
"1222652"	488.373426	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+ACN+H"	42.033826
"1208963"	244.690351	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+ACN+2H"	43.041102
"201953"	937.65036	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+2Na-H"	44.97116
"640420"	1383.98996	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+2Na-H"	44.97116
"1138459"	491.31076	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2Na-H"	44.97116
"178468"	469.328818	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+2Na"	45.978436
"619123"	692.498618	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+2Na"	45.978436
"1127736"	246.159018	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2Na"	45.978436
"1408343"	164.441770666667	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H+2Na"	46.985712
"1437178"	493.352346	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H+HCOOH"	47.012746
"231247"	474.36184	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+3H2O+2H"	56.04448
"1516031"	507.40439	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+IsoProp+H"	61.06479
"415720"	477.315788	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+Na+K"	61.952376
"775620"	700.485588	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+Na+K"	61.952376
"1674151"	254.145988	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Na+K"	61.952376
"259573"	956.694968	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+ACN+Na"	64.015768
"1238847"	510.355368	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+ACN+Na"	64.015768
"1722265"	510.378893	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+NH4+HCOOH"	64.039293
"1185432"	171.769084666667	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+3Na"	68.967654
"1659698"	515.334288	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Na+HCOOH"	68.994688
"163281"	969.59824	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+2K-H"	76.91904
"606122"	1415.93784	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+2K-H"	76.91904
"1097198"	523.25864	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2K-H"	76.91904
"154012"	485.302758	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"2M+2K"	77.926316
"594668"	708.472558	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"3M+2K"	77.926316
"1083561"	262.132958	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2K"	77.926316
"1111298"	525.273192	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2K+H"	78.933592
"1349747"	525.360807	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+DMSO+H"	79.021207
"1019492"	529.399976	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2ACN+H"	83.060376
"1537616"	530.393608	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+IsoProp+Na+H"	84.054008
"1000782"	265.203626	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+2ACN+2H"	84.067652
"1594192"	531.308228	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+K+HCOOH"	84.968628
"1418756"	561.339738	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+H+CF3COOH"	115.000138
"1149046"	285.716901	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+3ACN+2H"	125.094202
"1698598"	578.366285	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+NH4+CF3COOH"	132.026685
"1634488"	583.32168	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+Na+CF3COOH"	136.98208
"1580840"	599.29562	"C15792"	"3-Dehydroteasterone"	"C28H46O4"	"446.3396"	"M+K+CF3COOH"	152.95602
"805738"	448.3553	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M"	0
"977081"	429.33691	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-H2O-H"	-19.01839
"67510"	297.896257333333	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M-3H"	-3.021828
"505977"	447.348024	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M-3H"	-3.021828
"884878"	148.444490666667	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-3H"	-3.021828
"534"	447.348024	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M-2H"	-2.014552
"448481"	671.525674	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M-2H"	-2.014552
"826283"	223.170374	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-2H"	-2.014552
"85180"	895.703324	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M-H"	-1.007276
"519637"	1344.058624	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M-H"	-1.007276
"910204"	447.348024	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-H"	-1.007276
"56923"	912.729871	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M-2H+NH4"	16.019271
"491011"	1361.085171	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M-2H+NH4"	16.019271
"868814"	464.374571	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-2H+NH4"	16.019271
"35987"	917.685266	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M-2H+Na"	20.974666
"477374"	1366.040566	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M-2H+Na"	20.974666
"855178"	469.329966	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-2H+Na"	20.974666
"1631639"	469.329966	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Na-2H"	20.974666
"109472"	465.336363	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M-H+Cl"	33.962126
"542989"	689.514013	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M-H+Cl"	33.962126
"941124"	241.158713	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-H+Cl"	33.962126
"280775"	931.680002	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+Cl"	34.969402
"672235"	1380.035302	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+Cl"	34.969402
"1285368"	483.324702	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Cl"	34.969402
"26468"	933.659206	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M-2H+K"	36.948606
"469308"	1382.014506	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M-2H+K"	36.948606
"847474"	485.303906	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-2H+K"	36.948606
"1568774"	485.303906	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+K-2H"	36.948606
"958241"	493.353494	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-H+HCOOH"	44.998194
"372686"	941.708801	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+HCOOH-H"	44.998201
"359847"	955.724451	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+Hac-H"	59.013851
"1503212"	507.369151	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Hac-H"	59.013851
"969659"	515.335451	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-H+NaCOOH"	66.980151
"121848"	483.324702	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+2Cl"	69.938804
"559220"	707.502352	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+2Cl"	69.938804
"1030206"	259.147052	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2Cl"	69.938804
"1248691"	527.274185	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Br"	78.918885
"1312231"	529.330172	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Cl+HCOOH"	80.974872
"1331919"	551.312129	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Cl+NaCOOH"	102.956829
"920790"	561.340886	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M-H+CF3COOH"	112.985586
"1299689"	597.317564	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Cl+CF3COOH"	148.962264
"1376756"	413.342624	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H-2H2O"	-35.012676
"1390968"	431.3526	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H-H2O"	-17.0027
"294668"	897.717876	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+H"	1.007276
"685271"	1346.073176	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+H"	1.007276
"1359432"	449.362576	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H"	1.007276
"133411"	449.362576	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+2H"	2.014552
"574069"	673.540226	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+2H"	2.014552
"1045785"	225.184926	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2H"	2.014552
"211863"	299.910809333333	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+3H"	3.021828
"652516"	449.362576	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+3H"	3.021828
"1172830"	150.459042666667	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+3H"	3.021828
"430633"	914.744423	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+NH4"	18.033823
"793817"	1363.099723	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+NH4"	18.033823
"1689055"	466.389123	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+NH4"	18.033823
"338425"	457.8758495	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+H+NH4"	19.041099
"731942"	682.0534995	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+H+NH4"	19.041099
"1482481"	233.6981995	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H+NH4"	19.041099
"407723"	919.699818	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+Na"	22.989218
"766532"	1368.055118	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+Na"	22.989218
"1615729"	471.344518	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Na"	22.989218
"325766"	460.353547	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+H+Na"	23.996494
"719281"	684.531197	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+H+Na"	23.996494
"1469815"	236.175897	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H+Na"	23.996494
"1063066"	157.786356666667	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2H+Na"	25.00377
"1271306"	481.388786	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+CH3OH+H"	33.033486
"385507"	935.673758	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+K"	38.963158
"750876"	1384.029058	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+K"	38.963158
"1553660"	487.318458	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+K"	38.963158
"311928"	468.340517	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+H+K"	39.970434
"704349"	692.518167	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+H+K"	39.970434
"1458535"	244.162867	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H+K"	39.970434
"249325"	938.744426	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+ACN+H"	42.033826
"1224587"	490.389126	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+ACN+H"	42.033826
"1208100"	245.698201	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+ACN+2H"	43.041102
"203157"	941.68176	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+2Na-H"	44.97116
"637250"	1390.03706	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+2Na-H"	44.97116
"1136382"	493.32646	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2Na-H"	44.97116
"176757"	471.344518	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+2Na"	45.978436
"619235"	695.522168	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+2Na"	45.978436
"1128210"	247.166868	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2Na"	45.978436
"1405173"	165.113670666667	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H+2Na"	46.985712
"1437288"	495.368046	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H+HCOOH"	47.012746
"228077"	476.37754	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+3H2O+2H"	56.04448
"1517234"	509.42009	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+IsoProp+H"	61.06479
"412547"	479.331488	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+Na+K"	61.952376
"773543"	703.509138	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+Na+K"	61.952376
"1674258"	255.153838	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Na+K"	61.952376
"261868"	960.726368	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+ACN+Na"	64.015768
"1235675"	512.371068	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+ACN+Na"	64.015768
"1724561"	512.394593	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+NH4+HCOOH"	64.039293
"1187728"	172.440984666667	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+3Na"	68.967654
"1659808"	517.349988	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Na+HCOOH"	68.994688
"163389"	973.62964	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+2K-H"	76.91904
"606232"	1421.98494	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+2K-H"	76.91904
"1097306"	525.27434	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2K-H"	76.91904
"154122"	487.318458	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"2M+2K"	77.926316
"596605"	711.496108	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"3M+2K"	77.926316
"1083913"	263.140808	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2K"	77.926316
"1114690"	527.288892	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2K+H"	78.933592
"1349977"	527.376507	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+DMSO+H"	79.021207
"1021322"	531.415676	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2ACN+H"	83.060376
"1537725"	532.409308	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+IsoProp+Na+H"	84.054008
"1000892"	266.211476	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+2ACN+2H"	84.067652
"1591386"	533.323928	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+K+HCOOH"	84.968628
"1421055"	563.355438	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+H+CF3COOH"	115.000138
"1149156"	286.724751	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+3ACN+2H"	125.094202
"1697978"	580.381985	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+NH4+CF3COOH"	132.026685
"1634358"	585.33738	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+Na+CF3COOH"	136.98208
"1580950"	601.31132	"C15793"	"Typhasterol"	"C28H48O4"	"448.3553"	"M+K+CF3COOH"	152.95602
"804755"	464.3502	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M"	0
"981566"	445.33181	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-H2O-H"	-19.01839
"70901"	308.559524	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M-3H"	-3.021828
"508274"	463.342924	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M-3H"	-3.021828
"884988"	153.776124	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-3H"	-3.021828
"3560"	463.342924	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M-2H"	-2.014552
"446404"	695.518024	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M-2H"	-2.014552
"826393"	231.167824	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-2H"	-2.014552
"88573"	927.693124	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M-H"	-1.007276
"527039"	1392.043324	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M-H"	-1.007276
"910311"	463.342924	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-H"	-1.007276
"54848"	944.719671	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M-2H+NH4"	16.019271
"495502"	1409.069871	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M-2H+NH4"	16.019271
"870023"	480.369471	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-2H+NH4"	16.019271
"41203"	949.675066	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M-2H+Na"	20.974666
"478577"	1414.025266	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M-2H+Na"	20.974666
"859663"	485.324866	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-2H+Na"	20.974666
"1632721"	485.324866	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Na-2H"	20.974666
"108766"	481.331263	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M-H+Cl"	33.962126
"546379"	713.506363	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M-H+Cl"	33.962126
"937708"	249.156163	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-H+Cl"	33.962126
"280641"	963.669802	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+Cl"	34.969402
"673071"	1428.020002	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+Cl"	34.969402
"1282562"	499.319602	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Cl"	34.969402
"26943"	965.649006	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M-2H+K"	36.948606
"468689"	1429.999206	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M-2H+K"	36.948606
"843207"	501.298806	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-2H+K"	36.948606
"1565602"	501.298806	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+K-2H"	36.948606
"957137"	509.348394	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-H+HCOOH"	44.998194
"373526"	973.698601	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+HCOOH-H"	44.998201
"358138"	987.714251	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+Hac-H"	59.013851
"1503323"	523.364051	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Hac-H"	59.013851
"970863"	531.330351	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-H+NaCOOH"	66.980151
"119770"	499.319602	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+2Cl"	69.938804
"561517"	731.494702	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+2Cl"	69.938804
"1032503"	267.144502	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2Cl"	69.938804
"1253172"	543.269085	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Br"	78.918885
"1312341"	545.325072	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Cl+HCOOH"	80.974872
"1327656"	567.307029	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Cl+NaCOOH"	102.956829
"921991"	577.335786	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M-H+CF3COOH"	112.985586
"1300892"	613.312464	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Cl+CF3COOH"	148.962264
"1379052"	429.337524	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H-2H2O"	-35.012676
"1393264"	447.3475	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H-H2O"	-17.0027
"291136"	929.707676	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+H"	1.007276
"684289"	1394.057876	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+H"	1.007276
"1357721"	465.357476	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H"	1.007276
"133522"	465.357476	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+2H"	2.014552
"574181"	697.532576	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+2H"	2.014552
"1046259"	233.182376	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2H"	2.014552
"214890"	310.574076	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+3H"	3.021828
"654815"	465.357476	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+3H"	3.021828
"1172941"	155.790676	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+3H"	3.021828
"435119"	946.734223	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+NH4"	18.033823
"797208"	1411.084423	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+NH4"	18.033823
"1691352"	482.384023	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+NH4"	18.033823
"340725"	473.8707495	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+H+NH4"	19.041099
"735332"	706.0458495	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+H+NH4"	19.041099
"1484777"	241.6956495	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H+NH4"	19.041099
"407471"	951.689618	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+Na"	22.989218
"766642"	1416.039818	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+Na"	22.989218
"1617782"	487.339418	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Na"	22.989218
"328062"	476.348447	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+H+Na"	23.996494
"721823"	708.523547	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+H+Na"	23.996494
"1471019"	244.173347	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H+Na"	23.996494
"1060987"	163.11799	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2H+Na"	25.00377
"1272704"	497.383686	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+CH3OH+H"	33.033486
"392465"	967.663558	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+K"	38.963158
"753782"	1432.013758	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+K"	38.963158
"1554944"	503.313358	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+K"	38.963158
"310217"	484.335417	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+H+K"	39.970434
"702637"	716.510517	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+H+K"	39.970434
"1457551"	252.160317	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H+K"	39.970434
"250529"	970.734226	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+ACN+H"	42.033826
"1225182"	506.384026	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+ACN+H"	42.033826
"1204929"	253.695651	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+ACN+2H"	43.041102
"199988"	973.67156	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+2Na-H"	44.97116
"637361"	1438.02176	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+2Na-H"	44.97116
"1137587"	509.32136	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2Na-H"	44.97116
"180148"	487.339418	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+2Na"	45.978436
"624813"	719.514518	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+2Na"	45.978436
"1127227"	255.164318	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2Na"	45.978436
"1411844"	170.445304	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H+2Na"	46.985712
"1443960"	511.362946	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H+HCOOH"	47.012746
"229281"	492.37244	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+3H2O+2H"	56.04448
"1516251"	525.41499	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+IsoProp+H"	61.06479
"413384"	495.326388	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+Na+K"	61.952376
"773651"	727.501488	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+Na+K"	61.952376
"1674368"	263.151288	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Na+K"	61.952376
"260884"	992.716168	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+ACN+Na"	64.015768
"1234691"	528.365968	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+ACN+Na"	64.015768
"1724671"	528.389493	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+NH4+HCOOH"	64.039293
"1187840"	177.772618	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+3Na"	68.967654
"1663202"	533.344888	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Na+HCOOH"	68.994688
"165686"	1005.61944	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+2K-H"	76.91904
"605247"	1469.96964	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+2K-H"	76.91904
"1096322"	541.26924	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2K-H"	76.91904
"156056"	503.313358	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"2M+2K"	77.926316
"595498"	735.488458	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"3M+2K"	77.926316
"1082560"	271.138258	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2K"	77.926316
"1114432"	543.283792	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2K+H"	78.933592
"1350578"	543.371407	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+DMSO+H"	79.021207
"1018620"	547.410576	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2ACN+H"	83.060376
"1536746"	548.404208	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+IsoProp+Na+H"	84.054008
"1001003"	274.208926	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+2ACN+2H"	84.067652
"1594413"	549.318828	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+K+HCOOH"	84.968628
"1421165"	579.350338	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+H+CF3COOH"	115.000138
"1153640"	294.722201	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+3ACN+2H"	125.094202
"1699913"	596.376885	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+NH4+CF3COOH"	132.026685
"1635927"	601.33228	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+Na+CF3COOH"	136.98208
"1575591"	617.30622	"C15794"	"Castasterone"	"C28H48O5"	"464.3502"	"M+K+CF3COOH"	152.95602
"802191"	416.3654	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M"	0
"977302"	397.34701	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-H2O-H"	-19.01839
"63721"	276.569657333333	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M-3H"	-3.021828
"506197"	415.358124	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M-3H"	-3.021828
"886191"	137.781190666667	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-3H"	-3.021828
"2577"	415.358124	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M-2H"	-2.014552
"446514"	623.540824	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M-2H"	-2.014552
"825410"	207.175424	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-2H"	-2.014552
"88683"	831.723524	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M-H"	-1.007276
"527149"	1248.088924	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M-H"	-1.007276
"910422"	415.358124	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-H"	-1.007276
"54953"	848.750071	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M-2H+NH4"	16.019271
"495612"	1265.115471	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M-2H+NH4"	16.019271
"869040"	432.384671	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-2H+NH4"	16.019271
"39125"	853.705466	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M-2H+Na"	20.974666
"478687"	1270.070866	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M-2H+Na"	20.974666
"859774"	437.340066	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-2H+Na"	20.974666
"1633399"	437.340066	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Na-2H"	20.974666
"108997"	433.346463	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M-H+Cl"	33.962126
"544303"	641.529163	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M-H+Cl"	33.962126
"937818"	225.163763	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-H+Cl"	33.962126
"282702"	867.700202	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+Cl"	34.969402
"672087"	1284.065602	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+Cl"	34.969402
"1284129"	451.334802	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Cl"	34.969402
"24865"	869.679406	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M-2H+K"	36.948606
"466611"	1286.044806	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M-2H+K"	36.948606
"842224"	453.314006	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-2H+K"	36.948606
"1567899"	453.314006	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+K-2H"	36.948606
"955423"	461.363594	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-H+HCOOH"	44.998194
"368533"	877.729001	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+HCOOH-H"	44.998201
"356425"	891.744651	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+Hac-H"	59.013851
"1504526"	475.379251	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Hac-H"	59.013851
"970972"	483.345551	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-H+NaCOOH"	66.980151
"124254"	451.334802	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+2Cl"	69.938804
"560534"	659.517502	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+2Cl"	69.938804
"1034799"	243.152102	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2Cl"	69.938804
"1252190"	495.284285	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Br"	78.918885
"1309535"	497.340272	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Cl+HCOOH"	80.974872
"1328859"	519.322229	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Cl+NaCOOH"	102.956829
"918821"	529.350986	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M-H+CF3COOH"	112.985586
"1299907"	565.327664	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Cl+CF3COOH"	148.962264
"1375880"	381.352724	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H-2H2O"	-35.012676
"1392280"	399.3627	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H-H2O"	-17.0027
"294157"	833.738076	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+H"	1.007276
"684399"	1250.103476	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+H"	1.007276
"1359290"	417.372676	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H"	1.007276
"131448"	417.372676	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+2H"	2.014552
"573197"	625.555376	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+2H"	2.014552
"1045277"	209.189976	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2H"	2.014552
"214271"	278.584209333333	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+3H"	3.021828
"655656"	417.372676	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+3H"	3.021828
"1173779"	139.795742666667	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+3H"	3.021828
"430856"	850.764623	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+NH4"	18.033823
"795132"	1267.130023	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+NH4"	18.033823
"1691462"	434.399223	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+NH4"	18.033823
"338648"	425.8859495	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+H+NH4"	19.041099
"731069"	634.0686495	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+H+NH4"	19.041099
"1481607"	217.7032495	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H+NH4"	19.041099
"406850"	855.720018	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+Na"	22.989218
"766752"	1272.085418	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+Na"	22.989218
"1615948"	439.354618	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Na"	22.989218
"328172"	428.363647	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+H+Na"	23.996494
"721325"	636.546347	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+H+Na"	23.996494
"1471129"	220.180947	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H+Na"	23.996494
"1060004"	147.123056666667	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2H+Na"	25.00377
"1272260"	449.398886	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+CH3OH+H"	33.033486
"392287"	871.693958	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+K"	38.963158
"754016"	1288.059358	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+K"	38.963158
"1553149"	455.328558	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+K"	38.963158
"310327"	436.350617	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+H+K"	39.970434
"703841"	644.533317	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+H+K"	39.970434
"1458754"	228.167917	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H+K"	39.970434
"247360"	874.764626	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+ACN+H"	42.033826
"1224077"	458.399226	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+ACN+H"	42.033826
"1206132"	229.703251	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+ACN+2H"	43.041102
"199005"	877.70196	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+2Na-H"	44.97116
"634191"	1294.06736	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+2Na-H"	44.97116
"1136604"	461.33656	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2Na-H"	44.97116
"178801"	439.354618	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+2Na"	45.978436
"624923"	647.537318	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+2Na"	45.978436
"1125149"	231.171918	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2Na"	45.978436
"1410860"	154.450370666667	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H+2Na"	46.985712
"1441883"	463.378146	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H+HCOOH"	47.012746
"234132"	444.38764	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+3H2O+2H"	56.04448
"1517453"	477.43019	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+IsoProp+H"	61.06479
"411674"	447.341588	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+Na+K"	61.952376
"772669"	655.524288	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+Na+K"	61.952376
"1678851"	239.158888	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Na+K"	61.952376
"258080"	896.746568	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+ACN+Na"	64.015768
"1233705"	480.381168	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+ACN+Na"	64.015768
"1722594"	480.404693	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+NH4+HCOOH"	64.039293
"1187950"	161.777684666667	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+3Na"	68.967654
"1660030"	485.360088	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Na+HCOOH"	68.994688
"167981"	909.64984	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+2K-H"	76.91904
"605357"	1326.01524	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+2K-H"	76.91904
"1096432"	493.28444	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2K-H"	76.91904
"156287"	455.328558	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"2M+2K"	77.926316
"596580"	663.511258	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"3M+2K"	77.926316
"1082791"	247.145858	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2K"	77.926316
"1115031"	495.298992	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2K+H"	78.933592
"1349102"	495.386607	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+DMSO+H"	79.021207
"1017633"	499.425776	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2ACN+H"	83.060376
"1539164"	500.419408	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+IsoProp+Na+H"	84.054008
"1004393"	250.216526	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+2ACN+2H"	84.067652
"1596709"	501.334028	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+K+HCOOH"	84.968628
"1417995"	531.365538	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+H+CF3COOH"	115.000138
"1152656"	270.729801	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+3ACN+2H"	125.094202
"1700023"	548.392085	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+NH4+CF3COOH"	132.026685
"1635308"	553.34748	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+Na+CF3COOH"	136.98208
"1575701"	569.32142	"C15795"	"22alpha-Hydroxy-campesterol;(22S)-22-Hydroxy-campesterol"	"C28H48O2"	"416.3654"	"M+K+CF3COOH"	152.95602
"802788"	414.3498	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M"	0
"977413"	395.33141	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-H2O-H"	-19.01839
"67841"	275.225924	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M-3H"	-3.021828
"506308"	413.342524	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M-3H"	-3.021828
"880833"	137.109324	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-3H"	-3.021828
"1594"	413.342524	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M-2H"	-2.014552
"446624"	620.517424	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M-2H"	-2.014552
"821145"	206.167624	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-2H"	-2.014552
"87700"	827.692324	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M-H"	-1.007276
"528353"	1242.042124	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M-H"	-1.007276
"909439"	413.342524	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-H"	-1.007276
"57250"	844.718871	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M-2H+NH4"	16.019271
"496816"	1259.068671	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M-2H+NH4"	16.019271
"871337"	430.369071	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-2H+NH4"	16.019271
"39235"	849.674266	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M-2H+Na"	20.974666
"478797"	1264.024066	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M-2H+Na"	20.974666
"853321"	435.324466	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-2H+Na"	20.974666
"1631604"	435.324466	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Na-2H"	20.974666
"107040"	431.330863	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M-H+Cl"	33.962126
"544413"	638.505763	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M-H+Cl"	33.962126
"937928"	224.155963	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-H+Cl"	33.962126
"281476"	863.669002	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+Cl"	34.969402
"668920"	1278.018802	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+Cl"	34.969402
"1281324"	449.319202	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Cl"	34.969402
"23882"	865.648206	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M-2H+K"	36.948606
"463439"	1279.998006	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M-2H+K"	36.948606
"840146"	451.298406	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-2H+K"	36.948606
"1566915"	451.298406	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+K-2H"	36.948606
"953345"	459.347994	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-H+HCOOH"	44.998194
"370830"	873.697801	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+HCOOH-H"	44.998201
"355804"	887.713451	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+Hac-H"	59.013851
"1504635"	473.363651	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Hac-H"	59.013851
"968896"	481.329951	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-H+NaCOOH"	66.980151
"122177"	449.319202	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+2Cl"	69.938804
"559550"	656.494102	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+2Cl"	69.938804
"1034909"	242.144302	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2Cl"	69.938804
"1249019"	493.268685	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Br"	78.918885
"1313653"	495.324672	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Cl+HCOOH"	80.974872
"1331885"	517.306629	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Cl+NaCOOH"	102.956829
"918931"	527.335386	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M-H+CF3COOH"	112.985586
"1300746"	563.312064	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Cl+CF3COOH"	148.962264
"1374897"	379.337124	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H-2H2O"	-35.012676
"1392390"	397.3471	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H-H2O"	-17.0027
"292081"	829.706876	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+H"	1.007276
"683414"	1244.056676	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+H"	1.007276
"1358671"	415.357076	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H"	1.007276
"132649"	415.357076	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+2H"	2.014552
"572214"	622.531976	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+2H"	2.014552
"1042107"	208.182176	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2H"	2.014552
"212192"	277.240476	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+3H"	3.021828
"653942"	415.357076	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+3H"	3.021828
"1172432"	139.123876	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+3H"	3.021828
"436795"	846.733423	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+NH4"	18.033823
"794148"	1261.083223	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+NH4"	18.033823
"1690479"	432.383623	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+NH4"	18.033823
"339486"	423.8703495	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+H+NH4"	19.041099
"731178"	631.0452495	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+H+NH4"	19.041099
"1483902"	216.6954495	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H+NH4"	19.041099
"405866"	851.688818	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+Na"	22.989218
"764674"	1266.038618	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+Na"	22.989218
"1616787"	437.339018	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Na"	22.989218
"326457"	426.348047	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+H+Na"	23.996494
"719978"	633.522947	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+H+Na"	23.996494
"1470146"	219.173147	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H+Na"	23.996494
"1063394"	146.45119	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2H+Na"	25.00377
"1272366"	447.383286	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+CH3OH+H"	33.033486
"392281"	867.662758	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+K"	38.963158
"753682"	1282.012558	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+K"	38.963158
"1552895"	453.312958	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+K"	38.963158
"310435"	434.335017	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+H+K"	39.970434
"705045"	641.509917	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+H+K"	39.970434
"1458865"	227.160117	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H+K"	39.970434
"248927"	870.733426	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+ACN+H"	42.033826
"1223457"	456.383626	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+ACN+H"	42.033826
"1205149"	228.695451	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+ACN+2H"	43.041102
"195835"	873.67076	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+2Na-H"	44.97116
"635394"	1288.02056	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+2Na-H"	44.97116
"1136714"	459.32096	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2Na-H"	44.97116
"178911"	437.339018	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+2Na"	45.978436
"621753"	644.513918	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+2Na"	45.978436
"1121979"	230.164118	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2Na"	45.978436
"1405503"	153.778504	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H+2Na"	46.985712
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"230597"	442.37204	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+3H2O+2H"	56.04448
"1514279"	475.41459	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+IsoProp+H"	61.06479
"410690"	445.325988	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+Na+K"	61.952376
"774597"	652.500888	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+Na+K"	61.952376
"1672394"	238.151088	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Na+K"	61.952376
"258190"	892.715368	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+ACN+Na"	64.015768
"1233816"	478.365568	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+ACN+Na"	64.015768
"1721609"	478.389093	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+NH4+HCOOH"	64.039293
"1191338"	161.105818	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+3Na"	68.967654
"1657949"	483.344488	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Na+HCOOH"	68.994688
"165903"	905.61864	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+2K-H"	76.91904
"604373"	1319.96844	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+2K-H"	76.91904
"1096542"	491.26884	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2K-H"	76.91904
"153358"	453.312958	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"2M+2K"	77.926316
"595108"	660.487858	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"3M+2K"	77.926316
"1083269"	246.138058	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2K"	77.926316
"1115224"	493.283392	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2K+H"	78.933592
"1347026"	493.371007	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+DMSO+H"	79.021207
"1018837"	497.410176	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2ACN+H"	83.060376
"1536966"	498.403808	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+IsoProp+Na+H"	84.054008
"1003410"	249.208726	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+2ACN+2H"	84.067652
"1596819"	499.318428	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+K+HCOOH"	84.968628
"1421386"	529.349938	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+H+CF3COOH"	115.000138
"1151674"	269.722001	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+3ACN+2H"	125.094202
"1702320"	546.376485	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+NH4+CF3COOH"	132.026685
"1635055"	551.33188	"C15796"	"22alpha-Hydroxy-campest-4-en-3-one;(22S24R)-22-Hydroxy-ergost-4 en-3-one"	"C28H46O2"	"414.3498"	"M+Na+CF3COOH"	136.98208
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"805085"	416.3654	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M"	0
"977523"	397.34701	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-H2O-H"	-19.01839
"65765"	276.569657333333	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M-3H"	-3.021828
"507511"	415.358124	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M-3H"	-3.021828
"880943"	137.781190666667	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-3H"	-3.021828
"1704"	415.358124	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M-2H"	-2.014552
"446734"	623.540824	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M-2H"	-2.014552
"824535"	207.175424	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-2H"	-2.014552
"82705"	831.723524	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M-H"	-1.007276
"528463"	1248.088924	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M-H"	-1.007276
"909550"	415.358124	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-H"	-1.007276
"58454"	848.750071	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M-2H+NH4"	16.019271
"496926"	1265.115471	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M-2H+NH4"	16.019271
"874727"	432.384671	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-2H+NH4"	16.019271
"40438"	853.705466	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M-2H+Na"	20.974666
"482189"	1270.070866	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M-2H+Na"	20.974666
"853431"	437.340066	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-2H+Na"	20.974666
"1631714"	437.340066	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Na-2H"	20.974666
"107150"	433.346463	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M-H+Cl"	33.962126
"544523"	641.529163	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M-H+Cl"	33.962126
"938038"	225.163763	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-H+Cl"	33.962126
"281703"	867.700202	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+Cl"	34.969402
"669030"	1284.065602	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+Cl"	34.969402
"1283255"	451.334802	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Cl"	34.969402
"27998"	869.679406	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M-2H+K"	36.948606
"464642"	1286.044806	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M-2H+K"	36.948606
"838797"	453.314006	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-2H+K"	36.948606
"1564839"	453.314006	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+K-2H"	36.948606
"954549"	461.363594	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-H+HCOOH"	44.998194
"370941"	877.729001	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+HCOOH-H"	44.998201
"355917"	891.744651	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+Hac-H"	59.013851
"1503654"	475.379251	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Hac-H"	59.013851
"969007"	483.345551	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-H+NaCOOH"	66.980151
"121196"	451.334802	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+2Cl"	69.938804
"559661"	659.517502	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+2Cl"	69.938804
"1033926"	243.152102	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2Cl"	69.938804
"1251317"	495.284285	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Br"	78.918885
"1311577"	497.340272	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Cl+HCOOH"	80.974872
"1332360"	519.322229	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Cl+NaCOOH"	102.956829
"917948"	529.350986	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M-H+CF3COOH"	112.985586
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"1373912"	381.352724	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+H-2H2O"	-35.012676
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"656237"	417.372676	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+3H"	3.021828
"1173636"	139.795742666667	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+3H"	3.021828
"438724"	850.764623	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+NH4"	18.033823
"795349"	1267.130023	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+NH4"	18.033823
"1690589"	434.399223	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+NH4"	18.033823
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"732381"	634.0686495	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+H+NH4"	19.041099
"1484012"	217.7032495	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+H+NH4"	19.041099
"405612"	855.720018	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+Na"	22.989218
"765877"	1272.085418	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+Na"	22.989218
"1617871"	439.354618	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Na"	22.989218
"326567"	428.363647	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+H+Na"	23.996494
"722275"	636.546347	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+H+Na"	23.996494
"1472443"	220.180947	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+H+Na"	23.996494
"1066420"	147.123056666667	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2H+Na"	25.00377
"1271383"	449.398886	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+CH3OH+H"	33.033486
"392594"	871.693958	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+K"	38.963158
"752775"	1288.059358	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+K"	38.963158
"1552276"	455.328558	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+K"	38.963158
"309452"	436.350617	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+H+K"	39.970434
"704061"	644.533317	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+H+K"	39.970434
"1457882"	228.167917	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+H+K"	39.970434
"246487"	874.764626	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+ACN+H"	42.033826
"1223203"	458.399226	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+ACN+H"	42.033826
"1207085"	229.703251	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+ACN+2H"	43.041102
"199225"	877.70196	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+2Na-H"	44.97116
"636597"	1294.06736	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+2Na-H"	44.97116
"1142291"	461.33656	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2Na-H"	44.97116
"184490"	439.354618	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+2Na"	45.978436
"618582"	647.537318	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+2Na"	45.978436
"1123183"	231.171918	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2Na"	45.978436
"1406343"	154.450370666667	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+H+2Na"	46.985712
"1438459"	463.378146	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+H+HCOOH"	47.012746
"226331"	444.38764	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+3H2O+2H"	56.04448
"1515484"	477.43019	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+IsoProp+H"	61.06479
"410800"	447.341588	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+Na+K"	61.952376
"774347"	655.524288	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+Na+K"	61.952376
"1667761"	239.158888	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Na+K"	61.952376
"255019"	896.746568	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+ACN+Na"	64.015768
"1228454"	480.381168	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+ACN+Na"	64.015768
"1716248"	480.404693	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+NH4+HCOOH"	64.039293
"1187072"	161.777684666667	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+3Na"	68.967654
"1657328"	485.360088	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Na+HCOOH"	68.994688
"164190"	909.64984	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+2K-H"	76.91904
"604484"	1326.01524	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+2K-H"	76.91904
"1092277"	493.28444	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2K-H"	76.91904
"156144"	455.328558	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"2M+2K"	77.926316
"596558"	663.511258	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"3M+2K"	77.926316
"1082528"	247.145858	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2K"	77.926316
"1113791"	495.298992	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2K+H"	78.933592
"1347136"	495.386607	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+DMSO+H"	79.021207
"1019557"	499.425776	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2ACN+H"	83.060376
"1539506"	500.419408	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+IsoProp+Na+H"	84.054008
"1003520"	250.216526	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+2ACN+2H"	84.067652
"1595835"	501.334028	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+K+HCOOH"	84.968628
"1418216"	531.365538	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+H+CF3COOH"	115.000138
"1158344"	270.729801	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+3ACN+2H"	125.094202
"1701335"	548.392085	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+NH4+CF3COOH"	132.026685
"1635529"	553.34748	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+Na+CF3COOH"	136.98208
"1571545"	569.32142	"C15797"	"22alpha-Hydroxy-5alpha-campestan-3-one;(22S24R)-22-Hydroxy-5alpha-ergostan-3-one"	"C28H48O2"	"416.3654"	"M+K+CF3COOH"	152.95602
"805194"	418.3811	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M"	0
"977631"	399.36271	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H2O-H"	-19.01839
"68060"	277.913457333333	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-3H"	-3.021828
"509807"	417.373824	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-3H"	-3.021828
"884332"	138.453090666667	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-3H"	-3.021828
"5092"	417.373824	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H"	-2.014552
"447937"	626.564374	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H"	-2.014552
"821363"	208.183274	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H"	-2.014552
"81722"	835.754924	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-H"	-1.007276
"526386"	1254.136024	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-H"	-1.007276
"907470"	417.373824	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H"	-1.007276
"58564"	852.781471	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H+NH4"	16.019271
"499222"	1271.162571	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H+NH4"	16.019271
"875931"	434.400371	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H+NH4"	16.019271
"40548"	857.736866	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H+Na"	20.974666
"484485"	1276.117966	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H+Na"	20.974666
"851354"	439.355766	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H+Na"	20.974666
"1631824"	439.355766	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na-2H"	20.974666
"107260"	435.362163	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-H+Cl"	33.962126
"544633"	644.552713	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-H+Cl"	33.962126
"940336"	226.171613	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+Cl"	33.962126
"275611"	871.731602	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Cl"	34.969402
"668046"	1290.112702	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+Cl"	34.969402
"1280450"	453.350502	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl"	34.969402
"26286"	873.710806	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H+K"	36.948606
"465116"	1292.091906	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H+K"	36.948606
"842917"	455.329706	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H+K"	36.948606
"1567139"	455.329706	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K-2H"	36.948606
"956118"	463.379294	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+HCOOH"	44.998194
"369960"	881.760401	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+HCOOH-H"	44.998201
"354935"	895.776051	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Hac-H"	59.013851
"1501578"	477.394951	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Hac-H"	59.013851
"968754"	485.361251	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+NaCOOH"	66.980151
"120578"	453.350502	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2Cl"	69.938804
"558678"	662.541052	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2Cl"	69.938804
"1032943"	244.159952	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2Cl"	69.938804
"1252520"	497.299985	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Br"	78.918885
"1312780"	499.355972	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl+HCOOH"	80.974872
"1329190"	521.337929	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl+NaCOOH"	102.956829
"918058"	531.366686	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+CF3COOH"	112.985586
"1300238"	567.343364	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl+CF3COOH"	148.962264
"1374022"	383.368424	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H-2H2O"	-35.012676
"1385321"	401.3784	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H-H2O"	-17.0027
"289021"	837.769476	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H"	1.007276
"683635"	1256.150576	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H"	1.007276
"1361078"	419.388376	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H"	1.007276
"131776"	419.388376	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2H"	2.014552
"573524"	628.578926	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2H"	2.014552
"1046697"	210.197826	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2H"	2.014552
"213504"	279.928009333333	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+3H"	3.021828
"656712"	419.388376	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+3H"	3.021828
"1177264"	140.467642666667	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+3H"	3.021828
"436647"	854.796023	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+NH4"	18.033823
"798738"	1273.177123	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+NH4"	18.033823
"1693978"	436.414923	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+NH4"	18.033823
"342985"	427.9016495	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H+NH4"	19.041099
"732491"	637.0921995	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H+NH4"	19.041099
"1486308"	218.7110995	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+NH4"	19.041099
"406815"	859.751418	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Na"	22.989218
"765987"	1278.132518	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+Na"	22.989218
"1617372"	441.370318	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na"	22.989218
"326676"	430.379347	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H+Na"	23.996494
"721777"	639.569897	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H+Na"	23.996494
"1471460"	221.188797	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+Na"	23.996494
"1060332"	147.794956666667	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2H+Na"	25.00377
"1269666"	451.414586	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+CH3OH+H"	33.033486
"392583"	875.725358	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+K"	38.963158
"753494"	1294.106458	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+K"	38.963158
"1553113"	457.344258	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K"	38.963158
"309562"	438.366317	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H+K"	39.970434
"701984"	647.556867	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H+K"	39.970434
"1457625"	229.175767	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+K"	39.970434
"247690"	878.796026	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+ACN+H"	42.033826
"1222584"	460.414926	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+ACN+H"	42.033826
"1208289"	230.711101	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+ACN+2H"	43.041102
"200429"	881.73336	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2Na-H"	44.97116
"636708"	1300.11446	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2Na-H"	44.97116
"1139121"	463.35226	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2Na-H"	44.97116
"181320"	441.370318	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2Na"	45.978436
"618692"	650.560868	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2Na"	45.978436
"1123293"	232.179768	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2Na"	45.978436
"1406817"	155.122270666667	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+2Na"	46.985712
"1437476"	465.393846	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+HCOOH"	47.012746
"226441"	446.40334	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+3H2O+2H"	56.04448
"1514501"	479.44589	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+IsoProp+H"	61.06479
"411635"	449.357288	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Na+K"	61.952376
"772631"	658.547838	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+Na+K"	61.952376
"1667869"	240.166738	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na+K"	61.952376
"256951"	900.777968	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+ACN+Na"	64.015768
"1228928"	482.396868	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+ACN+Na"	64.015768
"1717450"	482.420393	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+NH4+HCOOH"	64.039293
"1185360"	162.449584666667	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+3Na"	68.967654
"1658167"	487.375788	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na+HCOOH"	68.994688
"164301"	913.68124	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2K-H"	76.91904
"606783"	1332.06234	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2K-H"	76.91904
"1095669"	495.30014	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2K-H"	76.91904
"155771"	457.344258	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2K"	77.926316
"596873"	666.534808	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2K"	77.926316
"1082638"	248.153708	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2K"	77.926316
"1113052"	497.314692	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2K+H"	78.933592
"1350166"	497.402307	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+DMSO+H"	79.021207
"1020844"	501.441476	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2ACN+H"	83.060376
"1539497"	502.435108	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+IsoProp+Na+H"	84.054008
"1004360"	251.224376	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2ACN+2H"	84.067652
"1599226"	503.349728	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K+HCOOH"	84.968628
"1419419"	533.381238	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+CF3COOH"	115.000138
"1155174"	271.737651	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+3ACN+2H"	125.094202
"1705819"	550.407785	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+NH4+CF3COOH"	132.026685
"1635275"	555.36318	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na+CF3COOH"	136.98208
"1572384"	571.33712	"C15798"	"6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K+CF3COOH"	152.95602
"802631"	434.376	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M"	0
"975555"	415.35761	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-H2O-H"	-19.01839
"64891"	288.576724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M-3H"	-3.021828
"507731"	433.368724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M-3H"	-3.021828
"884442"	143.784724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-3H"	-3.021828
"3016"	433.368724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M-2H"	-2.014552
"445860"	650.556724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M-2H"	-2.014552
"819650"	216.180724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-2H"	-2.014552
"81468"	867.744724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M-H"	-1.007276
"522121"	1302.120724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M-H"	-1.007276
"904298"	433.368724	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-H"	-1.007276
"56486"	884.771271	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M-2H+NH4"	16.019271
"496049"	1319.147271	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M-2H+NH4"	16.019271
"867287"	450.395271	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-2H+NH4"	16.019271
"36647"	889.726666	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M-2H+Na"	20.974666
"482407"	1324.102666	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M-2H+Na"	20.974666
"853651"	455.350666	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-2H+Na"	20.974666
"1620997"	455.350666	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Na-2H"	20.974666
"97528"	451.357063	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M-H+Cl"	33.962126
"541463"	668.545063	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M-H+Cl"	33.962126
"941540"	234.169063	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-H+Cl"	33.962126
"275721"	903.721402	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+Cl"	34.969402
"669249"	1338.097402	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+Cl"	34.969402
"1283475"	469.345402	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Cl"	34.969402
"26396"	905.700606	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M-2H+K"	36.948606
"465226"	1340.076606	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M-2H+K"	36.948606
"842298"	471.324606	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-2H+K"	36.948606
"1569070"	471.324606	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+K-2H"	36.948606
"955499"	479.374194	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-H+HCOOH"	44.998194
"371164"	913.750201	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+HCOOH-H"	44.998201
"357596"	927.765851	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+Hac-H"	59.013851
"1504604"	493.389851	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Hac-H"	59.013851
"968135"	501.356151	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-H+NaCOOH"	66.980151
"121781"	469.345402	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+2Cl"	69.938804
"560976"	686.533402	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+2Cl"	69.938804
"1031962"	252.157402	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2Cl"	69.938804
"1252630"	513.294885	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Br"	78.918885
"1315077"	515.350872	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Cl+HCOOH"	80.974872
"1329301"	537.332829	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Cl+NaCOOH"	102.956829
"918169"	547.361586	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M-H+CF3COOH"	112.985586
"1297069"	583.338264	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Cl+CF3COOH"	148.962264
"1374132"	399.363324	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H-2H2O"	-35.012676
"1385431"	417.3733	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H-H2O"	-17.0027
"291316"	869.759276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+H"	1.007276
"684839"	1304.135276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+H"	1.007276
"1354990"	435.383276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H"	1.007276
"126902"	435.383276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+2H"	2.014552
"570354"	652.571276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+2H"	2.014552
"1044620"	218.195276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2H"	2.014552
"211428"	290.591276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+3H"	3.021828
"656458"	435.383276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+3H"	3.021828
"1176402"	145.799276	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+3H"	3.021828
"435664"	886.785823	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+NH4"	18.033823
"796662"	1321.161823	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+NH4"	18.033823
"1690809"	452.409823	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+NH4"	18.033823
"337993"	443.8965495	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+H+NH4"	19.041099
"730415"	661.0845495	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+H+NH4"	19.041099
"1486418"	226.7085495	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H+NH4"	19.041099
"406561"	891.741218	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+Na"	22.989218
"766097"	1326.117218	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+Na"	22.989218
"1618251"	457.365218	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Na"	22.989218
"326786"	446.374247	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+H+Na"	23.996494
"721279"	663.562247	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+H+Na"	23.996494
"1475579"	229.186247	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H+Na"	23.996494
"1060442"	153.12659	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2H+Na"	25.00377
"1268683"	467.409486	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+CH3OH+H"	33.033486
"392778"	907.715158	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+K"	38.963158
"750442"	1342.091158	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+K"	38.963158
"1551400"	473.339158	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+K"	38.963158
"309672"	454.361217	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+H+K"	39.970434
"699905"	671.549217	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+H+K"	39.970434
"1455913"	237.173217	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H+K"	39.970434
"249984"	910.785826	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+ACN+H"	42.033826
"1222691"	476.409826	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+ACN+H"	42.033826
"1209128"	238.708551	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+ACN+2H"	43.041102
"202726"	913.72316	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+2Na-H"	44.97116
"635725"	1348.09916	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+2Na-H"	44.97116
"1142511"	479.34716	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2Na-H"	44.97116
"185075"	457.365218	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+2Na"	45.978436
"619166"	674.553218	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+2Na"	45.978436
"1125590"	240.177218	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2Na"	45.978436
"1406927"	160.453904	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H+2Na"	46.985712
"1436857"	481.388746	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H+HCOOH"	47.012746
"228738"	462.39824	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+3H2O+2H"	56.04448
"1513518"	495.44079	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+IsoProp+H"	61.06479
"411017"	465.352188	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+Na+K"	61.952376
"772012"	682.540188	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+Na+K"	61.952376
"1667612"	248.164188	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Na+K"	61.952376
"255968"	932.767768	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+ACN+Na"	64.015768
"1229768"	498.391768	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+ACN+Na"	64.015768
"1716468"	498.415293	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+NH4+HCOOH"	64.039293
"1186199"	167.781218	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+3Na"	68.967654
"1655363"	503.370688	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Na+HCOOH"	68.994688
"162589"	945.67104	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+2K-H"	76.91904
"605799"	1380.04704	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+2K-H"	76.91904
"1092498"	511.29504	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2K-H"	76.91904
"153689"	473.339158	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"2M+2K"	77.926316
"596494"	690.527158	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"3M+2K"	77.926316
"1082139"	256.151158	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2K"	77.926316
"1113160"	513.309592	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2K+H"	78.933592
"1350276"	513.397207	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+DMSO+H"	79.021207
"1020635"	517.436376	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2ACN+H"	83.060376
"1539484"	518.430008	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+IsoProp+Na+H"	84.054008
"1003739"	259.221826	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+2ACN+2H"	84.067652
"1599335"	519.344628	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+K+HCOOH"	84.968628
"1420622"	549.376138	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+H+CF3COOH"	115.000138
"1155284"	279.735101	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+3ACN+2H"	125.094202
"1702649"	566.402685	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+NH4+CF3COOH"	132.026685
"1635749"	571.35808	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+Na+CF3COOH"	136.98208
"1571522"	587.33202	"C15799"	"6-Deoxoteasterone"	"C28H50O3"	"434.376"	"M+K+CF3COOH"	152.95602
"808696"	432.3603	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M"	0
"975668"	413.34191	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-H2O-H"	-19.01839
"69376"	287.232924	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M-3H"	-3.021828
"508935"	431.353024	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M-3H"	-3.021828
"885645"	143.112824	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-3H"	-3.021828
"3126"	431.353024	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M-2H"	-2.014552
"441595"	647.533174	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M-2H"	-2.014552
"818303"	215.172874	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-2H"	-2.014552
"82668"	863.713324	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M-H"	-1.007276
"520768"	1296.073624	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M-H"	-1.007276
"898937"	431.353024	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-H"	-1.007276
"50394"	880.739871	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M-2H+NH4"	16.019271
"490687"	1313.100171	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M-2H+NH4"	16.019271
"865938"	448.379571	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-2H+NH4"	16.019271
"32377"	885.695266	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M-2H+Na"	20.974666
"479237"	1318.055566	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M-2H+Na"	20.974666
"862508"	453.334966	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-2H+Na"	20.974666
"1633135"	453.334966	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Na-2H"	20.974666
"107478"	449.341363	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M-H+Cl"	33.962126
"544853"	665.521513	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M-H+Cl"	33.962126
"938368"	233.161213	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-H+Cl"	33.962126
"268416"	899.690002	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+Cl"	34.969402
"673733"	1332.050302	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+Cl"	34.969402
"1286864"	467.329702	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Cl"	34.969402
"30514"	901.669206	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M-2H+K"	36.948606
"466065"	1334.029506	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M-2H+K"	36.948606
"846783"	469.308906	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-2H+K"	36.948606
"1569909"	469.308906	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+K-2H"	36.948606
"956704"	477.358494	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-H+HCOOH"	44.998194
"374553"	909.718801	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+HCOOH-H"	44.998201
"355151"	923.734451	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+Hac-H"	59.013851
"1499974"	491.374151	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Hac-H"	59.013851
"965329"	499.340451	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-H+NaCOOH"	66.980151
"121528"	467.329702	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+2Cl"	69.938804
"562545"	683.509852	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+2Cl"	69.938804
"1029885"	251.149552	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2Cl"	69.938804
"1252014"	511.279185	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Br"	78.918885
"1315187"	513.335172	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Cl+HCOOH"	80.974872
"1329411"	535.317129	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Cl+NaCOOH"	102.956829
"920466"	545.345886	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M-H+CF3COOH"	112.985586
"1294989"	581.322564	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Cl+CF3COOH"	148.962264
"1373149"	397.347624	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H-2H2O"	-35.012676
"1387364"	415.3576	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H-H2O"	-17.0027
"291425"	865.727876	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+H"	1.007276
"683855"	1298.088176	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+H"	1.007276
"1358015"	433.367576	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H"	1.007276
"127255"	433.367576	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+2H"	2.014552
"570463"	649.547726	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+2H"	2.014552
"1044730"	217.187426	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2H"	2.014552
"212632"	289.247476	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+3H"	3.021828
"655472"	433.367576	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+3H"	3.021828
"1169222"	145.127376	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+3H"	3.021828
"431399"	882.754423	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+NH4"	18.033823
"792396"	1315.114723	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+NH4"	18.033823
"1690914"	450.394123	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+NH4"	18.033823
"339194"	441.8808495	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+H+NH4"	19.041099
"728333"	658.0609995	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+H+NH4"	19.041099
"1484339"	225.7006995	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H+NH4"	19.041099
"403021"	887.709818	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+Na"	22.989218
"760735"	1320.070118	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+Na"	22.989218
"1617953"	455.349518	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Na"	22.989218
"327624"	444.358547	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+H+Na"	23.996494
"722731"	660.538697	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+H+Na"	23.996494
"1475689"	228.178397	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H+Na"	23.996494
"1062738"	152.45469	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2H+Na"	25.00377
"1270979"	465.393786	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+CH3OH+H"	33.033486
"392768"	903.683758	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+K"	38.963158
"754113"	1336.044058	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+K"	38.963158
"1551511"	471.323458	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+K"	38.963158
"308689"	452.345517	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+H+K"	39.970434
"698922"	668.525667	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+H+K"	39.970434
"1457118"	236.165367	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H+K"	39.970434
"249730"	906.754426	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+ACN+H"	42.033826
"1225478"	474.394126	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+ACN+H"	42.033826
"1208387"	237.700701	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+ACN+2H"	43.041102
"200649"	909.69176	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+2Na-H"	44.97116
"638022"	1342.05206	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+2Na-H"	44.97116
"1141894"	477.33146	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2Na-H"	44.97116
"184457"	455.349518	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+2Na"	45.978436
"620007"	671.529668	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+2Na"	45.978436
"1123513"	239.169368	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2Na"	45.978436
"1401570"	159.782004	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H+2Na"	46.985712
"1438060"	479.373046	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H+HCOOH"	47.012746
"225568"	460.38254	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+3H2O+2H"	56.04448
"1514722"	493.42509	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+IsoProp+H"	61.06479
"412220"	463.336488	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+Na+K"	61.952376
"773580"	679.516638	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+Na+K"	61.952376
"1668087"	247.156338	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Na+K"	61.952376
"254985"	928.736368	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+ACN+Na"	64.015768
"1228054"	496.376068	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+ACN+Na"	64.015768
"1715486"	496.399593	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+NH4+HCOOH"	64.039293
"1186309"	167.109318	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+3Na"	68.967654
"1655472"	501.354988	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Na+HCOOH"	68.994688
"161605"	941.63964	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+2K-H"	76.91904
"607002"	1373.99994	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+2K-H"	76.91904
"1092608"	509.27934	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2K-H"	76.91904
"153799"	471.323458	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"2M+2K"	77.926316
"596640"	687.503608	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"3M+2K"	77.926316
"1083220"	255.143308	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2K"	77.926316
"1113270"	511.293892	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2K+H"	78.933592
"1351118"	511.381507	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+DMSO+H"	79.021207
"1020983"	515.420676	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2ACN+H"	83.060376
"1539661"	516.414308	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+IsoProp+Na+H"	84.054008
"1000569"	258.213976	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+2ACN+2H"	84.067652
"1595071"	517.328928	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+K+HCOOH"	84.968628
"1422917"	547.360438	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+H+CF3COOH"	115.000138
"1155394"	278.727251	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+3ACN+2H"	125.094202
"1701665"	564.386985	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+NH4+CF3COOH"	132.026685
"1636224"	569.34238	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+Na+CF3COOH"	136.98208
"1573334"	585.31632	"C15800"	"3-Dehydro-6-deoxoteasterone"	"C28H48O3"	"432.3603"	"M+K+CF3COOH"	152.95602
"805525"	434.376	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M"	0
"976870"	415.35761	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-H2O-H"	-19.01839
"69486"	288.576724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M-3H"	-3.021828
"513419"	433.368724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M-3H"	-3.021828
"884662"	143.784724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-3H"	-3.021828
"4332"	433.368724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M-2H"	-2.014552
"442798"	650.556724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M-2H"	-2.014552
"821693"	216.180724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-2H"	-2.014552
"83872"	867.744724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M-H"	-1.007276
"521242"	1302.120724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M-H"	-1.007276
"900142"	433.368724	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-H"	-1.007276
"50140"	884.771271	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M-2H+NH4"	16.019271
"490797"	1319.147271	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M-2H+NH4"	16.019271
"866410"	450.395271	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-2H+NH4"	16.019271
"31632"	889.726666	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M-2H+Na"	20.974666
"479347"	1324.102666	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M-2H+Na"	20.974666
"861525"	455.350666	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-2H+Na"	20.974666
"1633369"	455.350666	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Na-2H"	20.974666
"107224"	451.357063	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M-H+Cl"	33.962126
"538400"	668.545063	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M-H+Cl"	33.962126
"931915"	234.169063	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-H+Cl"	33.962126
"275941"	903.721402	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+Cl"	34.969402
"674452"	1338.097402	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+Cl"	34.969402
"1282964"	469.345402	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Cl"	34.969402
"25520"	905.700606	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M-2H+K"	36.948606
"466175"	1340.076606	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M-2H+K"	36.948606
"847866"	471.324606	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-2H+K"	36.948606
"1571112"	471.324606	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+K-2H"	36.948606
"953170"	479.374194	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-H+HCOOH"	44.998194
"374664"	913.750201	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+HCOOH-H"	44.998201
"357449"	927.765851	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+Hac-H"	59.013851
"1503000"	493.389851	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Hac-H"	59.013851
"965075"	501.356151	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-H+NaCOOH"	66.980151
"120908"	469.345402	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+2Cl"	69.938804
"561927"	686.533402	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+2Cl"	69.938804
"1034366"	252.157402	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2Cl"	69.938804
"1255037"	513.294885	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Br"	78.918885
"1312017"	515.350872	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Cl+HCOOH"	80.974872
"1328425"	537.332829	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Cl+NaCOOH"	102.956829
"921669"	547.361586	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M-H+CF3COOH"	112.985586
"1297286"	583.338264	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Cl+CF3COOH"	148.962264
"1373259"	399.363324	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H-2H2O"	-35.012676
"1385286"	417.3733	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H-H2O"	-17.0027
"291535"	869.759276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+H"	1.007276
"680685"	1304.135276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+H"	1.007276
"1355936"	435.383276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H"	1.007276
"126636"	435.383276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+2H"	2.014552
"567293"	652.571276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+2H"	2.014552
"1043746"	218.195276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2H"	2.014552
"211648"	290.591276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+3H"	3.021828
"650114"	435.383276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+3H"	3.021828
"1169332"	145.799276	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+3H"	3.021828
"429322"	886.785823	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+NH4"	18.033823
"787764"	1321.161823	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+NH4"	18.033823
"1683366"	452.409823	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+NH4"	18.033823
"332367"	443.8965495	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+H+NH4"	19.041099
"727347"	661.0845495	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+H+NH4"	19.041099
"1478611"	226.7085495	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H+NH4"	19.041099
"399851"	891.741218	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+Na"	22.989218
"760844"	1326.117218	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+Na"	22.989218
"1613324"	457.365218	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Na"	22.989218
"326642"	446.374247	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+H+Na"	23.996494
"722725"	663.562247	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+H+Na"	23.996494
"1472887"	229.186247	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H+Na"	23.996494
"1065038"	153.12659	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2H+Na"	25.00377
"1272603"	467.409486	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+CH3OH+H"	33.033486
"392473"	907.715158	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+K"	38.963158
"754110"	1342.091158	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+K"	38.963158
"1555542"	473.339158	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+K"	38.963158
"312081"	454.361217	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+H+K"	39.970434
"705231"	671.549217	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+H+K"	39.970434
"1460146"	237.173217	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H+K"	39.970434
"250816"	910.785826	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+ACN+H"	42.033826
"1225187"	476.409826	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+ACN+H"	42.033826
"1207529"	238.708551	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+ACN+2H"	43.041102
"201855"	913.72316	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+2Na-H"	44.97116
"638134"	1348.09916	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+2Na-H"	44.97116
"1143098"	479.34716	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2Na-H"	44.97116
"185659"	457.365218	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+2Na"	45.978436
"620117"	674.553218	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+2Na"	45.978436
"1126904"	240.177218	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2Na"	45.978436
"1407147"	160.453904	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H+2Na"	46.985712
"1438170"	481.388746	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H+HCOOH"	47.012746
"227865"	462.39824	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+3H2O+2H"	56.04448
"1515926"	495.44079	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+IsoProp+H"	61.06479
"409782"	465.352188	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+Na+K"	61.952376
"772231"	682.540188	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+Na+K"	61.952376
"1666739"	248.164188	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Na+K"	61.952376
"255096"	932.767768	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+ACN+Na"	64.015768
"1231084"	498.391768	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+ACN+Na"	64.015768
"1716689"	498.415293	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+NH4+HCOOH"	64.039293
"1189700"	167.781218	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+3Na"	68.967654
"1655218"	503.370688	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Na+HCOOH"	68.994688
"169739"	945.67104	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+2K-H"	76.91904
"608206"	1380.04704	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+2K-H"	76.91904
"1099279"	511.29504	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2K-H"	76.91904
"153909"	473.339158	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"2M+2K"	77.926316
"596918"	690.527158	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"3M+2K"	77.926316
"1076889"	256.151158	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2K"	77.926316
"1113382"	513.309592	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2K+H"	78.933592
"1349768"	513.397207	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+DMSO+H"	79.021207
"1020486"	517.436376	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2ACN+H"	83.060376
"1539708"	518.430008	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+IsoProp+Na+H"	84.054008
"1004933"	259.221826	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+2ACN+2H"	84.067652
"1598462"	519.344628	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+K+HCOOH"	84.968628
"1421937"	549.376138	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+H+CF3COOH"	115.000138
"1158784"	279.735101	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+3ACN+2H"	125.094202
"1698860"	566.402685	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+NH4+CF3COOH"	132.026685
"1636698"	571.35808	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+Na+CF3COOH"	136.98208
"1576359"	587.33202	"C15801"	"6-Deoxotyphasterol"	"C28H50O3"	"434.376"	"M+K+CF3COOH"	152.95602
"815843"	450.3709	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M"	0
"985729"	431.35251	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-H2O-H"	-19.01839
"68504"	299.239990666667	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M-3H"	-3.021828
"509156"	449.363624	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M-3H"	-3.021828
"886960"	149.116357333333	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-3H"	-3.021828
"4442"	449.363624	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M-2H"	-2.014552
"444001"	674.549074	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M-2H"	-2.014552
"822896"	224.178174	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-2H"	-2.014552
"83982"	899.734524	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M-H"	-1.007276
"522445"	1350.105424	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M-H"	-1.007276
"900252"	449.363624	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-H"	-1.007276
"50250"	916.761071	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M-2H+NH4"	16.019271
"489815"	1367.131971	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M-2H+NH4"	16.019271
"866884"	466.390171	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-2H+NH4"	16.019271
"32714"	921.716466	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M-2H+Na"	20.974666
"479457"	1372.087366	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M-2H+Na"	20.974666
"862364"	471.345566	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-2H+Na"	20.974666
"1631167"	471.345566	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Na-2H"	20.974666
"108914"	467.351963	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M-H+Cl"	33.962126
"541792"	692.537413	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M-H+Cl"	33.962126
"935306"	242.166513	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-H+Cl"	33.962126
"276050"	935.711202	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+Cl"	34.969402
"673952"	1386.082102	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+Cl"	34.969402
"1286355"	485.340302	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Cl"	34.969402
"22350"	937.690406	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M-2H+K"	36.948606
"471030"	1388.061306	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M-2H+K"	36.948606
"845909"	487.319506	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-2H+K"	36.948606
"1569763"	487.319506	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+K-2H"	36.948606
"955103"	495.369094	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-H+HCOOH"	44.998194
"375138"	945.740001	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+HCOOH-H"	44.998201
"359382"	959.755651	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+Hac-H"	59.013851
"1503110"	509.384751	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Hac-H"	59.013851
"966278"	517.351051	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-H+NaCOOH"	66.980151
"121018"	485.340302	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+2Cl"	69.938804
"560212"	710.525752	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+2Cl"	69.938804
"1033384"	260.154852	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2Cl"	69.938804
"1251866"	529.289785	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Br"	78.918885
"1312126"	531.345772	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Cl+HCOOH"	80.974872
"1328535"	553.327729	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Cl+NaCOOH"	102.956829
"919593"	563.356486	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M-H+CF3COOH"	112.985586
"1297396"	599.333164	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Cl+CF3COOH"	148.962264
"1374462"	415.358224	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H-2H2O"	-35.012676
"1385395"	433.3682	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H-H2O"	-17.0027
"290552"	901.749076	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+H"	1.007276
"683710"	1352.119976	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+H"	1.007276
"1357139"	451.378176	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H"	1.007276
"128934"	451.378176	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+2H"	2.014552
"569590"	676.563626	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+2H"	2.014552
"1043857"	226.192726	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2H"	2.014552
"212851"	301.254542666667	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+3H"	3.021828
"650224"	451.378176	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+3H"	3.021828
"1168348"	151.130909333333	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+3H"	3.021828
"430525"	918.775623	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+NH4"	18.033823
"787506"	1369.146523	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+NH4"	18.033823
"1684204"	468.404723	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+NH4"	18.033823
"335030"	459.8914495	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+H+NH4"	19.041099
"728550"	685.0768995	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+H+NH4"	19.041099
"1477747"	234.7059995	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H+NH4"	19.041099
"397774"	923.731018	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+Na"	22.989218
"759131"	1374.101918	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+Na"	22.989218
"1609052"	473.360118	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Na"	22.989218
"321283"	462.369147	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+H+Na"	23.996494
"718082"	687.554597	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+H+Na"	23.996494
"1472268"	237.183697	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H+Na"	23.996494
"1064783"	158.458223333333	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2H+Na"	25.00377
"1272513"	483.404386	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+CH3OH+H"	33.033486
"392341"	939.704958	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+K"	38.963158
"753819"	1390.075858	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+K"	38.963158
"1554534"	489.334058	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+K"	38.963158
"311830"	470.356117	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+H+K"	39.970434
"705343"	695.541567	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+H+K"	39.970434
"1459409"	245.170667	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H+K"	39.970434
"250200"	942.775626	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+ACN+H"	42.033826
"1224483"	492.404726	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+ACN+H"	42.033826
"1207273"	246.706001	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+ACN+2H"	43.041102
"202453"	945.71296	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+2Na-H"	44.97116
"638244"	1396.08386	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+2Na-H"	44.97116
"1145029"	495.34206	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2Na-H"	44.97116
"177385"	473.360118	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+2Na"	45.978436
"621320"	698.545568	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+2Na"	45.978436
"1124827"	248.174668	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2Na"	45.978436
"1409444"	165.785537333333	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H+2Na"	46.985712
"1441561"	497.383646	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H+HCOOH"	47.012746
"229068"	478.39314	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+3H2O+2H"	56.04448
"1516036"	511.43569	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+IsoProp+H"	61.06479
"409000"	481.347088	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+Na+K"	61.952376
"771612"	706.532538	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+Na+K"	61.952376
"1665717"	256.161638	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Na+K"	61.952376
"256300"	964.757568	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+ACN+Na"	64.015768
"1229372"	514.386668	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+ACN+Na"	64.015768
"1718987"	514.410193	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+NH4+HCOOH"	64.039293
"1188720"	173.112851333333	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+3Na"	68.967654
"1655329"	519.365588	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Na+HCOOH"	68.994688
"169849"	977.66084	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+2K-H"	76.91904
"608316"	1428.03174	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+2K-H"	76.91904
"1098296"	527.28994	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2K-H"	76.91904
"154019"	489.334058	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"2M+2K"	77.926316
"596380"	714.519508	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"3M+2K"	77.926316
"1078092"	264.148608	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2K"	77.926316
"1114587"	529.304492	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2K+H"	78.933592
"1349514"	529.392107	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+DMSO+H"	79.021207
"1018410"	533.431276	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2ACN+H"	83.060376
"1538721"	534.424908	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+IsoProp+Na+H"	84.054008
"1004073"	267.219276	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+2ACN+2H"	84.067652
"1601855"	535.339528	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+K+HCOOH"	84.968628
"1428608"	565.371038	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+H+CF3COOH"	115.000138
"1158894"	287.732551	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+3ACN+2H"	125.094202
"1699699"	582.397585	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+NH4+CF3COOH"	132.026685
"1638631"	587.35298	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+Na+CF3COOH"	136.98208
"1573190"	603.32692	"C15802"	"6-Deoxocastasterone"	"C28H50O4"	"450.3709"	"M+K+CF3COOH"	152.95602
"809026"	466.3658	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M"	0
"978183"	447.34741	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-H2O-H"	-19.01839
"67519"	309.903257333333	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M-3H"	-3.021828
"507078"	465.358524	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M-3H"	-3.021828
"880866"	154.447990666667	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-3H"	-3.021828
"4552"	465.358524	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M-2H"	-2.014552
"446299"	698.541424	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M-2H"	-2.014552
"828476"	232.175624	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-2H"	-2.014552
"84095"	931.724324	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M-H"	-1.007276
"525841"	1398.090124	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M-H"	-1.007276
"905831"	465.358524	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-H"	-1.007276
"54737"	948.750871	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M-2H+NH4"	16.019271
"496487"	1415.116671	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M-2H+NH4"	16.019271
"868824"	482.385071	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-2H+NH4"	16.019271
"33807"	953.706266	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M-2H+Na"	20.974666
"485400"	1420.072066	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M-2H+Na"	20.974666
"863203"	487.340466	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-2H+Na"	20.974666
"1631277"	487.340466	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Na-2H"	20.974666
"109149"	483.346863	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M-H+Cl"	33.962126
"548462"	716.529763	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M-H+Cl"	33.962126
"933229"	250.163963	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-H+Cl"	33.962126
"271785"	967.701002	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+Cl"	34.969402
"671875"	1434.066802	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+Cl"	34.969402
"1285372"	501.335202	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Cl"	34.969402
"22460"	969.680206	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M-2H+K"	36.948606
"470407"	1436.046006	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M-2H+K"	36.948606
"842738"	503.314406	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-2H+K"	36.948606
"1570724"	503.314406	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+K-2H"	36.948606
"955576"	511.363994	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-H+HCOOH"	44.998194
"374155"	977.729801	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+HCOOH-H"	44.998201
"356211"	991.745451	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+Hac-H"	59.013851
"1502855"	525.379651	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Hac-H"	59.013851
"970030"	533.345951	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-H+NaCOOH"	66.980151
"120760"	501.335202	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+2Cl"	69.938804
"557768"	734.518102	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+2Cl"	69.938804
"1033858"	268.152302	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2Cl"	69.938804
"1249789"	545.284685	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Br"	78.918885
"1315517"	547.340672	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Cl+HCOOH"	80.974872
"1329738"	569.322629	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Cl+NaCOOH"	102.956829
"920795"	579.351386	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M-H+CF3COOH"	112.985586
"1299692"	615.328064	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Cl+CF3COOH"	148.962264
"1373479"	431.353124	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H-2H2O"	-35.012676
"1385867"	449.3631	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H-H2O"	-17.0027
"289568"	933.738876	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+H"	1.007276
"680902"	1400.104676	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+H"	1.007276
"1357249"	467.373076	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H"	1.007276
"129045"	467.373076	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+2H"	2.014552
"568604"	700.555976	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+2H"	2.014552
"1039952"	234.190176	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2H"	2.014552
"210773"	311.917809333333	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+3H"	3.021828
"649239"	467.373076	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+3H"	3.021828
"1167364"	156.462542666667	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+3H"	3.021828
"429542"	950.765423	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+NH4"	18.033823
"788350"	1417.131223	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+NH4"	18.033823
"1683945"	484.399623	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+NH4"	18.033823
"332952"	475.8863495	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+H+NH4"	19.041099
"726466"	709.0692495	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+H+NH4"	19.041099
"1477487"	242.7034495	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H+NH4"	19.041099
"394232"	955.720818	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+Na"	22.989218
"754287"	1422.086618	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+Na"	22.989218
"1611348"	489.355018	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Na"	22.989218
"321390"	478.364047	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+H+Na"	23.996494
"721228"	711.546947	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+H+Na"	23.996494
"1475294"	245.181147	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H+Na"	23.996494
"1066596"	163.789856666667	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2H+Na"	25.00377
"1272297"	499.399286	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+CH3OH+H"	33.033486
"391848"	971.694758	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+K"	38.963158
"753568"	1438.060558	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+K"	38.963158
"1554895"	505.328958	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+K"	38.963158
"313888"	486.351017	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+H+K"	39.970434
"706672"	719.533917	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+H+K"	39.970434
"1460249"	253.168117	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H+K"	39.970434
"250069"	974.765426	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+ACN+H"	42.033826
"1224229"	508.399626	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+ACN+H"	42.033826
"1207018"	254.703451	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+ACN+2H"	43.041102
"200982"	977.70276	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+2Na-H"	44.97116
"641638"	1444.06856	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+2Na-H"	44.97116
"1143683"	511.33696	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2Na-H"	44.97116
"182963"	489.355018	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+2Na"	45.978436
"621430"	722.537918	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+2Na"	45.978436
"1126030"	256.172118	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2Na"	45.978436
"1409554"	171.117170666667	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H+2Na"	46.985712
"1440576"	513.378546	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H+HCOOH"	47.012746
"229177"	494.38804	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+3H2O+2H"	56.04448
"1516147"	527.43059	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+IsoProp+H"	61.06479
"409638"	497.341988	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+Na+K"	61.952376
"770996"	730.524888	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+Na+K"	61.952376
"1667698"	264.159088	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Na+K"	61.952376
"260784"	996.747368	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+ACN+Na"	64.015768
"1237866"	530.381568	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+ACN+Na"	64.015768
"1726389"	530.405093	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+NH4+HCOOH"	64.039293
"1192475"	178.444484666667	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+3Na"	68.967654
"1655439"	535.360488	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Na+HCOOH"	68.994688
"169959"	1009.65064	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+2K-H"	76.91904
"611341"	1476.01644	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+2K-H"	76.91904
"1099585"	543.28484	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2K-H"	76.91904
"156195"	505.328958	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"2M+2K"	77.926316
"596851"	738.511858	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"3M+2K"	77.926316
"1080388"	272.146058	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2K"	77.926316
"1114575"	545.299392	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2K+H"	78.933592
"1349624"	545.387007	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+DMSO+H"	79.021207
"1019614"	549.426176	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2ACN+H"	83.060376
"1538833"	550.419808	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+IsoProp+Na+H"	84.054008
"1000902"	275.216726	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+2ACN+2H"	84.067652
"1599780"	551.334428	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+K+HCOOH"	84.968628
"1426533"	581.365938	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+H+CF3COOH"	115.000138
"1159006"	295.730001	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+3ACN+2H"	125.094202
"1703090"	598.392485	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+NH4+CF3COOH"	132.026685
"1644210"	603.34788	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+Na+CF3COOH"	136.98208
"1573300"	619.32182	"C15803"	"6alpha-Hydroxy-castasterone"	"C28H50O5"	"466.3658"	"M+K+CF3COOH"	152.95602
"815701"	442.3447	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M"	0
"985955"	423.32631	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-H2O-H"	-19.01839
"76386"	293.889190666667	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M-3H"	-3.021828
"518014"	441.337424	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M-3H"	-3.021828
"893749"	146.440957333333	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-3H"	-3.021828
"13783"	441.337424	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M-2H"	-2.014552
"452976"	662.509774	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M-2H"	-2.014552
"831511"	220.165074	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-2H"	-2.014552
"92960"	883.682124	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M-H"	-1.007276
"529239"	1326.026824	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M-H"	-1.007276
"908139"	441.337424	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-H"	-1.007276
"55953"	900.708671	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M-2H+NH4"	16.019271
"489075"	1343.053371	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M-2H+NH4"	16.019271
"866876"	458.363971	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-2H+NH4"	16.019271
"42308"	905.664066	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M-2H+Na"	20.974666
"479684"	1348.008766	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M-2H+Na"	20.974666
"849463"	463.319366	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-2H+Na"	20.974666
"1623738"	463.319366	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Na-2H"	20.974666
"108917"	459.325763	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M-H+Cl"	33.962126
"549328"	680.498113	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M-H+Cl"	33.962126
"942352"	238.153413	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-H+Cl"	33.962126
"280658"	919.658802	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+Cl"	34.969402
"675033"	1362.003502	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+Cl"	34.969402
"1287923"	477.314102	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Cl"	34.969402
"30473"	921.638006	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M-2H+K"	36.948606
"470523"	1363.982706	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M-2H+K"	36.948606
"846862"	479.293306	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-2H+K"	36.948606
"1569986"	479.293306	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+K-2H"	36.948606
"957141"	487.342894	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-H+HCOOH"	44.998194
"376084"	929.687601	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+HCOOH-H"	44.998201
"358876"	943.703251	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+Hac-H"	59.013851
"1502244"	501.358551	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Hac-H"	59.013851
"968687"	509.324851	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-H+NaCOOH"	66.980151
"119778"	477.314102	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+2Cl"	69.938804
"563354"	698.486452	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+2Cl"	69.938804
"1031056"	256.141752	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2Cl"	69.938804
"1253189"	521.263585	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Br"	78.918885
"1315637"	523.319572	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Cl+HCOOH"	80.974872
"1330580"	545.301529	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Cl+NaCOOH"	102.956829
"923100"	555.330286	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M-H+CF3COOH"	112.985586
"1292155"	591.306964	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Cl+CF3COOH"	148.962264
"1373597"	407.332024	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H-2H2O"	-35.012676
"1396559"	425.342	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H-H2O"	-17.0027
"298546"	885.696676	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+H"	1.007276
"686480"	1328.041376	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+H"	1.007276
"1362464"	443.351976	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H"	1.007276
"129883"	443.351976	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+2H"	2.014552
"567621"	664.524326	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+2H"	2.014552
"1038363"	222.179626	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2H"	2.014552
"205899"	295.903742666667	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+3H"	3.021828
"646066"	443.351976	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+3H"	3.021828
"1165283"	148.455509333333	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+3H"	3.021828
"427460"	902.723223	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+NH4"	18.033823
"788455"	1345.067923	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+NH4"	18.033823
"1684791"	460.378523	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+NH4"	18.033823
"339630"	451.8652495	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+H+NH4"	19.041099
"733155"	673.0375995	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+H+NH4"	19.041099
"1484787"	230.6928995	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H+NH4"	19.041099
"400182"	907.678618	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+Na"	22.989218
"768841"	1350.023318	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+Na"	22.989218
"1617673"	465.333918	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Na"	22.989218
"324791"	454.342947	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+H+Na"	23.996494
"720858"	675.515297	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+H+Na"	23.996494
"1472130"	233.170597	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H+Na"	23.996494
"1066470"	155.782823333333	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2H+Na"	25.00377
"1272527"	475.378186	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+CH3OH+H"	33.033486
"388911"	923.652558	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+K"	38.963158
"747718"	1365.997258	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+K"	38.963158
"1548677"	481.307858	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+K"	38.963158
"310225"	462.329917	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+H+K"	39.970434
"703739"	683.502267	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+H+K"	39.970434
"1448808"	241.157567	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H+K"	39.970434
"239599"	926.723226	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+ACN+H"	42.033826
"1210848"	484.378526	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+ACN+H"	42.033826
"1196557"	242.692901	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+ACN+2H"	43.041102
"191254"	929.66056	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+2Na-H"	44.97116
"629955"	1372.00526	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+2Na-H"	44.97116
"1132246"	487.31586	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2Na-H"	44.97116
"173597"	465.333918	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+2Na"	45.978436
"614983"	686.506268	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+2Na"	45.978436
"1116176"	244.161568	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2Na"	45.978436
"1399090"	163.110137333333	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H+2Na"	46.985712
"1430840"	489.357446	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H+HCOOH"	47.012746
"224923"	470.36694	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+3H2O+2H"	56.04448
"1509706"	503.40949	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+IsoProp+H"	61.06479
"412675"	473.320888	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+Na+K"	61.952376
"773670"	694.493238	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+Na+K"	61.952376
"1665865"	252.148538	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Na+K"	61.952376
"258709"	948.705168	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+ACN+Na"	64.015768
"1232514"	506.360468	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+ACN+Na"	64.015768
"1719212"	506.383993	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+NH4+HCOOH"	64.039293
"1192223"	170.437451333333	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+3Na"	68.967654
"1663211"	511.339388	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Na+HCOOH"	68.994688
"170072"	961.60844	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+2K-H"	76.91904
"609271"	1403.95314	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+2K-H"	76.91904
"1094147"	519.26374	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2K-H"	76.91904
"150962"	481.307858	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"2M+2K"	77.926316
"588336"	702.480208	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"3M+2K"	77.926316
"1080502"	260.135508	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2K"	77.926316
"1107151"	521.278292	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2K+H"	78.933592
"1341351"	521.365907	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+DMSO+H"	79.021207
"1012067"	525.405076	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2ACN+H"	83.060376
"1528366"	526.398708	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+IsoProp+Na+H"	84.054008
"991658"	263.206176	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+2ACN+2H"	84.067652
"1588956"	527.313328	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+K+HCOOH"	84.968628
"1414202"	557.344838	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+H+CF3COOH"	115.000138
"1155846"	283.719451	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+3ACN+2H"	125.094202
"1706489"	574.371385	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+NH4+CF3COOH"	132.026685
"1641046"	579.32678	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+Na+CF3COOH"	136.98208
"1582164"	595.30072	"C15808"	"4alpha-Methylzymosterol-4-carboxylate;4alpha-Carboxy-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol"	"C29H46O3"	"442.3447"	"M+K+CF3COOH"	152.95602
"812530"	73.0164	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M"	0
"988252"	53.99801	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-H2O-H"	-19.01839
"77877"	47.670324	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M-3H"	-3.021828
"517152"	72.009124	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M-3H"	-3.021828
"895404"	23.331524	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-3H"	-3.021828
"14622"	72.009124	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M-2H"	-2.014552
"454179"	108.517324	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M-2H"	-2.014552
"829795"	35.500924	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-2H"	-2.014552
"92588"	145.025524	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M-H"	-1.007276
"531534"	218.041924	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M-H"	-1.007276
"907149"	72.009124	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-H"	-1.007276
"53877"	162.052071	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M-2H+NH4"	16.019271
"497811"	235.068471	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M-2H+NH4"	16.019271
"875613"	89.035671	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-2H+NH4"	16.019271
"42420"	167.007466	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M-2H+Na"	20.974666
"473474"	240.023866	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M-2H+Na"	20.974666
"859781"	93.991066	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-2H+Na"	20.974666
"1628221"	93.991066	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Na-2H"	20.974666
"98197"	89.997463	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M-H+Cl"	33.962126
"542134"	126.505663	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M-H+Cl"	33.962126
"942506"	53.489263	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-H+Cl"	33.962126
"282198"	181.002202	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+Cl"	34.969402
"675146"	254.018602	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+Cl"	34.969402
"1288115"	107.985802	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Cl"	34.969402
"29242"	182.981406	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M-2H+K"	36.948606
"469906"	255.997806	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M-2H+K"	36.948606
"848032"	109.965006	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-2H+K"	36.948606
"1570828"	109.965006	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+K-2H"	36.948606
"956519"	118.014594	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-H+HCOOH"	44.998194
"374371"	191.031001	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+HCOOH-H"	44.998201
"359595"	205.046651	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+Hac-H"	59.013851
"1504176"	132.030251	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Hac-H"	59.013851
"969526"	139.996551	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-H+NaCOOH"	66.980151
"118795"	107.985802	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+2Cl"	69.938804
"560549"	144.494002	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+2Cl"	69.938804
"1032260"	71.477602	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2Cl"	69.938804
"1251113"	151.935285	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Br"	78.918885
"1315382"	153.991272	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Cl+HCOOH"	80.974872
"1331054"	175.973229	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Cl+NaCOOH"	102.956829
"923939"	186.001986	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M-H+CF3COOH"	112.985586
"1294452"	221.978664	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Cl+CF3COOH"	148.962264
"1372613"	38.003724	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H-2H2O"	-35.012676
"1390109"	56.0137	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H-H2O"	-17.0027
"295262"	147.040076	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+H"	1.007276
"684404"	220.056476	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+H"	1.007276
"1358565"	74.023676	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H"	1.007276
"127804"	74.023676	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+2H"	2.014552
"567366"	110.531876	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+2H"	2.014552
"1037984"	37.515476	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2H"	2.014552
"205281"	49.684876	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+3H"	3.021828
"645565"	74.023676	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+3H"	3.021828
"1164665"	25.346076	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+3H"	3.021828
"426476"	164.066623	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+NH4"	18.033823
"787107"	237.083023	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+NH4"	18.033823
"1682706"	91.050223	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+NH4"	18.033823
"330988"	82.5369495	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+H+NH4"	19.041099
"732171"	119.0451495	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+H+NH4"	19.041099
"1480521"	46.0287495	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H+NH4"	19.041099
"399197"	169.022018	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+Na"	22.989218
"764576"	242.038418	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+Na"	22.989218
"1613767"	96.005618	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Na"	22.989218
"324898"	85.014647	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+H+Na"	23.996494
"714040"	121.522847	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+H+Na"	23.996494
"1468954"	48.506447	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H+Na"	23.996494
"1065480"	32.67339	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2H+Na"	25.00377
"1269346"	106.049886	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+CH3OH+H"	33.033486
"390839"	184.995958	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+K"	38.963158
"750011"	258.012358	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+K"	38.963158
"1550974"	111.979558	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+K"	38.963158
"308150"	93.001617	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+H+K"	39.970434
"704944"	129.509817	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+H+K"	39.970434
"1449284"	56.493417	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H+K"	39.970434
"237886"	188.066626	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+ACN+H"	42.033826
"1211445"	115.050226	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+ACN+H"	42.033826
"1197398"	58.028751	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+ACN+2H"	43.041102
"191364"	191.00396	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+2Na-H"	44.97116
"629338"	264.02036	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+2Na-H"	44.97116
"1132233"	117.98756	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2Na-H"	44.97116
"173828"	96.005618	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+2Na"	45.978436
"614606"	132.513818	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+2Na"	45.978436
"1116774"	59.497418	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2Na"	45.978436
"1399199"	40.000704	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H+2Na"	46.985712
"1430833"	120.029146	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H+HCOOH"	47.012746
"222846"	101.03864	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+3H2O+2H"	56.04448
"1509325"	134.08119	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+IsoProp+H"	61.06479
"414972"	103.992588	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+Na+K"	61.952376
"774874"	140.500788	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+Na+K"	61.952376
"1666952"	67.484388	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Na+K"	61.952376
"254074"	210.048568	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+ACN+Na"	64.015768
"1234810"	137.032168	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+ACN+Na"	64.015768
"1721507"	137.055693	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+NH4+HCOOH"	64.039293
"1191240"	47.328018	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+3Na"	68.967654
"1662227"	142.011088	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Na+HCOOH"	68.994688
"167995"	222.95184	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+2K-H"	76.91904
"608650"	295.96824	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+2K-H"	76.91904
"1093163"	149.93544	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2K-H"	76.91904
"148885"	111.979558	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"2M+2K"	77.926316
"587353"	148.487758	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"3M+2K"	77.926316
"1075146"	75.471358	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2K"	77.926316
"1108354"	151.949992	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2K+H"	78.933592
"1341461"	152.037607	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+DMSO+H"	79.021207
"1009989"	156.076776	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2ACN+H"	83.060376
"1529205"	157.070408	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+IsoProp+Na+H"	84.054008
"992377"	78.542026	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+2ACN+2H"	84.067652
"1588458"	157.985028	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+K+HCOOH"	84.968628
"1415822"	188.016538	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+H+CF3COOH"	115.000138
"1154862"	99.055301	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+3ACN+2H"	125.094202
"1706599"	205.043085	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+NH4+CF3COOH"	132.026685
"1641157"	209.99848	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+Na+CF3COOH"	136.98208
"1582274"	225.97242	"C15809"	"Iminoglycine;Iminoacetic acid;2-Iminoacetate"	"C2H3NO2"	"73.0164"	"M+K+CF3COOH"	152.95602
"811553"	396.3392	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M"	0
"985085"	377.32081	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-H2O-H"	-19.01839
"72237"	263.218857333333	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M-3H"	-3.021828
"509611"	395.331924	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M-3H"	-3.021828
"884133"	131.105790666667	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-3H"	-3.021828
"2710"	395.331924	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M-2H"	-2.014552
"442270"	593.501524	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M-2H"	-2.014552
"823350"	197.162324	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-2H"	-2.014552
"79088"	791.671124	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M-H"	-1.007276
"518891"	1188.010324	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M-H"	-1.007276
"895962"	395.331924	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-H"	-1.007276
"47178"	808.697671	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M-2H+NH4"	16.019271
"502448"	1205.036871	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M-2H+NH4"	16.019271
"879825"	412.358471	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-2H+NH4"	16.019271
"46573"	813.653066	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M-2H+Na"	20.974666
"486124"	1209.992266	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M-2H+Na"	20.974666
"863435"	417.313866	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-2H+Na"	20.974666
"1633868"	417.313866	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Na-2H"	20.974666
"109986"	413.320263	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M-H+Cl"	33.962126
"548814"	611.489863	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M-H+Cl"	33.962126
"937955"	215.150663	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-H+Cl"	33.962126
"277606"	827.647802	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+Cl"	34.969402
"665653"	1223.987002	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+Cl"	34.969402
"1283523"	431.308602	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Cl"	34.969402
"27172"	829.627006	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M-2H+K"	36.948606
"467826"	1225.966206	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M-2H+K"	36.948606
"847090"	433.287806	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-2H+K"	36.948606
"1570496"	433.287806	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+K-2H"	36.948606
"952621"	441.337394	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-H+HCOOH"	44.998194
"375941"	837.676601	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+HCOOH-H"	44.998201
"348165"	851.692251	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+Hac-H"	59.013851
"1493838"	455.353051	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Hac-H"	59.013851
"960285"	463.319351	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-H+NaCOOH"	66.980151
"111502"	431.308602	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+2Cl"	69.938804
"551062"	629.478202	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+2Cl"	69.938804
"1021801"	233.139002	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2Cl"	69.938804
"1242833"	475.258085	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Br"	78.918885
"1304557"	477.314072	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Cl+HCOOH"	80.974872
"1320838"	499.296029	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Cl+NaCOOH"	102.956829
"920039"	509.324786	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M-H+CF3COOH"	112.985586
"1290188"	545.301464	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Cl+CF3COOH"	148.962264
"1380376"	361.326524	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H-2H2O"	-35.012676
"1393500"	379.3365	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H-H2O"	-17.0027
"290999"	793.685676	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+H"	1.007276
"686701"	1190.024876	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+H"	1.007276
"1364144"	397.346476	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H"	1.007276
"130471"	397.346476	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+2H"	2.014552
"568937"	595.516076	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+2H"	2.014552
"1044298"	199.176876	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2H"	2.014552
"219705"	265.233409333333	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+3H"	3.021828
"659508"	397.346476	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+3H"	3.021828
"1176090"	133.120342666667	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+3H"	3.021828
"435353"	810.712223	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+NH4"	18.033823
"800933"	1207.051423	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+NH4"	18.033823
"1695964"	414.373023	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+NH4"	18.033823
"344246"	405.8597495	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+H+NH4"	19.041099
"737391"	604.0293495	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+H+NH4"	19.041099
"1488295"	207.6901495	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H+NH4"	19.041099
"404788"	815.667618	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+Na"	22.989218
"766879"	1212.006818	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+Na"	22.989218
"1613885"	419.328418	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Na"	22.989218
"327200"	408.337447	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+H+Na"	23.996494
"716342"	606.507047	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+H+Na"	23.996494
"1470163"	210.167847	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H+Na"	23.996494
"1060128"	140.447656666667	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2H+Na"	25.00377
"1259617"	429.372686	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+CH3OH+H"	33.033486
"381473"	831.641558	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+K"	38.963158
"743560"	1227.980758	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+K"	38.963158
"1541242"	435.302358	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+K"	38.963158
"299875"	416.324417	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+H+K"	39.970434
"698491"	614.494017	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+H+K"	39.970434
"1446842"	218.154817	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H+K"	39.970434
"238725"	834.712226	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+ACN+H"	42.033826
"1211803"	438.373026	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+ACN+H"	42.033826
"1197510"	219.690151	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+ACN+2H"	43.041102
"191476"	837.64956	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+2Na-H"	44.97116
"631041"	1233.98876	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+2Na-H"	44.97116
"1134549"	441.31036	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2Na-H"	44.97116
"178931"	419.328418	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+2Na"	45.978436
"617400"	617.498018	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+2Na"	45.978436
"1119814"	221.158818	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2Na"	45.978436
"1402245"	147.774970666667	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H+2Na"	46.985712
"1433270"	443.351946	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H+HCOOH"	47.012746
"224063"	424.36144	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+3H2O+2H"	56.04448
"1511395"	457.40399	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+IsoProp+H"	61.06479
"410717"	427.315388	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+Na+K"	61.952376
"783745"	625.484988	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+Na+K"	61.952376
"1679709"	229.145788	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Na+K"	61.952376
"257481"	856.694168	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+ACN+Na"	64.015768
"1232741"	460.354968	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+ACN+Na"	64.015768
"1716524"	460.378493	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+NH4+HCOOH"	64.039293
"1180055"	155.102284666667	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+3Na"	68.967654
"1659060"	465.333888	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Na+HCOOH"	68.994688
"158633"	869.59744	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+2K-H"	76.91904
"598682"	1265.93664	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+2K-H"	76.91904
"1086718"	473.25824	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2K-H"	76.91904
"142072"	435.302358	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"2M+2K"	77.926316
"583217"	633.471958	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"3M+2K"	77.926316
"1069298"	237.132758	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2K"	77.926316
"1107383"	475.272792	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2K+H"	78.933592
"1340486"	475.360407	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+DMSO+H"	79.021207
"1006701"	479.399576	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2ACN+H"	83.060376
"1528235"	480.393208	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+IsoProp+Na+H"	84.054008
"991033"	240.203426	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+2ACN+2H"	84.067652
"1596840"	481.307828	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+K+HCOOH"	84.968628
"1424689"	511.339338	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+H+CF3COOH"	115.000138
"1154977"	260.716701	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+3ACN+2H"	125.094202
"1706714"	528.365885	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+NH4+CF3COOH"	132.026685
"1644551"	533.32128	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+Na+CF3COOH"	136.98208
"1573640"	549.29522	"C15816"	"3-Keto-4-methylzymosterol"	"C28H44O"	"396.3392"	"M+K+CF3COOH"	152.95602
"806195"	858.2168	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M"	0
"985195"	839.19841	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-H2O-H"	-19.01839
"72347"	571.137257333333	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M-3H"	-3.021828
"513001"	857.209524	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M-3H"	-3.021828
"887523"	285.064990666667	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-3H"	-3.021828
"753"	857.209524	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M-2H"	-2.014552
"442012"	1286.317924	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M-2H"	-2.014552
"820174"	428.101124	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-2H"	-2.014552
"78872"	1715.426324	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M-H"	-1.007276
"519727"	2573.643124	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M-H"	-1.007276
"895825"	857.209524	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-H"	-1.007276
"47333"	1732.452871	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M-2H+NH4"	16.019271
"502184"	2590.669671	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M-2H+NH4"	16.019271
"879253"	874.236071	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-2H+NH4"	16.019271
"47090"	1737.408266	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M-2H+Na"	20.974666
"486229"	2595.625066	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M-2H+Na"	20.974666
"860020"	879.191466	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-2H+Na"	20.974666
"1632833"	879.191466	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Na-2H"	20.974666
"109443"	875.197863	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M-H+Cl"	33.962126
"542360"	1304.306263	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M-H+Cl"	33.962126
"935877"	446.089463	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-H+Cl"	33.962126
"276619"	1751.403002	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+Cl"	34.969402
"671229"	2609.619802	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+Cl"	34.969402
"1286789"	893.186202	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Cl"	34.969402
"29467"	1753.382206	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M-2H+K"	36.948606
"470123"	2611.599006	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M-2H+K"	36.948606
"847803"	895.165406	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-2H+K"	36.948606
"1569588"	895.165406	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+K-2H"	36.948606
"952731"	903.214994	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-H+HCOOH"	44.998194
"375321"	1761.431801	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+HCOOH-H"	44.998201
"352648"	1775.447451	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+Hac-H"	59.013851
"1499294"	917.230651	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Hac-H"	59.013851
"965741"	925.196951	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-H+NaCOOH"	66.980151
"114650"	893.186202	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+2Cl"	69.938804
"551045"	1322.294602	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+2Cl"	69.938804
"1022276"	464.077802	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2Cl"	69.938804
"1241977"	937.135685	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Br"	78.918885
"1304183"	939.191672	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Cl+HCOOH"	80.974872
"1320341"	961.173629	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Cl+NaCOOH"	102.956829
"920149"	971.202386	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M-H+CF3COOH"	112.985586
"1290420"	1007.179064	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Cl+CF3COOH"	148.962264
"1377206"	823.204124	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H-2H2O"	-35.012676
"1396526"	841.2141	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H-H2O"	-17.0027
"288922"	1717.440876	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+H"	1.007276
"685717"	2575.657676	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+H"	1.007276
"1364254"	859.224076	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H"	1.007276
"130581"	859.224076	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+2H"	2.014552
"569047"	1288.332476	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+2H"	2.014552
"1044409"	430.115676	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2H"	2.014552
"219730"	573.151809333333	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+3H"	3.021828
"656253"	859.224076	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+3H"	3.021828
"1175470"	287.079542666667	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+3H"	3.021828
"436556"	1734.467423	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+NH4"	18.033823
"796455"	2592.684223	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+NH4"	18.033823
"1693882"	876.250623	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+NH4"	18.033823
"342159"	867.7373495	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+H+NH4"	19.041099
"737624"	1296.8457495	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+H+NH4"	19.041099
"1490594"	438.6289495	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H+NH4"	19.041099
"404901"	1739.422818	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+Na"	22.989218
"765898"	2597.639618	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+Na"	22.989218
"1615090"	881.206018	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Na"	22.989218
"319656"	870.215047	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+H+Na"	23.996494
"715359"	1299.323447	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+H+Na"	23.996494
"1469178"	441.106647	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H+Na"	23.996494
"1060237"	294.406856666667	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2H+Na"	25.00377
"1260822"	891.250286	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+CH3OH+H"	33.033486
"380489"	1755.396758	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+K"	38.963158
"743673"	2613.613558	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+K"	38.963158
"1544633"	897.179958	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+K"	38.963158
"299984"	878.202017	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+H+K"	39.970434
"693133"	1307.310417	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+H+K"	39.970434
"1445980"	449.093617	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H+K"	39.970434
"237013"	1758.467426	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+ACN+H"	42.033826
"1214100"	900.250626	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+ACN+H"	42.033826
"1197255"	450.628951	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+ACN+2H"	43.041102
"197054"	1761.40476	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+2Na-H"	44.97116
"630786"	2619.62156	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+2Na-H"	44.97116
"1134292"	903.18796	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2Na-H"	44.97116
"179769"	881.206018	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+2Na"	45.978436
"618602"	1310.314418	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+2Na"	45.978436
"1119559"	452.097618	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2Na"	45.978436
"1401989"	301.734170666667	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H+2Na"	46.985712
"1433015"	905.229546	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H+HCOOH"	47.012746
"228543"	886.23904	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+3H2O+2H"	56.04448
"1513329"	919.28159	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+IsoProp+H"	61.06479
"411192"	889.192988	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+Na+K"	61.952376
"782759"	1318.301388	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+Na+K"	61.952376
"1680184"	460.084588	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Na+K"	61.952376
"260144"	1780.449368	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+ACN+Na"	64.015768
"1233945"	922.232568	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+ACN+Na"	64.015768
"1720644"	922.256093	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+NH4+HCOOH"	64.039293
"1183811"	309.061484666667	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+3Na"	68.967654
"1661357"	927.211488	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Na+HCOOH"	68.994688
"160930"	1793.35264	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+2K-H"	76.91904
"599399"	2651.56944	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+2K-H"	76.91904
"1086585"	935.13584	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2K-H"	76.91904
"142064"	897.179958	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"2M+2K"	77.926316
"584420"	1326.288358	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"3M+2K"	77.926316
"1069290"	468.071558	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2K"	77.926316
"1107493"	937.150392	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2K+H"	78.933592
"1340596"	937.238007	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+DMSO+H"	79.021207
"1007180"	941.277176	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2ACN+H"	83.060376
"1530532"	942.270808	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+IsoProp+Na+H"	84.054008
"992603"	471.142226	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+2ACN+2H"	84.067652
"1596950"	943.185428	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+K+HCOOH"	84.968628
"1425892"	973.216938	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+H+CF3COOH"	115.000138
"1150713"	491.655501	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+3ACN+2H"	125.094202
"1706824"	990.243485	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+NH4+CF3COOH"	132.026685
"1644661"	995.19888	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+Na+CF3COOH"	136.98208
"1573750"	1011.17282	"C15817"	"Heme C"	"C40H46FeN6O8S2"	"858.2168"	"M+K+CF3COOH"	152.95602
"803025"	308.1988	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M"	0
"985305"	289.18041	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-H2O-H"	-19.01839
"75737"	204.458590666667	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M-3H"	-3.021828
"512018"	307.191524	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M-3H"	-3.021828
"887633"	101.725657333333	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-3H"	-3.021828
"857"	307.191524	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M-2H"	-2.014552
"440094"	461.290924	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M-2H"	-2.014552
"818097"	153.092124	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-2H"	-2.014552
"78818"	615.390324	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M-H"	-1.007276
"518619"	923.589124	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M-H"	-1.007276
"895808"	307.191524	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-H"	-1.007276
"47141"	632.416871	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M-2H+NH4"	16.019271
"500346"	940.615671	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M-2H+NH4"	16.019271
"875960"	324.218071	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-2H+NH4"	16.019271
"39485"	637.372266	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M-2H+Na"	20.974666
"483423"	945.571066	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M-2H+Na"	20.974666
"854662"	329.173466	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-2H+Na"	20.974666
"1631121"	329.173466	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Na-2H"	20.974666
"105096"	325.179863	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M-H+Cl"	33.962126
"544656"	479.279263	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M-H+Cl"	33.962126
"938171"	171.080463	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-H+Cl"	33.962126
"273449"	651.367002	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+Cl"	34.969402
"671338"	959.565802	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+Cl"	34.969402
"1285927"	343.168202	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Cl"	34.969402
"28484"	653.346206	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M-2H+K"	36.948606
"469504"	961.545006	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M-2H+K"	36.948606
"845846"	345.147406	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-2H+K"	36.948606
"1568240"	345.147406	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+K-2H"	36.948606
"951748"	353.196994	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-H+HCOOH"	44.998194
"373245"	661.395801	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+HCOOH-H"	44.998201
"352759"	675.411451	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+Hac-H"	59.013851
"1501590"	367.212651	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Hac-H"	59.013851
"965851"	375.178951	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-H+NaCOOH"	66.980151
"114760"	343.168202	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+2Cl"	69.938804
"551034"	497.267602	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+2Cl"	69.938804
"1022383"	189.068802	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2Cl"	69.938804
"1241435"	387.117685	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Br"	78.918885
"1304328"	389.173672	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Cl+HCOOH"	80.974872
"1320211"	411.155629	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Cl+NaCOOH"	102.956829
"914793"	421.184386	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M-H+CF3COOH"	112.985586
"1291503"	457.161064	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Cl+CF3COOH"	148.962264
"1377316"	273.186124	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H-2H2O"	-35.012676
"1396999"	291.1961	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H-H2O"	-17.0027
"292312"	617.404876	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+H"	1.007276
"685827"	925.603676	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+H"	1.007276
"1362177"	309.206076	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H"	1.007276
"130691"	309.206076	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+2H"	2.014552
"566969"	463.305476	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+2H"	2.014552
"1044518"	155.106676	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2H"	2.014552
"215704"	206.473142666667	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+3H"	3.021828
"656363"	309.206076	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+3H"	3.021828
"1174487"	103.740209333333	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+3H"	3.021828
"435573"	634.431423	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+NH4"	18.033823
"794378"	942.630223	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+NH4"	18.033823
"1693628"	326.232623	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+NH4"	18.033823
"341174"	317.7193495	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+H+NH4"	19.041099
"736149"	471.8187495	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+H+NH4"	19.041099
"1487417"	163.6199495	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H+NH4"	19.041099
"401723"	639.386818	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+Na"	22.989218
"761627"	947.585618	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+Na"	22.989218
"1607537"	331.188018	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Na"	22.989218
"318673"	320.197047	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+H+Na"	23.996494
"710002"	474.296447	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+H+Na"	23.996494
"1466009"	166.097647	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H+Na"	23.996494
"1057068"	111.067523333333	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2H+Na"	25.00377
"1258136"	341.232286	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+CH3OH+H"	33.033486
"378410"	655.360758	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+K"	38.963158
"739529"	963.559558	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+K"	38.963158
"1542556"	347.161958	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+K"	38.963158
"299607"	328.184017	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+H+K"	39.970434
"692271"	482.283417	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+H+K"	39.970434
"1446454"	174.084617	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H+K"	39.970434
"236757"	658.431426	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+ACN+H"	42.033826
"1210931"	350.232626	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+ACN+H"	42.033826
"1195300"	175.619951	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+ACN+2H"	43.041102
"191697"	661.36876	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+2Na-H"	44.97116
"629678"	969.56756	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+2Na-H"	44.97116
"1133309"	353.16996	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2Na-H"	44.97116
"176964"	331.188018	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+2Na"	45.978436
"616526"	485.287418	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+2Na"	45.978436
"1118941"	177.088618	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2Na"	45.978436
"1401370"	118.394837333333	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H+2Na"	46.985712
"1434583"	355.211546	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H+HCOOH"	47.012746
"228653"	336.22104	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+3H2O+2H"	56.04448
"1513439"	369.26359	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+IsoProp+H"	61.06479
"410938"	339.174988	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+Na+K"	61.952376
"779589"	493.274388	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+Na+K"	61.952376
"1671910"	185.075588	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Na+K"	61.952376
"258066"	680.413368	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+ACN+Na"	64.015768
"1229681"	372.214568	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+ACN+Na"	64.015768
"1717838"	372.238093	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+NH4+HCOOH"	64.039293
"1179911"	125.722151333333	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+3Na"	68.967654
"1652720"	377.193488	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Na+HCOOH"	68.994688
"158726"	693.31664	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+2K-H"	76.91904
"599266"	1001.51544	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+2K-H"	76.91904
"1085967"	385.11784	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2K-H"	76.91904
"141929"	347.161958	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"2M+2K"	77.926316
"583437"	501.261358	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"3M+2K"	77.926316
"1068671"	193.062558	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2K"	77.926316
"1106510"	387.132392	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2K+H"	78.933592
"1340705"	387.220007	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+DMSO+H"	79.021207
"1007169"	391.259176	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2ACN+H"	83.060376
"1529549"	392.252808	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+IsoProp+Na+H"	84.054008
"991011"	196.133226	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+2ACN+2H"	84.067652
"1597060"	393.167428	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+K+HCOOH"	84.968628
"1426002"	423.198938	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+H+CF3COOH"	115.000138
"1156290"	216.646501	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+3ACN+2H"	125.094202
"1706934"	440.225485	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+NH4+CF3COOH"	132.026685
"1641491"	445.18088	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+Na+CF3COOH"	136.98208
"1573860"	461.15482	"C15818"	"Soraphen O"	"C18H28O4"	"308.1988"	"M+K+CF3COOH"	152.95602
"804592"	1291.4203	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M"	0
"985415"	1272.40191	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-H2O-H"	-19.01839
"75847"	859.939590666667	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M-3H"	-3.021828
"513221"	1290.413024	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M-3H"	-3.021828
"887743"	429.466157333333	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-3H"	-3.021828
"2667"	1290.413024	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M-2H"	-2.014552
"443691"	1936.123174	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M-2H"	-2.014552
"818936"	644.702874	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-2H"	-2.014552
"80022"	2581.833324	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M-H"	-1.007276
"519458"	3873.253624	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M-H"	-1.007276
"896407"	1290.413024	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-H"	-1.007276
"47625"	2598.859871	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M-2H+NH4"	16.019271
"500455"	3890.280171	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M-2H+NH4"	16.019271
"878258"	1307.439571	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-2H+NH4"	16.019271
"43969"	2603.815266	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M-2H+Na"	20.974666
"483533"	3895.235566	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M-2H+Na"	20.974666
"860968"	1312.394966	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-2H+Na"	20.974666
"1630500"	1312.394966	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Na-2H"	20.974666
"106665"	1308.401363	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M-H+Cl"	33.962126
"541486"	1954.111513	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M-H+Cl"	33.962126
"938281"	662.691213	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-H+Cl"	33.962126
"276839"	2617.810002	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+Cl"	34.969402
"673634"	3909.230302	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+Cl"	34.969402
"1284944"	1326.389702	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Cl"	34.969402
"27500"	2619.789206	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M-2H+K"	36.948606
"465966"	3911.209506	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M-2H+K"	36.948606
"845955"	1328.368906	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-2H+K"	36.948606
"1567256"	1328.368906	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+K-2H"	36.948606
"946391"	1336.418494	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-H+HCOOH"	44.998194
"370075"	2627.838801	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+HCOOH-H"	44.998201
"360159"	2641.854451	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+Hac-H"	59.013851
"1505345"	1350.434151	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Hac-H"	59.013851
"968148"	1358.400451	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-H+NaCOOH"	66.980151
"115963"	1326.389702	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+2Cl"	69.938804
"551873"	1972.099852	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+2Cl"	69.938804
"1023953"	680.679552	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2Cl"	69.938804
"1243166"	1370.339185	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Br"	78.918885
"1305615"	1372.395172	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Cl+HCOOH"	80.974872
"1323111"	1394.377129	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Cl+NaCOOH"	102.956829
"917089"	1404.405886	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M-H+CF3COOH"	112.985586
"1291976"	1440.382564	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Cl+CF3COOH"	148.962264
"1374147"	1256.407624	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H-2H2O"	-35.012676
"1391643"	1274.4176	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H-H2O"	-17.0027
"291328"	2583.847876	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+H"	1.007276
"684844"	3875.268176	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+H"	1.007276
"1361193"	1292.427576	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H"	1.007276
"130799"	1292.427576	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+2H"	2.014552
"570361"	1938.137726	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+2H"	2.014552
"1042439"	646.717426	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2H"	2.014552
"219873"	861.954142666667	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+3H"	3.021828
"656471"	1292.427576	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+3H"	3.021828
"1171316"	431.480709333333	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+3H"	3.021828
"438963"	2600.874423	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+NH4"	18.033823
"795582"	3892.294723	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+NH4"	18.033823
"1696496"	1309.454123	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+NH4"	18.033823
"345459"	1300.9408495	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+H+NH4"	19.041099
"736624"	1946.6509995	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+H+NH4"	19.041099
"1490444"	655.2306995	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H+NH4"	19.041099
"401833"	2605.829818	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+Na"	22.989218
"759550"	3897.250118	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+Na"	22.989218
"1608740"	1314.409518	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Na"	22.989218
"319872"	1303.418547	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+H+Na"	23.996494
"710112"	1949.128697	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+H+Na"	23.996494
"1465026"	657.708397	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H+Na"	23.996494
"1058272"	438.808023333333	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2H+Na"	25.00377
"1257759"	1324.453786	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+CH3OH+H"	33.033486
"379979"	2621.803758	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+K"	38.963158
"739883"	3913.224058	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+K"	38.963158
"1542666"	1330.383458	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+K"	38.963158
"299719"	1311.405517	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+H+K"	39.970434
"692746"	1957.115667	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+H+K"	39.970434
"1449359"	665.695367	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H+K"	39.970434
"237114"	2624.874426	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+ACN+H"	42.033826
"1211283"	1333.454126	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+ACN+H"	42.033826
"1194327"	667.230701	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+ACN+2H"	43.041102
"192537"	2627.81176	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+2Na-H"	44.97116
"631004"	3919.23206	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+2Na-H"	44.97116
"1133054"	1336.39146	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2Na-H"	44.97116
"175615"	1314.409518	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+2Na"	45.978436
"615541"	1960.119668	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+2Na"	45.978436
"1123424"	668.699368	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2Na"	45.978436
"1403667"	446.135337333333	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H+2Na"	46.985712
"1433963"	1338.433046	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H+HCOOH"	47.012746
"229857"	1319.44254	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+3H2O+2H"	56.04448
"1515735"	1352.48509	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+IsoProp+H"	61.06479
"413234"	1322.396488	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+Na+K"	61.952376
"779699"	1968.106638	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+Na+K"	61.952376
"1672750"	676.686338	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Na+K"	61.952376
"254166"	2646.856368	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+ACN+Na"	64.015768
"1227604"	1355.436068	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+ACN+Na"	64.015768
"1714668"	1355.459593	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+NH4+HCOOH"	64.039293
"1179291"	453.462651333333	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+3Na"	68.967654
"1650760"	1360.414988	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Na+HCOOH"	68.994688
"158715"	2659.75964	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+2K-H"	76.91904
"597793"	3951.17994	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+2K-H"	76.91904
"1084861"	1368.33934	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2K-H"	76.91904
"141795"	1330.383458	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"2M+2K"	77.926316
"581966"	1976.093608	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"3M+2K"	77.926316
"1068903"	684.673308	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2K"	77.926316
"1106620"	1370.353892	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2K+H"	78.933592
"1338629"	1370.441507	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+DMSO+H"	79.021207
"1007158"	1374.480676	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2ACN+H"	83.060376
"1528566"	1375.474308	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+IsoProp+Na+H"	84.054008
"990636"	687.743976	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+2ACN+2H"	84.067652
"1594984"	1376.388928	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+K+HCOOH"	84.968628
"1423926"	1406.420438	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+H+CF3COOH"	115.000138
"1158586"	708.257251	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+3ACN+2H"	125.094202
"1705951"	1423.446985	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+NH4+CF3COOH"	132.026685
"1641601"	1428.40238	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+Na+CF3COOH"	136.98208
"1576158"	1444.37632	"C15819"	"FK463;Micafungin sodium"	"C56H70N9O23SNa"	"1291.4203"	"M+K+CF3COOH"	152.95602
"813087"	767.4092	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M"	0
"977874"	748.39081	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-H2O-H"	-19.01839
"71587"	510.598857333333	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M-3H"	-3.021828
"507867"	766.401924	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M-3H"	-3.021828
"883477"	254.795790666667	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-3H"	-3.021828
"3145"	766.401924	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M-2H"	-2.014552
"441368"	1150.106524	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M-2H"	-2.014552
"819171"	382.697324	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-2H"	-2.014552
"80134"	1533.811124	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M-H"	-1.007276
"518919"	2301.220324	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M-H"	-1.007276
"902243"	766.401924	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-H"	-1.007276
"61253"	1550.837671	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M-2H+NH4"	16.019271
"497285"	2318.246871	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M-2H+NH4"	16.019271
"875087"	783.428471	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-2H+NH4"	16.019271
"42988"	1555.793066	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M-2H+Na"	20.974666
"482545"	2323.202266	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M-2H+Na"	20.974666
"859984"	788.383866	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-2H+Na"	20.974666
"1629884"	788.383866	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Na-2H"	20.974666
"104224"	784.390263	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M-H+Cl"	33.962126
"539411"	1168.094863	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M-H+Cl"	33.962126
"930738"	400.685663	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-H+Cl"	33.962126
"271481"	1569.787802	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+Cl"	34.969402
"669370"	2337.197002	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+Cl"	34.969402
"1281772"	802.378602	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Cl"	34.969402
"25422"	1571.767006	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M-2H+K"	36.948606
"463890"	2339.176206	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M-2H+K"	36.948606
"846065"	804.357806	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-2H+K"	36.948606
"1564086"	804.357806	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+K-2H"	36.948606
"953064"	812.407394	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-H+HCOOH"	44.998194
"375898"	1579.816601	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+HCOOH-H"	44.998201
"358446"	1593.832251	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+Hac-H"	59.013851
"1504727"	826.423051	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Hac-H"	59.013851
"968258"	834.389351	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-H+NaCOOH"	66.980151
"112062"	802.378602	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+2Cl"	69.938804
"551257"	1186.083202	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+2Cl"	69.938804
"1025525"	418.674002	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2Cl"	69.938804
"1246197"	846.328085	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Br"	78.918885
"1306458"	848.384072	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Cl+HCOOH"	80.974872
"1325047"	870.366029	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Cl+NaCOOH"	102.956829
"913188"	880.394786	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M-H+CF3COOH"	112.985586
"1292447"	916.371464	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Cl+CF3COOH"	148.962264
"1369151"	732.396524	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H-2H2O"	-35.012676
"1387377"	750.4065	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H-H2O"	-17.0027
"289252"	1535.825676	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+H"	1.007276
"681672"	2303.234876	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+H"	1.007276
"1355833"	768.416476	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H"	1.007276
"136379"	768.416476	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+2H"	2.014552
"575939"	1152.121076	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+2H"	2.014552
"1052689"	384.711876	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2H"	2.014552
"219210"	512.613409333333	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+3H"	3.021828
"657678"	768.416476	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+3H"	3.021828
"1175436"	256.810342666667	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+3H"	3.021828
"436521"	1552.852223	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+NH4"	18.033823
"795692"	2320.261423	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+NH4"	18.033823
"1694577"	785.443023	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+NH4"	18.033823
"340303"	776.9297495	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+H+NH4"	19.041099
"734910"	1160.6343495	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+H+NH4"	19.041099
"1486548"	393.2251495	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H+NH4"	19.041099
"400851"	1557.807618	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+Na"	22.989218
"761847"	2325.216818	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+Na"	22.989218
"1610307"	790.398418	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Na"	22.989218
"322172"	779.407447	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+H+Na"	23.996494
"713502"	1163.112047	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+H+Na"	23.996494
"1466228"	395.702847	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H+Na"	23.996494
"1061660"	264.137656666667	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2H+Na"	25.00377
"1261151"	800.442686	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+CH3OH+H"	33.033486
"384101"	1573.781558	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+K"	38.963158
"746190"	2341.190758	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+K"	38.963158
"1540710"	806.372358	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+K"	38.963158
"302138"	787.394417	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+H+K"	39.970434
"691761"	1171.099017	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+H+K"	39.970434
"1446313"	403.689817	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H+K"	39.970434
"236371"	1576.852226	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+ACN+H"	42.033826
"1212609"	809.443026	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+ACN+H"	42.033826
"1195276"	405.225151	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+ACN+2H"	43.041102
"190823"	1579.78956	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+2Na-H"	44.97116
"630748"	2347.19876	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+2Na-H"	44.97116
"1135353"	812.38036	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2Na-H"	44.97116
"176090"	790.398418	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+2Na"	45.978436
"621122"	1174.103018	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+2Na"	45.978436
"1125722"	406.693818	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2Na"	45.978436
"1403777"	271.464970666667	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H+2Na"	46.985712
"1438083"	814.421946	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H+HCOOH"	47.012746
"228874"	795.43144	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+3H2O+2H"	56.04448
"1514751"	828.47399	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+IsoProp+H"	61.06479
"411158"	798.385388	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+Na+K"	61.952376
"778715"	1182.089988	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+Na+K"	61.952376
"1672860"	414.680788	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Na+K"	61.952376
"261567"	1598.834168	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+ACN+Na"	64.015768
"1235735"	831.424968	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+ACN+Na"	64.015768
"1715871"	831.448493	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+NH4+HCOOH"	64.039293
"1179158"	278.792284666667	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+3Na"	68.967654
"1650993"	836.403888	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Na+HCOOH"	68.994688
"157972"	1611.73744	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+2K-H"	76.91904
"597534"	2379.14664	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+2K-H"	76.91904
"1084725"	844.32824	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2K-H"	76.91904
"145074"	806.372358	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"2M+2K"	77.926316
"585727"	1190.076958	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"3M+2K"	77.926316
"1074616"	422.667758	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2K"	77.926316
"1107823"	846.342792	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2K+H"	78.933592
"1339833"	846.430407	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+DMSO+H"	79.021207
"1012739"	850.469576	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2ACN+H"	83.060376
"1529768"	851.463208	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+IsoProp+Na+H"	84.054008
"998407"	425.738426	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+2ACN+2H"	84.067652
"1599472"	852.377828	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+K+HCOOH"	84.968628
"1422941"	882.409338	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+H+CF3COOH"	115.000138
"1156510"	446.251701	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+3ACN+2H"	125.094202
"1701686"	899.435885	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+NH4+CF3COOH"	132.026685
"1636242"	904.39128	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+Na+CF3COOH"	136.98208
"1582831"	920.36522	"C15821"	"Rimocidine"	"C39H61NO14"	"767.4092"	"M+K+CF3COOH"	152.95602
"813197"	739.3779	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M"	0
"977255"	720.35951	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-H2O-H"	-19.01839
"72790"	491.911324	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M-3H"	-3.021828
"507977"	738.370624	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M-3H"	-3.021828
"881401"	245.452024	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-3H"	-3.021828
"2162"	738.370624	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M-2H"	-2.014552
"441357"	1108.059574	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M-2H"	-2.014552
"817580"	368.681674	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-2H"	-2.014552
"80244"	1477.748524	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M-H"	-1.007276
"519073"	2217.126424	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M-H"	-1.007276
"901260"	738.370624	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-H"	-1.007276
"61484"	1494.775071	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M-2H+NH4"	16.019271
"500675"	2234.152971	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M-2H+NH4"	16.019271
"876290"	755.397171	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-2H+NH4"	16.019271
"44919"	1499.730466	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M-2H+Na"	20.974666
"482655"	2239.108366	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M-2H+Na"	20.974666
"857178"	760.352566	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-2H+Na"	20.974666
"1632180"	760.352566	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Na-2H"	20.974666
"99231"	756.358963	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M-H+Cl"	33.962126
"538062"	1126.047913	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M-H+Cl"	33.962126
"931212"	386.670013	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-H+Cl"	33.962126
"272685"	1513.725202	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+Cl"	34.969402
"667293"	2253.103102	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+Cl"	34.969402
"1281882"	774.347302	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Cl"	34.969402
"25532"	1515.704406	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M-2H+K"	36.948606
"464000"	2255.082306	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M-2H+K"	36.948606
"845082"	776.326506	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-2H+K"	36.948606
"1562008"	776.326506	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+K-2H"	36.948606
"953174"	784.376094	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-H+HCOOH"	44.998194
"372483"	1523.754001	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+HCOOH-H"	44.998201
"358922"	1537.769651	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+Hac-H"	59.013851
"1504108"	798.391751	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Hac-H"	59.013851
"969462"	806.358051	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-H+NaCOOH"	66.980151
"115089"	774.347302	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+2Cl"	69.938804
"551367"	1144.036252	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+2Cl"	69.938804
"1026729"	404.658352	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2Cl"	69.938804
"1245214"	818.296785	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Br"	78.918885
"1306204"	820.352772	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Cl+HCOOH"	80.974872
"1325157"	842.334729	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Cl+NaCOOH"	102.956829
"911881"	852.363486	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M-H+CF3COOH"	112.985586
"1295109"	888.340164	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Cl+CF3COOH"	148.962264
"1368532"	704.365224	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H-2H2O"	-35.012676
"1384207"	722.3752	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H-H2O"	-17.0027
"286082"	1479.763076	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+H"	1.007276
"681782"	2219.140976	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+H"	1.007276
"1354850"	740.385176	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H"	1.007276
"135396"	740.385176	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+2H"	2.014552
"571675"	1110.074126	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+2H"	2.014552
"1052389"	370.696226	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2H"	2.014552
"218591"	493.925876	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+3H"	3.021828
"658152"	740.385176	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+3H"	3.021828
"1175910"	247.466576	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+3H"	3.021828
"431528"	1496.789623	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+NH4"	18.033823
"794709"	2236.167523	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+NH4"	18.033823
"1694323"	757.411723	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+NH4"	18.033823
"342236"	748.8984495	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+H+NH4"	19.041099
"734657"	1118.5873995	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+H+NH4"	19.041099
"1483011"	379.2094995	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H+NH4"	19.041099
"399868"	1501.745018	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+Na"	22.989218
"761957"	2241.122918	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+Na"	22.989218
"1607866"	762.367118	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Na"	22.989218
"320090"	751.376147	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+H+Na"	23.996494
"712519"	1121.065097	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+H+Na"	23.996494
"1467432"	381.687197	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H+Na"	23.996494
"1062863"	254.79389	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2H+Na"	25.00377
"1263448"	772.411386	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+CH3OH+H"	33.033486
"384211"	1517.718958	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+K"	38.963158
"745206"	2257.096858	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+K"	38.963158
"1541064"	778.341058	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+K"	38.963158
"302248"	759.363117	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+H+K"	39.970434
"691992"	1129.052067	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+H+K"	39.970434
"1446098"	389.674167	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H+K"	39.970434
"235953"	1520.789626	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+ACN+H"	42.033826
"1211261"	781.411726	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+ACN+H"	42.033826
"1194776"	391.209501	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+ACN+2H"	43.041102
"189716"	1523.72696	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+2Na-H"	44.97116
"628667"	2263.10486	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+2Na-H"	44.97116
"1136190"	784.34906	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2Na-H"	44.97116
"178023"	762.367118	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+2Na"	45.978436
"621232"	1132.056068	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+2Na"	45.978436
"1126925"	392.678168	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2Na"	45.978436
"1402794"	262.121204	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H+2Na"	46.985712
"1438193"	786.390646	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H+HCOOH"	47.012746
"232263"	767.40014	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+3H2O+2H"	56.04448
"1518140"	800.44269	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+IsoProp+H"	61.06479
"416734"	770.354088	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+Na+K"	61.952376
"783198"	1140.043038	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+Na+K"	61.952376
"1678435"	400.665138	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Na+K"	61.952376
"264956"	1542.771568	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+ACN+Na"	64.015768
"1238395"	803.393668	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+ACN+Na"	64.015768
"1717804"	803.417193	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+NH4+HCOOH"	64.039293
"1180604"	269.448518	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+3Na"	68.967654
"1652684"	808.372588	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Na+HCOOH"	68.994688
"157598"	1555.67484	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+2K-H"	76.91904
"597767"	2295.05274	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+2K-H"	76.91904
"1084836"	816.29694	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2K-H"	76.91904
"150649"	778.341058	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"2M+2K"	77.926316
"588022"	1148.030008	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"3M+2K"	77.926316
"1078005"	408.652108	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2K"	77.926316
"1109026"	818.311492	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2K+H"	78.933592
"1339943"	818.399107	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+DMSO+H"	79.021207
"1017586"	822.438276	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2ACN+H"	83.060376
"1529878"	823.431908	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+IsoProp+Na+H"	84.054008
"999610"	411.722776	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+2ACN+2H"	84.067652
"1598489"	824.346528	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+K+HCOOH"	84.968628
"1423051"	854.378038	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+H+CF3COOH"	115.000138
"1158807"	432.236051	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+3ACN+2H"	125.094202
"1701796"	871.404585	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+NH4+CF3COOH"	132.026685
"1636352"	876.35998	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+Na+CF3COOH"	136.98208
"1582941"	892.33392	"C15822"	"CE-108"	"C37H57NO14"	"739.3779"	"M+K+CF3COOH"	152.95602
"813307"	475.2934	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M"	0
"977001"	456.27501	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-H2O-H"	-19.01839
"72900"	315.854990666667	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M-3H"	-3.021828
"509180"	474.286124	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M-3H"	-3.021828
"884790"	157.423857333333	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-3H"	-3.021828
"1178"	474.286124	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M-2H"	-2.014552
"441832"	711.932824	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M-2H"	-2.014552
"817201"	236.639424	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-2H"	-2.014552
"78728"	949.579524	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M-H"	-1.007276
"518814"	1424.872924	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M-H"	-1.007276
"901369"	474.286124	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-H"	-1.007276
"62826"	966.606071	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M-2H+NH4"	16.019271
"500419"	1441.899471	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M-2H+NH4"	16.019271
"878222"	491.312671	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-2H+NH4"	16.019271
"45029"	971.561466	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M-2H+Na"	20.974666
"482766"	1446.854866	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M-2H+Na"	20.974666
"859111"	496.268066	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-2H+Na"	20.974666
"1629010"	496.268066	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Na-2H"	20.974666
"100070"	492.274463	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M-H+Cl"	33.962126
"537443"	729.921163	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M-H+Cl"	33.962126
"933144"	254.627763	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-H+Cl"	33.962126
"271700"	985.556202	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+Cl"	34.969402
"671776"	1460.849602	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+Cl"	34.969402
"1279805"	510.262802	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Cl"	34.969402
"25642"	987.535406	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M-2H+K"	36.948606
"464110"	1462.828806	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M-2H+K"	36.948606
"847378"	512.242006	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-2H+K"	36.948606
"1562118"	512.242006	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+K-2H"	36.948606
"953284"	520.291594	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-H+HCOOH"	44.998194
"372593"	995.585001	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+HCOOH-H"	44.998201
"360489"	1009.600651	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+Hac-H"	59.013851
"1505311"	534.307251	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Hac-H"	59.013851
"970664"	542.273551	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-H+NaCOOH"	66.980151
"120667"	510.262802	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+2Cl"	69.938804
"551478"	747.909502	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+2Cl"	69.938804
"1030119"	272.616102	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2Cl"	69.938804
"1247511"	554.212285	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Br"	78.918885
"1312146"	556.268272	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Cl+HCOOH"	80.974872
"1329641"	578.250229	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Cl+NaCOOH"	102.956829
"919606"	588.278986	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M-H+CF3COOH"	112.985586
"1298499"	624.255664	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Cl+CF3COOH"	148.962264
"1374475"	440.280724	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H-2H2O"	-35.012676
"1384317"	458.2907	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H-H2O"	-17.0027
"286192"	951.594076	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+H"	1.007276
"681892"	1426.887476	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+H"	1.007276
"1354960"	476.300676	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H"	1.007276
"134413"	476.300676	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+2H"	2.014552
"571785"	713.947376	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+2H"	2.014552
"1052013"	238.653976	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2H"	2.014552
"219390"	317.869542666667	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+3H"	3.021828
"659112"	476.300676	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+3H"	3.021828
"1175778"	159.438409333333	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+3H"	3.021828
"436011"	968.620623	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+NH4"	18.033823
"798828"	1443.914023	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+NH4"	18.033823
"1694433"	493.327223	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+NH4"	18.033823
"341618"	484.8139495	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+H+NH4"	19.041099
"734404"	722.4606495	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+H+NH4"	19.041099
"1483486"	247.1672495	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H+NH4"	19.041099
"401071"	973.576018	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+Na"	22.989218
"762067"	1448.869418	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+Na"	22.989218
"1610163"	498.282618	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Na"	22.989218
"321293"	487.291647	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+H+Na"	23.996494
"714817"	724.938347	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+H+Na"	23.996494
"1466449"	249.644947	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H+Na"	23.996494
"1066255"	166.765723333333	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2H+Na"	25.00377
"1266840"	508.326886	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+CH3OH+H"	33.033486
"386508"	989.549958	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+K"	38.963158
"745317"	1464.843358	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+K"	38.963158
"1542996"	514.256558	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+K"	38.963158
"299075"	495.278617	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+H+K"	39.970434
"691535"	732.925317	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+H+K"	39.970434
"1445650"	257.631917	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H+K"	39.970434
"235735"	992.620626	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+ACN+H"	42.033826
"1210643"	517.327226	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+ACN+H"	42.033826
"1194304"	259.167251	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+ACN+2H"	43.041102
"188607"	995.55796	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+2Na-H"	44.97116
"634254"	1470.85136	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+2Na-H"	44.97116
"1134477"	520.26456	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2Na-H"	44.97116
"175944"	498.282618	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+2Na"	45.978436
"621342"	735.929318	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+2Na"	45.978436
"1124849"	260.635918	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2Na"	45.978436
"1407278"	174.093037333333	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H+2Na"	46.985712
"1435021"	522.306146	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H+HCOOH"	47.012746
"234317"	503.31564	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+3H2O+2H"	56.04448
"1513146"	536.35819	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+IsoProp+H"	61.06479
"416842"	506.269588	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+Na+K"	61.952376
"777838"	743.916288	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+Na+K"	61.952376
"1674170"	268.622888	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Na+K"	61.952376
"263972"	1014.602568	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+ACN+Na"	64.015768
"1237778"	539.309168	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+ACN+Na"	64.015768
"1717914"	539.332693	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+NH4+HCOOH"	64.039293
"1180349"	181.420351333333	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+3Na"	68.967654
"1650971"	544.288088	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Na+HCOOH"	68.994688
"158564"	1027.50584	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+2K-H"	76.91904
"597636"	1502.79924	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+2K-H"	76.91904
"1084705"	552.21244	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2K-H"	76.91904
"147478"	514.256558	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"2M+2K"	77.926316
"588132"	751.903258	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"3M+2K"	77.926316
"1079208"	276.609858	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2K"	77.926316
"1110229"	554.226992	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2K+H"	78.933592
"1340053"	554.314607	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+DMSO+H"	79.021207
"1018424"	558.353776	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2ACN+H"	83.060376
"1526708"	559.347408	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+IsoProp+Na+H"	84.054008
"1002998"	279.680526	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+2ACN+2H"	84.067652
"1600056"	560.262028	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+K+HCOOH"	84.968628
"1422068"	590.293538	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+H+CF3COOH"	115.000138
"1156730"	300.193801	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+3ACN+2H"	125.094202
"1698990"	607.320085	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+NH4+CF3COOH"	132.026685
"1638650"	612.27548	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+Na+CF3COOH"	136.98208
"1583051"	628.24942	"C15823"	"Progeldanamycin"	"C27H41NO6"	"475.2934"	"M+K+CF3COOH"	152.95602
"813417"	829.3389	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M"	0
"977111"	810.32051	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-H2O-H"	-19.01839
"71917"	551.885324	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M-3H"	-3.021828
"507104"	828.331624	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M-3H"	-3.021828
"880322"	275.439024	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-3H"	-3.021828
"1290"	828.331624	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M-2H"	-2.014552
"440275"	1243.001074	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M-2H"	-2.014552
"817307"	413.662174	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-2H"	-2.014552
"79041"	1657.670524	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M-H"	-1.007276
"519047"	2487.009424	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M-H"	-1.007276
"901479"	828.331624	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-H"	-1.007276
"59875"	1674.697071	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M-2H+NH4"	16.019271
"499072"	2504.035971	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M-2H+NH4"	16.019271
"876146"	845.358171	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-2H+NH4"	16.019271
"42953"	1679.652466	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M-2H+Na"	20.974666
"482147"	2508.991366	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M-2H+Na"	20.974666
"859221"	850.313566	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-2H+Na"	20.974666
"1628027"	850.313566	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Na-2H"	20.974666
"100180"	846.319963	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M-H+Cl"	33.962126
"540833"	1260.989413	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M-H+Cl"	33.962126
"933254"	431.650513	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-H+Cl"	33.962126
"272903"	1693.647202	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+Cl"	34.969402
"665325"	2522.986102	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+Cl"	34.969402
"1279915"	864.308302	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Cl"	34.969402
"25752"	1695.626406	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M-2H+K"	36.948606
"466406"	2524.965306	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M-2H+K"	36.948606
"844208"	866.287506	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-2H+K"	36.948606
"1562228"	866.287506	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+K-2H"	36.948606
"947926"	874.337094	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-H+HCOOH"	44.998194
"363955"	1703.676001	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+HCOOH-H"	44.998201
"354401"	1717.691651	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+Hac-H"	59.013851
"1502139"	888.352751	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Hac-H"	59.013851
"968587"	896.319051	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-H+NaCOOH"	66.980151
"117496"	864.308302	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+2Cl"	69.938804
"551345"	1278.977752	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+2Cl"	69.938804
"1030229"	449.638852	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2Cl"	69.938804
"1250901"	908.257785	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Br"	78.918885
"1314442"	910.313772	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Cl+HCOOH"	80.974872
"1328657"	932.295729	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Cl+NaCOOH"	102.956829
"914248"	942.324486	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M-H+CF3COOH"	112.985586
"1292049"	978.301164	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Cl+CF3COOH"	148.962264
"1368022"	794.326224	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H-2H2O"	-35.012676
"1384426"	812.3362	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H-H2O"	-17.0027
"283424"	1659.685076	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+H"	1.007276
"676531"	2489.023976	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+H"	1.007276
"1352882"	830.346176	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H"	1.007276
"134523"	830.346176	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+2H"	2.014552
"569708"	1245.015626	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+2H"	2.014552
"1051880"	415.676726	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2H"	2.014552
"216256"	553.899876	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+3H"	3.021828
"658981"	830.346176	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+3H"	3.021828
"1175888"	277.453576	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+3H"	3.021828
"438189"	1676.711623	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+NH4"	18.033823
"799302"	2506.050523	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+NH4"	18.033823
"1694907"	847.372723	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+NH4"	18.033823
"343915"	838.8594495	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+H+NH4"	19.041099
"735607"	1253.5288995	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+H+NH4"	19.041099
"1485783"	424.1899995	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H+NH4"	19.041099
"402274"	1681.667018	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+Na"	22.989218
"764364"	2511.005918	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+Na"	22.989218
"1609182"	852.328118	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Na"	22.989218
"322498"	841.337147	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+H+Na"	23.996494
"711643"	1256.006597	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+H+Na"	23.996494
"1466559"	426.667697	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H+Na"	23.996494
"1065271"	284.78089	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2H+Na"	25.00377
"1265857"	862.372386	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+CH3OH+H"	33.033486
"384431"	1697.640958	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+K"	38.963158
"744334"	2526.979858	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+K"	38.963158
"1542010"	868.302058	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+K"	38.963158
"300278"	849.324117	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+H+K"	39.970434
"692337"	1263.993567	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+H+K"	39.970434
"1446156"	434.654667	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H+K"	39.970434
"235720"	1700.711626	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+ACN+H"	42.033826
"1209924"	871.372726	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+ACN+H"	42.033826
"1194427"	436.190001	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+ACN+2H"	43.041102
"189322"	1703.64896	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+2Na-H"	44.97116
"632542"	2532.98786	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+2Na-H"	44.97116
"1134587"	874.31006	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2Na-H"	44.97116
"177147"	852.328118	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+2Na"	45.978436
"620359"	1266.997568	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+2Na"	45.978436
"1121678"	437.658668	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2Na"	45.978436
"1401919"	292.108204	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H+2Na"	46.985712
"1435131"	876.351646	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H+HCOOH"	47.012746
"231389"	857.36114	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+3H2O+2H"	56.04448
"1511068"	890.40369	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+IsoProp+H"	61.06479
"415859"	860.315088	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+Na+K"	61.952376
"775395"	1274.984538	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+Na+K"	61.952376
"1674280"	445.645638	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Na+K"	61.952376
"261894"	1722.693568	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+ACN+Na"	64.015768
"1235699"	893.354668	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+ACN+Na"	64.015768
"1721304"	893.378193	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+NH4+HCOOH"	64.039293
"1180459"	299.435518	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+3Na"	68.967654
"1653269"	898.333588	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Na+HCOOH"	68.994688
"158310"	1735.59684	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+2K-H"	76.91904
"597270"	2564.93574	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+2K-H"	76.91904
"1084486"	906.25794	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2K-H"	76.91904
"147588"	868.302058	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"2M+2K"	77.926316
"587149"	1282.971508	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"3M+2K"	77.926316
"1074943"	453.632608	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2K"	77.926316
"1107059"	908.272492	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2K+H"	78.933592
"1340163"	908.360107	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+DMSO+H"	79.021207
"1015254"	912.399276	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2ACN+H"	83.060376
"1526818"	913.392908	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+IsoProp+Na+H"	84.054008
"1003108"	456.703276	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+2ACN+2H"	84.067652
"1600166"	914.307528	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+K+HCOOH"	84.968628
"1423271"	944.339038	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+H+CF3COOH"	115.000138
"1153560"	477.216551	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+3ACN+2H"	125.094202
"1700923"	961.365585	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+NH4+CF3COOH"	132.026685
"1636937"	966.32098	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+Na+CF3COOH"	136.98208
"1583161"	982.29492	"C15824"	"Cephabacin F3;Cephabacin"	"C32H51N11O13S"	"829.3389"	"M+K+CF3COOH"	152.95602
"810255"	762.4918	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M"	0
"983789"	743.47341	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-H2O-H"	-19.01839
"70937"	507.320590666667	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M-3H"	-3.021828
"505028"	761.484524	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M-3H"	-3.021828
"891590"	253.156657333333	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-3H"	-3.021828
"12348"	761.484524	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M-2H"	-2.014552
"454341"	1142.730424	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M-2H"	-2.014552
"832030"	380.238624	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-2H"	-2.014552
"88614"	1523.976324	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M-H"	-1.007276
"533774"	2286.468124	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M-H"	-1.007276
"908164"	761.484524	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-H"	-1.007276
"59988"	1541.002871	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M-2H+NH4"	16.019271
"499788"	2303.494671	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M-2H+NH4"	16.019271
"875891"	778.511071	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-2H+NH4"	16.019271
"42333"	1545.958266	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M-2H+Na"	20.974666
"484082"	2308.450066	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M-2H+Na"	20.974666
"855686"	783.466466	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-2H+Na"	20.974666
"1622666"	783.466466	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Na-2H"	20.974666
"99198"	779.472863	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M-H+Cl"	33.962126
"542035"	1160.718763	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M-H+Cl"	33.962126
"936644"	398.226963	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-H+Cl"	33.962126
"279578"	1559.953002	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+Cl"	34.969402
"669813"	2322.444802	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+Cl"	34.969402
"1284403"	797.461202	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Cl"	34.969402
"28054"	1561.932206	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M-2H+K"	36.948606
"467615"	2324.424006	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M-2H+K"	36.948606
"848486"	799.440406	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-2H+K"	36.948606
"1564528"	799.440406	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+K-2H"	36.948606
"955693"	807.489994	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-H+HCOOH"	44.998194
"370627"	1569.981801	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+HCOOH-H"	44.998201
"358885"	1583.997451	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+Hac-H"	59.013851
"1502250"	821.505651	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Hac-H"	59.013851
"973439"	829.471951	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-H+NaCOOH"	66.980151
"116514"	797.461202	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+2Cl"	69.938804
"562633"	1178.707102	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+2Cl"	69.938804
"1024874"	416.215302	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2Cl"	69.938804
"1254291"	841.410685	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Br"	78.918885
"1314553"	843.466672	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Cl+HCOOH"	80.974872
"1329862"	865.448629	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Cl+NaCOOH"	102.956829
"917638"	875.477386	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M-H+CF3COOH"	112.985586
"1289239"	911.454064	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Cl+CF3COOH"	148.962264
"1374698"	727.479124	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H-2H2O"	-35.012676
"1395480"	745.4891	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H-H2O"	-17.0027
"295167"	1525.990876	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+H"	1.007276
"682122"	2288.482676	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+H"	1.007276
"1357377"	763.499076	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H"	1.007276
"132453"	763.499076	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+2H"	2.014552
"573107"	1144.744976	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+2H"	2.014552
"1049563"	382.253176	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2H"	2.014552
"214185"	509.335142666667	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+3H"	3.021828
"659464"	763.499076	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+3H"	3.021828
"1176374"	255.171209333333	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+3H"	3.021828
"437331"	1543.017423	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+NH4"	18.033823
"800270"	2305.509223	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+NH4"	18.033823
"1695751"	780.525623	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+NH4"	18.033823
"345128"	772.0123495	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+H+NH4"	19.041099
"733168"	1153.2582495	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+H+NH4"	19.041099
"1491004"	390.7664495	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H+NH4"	19.041099
"405675"	1547.972818	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+Na"	22.989218
"768126"	2310.464618	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+Na"	22.989218
"1608206"	785.481018	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Na"	22.989218
"322619"	774.490047	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+H+Na"	23.996494
"718319"	1155.735947	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+H+Na"	23.996494
"1467767"	393.244147	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H+Na"	23.996494
"1055543"	262.498523333333	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2H+Na"	25.00377
"1262686"	795.525286	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+CH3OH+H"	33.033486
"382355"	1563.946758	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+K"	38.963158
"740797"	2326.438558	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+K"	38.963158
"1542851"	801.454958	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+K"	38.963158
"299305"	782.477017	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+H+K"	39.970434
"697201"	1163.722917	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+H+K"	39.970434
"1449927"	401.231117	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H+K"	39.970434
"238530"	1567.017426	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+ACN+H"	42.033826
"1215612"	804.525626	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+ACN+H"	42.033826
"1203874"	402.766451	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+ACN+2H"	43.041102
"198931"	1569.95476	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+2Na-H"	44.97116
"636306"	2332.44656	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+2Na-H"	44.97116
"1138720"	807.46296	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2Na-H"	44.97116
"177997"	785.481018	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+2Na"	45.978436
"617922"	1166.726918	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+2Na"	45.978436
"1118875"	404.235118	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2Na"	45.978436
"1402033"	269.825837333333	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H+2Na"	46.985712
"1433422"	809.504546	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H+HCOOH"	47.012746
"224577"	790.51404	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+3H2O+2H"	56.04448
"1513009"	823.55659	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+IsoProp+H"	61.06479
"415978"	793.467988	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+Na+K"	61.952376
"773690"	1174.713888	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+Na+K"	61.952376
"1667830"	412.222088	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Na+K"	61.952376
"252893"	1588.999368	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+ACN+Na"	64.015768
"1229617"	826.507568	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+ACN+Na"	64.015768
"1717410"	826.531093	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+NH4+HCOOH"	64.039293
"1185682"	277.153151333333	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+3Na"	68.967654
"1658857"	831.486488	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Na+HCOOH"	68.994688
"170092"	1601.90264	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+2K-H"	76.91904
"604184"	2364.39444	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+2K-H"	76.91904
"1095260"	839.41084	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2K-H"	76.91904
"150982"	801.454958	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"2M+2K"	77.926316
"592736"	1182.700858	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"3M+2K"	77.926316
"1081623"	420.209058	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2K"	77.926316
"1114830"	841.425392	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2K+H"	78.933592
"1351053"	841.513007	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+DMSO+H"	79.021207
"1019744"	845.552176	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2ACN+H"	83.060376
"1537866"	846.545808	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+IsoProp+Na+H"	84.054008
"996662"	423.279726	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+2ACN+2H"	84.067652
"1594447"	847.460428	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+K+HCOOH"	84.968628
"1428854"	877.491938	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+H+CF3COOH"	115.000138
"1153675"	443.793001	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+3ACN+2H"	125.094202
"1706507"	894.518485	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+NH4+CF3COOH"	132.026685
"1647262"	899.47388	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+Na+CF3COOH"	136.98208
"1574529"	915.44782	"C15834"	"Narasin B;A28086B"	"C43H70O11"	"762.4918"	"M+K+CF3COOH"	152.95602
"812557"	587.3094	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M"	0
"987190"	568.29101	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-H2O-H"	-19.01839
"73245"	390.532324	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M-3H"	-3.021828
"513900"	586.302124	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M-3H"	-3.021828
"894256"	194.762524	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-3H"	-3.021828
"13923"	586.302124	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M-2H"	-2.014552
"454456"	879.956824	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M-2H"	-2.014552
"827637"	292.647424	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-2H"	-2.014552
"86537"	1173.611524	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M-H"	-1.007276
"532413"	1760.920924	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M-H"	-1.007276
"909242"	586.302124	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-H"	-1.007276
"61918"	1190.638071	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M-2H+NH4"	16.019271
"500018"	1777.947471	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M-2H+NH4"	16.019271
"874539"	603.328671	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-2H+NH4"	16.019271
"41713"	1195.593466	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M-2H+Na"	20.974666
"482730"	1782.902866	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M-2H+Na"	20.974666
"855430"	608.284066	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-2H+Na"	20.974666
"1622047"	608.284066	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Na-2H"	20.974666
"102586"	604.290463	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M-H+Cl"	33.962126
"544334"	897.945163	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M-H+Cl"	33.962126
"933476"	310.635763	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-H+Cl"	33.962126
"274222"	1209.588202	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+Cl"	34.969402
"672109"	1796.897602	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+Cl"	34.969402
"1281233"	622.278802	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Cl"	34.969402
"28531"	1211.567406	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M-2H+K"	36.948606
"462256"	1798.876806	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M-2H+K"	36.948606
"841152"	624.258006	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-2H+K"	36.948606
"1565731"	624.258006	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+K-2H"	36.948606
"953616"	632.307594	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-H+HCOOH"	44.998194
"369644"	1219.617001	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+HCOOH-H"	44.998201
"357537"	1233.632651	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+Hac-H"	59.013851
"1501267"	646.323251	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Hac-H"	59.013851
"969901"	654.289551	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-H+NaCOOH"	66.980151
"120994"	622.278802	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+2Cl"	69.938804
"557274"	915.933502	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+2Cl"	69.938804
"1027168"	328.624102	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2Cl"	69.938804
"1246747"	666.228285	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Br"	78.918885
"1304943"	668.284272	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Cl+HCOOH"	80.974872
"1320131"	690.266229	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Cl+NaCOOH"	102.956829
"912408"	700.294986	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M-H+CF3COOH"	112.985586
"1293375"	736.271664	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Cl+CF3COOH"	148.962264
"1378096"	552.296724	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H-2H2O"	-35.012676
"1387940"	570.3067	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H-H2O"	-17.0027
"286530"	1175.626076	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+H"	1.007276
"681140"	1762.935476	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+H"	1.007276
"1353113"	588.316676	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H"	1.007276
"139863"	588.316676	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+2H"	2.014552
"579302"	881.971376	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+2H"	2.014552
"1051141"	294.661976	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2H"	2.014552
"217581"	392.546876	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+3H"	3.021828
"659573"	588.316676	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+3H"	3.021828
"1169797"	196.777076	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+3H"	3.021828
"433068"	1192.652623	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+NH4"	18.033823
"799895"	1779.962023	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+NH4"	18.033823
"1689301"	605.343223	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+NH4"	18.033823
"335393"	596.8299495	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+H+NH4"	19.041099
"731099"	890.4846495	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+H+NH4"	19.041099
"1481638"	303.1752495	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H+NH4"	19.041099
"395945"	1197.608018	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+Na"	22.989218
"756942"	1784.917418	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+Na"	22.989218
"1613785"	610.298618	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Na"	22.989218
"322729"	599.307647	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+H+Na"	23.996494
"716241"	892.962347	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+H+Na"	23.996494
"1468967"	305.652947	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H+Na"	23.996494
"1055288"	204.10439	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2H+Na"	25.00377
"1257575"	620.342886	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+CH3OH+H"	33.033486
"379913"	1213.581958	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+K"	38.963158
"750034"	1800.891358	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+K"	38.963158
"1548807"	626.272558	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+K"	38.963158
"307076"	607.294617	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+H+K"	39.970434
"697312"	900.949317	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+H+K"	39.970434
"1450039"	313.639917	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H+K"	39.970434
"238642"	1216.652626	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+ACN+H"	42.033826
"1213537"	629.343226	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+ACN+H"	42.033826
"1200703"	315.175251	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+ACN+2H"	43.041102
"195762"	1219.58996	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+2Na-H"	44.97116
"635324"	1806.89936	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+2Na-H"	44.97116
"1139924"	632.28056	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2Na-H"	44.97116
"183215"	610.298618	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+2Na"	45.978436
"618401"	903.953318	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+2Na"	45.978436
"1125190"	316.643918	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2Na"	45.978436
"1405432"	211.431704	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H+2Na"	46.985712
"1436457"	634.322146	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H+HCOOH"	47.012746
"223966"	615.33164	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+3H2O+2H"	56.04448
"1509841"	648.37419	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+IsoProp+H"	61.06479
"414995"	618.285588	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+Na+K"	61.952376
"775992"	911.940288	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+Na+K"	61.952376
"1671229"	324.630888	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Na+K"	61.952376
"263221"	1238.634568	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+ACN+Na"	64.015768
"1236659"	651.325168	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+ACN+Na"	64.015768
"1727002"	651.348693	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+NH4+HCOOH"	64.039293
"1192359"	218.759018	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+3Na"	68.967654
"1662251"	656.304088	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Na+HCOOH"	68.994688
"171300"	1251.53784	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+2K-H"	76.91904
"609768"	1838.84724	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+2K-H"	76.91904
"1098654"	664.22844	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2K-H"	76.91904
"151096"	626.272558	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"2M+2K"	77.926316
"596124"	919.927258	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"3M+2K"	77.926316
"1083681"	332.617858	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2K"	77.926316
"1113844"	666.242992	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2K+H"	78.933592
"1350598"	666.330607	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+DMSO+H"	79.021207
"1019853"	670.369776	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2ACN+H"	83.060376
"1533605"	671.363408	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+IsoProp+Na+H"	84.054008
"1001149"	335.688526	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+2ACN+2H"	84.067652
"1598932"	672.278028	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+K+HCOOH"	84.968628
"1428723"	702.309538	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+H+CF3COOH"	115.000138
"1160347"	356.201801	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+3ACN+2H"	125.094202
"1709901"	719.336085	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+NH4+CF3COOH"	132.026685
"1649649"	724.29148	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+Na+CF3COOH"	136.98208
"1583393"	740.26542	"C15842"	"Lipomycin;alpha-Lipomycin"	"C32H45NO9"	"587.3094"	"M+K+CF3COOH"	152.95602
"813760"	1024.5971	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M"	0
"988388"	1005.57871	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-H2O-H"	-19.01839
"76634"	682.057457333333	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M-3H"	-3.021828
"512916"	1023.589824	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M-3H"	-3.021828
"892907"	340.525090666667	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-3H"	-3.021828
"10387"	1023.589824	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M-2H"	-2.014552
"452134"	1535.888374	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M-2H"	-2.014552
"832690"	511.291274	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-2H"	-2.014552
"89926"	2048.186924	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M-H"	-1.007276
"532402"	3072.784024	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M-H"	-1.007276
"911179"	1023.589824	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-H"	-1.007276
"61539"	2065.213471	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M-2H+NH4"	16.019271
"497941"	3089.810571	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M-2H+NH4"	16.019271
"870275"	1040.616371	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-2H+NH4"	16.019271
"42550"	2070.168866	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M-2H+Na"	20.974666
"483933"	3094.765966	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M-2H+Na"	20.974666
"852987"	1045.571766	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-2H+Na"	20.974666
"1626167"	1045.571766	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Na-2H"	20.974666
"103789"	1041.578163	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M-H+Cl"	33.962126
"542257"	1553.876713	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M-H+Cl"	33.962126
"932492"	529.279613	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-H+Cl"	33.962126
"274332"	2084.163602	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+Cl"	34.969402
"672948"	3108.760702	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+Cl"	34.969402
"1281343"	1059.566502	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Cl"	34.969402
"24993"	2086.142806	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M-2H+K"	36.948606
"465646"	3110.739906	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M-2H+K"	36.948606
"841262"	1061.545706	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-2H+K"	36.948606
"1565841"	1061.545706	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+K-2H"	36.948606
"953726"	1069.595294	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-H+HCOOH"	44.998194
"371941"	2094.192401	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+HCOOH-H"	44.998201
"358741"	2108.208051	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+Hac-H"	59.013851
"1504293"	1083.610951	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Hac-H"	59.013851
"973657"	1091.577251	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-H+NaCOOH"	66.980151
"125122"	1059.566502	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+2Cl"	69.938804
"557384"	1571.865052	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+2Cl"	69.938804
"1027279"	547.267952	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2Cl"	69.938804
"1252324"	1103.515985	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Br"	78.918885
"1307119"	1105.571972	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Cl+HCOOH"	80.974872
"1325709"	1127.553929	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Cl+NaCOOH"	102.956829
"915678"	1137.582686	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M-H+CF3COOH"	112.985586
"1300045"	1173.559364	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Cl+CF3COOH"	148.962264
"1379299"	989.584424	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H-2H2O"	-35.012676
"1395339"	1007.5944	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H-H2O"	-17.0027
"291014"	2050.201476	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+H"	1.007276
"683437"	3074.798576	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+H"	1.007276
"1355409"	1025.604376	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H"	1.007276
"139972"	1025.604376	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+2H"	2.014552
"579166"	1537.902926	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+2H"	2.014552
"1052345"	513.305826	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2H"	2.014552
"218909"	684.072009333333	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+3H"	3.021828
"658834"	1025.604376	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+3H"	3.021828
"1171001"	342.539642666667	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+3H"	3.021828
"433178"	2067.228023	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+NH4"	18.033823
"800980"	3091.825123	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+NH4"	18.033823
"1690505"	1042.630923	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+NH4"	18.033823
"340971"	1034.1176495	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+H+NH4"	19.041099
"731209"	1546.4161995	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+H+NH4"	19.041099
"1486121"	521.8190995	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H+NH4"	19.041099
"396053"	2072.183418	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+Na"	22.989218
"760331"	3096.780518	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+Na"	22.989218
"1616083"	1047.586318	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Na"	22.989218
"322839"	1036.595347	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+H+Na"	23.996494
"720361"	1548.893897	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+H+Na"	23.996494
"1470173"	524.296797	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H+Na"	23.996494
"1055398"	349.866956666667	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2H+Na"	25.00377
"1257925"	1057.630586	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+CH3OH+H"	33.033486
"382584"	2088.157358	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+K"	38.963158
"746861"	3112.754458	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+K"	38.963158
"1550009"	1063.560258	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+K"	38.963158
"306093"	1044.582317	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+H+K"	39.970434
"695233"	1556.880867	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+H+K"	39.970434
"1448325"	532.283767	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H+K"	39.970434
"240939"	2091.228026	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+ACN+H"	42.033826
"1214010"	1066.630926	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+ACN+H"	42.033826
"1201906"	533.819101	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+ACN+2H"	43.041102
"196965"	2094.16536	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+2Na-H"	44.97116
"636527"	3118.76246	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+2Na-H"	44.97116
"1142220"	1069.56826	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2Na-H"	44.97116
"183324"	1047.586318	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+2Na"	45.978436
"619604"	1559.884868	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+2Na"	45.978436
"1120924"	535.287768	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2Na"	45.978436
"1404448"	357.194270666667	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H+2Na"	46.985712
"1439846"	1071.609846	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H+HCOOH"	47.012746
"226261"	1052.61934	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+3H2O+2H"	56.04448
"1513231"	1085.66189	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+IsoProp+H"	61.06479
"414011"	1055.573288	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+Na+K"	61.952376
"776102"	1567.871838	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+Na+K"	61.952376
"1669515"	543.274738	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Na+K"	61.952376
"264059"	2113.209968	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+ACN+Na"	64.015768
"1232759"	1088.612868	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+ACN+Na"	64.015768
"1727476"	1088.636393	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+NH4+HCOOH"	64.039293
"1192103"	364.521584666667	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+3Na"	68.967654
"1662362"	1093.591788	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Na+HCOOH"	68.994688
"170317"	2126.11324	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+2K-H"	76.91904
"609878"	3150.71034	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+2K-H"	76.91904
"1095484"	1101.51614	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2K-H"	76.91904
"152299"	1063.560258	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"2M+2K"	77.926316
"596234"	1575.858808	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"3M+2K"	77.926316
"1081840"	551.261708	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2K"	77.926316
"1112861"	1103.530692	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2K+H"	78.933592
"1348153"	1103.618307	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+DMSO+H"	79.021207
"1017776"	1107.657476	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2ACN+H"	83.060376
"1533715"	1108.651108	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+IsoProp+Na+H"	84.054008
"1001259"	554.332376	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+2ACN+2H"	84.067652
"1599042"	1109.565728	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+K+HCOOH"	84.968628
"1421420"	1139.597238	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+H+CF3COOH"	115.000138
"1157177"	574.845651	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+3ACN+2H"	125.094202
"1707824"	1156.623785	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+NH4+CF3COOH"	132.026685
"1649191"	1161.57918	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+Na+CF3COOH"	136.98208
"1583503"	1177.55312	"C15844"	"Elaiophylin"	"C54H88O18"	"1024.5971"	"M+K+CF3COOH"	152.95602
"812777"	489.2727	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M"	0
"989228"	470.25431	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-H2O-H"	-19.01839
"72370"	325.174524	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M-3H"	-3.021828
"517280"	488.265424	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M-3H"	-3.021828
"891923"	162.083624	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-3H"	-3.021828
"12685"	488.265424	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M-2H"	-2.014552
"453337"	732.901774	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M-2H"	-2.014552
"831137"	243.629074	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-2H"	-2.014552
"90036"	977.538124	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M-H"	-1.007276
"533975"	1466.810824	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M-H"	-1.007276
"909583"	488.265424	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-H"	-1.007276
"60677"	994.564671	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M-2H+NH4"	16.019271
"500239"	1483.837371	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M-2H+NH4"	16.019271
"876946"	505.291971	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-2H+NH4"	16.019271
"45942"	999.520066	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M-2H+Na"	20.974666
"483315"	1488.792766	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M-2H+Na"	20.974666
"858931"	510.247366	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-2H+Na"	20.974666
"1630651"	510.247366	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Na-2H"	20.974666
"106087"	506.253763	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M-H+Cl"	33.962126
"549053"	750.890113	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M-H+Cl"	33.962126
"941349"	261.617413	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-H+Cl"	33.962126
"274441"	1013.514802	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+Cl"	34.969402
"672696"	1502.787502	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+Cl"	34.969402
"1284733"	524.242102	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Cl"	34.969402
"29115"	1015.494006	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M-2H+K"	36.948606
"468674"	1504.766706	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M-2H+K"	36.948606
"843559"	526.221306	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-2H+K"	36.948606
"1568140"	526.221306	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+K-2H"	36.948606
"957687"	534.270894	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-H+HCOOH"	44.998194
"375332"	1023.543601	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+HCOOH-H"	44.998201
"359215"	1037.559251	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+Hac-H"	59.013851
"1508418"	548.286551	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Hac-H"	59.013851
"974128"	556.252851	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-H+NaCOOH"	66.980151
"125111"	524.242102	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+2Cl"	69.938804
"562963"	768.878452	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+2Cl"	69.938804
"1030669"	279.605752	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2Cl"	69.938804
"1252434"	568.191585	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Br"	78.918885
"1310509"	570.247572	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Cl+HCOOH"	80.974872
"1326183"	592.229529	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Cl+NaCOOH"	102.956829
"925272"	602.258286	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M-H+CF3COOH"	112.985586
"1297968"	638.234964	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Cl+CF3COOH"	148.962264
"1375035"	454.260024	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H-2H2O"	-35.012676
"1395813"	472.27	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H-H2O"	-17.0027
"293312"	979.552676	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+H"	1.007276
"686826"	1468.825376	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+H"	1.007276
"1357707"	490.279976	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H"	1.007276
"130598"	490.279976	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+2H"	2.014552
"578915"	734.916326	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+2H"	2.014552
"1052172"	245.643626	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2H"	2.014552
"219019"	327.189076	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+3H"	3.021828
"659512"	490.279976	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+3H"	3.021828
"1176213"	164.098176	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+3H"	3.021828
"439121"	996.579223	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+NH4"	18.033823
"800968"	1485.851923	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+NH4"	18.033823
"1693531"	507.306523	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+NH4"	18.033823
"342905"	498.7932495	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+H+NH4"	19.041099
"730226"	743.4295995	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+H+NH4"	19.041099
"1486232"	254.1568995	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H+NH4"	19.041099
"398352"	1001.534618	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+Na"	22.989218
"761534"	1490.807318	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+Na"	22.989218
"1615098"	512.261918	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Na"	22.989218
"317483"	501.270947	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+H+Na"	23.996494
"708078"	745.907297	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+H+Na"	23.996494
"1471376"	256.634597	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H+Na"	23.996494
"1058061"	171.42549	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2H+Na"	25.00377
"1261925"	522.306186	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+CH3OH+H"	33.033486
"378311"	1017.508558	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+K"	38.963158
"743690"	1506.781258	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+K"	38.963158
"1546837"	528.235858	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+K"	38.963158
"309483"	509.257917	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+H+K"	39.970434
"698624"	753.894267	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+H+K"	39.970434
"1448799"	264.621567	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H+K"	39.970434
"245424"	1020.579226	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+ACN+H"	42.033826
"1220318"	531.306526	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+ACN+H"	42.033826
"1204203"	266.156901	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+ACN+2H"	43.041102
"195983"	1023.51656	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+2Na-H"	44.97116
"637730"	1512.78926	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+2Na-H"	44.97116
"1143424"	534.24386	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2Na-H"	44.97116
"180154"	512.261918	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+2Na"	45.978436
"620807"	756.898268	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+2Na"	45.978436
"1121034"	267.625568	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2Na"	45.978436
"1404558"	178.752804	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H+2Na"	46.985712
"1441049"	536.285446	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H+HCOOH"	47.012746
"228559"	517.29494	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+3H2O+2H"	56.04448
"1516623"	550.33749	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+IsoProp+H"	61.06479
"415213"	520.248888	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+Na+K"	61.952376
"772200"	764.885238	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+Na+K"	61.952376
"1673637"	275.612538	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Na+K"	61.952376
"262344"	1042.561168	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+ACN+Na"	64.015768
"1240649"	553.288468	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+ACN+Na"	64.015768
"1727470"	553.311993	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+NH4+HCOOH"	64.039293
"1192575"	186.080118	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+3Na"	68.967654
"1663561"	558.267388	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Na+HCOOH"	68.994688
"171766"	1055.46444	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+2K-H"	76.91904
"609985"	1544.73714	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+2K-H"	76.91904
"1097778"	566.19174	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2K-H"	76.91904
"154596"	528.235858	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"2M+2K"	77.926316
"593062"	772.872208	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"3M+2K"	77.926316
"1081947"	283.599508	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2K"	77.926316
"1112971"	568.206292	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2K+H"	78.933592
"1348263"	568.293907	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+DMSO+H"	79.021207
"1016791"	572.333076	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2ACN+H"	83.060376
"1534918"	573.326708	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+IsoProp+Na+H"	84.054008
"998085"	286.670176	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+2ACN+2H"	84.067652
"1600245"	574.241328	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+K+HCOOH"	84.968628
"1425905"	604.272838	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+H+CF3COOH"	115.000138
"1158382"	307.183451	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+3ACN+2H"	125.094202
"1712624"	621.299385	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+NH4+CF3COOH"	132.026685
"1642494"	626.25478	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+Na+CF3COOH"	136.98208
"1583613"	642.22872	"C15846"	"Isomigrastatin"	"C27H39NO7"	"489.2727"	"M+K+CF3COOH"	152.95602
"812887"	870.5705	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M"	0
"989746"	851.55211	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-H2O-H"	-19.01839
"74668"	579.373057333333	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M-3H"	-3.021828
"514230"	869.563224	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M-3H"	-3.021828
"889846"	289.182890666667	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-3H"	-3.021828
"15389"	869.563224	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M-2H"	-2.014552
"454906"	1304.848474	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M-2H"	-2.014552
"827968"	434.277974	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-2H"	-2.014552
"93425"	1740.133724	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M-H"	-1.007276
"530800"	2610.704224	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M-H"	-1.007276
"902042"	869.563224	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-H"	-1.007276
"57508"	1757.160271	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M-2H+NH4"	16.019271
"498162"	2627.730771	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M-2H+NH4"	16.019271
"873776"	886.589771	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-2H+NH4"	16.019271
"41678"	1762.115666	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M-2H+Na"	20.974666
"483426"	2632.686166	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M-2H+Na"	20.974666
"861229"	891.545166	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-2H+Na"	20.974666
"1628575"	891.545166	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Na-2H"	20.974666
"106197"	887.551563	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M-H+Cl"	33.962126
"545758"	1322.836813	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M-H+Cl"	33.962126
"940367"	452.266313	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-H+Cl"	33.962126
"281111"	1776.110402	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+Cl"	34.969402
"672441"	2646.680902	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+Cl"	34.969402
"1285575"	905.539902	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Cl"	34.969402
"28133"	1778.089606	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M-2H+K"	36.948606
"468055"	2648.660106	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M-2H+K"	36.948606
"842577"	907.519106	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-2H+K"	36.948606
"1566064"	907.519106	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+K-2H"	36.948606
"956868"	915.568694	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-H+HCOOH"	44.998194
"376825"	1786.139201	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+HCOOH-H"	44.998201
"361390"	1800.154851	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+Hac-H"	59.013851
"1508208"	929.584351	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Hac-H"	59.013851
"973395"	937.550651	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-H+NaCOOH"	66.980151
"123881"	905.539902	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+2Cl"	69.938804
"563073"	1340.825152	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+2Cl"	69.938804
"1031874"	470.254652	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2Cl"	69.938804
"1252544"	949.489385	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Br"	78.918885
"1305154"	951.545372	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Cl+HCOOH"	80.974872
"1321556"	973.527329	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Cl+NaCOOH"	102.956829
"925383"	983.556086	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M-H+CF3COOH"	112.985586
"1302459"	1019.532764	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Cl+CF3COOH"	148.962264
"1382636"	835.557824	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H-2H2O"	-35.012676
"1396654"	853.5678	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H-H2O"	-17.0027
"295609"	1742.148276	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+H"	1.007276
"686938"	2612.718776	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+H"	1.007276
"1356724"	871.577776	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H"	1.007276
"131799"	871.577776	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+2H"	2.014552
"579389"	1306.863026	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+2H"	2.014552
"1051101"	436.292526	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2H"	2.014552
"218640"	581.387609333333	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+3H"	3.021828
"657835"	871.577776	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+3H"	3.021828
"1176687"	291.197442666667	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+3H"	3.021828
"432305"	1759.174823	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+NH4"	18.033823
"796581"	2629.745323	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+NH4"	18.033823
"1692914"	888.604323	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+NH4"	18.033823
"341193"	880.0910495	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+H+NH4"	19.041099
"731429"	1315.3762995	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+H+NH4"	19.041099
"1481969"	444.8057995	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H+NH4"	19.041099
"399558"	1764.130218	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+Na"	22.989218
"758362"	2634.700718	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+Na"	22.989218
"1615209"	893.559718	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Na"	22.989218
"324150"	882.568747	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+H+Na"	23.996494
"718758"	1317.853997	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+H+Na"	23.996494
"1462373"	447.283497	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H+Na"	23.996494
"1054891"	298.524756666667	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2H+Na"	25.00377
"1257291"	903.603986	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+CH3OH+H"	33.033486
"380618"	1780.104158	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+K"	38.963158
"745987"	2650.674658	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+K"	38.963158
"1548043"	909.533658	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+K"	38.963158
"302304"	890.555717	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+H+K"	39.970434
"699829"	1325.840967	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+H+K"	39.970434
"1448180"	455.270467	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H+K"	39.970434
"244441"	1783.174826	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+ACN+H"	42.033826
"1218244"	912.604326	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+ACN+H"	42.033826
"1199939"	456.805801	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+ACN+2H"	43.041102
"196093"	1786.11216	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+2Na-H"	44.97116
"631643"	2656.68266	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+2Na-H"	44.97116
"1143533"	915.54166	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2Na-H"	44.97116
"180263"	893.559718	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+2Na"	45.978436
"618731"	1328.844968	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+2Na"	45.978436
"1122236"	458.274468	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2Na"	45.978436
"1406855"	305.852070666667	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H+2Na"	46.985712
"1440066"	917.583246	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H+HCOOH"	47.012746
"233044"	898.59274	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+3H2O+2H"	56.04448
"1521106"	931.63529	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+IsoProp+H"	61.06479
"416416"	901.546688	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+Na+K"	61.952376
"784586"	1336.831938	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+Na+K"	61.952376
"1681249"	466.261438	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Na+K"	61.952376
"264645"	1805.156768	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+ACN+Na"	64.015768
"1241123"	934.586268	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+ACN+Na"	64.015768
"1727943"	934.609793	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+NH4+HCOOH"	64.039293
"1193990"	313.179384666667	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+3Na"	68.967654
"1664648"	939.565188	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Na+HCOOH"	68.994688
"172690"	1818.06004	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+2K-H"	76.91904
"610098"	2688.63054	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+2K-H"	76.91904
"1097891"	947.48954	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2K-H"	76.91904
"155558"	909.533658	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"2M+2K"	77.926316
"596212"	1344.818908	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"3M+2K"	77.926316
"1082059"	474.248408	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2K"	77.926316
"1114054"	949.504092	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2K+H"	78.933592
"1350807"	949.591707	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+DMSO+H"	79.021207
"1015809"	953.630876	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2ACN+H"	83.060376
"1532843"	954.624508	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+IsoProp+Na+H"	84.054008
"999291"	477.319076	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+2ACN+2H"	84.067652
"1600355"	955.539128	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+K+HCOOH"	84.968628
"1426015"	985.570638	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+H+CF3COOH"	115.000138
"1157399"	497.832351	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+3ACN+2H"	125.094202
"1710231"	1002.597185	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+NH4+CF3COOH"	132.026685
"1642604"	1007.55258	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+Na+CF3COOH"	136.98208
"1583723"	1023.52652	"C15847"	"X-206"	"C47H82O14"	"870.5705"	"M+K+CF3COOH"	152.95602
"809717"	930.5076	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M"	0
"988357"	911.48921	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-H2O-H"	-19.01839
"76843"	619.331124	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M-3H"	-3.021828
"515431"	929.500324	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M-3H"	-3.021828
"892869"	309.161924	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-3H"	-3.021828
"7436"	929.500324	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M-2H"	-2.014552
"451370"	1394.754124	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M-2H"	-2.014552
"822611"	464.246524	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-2H"	-2.014552
"90255"	1860.007924	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M-H"	-1.007276
"524350"	2790.515524	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M-H"	-1.007276
"896685"	929.500324	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-H"	-1.007276
"54338"	1877.034471	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M-2H+NH4"	16.019271
"491711"	2807.542071	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M-2H+NH4"	16.019271
"873886"	946.526871	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-2H+NH4"	16.019271
"35226"	1881.989866	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M-2H+Na"	20.974666
"475151"	2812.497466	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M-2H+Na"	20.974666
"853684"	951.482266	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-2H+Na"	20.974666
"1624311"	951.482266	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Na-2H"	20.974666
"100839"	947.488663	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M-H+Cl"	33.962126
"541494"	1412.742463	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M-H+Cl"	33.962126
"936103"	482.234863	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-H+Cl"	33.962126
"277940"	1895.984602	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+Cl"	34.969402
"672187"	2826.492202	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+Cl"	34.969402
"1285321"	965.477002	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Cl"	34.969402
"29335"	1897.963806	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M-2H+K"	36.948606
"467071"	2828.471406	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M-2H+K"	36.948606
"843780"	967.456206	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-2H+K"	36.948606
"1567267"	967.456206	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+K-2H"	36.948606
"956614"	975.505794	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-H+HCOOH"	44.998194
"375191"	1906.013401	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+HCOOH-H"	44.998201
"361146"	1920.029051	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+Hac-H"	59.013851
"1507788"	989.521451	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Hac-H"	59.013851
"973143"	997.487751	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-H+NaCOOH"	66.980151
"124723"	965.477002	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+2Cl"	69.938804
"557716"	1430.730802	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+2Cl"	69.938804
"1027608"	500.223202	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2Cl"	69.938804
"1246093"	1009.426485	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Br"	78.918885
"1306357"	1011.482472	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Cl+HCOOH"	80.974872
"1321300"	1033.464429	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Cl+NaCOOH"	102.956829
"925129"	1043.493186	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M-H+CF3COOH"	112.985586
"1302568"	1079.469864	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Cl+CF3COOH"	148.962264
"1381702"	895.494924	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H-2H2O"	-35.012676
"1396399"	913.5049	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H-H2O"	-17.0027
"295719"	1862.022476	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+H"	1.007276
"687048"	2792.530076	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+H"	1.007276
"1355742"	931.514876	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H"	1.007276
"130815"	931.514876	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+2H"	2.014552
"579134"	1396.768676	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+2H"	2.014552
"1050484"	466.261076	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2H"	2.014552
"219356"	621.345676	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+3H"	3.021828
"659037"	931.514876	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+3H"	3.021828
"1173517"	311.176476	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+3H"	3.021828
"432415"	1879.049023	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+NH4"	18.033823
"793411"	2809.556623	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+NH4"	18.033823
"1684274"	948.541423	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+NH4"	18.033823
"335835"	940.0281495	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+H+NH4"	19.041099
"728259"	1405.2819495	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+H+NH4"	19.041099
"1480986"	474.7743495	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H+NH4"	19.041099
"399668"	1884.004418	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+Na"	22.989218
"754743"	2814.512018	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+Na"	22.989218
"1606570"	953.496818	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Na"	22.989218
"319886"	942.505847	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+H+Na"	23.996494
"711214"	1407.759647	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+H+Na"	23.996494
"1464303"	477.252047	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H+Na"	23.996494
"1054634"	318.50379	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2H+Na"	25.00377
"1257766"	963.541086	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+CH3OH+H"	33.033486
"377556"	1899.978358	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+K"	38.963158
"742817"	2830.485958	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+K"	38.963158
"1542686"	969.470758	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+K"	38.963158
"302049"	950.492817	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+H+K"	39.970434
"695929"	1415.746617	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+H+K"	39.970434
"1449386"	485.239017	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H+K"	39.970434
"239809"	1903.049026	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+ACN+H"	42.033826
"1213249"	972.541426	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+ACN+H"	42.033826
"1198226"	486.774351	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+ACN+2H"	43.041102
"190736"	1905.98636	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+2Na-H"	44.97116
"631023"	2836.49396	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+2Na-H"	44.97116
"1135259"	975.47876	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2Na-H"	44.97116
"180373"	953.496818	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+2Na"	45.978436
"619934"	1418.750618	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+2Na"	45.978436
"1120160"	488.243018	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2Na"	45.978436
"1400406"	325.831104	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H+2Na"	46.985712
"1437990"	977.520346	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H+HCOOH"	47.012746
"230967"	958.52984	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+3H2O+2H"	56.04448
"1517936"	991.57239	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+IsoProp+H"	61.06479
"414340"	961.483788	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+Na+K"	61.952376
"777526"	1426.737588	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+Na+K"	61.952376
"1679326"	496.229988	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Na+K"	61.952376
"266462"	1925.030968	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+ACN+Na"	64.015768
"1240744"	994.523368	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+ACN+Na"	64.015768
"1728217"	994.546893	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+NH4+HCOOH"	64.039293
"1193811"	333.158418	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+3Na"	68.967654
"1663786"	999.502288	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Na+HCOOH"	68.994688
"172471"	1937.93424	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+2K-H"	76.91904
"609114"	2868.44184	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+2K-H"	76.91904
"1098001"	1007.42664	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2K-H"	76.91904
"154817"	969.470758	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"2M+2K"	77.926316
"596568"	1434.724558	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"3M+2K"	77.926316
"1082170"	504.216958	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2K"	77.926316
"1114164"	1009.441192	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2K+H"	78.933592
"1350916"	1009.528807	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+DMSO+H"	79.021207
"1015920"	1013.567976	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2ACN+H"	83.060376
"1531860"	1014.561608	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+IsoProp+Na+H"	84.054008
"1000494"	507.287626	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+2ACN+2H"	84.067652
"1598279"	1015.476228	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+K+HCOOH"	84.968628
"1425032"	1045.507738	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+H+CF3COOH"	115.000138
"1157509"	527.800901	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+3ACN+2H"	125.094202
"1710341"	1062.534285	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+NH4+CF3COOH"	132.026685
"1643807"	1067.48968	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+Na+CF3COOH"	136.98208
"1583833"	1083.46362	"C15848"	"Angiotensin III"	"C46H66N12O9"	"930.5076"	"M+K+CF3COOH"	152.95602
"809827"	774.4065	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M"	0
"987374"	755.38811	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-H2O-H"	-19.01839
"75616"	515.263724	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M-3H"	-3.021828
"511167"	773.399224	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M-3H"	-3.021828
"890063"	257.128224	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-3H"	-3.021828
"9732"	773.399224	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M-2H"	-2.014552
"449293"	1160.602474	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M-2H"	-2.014552
"819440"	386.195974	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-2H"	-2.014552
"89271"	1547.805724	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M-H"	-1.007276
"527739"	2322.212224	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M-H"	-1.007276
"902260"	773.399224	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-H"	-1.007276
"53354"	1564.832271	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M-2H+NH4"	16.019271
"495103"	2339.238771	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M-2H+NH4"	16.019271
"876184"	790.425771	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-2H+NH4"	16.019271
"35700"	1569.787666	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M-2H+Na"	20.974666
"477084"	2344.194166	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M-2H+Na"	20.974666
"852701"	795.381166	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-2H+Na"	20.974666
"1625515"	795.381166	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Na-2H"	20.974666
"100950"	791.387563	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M-H+Cl"	33.962126
"540511"	1178.590813	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M-H+Cl"	33.962126
"936213"	404.184313	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-H+Cl"	33.962126
"278050"	1583.782402	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+Cl"	34.969402
"671568"	2358.188902	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+Cl"	34.969402
"1285067"	809.375902	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Cl"	34.969402
"28960"	1585.761606	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M-2H+K"	36.948606
"467182"	2360.168106	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M-2H+K"	36.948606
"844620"	811.355106	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-2H+K"	36.948606
"1568110"	811.355106	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+K-2H"	36.948606
"958182"	819.404694	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-H+HCOOH"	44.998194
"374937"	1593.811201	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+HCOOH-H"	44.998201
"361216"	1607.826851	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+Hac-H"	59.013851
"1508357"	833.420351	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Hac-H"	59.013851
"973737"	841.386651	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-H+NaCOOH"	66.980151
"124345"	809.375902	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+2Cl"	69.938804
"561106"	1196.579152	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+2Cl"	69.938804
"1032092"	422.172652	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2Cl"	69.938804
"1246203"	853.325385	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Br"	78.918885
"1304724"	855.381372	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Cl+HCOOH"	80.974872
"1320477"	877.363329	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Cl+NaCOOH"	102.956829
"926783"	887.392086	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M-H+CF3COOH"	112.985586
"1301948"	923.368764	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Cl+CF3COOH"	148.962264
"1381809"	739.393824	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H-2H2O"	-35.012676
"1395051"	757.4038	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H-H2O"	-17.0027
"294737"	1549.820276	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+H"	1.007276
"686430"	2324.226776	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+H"	1.007276
"1355853"	775.413776	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H"	1.007276
"129833"	775.413776	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+2H"	2.014552
"579973"	1162.617026	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+2H"	2.014552
"1051929"	388.210526	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2H"	2.014552
"219223"	517.278276	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+3H"	3.021828
"659756"	775.413776	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+3H"	3.021828
"1171439"	259.142776	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+3H"	3.021828
"433619"	1566.846823	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+NH4"	18.033823
"792428"	2341.253323	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+NH4"	18.033823
"1684384"	792.440323	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+NH4"	18.033823
"332665"	783.9270495	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+H+NH4"	19.041099
"725453"	1171.1302995	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+H+NH4"	19.041099
"1480367"	396.7237995	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H+NH4"	19.041099
"403058"	1571.802218	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+Na"	22.989218
"754936"	2346.208718	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+Na"	22.989218
"1604247"	797.395718	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Na"	22.989218
"318903"	786.404747	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+H+Na"	23.996494
"713510"	1173.607997	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+H+Na"	23.996494
"1461492"	399.201497	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H+Na"	23.996494
"1054496"	266.47009	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2H+Na"	25.00377
"1257632"	807.439986	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+CH3OH+H"	33.033486
"377907"	1587.776158	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+K"	38.963158
"740009"	2362.182658	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+K"	38.963158
"1541333"	813.369658	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+K"	38.963158
"302523"	794.391717	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+H+K"	39.970434
"693851"	1181.594967	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+H+K"	39.970434
"1450954"	407.188467	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H+K"	39.970434
"241013"	1590.846826	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+ACN+H"	42.033826
"1212629"	816.440326	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+ACN+H"	42.033826
"1198337"	408.723801	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+ACN+2H"	43.041102
"191938"	1593.78416	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+2Na-H"	44.97116
"630403"	2368.19066	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+2Na-H"	44.97116
"1135369"	819.37766	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2Na-H"	44.97116
"177566"	797.395718	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+2Na"	45.978436
"617857"	1184.598968	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+2Na"	45.978436
"1118083"	410.192468	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2Na"	45.978436
"1401607"	273.797404	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H+2Na"	46.985712
"1431166"	821.419246	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H+HCOOH"	47.012746
"222693"	802.42874	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+3H2O+2H"	56.04448
"1512578"	835.47129	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+IsoProp+H"	61.06479
"412261"	805.382688	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+Na+K"	61.952376
"774356"	1192.585938	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+Na+K"	61.952376
"1679436"	418.179438	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Na+K"	61.952376
"264867"	1612.828768	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+ACN+Na"	64.015768
"1240490"	838.422268	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+ACN+Na"	64.015768
"1727189"	838.445793	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+NH4+HCOOH"	64.039293
"1191814"	281.124718	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+3Na"	68.967654
"1663895"	843.401188	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Na+HCOOH"	68.994688
"171851"	1625.73204	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+2K-H"	76.91904
"610317"	2400.13854	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+2K-H"	76.91904
"1097018"	851.32554	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2K-H"	76.91904
"152740"	813.369658	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"2M+2K"	77.926316
"595706"	1200.572908	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"3M+2K"	77.926316
"1082280"	426.166408	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2K"	77.926316
"1113302"	853.340092	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2K+H"	78.933592
"1351307"	853.427707	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+DMSO+H"	79.021207
"1016030"	857.466876	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2ACN+H"	83.060376
"1534157"	858.460508	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+IsoProp+Na+H"	84.054008
"1001697"	429.237076	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+2ACN+2H"	84.067652
"1599482"	859.375128	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+K+HCOOH"	84.968628
"1425142"	889.406638	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+H+CF3COOH"	115.000138
"1157619"	449.750351	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+3ACN+2H"	125.094202
"1710451"	906.433185	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+NH4+CF3COOH"	132.026685
"1643917"	911.38858	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+Na+CF3COOH"	136.98208
"1583943"	927.36252	"C15849"	"Angiotensin IV;Angiotensin II 1-des-asn-2-arg"	"C40H54N8O8"	"774.4065"	"M+K+CF3COOH"	152.95602
"809937"	898.4661	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M"	0
"987485"	879.44771	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-H2O-H"	-19.01839
"76091"	597.970124	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M-3H"	-3.021828
"511277"	897.458824	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M-3H"	-3.021828
"890173"	298.481424	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-3H"	-3.021828
"7656"	897.458824	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M-2H"	-2.014552
"450497"	1346.691874	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M-2H"	-2.014552
"818458"	448.225774	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-2H"	-2.014552
"89380"	1795.924924	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M-H"	-1.007276
"527849"	2694.391024	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M-H"	-1.007276
"897998"	897.458824	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-H"	-1.007276
"55652"	1812.951471	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M-2H+NH4"	16.019271
"495213"	2711.417571	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M-2H+NH4"	16.019271
"873013"	914.485371	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-2H+NH4"	16.019271
"35445"	1817.906866	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M-2H+Na"	20.974666
"476104"	2716.372966	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M-2H+Na"	20.974666
"853904"	919.440766	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-2H+Na"	20.974666
"1626718"	919.440766	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Na-2H"	20.974666
"104339"	915.447163	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M-H+Cl"	33.962126
"543900"	1364.680213	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M-H+Cl"	33.962126
"938510"	466.214113	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-H+Cl"	33.962126
"274879"	1831.901602	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+Cl"	34.969402
"670584"	2730.367702	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+Cl"	34.969402
"1284082"	933.435502	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Cl"	34.969402
"26639"	1833.880806	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M-2H+K"	36.948606
"465103"	2732.346906	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M-2H+K"	36.948606
"841811"	935.414706	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-2H+K"	36.948606
"1567488"	935.414706	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+K-2H"	36.948606
"952818"	943.464294	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-H+HCOOH"	44.998194
"372492"	1841.930401	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+HCOOH-H"	44.998201
"360021"	1855.946051	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+Hac-H"	59.013851
"1504113"	957.479951	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Hac-H"	59.013851
"972384"	965.446251	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-H+NaCOOH"	66.980151
"124939"	933.435502	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+2Cl"	69.938804
"555748"	1382.668552	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+2Cl"	69.938804
"1030015"	484.202452	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2Cl"	69.938804
"1252872"	977.384985	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Br"	78.918885
"1306576"	979.440972	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Cl+HCOOH"	80.974872
"1322249"	1001.422929	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Cl+NaCOOH"	102.956829
"924255"	1011.451686	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M-H+CF3COOH"	112.985586
"1300966"	1047.428364	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Cl+CF3COOH"	148.962264
"1380581"	863.453424	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H-2H2O"	-35.012676
"1389693"	881.4634	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H-H2O"	-17.0027
"292659"	1797.939476	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+H"	1.007276
"685081"	2696.405576	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+H"	1.007276
"1357055"	899.473376	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H"	1.007276
"129213"	899.473376	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+2H"	2.014552
"567073"	1348.706426	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+2H"	2.014552
"1040492"	450.240326	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2H"	2.014552
"214956"	599.984676	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+3H"	3.021828
"658527"	899.473376	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+3H"	3.021828
"1171550"	300.495976	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+3H"	3.021828
"430450"	1814.966023	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+NH4"	18.033823
"792538"	2713.432123	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+NH4"	18.033823
"1684858"	916.499923	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+NH4"	18.033823
"332410"	907.9866495	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+H+NH4"	19.041099
"725927"	1357.2196995	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+H+NH4"	19.041099
"1478655"	458.7535995	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H+NH4"	19.041099
"399889"	1819.921418	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+Na"	22.989218
"755169"	2718.387518	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+Na"	22.989218
"1604237"	921.455318	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Na"	22.989218
"319012"	910.464347	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+H+Na"	23.996494
"713620"	1359.697397	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+H+Na"	23.996494
"1462215"	461.231297	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H+Na"	23.996494
"1054243"	307.82329	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2H+Na"	25.00377
"1258229"	931.499586	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+CH3OH+H"	33.033486
"378139"	1835.895358	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+K"	38.963158
"739265"	2734.361458	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+K"	38.963158
"1541807"	937.429258	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+K"	38.963158
"301535"	918.451317	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+H+K"	39.970434
"693959"	1367.684367	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+H+K"	39.970434
"1450335"	469.218267	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H+K"	39.970434
"240758"	1838.966026	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+ACN+H"	42.033826
"1215290"	940.499926	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+ACN+H"	42.033826
"1199539"	470.753601	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+ACN+2H"	43.041102
"192048"	1841.90336	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+2Na-H"	44.97116
"631606"	2740.36946	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+2Na-H"	44.97116
"1134747"	943.43726	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2Na-H"	44.97116
"177676"	921.455318	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+2Na"	45.978436
"614075"	1370.688368	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+2Na"	45.978436
"1118557"	472.222268	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2Na"	45.978436
"1400988"	315.150604	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H+2Na"	46.985712
"1430790"	945.478846	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H+HCOOH"	47.012746
"221465"	926.48834	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+3H2O+2H"	56.04448
"1512688"	959.53089	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+IsoProp+H"	61.06479
"410548"	929.442288	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+Na+K"	61.952376
"773372"	1378.675338	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+Na+K"	61.952376
"1672984"	480.209238	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Na+K"	61.952376
"266799"	1860.947968	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+ACN+Na"	64.015768
"1240480"	962.481868	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+ACN+Na"	64.015768
"1727179"	962.505393	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+NH4+HCOOH"	64.039293
"1193018"	322.477918	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+3Na"	68.967654
"1664129"	967.460788	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Na+HCOOH"	68.994688
"171720"	1873.85124	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+2K-H"	76.91904
"611520"	2772.31734	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+2K-H"	76.91904
"1098588"	975.38514	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2K-H"	76.91904
"154914"	937.429258	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"2M+2K"	77.926316
"594598"	1386.662308	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"3M+2K"	77.926316
"1083488"	488.196208	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2K"	77.926316
"1114631"	977.399692	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2K+H"	78.933592
"1350862"	977.487307	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+DMSO+H"	79.021207
"1020030"	981.526476	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2ACN+H"	83.060376
"1534267"	982.520108	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+IsoProp+Na+H"	84.054008
"1005416"	491.266876	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+2ACN+2H"	84.067652
"1598499"	983.434728	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+K+HCOOH"	84.968628
"1424159"	1013.466238	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+H+CF3COOH"	115.000138
"1156636"	511.780151	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+3ACN+2H"	125.094202
"1709468"	1030.492785	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+NH4+CF3COOH"	132.026685
"1641840"	1035.44818	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+Na+CF3COOH"	136.98208
"1584053"	1051.42212	"C15850"	"Angiotensin (1-7)"	"C41H62N12O11"	"898.4661"	"M+K+CF3COOH"	152.95602
"813327"	1182.5934	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M"	0
"987595"	1163.57501	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-H2O-H"	-19.01839
"77295"	787.388324	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M-3H"	-3.021828
"514668"	1181.586124	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M-3H"	-3.021828
"888098"	393.190524	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-3H"	-3.021828
"8860"	1181.586124	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M-2H"	-2.014552
"448421"	1772.882824	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M-2H"	-2.014552
"819661"	590.289424	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-2H"	-2.014552
"88397"	2364.179524	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M-H"	-1.007276
"524679"	3546.772924	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M-H"	-1.007276
"898835"	1181.586124	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-H"	-1.007276
"50658"	2381.206071	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M-2H+NH4"	16.019271
"492044"	3563.799471	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M-2H+NH4"	16.019271
"876404"	1198.612671	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-2H+NH4"	16.019271
"39931"	2386.161466	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M-2H+Na"	20.974666
"481682"	3568.754866	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M-2H+Na"	20.974666
"856201"	1203.568066	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-2H+Na"	20.974666
"1627922"	1203.568066	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Na-2H"	20.974666
"106635"	1199.574463	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M-H+Cl"	33.962126
"540728"	1790.871163	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M-H+Cl"	33.962126
"937523"	608.277763	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-H+Cl"	33.962126
"274989"	2400.156202	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+Cl"	34.969402
"674339"	3582.749602	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+Cl"	34.969402
"1283098"	1217.562802	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Cl"	34.969402
"27841"	2402.135406	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M-2H+K"	36.948606
"466306"	3584.728806	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M-2H+K"	36.948606
"840828"	1219.542006	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-2H+K"	36.948606
"1566504"	1219.542006	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+K-2H"	36.948606
"952199"	1227.591594	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-H+HCOOH"	44.998194
"369321"	2410.185001	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+HCOOH-H"	44.998201
"360860"	2424.200651	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+Hac-H"	59.013851
"1503130"	1241.607251	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Hac-H"	59.013851
"972494"	1249.573551	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-H+NaCOOH"	66.980151
"120671"	1217.562802	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+2Cl"	69.938804
"558044"	1808.859502	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+2Cl"	69.938804
"1025751"	626.266102	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2Cl"	69.938804
"1252982"	1261.512285	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Br"	78.918885
"1305226"	1263.568272	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Cl+HCOOH"	80.974872
"1321630"	1285.550229	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Cl+NaCOOH"	102.956829
"922542"	1295.578986	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M-H+CF3COOH"	112.985586
"1301803"	1331.555664	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Cl+CF3COOH"	148.962264
"1376681"	1147.580724	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H-2H2O"	-35.012676
"1386885"	1165.5907	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H-H2O"	-17.0027
"290582"	2366.194076	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+H"	1.007276
"681911"	3548.787476	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+H"	1.007276
"1355342"	1183.600676	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H"	1.007276
"131145"	1183.600676	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+2H"	2.014552
"567425"	1774.897376	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+2H"	2.014552
"1040966"	592.303976	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2H"	2.014552
"209597"	789.402876	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+3H"	3.021828
"655357"	1183.600676	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+3H"	3.021828
"1168379"	395.205076	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+3H"	3.021828
"431653"	2383.220623	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+NH4"	18.033823
"793740"	3565.814023	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+NH4"	18.033823
"1687155"	1200.627223	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+NH4"	18.033823
"335071"	1192.1139495	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+H+NH4"	19.041099
"726035"	1783.4106495	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+H+NH4"	19.041099
"1478158"	600.8172495	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H+NH4"	19.041099
"399999"	2388.176018	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+Na"	22.989218
"755887"	3570.769418	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+Na"	22.989218
"1603374"	1205.582618	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Na"	22.989218
"319121"	1194.591647	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+H+Na"	23.996494
"712637"	1785.888347	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+H+Na"	23.996494
"1462447"	603.294947	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H+Na"	23.996494
"1053989"	402.53239	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2H+Na"	25.00377
"1257071"	1215.626886	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+CH3OH+H"	33.033486
"377762"	2404.149958	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+K"	38.963158
"739496"	3586.743358	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+K"	38.963158
"1542281"	1221.556558	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+K"	38.963158
"299942"	1202.578617	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+H+K"	39.970434
"695892"	1793.875317	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+H+K"	39.970434
"1448986"	611.281917	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H+K"	39.970434
"235961"	2407.220626	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+ACN+H"	42.033826
"1214307"	1224.627226	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+ACN+H"	42.033826
"1199649"	612.817251	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+ACN+2H"	43.041102
"191794"	2410.15796	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+2Na-H"	44.97116
"630623"	3592.75136	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+2Na-H"	44.97116
"1134128"	1227.56456	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2Na-H"	44.97116
"175962"	1205.582618	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+2Na"	45.978436
"615399"	1796.879318	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+2Na"	45.978436
"1118303"	614.285918	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2Na"	45.978436
"1401827"	409.859704	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H+2Na"	46.985712
"1430779"	1229.606146	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H+HCOOH"	47.012746
"221453"	1210.61564	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+3H2O+2H"	56.04448
"1510611"	1243.65819	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+IsoProp+H"	61.06479
"409192"	1213.569588	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+Na+K"	61.952376
"775669"	1804.866288	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+Na+K"	61.952376
"1672001"	622.272888	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Na+K"	61.952376
"265815"	2429.202568	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+ACN+Na"	64.015768
"1237795"	1246.609168	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+ACN+Na"	64.015768
"1726681"	1246.632693	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+NH4+HCOOH"	64.039293
"1192034"	417.187018	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+3Na"	68.967654
"1664482"	1251.588088	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Na+HCOOH"	68.994688
"170979"	2442.10584	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+2K-H"	76.91904
"609443"	3624.69924	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+2K-H"	76.91904
"1098577"	1259.51244	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2K-H"	76.91904
"155147"	1221.556558	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"2M+2K"	77.926316
"596048"	1812.853258	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"3M+2K"	77.926316
"1083806"	630.259858	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2K"	77.926316
"1114741"	1261.526992	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2K+H"	78.933592
"1351008"	1261.614607	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+DMSO+H"	79.021207
"1019531"	1265.653776	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2ACN+H"	83.060376
"1534377"	1266.647408	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+IsoProp+Na+H"	84.054008
"1004716"	633.330526	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+2ACN+2H"	84.067652
"1599702"	1267.562028	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+K+HCOOH"	84.968628
"1425362"	1297.593538	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+H+CF3COOH"	115.000138
"1158933"	653.843801	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+3ACN+2H"	125.094202
"1707391"	1314.620085	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+NH4+CF3COOH"	132.026685
"1640857"	1319.57548	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+Na+CF3COOH"	136.98208
"1584163"	1335.54942	"C15851"	"Angiotensin (1-9)"	"C56H78N16O13"	"1182.5934"	"M+K+CF3COOH"	152.95602
"812344"	664.3544	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M"	0
"988069"	645.33601	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-H2O-H"	-19.01839
"75948"	441.895657333333	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M-3H"	-3.021828
"513685"	663.347124	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M-3H"	-3.021828
"889302"	220.444190666667	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-3H"	-3.021828
"7877"	663.347124	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M-2H"	-2.014552
"447438"	995.524324	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M-2H"	-2.014552
"818678"	331.169924	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-2H"	-2.014552
"88507"	1327.701524	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M-H"	-1.007276
"524789"	1992.055924	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M-H"	-1.007276
"898216"	663.347124	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-H"	-1.007276
"52592"	1344.728071	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M-2H+NH4"	16.019271
"492154"	2009.082471	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M-2H+NH4"	16.019271
"876514"	680.373671	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-2H+NH4"	16.019271
"38948"	1349.683466	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M-2H+Na"	20.974666
"481792"	2014.037866	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M-2H+Na"	20.974666
"855218"	685.329066	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-2H+Na"	20.974666
"1628032"	685.329066	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Na-2H"	20.974666
"103466"	681.335463	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M-H+Cl"	33.962126
"539745"	1013.512663	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M-H+Cl"	33.962126
"936540"	349.158263	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-H+Cl"	33.962126
"272913"	1363.678202	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+Cl"	34.969402
"671898"	2028.032602	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+Cl"	34.969402
"1282115"	699.323802	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Cl"	34.969402
"25765"	1365.657406	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M-2H+K"	36.948606
"466416"	2030.011806	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M-2H+K"	36.948606
"840938"	701.303006	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-2H+K"	36.948606
"1566614"	701.303006	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+K-2H"	36.948606
"952309"	709.352594	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-H+HCOOH"	44.998194
"369431"	1373.707001	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+HCOOH-H"	44.998201
"361138"	1387.722651	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+Hac-H"	59.013851
"1503969"	723.368251	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Hac-H"	59.013851
"972240"	731.334551	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-H+NaCOOH"	66.980151
"124306"	699.323802	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+2Cl"	69.938804
"555968"	1031.501002	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+2Cl"	69.938804
"1029142"	367.146602	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2Cl"	69.938804
"1251999"	743.273285	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Br"	78.918885
"1305702"	745.329272	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Cl+HCOOH"	80.974872
"1320281"	767.311229	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Cl+NaCOOH"	102.956829
"924838"	777.339986	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M-H+CF3COOH"	112.985586
"1303005"	813.316664	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Cl+CF3COOH"	148.962264
"1371324"	629.341724	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H-2H2O"	-35.012676
"1389912"	647.3517	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H-H2O"	-17.0027
"287412"	1329.716076	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+H"	1.007276
"683113"	1994.070476	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+H"	1.007276
"1356181"	665.361676	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H"	1.007276
"132345"	665.361676	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+2H"	2.014552
"567173"	997.538876	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+2H"	2.014552
"1039982"	333.184476	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2H"	2.014552
"207521"	443.910209333333	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+3H"	3.021828
"655467"	665.361676	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+3H"	3.021828
"1168489"	222.458742666667	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+3H"	3.021828
"428482"	1346.742623	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+NH4"	18.033823
"792756"	2011.097023	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+NH4"	18.033823
"1685807"	682.388223	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+NH4"	18.033823
"335181"	673.8749495	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+H+NH4"	19.041099
"725051"	1006.0521495	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+H+NH4"	19.041099
"1477903"	341.6977495	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H+NH4"	19.041099
"396829"	1351.698018	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+Na"	22.989218
"755630"	2016.052418	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+Na"	22.989218
"1603037"	687.343618	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Na"	22.989218
"315951"	676.352647	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+H+Na"	23.996494
"712748"	1008.529847	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+H+Na"	23.996494
"1463286"	344.175447	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H+Na"	23.996494
"1053249"	229.786056666667	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2H+Na"	25.00377
"1257116"	697.387886	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+CH3OH+H"	33.033486
"377341"	1367.671958	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+K"	38.963158
"739971"	2032.026358	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+K"	38.963158
"1543120"	703.317558	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+K"	38.963158
"301023"	684.339617	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+H+K"	39.970434
"693450"	1016.516817	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+H+K"	39.970434
"1446212"	352.162417	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H+K"	39.970434
"236355"	1370.742626	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+ACN+H"	42.033826
"1212595"	706.388226	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+ACN+H"	42.033826
"1199396"	353.697751	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+ACN+2H"	43.041102
"191174"	1373.67996	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+2Na-H"	44.97116
"630854"	2038.03436	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+2Na-H"	44.97116
"1132656"	709.32556	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2Na-H"	44.97116
"174854"	687.343618	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+2Na"	45.978436
"614172"	1019.520818	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+2Na"	45.978436
"1116009"	355.166418	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2Na"	45.978436
"1398510"	237.113370666667	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H+2Na"	46.985712
"1430111"	711.367146	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H+HCOOH"	47.012746
"220707"	692.37664	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+3H2O+2H"	56.04448
"1509494"	725.41919	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+IsoProp+H"	61.06479
"408709"	695.330588	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+Na+K"	61.952376
"770173"	1027.507788	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+Na+K"	61.952376
"1672111"	363.153388	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Na+K"	61.952376
"263737"	1392.724568	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+ACN+Na"	64.015768
"1238633"	728.370168	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+ACN+Na"	64.015768
"1726791"	728.393693	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+NH4+HCOOH"	64.039293
"1192144"	244.440684666667	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+3Na"	68.967654
"1664954"	733.349088	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Na+HCOOH"	68.994688
"171089"	1405.62784	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+2K-H"	76.91904
"608460"	2069.98224	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+2K-H"	76.91904
"1099374"	741.27344	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2K-H"	76.91904
"155257"	703.317558	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"2M+2K"	77.926316
"596400"	1035.494758	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"3M+2K"	77.926316
"1083957"	371.140358	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2K"	77.926316
"1114484"	743.287992	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2K+H"	78.933592
"1351294"	743.375607	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+DMSO+H"	79.021207
"1018548"	747.414776	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2ACN+H"	83.060376
"1534487"	748.408408	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+IsoProp+Na+H"	84.054008
"1004216"	374.211026	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+2ACN+2H"	84.067652
"1598718"	749.323028	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+K+HCOOH"	84.968628
"1422192"	779.354538	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+H+CF3COOH"	115.000138
"1159043"	394.724301	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+3ACN+2H"	125.094202
"1707501"	796.381085	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+NH4+CF3COOH"	132.026685
"1643154"	801.33648	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+Na+CF3COOH"	136.98208
"1584273"	817.31042	"C15852"	"Angiotensin (1-5)"	"C30H48N8O9"	"664.3544"	"M+K+CF3COOH"	152.95602
"811361"	143.1422	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M"	0
"987814"	124.12381	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-H2O-H"	-19.01839
"76422"	94.4208573333333	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M-3H"	-3.021828
"514888"	142.134924	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M-3H"	-3.021828
"889413"	46.7067906666667	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-3H"	-3.021828
"7987"	142.134924	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M-2H"	-2.014552
"443904"	213.706024	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M-2H"	-2.014552
"822069"	70.563824	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-2H"	-2.014552
"89711"	285.277124	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M-H"	-1.007276
"528182"	428.419324	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M-H"	-1.007276
"898328"	142.134924	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-H"	-1.007276
"49787"	302.303671	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M-2H+NH4"	16.019271
"492265"	445.445871	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M-2H+NH4"	16.019271
"878448"	159.161471	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-2H+NH4"	16.019271
"37967"	307.259066	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M-2H+Na"	20.974666
"482996"	450.401266	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M-2H+Na"	20.974666
"858610"	164.116866	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-2H+Na"	20.974666
"1629236"	164.116866	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Na-2H"	20.974666
"106857"	160.123263	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M-H+Cl"	33.962126
"544230"	231.694363	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M-H+Cl"	33.962126
"936650"	88.552163	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-H+Cl"	33.962126
"277398"	321.253802	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+Cl"	34.969402
"673102"	464.396002	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+Cl"	34.969402
"1284414"	178.111602	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Cl"	34.969402
"28064"	323.233006	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M-2H+K"	36.948606
"469809"	466.375206	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M-2H+K"	36.948606
"842141"	180.090806	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-2H+K"	36.948606
"1568183"	180.090806	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+K-2H"	36.948606
"953512"	188.140394	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-H+HCOOH"	44.998194
"372457"	331.282601	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+HCOOH-H"	44.998201
"361045"	345.298251	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+Hac-H"	59.013851
"1504443"	202.156051	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Hac-H"	59.013851
"972349"	210.122351	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-H+NaCOOH"	66.980151
"125150"	178.111602	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+2Cl"	69.938804
"556078"	249.682702	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+2Cl"	69.938804
"1027065"	106.540502	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2Cl"	69.938804
"1253202"	222.061085	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Br"	78.918885
"1304715"	224.117072	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Cl+HCOOH"	80.974872
"1321120"	246.099029	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Cl+NaCOOH"	102.956829
"924580"	256.127786	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M-H+CF3COOH"	112.985586
"1301290"	292.104464	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Cl+CF3COOH"	148.962264
"1375804"	108.129524	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H-2H2O"	-35.012676
"1387836"	126.1395	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H-H2O"	-17.0027
"289710"	287.291676	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+H"	1.007276
"679944"	430.433876	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+H"	1.007276
"1354103"	144.149476	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H"	1.007276
"129180"	144.149476	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+2H"	2.014552
"568012"	215.720576	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+2H"	2.014552
"1041914"	72.578376	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2H"	2.014552
"207630"	96.4354093333333	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+3H"	3.021828
"655577"	144.149476	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+3H"	3.021828
"1166413"	48.7213426666667	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+3H"	3.021828
"429686"	304.318223	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+NH4"	18.033823
"788858"	447.460423	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+NH4"	18.033823
"1685919"	161.176023	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+NH4"	18.033823
"337477"	152.6627495	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+H+NH4"	19.041099
"726983"	224.2338495	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+H+NH4"	19.041099
"1480446"	81.0916495	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H+NH4"	19.041099
"396939"	309.273618	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+Na"	22.989218
"755376"	452.415818	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+Na"	22.989218
"1603594"	166.131418	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Na"	22.989218
"317155"	155.140447	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+H+Na"	23.996494
"709941"	226.711547	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+H+Na"	23.996494
"1463033"	83.569347	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H+Na"	23.996494
"1054092"	56.0486566666667	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2H+Na"	25.00377
"1257625"	176.175686	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+CH3OH+H"	33.033486
"377253"	325.247558	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+K"	38.963158
"739716"	468.389758	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+K"	38.963158
"1541406"	182.105358	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+K"	38.963158
"298947"	163.127417	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+H+K"	39.970434
"691443"	234.698517	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+H+K"	39.970434
"1445674"	91.556317	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H+K"	39.970434
"235811"	328.318226	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+ACN+H"	42.033826
"1214528"	185.176026	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+ACN+H"	42.033826
"1197684"	93.091651	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+ACN+2H"	43.041102
"193105"	331.25556	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+2Na-H"	44.97116
"631209"	474.39776	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+2Na-H"	44.97116
"1133378"	188.11336	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2Na-H"	44.97116
"174599"	166.131418	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+2Na"	45.978436
"613228"	237.702518	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+2Na"	45.978436
"1116813"	94.560318	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2Na"	45.978436
"1399730"	63.3759706666667	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H+2Na"	46.985712
"1431238"	190.154946	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H+HCOOH"	47.012746
"220570"	171.16444	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+3H2O+2H"	56.04448
"1509845"	204.20699	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+IsoProp+H"	61.06479
"409414"	174.118388	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+Na+K"	61.952376
"770411"	245.689488	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+Na+K"	61.952376
"1672221"	102.547288	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Na+K"	61.952376
"262023"	350.300168	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+ACN+Na"	64.015768
"1236922"	207.157968	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+ACN+Na"	64.015768
"1723986"	207.181493	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+NH4+HCOOH"	64.039293
"1190798"	70.7032846666667	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+3Na"	68.967654
"1659962"	212.136888	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Na+HCOOH"	68.994688
"165730"	363.20344	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+2K-H"	76.91904
"607478"	506.34564	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+2K-H"	76.91904
"1097458"	220.06124	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2K-H"	76.91904
"155367"	182.105358	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"2M+2K"	77.926316
"588367"	253.676458	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"3M+2K"	77.926316
"1081627"	110.534258	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2K"	77.926316
"1112650"	222.075792	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2K+H"	78.933592
"1351145"	222.163407	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+DMSO+H"	79.021207
"1019752"	226.202576	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2ACN+H"	83.060376
"1534598"	227.196208	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+IsoProp+Na+H"	84.054008
"1005058"	113.604926	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+2ACN+2H"	84.067652
"1599924"	228.110828	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+K+HCOOH"	84.968628
"1424490"	258.142338	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+H+CF3COOH"	115.000138
"1160978"	134.118201	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+3ACN+2H"	125.094202
"1707611"	275.168885	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+NH4+CF3COOH"	132.026685
"1643264"	280.12428	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+Na+CF3COOH"	136.98208
"1584383"	296.09822	"C15853"	"Dehydrospermidine"	"C7H17N3"	"143.1422"	"M+K+CF3COOH"	152.95602
"814753"	540.4695	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M"	0
"979537"	521.45111	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-H2O-H"	-19.01839
"68880"	359.305724	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M-3H"	-3.021828
"504064"	539.462224	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M-3H"	-3.021828
"880770"	179.149224	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-3H"	-3.021828
"8092"	539.462224	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M-2H"	-2.014552
"445466"	809.696974	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M-2H"	-2.014552
"821080"	269.227474	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-2H"	-2.014552
"86539"	1079.931724	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M-H"	-1.007276
"530844"	1620.401224	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M-H"	-1.007276
"907183"	539.462224	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-H"	-1.007276
"59369"	1096.958271	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M-2H+NH4"	16.019271
"500753"	1637.427771	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M-2H+NH4"	16.019271
"874546"	556.488771	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-2H+NH4"	16.019271
"41354"	1101.913666	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M-2H+Na"	20.974666
"482008"	1642.383166	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M-2H+Na"	20.974666
"854343"	561.444166	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-2H+Na"	20.974666
"1618811"	561.444166	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Na-2H"	20.974666
"100411"	557.450563	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M-H+Cl"	33.962126
"544349"	827.685313	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M-H+Cl"	33.962126
"938959"	287.215813	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-H+Cl"	33.962126
"276420"	1115.908402	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+Cl"	34.969402
"666654"	1656.377902	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+Cl"	34.969402
"1282336"	575.438902	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Cl"	34.969402
"28906"	1117.887606	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M-2H+K"	36.948606
"469920"	1658.357106	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M-2H+K"	36.948606
"845532"	577.418106	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-2H+K"	36.948606
"1568292"	577.418106	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+K-2H"	36.948606
"955810"	585.467694	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-H+HCOOH"	44.998194
"371474"	1125.937201	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+HCOOH-H"	44.998201
"360097"	1139.952851	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+Hac-H"	59.013851
"1500181"	599.483351	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Hac-H"	59.013851
"964440"	607.449651	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-H+NaCOOH"	66.980151
"117721"	575.438902	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+2Cl"	69.938804
"560562"	845.673652	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+2Cl"	69.938804
"1029360"	305.204152	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2Cl"	69.938804
"1254057"	619.388385	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Br"	78.918885
"1316865"	621.444372	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Cl+HCOOH"	80.974872
"1332541"	643.426329	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Cl+NaCOOH"	102.956829
"921047"	653.455086	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M-H+CF3COOH"	112.985586
"1301403"	689.431764	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Cl+CF3COOH"	148.962264
"1371543"	505.456824	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H-2H2O"	-35.012676
"1385759"	523.4668	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H-H2O"	-17.0027
"286173"	1081.946276	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+H"	1.007276
"678230"	1622.415776	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+H"	1.007276
"1357497"	541.476776	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H"	1.007276
"134401"	541.476776	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+2H"	2.014552
"573961"	811.711526	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+2H"	2.014552
"1043124"	271.242026	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2H"	2.014552
"213576"	361.320276	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+3H"	3.021828
"649490"	541.476776	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+3H"	3.021828
"1166524"	181.163776	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+3H"	3.021828
"428704"	1098.972823	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+NH4"	18.033823
"792983"	1639.442323	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+NH4"	18.033823
"1688218"	558.503323	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+NH4"	18.033823
"332123"	549.9900495	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+H+NH4"	19.041099
"725642"	820.2247995	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+H+NH4"	19.041099
"1477758"	279.7552995	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H+NH4"	19.041099
"397038"	1103.928218	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+Na"	22.989218
"758035"	1644.397718	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+Na"	22.989218
"1603049"	563.458718	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Na"	22.989218
"314788"	552.467747	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+H+Na"	23.996494
"711878"	822.702497	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+H+Na"	23.996494
"1464239"	282.232997	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H+Na"	23.996494
"1053837"	188.49109	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2H+Na"	25.00377
"1257449"	573.502986	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+CH3OH+H"	33.033486
"377286"	1119.902158	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+K"	38.963158
"738923"	1660.371658	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+K"	38.963158
"1540185"	579.432658	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+K"	38.963158
"298580"	560.454717	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+H+K"	39.970434
"692214"	830.689467	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+H+K"	39.970434
"1449318"	290.219967	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H+K"	39.970434
"241929"	1122.972826	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+ACN+H"	42.033826
"1214638"	582.503326	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+ACN+H"	42.033826
"1199615"	291.755301	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+ACN+2H"	43.041102
"191758"	1125.91016	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+2Na-H"	44.97116
"632050"	1666.37966	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+2Na-H"	44.97116
"1132398"	585.44066	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2Na-H"	44.97116
"173980"	563.458718	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+2Na"	45.978436
"613540"	833.693468	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+2Na"	45.978436
"1116195"	293.223968	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2Na"	45.978436
"1400443"	195.818404	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H+2Na"	46.985712
"1430057"	587.482246	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H+HCOOH"	47.012746
"220923"	568.49174	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+3H2O+2H"	56.04448
"1510942"	601.53429	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+IsoProp+H"	61.06479
"413183"	571.445688	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+Na+K"	61.952376
"777095"	841.680438	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+Na+K"	61.952376
"1678168"	301.210938	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Na+K"	61.952376
"263229"	1144.954768	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+ACN+Na"	64.015768
"1236303"	604.485268	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+ACN+Na"	64.015768
"1725188"	604.508793	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+NH4+HCOOH"	64.039293
"1190180"	203.145718	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+3Na"	68.967654
"1661164"	609.464188	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Na+HCOOH"	68.994688
"166933"	1157.85804	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+2K-H"	76.91904
"610868"	1698.32754	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+2K-H"	76.91904
"1097568"	617.38854	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2K-H"	76.91904
"154380"	579.432658	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"2M+2K"	77.926316
"590663"	849.667408	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"3M+2K"	77.926316
"1080643"	309.197908	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2K"	77.926316
"1113610"	619.403092	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2K+H"	78.933592
"1351177"	619.490707	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+DMSO+H"	79.021207
"1019862"	623.529876	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2ACN+H"	83.060376
"1537989"	624.523508	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+IsoProp+Na+H"	84.054008
"1003221"	312.268576	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+2ACN+2H"	84.067652
"1598940"	625.438128	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+K+HCOOH"	84.968628
"1416945"	655.469638	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+H+CF3COOH"	115.000138
"1150519"	332.781851	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+3ACN+2H"	125.094202
"1697121"	672.496185	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+NH4+CF3COOH"	132.026685
"1634993"	677.45158	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+Na+CF3COOH"	136.98208
"1584497"	693.42552	"C15857"	"99-dicis-zeta-Carotene;99-Di-cis-zeta-carotene"	"C40H60"	"540.4695"	"M+K+CF3COOH"	152.95602
"814863"	536.4382	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M"	0
"979647"	517.41981	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"74454"	356.618190666667	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"508548"	535.430924	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"888536"	177.805457333333	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"9296"	535.430924	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"449950"	803.650024	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"826657"	267.211824	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"81545"	1071.869124	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"525116"	1608.307324	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"907293"	535.430924	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"56199"	1088.895671	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"499769"	1625.333871	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"877936"	552.457471	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"42556"	1093.851066	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"478837"	1630.289266	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"851172"	557.412866	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1620705"	557.412866	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"103801"	553.419263	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"542272"	821.638363	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"939433"	285.200163	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"276530"	1107.845802	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"668949"	1644.284002	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1283539"	571.407602	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"28284"	1109.825006	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"470034"	1646.263206	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"848035"	573.386806	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1570104"	573.386806	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"957501"	581.436394	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"371948"	1117.874601	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"361375"	1131.890251	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1501384"	595.452051	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"966738"	603.418351	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"122205"	571.407602	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"558486"	839.626702	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1035304"	303.188502	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1254890"	615.357085	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1319162"	617.413072	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1327907"	639.395029	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"925531"	649.423786	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1295678"	685.400464	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1371652"	501.425524	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1386962"	519.4355	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"286647"	1073.883676	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"683445"	1610.321876	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1355420"	537.445476	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H"	1.007276
"133781"	537.445476	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"574070"	805.664576	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1044326"	269.226376	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"212226"	358.632742666667	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"648507"	537.445476	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1165174"	179.820009333333	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"429907"	1090.910223	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"793093"	1627.348423	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1691608"	554.472023	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"331505"	545.9587495	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"724291"	814.1778495	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1478840"	277.7396495	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"402616"	1095.865618	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"759239"	1632.303818	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1604784"	559.427418	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"318468"	548.436447	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"709802"	816.655547	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1463621"	280.217347	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1054190"	187.147323333333	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1257064"	569.471686	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"378452"	1111.839558	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"738837"	1648.277758	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1542724"	575.401358	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+K"	38.963158
"299898"	556.423417	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"693418"	824.642517	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1452343"	288.204317	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"242039"	1114.910226	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1215841"	578.472026	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1200818"	289.739651	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"193690"	1117.84756	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"635440"	1654.28576	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1132387"	581.40936	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"173362"	559.427418	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"614012"	827.646518	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1116911"	291.208318	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1400795"	194.474637333333	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1429979"	583.450946	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"220790"	564.46044	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1508696"	597.50299	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"415114"	567.414388	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"777205"	835.633488	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1677549"	299.195288	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"262245"	1136.892168	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1234955"	600.453968	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1724933"	600.477493	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1190290"	201.801951333333	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1662367"	605.432888	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"169230"	1149.79544	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"607699"	1686.23364	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1099018"	613.35724	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"153397"	575.401358	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"591867"	843.620458	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1080753"	307.182258	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1112869"	615.371792	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1350837"	615.459407	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1019972"	619.498576	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1535912"	620.492208	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"1003452"	310.252926	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1599049"	621.406828	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1415961"	651.438338	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1152815"	330.766201	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1697064"	668.464885	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1635103"	673.42028	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1584607"	689.39422	"C15858"	"7979-tetracis-Lycopene;7979-Tetra-cis-lycopene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"813880"	554.4488	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M"	0
"979757"	535.43041	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-H2O-H"	-19.01839
"76750"	368.625257333333	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M-3H"	-3.021828
"509751"	553.441524	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M-3H"	-3.021828
"891927"	183.808990666667	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-3H"	-3.021828
"9406"	553.441524	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M-2H"	-2.014552
"446780"	830.665924	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M-2H"	-2.014552
"823487"	276.217124	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-2H"	-2.014552
"86759"	1107.890324	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M-H"	-1.007276
"530694"	1662.339124	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M-H"	-1.007276
"907403"	553.441524	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-H"	-1.007276
"57402"	1124.916871	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M-2H+NH4"	16.019271
"498786"	1679.365671	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M-2H+NH4"	16.019271
"876953"	570.468071	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-2H+NH4"	16.019271
"33433"	1129.872266	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M-2H+Na"	20.974666
"475669"	1684.321066	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M-2H+Na"	20.974666
"854561"	575.423466	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-2H+Na"	20.974666
"1624096"	575.423466	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Na-2H"	20.974666
"102818"	571.429863	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M-H+Cl"	33.962126
"544568"	848.654263	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M-H+Cl"	33.962126
"938815"	294.205463	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-H+Cl"	33.962126
"278827"	1143.867002	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+Cl"	34.969402
"672340"	1698.315802	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+Cl"	34.969402
"1285835"	589.418202	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Cl"	34.969402
"28030"	1145.846206	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M-2H+K"	36.948606
"470142"	1700.295006	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M-2H+K"	36.948606
"848493"	591.397406	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-2H+K"	36.948606
"1570335"	591.397406	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+K-2H"	36.948606
"957124"	599.446994	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-H+HCOOH"	44.998194
"370965"	1153.895801	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+HCOOH-H"	44.998201
"361335"	1167.911451	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+Hac-H"	59.013851
"1502587"	613.462651	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Hac-H"	59.013851
"967940"	621.428951	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-H+NaCOOH"	66.980151
"119035"	589.418202	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+2Cl"	69.938804
"558596"	866.642602	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+2Cl"	69.938804
"1036142"	312.193802	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2Cl"	69.938804
"1251352"	633.367685	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Br"	78.918885
"1314896"	635.423672	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Cl+HCOOH"	80.974872
"1329110"	657.405629	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Cl+NaCOOH"	102.956829
"925641"	667.434386	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M-H+CF3COOH"	112.985586
"1295788"	703.411064	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Cl+CF3COOH"	148.962264
"1372855"	519.436124	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H-2H2O"	-35.012676
"1387072"	537.4461	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H-H2O"	-17.0027
"285665"	1109.904876	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+H"	1.007276
"683555"	1664.353676	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+H"	1.007276
"1354436"	555.456076	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H"	1.007276
"131702"	555.456076	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+2H"	2.014552
"568346"	832.680476	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+2H"	2.014552
"1042249"	278.231676	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2H"	2.014552
"209056"	370.639809333333	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+3H"	3.021828
"654084"	555.456076	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+3H"	3.021828
"1164920"	185.823542666667	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+3H"	3.021828
"428924"	1126.931423	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+NH4"	18.033823
"789924"	1681.380223	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+NH4"	18.033823
"1685159"	572.482623	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+NH4"	18.033823
"331615"	563.9693495	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+H+NH4"	19.041099
"722943"	841.1937495	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+H+NH4"	19.041099
"1477855"	286.7449495	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H+NH4"	19.041099
"398353"	1131.886818	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+Na"	22.989218
"755215"	1686.335618	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+Na"	22.989218
"1604530"	577.438018	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Na"	22.989218
"314931"	566.447047	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+H+Na"	23.996494
"711005"	843.671447	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+H+Na"	23.996494
"1464095"	289.222647	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H+Na"	23.996494
"1054787"	193.150856666667	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2H+Na"	25.00377
"1257678"	587.482286	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+CH3OH+H"	33.033486
"379050"	1147.860758	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+K"	38.963158
"739437"	1702.309558	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+K"	38.963158
"1541739"	593.411958	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+K"	38.963158
"301467"	574.434017	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+H+K"	39.970434
"692796"	851.658417	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+H+K"	39.970434
"1452453"	297.209617	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H+K"	39.970434
"241055"	1150.931426	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+ACN+H"	42.033826
"1212304"	596.482626	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+ACN+H"	42.033826
"1200928"	298.744951	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+ACN+2H"	43.041102
"191977"	1153.86876	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+2Na-H"	44.97116
"634457"	1708.31756	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+2Na-H"	44.97116
"1133588"	599.41996	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2Na-H"	44.97116
"175532"	577.438018	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+2Na"	45.978436
"614368"	854.662418	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+2Na"	45.978436
"1117507"	300.213618	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2Na"	45.978436
"1401635"	200.478170666667	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H+2Na"	46.985712
"1430240"	601.461546	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H+HCOOH"	47.012746
"220662"	582.47104	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+3H2O+2H"	56.04448
"1509334"	615.51359	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+IsoProp+H"	61.06479
"415224"	585.424988	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+Na+K"	61.952376
"779501"	862.649388	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+Na+K"	61.952376
"1678390"	308.200588	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Na+K"	61.952376
"259075"	1172.913368	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+ACN+Na"	64.015768
"1235064"	618.464568	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+ACN+Na"	64.015768
"1723585"	618.488093	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+NH4+HCOOH"	64.039293
"1188213"	207.805484666667	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+3Na"	68.967654
"1663206"	623.443488	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Na+HCOOH"	68.994688
"169341"	1185.81664	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+2K-H"	76.91904
"611698"	1740.26544	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+2K-H"	76.91904
"1098159"	631.36784	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2K-H"	76.91904
"155572"	593.411958	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"2M+2K"	77.926316
"590884"	870.636358	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"3M+2K"	77.926316
"1078676"	316.187558	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2K"	77.926316
"1114928"	633.382392	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2K+H"	78.933592
"1350463"	633.470007	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+DMSO+H"	79.021207
"1019961"	637.509176	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2ACN+H"	83.060376
"1538088"	638.502808	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+IsoProp+Na+H"	84.054008
"1005144"	319.258226	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+2ACN+2H"	84.067652
"1601349"	639.417428	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+K+HCOOH"	84.968628
"1416070"	669.448938	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+H+CF3COOH"	115.000138
"1156205"	339.771501	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+3ACN+2H"	125.094202
"1697043"	686.475485	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+NH4+CF3COOH"	132.026685
"1634849"	691.43088	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+Na+CF3COOH"	136.98208
"1584717"	707.40482	"C15859"	"1-Hydroxy-gamma-carotene"	"C40H58O"	"554.4488"	"M+K+CF3COOH"	152.95602
"811803"	552.4331	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M"	0
"978773"	533.41471	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"70298"	367.281457333333	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"510954"	551.425824	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"885476"	183.137090666667	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"7328"	551.425824	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"447983"	827.642374	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"825783"	275.209274	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"84682"	1103.858924	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"528616"	1656.292024	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"908607"	551.425824	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"58605"	1120.885471	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"499260"	1673.318571	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"877062"	568.452371	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"34758"	1125.840866	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"474685"	1678.273966	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"851390"	573.407766	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1623112"	573.407766	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"104020"	569.414163	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"545771"	845.630713	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"939288"	293.197613	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"280758"	1139.835602	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"674151"	1692.268702	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1287038"	587.402502	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"29597"	1141.814806	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"469522"	1694.247906	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"848428"	589.381706	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1571210"	589.381706	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"955410"	597.431294	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"372898"	1149.864401	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"360914"	1163.880051	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1503427"	611.446951	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"970968"	619.413251	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"123884"	587.402502	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"559799"	863.619052	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1029692"	311.185952	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1251463"	631.351985	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1315006"	633.407972	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1329220"	655.389929	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"925387"	665.418686	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1298084"	701.395364	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1371872"	517.420424	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1387182"	535.4304	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"286139"	1105.873476	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"683665"	1658.306576	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1354910"	553.440376	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H"	1.007276
"134364"	553.440376	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"575381"	829.656926	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1041266"	277.223826	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"211353"	369.296009333333	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"652007"	553.440376	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1164666"	185.151642666667	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"429033"	1122.900023	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"791127"	1675.333123	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1686363"	570.466923	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"330630"	561.9536495	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"723539"	838.1701995	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1479789"	285.7370995	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"395545"	1127.855418	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"754592"	1680.288518	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1603909"	575.422318	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"314385"	564.431347	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"708930"	840.647897	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1463476"	288.214797	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1054897"	192.478956666667	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1258033"	585.466586	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"377823"	1143.829358	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"740156"	1696.262458	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1541120"	591.396258	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+K"	38.963158
"300848"	572.418317	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"692906"	848.634867	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1452563"	296.201767	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"241165"	1146.900026	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1211686"	594.466926	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1199945"	297.737101	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"197190"	1149.83736	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"634567"	1702.27046	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1134791"	597.40426	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"174433"	575.422318	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"614839"	851.638868	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1117855"	299.205768	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1400651"	199.806270666667	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1433506"	599.445846	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"222110"	580.45534	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1510901"	613.49789	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"415334"	583.409288	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"774144"	859.625838	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1675946"	307.192738	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"260278"	1168.881968	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1237360"	616.448868	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1725881"	616.472393	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1189416"	207.133584666667	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1665139"	621.427788	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"169451"	1181.78524	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"612055"	1734.21834	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1097179"	629.35214	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"156536"	591.396258	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"596547"	867.612808	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1083405"	315.179708	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1114798"	631.366692	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1350693"	631.454307	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1020318"	635.493476	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1538565"	636.487108	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1003310"	318.250376	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1600366"	637.401728	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1429303"	667.433238	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1154124"	338.763651	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1697234"	684.459785	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1634309"	689.41518	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1584827"	705.38912	"C15860"	"1-Hydroxytorulene;Myxocoxanthin"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"811914"	716.5016	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M"	0
"985447"	697.48321	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-H2O-H"	-19.01839
"68222"	476.660457333333	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M-3H"	-3.021828
"518411"	715.494324	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M-3H"	-3.021828
"894333"	237.826590666667	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-3H"	-3.021828
"7439"	715.494324	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M-2H"	-2.014552
"444815"	1073.745124	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M-2H"	-2.014552
"831363"	357.243524	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-2H"	-2.014552
"88075"	1431.995924	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M-H"	-1.007276
"530915"	2148.497524	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M-H"	-1.007276
"903250"	715.494324	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-H"	-1.007276
"58717"	1449.022471	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M-2H+NH4"	16.019271
"502575"	2165.524071	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M-2H+NH4"	16.019271
"873891"	732.520871	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-2H+NH4"	16.019271
"37422"	1453.977866	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M-2H+Na"	20.974666
"472605"	2170.479466	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M-2H+Na"	20.974666
"851865"	737.476266	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-2H+Na"	20.974666
"1624316"	737.476266	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Na-2H"	20.974666
"106317"	733.482663	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M-H+Cl"	33.962126
"547342"	1091.733463	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M-H+Cl"	33.962126
"942316"	375.231863	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-H+Cl"	33.962126
"278684"	1467.972602	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+Cl"	34.969402
"672198"	2184.474202	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+Cl"	34.969402
"1287148"	751.471002	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Cl"	34.969402
"29710"	1469.951806	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M-2H+K"	36.948606
"470932"	2186.453406	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M-2H+K"	36.948606
"845610"	753.450206	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-2H+K"	36.948606
"1569464"	753.450206	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+K-2H"	36.948606
"955156"	761.499794	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-H+HCOOH"	44.998194
"375560"	1478.001401	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+HCOOH-H"	44.998201
"360052"	1492.017051	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+Hac-H"	59.013851
"1505724"	775.515451	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Hac-H"	59.013851
"972659"	783.481751	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-H+NaCOOH"	66.980151
"123265"	751.471002	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+2Cl"	69.938804
"559909"	1109.721802	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+2Cl"	69.938804
"1028709"	393.220202	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2Cl"	69.938804
"1250480"	795.420485	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Br"	78.918885
"1316209"	797.476472	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Cl+HCOOH"	80.974872
"1328237"	819.458429	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Cl+NaCOOH"	102.956829
"918565"	829.487186	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M-H+CF3COOH"	112.985586
"1296008"	865.463864	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Cl+CF3COOH"	148.962264
"1373076"	681.488924	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H-2H2O"	-35.012676
"1387657"	699.4989	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H-H2O"	-17.0027
"285884"	1434.010476	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+H"	1.007276
"682682"	2150.512076	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+H"	1.007276
"1354291"	717.508876	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H"	1.007276
"134475"	717.508876	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+2H"	2.014552
"573669"	1075.759676	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+2H"	2.014552
"1044293"	359.258076	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2H"	2.014552
"210370"	478.675009333333	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+3H"	3.021828
"649931"	717.508876	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+3H"	3.021828
"1163681"	239.841142666667	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+3H"	3.021828
"434615"	1451.037023	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+NH4"	18.033823
"792331"	2167.538623	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+NH4"	18.033823
"1684285"	734.535423	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+NH4"	18.033823
"335846"	726.0221495	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+H+NH4"	19.041099
"724255"	1084.2729495	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+H+NH4"	19.041099
"1477177"	367.7713495	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H+NH4"	19.041099
"393264"	1455.992418	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+Na"	22.989218
"754406"	2172.494018	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+Na"	22.989218
"1602785"	739.490818	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Na"	22.989218
"315153"	728.499847	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+H+Na"	23.996494
"709161"	1086.750647	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+H+Na"	23.996494
"1462980"	370.249047	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H+Na"	23.996494
"1053796"	247.168456666667	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2H+Na"	25.00377
"1257779"	749.535086	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+CH3OH+H"	33.033486
"377245"	1471.966358	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+K"	38.963158
"738696"	2188.467958	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+K"	38.963158
"1543789"	755.464758	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+K"	38.963158
"304244"	736.486817	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+H+K"	39.970434
"691475"	1094.737617	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+H+K"	39.970434
"1452673"	378.236017	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H+K"	39.970434
"237994"	1475.037026	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+ACN+H"	42.033826
"1210378"	758.535426	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+ACN+H"	42.033826
"1196044"	379.771351	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+ACN+2H"	43.041102
"189277"	1477.97436	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+2Na-H"	44.97116
"632488"	2194.47596	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+2Na-H"	44.97116
"1132101"	761.47276	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2Na-H"	44.97116
"173443"	739.490818	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+2Na"	45.978436
"613369"	1097.741618	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+2Na"	45.978436
"1116140"	381.240018	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2Na"	45.978436
"1399176"	254.495770666667	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H+2Na"	46.985712
"1429922"	763.514346	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H+HCOOH"	47.012746
"221490"	744.52384	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+3H2O+2H"	56.04448
"1511377"	777.56639	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+IsoProp+H"	61.06479
"410702"	747.477788	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+Na+K"	61.952376
"773158"	1105.728588	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+Na+K"	61.952376
"1673867"	389.226988	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Na+K"	61.952376
"262574"	1497.018968	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+ACN+Na"	64.015768
"1238930"	780.517368	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+ACN+Na"	64.015768
"1727451"	780.540893	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+NH4+HCOOH"	64.039293
"1192442"	261.823084666667	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+3Na"	68.967654
"1664883"	785.496288	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Na+HCOOH"	68.994688
"172362"	1509.92224	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+2K-H"	76.91904
"609122"	2226.42384	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+2K-H"	76.91904
"1099432"	793.42064	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2K-H"	76.91904
"156403"	755.464758	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"2M+2K"	77.926316
"595356"	1113.715558	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"3M+2K"	77.926316
"1083840"	397.213958	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2K"	77.926316
"1115541"	795.435192	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2K+H"	78.933592
"1350437"	795.522807	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+DMSO+H"	79.021207
"1021237"	799.561976	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2ACN+H"	83.060376
"1538185"	800.555608	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+IsoProp+Na+H"	84.054008
"1005242"	400.284626	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+2ACN+2H"	84.067652
"1601568"	801.470228	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+K+HCOOH"	84.968628
"1420666"	831.501738	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+H+CF3COOH"	115.000138
"1152047"	420.797901	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+3ACN+2H"	125.094202
"1697468"	848.528285	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+NH4+CF3COOH"	132.026685
"1634461"	853.48368	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+Na+CF3COOH"	136.98208
"1584937"	869.45762	"C15861"	"1-Hydroxy-gamma-carotene glucoside"	"C46H68O6"	"716.5016"	"M+K+CF3COOH"	152.95602
"808747"	534.4226	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M"	0
"982281"	515.40421	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-H2O-H"	-19.01839
"69429"	355.274457333333	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M-3H"	-3.021828
"507895"	533.415324	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M-3H"	-3.021828
"882779"	177.133590666667	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-3H"	-3.021828
"7549"	533.415324	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M-2H"	-2.014552
"451484"	800.626624	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M-2H"	-2.014552
"821268"	266.204024	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-2H"	-2.014552
"88185"	1067.837924	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M-H"	-1.007276
"525560"	1602.260524	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M-H"	-1.007276
"898259"	533.415324	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-H"	-1.007276
"52632"	1084.864471	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M-2H+NH4"	16.019271
"490735"	1619.287071	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M-2H+NH4"	16.019271
"870730"	550.441871	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-2H+NH4"	16.019271
"41916"	1089.819866	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M-2H+Na"	20.974666
"481475"	1624.242466	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M-2H+Na"	20.974666
"859643"	555.397266	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-2H+Na"	20.974666
"1627716"	555.397266	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Na-2H"	20.974666
"103151"	551.403663	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M-H+Cl"	33.962126
"547452"	818.614963	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M-H+Cl"	33.962126
"942061"	284.192363	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-H+Cl"	33.962126
"279157"	1103.814602	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+Cl"	34.969402
"671945"	1638.237202	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+Cl"	34.969402
"1287267"	569.392002	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Cl"	34.969402
"30553"	1105.793806	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M-2H+K"	36.948606
"470232"	1640.216406	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M-2H+K"	36.948606
"846088"	571.371206	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-2H+K"	36.948606
"1569822"	571.371206	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+K-2H"	36.948606
"955276"	579.420794	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-H+HCOOH"	44.998194
"372393"	1113.843401	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+HCOOH-H"	44.998201
"356277"	1127.859051	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+Hac-H"	59.013851
"1505109"	593.436451	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Hac-H"	59.013851
"969372"	601.402751	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-H+NaCOOH"	66.980151
"124122"	569.392002	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+2Cl"	69.938804
"563681"	836.603302	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+2Cl"	69.938804
"1035025"	302.180702	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2Cl"	69.938804
"1254970"	613.341485	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Br"	78.918885
"1311221"	615.397472	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Cl+HCOOH"	80.974872
"1330539"	637.379429	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Cl+NaCOOH"	102.956829
"918320"	647.408186	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M-H+CF3COOH"	112.985586
"1292839"	683.384864	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Cl+CF3COOH"	148.962264
"1372094"	499.409924	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H-2H2O"	-35.012676
"1394335"	517.4199	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H-H2O"	-17.0027
"293656"	1069.852476	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+H"	1.007276
"678420"	1604.275076	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+H"	1.007276
"1359144"	535.429876	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H"	1.007276
"130938"	535.429876	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+2H"	2.014552
"569771"	802.641176	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+2H"	2.014552
"1044772"	268.218576	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2H"	2.014552
"206114"	357.289009333333	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+3H"	3.021828
"647131"	535.429876	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+3H"	3.021828
"1165255"	179.148142666667	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+3H"	3.021828
"431443"	1086.879023	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+NH4"	18.033823
"789158"	1621.301623	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+NH4"	18.033823
"1682571"	552.456423	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+NH4"	18.033823
"332673"	543.9431495	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+H+NH4"	19.041099
"722914"	811.1544495	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+H+NH4"	19.041099
"1477828"	276.7318495	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H+NH4"	19.041099
"397604"	1091.834418	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+Na"	22.989218
"755682"	1626.257018	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+Na"	22.989218
"1605966"	557.411818	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Na"	22.989218
"318918"	546.420847	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+H+Na"	23.996494
"717908"	813.632147	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+H+Na"	23.996494
"1467354"	279.209547	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H+Na"	23.996494
"1058414"	186.475456666667	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2H+Na"	25.00377
"1269934"	567.456086	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+CH3OH+H"	33.033486
"389603"	1107.808358	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+K"	38.963158
"750598"	1642.230958	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+K"	38.963158
"1550463"	573.385758	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+K"	38.963158
"303628"	554.407817	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+H+K"	39.970434
"698972"	821.619117	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+H+K"	39.970434
"1450605"	287.196517	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H+K"	39.970434
"240301"	1110.879026	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+ACN+H"	42.033826
"1215197"	576.456426	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+ACN+H"	42.033826
"1198714"	288.731851	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+ACN+2H"	43.041102
"191585"	1113.81636	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+2Na-H"	44.97116
"630779"	1648.23896	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+2Na-H"	44.97116
"1131413"	579.39376	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2Na-H"	44.97116
"175754"	557.411818	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+2Na"	45.978436
"612991"	824.623118	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+2Na"	45.978436
"1116636"	290.200518	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2Na"	45.978436
"1404171"	193.802770666667	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H+2Na"	46.985712
"1433370"	581.435346	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H+HCOOH"	47.012746
"226714"	562.44484	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+3H2O+2H"	56.04448
"1510035"	595.48739	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+IsoProp+H"	61.06479
"415557"	565.398788	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+Na+K"	61.952376
"779834"	832.610088	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+Na+K"	61.952376
"1676166"	298.187488	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Na+K"	61.952376
"261593"	1132.860968	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+ACN+Na"	64.015768
"1236490"	598.438368	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+ACN+Na"	64.015768
"1724647"	598.461893	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+NH4+HCOOH"	64.039293
"1191458"	201.130084666667	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+3Na"	68.967654
"1663536"	603.417288	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Na+HCOOH"	68.994688
"167486"	1145.76424	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+2K-H"	76.91904
"607045"	1680.18684	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+2K-H"	76.91904
"1094837"	611.34164	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2K-H"	76.91904
"151653"	573.385758	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"2M+2K"	77.926316
"592308"	840.597058	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"3M+2K"	77.926316
"1080100"	306.174458	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2K"	77.926316
"1111125"	613.356192	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2K+H"	78.933592
"1342041"	613.443807	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+DMSO+H"	79.021207
"1009479"	617.482976	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2ACN+H"	83.060376
"1525788"	618.476608	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+IsoProp+Na+H"	84.054008
"999532"	309.245126	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+2ACN+2H"	84.067652
"1598408"	619.391228	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+K+HCOOH"	84.968628
"1425160"	649.422738	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+H+CF3COOH"	115.000138
"1159823"	329.758401	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+3ACN+2H"	125.094202
"1711562"	666.449285	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+NH4+CF3COOH"	132.026685
"1647214"	671.40468	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+Na+CF3COOH"	136.98208
"1585049"	687.37862	"C15867"	"34-Dehydrolycopene;all-trans-34-Didehydrolycopene"	"C40H54"	"534.4226"	"M+K+CF3COOH"	152.95602
"805583"	552.4331	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M"	0
"978021"	533.41471	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"69545"	367.281457333333	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"511292"	551.425824	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"883628"	183.137090666667	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"9857"	551.425824	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"445043"	827.642374	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"825033"	275.209274	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"85025"	1103.858924	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"522398"	1656.292024	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"895721"	551.425824	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"49105"	1120.885471	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"489759"	1673.318571	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"870840"	568.452371	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"38741"	1125.840866	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"475019"	1678.273966	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"853918"	573.407766	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1626733"	573.407766	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"104723"	569.414163	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"542823"	845.630713	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"937067"	293.197613	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"279269"	1139.835602	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"671689"	1692.268702	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1286649"	587.402502	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"27377"	1141.814806	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"468033"	1694.247906	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"844012"	589.381706	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1567500"	589.381706	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"955383"	597.431294	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"374329"	1149.864401	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"349101"	1163.880051	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1499026"	611.446951	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"961105"	619.413251	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"114020"	587.402502	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"555039"	863.619052	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1030764"	311.185952	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1247064"	631.351985	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1310973"	633.407972	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1328468"	655.389929	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"915881"	665.418686	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1292590"	701.395364	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1372573"	517.420424	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1386437"	535.4304	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"283935"	1105.873476	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"675730"	1658.306576	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1352340"	553.440376	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H"	1.007276
"126687"	553.440376	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"565729"	829.656926	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1037710"	277.223826	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"204758"	369.296009333333	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"644442"	553.440376	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1165376"	185.151642666667	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"435944"	1122.900023	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"794752"	1675.333123	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1691083"	570.466923	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"338265"	561.9536495	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"731782"	838.1701995	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1481232"	285.7370995	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"397727"	1127.855418	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"758721"	1680.288518	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1604633"	575.422318	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"315518"	564.431347	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"712557"	840.647897	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1465283"	288.214797	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1059622"	192.478956666667	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1260212"	585.466586	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"377485"	1143.829358	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"738533"	1696.262458	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1540369"	591.396258	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+K"	38.963158
"301191"	572.418317	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"695800"	848.634867	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1449620"	296.201767	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"235954"	1146.900026	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1210358"	594.466926	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1195182"	297.737101	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"193164"	1149.83736	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"630901"	1702.27046	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1133673"	597.40426	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"174047"	575.422318	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"620174"	851.638868	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1128055"	299.205768	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1411579"	199.806270666667	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1442237"	599.445846	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"231203"	580.45534	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1520361"	613.49789	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"414579"	583.409288	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"781408"	859.625838	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1669721"	307.192738	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"256240"	1168.881968	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1230410"	616.448868	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1716744"	616.472393	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1184286"	207.133584666667	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1656366"	621.427788	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"165416"	1181.78524	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"598778"	1734.21834	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1092774"	629.35214	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"149590"	591.396258	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"590246"	867.612808	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1078040"	315.179708	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1106876"	631.366692	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1345083"	631.454307	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1015071"	635.493476	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1529915"	636.487108	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"1000739"	318.250376	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1597427"	637.401728	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1422000"	667.433238	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1152290"	338.763651	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1711680"	684.459785	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1649399"	689.41518	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1585167"	705.38912	"C15874"	"34-Dehydrorhodopin;34-Didehydrorhodopin;1-Hydroxy-34-didehydro-12-dihydrolycopene"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"814446"	566.4488	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M"	0
"988707"	547.43041	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-H2O-H"	-19.01839
"75125"	376.625257333333	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M-3H"	-3.021828
"516873"	565.441524	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M-3H"	-3.021828
"890301"	187.808990666667	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-3H"	-3.021828
"13615"	565.441524	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M-2H"	-2.014552
"451354"	848.665924	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M-2H"	-2.014552
"825145"	282.217124	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-2H"	-2.014552
"86229"	1131.890324	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M-H"	-1.007276
"525789"	1698.339124	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M-H"	-1.007276
"908332"	565.441524	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-H"	-1.007276
"59062"	1148.916871	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M-2H+NH4"	16.019271
"498622"	1715.365671	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M-2H+NH4"	16.019271
"877885"	582.468071	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-2H+NH4"	16.019271
"46638"	1153.872266	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M-2H+Na"	20.974666
"485473"	1720.321066	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M-2H+Na"	20.974666
"863152"	587.423466	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-2H+Na"	20.974666
"1633781"	587.423466	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Na-2H"	20.974666
"109333"	583.429863	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M-H+Cl"	33.962126
"547674"	866.654263	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M-H+Cl"	33.962126
"936447"	300.205463	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-H+Cl"	33.962126
"279379"	1167.867002	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+Cl"	34.969402
"670343"	1734.315802	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+Cl"	34.969402
"1280561"	601.418202	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Cl"	34.969402
"25668"	1169.846206	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M-2H+K"	36.948606
"465590"	1736.295006	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M-2H+K"	36.948606
"841936"	603.397406	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-2H+K"	36.948606
"1565422"	603.397406	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+K-2H"	36.948606
"951131"	611.446994	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-H+HCOOH"	44.998194
"371168"	1177.895801	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+HCOOH-H"	44.998201
"353229"	1191.911451	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+Hac-H"	59.013851
"1503156"	625.462651	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Hac-H"	59.013851
"968511"	633.428951	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-H+NaCOOH"	66.980151
"117418"	601.418202	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+2Cl"	69.938804
"552239"	884.642602	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+2Cl"	69.938804
"1024687"	318.193802	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2Cl"	69.938804
"1244626"	645.367685	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Br"	78.918885
"1305743"	647.423672	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Cl+HCOOH"	80.974872
"1322389"	669.405629	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Cl+NaCOOH"	102.956829
"917457"	679.434386	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M-H+CF3COOH"	112.985586
"1300732"	715.411064	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Cl+CF3COOH"	148.962264
"1379622"	531.436124	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H-2H2O"	-35.012676
"1396389"	549.4461	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H-H2O"	-17.0027
"293888"	1133.904876	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+H"	1.007276
"684123"	1700.353676	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+H"	1.007276
"1355005"	567.456076	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H"	1.007276
"127166"	567.456076	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+2H"	2.014552
"567085"	850.680476	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+2H"	2.014552
"1038436"	284.231676	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2H"	2.014552
"206337"	378.639809333333	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+3H"	3.021828
"645905"	567.456076	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+3H"	3.021828
"1167311"	189.823542666667	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+3H"	3.021828
"432773"	1150.931423	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+NH4"	18.033823
"793771"	1717.380223	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+NH4"	18.033823
"1687915"	584.482623	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+NH4"	18.033823
"336193"	575.9693495	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+H+NH4"	19.041099
"728617"	859.1937495	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+H+NH4"	19.041099
"1482437"	292.7449495	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H+NH4"	19.041099
"394556"	1155.886818	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+Na"	22.989218
"759924"	1722.335618	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+Na"	22.989218
"1612397"	589.438018	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Na"	22.989218
"322437"	578.447047	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+H+Na"	23.996494
"717045"	861.671447	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+H+Na"	23.996494
"1466493"	295.222647	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H+Na"	23.996494
"1058645"	197.150856666667	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2H+Na"	25.00377
"1259591"	599.482286	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+CH3OH+H"	33.033486
"380351"	1171.860758	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+K"	38.963158
"744262"	1738.309558	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+K"	38.963158
"1546314"	605.411958	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+K"	38.963158
"302398"	586.434017	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+H+K"	39.970434
"694093"	869.658417	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+H+K"	39.970434
"1447552"	303.209617	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H+K"	39.970434
"236188"	1174.931426	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+ACN+H"	42.033826
"1212144"	608.482626	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+ACN+H"	42.033826
"1199308"	304.744951	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+ACN+2H"	43.041102
"191449"	1177.86876	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+2Na-H"	44.97116
"630645"	1744.31756	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+2Na-H"	44.97116
"1141808"	611.41996	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2Na-H"	44.97116
"179630"	589.438018	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+2Na"	45.978436
"618097"	872.662418	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+2Na"	45.978436
"1129625"	306.213618	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2Na"	45.978436
"1412782"	204.478170666667	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H+2Na"	46.985712
"1440524"	613.461546	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H+HCOOH"	47.012746
"232043"	594.47104	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+3H2O+2H"	56.04448
"1517190"	627.51359	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+IsoProp+H"	61.06479
"420156"	597.424988	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+Na+K"	61.952376
"781153"	880.649388	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+Na+K"	61.952376
"1677121"	314.200588	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Na+K"	61.952376
"264369"	1196.913368	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+ACN+Na"	64.015768
"1234526"	630.464568	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+ACN+Na"	64.015768
"1719040"	630.488093	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+NH4+HCOOH"	64.039293
"1182208"	211.805484666667	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+3Na"	68.967654
"1652465"	635.443488	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Na+HCOOH"	68.994688
"158234"	1209.81664	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+2K-H"	76.91904
"598398"	1776.26544	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+2K-H"	76.91904
"1084494"	643.36784	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2K-H"	76.91904
"144232"	605.411958	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"2M+2K"	77.926316
"587440"	888.636358	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"3M+2K"	77.926316
"1077785"	322.187558	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2K"	77.926316
"1101637"	645.382392	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2K+H"	78.933592
"1347745"	645.470007	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+DMSO+H"	79.021207
"1016276"	649.509176	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2ACN+H"	83.060376
"1538414"	650.502808	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+IsoProp+Na+H"	84.054008
"994290"	325.258226	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+2ACN+2H"	84.067652
"1596448"	651.417428	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+K+HCOOH"	84.968628
"1424295"	681.448938	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+H+CF3COOH"	115.000138
"1161145"	345.771501	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+3ACN+2H"	125.094202
"1708509"	698.475485	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+NH4+CF3COOH"	132.026685
"1649264"	703.43088	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+Na+CF3COOH"	136.98208
"1578716"	719.40482	"C15877"	"Anhydrorhodovibrin"	"C41H58O"	"566.4488"	"M+K+CF3COOH"	152.95602
"814558"	584.4593	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M"	0
"988816"	565.44091	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-H2O-H"	-19.01839
"74144"	388.632257333333	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M-3H"	-3.021828
"515890"	583.452024	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M-3H"	-3.021828
"895031"	193.812490666667	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-3H"	-3.021828
"14828"	583.452024	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M-2H"	-2.014552
"454867"	875.681674	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M-2H"	-2.014552
"824162"	291.222374	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-2H"	-2.014552
"89619"	1167.911324	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M-H"	-1.007276
"526992"	1752.370624	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M-H"	-1.007276
"910145"	583.452024	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-H"	-1.007276
"60630"	1184.937871	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M-2H+NH4"	16.019271
"501042"	1769.397171	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M-2H+NH4"	16.019271
"877871"	600.478571	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-2H+NH4"	16.019271
"44436"	1189.893266	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M-2H+Na"	20.974666
"485461"	1774.352566	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M-2H+Na"	20.974666
"863019"	605.433966	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-2H+Na"	20.974666
"1633286"	605.433966	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Na-2H"	20.974666
"109529"	601.440363	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M-H+Cl"	33.962126
"547784"	893.670013	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M-H+Cl"	33.962126
"937650"	309.210713	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-H+Cl"	33.962126
"280581"	1203.888002	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+Cl"	34.969402
"672638"	1788.347302	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+Cl"	34.969402
"1281764"	619.428702	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Cl"	34.969402
"25778"	1205.867206	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M-2H+K"	36.948606
"466429"	1790.326506	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M-2H+K"	36.948606
"840954"	621.407906	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-2H+K"	36.948606
"1563346"	621.407906	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+K-2H"	36.948606
"952336"	629.457494	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-H+HCOOH"	44.998194
"371643"	1213.916801	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+HCOOH-H"	44.998201
"354434"	1227.932451	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+Hac-H"	59.013851
"1504361"	643.473151	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Hac-H"	59.013851
"972269"	651.439451	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-H+NaCOOH"	66.980151
"117528"	619.428702	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+2Cl"	69.938804
"551622"	911.658352	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+2Cl"	69.938804
"1024797"	327.199052	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2Cl"	69.938804
"1245101"	663.378185	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Br"	78.918885
"1305732"	665.434172	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Cl+HCOOH"	80.974872
"1322499"	687.416129	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Cl+NaCOOH"	102.956829
"917567"	697.444886	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M-H+CF3COOH"	112.985586
"1301211"	733.421564	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Cl+CF3COOH"	148.962264
"1379733"	549.446624	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H-2H2O"	-35.012676
"1389938"	567.4566	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H-H2O"	-17.0027
"290718"	1169.925876	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+H"	1.007276
"684234"	1754.385176	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+H"	1.007276
"1352927"	585.466576	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H"	1.007276
"127276"	585.466576	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+2H"	2.014552
"567923"	877.696226	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+2H"	2.014552
"1039275"	293.236926	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2H"	2.014552
"207912"	390.646809333333	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+3H"	3.021828
"647107"	585.466576	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+3H"	3.021828
"1170704"	195.827042666667	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+3H"	3.021828
"438720"	1186.952423	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+NH4"	18.033823
"793880"	1771.411723	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+NH4"	18.033823
"1689120"	602.493123	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+NH4"	18.033823
"336305"	593.9798495	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+H+NH4"	19.041099
"727633"	886.2094995	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+H+NH4"	19.041099
"1485828"	301.7501995	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H+NH4"	19.041099
"400134"	1191.907818	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+Na"	22.989218
"762222"	1776.367118	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+Na"	22.989218
"1609228"	607.448518	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Na"	22.989218
"321454"	596.457547	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+H+Na"	23.996494
"713875"	888.687197	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+H+Na"	23.996494
"1467696"	304.227897	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H+Na"	23.996494
"1058755"	203.154356666667	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2H+Na"	25.00377
"1259702"	617.492786	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+CH3OH+H"	33.033486
"379368"	1207.881758	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+K"	38.963158
"743278"	1792.341058	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+K"	38.963158
"1546426"	623.422458	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+K"	38.963158
"303602"	604.444517	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+H+K"	39.970434
"693839"	896.674167	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+H+K"	39.970434
"1447662"	312.214867	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H+K"	39.970434
"236176"	1210.952426	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+ACN+H"	42.033826
"1212249"	626.493126	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+ACN+H"	42.033826
"1199418"	313.750201	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+ACN+2H"	43.041102
"193383"	1213.88976	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+2Na-H"	44.97116
"631483"	1798.34906	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+2Na-H"	44.97116
"1143011"	629.43046	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2Na-H"	44.97116
"184115"	607.448518	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+2Na"	45.978436
"622582"	899.678168	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+2Na"	45.978436
"1123900"	315.218868	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2Na"	45.978436
"1412892"	210.481670666667	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H+2Na"	46.985712
"1441727"	631.472046	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H+HCOOH"	47.012746
"230330"	612.48154	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+3H2O+2H"	56.04448
"1519487"	645.52409	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+IsoProp+H"	61.06479
"420999"	615.435488	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+Na+K"	61.952376
"783453"	907.665138	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+Na+K"	61.952376
"1677960"	323.205838	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Na+K"	61.952376
"264117"	1232.934368	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+ACN+Na"	64.015768
"1235730"	648.475068	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+ACN+Na"	64.015768
"1714897"	648.498593	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+NH4+HCOOH"	64.039293
"1185600"	217.808984666667	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+3Na"	68.967654
"1655493"	653.453988	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Na+HCOOH"	68.994688
"157734"	1245.83764	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+2K-H"	76.91904
"597658"	1830.29694	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+2K-H"	76.91904
"1084968"	661.37834	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2K-H"	76.91904
"144342"	623.422458	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"2M+2K"	77.926316
"586821"	915.652108	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"3M+2K"	77.926316
"1077895"	331.192808	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2K"	77.926316
"1112928"	663.392892	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2K+H"	78.933592
"1348220"	663.480507	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+DMSO+H"	79.021207
"1016386"	667.519676	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2ACN+H"	83.060376
"1535609"	668.513308	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+IsoProp+Na+H"	84.054008
"999868"	334.263476	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+2ACN+2H"	84.067652
"1591092"	669.427928	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+K+HCOOH"	84.968628
"1421127"	699.459438	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+H+CF3COOH"	115.000138
"1152508"	354.776751	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+3ACN+2H"	125.094202
"1703151"	716.485985	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+NH4+CF3COOH"	132.026685
"1644270"	721.44138	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+Na+CF3COOH"	136.98208
"1575547"	737.41532	"C15878"	"Rhodovibrin"	"C41H60O2"	"584.4593"	"M+K+CF3COOH"	152.95602
"814665"	582.4437	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M"	0
"988925"	563.42531	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-H2O-H"	-19.01839
"77170"	387.288524	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M-3H"	-3.021828
"515999"	581.436424	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M-3H"	-3.021828
"892709"	193.140624	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-3H"	-3.021828
"12742"	581.436424	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M-2H"	-2.014552
"452667"	872.658274	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M-2H"	-2.014552
"824272"	290.214574	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-2H"	-2.014552
"83169"	1163.880124	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M-H"	-1.007276
"520177"	1746.323824	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M-H"	-1.007276
"903812"	581.436424	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-H"	-1.007276
"56001"	1180.906671	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M-2H+NH4"	16.019271
"497748"	1763.350371	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M-2H+NH4"	16.019271
"875549"	598.462971	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-2H+NH4"	16.019271
"43451"	1185.862066	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M-2H+Na"	20.974666
"486542"	1768.305766	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M-2H+Na"	20.974666
"863611"	603.418366	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-2H+Na"	20.974666
"1633144"	603.418366	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Na-2H"	20.974666
"109716"	599.424763	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M-H+Cl"	33.962126
"545342"	890.646613	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M-H+Cl"	33.962126
"934481"	308.202913	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-H+Cl"	33.962126
"280327"	1199.856802	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+Cl"	34.969402
"666553"	1782.300502	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+Cl"	34.969402
"1276773"	617.413102	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Cl"	34.969402
"21877"	1201.836006	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M-2H+K"	36.948606
"461072"	1784.279706	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M-2H+K"	36.948606
"838873"	619.392306	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-2H+K"	36.948606
"1563454"	619.392306	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+K-2H"	36.948606
"948058"	627.441894	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-H+HCOOH"	44.998194
"367379"	1209.885601	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+HCOOH-H"	44.998201
"355637"	1223.901251	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+Hac-H"	59.013851
"1505930"	641.457551	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Hac-H"	59.013851
"970919"	649.423851	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-H+NaCOOH"	66.980151
"114358"	617.413102	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+2Cl"	69.938804
"556105"	908.634952	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+2Cl"	69.938804
"1023448"	326.191252	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2Cl"	69.938804
"1247761"	661.362585	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Br"	78.918885
"1309122"	663.418572	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Cl+HCOOH"	80.974872
"1324432"	685.400529	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Cl+NaCOOH"	102.956829
"919864"	695.429286	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M-H+CF3COOH"	112.985586
"1300955"	731.405964	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Cl+CF3COOH"	148.962264
"1379114"	547.431024	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H-2H2O"	-35.012676
"1395515"	565.441	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H-H2O"	-17.0027
"290828"	1165.894676	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+H"	1.007276
"683251"	1748.338376	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+H"	1.007276
"1354132"	583.450976	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H"	1.007276
"127382"	583.450976	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+2H"	2.014552
"566212"	874.672826	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+2H"	2.014552
"1038654"	292.229126	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2H"	2.014552
"206559"	389.303076	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+3H"	3.021828
"646485"	583.450976	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+3H"	3.021828
"1169721"	195.155176	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+3H"	3.021828
"435183"	1182.921223	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+NH4"	18.033823
"793991"	1765.364923	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+NH4"	18.033823
"1689230"	600.477523	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+NH4"	18.033823
"336415"	591.9642495	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+H+NH4"	19.041099
"728836"	883.1860995	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+H+NH4"	19.041099
"1484845"	300.7423995	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H+NH4"	19.041099
"400244"	1187.876618	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+Na"	22.989218
"762332"	1770.320318	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+Na"	22.989218
"1611525"	605.432918	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Na"	22.989218
"322657"	594.441947	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+H+Na"	23.996494
"713985"	885.663797	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+H+Na"	23.996494
"1466712"	303.220097	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H+Na"	23.996494
"1058865"	202.48249	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2H+Na"	25.00377
"1259812"	615.477186	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+CH3OH+H"	33.033486
"383490"	1203.850558	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+K"	38.963158
"741204"	1786.294258	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+K"	38.963158
"1544350"	621.406858	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+K"	38.963158
"302621"	602.428917	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+H+K"	39.970434
"694313"	893.650767	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+H+K"	39.970434
"1449959"	311.207067	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H+K"	39.970434
"238560"	1206.921226	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+ACN+H"	42.033826
"1212362"	624.477526	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+ACN+H"	42.033826
"1198798"	312.742401	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+ACN+2H"	43.041102
"193493"	1209.85856	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+2Na-H"	44.97116
"631960"	1792.30226	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+2Na-H"	44.97116
"1139841"	627.41486	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2Na-H"	44.97116
"179121"	605.432918	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+2Na"	45.978436
"622692"	896.654768	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+2Na"	45.978436
"1119998"	314.211068	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2Na"	45.978436
"1407533"	209.809804	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H+2Na"	46.985712
"1441837"	629.456446	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H+HCOOH"	47.012746
"231534"	610.46594	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+3H2O+2H"	56.04448
"1521784"	643.50849	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+IsoProp+H"	61.06479
"422202"	613.419888	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+Na+K"	61.952376
"782468"	904.641738	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+Na+K"	61.952376
"1677705"	322.198038	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Na+K"	61.952376
"263131"	1228.903168	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+ACN+Na"	64.015768
"1235839"	646.459468	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+ACN+Na"	64.015768
"1719260"	646.482993	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+NH4+HCOOH"	64.039293
"1185709"	217.137118	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+3Na"	68.967654
"1656697"	651.438388	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Na+HCOOH"	68.994688
"159913"	1241.80644	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+2K-H"	76.91904
"599111"	1824.25014	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+2K-H"	76.91904
"1085079"	659.36274	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2K-H"	76.91904
"144452"	621.406858	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"2M+2K"	77.926316
"589117"	912.628708	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"3M+2K"	77.926316
"1078369"	330.185008	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2K"	77.926316
"1113038"	661.377292	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2K+H"	78.933592
"1347237"	661.464907	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+DMSO+H"	79.021207
"1014308"	665.504076	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2ACN+H"	83.060376
"1535718"	666.497708	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+IsoProp+Na+H"	84.054008
"997791"	333.255676	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+2ACN+2H"	84.067652
"1593390"	667.412328	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+K+HCOOH"	84.968628
"1420141"	697.443838	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+H+CF3COOH"	115.000138
"1156991"	353.768951	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+3ACN+2H"	125.094202
"1699981"	714.470385	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+NH4+CF3COOH"	132.026685
"1644380"	719.42578	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+Na+CF3COOH"	136.98208
"1575657"	735.39972	"C15879"	"Hydroxyspirilloxanthin;Monodemethyl spirilloxanthin"	"C41H58O2"	"582.4437"	"M+K+CF3COOH"	152.95602
"814411"	596.4593	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M"	0
"982839"	577.44091	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-H2O-H"	-19.01839
"76190"	396.632257333333	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M-3H"	-3.021828
"516111"	595.452024	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M-3H"	-3.021828
"892819"	197.812490666667	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-3H"	-3.021828
"7020"	595.452024	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M-2H"	-2.014552
"448769"	893.681674	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M-2H"	-2.014552
"821102"	297.222374	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-2H"	-2.014552
"79269"	1191.911324	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M-H"	-1.007276
"523934"	1788.370624	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M-H"	-1.007276
"903923"	595.452024	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-H"	-1.007276
"55016"	1208.937871	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M-2H+NH4"	16.019271
"495671"	1805.397171	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M-2H+NH4"	16.019271
"874568"	612.478571	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-2H+NH4"	16.019271
"46360"	1213.893266	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M-2H+Na"	20.974666
"486732"	1810.352566	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M-2H+Na"	20.974666
"863113"	617.433966	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-2H+Na"	20.974666
"1633618"	617.433966	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Na-2H"	20.974666
"106987"	613.440363	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M-H+Cl"	33.962126
"544358"	911.670013	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M-H+Cl"	33.962126
"933499"	315.210713	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-H+Cl"	33.962126
"279712"	1227.888002	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+Cl"	34.969402
"669952"	1824.347302	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+Cl"	34.969402
"1277978"	631.428702	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Cl"	34.969402
"20533"	1229.867206	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M-2H+K"	36.948606
"458998"	1826.326506	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M-2H+K"	36.948606
"835709"	633.407906	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-2H+K"	36.948606
"1557009"	633.407906	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+K-2H"	36.948606
"952557"	641.457494	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-H+HCOOH"	44.998194
"366399"	1237.916801	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+HCOOH-H"	44.998201
"353563"	1251.932451	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+Hac-H"	59.013851
"1502393"	655.473151	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Hac-H"	59.013851
"968841"	663.439451	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-H+NaCOOH"	66.980151
"117751"	631.428702	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+2Cl"	69.938804
"555127"	929.658352	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+2Cl"	69.938804
"1023925"	333.199052	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2Cl"	69.938804
"1247878"	675.378185	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Br"	78.918885
"1308140"	677.434172	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Cl+HCOOH"	80.974872
"1332927"	699.416129	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Cl+NaCOOH"	102.956829
"922168"	709.444886	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M-H+CF3COOH"	112.985586
"1301064"	745.421564	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Cl+CF3COOH"	148.962264
"1378130"	561.446624	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H-2H2O"	-35.012676
"1392345"	579.4566	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H-H2O"	-17.0027
"290938"	1193.925876	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+H"	1.007276
"684453"	1790.385176	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+H"	1.007276
"1352779"	597.466576	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H"	1.007276
"127127"	597.466576	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+2H"	2.014552
"567416"	895.696226	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+2H"	2.014552
"1038765"	299.236926	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2H"	2.014552
"208133"	398.646809333333	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+3H"	3.021828
"650611"	597.466576	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+3H"	3.021828
"1176397"	199.827042666667	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+3H"	3.021828
"432012"	1210.952423	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+NH4"	18.033823
"796655"	1807.411723	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+NH4"	18.033823
"1689339"	614.493123	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+NH4"	18.033823
"334336"	605.9798495	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+H+NH4"	19.041099
"730040"	904.2094995	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+H+NH4"	19.041099
"1483862"	307.7501995	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H+NH4"	19.041099
"398167"	1215.907818	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+Na"	22.989218
"759160"	1812.367118	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+Na"	22.989218
"1611637"	619.448518	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Na"	22.989218
"321673"	608.457547	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+H+Na"	23.996494
"715188"	906.687197	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+H+Na"	23.996494
"1464634"	310.227897	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H+Na"	23.996494
"1057879"	207.154356666667	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2H+Na"	25.00377
"1262838"	629.492786	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+CH3OH+H"	33.033486
"383599"	1231.881758	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+K"	38.963158
"744592"	1828.341058	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+K"	38.963158
"1543369"	635.422458	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+K"	38.963158
"304917"	616.444517	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+H+K"	39.970434
"695149"	914.674167	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+H+K"	39.970434
"1450070"	318.214867	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H+K"	39.970434
"237941"	1234.952426	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+ACN+H"	42.033826
"1216847"	638.493126	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+ACN+H"	42.033826
"1195987"	319.750201	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+ACN+2H"	43.041102
"191410"	1237.88976	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+2Na-H"	44.97116
"629877"	1834.34906	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+2Na-H"	44.97116
"1135211"	641.43046	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2Na-H"	44.97116
"182148"	619.448518	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+2Na"	45.978436
"618425"	917.678168	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+2Na"	45.978436
"1119017"	321.218868	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2Na"	45.978436
"1404363"	214.481670666667	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H+2Na"	46.985712
"1441947"	643.472046	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H+HCOOH"	47.012746
"229456"	624.48154	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+3H2O+2H"	56.04448
"1519707"	657.52409	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+IsoProp+H"	61.06479
"420488"	627.435488	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+Na+K"	61.952376
"780390"	925.665138	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+Na+K"	61.952376
"1677815"	329.205838	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Na+K"	61.952376
"261054"	1256.934368	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+ACN+Na"	64.015768
"1237043"	660.475068	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+ACN+Na"	64.015768
"1721556"	660.498593	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+NH4+HCOOH"	64.039293
"1188006"	221.808984666667	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+3Na"	68.967654
"1652794"	665.453988	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Na+HCOOH"	68.994688
"159295"	1269.83764	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+2K-H"	76.91904
"603233"	1866.29694	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+2K-H"	76.91904
"1095040"	673.37834	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2K-H"	76.91904
"151855"	635.422458	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"2M+2K"	77.926316
"587405"	933.652108	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"3M+2K"	77.926316
"1071919"	337.192808	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2K"	77.926316
"1113148"	675.392892	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2K+H"	78.933592
"1348803"	675.480507	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+DMSO+H"	79.021207
"1014417"	679.519676	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2ACN+H"	83.060376
"1534734"	680.513308	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+IsoProp+Na+H"	84.054008
"1002274"	340.263476	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+2ACN+2H"	84.067652
"1596780"	681.427928	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+K+HCOOH"	84.968628
"1424623"	711.459438	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+H+CF3COOH"	115.000138
"1160380"	360.776751	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+3ACN+2H"	125.094202
"1710662"	728.485985	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+NH4+CF3COOH"	132.026685
"1639022"	733.44138	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+Na+CF3COOH"	136.98208
"1574673"	749.41532	"C15881"	"Spirilloxanthin;Rhodoviolascin"	"C42H60O2"	"596.4593"	"M+K+CF3COOH"	152.95602
"815859"	402.3498	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M"	0
"986599"	383.33141	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"77027"	267.225924	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"515857"	401.342524	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"895124"	133.109324	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"15318"	401.342524	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"454350"	602.517424	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"831669"	200.167624	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"91050"	803.692324	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"532681"	1206.042124	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"909995"	401.342524	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"61694"	820.718871	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"501622"	1223.068671	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"879904"	418.369071	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"45626"	825.674266	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"485550"	1228.024066	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"863353"	423.324466	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1631303"	423.324466	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"107098"	419.330863	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"544472"	620.505763	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"936893"	218.155963	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"279701"	839.669002	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"672251"	1242.018802	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1284654"	437.319202	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"26116"	841.648206	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"460572"	1243.998006	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"842385"	439.298406	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1556474"	439.298406	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"945012"	447.347994	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"367602"	849.697801	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"356955"	863.713451	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1495946"	461.363651	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"962393"	469.329951	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"121143"	437.319202	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"561798"	638.494102	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1033877"	236.144302	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1254921"	481.268685	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1315909"	483.324672	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1332314"	505.306629	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"925562"	515.335386	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1300082"	551.312064	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1376055"	367.337124	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1391365"	385.3471	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"292144"	805.706876	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"682380"	1208.056676	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1351591"	403.357076	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"126263"	403.357076	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"567891"	604.531976	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1038513"	202.182176	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"217242"	269.240476	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"652911"	403.357076	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1175414"	135.123876	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"434310"	822.733423	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"795304"	1225.083223	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1691639"	420.383623	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"341013"	411.8703495	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"734528"	613.0452495	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1487984"	210.6954495	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"402653"	827.688818	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"768880"	1230.038618	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1617828"	425.339018	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"327619"	414.348047	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"720405"	615.522947	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1468030"	213.173147	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1056899"	142.45119	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1260763"	435.383286	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"379337"	843.662758	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"743616"	1246.012558	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1542388"	441.312958	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"309409"	422.335017	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"706818"	623.509917	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1454559"	221.160117	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"246443"	846.733426	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1224256"	444.383626	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1208140"	222.695451	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"200281"	849.67076	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"636558"	1252.02056	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1140064"	447.32096	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"186397"	425.339018	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"621823"	626.513918	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1126421"	224.164118	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1411038"	149.778504	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1436596"	449.362546	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"226292"	430.37204	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1517632"	463.41459	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"419509"	433.325988	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"776130"	634.500888	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1671365"	232.151088	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"256063"	868.715368	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1229135"	466.365568	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1716567"	466.389093	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1182287"	157.105818	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1650393"	471.344488	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"162688"	881.61864	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"611369"	1283.96844	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1096608"	479.26884	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"155611"	441.312958	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"596027"	642.487858	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1083332"	240.138058	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1115577"	481.283392	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1350376"	481.371007	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1019997"	485.410176	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1532655"	486.403808	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"1003479"	243.208726	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1599806"	487.318428	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1426921"	517.349938	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1160490"	263.722001	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1711501"	534.376485	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1641319"	539.33188	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1574783"	555.30582	"C15882"	"2-Methyl-6-phytylquinol;2-Methyl-6-phytyl-14-hydroquinone;2-Methyl-6-phytylbenzene-14-diol;2-Methyl-6-phytyl-14-benzoquinol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"814997"	416.3654	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M"	0
"983059"	397.34701	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-H2O-H"	-19.01839
"75678"	276.569657333333	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M-3H"	-3.021828
"515967"	415.358124	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M-3H"	-3.021828
"889759"	137.781190666667	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-3H"	-3.021828
"13437"	415.358124	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M-2H"	-2.014552
"453736"	623.540824	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M-2H"	-2.014552
"832614"	207.175424	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-2H"	-2.014552
"93592"	831.723524	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M-H"	-1.007276
"532661"	1248.088924	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M-H"	-1.007276
"910834"	415.358124	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-H"	-1.007276
"62050"	848.750071	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M-2H+NH4"	16.019271
"501611"	1265.115471	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M-2H+NH4"	16.019271
"879542"	432.384671	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-2H+NH4"	16.019271
"46594"	853.705466	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M-2H+Na"	20.974666
"486026"	1270.070866	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M-2H+Na"	20.974666
"862969"	437.340066	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-2H+Na"	20.974666
"1632747"	437.340066	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Na-2H"	20.974666
"103928"	433.346463	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M-H+Cl"	33.962126
"544582"	641.529163	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M-H+Cl"	33.962126
"937002"	225.163763	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-H+Cl"	33.962126
"280541"	867.700202	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+Cl"	34.969402
"674431"	1284.065602	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+Cl"	34.969402
"1285857"	451.334802	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Cl"	34.969402
"26226"	869.679406	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M-2H+K"	36.948606
"459225"	1286.044806	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M-2H+K"	36.948606
"842495"	453.314006	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-2H+K"	36.948606
"1557597"	453.314006	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+K-2H"	36.948606
"954963"	461.363594	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-H+HCOOH"	44.998194
"368805"	877.729001	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+HCOOH-H"	44.998201
"357065"	891.744651	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+Hac-H"	59.013851
"1496784"	475.379251	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Hac-H"	59.013851
"959951"	483.345551	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-H+NaCOOH"	66.980151
"117973"	451.334802	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+2Cl"	69.938804
"555346"	659.517502	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+2Cl"	69.938804
"1033987"	243.152102	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2Cl"	69.938804
"1255031"	495.284285	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Br"	78.918885
"1317480"	497.340272	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Cl+HCOOH"	80.974872
"1332789"	519.322229	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Cl+NaCOOH"	102.956829
"926402"	529.350986	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M-H+CF3COOH"	112.985586
"1303110"	565.327664	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Cl+CF3COOH"	148.962264
"1381636"	381.352724	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H-2H2O"	-35.012676
"1396945"	399.3627	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H-H2O"	-17.0027
"292254"	833.738076	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+H"	1.007276
"684677"	1250.103476	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+H"	1.007276
"1353370"	417.372676	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H"	1.007276
"128806"	417.372676	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+2H"	2.014552
"570188"	625.555376	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+2H"	2.014552
"1039352"	209.189976	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2H"	2.014552
"217231"	278.584209333333	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+3H"	3.021828
"655207"	417.372676	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+3H"	3.021828
"1177469"	139.795742666667	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+3H"	3.021828
"437335"	850.764623	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+NH4"	18.033823
"795414"	1267.130023	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+NH4"	18.033823
"1689562"	434.399223	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+NH4"	18.033823
"341123"	425.8859495	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+H+NH4"	19.041099
"732450"	634.0686495	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+H+NH4"	19.041099
"1485177"	217.7032495	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H+NH4"	19.041099
"401670"	855.720018	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+Na"	22.989218
"769114"	1272.085418	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+Na"	22.989218
"1614774"	439.354618	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Na"	22.989218
"327730"	428.363647	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+H+Na"	23.996494
"720759"	636.546347	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+H+Na"	23.996494
"1471420"	220.180947	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H+Na"	23.996494
"1057009"	147.123056666667	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2H+Na"	25.00377
"1260874"	449.398886	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+CH3OH+H"	33.033486
"379447"	871.693958	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+K"	38.963158
"743726"	1288.059358	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+K"	38.963158
"1544685"	455.328558	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+K"	38.963158
"308426"	436.350617	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+H+K"	39.970434
"707026"	644.533317	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+H+K"	39.970434
"1453577"	228.167917	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H+K"	39.970434
"245095"	874.764626	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+ACN+H"	42.033826
"1222543"	458.399226	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+ACN+H"	42.033826
"1206426"	229.703251	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+ACN+2H"	43.041102
"200390"	877.70196	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+2Na-H"	44.97116
"633389"	1294.06736	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+2Na-H"	44.97116
"1139081"	461.33656	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2Na-H"	44.97116
"182370"	439.354618	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+2Na"	45.978436
"621933"	647.537318	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+2Na"	45.978436
"1125438"	231.171918	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2Na"	45.978436
"1408960"	154.450370666667	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H+2Na"	46.985712
"1436706"	463.378146	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H+HCOOH"	47.012746
"226402"	444.38764	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+3H2O+2H"	56.04448
"1515556"	477.43019	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+IsoProp+H"	61.06479
"418525"	447.341588	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+Na+K"	61.952376
"777333"	655.524288	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+Na+K"	61.952376
"1670382"	239.158888	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Na+K"	61.952376
"255078"	896.746568	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+ACN+Na"	64.015768
"1229245"	480.381168	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+ACN+Na"	64.015768
"1716676"	480.404693	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+NH4+HCOOH"	64.039293
"1181301"	161.777684666667	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+3Na"	68.967654
"1650503"	485.360088	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Na+HCOOH"	68.994688
"159518"	909.64984	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+2K-H"	76.91904
"611722"	1326.01524	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+2K-H"	76.91904
"1097446"	493.28444	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2K-H"	76.91904
"156086"	455.328558	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"2M+2K"	77.926316
"596015"	663.511258	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"3M+2K"	77.926316
"1083566"	247.145858	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2K"	77.926316
"1115600"	495.298992	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2K+H"	78.933592
"1350975"	495.386607	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+DMSO+H"	79.021207
"1020107"	499.425776	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2ACN+H"	83.060376
"1532765"	500.419408	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+IsoProp+Na+H"	84.054008
"1004319"	250.216526	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+2ACN+2H"	84.067652
"1601374"	501.334028	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+K+HCOOH"	84.968628
"1427030"	531.365538	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+H+CF3COOH"	115.000138
"1160600"	270.729801	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+3ACN+2H"	125.094202
"1711854"	548.392085	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+NH4+CF3COOH"	132.026685
"1641429"	553.34748	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+Na+CF3COOH"	136.98208
"1575988"	569.32142	"C15883"	"23-Dimethyl-5-phytylquinol;23-Dimethyl-5-phytyl-14-hydroquinone;23-Dimethyl-6-phytylbenzene-14-diol"	"C28H48O2"	"416.3654"	"M+K+CF3COOH"	152.95602
"816202"	610.4386	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M"	0
"988882"	591.42021	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-H2O-H"	-19.01839
"78222"	405.951790666667	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M-3H"	-3.021828
"518390"	609.431324	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M-3H"	-3.021828
"895549"	202.472257333333	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-3H"	-3.021828
"15541"	609.431324	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M-2H"	-2.014552
"452383"	914.650624	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M-2H"	-2.014552
"832373"	304.212024	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-2H"	-2.014552
"93337"	1219.869924	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M-H"	-1.007276
"532649"	1830.308524	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M-H"	-1.007276
"910451"	609.431324	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-H"	-1.007276
"62044"	1236.896471	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M-2H+NH4"	16.019271
"502085"	1847.335071	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M-2H+NH4"	16.019271
"879044"	626.457871	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-2H+NH4"	16.019271
"46212"	1241.851866	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M-2H+Na"	20.974666
"486620"	1852.290466	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M-2H+Na"	20.974666
"863449"	631.413266	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-2H+Na"	20.974666
"1633108"	631.413266	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Na-2H"	20.974666
"107319"	627.419663	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M-H+Cl"	33.962126
"544692"	932.638963	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M-H+Cl"	33.962126
"933832"	322.200363	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-H+Cl"	33.962126
"277856"	1255.846602	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+Cl"	34.969402
"673202"	1866.285202	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+Cl"	34.969402
"1285967"	645.408002	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Cl"	34.969402
"26336"	1257.825806	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M-2H+K"	36.948606
"458242"	1868.264406	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M-2H+K"	36.948606
"842605"	647.387206	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-2H+K"	36.948606
"1556249"	647.387206	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+K-2H"	36.948606
"953982"	655.436794	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-H+HCOOH"	44.998194
"366729"	1265.875401	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+HCOOH-H"	44.998201
"352801"	1279.891051	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+Hac-H"	59.013851
"1501633"	669.452451	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Hac-H"	59.013851
"960790"	677.418751	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-H+NaCOOH"	66.980151
"118083"	645.408002	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+2Cl"	69.938804
"560923"	950.627302	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+2Cl"	69.938804
"1034098"	340.188702	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2Cl"	69.938804
"1256480"	689.357485	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Br"	78.918885
"1318322"	691.413472	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Cl+HCOOH"	80.974872
"1334359"	713.395429	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Cl+NaCOOH"	102.956829
"923594"	723.424186	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M-H+CF3COOH"	112.985586
"1299209"	759.400864	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Cl+CF3COOH"	148.962264
"1377368"	575.425924	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H-2H2O"	-35.012676
"1389396"	593.4359	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H-H2O"	-17.0027
"285803"	1221.884476	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+H"	1.007276
"684785"	1832.323076	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+H"	1.007276
"1351900"	611.445876	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H"	1.007276
"126733"	611.445876	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+2H"	2.014552
"567750"	916.665176	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+2H"	2.014552
"1040925"	306.226576	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2H"	2.014552
"218557"	407.966342666667	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+3H"	3.021828
"656414"	611.445876	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+3H"	3.021828
"1175998"	204.486809333333	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+3H"	3.021828
"435624"	1238.911023	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+NH4"	18.033823
"798442"	1849.349623	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+NH4"	18.033823
"1690767"	628.472423	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+NH4"	18.033823
"340869"	619.9591495	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+H+NH4"	19.041099
"732561"	925.1784495	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+H+NH4"	19.041099
"1484194"	314.7398495	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H+NH4"	19.041099
"407616"	1243.866418	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+Na"	22.989218
"768741"	1854.305018	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+Na"	22.989218
"1614520"	633.427818	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Na"	22.989218
"327840"	622.436847	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+H+Na"	23.996494
"720628"	927.656147	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+H+Na"	23.996494
"1473718"	317.217547	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H+Na"	23.996494
"1060398"	211.814123333333	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2H+Na"	25.00377
"1264264"	643.472086	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+CH3OH+H"	33.033486
"382838"	1259.840358	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+K"	38.963158
"744929"	1870.278958	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+K"	38.963158
"1543702"	649.401758	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+K"	38.963158
"312915"	630.423817	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+H+K"	39.970434
"702421"	935.643117	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+H+K"	39.970434
"1456240"	325.204517	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H+K"	39.970434
"249216"	1262.911026	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+ACN+H"	42.033826
"1224600"	652.472426	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+ACN+H"	42.033826
"1209095"	326.739851	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+ACN+2H"	43.041102
"200501"	1265.84836	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+2Na-H"	44.97116
"637873"	1876.28696	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+2Na-H"	44.97116
"1146244"	655.40976	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2Na-H"	44.97116
"185765"	633.427818	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+2Na"	45.978436
"624960"	938.647118	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+2Na"	45.978436
"1129316"	328.208518	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2Na"	45.978436
"1407978"	219.141437333333	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H+2Na"	46.985712
"1439004"	657.451346	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H+HCOOH"	47.012746
"233075"	638.46084	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+3H2O+2H"	56.04448
"1514574"	671.50339	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+IsoProp+H"	61.06479
"417543"	641.414788	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+Na+K"	61.952376
"774163"	946.634088	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+Na+K"	61.952376
"1669402"	336.195488	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Na+K"	61.952376
"255191"	1284.892968	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+ACN+Na"	64.015768
"1229720"	674.454368	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+ACN+Na"	64.015768
"1717882"	674.477893	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+NH4+HCOOH"	64.039293
"1185059"	226.468751333333	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+3Na"	68.967654
"1652399"	679.433288	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Na+HCOOH"	68.994688
"166192"	1297.79624	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+2K-H"	76.91904
"610129"	1908.23484	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+2K-H"	76.91904
"1096827"	687.35764	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2K-H"	76.91904
"156571"	649.401758	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"2M+2K"	77.926316
"596813"	954.621058	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"3M+2K"	77.926316
"1083800"	344.182458	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2K"	77.926316
"1115066"	689.372192	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2K+H"	78.933592
"1350599"	689.459807	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+DMSO+H"	79.021207
"1020217"	693.498976	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2ACN+H"	83.060376
"1539195"	694.492608	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+IsoProp+Na+H"	84.054008
"1004791"	347.253126	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+2ACN+2H"	84.067652
"1600388"	695.407228	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+K+HCOOH"	84.968628
"1426048"	725.438738	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+H+CF3COOH"	115.000138
"1153055"	367.766401	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+3ACN+2H"	125.094202
"1709169"	742.465285	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+NH4+CF3COOH"	132.026685
"1648833"	747.42068	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+Na+CF3COOH"	136.98208
"1585940"	763.39462	"C15884"	"2-Ketospirilloxanthin;2-Oxospirilloxanthin"	"C42H58O3"	"610.4386"	"M+K+CF3COOH"	152.95602
"814124"	624.4179	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M"	0
"988747"	605.39951	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-H2O-H"	-19.01839
"78083"	415.271324	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M-3H"	-3.021828
"517930"	623.410624	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M-3H"	-3.021828
"895626"	207.132024	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-3H"	-3.021828
"15696"	623.410624	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M-2H"	-2.014552
"455671"	935.619574	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M-2H"	-2.014552
"832739"	311.201674	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-2H"	-2.014552
"94266"	1247.828524	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M-H"	-1.007276
"532274"	1872.246424	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M-H"	-1.007276
"907645"	623.410624	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-H"	-1.007276
"62726"	1264.855071	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M-2H+NH4"	16.019271
"502683"	1889.272971	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M-2H+NH4"	16.019271
"879751"	640.437171	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-2H+NH4"	16.019271
"46772"	1269.810466	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M-2H+Na"	20.974666
"486934"	1894.228366	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M-2H+Na"	20.974666
"863924"	645.392566	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-2H+Na"	20.974666
"1633944"	645.392566	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Na-2H"	20.974666
"107429"	641.398963	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M-H+Cl"	33.962126
"544802"	953.607913	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M-H+Cl"	33.962126
"935035"	329.190013	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-H+Cl"	33.962126
"279058"	1283.805202	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+Cl"	34.969402
"673677"	1908.223102	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+Cl"	34.969402
"1287536"	659.387302	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Cl"	34.969402
"26446"	1285.784406	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M-2H+K"	36.948606
"458352"	1910.202306	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M-2H+K"	36.948606
"842715"	661.366506	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-2H+K"	36.948606
"1556480"	661.366506	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+K-2H"	36.948606
"956278"	669.416094	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-H+HCOOH"	44.998194
"370119"	1293.834001	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+HCOOH-H"	44.998201
"356191"	1307.849651	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+Hac-H"	59.013851
"1507210"	683.431751	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Hac-H"	59.013851
"968190"	691.398051	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-H+NaCOOH"	66.980151
"121473"	659.387302	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+2Cl"	69.938804
"561033"	971.596252	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+2Cl"	69.938804
"1034208"	347.178352	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2Cl"	69.938804
"1252703"	703.336785	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Br"	78.918885
"1318432"	705.392772	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Cl+HCOOH"	80.974872
"1334469"	727.374729	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Cl+NaCOOH"	102.956829
"918237"	737.403486	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M-H+CF3COOH"	112.985586
"1297131"	773.380164	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Cl+CF3COOH"	148.962264
"1374196"	589.405224	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H-2H2O"	-35.012676
"1391691"	607.4152	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H-H2O"	-17.0027
"287004"	1249.843076	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+H"	1.007276
"677969"	1874.260976	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+H"	1.007276
"1354681"	625.425176	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H"	1.007276
"131215"	625.425176	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+2H"	2.014552
"567493"	937.634126	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+2H"	2.014552
"1041399"	313.216226	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2H"	2.014552
"218303"	417.285876	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+3H"	3.021828
"657252"	625.425176	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+3H"	3.021828
"1176352"	209.146576	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+3H"	3.021828
"435734"	1266.869623	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+NH4"	18.033823
"798916"	1891.287523	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+NH4"	18.033823
"1688691"	642.451723	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+NH4"	18.033823
"340979"	633.9384495	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+H+NH4"	19.041099
"731578"	946.1473995	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+H+NH4"	19.041099
"1483211"	321.7294995	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H+NH4"	19.041099
"407362"	1271.825018	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+Na"	22.989218
"769578"	1896.242918	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+Na"	22.989218
"1616452"	647.407118	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Na"	22.989218
"328314"	636.416147	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+H+Na"	23.996494
"719642"	948.625097	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+H+Na"	23.996494
"1468360"	324.207197	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H+Na"	23.996494
"1057593"	216.47389	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2H+Na"	25.00377
"1260364"	657.451386	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+CH3OH+H"	33.033486
"381855"	1287.798958	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+K"	38.963158
"742852"	1912.216858	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+K"	38.963158
"1544903"	663.381058	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+K"	38.963158
"313387"	644.403117	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+H+K"	39.970434
"705811"	956.612067	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+H+K"	39.970434
"1459265"	332.194167	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H+K"	39.970434
"247867"	1290.869626	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+ACN+H"	42.033826
"1224343"	666.451726	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+ACN+H"	42.033826
"1209690"	333.729501	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+ACN+2H"	43.041102
"201339"	1293.80696	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+2Na-H"	44.97116
"639077"	1918.22486	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+2Na-H"	44.97116
"1145257"	669.38906	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2Na-H"	44.97116
"187575"	647.407118	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+2Na"	45.978436
"623248"	959.616068	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+2Na"	45.978436
"1130157"	335.198168	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2Na"	45.978436
"1411368"	223.801204	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H+2Na"	46.985712
"1441300"	671.430646	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H+HCOOH"	47.012746
"230998"	652.44014	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+3H2O+2H"	56.04448
"1517964"	685.48269	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+IsoProp+H"	61.06479
"412549"	655.394088	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+Na+K"	61.952376
"773544"	967.603038	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+Na+K"	61.952376
"1669876"	343.185138	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Na+K"	61.952376
"253844"	1312.851568	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+ACN+Na"	64.015768
"1229467"	688.433668	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+ACN+Na"	64.015768
"1717628"	688.457193	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+NH4+HCOOH"	64.039293
"1181889"	231.128518	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+3Na"	68.967654
"1651053"	693.412588	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Na+HCOOH"	68.994688
"166302"	1325.75484	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+2K-H"	76.91904
"609146"	1950.17274	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+2K-H"	76.91904
"1094749"	701.33694	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2K-H"	76.91904
"156312"	663.381058	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"2M+2K"	77.926316
"596114"	975.590008	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"3M+2K"	77.926316
"1083911"	351.172108	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2K"	77.926316
"1114447"	703.351492	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2K+H"	78.933592
"1351073"	703.439107	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+DMSO+H"	79.021207
"1020206"	707.478276	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2ACN+H"	83.060376
"1539430"	708.471908	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+IsoProp+Na+H"	84.054008
"999434"	354.242776	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+2ACN+2H"	84.067652
"1593936"	709.386528	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+K+HCOOH"	84.968628
"1425065"	739.418038	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+H+CF3COOH"	115.000138
"1156445"	374.756051	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+3ACN+2H"	125.094202
"1705998"	756.444585	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+NH4+CF3COOH"	132.026685
"1649548"	761.39998	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+Na+CF3COOH"	136.98208
"1586050"	777.37392	"C15885"	"22-Diketospirilloxanthin;22-Dioxospirilloxanthin"	"C42H56O4"	"624.4179"	"M+K+CF3COOH"	152.95602
"814234"	568.4644	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M"	0
"988736"	549.44601	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-H2O-H"	-19.01839
"78072"	377.968990666667	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M-3H"	-3.021828
"517877"	567.457124	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M-3H"	-3.021828
"895403"	188.480857333333	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-3H"	-3.021828
"15484"	567.457124	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M-2H"	-2.014552
"455570"	851.689324	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M-2H"	-2.014552
"832389"	283.224924	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-2H"	-2.014552
"94245"	1135.921524	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M-H"	-1.007276
"532748"	1704.385924	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M-H"	-1.007276
"907755"	567.457124	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-H"	-1.007276
"62261"	1152.948071	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M-2H+NH4"	16.019271
"502758"	1721.412471	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M-2H+NH4"	16.019271
"879817"	584.483671	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-2H+NH4"	16.019271
"47002"	1157.903466	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M-2H+Na"	20.974666
"486227"	1726.367866	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M-2H+Na"	20.974666
"864081"	589.439066	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-2H+Na"	20.974666
"1633895"	589.439066	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Na-2H"	20.974666
"104257"	585.445463	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M-H+Cl"	33.962126
"544912"	869.677663	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M-H+Cl"	33.962126
"937331"	301.213263	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-H+Cl"	33.962126
"275888"	1171.898202	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+Cl"	34.969402
"675330"	1740.362602	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+Cl"	34.969402
"1288092"	603.433802	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Cl"	34.969402
"26556"	1173.877406	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M-2H+K"	36.948606
"459555"	1742.341806	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M-2H+K"	36.948606
"841732"	605.413006	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-2H+K"	36.948606
"1557198"	605.413006	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+K-2H"	36.948606
"955295"	613.462594	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-H+HCOOH"	44.998194
"370229"	1181.927001	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+HCOOH-H"	44.998201
"357394"	1195.942651	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+Hac-H"	59.013851
"1507320"	627.478251	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Hac-H"	59.013851
"969393"	635.444551	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-H+NaCOOH"	66.980151
"124863"	603.433802	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+2Cl"	69.938804
"561143"	887.666002	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+2Cl"	69.938804
"1034318"	319.201602	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2Cl"	69.938804
"1255729"	647.383285	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Br"	78.918885
"1318542"	649.439272	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Cl+HCOOH"	80.974872
"1334215"	671.421229	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Cl+NaCOOH"	102.956829
"921627"	681.449986	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M-H+CF3COOH"	112.985586
"1297241"	717.426664	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Cl+CF3COOH"	148.962264
"1376492"	533.451724	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H-2H2O"	-35.012676
"1391800"	551.4617	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H-H2O"	-17.0027
"288208"	1137.936076	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+H"	1.007276
"679902"	1706.400476	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+H"	1.007276
"1353695"	569.471676	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H"	1.007276
"130232"	569.471676	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+2H"	2.014552
"568331"	853.703876	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+2H"	2.014552
"1039319"	285.239476	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2H"	2.014552
"218413"	379.983542666667	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+3H"	3.021828
"657726"	569.471676	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+3H"	3.021828
"1176947"	190.495409333333	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+3H"	3.021828
"436939"	1154.962623	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+NH4"	18.033823
"796840"	1723.427023	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+NH4"	18.033823
"1686613"	586.498223	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+NH4"	18.033823
"335981"	577.9849495	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+H+NH4"	19.041099
"731687"	862.2171495	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+H+NH4"	19.041099
"1483321"	293.7527495	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H+NH4"	19.041099
"407348"	1159.918018	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+Na"	22.989218
"769730"	1728.382418	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+Na"	22.989218
"1616198"	591.453618	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Na"	22.989218
"328423"	580.462647	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+H+Na"	23.996494
"716836"	864.694847	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+H+Na"	23.996494
"1468470"	296.230447	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H+Na"	23.996494
"1058432"	197.822723333333	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2H+Na"	25.00377
"1261203"	601.497886	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+CH3OH+H"	33.033486
"380872"	1175.891958	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+K"	38.963158
"744055"	1744.356358	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+K"	38.963158
"1547199"	607.427558	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+K"	38.963158
"313983"	588.449617	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+H+K"	39.970434
"706694"	872.681817	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+H+K"	39.970434
"1459375"	304.217417	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H+K"	39.970434
"251015"	1178.962626	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+ACN+H"	42.033826
"1225566"	610.498226	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+ACN+H"	42.033826
"1209683"	305.752751	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+ACN+2H"	43.041102
"202907"	1181.89996	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+2Na-H"	44.97116
"643937"	1750.36436	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+2Na-H"	44.97116
"1146869"	613.43556	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2Na-H"	44.97116
"188054"	591.453618	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+2Na"	45.978436
"627004"	875.685818	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+2Na"	45.978436
"1130510"	307.221418	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2Na"	45.978436
"1413423"	205.150037333333	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H+2Na"	46.985712
"1441412"	615.477146	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H+HCOOH"	47.012746
"231108"	596.48664	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+3H2O+2H"	56.04448
"1518074"	629.52919	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+IsoProp+H"	61.06479
"413385"	599.440588	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+Na+K"	61.952376
"775476"	883.672788	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+Na+K"	61.952376
"1672902"	315.208388	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Na+K"	61.952376
"256141"	1200.944568	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+ACN+Na"	64.015768
"1227391"	632.480168	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+ACN+Na"	64.015768
"1717738"	632.503693	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+NH4+HCOOH"	64.039293
"1181999"	212.477351333333	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+3Na"	68.967654
"1651405"	637.459088	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Na+HCOOH"	68.994688
"168596"	1213.84784	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+2K-H"	76.91904
"611935"	1782.31224	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+2K-H"	76.91904
"1094860"	645.38344	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2K-H"	76.91904
"156180"	607.427558	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"2M+2K"	77.926316
"595863"	891.659758	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"3M+2K"	77.926316
"1084143"	323.195358	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2K"	77.926316
"1115044"	647.397992	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2K+H"	78.933592
"1350579"	647.485607	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+DMSO+H"	79.021207
"1020195"	651.524776	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2ACN+H"	83.060376
"1537470"	652.518408	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+IsoProp+Na+H"	84.054008
"999544"	326.266026	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+2ACN+2H"	84.067652
"1594046"	653.433028	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+K+HCOOH"	84.968628
"1427362"	683.464538	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+H+CF3COOH"	115.000138
"1156555"	346.779301	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+3ACN+2H"	125.094202
"1707201"	700.491085	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+NH4+CF3COOH"	132.026685
"1649779"	705.44648	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+Na+CF3COOH"	136.98208
"1586160"	721.42042	"C15886"	"34-Dihydroanhydrorhodovibrin"	"C41H60O"	"568.4644"	"M+K+CF3COOH"	152.95602
"815802"	586.475	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M"	0
"988967"	567.45661	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-H2O-H"	-19.01839
"78061"	389.976057333333	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M-3H"	-3.021828
"516770"	585.467724	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M-3H"	-3.021828
"894581"	194.484390666667	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-3H"	-3.021828
"14972"	585.467724	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M-2H"	-2.014552
"455542"	878.705224	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M-2H"	-2.014552
"831243"	292.230224	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-2H"	-2.014552
"93950"	1171.942724	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M-H"	-1.007276
"533797"	1758.417724	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M-H"	-1.007276
"911118"	585.467724	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-H"	-1.007276
"62751"	1188.969271	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M-2H+NH4"	16.019271
"502773"	1775.444271	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M-2H+NH4"	16.019271
"879765"	602.494271	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-2H+NH4"	16.019271
"46542"	1193.924666	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M-2H+Na"	20.974666
"485244"	1780.399666	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M-2H+Na"	20.974666
"863859"	607.449666	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-2H+Na"	20.974666
"1631485"	607.449666	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Na-2H"	20.974666
"103274"	603.456063	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M-H+Cl"	33.962126
"543928"	896.693563	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M-H+Cl"	33.962126
"934161"	310.218563	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-H+Cl"	33.962126
"275998"	1207.919402	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+Cl"	34.969402
"674504"	1794.394402	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+Cl"	34.969402
"1287879"	621.444402	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Cl"	34.969402
"26666"	1209.898606	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M-2H+K"	36.948606
"458572"	1796.373606	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M-2H+K"	36.948606
"841842"	623.423606	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-2H+K"	36.948606
"1557673"	623.423606	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+K-2H"	36.948606
"955041"	631.473194	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-H+HCOOH"	44.998194
"370337"	1217.948201	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+HCOOH-H"	44.998201
"357507"	1231.963851	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+Hac-H"	59.013851
"1505243"	645.488851	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Hac-H"	59.013851
"969503"	653.455151	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-H+NaCOOH"	66.980151
"121693"	621.444402	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+2Cl"	69.938804
"560160"	914.681902	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+2Cl"	69.938804
"1034428"	328.206902	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2Cl"	69.938804
"1256809"	665.393885	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Br"	78.918885
"1319016"	667.449872	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Cl+HCOOH"	80.974872
"1334325"	689.431829	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Cl+NaCOOH"	102.956829
"925382"	699.460586	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M-H+CF3COOH"	112.985586
"1298445"	735.437264	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Cl+CF3COOH"	148.962264
"1377696"	551.462324	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H-2H2O"	-35.012676
"1390818"	569.4723	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H-H2O"	-17.0027
"286132"	1173.957276	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+H"	1.007276
"678189"	1760.432276	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+H"	1.007276
"1353079"	587.482276	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H"	1.007276
"131071"	587.482276	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+2H"	2.014552
"566984"	880.719776	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+2H"	2.014552
"1039065"	294.244776	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2H"	2.014552
"206607"	391.990609333333	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+3H"	3.021828
"656015"	587.482276	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+3H"	3.021828
"1175599"	196.498942666667	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+3H"	3.021828
"436321"	1190.983823	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+NH4"	18.033823
"796950"	1777.458823	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+NH4"	18.033823
"1688909"	604.508823	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+NH4"	18.033823
"337184"	595.9955495	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+H+NH4"	19.041099
"733983"	889.2330495	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+H+NH4"	19.041099
"1486710"	302.7580495	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H+NH4"	19.041099
"407579"	1195.939218	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+Na"	22.989218
"769553"	1782.414218	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+Na"	22.989218
"1615580"	609.464218	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Na"	22.989218
"326347"	598.473247	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+H+Na"	23.996494
"716946"	891.710747	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+H+Na"	23.996494
"1468580"	305.235747	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H+Na"	23.996494
"1058542"	203.826256666667	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2H+Na"	25.00377
"1262406"	619.508486	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+CH3OH+H"	33.033486
"380982"	1211.913158	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+K"	38.963158
"741249"	1798.388158	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+K"	38.963158
"1546215"	625.438158	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+K"	38.963158
"307772"	606.460217	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+H+K"	39.970434
"706033"	899.697717	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+H+K"	39.970434
"1457297"	313.222717	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H+K"	39.970434
"249909"	1214.983826	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+ACN+H"	42.033826
"1224805"	628.508826	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+ACN+H"	42.033826
"1209303"	314.758051	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+ACN+2H"	43.041102
"202774"	1217.92116	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+2Na-H"	44.97116
"642213"	1804.39616	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+2Na-H"	44.97116
"1146951"	631.44616	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2Na-H"	44.97116
"187918"	609.464218	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+2Na"	45.978436
"625655"	902.701718	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+2Na"	45.978436
"1130254"	316.226718	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2Na"	45.978436
"1410493"	211.153570666667	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H+2Na"	46.985712
"1441522"	633.487746	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H+HCOOH"	47.012746
"231218"	614.49724	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+3H2O+2H"	56.04448
"1518183"	647.53979	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+IsoProp+H"	61.06479
"413495"	617.451188	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+Na+K"	61.952376
"773400"	910.688688	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+Na+K"	61.952376
"1669732"	324.213688	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Na+K"	61.952376
"255159"	1236.965768	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+ACN+Na"	64.015768
"1226769"	650.490768	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+ACN+Na"	64.015768
"1715661"	650.514293	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+NH4+HCOOH"	64.039293
"1181377"	218.480884666667	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+3Na"	68.967654
"1653089"	655.469688	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Na+HCOOH"	68.994688
"168706"	1249.86904	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+2K-H"	76.91904
"608268"	1836.34404	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+2K-H"	76.91904
"1093873"	663.39404	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2K-H"	76.91904
"148505"	625.438158	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"2M+2K"	77.926316
"596331"	918.675658	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"3M+2K"	77.926316
"1083724"	332.200658	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2K"	77.926316
"1115277"	665.408592	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2K+H"	78.933592
"1351255"	665.496207	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+DMSO+H"	79.021207
"1020185"	669.535376	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2ACN+H"	83.060376
"1535393"	670.529008	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+IsoProp+Na+H"	84.054008
"1000747"	335.271326	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+2ACN+2H"	84.067652
"1594157"	671.443628	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+K+HCOOH"	84.968628
"1427472"	701.475138	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+H+CF3COOH"	115.000138
"1162135"	355.784601	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+3ACN+2H"	125.094202
"1707310"	718.501685	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+NH4+CF3COOH"	132.026685
"1649845"	723.45708	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+Na+CF3COOH"	136.98208
"1586270"	739.43102	"C15887"	"34-Dihydrorhodovibrin"	"C41H62O2"	"586.475"	"M+K+CF3COOH"	152.95602
"815183"	600.4906	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M"	0
"988592"	581.47221	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-H2O-H"	-19.01839
"77320"	399.319790666667	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M-3H"	-3.021828
"515787"	599.483324	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M-3H"	-3.021828
"893962"	199.156257333333	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-3H"	-3.021828
"14110"	599.483324	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M-2H"	-2.014552
"455255"	899.728624	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M-2H"	-2.014552
"831720"	299.238024	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-2H"	-2.014552
"93170"	1199.973924	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M-H"	-1.007276
"533339"	1800.464524	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M-H"	-1.007276
"911254"	599.483324	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-H"	-1.007276
"62602"	1217.000471	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M-2H+NH4"	16.019271
"501915"	1817.491071	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M-2H+NH4"	16.019271
"879480"	616.509871	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-2H+NH4"	16.019271
"46163"	1221.955866	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M-2H+Na"	20.974666
"485718"	1822.446466	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M-2H+Na"	20.974666
"862792"	621.465266	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-2H+Na"	20.974666
"1631595"	621.465266	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Na-2H"	20.974666
"100103"	617.471663	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M-H+Cl"	33.962126
"538570"	917.716963	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M-H+Cl"	33.962126
"934270"	317.226363	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-H+Cl"	33.962126
"275014"	1235.950602	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+Cl"	34.969402
"674003"	1836.441202	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+Cl"	34.969402
"1287383"	635.460002	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Cl"	34.969402
"26776"	1237.929806	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M-2H+K"	36.948606
"458682"	1838.420406	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M-2H+K"	36.948606
"841952"	637.439206	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-2H+K"	36.948606
"1557783"	637.439206	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+K-2H"	36.948606
"955515"	645.488794	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-H+HCOOH"	44.998194
"370448"	1245.979401	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+HCOOH-H"	44.998201
"358711"	1259.995051	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+Hac-H"	59.013851
"1502073"	659.504451	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Hac-H"	59.013851
"966333"	667.470751	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-H+NaCOOH"	66.980151
"121800"	635.460002	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+2Cl"	69.938804
"555896"	935.705302	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+2Cl"	69.938804
"1022872"	335.214702	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2Cl"	69.938804
"1255216"	679.409485	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Br"	78.918885
"1317303"	681.465472	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Cl+HCOOH"	80.974872
"1332977"	703.447429	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Cl+NaCOOH"	102.956829
"925128"	713.476186	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M-H+CF3COOH"	112.985586
"1297099"	749.452864	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Cl+CF3COOH"	148.962264
"1374528"	565.477924	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H-2H2O"	-35.012676
"1388742"	583.4879	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H-H2O"	-17.0027
"286242"	1201.988476	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+H"	1.007276
"679392"	1802.479076	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+H"	1.007276
"1354284"	601.497876	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H"	1.007276
"128264"	601.497876	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+2H"	2.014552
"568918"	901.743176	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+2H"	2.014552
"1039542"	301.252576	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2H"	2.014552
"205988"	401.334342666667	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+3H"	3.021828
"654664"	601.497876	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+3H"	3.021828
"1175345"	201.170809333333	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+3H"	3.021828
"430599"	1219.015023	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+NH4"	18.033823
"792687"	1819.505623	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+NH4"	18.033823
"1693029"	618.524423	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+NH4"	18.033823
"337299"	610.0111495	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+H+NH4"	19.041099
"727531"	910.2564495	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+H+NH4"	19.041099
"1483541"	309.7658495	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H+NH4"	19.041099
"406596"	1223.970418	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+Na"	22.989218
"769176"	1824.461018	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+Na"	22.989218
"1617397"	623.479818	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Na"	22.989218
"326093"	612.488847	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+H+Na"	23.996494
"715963"	912.734147	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+H+Na"	23.996494
"1468690"	312.243547	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H+Na"	23.996494
"1058653"	208.498123333333	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2H+Na"	25.00377
"1263610"	633.524086	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+CH3OH+H"	33.033486
"384371"	1239.944358	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+K"	38.963158
"741359"	1840.434958	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+K"	38.963158
"1546325"	639.453758	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+K"	38.963158
"307882"	620.475817	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+H+K"	39.970434
"705412"	920.721117	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+H+K"	39.970434
"1454127"	320.230517	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H+K"	39.970434
"248196"	1243.015026	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+ACN+H"	42.033826
"1222728"	642.524426	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+ACN+H"	42.033826
"1205519"	321.765851	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+ACN+2H"	43.041102
"201304"	1245.95236	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+2Na-H"	44.97116
"640500"	1846.44296	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+2Na-H"	44.97116
"1144736"	645.46176	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2Na-H"	44.97116
"186571"	623.479818	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+2Na"	45.978436
"624674"	923.725118	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+2Na"	45.978436
"1125262"	323.234518	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2Na"	45.978436
"1409880"	215.825437333333	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H+2Na"	46.985712
"1439811"	647.503346	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H+HCOOH"	47.012746
"229871"	628.51284	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+3H2O+2H"	56.04448
"1519388"	661.55539	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+IsoProp+H"	61.06479
"413605"	631.466788	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+Na+K"	61.952376
"774603"	931.712088	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+Na+K"	61.952376
"1670935"	331.221488	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Na+K"	61.952376
"258550"	1264.996968	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+ACN+Na"	64.015768
"1228339"	664.506368	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+ACN+Na"	64.015768
"1715771"	664.529893	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+NH4+HCOOH"	64.039293
"1182219"	223.152751333333	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+3Na"	68.967654
"1653566"	669.485288	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Na+HCOOH"	68.994688
"168818"	1277.90024	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+2K-H"	76.91904
"604003"	1878.39084	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+2K-H"	76.91904
"1090703"	677.40964	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2K-H"	76.91904
"148612"	639.453758	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"2M+2K"	77.926316
"588176"	939.699058	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"3M+2K"	77.926316
"1078157"	339.208458	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2K"	77.926316
"1110273"	679.424192	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2K+H"	78.933592
"1349822"	679.511807	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+DMSO+H"	79.021207
"1019565"	683.550976	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2ACN+H"	83.060376
"1534410"	684.544608	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+IsoProp+Na+H"	84.054008
"999764"	342.279126	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+2ACN+2H"	84.067652
"1594267"	685.459228	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+K+HCOOH"	84.968628
"1427582"	715.490738	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+H+CF3COOH"	115.000138
"1162245"	362.792401	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+3ACN+2H"	125.094202
"1707420"	732.517285	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+NH4+CF3COOH"	132.026685
"1649860"	737.47268	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+Na+CF3COOH"	136.98208
"1586380"	753.44662	"C15888"	"3434-Tetrahydrospirilloxanthin"	"C42H64O2"	"600.4906"	"M+K+CF3COOH"	152.95602
"816147"	556.4644	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M"	0
"986637"	537.44601	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-H2O-H"	-19.01839
"76711"	369.968990666667	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M-3H"	-3.021828
"517606"	555.457124	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M-3H"	-3.021828
"893341"	184.480857333333	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-3H"	-3.021828
"14103"	555.457124	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M-2H"	-2.014552
"452936"	833.689324	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M-2H"	-2.014552
"830740"	277.224924	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-2H"	-2.014552
"93404"	1111.921524	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M-H"	-1.007276
"534059"	1668.385924	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M-H"	-1.007276
"911212"	555.457124	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-H"	-1.007276
"60277"	1128.948071	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M-2H+NH4"	16.019271
"500448"	1685.412471	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M-2H+NH4"	16.019271
"877762"	572.483671	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-2H+NH4"	16.019271
"45545"	1133.903466	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M-2H+Na"	20.974666
"480729"	1690.367866	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M-2H+Na"	20.974666
"858529"	577.439066	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-2H+Na"	20.974666
"1629155"	577.439066	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Na-2H"	20.974666
"102404"	573.445463	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M-H+Cl"	33.962126
"545252"	851.677663	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M-H+Cl"	33.962126
"940591"	295.213263	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-H+Cl"	33.962126
"279511"	1147.898202	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+Cl"	34.969402
"667558"	1704.362602	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+Cl"	34.969402
"1283243"	591.433802	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Cl"	34.969402
"26892"	1149.877406	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M-2H+K"	36.948606
"470350"	1706.341806	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M-2H+K"	36.948606
"844623"	593.413006	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-2H+K"	36.948606
"1569938"	593.413006	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+K-2H"	36.948606
"955267"	601.462594	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-H+HCOOH"	44.998194
"373848"	1157.927001	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+HCOOH-H"	44.998201
"358094"	1171.942651	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+Hac-H"	59.013851
"1499999"	615.478251	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Hac-H"	59.013851
"968635"	623.444551	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-H+NaCOOH"	66.980151
"113168"	591.433802	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+2Cl"	69.938804
"562568"	869.666002	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+2Cl"	69.938804
"1028089"	313.201602	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2Cl"	69.938804
"1255324"	635.383285	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Br"	78.918885
"1317774"	637.439272	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Cl+HCOOH"	80.974872
"1324338"	659.421229	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Cl+NaCOOH"	102.956829
"921595"	669.449986	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M-H+CF3COOH"	112.985586
"1300852"	705.426664	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Cl+CF3COOH"	148.962264
"1374639"	521.451724	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H-2H2O"	-35.012676
"1384117"	539.4617	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H-H2O"	-17.0027
"284896"	1113.936076	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+H"	1.007276
"678410"	1670.400476	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+H"	1.007276
"1356220"	557.471676	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H"	1.007276
"137862"	557.471676	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+2H"	2.014552
"580912"	835.703876	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+2H"	2.014552
"1047683"	279.239476	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2H"	2.014552
"217040"	371.983542666667	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+3H"	3.021828
"656965"	557.471676	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+3H"	3.021828
"1171811"	186.495409333333	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+3H"	3.021828
"432896"	1130.962623	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+NH4"	18.033823
"791702"	1687.427023	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+NH4"	18.033823
"1691319"	574.498223	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+NH4"	18.033823
"335221"	565.9849495	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+H+NH4"	19.041099
"734206"	844.2171495	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+H+NH4"	19.041099
"1489850"	287.7527495	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H+NH4"	19.041099
"407438"	1135.918018	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+Na"	22.989218
"764427"	1692.382418	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+Na"	22.989218
"1612522"	579.453618	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Na"	22.989218
"328634"	568.462647	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+H+Na"	23.996494
"721175"	846.694847	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+H+Na"	23.996494
"1475724"	290.230447	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H+Na"	23.996494
"1060585"	193.822723333333	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2H+Na"	25.00377
"1266638"	589.497886	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+CH3OH+H"	33.033486
"388862"	1151.891958	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+K"	38.963158
"747669"	1708.356358	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+K"	38.963158
"1552641"	595.427558	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+K"	38.963158
"307993"	576.449617	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+H+K"	39.970434
"702603"	854.681817	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+H+K"	39.970434
"1450956"	298.217417	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H+K"	39.970434
"247211"	1154.962626	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+ACN+H"	42.033826
"1222472"	598.498226	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+ACN+H"	42.033826
"1207086"	299.752751	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+ACN+2H"	43.041102
"203929"	1157.89996	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+2Na-H"	44.97116
"641339"	1714.36436	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+2Na-H"	44.97116
"1144482"	601.43556	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2Na-H"	44.97116
"187775"	579.453618	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+2Na"	45.978436
"624419"	857.685818	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+2Na"	45.978436
"1125375"	301.221418	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2Na"	45.978436
"1405984"	201.150037333333	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H+2Na"	46.985712
"1437734"	603.477146	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H+HCOOH"	47.012746
"228888"	584.48664	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+3H2O+2H"	56.04448
"1516585"	617.52919	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+IsoProp+H"	61.06479
"415907"	587.440588	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+Na+K"	61.952376
"776901"	865.672788	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+Na+K"	61.952376
"1671043"	309.208388	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Na+K"	61.952376
"256103"	1176.944568	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+ACN+Na"	64.015768
"1240488"	620.480168	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+ACN+Na"	64.015768
"1725728"	620.503693	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+NH4+HCOOH"	64.039293
"1193762"	208.477351333333	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+3Na"	68.967654
"1664263"	625.459088	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Na+HCOOH"	68.994688
"170027"	1189.84784	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+2K-H"	76.91904
"606310"	1746.31224	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+2K-H"	76.91904
"1097384"	633.38344	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2K-H"	76.91904
"155294"	595.427558	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"2M+2K"	77.926316
"594853"	873.659758	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"3M+2K"	77.926316
"1083256"	317.195358	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2K"	77.926316
"1114275"	635.397992	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2K+H"	78.933592
"1344585"	635.485607	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+DMSO+H"	79.021207
"1018582"	639.524776	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2ACN+H"	83.060376
"1536708"	640.518408	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+IsoProp+Na+H"	84.054008
"1002061"	320.266026	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+2ACN+2H"	84.067652
"1592196"	641.433028	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+K+HCOOH"	84.968628
"1420041"	671.464538	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+H+CF3COOH"	115.000138
"1153610"	340.779301	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+3ACN+2H"	125.094202
"1704257"	688.491085	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+NH4+CF3COOH"	132.026685
"1638813"	693.44648	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+Na+CF3COOH"	136.98208
"1586493"	709.42042	"C15892"	"Chloroxanthin;Hydroxyneurosporene"	"C40H60O"	"556.4644"	"M+K+CF3COOH"	152.95602
"807020"	570.4801	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M"	0
"978365"	551.46171	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-H2O-H"	-19.01839
"68801"	379.312790666667	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M-3H"	-3.021828
"506174"	569.472824	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M-3H"	-3.021828
"887254"	189.152757333333	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-3H"	-3.021828
"10931"	569.472824	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M-2H"	-2.014552
"453043"	854.712874	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M-2H"	-2.014552
"826469"	284.232774	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-2H"	-2.014552
"89744"	1139.952924	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M-H"	-1.007276
"530402"	1710.433024	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M-H"	-1.007276
"908203"	569.472824	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-H"	-1.007276
"58203"	1156.979471	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M-2H+NH4"	16.019271
"499949"	1727.459571	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M-2H+NH4"	16.019271
"877630"	586.499371	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-2H+NH4"	16.019271
"39091"	1161.934866	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M-2H+Na"	20.974666
"485333"	1732.414966	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M-2H+Na"	20.974666
"853173"	591.454766	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-2H+Na"	20.974666
"1625991"	591.454766	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Na-2H"	20.974666
"101426"	587.461163	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M-H+Cl"	33.962126
"539890"	872.701213	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M-H+Cl"	33.962126
"938876"	302.221113	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-H+Cl"	33.962126
"281325"	1175.929602	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+Cl"	34.969402
"668763"	1746.409702	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+Cl"	34.969402
"1284448"	605.449502	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Cl"	34.969402
"23726"	1177.908806	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M-2H+K"	36.948606
"462192"	1748.388906	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M-2H+K"	36.948606
"839994"	607.428706	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-2H+K"	36.948606
"1564575"	607.428706	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+K-2H"	36.948606
"956469"	615.478294	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-H+HCOOH"	44.998194
"375046"	1185.958401	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+HCOOH-H"	44.998201
"355648"	1199.974051	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+Hac-H"	59.013851
"1503394"	629.493951	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Hac-H"	59.013851
"964736"	637.460251	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-H+NaCOOH"	66.980151
"120938"	605.449502	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+2Cl"	69.938804
"561593"	890.689552	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+2Cl"	69.938804
"1032581"	320.209452	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2Cl"	69.938804
"1251065"	649.398985	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Br"	78.918885
"1312419"	651.454972	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Cl+HCOOH"	80.974872
"1322258"	673.436929	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Cl+NaCOOH"	102.956829
"915141"	683.465686	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M-H+CF3COOH"	112.985586
"1288510"	719.442364	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Cl+CF3COOH"	148.962264
"1367942"	535.467424	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H-2H2O"	-35.012676
"1383981"	553.4774	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H-H2O"	-17.0027
"290844"	1141.967476	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+H"	1.007276
"690885"	1712.447576	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+H"	1.007276
"1358525"	571.487376	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H"	1.007276
"133599"	571.487376	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+2H"	2.014552
"573161"	856.727426	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+2H"	2.014552
"1047425"	286.247326	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2H"	2.014552
"213142"	381.327342666667	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+3H"	3.021828
"653793"	571.487376	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+3H"	3.021828
"1166455"	191.167309333333	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+3H"	3.021828
"437389"	1158.994023	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+NH4"	18.033823
"798383"	1729.474123	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+NH4"	18.033823
"1691434"	588.513923	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+NH4"	18.033823
"340803"	580.0006495	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+H+NH4"	19.041099
"731039"	865.2406995	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+H+NH4"	19.041099
"1483766"	294.7605995	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H+NH4"	19.041099
"399165"	1163.949418	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+Na"	22.989218
"759066"	1734.429518	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+Na"	22.989218
"1611538"	593.469318	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Na"	22.989218
"322668"	582.478347	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+H+Na"	23.996494
"711810"	867.718397	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+H+Na"	23.996494
"1467817"	297.238297	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H+Na"	23.996494
"1065440"	198.494623333333	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2H+Na"	25.00377
"1266023"	603.513586	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+CH3OH+H"	33.033486
"388974"	1179.923358	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+K"	38.963158
"753372"	1750.403458	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+K"	38.963158
"1549835"	609.443258	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+K"	38.963158
"309199"	590.465317	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+H+K"	39.970434
"702713"	875.705367	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+H+K"	39.970434
"1454345"	305.225267	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H+K"	39.970434
"246229"	1182.994026	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+ACN+H"	42.033826
"1221125"	612.513926	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+ACN+H"	42.033826
"1205009"	306.760601	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+ACN+2H"	43.041102
"200067"	1185.93136	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+2Na-H"	44.97116
"642185"	1756.41146	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+2Na-H"	44.97116
"1145323"	615.45126	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2Na-H"	44.97116
"184608"	593.469318	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+2Na"	45.978436
"621252"	878.709368	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+2Na"	45.978436
"1119656"	308.229268	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2Na"	45.978436
"1406460"	205.821937333333	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H+2Na"	46.985712
"1440398"	617.492846	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H+HCOOH"	47.012746
"231915"	598.50234	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+3H2O+2H"	56.04448
"1518884"	631.54489	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+IsoProp+H"	61.06479
"417840"	601.456288	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+Na+K"	61.952376
"777014"	886.696338	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+Na+K"	61.952376
"1677361"	316.216238	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Na+K"	61.952376
"264976"	1204.975968	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+ACN+Na"	64.015768
"1236592"	634.495868	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+ACN+Na"	64.015768
"1722568"	634.519393	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+NH4+HCOOH"	64.039293
"1187921"	213.149251333333	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+3Na"	68.967654
"1661097"	639.474788	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Na+HCOOH"	68.994688
"169050"	1217.87924	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+2K-H"	76.91904
"607518"	1788.35934	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+2K-H"	76.91904
"1096404"	647.39914	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2K-H"	76.91904
"154312"	609.443258	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"2M+2K"	77.926316
"594723"	894.683308	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"3M+2K"	77.926316
"1078385"	324.203208	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2K"	77.926316
"1112688"	649.413692	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2K+H"	78.933592
"1343605"	649.501307	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+DMSO+H"	79.021207
"1015415"	653.540476	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2ACN+H"	83.060376
"1528075"	654.534108	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+IsoProp+Na+H"	84.054008
"995615"	327.273876	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+2ACN+2H"	84.067652
"1602151"	655.448728	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+K+HCOOH"	84.968628
"1428543"	685.480238	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+H+CF3COOH"	115.000138
"1157006"	347.787151	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+3ACN+2H"	125.094202
"1712620"	702.506785	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+NH4+CF3COOH"	132.026685
"1648768"	707.46218	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+Na+CF3COOH"	136.98208
"1586605"	723.43612	"C15895"	"34-Dihydrospheroidene;Methoxyneurosporene"	"C41H62O"	"570.4801"	"M+K+CF3COOH"	152.95602
"813692"	554.4488	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M"	0
"975565"	535.43041	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-H2O-H"	-19.01839
"65265"	368.625257333333	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M-3H"	-3.021828
"510656"	553.441524	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M-3H"	-3.021828
"886272"	183.808990666667	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-3H"	-3.021828
"9220"	553.441524	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M-2H"	-2.014552
"446593"	830.665924	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M-2H"	-2.014552
"829504"	276.217124	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-2H"	-2.014552
"91682"	1107.890324	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M-H"	-1.007276
"532578"	1662.339124	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M-H"	-1.007276
"907220"	553.441524	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-H"	-1.007276
"55032"	1124.916871	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M-2H+NH4"	16.019271
"500060"	1679.365671	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M-2H+NH4"	16.019271
"873489"	570.468071	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-2H+NH4"	16.019271
"37015"	1129.872266	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M-2H+Na"	20.974666
"480949"	1684.321066	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M-2H+Na"	20.974666
"851825"	575.423466	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-2H+Na"	20.974666
"1621357"	575.423466	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Na-2H"	20.974666
"99347"	571.429863	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M-H+Cl"	33.962126
"545472"	848.654263	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M-H+Cl"	33.962126
"937897"	294.205463	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-H+Cl"	33.962126
"277546"	1143.867002	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+Cl"	34.969402
"667779"	1698.315802	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+Cl"	34.969402
"1280183"	589.418202	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Cl"	34.969402
"24927"	1145.846206	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M-2H+K"	36.948606
"468863"	1700.295006	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M-2H+K"	36.948606
"843384"	591.397406	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-2H+K"	36.948606
"1560311"	591.397406	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+K-2H"	36.948606
"948194"	599.446994	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-H+HCOOH"	44.998194
"372969"	1153.895801	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+HCOOH-H"	44.998201
"353579"	1167.911451	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+Hac-H"	59.013851
"1502412"	613.462651	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Hac-H"	59.013851
"966674"	621.428951	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-H+NaCOOH"	66.980151
"121416"	589.418202	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+2Cl"	69.938804
"561339"	866.642602	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+2Cl"	69.938804
"1025764"	312.193802	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2Cl"	69.938804
"1244249"	633.367685	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Br"	78.918885
"1307791"	635.423672	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Cl+HCOOH"	80.974872
"1324194"	657.405629	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Cl+NaCOOH"	102.956829
"914158"	667.434386	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M-H+CF3COOH"	112.985586
"1292321"	703.411064	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Cl+CF3COOH"	148.962264
"1368422"	519.436124	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H-2H2O"	-35.012676
"1383607"	537.4461	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H-H2O"	-17.0027
"294602"	1109.904876	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+H"	1.007276
"682285"	1664.353676	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+H"	1.007276
"1358635"	555.456076	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H"	1.007276
"136264"	555.456076	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+2H"	2.014552
"568169"	832.680476	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+2H"	2.014552
"1046445"	278.231676	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2H"	2.014552
"215439"	370.639809333333	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+3H"	3.021828
"655732"	555.456076	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+3H"	3.021828
"1172041"	185.823542666667	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+3H"	3.021828
"436406"	1126.931423	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+NH4"	18.033823
"796305"	1681.380223	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+NH4"	18.033823
"1691544"	572.482623	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+NH4"	18.033823
"337638"	563.9693495	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+H+NH4"	19.041099
"728961"	841.1937495	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+H+NH4"	19.041099
"1482781"	286.7449495	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H+NH4"	19.041099
"398182"	1131.886818	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+Na"	22.989218
"758084"	1686.335618	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+Na"	22.989218
"1610556"	577.438018	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Na"	22.989218
"320593"	566.447047	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+H+Na"	23.996494
"710828"	843.671447	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+H+Na"	23.996494
"1464651"	289.222647	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H+Na"	23.996494
"1062269"	193.150856666667	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2H+Na"	25.00377
"1261033"	587.482286	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+CH3OH+H"	33.033486
"386897"	1147.860758	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+K"	38.963158
"745706"	1702.309558	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+K"	38.963158
"1546664"	593.411958	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+K"	38.963158
"310403"	574.434017	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+H+K"	39.970434
"697356"	851.658417	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+H+K"	39.970434
"1457740"	297.209617	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H+K"	39.970434
"245247"	1150.931426	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+ACN+H"	42.033826
"1222333"	596.482626	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+ACN+H"	42.033826
"1204026"	298.744951	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+ACN+2H"	43.041102
"201270"	1153.86876	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+2Na-H"	44.97116
"640836"	1708.31756	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+2Na-H"	44.97116
"1138877"	599.41996	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2Na-H"	44.97116
"177791"	577.438018	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+2Na"	45.978436
"617353"	854.662418	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+2Na"	45.978436
"1119765"	300.213618	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2Na"	45.978436
"1404381"	200.478170666667	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H+2Na"	46.985712
"1437591"	601.461546	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H+HCOOH"	47.012746
"227288"	582.47104	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+3H2O+2H"	56.04448
"1516442"	615.51359	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+IsoProp+H"	61.06479
"415037"	585.424988	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+Na+K"	61.952376
"780049"	862.649388	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+Na+K"	61.952376
"1677473"	308.200588	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Na+K"	61.952376
"255612"	1172.913368	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+ACN+Na"	64.015768
"1233795"	618.464568	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+ACN+Na"	64.015768
"1724865"	618.488093	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+NH4+HCOOH"	64.039293
"1192407"	207.805484666667	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+3Na"	68.967654
"1662301"	623.443488	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Na+HCOOH"	68.994688
"171715"	1185.81664	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+2K-H"	76.91904
"611395"	1740.26544	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+2K-H"	76.91904
"1099433"	631.36784	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2K-H"	76.91904
"155153"	593.411958	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"2M+2K"	77.926316
"593983"	870.636358	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"3M+2K"	77.926316
"1078495"	316.187558	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2K"	77.926316
"1111705"	633.382392	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2K+H"	78.933592
"1343716"	633.470007	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+DMSO+H"	79.021207
"1014433"	637.509176	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2ACN+H"	83.060376
"1532559"	638.502808	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+IsoProp+Na+H"	84.054008
"1000103"	319.258226	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+2ACN+2H"	84.067652
"1601169"	639.417428	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+K+HCOOH"	84.968628
"1428287"	669.448938	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+H+CF3COOH"	115.000138
"1160397"	339.771501	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+3ACN+2H"	125.094202
"1711042"	686.475485	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+NH4+CF3COOH"	132.026685
"1646691"	691.43088	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+Na+CF3COOH"	136.98208
"1586716"	707.40482	"C15898"	"Demethylspheroidene"	"C40H58O"	"554.4488"	"M+K+CF3COOH"	152.95602
"812711"	568.4644	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M"	0
"980775"	549.44601	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-H2O-H"	-19.01839
"70112"	377.968990666667	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M-3H"	-3.021828
"515141"	567.457124	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M-3H"	-3.021828
"891848"	188.480857333333	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-3H"	-3.021828
"12609"	567.457124	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M-2H"	-2.014552
"446703"	851.689324	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M-2H"	-2.014552
"829975"	283.224924	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-2H"	-2.014552
"88874"	1135.921524	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M-H"	-1.007276
"526246"	1704.385924	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M-H"	-1.007276
"907330"	567.457124	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-H"	-1.007276
"58423"	1152.948071	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M-2H+NH4"	16.019271
"499079"	1721.412471	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M-2H+NH4"	16.019271
"872506"	584.483671	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-2H+NH4"	16.019271
"37128"	1157.903466	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M-2H+Na"	20.974666
"476689"	1726.367866	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M-2H+Na"	20.974666
"853393"	589.439066	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-2H+Na"	20.974666
"1624020"	589.439066	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Na-2H"	20.974666
"98366"	585.445463	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M-H+Cl"	33.962126
"545583"	869.677663	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M-H+Cl"	33.962126
"936912"	301.213263	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-H+Cl"	33.962126
"274376"	1171.898202	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+Cl"	34.969402
"670076"	1740.362602	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+Cl"	34.969402
"1283939"	603.433802	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Cl"	34.969402
"21757"	1173.877406	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M-2H+K"	36.948606
"462411"	1742.341806	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M-2H+K"	36.948606
"840212"	605.413006	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-2H+K"	36.948606
"1560421"	605.413006	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+K-2H"	36.948606
"946116"	613.462594	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-H+HCOOH"	44.998194
"365428"	1181.927001	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+HCOOH-H"	44.998201
"354782"	1195.942651	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+Hac-H"	59.013851
"1498876"	627.478251	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Hac-H"	59.013851
"968970"	635.444551	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-H+NaCOOH"	66.980151
"121527"	603.433802	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+2Cl"	69.938804
"554522"	887.666002	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+2Cl"	69.938804
"1023685"	319.201602	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2Cl"	69.938804
"1249097"	647.383285	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Br"	78.918885
"1304313"	649.439272	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Cl+HCOOH"	80.974872
"1322114"	671.421229	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Cl+NaCOOH"	102.956829
"914266"	681.449986	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M-H+CF3COOH"	112.985586
"1291705"	717.426664	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Cl+CF3COOH"	148.962264
"1369870"	533.451724	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H-2H2O"	-35.012676
"1391380"	551.4617	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H-H2O"	-17.0027
"291795"	1137.936076	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+H"	1.007276
"683123"	1706.400476	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+H"	1.007276
"1353275"	569.471676	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H"	1.007276
"127619"	569.471676	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+2H"	2.014552
"567912"	853.703876	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+2H"	2.014552
"1038896"	285.239476	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2H"	2.014552
"205707"	379.983542666667	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+3H"	3.021828
"652926"	569.471676	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+3H"	3.021828
"1167771"	190.495409333333	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+3H"	3.021828
"435418"	1154.962623	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+NH4"	18.033823
"795322"	1723.427023	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+NH4"	18.033823
"1690560"	586.498223	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+NH4"	18.033823
"335559"	577.9849495	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+H+NH4"	19.041099
"727979"	862.2171495	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+H+NH4"	19.041099
"1481069"	293.7527495	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H+NH4"	19.041099
"400479"	1159.918018	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+Na"	22.989218
"759287"	1728.382418	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+Na"	22.989218
"1608482"	591.453618	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Na"	22.989218
"320704"	580.462647	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+H+Na"	23.996494
"710211"	864.694847	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+H+Na"	23.996494
"1464761"	296.230447	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H+Na"	23.996494
"1060193"	197.822723333333	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2H+Na"	25.00377
"1262966"	601.497886	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+CH3OH+H"	33.033486
"382635"	1175.891958	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+K"	38.963158
"744723"	1744.356358	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+K"	38.963158
"1545684"	607.427558	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+K"	38.963158
"303954"	588.449617	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+H+K"	39.970434
"699657"	872.681817	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+H+K"	39.970434
"1454571"	304.217417	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H+K"	39.970434
"243174"	1178.962626	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+ACN+H"	42.033826
"1219164"	610.498226	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+ACN+H"	42.033826
"1200860"	305.752751	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+ACN+2H"	43.041102
"195918"	1181.89996	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+2Na-H"	44.97116
"635478"	1750.36436	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+2Na-H"	44.97116
"1137893"	613.43556	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2Na-H"	44.97116
"176810"	591.453618	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+2Na"	45.978436
"618554"	875.685818	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+2Na"	45.978436
"1119873"	307.221418	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2Na"	45.978436
"1406677"	205.150037333333	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H+2Na"	46.985712
"1435514"	615.477146	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H+HCOOH"	47.012746
"223025"	596.48664	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+3H2O+2H"	56.04448
"1519473"	629.52919	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+IsoProp+H"	61.06479
"419526"	599.440588	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+Na+K"	61.952376
"779431"	883.672788	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+Na+K"	61.952376
"1674671"	315.208388	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Na+K"	61.952376
"261195"	1200.944568	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+ACN+Na"	64.015768
"1239615"	632.480168	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+ACN+Na"	64.015768
"1724976"	632.503693	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+NH4+HCOOH"	64.039293
"1188143"	212.477351333333	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+3Na"	68.967654
"1661316"	637.459088	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Na+HCOOH"	68.994688
"169271"	1213.84784	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+2K-H"	76.91904
"609924"	1782.31224	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+2K-H"	76.91904
"1098570"	645.38344	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2K-H"	76.91904
"153440"	607.427558	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"2M+2K"	77.926316
"594093"	891.659758	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"3M+2K"	77.926316
"1080796"	323.195358	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2K"	77.926316
"1109630"	647.397992	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2K+H"	78.933592
"1349296"	647.485607	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+DMSO+H"	79.021207
"1011264"	651.524776	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2ACN+H"	83.060376
"1538142"	652.518408	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+IsoProp+Na+H"	84.054008
"1004593"	326.266026	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+2ACN+2H"	84.067652
"1600188"	653.433028	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+K+HCOOH"	84.968628
"1419282"	683.464538	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+H+CF3COOH"	115.000138
"1149571"	346.779301	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+3ACN+2H"	125.094202
"1710057"	700.491085	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+NH4+CF3COOH"	132.026685
"1647898"	705.44648	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+Na+CF3COOH"	136.98208
"1586827"	721.42042	"C15900"	"Spheroidene"	"C41H60O"	"568.4644"	"M+K+CF3COOH"	152.95602
"812822"	586.475	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M"	0
"984167"	567.45661	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-H2O-H"	-19.01839
"70223"	389.976057333333	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M-3H"	-3.021828
"514157"	585.467724	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M-3H"	-3.021828
"892688"	194.484390666667	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-3H"	-3.021828
"13816"	585.467724	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M-2H"	-2.014552
"455084"	878.705224	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M-2H"	-2.014552
"828992"	292.230224	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-2H"	-2.014552
"90810"	1171.942724	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M-H"	-1.007276
"531463"	1758.417724	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M-H"	-1.007276
"906349"	585.467724	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-H"	-1.007276
"59628"	1188.969271	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M-2H+NH4"	16.019271
"499189"	1775.444271	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M-2H+NH4"	16.019271
"871523"	602.494271	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-2H+NH4"	16.019271
"35053"	1193.924666	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M-2H+Na"	20.974666
"478986"	1780.399666	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M-2H+Na"	20.974666
"850590"	607.449666	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-2H+Na"	20.974666
"1620852"	607.449666	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Na-2H"	20.974666
"97383"	603.456063	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M-H+Cl"	33.962126
"544601"	896.693563	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M-H+Cl"	33.962126
"941765"	310.218563	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-H+Cl"	33.962126
"277767"	1207.919402	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+Cl"	34.969402
"664720"	1794.394402	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+Cl"	34.969402
"1280403"	621.444402	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Cl"	34.969402
"18589"	1209.898606	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M-2H+K"	36.948606
"469081"	1796.373606	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M-2H+K"	36.948606
"843603"	623.423606	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-2H+K"	36.948606
"1563812"	623.423606	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+K-2H"	36.948606
"951698"	631.473194	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-H+HCOOH"	44.998194
"367726"	1217.948201	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+HCOOH-H"	44.998201
"354892"	1231.963851	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+Hac-H"	59.013851
"1499352"	645.488851	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Hac-H"	59.013851
"970176"	653.455151	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-H+NaCOOH"	66.980151
"111792"	621.444402	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+2Cl"	69.938804
"557184"	914.681902	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+2Cl"	69.938804
"1024162"	328.206902	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2Cl"	69.938804
"1245197"	665.393885	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Br"	78.918885
"1306186"	667.449872	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Cl+HCOOH"	80.974872
"1322954"	689.431829	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Cl+NaCOOH"	102.956829
"915836"	699.460586	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M-H+CF3COOH"	112.985586
"1294737"	735.437264	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Cl+CF3COOH"	148.962264
"1380921"	551.462324	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H-2H2O"	-35.012676
"1391490"	569.4723	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H-H2O"	-17.0027
"294458"	1173.957276	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+H"	1.007276
"684692"	1760.432276	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+H"	1.007276
"1353385"	587.482276	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H"	1.007276
"130648"	587.482276	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+2H"	2.014552
"573854"	880.719776	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+2H"	2.014552
"1040101"	294.244776	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2H"	2.014552
"206909"	391.990609333333	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+3H"	3.021828
"653036"	587.482276	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+3H"	3.021828
"1171162"	196.498942666667	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+3H"	3.021828
"428966"	1190.983823	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+NH4"	18.033823
"794336"	1777.458823	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+NH4"	18.033823
"1691761"	604.508823	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+NH4"	18.033823
"338945"	595.9955495	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+H+NH4"	19.041099
"731364"	889.2330495	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+H+NH4"	19.041099
"1480815"	302.7580495	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H+NH4"	19.041099
"397309"	1195.939218	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+Na"	22.989218
"757211"	1782.414218	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+Na"	22.989218
"1607499"	609.464218	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Na"	22.989218
"325191"	598.473247	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+H+Na"	23.996494
"713238"	891.710747	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+H+Na"	23.996494
"1465964"	305.235747	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H+Na"	23.996494
"1056292"	203.826256666667	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2H+Na"	25.00377
"1262345"	619.508486	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+CH3OH+H"	33.033486
"386024"	1211.913158	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+K"	38.963158
"745925"	1798.388158	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+K"	38.963158
"1542147"	625.438158	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+K"	38.963158
"305156"	606.460217	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+H+K"	39.970434
"694296"	899.697717	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+H+K"	39.970434
"1450303"	313.222717	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H+K"	39.970434
"242191"	1214.983826	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+ACN+H"	42.033826
"1217087"	628.508826	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+ACN+H"	42.033826
"1203157"	314.758051	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+ACN+2H"	43.041102
"194934"	1217.92116	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+2Na-H"	44.97116
"637777"	1804.39616	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+2Na-H"	44.97116
"1139096"	631.44616	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2Na-H"	44.97116
"175948"	609.464218	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+2Na"	45.978436
"615506"	902.701718	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+2Na"	45.978436
"1119984"	316.226718	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2Na"	45.978436
"1404602"	211.153570666667	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H+2Na"	46.985712
"1430643"	633.487746	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H+HCOOH"	47.012746
"222041"	614.49724	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+3H2O+2H"	56.04448
"1522992"	647.53979	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+IsoProp+H"	61.06479
"419642"	617.451188	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+Na+K"	61.952376
"779544"	910.688688	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+Na+K"	61.952376
"1675874"	324.213688	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Na+K"	61.952376
"263492"	1236.965768	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+ACN+Na"	64.015768
"1237295"	650.490768	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+ACN+Na"	64.015768
"1727762"	650.514293	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+NH4+HCOOH"	64.039293
"1193357"	218.480884666667	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+3Na"	68.967654
"1664706"	655.469688	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Na+HCOOH"	68.994688
"172666"	1249.86904	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+2K-H"	76.91904
"611858"	1836.34404	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+2K-H"	76.91904
"1099657"	663.39404	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2K-H"	76.91904
"153550"	625.438158	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"2M+2K"	77.926316
"593111"	918.675658	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"3M+2K"	77.926316
"1081999"	332.200658	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2K"	77.926316
"1110834"	665.408592	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2K+H"	78.933592
"1345030"	665.496207	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+DMSO+H"	79.021207
"1013561"	669.535376	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2ACN+H"	83.060376
"1539104"	670.529008	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+IsoProp+Na+H"	84.054008
"1002514"	335.271326	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+2ACN+2H"	84.067652
"1599202"	671.443628	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+K+HCOOH"	84.968628
"1417206"	701.475138	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+H+CF3COOH"	115.000138
"1151869"	355.784601	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+3ACN+2H"	125.094202
"1710168"	718.501685	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+NH4+CF3COOH"	132.026685
"1649751"	723.45708	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+Na+CF3COOH"	136.98208
"1586937"	739.43102	"C15902"	"Hydroxyspheroidene"	"C41H62O2"	"586.475"	"M+K+CF3COOH"	152.95602
"810745"	582.4437	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M"	0
"980996"	563.42531	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-H2O-H"	-19.01839
"71427"	387.288524	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M-3H"	-3.021828
"514267"	581.436424	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M-3H"	-3.021828
"887695"	193.140624	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-3H"	-3.021828
"12832"	581.436424	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M-2H"	-2.014552
"449116"	872.658274	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M-2H"	-2.014552
"824731"	290.214574	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-2H"	-2.014552
"82536"	1163.880124	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M-H"	-1.007276
"523191"	1746.323824	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M-H"	-1.007276
"900991"	581.436424	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-H"	-1.007276
"55364"	1180.906671	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M-2H+NH4"	16.019271
"494926"	1763.350371	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M-2H+NH4"	16.019271
"871633"	598.462971	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-2H+NH4"	16.019271
"35163"	1185.862066	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M-2H+Na"	20.974666
"476909"	1768.305766	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M-2H+Na"	20.974666
"850336"	603.418366	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-2H+Na"	20.974666
"1619139"	603.418366	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Na-2H"	20.974666
"96400"	599.424763	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M-H+Cl"	33.962126
"542523"	890.646613	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M-H+Cl"	33.962126
"936774"	308.202913	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-H+Cl"	33.962126
"277877"	1199.856802	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+Cl"	34.969402
"662643"	1782.300502	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+Cl"	34.969402
"1280513"	617.413102	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Cl"	34.969402
"18699"	1201.836006	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M-2H+K"	36.948606
"465911"	1784.279706	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M-2H+K"	36.948606
"843713"	619.392306	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-2H+K"	36.948606
"1560642"	619.392306	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+K-2H"	36.948606
"945247"	627.441894	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-H+HCOOH"	44.998194
"363462"	1209.885601	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+HCOOH-H"	44.998201
"353909"	1223.901251	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+Hac-H"	59.013851
"1502742"	641.457551	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Hac-H"	59.013851
"968099"	649.423851	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-H+NaCOOH"	66.980151
"110087"	617.413102	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+2Cl"	69.938804
"556930"	908.634952	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+2Cl"	69.938804
"1025001"	326.191252	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2Cl"	69.938804
"1246038"	661.362585	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Br"	78.918885
"1304713"	663.418572	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Cl+HCOOH"	80.974872
"1320877"	685.400529	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Cl+NaCOOH"	102.956829
"915946"	695.429286	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M-H+CF3COOH"	112.985586
"1293754"	731.405964	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Cl+CF3COOH"	148.962264
"1381764"	547.431024	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H-2H2O"	-35.012676
"1394516"	565.441	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H-H2O"	-17.0027
"294568"	1165.894676	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+H"	1.007276
"685166"	1748.338376	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+H"	1.007276
"1353495"	583.450976	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H"	1.007276
"130758"	583.450976	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+2H"	2.014552
"574692"	874.672826	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+2H"	2.014552
"1040211"	292.229126	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2H"	2.014552
"206168"	389.303076	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+3H"	3.021828
"646583"	583.450976	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+3H"	3.021828
"1167991"	195.155176	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+3H"	3.021828
"429076"	1182.921223	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+NH4"	18.033823
"792260"	1765.364923	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+NH4"	18.033823
"1690778"	600.477523	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+NH4"	18.033823
"337962"	591.9642495	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+H+NH4"	19.041099
"728195"	883.1860995	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+H+NH4"	19.041099
"1480925"	300.7423995	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H+NH4"	19.041099
"399606"	1187.876618	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+Na"	22.989218
"756592"	1770.320318	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+Na"	22.989218
"1607610"	605.432918	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Na"	22.989218
"322020"	594.441947	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+H+Na"	23.996494
"710068"	885.663797	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+H+Na"	23.996494
"1465345"	303.220097	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H+Na"	23.996494
"1053032"	202.48249	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2H+Na"	25.00377
"1257306"	615.477186	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+CH3OH+H"	33.033486
"379937"	1203.850558	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+K"	38.963158
"747128"	1786.294258	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+K"	38.963158
"1544807"	621.406858	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+K"	38.963158
"302347"	602.428917	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+H+K"	39.970434
"694405"	893.650767	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+H+K"	39.970434
"1448591"	311.207067	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H+K"	39.970434
"241206"	1206.921226	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+ACN+H"	42.033826
"1215005"	624.477526	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+ACN+H"	42.033826
"1199984"	312.742401	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+ACN+2H"	43.041102
"192857"	1209.85856	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+2Na-H"	44.97116
"632417"	1792.30226	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+2Na-H"	44.97116
"1135923"	627.41486	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2Na-H"	44.97116
"175084"	605.432918	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+2Na"	45.978436
"614401"	896.654768	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+2Na"	45.978436
"1116812"	314.211068	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2Na"	45.978436
"1400336"	209.809804	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H+2Na"	46.985712
"1431481"	629.456446	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H+HCOOH"	47.012746
"223243"	610.46594	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+3H2O+2H"	56.04448
"1515683"	643.50849	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+IsoProp+H"	61.06479
"417563"	613.419888	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+Na+K"	61.952376
"781836"	904.641738	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+Na+K"	61.952376
"1673798"	322.198038	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Na+K"	61.952376
"264694"	1228.903168	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+ACN+Na"	64.015768
"1237402"	646.459468	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+ACN+Na"	64.015768
"1726287"	646.482993	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+NH4+HCOOH"	64.039293
"1191643"	217.137118	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+3Na"	68.967654
"1663723"	651.438388	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Na+HCOOH"	68.994688
"171923"	1241.80644	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+2K-H"	76.91904
"607957"	1824.25014	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+2K-H"	76.91904
"1098791"	659.36274	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2K-H"	76.91904
"154753"	621.406858	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"2M+2K"	77.926316
"592125"	912.628708	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"3M+2K"	77.926316
"1077731"	330.185008	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2K"	77.926316
"1108757"	661.377292	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2K+H"	78.933592
"1341860"	661.464907	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+DMSO+H"	79.021207
"1010390"	665.504076	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2ACN+H"	83.060376
"1531798"	666.497708	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+IsoProp+Na+H"	84.054008
"1002621"	333.255676	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+2ACN+2H"	84.067652
"1598217"	667.412328	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+K+HCOOH"	84.968628
"1424971"	697.443838	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+H+CF3COOH"	115.000138
"1153071"	353.768951	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+3ACN+2H"	125.094202
"1703716"	714.470385	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+NH4+CF3COOH"	132.026685
"1637180"	719.42578	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+Na+CF3COOH"	136.98208
"1577205"	735.39972	"C15903"	"Spheroidenone;Spheroiden-2-one"	"C41H58O2"	"582.4437"	"M+K+CF3COOH"	152.95602
"810855"	600.4542	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M"	0
"987666"	581.43581	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-H2O-H"	-19.01839
"73723"	399.295524	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M-3H"	-3.021828
"516564"	599.446924	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M-3H"	-3.021828
"889992"	199.144124	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-3H"	-3.021828
"7474"	599.446924	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M-2H"	-2.014552
"442662"	899.674024	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M-2H"	-2.014552
"823744"	299.219824	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-2H"	-2.014552
"87018"	1199.901124	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M-H"	-1.007276
"526580"	1800.355324	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M-H"	-1.007276
"903286"	599.446924	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-H"	-1.007276
"50010"	1216.927671	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M-2H+NH4"	16.019271
"493943"	1817.381871	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M-2H+NH4"	16.019271
"866277"	616.473471	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-2H+NH4"	16.019271
"36366"	1221.883066	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M-2H+Na"	20.974666
"475926"	1822.337266	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M-2H+Na"	20.974666
"850081"	621.428866	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-2H+Na"	20.974666
"1622167"	621.428866	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Na-2H"	20.974666
"103073"	617.435263	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M-H+Cl"	33.962126
"538266"	917.662363	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M-H+Cl"	33.962126
"936884"	317.208163	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-H+Cl"	33.962126
"276895"	1235.877802	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+Cl"	34.969402
"668222"	1836.332002	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+Cl"	34.969402
"1281720"	635.423602	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Cl"	34.969402
"22089"	1237.857006	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M-2H+K"	36.948606
"468208"	1838.311206	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M-2H+K"	36.948606
"843823"	637.402806	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-2H+K"	36.948606
"1560756"	637.402806	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+K-2H"	36.948606
"944626"	645.452394	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-H+HCOOH"	44.998194
"363206"	1245.906601	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+HCOOH-H"	44.998201
"352927"	1259.922251	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+Hac-H"	59.013851
"1497751"	659.468051	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Hac-H"	59.013851
"960919"	667.434351	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-H+NaCOOH"	66.980151
"113471"	635.423602	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+2Cl"	69.938804
"559957"	935.650702	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+2Cl"	69.938804
"1026204"	335.196502	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2Cl"	69.938804
"1241775"	679.373085	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Br"	78.918885
"1304352"	681.429072	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Cl+HCOOH"	80.974872
"1322809"	703.411029	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Cl+NaCOOH"	102.956829
"922626"	713.439786	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M-H+CF3COOH"	112.985586
"1301160"	749.416464	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Cl+CF3COOH"	148.962264
"1375309"	565.441524	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H-2H2O"	-35.012676
"1388431"	583.4515	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H-H2O"	-17.0027
"285931"	1201.915676	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+H"	1.007276
"679446"	1802.369876	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+H"	1.007276
"1355794"	601.461476	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H"	1.007276
"127712"	601.461476	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+2H"	2.014552
"569336"	901.688576	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+2H"	2.014552
"1043606"	301.234376	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2H"	2.014552
"216613"	401.310076	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+3H"	3.021828
"657998"	601.461476	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+3H"	3.021828
"1170288"	201.158676	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+3H"	3.021828
"429186"	1218.942223	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+NH4"	18.033823
"798932"	1819.396423	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+NH4"	18.033823
"1693078"	618.488023	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+NH4"	18.033823
"339168"	609.9747495	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+H+NH4"	19.041099
"730493"	910.2018495	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+H+NH4"	19.041099
"1485407"	309.7476495	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H+NH4"	19.041099
"400808"	1223.897618	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+Na"	22.989218
"758893"	1824.351818	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+Na"	22.989218
"1606623"	623.443418	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Na"	22.989218
"317757"	612.452447	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+H+Na"	23.996494
"712365"	912.679547	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+H+Na"	23.996494
"1463265"	312.225347	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H+Na"	23.996494
"1056876"	208.48599	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2H+Na"	25.00377
"1258918"	633.487686	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+CH3OH+H"	33.033486
"381139"	1239.871558	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+K"	38.963158
"747238"	1840.325758	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+K"	38.963158
"1544188"	639.417358	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+K"	38.963158
"302457"	620.439417	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+H+K"	39.970434
"693786"	920.666517	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+H+K"	39.970434
"1450522"	320.212317	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H+K"	39.970434
"241311"	1242.942226	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+ACN+H"	42.033826
"1219494"	642.488026	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+ACN+H"	42.033826
"1199002"	321.747651	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+ACN+2H"	43.041102
"194062"	1245.87956	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+2Na-H"	44.97116
"636902"	1846.33376	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+2Na-H"	44.97116
"1136036"	645.42536	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2Na-H"	44.97116
"176046"	623.443418	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+2Na"	45.978436
"616698"	923.670518	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+2Na"	45.978436
"1116921"	323.216318	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2Na"	45.978436
"1400447"	215.813304	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H+2Na"	46.985712
"1434750"	647.466946	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H+HCOOH"	47.012746
"229920"	628.47644	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+3H2O+2H"	56.04448
"1522240"	661.51899	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+IsoProp+H"	61.06479
"420956"	631.430388	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+Na+K"	61.952376
"775388"	931.657488	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+Na+K"	61.952376
"1673907"	331.203288	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Na+K"	61.952376
"264801"	1264.924168	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+ACN+Na"	64.015768
"1237511"	664.469968	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+ACN+Na"	64.015768
"1724210"	664.493493	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+NH4+HCOOH"	64.039293
"1188471"	223.140618	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+3Na"	68.967654
"1663592"	669.448888	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Na+HCOOH"	68.994688
"170335"	1277.82744	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+2K-H"	76.91904
"609160"	1878.28164	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+2K-H"	76.91904
"1097684"	677.37324	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2K-H"	76.91904
"155957"	639.417358	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"2M+2K"	77.926316
"593328"	939.644458	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"3M+2K"	77.926316
"1083310"	339.190258	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2K"	77.926316
"1107772"	679.387792	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2K+H"	78.933592
"1338689"	679.475407	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+DMSO+H"	79.021207
"1009407"	683.514576	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2ACN+H"	83.060376
"1534094"	684.508208	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+IsoProp+Na+H"	84.054008
"1002730"	342.260926	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+2ACN+2H"	84.067652
"1595046"	685.422828	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+K+HCOOH"	84.968628
"1417426"	715.454338	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+H+CF3COOH"	115.000138
"1149900"	362.774201	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+3ACN+2H"	125.094202
"1697140"	732.480885	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+NH4+CF3COOH"	132.026685
"1637290"	737.43628	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+Na+CF3COOH"	136.98208
"1572942"	753.41022	"C15905"	"Hydroxyspheroidenone"	"C41H60O3"	"600.4542"	"M+K+CF3COOH"	152.95602
"804405"	538.4539	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M"	0
"979029"	519.43551	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-H2O-H"	-19.01839
"70550"	357.961990666667	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M-3H"	-3.021828
"512298"	537.446624	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M-3H"	-3.021828
"885727"	178.477357333333	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-3H"	-3.021828
"2119"	537.446624	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M-2H"	-2.014552
"446051"	806.673574	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M-2H"	-2.014552
"823852"	268.219674	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-2H"	-2.014552
"82751"	1075.900524	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M-H"	-1.007276
"524500"	1614.354424	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M-H"	-1.007276
"900115"	537.446624	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-H"	-1.007276
"54491"	1092.927071	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M-2H+NH4"	16.019271
"488098"	1631.380971	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M-2H+NH4"	16.019271
"865170"	554.473171	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-2H+NH4"	16.019271
"32828"	1097.882466	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M-2H+Na"	20.974666
"478224"	1636.336366	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M-2H+Na"	20.974666
"850679"	559.428566	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-2H+Na"	20.974666
"1632003"	559.428566	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Na-2H"	20.974666
"101001"	555.434963	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M-H+Cl"	33.962126
"543843"	824.661913	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M-H+Cl"	33.962126
"937360"	286.208013	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-H+Cl"	33.962126
"274818"	1111.877202	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+Cl"	34.969402
"667245"	1650.331102	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+Cl"	34.969402
"1278551"	573.423302	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Cl"	34.969402
"22199"	1113.856406	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M-2H+K"	36.948606
"466132"	1652.310306	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M-2H+K"	36.948606
"838471"	575.402506	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-2H+K"	36.948606
"1557586"	575.402506	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+K-2H"	36.948606
"945102"	583.452094	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-H+HCOOH"	44.998194
"370250"	1121.906001	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+HCOOH-H"	44.998201
"350854"	1135.921651	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+Hac-H"	59.013851
"1494945"	597.467751	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Hac-H"	59.013851
"958718"	605.434051	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-H+NaCOOH"	66.980151
"112000"	573.423302	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+2Cl"	69.938804
"551681"	842.650252	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+2Cl"	69.938804
"1023035"	304.196352	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2Cl"	69.938804
"1242002"	617.372785	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Br"	78.918885
"1305047"	619.428772	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Cl+HCOOH"	80.974872
"1334599"	641.410729	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Cl+NaCOOH"	102.956829
"923834"	651.439486	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M-H+CF3COOH"	112.985586
"1301635"	687.416164	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Cl+CF3COOH"	148.962264
"1382347"	503.441224	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H-2H2O"	-35.012676
"1395104"	521.4512	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H-H2O"	-17.0027
"295884"	1077.915076	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+H"	1.007276
"688305"	1616.368976	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+H"	1.007276
"1362467"	539.461176	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H"	1.007276
"130982"	539.461176	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+2H"	2.014552
"579901"	808.688126	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+2H"	2.014552
"1052699"	270.234226	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2H"	2.014552
"217817"	359.976542666667	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+3H"	3.021828
"658473"	539.461176	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+3H"	3.021828
"1177691"	180.491909333333	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+3H"	3.021828
"431490"	1094.941623	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+NH4"	18.033823
"798679"	1633.395523	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+NH4"	18.033823
"1689904"	556.487723	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+NH4"	18.033823
"339279"	547.9744495	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+H+NH4"	19.041099
"730605"	817.2013995	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+H+NH4"	19.041099
"1483330"	278.7474995	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H+NH4"	19.041099
"397641"	1099.897018	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+Na"	22.989218
"758271"	1638.350918	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+Na"	22.989218
"1606733"	561.443118	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Na"	22.989218
"317496"	550.452147	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+H+Na"	23.996494
"710281"	819.679097	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+H+Na"	23.996494
"1463131"	281.225197	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H+Na"	23.996494
"1055528"	187.819223333333	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2H+Na"	25.00377
"1258179"	571.487386	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+CH3OH+H"	33.033486
"378333"	1115.870958	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+K"	38.963158
"739693"	1654.324858	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+K"	38.963158
"1541747"	577.417058	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+K"	38.963158
"302204"	558.439117	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+H+K"	39.970434
"693532"	827.666067	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+H+K"	39.970434
"1451730"	289.212167	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H+K"	39.970434
"242521"	1118.941626	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+ACN+H"	42.033826
"1214500"	580.487726	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+ACN+H"	42.033826
"1195834"	290.747501	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+ACN+2H"	43.041102
"188905"	1121.87896	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+2Na-H"	44.97116
"628640"	1660.33286	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+2Na-H"	44.97116
"1132621"	583.42506	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2Na-H"	44.97116
"174211"	561.443118	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+2Na"	45.978436
"613159"	830.670068	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+2Na"	45.978436
"1116545"	292.216168	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2Na"	45.978436
"1398973"	195.146537333333	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H+2Na"	46.985712
"1444357"	585.466646	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H+HCOOH"	47.012746
"234408"	566.47614	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+3H2O+2H"	56.04448
"1518095"	599.51869	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+IsoProp+H"	61.06479
"418879"	569.430088	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+Na+K"	61.952376
"780967"	838.657038	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+Na+K"	61.952376
"1671830"	300.203138	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Na+K"	61.952376
"259444"	1140.923568	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+ACN+Na"	64.015768
"1234340"	602.469668	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+ACN+Na"	64.015768
"1721039"	602.493193	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+NH4+HCOOH"	64.039293
"1188580"	202.473851333333	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+3Na"	68.967654
"1662847"	607.448588	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Na+HCOOH"	68.994688
"170802"	1153.82684	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+2K-H"	76.91904
"610362"	1692.28074	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+2K-H"	76.91904
"1092687"	615.37294	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2K-H"	76.91904
"152784"	577.417058	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"2M+2K"	77.926316
"592345"	846.644008	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"3M+2K"	77.926316
"1073580"	308.190108	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2K"	77.926316
"1100347"	617.387492	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2K+H"	78.933592
"1343175"	617.475107	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+DMSO+H"	79.021207
"1010611"	621.514276	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2ACN+H"	83.060376
"1536029"	622.507908	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+IsoProp+Na+H"	84.054008
"995187"	311.260776	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+2ACN+2H"	84.067652
"1587377"	623.422528	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+K+HCOOH"	84.968628
"1414191"	653.454038	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+H+CF3COOH"	115.000138
"1147247"	331.774051	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+3ACN+2H"	125.094202
"1697489"	670.480585	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+NH4+CF3COOH"	132.026685
"1634356"	675.43598	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+Na+CF3COOH"	136.98208
"1575239"	691.40992	"C15907"	"12-Dihydro-gamma-carotene"	"C40H58"	"538.4539"	"M+K+CF3COOH"	152.95602
"804515"	532.4069	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M"	0
"979139"	513.38851	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-H2O-H"	-19.01839
"69567"	353.930657333333	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M-3H"	-3.021828
"512408"	531.399624	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M-3H"	-3.021828
"885836"	176.461690666667	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-3H"	-3.021828
"4416"	531.399624	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M-2H"	-2.014552
"447253"	797.603074	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M-2H"	-2.014552
"827241"	265.196174	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-2H"	-2.014552
"90515"	1063.806524	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M-H"	-1.007276
"531169"	1596.213424	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M-H"	-1.007276
"906786"	531.399624	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-H"	-1.007276
"58975"	1080.833071	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M-2H+NH4"	16.019271
"490882"	1613.239971	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M-2H+NH4"	16.019271
"865526"	548.426171	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-2H+NH4"	16.019271
"32575"	1085.788466	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M-2H+Na"	20.974666
"477241"	1618.195366	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M-2H+Na"	20.974666
"852855"	553.381566	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-2H+Na"	20.974666
"1630413"	553.381566	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Na-2H"	20.974666
"101111"	549.387963	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M-H+Cl"	33.962126
"542860"	815.591413	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M-H+Cl"	33.962126
"937470"	283.184513	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-H+Cl"	33.962126
"276022"	1099.783202	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+Cl"	34.969402
"667355"	1632.190102	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+Cl"	34.969402
"1278661"	567.376302	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Cl"	34.969402
"25589"	1101.762406	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M-2H+K"	36.948606
"468065"	1634.169306	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M-2H+K"	36.948606
"838581"	569.355506	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-2H+K"	36.948606
"1558060"	569.355506	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+K-2H"	36.948606
"947763"	577.405094	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-H+HCOOH"	44.998194
"368171"	1109.812001	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+HCOOH-H"	44.998201
"348777"	1123.827651	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+Hac-H"	59.013851
"1495055"	591.420751	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Hac-H"	59.013851
"960763"	599.387051	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-H+NaCOOH"	66.980151
"111376"	567.376302	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+2Cl"	69.938804
"552519"	833.579752	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+2Cl"	69.938804
"1023145"	301.172852	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2Cl"	69.938804
"1241702"	611.325785	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Br"	78.918885
"1304438"	613.381772	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Cl+HCOOH"	80.974872
"1334345"	635.363729	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Cl+NaCOOH"	102.956829
"924675"	645.392486	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M-H+CF3COOH"	112.985586
"1302475"	681.369164	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Cl+CF3COOH"	148.962264
"1380635"	497.394224	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H-2H2O"	-35.012676
"1395214"	515.4042	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H-H2O"	-17.0027
"295994"	1065.821076	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+H"	1.007276
"687322"	1598.227976	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+H"	1.007276
"1365130"	533.414176	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H"	1.007276
"131092"	533.414176	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+2H"	2.014552
"579039"	799.617626	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+2H"	2.014552
"1052464"	267.210726	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2H"	2.014552
"217198"	355.945209333333	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+3H"	3.021828
"657854"	533.414176	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+3H"	3.021828
"1177924"	178.476242666667	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+3H"	3.021828
"432693"	1082.847623	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+NH4"	18.033823
"795873"	1615.254523	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+NH4"	18.033823
"1688922"	550.440723	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+NH4"	18.033823
"340482"	541.9274495	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+H+NH4"	19.041099
"731808"	808.1308995	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+H+NH4"	19.041099
"1486721"	275.7239995	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H+NH4"	19.041099
"396657"	1087.803018	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+Na"	22.989218
"757654"	1620.209918	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+Na"	22.989218
"1605751"	555.396118	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Na"	22.989218
"317970"	544.405147	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+H+Na"	23.996494
"711485"	810.608597	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+H+Na"	23.996494
"1465307"	278.201697	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H+Na"	23.996494
"1059646"	185.803556666667	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2H+Na"	25.00377
"1260234"	565.440386	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+CH3OH+H"	33.033486
"379901"	1103.776958	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+K"	38.963158
"743445"	1636.183858	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+K"	38.963158
"1545137"	571.370058	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+K"	38.963158
"303407"	552.392117	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+H+K"	39.970434
"700202"	818.595567	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+H+K"	39.970434
"1455116"	286.188667	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H+K"	39.970434
"240444"	1106.847626	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+ACN+H"	42.033826
"1216433"	574.440726	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+ACN+H"	42.033826
"1198129"	287.724001	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+ACN+2H"	43.041102
"192095"	1109.78496	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+2Na-H"	44.97116
"632747"	1642.19186	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+2Na-H"	44.97116
"1137346"	577.37806	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2Na-H"	44.97116
"178451"	555.396118	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+2Na"	45.978436
"613633"	821.599568	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+2Na"	45.978436
"1117506"	289.192668	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2Na"	45.978436
"1401758"	193.130870666667	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H+2Na"	46.985712
"1444949"	579.419646	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H+HCOOH"	47.012746
"234279"	560.42914	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+3H2O+2H"	56.04448
"1522582"	593.47169	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+IsoProp+H"	61.06479
"417893"	563.383088	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+Na+K"	61.952376
"775610"	829.586538	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+Na+K"	61.952376
"1671940"	297.179638	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Na+K"	61.952376
"256274"	1128.829568	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+ACN+Na"	64.015768
"1231170"	596.422668	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+ACN+Na"	64.015768
"1715682"	596.446193	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+NH4+HCOOH"	64.039293
"1182130"	200.458184666667	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+3Na"	68.967654
"1657490"	601.401588	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Na+HCOOH"	68.994688
"168725"	1141.73284	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+2K-H"	76.91904
"608285"	1674.13974	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+2K-H"	76.91904
"1092797"	609.32594	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2K-H"	76.91904
"152894"	571.370058	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"2M+2K"	77.926316
"593548"	837.573508	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"3M+2K"	77.926316
"1074784"	305.166608	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2K"	77.926316
"1101669"	611.340492	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2K+H"	78.933592
"1336110"	611.428107	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+DMSO+H"	79.021207
"1010721"	615.467276	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2ACN+H"	83.060376
"1529941"	616.460908	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+IsoProp+Na+H"	84.054008
"993110"	308.237276	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+2ACN+2H"	84.067652
"1587400"	617.375528	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+K+HCOOH"	84.968628
"1414441"	647.407038	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+H+CF3COOH"	115.000138
"1147443"	328.750551	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+3ACN+2H"	125.094202
"1697130"	664.433585	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+NH4+CF3COOH"	132.026685
"1634586"	669.38898	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+Na+CF3COOH"	136.98208
"1578629"	685.36292	"C15908"	"Chlorobactene"	"C40H52"	"532.4069"	"M+K+CF3COOH"	152.95602
"811186"	534.4226	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M"	0
"989092"	515.40421	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-H2O-H"	-19.01839
"77213"	355.274457333333	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M-3H"	-3.021828
"516894"	533.415324	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M-3H"	-3.021828
"891418"	177.133590666667	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-3H"	-3.021828
"3434"	533.415324	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M-2H"	-2.014552
"450647"	800.626624	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M-2H"	-2.014552
"827355"	266.204024	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-2H"	-2.014552
"94153"	1067.837924	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M-H"	-1.007276
"529096"	1602.260524	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M-H"	-1.007276
"907992"	533.415324	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-H"	-1.007276
"59086"	1084.864471	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M-2H+NH4"	16.019271
"488928"	1619.287071	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M-2H+NH4"	16.019271
"870984"	550.441871	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-2H+NH4"	16.019271
"38884"	1089.819866	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M-2H+Na"	20.974666
"477351"	1624.242466	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M-2H+Na"	20.974666
"852966"	555.397266	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-2H+Na"	20.974666
"1631254"	555.397266	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Na-2H"	20.974666
"108879"	551.403663	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M-H+Cl"	33.962126
"547711"	818.614963	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M-H+Cl"	33.962126
"940860"	284.192363	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-H+Cl"	33.962126
"279414"	1103.814602	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+Cl"	34.969402
"669653"	1638.237202	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+Cl"	34.969402
"1282051"	569.392002	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Cl"	34.969402
"27886"	1105.793806	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M-2H+K"	36.948606
"466353"	1640.216406	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M-2H+K"	36.948606
"845617"	571.371206	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-2H+K"	36.948606
"1567281"	571.371206	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+K-2H"	36.948606
"946781"	579.420794	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-H+HCOOH"	44.998194
"365363"	1113.843401	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+HCOOH-H"	44.998201
"354352"	1127.859051	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+Hac-H"	59.013851
"1498813"	593.436451	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Hac-H"	59.013851
"964531"	601.402751	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-H+NaCOOH"	66.980151
"113071"	569.392002	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+2Cl"	69.938804
"553359"	836.603302	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+2Cl"	69.938804
"1021510"	302.180702	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2Cl"	69.938804
"1242466"	613.341485	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Br"	78.918885
"1305642"	615.397472	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Cl+HCOOH"	80.974872
"1333727"	637.379429	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Cl+NaCOOH"	102.956829
"925880"	647.408186	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M-H+CF3COOH"	112.985586
"1303560"	683.384864	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Cl+CF3COOH"	148.962264
"1380016"	499.409924	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H-2H2O"	-35.012676
"1394231"	517.4199	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H-H2O"	-17.0027
"297198"	1069.852476	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+H"	1.007276
"689619"	1604.275076	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+H"	1.007276
"1366213"	535.429876	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H"	1.007276
"133388"	535.429876	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+2H"	2.014552
"580608"	802.641176	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+2H"	2.014552
"1052332"	268.218576	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2H"	2.014552
"219496"	357.289009333333	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+3H"	3.021828
"654683"	535.429876	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+3H"	3.021828
"1177912"	179.148142666667	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+3H"	3.021828
"434991"	1086.879023	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+NH4"	18.033823
"793796"	1621.301623	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+NH4"	18.033823
"1687939"	552.456423	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+NH4"	18.033823
"339500"	543.9431495	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+H+NH4"	19.041099
"731919"	811.1544495	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+H+NH4"	19.041099
"1486833"	276.7318495	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H+NH4"	19.041099
"401140"	1091.834418	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+Na"	22.989218
"759218"	1626.257018	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+Na"	22.989218
"1608046"	557.411818	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Na"	22.989218
"318446"	546.420847	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+H+Na"	23.996494
"711961"	813.632147	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+H+Na"	23.996494
"1467603"	279.209547	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H+Na"	23.996494
"1061942"	186.475456666667	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2H+Na"	25.00377
"1263621"	567.456086	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+CH3OH+H"	33.033486
"383289"	1107.808358	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+K"	38.963158
"747567"	1642.230958	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+K"	38.963158
"1549621"	573.385758	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+K"	38.963158
"308985"	554.407817	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+H+K"	39.970434
"700312"	821.619117	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+H+K"	39.970434
"1456320"	287.196517	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H+K"	39.970434
"240554"	1110.879026	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+ACN+H"	42.033826
"1216543"	576.456426	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+ACN+H"	42.033826
"1199332"	288.731851	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+ACN+2H"	43.041102
"195484"	1113.81636	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+2Na-H"	44.97116
"635044"	1648.23896	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+2Na-H"	44.97116
"1137457"	579.39376	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2Na-H"	44.97116
"180748"	557.411818	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+2Na"	45.978436
"615933"	824.623118	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+2Na"	45.978436
"1119438"	290.200518	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2Na"	45.978436
"1399192"	193.802770666667	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H+2Na"	46.985712
"1445460"	581.435346	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H+HCOOH"	47.012746
"234631"	562.44484	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+3H2O+2H"	56.04448
"1523422"	595.48739	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+IsoProp+H"	61.06479
"418003"	565.398788	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+Na+K"	61.952376
"775720"	832.610088	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+Na+K"	61.952376
"1667066"	298.187488	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Na+K"	61.952376
"256384"	1132.860968	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+ACN+Na"	64.015768
"1234560"	598.438368	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+ACN+Na"	64.015768
"1719072"	598.461893	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+NH4+HCOOH"	64.039293
"1183333"	201.130084666667	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+3Na"	68.967654
"1664161"	603.417288	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Na+HCOOH"	68.994688
"167743"	1145.76424	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+2K-H"	76.91904
"606210"	1680.18684	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+2K-H"	76.91904
"1097284"	611.34164	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2K-H"	76.91904
"154830"	573.385758	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"2M+2K"	77.926316
"594392"	840.597058	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"3M+2K"	77.926316
"1071614"	306.174458	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2K"	77.926316
"1102998"	613.356192	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2K+H"	78.933592
"1337927"	613.443807	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+DMSO+H"	79.021207
"1013018"	617.482976	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2ACN+H"	83.060376
"1526891"	618.476608	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+IsoProp+Na+H"	84.054008
"995406"	309.245126	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+2ACN+2H"	84.067652
"1587595"	619.391228	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+K+HCOOH"	84.968628
"1415080"	649.422738	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+H+CF3COOH"	115.000138
"1148769"	329.758401	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+3ACN+2H"	125.094202
"1697268"	666.449285	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+NH4+CF3COOH"	132.026685
"1634700"	671.40468	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+Na+CF3COOH"	136.98208
"1575459"	687.37862	"C15910"	"12-Dihydrochlorobactene"	"C40H54"	"534.4226"	"M+K+CF3COOH"	152.95602
"804735"	550.4175	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M"	0
"981547"	531.39911	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-H2O-H"	-19.01839
"76348"	365.937724	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M-3H"	-3.021828
"517734"	549.410224	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M-3H"	-3.021828
"893713"	182.465224	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-3H"	-3.021828
"6824"	549.410224	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M-2H"	-2.014552
"448569"	824.618974	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M-2H"	-2.014552
"829652"	274.201474	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-2H"	-2.014552
"92197"	1099.827724	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M-H"	-1.007276
"525926"	1650.245224	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M-H"	-1.007276
"905915"	549.410224	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-H"	-1.007276
"58106"	1116.854271	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M-2H+NH4"	16.019271
"498758"	1667.271771	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M-2H+NH4"	16.019271
"873281"	566.436771	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-2H+NH4"	16.019271
"43370"	1121.809666	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M-2H+Na"	20.974666
"484025"	1672.227166	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M-2H+Na"	20.974666
"856357"	571.392166	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-2H+Na"	20.974666
"1628080"	571.392166	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Na-2H"	20.974666
"108989"	567.398563	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M-H+Cl"	33.962126
"548548"	842.607313	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M-H+Cl"	33.962126
"942064"	292.189813	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-H+Cl"	33.962126
"277336"	1135.804402	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+Cl"	34.969402
"670856"	1686.221902	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+Cl"	34.969402
"1282161"	585.386902	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Cl"	34.969402
"27634"	1137.783606	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M-2H+K"	36.948606
"467557"	1688.201106	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M-2H+K"	36.948606
"842082"	587.366106	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-2H+K"	36.948606
"1564476"	587.366106	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+K-2H"	36.948606
"950170"	595.415694	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-H+HCOOH"	44.998194
"366200"	1145.833201	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+HCOOH-H"	44.998201
"356650"	1159.848851	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+Hac-H"	59.013851
"1497829"	609.431351	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Hac-H"	59.013851
"964276"	617.397651	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-H+NaCOOH"	66.980151
"118651"	585.386902	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+2Cl"	69.938804
"560398"	860.595652	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+2Cl"	69.938804
"1025548"	310.178152	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2Cl"	69.938804
"1243307"	629.336385	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Br"	78.918885
"1305024"	631.392372	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Cl+HCOOH"	80.974872
"1335417"	653.374329	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Cl+NaCOOH"	102.956829
"927045"	663.403086	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M-H+CF3COOH"	112.985586
"1303667"	699.379764	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Cl+CF3COOH"	148.962264
"1380855"	515.404824	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H-2H2O"	-35.012676
"1396528"	533.4148	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H-H2O"	-17.0027
"297309"	1101.842276	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+H"	1.007276
"686449"	1652.259776	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+H"	1.007276
"1364986"	551.424776	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H"	1.007276
"135685"	551.424776	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+2H"	2.014552
"581084"	826.633526	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+2H"	2.014552
"1052451"	276.216026	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2H"	2.014552
"217418"	367.952276	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+3H"	3.021828
"657345"	551.424776	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+3H"	3.021828
"1178373"	184.479776	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+3H"	3.021828
"438746"	1118.868823	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+NH4"	18.033823
"796093"	1669.286323	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+NH4"	18.033823
"1694609"	568.451323	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+NH4"	18.033823
"343986"	559.9380495	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+H+NH4"	19.041099
"735310"	835.1467995	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+H+NH4"	19.041099
"1490953"	284.7292995	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H+NH4"	19.041099
"406718"	1123.824218	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+Na"	22.989218
"766618"	1674.241718	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+Na"	22.989218
"1614717"	573.406718	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Na"	22.989218
"320381"	562.415747	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+H+Na"	23.996494
"714989"	837.624497	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+H+Na"	23.996494
"1472089"	287.206997	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H+Na"	23.996494
"1063146"	191.80709	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2H+Na"	25.00377
"1265918"	583.450986	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+CH3OH+H"	33.033486
"384494"	1139.798158	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+K"	38.963158
"746584"	1690.215658	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+K"	38.963158
"1548639"	589.380658	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+K"	38.963158
"311281"	570.402717	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+H+K"	39.970434
"703702"	845.611467	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+H+K"	39.970434
"1456430"	295.193967	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H+K"	39.970434
"243945"	1142.868826	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+ACN+H"	42.033826
"1219933"	592.451326	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+ACN+H"	42.033826
"1202723"	296.729301	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+ACN+2H"	43.041102
"199603"	1145.80616	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+2Na-H"	44.97116
"639531"	1696.22366	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+2Na-H"	44.97116
"1141941"	595.38866	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2Na-H"	44.97116
"183046"	573.406718	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+2Na"	45.978436
"623698"	848.615468	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+2Na"	45.978436
"1127932"	298.197968	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2Na"	45.978436
"1408539"	199.134404	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H+2Na"	46.985712
"1445579"	597.430246	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H+HCOOH"	47.012746
"235660"	578.43974	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+3H2O+2H"	56.04448
"1524060"	611.48229	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+IsoProp+H"	61.06479
"417750"	581.393688	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+Na+K"	61.952376
"776561"	856.602438	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+Na+K"	61.952376
"1672161"	306.184938	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Na+K"	61.952376
"258681"	1164.850768	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+ACN+Na"	64.015768
"1230295"	614.433268	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+ACN+Na"	64.015768
"1724650"	614.456793	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+NH4+HCOOH"	64.039293
"1182350"	206.461718	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+3Na"	68.967654
"1664271"	619.412188	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Na+HCOOH"	68.994688
"166761"	1177.75404	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+2K-H"	76.91904
"611667"	1728.17154	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+2K-H"	76.91904
"1098733"	627.33654	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2K-H"	76.91904
"156033"	589.380658	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"2M+2K"	77.926316
"590494"	864.589408	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"3M+2K"	77.926316
"1075004"	314.171908	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2K"	77.926316
"1108212"	629.351092	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2K+H"	78.933592
"1340224"	629.438707	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+DMSO+H"	79.021207
"1015314"	633.477876	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2ACN+H"	83.060376
"1535627"	634.471508	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+IsoProp+Na+H"	84.054008
"997702"	317.242576	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+2ACN+2H"	84.067652
"1587587"	635.386128	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+K+HCOOH"	84.968628
"1416771"	665.417638	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+H+CF3COOH"	115.000138
"1149244"	337.755851	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+3ACN+2H"	125.094202
"1697825"	682.444185	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+NH4+CF3COOH"	132.026685
"1634568"	687.39958	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+Na+CF3COOH"	136.98208
"1575569"	703.37352	"C15911"	"Hydroxychlorobactene"	"C40H54O"	"550.4175"	"M+K+CF3COOH"	152.95602
"809222"	712.4703	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M"	0
"979473"	693.45191	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-H2O-H"	-19.01839
"74279"	473.972924	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M-3H"	-3.021828
"515300"	711.463024	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M-3H"	-3.021828
"890550"	236.482824	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-3H"	-3.021828
"9124"	711.463024	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M-2H"	-2.014552
"447590"	1067.698174	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M-2H"	-2.014552
"824299"	355.227874	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-2H"	-2.014552
"84291"	1423.933324	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M-H"	-1.007276
"520570"	2136.403624	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M-H"	-1.007276
"899468"	711.463024	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-H"	-1.007276
"49467"	1440.959871	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M-2H+NH4"	16.019271
"489029"	2153.430171	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M-2H+NH4"	16.019271
"869017"	728.489571	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-2H+NH4"	16.019271
"35825"	1445.915266	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M-2H+Na"	20.974666
"474294"	2158.385566	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M-2H+Na"	20.974666
"858296"	733.444966	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-2H+Na"	20.974666
"1623818"	733.444966	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Na-2H"	20.974666
"101441"	729.451363	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M-H+Cl"	33.962126
"545378"	1085.686513	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M-H+Cl"	33.962126
"933423"	373.216213	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-H+Cl"	33.962126
"274530"	1459.910002	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+Cl"	34.969402
"668774"	2172.380302	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+Cl"	34.969402
"1278260"	747.439702	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Cl"	34.969402
"21185"	1461.889206	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M-2H+K"	36.948606
"462205"	2174.359506	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M-2H+K"	36.948606
"838916"	749.418906	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-2H+K"	36.948606
"1563498"	749.418906	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+K-2H"	36.948606
"951383"	757.468494	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-H+HCOOH"	44.998194
"370691"	1469.938801	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+HCOOH-H"	44.998201
"355668"	1483.954451	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+Hac-H"	59.013851
"1500126"	771.484151	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Hac-H"	59.013851
"967667"	779.450451	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-H+NaCOOH"	66.980151
"116578"	747.439702	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+2Cl"	69.938804
"552490"	1103.674852	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+2Cl"	69.938804
"1023479"	391.204552	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2Cl"	69.938804
"1254363"	791.389185	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Br"	78.918885
"1319794"	793.445172	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Cl+HCOOH"	80.974872
"1335454"	815.427129	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Cl+NaCOOH"	102.956829
"925368"	825.455886	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M-H+CF3COOH"	112.985586
"1299888"	861.432564	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Cl+CF3COOH"	148.962264
"1380236"	677.457624	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H-2H2O"	-35.012676
"1395546"	695.4676	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H-H2O"	-17.0027
"291954"	1425.947876	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+H"	1.007276
"688386"	2138.418176	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+H"	1.007276
"1358537"	713.477576	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H"	1.007276
"135801"	713.477576	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+2H"	2.014552
"580913"	1069.712726	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+2H"	2.014552
"1052716"	357.242426	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2H"	2.014552
"212063"	475.987476	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+3H"	3.021828
"652716"	713.477576	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+3H"	3.021828
"1173028"	238.497376	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+3H"	3.021828
"435207"	1442.974423	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+NH4"	18.033823
"794015"	2155.444723	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+NH4"	18.033823
"1686337"	730.504123	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+NH4"	18.033823
"337532"	721.9908495	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+H+NH4"	19.041099
"728863"	1078.2259995	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+H+NH4"	19.041099
"1479764"	365.7556995	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H+NH4"	19.041099
"395891"	1447.929818	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+Na"	22.989218
"755795"	2160.400118	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+Na"	22.989218
"1607175"	735.459518	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Na"	22.989218
"321583"	724.468547	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+H+Na"	23.996494
"714006"	1080.703697	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+H+Na"	23.996494
"1471105"	368.233397	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H+Na"	23.996494
"1061072"	245.82469	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2H+Na"	25.00377
"1264937"	745.503786	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+CH3OH+H"	33.033486
"383513"	1463.903758	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+K"	38.963158
"745600"	2176.374058	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+K"	38.963158
"1546560"	751.433458	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+K"	38.963158
"307020"	732.455517	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+H+K"	39.970434
"699443"	1088.690667	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+H+K"	39.970434
"1449985"	376.220367	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H+K"	39.970434
"239680"	1466.974426	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+ACN+H"	42.033826
"1216762"	754.504126	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+ACN+H"	42.033826
"1200649"	377.755701	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+ACN+2H"	43.041102
"194612"	1469.91176	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+2Na-H"	44.97116
"633081"	2182.38206	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+2Na-H"	44.97116
"1136584"	757.44146	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2Na-H"	44.97116
"178786"	735.459518	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+2Na"	45.978436
"620531"	1091.694668	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+2Na"	45.978436
"1121856"	379.224368	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2Na"	45.978436
"1408660"	253.152004	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H+2Na"	46.985712
"1440777"	759.483046	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H+HCOOH"	47.012746
"233394"	740.49254	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+3H2O+2H"	56.04448
"1511979"	773.53509	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+IsoProp+H"	61.06479
"413853"	743.446488	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+Na+K"	61.952376
"777035"	1099.681638	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+Na+K"	61.952376
"1676646"	387.211338	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Na+K"	61.952376
"260980"	1488.956368	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+ACN+Na"	64.015768
"1236969"	776.486068	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+ACN+Na"	64.015768
"1720387"	776.509593	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+NH4+HCOOH"	64.039293
"1185742"	260.479318	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+3Na"	68.967654
"1664018"	781.464988	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Na+HCOOH"	68.994688
"167964"	1501.85964	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+2K-H"	76.91904
"610442"	2214.32994	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+2K-H"	76.91904
"1092038"	789.38934	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2K-H"	76.91904
"144843"	751.433458	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"2M+2K"	77.926316
"584041"	1107.668608	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"3M+2K"	77.926316
"1072930"	395.198308	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2K"	77.926316
"1100912"	791.403892	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2K+H"	78.933592
"1336567"	791.491507	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+DMSO+H"	79.021207
"1008866"	795.530676	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2ACN+H"	83.060376
"1525166"	796.524308	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+IsoProp+Na+H"	84.054008
"992346"	398.268976	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+2ACN+2H"	84.067652
"1591222"	797.438928	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+K+HCOOH"	84.968628
"1415788"	827.470438	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+H+CF3COOH"	115.000138
"1152641"	418.782251	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+3ACN+2H"	125.094202
"1701098"	844.496985	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+NH4+CF3COOH"	132.026685
"1646593"	849.45238	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+Na+CF3COOH"	136.98208
"1577870"	865.42632	"C15914"	"Hydroxychlorobactene glucoside"	"C46H64O6"	"712.4703"	"M+K+CF3COOH"	152.95602
"808237"	414.3862	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M"	0
"980677"	395.36781	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-H2O-H"	-19.01839
"74389"	275.250190666667	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M-3H"	-3.021828
"515044"	413.378924	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M-3H"	-3.021828
"891753"	137.121457333333	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-3H"	-3.021828
"5954"	413.378924	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M-2H"	-2.014552
"447700"	620.572024	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M-2H"	-2.014552
"824409"	206.185824	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-2H"	-2.014552
"85495"	827.765124	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M-H"	-1.007276
"525054"	1242.151324	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M-H"	-1.007276
"900671"	413.378924	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-H"	-1.007276
"50670"	844.791671	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M-2H+NH4"	16.019271
"489139"	1259.177871	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M-2H+NH4"	16.019271
"869128"	430.405471	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-2H+NH4"	16.019271
"38122"	849.747066	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M-2H+Na"	20.974666
"476591"	1264.133266	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M-2H+Na"	20.974666
"861322"	435.360866	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-2H+Na"	20.974666
"1627209"	435.360866	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Na-2H"	20.974666
"103738"	431.367263	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M-H+Cl"	33.962126
"547310"	638.560363	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M-H+Cl"	33.962126
"940582"	224.174163	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-H+Cl"	33.962126
"277557"	863.741802	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+Cl"	34.969402
"670342"	1278.128002	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+Cl"	34.969402
"1282381"	449.355602	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Cl"	34.969402
"23848"	865.721006	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M-2H+K"	36.948606
"465596"	1280.107206	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M-2H+K"	36.948606
"841213"	451.334806	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-2H+K"	36.948606
"1564702"	451.334806	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+K-2H"	36.948606
"951494"	459.384394	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-H+HCOOH"	44.998194
"372260"	873.770601	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+HCOOH-H"	44.998201
"354321"	887.786251	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+Hac-H"	59.013851
"1499144"	473.400051	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Hac-H"	59.013851
"969236"	481.366351	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-H+NaCOOH"	66.980151
"111580"	449.355602	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+2Cl"	69.938804
"551866"	656.548702	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+2Cl"	69.938804
"1021879"	242.162502	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2Cl"	69.938804
"1244253"	493.305085	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Br"	78.918885
"1309262"	495.361072	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Cl+HCOOH"	80.974872
"1335152"	517.343029	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Cl+NaCOOH"	102.956829
"926452"	527.371786	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M-H+CF3COOH"	112.985586
"1301091"	563.348464	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Cl+CF3COOH"	148.962264
"1382332"	379.373524	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H-2H2O"	-35.012676
"1392376"	397.3835	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H-H2O"	-17.0027
"293157"	829.779676	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+H"	1.007276
"690319"	1244.165876	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+H"	1.007276
"1366302"	415.393476	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H"	1.007276
"135911"	415.393476	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+2H"	2.014552
"578753"	622.586576	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+2H"	2.014552
"1050832"	208.200376	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2H"	2.014552
"216547"	277.264742666667	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+3H"	3.021828
"655013"	415.393476	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+3H"	3.021828
"1176418"	139.136009333333	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+3H"	3.021828
"435317"	846.806223	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+NH4"	18.033823
"793033"	1261.192423	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+NH4"	18.033823
"1687176"	432.420023	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+NH4"	18.033823
"337642"	423.9067495	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+H+NH4"	19.041099
"726784"	631.0998495	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+H+NH4"	19.041099
"1482059"	216.7136495	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H+NH4"	19.041099
"398188"	851.761618	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+Na"	22.989218
"757728"	1266.147818	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+Na"	22.989218
"1609472"	437.375418	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Na"	22.989218
"320599"	426.384447	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+H+Na"	23.996494
"713021"	633.577547	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+H+Na"	23.996494
"1470124"	219.191347	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H+Na"	23.996494
"1063370"	146.463323333333	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2H+Na"	25.00377
"1272099"	447.419686	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+CH3OH+H"	33.033486
"383624"	867.735558	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+K"	38.963158
"745711"	1282.121758	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+K"	38.963158
"1549950"	453.349358	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+K"	38.963158
"304942"	434.371417	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+H+K"	39.970434
"701739"	641.564517	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+H+K"	39.970434
"1449001"	227.178317	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H+K"	39.970434
"243069"	870.806226	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+ACN+H"	42.033826
"1215779"	456.420026	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+ACN+H"	42.033826
"1200759"	228.713651	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+ACN+2H"	43.041102
"195813"	873.74356	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+2Na-H"	44.97116
"633555"	1288.12976	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+2Na-H"	44.97116
"1136692"	459.35736	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2Na-H"	44.97116
"178531"	437.375418	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+2Na"	45.978436
"619549"	644.568518	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+2Na"	45.978436
"1119778"	230.182318	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2Na"	45.978436
"1403302"	153.790637333333	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H+2Na"	46.985712
"1444167"	461.398946	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H+HCOOH"	47.012746
"233140"	442.40844	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+3H2O+2H"	56.04448
"1518649"	475.45099	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+IsoProp+H"	61.06479
"415054"	445.362388	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+Na+K"	61.952376
"774957"	652.555488	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+Na+K"	61.952376
"1675663"	238.169288	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Na+K"	61.952376
"258901"	892.788168	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+ACN+Na"	64.015768
"1236717"	478.401968	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+ACN+Na"	64.015768
"1720497"	478.425493	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+NH4+HCOOH"	64.039293
"1184758"	161.117951333333	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+3Na"	68.967654
"1660848"	483.380888	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Na+HCOOH"	68.994688
"166619"	905.69144	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+2K-H"	76.91904
"608730"	1320.07764	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+2K-H"	76.91904
"1092146"	491.30524	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2K-H"	76.91904
"145684"	453.349358	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"2M+2K"	77.926316
"585243"	660.542458	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"3M+2K"	77.926316
"1069759"	246.156258	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2K"	77.926316
"1102113"	493.319792	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2K+H"	78.933592
"1337163"	493.407407	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+DMSO+H"	79.021207
"1007882"	497.446576	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2ACN+H"	83.060376
"1526126"	498.440208	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+IsoProp+Na+H"	84.054008
"990633"	249.226926	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+2ACN+2H"	84.067652
"1591330"	499.354828	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+K+HCOOH"	84.968628
"1416987"	529.386338	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+H+CF3COOH"	115.000138
"1156031"	269.740201	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+3ACN+2H"	125.094202
"1701208"	546.412885	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+NH4+CF3COOH"	132.026685
"1643423"	551.36828	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+Na+CF3COOH"	136.98208
"1577980"	567.34222	"C15915"	"44-Dimethyl-5alpha-cholesta-8-en-3beta-ol"	"C29H50O"	"414.3862"	"M+K+CF3COOH"	152.95602
"816370"	584.4229	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M"	0
"987353"	565.40451	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-H2O-H"	-19.01839
"76688"	388.607990666667	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M-3H"	-3.021828
"518199"	583.415624	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M-3H"	-3.021828
"892959"	193.800357333333	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-3H"	-3.021828
"10442"	583.415624	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M-2H"	-2.014552
"448907"	875.627074	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M-2H"	-2.014552
"819055"	291.204174	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-2H"	-2.014552
"87792"	1167.838524	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M-H"	-1.007276
"522979"	1752.261424	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M-H"	-1.007276
"898594"	583.415624	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-H"	-1.007276
"55159"	1184.865071	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M-2H+NH4"	16.019271
"490345"	1769.287971	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M-2H+NH4"	16.019271
"873618"	600.442171	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-2H+NH4"	16.019271
"41518"	1189.820466	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M-2H+Na"	20.974666
"478891"	1774.243366	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M-2H+Na"	20.974666
"852317"	605.397566	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-2H+Na"	20.974666
"1622946"	605.397566	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Na-2H"	20.974666
"97652"	601.403963	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M-H+Cl"	33.962126
"540128"	893.615413	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M-H+Cl"	33.962126
"934737"	309.192513	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-H+Cl"	33.962126
"279863"	1203.815202	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+Cl"	34.969402
"673012"	1788.238102	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+Cl"	34.969402
"1282503"	619.392302	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Cl"	34.969402
"19591"	1205.794406	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M-2H+K"	36.948606
"466807"	1790.217306	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M-2H+K"	36.948606
"841329"	621.371506	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-2H+K"	36.948606
"1567002"	621.371506	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+K-2H"	36.948606
"951604"	629.421094	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-H+HCOOH"	44.998194
"373101"	1213.844001	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+HCOOH-H"	44.998201
"346414"	1227.859651	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+Hac-H"	59.013851
"1499257"	643.436751	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Hac-H"	59.013851
"963517"	651.403051	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-H+NaCOOH"	66.980151
"112057"	619.392302	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+2Cl"	69.938804
"562196"	911.603752	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+2Cl"	69.938804
"1022976"	327.180852	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2Cl"	69.938804
"1246928"	663.341785	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Br"	78.918885
"1315937"	665.397772	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Cl+HCOOH"	80.974872
"1326874"	687.379729	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Cl+NaCOOH"	102.956829
"922308"	697.408486	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M-H+CF3COOH"	112.985586
"1297922"	733.385164	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Cl+CF3COOH"	148.962264
"1379363"	549.410224	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H-2H2O"	-35.012676
"1391394"	567.4202	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H-H2O"	-17.0027
"283306"	1169.853076	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+H"	1.007276
"677307"	1754.275976	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+H"	1.007276
"1355479"	585.430176	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H"	1.007276
"128731"	585.430176	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+2H"	2.014552
"575582"	877.641626	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+2H"	2.014552
"1042558"	293.218726	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2H"	2.014552
"213376"	390.622542666667	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+3H"	3.021828
"656216"	585.430176	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+3H"	3.021828
"1168877"	195.814909333333	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+3H"	3.021828
"429595"	1186.879623	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+NH4"	18.033823
"787190"	1771.302523	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+NH4"	18.033823
"1683640"	602.456723	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+NH4"	18.033823
"333011"	593.9434495	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+H+NH4"	19.041099
"725069"	886.1548995	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+H+NH4"	19.041099
"1482899"	301.7319995	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H+NH4"	19.041099
"401580"	1191.835018	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+Na"	22.989218
"764762"	1776.257918	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+Na"	22.989218
"1610672"	607.412118	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Na"	22.989218
"322897"	596.421147	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+H+Na"	23.996494
"716411"	888.632597	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+H+Na"	23.996494
"1468048"	304.209697	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H+Na"	23.996494
"1062387"	203.142223333333	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2H+Na"	25.00377
"1264067"	617.456386	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+CH3OH+H"	33.033486
"383735"	1207.808958	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+K"	38.963158
"742544"	1792.231858	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+K"	38.963158
"1547880"	623.386058	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+K"	38.963158
"302873"	604.408117	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+H+K"	39.970434
"696392"	896.619567	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+H+K"	39.970434
"1449119"	312.196667	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H+K"	39.970434
"240996"	1210.879626	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+ACN+H"	42.033826
"1218077"	626.456726	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+ACN+H"	42.033826
"1199412"	313.732001	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+ACN+2H"	43.041102
"196290"	1213.81696	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+2Na-H"	44.97116
"636216"	1798.23986	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+2Na-H"	44.97116
"1142283"	629.39406	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2Na-H"	44.97116
"187770"	607.412118	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+2Na"	45.978436
"626228"	899.623568	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+2Na"	45.978436
"1119530"	315.200668	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2Na"	45.978436
"1406700"	210.469537333333	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H+2Na"	46.985712
"1437722"	631.435646	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H+HCOOH"	47.012746
"226323"	612.44514	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+3H2O+2H"	56.04448
"1514383"	645.48769	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+IsoProp+H"	61.06479
"416261"	615.399088	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+Na+K"	61.952376
"773975"	907.610538	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+Na+K"	61.952376
"1670303"	323.187638	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Na+K"	61.952376
"256824"	1232.861568	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+ACN+Na"	64.015768
"1233906"	648.438668	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+ACN+Na"	64.015768
"1718419"	648.462193	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+NH4+HCOOH"	64.039293
"1185960"	217.796851333333	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+3Na"	68.967654
"1656946"	653.417588	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Na+HCOOH"	68.994688
"162719"	1245.76484	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+2K-H"	76.91904
"601184"	1830.18774	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+2K-H"	76.91904
"1086793"	661.34194	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2K-H"	76.91904
"150171"	623.386058	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"2M+2K"	77.926316
"585357"	915.597508	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"3M+2K"	77.926316
"1070963"	331.174608	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2K"	77.926316
"1101133"	663.356492	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2K+H"	78.933592
"1337399"	663.444107	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+DMSO+H"	79.021207
"1007993"	667.483276	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2ACN+H"	83.060376
"1525144"	668.476908	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+IsoProp+Na+H"	84.054008
"991470"	334.245276	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+2ACN+2H"	84.067652
"1588643"	669.391528	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+K+HCOOH"	84.968628
"1421480"	699.423038	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+H+CF3COOH"	115.000138
"1151768"	354.758551	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+3ACN+2H"	125.094202
"1699495"	716.449585	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+NH4+CF3COOH"	132.026685
"1638067"	721.40498	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+Na+CF3COOH"	136.98208
"1571650"	737.37892	"C15919"	"Myxol"	"C40H56O3"	"584.4229"	"M+K+CF3COOH"	152.95602
"808466"	180.0634	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M"	0
"977623"	161.04501	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"74612"	119.034990666667	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"515266"	179.056124	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"883228"	59.0138573333333	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"5084"	179.056124	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"444645"	269.087824	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"832788"	89.024424	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"94239"	359.119524	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"531844"	539.182924	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"900897"	179.056124	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"51992"	376.146071	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"499936"	556.209471	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"871541"	196.082671	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"39442"	381.101466	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"479003"	561.164866	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"854616"	201.038066	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1627429"	201.038066	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"101777"	197.044463	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"540245"	287.076163	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"939229"	107.012763	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"279608"	395.096202	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"666928"	575.159602	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1279329"	215.032802	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"24071"	397.075406	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"460352"	577.138806	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"835603"	217.012006	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1559458"	217.012006	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"946248"	225.061594	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"367744"	405.125001	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"347616"	419.140651	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1498277"	239.077251	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"959013"	247.043551	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"111811"	215.032802	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"552464"	305.064502	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1025273"	125.001102	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1245945"	258.982285	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1313863"	261.038272	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1329173"	283.020229	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"912946"	293.048986	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1291476"	329.025664	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1368908"	145.050724	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1382997"	163.0607	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"285726"	361.134076	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"680332"	541.197476	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1358868"	181.070676	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"133943"	181.070676	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"572410"	271.102376	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1044492"	91.038976	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"208020"	121.049542666667	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"645758"	181.070676	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1165705"	61.0284093333333	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"427883"	378.160623	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"791428"	558.224023	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1684114"	198.097223	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"334944"	189.5839495	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"729553"	279.6156495	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1487385"	99.5522495	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"402782"	383.116018	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"767061"	563.179418	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1610783"	203.052618	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"323007"	192.061647	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"716522"	282.093347	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1471438"	102.029947	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1057393"	68.3557233333333	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1263082"	213.096886	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"377772"	399.089958	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"741571"	579.153358	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1541800"	219.026558	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"300068"	200.048617	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"693584"	290.080317	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1449228"	110.016917	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"238924"	402.160626	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1219288"	222.097226	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1209178"	111.552251	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"201880"	405.09796	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"642173"	585.16136	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1144221"	225.03456	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"186783"	203.052618	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"625977"	293.084318	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1125472"	113.020918	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1404624"	75.6830373333333	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1437102"	227.076146	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"226438"	208.08564	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1518874"	241.12819	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"417465"	211.039588	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"778459"	301.071288	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1673701"	121.007888	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"258030"	424.142568	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1232925"	244.079168	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1721815"	244.102693	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1183893"	83.0103513333333	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1654879"	249.058088	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"162834"	437.04584	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"601300"	617.10924	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1089092"	256.98244	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"142627"	219.026558	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"583281"	309.058258	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1069371"	128.994858	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1101605"	258.996992	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1336659"	259.084607	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1011390"	263.123776	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1529513"	264.117408	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"994868"	132.065526	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1591556"	265.032028	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1418311"	295.063538	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1151884"	152.578801	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1698880"	312.090085	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1635992"	317.04548	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1573831"	333.01942	"C15923"	"L-Gulose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"811857"	260.0297	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"982108"	241.01131	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"71442"	172.345857333333	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"515376"	259.022424	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"882244"	85.6692906666667	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"6288"	259.022424	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"448037"	389.037274	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"832786"	129.007574	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"94104"	519.052124	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"530862"	779.081824	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"903195"	259.022424	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"55383"	536.078671	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"499317"	796.108371	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"873838"	276.048971	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"38459"	541.034066	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"482393"	801.063766	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"855819"	281.004366	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1627539"	281.004366	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"101887"	277.010763	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"540355"	407.025613	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"940431"	146.995913	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"277896"	555.028802	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"669225"	815.058502	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1278345"	294.999102	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"24181"	557.008006	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"462648"	817.037706	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"835347"	296.978306	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1559568"	296.978306	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"944171"	305.027894	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"362387"	565.057601	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"347362"	579.073251	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1495107"	319.043551	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"959487"	327.009851	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"114837"	294.999102	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"552574"	425.013952	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1025383"	164.984252	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1247149"	338.948585	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1316890"	341.004572	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1329283"	362.986529	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"913785"	373.015286	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1290493"	408.991964	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1368654"	225.017024	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1383353"	243.027	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"284743"	521.066676	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"680442"	781.096376	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1356792"	261.036976	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"134053"	261.036976	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"573614"	391.051826	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1045696"	131.022126	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"206672"	174.360409333333	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"645867"	261.036976	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1165086"	87.6838426666667	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"428721"	538.093223	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"789714"	798.122923	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1683492"	278.063523	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"330678"	269.5502495	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"728204"	399.5650995	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1485308"	139.5353995	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"399247"	543.048618	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"764985"	803.078318	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1610892"	283.018918	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"322024"	272.027947	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"715537"	402.042797	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1471545"	142.013097	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054225"	95.0111566666667	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1258456"	293.063186	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"377276"	559.022558	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"741681"	819.052258	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1542274"	298.992858	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"300178"	280.014917	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"693331"	410.029767	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1448245"	150.000067	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"241219"	562.093226	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1215022"	302.063526	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1207666"	151.535401	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"201869"	565.03056	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"639731"	825.06026	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1144331"	305.00086	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"186528"	283.018918	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"625358"	413.033768	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1125582"	153.004068	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1403641"	102.338470666667	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1435025"	307.042446	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"226548"	288.05194	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1517891"	321.09449	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"416482"	291.005888	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"777476"	421.020738	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1673811"	160.991038	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"257047"	584.075168	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1234129"	324.045468	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1719739"	324.068993	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1185096"	109.665784666667	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1654989"	329.024388	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"164037"	596.97844	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"602503"	857.00814	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1089202"	336.94874	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"142737"	298.992858	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"583391"	429.007708	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1069239"	168.978008	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1100864"	338.963292	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1339687"	339.050907	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1012594"	343.090076	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1529625"	344.083708	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"997167"	172.048676	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1596041"	344.998328	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1419515"	375.029838	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1151995"	192.561951	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1700812"	392.056385	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1635373"	397.01178	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1575035"	412.98572	"C15924"	"L-Gulose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"811966"	605.0772	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M"	0
"988658"	586.05881	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-H2O-H"	-19.01839
"71554"	402.377524	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M-3H"	-3.021828
"513300"	604.069924	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M-3H"	-3.021828
"882354"	200.685124	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-3H"	-3.021828
"6398"	604.069924	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M-2H"	-2.014552
"448147"	906.608524	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M-2H"	-2.014552
"832151"	301.531324	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-2H"	-2.014552
"93926"	1209.147124	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M-H"	-1.007276
"528785"	1814.224324	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M-H"	-1.007276
"906584"	604.069924	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-H"	-1.007276
"55493"	1226.173671	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+NH4"	16.019271
"496146"	1831.250871	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+NH4"	16.019271
"873948"	621.096471	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-2H+NH4"	16.019271
"35654"	1231.129066	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+Na"	20.974666
"482503"	1836.206266	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+Na"	20.974666
"851921"	626.051866	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-2H+Na"	20.974666
"1628743"	626.051866	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Na-2H"	20.974666
"103090"	622.058263	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M-H+Cl"	33.962126
"543747"	924.596863	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M-H+Cl"	33.962126
"935075"	319.519663	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-H+Cl"	33.962126
"273633"	1245.123802	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+Cl"	34.969402
"669336"	1850.201002	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+Cl"	34.969402
"1282829"	640.046602	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Cl"	34.969402
"23200"	1247.103006	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M-2H+K"	36.948606
"462758"	1852.180206	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M-2H+K"	36.948606
"836190"	642.025806	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-2H+K"	36.948606
"1560773"	642.025806	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+K-2H"	36.948606
"945376"	650.075394	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-H+HCOOH"	44.998194
"364685"	1255.152601	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+HCOOH-H"	44.998201
"349662"	1269.168251	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+Hac-H"	59.013851
"1496310"	664.091051	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Hac-H"	59.013851
"966039"	672.057351	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-H+NaCOOH"	66.980151
"110406"	640.046602	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+2Cl"	69.938804
"554507"	942.585202	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+2Cl"	69.938804
"1029867"	337.508002	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2Cl"	69.938804
"1246163"	683.996085	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Br"	78.918885
"1316270"	686.052072	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+HCOOH"	80.974872
"1330486"	708.034029	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+NaCOOH"	102.956829
"916082"	718.062786	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M-H+CF3COOH"	112.985586
"1294976"	754.039464	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Cl+CF3COOH"	148.962264
"1370951"	570.064524	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H-2H2O"	-35.012676
"1383097"	588.0745	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H-H2O"	-17.0027
"285946"	1211.161676	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+H"	1.007276
"678366"	1816.238876	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+H"	1.007276
"1356901"	606.084476	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H"	1.007276
"131976"	606.084476	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+2H"	2.014552
"574817"	908.623076	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+2H"	2.014552
"1046899"	303.545876	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2H"	2.014552
"212613"	404.392076	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+3H"	3.021828
"647435"	606.084476	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+3H"	3.021828
"1166290"	202.699676	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+3H"	3.021828
"426645"	1228.188223	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+NH4"	18.033823
"789097"	1833.265423	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+NH4"	18.033823
"1682874"	623.111023	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+NH4"	18.033823
"334799"	614.5977495	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+H+NH4"	19.041099
"730137"	917.1363495	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+H+NH4"	19.041099
"1489428"	312.0591495	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H+NH4"	19.041099
"404097"	1233.143618	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+Na"	22.989218
"768743"	1838.220818	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+Na"	22.989218
"1612097"	628.066418	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Na"	22.989218
"324320"	617.075447	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+H+Na"	23.996494
"712367"	919.614047	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+H+Na"	23.996494
"1470561"	314.536847	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H+Na"	23.996494
"1059436"	210.02699	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2H+Na"	25.00377
"1261118"	638.110686	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+CH3OH+H"	33.033486
"378964"	1249.117558	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+K"	38.963158
"738577"	1854.194758	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+K"	38.963158
"1539962"	644.040358	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+K"	38.963158
"298576"	625.062417	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+H+K"	39.970434
"693438"	927.601017	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+H+K"	39.970434
"1447262"	322.523817	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H+K"	39.970434
"238047"	1252.188226	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+H"	42.033826
"1212947"	647.111026	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+H"	42.033826
"1208749"	324.059151	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+2H"	43.041102
"202833"	1255.12556	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na-H"	44.97116
"641664"	1860.20276	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na-H"	44.97116
"1145418"	650.04836	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2Na-H"	44.97116
"187128"	628.066418	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+2Na"	45.978436
"626807"	930.605018	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+2Na"	45.978436
"1125692"	325.527818	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2Na"	45.978436
"1403751"	217.354304	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H+2Na"	46.985712
"1436958"	652.089946	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H+HCOOH"	47.012746
"231761"	633.09944	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+3H2O+2H"	56.04448
"1518001"	666.14199	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+H"	61.06479
"416592"	636.053388	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+Na+K"	61.952376
"777586"	938.591988	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+Na+K"	61.952376
"1675015"	333.514788	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Na+K"	61.952376
"259343"	1274.170168	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+ACN+Na"	64.015768
"1233146"	669.092968	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+ACN+Na"	64.015768
"1717662"	669.116493	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+HCOOH"	64.039293
"1183021"	224.681618	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+3Na"	68.967654
"1655099"	674.071888	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Na+HCOOH"	68.994688
"163054"	1287.07344	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+2K-H"	76.91904
"599333"	1892.15064	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+2K-H"	76.91904
"1089314"	681.99624	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2K-H"	76.91904
"143942"	644.040358	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"2M+2K"	77.926316
"581919"	946.578958	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"3M+2K"	77.926316
"1069470"	341.501758	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2K"	77.926316
"1103404"	684.010792	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2K+H"	78.933592
"1339797"	684.098407	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+DMSO+H"	79.021207
"1013797"	688.137576	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+H"	83.060376
"1528640"	689.131208	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+IsoProp+Na+H"	84.054008
"992900"	344.572426	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+2ACN+2H"	84.067652
"1592871"	690.045828	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+K+HCOOH"	84.968628
"1415248"	720.077338	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+H+CF3COOH"	115.000138
"1152105"	365.085701	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+3ACN+2H"	125.094202
"1698735"	737.103885	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+NH4+CF3COOH"	132.026685
"1635115"	742.05928	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+Na+CF3COOH"	136.98208
"1575145"	758.03322	"C15925"	"GDP-L-gulose"	"C16H25N5O16P2"	"605.0772"	"M+K+CF3COOH"	152.95602
"814263"	260.0297	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"987797"	241.01131	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"77131"	172.345857333333	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"515597"	259.022424	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"882464"	85.6692906666667	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"6508"	259.022424	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"446070"	389.037274	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"826060"	129.007574	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"92495"	519.052124	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"529988"	779.081824	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"905601"	259.022424	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"58883"	536.078671	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"493340"	796.108371	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"874058"	276.048971	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"36128"	541.034066	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"474229"	801.063766	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"853853"	281.004366	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1624479"	281.004366	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"102107"	277.010763	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"542764"	407.025613	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"935186"	146.995913	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"272650"	555.028802	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"670539"	815.058502	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1279662"	294.999102	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"21123"	557.008006	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"459589"	817.037706	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"834475"	296.978306	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1565256"	296.978306	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"944391"	305.027894	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"362607"	565.057601	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"349772"	579.073251	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1495689"	319.043551	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"963233"	327.009851	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"117242"	294.999102	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"557896"	425.013952	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1024510"	164.984252	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1245180"	338.948585	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1316380"	341.004572	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1329503"	362.986529	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"916192"	373.015286	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1291806"	408.991964	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1373248"	225.017024	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1383129"	243.027	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"288243"	521.066676	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"679933"	781.096376	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1357012"	261.036976	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"132086"	261.036976	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"572740"	391.051826	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1045186"	131.022126	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"214180"	174.360409333333	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"647910"	261.036976	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1166400"	87.6838426666667	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"426145"	538.093223	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"790301"	798.122923	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1683352"	278.063523	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"334911"	269.5502495	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"731707"	399.5650995	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1486621"	139.5353995	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"403114"	543.048618	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"765205"	803.078318	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1610020"	283.018918	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"323338"	272.027947	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"712477"	402.042797	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1471766"	142.013097	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1060638"	95.0111566666667	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1262322"	293.063186	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"379074"	559.022558	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"740434"	819.052258	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1541027"	298.992858	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"299055"	280.014917	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"693546"	410.029767	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1447372"	150.000067	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"239251"	562.093226	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1214150"	302.063526	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1209347"	151.535401	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"201121"	565.03056	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"639952"	825.06026	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1142728"	305.00086	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"186384"	283.018918	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"627039"	413.033768	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1125802"	153.004068	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1409324"	102.338470666667	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1434153"	307.042446	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"226033"	288.05194	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1518111"	321.09449	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"416702"	291.005888	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"777696"	421.020738	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1677677"	160.991038	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"256538"	584.075168	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1232163"	324.045468	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1717772"	324.068993	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1184223"	109.665784666667	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1652293"	329.024388	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"159884"	596.97844	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"599442"	857.00814	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1090517"	336.94874	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"145145"	298.992858	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"583610"	429.007708	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1069214"	168.978008	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1103514"	338.963292	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1342094"	339.050907	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1013907"	343.090076	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1530937"	344.083708	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"993010"	172.048676	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1595168"	344.998328	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1419733"	375.029838	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1149291"	192.561951	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1698601"	392.056385	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1634862"	397.01178	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1575255"	412.98572	"C15926"	"beta-L-Galactose 1-phosphate;L-Galactose 1-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"812186"	891.3875	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M"	0
"987906"	872.36911	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-H2O-H"	-19.01839
"76148"	593.251057333333	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M-3H"	-3.021828
"515707"	890.380224	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M-3H"	-3.021828
"882574"	296.121890666667	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-3H"	-3.021828
"6618"	890.380224	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M-2H"	-2.014552
"445087"	1336.073974	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M-2H"	-2.014552
"823984"	444.686474	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-2H"	-2.014552
"89444"	1781.767724	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M-H"	-1.007276
"527911"	2673.155224	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M-H"	-1.007276
"900608"	890.380224	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-H"	-1.007276
"53161"	1798.794271	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M-2H+NH4"	16.019271
"492356"	2690.181771	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M-2H+NH4"	16.019271
"871252"	907.406771	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-2H+NH4"	16.019271
"36967"	1803.749666	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M-2H+Na"	20.974666
"475068"	2695.137166	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M-2H+Na"	20.974666
"849951"	912.362166	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-2H+Na"	20.974666
"1624588"	912.362166	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Na-2H"	20.974666
"103310"	908.368563	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M-H+Cl"	33.962126
"543969"	1354.062313	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M-H+Cl"	33.962126
"938576"	462.674813	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-H+Cl"	33.962126
"272760"	1817.744402	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+Cl"	34.969402
"668462"	2709.131902	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+Cl"	34.969402
"1276492"	926.356902	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Cl"	34.969402
"22326"	1819.723606	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M-2H+K"	36.948606
"460792"	2711.111106	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M-2H+K"	36.948606
"834221"	928.336106	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-2H+K"	36.948606
"1565366"	928.336106	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+K-2H"	36.948606
"947780"	936.385694	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-H+HCOOH"	44.998194
"362717"	1827.773201	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+HCOOH-H"	44.998201
"347695"	1841.788851	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+Hac-H"	59.013851
"1495798"	950.401351	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Hac-H"	59.013851
"964072"	958.367651	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-H+NaCOOH"	66.980151
"115165"	926.356902	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+2Cl"	69.938804
"559098"	1372.050652	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+2Cl"	69.938804
"1027898"	480.663152	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2Cl"	69.938804
"1245292"	970.306385	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Br"	78.918885
"1311022"	972.362372	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Cl+HCOOH"	80.974872
"1328519"	994.344329	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Cl+NaCOOH"	102.956829
"916302"	1004.373086	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M-H+CF3COOH"	112.985586
"1291916"	1040.349764	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Cl+CF3COOH"	148.962264
"1373358"	856.374824	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H-2H2O"	-35.012676
"1384291"	874.3848	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H-H2O"	-17.0027
"285436"	1783.782276	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+H"	1.007276
"680772"	2675.169776	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+H"	1.007276
"1353840"	892.394776	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H"	1.007276
"132197"	892.394776	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+2H"	2.014552
"575036"	1338.088526	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+2H"	2.014552
"1043838"	446.701026	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2H"	2.014552
"213926"	595.265609333333	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+3H"	3.021828
"645467"	892.394776	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+3H"	3.021828
"1165052"	298.136442666667	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+3H"	3.021828
"425526"	1800.808823	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+NH4"	18.033823
"789684"	2692.196323	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+NH4"	18.033823
"1686014"	909.421323	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+NH4"	18.033823
"336115"	900.9080495	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+H+NH4"	19.041099
"730724"	1346.6017995	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+H+NH4"	19.041099
"1485637"	455.2142995	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H+NH4"	19.041099
"402131"	1805.764218	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+Na"	22.989218
"765315"	2697.151718	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+Na"	22.989218
"1610130"	914.376718	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Na"	22.989218
"323448"	903.385747	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+H+Na"	23.996494
"712951"	1349.079497	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+H+Na"	23.996494
"1468597"	457.691997	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H+Na"	23.996494
"1059656"	305.463756666667	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2H+Na"	25.00377
"1263526"	924.420986	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+CH3OH+H"	33.033486
"379548"	1821.738158	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+K"	38.963158
"740547"	2713.125658	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+K"	38.963158
"1540897"	930.350658	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+K"	38.963158
"299411"	911.372717	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+H+K"	39.970434
"693656"	1357.066467	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+H+K"	39.970434
"1448571"	465.678967	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H+K"	39.970434
"238630"	1824.808826	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+ACN+H"	42.033826
"1215347"	933.421326	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+ACN+H"	42.033826
"1202521"	467.214301	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+ACN+2H"	43.041102
"199409"	1827.74616	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+2Na-H"	44.97116
"638240"	2719.13366	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+2Na-H"	44.97116
"1142838"	936.35866	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2Na-H"	44.97116
"186615"	914.376718	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+2Na"	45.978436
"626540"	1360.070468	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+2Na"	45.978436
"1125912"	468.682968	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2Na"	45.978436
"1408341"	312.791070666667	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H+2Na"	46.985712
"1436086"	938.400246	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H+HCOOH"	47.012746
"226871"	919.40974	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+3H2O+2H"	56.04448
"1518221"	952.45229	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+IsoProp+H"	61.06479
"415719"	922.363688	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+Na+K"	61.952376
"776713"	1368.057438	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+Na+K"	61.952376
"1676329"	476.669938	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Na+K"	61.952376
"256284"	1846.790768	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+ACN+Na"	64.015768
"1231179"	955.403268	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+ACN+Na"	64.015768
"1720068"	955.426793	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+NH4+HCOOH"	64.039293
"1182146"	320.118384666667	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+3Na"	68.967654
"1655317"	960.382188	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Na+HCOOH"	68.994688
"163266"	1859.69404	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+2K-H"	76.91904
"599552"	2751.08154	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+2K-H"	76.91904
"1089534"	968.30654	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2K-H"	76.91904
"144161"	930.350658	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"2M+2K"	77.926316
"581897"	1376.044408	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"3M+2K"	77.926316
"1068758"	484.656908	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2K"	77.926316
"1103624"	970.321092	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2K+H"	78.933592
"1342204"	970.408707	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+DMSO+H"	79.021207
"1014017"	974.447876	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2ACN+H"	83.060376
"1531047"	975.441508	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+IsoProp+Na+H"	84.054008
"993120"	487.727576	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+2ACN+2H"	84.067652
"1598558"	976.356128	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+K+HCOOH"	84.968628
"1418750"	1006.387638	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+H+CF3COOH"	115.000138
"1149038"	508.240851	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+3ACN+2H"	125.094202
"1700049"	1023.414185	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+NH4+CF3COOH"	132.026685
"1636065"	1028.36958	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+Na+CF3COOH"	136.98208
"1575365"	1044.34352	"C15927"	"Leucokinin I"	"C41H53N11O12"	"891.3875"	"M+K+CF3COOH"	152.95602
"812296"	598.4022	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M"	0
"988016"	579.38381	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-H2O-H"	-19.01839
"76987"	397.927524	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M-3H"	-3.021828
"515817"	597.394924	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M-3H"	-3.021828
"882684"	198.460124	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-3H"	-3.021828
"6728"	597.394924	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M-2H"	-2.014552
"446290"	896.596024	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M-2H"	-2.014552
"824094"	298.193824	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-2H"	-2.014552
"88461"	1195.797124	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M-H"	-1.007276
"528021"	1794.199324	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M-H"	-1.007276
"900718"	597.394924	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-H"	-1.007276
"54000"	1212.823671	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M-2H+NH4"	16.019271
"489186"	1811.225871	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M-2H+NH4"	16.019271
"867718"	614.421471	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-2H+NH4"	16.019271
"36713"	1217.779066	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M-2H+Na"	20.974666
"474206"	1816.181266	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M-2H+Na"	20.974666
"850061"	619.376866	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-2H+Na"	20.974666
"1622512"	619.376866	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Na-2H"	20.974666
"103420"	615.383263	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M-H+Cl"	33.962126
"544079"	914.584363	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M-H+Cl"	33.962126
"938686"	316.182163	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-H+Cl"	33.962126
"276150"	1231.773802	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+Cl"	34.969402
"669665"	1830.176002	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+Cl"	34.969402
"1279882"	633.371602	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Cl"	34.969402
"18066"	1233.753006	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M-2H+K"	36.948606
"461996"	1832.155206	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M-2H+K"	36.948606
"836518"	635.350806	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-2H+K"	36.948606
"1567663"	635.350806	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+K-2H"	36.948606
"947890"	643.400394	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-H+HCOOH"	44.998194
"367200"	1241.802601	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+HCOOH-H"	44.998201
"348898"	1255.818251	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+Hac-H"	59.013851
"1494814"	657.416051	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Hac-H"	59.013851
"961263"	665.382351	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-H+NaCOOH"	66.980151
"117462"	633.371602	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+2Cl"	69.938804
"557021"	932.572702	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+2Cl"	69.938804
"1026185"	334.170502	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2Cl"	69.938804
"1243943"	677.321085	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Br"	78.918885
"1309309"	679.377072	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Cl+HCOOH"	80.974872
"1325347"	701.359029	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Cl+NaCOOH"	102.956829
"914589"	711.387786	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M-H+CF3COOH"	112.985586
"1292023"	747.364464	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Cl+CF3COOH"	148.962264
"1369458"	563.389524	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H-2H2O"	-35.012676
"1384035"	581.3995	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H-H2O"	-17.0027
"285180"	1197.811676	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+H"	1.007276
"677966"	1796.213876	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+H"	1.007276
"1355405"	599.409476	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H"	1.007276
"128661"	599.409476	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+2H"	2.014552
"570044"	898.610576	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+2H"	2.014552
"1039206"	300.208376	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2H"	2.014552
"211849"	399.942076	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+3H"	3.021828
"644483"	599.409476	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+3H"	3.021828
"1163335"	200.474676	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+3H"	3.021828
"425270"	1214.838223	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+NH4"	18.033823
"786873"	1813.240423	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+NH4"	18.033823
"1682353"	616.436023	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+NH4"	18.033823
"331484"	607.9227495	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+H+NH4"	19.041099
"728646"	907.1238495	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+H+NH4"	19.041099
"1480642"	308.7216495	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H+NH4"	19.041099
"394217"	1219.793618	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+Na"	22.989218
"759958"	1818.195818	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+Na"	22.989218
"1604772"	621.391418	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Na"	22.989218
"320278"	610.400447	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+H+Na"	23.996494
"712699"	909.601547	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+H+Na"	23.996494
"1466520"	311.199347	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H+Na"	23.996494
"1057578"	207.80199	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2H+Na"	25.00377
"1258407"	631.435686	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+CH3OH+H"	33.033486
"377134"	1235.767558	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+K"	38.963158
"739196"	1834.169758	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+K"	38.963158
"1540154"	637.365358	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+K"	38.963158
"299524"	618.387417	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+H+K"	39.970434
"692058"	917.588517	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+H+K"	39.970434
"1446370"	319.186317	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H+K"	39.970434
"237524"	1238.838226	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+ACN+H"	42.033826
"1210353"	640.436026	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+ACN+H"	42.033826
"1203724"	320.721651	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+ACN+2H"	43.041102
"200976"	1241.77556	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+2Na-H"	44.97116
"639443"	1840.17776	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+2Na-H"	44.97116
"1144041"	643.37336	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2Na-H"	44.97116
"181862"	621.391418	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+2Na"	45.978436
"625798"	920.592518	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+2Na"	45.978436
"1122742"	322.190318	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2Na"	45.978436
"1408451"	215.129304	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H+2Na"	46.985712
"1437286"	645.414946	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H+HCOOH"	47.012746
"225888"	626.42444	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+3H2O+2H"	56.04448
"1516144"	659.46699	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+IsoProp+H"	61.06479
"416922"	629.378388	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+Na+K"	61.952376
"776823"	928.579488	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+Na+K"	61.952376
"1675345"	330.177288	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Na+K"	61.952376
"256394"	1260.820168	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+ACN+Na"	64.015768
"1230194"	662.417968	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+ACN+Na"	64.015768
"1720178"	662.441493	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+NH4+HCOOH"	64.039293
"1184442"	222.456618	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+3Na"	68.967654
"1658707"	667.396888	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Na+HCOOH"	68.994688
"160097"	1273.72344	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+2K-H"	76.91904
"600757"	1872.12564	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+2K-H"	76.91904
"1089644"	675.32124	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2K-H"	76.91904
"143178"	637.365358	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"2M+2K"	77.926316
"581636"	936.566458	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"3M+2K"	77.926316
"1069312"	338.164258	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2K"	77.926316
"1100815"	677.335792	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2K+H"	78.933592
"1343407"	677.423407	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+DMSO+H"	79.021207
"1014127"	681.462576	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2ACN+H"	83.060376
"1533343"	682.456208	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+IsoProp+Na+H"	84.054008
"994323"	341.234926	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+2ACN+2H"	84.067652
"1597575"	683.370828	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+K+HCOOH"	84.968628
"1418860"	713.402338	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+H+CF3COOH"	115.000138
"1150241"	361.748201	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+3ACN+2H"	125.094202
"1699795"	730.428885	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+NH4+CF3COOH"	132.026685
"1635811"	735.38428	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+Na+CF3COOH"	136.98208
"1575475"	751.35822	"C15928"	"4-Ketomyxol"	"C40H54O4"	"598.4022"	"M+K+CF3COOH"	152.95602
"809124"	196.0583	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M"	0
"982657"	177.03991	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H2O-H"	-19.01839
"68712"	129.698257333333	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-3H"	-3.021828
"510462"	195.051024	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-3H"	-3.021828
"889360"	64.3454906666667	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-3H"	-3.021828
"6839"	195.051024	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H"	-2.014552
"447495"	293.080174	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H"	-2.014552
"826390"	97.021874	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H"	-2.014552
"83101"	391.109324	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-H"	-1.007276
"528129"	587.167624	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-H"	-1.007276
"907028"	195.051024	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H"	-1.007276
"57029"	408.135871	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H+NH4"	16.019271
"493308"	604.194171	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H+NH4"	16.019271
"866491"	212.077571	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H+NH4"	16.019271
"35728"	413.091266	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H+Na"	20.974666
"473952"	609.149566	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H+Na"	20.974666
"852361"	217.032966	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H+Na"	20.974666
"1620070"	217.032966	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na-2H"	20.974666
"107907"	213.039363	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-H+Cl"	33.962126
"549289"	311.068513	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-H+Cl"	33.962126
"934420"	115.010213	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+Cl"	33.962126
"276260"	427.086002	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Cl"	34.969402
"673055"	623.144302	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+Cl"	34.969402
"1282177"	231.027702	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl"	34.969402
"24734"	429.065206	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M-2H+K"	36.948606
"461012"	625.123506	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M-2H+K"	36.948606
"834441"	233.006906	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-2H+K"	36.948606
"1561212"	233.006906	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K-2H"	36.948606
"948001"	241.056494	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+HCOOH"	44.998194
"369497"	437.114801	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+HCOOH-H"	44.998201
"349373"	451.130451	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Hac-H"	59.013851
"1496018"	255.072151	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Hac-H"	59.013851
"961373"	263.038451	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+NaCOOH"	66.980151
"115020"	231.027702	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2Cl"	69.938804
"554945"	329.056852	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2Cl"	69.938804
"1025929"	132.998552	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2Cl"	69.938804
"1245874"	274.977185	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Br"	78.918885
"1309052"	277.033172	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl+HCOOH"	80.974872
"1327641"	299.015129	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl+NaCOOH"	102.956829
"920892"	309.043886	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M-H+CF3COOH"	112.985586
"1292500"	345.020564	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Cl+CF3COOH"	148.962264
"1369205"	161.045624	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H-2H2O"	-35.012676
"1385969"	179.0556	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H-H2O"	-17.0027
"287841"	393.123876	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H"	1.007276
"680263"	589.182176	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H"	1.007276
"1354424"	197.065576	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H"	1.007276
"129499"	197.065576	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2H"	2.014552
"568698"	295.094726	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2H"	2.014552
"1041871"	99.036426	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2H"	2.014552
"207590"	131.712809333333	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+3H"	3.021828
"646419"	197.065576	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+3H"	3.021828
"1164544"	66.3600426666667	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+3H"	3.021828
"425991"	410.150423	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+NH4"	18.033823
"789537"	606.208723	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+NH4"	18.033823
"1686964"	214.092123	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+NH4"	18.033823
"337428"	205.5788495	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H+NH4"	19.041099
"729851"	303.6079995	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H+NH4"	19.041099
"1485860"	107.5496995	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+NH4"	19.041099
"402350"	415.105818	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Na"	22.989218
"758240"	611.164118	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+Na"	22.989218
"1612538"	219.047518	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na"	22.989218
"322574"	208.056547	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H+Na"	23.996494
"716088"	306.085697	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H+Na"	23.996494
"1467723"	110.027397	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+Na"	23.996494
"1054777"	73.6873566666667	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2H+Na"	25.00377
"1257668"	229.091786	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+CH3OH+H"	33.033486
"377709"	431.079758	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+K"	38.963158
"740769"	627.138058	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+K"	38.963158
"1541126"	235.021458	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K"	38.963158
"301823"	216.043517	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+H+K"	39.970434
"694608"	314.072667	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+H+K"	39.970434
"1448792"	118.014367	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+K"	39.970434
"239214"	434.150426	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+H"	42.033826
"1222143"	238.092126	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+ACN+H"	42.033826
"1208215"	119.549701	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+ACN+2H"	43.041102
"202178"	437.08776	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2Na-H"	44.97116
"643808"	633.14606	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2Na-H"	44.97116
"1144153"	241.02946	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2Na-H"	44.97116
"181973"	219.047518	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2Na"	45.978436
"622627"	317.076668	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2Na"	45.978436
"1121025"	121.018368	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2Na"	45.978436
"1405282"	81.0146706666667	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+2Na"	46.985712
"1438496"	243.071046	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+HCOOH"	47.012746
"224910"	224.08054	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+3H2O+2H"	56.04448
"1517347"	257.12309	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+H"	61.06479
"419222"	227.034488	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+Na+K"	61.952376
"776941"	325.063638	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+Na+K"	61.952376
"1674360"	129.005338	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na+K"	61.952376
"254318"	456.132368	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+ACN+Na"	64.015768
"1233593"	260.074068	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+ACN+Na"	64.015768
"1721387"	260.097593	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+NH4+HCOOH"	64.039293
"1188925"	88.3419846666667	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+3Na"	68.967654
"1656630"	265.052988	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na+HCOOH"	68.994688
"165681"	469.03564	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2K-H"	76.91904
"604149"	665.09394	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2K-H"	76.91904
"1090846"	272.97734	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2K-H"	76.91904
"143289"	235.021458	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"2M+2K"	77.926316
"581703"	333.050608	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"3M+2K"	77.926316
"1070154"	136.992308	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2K"	77.926316
"1107137"	274.991892	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2K+H"	78.933592
"1345709"	275.079507	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+DMSO+H"	79.021207
"1013145"	279.118676	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+H"	83.060376
"1531268"	280.112308	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+IsoProp+Na+H"	84.054008
"996623"	140.062976	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+2ACN+2H"	84.067652
"1590031"	281.026928	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K+HCOOH"	84.968628
"1417878"	311.058438	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+H+CF3COOH"	115.000138
"1153639"	160.576251	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+3ACN+2H"	125.094202
"1698083"	328.084985	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+NH4+CF3COOH"	132.026685
"1638842"	333.04038	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+Na+CF3COOH"	136.98208
"1573399"	349.01432	"C15930"	"L-Galactonate;L-Galactonic acid"	"C6H12O7"	"196.0583"	"M+K+CF3COOH"	152.95602
"801781"	600.4179	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M"	0
"974212"	581.39951	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"74295"	399.271324	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"514949"	599.410624	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"884003"	199.132024	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"6953"	599.410624	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"447607"	899.619574	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"827595"	299.201674	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"84306"	1199.828524	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"528244"	1800.246424	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"901671"	599.410624	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"51670"	1216.855071	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"488311"	1817.272971	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"867209"	616.437171	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"34015"	1221.810466	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"472483"	1822.228366	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"852839"	621.392566	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1618514"	621.392566	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"94395"	617.398963	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"547213"	917.607913	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"936719"	317.190013	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"274183"	1235.805202	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"665511"	1836.223102	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1280099"	635.387302	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"18646"	1237.784406	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"457235"	1838.202306	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"832859"	637.366506	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1562415"	637.366506	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"948110"	645.416094	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"365233"	1245.834001	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"348390"	1259.849651	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1498315"	659.431751	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"961485"	667.398051	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"112943"	635.387302	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"552504"	935.596252	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1023854"	335.178352	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1247807"	679.336785	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1308070"	681.392772	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1325568"	703.374729	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"912377"	713.403486	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1289572"	749.380164	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1367856"	565.405224	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1385715"	583.4152	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"285399"	1201.843076	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"676728"	1802.260976	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1353440"	601.425176	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"126206"	601.425176	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"566620"	901.634126	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1039435"	301.216226	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"206363"	401.285876	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"644421"	601.425176	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1163032"	201.146576	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"425008"	1218.869623	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"789284"	1819.287523	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1687074"	618.451723	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"335353"	609.9384495	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"732146"	910.1473995	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1487061"	309.7294995	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"403555"	1223.825018	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"763459"	1824.242918	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1611555"	623.407118	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"315394"	612.416147	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"710001"	912.625097	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1461639"	312.207197	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1053427"	208.47389	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1258032"	633.451386	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"377454"	1239.798958	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"747812"	1840.216858	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1544397"	639.381058	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"300112"	620.403117	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"692166"	920.612067	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1447810"	320.194167	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"249914"	1242.869626	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1222259"	642.451726	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1205046"	321.729501	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"201198"	1245.80696	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"638571"	1846.22486	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1142075"	645.38906	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"184271"	623.407118	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"622738"	923.616068	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1121870"	323.198168	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1403208"	215.801204	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1440794"	647.430646	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"231584"	628.44014	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1519651"	661.48269	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"418243"	631.394088	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"778144"	931.603038	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1674473"	331.185138	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"255164"	1264.851568	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1230421"	664.433668	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1721495"	664.457193	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1180288"	223.128518	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1651273"	669.412588	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"159229"	1277.75484	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"605352"	1878.17274	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1087676"	677.33694	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"142305"	639.381058	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"583319"	939.590008	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1075130"	339.172108	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1108338"	679.351492	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1343630"	679.439107	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1016534"	683.478276	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1531378"	684.471908	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"995639"	342.242776	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1592326"	685.386528	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1417992"	715.418038	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1152657"	362.756051	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1700020"	732.444585	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1638952"	737.39998	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1573509"	753.37392	"C15932"	"4-Hydroxymyxol"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"802784"	568.428	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M"	0
"976316"	549.40961	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-H2O-H"	-19.01839
"74405"	377.944724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M-3H"	-3.021828
"512872"	567.420724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M-3H"	-3.021828
"884113"	188.468724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-3H"	-3.021828
"7063"	567.420724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M-2H"	-2.014552
"447717"	851.634724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M-2H"	-2.014552
"826612"	283.206724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-2H"	-2.014552
"84416"	1135.848724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M-H"	-1.007276
"527261"	1704.276724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M-H"	-1.007276
"900688"	567.420724	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-H"	-1.007276
"48864"	1152.875271	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M-2H+NH4"	16.019271
"489880"	1721.303271	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M-2H+NH4"	16.019271
"865859"	584.447271	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-2H+NH4"	16.019271
"34486"	1157.830666	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M-2H+Na"	20.974666
"472955"	1726.258666	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M-2H+Na"	20.974666
"849054"	589.402666	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-2H+Na"	20.974666
"1619440"	589.402666	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Na-2H"	20.974666
"94994"	585.409063	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M-H+Cl"	33.962126
"544405"	869.623063	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M-H+Cl"	33.962126
"937923"	301.195063	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-H+Cl"	33.962126
"273200"	1171.825402	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+Cl"	34.969402
"663435"	1740.253402	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+Cl"	34.969402
"1278023"	603.397402	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Cl"	34.969402
"18393"	1173.804606	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M-2H+K"	36.948606
"456495"	1742.232606	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M-2H+K"	36.948606
"833566"	605.376606	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-2H+K"	36.948606
"1562526"	605.376606	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+K-2H"	36.948606
"947128"	613.426194	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-H+HCOOH"	44.998194
"369717"	1181.854201	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+HCOOH-H"	44.998201
"350322"	1195.869851	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+Hac-H"	59.013851
"1500247"	627.441851	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Hac-H"	59.013851
"968883"	635.408151	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-H+NaCOOH"	66.980151
"111595"	603.397402	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+2Cl"	69.938804
"556256"	887.611402	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+2Cl"	69.938804
"1023963"	319.183402	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2Cl"	69.938804
"1243540"	647.346885	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Br"	78.918885
"1305263"	649.402872	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Cl+HCOOH"	80.974872
"1323491"	671.384829	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Cl+NaCOOH"	102.956829
"913826"	681.413586	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M-H+CF3COOH"	112.985586
"1291627"	717.390264	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Cl+CF3COOH"	148.962264
"1368209"	533.415324	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H-2H2O"	-35.012676
"1384003"	551.4253	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H-H2O"	-17.0027
"284416"	1137.863276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+H"	1.007276
"675987"	1706.291276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+H"	1.007276
"1352094"	569.435276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H"	1.007276
"125738"	569.435276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+2H"	2.014552
"566002"	853.649276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+2H"	2.014552
"1039911"	285.221276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2H"	2.014552
"207083"	379.959276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+3H"	3.021828
"645544"	569.435276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+3H"	3.021828
"1163669"	190.483276	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+3H"	3.021828
"424754"	1154.889823	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+NH4"	18.033823
"787571"	1723.317823	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+NH4"	18.033823
"1687186"	586.461823	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+NH4"	18.033823
"336555"	577.9485495	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+H+NH4"	19.041099
"731164"	862.1625495	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+H+NH4"	19.041099
"1486078"	293.7345495	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H+NH4"	19.041099
"402572"	1159.845218	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+Na"	22.989218
"762475"	1728.273218	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+Na"	22.989218
"1611663"	591.417218	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Na"	22.989218
"318421"	580.426247	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+H+Na"	23.996494
"710843"	864.640247	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+H+Na"	23.996494
"1461994"	296.212247	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H+Na"	23.996494
"1054268"	197.81059	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2H+Na"	25.00377
"1259236"	601.461486	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+CH3OH+H"	33.033486
"377127"	1175.819158	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+K"	38.963158
"744641"	1744.247158	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+K"	38.963158
"1547787"	607.391158	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+K"	38.963158
"303139"	588.413217	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+H+K"	39.970434
"693006"	872.627217	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+H+K"	39.970434
"1447920"	304.199217	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H+K"	39.970434
"245284"	1178.889826	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+ACN+H"	42.033826
"1225005"	610.461826	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+ACN+H"	42.033826
"1209166"	305.734551	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+ACN+2H"	43.041102
"195840"	1181.82716	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+2Na-H"	44.97116
"635399"	1750.25516	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+2Na-H"	44.97116
"1139996"	613.39916	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2Na-H"	44.97116
"184017"	591.417218	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+2Na"	45.978436
"615920"	875.631218	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+2Na"	45.978436
"1119791"	307.203218	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2Na"	45.978436
"1403318"	205.137904	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H+2Na"	46.985712
"1437258"	615.440746	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H+HCOOH"	47.012746
"228048"	596.45024	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+3H2O+2H"	56.04448
"1515745"	629.49279	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+IsoProp+H"	61.06479
"419447"	599.404188	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+Na+K"	61.952376
"776067"	883.618188	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+Na+K"	61.952376
"1672397"	315.190188	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Na+K"	61.952376
"256003"	1200.871768	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+ACN+Na"	64.015768
"1228344"	632.443768	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+ACN+Na"	64.015768
"1716138"	632.467293	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+NH4+HCOOH"	64.039293
"1183678"	212.465218	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+3Na"	68.967654
"1651747"	637.422688	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Na+HCOOH"	68.994688
"160431"	1213.77504	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+2K-H"	76.91904
"598898"	1782.20304	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+2K-H"	76.91904
"1089973"	645.34704	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2K-H"	76.91904
"143509"	607.391158	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"2M+2K"	77.926316
"583307"	891.605158	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"3M+2K"	77.926316
"1075240"	323.177158	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2K"	77.926316
"1108448"	647.361592	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2K+H"	78.933592
"1343740"	647.449207	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+DMSO+H"	79.021207
"1015551"	651.488376	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2ACN+H"	83.060376
"1533675"	652.482008	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+IsoProp+Na+H"	84.054008
"995020"	326.247826	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+2ACN+2H"	84.067652
"1592437"	653.396628	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+K+HCOOH"	84.968628
"1420289"	683.428138	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+H+CF3COOH"	115.000138
"1152767"	346.761101	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+3ACN+2H"	125.094202
"1699037"	700.454685	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+NH4+CF3COOH"	132.026685
"1641249"	705.41008	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+Na+CF3COOH"	136.98208
"1573619"	721.38402	"C15933"	"Deoxymyxol"	"C40H56O2"	"568.428"	"M+K+CF3COOH"	152.95602
"802893"	742.5172	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M"	0
"975082"	723.49881	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-H2O-H"	-19.01839
"74515"	494.004190666667	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M-3H"	-3.021828
"512982"	741.509924	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M-3H"	-3.021828
"884223"	246.498457333333	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-3H"	-3.021828
"7173"	741.509924	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M-2H"	-2.014552
"451107"	1112.768524	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M-2H"	-2.014552
"827815"	370.251324	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-2H"	-2.014552
"85619"	1484.027124	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M-H"	-1.007276
"526277"	2226.544324	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M-H"	-1.007276
"900068"	741.509924	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-H"	-1.007276
"48242"	1501.053671	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M-2H+NH4"	16.019271
"490719"	2243.570871	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M-2H+NH4"	16.019271
"867062"	758.536471	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-2H+NH4"	16.019271
"33504"	1506.009066	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M-2H+Na"	20.974666
"472090"	2248.526266	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M-2H+Na"	20.974666
"849245"	763.491866	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-2H+Na"	20.974666
"1618943"	763.491866	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Na-2H"	20.974666
"96197"	759.498263	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M-H+Cl"	33.962126
"535150"	1130.756863	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M-H+Cl"	33.962126
"938033"	388.239663	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-H+Cl"	33.962126
"273310"	1520.003802	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+Cl"	34.969402
"661358"	2262.521002	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+Cl"	34.969402
"1277039"	777.486602	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Cl"	34.969402
"16396"	1521.983006	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M-2H+K"	36.948606
"456156"	2264.500206	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M-2H+K"	36.948606
"833798"	779.465806	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-2H+K"	36.948606
"1560449"	779.465806	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+K-2H"	36.948606
"949423"	787.515394	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-H+HCOOH"	44.998194
"368733"	1530.032601	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+HCOOH-H"	44.998201
"347152"	1544.048251	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+Hac-H"	59.013851
"1498169"	801.531051	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Hac-H"	59.013851
"960244"	809.497351	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-H+NaCOOH"	66.980151
"110241"	777.486602	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+2Cl"	69.938804
"553086"	1148.745202	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+2Cl"	69.938804
"1024073"	406.228002	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2Cl"	69.938804
"1242553"	821.436085	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Br"	78.918885
"1308286"	823.492072	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Cl+HCOOH"	80.974872
"1320561"	845.474029	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Cl+NaCOOH"	102.956829
"913936"	855.502786	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M-H+CF3COOH"	112.985586
"1288814"	891.479464	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Cl+CF3COOH"	148.962264
"1367146"	707.504524	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H-2H2O"	-35.012676
"1383089"	725.5145	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H-H2O"	-17.0027
"283063"	1486.041676	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+H"	1.007276
"675932"	2228.558876	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+H"	1.007276
"1352681"	743.524476	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H"	1.007276
"126420"	743.524476	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+2H"	2.014552
"565985"	1114.783076	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+2H"	2.014552
"1038925"	372.265876	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2H"	2.014552
"206463"	496.018742666667	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+3H"	3.021828
"644559"	743.524476	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+3H"	3.021828
"1163531"	248.513009333333	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+3H"	3.021828
"424616"	1503.068223	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+NH4"	18.033823
"786950"	2245.585423	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+NH4"	18.033823
"1686201"	760.551023	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+NH4"	18.033823
"333019"	752.0377495	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+H+NH4"	19.041099
"726898"	1123.2963495	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+H+NH4"	19.041099
"1480719"	380.7791495	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H+NH4"	19.041099
"400493"	1508.023618	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+Na"	22.989218
"756020"	2250.540818	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+Na"	22.989218
"1611775"	765.506418	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Na"	22.989218
"317435"	754.515447	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+H+Na"	23.996494
"707913"	1125.774047	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+H+Na"	23.996494
"1461778"	383.256847	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H+Na"	23.996494
"1054744"	255.840323333333	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2H+Na"	25.00377
"1260439"	775.550686	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+CH3OH+H"	33.033486
"377509"	1523.997558	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+K"	38.963158
"743657"	2266.514758	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+K"	38.963158
"1547897"	781.480358	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+K"	38.963158
"304706"	762.502417	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+H+K"	39.970434
"692508"	1133.761017	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+H+K"	39.970434
"1448758"	391.243817	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H+K"	39.970434
"245392"	1527.068226	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+ACN+H"	42.033826
"1224547"	784.551026	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+ACN+H"	42.033826
"1208183"	392.779151	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+ACN+2H"	43.041102
"194856"	1530.00556	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+2Na-H"	44.97116
"635509"	2272.52276	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+2Na-H"	44.97116
"1136825"	787.48836	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2Na-H"	44.97116
"180118"	765.506418	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+2Na"	45.978436
"615299"	1136.765018	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+2Na"	45.978436
"1117710"	394.247818	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2Na"	45.978436
"1399900"	263.167637333333	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H+2Na"	46.985712
"1432264"	789.529946	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H+HCOOH"	47.012746
"231073"	770.53944	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+3H2O+2H"	56.04448
"1515855"	803.58199	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+IsoProp+H"	61.06479
"417369"	773.493388	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+Na+K"	61.952376
"776178"	1144.751988	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+Na+K"	61.952376
"1670320"	402.234788	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Na+K"	61.952376
"255018"	1549.050168	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+ACN+Na"	64.015768
"1227725"	806.532968	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+ACN+Na"	64.015768
"1715154"	806.556493	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+NH4+HCOOH"	64.039293
"1181601"	270.494951333333	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+3Na"	68.967654
"1653677"	811.511888	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Na+HCOOH"	68.994688
"158474"	1561.95344	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+2K-H"	76.91904
"597423"	2304.47064	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+2K-H"	76.91904
"1084610"	819.43624	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2K-H"	76.91904
"144709"	781.480358	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"2M+2K"	77.926316
"582199"	1152.738958	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"3M+2K"	77.926316
"1073162"	410.221758	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2K"	77.926316
"1108558"	821.450792	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2K+H"	78.933592
"1343850"	821.538407	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+DMSO+H"	79.021207
"1014567"	825.577576	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2ACN+H"	83.060376
"1530504"	826.571208	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+IsoProp+Na+H"	84.054008
"995859"	413.292426	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+2ACN+2H"	84.067652
"1592546"	827.485828	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+K+HCOOH"	84.968628
"1419306"	857.517338	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+H+CF3COOH"	115.000138
"1153970"	433.805701	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+3ACN+2H"	125.094202
"1699147"	874.543885	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+NH4+CF3COOH"	132.026685
"1641359"	879.49928	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+Na+CF3COOH"	136.98208
"1573729"	895.47322	"C15935"	"(2S)-Deoxymyxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O6"	"742.5172"	"M+K+CF3COOH"	152.95602
"806286"	758.5122	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M"	0
"988206"	739.49381	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-H2O-H"	-19.01839
"74626"	504.667524	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M-3H"	-3.021828
"514188"	757.504924	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M-3H"	-3.021828
"890896"	251.830124	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-3H"	-3.021828
"10203"	757.504924	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M-2H"	-2.014552
"454502"	1136.761024	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M-2H"	-2.014552
"830113"	378.248824	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-2H"	-2.014552
"84635"	1516.017124	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M-H"	-1.007276
"525290"	2274.529324	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M-H"	-1.007276
"900177"	757.504924	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-H"	-1.007276
"49813"	1533.043671	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M-2H+NH4"	16.019271
"491559"	2291.555871	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M-2H+NH4"	16.019271
"871548"	774.531471	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-2H+NH4"	16.019271
"35073"	1537.999066	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M-2H+Na"	20.974666
"472814"	2296.511266	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M-2H+Na"	20.974666
"850004"	779.486866	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-2H+Na"	20.974666
"1621973"	779.486866	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Na-2H"	20.974666
"95578"	775.493263	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M-H+Cl"	33.962126
"534901"	1154.749363	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M-H+Cl"	33.962126
"938143"	396.237163	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-H+Cl"	33.962126
"271232"	1551.993802	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+Cl"	34.969402
"662561"	2310.506002	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+Cl"	34.969402
"1279337"	793.481602	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Cl"	34.969402
"18613"	1553.973006	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M-2H+K"	36.948606
"457079"	2312.485206	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M-2H+K"	36.948606
"833300"	795.460806	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-2H+K"	36.948606
"1557641"	795.460806	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+K-2H"	36.948606
"953907"	803.510394	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-H+HCOOH"	44.998194
"365562"	1562.022601	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+HCOOH-H"	44.998201
"346164"	1576.038251	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+Hac-H"	59.013851
"1493783"	817.526051	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Hac-H"	59.013851
"958888"	825.492351	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-H+NaCOOH"	66.980151
"111080"	793.481602	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+2Cl"	69.938804
"551370"	1172.737702	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+2Cl"	69.938804
"1022480"	414.225502	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2Cl"	69.938804
"1244851"	837.431085	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Br"	78.918885
"1306571"	839.487072	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Cl+HCOOH"	80.974872
"1328092"	861.469029	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Cl+NaCOOH"	102.956829
"912585"	871.497786	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M-H+CF3COOH"	112.985586
"1288722"	907.474464	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Cl+CF3COOH"	148.962264
"1367817"	723.499524	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H-2H2O"	-35.012676
"1382915"	741.5095	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H-H2O"	-17.0027
"285002"	1518.031676	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+H"	1.007276
"676084"	2276.543876	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+H"	1.007276
"1353773"	759.519476	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H"	1.007276
"126213"	759.519476	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+2H"	2.014552
"566711"	1138.775576	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+2H"	2.014552
"1037941"	380.263376	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2H"	2.014552
"206937"	506.682076	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+3H"	3.021828
"646497"	759.519476	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+3H"	3.021828
"1163888"	253.844676	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+3H"	3.021828
"425092"	1535.058223	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+NH4"	18.033823
"787785"	2293.570423	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+NH4"	18.033823
"1683755"	776.546023	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+NH4"	18.033823
"334222"	768.0327495	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+H+NH4"	19.041099
"727008"	1147.2888495	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+H+NH4"	19.041099
"1480465"	388.7766495	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H+NH4"	19.041099
"398414"	1540.013618	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+Na"	22.989218
"759410"	2298.525818	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+Na"	22.989218
"1607509"	781.501418	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Na"	22.989218
"315730"	770.510447	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+H+Na"	23.996494
"708642"	1149.766547	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+H+Na"	23.996494
"1464892"	391.254347	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H+Na"	23.996494
"1059239"	261.17199	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2H+Na"	25.00377
"1265291"	791.545686	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+CH3OH+H"	33.033486
"388241"	1555.987558	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+K"	38.963158
"749235"	2314.499758	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+K"	38.963158
"1544727"	797.475358	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+K"	38.963158
"305184"	778.497417	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+H+K"	39.970434
"700521"	1157.753517	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+H+K"	39.970434
"1454712"	399.241317	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H+K"	39.970434
"243314"	1559.058226	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+ACN+H"	42.033826
"1216026"	800.546026	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+ACN+H"	42.033826
"1199909"	400.776651	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+ACN+2H"	43.041102
"192411"	1561.99556	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+2Na-H"	44.97116
"632699"	2320.50776	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+2Na-H"	44.97116
"1138027"	803.48336	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2Na-H"	44.97116
"176576"	781.501418	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+2Na"	45.978436
"615774"	1160.757518	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+2Na"	45.978436
"1122202"	402.245318	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2Na"	45.978436
"1404630"	268.499304	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H+2Na"	46.985712
"1433102"	805.524946	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H+HCOOH"	47.012746
"227540"	786.53444	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+3H2O+2H"	56.04448
"1518887"	819.57699	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+IsoProp+H"	61.06479
"418572"	789.488388	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+Na+K"	61.952376
"774100"	1168.744488	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+Na+K"	61.952376
"1671523"	410.232288	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Na+K"	61.952376
"255126"	1581.040168	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+ACN+Na"	64.015768
"1229657"	822.527968	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+ACN+Na"	64.015768
"1716357"	822.551493	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+NH4+HCOOH"	64.039293
"1182074"	275.826618	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+3Na"	68.967654
"1653058"	827.506888	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Na+HCOOH"	68.994688
"158825"	1593.94344	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+2K-H"	76.91904
"599481"	2352.45564	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+2K-H"	76.91904
"1085453"	835.43124	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2K-H"	76.91904
"149196"	797.475358	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"2M+2K"	77.926316
"586937"	1176.731458	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"3M+2K"	77.926316
"1076553"	418.219258	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2K"	77.926316
"1109763"	837.445792	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2K+H"	78.933592
"1342866"	837.533407	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+DMSO+H"	79.021207
"1009572"	841.572576	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2ACN+H"	83.060376
"1528428"	842.566208	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+IsoProp+Na+H"	84.054008
"994877"	421.289926	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+2ACN+2H"	84.067652
"1600318"	843.480828	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+K+HCOOH"	84.968628
"1429139"	873.512338	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+H+CF3COOH"	115.000138
"1150800"	441.803201	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+3ACN+2H"	125.094202
"1701445"	890.538885	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+NH4+CF3COOH"	132.026685
"1641470"	895.49428	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+Na+CF3COOH"	136.98208
"1573841"	911.46822	"C15937"	"(3R2S)-Myxol 2-(24-di-O-methyl-alpha-L-fucoside)"	"C48H70O7"	"758.5122"	"M+K+CF3COOH"	152.95602
"809677"	714.4859	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M"	0
"988316"	695.46751	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-H2O-H"	-19.01839
"72550"	475.316657333333	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M-3H"	-3.021828
"515392"	713.478624	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M-3H"	-3.021828
"892100"	237.154690666667	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-3H"	-3.021828
"12865"	713.478624	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M-2H"	-2.014552
"453518"	1070.721574	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M-2H"	-2.014552
"831317"	356.235674	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-2H"	-2.014552
"83653"	1427.964524	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M-H"	-1.007276
"530869"	2142.450424	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M-H"	-1.007276
"897738"	713.478624	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-H"	-1.007276
"53205"	1444.991071	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M-2H+NH4"	16.019271
"496045"	2159.476971	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M-2H+NH4"	16.019271
"871659"	730.505171	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-2H+NH4"	16.019271
"32873"	1449.946466	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M-2H+Na"	20.974666
"473287"	2164.432366	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M-2H+Na"	20.974666
"849749"	735.460566	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-2H+Na"	20.974666
"1619167"	735.460566	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Na-2H"	20.974666
"95931"	731.466963	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M-H+Cl"	33.962126
"545832"	1088.709913	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M-H+Cl"	33.962126
"930596"	374.224013	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-H+Cl"	33.962126
"270247"	1463.941202	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+Cl"	34.969402
"662063"	2178.427102	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+Cl"	34.969402
"1273370"	749.455302	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Cl"	34.969402
"16657"	1465.920406	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M-2H+K"	36.948606
"456947"	2180.406306	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M-2H+K"	36.948606
"832977"	751.434506	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-2H+K"	36.948606
"1557750"	751.434506	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+K-2H"	36.948606
"947456"	759.484094	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-H+HCOOH"	44.998194
"362031"	1473.970001	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+HCOOH-H"	44.998201
"346033"	1487.985651	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+Hac-H"	59.013851
"1493650"	773.499751	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Hac-H"	59.013851
"959005"	781.466051	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-H+NaCOOH"	66.980151
"110338"	749.455302	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+2Cl"	69.938804
"550386"	1106.698252	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+2Cl"	69.938804
"1022833"	392.212352	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2Cl"	69.938804
"1243872"	793.404785	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Br"	78.918885
"1307425"	795.460772	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Cl+HCOOH"	80.974872
"1322004"	817.442729	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Cl+NaCOOH"	102.956829
"912090"	827.471486	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M-H+CF3COOH"	112.985586
"1288673"	863.448164	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Cl+CF3COOH"	148.962264
"1367096"	679.473224	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H-2H2O"	-35.012676
"1382867"	697.4832	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H-H2O"	-17.0027
"283287"	1429.979076	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+H"	1.007276
"675667"	2144.464976	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+H"	1.007276
"1353154"	715.493176	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H"	1.007276
"126043"	715.493176	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+2H"	2.014552
"565681"	1072.736126	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+2H"	2.014552
"1037060"	358.250226	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2H"	2.014552
"204732"	477.331209333333	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+3H"	3.021828
"644327"	715.493176	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+3H"	3.021828
"1163385"	239.169242666667	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+3H"	3.021828
"425200"	1447.005623	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+NH4"	18.033823
"788262"	2161.491523	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+NH4"	18.033823
"1684593"	732.519723	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+NH4"	18.033823
"331415"	724.0064495	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+H+NH4"	19.041099
"726385"	1081.2493995	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+H+NH4"	19.041099
"1480207"	366.7634995	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H+NH4"	19.041099
"398524"	1451.961018	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+Na"	22.989218
"756241"	2166.446918	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+Na"	22.989218
"1602753"	737.475118	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Na"	22.989218
"314501"	726.484147	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+H+Na"	23.996494
"711186"	1083.727097	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+H+Na"	23.996494
"1463910"	369.241197	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H+Na"	23.996494
"1059348"	246.496556666667	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2H+Na"	25.00377
"1263214"	747.519386	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+CH3OH+H"	33.033486
"386166"	1467.934958	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+K"	38.963158
"748254"	2182.420858	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+K"	38.963158
"1549212"	753.449058	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+K"	38.963158
"302741"	734.471117	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+H+K"	39.970434
"694803"	1091.714067	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+H+K"	39.970434
"1455915"	377.228167	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H+K"	39.970434
"246705"	1471.005626	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+ACN+H"	42.033826
"1223792"	756.519726	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+ACN+H"	42.033826
"1204391"	378.763501	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+ACN+2H"	43.041102
"196168"	1473.94296	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+2Na-H"	44.97116
"636822"	2188.42886	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+2Na-H"	44.97116
"1134127"	759.45706	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2Na-H"	44.97116
"175229"	737.475118	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+2Na"	45.978436
"614547"	1094.718068	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+2Na"	45.978436
"1117564"	380.232168	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2Na"	45.978436
"1404740"	253.823870666667	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H+2Na"	46.985712
"1432484"	761.498646	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H+HCOOH"	47.012746
"227650"	742.50814	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+3H2O+2H"	56.04448
"1517904"	775.55069	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+IsoProp+H"	61.06479
"416496"	745.462088	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+Na+K"	61.952376
"775304"	1102.705038	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+Na+K"	61.952376
"1671634"	388.219138	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Na+K"	61.952376
"254146"	1492.987568	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+ACN+Na"	64.015768
"1229769"	778.501668	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+ACN+Na"	64.015768
"1715374"	778.525193	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+NH4+HCOOH"	64.039293
"1182915"	261.151184666667	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+3Na"	68.967654
"1652194"	783.480588	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Na+HCOOH"	68.994688
"158814"	1505.89084	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+2K-H"	76.91904
"598616"	2220.37674	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+2K-H"	76.91904
"1085438"	791.40494	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2K-H"	76.91904
"144935"	753.449058	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"2M+2K"	77.926316
"585954"	1110.692008	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"3M+2K"	77.926316
"1073384"	396.206108	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2K"	77.926316
"1105501"	793.419492	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2K+H"	78.933592
"1339332"	793.507107	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+DMSO+H"	79.021207
"1007496"	797.546276	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2ACN+H"	83.060376
"1529635"	798.539908	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+IsoProp+Na+H"	84.054008
"992801"	399.276776	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+2ACN+2H"	84.067652
"1598242"	799.454528	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+K+HCOOH"	84.968628
"1428279"	829.486038	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+H+CF3COOH"	115.000138
"1159658"	419.790051	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+3ACN+2H"	125.094202
"1707023"	846.512585	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+NH4+CF3COOH"	132.026685
"1638300"	851.46798	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+Na+CF3COOH"	136.98208
"1573951"	867.44192	"C15940"	"(2S)-Deoxymyxol 2-alpha-L-fucoside"	"C46H66O6"	"714.4859"	"M+K+CF3COOH"	152.95602
"809787"	730.4809	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M"	0
"986603"	711.46251	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-H2O-H"	-19.01839
"71567"	485.979990666667	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M-3H"	-3.021828
"513314"	729.473624	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M-3H"	-3.021828
"890023"	242.486357333333	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-3H"	-3.021828
"11882"	729.473624	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M-2H"	-2.014552
"452533"	1094.714074	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M-2H"	-2.014552
"828148"	364.233174	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-2H"	-2.014552
"82670"	1459.954524	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M-H"	-1.007276
"530979"	2190.435424	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M-H"	-1.007276
"896509"	729.473624	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-H"	-1.007276
"50035"	1476.981071	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M-2H+NH4"	16.019271
"488499"	2207.461971	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M-2H+NH4"	16.019271
"871770"	746.500171	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-2H+NH4"	16.019271
"34570"	1481.936466	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M-2H+Na"	20.974666
"471940"	2212.417366	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M-2H+Na"	20.974666
"851567"	751.455566	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-2H+Na"	20.974666
"1624382"	751.455566	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Na-2H"	20.974666
"99087"	747.461963	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M-H+Cl"	33.962126
"548129"	1112.702413	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M-H+Cl"	33.962126
"936176"	382.221513	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-H+Cl"	33.962126
"270359"	1495.931202	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+Cl"	34.969402
"662781"	2226.412102	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+Cl"	34.969402
"1273318"	765.450302	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Cl"	34.969402
"16278"	1497.910406	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M-2H+K"	36.948606
"456283"	2228.391306	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M-2H+K"	36.948606
"833277"	767.429506	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-2H+K"	36.948606
"1557496"	767.429506	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+K-2H"	36.948606
"944286"	775.479094	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-H+HCOOH"	44.998194
"361565"	1505.960001	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+HCOOH-H"	44.998201
"346215"	1519.975651	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+Hac-H"	59.013851
"1493065"	789.494751	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Hac-H"	59.013851
"959109"	797.461051	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-H+NaCOOH"	66.980151
"110242"	765.450302	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+2Cl"	69.938804
"550980"	1130.690752	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+2Cl"	69.938804
"1022577"	400.209852	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2Cl"	69.938804
"1245075"	809.399785	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Br"	78.918885
"1304648"	811.455772	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Cl+HCOOH"	80.974872
"1321749"	833.437729	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Cl+NaCOOH"	102.956829
"912079"	843.466486	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M-H+CF3COOH"	112.985586
"1288623"	879.443164	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Cl+CF3COOH"	148.962264
"1367147"	695.468224	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H-2H2O"	-35.012676
"1383011"	713.4782	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H-H2O"	-17.0027
"282901"	1461.969076	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+H"	1.007276
"675812"	2192.449976	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+H"	1.007276
"1351431"	731.488176	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H"	1.007276
"125796"	731.488176	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+2H"	2.014552
"565907"	1096.728626	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+2H"	2.014552
"1037078"	366.247726	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2H"	2.014552
"204598"	487.994542666667	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+3H"	3.021828
"644278"	731.488176	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+3H"	3.021828
"1163010"	244.500909333333	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+3H"	3.021828
"427012"	1478.995623	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+NH4"	18.033823
"788739"	2209.476523	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+NH4"	18.033823
"1685797"	748.514723	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+NH4"	18.033823
"332253"	740.0014495	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+H+NH4"	19.041099
"726860"	1105.2418995	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+H+NH4"	19.041099
"1480683"	374.7609995	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H+NH4"	19.041099
"396448"	1483.951018	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+Na"	22.989218
"758537"	2214.431918	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+Na"	22.989218
"1602880"	753.470118	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Na"	22.989218
"314281"	742.479147	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+H+Na"	23.996494
"713484"	1107.719597	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+H+Na"	23.996494
"1462683"	377.238697	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H+Na"	23.996494
"1062740"	251.828223333333	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2H+Na"	25.00377
"1264417"	763.514386	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+CH3OH+H"	33.033486
"388463"	1499.924958	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+K"	38.963158
"754043"	2230.405858	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+K"	38.963158
"1551146"	769.444058	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+K"	38.963158
"303216"	750.466117	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+H+K"	39.970434
"695642"	1115.706567	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+H+K"	39.970434
"1454932"	385.225667	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H+K"	39.970434
"246815"	1502.995626	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+ACN+H"	42.033826
"1219526"	772.514726	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+ACN+H"	42.033826
"1201219"	386.761001	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+ACN+2H"	43.041102
"194088"	1505.93296	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+2Na-H"	44.97116
"636932"	2236.41386	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+2Na-H"	44.97116
"1136060"	775.45206	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2Na-H"	44.97116
"175095"	753.470118	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+2Na"	45.978436
"614656"	1118.710568	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+2Na"	45.978436
"1119131"	388.229668	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2Na"	45.978436
"1402663"	259.155537333333	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H+2Na"	46.985712
"1430036"	777.493646	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H+HCOOH"	47.012746
"226667"	758.50314	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+3H2O+2H"	56.04448
"1515827"	791.54569	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+IsoProp+H"	61.06479
"414419"	761.457088	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+Na+K"	61.952376
"774322"	1126.697538	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+Na+K"	61.952376
"1667736"	396.216638	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Na+K"	61.952376
"255350"	1524.977568	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+ACN+Na"	64.015768
"1227694"	794.496668	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+ACN+Na"	64.015768
"1715119"	794.520193	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+NH4+HCOOH"	64.039293
"1180838"	266.482851333333	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+3Na"	68.967654
"1651456"	799.475588	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Na+HCOOH"	68.994688
"157587"	1537.88084	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+2K-H"	76.91904
"598608"	2268.36174	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+2K-H"	76.91904
"1084413"	807.39994	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2K-H"	76.91904
"145045"	769.444058	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"2M+2K"	77.926316
"586794"	1134.684508	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"3M+2K"	77.926316
"1073494"	404.203608	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2K"	77.926316
"1106706"	809.414492	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2K+H"	78.933592
"1339809"	809.502107	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+DMSO+H"	79.021207
"1007971"	813.541276	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2ACN+H"	83.060376
"1533027"	814.534908	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+IsoProp+Na+H"	84.054008
"991818"	407.274276	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+2ACN+2H"	84.067652
"1599447"	815.449528	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+K+HCOOH"	84.968628
"1429119"	845.481038	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+H+CF3COOH"	115.000138
"1159770"	427.787551	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+3ACN+2H"	125.094202
"1707133"	862.507585	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+NH4+CF3COOH"	132.026685
"1639503"	867.46298	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+Na+CF3COOH"	136.98208
"1579529"	883.43692	"C15941"	"(3R2S)-Myxol 2-alpha-L-fucoside"	"C46H66O7"	"730.4809"	"M+K+CF3COOH"	152.95602
"813178"	744.4601	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M"	0
"986713"	725.44171	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-H2O-H"	-19.01839
"71677"	495.299457333333	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M-3H"	-3.021828
"514517"	743.452824	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M-3H"	-3.021828
"889040"	247.146090666667	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-3H"	-3.021828
"10899"	743.452824	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M-2H"	-2.014552
"451551"	1115.682874	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M-2H"	-2.014552
"827165"	371.222774	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-2H"	-2.014552
"84967"	1487.912924	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M-H"	-1.007276
"527809"	2232.373024	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M-H"	-1.007276
"897592"	743.452824	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-H"	-1.007276
"52332"	1504.939471	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M-2H+NH4"	16.019271
"489336"	2249.399571	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M-2H+NH4"	16.019271
"868964"	760.479371	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-2H+NH4"	16.019271
"33220"	1509.894866	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M-2H+Na"	20.974666
"471762"	2254.354966	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M-2H+Na"	20.974666
"849854"	765.434766	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-2H+Na"	20.974666
"1620118"	765.434766	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Na-2H"	20.974666
"98835"	761.441163	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M-H+Cl"	33.962126
"548118"	1133.671213	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M-H+Cl"	33.962126
"936286"	389.211113	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-H+Cl"	33.962126
"270469"	1523.889602	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+Cl"	34.969402
"663984"	2268.349702	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+Cl"	34.969402
"1273350"	779.429502	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Cl"	34.969402
"18944"	1525.868806	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M-2H+K"	36.948606
"455776"	2270.328906	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M-2H+K"	36.948606
"834483"	781.408706	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-2H+K"	36.948606
"1558701"	781.408706	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+K-2H"	36.948606
"944761"	789.458294	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-H+HCOOH"	44.998194
"362006"	1533.918401	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+HCOOH-H"	44.998201
"345832"	1547.934051	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+Hac-H"	59.013851
"1493259"	803.473951	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Hac-H"	59.013851
"958680"	811.440251	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-H+NaCOOH"	66.980151
"110205"	779.429502	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+2Cl"	69.938804
"551333"	1151.659552	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+2Cl"	69.938804
"1024141"	407.199452	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2Cl"	69.938804
"1243362"	823.378985	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Br"	78.918885
"1304718"	825.434972	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Cl+HCOOH"	80.974872
"1319896"	847.416929	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Cl+NaCOOH"	102.956829
"913283"	857.445686	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M-H+CF3COOH"	112.985586
"1289990"	893.422364	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Cl+CF3COOH"	148.962264
"1368149"	709.447424	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H-2H2O"	-35.012676
"1383087"	727.4574	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H-H2O"	-17.0027
"282954"	1489.927476	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+H"	1.007276
"675737"	2234.387576	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+H"	1.007276
"1351667"	745.467376	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H"	1.007276
"126017"	745.467376	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+2H"	2.014552
"566348"	1117.697426	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+2H"	2.014552
"1037778"	373.237326	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2H"	2.014552
"204868"	497.314009333333	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+3H"	3.021828
"644875"	745.467376	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+3H"	3.021828
"1163606"	249.160642666667	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+3H"	3.021828
"427123"	1506.954023	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+NH4"	18.033823
"788847"	2251.414123	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+NH4"	18.033823
"1685178"	762.493923	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+NH4"	18.033823
"333092"	753.9806495	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+H+NH4"	19.041099
"726242"	1126.2106995	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+H+NH4"	19.041099
"1481158"	381.7505995	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H+NH4"	19.041099
"399838"	1511.909418	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+Na"	22.989218
"758647"	2256.369518	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+Na"	22.989218
"1603018"	767.449318	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Na"	22.989218
"314635"	756.458347	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+H+Na"	23.996494
"712500"	1128.688397	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+H+Na"	23.996494
"1461537"	384.228297	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H+Na"	23.996494
"1062486"	256.487956666667	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2H+Na"	25.00377
"1264527"	777.493586	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+CH3OH+H"	33.033486
"387844"	1527.883358	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+K"	38.963158
"749932"	2272.343458	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+K"	38.963158
"1548338"	783.423258	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+K"	38.963158
"302233"	764.445317	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+H+K"	39.970434
"699031"	1136.675367	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+H+K"	39.970434
"1455042"	392.215267	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H+K"	39.970434
"248017"	1530.954026	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+ACN+H"	42.033826
"1219636"	786.493926	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+ACN+H"	42.033826
"1201329"	393.750601	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+ACN+2H"	43.041102
"194199"	1533.89136	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+2Na-H"	44.97116
"634125"	2278.35146	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+2Na-H"	44.97116
"1134713"	789.43126	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2Na-H"	44.97116
"173748"	767.449318	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+2Na"	45.978436
"615495"	1139.679368	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+2Na"	45.978436
"1117783"	395.219268	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2Na"	45.978436
"1402773"	263.815270666667	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H+2Na"	46.985712
"1430393"	791.472846	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H+HCOOH"	47.012746
"227870"	772.48234	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+3H2O+2H"	56.04448
"1519217"	805.52489	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+IsoProp+H"	61.06479
"415622"	775.436288	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+Na+K"	61.952376
"774431"	1147.666338	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+Na+K"	61.952376
"1668940"	403.206238	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Na+K"	61.952376
"254367"	1552.935968	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+ACN+Na"	64.015768
"1226711"	808.475868	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+ACN+Na"	64.015768
"1714865"	808.499393	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+NH4+HCOOH"	64.039293
"1179854"	271.142584666667	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+3Na"	68.967654
"1650471"	813.454788	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Na+HCOOH"	68.994688
"157370"	1565.83924	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+2K-H"	76.91904
"597746"	2310.29934	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+2K-H"	76.91904
"1084929"	821.37914	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2K-H"	76.91904
"145155"	783.423258	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"2M+2K"	77.926316
"585811"	1155.653308	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"3M+2K"	77.926316
"1072875"	411.193208	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2K"	77.926316
"1106816"	823.393692	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2K+H"	78.933592
"1341012"	823.481307	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+DMSO+H"	79.021207
"1007353"	827.520476	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2ACN+H"	83.060376
"1534230"	828.514108	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+IsoProp+Na+H"	84.054008
"991928"	414.263876	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+2ACN+2H"	84.067652
"1599557"	829.428728	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+K+HCOOH"	84.968628
"1427043"	859.460238	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+H+CF3COOH"	115.000138
"1157693"	434.777151	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+3ACN+2H"	125.094202
"1705056"	876.486785	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+NH4+CF3COOH"	132.026685
"1639613"	881.44218	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+Na+CF3COOH"	136.98208
"1573442"	897.41612	"C15942"	"(3S2S)-4-Ketomyxol 2-alpha-L-fucoside"	"C46H64O8"	"744.4601"	"M+K+CF3COOH"	152.95602
"816447"	528.3756	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M"	0
"986823"	509.35721	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-H2O-H"	-19.01839
"77255"	351.243124	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M-3H"	-3.021828
"513535"	527.368324	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M-3H"	-3.021828
"885870"	175.117924	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-3H"	-3.021828
"11009"	527.368324	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M-2H"	-2.014552
"451661"	791.556124	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M-2H"	-2.014552
"825086"	263.180524	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-2H"	-2.014552
"88356"	1055.743924	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M-H"	-1.007276
"529013"	1584.119524	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M-H"	-1.007276
"899160"	527.368324	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-H"	-1.007276
"56816"	1072.770471	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M-2H+NH4"	16.019271
"495282"	1601.146071	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M-2H+NH4"	16.019271
"869074"	544.394871	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-2H+NH4"	16.019271
"34058"	1077.725866	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M-2H+Na"	20.974666
"472275"	1606.101466	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M-2H+Na"	20.974666
"849964"	549.350266	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-2H+Na"	20.974666
"1619136"	549.350266	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Na-2H"	20.974666
"98945"	545.356663	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M-H+Cl"	33.962126
"547864"	809.544463	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M-H+Cl"	33.962126
"936396"	281.168863	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-H+Cl"	33.962126
"277141"	1091.720602	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+Cl"	34.969402
"668468"	1620.096202	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+Cl"	34.969402
"1275404"	563.345002	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Cl"	34.969402
"21241"	1093.699806	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M-2H+K"	36.948606
"456428"	1622.075406	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M-2H+K"	36.948606
"836417"	565.324206	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-2H+K"	36.948606
"1560998"	565.324206	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+K-2H"	36.948606
"944508"	573.373794	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-H+HCOOH"	44.998194
"361873"	1101.749401	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+HCOOH-H"	44.998201
"346362"	1115.765051	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+Hac-H"	59.013851
"1495440"	587.389451	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Hac-H"	59.013851
"961886"	595.355751	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-H+NaCOOH"	66.980151
"111518"	563.345002	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+2Cl"	69.938804
"551082"	827.532802	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+2Cl"	69.938804
"1022794"	299.157202	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2Cl"	69.938804
"1242014"	607.294485	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Br"	78.918885
"1304342"	609.350472	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Cl+HCOOH"	80.974872
"1320137"	631.332429	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Cl+NaCOOH"	102.956829
"911651"	641.361186	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M-H+CF3COOH"	112.985586
"1288579"	677.337864	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Cl+CF3COOH"	148.962264
"1367531"	493.362924	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H-2H2O"	-35.012676
"1383203"	511.3729	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H-H2O"	-17.0027
"283492"	1057.758476	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+H"	1.007276
"676407"	1586.134076	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+H"	1.007276
"1351782"	529.382876	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H"	1.007276
"126049"	529.382876	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+2H"	2.014552
"567762"	793.570676	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+2H"	2.014552
"1037650"	265.195076	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2H"	2.014552
"205184"	353.257676	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+3H"	3.021828
"645838"	529.382876	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+3H"	3.021828
"1163599"	177.132476	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+3H"	3.021828
"425414"	1074.785023	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+NH4"	18.033823
"787134"	1603.160623	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+NH4"	18.033823
"1684196"	546.409423	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+NH4"	18.033823
"331016"	537.8961495	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+H+NH4"	19.041099
"725625"	802.0839495	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+H+NH4"	19.041099
"1482363"	273.7083495	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H+NH4"	19.041099
"397762"	1079.740418	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+Na"	22.989218
"763132"	1608.116018	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+Na"	22.989218
"1603131"	551.364818	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Na"	22.989218
"314789"	540.373847	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+H+Na"	23.996494
"712610"	804.561647	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+H+Na"	23.996494
"1462416"	276.186047	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H+Na"	23.996494
"1061867"	184.45979	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2H+Na"	25.00377
"1263544"	561.409086	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+CH3OH+H"	33.033486
"387226"	1095.714358	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+K"	38.963158
"747490"	1624.089958	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+K"	38.963158
"1545167"	567.338758	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+K"	38.963158
"300153"	548.360817	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+H+K"	39.970434
"695860"	812.548617	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+H+K"	39.970434
"1456245"	284.173017	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H+K"	39.970434
"248127"	1098.785026	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+ACN+H"	42.033826
"1221933"	570.409426	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+ACN+H"	42.033826
"1202532"	285.708351	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+ACN+2H"	43.041102
"194309"	1101.72236	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+2Na-H"	44.97116
"633871"	1630.09796	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+2Na-H"	44.97116
"1134095"	573.34676	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2Na-H"	44.97116
"174709"	551.364818	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+2Na"	45.978436
"614877"	815.552618	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+2Na"	45.978436
"1117893"	287.177018	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2Na"	45.978436
"1402882"	191.787104	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H+2Na"	46.985712
"1430177"	575.388346	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H+HCOOH"	47.012746
"224698"	556.39784	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+3H2O+2H"	56.04448
"1517138"	589.44039	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+IsoProp+H"	61.06479
"415732"	559.351788	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+Na+K"	61.952376
"771261"	823.539588	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+Na+K"	61.952376
"1666863"	295.163988	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Na+K"	61.952376
"251411"	1120.766968	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+ACN+Na"	64.015768
"1227185"	592.391368	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+ACN+Na"	64.015768
"1712823"	592.414893	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+NH4+HCOOH"	64.039293
"1181423"	199.114418	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+3Na"	68.967654
"1649931"	597.370288	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Na+HCOOH"	68.994688
"157290"	1133.67024	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+2K-H"	76.91904
"597150"	1662.04584	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+2K-H"	76.91904
"1084238"	605.29464	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2K-H"	76.91904
"146361"	567.338758	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"2M+2K"	77.926316
"588110"	831.526558	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"3M+2K"	77.926316
"1078090"	303.150958	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2K"	77.926316
"1105831"	607.309192	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2K+H"	78.933592
"1342217"	607.396807	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+DMSO+H"	79.021207
"1010746"	611.435976	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2ACN+H"	83.060376
"1534340"	612.429608	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+IsoProp+Na+H"	84.054008
"990941"	306.221626	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+2ACN+2H"	84.067652
"1601733"	613.344228	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+K+HCOOH"	84.968628
"1428734"	643.375738	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+H+CF3COOH"	115.000138
"1161083"	326.734901	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+3ACN+2H"	125.094202
"1706259"	660.402285	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+NH4+CF3COOH"	132.026685
"1641910"	665.35768	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+Na+CF3COOH"	136.98208
"1576468"	681.33162	"C15943"	"Isorenieratene"	"C40H48"	"528.3756"	"M+K+CF3COOH"	152.95602
"810123"	882.6374	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M"	0
"980377"	863.61901	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-H2O-H"	-19.01839
"66430"	587.417657333333	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M-3H"	-3.021828
"508177"	881.630124	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M-3H"	-3.021828
"888165"	293.205190666667	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-3H"	-3.021828
"8926"	881.630124	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M-2H"	-2.014552
"441563"	1322.948824	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M-2H"	-2.014552
"819003"	440.311424	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-2H"	-2.014552
"89938"	1764.267524	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M-H"	-1.007276
"526943"	2646.904924	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M-H"	-1.007276
"904745"	881.630124	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-H"	-1.007276
"53654"	1781.294071	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M-2H+NH4"	16.019271
"494304"	2663.931471	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M-2H+NH4"	16.019271
"865672"	898.656671	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-2H+NH4"	16.019271
"40013"	1786.249466	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M-2H+Na"	20.974666
"485045"	2668.886866	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M-2H+Na"	20.974666
"860660"	903.612066	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-2H+Na"	20.974666
"1618808"	903.612066	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Na-2H"	20.974666
"96881"	899.618463	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M-H+Cl"	33.962126
"534696"	1340.937163	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M-H+Cl"	33.962126
"931047"	458.299763	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-H+Cl"	33.962126
"270697"	1800.244202	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+Cl"	34.969402
"661294"	2682.881602	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+Cl"	34.969402
"1272970"	917.606802	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Cl"	34.969402
"18811"	1802.223406	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M-2H+K"	36.948606
"456907"	2684.860806	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M-2H+K"	36.948606
"834101"	919.586006	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-2H+K"	36.948606
"1560394"	919.586006	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+K-2H"	36.948606
"950099"	927.635594	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-H+HCOOH"	44.998194
"363937"	1810.273001	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+HCOOH-H"	44.998201
"353293"	1824.288651	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+Hac-H"	59.013851
"1493739"	941.651251	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Hac-H"	59.013851
"965293"	949.617551	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-H+NaCOOH"	66.980151
"111286"	917.606802	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+2Cl"	69.938804
"553398"	1358.925502	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+2Cl"	69.938804
"1023777"	476.288102	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2Cl"	69.938804
"1246880"	961.556285	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Br"	78.918885
"1307144"	963.612272	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Cl+HCOOH"	80.974872
"1328649"	985.594229	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Cl+NaCOOH"	102.956829
"915336"	995.622986	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M-H+CF3COOH"	112.985586
"1295324"	1031.599664	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Cl+CF3COOH"	148.962264
"1368747"	847.624724	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H-2H2O"	-35.012676
"1387702"	865.6347	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H-H2O"	-17.0027
"288482"	1766.282076	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+H"	1.007276
"676893"	2648.919476	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+H"	1.007276
"1351658"	883.644676	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H"	1.007276
"126001"	883.644676	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+2H"	2.014552
"565928"	1324.963376	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+2H"	2.014552
"1037275"	442.325976	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2H"	2.014552
"205053"	589.432209333333	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+3H"	3.021828
"644492"	883.644676	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+3H"	3.021828
"1164074"	295.219742666667	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+3H"	3.021828
"425159"	1783.308623	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+NH4"	18.033823
"787616"	2665.946023	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+NH4"	18.033823
"1681525"	900.671223	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+NH4"	18.033823
"330535"	892.1579495	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+H+NH4"	19.041099
"735238"	1333.4766495	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+H+NH4"	19.041099
"1491249"	450.8392495	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H+NH4"	19.041099
"405187"	1788.264018	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+Na"	22.989218
"768367"	2670.901418	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+Na"	22.989218
"1617447"	905.626618	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Na"	22.989218
"327596"	894.635647	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+H+Na"	23.996494
"721729"	1335.954347	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+H+Na"	23.996494
"1476400"	453.316947	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H+Na"	23.996494
"1066360"	302.547056666667	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2H+Na"	25.00377
"1266946"	915.670886	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+CH3OH+H"	33.033486
"390994"	1804.237958	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+K"	38.963158
"749801"	2686.875358	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+K"	38.963158
"1552945"	921.600558	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+K"	38.963158
"307934"	902.622617	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+H+K"	39.970434
"702542"	1343.941317	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+H+K"	39.970434
"1455997"	461.303917	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H+K"	39.970434
"243870"	1807.308626	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+ACN+H"	42.033826
"1215483"	924.671226	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+ACN+H"	42.033826
"1205204"	462.839251	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+ACN+2H"	43.041102
"197710"	1810.24596	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+2Na-H"	44.97116
"639093"	2692.88336	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+2Na-H"	44.97116
"1140774"	927.60856	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2Na-H"	44.97116
"181878"	905.626618	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+2Na"	45.978436
"622532"	1346.945318	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+2Na"	45.978436
"1120569"	464.307918	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2Na"	45.978436
"1404093"	309.874370666667	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H+2Na"	46.985712
"1431836"	929.650146	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H+HCOOH"	47.012746
"220802"	910.65964	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+3H2O+2H"	56.04448
"1508861"	943.70219	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+IsoProp+H"	61.06479
"408789"	913.613588	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+Na+K"	61.952376
"770517"	1354.932288	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+Na+K"	61.952376
"1665761"	472.294888	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Na+K"	61.952376
"252155"	1829.290568	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+ACN+Na"	64.015768
"1226196"	946.653168	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+ACN+Na"	64.015768
"1714363"	946.676693	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+NH4+HCOOH"	64.039293
"1185550"	317.201684666667	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+3Na"	68.967654
"1656537"	951.632088	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Na+HCOOH"	68.994688
"164491"	1842.19384	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+2K-H"	76.91904
"602957"	2724.83124	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+2K-H"	76.91904
"1090752"	959.55644	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2K-H"	76.91904
"150851"	921.600558	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"2M+2K"	77.926316
"594788"	1362.919258	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"3M+2K"	77.926316
"1078206"	480.281858	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2K"	77.926316
"1114694"	961.570992	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2K+H"	78.933592
"1347799"	961.658607	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+DMSO+H"	79.021207
"1015237"	965.697776	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2ACN+H"	83.060376
"1536641"	966.691408	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+IsoProp+Na+H"	84.054008
"998714"	483.352526	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+2ACN+2H"	84.067652
"1599777"	967.606028	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+K+HCOOH"	84.968628
"1417785"	997.637538	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+H+CF3COOH"	115.000138
"1154633"	503.865801	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+3ACN+2H"	125.094202
"1700906"	1014.664085	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+NH4+CF3COOH"	132.026685
"1642026"	1019.61948	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+Na+CF3COOH"	136.98208
"1576584"	1035.59342	"C15952"	"Thermocryptoxanthin-11"	"C57H86O7"	"882.6374"	"M+K+CF3COOH"	152.95602
"810233"	910.6687	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M"	0
"980487"	891.65031	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-H2O-H"	-19.01839
"69821"	606.105190666667	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M-3H"	-3.021828
"510474"	909.661424	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M-3H"	-3.021828
"884995"	302.548957333333	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-3H"	-3.021828
"5756"	909.661424	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M-2H"	-2.014552
"441309"	1364.995774	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M-2H"	-2.014552
"820935"	454.327074	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-2H"	-2.014552
"89680"	1820.330124	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M-H"	-1.007276
"527053"	2730.998824	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M-H"	-1.007276
"907042"	909.661424	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-H"	-1.007276
"50483"	1837.356671	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M-2H+NH4"	16.019271
"491135"	2748.025371	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M-2H+NH4"	16.019271
"867848"	926.687971	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-2H+NH4"	16.019271
"40124"	1842.312066	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M-2H+Na"	20.974666
"480779"	2752.980766	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M-2H+Na"	20.974666
"860407"	931.643366	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-2H+Na"	20.974666
"1623744"	931.643366	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Na-2H"	20.974666
"96992"	927.649763	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M-H+Cl"	33.962126
"535578"	1382.984113	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M-H+Cl"	33.962126
"931157"	472.315413	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-H+Cl"	33.962126
"274087"	1856.306802	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+Cl"	34.969402
"660918"	2766.975502	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+Cl"	34.969402
"1273808"	945.638102	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Cl"	34.969402
"16402"	1858.286006	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M-2H+K"	36.948606
"456894"	2768.954706	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M-2H+K"	36.948606
"833722"	947.617306	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-2H+K"	36.948606
"1561233"	947.617306	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+K-2H"	36.948606
"952396"	955.666894	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-H+HCOOH"	44.998194
"365870"	1866.335601	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+HCOOH-H"	44.998201
"355588"	1880.351251	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+Hac-H"	59.013851
"1498955"	969.682551	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Hac-H"	59.013851
"963215"	977.648851	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-H+NaCOOH"	66.980151
"113224"	945.638102	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+2Cl"	69.938804
"553143"	1400.972452	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+2Cl"	69.938804
"1024495"	490.303752	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2Cl"	69.938804
"1246261"	989.587585	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Br"	78.918885
"1312359"	991.643572	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Cl+HCOOH"	80.974872
"1328759"	1013.625529	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Cl+NaCOOH"	102.956829
"920913"	1023.654286	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M-H+CF3COOH"	112.985586
"1298716"	1059.630964	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Cl+CF3COOH"	148.962264
"1371410"	875.656024	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H-2H2O"	-35.012676
"1391092"	893.666	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H-H2O"	-17.0027
"291872"	1822.344676	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+H"	1.007276
"678825"	2733.013376	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+H"	1.007276
"1351893"	911.675976	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H"	1.007276
"125990"	911.675976	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+2H"	2.014552
"565789"	1367.010326	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+2H"	2.014552
"1037251"	456.341626	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2H"	2.014552
"204558"	608.119742666667	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+3H"	3.021828
"645693"	911.675976	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+3H"	3.021828
"1164305"	304.563509333333	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+3H"	3.021828
"426362"	1839.371223	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+NH4"	18.033823
"786755"	2750.039923	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+NH4"	18.033823
"1681638"	928.702523	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+NH4"	18.033823
"331010"	920.1892495	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+H+NH4"	19.041099
"738444"	1375.5235995	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+H+NH4"	19.041099
"1492575"	464.8548995	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H+NH4"	19.041099
"406755"	1844.326618	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+Na"	22.989218
"769449"	2754.995318	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+Na"	22.989218
"1616942"	933.657918	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Na"	22.989218
"324790"	922.666947	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+H+Na"	23.996494
"718312"	1378.001297	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+H+Na"	23.996494
"1475408"	467.332597	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H+Na"	23.996494
"1065377"	311.890823333333	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2H+Na"	25.00377
"1263777"	943.702186	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+CH3OH+H"	33.033486
"390745"	1860.300558	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+K"	38.963158
"752097"	2770.969258	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+K"	38.963158
"1551962"	949.631858	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+K"	38.963158
"309137"	930.653917	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+H+K"	39.970434
"702651"	1385.988267	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+H+K"	39.970434
"1456471"	475.319567	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H+K"	39.970434
"243980"	1863.371226	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+ACN+H"	42.033826
"1215593"	952.702526	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+ACN+H"	42.033826
"1206042"	476.854901	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+ACN+2H"	43.041102
"197821"	1866.30856	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+2Na-H"	44.97116
"640296"	2776.97726	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+2Na-H"	44.97116
"1139791"	955.63986	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2Na-H"	44.97116
"186726"	933.657918	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+2Na"	45.978436
"621548"	1388.992268	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+2Na"	45.978436
"1123961"	478.323568	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2Na"	45.978436
"1404203"	319.218137333333	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H+2Na"	46.985712
"1433039"	957.681446	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H+HCOOH"	47.012746
"220301"	938.69094	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+3H2O+2H"	56.04448
"1508728"	971.73349	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+IsoProp+H"	61.06479
"409144"	941.644888	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+Na+K"	61.952376
"770299"	1396.979238	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+Na+K"	61.952376
"1668903"	486.310538	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Na+K"	61.952376
"252381"	1885.353168	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+ACN+Na"	64.015768
"1226670"	974.684468	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+ACN+Na"	64.015768
"1712732"	974.707993	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+NH4+HCOOH"	64.039293
"1178539"	326.545451333333	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+3Na"	68.967654
"1650685"	979.663388	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Na+HCOOH"	68.994688
"160226"	1898.25644	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+2K-H"	76.91904
"598690"	2808.92514	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+2K-H"	76.91904
"1088675"	987.58774	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2K-H"	76.91904
"148773"	949.631858	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"2M+2K"	77.926316
"592709"	1404.966208	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"3M+2K"	77.926316
"1081595"	494.297508	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2K"	77.926316
"1108244"	989.602292	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2K+H"	78.933592
"1349975"	989.689907	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+DMSO+H"	79.021207
"1017533"	993.729076	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2ACN+H"	83.060376
"1534564"	994.722708	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+IsoProp+Na+H"	84.054008
"997731"	497.368176	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+2ACN+2H"	84.067652
"1596607"	995.637328	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+K+HCOOH"	84.968628
"1416801"	1025.668838	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+H+CF3COOH"	115.000138
"1159116"	517.881451	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+3ACN+2H"	125.094202
"1701013"	1042.695385	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+NH4+CF3COOH"	132.026685
"1638856"	1047.65078	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+Na+CF3COOH"	136.98208
"1576694"	1063.62472	"C15954"	"Thermocryptoxanthin-13"	"C59H90O7"	"910.6687"	"M+K+CF3COOH"	152.95602
"810343"	938.7	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M"	0
"980597"	919.68161	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-H2O-H"	-19.01839
"69931"	624.792724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M-3H"	-3.021828
"510584"	937.692724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M-3H"	-3.021828
"885105"	311.892724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-3H"	-3.021828
"5866"	937.692724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M-2H"	-2.014552
"447615"	1407.042724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M-2H"	-2.014552
"821045"	468.342724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-2H"	-2.014552
"86510"	1876.392724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M-H"	-1.007276
"522787"	2815.092724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M-H"	-1.007276
"900590"	937.692724	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-H"	-1.007276
"51685"	1893.419271	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M-2H+NH4"	16.019271
"490512"	2832.119271	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M-2H+NH4"	16.019271
"867957"	954.719271	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-2H+NH4"	16.019271
"39141"	1898.374666	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M-2H+Na"	20.974666
"475420"	2837.074666	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M-2H+Na"	20.974666
"856504"	959.674666	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-2H+Na"	20.974666
"1628225"	959.674666	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Na-2H"	20.974666
"97102"	955.681063	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M-H+Cl"	33.962126
"537753"	1425.031063	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M-H+Cl"	33.962126
"930171"	486.331063	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-H+Cl"	33.962126
"272008"	1912.369402	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+Cl"	34.969402
"661634"	2851.069402	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+Cl"	34.969402
"1274279"	973.669402	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Cl"	34.969402
"17929"	1914.348606	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M-2H+K"	36.948606
"458582"	2853.048606	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M-2H+K"	36.948606
"833467"	975.648606	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-2H+K"	36.948606
"1566447"	975.648606	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+K-2H"	36.948606
"952506"	983.698194	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-H+HCOOH"	44.998194
"364522"	1922.398201	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+HCOOH-H"	44.998201
"354241"	1936.413851	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+Hac-H"	59.013851
"1500160"	997.713851	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Hac-H"	59.013851
"966607"	1005.680151	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-H+NaCOOH"	66.980151
"112604"	973.669402	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+2Cl"	69.938804
"552524"	1443.019402	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+2Cl"	69.938804
"1023874"	504.319402	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2Cl"	69.938804
"1245643"	1017.618885	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Br"	78.918885
"1307001"	1019.674872	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Cl+HCOOH"	80.974872
"1323766"	1041.656829	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Cl+NaCOOH"	102.956829
"917743"	1051.685586	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M-H+CF3COOH"	112.985586
"1296640"	1087.662264	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Cl+CF3COOH"	148.962264
"1371520"	903.687324	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H-2H2O"	-35.012676
"1386463"	921.6973	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H-H2O"	-17.0027
"289795"	1878.407276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+H"	1.007276
"678205"	2817.107276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+H"	1.007276
"1352732"	939.707276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H"	1.007276
"126591"	939.707276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+2H"	2.014552
"566509"	1409.057276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+2H"	2.014552
"1037167"	470.357276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2H"	2.014552
"205399"	626.807276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+3H"	3.021828
"645567"	939.707276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+3H"	3.021828
"1164299"	313.907276	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+3H"	3.021828
"424770"	1895.433823	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+NH4"	18.033823
"786256"	2834.133823	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+NH4"	18.033823
"1681411"	956.733823	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+NH4"	18.033823
"330101"	948.2205495	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+H+NH4"	19.041099
"737889"	1417.5705495	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+H+NH4"	19.041099
"1491098"	478.8705495	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H+NH4"	19.041099
"400298"	1900.389218	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+Na"	22.989218
"762387"	2839.089218	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+Na"	22.989218
"1616687"	961.689218	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Na"	22.989218
"322712"	950.698247	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+H+Na"	23.996494
"718422"	1420.048247	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+H+Na"	23.996494
"1475155"	481.348247	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H+Na"	23.996494
"1063298"	321.23459	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2H+Na"	25.00377
"1261700"	971.733486	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+CH3OH+H"	33.033486
"391211"	1916.363158	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+K"	38.963158
"752937"	2855.063158	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+K"	38.963158
"1550979"	977.663158	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+K"	38.963158
"309247"	958.685217	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+H+K"	39.970434
"699481"	1428.035217	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+H+K"	39.970434
"1456581"	489.335217	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H+K"	39.970434
"242995"	1919.433826	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+ACN+H"	42.033826
"1216797"	980.733826	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+ACN+H"	42.033826
"1201776"	490.870551	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+ACN+2H"	43.041102
"201576"	1922.37116	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+2Na-H"	44.97116
"642594"	2861.07116	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+2Na-H"	44.97116
"1139901"	983.67116	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2Na-H"	44.97116
"185743"	961.689218	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+2Na"	45.978436
"622751"	1431.039218	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+2Na"	45.978436
"1124071"	492.339218	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2Na"	45.978436
"1404313"	328.561904	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H+2Na"	46.985712
"1432421"	985.712746	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H+HCOOH"	47.012746
"222115"	966.72224	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+3H2O+2H"	56.04448
"1509080"	999.76479	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+IsoProp+H"	61.06479
"409863"	969.676188	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+Na+K"	61.952376
"771098"	1439.026188	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+Na+K"	61.952376
"1668649"	500.326188	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Na+K"	61.952376
"252491"	1941.415768	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+ACN+Na"	64.015768
"1227266"	1002.715768	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+ACN+Na"	64.015768
"1714578"	1002.739293	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+NH4+HCOOH"	64.039293
"1179691"	335.889218	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+3Na"	68.967654
"1653103"	1007.694688	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Na+HCOOH"	68.994688
"159970"	1954.31904	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+2K-H"	76.91904
"600011"	2893.01904	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+2K-H"	76.91904
"1087326"	1015.61904	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2K-H"	76.91904
"148883"	977.663158	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"2M+2K"	77.926316
"592819"	1447.013158	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"3M+2K"	77.926316
"1080611"	508.313158	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2K"	77.926316
"1109447"	1017.633592	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2K+H"	78.933592
"1350208"	1017.721207	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+DMSO+H"	79.021207
"1015456"	1021.760376	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2ACN+H"	83.060376
"1534674"	1022.754008	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+IsoProp+Na+H"	84.054008
"998934"	511.383826	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+2ACN+2H"	84.067652
"1596717"	1023.668628	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+K+HCOOH"	84.968628
"1418004"	1053.700138	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+H+CF3COOH"	115.000138
"1158133"	531.897101	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+3ACN+2H"	125.094202
"1701123"	1070.726685	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+NH4+CF3COOH"	132.026685
"1638966"	1075.68208	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+Na+CF3COOH"	136.98208
"1576804"	1091.65602	"C15955"	"Thermocryptoxanthin-15"	"C61H94O7"	"938.7"	"M+K+CF3COOH"	152.95602
"810453"	926.6636	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M"	0
"979614"	907.64521	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-H2O-H"	-19.01839
"72228"	616.768457333333	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M-3H"	-3.021828
"511789"	925.656324	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M-3H"	-3.021828
"891778"	307.880590666667	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-3H"	-3.021828
"9263"	925.656324	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M-2H"	-2.014552
"446634"	1388.988124	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M-2H"	-2.014552
"826623"	462.324524	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-2H"	-2.014552
"83340"	1852.319924	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M-H"	-1.007276
"521439"	2778.983524	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M-H"	-1.007276
"898514"	925.656324	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-H"	-1.007276
"52888"	1869.346471	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M-2H+NH4"	16.019271
"495728"	2796.010071	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M-2H+NH4"	16.019271
"866974"	942.682871	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-2H+NH4"	16.019271
"40344"	1874.301866	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M-2H+Na"	20.974666
"477717"	2800.965466	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M-2H+Na"	20.974666
"855521"	947.638266	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-2H+Na"	20.974666
"1625055"	947.638266	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Na-2H"	20.974666
"96482"	943.644663	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M-H+Cl"	33.962126
"537863"	1406.976463	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M-H+Cl"	33.962126
"928459"	480.312863	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-H+Cl"	33.962126
"271024"	1888.296602	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+Cl"	34.969402
"661377"	2814.960202	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+Cl"	34.969402
"1273294"	961.633002	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Cl"	34.969402
"17432"	1890.275806	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M-2H+K"	36.948606
"456505"	2816.939406	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M-2H+K"	36.948606
"832927"	963.612206	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-2H+K"	36.948606
"1561453"	963.612206	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+K-2H"	36.948606
"952252"	971.661794	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-H+HCOOH"	44.998194
"364268"	1898.325401	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+HCOOH-H"	44.998201
"348877"	1912.341051	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+Hac-H"	59.013851
"1495890"	985.677451	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Hac-H"	59.013851
"964528"	993.643751	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-H+NaCOOH"	66.980151
"112350"	961.633002	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+2Cl"	69.938804
"551660"	1424.964802	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+2Cl"	69.938804
"1023254"	498.301202	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2Cl"	69.938804
"1245021"	1005.582485	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Br"	78.918885
"1306382"	1007.638472	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Cl+HCOOH"	80.974872
"1322781"	1029.620429	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Cl+NaCOOH"	102.956829
"914573"	1039.649186	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M-H+CF3COOH"	112.985586
"1298937"	1075.625864	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Cl+CF3COOH"	148.962264
"1369445"	891.650924	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H-2H2O"	-35.012676
"1388033"	909.6609	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H-H2O"	-17.0027
"285533"	1854.334476	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+H"	1.007276
"676980"	2780.998076	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+H"	1.007276
"1353571"	927.670876	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H"	1.007276
"127429"	927.670876	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+2H"	2.014552
"566745"	1391.002676	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+2H"	2.014552
"1037264"	464.339076	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2H"	2.014552
"205267"	618.783009333333	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+3H"	3.021828
"645071"	927.670876	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+3H"	3.021828
"1162840"	309.895142666667	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+3H"	3.021828
"425855"	1871.361023	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+NH4"	18.033823
"785774"	2798.024623	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+NH4"	18.033823
"1681293"	944.697423	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+NH4"	18.033823
"330046"	936.1841495	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+H+NH4"	19.041099
"737757"	1399.5159495	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+H+NH4"	19.041099
"1491572"	472.8523495	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H+NH4"	19.041099
"400408"	1876.316418	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+Na"	22.989218
"762497"	2802.980018	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+Na"	22.989218
"1617161"	949.652818	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Na"	22.989218
"323915"	938.661847	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+H+Na"	23.996494
"722219"	1401.993647	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+H+Na"	23.996494
"1473441"	475.330047	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H+Na"	23.996494
"1062314"	317.222456666667	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2H+Na"	25.00377
"1263996"	959.697086	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+CH3OH+H"	33.033486
"385854"	1892.290358	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+K"	38.963158
"751954"	2818.953958	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+K"	38.963158
"1552912"	965.626758	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+K"	38.963158
"308264"	946.648817	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+H+K"	39.970434
"698498"	1409.980617	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+H+K"	39.970434
"1456691"	483.317017	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H+K"	39.970434
"242012"	1895.361026	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+ACN+H"	42.033826
"1220187"	968.697426	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+ACN+H"	42.033826
"1204802"	484.852351	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+ACN+2H"	43.041102
"200224"	1898.29836	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+2Na-H"	44.97116
"643067"	2824.96196	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+2Na-H"	44.97116
"1140012"	971.63476	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2Na-H"	44.97116
"182208"	949.652818	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+2Na"	45.978436
"621769"	1412.984618	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+2Na"	45.978436
"1121264"	486.321018	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2Na"	45.978436
"1402965"	324.549770666667	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H+2Na"	46.985712
"1439821"	973.676346	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H+HCOOH"	47.012746
"221860"	954.68584	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+3H2O+2H"	56.04448
"1510047"	987.72839	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+IsoProp+H"	61.06479
"411432"	957.639788	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+Na+K"	61.952376
"772065"	1420.971588	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+Na+K"	61.952376
"1667302"	494.307988	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Na+K"	61.952376
"254182"	1917.342968	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+ACN+Na"	64.015768
"1227256"	990.679368	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+ACN+Na"	64.015768
"1715056"	990.702893	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+NH4+HCOOH"	64.039293
"1180408"	331.877084666667	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+3Na"	68.967654
"1652120"	995.658288	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Na+HCOOH"	68.994688
"160809"	1930.24624	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+2K-H"	76.91904
"601099"	2856.90984	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+2K-H"	76.91904
"1087801"	1003.58264	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2K-H"	76.91904
"148993"	965.626758	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"2M+2K"	77.926316
"591836"	1428.958558	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"3M+2K"	77.926316
"1079628"	502.294958	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2K"	77.926316
"1109557"	1005.597192	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2K+H"	78.933592
"1348132"	1005.684807	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+DMSO+H"	79.021207
"1018485"	1009.723976	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2ACN+H"	83.060376
"1535880"	1010.717608	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+IsoProp+Na+H"	84.054008
"996860"	505.365626	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+2ACN+2H"	84.067652
"1596828"	1011.632228	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+K+HCOOH"	84.968628
"1422487"	1041.663738	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+H+CF3COOH"	115.000138
"1158243"	525.878901	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+3ACN+2H"	125.094202
"1702328"	1058.690285	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+NH4+CF3COOH"	132.026685
"1639076"	1063.64568	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+Na+CF3COOH"	136.98208
"1576914"	1079.61962	"C15956"	"Thermozeaxanthin-13"	"C59H90O8"	"926.6636"	"M+K+CF3COOH"	152.95602
"810563"	954.6949	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M"	0
"979724"	935.67651	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-H2O-H"	-19.01839
"69059"	635.455990666667	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M-3H"	-3.021828
"514087"	953.687624	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M-3H"	-3.021828
"890795"	317.224357333333	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-3H"	-3.021828
"8277"	953.687624	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M-2H"	-2.014552
"445651"	1431.035074	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M-2H"	-2.014552
"825639"	476.340174	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-2H"	-2.014552
"83449"	1908.382524	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M-H"	-1.007276
"520820"	2863.077424	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M-H"	-1.007276
"898623"	953.687624	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-H"	-1.007276
"49353"	1925.409071	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M-2H+NH4"	16.019271
"492558"	2880.103971	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M-2H+NH4"	16.019271
"869271"	970.714171	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-2H+NH4"	16.019271
"38267"	1930.364466	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M-2H+Na"	20.974666
"475641"	2885.059366	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M-2H+Na"	20.974666
"860004"	975.669566	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-2H+Na"	20.974666
"1622978"	975.669566	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Na-2H"	20.974666
"94640"	971.675963	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M-H+Cl"	33.962126
"536880"	1449.023413	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M-H+Cl"	33.962126
"927840"	494.328513	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-H+Cl"	33.962126
"269311"	1944.359202	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+Cl"	34.969402
"660276"	2899.054102	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+Cl"	34.969402
"1273406"	989.664302	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Cl"	34.969402
"16323"	1946.338406	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M-2H+K"	36.948606
"456490"	2901.033306	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M-2H+K"	36.948606
"832994"	991.643506	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-2H+K"	36.948606
"1556449"	991.643506	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+K-2H"	36.948606
"950540"	999.693094	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-H+HCOOH"	44.998194
"364012"	1954.388001	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+HCOOH-H"	44.998201
"348259"	1968.403651	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+Hac-H"	59.013851
"1494179"	1013.708751	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Hac-H"	59.013851
"964638"	1021.675051	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-H+NaCOOH"	66.980151
"112460"	989.664302	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+2Cl"	69.938804
"551284"	1467.011752	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+2Cl"	69.938804
"1022999"	512.316852	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2Cl"	69.938804
"1244767"	1033.613785	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Br"	78.918885
"1306128"	1035.669772	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Cl+HCOOH"	80.974872
"1322163"	1057.651729	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Cl+NaCOOH"	102.956829
"914683"	1067.680486	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M-H+CF3COOH"	112.985586
"1299047"	1103.657164	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Cl+CF3COOH"	148.962264
"1370648"	919.682224	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H-2H2O"	-35.012676
"1388143"	937.6922	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H-H2O"	-17.0027
"287829"	1910.397076	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+H"	1.007276
"676969"	2865.091976	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+H"	1.007276
"1353318"	955.702176	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H"	1.007276
"126811"	955.702176	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+2H"	2.014552
"566126"	1433.049626	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+2H"	2.014552
"1037065"	478.354726	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2H"	2.014552
"206471"	637.470542666667	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+3H"	3.021828
"645424"	955.702176	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+3H"	3.021828
"1162860"	319.238909333333	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+3H"	3.021828
"425604"	1927.423623	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+NH4"	18.033823
"785696"	2882.118523	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+NH4"	18.033823
"1681589"	972.728723	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+NH4"	18.033823
"330488"	964.2154495	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+H+NH4"	19.041099
"734583"	1441.5628995	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+H+NH4"	19.041099
"1489495"	486.8679995	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H+NH4"	19.041099
"400518"	1932.379018	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+Na"	22.989218
"757139"	2887.073918	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+Na"	22.989218
"1616178"	977.684118	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Na"	22.989218
"322932"	966.693147	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+H+Na"	23.996494
"720585"	1444.040597	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+H+Na"	23.996494
"1472458"	489.345697	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H+Na"	23.996494
"1062424"	326.566223333333	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2H+Na"	25.00377
"1264106"	987.728386	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+CH3OH+H"	33.033486
"384871"	1948.352958	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+K"	38.963158
"746960"	2903.047858	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+K"	38.963158
"1550106"	993.658058	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+K"	38.963158
"308374"	974.680117	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+H+K"	39.970434
"698608"	1452.027567	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+H+K"	39.970434
"1455708"	497.332667	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H+K"	39.970434
"241028"	1951.423626	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+ACN+H"	42.033826
"1219202"	996.728726	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+ACN+H"	42.033826
"1204548"	498.868001	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+ACN+2H"	43.041102
"199607"	1954.36096	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+2Na-H"	44.97116
"638804"	2909.05586	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+2Na-H"	44.97116
"1137572"	999.66606	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2Na-H"	44.97116
"184505"	977.684118	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+2Na"	45.978436
"618234"	1455.031568	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+2Na"	45.978436
"1122104"	500.336668	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2Na"	45.978436
"1404898"	333.893537333333	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H+2Na"	46.985712
"1438839"	1001.707646	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H+HCOOH"	47.012746
"224523"	982.71714	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+3H2O+2H"	56.04448
"1508776"	1015.75969	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+IsoProp+H"	61.06479
"412273"	985.671088	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+Na+K"	61.952376
"772174"	1463.018538	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+Na+K"	61.952376
"1669962"	508.323638	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Na+K"	61.952376
"253928"	1973.405568	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+ACN+Na"	64.015768
"1225633"	1018.710668	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+ACN+Na"	64.015768
"1713337"	1018.734193	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+NH4+HCOOH"	64.039293
"1180517"	341.220851333333	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+3Na"	68.967654
"1652229"	1023.689588	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Na+HCOOH"	68.994688
"157640"	1986.30884	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+2K-H"	76.91904
"601209"	2941.00374	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+2K-H"	76.91904
"1085845"	1031.61394	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2K-H"	76.91904
"147280"	993.658058	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"2M+2K"	77.926316
"591946"	1471.005508	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"3M+2K"	77.926316
"1076457"	516.310608	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2K"	77.926316
"1115015"	1033.628492	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2K+H"	78.933592
"1348971"	1033.716107	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+DMSO+H"	79.021207
"1017863"	1037.755276	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2ACN+H"	83.060376
"1535990"	1038.748908	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+IsoProp+Na+H"	84.054008
"999158"	519.381276	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+2ACN+2H"	84.067652
"1594752"	1039.663528	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+K+HCOOH"	84.968628
"1421504"	1069.695038	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+H+CF3COOH"	115.000138
"1156165"	539.894551	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+3ACN+2H"	125.094202
"1707904"	1086.721585	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+NH4+CF3COOH"	132.026685
"1639186"	1091.67698	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+Na+CF3COOH"	136.98208
"1573744"	1107.65092	"C15957"	"Thermozeaxanthin-15"	"C61H94O8"	"954.6949"	"M+K+CF3COOH"	152.95602
"810673"	982.7262	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M"	0
"980927"	963.70781	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-H2O-H"	-19.01839
"69169"	654.143524	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M-3H"	-3.021828
"513103"	981.718924	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M-3H"	-3.021828
"890905"	326.568124	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-3H"	-3.021828
"8387"	981.718924	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M-2H"	-2.014552
"446854"	1473.082024	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M-2H"	-2.014552
"825750"	490.355824	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-2H"	-2.014552
"79546"	1964.445124	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M-H"	-1.007276
"526399"	2947.171324	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M-H"	-1.007276
"902013"	981.718924	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-H"	-1.007276
"52013"	1981.471671	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M-2H+NH4"	16.019271
"487928"	2964.197871	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M-2H+NH4"	16.019271
"865367"	998.745471	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-2H+NH4"	16.019271
"33150"	1986.427066	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M-2H+Na"	20.974666
"475751"	2969.153266	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M-2H+Na"	20.974666
"849178"	1003.700866	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-2H+Na"	20.974666
"1620901"	1003.700866	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Na-2H"	20.974666
"94548"	999.707263	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M-H+Cl"	33.962126
"535167"	1491.070363	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M-H+Cl"	33.962126
"927380"	508.344163	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-H+Cl"	33.962126
"269057"	2000.421802	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+Cl"	34.969402
"659973"	2983.148002	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+Cl"	34.969402
"1272955"	1017.695602	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Cl"	34.969402
"15929"	2002.401006	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M-2H+K"	36.948606
"455736"	2985.127206	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M-2H+K"	36.948606
"832820"	1019.674806	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-2H+K"	36.948606
"1556199"	1019.674806	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+K-2H"	36.948606
"947368"	1027.724394	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-H+HCOOH"	44.998194
"362056"	2010.450601	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+HCOOH-H"	44.998201
"346910"	2024.466251	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+Hac-H"	59.013851
"1493311"	1041.740051	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Hac-H"	59.013851
"964748"	1049.706351	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-H+NaCOOH"	66.980151
"110021"	1017.695602	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+2Cl"	69.938804
"550009"	1509.058702	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+2Cl"	69.938804
"1021369"	526.332502	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2Cl"	69.938804
"1241328"	1061.645085	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Br"	78.918885
"1305132"	1063.701072	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Cl+HCOOH"	80.974872
"1322636"	1085.683029	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Cl+NaCOOH"	102.956829
"915886"	1095.711786	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M-H+CF3COOH"	112.985586
"1299157"	1131.688464	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Cl+CF3COOH"	148.962264
"1370758"	947.713524	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H-2H2O"	-35.012676
"1390439"	965.7235	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H-H2O"	-17.0027
"287939"	1966.459676	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+H"	1.007276
"677807"	2949.185876	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+H"	1.007276
"1353061"	983.733476	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H"	1.007276
"127407"	983.733476	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+2H"	2.014552
"566966"	1475.096576	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+2H"	2.014552
"1037296"	492.370376	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2H"	2.014552
"205853"	656.158076	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+3H"	3.021828
"645778"	983.733476	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+3H"	3.021828
"1163293"	328.582676	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+3H"	3.021828
"425713"	1983.486223	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+NH4"	18.033823
"786226"	2966.212423	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+NH4"	18.033823
"1682188"	1000.760023	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+NH4"	18.033823
"330468"	992.2467495	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+H+NH4"	19.041099
"735784"	1483.6098495	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+H+NH4"	19.041099
"1487416"	500.8836495	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H+NH4"	19.041099
"397348"	1988.441618	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+Na"	22.989218
"756519"	2971.167818	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+Na"	22.989218
"1616288"	1005.715418	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Na"	22.989218
"323041"	994.724447	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+H+Na"	23.996494
"718748"	1486.087547	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+H+Na"	23.996494
"1467100"	503.361347	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H+Na"	23.996494
"1058159"	335.90999	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2H+Na"	25.00377
"1262025"	1015.759686	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+CH3OH+H"	33.033486
"383887"	2004.415558	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+K"	38.963158
"745976"	2987.141758	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+K"	38.963158
"1549121"	1021.689358	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+K"	38.963158
"304107"	1002.711417	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+H+K"	39.970434
"696529"	1494.074517	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+H+K"	39.970434
"1452534"	511.348317	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H+K"	39.970434
"241136"	2007.486226	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+ACN+H"	42.033826
"1218219"	1024.760026	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+ACN+H"	42.033826
"1202835"	512.883651	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+ACN+2H"	43.041102
"197894"	2010.42356	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+2Na-H"	44.97116
"638913"	2993.14976	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+2Na-H"	44.97116
"1134400"	1027.69736	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2Na-H"	44.97116
"178418"	1005.715418	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+2Na"	45.978436
"615061"	1497.078518	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+2Na"	45.978436
"1115931"	514.352318	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2Na"	45.978436
"1399295"	343.237304	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H+2Na"	46.985712
"1432386"	1029.738946	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H+HCOOH"	47.012746
"222082"	1010.74844	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+3H2O+2H"	56.04448
"1509044"	1043.79099	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+IsoProp+H"	61.06479
"408841"	1013.702388	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+Na+K"	61.952376
"770534"	1505.065488	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+Na+K"	61.952376
"1665727"	522.339288	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Na+K"	61.952376
"251886"	2029.468168	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+ACN+Na"	64.015768
"1226254"	1046.741968	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+ACN+Na"	64.015768
"1713935"	1046.765493	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+NH4+HCOOH"	64.039293
"1179899"	350.564618	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+3Na"	68.967654
"1651612"	1051.720888	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Na+HCOOH"	68.994688
"158842"	2042.37144	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+2K-H"	76.91904
"598039"	3025.09764	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+2K-H"	76.91904
"1085100"	1059.64524	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2K-H"	76.91904
"142041"	1021.689358	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"2M+2K"	77.926316
"589868"	1513.052458	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"3M+2K"	77.926316
"1077660"	530.326258	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2K"	77.926316
"1110870"	1061.659792	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2K+H"	78.933592
"1342880"	1061.747407	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+DMSO+H"	79.021207
"1015786"	1065.786576	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2ACN+H"	83.060376
"1532818"	1066.780208	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+IsoProp+Na+H"	84.054008
"998174"	533.396926	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+2ACN+2H"	84.067652
"1595955"	1067.694828	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+K+HCOOH"	84.968628
"1422707"	1097.726338	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+H+CF3COOH"	115.000138
"1154088"	553.910201	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+3ACN+2H"	125.094202
"1704734"	1114.752885	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+NH4+CF3COOH"	132.026685
"1639296"	1119.70828	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+Na+CF3COOH"	136.98208
"1573854"	1135.68222	"C15958"	"Thermozeaxanthin-17"	"C63H98O8"	"982.7262"	"M+K+CF3COOH"	152.95602
"810783"	1284.8991	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M"	0
"981037"	1265.88071	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-H2O-H"	-19.01839
"70372"	855.592124	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M-3H"	-3.021828
"514306"	1283.891824	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M-3H"	-3.021828
"893930"	427.292424	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-3H"	-3.021828
"9590"	1283.891824	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M-2H"	-2.014552
"448057"	1926.341374	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M-2H"	-2.014552
"828046"	641.442274	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-2H"	-2.014552
"80019"	2568.790924	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M-H"	-1.007276
"526509"	3853.690024	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M-H"	-1.007276
"902123"	1283.891824	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-H"	-1.007276
"52123"	2585.817471	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M-2H+NH4"	16.019271
"488037"	3870.716571	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M-2H+NH4"	16.019271
"865234"	1300.918371	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-2H+NH4"	16.019271
"34111"	2590.772866	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M-2H+Na"	20.974666
"476954"	3875.671966	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M-2H+Na"	20.974666
"850502"	1305.873766	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-2H+Na"	20.974666
"1621011"	1305.873766	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Na-2H"	20.974666
"95350"	1301.880163	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M-H+Cl"	33.962126
"534783"	1944.329713	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M-H+Cl"	33.962126
"927448"	659.430613	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-H+Cl"	33.962126
"269166"	2604.767602	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+Cl"	34.969402
"660123"	3889.666702	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+Cl"	34.969402
"1272931"	1319.868502	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Cl"	34.969402
"16298"	2606.746806	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M-2H+K"	36.948606
"456591"	3891.645906	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M-2H+K"	36.948606
"834271"	1321.847706	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-2H+K"	36.948606
"1556349"	1321.847706	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+K-2H"	36.948606
"944560"	1329.897294	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-H+HCOOH"	44.998194
"362044"	2614.796401	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+HCOOH-H"	44.998201
"348113"	2628.812051	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+Hac-H"	59.013851
"1493172"	1343.912951	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Hac-H"	59.013851
"963031"	1351.879251	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-H+NaCOOH"	66.980151
"110599"	1319.868502	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+2Cl"	69.938804
"550648"	1962.318052	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+2Cl"	69.938804
"1021755"	677.418952	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2Cl"	69.938804
"1242185"	1363.817985	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Br"	78.918885
"1304757"	1365.873972	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Cl+HCOOH"	80.974872
"1322746"	1387.855929	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Cl+NaCOOH"	102.956829
"915996"	1397.884686	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M-H+CF3COOH"	112.985586
"1299267"	1433.861364	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Cl+CF3COOH"	148.962264
"1369775"	1249.886424	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H-2H2O"	-35.012676
"1389456"	1267.8964	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H-H2O"	-17.0027
"288049"	2570.805476	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+H"	1.007276
"678644"	3855.704576	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+H"	1.007276
"1353171"	1285.906376	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H"	1.007276
"126788"	1285.906376	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+2H"	2.014552
"567075"	1928.355926	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+2H"	2.014552
"1037696"	643.456826	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2H"	2.014552
"205353"	857.606676	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+3H"	3.021828
"647712"	1285.906376	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+3H"	3.021828
"1163163"	429.306976	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+3H"	3.021828
"425213"	2587.832023	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+NH4"	18.033823
"785808"	3872.731123	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+NH4"	18.033823
"1681449"	1302.932923	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+NH4"	18.033823
"330134"	1294.4196495	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+H+NH4"	19.041099
"737717"	1936.8691995	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+H+NH4"	19.041099
"1488619"	651.9700995	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H+NH4"	19.041099
"398551"	2592.787418	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+Na"	22.989218
"756994"	3877.686518	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+Na"	22.989218
"1614210"	1307.888318	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Na"	22.989218
"323150"	1296.897347	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+H+Na"	23.996494
"718857"	1939.346897	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+H+Na"	23.996494
"1470489"	654.447797	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H+Na"	23.996494
"1059362"	436.63429	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2H+Na"	25.00377
"1266509"	1317.932586	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+CH3OH+H"	33.033486
"381810"	2608.761358	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+K"	38.963158
"744992"	3893.660458	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+K"	38.963158
"1551417"	1323.862258	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+K"	38.963158
"308590"	1304.884317	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+H+K"	39.970434
"698825"	1947.333867	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+H+K"	39.970434
"1454831"	662.434767	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H+K"	39.970434
"244525"	2611.832026	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+ACN+H"	42.033826
"1213954"	1326.932926	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+ACN+H"	42.033826
"1198570"	663.970101	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+ACN+2H"	43.041102
"195087"	2614.76936	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+2Na-H"	44.97116
"633556"	3899.66846	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+2Na-H"	44.97116
"1135238"	1329.87026	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2Na-H"	44.97116
"180352"	1307.888318	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+2Na"	45.978436
"614443"	1950.337868	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+2Na"	45.978436
"1117949"	665.438768	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2Na"	45.978436
"1399080"	443.961604	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H+2Na"	46.985712
"1430505"	1331.911846	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H+HCOOH"	47.012746
"221097"	1312.92134	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+3H2O+2H"	56.04448
"1508542"	1345.96389	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+IsoProp+H"	61.06479
"408604"	1315.875288	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+Na+K"	61.952376
"770237"	1958.324838	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+Na+K"	61.952376
"1665626"	673.425738	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Na+K"	61.952376
"251548"	2633.813968	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+ACN+Na"	64.015768
"1225993"	1348.914868	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+ACN+Na"	64.015768
"1715381"	1348.938393	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+NH4+HCOOH"	64.039293
"1181832"	451.288918	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+3Na"	68.967654
"1651724"	1353.893788	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Na+HCOOH"	68.994688
"158586"	2646.71724	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+2K-H"	76.91904
"599969"	3931.61634	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+2K-H"	76.91904
"1085574"	1361.81814	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2K-H"	76.91904
"143122"	1323.862258	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"2M+2K"	77.926316
"589977"	1966.311808	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"3M+2K"	77.926316
"1075582"	681.412708	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2K"	77.926316
"1108793"	1363.832692	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2K+H"	78.933592
"1344083"	1363.920307	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+DMSO+H"	79.021207
"1014802"	1367.959476	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2ACN+H"	83.060376
"1537300"	1368.953108	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+IsoProp+Na+H"	84.054008
"997190"	684.483376	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+2ACN+2H"	84.067652
"1592785"	1369.867728	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+K+HCOOH"	84.968628
"1420631"	1399.899238	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+H+CF3COOH"	115.000138
"1149823"	704.996651	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+3ACN+2H"	125.094202
"1699376"	1416.925785	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+NH4+CF3COOH"	132.026685
"1634157"	1421.88118	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+Na+CF3COOH"	136.98208
"1571654"	1437.85512	"C15959"	"Thermobiszeaxanthin-13-13"	"C78H124O14"	"1284.8991"	"M+K+CF3COOH"	152.95602
"814176"	1312.9304	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M"	0
"988803"	1293.91201	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-H2O-H"	-19.01839
"74859"	874.279657333333	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M-3H"	-3.021828
"513325"	1311.923124	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M-3H"	-3.021828
"893313"	436.636190666667	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-3H"	-3.021828
"4237"	1311.923124	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M-2H"	-2.014552
"442701"	1968.388324	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M-2H"	-2.014552
"820502"	655.457924	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-2H"	-2.014552
"87059"	2624.853524	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M-H"	-1.007276
"527713"	3937.783924	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M-H"	-1.007276
"898954"	1311.923124	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-H"	-1.007276
"50051"	2641.880071	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M-2H+NH4"	16.019271
"489853"	3954.810471	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M-2H+NH4"	16.019271
"876898"	1328.949671	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-2H+NH4"	16.019271
"45164"	2646.835466	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M-2H+Na"	20.974666
"484724"	3959.765866	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M-2H+Na"	20.974666
"859244"	1333.905066	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-2H+Na"	20.974666
"1625498"	1333.905066	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Na-2H"	20.974666
"103119"	1329.911463	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M-H+Cl"	33.962126
"541584"	1986.376663	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M-H+Cl"	33.962126
"932912"	673.446263	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-H+Cl"	33.962126
"271833"	2660.830202	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+Cl"	34.969402
"660850"	3973.760602	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+Cl"	34.969402
"1277754"	1347.899802	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Cl"	34.969402
"19944"	2662.809406	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M-2H+K"	36.948606
"457682"	3975.739806	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M-2H+K"	36.948606
"834392"	1349.879006	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-2H+K"	36.948606
"1562990"	1349.879006	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+K-2H"	36.948606
"950873"	1357.928594	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-H+HCOOH"	44.998194
"367995"	2670.859001	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+HCOOH-H"	44.998201
"350782"	2684.874651	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+Hac-H"	59.013851
"1494152"	1371.944251	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Hac-H"	59.013851
"961692"	1379.910551	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-H+NaCOOH"	66.980151
"110591"	1347.899802	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+2Cl"	69.938804
"552707"	2004.365002	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+2Cl"	69.938804
"1023329"	691.434602	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2Cl"	69.938804
"1249479"	1391.849285	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Br"	78.918885
"1311927"	1393.905272	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Cl+HCOOH"	80.974872
"1326144"	1415.887229	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Cl+NaCOOH"	102.956829
"918296"	1425.915986	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M-H+CF3COOH"	112.985586
"1299377"	1461.892664	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Cl+CF3COOH"	148.962264
"1375353"	1277.917724	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H-2H2O"	-35.012676
"1389568"	1295.9277	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H-H2O"	-17.0027
"285247"	2626.868076	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+H"	1.007276
"678398"	3939.798476	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+H"	1.007276
"1358026"	1313.937676	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H"	1.007276
"130913"	1313.937676	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+2H"	2.014552
"572657"	1970.402876	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+2H"	2.014552
"1040362"	657.472476	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2H"	2.014552
"210450"	876.294209333333	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+3H"	3.021828
"645636"	1313.937676	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+3H"	3.021828
"1162784"	438.650742666667	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+3H"	3.021828
"428130"	2643.894623	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+NH4"	18.033823
"786327"	3956.825023	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+NH4"	18.033823
"1696402"	1330.964223	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+NH4"	18.033823
"345253"	1322.4509495	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+H+NH4"	19.041099
"738283"	1978.9161495	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+H+NH4"	19.041099
"1492585"	665.9857495	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H+NH4"	19.041099
"408226"	2648.850018	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+Na"	22.989218
"768410"	3961.780418	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+Na"	22.989218
"1616146"	1335.919618	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Na"	22.989218
"325457"	1324.928647	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+H+Na"	23.996494
"718973"	1981.393847	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+H+Na"	23.996494
"1471699"	668.463447	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H+Na"	23.996494
"1061665"	445.978056666667	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2H+Na"	25.00377
"1268814"	1345.963886	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+CH3OH+H"	33.033486
"388484"	2664.823958	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+K"	38.963158
"748387"	3977.754358	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+K"	38.963158
"1552990"	1351.893558	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+K"	38.963158
"310892"	1332.915617	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+H+K"	39.970434
"700032"	1989.380817	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+H+K"	39.970434
"1454945"	676.450417	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H+K"	39.970434
"241359"	2667.894626	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+ACN+H"	42.033826
"1215526"	1354.964226	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+ACN+H"	42.033826
"1202328"	677.985751	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+ACN+2H"	43.041102
"198482"	2670.83196	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+2Na-H"	44.97116
"634759"	3983.76236	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+2Na-H"	44.97116
"1134255"	1357.90156	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2Na-H"	44.97116
"176816"	1335.919618	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+2Na"	45.978436
"614918"	1992.384818	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+2Na"	45.978436
"1116599"	679.454418	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2Na"	45.978436
"1398905"	453.305370666667	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H+2Na"	46.985712
"1431877"	1359.943146	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H+HCOOH"	47.012746
"223031"	1340.95264	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+3H2O+2H"	56.04448
"1510364"	1373.99519	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+IsoProp+H"	61.06479
"408708"	1343.906588	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+Na+K"	61.952376
"772140"	2000.371788	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+Na+K"	61.952376
"1666152"	687.441388	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Na+K"	61.952376
"257181"	2689.876568	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+ACN+Na"	64.015768
"1232077"	1376.946168	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+ACN+Na"	64.015768
"1717682"	1376.969693	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+NH4+HCOOH"	64.039293
"1181217"	460.632684666667	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+3Na"	68.967654
"1654027"	1381.925088	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Na+HCOOH"	68.994688
"160886"	2702.77984	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+2K-H"	76.91904
"599354"	4015.71024	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+2K-H"	76.91904
"1090430"	1389.84944	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2K-H"	76.91904
"154178"	1351.893558	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"2M+2K"	77.926316
"593370"	2008.358758	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"3M+2K"	77.926316
"1081893"	695.428358	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2K"	77.926316
"1113646"	1391.863992	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2K+H"	78.933592
"1345295"	1391.951607	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+DMSO+H"	79.021207
"1016742"	1395.990776	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2ACN+H"	83.060376
"1534134"	1396.984408	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+IsoProp+Na+H"	84.054008
"998392"	698.499026	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+2ACN+2H"	84.067652
"1596175"	1397.899028	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+K+HCOOH"	84.968628
"1422931"	1427.930538	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+H+CF3COOH"	115.000138
"1154313"	719.012301	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+3ACN+2H"	125.094202
"1708238"	1444.957085	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+NH4+CF3COOH"	132.026685
"1642802"	1449.91248	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+Na+CF3COOH"	136.98208
"1580639"	1465.88642	"C15963"	"Thermobiszeaxanthin-13-15"	"C80H128O14"	"1312.9304"	"M+K+CF3COOH"	152.95602
"811006"	1340.9617	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M"	0
"977977"	1321.94331	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-H2O-H"	-19.01839
"67677"	892.967190666667	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M-3H"	-3.021828
"513435"	1339.954424	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M-3H"	-3.021828
"885769"	445.979957333333	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-3H"	-3.021828
"3253"	1339.954424	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M-2H"	-2.014552
"440624"	2010.435274	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M-2H"	-2.014552
"817331"	669.473574	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-2H"	-2.014552
"87169"	2680.916124	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M-H"	-1.007276
"527823"	4021.877824	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M-H"	-1.007276
"896147"	1339.954424	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-H"	-1.007276
"47482"	2697.942671	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M-2H+NH4"	16.019271
"489721"	4038.904371	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M-2H+NH4"	16.019271
"875915"	1356.980971	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-2H+NH4"	16.019271
"43086"	2702.898066	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M-2H+Na"	20.974666
"484835"	4043.859766	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M-2H+Na"	20.974666
"860448"	1361.936366	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-2H+Na"	20.974666
"1626702"	1361.936366	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Na-2H"	20.974666
"105415"	1357.942763	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M-H+Cl"	33.962126
"541694"	2028.423613	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M-H+Cl"	33.962126
"933386"	687.461913	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-H+Cl"	33.962126
"271579"	2716.892802	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+Cl"	34.969402
"664730"	4057.854502	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+Cl"	34.969402
"1277500"	1375.931102	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Cl"	34.969402
"20783"	2718.872006	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M-2H+K"	36.948606
"457793"	4059.833706	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M-2H+K"	36.948606
"834866"	1377.910306	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-2H+K"	36.948606
"1563100"	1377.910306	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+K-2H"	36.948606
"950983"	1385.959894	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-H+HCOOH"	44.998194
"368105"	2726.921601	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+HCOOH-H"	44.998201
"353079"	2740.937251	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+Hac-H"	59.013851
"1494259"	1399.975551	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Hac-H"	59.013851
"959978"	1407.941851	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-H+NaCOOH"	66.980151
"110182"	1375.931102	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+2Cl"	69.938804
"550258"	2046.411952	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+2Cl"	69.938804
"1021449"	705.450252	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2Cl"	69.938804
"1241930"	1419.880585	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Br"	78.918885
"1304618"	1421.936572	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Cl+HCOOH"	80.974872
"1321146"	1443.918529	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Cl+NaCOOH"	102.956829
"916217"	1453.947286	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M-H+CF3COOH"	112.985586
"1292926"	1489.923964	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Cl+CF3COOH"	148.962264
"1369993"	1305.949024	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H-2H2O"	-35.012676
"1386395"	1323.959	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H-H2O"	-17.0027
"283895"	2682.930676	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+H"	1.007276
"678506"	4023.892376	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+H"	1.007276
"1354853"	1341.968976	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H"	1.007276
"128835"	1341.968976	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+2H"	2.014552
"565772"	2012.449826	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+2H"	2.014552
"1037075"	671.488126	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2H"	2.014552
"204399"	894.981742666667	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+3H"	3.021828
"645015"	1341.968976	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+3H"	3.021828
"1163008"	447.994509333333	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+3H"	3.021828
"424591"	2699.957223	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+NH4"	18.033823
"785829"	4040.918923	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+NH4"	18.033823
"1695783"	1358.995523	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+NH4"	18.033823
"345156"	1350.4822495	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+H+NH4"	19.041099
"738027"	2020.9630995	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+H+NH4"	19.041099
"1489941"	680.0013995	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H+NH4"	19.041099
"404972"	2704.912618	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+Na"	22.989218
"765237"	4045.874318	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+Na"	22.989218
"1614430"	1363.950918	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Na"	22.989218
"326660"	1352.959947	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+H+Na"	23.996494
"719083"	2023.440797	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+H+Na"	23.996494
"1473996"	682.479097	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H+Na"	23.996494
"1063962"	455.321823333333	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2H+Na"	25.00377
"1268924"	1373.995186	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+CH3OH+H"	33.033486
"387500"	2720.886558	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+K"	38.963158
"749590"	4061.848258	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+K"	38.963158
"1550548"	1379.924858	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+K"	38.963158
"309908"	1360.946917	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+H+K"	39.970434
"700142"	2031.427767	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+H+K"	39.970434
"1455055"	690.466067	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H+K"	39.970434
"239647"	2723.957226	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+ACN+H"	42.033826
"1215636"	1382.995526	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+ACN+H"	42.033826
"1205718"	692.001401	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+ACN+2H"	43.041102
"197499"	2726.89456	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+2Na-H"	44.97116
"634505"	4067.85626	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+2Na-H"	44.97116
"1135459"	1385.93286	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2Na-H"	44.97116
"175468"	1363.950918	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+2Na"	45.978436
"614054"	2034.431768	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+2Na"	45.978436
"1117078"	693.470068	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2Na"	45.978436
"1403517"	462.649137333333	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H+2Na"	46.985712
"1434173"	1387.974446	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H+HCOOH"	47.012746
"223869"	1368.98394	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+3H2O+2H"	56.04448
"1511568"	1402.02649	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+IsoProp+H"	61.06479
"409430"	1371.937888	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+Na+K"	61.952376
"772613"	2042.418738	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+Na+K"	61.952376
"1665665"	701.457038	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Na+K"	61.952376
"256198"	2745.939168	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+ACN+Na"	64.015768
"1230000"	1404.977468	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+ACN+Na"	64.015768
"1716699"	1405.000993	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+NH4+HCOOH"	64.039293
"1180234"	469.976451333333	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+3Na"	68.967654
"1654137"	1409.956388	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Na+HCOOH"	68.994688
"158810"	2758.84244	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+2K-H"	76.91904
"598005"	4099.80414	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+2K-H"	76.91904
"1090904"	1417.88074	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2K-H"	76.91904
"155013"	1379.924858	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"2M+2K"	77.926316
"593480"	2050.405708	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"3M+2K"	77.926316
"1082003"	709.444008	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2K"	77.926316
"1112296"	1419.895292	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2K+H"	78.933592
"1346497"	1419.982907	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+DMSO+H"	79.021207
"1018305"	1424.022076	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2ACN+H"	83.060376
"1533151"	1425.015708	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+IsoProp+Na+H"	84.054008
"998502"	712.514676	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+2ACN+2H"	84.067652
"1596285"	1425.930328	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+K+HCOOH"	84.968628
"1420854"	1455.961838	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+H+CF3COOH"	115.000138
"1151507"	733.027951	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+3ACN+2H"	125.094202
"1705068"	1472.988385	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+NH4+CF3COOH"	132.026685
"1642912"	1477.94378	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+Na+CF3COOH"	136.98208
"1580749"	1493.91772	"C15964"	"Thermobiszeaxanthin-15-15"	"C82H132O14"	"1340.9617"	"M+K+CF3COOH"	152.95602
"811116"	566.4124	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M"	0
"974807"	547.39401	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H2O-H"	-19.01839
"67423"	376.600990666667	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-3H"	-3.021828
"510265"	565.405124	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-3H"	-3.021828
"888066"	187.796857333333	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-3H"	-3.021828
"3363"	565.405124	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H"	-2.014552
"440029"	848.611324	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H"	-2.014552
"817196"	282.198924	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H"	-2.014552
"89467"	1131.817524	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-H"	-1.007276
"527933"	1698.229924	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-H"	-1.007276
"897593"	565.405124	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H"	-1.007276
"49174"	1148.844071	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H+NH4"	16.019271
"488738"	1715.256471	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H+NH4"	16.019271
"877361"	582.431671	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H+NH4"	16.019271
"43196"	1153.799466	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H+Na"	20.974666
"483852"	1720.211866	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H+Na"	20.974666
"860558"	587.387066	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H+Na"	20.974666
"1627905"	587.387066	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na-2H"	20.974666
"105525"	583.393463	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-H+Cl"	33.962126
"541804"	866.599663	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-H+Cl"	33.962126
"933132"	300.187263	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+Cl"	33.962126
"271689"	1167.794202	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Cl"	34.969402
"664112"	1734.206602	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+Cl"	34.969402
"1279798"	601.381802	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl"	34.969402
"24539"	1169.773406	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H+K"	36.948606
"457540"	1736.185806	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H+K"	36.948606
"834246"	603.361006	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H+K"	36.948606
"1562116"	603.361006	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K-2H"	36.948606
"948905"	611.410594	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+HCOOH"	44.998194
"370401"	1177.823001	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+HCOOH-H"	44.998201
"348086"	1191.838651	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Hac-H"	59.013851
"1494370"	625.426251	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Hac-H"	59.013851
"960088"	633.392551	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+NaCOOH"	66.980151
"110113"	601.381802	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2Cl"	69.938804
"550068"	884.588002	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2Cl"	69.938804
"1021888"	318.175602	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2Cl"	69.938804
"1243862"	645.331285	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Br"	78.918885
"1304567"	647.387272	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl+HCOOH"	80.974872
"1321621"	669.369229	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl+NaCOOH"	102.956829
"911577"	679.397986	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+CF3COOH"	112.985586
"1294129"	715.374664	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl+CF3COOH"	148.962264
"1369010"	531.399724	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H-2H2O"	-35.012676
"1382854"	549.4097	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H-H2O"	-17.0027
"284371"	1133.832076	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H"	1.007276
"677885"	1700.244476	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H"	1.007276
"1354963"	567.419676	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H"	1.007276
"127851"	567.419676	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2H"	2.014552
"569596"	850.625876	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2H"	2.014552
"1037786"	284.213476	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2H"	2.014552
"205193"	378.615542666667	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+3H"	3.021828
"644236"	567.419676	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+3H"	3.021828
"1164332"	189.811409333333	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+3H"	3.021828
"424496"	1150.858623	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+NH4"	18.033823
"785717"	1717.271023	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+NH4"	18.033823
"1695894"	584.446223	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+NH4"	18.033823
"344296"	575.9329495	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H+NH4"	19.041099
"737934"	859.1391495	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H+NH4"	19.041099
"1491995"	292.7267495	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+NH4"	19.041099
"405811"	1155.814018	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Na"	22.989218
"765346"	1722.226418	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+Na"	22.989218
"1614540"	589.401618	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na"	22.989218
"324578"	578.410647	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H+Na"	23.996494
"719191"	861.616847	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H+Na"	23.996494
"1471918"	295.204447	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+Na"	23.996494
"1066985"	197.138723333333	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2H+Na"	25.00377
"1264659"	599.445886	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+CH3OH+H"	33.033486
"385419"	1171.787958	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+K"	38.963158
"745323"	1738.200358	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+K"	38.963158
"1550656"	605.375558	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K"	38.963158
"308924"	586.397617	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H+K"	39.970434
"698065"	869.603817	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H+K"	39.970434
"1451884"	303.191417	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+K"	39.970434
"240484"	1174.858626	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+ACN+H"	42.033826
"1216475"	608.446226	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+ACN+H"	42.033826
"1205828"	304.726751	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+ACN+2H"	43.041102
"198701"	1177.79596	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2Na-H"	44.97116
"634616"	1744.20836	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2Na-H"	44.97116
"1137758"	611.38356	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2Na-H"	44.97116
"181776"	589.401618	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2Na"	45.978436
"613801"	872.607818	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2Na"	45.978436
"1124843"	306.195418	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2Na"	45.978436
"1402902"	204.466037333333	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+2Na"	46.985712
"1442304"	613.425146	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+HCOOH"	47.012746
"220821"	594.43464	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+3H2O+2H"	56.04448
"1508962"	627.47719	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+IsoProp+H"	61.06479
"409176"	597.388588	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Na+K"	61.952376
"770616"	880.594788	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+Na+K"	61.952376
"1665609"	314.182388	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na+K"	61.952376
"255215"	1196.840568	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+ACN+Na"	64.015768
"1231203"	630.428168	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+ACN+Na"	64.015768
"1716809"	630.451693	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+NH4+HCOOH"	64.039293
"1181073"	211.793351333333	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+3Na"	68.967654
"1654247"	635.407088	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na+HCOOH"	68.994688
"158555"	1209.74384	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2K-H"	76.91904
"602857"	1776.15624	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2K-H"	76.91904
"1093931"	643.33144	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2K-H"	76.91904
"154028"	605.375558	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2K"	77.926316
"593589"	888.581758	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2K"	77.926316
"1081020"	322.169358	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2K"	77.926316
"1113134"	645.345992	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2K+H"	78.933592
"1344421"	645.433607	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+DMSO+H"	79.021207
"1014043"	649.472776	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2ACN+H"	83.060376
"1533260"	650.466408	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+IsoProp+Na+H"	84.054008
"1000799"	325.240026	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2ACN+2H"	84.067652
"1598583"	651.381028	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K+HCOOH"	84.968628
"1424245"	681.412538	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+CF3COOH"	115.000138
"1157814"	345.753301	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+3ACN+2H"	125.094202
"1705178"	698.439085	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+NH4+CF3COOH"	132.026685
"1643022"	703.39448	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na+CF3COOH"	136.98208
"1580859"	719.36842	"C15965"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K+CF3COOH"	152.95602
"811226"	566.4124	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M"	0
"974957"	547.39401	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H2O-H"	-19.01839
"67533"	376.600990666667	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-3H"	-3.021828
"508188"	565.405124	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-3H"	-3.021828
"885990"	187.796857333333	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-3H"	-3.021828
"3473"	565.405124	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H"	-2.014552
"441940"	848.611324	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H"	-2.014552
"817509"	282.198924	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H"	-2.014552
"89577"	1131.817524	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-H"	-1.007276
"524763"	1698.229924	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-H"	-1.007276
"898190"	565.405124	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H"	-1.007276
"50742"	1148.844071	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H+NH4"	16.019271
"489576"	1715.256471	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H+NH4"	16.019271
"876499"	582.431671	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H+NH4"	16.019271
"44884"	1153.799466	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H+Na"	20.974666
"485541"	1720.211866	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H+Na"	20.974666
"862126"	587.387066	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H+Na"	20.974666
"1628015"	587.387066	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na-2H"	20.974666
"101261"	583.393463	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-H+Cl"	33.962126
"538633"	866.599663	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-H+Cl"	33.962126
"927772"	300.187263	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+Cl"	33.962126
"267239"	1167.794202	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Cl"	34.969402
"665317"	1734.206602	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+Cl"	34.969402
"1284282"	601.381802	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl"	34.969402
"26837"	1169.773406	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M-2H+K"	36.948606
"466398"	1736.185806	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M-2H+K"	36.948606
"834358"	603.361006	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-2H+K"	36.948606
"1561132"	603.361006	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K-2H"	36.948606
"949015"	611.410594	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+HCOOH"	44.998194
"370511"	1177.823001	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+HCOOH-H"	44.998201
"350019"	1191.838651	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Hac-H"	59.013851
"1493630"	625.426251	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Hac-H"	59.013851
"962022"	633.392551	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+NaCOOH"	66.980151
"110317"	601.381802	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2Cl"	69.938804
"550118"	884.588002	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2Cl"	69.938804
"1022205"	318.175602	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2Cl"	69.938804
"1241785"	645.331285	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Br"	78.918885
"1304181"	647.387272	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl+HCOOH"	80.974872
"1320638"	669.369229	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl+NaCOOH"	102.956829
"911493"	679.397986	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M-H+CF3COOH"	112.985586
"1293146"	715.374664	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Cl+CF3COOH"	148.962264
"1369119"	531.399724	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H-2H2O"	-35.012676
"1384064"	549.4097	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H-H2O"	-17.0027
"283388"	1133.832076	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H"	1.007276
"676172"	1700.244476	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H"	1.007276
"1352886"	567.419676	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H"	1.007276
"126501"	567.419676	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2H"	2.014552
"569706"	850.625876	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2H"	2.014552
"1038260"	284.213476	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2H"	2.014552
"204346"	378.615542666667	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+3H"	3.021828
"644350"	567.419676	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+3H"	3.021828
"1163476"	189.811409333333	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+3H"	3.021828
"424687"	1150.858623	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+NH4"	18.033823
"786295"	1717.271023	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+NH4"	18.033823
"1695881"	584.446223	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+NH4"	18.033823
"341729"	575.9329495	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H+NH4"	19.041099
"738044"	859.1391495	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H+NH4"	19.041099
"1491497"	292.7267495	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+NH4"	19.041099
"405557"	1155.814018	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Na"	22.989218
"767523"	1722.226418	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+Na"	22.989218
"1610273"	589.401618	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na"	22.989218
"323591"	578.410647	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H+Na"	23.996494
"714924"	861.616847	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H+Na"	23.996494
"1473120"	295.204447	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+Na"	23.996494
"1066244"	197.138723333333	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2H+Na"	25.00377
"1264767"	599.445886	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+CH3OH+H"	33.033486
"383343"	1171.787958	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+K"	38.963158
"744340"	1738.200358	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+K"	38.963158
"1550766"	605.375558	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K"	38.963158
"307941"	586.397617	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+H+K"	39.970434
"698175"	869.603817	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+H+K"	39.970434
"1451994"	303.191417	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+K"	39.970434
"236585"	1174.858626	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+ACN+H"	42.033826
"1215856"	608.446226	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+ACN+H"	42.033826
"1204845"	304.726751	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+ACN+2H"	43.041102
"199902"	1177.79596	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2Na-H"	44.97116
"637277"	1744.20836	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2Na-H"	44.97116
"1139691"	611.38356	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2Na-H"	44.97116
"180792"	589.401618	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2Na"	45.978436
"613911"	872.607818	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2Na"	45.978436
"1121308"	306.195418	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2Na"	45.978436
"1401550"	204.466037333333	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+2Na"	46.985712
"1437311"	613.425146	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+HCOOH"	47.012746
"221904"	594.43464	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+3H2O+2H"	56.04448
"1509113"	627.47719	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+IsoProp+H"	61.06479
"410380"	597.388588	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+Na+K"	61.952376
"771010"	880.594788	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+Na+K"	61.952376
"1665921"	314.182388	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na+K"	61.952376
"252158"	1196.840568	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+ACN+Na"	64.015768
"1228033"	630.428168	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+ACN+Na"	64.015768
"1715826"	630.451693	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+NH4+HCOOH"	64.039293
"1180090"	211.793351333333	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+3Na"	68.967654
"1651441"	635.407088	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na+HCOOH"	68.994688
"157937"	1209.74384	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2K-H"	76.91904
"602967"	1776.15624	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2K-H"	76.91904
"1091125"	643.33144	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2K-H"	76.91904
"151951"	605.375558	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"2M+2K"	77.926316
"586045"	888.581758	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"3M+2K"	77.926316
"1077121"	322.169358	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2K"	77.926316
"1111057"	645.345992	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2K+H"	78.933592
"1342344"	645.433607	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+DMSO+H"	79.021207
"1011967"	649.472776	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2ACN+H"	83.060376
"1531184"	650.466408	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+IsoProp+Na+H"	84.054008
"1000909"	325.240026	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+2ACN+2H"	84.067652
"1596506"	651.381028	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K+HCOOH"	84.968628
"1424355"	681.412538	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+H+CF3COOH"	115.000138
"1148811"	345.753301	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+3ACN+2H"	125.094202
"1705288"	698.439085	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+NH4+CF3COOH"	132.026685
"1643132"	703.39448	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+Na+CF3COOH"	136.98208
"1580969"	719.36842	"C15966"	"3-Hydroxyechinenone"	"C40H54O2"	"566.4124"	"M+K+CF3COOH"	152.95602
"808056"	580.3916	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M"	0
"974258"	561.37321	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-H2O-H"	-19.01839
"67643"	385.920457333333	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M-3H"	-3.021828
"510485"	579.384324	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M-3H"	-3.021828
"887193"	192.456590666667	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-3H"	-3.021828
"3582"	579.384324	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M-2H"	-2.014552
"444236"	869.580124	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M-2H"	-2.014552
"818878"	289.188524	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-2H"	-2.014552
"90781"	1159.775924	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M-H"	-1.007276
"523051"	1740.167524	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M-H"	-1.007276
"897571"	579.384324	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-H"	-1.007276
"50488"	1176.802471	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M-2H+NH4"	16.019271
"491144"	1757.194071	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M-2H+NH4"	16.019271
"876607"	596.410871	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-2H+NH4"	16.019271
"42320"	1181.757866	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M-2H+Na"	20.974666
"486263"	1762.149466	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M-2H+Na"	20.974666
"863330"	601.366266	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-2H+Na"	20.974666
"1631404"	601.366266	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Na-2H"	20.974666
"101371"	597.372663	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M-H+Cl"	33.962126
"537650"	887.568463	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M-H+Cl"	33.962126
"927882"	307.176863	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-H+Cl"	33.962126
"267651"	1195.752602	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+Cl"	34.969402
"668707"	1776.144202	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+Cl"	34.969402
"1287434"	615.361002	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Cl"	34.969402
"29133"	1197.731806	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M-2H+K"	36.948606
"465415"	1778.123406	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M-2H+K"	36.948606
"834836"	617.340206	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-2H+K"	36.948606
"1563429"	617.340206	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+K-2H"	36.948606
"945845"	625.389794	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-H+HCOOH"	44.998194
"364061"	1205.781401	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+HCOOH-H"	44.998201
"346848"	1219.797051	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+Hac-H"	59.013851
"1494591"	639.405451	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Hac-H"	59.013851
"966507"	647.371751	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-H+NaCOOH"	66.980151
"112132"	615.361002	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+2Cl"	69.938804
"559347"	905.556802	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+2Cl"	69.938804
"1027054"	325.165202	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2Cl"	69.938804
"1241896"	659.310485	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Br"	78.918885
"1306166"	661.366472	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Cl+HCOOH"	80.974872
"1320748"	683.348429	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Cl+NaCOOH"	102.956829
"911927"	693.377186	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M-H+CF3COOH"	112.985586
"1291069"	729.353864	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Cl+CF3COOH"	148.962264
"1367523"	545.378924	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H-2H2O"	-35.012676
"1385633"	563.3889	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H-H2O"	-17.0027
"285319"	1161.790476	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+H"	1.007276
"678836"	1742.182076	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+H"	1.007276
"1356277"	581.398876	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H"	1.007276
"129164"	581.398876	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+2H"	2.014552
"568723"	871.594676	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+2H"	2.014552
"1037200"	291.203076	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2H"	2.014552
"204287"	387.935009333333	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+3H"	3.021828
"644368"	581.398876	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+3H"	3.021828
"1162898"	194.471142666667	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+3H"	3.021828
"424304"	1178.817023	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+NH4"	18.033823
"785718"	1759.208623	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+NH4"	18.033823
"1696840"	598.425423	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+NH4"	18.033823
"341839"	589.9121495	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+H+NH4"	19.041099
"736448"	880.1079495	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+H+NH4"	19.041099
"1489173"	299.7163495	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H+NH4"	19.041099
"404573"	1183.772418	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+Na"	22.989218
"765567"	1764.164018	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+Na"	22.989218
"1609290"	603.380818	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Na"	22.989218
"324794"	592.389847	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+H+Na"	23.996494
"713941"	882.585647	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+H+Na"	23.996494
"1469949"	302.194047	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H+Na"	23.996494
"1066475"	201.798456666667	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2H+Na"	25.00377
"1267064"	613.425086	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+CH3OH+H"	33.033486
"386733"	1199.746358	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+K"	38.963158
"746637"	1780.137958	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+K"	38.963158
"1548688"	619.354758	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+K"	38.963158
"309143"	600.376817	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+H+K"	39.970434
"700471"	890.572617	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+H+K"	39.970434
"1452103"	310.181017	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H+K"	39.970434
"237422"	1202.817026	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+ACN+H"	42.033826
"1214872"	622.425426	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+ACN+H"	42.033826
"1204955"	311.716351	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+ACN+2H"	43.041102
"197825"	1205.75436	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+2Na-H"	44.97116
"636295"	1786.14596	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+2Na-H"	44.97116
"1133602"	625.36276	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2Na-H"	44.97116
"177985"	603.380818	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+2Na"	45.978436
"614386"	893.576618	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+2Na"	45.978436
"1118136"	313.185018	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2Na"	45.978436
"1400202"	209.125770666667	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H+2Na"	46.985712
"1436327"	627.404346	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H+HCOOH"	47.012746
"220186"	608.41384	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+3H2O+2H"	56.04448
"1508528"	641.45639	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+IsoProp+H"	61.06479
"408659"	611.367788	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+Na+K"	61.952376
"770023"	901.563588	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+Na+K"	61.952376
"1665829"	321.171988	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Na+K"	61.952376
"251502"	1224.798968	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+ACN+Na"	64.015768
"1226321"	644.407368	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+ACN+Na"	64.015768
"1714841"	644.430893	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+NH4+HCOOH"	64.039293
"1180563"	216.453084666667	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+3Na"	68.967654
"1651551"	649.386288	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Na+HCOOH"	68.994688
"158043"	1237.70224	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+2K-H"	76.91904
"600161"	1818.09384	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+2K-H"	76.91904
"1090506"	657.31064	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2K-H"	76.91904
"152061"	619.354758	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"2M+2K"	77.926316
"586155"	909.550558	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"3M+2K"	77.926316
"1078323"	329.158958	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2K"	77.926316
"1108251"	659.325192	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2K+H"	78.933592
"1344639"	659.412807	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+DMSO+H"	79.021207
"1015355"	663.451976	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2ACN+H"	83.060376
"1529107"	664.445608	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+IsoProp+Na+H"	84.054008
"999926"	332.229626	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+2ACN+2H"	84.067652
"1593335"	665.360228	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+K+HCOOH"	84.968628
"1423372"	695.391738	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+H+CF3COOH"	115.000138
"1148557"	352.742901	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+3ACN+2H"	125.094202
"1702118"	712.418285	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+NH4+CF3COOH"	132.026685
"1646522"	717.37368	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+Na+CF3COOH"	136.98208
"1581079"	733.34762	"C15967"	"Phoenicoxanthin;Adonirubin"	"C40H52O3"	"580.3916"	"M+K+CF3COOH"	152.95602
"811446"	582.4073	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M"	0
"978417"	563.38891	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-H2O-H"	-19.01839
"67753"	387.264257333333	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M-3H"	-3.021828
"513875"	581.400024	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M-3H"	-3.021828
"889491"	193.128490666667	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-3H"	-3.021828
"1505"	581.400024	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M-2H"	-2.014552
"441067"	872.603674	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M-2H"	-2.014552
"817404"	290.196374	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-2H"	-2.014552
"87611"	1163.807324	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M-H"	-1.007276
"526077"	1746.214624	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M-H"	-1.007276
"898775"	581.400024	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-H"	-1.007276
"49869"	1180.833871	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M-2H+NH4"	16.019271
"490161"	1763.241171	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M-2H+NH4"	16.019271
"875623"	598.426571	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-2H+NH4"	16.019271
"42430"	1185.789266	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M-2H+Na"	20.974666
"486001"	1768.196566	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M-2H+Na"	20.974666
"863076"	603.381966	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-2H+Na"	20.974666
"1629327"	603.381966	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Na-2H"	20.974666
"103668"	599.388363	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M-H+Cl"	33.962126
"537760"	890.592013	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M-H+Cl"	33.962126
"928598"	308.184713	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-H+Cl"	33.962126
"267756"	1199.784002	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+Cl"	34.969402
"668817"	1782.191302	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+Cl"	34.969402
"1285595"	617.376702	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Cl"	34.969402
"29243"	1201.763206	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M-2H+K"	36.948606
"463337"	1784.170506	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M-2H+K"	36.948606
"837862"	619.355906	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-2H+K"	36.948606
"1561352"	619.355906	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+K-2H"	36.948606
"944862"	627.405494	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-H+HCOOH"	44.998194
"364171"	1209.812801	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+HCOOH-H"	44.998201
"347687"	1223.828451	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+Hac-H"	59.013851
"1495795"	641.421151	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Hac-H"	59.013851
"965523"	649.387451	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-H+NaCOOH"	66.980151
"114430"	617.376702	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+2Cl"	69.938804
"559458"	908.580352	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+2Cl"	69.938804
"1024977"	326.173052	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2Cl"	69.938804
"1241883"	661.326185	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Br"	78.918885
"1308100"	663.382172	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Cl+HCOOH"	80.974872
"1319936"	685.364129	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Cl+NaCOOH"	102.956829
"911830"	695.392886	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M-H+CF3COOH"	112.985586
"1290086"	731.369564	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Cl+CF3COOH"	148.962264
"1367469"	547.394624	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H-2H2O"	-35.012676
"1385743"	565.4046	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H-H2O"	-17.0027
"283364"	1165.821876	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+H"	1.007276
"677245"	1748.229176	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+H"	1.007276
"1354201"	583.414576	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H"	1.007276
"129274"	583.414576	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+2H"	2.014552
"569927"	874.618226	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+2H"	2.014552
"1037101"	292.210926	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2H"	2.014552
"204473"	389.278809333333	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+3H"	3.021828
"644479"	583.414576	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+3H"	3.021828
"1163048"	195.143042666667	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+3H"	3.021828
"424789"	1182.848423	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+NH4"	18.033823
"786270"	1765.255723	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+NH4"	18.033823
"1690386"	600.441123	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+NH4"	18.033823
"343039"	591.9278495	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+H+NH4"	19.041099
"736554"	883.1314995	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+H+NH4"	19.041099
"1488189"	300.7241995	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H+NH4"	19.041099
"403588"	1187.803818	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+Na"	22.989218
"758021"	1770.211118	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+Na"	22.989218
"1604659"	605.396518	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Na"	22.989218
"316514"	594.405547	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+H+Na"	23.996494
"714051"	885.609197	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+H+Na"	23.996494
"1470059"	303.201897	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H+Na"	23.996494
"1063305"	202.470356666667	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2H+Na"	25.00377
"1268267"	615.440786	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+CH3OH+H"	33.033486
"382468"	1203.777758	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+K"	38.963158
"747840"	1786.185058	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+K"	38.963158
"1548799"	621.370458	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+K"	38.963158
"309254"	602.392517	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+H+K"	39.970434
"692926"	893.596167	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+H+K"	39.970434
"1452213"	311.188867	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H+K"	39.970434
"237532"	1206.848426	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+ACN+H"	42.033826
"1214618"	624.441126	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+ACN+H"	42.033826
"1198503"	312.724201	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+ACN+2H"	43.041102
"193561"	1209.78576	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+2Na-H"	44.97116
"637497"	1792.19306	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+2Na-H"	44.97116
"1135535"	627.37846	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2Na-H"	44.97116
"178824"	605.396518	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+2Na"	45.978436
"615832"	896.600168	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+2Na"	45.978436
"1121163"	314.192868	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2Na"	45.978436
"1399457"	209.797670666667	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H+2Na"	46.985712
"1432791"	629.420046	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H+HCOOH"	47.012746
"221757"	610.42954	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+3H2O+2H"	56.04448
"1509209"	643.47209	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+IsoProp+H"	61.06479
"411696"	613.383488	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+Na+K"	61.952376
"771353"	904.587138	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+Na+K"	61.952376
"1667077"	322.179838	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Na+K"	61.952376
"253707"	1228.830368	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+ACN+Na"	64.015768
"1227524"	646.423068	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+ACN+Na"	64.015768
"1714952"	646.446593	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+NH4+HCOOH"	64.039293
"1180309"	217.124984666667	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+3Na"	68.967654
"1652754"	651.401988	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Na+HCOOH"	68.994688
"158522"	1241.73364	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+2K-H"	76.91904
"600271"	1824.14094	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+2K-H"	76.91904
"1088064"	659.32634	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2K-H"	76.91904
"145610"	621.370458	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"2M+2K"	77.926316
"589548"	912.574108	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"3M+2K"	77.926316
"1079526"	330.166808	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2K"	77.926316
"1108361"	661.340892	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2K+H"	78.933592
"1342563"	661.428507	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+DMSO+H"	79.021207
"1014372"	665.467676	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2ACN+H"	83.060376
"1531405"	666.461308	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+IsoProp+Na+H"	84.054008
"998945"	333.237476	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+2ACN+2H"	84.067652
"1595634"	667.375928	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+K+HCOOH"	84.968628
"1423482"	697.407438	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+H+CF3COOH"	115.000138
"1149396"	353.750751	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+3ACN+2H"	125.094202
"1708789"	714.433985	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+NH4+CF3COOH"	132.026685
"1646632"	719.38938	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+Na+CF3COOH"	136.98208
"1573534"	735.36332	"C15968"	"Adonixanthin;4-Ketozeaxanthin"	"C40H54O3"	"582.4073"	"M+K+CF3COOH"	152.95602
"808276"	892.5337	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M"	0
"981807"	873.51531	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-H2O-H"	-19.01839
"67863"	594.015190666667	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M-3H"	-3.021828
"515078"	891.526424	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M-3H"	-3.021828
"886321"	296.503957333333	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-3H"	-3.021828
"1127"	891.526424	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M-2H"	-2.014552
"441177"	1337.793274	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M-2H"	-2.014552
"818978"	445.259574	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-2H"	-2.014552
"87721"	1784.060124	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M-H"	-1.007276
"526187"	2676.593824	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M-H"	-1.007276
"898885"	891.526424	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-H"	-1.007276
"49615"	1801.086671	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M-2H+NH4"	16.019271
"489542"	2693.620371	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M-2H+NH4"	16.019271
"864786"	908.552971	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-2H+NH4"	16.019271
"34885"	1806.042066	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M-2H+Na"	20.974666
"483195"	2698.575766	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M-2H+Na"	20.974666
"858809"	913.508366	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-2H+Na"	20.974666
"1622876"	913.508366	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Na-2H"	20.974666
"101591"	909.514763	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M-H+Cl"	33.962126
"535439"	1355.781613	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M-H+Cl"	33.962126
"928344"	463.247913	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-H+Cl"	33.962126
"267748"	1820.036802	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+Cl"	34.969402
"670020"	2712.570502	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+Cl"	34.969402
"1285705"	927.503102	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Cl"	34.969402
"29353"	1822.016006	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M-2H+K"	36.948606
"466727"	2714.549706	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M-2H+K"	36.948606
"834691"	929.482306	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-2H+K"	36.948606
"1559275"	929.482306	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+K-2H"	36.948606
"946065"	937.531894	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-H+HCOOH"	44.998194
"363549"	1830.065601	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+HCOOH-H"	44.998201
"349255"	1844.081251	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+Hac-H"	59.013851
"1493960"	951.547551	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Hac-H"	59.013851
"963446"	959.513851	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-H+NaCOOH"	66.980151
"116727"	927.503102	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+2Cl"	69.938804
"557381"	1373.769952	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+2Cl"	69.938804
"1025087"	481.236252	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2Cl"	69.938804
"1242599"	971.452585	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Br"	78.918885
"1308210"	973.508572	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Cl+HCOOH"	80.974872
"1320317"	995.490529	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Cl+NaCOOH"	102.956829
"912262"	1005.519286	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M-H+CF3COOH"	112.985586
"1293476"	1041.495964	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Cl+CF3COOH"	148.962264
"1368356"	857.521024	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H-2H2O"	-35.012676
"1385853"	875.531	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H-H2O"	-17.0027
"283595"	1786.074676	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+H"	1.007276
"677962"	2678.608376	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+H"	1.007276
"1354311"	893.540976	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H"	1.007276
"129384"	893.540976	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+2H"	2.014552
"570036"	1339.807826	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+2H"	2.014552
"1038835"	447.274126	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2H"	2.014552
"204828"	596.029742666667	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+3H"	3.021828
"644354"	893.540976	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+3H"	3.021828
"1163201"	298.518509333333	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+3H"	3.021828
"426602"	1803.101223	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+NH4"	18.033823
"786625"	2695.634923	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+NH4"	18.033823
"1690496"	910.567523	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+NH4"	18.033823
"339868"	902.0542495	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+H+NH4"	19.041099
"736664"	1348.3210995	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+H+NH4"	19.041099
"1487206"	455.7873995	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H+NH4"	19.041099
"399323"	1808.056618	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+Na"	22.989218
"759224"	2700.590318	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+Na"	22.989218
"1607320"	915.522918	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Na"	22.989218
"317352"	904.531947	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+H+Na"	23.996494
"714156"	1350.798797	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+H+Na"	23.996494
"1466885"	458.265097	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H+Na"	23.996494
"1056853"	305.845823333333	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2H+Na"	25.00377
"1264002"	925.567186	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+CH3OH+H"	33.033486
"383671"	1824.030558	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+K"	38.963158
"749772"	2716.564258	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+K"	38.963158
"1546721"	931.496858	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+K"	38.963158
"308270"	912.518917	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+H+K"	39.970434
"694129"	1358.785767	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+H+K"	39.970434
"1451230"	466.252067	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H+K"	39.970434
"238735"	1827.101226	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+ACN+H"	42.033826
"1210595"	934.567526	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+ACN+H"	42.033826
"1198612"	467.787401	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+ACN+2H"	43.041102
"193671"	1830.03856	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+2Na-H"	44.97116
"638700"	2722.57226	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+2Na-H"	44.97116
"1135646"	937.50486	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2Na-H"	44.97116
"175411"	915.522918	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+2Na"	45.978436
"615091"	1361.789768	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+2Na"	45.978436
"1120909"	469.256068	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2Na"	45.978436
"1399810"	313.173137333333	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H+2Na"	46.985712
"1433266"	939.546446	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H+HCOOH"	47.012746
"221381"	920.55594	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+3H2O+2H"	56.04448
"1509073"	953.59849	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+IsoProp+H"	61.06479
"410713"	923.509888	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+Na+K"	61.952376
"771219"	1369.776738	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+Na+K"	61.952376
"1666821"	477.243038	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Na+K"	61.952376
"252845"	1849.083168	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+ACN+Na"	64.015768
"1226417"	956.549468	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+ACN+Na"	64.015768
"1714090"	956.572993	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+NH4+HCOOH"	64.039293
"1179687"	320.500451333333	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+3Na"	68.967654
"1653593"	961.528388	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Na+HCOOH"	68.994688
"157900"	1861.98644	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+2K-H"	76.91904
"600017"	2754.52014	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+2K-H"	76.91904
"1085987"	969.45274	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2K-H"	76.91904
"145720"	931.496858	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"2M+2K"	77.926316
"586375"	1377.763708	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"3M+2K"	77.926316
"1076356"	485.230008	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2K"	77.926316
"1108471"	971.467292	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2K+H"	78.933592
"1342671"	971.554907	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+DMSO+H"	79.021207
"1013389"	975.594076	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2ACN+H"	83.060376
"1532609"	976.587708	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+IsoProp+Na+H"	84.054008
"997961"	488.300676	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+2ACN+2H"	84.067652
"1596838"	977.502328	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+K+HCOOH"	84.968628
"1423592"	1007.533838	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+H+CF3COOH"	115.000138
"1149506"	508.813951	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+3ACN+2H"	125.094202
"1708899"	1024.560385	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+NH4+CF3COOH"	132.026685
"1646742"	1029.51578	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+Na+CF3COOH"	136.98208
"1573644"	1045.48972	"C15969"	"Zeaxanthin diglucoside;Zeaxanthin-beta-D-diglucoside"	"C52H76O12"	"892.5337"	"M+K+CF3COOH"	152.95602
"812761"	426.189	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M"	0
"981919"	407.17061	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-H2O-H"	-19.01839
"77572"	283.118724	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M-3H"	-3.021828
"513003"	425.181724	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M-3H"	-3.021828
"888618"	141.055724	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-3H"	-3.021828
"3916"	425.181724	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M-2H"	-2.014552
"453684"	638.276224	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M-2H"	-2.014552
"827839"	212.087224	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-2H"	-2.014552
"91114"	851.370724	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M-H"	-1.007276
"529579"	1277.559724	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M-H"	-1.007276
"898268"	425.181724	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-H"	-1.007276
"58110"	868.397271	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M-2H+NH4"	16.019271
"494755"	1294.586271	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M-2H+NH4"	16.019271
"864658"	442.208271	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-2H+NH4"	16.019271
"33902"	873.352666	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M-2H+Na"	20.974666
"477836"	1299.541666	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M-2H+Na"	20.974666
"858918"	447.163666	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-2H+Na"	20.974666
"1627359"	447.163666	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Na-2H"	20.974666
"100608"	443.170063	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M-H+Cl"	33.962126
"543448"	656.264563	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M-H+Cl"	33.962126
"928210"	230.075563	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-H+Cl"	33.962126
"268711"	887.347402	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+Cl"	34.969402
"660770"	1313.536402	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+Cl"	34.969402
"1277066"	461.158402	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Cl"	34.969402
"20715"	889.326606	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M-2H+K"	36.948606
"458084"	1315.515606	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M-2H+K"	36.948606
"834798"	463.137606	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-2H+K"	36.948606
"1559385"	463.137606	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+K-2H"	36.948606
"949455"	471.187194	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-H+HCOOH"	44.998194
"364388"	897.376201	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+HCOOH-H"	44.998201
"351552"	911.391851	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+Hac-H"	59.013851
"1494434"	485.202851	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Hac-H"	59.013851
"966836"	493.169151	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-H+NaCOOH"	66.980151
"121940"	461.158402	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+2Cl"	69.938804
"560771"	674.252902	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+2Cl"	69.938804
"1026291"	248.063902	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2Cl"	69.938804
"1246966"	505.107885	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Br"	78.918885
"1308322"	507.163872	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Cl+HCOOH"	80.974872
"1320145"	529.145829	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Cl+NaCOOH"	102.956829
"912376"	539.174586	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M-H+CF3COOH"	112.985586
"1296866"	575.151264	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Cl+CF3COOH"	148.962264
"1368101"	391.176324	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H-2H2O"	-35.012676
"1389243"	409.1863	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H-H2O"	-17.0027
"290023"	853.385276	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+H"	1.007276
"678437"	1279.574276	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+H"	1.007276
"1354785"	427.196276	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H"	1.007276
"129495"	427.196276	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+2H"	2.014552
"571240"	640.290776	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+2H"	2.014552
"1039673"	214.101776	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2H"	2.014552
"205143"	285.133276	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+3H"	3.021828
"644294"	427.196276	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+3H"	3.021828
"1163109"	143.070276	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+3H"	3.021828
"427805"	870.411823	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+NH4"	18.033823
"785659"	1296.600823	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+NH4"	18.033823
"1690606"	444.222823	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+NH4"	18.033823
"343260"	435.7095495	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+H+NH4"	19.041099
"733496"	648.8040495	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+H+NH4"	19.041099
"1485130"	222.6150495	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H+NH4"	19.041099
"400526"	875.367218	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+Na"	22.989218
"761520"	1301.556218	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+Na"	22.989218
"1606337"	449.178218	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Na"	22.989218
"317462"	438.187247	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+H+Na"	23.996494
"713172"	651.281747	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+H+Na"	23.996494
"1465902"	225.092747	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H+Na"	23.996494
"1055870"	150.39759	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2H+Na"	25.00377
"1270309"	459.222486	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+CH3OH+H"	33.033486
"388156"	891.341158	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+K"	38.963158
"742590"	1317.530158	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+K"	38.963158
"1546828"	465.152158	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+K"	38.963158
"307284"	446.174217	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+H+K"	39.970434
"696424"	659.268717	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+H+K"	39.970434
"1452433"	233.079717	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H+K"	39.970434
"243221"	894.411826	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+ACN+H"	42.033826
"1211557"	468.222826	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+ACN+H"	42.033826
"1197630"	234.615051	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+ACN+2H"	43.041102
"193781"	897.34916	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+2Na-H"	44.97116
"637716"	1323.53816	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+2Na-H"	44.97116
"1136119"	471.16016	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2Na-H"	44.97116
"176130"	449.178218	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+2Na"	45.978436
"615323"	662.272718	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+2Na"	45.978436
"1118833"	236.083718	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2Na"	45.978436
"1403450"	157.724904	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H+2Na"	46.985712
"1434472"	473.201746	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H+HCOOH"	47.012746
"222707"	454.21124	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+3H2O+2H"	56.04448
"1510771"	487.25379	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+IsoProp+H"	61.06479
"411188"	457.165188	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+Na+K"	61.952376
"774005"	670.259688	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+Na+K"	61.952376
"1667902"	244.070688	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Na+K"	61.952376
"252113"	916.393768	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+ACN+Na"	64.015768
"1230661"	490.204768	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+ACN+Na"	64.015768
"1717362"	490.228293	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+NH4+HCOOH"	64.039293
"1182719"	165.052218	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+3Na"	68.967654
"1661360"	495.183688	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Na+HCOOH"	68.994688
"159837"	929.29704	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+2K-H"	76.91904
"608511"	1355.48604	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+2K-H"	76.91904
"1087920"	503.10804	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2K-H"	76.91904
"149110"	465.152158	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"2M+2K"	77.926316
"593047"	678.246658	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"3M+2K"	77.926316
"1078653"	252.057658	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2K"	77.926316
"1109675"	505.122592	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2K+H"	78.933592
"1344968"	505.210207	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+DMSO+H"	79.021207
"1013499"	509.249376	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2ACN+H"	83.060376
"1531624"	510.243008	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+IsoProp+Na+H"	84.054008
"999166"	255.128326	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+2ACN+2H"	84.067652
"1596947"	511.157628	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+K+HCOOH"	84.968628
"1423702"	541.189138	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+H+CF3COOH"	115.000138
"1155084"	275.641601	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+3ACN+2H"	125.094202
"1709009"	558.215685	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+NH4+CF3COOH"	132.026685
"1646852"	563.17108	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+Na+CF3COOH"	136.98208
"1573754"	579.14502	"C15970"	"Abscisic acid glucose ester;Abscisic acid-beta-D-glucopyranosyl ester;beta-D-Glucopyranosyl abscisate"	"C21H30O9"	"426.189"	"M+K+CF3COOH"	152.95602
"811777"	282.1467	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M"	0
"986402"	263.12831	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-H2O-H"	-19.01839
"71363"	187.090524	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M-3H"	-3.021828
"514204"	281.139424	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M-3H"	-3.021828
"887636"	93.041624	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-3H"	-3.021828
"6213"	281.139424	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M-2H"	-2.014552
"449054"	422.212774	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M-2H"	-2.014552
"821388"	140.066074	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-2H"	-2.014552
"90134"	563.286124	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M-H"	-1.007276
"531881"	845.432824	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M-H"	-1.007276
"905308"	281.139424	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-H"	-1.007276
"55307"	580.312671	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M-2H+NH4"	16.019271
"493777"	862.459371	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M-2H+NH4"	16.019271
"867199"	298.165971	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-2H+NH4"	16.019271
"42760"	585.268066	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M-2H+Na"	20.974666
"484144"	867.414766	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M-2H+Na"	20.974666
"860123"	303.121366	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-2H+Na"	20.974666
"1627469"	303.121366	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Na-2H"	20.974666
"105092"	299.127763	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M-H+Cl"	33.962126
"543558"	440.201113	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M-H+Cl"	33.962126
"927464"	158.054413	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-H+Cl"	33.962126
"267357"	599.262802	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+Cl"	34.969402
"660759"	881.409502	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+Cl"	34.969402
"1276083"	317.116102	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Cl"	34.969402
"20825"	601.242006	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M-2H+K"	36.948606
"457101"	883.388706	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M-2H+K"	36.948606
"832801"	319.095306	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-2H+K"	36.948606
"1558756"	319.095306	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+K-2H"	36.948606
"943004"	327.144894	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-H+HCOOH"	44.998194
"366685"	609.291601	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+HCOOH-H"	44.998201
"354942"	623.307251	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+Hac-H"	59.013851
"1502686"	341.160551	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Hac-H"	59.013851
"968040"	349.126851	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-H+NaCOOH"	66.980151
"121321"	317.116102	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+2Cl"	69.938804
"560881"	458.189452	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+2Cl"	69.938804
"1024213"	176.042752	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2Cl"	69.938804
"1243791"	361.065585	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Br"	78.918885
"1304780"	363.121572	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Cl+HCOOH"	80.974872
"1323736"	385.103529	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Cl+NaCOOH"	102.956829
"912001"	395.132286	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M-H+CF3COOH"	112.985586
"1293696"	431.108964	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Cl+CF3COOH"	148.962264
"1368205"	247.134024	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H-2H2O"	-35.012676
"1384245"	265.144	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H-H2O"	-17.0027
"283815"	565.300676	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+H"	1.007276
"676113"	847.447376	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+H"	1.007276
"1352099"	283.153976	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H"	1.007276
"125852"	283.153976	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+2H"	2.014552
"569162"	424.227326	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+2H"	2.014552
"1037103"	142.080626	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2H"	2.014552
"204639"	189.105076	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+3H"	3.021828
"644807"	283.153976	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+3H"	3.021828
"1163095"	95.056176	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+3H"	3.021828
"426823"	582.327223	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+NH4"	18.033823
"785872"	864.473923	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+NH4"	18.033823
"1684154"	300.180523	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+NH4"	18.033823
"340090"	291.6672495	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+H+NH4"	19.041099
"733603"	432.7405995	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+H+NH4"	19.041099
"1485239"	150.5938995	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H+NH4"	19.041099
"399542"	587.282618	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+Na"	22.989218
"758348"	869.429318	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+Na"	22.989218
"1606443"	305.135918	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Na"	22.989218
"318666"	294.144947	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+H+Na"	23.996494
"710004"	435.218297	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+H+Na"	23.996494
"1464916"	153.071597	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H+Na"	23.996494
"1054516"	102.38349	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2H+Na"	25.00377
"1268232"	315.180186	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+CH3OH+H"	33.033486
"386078"	603.256558	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+K"	38.963158
"742701"	885.403258	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+K"	38.963158
"1545116"	321.109858	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+K"	38.963158
"304113"	302.131917	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+H+K"	39.970434
"697628"	443.205267	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+H+K"	39.970434
"1449263"	161.058567	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H+K"	39.970434
"240051"	606.327226	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+ACN+H"	42.033826
"1213855"	324.180526	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+ACN+H"	42.033826
"1199927"	162.593901	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+ACN+2H"	43.041102
"193891"	609.26456	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+2Na-H"	44.97116
"637826"	891.41126	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+2Na-H"	44.97116
"1141333"	327.11786	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2Na-H"	44.97116
"182437"	305.135918	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+2Na"	45.978436
"615437"	446.209268	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+2Na"	45.978436
"1124411"	164.062568	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2Na"	45.978436
"1405747"	109.710804	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H+2Na"	46.985712
"1434582"	329.159446	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H+HCOOH"	47.012746
"223184"	310.16894	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+3H2O+2H"	56.04448
"1510153"	343.21149	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+IsoProp+H"	61.06479
"416401"	313.122888	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+Na+K"	61.952376
"774115"	454.196238	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+Na+K"	61.952376
"1667527"	172.049538	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Na+K"	61.952376
"251986"	628.309168	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+ACN+Na"	64.015768
"1234052"	346.162468	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+ACN+Na"	64.015768
"1722941"	346.185993	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+NH4+HCOOH"	64.039293
"1188297"	117.038118	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+3Na"	68.967654
"1658190"	351.141388	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Na+HCOOH"	68.994688
"163227"	641.21244	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+2K-H"	76.91904
"604613"	923.35914	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+2K-H"	76.91904
"1093499"	359.06574	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2K-H"	76.91904
"149220"	321.109858	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"2M+2K"	77.926316
"590970"	462.183208	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"3M+2K"	77.926316
"1073296"	180.036508	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2K"	77.926316
"1109785"	361.080292	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2K+H"	78.933592
"1342891"	361.167907	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+DMSO+H"	79.021207
"1013608"	365.207076	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2ACN+H"	83.060376
"1528452"	366.200708	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+IsoProp+Na+H"	84.054008
"994898"	183.107176	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+2ACN+2H"	84.067652
"1597059"	367.115328	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+K+HCOOH"	84.968628
"1421624"	397.146838	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+H+CF3COOH"	115.000138
"1150819"	203.620451	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+3ACN+2H"	125.094202
"1702558"	414.173385	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+NH4+CF3COOH"	132.026685
"1646962"	419.12878	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+Na+CF3COOH"	136.98208
"1581519"	435.10272	"C15971"	"Dihydrophaseic acid;(-)-Dihydrophaseic acid"	"C15H22O5"	"282.1467"	"M+K+CF3COOH"	152.95602
"815899"	511.1181	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M"	0
"981048"	492.09971	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H2O-H"	-19.01839
"72571"	339.738124	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-3H"	-3.021828
"509946"	510.110824	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-3H"	-3.021828
"889935"	169.365424	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-3H"	-3.021828
"7414"	510.110824	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H"	-2.014552
"448074"	765.669874	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H"	-2.014552
"825875"	254.551774	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H"	-2.014552
"91946"	1021.228924	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-H"	-1.007276
"529803"	1532.347024	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-H"	-1.007276
"903230"	510.110824	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H"	-1.007276
"57608"	1038.255471	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H+NH4"	16.019271
"492795"	1549.373571	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H+NH4"	16.019271
"871690"	527.137371	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H+NH4"	16.019271
"37403"	1043.210866	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H+Na"	20.974666
"481339"	1554.328966	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H+Na"	20.974666
"853306"	532.092766	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H+Na"	20.974666
"1625391"	532.092766	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na-2H"	20.974666
"96815"	528.099163	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-H+Cl"	33.962126
"536375"	783.658213	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-H+Cl"	33.962126
"930258"	272.540113	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+Cl"	33.962126
"270636"	1057.205602	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Cl"	34.969402
"663057"	1568.323702	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+Cl"	34.969402
"1274365"	546.087502	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl"	34.969402
"23125"	1059.184806	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H+K"	36.948606
"460501"	1570.302906	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H+K"	36.948606
"838306"	548.066706	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H+K"	36.948606
"1568355"	548.066706	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K-2H"	36.948606
"955510"	556.116294	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+HCOOH"	44.998194
"368985"	1067.234401	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+HCOOH-H"	44.998201
"356150"	1081.250051	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Hac-H"	59.013851
"1498419"	570.131951	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Hac-H"	59.013851
"967056"	578.098251	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+NaCOOH"	66.980151
"117058"	546.087502	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2Cl"	69.938804
"555524"	801.646552	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2Cl"	69.938804
"1025416"	290.528452	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2Cl"	69.938804
"1247184"	590.036985	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Br"	78.918885
"1306718"	592.092972	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl+HCOOH"	80.974872
"1330418"	614.074929	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl+NaCOOH"	102.956829
"922568"	624.103686	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+CF3COOH"	112.985586
"1295996"	660.080364	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl+CF3COOH"	148.962264
"1367391"	476.105424	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H-2H2O"	-35.012676
"1389467"	494.1154	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H-H2O"	-17.0027
"286966"	1023.243476	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H"	1.007276
"677200"	1534.361576	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H"	1.007276
"1351725"	512.125376	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H"	1.007276
"128255"	512.125376	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2H"	2.014552
"568177"	767.684426	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2H"	2.014552
"1039166"	256.566326	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2H"	2.014552
"212538"	341.752676	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+3H"	3.021828
"647726"	512.125376	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+3H"	3.021828
"1169128"	171.379976	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+3H"	3.021828
"429127"	1040.270023	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+NH4"	18.033823
"796688"	1551.388123	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+NH4"	18.033823
"1688643"	529.151923	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+NH4"	18.033823
"339108"	520.6386495	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H+NH4"	19.041099
"727155"	776.1976995	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H+NH4"	19.041099
"1482066"	265.0795995	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+NH4"	19.041099
"399654"	1045.225418	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Na"	22.989218
"758463"	1556.343518	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+Na"	22.989218
"1606567"	534.107318	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na"	22.989218
"317695"	523.116347	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H+Na"	23.996494
"716680"	778.675397	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H+Na"	23.996494
"1465038"	267.557297	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+Na"	23.996494
"1057190"	178.70729	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2H+Na"	25.00377
"1259960"	544.151586	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+CH3OH+H"	33.033486
"382909"	1061.199358	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+K"	38.963158
"742812"	1572.317458	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+K"	38.963158
"1543407"	550.081258	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K"	38.963158
"306779"	531.103317	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H+K"	39.970434
"696648"	786.662367	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H+K"	39.970434
"1455938"	275.544267	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+K"	39.970434
"241260"	1064.270026	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+ACN+H"	42.033826
"1221624"	553.151926	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+ACN+H"	42.033826
"1202227"	277.079601	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+ACN+2H"	43.041102
"191818"	1067.20736	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2Na-H"	44.97116
"632472"	1578.32546	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2Na-H"	44.97116
"1139258"	556.08926	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2Na-H"	44.97116
"180361"	534.107318	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2Na"	45.978436
"615547"	789.666368	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2Na"	45.978436
"1117958"	278.548268	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2Na"	45.978436
"1401113"	186.034604	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+2Na"	46.985712
"1431774"	558.130846	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+HCOOH"	47.012746
"221589"	539.14034	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+3H2O+2H"	56.04448
"1510626"	572.18289	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+IsoProp+H"	61.06479
"411043"	542.094288	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Na+K"	61.952376
"771792"	797.653338	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+Na+K"	61.952376
"1668006"	286.535238	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na+K"	61.952376
"251771"	1086.251968	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+ACN+Na"	64.015768
"1226511"	575.133868	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+ACN+Na"	64.015768
"1714303"	575.157393	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+NH4+HCOOH"	64.039293
"1182937"	193.361918	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+3Na"	68.967654
"1652466"	580.112788	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na+HCOOH"	68.994688
"160057"	1099.15524	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2K-H"	76.91904
"600712"	1610.27334	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2K-H"	76.91904
"1084977"	588.03714	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2K-H"	76.91904
"142892"	550.081258	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2K"	77.926316
"582324"	805.640308	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2K"	77.926316
"1068660"	294.522208	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2K"	77.926316
"1100031"	590.051692	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2K+H"	78.933592
"1339723"	590.139307	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+DMSO+H"	79.021207
"1006427"	594.178476	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2ACN+H"	83.060376
"1530754"	595.172108	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+IsoProp+Na+H"	84.054008
"995014"	297.592876	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2ACN+2H"	84.067652
"1591705"	596.086728	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K+HCOOH"	84.968628
"1416270"	626.118238	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+CF3COOH"	115.000138
"1147771"	318.106151	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+3ACN+2H"	125.094202
"1697934"	643.144785	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+NH4+CF3COOH"	132.026685
"1638325"	648.10018	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na+CF3COOH"	136.98208
"1576163"	664.07412	"C15974"	"3-Methyl-1-hydroxybutyl-ThPP;3-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K+CF3COOH"	152.95602
"814187"	497.1025	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M"	0
"989183"	478.08411	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-H2O-H"	-19.01839
"70495"	330.394390666667	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M-3H"	-3.021828
"513337"	496.095224	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M-3H"	-3.021828
"890046"	164.693557333333	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-3H"	-3.021828
"12999"	496.095224	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M-2H"	-2.014552
"448185"	744.646474	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M-2H"	-2.014552
"822706"	247.543974	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-2H"	-2.014552
"84886"	993.197724	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M-H"	-1.007276
"526633"	1490.300224	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M-H"	-1.007276
"902613"	496.095224	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-H"	-1.007276
"53346"	1010.224271	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M-2H+NH4"	16.019271
"495093"	1507.326771	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M-2H+NH4"	16.019271
"871801"	513.121771	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-2H+NH4"	16.019271
"38607"	1015.179666	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M-2H+Na"	20.974666
"479261"	1512.282166	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M-2H+Na"	20.974666
"855969"	518.077166	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-2H+Na"	20.974666
"1622586"	518.077166	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Na-2H"	20.974666
"96560"	514.083563	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M-H+Cl"	33.962126
"536487"	762.634813	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M-H+Cl"	33.962126
"931829"	265.532313	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-H+Cl"	33.962126
"270381"	1029.174402	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+Cl"	34.969402
"663898"	1526.276902	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+Cl"	34.969402
"1278491"	532.071902	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Cl"	34.969402
"23235"	1031.153606	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M-2H+K"	36.948606
"457690"	1528.256106	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M-2H+K"	36.948606
"834162"	534.051106	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-2H+K"	36.948606
"1556800"	534.051106	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+K-2H"	36.948606
"943629"	542.100694	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-H+HCOOH"	44.998194
"364721"	1039.203201	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+HCOOH-H"	44.998201
"347510"	1053.218851	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+Hac-H"	59.013851
"1494156"	556.116351	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Hac-H"	59.013851
"958633"	564.082651	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-H+NaCOOH"	66.980151
"117168"	532.071902	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+2Cl"	69.938804
"553449"	780.623152	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+2Cl"	69.938804
"1026624"	283.520652	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2Cl"	69.938804
"1245112"	576.021385	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Br"	78.918885
"1310846"	578.077372	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Cl+HCOOH"	80.974872
"1327247"	600.059329	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Cl+NaCOOH"	102.956829
"919399"	610.088086	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M-H+CF3COOH"	112.985586
"1290641"	646.064764	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Cl+CF3COOH"	148.962264
"1368070"	462.089824	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H-2H2O"	-35.012676
"1384231"	480.0998	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H-H2O"	-17.0027
"287075"	995.212276	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+H"	1.007276
"677429"	1492.314776	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+H"	1.007276
"1352562"	498.109776	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H"	1.007276
"128733"	498.109776	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+2H"	2.014552
"575948"	746.661026	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+2H"	2.014552
"1045842"	249.558526	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2H"	2.014552
"208280"	332.408942666667	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+3H"	3.021828
"646743"	498.109776	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+3H"	3.021828
"1175081"	166.708109333333	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+3H"	3.021828
"434709"	1012.238823	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+NH4"	18.033823
"792424"	1509.341323	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+NH4"	18.033823
"1688755"	515.136323	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+NH4"	18.033823
"338124"	506.6230495	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+H+NH4"	19.041099
"729453"	755.1742995	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+H+NH4"	19.041099
"1484366"	258.0717995	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H+NH4"	19.041099
"399765"	1017.194218	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+Na"	22.989218
"755417"	1514.296718	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+Na"	22.989218
"1604730"	520.091718	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Na"	22.989218
"315984"	509.100747	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+H+Na"	23.996494
"711329"	757.651997	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+H+Na"	23.996494
"1465150"	260.549497	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H+Na"	23.996494
"1055480"	174.035423333333	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2H+Na"	25.00377
"1260070"	530.135986	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+CH3OH+H"	33.033486
"381928"	1033.168158	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+K"	38.963158
"741465"	1530.270658	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+K"	38.963158
"1542422"	536.065658	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+K"	38.963158
"308712"	517.087717	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+H+K"	39.970434
"694208"	765.638967	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+H+K"	39.970434
"1450580"	268.536467	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H+K"	39.970434
"239182"	1036.238826	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+ACN+H"	42.033826
"1212257"	539.136326	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+ACN+H"	42.033826
"1195407"	270.071801	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+ACN+2H"	43.041102
"190830"	1039.17616	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+2Na-H"	44.97116
"632583"	1536.27866	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+2Na-H"	44.97116
"1132441"	542.07366	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2Na-H"	44.97116
"175365"	520.091718	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+2Na"	45.978436
"615288"	768.642968	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+2Na"	45.978436
"1119160"	271.540468	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2Na"	45.978436
"1401592"	181.362737333333	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H+2Na"	46.985712
"1432978"	544.115246	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H+HCOOH"	47.012746
"222310"	525.12474	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+3H2O+2H"	56.04448
"1510734"	558.16729	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+IsoProp+H"	61.06479
"409692"	528.078688	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+Na+K"	61.952376
"770568"	776.629938	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+Na+K"	61.952376
"1666049"	279.527438	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Na+K"	61.952376
"252446"	1058.220768	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+ACN+Na"	64.015768
"1226980"	561.118268	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+ACN+Na"	64.015768
"1713318"	561.141793	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+NH4+HCOOH"	64.039293
"1179642"	188.690051333333	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+3Na"	68.967654
"1657316"	566.097188	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Na+HCOOH"	68.994688
"159803"	1071.12404	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+2K-H"	76.91904
"598391"	1568.22654	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+2K-H"	76.91904
"1085088"	574.02154	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2K-H"	76.91904
"142393"	536.065658	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"2M+2K"	77.926316
"585724"	784.616908	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"3M+2K"	77.926316
"1074611"	287.514408	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2K"	77.926316
"1101745"	576.036092	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2K+H"	78.933592
"1336180"	576.123707	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+DMSO+H"	79.021207
"1006539"	580.162876	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2ACN+H"	83.060376
"1524781"	581.156508	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+IsoProp+Na+H"	84.054008
"990165"	290.585076	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+2ACN+2H"	84.067652
"1588048"	582.071128	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+K+HCOOH"	84.968628
"1414186"	612.102638	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+H+CF3COOH"	115.000138
"1147189"	311.098351	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+3ACN+2H"	125.094202
"1697677"	629.129185	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+NH4+CF3COOH"	132.026685
"1638436"	634.08458	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+Na+CF3COOH"	136.98208
"1572993"	650.05852	"C15976"	"2-Methyl-1-hydroxypropyl-ThPP;2-Methyl-1-hydroxypropyl-TPP"	"C16H27N4O8P2S"	"497.1025"	"M+K+CF3COOH"	152.95602
"816486"	511.1181	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M"	0
"984550"	492.09971	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H2O-H"	-19.01839
"76073"	339.738124	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-3H"	-3.021828
"514541"	510.110824	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-3H"	-3.021828
"892346"	169.365424	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-3H"	-3.021828
"9829"	510.110824	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H"	-2.014552
"446108"	765.669874	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H"	-2.014552
"825003"	254.551774	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H"	-2.014552
"84993"	1021.228924	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-H"	-1.007276
"524555"	1532.347024	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-H"	-1.007276
"904547"	510.110824	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H"	-1.007276
"52361"	1038.255471	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H+NH4"	16.019271
"496295"	1549.373571	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H+NH4"	16.019271
"869723"	527.137371	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H+NH4"	16.019271
"37988"	1043.210866	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H+Na"	20.974666
"479371"	1554.328966	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H+Na"	20.974666
"857173"	532.092766	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H+Na"	20.974666
"1623059"	532.092766	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na-2H"	20.974666
"101050"	528.099163	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-H+Cl"	33.962126
"537693"	783.658213	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-H+Cl"	33.962126
"929016"	272.540113	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+Cl"	33.962126
"268666"	1057.205602	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Cl"	34.969402
"667292"	1568.323702	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+Cl"	34.969402
"1278601"	546.087502	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl"	34.969402
"20068"	1059.184806	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M-2H+K"	36.948606
"457197"	1570.302906	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M-2H+K"	36.948606
"841808"	548.066706	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-2H+K"	36.948606
"1555815"	548.066706	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K-2H"	36.948606
"948802"	556.116294	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+HCOOH"	44.998194
"369204"	1067.234401	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+HCOOH-H"	44.998201
"354183"	1081.250051	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Hac-H"	59.013851
"1497550"	570.131951	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Hac-H"	59.013851
"969465"	578.098251	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+NaCOOH"	66.980151
"116185"	546.087502	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2Cl"	69.938804
"560125"	801.646552	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2Cl"	69.938804
"1026738"	290.528452	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2Cl"	69.938804
"1248508"	590.036985	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Br"	78.918885
"1317516"	592.092972	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl+HCOOH"	80.974872
"1333554"	614.074929	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl+NaCOOH"	102.956829
"918417"	624.103686	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M-H+CF3COOH"	112.985586
"1295125"	660.080364	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Cl+CF3COOH"	148.962264
"1374378"	476.105424	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H-2H2O"	-35.012676
"1392967"	494.1154	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H-H2O"	-17.0027
"290465"	1023.243476	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H"	1.007276
"680698"	1534.361576	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H"	1.007276
"1354130"	512.125376	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H"	1.007276
"130300"	512.125376	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2H"	2.014552
"578976"	767.684426	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2H"	2.014552
"1043769"	256.566326	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2H"	2.014552
"209844"	341.752676	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+3H"	3.021828
"657796"	512.125376	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+3H"	3.021828
"1170454"	171.379976	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+3H"	3.021828
"437735"	1040.270023	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+NH4"	18.033823
"800188"	1551.388123	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+NH4"	18.033823
"1691051"	529.151923	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+NH4"	18.033823
"342608"	520.6386495	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H+NH4"	19.041099
"729565"	776.1976995	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H+NH4"	19.041099
"1485570"	265.0795995	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+NH4"	19.041099
"396599"	1045.225418	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Na"	22.989218
"760873"	1556.343518	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+Na"	22.989218
"1606789"	534.107318	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na"	22.989218
"319015"	523.116347	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H+Na"	23.996494
"711440"	778.675397	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H+Na"	23.996494
"1465260"	267.557297	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+Na"	23.996494
"1056682"	178.70729	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2H+Na"	25.00377
"1264554"	544.151586	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+CH3OH+H"	33.033486
"380581"	1061.199358	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+K"	38.963158
"745221"	1572.317458	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+K"	38.963158
"1551647"	550.081258	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K"	38.963158
"305542"	531.103317	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+H+K"	39.970434
"703432"	786.662367	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+H+K"	39.970434
"1452876"	275.544267	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+K"	39.970434
"243668"	1064.270026	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+ACN+H"	42.033826
"1212004"	553.151926	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+ACN+H"	42.033826
"1195520"	277.079601	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+ACN+2H"	43.041102
"198600"	1067.20736	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2Na-H"	44.97116
"640348"	1578.32546	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2Na-H"	44.97116
"1141667"	556.08926	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2Na-H"	44.97116
"175843"	534.107318	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2Na"	45.978436
"615158"	789.666368	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2Na"	45.978436
"1119638"	278.548268	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2Na"	45.978436
"1402796"	186.034604	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+2Na"	46.985712
"1431630"	558.130846	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+HCOOH"	47.012746
"226065"	539.14034	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+3H2O+2H"	56.04448
"1509025"	572.18289	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+IsoProp+H"	61.06479
"409439"	542.094288	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+Na+K"	61.952376
"772627"	797.653338	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+Na+K"	61.952376
"1668958"	286.535238	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na+K"	61.952376
"254385"	1086.251968	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+ACN+Na"	64.015768
"1228553"	575.133868	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+ACN+Na"	64.015768
"1715617"	575.157393	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+NH4+HCOOH"	64.039293
"1181699"	193.361918	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+3Na"	68.967654
"1652687"	580.112788	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na+HCOOH"	68.994688
"159183"	1099.15524	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2K-H"	76.91904
"598015"	1610.27334	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2K-H"	76.91904
"1085562"	588.03714	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2K-H"	76.91904
"143114"	550.081258	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"2M+2K"	77.926316
"590208"	805.640308	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"3M+2K"	77.926316
"1071804"	294.522208	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2K"	77.926316
"1101125"	590.051692	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2K+H"	78.933592
"1338118"	590.139307	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+DMSO+H"	79.021207
"1015033"	594.178476	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2ACN+H"	83.060376
"1529879"	595.172108	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+IsoProp+Na+H"	84.054008
"990615"	297.592876	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+2ACN+2H"	84.067652
"1587669"	596.086728	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K+HCOOH"	84.968628
"1414580"	626.118238	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+H+CF3COOH"	115.000138
"1148236"	318.106151	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+3ACN+2H"	125.094202
"1698882"	643.144785	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+NH4+CF3COOH"	132.026685
"1639641"	648.10018	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+Na+CF3COOH"	136.98208
"1572010"	664.07412	"C15978"	"2-Methyl-1-hydroxybutyl-ThPP;2-Methyl-1-hydroxybutyl-TPP"	"C17H29N4O8P2S"	"511.1181"	"M+K+CF3COOH"	152.95602
"812221"	851.1727	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M"	0
"983568"	832.15431	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H2O-H"	-19.01839
"72904"	566.441190666667	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-3H"	-3.021828
"514652"	850.165424	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-3H"	-3.021828
"886988"	282.716957333333	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-3H"	-3.021828
"7751"	850.165424	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H"	-2.014552
"447308"	1275.751774	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H"	-2.014552
"822926"	424.579074	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H"	-2.014552
"87290"	1701.338124	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-H"	-1.007276
"522481"	2552.510824	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-H"	-1.007276
"904659"	850.165424	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H"	-1.007276
"56846"	1718.364671	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+NH4"	16.019271
"496406"	2569.537371	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+NH4"	16.019271
"872021"	867.191971	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+NH4"	16.019271
"43203"	1723.320066	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+Na"	20.974666
"483856"	2574.492766	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+Na"	20.974666
"856191"	872.147366	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+Na"	20.974666
"1624630"	872.147366	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na-2H"	20.974666
"102255"	868.153763	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-H+Cl"	33.962126
"538535"	1293.740113	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-H+Cl"	33.962126
"936424"	442.567413	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+Cl"	33.962126
"274980"	1737.314802	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Cl"	34.969402
"666310"	2588.487502	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Cl"	34.969402
"1278712"	886.142102	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl"	34.969402
"20178"	1739.294006	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M-2H+K"	36.948606
"464116"	2590.466706	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M-2H+K"	36.948606
"841917"	888.121306	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-2H+K"	36.948606
"1563218"	888.121306	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K-2H"	36.948606
"943446"	896.170894	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+HCOOH"	44.998194
"364941"	1747.343601	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+HCOOH-H"	44.998201
"354293"	1761.359251	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Hac-H"	59.013851
"1498757"	910.186551	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Hac-H"	59.013851
"969576"	918.152851	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+NaCOOH"	66.980151
"117391"	886.142102	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Cl"	69.938804
"561329"	1311.728452	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Cl"	69.938804
"1035972"	460.555752	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Cl"	69.938804
"1254085"	930.091585	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Br"	78.918885
"1314347"	932.147572	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+HCOOH"	80.974872
"1330750"	954.129529	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+NaCOOH"	102.956829
"918528"	964.158286	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M-H+CF3COOH"	112.985586
"1299608"	1000.134964	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Cl+CF3COOH"	148.962264
"1379958"	816.160024	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H-2H2O"	-35.012676
"1395995"	834.17	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H-H2O"	-17.0027
"293856"	1703.352676	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H"	1.007276
"687371"	2554.525376	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H"	1.007276
"1354240"	852.179976	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H"	1.007276
"135515"	852.179976	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2H"	2.014552
"579329"	1277.766326	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2H"	2.014552
"1042058"	426.593626	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2H"	2.014552
"211048"	568.455742666667	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+3H"	3.021828
"652076"	852.179976	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+3H"	3.021828
"1168377"	284.731509333333	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3H"	3.021828
"431650"	1720.379223	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+NH4"	18.033823
"797385"	2571.551923	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+NH4"	18.033823
"1693715"	869.206523	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4"	18.033823
"343814"	860.6932495	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+NH4"	19.041099
"730768"	1286.2795995	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+NH4"	19.041099
"1483496"	435.1068995	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+NH4"	19.041099
"399262"	1725.334618	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Na"	22.989218
"760986"	2576.507318	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Na"	22.989218
"1612366"	874.161918	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na"	22.989218
"324597"	863.170947	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+Na"	23.996494
"714832"	1288.757297	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+Na"	23.996494
"1466465"	437.584597	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+Na"	23.996494
"1056429"	292.058823333333	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2H+Na"	25.00377
"1264670"	884.206186	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+CH3OH+H"	33.033486
"384337"	1741.308558	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+K"	38.963158
"746424"	2592.481258	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+K"	38.963158
"1549569"	890.135858	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K"	38.963158
"305289"	871.157917	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+H+K"	39.970434
"699169"	1296.744267	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+H+K"	39.970434
"1452990"	445.571567	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+K"	39.970434
"243780"	1744.379226	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+H"	42.033826
"1210656"	893.206526	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+H"	42.033826
"1197091"	447.106901	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+2H"	43.041102
"193608"	1747.31656	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na-H"	44.97116
"630617"	2598.48926	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na-H"	44.97116
"1142871"	896.14386	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Na-H"	44.97116
"181786"	874.161918	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2Na"	45.978436
"615876"	1299.748268	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2Na"	45.978436
"1117924"	448.575568	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2Na"	45.978436
"1401813"	299.386137333333	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+2Na"	46.985712
"1431742"	898.185446	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+HCOOH"	47.012746
"225814"	879.19494	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+3H2O+2H"	56.04448
"1508646"	912.23749	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+H"	61.06479
"409187"	882.148888	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+Na+K"	61.952376
"772377"	1307.735238	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+Na+K"	61.952376
"1667610"	456.562538	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+K"	61.952376
"253035"	1766.361168	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+ACN+Na"	64.015768
"1229030"	915.188468	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+ACN+Na"	64.015768
"1714267"	915.211993	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+HCOOH"	64.039293
"1182179"	306.713451333333	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3Na"	68.967654
"1651341"	920.167388	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+HCOOH"	68.994688
"161121"	1779.26444	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2K-H"	76.91904
"608335"	2630.43714	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2K-H"	76.91904
"1092848"	928.09174	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K-H"	76.91904
"148571"	890.135858	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"2M+2K"	77.926316
"590318"	1315.722208	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"3M+2K"	77.926316
"1070822"	464.549508	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K"	77.926316
"1102573"	930.106292	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2K+H"	78.933592
"1336404"	930.193907	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+DMSO+H"	79.021207
"1012956"	934.233076	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+H"	83.060376
"1534363"	935.226708	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+IsoProp+Na+H"	84.054008
"990402"	467.620176	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+2ACN+2H"	84.067652
"1587169"	936.141328	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K+HCOOH"	84.968628
"1414776"	966.172838	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+H+CF3COOH"	115.000138
"1147130"	488.133451	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+3ACN+2H"	125.094202
"1697007"	983.199385	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+NH4+CF3COOH"	132.026685
"1639751"	988.15478	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+Na+CF3COOH"	136.98208
"1572120"	1004.12872	"C15980"	"(S)-2-Methylbutanoyl-CoA"	"C26H44N7O17P3S"	"851.1727"	"M+K+CF3COOH"	152.95602
"812331"	552.4331	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M"	0
"981491"	533.41471	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"70827"	367.281457333333	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"512575"	551.425824	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"887098"	183.137090666667	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"6768"	551.425824	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"444138"	827.642374	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"821942"	275.209274	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"85213"	1103.858924	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"521132"	1656.292024	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"903675"	551.425824	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"60236"	1120.885471	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"496516"	1673.318571	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"874318"	568.452371	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"43312"	1125.840866	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"478498"	1678.273966	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"857394"	573.407766	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1624740"	573.407766	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"103459"	569.414163	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"540832"	845.630713	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"936534"	293.197613	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"271810"	1139.835602	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"665326"	1692.268702	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1278823"	587.402502	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"18100"	1141.814806	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"457661"	1694.247906	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"833514"	589.381706	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1563327"	589.381706	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"947929"	597.431294	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"361727"	1149.864401	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"348936"	1163.880051	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1503238"	611.446951	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"964219"	619.413251	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"118595"	587.402502	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"561439"	863.619052	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1036815"	311.185952	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1254925"	631.351985	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1315550"	633.407972	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1330860"	655.389929	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"918638"	665.418686	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1299718"	701.395364	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1380068"	517.420424	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1396469"	535.4304	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"293966"	1105.873476	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"687481"	1658.306576	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1352529"	553.440376	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H"	1.007276
"135625"	553.440376	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"579196"	829.656926	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1039616"	277.223826	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"207514"	369.296009333333	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"656195"	553.440376	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1175657"	185.151642666667	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"438079"	1122.900023	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"798589"	1675.333123	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1693459"	570.466923	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"342831"	561.9536495	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"733065"	838.1701995	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1484699"	285.7370995	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"399008"	1127.855418	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"761096"	1680.288518	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1613570"	575.422318	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"326894"	564.431347	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"714942"	840.647897	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1465482"	288.214797	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1057633"	192.478956666667	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1266967"	585.466586	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"384448"	1143.829358	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"745442"	1696.262458	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1550773"	591.396258	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K"	38.963158
"304306"	572.418317	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"698186"	848.634867	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1454194"	296.201767	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"246076"	1146.900026	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1214414"	594.466926	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1199389"	297.737101	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"195541"	1149.83736	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"633279"	1702.27046	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1141888"	597.40426	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"181896"	575.422318	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"614530"	851.638868	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1118032"	299.205768	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1400828"	199.806270666667	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1432945"	599.445846	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"221548"	580.45534	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1512527"	613.49789	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"410756"	583.409288	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"772118"	859.625838	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1666625"	307.192738	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"252416"	1168.881968	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1227677"	616.448868	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1713648"	616.472393	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1180095"	207.133584666667	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1650718"	621.427788	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"161231"	1181.78524	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"604071"	1734.21834	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1092958"	629.35214	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"148681"	591.396258	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"581798"	867.612808	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1070932"	315.179708	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1100170"	631.366692	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1335825"	631.454307	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1013066"	635.493476	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1534473"	636.487108	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"993269"	318.250376	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1588257"	637.401728	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1414562"	667.433238	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1147135"	338.763651	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1697276"	684.459785	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1638768"	689.41518	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1573323"	705.38912	"C15981"	"alpha-Cryptoxanthin;(3R6R)-betaepsilon-Caroten-3-ol"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"804789"	368.21	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M"	0
"979416"	349.19161	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-H2O-H"	-19.01839
"68753"	244.466057333333	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M-3H"	-3.021828
"505030"	367.202724	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M-3H"	-3.021828
"883927"	121.729390666667	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-3H"	-3.021828
"5782"	367.202724	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M-2H"	-2.014552
"447537"	551.307724	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M-2H"	-2.014552
"824244"	183.097724	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-2H"	-2.014552
"82050"	735.412724	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M-H"	-1.007276
"528171"	1103.622724	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M-H"	-1.007276
"901598"	367.202724	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-H"	-1.007276
"53786"	752.439271	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M-2H+NH4"	16.019271
"493345"	1120.649271	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M-2H+NH4"	16.019271
"870053"	384.229271	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-2H+NH4"	16.019271
"41237"	757.394666	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M-2H+Na"	20.974666
"478609"	1125.604666	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M-2H+Na"	20.974666
"852404"	389.184666	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-2H+Na"	20.974666
"1623758"	389.184666	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Na-2H"	20.974666
"101384"	385.191063	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M-H+Cl"	33.962126
"543131"	569.296063	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M-H+Cl"	33.962126
"932273"	201.086063	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-H+Cl"	33.962126
"270828"	771.389402	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+Cl"	34.969402
"661185"	1139.599402	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+Cl"	34.969402
"1275655"	403.179402	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Cl"	34.969402
"16427"	773.368606	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M-2H+K"	36.948606
"456672"	1141.578606	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M-2H+K"	36.948606
"836670"	405.158606	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-2H+K"	36.948606
"1561252"	405.158606	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+K-2H"	36.948606
"948047"	413.208194	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-H+HCOOH"	44.998194
"366261"	781.418201	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+HCOOH-H"	44.998201
"350143"	795.433851	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+Hac-H"	59.013851
"1498978"	427.223851	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Hac-H"	59.013851
"970901"	435.190151	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-H+NaCOOH"	66.980151
"123089"	403.179402	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+2Cl"	69.938804
"559368"	587.284402	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+2Cl"	69.938804
"1028167"	219.074402	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2Cl"	69.938804
"1251024"	447.128885	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Br"	78.918885
"1311286"	449.184872	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Cl+HCOOH"	80.974872
"1324408"	471.166829	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Cl+NaCOOH"	102.956829
"919840"	481.195586	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M-H+CF3COOH"	112.985586
"1295454"	517.172264	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Cl+CF3COOH"	148.962264
"1381271"	333.197324	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H-2H2O"	-35.012676
"1395484"	351.2073	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H-H2O"	-17.0027
"296265"	737.427276	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+H"	1.007276
"687592"	1105.637276	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+H"	1.007276
"1354468"	369.217276	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H"	1.007276
"131368"	369.217276	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+2H"	2.014552
"569839"	553.322276	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+2H"	2.014552
"1040827"	185.112276	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2H"	2.014552
"205928"	246.480609333333	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+3H"	3.021828
"649379"	369.217276	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+3H"	3.021828
"1165680"	123.743942666667	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+3H"	3.021828
"427496"	754.453823	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+NH4"	18.033823
"787398"	1122.663823	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+NH4"	18.033823
"1690295"	386.243823	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+NH4"	18.033823
"331645"	377.7305495	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+H+NH4"	19.041099
"729898"	561.8355495	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+H+NH4"	19.041099
"1481532"	193.6255495	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H+NH4"	19.041099
"400222"	759.409218	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+Na"	22.989218
"760122"	1127.619218	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+Na"	22.989218
"1611502"	391.199218	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Na"	22.989218
"323726"	380.208247	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+H+Na"	23.996494
"716513"	564.313247	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+H+Na"	23.996494
"1469967"	196.103247	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H+Na"	23.996494
"1058839"	131.071256666667	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2H+Na"	25.00377
"1258695"	401.243486	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+CH3OH+H"	33.033486
"382369"	775.383158	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+K"	38.963158
"741544"	1143.593158	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+K"	38.963158
"1544326"	407.173158	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+K"	38.963158
"302598"	388.195217	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+H+K"	39.970434
"696110"	572.300217	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+H+K"	39.970434
"1447381"	204.090217	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H+K"	39.970434
"235773"	778.453826	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+ACN+H"	42.033826
"1210876"	410.243826	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+ACN+H"	42.033826
"1194801"	205.625551	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+ACN+2H"	43.041102
"193464"	781.39116	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+2Na-H"	44.97116
"631567"	1149.60116	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+2Na-H"	44.97116
"1132884"	413.18116	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2Na-H"	44.97116
"175809"	391.199218	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+2Na"	45.978436
"615367"	575.304218	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+2Na"	45.978436
"1117777"	207.094218	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2Na"	45.978436
"1400933"	138.398570666667	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H+2Na"	46.985712
"1431227"	415.222746	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H+HCOOH"	47.012746
"227135"	396.23224	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+3H2O+2H"	56.04448
"1511916"	429.27479	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+IsoProp+H"	61.06479
"414884"	399.186188	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+Na+K"	61.952376
"772955"	583.291188	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+Na+K"	61.952376
"1667465"	215.081188	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Na+K"	61.952376
"254351"	800.435768	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+ACN+Na"	64.015768
"1228156"	432.225768	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+ACN+Na"	64.015768
"1717043"	432.249293	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+NH4+HCOOH"	64.039293
"1181302"	145.725884666667	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+3Na"	68.967654
"1656668"	437.204688	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Na+HCOOH"	68.994688
"167902"	813.33904	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+2K-H"	76.91904
"610744"	1181.54904	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+2K-H"	76.91904
"1088698"	445.12904	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2K-H"	76.91904
"145877"	407.173158	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"2M+2K"	77.926316
"582155"	591.278158	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"3M+2K"	77.926316
"1076147"	223.068158	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2K"	77.926316
"1104981"	447.143592	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2K+H"	78.933592
"1339551"	447.231207	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+DMSO+H"	79.021207
"1010997"	451.270376	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2ACN+H"	83.060376
"1529122"	452.264008	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+IsoProp+Na+H"	84.054008
"993384"	226.138826	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+2ACN+2H"	84.067652
"1594448"	453.178628	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+K+HCOOH"	84.968628
"1420107"	483.210138	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+H+CF3COOH"	115.000138
"1148207"	246.652101	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+3ACN+2H"	125.094202
"1709793"	500.236685	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+NH4+CF3COOH"	132.026685
"1644350"	505.19208	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+Na+CF3COOH"	136.98208
"1582187"	521.16602	"C15985"	"17-O-Acetylajmaline"	"C22H28N2O3"	"368.21"	"M+K+CF3COOH"	152.95602
"812554"	210.1004	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M"	0
"982806"	191.08201	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-H2O-H"	-19.01839
"72143"	139.059657333333	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M-3H"	-3.021828
"503683"	209.093124	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M-3H"	-3.021828
"882944"	69.0261906666667	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-3H"	-3.021828
"4799"	209.093124	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M-2H"	-2.014552
"445457"	314.143324	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M-2H"	-2.014552
"827634"	104.042924	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-2H"	-2.014552
"88719"	419.193524	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M-H"	-1.007276
"531561"	629.293924	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M-H"	-1.007276
"904989"	209.093124	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-H"	-1.007276
"57176"	436.220071	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M-2H+NH4"	16.019271
"496737"	646.320471	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M-2H+NH4"	16.019271
"869071"	226.119671	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-2H+NH4"	16.019271
"40253"	441.175466	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M-2H+Na"	20.974666
"478719"	651.275866	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M-2H+Na"	20.974666
"854336"	231.075066	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-2H+Na"	20.974666
"1626055"	231.075066	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Na-2H"	20.974666
"103681"	227.081463	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M-H+Cl"	33.962126
"541054"	332.131663	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M-H+Cl"	33.962126
"938943"	122.031263	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-H+Cl"	33.962126
"273125"	455.170202	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+Cl"	34.969402
"661417"	665.270602	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+Cl"	34.969402
"1275766"	245.069802	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Cl"	34.969402
"16619"	457.149406	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M-2H+K"	36.948606
"456177"	667.249806	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M-2H+K"	36.948606
"834591"	247.049006	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-2H+K"	36.948606
"1555720"	247.049006	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+K-2H"	36.948606
"944871"	255.098594	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-H+HCOOH"	44.998194
"363450"	465.199001	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+HCOOH-H"	44.998201
"347334"	479.214651	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+Hac-H"	59.013851
"1501274"	269.114251	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Hac-H"	59.013851
"973195"	277.080551	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-H+NaCOOH"	66.980151
"123927"	245.069802	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+2Cl"	69.938804
"563854"	350.120002	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+2Cl"	69.938804
"1035566"	140.019602	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2Cl"	69.938804
"1248948"	289.019285	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Br"	78.918885
"1317592"	291.075272	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Cl+HCOOH"	80.974872
"1329986"	313.057229	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Cl+NaCOOH"	102.956829
"919950"	323.085986	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M-H+CF3COOH"	112.985586
"1299938"	359.062664	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Cl+CF3COOH"	148.962264
"1380284"	175.087724	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H-2H2O"	-35.012676
"1390126"	193.0977	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H-H2O"	-17.0027
"287624"	421.208076	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+H"	1.007276
"677855"	631.308476	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+H"	1.007276
"1360772"	211.107676	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H"	1.007276
"136941"	211.107676	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+2H"	2.014552
"571038"	316.157876	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+2H"	2.014552
"1043123"	106.057476	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2H"	2.014552
"207012"	141.074209333333	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+3H"	3.021828
"646693"	211.107676	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+3H"	3.021828
"1166153"	71.0407426666667	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+3H"	3.021828
"426876"	438.234623	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+NH4"	18.033823
"788963"	648.335023	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+NH4"	18.033823
"1686030"	228.134223	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+NH4"	18.033823
"332848"	219.6209495	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+H+NH4"	19.041099
"726363"	324.6711495	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+H+NH4"	19.041099
"1481642"	114.5707495	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H+NH4"	19.041099
"404705"	443.190018	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+Na"	22.989218
"763512"	653.290418	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+Na"	22.989218
"1613800"	233.089618	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Na"	22.989218
"326023"	222.098647	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+H+Na"	23.996494
"718446"	327.148847	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+H+Na"	23.996494
"1472264"	117.048447	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H+Na"	23.996494
"1060042"	78.3680566666667	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2H+Na"	25.00377
"1263907"	243.133886	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+CH3OH+H"	33.033486
"381388"	459.163958	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+K"	38.963158
"742384"	669.264358	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+K"	38.963158
"1545527"	249.063558	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+K"	38.963158
"302706"	230.085617	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+H+K"	39.970434
"695493"	335.135817	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+H+K"	39.970434
"1446034"	125.035417	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H+K"	39.970434
"237185"	462.234626	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+ACN+H"	42.033826
"1212080"	252.134226	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+ACN+H"	42.033826
"1194423"	126.570751	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+ACN+2H"	43.041102
"190656"	465.17196	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+2Na-H"	44.97116
"634228"	675.27236	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+2Na-H"	44.97116
"1135182"	255.07156	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2Na-H"	44.97116
"175919"	233.089618	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+2Na"	45.978436
"614382"	338.139818	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+2Na"	45.978436
"1117884"	128.039418	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2Na"	45.978436
"1399953"	85.6953706666667	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H+2Na"	46.985712
"1431703"	257.113146	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H+HCOOH"	47.012746
"223963"	238.12264	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+3H2O+2H"	56.04448
"1512026"	271.16519	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+IsoProp+H"	61.06479
"414994"	241.076588	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+Na+K"	61.952376
"773072"	346.126788	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+Na+K"	61.952376
"1667943"	136.026388	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Na+K"	61.952376
"253733"	484.216568	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+ACN+Na"	64.015768
"1227901"	274.116168	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+ACN+Na"	64.015768
"1716055"	274.139693	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+NH4+HCOOH"	64.039293
"1180318"	93.0226846666667	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+3Na"	68.967654
"1654591"	279.095088	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Na+HCOOH"	68.994688
"162545"	497.11984	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+2K-H"	76.91904
"606481"	707.22024	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+2K-H"	76.91904
"1088808"	287.01944	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2K-H"	76.91904
"144530"	249.063558	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"2M+2K"	77.926316
"582386"	354.113758	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"3M+2K"	77.926316
"1075163"	144.013358	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2K"	77.926316
"1107279"	289.033992	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2K+H"	78.933592
"1338568"	289.121607	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+DMSO+H"	79.021207
"1010014"	293.160776	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2ACN+H"	83.060376
"1529234"	294.154408	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+IsoProp+Na+H"	84.054008
"994587"	147.084026	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+2ACN+2H"	84.067652
"1590184"	295.069028	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+K+HCOOH"	84.968628
"1416936"	325.100538	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+H+CF3COOH"	115.000138
"1147260"	167.597301	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+3ACN+2H"	125.094202
"1709903"	342.127085	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+NH4+CF3COOH"	132.026685
"1641180"	347.08248	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+Na+CF3COOH"	136.98208
"1582297"	363.05642	"C15986"	"26-Dihydroxypseudooxynicotine;1-(26-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one"	"C10H14N2O3"	"210.1004"	"M+K+CF3COOH"	152.95602
"816601"	117.079	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M"	0
"988754"	98.06061	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"77362"	77.0453906666667	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"517286"	116.071724	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"895525"	38.0190573333333	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"15628"	116.071724	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"443385"	174.611224	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"824466"	57.532224	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"86644"	233.150724	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"524019"	350.229724	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"901822"	116.071724	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"51093"	250.177271	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"493566"	367.256271	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"870276"	133.098271	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"34899"	255.132666	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"475554"	372.211666	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"854451"	138.053666	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1619975"	138.053666	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"97235"	134.060063	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"546638"	192.599563	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"937966"	75.520563	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"272148"	269.127402	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"663476"	386.206402	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1274420"	152.048402	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"21718"	271.106606	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"459089"	388.185606	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"834707"	154.027606	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1566581"	154.027606	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"950453"	162.077194	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"377006"	279.156201	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"360833"	293.171851	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1507848"	176.092851	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"970757"	184.059151	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"118934"	152.048402	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"559588"	210.587902	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1029481"	93.508902	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1246871"	195.997885	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1311871"	198.053872	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1327911"	220.035829	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"920060"	230.064586	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1294580"	266.041264	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1373834"	82.066324	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1389144"	100.0763	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"297216"	235.165276	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"681258"	352.244276	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1359795"	118.086276	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"133778"	118.086276	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"578814"	176.625776	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1048704"	59.546776	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"212231"	79.0599426666667	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"656166"	118.086276	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1177208"	40.0336093333333	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"432096"	252.191823	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"796008"	369.270823	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1690519"	135.112823	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"339890"	126.5995495	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"735231"	185.1390495	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1489418"	68.0600495	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"404817"	257.147218	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"768001"	374.226218	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1616467"	140.068218	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"326137"	129.077247	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"716372"	187.616747	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1470193"	70.537747	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1060157"	47.3609233333333	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1261837"	150.112486	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"380047"	273.121158	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"739949"	390.200158	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1540013"	156.042158	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"300274"	137.064217	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"692328"	195.603717	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1447972"	78.524717	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"243133"	276.191826	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1216939"	159.112826	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1203006"	80.060051	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"196973"	279.12916	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"633253"	396.20816	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1134570"	162.05016	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"174212"	140.068218	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"618514"	198.607718	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1123114"	81.528718	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1411015"	54.6882373333333	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1439849"	164.091746	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"233919"	145.10124	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1517609"	178.14379	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"410733"	148.055188	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"776105"	206.594688	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1669156"	89.515688	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"255675"	298.173768	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1236040"	181.094768	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1724562"	181.118293	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1189186"	62.0155513333333	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1659081"	186.073688	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"162660"	311.07704	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"598210"	428.15604	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1085641"	193.99804	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"143186"	156.042158	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"582014"	214.581658	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1073094"	97.502658	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1102290"	196.012592	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1339042"	196.100207	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1012313"	200.139376	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1530437"	201.133008	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"993238"	100.573326	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1591387"	202.047628	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1418140"	232.079138	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1149520"	121.086601	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1704545"	249.105685	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1641290"	254.06108	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1582407"	270.03502	"C15987"	"4-Methylaminobutyrate;gamma-N-Methylaminobutyrate"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"806213"	316.2614	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M"	0
"983026"	297.24301	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-H2O-H"	-19.01839
"71270"	209.833657333333	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M-3H"	-3.021828
"508646"	315.254124	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M-3H"	-3.021828
"885354"	104.413190666667	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-3H"	-3.021828
"3928"	315.254124	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M-2H"	-2.014552
"444583"	473.384824	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M-2H"	-2.014552
"822384"	157.123424	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-2H"	-2.014552
"91128"	631.515524	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M-H"	-1.007276
"528500"	947.776924	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M-H"	-1.007276
"904120"	315.254124	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-H"	-1.007276
"50842"	648.542071	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M-2H+NH4"	16.019271
"492589"	964.803471	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M-2H+NH4"	16.019271
"869658"	332.280671	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-2H+NH4"	16.019271
"36466"	653.497466	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M-2H+Na"	20.974666
"476028"	969.758866	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M-2H+Na"	20.974666
"855654"	337.236066	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-2H+Na"	20.974666
"1623001"	337.236066	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Na-2H"	20.974666
"97345"	333.242463	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M-H+Cl"	33.962126
"544561"	491.373163	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M-H+Cl"	33.962126
"935889"	175.111763	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-H+Cl"	33.962126
"270070"	667.492202	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+Cl"	34.969402
"663950"	983.753602	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+Cl"	34.969402
"1275990"	351.230802	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Cl"	34.969402
"21829"	669.471406	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M-2H+K"	36.948606
"459201"	985.732806	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M-2H+K"	36.948606
"839553"	353.210006	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-2H+K"	36.948606
"1567055"	353.210006	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+K-2H"	36.948606
"950563"	361.259594	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-H+HCOOH"	44.998194
"373154"	677.521001	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+HCOOH-H"	44.998201
"361383"	691.536651	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+Hac-H"	59.013851
"1507953"	375.275251	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Hac-H"	59.013851
"965766"	383.241551	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-H+NaCOOH"	66.980151
"119044"	351.230802	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+2Cl"	69.938804
"556417"	509.361502	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+2Cl"	69.938804
"1026309"	193.100102	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2Cl"	69.938804
"1249166"	395.180285	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Br"	78.918885
"1312707"	397.236272	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Cl+HCOOH"	80.974872
"1326928"	419.218229	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Cl+NaCOOH"	102.956829
"920170"	429.246986	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M-H+CF3COOH"	112.985586
"1296878"	465.223664	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Cl+CF3COOH"	148.962264
"1375038"	281.248724	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H-2H2O"	-35.012676
"1391442"	299.2587	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H-H2O"	-17.0027
"294408"	633.530076	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+H"	1.007276
"681368"	949.791476	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+H"	1.007276
"1357718"	317.268676	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H"	1.007276
"132795"	317.268676	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+2H"	2.014552
"576736"	475.399376	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+2H"	2.014552
"1048814"	159.137976	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2H"	2.014552
"212341"	211.848209333333	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+3H"	3.021828
"654089"	317.268676	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+3H"	3.021828
"1176226"	106.427742666667	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+3H"	3.021828
"433299"	650.556623	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+NH4"	18.033823
"789920"	966.818023	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+NH4"	18.033823
"1682609"	334.295223	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+NH4"	18.033823
"340000"	325.7819495	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+H+NH4"	19.041099
"735341"	483.9126495	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+H+NH4"	19.041099
"1488434"	167.6512495	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H+NH4"	19.041099
"404927"	655.512018	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+Na"	22.989218
"765922"	971.773418	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+Na"	22.989218
"1617996"	339.250618	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Na"	22.989218
"327340"	328.259647	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+H+Na"	23.996494
"717576"	486.390347	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+H+Na"	23.996494
"1472491"	170.128947	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H+Na"	23.996494
"1063547"	113.755056666667	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2H+Na"	25.00377
"1264134"	349.294886	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+CH3OH+H"	33.033486
"379429"	671.485958	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+K"	38.963158
"741518"	987.747358	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+K"	38.963158
"1543571"	355.224558	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+K"	38.963158
"300748"	336.246617	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+H+K"	39.970434
"693169"	494.377317	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+H+K"	39.970434
"1451363"	178.115917	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H+K"	39.970434
"244336"	674.556626	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+ACN+H"	42.033826
"1220330"	358.295226	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+ACN+H"	42.033826
"1202023"	179.651251	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+ACN+2H"	43.041102
"197082"	677.49396	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+2Na-H"	44.97116
"635550"	993.75536	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+2Na-H"	44.97116
"1140147"	361.23256	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2Na-H"	44.97116
"175051"	339.250618	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+2Na"	45.978436
"614975"	497.381318	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+2Na"	45.978436
"1123223"	181.119918	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2Na"	45.978436
"1412219"	121.082370666667	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H+2Na"	46.985712
"1442879"	363.274146	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H+HCOOH"	47.012746
"234030"	344.28364	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+3H2O+2H"	56.04448
"1519906"	377.32619	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+IsoProp+H"	61.06479
"415218"	347.237588	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+Na+K"	61.952376
"776215"	505.368288	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+Na+K"	61.952376
"1673640"	189.106888	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Na+K"	61.952376
"256879"	696.538568	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+ACN+Na"	64.015768
"1237243"	380.277168	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+ACN+Na"	64.015768
"1725036"	380.300693	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+NH4+HCOOH"	64.039293
"1187110"	128.409684666667	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+3Na"	68.967654
"1655909"	385.256088	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Na+HCOOH"	68.994688
"162770"	709.44184	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+2K-H"	76.91904
"599052"	1025.70324	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+2K-H"	76.91904
"1089031"	393.18044	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2K-H"	76.91904
"142807"	355.224558	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"2M+2K"	77.926316
"582732"	513.355258	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"3M+2K"	77.926316
"1073204"	197.093858	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2K"	77.926316
"1103131"	395.194992	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2K+H"	78.933592
"1342799"	395.282607	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+DMSO+H"	79.021207
"1012423"	399.321776	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2ACN+H"	83.060376
"1529454"	400.315408	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+IsoProp+Na+H"	84.054008
"995900"	200.164526	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+2ACN+2H"	84.067652
"1593684"	401.230028	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+K+HCOOH"	84.968628
"1418248"	431.261538	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+H+CF3COOH"	115.000138
"1147683"	220.677801	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+3ACN+2H"	125.094202
"1706842"	448.288085	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+NH4+CF3COOH"	132.026685
"1644680"	453.24348	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+Na+CF3COOH"	136.98208
"1582517"	469.21742	"C15988"	"(9S10S)-910-Dihydroxyoctadecanoate"	"C18H36O4"	"316.2614"	"M+K+CF3COOH"	152.95602
"803043"	396.2277	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M"	0
"979856"	377.20931	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-H2O-H"	-19.01839
"69193"	263.144524	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M-3H"	-3.021828
"504865"	395.220424	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M-3H"	-3.021828
"885463"	131.068624	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-3H"	-3.021828
"5130"	395.220424	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M-2H"	-2.014552
"444693"	593.334274	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M-2H"	-2.014552
"822494"	197.106574	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-2H"	-2.014552
"93913"	791.448124	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M-H"	-1.007276
"527517"	1187.675824	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M-H"	-1.007276
"900944"	395.220424	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-H"	-1.007276
"50950"	808.474671	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M-2H+NH4"	16.019271
"493063"	1204.702371	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M-2H+NH4"	16.019271
"870498"	412.246971	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-2H+NH4"	16.019271
"36213"	813.430066	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M-2H+Na"	20.974666
"475774"	1209.657766	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M-2H+Na"	20.974666
"857951"	417.202366	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-2H+Na"	20.974666
"1624205"	417.202366	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Na-2H"	20.974666
"97455"	413.208763	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M-H+Cl"	33.962126
"536649"	611.322613	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M-H+Cl"	33.962126
"935999"	215.094913	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-H+Cl"	33.962126
"268357"	827.424802	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+Cl"	34.969402
"665883"	1223.652502	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+Cl"	34.969402
"1282660"	431.197102	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Cl"	34.969402
"24125"	829.404006	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M-2H+K"	36.948606
"463685"	1225.631706	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M-2H+K"	36.948606
"840393"	433.176306	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-2H+K"	36.948606
"1567530"	433.176306	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+K-2H"	36.948606
"949216"	441.225894	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-H+HCOOH"	44.998194
"373993"	837.453601	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+HCOOH-H"	44.998201
"360445"	851.469251	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+Hac-H"	59.013851
"1506970"	455.241551	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Hac-H"	59.013851
"972317"	463.207851	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-H+NaCOOH"	66.980151
"122073"	431.197102	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+2Cl"	69.938804
"557622"	629.310952	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+2Cl"	69.938804
"1028241"	233.083252	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2Cl"	69.938804
"1251462"	475.146585	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Br"	78.918885
"1312817"	477.202572	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Cl+HCOOH"	80.974872
"1327038"	499.184529	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Cl+NaCOOH"	102.956829
"919187"	509.213286	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M-H+CF3COOH"	112.985586
"1294802"	545.189964	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Cl+CF3COOH"	148.962264
"1378066"	361.215024	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H-2H2O"	-35.012676
"1391552"	379.225	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H-H2O"	-17.0027
"295979"	793.462676	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+H"	1.007276
"681842"	1189.690376	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+H"	1.007276
"1355276"	397.234976	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H"	1.007276
"132905"	397.234976	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+2H"	2.014552
"577576"	595.348826	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+2H"	2.014552
"1048562"	199.121126	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2H"	2.014552
"215003"	265.159076	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+3H"	3.021828
"649822"	397.234976	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+3H"	3.021828
"1177067"	133.083176	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+3H"	3.021828
"430128"	810.489223	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+NH4"	18.033823
"793310"	1206.716923	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+NH4"	18.033823
"1686365"	414.261523	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+NH4"	18.033823
"334643"	405.7482495	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+H+NH4"	19.041099
"738090"	603.8620995	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+H+NH4"	19.041099
"1491462"	207.6343995	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H+NH4"	19.041099
"407715"	815.444618	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+Na"	22.989218
"768830"	1211.672318	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+Na"	22.989218
"1617295"	419.216918	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Na"	22.989218
"329032"	408.225947	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+H+Na"	23.996494
"719872"	606.339797	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+H+Na"	23.996494
"1474787"	210.112097	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H+Na"	23.996494
"1064752"	140.41049	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2H+Na"	25.00377
"1269713"	429.261186	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+CH3OH+H"	33.033486
"388288"	831.418558	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+K"	38.963158
"746001"	1227.646258	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+K"	38.963158
"1544776"	435.190858	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+K"	38.963158
"303046"	416.212917	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+H+K"	39.970434
"696559"	614.326767	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+H+K"	39.970434
"1458032"	218.099067	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H+K"	39.970434
"242259"	834.489226	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+ACN+H"	42.033826
"1222261"	438.261526	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+ACN+H"	42.033826
"1201039"	219.634401	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+ACN+2H"	43.041102
"197192"	837.42656	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+2Na-H"	44.97116
"635660"	1233.65426	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+2Na-H"	44.97116
"1140257"	441.19886	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2Na-H"	44.97116
"174311"	419.216918	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+2Na"	45.978436
"615082"	617.330768	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+2Na"	45.978436
"1126614"	221.103068	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2Na"	45.978436
"1413545"	147.737804	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H+2Na"	46.985712
"1442255"	443.240446	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H+HCOOH"	47.012746
"235562"	424.24994	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+3H2O+2H"	56.04448
"1522932"	457.29249	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+IsoProp+H"	61.06479
"415328"	427.203888	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+Na+K"	61.952376
"778511"	625.317738	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+Na+K"	61.952376
"1677030"	229.090038	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Na+K"	61.952376
"261362"	856.471168	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+ACN+Na"	64.015768
"1237353"	460.243468	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+ACN+Na"	64.015768
"1728272"	460.266993	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+NH4+HCOOH"	64.039293
"1192687"	155.065118	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+3Na"	68.967654
"1657112"	465.222388	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Na+HCOOH"	68.994688
"166160"	869.37444	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+2K-H"	76.91904
"603536"	1265.60214	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+2K-H"	76.91904
"1088047"	473.14674	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2K-H"	76.91904
"144496"	435.190858	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"2M+2K"	77.926316
"583207"	633.304708	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"3M+2K"	77.926316
"1075500"	237.077008	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2K"	77.926316
"1105427"	475.161292	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2K+H"	78.933592
"1344002"	475.248907	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+DMSO+H"	79.021207
"1012533"	479.288076	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2ACN+H"	83.060376
"1530657"	480.281708	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+IsoProp+Na+H"	84.054008
"997103"	240.147676	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+2ACN+2H"	84.067652
"1592701"	481.196328	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+K+HCOOH"	84.968628
"1418358"	511.227838	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+H+CF3COOH"	115.000138
"1147795"	260.660951	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+3ACN+2H"	125.094202
"1706952"	528.254385	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+NH4+CF3COOH"	132.026685
"1644790"	533.20978	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+Na+CF3COOH"	136.98208
"1582627"	549.18372	"C15989"	"(9S10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate"	"C18H37O7P"	"396.2277"	"M+K+CF3COOH"	152.95602
"806433"	579.895	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M"	0
"979966"	560.87661	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H2O-H"	-19.01839
"71490"	385.589390666667	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-3H"	-3.021828
"503517"	578.887724	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-3H"	-3.021828
"885572"	192.291057333333	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-3H"	-3.021828
"3053"	578.887724	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H"	-2.014552
"443710"	868.835224	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H"	-2.014552
"820417"	288.940224	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H"	-2.014552
"84787"	1158.782724	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H"	-1.007276
"527627"	1738.677724	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H"	-1.007276
"899231"	578.887724	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H"	-1.007276
"47781"	1175.809271	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+NH4"	16.019271
"492809"	1755.704271	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+NH4"	16.019271
"866599"	595.914271	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+NH4"	16.019271
"33043"	1180.764666	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+Na"	20.974666
"476978"	1760.659666	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+Na"	20.974666
"854780"	600.869666	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+Na"	20.974666
"1628688"	600.869666	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na-2H"	20.974666
"105217"	596.876063	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H+Cl"	33.962126
"542591"	886.823563	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H+Cl"	33.962126
"930639"	306.928563	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+Cl"	33.962126
"269562"	1194.759402	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Cl"	34.969402
"668180"	1774.654402	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Cl"	34.969402
"1279490"	614.864402	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl"	34.969402
"22049"	1196.738606	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+K"	36.948606
"460515"	1776.633606	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+K"	36.948606
"838317"	616.843606	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+K"	36.948606
"1568369"	616.843606	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K-2H"	36.948606
"949690"	624.893194	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+HCOOH"	44.998194
"371187"	1204.788201	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+HCOOH-H"	44.998201
"361245"	1218.803851	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Hac-H"	59.013851
"1508274"	638.908851	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Hac-H"	59.013851
"973156"	646.875151	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+NaCOOH"	66.980151
"125217"	614.864402	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Cl"	69.938804
"558827"	904.811902	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Cl"	69.938804
"1027261"	324.916902	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Cl"	69.938804
"1248657"	658.813885	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Br"	78.918885
"1308919"	660.869872	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+HCOOH"	80.974872
"1328241"	682.851829	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+NaCOOH"	102.956829
"918204"	692.880586	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+CF3COOH"	112.985586
"1294912"	728.857264	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+CF3COOH"	148.962264
"1377446"	544.882324	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-2H2O"	-35.012676
"1390569"	562.8923	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-H2O"	-17.0027
"296089"	1160.797276	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H"	1.007276
"679400"	1740.692276	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H"	1.007276
"1355386"	580.902276	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H"	1.007276
"133015"	580.902276	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2H"	2.014552
"579145"	870.849776	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2H"	2.014552
"1049765"	290.954776	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H"	2.014552
"215477"	387.603942666667	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H"	3.021828
"648839"	580.902276	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+3H"	3.021828
"1176810"	194.305609333333	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3H"	3.021828
"432424"	1177.823823	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+NH4"	18.033823
"795607"	1757.718823	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+NH4"	18.033823
"1687568"	597.928823	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4"	18.033823
"332929"	589.4155495	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+NH4"	19.041099
"737752"	879.3630495	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+NH4"	19.041099
"1490845"	299.4680495	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+NH4"	19.041099
"406243"	1182.779218	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na"	22.989218
"767237"	1762.674218	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na"	22.989218
"1618135"	602.884218	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na"	22.989218
"327561"	591.893247	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+Na"	23.996494
"718889"	881.840747	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+Na"	23.996494
"1474895"	301.945747	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+Na"	23.996494
"1064860"	201.632923333333	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H+Na"	25.00377
"1267634"	612.928486	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+CH3OH+H"	33.033486
"380743"	1198.753158	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+K"	38.963158
"746113"	1778.648158	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+K"	38.963158
"1543793"	618.858158	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K"	38.963158
"300968"	599.880217	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+K"	39.970434
"696670"	889.827717	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+K"	39.970434
"1453770"	309.932717	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+K"	39.970434
"245652"	1201.823826	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+H"	42.033826
"1222735"	621.928826	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+H"	42.033826
"1203338"	311.468051	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+2H"	43.041102
"196209"	1204.76116	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na-H"	44.97116
"635770"	1784.65616	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na-H"	44.97116
"1138181"	624.86616	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na-H"	44.97116
"174543"	602.884218	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na"	45.978436
"613370"	892.831718	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na"	45.978436
"1122351"	312.936718	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na"	45.978436
"1398549"	208.960237333333	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+2Na"	46.985712
"1441272"	626.907746	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+HCOOH"	47.012746
"229874"	607.91724	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H2O+2H"	56.04448
"1519030"	640.95979	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+H"	61.06479
"423092"	610.871188	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na+K"	61.952376
"779715"	900.818688	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na+K"	61.952376
"1676047"	320.923688	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+K"	61.952376
"264753"	1223.805768	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+Na"	64.015768
"1240015"	643.910768	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+Na"	64.015768
"1728260"	643.934293	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+HCOOH"	64.039293
"1190611"	216.287551333333	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3Na"	68.967654
"1665453"	648.889688	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+HCOOH"	68.994688
"167364"	1236.70904	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K-H"	76.91904
"599636"	1816.60404	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K-H"	76.91904
"1087427"	656.81404	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K-H"	76.91904
"143876"	618.858158	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K"	77.926316
"584898"	908.805658	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K"	77.926316
"1073424"	328.910658	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K"	77.926316
"1102620"	658.828592	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K+H"	78.933592
"1343019"	658.916207	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+DMSO+H"	79.021207
"1013736"	662.955376	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+H"	83.060376
"1527485"	663.949008	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+Na+H"	84.054008
"993931"	331.981326	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+2H"	84.067652
"1593903"	664.863628	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+HCOOH"	84.968628
"1418468"	694.895138	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+CF3COOH"	115.000138
"1148027"	352.494601	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3ACN+2H"	125.094202
"1700501"	711.921685	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+CF3COOH"	132.026685
"1641619"	716.87708	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+CF3COOH"	136.98208
"1582737"	732.85102	"C15990"	"1L-myo-Inositol 12346-pentakisphosphate;myo-Inositol 12346-pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+CF3COOH"	152.95602
"803263"	579.895	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M"	0
"980076"	560.87661	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H2O-H"	-19.01839
"70507"	385.589390666667	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-3H"	-3.021828
"503097"	578.887724	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-3H"	-3.021828
"881673"	192.291057333333	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-3H"	-3.021828
"4256"	578.887724	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H"	-2.014552
"443819"	868.835224	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H"	-2.014552
"820162"	288.940224	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H"	-2.014552
"84897"	1158.782724	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H"	-1.007276
"527737"	1738.677724	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H"	-1.007276
"899341"	578.887724	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H"	-1.007276
"47891"	1175.809271	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+NH4"	16.019271
"491826"	1755.704271	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+NH4"	16.019271
"868533"	595.914271	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+NH4"	16.019271
"32666"	1180.764666	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+Na"	20.974666
"474173"	1760.659666	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+Na"	20.974666
"854890"	600.869666	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+Na"	20.974666
"1625518"	600.869666	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na-2H"	20.974666
"109458"	596.876063	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-H+Cl"	33.962126
"539420"	886.823563	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-H+Cl"	33.962126
"932933"	306.928563	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+Cl"	33.962126
"267604"	1194.759402	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Cl"	34.969402
"666103"	1774.654402	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Cl"	34.969402
"1273645"	614.864402	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl"	34.969402
"21065"	1196.738606	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M-2H+K"	36.948606
"460624"	1776.633606	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M-2H+K"	36.948606
"836604"	616.843606	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-2H+K"	36.948606
"1567750"	616.843606	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K-2H"	36.948606
"950893"	624.893194	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+HCOOH"	44.998194
"372755"	1204.788201	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+HCOOH-H"	44.998201
"360909"	1218.803851	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Hac-H"	59.013851
"1507181"	638.908851	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Hac-H"	59.013851
"974134"	646.875151	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+NaCOOH"	66.980151
"124113"	614.864402	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Cl"	69.938804
"557843"	904.811902	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Cl"	69.938804
"1031012"	324.916902	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Cl"	69.938804
"1250589"	658.813885	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Br"	78.918885
"1311214"	660.869872	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+HCOOH"	80.974872
"1326164"	682.851829	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+NaCOOH"	102.956829
"917221"	692.880586	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M-H+CF3COOH"	112.985586
"1295022"	728.857264	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Cl+CF3COOH"	148.962264
"1372089"	544.882324	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-2H2O"	-35.012676
"1389585"	562.8923	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H-H2O"	-17.0027
"295104"	1160.797276	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H"	1.007276
"678415"	1740.692276	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H"	1.007276
"1354038"	580.902276	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H"	1.007276
"127291"	580.902276	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2H"	2.014552
"578162"	870.849776	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2H"	2.014552
"1049876"	290.954776	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H"	2.014552
"215587"	387.603942666667	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H"	3.021828
"648949"	580.902276	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+3H"	3.021828
"1174733"	194.305609333333	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3H"	3.021828
"430348"	1177.823823	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+NH4"	18.033823
"794624"	1757.718823	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+NH4"	18.033823
"1690958"	597.928823	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4"	18.033823
"337048"	589.4155495	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+NH4"	19.041099
"737499"	879.3630495	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+NH4"	19.041099
"1487675"	299.4680495	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+NH4"	19.041099
"398700"	1182.779218	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na"	22.989218
"764067"	1762.674218	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na"	22.989218
"1617270"	602.884218	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na"	22.989218
"327673"	591.893247	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+Na"	23.996494
"717906"	881.840747	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+Na"	23.996494
"1471727"	301.945747	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+Na"	23.996494
"1063876"	201.632923333333	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2H+Na"	25.00377
"1265558"	612.928486	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+CH3OH+H"	33.033486
"381580"	1198.753158	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+K"	38.963158
"747315"	1778.648158	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+K"	38.963158
"1542809"	618.858158	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K"	38.963158
"301076"	599.880217	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+H+K"	39.970434
"696779"	889.827717	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+H+K"	39.970434
"1456067"	309.932717	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+K"	39.970434
"246855"	1201.823826	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+H"	42.033826
"1217377"	621.928826	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+H"	42.033826
"1200166"	311.468051	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+2H"	43.041102
"196319"	1204.76116	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na-H"	44.97116
"636973"	1784.65616	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na-H"	44.97116
"1140477"	624.86616	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na-H"	44.97116
"174653"	602.884218	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2Na"	45.978436
"613357"	892.831718	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2Na"	45.978436
"1118087"	312.936718	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2Na"	45.978436
"1399054"	208.960237333333	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+2Na"	46.985712
"1440289"	626.907746	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+HCOOH"	47.012746
"229984"	607.91724	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+3H2O+2H"	56.04448
"1519140"	640.95979	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+H"	61.06479
"421014"	610.871188	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+Na+K"	61.952376
"779825"	900.818688	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+Na+K"	61.952376
"1678344"	320.923688	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+K"	61.952376
"264863"	1223.805768	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+ACN+Na"	64.015768
"1239761"	643.910768	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+ACN+Na"	64.015768
"1726096"	643.934293	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+HCOOH"	64.039293
"1188534"	216.287551333333	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3Na"	68.967654
"1662799"	648.889688	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+HCOOH"	68.994688
"164194"	1236.70904	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K-H"	76.91904
"600477"	1816.60404	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K-H"	76.91904
"1087537"	656.81404	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K-H"	76.91904
"144354"	618.858158	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"2M+2K"	77.926316
"585738"	908.805658	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"3M+2K"	77.926316
"1072441"	328.910658	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K"	77.926316
"1102729"	658.828592	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2K+H"	78.933592
"1342036"	658.916207	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+DMSO+H"	79.021207
"1016033"	662.955376	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+H"	83.060376
"1526866"	663.949008	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+IsoProp+Na+H"	84.054008
"994406"	331.981326	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+2ACN+2H"	84.067652
"1594013"	664.863628	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+HCOOH"	84.968628
"1418578"	694.895138	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+H+CF3COOH"	115.000138
"1148866"	352.494601	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+3ACN+2H"	125.094202
"1700611"	711.921685	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+NH4+CF3COOH"	132.026685
"1641729"	716.87708	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+Na+CF3COOH"	136.98208
"1582847"	732.85102	"C15991"	"myo-Inositol pentakisphosphate"	"C6H17O21P5"	"579.895"	"M+K+CF3COOH"	152.95602
"803737"	402.3498	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M"	0
"980186"	383.33141	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H2O-H"	-19.01839
"69523"	267.225924	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-3H"	-3.021828
"505799"	401.342524	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-3H"	-3.021828
"881781"	133.109324	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-3H"	-3.021828
"5459"	401.342524	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H"	-2.014552
"441863"	602.517424	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H"	-2.014552
"821730"	200.167624	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H"	-2.014552
"88287"	803.692324	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-H"	-1.007276
"527847"	1206.042124	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-H"	-1.007276
"901273"	401.342524	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H"	-1.007276
"50188"	820.718871	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H+NH4"	16.019271
"488893"	1223.068671	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H+NH4"	16.019271
"866821"	418.369071	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H+NH4"	16.019271
"33266"	825.674266	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H+Na"	20.974666
"473919"	1228.024066	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H+Na"	20.974666
"855000"	423.324466	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H+Na"	20.974666
"1625628"	423.324466	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na-2H"	20.974666
"106530"	419.330863	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-H+Cl"	33.962126
"543903"	620.505763	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-H+Cl"	33.962126
"929765"	218.155963	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+Cl"	33.962126
"279985"	839.669002	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Cl"	34.969402
"660867"	1242.018802	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+Cl"	34.969402
"1275336"	437.319202	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl"	34.969402
"20082"	841.648206	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M-2H+K"	36.948606
"460735"	1243.998006	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M-2H+K"	36.948606
"834285"	439.298406	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-2H+K"	36.948606
"1567860"	439.298406	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K-2H"	36.948606
"953190"	447.347994	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+HCOOH"	44.998194
"372865"	849.697801	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+HCOOH-H"	44.998201
"360655"	863.713451	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Hac-H"	59.013851
"1505589"	461.363651	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Hac-H"	59.013851
"974092"	469.329951	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+NaCOOH"	66.980151
"123131"	437.319202	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2Cl"	69.938804
"559048"	638.494102	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2Cl"	69.938804
"1030029"	236.144302	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2Cl"	69.938804
"1249242"	481.268685	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Br"	78.918885
"1312054"	483.324672	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl+HCOOH"	80.974872
"1328462"	505.306629	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl+NaCOOH"	102.956829
"915509"	515.335386	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M-H+CF3COOH"	112.985586
"1292946"	551.312064	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Cl+CF3COOH"	148.962264
"1375480"	367.337124	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H-2H2O"	-35.012676
"1390790"	385.3471	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H-H2O"	-17.0027
"297042"	805.706876	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H"	1.007276
"680711"	1208.056676	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H"	1.007276
"1354877"	403.357076	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H"	1.007276
"127401"	403.357076	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2H"	2.014552
"579731"	604.531976	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2H"	2.014552
"1051078"	202.182176	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2H"	2.014552
"213874"	269.240476	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+3H"	3.021828
"650152"	403.357076	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+3H"	3.021828
"1163537"	135.123876	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+3H"	3.021828
"424985"	822.733423	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+NH4"	18.033823
"790359"	1225.083223	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+NH4"	18.033823
"1693255"	420.383623	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+NH4"	18.033823
"337159"	411.8703495	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H+NH4"	19.041099
"736148"	613.0452495	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H+NH4"	19.041099
"1489972"	210.6954495	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+NH4"	19.041099
"403184"	827.688818	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Na"	22.989218
"764177"	1230.038618	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+Na"	22.989218
"1614463"	425.339018	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na"	22.989218
"326689"	414.348047	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H+Na"	23.996494
"716923"	615.522947	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H+Na"	23.996494
"1471837"	213.173147	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+Na"	23.996494
"1066174"	142.45119	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2H+Na"	25.00377
"1263480"	435.383286	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+CH3OH+H"	33.033486
"379870"	843.662758	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+K"	38.963158
"746332"	1246.012558	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+K"	38.963158
"1546200"	441.312958	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K"	38.963158
"301189"	422.335017	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+H+K"	39.970434
"699077"	623.509917	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+H+K"	39.970434
"1457270"	221.160117	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+K"	39.970434
"248058"	846.733426	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+ACN+H"	42.033826
"1221862"	444.383626	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+ACN+H"	42.033826
"1202463"	222.695451	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+ACN+2H"	43.041102
"196429"	849.67076	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2Na-H"	44.97116
"640363"	1252.02056	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2Na-H"	44.97116
"1141682"	447.32096	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2Na-H"	44.97116
"176223"	425.339018	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2Na"	45.978436
"614689"	626.513918	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2Na"	45.978436
"1118561"	224.164118	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2Na"	45.978436
"1401719"	149.778504	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+2Na"	46.985712
"1444412"	449.362546	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+HCOOH"	47.012746
"227907"	430.37204	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+3H2O+2H"	56.04448
"1518157"	463.41459	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+IsoProp+H"	61.06479
"420760"	433.325988	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+Na+K"	61.952376
"782123"	634.500888	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+Na+K"	61.952376
"1678455"	232.151088	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na+K"	61.952376
"263517"	868.715368	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+ACN+Na"	64.015768
"1238414"	466.365568	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+ACN+Na"	64.015768
"1726571"	466.389093	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+NH4+HCOOH"	64.039293
"1189737"	157.105818	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+3Na"	68.967654
"1662909"	471.344488	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na+HCOOH"	68.994688
"167584"	881.61864	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2K-H"	76.91904
"602773"	1283.96844	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2K-H"	76.91904
"1087283"	479.26884	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2K-H"	76.91904
"144465"	441.312958	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"2M+2K"	77.926316
"585848"	642.487858	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"3M+2K"	77.926316
"1073643"	240.138058	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2K"	77.926316
"1102475"	481.283392	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2K+H"	78.933592
"1338866"	481.371007	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+DMSO+H"	79.021207
"1012863"	485.410176	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2ACN+H"	83.060376
"1527340"	486.403808	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+IsoProp+Na+H"	84.054008
"992328"	243.208726	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+2ACN+2H"	84.067652
"1594123"	487.318428	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K+HCOOH"	84.968628
"1419781"	517.349938	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+H+CF3COOH"	115.000138
"1150069"	263.722001	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+3ACN+2H"	125.094202
"1707282"	534.376485	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+NH4+CF3COOH"	132.026685
"1641839"	539.33188	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+Na+CF3COOH"	136.98208
"1582957"	555.30582	"C15992"	"Cholesterol-5alpha6alpha-epoxide;56alpha-Epoxy-5alpha-cholestan-3beta-ol"	"C27H46O2"	"402.3498"	"M+K+CF3COOH"	152.95602
"816907"	175.0494	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M"	0
"978112"	156.03101	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-H2O-H"	-19.01839
"65623"	115.692324	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M-3H"	-3.021828
"507008"	174.042124	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M-3H"	-3.021828
"881893"	57.342524	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-3H"	-3.021828
"6669"	174.042124	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M-2H"	-2.014552
"442946"	261.566824	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M-2H"	-2.014552
"820752"	86.517424	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-2H"	-2.014552
"82932"	349.091524	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M-H"	-1.007276
"523583"	524.140924	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M-H"	-1.007276
"905759"	174.042124	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-H"	-1.007276
"48475"	366.118071	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M-2H+NH4"	16.019271
"490582"	541.167471	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M-2H+NH4"	16.019271
"866566"	191.068671	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-2H+NH4"	16.019271
"33376"	371.073466	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M-2H+Na"	20.974666
"475122"	546.122866	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M-2H+Na"	20.974666
"860577"	196.024066	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-2H+Na"	20.974666
"1622459"	196.024066	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Na-2H"	20.974666
"101174"	192.030463	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M-H+Cl"	33.962126
"536361"	279.555163	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M-H+Cl"	33.962126
"933155"	104.505763	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-H+Cl"	33.962126
"269528"	385.068202	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+Cl"	34.969402
"665232"	560.117602	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+Cl"	34.969402
"1285293"	210.018802	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Cl"	34.969402
"22379"	387.047406	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M-2H+K"	36.948606
"467408"	562.096806	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M-2H+K"	36.948606
"847644"	211.998006	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-2H+K"	36.948606
"1570527"	211.998006	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+K-2H"	36.948606
"956837"	220.047594	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-H+HCOOH"	44.998194
"375533"	395.097001	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+HCOOH-H"	44.998201
"360518"	409.112651	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+Hac-H"	59.013851
"1508343"	234.063251	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Hac-H"	59.013851
"974156"	242.029551	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-H+NaCOOH"	66.980151
"124217"	210.018802	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+2Cl"	69.938804
"556968"	297.543502	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+2Cl"	69.938804
"1028316"	122.494102	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2Cl"	69.938804
"1249717"	253.968285	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Br"	78.918885
"1309979"	256.024272	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Cl+HCOOH"	80.974872
"1324561"	278.006229	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Cl+NaCOOH"	102.956829
"917440"	288.034986	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M-H+CF3COOH"	112.985586
"1294147"	324.011664	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Cl+CF3COOH"	148.962264
"1371216"	140.036724	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H-2H2O"	-35.012676
"1386526"	158.0467	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H-H2O"	-17.0027
"286213"	351.106076	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+H"	1.007276
"681920"	526.155476	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+H"	1.007276
"1353894"	176.056676	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H"	1.007276
"141212"	176.056676	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+2H"	2.014552
"579475"	263.581376	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+2H"	2.014552
"1049365"	88.531976	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2H"	2.014552
"210703"	117.706876	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+3H"	3.021828
"651357"	176.056676	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+3H"	3.021828
"1169482"	59.357076	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+3H"	3.021828
"428380"	368.132623	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+NH4"	18.033823
"794847"	543.182023	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+NH4"	18.033823
"1690086"	193.083223	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+NH4"	18.033823
"344892"	184.5699495	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+H+NH4"	19.041099
"736258"	272.0946495	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+H+NH4"	19.041099
"1488989"	97.0452495	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H+NH4"	19.041099
"405482"	373.088018	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+Na"	22.989218
"768661"	548.137418	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+Na"	22.989218
"1615667"	198.038618	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Na"	22.989218
"326799"	187.047647	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+H+Na"	23.996494
"720803"	274.572347	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+H+Na"	23.996494
"1470853"	99.522947	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H+Na"	23.996494
"1064098"	66.68439	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2H+Na"	25.00377
"1259218"	208.082886	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+CH3OH+H"	33.033486
"385448"	389.061958	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+K"	38.963158
"742071"	564.111358	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+K"	38.963158
"1541934"	214.012558	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+K"	38.963158
"301300"	195.034617	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+H+K"	39.970434
"693720"	282.559317	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+H+K"	39.970434
"1453007"	107.509917	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H+K"	39.970434
"244891"	392.132626	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+ACN+H"	42.033826
"1218690"	217.083226	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+ACN+H"	42.033826
"1206950"	109.045251	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+ACN+2H"	43.041102
"199820"	395.06996	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+2Na-H"	44.97116
"637193"	570.11936	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+2Na-H"	44.97116
"1134137"	220.02056	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2Na-H"	44.97116
"176333"	198.038618	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+2Na"	45.978436
"619176"	285.563318	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+2Na"	45.978436
"1121588"	110.513918	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2Na"	45.978436
"1412408"	74.011704	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H+2Na"	46.985712
"1443430"	222.062146	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H+HCOOH"	47.012746
"232031"	203.07164	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+3H2O+2H"	56.04448
"1517174"	236.11419	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+IsoProp+H"	61.06479
"412484"	206.025588	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+Na+K"	61.952376
"778226"	293.550288	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+Na+K"	61.952376
"1677838"	118.500888	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Na+K"	61.952376
"259255"	414.114568	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+ACN+Na"	64.015768
"1233058"	239.065168	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+ACN+Na"	64.015768
"1719027"	239.088693	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+NH4+HCOOH"	64.039293
"1188390"	81.339018	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+3Na"	68.967654
"1654274"	244.044088	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Na+HCOOH"	68.994688
"163326"	427.01784	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+2K-H"	76.91904
"601790"	602.06724	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+2K-H"	76.91904
"1091772"	251.96844	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2K-H"	76.91904
"146399"	214.012558	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"2M+2K"	77.926316
"592525"	301.537258	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"3M+2K"	77.926316
"1074848"	126.487858	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2K"	77.926316
"1111342"	253.982992	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2K+H"	78.933592
"1343351"	254.070607	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+DMSO+H"	79.021207
"1008599"	258.109776	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2ACN+H"	83.060376
"1527815"	259.103408	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+IsoProp+Na+H"	84.054008
"995360"	129.558526	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+2ACN+2H"	84.067652
"1592046"	260.018028	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+K+HCOOH"	84.968628
"1420985"	290.049538	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+H+CF3COOH"	115.000138
"1158937"	150.071801	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+3ACN+2H"	125.094202
"1709582"	307.076085	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+NH4+CF3COOH"	132.026685
"1641950"	312.03148	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+Na+CF3COOH"	136.98208
"1573225"	328.00542	"C15996"	"7-Cyano-7-carbaguanine;7-Cyano-7-deazaguanine"	"C7H5N5O"	"175.0494"	"M+K+CF3COOH"	152.95602
"815624"	194.9682	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M"	0
"980409"	175.94981	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-H2O-H"	-19.01839
"65370"	128.971524	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M-3H"	-3.021828
"504932"	193.960924	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M-3H"	-3.021828
"880546"	63.982124	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-3H"	-3.021828
"10059"	193.960924	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M-2H"	-2.014552
"443056"	291.445024	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M-2H"	-2.014552
"817701"	96.476824	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-2H"	-2.014552
"80490"	388.929124	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M-H"	-1.007276
"523694"	583.897324	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M-H"	-1.007276
"904776"	193.960924	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-H"	-1.007276
"48343"	405.955671	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M-2H+NH4"	16.019271
"489236"	600.923871	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M-2H+NH4"	16.019271
"866311"	210.987471	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-2H+NH4"	16.019271
"33486"	410.911066	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M-2H+Na"	20.974666
"474139"	605.879266	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M-2H+Na"	20.974666
"861781"	215.942866	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-2H+Na"	20.974666
"1621474"	215.942866	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Na-2H"	20.974666
"98003"	211.949263	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M-H+Cl"	33.962126
"539752"	309.433363	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M-H+Cl"	33.962126
"933266"	114.465163	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-H+Cl"	33.962126
"267809"	424.905802	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+Cl"	34.969402
"666435"	619.874002	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+Cl"	34.969402
"1285767"	229.937602	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Cl"	34.969402
"21396"	426.885006	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M-2H+K"	36.948606
"467518"	621.853206	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M-2H+K"	36.948606
"848227"	231.916806	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-2H+K"	36.948606
"1571151"	231.916806	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+K-2H"	36.948606
"958160"	239.966394	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-H+HCOOH"	44.998194
"375643"	434.934601	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+HCOOH-H"	44.998201
"360503"	448.950251	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+Hac-H"	59.013851
"1507399"	253.982051	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Hac-H"	59.013851
"973729"	261.948351	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-H+NaCOOH"	66.980151
"123355"	229.937602	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+2Cl"	69.938804
"554892"	327.421702	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+2Cl"	69.938804
"1029519"	132.453502	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2Cl"	69.938804
"1248733"	273.887085	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Br"	78.918885
"1308995"	275.943072	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Cl+HCOOH"	80.974872
"1325399"	297.925029	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Cl+NaCOOH"	102.956829
"917550"	307.953786	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M-H+CF3COOH"	112.985586
"1294258"	343.930464	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Cl+CF3COOH"	148.962264
"1373513"	159.955524	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H-2H2O"	-35.012676
"1386636"	177.9655	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H-H2O"	-17.0027
"287417"	390.943676	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+H"	1.007276
"683853"	585.911876	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+H"	1.007276
"1357284"	195.975476	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H"	1.007276
"139656"	195.975476	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+2H"	2.014552
"580678"	293.459576	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+2H"	2.014552
"1048382"	98.491376	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2H"	2.014552
"207534"	130.986076	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+3H"	3.021828
"649281"	195.975476	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+3H"	3.021828
"1171779"	65.996676	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+3H"	3.021828
"429584"	407.970223	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+NH4"	18.033823
"793864"	602.938423	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+NH4"	18.033823
"1691289"	213.002023	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+NH4"	18.033823
"342126"	204.4887495	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+H+NH4"	19.041099
"731997"	301.9728495	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+H+NH4"	19.041099
"1486912"	107.0046495	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H+NH4"	19.041099
"405589"	412.925618	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+Na"	22.989218
"767677"	607.893818	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+Na"	22.989218
"1614686"	217.957418	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Na"	22.989218
"324724"	206.966447	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+H+Na"	23.996494
"719332"	304.450547	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+H+Na"	23.996494
"1468777"	109.482347	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H+Na"	23.996494
"1063116"	73.32399	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2H+Na"	25.00377
"1265889"	228.001686	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+CH3OH+H"	33.033486
"380455"	428.899558	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+K"	38.963158
"740721"	623.867758	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+K"	38.963158
"1544233"	233.931358	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+K"	38.963158
"303595"	214.953417	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+H+K"	39.970434
"694924"	312.437517	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+H+K"	39.970434
"1454209"	117.469317	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H+K"	39.970434
"242814"	431.970226	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+ACN+H"	42.033826
"1217707"	237.002026	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+ACN+H"	42.033826
"1197216"	119.004651	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+ACN+2H"	43.041102
"198837"	434.90756	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+2Na-H"	44.97116
"634023"	629.87576	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+2Na-H"	44.97116
"1132909"	239.93936	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2Na-H"	44.97116
"176443"	217.957418	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+2Na"	45.978436
"619286"	315.441518	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+2Na"	45.978436
"1121698"	120.473318	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2Na"	45.978436
"1412880"	80.651304	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H+2Na"	46.985712
"1444266"	241.980946	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H+HCOOH"	47.012746
"232869"	222.99044	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+3H2O+2H"	56.04448
"1517284"	256.03299	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+IsoProp+H"	61.06479
"411136"	225.944388	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+Na+K"	61.952376
"775779"	323.428488	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+Na+K"	61.952376
"1676489"	128.460288	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Na+K"	61.952376
"261552"	453.952168	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+ACN+Na"	64.015768
"1234260"	258.983968	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+ACN+Na"	64.015768
"1719137"	259.007493	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+NH4+HCOOH"	64.039293
"1188500"	87.978618	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+3Na"	68.967654
"1654018"	263.962888	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Na+HCOOH"	68.994688
"163436"	466.85544	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+2K-H"	76.91904
"601900"	661.82364	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+2K-H"	76.91904
"1091882"	271.88724	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2K-H"	76.91904
"146509"	233.931358	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"2M+2K"	77.926316
"590449"	331.415458	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"3M+2K"	77.926316
"1076051"	136.447258	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2K"	77.926316
"1111452"	273.901792	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2K+H"	78.933592
"1343461"	273.989407	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+DMSO+H"	79.021207
"1008709"	278.028576	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2ACN+H"	83.060376
"1529018"	279.022208	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+IsoProp+Na+H"	84.054008
"993283"	139.517926	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+2ACN+2H"	84.067652
"1592156"	279.936828	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+K+HCOOH"	84.968628
"1420002"	309.968338	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+H+CF3COOH"	115.000138
"1159047"	160.031201	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+3ACN+2H"	125.094202
"1709692"	326.994885	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+NH4+CF3COOH"	132.026685
"1642060"	331.95028	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+Na+CF3COOH"	136.98208
"1573699"	347.92422	"C15997"	"Potassium 26-dihydroxytriazinecarboxylate;Potassium oxonate;Oteracil potassium"	"C4H2N3O4K"	"194.9682"	"M+K+CF3COOH"	152.95602
"812454"	165.046	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M"	0
"977239"	146.02761	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H2O-H"	-19.01839
"63292"	109.023390666667	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-3H"	-3.021828
"503949"	164.038724	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-3H"	-3.021828
"882843"	54.0080573333333	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-3H"	-3.021828
"10898"	164.038724	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H"	-2.014552
"443166"	246.561724	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H"	-2.014552
"818177"	81.515724	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H"	-2.014552
"80600"	329.084724	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-H"	-1.007276
"524897"	494.130724	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-H"	-1.007276
"904886"	164.038724	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H"	-1.007276
"47603"	346.111271	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+NH4"	16.019271
"489706"	511.157271	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+NH4"	16.019271
"867879"	181.065271	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+NH4"	16.019271
"33596"	351.066666	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+Na"	20.974666
"474249"	516.112666	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+Na"	20.974666
"862620"	186.020666	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+Na"	20.974666
"1620491"	186.020666	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na-2H"	20.974666
"98113"	182.027063	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-H+Cl"	33.962126
"538769"	264.550063	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-H+Cl"	33.962126
"934470"	99.504063	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+Cl"	33.962126
"274118"	365.061402	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Cl"	34.969402
"665451"	530.107402	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+Cl"	34.969402
"1272906"	200.015402	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl"	34.969402
"21506"	367.040606	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+K"	36.948606
"467628"	532.086606	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+K"	36.948606
"846891"	201.994606	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+K"	36.948606
"1570976"	201.994606	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K-2H"	36.948606
"957541"	210.044194	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+HCOOH"	44.998194
"375752"	375.090201	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+HCOOH-H"	44.998201
"358544"	389.105851	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Hac-H"	59.013851
"1507990"	224.059851	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Hac-H"	59.013851
"973952"	232.026151	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+NaCOOH"	66.980151
"124558"	200.015402	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Cl"	69.938804
"555003"	282.538402	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Cl"	69.938804
"1027443"	117.492402	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2Cl"	69.938804
"1247750"	243.964885	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Br"	78.918885
"1309105"	246.020872	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+HCOOH"	80.974872
"1325509"	268.002829	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+NaCOOH"	102.956829
"914381"	278.031586	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+CF3COOH"	112.985586
"1295464"	314.008264	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+CF3COOH"	148.962264
"1372531"	130.033324	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H-2H2O"	-35.012676
"1387840"	148.0433	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H-H2O"	-17.0027
"285341"	331.099276	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H"	1.007276
"684329"	496.145276	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H"	1.007276
"1357394"	166.053276	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H"	1.007276
"137944"	166.053276	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2H"	2.014552
"574227"	248.576276	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2H"	2.014552
"1045213"	83.530276	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2H"	2.014552
"204727"	111.037942666667	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+3H"	3.021828
"648298"	166.053276	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+3H"	3.021828
"1165329"	56.0226093333333	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+3H"	3.021828
"426414"	348.125823	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+NH4"	18.033823
"793974"	513.171823	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+NH4"	18.033823
"1688119"	183.079823	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4"	18.033823
"341506"	174.5665495	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+NH4"	19.041099
"736114"	257.0895495	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+NH4"	19.041099
"1488114"	92.0435495	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+NH4"	19.041099
"404607"	353.081218	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Na"	22.989218
"766694"	518.127218	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+Na"	22.989218
"1616618"	188.035218	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na"	22.989218
"325927"	177.044247	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+Na"	23.996494
"720535"	259.567247	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+Na"	23.996494
"1475448"	94.521247	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+Na"	23.996494
"1065412"	63.3499233333333	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2H+Na"	25.00377
"1270373"	198.079486	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+CH3OH+H"	33.033486
"380201"	369.055158	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+K"	38.963158
"740466"	534.101158	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+K"	38.963158
"1543250"	204.009158	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K"	38.963158
"305891"	185.031217	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+K"	39.970434
"701593"	267.554217	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+K"	39.970434
"1452132"	102.508217	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+K"	39.970434
"239643"	372.125826	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+ACN+H"	42.033826
"1215630"	207.079826	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+H"	42.033826
"1194768"	104.043551	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+2H"	43.041102
"191291"	375.06316	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Na-H"	44.97116
"634133"	540.10916	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Na-H"	44.97116
"1132123"	210.01716	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2Na-H"	44.97116
"173348"	188.035218	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Na"	45.978436
"613679"	270.558218	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Na"	45.978436
"1115888"	105.512218	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2Na"	45.978436
"1405332"	70.6772373333333	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+2Na"	46.985712
"1438544"	212.058746	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+HCOOH"	47.012746
"224230"	193.06824	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+3H2O+2H"	56.04448
"1516300"	226.11079	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+IsoProp+H"	61.06479
"410518"	196.022188	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Na+K"	61.952376
"775889"	278.545188	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+Na+K"	61.952376
"1670036"	113.499188	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+K"	61.952376
"258744"	394.107768	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+ACN+Na"	64.015768
"1232547"	229.061768	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+Na"	64.015768
"1713166"	229.085293	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4+HCOOH"	64.039293
"1180953"	78.0045513333333	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+3Na"	68.967654
"1651941"	234.040688	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+HCOOH"	68.994688
"162452"	407.01104	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2K-H"	76.91904
"598727"	572.05704	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2K-H"	76.91904
"1090899"	241.96504	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2K-H"	76.91904
"143337"	204.009158	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2K"	77.926316
"591652"	286.532158	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2K"	77.926316
"1076161"	121.486158	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2K"	77.926316
"1111562"	243.979592	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2K+H"	78.933592
"1343571"	244.067207	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+DMSO+H"	79.021207
"1008819"	248.106376	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2ACN+H"	83.060376
"1527306"	249.100008	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+IsoProp+Na+H"	84.054008
"992300"	124.556826	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2ACN+2H"	84.067652
"1590080"	250.014628	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K+HCOOH"	84.968628
"1415738"	280.046138	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+CF3COOH"	115.000138
"1159157"	145.070101	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+3ACN+2H"	125.094202
"1709802"	297.072685	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4+CF3COOH"	132.026685
"1642170"	302.02808	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+CF3COOH"	136.98208
"1573080"	318.00202	"C15998"	"L-Methionine (R)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K+CF3COOH"	152.95602
"812564"	165.046	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M"	0
"978442"	146.02761	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H2O-H"	-19.01839
"63767"	109.023390666667	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-3H"	-3.021828
"506245"	164.038724	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-3H"	-3.021828
"888420"	54.0080573333333	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-3H"	-3.021828
"11372"	164.038724	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H"	-2.014552
"445463"	246.561724	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H"	-2.014552
"819989"	81.515724	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H"	-2.014552
"81075"	329.084724	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-H"	-1.007276
"526101"	494.130724	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-H"	-1.007276
"901716"	164.038724	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H"	-1.007276
"47591"	346.111271	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+NH4"	16.019271
"487753"	511.157271	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+NH4"	16.019271
"864337"	181.065271	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+NH4"	16.019271
"34796"	351.066666	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+Na"	20.974666
"478730"	516.112666	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+Na"	20.974666
"853253"	186.020666	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+Na"	20.974666
"1628253"	186.020666	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na-2H"	20.974666
"95306"	182.027063	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-H+Cl"	33.962126
"542157"	264.550063	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-H+Cl"	33.962126
"930205"	99.504063	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+Cl"	33.962126
"273133"	365.061402	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Cl"	34.969402
"664468"	530.107402	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+Cl"	34.969402
"1273137"	200.015402	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl"	34.969402
"22710"	367.040606	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M-2H+K"	36.948606
"466281"	532.086606	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M-2H+K"	36.948606
"847366"	201.994606	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-2H+K"	36.948606
"1570614"	201.994606	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K-2H"	36.948606
"957567"	210.044194	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+HCOOH"	44.998194
"375861"	375.090201	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+HCOOH-H"	44.998201
"360966"	389.105851	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Hac-H"	59.013851
"1508373"	224.059851	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Hac-H"	59.013851
"972846"	232.026151	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+NaCOOH"	66.980151
"122481"	200.015402	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Cl"	69.938804
"556207"	282.538402	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Cl"	69.938804
"1026825"	117.492402	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2Cl"	69.938804
"1248954"	243.964885	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Br"	78.918885
"1310309"	246.020872	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+HCOOH"	80.974872
"1325255"	268.002829	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+NaCOOH"	102.956829
"915949"	278.031586	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M-H+CF3COOH"	112.985586
"1298853"	314.008264	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Cl+CF3COOH"	148.962264
"1373734"	130.033324	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H-2H2O"	-35.012676
"1392323"	148.0433	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H-H2O"	-17.0027
"286909"	331.099276	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H"	1.007276
"684439"	496.145276	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H"	1.007276
"1357504"	166.053276	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H"	1.007276
"138054"	166.053276	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2H"	2.014552
"576524"	248.576276	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2H"	2.014552
"1044230"	83.530276	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2H"	2.014552
"204958"	111.037942666667	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+3H"	3.021828
"650595"	166.053276	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+3H"	3.021828
"1170906"	56.0226093333333	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+3H"	3.021828
"426524"	348.125823	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+NH4"	18.033823
"789709"	513.171823	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+NH4"	18.033823
"1691510"	183.079823	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4"	18.033823
"343073"	174.5665495	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+NH4"	19.041099
"735496"	257.0895495	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+NH4"	19.041099
"1484944"	92.0435495	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+NH4"	19.041099
"406176"	353.081218	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Na"	22.989218
"766804"	518.127218	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+Na"	22.989218
"1615998"	188.035218	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na"	22.989218
"324943"	177.044247	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+Na"	23.996494
"718457"	259.567247	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+Na"	23.996494
"1473373"	94.521247	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+Na"	23.996494
"1066495"	63.3499233333333	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2H+Na"	25.00377
"1270483"	198.079486	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+CH3OH+H"	33.033486
"383591"	369.055158	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+K"	38.963158
"741306"	534.101158	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+K"	38.963158
"1543359"	204.009158	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K"	38.963158
"306001"	185.031217	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+H+K"	39.970434
"697327"	267.554217	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+H+K"	39.970434
"1448962"	102.508217	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+K"	39.970434
"237562"	372.125826	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+ACN+H"	42.033826
"1210635"	207.079826	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+H"	42.033826
"1194518"	104.043551	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+2H"	43.041102
"190429"	375.06316	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Na-H"	44.97116
"634243"	540.10916	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Na-H"	44.97116
"1131867"	210.01716	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2Na-H"	44.97116
"172876"	188.035218	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2Na"	45.978436
"613137"	270.558218	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2Na"	45.978436
"1115711"	105.512218	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2Na"	45.978436
"1404349"	70.6772373333333	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+2Na"	46.985712
"1435373"	212.058746	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+HCOOH"	47.012746
"230172"	193.06824	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+3H2O+2H"	56.04448
"1513130"	226.11079	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+IsoProp+H"	61.06479
"410628"	196.022188	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+Na+K"	61.952376
"775999"	278.545188	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+Na+K"	61.952376
"1667954"	113.499188	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+K"	61.952376
"257755"	394.107768	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+ACN+Na"	64.015768
"1231560"	229.061768	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+ACN+Na"	64.015768
"1721538"	229.085293	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4+HCOOH"	64.039293
"1183616"	78.0045513333333	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+3Na"	68.967654
"1654603"	234.040688	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+HCOOH"	68.994688
"157818"	407.01104	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2K-H"	76.91904
"599565"	572.05704	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2K-H"	76.91904
"1086634"	241.96504	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2K-H"	76.91904
"143811"	204.009158	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"2M+2K"	77.926316
"588482"	286.532158	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"3M+2K"	77.926316
"1078458"	121.486158	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2K"	77.926316
"1106203"	243.979592	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2K+H"	78.933592
"1341495"	244.067207	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+DMSO+H"	79.021207
"1008929"	248.106376	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2ACN+H"	83.060376
"1528145"	249.100008	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+IsoProp+Na+H"	84.054008
"992410"	124.556826	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+2ACN+2H"	84.067652
"1591283"	250.014628	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K+HCOOH"	84.968628
"1416942"	280.046138	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+H+CF3COOH"	115.000138
"1157080"	145.070101	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+3ACN+2H"	125.094202
"1710641"	297.072685	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+NH4+CF3COOH"	132.026685
"1647748"	302.02808	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+Na+CF3COOH"	136.98208
"1580117"	318.00202	"C15999"	"L-Methionine (S)-S-oxide"	"C5H11NO3S"	"165.046"	"M+K+CF3COOH"	152.95602
"807207"	990.8746	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M"	0
"976365"	971.85621	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-H2O-H"	-19.01839
"68982"	659.575790666667	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M-3H"	-3.021828
"507448"	989.867324	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M-3H"	-3.021828
"884158"	329.284257333333	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-3H"	-3.021828
"11483"	989.867324	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M-2H"	-2.014552
"440960"	1485.304624	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M-2H"	-2.014552
"821192"	494.430024	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-2H"	-2.014552
"79482"	1980.741924	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M-H"	-1.007276
"520016"	2971.616524	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M-H"	-1.007276
"896480"	989.867324	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-H"	-1.007276
"50003"	1997.768471	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M-2H+NH4"	16.019271
"489200"	2988.643071	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M-2H+NH4"	16.019271
"869189"	1006.893871	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-2H+NH4"	16.019271
"34177"	2002.723866	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M-2H+Na"	20.974666
"474468"	2993.598466	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M-2H+Na"	20.974666
"848866"	1011.849266	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-2H+Na"	20.974666
"1621803"	1011.849266	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Na-2H"	20.974666
"96146"	1007.855663	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M-H+Cl"	33.962126
"535706"	1503.292963	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M-H+Cl"	33.962126
"929222"	512.418363	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-H+Cl"	33.962126
"268876"	2016.718602	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+Cl"	34.969402
"663485"	3007.593202	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+Cl"	34.969402
"1286464"	1025.844002	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Cl"	34.969402
"30360"	2018.697806	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M-2H+K"	36.948606
"468216"	3009.572406	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M-2H+K"	36.948606
"846382"	1027.823206	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-2H+K"	36.948606
"1569142"	1027.823206	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+K-2H"	36.948606
"955939"	1035.872794	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-H+HCOOH"	44.998194
"375614"	2026.747401	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+HCOOH-H"	44.998201
"359498"	2040.763051	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+Hac-H"	59.013851
"1506875"	1049.888451	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Hac-H"	59.013851
"964568"	1057.854751	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-H+NaCOOH"	66.980151
"114566"	1025.844002	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+2Cl"	69.938804
"556318"	1521.281302	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+2Cl"	69.938804
"1030578"	530.406702	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2Cl"	69.938804
"1246881"	1069.793485	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Br"	78.918885
"1309330"	1071.849472	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Cl+HCOOH"	80.974872
"1325001"	1093.831429	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Cl+NaCOOH"	102.956829
"915331"	1103.860186	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M-H+CF3COOH"	112.985586
"1294588"	1139.836864	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Cl+CF3COOH"	148.962264
"1373844"	955.861924	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H-2H2O"	-35.012676
"1389159"	973.8719	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H-H2O"	-17.0027
"292129"	1982.756476	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+H"	1.007276
"679080"	2973.631076	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+H"	1.007276
"1357615"	991.881876	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H"	1.007276
"139261"	991.881876	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+2H"	2.014552
"571167"	1487.319176	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+2H"	2.014552
"1041057"	496.444576	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2H"	2.014552
"208955"	661.590342666667	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+3H"	3.021828
"651798"	991.881876	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+3H"	3.021828
"1167736"	331.298809333333	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+3H"	3.021828
"434293"	1999.783023	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+NH4"	18.033823
"793106"	2990.657623	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+NH4"	18.033823
"1694179"	1008.908423	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+NH4"	18.033823
"337719"	1000.3951495	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+H+NH4"	19.041099
"728682"	1495.8324495	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+H+NH4"	19.041099
"1483961"	504.9578495	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H+NH4"	19.041099
"403733"	2004.738418	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+Na"	22.989218
"766551"	2995.613018	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+Na"	22.989218
"1611737"	1013.863818	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Na"	22.989218
"327483"	1002.872847	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+H+Na"	23.996494
"716381"	1498.310147	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+H+Na"	23.996494
"1473483"	507.435547	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H+Na"	23.996494
"1055426"	338.626123333333	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2H+Na"	25.00377
"1264032"	1023.908086	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+CH3OH+H"	33.033486
"378960"	2020.712358	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+K"	38.963158
"741413"	3011.586958	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+K"	38.963158
"1542735"	1029.837758	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+K"	38.963158
"302831"	1010.859817	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+H+K"	39.970434
"696343"	1506.297117	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+H+K"	39.970434
"1445788"	515.422517	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H+K"	39.970434
"236211"	2023.783026	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+ACN+H"	42.033826
"1210744"	1032.908426	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+ACN+H"	42.033826
"1201922"	516.957851	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+ACN+2H"	43.041102
"188684"	2026.72036	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+2Na-H"	44.97116
"628720"	3017.59496	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+2Na-H"	44.97116
"1131580"	1035.84576	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2Na-H"	44.97116
"176775"	1013.863818	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+2Na"	45.978436
"617428"	1509.301118	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+2Na"	45.978436
"1125310"	518.426518	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2Na"	45.978436
"1404460"	345.953437333333	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H+2Na"	46.985712
"1432567"	1037.887346	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H+HCOOH"	47.012746
"219987"	1018.89684	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+3H2O+2H"	56.04448
"1508620"	1051.93939	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+IsoProp+H"	61.06479
"414021"	1021.850788	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+Na+K"	61.952376
"773923"	1517.288088	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+Na+K"	61.952376
"1669161"	526.413488	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Na+K"	61.952376
"251834"	2045.764968	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+ACN+Na"	64.015768
"1228390"	1054.890368	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+ACN+Na"	64.015768
"1713389"	1054.913893	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+NH4+HCOOH"	64.039293
"1180812"	353.280751333333	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+3Na"	68.967654
"1650706"	1059.869288	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Na+HCOOH"	68.994688
"161579"	2058.66824	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+2K-H"	76.91904
"605516"	3049.54284	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+2K-H"	76.91904
"1091121"	1067.79364	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2K-H"	76.91904
"152315"	1029.837758	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"2M+2K"	77.926316
"589688"	1525.275058	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"3M+2K"	77.926316
"1081491"	534.400458	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2K"	77.926316
"1106317"	1069.808192	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2K+H"	78.933592
"1342700"	1069.895807	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+DMSO+H"	79.021207
"1012322"	1073.934976	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2ACN+H"	83.060376
"1529353"	1074.928608	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+IsoProp+Na+H"	84.054008
"995796"	537.471126	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+2ACN+2H"	84.067652
"1591395"	1075.843228	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+K+HCOOH"	84.968628
"1421437"	1105.874738	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+H+CF3COOH"	115.000138
"1159379"	557.984401	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+3ACN+2H"	125.094202
"1707834"	1122.901285	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+NH4+CF3COOH"	132.026685
"1641298"	1127.85668	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+Na+CF3COOH"	136.98208
"1574761"	1143.83062	"C16001"	"Reactive black 5"	"C26H21N5O19S64Na"	"990.8746"	"M+K+CF3COOH"	152.95602
"813884"	1259.6775	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M"	0
"984136"	1240.65911	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-H2O-H"	-19.01839
"66913"	838.777724	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M-3H"	-3.021828
"503002"	1258.670224	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M-3H"	-3.021828
"881358"	418.885224	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-3H"	-3.021828
"1757"	1258.670224	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M-2H"	-2.014552
"440827"	1888.508974	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M-2H"	-2.014552
"817097"	628.831474	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-2H"	-2.014552
"79228"	2518.347724	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M-H"	-1.007276
"519031"	3778.025224	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M-H"	-1.007276
"899750"	1258.670224	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-H"	-1.007276
"50846"	2535.374271	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M-2H+NH4"	16.019271
"488705"	3795.051771	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M-2H+NH4"	16.019271
"866022"	1275.696771	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-2H+NH4"	16.019271
"33924"	2540.329666	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M-2H+Na"	20.974666
"481140"	3800.007166	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M-2H+Na"	20.974666
"853477"	1280.652166	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-2H+Na"	20.974666
"1619731"	1280.652166	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Na-2H"	20.974666
"96261"	1276.658563	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M-H+Cl"	33.962126
"535817"	1906.497313	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M-H+Cl"	33.962126
"933711"	646.819813	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-H+Cl"	33.962126
"277011"	2554.324402	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+Cl"	34.969402
"675155"	3814.001902	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+Cl"	34.969402
"1287801"	1294.646902	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Cl"	34.969402
"30931"	2556.303606	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M-2H+K"	36.948606
"470043"	3815.981106	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M-2H+K"	36.948606
"848166"	1296.626106	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-2H+K"	36.948606
"1570720"	1296.626106	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+K-2H"	36.948606
"955683"	1304.675694	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-H+HCOOH"	44.998194
"373171"	2564.353201	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+HCOOH-H"	44.998201
"357420"	2578.368851	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+Hac-H"	59.013851
"1504431"	1318.691351	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Hac-H"	59.013851
"970146"	1326.657651	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-H+NaCOOH"	66.980151
"122701"	1294.646902	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+2Cl"	69.938804
"559708"	1924.485652	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+2Cl"	69.938804
"1033975"	664.808152	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2Cl"	69.938804
"1252459"	1338.596385	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Br"	78.918885
"1316001"	1340.652372	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Cl+HCOOH"	80.974872
"1326570"	1362.634329	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Cl+NaCOOH"	102.956829
"919090"	1372.663086	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M-H+CF3COOH"	112.985586
"1295802"	1408.639764	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Cl+CF3COOH"	148.962264
"1380533"	1224.664824	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H-2H2O"	-35.012676
"1398029"	1242.6748	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H-H2O"	-17.0027
"298084"	2520.362276	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+H"	1.007276
"691114"	3780.039776	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+H"	1.007276
"1366489"	1260.684776	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H"	1.007276
"136092"	1260.684776	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+2H"	2.014552
"573464"	1890.523526	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+2H"	2.014552
"1044449"	630.846026	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2H"	2.014552
"215634"	840.792276	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+3H"	3.021828
"657386"	1260.684776	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+3H"	3.021828
"1174421"	420.899776	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+3H"	3.021828
"428945"	2537.388823	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+NH4"	18.033823
"799783"	3797.066323	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+NH4"	18.033823
"1687000"	1277.711323	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+NH4"	18.033823
"333456"	1269.1980495	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+H+NH4"	19.041099
"730253"	1899.0367995	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+H+NH4"	19.041099
"1487352"	639.3592995	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H+NH4"	19.041099
"404937"	2542.344218	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+Na"	22.989218
"765934"	3802.021718	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+Na"	22.989218
"1616825"	1282.666718	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Na"	22.989218
"328323"	1271.675747	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+H+Na"	23.996494
"719773"	1901.514497	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+H+Na"	23.996494
"1465939"	641.836997	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H+Na"	23.996494
"1055903"	428.22709	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2H+Na"	25.00377
"1260497"	1292.710986	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+CH3OH+H"	33.033486
"379799"	2558.318158	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+K"	38.963158
"745900"	3817.995658	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+K"	38.963158
"1549047"	1298.640658	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+K"	38.963158
"302943"	1279.662717	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+H+K"	39.970434
"701921"	1909.501467	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+H+K"	39.970434
"1452462"	649.823967	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H+K"	39.970434
"242156"	2561.388826	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+ACN+H"	42.033826
"1210487"	1301.711326	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+ACN+H"	42.033826
"1203126"	651.359301	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+ACN+2H"	43.041102
"193809"	2564.32616	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+2Na-H"	44.97116
"634463"	3824.00366	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+2Na-H"	44.97116
"1137972"	1304.64866	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2Na-H"	44.97116
"181627"	1282.666718	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+2Na"	45.978436
"613769"	1912.505468	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+2Na"	45.978436
"1125422"	652.827968	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2Na"	45.978436
"1404572"	435.554404	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H+2Na"	46.985712
"1436688"	1306.690246	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H+HCOOH"	47.012746
"231849"	1287.69974	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+3H2O+2H"	56.04448
"1515538"	1320.74229	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+IsoProp+H"	61.06479
"408857"	1290.653688	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+Na+K"	61.952376
"774036"	1920.492438	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+Na+K"	61.952376
"1672556"	660.814938	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Na+K"	61.952376
"256888"	2583.370768	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+ACN+Na"	64.015768
"1231788"	1323.693268	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+ACN+Na"	64.015768
"1720675"	1323.716793	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+NH4+HCOOH"	64.039293
"1182022"	442.881718	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+3Na"	68.967654
"1660298"	1328.672188	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Na+HCOOH"	68.994688
"167161"	2596.27404	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+2K-H"	76.91904
"604535"	3855.95154	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+2K-H"	76.91904
"1099258"	1336.59654	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2K-H"	76.91904
"152791"	1298.640658	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"2M+2K"	77.926316
"595634"	1928.479408	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"3M+2K"	77.926316
"1077592"	668.801908	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2K"	77.926316
"1108612"	1338.611092	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2K+H"	78.933592
"1339532"	1338.698707	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+DMSO+H"	79.021207
"1014621"	1342.737876	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2ACN+H"	83.060376
"1532746"	1343.731508	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+IsoProp+Na+H"	84.054008
"999194"	671.872576	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+2ACN+2H"	84.067652
"1592602"	1344.646128	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+K+HCOOH"	84.968628
"1418262"	1374.677638	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+H+CF3COOH"	115.000138
"1159123"	692.385851	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+3ACN+2H"	125.094202
"1707943"	1391.704185	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+NH4+CF3COOH"	132.026685
"1638129"	1396.65958	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+Na+CF3COOH"	136.98208
"1583625"	1412.63352	"C16008"	"T-kinin;Ile-Ser-bradykinin"	"C59H89N17O14"	"1259.6775"	"M+K+CF3COOH"	152.95602
"804156"	196.0888	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M"	0
"974893"	177.07041	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-H2O-H"	-19.01839
"63741"	129.718590666667	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M-3H"	-3.021828
"504394"	195.081524	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M-3H"	-3.021828
"882198"	64.3556573333333	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-3H"	-3.021828
"4053"	195.081524	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M-2H"	-2.014552
"442881"	293.125924	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M-2H"	-2.014552
"821417"	97.037124	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-2H"	-2.014552
"82499"	391.170324	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M-H"	-1.007276
"522061"	587.259124	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M-H"	-1.007276
"905329"	195.081524	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-H"	-1.007276
"60796"	408.196871	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M-2H+NH4"	16.019271
"493803"	604.285671	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M-2H+NH4"	16.019271
"869417"	212.108071	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-2H+NH4"	16.019271
"34280"	413.152266	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M-2H+Na"	20.974666
"472255"	609.241066	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M-2H+Na"	20.974666
"855785"	217.063466	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-2H+Na"	20.974666
"1625316"	217.063466	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Na-2H"	20.974666
"108181"	213.069863	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M-H+Cl"	33.962126
"549553"	311.114263	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M-H+Cl"	33.962126
"939297"	115.025463	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-H+Cl"	33.962126
"282598"	427.147002	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+Cl"	34.969402
"674410"	623.235802	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+Cl"	34.969402
"1286814"	231.058202	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Cl"	34.969402
"30591"	429.126206	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M-2H+K"	36.948606
"469903"	625.215006	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M-2H+K"	36.948606
"844788"	233.037406	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-2H+K"	36.948606
"1566089"	233.037406	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+K-2H"	36.948606
"952877"	241.086994	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-H+HCOOH"	44.998194
"374374"	437.175801	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+HCOOH-H"	44.998201
"356071"	451.191451	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+Hac-H"	59.013851
"1504179"	255.102651	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Hac-H"	59.013851
"970624"	263.068951	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-H+NaCOOH"	66.980151
"122810"	231.058202	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+2Cl"	69.938804
"557630"	329.102602	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+2Cl"	69.938804
"1025339"	133.013802	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2Cl"	69.938804
"1248198"	275.007685	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Br"	78.918885
"1319156"	277.063672	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Cl+HCOOH"	80.974872
"1332520"	299.045629	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Cl+NaCOOH"	102.956829
"922485"	309.074386	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M-H+CF3COOH"	112.985586
"1293725"	345.051064	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Cl+CF3COOH"	148.962264
"1376268"	161.076124	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H-2H2O"	-35.012676
"1395587"	179.0861	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H-H2O"	-17.0027
"291264"	393.184876	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+H"	1.007276
"684779"	589.273676	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+H"	1.007276
"1357848"	197.096076	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H"	1.007276
"137298"	197.096076	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+2H"	2.014552
"577955"	295.140476	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+2H"	2.014552
"1048943"	99.051676	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2H"	2.014552
"208824"	131.733142666667	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+3H"	3.021828
"655311"	197.096076	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+3H"	3.021828
"1173438"	66.3702093333333	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+3H"	3.021828
"430513"	410.211423	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+NH4"	18.033823
"797706"	606.300223	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+NH4"	18.033823
"1684195"	214.122623	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+NH4"	18.033823
"331380"	205.6093495	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+H+NH4"	19.041099
"724530"	303.6537495	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+H+NH4"	19.041099
"1487463"	107.5649495	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H+NH4"	19.041099
"407232"	415.166818	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+Na"	22.989218
"763854"	611.255618	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+Na"	22.989218
"1613047"	219.078018	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Na"	22.989218
"323086"	208.087047	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+H+Na"	23.996494
"716602"	306.131447	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+H+Na"	23.996494
"1467142"	110.042647	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H+Na"	23.996494
"1063668"	73.6975233333333	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2H+Na"	25.00377
"1258784"	229.122286	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+CH3OH+H"	33.033486
"378329"	431.140758	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+K"	38.963158
"748198"	627.229558	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+K"	38.963158
"1548064"	235.051958	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+K"	38.963158
"309610"	216.074017	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+H+K"	39.970434
"695470"	314.118417	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+H+K"	39.970434
"1452573"	118.029617	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H+K"	39.970434
"241176"	434.211426	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+ACN+H"	42.033826
"1213888"	238.122626	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+ACN+H"	42.033826
"1198865"	119.564951	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+ACN+2H"	43.041102
"193193"	437.14876	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+2Na-H"	44.97116
"632389"	633.23756	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+2Na-H"	44.97116
"1137353"	241.05996	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2Na-H"	44.97116
"178457"	219.078018	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+2Na"	45.978436
"623118"	317.122418	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+2Na"	45.978436
"1127719"	121.033618	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2Na"	45.978436
"1405778"	81.0248373333333	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H+2Na"	46.985712
"1437895"	243.101546	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H+HCOOH"	47.012746
"229782"	224.11104	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+3H2O+2H"	56.04448
"1521489"	257.15359	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+IsoProp+H"	61.06479
"417528"	227.064988	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+Na+K"	61.952376
"779618"	325.109388	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+Na+K"	61.952376
"1674854"	129.020588	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Na+K"	61.952376
"260281"	456.193368	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+ACN+Na"	64.015768
"1235180"	260.104568	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+ACN+Na"	64.015768
"1719691"	260.128093	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+NH4+HCOOH"	64.039293
"1183952"	88.3521513333333	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+3Na"	68.967654
"1660408"	265.083488	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Na+HCOOH"	68.994688
"168363"	469.09664	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+2K-H"	76.91904
"603915"	665.18544	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+2K-H"	76.91904
"1093531"	273.00784	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2K-H"	76.91904
"151442"	235.051958	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"2M+2K"	77.926316
"588816"	333.096358	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"3M+2K"	77.926316
"1079888"	137.007558	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2K"	77.926316
"1107631"	275.022392	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2K+H"	78.933592
"1340735"	275.110007	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+DMSO+H"	79.021207
"1009264"	279.149176	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2ACN+H"	83.060376
"1525322"	280.142808	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+IsoProp+Na+H"	84.054008
"994932"	140.078226	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+2ACN+2H"	84.067652
"1592717"	281.057428	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+K+HCOOH"	84.968628
"1427130"	311.088938	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+H+CF3COOH"	115.000138
"1158511"	160.591501	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+3ACN+2H"	125.094202
"1703686"	328.115485	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+NH4+CF3COOH"	132.026685
"1639340"	333.07088	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+Na+CF3COOH"	136.98208
"1571708"	349.04482	"C16014"	"cis-Stilbene oxide"	"C14H12O"	"196.0888"	"M+K+CF3COOH"	152.95602
"804266"	214.0994	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M"	0
"975606"	195.08101	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-H2O-H"	-19.01839
"64699"	141.725657333333	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M-3H"	-3.021828
"505595"	213.092124	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M-3H"	-3.021828
"883400"	70.3591906666667	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-3H"	-3.021828
"4164"	213.092124	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M-2H"	-2.014552
"442991"	320.141824	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M-2H"	-2.014552
"822620"	106.042424	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-2H"	-2.014552
"81879"	427.191524	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M-H"	-1.007276
"522168"	641.290924	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M-H"	-1.007276
"901065"	213.092124	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-H"	-1.007276
"55439"	444.218071	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M-2H+NH4"	16.019271
"497193"	658.317471	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M-2H+NH4"	16.019271
"869527"	230.118671	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-2H+NH4"	16.019271
"34148"	449.173466	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M-2H+Na"	20.974666
"472368"	663.272866	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M-2H+Na"	20.974666
"858081"	235.074066	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-2H+Na"	20.974666
"1626519"	235.074066	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Na-2H"	20.974666
"109671"	231.080463	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M-H+Cl"	33.962126
"549743"	338.130163	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M-H+Cl"	33.962126
"940500"	124.030763	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-H+Cl"	33.962126
"282755"	463.168202	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+Cl"	34.969402
"675590"	677.267602	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+Cl"	34.969402
"1286924"	249.068802	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Cl"	34.969402
"31350"	465.147406	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M-2H+K"	36.948606
"470013"	679.246806	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M-2H+K"	36.948606
"845627"	251.048006	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-2H+K"	36.948606
"1570208"	251.048006	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+K-2H"	36.948606
"956268"	259.097594	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-H+HCOOH"	44.998194
"374484"	473.197001	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+HCOOH-H"	44.998201
"356181"	487.212651	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+Hac-H"	59.013851
"1505015"	273.113251	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Hac-H"	59.013851
"971828"	281.079551	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-H+NaCOOH"	66.980151
"122920"	249.068802	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+2Cl"	69.938804
"555553"	356.118502	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+2Cl"	69.938804
"1025449"	142.019102	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2Cl"	69.938804
"1249401"	293.018285	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Br"	78.918885
"1317322"	295.074272	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Cl+HCOOH"	80.974872
"1332630"	317.056229	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Cl+NaCOOH"	102.956829
"923688"	327.084986	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M-H+CF3COOH"	112.985586
"1292742"	363.061664	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Cl+CF3COOH"	148.962264
"1376378"	179.086724	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H-2H2O"	-35.012676
"1395697"	197.0967	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H-H2O"	-17.0027
"291374"	429.206076	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+H"	1.007276
"681609"	643.305476	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+H"	1.007276
"1357958"	215.106676	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H"	1.007276
"135221"	215.106676	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+2H"	2.014552
"574780"	322.156376	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+2H"	2.014552
"1045772"	108.056976	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2H"	2.014552
"208934"	143.740209333333	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+3H"	3.021828
"650681"	215.106676	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+3H"	3.021828
"1174641"	72.3737426666667	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+3H"	3.021828
"431718"	446.232623	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+NH4"	18.033823
"798546"	660.332023	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+NH4"	18.033823
"1687221"	232.133223	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+NH4"	18.033823
"334406"	223.6199495	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+H+NH4"	19.041099
"725004"	330.6696495	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+H+NH4"	19.041099
"1484293"	116.5702495	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H+NH4"	19.041099
"404062"	451.188018	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+Na"	22.989218
"768336"	665.287418	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+Na"	22.989218
"1613157"	237.088618	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Na"	22.989218
"326476"	226.097647	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+H+Na"	23.996494
"713430"	333.147347	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+H+Na"	23.996494
"1462391"	119.047947	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H+Na"	23.996494
"1057218"	79.7010566666667	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2H+Na"	25.00377
"1262177"	247.132886	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+CH3OH+H"	33.033486
"380752"	467.161958	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+K"	38.963158
"746122"	681.261358	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+K"	38.963158
"1544895"	253.062558	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+K"	38.963158
"308627"	234.084617	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+H+K"	39.970434
"693394"	341.134317	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+H+K"	39.970434
"1449402"	127.034917	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H+K"	39.970434
"243475"	470.232626	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+ACN+H"	42.033826
"1215091"	256.133226	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+ACN+H"	42.033826
"1202255"	128.570251	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+ACN+2H"	43.041102
"192939"	473.16996	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+2Na-H"	44.97116
"631404"	687.26936	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+2Na-H"	44.97116
"1138190"	259.07056	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2Na-H"	44.97116
"183670"	237.088618	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+2Na"	45.978436
"622135"	344.138318	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+2Na"	45.978436
"1125641"	130.038918	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2Na"	45.978436
"1405888"	87.0283706666667	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H+2Na"	46.985712
"1438005"	261.112146	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H+HCOOH"	47.012746
"229892"	242.12164	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+3H2O+2H"	56.04448
"1521235"	275.16419	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+IsoProp+H"	61.06479
"417638"	245.075588	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+Na+K"	61.952376
"780821"	352.125288	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+Na+K"	61.952376
"1674964"	138.025888	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Na+K"	61.952376
"260391"	492.214568	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+ACN+Na"	64.015768
"1237476"	278.115168	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+ACN+Na"	64.015768
"1721987"	278.138693	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+NH4+HCOOH"	64.039293
"1180782"	94.3556846666667	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+3Na"	68.967654
"1660518"	283.094088	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Na+HCOOH"	68.994688
"165193"	505.11784	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+2K-H"	76.91904
"605847"	719.21724	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+2K-H"	76.91904
"1095827"	291.01844	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2K-H"	76.91904
"152282"	253.062558	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"2M+2K"	77.926316
"592208"	360.112258	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"3M+2K"	77.926316
"1078905"	146.012858	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2K"	77.926316
"1107741"	293.032992	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2K+H"	78.933592
"1341937"	293.120607	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+DMSO+H"	79.021207
"1009374"	297.159776	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2ACN+H"	83.060376
"1527498"	298.153408	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+IsoProp+Na+H"	84.054008
"992855"	149.083526	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+2ACN+2H"	84.067652
"1592827"	299.068028	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+K+HCOOH"	84.968628
"1427969"	329.099538	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+H+CF3COOH"	115.000138
"1159714"	169.596801	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+3ACN+2H"	125.094202
"1703796"	346.126085	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+NH4+CF3COOH"	132.026685
"1639450"	351.08148	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+Na+CF3COOH"	136.98208
"1571819"	367.05542	"C16015"	"()-(1R2R)-12-Diphenylethane-12-diol"	"C14H14O2"	"214.0994"	"M+K+CF3COOH"	152.95602
"804387"	204.1878	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M"	0
"981206"	185.16941	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"70543"	135.117924	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"515570"	203.180524	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892278"	67.055324	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13787"	203.180524	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"453710"	305.274424	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"828965"	101.086624	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92234"	407.368324	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532764"	611.556124	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"908500"	203.180524	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"60325"	424.394871	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"500611"	628.582671	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876225"	220.207071	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"43032"	429.350266	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479313"	633.538066	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854927"	225.162466	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1622273"	225.162466	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97710"	221.168863	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"540550"	323.262763	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930785"	119.074963	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269340"	443.345002	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"668323"	647.532802	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280731"	239.157202	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"24380"	445.324206	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"467221"	649.512006	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847577"	241.136406	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1569972"	241.136406	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"958105"	249.185994	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"376681"	453.373801	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356310"	467.389451	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506236"	263.201651	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967218"	271.167951	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"121593"	239.157202	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"560061"	341.251102	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1025944"	137.063302	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251720"	283.106685	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1314169"	285.162672	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332396"	307.144629	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921631"	317.173386	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302350"	353.150064	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1380149"	169.175124	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394365"	187.1851	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"296966"	409.382876	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"691133"	613.570676	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1361364"	205.195076	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H"	1.007276
"133157"	205.195076	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"574908"	307.288976	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1046988"	103.101176	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"214525"	137.132476	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"655180"	205.195076	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1176588"	69.069876	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436579"	426.409423	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799033"	630.597223	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695001"	222.221623	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345619"	213.7083495	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737886"	315.8022495	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1491338"	111.6144495	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"405284"	431.364818	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"769563"	635.552618	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1616200"	227.177018	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"329520"	216.186047	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"722776"	318.279947	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1476614"	114.092147	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1068292"	76.39719	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1272674"	237.221286	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"392746"	447.338758	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"753658"	651.526558	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1555434"	243.150958	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+K"	38.963158
"314222"	224.173017	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"705550"	326.266917	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1451719"	122.079117	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249812"	450.409426	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1223968"	246.221626	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207498"	123.614451	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202190"	453.34676	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"641018"	657.53456	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1144883"	249.15896	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"184899"	227.177018	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"625551"	329.270918	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1128333"	125.083118	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1411858"	83.724504	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443609"	251.200546	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"232214"	232.21004	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1521732"	265.25259	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"420326"	235.163988	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783754"	337.257888	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678749"	133.070088	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"265628"	472.391368	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1240404"	268.203568	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1726858"	268.227093	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1192940"	91.051818	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1664899"	273.182488	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"171882"	485.29464	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601600"	689.48244	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1084643"	281.10684	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"143047"	243.150958	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"583946"	345.244858	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079031"	141.057058	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1106774"	283.121392	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337081"	283.209007	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1009865"	287.248176	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1526286"	288.241808	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"991885"	144.127726	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1595139"	289.156428	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1416426"	319.187938	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1151454"	164.641001	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1708295"	336.214485	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1642854"	341.16988	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1580690"	357.14382	"C16028"	"Amorpha-411-diene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"814347"	224.1062	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M"	0
"981320"	205.08781	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-H2O-H"	-19.01839
"73936"	148.396857333333	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M-3H"	-3.021828
"518118"	223.098924	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M-3H"	-3.021828
"895400"	73.6947906666667	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-3H"	-3.021828
"14988"	223.098924	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M-2H"	-2.014552
"454790"	335.152024	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M-2H"	-2.014552
"831256"	111.045824	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-2H"	-2.014552
"91614"	447.205124	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M-H"	-1.007276
"532263"	671.311324	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M-H"	-1.007276
"908972"	223.098924	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-H"	-1.007276
"61160"	464.231671	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M-2H+NH4"	16.019271
"502425"	688.337871	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M-2H+NH4"	16.019271
"876337"	240.125471	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-2H+NH4"	16.019271
"36585"	469.187066	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M-2H+Na"	20.974666
"475050"	693.293266	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M-2H+Na"	20.974666
"853944"	245.080866	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-2H+Na"	20.974666
"1626755"	245.080866	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Na-2H"	20.974666
"98914"	241.087263	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M-H+Cl"	33.962126
"539567"	353.140363	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M-H+Cl"	33.962126
"929433"	129.034163	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-H+Cl"	33.962126
"274923"	483.181802	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+Cl"	34.969402
"670627"	707.288002	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+Cl"	34.969402
"1284123"	259.075602	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Cl"	34.969402
"27776"	485.161006	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M-2H+K"	36.948606
"467337"	709.267206	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M-2H+K"	36.948606
"842952"	261.054806	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-2H+K"	36.948606
"1567534"	261.054806	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+K-2H"	36.948606
"955055"	269.104394	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-H+HCOOH"	44.998194
"374364"	493.210601	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+HCOOH-H"	44.998201
"353142"	507.226251	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+Hac-H"	59.013851
"1499056"	283.120051	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Hac-H"	59.013851
"968421"	291.086351	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-H+NaCOOH"	66.980151
"114414"	259.075602	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+2Cl"	69.938804
"556891"	371.128702	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+2Cl"	69.938804
"1034437"	147.022502	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2Cl"	69.938804
"1254385"	303.025085	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Br"	78.918885
"1316102"	305.081072	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Cl+HCOOH"	80.974872
"1334693"	327.063029	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Cl+NaCOOH"	102.956829
"925755"	337.091786	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M-H+CF3COOH"	112.985586
"1302096"	373.068464	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Cl+CF3COOH"	148.962264
"1375520"	189.093524	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H-2H2O"	-35.012676
"1397028"	207.1035	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H-H2O"	-17.0027
"297808"	449.219676	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+H"	1.007276
"685489"	673.325876	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+H"	1.007276
"1361475"	225.113476	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H"	1.007276
"133998"	225.113476	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+2H"	2.014552
"572829"	337.166576	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+2H"	2.014552
"1051477"	113.060376	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2H"	2.014552
"219376"	150.411409333333	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+3H"	3.021828
"656383"	225.113476	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+3H"	3.021828
"1175237"	75.7093426666667	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+3H"	3.021828
"435228"	466.246223	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+NH4"	18.033823
"796952"	690.352423	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+NH4"	18.033823
"1694744"	242.140023	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+NH4"	18.033823
"343023"	233.6267495	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+H+NH4"	19.041099
"733620"	345.6798495	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+H+NH4"	19.041099
"1490722"	121.5736495	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H+NH4"	19.041099
"402111"	471.201618	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+Na"	22.989218
"767849"	695.307818	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+Na"	22.989218
"1615587"	247.095418	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Na"	22.989218
"324535"	236.104447	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+H+Na"	23.996494
"720237"	348.157547	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+H+Na"	23.996494
"1469683"	124.051347	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H+Na"	23.996494
"1064025"	83.0366566666667	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2H+Na"	25.00377
"1265699"	257.139686	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+CH3OH+H"	33.033486
"391567"	487.175558	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+K"	38.963158
"752927"	711.281758	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+K"	38.963158
"1554982"	263.069358	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+K"	38.963158
"312155"	244.091417	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+H+K"	39.970434
"706991"	356.144517	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+H+K"	39.970434
"1461158"	132.038317	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H+K"	39.970434
"247005"	490.246226	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+ACN+H"	42.033826
"1222995"	266.140026	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+ACN+H"	42.033826
"1207973"	133.573651	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+ACN+2H"	43.041102
"202303"	493.18356	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+2Na-H"	44.97116
"642227"	717.28976	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+2Na-H"	44.97116
"1145008"	269.07736	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2Na-H"	44.97116
"187981"	247.095418	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+2Na"	45.978436
"627131"	359.148518	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+2Na"	45.978436
"1130639"	135.042318	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2Na"	45.978436
"1413429"	90.3639706666667	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H+2Na"	46.985712
"1444813"	271.118946	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H+HCOOH"	47.012746
"234873"	252.12844	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+3H2O+2H"	56.04448
"1523864"	285.17099	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+IsoProp+H"	61.06479
"417887"	255.082388	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+Na+K"	61.952376
"776694"	367.135488	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+Na+K"	61.952376
"1674116"	143.029288	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Na+K"	61.952376
"259543"	512.228168	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+ACN+Na"	64.015768
"1235527"	288.121968	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+ACN+Na"	64.015768
"1718946"	288.145493	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+NH4+HCOOH"	64.039293
"1184300"	97.6912846666667	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+3Na"	68.967654
"1656381"	293.100888	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Na+HCOOH"	68.994688
"166521"	525.13144	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+2K-H"	76.91904
"602801"	749.23764	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+2K-H"	76.91904
"1091689"	301.02524	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2K-H"	76.91904
"149600"	263.069358	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"2M+2K"	77.926316
"585880"	375.122458	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"3M+2K"	77.926316
"1072581"	151.016258	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2K"	77.926316
"1102022"	303.039792	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2K+H"	78.933592
"1342175"	303.127407	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+DMSO+H"	79.021207
"1021004"	307.166576	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2ACN+H"	83.060376
"1537950"	308.160208	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+IsoProp+Na+H"	84.054008
"1002939"	154.086926	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+2ACN+2H"	84.067652
"1594160"	309.074828	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+K+HCOOH"	84.968628
"1415569"	339.106338	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+H+CF3COOH"	115.000138
"1157767"	174.600201	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+3ACN+2H"	125.094202
"1711578"	356.132885	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+NH4+CF3COOH"	132.026685
"1649853"	361.08828	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+Na+CF3COOH"	136.98208
"1584089"	377.06222	"C16038"	"2-Amino-1-methyl-6-phenylimidazo45-bpyridine;PhIP"	"C13H12N4"	"224.1062"	"M+K+CF3COOH"	152.95602
"807903"	1807.9805	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M"	0
"981441"	1788.96211	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-H2O-H"	-19.01839
"74055"	1204.31305733333	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M-3H"	-3.021828
"515802"	1806.973224	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M-3H"	-3.021828
"892510"	601.652890666667	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-3H"	-3.021828
"14365"	1806.973224	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M-2H"	-2.014552
"452832"	2710.963474	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M-2H"	-2.014552
"829540"	902.982974	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-2H"	-2.014552
"89532"	3614.953724	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M-H"	-1.007276
"529093"	5422.934224	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M-H"	-1.007276
"897180"	1806.973224	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-H"	-1.007276
"50339"	3631.980271	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M-2H+NH4"	16.019271
"495366"	5439.960771	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M-2H+NH4"	16.019271
"869888"	1823.999771	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-2H+NH4"	16.019271
"37787"	3636.935666	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M-2H+Na"	20.974666
"477350"	5444.916166	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M-2H+Na"	20.974666
"856249"	1828.955166	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-2H+Na"	20.974666
"1630524"	1828.955166	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Na-2H"	20.974666
"100127"	1824.961563	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M-H+Cl"	33.962126
"538595"	2728.951813	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M-H+Cl"	33.962126
"933203"	920.971313	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-H+Cl"	33.962126
"273946"	3650.930402	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+Cl"	34.969402
"666370"	5458.910902	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+Cl"	34.969402
"1277315"	1842.949902	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Cl"	34.969402
"20964"	3652.909606	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M-2H+K"	36.948606
"460162"	5460.890106	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M-2H+K"	36.948606
"836504"	1844.929106	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-2H+K"	36.948606
"1561086"	1844.929106	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+K-2H"	36.948606
"944958"	1852.978694	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-H+HCOOH"	44.998194
"363904"	3660.959201	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+HCOOH-H"	44.998201
"350705"	3674.974851	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+Hac-H"	59.013851
"1498080"	1866.994351	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Hac-H"	59.013851
"964163"	1874.960651	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-H+NaCOOH"	66.980151
"118538"	1842.949902	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+2Cl"	69.938804
"561015"	2746.940152	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+2Cl"	69.938804
"1029084"	938.959652	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2Cl"	69.938804
"1253402"	1886.899385	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Br"	78.918885
"1317676"	1888.955372	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Cl+HCOOH"	80.974872
"1332981"	1910.937329	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Cl+NaCOOH"	102.956829
"926471"	1920.966086	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M-H+CF3COOH"	112.985586
"1297467"	1956.942764	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Cl+CF3COOH"	148.962264
"1375631"	1772.967824	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H-2H2O"	-35.012676
"1397503"	1790.9778	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H-H2O"	-17.0027
"293544"	3616.968276	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+H"	1.007276
"683779"	5424.948776	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+H"	1.007276
"1363411"	1808.987776	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H"	1.007276
"139948"	1808.987776	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+2H"	2.014552
"571848"	2712.978026	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+2H"	2.014552
"1046480"	904.997526	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2H"	2.014552
"212923"	1206.32760933333	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+3H"	3.021828
"658326"	1808.987776	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+3H"	3.021828
"1177174"	603.667442666667	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+3H"	3.021828
"438988"	3633.994823	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+NH4"	18.033823
"799987"	5441.975323	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+NH4"	18.033823
"1692308"	1826.014323	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+NH4"	18.033823
"342780"	1817.5010495	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+H+NH4"	19.041099
"737715"	2721.4912995	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+H+NH4"	19.041099
"1490115"	913.5107995	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H+NH4"	19.041099
"402235"	3638.950218	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+Na"	22.989218
"765417"	5446.930718	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+Na"	22.989218
"1613515"	1830.969718	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Na"	22.989218
"325738"	1819.978747	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+H+Na"	23.996494
"720344"	2723.968997	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+H+Na"	23.996494
"1471980"	915.988497	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H+Na"	23.996494
"1061945"	610.994756666667	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2H+Na"	25.00377
"1267997"	1841.013986	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+CH3OH+H"	33.033486
"387668"	3654.924158	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+K"	38.963158
"749760"	5462.904658	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+K"	38.963158
"1551813"	1846.943658	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+K"	38.963158
"310082"	1827.965717	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+H+K"	39.970434
"705785"	2731.955967	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+H+K"	39.970434
"1459242"	923.975467	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H+K"	39.970434
"247115"	3657.994826	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+ACN+H"	42.033826
"1223472"	1850.014326	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+ACN+H"	42.033826
"1207721"	925.510801	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+ACN+2H"	43.041102
"203142"	3660.93216	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+2Na-H"	44.97116
"643431"	5468.91266	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+2Na-H"	44.97116
"1145486"	1852.95166	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2Na-H"	44.97116
"187312"	1830.969718	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+2Na"	45.978436
"628212"	2734.959968	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+2Na"	45.978436
"1121630"	926.979468	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2Na"	45.978436
"1407340"	618.322070666667	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H+2Na"	46.985712
"1437269"	1854.993246	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H+HCOOH"	47.012746
"224779"	1836.00274	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+3H2O+2H"	56.04448
"1522679"	1869.04529	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+IsoProp+H"	61.06479
"421271"	1838.956688	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+Na+K"	61.952376
"782265"	2742.946938	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+Na+K"	61.952376
"1675316"	934.966438	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Na+K"	61.952376
"260742"	3679.976768	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+ACN+Na"	64.015768
"1234545"	1871.996268	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+ACN+Na"	64.015768
"1723431"	1872.019793	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+NH4+HCOOH"	64.039293
"1183683"	625.649384666667	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+3Na"	68.967654
"1655395"	1876.975188	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Na+HCOOH"	68.994688
"163350"	3692.88004	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+2K-H"	76.91904
"602919"	5500.86054	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+2K-H"	76.91904
"1097275"	1884.89954	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2K-H"	76.91904
"156278"	1846.943658	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"2M+2K"	77.926316
"596084"	2750.933908	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"3M+2K"	77.926316
"1079257"	942.953408	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2K"	77.926316
"1112468"	1886.914092	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2K+H"	78.933592
"1342294"	1887.001707	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+DMSO+H"	79.021207
"1016294"	1891.040876	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2ACN+H"	83.060376
"1535512"	1892.034508	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+IsoProp+Na+H"	84.054008
"995400"	946.024076	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+2ACN+2H"	84.067652
"1602458"	1892.949128	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+K+HCOOH"	84.968628
"1429656"	1922.980638	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+H+CF3COOH"	115.000138
"1157879"	966.537351	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+3ACN+2H"	125.094202
"1710710"	1940.007185	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+NH4+CF3COOH"	132.026685
"1639805"	1944.96258	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+Na+CF3COOH"	136.98208
"1571567"	1960.93652	"C16044"	"Nociceptin;Orphanin FQ"	"C79H129N27O22"	"1807.9805"	"M+K+CF3COOH"	152.95602
"811316"	169.9885	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M"	0
"988861"	150.97011	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H2O-H"	-19.01839
"75281"	112.318390666667	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-3H"	-3.021828
"508279"	168.981224	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-3H"	-3.021828
"893737"	55.6555573333333	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-3H"	-3.021828
"14377"	168.981224	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H"	-2.014552
"448591"	253.975474	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H"	-2.014552
"831862"	83.986974	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H"	-2.014552
"93437"	338.969724	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H"	-1.007276
"532879"	508.958224	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H"	-1.007276
"911126"	168.981224	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H"	-1.007276
"61283"	355.996271	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+NH4"	16.019271
"500965"	525.984771	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+NH4"	16.019271
"876580"	186.007771	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+NH4"	16.019271
"44481"	360.951666	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+Na"	20.974666
"478572"	530.940166	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+Na"	20.974666
"850540"	190.963166	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+Na"	20.974666
"1620435"	190.963166	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na-2H"	20.974666
"96236"	186.969563	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H+Cl"	33.962126
"546377"	271.963813	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H+Cl"	33.962126
"935516"	101.975313	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+Cl"	33.962126
"278447"	374.946402	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Cl"	34.969402
"671962"	544.934902	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Cl"	34.969402
"1282178"	204.957902	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl"	34.969402
"20357"	376.925606	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+K"	36.948606
"458826"	546.914106	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+K"	36.948606
"833143"	206.937106	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+K"	36.948606
"1567772"	206.937106	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K-2H"	36.948606
"948000"	214.986694	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+HCOOH"	44.998194
"371684"	384.975201	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+HCOOH-H"	44.998201
"353383"	398.990851	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Hac-H"	59.013851
"1505499"	229.002351	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Hac-H"	59.013851
"973415"	236.968651	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+NaCOOH"	66.980151
"125239"	204.957902	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Cl"	69.938804
"564432"	289.952152	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Cl"	69.938804
"1035785"	119.963652	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Cl"	69.938804
"1255361"	248.907385	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Br"	78.918885
"1319513"	250.963372	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+HCOOH"	80.974872
"1335457"	272.945329	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+NaCOOH"	102.956829
"926730"	282.974086	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+CF3COOH"	112.985586
"1299788"	318.950764	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+CF3COOH"	148.962264
"1372481"	134.975824	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-2H2O"	-35.012676
"1387791"	152.9858	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-H2O"	-17.0027
"292946"	340.984276	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H"	1.007276
"686462"	510.972776	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H"	1.007276
"1361728"	170.995776	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H"	1.007276
"137894"	170.995776	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2H"	2.014552
"576359"	255.990026	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2H"	2.014552
"1049529"	86.001526	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H"	2.014552
"211962"	114.332942666667	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H"	3.021828
"648968"	170.995776	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+3H"	3.021828
"1172932"	57.6701093333333	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3H"	3.021828
"437664"	358.010823	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+NH4"	18.033823
"795013"	527.999323	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+NH4"	18.033823
"1693533"	188.022323	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4"	18.033823
"344001"	179.5090495	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+NH4"	19.041099
"730966"	264.5032995	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+NH4"	19.041099
"1485880"	94.5147995	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+NH4"	19.041099
"402371"	362.966218	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na"	22.989218
"764463"	532.954718	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na"	22.989218
"1609276"	192.977718	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na"	22.989218
"324782"	181.986747	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+Na"	23.996494
"722633"	266.980997	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+Na"	23.996494
"1476369"	96.992497	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+Na"	23.996494
"1064266"	64.9974233333333	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H+Na"	25.00377
"1268493"	203.021986	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+CH3OH+H"	33.033486
"385609"	378.940158	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+K"	38.963158
"745511"	548.928658	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+K"	38.963158
"1546467"	208.951658	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K"	38.963158
"304734"	189.973717	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+K"	39.970434
"694602"	274.967967	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+K"	39.970434
"1449879"	104.979467	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+K"	39.970434
"248699"	382.010826	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+H"	42.033826
"1223231"	212.022326	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+H"	42.033826
"1208214"	106.514801	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+2H"	43.041102
"203273"	384.94816	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na-H"	44.97116
"643560"	554.93666	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na-H"	44.97116
"1141960"	214.95966	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na-H"	44.97116
"186347"	192.977718	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na"	45.978436
"627729"	277.971968	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na"	45.978436
"1130753"	107.983468	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na"	45.978436
"1412938"	72.3247373333333	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+2Na"	46.985712
"1445057"	217.001246	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+HCOOH"	47.012746
"231467"	198.01074	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H2O+2H"	56.04448
"1520623"	231.05329	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+H"	61.06479
"422496"	200.964688	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na+K"	61.952376
"779118"	285.958938	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na+K"	61.952376
"1675449"	115.970438	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+K"	61.952376
"261975"	403.992768	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+Na"	64.015768
"1235780"	234.004268	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+Na"	64.015768
"1724299"	234.027793	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+HCOOH"	64.039293
"1188924"	79.6520513333333	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3Na"	68.967654
"1661005"	238.983188	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+HCOOH"	68.994688
"163492"	416.89604	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K-H"	76.91904
"612058"	586.88454	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K-H"	76.91904
"1099486"	246.90754	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K-H"	76.91904
"156302"	208.951658	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K"	77.926316
"592703"	293.945908	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K"	77.926316
"1080497"	123.957408	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K"	77.926316
"1113585"	248.922092	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K+H"	78.933592
"1350985"	249.009707	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+DMSO+H"	79.021207
"1020893"	253.048876	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+H"	83.060376
"1531280"	254.042508	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+Na+H"	84.054008
"995540"	127.028076	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+2H"	84.067652
"1596605"	254.957128	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+HCOOH"	84.968628
"1421172"	284.988638	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+CF3COOH"	115.000138
"1158022"	147.541351	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3ACN+2H"	125.094202
"1709759"	302.015185	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+CF3COOH"	132.026685
"1639941"	306.97058	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+CF3COOH"	136.98208
"1572310"	322.94452	"C16069"	"3-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+CF3COOH"	152.95602
"811426"	403.088	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M"	0
"983867"	384.06961	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-H2O-H"	-19.01839
"67735"	267.718057333333	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M-3H"	-3.021828
"507294"	402.080724	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M-3H"	-3.021828
"892754"	133.355390666667	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-3H"	-3.021828
"5860"	402.080724	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M-2H"	-2.014552
"449794"	603.624724	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M-2H"	-2.014552
"829786"	200.536724	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-2H"	-2.014552
"90870"	805.168724	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M-H"	-1.007276
"533229"	1208.256724	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M-H"	-1.007276
"910788"	402.080724	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-H"	-1.007276
"60421"	822.195271	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M-2H+NH4"	16.019271
"499982"	1225.283271	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M-2H+NH4"	16.019271
"874503"	419.107271	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-2H+NH4"	16.019271
"39124"	827.150666	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M-2H+Na"	20.974666
"476130"	1230.238666	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M-2H+Na"	20.974666
"849678"	424.062666	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-2H+Na"	20.974666
"1618558"	424.062666	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Na-2H"	20.974666
"94646"	420.069063	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M-H+Cl"	33.962126
"534441"	621.613063	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M-H+Cl"	33.962126
"935626"	218.525063	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-H+Cl"	33.962126
"278557"	841.145402	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+Cl"	34.969402
"672072"	1244.233402	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+Cl"	34.969402
"1284474"	438.057402	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Cl"	34.969402
"20468"	843.124606	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M-2H+K"	36.948606
"457843"	1246.212606	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M-2H+K"	36.948606
"833172"	440.036606	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-2H+K"	36.948606
"1567882"	440.036606	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+K-2H"	36.948606
"950297"	448.086194	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-H+HCOOH"	44.998194
"371794"	851.174201	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+HCOOH-H"	44.998201
"353493"	865.189851	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+Hac-H"	59.013851
"1501597"	462.101851	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Hac-H"	59.013851
"966595"	470.068151	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-H+NaCOOH"	66.980151
"119876"	438.057402	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+2Cl"	69.938804
"565437"	639.601402	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+2Cl"	69.938804
"1034796"	236.513402	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2Cl"	69.938804
"1252188"	482.006885	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Br"	78.918885
"1317916"	484.062872	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Cl+HCOOH"	80.974872
"1333595"	506.044829	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Cl+NaCOOH"	102.956829
"923188"	516.073586	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M-H+CF3COOH"	112.985586
"1296615"	552.050264	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Cl+CF3COOH"	148.962264
"1368217"	368.075324	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H-2H2O"	-35.012676
"1387901"	386.0853	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H-H2O"	-17.0027
"293056"	807.183276	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+H"	1.007276
"681103"	1210.271276	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+H"	1.007276
"1364748"	404.095276	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H"	1.007276
"136907"	404.095276	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+2H"	2.014552
"575372"	605.639276	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+2H"	2.014552
"1048546"	202.551276	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2H"	2.014552
"209885"	269.732609333333	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+3H"	3.021828
"649807"	404.095276	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+3H"	3.021828
"1173042"	135.369942666667	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+3H"	3.021828
"435222"	824.209823	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+NH4"	18.033823
"791841"	1227.297823	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+NH4"	18.033823
"1692550"	421.121823	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+NH4"	18.033823
"339738"	412.6085495	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+H+NH4"	19.041099
"729983"	614.1525495	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+H+NH4"	19.041099
"1487083"	211.0645495	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H+NH4"	19.041099
"400297"	829.165218	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+Na"	22.989218
"768947"	1232.253218	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+Na"	22.989218
"1611574"	426.077218	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Na"	22.989218
"324893"	415.086247	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+H+Na"	23.996494
"722175"	616.630247	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+H+Na"	23.996494
"1475507"	213.542247	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H+Na"	23.996494
"1064376"	142.697256666667	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2H+Na"	25.00377
"1266053"	436.121486	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+CH3OH+H"	33.033486
"385720"	845.139158	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+K"	38.963158
"745621"	1248.227158	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+K"	38.963158
"1546579"	442.051158	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+K"	38.963158
"301201"	423.073217	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+H+K"	39.970434
"695079"	624.617217	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+H+K"	39.970434
"1447801"	221.529217	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H+K"	39.970434
"250632"	848.209826	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+ACN+H"	42.033826
"1224070"	445.121826	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+ACN+H"	42.033826
"1208932"	223.064551	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+ACN+2H"	43.041102
"202290"	851.14716	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+2Na-H"	44.97116
"640755"	1254.23516	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+2Na-H"	44.97116
"1142070"	448.05916	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2Na-H"	44.97116
"186457"	426.077218	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+2Na"	45.978436
"618362"	627.621218	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+2Na"	45.978436
"1130984"	224.533218	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2Na"	45.978436
"1411591"	150.024570666667	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H+2Na"	46.985712
"1444435"	450.100746	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H+HCOOH"	47.012746
"231577"	431.11024	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+3H2O+2H"	56.04448
"1520733"	464.15279	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+IsoProp+H"	61.06479
"420419"	434.064188	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+Na+K"	61.952376
"780321"	635.608188	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+Na+K"	61.952376
"1675559"	232.520188	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Na+K"	61.952376
"259899"	870.191768	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+ACN+Na"	64.015768
"1234795"	467.103768	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+ACN+Na"	64.015768
"1722587"	467.127293	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+NH4+HCOOH"	64.039293
"1185754"	157.351884666667	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+3Na"	68.967654
"1657835"	472.082688	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Na+HCOOH"	68.994688
"162509"	883.09504	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+2K-H"	76.91904
"612410"	1286.18304	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+2K-H"	76.91904
"1099110"	480.00704	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2K-H"	76.91904
"156775"	442.051158	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"2M+2K"	77.926316
"593906"	643.595158	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"3M+2K"	77.926316
"1082671"	240.507158	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2K"	77.926316
"1113575"	482.021592	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2K+H"	78.933592
"1351139"	482.109207	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+DMSO+H"	79.021207
"1019580"	486.148376	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2ACN+H"	83.060376
"1534669"	487.142008	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+IsoProp+Na+H"	84.054008
"998930"	243.577826	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+2ACN+2H"	84.067652
"1598901"	488.056628	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+K+HCOOH"	84.968628
"1422376"	518.088138	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+H+CF3COOH"	115.000138
"1157038"	264.091101	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+3ACN+2H"	125.094202
"1709869"	535.114685	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+NH4+CF3COOH"	132.026685
"1640051"	540.07008	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+Na+CF3COOH"	136.98208
"1572420"	556.04402	"C16070"	"6-(alpha-D-Glucosaminyl)-1D-myo-inositol 12-cyclic phosphate"	"C12H22NO12P"	"403.088"	"M+K+CF3COOH"	152.95602
"813723"	438.0941	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M"	0
"985070"	419.07571	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-H2O-H"	-19.01839
"67845"	291.055457333333	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M-3H"	-3.021828
"506311"	437.086824	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M-3H"	-3.021828
"888489"	145.024090666667	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-3H"	-3.021828
"5970"	437.086824	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M-2H"	-2.014552
"448811"	656.133874	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M-2H"	-2.014552
"825521"	218.039774	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-2H"	-2.014552
"90980"	875.180924	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M-H"	-1.007276
"531635"	1313.275024	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M-H"	-1.007276
"905062"	437.086824	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-H"	-1.007276
"60531"	892.207471	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M-2H+NH4"	16.019271
"501185"	1330.301571	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M-2H+NH4"	16.019271
"873520"	454.113371	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-2H+NH4"	16.019271
"41420"	897.162866	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M-2H+Na"	20.974666
"475512"	1335.256966	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M-2H+Na"	20.974666
"849664"	459.068766	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-2H+Na"	20.974666
"1620293"	459.068766	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Na-2H"	20.974666
"96091"	455.075163	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M-H+Cl"	33.962126
"534636"	674.122213	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M-H+Cl"	33.962126
"928433"	236.028113	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-H+Cl"	33.962126
"272102"	911.157602	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+Cl"	34.969402
"663431"	1349.251702	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+Cl"	34.969402
"1276930"	473.063502	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Cl"	34.969402
"18392"	913.136806	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M-2H+K"	36.948606
"456859"	1351.230906	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M-2H+K"	36.948606
"833567"	475.042706	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-2H+K"	36.948606
"1559244"	475.042706	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+K-2H"	36.948606
"949314"	483.092294	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-H+HCOOH"	44.998194
"371904"	921.186401	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+HCOOH-H"	44.998201
"353603"	935.202051	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+Hac-H"	59.013851
"1500250"	497.107951	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Hac-H"	59.013851
"967798"	505.074251	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-H+NaCOOH"	66.980151
"118890"	473.063502	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+2Cl"	69.938804
"564652"	692.110552	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+2Cl"	69.938804
"1032720"	254.016452	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2Cl"	69.938804
"1254484"	517.012985	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Br"	78.918885
"1318026"	519.068972	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Cl+HCOOH"	80.974872
"1333334"	541.050929	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Cl+NaCOOH"	102.956829
"922204"	551.079686	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M-H+CF3COOH"	112.985586
"1291258"	587.056364	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Cl+CF3COOH"	148.962264
"1367429"	403.081424	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H-2H2O"	-35.012676
"1385825"	421.0914	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H-H2O"	-17.0027
"293166"	877.195476	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+H"	1.007276
"680484"	1315.289576	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+H"	1.007276
"1363035"	439.101376	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H"	1.007276
"134829"	439.101376	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+2H"	2.014552
"572202"	658.148426	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+2H"	2.014552
"1043189"	220.054326	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2H"	2.014552
"207077"	293.070009333333	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+3H"	3.021828
"646272"	439.101376	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+3H"	3.021828
"1172059"	147.038642666667	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+3H"	3.021828
"435332"	894.222023	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+NH4"	18.033823
"791951"	1332.316123	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+NH4"	18.033823
"1690473"	456.127923	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+NH4"	18.033823
"342032"	447.6146495	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+H+NH4"	19.041099
"733374"	666.6616995	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+H+NH4"	19.041099
"1488286"	228.5675995	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H+NH4"	19.041099
"404781"	899.177418	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+Na"	22.989218
"769423"	1337.271518	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+Na"	22.989218
"1611686"	461.083318	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Na"	22.989218
"326097"	450.092347	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+H+Na"	23.996494
"721070"	669.139397	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+H+Na"	23.996494
"1475255"	231.045297	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H+Na"	23.996494
"1063392"	154.365956666667	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2H+Na"	25.00377
"1266892"	471.127586	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+CH3OH+H"	33.033486
"388381"	915.151358	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+K"	38.963158
"747917"	1353.245458	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+K"	38.963158
"1544502"	477.057258	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+K"	38.963158
"300947"	458.079317	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+H+K"	39.970434
"696282"	677.126367	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+H+K"	39.970434
"1447911"	239.032267	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H+K"	39.970434
"250257"	918.222026	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+ACN+H"	42.033826
"1223087"	480.127926	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+ACN+H"	42.033826
"1207706"	240.567601	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+ACN+2H"	43.041102
"202399"	921.15936	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+2Na-H"	44.97116
"638679"	1359.25346	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+2Na-H"	44.97116
"1142180"	483.06526	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2Na-H"	44.97116
"184380"	461.083318	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+2Na"	45.978436
"617742"	680.130368	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+2Na"	45.978436
"1128907"	242.036268	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2Na"	45.978436
"1407327"	161.693270666667	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H+2Na"	46.985712
"1437618"	485.106846	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H+HCOOH"	47.012746
"227312"	466.11634	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+3H2O+2H"	56.04448
"1516468"	499.15889	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+IsoProp+H"	61.06479
"418340"	469.070288	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+Na+K"	61.952376
"779335"	688.117338	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+Na+K"	61.952376
"1675304"	250.023238	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Na+K"	61.952376
"261833"	940.203968	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+ACN+Na"	64.015768
"1235996"	502.109868	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+ACN+Na"	64.015768
"1719416"	502.133393	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+NH4+HCOOH"	64.039293
"1185864"	169.020584666667	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+3Na"	68.967654
"1656851"	507.088788	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Na+HCOOH"	68.994688
"162619"	953.10724	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+2K-H"	76.91904
"611181"	1391.20134	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+2K-H"	76.91904
"1098852"	515.01314	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2K-H"	76.91904
"156762"	477.057258	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"2M+2K"	77.926316
"595718"	696.104308	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"3M+2K"	77.926316
"1082298"	258.010208	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2K"	77.926316
"1112833"	517.027692	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2K+H"	78.933592
"1351040"	517.115307	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+DMSO+H"	79.021207
"1019932"	521.154476	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2ACN+H"	83.060376
"1534779"	522.148108	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+IsoProp+Na+H"	84.054008
"999040"	261.080876	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+2ACN+2H"	84.067652
"1597918"	523.062728	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+K+HCOOH"	84.968628
"1421392"	553.094238	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+H+CF3COOH"	115.000138
"1154961"	281.594151	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+3ACN+2H"	125.094202
"1709979"	570.120785	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+NH4+CF3COOH"	132.026685
"1640161"	575.07618	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+Na+CF3COOH"	136.98208
"1571679"	591.05012	"C16071"	"Riboflavin cyclic-45-phosphate"	"C17H19N4O8P"	"438.0941"	"M+K+CF3COOH"	152.95602
"810555"	117.0578	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M"	0
"981900"	98.03941	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-H2O-H"	-19.01839
"71236"	77.0312573333333	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M-3H"	-3.021828
"502973"	116.050524	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M-3H"	-3.021828
"889694"	38.0119906666667	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-3H"	-3.021828
"6081"	116.050524	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M-2H"	-2.014552
"445643"	174.579424	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M-2H"	-2.014552
"824538"	57.521624	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-2H"	-2.014552
"88904"	233.108324	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M-H"	-1.007276
"529558"	350.166124	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M-H"	-1.007276
"910646"	116.050524	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-H"	-1.007276
"58456"	250.134871	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M-2H+NH4"	16.019271
"495829"	367.192671	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M-2H+NH4"	16.019271
"869256"	133.077071	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-2H+NH4"	16.019271
"34968"	255.090266	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M-2H+Na"	20.974666
"472341"	372.148066	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M-2H+Na"	20.974666
"848919"	138.032466	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-2H+Na"	20.974666
"1619546"	138.032466	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Na-2H"	20.974666
"94740"	134.038863	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M-H+Cl"	33.962126
"535636"	192.567763	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M-H+Cl"	33.962126
"929282"	75.509963	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-H+Cl"	33.962126
"271122"	269.085002	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+Cl"	34.969402
"664636"	386.142802	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+Cl"	34.969402
"1277038"	152.027202	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Cl"	34.969402
"21784"	271.064206	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M-2H+K"	36.948606
"458184"	388.122006	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M-2H+K"	36.948606
"838054"	154.006406	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-2H+K"	36.948606
"1564822"	154.006406	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+K-2H"	36.948606
"949424"	162.055994	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-H+HCOOH"	44.998194
"368740"	279.113801	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+HCOOH-H"	44.998201
"352624"	293.129451	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+Hac-H"	59.013851
"1503650"	176.071651	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Hac-H"	59.013851
"969002"	184.037951	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-H+NaCOOH"	66.980151
"124473"	152.027202	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+2Cl"	69.938804
"560751"	210.556102	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+2Cl"	69.938804
"1032830"	93.498302	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2Cl"	69.938804
"1251314"	195.976685	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Br"	78.918885
"1317044"	198.032672	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Cl+HCOOH"	80.974872
"1330896"	220.014629	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Cl+NaCOOH"	102.956829
"921222"	230.043386	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M-H+CF3COOH"	112.985586
"1299391"	266.020064	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Cl+CF3COOH"	148.962264
"1376097"	82.045124	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H-2H2O"	-35.012676
"1391408"	100.0551	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H-H2O"	-17.0027
"290001"	235.122876	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+H"	1.007276
"684608"	352.180676	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+H"	1.007276
"1359864"	118.065076	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H"	1.007276
"131658"	118.065076	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+2H"	2.014552
"567208"	176.593976	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+2H"	2.014552
"1043302"	59.536176	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2H"	2.014552
"206097"	79.0458093333333	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+3H"	3.021828
"658060"	118.065076	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+3H"	3.021828
"1177158"	40.0265426666667	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+3H"	3.021828
"435443"	252.149423	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+NH4"	18.033823
"797535"	369.207223	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+NH4"	18.033823
"1691677"	135.091623	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+NH4"	18.033823
"343250"	126.5783495	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+H+NH4"	19.041099
"731297"	185.1072495	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+H+NH4"	19.041099
"1491438"	68.0494495	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H+NH4"	19.041099
"405985"	257.104818	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+Na"	22.989218
"764789"	374.162618	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+Na"	22.989218
"1615077"	140.047018	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Na"	22.989218
"327300"	129.056047	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+H+Na"	23.996494
"722517"	187.584947	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+H+Na"	23.996494
"1475608"	70.527147	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H+Na"	23.996494
"1065690"	47.3538566666667	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2H+Na"	25.00377
"1269555"	150.091286	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+CH3OH+H"	33.033486
"387034"	273.078758	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+K"	38.963158
"744747"	390.136558	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+K"	38.963158
"1545704"	156.020958	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+K"	38.963158
"301784"	137.043017	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+H+K"	39.970434
"693111"	195.571917	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+H+K"	39.970434
"1459703"	78.514117	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H+K"	39.970434
"248673"	276.149426	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+ACN+H"	42.033826
"1224428"	159.091626	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+ACN+H"	42.033826
"1209641"	80.049451	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+ACN+2H"	43.041102
"201414"	279.08676	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+2Na-H"	44.97116
"640607"	396.14456	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+2Na-H"	44.97116
"1135737"	162.02896	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2Na-H"	44.97116
"182305"	140.047018	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+2Na"	45.978436
"621864"	198.575918	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+2Na"	45.978436
"1125368"	81.518118	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2Na"	45.978436
"1405611"	54.6811706666667	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H+2Na"	46.985712
"1435538"	164.070546	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H+HCOOH"	47.012746
"228518"	145.08004	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+3H2O+2H"	56.04448
"1515486"	178.12259	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+IsoProp+H"	61.06479
"416631"	148.033988	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+Na+K"	61.952376
"776168"	206.562888	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+Na+K"	61.952376
"1672508"	89.505088	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Na+K"	61.952376
"257936"	298.131368	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+ACN+Na"	64.015768
"1233923"	181.073568	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+ACN+Na"	64.015768
"1718434"	181.097093	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+NH4+HCOOH"	64.039293
"1185975"	62.0084846666667	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+3Na"	68.967654
"1658056"	186.052488	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Na+HCOOH"	68.994688
"169294"	311.03464	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+2K-H"	76.91904
"611046"	428.09244	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+2K-H"	76.91904
"1099086"	193.97684	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2K-H"	76.91904
"153475"	156.020958	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"2M+2K"	77.926316
"595219"	214.549858	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"3M+2K"	77.926316
"1082408"	97.492058	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2K"	77.926316
"1112701"	195.991392	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2K+H"	78.933592
"1349325"	196.079007	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+DMSO+H"	79.021207
"1011296"	200.118176	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2ACN+H"	83.060376
"1531609"	201.111808	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+IsoProp+Na+H"	84.054008
"1001338"	100.562726	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+2ACN+2H"	84.067652
"1591467"	202.026428	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+K+HCOOH"	84.968628
"1419313"	232.057938	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+H+CF3COOH"	115.000138
"1148506"	121.076001	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+3ACN+2H"	125.094202
"1700247"	249.084485	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+NH4+CF3COOH"	132.026685
"1638084"	254.03988	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+Na+CF3COOH"	136.98208
"1572641"	270.01382	"C16074"	"Phenylacetonitrile;Benzyl cyanide"	"C8H7N"	"117.0578"	"M+K+CF3COOH"	152.95602
"805197"	135.0684	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M"	0
"982010"	116.05001	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-H2O-H"	-19.01839
"71346"	89.038324	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M-3H"	-3.021828
"506531"	134.061124	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M-3H"	-3.021828
"890897"	44.015524	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-3H"	-3.021828
"6191"	134.061124	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M-2H"	-2.014552
"441499"	201.595324	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M-2H"	-2.014552
"824648"	66.526924	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-2H"	-2.014552
"89014"	269.129524	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M-H"	-1.007276
"527480"	404.197924	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M-H"	-1.007276
"910275"	134.061124	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-H"	-1.007276
"58566"	286.156071	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M-2H+NH4"	16.019271
"495939"	421.224471	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M-2H+NH4"	16.019271
"868635"	151.087671	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-2H+NH4"	16.019271
"35442"	291.111466	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M-2H+Na"	20.974666
"472815"	426.179866	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M-2H+Na"	20.974666
"849760"	156.043066	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-2H+Na"	20.974666
"1620384"	156.043066	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Na-2H"	20.974666
"96065"	152.049463	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M-H+Cl"	33.962126
"536598"	219.583663	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M-H+Cl"	33.962126
"927928"	84.515263	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-H+Cl"	33.962126
"274510"	305.106202	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+Cl"	34.969402
"661464"	440.174602	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+Cl"	34.969402
"1278241"	170.037802	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Cl"	34.969402
"20801"	307.085406	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M-2H+K"	36.948606
"459266"	442.153806	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M-2H+K"	36.948606
"838164"	172.017006	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-2H+K"	36.948606
"1559464"	172.017006	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+K-2H"	36.948606
"948441"	180.066594	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-H+HCOOH"	44.998194
"369943"	315.135001	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+HCOOH-H"	44.998201
"352734"	329.150651	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+Hac-H"	59.013851
"1502667"	194.082251	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Hac-H"	59.013851
"972028"	202.048551	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-H+NaCOOH"	66.980151
"123125"	170.037802	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+2Cl"	69.938804
"563046"	237.572002	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+2Cl"	69.938804
"1035126"	102.503602	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2Cl"	69.938804
"1252517"	213.987285	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Br"	78.918885
"1317153"	216.043272	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Cl+HCOOH"	80.974872
"1332463"	238.025229	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Cl+NaCOOH"	102.956829
"921332"	248.053986	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M-H+CF3COOH"	112.985586
"1299136"	284.030664	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Cl+CF3COOH"	148.962264
"1377300"	100.055724	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H-2H2O"	-35.012676
"1393704"	118.0657	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H-H2O"	-17.0027
"293390"	271.144076	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+H"	1.007276
"685811"	406.212476	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+H"	1.007276
"1359974"	136.075676	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H"	1.007276
"130673"	136.075676	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+2H"	2.014552
"568775"	203.609876	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+2H"	2.014552
"1041225"	68.541476	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2H"	2.014552
"208028"	91.052876	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+3H"	3.021828
"658775"	136.075676	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+3H"	3.021828
"1177389"	46.030076	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+3H"	3.021828
"434459"	288.170623	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+NH4"	18.033823
"800196"	423.239023	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+NH4"	18.033823
"1692880"	153.102223	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+NH4"	18.033823
"338985"	144.5889495	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+H+NH4"	19.041099
"734688"	212.1231495	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+H+NH4"	19.041099
"1487415"	77.0547495	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H+NH4"	19.041099
"403908"	293.126018	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+Na"	22.989218
"765992"	428.194418	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+Na"	22.989218
"1615185"	158.057618	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Na"	22.989218
"327046"	147.066647	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+H+Na"	23.996494
"720681"	214.600847	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+H+Na"	23.996494
"1475961"	79.532447	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H+Na"	23.996494
"1067825"	53.35739	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2H+Na"	25.00377
"1270392"	168.101886	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+CH3OH+H"	33.033486
"384957"	309.099958	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+K"	38.963158
"747043"	444.168358	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+K"	38.963158
"1543627"	174.031558	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+K"	38.963158
"300800"	155.053617	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+H+K"	39.970434
"692855"	222.587817	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+H+K"	39.970434
"1458720"	87.519417	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H+K"	39.970434
"249512"	312.170626	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+ACN+H"	42.033826
"1222223"	177.102226	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+ACN+H"	42.033826
"1205376"	89.054751	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+ACN+2H"	43.041102
"202252"	315.10796	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+2Na-H"	44.97116
"639623"	450.17636	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+2Na-H"	44.97116
"1136940"	180.03956	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2Na-H"	44.97116
"179135"	158.057618	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+2Na"	45.978436
"620881"	225.591818	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+2Na"	45.978436
"1125478"	90.523418	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2Na"	45.978436
"1405721"	60.684704	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H+2Na"	46.985712
"1434919"	182.081146	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H+HCOOH"	47.012746
"229721"	163.09064	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+3H2O+2H"	56.04448
"1517782"	196.13319	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+IsoProp+H"	61.06479
"415282"	166.044588	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+Na+K"	61.952376
"776278"	233.578788	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+Na+K"	61.952376
"1668964"	98.510388	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Na+K"	61.952376
"258031"	334.152568	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+ACN+Na"	64.015768
"1234030"	199.084168	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+ACN+Na"	64.015768
"1720729"	199.107693	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+NH4+HCOOH"	64.039293
"1186084"	68.012018	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+3Na"	68.967654
"1655979"	204.063088	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Na+HCOOH"	68.994688
"166125"	347.05584	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+2K-H"	76.91904
"610063"	482.12424	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+2K-H"	76.91904
"1098585"	211.98744	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2K-H"	76.91904
"156260"	174.031558	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"2M+2K"	77.926316
"594236"	241.565758	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"3M+2K"	77.926316
"1083490"	106.497358	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2K"	77.926316
"1113662"	214.001992	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2K+H"	78.933592
"1348223"	214.089607	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+DMSO+H"	79.021207
"1014686"	218.128776	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2ACN+H"	83.060376
"1530625"	219.122408	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+IsoProp+Na+H"	84.054008
"1002541"	109.568026	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+2ACN+2H"	84.067652
"1591577"	220.037028	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+K+HCOOH"	84.968628
"1419423"	250.068538	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+H+CF3COOH"	115.000138
"1148979"	130.081301	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+3ACN+2H"	125.094202
"1701450"	267.095085	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+NH4+CF3COOH"	132.026685
"1638194"	272.05048	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+Na+CF3COOH"	136.98208
"1573844"	288.02442	"C16075"	"(Z)-Phenylacetaldehyde oxime;Z-Phenylacetaldoxime"	"C8H9NO"	"135.0684"	"M+K+CF3COOH"	152.95602
"808606"	1132.5699	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M"	0
"979951"	1113.55151	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-H2O-H"	-19.01839
"76947"	754.039324	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M-3H"	-3.021828
"517238"	1131.562624	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M-3H"	-3.021828
"892125"	376.516024	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-3H"	-3.021828
"13259"	1131.562624	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M-2H"	-2.014552
"454519"	1697.847574	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M-2H"	-2.014552
"831229"	565.277674	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-2H"	-2.014552
"89156"	2264.132524	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M-H"	-1.007276
"525437"	3396.702424	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M-H"	-1.007276
"897040"	1131.562624	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-H"	-1.007276
"50322"	2281.159071	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M-2H+NH4"	16.019271
"490612"	3413.728971	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M-2H+NH4"	16.019271
"865862"	1148.589171	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-2H+NH4"	16.019271
"36318"	2286.114466	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M-2H+Na"	20.974666
"479158"	3418.684366	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M-2H+Na"	20.974666
"855868"	1153.544566	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-2H+Na"	20.974666
"1627587"	1153.544566	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Na-2H"	20.974666
"97557"	1149.550963	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M-H+Cl"	33.962126
"543678"	1715.835913	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M-H+Cl"	33.962126
"931725"	583.266013	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-H+Cl"	33.962126
"275749"	2300.109202	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+Cl"	34.969402
"665983"	3432.679102	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+Cl"	34.969402
"1281666"	1167.539302	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Cl"	34.969402
"18026"	2302.088406	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M-2H+K"	36.948606
"463783"	3434.658306	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M-2H+K"	36.948606
"841585"	1169.518506	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-2H+K"	36.948606
"1567260"	1169.518506	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+K-2H"	36.948606
"955143"	1177.568094	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-H+HCOOH"	44.998194
"376278"	2310.138001	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+HCOOH-H"	44.998201
"358340"	2324.153651	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+Hac-H"	59.013851
"1507660"	1191.583751	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Hac-H"	59.013851
"972162"	1199.550051	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-H+NaCOOH"	66.980151
"119247"	1167.539302	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+2Cl"	69.938804
"560993"	1733.824252	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+2Cl"	69.938804
"1030888"	601.254352	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2Cl"	69.938804
"1253747"	1211.488785	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Br"	78.918885
"1317288"	1213.544772	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Cl+HCOOH"	80.974872
"1333690"	1235.526729	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Cl+NaCOOH"	102.956829
"922563"	1245.555486	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M-H+CF3COOH"	112.985586
"1298179"	1281.532164	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Cl+CF3COOH"	148.962264
"1371966"	1097.557224	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H-2H2O"	-35.012676
"1393838"	1115.5672	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H-H2O"	-17.0027
"286962"	2266.147076	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+H"	1.007276
"685946"	3398.716976	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+H"	1.007276
"1366802"	1133.577176	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H"	1.007276
"139806"	1133.577176	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+2H"	2.014552
"575840"	1699.862126	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+2H"	2.014552
"1039171"	567.292226	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2H"	2.014552
"212539"	756.053876	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+3H"	3.021828
"652100"	1133.577176	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+3H"	3.021828
"1166944"	378.530576	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+3H"	3.021828
"430219"	2283.173623	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+NH4"	18.033823
"796685"	3415.743523	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+NH4"	18.033823
"1690830"	1150.603723	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+NH4"	18.033823
"343483"	1142.0904495	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+H+NH4"	19.041099
"735902"	1708.3753995	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+H+NH4"	19.041099
"1486446"	575.8054995	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H+NH4"	19.041099
"401848"	2288.129018	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+Na"	22.989218
"766123"	3420.698918	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+Na"	22.989218
"1615316"	1155.559118	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Na"	22.989218
"324262"	1144.568147	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+H+Na"	23.996494
"717778"	1710.853097	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+H+Na"	23.996494
"1470509"	578.283197	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H+Na"	23.996494
"1060474"	385.85789	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2H+Na"	25.00377
"1261060"	1165.603386	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+CH3OH+H"	33.033486
"382915"	2304.102958	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+K"	38.963158
"748280"	3436.672858	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+K"	38.963158
"1544863"	1171.533058	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+K"	38.963158
"307512"	1152.555117	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+H+K"	39.970434
"699935"	1718.840067	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+H+K"	39.970434
"1451569"	586.270167	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H+K"	39.970434
"241628"	2307.173626	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+ACN+H"	42.033826
"1215430"	1174.603726	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+ACN+H"	42.033826
"1195544"	587.805501	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+ACN+2H"	43.041102
"189143"	2310.11096	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+2Na-H"	44.97116
"630284"	3442.68086	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+2Na-H"	44.97116
"1133791"	1177.54106	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2Na-H"	44.97116
"174891"	1155.559118	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+2Na"	45.978436
"615178"	1721.844068	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+2Na"	45.978436
"1116505"	589.274168	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2Na"	45.978436
"1400390"	393.185204	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H+2Na"	46.985712
"1431778"	1179.582646	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H+HCOOH"	47.012746
"221835"	1160.59214	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+3H2O+2H"	56.04448
"1510260"	1193.63469	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+IsoProp+H"	61.06479
"409946"	1163.546088	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+Na+K"	61.952376
"772761"	1729.831038	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+Na+K"	61.952376
"1666550"	597.261138	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Na+K"	61.952376
"251856"	2329.155568	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+ACN+Na"	64.015768
"1227603"	1196.585668	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+ACN+Na"	64.015768
"1713940"	1196.609193	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+NH4+HCOOH"	64.039293
"1178555"	400.512518	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+3Na"	68.967654
"1650309"	1201.564588	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Na+HCOOH"	68.994688
"157495"	2342.05884	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+2K-H"	76.91904
"597263"	3474.62874	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+2K-H"	76.91904
"1084325"	1209.48894	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2K-H"	76.91904
"141546"	1171.533058	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"2M+2K"	77.926316
"583413"	1737.818008	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"3M+2K"	77.926316
"1068592"	605.248108	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2K"	77.926316
"1101013"	1211.503492	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2K+H"	78.933592
"1336019"	1211.591107	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+DMSO+H"	79.021207
"1005712"	1215.630276	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2ACN+H"	83.060376
"1524498"	1216.623908	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+IsoProp+Na+H"	84.054008
"990026"	608.318776	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+2ACN+2H"	84.067652
"1587365"	1217.538528	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+K+HCOOH"	84.968628
"1415177"	1247.570038	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+H+CF3COOH"	115.000138
"1147287"	628.832051	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+3ACN+2H"	125.094202
"1702673"	1264.596585	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+NH4+CF3COOH"	132.026685
"1634678"	1269.55198	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+Na+CF3COOH"	136.98208
"1572881"	1285.52592	"C16097"	"Neurokinin A;Substance K;Neuromedin L"	"C50H80N14O14S"	"1132.5699"	"M+K+CF3COOH"	152.95602
"813820"	1209.5311	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M"	0
"982249"	1190.51271	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-H2O-H"	-19.01839
"75964"	805.346790666667	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M-3H"	-3.021828
"516619"	1208.523824	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M-3H"	-3.021828
"892236"	402.169757333333	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-3H"	-3.021828
"11909"	1208.523824	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M-2H"	-2.014552
"453654"	1813.289374	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M-2H"	-2.014552
"830246"	603.758274	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-2H"	-2.014552
"87078"	2418.054924	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M-H"	-1.007276
"529556"	3627.586024	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M-H"	-1.007276
"896171"	1208.523824	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-H"	-1.007276
"48486"	2435.081471	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M-2H+NH4"	16.019271
"488046"	3644.612571	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M-2H+NH4"	16.019271
"865972"	1225.550371	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-2H+NH4"	16.019271
"35333"	2440.036866	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M-2H+Na"	20.974666
"478175"	3649.567966	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M-2H+Na"	20.974666
"855978"	1230.505766	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-2H+Na"	20.974666
"1625510"	1230.505766	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Na-2H"	20.974666
"98761"	1226.512163	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M-H+Cl"	33.962126
"543789"	1831.277713	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M-H+Cl"	33.962126
"931835"	621.746613	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-H+Cl"	33.962126
"268205"	2454.031602	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+Cl"	34.969402
"662813"	3663.562702	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+Cl"	34.969402
"1283962"	1244.500502	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Cl"	34.969402
"19959"	2456.010806	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M-2H+K"	36.948606
"460613"	3665.541906	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M-2H+K"	36.948606
"838415"	1246.479706	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-2H+K"	36.948606
"1567371"	1246.479706	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+K-2H"	36.948606
"953067"	1254.529294	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-H+HCOOH"	44.998194
"374198"	2464.060401	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+HCOOH-H"	44.998201
"354076"	2478.076051	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+Hac-H"	59.013851
"1505828"	1268.544951	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Hac-H"	59.013851
"971182"	1276.511251	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-H+NaCOOH"	66.980151
"122274"	1244.500502	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+2Cl"	69.938804
"561834"	1849.266052	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+2Cl"	69.938804
"1034643"	639.734952	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2Cl"	69.938804
"1254221"	1288.449985	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Br"	78.918885
"1319102"	1290.505972	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Cl+HCOOH"	80.974872
"1330519"	1312.487929	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Cl+NaCOOH"	102.956829
"920488"	1322.516686	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M-H+CF3COOH"	112.985586
"1300477"	1358.493364	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Cl+CF3COOH"	148.962264
"1375356"	1174.518424	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H-2H2O"	-35.012676
"1392855"	1192.5284	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H-H2O"	-17.0027
"293632"	2420.069476	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+H"	1.007276
"686056"	3629.600576	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+H"	1.007276
"1365329"	1210.538376	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H"	1.007276
"136393"	1210.538376	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+2H"	2.014552
"578506"	1815.303926	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+2H"	2.014552
"1050945"	605.772826	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2H"	2.014552
"213741"	807.361342666667	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+3H"	3.021828
"652210"	1210.538376	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+3H"	3.021828
"1170333"	404.184309333333	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+3H"	3.021828
"431419"	2437.096023	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+NH4"	18.033823
"793510"	3646.627123	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+NH4"	18.033823
"1690940"	1227.564923	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+NH4"	18.033823
"342499"	1219.0516495	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+H+NH4"	19.041099
"732732"	1823.8171995	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+H+NH4"	19.041099
"1484369"	614.2860995	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H+NH4"	19.041099
"400862"	2442.051418	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+Na"	22.989218
"765136"	3651.582518	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+Na"	22.989218
"1612146"	1232.520318	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Na"	22.989218
"325465"	1221.529347	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+H+Na"	23.996494
"715702"	1826.294897	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+H+Na"	23.996494
"1467340"	616.763797	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H+Na"	23.996494
"1058398"	411.511623333333	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2H+Na"	25.00377
"1261169"	1242.564586	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+CH3OH+H"	33.033486
"385212"	2458.025358	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+K"	38.963158
"746205"	3667.556458	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+K"	38.963158
"1548255"	1248.494258	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+K"	38.963158
"309804"	1229.516317	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+H+K"	39.970434
"701136"	1834.281867	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+H+K"	39.970434
"1449856"	624.750767	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H+K"	39.970434
"241737"	2461.096026	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+ACN+H"	42.033826
"1213352"	1251.564926	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+ACN+H"	42.033826
"1195037"	626.286101	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+ACN+2H"	43.041102
"190099"	2464.03336	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+2Na-H"	44.97116
"630760"	3673.56446	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+2Na-H"	44.97116
"1136088"	1254.50226	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2Na-H"	44.97116
"175729"	1232.520318	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+2Na"	45.978436
"614559"	1837.285868	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+2Na"	45.978436
"1116974"	627.754768	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2Na"	45.978436
"1401227"	418.838937333333	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H+2Na"	46.985712
"1431156"	1256.543846	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H+HCOOH"	47.012746
"222309"	1237.55334	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+3H2O+2H"	56.04448
"1512195"	1270.59589	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+IsoProp+H"	61.06479
"410786"	1240.507288	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+Na+K"	61.952376
"772150"	1845.272838	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+Na+K"	61.952376
"1666658"	635.741738	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Na+K"	61.952376
"253910"	2483.077968	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+ACN+Na"	64.015768
"1227342"	1273.546868	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+ACN+Na"	64.015768
"1713558"	1273.570393	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+NH4+HCOOH"	64.039293
"1178993"	426.166251333333	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+3Na"	68.967654
"1650580"	1278.525788	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Na+HCOOH"	68.994688
"157567"	2495.98124	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+2K-H"	76.91904
"597575"	3705.51234	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+2K-H"	76.91904
"1084514"	1286.45014	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2K-H"	76.91904
"141655"	1248.494258	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"2M+2K"	77.926316
"582066"	1853.259808	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"3M+2K"	77.926316
"1068765"	643.728708	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2K"	77.926316
"1100233"	1288.464692	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2K+H"	78.933592
"1335847"	1288.552307	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+DMSO+H"	79.021207
"1006088"	1292.591476	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2ACN+H"	83.060376
"1524528"	1293.585108	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+IsoProp+Na+H"	84.054008
"989937"	646.799376	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+2ACN+2H"	84.067652
"1587437"	1294.499728	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+K+HCOOH"	84.968628
"1415410"	1324.531238	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+H+CF3COOH"	115.000138
"1149223"	667.312651	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+3ACN+2H"	125.094202
"1706063"	1341.557785	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+NH4+CF3COOH"	132.026685
"1637340"	1346.51318	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+Na+CF3COOH"	136.98208
"1575178"	1362.48712	"C16098"	"Neurokinin B;Neuromedin K;Tachykinin-3"	"C55H79N13O14S2"	"1209.5311"	"M+K+CF3COOH"	152.95602
"814308"	983.5123	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M"	0
"985657"	964.49391	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-H2O-H"	-19.01839
"72806"	654.667590666667	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M-3H"	-3.021828
"506165"	982.505024	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M-3H"	-3.021828
"887975"	326.830157333333	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-3H"	-3.021828
"1325"	982.505024	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M-2H"	-2.014552
"442103"	1474.261174	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M-2H"	-2.014552
"819177"	490.748874	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-2H"	-2.014552
"81719"	1966.017324	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M-H"	-1.007276
"523102"	2949.529624	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M-H"	-1.007276
"901269"	982.505024	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-H"	-1.007276
"55645"	1983.043871	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M-2H+NH4"	16.019271
"488882"	2966.556171	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M-2H+NH4"	16.019271
"865838"	999.531571	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-2H+NH4"	16.019271
"34711"	1987.999266	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M-2H+Na"	20.974666
"474637"	2971.511566	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M-2H+Na"	20.974666
"854993"	1004.486966	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-2H+Na"	20.974666
"1624526"	1004.486966	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Na-2H"	20.974666
"103241"	1000.493363	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M-H+Cl"	33.962126
"539523"	1492.249513	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M-H+Cl"	33.962126
"931946"	508.737213	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-H+Cl"	33.962126
"273784"	2001.994002	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+Cl"	34.969402
"667299"	2985.506302	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+Cl"	34.969402
"1279706"	1018.481702	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Cl"	34.969402
"26634"	2003.973206	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M-2H+K"	36.948606
"464009"	2987.485506	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M-2H+K"	36.948606
"845090"	1020.460906	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-2H+K"	36.948606
"1566390"	1020.460906	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+K-2H"	36.948606
"956097"	1028.510494	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-H+HCOOH"	44.998194
"372488"	2012.022801	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+HCOOH-H"	44.998201
"357102"	2026.038451	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+Hac-H"	59.013851
"1505206"	1042.526151	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Hac-H"	59.013851
"972747"	1050.492451	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-H+NaCOOH"	66.980151
"121289"	1018.481702	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+2Cl"	69.938804
"563401"	1510.237852	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+2Cl"	69.938804
"1034996"	526.725552	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2Cl"	69.938804
"1255425"	1062.431185	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Br"	78.918885
"1313134"	1064.487172	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Cl+HCOOH"	80.974872
"1329540"	1086.469129	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Cl+NaCOOH"	102.956829
"925345"	1096.497886	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M-H+CF3COOH"	112.985586
"1303390"	1132.474564	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Cl+CF3COOH"	148.962264
"1381671"	948.499624	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H-2H2O"	-35.012676
"1394061"	966.5096	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H-H2O"	-17.0027
"293746"	1968.031876	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+H"	1.007276
"686900"	2951.544176	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+H"	1.007276
"1363614"	984.519576	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H"	1.007276
"135410"	984.519576	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+2H"	2.014552
"572786"	1476.275726	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+2H"	2.014552
"1050699"	492.763426	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2H"	2.014552
"217507"	656.682142666667	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+3H"	3.021828
"657797"	984.519576	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+3H"	3.021828
"1177381"	328.844709333333	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+3H"	3.021828
"438708"	1985.058423	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+NH4"	18.033823
"795815"	2968.570723	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+NH4"	18.033823
"1693238"	1001.546123	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+NH4"	18.033823
"339331"	993.0328495	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+H+NH4"	19.041099
"726651"	1484.7889995	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+H+NH4"	19.041099
"1483386"	501.2766995	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H+NH4"	19.041099
"398785"	1990.013818	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+Na"	22.989218
"760877"	2973.526118	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+Na"	22.989218
"1611163"	1006.501518	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Na"	22.989218
"326669"	995.510547	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+H+Na"	23.996494
"710706"	1487.266697	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+H+Na"	23.996494
"1466349"	503.754397	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H+Na"	23.996494
"1053641"	336.172023333333	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2H+Na"	25.00377
"1258723"	1016.545786	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+CH3OH+H"	33.033486
"380579"	2005.987758	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+K"	38.963158
"738775"	2989.500058	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+K"	38.963158
"1546178"	1022.475458	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+K"	38.963158
"301533"	1003.497517	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+H+K"	39.970434
"693953"	1495.253667	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+H+K"	39.970434
"1451785"	511.741367	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H+K"	39.970434
"240752"	2009.058426	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+ACN+H"	42.033826
"1214189"	1025.546126	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+ACN+H"	42.033826
"1201354"	513.276701	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+ACN+2H"	43.041102
"197505"	2011.99576	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+2Na-H"	44.97116
"634878"	2995.50806	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+2Na-H"	44.97116
"1134734"	1028.48346	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2Na-H"	44.97116
"174745"	1006.501518	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+2Na"	45.978436
"615521"	1498.257668	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+2Na"	45.978436
"1117822"	514.745368	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2Na"	45.978436
"1400982"	343.499337333333	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H+2Na"	46.985712
"1438203"	1030.525046	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H+HCOOH"	47.012746
"223527"	1011.53454	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+3H2O+2H"	56.04448
"1509522"	1044.57709	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+IsoProp+H"	61.06479
"409813"	1014.488488	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+Na+K"	61.952376
"771168"	1506.244638	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+Na+K"	61.952376
"1667136"	522.732338	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Na+K"	61.952376
"252929"	2031.040368	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+ACN+Na"	64.015768
"1227097"	1047.528068	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+ACN+Na"	64.015768
"1714644"	1047.551593	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+NH4+HCOOH"	64.039293
"1179633"	350.826651333333	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+3Na"	68.967654
"1652321"	1052.506988	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Na+HCOOH"	68.994688
"158213"	2043.94364	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+2K-H"	76.91904
"598741"	3027.45594	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+2K-H"	76.91904
"1084835"	1060.43134	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2K-H"	76.91904
"143236"	1022.475458	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"2M+2K"	77.926316
"582056"	1514.231608	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"3M+2K"	77.926316
"1068882"	530.719308	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2K"	77.926316
"1103557"	1062.445892	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2K+H"	78.933592
"1336898"	1062.533507	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+DMSO+H"	79.021207
"1008473"	1066.572676	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2ACN+H"	83.060376
"1525256"	1067.566308	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+IsoProp+Na+H"	84.054008
"997419"	533.789976	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+2ACN+2H"	84.067652
"1587422"	1068.480928	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+K+HCOOH"	84.968628
"1415395"	1098.512438	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+H+CF3COOH"	115.000138
"1147865"	554.303251	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+3ACN+2H"	125.094202
"1697421"	1115.538985	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+NH4+CF3COOH"	132.026685
"1637459"	1120.49438	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+Na+CF3COOH"	136.98208
"1585139"	1136.46832	"C16108"	"Adrenorphin"	"C44H69N15O9S"	"983.5123"	"M+K+CF3COOH"	152.95602
"812255"	255.1583	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M"	0
"986883"	236.13991	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-H2O-H"	-19.01839
"69657"	169.098257333333	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M-3H"	-3.021828
"509218"	254.151024	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M-3H"	-3.021828
"890300"	84.0454906666667	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-3H"	-3.021828
"13978"	254.151024	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M-2H"	-2.014552
"449528"	381.730174	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M-2H"	-2.014552
"828790"	126.571874	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-2H"	-2.014552
"92550"	509.309324	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M-H"	-1.007276
"527978"	764.467624	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M-H"	-1.007276
"908940"	254.151024	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-H"	-1.007276
"61131"	526.335871	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M-2H+NH4"	16.019271
"500934"	781.494171	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M-2H+NH4"	16.019271
"879822"	271.177571	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-2H+NH4"	16.019271
"44206"	531.291266	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M-2H+Na"	20.974666
"483887"	786.449566	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M-2H+Na"	20.974666
"863392"	276.132966	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-2H+Na"	20.974666
"1633657"	276.132966	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Na-2H"	20.974666
"108968"	272.139363	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M-H+Cl"	33.962126
"539660"	399.718513	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M-H+Cl"	33.962126
"932082"	144.560213	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-H+Cl"	33.962126
"271734"	545.286002	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+Cl"	34.969402
"668532"	800.444302	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+Cl"	34.969402
"1284216"	290.127702	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Cl"	34.969402
"29932"	547.265206	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M-2H+K"	36.948606
"464145"	802.423506	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M-2H+K"	36.948606
"843042"	292.106906	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-2H+K"	36.948606
"1567622"	292.106906	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+K-2H"	36.948606
"958179"	300.156494	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-H+HCOOH"	44.998194
"375910"	555.314801	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+HCOOH-H"	44.998201
"354324"	569.330451	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+Hac-H"	59.013851
"1502066"	314.172151	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Hac-H"	59.013851
"968512"	322.138451	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-H+NaCOOH"	66.980151
"111225"	290.127702	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+2Cl"	69.938804
"551512"	417.706852	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+2Cl"	69.938804
"1023227"	162.548552	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2Cl"	69.938804
"1242446"	334.077185	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Br"	78.918885
"1306717"	336.133172	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Cl+HCOOH"	80.974872
"1327496"	358.115129	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Cl+NaCOOH"	102.956829
"921837"	368.143886	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M-H+CF3COOH"	112.985586
"1302557"	404.120564	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Cl+CF3COOH"	148.962264
"1376706"	220.145624	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H-2H2O"	-35.012676
"1383511"	238.1556	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H-H2O"	-17.0027
"285144"	511.323876	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+H"	1.007276
"676104"	766.482176	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+H"	1.007276
"1352088"	256.165576	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H"	1.007276
"126433"	256.165576	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+2H"	2.014552
"566727"	383.744726	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+2H"	2.014552
"1039167"	128.586426	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2H"	2.014552
"207070"	171.112809333333	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+3H"	3.021828
"659880"	256.165576	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+3H"	3.021828
"1174972"	86.0600426666667	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+3H"	3.021828
"434962"	528.350423	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+NH4"	18.033823
"790490"	783.508723	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+NH4"	18.033823
"1689011"	273.192123	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+NH4"	18.033823
"338382"	264.6788495	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+H+NH4"	19.041099
"736272"	392.2579995	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+H+NH4"	19.041099
"1490459"	137.0996995	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H+NH4"	19.041099
"405496"	533.305818	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+Na"	22.989218
"767584"	788.464118	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+Na"	22.989218
"1608026"	278.147518	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Na"	22.989218
"327541"	267.156547	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+H+Na"	23.996494
"719963"	394.735697	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+H+Na"	23.996494
"1473421"	139.577397	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H+Na"	23.996494
"1064112"	93.3873566666667	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2H+Na"	25.00377
"1265791"	288.191786	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+CH3OH+H"	33.033486
"383272"	549.279758	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+K"	38.963158
"743174"	804.438058	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+K"	38.963158
"1541946"	294.121458	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+K"	38.963158
"298871"	275.143517	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+H+K"	39.970434
"698100"	402.722667	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+H+K"	39.970434
"1454107"	147.564367	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H+K"	39.970434
"240522"	552.350426	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+ACN+H"	42.033826
"1217605"	297.192126	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+ACN+H"	42.033826
"1201488"	149.099701	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+ACN+2H"	43.041102
"196545"	555.28776	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+2Na-H"	44.97116
"633553"	810.44606	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+2Na-H"	44.97116
"1131710"	300.12946	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2Na-H"	44.97116
"173536"	278.147518	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+2Na"	45.978436
"613263"	405.726668	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+2Na"	45.978436
"1116487"	150.568368	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2Na"	45.978436
"1400746"	100.714670666667	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H+2Na"	46.985712
"1433960"	302.171046	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H+HCOOH"	47.012746
"232405"	283.18054	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+3H2O+2H"	56.04448
"1520836"	316.22309	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+IsoProp+H"	61.06479
"415788"	286.134488	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+Na+K"	61.952376
"774593"	413.713638	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+Na+K"	61.952376
"1670924"	158.555338	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Na+K"	61.952376
"253434"	574.332368	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+ACN+Na"	64.015768
"1230152"	319.174068	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+ACN+Na"	64.015768
"1715758"	319.197593	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+NH4+HCOOH"	64.039293
"1182938"	108.041984666667	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+3Na"	68.967654
"1653925"	324.152988	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Na+HCOOH"	68.994688
"158965"	587.23564	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+2K-H"	76.91904
"603267"	842.39394	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+2K-H"	76.91904
"1093247"	332.07734	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2K-H"	76.91904
"149336"	294.121458	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"2M+2K"	77.926316
"588896"	421.700608	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"3M+2K"	77.926316
"1076324"	166.542308	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2K"	77.926316
"1103700"	334.091892	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2K+H"	78.933592
"1343003"	334.179507	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+DMSO+H"	79.021207
"1014450"	338.218676	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2ACN+H"	83.060376
"1535856"	339.212308	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+IsoProp+Na+H"	84.054008
"1001211"	169.612976	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+2ACN+2H"	84.067652
"1601910"	340.126928	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+K+HCOOH"	84.968628
"1417726"	370.158438	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+H+CF3COOH"	115.000138
"1156767"	190.126251	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+3ACN+2H"	125.094202
"1712602"	387.184985	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+NH4+CF3COOH"	132.026685
"1646346"	392.14038	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+Na+CF3COOH"	136.98208
"1575437"	408.11432	"C16138"	"L-Pyrrolysine;Pyrrolysine"	"C12H21N3O3"	"255.1583"	"M+K+CF3COOH"	152.95602
"815283"	204.1878	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M"	0
"985899"	185.16941	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75235"	135.117924	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"509328"	203.180524	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"889317"	67.055324	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"12266"	203.180524	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"451826"	305.274424	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"832348"	101.086624	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"90713"	407.368324	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533560"	611.556124	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909910"	203.180524	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62094"	424.394871	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"500682"	628.582671	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878361"	220.207071	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44437"	429.350266	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485781"	633.538066	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"851595"	225.162466	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1624773"	225.162466	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"100215"	221.168863	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538679"	323.262763	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930008"	119.074963	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268201"	443.345002	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670829"	647.532802	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1282139"	239.157202	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30044"	445.324206	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"469359"	649.512006	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847409"	241.136406	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1565546"	241.136406	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956709"	249.185994	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371644"	453.373801	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"352248"	467.389451	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1505091"	263.201651	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965344"	271.167951	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"111094"	239.157202	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"552348"	341.251102	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1021881"	137.063302	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1244380"	283.106685	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318745"	285.162672	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331984"	307.144629	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"923042"	317.173386	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1298656"	353.150064	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376821"	169.175124	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1392131"	187.1851	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"286348"	409.382876	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676577"	613.570676	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1352080"	205.195076	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H"	1.007276
"126908"	205.195076	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571944"	307.288976	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1052212"	103.101176	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218856"	137.132476	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659430"	205.195076	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1175082"	69.069876	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433980"	426.409423	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"793883"	630.597223	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692401"	222.221623	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"336306"	213.7083495	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"736018"	315.8022495	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1491298"	111.6144495	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"406337"	431.364818	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"761132"	635.552618	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1615430"	227.177018	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Na"	22.989218
"327288"	216.186047	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"719347"	318.279947	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1474262"	114.092147	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1064222"	76.39719	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1270279"	237.221286	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"382289"	447.338758	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+K"	38.963158
"748752"	651.526558	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1545337"	243.150958	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+K"	38.963158
"298986"	224.173017	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"698212"	326.266917	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1450938"	122.079117	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"240995"	450.409426	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1216622"	246.221626	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1194239"	123.614451	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"188948"	453.34676	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"629276"	657.53456	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1132429"	249.15896	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173532"	227.177018	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"613047"	329.270918	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1117332"	125.083118	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1401223"	83.724504	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1441729"	251.200546	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"231425"	232.21004	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1518395"	265.25259	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"416992"	235.163988	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"773972"	337.257888	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669940"	133.070088	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"254637"	472.391368	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1229170"	268.203568	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1717328"	268.227093	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1180494"	91.051818	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652213"	273.182488	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"157980"	485.29464	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603741"	689.48244	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1085579"	281.10684	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"150540"	243.150958	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"591193"	345.244858	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1077528"	141.057058	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110739"	283.121392	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345664"	283.209007	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017476"	287.248176	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1532318"	288.241808	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"993299"	144.127726	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1594366"	289.156428	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424407"	319.187938	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1152507"	164.641001	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1699869"	336.214485	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1639895"	341.16988	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575548"	357.14382	"C16141"	"()-Germacrene A;()-(R)-Germacrene A"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"815757"	204.1878	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M"	0
"979448"	185.16941	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"74252"	135.117924	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"509438"	203.180524	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"887240"	67.055324	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"10189"	203.180524	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"445375"	305.274424	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"823177"	101.086624	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"85356"	407.368324	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"529292"	611.556124	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909645"	203.180524	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61835"	424.394871	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499938"	628.582671	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873363"	220.207071	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44546"	429.350266	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"483014"	633.538066	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861548"	225.162466	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1623791"	225.162466	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99230"	221.168863	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"535873"	323.262763	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931211"	119.074963	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"276330"	443.345002	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"673125"	647.532802	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1286622"	239.157202	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30521"	445.324206	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"470565"	649.512006	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"846546"	241.136406	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1565655"	241.136406	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"955361"	249.185994	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375034"	453.373801	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356732"	467.389451	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1503381"	263.201651	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965454"	271.167951	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"114363"	239.157202	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"551003"	341.251102	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1027097"	137.063302	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251051"	283.106685	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318974"	285.162672	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1333553"	307.144629	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"922059"	317.173386	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1298765"	353.150064	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1373650"	169.175124	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1385678"	187.1851	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"283213"	409.382876	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676443"	613.570676	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1352304"	205.195076	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H"	1.007276
"127015"	205.195076	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571325"	307.288976	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1051793"	103.101176	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218965"	137.132476	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659910"	205.195076	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1174098"	69.069876	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+3H"	3.021828
"434090"	426.409423	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"793993"	630.597223	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692511"	222.221623	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"338602"	213.7083495	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737585"	315.8022495	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492459"	111.6144495	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"408069"	431.364818	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"764522"	635.552618	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1617360"	227.177018	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Na"	22.989218
"328854"	216.186047	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"720183"	318.279947	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1472181"	114.092147	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1063968"	76.39719	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1271481"	237.221286	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"387866"	447.338758	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+K"	38.963158
"749956"	651.526558	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1545448"	243.150958	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+K"	38.963158
"302622"	224.173017	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"695405"	326.266917	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1454327"	122.079117	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"242929"	450.409426	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1220013"	246.221626	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195020"	123.614451	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"188896"	453.34676	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"628740"	657.53456	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1131370"	249.15896	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173055"	227.177018	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"612982"	329.270918	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1117442"	125.083118	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1402425"	83.724504	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1441839"	251.200546	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"235023"	232.21004	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1523124"	265.25259	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"418193"	235.163988	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"778096"	337.257888	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1672237"	133.070088	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"255840"	472.391368	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230374"	268.203568	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719261"	268.227093	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1182789"	91.051818	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1660345"	273.182488	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"164653"	485.29464	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"607495"	689.48244	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1094194"	281.10684	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"152108"	243.150958	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"593126"	345.244858	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1082742"	141.057058	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1114131"	283.121392	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1350397"	283.209007	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017950"	287.248176	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1537169"	288.241808	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1002157"	144.127726	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1594476"	289.156428	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424517"	319.187938	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1149337"	164.641001	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1697793"	336.214485	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638913"	341.16988	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575658"	357.14382	"C16142"	"(-)-Germacrene D"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"814410"	222.1984	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M"	0
"982838"	203.18001	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"75457"	147.124990666667	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"516109"	221.191124	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"887350"	73.0588573333333	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"9206"	221.191124	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"452046"	332.290324	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"824380"	110.091924	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"86559"	443.389524	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"532440"	665.587924	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"908296"	221.191124	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"62310"	460.416071	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"501020"	682.614471	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"871287"	238.217671	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"44535"	465.371466	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"484096"	687.569866	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"854368"	243.173066	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1622808"	243.173066	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"99340"	239.179463	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"535616"	350.278663	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"931320"	128.080263	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"270973"	479.366202	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"669955"	701.564602	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1283452"	257.167802	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"29291"	481.345406	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"469944"	703.543806	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"845563"	259.147006	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1565765"	259.147006	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"953648"	267.196594	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"369677"	489.395001	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"356842"	503.410651	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1505677"	281.212251	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"965564"	289.178551	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"114473"	257.167802	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"552207"	368.267002	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1027207"	146.068602	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1252254"	301.117285	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1318356"	303.173272	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1332570"	325.155229	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"922169"	335.183986	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1296689"	371.160664	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1373031"	187.185724	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1384695"	205.1957	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"283040"	445.404076	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"676796"	667.602476	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1353143"	223.205676	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"127126"	223.205676	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"573257"	334.304876	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1048988"	112.106476	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"219930"	149.139542666667	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"659366"	223.205676	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1173844"	75.0734093333333	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"434200"	462.430623	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"794102"	684.629023	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1691893"	240.232223	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"340899"	231.7189495	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"737209"	342.8181495	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1484955"	120.6197495	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"404728"	467.386018	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"764632"	689.584418	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1618118"	245.187618	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"329655"	234.196647	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"722486"	345.295847	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1473384"	123.097447	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1067725"	82.4007233333333	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1272752"	255.231886	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"389799"	483.359958	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"751160"	705.558358	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1549932"	261.161558	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"302732"	242.183617	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"696244"	353.282817	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1453344"	131.084417	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"241946"	486.430626	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1219029"	264.232226	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1194398"	132.619751	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"188673"	489.36796	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"628604"	711.56636	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1131551"	267.16956	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"173307"	245.187618	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"613019"	356.286818	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1116457"	134.088418	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1403266"	89.7280373333333	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1441949"	269.211146	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"235050"	250.22064	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1522261"	283.26319	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"417211"	253.174588	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"781485"	364.273788	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1672348"	142.075388	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"258868"	508.412568	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1231579"	286.214168	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1718279"	286.237693	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1184725"	97.0553513333333	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1659361"	291.193088	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"161482"	521.31584	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"605418"	743.51424	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1091024"	299.11744	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"151124"	261.161558	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"594331"	372.260758	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1080299"	150.062358	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1113146"	301.131992	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1350259"	301.219607	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1019881"	305.258776	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1538007"	306.252408	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"997894"	153.133026	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1594586"	307.167028	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1421347"	337.198538	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1147624"	173.646301	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1697903"	354.225085	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1639023"	359.18048	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1575768"	375.15442	"C16143"	"(1E4S5E7R)-Germacra-1(10)5-dien-11-ol;Germacradienol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"814884"	408.3756	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M"	0
"982949"	389.35721	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-H2O-H"	-19.01839
"75567"	271.243124	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M-3H"	-3.021828
"516219"	407.368324	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M-3H"	-3.021828
"890741"	135.117924	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-3H"	-3.021828
"11503"	407.368324	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M-2H"	-2.014552
"452157"	611.556124	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M-2H"	-2.014552
"826678"	203.180524	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-2H"	-2.014552
"88856"	815.743924	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M-H"	-1.007276
"533809"	1224.119524	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M-H"	-1.007276
"911086"	407.368324	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-H"	-1.007276
"62060"	832.770471	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M-2H+NH4"	16.019271
"501251"	1241.146071	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M-2H+NH4"	16.019271
"876501"	424.394871	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-2H+NH4"	16.019271
"45864"	837.725866	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M-2H+Na"	20.974666
"486033"	1246.101466	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M-2H+Na"	20.974666
"859945"	429.350266	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-2H+Na"	20.974666
"1625106"	429.350266	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Na-2H"	20.974666
"101640"	425.356663	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M-H+Cl"	33.962126
"539012"	629.544463	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M-H+Cl"	33.962126
"935809"	221.168863	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-H+Cl"	33.962126
"275459"	851.720602	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+Cl"	34.969402
"673346"	1260.096202	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+Cl"	34.969402
"1280283"	443.345002	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Cl"	34.969402
"26121"	853.699806	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M-2H+K"	36.948606
"468597"	1262.075406	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M-2H+K"	36.948606
"846766"	445.324206	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-2H+K"	36.948606
"1564782"	445.324206	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+K-2H"	36.948606
"952665"	453.373794	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-H+HCOOH"	44.998194
"374163"	861.749401	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+HCOOH-H"	44.998201
"351484"	875.765051	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+Hac-H"	59.013851
"1502503"	467.389451	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Hac-H"	59.013851
"970778"	475.355751	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-H+NaCOOH"	66.980151
"117861"	443.345002	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+2Cl"	69.938804
"558517"	647.532802	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+2Cl"	69.938804
"1032786"	239.157202	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2Cl"	69.938804
"1254554"	487.294485	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Br"	78.918885
"1317005"	489.350472	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Cl+HCOOH"	80.974872
"1334867"	511.332429	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Cl+NaCOOH"	102.956829
"925925"	521.361186	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M-H+CF3COOH"	112.985586
"1301178"	557.337864	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Cl+CF3COOH"	148.962264
"1373141"	373.362924	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H-2H2O"	-35.012676
"1391366"	391.3729	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H-H2O"	-17.0027
"293238"	817.758476	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+H"	1.007276
"679098"	1226.134076	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+H"	1.007276
"1352526"	409.382876	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H"	1.007276
"127604"	409.382876	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+2H"	2.014552
"573367"	613.570676	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+2H"	2.014552
"1049462"	205.195076	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2H"	2.014552
"218701"	273.257676	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+3H"	3.021828
"658991"	409.382876	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+3H"	3.021828
"1172861"	137.132476	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+3H"	3.021828
"436135"	834.785023	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+NH4"	18.033823
"798952"	1243.160623	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+NH4"	18.033823
"1693097"	426.409423	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+NH4"	18.033823
"344292"	417.8961495	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+H+NH4"	19.041099
"735618"	622.0839495	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+H+NH4"	19.041099
"1485065"	213.7083495	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H+NH4"	19.041099
"404838"	839.740418	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+Na"	22.989218
"764742"	1248.116018	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+Na"	22.989218
"1617093"	431.364818	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Na"	22.989218
"328956"	420.373847	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+H+Na"	23.996494
"722473"	624.561647	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+H+Na"	23.996494
"1476822"	216.186047	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H+Na"	23.996494
"1068378"	144.45979	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2H+Na"	25.00377
"1272270"	441.409086	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+CH3OH+H"	33.033486
"392805"	855.714358	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+K"	38.963158
"749083"	1264.089958	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+K"	38.963158
"1545670"	447.338758	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+K"	38.963158
"305031"	428.360817	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+H+K"	39.970434
"699639"	632.548617	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+H+K"	39.970434
"1447260"	224.173017	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H+K"	39.970434
"238775"	858.785026	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+ACN+H"	42.033826
"1221326"	450.409426	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+ACN+H"	42.033826
"1194306"	225.708351	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+ACN+2H"	43.041102
"188841"	861.72236	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+2Na-H"	44.97116
"628677"	1270.09796	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+2Na-H"	44.97116
"1132399"	453.34676	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2Na-H"	44.97116
"173171"	431.364818	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+2Na"	45.978436
"614156"	635.552618	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+2Na"	45.978436
"1123136"	227.177018	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2Na"	45.978436
"1406659"	151.787104	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H+2Na"	46.985712
"1443153"	455.388346	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H+HCOOH"	47.012746
"234552"	436.39784	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+3H2O+2H"	56.04448
"1519821"	469.44039	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+IsoProp+H"	61.06479
"417319"	439.351788	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+Na+K"	61.952376
"779407"	643.539588	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+Na+K"	61.952376
"1674279"	235.163988	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Na+K"	61.952376
"257157"	880.766968	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+ACN+Na"	64.015768
"1233878"	472.391368	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+ACN+Na"	64.015768
"1717659"	472.414893	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+NH4+HCOOH"	64.039293
"1182283"	159.114418	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+3Na"	68.967654
"1654731"	477.370288	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Na+HCOOH"	68.994688
"161594"	893.67024	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+2K-H"	76.91904
"598967"	1302.04584	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+2K-H"	76.91904
"1091133"	485.29464	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2K-H"	76.91904
"151963"	447.338758	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"2M+2K"	77.926316
"594805"	651.526558	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"3M+2K"	77.926316
"1082842"	243.150958	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2K"	77.926316
"1112889"	487.309192	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2K+H"	78.933592
"1349638"	487.396807	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+DMSO+H"	79.021207
"1019263"	491.435976	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2ACN+H"	83.060376
"1538121"	492.429608	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+IsoProp+Na+H"	84.054008
"1002379"	246.221626	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+2ACN+2H"	84.067652
"1597977"	493.344228	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+K+HCOOH"	84.968628
"1423644"	523.375738	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+H+CF3COOH"	115.000138
"1152837"	266.734901	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+3ACN+2H"	125.094202
"1701293"	540.402285	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+NH4+CF3COOH"	132.026685
"1639133"	545.35768	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+Na+CF3COOH"	136.98208
"1575878"	561.33162	"C16144"	"44-Diapophytoene;Dehydrosqualene;15-cis-44-Diapophytoene"	"C30H48"	"408.3756"	"M+K+CF3COOH"	152.95602
"812809"	402.3287	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M"	0
"983060"	383.31031	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-H2O-H"	-19.01839
"76770"	267.211857333333	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M-3H"	-3.021828
"513049"	401.321424	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M-3H"	-3.021828
"887571"	133.102290666667	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-3H"	-3.021828
"7240"	401.321424	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M-2H"	-2.014552
"448986"	602.485774	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M-2H"	-2.014552
"825696"	200.157074	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-2H"	-2.014552
"93799"	803.650124	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M-H"	-1.007276
"531687"	1205.978824	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M-H"	-1.007276
"908515"	401.321424	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-H"	-1.007276
"59613"	820.676671	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M-2H+NH4"	16.019271
"502509"	1223.005371	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M-2H+NH4"	16.019271
"878198"	418.347971	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-2H+NH4"	16.019271
"46587"	825.632066	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M-2H+Na"	20.974666
"486025"	1227.960766	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M-2H+Na"	20.974666
"860055"	423.303366	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-2H+Na"	20.974666
"1625217"	423.303366	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Na-2H"	20.974666
"102842"	419.309763	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M-H+Cl"	33.962126
"536935"	620.474113	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M-H+Cl"	33.962126
"929717"	218.145413	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-H+Cl"	33.962126
"271193"	839.626802	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+Cl"	34.969402
"672362"	1241.955502	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+Cl"	34.969402
"1280392"	437.298102	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Cl"	34.969402
"24042"	841.606006	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M-2H+K"	36.948606
"466883"	1243.934706	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M-2H+K"	36.948606
"839217"	439.277306	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-2H+K"	36.948606
"1562705"	439.277306	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+K-2H"	36.948606
"950588"	447.326894	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-H+HCOOH"	44.998194
"366617"	849.655601	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+HCOOH-H"	44.998201
"348314"	863.671251	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+Hac-H"	59.013851
"1496052"	461.342551	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Hac-H"	59.013851
"970160"	469.308851	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-H+NaCOOH"	66.980151
"114693"	437.298102	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+2Cl"	69.938804
"563005"	638.462452	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+2Cl"	69.938804
"1032899"	236.133752	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2Cl"	69.938804
"1251385"	481.247585	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Br"	78.918885
"1319628"	483.303572	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Cl+HCOOH"	80.974872
"1331331"	505.285529	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Cl+NaCOOH"	102.956829
"926036"	515.314286	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M-H+CF3COOH"	112.985586
"1301286"	551.290964	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Cl+CF3COOH"	148.962264
"1373980"	367.316024	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H-2H2O"	-35.012676
"1393663"	385.326	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H-H2O"	-17.0027
"290069"	805.664676	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+H"	1.007276
"681395"	1207.993376	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+H"	1.007276
"1352642"	403.335976	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H"	1.007276
"132823"	403.335976	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+2H"	2.014552
"572384"	604.500326	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+2H"	2.014552
"1050670"	202.171626	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2H"	2.014552
"218570"	269.226409333333	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+3H"	3.021828
"658132"	403.335976	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+3H"	3.021828
"1174796"	135.116842666667	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+3H"	3.021828
"435880"	822.691223	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+NH4"	18.033823
"796146"	1225.019923	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+NH4"	18.033823
"1689560"	420.362523	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+NH4"	18.033823
"336744"	411.8492495	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+H+NH4"	19.041099
"731353"	613.0135995	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+H+NH4"	19.041099
"1482989"	210.6848995	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H+NH4"	19.041099
"404950"	827.646618	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+Na"	22.989218
"756223"	1229.975318	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+Na"	22.989218
"1604323"	425.317918	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Na"	22.989218
"320800"	414.326947	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+H+Na"	23.996494
"717595"	615.491297	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+H+Na"	23.996494
"1475431"	213.162597	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H+Na"	23.996494
"1065029"	142.444156666667	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2H+Na"	25.00377
"1269259"	435.362186	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+CH3OH+H"	33.033486
"386739"	843.620558	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+K"	38.963158
"749921"	1245.949258	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+K"	38.963158
"1549056"	441.291858	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+K"	38.963158
"309511"	422.313917	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+H+K"	39.970434
"698651"	623.478267	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+H+K"	39.970434
"1452471"	221.149567	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H+K"	39.970434
"244353"	846.691226	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+ACN+H"	42.033826
"1221801"	444.362526	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+ACN+H"	42.033826
"1196205"	222.684901	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+ACN+2H"	43.041102
"189071"	849.62856	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+2Na-H"	44.97116
"630826"	1251.95726	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+2Na-H"	44.97116
"1139073"	447.29986	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2Na-H"	44.97116
"177622"	425.317918	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+2Na"	45.978436
"614266"	626.482268	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+2Na"	45.978436
"1123246"	224.153568	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2Na"	45.978436
"1406767"	149.771470666667	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H+2Na"	46.985712
"1442170"	449.341446	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H+HCOOH"	47.012746
"227490"	430.35094	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+3H2O+2H"	56.04448
"1520657"	463.39349	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+IsoProp+H"	61.06479
"418523"	433.304888	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+Na+K"	61.952376
"779518"	634.469238	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+Na+K"	61.952376
"1677669"	232.140538	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Na+K"	61.952376
"257264"	868.673168	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+ACN+Na"	64.015768
"1231068"	466.344468	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+ACN+Na"	64.015768
"1717403"	466.367993	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+NH4+HCOOH"	64.039293
"1182029"	157.098784666667	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+3Na"	68.967654
"1655934"	471.323388	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Na+HCOOH"	68.994688
"163891"	881.57644	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+2K-H"	76.91904
"602360"	1283.90514	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+2K-H"	76.91904
"1097811"	479.24774	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2K-H"	76.91904
"152437"	441.291858	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"2M+2K"	77.926316
"590903"	642.456208	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"3M+2K"	77.926316
"1075415"	240.127508	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2K"	77.926316
"1113727"	481.262292	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2K+H"	78.933592
"1347197"	481.349907	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+DMSO+H"	79.021207
"1017915"	485.389076	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2ACN+H"	83.060376
"1538353"	486.382708	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+IsoProp+Na+H"	84.054008
"1002492"	243.198176	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+2ACN+2H"	84.067652
"1601372"	487.297328	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+K+HCOOH"	84.968628
"1419379"	517.328838	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+H+CF3COOH"	115.000138
"1155134"	263.711451	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+3ACN+2H"	125.094202
"1698126"	534.355385	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+NH4+CF3COOH"	132.026685
"1638151"	539.31078	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+Na+CF3COOH"	136.98208
"1574893"	555.28472	"C16145"	"44-Diaponeurosporene"	"C30H42"	"402.3287"	"M+K+CF3COOH"	152.95602
"813648"	432.3028	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M"	0
"986818"	413.28441	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-H2O-H"	-19.01839
"76880"	287.194590666667	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M-3H"	-3.021828
"517535"	431.295524	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M-3H"	-3.021828
"895435"	143.093657333333	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-3H"	-3.021828
"10630"	431.295524	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M-2H"	-2.014552
"453106"	647.446924	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M-2H"	-2.014552
"829086"	215.144124	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-2H"	-2.014552
"93345"	863.598324	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M-H"	-1.007276
"533997"	1295.901124	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M-H"	-1.007276
"910574"	431.295524	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-H"	-1.007276
"57535"	880.624871	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M-2H+NH4"	16.019271
"502332"	1312.927671	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M-2H+NH4"	16.019271
"879522"	448.322071	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-2H+NH4"	16.019271
"45719"	885.580266	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M-2H+Na"	20.974666
"485645"	1317.883066	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M-2H+Na"	20.974666
"860166"	453.277466	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-2H+Na"	20.974666
"1625332"	453.277466	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Na-2H"	20.974666
"101861"	449.283863	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M-H+Cl"	33.962126
"540329"	665.435263	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M-H+Cl"	33.962126
"927523"	233.132463	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-H+Cl"	33.962126
"270213"	899.575002	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+Cl"	34.969402
"670288"	1331.877802	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+Cl"	34.969402
"1279412"	467.272202	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Cl"	34.969402
"23062"	901.554206	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M-2H+K"	36.948606
"466996"	1333.857006	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M-2H+K"	36.948606
"840423"	469.251406	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-2H+K"	36.948606
"1567192"	469.251406	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+K-2H"	36.948606
"952889"	477.300994	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-H+HCOOH"	44.998194
"373291"	909.603801	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+HCOOH-H"	44.998201
"359361"	923.619451	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+Hac-H"	59.013851
"1502726"	491.316651	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Hac-H"	59.013851
"965894"	499.282951	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-H+NaCOOH"	66.980151
"115896"	467.272202	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+2Cl"	69.938804
"562022"	683.423602	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+2Cl"	69.938804
"1031916"	251.120802	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2Cl"	69.938804
"1250402"	511.221685	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Br"	78.918885
"1317956"	513.277672	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Cl+HCOOH"	80.974872
"1333266"	535.259629	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Cl+NaCOOH"	102.956829
"924688"	545.288386	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M-H+CF3COOH"	112.985586
"1295929"	581.265064	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Cl+CF3COOH"	148.962264
"1377371"	397.290124	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H-2H2O"	-35.012676
"1393771"	415.3001	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H-H2O"	-17.0027
"295645"	865.612876	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+H"	1.007276
"678225"	1297.915676	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+H"	1.007276
"1351777"	433.310076	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H"	1.007276
"129653"	433.310076	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+2H"	2.014552
"573587"	649.461476	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+2H"	2.014552
"1051752"	217.158676	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2H"	2.014552
"219045"	289.209142666667	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+3H"	3.021828
"658846"	433.310076	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+3H"	3.021828
"1174537"	145.108209333333	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+3H"	3.021828
"437084"	882.639423	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+NH4"	18.033823
"796621"	1314.942223	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+NH4"	18.033823
"1694776"	450.336623	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+NH4"	18.033823
"339043"	441.8233495	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+H+NH4"	19.041099
"733652"	657.9747495	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+H+NH4"	19.041099
"1492101"	225.6719495	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H+NH4"	19.041099
"405426"	887.594818	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+Na"	22.989218
"768611"	1319.897618	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+Na"	22.989218
"1617442"	455.292018	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Na"	22.989218
"329301"	444.301047	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+H+Na"	23.996494
"720874"	660.452447	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+H+Na"	23.996494
"1476149"	228.149647	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H+Na"	23.996494
"1065505"	152.435523333333	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2H+Na"	25.00377
"1271925"	465.336286	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+CH3OH+H"	33.033486
"388308"	903.568758	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+K"	38.963158
"748209"	1335.871558	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+K"	38.963158
"1549167"	471.265958	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+K"	38.963158
"306341"	452.288017	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+H+K"	39.970434
"698761"	668.439417	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+H+K"	39.970434
"1455861"	236.136617	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H+K"	39.970434
"249569"	906.639426	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+ACN+H"	42.033826
"1221181"	474.336626	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+ACN+H"	42.033826
"1196315"	237.671951	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+ACN+2H"	43.041102
"199401"	909.57676	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+2Na-H"	44.97116
"642608"	1341.87956	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+2Na-H"	44.97116
"1140280"	477.27396	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2Na-H"	44.97116
"187586"	455.292018	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+2Na"	45.978436
"626053"	671.443418	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+2Na"	45.978436
"1130897"	239.140618	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2Na"	45.978436
"1411258"	159.762837333333	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H+2Na"	46.985712
"1442282"	479.315546	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H+HCOOH"	47.012746
"232710"	460.32504	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+3H2O+2H"	56.04448
"1516761"	493.36759	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+IsoProp+H"	61.06479
"415354"	463.278988	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+Na+K"	61.952376
"777440"	679.430388	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+Na+K"	61.952376
"1670493"	247.127588	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Na+K"	61.952376
"255922"	928.621368	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+ACN+Na"	64.015768
"1228266"	496.318568	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+ACN+Na"	64.015768
"1716786"	496.342093	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+NH4+HCOOH"	64.039293
"1182139"	167.090151333333	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+3Na"	68.967654
"1652760"	501.297488	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Na+HCOOH"	68.994688
"157802"	941.52464	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+2K-H"	76.91904
"604656"	1373.82744	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+2K-H"	76.91904
"1098287"	509.22184	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2K-H"	76.91904
"153641"	471.265958	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"2M+2K"	77.926316
"587734"	687.417358	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"3M+2K"	77.926316
"1078807"	255.114558	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2K"	77.926316
"1113719"	511.236392	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2K+H"	78.933592
"1344027"	511.324007	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+DMSO+H"	79.021207
"1018023"	515.363176	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2ACN+H"	83.060376
"1536152"	516.356808	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+IsoProp+Na+H"	84.054008
"1000416"	258.185226	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+2ACN+2H"	84.067652
"1600390"	517.271428	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+K+HCOOH"	84.968628
"1422768"	547.302938	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+H+CF3COOH"	115.000138
"1156337"	278.698501	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+3ACN+2H"	125.094202
"1705888"	564.329485	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+NH4+CF3COOH"	132.026685
"1648100"	569.28488	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+Na+CF3COOH"	136.98208
"1576099"	585.25882	"C16146"	"44-Diaponeurosporenic acid"	"C30H40O2"	"432.3028"	"M+K+CF3COOH"	152.95602
"814122"	594.3557	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M"	0
"983280"	575.33731	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-H2O-H"	-19.01839
"75896"	395.229857333333	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M-3H"	-3.021828
"516549"	593.348424	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M-3H"	-3.021828
"893259"	197.111290666667	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-3H"	-3.021828
"10740"	593.348424	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M-2H"	-2.014552
"452487"	890.526274	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M-2H"	-2.014552
"829196"	296.170574	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-2H"	-2.014552
"93703"	1187.704124	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M-H"	-1.007276
"534235"	1782.059824	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M-H"	-1.007276
"909346"	593.348424	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-H"	-1.007276
"57645"	1204.730671	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M-2H+NH4"	16.019271
"502679"	1799.086371	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M-2H+NH4"	16.019271
"879269"	610.374971	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-2H+NH4"	16.019271
"45465"	1209.686066	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M-2H+Na"	20.974666
"486727"	1804.041766	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M-2H+Na"	20.974666
"860276"	615.330366	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-2H+Na"	20.974666
"1626535"	615.330366	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Na-2H"	20.974666
"100878"	611.336763	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M-H+Cl"	33.962126
"540439"	908.514613	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M-H+Cl"	33.962126
"931766"	314.158913	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-H+Cl"	33.962126
"268499"	1223.680802	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+Cl"	34.969402
"663837"	1818.036502	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+Cl"	34.969402
"1283894"	629.325102	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Cl"	34.969402
"24263"	1225.660006	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M-2H+K"	36.948606
"467105"	1820.015706	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M-2H+K"	36.948606
"840533"	631.304306	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-2H+K"	36.948606
"1567302"	631.304306	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+K-2H"	36.948606
"955185"	639.353894	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-H+HCOOH"	44.998194
"374494"	1233.709601	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+HCOOH-H"	44.998201
"360323"	1247.725251	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+Hac-H"	59.013851
"1505023"	653.369551	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Hac-H"	59.013851
"966004"	661.335851	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-H+NaCOOH"	66.980151
"119286"	629.325102	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+2Cl"	69.938804
"563590"	926.502952	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+2Cl"	69.938804
"1034212"	332.147252	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2Cl"	69.938804
"1250512"	673.274585	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Br"	78.918885
"1316244"	675.330572	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Cl+HCOOH"	80.974872
"1331552"	697.312529	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Cl+NaCOOH"	102.956829
"924070"	707.341286	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M-H+CF3COOH"	112.985586
"1298225"	743.317964	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Cl+CF3COOH"	148.962264
"1374199"	559.343024	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H-2H2O"	-35.012676
"1392787"	577.353	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H-H2O"	-17.0027
"286641"	1189.718676	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+H"	1.007276
"678331"	1784.074376	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+H"	1.007276
"1352495"	595.362976	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H"	1.007276
"130856"	595.362976	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+2H"	2.014552
"569324"	892.540826	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+2H"	2.014552
"1051982"	298.185126	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2H"	2.014552
"215873"	397.244409333333	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+3H"	3.021828
"657621"	595.362976	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+3H"	3.021828
"1173554"	199.125842666667	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+3H"	3.021828
"436829"	1206.745223	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+NH4"	18.033823
"795637"	1801.100923	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+NH4"	18.033823
"1693429"	612.389523	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+NH4"	18.033823
"338060"	603.8762495	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+H+NH4"	19.041099
"732669"	901.0540995	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+H+NH4"	19.041099
"1492657"	306.6983995	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H+NH4"	19.041099
"406264"	1211.700618	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+Na"	22.989218
"768720"	1806.056318	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+Na"	22.989218
"1617915"	617.344918	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Na"	22.989218
"328316"	606.353947	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+H+Na"	23.996494
"721590"	903.531797	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+H+Na"	23.996494
"1472733"	309.176097	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H+Na"	23.996494
"1065979"	206.453156666667	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2H+Na"	25.00377
"1272275"	627.389186	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+CH3OH+H"	33.033486
"389147"	1227.674558	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+K"	38.963158
"750506"	1822.030258	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+K"	38.963158
"1552193"	633.318858	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+K"	38.963158
"311190"	614.340917	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+H+K"	39.970434
"698872"	911.518767	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+H+K"	39.970434
"1455972"	317.163067	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H+K"	39.970434
"249314"	1230.745226	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+ACN+H"	42.033826
"1220198"	636.389526	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+ACN+H"	42.033826
"1194286"	318.698401	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+ACN+2H"	43.041102
"199511"	1233.68256	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+2Na-H"	44.97116
"640165"	1828.03826	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+2Na-H"	44.97116
"1142578"	639.32686	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2Na-H"	44.97116
"187571"	617.344918	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+2Na"	45.978436
"627255"	914.522768	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+2Na"	45.978436
"1130641"	320.167068	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2Na"	45.978436
"1412949"	213.780470666667	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H+2Na"	46.985712
"1443122"	641.368446	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H+HCOOH"	47.012746
"234035"	622.37794	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+3H2O+2H"	56.04448
"1520151"	655.42049	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+IsoProp+H"	61.06479
"414370"	625.331888	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+Na+K"	61.952376
"777550"	922.509738	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+Na+K"	61.952376
"1672791"	328.154038	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Na+K"	61.952376
"254571"	1252.727168	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+ACN+Na"	64.015768
"1232022"	658.371468	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+ACN+Na"	64.015768
"1719814"	658.394993	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+NH4+HCOOH"	64.039293
"1186262"	221.107784666667	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+3Na"	68.967654
"1652873"	663.350388	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Na+HCOOH"	68.994688
"164112"	1265.63044	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+2K-H"	76.91904
"604766"	1859.98614	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+2K-H"	76.91904
"1099124"	671.27474	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2K-H"	76.91904
"152659"	633.318858	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"2M+2K"	77.926316
"590032"	930.496708	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"3M+2K"	77.926316
"1077824"	336.141008	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2K"	77.926316
"1112127"	673.289292	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2K+H"	78.933592
"1344137"	673.376907	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+DMSO+H"	79.021207
"1011573"	677.416076	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2ACN+H"	83.060376
"1534075"	678.409708	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+IsoProp+Na+H"	84.054008
"1004539"	339.211676	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+2ACN+2H"	84.067652
"1598313"	679.324328	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+K+HCOOH"	84.968628
"1419597"	709.355838	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+H+CF3COOH"	115.000138
"1156447"	359.724951	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+3ACN+2H"	125.094202
"1703811"	726.382385	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+NH4+CF3COOH"	132.026685
"1644930"	731.33778	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+Na+CF3COOH"	136.98208
"1576209"	747.31172	"C16147"	"Glycosyl-44-diaponeurosporenoate"	"C36H50O7"	"594.3557"	"M+K+CF3COOH"	152.95602
"814233"	818.5697	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M"	0
"983390"	799.55131	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-H2O-H"	-19.01839
"74913"	544.705857333333	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M-3H"	-3.021828
"513379"	817.562424	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M-3H"	-3.021828
"893005"	271.849290666667	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-3H"	-3.021828
"11943"	817.562424	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M-2H"	-2.014552
"452597"	1226.847274	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M-2H"	-2.014552
"830399"	408.277574	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-2H"	-2.014552
"93797"	1636.132124	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M-H"	-1.007276
"534134"	2454.701824	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M-H"	-1.007276
"909821"	817.562424	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-H"	-1.007276
"56662"	1653.158671	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M-2H+NH4"	16.019271
"502553"	2471.728371	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M-2H+NH4"	16.019271
"879495"	834.588971	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-2H+NH4"	16.019271
"46302"	1658.114066	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M-2H+Na"	20.974666
"486228"	2476.683766	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M-2H+Na"	20.974666
"858197"	839.544366	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-2H+Na"	20.974666
"1625552"	839.544366	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Na-2H"	20.974666
"102081"	835.550763	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M-H+Cl"	33.962126
"541642"	1244.835613	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M-H+Cl"	33.962126
"932969"	426.265913	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-H+Cl"	33.962126
"269337"	1672.108802	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+Cl"	34.969402
"662244"	2490.678502	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+Cl"	34.969402
"1279631"	853.539102	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Cl"	34.969402
"21093"	1674.088006	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M-2H+K"	36.948606
"467215"	2492.657706	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M-2H+K"	36.948606
"842829"	855.518306	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-2H+K"	36.948606
"1567412"	855.518306	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+K-2H"	36.948606
"954202"	863.567894	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-H+HCOOH"	44.998194
"372418"	1682.137601	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+HCOOH-H"	44.998201
"360191"	1696.153251	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+Hac-H"	59.013851
"1506226"	877.583551	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Hac-H"	59.013851
"966114"	885.549851	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-H+NaCOOH"	66.980151
"121583"	853.539102	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+2Cl"	69.938804
"564428"	1262.823952	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+2Cl"	69.938804
"1034322"	444.254252	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2Cl"	69.938804
"1254995"	897.488585	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Br"	78.918885
"1317083"	899.544572	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Cl+HCOOH"	80.974872
"1330935"	921.526529	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Cl+NaCOOH"	102.956829
"924180"	931.555286	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M-H+CF3COOH"	112.985586
"1298335"	967.531964	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Cl+CF3COOH"	148.962264
"1375403"	783.557024	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H-2H2O"	-35.012676
"1393990"	801.567	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H-H2O"	-17.0027
"287117"	1638.146676	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+H"	1.007276
"678804"	2456.716376	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+H"	1.007276
"1352607"	819.576976	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H"	1.007276
"135342"	819.576976	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+2H"	2.014552
"566515"	1228.861826	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+2H"	2.014552
"1048082"	410.292126	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2H"	2.014552
"217077"	546.720409333333	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+3H"	3.021828
"652262"	819.576976	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+3H"	3.021828
"1173666"	273.863842666667	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+3H"	3.021828
"434753"	1655.173223	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+NH4"	18.033823
"792467"	2473.742923	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+NH4"	18.033823
"1692079"	836.603523	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+NH4"	18.033823
"337077"	828.0902495	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+H+NH4"	19.041099
"731686"	1237.3750995	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+H+NH4"	19.041099
"1490611"	418.8053995	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H+NH4"	19.041099
"405281"	1660.128618	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+Na"	22.989218
"767371"	2478.698318	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+Na"	22.989218
"1618330"	841.558918	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Na"	22.989218
"329725"	830.567947	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+H+Na"	23.996494
"722430"	1239.852797	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+H+Na"	23.996494
"1477011"	421.283097	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H+Na"	23.996494
"1065723"	281.191156666667	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2H+Na"	25.00377
"1269589"	851.603186	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+CH3OH+H"	33.033486
"387068"	1676.102558	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+K"	38.963158
"752439"	2494.672258	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+K"	38.963158
"1555305"	857.532858	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+K"	38.963158
"307654"	838.554917	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+H+K"	39.970434
"700075"	1247.839767	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+H+K"	39.970434
"1453895"	429.270067	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H+K"	39.970434
"248694"	1679.173226	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+ACN+H"	42.033826
"1219579"	860.603526	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+ACN+H"	42.033826
"1195315"	430.805401	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+ACN+2H"	43.041102
"199621"	1682.11056	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+2Na-H"	44.97116
"641004"	2500.68026	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+2Na-H"	44.97116
"1143781"	863.54086	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2Na-H"	44.97116
"188277"	841.558918	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+2Na"	45.978436
"628305"	1250.843768	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+2Na"	45.978436
"1131257"	432.274068	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2Na"	45.978436
"1414033"	288.518470666667	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H+2Na"	46.985712
"1443233"	865.582446	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H+HCOOH"	47.012746
"234632"	846.59194	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+3H2O+2H"	56.04448
"1521354"	879.63449	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+IsoProp+H"	61.06479
"418853"	849.545888	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+Na+K"	61.952376
"779847"	1258.830738	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+Na+K"	61.952376
"1677274"	440.261038	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Na+K"	61.952376
"256139"	1701.155168	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+ACN+Na"	64.015768
"1232132"	882.585468	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+ACN+Na"	64.015768
"1719924"	882.608993	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+NH4+HCOOH"	64.039293
"1186372"	295.845784666667	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+3Na"	68.967654
"1656262"	887.564388	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Na+HCOOH"	68.994688
"165315"	1714.05844	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+2K-H"	76.91904
"605969"	2532.62814	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+2K-H"	76.91904
"1094859"	895.48874	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2K-H"	76.91904
"153863"	857.532858	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"2M+2K"	77.926316
"592329"	1266.817708	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"3M+2K"	77.926316
"1077934"	448.248008	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2K"	77.926316
"1112237"	897.503292	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2K+H"	78.933592
"1345341"	897.590907	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+DMSO+H"	79.021207
"1013870"	901.630076	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2ACN+H"	83.060376
"1539167"	902.623708	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+IsoProp+Na+H"	84.054008
"1005137"	451.318676	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+2ACN+2H"	84.067652
"1598423"	903.538328	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+K+HCOOH"	84.968628
"1419707"	933.569838	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+H+CF3COOH"	115.000138
"1156556"	471.831951	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+3ACN+2H"	125.094202
"1700641"	950.596385	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+NH4+CF3COOH"	132.026685
"1645040"	955.55178	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+Na+CF3COOH"	136.98208
"1576319"	971.52572	"C16148"	"Staphyloxanthin"	"C51H78O8"	"818.5697"	"M+K+CF3COOH"	152.95602
"814708"	220.0372	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M"	0
"988972"	201.01881	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-H2O-H"	-19.01839
"76117"	145.684190666667	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M-3H"	-3.021828
"517866"	219.029924	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M-3H"	-3.021828
"895265"	72.3384573333333	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-3H"	-3.021828
"14609"	219.029924	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M-2H"	-2.014552
"455644"	329.048524	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M-2H"	-2.014552
"831971"	109.011324	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-2H"	-2.014552
"94214"	439.067124	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M-H"	-1.007276
"534077"	659.104324	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M-H"	-1.007276
"909689"	219.029924	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-H"	-1.007276
"60904"	456.093671	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M-2H+NH4"	16.019271
"502293"	676.130871	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M-2H+NH4"	16.019271
"879693"	236.056471	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-2H+NH4"	16.019271
"46050"	461.049066	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M-2H+Na"	20.974666
"486340"	681.086266	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M-2H+Na"	20.974666
"857214"	241.011866	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-2H+Na"	20.974666
"1626752"	241.011866	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na-2H"	20.974666
"101098"	237.018263	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M-H+Cl"	33.962126
"547220"	347.036863	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M-H+Cl"	33.962126
"938547"	126.999663	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-H+Cl"	33.962126
"273824"	475.043802	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+Cl"	34.969402
"668432"	695.081002	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+Cl"	34.969402
"1277555"	255.006602	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Cl"	34.969402
"24483"	477.023006	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M-2H+K"	36.948606
"464047"	697.060206	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M-2H+K"	36.948606
"842939"	256.985806	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-2H+K"	36.948606
"1567524"	256.985806	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+K-2H"	36.948606
"949937"	265.035394	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-H+HCOOH"	44.998194
"371434"	485.072601	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+HCOOH-H"	44.998201
"358600"	499.088251	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+Hac-H"	59.013851
"1505972"	279.051051	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Hac-H"	59.013851
"969508"	287.017351	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-H+NaCOOH"	66.980151
"118413"	255.006602	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2Cl"	69.938804
"563445"	365.025202	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2Cl"	69.938804
"1036620"	144.988002	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2Cl"	69.938804
"1256201"	298.956085	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Br"	78.918885
"1313183"	301.012072	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Cl+HCOOH"	80.974872
"1330316"	322.994029	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Cl+NaCOOH"	102.956829
"919550"	333.022786	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M-H+CF3COOH"	112.985586
"1300634"	368.999464	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Cl+CF3COOH"	148.962264
"1371137"	185.024524	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H-2H2O"	-35.012676
"1390820"	203.0345	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H-H2O"	-17.0027
"285769"	441.081676	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+H"	1.007276
"677094"	661.118876	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+H"	1.007276
"1363658"	221.044476	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H"	1.007276
"135452"	221.044476	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2H"	2.014552
"568448"	331.063076	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2H"	2.014552
"1047827"	111.025876	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2H"	2.014552
"217916"	147.698742666667	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+3H"	3.021828
"652373"	221.044476	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+3H"	3.021828
"1173414"	74.3530093333333	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+3H"	3.021828
"431582"	458.108223	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+NH4"	18.033823
"795859"	678.145423	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+NH4"	18.033823
"1693284"	238.071023	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+NH4"	18.033823
"340104"	229.5577495	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+H+NH4"	19.041099
"732889"	339.5763495	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+H+NH4"	19.041099
"1489992"	119.5391495	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+NH4"	19.041099
"407578"	463.063618	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+Na"	22.989218
"768578"	683.100818	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+Na"	22.989218
"1618139"	243.026418	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na"	22.989218
"329635"	232.035447	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+H+Na"	23.996494
"722502"	342.054047	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+H+Na"	23.996494
"1476235"	122.016847	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+Na"	23.996494
"1066199"	81.6803233333333	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2H+Na"	25.00377
"1270428"	253.070686	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+CH3OH+H"	33.033486
"390461"	479.037558	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+K"	38.963158
"751822"	699.074758	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+K"	38.963158
"1554602"	259.000358	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+K"	38.963158
"310683"	240.022417	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+H+K"	39.970434
"698000"	350.041017	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+H+K"	39.970434
"1454005"	130.003817	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+K"	39.970434
"243699"	482.108226	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+ACN+H"	42.033826
"1221148"	262.071026	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+ACN+H"	42.033826
"1202478"	131.539151	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+ACN+2H"	43.041102
"203746"	485.04556	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2Na-H"	44.97116
"640021"	705.08276	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2Na-H"	44.97116
"1140609"	265.00836	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2Na-H"	44.97116
"188036"	243.026418	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2Na"	45.978436
"628508"	353.045018	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2Na"	45.978436
"1130982"	133.007818	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2Na"	45.978436
"1410495"	89.0076373333333	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+2Na"	46.985712
"1442980"	267.049946	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+HCOOH"	47.012746
"233040"	248.05944	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+3H2O+2H"	56.04448
"1518184"	281.10199	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+IsoProp+H"	61.06479
"417870"	251.013388	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+Na+K"	61.952376
"777771"	361.031988	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+Na+K"	61.952376
"1678477"	140.994788	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na+K"	61.952376
"255156"	504.090168	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+ACN+Na"	64.015768
"1232242"	284.052968	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+ACN+Na"	64.015768
"1721128"	284.076493	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+NH4+HCOOH"	64.039293
"1185389"	96.3349513333333	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+3Na"	68.967654
"1653456"	289.031888	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na+HCOOH"	68.994688
"169801"	516.99344	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2K-H"	76.91904
"604986"	737.03064	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2K-H"	76.91904
"1099350"	296.95624	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2K-H"	76.91904
"155066"	259.000358	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"2M+2K"	77.926316
"596208"	369.018958	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"3M+2K"	77.926316
"1079139"	148.981758	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2K"	77.926316
"1107972"	298.970792	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2K+H"	78.933592
"1343264"	299.058407	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+DMSO+H"	79.021207
"1013980"	303.097576	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2ACN+H"	83.060376
"1537454"	304.091208	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+IsoProp+Na+H"	84.054008
"1005004"	152.052426	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+2ACN+2H"	84.067652
"1600721"	305.005828	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+K+HCOOH"	84.968628
"1419818"	335.037338	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+H+CF3COOH"	115.000138
"1153386"	172.565701	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+3ACN+2H"	125.094202
"1709499"	352.063885	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+NH4+CF3COOH"	132.026685
"1641869"	357.01928	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+Na+CF3COOH"	136.98208
"1576429"	372.99322	"C16149"	"(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate;cis-2-Carboxybenzalpyruvate"	"C11H8O5"	"220.0372"	"M+K+CF3COOH"	152.95602
"812268"	162.1157	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M"	0
"986531"	143.09731	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-H2O-H"	-19.01839
"77084"	107.069857333333	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M-3H"	-3.021828
"514697"	161.108424	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M-3H"	-3.021828
"892501"	53.0312906666667	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-3H"	-3.021828
"13992"	161.108424	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M-2H"	-2.014552
"449541"	242.166274	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M-2H"	-2.014552
"824063"	80.050574	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-2H"	-2.014552
"92803"	323.224124	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M-H"	-1.007276
"532607"	485.339824	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M-H"	-1.007276
"910411"	161.108424	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-H"	-1.007276
"59075"	340.250671	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M-2H+NH4"	16.019271
"500821"	502.366371	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M-2H+NH4"	16.019271
"878625"	178.134971	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-2H+NH4"	16.019271
"41057"	345.206066	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M-2H+Na"	20.974666
"480617"	507.321766	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M-2H+Na"	20.974666
"859516"	183.090366	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-2H+Na"	20.974666
"1624676"	183.090366	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Na-2H"	20.974666
"109522"	179.096763	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M-H+Cl"	33.962126
"549317"	260.154613	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M-H+Cl"	33.962126
"938659"	98.038913	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-H+Cl"	33.962126
"277215"	359.200802	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+Cl"	34.969402
"667449"	521.316502	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+Cl"	34.969402
"1282040"	197.085102	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Cl"	34.969402
"26784"	361.180006	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M-2H+K"	36.948606
"465249"	523.295706	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M-2H+K"	36.948606
"845240"	199.064306	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-2H+K"	36.948606
"1568726"	199.064306	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+K-2H"	36.948606
"955154"	207.113894	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-H+HCOOH"	44.998194
"372277"	369.229601	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+HCOOH-H"	44.998201
"358345"	383.245251	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+Hac-H"	59.013851
"1500979"	221.129551	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Hac-H"	59.013851
"965245"	229.095851	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-H+NaCOOH"	66.980151
"119619"	197.085102	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+2Cl"	69.938804
"563198"	278.142952	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+2Cl"	69.938804
"1033455"	116.027252	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2Cl"	69.938804
"1250847"	241.034585	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Br"	78.918885
"1311108"	243.090572	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Cl+HCOOH"	80.974872
"1325322"	265.072529	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Cl+NaCOOH"	102.956829
"914921"	275.101286	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M-H+CF3COOH"	112.985586
"1296368"	311.077964	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Cl+CF3COOH"	148.962264
"1372342"	127.103024	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H-2H2O"	-35.012676
"1384734"	145.113	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H-H2O"	-17.0027
"286973"	325.238676	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+H"	1.007276
"678299"	487.354376	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+H"	1.007276
"1363768"	163.122976	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H"	1.007276
"135561"	163.122976	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+2H"	2.014552
"568558"	244.180826	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+2H"	2.014552
"1050855"	82.065126	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2H"	2.014552
"215107"	109.084409333333	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+3H"	3.021828
"656490"	163.122976	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+3H"	3.021828
"1167327"	55.0458426666667	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+3H"	3.021828
"428411"	342.265223	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+NH4"	18.033823
"793780"	504.380923	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+NH4"	18.033823
"1690112"	180.149523	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+NH4"	18.033823
"337297"	171.6362495	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+H+NH4"	19.041099
"733000"	252.6940995	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+H+NH4"	19.041099
"1491565"	90.5783995	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H+NH4"	19.041099
"407570"	347.220618	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+Na"	22.989218
"768569"	509.336318	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+Na"	22.989218
"1616668"	185.104918	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Na"	22.989218
"326826"	174.113947	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+H+Na"	23.996494
"718155"	255.171797	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+H+Na"	23.996494
"1474159"	93.056097	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H+Na"	23.996494
"1064123"	62.3731566666667	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2H+Na"	25.00377
"1266893"	195.149186	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+CH3OH+H"	33.033486
"388750"	363.194558	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+K"	38.963158
"749745"	525.310258	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+K"	38.963158
"1547422"	201.078858	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+K"	38.963158
"304597"	182.100917	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+H+K"	39.970434
"701390"	263.158767	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+H+K"	39.970434
"1457760"	101.043067	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H+K"	39.970434
"248549"	366.265226	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+ACN+H"	42.033826
"1219798"	204.149526	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+ACN+H"	42.033826
"1209639"	102.578401	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+ACN+2H"	43.041102
"195830"	369.20256	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+2Na-H"	44.97116
"643662"	531.31826	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+2Na-H"	44.97116
"1143637"	207.08686	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2Na-H"	44.97116
"184739"	185.104918	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+2Na"	45.978436
"627587"	266.162768	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+2Na"	45.978436
"1128905"	104.047068	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2Na"	45.978436
"1408055"	69.7004706666667	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H+2Na"	46.985712
"1440539"	209.128446	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H+HCOOH"	47.012746
"234974"	190.13794	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+3H2O+2H"	56.04448
"1521214"	223.18049	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+IsoProp+H"	61.06479
"420171"	193.091888	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+Na+K"	61.952376
"777880"	274.149738	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+Na+K"	61.952376
"1675308"	112.034038	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Na+K"	61.952376
"255266"	388.247168	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+ACN+Na"	64.015768
"1235998"	226.131468	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+ACN+Na"	64.015768
"1721238"	226.154993	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+NH4+HCOOH"	64.039293
"1186588"	77.0277846666667	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+3Na"	68.967654
"1655388"	231.110388	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Na+HCOOH"	68.994688
"169911"	401.15044	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+2K-H"	76.91904
"610566"	563.26614	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+2K-H"	76.91904
"1099702"	239.03474	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2K-H"	76.91904
"157124"	201.078858	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"2M+2K"	77.926316
"596440"	282.136708	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"3M+2K"	77.926316
"1082409"	120.021008	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2K"	77.926316
"1112338"	241.049292	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2K+H"	78.933592
"1347750"	241.136907	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+DMSO+H"	79.021207
"1014092"	245.176076	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2ACN+H"	83.060376
"1531122"	246.169708	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+IsoProp+Na+H"	84.054008
"1000858"	123.091676	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+2ACN+2H"	84.067652
"1598641"	247.084328	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+K+HCOOH"	84.968628
"1416650"	277.115838	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+H+CF3COOH"	115.000138
"1153500"	143.604951	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+3ACN+2H"	125.094202
"1700863"	294.142385	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+NH4+CF3COOH"	132.026685
"1645262"	299.09778	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+Na+CF3COOH"	136.98208
"1576539"	315.07172	"C16150"	"(RS)-Nicotine;(-)-3-(1-Methyl-2-pyrrolidinyl)pyridine"	"C10H14N2"	"162.1157"	"M+K+CF3COOH"	152.95602
"816019"	192.0899	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M"	0
"988832"	173.07151	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-H2O-H"	-19.01839
"76346"	127.052657333333	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M-3H"	-3.021828
"516999"	191.082624	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M-3H"	-3.021828
"892249"	63.0226906666667	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-3H"	-3.021828
"14228"	191.082624	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M-2H"	-2.014552
"452934"	287.127574	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M-2H"	-2.014552
"831224"	95.037674	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-2H"	-2.014552
"91456"	383.172524	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M-H"	-1.007276
"534048"	575.262424	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M-H"	-1.007276
"911240"	191.082624	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-H"	-1.007276
"60768"	400.199071	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M-2H+NH4"	16.019271
"501180"	592.288971	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M-2H+NH4"	16.019271
"877037"	208.109171	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-2H+NH4"	16.019271
"35701"	405.154466	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M-2H+Na"	20.974666
"478542"	597.244366	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M-2H+Na"	20.974666
"856347"	213.064566	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-2H+Na"	20.974666
"1624786"	213.064566	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Na-2H"	20.974666
"106786"	209.070963	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M-H+Cl"	33.962126
"548781"	305.115913	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M-H+Cl"	33.962126
"940596"	113.026013	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-H+Cl"	33.962126
"281336"	419.149202	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+Cl"	34.969402
"667559"	611.239102	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+Cl"	34.969402
"1281056"	227.059302	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Cl"	34.969402
"24707"	421.128406	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M-2H+K"	36.948606
"465359"	613.218306	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M-2H+K"	36.948606
"844989"	229.038506	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-2H+K"	36.948606
"1568475"	229.038506	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+K-2H"	36.948606
"953806"	237.088094	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-H+HCOOH"	44.998194
"374938"	429.178001	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+HCOOH-H"	44.998201
"360280"	443.193651	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+Hac-H"	59.013851
"1502183"	251.103751	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Hac-H"	59.013851
"965356"	259.070051	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-H+NaCOOH"	66.980151
"118637"	227.059302	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+2Cl"	69.938804
"563675"	323.104252	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+2Cl"	69.938804
"1034658"	131.014352	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2Cl"	69.938804
"1252050"	271.008785	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Br"	78.918885
"1311219"	273.064772	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Cl+HCOOH"	80.974872
"1325434"	295.046729	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Cl+NaCOOH"	102.956829
"921594"	305.075486	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M-H+CF3COOH"	112.985586
"1297574"	341.052164	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Cl+CF3COOH"	148.962264
"1373548"	157.077224	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H-2H2O"	-35.012676
"1392138"	175.0872	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H-H2O"	-17.0027
"292917"	385.187076	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+H"	1.007276
"683152"	577.276976	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+H"	1.007276
"1365338"	193.097176	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H"	1.007276
"136764"	193.097176	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+2H"	2.014552
"567574"	289.142126	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+2H"	2.014552
"1050236"	97.052226	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2H"	2.014552
"214126"	129.067209333333	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+3H"	3.021828
"650406"	193.097176	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+3H"	3.021828
"1173273"	65.0372426666667	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+3H"	3.021828
"428524"	402.213623	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+NH4"	18.033823
"796080"	594.303523	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+NH4"	18.033823
"1693506"	210.123723	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+NH4"	18.033823
"339596"	201.6104495	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+H+NH4"	19.041099
"736760"	297.6553995	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+H+NH4"	19.041099
"1492165"	105.5654995	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H+NH4"	19.041099
"407686"	407.169018	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+Na"	22.989218
"769414"	599.258918	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+Na"	22.989218
"1616900"	215.079118	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Na"	22.989218
"328761"	204.088147	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+H+Na"	23.996494
"720210"	300.133097	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+H+Na"	23.996494
"1475365"	108.043197	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H+Na"	23.996494
"1065329"	72.3645566666667	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2H+Na"	25.00377
"1271869"	225.123386	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+CH3OH+H"	33.033486
"391047"	423.142958	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+K"	38.963158
"753384"	615.232858	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+K"	38.963158
"1550449"	231.053058	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+K"	38.963158
"310905"	212.075117	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+H+K"	39.970434
"701500"	308.120067	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+H+K"	39.970434
"1455319"	116.030167	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H+K"	39.970434
"248659"	426.213626	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+ACN+H"	42.033826
"1214441"	234.123726	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+ACN+H"	42.033826
"1207803"	117.565501	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+ACN+2H"	43.041102
"197763"	429.15096	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+2Na-H"	44.97116
"640605"	621.24086	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+2Na-H"	44.97116
"1144112"	237.06106	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2Na-H"	44.97116
"183756"	215.079118	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+2Na"	45.978436
"625874"	311.124068	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+2Na"	45.978436
"1129744"	119.034168	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2Na"	45.978436
"1408165"	79.6918706666667	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H+2Na"	46.985712
"1441742"	239.102646	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H+HCOOH"	47.012746
"234359"	220.11214	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+3H2O+2H"	56.04448
"1523596"	253.15469	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+IsoProp+H"	61.06479
"421375"	223.066088	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+Na+K"	61.952376
"780179"	319.111038	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+Na+K"	61.952376
"1676878"	127.021138	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Na+K"	61.952376
"256833"	448.195568	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+ACN+Na"	64.015768
"1235015"	256.105668	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+ACN+Na"	64.015768
"1720984"	256.129193	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+NH4+HCOOH"	64.039293
"1185242"	87.0191846666667	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+3Na"	68.967654
"1655135"	261.084588	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Na+HCOOH"	68.994688
"164914"	461.09884	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+2K-H"	76.91904
"612502"	653.18874	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+2K-H"	76.91904
"1099450"	269.00894	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2K-H"	76.91904
"156513"	231.053058	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"2M+2K"	77.926316
"595699"	327.098008	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"3M+2K"	77.926316
"1083370"	135.008108	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2K"	77.926316
"1108194"	271.023492	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2K+H"	78.933592
"1349926"	271.111107	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+DMSO+H"	79.021207
"1012015"	275.150276	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2ACN+H"	83.060376
"1531232"	276.143908	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+IsoProp+Na+H"	84.054008
"1005389"	138.078776	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+2ACN+2H"	84.067652
"1602039"	277.058528	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+K+HCOOH"	84.968628
"1427697"	307.090038	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+H+CF3COOH"	115.000138
"1161630"	158.592051	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+3ACN+2H"	125.094202
"1707535"	324.116585	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+NH4+CF3COOH"	132.026685
"1645376"	329.07198	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+Na+CF3COOH"	136.98208
"1576649"	345.04592	"C16151"	"26-Dihydroxy-N-methylmyosmine"	"C10H12N2O2"	"192.0899"	"M+K+CF3COOH"	152.95602
"815764"	250.0226	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M"	0
"988574"	231.00421	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-H2O-H"	-19.01839
"74268"	165.674457333333	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M-3H"	-3.021828
"516009"	249.015324	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M-3H"	-3.021828
"892716"	82.3335906666667	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-3H"	-3.021828
"15066"	249.015324	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M-2H"	-2.014552
"454263"	374.026624	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M-2H"	-2.014552
"832229"	124.004024	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-2H"	-2.014552
"92663"	499.037924	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M-H"	-1.007276
"532960"	749.060524	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M-H"	-1.007276
"910634"	249.015324	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-H"	-1.007276
"60999"	516.064471	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M-2H+NH4"	16.019271
"500318"	766.087071	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M-2H+NH4"	16.019271
"875566"	266.041871	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-2H+NH4"	16.019271
"42374"	521.019866	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M-2H+Na"	20.974666
"480840"	771.042466	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M-2H+Na"	20.974666
"855364"	270.997266	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-2H+Na"	20.974666
"1624897"	270.997266	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Na-2H"	20.974666
"107628"	267.003663	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M-H+Cl"	33.962126
"545365"	392.014963	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M-H+Cl"	33.962126
"939976"	141.992363	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-H+Cl"	33.962126
"279624"	535.014602	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+Cl"	34.969402
"672776"	785.037202	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+Cl"	34.969402
"1284449"	284.992002	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Cl"	34.969402
"28827"	536.993806	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M-2H+K"	36.948606
"468749"	787.016406	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M-2H+K"	36.948606
"844369"	286.971206	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-2H+K"	36.948606
"1569316"	286.971206	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+K-2H"	36.948606
"957198"	295.020794	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-H+HCOOH"	44.998194
"375053"	545.043401	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+HCOOH-H"	44.998201
"360509"	559.059051	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+Hac-H"	59.013851
"1504479"	309.036451	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Hac-H"	59.013851
"973445"	317.002751	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-H+NaCOOH"	66.980151
"119839"	284.992002	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+2Cl"	69.938804
"559411"	410.003302	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+2Cl"	69.938804
"1030396"	159.980702	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2Cl"	69.938804
"1251067"	328.941485	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Br"	78.918885
"1308412"	330.997472	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Cl+HCOOH"	80.974872
"1324452"	352.979429	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Cl+NaCOOH"	102.956829
"915508"	363.008186	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M-H+CF3COOH"	112.985586
"1298777"	398.984864	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Cl+CF3COOH"	148.962264
"1373658"	215.009924	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H-2H2O"	-35.012676
"1392248"	233.0199	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H-H2O"	-17.0027
"288654"	501.052476	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+H"	1.007276
"683262"	751.075076	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+H"	1.007276
"1361437"	251.029876	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H"	1.007276
"131407"	251.029876	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+2H"	2.014552
"569143"	376.041176	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+2H"	2.014552
"1052169"	126.018576	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2H"	2.014552
"213873"	167.689009333333	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+3H"	3.021828
"652703"	251.029876	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+3H"	3.021828
"1173383"	84.3481426666667	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+3H"	3.021828
"429728"	518.079023	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+NH4"	18.033823
"794003"	768.101623	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+NH4"	18.033823
"1691429"	268.056423	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+NH4"	18.033823
"339705"	259.5431495	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+H+NH4"	19.041099
"736505"	384.5544495	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+H+NH4"	19.041099
"1489231"	134.5318495	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H+NH4"	19.041099
"403536"	523.034418	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+Na"	22.989218
"768911"	773.057018	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+Na"	22.989218
"1612637"	273.011818	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Na"	22.989218
"323767"	262.020847	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+H+Na"	23.996494
"719468"	387.032147	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+H+Na"	23.996494
"1475471"	137.009547	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H+Na"	23.996494
"1067501"	91.6754566666667	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2H+Na"	25.00377
"1269301"	283.056086	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+CH3OH+H"	33.033486
"391764"	539.008358	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+K"	38.963158
"753486"	789.030958	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+K"	38.963158
"1549829"	288.985758	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+K"	38.963158
"309190"	270.007817	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+H+K"	39.970434
"699423"	395.019117	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+H+K"	39.970434
"1454335"	144.996517	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H+K"	39.970434
"247310"	542.079026	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+ACN+H"	42.033826
"1214551"	292.056426	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+ACN+H"	42.033826
"1196609"	146.531851	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+ACN+2H"	43.041102
"197873"	545.01636	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+2Na-H"	44.97116
"641808"	795.03896	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+2Na-H"	44.97116
"1145804"	294.99376	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2Na-H"	44.97116
"184959"	273.011818	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+2Na"	45.978436
"625983"	398.023118	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+2Na"	45.978436
"1127296"	148.000518	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2Na"	45.978436
"1411557"	99.0027706666667	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H+2Na"	46.985712
"1444406"	297.035346	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H+HCOOH"	47.012746
"234471"	278.04484	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+3H2O+2H"	56.04448
"1523622"	311.08739	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+IsoProp+H"	61.06479
"423309"	280.998788	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+Na+K"	61.952376
"784548"	406.010088	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+Na+K"	61.952376
"1679541"	155.987488	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Na+K"	61.952376
"265697"	564.060968	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+ACN+Na"	64.015768
"1235854"	314.038368	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+ACN+Na"	64.015768
"1722917"	314.061893	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+NH4+HCOOH"	64.039293
"1192643"	106.330084666667	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+3Na"	68.967654
"1660713"	319.017288	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Na+HCOOH"	68.994688
"166847"	576.96424	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+2K-H"	76.91904
"603128"	826.98684	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+2K-H"	76.91904
"1096390"	326.94164	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2K-H"	76.91904
"148832"	288.985758	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"2M+2K"	77.926316
"587299"	413.997058	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"3M+2K"	77.926316
"1071811"	163.974458	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2K"	77.926316
"1101252"	328.956192	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2K+H"	78.933592
"1338122"	329.043807	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+DMSO+H"	79.021207
"1007137"	333.082976	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2ACN+H"	83.060376
"1526113"	334.076608	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+IsoProp+Na+H"	84.054008
"1005094"	167.045126	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+2ACN+2H"	84.067652
"1602627"	334.991228	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+K+HCOOH"	84.968628
"1426714"	365.022738	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+H+CF3COOH"	115.000138
"1161376"	187.558401	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+3ACN+2H"	125.094202
"1707645"	382.049285	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+NH4+CF3COOH"	132.026685
"1648035"	387.00468	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+Na+CF3COOH"	136.98208
"1580039"	402.97862	"C16152"	"Blue pigment;Nicotine blue;(E)-2255-Tetrahydroxy-6H6H-33-bipyridinylidene-66-dione"	"C10H6N2O6"	"250.0226"	"M+K+CF3COOH"	152.95602
"815874"	535.0604	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M"	0
"988684"	516.04201	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-H2O-H"	-19.01839
"77655"	355.699657333333	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M-3H"	-3.021828
"516117"	534.053124	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M-3H"	-3.021828
"887358"	177.346190666667	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-3H"	-3.021828
"14687"	534.053124	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M-2H"	-2.014552
"453157"	801.583324	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M-2H"	-2.014552
"832579"	266.522924	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-2H"	-2.014552
"93015"	1069.113524	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M-H"	-1.007276
"534083"	1604.173924	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M-H"	-1.007276
"910498"	534.053124	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-H"	-1.007276
"60500"	1086.140071	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M-2H+NH4"	16.019271
"501034"	1621.200471	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M-2H+NH4"	16.019271
"874584"	551.079671	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-2H+NH4"	16.019271
"41391"	1091.095466	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M-2H+Na"	20.974666
"483136"	1626.155866	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M-2H+Na"	20.974666
"854381"	556.035066	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-2H+Na"	20.974666
"1628289"	556.035066	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Na-2H"	20.974666
"105915"	552.041463	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M-H+Cl"	33.962126
"543288"	819.571663	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M-H+Cl"	33.962126
"938991"	284.511263	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-H+Cl"	33.962126
"280464"	1105.090202	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+Cl"	34.969402
"673250"	1640.150602	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+Cl"	34.969402
"1286017"	570.029802	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Cl"	34.969402
"29666"	1107.069406	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M-2H+K"	36.948606
"469953"	1642.129806	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M-2H+K"	36.948606
"846301"	572.009006	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-2H+K"	36.948606
"1570152"	572.009006	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+K-2H"	36.948606
"956943"	580.058594	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-H+HCOOH"	44.998194
"375526"	1115.119001	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+HCOOH-H"	44.998201
"360862"	1129.134651	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+Hac-H"	59.013851
"1504589"	594.074251	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Hac-H"	59.013851
"973838"	602.040551	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-H+NaCOOH"	66.980151
"121038"	570.029802	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+2Cl"	69.938804
"552945"	837.560002	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+2Cl"	69.938804
"1029414"	302.499602	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2Cl"	69.938804
"1250085"	613.979285	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Br"	78.918885
"1310346"	616.035272	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Cl+HCOOH"	80.974872
"1330395"	638.017229	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Cl+NaCOOH"	102.956829
"917807"	648.045986	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M-H+CF3COOH"	112.985586
"1296336"	684.022664	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Cl+CF3COOH"	148.962264
"1375956"	500.047724	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H-2H2O"	-35.012676
"1393819"	518.0577	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H-H2O"	-17.0027
"290952"	1071.128076	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+H"	1.007276
"684831"	1606.188476	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+H"	1.007276
"1363735"	536.067676	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H"	1.007276
"134433"	536.067676	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+2H"	2.014552
"569617"	803.597876	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+2H"	2.014552
"1052284"	268.537476	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2H"	2.014552
"219332"	357.714209333333	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+3H"	3.021828
"653545"	536.067676	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+3H"	3.021828
"1173493"	179.360742666667	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+3H"	3.021828
"430932"	1088.154623	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+NH4"	18.033823
"794114"	1623.215023	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+NH4"	18.033823
"1692636"	553.094223	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+NH4"	18.033823
"337630"	544.5809495	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+H+NH4"	19.041099
"736979"	812.1111495	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+H+NH4"	19.041099
"1489341"	277.0507495	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H+NH4"	19.041099
"408022"	1093.110018	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+Na"	22.989218
"769019"	1628.170418	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+Na"	22.989218
"1613838"	558.049618	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Na"	22.989218
"323877"	547.058647	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+H+Na"	23.996494
"719578"	814.588847	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+H+Na"	23.996494
"1474490"	279.528447	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H+Na"	23.996494
"1066638"	186.688056666667	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2H+Na"	25.00377
"1270872"	568.093886	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+CH3OH+H"	33.033486
"390174"	1109.083958	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+K"	38.963158
"753961"	1644.144358	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+K"	38.963158
"1553219"	574.023558	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+K"	38.963158
"308206"	555.045617	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+H+K"	39.970434
"699533"	822.575817	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+H+K"	39.970434
"1452258"	287.515417	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H+K"	39.970434
"247420"	1112.154626	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+ACN+H"	42.033826
"1215754"	577.094226	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+ACN+H"	42.033826
"1198543"	289.050751	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+ACN+2H"	43.041102
"199805"	1115.09196	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+2Na-H"	44.97116
"639366"	1650.15236	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+2Na-H"	44.97116
"1145915"	580.03156	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2Na-H"	44.97116
"181058"	558.049618	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+2Na"	45.978436
"626093"	825.579818	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+2Na"	45.978436
"1126313"	290.519418	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2Na"	45.978436
"1412755"	194.015370666667	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H+2Na"	46.985712
"1444515"	582.073146	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H+HCOOH"	47.012746
"233487"	563.08264	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+3H2O+2H"	56.04448
"1522641"	596.12519	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+IsoProp+H"	61.06479
"422326"	566.036588	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+Na+K"	61.952376
"782586"	833.566788	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+Na+K"	61.952376
"1678194"	298.506388	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Na+K"	61.952376
"264710"	1134.136568	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+ACN+Na"	64.015768
"1238148"	599.076168	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+ACN+Na"	64.015768
"1724485"	599.099693	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+NH4+HCOOH"	64.039293
"1192387"	201.342684666667	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+3Na"	68.967654
"1657906"	604.055088	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Na+HCOOH"	68.994688
"164768"	1147.03984	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+2K-H"	76.91904
"602145"	1682.10024	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+2K-H"	76.91904
"1095407"	611.97944	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2K-H"	76.91904
"148942"	574.023558	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"2M+2K"	77.926316
"585222"	841.553758	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"3M+2K"	77.926316
"1071921"	306.493358	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2K"	77.926316
"1101119"	613.993992	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2K+H"	78.933592
"1339326"	614.081607	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+DMSO+H"	79.021207
"1007004"	618.120776	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2ACN+H"	83.060376
"1526224"	619.114408	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+IsoProp+Na+H"	84.054008
"1005449"	309.564026	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+2ACN+2H"	84.067652
"1602142"	620.029028	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+K+HCOOH"	84.968628
"1426460"	650.060538	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+H+CF3COOH"	115.000138
"1161486"	330.077301	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+3ACN+2H"	125.094202
"1707755"	667.087085	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+NH4+CF3COOH"	132.026685
"1648873"	672.04248	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+Na+CF3COOH"	136.98208
"1580149"	688.01642	"C16153"	"UDP-L-Ara4N;UDP-4-amino-4-deoxy-L-arabinose;UDP-4-amino-4-deoxy-beta-L-arabinopyranose"	"C14H23N3O15P2"	"535.0604"	"M+K+CF3COOH"	152.95602
"815863"	563.0554	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M"	0
"987333"	544.03701	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-H2O-H"	-19.01839
"77161"	374.362990666667	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M-3H"	-3.021828
"517321"	562.048124	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M-3H"	-3.021828
"890748"	186.677857333333	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-3H"	-3.021828
"14438"	562.048124	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M-2H"	-2.014552
"453633"	843.575824	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M-2H"	-2.014552
"832162"	280.520424	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-2H"	-2.014552
"92152"	1125.103524	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M-H"	-1.007276
"534187"	1688.158924	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M-H"	-1.007276
"910979"	562.048124	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-H"	-1.007276
"62555"	1142.130071	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M-2H+NH4"	16.019271
"501635"	1705.185471	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M-2H+NH4"	16.019271
"877975"	579.074671	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-2H+NH4"	16.019271
"41502"	1147.085466	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M-2H+Na"	20.974666
"482154"	1710.140866	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M-2H+Na"	20.974666
"855586"	584.030066	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-2H+Na"	20.974666
"1627307"	584.030066	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Na-2H"	20.974666
"107118"	580.036463	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M-H+Cl"	33.962126
"547770"	861.564163	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M-H+Cl"	33.962126
"939101"	298.508763	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-H+Cl"	33.962126
"279116"	1161.080202	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+Cl"	34.969402
"671903"	1724.135602	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+Cl"	34.969402
"1285398"	598.024802	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Cl"	34.969402
"27224"	1163.059406	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M-2H+K"	36.948606
"471038"	1726.114806	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M-2H+K"	36.948606
"845683"	600.004006	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-2H+K"	36.948606
"1569170"	600.004006	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+K-2H"	36.948606
"957662"	608.053594	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-H+HCOOH"	44.998194
"373084"	1171.109001	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+HCOOH-H"	44.998201
"360243"	1185.124651	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+Hac-H"	59.013851
"1504699"	622.069251	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Hac-H"	59.013851
"973581"	630.035551	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-H+NaCOOH"	66.980151
"122242"	598.024802	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+2Cl"	69.938804
"553054"	879.552502	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+2Cl"	69.938804
"1031710"	316.497102	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2Cl"	69.938804
"1250195"	641.974285	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Br"	78.918885
"1310457"	644.030272	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Cl+HCOOH"	80.974872
"1325766"	666.012229	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Cl+NaCOOH"	102.956829
"916824"	676.040986	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M-H+CF3COOH"	112.985586
"1297904"	712.017664	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Cl+CF3COOH"	148.962264
"1374973"	528.042724	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H-2H2O"	-35.012676
"1394657"	546.0527	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H-H2O"	-17.0027
"289969"	1127.118076	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+H"	1.007276
"684576"	1690.173476	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+H"	1.007276
"1364574"	564.062676	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H"	1.007276
"134543"	564.062676	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+2H"	2.014552
"568997"	845.590376	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+2H"	2.014552
"1050568"	282.534976	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2H"	2.014552
"212270"	376.377542666667	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+3H"	3.021828
"649643"	564.062676	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+3H"	3.021828
"1169957"	188.692409333333	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+3H"	3.021828
"429949"	1144.144623	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+NH4"	18.033823
"793130"	1707.200023	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+NH4"	18.033823
"1690556"	581.089223	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+NH4"	18.033823
"339925"	572.5759495	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+H+NH4"	19.041099
"732349"	854.1036495	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+H+NH4"	19.041099
"1489451"	291.0482495	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H+NH4"	19.041099
"404850"	1149.100018	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+Na"	22.989218
"768035"	1712.155418	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+Na"	22.989218
"1613948"	586.044618	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Na"	22.989218
"325080"	575.053647	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+H+Na"	23.996494
"720779"	856.581347	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+H+Na"	23.996494
"1473143"	293.525947	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H+Na"	23.996494
"1066748"	196.019723333333	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2H+Na"	25.00377
"1272523"	596.088886	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+CH3OH+H"	33.033486
"390650"	1165.073958	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+K"	38.963158
"753099"	1728.129358	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+K"	38.963158
"1552968"	602.018558	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+K"	38.963158
"310504"	583.040617	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+H+K"	39.970434
"699644"	864.568317	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+H+K"	39.970434
"1451275"	301.512917	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H+K"	39.970434
"238781"	1168.144626	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+ACN+H"	42.033826
"1214770"	605.089226	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+ACN+H"	42.033826
"1198652"	303.048251	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+ACN+2H"	43.041102
"198093"	1171.08196	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+2Na-H"	44.97116
"634374"	1734.13736	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+2Na-H"	44.97116
"1145660"	608.02656	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2Na-H"	44.97116
"181168"	586.044618	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+2Na"	45.978436
"626207"	867.572318	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+2Na"	45.978436
"1126791"	304.516918	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2Na"	45.978436
"1406669"	203.347037333333	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H+2Na"	46.985712
"1438786"	610.068146	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H+HCOOH"	47.012746
"234326"	591.07764	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+3H2O+2H"	56.04448
"1521654"	624.12019	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+IsoProp+H"	61.06479
"421341"	594.031588	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+Na+K"	61.952376
"782332"	875.559288	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+Na+K"	61.952376
"1677939"	312.503888	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Na+K"	61.952376
"264823"	1190.126568	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+ACN+Na"	64.015768
"1238626"	627.071168	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+ACN+Na"	64.015768
"1726781"	627.094693	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+NH4+HCOOH"	64.039293
"1192133"	210.674351333333	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+3Na"	68.967654
"1662025"	632.050088	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Na+HCOOH"	68.994688
"167065"	1203.02984	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+2K-H"	76.91904
"602255"	1766.08524	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+2K-H"	76.91904
"1096610"	639.97444	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2K-H"	76.91904
"152332"	602.018558	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"2M+2K"	77.926316
"587519"	883.546258	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"3M+2K"	77.926316
"1073124"	320.490858	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2K"	77.926316
"1104145"	641.988992	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2K+H"	78.933592
"1339436"	642.076607	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+DMSO+H"	79.021207
"1007965"	646.115776	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2ACN+H"	83.060376
"1528278"	647.109408	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+IsoProp+Na+H"	84.054008
"1005316"	323.561526	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+2ACN+2H"	84.067652
"1602490"	648.024028	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+K+HCOOH"	84.968628
"1426934"	678.055538	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+H+CF3COOH"	115.000138
"1157221"	344.074801	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+3ACN+2H"	125.094202
"1710052"	695.082085	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+NH4+CF3COOH"	132.026685
"1646798"	700.03748	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+Na+CF3COOH"	136.98208
"1580259"	716.01142	"C16154"	"UDP-L-Ara4FN;Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose);UDP-4-deoxy-4-formamido-beta-L-arabinopyranose"	"C15H23N3O16P2"	"563.0554"	"M+K+CF3COOH"	152.95602
"816785"	534.0288	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M"	0
"986350"	515.01041	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-H2O-H"	-19.01839
"77752"	355.011924	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M-3H"	-3.021828
"515244"	533.021524	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M-3H"	-3.021828
"889765"	177.002324	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-3H"	-3.021828
"14546"	533.021524	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M-2H"	-2.014552
"453378"	800.035924	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M-2H"	-2.014552
"830814"	266.007124	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-2H"	-2.014552
"93114"	1067.050324	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M-H"	-1.007276
"533566"	1601.079124	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M-H"	-1.007276
"910234"	533.021524	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-H"	-1.007276
"61450"	1084.076871	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M-2H+NH4"	16.019271
"499922"	1618.105671	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M-2H+NH4"	16.019271
"877722"	550.048071	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-2H+NH4"	16.019271
"43437"	1089.032266	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M-2H+Na"	20.974666
"482264"	1623.061066	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M-2H+Na"	20.974666
"857878"	555.003466	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-2H+Na"	20.974666
"1628511"	555.003466	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Na-2H"	20.974666
"107231"	551.009863	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M-H+Cl"	33.962126
"546788"	818.024263	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M-H+Cl"	33.962126
"941034"	283.995463	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-H+Cl"	33.962126
"279957"	1103.027002	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+Cl"	34.969402
"673470"	1637.055802	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+Cl"	34.969402
"1286601"	568.998202	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Cl"	34.969402
"29886"	1105.006206	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M-2H+K"	36.948606
"470904"	1639.035006	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M-2H+K"	36.948606
"847939"	570.977406	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-2H+K"	36.948606
"1570578"	570.977406	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+K-2H"	36.948606
"958356"	579.026994	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-H+HCOOH"	44.998194
"373194"	1113.055801	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+HCOOH-H"	44.998201
"361167"	1127.071451	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+Hac-H"	59.013851
"1501529"	593.042651	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Hac-H"	59.013851
"974116"	601.008951	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-H+NaCOOH"	66.980151
"121258"	568.998202	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+2Cl"	69.938804
"551341"	836.012602	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+2Cl"	69.938804
"1033997"	301.983802	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2Cl"	69.938804
"1250304"	612.947685	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Br"	78.918885
"1309838"	615.003672	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Cl+HCOOH"	80.974872
"1326970"	636.985629	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Cl+NaCOOH"	102.956829
"915840"	647.014386	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M-H+CF3COOH"	112.985586
"1298016"	682.991064	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Cl+CF3COOH"	148.962264
"1376176"	499.016124	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H-2H2O"	-35.012676
"1391487"	517.0261	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H-H2O"	-17.0027
"293727"	1069.064876	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+H"	1.007276
"685054"	1603.093676	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+H"	1.007276
"1362497"	535.036076	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H"	1.007276
"132830"	535.036076	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+2H"	2.014552
"568378"	802.050476	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+2H"	2.014552
"1050679"	268.021676	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2H"	2.014552
"215298"	357.026476	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+3H"	3.021828
"653034"	535.036076	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+3H"	3.021828
"1171160"	179.016876	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+3H"	3.021828
"433339"	1086.091423	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+NH4"	18.033823
"796156"	1620.120223	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+NH4"	18.033823
"1690666"	552.062623	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+NH4"	18.033823
"338942"	543.5493495	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+H+NH4"	19.041099
"731367"	810.5637495	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+H+NH4"	19.041099
"1489563"	276.5349495	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H+NH4"	19.041099
"406785"	1091.046818	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+Na"	22.989218
"766689"	1625.075618	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+Na"	22.989218
"1611872"	557.018018	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Na"	22.989218
"323731"	546.027047	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+H+Na"	23.996494
"718702"	813.041447	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+H+Na"	23.996494
"1473251"	279.012647	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H+Na"	23.996494
"1063943"	186.34419	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2H+Na"	25.00377
"1272392"	567.062286	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+CH3OH+H"	33.033486
"388933"	1107.020758	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+K"	38.963158
"750293"	1641.049558	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+K"	38.963158
"1552350"	572.991958	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+K"	38.963158
"308793"	554.014017	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+H+K"	39.970434
"698660"	821.028417	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+H+K"	39.970434
"1449198"	286.999617	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H+K"	39.970434
"239984"	1110.091426	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+ACN+H"	42.033826
"1213056"	576.062626	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+ACN+H"	42.033826
"1196938"	288.534951	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+ACN+2H"	43.041102
"198203"	1113.02876	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+2Na-H"	44.97116
"634484"	1647.05756	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+2Na-H"	44.97116
"1145163"	578.99996	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2Na-H"	44.97116
"181278"	557.018018	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+2Na"	45.978436
"625220"	824.032418	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+2Na"	45.978436
"1123253"	290.003618	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2Na"	45.978436
"1405684"	193.671504	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H+2Na"	46.985712
"1438896"	581.041546	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H+HCOOH"	47.012746
"232973"	562.05104	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+3H2O+2H"	56.04448
"1519940"	595.09359	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+IsoProp+H"	61.06479
"420354"	565.004988	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+Na+K"	61.952376
"781712"	832.019388	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+Na+K"	61.952376
"1675493"	297.990588	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Na+K"	61.952376
"262013"	1132.073368	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+ACN+Na"	64.015768
"1233994"	598.044568	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+ACN+Na"	64.015768
"1719601"	598.068093	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+NH4+HCOOH"	64.039293
"1188233"	200.998818	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+3Na"	68.967654
"1655939"	603.023488	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Na+HCOOH"	68.994688
"166082"	1144.97664	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+2K-H"	76.91904
"602364"	1679.00544	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+2K-H"	76.91904
"1090159"	610.94784	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2K-H"	76.91904
"148067"	572.991958	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"2M+2K"	77.926316
"587627"	840.006358	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"3M+2K"	77.926316
"1074327"	305.977558	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2K"	77.926316
"1103162"	612.962392	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2K+H"	78.933592
"1339546"	613.050007	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+DMSO+H"	79.021207
"1008075"	617.089176	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2ACN+H"	83.060376
"1528388"	618.082808	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+IsoProp+Na+H"	84.054008
"1004330"	309.048226	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+2ACN+2H"	84.067652
"1602360"	618.997428	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+K+HCOOH"	84.968628
"1427773"	649.028938	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+H+CF3COOH"	115.000138
"1160612"	329.561501	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+3ACN+2H"	125.094202
"1711256"	666.055485	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+NH4+CF3COOH"	132.026685
"1648731"	671.01088	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+Na+CF3COOH"	136.98208
"1580369"	686.98482	"C16155"	"UDP-L-Ara4O;UDP-4-ketopentose;Uridine 5-diphospho-beta-(L-threo-pentapyranosyl-4-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"	"C14H20N2O16P2"	"534.0288"	"M+K+CF3COOH"	152.95602
"816204"	1005.7187	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M"	0
"986460"	986.70031	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-H2O-H"	-19.01839
"77983"	669.471857333333	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M-3H"	-3.021828
"515354"	1004.711424	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M-3H"	-3.021828
"889875"	334.232290666667	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-3H"	-3.021828
"13199"	1004.711424	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M-2H"	-2.014552
"452395"	1507.570774	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M-2H"	-2.014552
"830195"	501.852074	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-2H"	-2.014552
"91646"	2010.430124	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M-H"	-1.007276
"531205"	3016.148824	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M-H"	-1.007276
"907547"	1004.711424	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-H"	-1.007276
"57551"	2027.456671	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M-2H+NH4"	16.019271
"497112"	3033.175371	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M-2H+NH4"	16.019271
"871634"	1021.737971	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-2H+NH4"	16.019271
"37348"	2032.412066	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M-2H+Na"	20.974666
"474720"	3038.130766	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M-2H+Na"	20.974666
"850334"	1026.693366	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-2H+Na"	20.974666
"1628620"	1026.693366	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Na-2H"	20.974666
"105882"	1022.699763	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M-H+Cl"	33.962126
"543617"	1525.559113	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M-H+Cl"	33.962126
"937136"	519.840413	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-H+Cl"	33.962126
"274602"	2046.406802	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+Cl"	34.969402
"671758"	3052.125502	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+Cl"	34.969402
"1284890"	1040.688102	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Cl"	34.969402
"28537"	2048.386006	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M-2H+K"	36.948606
"467732"	3054.104706	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M-2H+K"	36.948606
"846633"	1042.667306	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-2H+K"	36.948606
"1570484"	1042.667306	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+K-2H"	36.948606
"957274"	1050.716894	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-H+HCOOH"	44.998194
"373304"	2056.435601	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+HCOOH-H"	44.998201
"361075"	2070.451251	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+Hac-H"	59.013851
"1501639"	1064.732551	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Hac-H"	59.013851
"973922"	1072.698851	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-H+NaCOOH"	66.980151
"119181"	1040.688102	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+2Cl"	69.938804
"552180"	1543.547452	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+2Cl"	69.938804
"1030827"	537.828752	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2Cl"	69.938804
"1249320"	1084.637585	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Br"	78.918885
"1308490"	1086.693572	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Cl+HCOOH"	80.974872
"1328174"	1108.675529	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Cl+NaCOOH"	102.956829
"916314"	1118.704286	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M-H+CF3COOH"	112.985586
"1299218"	1154.680964	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Cl+CF3COOH"	148.962264
"1376286"	970.706024	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H-2H2O"	-35.012676
"1392690"	988.716	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H-H2O"	-17.0027
"295294"	2012.444676	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+H"	1.007276
"685890"	3018.163376	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+H"	1.007276
"1363700"	1006.725976	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H"	1.007276
"132940"	1006.725976	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+2H"	2.014552
"569216"	1509.585326	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+2H"	2.014552
"1050061"	503.866626	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2H"	2.014552
"214315"	671.486409333333	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+3H"	3.021828
"653144"	1006.725976	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+3H"	3.021828
"1170177"	336.246842666667	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+3H"	3.021828
"435272"	2029.471223	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+NH4"	18.033823
"797360"	3035.189923	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+NH4"	18.033823
"1690776"	1023.752523	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+NH4"	18.033823
"337959"	1015.2392495	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+H+NH4"	19.041099
"731477"	1518.0985995	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+H+NH4"	19.041099
"1489671"	512.3798995	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H+NH4"	19.041099
"406165"	2034.426618	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+Na"	22.989218
"766799"	3040.145318	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+Na"	22.989218
"1612711"	1028.707918	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Na"	22.989218
"323111"	1017.716947	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+H+Na"	23.996494
"717719"	1520.576297	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+H+Na"	23.996494
"1473361"	514.857597	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H+Na"	23.996494
"1065874"	343.574156666667	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2H+Na"	25.00377
"1269013"	1038.752186	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+CH3OH+H"	33.033486
"389043"	2050.400558	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+K"	38.963158
"750767"	3056.119258	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+K"	38.963158
"1549906"	1044.681858	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+K"	38.963158
"309267"	1025.703917	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+H+K"	39.970434
"698770"	1528.563267	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+H+K"	39.970434
"1449308"	522.844567	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H+K"	39.970434
"242280"	2053.471226	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+ACN+H"	42.033826
"1214989"	1047.752526	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+ACN+H"	42.033826
"1198873"	524.379901	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+ACN+2H"	43.041102
"197219"	2056.40856	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+2Na-H"	44.97116
"635687"	3062.12726	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+2Na-H"	44.97116
"1145633"	1050.68986	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2Na-H"	44.97116
"182481"	1028.707918	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+2Na"	45.978436
"624232"	1531.567268	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+2Na"	45.978436
"1121173"	525.848568	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2Na"	45.978436
"1405794"	350.901470666667	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H+2Na"	46.985712
"1435724"	1052.731446	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H+HCOOH"	47.012746
"228701"	1033.74094	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+3H2O+2H"	56.04448
"1521871"	1066.78349	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+IsoProp+H"	61.06479
"420461"	1036.694888	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+Na+K"	61.952376
"781457"	1539.554238	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+Na+K"	61.952376
"1676694"	533.835538	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Na+K"	61.952376
"261027"	2075.453168	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+ACN+Na"	64.015768
"1233739"	1069.734468	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+ACN+Na"	64.015768
"1714243"	1069.757993	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+NH4+HCOOH"	64.039293
"1182876"	358.228784666667	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+3Na"	68.967654
"1654956"	1074.713388	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Na+HCOOH"	68.994688
"167286"	2088.35644	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+2K-H"	76.91904
"601379"	3094.07514	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+2K-H"	76.91904
"1089175"	1082.63774	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2K-H"	76.91904
"143801"	1044.681858	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"2M+2K"	77.926316
"581618"	1547.541208	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"3M+2K"	77.926316
"1073343"	541.822508	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2K"	77.926316
"1101204"	1084.652292	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2K+H"	78.933592
"1335884"	1084.739907	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+DMSO+H"	79.021207
"1006357"	1088.779076	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2ACN+H"	83.060376
"1525338"	1089.772708	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+IsoProp+Na+H"	84.054008
"1000424"	544.893176	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+2ACN+2H"	84.067652
"1589824"	1090.687328	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+K+HCOOH"	84.968628
"1424967"	1120.718838	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+H+CF3COOH"	115.000138
"1160721"	565.406451	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+3ACN+2H"	125.094202
"1704804"	1137.745385	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+NH4+CF3COOH"	132.026685
"1645922"	1142.70078	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+Na+CF3COOH"	136.98208
"1580479"	1158.67472	"C16156"	"Undecaprenyl phosphate alpha-L-Ara4FN;4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C61H100NO8P"	"1005.7187"	"M+K+CF3COOH"	152.95602
"816314"	977.7237	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M"	0
"986570"	958.70531	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-H2O-H"	-19.01839
"74811"	650.808524	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M-3H"	-3.021828
"515464"	976.716424	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M-3H"	-3.021828
"889985"	324.900624	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-3H"	-3.021828
"13674"	976.716424	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M-2H"	-2.014552
"451411"	1465.578274	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M-2H"	-2.014552
"830669"	487.854574	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-2H"	-2.014552
"91758"	1954.440124	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M-H"	-1.007276
"531680"	2932.163824	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M-H"	-1.007276
"906563"	976.716424	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-H"	-1.007276
"57662"	1971.466671	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M-2H+NH4"	16.019271
"495035"	2949.190371	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M-2H+NH4"	16.019271
"868464"	993.742971	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-2H+NH4"	16.019271
"34178"	1976.422066	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M-2H+Na"	20.974666
"475923"	2954.145766	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M-2H+Na"	20.974666
"849348"	998.698366	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-2H+Na"	20.974666
"1628730"	998.698366	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Na-2H"	20.974666
"108176"	994.704763	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M-H+Cl"	33.962126
"545913"	1483.566613	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M-H+Cl"	33.962126
"940157"	505.842913	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-H+Cl"	33.962126
"277626"	1990.416802	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+Cl"	34.969402
"672234"	2968.140502	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+Cl"	34.969402
"1286458"	1012.693102	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Cl"	34.969402
"28647"	1992.396006	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M-2H+K"	36.948606
"468206"	2970.119706	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M-2H+K"	36.948606
"845650"	1014.672306	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-2H+K"	36.948606
"1571085"	1014.672306	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+K-2H"	36.948606
"957385"	1022.721894	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-H+HCOOH"	44.998194
"375600"	2000.445601	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+HCOOH-H"	44.998201
"361061"	2014.461251	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+Hac-H"	59.013851
"1501749"	1036.737551	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Hac-H"	59.013851
"973587"	1044.703851	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-H+NaCOOH"	66.980151
"121478"	1012.693102	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+2Cl"	69.938804
"552289"	1501.554952	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+2Cl"	69.938804
"1025469"	523.831252	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2Cl"	69.938804
"1251616"	1056.642585	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Br"	78.918885
"1308599"	1058.698572	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Cl+HCOOH"	80.974872
"1327190"	1080.680529	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Cl+NaCOOH"	102.956829
"916424"	1090.709286	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M-H+CF3COOH"	112.985586
"1300421"	1126.685964	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Cl+CF3COOH"	148.962264
"1375303"	942.711024	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H-2H2O"	-35.012676
"1391706"	960.721	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H-H2O"	-17.0027
"296497"	1956.454676	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+H"	1.007276
"686000"	2934.178376	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+H"	1.007276
"1363080"	978.730976	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H"	1.007276
"129770"	978.730976	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+2H"	2.014552
"567504"	1467.592826	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+2H"	2.014552
"1050534"	489.869126	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2H"	2.014552
"213696"	652.823076	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+3H"	3.021828
"653254"	978.730976	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+3H"	3.021828
"1170287"	326.915176	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+3H"	3.021828
"435746"	1973.481223	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+NH4"	18.033823
"796741"	2951.204923	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+NH4"	18.033823
"1691979"	995.757523	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+NH4"	18.033823
"338070"	987.2442495	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+H+NH4"	19.041099
"735960"	1476.1060995	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+H+NH4"	19.041099
"1489782"	498.3823995	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H+NH4"	19.041099
"406276"	1978.436618	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+Na"	22.989218
"768003"	2956.160318	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+Na"	22.989218
"1614278"	1000.712918	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Na"	22.989218
"325407"	989.721947	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+H+Na"	23.996494
"721111"	1478.583797	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+H+Na"	23.996494
"1475295"	500.860097	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H+Na"	23.996494
"1067446"	334.24249	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2H+Na"	25.00377
"1270944"	1010.757186	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+CH3OH+H"	33.033486
"389517"	1994.410558	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+K"	38.963158
"753429"	2972.134258	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+K"	38.963158
"1553659"	1016.686858	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+K"	38.963158
"308647"	997.708917	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+H+K"	39.970434
"696693"	1486.570767	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+H+K"	39.970434
"1449417"	508.847067	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H+K"	39.970434
"242391"	1997.481226	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+ACN+H"	42.033826
"1219473"	1019.757526	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+ACN+H"	42.033826
"1207367"	510.382401	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+ACN+2H"	43.041102
"196236"	2000.41856	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+2Na-H"	44.97116
"632515"	2978.14226	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+2Na-H"	44.97116
"1144771"	1022.69486	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2Na-H"	44.97116
"179312"	1000.712918	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+2Na"	45.978436
"619969"	1489.574768	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+2Na"	45.978436
"1121283"	511.851068	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2Na"	45.978436
"1403714"	341.569804	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H+2Na"	46.985712
"1438021"	1024.736446	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H+HCOOH"	47.012746
"228811"	1005.74594	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+3H2O+2H"	56.04448
"1514687"	1038.78849	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+IsoProp+H"	61.06479
"416560"	1008.699888	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+Na+K"	61.952376
"783026"	1497.561738	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+Na+K"	61.952376
"1677168"	519.838038	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Na+K"	61.952376
"260409"	2019.463168	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+ACN+Na"	64.015768
"1235307"	1041.739468	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+ACN+Na"	64.015768
"1715446"	1041.762993	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+NH4+HCOOH"	64.039293
"1182986"	348.897118	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+3Na"	68.967654
"1655066"	1046.718388	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Na+HCOOH"	68.994688
"165209"	2032.36644	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+2K-H"	76.91904
"601489"	3010.09014	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+2K-H"	76.91904
"1089285"	1054.64274	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2K-H"	76.91904
"143911"	1016.686858	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"2M+2K"	77.926316
"582134"	1505.548708	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"3M+2K"	77.926316
"1072360"	527.825008	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2K"	77.926316
"1100097"	1056.657292	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2K+H"	78.933592
"1335988"	1056.744907	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+DMSO+H"	79.021207
"1006712"	1060.784076	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2ACN+H"	83.060376
"1525327"	1061.777708	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+IsoProp+Na+H"	84.054008
"995064"	530.895676	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+2ACN+2H"	84.067652
"1590660"	1062.692328	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+K+HCOOH"	84.968628
"1423983"	1092.723838	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+H+CF3COOH"	115.000138
"1159740"	551.408951	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+3ACN+2H"	125.094202
"1708194"	1109.750385	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+NH4+CF3COOH"	132.026685
"1648584"	1114.70578	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+Na+CF3COOH"	136.98208
"1580589"	1130.67972	"C16157"	"Undecaprenyl phosphate alpha-L-Ara4N;4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditransoctacis-undecaprenyl phosphate"	"C60H100NO7P"	"977.7237"	"M+K+CF3COOH"	152.95602
"807679"	160.0372	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M"	0
"983400"	141.01881	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-H2O-H"	-19.01839
"74923"	105.684190666667	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M-3H"	-3.021828
"514483"	159.029924	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M-3H"	-3.021828
"894925"	52.3384573333333	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-3H"	-3.021828
"11959"	159.029924	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M-2H"	-2.014552
"452980"	239.048524	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M-2H"	-2.014552
"830903"	79.011324	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-2H"	-2.014552
"91499"	319.067124	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M-H"	-1.007276
"531790"	479.104324	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M-H"	-1.007276
"905587"	159.029924	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-H"	-1.007276
"56681"	336.093671	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M-2H+NH4"	16.019271
"492960"	496.130871	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M-2H+NH4"	16.019271
"871855"	176.056471	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-2H+NH4"	16.019271
"33678"	341.049066	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M-2H+Na"	20.974666
"475668"	501.086266	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M-2H+Na"	20.974666
"859307"	181.011866	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-2H+Na"	20.974666
"1629934"	181.011866	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Na-2H"	20.974666
"108287"	177.018263	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M-H+Cl"	33.962126
"547847"	257.036863	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M-H+Cl"	33.962126
"939541"	96.999663	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-H+Cl"	33.962126
"278830"	355.043802	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+Cl"	34.969402
"670525"	515.081002	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+Cl"	34.969402
"1279648"	195.006602	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Cl"	34.969402
"29127"	357.023006	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M-2H+K"	36.948606
"465045"	517.060206	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M-2H+K"	36.948606
"847583"	196.985806	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-2H+K"	36.948606
"1567793"	196.985806	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+K-2H"	36.948606
"956402"	205.035394	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-H+HCOOH"	44.998194
"376201"	365.072601	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+HCOOH-H"	44.998201
"358496"	379.088251	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+Hac-H"	59.013851
"1500770"	219.051051	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Hac-H"	59.013851
"970496"	227.017351	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-H+NaCOOH"	66.980151
"119403"	195.006602	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+2Cl"	69.938804
"556050"	275.025202	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+2Cl"	69.938804
"1026681"	114.988002	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2Cl"	69.938804
"1243344"	238.956085	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Br"	78.918885
"1309439"	241.012072	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Cl+HCOOH"	80.974872
"1320737"	262.994029	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Cl+NaCOOH"	102.956829
"912887"	273.022786	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M-H+CF3COOH"	112.985586
"1290326"	308.999464	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Cl+CF3COOH"	148.962264
"1370308"	125.024524	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H-2H2O"	-35.012676
"1391816"	143.0345	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H-H2O"	-17.0027
"289316"	321.081676	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+H"	1.007276
"686113"	481.118876	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+H"	1.007276
"1362462"	161.044476	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H"	1.007276
"132068"	161.044476	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+2H"	2.014552
"581082"	241.063076	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+2H"	2.014552
"1052597"	81.025876	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2H"	2.014552
"213806"	107.698742666667	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+3H"	3.021828
"657377"	161.044476	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+3H"	3.021828
"1174410"	54.3530093333333	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+3H"	3.021828
"431483"	338.108223	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+NH4"	18.033823
"794665"	498.145423	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+NH4"	18.033823
"1686620"	178.071023	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+NH4"	18.033823
"344743"	169.5577495	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+H+NH4"	19.041099
"734977"	249.5763495	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+H+NH4"	19.041099
"1488798"	89.5391495	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H+NH4"	19.041099
"406385"	343.063618	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+Na"	22.989218
"766291"	503.100818	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+Na"	22.989218
"1615481"	183.026418	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Na"	22.989218
"325517"	172.035447	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+H+Na"	23.996494
"715752"	252.054047	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+H+Na"	23.996494
"1473946"	92.016847	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H+Na"	23.996494
"1068326"	61.6803233333333	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2H+Na"	25.00377
"1268868"	193.070686	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+CH3OH+H"	33.033486
"390722"	359.037558	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+K"	38.963158
"749532"	519.074758	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+K"	38.963158
"1554136"	199.000358	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+K"	38.963158
"308757"	180.022417	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+H+K"	39.970434
"696803"	260.041017	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+H+K"	39.970434
"1450984"	100.003817	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H+K"	39.970434
"240677"	362.108226	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+ACN+H"	42.033826
"1214479"	202.071026	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+ACN+H"	42.033826
"1209474"	101.539151	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+ACN+2H"	43.041102
"202909"	365.04556	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+2Na-H"	44.97116
"643565"	525.08276	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+2Na-H"	44.97116
"1146625"	205.00836	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2Na-H"	44.97116
"184891"	183.026418	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+2Na"	45.978436
"623358"	263.045018	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+2Na"	45.978436
"1125771"	103.007818	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2Na"	45.978436
"1410394"	69.0076373333333	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H+2Na"	46.985712
"1443608"	207.049946	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H+HCOOH"	47.012746
"235125"	188.05944	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+3H2O+2H"	56.04448
"1523794"	221.10199	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+IsoProp+H"	61.06479
"422998"	191.013388	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+Na+K"	61.952376
"785326"	271.031988	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+Na+K"	61.952376
"1676188"	110.994788	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Na+K"	61.952376
"260523"	384.090168	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+ACN+Na"	64.015768
"1232138"	224.052968	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+ACN+Na"	64.015768
"1719929"	224.076493	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+NH4+HCOOH"	64.039293
"1182003"	76.3349513333333	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+3Na"	68.967654
"1656271"	229.031888	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Na+HCOOH"	68.994688
"159851"	396.99344	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+2K-H"	76.91904
"605979"	557.03064	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+2K-H"	76.91904
"1090491"	236.95624	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2K-H"	76.91904
"145120"	199.000358	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"2M+2K"	77.926316
"586867"	279.018958	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"3M+2K"	77.926316
"1071011"	118.981758	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2K"	77.926316
"1105680"	238.970792	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2K+H"	78.933592
"1338784"	239.058407	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+DMSO+H"	79.021207
"1007551"	243.097576	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2ACN+H"	83.060376
"1532010"	244.091208	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+IsoProp+Na+H"	84.054008
"998458"	122.052426	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+2ACN+2H"	84.067652
"1598437"	245.005828	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+K+HCOOH"	84.968628
"1421908"	275.037338	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+H+CF3COOH"	115.000138
"1154382"	142.565701	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+3ACN+2H"	125.094202
"1708307"	292.063885	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+NH4+CF3COOH"	132.026685
"1646143"	297.01928	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+Na+CF3COOH"	136.98208
"1577420"	312.99322	"C16159"	"2-Formylglutarate"	"C6H8O5"	"160.0372"	"M+K+CF3COOH"	152.95602
"807789"	1027.3292	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M"	0
"985697"	1008.31081	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H2O-H"	-19.01839
"77225"	683.878857333333	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-3H"	-3.021828
"518396"	1026.321924	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-3H"	-3.021828
"889122"	341.435790666667	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-3H"	-3.021828
"13895"	1026.321924	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H"	-2.014552
"453819"	1539.986524	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H"	-2.014552
"831619"	512.657324	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H"	-2.014552
"90157"	2053.651124	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-H"	-1.007276
"523521"	3080.980324	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-H"	-1.007276
"898043"	1026.321924	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H"	-1.007276
"47916"	2070.677671	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H+NH4"	16.019271
"491979"	3098.006871	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H+NH4"	16.019271
"870872"	1043.348471	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H+NH4"	16.019271
"34523"	2075.633066	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H+Na"	20.974666
"478338"	3102.962266	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H+Na"	20.974666
"860518"	1048.303866	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H+Na"	20.974666
"1630051"	1048.303866	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na-2H"	20.974666
"105485"	1044.310263	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-H+Cl"	33.962126
"545775"	1557.974863	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-H+Cl"	33.962126
"935281"	530.645663	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+Cl"	33.962126
"276025"	2089.627802	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Cl"	34.969402
"668447"	3116.957002	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+Cl"	34.969402
"1283035"	1062.298602	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl"	34.969402
"25594"	2091.607006	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M-2H+K"	36.948606
"468432"	3118.936206	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M-2H+K"	36.948606
"844779"	1064.277806	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-2H+K"	36.948606
"1567535"	1064.277806	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K-2H"	36.948606
"956877"	1072.327394	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+HCOOH"	44.998194
"375091"	2099.656601	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+HCOOH-H"	44.998201
"356421"	2113.672251	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Hac-H"	59.013851
"1500880"	1086.343051	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Hac-H"	59.013851
"966242"	1094.309351	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+NaCOOH"	66.980151
"115152"	1062.298602	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2Cl"	69.938804
"552525"	1575.963202	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2Cl"	69.938804
"1023877"	548.634002	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2Cl"	69.938804
"1243817"	1106.248085	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Br"	78.918885
"1306263"	1108.304072	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl+HCOOH"	80.974872
"1321209"	1130.286029	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl+NaCOOH"	102.956829
"912269"	1140.314786	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M-H+CF3COOH"	112.985586
"1293716"	1176.291464	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Cl+CF3COOH"	148.962264
"1372607"	992.316524	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H-2H2O"	-35.012676
"1391927"	1010.3265	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H-H2O"	-17.0027
"292707"	2055.665676	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H"	1.007276
"688048"	3082.994876	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H"	1.007276
"1366222"	1028.336476	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H"	1.007276
"136559"	1028.336476	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2H"	2.014552
"571745"	1542.001076	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2H"	2.014552
"1040545"	514.671876	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2H"	2.014552
"215007"	685.893409333333	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+3H"	3.021828
"652381"	1028.336476	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+3H"	3.021828
"1171601"	343.450342666667	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+3H"	3.021828
"430500"	2072.692223	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+NH4"	18.033823
"800126"	3100.021423	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+NH4"	18.033823
"1695121"	1045.363023	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+NH4"	18.033823
"340483"	1036.8497495	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H+NH4"	19.041099
"730719"	1550.5143495	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H+NH4"	19.041099
"1490003"	523.1851495	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+NH4"	19.041099
"406496"	2077.647618	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Na"	22.989218
"766398"	3104.976818	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+Na"	22.989218
"1617413"	1050.318418	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na"	22.989218
"328907"	1039.327447	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H+Na"	23.996494
"719141"	1552.992047	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H+Na"	23.996494
"1472960"	525.662847	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+Na"	23.996494
"1061830"	350.777656666667	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2H+Na"	25.00377
"1266792"	1060.362686	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+CH3OH+H"	33.033486
"387553"	2093.621558	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+K"	38.963158
"748548"	3120.950758	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+K"	38.963158
"1549508"	1066.292358	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K"	38.963158
"311786"	1047.314417	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+H+K"	39.970434
"695823"	1560.979017	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+H+K"	39.970434
"1455111"	533.649817	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+K"	39.970434
"250649"	2096.692226	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+ACN+H"	42.033826
"1224697"	1069.363026	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+ACN+H"	42.033826
"1209792"	535.185151	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+ACN+2H"	43.041102
"204175"	2099.62956	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2Na-H"	44.97116
"640399"	3126.95876	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2Na-H"	44.97116
"1144995"	1072.30036	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2Na-H"	44.97116
"187197"	1050.318418	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2Na"	45.978436
"627492"	1563.983018	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2Na"	45.978436
"1130633"	536.653818	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2Na"	45.978436
"1412697"	358.104970666667	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+2Na"	46.985712
"1444082"	1074.341946	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+HCOOH"	47.012746
"234504"	1055.35144	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+3H2O+2H"	56.04448
"1523988"	1088.39399	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+IsoProp+H"	61.06479
"422620"	1058.305388	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+Na+K"	61.952376
"782158"	1571.969988	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+Na+K"	61.952376
"1678853"	544.640788	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na+K"	61.952376
"260633"	2118.674168	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+ACN+Na"	64.015768
"1232249"	1091.344968	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+ACN+Na"	64.015768
"1717853"	1091.368493	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+NH4+HCOOH"	64.039293
"1185402"	365.432284666667	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+3Na"	68.967654
"1657482"	1096.323888	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na+HCOOH"	68.994688
"159965"	2131.57744	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2K-H"	76.91904
"606090"	3158.90664	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2K-H"	76.91904
"1090602"	1104.24824	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2K-H"	76.91904
"143408"	1066.292358	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"2M+2K"	77.926316
"594634"	1579.956958	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"3M+2K"	77.926316
"1076958"	552.627758	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2K"	77.926316
"1109074"	1106.262792	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2K+H"	78.933592
"1344376"	1106.350407	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+DMSO+H"	79.021207
"1018373"	1110.389576	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2ACN+H"	83.060376
"1533222"	1111.383208	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+IsoProp+Na+H"	84.054008
"998576"	555.698426	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+2ACN+2H"	84.067652
"1597452"	1112.297828	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K+HCOOH"	84.968628
"1423112"	1142.329338	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+H+CF3COOH"	115.000138
"1156682"	576.211701	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+3ACN+2H"	125.094202
"1705138"	1159.355885	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+NH4+CF3COOH"	132.026685
"1642974"	1164.31128	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+Na+CF3COOH"	136.98208
"1577531"	1180.28522	"C16162"	"(9Z12Z15Z)-Octadecatrienoyl-CoA;alpha-Linolenoyl-CoA"	"C39H64N7O17P3S"	"1027.3292"	"M+K+CF3COOH"	152.95602
"806806"	1025.3136	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M"	0
"983618"	1006.29521	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-H2O-H"	-19.01839
"77990"	682.535124	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M-3H"	-3.021828
"517632"	1024.306324	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M-3H"	-3.021828
"894945"	340.763924	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-3H"	-3.021828
"13277"	1024.306324	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M-2H"	-2.014552
"454664"	1536.963124	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M-2H"	-2.014552
"831004"	511.649524	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-2H"	-2.014552
"89905"	2049.619924	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M-H"	-1.007276
"528005"	3074.933524	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M-H"	-1.007276
"904714"	1024.306324	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-H"	-1.007276
"55808"	2066.646471	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M-2H+NH4"	16.019271
"493182"	3091.960071	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M-2H+NH4"	16.019271
"878881"	1041.332871	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-2H+NH4"	16.019271
"37793"	2071.601866	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M-2H+Na"	20.974666
"483552"	3096.915466	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M-2H+Na"	20.974666
"863916"	1046.288266	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-2H+Na"	20.974666
"1633807"	1046.288266	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Na-2H"	20.974666
"107419"	1042.294663	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M-H+Cl"	33.962126
"546250"	1554.951463	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M-H+Cl"	33.962126
"938675"	529.637863	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-H+Cl"	33.962126
"277958"	2085.596602	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+Cl"	34.969402
"672568"	3110.910202	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+Cl"	34.969402
"1283511"	1060.283002	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Cl"	34.969402
"29714"	2087.575806	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M-2H+K"	36.948606
"469637"	3112.889406	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M-2H+K"	36.948606
"845255"	1062.262206	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-2H+K"	36.948606
"1568741"	1062.262206	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+K-2H"	36.948606
"957232"	1070.311794	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-H+HCOOH"	44.998194
"375445"	2095.625401	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+HCOOH-H"	44.998201
"356531"	2109.641051	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+Hac-H"	59.013851
"1500990"	1084.327451	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Hac-H"	59.013851
"970726"	1092.293751	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-H+NaCOOH"	66.980151
"116355"	1060.283002	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+2Cl"	69.938804
"551907"	1572.939802	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+2Cl"	69.938804
"1029094"	547.626202	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2Cl"	69.938804
"1245387"	1104.232485	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Br"	78.918885
"1311119"	1106.288472	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Cl+HCOOH"	80.974872
"1324238"	1128.270429	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Cl+NaCOOH"	102.956829
"912745"	1138.299186	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M-H+CF3COOH"	112.985586
"1299659"	1174.275864	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Cl+CF3COOH"	148.962264
"1377457"	990.300924	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H-2H2O"	-35.012676
"1393132"	1008.3109	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H-H2O"	-17.0027
"295369"	2051.634476	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+H"	1.007276
"689618"	3076.948076	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+H"	1.007276
"1365971"	1026.320876	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H"	1.007276
"136669"	1026.320876	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+2H"	2.014552
"574042"	1538.977676	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+2H"	2.014552
"1050498"	513.664076	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2H"	2.014552
"218400"	684.549676	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+3H"	3.021828
"655774"	1026.320876	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+3H"	3.021828
"1173898"	342.778476	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+3H"	3.021828
"429517"	2068.661023	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+NH4"	18.033823
"799871"	3093.974623	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+NH4"	18.033823
"1695592"	1043.347423	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+NH4"	18.033823
"343511"	1034.8341495	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+H+NH4"	19.041099
"734839"	1547.4909495	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+H+NH4"	19.041099
"1489021"	522.1773495	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H+NH4"	19.041099
"406608"	2073.616418	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+Na"	22.989218
"767604"	3098.930018	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+Na"	22.989218
"1613516"	1048.302818	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Na"	22.989218
"326832"	1037.311847	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+H+Na"	23.996494
"720346"	1549.968647	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+H+Na"	23.996494
"1475258"	524.655047	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H+Na"	23.996494
"1065223"	350.10579	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2H+Na"	25.00377
"1269089"	1058.347086	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+CH3OH+H"	33.033486
"391310"	2089.590358	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+K"	38.963158
"748658"	3114.903958	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+K"	38.963158
"1552897"	1064.276758	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+K"	38.963158
"311168"	1045.298817	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+H+K"	39.970434
"697027"	1557.955617	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+H+K"	39.970434
"1455221"	532.642017	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H+K"	39.970434
"250759"	2092.661026	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+ACN+H"	42.033826
"1224197"	1067.347426	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+ACN+H"	42.033826
"1205886"	534.177351	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+ACN+2H"	43.041102
"200942"	2095.59836	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+2Na-H"	44.97116
"641239"	3120.91196	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+2Na-H"	44.97116
"1140730"	1070.28476	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2Na-H"	44.97116
"187307"	1048.302818	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+2Na"	45.978436
"628378"	1560.959618	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+2Na"	45.978436
"1131304"	535.646018	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2Na"	45.978436
"1413779"	357.433104	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H+2Na"	46.985712
"1444555"	1072.326346	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H+HCOOH"	47.012746
"233521"	1053.33584	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+3H2O+2H"	56.04448
"1524158"	1086.37839	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+IsoProp+H"	61.06479
"422367"	1056.289788	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+Na+K"	61.952376
"785143"	1568.946588	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+Na+K"	61.952376
"1679692"	543.632988	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Na+K"	61.952376
"261836"	2114.642968	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+ACN+Na"	64.015768
"1232361"	1089.329368	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+ACN+Na"	64.015768
"1718329"	1089.352893	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+NH4+HCOOH"	64.039293
"1185512"	364.760418	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+3Na"	68.967654
"1660872"	1094.308288	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Na+HCOOH"	68.994688
"159104"	2127.54624	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+2K-H"	76.91904
"605107"	3152.85984	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+2K-H"	76.91904
"1090712"	1102.23264	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2K-H"	76.91904
"145341"	1064.276758	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"2M+2K"	77.926316
"594744"	1576.933558	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"3M+2K"	77.926316
"1077068"	551.619958	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2K"	77.926316
"1109184"	1104.247192	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2K+H"	78.933592
"1349469"	1104.334807	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+DMSO+H"	79.021207
"1019457"	1108.373976	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2ACN+H"	83.060376
"1534426"	1109.367608	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+IsoProp+Na+H"	84.054008
"999781"	554.690626	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+2ACN+2H"	84.067652
"1595378"	1110.282228	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+K+HCOOH"	84.968628
"1421035"	1140.313738	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+H+CF3COOH"	115.000138
"1157884"	575.203901	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+3ACN+2H"	125.094202
"1708528"	1157.340285	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+NH4+CF3COOH"	132.026685
"1646364"	1162.29568	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+Na+CF3COOH"	136.98208
"1577641"	1178.26962	"C16163"	"(6Z9Z12Z15Z)-Octadecatetraenoyl-CoA;Stearidonoyl-CoA"	"C39H62N7O17P3S"	"1025.3136"	"M+K+CF3COOH"	152.95602
"816279"	1053.3449	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M"	0
"988476"	1034.32651	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H2O-H"	-19.01839
"76964"	701.222657333333	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-3H"	-3.021828
"515915"	1052.337624	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-3H"	-3.021828
"894328"	350.107690666667	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-3H"	-3.021828
"10106"	1052.337624	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H"	-2.014552
"453316"	1579.010074	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H"	-2.014552
"828928"	525.665174	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H"	-2.014552
"88555"	2105.682524	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-H"	-1.007276
"527022"	3159.027424	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-H"	-1.007276
"900451"	1052.337624	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H"	-1.007276
"54826"	2122.709071	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+NH4"	16.019271
"497666"	3176.053971	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+NH4"	16.019271
"877655"	1069.364171	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+NH4"	16.019271
"41185"	2127.664466	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+Na"	20.974666
"477465"	3181.009366	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+Na"	20.974666
"859641"	1074.319566	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+Na"	20.974666
"1632093"	1074.319566	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na-2H"	20.974666
"107893"	1070.325963	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-H+Cl"	33.962126
"546723"	1596.998413	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-H+Cl"	33.962126
"940604"	543.653513	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+Cl"	33.962126
"280257"	2141.659202	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Cl"	34.969402
"671585"	3195.004102	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Cl"	34.969402
"1285447"	1088.314302	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl"	34.969402
"26910"	2143.638406	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+K"	36.948606
"467199"	3196.983306	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+K"	36.948606
"843178"	1090.293506	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+K"	36.948606
"1566667"	1090.293506	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K-2H"	36.948606
"954911"	1098.343094	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+HCOOH"	44.998194
"371666"	2151.688001	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+HCOOH-H"	44.998201
"359921"	2165.703651	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Hac-H"	59.013851
"1497820"	1112.358751	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Hac-H"	59.013851
"967552"	1120.325051	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+NaCOOH"	66.980151
"123754"	1088.314302	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Cl"	69.938804
"561130"	1614.986752	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Cl"	69.938804
"1023734"	561.641852	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Cl"	69.938804
"1241849"	1132.263785	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Br"	78.918885
"1310134"	1134.319772	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+HCOOH"	80.974872
"1328722"	1156.301729	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+NaCOOH"	102.956829
"913583"	1166.330486	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+CF3COOH"	112.985586
"1293210"	1202.307164	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+CF3COOH"	148.962264
"1375748"	1018.332224	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H-2H2O"	-35.012676
"1389963"	1036.3422	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H-H2O"	-17.0027
"296578"	2107.697076	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H"	1.007276
"688635"	3161.041976	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H"	1.007276
"1365352"	1054.352176	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H"	1.007276
"139698"	1054.352176	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2H"	2.014552
"578527"	1581.024626	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2H"	2.014552
"1050244"	527.679726	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2H"	2.014552
"218511"	703.237209333333	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+3H"	3.021828
"659762"	1054.352176	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+3H"	3.021828
"1174008"	352.122242666667	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3H"	3.021828
"431814"	2124.723623	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+NH4"	18.033823
"801080"	3178.068523	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+NH4"	18.033823
"1696802"	1071.378723	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4"	18.033823
"345572"	1062.8654495	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+NH4"	19.041099
"737867"	1589.5378995	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+NH4"	19.041099
"1492173"	536.1929995	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+NH4"	19.041099
"408058"	2129.679018	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Na"	22.989218
"769418"	3183.023918	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Na"	22.989218
"1617273"	1076.334118	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na"	22.989218
"328646"	1065.343147	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+Na"	23.996494
"722650"	1592.015597	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+Na"	23.996494
"1476835"	538.670697	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+Na"	23.996494
"1066794"	359.449556666667	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2H+Na"	25.00377
"1270293"	1086.378386	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+CH3OH+H"	33.033486
"392790"	2145.652958	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+K"	38.963158
"753388"	3198.997858	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+K"	38.963158
"1552644"	1092.308058	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K"	38.963158
"310183"	1073.330117	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+K"	39.970434
"698230"	1600.002567	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+K"	39.970434
"1455331"	546.657667	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+K"	39.970434
"250748"	2148.723626	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+ACN+H"	42.033826
"1223214"	1095.378726	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+H"	42.033826
"1207819"	548.193001	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+2H"	43.041102
"197772"	2151.66096	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Na-H"	44.97116
"640621"	3205.00586	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Na-H"	44.97116
"1140840"	1098.31606	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Na-H"	44.97116
"187053"	1076.334118	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Na"	45.978436
"628445"	1603.006568	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Na"	45.978436
"1131301"	549.661668	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Na"	45.978436
"1414163"	366.776870666667	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+2Na"	46.985712
"1444302"	1100.357646	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+HCOOH"	47.012746
"233267"	1081.36714	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+3H2O+2H"	56.04448
"1523721"	1114.40969	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+IsoProp+H"	61.06479
"423573"	1084.321088	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Na+K"	61.952376
"783836"	1610.993538	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Na+K"	61.952376
"1680534"	557.648638	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+K"	61.952376
"263039"	2170.705568	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+ACN+Na"	64.015768
"1239031"	1117.360668	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+Na"	64.015768
"1721356"	1117.384193	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4+HCOOH"	64.039293
"1191089"	374.104184666667	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3Na"	68.967654
"1665321"	1122.339588	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+HCOOH"	68.994688
"171125"	2183.60884	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2K-H"	76.91904
"611415"	3236.95374	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2K-H"	76.91904
"1098477"	1130.26394	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K-H"	76.91904
"148732"	1092.308058	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2K"	77.926316
"594854"	1618.980508	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2K"	77.926316
"1077178"	565.635608	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K"	77.926316
"1109294"	1132.278492	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K+H"	78.933592
"1349217"	1132.366107	"C16164"	"(8Z11Z14Z17Z)-Icosatetraenoyl-CoA;(8Z11Z14Z17Z)-Icosa-8111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+DMSO+H"	79.021207
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"981651"	1032.31081	"C16165"	"(5Z8Z11Z14Z17Z)-Icosapentaenoyl-CoA;(5Z8Z11Z14Z17Z)-Icosa-58111417-pentaenoyl-CoA"	"C41H64N7O17P3S"	"1051.3292"	"M-H2O-H"	-19.01839
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"997815"	567.698426	"C16165"	"(5Z8Z11Z14Z17Z)-Icosapentaenoyl-CoA;(5Z8Z11Z14Z17Z)-Icosa-58111417-pentaenoyl-CoA"	"C41H64N7O17P3S"	"1051.3292"	"M+2ACN+2H"	84.067652
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"1424537"	1166.329338	"C16165"	"(5Z8Z11Z14Z17Z)-Icosapentaenoyl-CoA;(5Z8Z11Z14Z17Z)-Icosa-58111417-pentaenoyl-CoA"	"C41H64N7O17P3S"	"1051.3292"	"M+H+CF3COOH"	115.000138
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"810416"	1079.3605	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M"	0
"978481"	1060.34211	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-H2O-H"	-19.01839
"77673"	718.566390666667	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-3H"	-3.021828
"517230"	1078.353224	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-3H"	-3.021828
"894914"	358.779557333333	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-3H"	-3.021828
"13606"	1078.353224	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-2H"	-2.014552
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"829149"	538.672974	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-2H"	-2.014552
"87682"	2157.713724	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-H"	-1.007276
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"479872"	3259.056166	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-2H+Na"	20.974666
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"1633164"	1100.335166	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na-2H"	20.974666
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"1293430"	1228.322764	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Cl+CF3COOH"	148.962264
"1375967"	1044.347824	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H-2H2O"	-35.012676
"1392370"	1062.3578	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H-H2O"	-17.0027
"298300"	2159.728276	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H"	1.007276
"690800"	3239.088776	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H"	1.007276
"1366189"	1080.367776	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H"	1.007276
"141012"	1080.367776	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2H"	2.014552
"579844"	1620.048026	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2H"	2.014552
"1047548"	540.687526	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2H"	2.014552
"215451"	720.580942666667	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+3H"	3.021828
"656105"	1080.367776	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+3H"	3.021828
"1174230"	360.794109333333	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+3H"	3.021828
"434222"	2176.754823	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+NH4"	18.033823
"799960"	3256.115323	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+NH4"	18.033823
"1696533"	1097.394323	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+NH4"	18.033823
"345177"	1088.8810495	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H+NH4"	19.041099
"735530"	1628.5612995	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H+NH4"	19.041099
"1492313"	549.2007995	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+NH4"	19.041099
"407550"	2181.710218	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+Na"	22.989218
"767938"	3261.070718	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+Na"	22.989218
"1616036"	1102.349718	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na"	22.989218
"328018"	1091.358747	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H+Na"	23.996494
"721858"	1631.038997	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H+Na"	23.996494
"1476361"	551.678497	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+Na"	23.996494
"1067990"	368.121423333333	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2H+Na"	25.00377
"1268326"	1112.393986	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+CH3OH+H"	33.033486
"392128"	2197.684158	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+K"	38.963158
"752271"	3277.044658	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+K"	38.963158
"1555302"	1118.323658	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+K"	38.963158
"314136"	1099.345717	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H+K"	39.970434
"703917"	1639.025967	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H+K"	39.970434
"1455551"	559.665467	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+K"	39.970434
"249629"	2200.754826	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+ACN+H"	42.033826
"1223430"	1121.394326	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+ACN+H"	42.033826
"1207311"	561.200801	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+ACN+2H"	43.041102
"199086"	2203.69216	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2Na-H"	44.97116
"641568"	3283.05266	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2Na-H"	44.97116
"1144705"	1124.33166	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2Na-H"	44.97116
"182167"	1102.349718	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2Na"	45.978436
"628308"	1642.029968	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2Na"	45.978436
"1129612"	562.669468	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2Na"	45.978436
"1408757"	375.448737333333	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+2Na"	46.985712
"1440871"	1126.373246	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+HCOOH"	47.012746
"232393"	1107.38274	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+3H2O+2H"	56.04448
"1521549"	1140.42529	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+IsoProp+H"	61.06479
"423060"	1110.336688	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+Na+K"	61.952376
"784420"	1650.016938	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+Na+K"	61.952376
"1675648"	570.656438	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na+K"	61.952376
"262168"	2222.736768	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+ACN+Na"	64.015768
"1241068"	1143.376268	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+ACN+Na"	64.015768
"1722306"	1143.399793	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+NH4+HCOOH"	64.039293
"1191309"	382.776051333333	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+3Na"	68.967654
"1665501"	1148.355188	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na+HCOOH"	68.994688
"171345"	2235.64004	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2K-H"	76.91904
"611757"	3315.00054	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2K-H"	76.91904
"1096511"	1156.27954	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2K-H"	76.91904
"148952"	1118.323658	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2K"	77.926316
"586326"	1658.003908	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2K"	77.926316
"1074118"	578.643408	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2K"	77.926316
"1109514"	1158.294092	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2K+H"	78.933592
"1349562"	1158.381707	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+DMSO+H"	79.021207
"1018820"	1162.420876	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2ACN+H"	83.060376
"1525034"	1163.414508	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+IsoProp+Na+H"	84.054008
"990389"	581.714076	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2ACN+2H"	84.067652
"1599355"	1164.329128	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+K+HCOOH"	84.968628
"1422460"	1194.360638	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+CF3COOH"	115.000138
"1154936"	602.227351	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+3ACN+2H"	125.094202
"1711412"	1211.387185	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+NH4+CF3COOH"	132.026685
"1648520"	1216.34258	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na+CF3COOH"	136.98208
"1577972"	1232.31652	"C16166"	"(7Z10Z13Z16Z19Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+K+CF3COOH"	152.95602
"807246"	1107.3918	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M"	0
"978591"	1088.37341	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H2O-H"	-19.01839
"78403"	737.253924	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-3H"	-3.021828
"517218"	1106.384524	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-3H"	-3.021828
"894656"	368.123324	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-3H"	-3.021828
"14083"	1106.384524	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H"	-2.014552
"454739"	1660.080424	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H"	-2.014552
"832177"	552.688624	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H"	-2.014552
"91071"	2213.776324	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-H"	-1.007276
"529175"	3321.168124	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-H"	-1.007276
"901877"	1106.384524	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H"	-1.007276
"54064"	2230.802871	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H+NH4"	16.019271
"496903"	3338.194671	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H+NH4"	16.019271
"876890"	1123.411071	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H+NH4"	16.019271
"42610"	2235.758266	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H+Na"	20.974666
"479982"	3343.150066	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H+Na"	20.974666
"856690"	1128.366466	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H+Na"	20.974666
"1632787"	1128.366466	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na-2H"	20.974666
"109726"	1124.372863	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-H+Cl"	33.962126
"548755"	1678.068763	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-H+Cl"	33.962126
"941543"	570.676963	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+Cl"	33.962126
"282170"	2249.753002	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Cl"	34.969402
"674464"	3357.144802	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+Cl"	34.969402
"1285774"	1142.361202	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl"	34.969402
"28331"	2251.732206	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H+K"	36.948606
"466797"	3359.124006	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H+K"	36.948606
"843506"	1144.340406	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H+K"	36.948606
"1569182"	1144.340406	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K-2H"	36.948606
"955605"	1152.389994	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+HCOOH"	44.998194
"374549"	2259.781801	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+HCOOH-H"	44.998201
"356971"	2273.797451	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Hac-H"	59.013851
"1499242"	1166.405651	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Hac-H"	59.013851
"966789"	1174.371951	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+NaCOOH"	66.980151
"124818"	1142.361202	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2Cl"	69.938804
"564014"	1696.057102	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2Cl"	69.938804
"1032812"	588.665302	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2Cl"	69.938804
"1253484"	1186.310685	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Br"	78.918885
"1309370"	1188.366672	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl+HCOOH"	80.974872
"1326865"	1210.348629	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl+NaCOOH"	102.956829
"915738"	1220.377386	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+CF3COOH"	112.985586
"1293541"	1256.354064	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl+CF3COOH"	148.962264
"1378264"	1072.379124	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H-2H2O"	-35.012676
"1394667"	1090.3891	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H-H2O"	-17.0027
"298293"	2215.790876	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H"	1.007276
"691198"	3323.182676	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H"	1.007276
"1366054"	1108.399076	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H"	1.007276
"141233"	1108.399076	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2H"	2.014552
"579954"	1662.094976	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2H"	2.014552
"1050939"	554.703176	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2H"	2.014552
"217748"	739.268476	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+3H"	3.021828
"654028"	1108.399076	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+3H"	3.021828
"1176772"	370.137876	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+3H"	3.021828
"434332"	2232.817423	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+NH4"	18.033823
"798612"	3340.209223	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+NH4"	18.033823
"1694578"	1125.425623	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+NH4"	18.033823
"342127"	1116.9123495	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H+NH4"	19.041099
"735277"	1670.6082495	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H+NH4"	19.041099
"1491287"	563.2164495	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+NH4"	19.041099
"405958"	2237.772818	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Na"	22.989218
"769709"	3345.164618	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+Na"	22.989218
"1617606"	1130.381018	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na"	22.989218
"329672"	1119.390047	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H+Na"	23.996494
"722368"	1673.085947	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H+Na"	23.996494
"1473512"	565.694147	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+Na"	23.996494
"1066759"	377.46519	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2H+Na"	25.00377
"1270258"	1140.425286	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+CH3OH+H"	33.033486
"391387"	2253.746758	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+K"	38.963158
"753474"	3361.138558	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+K"	38.963158
"1548963"	1146.354958	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K"	38.963158
"310512"	1127.377017	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H+K"	39.970434
"697467"	1681.072917	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H+K"	39.970434
"1455661"	573.681117	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+K"	39.970434
"249374"	2256.817426	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+ACN+H"	42.033826
"1220257"	1149.425626	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+ACN+H"	42.033826
"1204139"	575.216451	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+ACN+2H"	43.041102
"198103"	2259.75476	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2Na-H"	44.97116
"640950"	3367.14656	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2Na-H"	44.97116
"1142264"	1152.36296	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2Na-H"	44.97116
"184463"	1130.381018	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2Na"	45.978436
"628258"	1684.076918	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2Na"	45.978436
"1130329"	576.685118	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2Na"	45.978436
"1409595"	384.792504	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+2Na"	46.985712
"1441346"	1154.404546	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+HCOOH"	47.012746
"232501"	1135.41404	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+3H2O+2H"	56.04448
"1520564"	1168.45659	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+IsoProp+H"	61.06479
"420981"	1138.367988	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Na+K"	61.952376
"784167"	1692.063888	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+Na+K"	61.952376
"1676486"	584.672088	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na+K"	61.952376
"262642"	2278.799368	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+ACN+Na"	64.015768
"1240339"	1171.407568	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+ACN+Na"	64.015768
"1727643"	1171.431093	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+NH4+HCOOH"	64.039293
"1190326"	392.119818	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+3Na"	68.967654
"1662406"	1176.386488	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na+HCOOH"	68.994688
"172185"	2291.70264	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2K-H"	76.91904
"611867"	3399.09444	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2K-H"	76.91904
"1096621"	1184.31084	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2K-H"	76.91904
"152342"	1146.354958	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2K"	77.926316
"586436"	1700.050858	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2K"	77.926316
"1077508"	592.659058	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2K"	77.926316
"1109624"	1186.325392	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2K+H"	78.933592
"1347847"	1186.413007	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+DMSO+H"	79.021207
"1018203"	1190.452176	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2ACN+H"	83.060376
"1526483"	1191.445808	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+IsoProp+Na+H"	84.054008
"998035"	595.729726	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2ACN+2H"	84.067652
"1599099"	1192.360428	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K+HCOOH"	84.968628
"1422570"	1222.391938	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+CF3COOH"	115.000138
"1156139"	616.243001	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+3ACN+2H"	125.094202
"1709699"	1239.418485	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+NH4+CF3COOH"	132.026685
"1647900"	1244.37388	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na+CF3COOH"	136.98208
"1578082"	1260.34782	"C16167"	"(9Z12Z15Z18Z21Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K+CF3COOH"	152.95602
"808449"	1105.3762	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M"	0
"978701"	1086.35781	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H2O-H"	-19.01839
"78382"	735.910190666667	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-3H"	-3.021828
"517690"	1104.368924	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-3H"	-3.021828
"894159"	367.451457333333	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-3H"	-3.021828
"15486"	1104.368924	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H"	-2.014552
"455537"	1657.057024	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H"	-2.014552
"832449"	551.680824	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H"	-2.014552
"93371"	2209.745124	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-H"	-1.007276
"530014"	3315.121324	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-H"	-1.007276
"903079"	1104.368924	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H"	-1.007276
"57453"	2226.771671	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H+NH4"	16.019271
"499930"	3332.147871	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H+NH4"	16.019271
"875178"	1121.395471	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H+NH4"	16.019271
"46001"	2231.727066	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H+Na"	20.974666
"487025"	3337.103266	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H+Na"	20.974666
"864059"	1126.350866	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H+Na"	20.974666
"1634117"	1126.350866	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na-2H"	20.974666
"109467"	1122.357263	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-H+Cl"	33.962126
"548623"	1675.045363	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-H+Cl"	33.962126
"941041"	569.669163	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+Cl"	33.962126
"282645"	2245.721802	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Cl"	34.969402
"675063"	3351.098002	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+Cl"	34.969402
"1285885"	1140.345602	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl"	34.969402
"28440"	2247.701006	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H+K"	36.948606
"468002"	3353.077206	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H+K"	36.948606
"846895"	1142.324806	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H+K"	36.948606
"1569292"	1142.324806	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K-2H"	36.948606
"954985"	1150.374394	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+HCOOH"	44.998194
"374291"	2255.750601	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+HCOOH-H"	44.998201
"355988"	2269.766251	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Hac-H"	59.013851
"1496071"	1164.390051	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Hac-H"	59.013851
"969085"	1172.356351	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+NaCOOH"	66.980151
"125171"	1140.345602	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2Cl"	69.938804
"565216"	1693.033702	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2Cl"	69.938804
"1037047"	587.657502	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2Cl"	69.938804
"1254690"	1184.295085	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Br"	78.918885
"1308387"	1186.351072	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl+HCOOH"	80.974872
"1323696"	1208.333029	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl+NaCOOH"	102.956829
"914027"	1218.361786	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+CF3COOH"	112.985586
"1296931"	1254.338464	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl+CF3COOH"	148.962264
"1381169"	1070.363524	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H-2H2O"	-35.012676
"1395870"	1088.3735	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H-H2O"	-17.0027
"298116"	2211.759676	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H"	1.007276
"691350"	3317.135876	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H"	1.007276
"1367018"	1106.383476	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H"	1.007276
"141413"	1106.383476	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2H"	2.014552
"580430"	1659.071576	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2H"	2.014552
"1052025"	553.695376	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2H"	2.014552
"218224"	737.924742666667	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+3H"	3.021828
"656325"	1106.383476	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+3H"	3.021828
"1176638"	369.466009333333	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+3H"	3.021828
"430068"	2228.786223	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+NH4"	18.033823
"799088"	3334.162423	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+NH4"	18.033823
"1695053"	1123.410023	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+NH4"	18.033823
"340048"	1114.8967495	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H+NH4"	19.041099
"737210"	1667.5848495	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H+NH4"	19.041099
"1492630"	562.2086495	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+NH4"	19.041099
"408463"	2233.741618	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Na"	22.989218
"768888"	3339.117818	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+Na"	22.989218
"1618080"	1128.365418	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na"	22.989218
"329697"	1117.374447	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H+Na"	23.996494
"722561"	1670.062547	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H+Na"	23.996494
"1475808"	564.686347	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+Na"	23.996494
"1065776"	376.793323333333	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2H+Na"	25.00377
"1270732"	1138.409686	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+CH3OH+H"	33.033486
"389310"	2249.715558	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+K"	38.963158
"751398"	3355.091758	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+K"	38.963158
"1551989"	1144.339358	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K"	38.963158
"312810"	1125.361417	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H+K"	39.970434
"697577"	1678.049517	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H+K"	39.970434
"1452491"	572.673317	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+K"	39.970434
"250090"	2252.786226	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+ACN+H"	42.033826
"1223283"	1147.410026	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+ACN+H"	42.033826
"1202061"	574.208651	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+ACN+2H"	43.041102
"194933"	2255.72356	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2Na-H"	44.97116
"641060"	3361.09976	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2Na-H"	44.97116
"1142374"	1150.34736	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2Na-H"	44.97116
"186031"	1128.365418	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2Na"	45.978436
"628488"	1681.053518	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2Na"	45.978436
"1129710"	575.677318	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2Na"	45.978436
"1410434"	384.120637333333	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+2Na"	46.985712
"1441456"	1152.388946	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+HCOOH"	47.012746
"232611"	1133.39844	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+3H2O+2H"	56.04448
"1521768"	1166.44099	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+IsoProp+H"	61.06479
"423159"	1136.352388	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Na+K"	61.952376
"785564"	1689.040488	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+Na+K"	61.952376
"1674773"	583.664288	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na+K"	61.952376
"261292"	2274.768168	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+ACN+Na"	64.015768
"1236916"	1169.391968	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+ACN+Na"	64.015768
"1726537"	1169.415493	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+NH4+HCOOH"	64.039293
"1190436"	391.447951333333	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+3Na"	68.967654
"1663609"	1174.370888	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na+HCOOH"	68.994688
"172294"	2287.67144	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2K-H"	76.91904
"611977"	3393.04764	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2K-H"	76.91904
"1098917"	1182.29524	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2K-H"	76.91904
"152452"	1144.339358	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2K"	77.926316
"589826"	1697.027458	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2K"	77.926316
"1077618"	591.651258	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2K"	77.926316
"1106454"	1184.309792	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2K+H"	78.933592
"1350510"	1184.397407	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+DMSO+H"	79.021207
"1019768"	1188.436576	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2ACN+H"	83.060376
"1529510"	1189.430208	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+IsoProp+Na+H"	84.054008
"993042"	594.721926	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2ACN+2H"	84.067652
"1595928"	1190.344828	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K+HCOOH"	84.968628
"1427054"	1220.376338	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+CF3COOH"	115.000138
"1160623"	615.235201	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+3ACN+2H"	125.094202
"1711998"	1237.402885	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+NH4+CF3COOH"	132.026685
"1648012"	1242.35828	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na+CF3COOH"	136.98208
"1578192"	1258.33222	"C16168"	"(6Z9Z12Z15Z18Z21Z)-Tetracosahexaenoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K+CF3COOH"	152.95602
"808559"	1077.3449	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M"	0
"975895"	1058.32651	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-H2O-H"	-19.01839
"77836"	717.222657333333	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M-3H"	-3.021828
"516460"	1076.337624	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M-3H"	-3.021828
"894022"	358.107690666667	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-3H"	-3.021828
"14541"	1076.337624	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M-2H"	-2.014552
"453493"	1615.010074	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M-2H"	-2.014552
"823637"	537.665174	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-2H"	-2.014552
"88007"	2153.682524	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M-H"	-1.007276
"532677"	3231.027424	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M-H"	-1.007276
"909748"	1076.337624	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-H"	-1.007276
"59385"	2170.709071	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M-2H+NH4"	16.019271
"500403"	3248.053971	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M-2H+NH4"	16.019271
"874923"	1093.364171	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-2H+NH4"	16.019271
"45627"	2175.664466	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M-2H+Na"	20.974666
"487024"	3253.009366	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M-2H+Na"	20.974666
"862868"	1098.319566	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-2H+Na"	20.974666
"1634138"	1098.319566	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Na-2H"	20.974666
"109946"	1094.325963	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M-H+Cl"	33.962126
"549462"	1632.998413	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M-H+Cl"	33.962126
"940058"	555.653513	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-H+Cl"	33.962126
"282562"	2189.659202	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+Cl"	34.969402
"675053"	3267.004102	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+Cl"	34.969402
"1287576"	1112.314302	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Cl"	34.969402
"30656"	2191.638406	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M-2H+K"	36.948606
"469935"	3268.983306	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M-2H+K"	36.948606
"848019"	1114.293506	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-2H+K"	36.948606
"1570131"	1114.293506	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+K-2H"	36.948606
"955095"	1122.343094	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-H+HCOOH"	44.998194
"372215"	2199.688001	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+HCOOH-H"	44.998201
"355005"	2213.703651	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+Hac-H"	59.013851
"1495453"	1136.358751	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Hac-H"	59.013851
"970288"	1144.325051	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-H+NaCOOH"	66.980151
"125402"	1112.314302	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+2Cl"	69.938804
"563140"	1650.986752	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+2Cl"	69.938804
"1035219"	573.641852	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2Cl"	69.938804
"1255526"	1156.263785	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Br"	78.918885
"1311777"	1158.319772	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Cl+HCOOH"	80.974872
"1320890"	1180.301729	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Cl+NaCOOH"	102.956829
"914866"	1190.330486	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M-H+CF3COOH"	112.985586
"1294853"	1226.307164	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Cl+CF3COOH"	148.962264
"1375203"	1042.332224	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H-2H2O"	-35.012676
"1395980"	1060.3422	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H-H2O"	-17.0027
"298307"	2155.697076	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+H"	1.007276
"690767"	3233.041976	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+H"	1.007276
"1366273"	1078.352176	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H"	1.007276
"140370"	1078.352176	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+2H"	2.014552
"580790"	1617.024626	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+2H"	2.014552
"1052136"	539.679726	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2H"	2.014552
"218700"	719.237209333333	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+3H"	3.021828
"656434"	1078.352176	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+3H"	3.021828
"1176385"	360.122242666667	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+3H"	3.021828
"434552"	2172.723623	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+NH4"	18.033823
"798832"	3250.068523	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+NH4"	18.033823
"1695163"	1095.378723	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+NH4"	18.033823
"341982"	1086.8654495	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+H+NH4"	19.041099
"737443"	1625.5378995	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+H+NH4"	19.041099
"1491145"	548.1929995	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H+NH4"	19.041099
"407879"	2177.679018	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+Na"	22.989218
"768268"	3255.023918	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+Na"	22.989218
"1617461"	1100.334118	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Na"	22.989218
"329687"	1089.343147	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+H+Na"	23.996494
"720765"	1628.015597	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+H+Na"	23.996494
"1473732"	550.670697	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H+Na"	23.996494
"1064793"	367.449556666667	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2H+Na"	25.00377
"1265376"	1110.378386	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+CH3OH+H"	33.033486
"388327"	2193.652958	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+K"	38.963158
"750415"	3270.997858	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+K"	38.963158
"1552463"	1116.308058	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+K"	38.963158
"307452"	1097.330117	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+H+K"	39.970434
"692584"	1636.002567	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+H+K"	39.970434
"1452601"	558.657667	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H+K"	39.970434
"248138"	2196.723626	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+ACN+H"	42.033826
"1219386"	1119.378726	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+ACN+H"	42.033826
"1206548"	560.193001	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+ACN+2H"	43.041102
"195043"	2199.66096	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+2Na-H"	44.97116
"638983"	3277.00586	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+2Na-H"	44.97116
"1138111"	1122.31606	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2Na-H"	44.97116
"181403"	1100.334118	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+2Na"	45.978436
"626683"	1639.006568	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+2Na"	45.978436
"1129820"	561.661668	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2Na"	45.978436
"1407629"	374.776870666667	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H+2Na"	46.985712
"1441566"	1124.357646	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H+HCOOH"	47.012746
"231262"	1105.36714	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+3H2O+2H"	56.04448
"1520417"	1138.40969	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+IsoProp+H"	61.06479
"421201"	1108.321088	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+Na+K"	61.952376
"782563"	1646.993538	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+Na+K"	61.952376
"1674883"	569.648638	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Na+K"	61.952376
"260309"	2218.705568	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+ACN+Na"	64.015768
"1238485"	1141.360668	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+ACN+Na"	64.015768
"1722998"	1141.384193	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+NH4+HCOOH"	64.039293
"1189453"	382.104184666667	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+3Na"	68.967654
"1661533"	1146.339588	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Na+HCOOH"	68.994688
"171675"	2231.60884	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+2K-H"	76.91904
"610143"	3308.95374	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+2K-H"	76.91904
"1094655"	1154.26394	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2K-H"	76.91904
"151469"	1116.308058	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"2M+2K"	77.926316
"589936"	1654.980508	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"3M+2K"	77.926316
"1077728"	577.635608	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2K"	77.926316
"1106564"	1156.278492	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2K+H"	78.933592
"1350945"	1156.366107	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+DMSO+H"	79.021207
"1020607"	1160.405276	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2ACN+H"	83.060376
"1530714"	1161.398908	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+IsoProp+Na+H"	84.054008
"992788"	580.706276	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+2ACN+2H"	84.067652
"1596038"	1162.313528	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+K+HCOOH"	84.968628
"1423886"	1192.345038	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+H+CF3COOH"	115.000138
"1159641"	601.219551	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+3ACN+2H"	125.094202
"1711743"	1209.371585	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+NH4+CF3COOH"	132.026685
"1648486"	1214.32698	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+Na+CF3COOH"	136.98208
"1578302"	1230.30092	"C16169"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoyl-CoA"	"C43H66N7O17P3S"	"1077.3449"	"M+K+CF3COOH"	152.95602
"808669"	1081.3762	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M"	0
"977827"	1062.35781	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-H2O-H"	-19.01839
"78029"	719.910190666667	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M-3H"	-3.021828
"517663"	1080.368924	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M-3H"	-3.021828
"893281"	359.451457333333	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-3H"	-3.021828
"14652"	1080.368924	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M-2H"	-2.014552
"453967"	1621.057024	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M-2H"	-2.014552
"824840"	539.680824	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-2H"	-2.014552
"89210"	2161.745124	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M-H"	-1.007276
"532912"	3243.121324	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M-H"	-1.007276
"910592"	1080.368924	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-H"	-1.007276
"60469"	2178.771671	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M-2H+NH4"	16.019271
"501612"	3260.147871	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M-2H+NH4"	16.019271
"877832"	1097.395471	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-2H+NH4"	16.019271
"46224"	2183.727066	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M-2H+Na"	20.974666
"486394"	3265.103266	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M-2H+Na"	20.974666
"863792"	1102.350866	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-2H+Na"	20.974666
"1633853"	1102.350866	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Na-2H"	20.974666
"109776"	1098.357263	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M-H+Cl"	33.962126
"549619"	1639.045363	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M-H+Cl"	33.962126
"936157"	557.669163	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-H+Cl"	33.962126
"282705"	2197.721802	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+Cl"	34.969402
"675164"	3279.098002	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+Cl"	34.969402
"1287890"	1116.345602	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Cl"	34.969402
"30486"	2199.701006	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M-2H+K"	36.948606
"470410"	3281.077206	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M-2H+K"	36.948606
"847966"	1118.324806	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-2H+K"	36.948606
"1568417"	1118.324806	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+K-2H"	36.948606
"953018"	1126.374394	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-H+HCOOH"	44.998194
"370138"	2207.750601	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+HCOOH-H"	44.998201
"350741"	2221.766251	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+Hac-H"	59.013851
"1496655"	1140.390051	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Hac-H"	59.013851
"970399"	1148.356351	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-H+NaCOOH"	66.980151
"123688"	1116.345602	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+2Cl"	69.938804
"563855"	1657.033702	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+2Cl"	69.938804
"1030953"	575.657502	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2Cl"	69.938804
"1251623"	1160.295085	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Br"	78.918885
"1309700"	1162.351072	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Cl+HCOOH"	80.974872
"1321728"	1184.333029	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Cl+NaCOOH"	102.956829
"916069"	1194.361786	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M-H+CF3COOH"	112.985586
"1293870"	1230.338464	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Cl+CF3COOH"	148.962264
"1378594"	1046.363524	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H-2H2O"	-35.012676
"1396089"	1064.3735	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H-H2O"	-17.0027
"298094"	2163.759676	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+H"	1.007276
"691044"	3245.135876	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+H"	1.007276
"1366384"	1082.383476	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H"	1.007276
"140238"	1082.383476	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+2H"	2.014552
"580654"	1623.071576	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+2H"	2.014552
"1051763"	541.695376	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2H"	2.014552
"219179"	721.924742666667	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+3H"	3.021828
"655451"	1082.383476	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+3H"	3.021828
"1176983"	361.466009333333	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+3H"	3.021828
"431382"	2180.786223	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+NH4"	18.033823
"799307"	3262.162423	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+NH4"	18.033823
"1691990"	1099.410023	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+NH4"	18.033823
"342821"	1090.8967495	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+H+NH4"	19.041099
"737188"	1631.5848495	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+H+NH4"	19.041099
"1492227"	550.2086495	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H+NH4"	19.041099
"407870"	2185.741618	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+Na"	22.989218
"767652"	3267.117818	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+Na"	22.989218
"1616116"	1104.365418	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Na"	22.989218
"328581"	1093.374447	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+H+Na"	23.996494
"721733"	1634.062547	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+H+Na"	23.996494
"1473843"	552.686347	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H+Na"	23.996494
"1063809"	368.793323333333	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2H+Na"	25.00377
"1267673"	1114.409686	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+CH3OH+H"	33.033486
"389530"	2201.715558	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+K"	38.963158
"748337"	3283.091758	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+K"	38.963158
"1546013"	1120.339358	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+K"	38.963158
"304282"	1101.361417	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+H+K"	39.970434
"695610"	1642.049517	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+H+K"	39.970434
"1450524"	560.673317	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H+K"	39.970434
"245695"	2204.786226	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+ACN+H"	42.033826
"1221682"	1123.410026	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+ACN+H"	42.033826
"1204470"	562.208651	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+ACN+2H"	43.041102
"196246"	2207.72356	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+2Na-H"	44.97116
"639458"	3289.09976	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+2Na-H"	44.97116
"1139314"	1126.34736	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2Na-H"	44.97116
"181513"	1104.365418	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+2Na"	45.978436
"627524"	1645.053518	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+2Na"	45.978436
"1129567"	563.677318	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2Na"	45.978436
"1408103"	376.120637333333	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H+2Na"	46.985712
"1440947"	1128.388946	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H+HCOOH"	47.012746
"231007"	1109.39844	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+3H2O+2H"	56.04448
"1517975"	1142.44099	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+IsoProp+H"	61.06479
"418757"	1112.352388	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+Na+K"	61.952376
"779753"	1653.040488	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+Na+K"	61.952376
"1670620"	571.664288	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Na+K"	61.952376
"259326"	2226.768168	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+ACN+Na"	64.015768
"1230940"	1145.391968	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+ACN+Na"	64.015768
"1723108"	1145.415493	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+NH4+HCOOH"	64.039293
"1193088"	383.447951333333	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+3Na"	68.967654
"1661643"	1150.370888	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Na+HCOOH"	68.994688
"171785"	2239.67144	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+2K-H"	76.91904
"610257"	3321.04764	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+2K-H"	76.91904
"1094762"	1158.29524	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2K-H"	76.91904
"152672"	1120.339358	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"2M+2K"	77.926316
"590046"	1661.027458	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"3M+2K"	77.926316
"1074558"	579.651258	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2K"	77.926316
"1104486"	1160.309792	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2K+H"	78.933592
"1350491"	1160.397407	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+DMSO+H"	79.021207
"1020719"	1164.436576	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2ACN+H"	83.060376
"1527543"	1165.430208	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+IsoProp+Na+H"	84.054008
"996175"	582.721926	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+2ACN+2H"	84.067652
"1595053"	1166.344828	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+K+HCOOH"	84.968628
"1425089"	1196.376338	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+H+CF3COOH"	115.000138
"1159750"	603.235201	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+3ACN+2H"	125.094202
"1711976"	1213.402885	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+NH4+CF3COOH"	132.026685
"1648597"	1218.35828	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+Na+CF3COOH"	136.98208
"1578412"	1234.33222	"C16170"	"(7Z10Z13Z16Z)-Docosatetraenoyl-CoA"	"C43H70N7O17P3S"	"1081.3762"	"M+K+CF3COOH"	152.95602
"808779"	1109.4075	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M"	0
"975751"	1090.38911	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-H2O-H"	-19.01839
"77810"	738.597724	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M-3H"	-3.021828
"517410"	1108.400224	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M-3H"	-3.021828
"893026"	368.795224	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-3H"	-3.021828
"10508"	1108.400224	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M-2H"	-2.014552
"453347"	1663.103974	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M-2H"	-2.014552
"822763"	553.696474	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-2H"	-2.014552
"88226"	2217.807724	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M-H"	-1.007276
"533020"	3327.215224	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M-H"	-1.007276
"910701"	1108.400224	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-H"	-1.007276
"62039"	2234.834271	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M-2H+NH4"	16.019271
"501598"	3344.241771	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M-2H+NH4"	16.019271
"878058"	1125.426771	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-2H+NH4"	16.019271
"46378"	2239.789666	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M-2H+Na"	20.974666
"484434"	3349.197166	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M-2H+Na"	20.974666
"863454"	1130.382166	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-2H+Na"	20.974666
"1633318"	1130.382166	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Na-2H"	20.974666
"109279"	1126.388563	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M-H+Cl"	33.962126
"549078"	1681.092313	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M-H+Cl"	33.962126
"934080"	571.684813	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-H+Cl"	33.962126
"282250"	2253.784402	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+Cl"	34.969402
"674297"	3363.191902	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+Cl"	34.969402
"1287920"	1144.376902	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Cl"	34.969402
"29625"	2255.763606	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M-2H+K"	36.948606
"470644"	3365.171106	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M-2H+K"	36.948606
"845040"	1146.356106	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-2H+K"	36.948606
"1567436"	1146.356106	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+K-2H"	36.948606
"953128"	1154.405694	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-H+HCOOH"	44.998194
"369155"	2263.813201	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+HCOOH-H"	44.998201
"350122"	2277.828851	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+Hac-H"	59.013851
"1496401"	1168.421351	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Hac-H"	59.013851
"968323"	1176.387651	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-H+NaCOOH"	66.980151
"123798"	1144.376902	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+2Cl"	69.938804
"563358"	1699.080652	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+2Cl"	69.938804
"1032886"	589.673152	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2Cl"	69.938804
"1252827"	1188.326385	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Br"	78.918885
"1314184"	1190.382372	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Cl+HCOOH"	80.974872
"1322203"	1212.364329	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Cl+NaCOOH"	102.956829
"912899"	1222.393086	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M-H+CF3COOH"	112.985586
"1293980"	1258.369764	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Cl+CF3COOH"	148.962264
"1378705"	1074.394824	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H-2H2O"	-35.012676
"1396199"	1092.4048	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H-H2O"	-17.0027
"298365"	2219.822276	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+H"	1.007276
"690991"	3329.229776	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+H"	1.007276
"1366577"	1110.414776	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H"	1.007276
"139739"	1110.414776	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+2H"	2.014552
"581094"	1665.118526	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+2H"	2.014552
"1051998"	555.711026	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2H"	2.014552
"218676"	740.612276	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+3H"	3.021828
"655561"	1110.414776	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+3H"	3.021828
"1177578"	370.809776	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+3H"	3.021828
"431491"	2236.848823	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+NH4"	18.033823
"799051"	3346.256323	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+NH4"	18.033823
"1689913"	1127.441323	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+NH4"	18.033823
"342565"	1118.9280495	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+H+NH4"	19.041099
"737539"	1673.6317995	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+H+NH4"	19.041099
"1491978"	564.2242995	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H+NH4"	19.041099
"408222"	2241.804218	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+Na"	22.989218
"768733"	3351.211718	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+Na"	22.989218
"1617562"	1132.396718	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Na"	22.989218
"328938"	1121.405747	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+H+Na"	23.996494
"722568"	1676.109497	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+H+Na"	23.996494
"1473953"	566.701997	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H+Na"	23.996494
"1065012"	378.13709	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2H+Na"	25.00377
"1268875"	1142.440986	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+CH3OH+H"	33.033486
"388545"	2257.778158	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+K"	38.963158
"749539"	3367.185658	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+K"	38.963158
"1545030"	1148.370658	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+K"	38.963158
"301112"	1129.392717	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+H+K"	39.970434
"695720"	1684.096467	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+H+K"	39.970434
"1449905"	574.688967	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H+K"	39.970434
"244711"	2260.848826	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+ACN+H"	42.033826
"1221792"	1151.441326	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+ACN+H"	42.033826
"1203487"	576.224301	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+ACN+2H"	43.041102
"195262"	2263.78616	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+2Na-H"	44.97116
"637011"	3373.19366	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+2Na-H"	44.97116
"1140516"	1154.37866	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2Na-H"	44.97116
"180530"	1132.396718	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+2Na"	45.978436
"626661"	1687.100468	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+2Na"	45.978436
"1129070"	577.692968	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2Na"	45.978436
"1408213"	385.464404	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H+2Na"	46.985712
"1440328"	1156.420246	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H+HCOOH"	47.012746
"230024"	1137.42974	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+3H2O+2H"	56.04448
"1518085"	1170.47229	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+IsoProp+H"	61.06479
"414494"	1140.383688	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+Na+K"	61.952376
"775489"	1695.087438	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+Na+K"	61.952376
"1670729"	585.679938	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Na+K"	61.952376
"253969"	2282.830768	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+ACN+Na"	64.015768
"1228131"	1173.423268	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+ACN+Na"	64.015768
"1723218"	1173.446793	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+NH4+HCOOH"	64.039293
"1190767"	392.791718	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+3Na"	68.967654
"1661753"	1178.402188	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Na+HCOOH"	68.994688
"171653"	2295.73404	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+2K-H"	76.91904
"608174"	3405.14154	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+2K-H"	76.91904
"1094872"	1186.32654	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2K-H"	76.91904
"152782"	1148.370658	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"2M+2K"	77.926316
"584688"	1703.074408	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"3M+2K"	77.926316
"1074668"	593.666908	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2K"	77.926316
"1104596"	1188.341092	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2K+H"	78.933592
"1347917"	1188.428707	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+DMSO+H"	79.021207
"1016081"	1192.467876	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2ACN+H"	83.060376
"1530934"	1193.461508	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+IsoProp+Na+H"	84.054008
"994101"	596.737576	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+2ACN+2H"	84.067652
"1592978"	1194.376128	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+K+HCOOH"	84.968628
"1425198"	1224.407638	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+H+CF3COOH"	115.000138
"1160955"	617.250851	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+3ACN+2H"	125.094202
"1712208"	1241.434185	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+NH4+CF3COOH"	132.026685
"1649315"	1246.38958	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+Na+CF3COOH"	136.98208
"1578522"	1262.36352	"C16171"	"(9Z12Z15Z18Z)-Tetracosatetraenoyl-CoA"	"C45H74N7O17P3S"	"1109.4075"	"M+K+CF3COOH"	152.95602
"808889"	1107.3918	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M"	0
"983516"	1088.37341	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H2O-H"	-19.01839
"77960"	737.253924	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-3H"	-3.021828
"517764"	1106.384524	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-3H"	-3.021828
"894108"	368.123324	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-3H"	-3.021828
"13170"	1106.384524	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H"	-2.014552
"452364"	1660.080424	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H"	-2.014552
"827247"	552.688624	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H"	-2.014552
"87972"	2213.776324	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-H"	-1.007276
"534102"	3321.168124	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-H"	-1.007276
"910690"	1106.384524	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H"	-1.007276
"62271"	2230.802871	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H+NH4"	16.019271
"499640"	3338.194671	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H+NH4"	16.019271
"877076"	1123.411071	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H+NH4"	16.019271
"46891"	2235.758266	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H+Na"	20.974666
"486368"	3343.150066	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H+Na"	20.974666
"864014"	1128.366466	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H+Na"	20.974666
"1633915"	1128.366466	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na-2H"	20.974666
"109755"	1124.372863	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-H+Cl"	33.962126
"549349"	1678.068763	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-H+Cl"	33.962126
"935283"	570.676963	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+Cl"	33.962126
"281255"	2249.753002	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Cl"	34.969402
"675305"	3357.144802	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+Cl"	34.969402
"1283041"	1142.361202	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl"	34.969402
"30584"	2251.732206	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M-2H+K"	36.948606
"470993"	3359.124006	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M-2H+K"	36.948606
"845147"	1144.340406	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-2H+K"	36.948606
"1566451"	1144.340406	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K-2H"	36.948606
"951052"	1152.389994	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+HCOOH"	44.998194
"371088"	2259.781801	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+HCOOH-H"	44.998201
"349137"	2273.797451	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Hac-H"	59.013851
"1496511"	1166.405651	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Hac-H"	59.013851
"967338"	1174.371951	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+NaCOOH"	66.980151
"122446"	1142.361202	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2Cl"	69.938804
"562010"	1696.057102	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2Cl"	69.938804
"1031172"	588.665302	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2Cl"	69.938804
"1248564"	1186.310685	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Br"	78.918885
"1307733"	1188.366672	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl+HCOOH"	80.974872
"1323042"	1210.348629	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl+NaCOOH"	102.956829
"915195"	1220.377386	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M-H+CF3COOH"	112.985586
"1290809"	1256.354064	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Cl+CF3COOH"	148.962264
"1377721"	1072.379124	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H-2H2O"	-35.012676
"1389749"	1090.3891	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H-H2O"	-17.0027
"294904"	2215.790876	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H"	1.007276
"690933"	3323.182676	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H"	1.007276
"1366958"	1108.399076	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H"	1.007276
"139848"	1108.399076	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2H"	2.014552
"580869"	1662.094976	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2H"	2.014552
"1051490"	554.703176	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2H"	2.014552
"217204"	739.268476	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+3H"	3.021828
"654576"	1108.399076	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+3H"	3.021828
"1175986"	370.137876	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+3H"	3.021828
"431600"	2232.817423	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+NH4"	18.033823
"800133"	3340.209223	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+NH4"	18.033823
"1690023"	1125.425623	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+NH4"	18.033823
"338301"	1116.9123495	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H+NH4"	19.041099
"732910"	1670.6082495	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H+NH4"	19.041099
"1492728"	563.2164495	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+NH4"	19.041099
"408455"	2237.772818	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Na"	22.989218
"769328"	3345.164618	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+Na"	22.989218
"1617427"	1130.381018	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na"	22.989218
"329817"	1119.390047	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H+Na"	23.996494
"722769"	1673.085947	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H+Na"	23.996494
"1476738"	565.694147	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+Na"	23.996494
"1065122"	377.46519	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2H+Na"	25.00377
"1271175"	1140.425286	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+CH3OH+H"	33.033486
"387562"	2253.746758	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+K"	38.963158
"749648"	3361.138558	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+K"	38.963158
"1552795"	1146.354958	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K"	38.963158
"304503"	1127.377017	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+H+K"	39.970434
"696923"	1681.072917	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+H+K"	39.970434
"1451837"	573.681117	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+K"	39.970434
"244823"	2256.817426	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+ACN+H"	42.033826
"1219718"	1149.425626	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+ACN+H"	42.033826
"1204692"	575.216451	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+ACN+2H"	43.041102
"195375"	2259.75476	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2Na-H"	44.97116
"642226"	3367.14656	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2Na-H"	44.97116
"1141719"	1152.36296	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2Na-H"	44.97116
"181733"	1130.381018	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2Na"	45.978436
"626766"	1684.076918	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2Na"	45.978436
"1129544"	576.685118	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2Na"	45.978436
"1408323"	384.792504	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+2Na"	46.985712
"1441531"	1154.404546	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+HCOOH"	47.012746
"232320"	1135.41404	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+3H2O+2H"	56.04448
"1521475"	1168.45659	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+IsoProp+H"	61.06479
"415698"	1138.367988	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+Na+K"	61.952376
"781066"	1692.063888	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+Na+K"	61.952376
"1667559"	584.672088	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na+K"	61.952376
"260641"	2278.799368	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+ACN+Na"	64.015768
"1232255"	1171.407568	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+ACN+Na"	64.015768
"1726245"	1171.431093	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+NH4+HCOOH"	64.039293
"1189784"	392.119818	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+3Na"	68.967654
"1660770"	1176.386488	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na+HCOOH"	68.994688
"171884"	2291.70264	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2K-H"	76.91904
"605002"	3399.09444	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2K-H"	76.91904
"1094982"	1184.31084	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2K-H"	76.91904
"152892"	1146.354958	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"2M+2K"	77.926316
"584798"	1700.050858	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"3M+2K"	77.926316
"1074778"	592.659058	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2K"	77.926316
"1103247"	1186.325392	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2K+H"	78.933592
"1348391"	1186.413007	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+DMSO+H"	79.021207
"1016191"	1190.452176	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2ACN+H"	83.060376
"1531044"	1191.445808	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+IsoProp+Na+H"	84.054008
"995304"	595.729726	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+2ACN+2H"	84.067652
"1594180"	1192.360428	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K+HCOOH"	84.968628
"1428225"	1222.391938	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+H+CF3COOH"	115.000138
"1161795"	616.243001	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+3ACN+2H"	125.094202
"1711832"	1239.418485	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+NH4+CF3COOH"	132.026685
"1646262"	1244.37388	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+Na+CF3COOH"	136.98208
"1578632"	1260.34782	"C16172"	"(6Z9Z12Z15Z18Z)-Tetracosapentaenoyl-CoA"	"C45H72N7O17P3S"	"1107.3918"	"M+K+CF3COOH"	152.95602
"808999"	1079.3605	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M"	0
"978157"	1060.34211	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-H2O-H"	-19.01839
"68583"	718.566390666667	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-3H"	-3.021828
"517630"	1078.353224	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-3H"	-3.021828
"892517"	358.779557333333	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-3H"	-3.021828
"12552"	1078.353224	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-2H"	-2.014552
"452474"	1618.033474	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-2H"	-2.014552
"829543"	538.672974	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-2H"	-2.014552
"87352"	2157.713724	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-H"	-1.007276
"532997"	3237.074224	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-H"	-1.007276
"911004"	1078.353224	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-H"	-1.007276
"62180"	2174.740271	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-2H+NH4"	16.019271
"501208"	3254.100771	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-2H+NH4"	16.019271
"877185"	1095.379771	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-2H+NH4"	16.019271
"46634"	2179.695666	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-2H+Na"	20.974666
"481737"	3259.056166	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-2H+Na"	20.974666
"863791"	1100.335166	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-2H+Na"	20.974666
"1633855"	1100.335166	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na-2H"	20.974666
"109451"	1096.341563	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-H+Cl"	33.962126
"547350"	1636.021813	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-H+Cl"	33.962126
"937579"	556.661313	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-H+Cl"	33.962126
"281852"	2193.690402	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+Cl"	34.969402
"675636"	3273.050902	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+Cl"	34.969402
"1284244"	1114.329902	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Cl"	34.969402
"31142"	2195.669606	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M-2H+K"	36.948606
"471326"	3275.030106	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M-2H+K"	36.948606
"846350"	1116.309106	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-2H+K"	36.948606
"1566560"	1116.309106	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+K-2H"	36.948606
"952255"	1124.358694	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-H+HCOOH"	44.998194
"370105"	2203.719201	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+HCOOH-H"	44.998201
"346695"	2217.734851	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+Hac-H"	59.013851
"1496621"	1138.374351	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Hac-H"	59.013851
"970727"	1146.340651	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-H+NaCOOH"	66.980151
"122556"	1114.329902	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2Cl"	69.938804
"561391"	1654.010152	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2Cl"	69.938804
"1032376"	574.649652	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2Cl"	69.938804
"1249768"	1158.279385	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Br"	78.918885
"1308937"	1160.335372	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Cl+HCOOH"	80.974872
"1320965"	1182.317329	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Cl+NaCOOH"	102.956829
"911530"	1192.346086	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M-H+CF3COOH"	112.985586
"1290553"	1228.322764	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Cl+CF3COOH"	148.962264
"1372363"	1044.347824	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H-2H2O"	-35.012676
"1386577"	1062.3578	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H-H2O"	-17.0027
"292826"	2159.728276	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H"	1.007276
"687433"	3239.088776	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H"	1.007276
"1366342"	1080.367776	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H"	1.007276
"141215"	1080.367776	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2H"	2.014552
"580248"	1620.048026	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2H"	2.014552
"1050507"	540.687526	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2H"	2.014552
"216586"	720.580942666667	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+3H"	3.021828
"654686"	1080.367776	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+3H"	3.021828
"1173909"	360.794109333333	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+3H"	3.021828
"432803"	2176.754823	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+NH4"	18.033823
"795989"	3256.115323	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+NH4"	18.033823
"1690132"	1097.394323	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+NH4"	18.033823
"337318"	1088.8810495	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H+NH4"	19.041099
"733020"	1628.5612995	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H+NH4"	19.041099
"1489029"	549.2007995	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+NH4"	19.041099
"404430"	2181.710218	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+Na"	22.989218
"764335"	3261.070718	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+Na"	22.989218
"1614619"	1102.349718	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na"	22.989218
"325747"	1091.358747	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H+Na"	23.996494
"721205"	1631.038997	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H+Na"	23.996494
"1476120"	551.678497	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+Na"	23.996494
"1064138"	368.121423333333	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2H+Na"	25.00377
"1268004"	1112.393986	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+CH3OH+H"	33.033486
"389856"	2197.684158	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+K"	38.963158
"746478"	3277.044658	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+K"	38.963158
"1548531"	1118.323658	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+K"	38.963158
"301695"	1099.345717	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+H+K"	39.970434
"694116"	1639.025967	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+H+K"	39.970434
"1450853"	559.665467	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+K"	39.970434
"244931"	2200.754826	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+ACN+H"	42.033826
"1219827"	1121.394326	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+ACN+H"	42.033826
"1204800"	561.200801	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+ACN+2H"	43.041102
"198761"	2203.69216	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2Na-H"	44.97116
"638323"	3283.05266	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2Na-H"	44.97116
"1139642"	1124.33166	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2Na-H"	44.97116
"175276"	1102.349718	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2Na"	45.978436
"620312"	1642.029968	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2Na"	45.978436
"1128191"	562.669468	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2Na"	45.978436
"1410619"	375.448737333333	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+2Na"	46.985712
"1440547"	1126.373246	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+HCOOH"	47.012746
"231337"	1107.38274	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+3H2O+2H"	56.04448
"1519398"	1140.42529	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+IsoProp+H"	61.06479
"411798"	1110.336688	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+Na+K"	61.952376
"774616"	1650.016938	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+Na+K"	61.952376
"1668033"	570.656438	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na+K"	61.952376
"260751"	2222.736768	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+ACN+Na"	64.015768
"1226898"	1143.376268	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+ACN+Na"	64.015768
"1716507"	1143.399793	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+NH4+HCOOH"	64.039293
"1190987"	382.776051333333	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+3Na"	68.967654
"1661973"	1148.355188	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na+HCOOH"	68.994688
"172360"	2235.64004	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2K-H"	76.91904
"606206"	3315.00054	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2K-H"	76.91904
"1096185"	1156.27954	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2K-H"	76.91904
"156161"	1118.323658	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"2M+2K"	77.926316
"586001"	1658.003908	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"3M+2K"	77.926316
"1074888"	578.643408	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2K"	77.926316
"1104816"	1158.294092	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2K+H"	78.933592
"1346679"	1158.381707	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+DMSO+H"	79.021207
"1016301"	1162.420876	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2ACN+H"	83.060376
"1530061"	1163.414508	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+IsoProp+Na+H"	84.054008
"993228"	581.714076	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+2ACN+2H"	84.067652
"1594290"	1164.329128	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+K+HCOOH"	84.968628
"1427242"	1194.360638	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+H+CF3COOH"	115.000138
"1162391"	602.227351	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+3ACN+2H"	125.094202
"1711699"	1211.387185	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+NH4+CF3COOH"	132.026685
"1646372"	1216.34258	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+Na+CF3COOH"	136.98208
"1578742"	1232.31652	"C16173"	"(4Z7Z10Z13Z16Z)-Docosapentaenoyl-CoA"	"C43H68N7O17P3S"	"1079.3605"	"M+K+CF3COOH"	152.95602
"816528"	1055.3605	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M"	0
"988846"	1036.34211	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H2O-H"	-19.01839
"77451"	702.566390666667	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-3H"	-3.021828
"516647"	1054.353224	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-3H"	-3.021828
"894087"	350.779557333333	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-3H"	-3.021828
"10108"	1054.353224	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H"	-2.014552
"448574"	1582.033474	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H"	-2.014552
"831727"	526.672974	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H"	-2.014552
"93665"	2109.713724	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-H"	-1.007276
"530307"	3165.074224	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-H"	-1.007276
"908843"	1054.353224	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H"	-1.007276
"61155"	2126.740271	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+NH4"	16.019271
"499866"	3182.100771	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+NH4"	16.019271
"876574"	1071.379771	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+NH4"	16.019271
"44474"	2131.695666	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+Na"	20.974666
"486987"	3187.056166	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+Na"	20.974666
"863296"	1076.335166	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+Na"	20.974666
"1633194"	1076.335166	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na-2H"	20.974666
"109444"	1072.341563	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-H+Cl"	33.962126
"549780"	1600.021813	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-H+Cl"	33.962126
"942437"	544.661313	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+Cl"	33.962126
"280629"	2145.690402	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Cl"	34.969402
"673660"	3201.050902	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Cl"	34.969402
"1287033"	1090.329902	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl"	34.969402
"29953"	2147.669606	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+K"	36.948606
"470367"	3203.030106	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+K"	36.948606
"847439"	1092.309106	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+K"	36.948606
"1566670"	1092.309106	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K-2H"	36.948606
"957478"	1100.358694	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+HCOOH"	44.998194
"375694"	2155.719201	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+HCOOH-H"	44.998201
"360431"	2169.734851	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Hac-H"	59.013851
"1505131"	1114.374351	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Hac-H"	59.013851
"963194"	1122.340651	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+NaCOOH"	66.980151
"116474"	1090.329902	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Cl"	69.938804
"550685"	1618.010152	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Cl"	69.938804
"1030302"	562.649652	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Cl"	69.938804
"1247694"	1134.279385	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Br"	78.918885
"1313423"	1136.335372	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+HCOOH"	80.974872
"1323265"	1158.317329	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+NaCOOH"	102.956829
"913228"	1168.346086	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+CF3COOH"	112.985586
"1302699"	1204.322764	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+CF3COOH"	148.962264
"1382210"	1020.347824	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H-2H2O"	-35.012676
"1398004"	1038.3578	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H-H2O"	-17.0027
"297320"	2111.728276	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H"	1.007276
"688650"	3167.088776	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H"	1.007276
"1366092"	1056.367776	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H"	1.007276
"140441"	1056.367776	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2H"	2.014552
"580730"	1584.048026	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2H"	2.014552
"1052082"	528.687526	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2H"	2.014552
"216340"	704.580942666667	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+3H"	3.021828
"655898"	1056.367776	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+3H"	3.021828
"1176206"	352.794109333333	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3H"	3.021828
"438023"	2128.754823	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+NH4"	18.033823
"799021"	3184.115323	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+NH4"	18.033823
"1693528"	1073.394323	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4"	18.033823
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"736413"	1592.5612995	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+NH4"	19.041099
"1490232"	537.2007995	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+NH4"	19.041099
"405630"	2133.710218	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Na"	22.989218
"765535"	3189.070718	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Na"	22.989218
"1614728"	1078.349718	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na"	22.989218
"328044"	1067.358747	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+Na"	23.996494
"720343"	1595.038997	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+Na"	23.996494
"1471003"	539.678497	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+Na"	23.996494
"1060970"	360.121423333333	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2H+Na"	25.00377
"1272583"	1088.393986	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+CH3OH+H"	33.033486
"392364"	2149.684158	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+K"	38.963158
"753156"	3205.044658	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+K"	38.963158
"1554848"	1094.323658	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K"	38.963158
"313120"	1075.345717	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+K"	39.970434
"706269"	1603.025967	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+K"	39.970434
"1455346"	547.665467	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+K"	39.970434
"241759"	2152.754826	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+ACN+H"	42.033826
"1221761"	1097.394326	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+H"	42.033826
"1205643"	549.200801	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+2H"	43.041102
"204201"	2155.69216	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Na-H"	44.97116
"644087"	3211.05266	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Na-H"	44.97116
"1144504"	1100.33166	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Na-H"	44.97116
"185238"	1078.349718	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Na"	45.978436
"623706"	1606.029968	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Na"	45.978436
"1122838"	550.669468	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Na"	45.978436
"1412195"	367.448737333333	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+2Na"	46.985712
"1438478"	1102.373246	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+HCOOH"	47.012746
"229268"	1083.38274	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+3H2O+2H"	56.04448
"1522071"	1116.42529	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+IsoProp+H"	61.06479
"423825"	1086.336688	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Na+K"	61.952376
"784212"	1614.016938	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Na+K"	61.952376
"1681206"	558.656438	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+K"	61.952376
"266956"	2174.736768	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+ACN+Na"	64.015768
"1240512"	1119.376268	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+Na"	64.015768
"1727457"	1119.399793	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4+HCOOH"	64.039293
"1193301"	374.776051333333	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3Na"	68.967654
"1664770"	1124.355188	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+HCOOH"	68.994688
"172118"	2187.64004	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2K-H"	76.91904
"612159"	3243.00054	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2K-H"	76.91904
"1097763"	1132.27954	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K-H"	76.91904
"152036"	1094.323658	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2K"	77.926316
"590503"	1622.003908	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2K"	77.926316
"1071730"	566.643408	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K"	77.926316
"1101291"	1134.294092	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K+H"	78.933592
"1341324"	1134.381707	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+DMSO+H"	79.021207
"1007666"	1138.420876	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2ACN+H"	83.060376
"1526886"	1139.414508	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+IsoProp+Na+H"	84.054008
"994431"	569.714076	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2ACN+2H"	84.067652
"1594401"	1140.329128	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K+HCOOH"	84.968628
"1425527"	1170.360638	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+CF3COOH"	115.000138
"1159096"	590.227351	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3ACN+2H"	125.094202
"1704273"	1187.387185	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4+CF3COOH"	132.026685
"1643205"	1192.34258	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+CF3COOH"	136.98208
"1579948"	1208.31652	"C16179"	"(11Z14Z17Z)-Icosatrienoyl-CoA;(11Z14Z17Z)-Icosa-111417-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K+CF3COOH"	152.95602
"802660"	1057.3762	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M"	0
"984942"	1038.35781	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-H2O-H"	-19.01839
"77198"	703.910190666667	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M-3H"	-3.021828
"511655"	1056.368924	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M-3H"	-3.021828
"886174"	351.451457333333	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-3H"	-3.021828
"12407"	1056.368924	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M-2H"	-2.014552
"452699"	1585.057024	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M-2H"	-2.014552
"828313"	527.680824	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-2H"	-2.014552
"91587"	2113.745124	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M-H"	-1.007276
"526040"	3171.121324	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M-H"	-1.007276
"906035"	1056.368924	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-H"	-1.007276
"53850"	2130.771671	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M-2H+NH4"	16.019271
"494504"	3188.147871	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M-2H+NH4"	16.019271
"872305"	1073.395471	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-2H+NH4"	16.019271
"41300"	2135.727066	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M-2H+Na"	20.974666
"479766"	3193.103266	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M-2H+Na"	20.974666
"854287"	1078.350866	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-2H+Na"	20.974666
"1628195"	1078.350866	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Na-2H"	20.974666
"105820"	1074.357263	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M-H+Cl"	33.962126
"543192"	1603.045363	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M-H+Cl"	33.962126
"932332"	545.669163	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-H+Cl"	33.962126
"278546"	2149.721802	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+Cl"	34.969402
"673885"	3207.098002	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+Cl"	34.969402
"1285558"	1092.345602	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Cl"	34.969402
"30062"	2151.701006	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M-2H+K"	36.948606
"470234"	3209.077206	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M-2H+K"	36.948606
"845482"	1094.324806	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-2H+K"	36.948606
"1563500"	1094.324806	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+K-2H"	36.948606
"956857"	1102.374394	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-H+HCOOH"	44.998194
"375805"	2159.750601	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+HCOOH-H"	44.998201
"360054"	2173.766251	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+Hac-H"	59.013851
"1505970"	1116.390051	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Hac-H"	59.013851
"963304"	1124.356351	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-H+NaCOOH"	66.980151
"115491"	1092.345602	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+2Cl"	69.938804
"549976"	1621.033702	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+2Cl"	69.938804
"1029319"	563.657502	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2Cl"	69.938804
"1246711"	1136.295085	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Br"	78.918885
"1311347"	1138.351072	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Cl+HCOOH"	80.974872
"1323375"	1160.333029	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Cl+NaCOOH"	102.956829
"914431"	1170.361786	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M-H+CF3COOH"	112.985586
"1302445"	1206.338464	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Cl+CF3COOH"	148.962264
"1382434"	1022.363524	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H-2H2O"	-35.012676
"1393369"	1040.3735	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H-H2O"	-17.0027
"287954"	2115.759676	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+H"	1.007276
"690580"	3173.135876	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+H"	1.007276
"1364742"	1058.383476	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H"	1.007276
"139820"	1058.383476	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+2H"	2.014552
"580355"	1587.071576	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+2H"	2.014552
"1049640"	529.695376	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2H"	2.014552
"214263"	705.924742666667	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+3H"	3.021828
"658197"	1058.383476	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+3H"	3.021828
"1176685"	353.466009333333	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+3H"	3.021828
"438863"	2132.786223	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+NH4"	18.033823
"798403"	3190.162423	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+NH4"	18.033823
"1694734"	1075.410023	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+NH4"	18.033823
"341914"	1066.8967495	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+H+NH4"	19.041099
"735430"	1595.5848495	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+H+NH4"	19.041099
"1491072"	538.2086495	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H+NH4"	19.041099
"403553"	2137.741618	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+Na"	22.989218
"767103"	3195.117818	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+Na"	22.989218
"1616296"	1080.365418	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Na"	22.989218
"328521"	1069.374447	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+H+Na"	23.996494
"719481"	1598.062547	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+H+Na"	23.996494
"1475003"	540.686347	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H+Na"	23.996494
"1063996"	360.793323333333	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2H+Na"	25.00377
"1271145"	1090.409686	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+CH3OH+H"	33.033486
"391185"	2153.715558	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+K"	38.963158
"753633"	3211.091758	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+K"	38.963158
"1554839"	1096.339358	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+K"	38.963158
"311406"	1077.361417	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+H+K"	39.970434
"706015"	1606.049517	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+H+K"	39.970434
"1456915"	548.673317	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H+K"	39.970434
"242963"	2156.786226	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+ACN+H"	42.033826
"1221871"	1099.410026	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+ACN+H"	42.033826
"1204660"	550.208651	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+ACN+2H"	43.041102
"203981"	2159.72356	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+2Na-H"	44.97116
"642203"	3217.09976	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+2Na-H"	44.97116
"1144856"	1102.34736	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2Na-H"	44.97116
"180975"	1080.365418	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+2Na"	45.978436
"619443"	1609.053518	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+2Na"	45.978436
"1121855"	551.677318	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2Na"	45.978436
"1411577"	368.120637333333	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H+2Na"	46.985712
"1441870"	1104.388946	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H+HCOOH"	47.012746
"229378"	1085.39844	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+3H2O+2H"	56.04448
"1521452"	1118.44099	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+IsoProp+H"	61.06479
"418221"	1088.352388	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+Na+K"	61.952376
"783593"	1617.040488	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+Na+K"	61.952376
"1679940"	559.664288	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Na+K"	61.952376
"266782"	2178.768168	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+ACN+Na"	64.015768
"1238072"	1121.391968	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+ACN+Na"	64.015768
"1728096"	1121.415493	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+NH4+HCOOH"	64.039293
"1193044"	375.447951333333	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+3Na"	68.967654
"1663302"	1126.370888	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Na+HCOOH"	68.994688
"170526"	2191.67144	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+2K-H"	76.91904
"611178"	3249.04764	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+2K-H"	76.91904
"1096051"	1134.29524	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2K-H"	76.91904
"152147"	1096.339358	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"2M+2K"	77.926316
"592800"	1625.027458	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"3M+2K"	77.926316
"1070747"	567.651258	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2K"	77.926316
"1100670"	1136.309792	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2K+H"	78.933592
"1337423"	1136.397407	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+DMSO+H"	79.021207
"1013244"	1140.436576	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2ACN+H"	83.060376
"1530278"	1141.430208	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+IsoProp+Na+H"	84.054008
"997820"	570.721926	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+2ACN+2H"	84.067652
"1597789"	1142.344828	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+K+HCOOH"	84.968628
"1425637"	1172.376338	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+H+CF3COOH"	115.000138
"1155923"	591.235201	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+3ACN+2H"	125.094202
"1706570"	1189.402885	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+NH4+CF3COOH"	132.026685
"1644408"	1194.35828	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+Na+CF3COOH"	136.98208
"1578965"	1210.33222	"C16180"	"(11Z14Z)-Icosadienoyl-CoA;(11Z14Z)-Icosa-1114-dienoyl-CoA"	"C41H70N7O17P3S"	"1057.3762"	"M+K+CF3COOH"	152.95602
"803133"	269.894	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M"	0
"985052"	250.87561	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-H2O-H"	-19.01839
"76457"	178.922057333333	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M-3H"	-3.021828
"511765"	268.886724	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M-3H"	-3.021828
"887377"	88.9573906666667	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-3H"	-3.021828
"12516"	268.886724	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M-2H"	-2.014552
"449890"	403.833724	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M-2H"	-2.014552
"828422"	133.939724	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-2H"	-2.014552
"92791"	538.780724	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M-H"	-1.007276
"526150"	808.674724	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M-H"	-1.007276
"907969"	268.886724	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-H"	-1.007276
"58335"	555.807271	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M-2H+NH4"	16.019271
"496437"	825.701271	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M-2H+NH4"	16.019271
"873144"	285.913271	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-2H+NH4"	16.019271
"40317"	560.762666	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M-2H+Na"	20.974666
"479876"	830.656666	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M-2H+Na"	20.974666
"854397"	290.868666	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-2H+Na"	20.974666
"1628305"	290.868666	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Na-2H"	20.974666
"107023"	286.875063	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M-H+Cl"	33.962126
"544395"	421.822063	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M-H+Cl"	33.962126
"932806"	151.928063	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-H+Cl"	33.962126
"278656"	574.757402	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+Cl"	34.969402
"673145"	844.651402	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+Cl"	34.969402
"1285668"	304.863402	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Cl"	34.969402
"26766"	576.736606	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M-2H+K"	36.948606
"469613"	846.630606	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M-2H+K"	36.948606
"845591"	306.842606	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-2H+K"	36.948606
"1563609"	306.842606	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+K-2H"	36.948606
"950403"	314.892194	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-H+HCOOH"	44.998194
"376280"	584.786201	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+HCOOH-H"	44.998201
"360529"	598.801851	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+Hac-H"	59.013851
"1504258"	328.907851	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Hac-H"	59.013851
"966694"	336.874151	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-H+NaCOOH"	66.980151
"118881"	304.863402	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+2Cl"	69.938804
"556253"	439.810402	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+2Cl"	69.938804
"1029430"	169.916402	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2Cl"	69.938804
"1250101"	348.812885	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Br"	78.918885
"1311457"	350.868872	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Cl+HCOOH"	80.974872
"1326765"	372.850829	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Cl+NaCOOH"	102.956829
"916729"	382.879586	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M-H+CF3COOH"	112.985586
"1294535"	418.856264	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Cl+CF3COOH"	148.962264
"1373790"	234.881324	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H-2H2O"	-35.012676
"1394568"	252.8913	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H-H2O"	-17.0027
"296809"	540.795276	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+H"	1.007276
"688503"	810.689276	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+H"	1.007276
"1364125"	270.901276	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H"	1.007276
"138109"	270.901276	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+2H"	2.014552
"578763"	405.848276	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+2H"	2.014552
"1049751"	135.954276	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2H"	2.014552
"217654"	180.936609333333	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+3H"	3.021828
"657944"	270.901276	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+3H"	3.021828
"1177523"	90.9719426666667	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+3H"	3.021828
"436420"	557.821823	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+NH4"	18.033823
"797419"	827.715823	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+NH4"	18.033823
"1694844"	287.927823	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+NH4"	18.033823
"343117"	279.4145495	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+H+NH4"	19.041099
"736633"	414.3615495	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+H+NH4"	19.041099
"1490452"	144.4675495	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H+NH4"	19.041099
"403662"	562.777218	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+Na"	22.989218
"766485"	832.671218	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+Na"	22.989218
"1615311"	292.883218	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Na"	22.989218
"326806"	281.892247	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+H+Na"	23.996494
"717404"	416.839247	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+H+Na"	23.996494
"1469038"	146.945247	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H+Na"	23.996494
"1062281"	98.2992566666667	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2H+Na"	25.00377
"1271380"	302.927486	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+CH3OH+H"	33.033486
"391293"	578.751158	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+K"	38.963158
"753012"	848.645158	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+K"	38.963158
"1554218"	308.857158	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+K"	38.963158
"313221"	289.879217	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+H+K"	39.970434
"706003"	424.826217	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+H+K"	39.970434
"1458849"	154.932217	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H+K"	39.970434
"247447"	581.821826	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+ACN+H"	42.033826
"1222710"	311.927826	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+ACN+H"	42.033826
"1205863"	156.467551	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+ACN+2H"	43.041102
"204012"	584.75916	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+2Na-H"	44.97116
"643164"	854.65316	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+2Na-H"	44.97116
"1144356"	314.86516	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2Na-H"	44.97116
"182178"	292.883218	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+2Na"	45.978436
"619553"	427.830218	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+2Na"	45.978436
"1121962"	157.936218	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2Na"	45.978436
"1413511"	105.626570666667	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H+2Na"	46.985712
"1441979"	316.906746	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H+HCOOH"	47.012746
"228396"	297.91624	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+3H2O+2H"	56.04448
"1521924"	330.95879	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+IsoProp+H"	61.06479
"418331"	300.870188	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+Na+K"	61.952376
"779326"	435.817188	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+Na+K"	61.952376
"1679321"	165.923188	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Na+K"	61.952376
"265476"	603.803768	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+ACN+Na"	64.015768
"1238185"	333.909768	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+ACN+Na"	64.015768
"1727195"	333.933293	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+NH4+HCOOH"	64.039293
"1192791"	112.953884666667	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+3Na"	68.967654
"1663048"	338.888688	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Na+HCOOH"	68.994688
"168813"	616.70704	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+2K-H"	76.91904
"611289"	886.60104	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+2K-H"	76.91904
"1095068"	346.81304	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2K-H"	76.91904
"156960"	308.857158	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"2M+2K"	77.926316
"595708"	443.804158	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"3M+2K"	77.926316
"1070858"	173.910158	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2K"	77.926316
"1105159"	348.827592	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2K+H"	78.933592
"1342637"	348.915207	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+DMSO+H"	79.021207
"1015543"	352.954376	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2ACN+H"	83.060376
"1532210"	353.948008	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+IsoProp+Na+H"	84.054008
"1000845"	176.980826	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+2ACN+2H"	84.067652
"1599357"	354.862628	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+K+HCOOH"	84.968628
"1425746"	384.894138	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+H+CF3COOH"	115.000138
"1156033"	197.494101	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+3ACN+2H"	125.094202
"1705585"	401.920685	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+NH4+CF3COOH"	132.026685
"1643425"	406.87608	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+Na+CF3COOH"	136.98208
"1579075"	422.85002	"C16181"	"beta-23456-Pentachlorocyclohexanol"	"C6H7Cl5O"	"269.894"	"M+K+CF3COOH"	152.95602
"803243"	251.9278	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M"	0
"985162"	232.90941	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-H2O-H"	-19.01839
"78329"	166.944590666667	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M-3H"	-3.021828
"518274"	250.920524	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M-3H"	-3.021828
"887487"	82.9686573333333	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-3H"	-3.021828
"14813"	250.920524	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M-2H"	-2.014552
"454012"	376.884424	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M-2H"	-2.014552
"831815"	124.956624	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-2H"	-2.014552
"93508"	502.848324	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M-H"	-1.007276
"529905"	754.776124	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M-H"	-1.007276
"905162"	250.920524	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-H"	-1.007276
"56258"	519.874871	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M-2H+NH4"	16.019271
"496911"	771.802671	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M-2H+NH4"	16.019271
"871432"	267.947071	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-2H+NH4"	16.019271
"44801"	524.830266	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M-2H+Na"	20.974666
"479986"	776.758066	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M-2H+Na"	20.974666
"861068"	272.902466	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-2H+Na"	20.974666
"1633360"	272.902466	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Na-2H"	20.974666
"108835"	268.908863	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M-H+Cl"	33.962126
"544505"	394.872763	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M-H+Cl"	33.962126
"935832"	142.944963	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-H+Cl"	33.962126
"279860"	538.825002	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+Cl"	34.969402
"674592"	790.752802	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+Cl"	34.969402
"1286507"	286.897202	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Cl"	34.969402
"29063"	540.804206	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M-2H+K"	36.948606
"469357"	792.732006	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M-2H+K"	36.948606
"842419"	288.876406	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-2H+K"	36.948606
"1564812"	288.876406	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+K-2H"	36.948606
"952697"	296.925994	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-H+HCOOH"	44.998194
"369820"	548.853801	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+HCOOH-H"	44.998201
"359909"	562.869451	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+Hac-H"	59.013851
"1504736"	310.941651	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Hac-H"	59.013851
"968627"	318.907951	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-H+NaCOOH"	66.980151
"118994"	286.897202	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+2Cl"	69.938804
"556364"	412.861102	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+2Cl"	69.938804
"1031726"	160.933302	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2Cl"	69.938804
"1250211"	330.846685	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Br"	78.918885
"1314847"	332.902672	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Cl+HCOOH"	80.974872
"1329062"	354.884629	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Cl+NaCOOH"	102.956829
"917932"	364.913386	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M-H+CF3COOH"	112.985586
"1297920"	400.890064	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Cl+CF3COOH"	148.962264
"1370612"	216.915124	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H-2H2O"	-35.012676
"1388115"	234.9251	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H-H2O"	-17.0027
"294366"	504.862876	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+H"	1.007276
"688611"	756.790676	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+H"	1.007276
"1362777"	252.935076	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H"	1.007276
"132754"	252.935076	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+2H"	2.014552
"576683"	378.898976	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+2H"	2.014552
"1045486"	126.971176	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2H"	2.014552
"212296"	168.959142666667	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+3H"	3.021828
"655866"	252.935076	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+3H"	3.021828
"1171074"	84.9832093333333	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+3H"	3.021828
"434344"	521.889423	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+NH4"	18.033823
"792060"	773.817223	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+NH4"	18.033823
"1690578"	269.961623	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+NH4"	18.033823
"341042"	261.4483495	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+H+NH4"	19.041099
"734556"	387.4122495	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+H+NH4"	19.041099
"1490563"	135.4844495	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H+NH4"	19.041099
"403774"	526.844818	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+Na"	22.989218
"762583"	778.772618	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+Na"	22.989218
"1612869"	274.917018	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Na"	22.989218
"325093"	263.926047	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+H+Na"	23.996494
"716420"	389.889947	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+H+Na"	23.996494
"1469147"	137.962147	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H+Na"	23.996494
"1061297"	92.3105233333333	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2H+Na"	25.00377
"1264070"	284.961286	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+CH3OH+H"	33.033486
"382643"	542.818758	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+K"	38.963158
"743640"	794.746558	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+K"	38.963158
"1553720"	290.890958	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+K"	38.963158
"313084"	271.913017	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+H+K"	39.970434
"705504"	397.876917	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+H+K"	39.970434
"1457863"	145.949117	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H+K"	39.970434
"246465"	545.889426	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+ACN+H"	42.033826
"1223551"	293.961626	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+ACN+H"	42.033826
"1208528"	147.484451	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+ACN+2H"	43.041102
"202858"	548.82676	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+2Na-H"	44.97116
"639867"	800.75456	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+2Na-H"	44.97116
"1141183"	296.89896	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2Na-H"	44.97116
"180100"	274.917018	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+2Na"	45.978436
"619663"	400.880918	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+2Na"	45.978436
"1124261"	148.953118	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2Na"	45.978436
"1413500"	99.6378373333333	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H+2Na"	46.985712
"1444156"	298.940546	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H+HCOOH"	47.012746
"231786"	279.95004	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+3H2O+2H"	56.04448
"1522034"	312.99259	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+IsoProp+H"	61.06479
"422818"	282.903988	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+Na+K"	61.952376
"783447"	408.867888	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+Na+K"	61.952376
"1680888"	156.940088	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Na+K"	61.952376
"267043"	567.871368	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+ACN+Na"	64.015768
"1240969"	315.943568	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+ACN+Na"	64.015768
"1727791"	315.967093	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+NH4+HCOOH"	64.039293
"1192780"	106.965151333333	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+3Na"	68.967654
"1664371"	320.922488	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Na+HCOOH"	68.994688
"170016"	580.77464	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+2K-H"	76.91904
"610669"	832.70244	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+2K-H"	76.91904
"1094084"	328.84684	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2K-H"	76.91904
"156623"	290.890958	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"2M+2K"	77.926316
"593021"	416.854858	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"3M+2K"	77.926316
"1073156"	164.927058	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2K"	77.926316
"1104177"	330.861392	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2K+H"	78.933592
"1339469"	330.949007	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+DMSO+H"	79.021207
"1013467"	334.988176	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2ACN+H"	83.060376
"1530501"	335.981808	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+IsoProp+Na+H"	84.054008
"996949"	167.997726	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+2ACN+2H"	84.067652
"1595824"	336.896428	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+K+HCOOH"	84.968628
"1426587"	366.927938	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+H+CF3COOH"	115.000138
"1160517"	188.511001	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+3ACN+2H"	125.094202
"1705696"	383.954485	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+NH4+CF3COOH"	132.026685
"1642442"	388.90988	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+Na+CF3COOH"	136.98208
"1579185"	404.88382	"C16182"	"beta-2356-Tetrachloro-14-cyclohexanediol"	"C6H8Cl4O2"	"251.9278"	"M+K+CF3COOH"	152.95602
"809551"	330.2559	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M"	0
"985272"	311.23751	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-H2O-H"	-19.01839
"78136"	219.163324	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M-3H"	-3.021828
"515265"	329.248624	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M-3H"	-3.021828
"890877"	109.078024	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-3H"	-3.021828
"11640"	329.248624	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H"	-2.014552
"445734"	494.376574	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H"	-2.014552
"830827"	164.120674	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-2H"	-2.014552
"94232"	659.504524	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M-H"	-1.007276
"529651"	989.760424	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M-H"	-1.007276
"905272"	329.248624	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-H"	-1.007276
"58554"	676.531071	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H+NH4"	16.019271
"499207"	1006.786971	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H+NH4"	16.019271
"873728"	346.275171	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-2H+NH4"	16.019271
"45883"	681.486466	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H+Na"	20.974666
"480096"	1011.742366	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H+Na"	20.974666
"861178"	351.230566	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-2H+Na"	20.974666
"1633755"	351.230566	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Na-2H"	20.974666
"109187"	347.236963	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M-H+Cl"	33.962126
"544615"	512.364913	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M-H+Cl"	33.962126
"939222"	182.109013	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-H+Cl"	33.962126
"281062"	695.481202	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+Cl"	34.969402
"674944"	1025.737102	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+Cl"	34.969402
"1288078"	365.225302	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl"	34.969402
"29904"	697.460406	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M-2H+K"	36.948606
"470924"	1027.716306	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M-2H+K"	36.948606
"844716"	367.204506	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-2H+K"	36.948606
"1566016"	367.204506	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+K-2H"	36.948606
"950620"	375.254094	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-H+HCOOH"	44.998194
"368835"	705.510001	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+HCOOH-H"	44.998201
"359897"	719.525651	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+Hac-H"	59.013851
"1506303"	389.269751	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Hac-H"	59.013851
"971289"	397.236051	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-H+NaCOOH"	66.980151
"119104"	365.225302	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+2Cl"	69.938804
"559754"	530.353252	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+2Cl"	69.938804
"1029648"	200.097352	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2Cl"	69.938804
"1245946"	409.174785	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Br"	78.918885
"1311675"	411.230772	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl+HCOOH"	80.974872
"1324796"	433.212729	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl+NaCOOH"	102.956829
"920228"	443.241486	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M-H+CF3COOH"	112.985586
"1295842"	479.218164	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Cl+CF3COOH"	148.962264
"1369262"	295.243224	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H-2H2O"	-35.012676
"1392596"	313.2532	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H-H2O"	-17.0027
"291193"	661.519076	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+H"	1.007276
"688357"	991.774976	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+H"	1.007276
"1362156"	331.263176	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H"	1.007276
"138326"	331.263176	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+2H"	2.014552
"576793"	496.391126	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+2H"	2.014552
"1050697"	166.135226	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2H"	2.014552
"214591"	221.177876	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+3H"	3.021828
"655976"	331.263176	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+3H"	3.021828
"1175556"	111.092576	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+3H"	3.021828
"434453"	678.545623	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+NH4"	18.033823
"789983"	1008.801523	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+NH4"	18.033823
"1689592"	348.289723	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+NH4"	18.033823
"341151"	339.7764495	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+H+NH4"	19.041099
"733572"	504.9043995	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+H+NH4"	19.041099
"1488486"	174.6484995	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H+NH4"	19.041099
"402793"	683.501018	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+Na"	22.989218
"764880"	1013.756918	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+Na"	22.989218
"1612979"	353.245118	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Na"	22.989218
"319736"	342.254147	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+H+Na"	23.996494
"713250"	507.382097	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+H+Na"	23.996494
"1471442"	177.126197	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H+Na"	23.996494
"1062500"	118.41989	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2H+Na"	25.00377
"1264180"	363.289386	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+CH3OH+H"	33.033486
"380566"	699.474958	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+K"	38.963158
"743750"	1029.730858	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+K"	38.963158
"1555412"	369.219058	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+K"	38.963158
"314044"	350.241117	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+H+K"	39.970434
"706629"	515.369067	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+H+K"	39.970434
"1459067"	185.113167	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H+K"	39.970434
"246575"	702.545626	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+ACN+H"	42.033826
"1223660"	372.289726	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+ACN+H"	42.033826
"1204260"	186.648501	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+ACN+2H"	43.041102
"202847"	705.48296	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+2Na-H"	44.97116
"638883"	1035.73886	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+2Na-H"	44.97116
"1139108"	375.22706	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2Na-H"	44.97116
"182396"	353.245118	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+2Na"	45.978436
"619773"	518.373068	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+2Na"	45.978436
"1124371"	188.117168	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2Na"	45.978436
"1413488"	125.747204	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H+2Na"	46.985712
"1444999"	377.268646	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H+HCOOH"	47.012746
"231896"	358.27814	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+3H2O+2H"	56.04448
"1519958"	391.32069	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+IsoProp+H"	61.06479
"423537"	361.232088	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+Na+K"	61.952376
"783193"	526.360038	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+Na+K"	61.952376
"1679904"	196.104138	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Na+K"	61.952376
"266870"	724.527568	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+ACN+Na"	64.015768
"1240471"	394.271668	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+ACN+Na"	64.015768
"1726925"	394.295193	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+NH4+HCOOH"	64.039293
"1193250"	133.074518	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+3Na"	68.967654
"1664358"	399.250588	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Na+HCOOH"	68.994688
"169760"	737.43084	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+2K-H"	76.91904
"611874"	1067.68674	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+2K-H"	76.91904
"1096744"	407.17494	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2K-H"	76.91904
"155151"	369.219058	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"2M+2K"	77.926316
"593131"	534.347008	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"3M+2K"	77.926316
"1073268"	204.091108	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2K"	77.926316
"1105380"	409.189492	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2K+H"	78.933592
"1341766"	409.277107	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+DMSO+H"	79.021207
"1014670"	413.316276	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2ACN+H"	83.060376
"1530612"	414.309908	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+IsoProp+Na+H"	84.054008
"997058"	207.161776	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+2ACN+2H"	84.067652
"1595936"	415.224528	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+K+HCOOH"	84.968628
"1427788"	445.256038	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+H+CF3COOH"	115.000138
"1160628"	227.675051	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+3ACN+2H"	125.094202
"1710179"	462.282585	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+NH4+CF3COOH"	132.026685
"1640365"	467.23798	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+Na+CF3COOH"	136.98208
"1579295"	483.21192	"C16184"	"(5Z8Z11Z14Z17Z)-Eicosapentaenoic acid ethyl ester;EPA ethyl ester"	"C22H34O2"	"330.2559"	"M+K+CF3COOH"	152.95602
"804193"	356.2715	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M"	0
"986475"	337.25311	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-H2O-H"	-19.01839
"76789"	236.507057333333	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M-3H"	-3.021828
"515375"	355.264224	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M-3H"	-3.021828
"889895"	117.749890666667	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-3H"	-3.021828
"10658"	355.264224	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M-2H"	-2.014552
"451312"	533.399974	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M-2H"	-2.014552
"832482"	177.128474	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-2H"	-2.014552
"94259"	711.535724	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M-H"	-1.007276
"530490"	1067.807224	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M-H"	-1.007276
"902102"	355.264224	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-H"	-1.007276
"56478"	728.562271	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M-2H+NH4"	16.019271
"497131"	1084.833771	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M-2H+NH4"	16.019271
"870558"	372.290771	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-2H+NH4"	16.019271
"45872"	733.517666	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M-2H+Na"	20.974666
"480206"	1089.789166	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M-2H+Na"	20.974666
"861288"	377.246166	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-2H+Na"	20.974666
"1634071"	377.246166	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Na-2H"	20.974666
"108324"	373.252563	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M-H+Cl"	33.962126
"546912"	551.388313	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M-H+Cl"	33.962126
"938240"	195.116813	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-H+Cl"	33.962126
"281173"	747.512402	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+Cl"	34.969402
"675425"	1103.783902	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+Cl"	34.969402
"1287827"	391.240902	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Cl"	34.969402
"30744"	749.491606	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M-2H+K"	36.948606
"469212"	1105.763106	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M-2H+K"	36.948606
"844826"	393.220106	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-2H+K"	36.948606
"1569406"	393.220106	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+K-2H"	36.948606
"952917"	401.269694	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-H+HCOOH"	44.998194
"370039"	757.541201	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+HCOOH-H"	44.998201
"360852"	771.556851	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+Hac-H"	59.013851
"1506048"	415.285351	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Hac-H"	59.013851
"971399"	423.251651	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-H+NaCOOH"	66.980151
"120307"	391.240902	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+2Cl"	69.938804
"556584"	569.376652	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+2Cl"	69.938804
"1029758"	213.105152	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2Cl"	69.938804
"1244963"	435.190385	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Br"	78.918885
"1311785"	437.246372	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Cl+HCOOH"	80.974872
"1324906"	459.228329	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Cl+NaCOOH"	102.956829
"920338"	469.257086	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M-H+CF3COOH"	112.985586
"1295952"	505.233764	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Cl+CF3COOH"	148.962264
"1370831"	321.258824	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H-2H2O"	-35.012676
"1391613"	339.2688	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H-H2O"	-17.0027
"291303"	713.550276	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+H"	1.007276
"685914"	1069.821776	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+H"	1.007276
"1356798"	357.278776	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H"	1.007276
"136250"	357.278776	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+2H"	2.014552
"575810"	535.414526	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+2H"	2.014552
"1047891"	179.143026	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2H"	2.014552
"212512"	238.521609333333	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+3H"	3.021828
"650981"	357.278776	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+3H"	3.021828
"1173478"	119.764442666667	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+3H"	3.021828
"433469"	730.576823	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+NH4"	18.033823
"788999"	1086.848323	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+NH4"	18.033823
"1686422"	374.305323	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+NH4"	18.033823
"339074"	365.7920495	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+H+NH4"	19.041099
"734777"	543.9277995	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+H+NH4"	19.041099
"1488598"	187.6562995	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H+NH4"	19.041099
"401811"	735.532218	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+Na"	22.989218
"762807"	1091.803718	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+Na"	22.989218
"1611997"	379.260718	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Na"	22.989218
"320940"	368.269747	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+H+Na"	23.996494
"711174"	546.405497	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+H+Na"	23.996494
"1468272"	190.133997	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H+Na"	23.996494
"1061516"	127.091756666667	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2H+Na"	25.00377
"1266477"	389.304986	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+CH3OH+H"	33.033486
"381770"	751.506158	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+K"	38.963158
"743860"	1107.777658	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+K"	38.963158
"1555029"	395.234658	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+K"	38.963158
"312206"	376.256717	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+H+K"	39.970434
"706451"	554.392467	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+H+K"	39.970434
"1461298"	198.120967	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H+K"	39.970434
"246685"	754.576826	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+ACN+H"	42.033826
"1223406"	398.305326	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+ACN+H"	42.033826
"1205099"	199.656301	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+ACN+2H"	43.041102
"202956"	757.51416	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+2Na-H"	44.97116
"637899"	1113.78566	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+2Na-H"	44.97116
"1137394"	401.24266	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2Na-H"	44.97116
"183596"	379.260718	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+2Na"	45.978436
"619883"	557.396468	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+2Na"	45.978436
"1124481"	201.124968	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2Na"	45.978436
"1412870"	134.419070666667	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H+2Na"	46.985712
"1443404"	403.284246	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H+HCOOH"	47.012746
"228726"	384.29374	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+3H2O+2H"	56.04448
"1516788"	417.33629	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+IsoProp+H"	61.06479
"422308"	387.247688	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+Na+K"	61.952376
"783789"	565.383438	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+Na+K"	61.952376
"1679892"	209.111938	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Na+K"	61.952376
"266289"	776.558768	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+ACN+Na"	64.015768
"1240941"	420.287268	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+ACN+Na"	64.015768
"1727640"	420.310793	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+NH4+HCOOH"	64.039293
"1193603"	141.746384666667	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+3Na"	68.967654
"1664467"	425.266188	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Na+HCOOH"	68.994688
"170233"	789.46204	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+2K-H"	76.91904
"611254"	1145.73354	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+2K-H"	76.91904
"1095396"	433.19054	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2K-H"	76.91904
"155505"	395.234658	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"2M+2K"	77.926316
"586680"	573.370408	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"3M+2K"	77.926316
"1072284"	217.098908	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2K"	77.926316
"1104398"	435.205092	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2K+H"	78.933592
"1340783"	435.292707	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+DMSO+H"	79.021207
"1013688"	439.331876	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2ACN+H"	83.060376
"1532907"	440.325508	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+IsoProp+Na+H"	84.054008
"999353"	220.169576	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+2ACN+2H"	84.067652
"1597139"	441.240128	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+K+HCOOH"	84.968628
"1428262"	471.271638	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+H+CF3COOH"	115.000138
"1160738"	240.682851	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+3ACN+2H"	125.094202
"1708103"	488.298185	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+NH4+CF3COOH"	132.026685
"1640475"	493.25358	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+Na+CF3COOH"	136.98208
"1579405"	509.22752	"C16185"	"(4Z7Z10Z13Z16Z19Z)-Docosahexaenoic acid ethyl ester;DHA ethyl ester"	"C24H36O2"	"356.2715"	"M+K+CF3COOH"	152.95602
"801827"	255.9984	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M"	0
"986585"	236.98001	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-H2O-H"	-19.01839
"74831"	169.658324	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M-3H"	-3.021828
"515485"	254.991124	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M-3H"	-3.021828
"893895"	84.325524	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-3H"	-3.021828
"14293"	254.991124	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M-2H"	-2.014552
"452151"	382.990324	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M-2H"	-2.014552
"832599"	126.991924	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-2H"	-2.014552
"94167"	510.989524	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M-H"	-1.007276
"531330"	766.987924	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M-H"	-1.007276
"906586"	254.991124	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-H"	-1.007276
"56588"	528.016071	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M-2H+NH4"	16.019271
"493961"	784.014471	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M-2H+NH4"	16.019271
"868846"	272.017671	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-2H+NH4"	16.019271
"42944"	532.971466	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M-2H+Na"	20.974666
"483597"	788.969866	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M-2H+Na"	20.974666
"861398"	276.973066	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-2H+Na"	20.974666
"1631663"	276.973066	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Na-2H"	20.974666
"108195"	272.979463	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M-H+Cl"	33.962126
"543742"	400.978663	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M-H+Cl"	33.962126
"941512"	144.980263	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-H+Cl"	33.962126
"280433"	546.966202	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+Cl"	34.969402
"675624"	802.964602	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+Cl"	34.969402
"1288141"	290.967802	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Cl"	34.969402
"29395"	548.945406	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M-2H+K"	36.948606
"469321"	804.943806	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M-2H+K"	36.948606
"844936"	292.947006	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-2H+K"	36.948606
"1567330"	292.947006	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+K-2H"	36.948606
"950840"	300.996594	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-H+HCOOH"	44.998194
"370149"	556.995001	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+HCOOH-H"	44.998201
"359509"	571.010651	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+Hac-H"	59.013851
"1503971"	315.012251	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Hac-H"	59.013851
"968228"	322.978551	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-H+NaCOOH"	66.980151
"116043"	290.967802	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+2Cl"	69.938804
"556694"	418.967002	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+2Cl"	69.938804
"1026588"	162.968602	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2Cl"	69.938804
"1246166"	334.917285	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Br"	78.918885
"1311895"	336.973272	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Cl+HCOOH"	80.974872
"1323923"	358.955229	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Cl+NaCOOH"	102.956829
"918262"	368.983986	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M-H+CF3COOH"	112.985586
"1294969"	404.960664	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Cl+CF3COOH"	148.962264
"1369849"	220.985724	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H-2H2O"	-35.012676
"1392816"	238.9957	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H-H2O"	-17.0027
"292506"	513.004076	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+H"	1.007276
"681650"	769.002476	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+H"	1.007276
"1352166"	257.005676	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H"	1.007276
"133077"	257.005676	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+2H"	2.014552
"576649"	385.004876	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+2H"	2.014552
"1045813"	129.006476	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2H"	2.014552
"211531"	171.672876	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+3H"	3.021828
"649998"	257.005676	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+3H"	3.021828
"1173224"	86.340076	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+3H"	3.021828
"434672"	530.030623	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+NH4"	18.033823
"787650"	786.029023	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+NH4"	18.033823
"1688719"	274.032223	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+NH4"	18.033823
"339185"	265.5189495	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+H+NH4"	19.041099
"730513"	393.5181495	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+H+NH4"	19.041099
"1486522"	137.5197495	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H+NH4"	19.041099
"401921"	534.986018	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+Na"	22.989218
"765103"	790.984418	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+Na"	22.989218
"1612107"	278.987618	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Na"	22.989218
"324330"	267.996647	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+H+Na"	23.996494
"713471"	395.995847	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+H+Na"	23.996494
"1468382"	139.997447	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H+Na"	23.996494
"1058346"	93.66739	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2H+Na"	25.00377
"1268774"	289.031886	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+CH3OH+H"	33.033486
"382974"	550.959958	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+K"	38.963158
"746157"	806.958358	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+K"	38.963158
"1554290"	294.961558	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+K"	38.963158
"312681"	275.983617	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+H+K"	39.970434
"706198"	403.982817	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+H+K"	39.970434
"1461116"	147.984417	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H+K"	39.970434
"246795"	554.030626	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+ACN+H"	42.033826
"1223151"	298.032226	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+ACN+H"	42.033826
"1208129"	149.519751	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+ACN+2H"	43.041102
"204044"	556.96796	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+2Na-H"	44.97116
"639101"	812.96636	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+2Na-H"	44.97116
"1138234"	300.96956	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2Na-H"	44.97116
"181520"	278.987618	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+2Na"	45.978436
"619993"	406.986818	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+2Na"	45.978436
"1123498"	150.988418	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2Na"	45.978436
"1412858"	100.994704	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H+2Na"	46.985712
"1438047"	303.011146	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H+HCOOH"	47.012746
"228836"	284.02064	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+3H2O+2H"	56.04448
"1516898"	317.06319	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+IsoProp+H"	61.06479
"422418"	286.974588	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+Na+K"	61.952376
"784628"	414.973788	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+Na+K"	61.952376
"1678303"	158.975388	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Na+K"	61.952376
"265189"	576.012568	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+ACN+Na"	64.015768
"1240688"	320.014168	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+ACN+Na"	64.015768
"1725682"	320.037693	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+NH4+HCOOH"	64.039293
"1189940"	108.322018	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+3Na"	68.967654
"1661289"	324.993088	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Na+HCOOH"	68.994688
"169249"	588.91584	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+2K-H"	76.91904
"608446"	844.91424	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+2K-H"	76.91904
"1095871"	332.91744	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2K-H"	76.91904
"154884"	294.961558	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"2M+2K"	77.926316
"583873"	422.960758	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"3M+2K"	77.926316
"1072394"	166.962358	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2K"	77.926316
"1103414"	334.931992	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2K+H"	78.933592
"1340893"	335.019607	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+DMSO+H"	79.021207
"1014893"	339.058776	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2ACN+H"	83.060376
"1531923"	340.052408	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+IsoProp+Na+H"	84.054008
"996186"	170.033026	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+2ACN+2H"	84.067652
"1593969"	340.967028	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+K+HCOOH"	84.968628
"1426188"	370.998538	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+H+CF3COOH"	115.000138
"1157569"	190.546301	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+3ACN+2H"	125.094202
"1709306"	388.025085	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+NH4+CF3COOH"	132.026685
"1643865"	392.98048	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+Na+CF3COOH"	136.98208
"1579515"	408.95442	"C16186"	"L-Ascorbate 6-phosphate"	"C6H9O9P"	"255.9984"	"M+K+CF3COOH"	152.95602
"801630"	288.0998	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M"	0
"986695"	269.08141	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-H2O-H"	-19.01839
"74941"	191.059257333333	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M-3H"	-3.021828
"517781"	287.092524	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M-3H"	-3.021828
"894490"	95.0259906666667	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-3H"	-3.021828
"14159"	287.092524	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M-2H"	-2.014552
"452625"	431.142424	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M-2H"	-2.014552
"831894"	143.042624	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-2H"	-2.014552
"93225"	575.192324	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M-H"	-1.007276
"532533"	863.292124	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M-H"	-1.007276
"900132"	287.092524	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-H"	-1.007276
"58885"	592.218871	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M-2H+NH4"	16.019271
"494071"	880.318671	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M-2H+NH4"	16.019271
"868956"	304.119071	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-2H+NH4"	16.019271
"43054"	597.174266	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M-2H+Na"	20.974666
"483707"	885.274066	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M-2H+Na"	20.974666
"861508"	309.074466	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-2H+Na"	20.974666
"1628856"	309.074466	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Na-2H"	20.974666
"108425"	305.080863	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M-H+Cl"	33.962126
"543852"	449.130763	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M-H+Cl"	33.962126
"941624"	161.030963	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-H+Cl"	33.962126
"280057"	611.169002	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+Cl"	34.969402
"675038"	899.268802	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+Cl"	34.969402
"1287073"	323.069202	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Cl"	34.969402
"28776"	613.148206	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M-2H+K"	36.948606
"467244"	901.248006	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M-2H+K"	36.948606
"841766"	325.048406	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-2H+K"	36.948606
"1564159"	325.048406	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+K-2H"	36.948606
"950950"	333.097994	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-H+HCOOH"	44.998194
"366979"	621.197801	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+HCOOH-H"	44.998201
"361071"	635.213451	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+Hac-H"	59.013851
"1505169"	347.113651	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Hac-H"	59.013851
"969431"	355.079951	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-H+NaCOOH"	66.980151
"115060"	323.069202	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+2Cl"	69.938804
"556804"	467.119102	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+2Cl"	69.938804
"1026698"	179.019302	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2Cl"	69.938804
"1245183"	367.018685	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Br"	78.918885
"1312005"	369.074672	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Cl+HCOOH"	80.974872
"1324033"	391.056629	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Cl+NaCOOH"	102.956829
"918372"	401.085386	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M-H+CF3COOH"	112.985586
"1293986"	437.062064	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Cl+CF3COOH"	148.962264
"1368866"	253.087124	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H-2H2O"	-35.012676
"1395113"	271.0971	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H-H2O"	-17.0027
"291523"	577.206876	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+H"	1.007276
"681760"	865.306676	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+H"	1.007276
"1353005"	289.107076	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H"	1.007276
"133187"	289.107076	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+2H"	2.014552
"578216"	433.156976	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+2H"	2.014552
"1047016"	145.057176	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2H"	2.014552
"213828"	193.073809333333	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+3H"	3.021828
"651202"	289.107076	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+3H"	3.021828
"1173699"	97.0405426666667	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+3H"	3.021828
"434783"	594.233423	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+NH4"	18.033823
"788126"	882.333223	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+NH4"	18.033823
"1687737"	306.133623	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+NH4"	18.033823
"342576"	297.6203495	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+H+NH4"	19.041099
"732811"	441.6702495	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+H+NH4"	19.041099
"1488819"	153.5704495	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H+NH4"	19.041099
"399845"	599.188818	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+Na"	22.989218
"766307"	887.288618	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+Na"	22.989218
"1615498"	311.089018	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Na"	22.989218
"324440"	300.098047	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+H+Na"	23.996494
"715768"	444.147947	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+H+Na"	23.996494
"1470679"	156.048147	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H+Na"	23.996494
"1058456"	104.367856666667	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2H+Na"	25.00377
"1267790"	321.133286	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+CH3OH+H"	33.033486
"384177"	615.162758	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+K"	38.963158
"749547"	903.262558	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+K"	38.963158
"1553914"	327.062958	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+K"	38.963158
"311698"	308.085017	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+H+K"	39.970434
"702294"	452.134917	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+H+K"	39.970434
"1460374"	164.035117	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H+K"	39.970434
"246905"	618.233426	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+ACN+H"	42.033826
"1222532"	330.133626	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+ACN+H"	42.033826
"1207509"	165.570451	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+ACN+2H"	43.041102
"202942"	621.17076	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+2Na-H"	44.97116
"635932"	909.27056	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+2Na-H"	44.97116
"1137251"	333.07096	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2Na-H"	44.97116
"181994"	311.089018	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+2Na"	45.978436
"623383"	455.138918	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+2Na"	45.978436
"1123608"	167.039118	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2Na"	45.978436
"1412604"	111.695170666667	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H+2Na"	46.985712
"1438157"	335.112546	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H+HCOOH"	47.012746
"226759"	316.12204	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+3H2O+2H"	56.04448
"1518101"	349.16459	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+IsoProp+H"	61.06479
"415598"	319.075988	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+Na+K"	61.952376
"776593"	463.125888	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+Na+K"	61.952376
"1679140"	175.026088	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Na+K"	61.952376
"265661"	640.215368	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+ACN+Na"	64.015768
"1239825"	352.115568	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+ACN+Na"	64.015768
"1726519"	352.139093	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+NH4+HCOOH"	64.039293
"1191508"	119.022484666667	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+3Na"	68.967654
"1663950"	357.094488	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Na+HCOOH"	68.994688
"170449"	653.11864	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+2K-H"	76.91904
"611344"	941.21844	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+2K-H"	76.91904
"1097073"	365.01884	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2K-H"	76.91904
"154993"	327.062958	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"2M+2K"	77.926316
"584348"	471.112858	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"3M+2K"	77.926316
"1069706"	183.013058	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2K"	77.926316
"1101337"	367.033392	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2K+H"	78.933592
"1339910"	367.121007	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+DMSO+H"	79.021207
"1015002"	371.160176	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2ACN+H"	83.060376
"1530942"	372.153808	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+IsoProp+Na+H"	84.054008
"997389"	186.083726	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+2ACN+2H"	84.067652
"1594079"	373.068428	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+K+HCOOH"	84.968628
"1426298"	403.099938	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+H+CF3COOH"	115.000138
"1157678"	206.597001	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+3ACN+2H"	125.094202
"1709416"	420.126485	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+NH4+CF3COOH"	132.026685
"1643975"	425.08188	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+Na+CF3COOH"	136.98208
"1579625"	441.05582	"C16187"	"72-Dihydroxy-4-methoxy-isoflavanol;DMI;(3R4R)-4-Methoxyisoflavan-247-triol"	"C16H16O5"	"288.0998"	"M+K+CF3COOH"	152.95602
"814370"	328.0947	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M"	0
"985716"	309.07631	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-H2O-H"	-19.01839
"77239"	217.722524	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M-3H"	-3.021828
"517775"	327.087424	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M-3H"	-3.021828
"884758"	108.357624	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-3H"	-3.021828
"5521"	327.087424	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M-2H"	-2.014552
"452006"	491.134774	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M-2H"	-2.014552
"832693"	163.040074	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-2H"	-2.014552
"93901"	655.182124	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M-H"	-1.007276
"532645"	983.276824	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M-H"	-1.007276
"905706"	327.087424	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-H"	-1.007276
"50244"	672.208671	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M-2H+NH4"	16.019271
"493449"	1000.303371	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M-2H+NH4"	16.019271
"878422"	344.113971	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-2H+NH4"	16.019271
"45356"	677.164066	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M-2H+Na"	20.974666
"484912"	1005.258766	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M-2H+Na"	20.974666
"860526"	349.069366	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-2H+Na"	20.974666
"1630060"	349.069366	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Na-2H"	20.974666
"106594"	345.075763	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M-H+Cl"	33.962126
"548216"	509.123113	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M-H+Cl"	33.962126
"942339"	181.028413	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-H+Cl"	33.962126
"282234"	691.158802	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+Cl"	34.969402
"672711"	1019.253502	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+Cl"	34.969402
"1286945"	363.064102	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Cl"	34.969402
"26699"	693.138006	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M-2H+K"	36.948606
"469908"	1021.232706	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M-2H+K"	36.948606
"846250"	365.043306	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-2H+K"	36.948606
"1564269"	365.043306	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+K-2H"	36.948606
"955071"	373.092894	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-H+HCOOH"	44.998194
"370369"	701.187601	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+HCOOH-H"	44.998201
"358995"	715.203251	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+Hac-H"	59.013851
"1503094"	387.108551	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Hac-H"	59.013851
"969179"	395.074851	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-H+NaCOOH"	66.980151
"118450"	363.064102	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+2Cl"	69.938804
"556915"	527.111452	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+2Cl"	69.938804
"1026814"	199.016752	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2Cl"	69.938804
"1249671"	407.013585	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Br"	78.918885
"1315399"	409.069572	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Cl+HCOOH"	80.974872
"1324147"	431.051529	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Cl+NaCOOH"	102.956829
"918484"	441.080286	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M-H+CF3COOH"	112.985586
"1298475"	477.056964	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Cl+CF3COOH"	148.962264
"1377730"	293.082024	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H-2H2O"	-35.012676
"1390852"	311.092	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H-H2O"	-17.0027
"291633"	657.196676	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+H"	1.007276
"678590"	985.291376	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+H"	1.007276
"1354937"	329.101976	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H"	1.007276
"131105"	329.101976	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+2H"	2.014552
"572852"	493.149326	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+2H"	2.014552
"1046029"	165.054626	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2H"	2.014552
"215022"	219.737076	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+3H"	3.021828
"655678"	329.101976	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+3H"	3.021828
"1173810"	110.372176	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+3H"	3.021828
"434894"	674.223223	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+NH4"	18.033823
"788602"	1002.317923	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+NH4"	18.033823
"1685660"	346.128523	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+NH4"	18.033823
"340499"	337.6152495	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+H+NH4"	19.041099
"731828"	501.6625995	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+H+NH4"	19.041099
"1487837"	173.5678995	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H+NH4"	19.041099
"403236"	679.178618	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+Na"	22.989218
"767148"	1007.273318	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+Na"	22.989218
"1615609"	351.083918	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Na"	22.989218
"322364"	340.092947	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+H+Na"	23.996494
"715878"	504.140297	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+H+Na"	23.996494
"1475164"	176.045597	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H+Na"	23.996494
"1064035"	117.69949	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2H+Na"	25.00377
"1267900"	361.128186	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+CH3OH+H"	33.033486
"388662"	695.152558	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+K"	38.963158
"749657"	1023.247258	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+K"	38.963158
"1553901"	367.057858	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+K"	38.963158
"311808"	348.079917	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+H+K"	39.970434
"703497"	512.127267	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+H+K"	39.970434
"1460238"	184.032567	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H+K"	39.970434
"245922"	698.223226	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+ACN+H"	42.033826
"1221913"	370.128526	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+ACN+H"	42.033826
"1206160"	185.567901	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+ACN+2H"	43.041102
"200857"	701.16056	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+2Na-H"	44.97116
"638230"	1029.25526	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+2Na-H"	44.97116
"1140641"	373.06586	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2Na-H"	44.97116
"178098"	351.083918	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+2Na"	45.978436
"622400"	515.131268	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+2Na"	45.978436
"1123718"	187.036568	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2Na"	45.978436
"1412714"	125.026804	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H+2Na"	46.985712
"1442641"	375.107446	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H+HCOOH"	47.012746
"229056"	356.11694	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+3H2O+2H"	56.04448
"1520398"	389.15949	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+IsoProp+H"	61.06479
"414615"	359.070888	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+Na+K"	61.952376
"773423"	523.118238	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+Na+K"	61.952376
"1677792"	195.023538	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Na+K"	61.952376
"265647"	720.205168	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+ACN+Na"	64.015768
"1240301"	392.110468	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+ACN+Na"	64.015768
"1725537"	392.133993	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+NH4+HCOOH"	64.039293
"1190163"	132.354118	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+3Na"	68.967654
"1661513"	397.089388	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Na+HCOOH"	68.994688
"167644"	733.10844	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+2K-H"	76.91904
"610118"	1061.20314	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+2K-H"	76.91904
"1096456"	405.01374	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2K-H"	76.91904
"155960"	367.057858	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"2M+2K"	77.926316
"584094"	531.105208	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"3M+2K"	77.926316
"1072614"	203.010508	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2K"	77.926316
"1101448"	407.028292	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2K+H"	78.933592
"1337834"	407.115907	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+DMSO+H"	79.021207
"1006606"	411.155076	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2ACN+H"	83.060376
"1532143"	412.148708	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+IsoProp+Na+H"	84.054008
"994216"	206.081176	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+2ACN+2H"	84.067652
"1595279"	413.063328	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+K+HCOOH"	84.968628
"1424221"	443.094838	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+H+CF3COOH"	115.000138
"1155604"	226.594451	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+3ACN+2H"	125.094202
"1707340"	460.121385	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+NH4+CF3COOH"	132.026685
"1644085"	465.07678	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+Na+CF3COOH"	136.98208
"1579735"	481.05072	"C16188"	"7-Hydroxy-245-trimethoxyisoflavone"	"C18H16O6"	"328.0947"	"M+K+CF3COOH"	152.95602
"801956"	328.0947	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M"	0
"985826"	309.07631	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-H2O-H"	-19.01839
"77350"	217.722524	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M-3H"	-3.021828
"518254"	327.087424	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M-3H"	-3.021828
"884867"	108.357624	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-3H"	-3.021828
"5629"	327.087424	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M-2H"	-2.014552
"449564"	491.134774	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M-2H"	-2.014552
"827367"	163.040074	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-2H"	-2.014552
"93643"	655.182124	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M-H"	-1.007276
"533689"	983.276824	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M-H"	-1.007276
"902536"	327.087424	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-H"	-1.007276
"53634"	672.208671	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M-2H+NH4"	16.019271
"492101"	1000.303371	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M-2H+NH4"	16.019271
"878290"	344.113971	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-2H+NH4"	16.019271
"46071"	677.164066	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M-2H+Na"	20.974666
"485997"	1005.258766	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M-2H+Na"	20.974666
"860635"	349.069366	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-2H+Na"	20.974666
"1630169"	349.069366	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Na-2H"	20.974666
"104511"	345.075763	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M-H+Cl"	33.962126
"547353"	509.123113	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M-H+Cl"	33.962126
"941841"	181.028413	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-H+Cl"	33.962126
"282225"	691.158802	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+Cl"	34.969402
"672942"	1019.253502	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+Cl"	34.969402
"1287411"	363.064102	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Cl"	34.969402
"31242"	693.138006	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M-2H+K"	36.948606
"470872"	1021.232706	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M-2H+K"	36.948606
"845267"	365.043306	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-2H+K"	36.948606
"1563286"	365.043306	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+K-2H"	36.948606
"956273"	373.092894	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-H+HCOOH"	44.998194
"371572"	701.187601	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+HCOOH-H"	44.998201
"359470"	715.203251	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+Hac-H"	59.013851
"1506485"	387.108551	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Hac-H"	59.013851
"970382"	395.074851	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-H+NaCOOH"	66.980151
"117466"	363.064102	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+2Cl"	69.938804
"558118"	527.111452	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+2Cl"	69.938804
"1026924"	199.016752	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2Cl"	69.938804
"1248688"	407.013585	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Br"	78.918885
"1316602"	409.069572	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Cl+HCOOH"	80.974872
"1324257"	431.051529	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Cl+NaCOOH"	102.956829
"915315"	441.080286	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M-H+CF3COOH"	112.985586
"1298585"	477.056964	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Cl+CF3COOH"	148.962264
"1380027"	293.082024	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H-2H2O"	-35.012676
"1393149"	311.092	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H-H2O"	-17.0027
"291743"	657.196676	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+H"	1.007276
"680887"	985.291376	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+H"	1.007276
"1354683"	329.101976	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H"	1.007276
"131580"	329.101976	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+2H"	2.014552
"571140"	493.149326	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+2H"	2.014552
"1045047"	165.054626	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2H"	2.014552
"215132"	219.737076	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+3H"	3.021828
"652510"	329.101976	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+3H"	3.021828
"1176472"	110.372176	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+3H"	3.021828
"436461"	674.223223	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+NH4"	18.033823
"789441"	1002.317923	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+NH4"	18.033823
"1685770"	346.128523	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+NH4"	18.033823
"338423"	337.6152495	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+H+NH4"	19.041099
"733032"	501.6625995	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+H+NH4"	19.041099
"1484667"	173.5678995	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H+NH4"	19.041099
"403346"	679.178618	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+Na"	22.989218
"764343"	1007.273318	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+Na"	22.989218
"1613533"	351.083918	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Na"	22.989218
"321381"	340.092947	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+H+Na"	23.996494
"717083"	504.140297	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+H+Na"	23.996494
"1473089"	176.045597	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H+Na"	23.996494
"1059773"	117.69949	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2H+Na"	25.00377
"1265825"	361.128186	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+CH3OH+H"	33.033486
"386584"	695.152558	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+K"	38.963158
"749403"	1023.247258	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+K"	38.963158
"1549637"	367.057858	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+K"	38.963158
"308997"	348.079917	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+H+K"	39.970434
"693763"	512.127267	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+H+K"	39.970434
"1458522"	184.032567	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H+K"	39.970434
"246033"	698.223226	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+ACN+H"	42.033826
"1220929"	370.128526	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+ACN+H"	42.033826
"1205906"	185.567901	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+ACN+2H"	43.041102
"198780"	701.16056	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+2Na-H"	44.97116
"638340"	1029.25526	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+2Na-H"	44.97116
"1136377"	373.06586	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2Na-H"	44.97116
"174683"	351.083918	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+2Na"	45.978436
"619230"	515.131268	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+2Na"	45.978436
"1123828"	187.036568	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2Na"	45.978436
"1412821"	125.026804	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H+2Na"	46.985712
"1442751"	375.107446	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H+HCOOH"	47.012746
"229166"	356.11694	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+3H2O+2H"	56.04448
"1513948"	389.15949	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+IsoProp+H"	61.06479
"412538"	359.070888	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+Na+K"	61.952376
"770978"	523.118238	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+Na+K"	61.952376
"1680696"	195.023538	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Na+K"	61.952376
"266122"	720.205168	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+ACN+Na"	64.015768
"1240897"	392.110468	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+ACN+Na"	64.015768
"1725646"	392.133993	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+NH4+HCOOH"	64.039293
"1192095"	132.354118	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+3Na"	68.967654
"1661622"	397.089388	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Na+HCOOH"	68.994688
"165568"	733.10844	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+2K-H"	76.91904
"608041"	1061.20314	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+2K-H"	76.91904
"1096201"	405.01374	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2K-H"	76.91904
"156556"	367.057858	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"2M+2K"	77.926316
"589307"	531.105208	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"3M+2K"	77.926316
"1074911"	203.010508	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2K"	77.926316
"1102652"	407.028292	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2K+H"	78.933592
"1341224"	407.115907	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+DMSO+H"	79.021207
"1008661"	411.155076	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2ACN+H"	83.060376
"1531159"	412.148708	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+IsoProp+Na+H"	84.054008
"995421"	206.081176	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+2ACN+2H"	84.067652
"1595391"	413.063328	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+K+HCOOH"	84.968628
"1425425"	443.094838	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+H+CF3COOH"	115.000138
"1161180"	226.594451	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+3ACN+2H"	125.094202
"1709637"	460.121385	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+NH4+CF3COOH"	132.026685
"1639820"	465.07678	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+Na+CF3COOH"	136.98208
"1579845"	481.05072	"C16189"	"9-Demethylmunduserone"	"C18H16O6"	"328.0947"	"M+K+CF3COOH"	152.95602
"806931"	286.0841	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M"	0
"989697"	267.06571	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"77826"	189.715457333333	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"518203"	285.076824	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"888258"	94.3540906666667	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"14487"	285.076824	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"452591"	428.118874	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"830029"	142.034774	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"94084"	571.160924	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"533840"	857.245024	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"907750"	285.076824	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"51192"	588.187471	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"490389"	874.271571	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"879460"	302.103371	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"45086"	593.142866	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"485942"	879.226966	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"860746"	307.058766	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1632465"	307.058766	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"105713"	303.065163	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"547463"	446.107213	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"940979"	160.023113	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"282782"	607.137602	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"671958"	893.221702	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1287157"	321.053502	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"31418"	609.116806	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"470856"	895.200906	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"848177"	323.032706	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1569957"	323.032706	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"956383"	331.082294	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"375329"	617.166401	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"357753"	631.182051	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1507649"	345.097951	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"970858"	353.064251	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"118669"	321.053502	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"560415"	464.095552	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1031407"	178.011452	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1252079"	365.002985	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1314526"	367.058972	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1326553"	389.040929	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"917611"	399.069686	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1298695"	435.046364	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1377957"	251.071424	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1397515"	269.0814	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"295134"	573.175476	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"679903"	859.259576	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1353333"	287.091376	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"131323"	287.091376	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"569789"	430.133426	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1046247"	144.049326	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"214147"	191.730009333333	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"652616"	287.091376	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1177554"	96.3686426666667	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"439856"	590.202023	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"791738"	876.286123	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1685151"	304.117923	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"338531"	295.6046495	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"729862"	438.6466995	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1483681"	152.5625995	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"404552"	595.157418	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"768709"	881.241518	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1613645"	309.073318	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"324772"	298.082347	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"716100"	441.124397	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1473567"	155.040297	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1065351"	103.695956666667	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1268121"	319.117586	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"388882"	611.131358	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"747690"	897.215458	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1554120"	325.047258	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"310932"	306.069317	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"699341"	449.111367	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1458997"	163.027267	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"248698"	614.202026	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1225577"	328.117926	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1209181"	164.562601	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"196703"	617.13936	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"636263"	903.22346	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1138676"	331.05526	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"176859"	309.073318	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"620797"	452.115368	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1123938"	166.031268	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1411838"	111.023270666667	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1442861"	333.096846	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"235638"	314.10634	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1524027"	347.14889	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"417024"	317.060288	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"775831"	460.102338	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1679100"	174.018238	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"266599"	636.183968	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1241010"	350.099868	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1725756"	350.123393	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1192934"	118.350584666667	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1660639"	355.078788	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"166771"	649.08724	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"609245"	935.17134	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1097043"	363.00314	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"156792"	325.047258	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"592697"	468.089308	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1071741"	182.005208	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1106046"	365.017692	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1342429"	365.105307	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1009864"	369.144476	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1534549"	370.138108	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"995532"	185.075876	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1594407"	371.052728	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1424442"	401.084238	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1160197"	205.589151	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1706468"	418.110785	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1644305"	423.06618	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1579955"	439.04012	"C16190"	"27-Dihydroxy-4-methoxyisoflavanone"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"801599"	502.1111	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M"	0
"986047"	483.09271	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-H2O-H"	-19.01839
"75383"	333.733457333333	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M-3H"	-3.021828
"516035"	501.103824	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M-3H"	-3.021828
"887275"	166.363090666667	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-3H"	-3.021828
"9130"	501.103824	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M-2H"	-2.014552
"447598"	752.159374	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M-2H"	-2.014552
"824307"	250.048274	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-2H"	-2.014552
"93662"	1003.214924	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M-H"	-1.007276
"533708"	1505.326024	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M-H"	-1.007276
"908225"	501.103824	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-H"	-1.007276
"53854"	1020.241471	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M-2H+NH4"	16.019271
"492322"	1522.352571	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M-2H+NH4"	16.019271
"874502"	518.130371	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-2H+NH4"	16.019271
"42401"	1025.196866	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M-2H+Na"	20.974666
"484148"	1527.307966	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M-2H+Na"	20.974666
"860855"	523.085766	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-2H+Na"	20.974666
"1629295"	523.085766	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Na-2H"	20.974666
"105823"	519.092163	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M-H+Cl"	33.962126
"546116"	770.147713	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M-H+Cl"	33.962126
"939632"	268.036613	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-H+Cl"	33.962126
"282730"	1039.191602	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+Cl"	34.969402
"670975"	1541.302702	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+Cl"	34.969402
"1287388"	537.080502	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Cl"	34.969402
"23745"	1041.170806	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M-2H+K"	36.948606
"467686"	1543.281906	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M-2H+K"	36.948606
"848161"	539.059706	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-2H+K"	36.948606
"1562413"	539.059706	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+K-2H"	36.948606
"945921"	547.109294	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-H+HCOOH"	44.998194
"375072"	1049.220401	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+HCOOH-H"	44.998201
"357862"	1063.236051	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+Hac-H"	59.013851
"1501603"	561.124951	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Hac-H"	59.013851
"966592"	569.091251	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-H+NaCOOH"	66.980151
"120965"	537.080502	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+2Cl"	69.938804
"558337"	788.136052	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+2Cl"	69.938804
"1028234"	286.024952	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2Cl"	69.938804
"1245624"	581.029985	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Br"	78.918885
"1308073"	583.085972	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Cl+HCOOH"	80.974872
"1320221"	605.067929	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Cl+NaCOOH"	102.956829
"913346"	615.096686	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M-H+CF3COOH"	112.985586
"1298805"	651.073364	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Cl+CF3COOH"	148.962264
"1379157"	467.098424	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H-2H2O"	-35.012676
"1395558"	485.1084	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H-H2O"	-17.0027
"296338"	1005.229476	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+H"	1.007276
"689487"	1507.340576	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+H"	1.007276
"1358548"	503.118376	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H"	1.007276
"126088"	503.118376	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+2H"	2.014552
"568804"	754.173926	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+2H"	2.014552
"1048544"	252.062826	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2H"	2.014552
"210976"	335.748009333333	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+3H"	3.021828
"652726"	503.118376	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+3H"	3.021828
"1173048"	168.377642666667	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+3H"	3.021828
"438139"	1022.256023	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+NH4"	18.033823
"789662"	1524.367123	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+NH4"	18.033823
"1685990"	520.144923	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+NH4"	18.033823
"339735"	511.6316495	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+H+NH4"	19.041099
"728879"	762.6871995	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+H+NH4"	19.041099
"1480514"	260.5760995	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H+NH4"	19.041099
"406484"	1027.211418	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+Na"	22.989218
"767479"	1529.322518	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+Na"	22.989218
"1610475"	525.100318	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Na"	22.989218
"320508"	514.109347	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+H+Na"	23.996494
"714023"	765.164897	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+H+Na"	23.996494
"1470031"	263.053797	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H+Na"	23.996494
"1062180"	175.704956666667	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2H+Na"	25.00377
"1268231"	535.144586	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+CH3OH+H"	33.033486
"386804"	1043.185358	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+K"	38.963158
"741240"	1545.296458	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+K"	38.963158
"1553135"	541.074258	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+K"	38.963158
"311042"	522.096317	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+H+K"	39.970434
"699451"	773.151867	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+H+K"	39.970434
"1458743"	271.040767	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H+K"	39.970434
"242974"	1046.256026	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+ACN+H"	42.033826
"1220057"	544.144926	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+ACN+H"	42.033826
"1200661"	272.576101	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+ACN+2H"	43.041102
"196810"	1049.19336	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+2Na-H"	44.97116
"639650"	1551.30446	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+2Na-H"	44.97116
"1136597"	547.08226	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2Na-H"	44.97116
"175513"	525.100318	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+2Na"	45.978436
"620907"	776.155868	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+2Na"	45.978436
"1124048"	274.044768	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2Na"	45.978436
"1410853"	183.032270666667	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H+2Na"	46.985712
"1444063"	549.123846	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H+HCOOH"	47.012746
"229386"	530.13334	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+3H2O+2H"	56.04448
"1520729"	563.17589	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+IsoProp+H"	61.06479
"420414"	533.087288	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+Na+K"	61.952376
"774848"	784.142838	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+Na+K"	61.952376
"1679574"	282.031738	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Na+K"	61.952376
"266092"	1068.237968	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+ACN+Na"	64.015768
"1239898"	566.126868	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+ACN+Na"	64.015768
"1725865"	566.150393	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+NH4+HCOOH"	64.039293
"1189760"	190.359584666667	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+3Na"	68.967654
"1662934"	571.105788	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Na+HCOOH"	68.994688
"168701"	1081.14124	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+2K-H"	76.91904
"607533"	1583.25234	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+2K-H"	76.91904
"1097882"	579.03014	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2K-H"	76.91904
"156942"	541.074258	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"2M+2K"	77.926316
"596953"	792.129808	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"3M+2K"	77.926316
"1075131"	290.018708	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2K"	77.926316
"1106155"	581.044692	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2K+H"	78.933592
"1340352"	581.132307	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+DMSO+H"	79.021207
"1011067"	585.171476	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2ACN+H"	83.060376
"1536846"	586.165108	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+IsoProp+Na+H"	84.054008
"1000016"	293.089376	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+2ACN+2H"	84.067652
"1594517"	587.079728	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+K+HCOOH"	84.968628
"1425645"	617.111238	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+H+CF3COOH"	115.000138
"1158120"	313.602651	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+3ACN+2H"	125.094202
"1704391"	634.137785	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+NH4+CF3COOH"	132.026685
"1644415"	639.09318	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+Na+CF3COOH"	136.98208
"1580065"	655.06712	"C16191"	"Malonyldaidzin"	"C24H22O12"	"502.1111"	"M+K+CF3COOH"	152.95602
"801694"	518.106	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M"	0
"989072"	499.08761	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-H2O-H"	-19.01839
"77802"	344.396724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M-3H"	-3.021828
"516874"	517.098724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M-3H"	-3.021828
"888478"	171.694724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-3H"	-3.021828
"9240"	517.098724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M-2H"	-2.014552
"444792"	776.151724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M-2H"	-2.014552
"827697"	258.045724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-2H"	-2.014552
"93651"	1035.204724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M-H"	-1.007276
"533820"	1553.310724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M-H"	-1.007276
"908335"	517.098724	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-H"	-1.007276
"56151"	1052.231271	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M-2H+NH4"	16.019271
"490609"	1570.337271	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M-2H+NH4"	16.019271
"870238"	534.125271	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-2H+NH4"	16.019271
"41418"	1057.186666	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M-2H+Na"	20.974666
"482071"	1575.292666	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M-2H+Na"	20.974666
"858778"	539.080666	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-2H+Na"	20.974666
"1629405"	539.080666	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Na-2H"	20.974666
"105933"	535.087063	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M-H+Cl"	33.962126
"545496"	794.140063	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M-H+Cl"	33.962126
"940106"	276.034063	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-H+Cl"	33.962126
"281948"	1071.181402	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+Cl"	34.969402
"672178"	1589.287402	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+Cl"	34.969402
"1287744"	553.075402	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Cl"	34.969402
"23855"	1073.160606	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M-2H+K"	36.948606
"469615"	1591.266606	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M-2H+K"	36.948606
"843408"	555.054606	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-2H+K"	36.948606
"1561429"	555.054606	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+K-2H"	36.948606
"943155"	563.104194	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-H+HCOOH"	44.998194
"372995"	1081.210201	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+HCOOH-H"	44.998201
"353598"	1095.225851	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+Hac-H"	59.013851
"1502442"	577.119851	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Hac-H"	59.013851
"969981"	585.086151	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-H+NaCOOH"	66.980151
"121074"	553.075402	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+2Cl"	69.938804
"559539"	812.128402	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+2Cl"	69.938804
"1030532"	294.022402	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2Cl"	69.938804
"1245734"	597.024885	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Br"	78.918885
"1308183"	599.080872	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Cl+HCOOH"	80.974872
"1320043"	621.062829	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Cl+NaCOOH"	102.956829
"913455"	631.091586	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M-H+CF3COOH"	112.985586
"1290164"	667.068264	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Cl+CF3COOH"	148.962264
"1379996"	483.093324	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H-2H2O"	-35.012676
"1397006"	501.1033	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H-H2O"	-17.0027
"295355"	1037.219276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+H"	1.007276
"688868"	1555.325276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+H"	1.007276
"1355378"	519.113276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H"	1.007276
"129359"	519.113276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+2H"	2.014552
"568552"	778.166276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+2H"	2.014552
"1044278"	260.060276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2H"	2.014552
"208898"	346.411276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+3H"	3.021828
"653929"	519.113276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+3H"	3.021828
"1170960"	173.709276	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+3H"	3.021828
"437519"	1054.245823	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+NH4"	18.033823
"791958"	1572.351823	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+NH4"	18.033823
"1685008"	536.139823	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+NH4"	18.033823
"340939"	527.6265495	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+H+NH4"	19.041099
"734454"	786.6795495	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+H+NH4"	19.041099
"1486091"	268.5735495	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H+NH4"	19.041099
"404769"	1059.201218	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+Na"	22.989218
"765766"	1577.307218	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+Na"	22.989218
"1613867"	541.095218	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Na"	22.989218
"320622"	530.104247	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+H+Na"	23.996494
"715228"	789.157247	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+H+Na"	23.996494
"1473418"	271.051247	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H+Na"	23.996494
"1065569"	181.03659	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2H+Na"	25.00377
"1263967"	551.139486	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+CH3OH+H"	33.033486
"385821"	1075.175158	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+K"	38.963158
"741350"	1593.281158	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+K"	38.963158
"1552881"	557.069158	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+K"	38.963158
"312244"	538.091217	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+H+K"	39.970434
"699561"	797.144217	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+H+K"	39.970434
"1458853"	279.038217	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H+K"	39.970434
"245271"	1078.245826	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+ACN+H"	42.033826
"1222355"	560.139826	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+ACN+H"	42.033826
"1204416"	280.573551	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+ACN+2H"	43.041102
"199835"	1081.18316	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+2Na-H"	44.97116
"640853"	1599.28916	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+2Na-H"	44.97116
"1136704"	563.07716	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2Na-H"	44.97116
"177810"	541.095218	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+2Na"	45.978436
"620653"	800.148218	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+2Na"	45.978436
"1124158"	282.042218	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2Na"	45.978436
"1409870"	188.363904	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H+2Na"	46.985712
"1443080"	565.118746	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H+HCOOH"	47.012746
"229496"	546.12824	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+3H2O+2H"	56.04448
"1518652"	579.17079	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+IsoProp+H"	61.06479
"419431"	549.082188	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+Na+K"	61.952376
"774958"	808.135188	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+Na+K"	61.952376
"1678957"	290.029188	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Na+K"	61.952376
"264017"	1100.227768	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+ACN+Na"	64.015768
"1238915"	582.121768	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+ACN+Na"	64.015768
"1725612"	582.145293	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+NH4+HCOOH"	64.039293
"1190601"	195.691218	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+3Na"	68.967654
"1660859"	587.100688	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Na+HCOOH"	68.994688
"168083"	1113.13104	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+2K-H"	76.91904
"606914"	1631.23704	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+2K-H"	76.91904
"1098480"	595.02504	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2K-H"	76.91904
"157077"	557.069158	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"2M+2K"	77.926316
"596945"	816.122158	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"3M+2K"	77.926316
"1075241"	298.016158	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2K"	77.926316
"1105171"	597.039592	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2K+H"	78.933592
"1342648"	597.127207	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+DMSO+H"	79.021207
"1011177"	601.166376	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2ACN+H"	83.060376
"1535864"	602.160008	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+IsoProp+Na+H"	84.054008
"1001219"	301.086826	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+2ACN+2H"	84.067652
"1596813"	603.074628	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+K+HCOOH"	84.968628
"1426848"	633.106138	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+H+CF3COOH"	115.000138
"1158230"	321.600101	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+3ACN+2H"	125.094202
"1704501"	650.132685	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+NH4+CF3COOH"	132.026685
"1644525"	655.08808	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+Na+CF3COOH"	136.98208
"1580175"	671.06202	"C16192"	"Malonylgenistin"	"C24H22O13"	"518.106"	"M+K+CF3COOH"	152.95602
"802276"	287.9762	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M"	0
"987360"	268.95781	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H2O-H"	-19.01839
"76332"	190.976857333333	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-3H"	-3.021828
"517718"	286.968924	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-3H"	-3.021828
"888589"	94.9847906666667	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-3H"	-3.021828
"9351"	286.968924	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H"	-2.014552
"450006"	430.957024	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H"	-2.014552
"827807"	142.980824	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H"	-2.014552
"93033"	574.945124	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-H"	-1.007276
"532706"	862.921324	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-H"	-1.007276
"909301"	286.968924	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H"	-1.007276
"51159"	591.971671	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H+NH4"	16.019271
"494728"	879.947871	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H+NH4"	16.019271
"871439"	303.995471	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H+NH4"	16.019271
"34599"	596.927066	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H+Na"	20.974666
"476713"	884.903266	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H+Na"	20.974666
"857795"	308.950866	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H+Na"	20.974666
"1627329"	308.950866	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na-2H"	20.974666
"104950"	304.957263	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-H+Cl"	33.962126
"543420"	448.945363	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-H+Cl"	33.962126
"939488"	160.969163	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+Cl"	33.962126
"282059"	610.921802	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Cl"	34.969402
"669006"	898.898002	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+Cl"	34.969402
"1280317"	322.945602	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl"	34.969402
"25058"	612.901006	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H+K"	36.948606
"470212"	900.877206	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H+K"	36.948606
"844613"	324.924806	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H+K"	36.948606
"1568099"	324.924806	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K-2H"	36.948606
"953796"	332.974394	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+HCOOH"	44.998194
"373105"	620.950601	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+HCOOH-H"	44.998201
"354802"	634.966251	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Hac-H"	59.013851
"1503644"	346.990051	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Hac-H"	59.013851
"967904"	354.956351	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+NaCOOH"	66.980151
"115718"	322.945602	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2Cl"	69.938804
"556369"	466.933702	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2Cl"	69.938804
"1029549"	178.957502	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2Cl"	69.938804
"1245844"	366.895085	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Br"	78.918885
"1307200"	368.951072	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl+HCOOH"	80.974872
"1320193"	390.933029	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl+NaCOOH"	102.956829
"911863"	400.961786	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+CF3COOH"	112.985586
"1288932"	436.938464	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl+CF3COOH"	148.962264
"1377191"	252.963524	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H-2H2O"	-35.012676
"1394321"	270.9735	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H-H2O"	-17.0027
"294372"	576.959676	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H"	1.007276
"687520"	864.935876	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H"	1.007276
"1357671"	288.983476	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H"	1.007276
"128740"	288.983476	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2H"	2.014552
"567932"	432.971576	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2H"	2.014552
"1040016"	144.995376	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2H"	2.014552
"209008"	192.991409333333	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+3H"	3.021828
"650031"	288.983476	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+3H"	3.021828
"1167791"	96.9993426666667	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+3H"	3.021828
"437629"	593.986223	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+NH4"	18.033823
"793161"	881.962423	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+NH4"	18.033823
"1686212"	306.010023	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+NH4"	18.033823
"335582"	297.4967495	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H+NH4"	19.041099
"733472"	441.4848495	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H+NH4"	19.041099
"1487294"	153.5086495	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+NH4"	19.041099
"405245"	598.941618	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Na"	22.989218
"766969"	886.917818	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+Na"	22.989218
"1616529"	310.965418	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na"	22.989218
"325105"	299.974447	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H+Na"	23.996494
"716068"	443.962547	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H+Na"	23.996494
"1473531"	155.986347	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+Na"	23.996494
"1065315"	104.326656666667	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2H+Na"	25.00377
"1265170"	321.009686	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+CH3OH+H"	33.033486
"385931"	614.915558	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+K"	38.963158
"741460"	902.891758	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+K"	38.963158
"1552991"	326.939358	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K"	38.963158
"312354"	307.961417	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H+K"	39.970434
"699671"	451.949517	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H+K"	39.970434
"1458599"	163.973317	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+K"	39.970434
"244289"	617.986226	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+ACN+H"	42.033826
"1222465"	330.010026	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+ACN+H"	42.033826
"1207077"	165.508651	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+ACN+2H"	43.041102
"200309"	620.92356	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2Na-H"	44.97116
"640963"	908.89976	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2Na-H"	44.97116
"1137907"	332.94736	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2Na-H"	44.97116
"177920"	310.965418	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2Na"	45.978436
"618572"	454.953518	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2Na"	45.978436
"1120988"	166.977318	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2Na"	45.978436
"1411076"	111.653970666667	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+2Na"	46.985712
"1442827"	334.988946	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+HCOOH"	47.012746
"231430"	315.99844	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+3H2O+2H"	56.04448
"1517669"	349.04099	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+IsoProp+H"	61.06479
"417354"	318.952388	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Na+K"	61.952376
"776161"	462.940488	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+Na+K"	61.952376
"1680401"	174.964288	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na+K"	61.952376
"266678"	639.968168	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+ACN+Na"	64.015768
"1239754"	351.991968	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+ACN+Na"	64.015768
"1724994"	352.015493	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+NH4+HCOOH"	64.039293
"1189254"	118.981284666667	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+3Na"	68.967654
"1660604"	356.970888	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na+HCOOH"	68.994688
"169286"	652.87144	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2K-H"	76.91904
"609211"	940.84764	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2K-H"	76.91904
"1098591"	364.89524	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2K-H"	76.91904
"156749"	326.939358	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2K"	77.926316
"597035"	470.927458	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2K"	77.926316
"1074257"	182.951258	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2K"	77.926316
"1104187"	366.909792	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2K+H"	78.933592
"1344945"	366.997407	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+DMSO+H"	79.021207
"1016758"	371.036576	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2ACN+H"	83.060376
"1534882"	372.030208	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+IsoProp+Na+H"	84.054008
"1001330"	186.021926	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2ACN+2H"	84.067652
"1598019"	372.944828	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K+HCOOH"	84.968628
"1424772"	402.976338	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+CF3COOH"	115.000138
"1158341"	206.535201	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+3ACN+2H"	125.094202
"1706798"	420.002885	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+NH4+CF3COOH"	132.026685
"1645728"	424.95828	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na+CF3COOH"	136.98208
"1580285"	440.93222	"C16193"	"16-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K+CF3COOH"	152.95602
"810651"	287.9762	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M"	0
"985282"	268.95781	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H2O-H"	-19.01839
"78386"	190.976857333333	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-3H"	-3.021828
"518494"	286.968924	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-3H"	-3.021828
"895353"	94.9847906666667	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-3H"	-3.021828
"14565"	286.968924	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H"	-2.014552
"455624"	430.957024	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H"	-2.014552
"832296"	142.980824	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H"	-2.014552
"93265"	574.945124	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-H"	-1.007276
"534084"	862.921324	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-H"	-1.007276
"910504"	286.968924	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H"	-1.007276
"60749"	591.971671	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H+NH4"	16.019271
"499213"	879.947871	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H+NH4"	16.019271
"875924"	303.995471	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H+NH4"	16.019271
"37626"	596.927066	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H+Na"	20.974666
"485574"	884.903266	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H+Na"	20.974666
"857908"	308.950866	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H+Na"	20.974666
"1629627"	308.950866	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na-2H"	20.974666
"103968"	304.957263	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-H+Cl"	33.962126
"548393"	448.945363	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-H+Cl"	33.962126
"938139"	160.969163	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+Cl"	33.962126
"281559"	610.921802	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Cl"	34.969402
"670209"	898.898002	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+Cl"	34.969402
"1287843"	322.945602	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl"	34.969402
"25168"	612.901006	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M-2H+K"	36.948606
"470566"	900.877206	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M-2H+K"	36.948606
"846909"	324.924806	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-2H+K"	36.948606
"1567115"	324.924806	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K-2H"	36.948606
"946251"	332.974394	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+HCOOH"	44.998194
"373215"	620.950601	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+HCOOH-H"	44.998201
"358192"	634.966251	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Hac-H"	59.013851
"1502657"	346.990051	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Hac-H"	59.013851
"968014"	354.956351	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+NaCOOH"	66.980151
"116922"	322.945602	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2Cl"	69.938804
"558672"	466.933702	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2Cl"	69.938804
"1032940"	178.957502	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2Cl"	69.938804
"1253612"	366.895085	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Br"	78.918885
"1313873"	368.951072	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl+HCOOH"	80.974872
"1323713"	390.933029	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl+NaCOOH"	102.956829
"918052"	400.961786	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M-H+CF3COOH"	112.985586
"1295853"	436.938464	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Cl+CF3COOH"	148.962264
"1380583"	252.963524	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H-2H2O"	-35.012676
"1393703"	270.9735	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H-H2O"	-17.0027
"294482"	576.959676	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H"	1.007276
"686181"	864.935876	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H"	1.007276
"1362893"	288.983476	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H"	1.007276
"131770"	288.983476	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2H"	2.014552
"573519"	432.971576	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2H"	2.014552
"1044506"	144.995376	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2H"	2.014552
"211309"	192.991409333333	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+3H"	3.021828
"650873"	288.983476	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+3H"	3.021828
"1167901"	96.9993426666667	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+3H"	3.021828
"437739"	593.986223	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+NH4"	18.033823
"799831"	881.962423	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+NH4"	18.033823
"1695798"	306.010023	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+NH4"	18.033823
"343713"	297.4967495	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H+NH4"	19.041099
"735770"	441.4848495	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H+NH4"	19.041099
"1491777"	153.5086495	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+NH4"	19.041099
"406448"	598.941618	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Na"	22.989218
"768903"	886.917818	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+Na"	22.989218
"1615908"	310.965418	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na"	22.989218
"324120"	299.974447	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H+Na"	23.996494
"721281"	443.962547	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H+Na"	23.996494
"1475465"	155.986347	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+Na"	23.996494
"1067614"	104.326656666667	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2H+Na"	25.00377
"1267467"	321.009686	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+CH3OH+H"	33.033486
"387135"	614.915558	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+K"	38.963158
"743756"	902.891758	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+K"	38.963158
"1550185"	326.939358	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K"	38.963158
"312464"	307.961417	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+H+K"	39.970434
"699781"	451.949517	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+H+K"	39.970434
"1459071"	163.973317	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+K"	39.970434
"251361"	617.986226	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+ACN+H"	42.033826
"1225575"	330.010026	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+ACN+H"	42.033826
"1209344"	165.508651	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+ACN+2H"	43.041102
"203712"	620.92356	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2Na-H"	44.97116
"643271"	908.89976	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2Na-H"	44.97116
"1146207"	332.94736	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2Na-H"	44.97116
"187637"	310.965418	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2Na"	45.978436
"627319"	454.953518	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2Na"	45.978436
"1130462"	166.977318	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2Na"	45.978436
"1410465"	111.653970666667	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+2Na"	46.985712
"1443307"	334.988946	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+HCOOH"	47.012746
"234947"	315.99844	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+3H2O+2H"	56.04448
"1522886"	349.04099	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+IsoProp+H"	61.06479
"421844"	318.952388	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+Na+K"	61.952376
"783568"	462.940488	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+Na+K"	61.952376
"1675897"	174.964288	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na+K"	61.952376
"264601"	639.968168	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+ACN+Na"	64.015768
"1236589"	351.991968	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+ACN+Na"	64.015768
"1725111"	352.015493	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+NH4+HCOOH"	64.039293
"1191554"	118.981284666667	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+3Na"	68.967654
"1662175"	356.970888	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na+HCOOH"	68.994688
"167942"	652.87144	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2K-H"	76.91904
"607862"	940.84764	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2K-H"	76.91904
"1098700"	364.89524	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2K-H"	76.91904
"155520"	326.939358	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"2M+2K"	77.926316
"596673"	470.927458	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"3M+2K"	77.926316
"1075461"	182.951258	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2K"	77.926316
"1104297"	366.909792	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2K+H"	78.933592
"1342871"	366.997407	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+DMSO+H"	79.021207
"1015774"	371.036576	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2ACN+H"	83.060376
"1538150"	372.030208	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+IsoProp+Na+H"	84.054008
"1000347"	186.021926	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+2ACN+2H"	84.067652
"1598129"	372.944828	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K+HCOOH"	84.968628
"1426704"	402.976338	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+H+CF3COOH"	115.000138
"1158451"	206.535201	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+3ACN+2H"	125.094202
"1706908"	420.002885	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+NH4+CF3COOH"	132.026685
"1645838"	424.95828	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+Na+CF3COOH"	136.98208
"1580395"	440.93222	"C16194"	"26-Naphthalenedisulfonic acid"	"C10H8O6S2"	"287.9762"	"M+K+CF3COOH"	152.95602
"802013"	446.1213	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M"	0
"981018"	427.10291	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-H2O-H"	-19.01839
"73634"	296.406924	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M-3H"	-3.021828
"516475"	445.114024	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M-3H"	-3.021828
"885529"	147.699824	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-3H"	-3.021828
"5195"	445.114024	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H"	-2.014552
"450224"	668.174674	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H"	-2.014552
"824747"	222.053374	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H"	-2.014552
"94065"	891.235324	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M-H"	-1.007276
"530860"	1337.356624	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M-H"	-1.007276
"910856"	445.114024	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-H"	-1.007276
"56483"	908.261871	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+NH4"	16.019271
"498230"	1354.383171	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+NH4"	16.019271
"874939"	462.140571	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H+NH4"	16.019271
"37371"	913.217266	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+Na"	20.974666
"483496"	1359.338566	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+Na"	20.974666
"859110"	467.095966	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H+Na"	20.974666
"1626457"	467.095966	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na-2H"	20.974666
"102985"	463.102363	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M-H+Cl"	33.962126
"547895"	686.163013	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M-H+Cl"	33.962126
"938249"	240.041713	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+Cl"	33.962126
"279724"	927.212002	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Cl"	34.969402
"670319"	1373.333302	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+Cl"	34.969402
"1286370"	481.090702	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl"	34.969402
"25278"	929.191206	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M-2H+K"	36.948606
"470675"	1375.312506	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M-2H+K"	36.948606
"847019"	483.069906	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-2H+K"	36.948606
"1567225"	483.069906	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+K-2H"	36.948606
"946361"	491.119494	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+HCOOH"	44.998194
"372232"	937.240801	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+HCOOH-H"	44.998201
"357209"	951.256451	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Hac-H"	59.013851
"1503860"	505.135151	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Hac-H"	59.013851
"968124"	513.101451	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+NaCOOH"	66.980151
"117032"	481.090702	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2Cl"	69.938804
"562062"	704.151352	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2Cl"	69.938804
"1033780"	258.030052	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2Cl"	69.938804
"1250442"	525.040185	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Br"	78.918885
"1311796"	527.096172	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+HCOOH"	80.974872
"1324916"	549.078129	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+NaCOOH"	102.956829
"918162"	559.106886	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M-H+CF3COOH"	112.985586
"1294141"	595.083564	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Cl+CF3COOH"	148.962264
"1378140"	411.108624	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H-2H2O"	-35.012676
"1394178"	429.1186	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H-H2O"	-17.0027
"292406"	893.249876	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H"	1.007276
"684825"	1339.371176	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H"	1.007276
"1361180"	447.128576	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H"	1.007276
"132974"	447.128576	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2H"	2.014552
"573629"	670.189226	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2H"	2.014552
"1045708"	224.067926	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2H"	2.014552
"211419"	298.421476	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+3H"	3.021828
"648430"	447.128576	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+3H"	3.021828
"1166918"	149.714376	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+3H"	3.021828
"435662"	910.276423	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+NH4"	18.033823
"795568"	1356.397723	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+NH4"	18.033823
"1691898"	464.155123	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+NH4"	18.033823
"340179"	455.6418495	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H+NH4"	19.041099
"732601"	678.7024995	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H+NH4"	19.041099
"1489335"	232.5811995	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+NH4"	19.041099
"404006"	915.231818	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Na"	22.989218
"767187"	1361.353118	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+Na"	22.989218
"1614923"	469.110518	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na"	22.989218
"322044"	458.119547	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H+Na"	23.996494
"719932"	681.180197	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H+Na"	23.996494
"1474846"	235.058897	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+Na"	23.996494
"1065902"	157.04169	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2H+Na"	25.00377
"1267577"	479.154786	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+CH3OH+H"	33.033486
"387246"	931.205758	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+K"	38.963158
"742773"	1377.327058	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+K"	38.963158
"1550295"	485.084458	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+K"	38.963158
"312210"	466.106517	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+H+K"	39.970434
"699891"	689.167167	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+H+K"	39.970434
"1456995"	243.045867	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+K"	39.970434
"251243"	934.276426	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+ACN+H"	42.033826
"1225492"	488.155126	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+H"	42.033826
"1209655"	244.581201	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+2H"	43.041102
"200173"	937.21376	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2Na-H"	44.97116
"640825"	1383.33506	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2Na-H"	44.97116
"1145789"	491.09246	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2Na-H"	44.97116
"187746"	469.110518	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2Na"	45.978436
"627794"	692.171168	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2Na"	45.978436
"1130571"	246.049868	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2Na"	45.978436
"1414014"	164.369004	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+2Na"	46.985712
"1444873"	493.134046	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+HCOOH"	47.012746
"233838"	474.14354	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+3H2O+2H"	56.04448
"1522994"	507.18609	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+H"	61.06479
"423046"	477.097488	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+Na+K"	61.952376
"783674"	700.158138	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+Na+K"	61.952376
"1680010"	254.036838	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na+K"	61.952376
"265073"	956.258368	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+ACN+Na"	64.015768
"1234877"	510.137068	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+ACN+Na"	64.015768
"1720847"	510.160593	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+NH4+HCOOH"	64.039293
"1192029"	171.696318	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+3Na"	68.967654
"1661555"	515.115988	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na+HCOOH"	68.994688
"168416"	969.16164	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2K-H"	76.91904
"607971"	1415.28294	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2K-H"	76.91904
"1098321"	523.04034	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2K-H"	76.91904
"154778"	485.084458	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"2M+2K"	77.926316
"596165"	708.145108	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"3M+2K"	77.926316
"1081040"	262.023808	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2K"	77.926316
"1104407"	525.054892	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2K+H"	78.933592
"1340793"	525.142507	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+DMSO+H"	79.021207
"1014791"	529.181676	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2ACN+H"	83.060376
"1535100"	530.175308	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+IsoProp+Na+H"	84.054008
"996082"	265.094476	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+2ACN+2H"	84.067652
"1597146"	531.089928	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+K+HCOOH"	84.968628
"1425721"	561.121438	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+H+CF3COOH"	115.000138
"1156374"	285.607751	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+3ACN+2H"	125.094202
"1704831"	578.147985	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+NH4+CF3COOH"	132.026685
"1645948"	583.10338	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+Na+CF3COOH"	136.98208
"1580505"	599.07732	"C16195"	"Glycitin;Glycitein 7-O-glucoside"	"C22H22O10"	"446.1213"	"M+K+CF3COOH"	152.95602
"802123"	240.0092	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M"	0
"981128"	220.99081	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-H2O-H"	-19.01839
"75931"	158.998857333333	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M-3H"	-3.021828
"516221"	239.001924	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M-3H"	-3.021828
"888919"	78.9957906666667	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-3H"	-3.021828
"5305"	239.001924	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M-2H"	-2.014552
"450334"	359.006524	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M-2H"	-2.014552
"824857"	118.997324	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-2H"	-2.014552
"93357"	479.011124	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M-H"	-1.007276
"527690"	719.020324	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M-H"	-1.007276
"909871"	239.001924	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-H"	-1.007276
"59874"	496.037671	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M-2H+NH4"	16.019271
"500527"	736.046871	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M-2H+NH4"	16.019271
"875049"	256.028471	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-2H+NH4"	16.019271
"37481"	500.993066	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M-2H+Na"	20.974666
"481420"	741.002266	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M-2H+Na"	20.974666
"855942"	260.983866	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-2H+Na"	20.974666
"1626568"	260.983866	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Na-2H"	20.974666
"102003"	256.990263	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M-H+Cl"	33.962126
"549342"	376.994863	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M-H+Cl"	33.962126
"940546"	136.985663	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-H+Cl"	33.962126
"281900"	514.987802	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+Cl"	34.969402
"673709"	754.997002	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+Cl"	34.969402
"1286115"	274.978602	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Cl"	34.969402
"25388"	516.967006	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M-2H+K"	36.948606
"470419"	756.976206	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M-2H+K"	36.948606
"845669"	276.957806	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-2H+K"	36.948606
"1568428"	276.957806	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+K-2H"	36.948606
"945378"	285.007394	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-H+HCOOH"	44.998194
"372342"	525.016601	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+HCOOH-H"	44.998201
"358412"	539.032251	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+Hac-H"	59.013851
"1502877"	299.023051	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Hac-H"	59.013851
"968234"	306.989351	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-H+NaCOOH"	66.980151
"117142"	274.978602	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+2Cl"	69.938804
"563265"	394.983202	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+2Cl"	69.938804
"1034254"	154.974002	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2Cl"	69.938804
"1252739"	318.928085	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Br"	78.918885
"1311906"	320.984072	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Cl+HCOOH"	80.974872
"1323568"	342.966029	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Cl+NaCOOH"	102.956829
"917179"	352.994786	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M-H+CF3COOH"	112.985586
"1294615"	388.971464	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Cl+CF3COOH"	148.962264
"1378250"	204.996524	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H-2H2O"	-35.012676
"1393559"	223.0065	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H-H2O"	-17.0027
"293609"	481.025676	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+H"	1.007276
"684935"	721.034876	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+H"	1.007276
"1362018"	241.016476	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H"	1.007276
"134177"	241.016476	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+2H"	2.014552
"571915"	361.021076	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+2H"	2.014552
"1043995"	121.011876	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2H"	2.014552
"208249"	161.013409333333	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+3H"	3.021828
"647447"	241.016476	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+3H"	3.021828
"1168121"	81.0103426666667	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+3H"	3.021828
"435772"	498.052223	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+NH4"	18.033823
"794588"	738.061423	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+NH4"	18.033823
"1693103"	258.043023	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+NH4"	18.033823
"341382"	249.5297495	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+H+NH4"	19.041099
"733802"	369.5343495	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+H+NH4"	19.041099
"1489808"	129.5251495	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H+NH4"	19.041099
"405938"	503.007618	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+Na"	22.989218
"767296"	743.016818	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+Na"	22.989218
"1615397"	262.998418	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Na"	22.989218
"322154"	252.007447	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+H+Na"	23.996494
"721135"	372.012047	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+H+Na"	23.996494
"1474957"	132.002847	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H+Na"	23.996494
"1065284"	88.3376566666667	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2H+Na"	25.00377
"1266960"	273.042686	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+CH3OH+H"	33.033486
"388086"	518.981558	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+K"	38.963158
"746163"	758.990758	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+K"	38.963158
"1549312"	278.972358	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+K"	38.963158
"310862"	259.994417	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+H+K"	39.970434
"700001"	379.999017	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+H+K"	39.970434
"1458927"	139.989817	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H+K"	39.970434
"250458"	522.052226	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+ACN+H"	42.033826
"1225400"	282.043026	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+ACN+H"	42.033826
"1209483"	141.525151	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+ACN+2H"	43.041102
"198096"	524.98956	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+2Na-H"	44.97116
"640935"	764.99876	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+2Na-H"	44.97116
"1144807"	284.98036	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2Na-H"	44.97116
"187614"	262.998418	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+2Na"	45.978436
"627176"	383.003018	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+2Na"	45.978436
"1129589"	142.993818	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2Na"	45.978436
"1413355"	95.6649706666667	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H+2Na"	46.985712
"1444134"	287.021946	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H+HCOOH"	47.012746
"234677"	268.03144	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+3H2O+2H"	56.04448
"1517997"	301.07399	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+IsoProp+H"	61.06479
"423156"	270.985388	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+Na+K"	61.952376
"784275"	390.989988	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+Na+K"	61.952376
"1679391"	150.980788	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Na+K"	61.952376
"262633"	544.034168	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+ACN+Na"	64.015768
"1238622"	304.024968	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+ACN+Na"	64.015768
"1723136"	304.048493	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+NH4+HCOOH"	64.039293
"1190316"	102.992284666667	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+3Na"	68.967654
"1660572"	309.003888	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Na+HCOOH"	68.994688
"167432"	556.93744	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+2K-H"	76.91904
"606988"	796.94664	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+2K-H"	76.91904
"1088218"	316.92824	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2K-H"	76.91904
"153795"	278.972358	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"2M+2K"	77.926316
"596395"	398.976958	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"3M+2K"	77.926316
"1083215"	158.967758	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2K"	77.926316
"1114967"	318.942792	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2K+H"	78.933592
"1349288"	319.030407	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+DMSO+H"	79.021207
"1014901"	323.069576	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2ACN+H"	83.060376
"1535210"	324.063208	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+IsoProp+Na+H"	84.054008
"997286"	162.038426	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+2ACN+2H"	84.067652
"1598350"	324.977828	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+K+HCOOH"	84.968628
"1426195"	355.009338	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+H+CF3COOH"	115.000138
"1157577"	182.551701	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+3ACN+2H"	125.094202
"1704941"	372.035885	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+NH4+CF3COOH"	132.026685
"1646058"	376.99128	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+Na+CF3COOH"	136.98208
"1580615"	392.96522	"C16196"	"12-Dihydroxynaphthalene-6-sulfonate"	"C10H8O5S"	"240.0092"	"M+K+CF3COOH"	152.95602
"802232"	532.1217	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M"	0
"980145"	513.10331	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-H2O-H"	-19.01839
"73854"	353.740524	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M-3H"	-3.021828
"515602"	531.114424	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M-3H"	-3.021828
"885749"	176.366624	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-3H"	-3.021828
"5415"	531.114424	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M-2H"	-2.014552
"450444"	797.175274	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M-2H"	-2.014552
"824967"	265.053574	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-2H"	-2.014552
"91523"	1063.236124	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M-H"	-1.007276
"527800"	1595.357824	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M-H"	-1.007276
"906702"	531.114424	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-H"	-1.007276
"57797"	1080.262671	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M-2H+NH4"	16.019271
"498451"	1612.384371	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M-2H+NH4"	16.019271
"871879"	548.140971	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-2H+NH4"	16.019271
"37591"	1085.218066	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M-2H+Na"	20.974666
"476426"	1617.339766	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M-2H+Na"	20.974666
"855322"	553.096366	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-2H+Na"	20.974666
"1625585"	553.096366	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Na-2H"	20.974666
"103206"	549.102763	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M-H+Cl"	33.962126
"538388"	815.163613	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M-H+Cl"	33.962126
"935187"	283.041913	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-H+Cl"	33.962126
"274836"	1099.212802	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+Cl"	34.969402
"663976"	1631.334502	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+Cl"	34.969402
"1277471"	567.091102	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Cl"	34.969402
"21121"	1101.192006	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M-2H+K"	36.948606
"458129"	1633.313706	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M-2H+K"	36.948606
"843955"	569.070306	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-2H+K"	36.948606
"1569631"	569.070306	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+K-2H"	36.948606
"945488"	577.119894	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-H+HCOOH"	44.998194
"372452"	1109.241601	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+HCOOH-H"	44.998201
"356335"	1123.257251	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+Hac-H"	59.013851
"1502987"	591.135551	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Hac-H"	59.013851
"969437"	599.101851	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-H+NaCOOH"	66.980151
"123692"	567.091102	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+2Cl"	69.938804
"563375"	833.151952	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+2Cl"	69.938804
"1029987"	301.030252	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2Cl"	69.938804
"1252849"	611.040585	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Br"	78.918885
"1312016"	613.096572	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Cl+HCOOH"	80.974872
"1324043"	635.078529	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Cl+NaCOOH"	102.956829
"918383"	645.107286	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M-H+CF3COOH"	112.985586
"1295090"	681.083964	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Cl+CF3COOH"	148.962264
"1378726"	497.109024	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H-2H2O"	-35.012676
"1394033"	515.119	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H-H2O"	-17.0027
"293721"	1065.250676	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+H"	1.007276
"686138"	1597.372376	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+H"	1.007276
"1361035"	533.128976	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H"	1.007276
"134287"	533.128976	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+2H"	2.014552
"572754"	799.189826	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+2H"	2.014552
"1043741"	267.068126	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2H"	2.014552
"208359"	355.755076	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+3H"	3.021828
"647922"	533.128976	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+3H"	3.021828
"1166409"	178.381176	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+3H"	3.021828
"434789"	1082.277223	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+NH4"	18.033823
"791417"	1614.398923	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+NH4"	18.033823
"1688841"	550.155523	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+NH4"	18.033823
"338940"	541.6422495	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+H+NH4"	19.041099
"732454"	807.7030995	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+H+NH4"	19.041099
"1486275"	275.5813995	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H+NH4"	19.041099
"400947"	1087.232618	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+Na"	22.989218
"763399"	1619.354318	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+Na"	22.989218
"1608947"	555.110918	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Na"	22.989218
"318983"	544.119947	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+H+Na"	23.996494
"715776"	810.180797	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+H+Na"	23.996494
"1471783"	278.059097	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H+Na"	23.996494
"1062840"	185.70849	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2H+Na"	25.00377
"1261237"	565.155186	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+CH3OH+H"	33.033486
"384186"	1103.206558	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+K"	38.963158
"739102"	1635.328258	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+K"	38.963158
"1549422"	571.084858	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+K"	38.963158
"310972"	552.106917	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+H+K"	39.970434
"700111"	818.167767	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+H+K"	39.970434
"1458673"	286.046067	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H+K"	39.970434
"246910"	1106.277226	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+ACN+H"	42.033826
"1224003"	574.155526	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+ACN+H"	42.033826
"1208245"	287.581401	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+ACN+2H"	43.041102
"200027"	1109.21456	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+2Na-H"	44.97116
"642622"	1641.33626	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+2Na-H"	44.97116
"1141629"	577.09286	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2Na-H"	44.97116
"181638"	555.110918	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+2Na"	45.978436
"624481"	821.171768	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+2Na"	45.978436
"1129455"	289.050068	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2Na"	45.978436
"1412611"	193.035804	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H+2Na"	46.985712
"1442537"	579.134446	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H+HCOOH"	47.012746
"233206"	560.14394	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+3H2O+2H"	56.04448
"1518107"	593.18649	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+IsoProp+H"	61.06479
"417790"	563.097888	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+Na+K"	61.952376
"779882"	829.158738	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+Na+K"	61.952376
"1676584"	297.037038	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Na+K"	61.952376
"264566"	1128.259168	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+ACN+Na"	64.015768
"1237638"	596.137468	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+ACN+Na"	64.015768
"1724338"	596.160993	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+NH4+HCOOH"	64.039293
"1188603"	200.363118	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+3Na"	68.967654
"1658494"	601.116388	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Na+HCOOH"	68.994688
"167542"	1141.16244	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+2K-H"	76.91904
"607098"	1673.28414	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+2K-H"	76.91904
"1088328"	609.04074	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2K-H"	76.91904
"154633"	571.084858	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"2M+2K"	77.926316
"594560"	837.145708	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"3M+2K"	77.926316
"1082961"	305.024008	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2K"	77.926316
"1114712"	611.055292	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2K+H"	78.933592
"1349763"	611.142907	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+DMSO+H"	79.021207
"1017197"	615.182076	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2ACN+H"	83.060376
"1536413"	616.175708	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+IsoProp+Na+H"	84.054008
"998490"	308.094676	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+2ACN+2H"	84.067652
"1599554"	617.090328	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+K+HCOOH"	84.968628
"1426305"	647.121838	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+H+CF3COOH"	115.000138
"1157687"	328.607951	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+3ACN+2H"	125.094202
"1705051"	664.148385	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+NH4+CF3COOH"	132.026685
"1646168"	669.10378	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+Na+CF3COOH"	136.98208
"1580725"	685.07772	"C16197"	"Malonylglycitin"	"C25H24O13"	"532.1217"	"M+K+CF3COOH"	152.95602
"802343"	271.9991	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M"	0
"983535"	252.98071	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-H2O-H"	-19.01839
"75058"	180.325457333333	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M-3H"	-3.021828
"514619"	270.991824	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M-3H"	-3.021828
"886952"	89.6590906666667	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-3H"	-3.021828
"3338"	270.991824	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M-2H"	-2.014552
"447274"	406.991374	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M-2H"	-2.014552
"822891"	134.992274	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-2H"	-2.014552
"90535"	542.990924	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M-H"	-1.007276
"524630"	814.990024	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M-H"	-1.007276
"908998"	270.991824	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-H"	-1.007276
"59001"	560.017471	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M-2H+NH4"	16.019271
"497467"	832.016571	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M-2H+NH4"	16.019271
"868709"	288.018371	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-2H+NH4"	16.019271
"37701"	564.972866	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M-2H+Na"	20.974666
"477265"	836.971966	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M-2H+Na"	20.974666
"858346"	292.973766	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-2H+Na"	20.974666
"1626787"	292.973766	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Na-2H"	20.974666
"102222"	288.980163	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M-H+Cl"	33.962126
"540685"	424.979713	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M-H+Cl"	33.962126
"935297"	152.980613	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-H+Cl"	33.962126
"274946"	578.967602	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+Cl"	34.969402
"666272"	850.966702	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+Cl"	34.969402
"1276851"	306.968502	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Cl"	34.969402
"21231"	580.946806	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M-2H+K"	36.948606
"459700"	852.945906	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M-2H+K"	36.948606
"844065"	308.947706	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-2H+K"	36.948606
"1568283"	308.947706	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+K-2H"	36.948606
"946691"	316.997294	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-H+HCOOH"	44.998194
"372562"	588.996401	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+HCOOH-H"	44.998201
"355352"	603.012051	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+Hac-H"	59.013851
"1503097"	331.012951	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Hac-H"	59.013851
"968454"	338.979251	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-H+NaCOOH"	66.980151
"123923"	306.968502	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+2Cl"	69.938804
"563485"	442.968052	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+2Cl"	69.938804
"1030097"	170.968952	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2Cl"	69.938804
"1252959"	350.917985	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Br"	78.918885
"1311033"	352.973972	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Cl+HCOOH"	80.974872
"1325246"	374.955929	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Cl+NaCOOH"	102.956829
"918493"	384.984686	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M-H+CF3COOH"	112.985586
"1295200"	420.961364	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Cl+CF3COOH"	148.962264
"1378836"	236.986424	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H-2H2O"	-35.012676
"1394143"	254.9964	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H-H2O"	-17.0027
"294921"	545.005476	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+H"	1.007276
"682968"	817.004576	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+H"	1.007276
"1362600"	273.006376	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H"	1.007276
"135490"	273.006376	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+2H"	2.014552
"575050"	409.005926	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+2H"	2.014552
"1046037"	137.006826	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2H"	2.014552
"209562"	182.340009333333	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+3H"	3.021828
"650218"	273.006376	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+3H"	3.021828
"1166518"	91.6736426666667	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+3H"	3.021828
"435628"	562.032023	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+NH4"	18.033823
"791527"	834.031123	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+NH4"	18.033823
"1690773"	290.032923	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+NH4"	18.033823
"339779"	281.5196495	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+H+NH4"	19.041099
"730743"	417.5191995	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+H+NH4"	19.041099
"1484565"	145.5200995	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H+NH4"	19.041099
"399965"	566.987418	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+Na"	22.989218
"759867"	838.986518	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+Na"	22.989218
"1610151"	294.988318	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Na"	22.989218
"318000"	283.997347	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+H+Na"	23.996494
"714792"	419.996897	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+H+Na"	23.996494
"1471892"	147.997797	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H+Na"	23.996494
"1059670"	99.0009566666667	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2H+Na"	25.00377
"1262440"	305.032586	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+CH3OH+H"	33.033486
"382109"	582.961358	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+K"	38.963158
"739458"	854.960458	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+K"	38.963158
"1549532"	310.962258	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+K"	38.963158
"311082"	291.984317	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+H+K"	39.970434
"696941"	427.983867	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+H+K"	39.970434
"1458418"	155.984767	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H+K"	39.970434
"243740"	586.032026	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+ACN+H"	42.033826
"1223262"	314.032926	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+ACN+H"	42.033826
"1208477"	157.520101	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+ACN+2H"	43.041102
"200866"	588.96936	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+2Na-H"	44.97116
"642733"	860.96846	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+2Na-H"	44.97116
"1140645"	316.97026	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2Na-H"	44.97116
"179561"	294.988318	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+2Na"	45.978436
"622404"	430.987868	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+2Na"	45.978436
"1118981"	158.988768	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2Na"	45.978436
"1401043"	106.328270666667	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H+2Na"	46.985712
"1443013"	319.011846	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H+HCOOH"	47.012746
"233437"	300.02134	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+3H2O+2H"	56.04448
"1518217"	333.06389	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+IsoProp+H"	61.06479
"417901"	302.975288	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+Na+K"	61.952376
"779992"	438.974838	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+Na+K"	61.952376
"1675236"	166.975738	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Na+K"	61.952376
"262484"	608.013968	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+ACN+Na"	64.015768
"1238841"	336.014868	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+ACN+Na"	64.015768
"1723349"	336.038393	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+NH4+HCOOH"	64.039293
"1189801"	113.655584666667	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+3Na"	68.967654
"1659329"	340.993788	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Na+HCOOH"	68.994688
"167652"	620.91724	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+2K-H"	76.91904
"607208"	892.91634	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+2K-H"	76.91904
"1088438"	348.91814	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2K-H"	76.91904
"155836"	310.962258	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"2M+2K"	77.926316
"595642"	446.961808	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"3M+2K"	77.926316
"1081370"	174.962708	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2K"	77.926316
"1113484"	350.932692	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2K+H"	78.933592
"1348779"	351.020307	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+DMSO+H"	79.021207
"1016211"	355.059476	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2ACN+H"	83.060376
"1533244"	356.053108	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+IsoProp+Na+H"	84.054008
"1000786"	178.033376	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+2ACN+2H"	84.067652
"1600754"	356.967728	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+K+HCOOH"	84.968628
"1422040"	386.999238	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+H+CF3COOH"	115.000138
"1154516"	198.546651	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+3ACN+2H"	125.094202
"1705161"	404.025785	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+NH4+CF3COOH"	132.026685
"1646278"	408.98118	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+Na+CF3COOH"	136.98208
"1580835"	424.95512	"C16198"	"(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate"	"C10H8O7S"	"271.9991"	"M+K+CF3COOH"	152.95602
"804640"	217.9885	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M"	0
"985832"	198.97011	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-H2O-H"	-19.01839
"76261"	144.318390666667	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M-3H"	-3.021828
"514727"	216.981224	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M-3H"	-3.021828
"890343"	71.6555573333333	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-3H"	-3.021828
"5635"	216.981224	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M-2H"	-2.014552
"448478"	325.975474	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M-2H"	-2.014552
"823001"	107.986974	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-2H"	-2.014552
"81168"	434.969724	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M-H"	-1.007276
"524740"	652.958224	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M-H"	-1.007276
"910812"	216.981224	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-H"	-1.007276
"58019"	451.996271	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M-2H+NH4"	16.019271
"499763"	669.984771	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M-2H+NH4"	16.019271
"877199"	234.007771	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-2H+NH4"	16.019271
"41089"	456.951666	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M-2H+Na"	20.974666
"479563"	674.940166	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M-2H+Na"	20.974666
"857365"	238.963166	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-2H+Na"	20.974666
"1627992"	238.963166	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Na-2H"	20.974666
"102332"	234.969563	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M-H+Cl"	33.962126
"541889"	343.963813	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M-H+Cl"	33.962126
"935407"	125.975313	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-H+Cl"	33.962126
"275056"	470.946402	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+Cl"	34.969402
"665289"	688.934902	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+Cl"	34.969402
"1276961"	252.957902	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Cl"	34.969402
"20248"	472.925606	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M-2H+K"	36.948606
"459810"	690.914106	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M-2H+K"	36.948606
"844175"	254.937106	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-2H+K"	36.948606
"1566570"	254.937106	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+K-2H"	36.948606
"948989"	262.986694	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-H+HCOOH"	44.998194
"369392"	480.975201	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+HCOOH-H"	44.998201
"354369"	494.990851	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+Hac-H"	59.013851
"1505396"	277.002351	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Hac-H"	59.013851
"969658"	284.968651	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-H+NaCOOH"	66.980151
"124403"	252.957902	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+2Cl"	69.938804
"564689"	361.952152	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+2Cl"	69.938804
"1030207"	143.963652	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2Cl"	69.938804
"1255257"	296.907385	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Br"	78.918885
"1314423"	298.963372	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Cl+HCOOH"	80.974872
"1325357"	320.945329	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Cl+NaCOOH"	102.956829
"919696"	330.974086	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M-H+CF3COOH"	112.985586
"1296404"	366.950764	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Cl+CF3COOH"	148.962264
"1380037"	182.975824	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H-2H2O"	-35.012676
"1393889"	200.9858	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H-H2O"	-17.0027
"292845"	436.984276	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+H"	1.007276
"689276"	654.972776	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+H"	1.007276
"1361253"	218.995776	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H"	1.007276
"131225"	218.995776	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+2H"	2.014552
"568962"	327.990026	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+2H"	2.014552
"1041771"	110.001526	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2H"	2.014552
"211859"	146.332942666667	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+3H"	3.021828
"650327"	218.995776	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+3H"	3.021828
"1175013"	73.6701093333333	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+3H"	3.021828
"430634"	454.010823	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+NH4"	18.033823
"797105"	671.999323	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+NH4"	18.033823
"1691249"	236.022323	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+NH4"	18.033823
"341713"	227.5090495	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+H+NH4"	19.041099
"734863"	336.5032995	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+H+NH4"	19.041099
"1486862"	118.5147995	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H+NH4"	19.041099
"402263"	458.966218	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+Na"	22.989218
"765445"	676.954718	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+Na"	22.989218
"1614634"	240.977718	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Na"	22.989218
"320296"	229.986747	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+H+Na"	23.996494
"718184"	338.980997	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+H+Na"	23.996494
"1472003"	120.992497	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H+Na"	23.996494
"1059781"	80.9974233333333	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2H+Na"	25.00377
"1266925"	251.021986	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+CH3OH+H"	33.033486
"385500"	474.940158	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+K"	38.963158
"743215"	692.928658	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+K"	38.963158
"1549642"	256.951658	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+K"	38.963158
"311192"	237.973717	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+H+K"	39.970434
"698146"	346.967967	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+H+K"	39.970434
"1457435"	128.979467	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H+K"	39.970434
"246037"	478.010826	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+ACN+H"	42.033826
"1225195"	260.022326	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+ACN+H"	42.033826
"1209074"	130.514801	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+ACN+2H"	43.041102
"199881"	480.94816	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+2Na-H"	44.97116
"642720"	698.93666	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+2Na-H"	44.97116
"1139662"	262.95966	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2Na-H"	44.97116
"180766"	240.977718	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+2Na"	45.978436
"622514"	349.971968	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+2Na"	45.978436
"1123831"	131.983468	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2Na"	45.978436
"1401522"	88.3247373333333	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H+2Na"	46.985712
"1443487"	265.001246	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H+HCOOH"	47.012746
"234644"	246.01074	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+3H2O+2H"	56.04448
"1522948"	279.05329	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+IsoProp+H"	61.06479
"419105"	248.964688	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+Na+K"	61.952376
"780102"	357.958938	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+Na+K"	61.952376
"1676435"	139.970438	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Na+K"	61.952376
"263684"	499.992768	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+ACN+Na"	64.015768
"1234572"	282.004268	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+ACN+Na"	64.015768
"1721270"	282.027793	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+NH4+HCOOH"	64.039293
"1186626"	95.6520513333333	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+3Na"	68.967654
"1657613"	286.983188	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Na+HCOOH"	68.994688
"167761"	512.89604	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+2K-H"	76.91904
"607318"	730.88454	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+2K-H"	76.91904
"1090735"	294.90754	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2K-H"	76.91904
"156994"	256.951658	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"2M+2K"	77.926316
"597052"	365.945908	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"3M+2K"	77.926316
"1084080"	147.957408	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2K"	77.926316
"1115298"	296.922092	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2K+H"	78.933592
"1348889"	297.009707	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+DMSO+H"	79.021207
"1019601"	301.048876	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2ACN+H"	83.060376
"1536633"	302.042508	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+IsoProp+Na+H"	84.054008
"1003082"	151.028076	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+2ACN+2H"	84.067652
"1601837"	302.957128	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+K+HCOOH"	84.968628
"1427618"	332.988638	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+H+CF3COOH"	115.000138
"1157905"	171.541351	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+3ACN+2H"	125.094202
"1708551"	350.015185	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+NH4+CF3COOH"	132.026685
"1646388"	354.97058	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+Na+CF3COOH"	136.98208
"1580945"	370.94452	"C16199"	"5-Sulfosalicylate;Sulfosalicylic acid"	"C7H6O6S"	"217.9885"	"M+K+CF3COOH"	152.95602
"805843"	122.0539	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M"	0
"989101"	103.03551	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-H2O-H"	-19.01839
"77103"	80.3619906666667	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M-3H"	-3.021828
"517027"	121.046624	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M-3H"	-3.021828
"892640"	39.6773573333333	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-3H"	-3.021828
"10121"	121.046624	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M-2H"	-2.014552
"451868"	182.073574	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M-2H"	-2.014552
"826391"	60.019674	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-2H"	-2.014552
"88569"	243.100524	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M-H"	-1.007276
"523757"	365.154424	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M-H"	-1.007276
"910637"	121.046624	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-H"	-1.007276
"60313"	260.127071	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M-2H+NH4"	16.019271
"498778"	382.180971	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M-2H+NH4"	16.019271
"878402"	138.073171	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-2H+NH4"	16.019271
"41199"	265.082466	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M-2H+Na"	20.974666
"481859"	387.136366	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M-2H+Na"	20.974666
"861847"	143.028566	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-2H+Na"	20.974666
"1631382"	143.028566	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Na-2H"	20.974666
"105722"	139.034963	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M-H+Cl"	33.962126
"544185"	200.061913	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M-H+Cl"	33.962126
"938796"	78.008013	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-H+Cl"	33.962126
"274072"	279.077202	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+Cl"	34.969402
"668679"	401.131102	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+Cl"	34.969402
"1281081"	157.023302	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Cl"	34.969402
"21451"	281.056406	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M-2H+K"	36.948606
"461013"	403.110306	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M-2H+K"	36.948606
"844285"	159.002506	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-2H+K"	36.948606
"1565586"	159.002506	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+K-2H"	36.948606
"949099"	167.052094	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-H+HCOOH"	44.998194
"370595"	289.106001	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+HCOOH-H"	44.998201
"354479"	303.121651	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+Hac-H"	59.013851
"1505505"	181.067751	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Hac-H"	59.013851
"973414"	189.034051	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-H+NaCOOH"	66.980151
"123057"	157.023302	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+2Cl"	69.938804
"563706"	218.050252	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+2Cl"	69.938804
"1031410"	95.996352	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2Cl"	69.938804
"1252080"	200.972785	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Br"	78.918885
"1315627"	203.028772	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Cl+HCOOH"	80.974872
"1328748"	225.010729	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Cl+NaCOOH"	102.956829
"920899"	235.039486	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M-H+CF3COOH"	112.985586
"1296513"	271.016164	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Cl+CF3COOH"	148.962264
"1377962"	87.041224	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H-2H2O"	-35.012676
"1391083"	105.0512	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H-H2O"	-17.0027
"290771"	245.115076	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+H"	1.007276
"687200"	367.168976	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+H"	1.007276
"1357355"	123.061176	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H"	1.007276
"131338"	123.061176	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+2H"	2.014552
"571989"	184.088126	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+2H"	2.014552
"1042976"	62.034226	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2H"	2.014552
"214157"	82.3765426666667	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+3H"	3.021828
"653718"	123.061176	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+3H"	3.021828
"1175124"	41.6919093333333	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+3H"	3.021828
"432931"	262.141623	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+NH4"	18.033823
"797215"	384.195523	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+NH4"	18.033823
"1690266"	140.087723	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+NH4"	18.033823
"341826"	131.5744495	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+H+NH4"	19.041099
"735338"	192.6013995	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+H+NH4"	19.041099
"1488065"	70.5474995	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H+NH4"	19.041099
"403467"	267.097018	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+Na"	22.989218
"766647"	389.150918	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+Na"	22.989218
"1615839"	145.043118	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Na"	22.989218
"325876"	134.052147	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+H+Na"	23.996494
"721574"	195.079097	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+H+Na"	23.996494
"1472115"	73.025197	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H+Na"	23.996494
"1057706"	49.0192233333333	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2H+Na"	25.00377
"1267036"	155.087386	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+CH3OH+H"	33.033486
"384517"	283.070958	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+K"	38.963158
"743325"	405.124858	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+K"	38.963158
"1549752"	161.017058	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+K"	38.963158
"311302"	142.039117	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+H+K"	39.970434
"699349"	203.066067	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+H+K"	39.970434
"1458274"	81.012167	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H+K"	39.970434
"246147"	286.141626	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+ACN+H"	42.033826
"1222137"	164.087726	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+ACN+H"	42.033826
"1208940"	82.547501	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+ACN+2H"	43.041102
"203150"	289.07896	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+2Na-H"	44.97116
"644045"	411.13286	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+2Na-H"	44.97116
"1141959"	167.02506	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2Na-H"	44.97116
"180876"	145.043118	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+2Na"	45.978436
"622624"	206.070068	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+2Na"	45.978436
"1123212"	84.016168	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2Na"	45.978436
"1401996"	56.3465373333333	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H+2Na"	46.985712
"1445380"	169.066646	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H+HCOOH"	47.012746
"235361"	150.07614	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+3H2O+2H"	56.04448
"1522814"	183.11869	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+IsoProp+H"	61.06479
"420309"	153.030088	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+Na+K"	61.952376
"779119"	214.057038	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+Na+K"	61.952376
"1676545"	92.003138	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Na+K"	61.952376
"264159"	308.123568	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+ACN+Na"	64.015768
"1235775"	186.069668	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+ACN+Na"	64.015768
"1721381"	186.093193	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+NH4+HCOOH"	64.039293
"1187830"	63.6738513333333	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+3Na"	68.967654
"1657719"	191.048588	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Na+HCOOH"	68.994688
"168964"	321.02684	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+2K-H"	76.91904
"608521"	443.08074	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+2K-H"	76.91904
"1090845"	198.97294	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2K-H"	76.91904
"155207"	161.017058	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"2M+2K"	77.926316
"595378"	222.044008	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"3M+2K"	77.926316
"1082321"	99.990108	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2K"	77.926316
"1115166"	200.987492	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2K+H"	78.933592
"1345718"	201.075107	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+DMSO+H"	79.021207
"1014246"	205.114276	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2ACN+H"	83.060376
"1532371"	206.107908	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+IsoProp+Na+H"	84.054008
"998821"	103.060776	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+2ACN+2H"	84.067652
"1597697"	207.022528	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+K+HCOOH"	84.968628
"1425542"	237.054038	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+H+CF3COOH"	115.000138
"1158015"	123.574051	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+3ACN+2H"	125.094202
"1710848"	254.080585	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+NH4+CF3COOH"	132.026685
"1646498"	259.03598	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+Na+CF3COOH"	136.98208
"1581055"	275.00992	"C16200"	"Phenylboronic acid;Benzeneboronic acid"	"C6H7BO2"	"122.0539"	"M+K+CF3COOH"	152.95602
"802673"	208.0194	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M"	0
"984958"	189.00101	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-H2O-H"	-19.01839
"76481"	137.672324	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M-3H"	-3.021828
"516771"	207.012124	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M-3H"	-3.021828
"892749"	68.332524	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-3H"	-3.021828
"5856"	207.012124	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H"	-2.014552
"447604"	311.021824	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H"	-2.014552
"824314"	103.002424	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H"	-2.014552
"89772"	415.031524	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M-H"	-1.007276
"527147"	623.050924	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M-H"	-1.007276
"909327"	207.012124	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-H"	-1.007276
"58237"	432.058071	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H+NH4"	16.019271
"497795"	640.077471	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H+NH4"	16.019271
"875597"	224.038671	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H+NH4"	16.019271
"38029"	437.013466	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H+Na"	20.974666
"483062"	645.032866	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H+Na"	20.974666
"860864"	228.994066	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H+Na"	20.974666
"1630399"	228.994066	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na-2H"	20.974666
"102550"	225.000463	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M-H+Cl"	33.962126
"544295"	329.010163	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M-H+Cl"	33.962126
"937813"	120.990763	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+Cl"	33.962126
"274182"	451.008202	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Cl"	34.969402
"669883"	659.027602	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+Cl"	34.969402
"1281192"	242.988802	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl"	34.969402
"22655"	452.987406	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H+K"	36.948606
"460030"	661.006806	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H+K"	36.948606
"844395"	244.968006	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H+K"	36.948606
"1564603"	244.968006	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+K-2H"	36.948606
"949573"	253.017594	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+HCOOH"	44.998194
"369612"	461.037001	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+HCOOH-H"	44.998201
"356781"	475.052651	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Hac-H"	59.013851
"1505615"	267.033251	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Hac-H"	59.013851
"969883"	274.999551	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+NaCOOH"	66.980151
"119883"	242.988802	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2Cl"	69.938804
"563091"	346.998502	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2Cl"	69.938804
"1033706"	138.979102	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2Cl"	69.938804
"1247088"	286.938285	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Br"	78.918885
"1315737"	288.994272	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl+HCOOH"	80.974872
"1327034"	310.976229	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl+NaCOOH"	102.956829
"919919"	321.004986	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+CF3COOH"	112.985586
"1296625"	356.981664	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl+CF3COOH"	148.962264
"1378072"	173.006724	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H-2H2O"	-35.012676
"1393015"	191.0167	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H-H2O"	-17.0027
"290882"	417.046076	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H"	1.007276
"686945"	625.065476	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H"	1.007276
"1359287"	209.026676	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H"	1.007276
"130719"	209.026676	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2H"	2.014552
"571006"	313.036376	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2H"	2.014552
"1041267"	105.016976	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2H"	2.014552
"209895"	139.686876	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+3H"	3.021828
"650548"	209.026676	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+3H"	3.021828
"1171954"	70.347076	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+3H"	3.021828
"430851"	434.072623	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+NH4"	18.033823
"797324"	642.092023	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+NH4"	18.033823
"1693658"	226.053223	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+NH4"	18.033823
"339749"	217.5399495	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H+NH4"	19.041099
"732168"	321.5496495	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H+NH4"	19.041099
"1490727"	113.5302495	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+NH4"	19.041099
"404670"	439.028018	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Na"	22.989218
"765665"	647.047418	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+Na"	22.989218
"1617043"	231.008618	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na"	22.989218
"325986"	220.017647	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H+Na"	23.996494
"720592"	324.027347	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H+Na"	23.996494
"1474412"	116.007947	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+Na"	23.996494
"1061097"	77.67439	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2H+Na"	25.00377
"1267148"	241.052886	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+CH3OH+H"	33.033486
"387909"	455.001958	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+K"	38.963158
"747810"	663.021358	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+K"	38.963158
"1548769"	246.982558	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+K"	38.963158
"312508"	228.004617	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H+K"	39.970434
"705657"	332.014317	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H+K"	39.970434
"1458748"	123.994917	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+K"	39.970434
"249173"	458.072626	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+ACN+H"	42.033826
"1223343"	250.053226	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+ACN+H"	42.033826
"1208323"	125.530251	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+ACN+2H"	43.041102
"203260"	461.00996	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2Na-H"	44.97116
"642698"	669.02936	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2Na-H"	44.97116
"1146204"	252.99056	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2Na-H"	44.97116
"184268"	231.008618	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2Na"	45.978436
"621642"	335.018318	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2Na"	45.978436
"1128428"	126.998918	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2Na"	45.978436
"1405391"	85.001704	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+2Na"	46.985712
"1444437"	255.032146	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+HCOOH"	47.012746
"230488"	236.04164	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+3H2O+2H"	56.04448
"1519643"	269.08419	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+IsoProp+H"	61.06479
"418235"	238.995588	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Na+K"	61.952376
"778134"	343.005288	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+Na+K"	61.952376
"1672279"	134.985888	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na+K"	61.952376
"264269"	480.054568	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+ACN+Na"	64.015768
"1235885"	272.035168	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+ACN+Na"	64.015768
"1721493"	272.058693	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+NH4+HCOOH"	64.039293
"1190127"	92.329018	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+3Na"	68.967654
"1655645"	277.014088	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na+HCOOH"	68.994688
"170165"	492.95784	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2K-H"	76.91904
"611184"	700.97724	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2K-H"	76.91904
"1089863"	284.93844	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2K-H"	76.91904
"156047"	246.982558	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2K"	77.926316
"595731"	350.992258	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2K"	77.926316
"1083524"	142.972858	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2K"	77.926316
"1113814"	286.952992	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2K+H"	78.933592
"1345828"	287.040607	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+DMSO+H"	79.021207
"1015448"	291.079776	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2ACN+H"	83.060376
"1533574"	292.073408	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+IsoProp+Na+H"	84.054008
"1002209"	146.043526	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+2ACN+2H"	84.067652
"1598900"	292.988028	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+K+HCOOH"	84.968628
"1425652"	323.019538	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+CF3COOH"	115.000138
"1161772"	166.556801	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+3ACN+2H"	125.094202
"1705490"	340.046085	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+NH4+CF3COOH"	132.026685
"1646608"	345.00148	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na+CF3COOH"	136.98208
"1581165"	360.97542	"C16201"	"1-Naphthalenesulfonic acid;Naphthalene-1-sulfonate"	"C10H8O3S"	"208.0194"	"M+K+CF3COOH"	152.95602
"802783"	208.0194	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M"	0
"987255"	189.00101	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-H2O-H"	-19.01839
"76591"	137.672324	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M-3H"	-3.021828
"516518"	207.012124	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M-3H"	-3.021828
"892131"	68.332524	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-3H"	-3.021828
"4873"	207.012124	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H"	-2.014552
"447714"	311.021824	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H"	-2.014552
"824424"	103.002424	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H"	-2.014552
"89882"	415.031524	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M-H"	-1.007276
"527257"	623.050924	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M-H"	-1.007276
"909437"	207.012124	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-H"	-1.007276
"58346"	432.058071	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H+NH4"	16.019271
"497905"	640.077471	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H+NH4"	16.019271
"874614"	224.038671	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H+NH4"	16.019271
"38139"	437.013466	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H+Na"	20.974666
"484266"	645.032866	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H+Na"	20.974666
"860974"	228.994066	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H+Na"	20.974666
"1630144"	228.994066	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na-2H"	20.974666
"102660"	225.000463	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M-H+Cl"	33.962126
"543312"	329.010163	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M-H+Cl"	33.962126
"934643"	120.990763	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+Cl"	33.962126
"272106"	451.008202	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Cl"	34.969402
"664525"	659.027602	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+Cl"	34.969402
"1275834"	242.988802	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl"	34.969402
"21672"	452.987406	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M-2H+K"	36.948606
"456860"	661.006806	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M-2H+K"	36.948606
"843412"	244.968006	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-2H+K"	36.948606
"1564713"	244.968006	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+K-2H"	36.948606
"952600"	253.017594	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+HCOOH"	44.998194
"369722"	461.037001	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+HCOOH-H"	44.998201
"354705"	475.052651	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Hac-H"	59.013851
"1503538"	267.033251	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Hac-H"	59.013851
"973271"	274.999551	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+NaCOOH"	66.980151
"125094"	242.988802	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2Cl"	69.938804
"563565"	346.998502	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2Cl"	69.938804
"1033816"	138.979102	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2Cl"	69.938804
"1251207"	286.938285	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Br"	78.918885
"1315847"	288.994272	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl+HCOOH"	80.974872
"1325687"	310.976229	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl+NaCOOH"	102.956829
"923308"	321.004986	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M-H+CF3COOH"	112.985586
"1294549"	356.981664	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Cl+CF3COOH"	148.962264
"1379274"	173.006724	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H-2H2O"	-35.012676
"1392396"	191.0167	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H-H2O"	-17.0027
"293905"	417.046076	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H"	1.007276
"681222"	625.065476	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H"	1.007276
"1361219"	209.026676	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H"	1.007276
"133743"	209.026676	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2H"	2.014552
"570022"	313.036376	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2H"	2.014552
"1041373"	105.016976	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2H"	2.014552
"212190"	139.686876	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+3H"	3.021828
"652844"	209.026676	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+3H"	3.021828
"1172063"	70.347076	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+3H"	3.021828
"428775"	434.072623	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+NH4"	18.033823
"798163"	642.092023	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+NH4"	18.033823
"1692674"	226.053223	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+NH4"	18.033823
"342045"	217.5399495	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H+NH4"	19.041099
"734466"	321.5496495	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H+NH4"	19.041099
"1490108"	113.5302495	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+NH4"	19.041099
"404780"	439.028018	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Na"	22.989218
"765775"	647.047418	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+Na"	22.989218
"1614965"	231.008618	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na"	22.989218
"326096"	220.017647	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H+Na"	23.996494
"719608"	324.027347	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H+Na"	23.996494
"1473430"	116.007947	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+Na"	23.996494
"1063393"	77.67439	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2H+Na"	25.00377
"1266164"	241.052886	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+CH3OH+H"	33.033486
"388019"	455.001958	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+K"	38.963158
"749013"	663.021358	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+K"	38.963158
"1548879"	246.982558	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+K"	38.963158
"312862"	228.004617	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+H+K"	39.970434
"705403"	332.014317	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+H+K"	39.970434
"1458858"	123.994917	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+K"	39.970434
"248555"	458.072626	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+ACN+H"	42.033826
"1223818"	250.053226	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+ACN+H"	42.033826
"1206970"	125.530251	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+ACN+2H"	43.041102
"201303"	461.00996	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2Na-H"	44.97116
"641958"	669.02936	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2Na-H"	44.97116
"1144978"	252.99056	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2Na-H"	44.97116
"184378"	231.008618	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2Na"	45.978436
"618472"	335.018318	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2Na"	45.978436
"1125258"	126.998918	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2Na"	45.978436
"1405501"	85.001704	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+2Na"	46.985712
"1440537"	255.032146	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+HCOOH"	47.012746
"229141"	236.04164	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+3H2O+2H"	56.04448
"1516472"	269.08419	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+IsoProp+H"	61.06479
"416887"	238.995588	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+Na+K"	61.952376
"777149"	343.005288	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+Na+K"	61.952376
"1671293"	134.985888	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na+K"	61.952376
"258910"	480.054568	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+ACN+Na"	64.015768
"1233809"	272.035168	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+ACN+Na"	64.015768
"1720510"	272.058693	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+NH4+HCOOH"	64.039293
"1184770"	92.329018	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+3Na"	68.967654
"1658666"	277.014088	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na+HCOOH"	68.994688
"163710"	492.95784	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2K-H"	76.91904
"607648"	700.97724	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2K-H"	76.91904
"1091066"	284.93844	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2K-H"	76.91904
"156849"	246.982558	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"2M+2K"	77.926316
"596987"	350.992258	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"3M+2K"	77.926316
"1083387"	142.972858	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2K"	77.926316
"1115510"	286.952992	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2K+H"	78.933592
"1348126"	287.040607	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+DMSO+H"	79.021207
"1017747"	291.079776	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2ACN+H"	83.060376
"1535871"	292.073408	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+IsoProp+Na+H"	84.054008
"1002319"	146.043526	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+2ACN+2H"	84.067652
"1597916"	292.988028	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+K+HCOOH"	84.968628
"1425762"	323.019538	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+H+CF3COOH"	115.000138
"1162127"	166.556801	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+3ACN+2H"	125.094202
"1705600"	340.046085	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+NH4+CF3COOH"	132.026685
"1646718"	345.00148	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+Na+CF3COOH"	136.98208
"1581275"	360.97542	"C16202"	"2-Naphthalenesulfonic acid;Naphthalene-2-sulfonate"	"C10H8O3S"	"208.0194"	"M+K+CF3COOH"	152.95602
"811644"	212.0837	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M"	0
"981895"	193.06531	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"74513"	140.381857333333	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"507513"	211.076424	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"892607"	69.6872906666667	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"8266"	211.076424	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"450015"	317.118274	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"826726"	105.034574	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"91949"	423.160124	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"532356"	635.243824	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"906268"	211.076424	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"60642"	440.186671	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"499110"	652.270371	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"874726"	228.102971	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"44088"	445.142066	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"484012"	657.225766	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"859993"	233.058366	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1628432"	233.058366	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"109824"	229.064763	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"544522"	335.106613	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"938037"	123.022913	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"275499"	459.136802	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"667921"	671.220502	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1277042"	247.053102	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"22881"	461.116006	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"467911"	673.199706	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"842432"	249.032306	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1567010"	249.032306	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"951617"	257.081894	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"370934"	469.165601	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"354816"	483.181251	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1503648"	271.097551	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"971195"	279.063851	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"123381"	247.053102	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"557473"	353.094952	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1027730"	141.011252	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1248037"	291.002585	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1314864"	293.058572	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1325799"	315.040529	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"922325"	325.069286	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1296850"	361.045964	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1377930"	177.071024	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1391416"	195.081	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"292198"	425.174676	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"684619"	637.258376	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1360968"	213.090976	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"134953"	213.090976	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"572325"	319.132826	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1043310"	107.049126	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"213401"	142.396409333333	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"652957"	213.090976	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1171082"	71.7018426666667	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"433271"	442.201223	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"796453"	654.284923	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1688409"	230.117523	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"338875"	221.6042495	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"735671"	327.6460995	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1489492"	115.5623995	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"401610"	447.156618	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"761508"	659.240318	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1610701"	235.072918	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"325111"	224.081947	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"720692"	330.123797	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1472446"	118.040097	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1064597"	79.0291566666667	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1271379"	245.117186	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"389222"	463.130558	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"753261"	675.214258	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1553617"	251.046858	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"312858"	232.068917	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"704065"	338.110767	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1458975"	126.027067	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"250620"	466.201226	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1224906"	254.117526	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1207816"	127.562401	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"201413"	469.13856	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"637695"	681.22226	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1143023"	257.05486	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"184128"	235.072918	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"623690"	341.114768	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1127924"	129.031068	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1408167"	86.3564706666667	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1436275"	259.096446	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"229980"	240.10594	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1518770"	273.14849	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"414079"	243.059888	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"775073"	349.101738	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1672506"	137.018038	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"256841"	488.183168	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1232829"	276.099468	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1721715"	276.122993	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1184881"	93.6837846666667	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1656962"	281.078388	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"168202"	501.08644	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"606667"	713.17014	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1093368"	289.00274	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"155054"	251.046858	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"594128"	357.088708	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1077544"	145.005008	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1111848"	291.017292	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1346045"	291.104907	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1018948"	295.144076	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1537073"	296.137708	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"999149"	148.075676	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1598025"	297.052328	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1425871"	327.083838	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1158345"	168.588951	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1705710"	344.110385	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1646828"	349.06578	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1581385"	365.03972	"C16203"	"Anthracene-cis-12-dihydrodiol;cis-12-Dihydroanthracene-12-diol"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"811754"	210.0681	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M"	0
"980913"	191.04971	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H2O-H"	-19.01839
"71344"	139.038124	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-3H"	-3.021828
"515278"	209.060824	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-3H"	-3.021828
"894175"	69.015424	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-3H"	-3.021828
"12388"	209.060824	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H"	-2.014552
"447941"	314.094874	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H"	-2.014552
"825742"	104.026774	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H"	-2.014552
"85732"	419.128924	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-H"	-1.007276
"529666"	629.197024	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-H"	-1.007276
"906378"	209.060824	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H"	-1.007276
"60752"	436.155471	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H+NH4"	16.019271
"501532"	646.223571	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H+NH4"	16.019271
"873742"	226.087371	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H+NH4"	16.019271
"44563"	441.110866	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H+Na"	20.974666
"485702"	651.178966	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H+Na"	20.974666
"862899"	231.042766	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H+Na"	20.974666
"1631822"	231.042766	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na-2H"	20.974666
"107259"	227.049163	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-H+Cl"	33.962126
"548766"	332.083213	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-H+Cl"	33.962126
"941064"	122.015113	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+Cl"	33.962126
"279984"	455.105602	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Cl"	34.969402
"671311"	665.173702	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+Cl"	34.969402
"1278245"	245.037502	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl"	34.969402
"21898"	457.084806	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H+K"	36.948606
"465833"	667.152906	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H+K"	36.948606
"841446"	247.016706	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H+K"	36.948606
"1560558"	247.016706	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K-2H"	36.948606
"952820"	255.066294	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+HCOOH"	44.998194
"371044"	465.134401	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+HCOOH-H"	44.998201
"356019"	479.150051	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Hac-H"	59.013851
"1504852"	269.081951	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Hac-H"	59.013851
"969846"	277.048251	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+NaCOOH"	66.980151
"120209"	245.037502	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2Cl"	69.938804
"556490"	350.071552	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2Cl"	69.938804
"1028205"	140.003452	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2Cl"	69.938804
"1250333"	288.986985	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Br"	78.918885
"1312788"	291.042972	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl+HCOOH"	80.974872
"1327003"	313.024929	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl+NaCOOH"	102.956829
"921342"	323.053686	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+CF3COOH"	112.985586
"1299149"	359.030364	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl+CF3COOH"	148.962264
"1373300"	175.055424	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H-2H2O"	-35.012676
"1390432"	193.0654	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H-H2O"	-17.0027
"289026"	421.143476	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H"	1.007276
"684730"	631.211576	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H"	1.007276
"1361077"	211.075376	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H"	1.007276
"138343"	211.075376	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2H"	2.014552
"572434"	316.109426	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2H"	2.014552
"1044513"	106.041326	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2H"	2.014552
"215697"	141.052676	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+3H"	3.021828
"654160"	211.075376	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+3H"	3.021828
"1172285"	71.029976	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+3H"	3.021828
"432288"	438.170023	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+NH4"	18.033823
"791095"	648.238123	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+NH4"	18.033823
"1685238"	228.101923	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+NH4"	18.033823
"337890"	219.5886495	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H+NH4"	19.041099
"732501"	324.6226995	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H+NH4"	19.041099
"1487413"	114.5545995	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+NH4"	19.041099
"402813"	443.125418	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Na"	22.989218
"763805"	653.193518	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+Na"	22.989218
"1611905"	233.057318	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na"	22.989218
"324127"	222.066347	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H+Na"	23.996494
"718734"	327.100397	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H+Na"	23.996494
"1474742"	117.032297	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+Na"	23.996494
"1066893"	78.35729	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2H+Na"	25.00377
"1270759"	243.101586	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+CH3OH+H"	33.033486
"388238"	459.099358	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+K"	38.963158
"753248"	669.167458	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+K"	38.963158
"1552389"	249.031258	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K"	38.963158
"312115"	230.053317	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H+K"	39.970434
"703809"	335.087367	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H+K"	39.970434
"1457628"	125.019267	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+K"	39.970434
"249998"	462.170026	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+ACN+H"	42.033826
"1223434"	252.101926	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+ACN+H"	42.033826
"1205734"	126.554601	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+ACN+2H"	43.041102
"198604"	465.10736	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2Na-H"	44.97116
"637807"	675.17546	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2Na-H"	44.97116
"1142404"	255.03926	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2Na-H"	44.97116
"181322"	233.057318	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2Na"	45.978436
"620883"	338.091368	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2Na"	45.978436
"1126212"	128.023268	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2Na"	45.978436
"1408641"	85.684604	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+2Na"	46.985712
"1435655"	257.080846	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+HCOOH"	47.012746
"223165"	238.09034	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+3H2O+2H"	56.04448
"1514505"	271.13289	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+IsoProp+H"	61.06479
"413096"	241.044288	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Na+K"	61.952376
"774454"	346.078338	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+Na+K"	61.952376
"1667508"	136.010238	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na+K"	61.952376
"256950"	484.151968	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+ACN+Na"	64.015768
"1230750"	274.083868	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+ACN+Na"	64.015768
"1718544"	274.107393	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+NH4+HCOOH"	64.039293
"1184990"	93.011918	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+3Na"	68.967654
"1654883"	279.062788	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na+HCOOH"	68.994688
"162840"	497.05524	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2K-H"	76.91904
"608962"	707.12334	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2K-H"	76.91904
"1092384"	286.98714	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2K-H"	76.91904
"156787"	249.031258	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2K"	77.926316
"595697"	354.065308	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2K"	77.926316
"1078749"	143.997208	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2K"	77.926316
"1110865"	289.001692	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2K+H"	78.933592
"1345062"	289.089307	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+DMSO+H"	79.021207
"1019788"	293.128476	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2ACN+H"	83.060376
"1537183"	294.122108	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+IsoProp+Na+H"	84.054008
"1000352"	147.067876	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2ACN+2H"	84.067652
"1594854"	295.036728	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K+HCOOH"	84.968628
"1421606"	325.068238	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+CF3COOH"	115.000138
"1161735"	167.581151	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+3ACN+2H"	125.094202
"1711288"	342.094785	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+NH4+CF3COOH"	132.026685
"1646938"	347.05018	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na+CF3COOH"	136.98208
"1581495"	363.02412	"C16204"	"12-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K+CF3COOH"	152.95602
"802020"	212.0837	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M"	0
"982117"	193.06531	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"71454"	140.381857333333	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"515388"	211.076424	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"895014"	69.6872906666667	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"13955"	211.076424	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"450237"	317.118274	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"828038"	105.034574	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"85842"	423.160124	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"529776"	635.243824	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"911074"	211.076424	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"61713"	440.186671	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"499328"	652.270371	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"871664"	228.102971	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"41753"	445.142066	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"482406"	657.225766	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"860208"	233.058366	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1630835"	233.058366	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"108461"	229.064763	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"548997"	335.106613	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"941904"	123.022913	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"280094"	459.136802	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"668139"	671.220502	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1275438"	247.053102	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"23101"	461.116006	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"463756"	673.199706	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"841556"	249.032306	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1560668"	249.032306	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"952930"	257.081894	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"368959"	469.165601	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"359044"	483.181251	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1506055"	271.097551	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"970686"	279.063851	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"121413"	247.053102	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"559518"	353.094952	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1029044"	141.011252	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1250443"	291.002585	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1311807"	293.058572	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1326020"	315.040529	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"919266"	325.069286	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1295975"	361.045964	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1374502"	177.071024	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1391633"	195.081	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"288038"	425.174676	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"681557"	637.258376	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1354623"	213.090976	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"140886"	213.090976	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"574732"	319.132826	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1050094"	107.049126	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"213621"	142.396409333333	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"655000"	213.090976	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1172396"	71.7018426666667	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"438959"	442.201223	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"794486"	654.284923	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1694096"	230.117523	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"344891"	221.6042495	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"736620"	327.6460995	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1492223"	115.5623995	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"407661"	447.156618	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"766105"	659.240318	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1616389"	235.072918	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"328611"	224.081947	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"721034"	330.123797	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1474855"	118.040097	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1067005"	79.0291566666667	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1269776"	245.117186	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"387255"	463.130558	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"751170"	675.214258	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1554321"	251.046858	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"313318"	232.068917	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"705740"	338.110767	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1459194"	126.027067	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"250715"	466.201226	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1225371"	254.117526	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1204385"	127.562401	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"196161"	469.13856	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"641196"	681.22226	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1143608"	257.05486	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"183619"	235.072918	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"625003"	341.114768	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1128508"	129.031068	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1409114"	86.3564706666667	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1433580"	259.096446	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"224369"	240.10594	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1515709"	273.14849	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"411384"	243.059888	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"771284"	349.101738	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1666888"	137.018038	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"257060"	488.183168	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1231954"	276.099468	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1717561"	276.122993	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1185101"	93.6837846666667	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1654993"	281.078388	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"162951"	501.08644	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"605793"	713.17014	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1091401"	289.00274	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"156002"	251.046858	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"596416"	357.088708	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1082749"	145.005008	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1110975"	291.017292	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1345172"	291.104907	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1018074"	295.144076	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1537293"	296.137708	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"1000462"	148.075676	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1594964"	297.052328	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1420623"	327.083838	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1155285"	168.588951	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1710305"	344.110385	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1647048"	349.06578	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1581605"	365.03972	"C16205"	"Anthracene-910-dihydrodiol"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"805410"	210.0681	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M"	0
"987694"	191.04971	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H2O-H"	-19.01839
"71564"	139.038124	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-3H"	-3.021828
"515498"	209.060824	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-3H"	-3.021828
"893300"	69.015424	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-3H"	-3.021828
"4222"	209.060824	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H"	-2.014552
"445970"	314.094874	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H"	-2.014552
"819399"	104.026774	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H"	-2.014552
"81578"	419.128924	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-H"	-1.007276
"524418"	629.197024	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-H"	-1.007276
"910729"	209.060824	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H"	-1.007276
"59878"	436.155471	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H+NH4"	16.019271
"496158"	646.223571	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H+NH4"	16.019271
"867761"	226.087371	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H+NH4"	16.019271
"42956"	441.110866	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H+Na"	20.974666
"482516"	651.178966	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H+Na"	20.974666
"860318"	231.042766	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H+Na"	20.974666
"1630945"	231.042766	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na-2H"	20.974666
"106385"	227.049163	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-H+Cl"	33.962126
"543758"	332.083213	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-H+Cl"	33.962126
"937272"	122.015113	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+Cl"	33.962126
"280204"	455.105602	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Cl"	34.969402
"668249"	665.173702	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+Cl"	34.969402
"1275184"	245.037502	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl"	34.969402
"22115"	457.084806	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M-2H+K"	36.948606
"460585"	667.152906	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M-2H+K"	36.948606
"834132"	247.016706	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-2H+K"	36.948606
"1558226"	247.016706	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K-2H"	36.948606
"943556"	255.066294	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+HCOOH"	44.998194
"365788"	465.134401	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+HCOOH-H"	44.998201
"357335"	479.150051	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Hac-H"	59.013851
"1507137"	269.081951	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Hac-H"	59.013851
"972255"	277.048251	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+NaCOOH"	66.980151
"121890"	245.037502	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2Cl"	69.938804
"562180"	350.071552	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2Cl"	69.938804
"1027332"	140.003452	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2Cl"	69.938804
"1252740"	288.986985	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Br"	78.918885
"1310814"	291.042972	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl+HCOOH"	80.974872
"1326128"	313.024929	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl+NaCOOH"	102.956829
"920469"	323.053686	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M-H+CF3COOH"	112.985586
"1297178"	359.030364	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Cl+CF3COOH"	148.962264
"1376434"	175.055424	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H-2H2O"	-35.012676
"1391742"	193.0654	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H-H2O"	-17.0027
"290335"	421.143476	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H"	1.007276
"681665"	631.211576	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H"	1.007276
"1354733"	211.075376	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H"	1.007276
"135279"	211.075376	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2H"	2.014552
"572652"	316.109426	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2H"	2.014552
"1043639"	106.041326	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2H"	2.014552
"215914"	141.052676	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+3H"	3.021828
"651099"	211.075376	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+3H"	3.021828
"1172506"	71.029976	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+3H"	3.021828
"429215"	438.170023	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+NH4"	18.033823
"800789"	648.238123	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+NH4"	18.033823
"1696392"	228.101923	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+NH4"	18.033823
"344311"	219.5886495	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H+NH4"	19.041099
"736733"	324.6226995	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H+NH4"	19.041099
"1492255"	114.5545995	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+NH4"	19.041099
"408528"	443.125418	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Na"	22.989218
"766215"	653.193518	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+Na"	22.989218
"1616864"	233.057318	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na"	22.989218
"329889"	222.066347	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H+Na"	23.996494
"722362"	327.100397	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H+Na"	23.996494
"1475695"	117.032297	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+Na"	23.996494
"1067480"	78.35729	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2H+Na"	25.00377
"1272072"	243.101586	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+CH3OH+H"	33.033486
"388458"	459.099358	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+K"	38.963158
"751645"	669.167458	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+K"	38.963158
"1554431"	249.031258	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K"	38.963158
"313065"	230.053317	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+H+K"	39.970434
"704757"	335.087367	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+H+K"	39.970434
"1458211"	125.019267	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+K"	39.970434
"249003"	462.170026	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+ACN+H"	42.033826
"1224748"	252.101926	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+ACN+H"	42.033826
"1205954"	126.554601	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+ACN+2H"	43.041102
"197364"	465.10736	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2Na-H"	44.97116
"640577"	675.17546	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2Na-H"	44.97116
"1142989"	255.03926	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2Na-H"	44.97116
"182636"	233.057318	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2Na"	45.978436
"624383"	338.091368	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2Na"	45.978436
"1127889"	128.023268	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2Na"	45.978436
"1407037"	85.684604	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+2Na"	46.985712
"1436970"	257.080846	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+HCOOH"	47.012746
"226665"	238.09034	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+3H2O+2H"	56.04448
"1510352"	271.13289	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+IsoProp+H"	61.06479
"410401"	241.044288	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+Na+K"	61.952376
"772487"	346.078338	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+Na+K"	61.952376
"1668458"	136.010238	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na+K"	61.952376
"254613"	484.151968	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+ACN+Na"	64.015768
"1230602"	274.083868	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+ACN+Na"	64.015768
"1716208"	274.107393	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+NH4+HCOOH"	64.039293
"1182659"	93.011918	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+3Na"	68.967654
"1655467"	279.062788	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na+HCOOH"	68.994688
"160874"	497.05524	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2K-H"	76.91904
"603714"	707.12334	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2K-H"	76.91904
"1087494"	286.98714	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2K-H"	76.91904
"155987"	249.031258	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"2M+2K"	77.926316
"596160"	354.065308	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"3M+2K"	77.926316
"1083466"	143.997208	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2K"	77.926316
"1112178"	289.001692	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2K+H"	78.933592
"1349656"	289.089307	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+DMSO+H"	79.021207
"1018184"	293.128476	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2ACN+H"	83.060376
"1536309"	294.122108	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+IsoProp+Na+H"	84.054008
"999478"	147.067876	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+2ACN+2H"	84.067652
"1596167"	295.036728	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K+HCOOH"	84.968628
"1422920"	325.068238	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+H+CF3COOH"	115.000138
"1155395"	167.581151	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+3ACN+2H"	125.094202
"1709320"	342.094785	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+NH4+CF3COOH"	132.026685
"1646065"	347.05018	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+Na+CF3COOH"	136.98208
"1581715"	363.02412	"C16206"	"910-Dihydroxyanthracene;910-Anthracenediol"	"C14H10O2"	"210.0681"	"M+K+CF3COOH"	152.95602
"802240"	208.0524	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M"	0
"982340"	189.03401	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-H2O-H"	-19.01839
"77141"	137.694324	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M-3H"	-3.021828
"517431"	207.045124	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M-3H"	-3.021828
"893410"	68.343524	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-3H"	-3.021828
"9802"	207.045124	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M-2H"	-2.014552
"446082"	311.071324	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M-2H"	-2.014552
"821697"	103.018924	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-2H"	-2.014552
"87156"	415.097524	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M-H"	-1.007276
"523435"	623.149924	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M-H"	-1.007276
"910964"	207.045124	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-H"	-1.007276
"58895"	432.124071	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M-2H+NH4"	16.019271
"496268"	640.176471	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M-2H+NH4"	16.019271
"869329"	224.071671	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-2H+NH4"	16.019271
"41973"	437.079466	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M-2H+Na"	20.974666
"482626"	645.131866	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M-2H+Na"	20.974666
"860428"	229.027066	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-2H+Na"	20.974666
"1630934"	229.027066	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Na-2H"	20.974666
"106495"	225.033463	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M-H+Cl"	33.962126
"544962"	329.059663	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M-H+Cl"	33.962126
"941635"	121.007263	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-H+Cl"	33.962126
"279588"	451.074202	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+Cl"	34.969402
"670548"	659.126602	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+Cl"	34.969402
"1279668"	243.021802	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Cl"	34.969402
"22225"	453.053406	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M-2H+K"	36.948606
"461788"	661.105806	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M-2H+K"	36.948606
"837401"	245.001006	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-2H+K"	36.948606
"1560889"	245.001006	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+K-2H"	36.948606
"945489"	253.050594	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-H+HCOOH"	44.998194
"365898"	461.103001	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+HCOOH-H"	44.998201
"348689"	475.118651	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+Hac-H"	59.013851
"1507611"	267.066251	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Hac-H"	59.013851
"970910"	275.032551	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-H+NaCOOH"	66.980151
"122000"	243.021802	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+2Cl"	69.938804
"560101"	347.048002	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+2Cl"	69.938804
"1029994"	138.995602	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2Cl"	69.938804
"1249570"	286.971285	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Br"	78.918885
"1309831"	289.027272	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Cl+HCOOH"	80.974872
"1326234"	311.009229	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Cl+NaCOOH"	102.956829
"920579"	321.037986	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M-H+CF3COOH"	112.985586
"1299476"	357.014664	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Cl+CF3COOH"	148.962264
"1377637"	173.039724	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H-2H2O"	-35.012676
"1393312"	191.0497	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H-H2O"	-17.0027
"290445"	417.112076	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+H"	1.007276
"681775"	625.164476	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+H"	1.007276
"1355935"	209.059676	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H"	1.007276
"129921"	209.059676	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+2H"	2.014552
"565956"	313.085876	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+2H"	2.014552
"1041562"	105.033476	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2H"	2.014552
"213474"	139.708876	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+3H"	3.021828
"649022"	209.059676	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+3H"	3.021828
"1169337"	70.358076	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+3H"	3.021828
"427138"	434.138623	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+NH4"	18.033823
"800050"	642.191023	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+NH4"	18.033823
"1694682"	226.086223	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+NH4"	18.033823
"345028"	217.5729495	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+H+NH4"	19.041099
"737208"	321.5991495	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+H+NH4"	19.041099
"1491027"	113.5467495	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H+NH4"	19.041099
"406060"	439.094018	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+Na"	22.989218
"768514"	647.146418	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+Na"	22.989218
"1615882"	231.041618	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Na"	22.989218
"329811"	220.050647	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+H+Na"	23.996494
"722594"	324.076847	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+H+Na"	23.996494
"1475805"	116.024447	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H+Na"	23.996494
"1067834"	77.68539	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2H+Na"	25.00377
"1269997"	241.085886	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+CH3OH+H"	33.033486
"386382"	455.067958	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+K"	38.963158
"751755"	663.120358	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+K"	38.963158
"1555532"	247.015558	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+K"	38.963158
"314069"	228.037617	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+H+K"	39.970434
"706692"	332.063817	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+H+K"	39.970434
"1460995"	124.011417	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H+K"	39.970434
"250571"	458.138626	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+ACN+H"	42.033826
"1224493"	250.086226	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+ACN+H"	42.033826
"1205699"	125.546751	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+ACN+2H"	43.041102
"196745"	461.07596	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+2Na-H"	44.97116
"641416"	669.12836	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+2Na-H"	44.97116
"1144558"	253.02356	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2Na-H"	44.97116
"184933"	231.041618	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+2Na"	45.978436
"625953"	335.067818	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+2Na"	45.978436
"1128366"	127.015418	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2Na"	45.978436
"1410065"	85.012704	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H+2Na"	46.985712
"1437809"	255.065146	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H+HCOOH"	47.012746
"227869"	236.07464	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+3H2O+2H"	56.04448
"1514836"	269.11719	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+IsoProp+H"	61.06479
"411240"	239.028588	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+Na+K"	61.952376
"772233"	343.054788	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+Na+K"	61.952376
"1670756"	135.002388	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Na+K"	61.952376
"257276"	480.120568	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+ACN+Na"	64.015768
"1227797"	272.068168	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+ACN+Na"	64.015768
"1713279"	272.091693	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+NH4+HCOOH"	64.039293
"1182405"	92.340018	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+3Na"	68.967654
"1656306"	277.047088	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Na+HCOOH"	68.994688
"160984"	493.02384	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+2K-H"	76.91904
"603824"	701.07624	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+2K-H"	76.91904
"1086875"	284.97144	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2K-H"	76.91904
"155004"	247.015558	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"2M+2K"	77.926316
"595418"	351.041758	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"3M+2K"	77.926316
"1082357"	142.989358	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2K"	77.926316
"1113381"	286.985992	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2K+H"	78.933592
"1347580"	287.073607	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+DMSO+H"	79.021207
"1018297"	291.112776	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2ACN+H"	83.060376
"1537515"	292.106408	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+IsoProp+Na+H"	84.054008
"998496"	146.060026	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+2ACN+2H"	84.067652
"1599559"	293.021028	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+K+HCOOH"	84.968628
"1424125"	323.052538	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+H+CF3COOH"	115.000138
"1154414"	166.573301	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+3ACN+2H"	125.094202
"1706150"	340.079085	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+NH4+CF3COOH"	132.026685
"1640707"	345.03448	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+Na+CF3COOH"	136.98208
"1581825"	361.00842	"C16207"	"Anthraquinone;910-Anthraquinone"	"C14H8O2"	"208.0524"	"M+K+CF3COOH"	152.95602
"802714"	224.0837	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M"	0
"987548"	205.06531	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-H2O-H"	-19.01839
"78431"	148.381857333333	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M-3H"	-3.021828
"512437"	223.076424	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M-3H"	-3.021828
"890239"	73.6872906666667	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-3H"	-3.021828
"11005"	223.076424	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M-2H"	-2.014552
"449472"	335.118274	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M-2H"	-2.014552
"821807"	111.034574	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-2H"	-2.014552
"87266"	447.160124	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M-H"	-1.007276
"524638"	671.243824	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M-H"	-1.007276
"909372"	223.076424	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-H"	-1.007276
"60098"	464.186671	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M-2H+NH4"	16.019271
"497471"	688.270371	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M-2H+NH4"	16.019271
"870897"	240.102971	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-2H+NH4"	16.019271
"42083"	469.142066	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M-2H+Na"	20.974666
"482736"	693.225766	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M-2H+Na"	20.974666
"860538"	245.058366	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-2H+Na"	20.974666
"1630437"	245.058366	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Na-2H"	20.974666
"108427"	241.064763	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M-H+Cl"	33.962126
"548352"	353.106613	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M-H+Cl"	33.962126
"941260"	129.022913	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-H+Cl"	33.962126
"278607"	483.136802	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+Cl"	34.969402
"670658"	707.220502	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+Cl"	34.969402
"1277591"	259.053102	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Cl"	34.969402
"20148"	485.116006	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M-2H+K"	36.948606
"456182"	709.199706	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M-2H+K"	36.948606
"837511"	261.032306	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-2H+K"	36.948606
"1556988"	261.032306	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+K-2H"	36.948606
"945599"	269.081894	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-H+HCOOH"	44.998194
"367101"	493.165601	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+HCOOH-H"	44.998201
"351349"	507.181251	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+Hac-H"	59.013851
"1507116"	283.097551	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Hac-H"	59.013851
"971747"	291.063851	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-H+NaCOOH"	66.980151
"121745"	259.053102	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+2Cl"	69.938804
"559118"	371.094952	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+2Cl"	69.938804
"1031194"	147.011252	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2Cl"	69.938804
"1254052"	303.002585	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Br"	78.918885
"1314312"	305.058572	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Cl+HCOOH"	80.974872
"1325250"	327.040529	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Cl+NaCOOH"	102.956829
"920689"	337.069286	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M-H+CF3COOH"	112.985586
"1300679"	373.045964	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Cl+CF3COOH"	148.962264
"1377747"	189.071024	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H-2H2O"	-35.012676
"1394150"	207.081	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H-H2O"	-17.0027
"291648"	449.174676	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+H"	1.007276
"682979"	673.258376	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+H"	1.007276
"1356045"	225.090976	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H"	1.007276
"131125"	225.090976	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+2H"	2.014552
"567404"	337.132826	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+2H"	2.014552
"1042765"	113.049126	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2H"	2.014552
"214313"	150.396409333333	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+3H"	3.021828
"649132"	225.090976	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+3H"	3.021828
"1171633"	75.7018426666667	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+3H"	3.021828
"429434"	466.201223	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+NH4"	18.033823
"798822"	690.284923	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+NH4"	18.033823
"1693328"	242.117523	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+NH4"	18.033823
"341608"	233.6042495	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+H+NH4"	19.041099
"736216"	345.6460995	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+H+NH4"	19.041099
"1492236"	121.5623995	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H+NH4"	19.041099
"407631"	471.156618	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+Na"	22.989218
"768751"	695.240318	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+Na"	22.989218
"1618063"	247.072918	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Na"	22.989218
"329071"	236.081947	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+H+Na"	23.996494
"720881"	348.123797	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+H+Na"	23.996494
"1473728"	124.040097	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H+Na"	23.996494
"1066000"	83.0291566666667	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2H+Na"	25.00377
"1269742"	257.117186	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+CH3OH+H"	33.033486
"386492"	487.130558	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+K"	38.963158
"748949"	711.214258	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+K"	38.963158
"1554902"	263.046858	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+K"	38.963158
"312558"	244.068917	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+H+K"	39.970434
"706320"	356.110767	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+H+K"	39.970434
"1460012"	132.027067	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H+K"	39.970434
"250318"	490.201226	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+ACN+H"	42.033826
"1224239"	266.117526	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+ACN+H"	42.033826
"1204716"	133.562401	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+ACN+2H"	43.041102
"197584"	493.13856	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+2Na-H"	44.97116
"641163"	717.22226	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+2Na-H"	44.97116
"1143939"	269.05486	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2Na-H"	44.97116
"185409"	247.072918	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+2Na"	45.978436
"625335"	359.114768	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+2Na"	45.978436
"1128477"	135.031068	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2Na"	45.978436
"1411271"	90.3564706666667	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H+2Na"	46.985712
"1440469"	271.096446	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H+HCOOH"	47.012746
"227980"	252.10594	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+3H2O+2H"	56.04448
"1516039"	285.14849	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+IsoProp+H"	61.06479
"410257"	255.059888	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+Na+K"	61.952376
"771978"	367.101738	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+Na+K"	61.952376
"1670865"	143.018038	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Na+K"	61.952376
"256292"	512.183168	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+ACN+Na"	64.015768
"1227179"	288.099468	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+ACN+Na"	64.015768
"1713592"	288.122993	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+NH4+HCOOH"	64.039293
"1181058"	97.6837846666667	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+3Na"	68.967654
"1655323"	293.078388	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Na+HCOOH"	68.994688
"160001"	525.08644	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+2K-H"	76.91904
"603934"	749.17014	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+2K-H"	76.91904
"1086257"	301.00274	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2K-H"	76.91904
"156574"	263.046858	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"2M+2K"	77.926316
"596136"	375.088708	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"3M+2K"	77.926316
"1083197"	151.005008	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2K"	77.926316
"1113856"	303.017292	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2K+H"	78.933592
"1348785"	303.104907	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+DMSO+H"	79.021207
"1012941"	307.144076	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2ACN+H"	83.060376
"1532159"	308.137708	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+IsoProp+Na+H"	84.054008
"999701"	154.075676	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+2ACN+2H"	84.067652
"1597485"	309.052328	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+K+HCOOH"	84.968628
"1426425"	339.083838	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+H+CF3COOH"	115.000138
"1159992"	174.588951	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+3ACN+2H"	125.094202
"1706260"	356.110385	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+NH4+CF3COOH"	132.026685
"1640817"	361.06578	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+Na+CF3COOH"	136.98208
"1581935"	377.03972	"C16208"	"1-Methoxy-2-hydroxyanthracene"	"C15H12O2"	"224.0837"	"M+K+CF3COOH"	152.95602
"802824"	242.0579	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M"	0
"988022"	223.03951	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-H2O-H"	-19.01839
"78256"	160.364657333333	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M-3H"	-3.021828
"513638"	241.050624	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M-3H"	-3.021828
"881964"	79.6786906666667	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-3H"	-3.021828
"4551"	241.050624	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M-2H"	-2.014552
"452863"	362.079574	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M-2H"	-2.014552
"819730"	120.021674	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-2H"	-2.014552
"83001"	483.108524	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M-H"	-1.007276
"528030"	725.166424	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M-H"	-1.007276
"909971"	241.050624	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-H"	-1.007276
"60209"	500.135071	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M-2H+NH4"	16.019271
"499768"	742.192971	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M-2H+NH4"	16.019271
"871007"	258.077171	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-2H+NH4"	16.019271
"42193"	505.090466	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M-2H+Na"	20.974666
"479566"	747.148366	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M-2H+Na"	20.974666
"860648"	263.032566	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-2H+Na"	20.974666
"1630911"	263.032566	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Na-2H"	20.974666
"108901"	259.038963	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M-H+Cl"	33.962126
"548098"	380.067913	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M-H+Cl"	33.962126
"938696"	138.010013	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-H+Cl"	33.962126
"281627"	519.085202	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+Cl"	34.969402
"672954"	761.143102	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+Cl"	34.969402
"1280983"	277.027302	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Cl"	34.969402
"22444"	521.064406	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M-2H+K"	36.948606
"457631"	763.122306	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M-2H+K"	36.948606
"837622"	279.006506	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-2H+K"	36.948606
"1556733"	279.006506	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+K-2H"	36.948606
"946075"	287.056094	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-H+HCOOH"	44.998194
"365390"	529.114001	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+HCOOH-H"	44.998201
"349272"	543.129651	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+Hac-H"	59.013851
"1507586"	301.071751	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Hac-H"	59.013851
"970397"	309.038051	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-H+NaCOOH"	66.980151
"122583"	277.027302	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+2Cl"	69.938804
"559227"	398.056252	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+2Cl"	69.938804
"1029117"	155.998352	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2Cl"	69.938804
"1251975"	320.976785	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Br"	78.918885
"1309320"	323.032772	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Cl+HCOOH"	80.974872
"1324266"	345.014729	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Cl+NaCOOH"	102.956829
"921892"	355.043486	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M-H+CF3COOH"	112.985586
"1298603"	391.020164	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Cl+CF3COOH"	148.962264
"1379679"	207.045224	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H-2H2O"	-35.012676
"1393896"	225.0552	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H-H2O"	-17.0027
"287384"	485.123076	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+H"	1.007276
"684181"	727.180976	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+H"	1.007276
"1352872"	243.065176	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H"	1.007276
"127954"	243.065176	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+2H"	2.014552
"566905"	364.094126	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+2H"	2.014552
"1042875"	122.036226	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2H"	2.014552
"209684"	162.379209333333	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+3H"	3.021828
"653621"	243.065176	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+3H"	3.021828
"1171743"	81.6932426666667	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+3H"	3.021828
"432831"	502.149623	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+NH4"	18.033823
"799296"	744.207523	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+NH4"	18.033823
"1696126"	260.091723	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+NH4"	18.033823
"345014"	251.5784495	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+H+NH4"	19.041099
"736327"	372.6073995	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+H+NH4"	19.041099
"1492232"	130.5494995	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H+NH4"	19.041099
"408077"	507.105018	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+Na"	22.989218
"768863"	749.162918	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+Na"	22.989218
"1617201"	265.047118	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Na"	22.989218
"329426"	254.056147	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+H+Na"	23.996494
"721732"	375.085097	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+H+Na"	23.996494
"1476039"	133.027197	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H+Na"	23.996494
"1067786"	89.0205566666667	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2H+Na"	25.00377
"1271438"	275.091386	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+CH3OH+H"	33.033486
"391587"	523.078958	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+K"	38.963158
"753650"	765.136858	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+K"	38.963158
"1554888"	281.021058	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+K"	38.963158
"313891"	262.043117	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+H+K"	39.970434
"706393"	383.072067	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+H+K"	39.970434
"1460607"	141.014167	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H+K"	39.970434
"250065"	526.149626	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+ACN+H"	42.033826
"1225078"	284.091726	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+ACN+H"	42.033826
"1204826"	142.549501	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+ACN+2H"	43.041102
"197695"	529.08696	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+2Na-H"	44.97116
"639452"	771.14486	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+2Na-H"	44.97116
"1144413"	287.02906	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2Na-H"	44.97116
"185154"	265.047118	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+2Na"	45.978436
"625446"	386.076068	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+2Na"	45.978436
"1129194"	144.018168	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2Na"	45.978436
"1411017"	96.3478706666667	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H+2Na"	46.985712
"1441671"	289.070646	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H+HCOOH"	47.012746
"231370"	270.08014	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+3H2O+2H"	56.04448
"1519431"	303.12269	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+IsoProp+H"	61.06479
"416928"	273.034088	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+Na+K"	61.952376
"774643"	394.063038	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+Na+K"	61.952376
"1670975"	152.005138	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Na+K"	61.952376
"256402"	548.131568	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+ACN+Na"	64.015768
"1226195"	306.073668	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+ACN+Na"	64.015768
"1713298"	306.097193	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+NH4+HCOOH"	64.039293
"1182261"	103.675184666667	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+3Na"	68.967654
"1654340"	311.052588	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Na+HCOOH"	68.994688
"160111"	561.03484	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+2K-H"	76.91904
"602951"	803.09274	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+2K-H"	76.91904
"1086367"	318.97694	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2K-H"	76.91904
"156688"	281.021058	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"2M+2K"	77.926316
"596609"	402.050008	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"3M+2K"	77.926316
"1082577"	159.992108	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2K"	77.926316
"1114092"	320.991492	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2K+H"	78.933592
"1348894"	321.079107	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+DMSO+H"	79.021207
"1010864"	325.118276	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2ACN+H"	83.060376
"1533363"	326.111908	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+IsoProp+Na+H"	84.054008
"1000905"	163.062776	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+2ACN+2H"	84.067652
"1598689"	327.026528	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+K+HCOOH"	84.968628
"1425442"	357.058038	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+H+CF3COOH"	115.000138
"1161196"	183.576051	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+3ACN+2H"	125.094202
"1708557"	374.084585	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+NH4+CF3COOH"	132.026685
"1640927"	379.03998	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+Na+CF3COOH"	136.98208
"1576577"	395.01392	"C16209"	"3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid"	"C14H10O4"	"242.0579"	"M+K+CF3COOH"	152.95602
"805850"	242.0579	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M"	0
"979383"	223.03951	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-H2O-H"	-19.01839
"65436"	160.364657333333	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M-3H"	-3.021828
"506093"	241.050624	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M-3H"	-3.021828
"887177"	79.6786906666667	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-3H"	-3.021828
"4661"	241.050624	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M-2H"	-2.014552
"452974"	362.079574	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M-2H"	-2.014552
"830535"	120.021674	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-2H"	-2.014552
"90768"	483.108524	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M-H"	-1.007276
"530329"	725.166424	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M-H"	-1.007276
"900474"	241.050624	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-H"	-1.007276
"61899"	500.135071	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M-2H+NH4"	16.019271
"497691"	742.192971	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M-2H+NH4"	16.019271
"870024"	258.077171	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-2H+NH4"	16.019271
"42303"	505.090466	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M-2H+Na"	20.974666
"479676"	747.148366	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M-2H+Na"	20.974666
"860758"	263.032566	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-2H+Na"	20.974666
"1630657"	263.032566	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Na-2H"	20.974666
"107918"	259.038963	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M-H+Cl"	33.962126
"549709"	380.067913	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M-H+Cl"	33.962126
"941722"	138.010013	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-H+Cl"	33.962126
"281737"	519.085202	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+Cl"	34.969402
"673064"	761.143102	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+Cl"	34.969402
"1281093"	277.027302	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Cl"	34.969402
"25834"	521.064406	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M-2H+K"	36.948606
"457740"	763.122306	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M-2H+K"	36.948606
"839189"	279.006506	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-2H+K"	36.948606
"1559759"	279.006506	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+K-2H"	36.948606
"947277"	287.056094	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-H+HCOOH"	44.998194
"368415"	529.114001	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+HCOOH-H"	44.998201
"350475"	543.129651	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+Hac-H"	59.013851
"1501135"	301.071751	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Hac-H"	59.013851
"971233"	309.038051	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-H+NaCOOH"	66.980151
"122692"	277.027302	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+2Cl"	69.938804
"563716"	398.056252	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+2Cl"	69.938804
"1032514"	155.998352	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2Cl"	69.938804
"1253182"	320.976785	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Br"	78.918885
"1315629"	323.032772	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Cl+HCOOH"	80.974872
"1329850"	345.014729	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Cl+NaCOOH"	102.956829
"922733"	355.043486	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M-H+CF3COOH"	112.985586
"1296526"	391.020164	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Cl+CF3COOH"	148.962264
"1373593"	207.045224	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H-2H2O"	-35.012676
"1392183"	225.0552	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H-H2O"	-17.0027
"283118"	485.123076	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+H"	1.007276
"687572"	727.180976	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+H"	1.007276
"1354807"	243.065176	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H"	1.007276
"131345"	243.065176	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+2H"	2.014552
"571998"	364.094126	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+2H"	2.014552
"1042985"	122.036226	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2H"	2.014552
"215993"	162.379209333333	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+3H"	3.021828
"654459"	243.065176	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+3H"	3.021828
"1166386"	81.6932426666667	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+3H"	3.021828
"430754"	502.149623	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+NH4"	18.033823
"798313"	744.207523	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+NH4"	18.033823
"1696950"	260.091723	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+NH4"	18.033823
"345366"	251.5784495	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+H+NH4"	19.041099
"736072"	372.6073995	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+H+NH4"	19.041099
"1492631"	130.5494995	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H+NH4"	19.041099
"408099"	507.105018	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+Na"	22.989218
"769866"	749.162918	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+Na"	22.989218
"1617554"	265.047118	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Na"	22.989218
"329778"	254.056147	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+H+Na"	23.996494
"720984"	375.085097	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+H+Na"	23.996494
"1476019"	133.027197	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H+Na"	23.996494
"1066831"	89.0205566666667	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2H+Na"	25.00377
"1271788"	275.091386	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+CH3OH+H"	33.033486
"392386"	523.078958	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+K"	38.963158
"753550"	765.136858	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+K"	38.963158
"1554142"	281.021058	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+K"	38.963158
"312415"	262.043117	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+H+K"	39.970434
"705931"	383.072067	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+H+K"	39.970434
"1458652"	141.014167	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H+K"	39.970434
"250537"	526.149626	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+ACN+H"	42.033826
"1223242"	284.091726	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+ACN+H"	42.033826
"1206029"	142.549501	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+ACN+2H"	43.041102
"199993"	529.08696	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+2Na-H"	44.97116
"638466"	771.14486	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+2Na-H"	44.97116
"1144157"	287.02906	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2Na-H"	44.97116
"184169"	265.047118	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+2Na"	45.978436
"626281"	386.076068	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+2Na"	45.978436
"1130150"	144.018168	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2Na"	45.978436
"1411854"	96.3478706666667	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H+2Na"	46.985712
"1443967"	289.070646	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H+HCOOH"	47.012746
"221637"	270.08014	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+3H2O+2H"	56.04448
"1512978"	303.12269	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+IsoProp+H"	61.06479
"413757"	273.034088	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+Na+K"	61.952376
"776935"	394.063038	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+Na+K"	61.952376
"1667072"	152.005138	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Na+K"	61.952376
"254324"	548.131568	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+ACN+Na"	64.015768
"1227399"	306.073668	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+ACN+Na"	64.015768
"1718104"	306.097193	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+NH4+HCOOH"	64.039293
"1182371"	103.675184666667	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+3Na"	68.967654
"1652260"	311.052588	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Na+HCOOH"	68.994688
"161314"	561.03484	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+2K-H"	76.91904
"601965"	803.09274	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+2K-H"	76.91904
"1089757"	318.97694	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2K-H"	76.91904
"156184"	281.021058	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"2M+2K"	77.926316
"594773"	402.050008	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"3M+2K"	77.926316
"1080500"	159.992108	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2K"	77.926316
"1109337"	320.991492	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2K+H"	78.933592
"1346820"	321.079107	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+DMSO+H"	79.021207
"1012068"	325.118276	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2ACN+H"	83.060376
"1536754"	326.111908	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+IsoProp+Na+H"	84.054008
"1001015"	163.062776	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+2ACN+2H"	84.067652
"1597705"	327.026528	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+K+HCOOH"	84.968628
"1428713"	357.058038	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+H+CF3COOH"	115.000138
"1160578"	183.576051	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+3ACN+2H"	125.094202
"1708667"	374.084585	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+NH4+CF3COOH"	132.026685
"1644317"	379.03998	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+Na+CF3COOH"	136.98208
"1575594"	395.01392	"C16210"	"4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid"	"C14H10O4"	"242.0579"	"M+K+CF3COOH"	152.95602
"802680"	196.0524	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M"	0
"976213"	177.03401	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-H2O-H"	-19.01839
"64452"	129.694324	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M-3H"	-3.021828
"506203"	195.045124	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M-3H"	-3.021828
"885100"	64.343524	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-3H"	-3.021828
"2581"	195.045124	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M-2H"	-2.014552
"440802"	293.071324	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M-2H"	-2.014552
"827605"	97.018924	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-2H"	-2.014552
"87596"	391.097524	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M-H"	-1.007276
"528252"	587.149924	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M-H"	-1.007276
"900584"	195.045124	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-H"	-1.007276
"54960"	408.124071	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M-2H+NH4"	16.019271
"497801"	604.176471	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M-2H+NH4"	16.019271
"870134"	212.071671	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-2H+NH4"	16.019271
"42413"	413.079466	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M-2H+Na"	20.974666
"479786"	609.131866	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M-2H+Na"	20.974666
"860868"	217.027066	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-2H+Na"	20.974666
"1630401"	217.027066	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Na-2H"	20.974666
"106934"	213.033463	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M-H+Cl"	33.962126
"549374"	311.059663	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M-H+Cl"	33.962126
"940010"	115.007263	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-H+Cl"	33.962126
"280754"	427.074202	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+Cl"	34.969402
"672080"	623.126602	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+Cl"	34.969402
"1282296"	231.021802	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Cl"	34.969402
"16831"	429.053406	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M-2H+K"	36.948606
"456148"	625.105806	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M-2H+K"	36.948606
"838569"	233.001006	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-2H+K"	36.948606
"1556953"	233.001006	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+K-2H"	36.948606
"943864"	241.050594	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-H+HCOOH"	44.998194
"362688"	437.103001	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+HCOOH-H"	44.998201
"346328"	451.118651	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+Hac-H"	59.013851
"1501244"	255.066251	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Hac-H"	59.013851
"968790"	263.032551	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-H+NaCOOH"	66.980151
"122801"	231.021802	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+2Cl"	69.938804
"560542"	329.048002	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+2Cl"	69.938804
"1033351"	132.995602	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2Cl"	69.938804
"1254384"	274.971285	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Br"	78.918885
"1311364"	277.027272	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Cl+HCOOH"	80.974872
"1331049"	299.009229	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Cl+NaCOOH"	102.956829
"921020"	309.037986	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M-H+CF3COOH"	112.985586
"1297729"	345.014664	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Cl+CF3COOH"	148.962264
"1371515"	161.039724	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H-2H2O"	-35.012676
"1390106"	179.0497	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H-H2O"	-17.0027
"284441"	393.112076	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+H"	1.007276
"686589"	589.164476	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+H"	1.007276
"1354917"	197.059676	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H"	1.007276
"132548"	197.059676	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+2H"	2.014552
"568828"	295.085876	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+2H"	2.014552
"1044188"	99.033476	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2H"	2.014552
"213186"	131.708876	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+3H"	3.021828
"654933"	197.059676	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+3H"	3.021828
"1168683"	66.358076	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+3H"	3.021828
"431956"	410.138623	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+NH4"	18.033823
"797328"	606.191023	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+NH4"	18.033823
"1696340"	214.086223	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+NH4"	18.033823
"343765"	205.5729495	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+H+NH4"	19.041099
"736182"	303.5991495	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+H+NH4"	19.041099
"1492075"	107.5467495	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H+NH4"	19.041099
"408331"	415.094018	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+Na"	22.989218
"769198"	611.146418	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+Na"	22.989218
"1616689"	219.041618	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Na"	22.989218
"328793"	208.050647	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+H+Na"	23.996494
"721942"	306.076847	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+H+Na"	23.996494
"1475516"	110.024447	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H+Na"	23.996494
"1067424"	73.68539	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2H+Na"	25.00377
"1272059"	229.085886	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+CH3OH+H"	33.033486
"392090"	431.067958	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+K"	38.963158
"752932"	627.120358	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+K"	38.963158
"1554249"	235.015558	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+K"	38.963158
"312517"	216.037617	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+H+K"	39.970434
"706644"	314.063817	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+H+K"	39.970434
"1459855"	118.011417	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H+K"	39.970434
"249185"	434.138626	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+ACN+H"	42.033826
"1221163"	238.086226	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+ACN+H"	42.033826
"1203951"	119.546751	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+ACN+2H"	43.041102
"197913"	437.07596	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+2Na-H"	44.97116
"639671"	633.12836	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+2Na-H"	44.97116
"1142082"	241.02356	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2Na-H"	44.97116
"183187"	219.041618	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+2Na"	45.978436
"624933"	317.067818	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+2Na"	45.978436
"1128436"	121.015418	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2Na"	45.978436
"1411600"	81.012704	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H+2Na"	46.985712
"1444077"	243.065146	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H+HCOOH"	47.012746
"221500"	224.07464	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+3H2O+2H"	56.04448
"1514182"	257.11719	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+IsoProp+H"	61.06479
"413138"	227.028588	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+Na+K"	61.952376
"777046"	325.054788	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+Na+K"	61.952376
"1667911"	129.002388	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Na+K"	61.952376
"256620"	456.120568	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+ACN+Na"	64.015768
"1228601"	260.068168	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+ACN+Na"	64.015768
"1716025"	260.091693	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+NH4+HCOOH"	64.039293
"1182475"	88.340018	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+3Na"	68.967654
"1655649"	265.047088	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Na+HCOOH"	68.994688
"161417"	469.02384	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+2K-H"	76.91904
"605351"	665.07624	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+2K-H"	76.91904
"1084390"	272.97144	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2K-H"	76.91904
"155443"	235.015558	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"2M+2K"	77.926316
"596465"	333.041758	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"3M+2K"	77.926316
"1083652"	136.989358	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2K"	77.926316
"1114551"	274.985992	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2K+H"	78.933592
"1349721"	275.073607	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+DMSO+H"	79.021207
"1011085"	279.112776	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2ACN+H"	83.060376
"1533584"	280.106408	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+IsoProp+Na+H"	84.054008
"998938"	140.060026	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+2ACN+2H"	84.067652
"1597817"	281.021028	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+K+HCOOH"	84.968628
"1427122"	311.052538	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+H+CF3COOH"	115.000138
"1161416"	160.573301	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+3ACN+2H"	125.094202
"1706590"	328.079085	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+NH4+CF3COOH"	132.026685
"1644427"	333.03448	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+Na+CF3COOH"	136.98208
"1575704"	349.00842	"C16211"	"67-Benzocoumarin"	"C13H8O2"	"196.0524"	"M+K+CF3COOH"	152.95602
"802790"	188.0473	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M"	0
"976323"	169.02891	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-H2O-H"	-19.01839
"64562"	124.357590666667	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M-3H"	-3.021828
"506313"	187.040024	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M-3H"	-3.021828
"885210"	61.6751573333333	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-3H"	-3.021828
"4878"	187.040024	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M-2H"	-2.014552
"440224"	281.063674	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M-2H"	-2.014552
"820055"	93.016374	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-2H"	-2.014552
"87706"	375.087324	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M-H"	-1.007276
"528362"	563.134624	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M-H"	-1.007276
"900694"	187.040024	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-H"	-1.007276
"53977"	392.113871	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M-2H+NH4"	16.019271
"496818"	580.161171	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M-2H+NH4"	16.019271
"869152"	204.066571	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-2H+NH4"	16.019271
"35961"	397.069266	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M-2H+Na"	20.974666
"479896"	585.116566	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M-2H+Na"	20.974666
"860978"	209.021966	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-2H+Na"	20.974666
"1630511"	209.021966	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Na-2H"	20.974666
"109230"	205.028363	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M-H+Cl"	33.962126
"548792"	299.052013	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M-H+Cl"	33.962126
"940120"	111.004713	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-H+Cl"	33.962126
"281917"	411.064002	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+Cl"	34.969402
"672190"	599.111302	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+Cl"	34.969402
"1282406"	223.016702	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Cl"	34.969402
"20587"	413.043206	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M-2H+K"	36.948606
"461242"	601.090506	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M-2H+K"	36.948606
"837951"	224.995906	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-2H+K"	36.948606
"1557793"	224.995906	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+K-2H"	36.948606
"946043"	233.045494	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-H+HCOOH"	44.998194
"361561"	421.092801	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+HCOOH-H"	44.998201
"345776"	435.108451	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+Hac-H"	59.013851
"1499168"	247.061151	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Hac-H"	59.013851
"968902"	255.027451	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-H+NaCOOH"	66.980151
"120725"	223.016702	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+2Cl"	69.938804
"557370"	317.040352	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+2Cl"	69.938804
"1030542"	128.993052	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2Cl"	69.938804
"1247934"	266.966185	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Br"	78.918885
"1307099"	269.022172	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Cl+HCOOH"	80.974872
"1323500"	291.004129	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Cl+NaCOOH"	102.956829
"924410"	301.032886	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M-H+CF3COOH"	112.985586
"1300755"	337.009564	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Cl+CF3COOH"	148.962264
"1374907"	153.034624	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H-2H2O"	-35.012676
"1391310"	171.0446	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H-H2O"	-17.0027
"287713"	377.101876	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+H"	1.007276
"687793"	565.149176	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+H"	1.007276
"1356486"	189.054576	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H"	1.007276
"134849"	189.054576	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+2H"	2.014552
"574408"	283.078226	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+2H"	2.014552
"1046487"	95.030926	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2H"	2.014552
"213296"	126.372142666667	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+3H"	3.021828
"656138"	189.054576	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+3H"	3.021828
"1172073"	63.6897093333333	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+3H"	3.021828
"433159"	394.128423	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+NH4"	18.033823
"796345"	582.175723	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+NH4"	18.033823
"1696741"	206.081123	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+NH4"	18.033823
"345346"	197.5678495	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+H+NH4"	19.041099
"738405"	291.5914995	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+H+NH4"	19.041099
"1491220"	103.5441995	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H+NH4"	19.041099
"408238"	399.083818	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+Na"	22.989218
"769191"	587.131118	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+Na"	22.989218
"1617977"	211.036518	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Na"	22.989218
"329758"	200.045547	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+H+Na"	23.996494
"722668"	294.069197	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+H+Na"	23.996494
"1476356"	106.021897	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H+Na"	23.996494
"1068189"	71.0170233333333	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2H+Na"	25.00377
"1272250"	221.080786	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+CH3OH+H"	33.033486
"391673"	415.057758	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+K"	38.963158
"751951"	603.105058	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+K"	38.963158
"1553266"	227.010458	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+K"	38.963158
"312628"	208.032517	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+H+K"	39.970434
"705780"	302.056167	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+H+K"	39.970434
"1461145"	114.008867	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H+K"	39.970434
"250024"	418.128426	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+ACN+H"	42.033826
"1223461"	230.081126	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+ACN+H"	42.033826
"1206249"	115.544201	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+ACN+2H"	43.041102
"200212"	421.06576	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+2Na-H"	44.97116
"640874"	609.11306	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+2Na-H"	44.97116
"1145107"	233.01846	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2Na-H"	44.97116
"185482"	211.036518	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+2Na"	45.978436
"624679"	305.060168	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+2Na"	45.978436
"1128182"	117.012868	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2Na"	45.978436
"1411345"	78.3443373333333	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H+2Na"	46.985712
"1443094"	235.060046	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H+HCOOH"	47.012746
"221128"	216.06954	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+3H2O+2H"	56.04448
"1512105"	249.11209	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+IsoProp+H"	61.06479
"413977"	219.023488	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+Na+K"	61.952376
"776064"	313.047138	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+Na+K"	61.952376
"1668021"	124.999838	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Na+K"	61.952376
"253086"	440.110368	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+ACN+Na"	64.015768
"1230533"	252.063068	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+ACN+Na"	64.015768
"1715042"	252.086593	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+NH4+HCOOH"	64.039293
"1179305"	85.6716513333333	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+3Na"	68.967654
"1654665"	257.041988	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Na+HCOOH"	68.994688
"161527"	453.01364	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+2K-H"	76.91904
"601088"	641.06094	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+2K-H"	76.91904
"1085231"	264.96634	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2K-H"	76.91904
"156854"	227.010458	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"2M+2K"	77.926316
"595968"	321.034108	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"3M+2K"	77.926316
"1083845"	132.986808	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2K"	77.926316
"1113570"	266.980892	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2K+H"	78.933592
"1349223"	267.068507	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+DMSO+H"	79.021207
"1018850"	271.107676	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2ACN+H"	83.060376
"1537585"	272.101308	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+IsoProp+Na+H"	84.054008
"1005404"	136.057476	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+2ACN+2H"	84.067652
"1600107"	273.015928	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+K+HCOOH"	84.968628
"1424672"	303.047438	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+H+CF3COOH"	115.000138
"1157148"	156.570751	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+3ACN+2H"	125.094202
"1706699"	320.073985	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+NH4+CF3COOH"	132.026685
"1644537"	325.02938	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+Na+CF3COOH"	136.98208
"1575814"	341.00332	"C16212"	"3-Hydroxy-2-naphthoate"	"C11H8O3"	"188.0473"	"M+K+CF3COOH"	152.95602
"811648"	160.0524	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M"	0
"984088"	141.03401	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H2O-H"	-19.01839
"64674"	105.694324	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-3H"	-3.021828
"511891"	159.045124	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-3H"	-3.021828
"885320"	52.343524	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-3H"	-3.021828
"4988"	159.045124	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H"	-2.014552
"440537"	239.071324	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H"	-2.014552
"817275"	79.018924	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H"	-2.014552
"83441"	319.097524	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-H"	-1.007276
"529563"	479.149924	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-H"	-1.007276
"897524"	159.045124	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H"	-1.007276
"50802"	336.124071	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H+NH4"	16.019271
"490364"	496.176471	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H+NH4"	16.019271
"868166"	176.071671	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H+NH4"	16.019271
"37164"	341.079466	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H+Na"	20.974666
"480006"	501.131866	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H+Na"	20.974666
"862913"	181.027066	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H+Na"	20.974666
"1631715"	181.027066	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na-2H"	20.974666
"107883"	177.033463	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-H+Cl"	33.962126
"540154"	257.059663	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-H+Cl"	33.962126
"935856"	97.007263	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+Cl"	33.962126
"271132"	355.074202	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Cl"	34.969402
"666831"	515.126602	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+Cl"	34.969402
"1277047"	195.021802	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl"	34.969402
"16192"	357.053406	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M-2H+K"	36.948606
"456488"	517.105806	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M-2H+K"	36.948606
"832793"	197.001006	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-2H+K"	36.948606
"1555596"	197.001006	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K-2H"	36.948606
"942900"	205.050594	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+HCOOH"	44.998194
"361521"	365.103001	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+HCOOH-H"	44.998201
"346063"	379.118651	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Hac-H"	59.013851
"1493806"	219.066251	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Hac-H"	59.013851
"964636"	227.032551	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+NaCOOH"	66.980151
"121926"	195.021802	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2Cl"	69.938804
"559666"	275.048002	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2Cl"	69.938804
"1028100"	114.995602	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2Cl"	69.938804
"1248043"	238.971285	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Br"	78.918885
"1311949"	241.027272	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl+HCOOH"	80.974872
"1320694"	263.009229	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl+NaCOOH"	102.956829
"923420"	273.037986	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M-H+CF3COOH"	112.985586
"1297944"	309.014664	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Cl+CF3COOH"	148.962264
"1371363"	125.039724	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H-2H2O"	-35.012676
"1385579"	143.0497	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H-H2O"	-17.0027
"283554"	321.112076	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H"	1.007276
"676340"	481.164476	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H"	1.007276
"1356596"	161.059676	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H"	1.007276
"137145"	161.059676	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2H"	2.014552
"576704"	241.085876	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2H"	2.014552
"1047690"	81.033476	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2H"	2.014552
"216321"	107.708876	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+3H"	3.021828
"657708"	161.059676	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+3H"	3.021828
"1172184"	54.358076	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+3H"	3.021828
"435457"	338.138623	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+NH4"	18.033823
"798277"	498.191023	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+NH4"	18.033823
"1696445"	178.086223	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+NH4"	18.033823
"345089"	169.5729495	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H+NH4"	19.041099
"738394"	249.5991495	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H+NH4"	19.041099
"1492340"	89.5467495	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+NH4"	19.041099
"408269"	343.094018	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Na"	22.989218
"769542"	503.146418	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+Na"	22.989218
"1616907"	183.041618	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na"	22.989218
"329621"	172.050647	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H+Na"	23.996494
"721556"	252.076847	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H+Na"	23.996494
"1474647"	92.024447	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+Na"	23.996494
"1067893"	61.68539	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2H+Na"	25.00377
"1271755"	193.085886	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+CH3OH+H"	33.033486
"391055"	359.067958	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+K"	38.963158
"753920"	519.120358	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+K"	38.963158
"1553991"	199.015558	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K"	38.963158
"313226"	180.037617	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+H+K"	39.970434
"706377"	260.063817	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+H+K"	39.970434
"1460682"	100.011417	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+K"	39.970434
"249653"	362.138626	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+ACN+H"	42.033826
"1223575"	202.086226	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+ACN+H"	42.033826
"1208548"	101.546751	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+ACN+2H"	43.041102
"198135"	365.07596	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2Na-H"	44.97116
"638798"	525.12836	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2Na-H"	44.97116
"1143396"	205.02356	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2Na-H"	44.97116
"184135"	183.041618	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2Na"	45.978436
"622969"	263.067818	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2Na"	45.978436
"1127200"	103.015418	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2Na"	45.978436
"1407809"	69.012704	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+2Na"	46.985712
"1439925"	207.065146	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+HCOOH"	47.012746
"220508"	188.07464	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+3H2O+2H"	56.04448
"1509662"	221.11719	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+IsoProp+H"	61.06479
"410442"	191.028588	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+Na+K"	61.952376
"776174"	271.054788	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+Na+K"	61.952376
"1668131"	111.002388	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na+K"	61.952376
"254652"	384.120568	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+ACN+Na"	64.015768
"1229548"	224.068168	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+ACN+Na"	64.015768
"1715150"	224.091693	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+NH4+HCOOH"	64.039293
"1181968"	76.340018	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+3Na"	68.967654
"1654048"	229.047088	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na+HCOOH"	68.994688
"159450"	397.02384	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2K-H"	76.91904
"603751"	557.07624	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2K-H"	76.91904
"1090085"	236.97144	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2K-H"	76.91904
"157045"	199.015558	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"2M+2K"	77.926316
"595227"	279.041758	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"3M+2K"	77.926316
"1083750"	118.989358	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2K"	77.926316
"1115138"	238.985992	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2K+H"	78.933592
"1349333"	239.073607	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+DMSO+H"	79.021207
"1014584"	243.112776	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2ACN+H"	83.060376
"1537083"	244.106408	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+IsoProp+Na+H"	84.054008
"1003531"	122.060026	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+2ACN+2H"	84.067652
"1600220"	245.021028	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K+HCOOH"	84.968628
"1429157"	275.052538	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+H+CF3COOH"	115.000138
"1162693"	142.573301	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+3ACN+2H"	125.094202
"1710088"	292.079085	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+NH4+CF3COOH"	132.026685
"1644647"	297.03448	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+Na+CF3COOH"	136.98208
"1582485"	313.00842	"C16213"	"23-Dihydroxynaphthalene"	"C10H8O2"	"160.0524"	"M+K+CF3COOH"	152.95602
"806290"	220.0372	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M"	0
"986384"	201.01881	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-H2O-H"	-19.01839
"65877"	145.684190666667	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M-3H"	-3.021828
"510908"	219.029924	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M-3H"	-3.021828
"885430"	72.3384573333333	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-3H"	-3.021828
"7285"	219.029924	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M-2H"	-2.014552
"442470"	329.048524	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M-2H"	-2.014552
"818567"	109.011324	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-2H"	-2.014552
"84644"	439.067124	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M-H"	-1.007276
"529673"	659.104324	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M-H"	-1.007276
"904195"	219.029924	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-H"	-1.007276
"53101"	456.093671	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M-2H+NH4"	16.019271
"491568"	676.130871	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M-2H+NH4"	16.019271
"867911"	236.056471	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-2H+NH4"	16.019271
"39462"	461.049066	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M-2H+Na"	20.974666
"483397"	681.086266	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M-2H+Na"	20.974666
"862294"	241.011866	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-2H+Na"	20.974666
"1631825"	241.011866	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Na-2H"	20.974666
"106171"	237.018263	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M-H+Cl"	33.962126
"536984"	347.036863	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M-H+Cl"	33.962126
"933779"	126.999663	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-H+Cl"	33.962126
"270148"	475.043802	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+Cl"	34.969402
"663661"	695.081002	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+Cl"	34.969402
"1273875"	255.006602	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Cl"	34.969402
"16102"	477.023006	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M-2H+K"	36.948606
"456962"	697.060206	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M-2H+K"	36.948606
"833305"	256.985806	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-2H+K"	36.948606
"1555626"	256.985806	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+K-2H"	36.948606
"943581"	265.035394	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-H+HCOOH"	44.998194
"362651"	485.072601	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+HCOOH-H"	44.998201
"346903"	499.088251	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+Hac-H"	59.013851
"1494280"	279.051051	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Hac-H"	59.013851
"964017"	287.017351	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-H+NaCOOH"	66.980151
"120579"	255.006602	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+2Cl"	69.938804
"556496"	365.025202	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+2Cl"	69.938804
"1029668"	144.988002	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2Cl"	69.938804
"1246693"	298.956085	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Br"	78.918885
"1311694"	301.012072	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Cl+HCOOH"	80.974872
"1320682"	322.994029	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Cl+NaCOOH"	102.956829
"920251"	333.022786	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M-H+CF3COOH"	112.985586
"1298053"	368.999464	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Cl+CF3COOH"	148.962264
"1377306"	185.024524	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H-2H2O"	-35.012676
"1387150"	203.0345	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H-H2O"	-17.0027
"285013"	441.081676	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+H"	1.007276
"676336"	661.118876	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+H"	1.007276
"1355247"	221.044476	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H"	1.007276
"138348"	221.044476	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+2H"	2.014552
"576814"	331.063076	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+2H"	2.014552
"1048894"	111.025876	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2H"	2.014552
"215701"	147.698742666667	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+3H"	3.021828
"654171"	221.044476	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+3H"	3.021828
"1172294"	74.3530093333333	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+3H"	3.021828
"434474"	458.108223	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+NH4"	18.033823
"798387"	678.145423	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+NH4"	18.033823
"1696554"	238.071023	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+NH4"	18.033823
"345399"	229.5577495	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+H+NH4"	19.041099
"737822"	339.5763495	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+H+NH4"	19.041099
"1492040"	119.5391495	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H+NH4"	19.041099
"407809"	463.063618	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+Na"	22.989218
"768802"	683.100818	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+Na"	22.989218
"1617016"	243.026418	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Na"	22.989218
"327054"	232.035447	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+H+Na"	23.996494
"721545"	342.054047	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+H+Na"	23.996494
"1473661"	122.016847	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H+Na"	23.996494
"1066905"	81.6803233333333	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2H+Na"	25.00377
"1270406"	253.070686	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+CH3OH+H"	33.033486
"391165"	479.037558	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+K"	38.963158
"750341"	699.074758	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+K"	38.963158
"1553734"	259.000358	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+K"	38.963158
"310662"	240.022417	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+H+K"	39.970434
"698710"	350.041017	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+H+K"	39.970434
"1459092"	130.003817	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H+K"	39.970434
"248786"	482.108226	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+ACN+H"	42.033826
"1218214"	262.071026	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+ACN+H"	42.033826
"1201002"	131.539151	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+ACN+2H"	43.041102
"198244"	485.04556	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+2Na-H"	44.97116
"638904"	705.08276	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+2Na-H"	44.97116
"1143504"	265.00836	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2Na-H"	44.97116
"183881"	243.026418	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+2Na"	45.978436
"621986"	353.045018	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+2Na"	45.978436
"1126217"	133.007818	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2Na"	45.978436
"1410106"	89.0076373333333	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H+2Na"	46.985712
"1441857"	267.049946	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H+HCOOH"	47.012746
"220124"	248.05944	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+3H2O+2H"	56.04448
"1510258"	281.10199	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+IsoProp+H"	61.06479
"411279"	251.013388	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+Na+K"	61.952376
"772637"	361.031988	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+Na+K"	61.952376
"1666052"	140.994788	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Na+K"	61.952376
"254033"	504.090168	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+ACN+Na"	64.015768
"1228198"	284.052968	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+ACN+Na"	64.015768
"1714894"	284.076493	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+NH4+HCOOH"	64.039293
"1180619"	96.3349513333333	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+3Na"	68.967654
"1653065"	289.031888	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Na+HCOOH"	68.994688
"158467"	516.99344	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+2K-H"	76.91904
"603496"	737.03064	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+2K-H"	76.91904
"1091288"	296.95624	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2K-H"	76.91904
"156586"	259.000358	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"2M+2K"	77.926316
"592052"	369.018958	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"3M+2K"	77.926316
"1082403"	148.981758	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2K"	77.926316
"1114641"	298.970792	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2K+H"	78.933592
"1349808"	299.058407	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+DMSO+H"	79.021207
"1017976"	303.097576	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2ACN+H"	83.060376
"1536832"	304.091208	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+IsoProp+Na+H"	84.054008
"1003641"	152.052426	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+2ACN+2H"	84.067652
"1600332"	305.005828	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+K+HCOOH"	84.968628
"1429756"	335.037338	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+H+CF3COOH"	115.000138
"1160648"	172.565701	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+3ACN+2H"	125.094202
"1706918"	352.063885	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+NH4+CF3COOH"	132.026685
"1644757"	357.01928	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+Na+CF3COOH"	136.98208
"1582595"	372.99322	"C16214"	"3-6-(Carboxymethylene)cyclohexa-24-dien-1-ylidene-2-oxopropanate"	"C11H8O5"	"220.0372"	"M+K+CF3COOH"	152.95602
"806400"	168.0423	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M"	0
"988681"	149.02391	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-H2O-H"	-19.01839
"66353"	111.020924	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M-3H"	-3.021828
"512112"	167.035024	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M-3H"	-3.021828
"891008"	55.006824	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-3H"	-3.021828
"8489"	167.035024	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M-2H"	-2.014552
"445863"	251.056174	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M-2H"	-2.014552
"818559"	83.013874	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-2H"	-2.014552
"85848"	335.077324	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M-H"	-1.007276
"532942"	503.119624	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M-H"	-1.007276
"907585"	167.035024	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-H"	-1.007276
"56494"	352.103871	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M-2H+NH4"	16.019271
"493867"	520.146171	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M-2H+NH4"	16.019271
"868387"	184.061571	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-2H+NH4"	16.019271
"41759"	357.059266	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M-2H+Na"	20.974666
"484606"	525.101566	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M-2H+Na"	20.974666
"862041"	189.016966	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-2H+Na"	20.974666
"1632306"	189.016966	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Na-2H"	20.974666
"108833"	185.023363	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M-H+Cl"	33.962126
"538188"	269.044513	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M-H+Cl"	33.962126
"934981"	101.002213	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-H+Cl"	33.962126
"272444"	371.054002	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+Cl"	34.969402
"661583"	539.096302	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+Cl"	34.969402
"1274107"	203.011702	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Cl"	34.969402
"22011"	373.033206	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M-2H+K"	36.948606
"459387"	541.075506	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M-2H+K"	36.948606
"833661"	204.990906	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-2H+K"	36.948606
"1556173"	204.990906	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+K-2H"	36.948606
"947464"	213.040494	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-H+HCOOH"	44.998194
"364587"	381.082801	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+HCOOH-H"	44.998201
"352850"	395.098451	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+Hac-H"	59.013851
"1499496"	227.056151	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Hac-H"	59.013851
"964488"	235.022451	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-H+NaCOOH"	66.980151
"114488"	203.011702	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+2Cl"	69.938804
"555148"	287.032852	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+2Cl"	69.938804
"1030144"	118.990552	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2Cl"	69.938804
"1249723"	246.961185	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Br"	78.918885
"1308161"	249.017172	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Cl+HCOOH"	80.974872
"1323104"	270.999129	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Cl+NaCOOH"	102.956829
"919997"	281.027886	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M-H+CF3COOH"	112.985586
"1300351"	317.004564	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Cl+CF3COOH"	148.962264
"1373409"	133.029624	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H-2H2O"	-35.012676
"1385071"	151.0396	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H-H2O"	-17.0027
"283904"	337.091876	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+H"	1.007276
"678275"	505.134176	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+H"	1.007276
"1359002"	169.049576	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H"	1.007276
"130798"	169.049576	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+2H"	2.014552
"578017"	253.070726	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+2H"	2.014552
"1044629"	85.028426	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2H"	2.014552
"210342"	113.035476	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+3H"	3.021828
"649901"	169.049576	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+3H"	3.021828
"1178406"	57.021376	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+3H"	3.021828
"439774"	354.118423	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+NH4"	18.033823
"801061"	522.160723	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+NH4"	18.033823
"1696627"	186.076123	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+NH4"	18.033823
"345474"	177.5628495	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+H+NH4"	19.041099
"738339"	261.5839995	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+H+NH4"	19.041099
"1492401"	93.5416995	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H+NH4"	19.041099
"401837"	359.073818	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+Na"	22.989218
"769519"	527.116118	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+Na"	22.989218
"1616398"	191.031518	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Na"	22.989218
"328624"	180.040547	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+H+Na"	23.996494
"721652"	264.061697	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+H+Na"	23.996494
"1475954"	96.019397	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H+Na"	23.996494
"1067864"	64.34869	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2H+Na"	25.00377
"1271854"	201.075786	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+CH3OH+H"	33.033486
"392253"	375.047758	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+K"	38.963158
"751914"	543.090058	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+K"	38.963158
"1553484"	207.005458	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+K"	38.963158
"313325"	188.027517	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+H+K"	39.970434
"705380"	272.048667	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+H+K"	39.970434
"1459202"	104.006367	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H+K"	39.970434
"244522"	378.118426	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+ACN+H"	42.033826
"1219415"	210.076126	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+ACN+H"	42.033826
"1204389"	105.541701	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+ACN+2H"	43.041102
"199446"	381.05576	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+2Na-H"	44.97116
"639014"	549.09806	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+2Na-H"	44.97116
"1143982"	213.01346	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2Na-H"	44.97116
"180347"	191.031518	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+2Na"	45.978436
"623191"	275.052668	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+2Na"	45.978436
"1126696"	107.010368	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2Na"	45.978436
"1406209"	71.676004	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H+2Na"	46.985712
"1436867"	215.055046	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H+HCOOH"	47.012746
"221214"	196.06454	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+3H2O+2H"	56.04448
"1509395"	229.10709	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+IsoProp+H"	61.06479
"408633"	199.018488	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+Na+K"	61.952376
"770479"	283.039638	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+Na+K"	61.952376
"1666648"	114.997338	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Na+K"	61.952376
"251954"	400.100368	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+ACN+Na"	64.015768
"1225756"	232.058068	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+ACN+Na"	64.015768
"1712763"	232.081593	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+NH4+HCOOH"	64.039293
"1179634"	79.003318	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+3Na"	68.967654
"1651348"	237.036988	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Na+HCOOH"	68.994688
"159670"	413.00364	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+2K-H"	76.91904
"599596"	581.04594	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+2K-H"	76.91904
"1087756"	244.96134	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2K-H"	76.91904
"155765"	207.005458	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"2M+2K"	77.926316
"595087"	291.026608	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"3M+2K"	77.926316
"1081417"	122.984308	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2K"	77.926316
"1111714"	246.975892	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2K+H"	78.933592
"1344088"	247.063507	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+DMSO+H"	79.021207
"1015900"	251.102676	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2ACN+H"	83.060376
"1532928"	252.096308	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+IsoProp+Na+H"	84.054008
"1003750"	126.054976	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+2ACN+2H"	84.067652
"1600440"	253.010928	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+K+HCOOH"	84.968628
"1429014"	283.042438	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+H+CF3COOH"	115.000138
"1161852"	146.568251	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+3ACN+2H"	125.094202
"1710675"	300.068985	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+NH4+CF3COOH"	132.026685
"1647053"	305.02438	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+Na+CF3COOH"	136.98208
"1579424"	320.99832	"C16215"	"12-Dihydrophthalic acid;Cyclohexa-35-diene-12-dicarboxylate"	"C8H8O4"	"168.0423"	"M+K+CF3COOH"	152.95602
"803230"	1047.3554	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M"	0
"985511"	1028.33701	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H2O-H"	-19.01839
"63912"	697.229657333333	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-3H"	-3.021828
"512222"	1046.348124	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-3H"	-3.021828
"890025"	348.111190666667	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-3H"	-3.021828
"8599"	1046.348124	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H"	-2.014552
"443057"	1570.025824	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H"	-2.014552
"817141"	522.670424	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H"	-2.014552
"85958"	2093.703524	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-H"	-1.007276
"532445"	3141.058924	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-H"	-1.007276
"907696"	1046.348124	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H"	-1.007276
"54414"	2110.730071	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H+NH4"	16.019271
"493977"	3158.085471	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H+NH4"	16.019271
"867402"	1063.374671	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H+NH4"	16.019271
"41869"	2115.685466	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H+Na"	20.974666
"483985"	3163.040866	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H+Na"	20.974666
"860329"	1068.330066	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H+Na"	20.974666
"1632050"	1068.330066	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na-2H"	20.974666
"109186"	1064.336463	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-H+Cl"	33.962126
"535502"	1588.014163	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-H+Cl"	33.962126
"930717"	540.658763	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+Cl"	33.962126
"270367"	2129.680202	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Cl"	34.969402
"660595"	3177.035602	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+Cl"	34.969402
"1275188"	1082.324802	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl"	34.969402
"22121"	2131.659406	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H+K"	36.948606
"458401"	3179.014806	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H+K"	36.948606
"833769"	1084.304006	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H+K"	36.948606
"1556649"	1084.304006	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K-2H"	36.948606
"947574"	1092.353594	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+HCOOH"	44.998194
"365790"	2139.709001	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+HCOOH-H"	44.998201
"353324"	2153.724651	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Hac-H"	59.013851
"1501792"	1106.369251	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Hac-H"	59.013851
"964233"	1114.335551	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+NaCOOH"	66.980151
"115691"	1082.324802	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2Cl"	69.938804
"555987"	1606.002502	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2Cl"	69.938804
"1031712"	558.647102	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2Cl"	69.938804
"1250562"	1126.274285	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Br"	78.918885
"1309364"	1128.330272	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl+HCOOH"	80.974872
"1322850"	1150.312229	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl+NaCOOH"	102.956829
"921564"	1160.340986	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+CF3COOH"	112.985586
"1293898"	1196.317664	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl+CF3COOH"	148.962264
"1374247"	1012.342724	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H-2H2O"	-35.012676
"1385545"	1030.3527	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H-H2O"	-17.0027
"283326"	2095.718076	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H"	1.007276
"678020"	3143.073476	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H"	1.007276
"1352666"	1048.362676	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H"	1.007276
"126529"	1048.362676	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2H"	2.014552
"573749"	1572.040376	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2H"	2.014552
"1049109"	524.684976	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2H"	2.014552
"213730"	699.244209333333	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+3H"	3.021828
"652197"	1048.362676	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+3H"	3.021828
"1176770"	350.125742666667	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+3H"	3.021828
"439193"	2112.744623	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+NH4"	18.033823
"801268"	3160.100023	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+NH4"	18.033823
"1696692"	1065.389223	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+NH4"	18.033823
"345582"	1056.8759495	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H+NH4"	19.041099
"738207"	1580.5536495	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H+NH4"	19.041099
"1491902"	533.1982495	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+NH4"	19.041099
"408110"	2117.700018	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Na"	22.989218
"769142"	3165.055418	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+Na"	22.989218
"1617966"	1070.344618	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na"	22.989218
"328368"	1059.353647	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H+Na"	23.996494
"721883"	1583.031347	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H+Na"	23.996494
"1473877"	535.675947	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+Na"	23.996494
"1068299"	357.453056666667	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2H+Na"	25.00377
"1271358"	1080.388886	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+CH3OH+H"	33.033486
"392120"	2133.673958	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+K"	38.963158
"752753"	3181.029358	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+K"	38.963158
"1555048"	1086.318558	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K"	38.963158
"313641"	1067.340617	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H+K"	39.970434
"705490"	1591.018317	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H+K"	39.970434
"1457126"	543.662917	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+K"	39.970434
"244632"	2136.744626	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+ACN+H"	42.033826
"1217338"	1089.389226	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+ACN+H"	42.033826
"1204499"	545.198251	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+ACN+2H"	43.041102
"196275"	2139.68196	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2Na-H"	44.97116
"640216"	3187.03736	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2Na-H"	44.97116
"1143363"	1092.32656	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2Na-H"	44.97116
"180823"	1070.344618	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2Na"	45.978436
"623663"	1594.022318	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2Na"	45.978436
"1124983"	546.666918	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2Na"	45.978436
"1404132"	364.780370666667	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+2Na"	46.985712
"1439163"	1094.368146	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+HCOOH"	47.012746
"226670"	1075.37764	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+3H2O+2H"	56.04448
"1509383"	1108.42019	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+IsoProp+H"	61.06479
"409679"	1078.331588	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Na+K"	61.952376
"770549"	1602.009288	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+Na+K"	61.952376
"1665821"	554.653888	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na+K"	61.952376
"251942"	2158.726568	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+ACN+Na"	64.015768
"1225744"	1111.371168	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+ACN+Na"	64.015768
"1712881"	1111.394693	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+NH4+HCOOH"	64.039293
"1179379"	372.107684666667	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+3Na"	68.967654
"1651459"	1116.350088	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na+HCOOH"	68.994688
"159051"	2171.62984	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2K-H"	76.91904
"598977"	3218.98524	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2K-H"	76.91904
"1087501"	1124.27444	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2K-H"	76.91904
"155873"	1086.318558	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2K"	77.926316
"596651"	1609.996258	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2K"	77.926316
"1081892"	562.640858	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2K"	77.926316
"1114618"	1126.288992	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2K+H"	78.933592
"1350392"	1126.376607	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+DMSO+H"	79.021207
"1019534"	1130.415776	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2ACN+H"	83.060376
"1535225"	1131.409408	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+IsoProp+Na+H"	84.054008
"1001674"	565.711526	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2ACN+2H"	84.067652
"1599457"	1132.324028	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K+HCOOH"	84.968628
"1429489"	1162.355538	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+CF3COOH"	115.000138
"1158682"	586.224801	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+3ACN+2H"	125.094202
"1709326"	1179.382085	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+NH4+CF3COOH"	132.026685
"1647892"	1184.33748	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na+CF3COOH"	136.98208
"1579534"	1200.31142	"C16216"	"3-Oxostearoyl-CoA;3-Oxooctadecanoyl-CoA;beta-Ketostearoyl-CoA;3-Ketostearoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K+CF3COOH"	152.95602
"803340"	1049.3711	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M"	0
"986714"	1030.35271	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-H2O-H"	-19.01839
"63293"	698.573457333333	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M-3H"	-3.021828
"511239"	1048.363824	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M-3H"	-3.021828
"889042"	348.783090666667	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-3H"	-3.021828
"7616"	1048.363824	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M-2H"	-2.014552
"442803"	1573.049374	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M-2H"	-2.014552
"817277"	523.678274	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-2H"	-2.014552
"84972"	2097.734924	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M-H"	-1.007276
"526722"	3147.106024	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M-H"	-1.007276
"906713"	1048.363824	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-H"	-1.007276
"51608"	2114.761471	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M-2H+NH4"	16.019271
"494087"	3164.132571	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M-2H+NH4"	16.019271
"866419"	1065.390371	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-2H+NH4"	16.019271
"41979"	2119.716866	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M-2H+Na"	20.974666
"483731"	3169.087966	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M-2H+Na"	20.974666
"860440"	1070.345766	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-2H+Na"	20.974666
"1632160"	1070.345766	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Na-2H"	20.974666
"108689"	1066.352163	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M-H+Cl"	33.962126
"535734"	1591.037713	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M-H+Cl"	33.962126
"929734"	541.666613	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-H+Cl"	33.962126
"269384"	2133.711602	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+Cl"	34.969402
"660256"	3183.082702	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+Cl"	34.969402
"1273596"	1084.340502	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Cl"	34.969402
"22231"	2135.690806	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M-2H+K"	36.948606
"456566"	3185.061906	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M-2H+K"	36.948606
"834489"	1086.319706	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-2H+K"	36.948606
"1557610"	1086.319706	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+K-2H"	36.948606
"945498"	1094.369294	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-H+HCOOH"	44.998194
"366993"	2143.740401	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+HCOOH-H"	44.998201
"353070"	2157.756051	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+Hac-H"	59.013851
"1501902"	1108.384951	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Hac-H"	59.013851
"965074"	1116.351251	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-H+NaCOOH"	66.980151
"117260"	1084.340502	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+2Cl"	69.938804
"555733"	1609.026052	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+2Cl"	69.938804
"1031092"	559.654952	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2Cl"	69.938804
"1249579"	1128.289985	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Br"	78.918885
"1309840"	1130.345972	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Cl+HCOOH"	80.974872
"1327335"	1152.327929	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Cl+NaCOOH"	102.956829
"920580"	1162.356686	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M-H+CF3COOH"	112.985586
"1294008"	1198.333364	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Cl+CF3COOH"	148.962264
"1374357"	1014.358424	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H-2H2O"	-35.012676
"1383833"	1032.3684	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H-H2O"	-17.0027
"283152"	2099.749476	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+H"	1.007276
"675936"	3149.120576	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+H"	1.007276
"1351639"	1050.378376	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H"	1.007276
"126271"	1050.378376	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+2H"	2.014552
"565911"	1575.063926	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+2H"	2.014552
"1037212"	525.692826	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2H"	2.014552
"207278"	700.588009333333	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+3H"	3.021828
"651214"	1050.378376	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+3H"	3.021828
"1177001"	350.797642666667	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+3H"	3.021828
"439509"	2116.776023	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+NH4"	18.033823
"801244"	3166.147123	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+NH4"	18.033823
"1696850"	1067.404923	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+NH4"	18.033823
"345686"	1058.8916495	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+H+NH4"	19.041099
"738500"	1583.5771995	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+H+NH4"	19.041099
"1492620"	534.2060995	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H+NH4"	19.041099
"408508"	2121.731418	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+Na"	22.989218
"769936"	3171.102518	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+Na"	22.989218
"1615524"	1072.360318	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Na"	22.989218
"328843"	1061.369347	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+H+Na"	23.996494
"722479"	1586.054897	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+H+Na"	23.996494
"1473987"	536.683797	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H+Na"	23.996494
"1067233"	358.124956666667	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2H+Na"	25.00377
"1272197"	1082.404586	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+CH3OH+H"	33.033486
"391741"	2137.705358	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+K"	38.963158
"752863"	3187.076458	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+K"	38.963158
"1554912"	1088.334258	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+K"	38.963158
"313182"	1069.356317	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+H+K"	39.970434
"705236"	1594.041867	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+H+K"	39.970434
"1459421"	544.670767	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H+K"	39.970434
"245835"	2140.776026	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+ACN+H"	42.033826
"1214168"	1091.404926	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+ACN+H"	42.033826
"1205702"	546.206101	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+ACN+2H"	43.041102
"199665"	2143.71336	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+2Na-H"	44.97116
"640326"	3193.08446	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+2Na-H"	44.97116
"1142382"	1094.34226	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2Na-H"	44.97116
"179839"	1072.360318	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+2Na"	45.978436
"625596"	1597.045868	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+2Na"	45.978436
"1125822"	547.674768	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2Na"	45.978436
"1402420"	365.452270666667	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H+2Na"	46.985712
"1437451"	1096.383846	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H+HCOOH"	47.012746
"223500"	1077.39334	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+3H2O+2H"	56.04448
"1508800"	1110.43589	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+IsoProp+H"	61.06479
"408656"	1080.347288	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+Na+K"	61.952376
"774427"	1605.032838	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+Na+K"	61.952376
"1665606"	555.661738	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Na+K"	61.952376
"252175"	2162.757968	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+ACN+Na"	64.015768
"1225804"	1113.386868	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+ACN+Na"	64.015768
"1713081"	1113.410393	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+NH4+HCOOH"	64.039293
"1178882"	372.779584666667	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+3Na"	68.967654
"1651569"	1118.365788	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Na+HCOOH"	68.994688
"157580"	2175.66124	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+2K-H"	76.91904
"602003"	3225.03234	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+2K-H"	76.91904
"1089069"	1126.29014	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2K-H"	76.91904
"155862"	1088.334258	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"2M+2K"	77.926316
"596684"	1613.019808	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"3M+2K"	77.926316
"1082972"	563.648708	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2K"	77.926316
"1115088"	1128.304692	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2K+H"	78.933592
"1350381"	1128.392307	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+DMSO+H"	79.021207
"1018671"	1132.431476	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2ACN+H"	83.060376
"1536430"	1133.425108	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+IsoProp+Na+H"	84.054008
"1003607"	566.719376	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+2ACN+2H"	84.067652
"1599567"	1134.339728	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+K+HCOOH"	84.968628
"1429599"	1164.371238	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+H+CF3COOH"	115.000138
"1158792"	587.232651	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+3ACN+2H"	125.094202
"1709436"	1181.397785	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+NH4+CF3COOH"	132.026685
"1645086"	1186.35318	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+Na+CF3COOH"	136.98208
"1579644"	1202.32712	"C16217"	"3-Hydroxyoctadecanoyl-CoA;3-Hydroxystearoyl-CoA;beta-Hydroxystearoyl-CoA"	"C39H70N7O18P3S"	"1049.3711"	"M+K+CF3COOH"	152.95602
"804543"	1031.3605	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M"	0
"986824"	1012.34211	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H2O-H"	-19.01839
"64132"	686.566390666667	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-3H"	-3.021828
"511349"	1030.353224	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-3H"	-3.021828
"888059"	342.779557333333	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-3H"	-3.021828
"7726"	1030.353224	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H"	-2.014552
"442913"	1546.033474	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H"	-2.014552
"817593"	514.672974	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H"	-2.014552
"83989"	2061.713724	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-H"	-1.007276
"529018"	3093.074224	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-H"	-1.007276
"906095"	1030.353224	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H"	-1.007276
"51354"	2078.740271	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H+NH4"	16.019271
"494197"	3110.100771	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H+NH4"	16.019271
"868716"	1047.379771	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H+NH4"	16.019271
"41726"	2083.695666	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H+Na"	20.974666
"482747"	3115.056166	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H+Na"	20.974666
"859457"	1052.335166	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H+Na"	20.974666
"1630083"	1052.335166	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na-2H"	20.974666
"106977"	1048.341563	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-H+Cl"	33.962126
"535603"	1564.021813	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-H+Cl"	33.962126
"930938"	532.661313	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+Cl"	33.962126
"270587"	2097.690402	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Cl"	34.969402
"660694"	3129.050902	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+Cl"	34.969402
"1274315"	1066.329902	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl"	34.969402
"22341"	2099.669606	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M-2H+K"	36.948606
"456676"	3131.030106	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M-2H+K"	36.948606
"832972"	1068.309106	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-2H+K"	36.948606
"1555813"	1068.309106	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K-2H"	36.948606
"942872"	1076.358694	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+HCOOH"	44.998194
"365280"	2107.719201	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+HCOOH-H"	44.998201
"349897"	2121.734851	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Hac-H"	59.013851
"1500919"	1090.374351	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Hac-H"	59.013851
"963361"	1098.340651	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+NaCOOH"	66.980151
"115184"	1066.329902	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2Cl"	69.938804
"558030"	1582.010152	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2Cl"	69.938804
"1030110"	550.649652	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2Cl"	69.938804
"1250782"	1110.279385	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Br"	78.918885
"1312135"	1112.335372	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl+HCOOH"	80.974872
"1327445"	1134.317329	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl+NaCOOH"	102.956829
"919597"	1144.346086	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M-H+CF3COOH"	112.985586
"1295211"	1180.322764	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Cl+CF3COOH"	148.962264
"1376654"	996.347824	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H-2H2O"	-35.012676
"1385401"	1014.3578	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H-H2O"	-17.0027
"283344"	2063.728276	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H"	1.007276
"676085"	3095.088776	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H"	1.007276
"1352397"	1032.367776	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H"	1.007276
"126743"	1032.367776	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2H"	2.014552
"566425"	1548.048026	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2H"	2.014552
"1037254"	516.687526	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2H"	2.014552
"207388"	688.580942666667	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+3H"	3.021828
"649136"	1032.367776	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+3H"	3.021828
"1172734"	344.794109333333	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+3H"	3.021828
"439538"	2080.754823	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+NH4"	18.033823
"801191"	3112.115323	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+NH4"	18.033823
"1696864"	1049.394323	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+NH4"	18.033823
"345482"	1040.8810495	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H+NH4"	19.041099
"738386"	1556.5612995	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H+NH4"	19.041099
"1492000"	525.2007995	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+NH4"	19.041099
"407519"	2085.710218	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Na"	22.989218
"769240"	3117.070718	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+Na"	22.989218
"1616972"	1054.349718	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na"	22.989218
"329318"	1043.358747	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H+Na"	23.996494
"721982"	1559.038997	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H+Na"	23.996494
"1474099"	527.678497	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+Na"	23.996494
"1065156"	352.121423333333	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2H+Na"	25.00377
"1270969"	1064.393986	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+CH3OH+H"	33.033486
"391974"	2101.684158	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+K"	38.963158
"751877"	3133.044658	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+K"	38.963158
"1553929"	1070.323658	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K"	38.963158
"313292"	1051.345717	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+H+K"	39.970434
"704618"	1567.025967	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+H+K"	39.970434
"1456251"	535.665467	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+K"	39.970434
"245945"	2104.754826	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+ACN+H"	42.033826
"1217558"	1073.394326	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+ACN+H"	42.033826
"1205812"	537.200801	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+ACN+2H"	43.041102
"197588"	2107.69216	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2Na-H"	44.97116
"641535"	3139.05266	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2Na-H"	44.97116
"1141761"	1076.33166	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2Na-H"	44.97116
"179949"	1054.349718	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2Na"	45.978436
"625706"	1570.029968	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2Na"	45.978436
"1124838"	538.669468	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2Na"	45.978436
"1401072"	359.448737333333	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+2Na"	46.985712
"1438290"	1078.373246	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+HCOOH"	47.012746
"224704"	1059.38274	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+3H2O+2H"	56.04448
"1508493"	1092.42529	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+IsoProp+H"	61.06479
"408577"	1062.336688	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+Na+K"	61.952376
"772351"	1578.016938	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+Na+K"	61.952376
"1665882"	546.656438	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na+K"	61.952376
"252287"	2126.736768	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+ACN+Na"	64.015768
"1225881"	1095.376268	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+ACN+Na"	64.015768
"1714975"	1095.399793	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+NH4+HCOOH"	64.039293
"1180696"	366.776051333333	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+3Na"	68.967654
"1651315"	1100.355188	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na+HCOOH"	68.994688
"157136"	2139.64004	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2K-H"	76.91904
"597775"	3171.00054	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2K-H"	76.91904
"1087355"	1108.27954	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2K-H"	76.91904
"154997"	1070.323658	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"2M+2K"	77.926316
"593584"	1586.003908	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"3M+2K"	77.926316
"1083082"	554.643408	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2K"	77.926316
"1113859"	1110.294092	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2K+H"	78.933592
"1350247"	1110.381707	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+DMSO+H"	79.021207
"1017322"	1114.420876	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2ACN+H"	83.060376
"1536540"	1115.414508	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+IsoProp+Na+H"	84.054008
"1003718"	557.714076	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+2ACN+2H"	84.067652
"1599677"	1116.329128	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K+HCOOH"	84.968628
"1429102"	1146.360638	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+H+CF3COOH"	115.000138
"1155622"	578.227351	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+3ACN+2H"	125.094202
"1704078"	1163.387185	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+NH4+CF3COOH"	132.026685
"1645196"	1168.34258	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+Na+CF3COOH"	136.98208
"1579754"	1184.31652	"C16218"	"(2E)-Octadecenoyl-CoA;trans-Octadec-2-enoyl-CoA"	"C39H68N7O17P3S"	"1031.3605"	"M+K+CF3COOH"	152.95602
"803563"	516.1268	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M"	0
"976366"	497.10841	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-H2O-H"	-19.01839
"65336"	343.077257333333	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M-3H"	-3.021828
"507083"	515.119524	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M-3H"	-3.021828
"880754"	171.034990666667	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-3H"	-3.021828
"6748"	515.119524	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M-2H"	-2.014552
"453604"	773.182924	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M-2H"	-2.014552
"830675"	257.056124	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-2H"	-2.014552
"89576"	1031.246324	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M-H"	-1.007276
"526948"	1547.373124	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M-H"	-1.007276
"905843"	515.119524	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-H"	-1.007276
"52563"	1048.272871	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M-2H+NH4"	16.019271
"494318"	1564.399671	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M-2H+NH4"	16.019271
"866652"	532.146071	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-2H+NH4"	16.019271
"35646"	1053.228266	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M-2H+Na"	20.974666
"475208"	1569.355066	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M-2H+Na"	20.974666
"848537"	537.101466	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-2H+Na"	20.974666
"1618768"	537.101466	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Na-2H"	20.974666
"97976"	533.107863	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M-H+Cl"	33.962126
"539722"	791.171263	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M-H+Cl"	33.962126
"928862"	275.044463	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-H+Cl"	33.962126
"267222"	1067.223002	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+Cl"	34.969402
"660122"	1583.349802	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+Cl"	34.969402
"1274185"	551.096202	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Cl"	34.969402
"17224"	1069.202206	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M-2H+K"	36.948606
"456785"	1585.329006	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M-2H+K"	36.948606
"839822"	553.075406	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-2H+K"	36.948606
"1562217"	553.075406	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+K-2H"	36.948606
"955572"	561.124994	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-H+HCOOH"	44.998194
"370507"	1077.251801	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+HCOOH-H"	44.998201
"355486"	1091.267451	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+Hac-H"	59.013851
"1497758"	575.140651	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Hac-H"	59.013851
"965304"	583.106951	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-H+NaCOOH"	66.980151
"115303"	551.096202	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+2Cl"	69.938804
"552676"	809.159602	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+2Cl"	69.938804
"1022932"	293.032802	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2Cl"	69.938804
"1245428"	595.045685	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Br"	78.918885
"1315531"	597.101672	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Cl+HCOOH"	80.974872
"1323185"	619.083629	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Cl+NaCOOH"	102.956829
"920804"	629.112386	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M-H+CF3COOH"	112.985586
"1297512"	665.089064	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Cl+CF3COOH"	148.962264
"1376767"	481.114124	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H-2H2O"	-35.012676
"1393172"	499.1241	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H-H2O"	-17.0027
"291763"	1033.260876	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+H"	1.007276
"678720"	1549.387676	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+H"	1.007276
"1357256"	517.134076	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H"	1.007276
"130145"	517.134076	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+2H"	2.014552
"566663"	775.197476	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+2H"	2.014552
"1051390"	259.070676	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2H"	2.014552
"218687"	345.091809333333	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+3H"	3.021828
"658376"	517.134076	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+3H"	3.021828
"1177471"	173.049542666667	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+3H"	3.021828
"438803"	1050.287423	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+NH4"	18.033823
"800284"	1566.414223	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+NH4"	18.033823
"1696256"	534.160623	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+NH4"	18.033823
"344896"	525.6473495	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+H+NH4"	19.041099
"736583"	783.7107495	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+H+NH4"	19.041099
"1490525"	267.5839495	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H+NH4"	19.041099
"405195"	1055.242818	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+Na"	22.989218
"768864"	1571.369618	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+Na"	22.989218
"1616840"	539.116018	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Na"	22.989218
"329065"	528.125047	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+H+Na"	23.996494
"721243"	786.188447	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+H+Na"	23.996494
"1474209"	270.061647	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H+Na"	23.996494
"1067218"	180.376856666667	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2H+Na"	25.00377
"1271692"	549.160286	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+CH3OH+H"	33.033486
"390992"	1071.216758	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+K"	38.963158
"750893"	1587.343558	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+K"	38.963158
"1554040"	555.089958	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+K"	38.963158
"309027"	536.112017	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+H+K"	39.970434
"706430"	794.175417	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+H+K"	39.970434
"1457090"	278.048617	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H+K"	39.970434
"243868"	1074.287426	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+ACN+H"	42.033826
"1219863"	558.160626	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+ACN+H"	42.033826
"1200104"	279.583951	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+ACN+2H"	43.041102
"189084"	1077.22476	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+2Na-H"	44.97116
"633992"	1593.35156	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+2Na-H"	44.97116
"1140776"	561.09796	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2Na-H"	44.97116
"176779"	539.116018	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+2Na"	45.978436
"623263"	797.179418	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+2Na"	45.978436
"1118750"	281.052618	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2Na"	45.978436
"1400815"	187.704170666667	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H+2Na"	46.985712
"1432931"	563.139546	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H+HCOOH"	47.012746
"223719"	544.14904	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+3H2O+2H"	56.04448
"1508629"	577.19159	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+IsoProp+H"	61.06479
"408539"	547.102988	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+Na+K"	61.952376
"769942"	805.166388	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+Na+K"	61.952376
"1666238"	289.039588	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Na+K"	61.952376
"251703"	1096.269368	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+ACN+Na"	64.015768
"1228391"	580.142568	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+ACN+Na"	64.015768
"1713633"	580.166093	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+NH4+HCOOH"	64.039293
"1182269"	195.031484666667	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+3Na"	68.967654
"1657629"	585.121488	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Na+HCOOH"	68.994688
"169604"	1109.17264	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+2K-H"	76.91904
"608436"	1625.29944	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+2K-H"	76.91904
"1091855"	593.04584	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2K-H"	76.91904
"153044"	555.089958	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"2M+2K"	77.926316
"588235"	813.153358	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"3M+2K"	77.926316
"1080035"	297.026558	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2K"	77.926316
"1108142"	595.060392	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2K+H"	78.933592
"1346350"	595.148007	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+DMSO+H"	79.021207
"1015244"	599.187176	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2ACN+H"	83.060376
"1534462"	600.180808	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+IsoProp+Na+H"	84.054008
"1003705"	300.097226	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+2ACN+2H"	84.067652
"1600513"	601.095428	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+K+HCOOH"	84.968628
"1427266"	631.126938	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+H+CF3COOH"	115.000138
"1160109"	320.610501	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+3ACN+2H"	125.094202
"1707476"	648.153485	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+NH4+CF3COOH"	132.026685
"1645312"	653.10888	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+Na+CF3COOH"	136.98208
"1576588"	669.08282	"C16222"	"Formononetin 7-O-glucoside-6-O-malonate"	"C25H24O12"	"516.1268"	"M+K+CF3COOH"	152.95602
"813514"	432.142	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M"	0
"977207"	413.12361	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-H2O-H"	-19.01839
"66542"	287.087390666667	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M-3H"	-3.021828
"507195"	431.134724	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M-3H"	-3.021828
"882081"	143.040057333333	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-3H"	-3.021828
"5765"	431.134724	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M-2H"	-2.014552
"451892"	647.205724	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M-2H"	-2.014552
"827506"	215.063724	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-2H"	-2.014552
"88593"	863.276724	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M-H"	-1.007276
"524872"	1295.418724	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M-H"	-1.007276
"904860"	431.134724	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-H"	-1.007276
"51580"	880.303271	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M-2H+NH4"	16.019271
"496616"	1312.445271	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M-2H+NH4"	16.019271
"874417"	448.161271	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-2H+NH4"	16.019271
"42318"	885.258666	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M-2H+Na"	20.974666
"478598"	1317.400666	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M-2H+Na"	20.974666
"849022"	453.116666	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-2H+Na"	20.974666
"1618721"	453.116666	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Na-2H"	20.974666
"103553"	449.123063	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M-H+Cl"	33.962126
"538739"	665.194063	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M-H+Cl"	33.962126
"931160"	233.052063	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-H+Cl"	33.962126
"267645"	899.253402	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+Cl"	34.969402
"660389"	1331.395402	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+Cl"	34.969402
"1273323"	467.111402	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Cl"	34.969402
"17577"	901.232606	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M-2H+K"	36.948606
"456895"	1333.374606	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M-2H+K"	36.948606
"839932"	469.090606	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-2H+K"	36.948606
"1566700"	469.090606	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+K-2H"	36.948606
"951307"	477.140194	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-H+HCOOH"	44.998194
"367337"	909.282201	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+HCOOH-H"	44.998201
"357419"	923.297851	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+Hac-H"	59.013851
"1500055"	491.155851	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Hac-H"	59.013851
"967600"	499.122151	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-H+NaCOOH"	66.980151
"114320"	467.111402	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+2Cl"	69.938804
"552786"	683.182402	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+2Cl"	69.938804
"1024135"	251.040402	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2Cl"	69.938804
"1248819"	511.060885	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Br"	78.918885
"1310174"	513.116872	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Cl+HCOOH"	80.974872
"1332043"	535.098829	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Cl+NaCOOH"	102.956829
"926017"	545.127586	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M-H+CF3COOH"	112.985586
"1300902"	581.104264	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Cl+CF3COOH"	148.962264
"1381980"	397.129324	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H-2H2O"	-35.012676
"1395469"	415.1393	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H-H2O"	-17.0027
"296247"	865.291276	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+H"	1.007276
"678830"	1297.433276	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+H"	1.007276
"1354084"	433.149276	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H"	1.007276
"131348"	433.149276	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+2H"	2.014552
"566895"	649.220276	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+2H"	2.014552
"1051742"	217.078276	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2H"	2.014552
"219915"	289.101942666667	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+3H"	3.021828
"659146"	433.149276	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+3H"	3.021828
"1177714"	145.054609333333	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+3H"	3.021828
"438920"	882.317823	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+NH4"	18.033823
"800645"	1314.459823	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+NH4"	18.033823
"1696487"	450.175823	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+NH4"	18.033823
"345004"	441.6625495	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+H+NH4"	19.041099
"737185"	657.7335495	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+H+NH4"	19.041099
"1490639"	225.5915495	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H+NH4"	19.041099
"406767"	887.273218	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+Na"	22.989218
"767758"	1319.415218	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+Na"	22.989218
"1616950"	455.131218	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Na"	22.989218
"327958"	444.140247	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+H+Na"	23.996494
"722081"	660.211247	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+H+Na"	23.996494
"1471040"	228.069247	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H+Na"	23.996494
"1067325"	152.381923333333	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2H+Na"	25.00377
"1272168"	465.175486	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+CH3OH+H"	33.033486
"392081"	903.247158	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+K"	38.963158
"753921"	1335.389158	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+K"	38.963158
"1555001"	471.105158	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+K"	38.963158
"310959"	452.127217	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+H+K"	39.970434
"704111"	668.198217	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+H+K"	39.970434
"1459753"	236.056217	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H+K"	39.970434
"249084"	906.317826	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+ACN+H"	42.033826
"1222526"	474.175826	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+ACN+H"	42.033826
"1200579"	237.591551	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+ACN+2H"	43.041102
"193449"	909.25516	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+2Na-H"	44.97116
"637382"	1341.39716	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+2Na-H"	44.97116
"1143438"	477.11316	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2Na-H"	44.97116
"175795"	455.131218	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+2Na"	45.978436
"620459"	671.202218	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+2Na"	45.978436
"1117767"	239.060218	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2Na"	45.978436
"1399952"	159.709237333333	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H+2Na"	46.985712
"1433041"	479.154746	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H+HCOOH"	47.012746
"220911"	460.16424	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+3H2O+2H"	56.04448
"1508561"	493.20679	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+IsoProp+H"	61.06479
"408779"	463.118188	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+Na+K"	61.952376
"770741"	679.189188	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+Na+K"	61.952376
"1666832"	247.047188	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Na+K"	61.952376
"252259"	928.299768	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+ACN+Na"	64.015768
"1227408"	496.157768	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+ACN+Na"	64.015768
"1713741"	496.181293	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+NH4+HCOOH"	64.039293
"1183474"	167.036551333333	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+3Na"	68.967654
"1654459"	501.136688	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Na+HCOOH"	68.994688
"168620"	941.20304	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+2K-H"	76.91904
"608546"	1373.34504	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+2K-H"	76.91904
"1091966"	509.06104	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2K-H"	76.91904
"151698"	471.105158	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"2M+2K"	77.926316
"591624"	687.176158	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"3M+2K"	77.926316
"1080875"	255.034158	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2K"	77.926316
"1110439"	511.075592	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2K+H"	78.933592
"1345730"	511.163207	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+DMSO+H"	79.021207
"1013167"	515.202376	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2ACN+H"	83.060376
"1535666"	516.196008	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+IsoProp+Na+H"	84.054008
"1003206"	258.104826	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+2ACN+2H"	84.067652
"1601719"	517.110628	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+K+HCOOH"	84.968628
"1427742"	547.142138	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+H+CF3COOH"	115.000138
"1159127"	278.618101	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+3ACN+2H"	125.094202
"1704304"	564.168685	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+NH4+CF3COOH"	132.026685
"1638861"	569.12408	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+Na+CF3COOH"	136.98208
"1573418"	585.09802	"C16223"	"(-)-Medicocarpin;Medicarpin 3-O-glucoside"	"C22H24O9"	"432.142"	"M+K+CF3COOH"	152.95602
"804876"	518.1424	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M"	0
"977318"	499.12401	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-H2O-H"	-19.01839
"68839"	344.420990666667	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M-3H"	-3.021828
"507306"	517.135124	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M-3H"	-3.021828
"881096"	171.706857333333	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-3H"	-3.021828
"6961"	517.135124	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M-2H"	-2.014552
"452728"	776.206324	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M-2H"	-2.014552
"827615"	258.063924	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-2H"	-2.014552
"85422"	1035.277524	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M-H"	-1.007276
"522795"	1553.419924	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M-H"	-1.007276
"898408"	517.135124	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-H"	-1.007276
"47918"	1052.304071	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M-2H+NH4"	16.019271
"493444"	1570.446471	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M-2H+NH4"	16.019271
"870153"	534.161671	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-2H+NH4"	16.019271
"38054"	1057.259466	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M-2H+Na"	20.974666
"480892"	1575.401866	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M-2H+Na"	20.974666
"849335"	539.117066	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-2H+Na"	20.974666
"1622762"	539.117066	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Na-2H"	20.974666
"98196"	535.123463	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M-H+Cl"	33.962126
"538119"	794.194663	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M-H+Cl"	33.962126
"927741"	276.052263	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-H+Cl"	33.962126
"267875"	1071.254202	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+Cl"	34.969402
"660785"	1589.396602	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+Cl"	34.969402
"1274036"	553.111802	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Cl"	34.969402
"17686"	1073.233406	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M-2H+K"	36.948606
"457370"	1591.375806	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M-2H+K"	36.948606
"838949"	555.091006	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-2H+K"	36.948606
"1565717"	555.091006	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+K-2H"	36.948606
"955792"	563.140594	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-H+HCOOH"	44.998194
"374009"	1081.283001	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+HCOOH-H"	44.998201
"356800"	1095.298651	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+Hac-H"	59.013851
"1497979"	577.156251	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Hac-H"	59.013851
"965522"	585.122551	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-H+NaCOOH"	66.980151
"112364"	553.111802	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+2Cl"	69.938804
"551802"	812.183002	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+2Cl"	69.938804
"1024974"	294.040602	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2Cl"	69.938804
"1247835"	597.061285	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Br"	78.918885
"1311374"	599.117272	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Cl+HCOOH"	80.974872
"1331058"	621.099229	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Cl+NaCOOH"	102.956829
"923940"	631.127986	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M-H+CF3COOH"	112.985586
"1301012"	667.104664	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Cl+CF3COOH"	148.962264
"1376986"	483.129724	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H-2H2O"	-35.012676
"1394484"	501.1397	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H-H2O"	-17.0027
"295263"	1037.292076	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+H"	1.007276
"682220"	1555.434476	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+H"	1.007276
"1354194"	519.149676	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H"	1.007276
"131458"	519.149676	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+2H"	2.014552
"566395"	778.220876	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+2H"	2.014552
"1052701"	260.078476	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2H"	2.014552
"219725"	346.435542666667	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+3H"	3.021828
"659458"	519.149676	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+3H"	3.021828
"1178471"	173.721409333333	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+3H"	3.021828
"439761"	1054.318623	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+NH4"	18.033823
"801283"	1572.461023	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+NH4"	18.033823
"1696720"	536.176223	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+NH4"	18.033823
"345524"	527.6629495	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+H+NH4"	19.041099
"738188"	786.7341495	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+H+NH4"	19.041099
"1491478"	268.5917495	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H+NH4"	19.041099
"403593"	1059.274018	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+Na"	22.989218
"767868"	1577.416418	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+Na"	22.989218
"1617788"	541.131618	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Na"	22.989218
"327825"	530.140647	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+H+Na"	23.996494
"720610"	789.211847	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+H+Na"	23.996494
"1472243"	271.069447	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H+Na"	23.996494
"1064397"	181.048723333333	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2H+Na"	25.00377
"1272564"	551.175886	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+CH3OH+H"	33.033486
"391941"	1075.247958	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+K"	38.963158
"752206"	1593.390358	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+K"	38.963158
"1555546"	557.105558	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+K"	38.963158
"310339"	538.127617	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+H+K"	39.970434
"704585"	797.198817	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+H+K"	39.970434
"1460880"	279.056417	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H+K"	39.970434
"249923"	1078.318626	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+ACN+H"	42.033826
"1223364"	560.176226	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+ACN+H"	42.033826
"1200689"	280.591751	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+ACN+2H"	43.041102
"197932"	1081.25596	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+2Na-H"	44.97116
"637492"	1599.39836	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+2Na-H"	44.97116
"1142819"	563.11356	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2Na-H"	44.97116
"176999"	541.131618	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+2Na"	45.978436
"620569"	800.202818	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+2Na"	45.978436
"1117270"	282.060418	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2Na"	45.978436
"1400305"	188.376037333333	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H+2Na"	46.985712
"1435338"	565.155146	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H+HCOOH"	47.012746
"221144"	546.16464	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+3H2O+2H"	56.04448
"1509817"	579.20719	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+IsoProp+H"	61.06479
"409255"	549.118588	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+Na+K"	61.952376
"770734"	808.189788	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+Na+K"	61.952376
"1666333"	290.047388	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Na+K"	61.952376
"251759"	1100.300568	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+ACN+Na"	64.015768
"1228246"	582.158168	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+ACN+Na"	64.015768
"1715307"	582.181693	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+NH4+HCOOH"	64.039293
"1184678"	195.703351333333	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+3Na"	68.967654
"1655662"	587.137088	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Na+HCOOH"	68.994688
"167999"	1113.20384	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+2K-H"	76.91904
"608652"	1631.34624	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+2K-H"	76.91904
"1089883"	595.06144	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2K-H"	76.91904
"154358"	557.105558	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"2M+2K"	77.926316
"592462"	816.176758	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"3M+2K"	77.926316
"1077337"	298.034358	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2K"	77.926316
"1111642"	597.075992	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2K+H"	78.933592
"1344747"	597.163607	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+DMSO+H"	79.021207
"1014370"	601.202776	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2ACN+H"	83.060376
"1535776"	602.196408	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+IsoProp+Na+H"	84.054008
"1003316"	301.105026	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+2ACN+2H"	84.067652
"1598547"	603.111028	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+K+HCOOH"	84.968628
"1426758"	633.142538	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+H+CF3COOH"	115.000138
"1159236"	321.618301	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+3ACN+2H"	125.094202
"1704414"	650.169085	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+NH4+CF3COOH"	132.026685
"1638971"	655.12448	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+Na+CF3COOH"	136.98208
"1573528"	671.09842	"C16224"	"Medicarpin 3-O-glucoside-6-malonate"	"C25H26O12"	"518.1424"	"M+K+CF3COOH"	152.95602
"803893"	272.1049	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M"	0
"983989"	253.08651	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"72230"	180.395990666667	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"513977"	271.097624	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"880518"	89.6943573333333	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"10352"	271.097624	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"453204"	407.150074	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"828817"	135.045174	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"85532"	543.202524	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"525091"	815.307424	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"898518"	271.097624	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"48637"	560.229071	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"488084"	832.333971	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"866617"	288.124171	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"34883"	565.184466	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"479909"	837.289366	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"850423"	293.079566	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1619100"	293.079566	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"98306"	289.085963	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"534945"	425.138413	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"927489"	153.033513	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"267744"	579.179202	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"660410"	851.284102	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1273174"	307.074302	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"16702"	581.158406	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"456264"	853.263306	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"837965"	309.053506	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1563640"	309.053506	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"953714"	317.103094	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"374118"	589.208001	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"358003"	603.223651	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1500275"	331.118751	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"960888"	339.085051	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"113446"	307.074302	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"553005"	443.126752	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1025084"	171.021852	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1251223"	351.023785	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1312577"	353.079772	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1328981"	375.061729	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"922956"	385.090486	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1301851"	421.067164	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1374909"	237.092224	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1394594"	255.1022	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"294280"	545.217076	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"682330"	817.321976	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1354304"	273.112176	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"130475"	273.112176	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"566019"	409.164626	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1052536"	137.059726	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"219673"	182.410542666667	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"659814"	273.112176	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1178425"	91.7089093333333	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"439886"	562.243623	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"801329"	834.348523	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1696931"	290.138723	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"345555"	281.6254495	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"737039"	417.6778995	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1490130"	145.5729995	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"405162"	567.199018	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"766886"	839.303918	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1616077"	295.094118	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"326112"	284.103147	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"717440"	420.155597	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1473446"	148.050697	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1066331"	99.0362233333333	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1272020"	305.138386	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"389134"	583.172958	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"751589"	855.277858	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1554006"	311.068058	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"311181"	292.090117	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"703965"	428.142567	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1458151"	156.037667	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"248578"	586.243626	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1223110"	314.138726	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1202985"	157.573001	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"189089"	589.18096	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"639789"	861.28586	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1142929"	317.07606	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"183304"	295.094118	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"625781"	431.146568	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1118351"	159.041668	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1401633"	106.363537333333	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1434355"	319.117646	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"222226"	300.12714	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1510048"	333.16969	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"409486"	303.081088	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"771455"	439.133538	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1667664"	167.028638	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"252844"	608.225568	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1227259"	336.120668	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1714690"	336.144193	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1185880"	113.690851333333	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1651032"	341.099588	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"170298"	621.12884	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"605482"	893.23374	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1086346"	349.02394	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"154102"	311.068058	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"593665"	447.120508	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1077449"	175.015608	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1111751"	351.038492	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1340484"	351.126107	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1012294"	355.165276	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1536614"	356.158908	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"1002331"	178.086276	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1599750"	357.073528	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1423587"	387.105038	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1159346"	198.599551	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1709992"	404.131585	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1645642"	409.08698	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1576918"	425.06092	"C16225"	"(-)-Vestitol"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"804003"	298.0477	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M"	0
"980818"	279.02931	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-H2O-H"	-19.01839
"69060"	197.691190666667	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M-3H"	-3.021828
"512993"	297.040424	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M-3H"	-3.021828
"882047"	98.3419573333333	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-3H"	-3.021828
"11555"	297.040424	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M-2H"	-2.014552
"447848"	446.064274	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M-2H"	-2.014552
"825648"	148.016574	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-2H"	-2.014552
"84549"	595.088124	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M-H"	-1.007276
"523015"	893.135824	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M-H"	-1.007276
"895952"	297.040424	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-H"	-1.007276
"47532"	612.114671	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M-2H+NH4"	16.019271
"490018"	910.162371	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M-2H+NH4"	16.019271
"867091"	314.066971	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-2H+NH4"	16.019271
"32805"	617.070066	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M-2H+Na"	20.974666
"477832"	915.117766	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M-2H+Na"	20.974666
"858913"	319.022366	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-2H+Na"	20.974666
"1621887"	319.022366	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Na-2H"	20.974666
"96228"	315.028763	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M-H+Cl"	33.962126
"534401"	464.052613	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M-H+Cl"	33.962126
"927222"	166.004913	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-H+Cl"	33.962126
"267321"	631.064802	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+Cl"	34.969402
"660076"	929.112502	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+Cl"	34.969402
"1272959"	333.017102	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Cl"	34.969402
"16566"	633.044006	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M-2H+K"	36.948606
"456248"	931.091706	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M-2H+K"	36.948606
"836979"	334.996306	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-2H+K"	36.948606
"1560470"	334.996306	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+K-2H"	36.948606
"953824"	343.045894	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-H+HCOOH"	44.998194
"374228"	641.093601	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+HCOOH-H"	44.998201
"359206"	655.109251	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+Hac-H"	59.013851
"1500385"	357.061551	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Hac-H"	59.013851
"959905"	365.027851	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-H+NaCOOH"	66.980151
"116835"	333.017102	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+2Cl"	69.938804
"553115"	482.040952	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+2Cl"	69.938804
"1025194"	183.993252	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2Cl"	69.938804
"1250240"	376.966585	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Br"	78.918885
"1312687"	379.022572	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Cl+HCOOH"	80.974872
"1327998"	401.004529	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Cl+NaCOOH"	102.956829
"923430"	411.033286	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M-H+CF3COOH"	112.985586
"1301961"	447.009964	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Cl+CF3COOH"	148.962264
"1375019"	263.035024	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H-2H2O"	-35.012676
"1394704"	281.045	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H-H2O"	-17.0027
"294390"	597.102676	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+H"	1.007276
"682440"	895.150376	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+H"	1.007276
"1355507"	299.054976	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H"	1.007276
"132771"	299.054976	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+2H"	2.014552
"566494"	448.078826	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+2H"	2.014552
"1052200"	150.031126	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2H"	2.014552
"219825"	199.705742666667	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+3H"	3.021828
"659390"	299.054976	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+3H"	3.021828
"1178330"	100.356509333333	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+3H"	3.021828
"439617"	614.129223	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+NH4"	18.033823
"801349"	912.176923	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+NH4"	18.033823
"1696939"	316.081523	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+NH4"	18.033823
"345508"	307.5682495	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+H+NH4"	19.041099
"737878"	456.5920995	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+H+NH4"	19.041099
"1489507"	158.5443995	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H+NH4"	19.041099
"403813"	619.084618	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+Na"	22.989218
"765901"	917.132318	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+Na"	22.989218
"1617279"	321.036918	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Na"	22.989218
"326222"	310.045947	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+H+Na"	23.996494
"716455"	459.069797	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+H+Na"	23.996494
"1472462"	161.022097	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H+Na"	23.996494
"1063522"	107.683823333333	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2H+Na"	25.00377
"1271035"	331.081186	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+CH3OH+H"	33.033486
"389244"	635.058558	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+K"	38.963158
"752063"	933.106258	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+K"	38.963158
"1550105"	337.010858	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+K"	38.963158
"310561"	318.032917	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+H+K"	39.970434
"703711"	467.056767	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+H+K"	39.970434
"1455709"	169.009067	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H+K"	39.970434
"249049"	638.129226	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+ACN+H"	42.033826
"1223948"	340.081526	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+ACN+H"	42.033826
"1200908"	170.544401	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+ACN+2H"	43.041102
"190131"	641.06656	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+2Na-H"	44.97116
"641722"	939.11426	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+2Na-H"	44.97116
"1144132"	343.01886	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2Na-H"	44.97116
"181229"	321.036918	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+2Na"	45.978436
"625162"	470.060768	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+2Na"	45.978436
"1118461"	172.013068	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2Na"	45.978436
"1402714"	115.011137333333	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H+2Na"	46.985712
"1432640"	345.060446	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H+HCOOH"	47.012746
"222334"	326.06994	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+3H2O+2H"	56.04448
"1508943"	359.11249	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+IsoProp+H"	61.06479
"408637"	329.023888	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+Na+K"	61.952376
"770471"	478.047738	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+Na+K"	61.952376
"1666681"	180.000038	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Na+K"	61.952376
"251740"	660.111168	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+ACN+Na"	64.015768
"1225692"	362.063468	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+ACN+Na"	64.015768
"1713707"	362.086993	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+NH4+HCOOH"	64.039293
"1183804"	122.338451333333	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+3Na"	68.967654
"1650534"	367.042388	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Na+HCOOH"	68.994688
"171499"	673.01444	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+2K-H"	76.91904
"604499"	971.06214	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+2K-H"	76.91904
"1086820"	374.96674	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2K-H"	76.91904
"154576"	337.010858	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"2M+2K"	77.926316
"594868"	486.034708	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"3M+2K"	77.926316
"1077559"	187.987008	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2K"	77.926316
"1108581"	376.981292	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2K+H"	78.933592
"1340594"	377.068907	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+DMSO+H"	79.021207
"1010217"	381.108076	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2ACN+H"	83.060376
"1531621"	382.101708	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+IsoProp+Na+H"	84.054008
"1002441"	191.057676	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+2ACN+2H"	84.067652
"1600224"	383.016328	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+K+HCOOH"	84.968628
"1423697"	413.047838	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+H+CF3COOH"	115.000138
"1155081"	211.570951	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+3ACN+2H"	125.094202
"1710102"	430.074385	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+NH4+CF3COOH"	132.026685
"1645752"	435.02978	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+Na+CF3COOH"	136.98208
"1577028"	451.00372	"C16226"	"27-Dihydroxy-45-methylenedioxyisoflavone;DMI"	"C16H10O6"	"298.0477"	"M+K+CF3COOH"	152.95602
"805206"	300.0634	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M"	0
"980928"	281.04501	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"69170"	199.034990666667	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"509823"	299.056124	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"882521"	99.0138573333333	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"12759"	299.056124	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"449051"	449.087824	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"825758"	149.024424	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"84659"	599.119524	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"523125"	899.182924	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"895817"	299.056124	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"47219"	616.146071	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"491586"	916.209471	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"867202"	316.082671	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"31936"	621.101466	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"475756"	921.164866	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"854648"	321.038066	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1623090"	321.038066	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"96702"	317.044463	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"539178"	467.076163	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"927300"	167.012763	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"267139"	635.096202	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"660029"	935.159602	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1272899"	335.032802	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"15944"	637.075406	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"456480"	937.138806	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"835995"	337.012006	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1559484"	337.012006	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"952841"	345.061594	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"371058"	645.125001	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"357128"	659.140651	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1499402"	359.077251	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"959648"	367.043551	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"113665"	335.032802	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"553225"	485.064502	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1025304"	185.001102	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1248163"	378.982285	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1312797"	381.038272	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1328108"	403.020229	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"923540"	413.048986	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1301342"	449.025664	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1376222"	265.050724	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1394814"	283.0607	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"295593"	601.134076	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"682550"	901.197476	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1355617"	301.070676	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"132881"	301.070676	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"566242"	451.102376	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1051088"	151.038976	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"217172"	201.049542666667	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"658801"	301.070676	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1178267"	101.028409333333	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"439836"	618.160623	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"800344"	918.224023	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1696680"	318.097223	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"345197"	309.5839495	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"735796"	459.6156495	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1487431"	159.5522495	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"400643"	623.116018	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"762731"	923.179418	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1613015"	323.052618	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"325236"	312.061647	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"717656"	462.093347	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1468196"	162.029947	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1058163"	108.355723333333	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1269322"	333.096886	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"381699"	639.089958	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"744882"	939.153358	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1549122"	339.026558	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"308484"	320.048617	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"704185"	470.080317	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1454725"	170.016917	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"247700"	642.160626	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1217132"	342.097226	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1198831"	171.552251	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"189514"	645.09796	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"629801"	945.16136	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1139140"	345.03456	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"173317"	323.052618	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"617981"	473.084318	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1115823"	173.020918	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1398928"	115.683037333333	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1430563"	347.076146	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"220380"	328.08564	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1508547"	361.12819	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"408810"	331.039588	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"770372"	481.071288	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1665845"	181.007888	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"251520"	664.142568	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1225890"	364.079168	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1714909"	364.102693	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1181727"	123.010351333333	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1651617"	369.058088	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"170151"	677.04584	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"604609"	977.10924	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1085472"	376.98244	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"148126"	339.026558	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"590969"	489.058258	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1077669"	188.994858	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1108692"	378.996992	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1346170"	379.084607	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1015792"	383.123776	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1532824"	384.117408	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"1002551"	192.065526	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1598147"	385.032028	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1422713"	415.063538	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1155191"	212.578801	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1710212"	432.090085	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1645862"	437.04548	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1577138"	453.01942	"C16227"	"()-Sophorol"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"805316"	300.0634	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M"	0
"981038"	281.04501	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"70373"	199.034990666667	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"511026"	299.056124	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"882267"	99.0138573333333	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"13598"	299.056124	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"449161"	449.087824	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"827690"	149.024424	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"89145"	599.119524	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"526516"	899.182924	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"896536"	299.056124	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"47869"	616.146071	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"493155"	916.209471	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"868769"	316.082671	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"31929"	621.101466	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"476959"	921.164866	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"854758"	321.038066	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1623199"	321.038066	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"98634"	317.044463	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"539287"	467.076163	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"929158"	167.012763	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"269902"	635.096202	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"660250"	935.159602	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1273379"	335.032802	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"16061"	637.075406	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"456229"	937.138806	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"837927"	337.012006	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1557771"	337.012006	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"943830"	345.061594	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"363138"	645.125001	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"347396"	659.140651	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1493674"	359.077251	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"960487"	367.043551	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"112315"	335.032802	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"553330"	485.064502	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1025048"	185.001102	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1248273"	378.982285	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1312907"	381.038272	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1327124"	403.020229	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"923650"	413.048986	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1301452"	449.025664	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1375239"	265.050724	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1391644"	283.0607	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"295703"	601.134076	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"681566"	901.197476	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1356820"	301.070676	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"131898"	301.070676	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"567807"	451.102376	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1050102"	151.038976	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"213628"	201.049542666667	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"658668"	301.070676	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1178217"	101.028409333333	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"439787"	618.160623	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"799966"	918.224023	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1696506"	318.097223	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"344457"	309.5839495	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"735906"	459.6156495	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1487540"	159.5522495	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"401846"	623.116018	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"765026"	923.179418	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1615309"	323.052618	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"327776"	312.061647	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"714485"	462.093347	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1467212"	162.029947	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1061554"	108.355723333333	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1266514"	333.096886	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"386181"	639.089958	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"749366"	939.153358	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1552512"	339.026558	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"305313"	320.048617	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"702107"	470.080317	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1453742"	170.016917	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"243435"	642.160626	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1217243"	342.097226	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1196755"	171.552251	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"188762"	645.09796	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"629911"	945.16136	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1136697"	345.03456	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"173791"	323.052618	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"618090"	473.084318	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1115850"	173.020918	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1398876"	115.683037333333	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1430707"	347.076146	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"220320"	328.08564	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1510255"	361.12819	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"408717"	331.039588	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"770079"	481.071288	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1665580"	181.007888	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"251512"	664.142568	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1225710"	364.079168	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1715382"	364.102693	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1182929"	123.010351333333	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1652820"	369.058088	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"165159"	677.04584	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"606907"	977.10924	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1093604"	376.98244	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"144956"	339.026558	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"590350"	489.058258	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1075591"	188.994858	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1104428"	378.996992	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1341906"	379.084607	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1011528"	383.123776	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1532934"	384.117408	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"1000475"	192.065526	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1598257"	385.032028	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1419543"	415.063538	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1150198"	212.578801	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1708135"	432.090085	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1645972"	437.04548	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1576154"	453.01942	"C16228"	"(-)-Sophorol"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"816361"	284.0685	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M"	0
"989726"	265.05011	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"75951"	188.371724	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"516605"	283.061224	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"888939"	93.682224	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"8608"	283.061224	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"453283"	425.095474	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"828166"	141.026974	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"91444"	567.129724	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"533069"	851.198224	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"908807"	283.061224	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"58803"	584.156271	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"493995"	868.224771	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"870339"	300.087771	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"37510"	589.111666	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"479256"	873.180166	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"861433"	305.043166	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1627684"	305.043166	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"103122"	301.049563	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"542681"	443.083813	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"936197"	159.015313	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"273660"	603.106402	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"666444"	887.174902	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1280671"	319.037902	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"27599"	605.085606	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"459139"	889.154106	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"836944"	321.017106	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1560800"	321.017106	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"946128"	329.066694	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"364708"	613.135201	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"349694"	627.150851	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1493170"	343.082351	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"960598"	351.048651	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"112790"	319.037902	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"554536"	461.072152	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1030992"	177.003652	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1249477"	362.987385	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1316298"	365.043372	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1327234"	387.025329	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"926805"	397.054086	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1301562"	433.030764	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1382742"	249.055824	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1397221"	267.0658	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"298214"	569.144276	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"687143"	853.212776	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1363492"	285.075776	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"135288"	285.075776	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"571567"	427.110026	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1050212"	143.041526	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"212644"	190.386276	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"656955"	285.075776	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1178284"	95.696776	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"439451"	586.170823	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"797890"	870.239323	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1695318"	302.102323	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"344324"	293.5890495	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"736749"	435.6232995	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1485464"	151.5547995	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"404144"	591.126218	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"764044"	875.194718	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1613236"	307.057718	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"325459"	296.066747	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"720068"	438.100997	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1475957"	154.032497	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1067138"	103.02409	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1268817"	317.101986	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"391763"	607.100158	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"750572"	891.168658	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1551531"	323.031658	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"310894"	304.053717	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"704405"	446.087967	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1458229"	162.019467	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"249381"	610.170826	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1218447"	326.102326	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1202333"	163.554801	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"190218"	613.10816	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"630750"	897.17666	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1142644"	329.03966	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"176088"	307.057718	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"617472"	449.091968	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1117333"	165.023468	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1403043"	110.351404	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1431149"	331.081246	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"223764"	312.09074	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1509273"	345.13329	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"409191"	315.044688	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"770551"	457.078938	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1667013"	173.010438	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"253167"	632.152768	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1225684"	348.084268	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1712920"	348.107793	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1185227"	117.678718	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1659494"	353.063188	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"161625"	645.05604	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"600458"	929.12454	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1087156"	360.98754	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"141901"	323.031658	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"582192"	465.065908	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1068731"	180.997408	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1101377"	363.002092	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1336912"	363.089707	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1012733"	367.128876	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1531951"	368.122508	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"998399"	184.068076	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1596183"	369.037128	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1428404"	399.068638	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1160878"	204.581351	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1707147"	416.095185	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1646082"	421.05058	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1576264"	437.02452	"C16229"	"()-Maackiain"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"804443"	300.0634	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M"	0
"984538"	281.04501	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"70593"	199.034990666667	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"515622"	299.056124	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"882852"	99.0138573333333	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"3251"	299.056124	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"447189"	449.087824	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"829369"	149.024424	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"91554"	599.119524	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"532937"	899.182924	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"907823"	299.056124	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"57820"	616.146071	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"491919"	916.209471	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"869721"	316.082671	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"36892"	621.101466	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"479367"	921.164866	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"861543"	321.038066	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1627793"	321.038066	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"103231"	317.044463	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"543884"	467.076163	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"937397"	167.012763	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"278144"	635.096202	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"671661"	935.159602	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1282971"	335.032802	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"21152"	637.075406	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"463991"	937.138806	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"840702"	337.012006	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1564190"	337.012006	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"948793"	345.061594	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"371382"	645.125001	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"349804"	659.140651	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1493401"	359.077251	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"959249"	367.043551	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"110056"	335.032802	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"550175"	485.064502	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1021460"	185.001102	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1241507"	378.982285	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1306202"	381.038272	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1320048"	403.020229	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"912934"	413.048986	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1295111"	449.025664	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1376553"	265.050724	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1395144"	283.0607	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"295923"	601.134076	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"681785"	901.197476	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1360322"	301.070676	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"129930"	301.070676	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"566328"	451.102376	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1048135"	151.038976	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"208380"	201.049542666667	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"659375"	301.070676	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1178436"	101.028409333333	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"439844"	618.160623	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"800311"	918.224023	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1696927"	318.097223	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"344067"	309.5839495	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"738154"	459.6156495	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1485574"	159.5522495	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"405347"	623.116018	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"764155"	923.179418	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1614439"	323.052618	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"325570"	312.061647	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"719086"	462.093347	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1476188"	162.029947	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1066154"	108.355723333333	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1267834"	333.096886	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"391875"	639.089958	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"749587"	939.153358	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1552734"	339.026558	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"311001"	320.048617	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"702329"	470.080317	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1460523"	170.016917	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"248031"	642.160626	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1219651"	342.097226	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1196974"	171.552251	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"189477"	645.09796	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"631590"	945.16136	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1142754"	345.03456	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"174741"	323.052618	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"617946"	473.084318	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1119266"	173.020918	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1399872"	115.683037333333	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1431259"	347.076146	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"222053"	328.08564	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1510842"	361.12819	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"410890"	331.039588	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"770003"	481.071288	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1669675"	181.007888	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"252914"	664.142568	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1225772"	364.079168	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1712963"	364.102693	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1185337"	123.010351333333	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1659604"	369.058088	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"167569"	677.04584	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"607492"	977.10924	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1086536"	376.98244	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"144084"	339.026558	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"582672"	489.058258	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1069616"	188.994858	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1101970"	378.996992	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1337751"	379.084607	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1009562"	383.123776	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1532061"	384.117408	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"999603"	192.065526	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1596292"	385.032028	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1428880"	415.063538	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1159893"	212.578801	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1707257"	432.090085	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1646192"	437.04548	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1576374"	453.01942	"C16230"	"()-6a-Hydroxymaackiain"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"804553"	532.1217	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M"	0
"978087"	513.10331	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-H2O-H"	-19.01839
"64141"	353.740524	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M-3H"	-3.021828
"506982"	531.114424	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M-3H"	-3.021828
"884785"	176.366624	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-3H"	-3.021828
"7734"	531.114424	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H"	-2.014552
"448392"	797.175274	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H"	-2.014552
"827293"	265.053574	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H"	-2.014552
"92757"	1063.236124	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M-H"	-1.007276
"532317"	1595.357824	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M-H"	-1.007276
"909755"	531.114424	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-H"	-1.007276
"57930"	1080.262671	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H+NH4"	16.019271
"490936"	1612.384371	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H+NH4"	16.019271
"868737"	548.140971	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H+NH4"	16.019271
"41012"	1085.218066	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H+Na"	20.974666
"482757"	1617.339766	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H+Na"	20.974666
"862140"	553.096366	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H+Na"	20.974666
"1626810"	553.096366	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na-2H"	20.974666
"105527"	549.102763	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M-H+Cl"	33.962126
"543994"	815.163613	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M-H+Cl"	33.962126
"937507"	283.041913	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+Cl"	33.962126
"278254"	1099.212802	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Cl"	34.969402
"671772"	1631.334502	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+Cl"	34.969402
"1283081"	567.091102	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl"	34.969402
"27822"	1101.192006	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M-2H+K"	36.948606
"464101"	1633.313706	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M-2H+K"	36.948606
"840811"	569.070306	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-2H+K"	36.948606
"1565395"	569.070306	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+K-2H"	36.948606
"948904"	577.119894	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+HCOOH"	44.998194
"371132"	1109.241601	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+HCOOH-H"	44.998201
"348454"	1123.257251	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Hac-H"	59.013851
"1493512"	591.135551	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Hac-H"	59.013851
"959359"	599.101851	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+NaCOOH"	66.980151
"110569"	567.091102	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2Cl"	69.938804
"550012"	833.151952	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2Cl"	69.938804
"1021724"	301.030252	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2Cl"	69.938804
"1242762"	611.040585	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Br"	78.918885
"1304723"	613.096572	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl+HCOOH"	80.974872
"1320524"	635.078529	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl+NaCOOH"	102.956829
"913408"	645.107286	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M-H+CF3COOH"	112.985586
"1296314"	681.083964	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Cl+CF3COOH"	148.962264
"1377756"	497.109024	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H-2H2O"	-35.012676
"1394161"	515.119	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H-H2O"	-17.0027
"292753"	1065.250676	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H"	1.007276
"680802"	1597.372376	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H"	1.007276
"1357152"	533.128976	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H"	1.007276
"127124"	533.128976	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2H"	2.014552
"567410"	799.189826	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2H"	2.014552
"1044963"	267.068126	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2H"	2.014552
"208490"	355.755076	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+3H"	3.021828
"659650"	533.128976	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+3H"	3.021828
"1177368"	178.381176	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+3H"	3.021828
"438939"	1082.277223	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+NH4"	18.033823
"800177"	1614.398923	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+NH4"	18.033823
"1695536"	550.155523	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+NH4"	18.033823
"343813"	541.6422495	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H+NH4"	19.041099
"737331"	807.7030995	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H+NH4"	19.041099
"1486777"	275.5813995	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+NH4"	19.041099
"405823"	1087.232618	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Na"	22.989218
"767181"	1619.354318	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+Na"	22.989218
"1615641"	555.110918	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na"	22.989218
"325679"	544.119947	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H+Na"	23.996494
"719196"	810.180797	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H+Na"	23.996494
"1474474"	278.059097	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+Na"	23.996494
"1066264"	185.70849	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2H+Na"	25.00377
"1267580"	565.155186	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+CH3OH+H"	33.033486
"389796"	1103.206558	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+K"	38.963158
"748604"	1635.328258	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+K"	38.963158
"1550655"	571.084858	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+K"	38.963158
"311840"	552.106917	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+H+K"	39.970434
"699158"	818.167767	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+H+K"	39.970434
"1457352"	286.046067	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+K"	39.970434
"247047"	1106.277226	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+ACN+H"	42.033826
"1220856"	574.155526	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+ACN+H"	42.033826
"1197086"	287.581401	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+ACN+2H"	43.041102
"193600"	1109.21456	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2Na-H"	44.97116
"633159"	1641.33626	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2Na-H"	44.97116
"1140676"	577.09286	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2Na-H"	44.97116
"179592"	555.110918	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2Na"	45.978436
"616233"	821.171768	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2Na"	45.978436
"1119376"	289.050068	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2Na"	45.978436
"1401076"	193.035804	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+2Na"	46.985712
"1431005"	579.134446	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+HCOOH"	47.012746
"227995"	560.14394	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+3H2O+2H"	56.04448
"1511682"	593.18649	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+IsoProp+H"	61.06479
"410637"	563.097888	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+Na+K"	61.952376
"770147"	829.158738	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+Na+K"	61.952376
"1669785"	297.037038	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na+K"	61.952376
"254119"	1128.259168	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+ACN+Na"	64.015768
"1225719"	596.137468	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+ACN+Na"	64.015768
"1712740"	596.160993	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+NH4+HCOOH"	64.039293
"1185447"	200.363118	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+3Na"	68.967654
"1659714"	601.116388	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na+HCOOH"	68.994688
"168767"	1141.16244	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2K-H"	76.91904
"606872"	1673.28414	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2K-H"	76.91904
"1093936"	609.04074	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2K-H"	76.91904
"145287"	571.084858	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"2M+2K"	77.926316
"585941"	837.145708	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"3M+2K"	77.926316
"1070455"	305.024008	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2K"	77.926316
"1104757"	611.055292	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2K+H"	78.933592
"1338955"	611.142907	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+DMSO+H"	79.021207
"1010765"	615.182076	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2ACN+H"	83.060376
"1529984"	616.175708	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+IsoProp+Na+H"	84.054008
"994246"	308.094676	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+2ACN+2H"	84.067652
"1597495"	617.090328	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+K+HCOOH"	84.968628
"1429680"	647.121838	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+H+CF3COOH"	115.000138
"1157816"	328.607951	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+3ACN+2H"	125.094202
"1707367"	664.148385	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+NH4+CF3COOH"	132.026685
"1646302"	669.10378	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+Na+CF3COOH"	136.98208
"1575391"	685.07772	"C16231"	"(-)-Maackiain-3-O-glucosyl-6-O-malonate"	"C25H24O13"	"532.1217"	"M+K+CF3COOH"	152.95602
"804663"	272.0685	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M"	0
"978197"	253.05011	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"67532"	180.371724	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"511466"	271.061224	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"885987"	89.682224	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"5656"	271.061224	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"448502"	407.095474	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"825214"	135.026974	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"93355"	543.129724	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"531213"	815.198224	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"909015"	271.061224	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"58769"	560.156271	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"490680"	832.224771	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"871035"	288.087771	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"40029"	565.111666	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"481774"	837.180166	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"859575"	293.043166	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1626920"	293.043166	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"100170"	289.049563	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"543009"	425.083813	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"933243"	153.015313	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"277271"	579.106402	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"670789"	851.174902	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1282100"	307.037902	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"27934"	581.085606	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"468586"	853.154106	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"846389"	309.017106	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1569152"	309.017106	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"954118"	317.066694	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"369420"	589.135201	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"347837"	603.150851	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1493864"	331.082351	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"958587"	339.048651	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"110247"	307.037902	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"550238"	443.072152	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1022077"	171.003652	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1242388"	350.987385	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1304595"	353.043372	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1320144"	375.025329	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"912425"	385.054086	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1296424"	421.030764	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1376773"	237.055824	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1393178"	255.0658	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"295050"	545.144276	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"680912"	817.212776	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1357262"	273.075776	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"127234"	273.075776	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"567884"	409.110026	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1045073"	137.041526	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"208600"	182.386276	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"658988"	273.075776	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1176628"	91.696776	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"436133"	562.170823	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"799924"	834.239323	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1694188"	290.102323	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"341734"	281.5890495	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"735251"	417.6232995	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1483604"	145.5547995	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"401191"	567.126218	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"759999"	839.194718	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1613563"	295.057718	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"325786"	284.066747	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"716025"	420.100997	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1473491"	148.032497	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1064182"	99.02409	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1270237"	305.101986	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"388813"	583.100158	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"748714"	855.168658	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1548578"	311.031658	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"307940"	292.053717	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"698174"	428.087967	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1454182"	156.019467	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"241688"	586.170826	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1219872"	314.102326	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1199383"	157.554801	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"192254"	589.10816	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"633270"	861.17666	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1138599"	317.03966	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"178608"	295.057718	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"616343"	431.091968	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1118027"	159.023468	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1401551"	106.351404	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1433304"	319.081246	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"223728"	300.09074	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1512156"	333.13329	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"410382"	303.044688	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"770034"	439.078938	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1667343"	167.010438	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"253136"	608.152768	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1225712"	336.084268	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1713022"	336.107793	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1180449"	113.678718	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1654356"	341.063188	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"165598"	621.05604	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"606248"	893.12454	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1091858"	348.98754	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"144300"	311.031658	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"586052"	447.065908	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1070565"	174.997408	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1100247"	351.002092	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1336269"	351.089707	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1009782"	355.128876	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1527906"	356.122508	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"994356"	178.068076	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1596512"	357.037128	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1426546"	387.068638	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1156832"	198.581351	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1705289"	404.095185	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1640944"	409.05058	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1575501"	425.02452	"C16232"	"674-Trihydroxyflavanone"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"804773"	288.0634	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M"	0
"976120"	269.04501	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"67641"	191.034990666667	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"511576"	287.056124	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"887191"	95.0138573333333	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"4673"	287.056124	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"445333"	431.087824	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"825324"	143.024424	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"93468"	575.119524	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"532174"	863.182924	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"910585"	287.056124	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"57057"	592.146071	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"497717"	880.209471	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"877831"	304.082671	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"46464"	597.101466	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"485167"	885.164866	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"861507"	309.038066	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1631405"	309.038066	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"104653"	305.044463	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"543119"	449.076163	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"933353"	161.012763	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"280540"	611.096202	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"674306"	899.159602	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1287557"	323.032802	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"30354"	613.075406	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"470765"	901.138806	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"846863"	325.012006	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1567804"	325.012006	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"951312"	333.061594	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"368435"	621.125001	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"354509"	635.140651	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1492872"	347.077251	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"962135"	355.043551	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"110434"	323.032802	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"550961"	467.064502	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1021952"	179.001102	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1246635"	366.982285	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1307991"	369.038272	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1323663"	391.020229	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"915452"	401.048986	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1296534"	437.025664	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1379069"	253.050724	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1395474"	271.0607	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"296253"	577.134076	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"679930"	865.197476	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1360652"	289.070676	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"133541"	289.070676	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"568725"	433.102376	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1051381"	145.038976	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"209074"	193.049542666667	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"656665"	289.070676	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1178036"	97.0284093333333	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"438677"	594.160623	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"796141"	882.224023	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1696243"	306.097223	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"344398"	297.5839495	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"735728"	441.6156495	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1488090"	153.5522495	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"403124"	599.116018	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"765576"	887.179418	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1616953"	311.052618	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"324803"	300.061647	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"719412"	444.093347	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1474694"	156.029947	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1065391"	104.355723333333	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1269983"	321.096886	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"385644"	615.089958	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"747727"	903.153358	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1550874"	327.026558	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"313273"	308.048617	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"699377"	452.080317	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1455384"	164.016917	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"242891"	618.160626	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1221076"	330.097226	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1196574"	165.552251	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"190902"	621.09796	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"631555"	909.16136	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1137249"	333.03456	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"180904"	311.052618	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"615723"	455.084318	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1118137"	167.020918	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1400932"	111.683037333333	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1430163"	335.076146	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"223110"	316.08564	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1510078"	349.12819	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"409398"	319.039588	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"770338"	463.071288	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1665734"	175.007888	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"251784"	640.142568	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1226429"	352.079168	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1713251"	352.102693	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1178849"	119.010351333333	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1653371"	357.058088	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"164612"	653.04584	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"604536"	941.10924	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1085402"	364.98244	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"148784"	327.026558	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"588345"	471.058258	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1075047"	182.994858	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1106069"	366.996992	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1338080"	367.084607	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1013172"	371.123776	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1528016"	372.117408	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"997746"	186.065526	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1596622"	373.032028	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1426656"	403.063538	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1156942"	206.578801	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1705399"	420.090085	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1641054"	425.04548	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1575611"	441.01942	"C16233"	"2674-Tetrahydroxyisoflavanone"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"808163"	167.0219	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M"	0
"980604"	148.00351	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H2O-H"	-19.01839
"73218"	110.340657333333	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-3H"	-3.021828
"511686"	166.014624	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-3H"	-3.021828
"887301"	54.6666906666667	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-3H"	-3.021828
"9156"	166.014624	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H"	-2.014552
"444350"	249.525574	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H"	-2.014552
"819964"	82.503674	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H"	-2.014552
"92845"	333.036524	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-H"	-1.007276
"533134"	500.058424	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-H"	-1.007276
"908261"	166.014624	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H"	-1.007276
"57167"	350.063071	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H+NH4"	16.019271
"491629"	517.084971	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H+NH4"	16.019271
"878909"	183.041171	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H+NH4"	16.019271
"36238"	355.018466	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H+Na"	20.974666
"485276"	522.040366	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H+Na"	20.974666
"861981"	187.996566	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H+Na"	20.974666
"1630422"	187.996566	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na-2H"	20.974666
"101483"	184.002963	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-H+Cl"	33.962126
"541043"	267.513913	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-H+Cl"	33.962126
"932370"	100.492013	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+Cl"	33.962126
"267680"	369.013202	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Cl"	34.969402
"668816"	536.035102	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+Cl"	34.969402
"1287876"	201.991302	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl"	34.969402
"30827"	370.992406	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H+K"	36.948606
"466619"	538.014306	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H+K"	36.948606
"845517"	203.970506	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H+K"	36.948606
"1565726"	203.970506	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K-2H"	36.948606
"951421"	212.020094	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+HCOOH"	44.998194
"365263"	379.042001	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+HCOOH-H"	44.998201
"353524"	393.057651	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Hac-H"	59.013851
"1494703"	226.035751	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Hac-H"	59.013851
"962245"	234.002051	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+NaCOOH"	66.980151
"113339"	201.991302	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2Cl"	69.938804
"550139"	285.502252	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2Cl"	69.938804
"1024979"	118.480352	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2Cl"	69.938804
"1248932"	245.940785	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Br"	78.918885
"1310288"	247.996772	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl+HCOOH"	80.974872
"1326689"	269.978729	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl+NaCOOH"	102.956829
"915562"	280.007486	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+CF3COOH"	112.985586
"1293364"	315.984164	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl+CF3COOH"	148.962264
"1374806"	132.009224	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H-2H2O"	-35.012676
"1394491"	150.0192	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H-H2O"	-17.0027
"296363"	335.051076	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H"	1.007276
"680040"	502.072976	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H"	1.007276
"1365867"	168.029176	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H"	1.007276
"135840"	168.029176	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2H"	2.014552
"574306"	251.540126	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2H"	2.014552
"1044199"	84.518226	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2H"	2.014552
"208086"	112.355209333333	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+3H"	3.021828
"658232"	168.029176	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+3H"	3.021828
"1178231"	56.6812426666667	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+3H"	3.021828
"438663"	352.077623	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+NH4"	18.033823
"801199"	519.099523	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+NH4"	18.033823
"1695498"	185.055723	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+NH4"	18.033823
"344874"	176.5424495	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H+NH4"	19.041099
"736567"	260.0533995	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H+NH4"	19.041099
"1487106"	93.0314995	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+NH4"	19.041099
"403598"	357.033018	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Na"	22.989218
"765686"	524.054918	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+Na"	22.989218
"1614878"	190.011118	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na"	22.989218
"323821"	179.020147	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H+Na"	23.996494
"721469"	262.531097	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H+Na"	23.996494
"1473711"	95.509197	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+Na"	23.996494
"1066227"	64.0085566666667	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2H+Na"	25.00377
"1269729"	200.055386	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+CH3OH+H"	33.033486
"389763"	373.006958	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+K"	38.963158
"747837"	540.028858	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+K"	38.963158
"1549890"	205.985058	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K"	38.963158
"310345"	187.007117	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H+K"	39.970434
"700580"	270.518067	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H+K"	39.970434
"1454402"	103.496167	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+K"	39.970434
"244094"	376.077626	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+ACN+H"	42.033826
"1222279"	209.055726	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+ACN+H"	42.033826
"1195591"	105.031501	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+ACN+2H"	43.041102
"195754"	379.01496	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2Na-H"	44.97116
"639687"	546.03686	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2Na-H"	44.97116
"1136631"	211.99306	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2Na-H"	44.97116
"177004"	190.011118	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2Na"	45.978436
"615470"	273.522068	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2Na"	45.978436
"1117517"	106.500168	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2Na"	45.978436
"1401042"	71.3358706666667	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+2Na"	46.985712
"1431212"	214.034646	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+HCOOH"	47.012746
"225043"	195.04414	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+3H2O+2H"	56.04448
"1510919"	228.08669	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+IsoProp+H"	61.06479
"409506"	197.998088	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Na+K"	61.952376
"770858"	281.509038	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+Na+K"	61.952376
"1666462"	114.487138	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na+K"	61.952376
"251893"	398.059568	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+ACN+Na"	64.015768
"1228240"	231.037668	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+ACN+Na"	64.015768
"1714577"	231.061193	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+NH4+HCOOH"	64.039293
"1181022"	78.6631846666667	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+3Na"	68.967654
"1654576"	236.016588	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na+HCOOH"	68.994688
"164722"	410.96284	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2K-H"	76.91904
"603552"	577.98474	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2K-H"	76.91904
"1086970"	243.94094	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2K-H"	76.91904
"146708"	205.985058	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2K"	77.926316
"586268"	289.496008	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2K"	77.926316
"1076248"	122.474108	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2K"	77.926316
"1106178"	245.955492	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2K+H"	78.933592
"1340378"	246.043107	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+DMSO+H"	79.021207
"1014376"	250.082276	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2ACN+H"	83.060376
"1529220"	251.075908	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+IsoProp+Na+H"	84.054008
"996763"	125.544776	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2ACN+2H"	84.067652
"1592359"	251.990528	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K+HCOOH"	84.968628
"1421300"	282.022038	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+CF3COOH"	115.000138
"1159241"	146.058051	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+3ACN+2H"	125.094202
"1708790"	299.048585	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+NH4+CF3COOH"	132.026685
"1641164"	304.00398	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na+CF3COOH"	136.98208
"1575721"	319.97792	"C16234"	"o-Nitrobenzoate;2-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K+CF3COOH"	152.95602
"804993"	153.0426	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M"	0
"978526"	134.02421	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"72234"	101.021124	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"511796"	152.035324	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"884131"	50.006924	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"12546"	152.035324	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"444460"	228.556624	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"820074"	75.514024	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"88815"	305.077924	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"531662"	458.120524	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"906182"	152.035324	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"58370"	322.104471	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"499024"	475.147071	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"879145"	169.061871	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"46194"	327.059866	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"487037"	480.102466	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"862091"	174.017266	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1629438"	174.017266	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"102686"	170.023663	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"540059"	246.544963	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"932480"	93.502363	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"267750"	341.054602	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"668926"	494.097202	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1288377"	188.012002	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"30817"	343.033806	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"468915"	496.076406	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"841252"	189.991206	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1568020"	189.991206	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"949343"	198.040794	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"365373"	351.083401	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"353633"	365.099051	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1499188"	212.056451	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"965636"	220.022751	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"117823"	188.012002	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"554102"	264.533302	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1023996"	111.490702	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1246856"	231.961485	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1318782"	234.017472	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1323519"	255.999429	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"915672"	266.028186	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1293474"	302.004864	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1374916"	118.029924	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1392414"	136.0399	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"293193"	307.092476	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"683431"	460.135076	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1365613"	154.049876	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"140690"	154.049876	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"575510"	230.571176	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1044309"	77.528576	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"210018"	103.035676	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"658590"	154.049876	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1178379"	52.021476	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"439668"	324.119023	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"801065"	477.161623	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1694149"	171.076423	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"342066"	162.5631495	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"732301"	239.0844495	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1488674"	86.0418495	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"405894"	329.074418	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"765431"	482.117018	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1615716"	176.031818	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"323930"	165.040847	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"718538"	241.562147	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1475274"	88.519547	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1067673"	59.34879	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1270569"	186.076086	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"389872"	345.048358	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"747947"	498.090958	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1551459"	192.005758	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"308268"	173.027817	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"699596"	249.549117	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1453417"	96.506517	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"243111"	348.119026	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1221292"	195.076426	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1199713"	98.041851	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"194771"	351.05636	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"638704"	504.09896	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1138928"	198.01376	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"178938"	176.031818	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"614973"	252.553118	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1116169"	99.510518	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1400790"	66.676104	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1430592"	200.055346	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"221872"	181.06484	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1509448"	214.10739	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"409246"	184.018788	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"770850"	260.540088	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1665970"	107.497488	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"252004"	370.100968	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1226651"	217.058368	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1713433"	217.081893	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1180769"	74.003418	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1654686"	222.037288	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"164832"	383.00424	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"603298"	536.04684	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1085253"	229.96164	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"145722"	192.005758	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"586377"	268.527058	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1074169"	115.484458	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1106287"	231.976192	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1340488"	232.063807	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1014486"	236.102976	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1529330"	237.096608	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"996873"	118.555126	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1593561"	238.011228	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1421410"	268.042738	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1158259"	139.068401	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1708900"	285.069285	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1641274"	290.02468	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1575831"	305.99862	"C16235"	"o-Hydroxylaminobenzoate;2-Hydroxylaminobenzoic acid"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"806198"	535.096	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M"	0
"984104"	516.07761	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-H2O-H"	-19.01839
"73439"	355.723390666667	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M-3H"	-3.021828
"511907"	534.088724	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M-3H"	-3.021828
"890809"	177.358057333333	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-3H"	-3.021828
"12670"	534.088724	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M-2H"	-2.014552
"451133"	801.636724	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M-2H"	-2.014552
"828939"	266.540724	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-2H"	-2.014552
"91121"	1069.184724	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M-H"	-1.007276
"532139"	1604.280724	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M-H"	-1.007276
"909575"	534.088724	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-H"	-1.007276
"59579"	1086.211271	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M-2H+NH4"	16.019271
"490756"	1621.307271	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M-2H+NH4"	16.019271
"866735"	551.115271	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-2H+NH4"	16.019271
"39376"	1091.166666	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M-2H+Na"	20.974666
"483308"	1626.262666	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M-2H+Na"	20.974666
"862204"	556.070666	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-2H+Na"	20.974666
"1627363"	556.070666	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Na-2H"	20.974666
"102797"	552.077063	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M-H+Cl"	33.962126
"540169"	819.625063	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M-H+Cl"	33.962126
"930403"	284.529063	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-H+Cl"	33.962126
"275522"	1105.161402	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+Cl"	34.969402
"672323"	1640.257402	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+Cl"	34.969402
"1282538"	570.065402	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Cl"	34.969402
"19627"	1107.140606	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M-2H+K"	36.948606
"465751"	1642.236606	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M-2H+K"	36.948606
"838084"	572.044606	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-2H+K"	36.948606
"1563760"	572.044606	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+K-2H"	36.948606
"952741"	580.094194	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-H+HCOOH"	44.998194
"366582"	1115.190201	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+HCOOH-H"	44.998201
"348642"	1129.205851	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+Hac-H"	59.013851
"1498203"	594.109851	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Hac-H"	59.013851
"959179"	602.076151	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-H+NaCOOH"	66.980151
"110763"	570.065402	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+2Cl"	69.938804
"551174"	837.613402	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+2Cl"	69.938804
"1023013"	302.517402	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2Cl"	69.938804
"1249153"	614.014885	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Br"	78.918885
"1311602"	616.070872	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Cl+HCOOH"	80.974872
"1333108"	638.052829	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Cl+NaCOOH"	102.956829
"923441"	648.081586	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M-H+CF3COOH"	112.985586
"1303066"	684.058264	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Cl+CF3COOH"	148.962264
"1379403"	500.083324	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H-2H2O"	-35.012676
"1389248"	518.0933	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H-H2O"	-17.0027
"286381"	1071.199276	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+H"	1.007276
"683544"	1606.295276	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+H"	1.007276
"1363171"	536.103276	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H"	1.007276
"136063"	536.103276	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+2H"	2.014552
"572341"	803.651276	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+2H"	2.014552
"1050987"	268.555276	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2H"	2.014552
"215611"	357.737942666667	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+3H"	3.021828
"655170"	536.103276	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+3H"	3.021828
"1175484"	179.372609333333	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+3H"	3.021828
"435476"	1088.225823	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+NH4"	18.033823
"792096"	1623.321823	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+NH4"	18.033823
"1690612"	553.129823	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+NH4"	18.033823
"336705"	544.6165495	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+H+NH4"	19.041099
"726940"	812.1645495	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+H+NH4"	19.041099
"1487324"	277.0685495	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H+NH4"	19.041099
"403816"	1093.181218	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+Na"	22.989218
"764813"	1628.277218	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+Na"	22.989218
"1614003"	558.085218	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Na"	22.989218
"321853"	547.094247	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+H+Na"	23.996494
"720837"	814.642247	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+H+Na"	23.996494
"1469193"	279.546247	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H+Na"	23.996494
"1058063"	186.699923333333	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2H+Na"	25.00377
"1261932"	568.129486	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+CH3OH+H"	33.033486
"387065"	1109.155158	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+K"	38.963158
"749881"	1644.251158	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+K"	38.963158
"1549020"	574.059158	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+K"	38.963158
"306193"	555.081217	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+H+K"	39.970434
"700804"	822.629217	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+H+K"	39.970434
"1447336"	287.533217	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H+K"	39.970434
"240313"	1112.225826	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+ACN+H"	42.033826
"1220313"	577.129826	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+ACN+H"	42.033826
"1196175"	289.068551	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+ACN+2H"	43.041102
"195973"	1115.16316	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+2Na-H"	44.97116
"636627"	1650.25916	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+2Na-H"	44.97116
"1134300"	580.06716	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2Na-H"	44.97116
"176865"	558.085218	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+2Na"	45.978436
"621895"	825.633218	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+2Na"	45.978436
"1117378"	290.537218	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2Na"	45.978436
"1399805"	194.027237333333	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H+2Na"	46.985712
"1431923"	582.108746	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H+HCOOH"	47.012746
"220886"	563.11824	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+3H2O+2H"	56.04448
"1509313"	596.16079	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+IsoProp+H"	61.06479
"410099"	566.072188	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+Na+K"	61.952376
"770723"	833.620188	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+Na+K"	61.952376
"1668152"	298.524188	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Na+K"	61.952376
"254672"	1134.207768	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+ACN+Na"	64.015768
"1231755"	599.111768	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+ACN+Na"	64.015768
"1719550"	599.135293	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+NH4+HCOOH"	64.039293
"1187097"	201.354551333333	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+3Na"	68.967654
"1655530"	604.090688	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Na+HCOOH"	68.994688
"168225"	1147.11104	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+2K-H"	76.91904
"598187"	1682.20704	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+2K-H"	76.91904
"1086102"	612.01504	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2K-H"	76.91904
"145835"	574.059158	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"2M+2K"	77.926316
"582602"	841.607158	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"3M+2K"	77.926316
"1073192"	306.511158	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2K"	77.926316
"1100107"	614.029592	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2K+H"	78.933592
"1335974"	614.117207	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+DMSO+H"	79.021207
"1011315"	618.156376	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2ACN+H"	83.060376
"1525793"	619.150008	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+IsoProp+Na+H"	84.054008
"991636"	309.581826	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+2ACN+2H"	84.067652
"1590391"	620.064628	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+K+HCOOH"	84.968628
"1418237"	650.096138	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+H+CF3COOH"	115.000138
"1149620"	330.095101	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+3ACN+2H"	125.094202
"1703546"	667.122685	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+NH4+CF3COOH"	132.026685
"1635187"	672.07808	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+Na+CF3COOH"	136.98208
"1575941"	688.05202	"C16238"	"Lipoyl-AMP"	"C18H26N5O8PS2"	"535.096"	"M+K+CF3COOH"	152.95602
"805217"	206.0435	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M"	0
"987869"	187.02511	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-H2O-H"	-19.01839
"72470"	136.355057333333	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M-3H"	-3.021828
"512031"	205.036224	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M-3H"	-3.021828
"894085"	67.6738906666667	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-3H"	-3.021828
"10593"	205.036224	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M-2H"	-2.014552
"453433"	308.057974	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M-2H"	-2.014552
"829050"	102.014474	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-2H"	-2.014552
"92325"	411.079724	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M-H"	-1.007276
"531523"	617.123224	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M-H"	-1.007276
"906409"	205.036224	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-H"	-1.007276
"56409"	428.106271	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M-2H+NH4"	16.019271
"490502"	634.149771	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M-2H+NH4"	16.019271
"866117"	222.062771	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-2H+NH4"	16.019271
"41672"	433.061666	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M-2H+Na"	20.974666
"477222"	639.105166	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M-2H+Na"	20.974666
"860857"	227.018166	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-2H+Na"	20.974666
"1622369"	227.018166	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Na-2H"	20.974666
"98534"	223.024563	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M-H+Cl"	33.962126
"544659"	326.046313	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M-H+Cl"	33.962126
"939270"	120.002813	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-H+Cl"	33.962126
"277824"	447.056402	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+Cl"	34.969402
"664781"	653.099902	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+Cl"	34.969402
"1278277"	241.012902	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Cl"	34.969402
"26302"	449.035606	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M-2H+K"	36.948606
"470239"	655.079106	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M-2H+K"	36.948606
"842574"	242.992106	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-2H+K"	36.948606
"1558408"	242.992106	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+K-2H"	36.948606
"942809"	251.041694	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-H+HCOOH"	44.998194
"362316"	457.085201	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+HCOOH-H"	44.998201
"345819"	471.100851	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+Hac-H"	59.013851
"1492804"	265.057351	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Hac-H"	59.013851
"958600"	273.023651	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-H+NaCOOH"	66.980151
"110076"	241.012902	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+2Cl"	69.938804
"553231"	344.034652	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+2Cl"	69.938804
"1029686"	137.991152	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2Cl"	69.938804
"1245985"	284.962385	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Br"	78.918885
"1317914"	287.018372	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Cl+HCOOH"	80.974872
"1333586"	309.000329	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Cl+NaCOOH"	102.956829
"923553"	319.029086	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M-H+CF3COOH"	112.985586
"1296982"	355.005764	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Cl+CF3COOH"	148.962264
"1378424"	171.030824	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H-2H2O"	-35.012676
"1390454"	189.0408	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H-H2O"	-17.0027
"291233"	413.094276	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+H"	1.007276
"683655"	619.137776	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+H"	1.007276
"1361097"	207.050776	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H"	1.007276
"132895"	207.050776	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+2H"	2.014552
"574646"	310.072526	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+2H"	2.014552
"1044539"	104.029026	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2H"	2.014552
"212439"	138.369609333333	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+3H"	3.021828
"656373"	207.050776	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+3H"	3.021828
"1170124"	69.6884426666667	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+3H"	3.021828
"430116"	430.120823	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+NH4"	18.033823
"792204"	636.164323	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+NH4"	18.033823
"1687440"	224.077323	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+NH4"	18.033823
"332804"	215.5640495	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+H+NH4"	19.041099
"725955"	318.5857995	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+H+NH4"	19.041099
"1477259"	112.5422995	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H+NH4"	19.041099
"399553"	435.076218	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+Na"	22.989218
"757267"	641.119718	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+Na"	22.989218
"1613752"	229.032718	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Na"	22.989218
"324155"	218.041747	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+H+Na"	23.996494
"716575"	321.063497	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+H+Na"	23.996494
"1470396"	115.019997	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H+Na"	23.996494
"1059268"	77.0157566666667	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2H+Na"	25.00377
"1266411"	239.076986	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+CH3OH+H"	33.033486
"386080"	451.050158	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+K"	38.963158
"743798"	657.093658	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+K"	38.963158
"1550225"	245.006658	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+K"	38.963158
"302299"	226.028717	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+H+K"	39.970434
"695083"	329.050467	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+H+K"	39.970434
"1447811"	123.006967	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H+K"	39.970434
"238236"	454.120826	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+ACN+H"	42.033826
"1210581"	248.077326	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+ACN+H"	42.033826
"1194704"	124.542301	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+ACN+2H"	43.041102
"188821"	457.05816	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+2Na-H"	44.97116
"628533"	663.10166	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+2Na-H"	44.97116
"1133681"	251.01466	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2Na-H"	44.97116
"174417"	229.032718	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+2Na"	45.978436
"613611"	332.054468	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+2Na"	45.978436
"1116384"	126.010968	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2Na"	45.978436
"1399548"	84.3430706666667	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H+2Na"	46.985712
"1430570"	253.056246	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H+HCOOH"	47.012746
"220997"	234.06574	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+3H2O+2H"	56.04448
"1509060"	267.10829	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+IsoProp+H"	61.06479
"409116"	237.019688	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+Na+K"	61.952376
"771205"	340.041438	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+Na+K"	61.952376
"1669723"	133.997938	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Na+K"	61.952376
"256973"	476.102768	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+ACN+Na"	64.015768
"1227492"	270.059268	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+ACN+Na"	64.015768
"1713217"	270.082793	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+NH4+HCOOH"	64.039293
"1186113"	91.6703846666667	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+3Na"	68.967654
"1654914"	275.038188	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Na+HCOOH"	68.994688
"159711"	489.00604	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+2K-H"	76.91904
"598054"	695.04954	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+2K-H"	76.91904
"1086943"	282.96254	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2K-H"	76.91904
"142909"	245.006658	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"2M+2K"	77.926316
"581858"	348.028408	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"3M+2K"	77.926316
"1069166"	141.984908	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2K"	77.926316
"1105418"	284.977092	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2K+H"	78.933592
"1339616"	285.064707	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+DMSO+H"	79.021207
"1007293"	289.103876	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2ACN+H"	83.060376
"1524926"	290.097508	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+IsoProp+Na+H"	84.054008
"991136"	145.055576	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+2ACN+2H"	84.067652
"1587093"	291.012128	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+K+HCOOH"	84.968628
"1414943"	321.043638	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+H+CF3COOH"	115.000138
"1149002"	165.568851	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+3ACN+2H"	125.094202
"1702563"	338.070185	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+NH4+CF3COOH"	132.026685
"1639310"	343.02558	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+Na+CF3COOH"	136.98208
"1584803"	358.99952	"C16241"	"(R)-Lipoate;(R)-Lipoic acid;(R)-()-Lipoate;R-()-Lipoic acid;12-Dithiolane-3R-pentanoic acid"	"C8H14O2S2"	"206.0435"	"M+K+CF3COOH"	152.95602
"805327"	963.271	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M"	0
"988706"	944.25261	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-H2O-H"	-19.01839
"75860"	641.173390666667	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M-3H"	-3.021828
"512141"	962.263724	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M-3H"	-3.021828
"893224"	320.083057333333	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-3H"	-3.021828
"11798"	962.263724	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M-2H"	-2.014552
"453543"	1443.899224	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M-2H"	-2.014552
"825879"	480.628224	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-2H"	-2.014552
"93165"	1925.534724	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M-H"	-1.007276
"531389"	2888.805724	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M-H"	-1.007276
"906519"	962.263724	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-H"	-1.007276
"55427"	1942.561271	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M-2H+NH4"	16.019271
"489518"	2905.832271	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M-2H+NH4"	16.019271
"865251"	979.290271	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-2H+NH4"	16.019271
"35586"	1947.516666	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M-2H+Na"	20.974666
"481342"	2910.787666	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M-2H+Na"	20.974666
"861697"	984.245666	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-2H+Na"	20.974666
"1629770"	984.245666	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Na-2H"	20.974666
"103019"	980.252063	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M-H+Cl"	33.962126
"548048"	1461.887563	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M-H+Cl"	33.962126
"939380"	498.616563	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-H+Cl"	33.962126
"281214"	1961.511402	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+Cl"	34.969402
"668172"	2924.782402	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+Cl"	34.969402
"1279481"	998.240402	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Cl"	34.969402
"28600"	1963.490606	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M-2H+K"	36.948606
"469258"	2926.761606	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M-2H+K"	36.948606
"844871"	1000.219606	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-2H+K"	36.948606
"1561798"	1000.219606	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+K-2H"	36.948606
"943074"	1008.269194	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-H+HCOOH"	44.998194
"361818"	1971.540201	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+HCOOH-H"	44.998201
"346268"	1985.555851	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+Hac-H"	59.013851
"1494050"	1022.284851	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Hac-H"	59.013851
"960495"	1030.251151	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-H+NaCOOH"	66.980151
"112686"	998.240402	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+2Cl"	69.938804
"553341"	1479.875902	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+2Cl"	69.938804
"1026517"	516.604902	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2Cl"	69.938804
"1245002"	1042.189885	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Br"	78.918885
"1318389"	1044.245872	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Cl+HCOOH"	80.974872
"1330416"	1066.227829	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Cl+NaCOOH"	102.956829
"922570"	1076.256586	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M-H+CF3COOH"	112.985586
"1295999"	1112.233264	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Cl+CF3COOH"	148.962264
"1378534"	928.258324	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H-2H2O"	-35.012676
"1392751"	946.2683	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H-H2O"	-17.0027
"291343"	1927.549276	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+H"	1.007276
"683765"	2890.820276	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+H"	1.007276
"1360114"	964.278276	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H"	1.007276
"138473"	964.278276	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+2H"	2.014552
"574756"	1445.913776	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+2H"	2.014552
"1044649"	482.642776	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2H"	2.014552
"209269"	643.187942666667	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+3H"	3.021828
"653203"	964.278276	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+3H"	3.021828
"1166953"	322.097609333333	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+3H"	3.021828
"430225"	1944.575823	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+NH4"	18.033823
"790129"	2907.846823	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+NH4"	18.033823
"1683542"	981.304823	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+NH4"	18.033823
"335831"	972.7915495	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+H+NH4"	19.041099
"724973"	1454.4270495	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+H+NH4"	19.041099
"1477143"	491.1560495	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H+NH4"	19.041099
"405133"	1949.531218	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+Na"	22.989218
"759566"	2912.802218	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+Na"	22.989218
"1614227"	986.260218	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Na"	22.989218
"326091"	975.269247	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+H+Na"	23.996494
"716687"	1456.904747	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+H+Na"	23.996494
"1469415"	493.633747	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H+Na"	23.996494
"1058287"	329.424923333333	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2H+Na"	25.00377
"1263243"	996.304486	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+CH3OH+H"	33.033486
"384006"	1965.505158	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+K"	38.963158
"742815"	2928.776158	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+K"	38.963158
"1549242"	1002.234158	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+K"	38.963158
"304232"	983.256217	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+H+K"	39.970434
"695557"	1464.891717	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+H+K"	39.970434
"1449380"	501.620717	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H+K"	39.970434
"242356"	1968.575826	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+ACN+H"	42.033826
"1210566"	1005.304826	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+ACN+H"	42.033826
"1196761"	503.156051	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+ACN+2H"	43.041102
"189753"	1971.51316	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+2Na-H"	44.97116
"630162"	2934.78416	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+2Na-H"	44.97116
"1131840"	1008.24216	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2Na-H"	44.97116
"174525"	986.260218	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+2Na"	45.978436
"614451"	1467.895718	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+2Na"	45.978436
"1119048"	504.624718	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2Na"	45.978436
"1399776"	336.752237333333	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H+2Na"	46.985712
"1431047"	1010.283746	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H+HCOOH"	47.012746
"220864"	991.29324	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+3H2O+2H"	56.04448
"1509536"	1024.33579	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+IsoProp+H"	61.06479
"410683"	994.247188	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+Na+K"	61.952376
"770139"	1475.882688	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+Na+K"	61.952376
"1669834"	512.611688	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Na+K"	61.952376
"255261"	1990.557768	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+ACN+Na"	64.015768
"1226629"	1027.286768	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+ACN+Na"	64.015768
"1712959"	1027.310293	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+NH4+HCOOH"	64.039293
"1178490"	344.079551333333	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+3Na"	68.967654
"1649881"	1032.265688	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Na+HCOOH"	68.994688
"157386"	2003.46104	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+2K-H"	76.91904
"597556"	2966.73204	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+2K-H"	76.91904
"1084307"	1040.19004	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2K-H"	76.91904
"141924"	1002.234158	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"2M+2K"	77.926316
"581639"	1483.869658	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"3M+2K"	77.926316
"1069140"	520.598658	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2K"	77.926316
"1101394"	1042.204592	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2K+H"	78.933592
"1336072"	1042.292207	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+DMSO+H"	79.021207
"1006060"	1046.331376	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2ACN+H"	83.060376
"1524670"	1047.325008	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+IsoProp+Na+H"	84.054008
"990071"	523.669326	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+2ACN+2H"	84.067652
"1587565"	1048.239628	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+K+HCOOH"	84.968628
"1414927"	1078.271138	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+H+CF3COOH"	115.000138
"1147532"	544.182601	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+3ACN+2H"	125.094202
"1700485"	1095.297685	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+NH4+CF3COOH"	132.026685
"1639420"	1100.25308	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+Na+CF3COOH"	136.98208
"1584913"	1116.22702	"C16242"	"Cobalt-precorrin 5A"	"C45H52CoN4O16"	"963.271"	"M+K+CF3COOH"	152.95602
"811997"	937.2554	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M"	0
"988815"	918.23701	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-H2O-H"	-19.01839
"74877"	623.829657333333	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M-3H"	-3.021828
"514436"	936.248124	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M-3H"	-3.021828
"892240"	311.411190666667	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-3H"	-3.021828
"11907"	936.248124	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M-2H"	-2.014552
"453653"	1404.875824	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M-2H"	-2.014552
"827083"	467.620424	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-2H"	-2.014552
"91331"	1873.503524	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M-H"	-1.007276
"530648"	2810.758924	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M-H"	-1.007276
"900433"	936.248124	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-H"	-1.007276
"56630"	1890.530071	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M-2H+NH4"	16.019271
"488899"	2827.785471	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M-2H+NH4"	16.019271
"865362"	953.274671	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-2H+NH4"	16.019271
"37884"	1895.485466	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M-2H+Na"	20.974666
"479265"	2832.740866	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M-2H+Na"	20.974666
"859985"	958.230066	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-2H+Na"	20.974666
"1628787"	958.230066	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Na-2H"	20.974666
"100942"	954.236463	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M-H+Cl"	33.962126
"544879"	1422.864163	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M-H+Cl"	33.962126
"938032"	485.608763	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-H+Cl"	33.962126
"278044"	1909.480202	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+Cl"	34.969402
"663907"	2846.735602	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+Cl"	34.969402
"1277404"	972.224802	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Cl"	34.969402
"21056"	1911.459406	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M-2H+K"	36.948606
"469366"	2848.714806	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M-2H+K"	36.948606
"842794"	974.204006	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-2H+K"	36.948606
"1561908"	974.204006	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+K-2H"	36.948606
"943592"	982.253594	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-H+HCOOH"	44.998194
"361806"	1919.509001	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+HCOOH-H"	44.998201
"347515"	1933.524651	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+Hac-H"	59.013851
"1494160"	996.269251	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Hac-H"	59.013851
"960608"	1004.235551	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-H+NaCOOH"	66.980151
"111702"	972.224802	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+2Cl"	69.938804
"554545"	1440.852502	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+2Cl"	69.938804
"1026627"	503.597102	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2Cl"	69.938804
"1247299"	1016.174285	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Br"	78.918885
"1318501"	1018.230272	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Cl+HCOOH"	80.974872
"1331620"	1040.212229	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Cl+NaCOOH"	102.956829
"923048"	1050.240986	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M-H+CF3COOH"	112.985586
"1299025"	1086.217664	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Cl+CF3COOH"	148.962264
"1373176"	902.242724	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H-2H2O"	-35.012676
"1390674"	920.2527	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H-H2O"	-17.0027
"290360"	1875.518076	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+H"	1.007276
"680594"	2812.773476	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+H"	1.007276
"1360224"	938.262676	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H"	1.007276
"133113"	938.262676	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+2H"	2.014552
"580339"	1406.890376	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+2H"	2.014552
"1044761"	469.634976	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2H"	2.014552
"210472"	625.844209333333	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+3H"	3.021828
"652220"	938.262676	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+3H"	3.021828
"1169250"	313.425742666667	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+3H"	3.021828
"430335"	1892.544623	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+NH4"	18.033823
"788052"	2829.800023	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+NH4"	18.033823
"1684381"	955.289223	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+NH4"	18.033823
"331566"	946.7759495	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+H+NH4"	19.041099
"725810"	1415.4036495	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+H+NH4"	19.041099
"1478660"	478.1482495	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H+NH4"	19.041099
"397587"	1897.500018	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+Na"	22.989218
"757489"	2834.755418	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+Na"	22.989218
"1612150"	960.244618	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Na"	22.989218
"316720"	949.253647	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+H+Na"	23.996494
"714610"	1417.881347	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+H+Na"	23.996494
"1469160"	480.625947	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H+Na"	23.996494
"1059490"	320.753056666667	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2H+Na"	25.00377
"1265540"	970.288886	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+CH3OH+H"	33.033486
"381929"	1913.473958	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+K"	38.963158
"746207"	2850.729358	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+K"	38.963158
"1545706"	976.218558	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+K"	38.963158
"298864"	957.240617	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+H+K"	39.970434
"697489"	1425.868317	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+H+K"	39.970434
"1449490"	488.612917	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H+K"	39.970434
"237482"	1916.544626	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+ACN+H"	42.033826
"1210079"	979.289226	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+ACN+H"	42.033826
"1194555"	490.148251	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+ACN+2H"	43.041102
"190102"	1919.48196	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+2Na-H"	44.97116
"630753"	2856.73736	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+2Na-H"	44.97116
"1133899"	982.22656	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2Na-H"	44.97116
"175000"	960.244618	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+2Na"	45.978436
"614925"	1428.872318	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+2Na"	45.978436
"1121348"	491.616918	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2Na"	45.978436
"1400131"	328.080370666667	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H+2Na"	46.985712
"1431521"	984.268146	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H+HCOOH"	47.012746
"221581"	965.27764	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+3H2O+2H"	56.04448
"1510010"	998.32019	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+IsoProp+H"	61.06479
"411155"	968.231588	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+Na+K"	61.952376
"771789"	1436.859288	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+Na+K"	61.952376
"1668850"	499.603888	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Na+K"	61.952376
"257559"	1938.526568	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+ACN+Na"	64.015768
"1227103"	1001.271168	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+ACN+Na"	64.015768
"1713194"	1001.294693	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+NH4+HCOOH"	64.039293
"1178912"	335.407684666667	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+3Na"	68.967654
"1650102"	1006.250088	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Na+HCOOH"	68.994688
"157614"	1951.42984	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+2K-H"	76.91904
"597269"	2888.68524	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+2K-H"	76.91904
"1084362"	1014.17444	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2K-H"	76.91904
"141913"	976.218558	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"2M+2K"	77.926316
"581832"	1444.846258	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"3M+2K"	77.926316
"1068769"	507.590858	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2K"	77.926316
"1100654"	1016.188992	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2K+H"	78.933592
"1336184"	1016.276607	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+DMSO+H"	79.021207
"1005764"	1020.315776	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2ACN+H"	83.060376
"1524667"	1021.309408	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+IsoProp+Na+H"	84.054008
"990425"	510.661526	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+2ACN+2H"	84.067652
"1588289"	1022.224028	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+K+HCOOH"	84.968628
"1414470"	1052.255538	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+H+CF3COOH"	115.000138
"1147316"	531.174801	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+3ACN+2H"	125.094202
"1702782"	1069.282085	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+NH4+CF3COOH"	132.026685
"1634588"	1074.23748	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+Na+CF3COOH"	136.98208
"1585023"	1090.21142	"C16243"	"Cobalt-precorrin 5B"	"C43H50CoN4O16"	"937.2554"	"M+K+CF3COOH"	152.95602
"817018"	924.3203	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M"	0
"989847"	905.30191	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-H2O-H"	-19.01839
"78440"	615.206257333333	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M-3H"	-3.021828
"518303"	923.313024	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M-3H"	-3.021828
"895581"	307.099490666667	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-3H"	-3.021828
"15297"	923.313024	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M-2H"	-2.014552
"453763"	1385.473174	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M-2H"	-2.014552
"832510"	461.152874	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-2H"	-2.014552
"90470"	1847.633324	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M-H"	-1.007276
"533557"	2771.953624	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M-H"	-1.007276
"908927"	923.313024	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-H"	-1.007276
"53460"	1864.659871	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M-2H+NH4"	16.019271
"497395"	2788.980171	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M-2H+NH4"	16.019271
"874103"	940.339571	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-2H+NH4"	16.019271
"44190"	1869.615266	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M-2H+Na"	20.974666
"484843"	2793.935566	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M-2H+Na"	20.974666
"858271"	945.294966	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-2H+Na"	20.974666
"1624523"	945.294966	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Na-2H"	20.974666
"97771"	941.301363	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M-H+Cl"	33.962126
"548756"	1403.461513	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M-H+Cl"	33.962126
"941909"	479.141213	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-H+Cl"	33.962126
"279250"	1883.610002	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+Cl"	34.969402
"666204"	2807.930302	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+Cl"	34.969402
"1276420"	959.289702	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Cl"	34.969402
"26633"	1885.589206	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M-2H+K"	36.948606
"467291"	2809.909506	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M-2H+K"	36.948606
"840719"	961.268906	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-2H+K"	36.948606
"1565299"	961.268906	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+K-2H"	36.948606
"945526"	969.318494	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-H+HCOOH"	44.998194
"365930"	1893.638801	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+HCOOH-H"	44.998201
"353092"	1907.654451	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+Hac-H"	59.013851
"1497916"	983.334151	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Hac-H"	59.013851
"965093"	991.300451	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-H+NaCOOH"	66.980151
"117281"	959.289702	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+2Cl"	69.938804
"554656"	1421.449852	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+2Cl"	69.938804
"1027830"	497.129552	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2Cl"	69.938804
"1247409"	1003.239185	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Br"	78.918885
"1318856"	1005.295172	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Cl+HCOOH"	80.974872
"1331730"	1027.277129	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Cl+NaCOOH"	102.956829
"925708"	1037.305886	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M-H+CF3COOH"	112.985586
"1302418"	1073.282564	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Cl+CF3COOH"	148.962264
"1371100"	889.307624	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H-2H2O"	-35.012676
"1395888"	907.3176	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H-H2O"	-17.0027
"296667"	1849.647876	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+H"	1.007276
"687265"	2773.968176	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+H"	1.007276
"1360334"	925.327576	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H"	1.007276
"132131"	925.327576	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+2H"	2.014552
"572785"	1387.487726	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+2H"	2.014552
"1050701"	463.167426	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2H"	2.014552
"208396"	617.220809333333	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+3H"	3.021828
"653423"	925.327576	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+3H"	3.021828
"1169362"	309.114042666667	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+3H"	3.021828
"429355"	1866.674423	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+NH4"	18.033823
"791445"	2790.994723	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+NH4"	18.033823
"1684128"	942.354123	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+NH4"	18.033823
"332771"	933.8408495	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+H+NH4"	19.041099
"724464"	1396.0009995	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+H+NH4"	19.041099
"1481203"	471.6806995	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H+NH4"	19.041099
"400979"	1871.629818	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+Na"	22.989218
"766349"	2795.950118	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+Na"	22.989218
"1612262"	947.309518	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Na"	22.989218
"324487"	936.318547	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+H+Na"	23.996494
"715451"	1398.478697	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+H+Na"	23.996494
"1468543"	474.158397	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H+Na"	23.996494
"1060695"	316.441356666667	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2H+Na"	25.00377
"1261281"	957.353786	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+CH3OH+H"	33.033486
"388604"	1887.603758	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+K"	38.963158
"750693"	2811.924058	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+K"	38.963158
"1546181"	963.283458	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+K"	38.963158
"305180"	944.305517	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+H+K"	39.970434
"697968"	1406.465667	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+H+K"	39.970434
"1455069"	482.145367	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H+K"	39.970434
"240393"	1890.674426	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+ACN+H"	42.033826
"1215653"	966.354126	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+ACN+H"	42.033826
"1201357"	483.680701	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+ACN+2H"	43.041102
"190582"	1893.61176	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+2Na-H"	44.97116
"630136"	2817.93206	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+2Na-H"	44.97116
"1136565"	969.29146	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2Na-H"	44.97116
"175113"	947.309518	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+2Na"	45.978436
"614432"	1409.469668	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+2Na"	45.978436
"1118179"	485.149368	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2Na"	45.978436
"1401334"	323.768670666667	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H+2Na"	46.985712
"1431633"	971.333046	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H+HCOOH"	47.012746
"223881"	952.34254	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+3H2O+2H"	56.04448
"1512675"	985.38509	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+IsoProp+H"	61.06479
"414550"	955.296488	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+Na+K"	61.952376
"778827"	1417.456638	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+Na+K"	61.952376
"1676250"	493.136338	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Na+K"	61.952376
"262772"	1912.656368	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+ACN+Na"	64.015768
"1232204"	988.336068	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+ACN+Na"	64.015768
"1718902"	988.359593	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+NH4+HCOOH"	64.039293
"1182071"	331.095984666667	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+3Na"	68.967654
"1657431"	993.314988	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Na+HCOOH"	68.994688
"163200"	1925.55964	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+2K-H"	76.91904
"602764"	2849.87994	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+2K-H"	76.91904
"1090555"	1001.23934	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2K-H"	76.91904
"148465"	963.283458	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"2M+2K"	77.926316
"585840"	1425.443608	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"3M+2K"	77.926316
"1073635"	501.123308	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2K"	77.926316
"1105752"	1003.253892	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2K+H"	78.933592
"1343227"	1003.341507	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+DMSO+H"	79.021207
"1011757"	1007.380676	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2ACN+H"	83.060376
"1528788"	1008.374308	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+IsoProp+Na+H"	84.054008
"997424"	504.193976	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+2ACN+2H"	84.067652
"1587185"	1009.288928	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+K+HCOOH"	84.968628
"1415884"	1039.320438	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+H+CF3COOH"	115.000138
"1152249"	524.707251	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+3ACN+2H"	125.094202
"1702892"	1056.346985	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+NH4+CF3COOH"	132.026685
"1636360"	1061.30238	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+Na+CF3COOH"	136.98208
"1585133"	1077.27632	"C16244"	"Cobalt-precorrin 7"	"C44H57CoN4O14"	"924.3203"	"M+K+CF3COOH"	152.95602
"812217"	194.0427	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"988676"	175.02431	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"74003"	128.354524	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"514656"	193.035424	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"893550"	63.673624	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"11033"	193.035424	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"454846"	290.056774	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"831676"	96.014074	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"92763"	387.078124	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"534182"	581.120824	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"911307"	193.035424	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"62321"	404.104671	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"502000"	598.147371	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"877494"	210.061971	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"42114"	409.060066	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"486822"	603.102766	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"862028"	215.017366	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1629008"	215.017366	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"105537"	211.023763	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"548866"	308.045113	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"941411"	114.002413	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"282484"	423.054802	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"666314"	617.097502	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1279811"	229.012102	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"26743"	425.034006	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"470563"	619.076706	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"847757"	230.991306	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1567597"	230.991306	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"955481"	239.040894	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"375155"	433.083601	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"354298"	447.099251	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1504954"	253.056551	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"966297"	261.022851	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"121767"	229.012102	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"563152"	326.033452	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1033410"	131.990752	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1250800"	272.961585	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1318359"	275.017572	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1333672"	296.999529	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"924365"	307.028286	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1302164"	343.004964	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1379962"	159.030024	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1396366"	177.04	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"295322"	389.092676	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"688836"	583.135376	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1364458"	195.049976	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"135521"	195.049976	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"572895"	292.071326	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1051907"	98.028626	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"219081"	130.369076	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"659004"	195.049976	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1175671"	65.688176	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"437122"	406.119223	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"793742"	600.161923	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1690074"	212.076523	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"339446"	203.5632495	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"731867"	300.5845995	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1486783"	106.5418995	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"405463"	411.074618	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"767188"	605.117318	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1614557"	217.031918	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"327514"	206.040947	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"719206"	303.062297	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1474122"	109.019597	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1064085"	73.01549	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1265765"	227.076186	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"391993"	427.048558	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"751895"	621.091258	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1550670"	233.005858	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"307842"	214.027917	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"702451"	311.049267	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1457002"	117.006567	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"243054"	430.119226	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1220866"	236.076526	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1205842"	118.541901	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"192152"	433.05656	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"629887"	627.09926	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1134853"	239.01386	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"175228"	217.031918	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"617342"	314.053268	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1117559"	120.010568	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1399987"	80.342804	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1431379"	241.055446	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"222899"	222.06494	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1511691"	255.10749	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"413200"	225.018888	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"777843"	322.040238	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1673079"	127.997538	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"261788"	452.101168	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1232314"	258.058468	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1721200"	258.081993	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1188741"	87.670118	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1660825"	263.037388	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"169508"	465.00444	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"603968"	659.04714	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1090668"	270.96174	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"148576"	233.005858	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"590325"	330.027208	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1073745"	135.984508	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1106954"	272.976292	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1344432"	273.063907	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1012961"	277.103076	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1532180"	278.096708	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1002273"	139.055176	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1587417"	279.011328	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1416603"	309.042838	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1149079"	159.568451	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1699722"	326.069385	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1637563"	331.02478	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1585243"	346.99872	"C16245"	"D-Glucuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"805767"	292.8687	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M"	0
"988662"	273.85031	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-H2O-H"	-19.01839
"74113"	194.238524	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M-3H"	-3.021828
"515859"	291.861424	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M-3H"	-3.021828
"891473"	96.615624	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-3H"	-3.021828
"13328"	291.861424	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M-2H"	-2.014552
"450702"	438.295774	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M-2H"	-2.014552
"826315"	145.427074	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-2H"	-2.014552
"93560"	584.730124	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M-H"	-1.007276
"530249"	877.598824	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M-H"	-1.007276
"908049"	291.861424	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-H"	-1.007276
"58053"	601.756671	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M-2H+NH4"	16.019271
"496520"	894.625371	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M-2H+NH4"	16.019271
"871044"	308.887971	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-2H+NH4"	16.019271
"41860"	606.712066	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M-2H+Na"	20.974666
"483972"	899.580766	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M-2H+Na"	20.974666
"859950"	313.843366	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-2H+Na"	20.974666
"1629845"	313.843366	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Na-2H"	20.974666
"102365"	309.849763	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M-H+Cl"	33.962126
"541927"	456.284113	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M-H+Cl"	33.962126
"941277"	163.415413	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-H+Cl"	33.962126
"281536"	620.706802	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+Cl"	34.969402
"664237"	913.575502	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+Cl"	34.969402
"1279921"	327.838102	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Cl"	34.969402
"19198"	622.686006	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M-2H+K"	36.948606
"467510"	915.554706	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M-2H+K"	36.948606
"842031"	329.817306	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-2H+K"	36.948606
"1570259"	329.817306	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+K-2H"	36.948606
"955592"	337.866894	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-H+HCOOH"	44.998194
"376724"	630.735601	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+HCOOH-H"	44.998201
"357325"	644.751251	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+Hac-H"	59.013851
"1505064"	351.882551	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Hac-H"	59.013851
"965313"	359.848851	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-H+NaCOOH"	66.980151
"122606"	327.838102	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+2Cl"	69.938804
"564235"	474.272452	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+2Cl"	69.938804
"1035344"	181.403752	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2Cl"	69.938804
"1256623"	371.787585	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Br"	78.918885
"1319688"	373.843572	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Cl+HCOOH"	80.974872
"1334997"	395.825529	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Cl+NaCOOH"	102.956829
"925933"	405.854286	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M-H+CF3COOH"	112.985586
"1303010"	441.830964	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Cl+CF3COOH"	148.962264
"1380439"	257.856024	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H-2H2O"	-35.012676
"1395017"	275.866	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H-H2O"	-17.0027
"293972"	586.744676	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+H"	1.007276
"688947"	879.613376	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+H"	1.007276
"1363837"	293.875976	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H"	1.007276
"135630"	293.875976	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+2H"	2.014552
"573005"	440.310326	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+2H"	2.014552
"1051044"	147.441626	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2H"	2.014552
"217485"	196.253076	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+3H"	3.021828
"659358"	293.875976	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+3H"	3.021828
"1175052"	98.630176	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+3H"	3.021828
"437964"	603.771223	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+NH4"	18.033823
"794947"	896.639923	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+NH4"	18.033823
"1692373"	310.902523	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+NH4"	18.033823
"339556"	302.3892495	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+H+NH4"	19.041099
"731977"	448.8235995	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+H+NH4"	19.041099
"1486893"	155.9548995	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H+NH4"	19.041099
"406303"	608.726618	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+Na"	22.989218
"767664"	901.595318	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+Na"	22.989218
"1613574"	315.857918	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Na"	22.989218
"327986"	304.866947	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+H+Na"	23.996494
"720410"	451.301297	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+H+Na"	23.996494
"1475326"	158.432597	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H+Na"	23.996494
"1065288"	105.95749	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2H+Na"	25.00377
"1269156"	325.902186	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+CH3OH+H"	33.033486
"390647"	624.700558	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+K"	38.963158
"748728"	917.569258	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+K"	38.963158
"1551509"	331.831858	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+K"	38.963158
"306860"	312.853917	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+H+K"	39.970434
"700377"	459.288267	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+H+K"	39.970434
"1456386"	166.419567	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H+K"	39.970434
"239156"	627.771226	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+ACN+H"	42.033826
"1220978"	334.902526	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+ACN+H"	42.033826
"1200486"	167.954901	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+ACN+2H"	43.041102
"191899"	630.70856	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+2Na-H"	44.97116
"634012"	923.57726	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+2Na-H"	44.97116
"1139702"	337.83986	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2Na-H"	44.97116
"175826"	315.857918	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+2Na"	45.978436
"616360"	462.292268	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+2Na"	45.978436
"1117673"	169.423568	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2Na"	45.978436
"1399615"	113.284804	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H+2Na"	46.985712
"1432948"	339.881446	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H+HCOOH"	47.012746
"228117"	320.89094	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+3H2O+2H"	56.04448
"1511440"	353.93349	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+IsoProp+H"	61.06479
"411852"	323.844888	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+Na+K"	61.952376
"774675"	470.279238	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+Na+K"	61.952376
"1674284"	177.410538	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Na+K"	61.952376
"259710"	649.753168	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+ACN+Na"	64.015768
"1232788"	356.884468	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+ACN+Na"	64.015768
"1720217"	356.907993	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+NH4+HCOOH"	64.039293
"1185571"	120.612118	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+3Na"	68.967654
"1663120"	361.863388	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Na+HCOOH"	68.994688
"168889"	662.65644	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+2K-H"	76.91904
"608450"	955.52514	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+2K-H"	76.91904
"1092962"	369.78774	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2K-H"	76.91904
"150873"	331.831858	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"2M+2K"	77.926316
"592621"	478.266208	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"3M+2K"	77.926316
"1077136"	185.397508	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2K"	77.926316
"1108158"	371.802292	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2K+H"	78.933592
"1344542"	371.889907	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+DMSO+H"	79.021207
"1015258"	375.929076	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2ACN+H"	83.060376
"1534476"	376.922708	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+IsoProp+Na+H"	84.054008
"1000924"	188.468176	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+2ACN+2H"	84.067652
"1587770"	377.837328	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+K+HCOOH"	84.968628
"1418900"	407.868838	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+H+CF3COOH"	115.000138
"1154655"	208.981451	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+3ACN+2H"	125.094202
"1705300"	424.895385	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+NH4+CF3COOH"	132.026685
"1637673"	429.85078	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+Na+CF3COOH"	136.98208
"1585353"	445.82472	"C16246"	"35-Dibromo-4-hydroxybenzamide"	"C7H5Br2NO2"	"292.8687"	"M+K+CF3COOH"	152.95602
"806970"	249.8629	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M"	0
"989500"	230.84451	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H2O-H"	-19.01839
"77137"	165.567990666667	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-3H"	-3.021828
"517915"	248.855624	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-3H"	-3.021828
"893769"	82.2803573333333	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-3H"	-3.021828
"13438"	248.855624	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H"	-2.014552
"453971"	373.787074	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H"	-2.014552
"828611"	123.924174	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H"	-2.014552
"93918"	498.718524	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-H"	-1.007276
"533031"	748.581424	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-H"	-1.007276
"909133"	248.855624	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H"	-1.007276
"55976"	515.745071	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H+NH4"	16.019271
"498817"	765.607971	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H+NH4"	16.019271
"875163"	265.882171	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H+NH4"	16.019271
"41605"	520.700466	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H+Na"	20.974666
"484812"	770.563366	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H+Na"	20.974666
"862006"	270.837566	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H+Na"	20.974666
"1630320"	270.837566	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na-2H"	20.974666
"101381"	266.843963	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-H+Cl"	33.962126
"543130"	391.775413	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-H+Cl"	33.962126
"940415"	141.912513	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+Cl"	33.962126
"276300"	534.695202	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Cl"	34.969402
"665440"	784.558102	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+Cl"	34.969402
"1276750"	284.832302	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl"	34.969402
"22588"	536.674406	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M-2H+K"	36.948606
"467619"	786.537306	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M-2H+K"	36.948606
"842142"	286.811506	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-2H+K"	36.948606
"1567817"	286.811506	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K-2H"	36.948606
"955702"	294.861094	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+HCOOH"	44.998194
"374646"	544.724001	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+HCOOH-H"	44.998201
"354518"	558.739651	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Hac-H"	59.013851
"1502257"	308.876751	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Hac-H"	59.013851
"964329"	316.843051	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+NaCOOH"	66.980151
"122716"	284.832302	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2Cl"	69.938804
"564466"	409.763752	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2Cl"	69.938804
"1036183"	159.900852	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2Cl"	69.938804
"1253938"	328.781785	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Br"	78.918885
"1319189"	330.837772	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl+HCOOH"	80.974872
"1334985"	352.819729	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl+NaCOOH"	102.956829
"926651"	362.848486	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M-H+CF3COOH"	112.985586
"1302389"	398.825164	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Cl+CF3COOH"	148.962264
"1379817"	214.850224	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H-2H2O"	-35.012676
"1395855"	232.8602	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H-H2O"	-17.0027
"295175"	500.733076	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H"	1.007276
"685410"	750.595976	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H"	1.007276
"1359571"	250.870176	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H"	1.007276
"134646"	250.870176	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2H"	2.014552
"573115"	375.801626	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2H"	2.014552
"1051034"	125.938726	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2H"	2.014552
"216744"	167.582542666667	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+3H"	3.021828
"656674"	250.870176	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+3H"	3.021828
"1173704"	84.2949093333333	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+3H"	3.021828
"435521"	517.759623	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+NH4"	18.033823
"796879"	767.622523	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+NH4"	18.033823
"1692121"	267.896723	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+NH4"	18.033823
"339666"	259.3834495	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H+NH4"	19.041099
"733545"	384.3148995	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H+NH4"	19.041099
"1489191"	134.4519995	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+NH4"	19.041099
"406050"	522.715018	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Na"	22.989218
"767774"	772.577918	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+Na"	22.989218
"1613685"	272.852118	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na"	22.989218
"327736"	261.861147	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H+Na"	23.996494
"718699"	386.792597	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H+Na"	23.996494
"1470335"	136.929697	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+Na"	23.996494
"1059936"	91.6222233333333	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2H+Na"	25.00377
"1264896"	282.896386	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+CH3OH+H"	33.033486
"383471"	538.688958	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+K"	38.963158
"746654"	788.551858	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+K"	38.963158
"1545426"	288.826058	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K"	38.963158
"306971"	269.848117	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+H+K"	39.970434
"696116"	394.779567	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+H+K"	39.970434
"1451030"	144.916667	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+K"	39.970434
"236713"	541.759626	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+ACN+H"	42.033826
"1214889"	291.896726	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+ACN+H"	42.033826
"1199503"	146.452001	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+ACN+2H"	43.041102
"189820"	544.69696	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2Na-H"	44.97116
"630596"	794.55986	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2Na-H"	44.97116
"1133250"	294.83406	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2Na-H"	44.97116
"175078"	272.852118	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2Na"	45.978436
"615253"	397.783568	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2Na"	45.978436
"1116689"	147.920668	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2Na"	45.978436
"1400569"	98.9495373333333	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+2Na"	46.985712
"1431964"	296.875646	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+HCOOH"	47.012746
"228229"	277.88514	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+3H2O+2H"	56.04448
"1513008"	310.92769	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+IsoProp+H"	61.06479
"413787"	280.839088	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+Na+K"	61.952376
"778063"	405.770538	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+Na+K"	61.952376
"1674393"	155.907638	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na+K"	61.952376
"260913"	563.741568	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+ACN+Na"	64.015768
"1232534"	313.878668	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+ACN+Na"	64.015768
"1719234"	313.902193	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+NH4+HCOOH"	64.039293
"1184588"	106.276851333333	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+3Na"	68.967654
"1662866"	318.857588	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na+HCOOH"	68.994688
"168998"	576.64484	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2K-H"	76.91904
"607468"	826.50774	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2K-H"	76.91904
"1096353"	326.78194	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2K-H"	76.91904
"153171"	288.826058	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"2M+2K"	77.926316
"589451"	413.757508	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"3M+2K"	77.926316
"1076152"	163.894608	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2K"	77.926316
"1106082"	328.796492	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2K+H"	78.933592
"1344650"	328.884107	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+DMSO+H"	79.021207
"1015368"	332.923276	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2ACN+H"	83.060376
"1535679"	333.916908	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+IsoProp+Na+H"	84.054008
"1002126"	166.965276	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+2ACN+2H"	84.067652
"1589340"	334.831528	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K+HCOOH"	84.968628
"1419010"	364.863038	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+H+CF3COOH"	115.000138
"1152578"	187.478551	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+3ACN+2H"	125.094202
"1703223"	381.889585	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+NH4+CF3COOH"	132.026685
"1637784"	386.84498	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+Na+CF3COOH"	136.98208
"1585463"	402.81892	"C16247"	"26-Dibromophenol"	"C6H4Br2O"	"249.8629"	"M+K+CF3COOH"	152.95602
"805987"	265.8578	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M"	0
"989489"	246.83941	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-H2O-H"	-19.01839
"76882"	176.231257333333	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M-3H"	-3.021828
"514985"	264.850524	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M-3H"	-3.021828
"893149"	87.6119906666667	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-3H"	-3.021828
"12454"	264.850524	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M-2H"	-2.014552
"454567"	397.779424	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M-2H"	-2.014552
"828721"	131.921624	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-2H"	-2.014552
"93461"	530.708324	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M-H"	-1.007276
"533504"	796.566124	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M-H"	-1.007276
"909607"	264.850524	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-H"	-1.007276
"62041"	547.734871	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M-2H+NH4"	16.019271
"496740"	813.592671	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M-2H+NH4"	16.019271
"875273"	281.877071	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-2H+NH4"	16.019271
"40622"	552.690266	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M-2H+Na"	20.974666
"484193"	818.548066	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M-2H+Na"	20.974666
"860535"	286.832466	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-2H+Na"	20.974666
"1631158"	286.832466	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Na-2H"	20.974666
"101491"	282.838863	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M-H+Cl"	33.962126
"543240"	415.767763	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M-H+Cl"	33.962126
"938947"	149.909963	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-H+Cl"	33.962126
"276410"	566.685002	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+Cl"	34.969402
"665550"	832.542802	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+Cl"	34.969402
"1280140"	300.827202	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Cl"	34.969402
"20512"	568.664206	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M-2H+K"	36.948606
"468460"	834.522006	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M-2H+K"	36.948606
"838971"	302.806406	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-2H+K"	36.948606
"1561365"	302.806406	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+K-2H"	36.948606
"954353"	310.855994	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-H+HCOOH"	44.998194
"376579"	576.713801	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+HCOOH-H"	44.998201
"353534"	590.729451	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+Hac-H"	59.013851
"1502366"	324.871651	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Hac-H"	59.013851
"964439"	332.837951	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-H+NaCOOH"	66.980151
"123555"	300.827202	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+2Cl"	69.938804
"565549"	433.756102	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+2Cl"	69.938804
"1036657"	167.898302	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2Cl"	69.938804
"1254412"	344.776685	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Br"	78.918885
"1319415"	346.832672	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Cl+HCOOH"	80.974872
"1333997"	368.814629	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Cl+NaCOOH"	102.956829
"923963"	378.843386	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M-H+CF3COOH"	112.985586
"1301035"	414.820064	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Cl+CF3COOH"	148.962264
"1381386"	230.845124	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H-2H2O"	-35.012676
"1396694"	248.8551	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H-H2O"	-17.0027
"294192"	532.722876	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+H"	1.007276
"681146"	798.580676	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+H"	1.007276
"1357494"	266.865076	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H"	1.007276
"134756"	266.865076	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+2H"	2.014552
"573225"	399.793976	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+2H"	2.014552
"1050413"	133.936176	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2H"	2.014552
"217582"	178.245809333333	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+3H"	3.021828
"657875"	266.865076	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+3H"	3.021828
"1167617"	89.6265426666667	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+3H"	3.021828
"435631"	549.749423	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+NH4"	18.033823
"796989"	815.607223	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+NH4"	18.033823
"1690404"	283.891623	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+NH4"	18.033823
"338683"	275.3783495	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+H+NH4"	19.041099
"733290"	408.3072495	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+H+NH4"	19.041099
"1486749"	142.4494495	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H+NH4"	19.041099
"407617"	554.704818	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+Na"	22.989218
"768736"	820.562618	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+Na"	22.989218
"1617082"	288.847018	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Na"	22.989218
"328942"	277.856047	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+H+Na"	23.996494
"720998"	410.784947	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+H+Na"	23.996494
"1471174"	144.927147	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H+Na"	23.996494
"1063326"	96.9538566666667	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2H+Na"	25.00377
"1266098"	298.891286	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+CH3OH+H"	33.033486
"384674"	570.678758	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+K"	38.963158
"746764"	836.536558	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+K"	38.963158
"1547358"	304.820958	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+K"	38.963158
"308903"	285.843017	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+H+K"	39.970434
"696226"	418.771917	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+H+K"	39.970434
"1453327"	152.914117	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H+K"	39.970434
"239374"	573.749426	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+ACN+H"	42.033826
"1215730"	307.891626	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+ACN+H"	42.033826
"1202894"	154.449451	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+ACN+2H"	43.041102
"189930"	576.68676	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+2Na-H"	44.97116
"630585"	842.54456	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+2Na-H"	44.97116
"1133360"	310.82896	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2Na-H"	44.97116
"174825"	288.847018	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+2Na"	45.978436
"616216"	421.775918	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+2Na"	45.978436
"1117163"	155.918118	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2Na"	45.978436
"1399710"	104.281170666667	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H+2Na"	46.985712
"1432441"	312.870546	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H+HCOOH"	47.012746
"228337"	293.88004	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+3H2O+2H"	56.04448
"1514211"	326.92259	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+IsoProp+H"	61.06479
"413897"	296.833988	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+Na+K"	61.952376
"774893"	429.762888	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+Na+K"	61.952376
"1674503"	163.905088	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Na+K"	61.952376
"261023"	595.731368	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+ACN+Na"	64.015768
"1232644"	329.873568	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+ACN+Na"	64.015768
"1718249"	329.897093	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+NH4+HCOOH"	64.039293
"1181416"	111.608484666667	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+3Na"	68.967654
"1657871"	334.852488	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Na+HCOOH"	68.994688
"165827"	608.63464	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+2K-H"	76.91904
"608669"	874.49244	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+2K-H"	76.91904
"1092088"	342.77684	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2K-H"	76.91904
"149998"	304.820958	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"2M+2K"	77.926316
"592842"	437.749858	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"3M+2K"	77.926316
"1077356"	171.892058	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2K"	77.926316
"1108379"	344.791392	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2K+H"	78.933592
"1344762"	344.879007	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+DMSO+H"	79.021207
"1017664"	348.918176	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2ACN+H"	83.060376
"1537976"	349.911808	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+IsoProp+Na+H"	84.054008
"1002236"	174.962726	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+2ACN+2H"	84.067652
"1589450"	350.826428	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+K+HCOOH"	84.968628
"1421306"	380.857938	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+H+CF3COOH"	115.000138
"1152688"	195.476001	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+3ACN+2H"	125.094202
"1701146"	397.884485	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+NH4+CF3COOH"	132.026685
"1641174"	402.83988	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+Na+CF3COOH"	136.98208
"1585573"	418.81382	"C16248"	"26-Dibromohydroquinone"	"C6H4Br2O2"	"265.8578"	"M+K+CF3COOH"	152.95602
"806097"	235.932	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M"	0
"988382"	216.91361	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-H2O-H"	-19.01839
"78170"	156.280724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M-3H"	-3.021828
"517888"	234.924724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M-3H"	-3.021828
"893986"	77.636724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-3H"	-3.021828
"15625"	234.924724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M-2H"	-2.014552
"453096"	352.890724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M-2H"	-2.014552
"831017"	116.958724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-2H"	-2.014552
"86634"	470.856724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M-H"	-1.007276
"526193"	706.788724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M-H"	-1.007276
"910081"	234.924724	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-H"	-1.007276
"62698"	487.883271	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M-2H+NH4"	16.019271
"501962"	723.815271	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M-2H+NH4"	16.019271
"877570"	251.951271	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-2H+NH4"	16.019271
"45106"	492.838666	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M-2H+Na"	20.974666
"486615"	728.770666	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M-2H+Na"	20.974666
"862954"	256.906666	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-2H+Na"	20.974666
"1633824"	256.906666	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Na-2H"	20.974666
"104881"	252.913063	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M-H+Cl"	33.962126
"543350"	370.879063	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M-H+Cl"	33.962126
"942380"	134.947063	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-H+Cl"	33.962126
"281017"	506.833402	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+Cl"	34.969402
"666754"	742.765402	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+Cl"	34.969402
"1280250"	270.901402	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Cl"	34.969402
"28276"	508.812606	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M-2H+K"	36.948606
"470028"	744.744606	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M-2H+K"	36.948606
"846735"	272.880606	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-2H+K"	36.948606
"1564755"	272.880606	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+K-2H"	36.948606
"956286"	280.930194	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-H+HCOOH"	44.998194
"376773"	516.862201	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+HCOOH-H"	44.998201
"358383"	530.877851	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+Hac-H"	59.013851
"1504299"	294.945851	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Hac-H"	59.013851
"964549"	302.912151	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-H+NaCOOH"	66.980151
"125245"	270.901402	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+2Cl"	69.938804
"565376"	388.867402	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+2Cl"	69.938804
"1036649"	152.935402	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2Cl"	69.938804
"1254158"	314.850885	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Br"	78.918885
"1319410"	316.906872	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Cl+HCOOH"	80.974872
"1335250"	338.888829	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Cl+NaCOOH"	102.956829
"925901"	348.917586	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M-H+CF3COOH"	112.985586
"1303659"	384.894264	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Cl+CF3COOH"	148.962264
"1378214"	200.919324	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H-2H2O"	-35.012676
"1396440"	218.9293	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H-H2O"	-17.0027
"295761"	472.871276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+H"	1.007276
"688910"	708.803276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+H"	1.007276
"1359792"	236.939276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H"	1.007276
"135961"	236.939276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+2H"	2.014552
"572241"	354.905276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+2H"	2.014552
"1046508"	118.973276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2H"	2.014552
"216963"	158.295276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+3H"	3.021828
"659407"	236.939276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+3H"	3.021828
"1172831"	79.651276	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+3H"	3.021828
"431000"	489.897823	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+NH4"	18.033823
"791995"	725.829823	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+NH4"	18.033823
"1688326"	253.965823	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+NH4"	18.033823
"336606"	245.4525495	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+H+NH4"	19.041099
"730120"	363.4185495	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+H+NH4"	19.041099
"1487223"	127.4865495	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H+NH4"	19.041099
"405902"	494.853218	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+Na"	22.989218
"766534"	730.785218	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+Na"	22.989218
"1612808"	258.921218	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Na"	22.989218
"325033"	247.930247	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+H+Na"	23.996494
"719280"	365.896247	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+H+Na"	23.996494
"1474195"	129.964247	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H+Na"	23.996494
"1062336"	86.97859	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2H+Na"	25.00377
"1269482"	268.965486	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+CH3OH+H"	33.033486
"392435"	510.827158	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+K"	38.963158
"749052"	746.759158	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+K"	38.963158
"1554026"	274.895158	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+K"	38.963158
"308287"	255.917217	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+H+K"	39.970434
"700708"	373.883217	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+H+K"	39.970434
"1456716"	137.951217	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H+K"	39.970434
"240943"	513.897826	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+ACN+H"	42.033826
"1221307"	277.965826	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+ACN+H"	42.033826
"1205190"	139.486551	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+ACN+2H"	43.041102
"198061"	516.83516	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+2Na-H"	44.97116
"635436"	752.76716	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+2Na-H"	44.97116
"1134200"	280.90316	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2Na-H"	44.97116
"176764"	258.921218	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+2Na"	45.978436
"621794"	376.887218	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+2Na"	45.978436
"1119830"	140.955218	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2Na"	45.978436
"1400065"	94.305904	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H+2Na"	46.985712
"1433282"	282.944746	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H+HCOOH"	47.012746
"230635"	263.95424	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+3H2O+2H"	56.04448
"1515416"	296.99679	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+IsoProp+H"	61.06479
"414007"	266.908188	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+Na+K"	61.952376
"776097"	384.874188	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+Na+K"	61.952376
"1674613"	148.942188	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Na+K"	61.952376
"261133"	535.879768	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+ACN+Na"	64.015768
"1232754"	299.947768	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+ACN+Na"	64.015768
"1721640"	299.971293	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+NH4+HCOOH"	64.039293
"1189181"	101.633218	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+3Na"	68.967654
"1657981"	304.926688	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Na+HCOOH"	68.994688
"167030"	548.78304	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+2K-H"	76.91904
"611938"	784.71504	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+2K-H"	76.91904
"1095478"	312.85104	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2K-H"	76.91904
"156551"	274.895158	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"2M+2K"	77.926316
"596356"	392.861158	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"3M+2K"	77.926316
"1079653"	156.929158	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2K"	77.926316
"1107395"	314.865592	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2K+H"	78.933592
"1349125"	314.953207	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+DMSO+H"	79.021207
"1018869"	318.992376	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2ACN+H"	83.060376
"1538087"	319.986008	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+IsoProp+Na+H"	84.054008
"1002346"	159.999826	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+2ACN+2H"	84.067652
"1591383"	320.900628	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+K+HCOOH"	84.968628
"1419229"	350.932138	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+H+CF3COOH"	115.000138
"1156078"	180.513101	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+3ACN+2H"	125.094202
"1702349"	367.958685	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+NH4+CF3COOH"	132.026685
"1639097"	372.91408	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+Na+CF3COOH"	136.98208
"1585683"	388.88802	"C16249"	"2-Bromomaleylacetate"	"C6H5BrO5"	"235.932"	"M+K+CF3COOH"	152.95602
"812768"	168.076	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M"	0
"987398"	149.05761	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-H2O-H"	-19.01839
"77830"	111.043390666667	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M-3H"	-3.021828
"515202"	167.068724	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M-3H"	-3.021828
"890816"	55.0180573333333	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-3H"	-3.021828
"11581"	167.068724	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M-2H"	-2.014552
"452233"	251.106724	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M-2H"	-2.014552
"830034"	83.030724	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-2H"	-2.014552
"86744"	335.144724	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M-H"	-1.007276
"525210"	503.220724	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M-H"	-1.007276
"905208"	167.068724	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-H"	-1.007276
"62781"	352.171271	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M-2H+NH4"	16.019271
"501345"	520.247271	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M-2H+NH4"	16.019271
"879740"	184.095271	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-2H+NH4"	16.019271
"46804"	357.126666	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M-2H+Na"	20.974666
"487099"	525.202666	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M-2H+Na"	20.974666
"863303"	189.050666	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-2H+Na"	20.974666
"1629555"	189.050666	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Na-2H"	20.974666
"100618"	185.057063	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M-H+Cl"	33.962126
"545647"	269.095063	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M-H+Cl"	33.962126
"942684"	101.019063	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-H+Cl"	33.962126
"281371"	371.121402	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+Cl"	34.969402
"669780"	539.197402	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+Cl"	34.969402
"1280361"	203.045402	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Cl"	34.969402
"25105"	373.100606	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M-2H+K"	36.948606
"471232"	541.176606	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M-2H+K"	36.948606
"846845"	205.024606	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-2H+K"	36.948606
"1563770"	205.024606	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+K-2H"	36.948606
"952749"	213.074194	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-H+HCOOH"	44.998194
"372057"	381.150201	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+HCOOH-H"	44.998201
"350473"	395.165851	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+Hac-H"	59.013851
"1501492"	227.089851	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Hac-H"	59.013851
"964659"	235.056151	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-H+NaCOOH"	66.980151
"120128"	203.045402	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+2Cl"	69.938804
"564073"	287.083402	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+2Cl"	69.938804
"1035424"	119.007402	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2Cl"	69.938804
"1253539"	246.994885	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Br"	78.918885
"1319157"	249.050872	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Cl+HCOOH"	80.974872
"1334222"	271.032829	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Cl+NaCOOH"	102.956829
"924916"	281.061586	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M-H+CF3COOH"	112.985586
"1303444"	317.038264	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Cl+CF3COOH"	148.962264
"1378324"	133.063324	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H-2H2O"	-35.012676
"1395458"	151.0733	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H-H2O"	-17.0027
"295143"	337.159276	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+H"	1.007276
"687199"	505.235276	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+H"	1.007276
"1359902"	169.083276	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H"	1.007276
"134978"	169.083276	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+2H"	2.014552
"575632"	253.121276	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+2H"	2.014552
"1049899"	85.045276	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2H"	2.014552
"216342"	113.057942666667	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+3H"	3.021828
"658455"	169.083276	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+3H"	3.021828
"1177314"	57.0326093333333	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+3H"	3.021828
"438767"	354.185823	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+NH4"	18.033823
"795386"	522.261823	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+NH4"	18.033823
"1690622"	186.109823	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+NH4"	18.033823
"339995"	177.5965495	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+H+NH4"	19.041099
"732417"	261.6345495	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+H+NH4"	19.041099
"1487333"	93.5585495	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H+NH4"	19.041099
"401638"	359.141218	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+Na"	22.989218
"765915"	527.217218	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+Na"	22.989218
"1614014"	191.065218	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Na"	22.989218
"329940"	180.074247	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+H+Na"	23.996494
"721699"	264.112247	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+H+Na"	23.996494
"1473574"	96.036247	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H+Na"	23.996494
"1064633"	64.3599233333333	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2H+Na"	25.00377
"1269594"	201.109486	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+CH3OH+H"	33.033486
"390354"	375.115158	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+K"	38.963158
"749891"	543.191158	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+K"	38.963158
"1554502"	207.039158	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+K"	38.963158
"309489"	188.061217	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+H+K"	39.970434
"703004"	272.099217	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+H+K"	39.970434
"1460472"	104.023217	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H+K"	39.970434
"244333"	378.185826	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+ACN+H"	42.033826
"1222510"	210.109826	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+ACN+H"	42.033826
"1200926"	105.558551	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+ACN+2H"	43.041102
"197078"	381.12316	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+2Na-H"	44.97116
"637734"	549.19916	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+2Na-H"	44.97116
"1137959"	213.04716	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2Na-H"	44.97116
"185626"	191.065218	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+2Na"	45.978436
"620812"	275.103218	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+2Na"	45.978436
"1123221"	107.027218	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2Na"	45.978436
"1406746"	71.6872373333333	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H+2Na"	46.985712
"1444332"	215.088746	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H+HCOOH"	47.012746
"232933"	196.09824	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+3H2O+2H"	56.04448
"1515526"	229.14079	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+IsoProp+H"	61.06479
"416304"	199.052188	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+Na+K"	61.952376
"778394"	283.090188	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+Na+K"	61.952376
"1674723"	115.014188	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Na+K"	61.952376
"261243"	400.167768	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+ACN+Na"	64.015768
"1233957"	232.091768	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+ACN+Na"	64.015768
"1721750"	232.115293	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+NH4+HCOOH"	64.039293
"1190385"	79.0145513333333	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+3Na"	68.967654
"1662465"	237.070688	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Na+HCOOH"	68.994688
"166047"	413.07104	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+2K-H"	76.91904
"612662"	581.14704	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+2K-H"	76.91904
"1095588"	244.99504	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2K-H"	76.91904
"156415"	207.039158	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"2M+2K"	77.926316
"596713"	291.077158	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"3M+2K"	77.926316
"1077575"	123.001158	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2K"	77.926316
"1111878"	247.009592	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2K+H"	78.933592
"1348261"	247.097207	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+DMSO+H"	79.021207
"1020679"	251.136376	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2ACN+H"	83.060376
"1539419"	252.130008	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+IsoProp+Na+H"	84.054008
"1002456"	126.071826	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+2ACN+2H"	84.067652
"1593679"	253.044628	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+K+HCOOH"	84.968628
"1418245"	283.076138	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+H+CF3COOH"	115.000138
"1149629"	146.585101	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+3ACN+2H"	125.094202
"1700272"	300.102685	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+NH4+CF3COOH"	132.026685
"1640300"	305.05808	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+Na+CF3COOH"	136.98208
"1585793"	321.03202	"C16250"	"MTIC"	"C5H8N6O"	"168.076"	"M+K+CF3COOH"	152.95602
"806317"	418.3811	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M"	0
"985321"	399.36271	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H2O-H"	-19.01839
"76846"	277.913457333333	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-3H"	-3.021828
"514218"	417.373824	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-3H"	-3.021828
"889833"	138.453090666667	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-3H"	-3.021828
"11691"	417.373824	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H"	-2.014552
"453436"	626.564374	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H"	-2.014552
"829051"	208.183274	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H"	-2.014552
"85761"	835.754924	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-H"	-1.007276
"524227"	1254.136024	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-H"	-1.007276
"905318"	417.373824	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H"	-1.007276
"62653"	852.781471	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H+NH4"	16.019271
"501942"	1271.162571	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H+NH4"	16.019271
"879665"	434.400371	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H+NH4"	16.019271
"47001"	857.736866	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H+Na"	20.974666
"485613"	1276.117966	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H+Na"	20.974666
"861227"	439.355766	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H+Na"	20.974666
"1628572"	439.355766	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na-2H"	20.974666
"99635"	435.362163	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-H+Cl"	33.962126
"546850"	644.552713	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-H+Cl"	33.962126
"942646"	226.171613	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+Cl"	33.962126
"282496"	871.731602	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Cl"	34.969402
"670254"	1290.112702	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+Cl"	34.969402
"1280470"	453.350502	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl"	34.969402
"26308"	873.710806	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M-2H+K"	36.948606
"470982"	1292.091906	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M-2H+K"	36.948606
"846594"	455.329706	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-2H+K"	36.948606
"1566067"	455.329706	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K-2H"	36.948606
"951402"	463.379294	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+HCOOH"	44.998194
"371074"	881.760401	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+HCOOH-H"	44.998201
"350947"	895.776051	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Hac-H"	59.013851
"1498322"	477.394951	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Hac-H"	59.013851
"967685"	485.361251	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+NaCOOH"	66.980151
"119874"	453.350502	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2Cl"	69.938804
"565196"	662.541052	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2Cl"	69.938804
"1036623"	244.159952	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2Cl"	69.938804
"1256207"	497.299985	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Br"	78.918885
"1319592"	499.355972	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl+HCOOH"	80.974872
"1334819"	521.337929	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl+NaCOOH"	102.956829
"926116"	531.366686	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M-H+CF3COOH"	112.985586
"1300639"	567.343364	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Cl+CF3COOH"	148.962264
"1376247"	383.368424	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H-2H2O"	-35.012676
"1394473"	401.3784	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H-H2O"	-17.0027
"294526"	837.769476	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H"	1.007276
"688039"	1256.150576	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H"	1.007276
"1363294"	419.388376	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H"	1.007276
"138736"	419.388376	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2H"	2.014552
"575742"	628.578926	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2H"	2.014552
"1050011"	210.197826	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2H"	2.014552
"216816"	279.928009333333	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+3H"	3.021828
"658813"	419.388376	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+3H"	3.021828
"1177061"	140.467642666667	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+3H"	3.021828
"438513"	854.796023	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+NH4"	18.033823
"799144"	1273.177123	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+NH4"	18.033823
"1691826"	436.414923	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+NH4"	18.033823
"336824"	427.9016495	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H+NH4"	19.041099
"729247"	637.0921995	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H+NH4"	19.041099
"1487443"	218.7110995	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+NH4"	19.041099
"401748"	859.751418	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Na"	22.989218
"767118"	1278.132518	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+Na"	22.989218
"1613028"	441.370318	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na"	22.989218
"324161"	430.379347	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H+Na"	23.996494
"721688"	639.569897	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H+Na"	23.996494
"1475871"	221.188797	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+Na"	23.996494
"1062554"	147.794956666667	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2H+Na"	25.00377
"1268608"	451.414586	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+CH3OH+H"	33.033486
"387912"	875.725358	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+K"	38.963158
"751092"	1294.106458	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+K"	38.963158
"1554732"	457.344258	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K"	38.963158
"309597"	438.366317	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+H+K"	39.970434
"705300"	647.556867	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+H+K"	39.970434
"1458027"	229.175767	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+K"	39.970434
"245538"	878.796026	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+ACN+H"	42.033826
"1219339"	460.414926	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+ACN+H"	42.033826
"1205410"	230.711101	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+ACN+2H"	43.041102
"197187"	881.73336	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2Na-H"	44.97116
"633103"	1300.11446	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2Na-H"	44.97116
"1136975"	463.35226	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2Na-H"	44.97116
"175891"	441.370318	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2Na"	45.978436
"614721"	650.560868	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2Na"	45.978436
"1120050"	232.179768	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2Na"	45.978436
"1404667"	155.122270666667	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+2Na"	46.985712
"1431315"	465.393846	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+HCOOH"	47.012746
"228669"	446.40334	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+3H2O+2H"	56.04448
"1513449"	479.44589	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+IsoProp+H"	61.06479
"416414"	449.357288	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+Na+K"	61.952376
"776317"	658.547838	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+Na+K"	61.952376
"1671553"	240.166738	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na+K"	61.952376
"261353"	900.777968	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+ACN+Na"	64.015768
"1237346"	482.396868	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+ACN+Na"	64.015768
"1724046"	482.420393	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+NH4+HCOOH"	64.039293
"1191588"	162.449584666667	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+3Na"	68.967654
"1662576"	487.375788	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na+HCOOH"	68.994688
"166157"	913.68124	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2K-H"	76.91904
"612784"	1332.06234	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2K-H"	76.91904
"1095698"	495.30014	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2K-H"	76.91904
"156525"	457.344258	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"2M+2K"	77.926316
"596907"	666.534808	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"3M+2K"	77.926316
"1077686"	248.153708	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2K"	77.926316
"1110895"	497.314692	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2K+H"	78.933592
"1349464"	497.402307	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+DMSO+H"	79.021207
"1020059"	501.441476	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2ACN+H"	83.060376
"1539525"	502.435108	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+IsoProp+Na+H"	84.054008
"1002566"	251.224376	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+2ACN+2H"	84.067652
"1593789"	503.349728	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K+HCOOH"	84.968628
"1418355"	533.381238	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+H+CF3COOH"	115.000138
"1150832"	271.737651	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+3ACN+2H"	125.094202
"1703662"	550.407785	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+NH4+CF3COOH"	132.026685
"1640410"	555.36318	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+Na+CF3COOH"	136.98208
"1585903"	571.33712	"C16251"	"3-epi-6-Deoxocathasterone"	"C28H50O2"	"418.3811"	"M+K+CF3COOH"	152.95602
"806427"	432.3603	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M"	0
"987618"	413.34191	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-H2O-H"	-19.01839
"76956"	287.232924	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M-3H"	-3.021828
"515423"	431.353024	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M-3H"	-3.021828
"891036"	143.112824	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-3H"	-3.021828
"14232"	431.353024	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M-2H"	-2.014552
"453184"	647.533174	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M-2H"	-2.014552
"830253"	215.172874	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-2H"	-2.014552
"89151"	863.713324	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M-H"	-1.007276
"521057"	1296.073624	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M-H"	-1.007276
"909314"	431.353024	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-H"	-1.007276
"60775"	880.739871	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M-2H+NH4"	16.019271
"502043"	1313.100171	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M-2H+NH4"	16.019271
"878509"	448.379571	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-2H+NH4"	16.019271
"45924"	885.695266	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M-2H+Na"	20.974666
"485358"	1318.055566	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M-2H+Na"	20.974666
"860242"	453.334966	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-2H+Na"	20.974666
"1630869"	453.334966	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Na-2H"	20.974666
"108492"	449.341363	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M-H+Cl"	33.962126
"541492"	665.521513	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M-H+Cl"	33.962126
"942509"	233.161213	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-H+Cl"	33.962126
"281226"	899.690002	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+Cl"	34.969402
"667084"	1332.050302	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+Cl"	34.969402
"1278394"	467.329702	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Cl"	34.969402
"23138"	901.669206	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M-2H+K"	36.948606
"469264"	1334.029506	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M-2H+K"	36.948606
"846338"	469.308906	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-2H+K"	36.948606
"1565084"	469.308906	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+K-2H"	36.948606
"951875"	477.358494	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-H+HCOOH"	44.998194
"371184"	909.718801	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+HCOOH-H"	44.998201
"350693"	923.734451	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+Hac-H"	59.013851
"1495152"	491.374151	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Hac-H"	59.013851
"965973"	499.340451	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-H+NaCOOH"	66.980151
"119984"	467.329702	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+2Cl"	69.938804
"564895"	683.509852	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+2Cl"	69.938804
"1036001"	251.149552	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+2Cl"	69.938804
"1255949"	511.279185	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Br"	78.918885
"1319787"	513.335172	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Cl+HCOOH"	80.974872
"1335173"	535.317129	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Cl+NaCOOH"	102.956829
"926674"	545.345886	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M-H+CF3COOH"	112.985586
"1302571"	581.322564	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Cl+CF3COOH"	148.962264
"1377451"	397.347624	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+H-2H2O"	-35.012676
"1394583"	415.3576	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+H-H2O"	-17.0027
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"687420"	1298.088176	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+H"	1.007276
"1364863"	433.367576	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+H"	1.007276
"138846"	433.367576	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+2H"	2.014552
"578770"	649.547726	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+2H"	2.014552
"1049757"	217.187426	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+2H"	2.014552
"213646"	289.247476	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+3H"	3.021828
"657585"	433.367576	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+3H"	3.021828
"1177171"	145.127376	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+3H"	3.021828
"437530"	882.754423	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+NH4"	18.033823
"798525"	1315.114723	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+NH4"	18.033823
"1688656"	450.394123	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+NH4"	18.033823
"339851"	441.8808495	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+H+NH4"	19.041099
"729357"	658.0609995	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+H+NH4"	19.041099
"1485366"	225.7006995	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+H+NH4"	19.041099
"401858"	887.709818	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+Na"	22.989218
"762852"	1320.070118	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+Na"	22.989218
"1613138"	455.349518	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+Na"	22.989218
"322085"	444.358547	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+H+Na"	23.996494
"719974"	660.538697	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+H+Na"	23.996494
"1473795"	228.178397	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+H+Na"	23.996494
"1062664"	152.45469	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+2H+Na"	25.00377
"1269811"	465.393786	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+CH3OH+H"	33.033486
"389479"	903.683758	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+K"	38.963158
"749381"	1336.044058	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+K"	38.963158
"1553627"	471.323458	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+K"	38.963158
"308614"	452.345517	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"2M+H+K"	39.970434
"703223"	668.525667	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"3M+H+K"	39.970434
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"1203333"	237.700701	"C16252"	"(22R23R)-2223-Dihydroxycampesterol"	"C28H48O3"	"432.3603"	"M+ACN+2H"	43.041102
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"85981"	859.682124	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M-H"	-1.007276
"521531"	1290.026824	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M-H"	-1.007276
"898234"	429.337424	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-H"	-1.007276
"60764"	876.708671	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M-2H+NH4"	16.019271
"501545"	1307.053371	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M-2H+NH4"	16.019271
"878499"	446.363971	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-2H+NH4"	16.019271
"45426"	881.664066	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M-2H+Na"	20.974666
"483645"	1312.008766	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M-2H+Na"	20.974666
"858166"	451.319366	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-2H+Na"	20.974666
"1628793"	451.319366	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Na-2H"	20.974666
"107509"	447.325763	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M-H+Cl"	33.962126
"541602"	662.498113	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M-H+Cl"	33.962126
"940956"	232.153413	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-H+Cl"	33.962126
"281335"	895.658802	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+Cl"	34.969402
"663914"	1326.003502	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+Cl"	34.969402
"1281784"	465.314102	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Cl"	34.969402
"19968"	897.638006	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M-2H+K"	36.948606
"463901"	1327.982706	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M-2H+K"	36.948606
"844625"	467.293306	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-2H+K"	36.948606
"1563006"	467.293306	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+K-2H"	36.948606
"948705"	475.342894	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-H+HCOOH"	44.998194
"370566"	905.687601	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+HCOOH-H"	44.998201
"350803"	919.703251	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+Hac-H"	59.013851
"1495262"	489.358551	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Hac-H"	59.013851
"966083"	497.324851	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-H+NaCOOH"	66.980151
"120094"	465.314102	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+2Cl"	69.938804
"564034"	680.486452	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+2Cl"	69.938804
"1035747"	250.141752	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2Cl"	69.938804
"1256059"	509.263585	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Br"	78.918885
"1319570"	511.319572	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Cl+HCOOH"	80.974872
"1333821"	533.301529	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Cl+NaCOOH"	102.956829
"925974"	543.330286	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M-H+CF3COOH"	112.985586
"1304025"	579.306964	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Cl+CF3COOH"	148.962264
"1377561"	395.332024	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+H-2H2O"	-35.012676
"1394693"	413.342	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+H-H2O"	-17.0027
"297663"	861.696676	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+H"	1.007276
"687530"	1292.041376	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+H"	1.007276
"1365337"	431.351976	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+H"	1.007276
"137496"	431.351976	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+2H"	2.014552
"578514"	646.524326	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+2H"	2.014552
"1045856"	216.179626	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2H"	2.014552
"213756"	287.903742666667	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+3H"	3.021828
"657692"	431.351976	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+3H"	3.021828
"1175457"	144.455509333333	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+3H"	3.021828
"436178"	878.723223	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+NH4"	18.033823
"797537"	1309.067923	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+NH4"	18.033823
"1694598"	448.378523	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+NH4"	18.033823
"343243"	439.8652495	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+H+NH4"	19.041099
"733842"	655.0375995	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+H+NH4"	19.041099
"1487660"	224.6928995	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+H+NH4"	19.041099
"401968"	883.678618	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+Na"	22.989218
"762962"	1314.023318	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+Na"	22.989218
"1612155"	453.333918	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Na"	22.989218
"322192"	442.342947	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+H+Na"	23.996494
"720814"	657.515297	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+H+Na"	23.996494
"1469529"	227.170597	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+H+Na"	23.996494
"1061681"	151.782823333333	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2H+Na"	25.00377
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"386309"	899.652558	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+K"	38.963158
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"1553250"	469.307858	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+K"	38.963158
"308724"	450.329917	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+H+K"	39.970434
"701145"	665.502267	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+H+K"	39.970434
"1453872"	235.157567	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+H+K"	39.970434
"245756"	902.723226	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+ACN+H"	42.033826
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"194127"	905.66056	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+2Na-H"	44.97116
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"175744"	453.333918	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+2Na"	45.978436
"616763"	668.506268	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+2Na"	45.978436
"1122456"	238.161568	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2Na"	45.978436
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"771788"	676.493238	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+Na+K"	61.952376
"1669947"	246.148538	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+Na+K"	61.952376
"260117"	924.705168	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+ACN+Na"	64.015768
"1231007"	494.360468	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+ACN+Na"	64.015768
"1722080"	494.383993	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+NH4+HCOOH"	64.039293
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"170751"	937.60844	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+2K-H"	76.91904
"611892"	1367.95314	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+2K-H"	76.91904
"1095918"	507.26374	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2K-H"	76.91904
"156624"	469.307858	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"2M+2K"	77.926316
"594240"	684.480208	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"3M+2K"	77.926316
"1078995"	254.135508	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2K"	77.926316
"1110018"	509.278292	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2K+H"	78.933592
"1343123"	509.365907	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+DMSO+H"	79.021207
"1018214"	513.405076	"C16253"	"(22R23R)-2223-Dihydroxy-campest-4-en-3-one"	"C28H46O3"	"430.3447"	"M+2ACN+H"	83.060376
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"815398"	897.1571	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M"	0
"986745"	878.13871	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-H2O-H"	-19.01839
"77175"	597.097457333333	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M-3H"	-3.021828
"517828"	896.149824	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M-3H"	-3.021828
"894414"	298.045090666667	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-3H"	-3.021828
"12017"	896.149824	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M-2H"	-2.014552
"449390"	1344.728374	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M-2H"	-2.014552
"832767"	447.571274	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-2H"	-2.014552
"89372"	1793.306924	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M-H"	-1.007276
"526753"	2690.464024	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M-H"	-1.007276
"905649"	896.149824	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-H"	-1.007276
"59544"	1810.333471	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M-2H+NH4"	16.019271
"499835"	2707.490571	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M-2H+NH4"	16.019271
"877637"	913.176371	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-2H+NH4"	16.019271
"44928"	1815.288866	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M-2H+Na"	20.974666
"486066"	2712.445966	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M-2H+Na"	20.974666
"863386"	918.131766	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-2H+Na"	20.974666
"1632555"	918.131766	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Na-2H"	20.974666
"109087"	914.138163	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M-H+Cl"	33.962126
"547797"	1362.716713	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M-H+Cl"	33.962126
"934141"	465.559613	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-H+Cl"	33.962126
"273792"	1829.283602	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+Cl"	34.969402
"668399"	2726.440702	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+Cl"	34.969402
"1282991"	932.126502	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Cl"	34.969402
"25551"	1831.262806	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M-2H+K"	36.948606
"458548"	2728.419906	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M-2H+K"	36.948606
"839630"	934.105706	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-2H+K"	36.948606
"1557649"	934.105706	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+K-2H"	36.948606
"948813"	942.155294	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-H+HCOOH"	44.998194
"365936"	1839.312401	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+HCOOH-H"	44.998201
"350914"	1853.328051	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+Hac-H"	59.013851
"1495371"	956.170951	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Hac-H"	59.013851
"962913"	964.137251	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-H+NaCOOH"	66.980151
"123849"	932.126502	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+2Cl"	69.938804
"563054"	1380.705052	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+2Cl"	69.938804
"1034764"	483.547952	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2Cl"	69.938804
"1256537"	976.075985	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Br"	78.918885
"1319351"	978.131972	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Cl+HCOOH"	80.974872
"1335271"	1000.113929	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Cl+NaCOOH"	102.956829
"926085"	1010.142686	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M-H+CF3COOH"	112.985586
"1303971"	1046.119364	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Cl+CF3COOH"	148.962264
"1379130"	862.144424	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H-2H2O"	-35.012676
"1395776"	880.1544	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H-H2O"	-17.0027
"292667"	1795.321476	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+H"	1.007276
"685090"	2692.478576	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+H"	1.007276
"1360345"	898.164376	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H"	1.007276
"136879"	898.164376	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+2H"	2.014552
"577533"	1346.742926	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+2H"	2.014552
"1048885"	449.585826	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2H"	2.014552
"217147"	599.112009333333	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+3H"	3.021828
"657439"	898.164376	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+3H"	3.021828
"1174836"	300.059642666667	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+3H"	3.021828
"435922"	1812.348023	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+NH4"	18.033823
"799106"	2709.505123	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+NH4"	18.033823
"1692157"	915.190923	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+NH4"	18.033823
"341529"	906.6776495	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+H+NH4"	19.041099
"730670"	1355.2561995	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+H+NH4"	19.041099
"1485584"	458.0990995	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H+NH4"	19.041099
"405359"	1817.303418	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+Na"	22.989218
"765260"	2714.460518	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+Na"	22.989218
"1616646"	920.146318	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Na"	22.989218
"327773"	909.155347	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+H+Na"	23.996494
"721533"	1357.733897	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+H+Na"	23.996494
"1470733"	460.576797	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H+Na"	23.996494
"1063978"	307.386956666667	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2H+Na"	25.00377
"1271898"	930.190586	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+CH3OH+H"	33.033486
"387516"	1833.277358	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+K"	38.963158
"746325"	2730.434458	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+K"	38.963158
"1547284"	936.120258	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+K"	38.963158
"309930"	917.142317	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+H+K"	39.970434
"702351"	1365.720867	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+H+K"	39.970434
"1455077"	468.563767	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H+K"	39.970434
"248784"	1836.348026	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+ACN+H"	42.033826
"1222588"	939.190926	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+ACN+H"	42.033826
"1201365"	470.099101	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+ACN+2H"	43.041102
"191686"	1839.28536	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+2Na-H"	44.97116
"638173"	2736.44246	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+2Na-H"	44.97116
"1142773"	942.12826	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2Na-H"	44.97116
"179501"	920.146318	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+2Na"	45.978436
"620153"	1368.724868	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+2Na"	45.978436
"1122566"	471.567768	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2Na"	45.978436
"1402810"	314.714270666667	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H+2Na"	46.985712
"1433832"	944.169846	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H+HCOOH"	47.012746
"223525"	925.17934	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+3H2O+2H"	56.04448
"1509766"	958.22189	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+IsoProp+H"	61.06479
"408966"	928.133288	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+Na+K"	61.952376
"773364"	1376.711838	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+Na+K"	61.952376
"1669700"	479.554738	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Na+K"	61.952376
"252933"	1858.329968	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+ACN+Na"	64.015768
"1234398"	961.172868	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+ACN+Na"	64.015768
"1720003"	961.196393	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+NH4+HCOOH"	64.039293
"1184263"	322.041584666667	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+3Na"	68.967654
"1660719"	966.151788	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Na+HCOOH"	68.994688
"169767"	1871.23324	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+2K-H"	76.91904
"610057"	2768.39034	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+2K-H"	76.91904
"1099885"	974.07614	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2K-H"	76.91904
"154913"	936.120258	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"2M+2K"	77.926316
"595689"	1384.698808	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"3M+2K"	77.926316
"1080201"	487.541708	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2K"	77.926316
"1110129"	976.090692	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2K+H"	78.933592
"1345421"	976.178307	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+DMSO+H"	79.021207
"1018324"	980.217476	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2ACN+H"	83.060376
"1533169"	981.211108	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+IsoProp+Na+H"	84.054008
"999615"	490.612376	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+2ACN+2H"	84.067652
"1597400"	982.125728	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+K+HCOOH"	84.968628
"1424152"	1012.157238	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+H+CF3COOH"	115.000138
"1153351"	511.125651	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+3ACN+2H"	125.094202
"1701811"	1029.183785	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+NH4+CF3COOH"	132.026685
"1642929"	1034.13918	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+Na+CF3COOH"	136.98208
"1586235"	1050.11312	"C16256"	"(E)-Cinnamoyl-CoA"	"C30H42N7O17P3S"	"897.1571"	"M+K+CF3COOH"	152.95602
"806760"	915.1676	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M"	0
"984667"	896.14921	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-H2O-H"	-19.01839
"78217"	609.104457333333	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M-3H"	-3.021828
"518345"	914.160324	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M-3H"	-3.021828
"893188"	304.048590666667	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-3H"	-3.021828
"12127"	914.160324	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M-2H"	-2.014552
"446219"	1371.744124	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M-2H"	-2.014552
"832570"	456.576524	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-2H"	-2.014552
"89482"	1829.327924	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M-H"	-1.007276
"533906"	2744.495524	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M-H"	-1.007276
"906852"	914.160324	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-H"	-1.007276
"60139"	1846.354471	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M-2H+NH4"	16.019271
"501282"	2761.522071	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M-2H+NH4"	16.019271
"878719"	931.186871	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-2H+NH4"	16.019271
"46824"	1851.309866	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M-2H+Na"	20.974666
"486789"	2766.477466	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M-2H+Na"	20.974666
"862762"	936.142266	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-2H+Na"	20.974666
"1632665"	936.142266	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Na-2H"	20.974666
"109398"	932.148663	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M-H+Cl"	33.962126
"547299"	1389.732463	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M-H+Cl"	33.962126
"935344"	474.564863	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-H+Cl"	33.962126
"276089"	1865.304602	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+Cl"	34.969402
"667416"	2780.472202	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+Cl"	34.969402
"1283101"	950.137002	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Cl"	34.969402
"23474"	1867.283806	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M-2H+K"	36.948606
"457564"	2782.451406	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M-2H+K"	36.948606
"838646"	952.116206	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-2H+K"	36.948606
"1556784"	952.116206	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+K-2H"	36.948606
"950016"	960.165794	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-H+HCOOH"	44.998194
"368231"	1875.333401	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+HCOOH-H"	44.998201
"351024"	1889.349051	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+Hac-H"	59.013851
"1495480"	974.181451	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Hac-H"	59.013851
"963023"	982.147751	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-H+NaCOOH"	66.980151
"122868"	950.137002	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+2Cl"	69.938804
"564260"	1407.720802	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+2Cl"	69.938804
"1034880"	492.553202	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2Cl"	69.938804
"1256651"	994.086485	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Br"	78.918885
"1319423"	996.142472	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Cl+HCOOH"	80.974872
"1335021"	1018.124429	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Cl+NaCOOH"	102.956829
"926924"	1028.153186	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M-H+CF3COOH"	112.985586
"1303878"	1064.129864	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Cl+CF3COOH"	148.962264
"1378146"	880.154924	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H-2H2O"	-35.012676
"1397831"	898.1649	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H-H2O"	-17.0027
"291685"	1831.342476	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+H"	1.007276
"685200"	2746.510076	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+H"	1.007276
"1361548"	916.174876	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H"	1.007276
"136259"	916.174876	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+2H"	2.014552
"578736"	1373.758676	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+2H"	2.014552
"1048995"	458.591076	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2H"	2.014552
"216529"	611.119009333333	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+3H"	3.021828
"657550"	916.174876	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+3H"	3.021828
"1174581"	306.063142666667	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+3H"	3.021828
"435304"	1848.369023	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+NH4"	18.033823
"797395"	2763.536623	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+NH4"	18.033823
"1687893"	933.201423	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+NH4"	18.033823
"342004"	924.6881495	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+H+NH4"	19.041099
"730780"	1382.2719495	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+H+NH4"	19.041099
"1488973"	467.1043495	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H+NH4"	19.041099
"403282"	1853.324418	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+Na"	22.989218
"767556"	2768.492018	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+Na"	22.989218
"1617846"	938.156818	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Na"	22.989218
"327883"	927.165847	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+H+Na"	23.996494
"721521"	1384.749647	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+H+Na"	23.996494
"1470843"	469.582047	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H+Na"	23.996494
"1060808"	313.390456666667	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2H+Na"	25.00377
"1267957"	948.201086	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+CH3OH+H"	33.033486
"386531"	1869.298358	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+K"	38.963158
"746434"	2784.465958	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+K"	38.963158
"1543382"	954.130758	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+K"	38.963158
"305665"	935.152817	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+H+K"	39.970434
"701366"	1392.736617	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+H+K"	39.970434
"1457372"	477.569017	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H+K"	39.970434
"247068"	1872.369026	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+ACN+H"	42.033826
"1221966"	957.201426	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+ACN+H"	42.033826
"1198195"	479.104351	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+ACN+2H"	43.041102
"195441"	1875.30636	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+2Na-H"	44.97116
"642658"	2790.47396	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+2Na-H"	44.97116
"1145800"	960.13876	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2Na-H"	44.97116
"179612"	938.156818	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+2Na"	45.978436
"623544"	1395.740618	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+2Na"	45.978436
"1119397"	480.573018	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2Na"	45.978436
"1408387"	320.717770666667	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H+2Na"	46.985712
"1436129"	962.180346	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H+HCOOH"	47.012746
"225823"	943.18984	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+3H2O+2H"	56.04448
"1510969"	976.23239	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+IsoProp+H"	61.06479
"409799"	946.143788	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+Na+K"	61.952376
"774203"	1403.727588	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+Na+K"	61.952376
"1667619"	488.559988	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Na+K"	61.952376
"252680"	1894.350968	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+ACN+Na"	64.015768
"1232320"	979.183368	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+ACN+Na"	64.015768
"1720112"	979.206893	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+NH4+HCOOH"	64.039293
"1187653"	328.045084666667	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+3Na"	68.967654
"1656453"	984.162288	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Na+HCOOH"	68.994688
"165503"	1907.25424	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+2K-H"	76.91904
"609803"	2822.42184	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+2K-H"	76.91904
"1099182"	992.08664	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2K-H"	76.91904
"155023"	954.130758	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"2M+2K"	77.926316
"593614"	1411.714558	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"3M+2K"	77.926316
"1078125"	496.546958	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2K"	77.926316
"1110241"	994.101192	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2K+H"	78.933592
"1345531"	994.188807	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+DMSO+H"	79.021207
"1020381"	998.227976	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2ACN+H"	83.060376
"1536559"	999.221608	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+IsoProp+Na+H"	84.054008
"997539"	499.617626	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+2ACN+2H"	84.067652
"1598604"	1000.136228	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+K+HCOOH"	84.968628
"1422076"	1030.167738	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+H+CF3COOH"	115.000138
"1151273"	520.130901	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+3ACN+2H"	125.094202
"1703014"	1047.194285	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+NH4+CF3COOH"	132.026685
"1645226"	1052.14968	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+Na+CF3COOH"	136.98208
"1586345"	1068.12362	"C16257"	"(R)-Phenyllactyl-CoA"	"C30H44N7O18P3S"	"915.1676"	"M+K+CF3COOH"	152.95602
"806870"	394.3083	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M"	0
"982591"	375.28991	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-H2O-H"	-19.01839
"77153"	261.864924	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M-3H"	-3.021828
"516955"	393.301024	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M-3H"	-3.021828
"891475"	130.428824	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-3H"	-3.021828
"12237"	393.301024	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M-2H"	-2.014552
"449610"	590.455174	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M-2H"	-2.014552
"830694"	196.146874	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-2H"	-2.014552
"89592"	787.609324	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M-H"	-1.007276
"531342"	1181.917624	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M-H"	-1.007276
"905869"	393.301024	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-H"	-1.007276
"60248"	804.635871	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M-2H+NH4"	16.019271
"500176"	1198.944171	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M-2H+NH4"	16.019271
"877612"	410.327571	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-2H+NH4"	16.019271
"45146"	809.591266	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M-2H+Na"	20.974666
"483975"	1203.899566	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M-2H+Na"	20.974666
"860684"	415.282966	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-2H+Na"	20.974666
"1632412"	415.282966	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Na-2H"	20.974666
"106755"	411.289363	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M-H+Cl"	33.962126
"544129"	608.443513	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M-H+Cl"	33.962126
"934361"	214.135213	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-H+Cl"	33.962126
"270731"	823.586002	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+Cl"	34.969402
"664246"	1217.894302	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+Cl"	34.969402
"1278837"	429.277702	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Cl"	34.969402
"23584"	825.565206	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M-2H+K"	36.948606
"458767"	1219.873506	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M-2H+K"	36.948606
"835476"	431.256906	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-2H+K"	36.948606
"1556164"	431.256906	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+K-2H"	36.948606
"944659"	439.306494	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-H+HCOOH"	44.998194
"367248"	833.614801	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+HCOOH-H"	44.998201
"351134"	847.630451	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+Hac-H"	59.013851
"1494132"	453.322151	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Hac-H"	59.013851
"963133"	461.288451	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-H+NaCOOH"	66.980151
"123343"	429.277702	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+2Cl"	69.938804
"564734"	626.431852	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+2Cl"	69.938804
"1035719"	232.123552	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2Cl"	69.938804
"1256762"	473.227185	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Br"	78.918885
"1319738"	475.283172	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Cl+HCOOH"	80.974872
"1335429"	497.265129	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Cl+NaCOOH"	102.956829
"926548"	507.293886	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M-H+CF3COOH"	112.985586
"1303744"	543.270564	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Cl+CF3COOH"	148.962264
"1378620"	359.295624	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H-2H2O"	-35.012676
"1397334"	377.3056	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H-H2O"	-17.0027
"292159"	789.623876	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+H"	1.007276
"685310"	1183.932176	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+H"	1.007276
"1365912"	395.315576	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H"	1.007276
"136004"	395.315576	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+2H"	2.014552
"579210"	592.469726	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+2H"	2.014552
"1049469"	198.161426	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2H"	2.014552
"217003"	263.879476	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+3H"	3.021828
"658024"	395.315576	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+3H"	3.021828
"1175055"	132.443376	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+3H"	3.021828
"436507"	806.650423	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+NH4"	18.033823
"797140"	1200.958723	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+NH4"	18.033823
"1688003"	412.342123	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+NH4"	18.033823
"342843"	403.8288495	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+H+NH4"	19.041099
"730890"	600.9829995	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+H+NH4"	19.041099
"1489083"	206.6746995	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H+NH4"	19.041099
"403392"	811.605818	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+Na"	22.989218
"767666"	1205.914118	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+Na"	22.989218
"1615769"	417.297518	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Na"	22.989218
"327993"	406.306547	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+H+Na"	23.996494
"720414"	603.460697	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+H+Na"	23.996494
"1470953"	209.152397	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H+Na"	23.996494
"1060918"	139.77069	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2H+Na"	25.00377
"1266974"	427.341786	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+CH3OH+H"	33.033486
"384455"	827.579758	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+K"	38.963158
"743263"	1221.888058	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+K"	38.963158
"1544221"	433.271458	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+K"	38.963158
"302858"	414.293517	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+H+K"	39.970434
"699289"	611.447667	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+H+K"	39.970434
"1454204"	217.139367	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H+K"	39.970434
"244991"	830.650426	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+ACN+H"	42.033826
"1219889"	436.342126	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+ACN+H"	42.033826
"1203772"	218.674701	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+ACN+2H"	43.041102
"197737"	833.58776	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+2Na-H"	44.97116
"640581"	1227.89606	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+2Na-H"	44.97116
"1142994"	439.27946	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2Na-H"	44.97116
"184097"	417.297518	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+2Na"	45.978436
"620376"	614.451668	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+2Na"	45.978436
"1117686"	220.143368	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2Na"	45.978436
"1400845"	147.098004	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H+2Na"	46.985712
"1435147"	441.321046	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H+HCOOH"	47.012746
"223747"	422.33054	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+3H2O+2H"	56.04448
"1516184"	455.37309	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+IsoProp+H"	61.06479
"408574"	425.284488	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+Na+K"	61.952376
"774679"	622.438638	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+Na+K"	61.952376
"1667365"	228.130338	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Na+K"	61.952376
"253155"	852.632368	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+ACN+Na"	64.015768
"1230243"	458.324068	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+ACN+Na"	64.015768
"1718035"	458.347593	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+NH4+HCOOH"	64.039293
"1188856"	154.425318	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+3Na"	68.967654
"1658750"	463.302988	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Na+HCOOH"	68.994688
"167800"	865.53564	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+2K-H"	76.91904
"611006"	1259.84394	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+2K-H"	76.91904
"1099410"	471.22734	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2K-H"	76.91904
"154769"	433.271458	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"2M+2K"	77.926316
"591537"	630.425608	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"3M+2K"	77.926316
"1079328"	236.117308	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2K"	77.926316
"1108162"	473.241892	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2K+H"	78.933592
"1345642"	473.329507	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+DMSO+H"	79.021207
"1018545"	477.368676	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2ACN+H"	83.060376
"1536669"	478.362308	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+IsoProp+Na+H"	84.054008
"1002022"	239.187976	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+2ACN+2H"	84.067652
"1600537"	479.276928	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+K+HCOOH"	84.968628
"1424373"	509.308438	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+H+CF3COOH"	115.000138
"1151383"	259.701251	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+3ACN+2H"	125.094202
"1700935"	526.334985	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+NH4+CF3COOH"	132.026685
"1645336"	531.29038	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+Na+CF3COOH"	136.98208
"1586455"	547.26432	"C16258"	"Petromyzonol;5alpha-Cholan-3alpha7alpha12alpha24-tetrol"	"C24H42O4"	"394.3083"	"M+K+CF3COOH"	152.95602
"813542"	474.2651	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M"	0
"982701"	455.24671	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-H2O-H"	-19.01839
"76412"	315.169457333333	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M-3H"	-3.021828
"514879"	473.257824	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M-3H"	-3.021828
"893772"	157.081090666667	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-3H"	-3.021828
"14413"	473.257824	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M-2H"	-2.014552
"449720"	710.390374	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M-2H"	-2.014552
"828617"	236.125274	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-2H"	-2.014552
"89702"	947.522924	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M-H"	-1.007276
"532303"	1421.788024	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M-H"	-1.007276
"905979"	473.257824	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-H"	-1.007276
"58902"	964.549471	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M-2H+NH4"	16.019271
"497372"	1438.814571	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M-2H+NH4"	16.019271
"875903"	490.284371	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-2H+NH4"	16.019271
"44897"	969.504866	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M-2H+Na"	20.974666
"485787"	1443.769966	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M-2H+Na"	20.974666
"862981"	495.239766	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-2H+Na"	20.974666
"1631430"	495.239766	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Na-2H"	20.974666
"106865"	491.246163	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M-H+Cl"	33.962126
"548613"	728.378713	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M-H+Cl"	33.962126
"935566"	254.113613	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-H+Cl"	33.962126
"274121"	983.499602	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+Cl"	34.969402
"667637"	1457.764702	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+Cl"	34.969402
"1280040"	509.234502	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Cl"	34.969402
"24786"	985.478806	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M-2H+K"	36.948606
"459970"	1459.743906	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M-2H+K"	36.948606
"833399"	511.213706	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-2H+K"	36.948606
"1557246"	511.213706	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+K-2H"	36.948606
"943676"	519.263294	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-H+HCOOH"	44.998194
"364078"	993.528401	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+HCOOH-H"	44.998201
"350150"	1007.544051	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+Hac-H"	59.013851
"1494606"	533.278951	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Hac-H"	59.013851
"962148"	541.245251	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-H+NaCOOH"	66.980151
"118711"	509.234502	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+2Cl"	69.938804
"564470"	746.367052	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+2Cl"	69.938804
"1032540"	272.101952	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2Cl"	69.938804
"1255773"	553.183985	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Br"	78.918885
"1319440"	555.239972	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Cl+HCOOH"	80.974872
"1333898"	577.221929	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Cl+NaCOOH"	102.956829
"926048"	587.250686	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M-H+CF3COOH"	112.985586
"1303486"	623.227364	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Cl+CF3COOH"	148.962264
"1378003"	439.252424	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H-2H2O"	-35.012676
"1397323"	457.2624	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H-H2O"	-17.0027
"297009"	949.537476	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+H"	1.007276
"683233"	1423.802576	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+H"	1.007276
"1363227"	475.272376	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H"	1.007276
"133927"	475.272376	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+2H"	2.014552
"578957"	712.404926	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+2H"	2.014552
"1049215"	238.139826	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2H"	2.014552
"216020"	317.184009333333	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+3H"	3.021828
"657408"	475.272376	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+3H"	3.021828
"1176261"	159.095642666667	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+3H"	3.021828
"436254"	966.564023	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+NH4"	18.033823
"795064"	1440.829123	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+NH4"	18.033823
"1688113"	492.298923	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+NH4"	18.033823
"339308"	483.7856495	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+H+NH4"	19.041099
"731000"	720.9181995	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+H+NH4"	19.041099
"1485549"	246.6530995	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H+NH4"	19.041099
"403136"	971.519418	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+Na"	22.989218
"764496"	1445.784518	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+Na"	22.989218
"1611504"	497.254318	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Na"	22.989218
"321542"	486.263347	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+H+Na"	23.996494
"713962"	723.395897	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+H+Na"	23.996494
"1468875"	249.130797	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H+Na"	23.996494
"1058840"	166.422956666667	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2H+Na"	25.00377
"1261616"	507.298586	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+CH3OH+H"	33.033486
"380556"	987.493358	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+K"	38.963158
"742281"	1461.758458	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+K"	38.963158
"1541416"	513.228258	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+K"	38.963158
"305885"	494.250317	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+H+K"	39.970434
"700494"	731.382867	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+H+K"	39.970434
"1457595"	257.117767	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H+K"	39.970434
"244008"	990.564026	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+ACN+H"	42.033826
"1221093"	516.298926	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+ACN+H"	42.033826
"1203885"	258.653101	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+ACN+2H"	43.041102
"200036"	993.50136	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+2Na-H"	44.97116
"639598"	1467.76646	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+2Na-H"	44.97116
"1140918"	519.23626	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2Na-H"	44.97116
"180927"	497.254318	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+2Na"	45.978436
"620486"	734.386868	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+2Na"	45.978436
"1117432"	260.121768	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2Na"	45.978436
"1403142"	173.750270666667	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H+2Na"	46.985712
"1437444"	521.277846	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H+HCOOH"	47.012746
"223857"	502.28734	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+3H2O+2H"	56.04448
"1516294"	535.32989	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+IsoProp+H"	61.06479
"408850"	505.241288	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+Na+K"	61.952376
"776976"	742.373838	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+Na+K"	61.952376
"1668570"	268.108738	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Na+K"	61.952376
"255088"	1012.545968	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+ACN+Na"	64.015768
"1230353"	538.280868	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+ACN+Na"	64.015768
"1721425"	538.304393	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+NH4+HCOOH"	64.039293
"1186779"	181.077584666667	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+3Na"	68.967654
"1663234"	543.259788	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Na+HCOOH"	68.994688
"165723"	1025.44924	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+2K-H"	76.91904
"610387"	1499.71434	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+2K-H"	76.91904
"1097332"	551.18414	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2K-H"	76.91904
"149898"	513.228258	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"2M+2K"	77.926316
"589460"	750.360808	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"3M+2K"	77.926316
"1073970"	276.095708	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2K"	77.926316
"1107179"	553.198692	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2K+H"	78.933592
"1344659"	553.286307	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+DMSO+H"	79.021207
"1014280"	557.325476	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2ACN+H"	83.060376
"1535685"	558.319108	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+IsoProp+Na+H"	84.054008
"998851"	279.166376	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+2ACN+2H"	84.067652
"1599917"	559.233728	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+K+HCOOH"	84.968628
"1426670"	589.265238	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+H+CF3COOH"	115.000138
"1152586"	299.679651	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+3ACN+2H"	125.094202
"1702137"	606.291785	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+NH4+CF3COOH"	132.026685
"1642166"	611.24718	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+Na+CF3COOH"	136.98208
"1586565"	627.22112	"C16259"	"Petromyzonol 24-sulfate;5alpha-Cholan-3alpha7alpha12alpha-triol 24-sulfate"	"C24H42O7S"	"474.2651"	"M+K+CF3COOH"	152.95602
"807090"	468.3451	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M"	0
"982811"	449.32671	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-H2O-H"	-19.01839
"77615"	311.222790666667	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M-3H"	-3.021828
"518268"	467.337824	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M-3H"	-3.021828
"892789"	155.107757333333	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-3H"	-3.021828
"14402"	467.337824	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M-2H"	-2.014552
"449830"	701.510374	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M-2H"	-2.014552
"828727"	233.165274	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-2H"	-2.014552
"83251"	935.682924	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M-H"	-1.007276
"533144"	1404.028024	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M-H"	-1.007276
"909362"	467.337824	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-H"	-1.007276
"54996"	952.709471	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M-2H+NH4"	16.019271
"500024"	1421.054571	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M-2H+NH4"	16.019271
"877101"	484.364371	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-2H+NH4"	16.019271
"44521"	957.664866	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M-2H+Na"	20.974666
"483102"	1426.009966	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M-2H+Na"	20.974666
"858717"	489.319766	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-2H+Na"	20.974666
"1631537"	489.319766	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Na-2H"	20.974666
"107701"	485.326163	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M-H+Cl"	33.962126
"542161"	719.498713	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M-H+Cl"	33.962126
"937862"	251.153613	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-H+Cl"	33.962126
"278605"	971.659602	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+Cl"	34.969402
"672847"	1440.004702	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+Cl"	34.969402
"1284519"	503.314502	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Cl"	34.969402
"27812"	973.638806	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M-2H+K"	36.948606
"461173"	1441.983906	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M-2H+K"	36.948606
"835696"	505.293706	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-2H+K"	36.948606
"1556506"	505.293706	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+K-2H"	36.948606
"947063"	513.343294	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-H+HCOOH"	44.998194
"365278"	981.688401	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+HCOOH-H"	44.998201
"349166"	995.704051	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+Hac-H"	59.013851
"1495080"	527.358951	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Hac-H"	59.013851
"963350"	535.325251	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-H+NaCOOH"	66.980151
"117728"	503.314502	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+2Cl"	69.938804
"563490"	737.487052	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+2Cl"	69.938804
"1034840"	269.141952	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2Cl"	69.938804
"1255516"	547.263985	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Br"	78.918885
"1317963"	549.319972	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Cl+HCOOH"	80.974872
"1334377"	571.301929	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Cl+NaCOOH"	102.956829
"926283"	581.330686	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M-H+CF3COOH"	112.985586
"1303841"	617.307364	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Cl+CF3COOH"	148.962264
"1381393"	433.332424	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H-2H2O"	-35.012676
"1397921"	451.3424	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H-H2O"	-17.0027
"297850"	937.697476	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+H"	1.007276
"685895"	1406.042576	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+H"	1.007276
"1360420"	469.352376	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H"	1.007276
"135495"	469.352376	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+2H"	2.014552
"576880"	703.524926	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+2H"	2.014552
"1048230"	235.179826	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2H"	2.014552
"216863"	313.237342666667	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+3H"	3.021828
"656063"	469.352376	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+3H"	3.021828
"1175887"	157.122309333333	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+3H"	3.021828
"436730"	954.724023	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+NH4"	18.033823
"795902"	1423.069123	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+NH4"	18.033823
"1691140"	486.378923	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+NH4"	18.033823
"341606"	477.8656495	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+H+NH4"	19.041099
"731111"	712.0381995	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+H+NH4"	19.041099
"1482744"	243.6930995	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H+NH4"	19.041099
"407258"	959.679418	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+Na"	22.989218
"767157"	1428.024518	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+Na"	22.989218
"1613801"	491.334318	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Na"	22.989218
"321652"	480.343347	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+H+Na"	23.996494
"716259"	714.515897	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+H+Na"	23.996494
"1471172"	246.170797	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H+Na"	23.996494
"1060045"	164.449623333333	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2H+Na"	25.00377
"1263914"	501.378586	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+CH3OH+H"	33.033486
"385770"	975.653358	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+K"	38.963158
"743485"	1443.998458	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+K"	38.963158
"1546632"	507.308258	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+K"	38.963158
"309275"	488.330317	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+H+K"	39.970434
"703521"	722.502867	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+H+K"	39.970434
"1455521"	254.157767	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H+K"	39.970434
"247401"	978.724026	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+ACN+H"	42.033826
"1221204"	510.378926	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+ACN+H"	42.033826
"1205088"	255.693101	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+ACN+2H"	43.041102
"199783"	981.66136	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+2Na-H"	44.97116
"634241"	1450.00646	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+2Na-H"	44.97116
"1142121"	513.31626	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2Na-H"	44.97116
"182131"	491.334318	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+2Na"	45.978436
"621691"	725.506868	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+2Na"	45.978436
"1119730"	257.161768	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2Na"	45.978436
"1405439"	171.776937333333	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H+2Na"	46.985712
"1439740"	515.357846	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H+HCOOH"	47.012746
"226154"	496.36734	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+3H2O+2H"	56.04448
"1519684"	529.40989	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+IsoProp+H"	61.06479
"416092"	499.321288	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+Na+K"	61.952376
"779274"	733.493838	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+Na+K"	61.952376
"1670139"	265.148738	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Na+K"	61.952376
"255565"	1000.705968	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+ACN+Na"	64.015768
"1232650"	532.360868	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+ACN+Na"	64.015768
"1718256"	532.384393	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+NH4+HCOOH"	64.039293
"1186889"	179.104251333333	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+3Na"	68.967654
"1664437"	537.339788	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Na+HCOOH"	68.994688
"168019"	1013.60924	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+2K-H"	76.91904
"606486"	1481.95434	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+2K-H"	76.91904
"1095376"	545.26414	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2K-H"	76.91904
"155354"	507.308258	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"2M+2K"	77.926316
"595037"	741.480808	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"3M+2K"	77.926316
"1075175"	273.135708	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2K"	77.926316
"1110569"	547.278692	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2K+H"	78.933592
"1348778"	547.366307	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+DMSO+H"	79.021207
"1015483"	551.405476	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2ACN+H"	83.060376
"1534702"	552.399108	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+IsoProp+Na+H"	84.054008
"1002243"	276.206376	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+2ACN+2H"	84.067652
"1600028"	553.313728	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+K+HCOOH"	84.968628
"1424594"	583.345238	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+H+CF3COOH"	115.000138
"1151602"	296.719651	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+3ACN+2H"	125.094202
"1700060"	600.371785	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+NH4+CF3COOH"	132.026685
"1642276"	605.32718	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+Na+CF3COOH"	136.98208
"1586675"	621.30112	"C16260"	"Scymnol;5beta-Scymnol;5beta-Cholestane-3alpha7alpha12alpha242627-hexol"	"C27H48O6"	"468.3451"	"M+K+CF3COOH"	152.95602
"807200"	548.3019	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M"	0
"986200"	529.28351	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-H2O-H"	-19.01839
"78296"	364.527324	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M-3H"	-3.021828
"518097"	547.294624	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M-3H"	-3.021828
"893992"	181.760024	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-3H"	-3.021828
"9287"	547.294624	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M-2H"	-2.014552
"449940"	821.445574	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M-2H"	-2.014552
"828837"	273.143674	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-2H"	-2.014552
"84454"	1095.596524	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M-H"	-1.007276
"534186"	1643.898424	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M-H"	-1.007276
"909230"	547.294624	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-H"	-1.007276
"61785"	1112.623071	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M-2H+NH4"	16.019271
"500134"	1660.924971	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M-2H+NH4"	16.019271
"879030"	564.321171	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-2H+NH4"	16.019271
"43651"	1117.578466	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M-2H+Na"	20.974666
"484305"	1665.880366	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M-2H+Na"	20.974666
"857734"	569.276566	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-2H+Na"	20.974666
"1632740"	569.276566	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Na-2H"	20.974666
"108174"	565.282963	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M-H+Cl"	33.962126
"543365"	839.433913	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M-H+Cl"	33.962126
"936879"	291.132013	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-H+Cl"	33.962126
"275432"	1131.573202	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+Cl"	34.969402
"673322"	1679.875102	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+Cl"	34.969402
"1286087"	583.271302	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Cl"	34.969402
"27194"	1133.552406	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M-2H+K"	36.948606
"462376"	1681.854306	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M-2H+K"	36.948606
"837992"	585.250506	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-2H+K"	36.948606
"1557103"	585.250506	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+K-2H"	36.948606
"947173"	593.300094	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-H+HCOOH"	44.998194
"366481"	1141.602001	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+HCOOH-H"	44.998201
"351462"	1155.617651	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+Hac-H"	59.013851
"1498470"	607.315751	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Hac-H"	59.013851
"963460"	615.282051	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-H+NaCOOH"	66.980151
"120024"	583.271302	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+2Cl"	69.938804
"561773"	857.422252	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+2Cl"	69.938804
"1032758"	309.120352	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2Cl"	69.938804
"1252337"	627.220785	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Br"	78.918885
"1318073"	629.276772	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Cl+HCOOH"	80.974872
"1333759"	651.258729	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Cl+NaCOOH"	102.956829
"925545"	661.287486	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M-H+CF3COOH"	112.985586
"1303949"	697.264164	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Cl+CF3COOH"	148.962264
"1381872"	513.289224	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H-2H2O"	-35.012676
"1397543"	531.2992	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H-H2O"	-17.0027
"296500"	1097.611076	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+H"	1.007276
"690015"	1645.912976	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+H"	1.007276
"1358707"	549.309176	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H"	1.007276
"135605"	549.309176	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+2H"	2.014552
"578811"	823.460126	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+2H"	2.014552
"1049069"	275.158226	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2H"	2.014552
"212960"	366.541876	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+3H"	3.021828
"658116"	549.309176	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+3H"	3.021828
"1176969"	183.774576	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+3H"	3.021828
"438296"	1114.637623	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+NH4"	18.033823
"797469"	1662.939523	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+NH4"	18.033823
"1692343"	566.335723	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+NH4"	18.033823
"342809"	557.8224495	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+H+NH4"	19.041099
"731221"	831.9733995	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+H+NH4"	19.041099
"1482854"	283.6714995	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H+NH4"	19.041099
"407367"	1119.593018	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+Na"	22.989218
"768848"	1667.894918	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+Na"	22.989218
"1616948"	571.291118	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Na"	22.989218
"326134"	560.300147	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+H+Na"	23.996494
"716368"	834.451097	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+H+Na"	23.996494
"1472375"	286.149197	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H+Na"	23.996494
"1064527"	191.10189	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2H+Na"	25.00377
"1267302"	581.335386	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+CH3OH+H"	33.033486
"384784"	1135.566958	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+K"	38.963158
"746872"	1683.868858	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+K"	38.963158
"1547831"	587.265058	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+K"	38.963158
"309385"	568.287117	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+H+K"	39.970434
"702902"	842.438067	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+H+K"	39.970434
"1456724"	294.136167	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H+K"	39.970434
"247512"	1138.637626	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+ACN+H"	42.033826
"1222775"	590.335726	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+ACN+H"	42.033826
"1205198"	295.671501	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+ACN+2H"	43.041102
"200985"	1141.57496	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+2Na-H"	44.97116
"629247"	1689.87686	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+2Na-H"	44.97116
"1142596"	593.27306	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2Na-H"	44.97116
"182241"	571.291118	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+2Na"	45.978436
"622894"	845.442068	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+2Na"	45.978436
"1120933"	297.140168	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2Na"	45.978436
"1404455"	198.429204	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H+2Na"	46.985712
"1439850"	595.314646	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H+HCOOH"	47.012746
"226264"	576.32414	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+3H2O+2H"	56.04448
"1519794"	609.36669	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+IsoProp+H"	61.06479
"417296"	579.278088	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+Na+K"	61.952376
"779384"	853.429038	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+Na+K"	61.952376
"1669155"	305.127138	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Na+K"	61.952376
"256768"	1160.619568	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+ACN+Na"	64.015768
"1229478"	612.317668	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+ACN+Na"	64.015768
"1720552"	612.341193	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+NH4+HCOOH"	64.039293
"1186999"	205.756518	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+3Na"	68.967654
"1663454"	617.296588	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Na+HCOOH"	68.994688
"167033"	1173.52284	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+2K-H"	76.91904
"601127"	1721.82474	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+2K-H"	76.91904
"1094390"	625.22094	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2K-H"	76.91904
"155461"	587.265058	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"2M+2K"	77.926316
"592958"	861.416008	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"3M+2K"	77.926316
"1077471"	313.114108	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2K"	77.926316
"1108494"	627.235492	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2K+H"	78.933592
"1348158"	627.323107	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+DMSO+H"	79.021207
"1015593"	631.362276	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2ACN+H"	83.060376
"1531531"	632.355908	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+IsoProp+Na+H"	84.054008
"997980"	316.184776	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+2ACN+2H"	84.067652
"1599044"	633.270528	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+K+HCOOH"	84.968628
"1425796"	663.302038	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+H+CF3COOH"	115.000138
"1149526"	336.698051	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+3ACN+2H"	125.094202
"1699077"	680.328585	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+NH4+CF3COOH"	132.026685
"1642386"	685.28398	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+Na+CF3COOH"	136.98208
"1586785"	701.25792	"C16261"	"5beta-Scymnol sulfate"	"C27H48O9S"	"548.3019"	"M+K+CF3COOH"	152.95602
"816711"	214.063	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M"	0
"985218"	195.04461	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"76741"	141.701390666667	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"517035"	213.055724	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"895080"	70.3470573333333	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"15233"	213.055724	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"455119"	320.087224	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"827854"	106.024224	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"91126"	427.118724	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"533932"	641.181724	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"910721"	213.055724	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"62818"	444.145271	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"500244"	658.208271	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"877926"	230.082271	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"44854"	449.100666	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"483322"	663.163666	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"858937"	235.037666	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1633215"	235.037666	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"108285"	231.044063	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"546392"	338.075563	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"940271"	124.012563	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"281257"	463.095402	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"673801"	677.158402	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1286927"	249.032402	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"27304"	465.074606	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"460300"	679.137606	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"838103"	251.011606	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1560495"	251.011606	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"947285"	259.061194	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"367686"	473.124201	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"350479"	487.139851	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1497125"	273.076851	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"963934"	281.043151	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"116854"	249.032402	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"561882"	356.063902	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1032868"	142.000902	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1252447"	292.981885	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1317091"	295.037872	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1335478"	317.019829	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"926826"	327.048586	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1304021"	363.025264	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1382688"	179.050324	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1398336"	197.0603	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"298469"	429.133276	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"690817"	643.196276	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1362097"	215.070276	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H"	1.007276
"136809"	215.070276	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"577827"	322.101776	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1048815"	108.038776	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"213434"	143.715942666667	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"657984"	215.070276	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1175867"	72.3616093333333	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"438285"	446.159823	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"798674"	660.222823	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1691725"	232.096823	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"344013"	223.5835495	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"734247"	330.6150495	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1489523"	116.5520495	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"406383"	451.115218	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"769860"	665.178218	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1616208"	237.052218	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"328432"	226.061247	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"718669"	333.092747	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1471395"	119.029747	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1064640"	79.6889233333333	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1269600"	247.096486	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"385986"	467.089158	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"744798"	681.152158	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1549037"	253.026158	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+K"	38.963158
"306214"	234.048217	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"700823"	341.079717	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1457925"	127.016717	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"247620"	470.159826	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1222519"	256.096826	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1206399"	128.552051	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"197085"	473.09716	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"634460"	687.16016	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1140154"	259.03416	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"180163"	237.052218	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"623004"	344.083718	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1121043"	130.020718	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1406754"	87.0162373333333	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1442148"	261.075746	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"232938"	242.08524	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1522700"	275.12779	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"422147"	245.039188	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"783145"	352.070688	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1669266"	138.007688	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"255787"	492.141768	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1230681"	278.078768	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1720662"	278.102293	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1187109"	94.3435513333333	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1662470"	283.057688	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"168241"	505.04504	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"611082"	719.10804	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1098150"	290.98204	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"152415"	253.026158	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"593068"	360.057658	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1077583"	145.994658	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1105324"	292.996592	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1341709"	293.084207	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1015705"	297.123376	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1534921"	298.117008	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"1000277"	149.065326	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1595874"	299.031628	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1421533"	329.063138	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1152917"	169.578601	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1698461"	346.089685	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1642496"	351.04508	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1586895"	367.01902	"C16262"	"1-Hydro-11a-dihydroxy-9-fluorenone"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"816659"	230.0579	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M"	0
"984234"	211.03951	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-H2O-H"	-19.01839
"76487"	152.364657333333	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M-3H"	-3.021828
"518240"	229.050624	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M-3H"	-3.021828
"893851"	75.6786906666667	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-3H"	-3.021828
"11694"	229.050624	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M-2H"	-2.014552
"454902"	344.079574	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M-2H"	-2.014552
"827964"	114.021674	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-2H"	-2.014552
"91236"	459.108524	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M-H"	-1.007276
"533555"	689.166424	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M-H"	-1.007276
"910910"	229.050624	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-H"	-1.007276
"62785"	476.135071	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M-2H+NH4"	16.019271
"500597"	706.192971	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M-2H+NH4"	16.019271
"870864"	246.077171	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-2H+NH4"	16.019271
"37306"	481.090466	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M-2H+Na"	20.974666
"485618"	711.148366	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M-2H+Na"	20.974666
"861233"	251.032566	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-2H+Na"	20.974666
"1633568"	251.032566	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Na-2H"	20.974666
"109531"	247.038963	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M-H+Cl"	33.962126
"547964"	362.067913	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M-H+Cl"	33.962126
"941843"	132.010013	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-H+Cl"	33.962126
"281129"	495.085202	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+Cl"	34.969402
"674396"	725.143102	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+Cl"	34.969402
"1287766"	265.027302	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Cl"	34.969402
"21943"	497.064406	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M-2H+K"	36.948606
"460410"	727.122306	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M-2H+K"	36.948606
"839307"	267.006506	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-2H+K"	36.948606
"1559513"	267.006506	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+K-2H"	36.948606
"950677"	275.056094	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-H+HCOOH"	44.998194
"367798"	505.114001	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+HCOOH-H"	44.998201
"350952"	519.129651	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+Hac-H"	59.013851
"1498327"	289.071751	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Hac-H"	59.013851
"964045"	297.038051	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-H+NaCOOH"	66.980151
"120244"	265.027302	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+2Cl"	69.938804
"561993"	380.056252	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+2Cl"	69.938804
"1034072"	149.998352	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2Cl"	69.938804
"1252557"	308.976785	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Br"	78.918885
"1318294"	311.032772	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Cl+HCOOH"	80.974872
"1335069"	333.014729	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Cl+NaCOOH"	102.956829
"925769"	343.043486	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M-H+CF3COOH"	112.985586
"1303448"	379.020164	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Cl+CF3COOH"	148.962264
"1381851"	195.045224	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H-2H2O"	-35.012676
"1395579"	213.0552	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H-H2O"	-17.0027
"297817"	461.123076	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+H"	1.007276
"690968"	691.180976	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+H"	1.007276
"1364396"	231.065176	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H"	1.007276
"134004"	231.065176	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+2H"	2.014552
"579398"	346.094126	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+2H"	2.014552
"1049656"	116.036226	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2H"	2.014552
"216827"	154.379209333333	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+3H"	3.021828
"657851"	231.065176	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+3H"	3.021828
"1176340"	77.6932426666667	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+3H"	3.021828
"436694"	478.149623	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+NH4"	18.033823
"797692"	708.207523	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+NH4"	18.033823
"1696210"	248.091723	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+NH4"	18.033823
"345100"	239.5784495	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+H+NH4"	19.041099
"738089"	354.6073995	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+H+NH4"	19.041099
"1492639"	124.5494995	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H+NH4"	19.041099
"408476"	483.105018	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+Na"	22.989218
"769842"	713.162918	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+Na"	22.989218
"1618308"	253.047118	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Na"	22.989218
"329519"	242.056147	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+H+Na"	23.996494
"720965"	357.085097	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+H+Na"	23.996494
"1473694"	127.027197	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H+Na"	23.996494
"1067911"	85.0205566666667	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2H+Na"	25.00377
"1270804"	263.091386	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+CH3OH+H"	33.033486
"391570"	499.078958	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+K"	38.963158
"751471"	729.136858	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+K"	38.963158
"1553890"	269.021058	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+K"	38.963158
"309607"	250.043117	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+H+K"	39.970434
"699842"	365.072067	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+H+K"	39.970434
"1460588"	135.014167	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H+K"	39.970434
"248825"	502.149626	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+ACN+H"	42.033826
"1222627"	272.091726	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+ACN+H"	42.033826
"1206513"	136.549501	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+ACN+2H"	43.041102
"193917"	505.08696	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+2Na-H"	44.97116
"634570"	735.14486	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+2Na-H"	44.97116
"1141358"	275.02906	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2Na-H"	44.97116
"184285"	253.047118	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+2Na"	45.978436
"623114"	368.076068	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+2Na"	45.978436
"1122248"	138.018168	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2Na"	45.978436
"1409051"	92.3478706666667	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H+2Na"	46.985712
"1442989"	277.070646	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H+HCOOH"	47.012746
"234509"	258.08014	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+3H2O+2H"	56.04448
"1524004"	291.12269	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+IsoProp+H"	61.06479
"422990"	261.034088	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+Na+K"	61.952376
"783254"	376.063038	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+Na+K"	61.952376
"1676668"	146.005138	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Na+K"	61.952376
"261365"	524.131568	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+ACN+Na"	64.015768
"1238084"	294.073668	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+ACN+Na"	64.015768
"1727333"	294.097193	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+NH4+HCOOH"	64.039293
"1193780"	99.6751846666667	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+3Na"	68.967654
"1663673"	299.052588	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Na+HCOOH"	68.994688
"169444"	537.03484	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+2K-H"	76.91904
"611559"	767.09274	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+2K-H"	76.91904
"1099722"	306.97694	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2K-H"	76.91904
"156779"	269.021058	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"2M+2K"	77.926316
"593177"	384.050008	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"3M+2K"	77.926316
"1082917"	153.992108	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2K"	77.926316
"1115239"	308.991492	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2K+H"	78.933592
"1345099"	309.079107	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+DMSO+H"	79.021207
"1020684"	313.118276	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2ACN+H"	83.060376
"1533938"	314.111908	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+IsoProp+Na+H"	84.054008
"1003668"	157.062776	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+2ACN+2H"	84.067652
"1595984"	315.026528	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+K+HCOOH"	84.968628
"1422736"	345.058038	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+H+CF3COOH"	115.000138
"1153027"	177.576051	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+3ACN+2H"	125.094202
"1699300"	362.084585	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+NH4+CF3COOH"	132.026685
"1640419"	367.03998	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+Na+CF3COOH"	136.98208
"1587005"	383.01392	"C16263"	"23-Dihydroxy-2-carboxybiphenyl"	"C13H10O4"	"230.0579"	"M+K+CF3COOH"	152.95602
"814094"	262.0477	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M"	0
"983251"	243.02931	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-H2O-H"	-19.01839
"75869"	173.691190666667	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M-3H"	-3.021828
"516887"	261.040424	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M-3H"	-3.021828
"892136"	86.3419573333333	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-3H"	-3.021828
"9617"	261.040424	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M-2H"	-2.014552
"454283"	392.064274	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M-2H"	-2.014552
"828073"	130.016574	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-2H"	-2.014552
"90253"	523.088124	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M-H"	-1.007276
"533340"	785.135824	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M-H"	-1.007276
"908709"	261.040424	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-H"	-1.007276
"60898"	540.114671	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M-2H+NH4"	16.019271
"489528"	802.162371	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M-2H+NH4"	16.019271
"867329"	278.066971	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-2H+NH4"	16.019271
"35229"	545.070066	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M-2H+Na"	20.974666
"475885"	807.117766	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M-2H+Na"	20.974666
"859156"	283.022366	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-2H+Na"	20.974666
"1632708"	283.022366	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Na-2H"	20.974666
"108752"	279.028763	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M-H+Cl"	33.962126
"549165"	410.052613	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M-H+Cl"	33.962126
"942315"	148.004913	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-H+Cl"	33.962126
"281236"	559.064802	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+Cl"	34.969402
"674748"	821.112502	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+Cl"	34.969402
"1287146"	297.017102	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Cl"	34.969402
"23146"	561.044006	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M-2H+K"	36.948606
"459426"	823.091706	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M-2H+K"	36.948606
"838321"	298.996306	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-2H+K"	36.948606
"1560715"	298.996306	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+K-2H"	36.948606
"949693"	307.045894	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-H+HCOOH"	44.998194
"367909"	569.093601	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+HCOOH-H"	44.998201
"350333"	583.109251	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+Hac-H"	59.013851
"1498800"	321.061551	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Hac-H"	59.013851
"965978"	329.027851	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-H+NaCOOH"	66.980151
"115979"	297.017102	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+2Cl"	69.938804
"559915"	428.040952	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+2Cl"	69.938804
"1031995"	165.993252	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2Cl"	69.938804
"1252667"	340.966585	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Br"	78.918885
"1312929"	343.022572	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Cl+HCOOH"	80.974872
"1334805"	365.004529	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Cl+NaCOOH"	102.956829
"926353"	375.033286	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M-H+CF3COOH"	112.985586
"1303875"	411.009964	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Cl+CF3COOH"	148.962264
"1382723"	227.035024	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H-2H2O"	-35.012676
"1397757"	245.045	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H-H2O"	-17.0027
"298412"	525.102676	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+H"	1.007276
"690952"	787.150376	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+H"	1.007276
"1361951"	263.054976	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H"	1.007276
"133748"	263.054976	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+2H"	2.014552
"574401"	394.078826	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+2H"	2.014552
"1049399"	132.031126	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2H"	2.014552
"218030"	175.705742666667	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+3H"	3.021828
"657959"	263.054976	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+3H"	3.021828
"1175720"	88.3565093333333	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+3H"	3.021828
"436805"	542.129223	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+NH4"	18.033823
"795613"	804.176923	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+NH4"	18.033823
"1688663"	280.081523	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+NH4"	18.033823
"338035"	271.5682495	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+H+NH4"	19.041099
"733736"	402.5920995	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+H+NH4"	19.041099
"1486464"	140.5443995	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H+NH4"	19.041099
"407333"	547.084618	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+Na"	22.989218
"769637"	809.132318	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+Na"	22.989218
"1610959"	285.036918	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Na"	22.989218
"328409"	274.045947	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+H+Na"	23.996494
"715606"	405.069797	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+H+Na"	23.996494
"1471613"	143.022097	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H+Na"	23.996494
"1067775"	95.6838233333333	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2H+Na"	25.00377
"1266537"	295.081186	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+CH3OH+H"	33.033486
"390583"	563.058558	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+K"	38.963158
"751580"	825.106258	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+K"	38.963158
"1554727"	301.010858	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+K"	38.963158
"311903"	282.032917	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+H+K"	39.970434
"706152"	413.056767	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+H+K"	39.970434
"1460211"	151.009067	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H+K"	39.970434
"246749"	566.129226	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+ACN+H"	42.033826
"1220552"	304.081526	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+ACN+H"	42.033826
"1202250"	152.544401	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+ACN+2H"	43.041102
"190747"	569.06656	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+2Na-H"	44.97116
"631399"	831.11426	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+2Na-H"	44.97116
"1134906"	307.01886	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2Na-H"	44.97116
"180383"	285.036918	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+2Na"	45.978436
"621035"	416.060768	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+2Na"	45.978436
"1123451"	154.013068	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2Na"	45.978436
"1410254"	103.011137333333	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H+2Na"	46.985712
"1440182"	309.060446	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H+HCOOH"	47.012746
"232064"	290.06994	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+3H2O+2H"	56.04448
"1523041"	323.11249	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+IsoProp+H"	61.06479
"421999"	293.023888	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+Na+K"	61.952376
"782995"	424.047738	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+Na+K"	61.952376
"1677142"	162.000038	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Na+K"	61.952376
"261475"	588.111168	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+ACN+Na"	64.015768
"1236370"	326.063468	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+ACN+Na"	64.015768
"1721975"	326.086993	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+NH4+HCOOH"	64.039293
"1190609"	110.338451333333	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+3Na"	68.967654
"1662690"	331.042388	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Na+HCOOH"	68.994688
"168459"	601.01444	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+2K-H"	76.91904
"610209"	863.06214	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+2K-H"	76.91904
"1099507"	338.96674	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2K-H"	76.91904
"155912"	301.010858	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"2M+2K"	77.926316
"595473"	432.034708	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"3M+2K"	77.926316
"1079988"	169.987008	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2K"	77.926316
"1111010"	340.981292	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2K+H"	78.933592
"1345209"	341.068907	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+DMSO+H"	79.021207
"1019936"	345.108076	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2ACN+H"	83.060376
"1529670"	346.101708	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+IsoProp+Na+H"	84.054008
"999401"	173.057676	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+2ACN+2H"	84.067652
"1594998"	347.016328	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+K+HCOOH"	84.968628
"1422845"	377.047838	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+H+CF3COOH"	115.000138
"1150950"	193.570951	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+3ACN+2H"	125.094202
"1698312"	394.074385	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+NH4+CF3COOH"	132.026685
"1635181"	399.02978	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+Na+CF3COOH"	136.98208
"1577274"	415.00372	"C16264"	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-24-dienoate"	"C13H10O6"	"262.0477"	"M+K+CF3COOH"	152.95602
"814933"	301.0468	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M"	0
"982268"	282.02841	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H2O-H"	-19.01839
"75978"	199.690590666667	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-3H"	-3.021828
"514081"	300.039524	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-3H"	-3.021828
"892246"	99.3416573333333	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-3H"	-3.021828
"6446"	300.039524	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H"	-2.014552
"449288"	450.562924	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H"	-2.014552
"823809"	149.516124	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H"	-2.014552
"90363"	601.086324	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H"	-1.007276
"528830"	902.133124	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H"	-1.007276
"903351"	300.039524	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H"	-1.007276
"60524"	618.112871	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+NH4"	16.019271
"489638"	919.159671	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+NH4"	16.019271
"868532"	317.066071	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+NH4"	16.019271
"33153"	623.068266	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+Na"	20.974666
"474902"	924.115066	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+Na"	20.974666
"858173"	322.021466	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+Na"	20.974666
"1632697"	322.021466	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na-2H"	20.974666
"108376"	318.027863	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-H+Cl"	33.962126
"549723"	468.551263	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-H+Cl"	33.962126
"942346"	167.504463	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+Cl"	33.962126
"280253"	637.063002	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Cl"	34.969402
"673037"	938.109802	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Cl"	34.969402
"1286163"	336.016202	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl"	34.969402
"23255"	639.042206	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M-2H+K"	36.948606
"458442"	940.089006	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M-2H+K"	36.948606
"838431"	337.995406	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-2H+K"	36.948606
"1557178"	337.995406	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K-2H"	36.948606
"950895"	346.044994	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+HCOOH"	44.998194
"370205"	647.091801	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+HCOOH-H"	44.998201
"354087"	661.107451	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Hac-H"	59.013851
"1500732"	360.060651	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Hac-H"	59.013851
"964994"	368.026951	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+NaCOOH"	66.980151
"117183"	336.016202	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Cl"	69.938804
"562212"	486.539602	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Cl"	69.938804
"1032835"	185.492802	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Cl"	69.938804
"1252777"	379.965685	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Br"	78.918885
"1313039"	382.021672	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+HCOOH"	80.974872
"1335536"	404.003629	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+NaCOOH"	102.956829
"926465"	414.032386	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M-H+CF3COOH"	112.985586
"1304029"	450.009064	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Cl+CF3COOH"	148.962264
"1382594"	266.034124	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-2H2O"	-35.012676
"1398298"	284.0441	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H-H2O"	-17.0027
"298157"	603.100876	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H"	1.007276
"689725"	904.147676	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H"	1.007276
"1360967"	302.054076	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H"	1.007276
"130942"	302.054076	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2H"	2.014552
"571595"	452.577476	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2H"	2.014552
"1049872"	151.530676	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H"	2.014552
"216681"	201.705142666667	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H"	3.021828
"657704"	302.054076	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+3H"	3.021828
"1176554"	101.356209333333	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+3H"	3.021828
"431446"	620.127423	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+NH4"	18.033823
"792443"	921.174223	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+NH4"	18.033823
"1687680"	319.080623	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4"	18.033823
"338145"	310.5673495	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+NH4"	19.041099
"737979"	461.0907495	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+NH4"	19.041099
"1488760"	160.0439495	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+NH4"	19.041099
"407201"	625.082818	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na"	22.989218
"769841"	926.129618	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na"	22.989218
"1611069"	324.036018	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na"	22.989218
"325481"	313.045047	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+Na"	23.996494
"715716"	463.568447	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+Na"	23.996494
"1470630"	162.521647	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+Na"	23.996494
"1064969"	108.683523333333	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2H+Na"	25.00377
"1268833"	334.080286	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+CH3OH+H"	33.033486
"389600"	641.056758	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+K"	38.963158
"749503"	942.103558	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+K"	38.963158
"1554717"	340.009958	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K"	38.963158
"309827"	321.032017	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+H+K"	39.970434
"705532"	471.555417	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+H+K"	39.970434
"1458256"	170.508617	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+K"	39.970434
"243580"	644.127426	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+H"	42.033826
"1213372"	343.080626	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+H"	42.033826
"1202358"	172.043951	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+2H"	43.041102
"190491"	647.06476	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na-H"	44.97116
"629686"	948.11156	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na-H"	44.97116
"1132100"	346.01796	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na-H"	44.97116
"174661"	324.036018	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2Na"	45.978436
"614949"	474.559418	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2Na"	45.978436
"1124654"	173.512618	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2Na"	45.978436
"1408177"	116.010837333333	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+2Na"	46.985712
"1434460"	348.059546	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+HCOOH"	47.012746
"227801"	329.06904	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+3H2O+2H"	56.04448
"1522059"	362.11159	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+H"	61.06479
"422109"	332.022988	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+Na+K"	61.952376
"780918"	482.546388	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+Na+K"	61.952376
"1677252"	181.499588	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+K"	61.952376
"260492"	666.109368	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+ACN+Na"	64.015768
"1234293"	365.062568	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+ACN+Na"	64.015768
"1722085"	365.086093	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+HCOOH"	64.039293
"1190719"	123.338151333333	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+3Na"	68.967654
"1659520"	370.041488	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+HCOOH"	68.994688
"168569"	679.01264	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K-H"	76.91904
"610319"	980.05944	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K-H"	76.91904
"1098359"	377.96584	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K-H"	76.91904
"154929"	340.009958	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"2M+2K"	77.926316
"593396"	490.533358	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"3M+2K"	77.926316
"1080097"	189.486558	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K"	77.926316
"1106745"	379.980392	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2K+H"	78.933592
"1347505"	380.068007	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+DMSO+H"	79.021207
"1019073"	384.107176	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+H"	83.060376
"1528686"	385.100808	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+IsoProp+Na+H"	84.054008
"995134"	192.557226	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+2ACN+2H"	84.067652
"1592921"	386.015428	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+HCOOH"	84.968628
"1422953"	416.046938	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+H+CF3COOH"	115.000138
"1149966"	213.070501	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+3ACN+2H"	125.094202
"1698421"	433.073485	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+NH4+CF3COOH"	132.026685
"1635170"	438.02888	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+Na+CF3COOH"	136.98208
"1577384"	454.00282	"C16265"	"N-Acetylgalactosamine 4-sulfate"	"C8H15NO9S"	"301.0468"	"M+K+CF3COOH"	152.95602
"814679"	175.9876	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M"	0
"982378"	156.96921	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H2O-H"	-19.01839
"76088"	116.317790666667	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-3H"	-3.021828
"514555"	174.980324	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-3H"	-3.021828
"892721"	57.6552573333333	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-3H"	-3.021828
"7649"	174.980324	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H"	-2.014552
"454745"	262.974124	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H"	-2.014552
"825013"	86.986524	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H"	-2.014552
"92539"	350.967924	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-H"	-1.007276
"528940"	526.955524	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-H"	-1.007276
"903461"	174.980324	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H"	-1.007276
"60755"	367.994471	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H+NH4"	16.019271
"489748"	543.982071	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H+NH4"	16.019271
"867549"	192.006871	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H+NH4"	16.019271
"33627"	372.949866	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H+Na"	20.974666
"475012"	548.937466	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H+Na"	20.974666
"852816"	196.962266	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H+Na"	20.974666
"1632195"	196.962266	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na-2H"	20.974666
"108000"	192.968663	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-H+Cl"	33.962126
"548290"	280.962463	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-H+Cl"	33.962126
"937792"	104.974863	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+Cl"	33.962126
"278900"	386.944602	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Cl"	34.969402
"673385"	562.932202	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+Cl"	34.969402
"1282992"	210.957002	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl"	34.969402
"25552"	388.923806	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M-2H+K"	36.948606
"465114"	564.911406	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M-2H+K"	36.948606
"839634"	212.936206	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-2H+K"	36.948606
"1566402"	212.936206	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K-2H"	36.948606
"954654"	220.985794	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+HCOOH"	44.998194
"372504"	396.973401	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+HCOOH-H"	44.998201
"354198"	410.989051	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Hac-H"	59.013851
"1500113"	235.001451	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Hac-H"	59.013851
"965104"	242.967751	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+NaCOOH"	66.980151
"116200"	210.957002	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2Cl"	69.938804
"559041"	298.950802	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2Cl"	69.938804
"1032217"	122.963202	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2Cl"	69.938804
"1252889"	254.906485	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Br"	78.918885
"1315703"	256.962472	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl+HCOOH"	80.974872
"1335198"	278.944429	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl+NaCOOH"	102.956829
"926862"	288.973186	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M-H+CF3COOH"	112.985586
"1303699"	324.949864	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Cl+CF3COOH"	148.962264
"1382343"	140.974924	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H-2H2O"	-35.012676
"1397492"	158.9849	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H-H2O"	-17.0027
"297782"	352.982476	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H"	1.007276
"690932"	528.970076	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H"	1.007276
"1362173"	176.994876	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H"	1.007276
"139807"	176.994876	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2H"	2.014552
"580094"	264.988676	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2H"	2.014552
"1049984"	89.001076	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2H"	2.014552
"218253"	118.332342666667	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+3H"	3.021828
"657451"	176.994876	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+3H"	3.021828
"1177033"	59.6698093333333	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+3H"	3.021828
"438116"	370.009023	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+NH4"	18.033823
"790366"	545.996623	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+NH4"	18.033823
"1691071"	194.021423	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+NH4"	18.033823
"342629"	185.5081495	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H+NH4"	19.041099
"737240"	273.5019495	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H+NH4"	19.041099
"1489963"	97.5143495	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+NH4"	19.041099
"407674"	374.964418	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Na"	22.989218
"769162"	550.952018	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+Na"	22.989218
"1617134"	198.976818	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na"	22.989218
"327659"	187.985847	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H+Na"	23.996494
"718016"	275.979647	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H+Na"	23.996494
"1475844"	99.992047	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+Na"	23.996494
"1066903"	66.9971233333333	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2H+Na"	25.00377
"1266757"	209.021086	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+CH3OH+H"	33.033486
"391171"	390.938358	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+K"	38.963158
"751800"	566.925958	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+K"	38.963158
"1553977"	214.950758	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K"	38.963158
"311030"	195.972817	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+H+K"	39.970434
"702359"	283.966617	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+H+K"	39.970434
"1458003"	107.979017	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+K"	39.970434
"242597"	394.009026	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+ACN+H"	42.033826
"1210281"	218.021426	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+ACN+H"	42.033826
"1204291"	109.514351	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+ACN+2H"	43.041102
"190722"	396.94636	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2Na-H"	44.97116
"629068"	572.93396	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2Na-H"	44.97116
"1141322"	220.95876	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2Na-H"	44.97116
"175135"	198.976818	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2Na"	45.978436
"616153"	286.970618	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2Na"	45.978436
"1116253"	110.983018	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2Na"	45.978436
"1406099"	74.3244373333333	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+2Na"	46.985712
"1440038"	223.000346	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+HCOOH"	47.012746
"232286"	204.00984	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+3H2O+2H"	56.04448
"1521077"	237.05239	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+IsoProp+H"	61.06479
"420033"	206.963788	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+Na+K"	61.952376
"780300"	294.957588	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+Na+K"	61.952376
"1674446"	118.969988	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na+K"	61.952376
"258414"	415.990968	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+ACN+Na"	64.015768
"1234403"	240.003368	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+ACN+Na"	64.015768
"1723288"	240.026893	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+NH4+HCOOH"	64.039293
"1189735"	81.6517513333333	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+3Na"	68.967654
"1659630"	244.982288	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na+HCOOH"	68.994688
"168679"	428.89424	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2K-H"	76.91904
"609336"	604.88184	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2K-H"	76.91904
"1098835"	252.90664	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2K-H"	76.91904
"155039"	214.950758	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"2M+2K"	77.926316
"593506"	302.944558	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"3M+2K"	77.926316
"1081301"	126.956958	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2K"	77.926316
"1111230"	254.921192	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2K+H"	78.933592
"1347616"	255.008807	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+DMSO+H"	79.021207
"1019427"	259.047976	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2ACN+H"	83.060376
"1527703"	260.041608	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+IsoProp+Na+H"	84.054008
"994151"	130.027626	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+2ACN+2H"	84.067652
"1593032"	260.956228	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K+HCOOH"	84.968628
"1423065"	290.987738	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+H+CF3COOH"	115.000138
"1153353"	150.540901	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+3ACN+2H"	125.094202
"1701813"	308.014285	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+NH4+CF3COOH"	132.026685
"1635280"	312.96968	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+Na+CF3COOH"	136.98208
"1577494"	328.94362	"C16266"	"3-Chloro-2-hydroxymuconic semialdehyde"	"C6H5ClO4"	"175.9876"	"M+K+CF3COOH"	152.95602
"815154"	86.0368	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M"	0
"988323"	67.01841	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"76930"	56.3505906666667	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"514669"	85.029524	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"894654"	27.6716573333333	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"14323"	85.029524	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"453519"	128.047924	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"831324"	42.011124	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"93503"	171.066324	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"531239"	257.103124	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"905762"	85.029524	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"50296"	188.092871	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"495323"	274.129671	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"874221"	102.056071	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"35561"	193.048266	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"474027"	279.085066	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"852926"	107.011466	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1633651"	107.011466	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"109779"	103.017863	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"545482"	146.036263	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"938270"	59.999463	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"277187"	207.043002	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"670701"	293.079802	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1284198"	121.006202	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"28945"	209.022206	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"468505"	295.059006	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"839744"	122.985406	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1564325"	122.985406	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"952210"	131.034994	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"373342"	217.071801	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"356494"	231.087451	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1502045"	145.050651	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"966308"	153.016951	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"119590"	121.006202	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"557328"	164.024602	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1032326"	77.987802	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1255190"	164.955685	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1314354"	167.011672	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1335466"	188.993629	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"926894"	199.022386	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1303813"	234.999064	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1382675"	51.024124	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1396378"	69.0341	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"294970"	173.080876	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"689582"	259.117676	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1365563"	87.044076	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"137359"	87.044076	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"578379"	130.062476	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1050458"	44.025676	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"215082"	58.3651426666667	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"659624"	87.044076	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1170582"	29.6862093333333	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"428387"	190.107423	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"795944"	276.144223	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1695191"	104.070623	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"344562"	95.5573495	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"738162"	138.5757495	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1489710"	52.5389495	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"408149"	195.062818	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"769404"	281.099618	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1617850"	109.026018	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"325701"	98.035047	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"720314"	141.053447	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1476566"	55.016647	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1067787"	37.0135233333333	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1267965"	119.070286	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"390914"	211.036758	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"752278"	297.073558	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1553967"	124.999958	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"312235"	106.022017	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"704657"	149.040417	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1458477"	63.003617	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"248174"	214.107426	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1218696"	128.070626	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1202577"	64.538951	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"196542"	217.04476	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"634281"	303.08156	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1142526"	131.00796	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"183994"	109.026018	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"618816"	152.044418	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1120862"	66.007618	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1408397"	44.3408373333333	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1442337"	133.049546	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"233491"	114.05904	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1520822"	147.10159	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"420874"	117.012988	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"779682"	160.031388	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1681082"	73.994588	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"265818"	236.089368	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1236339"	150.052568	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1721944"	150.076093	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1189485"	51.6681513333333	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1657555"	155.031488	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"172444"	248.99264	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"612489"	335.02944	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1099515"	162.95584	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"156731"	124.999958	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"594593"	168.018358	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1079226"	81.981558	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1106968"	164.970392	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1346633"	165.058007	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1017350"	169.097176	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1527818"	170.090808	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"997546"	85.052226	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1593143"	171.005428	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1417710"	201.036938	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1147997"	105.565501	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1699736"	218.063485	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1635390"	223.01888	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1578697"	238.99282	"C16267"	"Cyclopropanecarboxylate"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"814536"	835.1414	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M"	0
"986974"	816.12301	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H2O-H"	-19.01839
"75219"	555.753657333333	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-3H"	-3.021828
"517693"	834.134124	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-3H"	-3.021828
"894036"	277.373190666667	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-3H"	-3.021828
"10058"	834.134124	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H"	-2.014552
"453265"	1251.704824	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H"	-2.014552
"830341"	416.563424	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H"	-2.014552
"94060"	1669.275524	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H"	-1.007276
"531349"	2504.416924	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H"	-1.007276
"905872"	834.134124	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H"	-1.007276
"48218"	1686.302071	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+NH4"	16.019271
"495433"	2521.443471	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+NH4"	16.019271
"872146"	851.160671	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+NH4"	16.019271
"37860"	1691.257466	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+Na"	20.974666
"473771"	2526.398866	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+Na"	20.974666
"863612"	856.116066	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+Na"	20.974666
"1633395"	856.116066	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na-2H"	20.974666
"108950"	852.122463	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-H+Cl"	33.962126
"547413"	1269.693163	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-H+Cl"	33.962126
"937646"	434.551763	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+Cl"	33.962126
"281309"	1705.252202	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Cl"	34.969402
"673730"	2540.393602	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Cl"	34.969402
"1283944"	870.110802	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl"	34.969402
"31244"	1707.231406	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M-2H+K"	36.948606
"465334"	2542.372806	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M-2H+K"	36.948606
"846418"	872.090006	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-2H+K"	36.948606
"1564435"	872.090006	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K-2H"	36.948606
"953413"	880.139594	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+HCOOH"	44.998194
"372723"	1715.281001	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+HCOOH-H"	44.998201
"356604"	1729.296651	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Hac-H"	59.013851
"1504341"	894.155251	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Hac-H"	59.013851
"968604"	902.121551	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+NaCOOH"	66.980151
"120793"	870.110802	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Cl"	69.938804
"560354"	1287.681502	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Cl"	69.938804
"1034261"	452.540102	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Cl"	69.938804
"1255300"	914.060285	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Br"	78.918885
"1317017"	916.116272	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+HCOOH"	80.974872
"1335006"	938.098229	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+NaCOOH"	102.956829
"925699"	948.126986	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M-H+CF3COOH"	112.985586
"1302286"	984.103664	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Cl+CF3COOH"	148.962264
"1380812"	800.128724	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-2H2O"	-35.012676
"1398426"	818.1387	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H-H2O"	-17.0027
"295080"	1671.290076	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H"	1.007276
"688595"	2506.431476	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H"	1.007276
"1357290"	836.148676	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H"	1.007276
"134553"	836.148676	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2H"	2.014552
"580310"	1253.719376	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2H"	2.014552
"1047289"	418.577976	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H"	2.014552
"207902"	557.768209333333	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H"	3.021828
"649285"	836.148676	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+3H"	3.021828
"1166681"	279.387742666667	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3H"	3.021828
"428497"	1688.316623	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+NH4"	18.033823
"790585"	2523.458023	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+NH4"	18.033823
"1689104"	853.175223	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4"	18.033823
"341392"	844.6619495	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+NH4"	19.041099
"736000"	1262.2326495	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+NH4"	19.041099
"1486903"	427.0912495	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+NH4"	19.041099
"403396"	1693.272018	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na"	22.989218
"769862"	2528.413418	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na"	22.989218
"1616867"	858.130618	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na"	22.989218
"324718"	847.139647	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+Na"	23.996494
"720424"	1264.710347	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+Na"	23.996494
"1476673"	429.568947	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+Na"	23.996494
"1064209"	286.715056666667	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2H+Na"	25.00377
"1269168"	868.174886	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+CH3OH+H"	33.033486
"388837"	1709.245958	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+K"	38.963158
"748740"	2544.387358	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+K"	38.963158
"1554075"	874.104558	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K"	38.963158
"311980"	855.126617	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+H+K"	39.970434
"703673"	1272.697317	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+H+K"	39.970434
"1454213"	437.555917	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+K"	39.970434
"243910"	1712.316626	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+H"	42.033826
"1212974"	877.175226	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+H"	42.033826
"1200866"	439.091251	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+2H"	43.041102
"193737"	1715.25396	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na-H"	44.97116
"630017"	2550.39536	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na-H"	44.97116
"1140083"	880.11256	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na-H"	44.97116
"181185"	858.130618	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2Na"	45.978436
"617831"	1275.701318	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2Na"	45.978436
"1120244"	440.559918	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2Na"	45.978436
"1408507"	294.042370666667	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+2Na"	46.985712
"1443540"	882.154146	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+HCOOH"	47.012746
"233599"	863.16364	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+3H2O+2H"	56.04448
"1521295"	896.20619	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+H"	61.06479
"420982"	866.117588	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+Na+K"	61.952376
"781248"	1283.688288	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+Na+K"	61.952376
"1681152"	448.546888	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+K"	61.952376
"265807"	1734.298568	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+ACN+Na"	64.015768
"1235720"	899.157168	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+ACN+Na"	64.015768
"1726428"	899.180693	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+HCOOH"	64.039293
"1189960"	301.369684666667	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3Na"	68.967654
"1663134"	904.136088	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+HCOOH"	68.994688
"167809"	1747.20184	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K-H"	76.91904
"611743"	2582.34324	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K-H"	76.91904
"1099054"	912.06044	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K-H"	76.91904
"156232"	874.104558	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"2M+2K"	77.926316
"594824"	1291.675258	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"3M+2K"	77.926316
"1080431"	456.533858	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K"	77.926316
"1108173"	914.074992	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2K+H"	78.933592
"1344557"	914.162607	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+DMSO+H"	79.021207
"1016368"	918.201776	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+H"	83.060376
"1527927"	919.195408	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+IsoProp+Na+H"	84.054008
"996563"	459.604526	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+2ACN+2H"	84.067652
"1591066"	920.110028	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+HCOOH"	84.968628
"1417820"	950.141538	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+H+CF3COOH"	115.000138
"1150295"	480.117801	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+3ACN+2H"	125.094202
"1698388"	967.168085	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+NH4+CF3COOH"	132.026685
"1635500"	972.12348	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+Na+CF3COOH"	136.98208
"1578807"	988.09742	"C16268"	"Cyclopropanecarboxyl-CoA"	"C25H40N7O17P3S"	"835.1414"	"M+K+CF3COOH"	152.95602
"815618"	204.1878	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M"	0
"988179"	185.16941	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"76057"	135.117924	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517075"	203.180524	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"894510"	67.055324	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"11261"	203.180524	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"453374"	305.274424	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"828995"	101.086624	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91540"	407.368324	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533404"	611.556124	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909262"	203.180524	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51611"	424.394871	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"498823"	628.582671	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"870070"	220.207071	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37970"	429.350266	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"475340"	633.538066	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"864086"	225.162466	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1633018"	225.162466	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"109304"	221.168863	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"546432"	323.262763	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"937757"	119.074963	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"280325"	443.345002	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"673839"	647.532802	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1282231"	239.157202	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"25887"	445.324206	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"462164"	649.512006	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"844342"	241.136406	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1561265"	241.136406	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953523"	249.185994	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"370643"	453.373801	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"352342"	467.389451	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1498989"	263.201651	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965436"	271.167951	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"118717"	239.157202	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"558280"	341.251102	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032550"	137.063302	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253949"	283.106685	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318223"	285.162672	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332442"	307.144629	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925326"	317.173386	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302764"	353.150064	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1381532"	169.175124	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1397449"	187.1851	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"293004"	409.382876	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"689436"	613.570676	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356307"	205.195076	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137579"	205.195076	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"575318"	307.288976	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1043027"	103.101176	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"204608"	137.132476	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"646478"	205.195076	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1167522"	69.069876	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"427514"	426.409423	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"791790"	630.597223	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691403"	222.221623	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"339680"	213.7083495	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"733195"	315.8022495	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1487013"	111.6144495	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"400226"	431.364818	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"764502"	635.552618	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1612604"	227.177018	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"324828"	216.186047	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"720534"	318.279947	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1476538"	114.092147	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1066505"	76.39719	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1270371"	237.221286	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"391134"	447.338758	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"751768"	651.526558	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1554186"	243.150958	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+K"	38.963158
"310999"	224.173017	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704511"	326.266917	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458332"	122.079117	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"247300"	450.409426	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1217821"	246.221626	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1199517"	123.614451	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"191659"	453.34676	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"632678"	657.53456	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1140193"	249.15896	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182025"	227.177018	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"616848"	329.270918	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1119989"	125.083118	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1407524"	83.724504	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1444014"	251.200546	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"233953"	232.21004	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522500"	265.25259	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"418176"	235.163988	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"780264"	337.257888	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1675509"	133.070088	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266769"	472.391368	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1235466"	268.203568	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1723258"	268.227093	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190072"	91.051818	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1662151"	273.182488	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166825"	485.29464	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"608573"	689.48244	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097460"	281.10684	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"156100"	243.150958	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"595786"	345.244858	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1082607"	141.057058	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111563"	283.121392	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345761"	283.209007	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1016476"	287.248176	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1526944"	288.241808	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"994486"	144.127726	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1590083"	289.156428	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1419023"	319.187938	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1149676"	164.641001	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1697524"	336.214485	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635610"	341.16988	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1578917"	357.14382	"C16269"	"()-epi-Isozizaene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"815486"	568.428	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M"	0
"982818"	549.40961	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-H2O-H"	-19.01839
"74341"	377.944724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M-3H"	-3.021828
"515726"	567.420724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M-3H"	-3.021828
"892796"	188.468724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-3H"	-3.021828
"14895"	567.420724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M-2H"	-2.014552
"447651"	851.634724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M-2H"	-2.014552
"825454"	283.206724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-2H"	-2.014552
"91648"	1135.848724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M-H"	-1.007276
"532663"	1704.276724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M-H"	-1.007276
"909005"	567.420724	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-H"	-1.007276
"60349"	1152.875271	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M-2H+NH4"	16.019271
"499299"	1721.303271	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M-2H+NH4"	16.019271
"870179"	584.447271	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-2H+NH4"	16.019271
"38079"	1157.830666	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M-2H+Na"	20.974666
"475452"	1726.258666	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M-2H+Na"	20.974666
"853254"	589.402666	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-2H+Na"	20.974666
"1632643"	589.402666	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Na-2H"	20.974666
"108441"	585.409063	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M-H+Cl"	33.962126
"548000"	869.623063	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M-H+Cl"	33.962126
"937503"	301.195063	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-H+Cl"	33.962126
"281166"	1171.825402	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+Cl"	34.969402
"673950"	1740.253402	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+Cl"	34.969402
"1281613"	603.397402	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Cl"	34.969402
"28184"	1173.804606	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M-2H+K"	36.948606
"464463"	1742.232606	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M-2H+K"	36.948606
"836795"	605.376606	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-2H+K"	36.948606
"1560282"	605.376606	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+K-2H"	36.948606
"947073"	613.426194	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-H+HCOOH"	44.998194
"366381"	1181.854201	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+HCOOH-H"	44.998201
"351361"	1195.869851	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+Hac-H"	59.013851
"1495819"	627.441851	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Hac-H"	59.013851
"966640"	635.408151	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-H+NaCOOH"	66.980151
"116641"	603.397402	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+2Cl"	69.938804
"557298"	887.611402	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+2Cl"	69.938804
"1030472"	319.183402	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2Cl"	69.938804
"1252966"	647.346885	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Br"	78.918885
"1319062"	649.402872	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Cl+HCOOH"	80.974872
"1334374"	671.384829	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Cl+NaCOOH"	102.956829
"925801"	681.413586	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M-H+CF3COOH"	112.985586
"1301780"	717.390264	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Cl+CF3COOH"	148.962264
"1381035"	533.415324	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H-2H2O"	-35.012676
"1397072"	551.4253	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H-H2O"	-17.0027
"297002"	1137.863276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+H"	1.007276
"687722"	1706.291276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+H"	1.007276
"1359697"	569.435276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H"	1.007276
"137688"	569.435276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+2H"	2.014552
"576521"	853.649276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+2H"	2.014552
"1042043"	285.221276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2H"	2.014552
"212130"	379.959276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+3H"	3.021828
"646953"	569.435276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+3H"	3.021828
"1169816"	190.483276	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+3H"	3.021828
"429810"	1154.889823	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+NH4"	18.033823
"791171"	1723.317823	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+NH4"	18.033823
"1691513"	586.461823	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+NH4"	18.033823
"337604"	577.9485495	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+H+NH4"	19.041099
"732212"	862.1625495	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+H+NH4"	19.041099
"1487123"	293.7345495	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H+NH4"	19.041099
"400336"	1159.845218	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+Na"	22.989218
"763519"	1728.273218	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+Na"	22.989218
"1612715"	591.417218	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Na"	22.989218
"327126"	580.426247	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+H+Na"	23.996494
"718459"	864.640247	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+H+Na"	23.996494
"1474461"	296.212247	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H+Na"	23.996494
"1066373"	197.81059	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2H+Na"	25.00377
"1270360"	601.461486	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+CH3OH+H"	33.033486
"391122"	1175.819158	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+K"	38.963158
"751148"	1744.247158	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+K"	38.963158
"1553568"	607.391158	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+K"	38.963158
"311109"	588.413217	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+H+K"	39.970434
"703893"	872.627217	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+H+K"	39.970434
"1458806"	304.199217	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H+K"	39.970434
"245222"	1178.889826	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+ACN+H"	42.033826
"1214651"	610.461826	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+ACN+H"	42.033826
"1199993"	305.734551	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+ACN+2H"	43.041102
"189338"	1181.82716	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+2Na-H"	44.97116
"629627"	1750.25516	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+2Na-H"	44.97116
"1137023"	613.39916	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2Na-H"	44.97116
"182135"	591.417218	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+2Na"	45.978436
"615013"	875.631218	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+2Na"	45.978436
"1120099"	307.203218	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2Na"	45.978436
"1410549"	205.137904	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H+2Na"	46.985712
"1444367"	615.440746	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H+HCOOH"	47.012746
"230537"	596.45024	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+3H2O+2H"	56.04448
"1517505"	629.49279	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+IsoProp+H"	61.06479
"421202"	599.404188	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+Na+K"	61.952376
"781104"	883.618188	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+Na+K"	61.952376
"1677805"	315.190188	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Na+K"	61.952376
"264326"	1200.871768	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+ACN+Na"	64.015768
"1235940"	632.443768	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+ACN+Na"	64.015768
"1721545"	632.467293	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+NH4+HCOOH"	64.039293
"1187993"	212.465218	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+3Na"	68.967654
"1660075"	637.422688	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Na+HCOOH"	68.994688
"166935"	1213.77504	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+2K-H"	76.91904
"607589"	1782.20304	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+2K-H"	76.91904
"1097570"	645.34704	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2K-H"	76.91904
"155479"	607.391158	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"2M+2K"	77.926316
"593946"	891.605158	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"3M+2K"	77.926316
"1081745"	323.177158	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2K"	77.926316
"1109487"	647.361592	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2K+H"	78.933592
"1344776"	647.449207	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+DMSO+H"	79.021207
"1013306"	651.488376	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2ACN+H"	83.060376
"1529241"	652.482008	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+IsoProp+Na+H"	84.054008
"996783"	326.247826	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+2ACN+2H"	84.067652
"1590192"	653.396628	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+K+HCOOH"	84.968628
"1420225"	683.428138	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+H+CF3COOH"	115.000138
"1151609"	346.761101	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+3ACN+2H"	125.094202
"1700066"	700.454685	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+NH4+CF3COOH"	132.026685
"1635720"	705.41008	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+Na+CF3COOH"	136.98208
"1577934"	721.38402	"C16270"	"Rhodopinal"	"C40H56O2"	"568.428"	"M+K+CF3COOH"	152.95602
"816203"	730.4809	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M"	0
"987301"	711.46251	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-H2O-H"	-19.01839
"75544"	485.979990666667	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M-3H"	-3.021828
"511825"	729.473624	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M-3H"	-3.021828
"892541"	242.486357333333	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-3H"	-3.021828
"9292"	729.473624	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M-2H"	-2.014552
"451040"	1094.714074	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M-2H"	-2.014552
"825561"	364.233174	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-2H"	-2.014552
"84460"	1459.954524	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M-H"	-1.007276
"530581"	2190.435424	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M-H"	-1.007276
"901821"	729.473624	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-H"	-1.007276
"57291"	1476.981071	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M-2H+NH4"	16.019271
"499776"	2207.461971	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M-2H+NH4"	16.019271
"870286"	746.500171	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-2H+NH4"	16.019271
"41468"	1481.936466	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M-2H+Na"	20.974666
"478841"	2212.417366	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M-2H+Na"	20.974666
"858832"	751.455566	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-2H+Na"	20.974666
"1629464"	751.455566	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Na-2H"	20.974666
"106725"	747.461963	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M-H+Cl"	33.962126
"549655"	1112.702413	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M-H+Cl"	33.962126
"938706"	382.221513	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-H+Cl"	33.962126
"280547"	1495.931202	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+Cl"	34.969402
"674308"	2226.412102	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+Cl"	34.969402
"1286707"	765.450302	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Cl"	34.969402
"27199"	1497.910406	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M-2H+K"	36.948606
"460197"	2228.391306	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M-2H+K"	36.948606
"835082"	767.429506	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-2H+K"	36.948606
"1562579"	767.429506	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+K-2H"	36.948606
"949370"	775.479094	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-H+HCOOH"	44.998194
"368676"	1505.960001	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+HCOOH-H"	44.998201
"351472"	1519.975651	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+Hac-H"	59.013851
"1497750"	789.494751	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Hac-H"	59.013851
"967844"	797.461051	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-H+NaCOOH"	66.980151
"118938"	765.450302	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+2Cl"	69.938804
"560687"	1130.690752	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+2Cl"	69.938804
"1034228"	400.209852	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2Cl"	69.938804
"1253076"	809.399785	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Br"	78.918885
"1318082"	811.455772	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Cl+HCOOH"	80.974872
"1333391"	833.437729	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Cl+NaCOOH"	102.956829
"924086"	843.466486	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M-H+CF3COOH"	112.985586
"1297879"	879.443164	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Cl+CF3COOH"	148.962264
"1380050"	695.468224	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H-2H2O"	-35.012676
"1395360"	713.4782	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H-H2O"	-17.0027
"297721"	1461.969076	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+H"	1.007276
"687833"	2192.449976	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+H"	1.007276
"1363087"	731.488176	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H"	1.007276
"137798"	731.488176	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+2H"	2.014552
"576997"	1096.728626	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+2H"	2.014552
"1045434"	366.247726	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2H"	2.014552
"216614"	487.994542666667	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+3H"	3.021828
"646699"	731.488176	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+3H"	3.021828
"1168833"	244.500909333333	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+3H"	3.021828
"435387"	1478.995623	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+NH4"	18.033823
"790916"	2209.476523	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+NH4"	18.033823
"1690530"	748.514723	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+NH4"	18.033823
"340994"	740.0014495	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+H+NH4"	19.041099
"732320"	1105.2418995	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+H+NH4"	19.041099
"1490513"	374.7609995	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H+NH4"	19.041099
"403726"	1483.951018	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+Na"	22.989218
"764722"	2214.431918	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+Na"	22.989218
"1611731"	753.470118	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Na"	22.989218
"328454"	742.479147	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+H+Na"	23.996494
"717476"	1107.719597	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+H+Na"	23.996494
"1474571"	377.238697	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H+Na"	23.996494
"1065631"	251.828223333333	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2H+Na"	25.00377
"1271322"	763.514386	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+CH3OH+H"	33.033486
"390260"	1499.924958	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+K"	38.963158
"752352"	2230.405858	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+K"	38.963158
"1554894"	769.444058	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+K"	38.963158
"313164"	750.466117	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+H+K"	39.970434
"702911"	1115.706567	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+H+K"	39.970434
"1455638"	385.225667	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H+K"	39.970434
"244239"	1502.995626	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+ACN+H"	42.033826
"1216219"	772.514726	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+ACN+H"	42.033826
"1197916"	386.761001	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+ACN+2H"	43.041102
"189448"	1505.93296	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+2Na-H"	44.97116
"630347"	2236.41386	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+2Na-H"	44.97116
"1139320"	775.45206	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2Na-H"	44.97116
"182245"	753.470118	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+2Na"	45.978436
"615975"	1118.710568	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+2Na"	45.978436
"1120209"	388.229668	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2Na"	45.978436
"1408836"	259.155537333333	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H+2Na"	46.985712
"1443869"	777.493646	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H+HCOOH"	47.012746
"230646"	758.50314	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+3H2O+2H"	56.04448
"1517615"	791.54569	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+IsoProp+H"	61.06479
"417303"	761.457088	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+Na+K"	61.952376
"782671"	1126.697538	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+Na+K"	61.952376
"1679861"	396.216638	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Na+K"	61.952376
"264436"	1524.977568	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+ACN+Na"	64.015768
"1237144"	794.496668	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+ACN+Na"	64.015768
"1721656"	794.520193	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+NH4+HCOOH"	64.039293
"1188103"	266.482851333333	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+3Na"	68.967654
"1661278"	799.475588	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Na+HCOOH"	68.994688
"167045"	1537.88084	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+2K-H"	76.91904
"606606"	2268.36174	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+2K-H"	76.91904
"1097320"	807.39994	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2K-H"	76.91904
"155596"	769.444058	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"2M+2K"	77.926316
"595152"	1134.684508	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"3M+2K"	77.926316
"1082944"	404.203608	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2K"	77.926316
"1108502"	809.414492	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2K+H"	78.933592
"1348168"	809.502107	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+DMSO+H"	79.021207
"1015604"	813.541276	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2ACN+H"	83.060376
"1527165"	814.534908	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+IsoProp+Na+H"	84.054008
"995799"	407.274276	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+2ACN+2H"	84.067652
"1590304"	815.449528	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+K+HCOOH"	84.968628
"1418150"	845.481038	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+H+CF3COOH"	115.000138
"1148439"	427.787551	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+3ACN+2H"	125.094202
"1700177"	862.507585	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+NH4+CF3COOH"	132.026685
"1636923"	867.46298	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+Na+CF3COOH"	136.98208
"1578044"	883.43692	"C16271"	"Rhodopinal glucoside"	"C46H66O7"	"730.4809"	"M+K+CF3COOH"	152.95602
"815704"	146.0579	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M"	0
"985225"	127.03951	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H2O-H"	-19.01839
"75654"	96.3646573333333	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-3H"	-3.021828
"514121"	145.050624	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-3H"	-3.021828
"891922"	47.6786906666667	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-3H"	-3.021828
"8309"	145.050624	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H"	-2.014552
"451150"	218.079574	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H"	-2.014552
"822391"	72.021674	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H"	-2.014552
"84570"	291.108524	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-H"	-1.007276
"531663"	437.166424	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-H"	-1.007276
"900838"	145.050624	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H"	-1.007276
"55214"	308.135071	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H+NH4"	16.019271
"500495"	454.192971	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H+NH4"	16.019271
"873676"	162.077171	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H+NH4"	16.019271
"40485"	313.090466	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H+Na"	20.974666
"481138"	459.148366	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H+Na"	20.974666
"855662"	167.032566	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H+Na"	20.974666
"1630667"	167.032566	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na-2H"	20.974666
"106471"	163.038963	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-H+Cl"	33.962126
"549321"	236.067913	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-H+Cl"	33.962126
"940641"	90.010013	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+Cl"	33.962126
"281878"	327.085202	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Cl"	34.969402
"674174"	473.143102	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+Cl"	34.969402
"1286938"	181.027302	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl"	34.969402
"22935"	329.064406	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M-2H+K"	36.948606
"460310"	475.122306	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M-2H+K"	36.948606
"837014"	183.006506	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-2H+K"	36.948606
"1560503"	183.006506	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K-2H"	36.948606
"945835"	191.056094	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+HCOOH"	44.998194
"367693"	337.114001	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+HCOOH-H"	44.998201
"351942"	351.129651	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Hac-H"	59.013851
"1501506"	205.071751	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Hac-H"	59.013851
"970141"	213.038051	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+NaCOOH"	66.980151
"116861"	181.027302	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2Cl"	69.938804
"559340"	254.056252	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2Cl"	69.938804
"1036160"	107.998352	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2Cl"	69.938804
"1252821"	224.976785	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Br"	78.918885
"1318917"	227.032772	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl+HCOOH"	80.974872
"1334229"	249.014729	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl+NaCOOH"	102.956829
"926751"	259.043486	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M-H+CF3COOH"	112.985586
"1300176"	295.020164	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Cl+CF3COOH"	148.962264
"1380525"	111.045224	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H-2H2O"	-35.012676
"1395833"	129.0552	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H-H2O"	-17.0027
"297708"	293.123076	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H"	1.007276
"686850"	439.180976	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H"	1.007276
"1359917"	147.065176	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H"	1.007276
"138273"	147.065176	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2H"	2.014552
"578199"	220.094126	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2H"	2.014552
"1045543"	74.036226	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2H"	2.014552
"214536"	98.3792093333333	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+3H"	3.021828
"649724"	147.065176	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+3H"	3.021828
"1170035"	49.6932426666667	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+3H"	3.021828
"431122"	310.149623	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+NH4"	18.033823
"795399"	456.207523	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+NH4"	18.033823
"1689544"	164.091723	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+NH4"	18.033823
"341103"	155.5784495	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H+NH4"	19.041099
"732430"	228.6073995	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H+NH4"	19.041099
"1490623"	82.5494995	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+NH4"	19.041099
"403836"	315.105018	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Na"	22.989218
"769205"	461.162918	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+Na"	22.989218
"1616940"	169.047118	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na"	22.989218
"325156"	158.056147	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H+Na"	23.996494
"722449"	231.085097	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H+Na"	23.996494
"1472494"	85.027197	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+Na"	23.996494
"1068011"	57.0205566666667	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2H+Na"	25.00377
"1269608"	179.091386	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+CH3OH+H"	33.033486
"391465"	331.078958	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+K"	38.963158
"753842"	477.136858	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+K"	38.963158
"1554522"	185.021058	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K"	38.963158
"312787"	166.043117	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+H+K"	39.970434
"703020"	239.072067	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+H+K"	39.970434
"1457935"	93.014167	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+K"	39.970434
"244349"	334.149626	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+ACN+H"	42.033826
"1210862"	188.091726	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+ACN+H"	42.033826
"1195839"	94.549501	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+ACN+2H"	43.041102
"191990"	337.08696	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2Na-H"	44.97116
"631550"	483.14486	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2Na-H"	44.97116
"1139065"	191.02906	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2Na-H"	44.97116
"185272"	169.047118	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2Na"	45.978436
"617908"	242.076068	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2Na"	45.978436
"1120319"	96.018168	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2Na"	45.978436
"1408946"	64.3478706666667	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+2Na"	46.985712
"1442888"	193.070646	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+HCOOH"	47.012746
"230756"	174.08014	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+3H2O+2H"	56.04448
"1518818"	207.12269	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+H"	61.06479
"418506"	177.034088	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+Na+K"	61.952376
"781688"	250.063038	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+Na+K"	61.952376
"1679848"	104.005138	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na+K"	61.952376
"264546"	356.131568	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+ACN+Na"	64.015768
"1238347"	210.073668	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+ACN+Na"	64.015768
"1724681"	210.097193	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+NH4+HCOOH"	64.039293
"1187119"	71.6751846666667	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+3Na"	68.967654
"1659201"	215.052588	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na+HCOOH"	68.994688
"164968"	369.03484	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2K-H"	76.91904
"608902"	515.09274	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2K-H"	76.91904
"1097794"	222.97694	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2K-H"	76.91904
"155579"	185.021058	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"2M+2K"	77.926316
"596355"	258.050008	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"3M+2K"	77.926316
"1082690"	111.992108	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2K"	77.926316
"1110800"	224.991492	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2K+H"	78.933592
"1347913"	225.079107	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+DMSO+H"	79.021207
"1013525"	229.118276	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2ACN+H"	83.060376
"1528368"	230.111908	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+IsoProp+Na+H"	84.054008
"993722"	115.062776	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+2ACN+2H"	84.067652
"1592600"	231.026528	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K+HCOOH"	84.968628
"1418260"	261.058038	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+H+CF3COOH"	115.000138
"1148549"	135.576051	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+3ACN+2H"	125.094202
"1700287"	278.084585	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+NH4+CF3COOH"	132.026685
"1637033"	283.03998	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+Na+CF3COOH"	136.98208
"1581434"	299.01392	"C16272"	"3-Hydroxy-5-oxohexanoate"	"C6H10O4"	"146.0579"	"M+K+CF3COOH"	152.95602
"815084"	895.1626	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M"	0
"984241"	876.14421	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H2O-H"	-19.01839
"75764"	595.767790666667	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-3H"	-3.021828
"517756"	894.155324	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-3H"	-3.021828
"893126"	297.380257333333	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-3H"	-3.021828
"10605"	894.155324	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H"	-2.014552
"453446"	1341.736624	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H"	-2.014552
"829061"	446.574024	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H"	-2.014552
"83585"	1789.317924	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-H"	-1.007276
"522417"	2684.480524	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-H"	-1.007276
"903134"	894.155324	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H"	-1.007276
"58604"	1806.344471	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+NH4"	16.019271
"501448"	2701.507071	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+NH4"	16.019271
"879575"	911.181871	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+NH4"	16.019271
"44598"	1811.299866	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+Na"	20.974666
"485616"	2706.462466	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+Na"	20.974666
"861237"	916.137266	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+Na"	20.974666
"1629683"	916.137266	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na-2H"	20.974666
"106946"	912.143663	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-H+Cl"	33.962126
"548694"	1359.724963	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-H+Cl"	33.962126
"940386"	464.562363	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+Cl"	33.962126
"280036"	1825.294602	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Cl"	34.969402
"675134"	2720.457202	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Cl"	34.969402
"1286684"	930.132002	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl"	34.969402
"21953"	1827.273806	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+K"	36.948606
"460419"	2722.436406	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+K"	36.948606
"840404"	932.111206	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+K"	36.948606
"1562800"	932.111206	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K-2H"	36.948606
"949592"	940.160794	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+HCOOH"	44.998194
"370722"	1835.323401	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+HCOOH-H"	44.998201
"353875"	1849.339051	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Hac-H"	59.013851
"1499429"	954.176451	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Hac-H"	59.013851
"969887"	962.142751	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+NaCOOH"	66.980151
"116971"	930.132002	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Cl"	69.938804
"560906"	1377.713302	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Cl"	69.938804
"1035541"	482.550702	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Cl"	69.938804
"1252202"	974.081485	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Br"	78.918885
"1316839"	976.137472	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+HCOOH"	80.974872
"1334339"	998.119429	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+NaCOOH"	102.956829
"922481"	1008.148186	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+CF3COOH"	112.985586
"1299191"	1044.124864	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+CF3COOH"	148.962264
"1378446"	860.149924	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H-2H2O"	-35.012676
"1392662"	878.1599	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H-H2O"	-17.0027
"291256"	1791.332476	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H"	1.007276
"689873"	2686.495076	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H"	1.007276
"1356746"	896.169876	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H"	1.007276
"136198"	896.169876	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2H"	2.014552
"575758"	1343.751176	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2H"	2.014552
"1045651"	448.588576	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2H"	2.014552
"213552"	597.782342666667	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+3H"	3.021828
"650927"	896.169876	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+3H"	3.021828
"1170145"	299.394809333333	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3H"	3.021828
"436698"	1808.359023	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+NH4"	18.033823
"792229"	2703.521623	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+NH4"	18.033823
"1689653"	913.196423	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4"	18.033823
"342305"	904.6831495	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+NH4"	19.041099
"732540"	1352.2644495	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+NH4"	19.041099
"1490733"	457.1018495	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+NH4"	19.041099
"402853"	1813.314418	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Na"	22.989218
"768101"	2708.477018	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Na"	22.989218
"1616321"	918.151818	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na"	22.989218
"326359"	907.160847	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+Na"	23.996494
"722699"	1354.742147	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+Na"	23.996494
"1475156"	459.579547	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+Na"	23.996494
"1067676"	306.722123333333	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2H+Na"	25.00377
"1272149"	928.196086	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+CH3OH+H"	33.033486
"392792"	1829.288358	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+K"	38.963158
"750384"	2724.450958	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+K"	38.963158
"1554625"	934.125758	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K"	38.963158
"310708"	915.147817	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+K"	39.970434
"700943"	1362.729117	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+K"	39.970434
"1455858"	467.566517	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+K"	39.970434
"238992"	1832.359026	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+ACN+H"	42.033826
"1210841"	937.196426	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+H"	42.033826
"1195216"	469.101851	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+2H"	43.041102
"192100"	1835.29636	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Na-H"	44.97116
"636762"	2730.45896	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Na-H"	44.97116
"1138082"	940.13376	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Na-H"	44.97116
"182465"	918.151818	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Na"	45.978436
"618018"	1365.733118	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Na"	45.978436
"1121522"	470.570518	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Na"	45.978436
"1409056"	314.049437333333	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+2Na"	46.985712
"1443360"	942.175346	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+HCOOH"	47.012746
"231959"	923.18484	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+3H2O+2H"	56.04448
"1520021"	956.22739	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+IsoProp+H"	61.06479
"415336"	926.138788	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Na+K"	61.952376
"776331"	1373.720088	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Na+K"	61.952376
"1678865"	478.557488	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+K"	61.952376
"265385"	1854.340968	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+ACN+Na"	64.015768
"1239186"	959.178368	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+Na"	64.015768
"1722605"	959.201893	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4+HCOOH"	64.039293
"1190144"	321.376751333333	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3Na"	68.967654
"1659311"	964.157288	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+HCOOH"	68.994688
"165078"	1867.24424	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2K-H"	76.91904
"610106"	2762.40684	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2K-H"	76.91904
"1098752"	972.08164	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K-H"	76.91904
"155568"	934.125758	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2K"	77.926316
"595736"	1381.707058	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2K"	77.926316
"1082071"	486.544458	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K"	77.926316
"1110910"	974.096192	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K+H"	78.933592
"1344014"	974.183807	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+DMSO+H"	79.021207
"1012542"	978.222976	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2ACN+H"	83.060376
"1533945"	979.216608	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+IsoProp+Na+H"	84.054008
"998206"	489.615126	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2ACN+2H"	84.067652
"1592710"	980.131228	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K+HCOOH"	84.968628
"1426024"	1010.162738	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+CF3COOH"	115.000138
"1151937"	510.128401	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3ACN+2H"	125.094202
"1701489"	1027.189285	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4+CF3COOH"	132.026685
"1634955"	1032.14468	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+CF3COOH"	136.98208
"1581544"	1048.11862	"C16273"	"3-Hydroxy-5-oxohexanoyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K+CF3COOH"	152.95602
"816958"	600.4179	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M"	0
"986538"	581.39951	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"74781"	399.271324	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"518421"	599.410624	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"895061"	199.132024	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"13634"	599.410624	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"453559"	899.619574	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"829171"	299.201674	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"84789"	1199.828524	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"522163"	1800.246424	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"901057"	599.410624	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"49965"	1216.855071	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"492807"	1817.272971	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"870609"	616.437171	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"41791"	1221.810466	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"479165"	1822.228366	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"863170"	621.392566	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1630879"	621.392566	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"107784"	617.398963	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"547710"	917.607913	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"940495"	317.190013	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"281239"	1235.805202	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"675325"	1836.223102	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1286794"	635.387302	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"23156"	1237.784406	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"460529"	1838.202306	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"839421"	637.366506	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1559992"	637.366506	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"949702"	645.416094	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"369009"	1245.834001	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"355079"	1259.849651	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1502820"	659.431751	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"969268"	667.398051	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"117081"	635.387302	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"558830"	935.596252	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1035287"	335.178352	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1251583"	679.336785	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1319506"	681.392772	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1334815"	703.374729	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"926239"	713.403486	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1302583"	749.380164	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1376371"	565.405224	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1393867"	583.4152	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"293554"	1201.843076	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"688163"	1802.260976	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1363416"	601.425176	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"137402"	601.425176	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"576961"	901.634126	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1045761"	301.216226	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"215849"	401.285876	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"653225"	601.425176	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1173535"	201.146576	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"436809"	1218.869623	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"788329"	1819.287523	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1689763"	618.451723	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"341322"	609.9384495	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"729370"	910.1473995	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1486470"	309.7294995	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"397494"	1223.825018	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"768332"	1824.242918	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1608775"	623.407118	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"325376"	612.416147	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"719993"	912.625097	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1476404"	312.207197	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1066694"	208.47389	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1270923"	633.451386	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"389498"	1239.798958	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"747216"	1840.216858	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1551456"	639.381058	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"307539"	620.403117	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"696677"	920.612067	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1453778"	320.194167	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"241289"	1242.869626	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1210303"	642.451726	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1194962"	321.729501	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"191846"	1245.80696	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"633592"	1846.22486	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1138191"	645.38906	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"180388"	623.407118	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"618857"	923.616068	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1120175"	323.198168	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1409166"	215.801204	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1443470"	647.430646	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"230976"	628.44014	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1522319"	661.48269	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"418726"	631.394088	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"776441"	931.603038	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1679341"	331.185138	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"262944"	1264.851568	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1238567"	664.433668	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1723079"	664.457193	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1192077"	223.128518	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1660514"	669.412588	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"166280"	1277.75484	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"612164"	1878.17274	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1098865"	677.33694	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"152640"	639.381058	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"595608"	939.590008	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1083641"	339.172108	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1111749"	679.351492	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1348134"	679.439107	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1018119"	683.478276	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1529682"	684.471908	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"997223"	342.242776	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1593913"	685.386528	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1426134"	715.418038	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1150956"	362.756051	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1700506"	732.444585	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1634701"	737.39998	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1578374"	753.37392	"C16274"	"(2S2S)-Oscillol"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"815792"	892.5337	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M"	0
"983368"	873.51531	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-H2O-H"	-19.01839
"76714"	594.015190666667	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M-3H"	-3.021828
"518417"	891.526424	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M-3H"	-3.021828
"894076"	296.503957333333	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-3H"	-3.021828
"13502"	891.526424	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M-2H"	-2.014552
"451482"	1337.793274	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M-2H"	-2.014552
"826001"	445.259574	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-2H"	-2.014552
"84899"	1784.060124	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M-H"	-1.007276
"519960"	2676.593824	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M-H"	-1.007276
"898249"	891.526424	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-H"	-1.007276
"50074"	1801.086671	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M-2H+NH4"	16.019271
"492917"	2693.620371	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M-2H+NH4"	16.019271
"870719"	908.552971	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-2H+NH4"	16.019271
"38621"	1806.042066	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M-2H+Na"	20.974666
"479275"	2698.575766	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M-2H+Na"	20.974666
"860362"	913.508366	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-2H+Na"	20.974666
"1630989"	913.508366	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Na-2H"	20.974666
"107894"	909.514763	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M-H+Cl"	33.962126
"549602"	1355.781613	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M-H+Cl"	33.962126
"939511"	463.247913	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-H+Cl"	33.962126
"278433"	1820.036802	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+Cl"	34.969402
"675193"	2712.570502	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+Cl"	34.969402
"1286904"	927.503102	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Cl"	34.969402
"22173"	1822.016006	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M-2H+K"	36.948606
"459548"	2714.549706	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M-2H+K"	36.948606
"836616"	929.482306	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-2H+K"	36.948606
"1559741"	929.482306	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+K-2H"	36.948606
"948719"	937.531894	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-H+HCOOH"	44.998194
"372402"	1830.065601	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+HCOOH-H"	44.998201
"354827"	1844.081251	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+Hac-H"	59.013851
"1499650"	951.547551	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Hac-H"	59.013851
"967920"	959.513851	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-H+NaCOOH"	66.980151
"116096"	927.503102	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+2Cl"	69.938804
"556755"	1373.769952	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+2Cl"	69.938804
"1032845"	481.236252	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2Cl"	69.938804
"1251693"	971.452585	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Br"	78.918885
"1318885"	973.508572	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Cl+HCOOH"	80.974872
"1334195"	995.490529	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Cl+NaCOOH"	102.956829
"919422"	1005.519286	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M-H+CF3COOH"	112.985586
"1301598"	1041.495964	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Cl+CF3COOH"	148.962264
"1373200"	857.521024	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H-2H2O"	-35.012676
"1389603"	875.531	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H-H2O"	-17.0027
"291476"	1786.074676	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+H"	1.007276
"687179"	2678.608376	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+H"	1.007276
"1364621"	893.540976	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H"	1.007276
"134229"	893.540976	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+2H"	2.014552
"570507"	1339.807826	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+2H"	2.014552
"1044778"	447.274126	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2H"	2.014552
"217053"	596.029742666667	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+3H"	3.021828
"654429"	893.540976	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+3H"	3.021828
"1173646"	298.518509333333	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+3H"	3.021828
"436919"	1803.101223	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+NH4"	18.033823
"796822"	2695.634923	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+NH4"	18.033823
"1686593"	910.567523	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+NH4"	18.033823
"341432"	902.0542495	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+H+NH4"	19.041099
"729480"	1348.3210995	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+H+NH4"	19.041099
"1488769"	455.7873995	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H+NH4"	19.041099
"400884"	1808.056618	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+Na"	22.989218
"762973"	2700.590318	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+Na"	22.989218
"1608885"	915.522918	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Na"	22.989218
"324393"	904.531947	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+H+Na"	23.996494
"720468"	1350.798797	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+H+Na"	23.996494
"1474770"	458.265097	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H+Na"	23.996494
"1066439"	305.845823333333	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2H+Na"	25.00377
"1269211"	925.567186	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+CH3OH+H"	33.033486
"389608"	1824.030558	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+K"	38.963158
"748420"	2716.564258	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+K"	38.963158
"1554485"	931.496858	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+K"	38.963158
"303275"	912.518917	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+H+K"	39.970434
"694600"	1358.785767	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+H+K"	39.970434
"1451701"	466.252067	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H+K"	39.970434
"242491"	1827.101226	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+ACN+H"	42.033826
"1210822"	934.567526	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+ACN+H"	42.033826
"1195803"	467.787401	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+ACN+2H"	43.041102
"190859"	1830.03856	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+2Na-H"	44.97116
"632243"	2722.57226	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+2Na-H"	44.97116
"1137936"	937.50486	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2Na-H"	44.97116
"182684"	915.522918	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+2Na"	45.978436
"618966"	1361.789768	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+2Na"	45.978436
"1122472"	469.256068	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2Na"	45.978436
"1412556"	313.173137333333	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H+2Na"	46.985712
"1443578"	939.546446	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H+HCOOH"	47.012746
"232179"	920.55594	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+3H2O+2H"	56.04448
"1522430"	953.59849	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+IsoProp+H"	61.06479
"412639"	923.509888	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+Na+K"	61.952376
"775091"	1369.776738	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+Na+K"	61.952376
"1678357"	477.243038	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Na+K"	61.952376
"263054"	1849.083168	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+ACN+Na"	64.015768
"1241070"	956.549468	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+ACN+Na"	64.015768
"1728297"	956.572993	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+NH4+HCOOH"	64.039293
"1192553"	320.500451333333	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+3Na"	68.967654
"1663906"	961.528388	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Na+HCOOH"	68.994688
"168579"	1861.98644	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+2K-H"	76.91904
"611908"	2754.52014	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+2K-H"	76.91904
"1098120"	969.45274	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2K-H"	76.91904
"156518"	931.496858	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"2M+2K"	77.926316
"596687"	1377.763708	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"3M+2K"	77.926316
"1083144"	485.230008	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2K"	77.926316
"1108944"	971.467292	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2K+H"	78.933592
"1348243"	971.554907	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+DMSO+H"	79.021207
"1019323"	975.594076	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2ACN+H"	83.060376
"1535258"	976.587708	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+IsoProp+Na+H"	84.054008
"998426"	488.300676	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+2ACN+2H"	84.067652
"1598397"	977.502328	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+K+HCOOH"	84.968628
"1427337"	1007.533838	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+H+CF3COOH"	115.000138
"1149243"	508.813951	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+3ACN+2H"	125.094202
"1700616"	1024.560385	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+NH4+CF3COOH"	132.026685
"1635176"	1029.51578	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+Na+CF3COOH"	136.98208
"1578484"	1045.48972	"C16275"	"(2S2S)-Oscillol 22-di(alpha-L-fucoside)"	"C52H76O12"	"892.5337"	"M+K+CF3COOH"	152.95602
"814320"	536.4382	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M"	0
"981291"	517.41981	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"76824"	356.618190666667	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"518294"	535.430924	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"893457"	177.805457333333	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"12031"	535.430924	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"451592"	803.650024	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"819550"	267.211824	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"85009"	1071.869124	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"520558"	1608.307324	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"901276"	535.430924	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"50184"	1088.895671	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"496308"	1625.333871	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"867181"	552.457471	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"42012"	1093.851066	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"476105"	1630.289266	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"857191"	557.412866	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1628913"	557.412866	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"108734"	553.419263	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"549315"	821.638363	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"940715"	285.200163	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"280730"	1107.845802	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"674859"	1644.284002	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1287506"	571.407602	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"23376"	1109.825006	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"462938"	1646.263206	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"835268"	573.386806	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1562035"	573.386806	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"945549"	581.436394	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"369232"	1117.874601	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"352021"	1131.890251	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1497573"	595.452051	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"962198"	603.418351	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"116207"	571.407602	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"559052"	839.626702	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1034415"	303.188502	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1250710"	615.357085	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1318632"	617.413072	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1333576"	639.395029	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"923906"	649.423786	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1300615"	685.400464	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1373310"	501.425524	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1391900"	519.4355	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"290493"	1073.883676	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"688384"	1610.321876	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1363274"	537.445476	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H"	1.007276
"134339"	537.445476	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"572804"	805.664576	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1047075"	269.226376	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"214977"	358.632742666667	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"653445"	537.445476	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1173756"	179.820009333333	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"437394"	1090.910223	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"790371"	1627.348423	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1688889"	554.472023	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"334982"	545.9587495	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"729591"	814.1778495	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1492038"	277.7396495	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"396983"	1095.865618	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"763083"	1632.303818	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1607171"	559.427418	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"317940"	548.436447	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"721306"	816.655547	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1475975"	280.217347	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1068007"	187.147323333333	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1268594"	569.471686	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"389354"	1111.839558	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"748529"	1648.277758	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1551676"	575.401358	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+K"	38.963158
"304477"	556.423417	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"697262"	824.642517	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1453998"	288.204317	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"242601"	1114.910226	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1210813"	578.472026	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1195302"	289.739651	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"190605"	1117.84756	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"631258"	1654.28576	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1136225"	581.40936	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"180607"	559.427418	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"616887"	827.646518	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1122581"	291.208318	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1405013"	194.474637333333	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1440409"	583.450946	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"230102"	564.46044	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1520353"	597.50299	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"413478"	567.414388	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"776659"	835.633488	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1678467"	299.195288	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"262798"	1136.892168	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1236599"	600.453968	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1724391"	600.477493	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1192541"	201.801951333333	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1661828"	605.432888	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"166502"	1149.79544	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"611409"	1686.23364	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1098233"	613.35724	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"155414"	575.401358	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"595946"	843.620458	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1081675"	307.182258	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1107959"	615.371792	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1341063"	615.459407	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1017245"	619.498576	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1534275"	620.492208	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"1000721"	310.252926	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1593039"	621.406828	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1424166"	651.438338	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1148988"	330.766201	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1699997"	668.464885	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1634556"	673.42028	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1578594"	689.39422	"C16276"	"epsilon-Carotene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"813337"	582.4437	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M"	0
"983588"	563.42531	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-H2O-H"	-19.01839
"76205"	387.288524	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M-3H"	-3.021828
"518162"	581.436424	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M-3H"	-3.021828
"894660"	193.140624	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-3H"	-3.021828
"12141"	581.436424	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M-2H"	-2.014552
"452796"	872.658274	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M-2H"	-2.014552
"826221"	290.214574	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-2H"	-2.014552
"85119"	1163.880124	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M-H"	-1.007276
"521761"	1746.323824	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M-H"	-1.007276
"901386"	581.436424	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-H"	-1.007276
"51388"	1180.906671	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M-2H+NH4"	16.019271
"496418"	1763.350371	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M-2H+NH4"	16.019271
"867658"	598.462971	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-2H+NH4"	16.019271
"38842"	1185.862066	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M-2H+Na"	20.974666
"477308"	1768.305766	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M-2H+Na"	20.974666
"854020"	603.418366	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-2H+Na"	20.974666
"1629023"	603.418366	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Na-2H"	20.974666
"109454"	599.424763	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M-H+Cl"	33.962126
"549147"	890.646613	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M-H+Cl"	33.962126
"942538"	308.202913	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-H+Cl"	33.962126
"282717"	1199.856802	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+Cl"	34.969402
"675218"	1782.300502	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+Cl"	34.969402
"1287492"	617.413102	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Cl"	34.969402
"24579"	1201.836006	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M-2H+K"	36.948606
"466329"	1784.279706	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M-2H+K"	36.948606
"843037"	619.392306	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-2H+K"	36.948606
"1562150"	619.392306	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+K-2H"	36.948606
"954410"	627.441894	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-H+HCOOH"	44.998194
"369342"	1209.885601	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+HCOOH-H"	44.998201
"353955"	1223.901251	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+Hac-H"	59.013851
"1502057"	641.457551	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Hac-H"	59.013851
"963765"	649.423851	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-H+NaCOOH"	66.980151
"120691"	617.413102	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+2Cl"	69.938804
"556974"	908.634952	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+2Cl"	69.938804
"1036877"	326.191252	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2Cl"	69.938804
"1254100"	661.362585	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Br"	78.918885
"1319591"	663.418572	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Cl+HCOOH"	80.974872
"1335472"	685.400529	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Cl+NaCOOH"	102.956829
"926896"	695.429286	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M-H+CF3COOH"	112.985586
"1302916"	731.405964	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Cl+CF3COOH"	148.962264
"1373420"	547.431024	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H-2H2O"	-35.012676
"1396263"	565.441	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H-H2O"	-17.0027
"296071"	1165.894676	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+H"	1.007276
"690559"	1748.338376	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+H"	1.007276
"1366786"	583.450976	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H"	1.007276
"140647"	583.450976	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+2H"	2.014552
"578383"	874.672826	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+2H"	2.014552
"1052372"	292.229126	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2H"	2.014552
"219460"	389.303076	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+3H"	3.021828
"659023"	583.450976	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+3H"	3.021828
"1177999"	195.155176	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+3H"	3.021828
"438232"	1182.921223	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+NH4"	18.033823
"792668"	1765.364923	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+NH4"	18.033823
"1690092"	600.477523	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+NH4"	18.033823
"338372"	591.9642495	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+H+NH4"	19.041099
"730794"	883.1860995	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+H+NH4"	19.041099
"1485709"	300.7423995	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H+NH4"	19.041099
"397094"	1187.876618	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+Na"	22.989218
"763194"	1770.320318	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+Na"	22.989218
"1607282"	605.432918	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Na"	22.989218
"321330"	594.441947	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+H+Na"	23.996494
"721660"	885.663797	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+H+Na"	23.996494
"1476092"	303.220097	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H+Na"	23.996494
"1065575"	202.48249	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2H+Na"	25.00377
"1271866"	615.477186	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+CH3OH+H"	33.033486
"391653"	1203.850558	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+K"	38.963158
"753014"	1786.294258	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+K"	38.963158
"1553245"	621.406858	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+K"	38.963158
"312608"	602.428917	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+H+K"	39.970434
"699197"	893.650767	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+H+K"	39.970434
"1454841"	311.207067	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H+K"	39.970434
"243807"	1206.921226	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+ACN+H"	42.033826
"1211533"	624.477526	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+ACN+H"	42.033826
"1195291"	312.742401	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+ACN+2H"	43.041102
"190715"	1209.85856	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+2Na-H"	44.97116
"631734"	1792.30226	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+2Na-H"	44.97116
"1134511"	627.41486	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2Na-H"	44.97116
"181812"	605.432918	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+2Na"	45.978436
"615904"	896.654768	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+2Na"	45.978436
"1120505"	314.211068	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2Na"	45.978436
"1408403"	209.809804	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H+2Na"	46.985712
"1438331"	629.456446	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H+HCOOH"	47.012746
"229849"	610.46594	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+3H2O+2H"	56.04448
"1513170"	643.50849	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+IsoProp+H"	61.06479
"410671"	613.419888	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+Na+K"	61.952376
"774217"	904.641738	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+Na+K"	61.952376
"1678944"	322.198038	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Na+K"	61.952376
"262908"	1228.903168	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+ACN+Na"	64.015768
"1236709"	646.459468	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+ACN+Na"	64.015768
"1722314"	646.482993	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+NH4+HCOOH"	64.039293
"1193136"	217.137118	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+3Na"	68.967654
"1661938"	651.438388	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Na+HCOOH"	68.994688
"167705"	1241.80644	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+2K-H"	76.91904
"610184"	1824.25014	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+2K-H"	76.91904
"1097250"	659.36274	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2K-H"	76.91904
"153704"	621.406858	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"2M+2K"	77.926316
"593631"	912.628708	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"3M+2K"	77.926316
"1081420"	330.185008	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2K"	77.926316
"1110255"	661.377292	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2K+H"	78.933592
"1343359"	661.464907	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+DMSO+H"	79.021207
"1014075"	665.504076	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2ACN+H"	83.060376
"1530011"	666.497708	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+IsoProp+Na+H"	84.054008
"999739"	333.255676	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+2ACN+2H"	84.067652
"1593149"	667.412328	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+K+HCOOH"	84.968628
"1422089"	697.443838	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+H+CF3COOH"	115.000138
"1148369"	353.768951	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+3ACN+2H"	125.094202
"1699743"	714.470385	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+NH4+CF3COOH"	132.026685
"1634909"	719.42578	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+Na+CF3COOH"	136.98208
"1581984"	735.39972	"C16277"	"Rg-Keto I"	"C41H58O2"	"582.4437"	"M+K+CF3COOH"	152.95602
"812353"	628.4492	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M"	0
"981511"	609.43081	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-H2O-H"	-19.01839
"76315"	417.958857333333	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M-3H"	-3.021828
"516969"	627.441924	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M-3H"	-3.021828
"894406"	208.475790666667	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-3H"	-3.021828
"11887"	627.441924	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M-2H"	-2.014552
"448531"	941.666524	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M-2H"	-2.014552
"819770"	313.217324	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-2H"	-2.014552
"83039"	1255.891124	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M-H"	-1.007276
"522964"	1884.340324	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M-H"	-1.007276
"900400"	627.441924	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-H"	-1.007276
"50405"	1272.917671	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M-2H+NH4"	16.019271
"493248"	1901.366871	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M-2H+NH4"	16.019271
"866672"	644.468471	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-2H+NH4"	16.019271
"35671"	1277.873066	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M-2H+Na"	20.974666
"476325"	1906.322266	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M-2H+Na"	20.974666
"855221"	649.423866	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-2H+Na"	20.974666
"1626946"	649.423866	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Na-2H"	20.974666
"108219"	645.430263	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M-H+Cl"	33.962126
"548891"	959.654863	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M-H+Cl"	33.962126
"942040"	331.205663	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-H+Cl"	33.962126
"282541"	1291.867802	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+Cl"	34.969402
"674961"	1920.317002	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+Cl"	34.969402
"1287722"	663.418602	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Cl"	34.969402
"29795"	1293.847006	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M-2H+K"	36.948606
"464253"	1922.296206	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M-2H+K"	36.948606
"842054"	665.397806	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-2H+K"	36.948606
"1565540"	665.397806	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+K-2H"	36.948606
"953060"	673.447394	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-H+HCOOH"	44.998194
"372005"	1301.896601	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+HCOOH-H"	44.998201
"354429"	1315.912251	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+Hac-H"	59.013851
"1502167"	687.463051	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Hac-H"	59.013851
"964240"	695.429351	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-H+NaCOOH"	66.980151
"117522"	663.418602	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+2Cl"	69.938804
"554898"	977.643202	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+2Cl"	69.938804
"1036458"	349.194002	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2Cl"	69.938804
"1253846"	707.368085	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Br"	78.918885
"1319852"	709.424072	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Cl+HCOOH"	80.974872
"1335561"	731.406029	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Cl+NaCOOH"	102.956829
"926561"	741.434786	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M-H+CF3COOH"	112.985586
"1299747"	777.411464	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Cl+CF3COOH"	148.962264
"1380092"	593.436524	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H-2H2O"	-35.012676
"1397835"	611.4465	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H-H2O"	-17.0027
"297275"	1257.905676	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+H"	1.007276
"690790"	1886.354876	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+H"	1.007276
"1366895"	629.456476	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H"	1.007276
"141121"	629.456476	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+2H"	2.014552
"578493"	943.681076	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+2H"	2.014552
"1051670"	315.231876	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2H"	2.014552
"218964"	419.973409333333	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+3H"	3.021828
"656583"	629.456476	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+3H"	3.021828
"1176408"	210.490342666667	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+3H"	3.021828
"438586"	1274.932223	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+NH4"	18.033823
"792777"	1903.381423	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+NH4"	18.033823
"1690201"	646.483023	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+NH4"	18.033823
"336296"	637.9697495	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+H+NH4"	19.041099
"729445"	952.1943495	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+H+NH4"	19.041099
"1485819"	323.7451495	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H+NH4"	19.041099
"404496"	1279.887618	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+Na"	22.989218
"763303"	1908.336818	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+Na"	22.989218
"1608484"	651.438418	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Na"	22.989218
"321440"	640.447447	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+H+Na"	23.996494
"720432"	954.672047	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+H+Na"	23.996494
"1476241"	326.222847	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H+Na"	23.996494
"1067503"	217.817656666667	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2H+Na"	25.00377
"1271367"	661.482686	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+CH3OH+H"	33.033486
"392006"	1295.861558	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+K"	38.963158
"752396"	1924.310758	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+K"	38.963158
"1551897"	667.412358	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+K"	38.963158
"310164"	648.434417	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+H+K"	39.970434
"702589"	962.659017	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+H+K"	39.970434
"1457866"	334.209817	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H+K"	39.970434
"246104"	1298.932226	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+ACN+H"	42.033826
"1212735"	670.483026	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+ACN+H"	42.033826
"1195401"	335.745151	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+ACN+2H"	43.041102
"190825"	1301.86956	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+2Na-H"	44.97116
"632937"	1930.31876	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+2Na-H"	44.97116
"1134985"	673.42036	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2Na-H"	44.97116
"181922"	651.438418	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+2Na"	45.978436
"617838"	965.663018	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+2Na"	45.978436
"1119884"	337.213818	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2Na"	45.978436
"1406326"	225.144970666667	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H+2Na"	46.985712
"1435161"	675.461946	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H+HCOOH"	47.012746
"228136"	656.47144	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+3H2O+2H"	56.04448
"1512916"	689.51399	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+IsoProp+H"	61.06479
"410781"	659.425388	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+Na+K"	61.952376
"773963"	973.649988	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+Na+K"	61.952376
"1680146"	345.200788	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Na+K"	61.952376
"263016"	1320.914168	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+ACN+Na"	64.015768
"1239005"	692.464968	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+ACN+Na"	64.015768
"1720237"	692.488493	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+NH4+HCOOH"	64.039293
"1191058"	232.472284666667	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+3Na"	68.967654
"1662048"	697.443888	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Na+HCOOH"	68.994688
"168908"	1333.81744	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+2K-H"	76.91904
"609562"	1962.26664	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+2K-H"	76.91904
"1098089"	705.36824	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2K-H"	76.91904
"155393"	667.412358	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"2M+2K"	77.926316
"594228"	981.636958	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"3M+2K"	77.926316
"1082623"	353.187758	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2K"	77.926316
"1107084"	707.382792	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2K+H"	78.933592
"1341282"	707.470407	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+DMSO+H"	79.021207
"1014185"	711.509576	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2ACN+H"	83.060376
"1531214"	712.503208	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+IsoProp+Na+H"	84.054008
"997661"	356.258426	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+2ACN+2H"	84.067652
"1592165"	713.417828	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+K+HCOOH"	84.968628
"1423293"	743.449338	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+H+CF3COOH"	115.000138
"1148479"	376.771701	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+3ACN+2H"	125.094202
"1699489"	760.475885	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+NH4+CF3COOH"	132.026685
"1635141"	765.43128	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+Na+CF3COOH"	136.98208
"1582094"	781.40522	"C16278"	"Rg-Keto III"	"C42H60O4"	"628.4492"	"M+K+CF3COOH"	152.95602
"809182"	582.4437	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M"	0
"981621"	563.42531	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-H2O-H"	-19.01839
"74238"	387.288524	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M-3H"	-3.021828
"510518"	581.436424	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M-3H"	-3.021828
"890507"	193.140624	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-3H"	-3.021828
"7985"	581.436424	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M-2H"	-2.014552
"448639"	872.658274	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M-2H"	-2.014552
"819877"	290.214574	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-2H"	-2.014552
"84242"	1163.880124	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M-H"	-1.007276
"522710"	1746.323824	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M-H"	-1.007276
"899051"	581.436424	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-H"	-1.007276
"51972"	1180.906671	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M-2H+NH4"	16.019271
"491170"	1763.350371	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M-2H+NH4"	16.019271
"868967"	598.462971	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-2H+NH4"	16.019271
"35047"	1185.862066	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M-2H+Na"	20.974666
"474245"	1768.305766	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M-2H+Na"	20.974666
"853143"	603.418366	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-2H+Na"	20.974666
"1622674"	603.418366	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Na-2H"	20.974666
"107964"	599.424763	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M-H+Cl"	33.962126
"549810"	890.646613	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M-H+Cl"	33.962126
"942015"	308.202913	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-H+Cl"	33.962126
"282767"	1199.856802	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+Cl"	34.969402
"674816"	1782.300502	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+Cl"	34.969402
"1287341"	617.413102	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Cl"	34.969402
"30261"	1201.836006	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M-2H+K"	36.948606
"462171"	1784.279706	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M-2H+K"	36.948606
"836691"	619.392306	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-2H+K"	36.948606
"1557990"	619.392306	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+K-2H"	36.948606
"948061"	627.441894	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-H+HCOOH"	44.998194
"364087"	1209.885601	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+HCOOH-H"	44.998201
"349066"	1223.901251	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+Hac-H"	59.013851
"1494620"	641.457551	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Hac-H"	59.013851
"962160"	649.423851	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-H+NaCOOH"	66.980151
"115076"	617.413102	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+2Cl"	69.938804
"552819"	908.634952	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+2Cl"	69.938804
"1032190"	326.191252	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2Cl"	69.938804
"1249945"	661.362585	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Br"	78.918885
"1316405"	663.418572	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Cl+HCOOH"	80.974872
"1333176"	685.400529	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Cl+NaCOOH"	102.956829
"926428"	695.429286	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M-H+CF3COOH"	112.985586
"1303741"	731.405964	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Cl+CF3COOH"	148.962264
"1373640"	547.431024	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H-2H2O"	-35.012676
"1394415"	565.441	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H-H2O"	-17.0027
"296289"	1165.894676	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+H"	1.007276
"691265"	1748.338376	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+H"	1.007276
"1358499"	583.450976	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H"	1.007276
"132482"	583.450976	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+2H"	2.014552
"577510"	874.672826	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+2H"	2.014552
"1052591"	292.229126	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2H"	2.014552
"217130"	389.303076	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+3H"	3.021828
"652681"	583.450976	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+3H"	3.021828
"1174086"	195.155176	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+3H"	3.021828
"434078"	1182.921223	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+NH4"	18.033823
"785875"	1765.364923	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+NH4"	18.033823
"1684477"	600.477523	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+NH4"	18.033823
"330932"	591.9642495	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+H+NH4"	19.041099
"724083"	883.1860995	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+H+NH4"	19.041099
"1479362"	300.7423995	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H+NH4"	19.041099
"395126"	1187.876618	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+Na"	22.989218
"758308"	1770.320318	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+Na"	22.989218
"1602779"	605.432918	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Na"	22.989218
"318632"	594.441947	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+H+Na"	23.996494
"722002"	885.663797	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+H+Na"	23.996494
"1476187"	303.220097	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H+Na"	23.996494
"1068221"	202.48249	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2H+Na"	25.00377
"1271474"	615.477186	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+CH3OH+H"	33.033486
"392239"	1203.850558	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+K"	38.963158
"753885"	1786.294258	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+K"	38.963158
"1554194"	621.406858	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+K"	38.963158
"312827"	602.428917	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+H+K"	39.970434
"706265"	893.650767	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+H+K"	39.970434
"1460651"	311.207067	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H+K"	39.970434
"249739"	1206.921226	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+ACN+H"	42.033826
"1213090"	624.477526	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+ACN+H"	42.033826
"1198064"	312.742401	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+ACN+2H"	43.041102
"190571"	1209.85856	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+2Na-H"	44.97116
"633412"	1792.30226	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+2Na-H"	44.97116
"1134001"	627.41486	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2Na-H"	44.97116
"180939"	605.432918	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+2Na"	45.978436
"619040"	896.654768	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+2Na"	45.978436
"1122181"	314.211068	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2Na"	45.978436
"1408623"	209.809804	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H+2Na"	46.985712
"1436364"	629.456446	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H+HCOOH"	47.012746
"228246"	610.46594	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+3H2O+2H"	56.04448
"1513390"	643.50849	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+IsoProp+H"	61.06479
"412713"	613.419888	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+Na+K"	61.952376
"773709"	904.641738	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+Na+K"	61.952376
"1677704"	322.198038	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Na+K"	61.952376
"260939"	1228.903168	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+ACN+Na"	64.015768
"1235834"	646.459468	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+ACN+Na"	64.015768
"1724720"	646.482993	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+NH4+HCOOH"	64.039293
"1185701"	217.137118	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+3Na"	68.967654
"1662158"	651.438388	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Na+HCOOH"	68.994688
"167925"	1241.80644	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+2K-H"	76.91904
"608578"	1824.25014	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+2K-H"	76.91904
"1098439"	659.36274	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2K-H"	76.91904
"156109"	621.406858	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"2M+2K"	77.926316
"596036"	912.628708	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"3M+2K"	77.926316
"1083097"	330.185008	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2K"	77.926316
"1108287"	661.377292	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2K+H"	78.933592
"1341391"	661.464907	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+DMSO+H"	79.021207
"1012108"	665.504076	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2ACN+H"	83.060376
"1533511"	666.497708	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+IsoProp+Na+H"	84.054008
"995584"	333.255676	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+2ACN+2H"	84.067652
"1591182"	667.412328	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+K+HCOOH"	84.968628
"1423403"	697.443838	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+H+CF3COOH"	115.000138
"1147495"	353.768951	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+3ACN+2H"	125.094202
"1699964"	714.470385	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+NH4+CF3COOH"	132.026685
"1634887"	719.42578	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+Na+CF3COOH"	136.98208
"1582204"	735.39972	"C16279"	"Thiothece-474"	"C41H58O2"	"582.4437"	"M+K+CF3COOH"	152.95602
"809292"	578.4124	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M"	0
"982824"	559.39401	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-H2O-H"	-19.01839
"73255"	384.600990666667	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M-3H"	-3.021828
"510628"	577.405124	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M-3H"	-3.021828
"889523"	191.796857333333	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-3H"	-3.021828
"8095"	577.405124	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M-2H"	-2.014552
"445470"	866.611324	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M-2H"	-2.014552
"822172"	288.198924	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-2H"	-2.014552
"81072"	1155.817524	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M-H"	-1.007276
"522819"	1734.229924	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M-H"	-1.007276
"899527"	577.405124	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-H"	-1.007276
"51715"	1172.844071	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M-2H+NH4"	16.019271
"489091"	1751.256471	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M-2H+NH4"	16.019271
"867986"	594.431671	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-2H+NH4"	16.019271
"34793"	1177.799466	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M-2H+Na"	20.974666
"472532"	1756.211866	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M-2H+Na"	20.974666
"849284"	599.387066	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-2H+Na"	20.974666
"1622784"	599.387066	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Na-2H"	20.974666
"107711"	595.393463	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M-H+Cl"	33.962126
"549679"	884.599663	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M-H+Cl"	33.962126
"942611"	306.187263	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-H+Cl"	33.962126
"282513"	1191.794202	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+Cl"	34.969402
"674316"	1770.206602	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+Cl"	34.969402
"1285627"	613.381802	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Cl"	34.969402
"29278"	1193.773406	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M-2H+K"	36.948606
"459001"	1772.185806	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M-2H+K"	36.948606
"834976"	615.361006	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-2H+K"	36.948606
"1557372"	615.361006	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+K-2H"	36.948606
"945984"	623.410594	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-H+HCOOH"	44.998194
"362740"	1201.823001	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+HCOOH-H"	44.998201
"348083"	1215.838651	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+Hac-H"	59.013851
"1499101"	637.426251	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Hac-H"	59.013851
"962270"	645.392551	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-H+NaCOOH"	66.980151
"114822"	613.381802	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+2Cl"	69.938804
"553293"	902.588002	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+2Cl"	69.938804
"1022823"	324.175602	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2Cl"	69.938804
"1242763"	657.331285	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Br"	78.918885
"1313597"	659.387272	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Cl+HCOOH"	80.974872
"1332192"	681.369229	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Cl+NaCOOH"	102.956829
"926538"	691.397986	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M-H+CF3COOH"	112.985586
"1304012"	727.374664	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Cl+CF3COOH"	148.962264
"1373750"	543.399724	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H-2H2O"	-35.012676
"1395618"	561.4097	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H-H2O"	-17.0027
"296399"	1157.832076	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+H"	1.007276
"690646"	1736.244476	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+H"	1.007276
"1357516"	579.419676	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H"	1.007276
"130769"	579.419676	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+2H"	2.014552
"569965"	868.625876	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+2H"	2.014552
"1052501"	290.213476	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2H"	2.014552
"216511"	386.615542666667	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+3H"	3.021828
"658016"	579.419676	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+3H"	3.021828
"1173103"	193.811409333333	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+3H"	3.021828
"434188"	1174.858623	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+NH4"	18.033823
"788257"	1753.271023	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+NH4"	18.033823
"1683128"	596.446223	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+NH4"	18.033823
"332500"	587.9329495	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+H+NH4"	19.041099
"723707"	877.1391495	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+H+NH4"	19.041099
"1478379"	298.7267495	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H+NH4"	19.041099
"395236"	1179.814018	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+Na"	22.989218
"758418"	1758.226418	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+Na"	22.989218
"1603598"	601.401618	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Na"	22.989218
"316920"	590.410647	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+H+Na"	23.996494
"720653"	879.616847	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+H+Na"	23.996494
"1474472"	301.204447	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H+Na"	23.996494
"1066262"	201.138723333333	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2H+Na"	25.00377
"1270488"	611.445886	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+CH3OH+H"	33.033486
"391985"	1195.787958	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+K"	38.963158
"753954"	1774.200358	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+K"	38.963158
"1555473"	617.375558	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+K"	38.963158
"313665"	598.397617	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+H+K"	39.970434
"706698"	887.603817	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+H+K"	39.970434
"1459910"	309.191417	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H+K"	39.970434
"249240"	1198.858626	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+ACN+H"	42.033826
"1212472"	620.446226	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+ACN+H"	42.033826
"1197080"	310.726751	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+ACN+2H"	43.041102
"192138"	1201.79596	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+2Na-H"	44.97116
"633886"	1780.20836	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+2Na-H"	44.97116
"1134111"	623.38356	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2Na-H"	44.97116
"181049"	601.401618	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+2Na"	45.978436
"618058"	890.607818	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+2Na"	45.978436
"1121199"	312.195418	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2Na"	45.978436
"1406546"	208.466037333333	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H+2Na"	46.985712
"1436474"	625.425146	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H+HCOOH"	47.012746
"227262"	606.43464	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+3H2O+2H"	56.04448
"1515323"	639.47719	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+IsoProp+H"	61.06479
"411001"	609.388588	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+Na+K"	61.952376
"774912"	898.594788	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+Na+K"	61.952376
"1677814"	320.182388	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Na+K"	61.952376
"259956"	1220.840568	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+ACN+Na"	64.015768
"1229748"	642.428168	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+ACN+Na"	64.015768
"1720456"	642.451693	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+NH4+HCOOH"	64.039293
"1185811"	215.793351333333	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+3Na"	68.967654
"1657890"	647.407088	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Na+HCOOH"	68.994688
"165847"	1233.74384	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+2K-H"	76.91904
"607594"	1812.15624	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+2K-H"	76.91904
"1094292"	655.33144	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2K-H"	76.91904
"153297"	617.375558	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"2M+2K"	77.926316
"592859"	906.581758	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"3M+2K"	77.926316
"1078464"	328.169358	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2K"	77.926316
"1113497"	657.345992	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2K+H"	78.933592
"1348791"	657.433607	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+DMSO+H"	79.021207
"1014404"	661.472776	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2ACN+H"	83.060376
"1533621"	662.466408	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+IsoProp+Na+H"	84.054008
"996788"	331.240026	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+2ACN+2H"	84.067652
"1592385"	663.381028	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+K+HCOOH"	84.968628
"1421326"	693.412538	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+H+CF3COOH"	115.000138
"1147605"	351.753301	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+3ACN+2H"	125.094202
"1700074"	710.439085	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+NH4+CF3COOH"	132.026685
"1637913"	715.39448	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+Na+CF3COOH"	136.98208
"1579034"	731.36842	"C16280"	"Okenone"	"C41H54O2"	"578.4124"	"M+K+CF3COOH"	152.95602
"809402"	137.0299	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M"	0
"981841"	118.01151	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-H2O-H"	-19.01839
"74458"	90.3459906666667	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M-3H"	-3.021828
"514018"	136.022624	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M-3H"	-3.021828
"892914"	44.6693573333333	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-3H"	-3.021828
"10394"	136.022624	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M-2H"	-2.014552
"446673"	204.537574	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M-2H"	-2.014552
"818638"	67.507674	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-2H"	-2.014552
"79724"	273.052524	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M-H"	-1.007276
"520014"	410.082424	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M-H"	-1.007276
"897815"	136.022624	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-H"	-1.007276
"49640"	290.079071	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M-2H+NH4"	16.019271
"490295"	427.108971	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M-2H+NH4"	16.019271
"867004"	153.049171	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-2H+NH4"	16.019271
"33082"	295.034466	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M-2H+Na"	20.974666
"472639"	432.064366	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M-2H+Na"	20.974666
"854458"	158.004566	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-2H+Na"	20.974666
"1621804"	158.004566	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Na-2H"	20.974666
"96150"	154.010963	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M-H+Cl"	33.962126
"549329"	222.525913	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M-H+Cl"	33.962126
"941996"	85.496013	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-H+Cl"	33.962126
"282625"	309.029202	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+Cl"	34.969402
"674435"	446.059102	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+Cl"	34.969402
"1286467"	171.999302	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Cl"	34.969402
"29387"	311.008406	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M-2H+K"	36.948606
"461299"	448.038306	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M-2H+K"	36.948606
"838007"	173.978506	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-2H+K"	36.948606
"1558212"	173.978506	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+K-2H"	36.948606
"945363"	182.028094	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-H+HCOOH"	44.998194
"363579"	319.058001	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+HCOOH-H"	44.998201
"351473"	333.073651	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+Hac-H"	59.013851
"1500306"	196.043751	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Hac-H"	59.013851
"963474"	204.010051	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-H+NaCOOH"	66.980151
"114570"	171.999302	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+2Cl"	69.938804
"551946"	240.514252	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+2Cl"	69.938804
"1023297"	103.484352	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2Cl"	69.938804
"1242387"	215.948785	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Br"	78.918885
"1310427"	218.004772	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Cl+HCOOH"	80.974872
"1329020"	239.986729	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Cl+NaCOOH"	102.956829
"926958"	250.015486	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M-H+CF3COOH"	112.985586
"1303356"	285.992164	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Cl+CF3COOH"	148.962264
"1377140"	102.017224	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H-2H2O"	-35.012676
"1397919"	120.0272	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H-H2O"	-17.0027
"297726"	275.067076	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+H"	1.007276
"690271"	412.096976	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+H"	1.007276
"1364186"	138.037176	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H"	1.007276
"127599"	138.037176	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+2H"	2.014552
"573355"	206.552126	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+2H"	2.014552
"1049810"	69.522226	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2H"	2.014552
"217714"	92.3605426666667	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+3H"	3.021828
"659098"	138.037176	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+3H"	3.021828
"1176860"	46.6839093333333	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+3H"	3.021828
"436485"	292.093623	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+NH4"	18.033823
"787639"	429.123523	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+NH4"	18.033823
"1683239"	155.063723	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+NH4"	18.033823
"332977"	146.5504495	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+H+NH4"	19.041099
"727587"	215.0653995	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+H+NH4"	19.041099
"1483232"	78.0354995	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H+NH4"	19.041099
"398993"	297.049018	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+Na"	22.989218
"757801"	434.078918	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+Na"	22.989218
"1607718"	160.019118	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Na"	22.989218
"317395"	149.028147	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+H+Na"	23.996494
"719670"	217.543097	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+H+Na"	23.996494
"1474218"	80.513197	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H+Na"	23.996494
"1064913"	54.0112233333333	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2H+Na"	25.00377
"1271206"	170.063386	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+CH3OH+H"	33.033486
"390268"	313.022958	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+K"	38.963158
"751630"	450.052858	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+K"	38.963158
"1550034"	175.993058	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+K"	38.963158
"311588"	157.015117	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+H+K"	39.970434
"706687"	225.530067	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+H+K"	39.970434
"1459291"	88.500167	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H+K"	39.970434
"248256"	316.093626	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+ACN+H"	42.033826
"1213673"	179.063726	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+ACN+H"	42.033826
"1198285"	90.035501	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+ACN+2H"	43.041102
"192249"	319.03096	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+2Na-H"	44.97116
"633997"	456.06086	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+2Na-H"	44.97116
"1137869"	182.00106	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2Na-H"	44.97116
"184439"	160.019118	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+2Na"	45.978436
"618533"	228.534068	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+2Na"	45.978436
"1123132"	91.504168	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2Na"	45.978436
"1407750"	61.3385373333333	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H+2Na"	46.985712
"1438772"	184.042646	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H+HCOOH"	47.012746
"225549"	165.05214	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+3H2O+2H"	56.04448
"1513975"	198.09469	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+IsoProp+H"	61.06479
"410746"	168.006088	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+Na+K"	61.952376
"777210"	236.521038	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+Na+K"	61.952376
"1672451"	99.491138	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Na+K"	61.952376
"262256"	338.075568	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+ACN+Na"	64.015768
"1231680"	201.045668	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+ACN+Na"	64.015768
"1721659"	201.069193	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+NH4+HCOOH"	64.039293
"1182641"	68.6658513333333	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+3Na"	68.967654
"1658000"	206.024588	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Na+HCOOH"	68.994688
"165228"	350.97884	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+2K-H"	76.91904
"608434"	488.00874	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+2K-H"	76.91904
"1095496"	213.94894	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2K-H"	76.91904
"151220"	175.993058	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"2M+2K"	77.926316
"594793"	244.508008	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"3M+2K"	77.926316
"1080762"	107.478108	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2K"	77.926316
"1112514"	215.963492	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2K+H"	78.933592
"1346714"	216.051107	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+DMSO+H"	79.021207
"1014516"	220.090276	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2ACN+H"	83.060376
"1530451"	221.083908	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+IsoProp+Na+H"	84.054008
"991431"	110.548776	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+2ACN+2H"	84.067652
"1590309"	221.998528	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+K+HCOOH"	84.968628
"1420344"	252.030038	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+H+CF3COOH"	115.000138
"1147388"	131.062051	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+3ACN+2H"	125.094202
"1697107"	269.056585	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+NH4+CF3COOH"	132.026685
"1635835"	274.01198	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+Na+CF3COOH"	136.98208
"1579144"	289.98592	"C16281"	"Thiobenzamide"	"C7H7NS"	"137.0299"	"M+K+CF3COOH"	152.95602
"809512"	584.4229	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M"	0
"983044"	565.40451	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-H2O-H"	-19.01839
"75661"	388.607990666667	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M-3H"	-3.021828
"514128"	583.415624	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M-3H"	-3.021828
"891931"	193.800357333333	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-3H"	-3.021828
"13055"	583.415624	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M-2H"	-2.014552
"448969"	875.627074	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M-2H"	-2.014552
"818384"	291.204174	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-2H"	-2.014552
"80198"	1167.838524	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M-H"	-1.007276
"520124"	1752.261424	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M-H"	-1.007276
"898289"	583.415624	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-H"	-1.007276
"50843"	1184.865071	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M-2H+NH4"	16.019271
"493683"	1769.287971	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M-2H+NH4"	16.019271
"868567"	600.442171	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-2H+NH4"	16.019271
"35130"	1189.820466	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M-2H+Na"	20.974666
"473118"	1774.243366	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M-2H+Na"	20.974666
"851285"	605.397566	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-2H+Na"	20.974666
"1619844"	605.397566	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Na-2H"	20.974666
"96260"	601.403963	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M-H+Cl"	33.962126
"545299"	893.615413	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M-H+Cl"	33.962126
"941615"	309.192513	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-H+Cl"	33.962126
"282653"	1203.815202	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+Cl"	34.969402
"675279"	1788.238102	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+Cl"	34.969402
"1283661"	619.392302	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Cl"	34.969402
"28403"	1205.794406	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M-2H+K"	36.948606
"462502"	1790.217306	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M-2H+K"	36.948606
"839210"	621.371506	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-2H+K"	36.948606
"1557590"	621.371506	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+K-2H"	36.948606
"946567"	629.421094	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-H+HCOOH"	44.998194
"364053"	1213.844001	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+HCOOH-H"	44.998201
"348299"	1227.859651	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+Hac-H"	59.013851
"1500415"	643.436751	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Hac-H"	59.013851
"969051"	651.403051	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-H+NaCOOH"	66.980151
"116866"	619.392302	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+2Cl"	69.938804
"551691"	911.603752	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+2Cl"	69.938804
"1025954"	327.180852	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2Cl"	69.938804
"1242982"	663.341785	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Br"	78.918885
"1310537"	665.397772	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Cl+HCOOH"	80.974872
"1328036"	687.379729	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Cl+NaCOOH"	102.956829
"926388"	697.408486	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M-H+CF3COOH"	112.985586
"1303340"	733.385164	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Cl+CF3COOH"	148.962264
"1378343"	549.410224	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H-2H2O"	-35.012676
"1397904"	567.4202	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H-H2O"	-17.0027
"296620"	1169.853076	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+H"	1.007276
"690134"	1754.275976	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+H"	1.007276
"1363203"	585.430176	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H"	1.007276
"131717"	585.430176	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+2H"	2.014552
"572369"	877.641626	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+2H"	2.014552
"1044452"	293.218726	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2H"	2.014552
"217824"	390.622542666667	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+3H"	3.021828
"659571"	585.430176	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+3H"	3.021828
"1177333"	195.814909333333	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+3H"	3.021828
"436595"	1186.879623	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+NH4"	18.033823
"790299"	1771.302523	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+NH4"	18.033823
"1684079"	602.456723	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+NH4"	18.033823
"335638"	593.9434495	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+H+NH4"	19.041099
"727697"	886.1548995	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+H+NH4"	19.041099
"1485164"	301.7319995	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H+NH4"	19.041099
"401655"	1191.835018	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+Na"	22.989218
"759369"	1776.257918	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+Na"	22.989218
"1605277"	607.412118	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Na"	22.989218
"319691"	596.421147	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+H+Na"	23.996494
"720753"	888.632597	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+H+Na"	23.996494
"1475421"	304.209697	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H+Na"	23.996494
"1066483"	203.142223333333	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2H+Na"	25.00377
"1270707"	617.456386	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+CH3OH+H"	33.033486
"390626"	1207.808958	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+K"	38.963158
"751742"	1792.231858	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+K"	38.963158
"1552331"	623.386058	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+K"	38.963158
"311697"	604.408117	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+H+K"	39.970434
"704856"	896.619567	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+H+K"	39.970434
"1459037"	312.196667	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H+K"	39.970434
"246543"	1210.879626	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+ACN+H"	42.033826
"1214879"	626.456726	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+ACN+H"	42.033826
"1199855"	313.732001	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+ACN+2H"	43.041102
"193090"	1213.81696	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+2Na-H"	44.97116
"631919"	1798.23986	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+2Na-H"	44.97116
"1136886"	629.39406	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2Na-H"	44.97116
"182362"	607.412118	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+2Na"	45.978436
"617912"	899.623568	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+2Na"	45.978436
"1123242"	315.200668	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2Na"	45.978436
"1407860"	210.469537333333	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H+2Na"	46.985712
"1439247"	631.435646	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H+HCOOH"	47.012746
"227482"	612.44514	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+3H2O+2H"	56.04448
"1516637"	645.48769	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+H"	61.06479
"413044"	615.399088	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+Na+K"	61.952376
"777320"	907.610538	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+Na+K"	61.952376
"1673655"	323.187638	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Na+K"	61.952376
"262363"	1232.861568	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+ACN+Na"	64.015768
"1231790"	648.438668	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+ACN+Na"	64.015768
"1719582"	648.462193	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+NH4+HCOOH"	64.039293
"1183844"	217.796851333333	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+3Na"	68.967654
"1659203"	653.417588	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Na+HCOOH"	68.994688
"170439"	1245.76484	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+2K-H"	76.91904
"607451"	1830.18774	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+2K-H"	76.91904
"1096699"	661.34194	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2K-H"	76.91904
"146955"	623.386058	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"2M+2K"	77.926316
"590889"	915.597508	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"3M+2K"	77.926316
"1080871"	331.174608	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2K"	77.926316
"1111892"	663.356492	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2K+H"	78.933592
"1346092"	663.444107	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+DMSO+H"	79.021207
"1017540"	667.483276	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2ACN+H"	83.060376
"1526188"	668.476908	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+IsoProp+Na+H"	84.054008
"990932"	334.245276	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+2ACN+2H"	84.067652
"1590419"	669.391528	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+K+HCOOH"	84.968628
"1418267"	699.423038	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+H+CF3COOH"	115.000138
"1147164"	354.758551	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+3ACN+2H"	125.094202
"1697013"	716.449585	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+NH4+CF3COOH"	132.026685
"1635216"	721.40498	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+Na+CF3COOH"	136.98208
"1582534"	737.37892	"C16282"	"Caloxanthin"	"C40H56O3"	"584.4229"	"M+K+CF3COOH"	152.95602
"811810"	153.0248	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M"	0
"985341"	134.00641	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-H2O-H"	-19.01839
"76866"	101.009257333333	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M-3H"	-3.021828
"517521"	152.017524	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M-3H"	-3.021828
"894835"	50.0009906666667	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-3H"	-3.021828
"14624"	152.017524	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M-2H"	-2.014552
"450172"	228.529924	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M-2H"	-2.014552
"819224"	75.505124	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-2H"	-2.014552
"80673"	305.042324	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M-H"	-1.007276
"521328"	458.067124	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M-H"	-1.007276
"898765"	152.017524	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-H"	-1.007276
"52047"	322.068871	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M-2H+NH4"	16.019271
"491242"	475.093671	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M-2H+NH4"	16.019271
"870499"	169.044071	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-2H+NH4"	16.019271
"35118"	327.024266	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M-2H+Na"	20.974666
"474686"	480.049066	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M-2H+Na"	20.974666
"852488"	173.999466	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-2H+Na"	20.974666
"1620927"	173.999466	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Na-2H"	20.974666
"101837"	170.005863	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M-H+Cl"	33.962126
"543587"	246.518263	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M-H+Cl"	33.962126
"942336"	93.493463	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-H+Cl"	33.962126
"282600"	341.019002	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+Cl"	34.969402
"674900"	494.043802	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+Cl"	34.969402
"1283771"	187.994202	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Cl"	34.969402
"29610"	342.998206	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M-2H+K"	36.948606
"463701"	496.023006	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M-2H+K"	36.948606
"837132"	189.973406	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-2H+K"	36.948606
"1558436"	189.973406	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+K-2H"	36.948606
"947410"	198.022994	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-H+HCOOH"	44.998194
"368908"	351.047801	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+HCOOH-H"	44.998201
"351323"	365.063451	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+Hac-H"	59.013851
"1503076"	212.038651	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Hac-H"	59.013851
"964785"	220.004951	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-H+NaCOOH"	66.980151
"115883"	187.994202	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+2Cl"	69.938804
"550829"	264.506602	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+2Cl"	69.938804
"1024243"	111.481802	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2Cl"	69.938804
"1242851"	231.943685	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Br"	78.918885
"1308461"	233.999672	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Cl+HCOOH"	80.974872
"1325960"	255.981629	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Cl+NaCOOH"	102.956829
"924676"	266.010386	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M-H+CF3COOH"	112.985586
"1300289"	301.987064	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Cl+CF3COOH"	148.962264
"1379546"	118.012124	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H-2H2O"	-35.012676
"1397407"	136.0221	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H-H2O"	-17.0027
"295637"	307.056876	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+H"	1.007276
"690244"	460.081676	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+H"	1.007276
"1365500"	154.032076	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H"	1.007276
"129642"	154.032076	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+2H"	2.014552
"577948"	230.544476	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+2H"	2.014552
"1040188"	77.519676	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2H"	2.014552
"217931"	103.023809333333	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+3H"	3.021828
"657492"	154.032076	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+3H"	3.021828
"1174526"	52.0155426666667	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+3H"	3.021828
"433424"	324.083423	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+NH4"	18.033823
"790045"	477.108223	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+NH4"	18.033823
"1688564"	171.058623	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+NH4"	18.033823
"336842"	162.5453495	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+H+NH4"	19.041099
"727079"	239.0577495	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+H+NH4"	19.041099
"1485274"	86.0329495	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H+NH4"	19.041099
"403952"	329.038818	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+Na"	22.989218
"763853"	482.063618	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+Na"	22.989218
"1605389"	176.014018	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Na"	22.989218
"319073"	165.023047	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+H+Na"	23.996494
"721106"	241.535447	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+H+Na"	23.996494
"1475895"	88.510647	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H+Na"	23.996494
"1065864"	59.3428566666667	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2H+Na"	25.00377
"1271066"	186.058286	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+CH3OH+H"	33.033486
"391586"	345.012758	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+K"	38.963158
"753310"	498.037558	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+K"	38.963158
"1554885"	191.987958	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+K"	38.963158
"313509"	173.010017	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+H+K"	39.970434
"706060"	249.522417	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+H+K"	39.970434
"1460848"	96.497617	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H+K"	39.970434
"248112"	348.083426	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+ACN+H"	42.033826
"1212800"	195.058626	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+ACN+H"	42.033826
"1203246"	98.032951	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+ACN+2H"	43.041102
"195023"	351.02076	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+2Na-H"	44.97116
"633490"	504.04556	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+2Na-H"	44.97116
"1142099"	197.99596	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2Na-H"	44.97116
"185025"	176.014018	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+2Na"	45.978436
"620940"	252.526418	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+2Na"	45.978436
"1123353"	99.501618	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2Na"	45.978436
"1406877"	66.6701706666667	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H+2Na"	46.985712
"1440815"	200.037546	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H+HCOOH"	47.012746
"230872"	181.04704	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+3H2O+2H"	56.04448
"1516747"	214.08959	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+IsoProp+H"	61.06479
"415341"	184.000988	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+Na+K"	61.952376
"778524"	260.513388	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+Na+K"	61.952376
"1673765"	107.488588	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Na+K"	61.952376
"265511"	370.065368	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+ACN+Na"	64.015768
"1237369"	217.040568	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+ACN+Na"	64.015768
"1720787"	217.064093	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+NH4+HCOOH"	64.039293
"1187234"	73.9974846666667	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+3Na"	68.967654
"1659314"	222.019488	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Na+HCOOH"	68.994688
"170549"	382.96864	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+2K-H"	76.91904
"609747"	535.99344	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+2K-H"	76.91904
"1096809"	229.94384	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2K-H"	76.91904
"147065"	191.987958	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"2M+2K"	77.926316
"590999"	268.500358	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"3M+2K"	77.926316
"1075514"	115.475558	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2K"	77.926316
"1106535"	231.958392	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2K+H"	78.933592
"1342921"	232.046007	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+DMSO+H"	79.021207
"1018014"	236.085176	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2ACN+H"	83.060376
"1527391"	237.078808	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+IsoProp+Na+H"	84.054008
"991651"	118.546226	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+2ACN+2H"	84.067652
"1587249"	237.993428	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+K+HCOOH"	84.968628
"1422751"	268.024938	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+H+CF3COOH"	115.000138
"1148058"	139.059501	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+3ACN+2H"	125.094202
"1698216"	285.051485	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+NH4+CF3COOH"	132.026685
"1637150"	290.00688	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+Na+CF3COOH"	136.98208
"1579364"	305.98082	"C16283"	"Thiobenzamide S-oxide"	"C7H7NOS"	"153.0248"	"M+K+CF3COOH"	152.95602
"811920"	600.4179	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M"	0
"985451"	581.39951	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-H2O-H"	-19.01839
"76976"	399.271324	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M-3H"	-3.021828
"516173"	599.410624	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M-3H"	-3.021828
"893245"	199.132024	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-3H"	-3.021828
"13642"	599.410624	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M-2H"	-2.014552
"449190"	899.619574	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M-2H"	-2.014552
"820063"	299.201674	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-2H"	-2.014552
"80055"	1199.828524	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M-H"	-1.007276
"522896"	1800.246424	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M-H"	-1.007276
"899240"	599.410624	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-H"	-1.007276
"52158"	1216.855071	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+NH4"	16.019271
"493904"	1817.272971	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+NH4"	16.019271
"866237"	616.437171	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-2H+NH4"	16.019271
"32677"	1221.810466	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+Na"	20.974666
"474067"	1822.228366	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+Na"	20.974666
"852598"	621.392566	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-2H+Na"	20.974666
"1621037"	621.392566	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Na-2H"	20.974666
"101948"	617.398963	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M-H+Cl"	33.962126
"543697"	917.607913	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M-H+Cl"	33.962126
"942770"	317.190013	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-H+Cl"	33.962126
"282663"	1235.805202	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+Cl"	34.969402
"675608"	1836.223102	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+Cl"	34.969402
"1286067"	635.387302	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Cl"	34.969402
"30208"	1237.784406	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M-2H+K"	36.948606
"467091"	1838.202306	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M-2H+K"	36.948606
"840521"	637.366506	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-2H+K"	36.948606
"1561825"	637.366506	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+K-2H"	36.948606
"949706"	645.416094	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-H+HCOOH"	44.998194
"371205"	1245.834001	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+HCOOH-H"	44.998201
"349976"	1259.849651	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+Hac-H"	59.013851
"1502821"	659.431751	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Hac-H"	59.013851
"967081"	667.398051	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-H+NaCOOH"	66.980151
"113807"	635.387302	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+2Cl"	69.938804
"553370"	935.596252	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+2Cl"	69.938804
"1024352"	335.178352	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2Cl"	69.938804
"1246122"	679.336785	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Br"	78.918885
"1309664"	681.392772	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+HCOOH"	80.974872
"1326069"	703.374729	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+NaCOOH"	102.956829
"923692"	713.403486	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M-H+CF3COOH"	112.985586
"1300399"	749.380164	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Cl+CF3COOH"	148.962264
"1378563"	565.405224	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H-2H2O"	-35.012676
"1394966"	583.4152	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H-H2O"	-17.0027
"293560"	1201.843076	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+H"	1.007276
"690357"	1802.260976	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+H"	1.007276
"1365246"	601.425176	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H"	1.007276
"130845"	601.425176	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+2H"	2.014552
"575871"	901.634126	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+2H"	2.014552
"1041025"	301.216226	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2H"	2.014552
"218042"	401.285876	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+3H"	3.021828
"657602"	601.425176	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+3H"	3.021828
"1174636"	201.146576	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+3H"	3.021828
"433533"	1218.869623	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+NH4"	18.033823
"791614"	1819.287523	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+NH4"	18.033823
"1688674"	618.451723	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+NH4"	18.033823
"336953"	609.9384495	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+H+NH4"	19.041099
"728282"	910.1473995	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+H+NH4"	19.041099
"1487571"	309.7294995	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H+NH4"	19.041099
"398595"	1223.825018	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+Na"	22.989218
"763963"	1824.242918	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+Na"	22.989218
"1608779"	623.407118	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Na"	22.989218
"318819"	612.416147	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+H+Na"	23.996494
"714519"	912.625097	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+H+Na"	23.996494
"1473822"	312.207197	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H+Na"	23.996494
"1066702"	208.47389	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2H+Na"	25.00377
"1270205"	633.451386	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+CH3OH+H"	33.033486
"391329"	1239.798958	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+K"	38.963158
"753784"	1840.216858	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+K"	38.963158
"1555360"	639.381058	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+K"	38.963158
"313012"	620.403117	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+H+K"	39.970434
"707037"	920.612067	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+H+K"	39.970434
"1460959"	320.194167	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H+K"	39.970434
"250409"	1242.869626	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+H"	42.033826
"1212545"	642.451726	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+H"	42.033826
"1203356"	321.729501	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+2H"	43.041102
"194040"	1245.80696	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+2Na-H"	44.97116
"632506"	1846.22486	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+2Na-H"	44.97116
"1137106"	645.38906	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2Na-H"	44.97116
"185500"	623.407118	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+2Na"	45.978436
"621050"	923.616068	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+2Na"	45.978436
"1123463"	323.198168	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2Na"	45.978436
"1405893"	215.801204	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H+2Na"	46.985712
"1439101"	647.430646	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H+HCOOH"	47.012746
"232806"	628.44014	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+3H2O+2H"	56.04448
"1519043"	661.48269	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+H"	61.06479
"415451"	631.394088	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+Na+K"	61.952376
"778634"	931.603038	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+Na+K"	61.952376
"1676061"	331.185138	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Na+K"	61.952376
"265498"	1264.851568	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+ACN+Na"	64.015768
"1238572"	664.433668	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+ACN+Na"	64.015768
"1721990"	664.457193	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+NH4+HCOOH"	64.039293
"1188436"	223.128518	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+3Na"	68.967654
"1656144"	669.412588	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Na+HCOOH"	68.994688
"167379"	1277.75484	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+2K-H"	76.91904
"609127"	1878.17274	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+2K-H"	76.91904
"1095825"	677.33694	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2K-H"	76.91904
"142922"	639.381058	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"2M+2K"	77.926316
"585638"	939.590008	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"3M+2K"	77.926316
"1075621"	339.172108	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2K"	77.926316
"1107738"	679.351492	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2K+H"	78.933592
"1345218"	679.439107	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+DMSO+H"	79.021207
"1017760"	683.478276	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+H"	83.060376
"1528595"	684.471908	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+IsoProp+Na+H"	84.054008
"990661"	342.242776	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+2ACN+2H"	84.067652
"1588085"	685.386528	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+K+HCOOH"	84.968628
"1423954"	715.418038	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+H+CF3COOH"	115.000138
"1152057"	362.756051	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+3ACN+2H"	125.094202
"1697597"	732.444585	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+NH4+CF3COOH"	132.026685
"1638354"	737.39998	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+Na+CF3COOH"	136.98208
"1579474"	753.37392	"C16284"	"Nostoxanthin"	"C40H56O4"	"600.4179"	"M+K+CF3COOH"	152.95602
"813124"	169.0197	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M"	0
"987750"	150.00131	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-H2O-H"	-19.01839
"74900"	111.672524	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M-3H"	-3.021828
"515554"	168.012424	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M-3H"	-3.021828
"892993"	55.332624	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-3H"	-3.021828
"8651"	168.012424	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M-2H"	-2.014552
"453312"	252.522274	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M-2H"	-2.014552
"826006"	83.502574	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-2H"	-2.014552
"80894"	337.032124	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M-H"	-1.007276
"523735"	506.051824	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M-H"	-1.007276
"900079"	168.012424	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-H"	-1.007276
"54455"	354.058671	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M-2H+NH4"	16.019271
"492920"	523.078371	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M-2H+NH4"	16.019271
"865618"	185.038971	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-2H+NH4"	16.019271
"33878"	359.014066	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M-2H+Na"	20.974666
"474906"	528.033766	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M-2H+Na"	20.974666
"849544"	189.994366	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-2H+Na"	20.974666
"1619688"	189.994366	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Na-2H"	20.974666
"98041"	186.000763	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M-H+Cl"	33.962126
"544172"	270.510613	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M-H+Cl"	33.962126
"942311"	101.490913	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-H+Cl"	33.962126
"282738"	373.008802	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+Cl"	34.969402
"674505"	542.028502	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+Cl"	34.969402
"1283990"	203.989102	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Cl"	34.969402
"27643"	374.988006	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M-2H+K"	36.948606
"460641"	544.007706	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M-2H+K"	36.948606
"843912"	205.968306	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-2H+K"	36.948606
"1565213"	205.968306	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+K-2H"	36.948606
"950910"	214.017894	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-H+HCOOH"	44.998194
"369128"	383.037601	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+HCOOH-H"	44.998201
"349726"	397.053251	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+Hac-H"	59.013851
"1497465"	228.033551	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Hac-H"	59.013851
"966099"	235.999851	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-H+NaCOOH"	66.980151
"112095"	203.989102	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+2Cl"	69.938804
"550317"	288.498952	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+2Cl"	69.938804
"1023731"	119.479252	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2Cl"	69.938804
"1246232"	247.938585	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Br"	78.918885
"1311961"	249.994572	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Cl+HCOOH"	80.974872
"1326179"	271.976529	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Cl+NaCOOH"	102.956829
"924896"	282.005286	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M-H+CF3COOH"	112.985586
"1302695"	317.981964	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Cl+CF3COOH"	148.962264
"1376486"	134.007024	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H-2H2O"	-35.012676
"1397991"	152.017	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H-H2O"	-17.0027
"295857"	339.046676	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+H"	1.007276
"691317"	508.066376	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+H"	1.007276
"1361346"	170.026976	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H"	1.007276
"130954"	170.026976	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+2H"	2.014552
"572701"	254.536826	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+2H"	2.014552
"1040042"	85.517126	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2H"	2.014552
"214871"	113.687076	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+3H"	3.021828
"654431"	170.026976	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+3H"	3.021828
"1174746"	57.347176	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+3H"	3.021828
"433642"	356.073223	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+NH4"	18.033823
"794640"	525.092923	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+NH4"	18.033823
"1687691"	187.053523	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+NH4"	18.033823
"335968"	178.5402495	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+H+NH4"	19.041099
"731673"	263.0500995	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+H+NH4"	19.041099
"1486588"	94.0303995	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H+NH4"	19.041099
"398705"	361.028618	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+Na"	22.989218
"764073"	530.048318	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+Na"	22.989218
"1606702"	192.008918	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Na"	22.989218
"317836"	181.017947	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+H+Na"	23.996494
"712443"	265.527797	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+H+Na"	23.996494
"1475025"	96.508097	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H+Na"	23.996494
"1066086"	64.67449	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2H+Na"	25.00377
"1271771"	202.053186	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+CH3OH+H"	33.033486
"391438"	377.002558	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+K"	38.963158
"752921"	546.022258	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+K"	38.963158
"1555515"	207.982858	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+K"	38.963158
"314217"	189.004917	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+H+K"	39.970434
"706967"	273.514767	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+H+K"	39.970434
"1460584"	104.495067	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H+K"	39.970434
"249062"	380.073226	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+ACN+H"	42.033826
"1212291"	211.053526	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+ACN+H"	42.033826
"1198362"	106.030401	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+ACN+2H"	43.041102
"198525"	383.01056	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+2Na-H"	44.97116
"632615"	552.03026	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+2Na-H"	44.97116
"1137216"	213.99086	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2Na-H"	44.97116
"187433"	192.008918	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+2Na"	45.978436
"621160"	276.518768	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+2Na"	45.978436
"1124666"	107.499068	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2Na"	45.978436
"1407096"	72.001804	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H+2Na"	46.985712
"1442857"	216.032446	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H+HCOOH"	47.012746
"232916"	197.04194	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+3H2O+2H"	56.04448
"1519153"	230.08449	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+IsoProp+H"	61.06479
"415561"	199.995888	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+Na+K"	61.952376
"779473"	284.505738	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+Na+K"	61.952376
"1676900"	115.486038	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Na+K"	61.952376
"265608"	402.055168	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+ACN+Na"	64.015768
"1238682"	233.035468	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+ACN+Na"	64.015768
"1722100"	233.058993	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+NH4+HCOOH"	64.039293
"1188547"	79.329118	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+3Na"	68.967654
"1659534"	238.014388	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Na+HCOOH"	68.994688
"167489"	414.95844	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+2K-H"	76.91904
"608142"	583.97814	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+2K-H"	76.91904
"1089374"	245.93874	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2K-H"	76.91904
"144002"	207.982858	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"2M+2K"	77.926316
"587935"	292.492708	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"3M+2K"	77.926316
"1076822"	123.473008	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2K"	77.926316
"1107848"	247.953292	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2K+H"	78.933592
"1345327"	248.040907	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+DMSO+H"	79.021207
"1016778"	252.080076	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2ACN+H"	83.060376
"1528705"	253.073708	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+IsoProp+Na+H"	84.054008
"990773"	126.543676	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+2ACN+2H"	84.067652
"1587952"	253.988328	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+K+HCOOH"	84.968628
"1421877"	284.019838	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+H+CF3COOH"	115.000138
"1149980"	147.056951	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+3ACN+2H"	125.094202
"1698437"	301.046385	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+NH4+CF3COOH"	132.026685
"1638464"	306.00178	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+Na+CF3COOH"	136.98208
"1579584"	321.97572	"C16285"	"Thiobenzamide SS-dioxide"	"C7H7NO2S"	"169.0197"	"M+K+CF3COOH"	152.95602
"815057"	182.1671	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M"	0
"987860"	163.14871	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-H2O-H"	-19.01839
"76104"	120.437457333333	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M-3H"	-3.021828
"516395"	181.159824	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M-3H"	-3.021828
"893104"	59.7150906666667	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-3H"	-3.021828
"12039"	181.159824	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M-2H"	-2.014552
"451600"	272.243374	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M-2H"	-2.014552
"825023"	90.076274	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-2H"	-2.014552
"81733"	363.326924	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M-H"	-1.007276
"523481"	545.494024	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M-H"	-1.007276
"900189"	181.159824	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-H"	-1.007276
"54565"	380.353471	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M-2H+NH4"	16.019271
"490844"	562.520571	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M-2H+NH4"	16.019271
"865363"	198.186371	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-2H+NH4"	16.019271
"33987"	385.308866	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M-2H+Na"	20.974666
"475016"	567.475966	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M-2H+Na"	20.974666
"849083"	203.141766	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-2H+Na"	20.974666
"1619191"	203.141766	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Na-2H"	20.974666
"98881"	199.148163	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M-H+Cl"	33.962126
"545376"	290.231713	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M-H+Cl"	33.962126
"940716"	108.064613	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-H+Cl"	33.962126
"280006"	399.303602	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+Cl"	34.969402
"673890"	581.470702	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+Cl"	34.969402
"1284098"	217.136502	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Cl"	34.969402
"25564"	401.282806	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M-2H+K"	36.948606
"460751"	583.449906	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M-2H+K"	36.948606
"842929"	219.115706	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-2H+K"	36.948606
"1564230"	219.115706	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+K-2H"	36.948606
"951020"	227.165294	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-H+HCOOH"	44.998194
"370331"	409.332401	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+HCOOH-H"	44.998201
"349836"	423.348051	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+Hac-H"	59.013851
"1496482"	241.180951	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Hac-H"	59.013851
"964022"	249.147251	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-H+NaCOOH"	66.980151
"114028"	217.136502	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+2Cl"	69.938804
"551404"	308.220052	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+2Cl"	69.938804
"1022388"	126.052952	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2Cl"	69.938804
"1247435"	261.085985	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Br"	78.918885
"1312071"	263.141972	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Cl+HCOOH"	80.974872
"1327383"	285.123929	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Cl+NaCOOH"	102.956829
"924642"	295.152686	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M-H+CF3COOH"	112.985586
"1301712"	331.129364	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Cl+CF3COOH"	148.962264
"1374409"	147.154424	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H-2H2O"	-35.012676
"1396277"	165.1644	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H-H2O"	-17.0027
"291593"	365.341476	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+H"	1.007276
"690210"	547.508576	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+H"	1.007276
"1361456"	183.174376	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H"	1.007276
"131064"	183.174376	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+2H"	2.014552
"571718"	274.257926	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+2H"	2.014552
"1039423"	92.090826	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2H"	2.014552
"210607"	122.452009333333	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+3H"	3.021828
"653448"	183.174376	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+3H"	3.021828
"1171573"	61.7296426666667	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+3H"	3.021828
"431566"	382.368023	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+NH4"	18.033823
"791468"	564.535123	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+NH4"	18.033823
"1683789"	200.200923	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+NH4"	18.033823
"332795"	191.6876495	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+H+NH4"	19.041099
"729596"	282.7711995	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+H+NH4"	19.041099
"1485603"	100.6040995	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H+NH4"	19.041099
"398815"	387.323418	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+Na"	22.989218
"760903"	569.490518	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+Na"	22.989218
"1604625"	205.156318	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Na"	22.989218
"317942"	194.165347	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+H+Na"	23.996494
"708177"	285.248897	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+H+Na"	23.996494
"1472585"	103.081797	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H+Na"	23.996494
"1066196"	69.0569566666667	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2H+Na"	25.00377
"1271153"	215.200586	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+CH3OH+H"	33.033486
"391551"	403.297358	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+K"	38.963158
"751816"	585.464458	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+K"	38.963158
"1555258"	221.130258	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+K"	38.963158
"314049"	202.152317	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+H+K"	39.970434
"706793"	293.235867	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+H+K"	39.970434
"1461059"	111.068767	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H+K"	39.970434
"249172"	406.368026	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+ACN+H"	42.033826
"1212037"	224.200926	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+ACN+H"	42.033826
"1197379"	112.604101	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+ACN+2H"	43.041102
"198271"	409.30536	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+2Na-H"	44.97116
"631633"	591.47246	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+2Na-H"	44.97116
"1139513"	227.13826	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2Na-H"	44.97116
"188315"	205.156318	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+2Na"	45.978436
"623093"	296.239868	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+2Na"	45.978436
"1123683"	114.072768	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2Na"	45.978436
"1407207"	76.3842706666667	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H+2Na"	46.985712
"1444061"	229.179846	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H+HCOOH"	47.012746
"232297"	210.18934	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+3H2O+2H"	56.04448
"1519263"	243.23189	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+IsoProp+H"	61.06479
"412391"	213.143288	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+Na+K"	61.952376
"779947"	304.226838	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+Na+K"	61.952376
"1675188"	122.059738	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Na+K"	61.952376
"261708"	428.349968	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+ACN+Na"	64.015768
"1233324"	246.182868	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+ACN+Na"	64.015768
"1717835"	246.206393	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+NH4+HCOOH"	64.039293
"1182096"	83.7115846666667	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+3Na"	68.967654
"1653081"	251.161788	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Na+HCOOH"	68.994688
"167597"	441.25324	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+2K-H"	76.91904
"602783"	623.42034	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+2K-H"	76.91904
"1088390"	259.08614	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2K-H"	76.91904
"144478"	221.130258	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"2M+2K"	77.926316
"584765"	312.213808	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"3M+2K"	77.926316
"1073653"	130.046708	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2K"	77.926316
"1107958"	261.100692	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2K+H"	78.933592
"1346531"	261.188307	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+DMSO+H"	79.021207
"1018711"	265.227476	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2ACN+H"	83.060376
"1531002"	266.221108	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+IsoProp+Na+H"	84.054008
"993074"	133.117376	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+2ACN+2H"	84.067652
"1590860"	267.135728	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+K+HCOOH"	84.968628
"1421987"	297.167238	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+H+CF3COOH"	115.000138
"1151183"	153.630651	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+3ACN+2H"	125.094202
"1700734"	314.193785	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+NH4+CF3COOH"	132.026685
"1637480"	319.14918	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+Na+CF3COOH"	136.98208
"1579694"	335.12312	"C16286"	"Geosmin;(-)-Geosmin;trans-110-Dimethyl-trans-9-decalol"	"C12H22O"	"182.1671"	"M+K+CF3COOH"	152.95602
"816140"	178.0841	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M"	0
"989596"	159.06571	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-H2O-H"	-19.01839
"78169"	117.715457333333	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M-3H"	-3.021828
"517843"	177.076824	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M-3H"	-3.021828
"893942"	58.3540906666667	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-3H"	-3.021828
"13242"	177.076824	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M-2H"	-2.014552
"452802"	266.118874	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M-2H"	-2.014552
"822217"	88.034774	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-2H"	-2.014552
"80021"	355.160924	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M-H"	-1.007276
"523591"	533.245024	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M-H"	-1.007276
"897019"	177.076824	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-H"	-1.007276
"53581"	372.187471	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M-2H+NH4"	16.019271
"488767"	550.271571	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M-2H+NH4"	16.019271
"866198"	194.103371	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-2H+NH4"	16.019271
"34461"	377.142866	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M-2H+Na"	20.974666
"475126"	555.226966	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M-2H+Na"	20.974666
"850370"	199.058766	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-2H+Na"	20.974666
"1619175"	199.058766	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Na-2H"	20.974666
"95101"	195.065163	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M-H+Cl"	33.962126
"548281"	284.107213	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M-H+Cl"	33.962126
"941313"	106.023113	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-H+Cl"	33.962126
"282431"	391.137602	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+Cl"	34.969402
"675097"	569.221702	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+Cl"	34.969402
"1286030"	213.053502	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Cl"	34.969402
"27131"	393.116806	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M-2H+K"	36.948606
"465234"	571.200906	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M-2H+K"	36.948606
"844131"	215.032706	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-2H+K"	36.948606
"1562152"	215.032706	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+K-2H"	36.948606
"947850"	223.082294	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-H+HCOOH"	44.998194
"370439"	401.166401	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+HCOOH-H"	44.998201
"353228"	415.182051	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+Hac-H"	59.013851
"1499874"	237.097951	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Hac-H"	59.013851
"967050"	245.064251	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-H+NaCOOH"	66.980151
"114137"	213.053502	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+2Cl"	69.938804
"552608"	302.095552	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+2Cl"	69.938804
"1023955"	124.011452	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2Cl"	69.938804
"1245359"	257.002985	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Br"	78.918885
"1315461"	259.058972	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Cl+HCOOH"	80.974872
"1328586"	281.040929	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Cl+NaCOOH"	102.956829
"924022"	291.069686	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M-H+CF3COOH"	112.985586
"1298541"	327.046364	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Cl+CF3COOH"	148.962264
"1379985"	143.071424	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H-2H2O"	-35.012676
"1394199"	161.0814	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H-H2O"	-17.0027
"297292"	357.175476	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+H"	1.007276
"689957"	535.259576	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+H"	1.007276
"1363754"	179.091376	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H"	1.007276
"130081"	179.091376	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+2H"	2.014552
"571828"	268.133426	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+2H"	2.014552
"1041721"	90.049326	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2H"	2.014552
"212904"	119.730009333333	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+3H"	3.021828
"655745"	179.091376	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+3H"	3.021828
"1172778"	60.3686426666667	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+3H"	3.021828
"432770"	374.202023	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+NH4"	18.033823
"788663"	552.286123	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+NH4"	18.033823
"1686816"	196.117923	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+NH4"	18.033823
"334728"	187.6046495	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+H+NH4"	19.041099
"730797"	276.6466995	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+H+NH4"	19.041099
"1486807"	98.5625995	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H+NH4"	19.041099
"402205"	379.157418	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+Na"	22.989218
"762105"	557.241518	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+Na"	22.989218
"1608016"	201.073318	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Na"	22.989218
"316232"	190.082347	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+H+Na"	23.996494
"712662"	279.124397	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+H+Na"	23.996494
"1473788"	101.040297	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H+Na"	23.996494
"1065211"	67.6959566666667	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2H+Na"	25.00377
"1270412"	211.117586	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+CH3OH+H"	33.033486
"390930"	395.131358	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+K"	38.963158
"752414"	573.215458	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+K"	38.963158
"1555324"	217.047258	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+K"	38.963158
"313922"	198.069317	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+H+K"	39.970434
"706424"	287.111367	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+H+K"	39.970434
"1461098"	109.027267	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H+K"	39.970434
"251265"	398.202026	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+ACN+H"	42.033826
"1216522"	220.117926	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+ACN+H"	42.033826
"1202593"	110.562601	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+ACN+2H"	43.041102
"198746"	401.13936	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+2Na-H"	44.97116
"640127"	579.22346	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+2Na-H"	44.97116
"1146188"	223.05526	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2Na-H"	44.97116
"187654"	201.073318	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+2Na"	45.978436
"626849"	290.115368	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+2Na"	45.978436
"1125981"	112.031268	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2Na"	45.978436
"1412056"	75.0232706666667	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H+2Na"	46.985712
"1444173"	225.096846	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H+HCOOH"	47.012746
"233498"	206.10634	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+3H2O+2H"	56.04448
"1516093"	239.14889	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+IsoProp+H"	61.06479
"412501"	209.060288	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+Na+K"	61.952376
"777870"	298.102338	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+Na+K"	61.952376
"1674207"	120.018238	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Na+K"	61.952376
"261824"	420.183968	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+ACN+Na"	64.015768
"1235988"	242.099868	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+ACN+Na"	64.015768
"1719038"	242.123393	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+NH4+HCOOH"	64.039293
"1182206"	82.3505846666667	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+3Na"	68.967654
"1656471"	247.078788	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Na+HCOOH"	68.994688
"168800"	433.08724	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+2K-H"	76.91904
"602893"	611.17134	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+2K-H"	76.91904
"1091780"	255.00314	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2K-H"	76.91904
"146410"	217.047258	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"2M+2K"	77.926316
"584145"	306.089308	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"3M+2K"	77.926316
"1073763"	128.005208	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2K"	77.926316
"1106975"	257.017692	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2K+H"	78.933592
"1346277"	257.105307	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+DMSO+H"	79.021207
"1018456"	261.144476	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2ACN+H"	83.060376
"1534030"	262.138108	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+IsoProp+Na+H"	84.054008
"994278"	131.075876	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+2ACN+2H"	84.067652
"1593156"	263.052728	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+K+HCOOH"	84.968628
"1424283"	293.084238	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+H+CF3COOH"	115.000138
"1151294"	151.589151	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+3ACN+2H"	125.094202
"1700844"	310.110785	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+NH4+CF3COOH"	132.026685
"1639777"	315.06618	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+Na+CF3COOH"	136.98208
"1583084"	331.04012	"C16287"	"D-Thevetose"	"C7H14O5"	"178.0841"	"M+K+CF3COOH"	152.95602
"813454"	605.1143	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M"	0
"983708"	586.09591	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-H2O-H"	-19.01839
"78148"	402.402257333333	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M-3H"	-3.021828
"517708"	604.107024	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M-3H"	-3.021828
"895388"	200.697490666667	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-3H"	-3.021828
"13352"	604.107024	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M-2H"	-2.014552
"452911"	906.664174	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M-2H"	-2.014552
"821963"	301.549874	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-2H"	-2.014552
"79643"	1209.221324	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M-H"	-1.007276
"522608"	1814.335624	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M-H"	-1.007276
"897250"	604.107024	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-H"	-1.007276
"51506"	1226.247871	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M-2H+NH4"	16.019271
"488999"	1831.362171	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M-2H+NH4"	16.019271
"865585"	621.133571	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-2H+NH4"	16.019271
"33116"	1231.203266	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M-2H+Na"	20.974666
"471910"	1836.317566	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M-2H+Na"	20.974666
"849747"	626.088966	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-2H+Na"	20.974666
"1618879"	626.088966	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Na-2H"	20.974666
"95203"	622.095363	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M-H+Cl"	33.962126
"547782"	924.652513	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M-H+Cl"	33.962126
"941421"	319.538213	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-H+Cl"	33.962126
"281814"	1245.198002	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+Cl"	34.969402
"674842"	1850.312302	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+Cl"	34.969402
"1287357"	640.083702	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Cl"	34.969402
"28699"	1247.177206	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M-2H+K"	36.948606
"463158"	1852.291506	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M-2H+K"	36.948606
"843148"	642.062906	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-2H+K"	36.948606
"1561169"	642.062906	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+K-2H"	36.948606
"949054"	650.112494	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-H+HCOOH"	44.998194
"369456"	1255.226801	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+HCOOH-H"	44.998201
"350058"	1269.242451	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+Hac-H"	59.013851
"1497798"	664.128151	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Hac-H"	59.013851
"965338"	672.094451	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-H+NaCOOH"	66.980151
"114247"	640.083702	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+2Cl"	69.938804
"552717"	942.640852	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+2Cl"	69.938804
"1023700"	337.526552	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2Cl"	69.938804
"1245469"	684.033185	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Br"	78.918885
"1312291"	686.089172	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Cl+HCOOH"	80.974872
"1328696"	708.071129	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Cl+NaCOOH"	102.956829
"923037"	718.099886	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M-H+CF3COOH"	112.985586
"1298651"	754.076564	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Cl+CF3COOH"	148.962264
"1377907"	570.101624	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H-2H2O"	-35.012676
"1394309"	588.1116	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H-H2O"	-17.0027
"297279"	1211.235876	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+H"	1.007276
"689336"	1816.350176	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+H"	1.007276
"1363864"	606.121576	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H"	1.007276
"130191"	606.121576	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+2H"	2.014552
"570845"	908.678726	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+2H"	2.014552
"1041101"	303.564426	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2H"	2.014552
"209734"	404.416809333333	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+3H"	3.021828
"652575"	606.121576	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+3H"	3.021828
"1166326"	202.712042666667	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+3H"	3.021828
"429599"	1228.262423	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+NH4"	18.033823
"787314"	1833.376723	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+NH4"	18.033823
"1683644"	623.148123	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+NH4"	18.033823
"332286"	614.6348495	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+H+NH4"	19.041099
"726894"	917.1919995	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+H+NH4"	19.041099
"1481445"	312.0776995	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H+NH4"	19.041099
"399034"	1233.217818	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+Na"	22.989218
"758933"	1838.332118	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+Na"	22.989218
"1606300"	628.103518	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Na"	22.989218
"315979"	617.112547	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+H+Na"	23.996494
"710586"	919.669697	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+H+Na"	23.996494
"1475353"	314.555397	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H+Na"	23.996494
"1060938"	210.039356666667	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2H+Na"	25.00377
"1269181"	638.147786	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+CH3OH+H"	33.033486
"392256"	1249.191758	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+K"	38.963158
"753010"	1854.306058	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+K"	38.963158
"1555506"	644.077458	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+K"	38.963158
"313708"	625.099517	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+H+K"	39.970434
"706370"	927.656667	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+H+K"	39.970434
"1461284"	322.542367	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H+K"	39.970434
"250859"	1252.262426	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+ACN+H"	42.033826
"1218818"	647.148126	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+ACN+H"	42.033826
"1202703"	324.077701	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+ACN+2H"	43.041102
"199949"	1255.19976	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+2Na-H"	44.97116
"640237"	1860.31406	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+2Na-H"	44.97116
"1145568"	650.08546	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2Na-H"	44.97116
"187889"	628.103518	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+2Na"	45.978436
"625138"	930.660668	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+2Na"	45.978436
"1127184"	325.546368	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2Na"	45.978436
"1412894"	217.366670666667	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H+2Na"	46.985712
"1444648"	652.127046	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H+HCOOH"	47.012746
"233608"	633.13654	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+3H2O+2H"	56.04448
"1522764"	666.17909	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+IsoProp+H"	61.06479
"412975"	636.090488	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+Na+K"	61.952376
"777980"	938.647638	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+Na+K"	61.952376
"1675046"	333.533338	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Na+K"	61.952376
"262663"	1274.244368	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+ACN+Na"	64.015768
"1235370"	669.130068	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+ACN+Na"	64.015768
"1719148"	669.153593	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+NH4+HCOOH"	64.039293
"1182316"	224.693984666667	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+3Na"	68.967654
"1656581"	674.108988	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Na+HCOOH"	68.994688
"166723"	1287.14764	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+2K-H"	76.91904
"604097"	1892.26194	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+2K-H"	76.91904
"1090431"	682.03334	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2K-H"	76.91904
"146519"	644.077458	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"2M+2K"	77.926316
"588265"	946.634608	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"3M+2K"	77.926316
"1074967"	341.520308	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2K"	77.926316
"1108176"	684.047892	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2K+H"	78.933592
"1343469"	684.135507	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+DMSO+H"	79.021207
"1013093"	688.174676	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2ACN+H"	83.060376
"1533408"	689.168308	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+IsoProp+Na+H"	84.054008
"1002042"	344.590976	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+2ACN+2H"	84.067652
"1594360"	690.082928	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+K+HCOOH"	84.968628
"1425487"	720.114438	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+H+CF3COOH"	115.000138
"1150311"	365.104251	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+3ACN+2H"	125.094202
"1699131"	737.140985	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+NH4+CF3COOH"	132.026685
"1639887"	742.09638	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+Na+CF3COOH"	136.98208
"1583194"	758.07032	"C16288"	"Pelargonidin 3-O-36-O-dimalonylglucoside"	"C27H25O16"	"605.1143"	"M+K+CF3COOH"	152.95602
"816238"	621.1092	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M"	0
"988190"	602.09081	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-H2O-H"	-19.01839
"78540"	413.065524	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M-3H"	-3.021828
"518520"	620.101924	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M-3H"	-3.021828
"895543"	206.029124	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-3H"	-3.021828
"14556"	620.101924	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M-2H"	-2.014552
"453021"	930.656524	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M-2H"	-2.014552
"820980"	309.547324	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-2H"	-2.014552
"78709"	1241.211124	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M-H"	-1.007276
"521625"	1862.320324	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M-H"	-1.007276
"896388"	620.101924	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-H"	-1.007276
"50523"	1258.237671	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M-2H+NH4"	16.019271
"488988"	1879.346871	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M-2H+NH4"	16.019271
"864844"	637.128471	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-2H+NH4"	16.019271
"32254"	1263.193066	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M-2H+Na"	20.974666
"471610"	1884.302266	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M-2H+Na"	20.974666
"849494"	642.083866	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-2H+Na"	20.974666
"1618465"	642.083866	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Na-2H"	20.974666
"94296"	638.090263	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M-H+Cl"	33.962126
"539870"	948.644863	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M-H+Cl"	33.962126
"940677"	327.535663	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-H+Cl"	33.962126
"279599"	1277.187802	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+Cl"	34.969402
"675585"	1898.297002	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+Cl"	34.969402
"1287589"	656.078602	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Cl"	34.969402
"27716"	1279.167006	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M-2H+K"	36.948606
"462175"	1900.276206	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M-2H+K"	36.948606
"842165"	658.057806	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-2H+K"	36.948606
"1563466"	658.057806	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+K-2H"	36.948606
"951351"	666.107394	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-H+HCOOH"	44.998194
"372847"	1287.216601	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+HCOOH-H"	44.998201
"351262"	1301.232251	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+Hac-H"	59.013851
"1496816"	680.123051	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Hac-H"	59.013851
"959983"	688.089351	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-H+NaCOOH"	66.980151
"112171"	656.078602	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+2Cl"	69.938804
"553191"	966.633202	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+2Cl"	69.938804
"1024176"	345.524002	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2Cl"	69.938804
"1248859"	700.028085	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Br"	78.918885
"1314224"	702.084072	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Cl+HCOOH"	80.974872
"1332086"	724.066029	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Cl+NaCOOH"	102.956829
"922783"	734.094786	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M-H+CF3COOH"	112.985586
"1299855"	770.071464	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Cl+CF3COOH"	148.962264
"1374737"	586.096524	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H-2H2O"	-35.012676
"1388951"	604.1065	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H-H2O"	-17.0027
"296902"	1243.225676	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+H"	1.007276
"689445"	1864.334876	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+H"	1.007276
"1361788"	622.116476	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H"	1.007276
"134676"	622.116476	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+2H"	2.014552
"573143"	932.671076	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+2H"	2.014552
"1047409"	311.561876	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2H"	2.014552
"212030"	415.080076	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+3H"	3.021828
"652684"	622.116476	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+3H"	3.021828
"1170810"	208.043676	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+3H"	3.021828
"434083"	1260.252223	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+NH4"	18.033823
"789611"	1881.361423	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+NH4"	18.033823
"1687034"	639.143023	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+NH4"	18.033823
"332760"	630.6297495	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+H+NH4"	19.041099
"725546"	941.1843495	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+H+NH4"	19.041099
"1481189"	320.0751495	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H+NH4"	19.041099
"395861"	1265.207618	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+Na"	22.989218
"760137"	1886.316818	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+Na"	22.989218
"1610422"	644.098418	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Na"	22.989218
"320463"	633.107447	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+H+Na"	23.996494
"711790"	943.662047	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+H+Na"	23.996494
"1468896"	322.552847	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H+Na"	23.996494
"1056673"	215.37099	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2H+Na"	25.00377
"1266008"	654.142686	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+CH3OH+H"	33.033486
"391147"	1281.181558	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+K"	38.963158
"752872"	1902.290758	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+K"	38.963158
"1549819"	660.072358	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+K"	38.963158
"311372"	641.094417	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+H+K"	39.970434
"706594"	951.649017	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+H+K"	39.970434
"1460413"	330.539817	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H+K"	39.970434
"244029"	1284.252226	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+ACN+H"	42.033826
"1223304"	663.143026	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+ACN+H"	42.033826
"1206092"	332.075151	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+ACN+2H"	43.041102
"190580"	1287.18956	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+2Na-H"	44.97116
"633057"	1908.29876	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+2Na-H"	44.97116
"1139843"	666.08036	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2Na-H"	44.97116
"186414"	644.098418	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+2Na"	45.978436
"623787"	954.653018	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+2Na"	45.978436
"1128386"	333.543818	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2Na"	45.978436
"1410816"	222.698304	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H+2Na"	46.985712
"1442930"	668.121946	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H+HCOOH"	47.012746
"232626"	649.13144	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+3H2O+2H"	56.04448
"1519594"	682.17399	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+IsoProp+H"	61.06479
"409801"	652.085388	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+Na+K"	61.952376
"770793"	962.639988	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+Na+K"	61.952376
"1677707"	341.530788	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Na+K"	61.952376
"263501"	1306.234168	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+ACN+Na"	64.015768
"1238029"	685.124968	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+ACN+Na"	64.015768
"1719258"	685.148493	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+NH4+HCOOH"	64.039293
"1185706"	230.025618	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+3Na"	68.967654
"1658878"	690.103888	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Na+HCOOH"	68.994688
"170113"	1319.13744	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+2K-H"	76.91904
"606394"	1940.24664	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+2K-H"	76.91904
"1097834"	698.02824	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2K-H"	76.91904
"148817"	660.072358	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"2M+2K"	77.926316
"592751"	970.626958	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"3M+2K"	77.926316
"1082006"	349.517758	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2K"	77.926316
"1113757"	700.042792	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2K+H"	78.933592
"1348685"	700.130407	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+DMSO+H"	79.021207
"1016483"	704.169576	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2ACN+H"	83.060376
"1534611"	705.163208	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+IsoProp+Na+H"	84.054008
"1001060"	352.588426	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+2ACN+2H"	84.067652
"1597750"	706.077828	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+K+HCOOH"	84.968628
"1428877"	736.109338	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+H+CF3COOH"	115.000138
"1151514"	373.101701	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+3ACN+2H"	125.094202
"1701063"	753.135885	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+NH4+CF3COOH"	132.026685
"1641090"	758.09128	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+Na+CF3COOH"	136.98208
"1583304"	774.06522	"C16289"	"Cyanidin 3-O-36-O-dimalonylglucoside"	"C27H25O17"	"621.1092"	"M+K+CF3COOH"	152.95602
"813674"	637.1041	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M"	0
"987206"	618.08571	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-H2O-H"	-19.01839
"75449"	423.728790666667	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M-3H"	-3.021828
"516103"	636.096824	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M-3H"	-3.021828
"892811"	211.360757333333	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-3H"	-3.021828
"9198"	636.096824	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M-2H"	-2.014552
"450946"	954.648874	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M-2H"	-2.014552
"824370"	317.544774	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-2H"	-2.014552
"78807"	1273.200924	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M-H"	-1.007276
"518939"	1910.305024	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M-H"	-1.007276
"895715"	636.096824	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-H"	-1.007276
"50632"	1290.227471	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M-2H+NH4"	16.019271
"487121"	1927.331571	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M-2H+NH4"	16.019271
"864281"	653.123371	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-2H+NH4"	16.019271
"31503"	1295.182866	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M-2H+Na"	20.974666
"471513"	1932.286966	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M-2H+Na"	20.974666
"848625"	658.078766	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-2H+Na"	20.974666
"1618474"	658.078766	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Na-2H"	20.974666
"94650"	654.085163	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M-H+Cl"	33.962126
"539980"	972.637213	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M-H+Cl"	33.962126
"939694"	335.533113	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-H+Cl"	33.962126
"278613"	1309.177602	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+Cl"	34.969402
"671037"	1946.281702	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+Cl"	34.969402
"1287946"	672.073502	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Cl"	34.969402
"29283"	1311.156806	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M-2H+K"	36.948606
"464468"	1948.260906	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M-2H+K"	36.948606
"838990"	674.052706	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-2H+K"	36.948606
"1560294"	674.052706	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+K-2H"	36.948606
"955465"	682.102294	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-H+HCOOH"	44.998194
"367489"	1319.206401	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+HCOOH-H"	44.998201
"353561"	1333.222051	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+Hac-H"	59.013851
"1500207"	696.117951	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Hac-H"	59.013851
"961187"	704.084251	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-H+NaCOOH"	66.980151
"120663"	672.073502	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+2Cl"	69.938804
"555123"	990.625552	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+2Cl"	69.938804
"1025379"	353.521452	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2Cl"	69.938804
"1245688"	716.022985	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Br"	78.918885
"1313603"	718.078972	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Cl+HCOOH"	80.974872
"1332196"	740.060929	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Cl+NaCOOH"	102.956829
"922163"	750.089686	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M-H+CF3COOH"	112.985586
"1299965"	786.066364	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Cl+CF3COOH"	148.962264
"1375940"	602.091424	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H-2H2O"	-35.012676
"1389061"	620.1014	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H-H2O"	-17.0027
"297742"	1275.215476	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+H"	1.007276
"688828"	1912.319576	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+H"	1.007276
"1364084"	638.111376	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H"	1.007276
"132599"	638.111376	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+2H"	2.014552
"574346"	956.663426	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+2H"	2.014552
"1047520"	319.559326	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2H"	2.014552
"212140"	425.743342666667	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+3H"	3.021828
"654980"	638.111376	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+3H"	3.021828
"1172013"	213.375309333333	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+3H"	3.021828
"433100"	1292.242023	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+NH4"	18.033823
"789357"	1929.346123	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+NH4"	18.033823
"1686051"	655.137923	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+NH4"	18.033823
"334328"	646.6246495	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+H+NH4"	19.041099
"728209"	965.1766995	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+H+NH4"	19.041099
"1479109"	328.0725995	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H+NH4"	19.041099
"397066"	1297.197418	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+Na"	22.989218
"759154"	1934.301518	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+Na"	22.989218
"1611625"	660.093318	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Na"	22.989218
"326041"	649.102347	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+H+Na"	23.996494
"716275"	967.654397	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+H+Na"	23.996494
"1467913"	330.550297	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H+Na"	23.996494
"1058969"	220.702623333333	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2H+Na"	25.00377
"1266118"	670.137586	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+CH3OH+H"	33.033486
"391986"	1313.171358	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+K"	38.963158
"752982"	1950.275458	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+K"	38.963158
"1555034"	676.067258	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+K"	38.963158
"312211"	657.089317	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+H+K"	39.970434
"706974"	975.641367	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+H+K"	39.970434
"1461211"	338.537267	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H+K"	39.970434
"249608"	1316.242026	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+ACN+H"	42.033826
"1217945"	679.137926	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+ACN+H"	42.033826
"1206202"	340.072601	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+ACN+2H"	43.041102
"194700"	1319.17936	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+2Na-H"	44.97116
"635353"	1956.28346	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+2Na-H"	44.97116
"1137766"	682.07526	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2Na-H"	44.97116
"183243"	660.093318	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+2Na"	45.978436
"620617"	978.645368	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+2Na"	45.978436
"1120477"	341.541268	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2Na"	45.978436
"1410926"	228.029937333333	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H+2Na"	46.985712
"1434658"	684.116846	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H+HCOOH"	47.012746
"230549"	665.12634	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+3H2O+2H"	56.04448
"1513508"	698.16889	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+IsoProp+H"	61.06479
"408939"	668.080288	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+Na+K"	61.952376
"770543"	986.632338	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+Na+K"	61.952376
"1678910"	349.528238	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Na+K"	61.952376
"263974"	1338.223968	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+ACN+Na"	64.015768
"1234859"	701.119868	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+ACN+Na"	64.015768
"1717180"	701.143393	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+NH4+HCOOH"	64.039293
"1183628"	235.357251333333	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+3Na"	68.967654
"1654249"	706.098788	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Na+HCOOH"	68.994688
"166943"	1351.12724	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+2K-H"	76.91904
"606504"	1988.23134	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+2K-H"	76.91904
"1095390"	714.02314	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2K-H"	76.91904
"148926"	676.067258	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"2M+2K"	77.926316
"592861"	994.619308	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"3M+2K"	77.926316
"1081747"	357.515208	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2K"	77.926316
"1114597"	716.037692	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2K+H"	78.933592
"1345875"	716.125307	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+DMSO+H"	79.021207
"1015500"	720.164476	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2ACN+H"	83.060376
"1532533"	721.158108	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+IsoProp+Na+H"	84.054008
"1000074"	360.585876	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+2ACN+2H"	84.067652
"1597858"	722.072728	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+K+HCOOH"	84.968628
"1426799"	752.104238	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+H+CF3COOH"	115.000138
"1150531"	381.099151	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+3ACN+2H"	125.094202
"1698988"	769.130785	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+NH4+CF3COOH"	132.026685
"1640107"	774.08618	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+Na+CF3COOH"	136.98208
"1583414"	790.06012	"C16290"	"Delphinidin 3-O-36-O-dimalonylglucoside"	"C27H25O18"	"637.1041"	"M+K+CF3COOH"	152.95602
"813784"	538.4539	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M"	0
"986223"	519.43551	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-H2O-H"	-19.01839
"75559"	357.961990666667	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M-3H"	-3.021828
"515120"	537.446624	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M-3H"	-3.021828
"890735"	178.477357333333	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-3H"	-3.021828
"9308"	537.446624	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M-2H"	-2.014552
"449962"	806.673574	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M-2H"	-2.014552
"824480"	268.219674	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-2H"	-2.014552
"78994"	1075.900524	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M-H"	-1.007276
"519049"	1614.354424	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M-H"	-1.007276
"895873"	537.446624	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-H"	-1.007276
"51106"	1092.927071	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M-2H+NH4"	16.019271
"487414"	1631.380971	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M-2H+NH4"	16.019271
"864455"	554.473171	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-2H+NH4"	16.019271
"32106"	1097.882466	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M-2H+Na"	20.974666
"471868"	1636.336366	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M-2H+Na"	20.974666
"848901"	559.428566	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-2H+Na"	20.974666
"1618529"	559.428566	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Na-2H"	20.974666
"94685"	555.434963	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M-H+Cl"	33.962126
"540090"	824.661913	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M-H+Cl"	33.962126
"938711"	286.208013	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-H+Cl"	33.962126
"276537"	1111.877202	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+Cl"	34.969402
"671147"	1650.331102	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+Cl"	34.969402
"1287081"	573.423302	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Cl"	34.969402
"27936"	1113.856406	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M-2H+K"	36.948606
"462392"	1652.310306	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M-2H+K"	36.948606
"836913"	575.402506	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-2H+K"	36.948606
"1561496"	575.402506	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+K-2H"	36.948606
"952659"	583.452094	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-H+HCOOH"	44.998194
"364316"	1121.906001	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+HCOOH-H"	44.998201
"350390"	1135.921651	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+Hac-H"	59.013851
"1495942"	597.467751	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Hac-H"	59.013851
"959107"	605.434051	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-H+NaCOOH"	66.980151
"114577"	573.423302	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+2Cl"	69.938804
"555233"	842.650252	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+2Cl"	69.938804
"1023667"	304.196352	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2Cl"	69.938804
"1244702"	617.372785	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Br"	78.918885
"1313713"	619.428772	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Cl+HCOOH"	80.974872
"1331213"	641.410729	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Cl+NaCOOH"	102.956829
"921180"	651.439486	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M-H+CF3COOH"	112.985586
"1300075"	687.416164	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Cl+CF3COOH"	148.962264
"1373863"	503.441224	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H-2H2O"	-35.012676
"1385891"	521.4512	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H-H2O"	-17.0027
"294327"	1077.915076	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+H"	1.007276
"688936"	1616.368976	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+H"	1.007276
"1365773"	539.461176	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H"	1.007276
"135987"	539.461176	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+2H"	2.014552
"577734"	808.688126	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+2H"	2.014552
"1049816"	270.234226	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2H"	2.014552
"208605"	359.976542666667	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+3H"	3.021828
"653997"	539.461176	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+3H"	3.021828
"1172123"	180.491909333333	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+3H"	3.021828
"433210"	1094.941623	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+NH4"	18.033823
"788372"	1633.395523	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+NH4"	18.033823
"1686161"	556.487723	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+NH4"	18.033823
"334438"	547.9744495	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+H+NH4"	19.041099
"726496"	817.2013995	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+H+NH4"	19.041099
"1479584"	278.7474995	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H+NH4"	19.041099
"396809"	1099.897018	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+Na"	22.989218
"757077"	1638.350918	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+Na"	22.989218
"1610642"	561.443118	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Na"	22.989218
"318493"	550.452147	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+H+Na"	23.996494
"710548"	819.679097	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+H+Na"	23.996494
"1466927"	281.225197	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H+Na"	23.996494
"1057985"	187.819223333333	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2H+Na"	25.00377
"1269506"	571.487386	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+CH3OH+H"	33.033486
"389544"	1115.870958	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+K"	38.963158
"753092"	1654.324858	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+K"	38.963158
"1554780"	577.417058	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+K"	38.963158
"309405"	558.439117	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+H+K"	39.970434
"706205"	827.666067	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+H+K"	39.970434
"1460023"	289.212167	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H+K"	39.970434
"249358"	1118.941626	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+ACN+H"	42.033826
"1216962"	580.487726	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+ACN+H"	42.033826
"1201938"	290.747501	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+ACN+2H"	43.041102
"195903"	1121.87896	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+2Na-H"	44.97116
"633276"	1660.33286	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+2Na-H"	44.97116
"1136782"	583.42506	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2Na-H"	44.97116
"183353"	561.443118	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+2Na"	45.978436
"619633"	830.670068	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+2Na"	45.978436
"1121316"	292.216168	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2Na"	45.978436
"1411036"	195.146537333333	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H+2Na"	46.985712
"1436590"	585.466646	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H+HCOOH"	47.012746
"229566"	566.47614	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+3H2O+2H"	56.04448
"1512524"	599.51869	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+IsoProp+H"	61.06479
"410387"	569.430088	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+Na+K"	61.952376
"771016"	838.657038	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+Na+K"	61.952376
"1676832"	300.203138	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Na+K"	61.952376
"263356"	1140.923568	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+ACN+Na"	64.015768
"1234969"	602.469668	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+ACN+Na"	64.015768
"1717290"	602.493193	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+NH4+HCOOH"	64.039293
"1183738"	202.473851333333	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+3Na"	68.967654
"1650021"	607.448588	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Na+HCOOH"	68.994688
"165959"	1153.82684	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+2K-H"	76.91904
"606979"	1692.28074	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+2K-H"	76.91904
"1093313"	615.37294	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2K-H"	76.91904
"149036"	577.417058	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"2M+2K"	77.926316
"589690"	846.644008	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"3M+2K"	77.926316
"1080401"	308.190108	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2K"	77.926316
"1108508"	617.387492	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2K+H"	78.933592
"1342706"	617.475107	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+DMSO+H"	79.021207
"1012330"	621.514276	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2ACN+H"	83.060376
"1531550"	622.507908	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+IsoProp+Na+H"	84.054008
"999091"	311.260776	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+2ACN+2H"	84.067652
"1596875"	623.422528	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+K+HCOOH"	84.968628
"1424723"	653.454038	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+H+CF3COOH"	115.000138
"1150641"	331.774051	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+3ACN+2H"	125.094202
"1698369"	670.480585	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+NH4+CF3COOH"	132.026685
"1640217"	675.43598	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+Na+CF3COOH"	136.98208
"1583524"	691.40992	"C16291"	"78-Dihydro-beta-carotene"	"C40H58"	"538.4539"	"M+K+CF3COOH"	152.95602
"814987"	903.2559	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M"	0
"988519"	884.23751	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-H2O-H"	-19.01839
"76763"	601.163324	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M-3H"	-3.021828
"518146"	902.248624	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M-3H"	-3.021828
"890844"	300.078024	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-3H"	-3.021828
"9418"	902.248624	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M-2H"	-2.014552
"452260"	1353.876574	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M-2H"	-2.014552
"827871"	450.620674	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-2H"	-2.014552
"81301"	1805.504524	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M-H"	-1.007276
"528518"	2708.760424	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M-H"	-1.007276
"900852"	902.248624	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-H"	-1.007276
"51947"	1822.531071	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M-2H+NH4"	16.019271
"491505"	2725.786971	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M-2H+NH4"	16.019271
"869307"	919.275171	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-2H+NH4"	16.019271
"37206"	1827.486466	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M-2H+Na"	20.974666
"472066"	2730.742366	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M-2H+Na"	20.974666
"849018"	924.230566	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-2H+Na"	20.974666
"1618832"	924.230566	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Na-2H"	20.974666
"95403"	920.236963	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M-H+Cl"	33.962126
"539107"	1371.864913	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M-H+Cl"	33.962126
"934809"	468.609013	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-H+Cl"	33.962126
"274460"	1841.481202	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+Cl"	34.969402
"670162"	2744.737102	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+Cl"	34.969402
"1286704"	938.225302	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Cl"	34.969402
"30721"	1843.460406	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M-2H+K"	36.948606
"463596"	2746.716306	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M-2H+K"	36.948606
"841398"	940.204506	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-2H+K"	36.948606
"1562699"	940.204506	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+K-2H"	36.948606
"951676"	948.254094	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-H+HCOOH"	44.998194
"369893"	1851.510001	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+HCOOH-H"	44.998201
"356691"	1865.525651	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+Hac-H"	59.013851
"1497146"	962.269751	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Hac-H"	59.013851
"964687"	970.236051	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-H+NaCOOH"	66.980151
"113594"	938.225302	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+2Cl"	69.938804
"552791"	1389.853252	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+2Cl"	69.938804
"1025233"	486.597352	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2Cl"	69.938804
"1249185"	982.174785	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Br"	78.918885
"1311636"	984.230772	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Cl+HCOOH"	80.974872
"1328042"	1006.212729	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Cl+NaCOOH"	102.956829
"918008"	1016.241486	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M-H+CF3COOH"	112.985586
"1299092"	1052.218164	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Cl+CF3COOH"	148.962264
"1373973"	868.243224	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H-2H2O"	-35.012676
"1388187"	886.2532	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H-H2O"	-17.0027
"294437"	1807.519076	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+H"	1.007276
"690139"	2710.774976	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+H"	1.007276
"1365396"	904.263176	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H"	1.007276
"137192"	904.263176	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+2H"	2.014552
"576751"	1355.891126	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+2H"	2.014552
"1051019"	452.635226	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2H"	2.014552
"219529"	603.177876	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+3H"	3.021828
"651190"	904.263176	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+3H"	3.021828
"1170775"	302.092576	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+3H"	3.021828
"435507"	1824.545623	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+NH4"	18.033823
"787023"	2727.801523	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+NH4"	18.033823
"1685542"	921.289723	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+NH4"	18.033823
"334184"	912.7764495	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+H+NH4"	19.041099
"726605"	1364.4043995	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+H+NH4"	19.041099
"1481157"	461.1484995	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H+NH4"	19.041099
"397285"	1829.501018	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+Na"	22.989218
"757187"	2732.756918	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+Na"	22.989218
"1610752"	926.245118	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Na"	22.989218
"319696"	915.254147	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+H+Na"	23.996494
"712117"	1366.882097	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+H+Na"	23.996494
"1464846"	463.626197	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H+Na"	23.996494
"1059188"	309.41989	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2H+Na"	25.00377
"1270709"	936.289386	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+CH3OH+H"	33.033486
"386007"	1845.474958	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+K"	38.963158
"749919"	2748.730858	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+K"	38.963158
"1554163"	942.219058	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+K"	38.963158
"310608"	923.241117	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+H+K"	39.970434
"705952"	1374.869067	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+H+K"	39.970434
"1459286"	471.613167	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H+K"	39.970434
"250198"	1848.545626	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+ACN+H"	42.033826
"1213791"	945.289726	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+ACN+H"	42.033826
"1200955"	473.148501	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+ACN+2H"	43.041102
"196013"	1851.48296	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+2Na-H"	44.97116
"635573"	2754.73886	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+2Na-H"	44.97116
"1136894"	948.22706	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2Na-H"	44.97116
"182371"	926.245118	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+2Na"	45.978436
"625209"	1377.873068	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+2Na"	45.978436
"1127622"	474.617168	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2Na"	45.978436
"1410053"	316.747204	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H+2Na"	46.985712
"1441074"	950.268646	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H+HCOOH"	47.012746
"228583"	931.27814	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+3H2O+2H"	56.04448
"1514457"	964.32069	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+IsoProp+H"	61.06479
"410497"	934.232088	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+Na+K"	61.952376
"772221"	1385.860038	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+Na+K"	61.952376
"1678035"	482.604138	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Na+K"	61.952376
"264194"	1870.527568	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+ACN+Na"	64.015768
"1233985"	967.271668	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+ACN+Na"	64.015768
"1714484"	967.295193	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+NH4+HCOOH"	64.039293
"1179067"	324.074518	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+3Na"	68.967654
"1651553"	972.250588	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Na+HCOOH"	68.994688
"163882"	1883.43084	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+2K-H"	76.91904
"608912"	2786.68674	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+2K-H"	76.91904
"1094516"	980.17494	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2K-H"	76.91904
"148053"	942.219058	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"2M+2K"	77.926316
"587614"	1393.847008	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"3M+2K"	77.926316
"1079780"	490.591108	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2K"	77.926316
"1108615"	982.189492	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2K+H"	78.933592
"1345002"	982.277107	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+DMSO+H"	79.021207
"1014626"	986.316276	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2ACN+H"	83.060376
"1535670"	987.309908	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+IsoProp+Na+H"	84.054008
"999201"	493.661776	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+2ACN+2H"	84.067652
"1596985"	988.224528	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+K+HCOOH"	84.968628
"1421550"	1018.256038	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+H+CF3COOH"	115.000138
"1154031"	514.175051	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+3ACN+2H"	125.094202
"1699208"	1035.282585	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+NH4+CF3COOH"	132.026685
"1640326"	1040.23798	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+Na+CF3COOH"	136.98208
"1583634"	1056.21192	"C16292"	"Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O22"	"903.2559"	"M+K+CF3COOH"	152.95602
"814003"	917.2715	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M"	0
"988629"	898.25311	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-H2O-H"	-19.01839
"76509"	610.507057333333	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M-3H"	-3.021828
"516799"	916.264224	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M-3H"	-3.021828
"892047"	304.749890666667	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-3H"	-3.021828
"13175"	916.264224	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M-2H"	-2.014552
"450183"	1374.899974	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M-2H"	-2.014552
"821422"	457.628474	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-2H"	-2.014552
"82870"	1833.535724	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M-H"	-1.007276
"524255"	2750.807224	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M-H"	-1.007276
"900963"	916.264224	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-H"	-1.007276
"50965"	1850.562271	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M-2H+NH4"	16.019271
"491615"	2767.833771	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M-2H+NH4"	16.019271
"866379"	933.290771	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-2H+NH4"	16.019271
"40596"	1855.517666	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M-2H+Na"	20.974666
"477972"	2772.789166	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M-2H+Na"	20.974666
"852493"	938.246166	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-2H+Na"	20.974666
"1620082"	938.246166	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Na-2H"	20.974666
"96367"	934.252563	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M-H+Cl"	33.962126
"540310"	1392.888313	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M-H+Cl"	33.962126
"932729"	475.616813	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-H+Cl"	33.962126
"273475"	1869.512402	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+Cl"	34.969402
"671001"	2786.783902	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+Cl"	34.969402
"1285963"	952.240902	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Cl"	34.969402
"30707"	1871.491606	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M-2H+K"	36.948606
"466984"	2788.763106	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M-2H+K"	36.948606
"843691"	954.220106	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-2H+K"	36.948606
"1566816"	954.220106	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+K-2H"	36.948606
"954334"	962.269694	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-H+HCOOH"	44.998194
"372186"	1879.541201	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+HCOOH-H"	44.998201
"353884"	1893.556851	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+Hac-H"	59.013851
"1499441"	976.285351	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Hac-H"	59.013851
"963702"	984.251651	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-H+NaCOOH"	66.980151
"110158"	952.240902	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+2Cl"	69.938804
"552169"	1410.876652	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+2Cl"	69.938804
"1025343"	493.605152	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2Cl"	69.938804
"1247109"	996.190385	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Br"	78.918885
"1306277"	998.246372	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Cl+HCOOH"	80.974872
"1323776"	1020.228329	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Cl+NaCOOH"	102.956829
"921395"	1030.257086	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M-H+CF3COOH"	112.985586
"1295918"	1066.233764	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Cl+CF3COOH"	148.962264
"1371894"	882.258824	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H-2H2O"	-35.012676
"1391577"	900.2688	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H-H2O"	-17.0027
"295638"	1835.550276	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+H"	1.007276
"688789"	2752.821776	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+H"	1.007276
"1361129"	918.278776	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H"	1.007276
"136204"	918.278776	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+2H"	2.014552
"577956"	1376.914526	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+2H"	2.014552
"1051126"	459.643026	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2H"	2.014552
"217937"	612.521609333333	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+3H"	3.021828
"656402"	918.278776	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+3H"	3.021828
"1176595"	306.764442666667	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+3H"	3.021828
"435613"	1852.576823	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+NH4"	18.033823
"799892"	2769.848323	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+NH4"	18.033823
"1695860"	935.305323	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+NH4"	18.033823
"341219"	926.7920495	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+H+NH4"	19.041099
"727080"	1385.4277995	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+H+NH4"	19.041099
"1478714"	468.1562995	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H+NH4"	19.041099
"397395"	1857.532218	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+Na"	22.989218
"757297"	2774.803718	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+Na"	22.989218
"1615236"	940.260718	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Na"	22.989218
"319806"	929.269747	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+H+Na"	23.996494
"716601"	1387.905497	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+H+Na"	23.996494
"1464957"	470.633997	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H+Na"	23.996494
"1058205"	314.091756666667	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2H+Na"	25.00377
"1270091"	950.304986	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+CH3OH+H"	33.033486
"387941"	1873.506158	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+K"	38.963158
"751124"	2790.777658	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+K"	38.963158
"1555122"	956.234658	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+K"	38.963158
"312540"	937.256717	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+H+K"	39.970434
"705333"	1395.892467	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+H+K"	39.970434
"1460124"	478.620967	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H+K"	39.970434
"250798"	1876.576826	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+ACN+H"	42.033826
"1218275"	959.305326	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+ACN+H"	42.033826
"1202159"	480.156301	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+ACN+2H"	43.041102
"196123"	1879.51416	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+2Na-H"	44.97116
"635683"	2796.78566	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+2Na-H"	44.97116
"1137003"	962.24266	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2Na-H"	44.97116
"183574"	940.260718	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+2Na"	45.978436
"624955"	1398.896468	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+2Na"	45.978436
"1128462"	481.624968	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2Na"	45.978436
"1407976"	321.419070666667	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H+2Na"	46.985712
"1438999"	964.284246	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H+HCOOH"	47.012746
"222496"	945.29374	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+3H2O+2H"	56.04448
"1512744"	978.33629	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+IsoProp+H"	61.06479
"413159"	948.247688	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+Na+K"	61.952376
"775246"	1406.883438	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+Na+K"	61.952376
"1678144"	489.611938	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Na+K"	61.952376
"261385"	1898.558768	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+ACN+Na"	64.015768
"1232270"	981.287268	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+ACN+Na"	64.015768
"1714594"	981.310793	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+NH4+HCOOH"	64.039293
"1178976"	328.746384666667	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+3Na"	68.967654
"1650198"	986.266188	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Na+HCOOH"	68.994688
"157209"	1911.46204	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+2K-H"	76.91904
"599908"	2828.73354	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+2K-H"	76.91904
"1092440"	994.19054	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2K-H"	76.91904
"148163"	956.234658	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"2M+2K"	77.926316
"585537"	1414.870408	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"3M+2K"	77.926316
"1069197"	497.598908	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2K"	77.926316
"1105445"	996.205092	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2K+H"	78.933592
"1345112"	996.292707	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+DMSO+H"	79.021207
"1011454"	1000.331876	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2ACN+H"	83.060376
"1531770"	1001.325508	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+IsoProp+Na+H"	84.054008
"998217"	500.669576	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+2ACN+2H"	84.067652
"1594908"	1002.240128	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+K+HCOOH"	84.968628
"1421659"	1032.271638	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+H+CF3COOH"	115.000138
"1148306"	521.182851	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+3ACN+2H"	125.094202
"1697250"	1049.298185	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+NH4+CF3COOH"	132.026685
"1639343"	1054.25358	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+Na+CF3COOH"	136.98208
"1583744"	1070.22752	"C16293"	"Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O22"	"917.2715"	"M+K+CF3COOH"	152.95602
"813020"	919.2508	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M"	0
"987645"	900.23241	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-H2O-H"	-19.01839
"76983"	611.826590666667	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M-3H"	-3.021828
"514356"	918.243524	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M-3H"	-3.021828
"891064"	305.409657333333	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-3H"	-3.021828
"13285"	918.243524	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M-2H"	-2.014552
"450293"	1377.868924	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M-2H"	-2.014552
"821532"	458.618124	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-2H"	-2.014552
"83709"	1837.494324	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M-H"	-1.007276
"523636"	2756.745124	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M-H"	-1.007276
"901073"	918.243524	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-H"	-1.007276
"52168"	1854.520871	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M-2H+NH4"	16.019271
"491725"	2773.771671	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M-2H+NH4"	16.019271
"866247"	935.270071	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-2H+NH4"	16.019271
"40706"	1859.476266	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M-2H+Na"	20.974666
"478082"	2778.727066	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M-2H+Na"	20.974666
"853696"	940.225466	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-2H+Na"	20.974666
"1619949"	940.225466	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Na-2H"	20.974666
"95746"	936.231863	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M-H+Cl"	33.962126
"536409"	1395.857263	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M-H+Cl"	33.962126
"931746"	476.606463	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-H+Cl"	33.962126
"274678"	1873.471002	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+Cl"	34.969402
"671475"	2792.721802	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+Cl"	34.969402
"1286073"	954.220202	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Cl"	34.969402
"30616"	1875.450206	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M-2H+K"	36.948606
"467094"	2794.701006	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M-2H+K"	36.948606
"844894"	956.199406	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-2H+K"	36.948606
"1567290"	956.199406	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+K-2H"	36.948606
"955901"	964.248994	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-H+HCOOH"	44.998194
"372295"	1883.499801	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+HCOOH-H"	44.998201
"352901"	1897.515451	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+Hac-H"	59.013851
"1497363"	978.264651	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Hac-H"	59.013851
"967091"	986.230951	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-H+NaCOOH"	66.980151
"110281"	954.220202	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+2Cl"	69.938804
"550447"	1413.845602	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+2Cl"	69.938804
"1021926"	494.594802	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2Cl"	69.938804
"1242845"	998.169685	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Br"	78.918885
"1305656"	1000.225672	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Cl+HCOOH"	80.974872
"1323886"	1022.207629	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Cl+NaCOOH"	102.956829
"918225"	1032.236386	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M-H+CF3COOH"	112.985586
"1296028"	1068.213064	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Cl+CF3COOH"	148.962264
"1372004"	884.238124	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H-2H2O"	-35.012676
"1390594"	902.2481	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H-H2O"	-17.0027
"295748"	1839.508876	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+H"	1.007276
"687076"	2758.759676	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+H"	1.007276
"1360146"	920.258076	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H"	1.007276
"133034"	920.258076	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+2H"	2.014552
"576972"	1379.883476	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+2H"	2.014552
"1050143"	460.632676	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2H"	2.014552
"218047"	613.841142666667	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+3H"	3.021828
"658698"	920.258076	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+3H"	3.021828
"1177190"	307.424209333333	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+3H"	3.021828
"435723"	1856.535423	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+NH4"	18.033823
"796722"	2775.786223	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+NH4"	18.033823
"1694147"	937.284623	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+NH4"	18.033823
"342422"	928.7713495	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+H+NH4"	19.041099
"728284"	1388.3967495	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+H+NH4"	19.041099
"1481012"	469.1459495	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H+NH4"	19.041099
"397505"	1861.490818	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+Na"	22.989218
"756314"	2780.741618	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+Na"	22.989218
"1614253"	942.240018	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Na"	22.989218
"319916"	931.249047	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+H+Na"	23.996494
"713431"	1390.874447	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+H+Na"	23.996494
"1468348"	471.623647	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H+Na"	23.996494
"1057220"	314.751523333333	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2H+Na"	25.00377
"1269836"	952.284286	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+CH3OH+H"	33.033486
"387687"	1877.464758	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+K"	38.963158
"752327"	2796.715558	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+K"	38.963158
"1555582"	958.213958	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+K"	38.963158
"313379"	939.236017	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+H+K"	39.970434
"706413"	1398.861417	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+H+K"	39.970434
"1460598"	479.610617	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H+K"	39.970434
"251028"	1880.535426	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+ACN+H"	42.033826
"1218385"	961.284626	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+ACN+H"	42.033826
"1201176"	481.145951	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+ACN+2H"	43.041102
"194046"	1883.47276	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+2Na-H"	44.97116
"635793"	2802.72356	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+2Na-H"	44.97116
"1136019"	964.22196	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2Na-H"	44.97116
"181498"	942.240018	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+2Na"	45.978436
"627616"	1401.865418	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+2Na"	45.978436
"1128936"	482.614618	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2Na"	45.978436
"1408086"	322.078837333333	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H+2Na"	46.985712
"1438015"	966.263546	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H+HCOOH"	47.012746
"222606"	947.27304	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+3H2O+2H"	56.04448
"1512489"	980.31559	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+IsoProp+H"	61.06479
"412175"	950.226988	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+Na+K"	61.952376
"775357"	1409.852388	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+Na+K"	61.952376
"1677161"	490.601588	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Na+K"	61.952376
"260402"	1902.517368	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+ACN+Na"	64.015768
"1232380"	983.266568	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+ACN+Na"	64.015768
"1714704"	983.290093	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+NH4+HCOOH"	64.039293
"1179126"	329.406151333333	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+3Na"	68.967654
"1650672"	988.245488	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Na+HCOOH"	68.994688
"157776"	1915.42064	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+2K-H"	76.91904
"598191"	2834.67144	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+2K-H"	76.91904
"1087081"	996.16984	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2K-H"	76.91904
"148273"	958.213958	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"2M+2K"	77.926316
"586740"	1417.839358	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"3M+2K"	77.926316
"1069183"	498.588558	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2K"	77.926316
"1105555"	998.184392	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2K+H"	78.933592
"1345221"	998.272007	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+DMSO+H"	79.021207
"1010471"	1002.311176	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2ACN+H"	83.060376
"1528600"	1003.304808	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+IsoProp+Na+H"	84.054008
"995047"	501.659226	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+2ACN+2H"	84.067652
"1595018"	1004.219428	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+K+HCOOH"	84.968628
"1418489"	1034.250938	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+H+CF3COOH"	115.000138
"1148052"	522.172501	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+3ACN+2H"	125.094202
"1697239"	1051.277485	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+NH4+CF3COOH"	132.026685
"1638360"	1056.23288	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+Na+CF3COOH"	136.98208
"1583854"	1072.20682	"C16294"	"Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C42H47O23"	"919.2508"	"M+K+CF3COOH"	152.95602
"816047"	933.2665	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M"	0
"988849"	914.24811	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-H2O-H"	-19.01839
"78356"	621.170390666667	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M-3H"	-3.021828
"518415"	932.259224	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M-3H"	-3.021828
"895558"	310.081557333333	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-3H"	-3.021828
"15422"	932.259224	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M-2H"	-2.014552
"451497"	1398.892474	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M-2H"	-2.014552
"827109"	465.625974	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-2H"	-2.014552
"82726"	1865.525724	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M-H"	-1.007276
"524110"	2798.792224	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M-H"	-1.007276
"901183"	932.259224	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-H"	-1.007276
"56652"	1882.552271	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M-2H+NH4"	16.019271
"491835"	2815.818771	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M-2H+NH4"	16.019271
"869637"	949.285771	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-2H+NH4"	16.019271
"40816"	1887.507666	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M-2H+Na"	20.974666
"478192"	2820.774166	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M-2H+Na"	20.974666
"853806"	954.241166	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-2H+Na"	20.974666
"1621151"	954.241166	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Na-2H"	20.974666
"98042"	950.247563	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M-H+Cl"	33.962126
"537248"	1416.880813	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M-H+Cl"	33.962126
"930763"	483.614313	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-H+Cl"	33.962126
"273695"	1901.502402	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+Cl"	34.969402
"671221"	2834.768902	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+Cl"	34.969402
"1286913"	968.235902	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Cl"	34.969402
"27647"	1903.481606	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M-2H+K"	36.948606
"466111"	2836.748106	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M-2H+K"	36.948606
"841726"	970.215106	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-2H+K"	36.948606
"1567400"	970.215106	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+K-2H"	36.948606
"955285"	978.264694	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-H+HCOOH"	44.998194
"374593"	1911.531201	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+HCOOH-H"	44.998201
"354105"	1925.546851	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+Hac-H"	59.013851
"1504029"	992.280351	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Hac-H"	59.013851
"963920"	1000.246651	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-H+NaCOOH"	66.980151
"119392"	968.235902	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+2Cl"	69.938804
"558951"	1434.869152	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+2Cl"	69.938804
"1024471"	501.602652	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2Cl"	69.938804
"1246236"	1012.185385	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Br"	78.918885
"1307590"	1014.241372	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Cl+HCOOH"	80.974872
"1323267"	1036.223329	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Cl+NaCOOH"	102.956829
"921616"	1046.252086	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M-H+CF3COOH"	112.985586
"1296139"	1082.228764	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Cl+CF3COOH"	148.962264
"1375395"	898.253824	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H-2H2O"	-35.012676
"1391797"	916.2638	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H-H2O"	-17.0027
"296951"	1867.540276	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+H"	1.007276
"688279"	2800.806776	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+H"	1.007276
"1363535"	934.273776	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H"	1.007276
"133144"	934.273776	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+2H"	2.014552
"579268"	1400.907026	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+2H"	2.014552
"1051345"	467.640526	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2H"	2.014552
"218157"	623.184942666667	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+3H"	3.021828
"658808"	934.273776	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+3H"	3.021828
"1176934"	312.096109333333	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+3H"	3.021828
"435833"	1884.566823	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+NH4"	18.033823
"799017"	2817.833323	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+NH4"	18.033823
"1694257"	951.300323	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+NH4"	18.033823
"342532"	942.7870495	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+H+NH4"	19.041099
"732769"	1409.4202995	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+H+NH4"	19.041099
"1482215"	476.1537995	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H+NH4"	19.041099
"395062"	1889.522218	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+Na"	22.989218
"765169"	2822.788718	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+Na"	22.989218
"1611081"	956.255718	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Na"	22.989218
"320023"	945.264747	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+H+Na"	23.996494
"710259"	1411.897997	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+H+Na"	23.996494
"1463713"	478.631497	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H+Na"	23.996494
"1058425"	319.423423333333	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2H+Na"	25.00377
"1269947"	966.299986	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+CH3OH+H"	33.033486
"388524"	1905.496158	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+K"	38.963158
"753533"	2838.762658	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+K"	38.963158
"1555428"	972.229658	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+K"	38.963158
"314141"	953.251717	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+H+K"	39.970434
"707074"	1419.884967	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+H+K"	39.970434
"1460951"	486.618467	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H+K"	39.970434
"251364"	1908.566826	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+ACN+H"	42.033826
"1225495"	975.300326	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+ACN+H"	42.033826
"1207846"	488.153801	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+ACN+2H"	43.041102
"196344"	1911.50416	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+2Na-H"	44.97116
"641371"	2844.77066	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+2Na-H"	44.97116
"1143783"	978.23766	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2Na-H"	44.97116
"187075"	956.255718	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+2Na"	45.978436
"628384"	1422.888968	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+2Na"	45.978436
"1129046"	489.622468	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2Na"	45.978436
"1409291"	326.750737333333	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H+2Na"	46.985712
"1438125"	980.279246	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H+HCOOH"	47.012746
"227820"	961.28874	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+3H2O+2H"	56.04448
"1514788"	994.33129	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+IsoProp+H"	61.06479
"416659"	964.242688	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+Na+K"	61.952376
"775467"	1430.875938	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+Na+K"	61.952376
"1678365"	497.609438	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Na+K"	61.952376
"262702"	1930.548768	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+ACN+Na"	64.015768
"1232126"	997.282268	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+ACN+Na"	64.015768
"1717730"	997.305793	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+NH4+HCOOH"	64.039293
"1181262"	334.078051333333	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+3Na"	68.967654
"1651391"	1002.261188	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Na+HCOOH"	68.994688
"159101"	1943.45204	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+2K-H"	76.91904
"597938"	2876.71854	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+2K-H"	76.91904
"1087191"	1010.18554	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2K-H"	76.91904
"149476"	972.229658	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"2M+2K"	77.926316
"586850"	1438.862908	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"3M+2K"	77.926316
"1071362"	505.596408	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2K"	77.926316
"1106758"	1012.200092	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2K+H"	78.933592
"1345331"	1012.287707	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+DMSO+H"	79.021207
"1013861"	1016.326876	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2ACN+H"	83.060376
"1528710"	1017.320508	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+IsoProp+Na+H"	84.054008
"998437"	508.667076	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+2ACN+2H"	84.067652
"1595128"	1018.235128	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+K+HCOOH"	84.968628
"1419692"	1048.266638	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+H+CF3COOH"	115.000138
"1148891"	529.180351	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+3ACN+2H"	125.094202
"1697713"	1065.293185	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+NH4+CF3COOH"	132.026685
"1637377"	1070.24858	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+Na+CF3COOH"	136.98208
"1583964"	1086.22252	"C16295"	"Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C43H49O23"	"933.2665"	"M+K+CF3COOH"	152.95602
"814332"	947.2821	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M"	0
"986771"	928.26371	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-H2O-H"	-19.01839
"73920"	630.514124	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M-3H"	-3.021828
"514575"	946.274824	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M-3H"	-3.021828
"890190"	314.753424	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-3H"	-3.021828
"8765"	946.274824	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M-2H"	-2.014552
"453066"	1419.915874	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M-2H"	-2.014552
"825031"	472.633774	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-2H"	-2.014552
"85022"	1893.556924	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M-H"	-1.007276
"521304"	2840.839024	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M-H"	-1.007276
"901292"	946.274824	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-H"	-1.007276
"51294"	1910.583471	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M-2H+NH4"	16.019271
"495224"	2857.865571	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M-2H+NH4"	16.019271
"869747"	963.301371	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-2H+NH4"	16.019271
"37646"	1915.538866	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M-2H+Na"	20.974666
"473927"	2862.820966	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M-2H+Na"	20.974666
"851728"	968.256766	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-2H+Na"	20.974666
"1626728"	968.256766	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Na-2H"	20.974666
"97791"	964.263163	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M-H+Cl"	33.962126
"535285"	1437.904213	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M-H+Cl"	33.962126
"933058"	490.622113	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-H+Cl"	33.962126
"274167"	1929.533602	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+Cl"	34.969402
"669507"	2876.815702	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+Cl"	34.969402
"1287020"	982.251502	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Cl"	34.969402
"28850"	1931.512806	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M-2H+K"	36.948606
"466221"	2878.794906	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M-2H+K"	36.948606
"840743"	984.230706	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-2H+K"	36.948606
"1566417"	984.230706	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+K-2H"	36.948606
"954300"	992.280294	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-H+HCOOH"	44.998194
"374338"	1939.562401	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+HCOOH-H"	44.998201
"356401"	1953.578051	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+Hac-H"	59.013851
"1504868"	1006.295951	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Hac-H"	59.013851
"964030"	1014.262251	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-H+NaCOOH"	66.980151
"116222"	982.251502	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+2Cl"	69.938804
"559061"	1455.892552	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+2Cl"	69.938804
"1022758"	508.610452	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2Cl"	69.938804
"1244159"	1026.200985	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Br"	78.918885
"1307700"	1028.256972	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Cl+HCOOH"	80.974872
"1323013"	1050.238929	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Cl+NaCOOH"	102.956829
"920633"	1060.267686	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M-H+CF3COOH"	112.985586
"1296249"	1096.244364	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Cl+CF3COOH"	148.962264
"1375505"	912.269424	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H-2H2O"	-35.012676
"1393001"	930.2794	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H-H2O"	-17.0027
"292688"	1895.571476	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+H"	1.007276
"685109"	2842.853576	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+H"	1.007276
"1359271"	948.289376	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H"	1.007276
"129974"	948.289376	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+2H"	2.014552
"577191"	1421.930426	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+2H"	2.014552
"1050727"	474.648326	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2H"	2.014552
"212799"	632.528676	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+3H"	3.021828
"654546"	948.289376	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+3H"	3.021828
"1173764"	316.767976	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+3H"	3.021828
"433756"	1912.598023	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+NH4"	18.033823
"800099"	2859.880123	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+NH4"	18.033823
"1692179"	965.315923	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+NH4"	18.033823
"342642"	956.8026495	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+H+NH4"	19.041099
"730692"	1430.4436995	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+H+NH4"	19.041099
"1482325"	483.1615995	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H+NH4"	19.041099
"394808"	1917.553418	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+Na"	22.989218
"765279"	2864.835518	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+Na"	22.989218
"1607911"	970.271318	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Na"	22.989218
"322320"	959.280347	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+H+Na"	23.996494
"709640"	1432.921397	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+H+Na"	23.996494
"1463095"	485.639297	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H+Na"	23.996494
"1059628"	324.09529	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2H+Na"	25.00377
"1268964"	980.315586	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+CH3OH+H"	33.033486
"388634"	1933.527358	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+K"	38.963158
"752914"	2880.809458	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+K"	38.963158
"1552778"	986.245258	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+K"	38.963158
"313803"	967.267317	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+H+K"	39.970434
"706639"	1440.908367	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+H+K"	39.970434
"1461175"	493.626267	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H+K"	39.970434
"250964"	1936.598026	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+ACN+H"	42.033826
"1225093"	989.315926	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+ACN+H"	42.033826
"1209049"	495.161601	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+ACN+2H"	43.041102
"197548"	1939.53536	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+2Na-H"	44.97116
"642453"	2886.81746	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+2Na-H"	44.97116
"1140613"	992.25326	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2Na-H"	44.97116
"187185"	970.271318	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+2Na"	45.978436
"627473"	1443.912368	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+2Na"	45.978436
"1128063"	496.630268	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2Na"	45.978436
"1408308"	331.422604	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H+2Na"	46.985712
"1436049"	994.294846	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H+HCOOH"	47.012746
"225744"	975.30434	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+3H2O+2H"	56.04448
"1511983"	1008.34689	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+IsoProp+H"	61.06479
"415676"	978.258288	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+Na+K"	61.952376
"772297"	1451.899338	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+Na+K"	61.952376
"1678475"	504.617238	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Na+K"	61.952376
"261717"	1958.579968	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+ACN+Na"	64.015768
"1232236"	1011.297868	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+ACN+Na"	64.015768
"1716747"	1011.321393	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+NH4+HCOOH"	64.039293
"1181008"	338.749918	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+3Na"	68.967654
"1651381"	1016.276788	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Na+HCOOH"	68.994688
"161770"	1971.48324	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+2K-H"	76.91904
"600359"	2918.76534	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+2K-H"	76.91904
"1091676"	1024.20114	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2K-H"	76.91904
"149222"	986.245258	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"2M+2K"	77.926316
"585866"	1459.886308	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"3M+2K"	77.926316
"1074752"	512.604208	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2K"	77.926316
"1109055"	1026.215692	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2K+H"	78.933592
"1346171"	1026.303307	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+DMSO+H"	79.021207
"1012877"	1030.342476	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2ACN+H"	83.060376
"1532100"	1031.336108	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+IsoProp+Na+H"	84.054008
"998548"	515.674876	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+2ACN+2H"	84.067652
"1594145"	1032.250728	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+K+HCOOH"	84.968628
"1419802"	1062.282238	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+H+CF3COOH"	115.000138
"1149366"	536.188151	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+3ACN+2H"	125.094202
"1698551"	1079.308785	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+NH4+CF3COOH"	132.026685
"1637487"	1084.26418	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+Na+CF3COOH"	136.98208
"1584074"	1100.23812	"C16296"	"Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside"	"C44H51O23"	"947.2821"	"M+K+CF3COOH"	152.95602
"814442"	595.1452	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M"	0
"986881"	576.12681	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-H2O-H"	-19.01839
"74030"	395.756190666667	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M-3H"	-3.021828
"514684"	594.137924	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M-3H"	-3.021828
"892486"	197.374457333333	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-3H"	-3.021828
"12884"	594.137924	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M-2H"	-2.014552
"455003"	891.710524	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M-2H"	-2.014552
"826235"	296.565324	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-2H"	-2.014552
"85133"	1189.283124	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M-H"	-1.007276
"526881"	1784.428324	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M-H"	-1.007276
"898122"	594.137924	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-H"	-1.007276
"53591"	1206.309671	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M-2H+NH4"	16.019271
"492054"	1801.454871	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M-2H+NH4"	16.019271
"867669"	611.164471	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-2H+NH4"	16.019271
"34477"	1211.265066	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M-2H+Na"	20.974666
"473064"	1806.410266	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M-2H+Na"	20.974666
"851837"	616.119866	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-2H+Na"	20.974666
"1619913"	616.119866	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Na-2H"	20.974666
"97900"	612.126263	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M-H+Cl"	33.962126
"535635"	909.698863	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M-H+Cl"	33.962126
"935353"	314.553663	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-H+Cl"	33.962126
"278649"	1225.259802	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+Cl"	34.969402
"669978"	1820.405002	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+Cl"	34.969402
"1281655"	630.114602	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Cl"	34.969402
"30297"	1227.239006	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M-2H+K"	36.948606
"463052"	1822.384206	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M-2H+K"	36.948606
"840853"	632.093806	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-2H+K"	36.948606
"1563246"	632.093806	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+K-2H"	36.948606
"954045"	640.143394	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-H+HCOOH"	44.998194
"373355"	1235.288601	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+HCOOH-H"	44.998201
"353231"	1249.304251	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+Hac-H"	59.013851
"1506436"	654.159051	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Hac-H"	59.013851
"964140"	662.125351	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-H+NaCOOH"	66.980151
"113051"	630.114602	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+2Cl"	69.938804
"556984"	927.687202	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+2Cl"	69.938804
"1022868"	332.542002	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2Cl"	69.938804
"1246455"	674.064085	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Br"	78.918885
"1309997"	676.120072	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Cl+HCOOH"	80.974872
"1321661"	698.102029	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Cl+NaCOOH"	102.956829
"919650"	708.130786	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M-H+CF3COOH"	112.985586
"1296359"	744.107464	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Cl+CF3COOH"	148.962264
"1370147"	560.132524	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H-2H2O"	-35.012676
"1396392"	578.1425	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H-H2O"	-17.0027
"293891"	1191.297676	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+H"	1.007276
"685219"	1786.442876	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+H"	1.007276
"1362663"	596.152476	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H"	1.007276
"135551"	596.152476	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+2H"	2.014552
"578392"	893.725076	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+2H"	2.014552
"1050472"	298.579876	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2H"	2.014552
"214001"	397.770742666667	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+3H"	3.021828
"655749"	596.152476	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+3H"	3.021828
"1174967"	199.389009333333	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+3H"	3.021828
"434961"	1208.324223	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+NH4"	18.033823
"794864"	1803.469423	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+NH4"	18.033823
"1690102"	613.179023	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+NH4"	18.033823
"341659"	604.6657495	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+H+NH4"	19.041099
"732986"	902.2383495	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+H+NH4"	19.041099
"1487900"	307.0931495	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H+NH4"	19.041099
"397834"	1213.279618	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+Na"	22.989218
"764296"	1808.424818	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+Na"	22.989218
"1610207"	618.134418	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Na"	22.989218
"318057"	607.143447	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+H+Na"	23.996494
"713759"	904.716047	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+H+Na"	23.996494
"1465756"	309.570847	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H+Na"	23.996494
"1059738"	206.716323333333	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2H+Na"	25.00377
"1266884"	628.178686	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+CH3OH+H"	33.033486
"389473"	1229.253558	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+K"	38.963158
"753268"	1824.398758	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+K"	38.963158
"1553738"	634.108358	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+K"	38.963158
"312618"	615.130417	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+H+K"	39.970434
"706703"	912.703017	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+H+K"	39.970434
"1461011"	317.557817	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H+K"	39.970434
"251155"	1232.324226	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+ACN+H"	42.033826
"1225559"	637.179026	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+ACN+H"	42.033826
"1208677"	319.093151	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+ACN+2H"	43.041102
"199845"	1235.26156	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+2Na-H"	44.97116
"642201"	1830.40676	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+2Na-H"	44.97116
"1143640"	640.11636	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2Na-H"	44.97116
"185474"	618.134418	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+2Na"	45.978436
"627220"	915.707018	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+2Na"	45.978436
"1127446"	320.561818	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2Na"	45.978436
"1404042"	214.043637333333	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H+2Na"	46.985712
"1433606"	642.157946	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H+HCOOH"	47.012746
"223301"	623.16744	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+3H2O+2H"	56.04448
"1510998"	656.20999	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+IsoProp+H"	61.06479
"412505"	626.121388	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+Na+K"	61.952376
"773500"	923.693988	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+Na+K"	61.952376
"1673116"	328.548788	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Na+K"	61.952376
"259636"	1254.306168	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+ACN+Na"	64.015768
"1231617"	659.160968	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+ACN+Na"	64.015768
"1716857"	659.184493	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+NH4+HCOOH"	64.039293
"1181482"	221.370951333333	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+3Na"	68.967654
"1650643"	664.139888	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Na+HCOOH"	68.994688
"160421"	1267.20944	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+2K-H"	76.91904
"599618"	1862.35464	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+2K-H"	76.91904
"1086319"	672.06424	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2K-H"	76.91904
"147509"	634.108358	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"2M+2K"	77.926316
"584883"	931.680958	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"3M+2K"	77.926316
"1074862"	336.535758	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2K"	77.926316
"1108801"	674.078792	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2K+H"	78.933592
"1344457"	674.166407	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+DMSO+H"	79.021207
"1012987"	678.205576	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2ACN+H"	83.060376
"1532941"	679.199208	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+IsoProp+Na+H"	84.054008
"998293"	339.606426	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+2ACN+2H"	84.067652
"1593161"	680.113828	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+K+HCOOH"	84.968628
"1419912"	710.145338	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+H+CF3COOH"	115.000138
"1150205"	360.119701	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+3ACN+2H"	125.094202
"1698661"	727.171885	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+NH4+CF3COOH"	132.026685
"1638690"	732.12728	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+Na+CF3COOH"	136.98208
"1584184"	748.10122	"C16297"	"Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O13"	"595.1452"	"M+K+CF3COOH"	152.95602
"814552"	449.1084	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M"	0
"986991"	430.09001	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-H2O-H"	-19.01839
"76328"	298.398324	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M-3H"	-3.021828
"516983"	448.101124	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M-3H"	-3.021828
"893327"	148.695524	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-3H"	-3.021828
"11173"	448.101124	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M-2H"	-2.014552
"455076"	672.655324	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M-2H"	-2.014552
"827439"	223.546924	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-2H"	-2.014552
"89618"	897.209524	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M-H"	-1.007276
"530272"	1346.317924	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M-H"	-1.007276
"902606"	448.101124	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-H"	-1.007276
"53701"	914.236071	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M-2H+NH4"	16.019271
"492165"	1363.344471	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M-2H+NH4"	16.019271
"866197"	465.127671	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-2H+NH4"	16.019271
"35682"	919.191466	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M-2H+Na"	20.974666
"471956"	1368.299866	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M-2H+Na"	20.974666
"849393"	470.083066	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-2H+Na"	20.974666
"1620509"	470.083066	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Na-2H"	20.974666
"98010"	466.089463	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M-H+Cl"	33.962126
"535624"	690.643663	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M-H+Cl"	33.962126
"933276"	241.535263	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-H+Cl"	33.962126
"278394"	933.186202	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+Cl"	34.969402
"669359"	1382.294602	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+Cl"	34.969402
"1284313"	484.077802	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Cl"	34.969402
"22505"	935.165406	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M-2H+K"	36.948606
"460975"	1384.273806	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M-2H+K"	36.948606
"837683"	486.057006	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-2H+K"	36.948606
"1558982"	486.057006	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+K-2H"	36.948606
"952332"	494.106594	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-H+HCOOH"	44.998194
"367268"	943.215001	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+HCOOH-H"	44.998201
"351153"	957.230651	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+Hac-H"	59.013851
"1503994"	508.122251	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Hac-H"	59.013851
"960970"	516.088551	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-H+NaCOOH"	66.980151
"110974"	484.077802	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+2Cl"	69.938804
"557093"	708.632002	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+2Cl"	69.938804
"1021404"	259.523602	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2Cl"	69.938804
"1246565"	528.027285	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Br"	78.918885
"1305368"	530.083272	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Cl+HCOOH"	80.974872
"1321042"	552.065229	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Cl+NaCOOH"	102.956829
"919760"	562.093986	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M-H+CF3COOH"	112.985586
"1297562"	598.070664	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Cl+CF3COOH"	148.962264
"1371350"	414.095724	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H-2H2O"	-35.012676
"1396381"	432.1057	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H-H2O"	-17.0027
"291814"	899.224076	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+H"	1.007276
"684236"	1348.332476	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+H"	1.007276
"1360586"	450.115676	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H"	1.007276
"134569"	450.115676	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+2H"	2.014552
"576318"	674.669876	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+2H"	2.014552
"1047303"	225.561476	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2H"	2.014552
"209738"	300.412876	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+3H"	3.021828
"652579"	450.115676	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+3H"	3.021828
"1167423"	150.710076	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+3H"	3.021828
"430697"	916.250623	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+NH4"	18.033823
"789504"	1365.359023	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+NH4"	18.033823
"1685836"	467.142223	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+NH4"	18.033823
"333022"	458.6289495	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+H+NH4"	19.041099
"726534"	683.1831495	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+H+NH4"	19.041099
"1480358"	234.0747495	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H+NH4"	19.041099
"394665"	921.206018	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+Na"	22.989218
"760034"	1370.314418	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+Na"	22.989218
"1608133"	472.097618	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Na"	22.989218
"315861"	461.106647	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+H+Na"	23.996494
"711683"	685.660847	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+H+Na"	23.996494
"1462344"	236.552447	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H+Na"	23.996494
"1059848"	158.03739	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2H+Na"	25.00377
"1269549"	482.141886	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+CH3OH+H"	33.033486
"391044"	937.179958	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+K"	38.963158
"753872"	1386.288358	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+K"	38.963158
"1554588"	488.071558	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+K"	38.963158
"313951"	469.093617	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+H+K"	39.970434
"706612"	693.647817	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+H+K"	39.970434
"1461266"	244.539417	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H+K"	39.970434
"251309"	940.250626	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+ACN+H"	42.033826
"1225269"	491.142226	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+ACN+H"	42.033826
"1207813"	246.074751	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+ACN+2H"	43.041102
"202508"	943.18796	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+2Na-H"	44.97116
"642798"	1392.29636	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+2Na-H"	44.97116
"1144115"	494.07956	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2Na-H"	44.97116
"185582"	472.097618	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+2Na"	45.978436
"624778"	696.651818	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+2Na"	45.978436
"1126463"	247.543418	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2Na"	45.978436
"1406340"	165.364704	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H+2Na"	46.985712
"1438456"	496.121146	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H+HCOOH"	47.012746
"225963"	477.13064	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+3H2O+2H"	56.04448
"1511838"	510.17319	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+IsoProp+H"	61.06479
"414802"	480.084588	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+Na+K"	61.952376
"777988"	704.638788	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+Na+K"	61.952376
"1674319"	255.530388	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Na+K"	61.952376
"260842"	962.232568	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+ACN+Na"	64.015768
"1233551"	513.124168	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+ACN+Na"	64.015768
"1720980"	513.147693	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+NH4+HCOOH"	64.039293
"1183781"	172.692018	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+3Na"	68.967654
"1652944"	518.103088	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Na+HCOOH"	68.994688
"160534"	975.13584	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+2K-H"	76.91904
"604834"	1424.24424	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+2K-H"	76.91904
"1092627"	526.02744	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2K-H"	76.91904
"147620"	488.071558	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"2M+2K"	77.926316
"589004"	712.625758	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"3M+2K"	77.926316
"1074973"	263.517358	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2K"	77.926316
"1111100"	528.041992	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2K+H"	78.933592
"1349433"	528.129607	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+DMSO+H"	79.021207
"1018568"	532.168776	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2ACN+H"	83.060376
"1534144"	533.162408	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+IsoProp+Na+H"	84.054008
"992329"	266.588026	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+2ACN+2H"	84.067652
"1593272"	534.077028	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+K+HCOOH"	84.968628
"1426585"	564.108538	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+H+CF3COOH"	115.000138
"1151408"	287.101301	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+3ACN+2H"	125.094202
"1699865"	581.135085	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+NH4+CF3COOH"	132.026685
"1635517"	586.09048	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+Na+CF3COOH"	136.98208
"1572627"	602.06442	"C16298"	"Cyanidin 5-O-glucoside"	"C21H21O11"	"449.1084"	"M+K+CF3COOH"	152.95602
"813570"	843.1984	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M"	0
"981635"	824.18001	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-H2O-H"	-19.01839
"76439"	561.124990666667	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M-3H"	-3.021828
"510532"	842.191124	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M-3H"	-3.021828
"894530"	280.058857333333	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-3H"	-3.021828
"12375"	842.191124	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M-2H"	-2.014552
"450842"	1263.790324	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M-2H"	-2.014552
"822081"	420.591924	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-2H"	-2.014552
"85353"	1685.389524	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M-H"	-1.007276
"528194"	2528.587924	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M-H"	-1.007276
"903808"	842.191124	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-H"	-1.007276
"58183"	1702.416071	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M-2H+NH4"	16.019271
"490089"	2545.614471	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M-2H+NH4"	16.019271
"868985"	859.217671	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-2H+NH4"	16.019271
"33604"	1707.371466	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M-2H+Na"	20.974666
"475349"	2550.569866	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M-2H+Na"	20.974666
"852058"	864.173066	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-2H+Na"	20.974666
"1620011"	864.173066	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Na-2H"	20.974666
"96053"	860.179463	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M-H+Cl"	33.962126
"539873"	1281.778663	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M-H+Cl"	33.962126
"934480"	438.580263	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-H+Cl"	33.962126
"276322"	1721.366202	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+Cl"	34.969402
"672026"	2564.564602	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+Cl"	34.969402
"1276774"	878.167802	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Cl"	34.969402
"22612"	1723.345406	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M-2H+K"	36.948606
"462178"	2566.543806	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M-2H+K"	36.948606
"838886"	880.147006	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-2H+K"	36.948606
"1557270"	880.147006	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+K-2H"	36.948606
"949162"	888.196594	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-H+HCOOH"	44.998194
"369565"	1731.395001	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+HCOOH-H"	44.998201
"352357"	1745.410651	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+Hac-H"	59.013851
"1501188"	902.212251	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Hac-H"	59.013851
"961079"	910.178551	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-H+NaCOOH"	66.980151
"113265"	878.167802	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+2Cl"	69.938804
"553923"	1299.767002	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+2Cl"	69.938804
"1022115"	456.568602	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2Cl"	69.938804
"1244488"	922.117285	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Br"	78.918885
"1305840"	924.173272	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Cl+HCOOH"	80.974872
"1320544"	946.155229	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Cl+NaCOOH"	102.956829
"915128"	956.183986	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M-H+CF3COOH"	112.985586
"1299859"	992.160664	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Cl+CF3COOH"	148.962264
"1375832"	808.185724	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H-2H2O"	-35.012676
"1386768"	826.1957	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H-H2O"	-17.0027
"291924"	1687.404076	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+H"	1.007276
"683253"	2530.602476	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+H"	1.007276
"1358509"	844.205676	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H"	1.007276
"133586"	844.205676	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+2H"	2.014552
"573147"	1265.804876	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+2H"	2.014552
"1045229"	422.606476	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2H"	2.014552
"212036"	563.139542666667	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+3H"	3.021828
"649409"	844.205676	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+3H"	3.021828
"1166802"	282.073409333333	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+3H"	3.021828
"431901"	1704.430623	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+NH4"	18.033823
"790708"	2547.629023	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+NH4"	18.033823
"1685946"	861.232223	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+NH4"	18.033823
"334224"	852.7189495	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+H+NH4"	19.041099
"728102"	1274.3181495	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+H+NH4"	19.041099
"1483747"	431.1197495	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H+NH4"	19.041099
"398054"	1709.386018	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+Na"	22.989218
"756864"	2552.584418	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+Na"	22.989218
"1604963"	866.187618	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Na"	22.989218
"318280"	855.196647	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+H+Na"	23.996494
"710700"	1276.795847	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+H+Na"	23.996494
"1465613"	433.597447	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H+Na"	23.996494
"1059958"	289.400723333333	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2H+Na"	25.00377
"1271116"	876.231886	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+CH3OH+H"	33.033486
"392739"	1725.359958	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+K"	38.963158
"754078"	2568.558358	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+K"	38.963158
"1555141"	882.161558	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+K"	38.963158
"313697"	863.183617	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+H+K"	39.970434
"705624"	1284.782817	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+H+K"	39.970434
"1460878"	441.584417	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H+K"	39.970434
"250856"	1728.430626	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+ACN+H"	42.033826
"1225177"	885.232226	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+ACN+H"	42.033826
"1209738"	443.119751	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+ACN+2H"	43.041102
"199700"	1731.36796	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+2Na-H"	44.97116
"640353"	2574.56636	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+2Na-H"	44.97116
"1143130"	888.16956	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2Na-H"	44.97116
"183139"	866.187618	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+2Na"	45.978436
"624886"	1287.786818	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+2Na"	45.978436
"1126206"	444.588418	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2Na"	45.978436
"1405356"	296.728037333333	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H+2Na"	46.985712
"1438566"	890.211146	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H+HCOOH"	47.012746
"227166"	871.22064	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+3H2O+2H"	56.04448
"1514134"	904.26319	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+IsoProp+H"	61.06479
"413819"	874.174588	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+Na+K"	61.952376
"775911"	1295.773788	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+Na+K"	61.952376
"1677351"	452.575388	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Na+K"	61.952376
"263869"	1750.412568	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+ACN+Na"	64.015768
"1236943"	907.214168	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+ACN+Na"	64.015768
"1722184"	907.237693	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+NH4+HCOOH"	64.039293
"1181701"	304.055351333333	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+3Na"	68.967654
"1653049"	912.193088	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Na+HCOOH"	68.994688
"159910"	1763.31584	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+2K-H"	76.91904
"599228"	2606.51424	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+2K-H"	76.91904
"1085810"	920.11744	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2K-H"	76.91904
"143478"	882.161558	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"2M+2K"	77.926316
"591301"	1303.760758	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"3M+2K"	77.926316
"1070709"	460.562358	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2K"	77.926316
"1108292"	922.131992	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2K+H"	78.933592
"1342491"	922.219607	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+DMSO+H"	79.021207
"1019404"	926.258776	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2ACN+H"	83.060376
"1534618"	927.252408	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+IsoProp+Na+H"	84.054008
"992318"	463.633026	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+2ACN+2H"	84.067652
"1590466"	928.167028	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+K+HCOOH"	84.968628
"1423415"	958.198538	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+H+CF3COOH"	115.000138
"1149696"	484.146301	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+3ACN+2H"	125.094202
"1702161"	975.225085	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+NH4+CF3COOH"	132.026685
"1637817"	980.18048	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+Na+CF3COOH"	136.98208
"1584404"	996.15442	"C16299"	"Malonylshisonin"	"C39H39O21"	"843.1984"	"M+K+CF3COOH"	152.95602
"816114"	276.2089	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M"	0
"981745"	257.19051	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-H2O-H"	-19.01839
"74362"	183.131990666667	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M-3H"	-3.021828
"510642"	275.201624	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M-3H"	-3.021828
"894520"	91.0623573333333	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-3H"	-3.021828
"10299"	275.201624	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M-2H"	-2.014552
"453139"	413.306074	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M-2H"	-2.014552
"822191"	137.097174	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-2H"	-2.014552
"87650"	551.410524	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M-H"	-1.007276
"530491"	827.619424	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M-H"	-1.007276
"906105"	275.201624	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-H"	-1.007276
"59387"	568.437071	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M-2H+NH4"	16.019271
"491292"	844.645971	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M-2H+NH4"	16.019271
"868002"	292.228171	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-2H+NH4"	16.019271
"35903"	573.392466	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M-2H+Na"	20.974666
"471933"	849.601366	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M-2H+Na"	20.974666
"851075"	297.183566	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-2H+Na"	20.974666
"1618625"	297.183566	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Na-2H"	20.974666
"98230"	293.189963	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M-H+Cl"	33.962126
"539982"	431.294413	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M-H+Cl"	33.962126
"931311"	155.085513	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-H+Cl"	33.962126
"274246"	587.387202	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+Cl"	34.969402
"666668"	863.596102	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+Cl"	34.969402
"1282351"	311.178302	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Cl"	34.969402
"19807"	589.366406	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M-2H+K"	36.948606
"460102"	865.575306	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M-2H+K"	36.948606
"836809"	313.157506	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-2H+K"	36.948606
"1559203"	313.157506	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+K-2H"	36.948606
"951460"	321.207094	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-H+HCOOH"	44.998194
"366395"	597.416001	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+HCOOH-H"	44.998201
"352467"	611.431651	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+Hac-H"	59.013851
"1505672"	335.222751	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Hac-H"	59.013851
"961189"	343.189051	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-H+NaCOOH"	66.980151
"123217"	311.178302	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+2Cl"	69.938804
"554033"	449.282752	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+2Cl"	69.938804
"1026111"	173.073852	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2Cl"	69.938804
"1244598"	355.127785	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Br"	78.918885
"1306315"	357.183772	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Cl+HCOOH"	80.974872
"1320898"	379.165729	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Cl+NaCOOH"	102.956829
"917790"	389.194486	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M-H+CF3COOH"	112.985586
"1302155"	425.171164	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Cl+CF3COOH"	148.962264
"1377036"	241.196224	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H-2H2O"	-35.012676
"1387972"	259.2062	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H-H2O"	-17.0027
"292035"	553.425076	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+H"	1.007276
"683364"	829.633976	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+H"	1.007276
"1358619"	277.216176	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H"	1.007276
"135883"	277.216176	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+2H"	2.014552
"575443"	415.320626	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+2H"	2.014552
"1045338"	139.111726	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2H"	2.014552
"209959"	185.146542666667	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+3H"	3.021828
"649518"	277.216176	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+3H"	3.021828
"1166182"	93.0769093333333	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+3H"	3.021828
"432009"	570.451623	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+NH4"	18.033823
"789728"	846.660523	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+NH4"	18.033823
"1685327"	294.242723	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+NH4"	18.033823
"334334"	285.7294495	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+H+NH4"	19.041099
"728945"	423.8338995	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+H+NH4"	19.041099
"1483857"	147.6249995	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H+NH4"	19.041099
"394887"	575.407018	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+Na"	22.989218
"758068"	851.615918	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+Na"	22.989218
"1606166"	299.198118	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Na"	22.989218
"317296"	288.207147	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+H+Na"	23.996494
"711904"	426.311597	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+H+Na"	23.996494
"1464630"	150.102697	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H+Na"	23.996494
"1055688"	100.404223333333	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2H+Na"	25.00377
"1272742"	309.242386	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+CH3OH+H"	33.033486
"391633"	591.380958	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+K"	38.963158
"753642"	867.589858	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+K"	38.963158
"1555260"	315.172058	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+K"	38.963158
"314219"	296.194117	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+H+K"	39.970434
"706681"	434.298567	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+H+K"	39.970434
"1461139"	158.089667	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H+K"	39.970434
"251289"	594.451626	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+ACN+H"	42.033826
"1225368"	318.242726	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+ACN+H"	42.033826
"1208760"	159.625001	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+ACN+2H"	43.041102
"200174"	597.38896	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+2Na-H"	44.97116
"641556"	873.59786	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+2Na-H"	44.97116
"1145063"	321.18006	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2Na-H"	44.97116
"186167"	299.198118	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+2Na"	45.978436
"624995"	437.302568	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+2Na"	45.978436
"1125219"	161.093668	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2Na"	45.978436
"1406559"	107.731537333333	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H+2Na"	46.985712
"1438676"	323.221646	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H+HCOOH"	47.012746
"226183"	304.23114	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+3H2O+2H"	56.04448
"1515338"	337.27369	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+IsoProp+H"	61.06479
"413929"	307.185088	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+Na+K"	61.952376
"781489"	445.289538	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+Na+K"	61.952376
"1677459"	169.080638	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Na+K"	61.952376
"261792"	616.433568	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+ACN+Na"	64.015768
"1235593"	340.224668	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+ACN+Na"	64.015768
"1720470"	340.248193	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+NH4+HCOOH"	64.039293
"1180356"	115.058851333333	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+3Na"	68.967654
"1653523"	345.203588	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Na+HCOOH"	68.994688
"159293"	629.33684	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+2K-H"	76.91904
"597762"	905.54574	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+2K-H"	76.91904
"1086282"	353.12794	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2K-H"	76.91904
"142127"	315.172058	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"2M+2K"	77.926316
"589588"	453.276508	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"3M+2K"	77.926316
"1070819"	177.067608	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2K"	77.926316
"1106215"	355.142492	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2K+H"	78.933592
"1340415"	355.230107	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+DMSO+H"	79.021207
"1013318"	359.269276	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2ACN+H"	83.060376
"1534728"	360.262908	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+IsoProp+Na+H"	84.054008
"992427"	180.138276	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+2ACN+2H"	84.067652
"1590212"	361.177528	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+K+HCOOH"	84.968628
"1421338"	391.209038	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+H+CF3COOH"	115.000138
"1149443"	200.651551	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+3ACN+2H"	125.094202
"1697901"	408.235585	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+NH4+CF3COOH"	132.026685
"1637927"	413.19098	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+Na+CF3COOH"	136.98208
"1584514"	429.16492	"C16300"	"Stearidonic acid;691215-Octadecatetraenoic acid;(6Z9Z12Z15Z)-Octadecatetraenoic acid"	"C18H28O2"	"276.2089"	"M+K+CF3COOH"	152.95602
"815977"	551.1037	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M"	0
"981855"	532.08531	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-H2O-H"	-19.01839
"71192"	366.395190666667	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M-3H"	-3.021828
"511845"	550.096424	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M-3H"	-3.021828
"894020"	182.693957333333	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-3H"	-3.021828
"7128"	550.096424	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M-2H"	-2.014552
"446689"	825.648274	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M-2H"	-2.014552
"822301"	274.544574	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-2H"	-2.014552
"84479"	1101.200124	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M-H"	-1.007276
"526227"	1652.303824	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M-H"	-1.007276
"906215"	550.096424	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-H"	-1.007276
"57310"	1118.226671	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M-2H+NH4"	16.019271
"488486"	1669.330371	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M-2H+NH4"	16.019271
"868112"	567.122971	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-2H+NH4"	16.019271
"31880"	1123.182066	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M-2H+Na"	20.974666
"471475"	1674.285766	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M-2H+Na"	20.974666
"851185"	572.078366	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-2H+Na"	20.974666
"1618613"	572.078366	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Na-2H"	20.974666
"97247"	568.084763	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M-H+Cl"	33.962126
"538269"	843.636613	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M-H+Cl"	33.962126
"931421"	292.532913	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-H+Cl"	33.962126
"273261"	1137.176802	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+Cl"	34.969402
"668964"	1688.280502	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+Cl"	34.969402
"1278085"	586.073102	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Cl"	34.969402
"21735"	1139.156006	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M-2H+K"	36.948606
"456925"	1690.259706	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M-2H+K"	36.948606
"834728"	588.052306	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-2H+K"	36.948606
"1561500"	588.052306	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+K-2H"	36.948606
"943671"	596.101894	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-H+HCOOH"	44.998194
"365410"	1147.205601	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+HCOOH-H"	44.998201
"350391"	1161.221251	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+Hac-H"	59.013851
"1501408"	610.117551	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Hac-H"	59.013851
"961299"	618.083851	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-H+NaCOOH"	66.980151
"122234"	586.073102	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+2Cl"	69.938804
"554143"	861.624952	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+2Cl"	69.938804
"1026221"	310.521252	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2Cl"	69.938804
"1244708"	630.022585	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Br"	78.918885
"1307154"	632.078572	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Cl+HCOOH"	80.974872
"1321737"	654.060529	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Cl+NaCOOH"	102.956829
"915713"	664.089286	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M-H+CF3COOH"	112.985586
"1301171"	700.065964	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Cl+CF3COOH"	148.962264
"1378239"	516.091024	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H-2H2O"	-35.012676
"1389175"	534.101	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H-H2O"	-17.0027
"294331"	1103.214676	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+H"	1.007276
"688575"	1654.318376	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+H"	1.007276
"1362009"	552.110976	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H"	1.007276
"137086"	552.110976	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+2H"	2.014552
"575554"	827.662826	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+2H"	2.014552
"1046542"	276.559126	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2H"	2.014552
"211162"	368.409742666667	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+3H"	3.021828
"651815"	552.110976	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+3H"	3.021828
"1165199"	184.708509333333	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+3H"	3.021828
"432119"	1120.241223	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+NH4"	18.033823
"789106"	1671.344923	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+NH4"	18.033823
"1688353"	569.137523	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+NH4"	18.033823
"337724"	560.6242495	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+H+NH4"	19.041099
"731241"	836.1760995	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+H+NH4"	19.041099
"1481781"	285.0723995	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H+NH4"	19.041099
"396089"	1125.196618	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+Na"	22.989218
"757085"	1676.300318	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+Na"	22.989218
"1606277"	574.092918	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Na"	22.989218
"315339"	563.101947	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+H+Na"	23.996494
"707091"	838.653797	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+H+Na"	23.996494
"1464740"	287.550097	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H+Na"	23.996494
"1054705"	192.035823333333	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2H+Na"	25.00377
"1272710"	584.137186	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+CH3OH+H"	33.033486
"392108"	1141.170558	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+K"	38.963158
"754075"	1692.274258	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+K"	38.963158
"1555565"	590.066858	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+K"	38.963158
"314160"	571.088917	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+H+K"	39.970434
"707003"	846.640767	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+H+K"	39.970434
"1461133"	295.537067	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H+K"	39.970434
"251311"	1144.241226	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+ACN+H"	42.033826
"1224747"	593.137526	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+ACN+H"	42.033826
"1207413"	297.072401	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+ACN+2H"	43.041102
"201013"	1147.17856	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+2Na-H"	44.97116
"639479"	1698.28226	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+2Na-H"	44.97116
"1143716"	596.07486	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2Na-H"	44.97116
"185184"	574.092918	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+2Na"	45.978436
"619639"	849.644768	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+2Na"	45.978436
"1123143"	298.541068	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2Na"	45.978436
"1403389"	199.363137333333	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H+2Na"	46.985712
"1436600"	598.116446	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H+HCOOH"	47.012746
"225200"	579.12594	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+3H2O+2H"	56.04448
"1513262"	612.16849	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+IsoProp+H"	61.06479
"411485"	582.079888	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+Na+K"	61.952376
"776131"	857.631738	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+Na+K"	61.952376
"1673559"	306.528038	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Na+K"	61.952376
"260078"	1166.223168	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+ACN+Na"	64.015768
"1231693"	615.119468	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+ACN+Na"	64.015768
"1715839"	615.142993	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+NH4+HCOOH"	64.039293
"1179123"	206.690451333333	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+3Na"	68.967654
"1651082"	620.098388	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Na+HCOOH"	68.994688
"158307"	1179.12644	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+2K-H"	76.91904
"597383"	1730.23014	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+2K-H"	76.91904
"1084931"	628.02274	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2K-H"	76.91904
"141753"	590.066858	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"2M+2K"	77.926316
"585324"	865.618708	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"3M+2K"	77.926316
"1072023"	314.515008	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2K"	77.926316
"1101952"	630.037292	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2K+H"	78.933592
"1337244"	630.124907	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+DMSO+H"	79.021207
"1013428"	634.164076	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2ACN+H"	83.060376
"1535931"	635.157708	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+IsoProp+Na+H"	84.054008
"992537"	317.585676	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+2ACN+2H"	84.067652
"1595788"	636.072328	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+K+HCOOH"	84.968628
"1423635"	666.103838	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+H+CF3COOH"	115.000138
"1150646"	338.098951	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+3ACN+2H"	125.094202
"1698132"	683.130385	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+NH4+CF3COOH"	132.026685
"1640224"	688.08578	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+Na+CF3COOH"	136.98208
"1584624"	704.05972	"C16301"	"Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside"	"C24H23O15"	"551.1037"	"M+K+CF3COOH"	152.95602
"816332"	2107.5678	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M"	0
"988526"	2088.54941	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-H2O-H"	-19.01839
"74582"	1404.037924	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M-3H"	-3.021828
"517422"	2106.560524	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M-3H"	-3.021828
"894131"	701.515324	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-3H"	-3.021828
"11612"	2106.560524	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M-2H"	-2.014552
"447892"	3160.344424	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M-2H"	-2.014552
"822411"	1052.776624	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-2H"	-2.014552
"84589"	4214.128324	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M-H"	-1.007276
"528524"	6321.696124	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M-H"	-1.007276
"908148"	2106.560524	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-H"	-1.007276
"59972"	4231.154871	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M-2H+NH4"	16.019271
"490419"	6338.722671	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M-2H+NH4"	16.019271
"871502"	2123.587071	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-2H+NH4"	16.019271
"33936"	4236.110266	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M-2H+Na"	20.974666
"472641"	6343.678066	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M-2H+Na"	20.974666
"851295"	2128.542466	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-2H+Na"	20.974666
"1620102"	2128.542466	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Na-2H"	20.974666
"98450"	2124.548863	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M-H+Cl"	33.962126
"537651"	3178.332763	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M-H+Cl"	33.962126
"930439"	1070.764963	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-H+Cl"	33.962126
"273372"	4250.105002	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+Cl"	34.969402
"666887"	6357.672802	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+Cl"	34.969402
"1278194"	2142.537202	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Cl"	34.969402
"20752"	4252.084206	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M-2H+K"	36.948606
"460314"	6359.652006	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M-2H+K"	36.948606
"837024"	2144.516406	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-2H+K"	36.948606
"1556868"	2144.516406	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+K-2H"	36.948606
"944387"	2152.565994	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-H+HCOOH"	44.998194
"363696"	4260.133801	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+HCOOH-H"	44.998201
"346247"	4274.149451	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+Hac-H"	59.013851
"1494959"	2166.581651	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Hac-H"	59.013851
"959090"	2174.547951	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-H+NaCOOH"	66.980151
"117971"	2142.537202	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+2Cl"	69.938804
"554252"	3196.321102	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+2Cl"	69.938804
"1028519"	1088.753302	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2Cl"	69.938804
"1247005"	2186.486685	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Br"	78.918885
"1307265"	2188.542672	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Cl+HCOOH"	80.974872
"1321482"	2210.524629	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Cl+NaCOOH"	102.956829
"921290"	2220.553386	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M-H+CF3COOH"	112.985586
"1302983"	2256.530064	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Cl+CF3COOH"	148.962264
"1375069"	2072.555124	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H-2H2O"	-35.012676
"1391473"	2090.5651	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H-H2O"	-17.0027
"296264"	4216.142876	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+H"	1.007276
"687956"	6323.710676	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+H"	1.007276
"1362119"	2108.575076	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H"	1.007276
"138656"	2108.575076	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+2H"	2.014552
"576760"	3162.358976	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+2H"	2.014552
"1048839"	1054.791176	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2H"	2.014552
"214552"	1406.052476	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+3H"	3.021828
"654112"	2108.575076	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+3H"	3.021828
"1168957"	703.529876	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+3H"	3.021828
"436604"	4233.169423	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+NH4"	18.033823
"796507"	6340.737223	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+NH4"	18.033823
"1686280"	2125.601623	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+NH4"	18.033823
"340022"	2117.0883495	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+H+NH4"	19.041099
"730259"	3170.8722495	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+H+NH4"	19.041099
"1482986"	1063.3044495	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H+NH4"	19.041099
"401668"	4238.124818	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+Na"	22.989218
"755008"	6345.692618	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+Na"	22.989218
"1606387"	2130.557018	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Na"	22.989218
"319702"	2119.566047	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+H+Na"	23.996494
"717593"	3173.349947	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+H+Na"	23.996494
"1469225"	1065.782147	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H+Na"	23.996494
"1058096"	710.85719	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2H+Na"	25.00377
"1271084"	2140.601286	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+CH3OH+H"	33.033486
"388201"	4254.098758	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+K"	38.963158
"753213"	6361.666558	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+K"	38.963158
"1554537"	2146.530958	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+K"	38.963158
"313536"	2127.553017	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+H+K"	39.970434
"706443"	3181.336917	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+H+K"	39.970434
"1458317"	1073.769117	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H+K"	39.970434
"251061"	4257.169426	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+ACN+H"	42.033826
"1224735"	2149.601626	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+ACN+H"	42.033826
"1208253"	1075.304451	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+ACN+2H"	43.041102
"201125"	4260.10676	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+2Na-H"	44.97116
"643238"	6367.67456	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+2Na-H"	44.97116
"1139088"	2152.53896	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2Na-H"	44.97116
"187367"	2130.557018	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+2Na"	45.978436
"621935"	3184.340918	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+2Na"	45.978436
"1125443"	1076.773118	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2Na"	45.978436
"1404593"	718.184504	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H+2Na"	46.985712
"1435616"	2154.580546	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H+HCOOH"	47.012746
"225310"	2135.59004	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+3H2O+2H"	56.04448
"1513372"	2168.63259	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+IsoProp+H"	61.06479
"411963"	2138.543988	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+Na+K"	61.952376
"778429"	3192.327888	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+Na+K"	61.952376
"1677317"	1084.760088	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Na+K"	61.952376
"260190"	4279.151368	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+ACN+Na"	64.015768
"1231803"	2171.583568	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+ACN+Na"	64.015768
"1714857"	2171.607093	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+NH4+HCOOH"	64.039293
"1179114"	725.511818	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+3Na"	68.967654
"1650464"	2176.562488	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Na+HCOOH"	68.994688
"159878"	4292.05464	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+2K-H"	76.91904
"597532"	6399.62244	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+2K-H"	76.91904
"1084923"	2184.48684	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2K-H"	76.91904
"144780"	2146.530958	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"2M+2K"	77.926316
"586527"	3200.314858	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"3M+2K"	77.926316
"1078329"	1092.747058	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2K"	77.926316
"1104250"	2186.501392	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2K+H"	78.933592
"1346101"	2186.589007	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+DMSO+H"	79.021207
"1020952"	2190.628176	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2ACN+H"	83.060376
"1528386"	2191.621808	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+IsoProp+Na+H"	84.054008
"995928"	1095.817726	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+2ACN+2H"	84.067652
"1590430"	2192.536428	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+K+HCOOH"	84.968628
"1419370"	2222.567938	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+H+CF3COOH"	115.000138
"1151851"	1116.331001	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+3ACN+2H"	125.094202
"1698122"	2239.594485	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+NH4+CF3COOH"	132.026685
"1637054"	2244.54988	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+Na+CF3COOH"	136.98208
"1584734"	2260.52382	"C16302"	"Ternatin A1"	"C96H107O53"	"2107.5678"	"M+K+CF3COOH"	152.95602
"815469"	875.2093	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M"	0
"985356"	856.19091	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-H2O-H"	-19.01839
"71413"	582.465590666667	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M-3H"	-3.021828
"517532"	874.202024	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M-3H"	-3.021828
"892053"	290.729157333333	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-3H"	-3.021828
"10627"	874.202024	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M-2H"	-2.014552
"453954"	1311.806674	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M-2H"	-2.014552
"827989"	436.597374	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-2H"	-2.014552
"90168"	1749.411324	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M-H"	-1.007276
"525356"	2624.620624	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M-H"	-1.007276
"906436"	874.202024	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-H"	-1.007276
"57166"	1766.437871	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M-2H+NH4"	16.019271
"490530"	2641.647171	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M-2H+NH4"	16.019271
"871248"	891.228571	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-2H+NH4"	16.019271
"36234"	1771.393266	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M-2H+Na"	20.974666
"473362"	2646.602566	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M-2H+Na"	20.974666
"850434"	896.183966	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-2H+Na"	20.974666
"1619360"	896.183966	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Na-2H"	20.974666
"96374"	892.190363	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M-H+Cl"	33.962126
"535326"	1329.795013	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M-H+Cl"	33.962126
"930545"	454.585713	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-H+Cl"	33.962126
"274575"	1785.388002	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+Cl"	34.969402
"665904"	2660.597302	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+Cl"	34.969402
"1274782"	910.178702	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Cl"	34.969402
"18674"	1787.367206	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M-2H+K"	36.948606
"458243"	2662.576506	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M-2H+K"	36.948606
"833246"	912.157906	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-2H+K"	36.948606
"1559534"	912.157906	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+K-2H"	36.948606
"946323"	920.207494	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-H+HCOOH"	44.998194
"361511"	1795.416801	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+HCOOH-H"	44.998201
"345947"	1809.432451	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+Hac-H"	59.013851
"1493609"	934.223151	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Hac-H"	59.013851
"958755"	942.189451	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-H+NaCOOH"	66.980151
"118081"	910.178702	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+2Cl"	69.938804
"559830"	1347.783352	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+2Cl"	69.938804
"1028630"	472.574052	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2Cl"	69.938804
"1247114"	954.128185	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Br"	78.918885
"1307376"	956.184172	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Cl+HCOOH"	80.974872
"1323050"	978.166129	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Cl+NaCOOH"	102.956829
"919214"	988.194886	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M-H+CF3COOH"	112.985586
"1300297"	1024.171564	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Cl+CF3COOH"	148.962264
"1375180"	840.196624	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H-2H2O"	-35.012676
"1395958"	858.2066	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H-H2O"	-17.0027
"295644"	1751.425876	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+H"	1.007276
"686973"	2626.635176	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+H"	1.007276
"1362230"	876.216576	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H"	1.007276
"137307"	876.216576	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+2H"	2.014552
"573589"	1313.821226	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+2H"	2.014552
"1044576"	438.611926	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2H"	2.014552
"216850"	584.480142666667	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+3H"	3.021828
"654222"	876.216576	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+3H"	3.021828
"1171254"	292.743709333333	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+3H"	3.021828
"434530"	1768.452423	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+NH4"	18.033823
"797711"	2643.661723	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+NH4"	18.033823
"1689668"	893.243123	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+NH4"	18.033823
"337947"	884.7298495	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+H+NH4"	19.041099
"731461"	1322.3344995	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+H+NH4"	19.041099
"1487469"	447.1251995	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H+NH4"	19.041099
"396310"	1773.407818	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+Na"	22.989218
"762772"	2648.617118	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+Na"	22.989218
"1608683"	898.198518	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Na"	22.989218
"323092"	887.207547	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+H+Na"	23.996494
"718795"	1324.812197	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+H+Na"	23.996494
"1467147"	449.602897	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H+Na"	23.996494
"1056017"	300.071023333333	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2H+Na"	25.00377
"1260246"	908.242786	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+CH3OH+H"	33.033486
"381738"	1789.381758	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+K"	38.963158
"753322"	2664.591058	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+K"	38.963158
"1552823"	914.172458	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+K"	38.963158
"313527"	895.194517	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+H+K"	39.970434
"706192"	1332.799167	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+H+K"	39.970434
"1458062"	457.589867	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H+K"	39.970434
"249948"	1792.452426	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+ACN+H"	42.033826
"1219376"	917.243126	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+ACN+H"	42.033826
"1209456"	459.125201	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+ACN+2H"	43.041102
"200505"	1795.38976	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+2Na-H"	44.97116
"642252"	2670.59906	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+2Na-H"	44.97116
"1140291"	920.18046	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2Na-H"	44.97116
"184674"	898.198518	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+2Na"	45.978436
"619858"	1335.803168	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+2Na"	45.978436
"1124457"	460.593868	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2Na"	45.978436
"1404702"	307.398337333333	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H+2Na"	46.985712
"1434632"	922.222046	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H+HCOOH"	47.012746
"223232"	903.23154	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+3H2O+2H"	56.04448
"1513480"	936.27409	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+IsoProp+H"	61.06479
"413892"	906.185488	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+Na+K"	61.952376
"774160"	1343.790138	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+Na+K"	61.952376
"1673781"	468.580838	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Na+K"	61.952376
"260300"	1814.434368	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+ACN+Na"	64.015768
"1234832"	939.225068	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+ACN+Na"	64.015768
"1722625"	939.248593	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+NH4+HCOOH"	64.039293
"1181780"	314.725651333333	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+3Na"	68.967654
"1652767"	944.203988	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Na+HCOOH"	68.994688
"158167"	1827.33764	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+2K-H"	76.91904
"599188"	2702.54694	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+2K-H"	76.91904
"1084915"	952.12834	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2K-H"	76.91904
"142704"	914.172458	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"2M+2K"	77.926316
"587731"	1351.777108	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"3M+2K"	77.926316
"1077710"	476.567808	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2K"	77.926316
"1106547"	954.142892	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2K+H"	78.933592
"1341838"	954.230507	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+DMSO+H"	79.021207
"1016929"	958.269676	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2ACN+H"	83.060376
"1528496"	959.263308	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+IsoProp+Na+H"	84.054008
"994945"	479.638476	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+2ACN+2H"	84.067652
"1588354"	960.177928	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+K+HCOOH"	84.968628
"1417293"	990.209438	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+H+CF3COOH"	115.000138
"1157429"	500.151751	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+3ACN+2H"	125.094202
"1698232"	1007.235985	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+NH4+CF3COOH"	132.026685
"1637164"	1012.19138	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+Na+CF3COOH"	136.98208
"1584844"	1028.16532	"C16303"	"Ternatin C5;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-35-di-O-beta-D-glucoside"	"C36H43O25"	"875.2093"	"M+K+CF3COOH"	152.95602
"814119"	713.1565	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M"	0
"987651"	694.13811	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-H2O-H"	-19.01839
"77676"	474.430390666667	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M-3H"	-3.021828
"511082"	712.149224	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M-3H"	-3.021828
"893255"	236.711557333333	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-3H"	-3.021828
"7457"	712.149224	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M-2H"	-2.014552
"444829"	1068.727474	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M-2H"	-2.014552
"825912"	355.570974	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-2H"	-2.014552
"85904"	1425.305724	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M-H"	-1.007276
"523279"	2138.462224	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M-H"	-1.007276
"909827"	712.149224	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-H"	-1.007276
"55452"	1442.332271	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M-2H+NH4"	16.019271
"490640"	2155.488771	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M-2H+NH4"	16.019271
"871722"	729.175771	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-2H+NH4"	16.019271
"35372"	1447.287666	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M-2H+Na"	20.974666
"476997"	2160.444166	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M-2H+Na"	20.974666
"852611"	734.131166	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-2H+Na"	20.974666
"1619714"	734.131166	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Na-2H"	20.974666
"97579"	730.137563	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M-H+Cl"	33.962126
"538234"	1086.715813	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M-H+Cl"	33.962126
"931748"	373.559313	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-H+Cl"	33.962126
"274685"	1461.282402	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+Cl"	34.969402
"664921"	2174.438902	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+Cl"	34.969402
"1277323"	748.125902	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Cl"	34.969402
"19879"	1463.261606	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M-2H+K"	36.948606
"457380"	2176.418106	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M-2H+K"	36.948606
"835060"	750.105106	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-2H+K"	36.948606
"1556481"	750.105106	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+K-2H"	36.948606
"946434"	758.154694	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-H+HCOOH"	44.998194
"362009"	1471.311201	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+HCOOH-H"	44.998201
"346177"	1485.326851	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+Hac-H"	59.013851
"1493099"	772.170351	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Hac-H"	59.013851
"958822"	780.136651	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-H+NaCOOH"	66.980151
"118191"	748.125902	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+2Cl"	69.938804
"559940"	1104.704152	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+2Cl"	69.938804
"1034206"	391.547652	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2Cl"	69.938804
"1255851"	792.075385	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Br"	78.918885
"1316233"	794.131372	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Cl+HCOOH"	80.974872
"1324984"	816.113329	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Cl+NaCOOH"	102.956829
"914949"	826.142086	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M-H+CF3COOH"	112.985586
"1297127"	862.118764	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Cl+CF3COOH"	148.962264
"1377477"	678.143824	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H-2H2O"	-35.012676
"1393883"	696.1538	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H-H2O"	-17.0027
"294297"	1427.320276	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+H"	1.007276
"687084"	2140.476776	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+H"	1.007276
"1364528"	714.163776	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H"	1.007276
"136324"	714.163776	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+2H"	2.014552
"569325"	1070.742026	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+2H"	2.014552
"1044685"	357.585526	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2H"	2.014552
"213679"	476.444942666667	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+3H"	3.021828
"653239"	714.163776	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+3H"	3.021828
"1169177"	238.726109333333	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+3H"	3.021828
"430261"	1444.346823	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+NH4"	18.033823
"788701"	2157.503323	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+NH4"	18.033823
"1685764"	731.190323	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+NH4"	18.033823
"333678"	722.6770495	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+H+NH4"	19.041099
"729381"	1079.2552995	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+H+NH4"	19.041099
"1488669"	366.0987995	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H+NH4"	19.041099
"400788"	1449.302218	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+Na"	22.989218
"762878"	2162.458718	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+Na"	22.989218
"1606602"	736.145718	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Na"	22.989218
"321013"	725.154747	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+H+Na"	23.996494
"713435"	1081.732997	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+H+Na"	23.996494
"1470538"	368.576497	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H+Na"	23.996494
"1056491"	246.053423333333	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2H+Na"	25.00377
"1257803"	746.189986	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+CH3OH+H"	33.033486
"380389"	1465.276158	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+K"	38.963158
"753794"	2178.432658	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+K"	38.963158
"1555362"	752.119658	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+K"	38.963158
"314091"	733.141717	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+H+K"	39.970434
"706666"	1089.719967	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+H+K"	39.970434
"1459993"	376.563467	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H+K"	39.970434
"244591"	1468.346826	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+ACN+H"	42.033826
"1218393"	755.190326	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+ACN+H"	42.033826
"1207620"	378.098801	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+ACN+2H"	43.041102
"200615"	1471.28416	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+2Na-H"	44.97116
"641268"	2184.44066	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+2Na-H"	44.97116
"1140401"	758.12766	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2Na-H"	44.97116
"181504"	736.145718	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+2Na"	45.978436
"617781"	1092.723968	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+2Na"	45.978436
"1125661"	379.567468	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2Na"	45.978436
"1404811"	253.380737333333	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H+2Na"	46.985712
"1433647"	760.169246	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H+HCOOH"	47.012746
"224435"	741.17874	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+3H2O+2H"	56.04448
"1514684"	774.22129	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+IsoProp+H"	61.06479
"413276"	744.132688	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+Na+K"	61.952376
"773177"	1100.710938	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+Na+K"	61.952376
"1670611"	387.554438	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Na+K"	61.952376
"260410"	1490.328768	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+ACN+Na"	64.015768
"1233119"	777.172268	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+ACN+Na"	64.015768
"1723099"	777.195793	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+NH4+HCOOH"	64.039293
"1180797"	260.708051333333	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+3Na"	68.967654
"1652877"	782.151188	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Na+HCOOH"	68.994688
"157305"	1503.23204	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+2K-H"	76.91904
"599298"	2216.38854	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+2K-H"	76.91904
"1084904"	790.07554	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2K-H"	76.91904
"142814"	752.119658	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"2M+2K"	77.926316
"587841"	1108.697908	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"3M+2K"	77.926316
"1073445"	395.541408	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2K"	77.926316
"1106656"	792.090092	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2K+H"	78.933592
"1343040"	792.177707	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+DMSO+H"	79.021207
"1010476"	796.216876	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2ACN+H"	83.060376
"1528606"	797.210508	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+IsoProp+Na+H"	84.054008
"990437"	398.612076	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+2ACN+2H"	84.067652
"1589922"	798.125128	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+K+HCOOH"	84.968628
"1415215"	828.156638	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+H+CF3COOH"	115.000138
"1155352"	419.125351	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+3ACN+2H"	125.094202
"1697613"	845.183185	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+NH4+CF3COOH"	132.026685
"1640554"	850.13858	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+Na+CF3COOH"	136.98208
"1584954"	866.11252	"C16304"	"Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside;Delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside"	"C30H33O20"	"713.1565"	"M+K+CF3COOH"	152.95602
"810949"	595.1663	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M"	0
"986668"	576.14791	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-H2O-H"	-19.01839
"74910"	395.770257333333	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M-3H"	-3.021828
"509005"	594.159024	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M-3H"	-3.021828
"890085"	197.381490666667	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-3H"	-3.021828
"4287"	594.159024	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M-2H"	-2.014552
"444939"	891.742174	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M-2H"	-2.014552
"826022"	296.575874	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-2H"	-2.014552
"84921"	1189.325324	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M-H"	-1.007276
"524482"	1784.491624	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M-H"	-1.007276
"910302"	594.159024	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-H"	-1.007276
"55198"	1206.351871	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M-2H+NH4"	16.019271
"490750"	1801.518171	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M-2H+NH4"	16.019271
"870739"	611.185571	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-2H+NH4"	16.019271
"35361"	1211.307266	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M-2H+Na"	20.974666
"476014"	1806.473566	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M-2H+Na"	20.974666
"852721"	616.140966	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-2H+Na"	20.974666
"1621527"	616.140966	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Na-2H"	20.974666
"97690"	612.147363	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M-H+Cl"	33.962126
"537250"	909.730513	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M-H+Cl"	33.962126
"932952"	314.564213	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-H+Cl"	33.962126
"271513"	1225.302002	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+Cl"	34.969402
"665030"	1820.468302	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+Cl"	34.969402
"1275244"	630.135702	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Cl"	34.969402
"18530"	1227.281206	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M-2H+K"	36.948606
"458462"	1822.447506	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M-2H+K"	36.948606
"835168"	632.114906	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-2H+K"	36.948606
"1556956"	632.114906	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+K-2H"	36.948606
"946544"	640.164494	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-H+HCOOH"	44.998194
"362204"	1235.330801	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+HCOOH-H"	44.998201
"346332"	1249.346451	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+Hac-H"	59.013851
"1493213"	654.180151	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Hac-H"	59.013851
"966111"	662.146451	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-H+NaCOOH"	66.980151
"120487"	630.135702	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+2Cl"	69.938804
"560049"	927.718852	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+2Cl"	69.938804
"1032129"	332.552552	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2Cl"	69.938804
"1253895"	674.085185	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Br"	78.918885
"1317072"	676.141172	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Cl+HCOOH"	80.974872
"1323271"	698.123129	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Cl+NaCOOH"	102.956829
"915059"	708.151886	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M-H+CF3COOH"	112.985586
"1293955"	744.128564	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Cl+CF3COOH"	148.962264
"1376493"	560.153624	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H-2H2O"	-35.012676
"1392897"	578.1636	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H-H2O"	-17.0027
"294771"	1191.339876	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+H"	1.007276
"688287"	1786.506176	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+H"	1.007276
"1364274"	596.173576	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H"	1.007276
"134247"	596.173576	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+2H"	2.014552
"575996"	893.756726	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+2H"	2.014552
"1048076"	298.590426	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2H"	2.014552
"217070"	397.784809333333	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+3H"	3.021828
"653349"	596.173576	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+3H"	3.021828
"1168557"	199.396042666667	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+3H"	3.021828
"432559"	1208.366423	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+NH4"	18.033823
"789178"	1803.532723	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+NH4"	18.033823
"1685875"	613.200123	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+NH4"	18.033823
"331965"	604.6868495	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+H+NH4"	19.041099
"729491"	902.2699995	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+H+NH4"	19.041099
"1488779"	307.1036995	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H+NH4"	19.041099
"400898"	1213.321818	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+Na"	22.989218
"762987"	1808.488118	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+Na"	22.989218
"1607805"	618.155518	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Na"	22.989218
"321123"	607.164547	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+H+Na"	23.996494
"714638"	904.747697	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+H+Na"	23.996494
"1470648"	309.581397	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H+Na"	23.996494
"1056237"	206.723356666667	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2H+Na"	25.00377
"1258643"	628.199786	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+CH3OH+H"	33.033486
"379771"	1229.295758	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+K"	38.963158
"750615"	1824.462058	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+K"	38.963158
"1555530"	634.129458	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+K"	38.963158
"313982"	615.151517	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+H+K"	39.970434
"704823"	912.734667	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+H+K"	39.970434
"1460467"	317.568367	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H+K"	39.970434
"251103"	1232.366426	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+ACN+H"	42.033826
"1222876"	637.200126	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+ACN+H"	42.033826
"1209637"	319.103701	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+ACN+2H"	43.041102
"201818"	1235.30376	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+2Na-H"	44.97116
"640285"	1830.47006	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+2Na-H"	44.97116
"1141604"	640.13746	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2Na-H"	44.97116
"186353"	618.155518	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+2Na"	45.978436
"624451"	915.738668	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+2Na"	45.978436
"1127957"	320.572368	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2Na"	45.978436
"1408201"	214.050670666667	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H+2Na"	46.985712
"1437036"	642.179046	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H+HCOOH"	47.012746
"225638"	623.18854	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+3H2O+2H"	56.04448
"1514793"	656.23109	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+IsoProp+H"	61.06479
"415573"	626.142488	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+Na+K"	61.952376
"774746"	923.725638	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+Na+K"	61.952376
"1678009"	328.559338	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Na+K"	61.952376
"265258"	1254.348368	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+ACN+Na"	64.015768
"1236508"	659.182068	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+ACN+Na"	64.015768
"1724301"	659.205593	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+NH4+HCOOH"	64.039293
"1180907"	221.377984666667	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+3Na"	68.967654
"1653351"	664.160988	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Na+HCOOH"	68.994688
"159847"	1267.25164	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+2K-H"	76.91904
"597581"	1862.41794	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+2K-H"	76.91904
"1084888"	672.08534	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2K-H"	76.91904
"142189"	634.129458	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"2M+2K"	77.926316
"590138"	931.712608	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"3M+2K"	77.926316
"1070396"	336.546308	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2K"	77.926316
"1103486"	674.099892	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2K+H"	78.933592
"1343150"	674.187507	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+DMSO+H"	79.021207
"1010587"	678.226676	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2ACN+H"	83.060376
"1528716"	679.220308	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+IsoProp+Na+H"	84.054008
"991761"	339.616976	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+2ACN+2H"	84.067652
"1590760"	680.134928	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+K+HCOOH"	84.968628
"1416419"	710.166438	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+H+CF3COOH"	115.000138
"1158742"	360.130251	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+3ACN+2H"	125.094202
"1698452"	727.192985	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+NH4+CF3COOH"	132.026685
"1640664"	732.14838	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+Na+CF3COOH"	136.98208
"1585064"	748.12232	"C16305"	"Pelargonidin 3-O-sophoroside"	"C27H31O15"	"595.1663"	"M+K+CF3COOH"	152.95602
"813975"	611.1612	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M"	0
"986778"	592.14281	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-H2O-H"	-19.01839
"74656"	406.433524	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M-3H"	-3.021828
"512395"	610.153924	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M-3H"	-3.021828
"894449"	202.713124	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-3H"	-3.021828
"10958"	610.153924	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M-2H"	-2.014552
"453797"	915.734524	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M-2H"	-2.014552
"826132"	304.573324	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-2H"	-2.014552
"91228"	1221.315124	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M-H"	-1.007276
"526779"	1832.476324	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M-H"	-1.007276
"907861"	610.153924	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-H"	-1.007276
"58955"	1238.341671	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M-2H+NH4"	16.019271
"497422"	1849.502871	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M-2H+NH4"	16.019271
"873037"	627.180471	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-2H+NH4"	16.019271
"37658"	1243.297066	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M-2H+Na"	20.974666
"476124"	1854.458266	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M-2H+Na"	20.974666
"852831"	632.135866	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-2H+Na"	20.974666
"1620181"	632.135866	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Na-2H"	20.974666
"95614"	628.142263	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M-H+Cl"	33.962126
"536265"	933.722863	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M-H+Cl"	33.962126
"931968"	322.561663	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-H+Cl"	33.962126
"269436"	1257.291802	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+Cl"	34.969402
"665140"	1868.453002	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+Cl"	34.969402
"1276087"	646.130602	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Cl"	34.969402
"17913"	1259.271006	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M-2H+K"	36.948606
"456871"	1870.432206	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M-2H+K"	36.948606
"834186"	648.109806	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-2H+K"	36.948606
"1557677"	648.109806	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+K-2H"	36.948606
"944467"	656.159394	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-H+HCOOH"	44.998194
"361516"	1267.320601	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+HCOOH-H"	44.998201
"345717"	1281.336251	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+Hac-H"	59.013851
"1494670"	670.175051	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Hac-H"	59.013851
"958548"	678.141351	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-H+NaCOOH"	66.980151
"117320"	646.130602	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+2Cl"	69.938804
"557971"	951.711202	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+2Cl"	69.938804
"1032239"	340.550002	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2Cl"	69.938804
"1250725"	690.080085	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Br"	78.918885
"1317546"	692.136072	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Cl+HCOOH"	80.974872
"1323017"	714.118029	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Cl+NaCOOH"	102.956829
"912251"	724.146786	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M-H+CF3COOH"	112.985586
"1292972"	760.123464	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Cl+CF3COOH"	148.962264
"1373321"	576.148524	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H-2H2O"	-35.012676
"1389726"	594.1585	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H-H2O"	-17.0027
"293789"	1223.329676	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+H"	1.007276
"687304"	1834.490876	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+H"	1.007276
"1363291"	612.168476	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H"	1.007276
"131077"	612.168476	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+2H"	2.014552
"571732"	917.749076	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+2H"	2.014552
"1042718"	306.587876	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2H"	2.014552
"210618"	408.448076	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+3H"	3.021828
"652366"	612.168476	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+3H"	3.021828
"1170489"	204.727676	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+3H"	3.021828
"429389"	1240.356223	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+NH4"	18.033823
"787831"	1851.517423	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+NH4"	18.033823
"1691089"	629.195023	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+NH4"	18.033823
"338274"	620.6817495	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+H+NH4"	19.041099
"729601"	926.2623495	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+H+NH4"	19.041099
"1489986"	315.1011495	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H+NH4"	19.041099
"405382"	1245.311618	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+Na"	22.989218
"764190"	1856.472818	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+Na"	22.989218
"1607915"	634.150418	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Na"	22.989218
"321233"	623.159447	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+H+Na"	23.996494
"714748"	928.740047	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+H+Na"	23.996494
"1470758"	317.578847	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H+Na"	23.996494
"1056347"	212.05499	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2H+Na"	25.00377
"1258753"	644.194686	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+CH3OH+H"	33.033486
"379880"	1261.285558	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+K"	38.963158
"750725"	1872.446758	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+K"	38.963158
"1553147"	650.124358	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+K"	38.963158
"311051"	631.146417	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+H+K"	39.970434
"706512"	936.727017	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+H+K"	39.970434
"1460218"	325.565817	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H+K"	39.970434
"250155"	1264.356226	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+ACN+H"	42.033826
"1222984"	653.195026	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+ACN+H"	42.033826
"1204681"	327.101151	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+ACN+2H"	43.041102
"200835"	1267.29356	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+2Na-H"	44.97116
"640395"	1878.45476	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+2Na-H"	44.97116
"1141714"	656.13236	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2Na-H"	44.97116
"185734"	634.150418	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+2Na"	45.978436
"621281"	939.731018	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+2Na"	45.978436
"1125879"	328.569818	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2Na"	45.978436
"1407218"	219.382304	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H+2Na"	46.985712
"1436053"	658.173946	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H+HCOOH"	47.012746
"225748"	639.18344	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+3H2O+2H"	56.04448
"1517090"	672.22599	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+IsoProp+H"	61.06479
"412403"	642.137388	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+Na+K"	61.952376
"778869"	947.717988	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+Na+K"	61.952376
"1677390"	336.556788	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Na+K"	61.952376
"266461"	1286.338168	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+ACN+Na"	64.015768
"1236618"	675.176968	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+ACN+Na"	64.015768
"1724411"	675.200493	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+NH4+HCOOH"	64.039293
"1185391"	226.709618	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+3Na"	68.967654
"1654191"	680.155888	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Na+HCOOH"	68.994688
"159958"	1299.24144	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+2K-H"	76.91904
"602799"	1910.40264	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+2K-H"	76.91904
"1086218"	688.08024	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2K-H"	76.91904
"146315"	650.124358	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"2M+2K"	77.926316
"588062"	955.704958	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"3M+2K"	77.926316
"1075853"	344.543758	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2K"	77.926316
"1110157"	690.094792	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2K+H"	78.933592
"1345448"	690.182407	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+DMSO+H"	79.021207
"1015072"	694.221576	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2ACN+H"	83.060376
"1528826"	695.215208	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+IsoProp+Na+H"	84.054008
"991383"	347.614426	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+2ACN+2H"	84.067652
"1589411"	696.129828	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+K+HCOOH"	84.968628
"1415068"	726.161338	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+H+CF3COOH"	115.000138
"1158852"	368.127701	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+3ACN+2H"	125.094202
"1697469"	743.187885	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+NH4+CF3COOH"	132.026685
"1637494"	748.14328	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+Na+CF3COOH"	136.98208
"1585174"	764.11722	"C16306"	"Cyanidin 3-O-sophoroside"	"C27H31O16"	"611.1612"	"M+K+CF3COOH"	152.95602
"816272"	627.1561	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M"	0
"986888"	608.13771	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-H2O-H"	-19.01839
"74765"	417.096790666667	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M-3H"	-3.021828
"512505"	626.148824	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M-3H"	-3.021828
"892859"	208.044757333333	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-3H"	-3.021828
"11068"	626.148824	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M-2H"	-2.014552
"451720"	939.726874	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M-2H"	-2.014552
"831104"	312.570774	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-2H"	-2.014552
"92799"	1253.304924	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M-H"	-1.007276
"533825"	1880.461024	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M-H"	-1.007276
"910654"	626.148824	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-H"	-1.007276
"61619"	1270.331471	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M-2H+NH4"	16.019271
"499719"	1897.487571	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M-2H+NH4"	16.019271
"874240"	643.175371	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-2H+NH4"	16.019271
"39955"	1275.286866	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M-2H+Na"	20.974666
"479514"	1902.442966	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M-2H+Na"	20.974666
"858408"	648.130766	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-2H+Na"	20.974666
"1625757"	648.130766	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Na-2H"	20.974666
"102285"	644.137163	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M-H+Cl"	33.962126
"542571"	957.715213	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M-H+Cl"	33.962126
"937546"	330.559113	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-H+Cl"	33.962126
"272095"	1289.281602	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+Cl"	34.969402
"662335"	1916.437702	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+Cl"	34.969402
"1275103"	662.125502	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Cl"	34.969402
"24583"	1291.260806	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M-2H+K"	36.948606
"457590"	1918.416906	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M-2H+K"	36.948606
"833202"	664.104706	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-2H+K"	36.948606
"1557058"	664.104706	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+K-2H"	36.948606
"944577"	672.154294	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-H+HCOOH"	44.998194
"363156"	1299.310401	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+HCOOH-H"	44.998201
"345938"	1313.326051	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+Hac-H"	59.013851
"1494780"	686.169951	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Hac-H"	59.013851
"958752"	694.136251	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-H+NaCOOH"	66.980151
"114150"	662.125502	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+2Cl"	69.938804
"560268"	975.703552	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+2Cl"	69.938804
"1032349"	348.547452	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2Cl"	69.938804
"1255574"	706.074985	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Br"	78.918885
"1318023"	708.130972	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Cl+HCOOH"	80.974872
"1323127"	730.112929	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Cl+NaCOOH"	102.956829
"913091"	740.141686	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M-H+CF3COOH"	112.985586
"1293082"	776.118364	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Cl+CF3COOH"	148.962264
"1370151"	592.143424	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H-2H2O"	-35.012676
"1389836"	610.1534	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H-H2O"	-17.0027
"295722"	1255.319476	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+H"	1.007276
"688144"	1882.475576	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+H"	1.007276
"1364496"	628.163376	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H"	1.007276
"137749"	628.163376	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+2H"	2.014552
"577309"	941.741426	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+2H"	2.014552
"1047201"	314.585326	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2H"	2.014552
"216195"	419.111342666667	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+3H"	3.021828
"658671"	628.163376	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+3H"	3.021828
"1176068"	210.059309333333	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+3H"	3.021828
"431686"	1272.346023	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+NH4"	18.033823
"793774"	1899.502123	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+NH4"	18.033823
"1692292"	645.189923	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+NH4"	18.033823
"341667"	636.6766495	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+H+NH4"	19.041099
"735909"	950.2546995	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+H+NH4"	19.041099
"1489733"	323.0985995	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H+NH4"	19.041099
"404402"	1277.301418	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+Na"	22.989218
"762114"	1904.457518	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+Na"	22.989218
"1614587"	650.145318	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Na"	22.989218
"325718"	639.154347	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+H+Na"	23.996494
"719233"	952.732397	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+H+Na"	23.996494
"1471961"	325.576297	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H+Na"	23.996494
"1055364"	217.386623333333	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2H+Na"	25.00377
"1260324"	660.189586	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+CH3OH+H"	33.033486
"378895"	1293.275358	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+K"	38.963158
"750835"	1920.431458	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+K"	38.963158
"1553619"	666.119258	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+K"	38.963158
"310797"	647.141317	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+H+K"	39.970434
"706137"	960.719367	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+H+K"	39.970434
"1459598"	333.563267	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H+K"	39.970434
"249657"	1296.346026	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+ACN+H"	42.033826
"1220907"	669.189926	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+ACN+H"	42.033826
"1203698"	335.098601	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+ACN+2H"	43.041102
"199852"	1299.28336	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+2Na-H"	44.97116
"640505"	1926.43946	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+2Na-H"	44.97116
"1136357"	672.12726	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2Na-H"	44.97116
"175275"	650.145318	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+2Na"	45.978436
"621392"	963.723368	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+2Na"	45.978436
"1123804"	336.567268	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2Na"	45.978436
"1401861"	224.713937333333	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H+2Na"	46.985712
"1435801"	674.168846	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H+HCOOH"	47.012746
"225858"	655.17834	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+3H2O+2H"	56.04448
"1516108"	688.22089	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+IsoProp+H"	61.06479
"411420"	658.132288	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+Na+K"	61.952376
"775699"	971.710338	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+Na+K"	61.952376
"1673125"	344.554238	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Na+K"	61.952376
"256364"	1318.327968	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+ACN+Na"	64.015768
"1235271"	691.171868	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+ACN+Na"	64.015768
"1721240"	691.195393	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+NH4+HCOOH"	64.039293
"1179304"	232.041251333333	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+3Na"	68.967654
"1653206"	696.150788	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Na+HCOOH"	68.994688
"160068"	1331.23124	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+2K-H"	76.91904
"602909"	1958.38734	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+2K-H"	76.91904
"1088515"	704.07514	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2K-H"	76.91904
"149705"	666.119258	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"2M+2K"	77.926316
"584892"	979.697308	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"3M+2K"	77.926316
"1078151"	352.541208	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2K"	77.926316
"1105895"	706.089692	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2K+H"	78.933592
"1346652"	706.177307	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+DMSO+H"	79.021207
"1014090"	710.216476	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2ACN+H"	83.060376
"1527843"	711.210108	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+IsoProp+Na+H"	84.054008
"991735"	355.611876	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+2ACN+2H"	84.067652
"1589887"	712.124728	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+K+HCOOH"	84.968628
"1414256"	742.156238	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+H+CF3COOH"	115.000138
"1153494"	376.125151	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+3ACN+2H"	125.094202
"1697700"	759.182785	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+NH4+CF3COOH"	132.026685
"1637604"	764.13818	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+Na+CF3COOH"	136.98208
"1585284"	780.11212	"C16307"	"Delphinidin 3-O-sophoroside"	"C27H31O17"	"627.1561"	"M+K+CF3COOH"	152.95602
"812372"	228.1362	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M"	0
"985905"	209.11781	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-H2O-H"	-19.01839
"75610"	151.083524	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M-3H"	-3.021828
"509333"	227.128924	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M-3H"	-3.021828
"893696"	75.038124	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-3H"	-3.021828
"4617"	227.128924	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M-2H"	-2.014552
"449646"	341.197024	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M-2H"	-2.014552
"831578"	113.060824	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-2H"	-2.014552
"92180"	455.265124	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M-H"	-1.007276
"532224"	683.401324	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M-H"	-1.007276
"906988"	227.128924	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-H"	-1.007276
"58081"	472.291671	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M-2H+NH4"	16.019271
"495454"	700.427871	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M-2H+NH4"	16.019271
"873258"	244.155471	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-2H+NH4"	16.019271
"41159"	477.247066	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M-2H+Na"	20.974666
"482905"	705.383266	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M-2H+Na"	20.974666
"858519"	249.110866	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-2H+Na"	20.974666
"1623678"	249.110866	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Na-2H"	20.974666
"101299"	245.117263	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M-H+Cl"	33.962126
"541953"	359.185363	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M-H+Cl"	33.962126
"940936"	131.049163	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-H+Cl"	33.962126
"271843"	491.241802	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+Cl"	34.969402
"666455"	719.378002	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+Cl"	34.969402
"1273757"	263.105602	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Cl"	34.969402
"17769"	493.221006	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M-2H+K"	36.948606
"460980"	721.357206	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M-2H+K"	36.948606
"834529"	265.084806	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-2H+K"	36.948606
"1562272"	265.084806	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+K-2H"	36.948606
"952342"	273.134394	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-H+HCOOH"	44.998194
"361966"	501.270601	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+HCOOH-H"	44.998201
"345759"	515.286251	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+Hac-H"	59.013851
"1498901"	287.150051	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Hac-H"	59.013851
"963161"	295.116351	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-H+NaCOOH"	66.980151
"120821"	263.105602	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+2Cl"	69.938804
"558194"	377.173702	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+2Cl"	69.938804
"1030273"	149.037502	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2Cl"	69.938804
"1247663"	307.055085	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Br"	78.918885
"1316310"	309.111072	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Cl+HCOOH"	80.974872
"1327611"	331.093029	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Cl+NaCOOH"	102.956829
"916484"	341.121786	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M-H+CF3COOH"	112.985586
"1291006"	377.098464	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Cl+CF3COOH"	148.962264
"1379377"	193.123524	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H-2H2O"	-35.012676
"1397118"	211.1335	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H-H2O"	-17.0027
"295468"	457.279676	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+H"	1.007276
"686796"	685.415876	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+H"	1.007276
"1363510"	229.143476	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H"	1.007276
"139681"	229.143476	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+2H"	2.014552
"576689"	343.211576	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+2H"	2.014552
"1049134"	115.075376	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2H"	2.014552
"216306"	153.098076	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+3H"	3.021828
"658782"	229.143476	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+3H"	3.021828
"1178003"	77.052676	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+3H"	3.021828
"435077"	474.306223	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+NH4"	18.033823
"794978"	702.442423	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+NH4"	18.033823
"1694591"	246.170023	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+NH4"	18.033823
"343964"	237.6567495	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+H+NH4"	19.041099
"737113"	351.7248495	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+H+NH4"	19.041099
"1491664"	123.5886495	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H+NH4"	19.041099
"404510"	479.261618	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+Na"	22.989218
"761131"	707.397818	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+Na"	22.989218
"1615428"	251.125418	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Na"	22.989218
"325828"	240.134447	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+H+Na"	23.996494
"720074"	354.202547	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+H+Na"	23.996494
"1470978"	126.066347	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H+Na"	23.996494
"1055474"	84.37999	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2H+Na"	25.00377
"1261527"	261.169686	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+CH3OH+H"	33.033486
"379005"	495.235558	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+K"	38.963158
"753864"	723.371758	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+K"	38.963158
"1555196"	267.099358	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+K"	38.963158
"313464"	248.121417	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+H+K"	39.970434
"706005"	362.189517	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+H+K"	39.970434
"1460317"	134.053317	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H+K"	39.970434
"251188"	498.306226	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+ACN+H"	42.033826
"1222840"	270.170026	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+ACN+H"	42.033826
"1206724"	135.588651	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+ACN+2H"	43.041102
"199962"	501.24356	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+2Na-H"	44.97116
"642438"	729.37976	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+2Na-H"	44.97116
"1136467"	273.10736	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2Na-H"	44.97116
"175385"	251.125418	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+2Na"	45.978436
"624420"	365.193518	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+2Na"	45.978436
"1125010"	137.057318	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2Na"	45.978436
"1405980"	91.707304	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H+2Na"	46.985712
"1439555"	275.148946	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H+HCOOH"	47.012746
"229250"	256.15844	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+3H2O+2H"	56.04448
"1517312"	289.20099	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+IsoProp+H"	61.06479
"413716"	259.112388	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+Na+K"	61.952376
"774713"	373.180488	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+Na+K"	61.952376
"1673235"	145.044288	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Na+K"	61.952376
"256474"	520.288168	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+ACN+Na"	64.015768
"1236110"	292.151968	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+ACN+Na"	64.015768
"1723174"	292.175493	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+NH4+HCOOH"	64.039293
"1184518"	99.034618	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+3Na"	68.967654
"1655504"	297.130888	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Na+HCOOH"	68.994688
"164553"	533.19144	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+2K-H"	76.91904
"603020"	761.32764	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+2K-H"	76.91904
"1087532"	305.05524	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2K-H"	76.91904
"150909"	267.099358	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"2M+2K"	77.926316
"587190"	381.167458	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"3M+2K"	77.926316
"1078262"	153.031258	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2K"	77.926316
"1112566"	307.069792	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2K+H"	78.933592
"1346765"	307.157407	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+DMSO+H"	79.021207
"1016390"	311.196576	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2ACN+H"	83.060376
"1533420"	312.190208	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+IsoProp+Na+H"	84.054008
"993307"	156.101926	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+2ACN+2H"	84.067652
"1591090"	313.104828	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+K+HCOOH"	84.968628
"1415167"	343.136338	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+H+CF3COOH"	115.000138
"1152511"	176.615201	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+3ACN+2H"	125.094202
"1699876"	360.162885	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+NH4+CF3COOH"	132.026685
"1640994"	365.11828	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+Na+CF3COOH"	136.98208
"1585394"	381.09222	"C16308"	"Traumatic acid;(2E)-Dodecenedioic acid;Dodec-2-enedioic acid"	"C12H20O4"	"228.1362"	"M+K+CF3COOH"	152.95602
"817013"	212.1412	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M"	0
"989739"	193.12281	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-H2O-H"	-19.01839
"77177"	140.420190666667	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M-3H"	-3.021828
"518441"	211.133924	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M-3H"	-3.021828
"889435"	69.7064573333333	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-3H"	-3.021828
"14207"	211.133924	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H"	-2.014552
"454862"	317.204524	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H"	-2.014552
"831707"	105.063324	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-2H"	-2.014552
"94078"	423.275124	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M-H"	-1.007276
"531483"	635.416324	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M-H"	-1.007276
"909285"	211.133924	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-H"	-1.007276
"54911"	440.301671	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H+NH4"	16.019271
"495564"	652.442871	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H+NH4"	16.019271
"879202"	228.160471	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-2H+NH4"	16.019271
"45280"	445.257066	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H+Na"	20.974666
"486060"	657.398266	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H+Na"	20.974666
"863372"	233.115866	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-2H+Na"	20.974666
"1622699"	233.115866	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Na-2H"	20.974666
"99228"	229.122263	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M-H+Cl"	33.962126
"542068"	335.192863	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M-H+Cl"	33.962126
"937767"	123.051663	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-H+Cl"	33.962126
"271954"	459.251802	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+Cl"	34.969402
"666564"	671.393002	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+Cl"	34.969402
"1283342"	247.110602	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl"	34.969402
"20432"	461.231006	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H+K"	36.948606
"457077"	673.372206	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H+K"	36.948606
"833422"	249.089806	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-2H+K"	36.948606
"1556303"	249.089806	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+K-2H"	36.948606
"948078"	257.139394	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-H+HCOOH"	44.998194
"364105"	469.280601	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+HCOOH-H"	44.998201
"352364"	483.296251	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+Hac-H"	59.013851
"1500104"	271.155051	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Hac-H"	59.013851
"971293"	279.121351	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-H+NaCOOH"	66.980151
"120931"	247.110602	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+2Cl"	69.938804
"560490"	353.181202	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+2Cl"	69.938804
"1031477"	141.040002	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2Cl"	69.938804
"1246681"	291.060085	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Br"	78.918885
"1315691"	293.116072	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl+HCOOH"	80.974872
"1326628"	315.098029	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl+NaCOOH"	102.956829
"914407"	325.126786	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M-H+CF3COOH"	112.985586
"1295492"	361.103464	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl+CF3COOH"	148.962264
"1376935"	177.128524	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H-2H2O"	-35.012676
"1394432"	195.1385	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H-H2O"	-17.0027
"294118"	425.289676	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+H"	1.007276
"686541"	637.430876	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+H"	1.007276
"1362891"	213.148476	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H"	1.007276
"139429"	213.148476	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+2H"	2.014552
"578257"	319.219076	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+2H"	2.014552
"1050702"	107.077876	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2H"	2.014552
"218602"	142.434742666667	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+3H"	3.021828
"659744"	213.148476	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+3H"	3.021828
"1175195"	71.7210093333333	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+3H"	3.021828
"436282"	442.316223	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+NH4"	18.033823
"800558"	654.457423	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+NH4"	18.033823
"1695429"	230.175023	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+NH4"	18.033823
"345165"	221.6617495	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+H+NH4"	19.041099
"737587"	327.7323495	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+H+NH4"	19.041099
"1492137"	115.5911495	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H+NH4"	19.041099
"401338"	447.271618	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+Na"	22.989218
"769264"	659.412818	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+Na"	22.989218
"1615902"	235.130418	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Na"	22.989218
"321564"	224.139447	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+H+Na"	23.996494
"715079"	330.210047	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+H+Na"	23.996494
"1473273"	118.068847	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H+Na"	23.996494
"1064697"	79.0483233333333	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2H+Na"	25.00377
"1261634"	245.174686	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+CH3OH+H"	33.033486
"382397"	463.245558	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+K"	38.963158
"744490"	675.386758	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+K"	38.963158
"1554939"	251.104358	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+K"	38.963158
"313529"	232.126417	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+H+K"	39.970434
"706854"	338.197017	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+H+K"	39.970434
"1460911"	126.055817	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H+K"	39.970434
"251057"	466.316226	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+ACN+H"	42.033826
"1225142"	254.175026	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+ACN+H"	42.033826
"1206834"	127.591151	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+ACN+2H"	43.041102
"200072"	469.25356	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+2Na-H"	44.97116
"639632"	681.39476	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+2Na-H"	44.97116
"1138763"	257.11236	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2Na-H"	44.97116
"179867"	235.130418	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+2Na"	45.978436
"622708"	341.201018	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+2Na"	45.978436
"1125848"	129.059818	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2Na"	45.978436
"1406094"	86.3756373333333	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H+2Na"	46.985712
"1439666"	259.153946	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H+HCOOH"	47.012746
"229726"	240.16344	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+3H2O+2H"	56.04448
"1519610"	273.20599	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+IsoProp+H"	61.06479
"417474"	243.117388	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+Na+K"	61.952376
"781387"	349.187988	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+Na+K"	61.952376
"1677356"	137.046788	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Na+K"	61.952376
"263876"	488.298168	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+ACN+Na"	64.015768
"1234762"	276.156968	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+ACN+Na"	64.015768
"1722555"	276.180493	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+NH4+HCOOH"	64.039293
"1188638"	93.7029513333333	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+3Na"	68.967654
"1661082"	281.135888	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Na+HCOOH"	68.994688
"164663"	501.20144	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+2K-H"	76.91904
"602037"	713.34264	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+2K-H"	76.91904
"1088736"	289.06024	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2K-H"	76.91904
"153206"	251.104358	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"2M+2K"	77.926316
"589487"	357.174958	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"3M+2K"	77.926316
"1080559"	145.033758	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2K"	77.926316
"1108303"	291.074792	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2K+H"	78.933592
"1346875"	291.162407	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+DMSO+H"	79.021207
"1017227"	295.201576	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2ACN+H"	83.060376
"1524453"	296.195208	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+IsoProp+Na+H"	84.054008
"990376"	148.104426	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+2ACN+2H"	84.067652
"1589014"	297.109828	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+K+HCOOH"	84.968628
"1414912"	327.141338	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+H+CF3COOH"	115.000138
"1152621"	168.617701	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+3ACN+2H"	125.094202
"1699986"	344.167885	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+NH4+CF3COOH"	132.026685
"1641104"	349.12328	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+Na+CF3COOH"	136.98208
"1585504"	365.09722	"C16309"	"Traumatin;(10E)-12-Oxododecenoic acid"	"C12H20O3"	"212.1412"	"M+K+CF3COOH"	152.95602
"812592"	98.0732	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M"	0
"982845"	79.05481	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-H2O-H"	-19.01839
"77651"	64.3748573333333	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M-3H"	-3.021828
"509553"	97.065924	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M-3H"	-3.021828
"888450"	31.6837906666667	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-3H"	-3.021828
"3014"	97.065924	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M-2H"	-2.014552
"450960"	146.102524	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M-2H"	-2.014552
"829855"	48.029324	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-2H"	-2.014552
"86567"	195.139124	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M-H"	-1.007276
"528311"	293.212324	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M-H"	-1.007276
"905022"	97.065924	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-H"	-1.007276
"55021"	212.165671	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M-2H+NH4"	16.019271
"496767"	310.238871	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M-2H+NH4"	16.019271
"877851"	114.092471	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-2H+NH4"	16.019271
"43567"	217.121066	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M-2H+Na"	20.974666
"483128"	315.194266	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M-2H+Na"	20.974666
"863114"	119.047866	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-2H+Na"	20.974666
"1620986"	119.047866	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Na-2H"	20.974666
"96420"	115.054263	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M-H+Cl"	33.962126
"542178"	164.090863	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M-H+Cl"	33.962126
"932412"	66.017663	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-H+Cl"	33.962126
"269878"	231.115802	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+Cl"	34.969402
"663394"	329.189002	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+Cl"	34.969402
"1276891"	133.042602	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Cl"	34.969402
"23821"	233.095006	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M-2H+K"	36.948606
"457305"	331.168206	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M-2H+K"	36.948606
"833653"	135.021806	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-2H+K"	36.948606
"1556292"	135.021806	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+K-2H"	36.948606
"948188"	143.071394	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-H+HCOOH"	44.998194
"366402"	241.144601	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+HCOOH-H"	44.998201
"352474"	255.160251	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+Hac-H"	59.013851
"1497297"	157.087051	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Hac-H"	59.013851
"971403"	165.053351	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-H+NaCOOH"	66.980151
"123226"	133.042602	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+2Cl"	69.938804
"560599"	182.079202	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+2Cl"	69.938804
"1027211"	84.006002	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2Cl"	69.938804
"1245696"	176.992085	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Br"	78.918885
"1311426"	179.048072	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Cl+HCOOH"	80.974872
"1325644"	201.030029	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Cl+NaCOOH"	102.956829
"914152"	211.058786	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M-H+CF3COOH"	112.985586
"1294508"	247.035464	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Cl+CF3COOH"	148.962264
"1373765"	63.060524	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H-2H2O"	-35.012676
"1394907"	81.0705	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H-H2O"	-17.0027
"295327"	197.153676	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+H"	1.007276
"688841"	295.226876	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+H"	1.007276
"1364463"	99.080476	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H"	1.007276
"138809"	99.080476	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+2H"	2.014552
"576911"	148.117076	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+2H"	2.014552
"1047532"	50.043876	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2H"	2.014552
"218715"	66.3894093333333	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+3H"	3.021828
"652807"	99.080476	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+3H"	3.021828
"1176035"	33.6983426666667	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+3H"	3.021828
"438580"	214.180223	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+NH4"	18.033823
"799215"	312.253423	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+NH4"	18.033823
"1693717"	116.107023	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+NH4"	18.033823
"340903"	107.5937495	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+H+NH4"	19.041099
"734418"	156.6303495	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+H+NH4"	19.041099
"1491518"	58.5571495	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H+NH4"	19.041099
"400355"	219.135618	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+Na"	22.989218
"767914"	317.208818	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+Na"	22.989218
"1618079"	121.062418	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Na"	22.989218
"322766"	110.071447	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+H+Na"	23.996494
"718469"	159.108047	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+H+Na"	23.996494
"1474478"	61.034847	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H+Na"	23.996494
"1064807"	41.0256566666667	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2H+Na"	25.00377
"1261746"	131.106686	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+CH3OH+H"	33.033486
"382508"	235.109558	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+K"	38.963158
"744600"	333.182758	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+K"	38.963158
"1553588"	137.036358	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+K"	38.963158
"314088"	118.058417	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+H+K"	39.970434
"706759"	167.095017	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+H+K"	39.970434
"1461103"	69.021817	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H+K"	39.970434
"251009"	238.180226	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+ACN+H"	42.033826
"1225007"	140.107026	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+ACN+H"	42.033826
"1209577"	70.557151	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+ACN+2H"	43.041102
"197992"	241.11756	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+2Na-H"	44.97116
"640470"	339.19076	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+2Na-H"	44.97116
"1138875"	143.04436	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2Na-H"	44.97116
"181072"	121.062418	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+2Na"	45.978436
"620632"	170.099018	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+2Na"	45.978436
"1125228"	72.025818	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2Na"	45.978436
"1405475"	48.3529706666667	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H+2Na"	46.985712
"1437589"	145.085946	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H+HCOOH"	47.012746
"227282"	126.09544	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+3H2O+2H"	56.04448
"1518261"	159.13799	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+IsoProp+H"	61.06479
"417219"	129.049388	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+Na+K"	61.952376
"781495"	178.085988	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+Na+K"	61.952376
"1676009"	80.012788	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Na+K"	61.952376
"262529"	260.162168	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+ACN+Na"	64.015768
"1235967"	162.088968	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+ACN+Na"	64.015768
"1724851"	162.112493	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+NH4+HCOOH"	64.039293
"1183645"	55.6802846666667	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+3Na"	68.967654
"1660099"	167.067888	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Na+HCOOH"	68.994688
"163680"	273.06544	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+2K-H"	76.91904
"601053"	371.13864	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+2K-H"	76.91904
"1084956"	174.99224	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2K-H"	76.91904
"152223"	137.036358	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"2M+2K"	77.926316
"590691"	186.072958	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"3M+2K"	77.926316
"1081762"	87.999758	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2K"	77.926316
"1110600"	177.006792	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2K+H"	78.933592
"1340425"	177.094407	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+DMSO+H"	79.021207
"1016607"	181.133576	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2ACN+H"	83.060376
"1525373"	182.127208	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+IsoProp+Na+H"	84.054008
"991340"	91.070426	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+2ACN+2H"	84.067652
"1589124"	183.041828	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+K+HCOOH"	84.968628
"1415388"	213.073338	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+H+CF3COOH"	115.000138
"1150544"	111.583701	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+3ACN+2H"	125.094202
"1700096"	230.099885	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+NH4+CF3COOH"	132.026685
"1641214"	235.05528	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+Na+CF3COOH"	136.98208
"1585614"	251.02922	"C16310"	"3-Hexenal;(3Z)-Hexenal"	"C6H10O"	"98.0732"	"M+K+CF3COOH"	152.95602
"814890"	212.1412	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M"	0
"988424"	193.12281	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-H2O-H"	-19.01839
"75571"	140.420190666667	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M-3H"	-3.021828
"507477"	211.133924	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M-3H"	-3.021828
"889653"	69.7064573333333	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-3H"	-3.021828
"4949"	211.133924	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H"	-2.014552
"451071"	317.204524	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H"	-2.014552
"827779"	105.063324	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-2H"	-2.014552
"91052"	423.275124	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M-H"	-1.007276
"529516"	635.416324	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M-H"	-1.007276
"906226"	211.133924	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-H"	-1.007276
"56225"	440.301671	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H+NH4"	16.019271
"501860"	652.442871	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H+NH4"	16.019271
"877597"	228.160471	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-2H+NH4"	16.019271
"46235"	445.257066	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H+Na"	20.974666
"484698"	657.398266	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H+Na"	20.974666
"861041"	233.115866	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-2H+Na"	20.974666
"1628386"	233.115866	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Na-2H"	20.974666
"99448"	229.122263	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M-H+Cl"	33.962126
"545568"	335.192863	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M-H+Cl"	33.962126
"935802"	123.051663	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-H+Cl"	33.962126
"274362"	459.251802	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+Cl"	34.969402
"666784"	671.393002	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+Cl"	34.969402
"1282468"	247.110602	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl"	34.969402
"23931"	461.231006	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M-2H+K"	36.948606
"456934"	673.372206	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M-2H+K"	36.948606
"833278"	249.089806	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-2H+K"	36.948606
"1557497"	249.089806	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+K-2H"	36.948606
"948298"	257.139394	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-H+HCOOH"	44.998194
"369792"	469.280601	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+HCOOH-H"	44.998201
"352584"	483.296251	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+Hac-H"	59.013851
"1499229"	271.155051	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Hac-H"	59.013851
"971147"	279.121351	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-H+NaCOOH"	66.980151
"121149"	247.110602	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+2Cl"	69.938804
"555240"	353.181202	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+2Cl"	69.938804
"1030602"	141.040002	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2Cl"	69.938804
"1246899"	291.060085	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Br"	78.918885
"1313725"	293.116072	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl+HCOOH"	80.974872
"1324660"	315.098029	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl+NaCOOH"	102.956829
"920095"	325.126786	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M-H+CF3COOH"	112.985586
"1295711"	361.103464	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Cl+CF3COOH"	148.962264
"1373873"	177.128524	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H-2H2O"	-35.012676
"1389183"	195.1385	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H-H2O"	-17.0027
"295435"	425.289676	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+H"	1.007276
"688223"	637.430876	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+H"	1.007276
"1365300"	213.148476	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H"	1.007276
"137824"	213.148476	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+2H"	2.014552
"573374"	319.219076	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+2H"	2.014552
"1042173"	107.077876	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2H"	2.014552
"215907"	142.434742666667	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+3H"	3.021828
"655103"	213.148476	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+3H"	3.021828
"1169948"	71.7210093333333	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+3H"	3.021828
"428847"	442.316223	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+NH4"	18.033823
"792028"	654.457423	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+NH4"	18.033823
"1687264"	230.175023	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+NH4"	18.033823
"338823"	221.6617495	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+H+NH4"	19.041099
"729055"	327.7323495	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+H+NH4"	19.041099
"1483972"	115.5911495	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H+NH4"	19.041099
"399371"	447.271618	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+Na"	22.989218
"760367"	659.412818	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+Na"	22.989218
"1607371"	235.130418	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Na"	22.989218
"317408"	224.139447	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+H+Na"	23.996494
"715298"	330.210047	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+H+Na"	23.996494
"1469118"	118.068847	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H+Na"	23.996494
"1066376"	79.0483233333333	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2H+Na"	25.00377
"1262949"	245.174686	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+CH3OH+H"	33.033486
"384804"	463.245558	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+K"	38.963158
"741791"	675.386758	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+K"	38.963158
"1552603"	251.104358	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+K"	38.963158
"308321"	232.126417	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+H+K"	39.970434
"704388"	338.197017	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+H+K"	39.970434
"1460395"	126.055817	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H+K"	39.970434
"250456"	466.316226	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+ACN+H"	42.033826
"1225232"	254.175026	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+ACN+H"	42.033826
"1209117"	127.591151	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+ACN+2H"	43.041102
"203206"	469.25356	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+2Na-H"	44.97116
"641308"	681.39476	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+2Na-H"	44.97116
"1140077"	257.11236	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2Na-H"	44.97116
"180086"	235.130418	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+2Na"	45.978436
"621833"	341.201018	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+2Na"	45.978436
"1123151"	129.059818	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2Na"	45.978436
"1404487"	86.3756373333333	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H+2Na"	46.985712
"1436604"	259.153946	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H+HCOOH"	47.012746
"223018"	240.16344	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+3H2O+2H"	56.04448
"1518006"	273.20599	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+IsoProp+H"	61.06479
"418058"	243.117388	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+Na+K"	61.952376
"780146"	349.187988	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+Na+K"	61.952376
"1676482"	137.046788	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Na+K"	61.952376
"261180"	488.298168	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+ACN+Na"	64.015768
"1236076"	276.156968	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+ACN+Na"	64.015768
"1724966"	276.180493	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+NH4+HCOOH"	64.039293
"1183754"	93.7029513333333	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+3Na"	68.967654
"1655834"	281.135888	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Na+HCOOH"	68.994688
"162695"	501.20144	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+2K-H"	76.91904
"604442"	713.34264	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+2K-H"	76.91904
"1088955"	289.06024	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2K-H"	76.91904
"149051"	251.104358	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"2M+2K"	77.926316
"591893"	357.174958	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"3M+2K"	77.926316
"1077500"	145.033758	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2K"	77.926316
"1113989"	291.074792	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2K+H"	78.933592
"1346000"	291.162407	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+DMSO+H"	79.021207
"1014531"	295.201576	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2ACN+H"	83.060376
"1531559"	296.195208	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+IsoProp+Na+H"	84.054008
"996917"	148.104426	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+2ACN+2H"	84.067652
"1587530"	297.109828	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+K+HCOOH"	84.968628
"1414891"	327.141338	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+H+CF3COOH"	115.000138
"1150654"	168.617701	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+3ACN+2H"	125.094202
"1698383"	344.167885	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+NH4+CF3COOH"	132.026685
"1638044"	349.12328	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+Na+CF3COOH"	136.98208
"1585724"	365.09722	"C16311"	"12-Oxo-9(Z)-dodecenoic acid"	"C12H20O3"	"212.1412"	"M+K+CF3COOH"	152.95602
"812812"	627.1561	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M"	0
"985251"	608.13771	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-H2O-H"	-19.01839
"72403"	417.096790666667	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M-3H"	-3.021828
"513055"	626.148824	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M-3H"	-3.021828
"887575"	208.044757333333	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-3H"	-3.021828
"8337"	626.148824	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M-2H"	-2.014552
"450087"	939.726874	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M-2H"	-2.014552
"827890"	312.570774	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-2H"	-2.014552
"92743"	1253.304924	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M-H"	-1.007276
"529626"	1880.461024	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M-H"	-1.007276
"906336"	626.148824	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-H"	-1.007276
"56335"	1270.331471	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M-2H+NH4"	16.019271
"501607"	1897.487571	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M-2H+NH4"	16.019271
"876978"	643.175371	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-2H+NH4"	16.019271
"45736"	1275.286866	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M-2H+Na"	20.974666
"486149"	1902.442966	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M-2H+Na"	20.974666
"862247"	648.130766	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-2H+Na"	20.974666
"1629956"	648.130766	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Na-2H"	20.974666
"98828"	644.137163	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M-H+Cl"	33.962126
"546045"	957.715213	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M-H+Cl"	33.962126
"938101"	330.559113	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-H+Cl"	33.962126
"276659"	1289.281602	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+Cl"	34.969402
"670174"	1916.437702	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+Cl"	34.969402
"1274560"	662.125502	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Cl"	34.969402
"27321"	1291.260806	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M-2H+K"	36.948606
"456431"	1918.416906	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M-2H+K"	36.948606
"833100"	664.104706	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-2H+K"	36.948606
"1558335"	664.104706	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+K-2H"	36.948606
"949500"	672.154294	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-H+HCOOH"	44.998194
"364800"	1299.310401	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+HCOOH-H"	44.998201
"352694"	1313.326051	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+Hac-H"	59.013851
"1498246"	686.169951	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Hac-H"	59.013851
"967977"	694.136251	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-H+NaCOOH"	66.980151
"120165"	662.125502	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+2Cl"	69.938804
"553164"	975.703552	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+2Cl"	69.938804
"1034723"	348.547452	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2Cl"	69.938804
"1244824"	706.074985	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Br"	78.918885
"1314928"	708.130972	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Cl+HCOOH"	80.974872
"1324771"	730.112929	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Cl+NaCOOH"	102.956829
"918018"	740.141686	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M-H+CF3COOH"	112.985586
"1295822"	776.118364	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Cl+CF3COOH"	148.962264
"1376900"	592.143424	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H-2H2O"	-35.012676
"1388200"	610.1534	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H-H2O"	-17.0027
"295911"	1255.319476	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+H"	1.007276
"689792"	1882.475576	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+H"	1.007276
"1365048"	628.163376	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H"	1.007276
"136843"	628.163376	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+2H"	2.014552
"579320"	941.741426	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+2H"	2.014552
"1045564"	314.585326	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2H"	2.014552
"217479"	419.111342666667	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+3H"	3.021828
"650838"	628.163376	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+3H"	3.021828
"1166778"	210.059309333333	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+3H"	3.021828
"428954"	1272.346023	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+NH4"	18.033823
"789947"	1899.502123	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+NH4"	18.033823
"1690656"	645.189923	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+NH4"	18.033823
"334559"	636.6766495	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+H+NH4"	19.041099
"731356"	950.2546995	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+H+NH4"	19.041099
"1488093"	323.0985995	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H+NH4"	19.041099
"402763"	1277.301418	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+Na"	22.989218
"758291"	1904.457518	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+Na"	22.989218
"1607483"	650.145318	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Na"	22.989218
"324080"	639.154347	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+H+Na"	23.996494
"716501"	952.732397	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+H+Na"	23.996494
"1467041"	325.576297	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H+Na"	23.996494
"1065028"	217.386623333333	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2H+Na"	25.00377
"1267432"	660.189586	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+CH3OH+H"	33.033486
"386737"	1293.275358	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+K"	38.963158
"742630"	1920.431458	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+K"	38.963158
"1552351"	666.119258	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+K"	38.963158
"310255"	647.141317	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+H+K"	39.970434
"703769"	960.719367	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+H+K"	39.970434
"1459047"	333.563267	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H+K"	39.970434
"248742"	1296.346026	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+ACN+H"	42.033826
"1224005"	669.189926	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+ACN+H"	42.033826
"1209235"	335.098601	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+ACN+2H"	43.041102
"202835"	1299.28336	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+2Na-H"	44.97116
"641052"	1926.43946	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+2Na-H"	44.97116
"1145654"	672.12726	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2Na-H"	44.97116
"186025"	650.145318	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+2Na"	45.978436
"624860"	963.723368	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+2Na"	45.978436
"1122167"	336.567268	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2Na"	45.978436
"1405692"	224.713937333333	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H+2Na"	46.985712
"1435621"	674.168846	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H+HCOOH"	47.012746
"225316"	655.17834	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+3H2O+2H"	56.04448
"1517752"	688.22089	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+IsoProp+H"	61.06479
"420357"	658.132288	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+Na+K"	61.952376
"778434"	971.710338	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+Na+K"	61.952376
"1674772"	344.554238	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Na+K"	61.952376
"259105"	1318.327968	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+ACN+Na"	64.015768
"1237282"	691.171868	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+ACN+Na"	64.015768
"1727755"	691.195393	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+NH4+HCOOH"	64.039293
"1190065"	232.041251333333	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+3Na"	68.967654
"1658133"	696.150788	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Na+HCOOH"	68.994688
"164993"	1331.23124	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+2K-H"	76.91904
"605646"	1958.38734	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+2K-H"	76.91904
"1094532"	704.07514	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2K-H"	76.91904
"152441"	666.119258	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"2M+2K"	77.926316
"592005"	979.697308	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"3M+2K"	77.926316
"1079798"	352.541208	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2K"	77.926316
"1111912"	706.089692	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2K+H"	78.933592
"1350363"	706.177307	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+DMSO+H"	79.021207
"1021081"	710.216476	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2ACN+H"	83.060376
"1533860"	711.210108	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+IsoProp+Na+H"	84.054008
"994840"	355.611876	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+2ACN+2H"	84.067652
"1589708"	712.124728	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+K+HCOOH"	84.968628
"1418283"	742.156238	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+H+CF3COOH"	115.000138
"1150764"	376.125151	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+3ACN+2H"	125.094202
"1698129"	759.182785	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+NH4+CF3COOH"	132.026685
"1638154"	764.13818	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+Na+CF3COOH"	136.98208
"1585834"	780.11212	"C16312"	"Delphin;Delphinidin 35-diglucoside"	"C27H31O17"	"627.1561"	"M+K+CF3COOH"	152.95602
"815109"	789.1878	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M"	0
"985361"	770.16941	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-H2O-H"	-19.01839
"74697"	525.117924	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M-3H"	-3.021828
"515353"	788.180524	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M-3H"	-3.021828
"889874"	262.055324	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-3H"	-3.021828
"12823"	788.180524	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M-2H"	-2.014552
"454568"	1182.774424	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M-2H"	-2.014552
"830182"	393.586624	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-2H"	-2.014552
"86896"	1577.368324	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M-H"	-1.007276
"528642"	2366.556124	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M-H"	-1.007276
"908630"	788.180524	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-H"	-1.007276
"55352"	1594.394871	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M-2H+NH4"	16.019271
"498191"	2383.582671	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M-2H+NH4"	16.019271
"873807"	805.207071	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-2H+NH4"	16.019271
"42440"	1599.350266	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M-2H+Na"	20.974666
"485890"	2388.538066	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M-2H+Na"	20.974666
"861624"	810.162466	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-2H+Na"	20.974666
"1629338"	810.162466	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Na-2H"	20.974666
"99669"	806.168863	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M-H+Cl"	33.962126
"545790"	1200.762763	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M-H+Cl"	33.962126
"939306"	411.574963	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-H+Cl"	33.962126
"276769"	1613.345002	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+Cl"	34.969402
"670283"	2402.532802	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+Cl"	34.969402
"1280502"	824.157202	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Cl"	34.969402
"24151"	1615.324206	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M-2H+K"	36.948606
"455896"	2404.512006	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M-2H+K"	36.948606
"833984"	826.136406	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-2H+K"	36.948606
"1559540"	826.136406	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+K-2H"	36.948606
"952891"	834.185994	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-H+HCOOH"	44.998194
"372932"	1623.373801	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+HCOOH-H"	44.998201
"353899"	1637.389451	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+Hac-H"	59.013851
"1499450"	848.201651	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Hac-H"	59.013851
"968087"	856.167951	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-H+NaCOOH"	66.980151
"119183"	824.157202	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+2Cl"	69.938804
"558742"	1218.751102	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+2Cl"	69.938804
"1034833"	429.563302	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2Cl"	69.938804
"1246027"	868.106685	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Br"	78.918885
"1316131"	870.162672	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Cl+HCOOH"	80.974872
"1324881"	892.144629	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Cl+NaCOOH"	102.956829
"920315"	902.173386	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M-H+CF3COOH"	112.985586
"1294839"	938.150064	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Cl+CF3COOH"	148.962264
"1377374"	754.175124	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H-2H2O"	-35.012676
"1395601"	772.1851	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H-H2O"	-17.0027
"297477"	1579.382876	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+H"	1.007276
"688809"	2368.570676	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+H"	1.007276
"1366251"	790.195076	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H"	1.007276
"137315"	790.195076	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+2H"	2.014552
"578701"	1184.788976	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+2H"	2.014552
"1047497"	395.601176	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2H"	2.014552
"216128"	527.132476	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+3H"	3.021828
"653135"	790.195076	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+3H"	3.021828
"1169075"	264.069876	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+3H"	3.021828
"430159"	1596.409423	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+NH4"	18.033823
"788965"	2385.597223	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+NH4"	18.033823
"1690766"	807.221623	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+NH4"	18.033823
"334669"	798.7083495	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+H+NH4"	19.041099
"731466"	1193.3022495	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+H+NH4"	19.041099
"1488567"	404.1144495	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H+NH4"	19.041099
"405060"	1601.364818	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+Na"	22.989218
"758401"	2390.552618	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+Na"	22.989218
"1607593"	812.177018	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Na"	22.989218
"326744"	801.186047	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+H+Na"	23.996494
"721718"	1195.779947	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+H+Na"	23.996494
"1475175"	406.592147	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H+Na"	23.996494
"1067697"	271.39719	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2H+Na"	25.00377
"1268638"	822.221286	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+CH3OH+H"	33.033486
"389401"	1617.338758	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+K"	38.963158
"744928"	2406.526558	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+K"	38.963158
"1554651"	828.150958	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+K"	38.963158
"312552"	809.173017	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+H+K"	39.970434
"705338"	1203.766917	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+H+K"	39.970434
"1460495"	414.579117	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H+K"	39.970434
"250799"	1620.409426	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+ACN+H"	42.033826
"1224603"	831.221626	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+ACN+H"	42.033826
"1208367"	416.114451	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+ACN+2H"	43.041102
"201245"	1623.34676	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+2Na-H"	44.97116
"640069"	2412.53456	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+2Na-H"	44.97116
"1143942"	834.15896	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2Na-H"	44.97116
"186499"	812.177018	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+2Na"	45.978436
"625332"	1206.770918	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+2Na"	45.978436
"1117903"	417.583118	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2Na"	45.978436
"1401428"	278.724504	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H+2Na"	46.985712
"1434639"	836.200546	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H+HCOOH"	47.012746
"224334"	817.21004	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+3H2O+2H"	56.04448
"1517862"	850.25259	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+IsoProp+H"	61.06479
"416456"	820.163988	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+Na+K"	61.952376
"778544"	1214.757888	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+Na+K"	61.952376
"1672693"	425.570088	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Na+K"	61.952376
"264319"	1642.391368	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+ACN+Na"	64.015768
"1237392"	853.203568	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+ACN+Na"	64.015768
"1726646"	853.227093	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+NH4+HCOOH"	64.039293
"1186164"	286.051818	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+3Na"	68.967654
"1659336"	858.182488	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Na+HCOOH"	68.994688
"166197"	1655.29464	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+2K-H"	76.91904
"609037"	2444.48244	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+2K-H"	76.91904
"1095736"	866.10684	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2K-H"	76.91904
"152551"	828.150958	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"2M+2K"	77.926316
"596488"	1222.744858	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"3M+2K"	77.926316
"1083187"	433.557058	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2K"	77.926316
"1108745"	868.121392	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2K+H"	78.933592
"1344035"	868.209007	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+DMSO+H"	79.021207
"1019125"	872.248176	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2ACN+H"	83.060376
"1536157"	873.241808	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+IsoProp+Na+H"	84.054008
"993857"	436.627726	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+2ACN+2H"	84.067652
"1589453"	874.156428	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+K+HCOOH"	84.968628
"1418393"	904.187938	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+H+CF3COOH"	115.000138
"1149781"	457.141001	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+3ACN+2H"	125.094202
"1697631"	921.214485	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+NH4+CF3COOH"	132.026685
"1635105"	926.16988	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+Na+CF3COOH"	136.98208
"1585944"	942.14382	"C16313"	"Delphinidin 3-glucoside 5-caffoyl-glucoside"	"C36H37O20"	"789.1878"	"M+K+CF3COOH"	152.95602
"815219"	789.2089	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M"	0
"985471"	770.19051	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-H2O-H"	-19.01839
"74807"	525.131990666667	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M-3H"	-3.021828
"512183"	788.201624	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M-3H"	-3.021828
"889984"	262.062357333333	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-3H"	-3.021828
"12933"	788.201624	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M-2H"	-2.014552
"454678"	1182.806074	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M-2H"	-2.014552
"829928"	393.597174	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-2H"	-2.014552
"93447"	1577.410524	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M-H"	-1.007276
"528752"	2366.619424	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M-H"	-1.007276
"910079"	788.201624	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-H"	-1.007276
"55462"	1594.437071	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M-2H+NH4"	16.019271
"498301"	2383.645971	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M-2H+NH4"	16.019271
"878778"	805.228171	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-2H+NH4"	16.019271
"46999"	1599.392466	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M-2H+Na"	20.974666
"486123"	2388.601366	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M-2H+Na"	20.974666
"862462"	810.183566	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-2H+Na"	20.974666
"1631634"	810.183566	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Na-2H"	20.974666
"99779"	806.189963	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M-H+Cl"	33.962126
"544808"	1200.794413	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M-H+Cl"	33.962126
"938324"	411.585513	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-H+Cl"	33.962126
"276879"	1613.387202	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+Cl"	34.969402
"670393"	2402.596102	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+Cl"	34.969402
"1280612"	824.178302	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Cl"	34.969402
"24261"	1615.366406	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M-2H+K"	36.948606
"456654"	2404.575306	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M-2H+K"	36.948606
"833485"	826.157506	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-2H+K"	36.948606
"1559650"	826.157506	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+K-2H"	36.948606
"953002"	834.207094	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-H+HCOOH"	44.998194
"371949"	1623.416001	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+HCOOH-H"	44.998201
"352914"	1637.431651	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+Hac-H"	59.013851
"1501747"	848.222751	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Hac-H"	59.013851
"968197"	856.189051	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-H+NaCOOH"	66.980151
"121479"	824.178302	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+2Cl"	69.938804
"557758"	1218.782752	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+2Cl"	69.938804
"1030932"	429.573852	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2Cl"	69.938804
"1246137"	868.127785	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Br"	78.918885
"1314054"	870.183772	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Cl+HCOOH"	80.974872
"1320979"	892.165729	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Cl+NaCOOH"	102.956829
"916414"	902.194486	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M-H+CF3COOH"	112.985586
"1296039"	938.171164	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Cl+CF3COOH"	148.962264
"1374204"	754.196224	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H-2H2O"	-35.012676
"1395711"	772.2062	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H-H2O"	-17.0027
"297586"	1579.425076	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+H"	1.007276
"690013"	2368.633976	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+H"	1.007276
"1366726"	790.216176	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H"	1.007276
"138520"	790.216176	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+2H"	2.014552
"576623"	1184.820626	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+2H"	2.014552
"1047243"	395.611726	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2H"	2.014552
"215510"	527.146542666667	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+3H"	3.021828
"652152"	790.216176	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+3H"	3.021828
"1171372"	264.076909333333	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+3H"	3.021828
"431362"	1596.451623	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+NH4"	18.033823
"789075"	2385.660523	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+NH4"	18.033823
"1690877"	807.242723	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+NH4"	18.033823
"334779"	798.7294495	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+H+NH4"	19.041099
"730483"	1193.3338995	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+H+NH4"	19.041099
"1488677"	404.1249995	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H+NH4"	19.041099
"405170"	1601.407018	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+Na"	22.989218
"759604"	2390.615918	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+Na"	22.989218
"1608796"	812.198118	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Na"	22.989218
"327582"	801.207147	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+H+Na"	23.996494
"721463"	1195.811597	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+H+Na"	23.996494
"1475649"	406.602697	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H+Na"	23.996494
"1067928"	271.404223333333	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2H+Na"	25.00377
"1270572"	822.242386	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+CH3OH+H"	33.033486
"388417"	1617.380958	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+K"	38.963158
"743944"	2406.589858	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+K"	38.963158
"1543811"	828.172058	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+K"	38.963158
"314065"	809.194117	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+H+K"	39.970434
"705078"	1203.798567	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+H+K"	39.970434
"1460725"	414.589667	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H+K"	39.970434
"251151"	1620.451626	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+ACN+H"	42.033826
"1225245"	831.242726	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+ACN+H"	42.033826
"1209446"	416.125001	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+ACN+2H"	43.041102
"202448"	1623.38896	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+2Na-H"	44.97116
"641637"	2412.59786	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+2Na-H"	44.97116
"1144778"	834.18006	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2Na-H"	44.97116
"186244"	812.198118	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+2Na"	45.978436
"624348"	1206.802568	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+2Na"	45.978436
"1118013"	417.593668	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2Na"	45.978436
"1402631"	278.731537333333	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H+2Na"	46.985712
"1434749"	836.221646	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H+HCOOH"	47.012746
"226631"	817.23114	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+3H2O+2H"	56.04448
"1517972"	850.27369	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+IsoProp+H"	61.06479
"418753"	820.185088	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+Na+K"	61.952376
"778654"	1214.789538	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+Na+K"	61.952376
"1671712"	425.580638	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Na+K"	61.952376
"265403"	1642.433568	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+ACN+Na"	64.015768
"1238594"	853.224668	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+ACN+Na"	64.015768
"1727844"	853.248193	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+NH4+HCOOH"	64.039293
"1189554"	286.058851333333	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+3Na"	68.967654
"1658353"	858.203588	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Na+HCOOH"	68.994688
"164120"	1655.33684	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+2K-H"	76.91904
"605867"	2444.54574	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+2K-H"	76.91904
"1092564"	866.12794	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2K-H"	76.91904
"150475"	828.172058	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"2M+2K"	77.926316
"594412"	1222.776508	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"3M+2K"	77.926316
"1081110"	433.567608	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2K"	77.926316
"1113228"	868.142492	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2K+H"	78.933592
"1347425"	868.230107	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+DMSO+H"	79.021207
"1018141"	872.269276	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2ACN+H"	83.060376
"1534079"	873.262908	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+IsoProp+Na+H"	84.054008
"992507"	436.638276	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+2ACN+2H"	84.067652
"1588834"	874.177528	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+K+HCOOH"	84.968628
"1416316"	904.209038	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+H+CF3COOH"	115.000138
"1149891"	457.151551	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+3ACN+2H"	125.094202
"1700536"	921.235585	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+NH4+CF3COOH"	132.026685
"1638374"	926.19098	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+Na+CF3COOH"	136.98208
"1586054"	942.16492	"C16314"	"Delphinidin 353-triglucoside"	"C33H41O22"	"789.2089"	"M+K+CF3COOH"	152.95602
"815329"	611.1612	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M"	0
"985581"	592.14281	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-H2O-H"	-19.01839
"76010"	406.433524	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M-3H"	-3.021828
"513386"	610.153924	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M-3H"	-3.021828
"892281"	202.713124	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-3H"	-3.021828
"13042"	610.153924	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M-2H"	-2.014552
"452601"	915.734524	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M-2H"	-2.014552
"830402"	304.573324	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-2H"	-2.014552
"92581"	1221.315124	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M-H"	-1.007276
"531049"	1832.476324	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M-H"	-1.007276
"908850"	610.153924	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-H"	-1.007276
"56664"	1238.341671	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M-2H+NH4"	16.019271
"501449"	1849.502871	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M-2H+NH4"	16.019271
"874027"	627.180471	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-2H+NH4"	16.019271
"45938"	1243.297066	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M-2H+Na"	20.974666
"485499"	1854.458266	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M-2H+Na"	20.974666
"863909"	632.135866	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-2H+Na"	20.974666
"1629919"	632.135866	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Na-2H"	20.974666
"99887"	628.142263	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M-H+Cl"	33.962126
"542730"	933.722863	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M-H+Cl"	33.962126
"936247"	322.561663	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-H+Cl"	33.962126
"280997"	1257.291802	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+Cl"	34.969402
"670503"	1868.453002	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+Cl"	34.969402
"1280722"	646.130602	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Cl"	34.969402
"24371"	1259.271006	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M-2H+K"	36.948606
"457371"	1870.432206	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M-2H+K"	36.948606
"833838"	648.109806	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-2H+K"	36.948606
"1563040"	648.109806	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+K-2H"	36.948606
"954205"	656.159394	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-H+HCOOH"	44.998194
"373516"	1267.320601	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+HCOOH-H"	44.998201
"353024"	1281.336251	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+Hac-H"	59.013851
"1499670"	670.175051	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Hac-H"	59.013851
"965025"	678.141351	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-H+NaCOOH"	66.980151
"121589"	646.130602	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+2Cl"	69.938804
"557868"	951.711202	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+2Cl"	69.938804
"1029949"	340.550002	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2Cl"	69.938804
"1247341"	690.080085	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Br"	78.918885
"1315259"	692.136072	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Cl+HCOOH"	80.974872
"1324006"	714.118029	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Cl+NaCOOH"	102.956829
"912876"	724.146786	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M-H+CF3COOH"	112.985586
"1296149"	760.123464	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Cl+CF3COOH"	148.962264
"1371034"	576.148524	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H-2H2O"	-35.012676
"1387437"	594.1585	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H-H2O"	-17.0027
"295873"	1223.329676	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+H"	1.007276
"690851"	1834.490876	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+H"	1.007276
"1366595"	612.168476	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H"	1.007276
"138994"	612.168476	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+2H"	2.014552
"576732"	917.749076	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+2H"	2.014552
"1042614"	306.587876	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2H"	2.014552
"216349"	408.448076	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+3H"	3.021828
"651168"	612.168476	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+3H"	3.021828
"1170388"	204.727676	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+3H"	3.021828
"431472"	1240.356223	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+NH4"	18.033823
"790278"	1851.517423	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+NH4"	18.033823
"1685519"	629.195023	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+NH4"	18.033823
"338167"	620.6817495	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+H+NH4"	19.041099
"729496"	926.2623495	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+H+NH4"	19.041099
"1488787"	315.1011495	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H+NH4"	19.041099
"403093"	1245.311618	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+Na"	22.989218
"759714"	1856.472818	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+Na"	22.989218
"1611092"	634.150418	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Na"	22.989218
"328422"	623.159447	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+H+Na"	23.996494
"718656"	928.740047	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+H+Na"	23.996494
"1476690"	317.578847	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H+Na"	23.996494
"1065358"	212.05499	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2H+Na"	25.00377
"1272101"	644.194686	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+CH3OH+H"	33.033486
"386338"	1261.285558	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+K"	38.963158
"745147"	1872.446758	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+K"	38.963158
"1546107"	650.124358	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+K"	38.963158
"313499"	631.146417	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+H+K"	39.970434
"704095"	936.727017	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+H+K"	39.970434
"1461040"	325.565817	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H+K"	39.970434
"251184"	1264.356226	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+ACN+H"	42.033826
"1225069"	653.195026	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+ACN+H"	42.033826
"1209681"	327.101151	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+ACN+2H"	43.041102
"201097"	1267.29356	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+2Na-H"	44.97116
"642113"	1878.45476	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+2Na-H"	44.97116
"1144159"	656.13236	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2Na-H"	44.97116
"185625"	634.150418	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+2Na"	45.978436
"623366"	939.731018	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+2Na"	45.978436
"1127963"	328.569818	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2Na"	45.978436
"1404928"	219.382304	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H+2Na"	46.985712
"1437044"	658.173946	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H+HCOOH"	47.012746
"227834"	639.18344	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+3H2O+2H"	56.04448
"1520268"	672.22599	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+IsoProp+H"	61.06479
"418863"	642.137388	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+Na+K"	61.952376
"780950"	947.717988	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+Na+K"	61.952376
"1668541"	336.556788	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Na+K"	61.952376
"263444"	1286.338168	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+ACN+Na"	64.015768
"1239069"	675.176968	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+ACN+Na"	64.015768
"1726865"	675.200493	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+NH4+HCOOH"	64.039293
"1189664"	226.709618	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+3Na"	68.967654
"1655183"	680.155888	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Na+HCOOH"	68.994688
"168603"	1299.24144	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+2K-H"	76.91904
"607070"	1910.40264	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+2K-H"	76.91904
"1091581"	688.08024	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2K-H"	76.91904
"151679"	650.124358	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"2M+2K"	77.926316
"594520"	955.704958	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"3M+2K"	77.926316
"1079033"	344.543758	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2K"	77.926316
"1114556"	690.094792	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2K+H"	78.933592
"1350089"	690.182407	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+DMSO+H"	79.021207
"1018251"	694.221576	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2ACN+H"	83.060376
"1530909"	695.215208	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+IsoProp+Na+H"	84.054008
"992982"	347.614426	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+2ACN+2H"	84.067652
"1588944"	696.129828	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+K+HCOOH"	84.968628
"1416061"	726.161338	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+H+CF3COOH"	115.000138
"1150001"	368.127701	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+3ACN+2H"	125.094202
"1700646"	743.187885	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+NH4+CF3COOH"	132.026685
"1638484"	748.14328	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+Na+CF3COOH"	136.98208
"1582884"	764.11722	"C16315"	"Tulipanin;Delphinidin 3-O-rutinoside"	"C27H31O16"	"611.1612"	"M+K+CF3COOH"	152.95602
"816532"	294.2195	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M"	0
"983504"	275.20111	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"77944"	195.139057333333	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"512403"	293.212224	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"890204"	97.0658906666666	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"13152"	293.212224	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"452711"	440.321974	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"830515"	146.102474	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"92691"	587.431724	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"530065"	881.651224	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"904586"	293.212224	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"53493"	604.458271	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"498521"	898.677771	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"873043"	310.238771	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"44955"	609.413666	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"485609"	903.633166	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"861953"	315.194166	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1628936"	315.194166	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"101090"	311.200563	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"540653"	458.310313	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"936357"	164.090813	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"279285"	623.408402	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"670613"	917.627902	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1276821"	329.188902	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"22294"	625.387606	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"456632"	919.607106	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"833948"	331.168106	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1563150"	331.168106	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"953587"	339.217694	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"374720"	633.437201	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"353134"	647.452851	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1500873"	353.233351	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"965135"	361.199651	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"118418"	329.188902	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"556884"	476.298652	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1026779"	182.079152	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1248544"	373.138385	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1314275"	375.194372	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1322293"	397.176329	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"912134"	407.205086	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1296259"	443.181764	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1374423"	259.206824	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1390826"	277.2168	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"295983"	589.446276	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"690924"	883.665776	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1366215"	295.226776	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"140563"	295.226776	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"577207"	442.336526	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1046004"	148.117026	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"217917"	197.153609333333	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"650185"	295.226776	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1168312"	99.0804426666667	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"432675"	606.472823	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"790388"	900.692323	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1688908"	312.253323	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"339370"	303.7400495	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"730699"	450.8497995	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1488533"	156.6302995	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"403203"	611.428218	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"762010"	905.647718	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1610109"	317.208718	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"328168"	306.217747	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"718402"	453.327497	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1475868"	159.107997	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1064374"	106.407756666667	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1270063"	327.252986	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"386084"	627.402158	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"745257"	921.621658	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1544030"	333.182658	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"312758"	314.204717	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"702381"	461.314467	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1460095"	167.094967	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"250763"	630.472826	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1225460"	336.253326	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1209836"	168.630301	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"201925"	633.41016	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"641857"	927.62966	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1146816"	339.19066	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"186099"	317.208718	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"624569"	464.318468	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1129166"	170.098968	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1402850"	113.735070666667	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1436060"	341.232246	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"231223"	322.24174	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1521471"	355.28429	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"422252"	325.195688	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"782153"	472.305438	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1675211"	178.085938	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"264647"	652.454768	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1240518"	358.235268	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1728067"	358.258793	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1189774"	121.062384666667	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1655292"	363.214188	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"165434"	665.35804	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"608274"	959.57754	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1091691"	371.13854	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"155068"	333.182658	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"593537"	480.292408	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1079143"	186.072908	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1114419"	373.153092	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1345457"	373.240707	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1018361"	377.279876	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1528832"	378.273508	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"993092"	189.143576	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1589054"	379.188128	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1417630"	409.219638	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1150111"	209.656851	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1700756"	426.246185	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1638594"	431.20158	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1582994"	447.17552	"C16316"	"13(S)-HOT;(9Z11E15Z)-(13S)-Hydroxyoctadeca-91115-trienoate;(9Z11E15Z)-(13S)-13-Hydroxyoctadeca-91115-trienoic acid;(9Z11E13S15Z)-13-Hydroxyoctadeca-91115-trienoic acid;13(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"814456"	210.1256	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M"	0
"982521"	191.10721	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-H2O-H"	-19.01839
"76596"	139.076457333333	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M-3H"	-3.021828
"513607"	209.118324	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M-3H"	-3.021828
"893229"	69.0345906666667	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-3H"	-3.021828
"12898"	209.118324	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M-2H"	-2.014552
"454280"	314.181124	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M-2H"	-2.014552
"829530"	104.055524	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-2H"	-2.014552
"91586"	419.243924	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M-H"	-1.007276
"530175"	629.369524	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M-H"	-1.007276
"904696"	209.118324	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-H"	-1.007276
"55789"	436.270471	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M-2H+NH4"	16.019271
"498510"	646.396071	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M-2H+NH4"	16.019271
"875341"	226.144871	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-2H+NH4"	16.019271
"44701"	441.225866	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M-2H+Na"	20.974666
"485599"	651.351466	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M-2H+Na"	20.974666
"860605"	231.100266	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-2H+Na"	20.974666
"1626859"	231.100266	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Na-2H"	20.974666
"97920"	227.106663	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M-H+Cl"	33.962126
"541855"	332.169463	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M-H+Cl"	33.962126
"936467"	122.043863	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-H+Cl"	33.962126
"272833"	455.220602	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+Cl"	34.969402
"667443"	665.346202	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+Cl"	34.969402
"1277659"	245.095002	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Cl"	34.969402
"18030"	457.199806	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M-2H+K"	36.948606
"455931"	667.325406	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M-2H+K"	36.948606
"833330"	247.074206	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-2H+K"	36.948606
"1565446"	247.074206	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+K-2H"	36.948606
"947863"	255.123794	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-H+HCOOH"	44.998194
"367171"	465.249401	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+HCOOH-H"	44.998201
"349595"	479.265051	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+Hac-H"	59.013851
"1497701"	269.139451	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Hac-H"	59.013851
"961596"	277.105751	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-H+NaCOOH"	66.980151
"114152"	245.095002	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+2Cl"	69.938804
"558088"	350.157802	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+2Cl"	69.938804
"1023242"	140.032202	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2Cl"	69.938804
"1247561"	289.044485	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Br"	78.918885
"1314387"	291.100472	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Cl+HCOOH"	80.974872
"1324590"	313.082429	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Cl+NaCOOH"	102.956829
"911882"	323.111186	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M-H+CF3COOH"	112.985586
"1291994"	359.087864	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Cl+CF3COOH"	148.962264
"1374533"	175.112924	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H-2H2O"	-35.012676
"1388750"	193.1229	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H-H2O"	-17.0027
"296458"	421.258476	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+H"	1.007276
"690340"	631.384076	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+H"	1.007276
"1365593"	211.132876	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H"	1.007276
"140917"	211.132876	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+2H"	2.014552
"579504"	316.195676	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+2H"	2.014552
"1045020"	106.070076	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2H"	2.014552
"216204"	141.091009333333	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+3H"	3.021828
"649201"	211.132876	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+3H"	3.021828
"1168421"	71.0491426666667	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+3H"	3.021828
"429505"	438.285023	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+NH4"	18.033823
"790498"	648.410623	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+NH4"	18.033823
"1687925"	228.159423	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+NH4"	18.033823
"339480"	219.6461495	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+H+NH4"	19.041099
"730809"	324.7089495	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+H+NH4"	19.041099
"1484632"	114.5833495	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H+NH4"	19.041099
"404407"	443.240418	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+Na"	22.989218
"762121"	653.366018	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+Na"	22.989218
"1606939"	233.114818	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Na"	22.989218
"325726"	222.123847	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+H+Na"	23.996494
"718876"	327.186647	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+H+Na"	23.996494
"1475978"	117.061047	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H+Na"	23.996494
"1064848"	78.3764566666667	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2H+Na"	25.00377
"1271875"	243.159086	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+CH3OH+H"	33.033486
"392030"	459.214358	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+K"	38.963158
"748647"	669.339958	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+K"	38.963158
"1544140"	249.088758	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+K"	38.963158
"305693"	230.110817	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+H+K"	39.970434
"702491"	335.173617	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+H+K"	39.970434
"1458503"	125.048017	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H+K"	39.970434
"251074"	462.285026	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+ACN+H"	42.033826
"1223095"	252.159426	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+ACN+H"	42.033826
"1208436"	126.583351	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+ACN+2H"	43.041102
"202036"	465.22236	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+2Na-H"	44.97116
"643423"	675.34796	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+2Na-H"	44.97116
"1144375"	255.09676	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2Na-H"	44.97116
"185116"	233.114818	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+2Na"	45.978436
"624315"	338.177618	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+2Na"	45.978436
"1126725"	128.052018	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2Na"	45.978436
"1406241"	85.7037706666667	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H+2Na"	46.985712
"1431796"	257.138346	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H+HCOOH"	47.012746
"229146"	238.14784	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+3H2O+2H"	56.04448
"1520488"	271.19039	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+IsoProp+H"	61.06479
"421268"	241.101788	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+Na+K"	61.952376
"780076"	346.164588	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+Na+K"	61.952376
"1672041"	136.038988	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Na+K"	61.952376
"265485"	484.266968	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+ACN+Na"	64.015768
"1238559"	274.141368	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+ACN+Na"	64.015768
"1724529"	274.164893	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+NH4+HCOOH"	64.039293
"1187696"	93.0310846666667	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+3Na"	68.967654
"1654307"	279.120288	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Na+HCOOH"	68.994688
"165543"	497.17024	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+2K-H"	76.91904
"607290"	707.29584	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+2K-H"	76.91904
"1096174"	287.04464	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2K-H"	76.91904
"150805"	249.088758	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"2M+2K"	77.926316
"588179"	354.151558	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"3M+2K"	77.926316
"1075972"	144.025958	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2K"	77.926316
"1108089"	289.059192	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2K+H"	78.933592
"1341193"	289.146807	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+DMSO+H"	79.021207
"1013004"	293.185976	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2ACN+H"	83.060376
"1527849"	294.179608	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+IsoProp+Na+H"	84.054008
"992109"	147.096626	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+2ACN+2H"	84.067652
"1589529"	295.094228	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+K+HCOOH"	84.968628
"1419927"	325.125738	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+H+CF3COOH"	115.000138
"1150221"	167.609901	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+3ACN+2H"	125.094202
"1700866"	342.152285	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+NH4+CF3COOH"	132.026685
"1638704"	347.10768	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+Na+CF3COOH"	136.98208
"1583104"	363.08162	"C16317"	"()-7-Isojasmonic acid"	"C12H18O3"	"210.1256"	"M+K+CF3COOH"	152.95602
"815660"	224.1412	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M"	0
"987370"	205.12281	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-H2O-H"	-19.01839
"76706"	148.420190666667	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M-3H"	-3.021828
"516632"	223.133924	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M-3H"	-3.021828
"892610"	73.7064573333333	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-3H"	-3.021828
"13009"	223.133924	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M-2H"	-2.014552
"454155"	335.204524	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M-2H"	-2.014552
"832075"	111.063324	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-2H"	-2.014552
"93889"	447.275124	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M-H"	-1.007276
"532233"	671.416324	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M-H"	-1.007276
"909549"	223.133924	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-H"	-1.007276
"54806"	464.301671	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M-2H+NH4"	16.019271
"500200"	688.442871	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M-2H+NH4"	16.019271
"875449"	240.160471	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-2H+NH4"	16.019271
"44934"	469.257066	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M-2H+Na"	20.974666
"485832"	693.398266	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M-2H+Na"	20.974666
"860715"	245.115866	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-2H+Na"	20.974666
"1624783"	245.115866	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Na-2H"	20.974666
"98030"	241.122263	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M-H+Cl"	33.962126
"541966"	353.192863	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M-H+Cl"	33.962126
"932203"	129.051663	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-H+Cl"	33.962126
"277319"	483.251802	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+Cl"	34.969402
"670833"	707.393002	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+Cl"	34.969402
"1284331"	259.110602	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Cl"	34.969402
"18140"	485.231006	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M-2H+K"	36.948606
"457094"	709.372206	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M-2H+K"	36.948606
"833682"	261.089806	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-2H+K"	36.948606
"1567743"	261.089806	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+K-2H"	36.948606
"948336"	269.139394	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-H+HCOOH"	44.998194
"364729"	493.280601	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+HCOOH-H"	44.998201
"351164"	507.296251	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+Hac-H"	59.013851
"1497810"	283.155051	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Hac-H"	59.013851
"963166"	291.121351	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-H+NaCOOH"	66.980151
"114262"	259.110602	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+2Cl"	69.938804
"559292"	371.181202	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+2Cl"	69.938804
"1022259"	147.040002	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2Cl"	69.938804
"1247671"	303.060085	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Br"	78.918885
"1312306"	305.116072	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Cl+HCOOH"	80.974872
"1323242"	327.098029	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Cl+NaCOOH"	102.956829
"913572"	337.126786	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M-H+CF3COOH"	112.985586
"1293562"	373.103464	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Cl+CF3COOH"	148.962264
"1374643"	189.128524	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H-2H2O"	-35.012676
"1387767"	207.1385	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H-H2O"	-17.0027
"298026"	449.289676	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+H"	1.007276
"690940"	673.430876	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+H"	1.007276
"1365339"	225.148476	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H"	1.007276
"141027"	225.148476	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+2H"	2.014552
"578520"	337.219076	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+2H"	2.014552
"1052426"	113.077876	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2H"	2.014552
"219839"	150.434742666667	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+3H"	3.021828
"654779"	225.148476	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+3H"	3.021828
"1170719"	75.7210093333333	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+3H"	3.021828
"435083"	466.316223	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+NH4"	18.033823
"796076"	690.457423	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+NH4"	18.033823
"1686942"	242.175023	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+NH4"	18.033823
"339591"	233.6617495	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+H+NH4"	19.041099
"729827"	345.7323495	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+H+NH4"	19.041099
"1486928"	121.5911495	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H+NH4"	19.041099
"403424"	471.271618	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+Na"	22.989218
"766242"	695.412818	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+Na"	22.989218
"1611422"	247.130418	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Na"	22.989218
"325836"	236.139447	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+H+Na"	23.996494
"718258"	348.210047	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+H+Na"	23.996494
"1476088"	124.068847	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H+Na"	23.996494
"1065687"	83.0483233333333	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2H+Na"	25.00377
"1270647"	257.174686	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+CH3OH+H"	33.033486
"391901"	487.245558	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+K"	38.963158
"750216"	711.386758	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+K"	38.963158
"1548260"	263.104358	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+K"	38.963158
"305803"	244.126417	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+H+K"	39.970434
"706619"	356.197017	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+H+K"	39.970434
"1460194"	132.055817	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H+K"	39.970434
"250862"	490.316226	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+ACN+H"	42.033826
"1223205"	266.175026	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+ACN+H"	42.033826
"1209400"	133.591151	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+ACN+2H"	43.041102
"203729"	493.25356	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+2Na-H"	44.97116
"641713"	717.39476	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+2Na-H"	44.97116
"1145217"	269.11236	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2Na-H"	44.97116
"184498"	247.130418	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+2Na"	45.978436
"622601"	359.201018	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+2Na"	45.978436
"1126835"	135.059818	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2Na"	45.978436
"1405257"	90.3756373333333	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H+2Na"	46.985712
"1431906"	271.153946	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H+HCOOH"	47.012746
"229256"	252.16344	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+3H2O+2H"	56.04448
"1521327"	285.20599	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+IsoProp+H"	61.06479
"421378"	255.117388	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+Na+K"	61.952376
"779822"	367.187988	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+Na+K"	61.952376
"1671058"	143.046788	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Na+K"	61.952376
"263408"	512.298168	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+ACN+Na"	64.015768
"1239035"	288.156968	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+ACN+Na"	64.015768
"1724639"	288.180493	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+NH4+HCOOH"	64.039293
"1191085"	97.7029513333333	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+3Na"	68.967654
"1657697"	293.135888	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Na+HCOOH"	68.994688
"168933"	525.20144	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+2K-H"	76.91904
"607400"	749.34264	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+2K-H"	76.91904
"1095190"	301.06024	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2K-H"	76.91904
"150914"	263.104358	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"2M+2K"	77.926316
"591569"	375.174958	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"3M+2K"	77.926316
"1079362"	151.033758	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2K"	77.926316
"1111479"	303.074792	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2K+H"	78.933592
"1344583"	303.162407	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+DMSO+H"	79.021207
"1015300"	307.201576	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2ACN+H"	83.060376
"1531239"	308.195208	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+IsoProp+Na+H"	84.054008
"994407"	154.104426	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+2ACN+2H"	84.067652
"1595471"	309.109828	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+K+HCOOH"	84.968628
"1422224"	339.141338	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+H+CF3COOH"	115.000138
"1150331"	174.617701	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+3ACN+2H"	125.094202
"1702069"	356.167885	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+NH4+CF3COOH"	132.026685
"1638814"	361.12328	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+Na+CF3COOH"	136.98208
"1583214"	377.09722	"C16318"	"()-7-Isomethyljasmonate"	"C13H20O3"	"224.1412"	"M+K+CF3COOH"	152.95602
"815769"	292.2038	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M"	0
"987117"	273.18541	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"75358"	193.795257333333	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"513827"	291.196524	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"893088"	96.3939906666667	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"13484"	291.196524	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"454507"	437.298424	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"832062"	145.094624	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"92538"	583.400324	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"532219"	875.604124	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"910399"	291.196524	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"61480"	600.426871	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"501901"	892.630671	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"878968"	308.223071	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"46018"	605.382266	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"485213"	897.586066	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"863748"	313.178466	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1630360"	313.178466	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"98141"	309.184863	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"538796"	455.286763	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"934499"	163.082963	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"277429"	619.377002	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"670945"	911.580802	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1286631"	327.173202	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"21530"	621.356206	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"457204"	913.560006	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"842178"	329.152406	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1563481"	329.152406	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"951363"	337.201994	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"367392"	629.405801	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"347629"	643.421451	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1496828"	351.217651	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"963278"	359.183951	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"113643"	327.173202	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"558311"	473.275102	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1026015"	181.071302	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1249969"	371.122685	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1313513"	373.178672	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1324445"	395.160629	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"916598"	405.189386	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1292580"	441.166064	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1372566"	257.191124	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1387875"	275.2011	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"293031"	585.414876	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"686548"	877.618676	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1363261"	293.211076	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"138703"	293.211076	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"580331"	439.312976	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1051438"	147.109176	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"217882"	195.809809333333	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"655619"	293.211076	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1173016"	98.4085426666667	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"429727"	602.441423	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"796186"	894.645223	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1691423"	310.237623	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"337515"	301.7243495	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"733217"	447.8262495	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1488133"	155.6224495	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"403534"	607.396818	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"764531"	899.600618	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1614450"	315.193018	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"325942"	304.202047	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"720189"	450.303947	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1473646"	158.100147	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1067619"	105.735856666667	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1272702"	325.237286	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"392459"	623.370758	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"751784"	915.574558	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1549466"	331.166958	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"305910"	312.189017	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"700886"	458.290917	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1460795"	166.087117	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"249883"	626.441426	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1222952"	334.237626	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1209023"	167.622451	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"202626"	629.37876	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"641459"	921.58256	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1144598"	337.17496	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"185705"	315.193018	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"624898"	461.294918	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1128408"	169.091118	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1402087"	113.063170666667	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1434929"	339.216546	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"226084"	320.22604	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1518521"	353.26859	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"420397"	323.179988	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"776652"	469.281888	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1671529"	177.078088	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"260602"	648.423368	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1239143"	356.219568	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1726815"	356.243093	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1190832"	120.390484666667	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1659994"	361.198488	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"169043"	661.32664	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"610790"	953.53044	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1095301"	369.12284	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"153212"	331.166958	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"591679"	477.268858	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1076192"	185.065058	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1114143"	371.137392	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1349067"	371.225007	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1019542"	375.264176	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1537910"	376.257808	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"1001079"	188.135726	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1596675"	377.172428	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1424521"	407.203938	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1150441"	208.649001	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1698899"	424.230485	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1635644"	429.18588	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1583324"	445.15982	"C16319"	"Etherolenic acid;(9Z11E1E3Z)-12-(13-Hexadienyloxy)-911-dodecadienoic acid"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"815879"	292.2038	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M"	0
"982851"	273.18541	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"73279"	193.795257333333	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"515031"	291.196524	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"891738"	96.3939906666667	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"15416"	291.196524	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"455645"	437.298424	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"832620"	145.094624	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"90946"	583.400324	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"531599"	875.604124	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"911105"	291.196524	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"62074"	600.426871	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"502700"	892.630671	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"878951"	308.223071	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"45761"	605.382266	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"480948"	897.586066	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"862030"	313.178466	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1628283"	313.178466	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"97522"	309.184863	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"538906"	455.286763	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"936797"	163.082963	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"274259"	619.377002	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"671055"	911.580802	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1284553"	327.173202	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"28201"	621.356206	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"459017"	913.560006	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"840100"	329.152406	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1563591"	329.152406	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"948193"	337.201994	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"366408"	629.405801	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"348103"	643.421451	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1496207"	351.217651	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"963388"	359.183951	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"113753"	327.173202	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"558421"	473.275102	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1025396"	181.071302	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1245339"	371.122685	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1313623"	373.178672	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1328932"	395.160629	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"914886"	405.189386	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1292324"	441.166064	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1368297"	257.191124	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1391996"	275.2011	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"290953"	585.414876	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"684470"	877.618676	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1357538"	293.211076	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"135166"	293.211076	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"577645"	439.312976	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1049726"	147.109176	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"217992"	195.809809333333	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"657916"	293.211076	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1170938"	98.4085426666667	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"432023"	602.441423	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"795203"	894.645223	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1693722"	310.237623	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"335439"	301.7243495	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"734786"	447.8262495	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1490066"	155.6224495	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"405467"	607.396818	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"765734"	899.600618	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1615289"	315.193018	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"326052"	304.202047	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"721756"	450.303947	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1475942"	158.100147	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1067364"	105.735856666667	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1272331"	325.237286	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"392526"	623.370758	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"751166"	915.574558	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1547753"	331.166958	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"303835"	312.189017	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"700631"	458.290917	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1459922"	166.087117	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"251165"	626.441426	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1225249"	334.237626	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1209376"	167.622451	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"203831"	629.37876	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"643508"	921.58256	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1145798"	337.17496	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"185084"	315.193018	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"626467"	461.294918	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1127421"	169.091118	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1404384"	113.063170666667	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1437594"	339.216546	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"227289"	320.22604	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1514258"	353.26859	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"420507"	323.179988	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"777126"	469.281888	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1674922"	177.078088	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"259254"	648.423368	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1236338"	356.219568	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1726318"	356.243093	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1187663"	120.390484666667	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1660104"	361.198488	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"172071"	661.32664	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"611872"	953.53044	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1095411"	369.12284	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"153322"	331.166958	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"591789"	477.268858	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1076302"	185.065058	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1114737"	371.137392	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1346990"	371.225007	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1018801"	375.264176	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1538020"	376.257808	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"1001189"	188.135726	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1595692"	377.172428	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1424631"	407.203938	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1153831"	208.649001	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1702289"	424.230485	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1635754"	429.18588	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1583434"	445.15982	"C16320"	"Colnelenic acid;(8E)-9-(1E3Z6Z)-Nona-136-trien-1-yloxynon-8-enoate"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"815625"	310.2144	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M"	0
"982961"	291.19601	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-H2O-H"	-19.01839
"77764"	205.802324	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M-3H"	-3.021828
"516601"	309.207124	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M-3H"	-3.021828
"894038"	102.397524	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-3H"	-3.021828
"14437"	309.207124	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M-2H"	-2.014552
"454969"	464.314324	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M-2H"	-2.014552
"832407"	154.099924	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-2H"	-2.014552
"92881"	619.421524	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M-H"	-1.007276
"532198"	929.635924	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M-H"	-1.007276
"911094"	309.207124	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-H"	-1.007276
"61943"	636.448071	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M-2H+NH4"	16.019271
"501991"	946.662471	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M-2H+NH4"	16.019271
"875782"	326.233671	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-2H+NH4"	16.019271
"46358"	641.403466	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M-2H+Na"	20.974666
"484947"	951.617866	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M-2H+Na"	20.974666
"859953"	331.189066	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-2H+Na"	20.974666
"1628394"	331.189066	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Na-2H"	20.974666
"98362"	327.195463	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M-H+Cl"	33.962126
"545576"	482.302663	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M-H+Cl"	33.962126
"939093"	172.088263	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-H+Cl"	33.962126
"277649"	655.398202	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+Cl"	34.969402
"674081"	965.612602	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+Cl"	34.969402
"1284663"	345.183802	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Cl"	34.969402
"28311"	657.377406	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M-2H+K"	36.948606
"462407"	967.591806	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M-2H+K"	36.948606
"843492"	347.163006	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-2H+K"	36.948606
"1557141"	347.163006	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+K-2H"	36.948606
"948303"	355.212594	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-H+HCOOH"	44.998194
"369798"	665.427001	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+HCOOH-H"	44.998201
"354775"	679.442651	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+Hac-H"	59.013851
"1501419"	369.228251	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Hac-H"	59.013851
"961307"	377.194551	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-H+NaCOOH"	66.980151
"114957"	345.183802	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+2Cl"	69.938804
"551599"	500.291002	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+2Cl"	69.938804
"1028423"	190.076602	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2Cl"	69.938804
"1251283"	389.133285	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Br"	78.918885
"1310454"	391.189272	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Cl+HCOOH"	80.974872
"1326857"	413.171229	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Cl+NaCOOH"	102.956829
"919007"	423.199986	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M-H+CF3COOH"	112.985586
"1293527"	459.176664	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Cl+CF3COOH"	148.962264
"1368771"	275.201724	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H-2H2O"	-35.012676
"1390283"	293.2117	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H-H2O"	-17.0027
"292160"	621.436076	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+H"	1.007276
"687862"	931.650476	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+H"	1.007276
"1364576"	311.221676	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H"	1.007276
"137101"	311.221676	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+2H"	2.014552
"577027"	466.328876	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+2H"	2.014552
"1045097"	156.114476	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2H"	2.014552
"218102"	207.816876	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+3H"	3.021828
"656933"	311.221676	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+3H"	3.021828
"1171049"	104.412076	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+3H"	3.021828
"434319"	638.462623	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+NH4"	18.033823
"789848"	948.677023	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+NH4"	18.033823
"1689459"	328.248223	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+NH4"	18.033823
"342110"	319.7349495	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+H+NH4"	19.041099
"733437"	474.8421495	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+H+NH4"	19.041099
"1487261"	164.6277495	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H+NH4"	19.041099
"403756"	643.418018	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+Na"	22.989218
"769126"	953.632418	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+Na"	22.989218
"1611754"	333.203618	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Na"	22.989218
"323976"	322.212647	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+H+Na"	23.996494
"721380"	477.319847	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+H+Na"	23.996494
"1475323"	167.105447	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H+Na"	23.996494
"1063463"	111.73939	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2H+Na"	25.00377
"1270611"	343.247886	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+CH3OH+H"	33.033486
"391740"	659.391958	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+K"	38.963158
"747997"	969.606358	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+K"	38.963158
"1550051"	349.177558	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+K"	38.963158
"307227"	330.199617	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+H+K"	39.970434
"702566"	485.306817	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+H+K"	39.970434
"1460763"	175.092417	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H+K"	39.970434
"250461"	662.462626	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+ACN+H"	42.033826
"1222442"	352.248226	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+ACN+H"	42.033826
"1208880"	176.627751	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+ACN+2H"	43.041102
"203452"	665.39996	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+2Na-H"	44.97116
"643132"	975.61436	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+2Na-H"	44.97116
"1143357"	355.18556	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2Na-H"	44.97116
"184830"	333.203618	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+2Na"	45.978436
"625850"	488.310818	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+2Na"	45.978436
"1127165"	178.096418	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2Na"	45.978436
"1403401"	119.066704	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H+2Na"	46.985712
"1437704"	357.227146	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H+HCOOH"	47.012746
"228493"	338.23664	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+3H2O+2H"	56.04448
"1515462"	371.27919	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+H"	61.06479
"420252"	341.190588	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+Na+K"	61.952376
"777236"	496.297788	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+Na+K"	61.952376
"1678312"	186.083388	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Na+K"	61.952376
"266414"	684.444568	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+ACN+Na"	64.015768
"1238999"	374.230168	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+ACN+Na"	64.015768
"1725699"	374.253693	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+NH4+HCOOH"	64.039293
"1191419"	126.394018	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+3Na"	68.967654
"1664590"	379.209088	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Na+HCOOH"	68.994688
"169265"	697.34784	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+2K-H"	76.91904
"608827"	1007.56224	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+2K-H"	76.91904
"1091148"	387.13344	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2K-H"	76.91904
"149059"	349.177558	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"2M+2K"	77.926316
"589713"	504.284758	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"3M+2K"	77.926316
"1082974"	194.070358	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2K"	77.926316
"1111809"	389.147992	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2K+H"	78.933592
"1347100"	389.235607	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+DMSO+H"	79.021207
"1017818"	393.274776	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2ACN+H"	83.060376
"1537037"	394.268408	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+Na+H"	84.054008
"1001299"	197.141026	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+2ACN+2H"	84.067652
"1597989"	395.183028	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+K+HCOOH"	84.968628
"1428022"	425.214538	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+H+CF3COOH"	115.000138
"1149929"	217.654301	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+3ACN+2H"	125.094202
"1701306"	442.241085	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+NH4+CF3COOH"	132.026685
"1635863"	447.19648	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+Na+CF3COOH"	136.98208
"1583544"	463.17042	"C16321"	"9(S)-HPOT;(10E12Z15Z)-(9S)-9-Hydroperoxyoctadeca-101215-trienoic acid;9(S)-HpOTrE;(9S10E12Z15Z)-9-Hydroperoxy-101215-octadecatrienoate"	"C18H30O4"	"310.2144"	"M+K+CF3COOH"	152.95602
"815737"	172.1099	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M"	0
"983071"	153.09151	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-H2O-H"	-19.01839
"76782"	113.732657333333	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M-3H"	-3.021828
"516347"	171.102624	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M-3H"	-3.021828
"893052"	56.3626906666667	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-3H"	-3.021828
"13450"	171.102624	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M-2H"	-2.014552
"454714"	257.157574	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M-2H"	-2.014552
"831869"	85.047674	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-2H"	-2.014552
"92262"	343.212524	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M-H"	-1.007276
"533523"	515.322424	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M-H"	-1.007276
"911044"	171.102624	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-H"	-1.007276
"62176"	360.239071	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M-2H+NH4"	16.019271
"501127"	532.348971	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M-2H+NH4"	16.019271
"878808"	188.129171	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-2H+NH4"	16.019271
"46103"	365.194466	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M-2H+Na"	20.974666
"481895"	537.304366	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M-2H+Na"	20.974666
"861156"	193.084566	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-2H+Na"	20.974666
"1630691"	193.084566	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Na-2H"	20.974666
"96285"	189.090963	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M-H+Cl"	33.962126
"539126"	275.145913	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M-H+Cl"	33.962126
"937017"	103.036013	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-H+Cl"	33.962126
"277759"	379.189202	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+Cl"	34.969402
"671275"	551.299102	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+Cl"	34.969402
"1284772"	207.079302	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Cl"	34.969402
"28057"	381.168406	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M-2H+K"	36.948606
"464705"	553.278306	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M-2H+K"	36.948606
"843602"	209.058506	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-2H+K"	36.948606
"1563811"	209.058506	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+K-2H"	36.948606
"951693"	217.108094	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-H+HCOOH"	44.998194
"368814"	389.218001	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+HCOOH-H"	44.998201
"354885"	403.233651	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+Hac-H"	59.013851
"1500435"	231.123751	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Hac-H"	59.013851
"963606"	239.090051	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-H+NaCOOH"	66.980151
"116890"	207.079302	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+2Cl"	69.938804
"553168"	293.134252	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+2Cl"	69.938804
"1034731"	121.024352	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2Cl"	69.938804
"1249207"	251.028785	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Br"	78.918885
"1312750"	253.084772	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Cl+HCOOH"	80.974872
"1326967"	275.066729	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Cl+NaCOOH"	102.956829
"921303"	285.095486	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M-H+CF3COOH"	112.985586
"1302387"	321.072164	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Cl+CF3COOH"	148.962264
"1368881"	137.097224	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H-2H2O"	-35.012676
"1384925"	155.1072	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H-H2O"	-17.0027
"292633"	345.227076	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+H"	1.007276
"690526"	517.336976	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+H"	1.007276
"1366024"	173.117176	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H"	1.007276
"139399"	173.117176	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+2H"	2.014552
"577866"	259.172126	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+2H"	2.014552
"1049217"	87.062226	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2H"	2.014552
"217119"	115.747209333333	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+3H"	3.021828
"657042"	173.117176	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+3H"	3.021828
"1172253"	58.3772426666667	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+3H"	3.021828
"436253"	362.253623	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+NH4"	18.033823
"789958"	534.363523	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+NH4"	18.033823
"1688476"	190.143723	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+NH4"	18.033823
"340399"	181.6304495	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+H+NH4"	19.041099
"732819"	267.6853995	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+H+NH4"	19.041099
"1488100"	95.5754995	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H+NH4"	19.041099
"406782"	367.209018	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+Na"	22.989218
"766685"	539.318918	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+Na"	22.989218
"1612593"	195.099118	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Na"	22.989218
"323722"	184.108147	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+H+Na"	23.996494
"719062"	270.163097	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+H+Na"	23.996494
"1471790"	98.053197	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H+Na"	23.996494
"1063573"	65.7045566666667	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2H+Na"	25.00377
"1269627"	205.143386	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+CH3OH+H"	33.033486
"390637"	383.182958	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+K"	38.963158
"748474"	555.292858	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+K"	38.963158
"1550528"	211.073058	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+K"	38.963158
"310620"	192.095117	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+H+K"	39.970434
"707019"	278.150067	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+H+K"	39.970434
"1461078"	106.040167	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H+K"	39.970434
"250697"	386.253626	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+ACN+H"	42.033826
"1225104"	214.143726	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+ACN+H"	42.033826
"1207165"	107.575501	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+ACN+2H"	43.041102
"201494"	389.19096	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+2Na-H"	44.97116
"643366"	561.30086	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+2Na-H"	44.97116
"1143467"	217.08106	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2Na-H"	44.97116
"185303"	195.099118	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+2Na"	45.978436
"626324"	281.154068	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+2Na"	45.978436
"1127276"	109.044168	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2Na"	45.978436
"1405698"	73.0318706666667	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H+2Na"	46.985712
"1437814"	219.122646	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H+HCOOH"	47.012746
"226416"	200.13214	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+3H2O+2H"	56.04448
"1516665"	233.17469	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+IsoProp+H"	61.06479
"418539"	203.086088	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+Na+K"	61.952376
"774066"	289.141038	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+Na+K"	61.952376
"1680611"	117.031138	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Na+K"	61.952376
"266159"	408.235568	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+ACN+Na"	64.015768
"1241138"	236.125668	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+ACN+Na"	64.015768
"1726538"	236.149193	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+NH4+HCOOH"	64.039293
"1191529"	80.3591846666667	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+3Na"	68.967654
"1665066"	241.104588	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Na+HCOOH"	68.994688
"171199"	421.13884	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+2K-H"	76.91904
"610030"	593.24874	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+2K-H"	76.91904
"1097699"	249.02894	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2K-H"	76.91904
"150262"	211.073058	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"2M+2K"	77.926316
"589823"	297.128008	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"3M+2K"	77.926316
"1082599"	125.018108	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2K"	77.926316
"1111919"	251.043492	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2K+H"	78.933592
"1345024"	251.131107	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+DMSO+H"	79.021207
"1017928"	255.170276	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2ACN+H"	83.060376
"1533867"	256.163908	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+IsoProp+Na+H"	84.054008
"1001409"	128.088776	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+2ACN+2H"	84.067652
"1599193"	257.078528	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+K+HCOOH"	84.968628
"1428132"	287.110038	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+H+CF3COOH"	115.000138
"1154051"	148.602051	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+3ACN+2H"	125.094202
"1700320"	304.136585	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+NH4+CF3COOH"	132.026685
"1635973"	309.09198	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+Na+CF3COOH"	136.98208
"1583654"	325.06592	"C16322"	"9-Oxononanoic acid"	"C9H16O3"	"172.1099"	"M+K+CF3COOH"	152.95602
"810742"	138.1045	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M"	0
"980993"	119.08611	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-H2O-H"	-19.01839
"70329"	91.0623906666667	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M-3H"	-3.021828
"516454"	137.097224	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M-3H"	-3.021828
"893525"	45.0275573333333	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-3H"	-3.021828
"11737"	137.097224	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M-2H"	-2.014552
"453124"	206.149474	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M-2H"	-2.014552
"831409"	68.044974	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-2H"	-2.014552
"90186"	275.201724	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M-H"	-1.007276
"532176"	413.306224	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M-H"	-1.007276
"908277"	137.097224	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-H"	-1.007276
"61070"	292.228271	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M-2H+NH4"	16.019271
"499292"	430.332771	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M-2H+NH4"	16.019271
"878553"	154.123771	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-2H+NH4"	16.019271
"39165"	297.183666	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M-2H+Na"	20.974666
"480910"	435.288166	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M-2H+Na"	20.974666
"852518"	159.079166	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-2H+Na"	20.974666
"1618813"	159.079166	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Na-2H"	20.974666
"94727"	155.085563	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M-H+Cl"	33.962126
"534490"	224.137813	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M-H+Cl"	33.962126
"928740"	86.033313	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-H+Cl"	33.962126
"267130"	311.178402	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+Cl"	34.969402
"660560"	449.282902	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+Cl"	34.969402
"1276133"	173.073902	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Cl"	34.969402
"15967"	313.157606	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M-2H+K"	36.948606
"461535"	451.262106	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M-2H+K"	36.948606
"843712"	175.053106	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-2H+K"	36.948606
"1563921"	175.053106	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+K-2H"	36.948606
"948523"	183.102694	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-H+HCOOH"	44.998194
"366738"	321.207201	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+HCOOH-H"	44.998201
"354995"	335.222851	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+Hac-H"	59.013851
"1500545"	197.118351	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Hac-H"	59.013851
"963716"	205.084651	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-H+NaCOOH"	66.980151
"112989"	173.073902	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+2Cl"	69.938804
"550725"	242.126152	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+2Cl"	69.938804
"1025728"	104.021652	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2Cl"	69.938804
"1246037"	217.023385	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Br"	78.918885
"1316139"	219.079372	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Cl+HCOOH"	80.974872
"1325252"	241.061329	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Cl+NaCOOH"	102.956829
"917040"	251.090086	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M-H+CF3COOH"	112.985586
"1294842"	287.066764	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Cl+CF3COOH"	148.962264
"1368629"	103.091824	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H-2H2O"	-35.012676
"1386128"	121.1018	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H-H2O"	-17.0027
"294200"	277.216276	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+H"	1.007276
"689542"	415.320776	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+H"	1.007276
"1365162"	139.111776	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H"	1.007276
"139996"	139.111776	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+2H"	2.014552
"577247"	208.164026	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+2H"	2.014552
"1048598"	70.059526	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2H"	2.014552
"216136"	93.0769426666667	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+3H"	3.021828
"657517"	139.111776	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+3H"	3.021828
"1172363"	47.0421093333333	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+3H"	3.021828
"437092"	294.242823	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+NH4"	18.033823
"788975"	432.347323	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+NH4"	18.033823
"1688586"	156.138323	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+NH4"	18.033823
"340509"	147.6250495	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+H+NH4"	19.041099
"732564"	216.6772995	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+H+NH4"	19.041099
"1489667"	78.5727995	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H+NH4"	19.041099
"405069"	299.198218	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+Na"	22.989218
"766795"	437.302718	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+Na"	22.989218
"1613796"	161.093718	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Na"	22.989218
"324925"	150.102747	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+H+Na"	23.996494
"719900"	219.154997	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+H+Na"	23.996494
"1473357"	81.050497	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H+Na"	23.996494
"1063683"	54.3694233333333	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2H+Na"	25.00377
"1270466"	171.137986	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+CH3OH+H"	33.033486
"390748"	315.172158	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+K"	38.963158
"748218"	453.276658	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+K"	38.963158
"1550638"	177.067658	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+K"	38.963158
"310730"	158.089717	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+H+K"	39.970434
"705339"	227.141967	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+H+K"	39.970434
"1459159"	89.037467	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H+K"	39.970434
"249588"	318.242826	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+ACN+H"	42.033826
"1223389"	180.138326	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+ACN+H"	42.033826
"1205450"	90.572801	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+ACN+2H"	43.041102
"198323"	321.18016	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+2Na-H"	44.97116
"641165"	459.28466	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+2Na-H"	44.97116
"1140298"	183.07566	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2Na-H"	44.97116
"183591"	161.093718	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+2Na"	45.978436
"624247"	230.145968	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+2Na"	45.978436
"1123377"	92.041468	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2Na"	45.978436
"1407995"	61.6967373333333	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H+2Na"	46.985712
"1435738"	185.117246	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H+HCOOH"	47.012746
"227621"	166.12674	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+3H2O+2H"	56.04448
"1510215"	199.16929	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+IsoProp+H"	61.06479
"418649"	169.080688	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+Na+K"	61.952376
"771989"	238.132938	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+Na+K"	61.952376
"1680479"	100.028438	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Na+K"	61.952376
"263959"	340.224768	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+ACN+Na"	64.015768
"1239829"	202.120268	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+ACN+Na"	64.015768
"1724097"	202.143793	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+NH4+HCOOH"	64.039293
"1190546"	69.0240513333333	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+3Na"	68.967654
"1664690"	207.099188	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Na+HCOOH"	68.994688
"164018"	353.12804	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+2K-H"	76.91904
"607952"	491.23254	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+2K-H"	76.91904
"1095743"	215.02354	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2K-H"	76.91904
"149279"	177.067658	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"2M+2K"	77.926316
"589933"	246.119908	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"3M+2K"	77.926316
"1082952"	108.015408	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2K"	77.926316
"1108749"	217.038092	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2K+H"	78.933592
"1345134"	217.125707	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+DMSO+H"	79.021207
"1014758"	221.164876	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2ACN+H"	83.060376
"1528510"	222.158508	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+IsoProp+Na+H"	84.054008
"1001519"	111.086076	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+2ACN+2H"	84.067652
"1599303"	223.073128	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+K+HCOOH"	84.968628
"1420588"	253.104638	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+H+CF3COOH"	115.000138
"1147601"	131.599351	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+3ACN+2H"	125.094202
"1697878"	270.131185	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+NH4+CF3COOH"	132.026685
"1636082"	275.08658	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+Na+CF3COOH"	136.98208
"1583764"	291.06052	"C16323"	"36-Nonadienal"	"C9H14O"	"138.1045"	"M+K+CF3COOH"	152.95602
"814132"	292.2038	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M"	0
"981103"	273.18541	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"70439"	193.795257333333	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"517901"	291.196524	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"894243"	96.3939906666667	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"12940"	291.196524	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"454329"	437.298424	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"831761"	145.094624	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"91755"	583.400324	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"530949"	875.604124	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"908751"	291.196524	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"60937"	600.426871	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"499401"	892.630671	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"878301"	308.223071	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"42555"	605.382266	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"480291"	897.586066	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"854814"	313.178466	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1620340"	313.178466	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"95286"	309.184863	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"534925"	455.286763	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"927874"	163.082963	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"268249"	619.377002	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"661157"	911.580802	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1273933"	327.173202	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"16726"	621.356206	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"458363"	913.560006	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"843822"	329.152406	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1564031"	329.152406	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"950820"	337.201994	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"367212"	629.405801	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"355105"	643.421451	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1500655"	351.217651	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"964919"	359.183951	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"115285"	327.173202	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"551076"	473.275102	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1028754"	181.071302	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1246511"	371.122685	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1315156"	373.178672	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1323176"	395.160629	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"915328"	405.189386	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1292766"	441.166064	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1370196"	257.191124	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1384779"	275.2011	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"292487"	585.414876	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"688921"	877.618676	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1362718"	293.211076	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"138525"	293.211076	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"578815"	439.312976	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1050528"	147.109176	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"216611"	195.809809333333	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"658355"	293.211076	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1173566"	98.4085426666667	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"437930"	602.441423	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"789085"	894.645223	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1689790"	310.237623	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"341347"	301.7243495	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"731581"	447.8262495	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1490506"	155.6224495	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"405179"	607.396818	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"767269"	899.600618	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1615363"	315.193018	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"325399"	304.202047	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"720738"	450.303947	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1476263"	158.100147	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1063793"	105.735856666667	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1270940"	325.237286	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"392073"	623.370758	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"749422"	915.574558	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1551112"	331.166958	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"311204"	312.189017	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"705814"	458.290917	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1460729"	166.087117	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"249335"	626.441426	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1221678"	334.237626	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1205561"	167.622451	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"199525"	629.37876	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"641641"	921.58256	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1142595"	337.17496	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"183700"	315.193018	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"625085"	461.294918	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1125673"	169.091118	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1408105"	113.063170666667	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1441314"	339.216546	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"225543"	320.22604	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1514699"	353.26859	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"415480"	323.179988	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"772099"	469.281888	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1680591"	177.078088	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"266137"	648.423368	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1241041"	356.219568	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1726759"	356.243093	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1193332"	120.390484666667	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1665166"	361.198488	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"164128"	661.32664	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"608062"	953.53044	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1095853"	369.12284	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"151576"	331.166958	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"591136"	477.268858	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1080024"	185.065058	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1112138"	371.137392	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1345244"	371.225007	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1015962"	375.264176	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1527525"	376.257808	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"991788"	188.135726	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1599413"	377.172428	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1420698"	407.203938	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1150991"	208.649001	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1698354"	424.230485	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1635462"	429.18588	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1583874"	445.15982	"C16324"	"910-EOT;910-Epoxyoctadecatrienoic acid;(9S)-(10E12Z15Z)-910-Epoxyoctadecatri-101215-enoic acid;910-EOTrE"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"816429"	292.2038	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M"	0
"984495"	273.18541	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H2O-H"	-19.01839
"78166"	193.795257333333	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-3H"	-3.021828
"517769"	291.196524	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-3H"	-3.021828
"895089"	96.3939906666667	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-3H"	-3.021828
"15120"	291.196524	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H"	-2.014552
"454437"	437.298424	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H"	-2.014552
"831754"	145.094624	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H"	-2.014552
"93202"	583.400324	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-H"	-1.007276
"531064"	875.604124	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-H"	-1.007276
"909834"	291.196524	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H"	-1.007276
"61655"	600.426871	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+NH4"	16.019271
"501945"	892.630671	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+NH4"	16.019271
"876222"	308.223071	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H+NH4"	16.019271
"44852"	605.382266	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+Na"	20.974666
"486235"	897.586066	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+Na"	20.974666
"859299"	313.178466	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H+Na"	20.974666
"1620450"	313.178466	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na-2H"	20.974666
"96612"	309.184863	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-H+Cl"	33.962126
"535564"	455.286763	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-H+Cl"	33.962126
"928229"	163.082963	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+Cl"	33.962126
"267876"	619.377002	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Cl"	34.969402
"663218"	911.580802	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+Cl"	34.969402
"1275985"	327.173202	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl"	34.969402
"16838"	621.356206	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M-2H+K"	36.948606
"458105"	913.560006	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M-2H+K"	36.948606
"833720"	329.152406	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-2H+K"	36.948606
"1569244"	329.152406	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K-2H"	36.948606
"950930"	337.201994	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+HCOOH"	44.998194
"370238"	629.405801	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+HCOOH-H"	44.998201
"359954"	643.421451	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Hac-H"	59.013851
"1502952"	351.217651	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Hac-H"	59.013851
"967217"	359.183951	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+NaCOOH"	66.980151
"117218"	327.173202	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2Cl"	69.938804
"552037"	473.275102	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2Cl"	69.938804
"1031054"	181.071302	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2Cl"	69.938804
"1244433"	371.122685	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Br"	78.918885
"1313079"	373.178672	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+HCOOH"	80.974872
"1326202"	395.160629	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+NaCOOH"	102.956829
"915074"	405.189386	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M-H+CF3COOH"	112.985586
"1298343"	441.166064	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Cl+CF3COOH"	148.962264
"1375411"	257.191124	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H-2H2O"	-35.012676
"1386346"	275.2011	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H-H2O"	-17.0027
"286036"	585.414876	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H"	1.007276
"682832"	877.618676	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H"	1.007276
"1361368"	293.211076	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H"	1.007276
"136445"	293.211076	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2H"	2.014552
"580624"	439.312976	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2H"	2.014552
"1051007"	147.109176	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2H"	2.014552
"217451"	195.809809333333	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+3H"	3.021828
"659074"	293.211076	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+3H"	3.021828
"1175500"	98.4085426666667	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+3H"	3.021828
"436948"	602.441423	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+NH4"	18.033823
"792475"	894.645223	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+NH4"	18.033823
"1689900"	310.237623	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+NH4"	18.033823
"340367"	301.7243495	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H+NH4"	19.041099
"736798"	447.8262495	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H+NH4"	19.041099
"1491588"	155.6224495	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+NH4"	19.041099
"406019"	607.396818	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Na"	22.989218
"768473"	899.600618	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+Na"	22.989218
"1617417"	315.193018	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na"	22.989218
"324416"	304.202047	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H+Na"	23.996494
"721212"	450.303947	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H+Na"	23.996494
"1477015"	158.100147	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+Na"	23.996494
"1068162"	105.735856666667	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2H+Na"	25.00377
"1272642"	325.237286	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+CH3OH+H"	33.033486
"391812"	623.370758	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+K"	38.963158
"747346"	915.574558	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+K"	38.963158
"1551586"	331.166958	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K"	38.963158
"312042"	312.189017	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+H+K"	39.970434
"706532"	458.290917	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+H+K"	39.970434
"1460798"	166.087117	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+K"	39.970434
"246532"	626.441426	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+H"	42.033826
"1219605"	334.237626	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+H"	42.033826
"1206404"	167.622451	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+2H"	43.041102
"200368"	629.37876	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na-H"	44.97116
"641023"	921.58256	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na-H"	44.97116
"1141613"	337.17496	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2Na-H"	44.97116
"184541"	315.193018	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2Na"	45.978436
"625195"	461.294918	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2Na"	45.978436
"1123597"	169.091118	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2Na"	45.978436
"1399828"	113.063170666667	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+2Na"	46.985712
"1435956"	339.216546	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+HCOOH"	47.012746
"222372"	320.22604	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+3H2O+2H"	56.04448
"1514807"	353.26859	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+H"	61.06479
"415583"	323.179988	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+Na+K"	61.952376
"770626"	469.281888	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+Na+K"	61.952376
"1678753"	177.078088	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na+K"	61.952376
"264908"	648.423368	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+ACN+Na"	64.015768
"1240534"	356.219568	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+ACN+Na"	64.015768
"1727598"	356.243093	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+HCOOH"	64.039293
"1191860"	120.390484666667	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+3Na"	68.967654
"1662479"	361.198488	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na+HCOOH"	68.994688
"170800"	661.32664	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2K-H"	76.91904
"608171"	953.53044	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2K-H"	76.91904
"1092685"	369.12284	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2K-H"	76.91904
"148408"	331.166958	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"2M+2K"	77.926316
"589061"	477.268858	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"3M+2K"	77.926316
"1076854"	185.065058	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2K"	77.926316
"1108969"	371.137392	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2K+H"	78.933592
"1342074"	371.225007	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+DMSO+H"	79.021207
"1014979"	375.264176	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+H"	83.060376
"1525084"	376.257808	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+IsoProp+Na+H"	84.054008
"1000646"	188.135726	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+2ACN+2H"	84.067652
"1600622"	377.172428	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K+HCOOH"	84.968628
"1428829"	407.203938	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+H+CF3COOH"	115.000138
"1151101"	208.649001	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+3ACN+2H"	125.094202
"1701745"	424.230485	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+NH4+CF3COOH"	132.026685
"1636304"	429.18588	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+Na+CF3COOH"	136.98208
"1583984"	445.15982	"C16325"	"10-OPDA;10-Oxo-1115-phytodienoic acid;(11Z15Z)-10-Oxo-1115-phytodienoic acid"	"C18H28O3"	"292.2038"	"M+K+CF3COOH"	152.95602
"816938"	294.2195	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M"	0
"989513"	275.20111	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"77227"	195.139057333333	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"518331"	293.212224	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"895362"	97.0658906666666	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"13533"	293.212224	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"452369"	440.321974	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"830895"	146.102474	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"91616"	587.431724	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"532754"	881.651224	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"909945"	293.212224	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"62255"	604.458271	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"502422"	898.677771	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"879453"	310.238771	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"46423"	609.413666	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"483794"	903.633166	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"861598"	315.194166	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1630038"	315.194166	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"103287"	311.200563	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"542847"	458.310313	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"942360"	164.090813	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"279294"	623.408402	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"674511"	917.627902	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1285214"	329.188902	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"31179"	625.387606	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"462957"	919.607106	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"839666"	331.168106	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1570899"	331.168106	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"956874"	339.217694	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"375452"	633.437201	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"360065"	647.452851	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1504159"	353.233351	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"970609"	361.199651	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"122796"	329.188902	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"560171"	476.298652	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1033349"	182.079152	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1245999"	373.138385	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1309908"	375.194372	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1329592"	397.176329	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"918464"	407.205086	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1299546"	443.181764	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1375521"	259.206824	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1387186"	277.2168	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"286873"	589.446276	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"686222"	883.665776	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1356374"	295.226776	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"139838"	295.226776	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"579036"	442.336526	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1051117"	148.117026	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"218290"	197.153609333333	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"658822"	295.226776	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1175612"	99.0804426666667	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"437061"	606.472823	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"795867"	900.692323	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1688918"	312.253323	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"342664"	303.7400495	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"735815"	450.8497995	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1488904"	156.6302995	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"404307"	611.428218	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"768583"	905.647718	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1614490"	317.208718	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"327808"	306.217747	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"721322"	453.327497	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1475876"	159.107997	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1068359"	106.407756666667	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1272553"	327.252986	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"392538"	627.402158	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"754023"	921.621658	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1555224"	333.182658	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"313615"	314.204717	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"704583"	461.314467	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1460589"	167.094967	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"248100"	630.472826	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1219715"	336.253326	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1209066"	168.630301	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"201208"	633.41016	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"642958"	927.62966	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1146098"	339.19066	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"186838"	317.208718	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"624575"	464.318468	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1125894"	170.098968	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1405041"	113.735070666667	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1438254"	341.232246	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"224669"	322.24174	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1520384"	355.28429	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"423590"	325.195688	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"779967"	472.305438	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1674122"	178.085938	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"261736"	652.454768	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1234449"	358.235268	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1725523"	358.258793	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1193425"	121.062384666667	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1655300"	363.214188	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"166536"	665.35804	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"607190"	959.57754	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1093889"	371.13854	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"155079"	333.182658	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"596223"	480.292408	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1083283"	186.072908	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1111267"	373.153092	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1342184"	373.240707	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1016181"	377.279876	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1528840"	378.273508	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"1001849"	189.143576	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1601097"	379.188128	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1429550"	409.219638	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1161051"	209.656851	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1705135"	426.246185	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1636414"	431.20158	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1584094"	447.17552	"C16326"	"9(S)-HOT;(9S)-(10E12Z15Z)-9-Hydroxyoctadecatri-101215-enoic acid;9(S)-HOTrE"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"813367"	1043.3241	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M"	0
"989863"	1024.30571	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-H2O-H"	-19.01839
"78371"	694.542124	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M-3H"	-3.021828
"518486"	1042.316824	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M-3H"	-3.021828
"894706"	346.767424	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-3H"	-3.021828
"15386"	1042.316824	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M-2H"	-2.014552
"455147"	1563.978874	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M-2H"	-2.014552
"831614"	520.654774	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-2H"	-2.014552
"92456"	2085.640924	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M-H"	-1.007276
"533713"	3128.965024	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M-H"	-1.007276
"909089"	1042.316824	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-H"	-1.007276
"62614"	2102.667471	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M-2H+NH4"	16.019271
"500830"	3145.991571	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M-2H+NH4"	16.019271
"878145"	1059.343371	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-2H+NH4"	16.019271
"45073"	2107.622866	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M-2H+Na"	20.974666
"486092"	3150.946966	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M-2H+Na"	20.974666
"860614"	1064.298766	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-2H+Na"	20.974666
"1627961"	1064.298766	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Na-2H"	20.974666
"103397"	1060.305163	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M-H+Cl"	33.962126
"541863"	1581.967213	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M-H+Cl"	33.962126
"939755"	538.643113	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-H+Cl"	33.962126
"280497"	2121.617602	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+Cl"	34.969402
"675106"	3164.941702	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+Cl"	34.969402
"1288201"	1078.293502	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Cl"	34.969402
"30069"	2123.596806	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M-2H+K"	36.948606
"463067"	3166.920906	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M-2H+K"	36.948606
"839776"	1080.272706	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-2H+K"	36.948606
"1568372"	1080.272706	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+K-2H"	36.948606
"956620"	1088.322294	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-H+HCOOH"	44.998194
"375198"	2131.646401	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+HCOOH-H"	44.998201
"360175"	2145.662051	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+Hac-H"	59.013851
"1504269"	1102.337951	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Hac-H"	59.013851
"970719"	1110.304251	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-H+NaCOOH"	66.980151
"119626"	1078.293502	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+2Cl"	69.938804
"563199"	1599.955552	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+2Cl"	69.938804
"1033460"	556.631452	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2Cl"	69.938804
"1246843"	1122.242985	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Br"	78.918885
"1316580"	1124.298972	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Cl+HCOOH"	80.974872
"1333350"	1146.280929	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Cl+NaCOOH"	102.956829
"924773"	1156.309686	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M-H+CF3COOH"	112.985586
"1302573"	1192.286364	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Cl+CF3COOH"	148.962264
"1381100"	1008.311424	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H-2H2O"	-35.012676
"1396775"	1026.3214	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H-H2O"	-17.0027
"292817"	2087.655476	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+H"	1.007276
"689251"	3130.979576	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+H"	1.007276
"1364506"	1044.331376	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H"	1.007276
"137394"	1044.331376	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+2H"	2.014552
"579147"	1565.993426	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+2H"	2.014552
"1052634"	522.669326	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2H"	2.014552
"218763"	696.556676	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+3H"	3.021828
"658686"	1044.331376	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+3H"	3.021828
"1176449"	348.781976	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+3H"	3.021828
"437899"	2104.682023	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+NH4"	18.033823
"799260"	3148.006123	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+NH4"	18.033823
"1695591"	1061.357923	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+NH4"	18.033823
"344599"	1052.8446495	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+H+NH4"	19.041099
"736289"	1574.5066995	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+H+NH4"	19.041099
"1489017"	531.1825995	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H+NH4"	19.041099
"407698"	2109.637418	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+Na"	22.989218
"766506"	3152.961518	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+Na"	22.989218
"1613507"	1066.313318	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Na"	22.989218
"324636"	1055.322347	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+H+Na"	23.996494
"719246"	1576.984397	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+H+Na"	23.996494
"1474525"	533.660297	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H+Na"	23.996494
"1067043"	356.10929	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2H+Na"	25.00377
"1271029"	1076.357586	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+CH3OH+H"	33.033486
"392159"	2125.611358	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+K"	38.963158
"753406"	3168.935458	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+K"	38.963158
"1555335"	1082.287258	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+K"	38.963158
"314055"	1063.309317	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+H+K"	39.970434
"706032"	1584.971367	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+H+K"	39.970434
"1459610"	541.647267	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H+K"	39.970434
"247849"	2128.682026	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+ACN+H"	42.033826
"1222016"	1085.357926	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+ACN+H"	42.033826
"1208815"	543.182601	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+ACN+2H"	43.041102
"203592"	2131.61936	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+2Na-H"	44.97116
"643925"	3174.94346	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+2Na-H"	44.97116
"1145122"	1088.29526	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2Na-H"	44.97116
"187680"	1066.313318	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+2Na"	45.978436
"627602"	1587.975368	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+2Na"	45.978436
"1129650"	544.651268	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2Na"	45.978436
"1408436"	363.436604	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H+2Na"	46.985712
"1444561"	1090.336846	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H+HCOOH"	47.012746
"225876"	1071.34634	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+3H2O+2H"	56.04448
"1520498"	1104.38889	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+IsoProp+H"	61.06479
"416900"	1074.300288	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+Na+K"	61.952376
"780081"	1595.962338	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+Na+K"	61.952376
"1676419"	552.638238	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Na+K"	61.952376
"265859"	2150.663968	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+ACN+Na"	64.015768
"1235652"	1107.339868	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+ACN+Na"	64.015768
"1723446"	1107.363393	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+NH4+HCOOH"	64.039293
"1192806"	370.763918	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+3Na"	68.967654
"1663066"	1112.318788	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Na+HCOOH"	68.994688
"172520"	2163.56724	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+2K-H"	76.91904
"612243"	3206.89134	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+2K-H"	76.91904
"1099676"	1120.24314	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2K-H"	76.91904
"156891"	1082.287258	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"2M+2K"	77.926316
"596452"	1603.949308	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"3M+2K"	77.926316
"1083393"	560.625208	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2K"	77.926316
"1113443"	1122.257692	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2K+H"	78.933592
"1350559"	1122.345307	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+DMSO+H"	79.021207
"1020424"	1126.384476	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2ACN+H"	83.060376
"1532231"	1127.378108	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+IsoProp+Na+H"	84.054008
"1001959"	563.695876	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+2ACN+2H"	84.067652
"1601454"	1128.292728	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+K+HCOOH"	84.968628
"1429657"	1158.324238	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+H+CF3COOH"	115.000138
"1154600"	584.209151	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+3ACN+2H"	125.094202
"1705245"	1175.350785	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+NH4+CF3COOH"	132.026685
"1646365"	1180.30618	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+Na+CF3COOH"	136.98208
"1584204"	1196.28012	"C16327"	"OPC8-CoA"	"C39H64N7O18P3S"	"1043.3241"	"M+K+CF3COOH"	152.95602
"816275"	1041.3085	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M"	0
"989846"	1022.29011	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-H2O-H"	-19.01839
"78058"	693.198390666667	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M-3H"	-3.021828
"518107"	1040.301224	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M-3H"	-3.021828
"895418"	346.095557333333	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-3H"	-3.021828
"12287"	1040.301224	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M-2H"	-2.014552
"455008"	1560.955474	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M-2H"	-2.014552
"831481"	519.646974	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-2H"	-2.014552
"92932"	2081.609724	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M-H"	-1.007276
"532123"	3122.918224	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M-H"	-1.007276
"910170"	1040.301224	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-H"	-1.007276
"59556"	2098.636271	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M-2H+NH4"	16.019271
"499725"	3139.944771	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M-2H+NH4"	16.019271
"877404"	1057.327771	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-2H+NH4"	16.019271
"46521"	2103.591666	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M-2H+Na"	20.974666
"485594"	3144.900166	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M-2H+Na"	20.974666
"863278"	1062.283166	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-2H+Na"	20.974666
"1630258"	1062.283166	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Na-2H"	20.974666
"102413"	1058.289563	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M-H+Cl"	33.962126
"544160"	1578.943813	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M-H+Cl"	33.962126
"940594"	537.635313	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-H+Cl"	33.962126
"280607"	2117.586402	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+Cl"	34.969402
"675095"	3158.894902	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+Cl"	34.969402
"1287257"	1076.277902	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Cl"	34.969402
"25803"	2119.565606	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M-2H+K"	36.948606
"464270"	3160.874106	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M-2H+K"	36.948606
"842803"	1078.257106	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-2H+K"	36.948606
"1567387"	1078.257106	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+K-2H"	36.948606
"955271"	1086.306694	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-H+HCOOH"	44.998194
"374944"	2127.615201	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+HCOOH-H"	44.998201
"360649"	2141.630851	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+Hac-H"	59.013851
"1506208"	1100.322351	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Hac-H"	59.013851
"965359"	1108.288651	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-H+NaCOOH"	66.980151
"115360"	1076.277902	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+2Cl"	69.938804
"559298"	1596.932152	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+2Cl"	69.938804
"1031380"	555.623652	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2Cl"	69.938804
"1249865"	1120.227385	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Br"	78.918885
"1316693"	1122.283372	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Cl+HCOOH"	80.974872
"1333824"	1144.265329	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Cl+NaCOOH"	102.956829
"924516"	1154.294086	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M-H+CF3COOH"	112.985586
"1299766"	1190.270764	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Cl+CF3COOH"	148.962264
"1371364"	1006.295824	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H-2H2O"	-35.012676
"1396157"	1024.3058	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H-H2O"	-17.0027
"297545"	2083.624276	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+H"	1.007276
"689726"	3124.932776	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+H"	1.007276
"1364983"	1042.315776	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H"	1.007276
"140423"	1042.315776	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+2H"	2.014552
"580351"	1562.970026	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+2H"	2.014552
"1050975"	521.661526	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2H"	2.014552
"219603"	695.212942666667	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+3H"	3.021828
"658436"	1042.315776	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+3H"	3.021828
"1176925"	348.110109333333	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+3H"	3.021828
"437284"	2100.650823	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+NH4"	18.033823
"796090"	3141.959323	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+NH4"	18.033823
"1695701"	1059.342323	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+NH4"	18.033823
"343979"	1050.8290495	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+H+NH4"	19.041099
"736399"	1571.4832995	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+H+NH4"	19.041099
"1489127"	530.1747995	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H+NH4"	19.041099
"408175"	2105.606218	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+Na"	22.989218
"764429"	3146.914718	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+Na"	22.989218
"1612524"	1064.297718	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Na"	22.989218
"325840"	1053.306747	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+H+Na"	23.996494
"719356"	1573.960997	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+H+Na"	23.996494
"1474270"	532.652497	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H+Na"	23.996494
"1066422"	355.437423333333	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2H+Na"	25.00377
"1271018"	1074.341986	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+CH3OH+H"	33.033486
"392269"	2121.580158	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+K"	38.963158
"753758"	3162.888658	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+K"	38.963158
"1554713"	1080.271658	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+K"	38.963158
"313595"	1061.293717	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+H+K"	39.970434
"706506"	1581.947967	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+H+K"	39.970434
"1460811"	540.639467	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H+K"	39.970434
"250148"	2124.650826	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+ACN+H"	42.033826
"1224806"	1083.342326	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+ACN+H"	42.033826
"1209338"	542.174801	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+ACN+2H"	43.041102
"203747"	2127.58816	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+2Na-H"	44.97116
"643713"	3168.89666	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+2Na-H"	44.97116
"1147039"	1086.27966	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2Na-H"	44.97116
"188401"	1064.297718	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+2Na"	45.978436
"628503"	1584.951968	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+2Na"	45.978436
"1130901"	543.643468	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2Na"	45.978436
"1413286"	362.764737333333	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H+2Na"	46.985712
"1443946"	1088.321246	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H+HCOOH"	47.012746
"229266"	1069.33074	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+3H2O+2H"	56.04448
"1523964"	1102.37329	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+IsoProp+H"	61.06479
"423210"	1072.284688	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+Na+K"	61.952376
"784569"	1592.938938	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+Na+K"	61.952376
"1673252"	551.630438	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Na+K"	61.952376
"262690"	2146.632768	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+ACN+Na"	64.015768
"1233575"	1105.324268	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+ACN+Na"	64.015768
"1725741"	1105.347793	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+NH4+HCOOH"	64.039293
"1194058"	370.092051333333	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+3Na"	68.967654
"1663176"	1110.303188	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Na+HCOOH"	68.994688
"172224"	2159.53604	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+2K-H"	76.91904
"612724"	3200.84454	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+2K-H"	76.91904
"1099093"	1118.22754	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2K-H"	76.91904
"156760"	1080.271658	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"2M+2K"	77.926316
"596765"	1600.925908	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"3M+2K"	77.926316
"1084116"	559.617408	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2K"	77.926316
"1111488"	1120.242092	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2K+H"	78.933592
"1346780"	1120.329707	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+DMSO+H"	79.021207
"1017495"	1124.368876	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2ACN+H"	83.060376
"1537809"	1125.362508	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+IsoProp+Na+H"	84.054008
"1004265"	562.688076	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+2ACN+2H"	84.067652
"1601677"	1126.277128	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+K+HCOOH"	84.968628
"1429525"	1156.308638	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+H+CF3COOH"	115.000138
"1161639"	583.201351	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+3ACN+2H"	125.094202
"1705356"	1173.335185	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+NH4+CF3COOH"	132.026685
"1646475"	1178.29058	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+Na+CF3COOH"	136.98208
"1584314"	1194.26452	"C16328"	"trans-2-Enoyl-OPC8-CoA"	"C39H62N7O18P3S"	"1041.3085"	"M+K+CF3COOH"	152.95602
"816710"	1059.3191	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M"	0
"989480"	1040.30071	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-H2O-H"	-19.01839
"78164"	705.205457333333	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M-3H"	-3.021828
"516025"	1058.311824	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M-3H"	-3.021828
"894798"	352.099090666667	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-3H"	-3.021828
"15036"	1058.311824	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M-2H"	-2.014552
"454754"	1587.971374	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M-2H"	-2.014552
"831218"	528.652274	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-2H"	-2.014552
"92303"	2117.630924	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M-H"	-1.007276
"531499"	3176.950024	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M-H"	-1.007276
"909544"	1058.311824	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-H"	-1.007276
"59302"	2134.657471	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M-2H+NH4"	16.019271
"498496"	3193.976571	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M-2H+NH4"	16.019271
"877514"	1075.338371	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-2H+NH4"	16.019271
"43468"	2139.612866	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M-2H+Na"	20.974666
"481936"	3198.931966	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M-2H+Na"	20.974666
"856458"	1080.293766	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-2H+Na"	20.974666
"1625994"	1080.293766	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Na-2H"	20.974666
"97053"	1076.300163	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M-H+Cl"	33.962126
"536612"	1605.959713	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M-H+Cl"	33.962126
"929036"	546.640613	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-H+Cl"	33.962126
"267424"	2153.607602	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+Cl"	34.969402
"660249"	3212.926702	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+Cl"	34.969402
"1274606"	1094.288502	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Cl"	34.969402
"15847"	2155.586806	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M-2H+K"	36.948606
"460006"	3214.905906	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M-2H+K"	36.948606
"833107"	1096.267706	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-2H+K"	36.948606
"1565673"	1096.267706	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+K-2H"	36.948606
"949180"	1104.317294	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-H+HCOOH"	44.998194
"365210"	2163.636401	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+HCOOH-H"	44.998201
"350551"	2177.652051	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+Hac-H"	59.013851
"1499018"	1118.332951	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Hac-H"	59.013851
"961094"	1126.299251	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-H+NaCOOH"	66.980151
"113647"	1094.288502	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+2Cl"	69.938804
"552116"	1623.948052	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+2Cl"	69.938804
"1029304"	564.628952	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2Cl"	69.938804
"1248880"	1138.237985	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Br"	78.918885
"1317168"	1140.293972	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Cl+HCOOH"	80.974872
"1331744"	1162.275929	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Cl+NaCOOH"	102.956829
"921710"	1172.304686	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M-H+CF3COOH"	112.985586
"1299876"	1208.281364	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Cl+CF3COOH"	148.962264
"1372932"	1024.306424	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H-2H2O"	-35.012676
"1392258"	1042.3164	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H-H2O"	-17.0027
"296319"	2119.645476	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+H"	1.007276
"690322"	3178.964576	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+H"	1.007276
"1362904"	1060.326376	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H"	1.007276
"139439"	1060.326376	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+2H"	2.014552
"579004"	1589.985926	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+2H"	2.014552
"1049626"	530.666826	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2H"	2.014552
"216432"	707.220009333333	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+3H"	3.021828
"656720"	1060.326376	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+3H"	3.021828
"1177522"	354.113642666667	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+3H"	3.021828
"437392"	2136.672023	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+NH4"	18.033823
"799725"	3195.991123	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+NH4"	18.033823
"1695935"	1077.352923	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+NH4"	18.033823
"339714"	1068.8396495	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+H+NH4"	19.041099
"734323"	1598.4991995	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+H+NH4"	19.041099
"1489237"	539.1800995	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H+NH4"	19.041099
"408042"	2141.627418	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+Na"	22.989218
"764539"	3200.946518	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+Na"	22.989218
"1613727"	1082.308318	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Na"	22.989218
"324857"	1071.317347	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+H+Na"	23.996494
"717279"	1600.976897	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+H+Na"	23.996494
"1471098"	541.657797	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H+Na"	23.996494
"1062157"	361.440956666667	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2H+Na"	25.00377
"1272588"	1092.352586	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+CH3OH+H"	33.033486
"392136"	2157.601358	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+K"	38.963158
"753621"	3216.920458	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+K"	38.963158
"1554822"	1098.282258	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+K"	38.963158
"313702"	1079.304317	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+H+K"	39.970434
"705885"	1608.963867	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+H+K"	39.970434
"1459826"	549.644767	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H+K"	39.970434
"249528"	2160.672026	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+ACN+H"	42.033826
"1222971"	1101.352926	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+ACN+H"	42.033826
"1207945"	551.180101	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+ACN+2H"	43.041102
"202885"	2163.60936	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+2Na-H"	44.97116
"643052"	3222.92846	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+2Na-H"	44.97116
"1144857"	1104.29026	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2Na-H"	44.97116
"186810"	1082.308318	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+2Na"	45.978436
"627583"	1611.967868	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+2Na"	45.978436
"1130118"	552.648768	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2Na"	45.978436
"1410846"	368.768270666667	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H+2Na"	46.985712
"1444664"	1106.331846	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H+HCOOH"	47.012746
"233753"	1087.34134	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+3H2O+2H"	56.04448
"1522545"	1120.38389	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+IsoProp+H"	61.06479
"422590"	1090.295288	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+Na+K"	61.952376
"785165"	1619.954838	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+Na+K"	61.952376
"1675549"	560.635738	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Na+K"	61.952376
"256604"	2182.653968	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+ACN+Na"	64.015768
"1233686"	1123.334868	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+ACN+Na"	64.015768
"1725851"	1123.358393	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+NH4+HCOOH"	64.039293
"1193883"	376.095584666667	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+3Na"	68.967654
"1664383"	1128.313788	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Na+HCOOH"	68.994688
"171973"	2195.55724	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+2K-H"	76.91904
"611531"	3254.87634	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+2K-H"	76.91904
"1098717"	1136.23814	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2K-H"	76.91904
"154315"	1098.282258	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"2M+2K"	77.926316
"593755"	1627.941808	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"3M+2K"	77.926316
"1083372"	568.622708	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2K"	77.926316
"1111598"	1138.252692	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2K+H"	78.933592
"1347984"	1138.340307	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+DMSO+H"	79.021207
"1015419"	1142.379476	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2ACN+H"	83.060376
"1538771"	1143.373108	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+IsoProp+Na+H"	84.054008
"1004372"	571.693376	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+2ACN+2H"	84.067652
"1601790"	1144.287728	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+K+HCOOH"	84.968628
"1428907"	1174.319238	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+H+CF3COOH"	115.000138
"1154823"	592.206651	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+3ACN+2H"	125.094202
"1708746"	1191.345785	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+NH4+CF3COOH"	132.026685
"1646585"	1196.30118	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+Na+CF3COOH"	136.98208
"1584424"	1212.27512	"C16329"	"3-Hydroxy-OPC8-CoA"	"C39H64N7O19P3S"	"1059.3191"	"M+K+CF3COOH"	152.95602
"816802"	1057.3034	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M"	0
"989508"	1038.28501	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-H2O-H"	-19.01839
"77914"	703.861657333333	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M-3H"	-3.021828
"516868"	1056.296124	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M-3H"	-3.021828
"894794"	351.427190666667	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-3H"	-3.021828
"13612"	1056.296124	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M-2H"	-2.014552
"453414"	1584.947824	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M-2H"	-2.014552
"830964"	527.644424	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-2H"	-2.014552
"93024"	2113.599524	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M-H"	-1.007276
"528330"	3170.902924	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M-H"	-1.007276
"909410"	1056.296124	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-H"	-1.007276
"60505"	2130.626071	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M-2H+NH4"	16.019271
"501036"	3187.929471	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M-2H+NH4"	16.019271
"874586"	1073.322671	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-2H+NH4"	16.019271
"42486"	2135.581466	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M-2H+Na"	20.974666
"483139"	3192.884866	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M-2H+Na"	20.974666
"859847"	1078.278066	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-2H+Na"	20.974666
"1626104"	1078.278066	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Na-2H"	20.974666
"97164"	1074.284463	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M-H+Cl"	33.962126
"537815"	1602.936163	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M-H+Cl"	33.962126
"929146"	545.632763	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-H+Cl"	33.962126
"267819"	2149.576202	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+Cl"	34.969402
"660848"	3206.879602	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+Cl"	34.969402
"1274716"	1092.272802	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Cl"	34.969402
"16296"	2151.555406	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M-2H+K"	36.948606
"460116"	3208.858806	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M-2H+K"	36.948606
"833014"	1094.252006	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-2H+K"	36.948606
"1567970"	1094.252006	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+K-2H"	36.948606
"949290"	1102.301594	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-H+HCOOH"	44.998194
"365320"	2159.605001	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+HCOOH-H"	44.998201
"350661"	2173.620651	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+Hac-H"	59.013851
"1498035"	1116.317251	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Hac-H"	59.013851
"964849"	1124.283551	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-H+NaCOOH"	66.980151
"113393"	1092.272802	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+2Cl"	69.938804
"552955"	1620.924502	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+2Cl"	69.938804
"1027591"	563.621102	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2Cl"	69.938804
"1247897"	1136.222285	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Br"	78.918885
"1318371"	1138.278272	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Cl+HCOOH"	80.974872
"1331854"	1160.260229	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Cl+NaCOOH"	102.956829
"921819"	1170.288986	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M-H+CF3COOH"	112.985586
"1296705"	1206.265664	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Cl+CF3COOH"	148.962264
"1375961"	1022.290724	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H-2H2O"	-35.012676
"1397712"	1040.3007	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H-H2O"	-17.0027
"286583"	2115.614076	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+H"	1.007276
"680098"	3172.917476	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+H"	1.007276
"1365561"	1058.310676	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H"	1.007276
"134442"	1058.310676	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+2H"	2.014552
"580815"	1586.962376	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+2H"	2.014552
"1052656"	529.658976	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2H"	2.014552
"216542"	705.876209333333	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+3H"	3.021828
"655009"	1058.310676	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+3H"	3.021828
"1178038"	353.441742666667	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+3H"	3.021828
"438595"	2132.640623	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+NH4"	18.033823
"800894"	3189.944023	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+NH4"	18.033823
"1696738"	1075.337223	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+NH4"	18.033823
"338731"	1066.8239495	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+H+NH4"	19.041099
"734433"	1595.4756495	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+H+NH4"	19.041099
"1488255"	538.1722495	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H+NH4"	19.041099
"408275"	2137.596018	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+Na"	22.989218
"764650"	3194.899418	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+Na"	22.989218
"1612745"	1080.292618	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Na"	22.989218
"323874"	1069.301647	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+H+Na"	23.996494
"718482"	1597.953347	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+H+Na"	23.996494
"1471208"	540.649947	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H+Na"	23.996494
"1063360"	360.769056666667	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2H+Na"	25.00377
"1272607"	1090.336886	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+CH3OH+H"	33.033486
"391635"	2153.569958	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+K"	38.963158
"754063"	3210.873358	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+K"	38.963158
"1554325"	1096.266558	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+K"	38.963158
"311503"	1077.288617	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+H+K"	39.970434
"705993"	1605.940317	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+H+K"	39.970434
"1459572"	548.636917	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H+K"	39.970434
"250000"	2156.640626	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+ACN+H"	42.033826
"1224051"	1099.337226	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+ACN+H"	42.033826
"1209028"	550.172251	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+ACN+2H"	43.041102
"203236"	2159.57796	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+2Na-H"	44.97116
"643853"	3216.88136	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+2Na-H"	44.97116
"1146302"	1102.27456	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2Na-H"	44.97116
"188256"	1080.292618	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+2Na"	45.978436
"628267"	1608.944318	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+2Na"	45.978436
"1131081"	551.640918	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2Na"	45.978436
"1413388"	368.096370666667	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H+2Na"	46.985712
"1445384"	1104.316146	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H+HCOOH"	47.012746
"235324"	1085.32564	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+3H2O+2H"	56.04448
"1523873"	1118.36819	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+IsoProp+H"	61.06479
"423065"	1088.279588	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+Na+K"	61.952376
"780415"	1616.931288	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+Na+K"	61.952376
"1678215"	559.627888	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Na+K"	61.952376
"264007"	2178.622568	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+ACN+Na"	64.015768
"1236715"	1121.319168	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+ACN+Na"	64.015768
"1725238"	1121.342693	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+NH4+HCOOH"	64.039293
"1190959"	375.423684666667	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+3Na"	68.967654
"1662310"	1126.298088	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Na+HCOOH"	68.994688
"170629"	2191.52584	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+2K-H"	76.91904
"609462"	3248.82924	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+2K-H"	76.91904
"1097254"	1134.22244	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2K-H"	76.91904
"152612"	1096.266558	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"2M+2K"	77.926316
"594118"	1624.918258	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"3M+2K"	77.926316
"1081785"	567.614858	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2K"	77.926316
"1110623"	1136.236992	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2K+H"	78.933592
"1349675"	1136.324607	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+DMSO+H"	79.021207
"1016623"	1140.363776	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2ACN+H"	83.060376
"1536215"	1141.357408	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+IsoProp+Na+H"	84.054008
"1002298"	570.685526	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+2ACN+2H"	84.067652
"1601542"	1142.272028	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+K+HCOOH"	84.968628
"1426470"	1172.303538	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+H+CF3COOH"	115.000138
"1159309"	591.198801	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+3ACN+2H"	125.094202
"1709952"	1189.330085	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+NH4+CF3COOH"	132.026685
"1645604"	1194.28548	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+Na+CF3COOH"	136.98208
"1584534"	1210.25942	"C16330"	"3-Oxo-OPC8-CoA"	"C39H62N7O19P3S"	"1057.3034"	"M+K+CF3COOH"	152.95602
"805059"	1015.2928	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M"	0
"989909"	996.27441	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-H2O-H"	-19.01839
"78370"	675.854590666667	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M-3H"	-3.021828
"518453"	1014.285524	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M-3H"	-3.021828
"895465"	337.423657333333	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-3H"	-3.021828
"14805"	1014.285524	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M-2H"	-2.014552
"454000"	1521.931924	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M-2H"	-2.014552
"831806"	506.639124	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-2H"	-2.014552
"89972"	2029.578324	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M-H"	-1.007276
"532455"	3044.871124	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M-H"	-1.007276
"909893"	1014.285524	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-H"	-1.007276
"61348"	2046.604871	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M-2H+NH4"	16.019271
"499082"	3061.897671	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M-2H+NH4"	16.019271
"875793"	1031.312071	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-2H+NH4"	16.019271
"42598"	2051.560266	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M-2H+Na"	20.974666
"482158"	3066.853066	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M-2H+Na"	20.974666
"858866"	1036.267466	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-2H+Na"	20.974666
"1626214"	1036.267466	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Na-2H"	20.974666
"100556"	1032.273863	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M-H+Cl"	33.962126
"539022"	1539.920263	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M-H+Cl"	33.962126
"934724"	524.627463	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-H+Cl"	33.962126
"275471"	2065.555002	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+Cl"	34.969402
"668985"	3080.847802	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+Cl"	34.969402
"1279201"	1050.262202	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Cl"	34.969402
"22853"	2067.534206	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M-2H+K"	36.948606
"464601"	3082.827006	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M-2H+K"	36.948606
"841310"	1052.241406	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-2H+K"	36.948606
"1569173"	1052.241406	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+K-2H"	36.948606
"953774"	1060.290994	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-H+HCOOH"	44.998194
"368710"	2075.583801	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+HCOOH-H"	44.998201
"353687"	2089.599451	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+Hac-H"	59.013851
"1501424"	1074.306651	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Hac-H"	59.013851
"966782"	1082.272951	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-H+NaCOOH"	66.980151
"115325"	1050.262202	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+2Cl"	69.938804
"552700"	1557.908602	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+2Cl"	69.938804
"1025515"	542.615802	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2Cl"	69.938804
"1246185"	1094.211685	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Br"	78.918885
"1318849"	1096.267672	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Cl+HCOOH"	80.974872
"1334154"	1118.249629	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Cl+NaCOOH"	102.956829
"922300"	1128.278386	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M-H+CF3COOH"	112.985586
"1297911"	1164.255064	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Cl+CF3COOH"	148.962264
"1381178"	980.280124	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H-2H2O"	-35.012676
"1396121"	998.2901	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H-H2O"	-17.0027
"292525"	2031.592876	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+H"	1.007276
"683489"	3046.885676	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+H"	1.007276
"1364942"	1016.300076	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H"	1.007276
"140874"	1016.300076	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+2H"	2.014552
"579947"	1523.946476	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+2H"	2.014552
"1052742"	508.653676	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2H"	2.014552
"218838"	677.869142666667	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+3H"	3.021828
"657305"	1016.300076	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+3H"	3.021828
"1177500"	339.438209333333	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+3H"	3.021828
"437977"	2048.619423	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+NH4"	18.033823
"800434"	3063.912223	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+NH4"	18.033823
"1695306"	1033.326623	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+NH4"	18.033823
"338841"	1024.8133495	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+H+NH4"	19.041099
"733450"	1532.4597495	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+H+NH4"	19.041099
"1489458"	517.1669495	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H+NH4"	19.041099
"408138"	2053.574818	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+Na"	22.989218
"763666"	3068.867618	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+Na"	22.989218
"1612854"	1038.282018	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Na"	22.989218
"323984"	1027.291047	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+H+Na"	23.996494
"716405"	1534.937447	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+H+Na"	23.996494
"1468035"	519.644647	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H+Na"	23.996494
"1062377"	346.765523333333	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2H+Na"	25.00377
"1270254"	1048.326286	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+CH3OH+H"	33.033486
"389922"	2069.548758	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+K"	38.963158
"753722"	3084.841558	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+K"	38.963158
"1554435"	1054.255958	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+K"	38.963158
"311612"	1035.278017	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+H+K"	39.970434
"704766"	1542.924417	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+H+K"	39.970434
"1460411"	527.631617	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H+K"	39.970434
"248283"	2072.619426	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+ACN+H"	42.033826
"1225008"	1057.326626	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+ACN+H"	42.033826
"1208526"	529.166951	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+ACN+2H"	43.041102
"203715"	2075.55676	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+2Na-H"	44.97116
"644041"	3090.84956	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+2Na-H"	44.97116
"1146920"	1060.26396	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2Na-H"	44.97116
"188128"	1038.282018	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+2Na"	45.978436
"628338"	1545.928418	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+2Na"	45.978436
"1131033"	530.635618	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2Na"	45.978436
"1413866"	354.092837333333	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H+2Na"	46.985712
"1445373"	1062.305546	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H+HCOOH"	47.012746
"235192"	1043.31504	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+3H2O+2H"	56.04448
"1523742"	1076.35759	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+IsoProp+H"	61.06479
"423949"	1046.268988	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+Na+K"	61.952376
"784907"	1553.915388	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+Na+K"	61.952376
"1677965"	538.622588	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Na+K"	61.952376
"264480"	2094.601368	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+ACN+Na"	64.015768
"1237556"	1079.308568	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+ACN+Na"	64.015768
"1723528"	1079.332093	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+NH4+HCOOH"	64.039293
"1192529"	361.420151333333	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+3Na"	68.967654
"1662420"	1084.287488	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Na+HCOOH"	68.994688
"171105"	2107.50464	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+2K-H"	76.91904
"610664"	3122.79744	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+2K-H"	76.91904
"1096273"	1092.21184	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2K-H"	76.91904
"154907"	1054.255958	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"2M+2K"	77.926316
"593741"	1561.902358	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"3M+2K"	77.926316
"1082987"	546.609558	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2K"	77.926316
"1113283"	1094.226392	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2K+H"	78.933592
"1349298"	1094.314007	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+DMSO+H"	79.021207
"1018920"	1098.353176	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2ACN+H"	83.060376
"1537053"	1099.346808	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+IsoProp+Na+H"	84.054008
"1002773"	549.680226	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+2ACN+2H"	84.067652
"1600922"	1100.261428	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+K+HCOOH"	84.968628
"1429131"	1130.292938	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+H+CF3COOH"	115.000138
"1159416"	570.193501	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+3ACN+2H"	125.094202
"1710062"	1147.319485	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+NH4+CF3COOH"	132.026685
"1642434"	1152.27488	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+Na+CF3COOH"	136.98208
"1584644"	1168.24882	"C16331"	"OPC6-CoA"	"C37H60N7O18P3S"	"1015.2928"	"M+K+CF3COOH"	152.95602
"805169"	1013.2772	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M"	0
"989277"	994.25881	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-H2O-H"	-19.01839
"78174"	674.510857333333	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M-3H"	-3.021828
"518386"	1012.269924	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M-3H"	-3.021828
"895292"	336.751790666667	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-3H"	-3.021828
"13092"	1012.269924	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M-2H"	-2.014552
"453746"	1518.908524	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M-2H"	-2.014552
"830819"	505.631324	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-2H"	-2.014552
"88987"	2025.547124	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M-H"	-1.007276
"525267"	3038.824324	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M-H"	-1.007276
"905254"	1012.269924	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-H"	-1.007276
"58175"	2042.573671	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M-2H+NH4"	16.019271
"497005"	3055.850871	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M-2H+NH4"	16.019271
"876268"	1029.296471	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-2H+NH4"	16.019271
"42707"	2047.529066	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M-2H+Na"	20.974666
"481175"	3060.806266	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M-2H+Na"	20.974666
"857882"	1034.251866	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-2H+Na"	20.974666
"1625231"	1034.251866	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Na-2H"	20.974666
"97386"	1030.258263	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M-H+Cl"	33.962126
"539132"	1536.896863	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M-H+Cl"	33.962126
"934834"	523.619663	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-H+Cl"	33.962126
"275581"	2061.523802	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+Cl"	34.969402
"669095"	3074.801002	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+Cl"	34.969402
"1279311"	1048.246602	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Cl"	34.969402
"22963"	2063.503006	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M-2H+K"	36.948606
"464711"	3076.780206	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M-2H+K"	36.948606
"841420"	1050.225806	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-2H+K"	36.948606
"1566003"	1050.225806	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+K-2H"	36.948606
"954977"	1058.275394	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-H+HCOOH"	44.998194
"366632"	2071.552601	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+HCOOH-H"	44.998201
"357076"	2085.568251	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+Hac-H"	59.013851
"1501534"	1072.291051	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Hac-H"	59.013851
"962517"	1080.257351	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-H+NaCOOH"	66.980151
"110696"	1048.246602	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+2Cl"	69.938804
"552446"	1554.885202	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+2Cl"	69.938804
"1028540"	541.608002	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2Cl"	69.938804
"1247024"	1092.196085	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Br"	78.918885
"1317502"	1094.252072	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Cl+HCOOH"	80.974872
"1332443"	1116.234029	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Cl+NaCOOH"	102.956829
"922046"	1126.262786	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M-H+CF3COOH"	112.985586
"1299114"	1162.239464	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Cl+CF3COOH"	148.962264
"1380194"	978.264524	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H-2H2O"	-35.012676
"1391856"	996.2745	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H-H2O"	-17.0027
"288989"	2027.561676	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+H"	1.007276
"682871"	3040.838876	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+H"	1.007276
"1359584"	1014.284476	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H"	1.007276
"140012"	1014.284476	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+2H"	2.014552
"578232"	1520.923076	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+2H"	2.014552
"1052676"	507.645876	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2H"	2.014552
"218948"	676.525409333333	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+3H"	3.021828
"656322"	1014.284476	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+3H"	3.021828
"1177489"	338.766342666667	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+3H"	3.021828
"438451"	2044.588223	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+NH4"	18.033823
"800419"	3057.865423	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+NH4"	18.033823
"1693956"	1031.311023	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+NH4"	18.033823
"337858"	1022.7977495	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+H+NH4"	19.041099
"733559"	1529.4363495	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+H+NH4"	19.041099
"1489568"	516.1591495	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H+NH4"	19.041099
"404968"	2049.543618	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+Na"	22.989218
"764869"	3062.820818	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+Na"	22.989218
"1613329"	1036.266418	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Na"	22.989218
"322636"	1025.275447	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+H+Na"	23.996494
"715787"	1531.914047	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+H+Na"	23.996494
"1465230"	518.636847	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H+Na"	23.996494
"1063216"	346.093656666667	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2H+Na"	25.00377
"1270000"	1046.310686	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+CH3OH+H"	33.033486
"389668"	2065.517558	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+K"	38.963158
"753952"	3078.794758	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+K"	38.963158
"1553453"	1052.240358	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+K"	38.963158
"312815"	1033.262417	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+H+K"	39.970434
"706335"	1539.901017	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+H+K"	39.970434
"1460885"	526.623817	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H+K"	39.970434
"247664"	2068.588226	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+ACN+H"	42.033826
"1225119"	1055.311026	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+ACN+H"	42.033826
"1209364"	528.159151	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+ACN+2H"	43.041102
"204033"	2071.52556	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+2Na-H"	44.97116
"643913"	3084.80276	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+2Na-H"	44.97116
"1146895"	1058.24836	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2Na-H"	44.97116
"188475"	1036.266418	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+2Na"	45.978436
"628509"	1542.905018	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+2Na"	45.978436
"1129593"	529.627818	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2Na"	45.978436
"1413616"	353.420970666667	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H+2Na"	46.985712
"1445205"	1060.289946	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H+HCOOH"	47.012746
"235058"	1041.29944	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+3H2O+2H"	56.04448
"1523726"	1074.34199	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+IsoProp+H"	61.06479
"423531"	1044.253388	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+Na+K"	61.952376
"785567"	1550.891988	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+Na+K"	61.952376
"1680994"	537.614788	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Na+K"	61.952376
"266051"	2090.570168	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+ACN+Na"	64.015768
"1238397"	1077.292968	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+ACN+Na"	64.015768
"1727649"	1077.316493	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+NH4+HCOOH"	64.039293
"1193248"	360.748284666667	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+3Na"	68.967654
"1664964"	1082.271888	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Na+HCOOH"	68.994688
"170853"	2103.47344	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+2K-H"	76.91904
"610050"	3116.75064	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+2K-H"	76.91904
"1097475"	1090.19624	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2K-H"	76.91904
"154657"	1052.240358	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"2M+2K"	77.926316
"595672"	1558.878958	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"3M+2K"	77.926316
"1083461"	545.601758	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2K"	77.926316
"1114121"	1092.210792	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2K+H"	78.933592
"1350138"	1092.298407	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+DMSO+H"	79.021207
"1019030"	1096.337576	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2ACN+H"	83.060376
"1539229"	1097.331208	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+IsoProp+Na+H"	84.054008
"1004341"	548.672426	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+2ACN+2H"	84.067652
"1602128"	1098.245828	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+K+HCOOH"	84.968628
"1429364"	1128.277338	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+H+CF3COOH"	115.000138
"1162079"	569.185701	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+3ACN+2H"	125.094202
"1711266"	1145.303885	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+NH4+CF3COOH"	132.026685
"1644731"	1150.25928	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+Na+CF3COOH"	136.98208
"1584754"	1166.23322	"C16332"	"trans-2-Enoyl-OPC6-CoA"	"C37H58N7O18P3S"	"1013.2772"	"M+K+CF3COOH"	152.95602
"805279"	1031.2878	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M"	0
"988902"	1012.26941	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-H2O-H"	-19.01839
"76900"	686.517924	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M-3H"	-3.021828
"515365"	1030.280524	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M-3H"	-3.021828
"893169"	342.755324	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-3H"	-3.021828
"10286"	1030.280524	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M-2H"	-2.014552
"451304"	1545.924424	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M-2H"	-2.014552
"826920"	514.636624	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-2H"	-2.014552
"83631"	2061.568324	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M-H"	-1.007276
"522098"	3092.856124	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M-H"	-1.007276
"902084"	1030.280524	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-H"	-1.007276
"56463"	2078.594871	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M-2H+NH4"	16.019271
"492742"	3109.882671	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M-2H+NH4"	16.019271
"873827"	1047.307071	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-2H+NH4"	16.019271
"39538"	2083.550266	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M-2H+Na"	20.974666
"480191"	3114.838066	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M-2H+Na"	20.974666
"857992"	1052.262466	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-2H+Na"	20.974666
"1626434"	1052.262466	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Na-2H"	20.974666
"97496"	1048.268863	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M-H+Cl"	33.962126
"538149"	1563.912763	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M-H+Cl"	33.962126
"931664"	532.624963	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-H+Cl"	33.962126
"275691"	2097.545002	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+Cl"	34.969402
"669205"	3128.832802	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+Cl"	34.969402
"1279421"	1066.257202	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Cl"	34.969402
"19792"	2099.524206	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M-2H+K"	36.948606
"463726"	3130.812006	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M-2H+K"	36.948606
"838249"	1068.236406	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-2H+K"	36.948606
"1563927"	1068.236406	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+K-2H"	36.948606
"952901"	1076.285994	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-H+HCOOH"	44.998194
"371115"	2107.573801	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+HCOOH-H"	44.998201
"352813"	2121.589451	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+Hac-H"	59.013851
"1500551"	1090.301651	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Hac-H"	59.013851
"961899"	1098.267951	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-H+NaCOOH"	66.980151
"110180"	1066.257202	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+2Cl"	69.938804
"551828"	1581.901102	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+2Cl"	69.938804
"1028650"	550.613302	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2Cl"	69.938804
"1246404"	1110.206685	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Br"	78.918885
"1317975"	1112.262672	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Cl+HCOOH"	80.974872
"1334982"	1134.244629	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Cl+NaCOOH"	102.956829
"923613"	1144.273386	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M-H+CF3COOH"	112.985586
"1301776"	1180.250064	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Cl+CF3COOH"	148.962264
"1381641"	996.275124	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H-2H2O"	-35.012676
"1392694"	1014.2851	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H-H2O"	-17.0027
"288006"	2063.582876	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+H"	1.007276
"677513"	3094.870676	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+H"	1.007276
"1356778"	1032.295076	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H"	1.007276
"134406"	1032.295076	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+2H"	2.014552
"578342"	1547.938976	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+2H"	2.014552
"1052384"	516.651176	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2H"	2.014552
"219062"	688.532476	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+3H"	3.021828
"656432"	1032.295076	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+3H"	3.021828
"1176744"	344.769876	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+3H"	3.021828
"439049"	2080.609423	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+NH4"	18.033823
"800287"	3111.897223	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+NH4"	18.033823
"1694066"	1049.321623	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+NH4"	18.033823
"336875"	1040.8083495	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+H+NH4"	19.041099
"732576"	1556.4522495	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+H+NH4"	19.041099
"1488585"	525.1644495	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H+NH4"	19.041099
"401798"	2085.564818	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+Na"	22.989218
"764979"	3116.852618	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+Na"	22.989218
"1613439"	1054.277018	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Na"	22.989218
"320923"	1043.286047	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+H+Na"	23.996494
"713344"	1558.929947	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+H+Na"	23.996494
"1464976"	527.642147	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H+Na"	23.996494
"1062597"	352.09719	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2H+Na"	25.00377
"1269381"	1064.321286	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+CH3OH+H"	33.033486
"389778"	2101.538758	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+K"	38.963158
"752483"	3132.826558	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+K"	38.963158
"1548096"	1070.250958	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+K"	38.963158
"308552"	1051.273017	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+H+K"	39.970434
"705350"	1566.916917	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+H+K"	39.970434
"1459901"	535.629117	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H+K"	39.970434
"246681"	2104.609426	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+ACN+H"	42.033826
"1223402"	1073.321626	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+ACN+H"	42.033826
"1205095"	537.164451	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+ACN+2H"	43.041102
"197237"	2107.54676	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+2Na-H"	44.97116
"642271"	3138.83456	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+2Na-H"	44.97116
"1146860"	1076.25896	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2Na-H"	44.97116
"188291"	1054.277018	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+2Na"	45.978436
"628231"	1569.920918	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+2Na"	45.978436
"1129577"	538.633118	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2Na"	45.978436
"1414048"	359.424504	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H+2Na"	46.985712
"1445234"	1078.300546	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H+HCOOH"	47.012746
"235372"	1059.31004	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+3H2O+2H"	56.04448
"1523472"	1092.35259	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+IsoProp+H"	61.06479
"423884"	1062.263988	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+Na+K"	61.952376
"784763"	1577.907888	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+Na+K"	61.952376
"1680619"	546.620088	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Na+K"	61.952376
"266525"	2126.591368	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+ACN+Na"	64.015768
"1240207"	1095.303568	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+ACN+Na"	64.015768
"1728206"	1095.327093	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+NH4+HCOOH"	64.039293
"1193114"	366.751818	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+3Na"	68.967654
"1664828"	1100.282488	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Na+HCOOH"	68.994688
"172053"	2139.49464	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+2K-H"	76.91904
"610884"	3170.78244	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+2K-H"	76.91904
"1097585"	1108.20684	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2K-H"	76.91904
"155373"	1070.250958	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"2M+2K"	77.926316
"593229"	1585.894858	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"3M+2K"	77.926316
"1082840"	554.607058	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2K"	77.926316
"1112409"	1110.221392	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2K+H"	78.933592
"1348425"	1110.309007	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+DMSO+H"	79.021207
"1015861"	1114.348176	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2ACN+H"	83.060376
"1539420"	1115.341808	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+IsoProp+Na+H"	84.054008
"1005427"	557.677726	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+2ACN+2H"	84.067652
"1602114"	1116.256428	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+K+HCOOH"	84.968628
"1429474"	1146.287938	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+H+CF3COOH"	115.000138
"1162432"	578.191001	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+3ACN+2H"	125.094202
"1712348"	1163.314485	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+NH4+CF3COOH"	132.026685
"1643748"	1168.26988	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+Na+CF3COOH"	136.98208
"1584864"	1184.24382	"C16333"	"3-Hydroxy-OPC6-CoA"	"C37H60N7O19P3S"	"1031.2878"	"M+K+CF3COOH"	152.95602
"805389"	1029.2721	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M"	0
"982202"	1010.25371	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-H2O-H"	-19.01839
"72633"	685.174124	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M-3H"	-3.021828
"515475"	1028.264824	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M-3H"	-3.021828
"895224"	342.083424	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-3H"	-3.021828
"11125"	1028.264824	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M-2H"	-2.014552
"451050"	1542.900874	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M-2H"	-2.014552
"829219"	513.628774	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-2H"	-2.014552
"89206"	2057.536924	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M-H"	-1.007276
"524394"	3086.809024	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M-H"	-1.007276
"902194"	1028.264824	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-H"	-1.007276
"57302"	2074.563471	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M-2H+NH4"	16.019271
"497957"	3103.835571	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M-2H+NH4"	16.019271
"877582"	1045.291371	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-2H+NH4"	16.019271
"43660"	2079.518866	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M-2H+Na"	20.974666
"483584"	3108.790966	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M-2H+Na"	20.974666
"855915"	1050.246766	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-2H+Na"	20.974666
"1626544"	1050.246766	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Na-2H"	20.974666
"108178"	1046.253163	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M-H+Cl"	33.962126
"539352"	1560.889213	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M-H+Cl"	33.962126
"935054"	531.617113	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-H+Cl"	33.962126
"275801"	2093.513602	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+Cl"	34.969402
"669315"	3122.785702	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+Cl"	34.969402
"1279531"	1064.241502	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Cl"	34.969402
"26463"	2095.492806	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M-2H+K"	36.948606
"467117"	3124.764906	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M-2H+K"	36.948606
"841639"	1066.220706	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-2H+K"	36.948606
"1561852"	1066.220706	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+K-2H"	36.948606
"954106"	1074.270294	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-H+HCOOH"	44.998194
"369039"	2103.542401	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+HCOOH-H"	44.998201
"351466"	2117.558051	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+Hac-H"	59.013851
"1503942"	1088.285951	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Hac-H"	59.013851
"962372"	1096.252251	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-H+NaCOOH"	66.980151
"111278"	1064.241502	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+2Cl"	69.938804
"550842"	1578.877552	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+2Cl"	69.938804
"1029854"	549.605452	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2Cl"	69.938804
"1247242"	1108.190985	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Br"	78.918885
"1316988"	1110.246972	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Cl+HCOOH"	80.974872
"1330472"	1132.228929	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Cl+NaCOOH"	102.956829
"921532"	1142.257686	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M-H+CF3COOH"	112.985586
"1296053"	1178.234364	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Cl+CF3COOH"	148.962264
"1376401"	994.259424	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H-2H2O"	-35.012676
"1385148"	1012.2694	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H-H2O"	-17.0027
"288116"	2059.551476	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+H"	1.007276
"676284"	3088.823576	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+H"	1.007276
"1356888"	1030.279376	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H"	1.007276
"128683"	1030.279376	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+2H"	2.014552
"575900"	1544.915426	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+2H"	2.014552
"1044699"	515.643326	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2H"	2.014552
"218939"	687.188676	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+3H"	3.021828
"658728"	1030.279376	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+3H"	3.021828
"1178277"	344.097976	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+3H"	3.021828
"439648"	2076.578023	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+NH4"	18.033823
"800156"	3105.850123	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+NH4"	18.033823
"1695758"	1047.305923	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+NH4"	18.033823
"340265"	1038.7926495	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+H+NH4"	19.041099
"733780"	1553.4286995	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+H+NH4"	19.041099
"1486505"	524.1565995	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H+NH4"	19.041099
"404095"	2081.533418	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+Na"	22.989218
"765090"	3110.805518	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+Na"	22.989218
"1613184"	1052.261318	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Na"	22.989218
"321033"	1041.270347	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+H+Na"	23.996494
"714547"	1555.906397	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+H+Na"	23.996494
"1466543"	526.634297	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H+Na"	23.996494
"1063800"	351.42529	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2H+Na"	25.00377
"1268760"	1062.305586	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+CH3OH+H"	33.033486
"388795"	2097.507358	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+K"	38.963158
"752592"	3126.779458	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+K"	38.963158
"1550389"	1068.235258	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+K"	38.963158
"309755"	1049.257317	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+H+K"	39.970434
"701079"	1563.893367	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+H+K"	39.970434
"1459647"	534.621267	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H+K"	39.970434
"247156"	2100.578026	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+ACN+H"	42.033826
"1222781"	1071.305926	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+ACN+H"	42.033826
"1204841"	536.156601	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+ACN+2H"	43.041102
"201724"	2103.51536	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+2Na-H"	44.97116
"643730"	3132.78746	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+2Na-H"	44.97116
"1146825"	1074.24326	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2Na-H"	44.97116
"186747"	1052.261318	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+2Na"	45.978436
"625823"	1566.897368	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+2Na"	45.978436
"1128593"	537.625268	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2Na"	45.978436
"1413593"	358.752604	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H+2Na"	46.985712
"1445462"	1076.284846	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H+HCOOH"	47.012746
"235036"	1057.29434	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+3H2O+2H"	56.04448
"1523905"	1090.33689	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+IsoProp+H"	61.06479
"423510"	1060.248288	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+Na+K"	61.952376
"784992"	1574.884338	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+Na+K"	61.952376
"1679031"	545.612238	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Na+K"	61.952376
"266639"	2122.559968	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+ACN+Na"	64.015768
"1240441"	1093.287868	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+ACN+Na"	64.015768
"1727632"	1093.311393	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+NH4+HCOOH"	64.039293
"1192496"	366.079918	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+3Na"	68.967654
"1664575"	1098.266788	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Na+HCOOH"	68.994688
"172287"	2135.46324	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+2K-H"	76.91904
"611605"	3164.73534	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+2K-H"	76.91904
"1096848"	1106.19114	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2K-H"	76.91904
"153784"	1068.235258	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"2M+2K"	77.926316
"594433"	1582.871308	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"3M+2K"	77.926316
"1081861"	553.599208	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2K"	77.926316
"1115071"	1108.205692	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2K+H"	78.933592
"1348175"	1108.293307	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+DMSO+H"	79.021207
"1019620"	1112.332476	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2ACN+H"	83.060376
"1538476"	1113.326108	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+IsoProp+Na+H"	84.054008
"1005537"	556.669876	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+2ACN+2H"	84.067652
"1602103"	1114.240728	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+K+HCOOH"	84.968628
"1429464"	1144.272238	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+H+CF3COOH"	115.000138
"1162183"	577.183151	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+3ACN+2H"	125.094202
"1711124"	1161.298785	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+NH4+CF3COOH"	132.026685
"1643858"	1166.25418	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+Na+CF3COOH"	136.98208
"1584974"	1182.22812	"C16334"	"3-Oxo-OPC6-CoA"	"C37H58N7O19P3S"	"1029.2721"	"M+K+CF3COOH"	152.95602
"813154"	987.2615	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M"	0
"982312"	968.24311	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-H2O-H"	-19.01839
"74931"	657.167057333333	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M-3H"	-3.021828
"517048"	986.254224	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M-3H"	-3.021828
"892295"	328.079890666667	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-3H"	-3.021828
"11599"	986.254224	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M-2H"	-2.014552
"449336"	1479.884974	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M-2H"	-2.014552
"827137"	492.623474	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-2H"	-2.014552
"84941"	1973.515724	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M-H"	-1.007276
"521341"	2960.777224	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M-H"	-1.007276
"900116"	986.254224	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-H"	-1.007276
"57777"	1990.542271	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M-2H+NH4"	16.019271
"499161"	2977.803771	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M-2H+NH4"	16.019271
"877327"	1003.280771	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-2H+NH4"	16.019271
"44864"	1995.497666	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M-2H+Na"	20.974666
"485151"	2982.759166	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M-2H+Na"	20.974666
"852745"	1008.236166	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-2H+Na"	20.974666
"1627747"	1008.236166	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Na-2H"	20.974666
"107557"	1004.242563	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M-H+Cl"	33.962126
"539462"	1497.873313	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M-H+Cl"	33.962126
"935164"	510.611813	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-H+Cl"	33.962126
"275911"	2009.492402	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+Cl"	34.969402
"669425"	2996.753902	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+Cl"	34.969402
"1279641"	1022.230902	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Cl"	34.969402
"25480"	2011.471606	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M-2H+K"	36.948606
"460666"	2998.733106	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M-2H+K"	36.948606
"837374"	1024.210106	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-2H+K"	36.948606
"1565241"	1024.210106	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+K-2H"	36.948606
"953121"	1032.259694	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-H+HCOOH"	44.998194
"369149"	2019.521201	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+HCOOH-H"	44.998201
"348293"	2033.536851	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+Hac-H"	59.013851
"1495303"	1046.275351	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Hac-H"	59.013851
"960659"	1054.241651	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-H+NaCOOH"	66.980151
"111748"	1022.230902	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+2Cl"	69.938804
"551073"	1515.861652	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+2Cl"	69.938804
"1028871"	528.600152	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2Cl"	69.938804
"1246623"	1066.180385	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Br"	78.918885
"1318921"	1068.236372	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Cl+HCOOH"	80.974872
"1329489"	1090.218329	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Cl+NaCOOH"	102.956829
"921642"	1100.247086	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M-H+CF3COOH"	112.985586
"1296163"	1136.223764	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Cl+CF3COOH"	148.962264
"1375418"	952.248824	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H-2H2O"	-35.012676
"1384893"	970.2588	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H-H2O"	-17.0027
"286038"	1975.530276	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+H"	1.007276
"677729"	2962.791776	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+H"	1.007276
"1356998"	988.268776	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H"	1.007276
"128791"	988.268776	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+2H"	2.014552
"569449"	1481.899526	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+2H"	2.014552
"1044809"	494.638026	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2H"	2.014552
"212710"	659.181609333333	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+3H"	3.021828
"655918"	988.268776	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+3H"	3.021828
"1174044"	330.094442666667	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+3H"	3.021828
"436958"	1992.556823	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+NH4"	18.033823
"797954"	2979.818323	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+NH4"	18.033823
"1693192"	1005.295323	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+NH4"	18.033823
"341467"	996.7820495	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+H+NH4"	19.041099
"733890"	1490.4127995	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+H+NH4"	19.041099
"1488801"	503.1512995	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H+NH4"	19.041099
"404205"	1997.512218	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+Na"	22.989218
"768481"	2984.773718	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+Na"	22.989218
"1616574"	1010.250718	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Na"	22.989218
"323330"	999.259747	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+H+Na"	23.996494
"714657"	1492.890497	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+H+Na"	23.996494
"1468475"	505.628997	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H+Na"	23.996494
"1062816"	337.421756666667	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2H+Na"	25.00377
"1271422"	1020.294986	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+CH3OH+H"	33.033486
"391092"	2013.486158	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+K"	38.963158
"752820"	3000.747658	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+K"	38.963158
"1550499"	1026.224658	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+K"	38.963158
"310955"	1007.246717	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+H+K"	39.970434
"701189"	1500.877467	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+H+K"	39.970434
"1455745"	513.615967	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H+K"	39.970434
"244712"	2016.556826	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+ACN+H"	42.033826
"1220702"	1029.295326	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+ACN+H"	42.033826
"1205679"	515.151301	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+ACN+2H"	43.041102
"201713"	2019.49416	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+2Na-H"	44.97116
"643722"	3006.75566	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+2Na-H"	44.97116
"1146006"	1032.23266	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2Na-H"	44.97116
"187710"	1010.250718	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+2Na"	45.978436
"627760"	1503.881468	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+2Na"	45.978436
"1128340"	516.619968	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2Na"	45.978436
"1407123"	344.749070666667	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H+2Na"	46.985712
"1442524"	1034.274246	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H+HCOOH"	47.012746
"235017"	1015.28374	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+3H2O+2H"	56.04448
"1523808"	1048.32629	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+IsoProp+H"	61.06479
"420696"	1018.237688	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+Na+K"	61.952376
"782786"	1511.868438	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+Na+K"	61.952376
"1680596"	524.606938	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Na+K"	61.952376
"265534"	2038.538768	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+ACN+Na"	64.015768
"1239945"	1051.277268	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+ACN+Na"	64.015768
"1727253"	1051.300793	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+NH4+HCOOH"	64.039293
"1193214"	352.076384666667	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+3Na"	68.967654
"1663594"	1056.256188	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Na+HCOOH"	68.994688
"171061"	2051.44204	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+2K-H"	76.91904
"611472"	3038.70354	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+2K-H"	76.91904
"1097443"	1064.18054	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2K-H"	76.91904
"153527"	1026.224658	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"2M+2K"	77.926316
"595271"	1519.855408	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"3M+2K"	77.926316
"1081606"	532.593908	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2K"	77.926316
"1114452"	1066.195092	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2K+H"	78.933592
"1349378"	1066.282707	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+DMSO+H"	79.021207
"1018636"	1070.321876	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2ACN+H"	83.060376
"1539320"	1071.315508	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+IsoProp+Na+H"	84.054008
"1005162"	535.664576	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+2ACN+2H"	84.067652
"1601971"	1072.230128	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+K+HCOOH"	84.968628
"1429453"	1102.261638	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+H+CF3COOH"	115.000138
"1162172"	556.177851	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+3ACN+2H"	125.094202
"1711477"	1119.288185	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+NH4+CF3COOH"	132.026685
"1643968"	1124.24358	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+Na+CF3COOH"	136.98208
"1585084"	1140.21752	"C16335"	"OPC4-CoA"	"C35H56N7O18P3S"	"987.2615"	"M+K+CF3COOH"	152.95602
"805609"	985.2459	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M"	0
"975495"	966.22751	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-H2O-H"	-19.01839
"73946"	655.823324	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M-3H"	-3.021828
"517765"	984.238624	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M-3H"	-3.021828
"893135"	327.408024	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-3H"	-3.021828
"12072"	984.238624	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M-2H"	-2.014552
"449446"	1476.861574	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M-2H"	-2.014552
"828341"	491.615674	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-2H"	-2.014552
"87238"	1969.484524	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M-H"	-1.007276
"526796"	2954.730424	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M-H"	-1.007276
"903504"	984.238624	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-H"	-1.007276
"55694"	1986.511071	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M-2H+NH4"	16.019271
"499999"	2971.756971	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M-2H+NH4"	16.019271
"877682"	1001.265171	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-2H+NH4"	16.019271
"45823"	1991.466466	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M-2H+Na"	20.974666
"485625"	2976.712366	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M-2H+Na"	20.974666
"862332"	1006.220566	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-2H+Na"	20.974666
"1627857"	1006.220566	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Na-2H"	20.974666
"107667"	1002.226963	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M-H+Cl"	33.962126
"545039"	1494.849913	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M-H+Cl"	33.962126
"938554"	509.604013	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-H+Cl"	33.962126
"276021"	2005.461202	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+Cl"	34.969402
"669535"	2990.707102	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+Cl"	34.969402
"1277564"	1020.215302	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Cl"	34.969402
"25590"	2007.440406	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M-2H+K"	36.948606
"459682"	2992.686306	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M-2H+K"	36.948606
"840764"	1022.194506	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-2H+K"	36.948606
"1564258"	1022.194506	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+K-2H"	36.948606
"953231"	1030.244094	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-H+HCOOH"	44.998194
"369259"	2015.490001	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+HCOOH-H"	44.998201
"348770"	2029.505651	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+Hac-H"	59.013851
"1498695"	1044.259751	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Hac-H"	59.013851
"961495"	1052.226051	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-H+NaCOOH"	66.980151
"112587"	1020.215302	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+2Cl"	69.938804
"551426"	1512.838252	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+2Cl"	69.938804
"1030074"	527.592352	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2Cl"	69.938804
"1246733"	1064.164785	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Br"	78.918885
"1317209"	1066.220772	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Cl+HCOOH"	80.974872
"1330692"	1088.202729	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Cl+NaCOOH"	102.956829
"919565"	1098.231486	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M-H+CF3COOH"	112.985586
"1296273"	1134.208164	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Cl+CF3COOH"	148.962264
"1376621"	950.233224	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H-2H2O"	-35.012676
"1385367"	968.2432	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H-H2O"	-17.0027
"286512"	1971.499076	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+H"	1.007276
"676747"	2956.744976	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+H"	1.007276
"1357108"	986.253176	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H"	1.007276
"128537"	986.253176	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+2H"	2.014552
"567005"	1478.876126	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+2H"	2.014552
"1044919"	493.630226	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2H"	2.014552
"212820"	657.837876	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+3H"	3.021828
"653474"	986.253176	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+3H"	3.021828
"1173788"	329.422576	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+3H"	3.021828
"431591"	1988.525623	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+NH4"	18.033823
"798060"	2973.771523	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+NH4"	18.033823
"1693296"	1003.279723	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+NH4"	18.033823
"342668"	994.7664495	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+H+NH4"	19.041099
"735093"	1487.3893995	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+H+NH4"	19.041099
"1488911"	502.1434995	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H+NH4"	19.041099
"403219"	1993.481018	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+Na"	22.989218
"766403"	2978.726918	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+Na"	22.989218
"1615591"	1008.235118	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Na"	22.989218
"322343"	997.244147	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+H+Na"	23.996494
"716953"	1489.867097	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+H+Na"	23.996494
"1468585"	504.621197	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H+Na"	23.996494
"1064017"	336.74989	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2H+Na"	25.00377
"1270073"	1018.279386	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+CH3OH+H"	33.033486
"391565"	2009.454958	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+K"	38.963158
"752565"	2994.700858	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+K"	38.963158
"1551703"	1024.209058	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+K"	38.963158
"313010"	1005.231117	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+H+K"	39.970434
"704579"	1497.854067	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+H+K"	39.970434
"1456219"	512.608167	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H+K"	39.970434
"248102"	2012.525626	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+ACN+H"	42.033826
"1222271"	1027.279726	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+ACN+H"	42.033826
"1204695"	514.143501	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+ACN+2H"	43.041102
"203036"	2015.46296	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+2Na-H"	44.97116
"643989"	3000.70886	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+2Na-H"	44.97116
"1146112"	1030.21706	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2Na-H"	44.97116
"187820"	1008.235118	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+2Na"	45.978436
"627386"	1500.858068	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+2Na"	45.978436
"1128813"	515.612168	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2Na"	45.978436
"1407233"	344.077204	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H+2Na"	46.985712
"1442998"	1032.258646	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H+HCOOH"	47.012746
"234152"	1013.26814	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+3H2O+2H"	56.04448
"1522214"	1046.31069	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+IsoProp+H"	61.06479
"423358"	1016.222088	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+Na+K"	61.952376
"782895"	1508.845038	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+Na+K"	61.952376
"1680098"	523.599138	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Na+K"	61.952376
"266130"	2034.507568	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+ACN+Na"	64.015768
"1239202"	1049.261668	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+ACN+Na"	64.015768
"1727364"	1049.285193	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+NH4+HCOOH"	64.039293
"1191987"	351.404518	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+3Na"	68.967654
"1663946"	1054.240588	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Na+HCOOH"	68.994688
"169834"	2047.41084	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+2K-H"	76.91904
"611095"	3032.65674	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+2K-H"	76.91904
"1097917"	1062.16494	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2K-H"	76.91904
"154367"	1024.209058	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"2M+2K"	77.926316
"595017"	1516.832008	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"3M+2K"	77.926316
"1082811"	531.586108	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2K"	77.926316
"1113470"	1064.179492	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2K+H"	78.933592
"1348760"	1064.267107	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+DMSO+H"	79.021207
"1018382"	1068.306276	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2ACN+H"	83.060376
"1538943"	1069.299908	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+IsoProp+Na+H"	84.054008
"1004175"	534.656776	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+2ACN+2H"	84.067652
"1602628"	1070.214528	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+K+HCOOH"	84.968628
"1429319"	1100.246038	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+H+CF3COOH"	115.000138
"1162160"	555.170051	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+3ACN+2H"	125.094202
"1710615"	1117.272585	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+NH4+CF3COOH"	132.026685
"1644078"	1122.22798	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+Na+CF3COOH"	136.98208
"1585194"	1138.20192	"C16336"	"trans-2-Enoyl-OPC4-CoA"	"C35H54N7O18P3S"	"985.2459"	"M+K+CF3COOH"	152.95602
"805719"	1003.2565	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M"	0
"977427"	984.23811	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-H2O-H"	-19.01839
"74056"	667.830390666667	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M-3H"	-3.021828
"517631"	1002.249224	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M-3H"	-3.021828
"892516"	333.411557333333	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-3H"	-3.021828
"13275"	1002.249224	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M-2H"	-2.014552
"451742"	1503.877474	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M-2H"	-2.014552
"830637"	500.620974	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-2H"	-2.014552
"87348"	2005.505724	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M-H"	-1.007276
"529092"	3008.762224	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M-H"	-1.007276
"905800"	1002.249224	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-H"	-1.007276
"57988"	2022.532271	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M-2H+NH4"	16.019271
"494272"	3025.788771	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M-2H+NH4"	16.019271
"878273"	1019.275771	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-2H+NH4"	16.019271
"38883"	2027.487666	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M-2H+Na"	20.974666
"482817"	3030.744166	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M-2H+Na"	20.974666
"859526"	1024.231166	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-2H+Na"	20.974666
"1627967"	1024.231166	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Na-2H"	20.974666
"106684"	1020.237563	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M-H+Cl"	33.962126
"545149"	1521.865813	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M-H+Cl"	33.962126
"938664"	518.609313	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-H+Cl"	33.962126
"277224"	2041.482402	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+Cl"	34.969402
"670738"	3044.738902	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+Cl"	34.969402
"1280954"	1038.225902	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Cl"	34.969402
"24606"	2043.461606	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M-2H+K"	36.948606
"457605"	3046.718106	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M-2H+K"	36.948606
"838688"	1040.205106	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-2H+K"	36.948606
"1561446"	1040.205106	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+K-2H"	36.948606
"947141"	1048.254694	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-H+HCOOH"	44.998194
"369367"	2051.511201	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+HCOOH-H"	44.998201
"353251"	2065.526851	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+Hac-H"	59.013851
"1496980"	1062.270351	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Hac-H"	59.013851
"961969"	1070.236651	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-H+NaCOOH"	66.980151
"111607"	1038.225902	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+2Cl"	69.938804
"551536"	1539.854152	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+2Cl"	69.938804
"1031277"	536.597652	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2Cl"	69.938804
"1245020"	1082.175385	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Br"	78.918885
"1317319"	1084.231372	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Cl+HCOOH"	80.974872
"1330802"	1106.213329	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Cl+NaCOOH"	102.956829
"920769"	1116.242086	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M-H+CF3COOH"	112.985586
"1296383"	1152.218764	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Cl+CF3COOH"	148.962264
"1375638"	968.243824	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H-2H2O"	-35.012676
"1385113"	986.2538	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H-H2O"	-17.0027
"285530"	2007.520276	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+H"	1.007276
"677221"	3010.776776	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+H"	1.007276
"1358311"	1004.263776	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H"	1.007276
"127919"	1004.263776	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+2H"	2.014552
"567113"	1505.892026	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+2H"	2.014552
"1046122"	502.635526	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2H"	2.014552
"209650"	669.844942666667	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+3H"	3.021828
"652490"	1004.263776	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+3H"	3.021828
"1168429"	335.426109333333	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+3H"	3.021828
"430606"	2024.546823	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+NH4"	18.033823
"790506"	3027.803323	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+NH4"	18.033823
"1684654"	1021.290323	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+NH4"	18.033823
"335116"	1012.7770495	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+H+NH4"	19.041099
"733013"	1514.4052995	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+H+NH4"	19.041099
"1485740"	511.1487995	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H+NH4"	19.041099
"404422"	2029.502218	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+Na"	22.989218
"766510"	3032.758718	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+Na"	22.989218
"1615699"	1026.245718	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Na"	22.989218
"321360"	1015.254747	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+H+Na"	23.996494
"718156"	1516.882997	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+H+Na"	23.996494
"1466507"	513.626497	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H+Na"	23.996494
"1063034"	342.753423333333	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2H+Na"	25.00377
"1265808"	1036.289986	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+CH3OH+H"	33.033486
"387665"	2045.476158	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+K"	38.963158
"751945"	3048.732658	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+K"	38.963158
"1545248"	1042.219658	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+K"	38.963158
"304613"	1023.241717	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+H+K"	39.970434
"695939"	1524.869967	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+H+K"	39.970434
"1458510"	521.613467	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H+K"	39.970434
"248204"	2048.546826	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+ACN+H"	42.033826
"1221285"	1045.290326	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+ACN+H"	42.033826
"1202616"	523.148801	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+ACN+2H"	43.041102
"198769"	2051.48416	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+2Na-H"	44.97116
"640518"	3054.74066	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+2Na-H"	44.97116
"1146211"	1048.22766	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2Na-H"	44.97116
"187314"	1026.245718	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+2Na"	45.978436
"625417"	1527.873968	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+2Na"	45.978436
"1126007"	524.617468	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2Na"	45.978436
"1405154"	350.080737333333	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H+2Na"	46.985712
"1441648"	1050.269246	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H+HCOOH"	47.012746
"233898"	1031.27874	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+3H2O+2H"	56.04448
"1522689"	1064.32129	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+IsoProp+H"	61.06479
"422376"	1034.232688	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+Na+K"	61.952376
"783734"	1535.860938	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+Na+K"	61.952376
"1680936"	532.604438	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Na+K"	61.952376
"266240"	2070.528768	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+ACN+Na"	64.015768
"1239310"	1067.272268	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+ACN+Na"	64.015768
"1727349"	1067.295793	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+NH4+HCOOH"	64.039293
"1193070"	357.408051333333	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+3Na"	68.967654
"1663447"	1072.251188	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Na+HCOOH"	68.994688
"170670"	2083.43204	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+2K-H"	76.91904
"610233"	3086.68854	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+2K-H"	76.91904
"1098384"	1080.17554	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2K-H"	76.91904
"155689"	1042.219658	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"2M+2K"	77.926316
"591478"	1543.847908	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"3M+2K"	77.926316
"1082798"	540.591408	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2K"	77.926316
"1112484"	1082.190092	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2K+H"	78.933592
"1348504"	1082.277707	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+DMSO+H"	79.021207
"1018491"	1086.316876	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2ACN+H"	83.060376
"1538806"	1087.310508	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+IsoProp+Na+H"	84.054008
"1004648"	543.662076	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+2ACN+2H"	84.067652
"1602395"	1088.225128	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+K+HCOOH"	84.968628
"1429065"	1118.256638	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+H+CF3COOH"	115.000138
"1161538"	564.175351	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+3ACN+2H"	125.094202
"1710361"	1135.283185	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+NH4+CF3COOH"	132.026685
"1644188"	1140.23858	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+Na+CF3COOH"	136.98208
"1585304"	1156.21252	"C16337"	"3-Hydroxy-OPC4-CoA"	"C35H56N7O19P3S"	"1003.2565"	"M+K+CF3COOH"	152.95602
"809109"	1001.2408	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M"	0
"976081"	982.22241	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-H2O-H"	-19.01839
"73073"	666.486590666667	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M-3H"	-3.021828
"518229"	1000.233524	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M-3H"	-3.021828
"893964"	332.739657333333	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-3H"	-3.021828
"11199"	1000.233524	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M-2H"	-2.014552
"452945"	1500.853924	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M-2H"	-2.014552
"829653"	499.613124	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-2H"	-2.014552
"87458"	2001.474324	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M-H"	-1.007276
"529202"	3002.715124	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M-H"	-1.007276
"902629"	1000.233524	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-H"	-1.007276
"53725"	2018.500871	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M-2H+NH4"	16.019271
"498756"	3019.741671	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M-2H+NH4"	16.019271
"876926"	1017.260071	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-2H+NH4"	16.019271
"41180"	2023.456266	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M-2H+Na"	20.974666
"484022"	3024.697066	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M-2H+Na"	20.974666
"862188"	1022.215466	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-2H+Na"	20.974666
"1631357"	1022.215466	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Na-2H"	20.974666
"105701"	1018.221863	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M-H+Cl"	33.962126
"541979"	1518.842263	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M-H+Cl"	33.962126
"938774"	517.601463	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-H+Cl"	33.962126
"276241"	2037.451002	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+Cl"	34.969402
"669755"	3038.691802	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+Cl"	34.969402
"1282158"	1036.210202	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Cl"	34.969402
"24716"	2039.430206	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M-2H+K"	36.948606
"460266"	3040.671006	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M-2H+K"	36.948606
"839162"	1038.189406	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-2H+K"	36.948606
"1563379"	1038.189406	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+K-2H"	36.948606
"947251"	1046.238994	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-H+HCOOH"	44.998194
"368384"	2047.479801	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+HCOOH-H"	44.998201
"352267"	2061.495451	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+Hac-H"	59.013851
"1495632"	1060.254651	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Hac-H"	59.013851
"960258"	1068.220951	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-H+NaCOOH"	66.980151
"110625"	1036.210202	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+2Cl"	69.938804
"551280"	1536.830602	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+2Cl"	69.938804
"1032116"	535.589802	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2Cl"	69.938804
"1245859"	1080.159685	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Br"	78.918885
"1318523"	1082.215672	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Cl+HCOOH"	80.974872
"1333099"	1104.197629	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Cl+NaCOOH"	102.956829
"919785"	1114.226386	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M-H+CF3COOH"	112.985586
"1297587"	1150.203064	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Cl+CF3COOH"	148.962264
"1374655"	966.228124	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H-2H2O"	-35.012676
"1384495"	984.2381	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H-H2O"	-17.0027
"285276"	2003.488876	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+H"	1.007276
"676968"	3004.729676	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+H"	1.007276
"1358421"	1002.248076	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H"	1.007276
"131309"	1002.248076	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+2H"	2.014552
"566496"	1502.868476	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+2H"	2.014552
"1042952"	501.627676	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2H"	2.014552
"207571"	668.501142666667	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+3H"	3.021828
"654787"	1002.248076	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+3H"	3.021828
"1168539"	334.754209333333	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+3H"	3.021828
"429623"	2020.515423	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+NH4"	18.033823
"791710"	3021.756223	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+NH4"	18.033823
"1685854"	1019.274623	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+NH4"	18.033823
"335227"	1010.7613495	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+H+NH4"	19.041099
"727647"	1511.3817495	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+H+NH4"	19.041099
"1489128"	510.1409495	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H+NH4"	19.041099
"407446"	2025.470818	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+Na"	22.989218
"765523"	3026.711618	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+Na"	22.989218
"1616781"	1024.230018	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Na"	22.989218
"320378"	1013.239047	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+H+Na"	23.996494
"718266"	1513.859447	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+H+Na"	23.996494
"1466617"	512.618647	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H+Na"	23.996494
"1063144"	342.081523333333	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2H+Na"	25.00377
"1268104"	1034.274286	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+CH3OH+H"	33.033486
"387775"	2041.444758	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+K"	38.963158
"753031"	3042.685558	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+K"	38.963158
"1547546"	1040.203958	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+K"	38.963158
"304723"	1021.226017	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+H+K"	39.970434
"694955"	1521.846417	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+H+K"	39.970434
"1456434"	520.605617	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H+K"	39.970434
"243940"	2044.515426	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+ACN+H"	42.033826
"1219931"	1043.274626	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+ACN+H"	42.033826
"1205277"	522.140951	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+ACN+2H"	43.041102
"202524"	2047.45276	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+2Na-H"	44.97116
"642815"	3048.69356	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+2Na-H"	44.97116
"1145716"	1046.21196	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2Na-H"	44.97116
"186701"	1024.230018	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+2Na"	45.978436
"626257"	1524.850418	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+2Na"	45.978436
"1128304"	523.609618	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2Na"	45.978436
"1408545"	349.408837333333	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H+2Na"	46.985712
"1441758"	1048.253546	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H+HCOOH"	47.012746
"235639"	1029.26304	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+3H2O+2H"	56.04448
"1524045"	1062.30559	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+IsoProp+H"	61.06479
"423579"	1032.216988	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+Na+K"	61.952376
"783846"	1532.837388	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+Na+K"	61.952376
"1678358"	531.596588	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Na+K"	61.952376
"266225"	2066.497368	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+ACN+Na"	64.015768
"1240516"	1065.256568	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+ACN+Na"	64.015768
"1727577"	1065.280093	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+NH4+HCOOH"	64.039293
"1193867"	356.736151333333	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+3Na"	68.967654
"1664287"	1070.235488	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Na+HCOOH"	68.994688
"172318"	2079.40064	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+2K-H"	76.91904
"612483"	3080.64144	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+2K-H"	76.91904
"1097400"	1078.15984	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2K-H"	76.91904
"155920"	1040.203958	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"2M+2K"	77.926316
"593775"	1540.824358	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"3M+2K"	77.926316
"1079748"	539.583558	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2K"	77.926316
"1112595"	1080.174392	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2K+H"	78.933592
"1349343"	1080.262007	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+DMSO+H"	79.021207
"1019939"	1084.301176	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2ACN+H"	83.060376
"1538678"	1085.294808	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+IsoProp+Na+H"	84.054008
"1005370"	542.654226	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+2ACN+2H"	84.067652
"1602724"	1086.209428	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+K+HCOOH"	84.968628
"1429743"	1116.240938	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+H+CF3COOH"	115.000138
"1160918"	563.167501	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+3ACN+2H"	125.094202
"1711929"	1133.267485	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+NH4+CF3COOH"	132.026685
"1646485"	1138.22288	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+Na+CF3COOH"	136.98208
"1585414"	1154.19682	"C16338"	"3-Oxo-OPC4-CoA"	"C35H54N7O19P3S"	"1001.2408"	"M+K+CF3COOH"	152.95602
"805939"	959.2302	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M"	0
"976190"	940.21181	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-H2O-H"	-19.01839
"70996"	638.479524	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M-3H"	-3.021828
"516392"	958.222924	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M-3H"	-3.021828
"890545"	318.736124	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-3H"	-3.021828
"10216"	958.222924	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M-2H"	-2.014552
"449774"	1437.838024	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M-2H"	-2.014552
"823202"	478.607824	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-2H"	-2.014552
"85381"	1917.453124	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M-H"	-1.007276
"523847"	2876.683324	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M-H"	-1.007276
"902739"	958.222924	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-H"	-1.007276
"52742"	1934.479671	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M-2H+NH4"	16.019271
"493399"	2893.709871	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M-2H+NH4"	16.019271
"875578"	975.249471	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-2H+NH4"	16.019271
"41290"	1939.435066	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M-2H+Na"	20.974666
"481944"	2898.665266	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M-2H+Na"	20.974666
"860840"	980.204866	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-2H+Na"	20.974666
"1628187"	980.204866	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Na-2H"	20.974666
"104718"	976.211263	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M-H+Cl"	33.962126
"542089"	1455.826363	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M-H+Cl"	33.962126
"932324"	496.596163	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-H+Cl"	33.962126
"274164"	1953.429802	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+Cl"	34.969402
"669865"	2912.660002	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+Cl"	34.969402
"1274735"	994.199602	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Cl"	34.969402
"20816"	1955.409006	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M-2H+K"	36.948606
"456486"	2914.639206	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M-2H+K"	36.948606
"835262"	996.178806	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-2H+K"	36.948606
"1559844"	996.178806	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+K-2H"	36.948606
"943594"	1004.228394	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-H+HCOOH"	44.998194
"361403"	1963.458601	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+HCOOH-H"	44.998201
"349095"	1977.474251	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+Hac-H"	59.013851
"1492903"	1018.244051	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Hac-H"	59.013851
"958499"	1026.210351	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-H+NaCOOH"	66.980151
"110856"	994.199602	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+2Cl"	69.938804
"549966"	1473.814702	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+2Cl"	69.938804
"1030403"	514.584502	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2Cl"	69.938804
"1247062"	1038.149085	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Br"	78.918885
"1317904"	1040.205072	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Cl+HCOOH"	80.974872
"1333209"	1062.187029	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Cl+NaCOOH"	102.956829
"917709"	1072.215786	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M-H+CF3COOH"	112.985586
"1298791"	1108.192464	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Cl+CF3COOH"	148.962264
"1374765"	924.217524	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H-2H2O"	-35.012676
"1386064"	942.2275	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H-H2O"	-17.0027
"287573"	1919.467676	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+H"	1.007276
"678901"	2878.697876	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+H"	1.007276
"1358531"	960.237476	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H"	1.007276
"130326"	960.237476	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+2H"	2.014552
"566238"	1439.852576	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+2H"	2.014552
"1043062"	480.622376	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2H"	2.014552
"207681"	640.494076	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+3H"	3.021828
"652710"	960.237476	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+3H"	3.021828
"1165369"	320.750676	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+3H"	3.021828
"429733"	1936.494223	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+NH4"	18.033823
"789633"	2895.724423	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+NH4"	18.033823
"1683778"	977.264023	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+NH4"	18.033823
"330472"	968.7507495	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+H+NH4"	19.041099
"725570"	1448.3658495	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+H+NH4"	19.041099
"1478540"	489.1356495	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H+NH4"	19.041099
"406463"	1941.449618	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+Na"	22.989218
"761259"	2900.679818	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+Na"	22.989218
"1607168"	982.219418	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Na"	22.989218
"320488"	971.228447	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+H+Na"	23.996494
"718376"	1450.843547	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+H+Na"	23.996494
"1463447"	491.613347	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H+Na"	23.996494
"1064347"	328.07799	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2H+Na"	25.00377
"1266028"	992.263686	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+CH3OH+H"	33.033486
"387885"	1957.423558	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+K"	38.963158
"749978"	2916.653758	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+K"	38.963158
"1547656"	998.193358	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+K"	38.963158
"302646"	979.215417	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+H+K"	39.970434
"693972"	1458.830517	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+H+K"	39.970434
"1454358"	499.600317	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H+K"	39.970434
"242957"	1960.494226	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+ACN+H"	42.033826
"1217855"	1001.264026	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+ACN+H"	42.033826
"1207210"	501.135651	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+ACN+2H"	43.041102
"201543"	1963.43156	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+2Na-H"	44.97116
"642197"	2922.66176	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+2Na-H"	44.97116
"1145339"	1004.20136	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2Na-H"	44.97116
"185349"	982.219418	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+2Na"	45.978436
"623451"	1461.834518	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+2Na"	45.978436
"1124041"	502.604318	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2Na"	45.978436
"1410476"	335.405304	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H+2Na"	46.985712
"1439681"	1006.242946	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H+HCOOH"	47.012746
"234485"	987.25244	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+3H2O+2H"	56.04448
"1523274"	1020.29499	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+IsoProp+H"	61.06479
"421499"	990.206388	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+Na+K"	61.952376
"780307"	1469.821488	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+Na+K"	61.952376
"1676645"	510.591288	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Na+K"	61.952376
"266780"	1982.476168	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+ACN+Na"	64.015768
"1240625"	1023.245968	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+ACN+Na"	64.015768
"1727688"	1023.269493	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+NH4+HCOOH"	64.039293
"1192682"	342.732618	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+3Na"	68.967654
"1663303"	1028.224888	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Na+HCOOH"	68.994688
"171982"	1995.37944	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+2K-H"	76.91904
"611904"	2954.60964	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+2K-H"	76.91904
"1096417"	1036.14924	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2K-H"	76.91904
"155421"	998.193358	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"2M+2K"	77.926316
"592790"	1477.808458	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"3M+2K"	77.926316
"1080221"	518.578258	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2K"	77.926316
"1113069"	1038.163792	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2K+H"	78.933592
"1349454"	1038.251407	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+DMSO+H"	79.021207
"1019077"	1042.290576	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2ACN+H"	83.060376
"1538786"	1043.284208	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+IsoProp+Na+H"	84.054008
"1004747"	521.648926	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+2ACN+2H"	84.067652
"1602686"	1044.198828	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+K+HCOOH"	84.968628
"1429770"	1074.230338	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+H+CF3COOH"	115.000138
"1161757"	542.162201	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+3ACN+2H"	125.094202
"1712525"	1091.256885	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+NH4+CF3COOH"	132.026685
"1646595"	1096.21228	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+Na+CF3COOH"	136.98208
"1585524"	1112.18622	"C16339"	"()-7-Isojasmonic acid CoA"	"C33H52N7O18P3S"	"959.2302"	"M+K+CF3COOH"	152.95602
"807142"	532.4069	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M"	0
"978487"	513.38851	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-H2O-H"	-19.01839
"71106"	353.930657333333	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M-3H"	-3.021828
"505559"	531.399624	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M-3H"	-3.021828
"890655"	176.461690666667	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-3H"	-3.021828
"12513"	531.399624	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M-2H"	-2.014552
"450977"	797.603074	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M-2H"	-2.014552
"827685"	265.196174	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-2H"	-2.014552
"88771"	1063.806524	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M-H"	-1.007276
"527236"	1596.213424	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M-H"	-1.007276
"902849"	531.399624	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-H"	-1.007276
"53945"	1080.833071	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M-2H+NH4"	16.019271
"493509"	1613.239971	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M-2H+NH4"	16.019271
"875324"	548.426171	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-2H+NH4"	16.019271
"42493"	1085.788466	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M-2H+Na"	20.974666
"482783"	1618.195366	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M-2H+Na"	20.974666
"857669"	553.381566	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-2H+Na"	20.974666
"1628297"	553.381566	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Na-2H"	20.974666
"105557"	549.387963	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M-H+Cl"	33.962126
"542199"	815.591413	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M-H+Cl"	33.962126
"932434"	283.184513	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-H+Cl"	33.962126
"273181"	1099.783202	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+Cl"	34.969402
"669975"	1632.190102	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+Cl"	34.969402
"1275817"	567.376302	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Cl"	34.969402
"22748"	1101.762406	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M-2H+K"	36.948606
"457568"	1634.169306	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M-2H+K"	36.948606
"835008"	569.355506	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-2H+K"	36.948606
"1558860"	569.355506	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+K-2H"	36.948606
"944555"	577.405094	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-H+HCOOH"	44.998194
"361918"	1109.812001	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+HCOOH-H"	44.998201
"349205"	1123.827651	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+Hac-H"	59.013851
"1493422"	591.420751	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Hac-H"	59.013851
"959504"	599.387051	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-H+NaCOOH"	66.980151
"110054"	567.376302	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+2Cl"	69.938804
"550190"	833.579752	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+2Cl"	69.938804
"1029420"	301.172852	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2Cl"	69.938804
"1248265"	611.325785	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Br"	78.918885
"1318743"	613.381772	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Cl+HCOOH"	80.974872
"1332955"	635.363729	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Cl+NaCOOH"	102.956829
"921099"	645.392486	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M-H+CF3COOH"	112.985586
"1298900"	681.369164	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Cl+CF3COOH"	148.962264
"1374875"	497.394224	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H-2H2O"	-35.012676
"1386174"	515.4042	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H-H2O"	-17.0027
"287683"	1065.821076	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+H"	1.007276
"681198"	1598.227976	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+H"	1.007276
"1358641"	533.414176	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H"	1.007276
"131529"	533.414176	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+2H"	2.014552
"567442"	799.617626	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+2H"	2.014552
"1045358"	267.210726	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2H"	2.014552
"208884"	355.945209333333	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+3H"	3.021828
"652820"	533.414176	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+3H"	3.021828
"1167665"	178.476242666667	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+3H"	3.021828
"426197"	1082.847623	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+NH4"	18.033823
"790836"	1615.254523	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+NH4"	18.033823
"1684252"	550.440723	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+NH4"	18.033823
"331068"	541.9274495	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+H+NH4"	19.041099
"724587"	808.1308995	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+H+NH4"	19.041099
"1481684"	275.7239995	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H+NH4"	19.041099
"402564"	1087.803018	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+Na"	22.989218
"759182"	1620.209918	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+Na"	22.989218
"1603996"	555.396118	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Na"	22.989218
"320598"	544.405147	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+H+Na"	23.996494
"718486"	810.608597	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+H+Na"	23.996494
"1464650"	278.201697	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H+Na"	23.996494
"1063364"	185.803556666667	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2H+Na"	25.00377
"1268324"	565.440386	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+CH3OH+H"	33.033486
"387995"	1103.776958	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+K"	38.963158
"750088"	1636.183858	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+K"	38.963158
"1545579"	571.370058	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+K"	38.963158
"302756"	552.392117	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+H+K"	39.970434
"694082"	818.595567	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+H+K"	39.970434
"1452280"	286.188667	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H+K"	39.970434
"243067"	1106.847626	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+ACN+H"	42.033826
"1216872"	574.440726	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+ACN+H"	42.033826
"1207323"	287.724001	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+ACN+2H"	43.041102
"202747"	1109.78496	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+2Na-H"	44.97116
"643036"	1642.19186	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+2Na-H"	44.97116
"1145813"	577.37806	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2Na-H"	44.97116
"185459"	555.396118	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+2Na"	45.978436
"625383"	821.599568	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+2Na"	45.978436
"1126337"	289.192668	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2Na"	45.978436
"1410586"	193.130870666667	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H+2Na"	46.985712
"1440884"	579.419646	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H+HCOOH"	47.012746
"235321"	560.42914	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+3H2O+2H"	56.04448
"1523383"	593.47169	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+IsoProp+H"	61.06479
"421609"	563.383088	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+Na+K"	61.952376
"780417"	829.586538	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+Na+K"	61.952376
"1678943"	297.179638	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Na+K"	61.952376
"263654"	1128.829568	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+ACN+Na"	64.015768
"1238913"	596.422668	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+ACN+Na"	64.015768
"1727194"	596.446193	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+NH4+HCOOH"	64.039293
"1193034"	200.458184666667	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+3Na"	68.967654
"1664868"	601.401588	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Na+HCOOH"	68.994688
"171728"	1141.73284	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+2K-H"	76.91904
"609465"	1674.13974	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+2K-H"	76.91904
"1094340"	609.32594	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2K-H"	76.91904
"153346"	571.370058	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"2M+2K"	77.926316
"589986"	837.573508	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"3M+2K"	77.926316
"1077417"	305.166608	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2K"	77.926316
"1110263"	611.340492	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2K+H"	78.933592
"1349563"	611.428107	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+DMSO+H"	79.021207
"1017364"	615.467276	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2ACN+H"	83.060376
"1537317"	616.460908	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+IsoProp+Na+H"	84.054008
"1003887"	308.237276	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+2ACN+2H"	84.067652
"1602577"	617.375528	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+K+HCOOH"	84.968628
"1428665"	647.407038	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+H+CF3COOH"	115.000138
"1159681"	328.750551	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+3ACN+2H"	125.094202
"1711419"	664.433585	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+NH4+CF3COOH"	132.026685
"1646705"	669.38898	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+Na+CF3COOH"	136.98208
"1585634"	685.36292	"C16340"	"beta-Isorenieratene"	"C40H52"	"532.4069"	"M+K+CF3COOH"	152.95602
"812720"	310.2144	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M"	0
"979692"	291.19601	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-H2O-H"	-19.01839
"74497"	205.802324	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M-3H"	-3.021828
"507495"	309.207124	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M-3H"	-3.021828
"890765"	102.397524	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-3H"	-3.021828
"13715"	309.207124	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M-2H"	-2.014552
"448899"	464.314324	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M-2H"	-2.014552
"826702"	154.099924	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-2H"	-2.014552
"89974"	619.421524	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M-H"	-1.007276
"527345"	929.635924	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M-H"	-1.007276
"896762"	309.207124	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-H"	-1.007276
"56244"	636.448071	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M-2H+NH4"	16.019271
"492526"	946.662471	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M-2H+NH4"	16.019271
"874702"	326.233671	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-2H+NH4"	16.019271
"39322"	641.403466	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M-2H+Na"	20.974666
"474508"	951.617866	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M-2H+Na"	20.974666
"852310"	331.189066	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-2H+Na"	20.974666
"1627314"	331.189066	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Na-2H"	20.974666
"104938"	327.195463	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M-H+Cl"	33.962126
"536842"	482.302663	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M-H+Cl"	33.962126
"929263"	172.088263	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-H+Cl"	33.962126
"273290"	655.398202	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+Cl"	34.969402
"662430"	965.612602	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+Cl"	34.969402
"1275927"	345.183802	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Cl"	34.969402
"23589"	657.377406	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M-2H+K"	36.948606
"457436"	967.591806	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M-2H+K"	36.948606
"840950"	347.163006	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-2H+K"	36.948606
"1564804"	347.163006	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+K-2H"	36.948606
"946124"	355.212594	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-H+HCOOH"	44.998194
"363609"	665.427001	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+HCOOH-H"	44.998201
"348222"	679.442651	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+Hac-H"	59.013851
"1493167"	369.228251	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Hac-H"	59.013851
"960225"	377.194551	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-H+NaCOOH"	66.980151
"110062"	345.183802	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+2Cl"	69.938804
"550626"	500.291002	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+2Cl"	69.938804
"1030622"	190.076602	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2Cl"	69.938804
"1246917"	389.133285	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Br"	78.918885
"1319544"	391.189272	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Cl+HCOOH"	80.974872
"1332336"	413.171229	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Cl+NaCOOH"	102.956829
"921209"	423.199986	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M-H+CF3COOH"	112.985586
"1299010"	459.176664	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Cl+CF3COOH"	148.962264
"1374985"	275.201724	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H-2H2O"	-35.012676
"1386284"	293.2117	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H-H2O"	-17.0027
"287793"	621.436076	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+H"	1.007276
"683494"	931.650476	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+H"	1.007276
"1358751"	311.221676	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H"	1.007276
"131639"	311.221676	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+2H"	2.014552
"569013"	466.328876	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+2H"	2.014552
"1043280"	156.114476	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2H"	2.014552
"205712"	207.816876	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+3H"	3.021828
"652930"	311.221676	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+3H"	3.021828
"1165952"	104.412076	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+3H"	3.021828
"425942"	638.462623	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+NH4"	18.033823
"788760"	948.677023	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+NH4"	18.033823
"1684362"	328.248223	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+NH4"	18.033823
"330038"	319.7349495	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+H+NH4"	19.041099
"725788"	474.8421495	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+H+NH4"	19.041099
"1477661"	164.6277495	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H+NH4"	19.041099
"403767"	643.418018	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+Na"	22.989218
"759656"	953.632418	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+Na"	22.989218
"1603984"	333.203618	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Na"	22.989218
"320707"	322.212647	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+H+Na"	23.996494
"716409"	477.319847	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+H+Na"	23.996494
"1464758"	167.105447	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H+Na"	23.996494
"1064567"	111.73939	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2H+Na"	25.00377
"1265154"	343.247886	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+CH3OH+H"	33.033486
"388104"	659.391958	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+K"	38.963158
"750197"	969.606358	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+K"	38.963158
"1546781"	349.177558	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+K"	38.963158
"302865"	330.199617	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+H+K"	39.970434
"692001"	485.306817	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+H+K"	39.970434
"1452390"	175.092417	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H+K"	39.970434
"239897"	662.462626	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+ACN+H"	42.033826
"1218074"	352.248226	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+ACN+H"	42.033826
"1209014"	176.627751	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+ACN+2H"	43.041102
"203631"	665.39996	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+2Na-H"	44.97116
"643716"	975.61436	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+2Na-H"	44.97116
"1145922"	355.18556	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2Na-H"	44.97116
"186664"	333.203618	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+2Na"	45.978436
"625492"	488.310818	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+2Na"	45.978436
"1124259"	178.096418	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2Na"	45.978436
"1405595"	119.066704	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H+2Na"	46.985712
"1442083"	357.227146	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H+HCOOH"	47.012746
"230683"	338.23664	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+3H2O+2H"	56.04448
"1516561"	371.27919	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+IsoProp+H"	61.06479
"420258"	341.190588	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+Na+K"	61.952376
"776150"	496.297788	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+Na+K"	61.952376
"1679415"	186.083388	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Na+K"	61.952376
"267033"	684.444568	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+ACN+Na"	64.015768
"1240971"	374.230168	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+ACN+Na"	64.015768
"1725352"	374.253693	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+NH4+HCOOH"	64.039293
"1191436"	126.394018	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+3Na"	68.967654
"1662421"	379.209088	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Na+HCOOH"	68.994688
"168919"	697.34784	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+2K-H"	76.91904
"609567"	1007.56224	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+2K-H"	76.91904
"1094086"	387.13344	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2K-H"	76.91904
"155279"	349.177558	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"2M+2K"	77.926316
"589005"	504.284758	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"3M+2K"	77.926316
"1078257"	194.070358	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2K"	77.926316
"1111831"	389.147992	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2K+H"	78.933592
"1347851"	389.235607	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+DMSO+H"	79.021207
"1017109"	393.274776	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2ACN+H"	83.060376
"1539129"	394.268408	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+IsoProp+Na+H"	84.054008
"1003875"	197.141026	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+2ACN+2H"	84.067652
"1602558"	395.183028	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+K+HCOOH"	84.968628
"1427317"	425.214538	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+H+CF3COOH"	115.000138
"1160886"	217.654301	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+3ACN+2H"	125.094202
"1710801"	442.241085	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+NH4+CF3COOH"	132.026685
"1649002"	447.19648	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+Na+CF3COOH"	136.98208
"1585744"	463.17042	"C16341"	"2(R)-HPOT;(2R)-(9Z12Z15Z)-2-Hydroperoxyoctadecatri-91215-enoic acid;2(R)-HpOTrE"	"C18H30O4"	"310.2144"	"M+K+CF3COOH"	152.95602
"806269"	294.2195	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M"	0
"983082"	275.20111	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"75700"	195.139057333333	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"507605"	293.212224	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"890875"	97.0658906666666	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"8356"	293.212224	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"446823"	440.321974	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"820250"	146.102474	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"85709"	587.431724	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"523082"	881.651224	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"895819"	293.212224	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"49792"	604.458271	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"495916"	898.677771	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"868250"	310.238771	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"36152"	609.413666	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"473525"	903.633166	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"855700"	315.194166	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1628517"	315.194166	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"105047"	311.200563	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"536952"	458.310313	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"930467"	164.090813	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"268537"	623.408402	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"662904"	917.627902	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1276037"	329.188902	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"25157"	625.387606	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"457546"	919.607106	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"841425"	331.168106	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1564914"	331.168106	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"945870"	339.217694	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"363355"	633.437201	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"347967"	647.452851	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1494614"	353.233351	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"960335"	361.199651	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"111795"	329.188902	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"551467"	476.298652	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1029637"	182.079152	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1247027"	373.138385	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1317867"	375.194372	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1326978"	397.176329	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"923141"	407.205086	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1299849"	443.181764	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1376188"	259.206824	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1386030"	277.2168	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"288996"	589.446276	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"683604"	883.665776	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1359954"	295.226776	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"131749"	295.226776	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"569123"	442.336526	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1044483"	148.117026	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"205822"	197.153609333333	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"650852"	295.226776	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1166790"	99.0804426666667	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"427875"	606.472823	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"786803"	900.692323	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1684107"	312.253323	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"330270"	303.7400495	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"726991"	450.8497995	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1477286"	156.6302995	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"397312"	611.428218	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"759402"	905.647718	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1603852"	317.208718	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"320817"	306.217747	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"714332"	453.327497	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1464504"	159.107997	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1064313"	106.407756666667	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1265264"	327.252986	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"387121"	627.402158	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"748120"	921.621658	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1549078"	333.182658	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"302974"	314.204717	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"692236"	461.314467	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1454686"	167.094967	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"242193"	630.472826	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1219277"	336.253326	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1209488"	168.630301	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"204063"	633.41016	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"643868"	927.62966	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1146520"	339.19066	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"187625"	317.208718	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"625602"	464.318468	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1125462"	170.098968	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1407891"	113.735070666667	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1440006"	341.232246	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"228606"	322.24174	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1517762"	355.28429	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"420731"	325.195688	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"776260"	472.305438	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1680257"	178.085938	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"266927"	652.454768	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1241076"	358.235268	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1725096"	358.258793	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1189720"	121.062384666667	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1663620"	363.214188	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"170480"	665.35804	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"607853"	959.57754	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1095646"	371.13854	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"153567"	333.182658	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"592760"	480.292408	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1079459"	186.072908	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1111575"	373.153092	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1349051"	373.240707	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1019040"	377.279876	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1538509"	378.273508	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"1003620"	189.143576	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1602016"	379.188128	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1428885"	409.219638	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1162091"	209.656851	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1711639"	426.246185	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1645832"	431.20158	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1585854"	447.17552	"C16342"	"2(R)-HOT;(2R)-(9Z12Z15Z)-2-Hydroxyoctadecatri-91215-enoic acid;2(R)-HOTrE"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"806379"	248.214	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M"	0
"979912"	229.19561	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-H2O-H"	-19.01839
"74717"	164.468724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M-3H"	-3.021828
"507715"	247.206724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M-3H"	-3.021828
"887705"	81.730724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-3H"	-3.021828
"8466"	247.206724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M-2H"	-2.014552
"446933"	371.313724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M-2H"	-2.014552
"820360"	123.099724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-2H"	-2.014552
"78695"	495.420724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M-H"	-1.007276
"523192"	743.634724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M-H"	-1.007276
"895924"	247.206724	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-H"	-1.007276
"47154"	512.447271	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M-2H+NH4"	16.019271
"496026"	760.661271	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M-2H+NH4"	16.019271
"866171"	264.233271	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-2H+NH4"	16.019271
"36262"	517.402666	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M-2H+Na"	20.974666
"473635"	765.616666	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M-2H+Na"	20.974666
"855810"	269.188666	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-2H+Na"	20.974666
"1627534"	269.188666	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Na-2H"	20.974666
"100784"	265.195063	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M-H+Cl"	33.962126
"534790"	389.302063	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M-H+Cl"	33.962126
"930576"	141.088063	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-H+Cl"	33.962126
"268525"	531.397402	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+Cl"	34.969402
"659957"	779.611402	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+Cl"	34.969402
"1273959"	283.183402	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Cl"	34.969402
"15975"	533.376606	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M-2H+K"	36.948606
"455821"	781.590606	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M-2H+K"	36.948606
"832853"	285.162606	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-2H+K"	36.948606
"1555682"	285.162606	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+K-2H"	36.948606
"943791"	293.212194	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-H+HCOOH"	44.998194
"361760"	541.426201	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+HCOOH-H"	44.998201
"345929"	555.441851	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+Hac-H"	59.013851
"1493874"	307.227851	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Hac-H"	59.013851
"961905"	315.194151	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-H+NaCOOH"	66.980151
"111905"	283.183402	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+2Cl"	69.938804
"550362"	407.290402	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+2Cl"	69.938804
"1029747"	159.076402	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2Cl"	69.938804
"1247137"	327.132885	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Br"	78.918885
"1316154"	329.188872	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Cl+HCOOH"	80.974872
"1324901"	351.170829	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Cl+NaCOOH"	102.956829
"920335"	361.199586	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M-H+CF3COOH"	112.985586
"1299959"	397.176264	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Cl+CF3COOH"	148.962264
"1377391"	213.201324	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H-2H2O"	-35.012676
"1387233"	231.2113	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H-H2O"	-17.0027
"286918"	497.435276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+H"	1.007276
"682621"	745.649276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+H"	1.007276
"1358970"	249.221276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H"	1.007276
"131859"	249.221276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+2H"	2.014552
"569233"	373.328276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+2H"	2.014552
"1044593"	125.114276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2H"	2.014552
"205932"	166.483276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+3H"	3.021828
"650962"	249.221276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+3H"	3.021828
"1169086"	83.745276	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+3H"	3.021828
"427985"	514.461823	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+NH4"	18.033823
"786222"	762.675823	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+NH4"	18.033823
"1681620"	266.247823	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+NH4"	18.033823
"330178"	257.7345495	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+H+NH4"	19.041099
"726008"	381.8415495	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+H+NH4"	19.041099
"1478367"	133.6275495	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H+NH4"	19.041099
"394504"	519.417218	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+Na"	22.989218
"759147"	767.631218	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+Na"	22.989218
"1603962"	271.203218	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Na"	22.989218
"320927"	260.212247	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+H+Na"	23.996494
"714442"	384.319247	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+H+Na"	23.996494
"1463885"	136.105247	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H+Na"	23.996494
"1061506"	91.07259	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2H+Na"	25.00377
"1263185"	281.247486	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+CH3OH+H"	33.033486
"385044"	535.391158	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+K"	38.963158
"742760"	783.605158	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+K"	38.963158
"1542626"	287.177158	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+K"	38.963158
"304177"	268.199217	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+H+K"	39.970434
"691858"	392.306217	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+H+K"	39.970434
"1448234"	144.092217	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H+K"	39.970434
"235902"	538.461826	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+ACN+H"	42.033826
"1215015"	290.247826	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+ACN+H"	42.033826
"1209726"	145.627551	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+ACN+2H"	43.041102
"204240"	541.39916	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+2Na-H"	44.97116
"644111"	789.61316	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+2Na-H"	44.97116
"1145415"	293.18516	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2Na-H"	44.97116
"185789"	271.203218	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+2Na"	45.978436
"624618"	395.310218	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+2Na"	45.978436
"1125572"	147.096218	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2Na"	45.978436
"1408001"	98.399904	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H+2Na"	46.985712
"1440116"	295.226746	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H+HCOOH"	47.012746
"227623"	276.23624	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+3H2O+2H"	56.04448
"1516779"	309.27879	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+IsoProp+H"	61.06479
"421569"	279.190188	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+Na+K"	61.952376
"780378"	403.297188	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+Na+K"	61.952376
"1669780"	155.083188	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Na+K"	61.952376
"266290"	560.443768	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+ACN+Na"	64.015768
"1239237"	312.229768	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+ACN+Na"	64.015768
"1725932"	312.253293	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+NH4+HCOOH"	64.039293
"1191287"	105.727218	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+3Na"	68.967654
"1662275"	317.208688	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Na+HCOOH"	68.994688
"169132"	573.34704	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+2K-H"	76.91904
"608692"	821.56104	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+2K-H"	76.91904
"1095756"	325.13304	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2K-H"	76.91904
"153677"	287.177158	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"2M+2K"	77.926316
"592869"	411.284158	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"3M+2K"	77.926316
"1081026"	163.070158	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2K"	77.926316
"1112049"	327.147592	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2K+H"	78.933592
"1348068"	327.235207	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+DMSO+H"	79.021207
"1018786"	331.274376	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2ACN+H"	83.060376
"1537647"	332.268008	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+IsoProp+Na+H"	84.054008
"1004823"	166.140826	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+2ACN+2H"	84.067652
"1600424"	333.182628	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+K+HCOOH"	84.968628
"1429238"	363.214138	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+H+CF3COOH"	115.000138
"1160743"	186.654101	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+3ACN+2H"	125.094202
"1709199"	380.240685	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+NH4+CF3COOH"	132.026685
"1645942"	385.19608	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+Na+CF3COOH"	136.98208
"1585964"	401.17002	"C16343"	"Heptadecatrienal;(8Z11Z14Z)-81114-Heptadecatrienal"	"C17H28O"	"248.214"	"M+K+CF3COOH"	152.95602
"806489"	264.2089	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M"	0
"974795"	245.19051	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-H2O-H"	-19.01839
"75920"	175.131990666667	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M-3H"	-3.021828
"507825"	263.201624	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M-3H"	-3.021828
"885628"	87.0623573333333	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-3H"	-3.021828
"8576"	263.201624	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M-2H"	-2.014552
"447043"	395.306074	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M-2H"	-2.014552
"821563"	131.097174	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-2H"	-2.014552
"79038"	527.410524	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M-H"	-1.007276
"523302"	791.619424	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M-H"	-1.007276
"896842"	263.201624	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-H"	-1.007276
"47694"	544.437071	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M-2H+NH4"	16.019271
"497958"	808.645971	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M-2H+NH4"	16.019271
"866281"	280.228171	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-2H+NH4"	16.019271
"37465"	549.392466	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M-2H+Na"	20.974666
"475931"	813.601366	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M-2H+Na"	20.974666
"854827"	285.183566	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-2H+Na"	20.974666
"1625458"	285.183566	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Na-2H"	20.974666
"97613"	281.189963	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M-H+Cl"	33.962126
"534740"	413.294413	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M-H+Cl"	33.962126
"929593"	149.085513	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-H+Cl"	33.962126
"268514"	563.387202	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+Cl"	34.969402
"659960"	827.596102	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+Cl"	34.969402
"1272775"	299.178302	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Cl"	34.969402
"16859"	565.366406	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M-2H+K"	36.948606
"455796"	829.575306	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M-2H+K"	36.948606
"833251"	301.157506	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-2H+K"	36.948606
"1557104"	301.157506	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+K-2H"	36.948606
"943897"	309.207094	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-H+HCOOH"	44.998194
"362478"	573.416001	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+HCOOH-H"	44.998201
"346481"	587.431651	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+Hac-H"	59.013851
"1494834"	323.222751	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Hac-H"	59.013851
"962743"	331.189051	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-H+NaCOOH"	66.980151
"112744"	299.178302	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+2Cl"	69.938804
"550352"	431.282752	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+2Cl"	69.938804
"1028764"	167.073852	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2Cl"	69.938804
"1246155"	343.127785	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Br"	78.918885
"1315536"	345.183772	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Cl+HCOOH"	80.974872
"1326104"	367.165729	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Cl+NaCOOH"	102.956829
"919351"	377.194486	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M-H+CF3COOH"	112.985586
"1298976"	413.171164	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Cl+CF3COOH"	148.962264
"1374221"	229.196224	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H-2H2O"	-35.012676
"1390623"	247.2062	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H-H2O"	-17.0027
"283140"	529.425076	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+H"	1.007276
"677263"	793.633976	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+H"	1.007276
"1356893"	265.216176	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H"	1.007276
"127716"	265.216176	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+2H"	2.014552
"571530"	397.320626	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+2H"	2.014552
"1045796"	133.111726	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2H"	2.014552
"209322"	177.146542666667	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+3H"	3.021828
"652165"	265.216176	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+3H"	3.021828
"1168103"	89.0769093333333	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+3H"	3.021828
"425908"	546.451623	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+NH4"	18.033823
"786655"	810.660523	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+NH4"	18.033823
"1683232"	282.242723	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+NH4"	18.033823
"330413"	273.7294495	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+H+NH4"	19.041099
"723932"	405.8338995	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+H+NH4"	19.041099
"1477871"	141.6249995	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H+NH4"	19.041099
"394614"	551.407018	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+Na"	22.989218
"758164"	815.615918	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+Na"	22.989218
"1605529"	287.198118	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Na"	22.989218
"318850"	276.207147	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+H+Na"	23.996494
"714552"	408.311597	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+H+Na"	23.996494
"1465088"	144.102697	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H+Na"	23.996494
"1060523"	96.4042233333333	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2H+Na"	25.00377
"1266577"	297.242386	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+CH3OH+H"	33.033486
"386249"	567.380958	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+K"	38.963158
"742140"	831.589858	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+K"	38.963158
"1543099"	303.172058	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+K"	38.963158
"304287"	284.194117	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+H+K"	39.970434
"691968"	416.298567	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+H+K"	39.970434
"1448344"	152.089667	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H+K"	39.970434
"236578"	570.451626	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+ACN+H"	42.033826
"1215125"	306.242726	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+ACN+H"	42.033826
"1209757"	153.625001	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+ACN+2H"	43.041102
"204253"	573.38896	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+2Na-H"	44.97116
"642991"	837.59786	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+2Na-H"	44.97116
"1145404"	309.18006	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2Na-H"	44.97116
"186022"	287.198118	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+2Na"	45.978436
"623271"	419.302568	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+2Na"	45.978436
"1124589"	155.093668	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2Na"	45.978436
"1408113"	103.731537333333	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H+2Na"	46.985712
"1438042"	311.221646	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H+HCOOH"	47.012746
"233204"	292.23114	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+3H2O+2H"	56.04448
"1519079"	325.27369	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+IsoProp+H"	61.06479
"422411"	295.185088	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+Na+K"	61.952376
"778666"	427.289538	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+Na+K"	61.952376
"1673904"	163.080638	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Na+K"	61.952376
"265185"	592.433568	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+ACN+Na"	64.015768
"1239955"	328.224668	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+ACN+Na"	64.015768
"1726043"	328.248193	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+NH4+HCOOH"	64.039293
"1189210"	111.058851333333	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+3Na"	68.967654
"1662749"	333.203588	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Na+HCOOH"	68.994688
"167786"	605.33684	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+2K-H"	76.91904
"608074"	869.54574	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+2K-H"	76.91904
"1095138"	341.12794	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2K-H"	76.91904
"153054"	303.172058	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"2M+2K"	77.926316
"592978"	435.276508	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"3M+2K"	77.926316
"1079312"	171.067608	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2K"	77.926316
"1111792"	343.142492	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2K+H"	78.933592
"1344896"	343.230107	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+DMSO+H"	79.021207
"1018161"	347.269276	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2ACN+H"	83.060376
"1538117"	348.262908	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+IsoProp+Na+H"	84.054008
"1002743"	174.138276	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+2ACN+2H"	84.067652
"1601986"	349.177528	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+K+HCOOH"	84.968628
"1427278"	379.209038	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+H+CF3COOH"	115.000138
"1161217"	194.651551	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+3ACN+2H"	125.094202
"1711130"	396.235585	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+NH4+CF3COOH"	132.026685
"1647875"	401.19098	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+Na+CF3COOH"	136.98208
"1586074"	417.16492	"C16344"	"Heptadecatrienoic acid;(8Z11Z14Z)-81114-Heptadecatrienoic acid"	"C17H28O2"	"264.2089"	"M+K+CF3COOH"	152.95602
"809879"	422.2781	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M"	0
"974375"	403.25971	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-H2O-H"	-19.01839
"74937"	280.511457333333	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M-3H"	-3.021828
"510122"	421.270824	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M-3H"	-3.021828
"887925"	139.752090666667	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-3H"	-3.021828
"7593"	421.270824	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M-2H"	-2.014552
"448246"	632.409874	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M-2H"	-2.014552
"820580"	210.131774	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-2H"	-2.014552
"80083"	843.548924	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M-H"	-1.007276
"523412"	1265.827024	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M-H"	-1.007276
"896589"	421.270824	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-H"	-1.007276
"47320"	860.575471	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M-2H+NH4"	16.019271
"497339"	1282.853571	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M-2H+NH4"	16.019271
"867484"	438.297371	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-2H+NH4"	16.019271
"36482"	865.530866	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M-2H+Na"	20.974666
"476041"	1287.808966	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M-2H+Na"	20.974666
"852750"	443.252766	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-2H+Na"	20.974666
"1625569"	443.252766	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Na-2H"	20.974666
"99909"	439.259163	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M-H+Cl"	33.962126
"534971"	650.398213	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M-H+Cl"	33.962126
"931891"	228.120113	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-H+Cl"	33.962126
"268624"	879.525602	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+Cl"	34.969402
"661159"	1301.803702	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+Cl"	34.969402
"1274907"	457.247502	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Cl"	34.969402
"16604"	881.504806	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M-2H+K"	36.948606
"456407"	1303.782906	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M-2H+K"	36.948606
"833730"	459.226706	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-2H+K"	36.948606
"1559039"	459.226706	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+K-2H"	36.948606
"943883"	467.276294	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-H+HCOOH"	44.998194
"362587"	889.554401	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+HCOOH-H"	44.998201
"348290"	903.570051	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+Hac-H"	59.013851
"1493480"	481.291951	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Hac-H"	59.013851
"960657"	489.258251	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-H+NaCOOH"	66.980151
"110779"	457.247502	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+2Cl"	69.938804
"550339"	668.386552	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+2Cl"	69.938804
"1025956"	246.108452	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2Cl"	69.938804
"1246265"	501.196985	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Br"	78.918885
"1318561"	503.252972	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Cl+HCOOH"	80.974872
"1326214"	525.234929	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Cl+NaCOOH"	102.956829
"919461"	535.263686	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M-H+CF3COOH"	112.985586
"1299450"	571.240364	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Cl+CF3COOH"	148.962264
"1373238"	387.265424	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H-2H2O"	-35.012676
"1390733"	405.2754	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H-H2O"	-17.0027
"283858"	845.563476	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+H"	1.007276
"677007"	1267.841576	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+H"	1.007276
"1357003"	423.285376	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H"	1.007276
"127705"	423.285376	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+2H"	2.014552
"570547"	634.424426	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+2H"	2.014552
"1044813"	212.146326	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2H"	2.014552
"209432"	282.526009333333	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+3H"	3.021828
"650089"	423.285376	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+3H"	3.021828
"1168214"	141.766642666667	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+3H"	3.021828
"431488"	862.590023	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+NH4"	18.033823
"787012"	1284.868123	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+NH4"	18.033823
"1683343"	440.311923	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+NH4"	18.033823
"329992"	431.7986495	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+H+NH4"	19.041099
"726229"	642.9376995	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+H+NH4"	19.041099
"1477183"	220.6595995	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H+NH4"	19.041099
"396545"	867.545418	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+Na"	22.989218
"758639"	1289.823518	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+Na"	22.989218
"1610016"	445.267318	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Na"	22.989218
"318960"	434.276347	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+H+Na"	23.996494
"715755"	645.415397	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+H+Na"	23.996494
"1466292"	223.137297	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H+Na"	23.996494
"1060633"	149.093956666667	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2H+Na"	25.00377
"1263407"	455.311586	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+CH3OH+H"	33.033486
"386359"	883.519358	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+K"	38.963158
"742981"	1305.797458	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+K"	38.963158
"1541753"	461.241258	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+K"	38.963158
"304397"	442.263317	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+H+K"	39.970434
"695725"	653.402367	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+H+K"	39.970434
"1451736"	231.124267	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H+K"	39.970434
"235999"	886.590026	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+ACN+H"	42.033826
"1214142"	464.311926	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+ACN+H"	42.033826
"1209498"	232.659601	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+ACN+2H"	43.041102
"203548"	889.52736	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+2Na-H"	44.97116
"643472"	1311.80546	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+2Na-H"	44.97116
"1146251"	467.24926	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2Na-H"	44.97116
"188082"	445.267318	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+2Na"	45.978436
"625812"	656.406368	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+2Na"	45.978436
"1126887"	234.128268	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2Na"	45.978436
"1411505"	156.421270666667	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H+2Na"	46.985712
"1438152"	469.290846	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H+HCOOH"	47.012746
"233314"	450.30034	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+3H2O+2H"	56.04448
"1519554"	483.34289	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+IsoProp+H"	61.06479
"422885"	453.254288	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+Na+K"	61.952376
"777683"	664.393338	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+Na+K"	61.952376
"1675108"	242.115238	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Na+K"	61.952376
"264929"	908.571968	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+ACN+Na"	64.015768
"1239336"	486.293868	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+ACN+Na"	64.015768
"1727006"	486.317393	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+NH4+HCOOH"	64.039293
"1190778"	163.748584666667	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+3Na"	68.967654
"1661764"	491.272788	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Na+HCOOH"	68.994688
"168624"	921.47524	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+2K-H"	76.91904
"608548"	1343.75334	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+2K-H"	76.91904
"1096708"	499.19714	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2K-H"	76.91904
"152799"	461.241258	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"2M+2K"	77.926316
"593452"	672.380308	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"3M+2K"	77.926316
"1079786"	250.102208	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2K"	77.926316
"1110808"	501.211692	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2K+H"	78.933592
"1347558"	501.299307	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+DMSO+H"	79.021207
"1017545"	505.338476	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2ACN+H"	83.060376
"1537985"	506.332108	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+IsoProp+Na+H"	84.054008
"1002853"	253.172876	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+2ACN+2H"	84.067652
"1601731"	507.246728	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+K+HCOOH"	84.968628
"1428360"	537.278238	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+H+CF3COOH"	115.000138
"1160960"	273.686151	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+3ACN+2H"	125.094202
"1708327"	554.304785	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+NH4+CF3COOH"	132.026685
"1647985"	559.26018	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+Na+CF3COOH"	136.98208
"1586184"	575.23412	"C16345"	"Volicitin;N-(17-Hydroxylinolenoyl)-L-glutamine"	"C23H38N2O5"	"422.2781"	"M+K+CF3COOH"	152.95602
"806709"	294.2195	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M"	0
"975016"	275.20111	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"75047"	195.139057333333	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"510232"	293.212224	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"888035"	97.0658906666666	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"8796"	293.212224	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"451636"	440.321974	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"820690"	146.102474	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"79587"	587.431724	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"523522"	881.651224	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"896582"	293.212224	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"47919"	604.458271	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"497449"	898.677771	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"868690"	310.238771	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"36592"	609.413666	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"473965"	903.633166	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"851767"	315.194166	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1625680"	315.194166	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"100019"	311.200563	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"535812"	458.310313	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"928842"	164.090813	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"270560"	623.408402	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"661025"	917.627902	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1275746"	329.188902	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"16470"	625.387606	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"456882"	919.607106	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"834204"	331.168106	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1558784"	331.168106	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"944846"	339.217694	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"363060"	633.437201	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"347671"	647.452851	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1494323"	353.233351	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"960400"	361.199651	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"112224"	329.188902	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"551672"	476.298652	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1024609"	182.079152	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1246375"	373.138385	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1318307"	375.194372	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1327417"	397.176329	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"922852"	407.205086	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1297372"	443.181764	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1373348"	259.206824	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1390843"	277.2168	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"285062"	589.446276	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"677482"	883.665776	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1361487"	295.226776	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"127815"	295.226776	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"572844"	442.336526	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1040548"	148.117026	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"204471"	197.153609333333	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"644728"	295.226776	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1169416"	99.0804426666667	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"429408"	606.472823	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"786064"	900.692323	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1683453"	312.253323	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"330999"	303.7400495	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"725610"	450.8497995	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1478092"	156.6302995	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"395562"	611.428218	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"758747"	905.647718	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1607936"	317.208718	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"319069"	306.217747	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"711491"	453.327497	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1466400"	159.107997	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1060743"	106.407756666667	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1263517"	327.252986	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"385375"	627.402158	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"745278"	921.621658	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1547330"	333.182658	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"304507"	314.204717	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"698022"	461.314467	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1451846"	167.094967	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"237527"	630.472826	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1214252"	336.253326	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1206520"	168.630301	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"203288"	633.41016	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"643820"	927.62966	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1145374"	339.19066	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"187584"	317.208718	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"627503"	464.318468	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1123717"	170.098968	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1407240"	113.735070666667	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1438261"	341.232246	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"230142"	322.24174	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1520028"	355.28429	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"420807"	325.195688	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"775606"	472.305438	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1674125"	178.085938	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"265282"	652.454768	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1240178"	358.235268	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1725902"	358.258793	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1190524"	121.062384666667	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1662241"	363.214188	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"170196"	665.35804	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"609023"	959.57754	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1097547"	371.13854	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"152545"	333.182658	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"591375"	480.292408	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1079896"	186.072908	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1113107"	373.153092	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1349492"	373.240707	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1015834"	377.279876	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1537608"	378.273508	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"1002963"	189.143576	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1601476"	379.188128	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1428591"	409.219638	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1162407"	209.656851	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1710623"	426.246185	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1647364"	431.20158	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1586294"	447.17552	"C16346"	"17-Hydroxylinolenic acid;(9Z12Z15Z)-17-Hydroxyoctadecatri-91215-enoic acid"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"806819"	582.4073	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M"	0
"974880"	563.38891	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-H2O-H"	-19.01839
"77344"	387.264257333333	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M-3H"	-3.021828
"507062"	581.400024	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M-3H"	-3.021828
"887052"	193.128490666667	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-3H"	-3.021828
"8906"	581.400024	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M-2H"	-2.014552
"448466"	872.603674	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M-2H"	-2.014552
"820801"	290.196374	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-2H"	-2.014552
"80182"	1163.807324	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M-H"	-1.007276
"523632"	1746.214624	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M-H"	-1.007276
"901434"	581.400024	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-H"	-1.007276
"50341"	1180.833871	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M-2H+NH4"	16.019271
"488441"	1763.241171	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M-2H+NH4"	16.019271
"869893"	598.426571	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-2H+NH4"	16.019271
"34513"	1185.789266	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M-2H+Na"	20.974666
"473221"	1768.196566	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M-2H+Na"	20.974666
"849075"	603.381966	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-2H+Na"	20.974666
"1629070"	603.381966	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Na-2H"	20.974666
"102316"	599.388363	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M-H+Cl"	33.962126
"540783"	890.592013	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M-H+Cl"	33.962126
"929924"	308.184713	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-H+Cl"	33.962126
"271763"	1199.784002	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+Cl"	34.969402
"660774"	1782.191302	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+Cl"	34.969402
"1275856"	617.376702	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Cl"	34.969402
"16015"	1201.763206	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M-2H+K"	36.948606
"456998"	1784.170506	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M-2H+K"	36.948606
"836136"	619.355906	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-2H+K"	36.948606
"1558531"	619.355906	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+K-2H"	36.948606
"945684"	627.405494	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-H+HCOOH"	44.998194
"364264"	1209.812801	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+HCOOH-H"	44.998201
"347418"	1223.828451	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+Hac-H"	59.013851
"1493576"	641.421151	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Hac-H"	59.013851
"959785"	649.387451	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-H+NaCOOH"	66.980151
"111000"	617.376702	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+2Cl"	69.938804
"550051"	908.580352	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+2Cl"	69.938804
"1022283"	326.173052	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2Cl"	69.938804
"1241614"	661.326185	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Br"	78.918885
"1306747"	663.382172	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Cl+HCOOH"	80.974872
"1326433"	685.364129	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Cl+NaCOOH"	102.956829
"925148"	695.392886	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M-H+CF3COOH"	112.985586
"1298576"	731.369564	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Cl+CF3COOH"	148.962264
"1373458"	547.394624	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H-2H2O"	-35.012676
"1389860"	565.4046	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H-H2O"	-17.0027
"286265"	1165.821876	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+H"	1.007276
"678685"	1748.229176	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+H"	1.007276
"1355035"	583.414576	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H"	1.007276
"127191"	583.414576	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+2H"	2.014552
"571861"	874.618226	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+2H"	2.014552
"1040658"	292.210926	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2H"	2.014552
"204585"	389.278809333333	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+3H"	3.021828
"648118"	583.414576	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+3H"	3.021828
"1165151"	195.143042666667	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+3H"	3.021828
"427332"	1182.848423	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+NH4"	18.033823
"788328"	1765.255723	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+NH4"	18.033823
"1683930"	600.441123	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+NH4"	18.033823
"331351"	591.9278495	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+H+NH4"	19.041099
"726449"	883.1314995	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+H+NH4"	19.041099
"1477594"	300.7241995	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H+NH4"	19.041099
"397858"	1187.803818	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+Na"	22.989218
"758857"	1770.211118	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+Na"	22.989218
"1609139"	605.396518	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Na"	22.989218
"321365"	594.405547	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+H+Na"	23.996494
"712694"	885.609197	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+H+Na"	23.996494
"1468697"	303.201897	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H+Na"	23.996494
"1057573"	202.470356666667	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2H+Na"	25.00377
"1263627"	615.440786	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+CH3OH+H"	33.033486
"383299"	1203.777758	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+K"	38.963158
"744295"	1786.185058	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+K"	38.963158
"1546347"	621.370458	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+K"	38.963158
"304617"	602.392517	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+H+K"	39.970434
"695946"	893.596167	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+H+K"	39.970434
"1450863"	311.188867	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H+K"	39.970434
"237638"	1206.848426	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+ACN+H"	42.033826
"1213269"	624.441126	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+ACN+H"	42.033826
"1206631"	312.724201	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+ACN+2H"	43.041102
"202422"	1209.78576	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+2Na-H"	44.97116
"641984"	1792.19306	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+2Na-H"	44.97116
"1142933"	627.37846	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2Na-H"	44.97116
"187199"	605.396518	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+2Na"	45.978436
"626517"	896.600168	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+2Na"	45.978436
"1123826"	314.192868	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2Na"	45.978436
"1407351"	209.797670666667	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H+2Na"	46.985712
"1436183"	629.420046	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H+HCOOH"	47.012746
"231345"	610.42954	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+3H2O+2H"	56.04448
"1516127"	643.47209	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+IsoProp+H"	61.06479
"418000"	613.383488	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+Na+K"	61.952376
"773530"	904.587138	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+Na+K"	61.952376
"1675331"	322.179838	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Na+K"	61.952376
"265756"	1228.830368	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+ACN+Na"	64.015768
"1241140"	646.423068	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+ACN+Na"	64.015768
"1726377"	646.446593	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+NH4+HCOOH"	64.039293
"1189540"	217.124984666667	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+3Na"	68.967654
"1661621"	651.401988	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Na+HCOOH"	68.994688
"169575"	1241.73364	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+2K-H"	76.91904
"607675"	1824.14094	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+2K-H"	76.91904
"1096199"	659.32634	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2K-H"	76.91904
"153019"	621.370458	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"2M+2K"	77.926316
"590392"	912.574108	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"3M+2K"	77.926316
"1078183"	330.166808	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2K"	77.926316
"1112488"	661.340892	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2K+H"	78.933592
"1347780"	661.428507	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+DMSO+H"	79.021207
"1016308"	665.467676	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2ACN+H"	83.060376
"1535531"	666.461308	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+IsoProp+Na+H"	84.054008
"1003073"	333.237476	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+2ACN+2H"	84.067652
"1600856"	667.375928	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+K+HCOOH"	84.968628
"1429776"	697.407438	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+H+CF3COOH"	115.000138
"1162517"	353.750751	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+3ACN+2H"	125.094202
"1710733"	714.433985	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+NH4+CF3COOH"	132.026685
"1647475"	719.38938	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+Na+CF3COOH"	136.98208
"1586404"	735.36332	"C16347"	"Deinoxanthin"	"C40H54O3"	"582.4073"	"M+K+CF3COOH"	152.95602
"806929"	89.9872	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M"	0
"979366"	70.96881	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H2O-H"	-19.01839
"77333"	58.9841906666667	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-3H"	-3.021828
"510452"	88.979924	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-3H"	-3.021828
"889348"	28.9884573333333	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-3H"	-3.021828
"11934"	88.979924	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H"	-2.014552
"449671"	133.973524	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H"	-2.014552
"827472"	43.986324	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H"	-2.014552
"85276"	178.967124	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-H"	-1.007276
"525930"	268.954324	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-H"	-1.007276
"903733"	88.979924	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H"	-1.007276
"47777"	195.993671	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H+NH4"	16.019271
"488186"	285.980871	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H+NH4"	16.019271
"870003"	106.006471	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H+NH4"	16.019271
"34623"	200.949066	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H+Na"	20.974666
"471791"	290.936266	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H+Na"	20.974666
"850523"	110.961866	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H+Na"	20.974666
"1626991"	110.961866	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na-2H"	20.974666
"100240"	106.968263	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-H+Cl"	33.962126
"537612"	151.961863	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-H+Cl"	33.962126
"930396"	61.974663	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+Cl"	33.962126
"270779"	214.943802	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Cl"	34.969402
"663562"	304.931002	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+Cl"	34.969402
"1275966"	124.956602	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl"	34.969402
"15878"	216.923006	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M-2H+K"	36.948606
"455887"	306.910206	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M-2H+K"	36.948606
"834424"	126.935806	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-2H+K"	36.948606
"1556454"	126.935806	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K-2H"	36.948606
"945064"	134.985394	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+HCOOH"	44.998194
"362187"	224.972601	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+HCOOH-H"	44.998201
"347892"	238.988251	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Hac-H"	59.013851
"1493123"	149.001051	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Hac-H"	59.013851
"960751"	156.967351	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+NaCOOH"	66.980151
"110668"	124.956602	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2Cl"	69.938804
"551283"	169.950202	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2Cl"	69.938804
"1021619"	79.963002	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2Cl"	69.938804
"1241481"	168.906085	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Br"	78.918885
"1311232"	170.962072	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl+HCOOH"	80.974872
"1328729"	192.944029	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl+NaCOOH"	102.956829
"927048"	202.972786	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M-H+CF3COOH"	112.985586
"1300873"	238.949464	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Cl+CF3COOH"	148.962264
"1379035"	54.974524	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H-2H2O"	-35.012676
"1393251"	72.9845	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H-H2O"	-17.0027
"291843"	180.981676	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H"	1.007276
"683171"	270.968876	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H"	1.007276
"1356238"	90.994476	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H"	1.007276
"129126"	90.994476	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2H"	2.014552
"571970"	135.988076	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2H"	2.014552
"1040768"	46.000876	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2H"	2.014552
"204779"	60.9987426666667	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+3H"	3.021828
"648228"	90.994476	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+3H"	3.021828
"1167450"	31.0030093333333	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+3H"	3.021828
"427442"	198.008223	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+NH4"	18.033823
"787342"	287.995423	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+NH4"	18.033823
"1683673"	108.021023	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+NH4"	18.033823
"334137"	99.5077495	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H+NH4"	19.041099
"727652"	144.5013495	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H+NH4"	19.041099
"1477582"	54.5141495	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+NH4"	19.041099
"399061"	202.963618	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Na"	22.989218
"765525"	292.950818	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+Na"	22.989218
"1610342"	112.976418	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na"	22.989218
"321475"	101.985447	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H+Na"	23.996494
"714990"	146.979047	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H+Na"	23.996494
"1468807"	56.991847	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+Na"	23.996494
"1062054"	38.3303233333333	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2H+Na"	25.00377
"1264830"	123.020686	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+CH3OH+H"	33.033486
"382313"	218.937558	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+K"	38.963158
"747685"	308.924758	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+K"	38.963158
"1544270"	128.950358	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K"	38.963158
"303634"	109.972417	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+H+K"	39.970434
"694960"	154.966017	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+H+K"	39.970434
"1453159"	64.978817	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+K"	39.970434
"239570"	222.008226	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+ACN+H"	42.033826
"1217751"	132.021026	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+ACN+H"	42.033826
"1206377"	66.514151	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+ACN+2H"	43.041102
"203140"	224.94556	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2Na-H"	44.97116
"644141"	314.93276	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2Na-H"	44.97116
"1144502"	134.95836	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2Na-H"	44.97116
"185973"	112.976418	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2Na"	45.978436
"628390"	157.970018	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2Na"	45.978436
"1130134"	67.982818	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2Na"	45.978436
"1412564"	45.6576373333333	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+2Na"	46.985712
"1437388"	136.999946	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+HCOOH"	47.012746
"228175"	118.00944	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+3H2O+2H"	56.04448
"1516237"	151.05199	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+IsoProp+H"	61.06479
"415923"	120.963388	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+Na+K"	61.952376
"774732"	165.956988	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+Na+K"	61.952376
"1675441"	75.969788	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na+K"	61.952376
"267120"	243.990168	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+ACN+Na"	64.015768
"1239780"	154.002968	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+ACN+Na"	64.015768
"1725752"	154.026493	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+NH4+HCOOH"	64.039293
"1191472"	52.9849513333333	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+3Na"	68.967654
"1662460"	158.981888	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na+HCOOH"	68.994688
"165677"	256.89344	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2K-H"	76.91904
"608151"	346.88064	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2K-H"	76.91904
"1098132"	166.90624	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2K-H"	76.91904
"156170"	128.950358	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"2M+2K"	77.926316
"593784"	173.943958	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"3M+2K"	77.926316
"1077200"	83.956758	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2K"	77.926316
"1111505"	168.920792	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2K+H"	78.933592
"1346797"	169.008407	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+DMSO+H"	79.021207
"1018242"	173.047576	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2ACN+H"	83.060376
"1536734"	174.041208	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+IsoProp+Na+H"	84.054008
"1004764"	87.027426	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+2ACN+2H"	84.067652
"1602563"	174.955828	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K+HCOOH"	84.968628
"1429744"	204.987338	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+H+CF3COOH"	115.000138
"1162021"	107.540701	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+3ACN+2H"	125.094202
"1712686"	222.013885	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+NH4+CF3COOH"	132.026685
"1647585"	226.96928	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+Na+CF3COOH"	136.98208
"1586514"	242.94322	"C16348"	"cis-3-Chloroallyl aldehyde;cis-3-Chloro-2-propenal"	"C3H3ClO"	"89.9872"	"M+K+CF3COOH"	152.95602
"810320"	741.2031	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M"	0
"974288"	722.18471	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-H2O-H"	-19.01839
"76837"	493.128124	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M-3H"	-3.021828
"510563"	740.195824	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M-3H"	-3.021828
"887272"	246.060424	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-3H"	-3.021828
"10221"	740.195824	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M-2H"	-2.014552
"448687"	1110.797374	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M-2H"	-2.014552
"827583"	369.594274	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-2H"	-2.014552
"84292"	1481.398924	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M-H"	-1.007276
"519352"	2222.602024	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M-H"	-1.007276
"897396"	740.195824	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-H"	-1.007276
"47393"	1498.425471	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M-2H+NH4"	16.019271
"487436"	2239.628571	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M-2H+NH4"	16.019271
"864875"	757.222371	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-2H+NH4"	16.019271
"31802"	1503.380866	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M-2H+Na"	20.974666
"471538"	2244.583966	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M-2H+Na"	20.974666
"848547"	762.177766	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-2H+Na"	20.974666
"1629289"	762.177766	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Na-2H"	20.974666
"97071"	758.184163	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M-H+Cl"	33.962126
"534802"	1128.785713	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M-H+Cl"	33.962126
"931236"	387.582613	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-H+Cl"	33.962126
"270159"	1517.375602	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+Cl"	34.969402
"662578"	2258.578702	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+Cl"	34.969402
"1276077"	776.172502	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Cl"	34.969402
"15769"	1519.354806	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M-2H+K"	36.948606
"455690"	2260.557906	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M-2H+K"	36.948606
"832960"	778.151706	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-2H+K"	36.948606
"1555949"	778.151706	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+K-2H"	36.948606
"942856"	786.201294	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-H+HCOOH"	44.998194
"361409"	1527.404401	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+HCOOH-H"	44.998201
"346422"	1541.420051	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+Hac-H"	59.013851
"1493194"	800.216951	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Hac-H"	59.013851
"962201"	808.183251	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-H+NaCOOH"	66.980151
"110740"	776.172502	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+2Cl"	69.938804
"550663"	1146.774052	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+2Cl"	69.938804
"1022380"	405.570952	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2Cl"	69.938804
"1242078"	820.121985	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Br"	78.918885
"1309153"	822.177972	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Cl+HCOOH"	80.974872
"1322277"	844.159929	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Cl+NaCOOH"	102.956829
"923182"	854.188686	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M-H+CF3COOH"	112.985586
"1296609"	890.165364	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Cl+CF3COOH"	148.962264
"1373678"	706.190424	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H-2H2O"	-35.012676
"1387893"	724.2004	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H-H2O"	-17.0027
"287580"	1483.413476	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+H"	1.007276
"683281"	2224.616576	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+H"	1.007276
"1353067"	742.210376	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H"	1.007276
"131423"	742.210376	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+2H"	2.014552
"567702"	1112.811926	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+2H"	2.014552
"1041971"	371.608826	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2H"	2.014552
"204414"	495.142676	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+3H"	3.021828
"645058"	742.210376	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+3H"	3.021828
"1166467"	248.074976	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+3H"	3.021828
"429739"	1500.440023	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+NH4"	18.033823
"787452"	2241.643123	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+NH4"	18.033823
"1683783"	759.236923	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+NH4"	18.033823
"331088"	750.7236495	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+H+NH4"	19.041099
"723630"	1121.3251995	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+H+NH4"	19.041099
"1477326"	380.1220995	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H+NH4"	19.041099
"397349"	1505.395418	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+Na"	22.989218
"759075"	2246.598518	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+Na"	22.989218
"1608266"	764.192318	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Na"	22.989218
"319399"	753.201347	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+H+Na"	23.996494
"714005"	1123.802897	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+H+Na"	23.996494
"1467095"	382.599797	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H+Na"	23.996494
"1059976"	255.40229	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2H+Na"	25.00377
"1261655"	774.236586	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+CH3OH+H"	33.033486
"382422"	1521.369358	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+K"	38.963158
"747795"	2262.572458	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+K"	38.963158
"1544380"	780.166258	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+K"	38.963158
"303744"	761.188317	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+H+K"	39.970434
"693976"	1131.789867	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+H+K"	39.970434
"1447798"	390.586767	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H+K"	39.970434
"236398"	1524.440026	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+ACN+H"	42.033826
"1216768"	783.236926	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+ACN+H"	42.033826
"1203933"	392.122101	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+ACN+2H"	43.041102
"196804"	1527.37736	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+2Na-H"	44.97116
"637458"	2268.58046	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+2Na-H"	44.97116
"1139870"	786.17426	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2Na-H"	44.97116
"179881"	764.192318	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+2Na"	45.978436
"626980"	1134.793868	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+2Na"	45.978436
"1128419"	393.590768	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2Na"	45.978436
"1412674"	262.729604	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H+2Na"	46.985712
"1437498"	788.215846	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H+HCOOH"	47.012746
"226098"	769.22534	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+3H2O+2H"	56.04448
"1514160"	802.26789	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+IsoProp+H"	61.06479
"410930"	772.179288	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+Na+K"	61.952376
"772656"	1142.780838	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+Na+K"	61.952376
"1672270"	401.577738	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Na+K"	61.952376
"266941"	1546.421968	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+ACN+Na"	64.015768
"1240622"	805.218868	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+ACN+Na"	64.015768
"1725497"	805.242393	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+NH4+HCOOH"	64.039293
"1192309"	270.056918	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+3Na"	68.967654
"1662566"	810.197788	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Na+HCOOH"	68.994688
"169063"	1559.32524	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+2K-H"	76.91904
"608625"	2300.52834	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+2K-H"	76.91904
"1096055"	818.12214	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2K-H"	76.91904
"156644"	780.166258	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"2M+2K"	77.926316
"594990"	1150.767808	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"3M+2K"	77.926316
"1081686"	409.564708	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2K"	77.926316
"1113803"	820.136692	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2K+H"	78.933592
"1349094"	820.224307	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+DMSO+H"	79.021207
"1017623"	824.263476	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2ACN+H"	83.060376
"1538060"	825.257108	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+IsoProp+Na+H"	84.054008
"1005628"	412.635376	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+2ACN+2H"	84.067652
"1602688"	826.171728	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+K+HCOOH"	84.968628
"1427828"	856.203238	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+H+CF3COOH"	115.000138
"1162713"	433.148651	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+3ACN+2H"	125.094202
"1712712"	873.229785	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+NH4+CF3COOH"	132.026685
"1647695"	878.18518	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+Na+CF3COOH"	136.98208
"1586624"	894.15912	"C16349"	"Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O17"	"741.2031"	"M+K+CF3COOH"	152.95602
"810430"	757.198	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M"	0
"974849"	738.17961	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-H2O-H"	-19.01839
"77433"	503.791390666667	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M-3H"	-3.021828
"510673"	756.190724	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M-3H"	-3.021828
"892850"	251.392057333333	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-3H"	-3.021828
"10331"	756.190724	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M-2H"	-2.014552
"448797"	1134.789724	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M-2H"	-2.014552
"827693"	377.591724	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-2H"	-2.014552
"84402"	1513.388724	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M-H"	-1.007276
"521772"	2270.586724	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M-H"	-1.007276
"897506"	756.190724	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-H"	-1.007276
"49571"	1530.415271	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M-2H+NH4"	16.019271
"488405"	2287.613271	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M-2H+NH4"	16.019271
"866935"	773.217271	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-2H+NH4"	16.019271
"33742"	1535.370666	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M-2H+Na"	20.974666
"472083"	2292.568666	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M-2H+Na"	20.974666
"848872"	778.172666	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-2H+Na"	20.974666
"1629399"	778.172666	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Na-2H"	20.974666
"98273"	774.179063	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M-H+Cl"	33.962126
"536374"	1152.778063	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M-H+Cl"	33.962126
"932804"	395.580063	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-H+Cl"	33.962126
"270269"	1549.365402	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+Cl"	34.969402
"665239"	2306.563402	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+Cl"	34.969402
"1280196"	792.167402	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Cl"	34.969402
"17283"	1551.344606	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M-2H+K"	36.948606
"456354"	2308.542606	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M-2H+K"	36.948606
"832869"	794.146606	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-2H+K"	36.948606
"1556308"	794.146606	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+K-2H"	36.948606
"943339"	802.196194	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-H+HCOOH"	44.998194
"362771"	1559.394201	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+HCOOH-H"	44.998201
"345923"	1573.409851	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+Hac-H"	59.013851
"1495126"	816.211851	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Hac-H"	59.013851
"962306"	824.178151	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-H+NaCOOH"	66.980151
"113401"	792.167402	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+2Cl"	69.938804
"552233"	1170.766402	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+2Cl"	69.938804
"1023948"	413.568402	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2Cl"	69.938804
"1243523"	836.116885	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Br"	78.918885
"1309263"	838.172872	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Cl+HCOOH"	80.974872
"1323480"	860.154829	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Cl+NaCOOH"	102.956829
"923292"	870.183586	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M-H+CF3COOH"	112.985586
"1298906"	906.160264	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Cl+CF3COOH"	148.962264
"1373788"	722.185324	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H-2H2O"	-35.012676
"1388001"	740.1953	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H-H2O"	-17.0027
"288783"	1515.403276	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+H"	1.007276
"681204"	2272.601276	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+H"	1.007276
"1353541"	758.205276	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H"	1.007276
"131533"	758.205276	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+2H"	2.014552
"567447"	1136.804276	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+2H"	2.014552
"1039894"	379.606276	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2H"	2.014552
"206702"	505.805942666667	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+3H"	3.021828
"649542"	758.205276	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+3H"	3.021828
"1166575"	253.406609333333	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+3H"	3.021828
"428026"	1532.429823	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+NH4"	18.033823
"788290"	2289.627823	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+NH4"	18.033823
"1683890"	775.231823	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+NH4"	18.033823
"331802"	766.7185495	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+H+NH4"	19.041099
"723368"	1145.3175495	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+H+NH4"	19.041099
"1477922"	388.1195495	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H+NH4"	19.041099
"399281"	1537.385218	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+Na"	22.989218
"761371"	2294.583218	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+Na"	22.989218
"1609469"	780.187218	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Na"	22.989218
"319869"	769.196247	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+H+Na"	23.996494
"711926"	1147.795247	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+H+Na"	23.996494
"1465016"	390.597247	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H+Na"	23.996494
"1057532"	260.733923333333	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2H+Na"	25.00377
"1260671"	790.231486	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+CH3OH+H"	33.033486
"381435"	1553.359158	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+K"	38.963158
"745718"	2310.557158	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+K"	38.963158
"1541210"	796.161158	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+K"	38.963158
"299476"	777.183217	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+H+K"	39.970434
"692993"	1155.782217	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+H+K"	39.970434
"1446815"	398.584217	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H+K"	39.970434
"236506"	1556.429826	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+ACN+H"	42.033826
"1216878"	799.231826	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+ACN+H"	42.033826
"1204043"	400.119551	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+ACN+2H"	43.041102
"198007"	1559.36716	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+2Na-H"	44.97116
"637568"	2316.56516	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+2Na-H"	44.97116
"1139980"	802.16916	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2Na-H"	44.97116
"178898"	780.187218	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+2Na"	45.978436
"625752"	1158.786218	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+2Na"	45.978436
"1129258"	401.588218	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2Na"	45.978436
"1412420"	268.061237333333	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H+2Na"	46.985712
"1438701"	804.210746	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H+HCOOH"	47.012746
"226208"	785.22024	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+3H2O+2H"	56.04448
"1514270"	818.26279	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+IsoProp+H"	61.06479
"411769"	788.174188	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+Na+K"	61.952376
"774952"	1166.773188	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+Na+K"	61.952376
"1670193"	409.575188	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Na+K"	61.952376
"265471"	1578.411768	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+ACN+Na"	64.015768
"1239275"	821.213768	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+ACN+Na"	64.015768
"1725607"	821.237293	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+NH4+HCOOH"	64.039293
"1191327"	275.388551333333	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+3Na"	68.967654
"1662679"	826.192688	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Na+HCOOH"	68.994688
"167714"	1591.31504	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+2K-H"	76.91904
"604356"	2348.51304	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+2K-H"	76.91904
"1093977"	834.11704	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2K-H"	76.91904
"156633"	796.161158	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"2M+2K"	77.926316
"595709"	1174.760158	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"3M+2K"	77.926316
"1080339"	417.562158	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2K"	77.926316
"1112820"	836.131592	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2K+H"	78.933592
"1348839"	836.219207	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+DMSO+H"	79.021207
"1017733"	840.258376	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2ACN+H"	83.060376
"1538656"	841.252008	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+IsoProp+Na+H"	84.054008
"1005623"	420.632826	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+2ACN+2H"	84.067652
"1602645"	842.166628	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+K+HCOOH"	84.968628
"1427574"	872.198138	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+H+CF3COOH"	115.000138
"1162567"	441.146101	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+3ACN+2H"	125.094202
"1712033"	889.224685	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+NH4+CF3COOH"	132.026685
"1647805"	894.18008	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+Na+CF3COOH"	136.98208
"1586734"	910.15402	"C16350"	"Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O18"	"757.198"	"M+K+CF3COOH"	152.95602
"810540"	773.1929	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M"	0
"977510"	754.17451	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-H2O-H"	-19.01839
"77421"	514.454657333333	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M-3H"	-3.021828
"510783"	772.185624	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M-3H"	-3.021828
"894053"	256.723690666667	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-3H"	-3.021828
"12627"	772.185624	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M-2H"	-2.014552
"447813"	1158.782074	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M-2H"	-2.014552
"829625"	385.589174	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-2H"	-2.014552
"86698"	1545.378524	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M-H"	-1.007276
"521882"	2318.571424	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M-H"	-1.007276
"898589"	772.185624	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-H"	-1.007276
"51869"	1562.405071	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M-2H+NH4"	16.019271
"490338"	2335.597971	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M-2H+NH4"	16.019271
"868138"	789.212171	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-2H+NH4"	16.019271
"33852"	1567.360466	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M-2H+Na"	20.974666
"471751"	2340.553366	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M-2H+Na"	20.974666
"849271"	794.167566	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-2H+Na"	20.974666
"1621850"	794.167566	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Na-2H"	20.974666
"102758"	790.173963	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M-H+Cl"	33.962126
"539400"	1176.770413	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M-H+Cl"	33.962126
"933643"	403.577513	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-H+Cl"	33.962126
"272566"	1581.355202	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+Cl"	34.969402
"667537"	2354.548102	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+Cl"	34.969402
"1281036"	808.162302	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Cl"	34.969402
"18486"	1583.334406	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M-2H+K"	36.948606
"457558"	2356.527306	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M-2H+K"	36.948606
"834755"	810.141506	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-2H+K"	36.948606
"1556177"	810.141506	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+K-2H"	36.948606
"945032"	818.191094	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-H+HCOOH"	44.998194
"362882"	1591.384001	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+HCOOH-H"	44.998201
"346034"	1605.399651	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+Hac-H"	59.013851
"1495236"	832.206751	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Hac-H"	59.013851
"963147"	840.173051	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-H+NaCOOH"	66.980151
"114607"	808.162302	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+2Cl"	69.938804
"554895"	1194.758752	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+2Cl"	69.938804
"1022962"	421.565852	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2Cl"	69.938804
"1245458"	852.111785	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Br"	78.918885
"1304626"	854.167772	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Cl+HCOOH"	80.974872
"1323952"	876.149729	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Cl+NaCOOH"	102.956829
"923401"	886.178486	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M-H+CF3COOH"	112.985586
"1300109"	922.155164	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Cl+CF3COOH"	148.962264
"1376083"	738.180224	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H-2H2O"	-35.012676
"1390298"	756.1902	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H-H2O"	-17.0027
"285243"	1547.393076	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+H"	1.007276
"682407"	2320.585976	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+H"	1.007276
"1355838"	774.200176	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H"	1.007276
"129820"	774.200176	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+2H"	2.014552
"566705"	1160.796626	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+2H"	2.014552
"1041461"	387.603726	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2H"	2.014552
"207906"	516.469209333333	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+3H"	3.021828
"647466"	774.200176	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+3H"	3.021828
"1166685"	258.738242666667	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+3H"	3.021828
"428864"	1564.419623	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+NH4"	18.033823
"788765"	2337.612523	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+NH4"	18.033823
"1682907"	791.226723	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+NH4"	18.033823
"330572"	782.7134495	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+H+NH4"	19.041099
"723356"	1169.3098995	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+H+NH4"	19.041099
"1477912"	396.1169995	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H+NH4"	19.041099
"399755"	1569.375018	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+Na"	22.989218
"762574"	2342.567918	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+Na"	22.989218
"1609943"	796.182118	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Na"	22.989218
"319979"	785.191147	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+H+Na"	23.996494
"708507"	1171.787597	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+H+Na"	23.996494
"1465126"	398.594697	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H+Na"	23.996494
"1053996"	266.065556666667	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2H+Na"	25.00377
"1260780"	806.226386	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+CH3OH+H"	33.033486
"378991"	1585.348958	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+K"	38.963158
"744735"	2358.541858	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+K"	38.963158
"1542413"	812.156058	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+K"	38.963158
"300681"	793.178117	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+H+K"	39.970434
"692616"	1179.774567	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+H+K"	39.970434
"1448018"	406.581667	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H+K"	39.970434
"235899"	1588.419626	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+ACN+H"	42.033826
"1216988"	815.226726	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+ACN+H"	42.033826
"1205246"	408.117001	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+ACN+2H"	43.041102
"201033"	1591.35696	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+2Na-H"	44.97116
"638771"	2364.54986	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+2Na-H"	44.97116
"1141184"	818.16406	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2Na-H"	44.97116
"185568"	796.182118	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+2Na"	45.978436
"627929"	1182.778568	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+2Na"	45.978436
"1129732"	409.585668	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2Na"	45.978436
"1409978"	273.392870666667	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H+2Na"	46.985712
"1436624"	820.205646	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H+HCOOH"	47.012746
"227411"	801.21514	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+3H2O+2H"	56.04448
"1514380"	834.25769	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+IsoProp+H"	61.06479
"412972"	804.169088	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+Na+K"	61.952376
"776155"	1190.765538	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+Na+K"	61.952376
"1672488"	417.572638	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Na+K"	61.952376
"263759"	1610.401568	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+ACN+Na"	64.015768
"1240114"	837.208668	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+ACN+Na"	64.015768
"1722073"	837.232193	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+NH4+HCOOH"	64.039293
"1191072"	280.720184666667	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+3Na"	68.967654
"1662788"	842.187588	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Na+HCOOH"	68.994688
"165638"	1623.30484	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+2K-H"	76.91904
"605196"	2396.49774	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+2K-H"	76.91904
"1088977"	850.11194	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2K-H"	76.91904
"155772"	812.156058	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"2M+2K"	77.926316
"595819"	1198.752508	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"3M+2K"	77.926316
"1077533"	425.559608	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2K"	77.926316
"1112930"	852.126492	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2K+H"	78.933592
"1347127"	852.214107	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+DMSO+H"	79.021207
"1016750"	856.253276	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2ACN+H"	83.060376
"1537064"	857.246908	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+IsoProp+Na+H"	84.054008
"1005216"	428.630276	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+2ACN+2H"	84.067652
"1602637"	858.161528	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+K+HCOOH"	84.968628
"1427320"	888.193038	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+H+CF3COOH"	115.000138
"1162595"	449.143551	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+3ACN+2H"	125.094202
"1712263"	905.219585	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+NH4+CF3COOH"	132.026685
"1649008"	910.17498	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+Na+CF3COOH"	136.98208
"1586844"	926.14892	"C16351"	"Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)"	"C36H37O19"	"773.1929"	"M+K+CF3COOH"	152.95602
"810650"	299.0992	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M"	0
"976891"	280.08081	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-H2O-H"	-19.01839
"78480"	198.392190666667	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M-3H"	-3.021828
"514173"	298.091924	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M-3H"	-3.021828
"894164"	98.6924573333333	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-3H"	-3.021828
"12737"	298.091924	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M-2H"	-2.014552
"450110"	447.641524	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M-2H"	-2.014552
"830828"	148.542324	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-2H"	-2.014552
"85716"	597.191124	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M-H"	-1.007276
"523087"	896.290324	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M-H"	-1.007276
"899792"	298.091924	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-H"	-1.007276
"49793"	614.217671	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M-2H+NH4"	16.019271
"488626"	913.316871	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M-2H+NH4"	16.019271
"865332"	315.118471	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-2H+NH4"	16.019271
"33355"	619.173066	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M-2H+Na"	20.974666
"473038"	918.272266	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M-2H+Na"	20.974666
"850357"	320.073866	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-2H+Na"	20.974666
"1624147"	320.073866	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Na-2H"	20.974666
"102868"	316.080263	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M-H+Cl"	33.962126
"541332"	465.629863	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M-H+Cl"	33.962126
"934846"	166.530663	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-H+Cl"	33.962126
"274499"	633.167802	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+Cl"	34.969402
"671293"	932.267002	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+Cl"	34.969402
"1280418"	334.068602	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Cl"	34.969402
"19326"	635.147006	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M-2H+K"	36.948606
"459978"	934.246206	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M-2H+K"	36.948606
"834865"	336.047806	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-2H+K"	36.948606
"1556893"	336.047806	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+K-2H"	36.948606
"945142"	344.097394	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-H+HCOOH"	44.998194
"362630"	643.196601	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+HCOOH-H"	44.998201
"346875"	657.212251	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+Hac-H"	59.013851
"1494254"	358.113051	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Hac-H"	59.013851
"963622"	366.079351	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-H+NaCOOH"	66.980151
"114717"	334.068602	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+2Cl"	69.938804
"553186"	483.618202	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+2Cl"	69.938804
"1025262"	184.519002	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2Cl"	69.938804
"1244841"	378.018085	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Br"	78.918885
"1306195"	380.074072	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Cl+HCOOH"	80.974872
"1320168"	402.056029	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Cl+NaCOOH"	102.956829
"924969"	412.084786	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M-H+CF3COOH"	112.985586
"1301312"	448.061464	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Cl+CF3COOH"	148.962264
"1380567"	264.086524	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H-2H2O"	-35.012676
"1389314"	282.0965	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H-H2O"	-17.0027
"285719"	599.205676	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+H"	1.007276
"679234"	898.304876	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+H"	1.007276
"1353395"	300.106476	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H"	1.007276
"126284"	300.106476	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+2H"	2.014552
"569126"	449.656076	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+2H"	2.014552
"1040477"	150.556876	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2H"	2.014552
"210200"	200.406742666667	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+3H"	3.021828
"646845"	300.106476	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+3H"	3.021828
"1164971"	100.707009333333	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+3H"	3.021828
"428974"	616.232223	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+NH4"	18.033823
"789603"	915.331423	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+NH4"	18.033823
"1684110"	317.133023	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+NH4"	18.033823
"330440"	308.6197495	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+H+NH4"	19.041099
"723348"	458.1693495	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+H+NH4"	19.041099
"1477091"	159.0701495	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H+NH4"	19.041099
"392916"	621.187618	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+Na"	22.989218
"754239"	920.286818	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+Na"	22.989218
"1612969"	322.088418	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Na"	22.989218
"323005"	311.097447	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+H+Na"	23.996494
"707523"	460.647047	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+H+Na"	23.996494
"1468153"	161.547847	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H+Na"	23.996494
"1055565"	108.034323333333	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2H+Na"	25.00377
"1259433"	332.132686	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+CH3OH+H"	33.033486
"379463"	637.161558	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+K"	38.963158
"742657"	936.260758	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+K"	38.963158
"1541430"	338.062358	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+K"	38.963158
"301885"	319.084417	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+H+K"	39.970434
"696494"	468.634017	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+H+K"	39.970434
"1450315"	169.534817	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H+K"	39.970434
"238916"	640.232226	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+ACN+H"	42.033826
"1218191"	341.133026	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+ACN+H"	42.033826
"1206085"	171.070151	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+ACN+2H"	43.041102
"200414"	643.16956	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+2Na-H"	44.97116
"638880"	942.26876	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+2Na-H"	44.97116
"1143481"	344.07036	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2Na-H"	44.97116
"184585"	322.088418	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+2Na"	45.978436
"628040"	471.638018	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+2Na"	45.978436
"1130450"	172.538818	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2Na"	45.978436
"1408992"	115.361637333333	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H+2Na"	46.985712
"1440013"	346.111946	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H+HCOOH"	47.012746
"226428"	327.12144	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+3H2O+2H"	56.04448
"1511209"	360.16399	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+IsoProp+H"	61.06479
"413080"	330.075388	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+Na+K"	61.952376
"779546"	479.624988	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+Na+K"	61.952376
"1673692"	180.525788	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Na+K"	61.952376
"264235"	662.214168	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+ACN+Na"	64.015768
"1240588"	363.114968	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+ACN+Na"	64.015768
"1725464"	363.138493	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+NH4+HCOOH"	64.039293
"1190086"	122.688951333333	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+3Na"	68.967654
"1661438"	368.093888	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Na+HCOOH"	68.994688
"166110"	675.11744	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+2K-H"	76.91904
"605669"	974.21664	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+2K-H"	76.91904
"1090180"	376.01824	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2K-H"	76.91904
"144810"	338.062358	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"2M+2K"	77.926316
"594106"	487.611958	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"3M+2K"	77.926316
"1079465"	188.512758	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2K"	77.926316
"1112676"	378.032792	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2K+H"	78.933592
"1349060"	378.120407	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+DMSO+H"	79.021207
"1017225"	382.159576	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2ACN+H"	83.060376
"1534987"	383.153208	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+IsoProp+Na+H"	84.054008
"1003623"	191.583426	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+2ACN+2H"	84.067652
"1602261"	384.067828	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+K+HCOOH"	84.968628
"1424878"	414.099338	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+H+CF3COOH"	115.000138
"1162459"	212.096701	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+3ACN+2H"	125.094202
"1710186"	431.125885	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+NH4+CF3COOH"	132.026685
"1648025"	436.08128	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+Na+CF3COOH"	136.98208
"1586954"	452.05522	"C16352"	"7-Methylxanthosine"	"C11H15N4O6"	"299.0992"	"M+K+CF3COOH"	152.95602
"810760"	166.0491	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M"	0
"975179"	147.03071	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H2O-H"	-19.01839
"78005"	109.692124	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-3H"	-3.021828
"511003"	165.041824	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-3H"	-3.021828
"894760"	54.342424	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-3H"	-3.021828
"12847"	165.041824	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H"	-2.014552
"453500"	248.066374	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H"	-2.014552
"832401"	82.017274	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H"	-2.014552
"89107"	331.090924	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-H"	-1.007276
"522104"	497.140024	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-H"	-1.007276
"897718"	165.041824	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H"	-1.007276
"48203"	348.117471	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+NH4"	16.019271
"490561"	514.166571	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+NH4"	16.019271
"864715"	182.068371	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+NH4"	16.019271
"31553"	353.072866	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+Na"	20.974666
"471497"	519.121966	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+Na"	20.974666
"848538"	187.023766	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+Na"	20.974666
"1624257"	187.023766	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na-2H"	20.974666
"105167"	183.030163	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-H+Cl"	33.962126
"539258"	266.054713	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-H+Cl"	33.962126
"936053"	100.005613	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+Cl"	33.962126
"279714"	367.067602	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Cl"	34.969402
"673591"	533.116702	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Cl"	34.969402
"1281623"	201.018502	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl"	34.969402
"18709"	369.046806	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+K"	36.948606
"460454"	535.095906	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+K"	36.948606
"837164"	202.997706	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+K"	36.948606
"1557371"	202.997706	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K-2H"	36.948606
"943796"	211.047294	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+HCOOH"	44.998194
"363104"	377.096401	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+HCOOH-H"	44.998201
"346743"	391.112051	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Hac-H"	59.013851
"1494364"	225.062951	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Hac-H"	59.013851
"963732"	233.029251	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+NaCOOH"	66.980151
"114827"	201.018502	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Cl"	69.938804
"557670"	284.043052	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Cl"	69.938804
"1025375"	117.993952	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Cl"	69.938804
"1249326"	244.967985	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Br"	78.918885
"1306307"	247.023972	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+HCOOH"	80.974872
"1320889"	269.005929	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+NaCOOH"	102.956829
"911742"	279.034686	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+CF3COOH"	112.985586
"1301422"	315.011364	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+CF3COOH"	148.962264
"1380677"	131.036424	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H-2H2O"	-35.012676
"1389424"	149.0464	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H-H2O"	-17.0027
"289109"	333.105476	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H"	1.007276
"679344"	499.154576	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H"	1.007276
"1352776"	167.056376	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H"	1.007276
"130768"	167.056376	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2H"	2.014552
"570329"	250.080926	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2H"	2.014552
"1040587"	84.031826	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2H"	2.014552
"209217"	111.706676	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+3H"	3.021828
"646955"	167.056376	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+3H"	3.021828
"1165809"	56.356976	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3H"	3.021828
"427990"	350.132023	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+NH4"	18.033823
"788619"	516.181123	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+NH4"	18.033823
"1681375"	184.082923	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4"	18.033823
"330186"	175.5696495	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+NH4"	19.041099
"723007"	258.5941995	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+NH4"	19.041099
"1477190"	92.5450995	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+NH4"	19.041099
"393648"	355.087418	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Na"	22.989218
"755251"	521.136518	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Na"	22.989218
"1602815"	189.038318	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na"	22.989218
"314440"	178.047347	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+Na"	23.996494
"707194"	261.071897	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+Na"	23.996494
"1461405"	95.022797	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+Na"	23.996494
"1052951"	63.68429	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2H+Na"	25.00377
"1257719"	199.082586	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+CH3OH+H"	33.033486
"379941"	371.061358	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+K"	38.963158
"739844"	537.110458	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+K"	38.963158
"1540060"	205.012258	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K"	38.963158
"299808"	186.034317	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+K"	39.970434
"693324"	269.058867	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+K"	39.970434
"1450425"	103.009767	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+K"	39.970434
"241214"	374.132026	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+ACN+H"	42.033826
"1210232"	208.082926	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+H"	42.033826
"1204369"	104.545101	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+2H"	43.041102
"202348"	377.06936	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Na-H"	44.97116
"643370"	543.11846	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Na-H"	44.97116
"1143591"	211.02026	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Na-H"	44.97116
"188447"	189.038318	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Na"	45.978436
"625351"	272.062868	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Na"	45.978436
"1124483"	106.013768	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Na"	45.978436
"1404728"	71.011604	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+2Na"	46.985712
"1436844"	213.061846	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+HCOOH"	47.012746
"224351"	194.07134	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+3H2O+2H"	56.04448
"1513505"	227.11389	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+IsoProp+H"	61.06479
"411006"	197.025288	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Na+K"	61.952376
"773094"	280.049838	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Na+K"	61.952376
"1670518"	114.000738	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+K"	61.952376
"264341"	396.113968	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+ACN+Na"	64.015768
"1236685"	230.064868	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+Na"	64.015768
"1721925"	230.088393	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4+HCOOH"	64.039293
"1187277"	78.338918	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3Na"	68.967654
"1660446"	235.043788	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+HCOOH"	68.994688
"165122"	409.01724	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2K-H"	76.91904
"604684"	575.06634	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2K-H"	76.91904
"1094660"	242.96814	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K-H"	76.91904
"146009"	205.012258	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2K"	77.926316
"591782"	288.036808	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2K"	77.926316
"1081029"	121.987708	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K"	77.926316
"1109865"	244.982692	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K+H"	78.933592
"1345154"	245.070307	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+DMSO+H"	79.021207
"1012590"	249.109476	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2ACN+H"	83.060376
"1533999"	250.103108	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+IsoProp+Na+H"	84.054008
"1001539"	125.058376	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2ACN+2H"	84.067652
"1596043"	251.017728	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K+HCOOH"	84.968628
"1424983"	281.049238	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+CF3COOH"	115.000138
"1155274"	145.571651	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3ACN+2H"	125.094202
"1704825"	298.075785	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4+CF3COOH"	132.026685
"1642664"	303.03118	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+CF3COOH"	136.98208
"1580502"	319.00512	"C16353"	"7-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K+CF3COOH"	152.95602
"810870"	951.2406	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M"	0
"977841"	932.22221	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-H2O-H"	-19.01839
"75928"	633.153124	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M-3H"	-3.021828
"511113"	950.233324	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M-3H"	-3.021828
"894749"	316.072924	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-3H"	-3.021828
"10771"	950.233324	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M-2H"	-2.014552
"453246"	1425.853624	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M-2H"	-2.014552
"832665"	474.613024	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-2H"	-2.014552
"91041"	1901.473924	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M-H"	-1.007276
"526588"	2852.714524	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M-H"	-1.007276
"899286"	950.233324	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-H"	-1.007276
"51110"	1918.500471	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M-2H+NH4"	16.019271
"492858"	2869.741071	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M-2H+NH4"	16.019271
"868472"	967.259871	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-2H+NH4"	16.019271
"34187"	1923.455866	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M-2H+Na"	20.974666
"473745"	2874.696466	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M-2H+Na"	20.974666
"848669"	972.215266	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-2H+Na"	20.974666
"1623273"	972.215266	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Na-2H"	20.974666
"106367"	968.221663	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M-H+Cl"	33.962126
"538640"	1443.841963	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M-H+Cl"	33.962126
"937256"	492.601363	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-H+Cl"	33.962126
"280067"	1937.450602	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+Cl"	34.969402
"673339"	2888.691202	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+Cl"	34.969402
"1285013"	986.210002	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Cl"	34.969402
"21006"	1939.429806	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M-2H+K"	36.948606
"458378"	2890.670406	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M-2H+K"	36.948606
"839461"	988.189206	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-2H+K"	36.948606
"1558211"	988.189206	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+K-2H"	36.948606
"945000"	996.238794	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-H+HCOOH"	44.998194
"364305"	1947.479401	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+HCOOH-H"	44.998201
"347462"	1961.495051	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+Hac-H"	59.013851
"1494114"	1010.254451	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Hac-H"	59.013851
"961658"	1018.220751	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-H+NaCOOH"	66.980151
"116032"	986.210002	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+2Cl"	69.938804
"557780"	1461.830302	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+2Cl"	69.938804
"1028766"	510.589702	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2Cl"	69.938804
"1250530"	1030.159485	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Br"	78.918885
"1307513"	1032.215472	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Cl+HCOOH"	80.974872
"1320027"	1054.197429	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Cl+NaCOOH"	102.956829
"911689"	1064.226186	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M-H+CF3COOH"	112.985586
"1301530"	1100.202864	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Cl+CF3COOH"	148.962264
"1377505"	916.227924	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H-2H2O"	-35.012676
"1387346"	934.2379	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H-H2O"	-17.0027
"288126"	1903.488476	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+H"	1.007276
"679454"	2854.729076	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+H"	1.007276
"1355802"	952.247876	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H"	1.007276
"129784"	952.247876	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+2H"	2.014552
"570439"	1427.868176	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+2H"	2.014552
"1042516"	476.627576	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2H"	2.014552
"207505"	635.167676	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+3H"	3.021828
"649983"	952.247876	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+3H"	3.021828
"1165191"	318.087476	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+3H"	3.021828
"429194"	1920.515023	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+NH4"	18.033823
"787270"	2871.755623	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+NH4"	18.033823
"1681895"	969.274423	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+NH4"	18.033823
"330294"	960.7611495	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+H+NH4"	19.041099
"722960"	1436.3814495	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+H+NH4"	19.041099
"1477387"	485.1408495	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H+NH4"	19.041099
"394123"	1925.470418	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+Na"	22.989218
"755240"	2876.711018	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+Na"	22.989218
"1607713"	974.229818	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Na"	22.989218
"317027"	963.238847	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+H+Na"	23.996494
"707336"	1438.859147	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+H+Na"	23.996494
"1463991"	487.618547	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H+Na"	23.996494
"1053595"	325.41479	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2H+Na"	25.00377
"1258922"	984.274086	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+CH3OH+H"	33.033486
"380052"	1941.444358	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+K"	38.963158
"740319"	2892.684958	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+K"	38.963158
"1546020"	990.203758	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+K"	38.963158
"303201"	971.225817	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+H+K"	39.970434
"697809"	1446.846117	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+H+K"	39.970434
"1451629"	495.605517	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H+K"	39.970434
"243511"	1944.515026	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+ACN+H"	42.033826
"1210261"	993.274426	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+ACN+H"	42.033826
"1205208"	497.140851	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+ACN+2H"	43.041102
"202947"	1947.45236	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+2Na-H"	44.97116
"644171"	2898.69296	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+2Na-H"	44.97116
"1143580"	996.21176	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2Na-H"	44.97116
"187489"	974.229818	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+2Na"	45.978436
"625340"	1449.850118	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+2Na"	45.978436
"1124593"	498.609518	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2Na"	45.978436
"1409212"	332.742104	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H+2Na"	46.985712
"1439140"	998.253346	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H+HCOOH"	47.012746
"224461"	979.26284	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+3H2O+2H"	56.04448
"1513614"	1012.30539	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+IsoProp+H"	61.06479
"413301"	982.216788	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+Na+K"	61.952376
"775390"	1457.837088	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+Na+K"	61.952376
"1668441"	506.596488	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Na+K"	61.952376
"263723"	1966.496968	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+ACN+Na"	64.015768
"1236431"	1015.256368	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+ACN+Na"	64.015768
"1720578"	1015.279893	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+NH4+HCOOH"	64.039293
"1188115"	340.069418	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+3Na"	68.967654
"1660558"	1020.235288	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Na+HCOOH"	68.994688
"166325"	1979.40024	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+2K-H"	76.91904
"603700"	2930.64084	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+2K-H"	76.91904
"1093677"	1028.15964	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2K-H"	76.91904
"149400"	990.203758	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"2M+2K"	77.926316
"591157"	1465.824058	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"3M+2K"	77.926316
"1078952"	514.583458	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2K"	77.926316
"1109975"	1030.174192	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2K+H"	78.933592
"1345264"	1030.261807	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+DMSO+H"	79.021207
"1017074"	1034.300976	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2ACN+H"	83.060376
"1534109"	1035.294608	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+IsoProp+Na+H"	84.054008
"998371"	517.654126	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+2ACN+2H"	84.067652
"1596156"	1036.209228	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+K+HCOOH"	84.968628
"1421813"	1066.240738	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+H+CF3COOH"	115.000138
"1156477"	538.167401	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+3ACN+2H"	125.094202
"1701653"	1083.267285	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+NH4+CF3COOH"	132.026685
"1642774"	1088.22268	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+Na+CF3COOH"	136.98208
"1574050"	1104.19662	"C16354"	"Albireodelphin;Delphinidin 33-diglucoside 5-(6-caffeoyl)glucoside"	"C42H47O25"	"951.2406"	"M+K+CF3COOH"	152.95602
"810980"	182.044	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M"	0
"977951"	163.02561	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H2O-H"	-19.01839
"76038"	120.355390666667	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-3H"	-3.021828
"511223"	181.036724	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-3H"	-3.021828
"895223"	59.6740573333333	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-3H"	-3.021828
"10881"	181.036724	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H"	-2.014552
"453720"	272.058724	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H"	-2.014552
"831647"	90.014724	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H"	-2.014552
"90420"	363.080724	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-H"	-1.007276
"526698"	545.124724	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-H"	-1.007276
"898303"	181.036724	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H"	-1.007276
"50126"	380.107271	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H+NH4"	16.019271
"491874"	562.151271	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H+NH4"	16.019271
"866395"	198.063271	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H+NH4"	16.019271
"34297"	385.062666	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H+Na"	20.974666
"473003"	567.106666	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H+Na"	20.974666
"849472"	203.018666	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H+Na"	20.974666
"1621197"	203.018666	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na-2H"	20.974666
"106477"	199.025063	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-H+Cl"	33.962126
"539114"	290.047063	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-H+Cl"	33.962126
"936273"	108.003063	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+Cl"	33.962126
"278112"	399.057402	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Cl"	34.969402
"668345"	581.101402	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+Cl"	34.969402
"1281843"	217.013402	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl"	34.969402
"24398"	401.036606	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H+K"	36.948606
"458122"	583.080606	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H+K"	36.948606
"839570"	218.992606	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H+K"	36.948606
"1557589"	218.992606	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K-2H"	36.948606
"944013"	227.042194	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+HCOOH"	44.998194
"362588"	409.086201	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+HCOOH-H"	44.998201
"346473"	423.101851	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Hac-H"	59.013851
"1494588"	241.057851	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Hac-H"	59.013851
"961768"	249.024151	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+NaCOOH"	66.980151
"116142"	217.013402	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2Cl"	69.938804
"554610"	308.035402	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2Cl"	69.938804
"1023773"	125.991402	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2Cl"	69.938804
"1248454"	260.962885	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Br"	78.918885
"1307258"	263.018872	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl+HCOOH"	80.974872
"1321473"	285.000829	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl+NaCOOH"	102.956829
"913621"	295.029586	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+CF3COOH"	112.985586
"1289240"	331.006264	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl+CF3COOH"	148.962264
"1377615"	147.031324	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H-2H2O"	-35.012676
"1387456"	165.0413	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H-H2O"	-17.0027
"284956"	365.095276	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H"	1.007276
"678468"	547.139276	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H"	1.007276
"1354818"	183.051276	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H"	1.007276
"127707"	183.051276	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2H"	2.014552
"568361"	274.073276	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2H"	2.014552
"1043720"	92.029276	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2H"	2.014552
"209072"	122.369942666667	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+3H"	3.021828
"651186"	183.051276	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+3H"	3.021828
"1165665"	61.6886093333333	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+3H"	3.021828
"426753"	382.121823	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+NH4"	18.033823
"786652"	564.165823	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+NH4"	18.033823
"1681333"	200.077823	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+NH4"	18.033823
"330892"	191.5645495	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H+NH4"	19.041099
"723435"	282.5865495	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H+NH4"	19.041099
"1477619"	100.5425495	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+NH4"	19.041099
"394721"	387.077218	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Na"	22.989218
"756809"	569.121218	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+Na"	22.989218
"1608189"	205.033218	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na"	22.989218
"316045"	194.042247	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H+Na"	23.996494
"708096"	285.064247	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H+Na"	23.996494
"1463736"	103.020247	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+Na"	23.996494
"1054071"	69.0159233333333	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2H+Na"	25.00377
"1259033"	215.077486	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+CH3OH+H"	33.033486
"379798"	403.051158	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+K"	38.963158
"740066"	585.095158	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+K"	38.963158
"1545037"	221.007158	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K"	38.963158
"301123"	202.029217	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H+K"	39.970434
"693544"	293.051217	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H+K"	39.970434
"1447364"	111.007217	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+K"	39.970434
"237060"	406.121826	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+ACN+H"	42.033826
"1210979"	224.077826	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+ACN+H"	42.033826
"1205682"	112.542551	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+ACN+2H"	43.041102
"203299"	409.05916	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2Na-H"	44.97116
"642988"	591.10316	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2Na-H"	44.97116
"1143447"	227.01516	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2Na-H"	44.97116
"186739"	205.033218	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2Na"	45.978436
"621197"	296.055218	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2Na"	45.978436
"1124703"	114.011218	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2Na"	45.978436
"1408228"	76.3432373333333	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+2Na"	46.985712
"1438156"	229.056746	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+HCOOH"	47.012746
"225663"	210.06624	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+3H2O+2H"	56.04448
"1512630"	243.10879	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+IsoProp+H"	61.06479
"414505"	213.020188	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Na+K"	61.952376
"774406"	304.042188	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+Na+K"	61.952376
"1669644"	121.998188	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na+K"	61.952376
"261642"	428.103768	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+ACN+Na"	64.015768
"1236540"	246.059768	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+ACN+Na"	64.015768
"1722145"	246.083293	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+NH4+HCOOH"	64.039293
"1187496"	83.6705513333333	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+3Na"	68.967654
"1661395"	251.038688	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na+HCOOH"	68.994688
"167526"	441.00704	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2K-H"	76.91904
"606724"	623.05104	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2K-H"	76.91904
"1093788"	258.96304	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2K-H"	76.91904
"149510"	221.007158	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2K"	77.926316
"584701"	312.029158	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2K"	77.926316
"1077968"	129.985158	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2K"	77.926316
"1112271"	260.977592	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2K+H"	78.933592
"1345374"	261.065207	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+DMSO+H"	79.021207
"1016091"	265.104376	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2ACN+H"	83.060376
"1534219"	266.098008	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+IsoProp+Na+H"	84.054008
"998481"	133.055826	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2ACN+2H"	84.067652
"1595173"	267.012628	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K+HCOOH"	84.968628
"1424109"	297.044138	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+CF3COOH"	115.000138
"1156587"	153.569101	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+3ACN+2H"	125.094202
"1701763"	314.070685	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+NH4+CF3COOH"	132.026685
"1642884"	319.02608	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na+CF3COOH"	136.98208
"1574160"	335.00002	"C16355"	"7-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K+CF3COOH"	152.95602
"811090"	196.0596	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M"	0
"978061"	177.04121	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H2O-H"	-19.01839
"75055"	129.699124	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-3H"	-3.021828
"511333"	195.052324	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-3H"	-3.021828
"895051"	64.345924	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-3H"	-3.021828
"10991"	195.052324	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H"	-2.014552
"453830"	293.082124	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H"	-2.014552
"832569"	97.022524	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H"	-2.014552
"93977"	391.111924	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-H"	-1.007276
"526808"	587.171524	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-H"	-1.007276
"901329"	195.052324	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H"	-1.007276
"50237"	408.138471	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H+NH4"	16.019271
"491984"	604.198071	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H+NH4"	16.019271
"869785"	212.078871	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H+NH4"	16.019271
"33434"	413.093866	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H+Na"	20.974666
"473355"	609.153466	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H+Na"	20.974666
"849824"	217.034266	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H+Na"	20.974666
"1624587"	217.034266	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na-2H"	20.974666
"105494"	213.040663	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-H+Cl"	33.962126
"539951"	311.070463	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-H+Cl"	33.962126
"937475"	115.010863	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+Cl"	33.962126
"278220"	427.088602	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Cl"	34.969402
"672828"	623.148202	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+Cl"	34.969402
"1283045"	231.029002	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl"	34.969402
"24508"	429.067806	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H+K"	36.948606
"458960"	625.127406	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H+K"	36.948606
"837494"	233.008206	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H+K"	36.948606
"1557698"	233.008206	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K-2H"	36.948606
"943272"	241.057794	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+HCOOH"	44.998194
"362578"	437.117401	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+HCOOH-H"	44.998201
"347682"	451.133051	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Hac-H"	59.013851
"1493240"	255.073451	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Hac-H"	59.013851
"961878"	263.039751	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+NaCOOH"	66.980151
"112972"	231.029002	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2Cl"	69.938804
"554720"	329.058802	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2Cl"	69.938804
"1023519"	132.999202	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2Cl"	69.938804
"1247471"	274.978485	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Br"	78.918885
"1306640"	277.034472	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl+HCOOH"	80.974872
"1323043"	299.016429	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl+NaCOOH"	102.956829
"912154"	309.045186	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+CF3COOH"	112.985586
"1288865"	345.021864	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl+CF3COOH"	148.962264
"1372257"	161.046924	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H-2H2O"	-35.012676
"1388659"	179.0569	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H-H2O"	-17.0027
"283277"	393.126476	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H"	1.007276
"675698"	589.186076	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H"	1.007276
"1352376"	197.066876	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H"	1.007276
"131097"	197.066876	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2H"	2.014552
"569564"	295.096676	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2H"	2.014552
"1044922"	99.037076	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2H"	2.014552
"207725"	131.713676	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+3H"	3.021828
"646924"	197.066876	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+3H"	3.021828
"1164318"	66.360476	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+3H"	3.021828
"426499"	410.153023	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+NH4"	18.033823
"786153"	606.212623	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+NH4"	18.033823
"1681705"	214.093423	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+NH4"	18.033823
"330516"	205.5801495	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H+NH4"	19.041099
"723789"	303.6099495	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H+NH4"	19.041099
"1478458"	107.5503495	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+NH4"	19.041099
"394466"	415.108418	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Na"	22.989218
"758012"	611.168018	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+Na"	22.989218
"1606110"	219.048818	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na"	22.989218
"317969"	208.057847	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H+Na"	23.996494
"709666"	306.087647	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H+Na"	23.996494
"1462266"	110.028047	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+Na"	23.996494
"1056367"	73.68779	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2H+Na"	25.00377
"1258651"	229.093086	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+CH3OH+H"	33.033486
"378934"	431.082358	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+K"	38.963158
"741269"	627.141958	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+K"	38.963158
"1546240"	235.022758	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K"	38.963158
"301959"	216.044817	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H+K"	39.970434
"695109"	314.074617	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H+K"	39.970434
"1446744"	118.015017	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+K"	39.970434
"237534"	434.153026	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+ACN+H"	42.033826
"1210844"	238.093426	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+ACN+H"	42.033826
"1205792"	119.550351	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+ACN+2H"	43.041102
"203046"	437.09036	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2Na-H"	44.97116
"643340"	633.14996	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2Na-H"	44.97116
"1142462"	241.03076	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2Na-H"	44.97116
"181740"	219.048818	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2Na"	45.978436
"626410"	317.078618	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2Na"	45.978436
"1124813"	121.019018	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2Na"	45.978436
"1408339"	81.015104	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+2Na"	46.985712
"1434620"	243.072346	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+HCOOH"	47.012746
"223585"	224.08184	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+3H2O+2H"	56.04448
"1510553"	257.12439	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+IsoProp+H"	61.06479
"412428"	227.035788	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Na+K"	61.952376
"770505"	325.065588	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+Na+K"	61.952376
"1669754"	129.005988	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na+K"	61.952376
"263938"	456.134968	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+ACN+Na"	64.015768
"1234463"	260.075368	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+ACN+Na"	64.015768
"1723348"	260.098893	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+NH4+HCOOH"	64.039293
"1188699"	88.342418	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+3Na"	68.967654
"1661505"	265.054288	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na+HCOOH"	68.994688
"167636"	469.03824	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2K-H"	76.91904
"606105"	665.09784	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2K-H"	76.91904
"1094627"	272.97864	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2K-H"	76.91904
"149620"	235.022758	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2K"	77.926316
"585903"	333.052558	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2K"	77.926316
"1078077"	136.992958	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2K"	77.926316
"1111287"	274.993192	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2K+H"	78.933592
"1345484"	275.080807	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+DMSO+H"	79.021207
"1012920"	279.119976	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2ACN+H"	83.060376
"1534329"	280.113608	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+IsoProp+Na+H"	84.054008
"998591"	140.063626	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2ACN+2H"	84.067652
"1597470"	281.028228	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K+HCOOH"	84.968628
"1425312"	311.059738	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+CF3COOH"	115.000138
"1154511"	160.576901	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+3ACN+2H"	125.094202
"1701873"	328.086285	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+NH4+CF3COOH"	132.026685
"1639714"	333.04168	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na+CF3COOH"	136.98208
"1572083"	349.01562	"C16356"	"17-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K+CF3COOH"	152.95602
"811201"	166.0491	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M"	0
"978172"	147.03071	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H2O-H"	-19.01839
"78172"	109.692124	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-3H"	-3.021828
"514723"	165.041824	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-3H"	-3.021828
"894839"	54.342424	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-3H"	-3.021828
"13288"	165.041824	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H"	-2.014552
"453576"	248.066374	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H"	-2.014552
"832152"	82.017274	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H"	-2.014552
"93521"	331.090924	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-H"	-1.007276
"526918"	497.140024	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-H"	-1.007276
"900346"	165.041824	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H"	-1.007276
"50347"	348.117471	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+NH4"	16.019271
"492094"	514.166571	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+NH4"	16.019271
"869895"	182.068371	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+NH4"	16.019271
"33423"	353.072866	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+Na"	20.974666
"473344"	519.121966	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+Na"	20.974666
"852971"	187.023766	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+Na"	20.974666
"1626884"	187.023766	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na-2H"	20.974666
"105604"	183.030163	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-H+Cl"	33.962126
"545163"	266.054713	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-H+Cl"	33.962126
"937585"	100.005613	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+Cl"	33.962126
"276143"	367.067602	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Cl"	34.969402
"672938"	533.116702	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Cl"	34.969402
"1279875"	201.018502	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl"	34.969402
"24618"	369.046806	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+K"	36.948606
"459803"	535.095906	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+K"	36.948606
"837603"	202.997706	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+K"	36.948606
"1557811"	202.997706	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K-2H"	36.948606
"944356"	211.047294	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+HCOOH"	44.998194
"363300"	377.096401	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+HCOOH-H"	44.998201
"346818"	391.112051	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Hac-H"	59.013851
"1493831"	225.062951	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Hac-H"	59.013851
"961988"	233.029251	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+NaCOOH"	66.980151
"110890"	201.018502	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Cl"	69.938804
"550815"	284.043052	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Cl"	69.938804
"1023629"	117.993952	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Cl"	69.938804
"1245393"	244.967985	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Br"	78.918885
"1306750"	247.023972	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+HCOOH"	80.974872
"1323153"	269.005929	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+NaCOOH"	102.956829
"915304"	279.034686	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+CF3COOH"	112.985586
"1289462"	315.011364	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+CF3COOH"	148.962264
"1372367"	131.036424	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H-2H2O"	-35.012676
"1385489"	149.0464	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H-H2O"	-17.0027
"283590"	333.105476	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H"	1.007276
"676743"	499.154576	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H"	1.007276
"1352239"	167.056376	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H"	1.007276
"126707"	167.056376	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2H"	2.014552
"568578"	250.080926	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2H"	2.014552
"1041024"	84.031826	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2H"	2.014552
"210747"	111.706676	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+3H"	3.021828
"645934"	167.056376	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+3H"	3.021828
"1165156"	56.356976	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3H"	3.021828
"424784"	350.132023	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+NH4"	18.033823
"786506"	516.181123	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+NH4"	18.033823
"1681385"	184.082923	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4"	18.033823
"330383"	175.5696495	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+NH4"	19.041099
"724264"	258.5941995	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+NH4"	19.041099
"1477024"	92.5450995	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+NH4"	19.041099
"393358"	355.087418	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Na"	22.989218
"756665"	521.136518	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Na"	22.989218
"1612418"	189.038318	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na"	22.989218
"316987"	178.047347	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+Na"	23.996494
"709047"	261.071897	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+Na"	23.996494
"1463229"	95.022797	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+Na"	23.996494
"1057933"	63.68429	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2H+Na"	25.00377
"1258884"	199.082586	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+CH3OH+H"	33.033486
"378923"	371.061358	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+K"	38.963158
"742109"	537.110458	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+K"	38.963158
"1540882"	205.012258	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K"	38.963158
"299518"	186.034317	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+K"	39.970434
"692671"	269.058867	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+K"	39.970434
"1445880"	103.009767	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+K"	39.970434
"236054"	374.132026	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+ACN+H"	42.033826
"1210112"	208.082926	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+H"	42.033826
"1201530"	104.545101	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+2H"	43.041102
"196591"	377.06936	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Na-H"	44.97116
"643810"	543.11846	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Na-H"	44.97116
"1142208"	211.02026	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Na-H"	44.97116
"178571"	189.038318	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Na"	45.978436
"623603"	272.062868	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Na"	45.978436
"1121643"	106.013768	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Na"	45.978436
"1408449"	71.011604	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+2Na"	46.985712
"1433637"	213.061846	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+HCOOH"	47.012746
"223695"	194.07134	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+3H2O+2H"	56.04448
"1511756"	227.11389	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+IsoProp+H"	61.06479
"411445"	197.025288	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Na+K"	61.952376
"770856"	280.049838	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Na+K"	61.952376
"1667678"	114.000738	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+K"	61.952376
"257486"	396.113968	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+ACN+Na"	64.015768
"1235664"	230.064868	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+Na"	64.015768
"1720174"	230.088393	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4+HCOOH"	64.039293
"1186621"	78.338918	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3Na"	68.967654
"1658701"	235.043788	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+HCOOH"	68.994688
"165562"	409.01724	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2K-H"	76.91904
"604030"	575.06634	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2K-H"	76.91904
"1092913"	242.96814	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K-H"	76.91904
"146450"	205.012258	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2K"	77.926316
"582858"	288.036808	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2K"	77.926316
"1079280"	121.987708	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K"	77.926316
"1110306"	244.982692	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K+H"	78.933592
"1346688"	245.070307	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+DMSO+H"	79.021207
"1013030"	249.109476	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2ACN+H"	83.060376
"1533347"	250.103108	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+IsoProp+Na+H"	84.054008
"1001983"	125.058376	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2ACN+2H"	84.067652
"1598674"	251.017728	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K+HCOOH"	84.968628
"1425424"	281.049238	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+CF3COOH"	115.000138
"1155715"	145.571651	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3ACN+2H"	125.094202
"1710370"	298.075785	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4+CF3COOH"	132.026685
"1646386"	303.03118	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+CF3COOH"	136.98208
"1577662"	319.00512	"C16357"	"3-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K+CF3COOH"	152.95602
"814590"	166.0491	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M"	0
"976094"	147.03071	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H2O-H"	-19.01839
"77463"	109.692124	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-3H"	-3.021828
"508272"	165.041824	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-3H"	-3.021828
"895481"	54.342424	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-3H"	-3.021828
"15344"	165.041824	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H"	-2.014552
"453686"	248.066374	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H"	-2.014552
"832632"	82.017274	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H"	-2.014552
"93669"	331.090924	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-H"	-1.007276
"529215"	497.140024	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-H"	-1.007276
"903736"	165.041824	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H"	-1.007276
"53737"	348.117471	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+NH4"	16.019271
"490381"	514.166571	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+NH4"	16.019271
"871099"	182.068371	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+NH4"	16.019271
"35720"	353.072866	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+Na"	20.974666
"471998"	519.121966	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+Na"	20.974666
"848747"	187.023766	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+Na"	20.974666
"1623712"	187.023766	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na-2H"	20.974666
"106806"	183.030163	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-H+Cl"	33.962126
"546366"	266.054713	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-H+Cl"	33.962126
"936602"	100.005613	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+Cl"	33.962126
"280625"	367.067602	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Cl"	34.969402
"669767"	533.116702	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Cl"	34.969402
"1277796"	201.018502	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl"	34.969402
"21446"	369.046806	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M-2H+K"	36.948606
"465378"	535.095906	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M-2H+K"	36.948606
"839901"	202.997706	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-2H+K"	36.948606
"1559015"	202.997706	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K-2H"	36.948606
"946899"	211.047294	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+HCOOH"	44.998194
"364021"	377.096401	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+HCOOH-H"	44.998201
"347174"	391.112051	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Hac-H"	59.013851
"1494554"	225.062951	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Hac-H"	59.013851
"962096"	233.029251	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+NaCOOH"	66.980151
"111004"	201.018502	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Cl"	69.938804
"551656"	284.043052	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Cl"	69.938804
"1024832"	117.993952	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Cl"	69.938804
"1246596"	244.967985	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Br"	78.918885
"1307953"	247.023972	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+HCOOH"	80.974872
"1326542"	269.005929	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+NaCOOH"	102.956829
"913227"	279.034686	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M-H+CF3COOH"	112.985586
"1293218"	315.011364	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Cl+CF3COOH"	148.962264
"1375758"	131.036424	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H-2H2O"	-35.012676
"1391066"	149.0464	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H-H2O"	-17.0027
"286376"	333.105476	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H"	1.007276
"679892"	499.154576	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H"	1.007276
"1356240"	167.056376	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H"	1.007276
"131315"	167.056376	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2H"	2.014552
"571968"	250.080926	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2H"	2.014552
"1050977"	84.031826	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2H"	2.014552
"213046"	111.706676	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+3H"	3.021828
"649328"	167.056376	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+3H"	3.021828
"1167454"	56.356976	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3H"	3.021828
"427810"	350.132023	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+NH4"	18.033823
"789532"	516.181123	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+NH4"	18.033823
"1684768"	184.082923	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4"	18.033823
"335234"	175.5696495	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+NH4"	19.041099
"727655"	258.5941995	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+NH4"	19.041099
"1483662"	92.5450995	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+NH4"	19.041099
"397967"	355.087418	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Na"	22.989218
"758963"	521.136518	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Na"	22.989218
"1610341"	189.038318	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na"	22.989218
"323660"	178.047347	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+Na"	23.996494
"713895"	261.071897	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+Na"	23.996494
"1470995"	95.022797	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+Na"	23.996494
"1059867"	63.68429	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2H+Na"	25.00377
"1262640"	199.082586	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+CH3OH+H"	33.033486
"380127"	371.061358	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+K"	38.963158
"744406"	537.110458	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+K"	38.963158
"1544272"	205.012258	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K"	38.963158
"308014"	186.034317	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+H+K"	39.970434
"700436"	269.058867	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+H+K"	39.970434
"1452069"	103.009767	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+K"	39.970434
"240670"	374.132026	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+ACN+H"	42.033826
"1211554"	208.082926	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+H"	42.033826
"1203827"	104.545101	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+2H"	43.041102
"200345"	377.06936	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Na-H"	44.97116
"642096"	543.11846	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Na-H"	44.97116
"1142319"	211.02026	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Na-H"	44.97116
"178680"	189.038318	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2Na"	45.978436
"626994"	272.062868	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2Na"	45.978436
"1125033"	106.013768	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2Na"	45.978436
"1406368"	71.011604	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+2Na"	46.985712
"1435570"	213.061846	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+HCOOH"	47.012746
"224170"	194.07134	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+3H2O+2H"	56.04448
"1511867"	227.11389	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+IsoProp+H"	61.06479
"413742"	197.025288	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+Na+K"	61.952376
"772549"	280.049838	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+Na+K"	61.952376
"1666695"	114.000738	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+K"	61.952376
"263067"	396.113968	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+ACN+Na"	64.015768
"1238694"	230.064868	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+ACN+Na"	64.015768
"1722475"	230.088393	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4+HCOOH"	64.039293
"1184548"	78.338918	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3Na"	68.967654
"1657720"	235.043788	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+HCOOH"	68.994688
"164578"	409.01724	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2K-H"	76.91904
"605232"	575.06634	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2K-H"	76.91904
"1088648"	242.96814	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K-H"	76.91904
"148747"	205.012258	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"2M+2K"	77.926316
"583940"	288.036808	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"3M+2K"	77.926316
"1079390"	121.987708	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K"	77.926316
"1111507"	244.982692	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2K+H"	78.933592
"1345704"	245.070307	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+DMSO+H"	79.021207
"1013140"	249.109476	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2ACN+H"	83.060376
"1536733"	250.103108	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+IsoProp+Na+H"	84.054008
"1001000"	125.058376	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+2ACN+2H"	84.067652
"1599877"	251.017728	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K+HCOOH"	84.968628
"1426627"	281.049238	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+H+CF3COOH"	115.000138
"1156918"	145.571651	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+3ACN+2H"	125.094202
"1710844"	298.075785	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+NH4+CF3COOH"	132.026685
"1646496"	303.03118	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+Na+CF3COOH"	136.98208
"1577772"	319.00512	"C16358"	"1-Methylxanthine"	"C6H6N4O2"	"166.0491"	"M+K+CF3COOH"	152.95602
"810327"	182.044	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M"	0
"975111"	163.02561	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H2O-H"	-19.01839
"75749"	120.355390666667	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-3H"	-3.021828
"508382"	181.036724	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-3H"	-3.021828
"890560"	59.6740573333333	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-3H"	-3.021828
"12415"	181.036724	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H"	-2.014552
"451974"	272.058724	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H"	-2.014552
"828683"	90.014724	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H"	-2.014552
"87579"	363.080724	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-H"	-1.007276
"522764"	545.124724	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-H"	-1.007276
"896191"	181.036724	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H"	-1.007276
"49472"	380.107271	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H+NH4"	16.019271
"488061"	562.151271	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H+NH4"	16.019271
"866836"	198.063271	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H+NH4"	16.019271
"34737"	385.062666	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H+Na"	20.974666
"471741"	567.106666	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H+Na"	20.974666
"848934"	203.018666	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H+Na"	20.974666
"1618758"	203.018666	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na-2H"	20.974666
"106916"	199.025063	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-H+Cl"	33.962126
"545383"	290.047063	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-H+Cl"	33.962126
"934523"	108.003063	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+Cl"	33.962126
"276361"	399.057402	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Cl"	34.969402
"666595"	581.101402	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+Cl"	34.969402
"1277906"	217.013402	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl"	34.969402
"20463"	401.036606	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M-2H+K"	36.948606
"457830"	583.080606	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M-2H+K"	36.948606
"840011"	218.992606	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-2H+K"	36.948606
"1559125"	218.992606	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K-2H"	36.948606
"947009"	227.042194	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+HCOOH"	44.998194
"364131"	409.086201	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+HCOOH-H"	44.998201
"346069"	423.101851	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Hac-H"	59.013851
"1492747"	241.057851	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Hac-H"	59.013851
"958927"	249.024151	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+NaCOOH"	66.980151
"112208"	217.013402	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2Cl"	69.938804
"549965"	308.035402	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2Cl"	69.938804
"1023849"	125.991402	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2Cl"	69.938804
"1244520"	260.962885	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Br"	78.918885
"1308063"	263.018872	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl+HCOOH"	80.974872
"1325560"	285.000829	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl+NaCOOH"	102.956829
"916617"	295.029586	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M-H+CF3COOH"	112.985586
"1291142"	331.006264	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Cl+CF3COOH"	148.962264
"1372588"	147.031324	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H-2H2O"	-35.012676
"1383523"	165.0413	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H-H2O"	-17.0027
"283081"	365.095276	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H"	1.007276
"676722"	547.139276	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H"	1.007276
"1355257"	183.051276	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H"	1.007276
"132519"	183.051276	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2H"	2.014552
"573173"	274.073276	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2H"	2.014552
"1045255"	92.029276	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2H"	2.014552
"212062"	122.369942666667	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+3H"	3.021828
"649436"	183.051276	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+3H"	3.021828
"1164285"	61.6886093333333	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+3H"	3.021828
"425005"	382.121823	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+NH4"	18.033823
"788547"	564.165823	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+NH4"	18.033823
"1685971"	200.077823	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+NH4"	18.033823
"335343"	191.5645495	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H+NH4"	19.041099
"727036"	282.5865495	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H+NH4"	19.041099
"1484868"	100.5425495	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+NH4"	19.041099
"400265"	387.077218	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Na"	22.989218
"760167"	569.121218	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+Na"	22.989218
"1610453"	205.033218	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na"	22.989218
"322677"	194.042247	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H+Na"	23.996494
"711818"	285.064247	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H+Na"	23.996494
"1464909"	103.020247	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+Na"	23.996494
"1057062"	69.0159233333333	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2H+Na"	25.00377
"1260562"	215.077486	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+CH3OH+H"	33.033486
"380233"	403.051158	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+K"	38.963158
"741234"	585.095158	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+K"	38.963158
"1541101"	221.007158	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K"	38.963158
"300833"	202.029217	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+H+K"	39.970434
"699453"	293.051217	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+H+K"	39.970434
"1451086"	111.007217	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+K"	39.970434
"240780"	406.121826	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+ACN+H"	42.033826
"1210814"	224.077826	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+ACN+H"	42.033826
"1201751"	112.542551	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+ACN+2H"	43.041102
"199726"	409.05916	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2Na-H"	44.97116
"642206"	591.10316	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2Na-H"	44.97116
"1143158"	227.01516	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2Na-H"	44.97116
"177697"	205.033218	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2Na"	45.978436
"627955"	296.055218	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2Na"	45.978436
"1125143"	114.011218	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2Na"	45.978436
"1406478"	76.3432373333333	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+2Na"	46.985712
"1435680"	229.056746	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+HCOOH"	47.012746
"225010"	210.06624	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+3H2O+2H"	56.04448
"1513071"	243.10879	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+IsoProp+H"	61.06479
"412759"	213.020188	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+Na+K"	61.952376
"771567"	304.042188	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+Na+K"	61.952376
"1665833"	121.998188	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na+K"	61.952376
"260991"	428.103768	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+ACN+Na"	64.015768
"1236981"	246.059768	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+ACN+Na"	64.015768
"1721492"	246.083293	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+NH4+HCOOH"	64.039293
"1183565"	83.6705513333333	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+3Na"	68.967654
"1656737"	251.038688	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na+HCOOH"	68.994688
"163595"	441.00704	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2K-H"	76.91904
"603156"	623.05104	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2K-H"	76.91904
"1086207"	258.96304	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2K-H"	76.91904
"145577"	221.007158	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"2M+2K"	77.926316
"582832"	312.029158	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"3M+2K"	77.926316
"1071844"	129.985158	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2K"	77.926316
"1105050"	260.977592	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2K+H"	78.933592
"1342528"	261.065207	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+DMSO+H"	79.021207
"1009967"	265.104376	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2ACN+H"	83.060376
"1536843"	266.098008	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+IsoProp+Na+H"	84.054008
"1004147"	133.055826	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+2ACN+2H"	84.067652
"1601080"	267.012628	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K+HCOOH"	84.968628
"1425644"	297.044138	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+H+CF3COOH"	115.000138
"1158121"	153.569101	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+3ACN+2H"	125.094202
"1708767"	314.070685	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+NH4+CF3COOH"	132.026685
"1647700"	319.02608	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+Na+CF3COOH"	136.98208
"1577882"	335.00002	"C16359"	"1-Methyluric acid"	"C6H6N4O3"	"182.044"	"M+K+CF3COOH"	152.95602
"812624"	196.0596	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M"	0
"976314"	177.04121	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H2O-H"	-19.01839
"77316"	129.699124	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-3H"	-3.021828
"508492"	195.052324	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-3H"	-3.021828
"892856"	64.345924	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-3H"	-3.021828
"14351"	195.052324	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H"	-2.014552
"453177"	293.082124	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H"	-2.014552
"830979"	97.022524	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H"	-2.014552
"87689"	391.111924	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-H"	-1.007276
"523238"	587.171524	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-H"	-1.007276
"899583"	195.052324	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H"	-1.007276
"47286"	408.138471	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H+NH4"	16.019271
"490238"	604.198071	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H+NH4"	16.019271
"868039"	212.078871	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H+NH4"	16.019271
"34847"	413.093866	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H+Na"	20.974666
"471854"	609.153466	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H+Na"	20.974666
"849050"	217.034266	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H+Na"	20.974666
"1620651"	217.034266	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na-2H"	20.974666
"108608"	213.040663	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-H+Cl"	33.962126
"544398"	311.070463	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-H+Cl"	33.962126
"935726"	115.010863	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+Cl"	33.962126
"277564"	427.088602	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Cl"	34.969402
"671080"	623.148202	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+Cl"	34.969402
"1275465"	231.029002	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl"	34.969402
"19478"	429.067806	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M-2H+K"	36.948606
"459762"	625.127406	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M-2H+K"	36.948606
"839028"	233.008206	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-2H+K"	36.948606
"1559236"	233.008206	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K-2H"	36.948606
"944933"	241.057794	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+HCOOH"	44.998194
"369708"	437.117401	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+HCOOH-H"	44.998201
"349213"	451.133051	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Hac-H"	59.013851
"1494774"	255.073451	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Hac-H"	59.013851
"961223"	263.039751	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+NaCOOH"	66.980151
"114505"	231.029002	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2Cl"	69.938804
"554063"	329.058802	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2Cl"	69.938804
"1026144"	132.999202	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2Cl"	69.938804
"1244994"	274.978485	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Br"	78.918885
"1310360"	277.034472	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl+HCOOH"	80.974872
"1324576"	299.016429	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl+NaCOOH"	102.956829
"915634"	309.045186	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M-H+CF3COOH"	112.985586
"1293438"	345.021864	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Cl+CF3COOH"	148.962264
"1369418"	161.046924	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H-2H2O"	-35.012676
"1383633"	179.0569	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H-H2O"	-17.0027
"283799"	393.126476	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H"	1.007276
"679019"	589.186076	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H"	1.007276
"1357554"	197.066876	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H"	1.007276
"131536"	197.066876	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2H"	2.014552
"572188"	295.096676	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2H"	2.014552
"1045365"	99.037076	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2H"	2.014552
"215452"	131.713676	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+3H"	3.021828
"646269"	197.066876	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+3H"	3.021828
"1164392"	66.360476	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+3H"	3.021828
"425478"	410.153023	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+NH4"	18.033823
"789753"	606.212623	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+NH4"	18.033823
"1687178"	214.093423	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+NH4"	18.033823
"335092"	205.5801495	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H+NH4"	19.041099
"727512"	303.6099495	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H+NH4"	19.041099
"1484979"	107.5503495	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+NH4"	19.041099
"401470"	415.108418	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Na"	22.989218
"763560"	611.168018	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+Na"	22.989218
"1613846"	219.048818	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na"	22.989218
"326067"	208.057847	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H+Na"	23.996494
"714113"	306.087647	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H+Na"	23.996494
"1467935"	110.028047	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+Na"	23.996494
"1060089"	73.68779	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2H+Na"	25.00377
"1261765"	229.093086	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+CH3OH+H"	33.033486
"380708"	431.082358	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+K"	38.963158
"739151"	627.141958	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+K"	38.963158
"1541211"	235.022758	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K"	38.963158
"302764"	216.044817	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+H+K"	39.970434
"693365"	314.074617	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+H+K"	39.970434
"1447914"	118.015017	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+K"	39.970434
"238699"	434.153026	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+ACN+H"	42.033826
"1212504"	238.093426	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+ACN+H"	42.033826
"1206233"	119.550351	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+ACN+2H"	43.041102
"200929"	437.09036	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2Na-H"	44.97116
"641952"	633.14996	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2Na-H"	44.97116
"1143997"	241.03076	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2Na-H"	44.97116
"177807"	219.048818	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2Na"	45.978436
"623931"	317.078618	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2Na"	45.978436
"1123066"	121.019018	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2Na"	45.978436
"1406588"	81.015104	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+2Na"	46.985712
"1438704"	243.072346	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+HCOOH"	47.012746
"226213"	224.08184	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+3H2O+2H"	56.04448
"1514274"	257.12439	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+IsoProp+H"	61.06479
"412869"	227.035788	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+Na+K"	61.952376
"772040"	325.065588	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+Na+K"	61.952376
"1666915"	129.005988	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na+K"	61.952376
"261101"	456.134968	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+ACN+Na"	64.015768
"1235633"	260.075368	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+ACN+Na"	64.015768
"1721602"	260.098893	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+NH4+HCOOH"	64.039293
"1186954"	88.342418	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+3Na"	68.967654
"1658303"	265.054288	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na+HCOOH"	68.994688
"164070"	469.03824	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2K-H"	76.91904
"602902"	665.09784	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2K-H"	76.91904
"1085588"	272.97864	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2K-H"	76.91904
"143501"	235.022758	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"2M+2K"	77.926316
"585982"	333.052558	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"3M+2K"	77.926316
"1074140"	136.992958	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2K"	77.926316
"1106254"	274.993192	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2K+H"	78.933592
"1343368"	275.080807	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+DMSO+H"	79.021207
"1011170"	279.119976	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2ACN+H"	83.060376
"1533673"	280.113608	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+IsoProp+Na+H"	84.054008
"1003890"	140.063626	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+2ACN+2H"	84.067652
"1599001"	281.028228	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K+HCOOH"	84.968628
"1424660"	311.059738	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+H+CF3COOH"	115.000138
"1159325"	160.576901	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+3ACN+2H"	125.094202
"1708877"	328.086285	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+NH4+CF3COOH"	132.026685
"1647810"	333.04168	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+Na+CF3COOH"	136.98208
"1577992"	349.01562	"C16360"	"37-Dimethyluric acid"	"C7H8N4O3"	"196.0596"	"M+K+CF3COOH"	152.95602
"810548"	210.0753	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M"	0
"975331"	191.05691	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-H2O-H"	-19.01839
"76333"	139.042924	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M-3H"	-3.021828
"508602"	209.068024	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M-3H"	-3.021828
"894060"	69.017824	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-3H"	-3.021828
"13002"	209.068024	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M-2H"	-2.014552
"453287"	314.105674	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M-2H"	-2.014552
"829996"	104.030374	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-2H"	-2.014552
"87799"	419.143324	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M-H"	-1.007276
"525171"	629.218624	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M-H"	-1.007276
"899693"	209.068024	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-H"	-1.007276
"49208"	436.169871	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M-2H+NH4"	16.019271
"492536"	646.245171	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M-2H+NH4"	16.019271
"869609"	226.094571	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-2H+NH4"	16.019271
"36416"	441.125266	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M-2H+Na"	20.974666
"475610"	651.200566	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M-2H+Na"	20.974666
"849079"	231.049966	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-2H+Na"	20.974666
"1627324"	231.049966	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Na-2H"	20.974666
"104952"	227.056363	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M-H+Cl"	33.962126
"547064"	332.094013	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M-H+Cl"	33.962126
"939118"	122.018713	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-H+Cl"	33.962126
"279864"	455.120002	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+Cl"	34.969402
"672284"	665.195302	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+Cl"	34.969402
"1281408"	245.044702	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Cl"	34.969402
"18250"	457.099206	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M-2H+K"	36.948606
"460603"	667.174506	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M-2H+K"	36.948606
"836952"	247.023906	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-2H+K"	36.948606
"1561533"	247.023906	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+K-2H"	36.948606
"946137"	255.073494	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-H+HCOOH"	44.998194
"370548"	465.148801	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+HCOOH-H"	44.998201
"348234"	479.164451	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+Hac-H"	59.013851
"1497071"	269.089151	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Hac-H"	59.013851
"962427"	277.055451	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-H+NaCOOH"	66.980151
"111457"	245.044702	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+2Cl"	69.938804
"551989"	350.082352	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+2Cl"	69.938804
"1024068"	140.007052	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2Cl"	69.938804
"1246926"	288.994185	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Br"	78.918885
"1313749"	291.050172	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Cl+HCOOH"	80.974872
"1331246"	313.032129	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Cl+NaCOOH"	102.956829
"923398"	323.060886	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M-H+CF3COOH"	112.985586
"1294643"	359.037564	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Cl+CF3COOH"	148.962264
"1369649"	175.062624	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H-2H2O"	-35.012676
"1384832"	193.0726	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H-H2O"	-17.0027
"284883"	421.157876	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+H"	1.007276
"678036"	631.233176	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+H"	1.007276
"1355478"	211.082576	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H"	1.007276
"133834"	211.082576	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+2H"	2.014552
"573393"	316.120226	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+2H"	2.014552
"1047661"	106.044926	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2H"	2.014552
"210459"	141.057476	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+3H"	3.021828
"651843"	211.082576	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+3H"	3.021828
"1169238"	71.032376	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+3H"	3.021828
"425466"	438.184423	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+NH4"	18.033823
"789497"	648.259723	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+NH4"	18.033823
"1684369"	228.109123	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+NH4"	18.033823
"335565"	219.5958495	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+H+NH4"	19.041099
"727621"	324.6334995	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+H+NH4"	19.041099
"1484358"	114.5581995	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H+NH4"	19.041099
"400488"	443.139818	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+Na"	22.989218
"764763"	653.215118	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+Na"	22.989218
"1613954"	233.064518	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Na"	22.989218
"323991"	222.073547	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+H+Na"	23.996494
"717505"	327.111197	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+H+Na"	23.996494
"1466955"	117.035897	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H+Na"	23.996494
"1061293"	78.35969	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2H+Na"	25.00377
"1261878"	243.108786	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+CH3OH+H"	33.033486
"380090"	459.113758	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+K"	38.963158
"741451"	669.189058	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+K"	38.963158
"1540712"	249.038458	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+K"	38.963158
"299957"	230.060517	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+H+K"	39.970434
"694204"	335.098167	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+H+K"	39.970434
"1448023"	125.022867	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H+K"	39.970434
"239904"	462.184426	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+ACN+H"	42.033826
"1215893"	252.109126	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+ACN+H"	42.033826
"1201967"	126.558201	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+ACN+2H"	43.041102
"197028"	465.12176	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+2Na-H"	44.97116
"638776"	675.19706	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+2Na-H"	44.97116
"1144107"	255.04646	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2Na-H"	44.97116
"184479"	233.064518	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+2Na"	45.978436
"624041"	338.102168	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+2Na"	45.978436
"1123176"	128.026868	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2Na"	45.978436
"1408886"	85.687004	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H+2Na"	46.985712
"1442825"	257.088046	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H+HCOOH"	47.012746
"233612"	238.09754	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+3H2O+2H"	56.04448
"1516571"	271.14009	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+IsoProp+H"	61.06479
"414072"	241.051488	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+Na+K"	61.952376
"772514"	346.089138	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+Na+K"	61.952376
"1668116"	136.013838	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Na+K"	61.952376
"261213"	484.166368	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+ACN+Na"	64.015768
"1233922"	274.091068	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+ACN+Na"	64.015768
"1720620"	274.114593	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+NH4+HCOOH"	64.039293
"1183785"	93.014318	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+3Na"	68.967654
"1657320"	279.069988	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Na+HCOOH"	68.994688
"163815"	497.06964	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+2K-H"	76.91904
"603012"	707.14494	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+2K-H"	76.91904
"1084969"	286.99434	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2K-H"	76.91904
"142517"	249.038458	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"2M+2K"	77.926316
"586455"	354.076108	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"3M+2K"	77.926316
"1073155"	144.000808	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2K"	77.926316
"1105270"	289.008892	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2K+H"	78.933592
"1340562"	289.096507	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+DMSO+H"	79.021207
"1009090"	293.135676	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2ACN+H"	83.060376
"1525631"	294.129308	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+IsoProp+Na+H"	84.054008
"1004245"	147.071476	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+2ACN+2H"	84.067652
"1599111"	295.043928	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+K+HCOOH"	84.968628
"1424770"	325.075438	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+H+CF3COOH"	115.000138
"1160528"	167.584751	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+3ACN+2H"	125.094202
"1710080"	342.101985	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+NH4+CF3COOH"	132.026685
"1649380"	347.05738	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+Na+CF3COOH"	136.98208
"1578102"	363.03132	"C16361"	"137-Trimethyluric acid;137-Trimethylurate"	"C8H10N4O3"	"210.0753"	"M+K+CF3COOH"	152.95602
"808469"	200.0909	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M"	0
"975441"	181.07251	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-H2O-H"	-19.01839
"74619"	132.386657333333	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M-3H"	-3.021828
"508712"	199.083624	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M-3H"	-3.021828
"893076"	65.6896906666667	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-3H"	-3.021828
"15570"	199.083624	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M-2H"	-2.014552
"453397"	299.129074	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M-2H"	-2.014552
"832171"	99.038174	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-2H"	-2.014552
"87909"	399.174524	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M-H"	-1.007276
"522001"	599.265424	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M-H"	-1.007276
"899803"	199.083624	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-H"	-1.007276
"50898"	416.201071	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M-2H+NH4"	16.019271
"490459"	616.291971	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M-2H+NH4"	16.019271
"869355"	216.110171	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-2H+NH4"	16.019271
"41629"	421.156466	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M-2H+Na"	20.974666
"480094"	621.247366	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M-2H+Na"	20.974666
"851699"	221.065566	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-2H+Na"	20.974666
"1625247"	221.065566	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Na-2H"	20.974666
"105792"	217.071963	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M-H+Cl"	33.962126
"548267"	317.117413	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M-H+Cl"	33.962126
"938137"	117.026513	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-H+Cl"	33.962126
"281068"	435.151202	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+Cl"	34.969402
"669115"	635.242102	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+Cl"	34.969402
"1284798"	235.060302	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Cl"	34.969402
"20793"	437.130406	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M-2H+K"	36.948606
"461443"	637.221306	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M-2H+K"	36.948606
"843623"	237.039506	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-2H+K"	36.948606
"1564925"	237.039506	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+K-2H"	36.948606
"954630"	245.089094	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-H+HCOOH"	44.998194
"367742"	445.180001	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+HCOOH-H"	44.998201
"349441"	459.195651	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+Hac-H"	59.013851
"1496088"	259.104751	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Hac-H"	59.013851
"959622"	267.071051	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-H+NaCOOH"	66.980151
"113632"	235.060302	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+2Cl"	69.938804
"558662"	335.105752	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+2Cl"	69.938804
"1026365"	135.014852	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2Cl"	69.938804
"1252507"	279.009785	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Br"	78.918885
"1313862"	281.065772	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Cl+HCOOH"	80.974872
"1330266"	303.047729	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Cl+NaCOOH"	102.956829
"920231"	313.076486	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M-H+CF3COOH"	112.985586
"1300220"	349.053164	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Cl+CF3COOH"	148.962264
"1367136"	165.078224	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H-2H2O"	-35.012676
"1384214"	183.0882	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H-H2O"	-17.0027
"286818"	401.189076	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+H"	1.007276
"680333"	601.279976	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+H"	1.007276
"1357776"	201.098176	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H"	1.007276
"130665"	201.098176	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+2H"	2.014552
"570225"	301.143626	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+2H"	2.014552
"1045584"	101.052726	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2H"	2.014552
"211299"	134.401209333333	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+3H"	3.021828
"648308"	201.098176	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+3H"	3.021828
"1168620"	67.7042426666667	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+3H"	3.021828
"427153"	418.215623	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+NH4"	18.033823
"788512"	618.306523	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+NH4"	18.033823
"1683385"	218.124723	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+NH4"	18.033823
"332756"	209.6114495	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+H+NH4"	19.041099
"727730"	309.6568995	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+H+NH4"	19.041099
"1486290"	109.5659995	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H+NH4"	19.041099
"401691"	423.171018	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+Na"	22.989218
"767427"	623.261918	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+Na"	22.989218
"1615161"	223.080118	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Na"	22.989218
"327381"	212.089147	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+H+Na"	23.996494
"720775"	312.134597	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+H+Na"	23.996494
"1472532"	112.043697	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H+Na"	23.996494
"1064682"	75.0315566666667	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2H+Na"	25.00377
"1265266"	233.124386	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+CH3OH+H"	33.033486
"381658"	439.144958	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+K"	38.963158
"740106"	639.235858	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+K"	38.963158
"1544716"	239.054058	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+K"	38.963158
"300070"	220.076117	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+H+K"	39.970434
"698689"	320.121567	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+H+K"	39.970434
"1449229"	120.030667	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H+K"	39.970434
"241108"	442.215626	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+ACN+H"	42.033826
"1216007"	242.124726	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+ACN+H"	42.033826
"1205361"	121.566001	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+ACN+2H"	43.041102
"198231"	445.15296	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+2Na-H"	44.97116
"635604"	645.24386	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+2Na-H"	44.97116
"1146610"	245.06206	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2Na-H"	44.97116
"187759"	223.080118	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+2Na"	45.978436
"625244"	323.125568	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+2Na"	45.978436
"1128756"	123.034668	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2Na"	45.978436
"1407906"	82.3588706666667	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H+2Na"	46.985712
"1437103"	247.103646	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H+HCOOH"	47.012746
"228619"	228.11314	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+3H2O+2H"	56.04448
"1516679"	261.15569	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+IsoProp+H"	61.06479
"420746"	231.067088	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+Na+K"	61.952376
"777365"	331.112538	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+Na+K"	61.952376
"1675884"	131.021638	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Na+K"	61.952376
"260226"	464.197568	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+ACN+Na"	64.015768
"1234032"	264.106668	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+ACN+Na"	64.015768
"1721457"	264.130193	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+NH4+HCOOH"	64.039293
"1181706"	89.6861846666667	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+3Na"	68.967654
"1655970"	269.085588	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Na+HCOOH"	68.994688
"160277"	477.10084	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+2K-H"	76.91904
"598622"	677.19174	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+2K-H"	76.91904
"1086291"	277.00994	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2K-H"	76.91904
"142743"	239.054058	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"2M+2K"	77.926316
"586564"	339.099508	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"3M+2K"	77.926316
"1074358"	139.008608	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2K"	77.926316
"1104284"	279.024492	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2K+H"	78.933592
"1340670"	279.112107	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+DMSO+H"	79.021207
"1009200"	283.151276	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2ACN+H"	83.060376
"1525865"	284.144908	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+IsoProp+Na+H"	84.054008
"1001435"	142.079276	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+2ACN+2H"	84.067652
"1601044"	285.059528	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+K+HCOOH"	84.968628
"1423787"	315.091038	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+H+CF3COOH"	115.000138
"1159545"	162.592551	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+3ACN+2H"	125.094202
"1710190"	332.117585	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+NH4+CF3COOH"	132.026685
"1649652"	337.07298	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+Na+CF3COOH"	136.98208
"1578212"	353.04692	"C16362"	"368-Trimethylallantoin"	"C7H12N4O3"	"200.0909"	"M+K+CF3COOH"	152.95602
"808579"	74.048	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M"	0
"975672"	55.02961	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-H2O-H"	-19.01839
"72543"	48.3580573333333	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M-3H"	-3.021828
"508822"	73.040724	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M-3H"	-3.021828
"893916"	23.6753906666667	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-3H"	-3.021828
"14678"	73.040724	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M-2H"	-2.014552
"452414"	110.064724	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M-2H"	-2.014552
"829123"	36.016724	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-2H"	-2.014552
"92394"	147.088724	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M-H"	-1.007276
"525392"	221.136724	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M-H"	-1.007276
"898820"	73.040724	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-H"	-1.007276
"52102"	164.115271	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M-2H+NH4"	16.019271
"493849"	238.163271	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M-2H+NH4"	16.019271
"869465"	90.067271	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-2H+NH4"	16.019271
"41739"	169.070666	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M-2H+Na"	20.974666
"479111"	243.118666	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M-2H+Na"	20.974666
"851809"	95.022666	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-2H+Na"	20.974666
"1624264"	95.022666	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Na-2H"	20.974666
"105173"	91.029063	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M-H+Cl"	33.962126
"548011"	128.053063	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M-H+Cl"	33.962126
"938247"	54.005063	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-H+Cl"	33.962126
"277895"	183.065402	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+Cl"	34.969402
"673598"	257.113402	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+Cl"	34.969402
"1284907"	109.017402	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Cl"	34.969402
"20903"	185.044606	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M-2H+K"	36.948606
"462646"	259.092606	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M-2H+K"	36.948606
"834984"	110.996606	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-2H+K"	36.948606
"1558474"	110.996606	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+K-2H"	36.948606
"951824"	119.046194	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-H+HCOOH"	44.998194
"366759"	193.094201	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+HCOOH-H"	44.998201
"348458"	207.109851	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+Hac-H"	59.013851
"1496198"	133.061851	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Hac-H"	59.013851
"959732"	141.028151	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-H+NaCOOH"	66.980151
"111555"	109.017402	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+2Cl"	69.938804
"554395"	146.041402	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+2Cl"	69.938804
"1027570"	71.993402	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2Cl"	69.938804
"1250430"	152.966885	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Br"	78.918885
"1316159"	155.022872	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Cl+HCOOH"	80.974872
"1333292"	177.004829	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Cl+NaCOOH"	102.956829
"921435"	187.033586	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M-H+CF3COOH"	112.985586
"1299237"	223.010264	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Cl+CF3COOH"	148.962264
"1367316"	39.035324	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H-2H2O"	-35.012676
"1384325"	57.0453	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H-H2O"	-17.0027
"284741"	149.103276	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+H"	1.007276
"681536"	223.151276	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+H"	1.007276
"1357886"	75.055276	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H"	1.007276
"131869"	75.055276	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+2H"	2.014552
"571428"	112.079276	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+2H"	2.014552
"1047881"	38.031276	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2H"	2.014552
"211409"	50.3726093333333	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+3H"	3.021828
"649511"	75.055276	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+3H"	3.021828
"1167637"	25.6899426666667	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+3H"	3.021828
"426897"	166.129823	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+NH4"	18.033823
"788621"	240.177823	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+NH4"	18.033823
"1682765"	92.081823	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+NH4"	18.033823
"332137"	83.5685495	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+H+NH4"	19.041099
"724923"	120.5925495	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+H+NH4"	19.041099
"1484941"	46.5445495	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H+NH4"	19.041099
"399614"	171.085218	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+Na"	22.989218
"763889"	245.133218	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+Na"	22.989218
"1613084"	97.037218	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Na"	22.989218
"326398"	86.046247	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+H+Na"	23.996494
"718819"	123.070247	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+H+Na"	23.996494
"1467175"	49.022247	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H+Na"	23.996494
"1058232"	33.0172566666667	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2H+Na"	25.00377
"1262097"	107.081486	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+CH3OH+H"	33.033486
"380676"	187.059158	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+K"	38.963158
"739973"	261.107158	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+K"	38.963158
"1544826"	113.011158	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+K"	38.963158
"299815"	94.033217	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+H+K"	39.970434
"697706"	131.057217	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+H+K"	39.970434
"1449339"	57.009217	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H+K"	39.970434
"242311"	190.129826	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+ACN+H"	42.033826
"1213928"	116.081826	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+ACN+H"	42.033826
"1204376"	58.544551	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+ACN+2H"	43.041102
"198341"	193.06716	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+2Na-H"	44.97116
"634621"	267.11516	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+2Na-H"	44.97116
"1145663"	119.01916	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2Na-H"	44.97116
"187745"	97.037218	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+2Na"	45.978436
"625354"	134.061218	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+2Na"	45.978436
"1129231"	60.013218	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2Na"	45.978436
"1408016"	40.3445706666667	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H+2Na"	46.985712
"1435756"	121.060746	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H+HCOOH"	47.012746
"228729"	102.07024	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+3H2O+2H"	56.04448
"1514603"	135.11279	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+IsoProp+H"	61.06479
"416478"	105.024188	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+Na+K"	61.952376
"778568"	142.048188	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+Na+K"	61.952376
"1674901"	68.000188	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Na+K"	61.952376
"263616"	212.111768	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+ACN+Na"	64.015768
"1234142"	138.063768	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+ACN+Na"	64.015768
"1719744"	138.087293	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+NH4+HCOOH"	64.039293
"1182909"	47.6718846666667	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+3Na"	68.967654
"1657173"	143.042688	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Na+HCOOH"	68.994688
"158930"	225.01504	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+2K-H"	76.91904
"597639"	299.06304	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+2K-H"	76.91904
"1084943"	150.96704	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2K-H"	76.91904
"141639"	113.011158	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"2M+2K"	77.926316
"586674"	150.035158	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"3M+2K"	77.926316
"1072282"	75.987158	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2K"	77.926316
"1103301"	152.981592	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2K+H"	78.933592
"1337500"	153.069207	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+DMSO+H"	79.021207
"1009310"	157.108376	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2ACN+H"	83.060376
"1526340"	158.102008	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+IsoProp+Na+H"	84.054008
"1000452"	79.057826	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+2ACN+2H"	84.067652
"1600061"	159.016628	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+K+HCOOH"	84.968628
"1423897"	189.048138	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+H+CF3COOH"	115.000138
"1159291"	99.571101	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+3ACN+2H"	125.094202
"1704832"	206.074685	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+NH4+CF3COOH"	132.026685
"1649559"	211.03008	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+Na+CF3COOH"	136.98208
"1578322"	227.00402	"C16363"	"N-Methylurea;Methylurea"	"C2H6N2O"	"74.048"	"M+K+CF3COOH"	152.95602
"808689"	88.0637	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M"	0
"976754"	69.04531	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-H2O-H"	-19.01839
"73746"	57.7018573333333	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M-3H"	-3.021828
"508932"	87.056424	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M-3H"	-3.021828
"882358"	28.3472906666667	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-3H"	-3.021828
"14059"	87.056424	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M-2H"	-2.014552
"450337"	131.088274	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M-2H"	-2.014552
"823765"	43.024574	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-2H"	-2.014552
"92504"	175.120124	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M-H"	-1.007276
"525502"	263.183824	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M-H"	-1.007276
"901118"	87.056424	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-H"	-1.007276
"53306"	192.146671	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M-2H+NH4"	16.019271
"496147"	280.210371	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M-2H+NH4"	16.019271
"870670"	104.082971	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-2H+NH4"	16.019271
"41849"	197.102066	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M-2H+Na"	20.974666
"478127"	285.165766	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M-2H+Na"	20.974666
"852649"	109.038366	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-2H+Na"	20.974666
"1622915"	109.038366	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Na-2H"	20.974666
"104188"	105.044763	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M-H+Cl"	33.962126
"541562"	149.076613	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M-H+Cl"	33.962126
"937262"	61.012913	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-H+Cl"	33.962126
"274727"	211.096802	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+Cl"	34.969402
"671523"	299.160502	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+Cl"	34.969402
"1282832"	123.033102	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Cl"	34.969402
"18099"	213.076006	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M-2H+K"	36.948606
"463854"	301.139706	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M-2H+K"	36.948606
"838376"	125.012306	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-2H+K"	36.948606
"1556761"	125.012306	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+K-2H"	36.948606
"951934"	133.061894	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-H+HCOOH"	44.998194
"369058"	221.125601	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+HCOOH-H"	44.998201
"351850"	235.141251	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+Hac-H"	59.013851
"1498495"	147.077551	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Hac-H"	59.013851
"968227"	155.043851	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-H+NaCOOH"	66.980151
"111301"	123.033102	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+2Cl"	69.938804
"555599"	167.064952	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+2Cl"	69.938804
"1033147"	79.001252	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2Cl"	69.938804
"1250539"	166.982585	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Br"	78.918885
"1312988"	169.038572	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Cl+HCOOH"	80.974872
"1333402"	191.020529	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Cl+NaCOOH"	102.956829
"921545"	201.049286	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M-H+CF3COOH"	112.985586
"1300440"	237.025964	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Cl+CF3COOH"	148.962264
"1369859"	53.051024	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H-2H2O"	-35.012676
"1386259"	71.061	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H-H2O"	-17.0027
"284123"	177.134676	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+H"	1.007276
"681646"	265.198376	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+H"	1.007276
"1359088"	89.070976	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H"	1.007276
"131978"	89.070976	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+2H"	2.014552
"572632"	133.102826	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+2H"	2.014552
"1047991"	45.039126	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2H"	2.014552
"214799"	59.7164093333333	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+3H"	3.021828
"650350"	89.070976	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+3H"	3.021828
"1168842"	30.3618426666667	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+3H"	3.021828
"432478"	194.161223	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+NH4"	18.033823
"788004"	282.224923	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+NH4"	18.033823
"1683605"	106.097523	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+NH4"	18.033823
"333341"	97.5842495	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+H+NH4"	19.041099
"725763"	141.6160995	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+H+NH4"	19.041099
"1484687"	53.5523995	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H+NH4"	19.041099
"403005"	199.116618	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+Na"	22.989218
"766188"	287.180318	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+Na"	22.989218
"1613193"	111.052918	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Na"	22.989218
"326509"	100.061947	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+H+Na"	23.996494
"718929"	144.093797	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+H+Na"	23.996494
"1470563"	56.030097	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H+Na"	23.996494
"1058342"	37.6891566666667	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2H+Na"	25.00377
"1262210"	121.097186	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+CH3OH+H"	33.033486
"381878"	215.090558	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+K"	38.963158
"741783"	303.154258	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+K"	38.963158
"1541651"	127.026858	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+K"	38.963158
"298557"	108.048917	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+H+K"	39.970434
"692348"	152.080767	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+H+K"	39.970434
"1449449"	64.017067	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H+K"	39.970434
"239506"	218.161226	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+ACN+H"	42.033826
"1214040"	130.097526	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+ACN+H"	42.033826
"1200111"	65.552401	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+ACN+2H"	43.041102
"200638"	221.09856	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+2Na-H"	44.97116
"634731"	309.16226	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+2Na-H"	44.97116
"1145657"	133.03486	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2Na-H"	44.97116
"187006"	111.052918	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+2Na"	45.978436
"625464"	155.084768	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+2Na"	45.978436
"1129706"	67.021068	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2Na"	45.978436
"1408855"	45.0164706666667	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H+2Na"	46.985712
"1438053"	135.076446	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H+HCOOH"	47.012746
"231025"	116.08594	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+3H2O+2H"	56.04448
"1519088"	149.12849	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+IsoProp+H"	61.06479
"415858"	119.039888	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+Na+K"	61.952376
"778678"	163.071738	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+Na+K"	61.952376
"1675011"	75.008038	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Na+K"	61.952376
"260446"	240.143168	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+ACN+Na"	64.015768
"1233157"	152.079468	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+ACN+Na"	64.015768
"1718031"	152.102993	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+NH4+HCOOH"	64.039293
"1182290"	52.3437846666667	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+3Na"	68.967654
"1656190"	157.058388	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Na+HCOOH"	68.994688
"160496"	253.04644	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+2K-H"	76.91904
"598602"	341.11014	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+2K-H"	76.91904
"1085298"	164.98274	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2K-H"	76.91904
"142356"	127.026858	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"2M+2K"	77.926316
"585691"	171.058708	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"3M+2K"	77.926316
"1072392"	82.995008	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2K"	77.926316
"1101224"	166.997292	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2K+H"	78.933592
"1337607"	167.084907	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+DMSO+H"	79.021207
"1007232"	171.124076	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2ACN+H"	83.060376
"1526450"	172.117708	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+IsoProp+Na+H"	84.054008
"997282"	86.065676	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+2ACN+2H"	84.067652
"1599078"	173.032328	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+K+HCOOH"	84.968628
"1424007"	203.063838	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+H+CF3COOH"	115.000138
"1155390"	106.578951	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+3ACN+2H"	125.094202
"1704942"	220.090385	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+NH4+CF3COOH"	132.026685
"1649345"	225.04578	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+Na+CF3COOH"	136.98208
"1581712"	241.01972	"C16364"	"NN-Dimethylurea;13-Dimethylurea"	"C3H8N2O"	"88.0637"	"M+K+CF3COOH"	152.95602
"807706"	226.0702	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M"	0
"975771"	207.05181	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-H2O-H"	-19.01839
"70576"	149.706190666667	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M-3H"	-3.021828
"509042"	225.062924	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M-3H"	-3.021828
"882468"	74.3494573333333	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-3H"	-3.021828
"13074"	225.062924	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M-2H"	-2.014552
"444980"	338.098024	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M-2H"	-2.014552
"824968"	112.027824	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-2H"	-2.014552
"92251"	451.133124	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M-H"	-1.007276
"525612"	677.203324	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M-H"	-1.007276
"903415"	225.062924	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-H"	-1.007276
"55603"	468.159671	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M-2H+NH4"	16.019271
"496257"	694.229871	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M-2H+NH4"	16.019271
"871144"	242.089471	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-2H+NH4"	16.019271
"41959"	473.115066	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M-2H+Na"	20.974666
"476050"	699.185266	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M-2H+Na"	20.974666
"851665"	247.044866	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-2H+Na"	20.974666
"1623025"	247.044866	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Na-2H"	20.974666
"102112"	243.051263	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M-H+Cl"	33.962126
"541673"	356.086363	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M-H+Cl"	33.962126
"937373"	130.016163	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-H+Cl"	33.962126
"274837"	487.109802	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+Cl"	34.969402
"673577"	713.180002	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+Cl"	34.969402
"1281849"	261.039602	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Cl"	34.969402
"26593"	489.089006	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M-2H+K"	36.948606
"461776"	715.159206	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M-2H+K"	36.948606
"838486"	263.018806	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-2H+K"	36.948606
"1556628"	263.018806	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+K-2H"	36.948606
"949857"	271.068394	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-H+HCOOH"	44.998194
"366981"	497.138601	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+HCOOH-H"	44.998201
"351960"	511.154251	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+Hac-H"	59.013851
"1496782"	285.084051	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Hac-H"	59.013851
"968337"	293.050351	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-H+NaCOOH"	66.980151
"122709"	261.039602	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+2Cl"	69.938804
"561179"	374.074702	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+2Cl"	69.938804
"1033256"	148.004502	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2Cl"	69.938804
"1247369"	304.989085	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Br"	78.918885
"1313098"	307.045072	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Cl+HCOOH"	80.974872
"1330596"	329.027029	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Cl+NaCOOH"	102.956829
"923842"	339.055786	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M-H+CF3COOH"	112.985586
"1301643"	375.032464	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Cl+CF3COOH"	148.962264
"1369969"	191.057524	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H-2H2O"	-35.012676
"1385639"	209.0675	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H-H2O"	-17.0027
"284962"	453.147676	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+H"	1.007276
"680663"	679.217876	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+H"	1.007276
"1354459"	227.077476	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H"	1.007276
"130262"	227.077476	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+2H"	2.014552
"571648"	340.112576	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+2H"	2.014552
"1047007"	114.042376	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2H"	2.014552
"214910"	151.720742666667	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+3H"	3.021828
"651919"	227.077476	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+3H"	3.021828
"1170045"	76.3640093333333	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+3H"	3.021828
"435868"	470.174223	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+NH4"	18.033823
"789572"	696.244423	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+NH4"	18.033823
"1682987"	244.104023	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+NH4"	18.033823
"336005"	235.5907495	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+H+NH4"	19.041099
"728426"	348.6258495	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+H+NH4"	19.041099
"1482245"	122.5556495	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H+NH4"	19.041099
"398738"	475.129618	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+Na"	22.989218
"763015"	701.199818	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+Na"	22.989218
"1616462"	249.059418	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Na"	22.989218
"325526"	238.068447	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+H+Na"	23.996494
"715757"	351.103547	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+H+Na"	23.996494
"1468486"	125.033347	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H+Na"	23.996494
"1059544"	83.6913233333333	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2H+Na"	25.00377
"1261590"	259.103686	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+CH3OH+H"	33.033486
"381988"	491.103558	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+K"	38.963158
"744082"	717.173758	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+K"	38.963158
"1540303"	265.033358	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+K"	38.963158
"298554"	246.055417	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+H+K"	39.970434
"692458"	359.090517	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+H+K"	39.970434
"1449559"	133.020317	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H+K"	39.970434
"240345"	494.174226	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+ACN+H"	42.033826
"1215243"	268.104026	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+ACN+H"	42.033826
"1198035"	134.555651	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+ACN+2H"	43.041102
"199655"	497.11156	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+2Na-H"	44.97116
"634841"	723.18176	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+2Na-H"	44.97116
"1146497"	271.04136	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2Na-H"	44.97116
"187360"	249.059418	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+2Na"	45.978436
"625574"	362.094518	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+2Na"	45.978436
"1130180"	136.024318	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2Na"	45.978436
"1409327"	91.0186373333333	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H+2Na"	46.985712
"1438163"	273.082946	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H+HCOOH"	47.012746
"226762"	254.09244	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+3H2O+2H"	56.04448
"1522114"	287.13499	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+IsoProp+H"	61.06479
"415605"	257.046388	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+Na+K"	61.952376
"778787"	370.081488	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+Na+K"	61.952376
"1675121"	144.011288	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Na+K"	61.952376
"261650"	516.156168	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+ACN+Na"	64.015768
"1231081"	290.085968	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+ACN+Na"	64.015768
"1716319"	290.109493	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+NH4+HCOOH"	64.039293
"1180214"	98.3459513333333	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+3Na"	68.967654
"1654114"	295.064888	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Na+HCOOH"	68.994688
"159513"	529.05944	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+2K-H"	76.91904
"597981"	755.12964	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+2K-H"	76.91904
"1087229"	302.98924	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2K-H"	76.91904
"141979"	265.033358	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"2M+2K"	77.926316
"586895"	378.068458	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"3M+2K"	77.926316
"1073595"	151.998258	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2K"	77.926316
"1101335"	305.003792	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2K+H"	78.933592
"1336625"	305.091407	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+DMSO+H"	79.021207
"1007342"	309.130576	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2ACN+H"	83.060376
"1527654"	310.124208	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+IsoProp+Na+H"	84.054008
"999579"	155.068926	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+2ACN+2H"	84.067652
"1599553"	311.038828	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+K+HCOOH"	84.968628
"1424117"	341.070338	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+H+CF3COOH"	115.000138
"1158780"	175.582201	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+3ACN+2H"	125.094202
"1705052"	358.096885	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+NH4+CF3COOH"	132.026685
"1648362"	363.05228	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+Na+CF3COOH"	136.98208
"1581822"	379.02622	"C16365"	"5-Acetylamino-6-formylamino-3-methyluracil;AFMU"	"C8H10N4O4"	"226.0702"	"M+K+CF3COOH"	152.95602
"808909"	198.0753	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M"	0
"975881"	179.05691	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-H2O-H"	-19.01839
"71779"	131.042924	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M-3H"	-3.021828
"508059"	197.068024	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M-3H"	-3.021828
"881484"	65.017824	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-3H"	-3.021828
"13184"	197.068024	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M-2H"	-2.014552
"445089"	296.105674	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M-2H"	-2.014552
"818880"	98.030374	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-2H"	-2.014552
"86164"	395.143324	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M-H"	-1.007276
"521348"	593.218624	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M-H"	-1.007276
"901702"	197.068024	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-H"	-1.007276
"50974"	412.169871	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M-2H+NH4"	16.019271
"493815"	610.245171	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M-2H+NH4"	16.019271
"870890"	214.094571	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-2H+NH4"	16.019271
"38789"	417.125266	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M-2H+Na"	20.974666
"472065"	615.200566	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M-2H+Na"	20.974666
"849950"	219.049966	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-2H+Na"	20.974666
"1621312"	219.049966	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Na-2H"	20.974666
"97108"	215.056363	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M-H+Cl"	33.962126
"540683"	314.094013	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M-H+Cl"	33.962126
"937481"	116.018713	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-H+Cl"	33.962126
"274947"	431.120002	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+Cl"	34.969402
"671742"	629.195302	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+Cl"	34.969402
"1279772"	233.044702	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Cl"	34.969402
"21236"	433.099206	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M-2H+K"	36.948606
"461886"	631.174506	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M-2H+K"	36.948606
"838595"	235.023906	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-2H+K"	36.948606
"1558803"	235.023906	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+K-2H"	36.948606
"948873"	243.073494	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-H+HCOOH"	44.998194
"367091"	441.148801	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+HCOOH-H"	44.998201
"349883"	455.164451	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+Hac-H"	59.013851
"1493853"	257.089151	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Hac-H"	59.013851
"962979"	265.055451	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-H+NaCOOH"	66.980151
"119539"	233.044702	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+2Cl"	69.938804
"554727"	332.082352	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+2Cl"	69.938804
"1031182"	134.007052	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2Cl"	69.938804
"1247475"	276.994185	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Br"	78.918885
"1309923"	279.050172	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Cl+HCOOH"	80.974872
"1330703"	301.032129	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Cl+NaCOOH"	102.956829
"921765"	311.060886	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M-H+CF3COOH"	112.985586
"1299566"	347.037564	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Cl+CF3COOH"	148.962264
"1367404"	163.062624	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H-2H2O"	-35.012676
"1386477"	181.0726	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H-H2O"	-17.0027
"285070"	397.157876	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+H"	1.007276
"678586"	595.233176	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+H"	1.007276
"1352748"	199.082576	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H"	1.007276
"128913"	199.082576	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+2H"	2.014552
"571758"	298.120226	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+2H"	2.014552
"1046024"	100.044926	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2H"	2.014552
"213197"	133.057476	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+3H"	3.021828
"648020"	199.082576	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+3H"	3.021828
"1169062"	67.032376	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+3H"	3.021828
"433064"	414.184423	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+NH4"	18.033823
"789319"	612.259723	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+NH4"	18.033823
"1683827"	216.109123	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+NH4"	18.033823
"334658"	207.5958495	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+H+NH4"	19.041099
"729630"	306.6334995	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+H+NH4"	19.041099
"1483449"	108.5581995	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H+NH4"	19.041099
"397755"	419.139818	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+Na"	22.989218
"764218"	617.215118	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+Na"	22.989218
"1614505"	221.064518	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Na"	22.989218
"324543"	210.073547	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+H+Na"	23.996494
"715867"	309.111197	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+H+Na"	23.996494
"1469689"	111.035897	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H+Na"	23.996494
"1060747"	74.35969	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2H+Na"	25.00377
"1261336"	231.108786	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+CH3OH+H"	33.033486
"382098"	435.113758	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+K"	38.963158
"746379"	633.189058	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+K"	38.963158
"1541506"	237.038458	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+K"	38.963158
"298922"	218.060517	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+H+K"	39.970434
"694025"	317.098167	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+H+K"	39.970434
"1448938"	119.022867	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H+K"	39.970434
"239723"	438.184426	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+ACN+H"	42.033826
"1215352"	240.109126	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+ACN+H"	42.033826
"1199598"	120.558201	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+ACN+2H"	43.041102
"197576"	441.12176	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+2Na-H"	44.97116
"633855"	639.19706	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+2Na-H"	44.97116
"1145143"	243.04646	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2Na-H"	44.97116
"187348"	221.064518	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+2Na"	45.978436
"623497"	320.102168	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+2Na"	45.978436
"1130290"	122.026868	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2Na"	45.978436
"1409437"	81.687004	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H+2Na"	46.985712
"1438273"	245.088046	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H+HCOOH"	47.012746
"226872"	226.09754	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+3H2O+2H"	56.04448
"1520401"	259.14009	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+IsoProp+H"	61.06479
"414622"	229.051488	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+Na+K"	61.952376
"779990"	328.089138	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+Na+K"	61.952376
"1673044"	130.013838	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Na+K"	61.952376
"257382"	460.166368	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+ACN+Na"	64.015768
"1230095"	262.091068	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+ACN+Na"	64.015768
"1714970"	262.114593	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+NH4+HCOOH"	64.039293
"1179960"	89.014318	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+3Na"	68.967654
"1653130"	267.069988	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Na+HCOOH"	68.994688
"160351"	473.06964	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+2K-H"	76.91904
"597484"	671.14494	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+2K-H"	76.91904
"1086246"	274.99434	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2K-H"	76.91904
"141645"	237.038458	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"2M+2K"	77.926316
"585912"	336.076108	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"3M+2K"	77.926316
"1073705"	138.000808	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2K"	77.926316
"1101687"	277.008892	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2K+H"	78.933592
"1336856"	277.096507	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+DMSO+H"	79.021207
"1007694"	281.135676	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2ACN+H"	83.060376
"1526671"	282.129308	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+IsoProp+Na+H"	84.054008
"998596"	141.071476	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+2ACN+2H"	84.067652
"1598570"	283.043928	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+K+HCOOH"	84.968628
"1424227"	313.075438	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+H+CF3COOH"	115.000138
"1158890"	161.584751	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+3ACN+2H"	125.094202
"1705162"	330.101985	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+NH4+CF3COOH"	132.026685
"1648472"	335.05738	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+Na+CF3COOH"	136.98208
"1581932"	351.03132	"C16366"	"5-Acetylamino-6-amino-3-methyluracil;AAMU"	"C7H10N4O3"	"198.0753"	"M+K+CF3COOH"	152.95602
"809019"	627.135	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M"	0
"975991"	608.11661	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-H2O-H"	-19.01839
"71889"	417.082724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M-3H"	-3.021828
"509262"	626.127724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M-3H"	-3.021828
"882687"	208.037724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-3H"	-3.021828
"12201"	626.127724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M-2H"	-2.014552
"444107"	939.695224	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M-2H"	-2.014552
"817897"	312.560224	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-2H"	-2.014552
"86274"	1253.262724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M-H"	-1.007276
"520364"	1880.397724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M-H"	-1.007276
"900720"	626.127724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-H"	-1.007276
"51084"	1270.289271	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M-2H+NH4"	16.019271
"493561"	1897.424271	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M-2H+NH4"	16.019271
"871000"	643.154271	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-2H+NH4"	16.019271
"35983"	1275.244666	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M-2H+Na"	20.974666
"472377"	1902.379666	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M-2H+Na"	20.974666
"848968"	648.109666	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-2H+Na"	20.974666
"1620084"	648.109666	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Na-2H"	20.974666
"95760"	644.116063	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M-H+Cl"	33.962126
"540793"	957.683563	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M-H+Cl"	33.962126
"937590"	330.548563	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-H+Cl"	33.962126
"278337"	1289.239402	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+Cl"	34.969402
"671852"	1916.374402	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+Cl"	34.969402
"1282069"	662.104402	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Cl"	34.969402
"20254"	1291.218606	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M-2H+K"	36.948606
"459812"	1918.353606	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M-2H+K"	36.948606
"841988"	664.083606	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-2H+K"	36.948606
"1565475"	664.083606	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+K-2H"	36.948606
"948983"	672.133194	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-H+HCOOH"	44.998194
"367201"	1299.268201	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+HCOOH-H"	44.998201
"349263"	1313.283851	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+Hac-H"	59.013851
"1497367"	686.148851	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Hac-H"	59.013851
"964179"	694.115151	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-H+NaCOOH"	66.980151
"114546"	662.104402	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+2Cl"	69.938804
"555930"	975.671902	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+2Cl"	69.938804
"1031291"	348.536902	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2Cl"	69.938804
"1245397"	706.053885	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Br"	78.918885
"1308940"	708.109872	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Cl+HCOOH"	80.974872
"1325346"	730.091829	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Cl+NaCOOH"	102.956829
"915311"	740.120586	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M-H+CF3COOH"	112.985586
"1295302"	776.097264	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Cl+CF3COOH"	148.962264
"1374559"	592.122324	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H-2H2O"	-35.012676
"1384764"	610.1323	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H-H2O"	-17.0027
"284451"	1255.277276	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+H"	1.007276
"678693"	1882.412276	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+H"	1.007276
"1354677"	628.142276	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H"	1.007276
"127564"	628.142276	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+2H"	2.014552
"568586"	941.709776	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+2H"	2.014552
"1045040"	314.574776	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2H"	2.014552
"206379"	419.097276	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+3H"	3.021828
"644846"	628.142276	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+3H"	3.021828
"1163823"	210.052276	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+3H"	3.021828
"426611"	1272.303823	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+NH4"	18.033823
"786386"	1899.438823	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+NH4"	18.033823
"1681946"	645.168823	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+NH4"	18.033823
"332578"	636.6555495	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+H+NH4"	19.041099
"726093"	950.2230495	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+H+NH4"	19.041099
"1478818"	323.0880495	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H+NH4"	19.041099
"395677"	1277.259218	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+Na"	22.989218
"757037"	1904.394218	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+Na"	22.989218
"1610241"	650.124218	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Na"	22.989218
"315900"	639.133247	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+H+Na"	23.996494
"711604"	952.700747	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+H+Na"	23.996494
"1466519"	325.565747	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H+Na"	23.996494
"1056485"	217.37959	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2H+Na"	25.00377
"1260352"	660.168486	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+CH3OH+H"	33.033486
"380021"	1293.233158	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+K"	38.963158
"740289"	1920.368158	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+K"	38.963158
"1540518"	666.098158	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+K"	38.963158
"301713"	647.120217	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+H+K"	39.970434
"692311"	960.687717	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+H+K"	39.970434
"1446371"	333.552717	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H+K"	39.970434
"238375"	1296.303826	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+ACN+H"	42.033826
"1214366"	669.168826	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+ACN+H"	42.033826
"1197158"	335.088051	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+ACN+2H"	43.041102
"194407"	1299.24116	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+2Na-H"	44.97116
"632872"	1926.37616	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+2Na-H"	44.97116
"1144035"	672.10616	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2Na-H"	44.97116
"187576"	650.124218	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+2Na"	45.978436
"627498"	963.691718	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+2Na"	45.978436
"1129305"	336.556718	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2Na"	45.978436
"1413803"	224.706904	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H+2Na"	46.985712
"1434009"	674.147746	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H+HCOOH"	47.012746
"225889"	655.15724	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+3H2O+2H"	56.04448
"1518325"	688.19979	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+IsoProp+H"	61.06479
"424006"	658.111188	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+Na+K"	61.952376
"775727"	971.678688	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+Na+K"	61.952376
"1673154"	344.543688	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Na+K"	61.952376
"259678"	1318.285768	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+ACN+Na"	64.015768
"1230205"	691.150768	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+ACN+Na"	64.015768
"1714716"	691.174293	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+NH4+HCOOH"	64.039293
"1183353"	232.034218	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+3Na"	68.967654
"1652148"	696.129688	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Na+HCOOH"	68.994688
"160099"	1331.18904	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+2K-H"	76.91904
"598077"	1958.32404	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+2K-H"	76.91904
"1084492"	704.05404	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2K-H"	76.91904
"141713"	666.098158	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"2M+2K"	77.926316
"587115"	979.665658	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"3M+2K"	77.926316
"1076002"	352.530658	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2K"	77.926316
"1100946"	706.068592	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2K+H"	78.933592
"1337939"	706.156207	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+DMSO+H"	79.021207
"1011937"	710.195376	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2ACN+H"	83.060376
"1527145"	711.189008	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+IsoProp+Na+H"	84.054008
"1000894"	355.601326	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+2ACN+2H"	84.067652
"1602327"	712.103628	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+K+HCOOH"	84.968628
"1428711"	742.135138	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+H+CF3COOH"	115.000138
"1159000"	376.114601	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+3ACN+2H"	125.094202
"1706365"	759.161685	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+NH4+CF3COOH"	132.026685
"1648944"	764.11708	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+Na+CF3COOH"	136.98208
"1575481"	780.09102	"C16367"	"Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)"	"C30H27O15"	"627.135"	"M+K+CF3COOH"	152.95602
"812410"	579.1503	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M"	0
"977194"	560.13191	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-H2O-H"	-19.01839
"71999"	385.092924	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M-3H"	-3.021828
"506092"	578.143024	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M-3H"	-3.021828
"883891"	192.042824	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-3H"	-3.021828
"12311"	578.143024	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M-2H"	-2.014552
"444217"	867.718174	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M-2H"	-2.014552
"822016"	288.567874	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-2H"	-2.014552
"86384"	1157.293324	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M-H"	-1.007276
"522661"	1736.443624	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M-H"	-1.007276
"903746"	578.143024	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-H"	-1.007276
"53746"	1174.319871	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M-2H+NH4"	16.019271
"494400"	1753.470171	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M-2H+NH4"	16.019271
"874390"	595.169571	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-2H+NH4"	16.019271
"39009"	1179.275266	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M-2H+Na"	20.974666
"477474"	1758.425566	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M-2H+Na"	20.974666
"850903"	600.124966	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-2H+Na"	20.974666
"1619342"	600.124966	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Na-2H"	20.974666
"98425"	596.131363	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M-H+Cl"	33.962126
"540173"	885.706513	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M-H+Cl"	33.962126
"937700"	306.556213	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-H+Cl"	33.962126
"279540"	1193.270002	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+Cl"	34.969402
"672692"	1772.420302	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+Cl"	34.969402
"1287646"	614.119702	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Cl"	34.969402
"23644"	1195.249206	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M-2H+K"	36.948606
"464294"	1774.399506	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M-2H+K"	36.948606
"841003"	616.098906	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-2H+K"	36.948606
"1565585"	616.098906	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+K-2H"	36.948606
"949093"	624.148494	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-H+HCOOH"	44.998194
"367311"	1203.298801	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+HCOOH-H"	44.998201
"350468"	1217.314451	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+Hac-H"	59.013851
"1496747"	638.164151	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Hac-H"	59.013851
"964289"	646.130451	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-H+NaCOOH"	66.980151
"115750"	614.119702	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+2Cl"	69.938804
"555310"	903.694852	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+2Cl"	69.938804
"1033586"	324.544552	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2Cl"	69.938804
"1252070"	658.069185	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Br"	78.918885
"1309053"	660.125172	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Cl+HCOOH"	80.974872
"1328738"	682.107129	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Cl+NaCOOH"	102.956829
"918700"	692.135886	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M-H+CF3COOH"	112.985586
"1293225"	728.112564	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Cl+CF3COOH"	148.962264
"1371386"	544.137624	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H-2H2O"	-35.012676
"1385604"	562.1476	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H-H2O"	-17.0027
"285411"	1159.307876	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+H"	1.007276
"678807"	1738.458176	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+H"	1.007276
"1353696"	580.157576	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H"	1.007276
"128771"	580.157576	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+2H"	2.014552
"568697"	869.732726	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+2H"	2.014552
"1043329"	290.582426	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2H"	2.014552
"209044"	387.107476	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+3H"	3.021828
"649333"	580.157576	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+3H"	3.021828
"1166729"	194.057376	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+3H"	3.021828
"431826"	1176.334423	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+NH4"	18.033823
"786983"	1755.484723	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+NH4"	18.033823
"1683681"	597.184123	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+NH4"	18.033823
"332326"	588.6708495	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+H+NH4"	19.041099
"725477"	878.2459995	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+H+NH4"	19.041099
"1479296"	299.0956995	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H+NH4"	19.041099
"394086"	1181.289818	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+Na"	22.989218
"756054"	1760.440118	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+Na"	22.989218
"1609256"	602.139518	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Na"	22.989218
"317106"	591.148547	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+H+Na"	23.996494
"713901"	880.723697	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+H+Na"	23.996494
"1468817"	301.573397	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H+Na"	23.996494
"1057690"	201.38469	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2H+Na"	25.00377
"1260825"	612.183786	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+CH3OH+H"	33.033486
"382317"	1197.263758	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+K"	38.963158
"741129"	1776.414058	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+K"	38.963158
"1544274"	618.113458	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+K"	38.963158
"302551"	599.135517	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+H+K"	39.970434
"696067"	888.710667	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+H+K"	39.970434
"1448427"	309.560367	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H+K"	39.970434
"239943"	1200.334426	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+ACN+H"	42.033826
"1211435"	621.184126	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+ACN+H"	42.033826
"1200547"	311.095701	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+ACN+2H"	43.041102
"194517"	1203.27176	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+2Na-H"	44.97116
"631889"	1782.42206	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+2Na-H"	44.97116
"1140865"	624.12146	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2Na-H"	44.97116
"188048"	602.139518	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+2Na"	45.978436
"620801"	891.714668	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+2Na"	45.978436
"1130146"	312.564368	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2Na"	45.978436
"1409656"	208.712004	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H+2Na"	46.985712
"1438490"	626.163046	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H+HCOOH"	47.012746
"231464"	607.17254	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+3H2O+2H"	56.04448
"1523415"	640.21509	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+IsoProp+H"	61.06479
"422494"	610.126488	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+Na+K"	61.952376
"778025"	899.701638	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+Na+K"	61.952376
"1675451"	320.551338	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Na+K"	61.952376
"260881"	1222.316368	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+ACN+Na"	64.015768
"1232496"	643.166068	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+ACN+Na"	64.015768
"1719197"	643.189593	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+NH4+HCOOH"	64.039293
"1183458"	216.039318	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+3Na"	68.967654
"1654444"	648.144988	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Na+HCOOH"	68.994688
"158993"	1235.21964	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+2K-H"	76.91904
"604146"	1814.36994	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+2K-H"	76.91904
"1091939"	656.06934	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2K-H"	76.91904
"142557"	618.113458	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"2M+2K"	77.926316
"588319"	907.688608	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"3M+2K"	77.926316
"1076113"	328.538308	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2K"	77.926316
"1106040"	658.083892	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2K+H"	78.933592
"1340237"	658.171507	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+DMSO+H"	79.021207
"1017516"	662.210676	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2ACN+H"	83.060376
"1527985"	663.204308	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+IsoProp+Na+H"	84.054008
"998816"	331.608976	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+2ACN+2H"	84.067652
"1594412"	664.118928	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+K+HCOOH"	84.968628
"1426635"	694.150438	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+H+CF3COOH"	115.000138
"1159112"	352.122251	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+3ACN+2H"	125.094202
"1705382"	711.176985	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+NH4+CF3COOH"	132.026685
"1649054"	716.13238	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+Na+CF3COOH"	136.98208
"1578871"	732.10632	"C16368"	"Pelargonidin 3-(6-p-coumaroyl)glucoside"	"C30H27O12"	"579.1503"	"M+K+CF3COOH"	152.95602
"805959"	611.1401	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M"	0
"975723"	592.12171	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-H2O-H"	-19.01839
"65548"	406.419457333333	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M-3H"	-3.021828
"505107"	610.132824	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M-3H"	-3.021828
"882907"	202.706090666667	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-3H"	-3.021828
"11328"	610.132824	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H"	-2.014552
"444327"	915.702874	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H"	-2.014552
"824313"	304.562774	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H"	-2.014552
"86494"	1221.272924	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M-H"	-1.007276
"526052"	1832.413024	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M-H"	-1.007276
"902764"	610.132824	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-H"	-1.007276
"53857"	1238.299471	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H+NH4"	16.019271
"495605"	1849.439571	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H+NH4"	16.019271
"873407"	627.159371	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H+NH4"	16.019271
"33652"	1243.254866	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H+Na"	20.974666
"472117"	1854.394966	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H+Na"	20.974666
"849919"	632.114766	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H+Na"	20.974666
"1618765"	632.114766	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na-2H"	20.974666
"95012"	628.121163	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M-H+Cl"	33.962126
"541014"	933.691213	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M-H+Cl"	33.962126
"937810"	322.551113	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+Cl"	33.962126
"279650"	1257.249602	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Cl"	34.969402
"669886"	1868.389702	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+Cl"	34.969402
"1285570"	646.109502	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl"	34.969402
"23754"	1259.228806	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H+K"	36.948606
"466591"	1870.368906	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H+K"	36.948606
"836740"	648.088706	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H+K"	36.948606
"1569706"	648.088706	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+K-2H"	36.948606
"950298"	656.138294	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+HCOOH"	44.998194
"368514"	1267.278401	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+HCOOH-H"	44.998201
"351672"	1281.294051	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Hac-H"	59.013851
"1496129"	670.153951	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Hac-H"	59.013851
"962578"	678.120251	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+NaCOOH"	66.980151
"113308"	646.109502	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2Cl"	69.938804
"550680"	951.679552	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2Cl"	69.938804
"1023856"	340.539452	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2Cl"	69.938804
"1251087"	690.058985	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Br"	78.918885
"1314629"	692.114972	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl+HCOOH"	80.974872
"1331033"	714.096929	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl+NaCOOH"	102.956829
"923187"	724.125686	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+CF3COOH"	112.985586
"1289081"	760.102364	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl+CF3COOH"	148.962264
"1373682"	576.127424	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H-2H2O"	-35.012676
"1383770"	594.1374	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H-H2O"	-17.0027
"283578"	1223.287476	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H"	1.007276
"677458"	1834.427576	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H"	1.007276
"1352470"	612.147376	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H"	1.007276
"127058"	612.147376	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2H"	2.014552
"568077"	917.717426	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2H"	2.014552
"1042345"	306.577326	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2H"	2.014552
"206967"	408.434009333333	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+3H"	3.021828
"648715"	612.147376	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+3H"	3.021828
"1166839"	204.720642666667	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+3H"	3.021828
"429750"	1240.314023	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+NH4"	18.033823
"788918"	1851.454123	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+NH4"	18.033823
"1682698"	629.173923	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+NH4"	18.033823
"334259"	620.6606495	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H+NH4"	19.041099
"724856"	926.2306995	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H+NH4"	19.041099
"1481593"	315.0905995	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+NH4"	19.041099
"393223"	1245.269418	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Na"	22.989218
"755070"	1856.409518	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+Na"	22.989218
"1610460"	634.129318	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na"	22.989218
"316123"	623.138347	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H+Na"	23.996494
"712918"	928.708397	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H+Na"	23.996494
"1467832"	317.568297	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+Na"	23.996494
"1057798"	212.047956666667	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2H+Na"	25.00377
"1268227"	644.173586	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+CH3OH+H"	33.033486
"384614"	1261.243358	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+K"	38.963158
"744517"	1872.383458	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+K"	38.963158
"1543290"	650.103258	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+K"	38.963158
"299379"	631.125317	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H+K"	39.970434
"692532"	936.695367	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H+K"	39.970434
"1447445"	325.555267	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+K"	39.970434
"238595"	1264.314026	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+ACN+H"	42.033826
"1210937"	653.173926	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+ACN+H"	42.033826
"1199564"	327.090601	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+ACN+2H"	43.041102
"192437"	1267.25136	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2Na-H"	44.97116
"630176"	1878.39146	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2Na-H"	44.97116
"1140975"	656.11126	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2Na-H"	44.97116
"188200"	634.129318	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2Na"	45.978436
"619454"	939.699368	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2Na"	45.978436
"1129890"	328.559268	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2Na"	45.978436
"1409766"	219.375270666667	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+2Na"	46.985712
"1438600"	658.152846	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+HCOOH"	47.012746
"233761"	639.16234	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+3H2O+2H"	56.04448
"1523813"	672.20489	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+IsoProp+H"	61.06479
"422604"	642.116288	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Na+K"	61.952376
"784328"	947.686338	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+Na+K"	61.952376
"1675561"	336.546238	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na+K"	61.952376
"258805"	1286.295968	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+ACN+Na"	64.015768
"1230787"	675.155868	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+ACN+Na"	64.015768
"1717120"	675.179393	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+NH4+HCOOH"	64.039293
"1181381"	226.702584666667	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+3Na"	68.967654
"1650907"	680.134788	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na+HCOOH"	68.994688
"157764"	1299.19924	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2K-H"	76.91904
"597569"	1910.33934	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2K-H"	76.91904
"1088769"	688.05914	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2K-H"	76.91904
"142542"	650.103258	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2K"	77.926316
"589522"	955.673308	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2K"	77.926316
"1077316"	344.533208	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2K"	77.926316
"1110526"	690.073692	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2K+H"	78.933592
"1341442"	690.161307	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+DMSO+H"	79.021207
"1016535"	694.200476	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2ACN+H"	83.060376
"1530283"	695.194108	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+IsoProp+Na+H"	84.054008
"996739"	347.603876	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+2ACN+2H"	84.067652
"1595615"	696.108728	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+K+HCOOH"	84.968628
"1419089"	726.140238	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+CF3COOH"	115.000138
"1159222"	368.117151	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+3ACN+2H"	125.094202
"1705492"	743.166785	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+NH4+CF3COOH"	132.026685
"1647341"	748.12218	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na+CF3COOH"	136.98208
"1578981"	764.09612	"C16369"	"Cyanidin 3-(6-p-caffeoyl)glucoside"	"C30H27O14"	"611.1401"	"M+K+CF3COOH"	152.95602
"806069"	611.1401	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M"	0
"975591"	592.12171	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-H2O-H"	-19.01839
"65658"	406.419457333333	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M-3H"	-3.021828
"506310"	610.132824	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M-3H"	-3.021828
"883017"	202.706090666667	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-3H"	-3.021828
"11438"	610.132824	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H"	-2.014552
"444437"	915.702874	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H"	-2.014552
"823330"	304.562774	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H"	-2.014552
"86604"	1221.272924	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M-H"	-1.007276
"526162"	1832.413024	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M-H"	-1.007276
"901781"	610.132824	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-H"	-1.007276
"52874"	1238.299471	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H+NH4"	16.019271
"494622"	1849.439571	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H+NH4"	16.019271
"871329"	627.159371	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H+NH4"	16.019271
"35948"	1243.254866	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H+Na"	20.974666
"473683"	1854.394966	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H+Na"	20.974666
"849336"	632.114766	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H+Na"	20.974666
"1619318"	632.114766	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na-2H"	20.974666
"95365"	628.121163	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M-H+Cl"	33.962126
"538937"	933.691213	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M-H+Cl"	33.962126
"936827"	322.551113	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+Cl"	33.962126
"279759"	1257.249602	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Cl"	34.969402
"668903"	1868.389702	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+Cl"	34.969402
"1282398"	646.109502	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl"	34.969402
"23864"	1259.228806	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M-2H+K"	36.948606
"463422"	1870.368906	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M-2H+K"	36.948606
"836850"	648.088706	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-2H+K"	36.948606
"1570545"	648.088706	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+K-2H"	36.948606
"950408"	656.138294	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+HCOOH"	44.998194
"369718"	1267.278401	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+HCOOH-H"	44.998201
"348136"	1281.294051	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Hac-H"	59.013851
"1495874"	670.153951	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Hac-H"	59.013851
"966696"	678.120251	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+NaCOOH"	66.980151
"110621"	646.109502	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2Cl"	69.938804
"555165"	951.679552	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2Cl"	69.938804
"1023962"	340.539452	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2Cl"	69.938804
"1244633"	690.058985	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Br"	78.918885
"1308175"	692.114972	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl+HCOOH"	80.974872
"1324582"	714.096929	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl+NaCOOH"	102.956829
"916736"	724.125686	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M-H+CF3COOH"	112.985586
"1288945"	760.102364	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Cl+CF3COOH"	148.962264
"1370512"	576.127424	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H-2H2O"	-35.012676
"1383636"	594.1374	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H-H2O"	-17.0027
"283691"	1223.287476	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H"	1.007276
"676475"	1834.427576	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H"	1.007276
"1351486"	612.147376	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H"	1.007276
"126441"	612.147376	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2H"	2.014552
"566365"	917.717426	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2H"	2.014552
"1047559"	306.577326	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2H"	2.014552
"207076"	408.434009333333	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+3H"	3.021828
"649555"	612.147376	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+3H"	3.021828
"1167679"	204.720642666667	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+3H"	3.021828
"428766"	1240.314023	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+NH4"	18.033823
"786842"	1851.454123	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+NH4"	18.033823
"1683538"	629.173923	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+NH4"	18.033823
"333274"	620.6606495	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H+NH4"	19.041099
"725329"	926.2306995	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H+NH4"	19.041099
"1478788"	315.0905995	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+NH4"	19.041099
"394917"	1245.269418	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Na"	22.989218
"755912"	1856.409518	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+Na"	22.989218
"1609478"	634.129318	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na"	22.989218
"319513"	623.138347	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H+Na"	23.996494
"713029"	928.708397	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H+Na"	23.996494
"1465757"	317.568297	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+Na"	23.996494
"1055723"	212.047956666667	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2H+Na"	25.00377
"1266151"	644.173586	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+CH3OH+H"	33.033486
"382537"	1261.243358	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+K"	38.963158
"741348"	1872.383458	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+K"	38.963158
"1541338"	650.103258	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+K"	38.963158
"300218"	631.125317	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+H+K"	39.970434
"693734"	936.695367	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+H+K"	39.970434
"1448283"	325.555267	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+K"	39.970434
"240895"	1264.314026	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+ACN+H"	42.033826
"1212507"	653.173926	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+ACN+H"	42.033826
"1198582"	327.090601	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+ACN+2H"	43.041102
"193640"	1267.25136	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2Na-H"	44.97116
"631016"	1878.39146	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2Na-H"	44.97116
"1135617"	656.11126	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2Na-H"	44.97116
"185113"	634.129318	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2Na"	45.978436
"622844"	939.699368	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2Na"	45.978436
"1127085"	328.559268	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2Na"	45.978436
"1406596"	219.375270666667	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+2Na"	46.985712
"1439805"	658.152846	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+HCOOH"	47.012746
"231320"	639.16234	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+3H2O+2H"	56.04448
"1520843"	672.20489	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+IsoProp+H"	61.06479
"420161"	642.116288	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+Na+K"	61.952376
"784078"	947.686338	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+Na+K"	61.952376
"1670200"	336.546238	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na+K"	61.952376
"258915"	1286.295968	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+ACN+Na"	64.015768
"1233811"	675.155868	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+ACN+Na"	64.015768
"1717230"	675.179393	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+NH4+HCOOH"	64.039293
"1180397"	226.702584666667	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+3Na"	68.967654
"1650894"	680.134788	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na+HCOOH"	68.994688
"160061"	1299.19924	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2K-H"	76.91904
"599990"	1910.33934	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2K-H"	76.91904
"1085598"	688.05914	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2K-H"	76.91904
"144599"	650.103258	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"2M+2K"	77.926316
"589632"	955.673308	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"3M+2K"	77.926316
"1077426"	344.533208	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2K"	77.926316
"1111729"	690.073692	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2K+H"	78.933592
"1342645"	690.161307	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+DMSO+H"	79.021207
"1015552"	694.200476	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2ACN+H"	83.060376
"1529300"	695.194108	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+IsoProp+Na+H"	84.054008
"997942"	347.603876	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+2ACN+2H"	84.067652
"1595725"	696.108728	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+K+HCOOH"	84.968628
"1419199"	726.140238	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+H+CF3COOH"	115.000138
"1159331"	368.117151	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+3ACN+2H"	125.094202
"1706695"	743.166785	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+NH4+CF3COOH"	132.026685
"1646722"	748.12218	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+Na+CF3COOH"	136.98208
"1579091"	764.09612	"C16370"	"Delphinidin 3-(6-p-coumaroyl)glucoside"	"C30H27O14"	"611.1401"	"M+K+CF3COOH"	152.95602
"809459"	757.198	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M"	0
"976430"	738.17961	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-H2O-H"	-19.01839
"65768"	503.791390666667	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M-3H"	-3.021828
"506420"	756.190724	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M-3H"	-3.021828
"883127"	251.392057333333	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-3H"	-3.021828
"11548"	756.190724	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M-2H"	-2.014552
"447827"	1134.789724	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M-2H"	-2.014552
"822347"	377.591724	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-2H"	-2.014552
"86714"	1513.388724	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M-H"	-1.007276
"526272"	2270.586724	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M-H"	-1.007276
"901890"	756.190724	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-H"	-1.007276
"52255"	1530.415271	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M-2H+NH4"	16.019271
"495825"	2287.613271	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M-2H+NH4"	16.019271
"870710"	773.217271	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-2H+NH4"	16.019271
"37151"	1535.370666	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M-2H+Na"	20.974666
"473794"	2292.568666	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M-2H+Na"	20.974666
"850256"	778.172666	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-2H+Na"	20.974666
"1618860"	778.172666	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Na-2H"	20.974666
"94860"	774.179063	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M-H+Cl"	33.962126
"534830"	1152.778063	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M-H+Cl"	33.962126
"929281"	395.580063	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-H+Cl"	33.962126
"276588"	1549.365402	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+Cl"	34.969402
"672292"	2306.563402	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+Cl"	34.969402
"1283601"	792.167402	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Cl"	34.969402
"20694"	1551.344606	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M-2H+K"	36.948606
"461344"	2308.542606	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M-2H+K"	36.948606
"835867"	794.146606	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-2H+K"	36.948606
"1565915"	794.146606	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+K-2H"	36.948606
"950517"	802.196194	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-H+HCOOH"	44.998194
"368734"	1559.394201	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+HCOOH-H"	44.998201
"346788"	1573.409851	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+Hac-H"	59.013851
"1493796"	816.211851	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Hac-H"	59.013851
"961338"	824.178151	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-H+NaCOOH"	66.980151
"111703"	792.167402	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+2Cl"	69.938804
"555274"	1170.766402	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+2Cl"	69.938804
"1023343"	413.568402	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2Cl"	69.938804
"1242555"	836.116885	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Br"	78.918885
"1308285"	838.172872	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Cl+HCOOH"	80.974872
"1323595"	860.154829	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Cl+NaCOOH"	102.956829
"911780"	870.183586	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M-H+CF3COOH"	112.985586
"1289421"	906.160264	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Cl+CF3COOH"	148.962264
"1367579"	722.185324	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H-2H2O"	-35.012676
"1382929"	740.1953	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H-H2O"	-17.0027
"283221"	1515.403276	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+H"	1.007276
"675848"	2272.601276	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+H"	1.007276
"1351831"	758.205276	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H"	1.007276
"125856"	758.205276	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+2H"	2.014552
"566839"	1136.804276	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+2H"	2.014552
"1042201"	379.606276	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2H"	2.014552
"204997"	505.805942666667	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+3H"	3.021828
"648571"	758.205276	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+3H"	3.021828
"1166697"	253.406609333333	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+3H"	3.021828
"425228"	1532.429823	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+NH4"	18.033823
"786706"	2289.627823	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+NH4"	18.033823
"1682063"	775.231823	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+NH4"	18.033823
"332288"	766.7185495	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+H+NH4"	19.041099
"723981"	1145.3175495	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+H+NH4"	19.041099
"1478893"	388.1195495	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H+NH4"	19.041099
"393445"	1537.385218	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+Na"	22.989218
"756024"	2294.583218	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+Na"	22.989218
"1604121"	780.187218	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Na"	22.989218
"317437"	769.196247	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+H+Na"	23.996494
"709860"	1147.795247	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+H+Na"	23.996494
"1461735"	390.597247	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H+Na"	23.996494
"1054254"	260.733923333333	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2H+Na"	25.00377
"1262980"	790.231486	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+CH3OH+H"	33.033486
"380825"	1553.359158	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+K"	38.963158
"741821"	2310.557158	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+K"	38.963158
"1542420"	796.161158	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+K"	38.963158
"299840"	777.183217	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+H+K"	39.970434
"692262"	1155.782217	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+H+K"	39.970434
"1449485"	398.584217	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H+K"	39.970434
"239909"	1556.429826	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+ACN+H"	42.033826
"1212007"	799.231826	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+ACN+H"	42.033826
"1196502"	400.119551	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+ACN+2H"	43.041102
"192655"	1559.36716	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+2Na-H"	44.97116
"633308"	2316.56516	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+2Na-H"	44.97116
"1135727"	802.16916	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2Na-H"	44.97116
"186554"	780.187218	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+2Na"	45.978436
"622954"	1158.786218	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+2Na"	45.978436
"1124276"	401.588218	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2Na"	45.978436
"1406706"	268.061237333333	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H+2Na"	46.985712
"1434446"	804.210746	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H+HCOOH"	47.012746
"227421"	785.22024	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+3H2O+2H"	56.04448
"1519494"	818.26279	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+IsoProp+H"	61.06479
"419178"	788.174188	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+Na+K"	61.952376
"782729"	1166.773188	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+Na+K"	61.952376
"1672497"	409.575188	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Na+K"	61.952376
"259025"	1578.411768	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+ACN+Na"	64.015768
"1232828"	821.213768	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+ACN+Na"	64.015768
"1717339"	821.237293	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+NH4+HCOOH"	64.039293
"1180506"	275.388551333333	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+3Na"	68.967654
"1650763"	826.192688	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Na+HCOOH"	68.994688
"158713"	1591.31504	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+2K-H"	76.91904
"598520"	2348.51304	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+2K-H"	76.91904
"1085217"	834.11704	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2K-H"	76.91904
"141827"	796.161158	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"2M+2K"	77.926316
"589742"	1174.760158	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"3M+2K"	77.926316
"1073160"	417.562158	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2K"	77.926316
"1106370"	836.131592	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2K+H"	78.933592
"1342755"	836.219207	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+DMSO+H"	79.021207
"1016753"	840.258376	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2ACN+H"	83.060376
"1530503"	841.252008	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+IsoProp+Na+H"	84.054008
"998052"	420.632826	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+2ACN+2H"	84.067652
"1596928"	842.166628	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+K+HCOOH"	84.968628
"1419309"	872.198138	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+H+CF3COOH"	115.000138
"1158348"	441.146101	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+3ACN+2H"	125.094202
"1706805"	889.224685	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+NH4+CF3COOH"	132.026685
"1645739"	894.18008	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+Na+CF3COOH"	136.98208
"1579201"	910.15402	"C16371"	"Pelargonidin 3-glucoside 5-caffeoylglucoside"	"C36H37O18"	"757.198"	"M+K+CF3COOH"	152.95602
"812849"	773.1929	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M"	0
"979821"	754.17451	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-H2O-H"	-19.01839
"69158"	514.454657333333	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M-3H"	-3.021828
"506530"	772.185624	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M-3H"	-3.021828
"884331"	256.723690666667	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-3H"	-3.021828
"13117"	772.185624	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M-2H"	-2.014552
"449031"	1158.782074	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M-2H"	-2.014552
"823550"	385.589174	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-2H"	-2.014552
"87917"	1545.378524	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M-H"	-1.007276
"527476"	2318.571424	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M-H"	-1.007276
"905281"	772.185624	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-H"	-1.007276
"53095"	1562.405071	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M-2H+NH4"	16.019271
"493019"	2335.597971	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M-2H+NH4"	16.019271
"869361"	789.212171	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-2H+NH4"	16.019271
"33980"	1567.360466	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M-2H+Na"	20.974666
"473416"	2340.553366	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M-2H+Na"	20.974666
"851094"	794.167566	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-2H+Na"	20.974666
"1619658"	794.167566	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Na-2H"	20.974666
"98867"	790.173963	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M-H+Cl"	33.962126
"536605"	1176.770413	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M-H+Cl"	33.962126
"929755"	403.577513	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-H+Cl"	33.962126
"275604"	1581.355202	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+Cl"	34.969402
"670213"	2354.548102	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+Cl"	34.969402
"1282617"	808.162302	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Cl"	34.969402
"25178"	1583.334406	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M-2H+K"	36.948606
"464735"	2356.527306	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M-2H+K"	36.948606
"839257"	810.141506	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-2H+K"	36.948606
"1566025"	810.141506	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+K-2H"	36.948606
"949534"	818.191094	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-H+HCOOH"	44.998194
"368842"	1591.384001	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+HCOOH-H"	44.998201
"351633"	1605.399651	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+Hac-H"	59.013851
"1501559"	832.206751	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Hac-H"	59.013851
"963635"	840.173051	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-H+NaCOOH"	66.980151
"111203"	808.162302	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+2Cl"	69.938804
"551250"	1194.758752	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+2Cl"	69.938804
"1025639"	421.565852	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2Cl"	69.938804
"1242301"	852.111785	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Br"	78.918885
"1309489"	854.167772	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Cl+HCOOH"	80.974872
"1321522"	876.149729	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Cl+NaCOOH"	102.956829
"914401"	886.178486	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M-H+CF3COOH"	112.985586
"1292201"	922.155164	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Cl+CF3COOH"	148.962264
"1367449"	738.180224	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H-2H2O"	-35.012676
"1382842"	756.1902	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H-H2O"	-17.0027
"283055"	1547.393076	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+H"	1.007276
"676327"	2320.585976	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+H"	1.007276
"1351946"	774.200176	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H"	1.007276
"126781"	774.200176	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+2H"	2.014552
"567675"	1160.796626	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+2H"	2.014552
"1043404"	387.603726	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2H"	2.014552
"204862"	516.469209333333	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+3H"	3.021828
"648681"	774.200176	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+3H"	3.021828
"1167899"	258.738242666667	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+3H"	3.021828
"427889"	1564.419623	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+NH4"	18.033823
"787058"	2337.612523	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+NH4"	18.033823
"1682174"	791.226723	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+NH4"	18.033823
"332399"	782.7134495	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+H+NH4"	19.041099
"723846"	1169.3098995	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+H+NH4"	19.041099
"1479005"	396.1169995	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H+NH4"	19.041099
"394773"	1569.375018	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+Na"	22.989218
"755404"	2342.567918	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+Na"	22.989218
"1604352"	796.182118	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Na"	22.989218
"315724"	785.191147	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+H+Na"	23.996494
"709969"	1171.787597	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+H+Na"	23.996494
"1467071"	398.594697	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H+Na"	23.996494
"1057037"	266.065556666667	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2H+Na"	25.00377
"1263090"	806.226386	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+CH3OH+H"	33.033486
"378382"	1585.348958	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+K"	38.963158
"741567"	2358.541858	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+K"	38.963158
"1542530"	812.156058	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+K"	38.963158
"300439"	793.178117	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+H+K"	39.970434
"694683"	1179.774567	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+H+K"	39.970434
"1449231"	406.581667	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H+K"	39.970434
"238925"	1588.419626	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+ACN+H"	42.033826
"1212360"	815.226726	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+ACN+H"	42.033826
"1198799"	408.117001	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+ACN+2H"	43.041102
"193859"	1591.35696	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+2Na-H"	44.97116
"633418"	2364.54986	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+2Na-H"	44.97116
"1136201"	818.16406	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2Na-H"	44.97116
"185326"	796.182118	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+2Na"	45.978436
"619784"	1182.778568	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+2Na"	45.978436
"1120010"	409.585668	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2Na"	45.978436
"1402075"	273.392870666667	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H+2Na"	46.985712
"1433826"	820.205646	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H+HCOOH"	47.012746
"227530"	801.21514	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+3H2O+2H"	56.04448
"1519966"	834.25769	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+IsoProp+H"	61.06479
"420745"	804.169088	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+Na+K"	61.952376
"783201"	1190.765538	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+Na+K"	61.952376
"1670421"	417.572638	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Na+K"	61.952376
"254766"	1610.401568	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+ACN+Na"	64.015768
"1231845"	837.208668	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+ACN+Na"	64.015768
"1718542"	837.232193	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+NH4+HCOOH"	64.039293
"1180975"	280.720184666667	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+3Na"	68.967654
"1652692"	842.187588	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Na+HCOOH"	68.994688
"157730"	1623.30484	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+2K-H"	76.91904
"597652"	2396.49774	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+2K-H"	76.91904
"1085205"	850.11194	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2K-H"	76.91904
"142020"	812.156058	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"2M+2K"	77.926316
"588759"	1198.752508	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"3M+2K"	77.926316
"1073270"	425.559608	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2K"	77.926316
"1106480"	852.126492	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2K+H"	78.933592
"1343958"	852.214107	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+DMSO+H"	79.021207
"1016499"	856.253276	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2ACN+H"	83.060376
"1530614"	857.246908	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+IsoProp+Na+H"	84.054008
"999255"	428.630276	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+2ACN+2H"	84.067652
"1597038"	858.161528	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+K+HCOOH"	84.968628
"1420512"	888.193038	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+H+CF3COOH"	115.000138
"1159552"	449.143551	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+3ACN+2H"	125.094202
"1705822"	905.219585	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+NH4+CF3COOH"	132.026685
"1645849"	910.17498	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+Na+CF3COOH"	136.98208
"1576031"	926.14892	"C16372"	"Cyanidin 3-glucoside 5-caffeoylglucoside"	"C36H37O19"	"773.1929"	"M+K+CF3COOH"	152.95602
"809679"	711.1409	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M"	0
"976651"	692.12251	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-H2O-H"	-19.01839
"69268"	473.086657333333	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M-3H"	-3.021828
"507734"	710.133624	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M-3H"	-3.021828
"887723"	236.039690666667	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-3H"	-3.021828
"14684"	710.133624	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M-2H"	-2.014552
"452421"	1065.704074	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M-2H"	-2.014552
"825848"	354.563174	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-2H"	-2.014552
"90215"	1421.274524	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M-H"	-1.007276
"528680"	2132.415424	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M-H"	-1.007276
"903205"	710.133624	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-H"	-1.007276
"49194"	1438.301071	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M-2H+NH4"	16.019271
"489481"	2149.441971	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M-2H+NH4"	16.019271
"865337"	727.160171	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-2H+NH4"	16.019271
"33362"	1443.256466	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M-2H+Na"	20.974666
"473285"	2154.397366	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M-2H+Na"	20.974666
"850718"	732.115566	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-2H+Na"	20.974666
"1619525"	732.115566	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Na-2H"	20.974666
"101894"	728.121963	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M-H+Cl"	33.962126
"536351"	1083.692413	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M-H+Cl"	33.962126
"928521"	372.551513	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-H+Cl"	33.962126
"275714"	1457.251202	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+Cl"	34.969402
"670323"	2168.392102	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+Cl"	34.969402
"1282727"	746.110302	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Cl"	34.969402
"24194"	1459.230406	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M-2H+K"	36.948606
"462658"	2170.371306	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M-2H+K"	36.948606
"839367"	748.089506	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-2H+K"	36.948606
"1566135"	748.089506	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+K-2H"	36.948606
"950738"	756.139094	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-H+HCOOH"	44.998194
"365672"	1467.280001	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+HCOOH-H"	44.998201
"350650"	1481.295651	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+Hac-H"	59.013851
"1501669"	770.154751	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Hac-H"	59.013851
"964838"	778.121051	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-H+NaCOOH"	66.980151
"112286"	746.110302	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+2Cl"	69.938804
"551360"	1101.680752	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+2Cl"	69.938804
"1024292"	390.539852	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2Cl"	69.938804
"1243505"	790.059785	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Br"	78.918885
"1309599"	792.115772	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Cl+HCOOH"	80.974872
"1326003"	814.097729	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Cl+NaCOOH"	102.956829
"915240"	824.126486	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M-H+CF3COOH"	112.985586
"1291947"	860.103164	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Cl+CF3COOH"	148.962264
"1369016"	676.128224	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H-2H2O"	-35.012676
"1382994"	694.1382	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H-H2O"	-17.0027
"282920"	1423.289076	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+H"	1.007276
"675676"	2134.429976	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+H"	1.007276
"1354249"	712.148176	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H"	1.007276
"126160"	712.148176	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+2H"	2.014552
"567176"	1067.718626	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+2H"	2.014552
"1039868"	356.577726	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2H"	2.014552
"205216"	475.101209333333	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+3H"	3.021828
"648061"	712.148176	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+3H"	3.021828
"1166187"	238.054242666667	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+3H"	3.021828
"426175"	1440.315623	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+NH4"	18.033823
"787171"	2151.456523	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+NH4"	18.033823
"1681678"	729.174723	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+NH4"	18.033823
"330688"	720.6614495	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+H+NH4"	19.041099
"724932"	1076.2318995	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+H+NH4"	19.041099
"1479116"	365.0909995	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H+NH4"	19.041099
"392921"	1445.271018	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+Na"	22.989218
"754349"	2156.411918	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+Na"	22.989218
"1603973"	734.130118	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Na"	22.989218
"314741"	723.139147	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+H+Na"	23.996494
"708014"	1078.709597	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+H+Na"	23.996494
"1466087"	367.568697	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H+Na"	23.996494
"1054109"	245.381556666667	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2H+Na"	25.00377
"1263200"	744.174386	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+CH3OH+H"	33.033486
"377154"	1461.244958	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+K"	38.963158
"739122"	2172.385858	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+K"	38.963158
"1542640"	750.104058	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+K"	38.963158
"299576"	731.126117	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+H+K"	39.970434
"692240"	1086.696567	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+H+K"	39.970434
"1448247"	375.555667	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H+K"	39.970434
"238305"	1464.315626	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+ACN+H"	42.033826
"1212836"	753.174726	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+ACN+H"	42.033826
"1198908"	377.091001	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+ACN+2H"	43.041102
"191053"	1467.25296	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+2Na-H"	44.97116
"632798"	2178.39386	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+2Na-H"	44.97116
"1134121"	756.11206	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2Na-H"	44.97116
"179238"	734.130118	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+2Na"	45.978436
"619894"	1089.700568	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+2Na"	45.978436
"1121215"	378.559668	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2Na"	45.978436
"1400484"	252.708870666667	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H+2Na"	46.985712
"1432843"	758.153646	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H+HCOOH"	47.012746
"225453"	739.16314	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+3H2O+2H"	56.04448
"1516796"	772.20569	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+IsoProp+H"	61.06479
"422557"	742.117088	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+Na+K"	61.952376
"781850"	1097.687538	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+Na+K"	61.952376
"1667979"	386.546638	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Na+K"	61.952376
"254147"	1486.297568	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+ACN+Na"	64.015768
"1227584"	775.156668	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+ACN+Na"	64.015768
"1714648"	775.180193	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+NH4+HCOOH"	64.039293
"1180115"	260.036184666667	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+3Na"	68.967654
"1651707"	780.135588	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Na+HCOOH"	68.994688
"158448"	1499.20084	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+2K-H"	76.91904
"597400"	2210.34174	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+2K-H"	76.91904
"1087017"	788.05994	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2K-H"	76.91904
"141763"	750.104058	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"2M+2K"	77.926316
"585226"	1105.674508	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"3M+2K"	77.926316
"1073385"	394.533608	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2K"	77.926316
"1104405"	790.074492	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2K+H"	78.933592
"1340791"	790.162107	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+DMSO+H"	79.021207
"1011507"	794.201276	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2ACN+H"	83.060376
"1527443"	795.194908	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+IsoProp+Na+H"	84.054008
"998272"	397.604276	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+2ACN+2H"	84.067652
"1596055"	796.109528	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+K+HCOOH"	84.968628
"1421715"	826.141038	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+H+CF3COOH"	115.000138
"1161849"	418.117551	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+3ACN+2H"	125.094202
"1705932"	843.167585	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+NH4+CF3COOH"	132.026685
"1647052"	848.12298	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+Na+CF3COOH"	136.98208
"1579421"	864.09692	"C16373"	"Cyanidin-3-O-(6-O-malonyl-2-O-glucuronyl)glucoside"	"C30H31O20"	"711.1409"	"M+K+CF3COOH"	152.95602
"809789"	1103.3605	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M"	0
"974937"	1084.34211	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-H2O-H"	-19.01839
"67191"	734.566390666667	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M-3H"	-3.021828
"507841"	1102.353224	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M-3H"	-3.021828
"884552"	366.779557333333	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-3H"	-3.021828
"8598"	1102.353224	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M-2H"	-2.014552
"445969"	1654.033474	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M-2H"	-2.014552
"823771"	550.672974	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-2H"	-2.014552
"90326"	2205.713724	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M-H"	-1.007276
"527697"	3309.074224	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M-H"	-1.007276
"901128"	1102.353224	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-H"	-1.007276
"51129"	2222.740271	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M-2H+NH4"	16.019271
"491415"	3326.100771	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M-2H+NH4"	16.019271
"866666"	1119.379771	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-2H+NH4"	16.019271
"33106"	2227.695666	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M-2H+Na"	20.974666
"472299"	3331.056166	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M-2H+Na"	20.974666
"849373"	1124.335166	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-2H+Na"	20.974666
"1618952"	1124.335166	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Na-2H"	20.974666
"105286"	1120.341563	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M-H+Cl"	33.962126
"542658"	1672.021813	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M-H+Cl"	33.962126
"929611"	568.661313	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-H+Cl"	33.962126
"275824"	2241.690402	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+Cl"	34.969402
"670433"	3345.050902	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+Cl"	34.969402
"1282837"	1138.329902	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Cl"	34.969402
"25393"	2243.669606	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M-2H+K"	36.948606
"463864"	3347.030106	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M-2H+K"	36.948606
"838387"	1140.309106	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-2H+K"	36.948606
"1560782"	1140.309106	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+K-2H"	36.948606
"953033"	1148.358694	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-H+HCOOH"	44.998194
"363596"	2251.719201	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+HCOOH-H"	44.998201
"354040"	2265.734851	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+Hac-H"	59.013851
"1499593"	1162.374351	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Hac-H"	59.013851
"963855"	1170.340651	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-H+NaCOOH"	66.980151
"111303"	1138.329902	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+2Cl"	69.938804
"550864"	1690.010152	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+2Cl"	69.938804
"1022215"	586.649652	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2Cl"	69.938804
"1242886"	1182.279385	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Br"	78.918885
"1305334"	1184.335372	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Cl+HCOOH"	80.974872
"1323924"	1206.317329	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Cl+NaCOOH"	102.956829
"919356"	1216.346086	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M-H+CF3COOH"	112.985586
"1291327"	1252.322764	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Cl+CF3COOH"	148.962264
"1368761"	1068.347824	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H-2H2O"	-35.012676
"1385172"	1086.3578	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H-H2O"	-17.0027
"283073"	2207.728276	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+H"	1.007276
"675707"	3311.088776	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+H"	1.007276
"1351436"	1104.367776	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H"	1.007276
"126228"	1104.367776	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+2H"	2.014552
"567894"	1656.048026	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+2H"	2.014552
"1038886"	552.687526	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2H"	2.014552
"205325"	736.580942666667	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+3H"	3.021828
"644885"	1104.367776	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+3H"	3.021828
"1165928"	368.794109333333	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+3H"	3.021828
"427741"	2224.754823	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+NH4"	18.033823
"786189"	3328.115323	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+NH4"	18.033823
"1682518"	1121.394323	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+NH4"	18.033823
"330675"	1112.8810495	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+H+NH4"	19.041099
"725041"	1664.5612995	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+H+NH4"	19.041099
"1478135"	561.2007995	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H+NH4"	19.041099
"392925"	2229.710218	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+Na"	22.989218
"755254"	3333.070718	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+Na"	22.989218
"1604446"	1126.349718	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Na"	22.989218
"314850"	1115.358747	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+H+Na"	23.996494
"708003"	1667.038997	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+H+Na"	23.996494
"1466197"	563.678497	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H+Na"	23.996494
"1054098"	376.121423333333	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2H+Na"	25.00377
"1258937"	1136.393986	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+CH3OH+H"	33.033486
"377590"	2245.684158	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+K"	38.963158
"738788"	3349.044658	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+K"	38.963158
"1542750"	1142.323658	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+K"	38.963158
"300415"	1123.345717	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+H+K"	39.970434
"692349"	1675.025967	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+H+K"	39.970434
"1446210"	571.665467	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H+K"	39.970434
"238050"	2248.754826	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+ACN+H"	42.033826
"1212945"	1145.394326	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+ACN+H"	42.033826
"1197925"	573.200801	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+ACN+2H"	43.041102
"190799"	2251.69216	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+2Na-H"	44.97116
"631815"	3355.05266	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+2Na-H"	44.97116
"1134960"	1148.33166	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2Na-H"	44.97116
"179348"	1126.349718	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+2Na"	45.978436
"618908"	1678.029968	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+2Na"	45.978436
"1120232"	574.669468	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2Na"	45.978436
"1400107"	383.448737333333	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H+2Na"	46.985712
"1432587"	1150.373246	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H+HCOOH"	47.012746
"225563"	1131.38274	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+3H2O+2H"	56.04448
"1515812"	1164.42529	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+IsoProp+H"	61.06479
"422790"	1134.336688	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+Na+K"	61.952376
"781959"	1686.016938	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+Na+K"	61.952376
"1667359"	582.656438	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Na+K"	61.952376
"252067"	2270.736768	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+ACN+Na"	64.015768
"1226966"	1167.376268	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+ACN+Na"	64.015768
"1713906"	1167.399793	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+NH4+HCOOH"	64.039293
"1180106"	390.776051333333	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+3Na"	68.967654
"1652184"	1172.355188	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+Na+HCOOH"	68.994688
"157586"	2283.64004	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+2K-H"	76.91904
"597510"	3387.00054	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+2K-H"	76.91904
"1085304"	1180.27954	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2K-H"	76.91904
"143702"	1142.323658	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"2M+2K"	77.926316
"587886"	1694.003908	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"3M+2K"	77.926316
"1072766"	590.643408	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2K"	77.926316
"1105608"	1182.294092	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2K+H"	78.933592
"1343090"	1182.381707	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+DMSO+H"	79.021207
"1009795"	1186.420876	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2ACN+H"	83.060376
"1528648"	1187.414508	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+IsoProp+Na+H"	84.054008
"1003851"	593.714076	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+2ACN+2H"	84.067652
"1598353"	1188.329128	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+K+HCOOH"	84.968628
"1421826"	1218.360638	"C16374"	"(2E6Z9Z12Z15Z18Z21Z)-Tetracosahepta-26912151821-enoyl-CoA"	"C45H68N7O17P3S"	"1103.3605"	"M+H+CF3COOH"	115.000138
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"1431966"	1168.383846	"C16375"	"(6Z9Z12Z15Z18Z21Z)-3-Hydroxytetracosahexa-6912151821-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+HCOOH"	47.012746
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"780978"	1713.032838	"C16375"	"(6Z9Z12Z15Z18Z21Z)-3-Hydroxytetracosahexa-6912151821-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+Na+K"	61.952376
"1668562"	591.661738	"C16375"	"(6Z9Z12Z15Z18Z21Z)-3-Hydroxytetracosahexa-6912151821-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Na+K"	61.952376
"251604"	2306.757968	"C16375"	"(6Z9Z12Z15Z18Z21Z)-3-Hydroxytetracosahexa-6912151821-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+ACN+Na"	64.015768
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"157492"	2319.66124	"C16375"	"(6Z9Z12Z15Z18Z21Z)-3-Hydroxytetracosahexa-6912151821-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+2K-H"	76.91904
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"1105718"	1200.304692	"C16375"	"(6Z9Z12Z15Z18Z21Z)-3-Hydroxytetracosahexa-6912151821-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2K+H"	78.933592
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"1421936"	1236.371238	"C16375"	"(6Z9Z12Z15Z18Z21Z)-3-Hydroxytetracosahexa-6912151821-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+CF3COOH"	115.000138
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"810009"	1119.3554	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M"	0
"975522"	1100.33701	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M-H2O-H"	-19.01839
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"1619859"	1140.330066	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+Na-2H"	20.974666
"109155"	1136.336463	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M-H+Cl"	33.962126
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"934206"	576.658763	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M-H+Cl"	33.962126
"276044"	2273.680202	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+Cl"	34.969402
"668466"	3393.035602	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+Cl"	34.969402
"1284881"	1154.324802	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+Cl"	34.969402
"25614"	2275.659406	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M-2H+K"	36.948606
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"845168"	1156.304006	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M-2H+K"	36.948606
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"1502000"	1178.369251	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+Hac-H"	59.013851
"966263"	1186.335551	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M-H+NaCOOH"	66.980151
"111161"	1154.324802	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+2Cl"	69.938804
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"724900"	1688.5536495	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+H+NH4"	19.041099
"1478108"	569.1982495	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+H+NH4"	19.041099
"393305"	2261.700018	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+Na"	22.989218
"755473"	3381.055418	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+Na"	22.989218
"1604301"	1142.344618	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+Na"	22.989218
"316528"	1131.353647	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+H+Na"	23.996494
"713690"	1691.031347	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+H+Na"	23.996494
"1469698"	571.675947	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+H+Na"	23.996494
"1060757"	381.453056666667	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2H+Na"	25.00377
"1262438"	1152.388886	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+CH3OH+H"	33.033486
"381009"	2277.673958	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+K"	38.963158
"739821"	3397.029358	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+K"	38.963158
"1540782"	1158.318558	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+K"	38.963158
"300510"	1139.340617	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+H+K"	39.970434
"692568"	1699.018317	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+H+K"	39.970434
"1449671"	579.662917	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+H+K"	39.970434
"239367"	2280.744626	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+ACN+H"	42.033826
"1214261"	1161.389226	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+ACN+H"	42.033826
"1199238"	581.198251	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+ACN+2H"	43.041102
"192476"	2283.68196	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+2Na-H"	44.97116
"633859"	3403.03736	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+2Na-H"	44.97116
"1135180"	1164.32656	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2Na-H"	44.97116
"175917"	1142.344618	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+2Na"	45.978436
"617306"	1702.022318	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+2Na"	45.978436
"1121545"	582.666918	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2Na"	45.978436
"1401788"	388.780370666667	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+H+2Na"	46.985712
"1432810"	1166.368146	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+H+HCOOH"	47.012746
"226878"	1147.37764	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+3H2O+2H"	56.04448
"1514938"	1180.42019	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+IsoProp+H"	61.06479
"417906"	1150.331588	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+Na+K"	61.952376
"782181"	1710.009288	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+Na+K"	61.952376
"1667582"	590.653888	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+Na+K"	61.952376
"251877"	2302.726568	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+ACN+Na"	64.015768
"1225969"	1183.371168	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+ACN+Na"	64.015768
"1714977"	1183.394693	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+NH4+HCOOH"	64.039293
"1179959"	396.107684666667	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+3Na"	68.967654
"1650051"	1188.350088	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+Na+HCOOH"	68.994688
"157264"	2315.62984	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+2K-H"	76.91904
"597099"	3434.98524	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+2K-H"	76.91904
"1085160"	1196.27444	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2K-H"	76.91904
"142465"	1158.318558	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"2M+2K"	77.926316
"587013"	1717.996258	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"3M+2K"	77.926316
"1074808"	598.640858	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2K"	77.926316
"1106925"	1198.288992	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2K+H"	78.933592
"1341121"	1198.376607	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+DMSO+H"	79.021207
"1010745"	1202.415776	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2ACN+H"	83.060376
"1527777"	1203.409408	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+IsoProp+Na+H"	84.054008
"1003950"	601.711526	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+2ACN+2H"	84.067652
"1600762"	1204.324028	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+K+HCOOH"	84.968628
"1423139"	1234.355538	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+H+CF3COOH"	115.000138
"1158899"	622.224801	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+3ACN+2H"	125.094202
"1711610"	1251.382085	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+NH4+CF3COOH"	132.026685
"1648112"	1256.33748	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+Na+CF3COOH"	136.98208
"1579752"	1272.31142	"C16376"	"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA"	"C45H68N7O18P3S"	"1119.3554"	"M+K+CF3COOH"	152.95602
"810121"	162.1157	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M"	0
"988757"	143.09731	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-H2O-H"	-19.01839
"77366"	107.069857333333	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M-3H"	-3.021828
"516925"	161.108424	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M-3H"	-3.021828
"893269"	53.0312906666667	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-3H"	-3.021828
"15126"	161.108424	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H"	-2.014552
"453712"	242.166274	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H"	-2.014552
"829571"	80.050574	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-2H"	-2.014552
"88467"	323.224124	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M-H"	-1.007276
"531188"	485.339824	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M-H"	-1.007276
"906926"	161.108424	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-H"	-1.007276
"59114"	340.250671	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H+NH4"	16.019271
"497579"	502.366371	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H+NH4"	16.019271
"872099"	178.134971	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-2H+NH4"	16.019271
"42186"	345.206066	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H+Na"	20.974666
"474089"	507.321766	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H+Na"	20.974666
"851160"	183.090366	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-2H+Na"	20.974666
"1621060"	183.090366	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Na-2H"	20.974666
"109630"	179.096763	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M-H+Cl"	33.962126
"548580"	260.154613	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M-H+Cl"	33.962126
"934316"	98.038913	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-H+Cl"	33.962126
"272874"	359.200802	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+Cl"	34.969402
"668576"	521.316502	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+Cl"	34.969402
"1280981"	197.085102	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl"	34.969402
"22443"	361.180006	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M-2H+K"	36.948606
"468569"	523.295706	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M-2H+K"	36.948606
"846371"	199.064306	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-2H+K"	36.948606
"1564394"	199.064306	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+K-2H"	36.948606
"953366"	207.113894	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-H+HCOOH"	44.998194
"367207"	369.229601	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+HCOOH-H"	44.998201
"353279"	383.245251	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+Hac-H"	59.013851
"1502112"	221.129551	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Hac-H"	59.013851
"966373"	229.095851	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-H+NaCOOH"	66.980151
"113455"	197.085102	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+2Cl"	69.938804
"554111"	278.142952	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+2Cl"	69.938804
"1023640"	116.027252	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2Cl"	69.938804
"1245770"	241.034585	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Br"	78.918885
"1307124"	243.090572	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl+HCOOH"	80.974872
"1320248"	265.072529	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl+NaCOOH"	102.956829
"911673"	275.101286	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M-H+CF3COOH"	112.985586
"1289104"	311.077964	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Cl+CF3COOH"	148.962264
"1367311"	127.103024	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H-2H2O"	-35.012676
"1385865"	145.113	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H-H2O"	-17.0027
"285189"	325.238676	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+H"	1.007276
"677977"	487.354376	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+H"	1.007276
"1352500"	163.122976	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H"	1.007276
"125875"	163.122976	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+2H"	2.014552
"566409"	244.180826	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+2H"	2.014552
"1042864"	82.065126	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2H"	2.014552
"206752"	109.084409333333	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+3H"	3.021828
"648134"	163.122976	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+3H"	3.021828
"1167352"	55.0458426666667	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+3H"	3.021828
"429532"	342.265223	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+NH4"	18.033823
"789799"	504.380923	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+NH4"	18.033823
"1683944"	180.149523	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+NH4"	18.033823
"331128"	171.6362495	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+H+NH4"	19.041099
"723551"	252.6940995	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+H+NH4"	19.041099
"1477086"	90.5783995	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H+NH4"	19.041099
"392886"	347.220618	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+Na"	22.989218
"754382"	509.336318	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+Na"	22.989218
"1603442"	185.104918	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Na"	22.989218
"315303"	174.113947	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+H+Na"	23.996494
"709427"	255.171797	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+H+Na"	23.996494
"1468716"	93.056097	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H+Na"	23.996494
"1054429"	62.3731566666667	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2H+Na"	25.00377
"1262548"	195.149186	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+CH3OH+H"	33.033486
"380027"	363.194558	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+K"	38.963158
"740297"	525.310258	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+K"	38.963158
"1542351"	201.078858	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+K"	38.963158
"299526"	182.100917	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+H+K"	39.970434
"691949"	263.158767	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+H+K"	39.970434
"1447228"	101.043067	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H+K"	39.970434
"238748"	366.265226	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+ACN+H"	42.033826
"1213644"	204.149526	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+ACN+H"	42.033826
"1196433"	102.578401	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+ACN+2H"	43.041102
"190034"	369.20256	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+2Na-H"	44.97116
"632876"	531.31826	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+2Na-H"	44.97116
"1133104"	207.08686	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2Na-H"	44.97116
"176759"	185.104918	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+2Na"	45.978436
"623612"	266.162768	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+2Na"	45.978436
"1121655"	104.047068	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2Na"	45.978436
"1405178"	69.7004706666667	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H+2Na"	46.985712
"1434013"	209.128446	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H+HCOOH"	47.012746
"229175"	190.13794	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+3H2O+2H"	56.04448
"1517236"	223.18049	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+IsoProp+H"	61.06479
"419111"	193.091888	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+Na+K"	61.952376
"781199"	274.149738	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+Na+K"	61.952376
"1669878"	112.034038	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Na+K"	61.952376
"255317"	388.247168	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+ACN+Na"	64.015768
"1230212"	226.131468	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+ACN+Na"	64.015768
"1718003"	226.154993	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+NH4+HCOOH"	64.039293
"1182628"	77.0277846666667	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+3Na"	68.967654
"1650696"	231.110388	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Na+HCOOH"	68.994688
"157919"	401.15044	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+2K-H"	76.91904
"597844"	563.26614	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+2K-H"	76.91904
"1085634"	239.03474	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2K-H"	76.91904
"142089"	201.078858	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"2M+2K"	77.926316
"594782"	282.136708	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"3M+2K"	77.926316
"1079296"	120.021008	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2K"	77.926316
"1110315"	241.049292	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2K+H"	78.933592
"1345610"	241.136907	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+DMSO+H"	79.021207
"1010856"	245.176076	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2ACN+H"	83.060376
"1535543"	246.169708	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+IsoProp+Na+H"	84.054008
"1004184"	123.091676	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+2ACN+2H"	84.067652
"1599781"	247.084328	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+K+HCOOH"	84.968628
"1427627"	277.115838	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+H+CF3COOH"	115.000138
"1153541"	143.604951	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+3ACN+2H"	125.094202
"1709653"	294.142385	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+NH4+CF3COOH"	132.026685
"1649317"	299.09778	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+Na+CF3COOH"	136.98208
"1579862"	315.07172	"C16386"	"(R)-Nicotine;D-Nicotine;2-beta-H-Nicotine"	"C10H14N2"	"162.1157"	"M+K+CF3COOH"	152.95602
"810229"	1105.3762	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M"	0
"976105"	1086.35781	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H2O-H"	-19.01839
"73099"	735.910190666667	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-3H"	-3.021828
"505003"	1104.368924	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-3H"	-3.021828
"889369"	367.451457333333	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-3H"	-3.021828
"10131"	1104.368924	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H"	-2.014552
"446409"	1657.057024	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H"	-2.014552
"830774"	551.680824	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H"	-2.014552
"87484"	2209.745124	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-H"	-1.007276
"531419"	3315.121324	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-H"	-1.007276
"908130"	1104.368924	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H"	-1.007276
"59223"	2226.771671	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H+NH4"	16.019271
"497688"	3332.147871	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H+NH4"	16.019271
"874397"	1121.395471	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H+NH4"	16.019271
"44121"	2231.727066	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H+Na"	20.974666
"477481"	3337.103266	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H+Na"	20.974666
"851272"	1126.350866	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H+Na"	20.974666
"1621174"	1126.350866	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na-2H"	20.974666
"105726"	1122.357263	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-H+Cl"	33.962126
"540912"	1675.045363	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-H+Cl"	33.962126
"933332"	569.669163	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+Cl"	33.962126
"272984"	2245.721802	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Cl"	34.969402
"668686"	3351.098002	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+Cl"	34.969402
"1283278"	1140.345602	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl"	34.969402
"23647"	2247.701006	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M-2H+K"	36.948606
"471068"	3353.077206	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M-2H+K"	36.948606
"838823"	1142.324806	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-2H+K"	36.948606
"1567786"	1142.324806	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K-2H"	36.948606
"951293"	1150.374394	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+HCOOH"	44.998194
"370596"	2255.750601	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+HCOOH-H"	44.998201
"355578"	2269.766251	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Hac-H"	59.013851
"1500035"	1164.390051	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Hac-H"	59.013851
"967577"	1172.356351	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+NaCOOH"	66.980151
"114297"	1140.345602	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2Cl"	69.938804
"552762"	1693.033702	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2Cl"	69.938804
"1023504"	587.657502	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2Cl"	69.938804
"1245515"	1184.295085	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Br"	78.918885
"1307963"	1186.351072	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl+HCOOH"	80.974872
"1321811"	1208.333029	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl+NaCOOH"	102.956829
"915426"	1218.361786	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M-H+CF3COOH"	112.985586
"1290314"	1254.338464	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Cl+CF3COOH"	148.962264
"1369203"	1070.363524	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H-2H2O"	-35.012676
"1384518"	1088.3735	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H-H2O"	-17.0027
"285302"	2211.759676	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H"	1.007276
"676991"	3317.135876	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H"	1.007276
"1354437"	1106.383476	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H"	1.007276
"126713"	1106.383476	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2H"	2.014552
"567613"	1659.071576	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2H"	2.014552
"1040787"	553.695376	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2H"	2.014552
"209050"	737.924742666667	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+3H"	3.021828
"648244"	1106.383476	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+3H"	3.021828
"1167829"	369.466009333333	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+3H"	3.021828
"428916"	2228.786223	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+NH4"	18.033823
"789912"	3334.162423	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+NH4"	18.033823
"1684788"	1123.410023	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+NH4"	18.033823
"332700"	1114.8967495	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H+NH4"	19.041099
"724633"	1667.5848495	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H+NH4"	19.041099
"1477605"	562.2086495	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+NH4"	19.041099
"393322"	2233.741618	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Na"	22.989218
"754437"	3339.117818	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+Na"	22.989218
"1604890"	1128.365418	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na"	22.989218
"315171"	1117.374447	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H+Na"	23.996494
"711724"	1670.062547	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H+Na"	23.996494
"1469918"	564.686347	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+Na"	23.996494
"1060978"	376.793323333333	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2H+Na"	25.00377
"1265939"	1138.409686	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+CH3OH+H"	33.033486
"383418"	2249.715558	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+K"	38.963158
"744416"	3355.091758	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+K"	38.963158
"1541731"	1144.339358	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K"	38.963158
"301095"	1125.361417	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+H+K"	39.970434
"694975"	1678.049517	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+H+K"	39.970434
"1452075"	572.673317	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+K"	39.970434
"238857"	2252.786226	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+ACN+H"	42.033826
"1214845"	1147.410026	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+ACN+H"	42.033826
"1198365"	574.208651	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+ACN+2H"	43.041102
"192331"	2255.72356	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2Na-H"	44.97116
"635174"	3361.09976	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2Na-H"	44.97116
"1136495"	1150.34736	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2Na-H"	44.97116
"179787"	1128.365418	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2Na"	45.978436
"625545"	1681.053518	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2Na"	45.978436
"1122859"	575.677318	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2Na"	45.978436
"1404195"	384.120637333333	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+2Na"	46.985712
"1439590"	1152.388946	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+HCOOH"	47.012746
"228193"	1133.39844	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+3H2O+2H"	56.04448
"1520627"	1166.44099	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+IsoProp+H"	61.06479
"418128"	1136.352388	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+Na+K"	61.952376
"782403"	1689.040488	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+Na+K"	61.952376
"1673269"	583.664288	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na+K"	61.952376
"254332"	2274.768168	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+ACN+Na"	64.015768
"1229227"	1169.391968	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+ACN+Na"	64.015768
"1718112"	1169.415493	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+NH4+HCOOH"	64.039293
"1181643"	391.447951333333	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+3Na"	68.967654
"1652261"	1174.370888	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na+HCOOH"	68.994688
"158392"	2287.67144	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2K-H"	76.91904
"599773"	3393.04764	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2K-H"	76.91904
"1085500"	1182.29524	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2K-H"	76.91904
"144385"	1144.339358	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"2M+2K"	77.926316
"589425"	1697.027458	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"3M+2K"	77.926316
"1076125"	591.651258	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2K"	77.926316
"1107144"	1184.309792	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2K+H"	78.933592
"1342437"	1184.397407	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+DMSO+H"	79.021207
"1008774"	1188.436576	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2ACN+H"	83.060376
"1530185"	1189.430208	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+IsoProp+Na+H"	84.054008
"1003200"	594.721926	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+2ACN+2H"	84.067652
"1600983"	1190.344828	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K+HCOOH"	84.968628
"1425550"	1220.376338	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+H+CF3COOH"	115.000138
"1154744"	615.235201	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+3ACN+2H"	125.094202
"1709763"	1237.402885	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+NH4+CF3COOH"	132.026685
"1649428"	1242.35828	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+Na+CF3COOH"	136.98208
"1579972"	1258.33222	"C16387"	"(2E6Z9Z12Z15Z18Z)-Tetracosahexa-269121518-enoyl-CoA"	"C45H70N7O17P3S"	"1105.3762"	"M+K+CF3COOH"	152.95602
"807058"	1123.3867	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M"	0
"976580"	1104.36831	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-H2O-H"	-19.01839
"69928"	747.917190666667	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M-3H"	-3.021828
"507300"	1122.379424	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M-3H"	-3.021828
"890573"	373.454957333333	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-3H"	-3.021828
"12428"	1122.379424	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M-2H"	-2.014552
"448706"	1684.072774	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M-2H"	-2.014552
"829791"	560.686074	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-2H"	-2.014552
"88687"	2245.766124	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M-H"	-1.007276
"530436"	3369.152824	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M-H"	-1.007276
"908239"	1122.379424	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-H"	-1.007276
"58240"	2262.792671	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M-2H+NH4"	16.019271
"497797"	3386.179371	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M-2H+NH4"	16.019271
"874507"	1139.405971	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-2H+NH4"	16.019271
"41315"	2267.748066	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M-2H+Na"	20.974666
"478685"	3391.134766	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M-2H+Na"	20.974666
"854300"	1144.361366	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-2H+Na"	20.974666
"1620916"	1144.361366	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Na-2H"	20.974666
"99275"	1140.367763	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M-H+Cl"	33.962126
"541022"	1702.061113	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M-H+Cl"	33.962126
"930889"	578.674413	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-H+Cl"	33.962126
"273094"	2281.742802	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+Cl"	34.969402
"661501"	3405.129502	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+Cl"	34.969402
"1276826"	1158.356102	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Cl"	34.969402
"18652"	2283.722006	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M-2H+K"	36.948606
"466599"	3407.108706	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M-2H+K"	36.948606
"837110"	1160.335306	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-2H+K"	36.948606
"1565702"	1160.335306	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+K-2H"	36.948606
"947022"	1168.384894	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-H+HCOOH"	44.998194
"368519"	2291.771601	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+HCOOH-H"	44.998201
"350585"	2305.787251	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+Hac-H"	59.013851
"1495037"	1182.400551	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Hac-H"	59.013851
"960391"	1190.366851	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-H+NaCOOH"	66.980151
"111853"	1158.356102	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+2Cl"	69.938804
"550313"	1720.049452	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+2Cl"	69.938804
"1023858"	596.662752	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+2Cl"	69.938804
"1241610"	1202.305585	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Br"	78.918885
"1304303"	1204.361572	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Cl+HCOOH"	80.974872
"1321190"	1226.343529	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Cl+NaCOOH"	102.956829
"912742"	1236.372286	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M-H+CF3COOH"	112.985586
"1289449"	1272.348964	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Cl+CF3COOH"	148.962264
"1368219"	1088.374024	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H-2H2O"	-35.012676
"1385357"	1106.384	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H-H2O"	-17.0027
"284070"	2247.780676	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+H"	1.007276
"677466"	3371.167376	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+H"	1.007276
"1355640"	1124.393976	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H"	1.007276
"127066"	1124.393976	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+2H"	2.014552
"567842"	1686.087326	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+2H"	2.014552
"1040532"	562.700626	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+2H"	2.014552
"207338"	749.931742666667	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+3H"	3.021828
"647990"	1124.393976	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+3H"	3.021828
"1169762"	375.469509333333	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+3H"	3.021828
"427932"	2264.807223	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+NH4"	18.033823
"788200"	3388.193923	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+NH4"	18.033823
"1682831"	1141.420523	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+NH4"	18.033823
"330866"	1132.9072495	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+H+NH4"	19.041099
"722917"	1694.6005995	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+H+NH4"	19.041099
"1477094"	571.2138995	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H+NH4"	19.041099
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"754369"	3393.149318	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+Na"	22.989218
"1605121"	1146.375918	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Na"	22.989218
"314670"	1135.384947	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+H+Na"	23.996494
"710740"	1697.078297	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+H+Na"	23.996494
"1467841"	573.691597	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H+Na"	23.996494
"1059995"	382.796823333333	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+2H+Na"	25.00377
"1258028"	1156.420186	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+CH3OH+H"	33.033486
"381343"	2285.736558	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+K"	38.963158
"741245"	3409.123258	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+K"	38.963158
"1541475"	1162.349858	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+K"	38.963158
"301569"	1143.371917	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+H+K"	39.970434
"694358"	1705.065267	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+H+K"	39.970434
"1448542"	581.678567	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H+K"	39.970434
"238603"	2288.807226	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+ACN+H"	42.033826
"1212768"	1165.420526	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+ACN+H"	42.033826
"1195559"	583.213901	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+ACN+2H"	43.041102
"191347"	2291.74456	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+2Na-H"	44.97116
"632730"	3415.13126	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+2Na-H"	44.97116
"1135145"	1168.35786	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+2Na-H"	44.97116
"176614"	1146.375918	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+2Na"	45.978436
"620551"	1708.069268	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+2Na"	45.978436
"1120782"	584.682568	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+2Na"	45.978436
"1403210"	390.124137333333	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H+2Na"	46.985712
"1437513"	1170.399446	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+H+HCOOH"	47.012746
"231582"	1151.40894	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+3H2O+2H"	56.04448
"1522561"	1184.45149	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+IsoProp+H"	61.06479
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"783243"	1716.056238	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+Na+K"	61.952376
"1674475"	592.669538	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Na+K"	61.952376
"254442"	2310.789168	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+ACN+Na"	64.015768
"1228608"	1187.402468	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+ACN+Na"	64.015768
"1718222"	1187.425993	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+NH4+HCOOH"	64.039293
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"1653464"	1192.381388	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Na+HCOOH"	68.994688
"158258"	2323.69244	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"2M+2K-H"	76.91904
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"588441"	1724.043208	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"3M+2K"	77.926316
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"1649536"	1260.36878	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+Na+CF3COOH"	136.98208
"1580082"	1276.34272	"C16388"	"(6Z9Z12Z15Z18Z)-3-Hydroxytetracosapenta-69121518-enoyl-CoA"	"C45H72N7O18P3S"	"1123.3867"	"M+K+CF3COOH"	152.95602
"813731"	1121.3711	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M"	0
"980701"	1102.35271	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-H2O-H"	-19.01839
"73319"	746.573457333333	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M-3H"	-3.021828
"508504"	1120.363824	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M-3H"	-3.021828
"891412"	372.783090666667	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-3H"	-3.021828
"8163"	1120.363824	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M-2H"	-2.014552
"445536"	1681.049374	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M-2H"	-2.014552
"828808"	559.678274	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-2H"	-2.014552
"87704"	2241.734924	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M-H"	-1.007276
"532612"	3363.106024	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M-H"	-1.007276
"907986"	1120.363824	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-H"	-1.007276
"61268"	2258.761471	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M-2H+NH4"	16.019271
"497907"	3380.132571	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M-2H+NH4"	16.019271
"875710"	1137.390371	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-2H+NH4"	16.019271
"43611"	2263.716866	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M-2H+Na"	20.974666
"482076"	3385.087966	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M-2H+Na"	20.974666
"853316"	1142.345766	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-2H+Na"	20.974666
"1618922"	1142.345766	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Na-2H"	20.974666
"99385"	1138.352163	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M-H+Cl"	33.962126
"541132"	1699.037713	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M-H+Cl"	33.962126
"931365"	577.666613	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-H+Cl"	33.962126
"273204"	2277.711602	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+Cl"	34.969402
"660885"	3399.082702	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+Cl"	34.969402
"1276936"	1156.340502	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Cl"	34.969402
"17305"	2279.690806	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M-2H+K"	36.948606
"465616"	3401.061906	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M-2H+K"	36.948606
"839042"	1158.319706	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-2H+K"	36.948606
"1565812"	1158.319706	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+K-2H"	36.948606
"947132"	1166.369294	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-H+HCOOH"	44.998194
"371908"	2287.740401	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+HCOOH-H"	44.998201
"350695"	2301.756051	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+Hac-H"	59.013851
"1495511"	1180.384951	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Hac-H"	59.013851
"961594"	1188.351251	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-H+NaCOOH"	66.980151
"113422"	1156.340502	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+2Cl"	69.938804
"550306"	1717.026052	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+2Cl"	69.938804
"1025064"	595.654952	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2Cl"	69.938804
"1245736"	1200.289985	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Br"	78.918885
"1304662"	1202.345972	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Cl+HCOOH"	80.974872
"1322767"	1224.327929	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Cl+NaCOOH"	102.956829
"911407"	1234.356686	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M-H+CF3COOH"	112.985586
"1295636"	1270.333364	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Cl+CF3COOH"	148.962264
"1368693"	1086.358424	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H-2H2O"	-35.012676
"1385097"	1104.3684	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H-H2O"	-17.0027
"283444"	2243.749476	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+H"	1.007276
"675746"	3365.120576	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+H"	1.007276
"1359762"	1122.378376	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H"	1.007276
"128640"	1122.378376	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+2H"	2.014552
"566375"	1683.063926	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+2H"	2.014552
"1040276"	561.692826	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2H"	2.014552
"205748"	748.588009333333	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+3H"	3.021828
"646278"	1122.378376	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+3H"	3.021828
"1167685"	374.797642666667	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+3H"	3.021828
"427678"	2260.776023	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+NH4"	18.033823
"787582"	3382.147123	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+NH4"	18.033823
"1681726"	1139.404923	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+NH4"	18.033823
"330128"	1130.8916495	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+H+NH4"	19.041099
"723028"	1691.5771995	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+H+NH4"	19.041099
"1477128"	570.2060995	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+NH4"	19.041099
"393026"	2265.731418	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+Na"	22.989218
"754945"	3387.102518	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+Na"	22.989218
"1605112"	1144.360318	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Na"	22.989218
"315023"	1133.369347	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+H+Na"	23.996494
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"1466859"	572.683797	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+Na"	23.996494
"1060105"	382.124956666667	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2H+Na"	25.00377
"1257205"	1154.404586	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+CH3OH+H"	33.033486
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"1540370"	1160.334258	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+K"	38.963158
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"694102"	1702.041867	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+H+K"	39.970434
"1449016"	580.670767	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+K"	39.970434
"238713"	2284.776026	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+ACN+H"	42.033826
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"1124172"	583.674768	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2Na"	45.978436
"1405143"	389.452270666667	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+2Na"	46.985712
"1439446"	1168.383846	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+HCOOH"	47.012746
"231329"	1149.39334	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+3H2O+2H"	56.04448
"1519391"	1182.43589	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+IsoProp+H"	61.06479
"421995"	1152.347288	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+Na+K"	61.952376
"781896"	1713.032838	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+Na+K"	61.952376
"1677134"	591.661738	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Na+K"	61.952376
"256739"	2306.757968	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+ACN+Na"	64.015768
"1234914"	1185.386868	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+ACN+Na"	64.015768
"1720519"	1185.410393	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+NH4+HCOOH"	64.039293
"1184779"	396.779584666667	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+3Na"	68.967654
"1653575"	1190.365788	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Na+HCOOH"	68.994688
"158976"	2319.66124	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+2K-H"	76.91904
"600723"	3441.03234	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+2K-H"	76.91904
"1086329"	1198.29014	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2K-H"	76.91904
"145334"	1160.334258	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"2M+2K"	77.926316
"592925"	1721.019808	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"3M+2K"	77.926316
"1077439"	599.648708	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2K"	77.926316
"1110645"	1200.304692	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2K+H"	78.933592
"1343750"	1200.392307	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+DMSO+H"	79.021207
"1009723"	1204.431476	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2ACN+H"	83.060376
"1528216"	1205.425108	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+IsoProp+Na+H"	84.054008
"1004150"	602.719376	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+2ACN+2H"	84.067652
"1600110"	1206.339728	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+K+HCOOH"	84.968628
"1429658"	1236.371238	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+H+CF3COOH"	115.000138
"1159339"	623.232651	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+3ACN+2H"	125.094202
"1707796"	1253.397785	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+NH4+CF3COOH"	132.026685
"1647825"	1258.35318	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+Na+CF3COOH"	136.98208
"1580192"	1274.32712	"C16389"	"(6Z9Z12Z15Z18Z)-3-Oxotetracosapenta-69121518-enoyl-CoA"	"C45H70N7O18P3S"	"1121.3711"	"M+K+CF3COOH"	152.95602
"810559"	162.0528	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M"	0
"974612"	143.03441	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"69055"	107.027924	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"508614"	161.045524	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"892251"	53.010324	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"8273"	161.045524	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"445646"	242.071924	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"828918"	80.019124	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"88907"	323.098324	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"531507"	485.151124	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"908338"	161.045524	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"60282"	340.124871	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"496928"	502.177671	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"876671"	178.072071	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"43719"	345.080266	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"476718"	507.133066	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"851601"	183.027466	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1618868"	183.027466	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"99495"	179.033863	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"536868"	260.060263	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"929288"	98.007463	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"273314"	359.075002	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"660752"	521.127802	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1274859"	197.022202	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"16806"	361.054206	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"463539"	523.107006	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"838059"	199.001406	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1562643"	199.001406	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"943354"	207.050994	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"369832"	369.103801	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"351898"	383.119451	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1495623"	221.066651	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"962072"	229.032951	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"111346"	197.022202	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"550904"	278.048602	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1024081"	115.995802	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1244388"	240.971685	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1305381"	243.027672	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1321054"	265.009629	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"911494"	275.038386	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1289671"	311.015064	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1371720"	127.040124	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1383092"	145.0501	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"283678"	325.112876	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"676101"	487.165676	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1359872"	163.060076	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"131666"	163.060076	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"567214"	244.086476	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1040387"	82.033676	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"205374"	109.042476	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"648577"	163.060076	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1172170"	55.024876	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"428881"	342.139423	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"788785"	504.192223	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1682323"	180.086623	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"330238"	171.5733495	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"723098"	252.5997495	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1477245"	90.5469495	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"393939"	347.094818	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"757123"	509.147618	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1610690"	185.042018	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"315501"	174.051047	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"712054"	255.077447	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1466968"	93.024647	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1061308"	62.35219	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1261895"	195.086286	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"380834"	363.068758	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"744746"	525.121558	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1542060"	201.015958	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"306165"	182.038017	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"694941"	263.064417	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1452408"	101.011617	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"240645"	366.139426	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1214081"	204.086626	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1196872"	102.546951	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"194850"	369.07676	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"634045"	531.12956	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1137919"	207.02396	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"177564"	185.042018	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"624784"	266.068418	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1123918"	104.015618	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1409263"	69.679504	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1441016"	209.065546	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"232534"	190.07504	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1523391"	223.11759	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"417003"	193.028988	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"779820"	274.055388	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1673600"	112.002588	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"259036"	388.121368	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1229190"	226.068568	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1715886"	226.092093	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1182336"	77.006818	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1652955"	231.047488	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"160909"	401.02464	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"601198"	563.07744	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1086803"	238.97184	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"143622"	201.015958	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"590848"	282.042358	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1077546"	119.989558	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1110755"	240.986392	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1344953"	241.074007	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1010199"	245.113176	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1528326"	246.106808	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"1000251"	123.060226	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1599126"	247.021428	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1428067"	277.052938	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1160543"	143.573501	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1707906"	294.079485	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1649391"	299.03488	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1580302"	315.00882	"C16390"	"(S)-2-(Hydroxymethyl)glutarate"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"810669"	227.0178	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M"	0
"975327"	207.99941	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-H2O-H"	-19.01839
"69165"	150.337924	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M-3H"	-3.021828
"507630"	226.010524	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M-3H"	-3.021828
"892361"	74.665324	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-3H"	-3.021828
"8383"	226.010524	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M-2H"	-2.014552
"451224"	339.519424	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M-2H"	-2.014552
"829026"	112.501624	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-2H"	-2.014552
"86830"	453.028324	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M-H"	-1.007276
"531738"	680.046124	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M-H"	-1.007276
"910029"	226.010524	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-H"	-1.007276
"60757"	470.054871	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M-2H+NH4"	16.019271
"498860"	697.072671	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M-2H+NH4"	16.019271
"877023"	243.037071	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-2H+NH4"	16.019271
"42736"	475.010266	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M-2H+Na"	20.974666
"483389"	702.028066	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M-2H+Na"	20.974666
"856817"	247.992466	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-2H+Na"	20.974666
"1620521"	247.992466	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Na-2H"	20.974666
"97413"	243.998863	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M-H+Cl"	33.962126
"541348"	357.507763	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M-H+Cl"	33.962126
"933768"	130.489963	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-H+Cl"	33.962126
"274519"	489.005002	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+Cl"	34.969402
"662565"	716.022802	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+Cl"	34.969402
"1284813"	261.987202	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Cl"	34.969402
"27369"	490.984206	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M-2H+K"	36.948606
"468024"	718.002006	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M-2H+K"	36.948606
"843640"	263.966406	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-2H+K"	36.948606
"1569314"	263.966406	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+K-2H"	36.948606
"955010"	272.015994	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-H+HCOOH"	44.998194
"372134"	499.033801	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+HCOOH-H"	44.998201
"356020"	513.049451	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+Hac-H"	59.013851
"1502662"	286.031651	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Hac-H"	59.013851
"963642"	293.997951	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-H+NaCOOH"	66.980151
"115467"	261.987202	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+2Cl"	69.938804
"554664"	375.496102	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+2Cl"	69.938804
"1025650"	148.478302	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2Cl"	69.938804
"1251426"	305.936685	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Br"	78.918885
"1309865"	307.992672	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Cl+HCOOH"	80.974872
"1328090"	329.974629	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Cl+NaCOOH"	102.956829
"912098"	340.003386	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M-H+CF3COOH"	112.985586
"1298043"	375.980064	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Cl+CF3COOH"	148.962264
"1375110"	192.005124	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H-2H2O"	-35.012676
"1389328"	210.0151	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H-H2O"	-17.0027
"290108"	455.042876	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+H"	1.007276
"676698"	682.060676	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+H"	1.007276
"1353050"	228.025076	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H"	1.007276
"130681"	228.025076	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+2H"	2.014552
"567686"	341.533976	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+2H"	2.014552
"1039767"	114.516176	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2H"	2.014552
"209127"	152.352476	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+3H"	3.021828
"646865"	228.025076	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+3H"	3.021828
"1172280"	76.679876	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+3H"	3.021828
"427899"	472.069423	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+NH4"	18.033823
"789991"	699.087223	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+NH4"	18.033823
"1683771"	245.051623	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+NH4"	18.033823
"330957"	236.5383495	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+H+NH4"	19.041099
"723494"	350.0472495	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+H+NH4"	19.041099
"1477805"	123.0294495	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H+NH4"	19.041099
"393569"	477.024818	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+Na"	22.989218
"757238"	704.042618	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+Na"	22.989218
"1606428"	250.007018	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Na"	22.989218
"319746"	239.016047	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+H+Na"	23.996494
"709250"	352.524947	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+H+Na"	23.996494
"1472547"	125.507147	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H+Na"	23.996494
"1060326"	84.00719	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2H+Na"	25.00377
"1263101"	260.051286	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+CH3OH+H"	33.033486
"379491"	492.998758	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+K"	38.963158
"749231"	720.016558	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+K"	38.963158
"1551283"	265.980958	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+K"	38.963158
"307368"	247.003017	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+H+K"	39.970434
"698696"	360.511917	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+H+K"	39.970434
"1455797"	133.494117	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H+K"	39.970434
"242212"	496.069426	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+ACN+H"	42.033826
"1214920"	269.051626	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+ACN+H"	42.033826
"1200991"	135.029451	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+ACN+2H"	43.041102
"194594"	499.00676	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+2Na-H"	44.97116
"631602"	726.02456	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+2Na-H"	44.97116
"1138029"	271.98896	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2Na-H"	44.97116
"176578"	250.007018	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+2Na"	45.978436
"621249"	363.515918	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+2Na"	45.978436
"1117100"	136.498118	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2Na"	45.978436
"1399531"	91.334504	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H+2Na"	46.985712
"1432742"	274.030546	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H+HCOOH"	47.012746
"224260"	255.04004	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+3H2O+2H"	56.04448
"1519248"	288.08259	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+IsoProp+H"	61.06479
"415290"	257.993988	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+Na+K"	61.952376
"778474"	371.502888	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+Na+K"	61.952376
"1672617"	144.485088	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Na+K"	61.952376
"253673"	518.051368	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+ACN+Na"	64.015768
"1226459"	291.033568	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+ACN+Na"	64.015768
"1713685"	291.057093	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+NH4+HCOOH"	64.039293
"1180254"	98.661818	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+3Na"	68.967654
"1651969"	296.012488	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Na+HCOOH"	68.994688
"159196"	530.95464	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+2K-H"	76.91904
"601307"	757.97244	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+2K-H"	76.91904
"1086913"	303.93684	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2K-H"	76.91904
"143732"	265.980958	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"2M+2K"	77.926316
"584393"	379.489858	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"3M+2K"	77.926316
"1071820"	152.472058	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2K"	77.926316
"1104298"	305.951392	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2K+H"	78.933592
"1338864"	306.039007	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+DMSO+H"	79.021207
"1009211"	310.078176	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2ACN+H"	83.060376
"1528436"	311.071808	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+IsoProp+Na+H"	84.054008
"1000359"	155.542726	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+2ACN+2H"	84.067652
"1598143"	311.986428	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+K+HCOOH"	84.968628
"1425990"	342.017938	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+H+CF3COOH"	115.000138
"1157371"	176.056001	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+3ACN+2H"	125.094202
"1701455"	359.044485	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+NH4+CF3COOH"	132.026685
"1649788"	363.99988	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+Na+CF3COOH"	136.98208
"1580412"	379.97382	"C16391"	"Trinitrotoluene;246-Trinitrotoluene"	"C7H5N3O6"	"227.0178"	"M+K+CF3COOH"	152.95602
"810779"	213.0386	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M"	0
"977020"	194.02021	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H2O-H"	-19.01839
"70368"	141.018457333333	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-3H"	-3.021828
"507740"	212.031324	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-3H"	-3.021828
"893564"	70.0055906666667	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-3H"	-3.021828
"8493"	212.031324	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H"	-2.014552
"452427"	318.550624	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H"	-2.014552
"830229"	105.512024	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H"	-2.014552
"88033"	425.069924	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-H"	-1.007276
"532820"	638.108524	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-H"	-1.007276
"910385"	212.031324	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H"	-1.007276
"62532"	442.096471	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H+NH4"	16.019271
"502337"	655.135071	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H+NH4"	16.019271
"878714"	229.057871	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H+NH4"	16.019271
"42846"	447.051866	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H+Na"	20.974666
"483499"	660.090466	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H+Na"	20.974666
"856927"	234.013266	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H+Na"	20.974666
"1623184"	234.013266	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na-2H"	20.974666
"97887"	230.019663	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-H+Cl"	33.962126
"541458"	336.538963	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-H+Cl"	33.962126
"933878"	123.500363	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+Cl"	33.962126
"274629"	461.046602	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Cl"	34.969402
"665955"	674.085202	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+Cl"	34.969402
"1285652"	248.008002	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl"	34.969402
"29301"	463.025806	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H+K"	36.948606
"469227"	676.064406	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H+K"	36.948606
"846666"	249.987206	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H+K"	36.948606
"1569424"	249.987206	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K-2H"	36.948606
"956214"	258.036794	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+HCOOH"	44.998194
"373705"	471.075401	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+HCOOH-H"	44.998201
"359407"	485.091051	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Hac-H"	59.013851
"1506052"	272.052451	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Hac-H"	59.013851
"967032"	280.018751	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+NaCOOH"	66.980151
"115942"	248.008002	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2Cl"	69.938804
"555503"	354.527302	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2Cl"	69.938804
"1025760"	141.488702	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2Cl"	69.938804
"1249349"	291.957485	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Br"	78.918885
"1307787"	294.013472	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl+HCOOH"	80.974872
"1324920"	315.995429	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl+NaCOOH"	102.956829
"912332"	326.024186	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+CF3COOH"	112.985586
"1297060"	362.000864	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl+CF3COOH"	148.962264
"1369387"	178.025924	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H-2H2O"	-35.012676
"1387251"	196.0359	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H-H2O"	-17.0027
"284748"	427.084476	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H"	1.007276
"675873"	640.123076	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H"	1.007276
"1352184"	214.045876	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H"	1.007276
"127872"	214.045876	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2H"	2.014552
"566093"	320.565176	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2H"	2.014552
"1037808"	107.526576	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2H"	2.014552
"206319"	143.033009333333	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+3H"	3.021828
"646609"	214.045876	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+3H"	3.021828
"1166193"	72.0201426666667	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+3H"	3.021828
"426915"	444.111023	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+NH4"	18.033823
"787915"	657.149623	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+NH4"	18.033823
"1682909"	231.072423	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+NH4"	18.033823
"330456"	222.5591495	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H+NH4"	19.041099
"723234"	329.0784495	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H+NH4"	19.041099
"1477915"	116.0398495	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+NH4"	19.041099
"393801"	449.066418	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Na"	22.989218
"755162"	662.105018	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+Na"	22.989218
"1604350"	236.027818	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na"	22.989218
"315602"	225.036847	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H+Na"	23.996494
"708629"	331.556147	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H+Na"	23.996494
"1469375"	118.517547	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+Na"	23.996494
"1057156"	79.3474566666667	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2H+Na"	25.00377
"1263211"	246.072086	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+CH3OH+H"	33.033486
"380694"	465.040358	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+K"	38.963158
"745331"	678.078958	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+K"	38.963158
"1546290"	252.001758	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K"	38.963158
"305292"	233.023817	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H+K"	39.970434
"695891"	339.543117	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H+K"	39.970434
"1453719"	126.504517	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+K"	39.970434
"241229"	468.111026	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+ACN+H"	42.033826
"1213936"	255.072426	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+ACN+H"	42.033826
"1200008"	128.039851	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+ACN+2H"	43.041102
"193244"	471.04836	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2Na-H"	44.97116
"629402"	684.08696	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2Na-H"	44.97116
"1138139"	258.00976	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2Na-H"	44.97116
"175595"	236.027818	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2Na"	45.978436
"624272"	342.547118	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2Na"	45.978436
"1117941"	129.508518	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2Na"	45.978436
"1401465"	86.6747706666667	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+2Na"	46.985712
"1432852"	260.051346	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+HCOOH"	47.012746
"226557"	241.06084	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+3H2O+2H"	56.04448
"1518992"	274.10339	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+IsoProp+H"	61.06479
"417586"	244.014788	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Na+K"	61.952376
"779678"	350.534088	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+Na+K"	61.952376
"1676005"	137.495488	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na+K"	61.952376
"251956"	490.092968	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+ACN+Na"	64.015768
"1227221"	277.054368	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+ACN+Na"	64.015768
"1712789"	277.077893	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+NH4+HCOOH"	64.039293
"1178628"	94.0020846666667	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+3Na"	68.967654
"1651351"	282.033288	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na+HCOOH"	68.994688
"158453"	502.99624	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2K-H"	76.91904
"598500"	716.03484	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2K-H"	76.91904
"1085199"	289.95764	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2K-H"	76.91904
"142505"	252.001758	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2K"	77.926316
"584867"	358.521058	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2K"	77.926316
"1071566"	145.482458	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2K"	77.926316
"1102586"	291.972192	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2K+H"	78.933592
"1338609"	292.059807	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+DMSO+H"	79.021207
"1007498"	296.098976	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2ACN+H"	83.060376
"1527453"	297.092608	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+IsoProp+Na+H"	84.054008
"1001561"	148.553126	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2ACN+2H"	84.067652
"1596065"	298.007228	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K+HCOOH"	84.968628
"1423912"	328.038738	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+CF3COOH"	115.000138
"1157481"	169.066401	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+3ACN+2H"	125.094202
"1702658"	345.065285	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+NH4+CF3COOH"	132.026685
"1649249"	350.02068	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na+CF3COOH"	136.98208
"1580522"	365.99462	"C16392"	"4-Hydroxylamino-26-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K+CF3COOH"	152.95602
"810889"	213.0386	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M"	0
"975793"	194.02021	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H2O-H"	-19.01839
"67198"	141.018457333333	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-3H"	-3.021828
"505664"	212.031324	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-3H"	-3.021828
"892945"	70.0055906666667	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-3H"	-3.021828
"8603"	212.031324	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H"	-2.014552
"445975"	318.550624	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H"	-2.014552
"830339"	105.512024	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H"	-2.014552
"87050"	425.069924	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-H"	-1.007276
"533416"	638.108524	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-H"	-1.007276
"908794"	212.031324	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H"	-1.007276
"62193"	442.096471	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H+NH4"	16.019271
"502240"	655.135071	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H+NH4"	16.019271
"879187"	229.057871	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H+NH4"	16.019271
"44049"	447.051866	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H+Na"	20.974666
"483609"	660.090466	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H+Na"	20.974666
"857037"	234.013266	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H+Na"	20.974666
"1623294"	234.013266	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na-2H"	20.974666
"97632"	230.019663	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-H+Cl"	33.962126
"538288"	336.538963	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-H+Cl"	33.962126
"933988"	123.500363	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+Cl"	33.962126
"274739"	461.046602	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Cl"	34.969402
"664972"	674.085202	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+Cl"	34.969402
"1284669"	248.008002	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl"	34.969402
"29047"	463.025806	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M-2H+K"	36.948606
"468973"	676.064406	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M-2H+K"	36.948606
"847141"	249.987206	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-2H+K"	36.948606
"1569534"	249.987206	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K-2H"	36.948606
"954137"	258.036794	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+HCOOH"	44.998194
"375272"	471.075401	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+HCOOH-H"	44.998201
"356241"	485.091051	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Hac-H"	59.013851
"1507744"	272.052451	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Hac-H"	59.013851
"967142"	280.018751	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+NaCOOH"	66.980151
"118238"	248.008002	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2Cl"	69.938804
"557070"	354.527302	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2Cl"	69.938804
"1027692"	141.488702	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2Cl"	69.938804
"1248367"	291.957485	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Br"	78.918885
"1310084"	294.013472	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl+HCOOH"	80.974872
"1325030"	315.995429	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl+NaCOOH"	102.956829
"915360"	326.024186	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M-H+CF3COOH"	112.985586
"1298263"	362.000864	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Cl+CF3COOH"	148.962264
"1369497"	178.025924	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H-2H2O"	-35.012676
"1388454"	196.0359	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H-H2O"	-17.0027
"285955"	427.084476	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H"	1.007276
"676918"	640.123076	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H"	1.007276
"1352173"	214.045876	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H"	1.007276
"127618"	214.045876	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2H"	2.014552
"566327"	320.565176	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2H"	2.014552
"1038164"	107.526576	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2H"	2.014552
"209347"	143.033009333333	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+3H"	3.021828
"650002"	214.045876	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+3H"	3.021828
"1170314"	72.0201426666667	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+3H"	3.021828
"425934"	444.111023	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+NH4"	18.033823
"789118"	657.149623	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+NH4"	18.033823
"1682534"	231.072423	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+NH4"	18.033823
"331543"	222.5591495	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H+NH4"	19.041099
"722827"	329.0784495	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H+NH4"	19.041099
"1477296"	116.0398495	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+NH4"	19.041099
"393224"	449.066418	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Na"	22.989218
"754405"	662.105018	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+Na"	22.989218
"1603165"	236.027818	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na"	22.989218
"315590"	225.036847	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H+Na"	23.996494
"709106"	331.556147	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H+Na"	23.996494
"1467300"	118.517547	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+Na"	23.996494
"1056172"	79.3474566666667	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2H+Na"	25.00377
"1262227"	246.072086	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+CH3OH+H"	33.033486
"382992"	465.040358	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+K"	38.963158
"743984"	678.078958	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+K"	38.963158
"1544943"	252.001758	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K"	38.963158
"304671"	233.023817	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+H+K"	39.970434
"697824"	339.543117	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+H+K"	39.970434
"1454922"	126.504517	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+K"	39.970434
"240245"	468.111026	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+ACN+H"	42.033826
"1216233"	255.072426	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+ACN+H"	42.033826
"1195742"	128.039851	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+ACN+2H"	43.041102
"192989"	471.04836	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2Na-H"	44.97116
"631820"	684.08696	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2Na-H"	44.97116
"1136061"	258.00976	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2Na-H"	44.97116
"177165"	236.027818	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2Na"	45.978436
"625475"	342.547118	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2Na"	45.978436
"1118414"	129.508518	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2Na"	45.978436
"1401575"	86.6747706666667	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+2Na"	46.985712
"1435878"	260.051346	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+HCOOH"	47.012746
"227760"	241.06084	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+3H2O+2H"	56.04448
"1519832"	274.10339	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+IsoProp+H"	61.06479
"419521"	244.014788	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+Na+K"	61.952376
"780883"	350.534088	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+Na+K"	61.952376
"1676114"	137.495488	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na+K"	61.952376
"252801"	490.092968	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+ACN+Na"	64.015768
"1226967"	277.054368	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+ACN+Na"	64.015768
"1712921"	277.077893	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+NH4+HCOOH"	64.039293
"1178537"	94.0020846666667	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+3Na"	68.967654
"1651825"	282.033288	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na+HCOOH"	68.994688
"158079"	502.99624	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2K-H"	76.91904
"597514"	716.03484	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2K-H"	76.91904
"1086404"	289.95764	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2K-H"	76.91904
"143587"	252.001758	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"2M+2K"	77.926316
"583518"	358.521058	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"3M+2K"	77.926316
"1070704"	145.482458	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2K"	77.926316
"1101359"	291.972192	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2K+H"	78.933592
"1339083"	292.059807	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+DMSO+H"	79.021207
"1006879"	296.098976	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2ACN+H"	83.060376
"1528656"	297.092608	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+IsoProp+Na+H"	84.054008
"1001671"	148.553126	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+2ACN+2H"	84.067652
"1598362"	298.007228	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K+HCOOH"	84.968628
"1426208"	328.038738	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+H+CF3COOH"	115.000138
"1157591"	169.066401	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+3ACN+2H"	125.094202
"1702768"	345.065285	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+NH4+CF3COOH"	132.026685
"1648631"	350.02068	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+Na+CF3COOH"	136.98208
"1583912"	365.99462	"C16393"	"2-Hydroxylamino-46-dinitrotoluene"	"C7H7N3O5"	"213.0386"	"M+K+CF3COOH"	152.95602
"810999"	197.0437	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M"	0
"975052"	178.02531	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H2O-H"	-19.01839
"67308"	130.355190666667	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-3H"	-3.021828
"505774"	196.036424	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-3H"	-3.021828
"880043"	64.6739573333333	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-3H"	-3.021828
"2152"	196.036424	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H"	-2.014552
"444992"	294.558274	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H"	-2.014552
"817315"	97.514574	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H"	-2.014552
"79253"	393.080124	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-H"	-1.007276
"530001"	590.123824	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-H"	-1.007276
"902335"	196.036424	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H"	-1.007276
"54522"	410.106671	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H+NH4"	16.019271
"500644"	607.150371	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H+NH4"	16.019271
"869698"	213.062971	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H+NH4"	16.019271
"35410"	415.062066	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H+Na"	20.974666
"478252"	612.105766	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H+Na"	20.974666
"851314"	218.018366	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H+Na"	20.974666
"1626684"	218.018366	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na-2H"	20.974666
"95191"	214.024763	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-H+Cl"	33.962126
"537669"	312.546613	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-H+Cl"	33.962126
"929724"	115.502913	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+Cl"	33.962126
"274850"	429.056802	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Cl"	34.969402
"666176"	626.100502	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+Cl"	34.969402
"1279673"	232.013102	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl"	34.969402
"29521"	431.036006	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H+K"	36.948606
"467260"	628.079706	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H+K"	36.948606
"846157"	233.992306	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H+K"	36.948606
"1567457"	233.992306	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K-2H"	36.948606
"957487"	242.041894	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+HCOOH"	44.998194
"375383"	439.085601	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+HCOOH-H"	44.998201
"358173"	453.101251	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Hac-H"	59.013851
"1508098"	256.057551	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Hac-H"	59.013851
"968345"	264.023851	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+NaCOOH"	66.980151
"115068"	232.013102	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2Cl"	69.938804
"556816"	330.534952	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2Cl"	69.938804
"1028896"	133.491252	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2Cl"	69.938804
"1248477"	275.962585	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Br"	78.918885
"1310924"	278.018572	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl+HCOOH"	80.974872
"1330607"	300.000529	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl+NaCOOH"	102.956829
"917293"	310.029286	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+CF3COOH"	112.985586
"1298375"	346.005964	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl+CF3COOH"	148.962264
"1375440"	162.031024	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H-2H2O"	-35.012676
"1388565"	180.041	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H-H2O"	-17.0027
"288252"	395.094676	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H"	1.007276
"677030"	592.138376	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H"	1.007276
"1354111"	198.050976	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H"	1.007276
"129918"	198.050976	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2H"	2.014552
"566561"	296.572826	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2H"	2.014552
"1038640"	99.529126	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2H"	2.014552
"209457"	132.369742666667	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+3H"	3.021828
"650112"	198.050976	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+3H"	3.021828
"1172611"	66.6885093333333	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+3H"	3.021828
"426407"	412.121223	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+NH4"	18.033823
"785980"	609.164923	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+NH4"	18.033823
"1681708"	215.077523	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+NH4"	18.033823
"330144"	206.5642495	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H+NH4"	19.041099
"723010"	305.0860995	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H+NH4"	19.041099
"1477528"	108.0423995	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+NH4"	19.041099
"393288"	417.076618	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Na"	22.989218
"754393"	614.120318	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+Na"	22.989218
"1602898"	220.032918	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na"	22.989218
"314390"	209.041947	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H+Na"	23.996494
"707215"	307.563797	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H+Na"	23.996494
"1464130"	110.520097	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+Na"	23.996494
"1053120"	74.0158233333333	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2H+Na"	25.00377
"1260150"	230.077186	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+CH3OH+H"	33.033486
"379818"	433.050558	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+K"	38.963158
"740084"	630.094258	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+K"	38.963158
"1543958"	236.006858	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K"	38.963158
"303322"	217.028917	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H+K"	39.970434
"695747"	315.550767	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H+K"	39.970434
"1449567"	118.507067	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+K"	39.970434
"241449"	436.121226	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+ACN+H"	42.033826
"1215249"	239.077526	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+ACN+H"	42.033826
"1195486"	120.042401	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+ACN+2H"	43.041102
"191277"	439.05856	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2Na-H"	44.97116
"630831"	636.10226	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2Na-H"	44.97116
"1133008"	242.01486	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2Na-H"	44.97116
"175570"	220.032918	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2Na"	45.978436
"624857"	318.554768	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2Na"	45.978436
"1118160"	121.511068	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2Na"	45.978436
"1402778"	81.3431373333333	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+2Na"	46.985712
"1435989"	244.056446	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+HCOOH"	47.012746
"228963"	225.06594	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+3H2O+2H"	56.04448
"1519942"	258.10849	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+IsoProp+H"	61.06479
"417809"	228.019888	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Na+K"	61.952376
"780992"	326.541738	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+Na+K"	61.952376
"1672946"	129.498038	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na+K"	61.952376
"253640"	458.103168	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+ACN+Na"	64.015768
"1226713"	261.059468	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+ACN+Na"	64.015768
"1713532"	261.082993	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+NH4+HCOOH"	64.039293
"1178597"	88.6704513333333	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+3Na"	68.967654
"1650517"	266.038388	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na+HCOOH"	68.994688
"158798"	471.00644	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2K-H"	76.91904
"600908"	668.05014	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2K-H"	76.91904
"1087244"	273.96274	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2K-H"	76.91904
"142240"	236.006858	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2K"	77.926316
"583628"	334.528708	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2K"	77.926316
"1070449"	137.485008	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2K"	77.926316
"1100984"	275.977292	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2K+H"	78.933592
"1337369"	276.064907	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+DMSO+H"	79.021207
"1006865"	280.104076	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2ACN+H"	83.060376
"1526579"	281.097708	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+IsoProp+Na+H"	84.054008
"997406"	140.555676	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2ACN+2H"	84.067652
"1599566"	282.012328	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K+HCOOH"	84.968628
"1424131"	312.043838	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+CF3COOH"	115.000138
"1154421"	161.068951	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+3ACN+2H"	125.094202
"1699598"	329.070385	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+NH4+CF3COOH"	132.026685
"1649344"	334.02578	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na+CF3COOH"	136.98208
"1584022"	349.99972	"C16394"	"4-Amino-26-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K+CF3COOH"	152.95602
"813298"	197.0437	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M"	0
"978081"	178.02531	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H2O-H"	-19.01839
"67418"	130.355190666667	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-3H"	-3.021828
"512446"	196.036424	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-3H"	-3.021828
"882593"	64.6739573333333	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-3H"	-3.021828
"7730"	196.036424	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H"	-2.014552
"445102"	294.558274	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H"	-2.014552
"820716"	97.514574	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H"	-2.014552
"79735"	393.080124	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-H"	-1.007276
"525737"	590.123824	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-H"	-1.007276
"907914"	196.036424	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H"	-1.007276
"56820"	410.106671	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H+NH4"	16.019271
"500390"	607.150371	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H+NH4"	16.019271
"869808"	213.062971	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H+NH4"	16.019271
"34428"	415.062066	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H+Na"	20.974666
"478362"	612.105766	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H+Na"	20.974666
"850696"	218.018366	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H+Na"	20.974666
"1626794"	218.018366	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na-2H"	20.974666
"94323"	214.024763	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-H+Cl"	33.962126
"537415"	312.546613	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-H+Cl"	33.962126
"928742"	115.502913	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+Cl"	33.962126
"276053"	429.056802	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Cl"	34.969402
"666286"	626.100502	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+Cl"	34.969402
"1279783"	232.013102	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl"	34.969402
"29631"	431.036006	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M-2H+K"	36.948606
"467370"	628.079706	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M-2H+K"	36.948606
"846997"	233.992306	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-2H+K"	36.948606
"1566474"	233.992306	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K-2H"	36.948606
"955450"	242.041894	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+HCOOH"	44.998194
"375493"	439.085601	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+HCOOH-H"	44.998201
"358285"	453.101251	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Hac-H"	59.013851
"1507481"	256.057551	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Hac-H"	59.013851
"968455"	264.023851	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+NaCOOH"	66.980151
"117365"	232.013102	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2Cl"	69.938804
"558019"	330.534952	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2Cl"	69.938804
"1027913"	133.491252	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2Cl"	69.938804
"1248587"	275.962585	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Br"	78.918885
"1313222"	278.018572	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl+HCOOH"	80.974872
"1329626"	300.000529	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl+NaCOOH"	102.956829
"920684"	310.029286	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M-H+CF3COOH"	112.985586
"1297392"	346.005964	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Cl+CF3COOH"	148.962264
"1377740"	162.031024	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H-2H2O"	-35.012676
"1387580"	180.041	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H-H2O"	-17.0027
"289455"	395.094676	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H"	1.007276
"676775"	592.138376	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H"	1.007276
"1354950"	198.050976	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H"	1.007276
"131122"	198.050976	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2H"	2.014552
"568493"	296.572826	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2H"	2.014552
"1040572"	99.529126	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2H"	2.014552
"210660"	132.369742666667	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+3H"	3.021828
"650222"	198.050976	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+3H"	3.021828
"1173814"	66.6885093333333	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+3H"	3.021828
"427246"	412.121223	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+NH4"	18.033823
"787389"	609.164923	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+NH4"	18.033823
"1683480"	215.077523	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+NH4"	18.033823
"330418"	206.5642495	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H+NH4"	19.041099
"723327"	305.0860995	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H+NH4"	19.041099
"1477432"	108.0423995	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+NH4"	19.041099
"393194"	417.076618	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Na"	22.989218
"755126"	614.120318	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+Na"	22.989218
"1603013"	220.032918	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na"	22.989218
"314505"	209.041947	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H+Na"	23.996494
"707377"	307.563797	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H+Na"	23.996494
"1464238"	110.520097	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+Na"	23.996494
"1053109"	74.0158233333333	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2H+Na"	25.00377
"1259167"	230.077186	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+CH3OH+H"	33.033486
"377452"	433.050558	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+K"	38.963158
"740557"	630.094258	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+K"	38.963158
"1540790"	236.006858	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K"	38.963158
"301610"	217.028917	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+H+K"	39.970434
"695127"	315.550767	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+H+K"	39.970434
"1447489"	118.507067	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+K"	39.970434
"241557"	436.121226	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+ACN+H"	42.033826
"1211348"	239.077526	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+ACN+H"	42.033826
"1195599"	120.042401	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+ACN+2H"	43.041102
"189563"	439.05856	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2Na-H"	44.97116
"629165"	636.10226	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2Na-H"	44.97116
"1132992"	242.01486	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2Na-H"	44.97116
"175196"	220.032918	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2Na"	45.978436
"625695"	318.554768	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2Na"	45.978436
"1121549"	121.511068	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2Na"	45.978436
"1402889"	81.3431373333333	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+2Na"	46.985712
"1438285"	244.056446	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+HCOOH"	47.012746
"230532"	225.06594	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+3H2O+2H"	56.04448
"1518229"	258.10849	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+IsoProp+H"	61.06479
"417916"	228.019888	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+Na+K"	61.952376
"778912"	326.541738	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+Na+K"	61.952376
"1674148"	129.498038	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na+K"	61.952376
"254114"	458.103168	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+ACN+Na"	64.015768
"1225886"	261.059468	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+ACN+Na"	64.015768
"1713148"	261.082993	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+NH4+HCOOH"	64.039293
"1180331"	88.6704513333333	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+3Na"	68.967654
"1651681"	266.038388	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na+HCOOH"	68.994688
"157813"	471.00644	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2K-H"	76.91904
"599927"	668.05014	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2K-H"	76.91904
"1086260"	273.96274	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2K-H"	76.91904
"145627"	236.006858	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"2M+2K"	77.926316
"584106"	334.528708	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"3M+2K"	77.926316
"1073723"	137.485008	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2K"	77.926316
"1102553"	275.977292	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2K+H"	78.933592
"1338209"	276.064907	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+DMSO+H"	79.021207
"1007098"	280.104076	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2ACN+H"	83.060376
"1528146"	281.097708	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+IsoProp+Na+H"	84.054008
"995330"	140.555676	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+2ACN+2H"	84.067652
"1600405"	282.012328	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K+HCOOH"	84.968628
"1426428"	312.043838	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+H+CF3COOH"	115.000138
"1154531"	161.068951	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+3ACN+2H"	125.094202
"1699708"	329.070385	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+NH4+CF3COOH"	132.026685
"1649211"	334.02578	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+Na+CF3COOH"	136.98208
"1584132"	349.99972	"C16395"	"2-Amino-46-dinitrotoluene"	"C7H7N3O4"	"197.0437"	"M+K+CF3COOH"	152.95602
"804658"	167.0695	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M"	0
"978191"	148.05111	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H2O-H"	-19.01839
"67528"	110.372390666667	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-3H"	-3.021828
"512556"	166.062224	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-3H"	-3.021828
"888170"	54.6825573333333	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-3H"	-3.021828
"7840"	166.062224	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H"	-2.014552
"443024"	249.596974	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H"	-2.014552
"824106"	82.527474	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H"	-2.014552
"83004"	333.131724	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-H"	-1.007276
"529127"	500.201224	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-H"	-1.007276
"905835"	166.062224	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H"	-1.007276
"59117"	350.158271	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H+NH4"	16.019271
"495396"	517.227771	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H+NH4"	16.019271
"869918"	183.088771	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H+NH4"	16.019271
"37818"	355.113666	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H+Na"	20.974666
"475191"	522.183166	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H+Na"	20.974666
"856273"	188.044166	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H+Na"	20.974666
"1626904"	188.044166	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na-2H"	20.974666
"96140"	184.050563	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-H+Cl"	33.962126
"537525"	267.585313	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-H+Cl"	33.962126
"929945"	100.515813	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+Cl"	33.962126
"280901"	369.108402	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Cl"	34.969402
"671862"	536.177902	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+Cl"	34.969402
"1284267"	202.038902	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl"	34.969402
"29012"	371.087606	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H+K"	36.948606
"467480"	538.157106	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H+K"	36.948606
"844190"	204.018106	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H+K"	36.948606
"1565491"	204.018106	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K-2H"	36.948606
"955560"	212.067694	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+HCOOH"	44.998194
"375603"	379.137201	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+HCOOH-H"	44.998201
"360214"	393.152851	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Hac-H"	59.013851
"1507951"	226.083351	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Hac-H"	59.013851
"972214"	234.049651	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+NaCOOH"	66.980151
"121847"	202.038902	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2Cl"	69.938804
"555943"	285.573652	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2Cl"	69.938804
"1029116"	118.504152	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2Cl"	69.938804
"1246873"	245.988385	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Br"	78.918885
"1314425"	248.044372	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl+HCOOH"	80.974872
"1329735"	270.026329	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl+NaCOOH"	102.956829
"915326"	280.055086	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+CF3COOH"	112.985586
"1300781"	316.031764	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl+CF3COOH"	148.962264
"1372380"	132.056824	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H-2H2O"	-35.012676
"1387690"	150.0668	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H-H2O"	-17.0027
"287012"	335.146276	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H"	1.007276
"676884"	502.215776	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H"	1.007276
"1356154"	168.076776	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H"	1.007276
"132325"	168.076776	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2H"	2.014552
"567873"	251.611526	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2H"	2.014552
"1042869"	84.542026	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2H"	2.014552
"209677"	112.386942666667	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+3H"	3.021828
"651425"	168.076776	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+3H"	3.021828
"1170645"	56.6971093333333	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+3H"	3.021828
"431732"	352.172823	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+NH4"	18.033823
"789447"	519.242323	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+NH4"	18.033823
"1685777"	185.103323	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+NH4"	18.033823
"331141"	176.5900495	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H+NH4"	19.041099
"726478"	260.1247995	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H+NH4"	19.041099
"1477420"	93.0552995	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+NH4"	19.041099
"393267"	357.128218	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Na"	22.989218
"756696"	524.197718	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+Na"	22.989218
"1604425"	190.058718	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na"	22.989218
"316650"	179.067747	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H+Na"	23.996494
"710531"	262.602497	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H+Na"	23.996494
"1465443"	95.532997	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+Na"	23.996494
"1055410"	64.0244233333333	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2H+Na"	25.00377
"1263651"	200.102986	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+CH3OH+H"	33.033486
"378945"	373.102158	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+K"	38.963158
"741034"	540.171658	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+K"	38.963158
"1542359"	206.032658	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K"	38.963158
"302452"	187.054717	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H+K"	39.970434
"694506"	270.589467	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H+K"	39.970434
"1450880"	103.519967	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+K"	39.970434
"244947"	376.172826	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+ACN+H"	42.033826
"1216563"	209.103326	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+ACN+H"	42.033826
"1199352"	105.055301	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+ACN+2H"	43.041102
"189789"	379.11016	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2Na-H"	44.97116
"630323"	546.17966	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2Na-H"	44.97116
"1133466"	212.04066	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2Na-H"	44.97116
"176394"	190.058718	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2Na"	45.978436
"615224"	273.593468	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2Na"	45.978436
"1116427"	106.523968	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2Na"	45.978436
"1408462"	71.3517373333333	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+2Na"	46.985712
"1438392"	214.082246	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+HCOOH"	47.012746
"229183"	195.09174	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+3H2O+2H"	56.04448
"1520526"	228.13429	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+IsoProp+H"	61.06479
"419119"	198.045688	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Na+K"	61.952376
"782302"	281.580438	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+Na+K"	61.952376
"1674259"	114.510938	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na+K"	61.952376
"262974"	398.154768	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+ACN+Na"	64.015768
"1235682"	231.085268	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+ACN+Na"	64.015768
"1725296"	231.108793	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+NH4+HCOOH"	64.039293
"1186641"	78.6790513333333	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+3Na"	68.967654
"1653252"	236.064188	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na+HCOOH"	68.994688
"161205"	411.05804	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2K-H"	76.91904
"600768"	578.12754	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2K-H"	76.91904
"1090746"	243.98854	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2K-H"	76.91904
"147561"	206.032658	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2K"	77.926316
"588215"	289.567408	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2K"	77.926316
"1071646"	122.497908	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2K"	77.926316
"1103757"	246.003092	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2K+H"	78.933592
"1339048"	246.090707	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+DMSO+H"	79.021207
"1008421"	250.129876	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2ACN+H"	83.060376
"1526070"	251.123508	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+IsoProp+Na+H"	84.054008
"996533"	125.568576	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2ACN+2H"	84.067652
"1600880"	252.038128	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K+HCOOH"	84.968628
"1426538"	282.069638	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+CF3COOH"	115.000138
"1151361"	146.081851	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+3ACN+2H"	125.094202
"1699818"	299.096185	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+NH4+CF3COOH"	132.026685
"1646405"	304.05158	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na+CF3COOH"	136.98208
"1580962"	320.02552	"C16396"	"24-Diamino-6-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K+CF3COOH"	152.95602
"801973"	167.0695	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M"	0
"975021"	148.05111	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H2O-H"	-19.01839
"68731"	110.372390666667	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-3H"	-3.021828
"509384"	166.062224	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-3H"	-3.021828
"887185"	54.6825573333333	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-3H"	-3.021828
"9043"	166.062224	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H"	-2.014552
"443134"	249.596974	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H"	-2.014552
"818383"	82.527474	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H"	-2.014552
"80562"	333.131724	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-H"	-1.007276
"524864"	500.201224	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-H"	-1.007276
"902665"	166.062224	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H"	-1.007276
"59227"	350.158271	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H+NH4"	16.019271
"495506"	517.227771	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H+NH4"	16.019271
"870028"	183.088771	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H+NH4"	16.019271
"37928"	355.113666	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H+Na"	20.974666
"475301"	522.183166	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H+Na"	20.974666
"853103"	188.044166	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H+Na"	20.974666
"1627014"	188.044166	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na-2H"	20.974666
"96982"	184.050563	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-H+Cl"	33.962126
"537633"	267.585313	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-H+Cl"	33.962126
"930055"	100.515813	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+Cl"	33.962126
"279195"	369.108402	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Cl"	34.969402
"673067"	536.177902	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+Cl"	34.969402
"1285471"	202.038902	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl"	34.969402
"28758"	371.087606	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M-2H+K"	36.948606
"464311"	538.157106	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M-2H+K"	36.948606
"842112"	204.018106	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-2H+K"	36.948606
"1564508"	204.018106	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K-2H"	36.948606
"954577"	212.067694	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+HCOOH"	44.998194
"375351"	379.137201	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+HCOOH-H"	44.998201
"358749"	393.152851	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Hac-H"	59.013851
"1506849"	226.083351	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Hac-H"	59.013851
"970864"	234.049651	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+NaCOOH"	66.980151
"123049"	202.038902	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2Cl"	69.938804
"558240"	285.573652	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2Cl"	69.938804
"1028133"	118.504152	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2Cl"	69.938804
"1249900"	245.988385	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Br"	78.918885
"1315628"	248.044372	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl+HCOOH"	80.974872
"1330938"	270.026329	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl+NaCOOH"	102.956829
"919810"	280.055086	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M-H+CF3COOH"	112.985586
"1299798"	316.031764	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Cl+CF3COOH"	148.962264
"1372490"	132.056824	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H-2H2O"	-35.012676
"1387800"	150.0668	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H-H2O"	-17.0027
"286394"	335.146276	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H"	1.007276
"678455"	502.215776	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H"	1.007276
"1353342"	168.076776	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H"	1.007276
"135715"	168.076776	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2H"	2.014552
"574182"	251.611526	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2H"	2.014552
"1042979"	84.542026	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2H"	2.014552
"210880"	112.386942666667	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+3H"	3.021828
"651536"	168.076776	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+3H"	3.021828
"1168569"	56.6971093333333	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+3H"	3.021828
"432936"	352.172823	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+NH4"	18.033823
"791742"	519.242323	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+NH4"	18.033823
"1684063"	185.103323	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+NH4"	18.033823
"333073"	176.5900495	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H+NH4"	19.041099
"727682"	260.1247995	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H+NH4"	19.041099
"1477493"	93.0552995	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+NH4"	19.041099
"393621"	357.128218	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Na"	22.989218
"756074"	524.197718	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+Na"	22.989218
"1607090"	190.058718	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na"	22.989218
"318220"	179.067747	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H+Na"	23.996494
"709911"	262.602497	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H+Na"	23.996494
"1464823"	95.532997	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+Na"	23.996494
"1056246"	64.0244233333333	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2H+Na"	25.00377
"1269229"	200.102986	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+CH3OH+H"	33.033486
"380148"	373.102158	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+K"	38.963158
"742603"	540.171658	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+K"	38.963158
"1543198"	206.032658	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K"	38.963158
"302562"	187.054717	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+H+K"	39.970434
"695346"	270.589467	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+H+K"	39.970434
"1452085"	103.519967	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+K"	39.970434
"243966"	376.172826	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+ACN+H"	42.033826
"1217767"	209.103326	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+ACN+H"	42.033826
"1198004"	105.055301	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+ACN+2H"	43.041102
"190874"	379.11016	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2Na-H"	44.97116
"631164"	546.17966	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2Na-H"	44.97116
"1135035"	212.04066	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2Na-H"	44.97116
"177597"	190.058718	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2Na"	45.978436
"616793"	273.593468	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2Na"	45.978436
"1117143"	106.523968	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2Na"	45.978436
"1408572"	71.3517373333333	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+2Na"	46.985712
"1440688"	214.082246	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+HCOOH"	47.012746
"229293"	195.09174	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+3H2O+2H"	56.04448
"1522458"	228.13429	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+IsoProp+H"	61.06479
"419229"	198.045688	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+Na+K"	61.952376
"781318"	281.580438	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+Na+K"	61.952376
"1671088"	114.510938	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na+K"	61.952376
"257616"	398.154768	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+ACN+Na"	64.015768
"1228137"	231.085268	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+ACN+Na"	64.015768
"1720304"	231.108793	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+NH4+HCOOH"	64.039293
"1185658"	78.6790513333333	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+3Na"	68.967654
"1654457"	236.064188	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na+HCOOH"	68.994688
"165691"	411.05804	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2K-H"	76.91904
"599784"	578.12754	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2K-H"	76.91904
"1086483"	243.98854	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2K-H"	76.91904
"147670"	206.032658	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"2M+2K"	77.926316
"583950"	289.567408	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"3M+2K"	77.926316
"1069933"	122.497908	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2K"	77.926316
"1101316"	246.003092	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2K+H"	78.933592
"1337703"	246.090707	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+DMSO+H"	79.021207
"1006959"	250.129876	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2ACN+H"	83.060376
"1525936"	251.123508	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+IsoProp+Na+H"	84.054008
"997736"	125.568576	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+2ACN+2H"	84.067652
"1600626"	252.038128	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K+HCOOH"	84.968628
"1426648"	282.069638	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+H+CF3COOH"	115.000138
"1151471"	146.081851	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+3ACN+2H"	125.094202
"1699928"	299.096185	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+NH4+CF3COOH"	132.026685
"1643234"	304.05158	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+Na+CF3COOH"	136.98208
"1584352"	320.02552	"C16397"	"26-Diamino-4-nitrotoluene"	"C7H9N3O2"	"167.0695"	"M+K+CF3COOH"	152.95602
"804878"	152.0586	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M"	0
"975859"	133.04021	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-H2O-H"	-19.01839
"67748"	100.365124	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M-3H"	-3.021828
"508401"	151.051324	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M-3H"	-3.021828
"887295"	49.678924	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-3H"	-3.021828
"9153"	151.051324	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M-2H"	-2.014552
"443608"	227.080624	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M-2H"	-2.014552
"818250"	75.022024	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-2H"	-2.014552
"80429"	303.109924	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M-H"	-1.007276
"526067"	455.168524	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M-H"	-1.007276
"902775"	151.051324	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-H"	-1.007276
"59337"	320.136471	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M-2H+NH4"	16.019271
"494523"	472.195071	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M-2H+NH4"	16.019271
"870138"	168.077871	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-2H+NH4"	16.019271
"38038"	325.091866	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M-2H+Na"	20.974666
"481972"	477.150466	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M-2H+Na"	20.974666
"856493"	173.033266	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-2H+Na"	20.974666
"1626031"	173.033266	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Na-2H"	20.974666
"100372"	169.039663	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M-H+Cl"	33.962126
"537015"	245.068963	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M-H+Cl"	33.962126
"929437"	93.010363	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-H+Cl"	33.962126
"279304"	339.086602	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+Cl"	34.969402
"672084"	491.145202	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+Cl"	34.969402
"1286674"	187.028002	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Cl"	34.969402
"27046"	341.065806	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M-2H+K"	36.948606
"464422"	493.124406	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M-2H+K"	36.948606
"841129"	189.007206	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-2H+K"	36.948606
"1564618"	189.007206	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+K-2H"	36.948606
"952500"	197.056794	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-H+HCOOH"	44.998194
"374368"	349.115401	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+HCOOH-H"	44.998201
"357155"	363.131051	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+Hac-H"	59.013851
"1505259"	211.072451	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Hac-H"	59.013851
"972067"	219.038751	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-H+NaCOOH"	66.980151
"120972"	187.028002	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+2Cl"	69.938804
"553245"	263.057302	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+2Cl"	69.938804
"1028243"	110.998702	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2Cl"	69.938804
"1246730"	230.977485	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Br"	78.918885
"1314645"	233.033472	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Cl+HCOOH"	80.974872
"1331048"	255.015429	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Cl+NaCOOH"	102.956829
"919920"	265.044186	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M-H+CF3COOH"	112.985586
"1298814"	301.020864	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Cl+CF3COOH"	148.962264
"1372600"	117.045924	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H-2H2O"	-35.012676
"1386086"	135.0559	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H-H2O"	-17.0027
"289784"	305.124476	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+H"	1.007276
"680024"	457.183076	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+H"	1.007276
"1353452"	153.065876	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H"	1.007276
"133639"	153.065876	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+2H"	2.014552
"572105"	229.095176	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+2H"	2.014552
"1039080"	77.036576	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2H"	2.014552
"205645"	102.379676	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+3H"	3.021828
"651646"	153.065876	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+3H"	3.021828
"1167586"	51.693476	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+3H"	3.021828
"431953"	322.151023	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+NH4"	18.033823
"790029"	474.209623	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+NH4"	18.033823
"1685999"	170.092423	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+NH4"	18.033823
"336463"	161.5791495	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+H+NH4"	19.041099
"731072"	237.6084495	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+H+NH4"	19.041099
"1478332"	85.5498495	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H+NH4"	19.041099
"395187"	327.106418	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+Na"	22.989218
"758008"	479.165018	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+Na"	22.989218
"1606106"	175.047818	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Na"	22.989218
"320516"	164.056847	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+H+Na"	23.996494
"710750"	240.086147	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+H+Na"	23.996494
"1465662"	88.027547	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H+Na"	23.996494
"1057815"	59.02079	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2H+Na"	25.00377
"1268245"	185.092086	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+CH3OH+H"	33.033486
"382446"	343.080358	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+K"	38.963158
"743442"	495.138958	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+K"	38.963158
"1543673"	191.021758	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+K"	38.963158
"305952"	172.043817	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+H+K"	39.970434
"696913"	248.073117	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+H+K"	39.970434
"1453286"	96.014517	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H+K"	39.970434
"244073"	346.151026	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+ACN+H"	42.033826
"1216784"	194.092426	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+ACN+H"	42.033826
"1201760"	97.549851	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+ACN+2H"	43.041102
"190983"	349.08836	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+2Na-H"	44.97116
"629815"	501.14696	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+2Na-H"	44.97116
"1134416"	197.02976	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2Na-H"	44.97116
"175883"	175.047818	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+2Na"	45.978436
"615079"	251.077118	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+2Na"	45.978436
"1116769"	99.018518	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2Na"	45.978436
"1405401"	66.348104	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H+2Na"	46.985712
"1440798"	199.071346	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H+HCOOH"	47.012746
"229403"	180.08084	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+3H2O+2H"	56.04448
"1514184"	213.12339	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+IsoProp+H"	61.06479
"420431"	183.034788	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+Na+K"	61.952376
"781428"	259.064088	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+Na+K"	61.952376
"1671198"	107.005488	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Na+K"	61.952376
"259913"	368.132968	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+ACN+Na"	64.015768
"1231528"	216.074368	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+ACN+Na"	64.015768
"1722600"	216.097893	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+NH4+HCOOH"	64.039293
"1183581"	73.675418	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+3Na"	68.967654
"1653473"	221.053288	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Na+HCOOH"	68.994688
"165801"	381.03624	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+2K-H"	76.91904
"602081"	533.09484	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+2K-H"	76.91904
"1087686"	228.97764	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2K-H"	76.91904
"146687"	191.021758	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"2M+2K"	77.926316
"583695"	267.051058	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"3M+2K"	77.926316
"1074053"	114.992458	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2K"	77.926316
"1102519"	230.992192	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2K+H"	78.933592
"1337206"	231.079807	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+DMSO+H"	79.021207
"1007796"	235.118976	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2ACN+H"	83.060376
"1525926"	236.112608	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+IsoProp+Na+H"	84.054008
"993465"	118.063126	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+2ACN+2H"	84.067652
"1600736"	237.027228	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+K+HCOOH"	84.968628
"1425665"	267.058738	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+H+CF3COOH"	115.000138
"1154861"	138.576401	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+3ACN+2H"	125.094202
"1702225"	284.085285	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+NH4+CF3COOH"	132.026685
"1643344"	289.04068	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+Na+CF3COOH"	136.98208
"1584462"	305.01462	"C16398"	"2-Amino-4-nitrotoluene;5-Nitro-o-toluidine"	"C7H8N2O2"	"152.0586"	"M+K+CF3COOH"	152.95602
"802801"	153.0902	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M"	0
"976697"	134.07181	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-H2O-H"	-19.01839
"68951"	101.052857333333	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M-3H"	-3.021828
"509605"	152.082924	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M-3H"	-3.021828
"884124"	50.0227906666667	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-3H"	-3.021828
"4890"	152.082924	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M-2H"	-2.014552
"443353"	228.628024	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M-2H"	-2.014552
"817873"	75.537824	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-2H"	-2.014552
"78876"	305.173124	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M-H"	-1.007276
"518886"	458.263324	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M-H"	-1.007276
"898511"	152.082924	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-H"	-1.007276
"55073"	322.199671	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M-2H+NH4"	16.019271
"494633"	475.289871	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M-2H+NH4"	16.019271
"867696"	169.109471	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-2H+NH4"	16.019271
"34868"	327.155066	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M-2H+Na"	20.974666
"475521"	480.245266	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M-2H+Na"	20.974666
"850407"	174.064866	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-2H+Na"	20.974666
"1630514"	174.064866	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Na-2H"	20.974666
"100482"	170.071263	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M-H+Cl"	33.962126
"540040"	246.616363	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M-H+Cl"	33.962126
"932463"	93.526163	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-H+Cl"	33.962126
"279410"	341.149802	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+Cl"	34.969402
"672194"	494.240002	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+Cl"	34.969402
"1286784"	188.059602	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Cl"	34.969402
"27159"	343.129006	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M-2H+K"	36.948606
"464532"	496.219206	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M-2H+K"	36.948606
"844520"	190.038806	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-2H+K"	36.948606
"1565821"	190.038806	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+K-2H"	36.948606
"953704"	198.088394	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-H+HCOOH"	44.998194
"372291"	351.178601	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+HCOOH-H"	44.998201
"358358"	365.194251	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+Hac-H"	59.013851
"1505730"	212.104051	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Hac-H"	59.013851
"968897"	220.070351	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-H+NaCOOH"	66.980151
"121082"	188.059602	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+2Cl"	69.938804
"554814"	264.604702	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+2Cl"	69.938804
"1029447"	111.514502	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2Cl"	69.938804
"1247204"	232.009085	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Br"	78.918885
"1314755"	234.065072	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Cl+HCOOH"	80.974872
"1330064"	256.047029	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Cl+NaCOOH"	102.956829
"921123"	266.075786	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M-H+CF3COOH"	112.985586
"1295643"	302.052464	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Cl+CF3COOH"	148.962264
"1375992"	118.077524	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H-2H2O"	-35.012676
"1385103"	136.0875	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H-H2O"	-17.0027
"289894"	307.187676	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+H"	1.007276
"676849"	460.277876	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+H"	1.007276
"1351616"	154.097476	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H"	1.007276
"130468"	154.097476	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+2H"	2.014552
"568326"	230.642576	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+2H"	2.014552
"1043201"	77.552376	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2H"	2.014552
"208914"	103.067409333333	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+3H"	3.021828
"651757"	154.097476	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+3H"	3.021828
"1168788"	52.0373426666667	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+3H"	3.021828
"434249"	324.214223	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+NH4"	18.033823
"793056"	477.304423	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+NH4"	18.033823
"1688295"	171.124023	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+NH4"	18.033823
"337667"	162.6107495	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+H+NH4"	19.041099
"731183"	239.1558495	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+H+NH4"	19.041099
"1477125"	86.0656495	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H+NH4"	19.041099
"395055"	329.169618	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+Na"	22.989218
"757025"	482.259818	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+Na"	22.989218
"1609497"	176.079418	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Na"	22.989218
"319533"	165.088447	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+H+Na"	23.996494
"713047"	241.633547	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+H+Na"	23.996494
"1464680"	88.543347	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H+Na"	23.996494
"1057925"	59.3646566666667	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2H+Na"	25.00377
"1267260"	186.123686	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+CH3OH+H"	33.033486
"385836"	345.143558	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+K"	38.963158
"746831"	498.233758	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+K"	38.963158
"1543419"	192.053358	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+K"	38.963158
"306061"	173.075417	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+H+K"	39.970434
"696295"	249.620517	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+H+K"	39.970434
"1452304"	96.530317	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H+K"	39.970434
"243091"	348.214226	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+ACN+H"	42.033826
"1217987"	195.124026	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+ACN+H"	42.033826
"1202963"	98.065651	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+ACN+2H"	43.041102
"200207"	351.15156	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+2Na-H"	44.97116
"631019"	504.24176	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+2Na-H"	44.97116
"1135256"	198.06136	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2Na-H"	44.97116
"177450"	176.079418	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+2Na"	45.978436
"615554"	252.624518	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+2Na"	45.978436
"1118331"	99.534318	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2Na"	45.978436
"1402231"	66.6919706666667	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H+2Na"	46.985712
"1436535"	200.102946	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H+HCOOH"	47.012746
"224408"	181.11244	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+3H2O+2H"	56.04448
"1511012"	214.15499	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+IsoProp+H"	61.06479
"412887"	184.066388	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+Na+K"	61.952376
"776069"	260.611488	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+Na+K"	61.952376
"1669484"	107.521288	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Na+K"	61.952376
"260023"	370.196168	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+ACN+Na"	64.015768
"1231638"	217.105968	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+ACN+Na"	64.015768
"1722710"	217.129493	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+NH4+HCOOH"	64.039293
"1185877"	74.0192846666667	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+3Na"	68.967654
"1654676"	222.084888	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Na+HCOOH"	68.994688
"167005"	383.09944	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+2K-H"	76.91904
"602191"	536.18964	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+2K-H"	76.91904
"1086703"	230.00924	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2K-H"	76.91904
"145704"	192.053358	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"2M+2K"	77.926316
"584534"	268.598458	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"3M+2K"	77.926316
"1074163"	115.508258	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2K"	77.926316
"1102630"	232.023792	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2K+H"	78.933592
"1339381"	232.111407	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+DMSO+H"	79.021207
"1008639"	236.150576	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2ACN+H"	83.060376
"1527131"	237.144208	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+IsoProp+Na+H"	84.054008
"991874"	118.578926	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+2ACN+2H"	84.067652
"1599021"	238.058828	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+K+HCOOH"	84.968628
"1421400"	268.090338	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+H+CF3COOH"	115.000138
"1154971"	139.092201	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+3ACN+2H"	125.094202
"1702335"	285.116885	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+NH4+CF3COOH"	132.026685
"1643454"	290.07228	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+Na+CF3COOH"	136.98208
"1584572"	306.04622	"C16399"	"24-Diamino-6-hydroxylaminotoluene"	"C7H11N3O"	"153.0902"	"M+K+CF3COOH"	152.95602
"801818"	137.0953	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M"	0
"975351"	118.07691	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-H2O-H"	-19.01839
"67968"	90.3895906666667	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M-3H"	-3.021828
"507529"	136.088024	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M-3H"	-3.021828
"882412"	44.6911573333333	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-3H"	-3.021828
"5000"	136.088024	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M-2H"	-2.014552
"442370"	204.635674	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M-2H"	-2.014552
"817983"	67.540374	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-2H"	-2.014552
"78621"	273.183324	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M-H"	-1.007276
"521183"	410.278624	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M-H"	-1.007276
"899715"	136.088024	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-H"	-1.007276
"57370"	290.209871	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M-2H+NH4"	16.019271
"493650"	427.305171	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M-2H+NH4"	16.019271
"868171"	153.114571	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-2H+NH4"	16.019271
"38258"	295.165266	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M-2H+Na"	20.974666
"478911"	432.260566	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M-2H+Na"	20.974666
"850517"	158.069966	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-2H+Na"	20.974666
"1629531"	158.069966	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Na-2H"	20.974666
"100592"	154.076363	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M-H+Cl"	33.962126
"536871"	222.624013	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M-H+Cl"	33.962126
"938771"	85.528713	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-H+Cl"	33.962126
"277697"	309.160002	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+Cl"	34.969402
"671210"	446.255302	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+Cl"	34.969402
"1284708"	172.064702	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Cl"	34.969402
"25079"	311.139206	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M-2H+K"	36.948606
"465735"	448.234506	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M-2H+K"	36.948606
"843536"	174.043906	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-2H+K"	36.948606
"1568117"	174.043906	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+K-2H"	36.948606
"952721"	182.093494	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-H+HCOOH"	44.998194
"367655"	319.188801	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+HCOOH-H"	44.998201
"358101"	333.204451	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+Hac-H"	59.013851
"1503655"	196.109151	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Hac-H"	59.013851
"969741"	204.075451	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-H+NaCOOH"	66.980151
"122288"	172.064702	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+2Cl"	69.938804
"559664"	240.612352	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+2Cl"	69.938804
"1029557"	103.517052	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2Cl"	69.938804
"1252416"	216.014185	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Br"	78.918885
"1312677"	218.070172	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Cl+HCOOH"	80.974872
"1330173"	240.052129	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Cl+NaCOOH"	102.956829
"923419"	250.080886	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M-H+CF3COOH"	112.985586
"1295753"	286.057564	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Cl+CF3COOH"	148.962264
"1373185"	102.082624	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H-2H2O"	-35.012676
"1383755"	120.0926	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H-H2O"	-17.0027
"285631"	275.197876	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+H"	1.007276
"676960"	412.293176	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+H"	1.007276
"1352945"	138.102576	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H"	1.007276
"130578"	138.102576	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+2H"	2.014552
"569044"	206.650226	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+2H"	2.014552
"1043312"	69.554926	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2H"	2.014552
"210118"	92.4041426666667	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+3H"	3.021828
"652961"	138.102576	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+3H"	3.021828
"1169993"	46.7057093333333	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+3H"	3.021828
"433267"	292.224423	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+NH4"	18.033823
"795354"	429.319723	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+NH4"	18.033823
"1690592"	155.129123	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+NH4"	18.033823
"336685"	146.6158495	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+H+NH4"	19.041099
"731293"	215.1634995	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+H+NH4"	19.041099
"1479647"	78.0681995	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H+NH4"	19.041099
"396138"	297.179818	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+Na"	22.989218
"760415"	434.275118	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+Na"	22.989218
"1609608"	160.084518	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Na"	22.989218
"319644"	149.093547	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+H+Na"	23.996494
"713157"	217.641197	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+H+Na"	23.996494
"1468070"	80.545897	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H+Na"	23.996494
"1060222"	54.0330233333333	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2H+Na"	25.00377
"1268463"	170.128786	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+CH3OH+H"	33.033486
"387042"	313.153758	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+K"	38.963158
"746943"	450.249058	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+K"	38.963158
"1548997"	176.058458	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+K"	38.963158
"306172"	157.080517	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+H+K"	39.970434
"695312"	225.628167	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+H+K"	39.970434
"1452414"	88.532867	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H+K"	39.970434
"245388"	316.224426	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+ACN+H"	42.033826
"1219191"	179.129126	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+ACN+H"	42.033826
"1199427"	90.068201	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+ACN+2H"	43.041102
"193755"	319.16176	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+2Na-H"	44.97116
"634411"	456.25706	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+2Na-H"	44.97116
"1136823"	182.06646	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2Na-H"	44.97116
"177926"	160.084518	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+2Na"	45.978436
"616391"	228.632168	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+2Na"	45.978436
"1116373"	91.536868	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2Na"	45.978436
"1399539"	61.3603373333333	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H+2Na"	46.985712
"1430439"	184.108046	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H+HCOOH"	47.012746
"223421"	165.11754	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+3H2O+2H"	56.04448
"1512217"	198.16009	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+IsoProp+H"	61.06479
"415184"	168.071488	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+Na+K"	61.952376
"773992"	236.619138	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+Na+K"	61.952376
"1668501"	99.523838	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Na+K"	61.952376
"259039"	338.206368	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+ACN+Na"	64.015768
"1228467"	201.111068	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+ACN+Na"	64.015768
"1716258"	201.134593	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+NH4+HCOOH"	64.039293
"1185988"	68.6876513333333	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+3Na"	68.967654
"1654786"	206.089988	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Na+HCOOH"	68.994688
"164928"	351.10964	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+2K-H"	76.91904
"601208"	488.20494	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+2K-H"	76.91904
"1086813"	214.01434	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2K-H"	76.91904
"144721"	176.058458	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"2M+2K"	77.926316
"584645"	244.606108	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"3M+2K"	77.926316
"1071357"	107.510808	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2K"	77.926316
"1102375"	216.028892	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2K+H"	78.933592
"1339126"	216.116507	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+DMSO+H"	79.021207
"1008749"	220.155676	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2ACN+H"	83.060376
"1528334"	221.149308	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+IsoProp+Na+H"	84.054008
"992227"	110.581476	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+2ACN+2H"	84.067652
"1591476"	222.063928	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+K+HCOOH"	84.968628
"1421510"	252.095438	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+H+CF3COOH"	115.000138
"1161277"	131.094751	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+3ACN+2H"	125.094202
"1702445"	269.121985	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+NH4+CF3COOH"	132.026685
"1643564"	274.07738	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+Na+CF3COOH"	136.98208
"1584682"	290.05132	"C16400"	"246-Triaminotoluene"	"C7H11N3"	"137.0953"	"M+K+CF3COOH"	152.95602
"811769"	140.0473	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M"	0
"982022"	121.02891	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-H2O-H"	-19.01839
"72453"	92.3575906666667	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M-3H"	-3.021828
"507639"	139.040024	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M-3H"	-3.021828
"883251"	45.6751573333333	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-3H"	-3.021828
"4381"	139.040024	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M-2H"	-2.014552
"442480"	209.063674	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M-2H"	-2.014552
"818093"	69.016374	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-2H"	-2.014552
"79180"	279.087324	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M-H"	-1.007276
"518578"	419.134624	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M-H"	-1.007276
"899825"	139.040024	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-H"	-1.007276
"55293"	296.113871	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M-2H+NH4"	16.019271
"489386"	436.161171	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M-2H+NH4"	16.019271
"867188"	156.066571	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-2H+NH4"	16.019271
"37274"	301.069266	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M-2H+Na"	20.974666
"473552"	441.116566	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M-2H+Na"	20.974666
"853542"	161.021966	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-2H+Na"	20.974666
"1625266"	161.021966	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Na-2H"	20.974666
"100701"	157.028363	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M-H+Cl"	33.962126
"537345"	227.052013	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M-H+Cl"	33.962126
"937060"	87.004713	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-H+Cl"	33.962126
"277443"	315.064002	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+Cl"	34.969402
"672049"	455.111302	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+Cl"	34.969402
"1280446"	175.016702	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Cl"	34.969402
"26281"	317.043206	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M-2H+K"	36.948606
"465845"	457.090506	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M-2H+K"	36.948606
"843646"	176.995906	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-2H+K"	36.948606
"1566041"	176.995906	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+K-2H"	36.948606
"950279"	185.045494	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-H+HCOOH"	44.998194
"364484"	325.092801	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+HCOOH-H"	44.998201
"357118"	339.108451	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+Hac-H"	59.013851
"1503765"	199.061151	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Hac-H"	59.013851
"970580"	207.027451	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-H+NaCOOH"	66.980151
"121672"	175.016702	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+2Cl"	69.938804
"560868"	245.040352	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+2Cl"	69.938804
"1033679"	104.993052	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2Cl"	69.938804
"1250342"	218.966185	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Br"	78.918885
"1310602"	221.022172	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Cl+HCOOH"	80.974872
"1327005"	243.004129	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Cl+NaCOOH"	102.956829
"920249"	253.032886	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M-H+CF3COOH"	112.985586
"1296957"	289.009564	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Cl+CF3COOH"	148.962264
"1376213"	105.034624	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H-2H2O"	-35.012676
"1389336"	123.0446	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H-H2O"	-17.0027
"292303"	281.101876	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+H"	1.007276
"680719"	421.149176	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+H"	1.007276
"1355608"	141.054576	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H"	1.007276
"136156"	141.054576	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+2H"	2.014552
"574622"	211.078226	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+2H"	2.014552
"1050715"	71.030926	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2H"	2.014552
"218496"	94.3721426666667	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+3H"	3.021828
"655260"	141.054576	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+3H"	3.021828
"1174479"	47.6897093333333	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+3H"	3.021828
"434470"	298.128423	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+NH4"	18.033823
"795465"	438.175723	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+NH4"	18.033823
"1691794"	158.081123	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+NH4"	18.033823
"341166"	149.5678495	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+H+NH4"	19.041099
"731403"	219.5914995	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+H+NH4"	19.041099
"1480852"	79.5441995	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H+NH4"	19.041099
"396247"	303.083818	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+Na"	22.989218
"760525"	443.131118	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+Na"	22.989218
"1610810"	163.036518	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Na"	22.989218
"319754"	152.045547	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+H+Na"	23.996494
"713267"	222.069197	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+H+Na"	23.996494
"1468178"	82.021897	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H+Na"	23.996494
"1057050"	55.0170233333333	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2H+Na"	25.00377
"1263104"	173.080786	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+CH3OH+H"	33.033486
"392134"	319.057758	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+K"	38.963158
"748145"	459.105058	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+K"	38.963158
"1552388"	179.010458	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+K"	38.963158
"307377"	160.032517	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+H+K"	39.970434
"694692"	230.056167	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+H+K"	39.970434
"1452525"	90.008867	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H+K"	39.970434
"242219"	322.128426	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+ACN+H"	42.033826
"1217115"	182.081126	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+ACN+H"	42.033826
"1199172"	91.544201	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+ACN+2H"	43.041102
"200064"	325.06576	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+2Na-H"	44.97116
"634155"	465.11306	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+2Na-H"	44.97116
"1134745"	185.01846	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2Na-H"	44.97116
"177307"	163.036518	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+2Na"	45.978436
"614681"	233.060168	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+2Na"	45.978436
"1119281"	93.012868	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2Na"	45.978436
"1399886"	62.3443373333333	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H+2Na"	46.985712
"1432002"	187.060046	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H+HCOOH"	47.012746
"221101"	168.06954	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+3H2O+2H"	56.04448
"1509772"	201.11209	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+IsoProp+H"	61.06479
"409826"	171.023488	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+Na+K"	61.952376
"771915"	241.047138	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+Na+K"	61.952376
"1667150"	100.999838	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Na+K"	61.952376
"262430"	344.110368	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+ACN+Na"	64.015768
"1237325"	204.063068	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+ACN+Na"	64.015768
"1721837"	204.086593	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+NH4+HCOOH"	64.039293
"1186098"	69.6716513333333	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+3Na"	68.967654
"1658178"	209.041988	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Na+HCOOH"	68.994688
"167225"	357.01364	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+2K-H"	76.91904
"602412"	497.06094	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+2K-H"	76.91904
"1089110"	216.96634	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2K-H"	76.91904
"145925"	179.010458	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"2M+2K"	77.926316
"586576"	249.034108	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"3M+2K"	77.926316
"1077663"	108.986808	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2K"	77.926316
"1106498"	218.980892	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2K+H"	78.933592
"1345071"	219.068507	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+DMSO+H"	79.021207
"1012508"	223.107676	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2ACN+H"	83.060376
"1530633"	224.101308	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+IsoProp+Na+H"	84.054008
"994893"	112.057476	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+2ACN+2H"	84.067652
"1599242"	225.015928	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+K+HCOOH"	84.968628
"1423807"	255.047438	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+H+CF3COOH"	115.000138
"1155190"	132.570751	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+3ACN+2H"	125.094202
"1709116"	272.073985	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+NH4+CF3COOH"	132.026685
"1646955"	277.02938	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+Na+CF3COOH"	136.98208
"1578231"	293.00332	"C16401"	"246-Trihydroxytoluene;2-Methylphloroglucinol"	"C7H8O3"	"140.0473"	"M+K+CF3COOH"	152.95602
"811879"	199.0593	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M"	0
"982131"	180.04091	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-H2O-H"	-19.01839
"75843"	131.698924	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M-3H"	-3.021828
"509936"	198.052024	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M-3H"	-3.021828
"884455"	65.345824	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-3H"	-3.021828
"7407"	198.052024	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M-2H"	-2.014552
"444777"	297.581674	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M-2H"	-2.014552
"821486"	98.522374	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-2H"	-2.014552
"81477"	397.111324	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M-H"	-1.007276
"522134"	596.170624	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M-H"	-1.007276
"899935"	198.052024	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-H"	-1.007276
"55403"	414.137871	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M-2H+NH4"	16.019271
"492776"	613.197171	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M-2H+NH4"	16.019271
"870577"	215.078571	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-2H+NH4"	16.019271
"35197"	419.093266	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M-2H+Na"	20.974666
"475850"	618.152566	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M-2H+Na"	20.974666
"850373"	220.033966	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-2H+Na"	20.974666
"1625376"	220.033966	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Na-2H"	20.974666
"109399"	216.040363	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M-H+Cl"	33.962126
"542558"	315.570013	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M-H+Cl"	33.962126
"939356"	116.510713	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-H+Cl"	33.962126
"275731"	433.088002	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+Cl"	34.969402
"669247"	632.147302	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+Cl"	34.969402
"1279828"	234.028702	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Cl"	34.969402
"25299"	435.067206	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M-2H+K"	36.948606
"467049"	634.126506	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M-2H+K"	36.948606
"847037"	236.007906	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-2H+K"	36.948606
"1568337"	236.007906	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+K-2H"	36.948606
"951119"	244.057494	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-H+HCOOH"	44.998194
"369333"	443.116801	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+HCOOH-H"	44.998201
"356136"	457.132451	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+Hac-H"	59.013851
"1503512"	258.073151	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Hac-H"	59.013851
"969960"	266.039451	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-H+NaCOOH"	66.980151
"123239"	234.028702	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+2Cl"	69.938804
"557696"	333.558352	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+2Cl"	69.938804
"1032694"	134.499052	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2Cl"	69.938804
"1252274"	277.978185	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Br"	78.918885
"1310711"	280.034172	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Cl+HCOOH"	80.974872
"1328213"	302.016129	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Cl+NaCOOH"	102.956829
"924738"	312.044886	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M-H+CF3COOH"	112.985586
"1297072"	348.021564	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Cl+CF3COOH"	148.962264
"1377422"	164.046624	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H-2H2O"	-35.012676
"1386896"	182.0566	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H-H2O"	-17.0027
"286947"	399.125876	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+H"	1.007276
"683016"	598.185176	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+H"	1.007276
"1356084"	200.066576	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H"	1.007276
"140641"	200.066576	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+2H"	2.014552
"573639"	299.596226	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+2H"	2.014552
"1052533"	100.536926	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2H"	2.014552
"219698"	133.713476	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+3H"	3.021828
"659016"	200.066576	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+3H"	3.021828
"1177021"	67.360376	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+3H"	3.021828
"437861"	416.152423	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+NH4"	18.033823
"796670"	615.211723	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+NH4"	18.033823
"1693000"	217.093123	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+NH4"	18.033823
"340185"	208.5798495	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+H+NH4"	19.041099
"734793"	308.1094995	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+H+NH4"	19.041099
"1484244"	109.0501995	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H+NH4"	19.041099
"402919"	421.107818	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+Na"	22.989218
"762822"	620.167118	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+Na"	22.989218
"1612014"	222.048518	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Na"	22.989218
"323143"	211.057547	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+H+Na"	23.996494
"715563"	310.587197	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+H+Na"	23.996494
"1470475"	111.527897	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H+Na"	23.996494
"1059347"	74.68769	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2H+Na"	25.00377
"1265401"	232.092786	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+CH3OH+H"	33.033486
"392493"	437.081758	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+K"	38.963158
"753726"	636.141058	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+K"	38.963158
"1551409"	238.022458	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+K"	38.963158
"309676"	219.044517	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+H+K"	39.970434
"699911"	318.574167	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+H+K"	39.970434
"1458104"	119.514867	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H+K"	39.970434
"245610"	440.152426	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+ACN+H"	42.033826
"1219412"	241.093126	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+ACN+H"	42.033826
"1205482"	121.050201	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+ACN+2H"	43.041102
"197258"	443.08976	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+2Na-H"	44.97116
"634995"	642.14906	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+2Na-H"	44.97116
"1137043"	244.03046	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2Na-H"	44.97116
"175594"	222.048518	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+2Na"	45.978436
"613331"	321.578168	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+2Na"	45.978436
"1117935"	122.518868	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2Na"	45.978436
"1399268"	82.015004	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H+2Na"	46.985712
"1430537"	246.072046	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H+HCOOH"	47.012746
"220968"	227.08154	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+3H2O+2H"	56.04448
"1511344"	260.12409	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+IsoProp+H"	61.06479
"412123"	230.035488	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+Na+K"	61.952376
"772025"	329.565138	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+Na+K"	61.952376
"1668724"	130.505838	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Na+K"	61.952376
"266191"	462.134368	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+ACN+Na"	64.015768
"1237435"	263.075068	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+ACN+Na"	64.015768
"1721947"	263.098593	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+NH4+HCOOH"	64.039293
"1186208"	89.342318	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+3Na"	68.967654
"1656101"	268.053988	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Na+HCOOH"	68.994688
"168428"	475.03764	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+2K-H"	76.91904
"605803"	674.09694	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+2K-H"	76.91904
"1089221"	275.97834	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2K-H"	76.91904
"144943"	238.022458	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"2M+2K"	77.926316
"584499"	337.552108	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"3M+2K"	77.926316
"1077774"	138.492808	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2K"	77.926316
"1106608"	277.992892	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2K+H"	78.933592
"1342996"	278.080507	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+DMSO+H"	79.021207
"1012618"	282.119676	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2ACN+H"	83.060376
"1534025"	283.113308	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+IsoProp+Na+H"	84.054008
"998285"	141.563476	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+2ACN+2H"	84.067652
"1598264"	284.027928	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+K+HCOOH"	84.968628
"1428294"	314.059438	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+H+CF3COOH"	115.000138
"1155300"	162.076751	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+3ACN+2H"	125.094202
"1700478"	331.085985	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+NH4+CF3COOH"	132.026685
"1647065"	336.04138	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+Na+CF3COOH"	136.98208
"1581621"	352.01532	"C16402"	"24-Dihydroxylamino-6-nitrotoluene"	"C7H9N3O4"	"199.0593"	"M+K+CF3COOH"	152.95602
"804334"	183.0644	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M"	0
"981147"	164.04601	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-H2O-H"	-19.01839
"72672"	121.035657333333	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M-3H"	-3.021828
"507858"	182.057124	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M-3H"	-3.021828
"882377"	60.0141906666667	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-3H"	-3.021828
"4236"	182.057124	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M-2H"	-2.014552
"441971"	273.589324	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M-2H"	-2.014552
"818313"	90.524924	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-2H"	-2.014552
"79642"	365.121524	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M-H"	-1.007276
"521145"	548.185924	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M-H"	-1.007276
"897852"	182.057124	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-H"	-1.007276
"48096"	382.148071	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M-2H+NH4"	16.019271
"490696"	565.212471	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M-2H+NH4"	16.019271
"867405"	199.083671	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-2H+NH4"	16.019271
"35307"	387.103466	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M-2H+Na"	20.974666
"475960"	570.167866	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M-2H+Na"	20.974666
"850483"	204.039066	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-2H+Na"	20.974666
"1624393"	204.039066	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Na-2H"	20.974666
"107481"	200.045463	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M-H+Cl"	33.962126
"540481"	291.577663	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M-H+Cl"	33.962126
"939466"	108.513263	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-H+Cl"	33.962126
"278759"	401.098202	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+Cl"	34.969402
"669356"	584.162602	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+Cl"	34.969402
"1282852"	218.033802	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Cl"	34.969402
"24315"	403.077406	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M-2H+K"	36.948606
"470322"	586.141806	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M-2H+K"	36.948606
"847512"	220.013006	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-2H+K"	36.948606
"1568448"	220.013006	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+K-2H"	36.948606
"954144"	228.062594	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-H+HCOOH"	44.998194
"373453"	411.127001	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+HCOOH-H"	44.998201
"358068"	425.142651	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+Hac-H"	59.013851
"1505809"	242.078251	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Hac-H"	59.013851
"967151"	250.044551	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-H+NaCOOH"	66.980151
"120068"	218.033802	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+2Cl"	69.938804
"557806"	309.566002	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+2Cl"	69.938804
"1033898"	126.501602	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2Cl"	69.938804
"1253842"	261.983285	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Br"	78.918885
"1311915"	264.039272	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Cl+HCOOH"	80.974872
"1326129"	286.021229	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Cl+NaCOOH"	102.956829
"918283"	296.049986	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M-H+CF3COOH"	112.985586
"1299366"	332.026664	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Cl+CF3COOH"	148.962264
"1373154"	148.051724	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H-2H2O"	-35.012676
"1392839"	166.0617	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H-H2O"	-17.0027
"290336"	367.136076	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+H"	1.007276
"677653"	550.200476	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+H"	1.007276
"1351445"	184.071676	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H"	1.007276
"134187"	184.071676	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+2H"	2.014552
"566819"	275.603876	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+2H"	2.014552
"1052680"	92.539476	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2H"	2.014552
"219811"	123.050209333333	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+3H"	3.021828
"658762"	184.071676	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+3H"	3.021828
"1178392"	62.0287426666667	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+3H"	3.021828
"437971"	384.162623	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+NH4"	18.033823
"800059"	567.227023	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+NH4"	18.033823
"1693110"	201.098223	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+NH4"	18.033823
"341388"	192.5849495	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+H+NH4"	19.041099
"732717"	284.1171495	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+H+NH4"	19.041099
"1485447"	101.0527495	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H+NH4"	19.041099
"403030"	389.118018	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+Na"	22.989218
"764026"	572.182418	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+Na"	22.989218
"1614311"	206.053618	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Na"	22.989218
"325440"	195.062647	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+H+Na"	23.996494
"717860"	286.594847	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+H+Na"	23.996494
"1471679"	103.530447	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H+Na"	23.996494
"1062739"	69.3560566666667	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2H+Na"	25.00377
"1266605"	216.097886	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+CH3OH+H"	33.033486
"392727"	405.091958	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+K"	38.963158
"754000"	588.156358	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+K"	38.963158
"1555447"	222.027558	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+K"	38.963158
"308693"	203.049617	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+H+K"	39.970434
"700022"	294.581817	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+H+K"	39.970434
"1452746"	111.517417	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H+K"	39.970434
"244628"	408.162626	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+ACN+H"	42.033826
"1219522"	225.098226	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+ACN+H"	42.033826
"1205592"	113.052751	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+ACN+2H"	43.041102
"196274"	411.09996	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+2Na-H"	44.97116
"636928"	594.16436	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+2Na-H"	44.97116
"1137153"	228.03556	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2Na-H"	44.97116
"175827"	206.053618	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+2Na"	45.978436
"615633"	297.585818	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+2Na"	45.978436
"1117436"	114.521418	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2Na"	45.978436
"1399621"	76.6833706666667	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H+2Na"	46.985712
"1432963"	230.077146	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H+HCOOH"	47.012746
"220347"	211.08664	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+3H2O+2H"	56.04448
"1512911"	244.12919	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+IsoProp+H"	61.06479
"411139"	214.040588	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+Na+K"	61.952376
"770306"	305.572788	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+Na+K"	61.952376
"1669562"	122.508388	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Na+K"	61.952376
"266949"	430.144568	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+ACN+Na"	64.015768
"1237545"	247.080168	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+ACN+Na"	64.015768
"1723150"	247.103693	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+NH4+HCOOH"	64.039293
"1186318"	84.0106846666667	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+3Na"	68.967654
"1659490"	252.059088	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Na+HCOOH"	68.994688
"164164"	443.04784	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+2K-H"	76.91904
"603724"	626.11224	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+2K-H"	76.91904
"1090425"	259.98344	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2K-H"	76.91904
"145052"	222.027558	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"2M+2K"	77.926316
"584245"	313.559758	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"3M+2K"	77.926316
"1074597"	130.495358	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2K"	77.926316
"1107811"	261.997992	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2K+H"	78.933592
"1343105"	262.085607	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+DMSO+H"	79.021207
"1012726"	266.124776	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2ACN+H"	83.060376
"1536322"	267.118408	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+IsoProp+Na+H"	84.054008
"994020"	133.566026	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+2ACN+2H"	84.067652
"1598373"	268.033028	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+K+HCOOH"	84.968628
"1428403"	298.064538	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+H+CF3COOH"	115.000138
"1155410"	154.079301	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+3ACN+2H"	125.094202
"1702775"	315.091085	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+NH4+CF3COOH"	132.026685
"1647175"	320.04648	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+Na+CF3COOH"	136.98208
"1581731"	336.02042	"C16403"	"4-Amino-2-hydroxylamino-6-nitrotoluene"	"C7H9N3O3"	"183.0644"	"M+K+CF3COOH"	152.95602
"802622"	256.0736	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M"	0
"979071"	237.05521	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"71689"	169.708457333333	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"505782"	255.066324	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"881758"	84.3505906666667	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"4346"	255.066324	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"442081"	383.103124	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"817694"	127.029524	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"79510"	511.139924	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"519188"	767.213524	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"897353"	255.066324	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"49420"	528.166471	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"489713"	784.240071	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"865690"	272.092871	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"35416"	533.121866	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"473878"	789.195466	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"850592"	277.048266	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1624503"	277.048266	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"104311"	273.054663	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"540591"	401.091463	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"938483"	145.017863	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"274859"	547.116602	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"667279"	803.190202	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1282961"	291.043002	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"24424"	549.095806	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"468359"	805.169406	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"846892"	293.022206	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1568557"	293.022206	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"957537"	301.071794	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"375386"	557.145401	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"357814"	571.161051	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1506283"	315.087451	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"970177"	323.053751	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"120540"	291.043002	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"556821"	419.079802	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1032915"	163.006202	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1249576"	334.992485	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1315306"	337.048472	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1329521"	359.030429	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"922403"	369.059186	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1296196"	405.035864	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1376543"	221.060924	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1391853"	239.0709	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"289352"	513.154476	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"678127"	769.228076	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1351598"	257.080876	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"126645"	257.080876	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"568390"	385.117676	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1051046"	129.044076	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"218582"	171.723009333333	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"656684"	257.080876	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1176999"	86.3651426666667	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"435894"	530.181023	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"797983"	786.254623	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1695776"	274.107423	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"342592"	265.5941495	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"735743"	393.6309495	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1487743"	137.5573495	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"403141"	535.136418	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"764137"	791.210018	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1615151"	279.062818	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"325551"	268.071847	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"716149"	396.108647	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1470696"	140.035047	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1061756"	93.6924566666667	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1267808"	289.107086	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"392508"	551.110358	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"753582"	807.183958	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1553815"	295.036758	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"309895"	276.058817	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"700130"	404.095617	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1452856"	148.022017	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"244737"	554.181026	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1218537"	298.107426	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1207404"	149.557351	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"198572"	557.11836	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"637039"	813.19196	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1136170"	301.04476	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"178368"	279.062818	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"616107"	407.099618	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1122529"	151.026018	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1399976"	101.019770666667	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1432709"	303.086346	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"221430"	284.09584	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1512657"	317.13839	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"411249"	287.049788	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"770416"	415.086588	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1669307"	159.012988	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"265919"	576.162968	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1239721"	320.089368	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1724354"	320.112893	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1186428"	108.347084666667	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1655226"	325.068288	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"163180"	589.06624	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"600185"	845.13984	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1089437"	332.99264	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"145161"	295.036758	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"583991"	423.073558	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1071419"	166.999958	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1106828"	335.007192	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1343215"	335.094807	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1012836"	339.133976	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1535339"	340.127608	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"994130"	170.070626	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1597390"	341.042228	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1428513"	371.073738	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1155520"	190.583901	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1700698"	388.100285	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1647285"	393.05568	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1581841"	409.02962	"C16404"	"Pinocembrin chalcone"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"802368"	302.079	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M"	0
"979181"	283.06061	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-H2O-H"	-19.01839
"70706"	200.378724	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M-3H"	-3.021828
"506985"	301.071724	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M-3H"	-3.021828
"881504"	99.685724	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-3H"	-3.021828
"4456"	301.071724	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M-2H"	-2.014552
"440733"	452.111224	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M-2H"	-2.014552
"818533"	150.032224	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-2H"	-2.014552
"80713"	603.150724	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M-H"	-1.007276
"521364"	905.229724	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M-H"	-1.007276
"899166"	301.071724	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-H"	-1.007276
"52449"	620.177271	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M-2H+NH4"	16.019271
"496382"	922.256271	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M-2H+NH4"	16.019271
"868717"	318.098271	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-2H+NH4"	16.019271
"42085"	625.132666	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M-2H+Na"	20.974666
"476178"	927.211666	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M-2H+Na"	20.974666
"851795"	323.053666	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-2H+Na"	20.974666
"1622426"	323.053666	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Na-2H"	20.974666
"97861"	319.060063	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M-H+Cl"	33.962126
"537421"	470.099563	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M-H+Cl"	33.962126
"935311"	168.020563	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-H+Cl"	33.962126
"274969"	639.127402	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+Cl"	34.969402
"666296"	941.206402	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+Cl"	34.969402
"1281250"	337.048402	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Cl"	34.969402
"24535"	641.106606	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M-2H+K"	36.948606
"466283"	943.185606	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M-2H+K"	36.948606
"847367"	339.027606	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-2H+K"	36.948606
"1567574"	339.027606	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+K-2H"	36.948606
"953270"	347.077194	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-H+HCOOH"	44.998194
"372580"	649.156201	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+HCOOH-H"	44.998201
"357559"	663.171851	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+Hac-H"	59.013851
"1505297"	361.092851	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Hac-H"	59.013851
"968464"	369.059151	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-H+NaCOOH"	66.980151
"118463"	337.048402	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+2Cl"	69.938804
"558025"	488.087902	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+2Cl"	69.938804
"1033753"	186.008902	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2Cl"	69.938804
"1251509"	380.997885	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Br"	78.918885
"1316510"	383.053872	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Cl+HCOOH"	80.974872
"1330725"	405.035829	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Cl+NaCOOH"	102.956829
"925067"	415.064586	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M-H+CF3COOH"	112.985586
"1302503"	451.041264	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Cl+CF3COOH"	148.962264
"1375561"	267.066324	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H-2H2O"	-35.012676
"1391963"	285.0763	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H-H2O"	-17.0027
"290555"	605.165276	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+H"	1.007276
"680789"	907.244276	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+H"	1.007276
"1356048"	303.086276	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H"	1.007276
"137690"	303.086276	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+2H"	2.014552
"575063"	454.125776	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+2H"	2.014552
"1046053"	152.046776	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2H"	2.014552
"218694"	202.393276	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+3H"	3.021828
"659108"	303.086276	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+3H"	3.021828
"1177841"	101.700276	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+3H"	3.021828
"437828"	622.191823	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+NH4"	18.033823
"800406"	924.270823	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+NH4"	18.033823
"1694424"	320.112823	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+NH4"	18.033823
"342341"	311.5995495	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+H+NH4"	19.041099
"735853"	462.6390495	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+H+NH4"	19.041099
"1486760"	160.5600495	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H+NH4"	19.041099
"405437"	627.147218	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+Na"	22.989218
"764246"	929.226218	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+Na"	22.989218
"1614533"	325.068218	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Na"	22.989218
"326634"	314.077247	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+H+Na"	23.996494
"717354"	465.116747	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+H+Na"	23.996494
"1470808"	163.037747	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H+Na"	23.996494
"1062960"	109.02759	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2H+Na"	25.00377
"1267918"	335.112486	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+CH3OH+H"	33.033486
"391486"	643.121158	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+K"	38.963158
"753209"	945.200158	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+K"	38.963158
"1553926"	341.042158	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+K"	38.963158
"309642"	322.064217	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+H+K"	39.970434
"703888"	473.103717	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+H+K"	39.970434
"1452966"	171.024717	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H+K"	39.970434
"243754"	646.191826	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+ACN+H"	42.033826
"1218648"	344.112826	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+ACN+H"	42.033826
"1207999"	172.560051	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+ACN+2H"	43.041102
"202815"	649.12916	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+2Na-H"	44.97116
"634963"	951.20816	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+2Na-H"	44.97116
"1139564"	347.05016	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2Na-H"	44.97116
"183948"	325.068218	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+2Na"	45.978436
"616947"	476.107718	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+2Na"	45.978436
"1116926"	174.028718	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2Na"	45.978436
"1399356"	116.354904	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H+2Na"	46.985712
"1432819"	349.091746	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H+HCOOH"	47.012746
"220241"	330.10124	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+3H2O+2H"	56.04448
"1512767"	363.14379	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+IsoProp+H"	61.06479
"414641"	333.055188	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+Na+K"	61.952376
"773448"	484.094688	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+Na+K"	61.952376
"1668689"	182.015688	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Na+K"	61.952376
"265057"	668.173768	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+ACN+Na"	64.015768
"1240561"	366.094768	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+ACN+Na"	64.015768
"1725557"	366.118293	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+NH4+HCOOH"	64.039293
"1185444"	123.682218	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+3Na"	68.967654
"1654243"	371.073688	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Na+HCOOH"	68.994688
"163290"	681.07704	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+2K-H"	76.91904
"599933"	983.15604	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+2K-H"	76.91904
"1089548"	378.99804	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2K-H"	76.91904
"146366"	341.042158	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"2M+2K"	77.926316
"589205"	492.081658	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"3M+2K"	77.926316
"1073717"	190.002658	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2K"	77.926316
"1104740"	381.012592	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2K+H"	78.933592
"1343325"	381.100207	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+DMSO+H"	79.021207
"1010760"	385.139376	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2ACN+H"	83.060376
"1535449"	386.133008	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+IsoProp+Na+H"	84.054008
"994240"	193.073326	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+2ACN+2H"	84.067652
"1600780"	387.047628	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+K+HCOOH"	84.968628
"1428623"	417.079138	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+H+CF3COOH"	115.000138
"1155630"	213.586601	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+3ACN+2H"	125.094202
"1700808"	434.105685	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+NH4+CF3COOH"	132.026685
"1647395"	439.06108	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+Na+CF3COOH"	136.98208
"1581951"	455.03502	"C16405"	"Homoeriodictyol chalcone"	"C16H14O6"	"302.079"	"M+K+CF3COOH"	152.95602
"802478"	434.1213	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M"	0
"979291"	415.10291	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-H2O-H"	-19.01839
"68629"	288.406924	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M-3H"	-3.021828
"506002"	433.114024	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M-3H"	-3.021828
"881614"	143.699824	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-3H"	-3.021828
"4566"	433.114024	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M-2H"	-2.014552
"443029"	650.174674	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M-2H"	-2.014552
"820830"	216.053374	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-2H"	-2.014552
"79971"	867.235324	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M-H"	-1.007276
"522568"	1301.356624	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M-H"	-1.007276
"898186"	433.114024	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-H"	-1.007276
"51466"	884.261871	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M-2H+NH4"	16.019271
"489934"	1318.383171	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M-2H+NH4"	16.019271
"872107"	450.140571	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-2H+NH4"	16.019271
"45110"	889.217266	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M-2H+Na"	20.974666
"479568"	1323.338566	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M-2H+Na"	20.974666
"854092"	455.095966	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-2H+Na"	20.974666
"1620348"	455.095966	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Na-2H"	20.974666
"96877"	451.102363	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M-H+Cl"	33.962126
"536438"	668.163013	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M-H+Cl"	33.962126
"933234"	234.041713	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-H+Cl"	33.962126
"272891"	903.212002	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+Cl"	34.969402
"664219"	1337.333302	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+Cl"	34.969402
"1280993"	469.090702	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Cl"	34.969402
"23551"	905.191206	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M-2H+K"	36.948606
"464205"	1339.312506	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M-2H+K"	36.948606
"846019"	471.069906	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-2H+K"	36.948606
"1568777"	471.069906	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+K-2H"	36.948606
"955201"	479.119494	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-H+HCOOH"	44.998194
"373419"	913.240801	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+HCOOH-H"	44.998201
"357304"	927.256451	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+Hac-H"	59.013851
"1505042"	493.135151	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Hac-H"	59.013851
"969664"	501.101451	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-H+NaCOOH"	66.980151
"120761"	469.090702	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+2Cl"	69.938804
"554122"	686.151352	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+2Cl"	69.938804
"1032404"	252.030052	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2Cl"	69.938804
"1253441"	513.040185	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Br"	78.918885
"1315527"	515.096172	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Cl+HCOOH"	80.974872
"1331564"	537.078129	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Cl+NaCOOH"	102.956829
"924083"	547.106886	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M-H+CF3COOH"	112.985586
"1296417"	583.083564	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Cl+CF3COOH"	148.962264
"1378951"	399.108624	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H-2H2O"	-35.012676
"1392073"	417.1186	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H-H2O"	-17.0027
"287386"	869.249876	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+H"	1.007276
"679805"	1303.371176	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+H"	1.007276
"1352140"	435.128576	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H"	1.007276
"132328"	435.128576	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+2H"	2.014552
"576266"	652.189226	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+2H"	2.014552
"1042876"	218.067926	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2H"	2.014552
"218683"	290.421476	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+3H"	3.021828
"655812"	435.128576	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+3H"	3.021828
"1175031"	145.714376	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+3H"	3.021828
"438303"	886.276423	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+NH4"	18.033823
"798935"	1320.397723	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+NH4"	18.033823
"1694534"	452.155123	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+NH4"	18.033823
"343543"	443.6418495	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+H+NH4"	19.041099
"736692"	660.7024995	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+H+NH4"	19.041099
"1486871"	226.5811995	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H+NH4"	19.041099
"404453"	891.231818	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+Na"	22.989218
"765449"	1325.353118	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+Na"	22.989218
"1616706"	457.110518	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Na"	22.989218
"328808"	446.119547	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+H+Na"	23.996494
"722084"	663.180197	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+H+Na"	23.996494
"1476269"	229.058897	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H+Na"	23.996494
"1067569"	153.04169	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2H+Na"	25.00377
"1270824"	467.154786	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+CH3OH+H"	33.033486
"391350"	907.205758	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+K"	38.963158
"752710"	1341.327058	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+K"	38.963158
"1553550"	473.084458	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+K"	38.963158
"310482"	454.106517	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+H+K"	39.970434
"702538"	671.167167	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+H+K"	39.970434
"1458911"	237.045867	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H+K"	39.970434
"249329"	910.276426	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+ACN+H"	42.033826
"1218757"	476.155126	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+ACN+H"	42.033826
"1208717"	238.581201	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+ACN+2H"	43.041102
"200980"	913.21376	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+2Na-H"	44.97116
"636167"	1347.33506	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+2Na-H"	44.97116
"1138581"	479.09246	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2Na-H"	44.97116
"178592"	457.110518	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+2Na"	45.978436
"614870"	674.171168	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+2Na"	45.978436
"1117282"	240.049868	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2Na"	45.978436
"1399711"	160.369004	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H+2Na"	46.985712
"1434022"	481.134046	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H+HCOOH"	47.012746
"221530"	462.14354	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+3H2O+2H"	56.04448
"1513970"	495.18609	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+IsoProp+H"	61.06479
"414751"	465.097488	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+Na+K"	61.952376
"774651"	682.158138	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+Na+K"	61.952376
"1669892"	248.036838	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Na+K"	61.952376
"264076"	932.258368	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+ACN+Na"	64.015768
"1239338"	498.137068	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+ACN+Na"	64.015768
"1726765"	498.160593	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+NH4+HCOOH"	64.039293
"1187741"	167.696318	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+3Na"	68.967654
"1656539"	503.115988	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Na+HCOOH"	68.994688
"160120"	945.16164	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+2K-H"	76.91904
"605146"	1379.28294	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+2K-H"	76.91904
"1089658"	511.04034	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2K-H"	76.91904
"154127"	473.084458	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"2M+2K"	77.926316
"588221"	690.145108	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"3M+2K"	77.926316
"1078202"	256.023808	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2K"	77.926316
"1102663"	513.054892	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2K+H"	78.933592
"1337228"	513.142507	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+DMSO+H"	79.021207
"1009777"	517.181676	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2ACN+H"	83.060376
"1533372"	518.175308	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+IsoProp+Na+H"	84.054008
"993257"	259.094476	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+2ACN+2H"	84.067652
"1591039"	519.089928	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+K+HCOOH"	84.968628
"1426547"	549.121438	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+H+CF3COOH"	115.000138
"1152459"	279.607751	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+3ACN+2H"	125.094202
"1703105"	566.147985	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+NH4+CF3COOH"	132.026685
"1647505"	571.10338	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+Na+CF3COOH"	136.98208
"1582061"	587.07732	"C16406"	"Phlorizin chalcone;Chalcone 2-O-glucoside"	"C21H22O10"	"434.1213"	"M+K+CF3COOH"	152.95602
"802588"	434.1213	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M"	0
"976121"	415.10291	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-H2O-H"	-19.01839
"69832"	288.406924	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M-3H"	-3.021828
"508298"	433.114024	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M-3H"	-3.021828
"881116"	143.699824	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-3H"	-3.021828
"6862"	433.114024	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M-2H"	-2.014552
"442046"	650.174674	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M-2H"	-2.014552
"823131"	216.053374	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-2H"	-2.014552
"83122"	867.235324	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M-H"	-1.007276
"520128"	1301.356624	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M-H"	-1.007276
"899391"	433.114024	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-H"	-1.007276
"51578"	884.261871	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M-2H+NH4"	16.019271
"490045"	1318.383171	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M-2H+NH4"	16.019271
"872218"	450.140571	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-2H+NH4"	16.019271
"33559"	889.217266	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M-2H+Na"	20.974666
"479681"	1323.338566	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M-2H+Na"	20.974666
"852016"	455.095966	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-2H+Na"	20.974666
"1619240"	455.095966	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Na-2H"	20.974666
"95892"	451.102363	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M-H+Cl"	33.962126
"538735"	668.163013	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M-H+Cl"	33.962126
"935531"	234.041713	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-H+Cl"	33.962126
"273000"	903.212002	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+Cl"	34.969402
"665423"	1337.333302	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+Cl"	34.969402
"1280013"	469.090702	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Cl"	34.969402
"23299"	905.191206	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M-2H+K"	36.948606
"469420"	1339.312506	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M-2H+K"	36.948606
"847954"	471.069906	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-2H+K"	36.948606
"1570349"	471.069906	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+K-2H"	36.948606
"957136"	479.119494	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-H+HCOOH"	44.998194
"375723"	913.240801	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+HCOOH-H"	44.998201
"359966"	927.256451	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+Hac-H"	59.013851
"1505517"	493.135151	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Hac-H"	59.013851
"971237"	501.101451	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-H+NaCOOH"	66.980151
"121601"	469.090702	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+2Cl"	69.938804
"561522"	686.151352	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+2Cl"	69.938804
"1024852"	252.030052	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2Cl"	69.938804
"1254280"	513.040185	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Br"	78.918885
"1314543"	515.096172	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Cl+HCOOH"	80.974872
"1329851"	537.078129	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Cl+NaCOOH"	102.956829
"919818"	547.106886	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M-H+CF3COOH"	112.985586
"1297620"	583.083564	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Cl+CF3COOH"	148.962264
"1380885"	399.108624	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H-2H2O"	-35.012676
"1396560"	417.1186	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H-H2O"	-17.0027
"297705"	869.249876	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+H"	1.007276
"684291"	1303.371176	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+H"	1.007276
"1351891"	435.128576	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H"	1.007276
"128428"	435.128576	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+2H"	2.014552
"566769"	652.189226	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+2H"	2.014552
"1040799"	218.067926	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2H"	2.014552
"214170"	290.421476	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+3H"	3.021828
"655557"	435.128576	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+3H"	3.021828
"1175141"	145.714376	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+3H"	3.021828
"435133"	886.276423	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+NH4"	18.033823
"795034"	1320.397723	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+NH4"	18.033823
"1693551"	452.155123	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+NH4"	18.033823
"341832"	443.6418495	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+H+NH4"	19.041099
"734252"	660.7024995	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+H+NH4"	19.041099
"1486980"	226.5811995	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H+NH4"	19.041099
"405658"	891.231818	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+Na"	22.989218
"766651"	1325.353118	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+Na"	22.989218
"1614751"	457.110518	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Na"	22.989218
"329044"	446.119547	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+H+Na"	23.996494
"722319"	663.180197	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+H+Na"	23.996494
"1474317"	229.058897	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H+Na"	23.996494
"1067808"	153.04169	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2H+Na"	25.00377
"1269232"	467.154786	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+CH3OH+H"	33.033486
"391823"	907.205758	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+K"	38.963158
"752454"	1341.327058	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+K"	38.963158
"1551588"	473.084458	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+K"	38.963158
"310224"	454.106517	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+H+K"	39.970434
"700457"	671.167167	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+H+K"	39.970434
"1449902"	237.045867	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H+K"	39.970434
"238141"	910.276426	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+ACN+H"	42.033826
"1212672"	476.155126	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+ACN+H"	42.033826
"1198378"	238.581201	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+ACN+2H"	43.041102
"191613"	913.21376	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+2Na-H"	44.97116
"632630"	1347.33506	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+2Na-H"	44.97116
"1132978"	479.09246	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2Na-H"	44.97116
"173353"	457.110518	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+2Na"	45.978436
"613643"	674.171168	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+2Na"	45.978436
"1118487"	240.049868	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2Na"	45.978436
"1400185"	160.369004	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H+2Na"	46.985712
"1430597"	481.134046	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H+HCOOH"	47.012746
"220419"	462.14354	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+3H2O+2H"	56.04448
"1509704"	495.18609	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+IsoProp+H"	61.06479
"414859"	465.097488	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+Na+K"	61.952376
"776951"	682.158138	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+Na+K"	61.952376
"1671097"	248.036838	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Na+K"	61.952376
"264184"	932.258368	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+ACN+Na"	64.015768
"1239079"	498.137068	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+ACN+Na"	64.015768
"1720311"	498.160593	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+NH4+HCOOH"	64.039293
"1183477"	167.696318	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+3Na"	68.967654
"1653370"	503.115988	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Na+HCOOH"	68.994688
"161325"	945.16164	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+2K-H"	76.91904
"607445"	1379.28294	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+2K-H"	76.91904
"1095238"	511.04034	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2K-H"	76.91904
"147680"	473.084458	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"2M+2K"	77.926316
"586147"	690.145108	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"3M+2K"	77.926316
"1072117"	256.023808	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2K"	77.926316
"1103140"	513.054892	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2K+H"	78.933592
"1339161"	513.142507	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+DMSO+H"	79.021207
"1010971"	517.181676	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2ACN+H"	83.060376
"1526908"	518.175308	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+IsoProp+Na+H"	84.054008
"993358"	259.094476	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+2ACN+2H"	84.067652
"1587252"	519.089928	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+K+HCOOH"	84.968628
"1422279"	549.121438	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+H+CF3COOH"	115.000138
"1152569"	279.607751	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+3ACN+2H"	125.094202
"1703215"	566.147985	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+NH4+CF3COOH"	132.026685
"1647615"	571.10338	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+Na+CF3COOH"	136.98208
"1582171"	587.07732	"C16407"	"2446-Tetrahydroxychalcone 4-O-glucoside;THC 4-glucoside;Chalconaringenin 4-glucoside;2446-Tetrahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O10"	"434.1213"	"M+K+CF3COOH"	152.95602
"803791"	450.1162	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M"	0
"976231"	431.09781	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-H2O-H"	-19.01839
"68848"	299.070190666667	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M-3H"	-3.021828
"504034"	449.108924	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M-3H"	-3.021828
"881225"	149.031457333333	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-3H"	-3.021828
"8066"	449.108924	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M-2H"	-2.014552
"444342"	674.167024	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M-2H"	-2.014552
"819960"	224.050824	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-2H"	-2.014552
"82139"	899.225124	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M-H"	-1.007276
"519264"	1349.341324	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M-H"	-1.007276
"896824"	449.108924	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-H"	-1.007276
"51688"	916.251671	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M-2H+NH4"	16.019271
"490155"	1366.367871	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M-2H+NH4"	16.019271
"878160"	466.135471	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-2H+NH4"	16.019271
"35856"	921.207066	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M-2H+Na"	20.974666
"484164"	1371.323266	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M-2H+Na"	20.974666
"856499"	471.090866	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-2H+Na"	20.974666
"1620565"	471.090866	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Na-2H"	20.974666
"95879"	467.097263	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M-H+Cl"	33.962126
"537749"	692.155363	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M-H+Cl"	33.962126
"932361"	242.039163	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-H+Cl"	33.962126
"272017"	935.201802	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+Cl"	34.969402
"662979"	1385.318002	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+Cl"	34.969402
"1279029"	485.085602	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Cl"	34.969402
"25596"	937.181006	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M-2H+K"	36.948606
"469166"	1387.297206	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M-2H+K"	36.948606
"845874"	487.064806	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-2H+K"	36.948606
"1569729"	487.064806	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+K-2H"	36.948606
"952505"	495.114394	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-H+HCOOH"	44.998194
"375099"	945.230601	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+HCOOH-H"	44.998201
"360440"	959.246251	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+Hac-H"	59.013851
"1503805"	509.130051	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Hac-H"	59.013851
"972805"	517.096351	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-H+NaCOOH"	66.980151
"121710"	485.085602	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+2Cl"	69.938804
"561637"	710.143702	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+2Cl"	69.938804
"1025326"	260.027502	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2Cl"	69.938804
"1252932"	529.035085	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Br"	78.918885
"1313559"	531.091072	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Cl+HCOOH"	80.974872
"1329961"	553.073029	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Cl+NaCOOH"	102.956829
"916648"	563.101786	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M-H+CF3COOH"	112.985586
"1297730"	599.078464	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Cl+CF3COOH"	148.962264
"1379173"	415.103524	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H-2H2O"	-35.012676
"1396306"	433.1135	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H-H2O"	-17.0027
"290889"	901.239676	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+H"	1.007276
"683308"	1351.355876	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+H"	1.007276
"1356741"	451.123476	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H"	1.007276
"126587"	451.123476	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+2H"	2.014552
"567000"	676.181576	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+2H"	2.014552
"1042003"	226.065376	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2H"	2.014552
"207716"	301.084742666667	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+3H"	3.021828
"657126"	451.123476	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+3H"	3.021828
"1176345"	151.046009333333	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+3H"	3.021828
"438891"	918.266223	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+NH4"	18.033823
"798793"	1368.382423	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+NH4"	18.033823
"1693662"	468.150023	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+NH4"	18.033823
"343033"	459.6367495	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+H+NH4"	19.041099
"735455"	684.6948495	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+H+NH4"	19.041099
"1488180"	234.5786495	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H+NH4"	19.041099
"406860"	923.221618	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+Na"	22.989218
"768827"	1373.337818	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+Na"	22.989218
"1617047"	473.105418	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Na"	22.989218
"327083"	462.114447	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+H+Na"	23.996494
"722383"	687.172547	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+H+Na"	23.996494
"1474419"	237.056347	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H+Na"	23.996494
"1066576"	158.373323333333	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2H+Na"	25.00377
"1270440"	483.149686	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+CH3OH+H"	33.033486
"389013"	939.195558	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+K"	38.963158
"751104"	1389.311758	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+K"	38.963158
"1553157"	489.079358	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+K"	38.963158
"310334"	470.101417	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+H+K"	39.970434
"699477"	695.159517	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+H+K"	39.970434
"1448921"	245.043317	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H+K"	39.970434
"238617"	942.266226	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+ACN+H"	42.033826
"1211081"	492.150026	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+ACN+H"	42.033826
"1197395"	246.578651	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+ACN+2H"	43.041102
"189656"	945.20356	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+2Na-H"	44.97116
"633107"	1395.31976	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+2Na-H"	44.97116
"1132723"	495.08736	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2Na-H"	44.97116
"174308"	473.105418	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+2Na"	45.978436
"613748"	698.163518	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+2Na"	45.978436
"1117260"	248.047318	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2Na"	45.978436
"1399200"	165.700637333333	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H+2Na"	46.985712
"1430709"	497.128946	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H+HCOOH"	47.012746
"221136"	478.13844	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+3H2O+2H"	56.04448
"1509933"	511.18099	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+IsoProp+H"	61.06479
"411687"	481.092388	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+Na+K"	61.952376
"780341"	706.150488	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+Na+K"	61.952376
"1667192"	256.034288	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Na+K"	61.952376
"264294"	964.248168	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+ACN+Na"	64.015768
"1238095"	514.131968	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+ACN+Na"	64.015768
"1718234"	514.155493	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+NH4+HCOOH"	64.039293
"1183587"	173.027951333333	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+3Na"	68.967654
"1653480"	519.110888	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Na+HCOOH"	68.994688
"164714"	977.15144	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+2K-H"	76.91904
"606461"	1427.26764	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+2K-H"	76.91904
"1089880"	527.03524	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2K-H"	76.91904
"146696"	489.079358	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"2M+2K"	77.926316
"586257"	714.137458	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"3M+2K"	77.926316
"1072227"	264.021258	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2K"	77.926316
"1102885"	529.049792	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2K+H"	78.933592
"1339271"	529.137407	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+DMSO+H"	79.021207
"1009987"	533.176576	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2ACN+H"	83.060376
"1529204"	534.170208	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+IsoProp+Na+H"	84.054008
"993467"	267.091926	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+2ACN+2H"	84.067652
"1590162"	535.084828	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+K+HCOOH"	84.968628
"1422389"	565.116338	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+H+CF3COOH"	115.000138
"1152679"	287.605201	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+3ACN+2H"	125.094202
"1700045"	582.142885	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+NH4+CF3COOH"	132.026685
"1647725"	587.09828	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+Na+CF3COOH"	136.98208
"1579001"	603.07222	"C16408"	"23446-Peptahydroxychalcone 4-O-glucoside;PHC 4-O-glucoside;23446-Pentahydroxychalcone 4-O-beta-D-glucoside"	"C21H22O11"	"450.1162"	"M+K+CF3COOH"	152.95602
"802808"	448.1006	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M"	0
"974919"	429.08221	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"68958"	297.726457333333	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"503656"	447.093324	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"880974"	148.359590666667	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"9271"	447.093324	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"451018"	671.143624	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"824446"	223.043024	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"85529"	895.193924	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"523998"	1343.294524	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"903984"	447.093324	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"51798"	912.220471	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"492452"	1360.321071	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"875719"	464.119871	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"34873"	917.175866	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"483182"	1365.276466	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"862076"	469.075266	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1622862"	469.075266	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"95020"	465.081663	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"536766"	689.131963	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"932471"	241.031363	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"272127"	931.170602	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"663088"	1379.271202	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1279139"	483.070002	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"24976"	933.149806	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"463442"	1381.250406	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"841244"	485.049206	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1570811"	485.049206	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"951522"	493.098794	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"375573"	941.199401	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"360550"	955.215051	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1502455"	507.114451	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"971093"	515.080751	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"122550"	483.070002	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"556278"	707.120302	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1026895"	259.019702	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1250124"	527.019485	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1314759"	529.075472	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1330071"	551.057429	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"923685"	561.086186	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1297840"	597.062864	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1380741"	413.087924	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1389123"	431.0979	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"298251"	897.208476	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"685606"	1345.309076	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1364143"	449.107876	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"133751"	449.107876	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"571124"	673.158176	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1042113"	225.057576	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"207826"	299.741009333333	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"659471"	449.107876	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1176823"	150.374142666667	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"439000"	914.235023	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"798902"	1362.335623	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1694869"	466.134423	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"342051"	457.6211495	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"738038"	681.6714495	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1492260"	233.5708495	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"406970"	919.190418	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"768937"	1367.291018	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1617036"	471.089818	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"328166"	460.098847	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"721805"	684.149147	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1473438"	236.048547	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1067415"	157.701456666667	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1271647"	481.134086	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"390217"	935.164358	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"753037"	1383.264958	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1554728"	487.063758	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"312633"	468.085817	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"700681"	692.136117	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1454500"	244.035517	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"238000"	938.235026	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1215812"	490.134426	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1197507"	245.570851	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"189408"	941.17236	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"632126"	1389.27296	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1131621"	493.07176	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"173940"	471.089818	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"617390"	695.140118	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1115742"	247.039518	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1399191"	165.028770666667	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1430211"	495.113346	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"220517"	476.12284	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1512110"	509.16539	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"417268"	479.076788	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"780451"	703.127088	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1669128"	255.026488	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"260029"	960.216968	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1240028"	512.116368	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1723811"	512.139893	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1184791"	172.356084666667	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1654683"	517.095288	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"165919"	973.12024	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"604385"	1421.22084	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1091084"	525.01964	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"145713"	487.063758	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"584544"	711.114058	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1073064"	263.013458	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1106279"	527.034192	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1337438"	527.121807	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1009004"	531.160976	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1529318"	532.154608	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"992487"	266.084126	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1589179"	533.069228	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1422499"	563.100738	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1156067"	286.597401	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1700155"	580.127285	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1644555"	585.08268	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1579111"	601.05662	"C16409"	"Aureusidin 6-O-glucoside;Aureusidin 6-O-beta-D-glucoside"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"804375"	464.0955	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M"	0
"975719"	445.07711	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H2O-H"	-19.01839
"69068"	308.389724	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-3H"	-3.021828
"506441"	463.088224	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-3H"	-3.021828
"884243"	153.691224	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-3H"	-3.021828
"5006"	463.088224	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H"	-2.014552
"447846"	695.135974	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H"	-2.014552
"823460"	231.040474	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H"	-2.014552
"82358"	927.183724	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-H"	-1.007276
"526290"	1391.279224	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-H"	-1.007276
"904093"	463.088224	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H"	-1.007276
"56280"	944.210271	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+NH4"	16.019271
"493654"	1408.305771	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+NH4"	16.019271
"870361"	480.114771	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H+NH4"	16.019271
"45915"	949.165666	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+Na"	20.974666
"480008"	1413.261166	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+Na"	20.974666
"854530"	485.070166	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H+Na"	20.974666
"1619039"	485.070166	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na-2H"	20.974666
"94637"	481.076563	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-H+Cl"	33.962126
"534886"	713.124313	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-H+Cl"	33.962126
"927959"	249.028813	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+Cl"	33.962126
"271866"	963.160402	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Cl"	34.969402
"661737"	1427.255902	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+Cl"	34.969402
"1277421"	499.064902	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl"	34.969402
"19977"	965.139606	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+K"	36.948606
"460631"	1429.235106	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+K"	36.948606
"839529"	501.044106	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-2H+K"	36.948606
"1560829"	501.044106	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K-2H"	36.948606
"943973"	509.093694	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+HCOOH"	44.998194
"365471"	973.189201	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+HCOOH-H"	44.998201
"353730"	987.204851	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Hac-H"	59.013851
"1499283"	523.109351	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Hac-H"	59.013851
"962812"	531.075651	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+NaCOOH"	66.980151
"119014"	499.064902	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2Cl"	69.938804
"558574"	731.112652	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2Cl"	69.938804
"1025546"	267.017152	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2Cl"	69.938804
"1250233"	543.014385	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Br"	78.918885
"1309399"	545.070372	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+HCOOH"	80.974872
"1326900"	567.052329	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+NaCOOH"	102.956829
"924522"	577.081086	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M-H+CF3COOH"	112.985586
"1297949"	613.057764	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+CF3COOH"	148.962264
"1379392"	429.082824	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H-2H2O"	-35.012676
"1387046"	447.0928	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H-H2O"	-17.0027
"296942"	929.198276	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H"	1.007276
"684623"	1393.293776	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H"	1.007276
"1364253"	465.102776	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H"	1.007276
"133861"	465.102776	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2H"	2.014552
"571234"	697.150526	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2H"	2.014552
"1042223"	233.055026	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2H"	2.014552
"209030"	310.404276	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+3H"	3.021828
"659740"	465.102776	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+3H"	3.021828
"1175473"	155.705776	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+3H"	3.021828
"438745"	946.224823	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+NH4"	18.033823
"798647"	1410.320323	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+NH4"	18.033823
"1696801"	482.129323	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+NH4"	18.033823
"341068"	473.6160495	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H+NH4"	19.041099
"736406"	705.6637995	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H+NH4"	19.041099
"1489494"	241.5682995	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+NH4"	19.041099
"408523"	951.180218	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Na"	22.989218
"766982"	1415.275718	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+Na"	22.989218
"1617879"	487.084718	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na"	22.989218
"329128"	476.093747	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H+Na"	23.996494
"720576"	708.141497	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H+Na"	23.996494
"1472452"	244.045997	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+Na"	23.996494
"1067283"	163.03309	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2H+Na"	25.00377
"1268477"	497.128986	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+CH3OH+H"	33.033486
"388140"	967.154158	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+K"	38.963158
"753147"	1431.249658	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+K"	38.963158
"1553745"	503.058658	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K"	38.963158
"309461"	484.080717	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+H+K"	39.970434
"697512"	716.128467	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+H+K"	39.970434
"1454610"	252.032967	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+K"	39.970434
"239205"	970.224826	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+ACN+H"	42.033826
"1217015"	506.129326	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+H"	42.033826
"1197617"	253.568301	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+2H"	43.041102
"188829"	973.16216	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2Na-H"	44.97116
"630049"	1437.25766	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2Na-H"	44.97116
"1131728"	509.06666	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2Na-H"	44.97116
"172862"	487.084718	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2Na"	45.978436
"614219"	719.132468	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2Na"	45.978436
"1116380"	255.036968	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2Na"	45.978436
"1398606"	170.360404	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+2Na"	46.985712
"1430810"	511.108246	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+HCOOH"	47.012746
"220106"	492.11774	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+3H2O+2H"	56.04448
"1510033"	525.16029	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+IsoProp+H"	61.06479
"417377"	495.071688	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+Na+K"	61.952376
"783113"	727.119438	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+Na+K"	61.952376
"1668505"	263.023938	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na+K"	61.952376
"261233"	992.206768	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+ACN+Na"	64.015768
"1236127"	528.111268	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+Na"	64.015768
"1725014"	528.134793	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+NH4+HCOOH"	64.039293
"1184901"	177.687718	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+3Na"	68.967654
"1653700"	533.090188	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na+HCOOH"	68.994688
"164936"	1005.11004	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2K-H"	76.91904
"604495"	1469.20554	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2K-H"	76.91904
"1090101"	541.01454	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2K-H"	76.91904
"146187"	503.058658	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"2M+2K"	77.926316
"594130"	735.106408	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"3M+2K"	77.926316
"1072445"	271.010908	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2K"	77.926316
"1106389"	543.029092	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2K+H"	78.933592
"1338034"	543.116707	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+DMSO+H"	79.021207
"1009114"	547.155876	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2ACN+H"	83.060376
"1528335"	548.149508	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+IsoProp+Na+H"	84.054008
"994783"	274.081576	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+2ACN+2H"	84.067652
"1591475"	549.064128	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K+HCOOH"	84.968628
"1422609"	579.095638	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+H+CF3COOH"	115.000138
"1156177"	294.594851	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+3ACN+2H"	125.094202
"1700265"	596.122185	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+NH4+CF3COOH"	132.026685
"1644665"	601.07758	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+Na+CF3COOH"	136.98208
"1579221"	617.05152	"C16410"	"Bracteatin 6-O-glucoside;Bracteatin 6-O-beta-D-glucoside"	"C21H20O12"	"464.0955"	"M+K+CF3COOH"	152.95602
"806308"	406.0509	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M"	0
"974737"	387.03251	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H2O-H"	-19.01839
"69178"	269.693324	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-3H"	-3.021828
"507644"	405.043624	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-3H"	-3.021828
"884353"	134.343024	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-3H"	-3.021828
"2929"	405.043624	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H"	-2.014552
"442489"	608.069074	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H"	-2.014552
"822477"	202.018174	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H"	-2.014552
"82467"	811.094524	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-H"	-1.007276
"525307"	1217.145424	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-H"	-1.007276
"903111"	405.043624	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H"	-1.007276
"53109"	828.121071	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+NH4"	16.019271
"490484"	1234.171971	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+NH4"	16.019271
"869378"	422.070171	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+NH4"	16.019271
"40559"	833.076466	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+Na"	20.974666
"480118"	1239.127366	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+Na"	20.974666
"854639"	427.025566	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+Na"	20.974666
"1618455"	427.025566	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na-2H"	20.974666
"94461"	423.031963	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-H+Cl"	33.962126
"535892"	626.057413	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-H+Cl"	33.962126
"927826"	220.006513	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+Cl"	33.962126
"270154"	847.071202	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Cl"	34.969402
"661968"	1253.122102	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Cl"	34.969402
"1276438"	441.020302	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl"	34.969402
"18993"	849.050406	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+K"	36.948606
"459647"	1255.101306	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+K"	36.948606
"838545"	442.999506	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+K"	36.948606
"1561667"	442.999506	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K-2H"	36.948606
"946269"	451.049094	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+HCOOH"	44.998194
"368862"	857.100001	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+HCOOH-H"	44.998201
"352745"	871.115651	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Hac-H"	59.013851
"1499393"	465.064751	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Hac-H"	59.013851
"963651"	473.031051	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+NaCOOH"	66.980151
"119120"	441.020302	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Cl"	69.938804
"556497"	644.045752	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Cl"	69.938804
"1022739"	237.994852	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Cl"	69.938804
"1249250"	484.969785	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Br"	78.918885
"1309145"	487.025772	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+HCOOH"	80.974872
"1327010"	509.007729	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+NaCOOH"	102.956829
"924632"	519.036486	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+CF3COOH"	112.985586
"1298059"	555.013164	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+CF3COOH"	148.962264
"1379502"	371.038224	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H-2H2O"	-35.012676
"1387520"	389.0482	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H-H2O"	-17.0027
"298309"	813.109076	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H"	1.007276
"684732"	1219.159976	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H"	1.007276
"1364363"	407.058176	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H"	1.007276
"133971"	407.058176	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2H"	2.014552
"568426"	610.083626	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2H"	2.014552
"1042333"	204.032726	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2H"	2.014552
"206952"	271.707876	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+3H"	3.021828
"658184"	407.058176	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+3H"	3.021828
"1175583"	136.357576	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3H"	3.021828
"436303"	830.135623	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+NH4"	18.033823
"799121"	1236.186523	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+NH4"	18.033823
"1694721"	424.084723	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4"	18.033823
"343001"	415.5714495	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+NH4"	19.041099
"734693"	618.5968995	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+NH4"	19.041099
"1489604"	212.5459995	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+NH4"	19.041099
"408044"	835.091018	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Na"	22.989218
"768915"	1241.141918	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Na"	22.989218
"1617989"	429.040118	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na"	22.989218
"329359"	418.049147	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+Na"	23.996494
"718743"	621.074597	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+Na"	23.996494
"1471471"	215.023697	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+Na"	23.996494
"1065813"	143.68489	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2H+Na"	25.00377
"1269678"	439.084386	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+CH3OH+H"	33.033486
"383876"	851.064958	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+K"	38.963158
"747062"	1257.115858	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+K"	38.963158
"1546929"	445.014058	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K"	38.963158
"306292"	426.036117	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+K"	39.970434
"697622"	629.061567	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+K"	39.970434
"1452536"	223.010667	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+K"	39.970434
"241138"	854.135626	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+ACN+H"	42.033826
"1214940"	448.084726	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+H"	42.033826
"1200281"	224.546001	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+2H"	43.041102
"193880"	857.07296	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Na-H"	44.97116
"633441"	1263.12386	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Na-H"	44.97116
"1132929"	451.02206	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Na-H"	44.97116
"173186"	429.040118	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Na"	45.978436
"615057"	632.065568	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Na"	45.978436
"1116084"	226.014668	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Na"	45.978436
"1399000"	151.012204	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+2Na"	46.985712
"1430188"	453.063646	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+HCOOH"	47.012746
"220450"	434.07314	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+3H2O+2H"	56.04448
"1509050"	467.11569	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+IsoProp+H"	61.06479
"417488"	437.027088	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Na+K"	61.952376
"783951"	640.052538	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Na+K"	61.952376
"1667887"	234.001638	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+K"	61.952376
"262436"	876.117568	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+ACN+Na"	64.015768
"1236237"	470.066668	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+Na"	64.015768
"1727311"	470.090193	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4+HCOOH"	64.039293
"1188291"	158.339518	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3Na"	68.967654
"1653810"	475.045588	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+HCOOH"	68.994688
"165046"	889.02084	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2K-H"	76.91904
"605699"	1295.07174	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2K-H"	76.91904
"1090211"	482.96994	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K-H"	76.91904
"147026"	445.014058	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2K"	77.926316
"590958"	648.039508	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2K"	77.926316
"1073285"	241.988608	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K"	77.926316
"1104671"	484.984492	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K+H"	78.933592
"1339601"	485.072107	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+DMSO+H"	79.021207
"1009225"	489.111276	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2ACN+H"	83.060376
"1525158"	490.104908	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+IsoProp+Na+H"	84.054008
"991611"	245.059276	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2ACN+2H"	84.067652
"1588057"	491.019528	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K+HCOOH"	84.968628
"1422719"	521.051038	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+CF3COOH"	115.000138
"1156287"	265.572551	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3ACN+2H"	125.094202
"1703655"	538.077585	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4+CF3COOH"	132.026685
"1644775"	543.03298	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+CF3COOH"	136.98208
"1579331"	559.00692	"C16411"	"4466-Tetranitro-22-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K+CF3COOH"	152.95602
"804595"	406.0509	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M"	0
"975940"	387.03251	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H2O-H"	-19.01839
"70381"	269.693324	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-3H"	-3.021828
"509942"	405.043624	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-3H"	-3.021828
"881548"	134.343024	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-3H"	-3.021828
"5227"	405.043624	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H"	-2.014552
"442600"	608.069074	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H"	-2.014552
"818215"	202.018174	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H"	-2.014552
"84765"	811.094524	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-H"	-1.007276
"525418"	1217.145424	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-H"	-1.007276
"903222"	405.043624	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H"	-1.007276
"56501"	828.121071	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+NH4"	16.019271
"487798"	1234.171971	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+NH4"	16.019271
"866330"	422.070171	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+NH4"	16.019271
"34109"	833.076466	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+Na"	20.974666
"484240"	1239.127366	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+Na"	20.974666
"858031"	427.025566	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+Na"	20.974666
"1620276"	427.025566	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na-2H"	20.974666
"94734"	423.031963	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-H+Cl"	33.962126
"535272"	626.057413	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-H+Cl"	33.962126
"929518"	220.006513	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+Cl"	33.962126
"272816"	847.071202	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Cl"	34.969402
"661348"	1253.122102	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Cl"	34.969402
"1276547"	441.020302	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl"	34.969402
"19831"	849.050406	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+K"	36.948606
"461944"	1255.101306	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+K"	36.948606
"840477"	442.999506	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+K"	36.948606
"1562871"	442.999506	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K-2H"	36.948606
"948202"	451.049094	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+HCOOH"	44.998194
"368972"	857.100001	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+HCOOH-H"	44.998201
"353948"	871.115651	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Hac-H"	59.013851
"1498771"	465.064751	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Hac-H"	59.013851
"965951"	473.031051	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+NaCOOH"	66.980151
"117045"	441.020302	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Cl"	69.938804
"556971"	644.045752	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Cl"	69.938804
"1022849"	237.994852	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Cl"	69.938804
"1246443"	484.969785	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Br"	78.918885
"1311808"	487.025772	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+HCOOH"	80.974872
"1333195"	509.007729	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+NaCOOH"	102.956829
"918178"	519.036486	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+CF3COOH"	112.985586
"1300355"	555.013164	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+CF3COOH"	148.962264
"1374144"	371.038224	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H-2H2O"	-35.012676
"1398292"	389.0482	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H-H2O"	-17.0027
"296795"	813.109076	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H"	1.007276
"685937"	1219.159976	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H"	1.007276
"1361194"	407.058176	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H"	1.007276
"135175"	407.058176	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2H"	2.014552
"569993"	610.083626	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2H"	2.014552
"1042443"	204.032726	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2H"	2.014552
"215811"	271.707876	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+3H"	3.021828
"659396"	407.058176	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+3H"	3.021828
"1178246"	136.357576	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3H"	3.021828
"438965"	830.135623	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+NH4"	18.033823
"800929"	1236.186523	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+NH4"	18.033823
"1696414"	424.084723	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4"	18.033823
"343110"	415.5714495	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+NH4"	19.041099
"738206"	618.5968995	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+NH4"	19.041099
"1490807"	212.5459995	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+NH4"	19.041099
"408433"	835.091018	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Na"	22.989218
"769723"	1241.141918	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Na"	22.989218
"1618336"	429.040118	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na"	22.989218
"329395"	418.049147	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+Na"	23.996494
"722708"	621.074597	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+Na"	23.996494
"1476605"	215.023697	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+Na"	23.996494
"1065923"	143.68489	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2H+Na"	25.00377
"1268694"	439.084386	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+CH3OH+H"	33.033486
"387267"	851.064958	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+K"	38.963158
"751545"	1257.115858	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+K"	38.963158
"1554571"	445.014058	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K"	38.963158
"306403"	426.036117	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+K"	39.970434
"701010"	629.061567	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+K"	39.970434
"1454833"	223.010667	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+K"	39.970434
"242339"	854.135626	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+ACN+H"	42.033826
"1215048"	448.084726	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+H"	42.033826
"1195287"	224.546001	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+2H"	43.041102
"193262"	857.07296	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Na-H"	44.97116
"633917"	1263.12386	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Na-H"	44.97116
"1132075"	451.02206	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Na-H"	44.97116
"173535"	429.040118	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Na"	45.978436
"614804"	632.065568	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Na"	45.978436
"1116236"	226.014668	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Na"	45.978436
"1398872"	151.012204	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+2Na"	46.985712
"1430376"	453.063646	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+HCOOH"	47.012746
"220850"	434.07314	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+3H2O+2H"	56.04448
"1514630"	467.11569	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+IsoProp+H"	61.06479
"421973"	437.027088	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Na+K"	61.952376
"779688"	640.052538	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Na+K"	61.952376
"1672738"	234.001638	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+K"	61.952376
"262546"	876.117568	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+ACN+Na"	64.015768
"1237440"	470.066668	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+Na"	64.015768
"1725601"	470.090193	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4+HCOOH"	64.039293
"1190956"	158.339518	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3Na"	68.967654
"1661574"	475.045588	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+HCOOH"	68.994688
"169530"	889.02084	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2K-H"	76.91904
"607995"	1295.07174	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2K-H"	76.91904
"1092506"	482.96994	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K-H"	76.91904
"146406"	445.014058	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2K"	77.926316
"593255"	648.039508	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2K"	77.926316
"1077768"	241.988608	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K"	77.926316
"1107697"	484.984492	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K+H"	78.933592
"1337890"	485.072107	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+DMSO+H"	79.021207
"1010427"	489.111276	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2ACN+H"	83.060376
"1525392"	490.104908	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+IsoProp+Na+H"	84.054008
"990504"	245.059276	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2ACN+2H"	84.067652
"1588774"	491.019528	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K+HCOOH"	84.968628
"1422829"	521.051038	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+CF3COOH"	115.000138
"1148012"	265.572551	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3ACN+2H"	125.094202
"1700482"	538.077585	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4+CF3COOH"	132.026685
"1644885"	543.03298	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+CF3COOH"	136.98208
"1579441"	559.00692	"C16412"	"2466-Tetranitro-24-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K+CF3COOH"	152.95602
"803248"	406.0509	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M"	0
"976778"	387.03251	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H2O-H"	-19.01839
"69398"	269.693324	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-3H"	-3.021828
"507866"	405.043624	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-3H"	-3.021828
"884574"	134.343024	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-3H"	-3.021828
"3150"	405.043624	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H"	-2.014552
"444897"	608.069074	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H"	-2.014552
"821604"	202.018174	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H"	-2.014552
"89249"	811.094524	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-H"	-1.007276
"530631"	1217.145424	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-H"	-1.007276
"901144"	405.043624	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H"	-1.007276
"56610"	828.121071	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+NH4"	16.019271
"493983"	1234.171971	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+NH4"	16.019271
"871784"	422.070171	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+NH4"	16.019271
"34339"	833.076466	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+Na"	20.974666
"480338"	1239.127366	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+Na"	20.974666
"858141"	427.025566	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+Na"	20.974666
"1618882"	427.025566	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na-2H"	20.974666
"95445"	423.031963	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-H+Cl"	33.962126
"535503"	626.057413	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-H+Cl"	33.962126
"929628"	220.006513	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+Cl"	33.962126
"272562"	847.071202	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Cl"	34.969402
"661579"	1253.122102	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Cl"	34.969402
"1276657"	441.020302	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl"	34.969402
"17388"	849.050406	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M-2H+K"	36.948606
"462054"	1255.101306	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M-2H+K"	36.948606
"841315"	442.999506	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-2H+K"	36.948606
"1563709"	442.999506	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K-2H"	36.948606
"947217"	451.049094	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+HCOOH"	44.998194
"368350"	857.100001	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+HCOOH-H"	44.998201
"354057"	871.115651	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Hac-H"	59.013851
"1498881"	465.064751	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Hac-H"	59.013851
"963870"	473.031051	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+NaCOOH"	66.980151
"114965"	441.020302	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Cl"	69.938804
"558903"	644.045752	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Cl"	69.938804
"1022594"	237.994852	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Cl"	69.938804
"1248375"	484.969785	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Br"	78.918885
"1306812"	487.025772	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+HCOOH"	80.974872
"1332697"	509.007729	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+NaCOOH"	102.956829
"922659"	519.036486	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M-H+CF3COOH"	112.985586
"1299370"	555.013164	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Cl+CF3COOH"	148.962264
"1373159"	371.038224	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H-2H2O"	-35.012676
"1387740"	389.0482	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H-H2O"	-17.0027
"296905"	813.109076	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H"	1.007276
"687139"	1219.159976	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H"	1.007276
"1364583"	407.058176	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H"	1.007276
"134191"	407.058176	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2H"	2.014552
"568282"	610.083626	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2H"	2.014552
"1043646"	204.032726	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2H"	2.014552
"215921"	271.707876	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+3H"	3.021828
"658776"	407.058176	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+3H"	3.021828
"1177265"	136.357576	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3H"	3.021828
"439444"	830.135623	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+NH4"	18.033823
"800437"	1236.186523	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+NH4"	18.033823
"1696645"	424.084723	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4"	18.033823
"345408"	415.5714495	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+NH4"	19.041099
"738391"	618.5968995	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+NH4"	19.041099
"1490553"	212.5459995	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+NH4"	19.041099
"408432"	835.091018	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Na"	22.989218
"769512"	1241.141918	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Na"	22.989218
"1618017"	429.040118	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na"	22.989218
"328728"	418.049147	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+Na"	23.996494
"721150"	621.074597	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+Na"	23.996494
"1476757"	215.023697	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+Na"	23.996494
"1066032"	143.68489	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2H+Na"	25.00377
"1269897"	439.084386	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+CH3OH+H"	33.033486
"385191"	851.064958	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+K"	38.963158
"752388"	1257.115858	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+K"	38.963158
"1553709"	445.014058	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K"	38.963158
"307608"	426.036117	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+H+K"	39.970434
"701122"	629.061567	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+H+K"	39.970434
"1453848"	223.010667	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+K"	39.970434
"240264"	854.135626	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+ACN+H"	42.033826
"1219531"	448.084726	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+H"	42.033826
"1202322"	224.546001	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+2H"	43.041102
"196287"	857.07296	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Na-H"	44.97116
"629650"	1263.12386	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Na-H"	44.97116
"1133278"	451.02206	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Na-H"	44.97116
"173647"	429.040118	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2Na"	45.978436
"614183"	632.065568	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2Na"	45.978436
"1116226"	226.014668	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2Na"	45.978436
"1398658"	151.012204	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+2Na"	46.985712
"1430406"	453.063646	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+HCOOH"	47.012746
"221206"	434.07314	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+3H2O+2H"	56.04448
"1516926"	467.11569	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+IsoProp+H"	61.06479
"424071"	437.027088	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+Na+K"	61.952376
"779798"	640.052538	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+Na+K"	61.952376
"1672848"	234.001638	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+K"	61.952376
"263386"	876.117568	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+ACN+Na"	64.015768
"1237550"	470.066668	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+ACN+Na"	64.015768
"1726075"	470.090193	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4+HCOOH"	64.039293
"1192524"	158.339518	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3Na"	68.967654
"1661684"	475.045588	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+HCOOH"	68.994688
"168545"	889.02084	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2K-H"	76.91904
"608105"	1295.07174	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2K-H"	76.91904
"1089700"	482.96994	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K-H"	76.91904
"146516"	445.014058	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"2M+2K"	77.926316
"592272"	648.039508	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"3M+2K"	77.926316
"1077878"	241.988608	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K"	77.926316
"1105620"	484.984492	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2K+H"	78.933592
"1339822"	485.072107	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+DMSO+H"	79.021207
"1008350"	489.111276	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2ACN+H"	83.060376
"1525014"	490.104908	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+IsoProp+Na+H"	84.054008
"991100"	245.059276	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+2ACN+2H"	84.067652
"1587221"	491.019528	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K+HCOOH"	84.968628
"1425126"	521.051038	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+H+CF3COOH"	115.000138
"1150310"	265.572551	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+3ACN+2H"	125.094202
"1703872"	538.077585	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+NH4+CF3COOH"	132.026685
"1644995"	543.03298	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+Na+CF3COOH"	136.98208
"1572991"	559.00692	"C16413"	"2266-Tetranitro-44-azoxytoluene"	"C14H10N6O9"	"406.0509"	"M+K+CF3COOH"	152.95602
"804086"	199.0593	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M"	0
"975428"	180.04091	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-H2O-H"	-19.01839
"69508"	131.698924	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M-3H"	-3.021828
"507976"	198.052024	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M-3H"	-3.021828
"884684"	65.345824	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-3H"	-3.021828
"2531"	198.052024	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M-2H"	-2.014552
"443914"	297.581674	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M-2H"	-2.014552
"826088"	98.522374	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-2H"	-2.014552
"90453"	397.111324	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M-H"	-1.007276
"531106"	596.170624	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M-H"	-1.007276
"901254"	198.052024	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-H"	-1.007276
"56720"	414.137871	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M-2H+NH4"	16.019271
"494093"	613.197171	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M-2H+NH4"	16.019271
"871894"	215.078571	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-2H+NH4"	16.019271
"36515"	419.093266	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M-2H+Na"	20.974666
"480448"	618.152566	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M-2H+Na"	20.974666
"861168"	220.033966	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-2H+Na"	20.974666
"1618443"	220.033966	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Na-2H"	20.974666
"94314"	216.040363	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M-H+Cl"	33.962126
"536222"	315.570013	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M-H+Cl"	33.962126
"929009"	116.510713	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-H+Cl"	33.962126
"272672"	433.088002	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+Cl"	34.969402
"661688"	632.147302	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+Cl"	34.969402
"1276767"	234.028702	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Cl"	34.969402
"20416"	435.067206	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M-2H+K"	36.948606
"461800"	634.126506	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M-2H+K"	36.948606
"842884"	236.007906	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-2H+K"	36.948606
"1562361"	236.007906	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+K-2H"	36.948606
"949879"	244.057494	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-H+HCOOH"	44.998194
"368096"	443.116801	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+HCOOH-H"	44.998201
"350157"	457.132451	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+Hac-H"	59.013851
"1498628"	258.073151	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Hac-H"	59.013851
"961066"	266.039451	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-H+NaCOOH"	66.980151
"113617"	234.028702	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+2Cl"	69.938804
"557919"	333.558352	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+2Cl"	69.938804
"1023069"	134.499052	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2Cl"	69.938804
"1247392"	277.978185	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Br"	78.918885
"1309110"	280.034172	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Cl+HCOOH"	80.974872
"1331349"	302.016129	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Cl+NaCOOH"	102.956829
"920583"	312.044886	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M-H+CF3COOH"	112.985586
"1299478"	348.021564	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Cl+CF3COOH"	148.962264
"1373269"	164.046624	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H-2H2O"	-35.012676
"1386393"	182.0566	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H-H2O"	-17.0027
"287173"	399.125876	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+H"	1.007276
"679594"	598.185176	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+H"	1.007276
"1360319"	200.066576	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H"	1.007276
"134301"	200.066576	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+2H"	2.014552
"568392"	299.596226	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+2H"	2.014552
"1041569"	100.536926	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2H"	2.014552
"216031"	133.713476	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+3H"	3.021828
"659920"	200.066576	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+3H"	3.021828
"1178227"	67.360376	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+3H"	3.021828
"438700"	416.152423	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+NH4"	18.033823
"800544"	615.211723	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+NH4"	18.033823
"1696755"	217.093123	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+NH4"	18.033823
"345279"	208.5798495	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+H+NH4"	19.041099
"738478"	308.1094995	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+H+NH4"	19.041099
"1492245"	109.0501995	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H+NH4"	19.041099
"408477"	421.107818	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+Na"	22.989218
"769893"	620.167118	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+Na"	22.989218
"1618367"	222.048518	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Na"	22.989218
"329447"	211.057547	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+H+Na"	23.996494
"720167"	310.587197	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+H+Na"	23.996494
"1476174"	111.527897	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H+Na"	23.996494
"1066142"	74.68769	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2H+Na"	25.00377
"1268914"	232.092786	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+CH3OH+H"	33.033486
"385301"	437.081758	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+K"	38.963158
"751765"	636.141058	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+K"	38.963158
"1552726"	238.022458	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+K"	38.963158
"305531"	219.044517	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+H+K"	39.970434
"699046"	318.574167	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+H+K"	39.970434
"1452865"	119.514867	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H+K"	39.970434
"237093"	440.152426	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+ACN+H"	42.033826
"1221828"	241.093126	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+ACN+H"	42.033826
"1201338"	121.050201	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+ACN+2H"	43.041102
"190201"	443.08976	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+2Na-H"	44.97116
"635957"	642.14906	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+2Na-H"	44.97116
"1131643"	244.03046	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2Na-H"	44.97116
"177286"	222.048518	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+2Na"	45.978436
"615266"	321.578168	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+2Na"	45.978436
"1115726"	122.518868	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2Na"	45.978436
"1399376"	82.015004	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H+2Na"	46.985712
"1430400"	246.072046	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H+HCOOH"	47.012746
"220110"	227.08154	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+3H2O+2H"	56.04448
"1509255"	260.12409	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+IsoProp+H"	61.06479
"415631"	230.035488	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+Na+K"	61.952376
"779908"	329.565138	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+Na+K"	61.952376
"1672958"	130.505838	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Na+K"	61.952376
"263860"	462.134368	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+ACN+Na"	64.015768
"1237660"	263.075068	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+ACN+Na"	64.015768
"1724361"	263.098593	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+NH4+HCOOH"	64.039293
"1191904"	89.342318	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+3Na"	68.967654
"1660701"	268.053988	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Na+HCOOH"	68.994688
"167562"	475.03764	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+2K-H"	76.91904
"607122"	674.09694	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+2K-H"	76.91904
"1089446"	275.97834	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2K-H"	76.91904
"145533"	238.022458	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"2M+2K"	77.926316
"591288"	337.552108	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"3M+2K"	77.926316
"1072521"	138.492808	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2K"	77.926316
"1104637"	277.992892	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2K+H"	78.933592
"1338839"	278.080507	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+DMSO+H"	79.021207
"1008460"	282.119676	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2ACN+H"	83.060376
"1524883"	283.113308	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+IsoProp+Na+H"	84.054008
"990846"	141.563476	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+2ACN+2H"	84.067652
"1587536"	284.027928	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+K+HCOOH"	84.968628
"1424143"	314.059438	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+H+CF3COOH"	115.000138
"1150056"	162.076751	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+3ACN+2H"	125.094202
"1703982"	331.085985	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+NH4+CF3COOH"	132.026685
"1645105"	336.04138	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+Na+CF3COOH"	136.98208
"1573101"	352.01532	"C16414"	"2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol"	"C7H9N3O4"	"199.0593"	"M+K+CF3COOH"	152.95602
"803468"	274.0841	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M"	0
"975905"	255.06571	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-H2O-H"	-19.01839
"69618"	181.715457333333	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M-3H"	-3.021828
"510272"	273.076824	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M-3H"	-3.021828
"884794"	90.3540906666667	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-3H"	-3.021828
"2276"	273.076824	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M-2H"	-2.014552
"444024"	410.118874	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M-2H"	-2.014552
"825106"	136.034774	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-2H"	-2.014552
"89471"	547.160924	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M-H"	-1.007276
"531945"	821.245024	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M-H"	-1.007276
"906831"	273.076824	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-H"	-1.007276
"56830"	564.187471	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M-2H+NH4"	16.019271
"496390"	838.271571	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M-2H+NH4"	16.019271
"872004"	290.103371	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-2H+NH4"	16.019271
"39905"	569.142866	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M-2H+Na"	20.974666
"477279"	843.226966	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M-2H+Na"	20.974666
"859455"	295.058766	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-2H+Na"	20.974666
"1618477"	295.058766	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Na-2H"	20.974666
"95672"	291.065163	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M-H+Cl"	33.962126
"534748"	428.107213	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M-H+Cl"	33.962126
"927661"	154.023113	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-H+Cl"	33.962126
"269865"	583.137602	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+Cl"	34.969402
"660461"	857.221702	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+Cl"	34.969402
"1275055"	309.053502	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Cl"	34.969402
"18339"	585.116806	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M-2H+K"	36.948606
"458631"	859.200906	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M-2H+K"	36.948606
"840807"	311.032706	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-2H+K"	36.948606
"1562107"	311.032706	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+K-2H"	36.948606
"947803"	319.082294	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-H+HCOOH"	44.998194
"368206"	593.166401	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+HCOOH-H"	44.998201
"353183"	607.182051	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+Hac-H"	59.013851
"1498738"	333.097951	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Hac-H"	59.013851
"961176"	341.064251	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-H+NaCOOH"	66.980151
"114456"	309.053502	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+2Cl"	69.938804
"555841"	446.095552	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+2Cl"	69.938804
"1024638"	172.011452	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2Cl"	69.938804
"1248595"	353.002985	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Br"	78.918885
"1308856"	355.058972	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Cl+HCOOH"	80.974872
"1331820"	377.040929	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Cl+NaCOOH"	102.956829
"923972"	387.069686	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M-H+CF3COOH"	112.985586
"1301774"	423.046364	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Cl+CF3COOH"	148.962264
"1372286"	239.071424	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H-2H2O"	-35.012676
"1386502"	257.0814	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H-H2O"	-17.0027
"287283"	549.175476	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+H"	1.007276
"679704"	823.259576	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+H"	1.007276
"1360429"	275.091376	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H"	1.007276
"132224"	275.091376	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+2H"	2.014552
"568502"	412.133426	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+2H"	2.014552
"1042770"	138.049326	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2H"	2.014552
"212861"	183.730009333333	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+3H"	3.021828
"659786"	275.091376	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+3H"	3.021828
"1177968"	92.3686426666667	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+3H"	3.021828
"439783"	566.202023	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+NH4"	18.033823
"801027"	840.286123	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+NH4"	18.033823
"1696997"	292.117923	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+NH4"	18.033823
"345639"	283.6046495	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+H+NH4"	19.041099
"737693"	420.6466995	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+H+NH4"	19.041099
"1492119"	146.5625995	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H+NH4"	19.041099
"408005"	571.157418	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+Na"	22.989218
"769686"	845.241518	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+Na"	22.989218
"1617213"	297.073318	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Na"	22.989218
"322390"	286.082347	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+H+Na"	23.996494
"718091"	423.124397	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+H+Na"	23.996494
"1473004"	149.040297	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H+Na"	23.996494
"1066253"	99.6959566666666	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2H+Na"	25.00377
"1270727"	307.117586	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+CH3OH+H"	33.033486
"384318"	587.131358	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+K"	38.963158
"748595"	861.215458	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+K"	38.963158
"1551743"	313.047258	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+K"	38.963158
"304548"	294.069317	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+H+K"	39.970434
"695874"	431.111367	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+H+K"	39.970434
"1446536"	157.027267	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H+K"	39.970434
"236068"	590.202026	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+ACN+H"	42.033826
"1214287"	316.117926	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+ACN+H"	42.033826
"1199261"	158.562601	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+ACN+2H"	43.041102
"191039"	593.13936	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+2Na-H"	44.97116
"629746"	867.22346	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+2Na-H"	44.97116
"1131709"	319.05526	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2Na-H"	44.97116
"179582"	297.073318	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+2Na"	45.978436
"616228"	434.115368	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+2Na"	45.978436
"1115956"	160.031268	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2Na"	45.978436
"1398500"	107.023270666667	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H+2Na"	46.985712
"1430145"	321.096846	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H+HCOOH"	47.012746
"222155"	302.10634	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+3H2O+2H"	56.04448
"1517147"	335.14889	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+IsoProp+H"	61.06479
"417931"	305.060288	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+Na+K"	61.952376
"778926"	442.102338	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+Na+K"	61.952376
"1671973"	168.018238	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Na+K"	61.952376
"261782"	612.183968	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+ACN+Na"	64.015768
"1231208"	338.099868	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+ACN+Na"	64.015768
"1724471"	338.123393	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+NH4+HCOOH"	64.039293
"1187638"	114.350584666667	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+3Na"	68.967654
"1660811"	343.078788	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Na+HCOOH"	68.994688
"167672"	625.08724	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+2K-H"	76.91904
"607232"	899.17134	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+2K-H"	76.91904
"1089556"	351.00314	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2K-H"	76.91904
"150746"	313.047258	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"2M+2K"	77.926316
"592493"	450.089308	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"3M+2K"	77.926316
"1080285"	176.005208	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2K"	77.926316
"1109121"	353.017692	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2K+H"	78.933592
"1336883"	353.105307	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+DMSO+H"	79.021207
"1008569"	357.144476	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2ACN+H"	83.060376
"1526695"	358.138108	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+IsoProp+Na+H"	84.054008
"990145"	179.075876	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+2ACN+2H"	84.067652
"1587240"	359.052728	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+K+HCOOH"	84.968628
"1424253"	389.084238	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+H+CF3COOH"	115.000138
"1153446"	199.589151	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+3ACN+2H"	125.094202
"1701176"	406.110785	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+NH4+CF3COOH"	132.026685
"1645215"	411.06618	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+Na+CF3COOH"	136.98208
"1573575"	427.04012	"C16415"	"5-Deoxyleucopelargonidin"	"C15H14O5"	"274.0841"	"M+K+CF3COOH"	152.95602
"803578"	340.1311	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M"	0
"977110"	321.11271	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"69728"	225.746790666667	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"510382"	339.123824	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"882719"	112.369757333333	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"2386"	339.123824	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"447415"	509.189374	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"825215"	169.058274	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"89581"	679.254924	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"529137"	1019.386024	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"904754"	339.123824	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"58035"	696.281471	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"496500"	1036.412571	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"871021"	356.150371	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"42203"	701.236866	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"478483"	1041.367966	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"862118"	361.105766	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1626911"	361.105766	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"94605"	357.112163	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"534275"	527.177713	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"927771"	187.046613	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"269610"	715.231602	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"660083"	1055.362702	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1275165"	375.100502	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"16868"	717.210806	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"462022"	1057.341906	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"840918"	377.079706	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1563313"	377.079706	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"951195"	385.129294	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"369410"	725.260401	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"352202"	739.276051	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1502128"	399.144951	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"965295"	407.111251	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"116752"	375.100502	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"561420"	545.166052	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1028031"	205.034952	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1244696"	419.049985	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1312246"	421.105972	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1331931"	443.087929	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"917522"	453.116686	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1301885"	489.093364	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1376766"	305.118424	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1393171"	323.1284	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"291766"	681.269476	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"676533"	1021.400576	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1355068"	341.138376	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"129052"	341.138376	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"567639"	511.203926	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1040693"	171.072826	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"212971"	227.761342666667	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"658618"	341.138376	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1177226"	114.384309333333	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"438926"	698.296023	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"800652"	1038.427123	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1695644"	358.164923	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"345257"	349.6516495	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"737558"	519.7171995	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1491621"	179.5860995	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"407956"	703.251418	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"768868"	1043.382518	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1617569"	363.120318	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"323594"	352.129347	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"718201"	522.194897	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1472022"	182.063797	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1066121"	121.711623333333	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1270229"	373.164586	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"384428"	719.225358	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"751988"	1059.356458	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1552947"	379.094258	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"303564"	360.116317	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"697079"	530.181867	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1445653"	190.050767	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"235837"	722.296026	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1210264"	382.164926	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1200464"	191.586101	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"193336"	725.23336	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"637269"	1065.36446	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1142233"	385.10226	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"179691"	363.120318	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"619253"	533.185868	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1116438"	193.054768	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1398620"	129.038937333333	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1432203"	387.143846	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"223723"	368.15334	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1517257"	401.19589	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"414759"	371.107288	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"777942"	541.172838	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1668804"	201.041738	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"258976"	744.277968	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1228766"	404.146868	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1718747"	404.170393	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1188841"	136.366251333333	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1659826"	409.125788	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"164864"	757.18124	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"597498"	1097.31234	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1086385"	417.05014	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"147576"	379.094258	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"584949"	549.159808	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1071648"	209.028708	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1101577"	419.064692	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1336021"	419.152307	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1007587"	423.191476	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1524613"	424.185108	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"990088"	212.099376	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1587388"	425.099728	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1415975"	455.131238	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1153556"	232.612651	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1701286"	472.157785	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1644232"	477.11318	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1576601"	493.08712	"C16416"	"Desmethylxanthohumol"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"814623"	354.1467	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M"	0
"982688"	335.12831	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-H2O-H"	-19.01839
"76399"	235.090524	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M-3H"	-3.021828
"513774"	353.139424	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M-3H"	-3.021828
"892669"	117.041624	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-3H"	-3.021828
"9057"	353.139424	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M-2H"	-2.014552
"446431"	530.212774	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M-2H"	-2.014552
"827513"	176.066074	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-2H"	-2.014552
"89694"	707.286124	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M-H"	-1.007276
"529978"	1061.432824	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M-H"	-1.007276
"907052"	353.139424	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-H"	-1.007276
"59241"	724.312671	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M-2H+NH4"	16.019271
"494424"	1078.459371	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M-2H+NH4"	16.019271
"875870"	370.165971	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-2H+NH4"	16.019271
"42313"	729.268066	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M-2H+Na"	20.974666
"480780"	1083.414766	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M-2H+Na"	20.974666
"862471"	375.121366	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-2H+Na"	20.974666
"1627024"	375.121366	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Na-2H"	20.974666
"95407"	371.127763	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M-H+Cl"	33.962126
"534806"	548.201113	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M-H+Cl"	33.962126
"928246"	194.054413	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-H+Cl"	33.962126
"270815"	743.262802	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+Cl"	34.969402
"662141"	1097.409502	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+Cl"	34.969402
"1277827"	389.116102	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Cl"	34.969402
"16978"	745.242006	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M-2H+K"	36.948606
"467599"	1099.388706	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M-2H+K"	36.948606
"843215"	391.095306	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-2H+K"	36.948606
"1567796"	391.095306	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+K-2H"	36.948606
"951305"	399.144894	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-H+HCOOH"	44.998194
"370980"	753.291601	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+HCOOH-H"	44.998201
"355228"	767.307251	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+Hac-H"	59.013851
"1502240"	413.160551	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Hac-H"	59.013851
"967593"	421.126851	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-H+NaCOOH"	66.980151
"118685"	389.116102	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+2Cl"	69.938804
"562259"	566.189452	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+2Cl"	69.938804
"1028505"	212.042752	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2Cl"	69.938804
"1247722"	433.065585	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Br"	78.918885
"1313450"	435.121572	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Cl+HCOOH"	80.974872
"1332771"	457.103529	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Cl+NaCOOH"	102.956829
"924192"	467.132286	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M-H+CF3COOH"	112.985586
"1303090"	503.108964	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Cl+CF3COOH"	148.962264
"1380158"	319.134024	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H-2H2O"	-35.012676
"1396561"	337.144	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H-H2O"	-17.0027
"291876"	709.300676	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+H"	1.007276
"682111"	1063.447376	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+H"	1.007276
"1356274"	355.153976	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H"	1.007276
"133537"	355.153976	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+2H"	2.014552
"567628"	532.227326	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+2H"	2.014552
"1044083"	178.080626	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2H"	2.014552
"214174"	237.105076	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+3H"	3.021828
"658732"	355.153976	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+3H"	3.021828
"1177917"	119.056176	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+3H"	3.021828
"439403"	726.327223	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+NH4"	18.033823
"801005"	1080.473923	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+NH4"	18.033823
"1696240"	372.180523	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+NH4"	18.033823
"345332"	363.6672495	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+H+NH4"	19.041099
"738276"	540.7405995	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+H+NH4"	19.041099
"1492335"	186.5938995	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H+NH4"	19.041099
"407124"	731.282618	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+Na"	22.989218
"768485"	1085.429318	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+Na"	22.989218
"1615855"	377.135918	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Na"	22.989218
"326986"	366.144947	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+H+Na"	23.996494
"716127"	543.218297	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+H+Na"	23.996494
"1471041"	189.071597	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H+Na"	23.996494
"1066353"	126.38349	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2H+Na"	25.00377
"1270339"	387.180186	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+CH3OH+H"	33.033486
"384540"	747.256558	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+K"	38.963158
"753191"	1101.403258	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+K"	38.963158
"1554158"	393.109858	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+K"	38.963158
"312422"	374.131917	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+H+K"	39.970434
"700466"	551.205267	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+H+K"	39.970434
"1458663"	197.058567	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H+K"	39.970434
"245077"	750.327226	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+ACN+H"	42.033826
"1218879"	396.180526	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+ACN+H"	42.033826
"1200573"	198.593901	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+ACN+2H"	43.041102
"194539"	753.26456	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+2Na-H"	44.97116
"636285"	1107.41126	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+2Na-H"	44.97116
"1137603"	399.11786	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2Na-H"	44.97116
"173847"	377.135918	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+2Na"	45.978436
"618270"	554.209268	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+2Na"	45.978436
"1116302"	200.062568	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2Na"	45.978436
"1399217"	133.710804	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H+2Na"	46.985712
"1430365"	401.159446	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H+HCOOH"	47.012746
"220471"	382.16894	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+3H2O+2H"	56.04448
"1512994"	415.21149	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+IsoProp+H"	61.06479
"410495"	385.122888	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+Na+K"	61.952376
"770762"	562.196238	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+Na+K"	61.952376
"1666849"	208.049538	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Na+K"	61.952376
"258357"	772.309168	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+ACN+Na"	64.015768
"1231792"	418.162468	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+ACN+Na"	64.015768
"1718857"	418.185993	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+NH4+HCOOH"	64.039293
"1182024"	141.038118	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+3Na"	68.967654
"1659938"	423.141388	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Na+HCOOH"	68.994688
"166797"	785.21244	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+2K-H"	76.91904
"597098"	1139.35914	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+2K-H"	76.91904
"1084794"	431.06574	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2K-H"	76.91904
"142583"	393.109858	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"2M+2K"	77.926316
"585425"	570.183208	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"3M+2K"	77.926316
"1071759"	216.036508	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2K"	77.926316
"1102781"	433.080292	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2K+H"	78.933592
"1338075"	433.167907	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+DMSO+H"	79.021207
"1008791"	437.207076	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2ACN+H"	83.060376
"1524257"	438.200708	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+IsoProp+Na+H"	84.054008
"989944"	219.107176	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+2ACN+2H"	84.067652
"1587993"	439.115328	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+K+HCOOH"	84.968628
"1417906"	469.146838	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+H+CF3COOH"	115.000138
"1153666"	239.620451	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+3ACN+2H"	125.094202
"1702125"	486.173385	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+NH4+CF3COOH"	132.026685
"1646529"	491.12878	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+Na+CF3COOH"	136.98208
"1579991"	507.10272	"C16417"	"Xanthohumol"	"C21H22O5"	"354.1467"	"M+K+CF3COOH"	152.95602
"803798"	314.079	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M"	0
"975628"	295.06061	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"68855"	208.378724	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"509509"	313.071724	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"885126"	103.685724	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"3701"	313.071724	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"441072"	470.111224	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"822155"	156.032224	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"87615"	627.150724	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"527174"	941.229724	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"906067"	313.071724	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"57162"	644.177271	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"495629"	958.256271	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"870149"	330.098271	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"36957"	649.132666	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"477611"	963.211666	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"856506"	335.053666	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1622759"	335.053666	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"94705"	331.060063	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"534992"	488.099563	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"928718"	174.020563	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"277487"	663.127402	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"671002"	977.206402	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1286686"	349.048402	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"30945"	665.106606	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"469532"	979.185606	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"845512"	351.027606	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1569366"	351.027606	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"955061"	359.077194	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"369632"	673.156201	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"359714"	687.171851	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1503443"	373.092851	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"964422"	381.059151	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"119528"	349.048402	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"561275"	506.087902	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1028251"	192.008902	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1248925"	392.997885	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1309186"	395.053872	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1328871"	417.035829	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"922117"	427.064586	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1301013"	463.041264	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1375894"	279.066324	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1387926"	297.0763	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"291987"	629.165276	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"682222"	943.244276	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1359666"	315.086276	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H"	1.007276
"129272"	315.086276	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"573209"	472.125776	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1045289"	158.046776	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"217565"	210.393276	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"659647"	315.086276	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1178445"	105.700276	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"439801"	646.191823	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"801313"	960.270823	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1696990"	332.112823	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"345232"	323.5995495	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"738183"	480.6390495	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1491842"	166.5600495	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"404682"	651.147218	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"764585"	965.226218	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1612684"	337.068218	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"323816"	326.077247	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"715142"	483.116747	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1468964"	169.037747	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1068447"	113.02759	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1272278"	347.112486	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"387931"	667.121158	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"753669"	981.200158	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1554630"	353.042158	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+K"	38.963158
"312169"	334.064217	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"700576"	491.103717	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1458775"	177.024717	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"248104"	670.191826	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1221176"	356.112826	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1201777"	178.560051	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"194650"	673.12916	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"637489"	987.20816	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1137713"	359.05016	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"175903"	337.068218	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"620567"	494.107718	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1117265"	180.028718	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1400059"	120.354904	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1430472"	361.091746	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"221756"	342.10124	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1513104"	375.14379	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"414978"	345.055188	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"771600"	502.094688	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1667930"	188.015688	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"257740"	692.173768	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1234821"	378.094768	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1723708"	378.118293	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1189062"	127.682218	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1657862"	383.073688	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"159982"	705.07704	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"601003"	1019.15604	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1085148"	390.99804	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"147799"	353.042158	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"588452"	510.081658	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1078434"	196.002658	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1107268"	393.012592	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1337091"	393.100207	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1006225"	397.139376	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1524392"	398.133008	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"995667"	199.073326	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1596734"	399.047628	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1425671"	429.079138	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1147573"	219.586601	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1704422"	446.105685	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1647732"	451.06108	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1576821"	467.03502	"C16418"	"Pinobanksin 3-O-acetate"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"809376"	270.0892	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M"	0
"980721"	251.07081	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"74433"	179.052190666667	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"511806"	269.081924	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"880982"	89.0224573333333	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"4904"	269.081924	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"446651"	404.126524	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"826639"	134.037324	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"88817"	539.171124	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"528377"	809.260324	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"903991"	269.081924	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"57271"	556.197671	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"492458"	826.286871	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"870259"	286.108471	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"33785"	561.153066	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"478814"	831.242266	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"854429"	291.063866	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1619831"	291.063866	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"95015"	287.070263	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"534858"	422.114863	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"928587"	152.025663	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"277597"	575.147802	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"671112"	845.237002	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1285703"	305.058602	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"26072"	577.127006	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"465633"	847.216206	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"846715"	307.037806	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1565831"	307.037806	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"953712"	315.087394	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"371564"	585.176601	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"358001"	599.192251	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1505375"	329.103051	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"964532"	337.069351	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"117815"	305.058602	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"559562"	440.103202	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1028361"	170.014002	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1249035"	349.008085	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1309296"	351.064072	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1328980"	373.046029	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"921132"	383.074786	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1301488"	419.051464	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1374911"	235.076524	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1384756"	253.0865	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"292097"	541.185676	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"683425"	811.274876	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1359776"	271.096476	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"134850"	271.096476	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"574412"	406.141076	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1048679"	136.051876	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"217675"	181.066742666667	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"658947"	271.096476	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1178298"	91.0370093333333	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"439747"	558.212223	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"799884"	828.301423	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1695606"	288.123023	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"344250"	279.6097495	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"737401"	414.6543495	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1490495"	144.5651495	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"405890"	563.167618	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"762510"	833.256818	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1616074"	293.078418	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"326113"	282.087447	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"719631"	417.132047	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1469074"	147.042847	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1063414"	98.3643233333333	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1271781"	303.122686	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"386948"	579.141558	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"753294"	849.230758	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1554011"	309.052358	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"309363"	290.074417	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"698504"	425.119017	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1457790"	155.029817	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"247486"	582.212226	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1219099"	312.123026	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1200794"	156.565151	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"195853"	585.14956	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"636506"	855.23876	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1138916"	315.06036	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"176377"	293.078418	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"620677"	428.123018	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1120171"	158.033818	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1401872"	105.691637333333	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1430705"	317.101946	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"221867"	298.11144	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1513214"	331.15399	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"411807"	301.065388	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"770980"	436.109988	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1665884"	166.020788	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"261130"	604.194168	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1232745"	334.104968	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1719445"	334.128493	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1184432"	113.018951333333	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1655786"	339.083888	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"164833"	617.09744	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"600019"	887.18664	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1084645"	347.00824	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"144629"	309.052358	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"588562"	444.096958	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1077451"	174.007758	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1107378"	349.022792	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1339386"	349.110407	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1007186"	353.149576	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1524581"	354.143208	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"995777"	177.078426	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1597937"	355.057828	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1423594"	385.089338	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1148413"	197.591701	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1704532"	402.115885	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1647842"	407.07128	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1576931"	423.04522	"C16419"	"Pinostrobin"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"804018"	209.08	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M"	0
"976819"	190.06161	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-H2O-H"	-19.01839
"76730"	138.379390666667	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M-3H"	-3.021828
"514103"	208.072724	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M-3H"	-3.021828
"885346"	68.6860573333333	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-3H"	-3.021828
"9388"	208.072724	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M-2H"	-2.014552
"444938"	312.612724	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M-2H"	-2.014552
"824562"	103.532724	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-2H"	-2.014552
"87833"	417.152724	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M-H"	-1.007276
"526300"	626.232724	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M-H"	-1.007276
"903006"	208.072724	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-H"	-1.007276
"53007"	434.179271	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M-2H+NH4"	16.019271
"492568"	643.259271	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M-2H+NH4"	16.019271
"868182"	225.099271	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-2H+NH4"	16.019271
"33895"	439.134666	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M-2H+Na"	20.974666
"476736"	648.214666	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M-2H+Na"	20.974666
"853444"	230.054666	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-2H+Na"	20.974666
"1618559"	230.054666	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Na-2H"	20.974666
"94418"	226.061063	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M-H+Cl"	33.962126
"534479"	330.601063	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M-H+Cl"	33.962126
"928697"	121.521063	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-H+Cl"	33.962126
"277707"	453.129402	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+Cl"	34.969402
"667942"	662.209402	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+Cl"	34.969402
"1285813"	244.049402	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Cl"	34.969402
"22902"	455.108606	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M-2H+K"	36.948606
"464650"	664.188606	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M-2H+K"	36.948606
"845732"	246.028606	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-2H+K"	36.948606
"1565941"	246.028606	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+K-2H"	36.948606
"950543"	254.078194	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-H+HCOOH"	44.998194
"370945"	463.158201	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+HCOOH-H"	44.998201
"358111"	477.173851	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+Hac-H"	59.013851
"1505849"	268.093851	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Hac-H"	59.013851
"962456"	276.060151	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-H+NaCOOH"	66.980151
"117925"	244.049402	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+2Cl"	69.938804
"559672"	348.589402	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+2Cl"	69.938804
"1028471"	139.509402	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2Cl"	69.938804
"1249145"	287.998885	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Br"	78.918885
"1309406"	290.054872	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Cl+HCOOH"	80.974872
"1329090"	312.036829	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Cl+NaCOOH"	102.956829
"921242"	322.065586	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M-H+CF3COOH"	112.985586
"1301233"	358.042264	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Cl+CF3COOH"	148.962264
"1375021"	174.067324	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H-2H2O"	-35.012676
"1385230"	192.0773	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H-H2O"	-17.0027
"292207"	419.167276	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+H"	1.007276
"682442"	628.247276	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+H"	1.007276
"1359886"	210.087276	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H"	1.007276
"132774"	210.087276	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+2H"	2.014552
"573429"	314.627276	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+2H"	2.014552
"1047695"	105.547276	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2H"	2.014552
"217785"	140.393942666667	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+3H"	3.021828
"659785"	210.087276	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+3H"	3.021828
"1177792"	70.7006093333333	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+3H"	3.021828
"439363"	436.193823	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+NH4"	18.033823
"799382"	645.273823	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+NH4"	18.033823
"1695715"	227.113823	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+NH4"	18.033823
"343629"	218.6005495	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+H+NH4"	19.041099
"737997"	323.1405495	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+H+NH4"	19.041099
"1490602"	114.0605495	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H+NH4"	19.041099
"407822"	441.149218	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+Na"	22.989218
"764805"	650.229218	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+Na"	22.989218
"1613996"	232.069218	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Na"	22.989218
"325130"	221.078247	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+H+Na"	23.996494
"719739"	325.618247	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+H+Na"	23.996494
"1469184"	116.538247	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H+Na"	23.996494
"1062430"	78.0279233333333	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2H+Na"	25.00377
"1272416"	242.113486	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+CH3OH+H"	33.033486
"384870"	457.123158	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+K"	38.963158
"753610"	666.203158	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+K"	38.963158
"1555052"	248.043158	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+K"	38.963158
"311296"	229.065217	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+H+K"	39.970434
"696427"	333.605217	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+H+K"	39.970434
"1458264"	124.525217	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H+K"	39.970434
"247959"	460.193826	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+ACN+H"	42.033826
"1219209"	251.113826	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+ACN+H"	42.033826
"1200903"	126.060551	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+ACN+2H"	43.041102
"195963"	463.13116	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+2Na-H"	44.97116
"636616"	672.21116	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+2Na-H"	44.97116
"1139026"	254.05116	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2Na-H"	44.97116
"176850"	232.069218	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+2Na"	45.978436
"620421"	336.609218	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+2Na"	45.978436
"1117000"	127.529218	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2Na"	45.978436
"1400888"	85.3552373333333	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H+2Na"	46.985712
"1430452"	256.092746	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H+HCOOH"	47.012746
"222341"	237.10224	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+3H2O+2H"	56.04448
"1513324"	270.14479	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+IsoProp+H"	61.06479
"412281"	240.056188	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+Na+K"	61.952376
"772913"	344.596188	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+Na+K"	61.952376
"1666445"	135.516188	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Na+K"	61.952376
"262333"	482.175768	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+ACN+Na"	64.015768
"1232853"	273.095768	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+ACN+Na"	64.015768
"1720646"	273.119293	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+NH4+HCOOH"	64.039293
"1188187"	92.6825513333333	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+3Na"	68.967654
"1660270"	278.074688	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Na+HCOOH"	68.994688
"160202"	495.07904	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+2K-H"	76.91904
"605595"	704.15904	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+2K-H"	76.91904
"1086213"	285.99904	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2K-H"	76.91904
"144738"	248.043158	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"2M+2K"	77.926316
"588672"	352.583158	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"3M+2K"	77.926316
"1079747"	143.503158	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2K"	77.926316
"1106395"	288.013592	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2K+H"	78.933592
"1337551"	288.101207	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+DMSO+H"	79.021207
"1007296"	292.140376	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2ACN+H"	83.060376
"1525058"	293.134008	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+IsoProp+Na+H"	84.054008
"995887"	146.573826	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+2ACN+2H"	84.067652
"1596954"	294.048628	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+K+HCOOH"	84.968628
"1423704"	324.080138	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+H+CF3COOH"	115.000138
"1149616"	167.087101	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+3ACN+2H"	125.094202
"1704642"	341.106685	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+NH4+CF3COOH"	132.026685
"1647952"	346.06208	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+Na+CF3COOH"	136.98208
"1577041"	362.03602	"C16420"	"4-Acetamido-2-amino-6-nitrotoluene"	"C9H11N3O3"	"209.08"	"M+K+CF3COOH"	152.95602
"804128"	193.052	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M"	0
"975473"	174.03361	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-H2O-H"	-19.01839
"69185"	127.694057333333	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M-3H"	-3.021828
"512026"	192.044724	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M-3H"	-3.021828
"883269"	63.3433906666667	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-3H"	-3.021828
"6217"	192.044724	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M-2H"	-2.014552
"442498"	288.570724	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M-2H"	-2.014552
"822486"	95.518724	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-2H"	-2.014552
"84663"	385.096724	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M-H"	-1.007276
"523128"	578.148724	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M-H"	-1.007276
"903116"	192.044724	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-H"	-1.007276
"54210"	402.123271	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M-2H+NH4"	16.019271
"490491"	595.175271	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M-2H+NH4"	16.019271
"868292"	209.071271	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-2H+NH4"	16.019271
"32911"	407.078666	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M-2H+Na"	20.974666
"475753"	600.130666	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M-2H+Na"	20.974666
"851367"	214.026666	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-2H+Na"	20.974666
"1618518"	214.026666	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Na-2H"	20.974666
"94427"	210.033063	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M-H+Cl"	33.962126
"534321"	306.559063	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M-H+Cl"	33.962126
"927666"	113.507063	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-H+Cl"	33.962126
"267158"	421.073402	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+Cl"	34.969402
"660168"	614.125402	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+Cl"	34.969402
"1277536"	228.021402	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Cl"	34.969402
"18269"	423.052606	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M-2H+K"	36.948606
"458560"	616.104606	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M-2H+K"	36.948606
"834173"	230.000606	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-2H+K"	36.948606
"1563862"	230.000606	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+K-2H"	36.948606
"946275"	238.050194	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-H+HCOOH"	44.998194
"366682"	431.102201	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+HCOOH-H"	44.998201
"351660"	445.117851	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+Hac-H"	59.013851
"1496118"	252.065851	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Hac-H"	59.013851
"961107"	260.032151	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-H+NaCOOH"	66.980151
"116941"	228.021402	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+2Cl"	69.938804
"557595"	324.547402	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+2Cl"	69.938804
"1025300"	131.495402	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2Cl"	69.938804
"1245975"	271.970885	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Br"	78.918885
"1305869"	274.026872	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Cl+HCOOH"	80.974872
"1325920"	296.008829	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Cl+NaCOOH"	102.956829
"918072"	306.037586	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M-H+CF3COOH"	112.985586
"1302436"	342.014264	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Cl+CF3COOH"	148.962264
"1375131"	158.039324	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H-2H2O"	-35.012676
"1384976"	176.0493	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H-H2O"	-17.0027
"291224"	387.111276	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+H"	1.007276
"682552"	580.163276	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+H"	1.007276
"1359996"	194.059276	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H"	1.007276
"132884"	194.059276	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+2H"	2.014552
"572444"	290.585276	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+2H"	2.014552
"1044524"	97.533276	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2H"	2.014552
"213519"	129.708609333333	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+3H"	3.021828
"658552"	194.059276	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+3H"	3.021828
"1178142"	65.3579426666667	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+3H"	3.021828
"438495"	404.137823	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+NH4"	18.033823
"798762"	597.189823	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+NH4"	18.033823
"1696311"	211.085823	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+NH4"	18.033823
"343009"	202.5725495	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+H+NH4"	19.041099
"736523"	299.0985495	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+H+NH4"	19.041099
"1489618"	106.0465495	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H+NH4"	19.041099
"402828"	409.093218	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+Na"	22.989218
"763818"	602.145218	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+Na"	22.989218
"1613012"	216.041218	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Na"	22.989218
"319772"	205.050247	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+H+Na"	23.996494
"716569"	301.576247	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+H+Na"	23.996494
"1468201"	108.524247	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H+Na"	23.996494
"1061447"	72.6852566666667	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2H+Na"	25.00377
"1271511"	226.085486	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+CH3OH+H"	33.033486
"381700"	425.067158	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+K"	38.963158
"753270"	618.119158	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+K"	38.963158
"1553501"	232.015158	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+K"	38.963158
"309582"	213.037217	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+H+K"	39.970434
"696535"	309.563217	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+H+K"	39.970434
"1448169"	116.511217	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H+K"	39.970434
"236771"	428.137826	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+ACN+H"	42.033826
"1217130"	235.085826	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+ACN+H"	42.033826
"1197732"	118.046551	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+ACN+2H"	43.041102
"192062"	431.07516	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+2Na-H"	44.97116
"632352"	624.12716	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+2Na-H"	44.97116
"1135856"	238.02316	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2Na-H"	44.97116
"177690"	216.041218	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+2Na"	45.978436
"616520"	312.567218	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+2Na"	45.978436
"1115766"	119.515218	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2Na"	45.978436
"1398764"	80.0125706666667	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H+2Na"	46.985712
"1430304"	240.064746	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H+HCOOH"	47.012746
"222087"	221.07424	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+3H2O+2H"	56.04448
"1513434"	254.11679	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+IsoProp+H"	61.06479
"412027"	224.028188	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+Na+K"	61.952376
"770836"	320.554188	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+Na+K"	61.952376
"1666070"	127.502188	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Na+K"	61.952376
"256975"	450.119768	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+ACN+Na"	64.015768
"1230775"	257.067768	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+ACN+Na"	64.015768
"1715652"	257.091293	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+NH4+HCOOH"	64.039293
"1187204"	87.3398846666667	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+3Na"	68.967654
"1659287"	262.046688	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Na+HCOOH"	68.994688
"160312"	463.02304	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+2K-H"	76.91904
"598046"	656.07504	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+2K-H"	76.91904
"1084623"	269.97104	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2K-H"	76.91904
"144848"	232.015158	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"2M+2K"	77.926316
"587689"	328.541158	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"3M+2K"	77.926316
"1077307"	135.489158	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2K"	77.926316
"1106505"	271.985592	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2K+H"	78.933592
"1336080"	272.073207	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+DMSO+H"	79.021207
"1005739"	276.112376	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2ACN+H"	83.060376
"1524357"	277.106008	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+IsoProp+Na+H"	84.054008
"995997"	138.559826	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+2ACN+2H"	84.067652
"1597064"	278.020628	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+K+HCOOH"	84.968628
"1423814"	308.052138	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+H+CF3COOH"	115.000138
"1149726"	159.073101	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+3ACN+2H"	125.094202
"1704752"	325.078685	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+NH4+CF3COOH"	132.026685
"1645875"	330.03408	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+Na+CF3COOH"	136.98208
"1577151"	346.00802	"C16421"	"AI-2;Autoinducer 2"	"C5H10BO7"	"193.052"	"M+K+CF3COOH"	152.95602
"804238"	464.1319	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M"	0
"976311"	445.11351	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-H2O-H"	-19.01839
"70388"	308.413990666667	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M-3H"	-3.021828
"512136"	463.124624	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M-3H"	-3.021828
"883379"	153.703357333333	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-3H"	-3.021828
"4138"	463.124624	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M-2H"	-2.014552
"444794"	695.190574	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M-2H"	-2.014552
"822595"	231.058674	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-2H"	-2.014552
"84772"	927.256524	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M-H"	-1.007276
"523602"	1391.388424	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M-H"	-1.007276
"903226"	463.124624	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-H"	-1.007276
"54320"	944.283071	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M-2H+NH4"	16.019271
"491694"	1408.414971	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M-2H+NH4"	16.019271
"867307"	480.151171	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-2H+NH4"	16.019271
"34115"	949.238466	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M-2H+Na"	20.974666
"475864"	1413.370366	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M-2H+Na"	20.974666
"851477"	485.106566	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-2H+Na"	20.974666
"1618630"	485.106566	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Na-2H"	20.974666
"94731"	481.112963	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M-H+Cl"	33.962126
"534461"	713.178913	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M-H+Cl"	33.962126
"928063"	249.047013	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-H+Cl"	33.962126
"267585"	963.233202	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+Cl"	34.969402
"660200"	1427.365102	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+Cl"	34.969402
"1278010"	499.101302	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Cl"	34.969402
"20565"	965.212406	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M-2H+K"	36.948606
"459398"	1429.344306	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M-2H+K"	36.948606
"833593"	501.080506	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-2H+K"	36.948606
"1555781"	501.080506	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+K-2H"	36.948606
"943141"	509.130094	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-H+HCOOH"	44.998194
"364605"	973.262001	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+HCOOH-H"	44.998201
"348489"	987.277651	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+Hac-H"	59.013851
"1495131"	523.145751	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Hac-H"	59.013851
"960848"	531.112051	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-H+NaCOOH"	66.980151
"110847"	499.101302	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+2Cl"	69.938804
"555152"	731.167252	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+2Cl"	69.938804
"1021838"	267.035352	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2Cl"	69.938804
"1245718"	543.050785	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Br"	78.918885
"1305614"	545.106772	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Cl+HCOOH"	80.974872
"1323476"	567.088729	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Cl+NaCOOH"	102.956829
"916359"	577.117486	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M-H+CF3COOH"	112.985586
"1302546"	613.094164	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Cl+CF3COOH"	148.962264
"1375241"	429.119224	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H-2H2O"	-35.012676
"1387271"	447.1292	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H-H2O"	-17.0027
"289147"	929.271076	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+H"	1.007276
"680475"	1393.402976	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+H"	1.007276
"1359012"	465.139176	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H"	1.007276
"131899"	465.139176	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+2H"	2.014552
"569637"	697.205126	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+2H"	2.014552
"1041352"	233.073226	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2H"	2.014552
"212534"	310.428542666667	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+3H"	3.021828
"655378"	465.139176	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+3H"	3.021828
"1177765"	155.717909333333	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+3H"	3.021828
"438971"	946.297623	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+NH4"	18.033823
"798871"	1410.429523	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+NH4"	18.033823
"1696055"	482.165723	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+NH4"	18.033823
"344209"	473.6524495	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+H+NH4"	19.041099
"738214"	705.7183995	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+H+NH4"	19.041099
"1489728"	241.5864995	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H+NH4"	19.041099
"405124"	951.253018	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+Na"	22.989218
"761741"	1415.384918	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+Na"	22.989218
"1613121"	487.121118	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Na"	22.989218
"319882"	476.130147	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+H+Na"	23.996494
"717772"	708.196097	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+H+Na"	23.996494
"1468311"	244.064197	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H+Na"	23.996494
"1058276"	163.045223333333	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2H+Na"	25.00377
"1267610"	497.165386	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+CH3OH+H"	33.033486
"381809"	967.226958	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+K"	38.963158
"748274"	1431.358858	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+K"	38.963158
"1550329"	503.095058	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+K"	38.963158
"304590"	484.117117	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+H+K"	39.970434
"692635"	716.183067	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+H+K"	39.970434
"1449371"	252.051167	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H+K"	39.970434
"236756"	970.297626	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+ACN+H"	42.033826
"1213230"	506.165726	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+ACN+H"	42.033826
"1197842"	253.586501	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+ACN+2H"	43.041102
"191807"	973.23496	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+2Na-H"	44.97116
"632461"	1437.36686	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+2Na-H"	44.97116
"1133778"	509.10306	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2Na-H"	44.97116
"173667"	487.121118	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+2Na"	45.978436
"614442"	719.187068	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+2Na"	45.978436
"1117218"	255.055168	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2Na"	45.978436
"1399159"	170.372537333333	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H+2Na"	46.985712
"1430463"	511.144646	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H+HCOOH"	47.012746
"220088"	492.15414	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+3H2O+2H"	56.04448
"1512450"	525.19669	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+IsoProp+H"	61.06479
"410678"	495.108088	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+Na+K"	61.952376
"773496"	727.174038	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+Na+K"	61.952376
"1667637"	263.042138	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Na+K"	61.952376
"254168"	992.279568	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+ACN+Na"	64.015768
"1226876"	528.147668	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+ACN+Na"	64.015768
"1716126"	528.171193	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+NH4+HCOOH"	64.039293
"1182941"	177.699851333333	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+3Na"	68.967654
"1654294"	533.126588	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Na+HCOOH"	68.994688
"159329"	1005.18284	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+2K-H"	76.91904
"598158"	1469.31474	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+2K-H"	76.91904
"1084813"	541.05094	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2K-H"	76.91904
"144958"	503.095058	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"2M+2K"	77.926316
"582574"	735.161008	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"3M+2K"	77.926316
"1068702"	271.029108	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2K"	77.926316
"1100901"	543.065492	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2K+H"	78.933592
"1336914"	543.153107	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+DMSO+H"	79.021207
"1006295"	547.192276	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2ACN+H"	83.060376
"1524907"	548.185908	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+IsoProp+Na+H"	84.054008
"990394"	274.099776	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+2ACN+2H"	84.067652
"1598267"	549.100528	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+K+HCOOH"	84.968628
"1423924"	579.132038	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+H+CF3COOH"	115.000138
"1148742"	294.613051	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+3ACN+2H"	125.094202
"1703769"	596.158585	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+NH4+CF3COOH"	132.026685
"1645985"	601.11398	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+Na+CF3COOH"	136.98208
"1577261"	617.08792	"C16422"	"Hesperetin 7-O-glucoside"	"C22H24O11"	"464.1319"	"M+K+CF3COOH"	152.95602
"804348"	580.1792	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M"	0
"976786"	561.16081	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-H2O-H"	-19.01839
"70498"	385.778857333333	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M-3H"	-3.021828
"512246"	579.171924	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M-3H"	-3.021828
"882395"	192.385790666667	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-3H"	-3.021828
"4250"	579.171924	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M-2H"	-2.014552
"443811"	869.261524	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M-2H"	-2.014552
"821611"	289.082324	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-2H"	-2.014552
"85975"	1159.351124	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M-H"	-1.007276
"525536"	1739.530324	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M-H"	-1.007276
"906619"	579.171924	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-H"	-1.007276
"59897"	1176.377671	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M-2H+NH4"	16.019271
"498366"	1756.556871	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M-2H+NH4"	16.019271
"876895"	596.198471	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-2H+NH4"	16.019271
"42974"	1181.333066	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M-2H+Na"	20.974666
"483632"	1761.512266	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M-2H+Na"	20.974666
"861430"	601.153866	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-2H+Na"	20.974666
"1625497"	601.153866	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Na-2H"	20.974666
"96558"	597.160263	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M-H+Cl"	33.962126
"537576"	887.249863	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M-H+Cl"	33.962126
"934007"	307.070663	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-H+Cl"	33.962126
"271105"	1195.327802	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+Cl"	34.969402
"663526"	1775.507002	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+Cl"	34.969402
"1279579"	615.148602	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Cl"	34.969402
"20676"	1197.307006	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M-2H+K"	36.948606
"461698"	1777.486206	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M-2H+K"	36.948606
"835122"	617.127806	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-2H+K"	36.948606
"1558610"	617.127806	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+K-2H"	36.948606
"944304"	625.177394	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-H+HCOOH"	44.998194
"365809"	1205.356601	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+HCOOH-H"	44.998201
"351880"	1219.372251	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+Hac-H"	59.013851
"1495244"	639.193051	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Hac-H"	59.013851
"967160"	647.159351	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-H+NaCOOH"	66.980151
"113150"	615.148602	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+2Cl"	69.938804
"558909"	905.238202	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+2Cl"	69.938804
"1027707"	325.059002	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2Cl"	69.938804
"1251663"	659.098085	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Br"	78.918885
"1313017"	661.154072	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Cl+HCOOH"	80.974872
"1326140"	683.136029	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Cl+NaCOOH"	102.956829
"915376"	693.164786	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M-H+CF3COOH"	112.985586
"1303956"	729.141464	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Cl+CF3COOH"	148.962264
"1382730"	545.166524	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H-2H2O"	-35.012676
"1395036"	563.1765	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H-H2O"	-17.0027
"292537"	1161.365676	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+H"	1.007276
"683865"	1741.544876	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+H"	1.007276
"1360212"	581.186476	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H"	1.007276
"132009"	581.186476	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+2H"	2.014552
"567924"	871.276076	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+2H"	2.014552
"1042555"	291.096876	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2H"	2.014552
"209364"	387.793409333333	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+3H"	3.021828
"653301"	581.186476	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+3H"	3.021828
"1178407"	194.400342666667	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+3H"	3.021828
"437988"	1178.392223	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+NH4"	18.033823
"799713"	1758.571423	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+NH4"	18.033823
"1696819"	598.213023	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+NH4"	18.033823
"344322"	589.6997495	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+H+NH4"	19.041099
"737109"	879.7893495	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+H+NH4"	19.041099
"1488745"	299.6101495	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H+NH4"	19.041099
"400861"	1183.347618	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+Na"	22.989218
"764037"	1763.526818	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+Na"	22.989218
"1615419"	603.168418	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Na"	22.989218
"325460"	592.177447	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+H+Na"	23.996494
"718976"	882.267047	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+H+Na"	23.996494
"1472795"	302.087847	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H+Na"	23.996494
"1063854"	201.727656666667	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2H+Na"	25.00377
"1269909"	613.212686	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+CH3OH+H"	33.033486
"384107"	1199.321558	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+K"	38.963158
"750571"	1779.500758	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+K"	38.963158
"1551533"	619.142358	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+K"	38.963158
"306521"	600.164417	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+H+K"	39.970434
"695661"	890.254017	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+H+K"	39.970434
"1454948"	310.074817	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H+K"	39.970434
"239177"	1202.392226	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+ACN+H"	42.033826
"1218443"	622.213026	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+ACN+H"	42.033826
"1197952"	311.610151	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+ACN+2H"	43.041102
"194469"	1205.32956	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+2Na-H"	44.97116
"636947"	1785.50876	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+2Na-H"	44.97116
"1139723"	625.15036	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2Na-H"	44.97116
"179735"	603.168418	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+2Na"	45.978436
"616739"	893.258018	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+2Na"	45.978436
"1124622"	313.078818	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2Na"	45.978436
"1401948"	209.054970666667	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H+2Na"	46.985712
"1431148"	627.191946	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H+HCOOH"	47.012746
"220956"	608.20144	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+3H2O+2H"	56.04448
"1508988"	641.24399	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+IsoProp+H"	61.06479
"412244"	611.155388	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+Na+K"	61.952376
"773604"	901.244988	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+Na+K"	61.952376
"1668839"	321.065788	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Na+K"	61.952376
"253183"	1224.374168	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+ACN+Na"	64.015768
"1228808"	644.194968	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+ACN+Na"	64.015768
"1714167"	644.218493	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+NH4+HCOOH"	64.039293
"1182320"	216.382284666667	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+3Na"	68.967654
"1650264"	649.173888	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Na+HCOOH"	68.994688
"157854"	1237.27744	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+2K-H"	76.91904
"598628"	1817.45664	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+2K-H"	76.91904
"1087149"	657.09824	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2K-H"	76.91904
"143357"	619.142358	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"2M+2K"	77.926316
"583283"	909.231958	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"3M+2K"	77.926316
"1070589"	329.052758	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2K"	77.926316
"1101375"	659.112792	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2K+H"	78.933592
"1336903"	659.200407	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+DMSO+H"	79.021207
"1006527"	663.239576	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2ACN+H"	83.060376
"1525869"	664.233208	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+IsoProp+Na+H"	84.054008
"990492"	332.123426	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+2ACN+2H"	84.067652
"1587434"	665.147828	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+K+HCOOH"	84.968628
"1421847"	695.179338	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+H+CF3COOH"	115.000138
"1148123"	352.636701	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+3ACN+2H"	125.094202
"1704972"	712.205885	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+NH4+CF3COOH"	132.026685
"1642815"	717.16128	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+Na+CF3COOH"	136.98208
"1577371"	733.13522	"C16423"	"Naringin chalcone"	"C27H32O14"	"580.1792"	"M+K+CF3COOH"	152.95602
"804458"	575.0583	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M"	0
"976166"	556.03991	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-H2O-H"	-19.01839
"71701"	382.364924	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M-3H"	-3.021828
"513449"	574.051024	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M-3H"	-3.021828
"884692"	190.678824	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-3H"	-3.021828
"7639"	574.051024	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M-2H"	-2.014552
"442828"	861.580174	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M-2H"	-2.014552
"822814"	286.521874	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-2H"	-2.014552
"83898"	1149.109324	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M-H"	-1.007276
"526738"	1724.167624	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M-H"	-1.007276
"904540"	574.051024	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-H"	-1.007276
"56727"	1166.135871	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M-2H+NH4"	16.019271
"499569"	1741.194171	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M-2H+NH4"	16.019271
"877735"	591.077571	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-2H+NH4"	16.019271
"40899"	1171.091266	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M-2H+Na"	20.974666
"476085"	1746.149566	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M-2H+Na"	20.974666
"858261"	596.032966	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-2H+Na"	20.974666
"1625610"	596.032966	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Na-2H"	20.974666
"97032"	592.039363	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M-H+Cl"	33.962126
"537686"	879.568513	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M-H+Cl"	33.962126
"935211"	304.510213	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-H+Cl"	33.962126
"271945"	1185.086002	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+Cl"	34.969402
"667282"	1760.144302	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+Cl"	34.969402
"1278597"	610.027702	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Cl"	34.969402
"19330"	1187.065206	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M-2H+K"	36.948606
"461808"	1762.123506	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M-2H+K"	36.948606
"835235"	612.006906	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-2H+K"	36.948606
"1557627"	612.006906	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+K-2H"	36.948606
"945512"	620.056494	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-H+HCOOH"	44.998194
"365919"	1195.114801	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+HCOOH-H"	44.998201
"351990"	1209.130451	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+Hac-H"	59.013851
"1496447"	634.072151	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Hac-H"	59.013851
"962897"	642.038451	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-H+NaCOOH"	66.980151
"112531"	610.027702	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+2Cl"	69.938804
"556833"	897.556852	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+2Cl"	69.938804
"1022714"	322.498552	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2Cl"	69.938804
"1241806"	653.977185	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Br"	78.918885
"1304740"	656.033172	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Cl+HCOOH"	80.974872
"1320781"	678.015129	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Cl+NaCOOH"	102.956829
"913662"	688.043886	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M-H+CF3COOH"	112.985586
"1288742"	724.020564	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Cl+CF3COOH"	148.962264
"1372178"	540.045624	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H-2H2O"	-35.012676
"1395143"	558.0556	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H-H2O"	-17.0027
"289365"	1151.123876	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+H"	1.007276
"681784"	1726.182176	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+H"	1.007276
"1358135"	576.065576	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H"	1.007276
"131026"	576.065576	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+2H"	2.014552
"568763"	863.594726	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+2H"	2.014552
"1040476"	288.536426	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2H"	2.014552
"209474"	384.379476	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+3H"	3.021828
"653411"	576.065576	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+3H"	3.021828
"1177257"	192.693376	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+3H"	3.021828
"438585"	1168.150423	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+NH4"	18.033823
"798728"	1743.208723	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+NH4"	18.033823
"1695061"	593.092123	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+NH4"	18.033823
"345620"	584.5788495	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+H+NH4"	19.041099
"738410"	872.1079995	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+H+NH4"	19.041099
"1489948"	297.0496995	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H+NH4"	19.041099
"403157"	1173.105818	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+Na"	22.989218
"764146"	1748.164118	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+Na"	22.989218
"1617352"	598.047518	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Na"	22.989218
"328483"	587.056547	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+H+Na"	23.996494
"716898"	874.585697	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+H+Na"	23.996494
"1472905"	299.527397	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H+Na"	23.996494
"1064693"	200.02069	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2H+Na"	25.00377
"1271112"	608.091786	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+CH3OH+H"	33.033486
"383123"	1189.079758	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+K"	38.963158
"749588"	1764.138058	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+K"	38.963158
"1552735"	614.021458	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+K"	38.963158
"305538"	595.043517	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+H+K"	39.970434
"695771"	882.572667	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+H+K"	39.970434
"1455058"	307.514367	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H+K"	39.970434
"241473"	1192.150426	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+ACN+H"	42.033826
"1216001"	617.092126	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+ACN+H"	42.033826
"1199885"	309.049701	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+ACN+2H"	43.041102
"197498"	1195.08776	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+2Na-H"	44.97116
"635963"	1770.14606	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+2Na-H"	44.97116
"1140563"	620.02946	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2Na-H"	44.97116
"179843"	598.047518	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+2Na"	45.978436
"615028"	885.576668	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+2Na"	45.978436
"1121816"	310.518368	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2Na"	45.978436
"1405703"	207.348004	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H+2Na"	46.985712
"1433080"	622.071046	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H+HCOOH"	47.012746
"220133"	603.08054	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+3H2O+2H"	56.04448
"1509259"	636.12309	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+IsoProp+H"	61.06479
"410163"	606.034488	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+Na+K"	61.952376
"771159"	893.563638	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+Na+K"	61.952376
"1667491"	318.505338	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Na+K"	61.952376
"252917"	1214.132368	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+ACN+Na"	64.015768
"1230011"	639.074068	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+ACN+Na"	64.015768
"1716708"	639.097593	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+NH4+HCOOH"	64.039293
"1180969"	214.675318	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+3Na"	68.967654
"1651954"	644.052988	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Na+HCOOH"	68.994688
"158693"	1227.03564	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+2K-H"	76.91904
"597643"	1802.09394	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+2K-H"	76.91904
"1086530"	651.97734	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2K-H"	76.91904
"143346"	614.021458	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"2M+2K"	77.926316
"583394"	901.550608	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"3M+2K"	77.926316
"1070334"	326.492308	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2K"	77.926316
"1100995"	653.991892	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2K+H"	78.933592
"1336165"	654.079507	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+DMSO+H"	79.021207
"1006033"	658.118676	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2ACN+H"	83.060376
"1528777"	659.112308	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+IsoProp+Na+H"	84.054008
"991945"	329.562976	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+2ACN+2H"	84.067652
"1587015"	660.026928	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+K+HCOOH"	84.968628
"1414905"	690.058438	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+H+CF3COOH"	115.000138
"1148595"	350.076251	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+3ACN+2H"	125.094202
"1705082"	707.084985	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+NH4+CF3COOH"	132.026685
"1642925"	712.04038	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+Na+CF3COOH"	136.98208
"1577481"	728.01432	"C16424"	"Isopentenyladenosine-5-triphosphate;Isopentenyl-ATP;N6-(Dimethylallyl)adenosine 5-triphosphate"	"C15H24N5O13P3"	"575.0583"	"M+K+CF3COOH"	152.95602
"810036"	495.092	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M"	0
"975912"	476.07361	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-H2O-H"	-19.01839
"69625"	329.054057333333	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M-3H"	-3.021828
"511373"	494.084724	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M-3H"	-3.021828
"888083"	164.023390666667	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-3H"	-3.021828
"2284"	494.084724	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M-2H"	-2.014552
"441235"	741.630724	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M-2H"	-2.014552
"819644"	246.538724	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-2H"	-2.014552
"84008"	989.176724	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M-H"	-1.007276
"527942"	1484.268724	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M-H"	-1.007276
"906837"	494.084724	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-H"	-1.007276
"60120"	1006.203271	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M-2H+NH4"	16.019271
"500651"	1501.295271	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M-2H+NH4"	16.019271
"875295"	511.111271	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-2H+NH4"	16.019271
"41008"	1011.158666	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M-2H+Na"	20.974666
"479476"	1506.250666	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M-2H+Na"	20.974666
"859464"	516.066666	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-2H+Na"	20.974666
"1621344"	516.066666	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Na-2H"	20.974666
"94711"	512.073063	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M-H+Cl"	33.962126
"541808"	759.619063	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M-H+Cl"	33.962126
"936416"	264.527063	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-H+Cl"	33.962126
"270598"	1025.153402	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+Cl"	34.969402
"666299"	1520.245402	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+Cl"	34.969402
"1278707"	530.061402	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Cl"	34.969402
"20168"	1027.132606	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M-2H+K"	36.948606
"461918"	1522.224606	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M-2H+K"	36.948606
"834980"	532.040606	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-2H+K"	36.948606
"1561021"	532.040606	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+K-2H"	36.948606
"943800"	540.090194	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-H+HCOOH"	44.998194
"366030"	1035.182201	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+HCOOH-H"	44.998201
"352100"	1049.197851	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+Hac-H"	59.013851
"1496558"	554.105851	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Hac-H"	59.013851
"964100"	562.072151	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-H+NaCOOH"	66.980151
"116287"	530.061402	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+2Cl"	69.938804
"550745"	777.607402	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+2Cl"	69.938804
"1025740"	282.515402	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2Cl"	69.938804
"1241751"	574.010885	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Br"	78.918885
"1305945"	576.066872	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Cl+HCOOH"	80.974872
"1320160"	598.048829	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Cl+NaCOOH"	102.956829
"912677"	608.077586	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M-H+CF3COOH"	112.985586
"1288811"	644.054264	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Cl+CF3COOH"	148.962264
"1370101"	460.079324	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H-2H2O"	-35.012676
"1391973"	478.0893	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H-H2O"	-17.0027
"286195"	991.191276	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+H"	1.007276
"679707"	1486.283276	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+H"	1.007276
"1354965"	496.099276	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H"	1.007276
"131136"	496.099276	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+2H"	2.014552
"568507"	743.645276	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+2H"	2.014552
"1041679"	248.553276	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2H"	2.014552
"208123"	331.068609333333	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+3H"	3.021828
"646957"	496.099276	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+3H"	3.021828
"1178302"	166.037942666667	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+3H"	3.021828
"439861"	1008.217823	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+NH4"	18.033823
"800786"	1503.309823	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+NH4"	18.033823
"1695171"	513.125823	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+NH4"	18.033823
"343083"	504.6125495	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+H+NH4"	19.041099
"735138"	752.1585495	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+H+NH4"	19.041099
"1490421"	257.0665495	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H+NH4"	19.041099
"402174"	1013.173218	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+Na"	22.989218
"762070"	1508.265218	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+Na"	22.989218
"1612357"	518.081218	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Na"	22.989218
"328835"	507.090247	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+H+Na"	23.996494
"717005"	754.636247	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+H+Na"	23.996494
"1474837"	259.544247	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H+Na"	23.996494
"1062979"	173.365256666667	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2H+Na"	25.00377
"1268669"	528.125486	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+CH3OH+H"	33.033486
"386512"	1029.147158	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+K"	38.963158
"746418"	1524.239158	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+K"	38.963158
"1548471"	534.055158	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+K"	38.963158
"306740"	515.077217	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+H+K"	39.970434
"698067"	762.623217	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+H+K"	39.970434
"1448242"	267.531217	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H+K"	39.970434
"247050"	1032.217826	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+ACN+H"	42.033826
"1213924"	537.125826	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+ACN+H"	42.033826
"1203641"	269.066551	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+ACN+2H"	43.041102
"196516"	1035.15516	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+2Na-H"	44.97116
"633522"	1530.24716	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+2Na-H"	44.97116
"1134840"	540.06316	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2Na-H"	44.97116
"173512"	518.081218	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+2Na"	45.978436
"614410"	765.627218	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+2Na"	45.978436
"1116050"	270.535218	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2Na"	45.978436
"1402898"	180.692570666667	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H+2Na"	46.985712
"1431369"	542.104746	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H+HCOOH"	47.012746
"220330"	523.11424	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+3H2O+2H"	56.04448
"1510220"	556.15679	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+IsoProp+H"	61.06479
"409546"	526.068188	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+Na+K"	61.952376
"770663"	773.614188	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+Na+K"	61.952376
"1667966"	278.522188	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Na+K"	61.952376
"252300"	1054.199768	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+ACN+Na"	64.015768
"1229390"	559.107768	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+ACN+Na"	64.015768
"1715724"	559.131293	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+NH4+HCOOH"	64.039293
"1181078"	188.019884666667	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+3Na"	68.967654
"1649995"	564.086688	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Na+HCOOH"	68.994688
"157953"	1067.10304	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+2K-H"	76.91904
"598120"	1562.19504	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+2K-H"	76.91904
"1085181"	572.01104	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2K-H"	76.91904
"141552"	534.055158	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"2M+2K"	77.926316
"582288"	781.601158	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"3M+2K"	77.926316
"1068989"	286.509158	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2K"	77.926316
"1099981"	574.025592	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2K+H"	78.933592
"1336642"	574.113207	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+DMSO+H"	79.021207
"1005716"	578.152376	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2ACN+H"	83.060376
"1526701"	579.146008	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+IsoProp+Na+H"	84.054008
"990962"	289.579826	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+2ACN+2H"	84.067652
"1587406"	580.060628	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+K+HCOOH"	84.968628
"1415131"	610.092138	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+H+CF3COOH"	115.000138
"1148338"	310.093101	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+3ACN+2H"	125.094202
"1705192"	627.118685	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+NH4+CF3COOH"	132.026685
"1643035"	632.07408	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+Na+CF3COOH"	136.98208
"1584152"	648.04802	"C16426"	"Isopentenyladenosine-5-diphosphate;Isopentenyl-ADP;N6-(Dimethylallyl)adenosine 5-diphosphate"	"C15H23N5O10P2"	"495.092"	"M+K+CF3COOH"	152.95602
"812333"	335.1594	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M"	0
"976023"	316.14101	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-H2O-H"	-19.01839
"69735"	222.432324	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M-3H"	-3.021828
"511483"	334.152124	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M-3H"	-3.021828
"888193"	110.712524	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-3H"	-3.021828
"2393"	334.152124	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M-2H"	-2.014552
"441952"	501.731824	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M-2H"	-2.014552
"819754"	166.572424	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-2H"	-2.014552
"85214"	669.311524	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M-H"	-1.007276
"526961"	1004.470924	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M-H"	-1.007276
"906950"	334.152124	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-H"	-1.007276
"58045"	686.338071	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M-2H+NH4"	16.019271
"497605"	1021.497471	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M-2H+NH4"	16.019271
"874313"	351.178671	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-2H+NH4"	16.019271
"42212"	691.293466	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M-2H+Na"	20.974666
"483959"	1026.452866	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M-2H+Na"	20.974666
"854472"	356.134066	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-2H+Na"	20.974666
"1624008"	356.134066	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Na-2H"	20.974666
"95065"	352.140463	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M-H+Cl"	33.962126
"538271"	519.720163	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M-H+Cl"	33.962126
"936527"	184.560763	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-H+Cl"	33.962126
"275082"	705.288202	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+Cl"	34.969402
"666409"	1040.447602	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+Cl"	34.969402
"1278817"	370.128802	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Cl"	34.969402
"24652"	707.267406	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M-2H+K"	36.948606
"463121"	1042.426806	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M-2H+K"	36.948606
"835455"	372.108006	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-2H+K"	36.948606
"1561131"	372.108006	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+K-2H"	36.948606
"944639"	380.157594	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-H+HCOOH"	44.998194
"365047"	715.317001	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+HCOOH-H"	44.998201
"353303"	729.332651	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+Hac-H"	59.013851
"1497762"	394.173251	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Hac-H"	59.013851
"964211"	402.139551	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-H+NaCOOH"	66.980151
"116399"	370.128802	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+2Cl"	69.938804
"550611"	537.708502	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+2Cl"	69.938804
"1026943"	202.549102	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2Cl"	69.938804
"1243607"	414.078285	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Br"	78.918885
"1304962"	416.134272	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Cl+HCOOH"	80.974872
"1319925"	438.116229	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Cl+NaCOOH"	102.956829
"911452"	448.144986	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M-H+CF3COOH"	112.985586
"1288533"	484.121664	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Cl+CF3COOH"	148.962264
"1370575"	300.146724	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H-2H2O"	-35.012676
"1394270"	318.1567	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H-H2O"	-17.0027
"286305"	671.326076	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+H"	1.007276
"679818"	1006.485476	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+H"	1.007276
"1352888"	336.166676	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H"	1.007276
"128328"	336.166676	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+2H"	2.014552
"569348"	503.746376	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+2H"	2.014552
"1041789"	168.586976	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2H"	2.014552
"206778"	224.446876	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+3H"	3.021828
"646702"	336.166676	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+3H"	3.021828
"1177235"	112.727076	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+3H"	3.021828
"438197"	688.352623	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+NH4"	18.033823
"800166"	1023.512023	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+NH4"	18.033823
"1695281"	353.193223	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+NH4"	18.033823
"344042"	344.6799495	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+H+NH4"	19.041099
"736341"	512.2596495	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+H+NH4"	19.041099
"1489067"	177.1002495	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H+NH4"	19.041099
"405199"	693.308018	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+Na"	22.989218
"766555"	1028.467418	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+Na"	22.989218
"1615747"	358.148618	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Na"	22.989218
"322505"	347.157647	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+H+Na"	23.996494
"717115"	514.737347	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+H+Na"	23.996494
"1472028"	179.577947	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H+Na"	23.996494
"1061994"	120.05439	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2H+Na"	25.00377
"1268049"	368.192886	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+CH3OH+H"	33.033486
"384435"	709.281958	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+K"	38.963158
"746528"	1044.441358	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+K"	38.963158
"1549673"	374.122558	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+K"	38.963158
"304663"	355.144617	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+H+K"	39.970434
"697085"	522.724317	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+H+K"	39.970434
"1448719"	187.564917	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H+K"	39.970434
"243881"	712.352626	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+ACN+H"	42.033826
"1222055"	377.193226	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+ACN+H"	42.033826
"1202660"	189.100251	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+ACN+2H"	43.041102
"195533"	715.28996	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+2Na-H"	44.97116
"633999"	1050.44936	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+2Na-H"	44.97116
"1133857"	380.13056	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2Na-H"	44.97116
"175689"	358.148618	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+2Na"	45.978436
"613792"	525.728318	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+2Na"	45.978436
"1116322"	190.568918	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2Na"	45.978436
"1399237"	127.381704	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H+2Na"	46.985712
"1431479"	382.172146	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H+HCOOH"	47.012746
"222995"	363.18164	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+3H2O+2H"	56.04448
"1509478"	396.22419	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+IsoProp+H"	61.06479
"409286"	366.135588	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+Na+K"	61.952376
"772475"	533.715288	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+Na+K"	61.952376
"1667709"	198.555888	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Na+K"	61.952376
"251878"	734.334568	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+ACN+Na"	64.015768
"1231320"	399.175168	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+ACN+Na"	64.015768
"1719113"	399.198693	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+NH4+HCOOH"	64.039293
"1180092"	134.709018	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+3Na"	68.967654
"1650103"	404.154088	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Na+HCOOH"	68.994688
"157363"	747.23784	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+2K-H"	76.91904
"597656"	1082.39724	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+2K-H"	76.91904
"1085165"	412.07844	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2K-H"	76.91904
"141496"	374.122558	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"2M+2K"	77.926316
"581825"	541.702258	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"3M+2K"	77.926316
"1069213"	206.542858	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2K"	77.926316
"1100076"	414.092992	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2K+H"	78.933592
"1335776"	414.180607	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+DMSO+H"	79.021207
"1005998"	418.219776	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2ACN+H"	83.060376
"1524220"	419.213408	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+IsoProp+Na+H"	84.054008
"990052"	209.613526	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+2ACN+2H"	84.067652
"1587514"	420.128028	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+K+HCOOH"	84.968628
"1414188"	450.159538	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+H+CF3COOH"	115.000138
"1148448"	230.126801	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+3ACN+2H"	125.094202
"1705302"	467.186085	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+NH4+CF3COOH"	132.026685
"1645332"	472.14148	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+Na+CF3COOH"	136.98208
"1584262"	488.11542	"C16427"	"Isopentenyl adenosine"	"C15H21N5O4"	"335.1594"	"M+K+CF3COOH"	152.95602
"815361"	591.0533	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M"	0
"978326"	572.03491	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-H2O-H"	-19.01839
"68754"	393.028257333333	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M-3H"	-3.021828
"505035"	590.046024	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M-3H"	-3.021828
"881742"	196.010490666667	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-3H"	-3.021828
"5785"	590.046024	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M-2H"	-2.014552
"445344"	885.572674	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M-2H"	-2.014552
"823143"	294.519374	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-2H"	-2.014552
"82041"	1181.099324	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M-H"	-1.007276
"523790"	1772.152624	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M-H"	-1.007276
"902685"	590.046024	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-H"	-1.007276
"53778"	1198.125871	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M-2H+NH4"	16.019271
"492610"	1789.179171	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M-2H+NH4"	16.019271
"870048"	607.072571	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-2H+NH4"	16.019271
"39044"	1203.081266	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M-2H+Na"	20.974666
"479698"	1794.134566	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M-2H+Na"	20.974666
"852028"	612.027966	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-2H+Na"	20.974666
"1623022"	612.027966	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Na-2H"	20.974666
"100279"	608.034363	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M-H+Cl"	33.962126
"538749"	903.561013	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M-H+Cl"	33.962126
"940889"	312.507713	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-H+Cl"	33.962126
"275197"	1217.076002	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+Cl"	34.969402
"668713"	1808.129302	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+Cl"	34.969402
"1281117"	626.022702	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Cl"	34.969402
"20392"	1219.055206	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M-2H+K"	36.948606
"463233"	1810.108506	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M-2H+K"	36.948606
"843223"	628.001906	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-2H+K"	36.948606
"1567807"	628.001906	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+K-2H"	36.948606
"952411"	636.051494	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-H+HCOOH"	44.998194
"369530"	1227.104801	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+HCOOH-H"	44.998201
"351228"	1241.120451	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+Hac-H"	59.013851
"1500059"	650.067151	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Hac-H"	59.013851
"961040"	658.033451	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-H+NaCOOH"	66.980151
"113229"	626.022702	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+2Cl"	69.938804
"552790"	921.549352	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+2Cl"	69.938804
"1021463"	330.496052	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2Cl"	69.938804
"1241528"	669.972185	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Br"	78.918885
"1307257"	672.028172	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Cl+HCOOH"	80.974872
"1323298"	694.010129	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Cl+NaCOOH"	102.956829
"913263"	704.038886	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M-H+CF3COOH"	112.985586
"1294346"	740.015564	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Cl+CF3COOH"	148.962264
"1373603"	556.040624	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H-2H2O"	-35.012676
"1395473"	574.0506	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H-H2O"	-17.0027
"289697"	1183.113876	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+H"	1.007276
"681024"	1774.167176	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+H"	1.007276
"1355186"	592.060576	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H"	1.007276
"130626"	592.060576	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+2H"	2.014552
"575291"	887.587226	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+2H"	2.014552
"1050656"	296.533926	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2H"	2.014552
"218314"	395.042809333333	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+3H"	3.021828
"659222"	592.060576	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+3H"	3.021828
"1177953"	198.025042666667	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+3H"	3.021828
"438785"	1200.140423	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+NH4"	18.033823
"796140"	1791.193723	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+NH4"	18.033823
"1692468"	609.087123	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+NH4"	18.033823
"338561"	600.5738495	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+H+NH4"	19.041099
"734266"	896.1004995	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+H+NH4"	19.041099
"1489180"	305.0471995	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H+NH4"	19.041099
"401298"	1205.095818	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+Na"	22.989218
"760105"	1796.149118	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+Na"	22.989218
"1604923"	614.042518	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Na"	22.989218
"319335"	603.051547	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+H+Na"	23.996494
"712852"	898.578197	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+H+Na"	23.996494
"1471045"	307.524897	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H+Na"	23.996494
"1058824"	205.352356666667	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2H+Na"	25.00377
"1267067"	624.086786	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+CH3OH+H"	33.033486
"386735"	1221.069758	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+K"	38.963158
"744447"	1812.123058	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+K"	38.963158
"1543222"	630.016458	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+K"	38.963158
"302587"	611.038517	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+H+K"	39.970434
"696099"	906.565167	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+H+K"	39.970434
"1451012"	315.511867	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H+K"	39.970434
"242895"	1224.140426	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+ACN+H"	42.033826
"1213051"	633.087126	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+ACN+H"	42.033826
"1200945"	317.047201	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+ACN+2H"	43.041102
"189807"	1227.07776	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+2Na-H"	44.97116
"632650"	1818.13106	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+2Na-H"	44.97116
"1131569"	636.02446	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2Na-H"	44.97116
"172995"	614.042518	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+2Na"	45.978436
"613529"	909.569168	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+2Na"	45.978436
"1115730"	318.515868	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2Na"	45.978436
"1398560"	212.679670666667	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H+2Na"	46.985712
"1430242"	638.066046	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H+HCOOH"	47.012746
"220012"	619.07554	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+3H2O+2H"	56.04448
"1508574"	652.11809	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+IsoProp+H"	61.06479
"408591"	622.029488	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+Na+K"	61.952376
"769938"	917.556138	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+Na+K"	61.952376
"1666038"	326.502838	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Na+K"	61.952376
"252029"	1246.122368	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+ACN+Na"	64.015768
"1229609"	655.069068	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+ACN+Na"	64.015768
"1715945"	655.092593	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+NH4+HCOOH"	64.039293
"1181300"	220.006984666667	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+3Na"	68.967654
"1650014"	660.047988	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Na+HCOOH"	68.994688
"160239"	1259.02564	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+2K-H"	76.91904
"597367"	1850.07894	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+2K-H"	76.91904
"1084464"	667.97234	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2K-H"	76.91904
"142334"	630.016458	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"2M+2K"	77.926316
"582307"	925.543108	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"3M+2K"	77.926316
"1068642"	334.489808	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2K"	77.926316
"1099916"	669.986892	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2K+H"	78.933592
"1335635"	670.074507	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+DMSO+H"	79.021207
"1005700"	674.113676	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2ACN+H"	83.060376
"1524854"	675.107308	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+IsoProp+Na+H"	84.054008
"990040"	337.560476	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+2ACN+2H"	84.067652
"1587134"	676.021928	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+K+HCOOH"	84.968628
"1416087"	706.053438	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+H+CF3COOH"	115.000138
"1147467"	358.073751	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+3ACN+2H"	125.094202
"1705412"	723.079985	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+NH4+CF3COOH"	132.026685
"1645442"	728.03538	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+Na+CF3COOH"	136.98208
"1584372"	744.00932	"C16428"	"trans-Zeatin riboside triphosphate"	"C15H24N5O14P3"	"591.0533"	"M+K+CF3COOH"	152.95602
"813647"	511.0869	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M"	0
"986454"	492.06851	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-H2O-H"	-19.01839
"65584"	339.717324	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M-3H"	-3.021828
"504050"	510.079624	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M-3H"	-3.021828
"886225"	169.355024	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-3H"	-3.021828
"6987"	510.079624	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M-2H"	-2.014552
"446547"	765.623074	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M-2H"	-2.014552
"821432"	254.536174	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-2H"	-2.014552
"81420"	1021.166524	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M-H"	-1.007276
"523900"	1532.253424	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M-H"	-1.007276
"902794"	510.079624	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-H"	-1.007276
"54253"	1038.193071	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M-2H+NH4"	16.019271
"492720"	1549.279971	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M-2H+NH4"	16.019271
"871251"	527.106171	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-2H+NH4"	16.019271
"38061"	1043.148466	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M-2H+Na"	20.974666
"479811"	1554.235366	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M-2H+Na"	20.974666
"851165"	532.061566	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-2H+Na"	20.974666
"1625320"	532.061566	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Na-2H"	20.974666
"102577"	528.067963	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M-H+Cl"	33.962126
"541047"	783.611413	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M-H+Cl"	33.962126
"937840"	272.524513	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-H+Cl"	33.962126
"271296"	1057.143202	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+Cl"	34.969402
"668822"	1568.230102	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+Cl"	34.969402
"1281227"	546.056302	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Cl"	34.969402
"20502"	1059.122406	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M-2H+K"	36.948606
"457876"	1570.209306	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M-2H+K"	36.948606
"841146"	548.035506	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-2H+K"	36.948606
"1564637"	548.035506	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+K-2H"	36.948606
"951426"	556.085094	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-H+HCOOH"	44.998194
"366360"	1067.172001	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+HCOOH-H"	44.998201
"351338"	1081.187651	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+Hac-H"	59.013851
"1501263"	570.100751	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Hac-H"	59.013851
"963337"	578.067051	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-H+NaCOOH"	66.980151
"116619"	546.056302	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+2Cl"	69.938804
"552900"	801.599752	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+2Cl"	69.938804
"1022792"	290.512852	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2Cl"	69.938804
"1244557"	590.005785	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Br"	78.918885
"1307003"	592.061772	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Cl+HCOOH"	80.974872
"1328875"	614.043729	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Cl+NaCOOH"	102.956829
"915560"	624.072486	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M-H+CF3COOH"	112.985586
"1293363"	660.049164	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Cl+CF3COOH"	148.962264
"1372620"	476.074224	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H-2H2O"	-35.012676
"1395583"	494.0842	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H-H2O"	-17.0027
"289807"	1023.181076	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+H"	1.007276
"682227"	1534.267976	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+H"	1.007276
"1354203"	512.094176	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H"	1.007276
"127455"	512.094176	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+2H"	2.014552
"571026"	767.637626	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+2H"	2.014552
"1047485"	256.550726	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2H"	2.014552
"215386"	341.731876	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+3H"	3.021828
"659335"	512.094176	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+3H"	3.021828
"1178306"	171.369576	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+3H"	3.021828
"438775"	1040.207623	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+NH4"	18.033823
"797344"	1551.294523	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+NH4"	18.033823
"1690391"	529.120723	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+NH4"	18.033823
"340859"	520.6074495	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+H+NH4"	19.041099
"736200"	776.1508995	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+H+NH4"	19.041099
"1486010"	265.0639995	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H+NH4"	19.041099
"404689"	1045.163018	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+Na"	22.989218
"761309"	1556.249918	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+Na"	22.989218
"1607221"	534.076118	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Na"	22.989218
"321632"	523.085147	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+H+Na"	23.996494
"715149"	778.628597	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+H+Na"	23.996494
"1473344"	267.541697	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H+Na"	23.996494
"1061122"	178.69689	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2H+Na"	25.00377
"1267177"	544.120386	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+CH3OH+H"	33.033486
"387211"	1061.136958	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+K"	38.963158
"745652"	1572.223858	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+K"	38.963158
"1542967"	550.050058	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+K"	38.963158
"302697"	531.072117	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+H+K"	39.970434
"696573"	786.615567	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+H+K"	39.970434
"1451123"	275.528667	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H+K"	39.970434
"238995"	1064.207626	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+ACN+H"	42.033826
"1212797"	553.120726	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+ACN+H"	42.033826
"1201784"	277.064001	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+ACN+2H"	43.041102
"191377"	1067.14496	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+2Na-H"	44.97116
"632032"	1578.23186	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+2Na-H"	44.97116
"1132618"	556.05806	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2Na-H"	44.97116
"174573"	534.076118	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+2Na"	45.978436
"614374"	789.619568	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+2Na"	45.978436
"1116538"	278.532668	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2Na"	45.978436
"1399702"	186.024204	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H+2Na"	46.985712
"1430842"	558.099646	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H+HCOOH"	47.012746
"220777"	539.10914	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+3H2O+2H"	56.04448
"1509207"	572.15169	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+IsoProp+H"	61.06479
"408851"	542.063088	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+Na+K"	61.952376
"770862"	797.606538	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+Na+K"	61.952376
"1666178"	286.519638	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Na+K"	61.952376
"252627"	1086.189568	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+ACN+Na"	64.015768
"1227896"	575.102668	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+ACN+Na"	64.015768
"1716783"	575.126193	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+NH4+HCOOH"	64.039293
"1181409"	193.351518	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+3Na"	68.967654
"1649920"	580.081588	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Na+HCOOH"	68.994688
"157134"	1099.09284	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+2K-H"	76.91904
"597268"	1610.17974	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+2K-H"	76.91904
"1084371"	588.00594	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2K-H"	76.91904
"142687"	550.050058	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"2M+2K"	77.926316
"581518"	805.593508	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"3M+2K"	77.926316
"1068946"	294.506608	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2K"	77.926316
"1100213"	590.020492	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2K+H"	78.933592
"1335749"	590.108107	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+DMSO+H"	79.021207
"1005751"	594.147276	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2ACN+H"	83.060376
"1525937"	595.140908	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+IsoProp+Na+H"	84.054008
"990064"	297.577276	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+2ACN+2H"	84.067652
"1587079"	596.055528	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+K+HCOOH"	84.968628
"1414736"	626.087038	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+H+CF3COOH"	115.000138
"1147052"	318.090551	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+3ACN+2H"	125.094202
"1702242"	643.113585	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+NH4+CF3COOH"	132.026685
"1640084"	648.06898	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+Na+CF3COOH"	136.98208
"1584482"	664.04292	"C16429"	"trans-Zeatin riboside diphosphate"	"C15H23N5O11P2"	"511.0869"	"M+K+CF3COOH"	152.95602
"813758"	431.1206	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M"	0
"989115"	412.10221	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H2O-H"	-19.01839
"68974"	286.406457333333	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-3H"	-3.021828
"509628"	430.113324	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-3H"	-3.021828
"887430"	142.699590666667	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-3H"	-3.021828
"9285"	430.113324	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H"	-2.014552
"445564"	645.673624	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H"	-2.014552
"822273"	214.553024	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H"	-2.014552
"85545"	861.233924	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-H"	-1.007276
"526197"	1292.354524	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-H"	-1.007276
"902909"	430.113324	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H"	-1.007276
"52542"	878.260471	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H+NH4"	16.019271
"491372"	1309.381071	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H+NH4"	16.019271
"870633"	447.139871	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H+NH4"	16.019271
"38167"	883.215866	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H+Na"	20.974666
"477729"	1314.336466	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H+Na"	20.974666
"852250"	452.095266	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H+Na"	20.974666
"1626159"	452.095266	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na-2H"	20.974666
"102688"	448.101663	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-H+Cl"	33.962126
"546623"	663.661963	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-H+Cl"	33.962126
"934673"	232.541363	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+Cl"	33.962126
"272138"	897.210602	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Cl"	34.969402
"665654"	1328.331202	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+Cl"	34.969402
"1276963"	466.090002	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl"	34.969402
"21707"	899.189806	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H+K"	36.948606
"462361"	1330.310406	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H+K"	36.948606
"841258"	468.069206	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H+K"	36.948606
"1563656"	468.069206	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K-2H"	36.948606
"954452"	476.118794	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+HCOOH"	44.998194
"363189"	907.239401	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+HCOOH-H"	44.998201
"351448"	921.255051	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Hac-H"	59.013851
"1500280"	490.134451	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Hac-H"	59.013851
"965635"	498.100751	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+NaCOOH"	66.980151
"120009"	466.090002	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2Cl"	69.938804
"558477"	681.650302	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2Cl"	69.938804
"1022533"	250.529702	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2Cl"	69.938804
"1242842"	510.039485	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Br"	78.918885
"1306021"	512.095472	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl+HCOOH"	80.974872
"1321331"	534.077429	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl+NaCOOH"	102.956829
"912755"	544.106186	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+CF3COOH"	112.985586
"1291287"	580.082864	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl+CF3COOH"	148.962264
"1376013"	396.107924	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H-2H2O"	-35.012676
"1389134"	414.1179	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H-H2O"	-17.0027
"289917"	863.248476	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H"	1.007276
"681245"	1294.369076	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H"	1.007276
"1357593"	432.127876	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H"	1.007276
"132668"	432.127876	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2H"	2.014552
"572229"	647.688176	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2H"	2.014552
"1047595"	216.567576	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2H"	2.014552
"215496"	288.421009333333	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+3H"	3.021828
"659651"	432.127876	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+3H"	3.021828
"1178414"	144.714142666667	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+3H"	3.021828
"438283"	880.275023	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+NH4"	18.033823
"795267"	1311.395623	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+NH4"	18.033823
"1692690"	449.154423	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+NH4"	18.033823
"340969"	440.6411495	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H+NH4"	19.041099
"732298"	656.2014495	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H+NH4"	19.041099
"1487942"	225.0808495	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+NH4"	19.041099
"402612"	885.230418	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Na"	22.989218
"755952"	1316.351018	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+Na"	22.989218
"1607331"	454.109818	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na"	22.989218
"323929"	443.118847	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H+Na"	23.996494
"715259"	658.679147	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H+Na"	23.996494
"1471266"	227.558547	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+Na"	23.996494
"1061232"	152.041456666667	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2H+Na"	25.00377
"1269471"	464.154086	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+CH3OH+H"	33.033486
"387685"	901.204358	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+K"	38.963158
"749043"	1332.324958	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+K"	38.963158
"1549640"	470.083758	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K"	38.963158
"302807"	451.105817	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H+K"	39.970434
"698507"	666.666117	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H+K"	39.970434
"1448318"	235.545517	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+K"	39.970434
"245304"	904.275026	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+ACN+H"	42.033826
"1214731"	473.154426	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+ACN+H"	42.033826
"1202990"	237.080851	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+ACN+2H"	43.041102
"190151"	907.21236	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2Na-H"	44.97116
"631413"	1338.33296	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2Na-H"	44.97116
"1132242"	476.09176	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2Na-H"	44.97116
"174320"	454.109818	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2Na"	45.978436
"613509"	669.670118	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2Na"	45.978436
"1116768"	238.549518	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2Na"	45.978436
"1399326"	159.368770666667	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+2Na"	46.985712
"1430952"	478.133346	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+HCOOH"	47.012746
"221012"	459.14284	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+3H2O+2H"	56.04448
"1509194"	492.18539	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+IsoProp+H"	61.06479
"409488"	462.096788	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Na+K"	61.952376
"770485"	677.657088	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+Na+K"	61.952376
"1666449"	246.536488	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na+K"	61.952376
"251676"	926.256968	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+ACN+Na"	64.015768
"1229469"	495.136368	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+ACN+Na"	64.015768
"1716168"	495.159893	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+NH4+HCOOH"	64.039293
"1181885"	166.696084666667	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+3Na"	68.967654
"1652506"	500.115288	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na+HCOOH"	68.994688
"158029"	939.16024	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2K-H"	76.91904
"598804"	1370.28084	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2K-H"	76.91904
"1084520"	508.03964	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2K-H"	76.91904
"141701"	470.083758	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2K"	77.926316
"582364"	685.644058	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2K"	77.926316
"1069419"	254.523458	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2K"	77.926316
"1100564"	510.054192	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2K+H"	78.933592
"1335982"	510.141807	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+DMSO+H"	79.021207
"1005964"	514.180976	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2ACN+H"	83.060376
"1529327"	515.174608	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+IsoProp+Na+H"	84.054008
"990175"	257.594126	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2ACN+2H"	84.067652
"1587473"	516.089228	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K+HCOOH"	84.968628
"1414432"	546.120738	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+CF3COOH"	115.000138
"1147682"	278.107401	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+3ACN+2H"	125.094202
"1703445"	563.147285	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+NH4+CF3COOH"	132.026685
"1646754"	568.10268	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na+CF3COOH"	136.98208
"1584592"	584.07662	"C16430"	"trans-Zeatin riboside  monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K+CF3COOH"	152.95602
"811679"	351.1543	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M"	0
"976827"	332.13591	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H2O-H"	-19.01839
"70175"	233.095590666667	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-3H"	-3.021828
"513016"	350.147024	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-3H"	-3.021828
"893980"	116.044157333333	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-3H"	-3.021828
"11582"	350.147024	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H"	-2.014552
"443488"	525.724174	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H"	-2.014552
"824570"	174.569874	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H"	-2.014552
"82002"	701.301324	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-H"	-1.007276
"522294"	1052.455624	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-H"	-1.007276
"898274"	350.147024	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H"	-1.007276
"51193"	718.327871	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H+NH4"	16.019271
"491482"	1069.482171	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H+NH4"	16.019271
"869285"	367.173571	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H+NH4"	16.019271
"38279"	723.283266	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H+Na"	20.974666
"474316"	1074.437566	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H+Na"	20.974666
"849564"	372.128966	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H+Na"	20.974666
"1621531"	372.128966	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na-2H"	20.974666
"98060"	368.135363	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-H+Cl"	33.962126
"541267"	543.712513	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-H+Cl"	33.962126
"934783"	192.558213	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+Cl"	33.962126
"272248"	737.278002	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Cl"	34.969402
"665764"	1088.432302	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+Cl"	34.969402
"1278165"	386.123702	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl"	34.969402
"22910"	739.257206	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H+K"	36.948606
"463564"	1090.411506	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H+K"	36.948606
"842461"	388.102906	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H+K"	36.948606
"1565952"	388.102906	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K-2H"	36.948606
"954926"	396.152494	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+HCOOH"	44.998194
"365486"	747.306801	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+HCOOH-H"	44.998201
"352651"	761.322451	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Hac-H"	59.013851
"1502577"	410.168151	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Hac-H"	59.013851
"966838"	418.134451	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+NaCOOH"	66.980151
"121213"	386.123702	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2Cl"	69.938804
"558587"	561.700852	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2Cl"	69.938804
"1023012"	210.546552	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2Cl"	69.938804
"1249151"	430.073185	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Br"	78.918885
"1310505"	432.129172	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl+HCOOH"	80.974872
"1323628"	454.111129	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl+NaCOOH"	102.956829
"915781"	464.139886	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+CF3COOH"	112.985586
"1290668"	500.116564	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl+CF3COOH"	148.962264
"1380499"	316.141624	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H-2H2O"	-35.012676
"1394712"	334.1516	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H-H2O"	-17.0027
"295495"	703.315876	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H"	1.007276
"686822"	1054.470176	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H"	1.007276
"1355515"	352.161576	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H"	1.007276
"130591"	352.161576	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2H"	2.014552
"571245"	527.738726	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2H"	2.014552
"1042232"	176.584426	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2H"	2.014552
"207947"	235.110142666667	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+3H"	3.021828
"659550"	352.161576	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+3H"	3.021828
"1178325"	118.058709333333	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+3H"	3.021828
"439847"	720.342423	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+NH4"	18.033823
"795377"	1071.496723	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+NH4"	18.033823
"1689519"	369.188123	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+NH4"	18.033823
"339984"	360.6748495	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H+NH4"	19.041099
"730221"	536.2519995	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H+NH4"	19.041099
"1489510"	185.0976995	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+NH4"	19.041099
"402722"	725.297818	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Na"	22.989218
"766634"	1076.452118	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+Na"	22.989218
"1609628"	374.143518	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na"	22.989218
"318572"	363.152547	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H+Na"	23.996494
"712088"	538.729697	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H+Na"	23.996494
"1474656"	187.575397	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+Na"	23.996494
"1065714"	125.386023333333	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2H+Na"	25.00377
"1264114"	384.187786	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+CH3OH+H"	33.033486
"382691"	741.271758	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+K"	38.963158
"742593"	1092.426058	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+K"	38.963158
"1541364"	390.117458	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K"	38.963158
"300729"	371.139517	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H+K"	39.970434
"696793"	546.716667	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H+K"	39.970434
"1448063"	195.562367	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+K"	39.970434
"237760"	744.342426	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+ACN+H"	42.033826
"1214841"	393.188126	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+ACN+H"	42.033826
"1202008"	197.097701	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+ACN+2H"	43.041102
"190140"	747.27976	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2Na-H"	44.97116
"632251"	1098.43406	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2Na-H"	44.97116
"1133568"	396.12546	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2Na-H"	44.97116
"175039"	374.143518	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2Na"	45.978436
"613174"	549.720668	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2Na"	45.978436
"1115908"	198.566368	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2Na"	45.978436
"1400531"	132.713337333333	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+2Na"	46.985712
"1431917"	398.167046	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+HCOOH"	47.012746
"221243"	379.17654	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+3H2O+2H"	56.04448
"1509309"	412.21909	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+IsoProp+H"	61.06479
"408871"	382.130488	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Na+K"	61.952376
"771451"	557.707638	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+Na+K"	61.952376
"1666319"	206.553338	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na+K"	61.952376
"252114"	766.324368	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+ACN+Na"	64.015768
"1230672"	415.170068	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+ACN+Na"	64.015768
"1715547"	415.193593	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+NH4+HCOOH"	64.039293
"1181265"	140.040651333333	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+3Na"	68.967654
"1651399"	420.148988	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na+HCOOH"	68.994688
"159232"	779.22764	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2K-H"	76.91904
"599157"	1130.38194	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2K-H"	76.91904
"1085122"	428.07334	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2K-H"	76.91904
"143272"	390.117458	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2K"	77.926316
"583318"	565.694608	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2K"	77.926316
"1069288"	214.540308	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2K"	77.926316
"1100675"	430.087892	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2K+H"	78.933592
"1336094"	430.175507	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+DMSO+H"	79.021207
"1005957"	434.214676	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2ACN+H"	83.060376
"1526157"	435.208308	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+IsoProp+Na+H"	84.054008
"991752"	217.610976	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2ACN+2H"	84.067652
"1587180"	436.122928	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K+HCOOH"	84.968628
"1414258"	466.154438	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+CF3COOH"	115.000138
"1147792"	238.124251	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+3ACN+2H"	125.094202
"1703555"	483.180985	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+NH4+CF3COOH"	132.026685
"1646864"	488.13638	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na+CF3COOH"	136.98208
"1584702"	504.11032	"C16431"	"trans-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K+CF3COOH"	152.95602
"810696"	158.0691	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M"	0
"976573"	139.05071	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-H2O-H"	-19.01839
"70285"	104.372124	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M-3H"	-3.021828
"513126"	157.061824	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M-3H"	-3.021828
"893118"	51.682424	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-3H"	-3.021828
"11692"	157.061824	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M-2H"	-2.014552
"441896"	236.096374	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M-2H"	-2.014552
"824680"	78.027274	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-2H"	-2.014552
"80291"	315.130924	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M-H"	-1.007276
"525321"	473.200024	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M-H"	-1.007276
"898749"	157.061824	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-H"	-1.007276
"53127"	332.157471	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M-2H+NH4"	16.019271
"493780"	490.226571	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M-2H+NH4"	16.019271
"872675"	174.088371	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-2H+NH4"	16.019271
"37296"	337.112866	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M-2H+Na"	20.974666
"473212"	495.181966	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M-2H+Na"	20.974666
"851742"	179.043766	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-2H+Na"	20.974666
"1622004"	179.043766	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Na-2H"	20.974666
"97806"	175.050163	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M-H+Cl"	33.962126
"544657"	254.084713	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M-H+Cl"	33.962126
"931613"	96.015613	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-H+Cl"	33.962126
"267982"	351.107602	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+Cl"	34.969402
"663687"	509.176702	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+Cl"	34.969402
"1275725"	193.038502	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Cl"	34.969402
"20834"	353.086806	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M-2H+K"	36.948606
"461488"	511.155906	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M-2H+K"	36.948606
"842572"	195.017706	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-2H+K"	36.948606
"1561688"	195.017706	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+K-2H"	36.948606
"949570"	203.067294	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-H+HCOOH"	44.998194
"364503"	361.136401	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+HCOOH-H"	44.998201
"352761"	375.152051	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+Hac-H"	59.013851
"1502687"	217.082951	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Hac-H"	59.013851
"966948"	225.049251	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-H+NaCOOH"	66.980151
"116949"	193.038502	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+2Cl"	69.938804
"557604"	272.073052	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+2Cl"	69.938804
"1026402"	114.003952	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2Cl"	69.938804
"1245980"	236.987985	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Br"	78.918885
"1310615"	239.043972	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Cl+HCOOH"	80.974872
"1321916"	261.025929	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Cl+NaCOOH"	102.956829
"913339"	271.054686	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M-H+CF3COOH"	112.985586
"1290414"	307.031364	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Cl+CF3COOH"	148.962264
"1380609"	123.056424	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H-2H2O"	-35.012676
"1389355"	141.0664	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H-H2O"	-17.0027
"295605"	317.145476	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+H"	1.007276
"689485"	475.214576	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+H"	1.007276
"1360000"	159.076376	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H"	1.007276
"128515"	159.076376	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+2H"	2.014552
"570262"	238.110926	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+2H"	2.014552
"1041249"	80.041826	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2H"	2.014552
"206964"	106.386676	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+3H"	3.021828
"659416"	159.076376	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+3H"	3.021828
"1178144"	53.696976	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+3H"	3.021828
"439233"	334.172023	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+NH4"	18.033823
"793300"	492.241123	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+NH4"	18.033823
"1689629"	176.102923	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+NH4"	18.033823
"339001"	167.5896495	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+H+NH4"	19.041099
"725957"	246.6241995	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+H+NH4"	19.041099
"1488527"	88.5550995	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H+NH4"	19.041099
"401739"	339.127418	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+Na"	22.989218
"764922"	497.196518	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+Na"	22.989218
"1607552"	181.058318	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Na"	22.989218
"325246"	170.067347	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+H+Na"	23.996494
"715478"	249.101897	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+H+Na"	23.996494
"1469300"	91.032797	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H+Na"	23.996494
"1065460"	61.02429	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2H+Na"	25.00377
"1264224"	191.102586	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+CH3OH+H"	33.033486
"382801"	355.101358	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+K"	38.963158
"742703"	513.170458	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+K"	38.963158
"1540132"	197.032258	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+K"	38.963158
"303027"	178.054317	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+H+K"	39.970434
"697632"	257.088867	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+H+K"	39.970434
"1447809"	99.019767	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H+K"	39.970434
"240057"	358.172026	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+ACN+H"	42.033826
"1214951"	200.102926	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+ACN+H"	42.033826
"1198109"	100.555101	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+ACN+2H"	43.041102
"189643"	361.10936	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+2Na-H"	44.97116
"629324"	519.17846	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+2Na-H"	44.97116
"1132587"	203.04026	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2Na-H"	44.97116
"176610"	181.058318	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+2Na"	45.978436
"615076"	260.092868	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+2Na"	45.978436
"1116021"	102.023768	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2Na"	45.978436
"1399187"	68.351604	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H+2Na"	46.985712
"1431298"	205.081846	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H+HCOOH"	47.012746
"221362"	186.09134	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+3H2O+2H"	56.04448
"1509421"	219.13389	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+IsoProp+H"	61.06479
"408566"	189.045288	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+Na+K"	61.952376
"770831"	268.079838	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+Na+K"	61.952376
"1666433"	110.010738	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Na+K"	61.952376
"251434"	380.153968	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+ACN+Na"	64.015768
"1231875"	222.084868	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+ACN+Na"	64.015768
"1714927"	222.108393	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+NH4+HCOOH"	64.039293
"1181739"	75.678918	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+3Na"	68.967654
"1651145"	227.063788	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Na+HCOOH"	68.994688
"159342"	393.05724	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+2K-H"	76.91904
"600242"	551.12634	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+2K-H"	76.91904
"1084627"	234.98814	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2K-H"	76.91904
"141726"	197.032258	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"2M+2K"	77.926316
"581971"	276.066808	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"3M+2K"	77.926316
"1068754"	117.997708	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2K"	77.926316
"1100296"	237.002692	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2K+H"	78.933592
"1335699"	237.090307	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+DMSO+H"	79.021207
"1005725"	241.129476	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2ACN+H"	83.060376
"1524169"	242.123108	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+IsoProp+Na+H"	84.054008
"990766"	121.068376	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+2ACN+2H"	84.067652
"1587055"	243.037728	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+K+HCOOH"	84.968628
"1414452"	273.069238	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+H+CF3COOH"	115.000138
"1147538"	141.581651	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+3ACN+2H"	125.094202
"1703665"	290.095785	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+NH4+CF3COOH"	132.026685
"1646974"	295.05118	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+Na+CF3COOH"	136.98208
"1584812"	311.02512	"C16432"	"5-Hydroxyectoine"	"C6H10N2O3"	"158.0691"	"M+K+CF3COOH"	152.95602
"812993"	133.0375	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M"	0
"982151"	114.01911	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H2O-H"	-19.01839
"73678"	87.6843906666667	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-3H"	-3.021828
"513238"	132.030224	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-3H"	-3.021828
"891040"	43.3385573333333	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-3H"	-3.021828
"11802"	132.030224	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H"	-2.014552
"442615"	198.548974	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H"	-2.014552
"824790"	65.511474	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H"	-2.014552
"82592"	265.067724	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-H"	-1.007276
"523246"	398.105224	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-H"	-1.007276
"901415"	132.030224	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H"	-1.007276
"56517"	282.094271	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H+NH4"	16.019271
"497170"	415.131771	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H+NH4"	16.019271
"873879"	149.056771	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H+NH4"	16.019271
"39593"	287.049666	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H+Na"	20.974666
"476966"	420.087166	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H+Na"	20.974666
"856955"	154.012166	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H+Na"	20.974666
"1624302"	154.012166	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na-2H"	20.974666
"100831"	150.018563	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-H+Cl"	33.962126
"544767"	216.537313	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-H+Cl"	33.962126
"931724"	83.499813	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+Cl"	33.962126
"272469"	301.044402	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Cl"	34.969402
"667078"	434.081902	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+Cl"	34.969402
"1280575"	168.006902	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl"	34.969402
"23132"	303.023606	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M-2H+K"	36.948606
"467067"	436.061106	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M-2H+K"	36.948606
"846693"	169.986106	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-2H+K"	36.948606
"1566173"	169.986106	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K-2H"	36.948606
"949681"	178.035694	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+HCOOH"	44.998194
"370082"	311.073201	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+HCOOH-H"	44.998201
"357246"	325.088851	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Hac-H"	59.013851
"1502433"	192.051351	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Hac-H"	59.013851
"965965"	200.017651	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+NaCOOH"	66.980151
"119246"	168.006902	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2Cl"	69.938804
"563180"	234.525652	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2Cl"	69.938804
"1028700"	101.488152	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2Cl"	69.938804
"1250465"	211.956385	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Br"	78.918885
"1307447"	214.012372	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl+HCOOH"	80.974872
"1324944"	235.994329	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl+NaCOOH"	102.956829
"916001"	246.023086	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M-H+CF3COOH"	112.985586
"1297087"	281.999764	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Cl+CF3COOH"	148.962264
"1378533"	98.024824	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H-2H2O"	-35.012676
"1392747"	116.0348	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H-H2O"	-17.0027
"295716"	267.082276	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H"	1.007276
"689231"	400.119776	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H"	1.007276
"1360110"	134.044776	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H"	1.007276
"132999"	134.044776	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2H"	2.014552
"570372"	200.563526	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2H"	2.014552
"1046826"	67.526026	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2H"	2.014552
"206345"	89.6989426666667	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+3H"	3.021828
"659569"	134.044776	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+3H"	3.021828
"1177890"	45.3531093333333	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+3H"	3.021828
"439466"	284.108823	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+NH4"	18.033823
"791223"	417.146323	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+NH4"	18.033823
"1689739"	151.071323	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+NH4"	18.033823
"341300"	142.5580495	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H+NH4"	19.041099
"724975"	209.0767995	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H+NH4"	19.041099
"1482076"	76.0392995	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+NH4"	19.041099
"399662"	289.064218	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Na"	22.989218
"761751"	422.101718	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+Na"	22.989218
"1604383"	156.026718	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na"	22.989218
"324263"	145.035747	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H+Na"	23.996494
"713403"	211.554497	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H+Na"	23.996494
"1468320"	78.516997	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+Na"	23.996494
"1063749"	52.6804233333333	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2H+Na"	25.00377
"1265428"	166.070986	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+CH3OH+H"	33.033486
"382913"	305.038158	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+K"	38.963158
"746094"	438.075658	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+K"	38.963158
"1544501"	172.000658	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K"	38.963158
"301313"	153.022717	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+H+K"	39.970434
"698836"	219.541467	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+H+K"	39.970434
"1448647"	86.503967	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+K"	39.970434
"241261"	308.108826	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+ACN+H"	42.033826
"1214332"	175.071326	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+ACN+H"	42.033826
"1201135"	88.039301	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+ACN+2H"	43.041102
"191455"	311.04616	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2Na-H"	44.97116
"630650"	444.08366	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2Na-H"	44.97116
"1133428"	178.00866	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2Na-H"	44.97116
"175627"	156.026718	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2Na"	45.978436
"614457"	222.545468	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2Na"	45.978436
"1117596"	89.507968	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2Na"	45.978436
"1402581"	60.0077373333333	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+2Na"	46.985712
"1431777"	180.050246	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+HCOOH"	47.012746
"223661"	161.05974	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+3H2O+2H"	56.04448
"1510991"	194.10229	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+IsoProp+H"	61.06479
"410309"	164.013688	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+Na+K"	61.952376
"770702"	230.532438	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+Na+K"	61.952376
"1667276"	97.494938	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na+K"	61.952376
"255979"	330.090768	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+ACN+Na"	64.015768
"1226868"	197.053268	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+ACN+Na"	64.015768
"1712837"	197.076793	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+NH4+HCOOH"	64.039293
"1178633"	67.3350513333333	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+3Na"	68.967654
"1650113"	202.032188	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na+HCOOH"	68.994688
"157496"	342.99404	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2K-H"	76.91904
"598028"	476.03154	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2K-H"	76.91904
"1085212"	209.95654	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2K-H"	76.91904
"142030"	172.000658	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"2M+2K"	77.926316
"583411"	238.519408	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"3M+2K"	77.926316
"1069142"	105.481908	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2K"	77.926316
"1101378"	211.971092	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2K+H"	78.933592
"1336307"	212.058707	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+DMSO+H"	79.021207
"1005887"	216.097876	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2ACN+H"	83.060376
"1524345"	217.091508	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+IsoProp+Na+H"	84.054008
"990016"	108.552576	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+2ACN+2H"	84.067652
"1587314"	218.006128	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K+HCOOH"	84.968628
"1414268"	248.037638	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+H+CF3COOH"	115.000138
"1149115"	129.065851	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+3ACN+2H"	125.094202
"1698303"	265.064185	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+NH4+CF3COOH"	132.026685
"1640522"	270.01958	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+Na+CF3COOH"	136.98208
"1584922"	285.99352	"C16433"	"Aspartate;Aspartic acid"	"C4H7NO4"	"133.0375"	"M+K+CF3COOH"	152.95602
"810916"	131.0946	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M"	0
"977157"	112.07621	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"70505"	86.389124	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"513349"	130.087324	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"891150"	42.690924	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"4622"	130.087324	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"441996"	195.634624	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"823077"	64.540024	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"80150"	261.181924	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"520804"	392.276524	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"899701"	130.087324	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"52617"	278.208471	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"497280"	409.303071	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"870709"	147.113871	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"41889"	283.163866	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"478170"	414.258466	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"854149"	152.069266	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1622953"	152.069266	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"98755"	148.075663	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"543784"	213.622963	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"927823"	82.528363	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"269298"	297.158602	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"663908"	428.253202	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1280685"	166.064002	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"23242"	299.137806	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"461710"	430.232406	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"846074"	168.043206	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1568105"	168.043206	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"949791"	176.092794	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"373472"	307.187401	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"357356"	321.203051	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1504730"	190.108451	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"968991"	198.074751	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"117170"	166.064002	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"561469"	231.611302	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1032090"	100.516702	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1249481"	210.013485	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1308650"	212.069472	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1322867"	234.051429	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"916111"	244.080186	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1296104"	280.056864	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1378646"	96.081924	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1393952"	114.0919	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"295462"	263.196476	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"688612"	394.291076	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1363871"	132.101876	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"132015"	132.101876	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"571576"	197.649176	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1043656"	66.554576	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"208640"	88.403676	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"647472"	132.101876	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1168152"	44.705476	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"428142"	280.223023	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"793522"	411.317623	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1689850"	149.128423	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"335942"	140.6151495	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"724356"	206.1624495	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1481094"	75.0678495	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"400866"	285.178418	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"760767"	416.273018	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1604613"	154.083818	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"322187"	143.092847	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"714608"	208.640147	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1469520"	77.545547	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1063857"	52.03279	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1263353"	164.128086	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"383019"	301.152358	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"744018"	432.246958	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1544611"	170.057758	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"303245"	151.079817	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"701134"	216.627117	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1448394"	85.532517	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"239184"	304.223026	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1214078"	173.128426	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1202339"	87.067851	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"189737"	307.16036	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"629665"	438.25496	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1133896"	176.06576	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"174642"	154.083818	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"613838"	219.631118	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1117339"	88.536518	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1402691"	59.360104	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1433346"	178.107346	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"223771"	159.11684	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1510738"	192.15939	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"411514"	162.070788	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"772511"	227.618088	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1667382"	96.523488	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"253175"	326.204968	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1227340"	195.110368	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1713271"	195.133893	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1179311"	66.687418	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1650259"	200.089288	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"158211"	339.10824	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"597898"	470.20284	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1084756"	208.01364	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"142631"	170.057758	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"582675"	235.605058	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1069984"	104.510458	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1101124"	210.028192	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1336053"	210.115807	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1006412"	214.154976	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1524537"	215.148608	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"990091"	107.581126	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1587065"	216.063228	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1414387"	246.094738	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1147402"	128.094401	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1697684"	263.121285	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1643912"	268.07668	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1585032"	284.05062	"C16434"	"Isoleucine"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"814306"	115.0633	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M"	0
"980182"	96.04491	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-H2O-H"	-19.01839
"70615"	75.7015906666667	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M-3H"	-3.021828
"514553"	114.056024	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M-3H"	-3.021828
"890167"	37.3471573333333	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-3H"	-3.021828
"7648"	114.056024	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M-2H"	-2.014552
"446115"	171.587674	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M-2H"	-2.014552
"822823"	56.524374	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-2H"	-2.014552
"85001"	229.119324	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M-H"	-1.007276
"528935"	344.182624	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M-H"	-1.007276
"903458"	114.056024	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-H"	-1.007276
"61963"	246.145871	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M-2H+NH4"	16.019271
"498485"	361.209171	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M-2H+NH4"	16.019271
"877747"	131.082571	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-2H+NH4"	16.019271
"38723"	251.101266	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M-2H+Na"	20.974666
"481564"	366.164566	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M-2H+Na"	20.974666
"859366"	136.037966	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-2H+Na"	20.974666
"1632547"	136.037966	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Na-2H"	20.974666
"105065"	132.044363	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M-H+Cl"	33.962126
"548516"	189.576013	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M-H+Cl"	33.962126
"937411"	74.512713	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-H+Cl"	33.962126
"269408"	265.096002	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+Cl"	34.969402
"664017"	380.159302	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+Cl"	34.969402
"1280795"	150.032702	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Cl"	34.969402
"22258"	267.075206	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M-2H+K"	36.948606
"467287"	382.138506	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M-2H+K"	36.948606
"843999"	152.011906	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-2H+K"	36.948606
"1566391"	152.011906	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+K-2H"	36.948606
"956098"	160.061494	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-H+HCOOH"	44.998194
"375042"	275.124801	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+HCOOH-H"	44.998201
"354187"	289.140451	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+Hac-H"	59.013851
"1505207"	174.077151	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Hac-H"	59.013851
"970561"	182.043451	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-H+NaCOOH"	66.980151
"123113"	150.032702	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+2Cl"	69.938804
"565273"	207.564352	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+2Cl"	69.938804
"1036214"	92.501052	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2Cl"	69.938804
"1250687"	193.982185	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Br"	78.918885
"1309856"	196.038172	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Cl+HCOOH"	80.974872
"1332823"	218.020129	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Cl+NaCOOH"	102.956829
"924619"	228.048886	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M-H+CF3COOH"	112.985586
"1302301"	264.025564	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Cl+CF3COOH"	148.962264
"1382036"	80.050624	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H-2H2O"	-35.012676
"1397231"	98.0606	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H-H2O"	-17.0027
"297400"	231.133876	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+H"	1.007276
"690311"	346.197176	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+H"	1.007276
"1363985"	116.070576	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H"	1.007276
"140516"	116.070576	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+2H"	2.014552
"578977"	173.602226	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+2H"	2.014552
"1048140"	58.538926	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2H"	2.014552
"211668"	77.7161426666667	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+3H"	3.021828
"650138"	116.070576	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+3H"	3.021828
"1170449"	39.3617093333333	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+3H"	3.021828
"435911"	248.160423	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+NH4"	18.033823
"800433"	363.223723	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+NH4"	18.033823
"1695065"	133.097123	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+NH4"	18.033823
"345529"	124.5838495	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+H+NH4"	19.041099
"735036"	182.1154995	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+H+NH4"	19.041099
"1483389"	67.0521995	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H+NH4"	19.041099
"405350"	253.115818	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+Na"	22.989218
"767440"	368.179118	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+Na"	22.989218
"1608978"	138.052518	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Na"	22.989218
"324484"	127.061547	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+H+Na"	23.996494
"716543"	184.593197	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+H+Na"	23.996494
"1469635"	69.529897	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H+Na"	23.996494
"1061782"	46.6890233333333	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2H+Na"	25.00377
"1264558"	148.096786	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+CH3OH+H"	33.033486
"384225"	269.089758	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+K"	38.963158
"746316"	384.153058	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+K"	38.963158
"1547275"	154.026458	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+K"	38.963158
"307730"	135.048517	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+H+K"	39.970434
"696508"	192.580167	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+H+K"	39.970434
"1449235"	77.516867	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H+K"	39.970434
"239660"	272.160426	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+ACN+H"	42.033826
"1220388"	157.097126	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+ACN+H"	42.033826
"1198805"	79.052201	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+ACN+2H"	43.041102
"200790"	275.09776	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+2Na-H"	44.97116
"638162"	390.16106	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+2Na-H"	44.97116
"1136202"	160.03446	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2Na-H"	44.97116
"179857"	138.052518	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+2Na"	45.978436
"619417"	195.584168	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+2Na"	45.978436
"1118180"	80.520868	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2Na"	45.978436
"1400976"	54.0163373333333	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H+2Na"	46.985712
"1433456"	162.076046	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H+HCOOH"	47.012746
"223151"	143.08554	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+3H2O+2H"	56.04448
"1510483"	176.12809	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+IsoProp+H"	61.06479
"409195"	146.039488	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+Na+K"	61.952376
"770801"	203.571138	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+Na+K"	61.952376
"1670780"	88.507838	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Na+K"	61.952376
"255841"	294.142368	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+ACN+Na"	64.015768
"1226487"	179.079068	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+ACN+Na"	64.015768
"1714280"	179.102593	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+NH4+HCOOH"	64.039293
"1179511"	61.3436513333333	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+3Na"	68.967654
"1651593"	184.057988	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Na+HCOOH"	68.994688
"162105"	307.04564	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+2K-H"	76.91904
"598259"	422.10894	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+2K-H"	76.91904
"1084584"	191.98234	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2K-H"	76.91904
"141894"	154.026458	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"2M+2K"	77.926316
"581495"	211.558108	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"3M+2K"	77.926316
"1069002"	96.494808	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2K"	77.926316
"1100875"	193.996892	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2K+H"	78.933592
"1336168"	194.084507	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+DMSO+H"	79.021207
"1006644"	198.123676	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2ACN+H"	83.060376
"1525012"	199.117308	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+IsoProp+Na+H"	84.054008
"990857"	99.565476	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+2ACN+2H"	84.067652
"1587912"	200.031928	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+K+HCOOH"	84.968628
"1416247"	230.063438	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+H+CF3COOH"	115.000138
"1147261"	120.078751	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+3ACN+2H"	125.094202
"1699618"	247.089985	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+NH4+CF3COOH"	132.026685
"1644022"	252.04538	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+Na+CF3COOH"	136.98208
"1578581"	268.01932	"C16435"	"Proline"	"C5H9NO2"	"115.0633"	"M+K+CF3COOH"	152.95602
"816953"	117.079	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M"	0
"987953"	98.06061	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-H2O-H"	-19.01839
"69636"	77.0453906666667	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M-3H"	-3.021828
"509198"	116.071724	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M-3H"	-3.021828
"887001"	38.0190573333333	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-3H"	-3.021828
"5574"	116.071724	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M-2H"	-2.014552
"445134"	174.611224	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M-2H"	-2.014552
"827309"	57.532224	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-2H"	-2.014552
"88392"	233.150724	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M-H"	-1.007276
"524673"	350.229724	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M-H"	-1.007276
"901382"	116.071724	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-H"	-1.007276
"55756"	250.177271	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M-2H+NH4"	16.019271
"499689"	367.256271	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M-2H+NH4"	16.019271
"870933"	133.098271	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-2H+NH4"	16.019271
"39929"	255.132666	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M-2H+Na"	20.974666
"481674"	372.211666	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M-2H+Na"	20.974666
"862758"	138.053666	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-2H+Na"	20.974666
"1632294"	138.053666	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Na-2H"	20.974666
"109924"	134.060063	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M-H+Cl"	33.962126
"539635"	192.599563	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M-H+Cl"	33.962126
"936431"	75.520563	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-H+Cl"	33.962126
"279363"	269.127402	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+Cl"	34.969402
"672878"	386.206402	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+Cl"	34.969402
"1280907"	152.048402	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Cl"	34.969402
"28932"	271.106606	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M-2H+K"	36.948606
"470564"	388.185606	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M-2H+K"	36.948606
"846295"	154.027606	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-2H+K"	36.948606
"1570879"	154.027606	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+K-2H"	36.948606
"958317"	162.077194	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-H+HCOOH"	44.998194
"377068"	279.156201	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+HCOOH-H"	44.998201
"359036"	293.171851	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+Hac-H"	59.013851
"1508117"	176.092851	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Hac-H"	59.013851
"972495"	184.059151	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-H+NaCOOH"	66.980151
"124561"	152.048402	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+2Cl"	69.938804
"564973"	210.587902	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+2Cl"	69.938804
"1033406"	93.508902	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2Cl"	69.938804
"1248611"	195.997885	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Br"	78.918885
"1309968"	198.053872	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Cl+HCOOH"	80.974872
"1331839"	220.035829	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Cl+NaCOOH"	102.956829
"926759"	230.064586	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M-H+CF3COOH"	112.985586
"1303505"	266.041264	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Cl+CF3COOH"	148.962264
"1381546"	82.066324	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H-2H2O"	-35.012676
"1397460"	100.0763	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H-H2O"	-17.0027
"297513"	235.165276	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+H"	1.007276
"691030"	352.244276	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+H"	1.007276
"1365553"	118.086276	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H"	1.007276
"139899"	118.086276	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+2H"	2.014552
"579823"	176.625776	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+2H"	2.014552
"1050442"	59.546776	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2H"	2.014552
"216152"	79.0599426666667	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+3H"	3.021828
"650248"	118.086276	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+3H"	3.021828
"1168372"	40.0336093333333	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+3H"	3.021828
"436750"	252.191823	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+NH4"	18.033823
"801320"	369.270823	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+NH4"	18.033823
"1696633"	135.112823	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+NH4"	18.033823
"343457"	126.5995495	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+H+NH4"	19.041099
"735150"	185.1390495	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+H+NH4"	19.041099
"1488602"	68.0600495	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H+NH4"	19.041099
"406554"	257.147218	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+Na"	22.989218
"768280"	374.226218	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+Na"	22.989218
"1616379"	140.068218	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Na"	22.989218
"328601"	129.077247	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+H+Na"	23.996494
"720298"	187.616747	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+H+Na"	23.996494
"1474118"	70.537747	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H+Na"	23.996494
"1059708"	47.3609233333333	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2H+Na"	25.00377
"1270133"	150.112486	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+CH3OH+H"	33.033486
"386520"	273.121158	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+K"	38.963158
"749707"	390.200158	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+K"	38.963158
"1547749"	156.042158	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+K"	38.963158
"311120"	137.064217	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+H+K"	39.970434
"697348"	195.603717	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+H+K"	39.970434
"1452992"	78.524717	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H+K"	39.970434
"248154"	276.191826	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+ACN+H"	42.033826
"1221957"	159.112826	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+ACN+H"	42.033826
"1203655"	80.060051	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+ACN+2H"	43.041102
"199078"	279.12916	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+2Na-H"	44.97116
"636086"	396.20816	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+2Na-H"	44.97116
"1138135"	162.05016	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2Na-H"	44.97116
"181061"	140.068218	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+2Na"	45.978436
"616976"	198.607718	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+2Na"	45.978436
"1119021"	81.528718	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2Na"	45.978436
"1399992"	54.6882373333333	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H+2Na"	46.985712
"1432472"	164.091746	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H+HCOOH"	47.012746
"222168"	145.10124	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+3H2O+2H"	56.04448
"1514240"	178.14379	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+IsoProp+H"	61.06479
"409916"	148.055188	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+Na+K"	61.952376
"770097"	206.594688	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+Na+K"	61.952376
"1667972"	89.515688	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Na+K"	61.952376
"254858"	298.173768	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+ACN+Na"	64.015768
"1226961"	181.094768	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+ACN+Na"	64.015768
"1716829"	181.118293	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+NH4+HCOOH"	64.039293
"1181454"	62.0155513333333	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+3Na"	68.967654
"1659730"	186.073688	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Na+HCOOH"	68.994688
"167684"	311.07704	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+2K-H"	76.91904
"606150"	428.15604	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+2K-H"	76.91904
"1092850"	193.99804	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2K-H"	76.91904
"149667"	156.042158	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"2M+2K"	77.926316
"582908"	214.581658	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"3M+2K"	77.926316
"1072647"	97.502658	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2K"	77.926316
"1105855"	196.012592	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2K+H"	78.933592
"1343334"	196.100207	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+DMSO+H"	79.021207
"1011864"	200.139376	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2ACN+H"	83.060376
"1532176"	201.133008	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+IsoProp+Na+H"	84.054008
"991213"	100.573326	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+2ACN+2H"	84.067652
"1587416"	202.047628	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+K+HCOOH"	84.968628
"1415628"	232.079138	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+H+CF3COOH"	115.000138
"1147082"	121.086601	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+3ACN+2H"	125.094202
"1701916"	249.105685	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+NH4+CF3COOH"	132.026685
"1641946"	254.06108	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+Na+CF3COOH"	136.98208
"1578691"	270.03502	"C16436"	"Valine"	"C5H11NO2"	"117.079"	"M+K+CF3COOH"	152.95602
"815259"	132.0535	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M"	0
"986968"	113.03511	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"71932"	87.0283906666667	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"509305"	131.046224	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"884921"	43.0105573333333	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"116"	131.046224	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"447429"	197.072974	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"826324"	65.019474	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"80846"	263.099724	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"526967"	395.153224	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"904770"	131.046224	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"52584"	280.126271	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"488862"	412.179771	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"874320"	148.072771	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"34566"	285.081666	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"476679"	417.135166	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"854482"	153.028166	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1626933"	153.028166	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"102369"	149.034563	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"543023"	215.061313	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"928883"	83.007813	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"267563"	299.076402	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"665332"	431.129902	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1279924"	167.022902	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"26854"	301.055606	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"464228"	433.109106	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"838749"	169.002106	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1563330"	169.002106	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"957413"	177.051694	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"377026"	309.105201	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"354406"	323.120851	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1503237"	191.067351	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"971874"	199.033651	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"121873"	167.022902	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"563621"	233.049652	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1030236"	100.996152	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1247628"	210.972385	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1311171"	213.028372	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1330856"	235.010329	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"926303"	245.039086	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1302644"	281.015764	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1381293"	97.040824	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1397208"	115.0508	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"297382"	265.114276	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"690778"	397.167776	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1365299"	133.060776	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"139279"	133.060776	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"579568"	199.087526	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1048361"	67.034026	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"214076"	89.0429426666667	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"650358"	133.060776	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1166660"	45.0251093333333	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"431756"	282.140823	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"800168"	414.194323	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1696137"	150.087323	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"343202"	141.5740495	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"735989"	207.6007995	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1486891"	75.5472995	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"406304"	287.096218	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"767661"	419.149718	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1614667"	155.042718	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"326889"	144.051747	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"720654"	210.078497	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1475322"	78.024997	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1060912"	52.3524233333333	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1268058"	165.086986	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"385538"	303.070158	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"748722"	435.123658	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1548589"	171.016658	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"309044"	152.038717	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"697095"	218.065467	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1454197"	86.011967	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"244985"	306.140826	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1218787"	174.087326	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1204859"	87.547301	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"197729"	309.07816	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"631459"	441.13166	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1138611"	177.02466	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"181900"	155.042718	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"614899"	221.069468	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1119500"	89.015968	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1401561"	59.6797373333333	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1435137"	179.066246	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"223740"	160.07574	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1510704"	193.11829	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"409296"	163.029688	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"770696"	229.056438	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1668811"	97.002938	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"254240"	328.122768	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1228045"	196.069268	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1716575"	196.092793	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1184482"	67.0070513333333	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1651457"	201.048188	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"160142"	341.02604	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"602981"	473.07954	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1092961"	208.97254	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"148685"	171.016658	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"581491"	237.043408	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1070692"	104.989908	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1100741"	210.987092	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1339071"	211.074707	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1014161"	215.113876	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1532286"	216.107508	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"991081"	108.060576	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1587445"	217.022128	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1414886"	247.053638	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1150285"	128.573851	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1700933"	264.080185	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1647524"	269.03558	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1585362"	285.00952	"C16438"	"Asparagine"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"816460"	131.0946	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M"	0
"987078"	112.07621	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"72042"	86.389124	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"508322"	130.087324	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"886124"	42.690924	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"445"	130.087324	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"443164"	195.634624	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"824248"	64.540024	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"83144"	261.181924	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"527077"	392.276524	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"902693"	130.087324	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"53788"	278.208471	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"492254"	409.303071	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"871150"	147.113871	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"39051"	283.163866	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"475695"	414.258466	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"854228"	152.069266	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1628136"	152.069266	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"96283"	148.075663	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"542039"	213.622963	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"931182"	82.528363	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"267791"	297.158602	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"661066"	428.253202	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1276753"	166.064002	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"20403"	299.137806	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"462151"	430.232406	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"838858"	168.043206	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1565627"	168.043206	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"957038"	176.092794	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"375373"	307.187401	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"355609"	321.203051	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1504806"	190.108451	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"969795"	198.074751	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"120890"	166.064002	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"561544"	231.611302	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1030346"	100.516702	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1247738"	210.013485	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1313468"	212.069472	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1332425"	234.051429	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"926288"	244.080186	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1303724"	280.056864	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1381763"	96.081924	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1397196"	114.0919	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"297004"	263.196476	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"689062"	394.291076	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1365045"	132.101876	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"139999"	132.101876	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"579314"	197.649176	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1045191"	66.554576	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"209813"	88.403676	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"650467"	132.101876	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1168954"	44.705476	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"430772"	280.223023	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"796874"	411.317623	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1694667"	149.128423	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"342579"	140.6151495	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"735006"	206.1624495	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1488825"	75.0678495	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"406413"	285.178418	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"766315"	416.273018	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1614778"	154.083818	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"325178"	143.092847	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"719428"	208.640147	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1473975"	77.545547	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1061020"	52.03279	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1267075"	164.128086	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"385648"	301.152358	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"748832"	432.246958	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1547607"	170.057758	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"309154"	151.079817	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"696114"	216.627117	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1449933"	85.532517	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"241816"	304.223026	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1217805"	173.128426	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1203876"	87.067851	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"193831"	307.16036	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"628771"	438.25496	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1135075"	176.06576	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"174354"	154.083818	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"615738"	219.631118	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1118271"	88.536518	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1403135"	59.360104	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1435249"	178.107346	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"223118"	159.11684	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1510448"	192.15939	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"409405"	162.070788	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"770766"	227.618088	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1669651"	96.523488	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"256539"	326.204968	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1229251"	195.110368	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1724705"	195.133893	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1185686"	66.687418	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1652662"	200.089288	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"162439"	339.10824	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"606371"	470.20284	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1091978"	208.01364	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"149889"	170.057758	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"588356"	235.605058	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1073961"	104.510458	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1103890"	210.028192	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1340274"	210.115807	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1015364"	214.154976	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1530209"	215.148608	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"990583"	107.581126	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1588244"	216.063228	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1415361"	246.094738	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1149302"	128.094401	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1704325"	263.121285	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1646541"	268.07668	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1585472"	284.05062	"C16439"	"Leucine"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"814747"	146.1055	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M"	0
"980625"	127.08711	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-H2O-H"	-19.01839
"75432"	96.3963906666667	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M-3H"	-3.021828
"505152"	145.098224	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M-3H"	-3.021828
"886234"	47.6945573333333	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-3H"	-3.021828
"3714"	145.098224	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H"	-2.014552
"444369"	218.150974	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H"	-2.014552
"823264"	72.045474	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-2H"	-2.014552
"83254"	291.203724	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M-H"	-1.007276
"532779"	437.309224	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M-H"	-1.007276
"906083"	145.098224	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-H"	-1.007276
"56085"	308.230271	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H+NH4"	16.019271
"492364"	454.335771	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H+NH4"	16.019271
"871260"	162.124771	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-2H+NH4"	16.019271
"40254"	313.185666	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H+Na"	20.974666
"476536"	459.291166	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H+Na"	20.974666
"857618"	167.080166	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-2H+Na"	20.974666
"1630433"	167.080166	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Na-2H"	20.974666
"96029"	163.086563	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M-H+Cl"	33.962126
"545066"	236.139313	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M-H+Cl"	33.962126
"930199"	90.033813	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-H+Cl"	33.962126
"267413"	327.180402	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+Cl"	34.969402
"662269"	473.285902	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+Cl"	34.969402
"1274676"	181.074902	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl"	34.969402
"18327"	329.159606	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M-2H+K"	36.948606
"464448"	475.265106	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M-2H+K"	36.948606
"838969"	183.054106	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-2H+K"	36.948606
"1563550"	183.054106	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+K-2H"	36.948606
"955081"	191.103694	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-H+HCOOH"	44.998194
"372929"	337.209201	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+HCOOH-H"	44.998201
"355719"	351.224851	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+Hac-H"	59.013851
"1497990"	205.119351	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Hac-H"	59.013851
"966625"	213.085651	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-H+NaCOOH"	66.980151
"123189"	181.074902	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+2Cl"	69.938804
"560560"	254.127652	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+2Cl"	69.938804
"1033736"	108.022152	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2Cl"	69.938804
"1247848"	225.024385	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Br"	78.918885
"1314671"	227.080372	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl+HCOOH"	80.974872
"1334358"	249.062329	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl+NaCOOH"	102.956829
"925784"	259.091086	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M-H+CF3COOH"	112.985586
"1303221"	295.067764	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Cl+CF3COOH"	148.962264
"1382078"	111.092824	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H-2H2O"	-35.012676
"1398277"	129.1028	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H-H2O"	-17.0027
"297840"	293.218276	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+H"	1.007276
"689901"	439.323776	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+H"	1.007276
"1366248"	147.112776	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H"	1.007276
"139134"	147.112776	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+2H"	2.014552
"580031"	220.165526	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+2H"	2.014552
"1048581"	74.060026	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2H"	2.014552
"211017"	98.4109426666667	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+3H"	3.021828
"649484"	147.112776	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+3H"	3.021828
"1171981"	49.7091093333333	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+3H"	3.021828
"430882"	310.244823	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+NH4"	18.033823
"797348"	456.350323	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+NH4"	18.033823
"1693317"	164.139323	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+NH4"	18.033823
"339773"	155.6260495	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+H+NH4"	19.041099
"735116"	228.6787995	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+H+NH4"	19.041099
"1489299"	82.5732995	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H+NH4"	19.041099
"404335"	315.200218	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+Na"	22.989218
"766789"	461.305718	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+Na"	22.989218
"1616346"	169.094718	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Na"	22.989218
"327112"	158.103747	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+H+Na"	23.996494
"721120"	231.156497	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+H+Na"	23.996494
"1474815"	85.050997	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H+Na"	23.996494
"1064778"	57.0364233333333	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2H+Na"	25.00377
"1270830"	179.138986	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+CH3OH+H"	33.033486
"389038"	331.174158	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+K"	38.963158
"748943"	477.279658	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+K"	38.963158
"1552089"	185.068658	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+K"	38.963158
"304893"	166.090717	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+H+K"	39.970434
"695132"	239.143467	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+H+K"	39.970434
"1452231"	93.037967	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H+K"	39.970434
"244111"	334.244826	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+ACN+H"	42.033826
"1215728"	188.139326	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+ACN+H"	42.033826
"1202891"	94.573301	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+ACN+2H"	43.041102
"192484"	337.18216	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+2Na-H"	44.97116
"628923"	483.28766	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+2Na-H"	44.97116
"1132754"	191.07666	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2Na-H"	44.97116
"176656"	169.094718	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+2Na"	45.978436
"619496"	242.147468	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+2Na"	45.978436
"1119721"	96.041968	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2Na"	45.978436
"1403245"	64.3637373333333	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H+2Na"	46.985712
"1432070"	193.118246	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H+HCOOH"	47.012746
"222866"	174.12774	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+3H2O+2H"	56.04448
"1509464"	207.17029	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+IsoProp+H"	61.06479
"409027"	177.081688	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+Na+K"	61.952376
"770878"	250.134438	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+Na+K"	61.952376
"1667575"	104.028938	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Na+K"	61.952376
"255917"	356.226768	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+ACN+Na"	64.015768
"1228269"	210.121268	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+ACN+Na"	64.015768
"1725545"	210.144793	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+NH4+HCOOH"	64.039293
"1187982"	71.6910513333333	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+3Na"	68.967654
"1652408"	215.100188	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Na+HCOOH"	68.994688
"162549"	369.13004	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+2K-H"	76.91904
"599921"	515.23554	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+2K-H"	76.91904
"1089902"	223.02454	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2K-H"	76.91904
"151092"	185.068658	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"2M+2K"	77.926316
"587373"	258.121408	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"3M+2K"	77.926316
"1078445"	112.015908	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2K"	77.926316
"1102907"	225.039092	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2K+H"	78.933592
"1341478"	225.126707	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+DMSO+H"	79.021207
"1014381"	229.165876	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2ACN+H"	83.060376
"1530319"	230.159508	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+IsoProp+Na+H"	84.054008
"992394"	115.086576	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+2ACN+2H"	84.067652
"1589083"	231.074128	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+K+HCOOH"	84.968628
"1415109"	261.105638	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+H+CF3COOH"	115.000138
"1150505"	135.599851	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+3ACN+2H"	125.094202
"1700059"	278.132185	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+NH4+CF3COOH"	132.026685
"1640089"	283.08758	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+Na+CF3COOH"	136.98208
"1585582"	299.06152	"C16440"	"Lysine"	"C6H14N2O2"	"146.1055"	"M+K+CF3COOH"	152.95602
"816195"	431.1206	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M"	0
"984015"	412.10221	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H2O-H"	-19.01839
"77729"	286.406457333333	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-3H"	-3.021828
"511823"	430.113324	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-3H"	-3.021828
"889625"	142.699590666667	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-3H"	-3.021828
"7106"	430.113324	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H"	-2.014552
"443388"	645.673624	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H"	-2.014552
"825563"	214.553024	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H"	-2.014552
"91870"	861.233924	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-H"	-1.007276
"533374"	1292.354524	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-H"	-1.007276
"910569"	430.113324	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H"	-1.007276
"61786"	878.260471	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H+NH4"	16.019271
"501346"	1309.381071	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H+NH4"	16.019271
"879596"	447.139871	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H+NH4"	16.019271
"46320"	883.215866	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H+Na"	20.974666
"482478"	1314.336466	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H+Na"	20.974666
"858822"	452.095266	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H+Na"	20.974666
"1631636"	452.095266	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na-2H"	20.974666
"98326"	448.101663	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-H+Cl"	33.962126
"548336"	663.661963	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-H+Cl"	33.962126
"930309"	232.541363	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+Cl"	33.962126
"269228"	897.210602	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Cl"	34.969402
"661651"	1328.331202	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+Cl"	34.969402
"1283534"	466.090002	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl"	34.969402
"23904"	899.189806	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M-2H+K"	36.948606
"467838"	1330.310406	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M-2H+K"	36.948606
"845639"	468.069206	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-2H+K"	36.948606
"1568763"	468.069206	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K-2H"	36.948606
"956650"	476.118794	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+HCOOH"	44.998194
"374498"	907.239401	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+HCOOH-H"	44.998201
"359109"	921.255051	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Hac-H"	59.013851
"1502473"	490.134451	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Hac-H"	59.013851
"970745"	498.100751	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+NaCOOH"	66.980151
"123663"	466.090002	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2Cl"	69.938804
"559577"	681.650302	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2Cl"	69.938804
"1033846"	250.529702	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2Cl"	69.938804
"1251238"	510.039485	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Br"	78.918885
"1315874"	512.095472	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl+HCOOH"	80.974872
"1335076"	534.077429	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl+NaCOOH"	102.956829
"926913"	544.106186	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M-H+CF3COOH"	112.985586
"1303947"	580.082864	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Cl+CF3COOH"	148.962264
"1382633"	396.107924	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H-2H2O"	-35.012676
"1397899"	414.1179	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H-H2O"	-17.0027
"297951"	863.248476	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H"	1.007276
"690860"	1294.369076	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H"	1.007276
"1366864"	432.127876	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H"	1.007276
"138880"	432.127876	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2H"	2.014552
"579533"	647.688176	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2H"	2.014552
"1048691"	216.567576	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2H"	2.014552
"211127"	288.421009333333	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+3H"	3.021828
"652873"	432.127876	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+3H"	3.021828
"1172089"	144.714142666667	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+3H"	3.021828
"430992"	880.275023	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+NH4"	18.033823
"794177"	1311.395623	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+NH4"	18.033823
"1695979"	449.154423	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+NH4"	18.033823
"342071"	440.6411495	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H+NH4"	19.041099
"735954"	656.2014495	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H+NH4"	19.041099
"1491234"	225.0808495	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+NH4"	19.041099
"406994"	885.230418	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Na"	22.989218
"767625"	1316.351018	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+Na"	22.989218
"1616088"	454.109818	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na"	22.989218
"323937"	443.118847	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H+Na"	23.996494
"714170"	658.679147	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H+Na"	23.996494
"1471272"	227.558547	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+Na"	23.996494
"1067075"	152.041456666667	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2H+Na"	25.00377
"1269844"	464.154086	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+CH3OH+H"	33.033486
"386598"	901.204358	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+K"	38.963158
"751235"	1332.324958	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+K"	38.963158
"1548918"	470.083758	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K"	38.963158
"309376"	451.105817	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+H+K"	39.970434
"699608"	666.666117	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+H+K"	39.970434
"1454524"	235.545517	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+K"	39.970434
"247501"	904.275026	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+ACN+H"	42.033826
"1220210"	473.154426	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+ACN+H"	42.033826
"1205186"	237.080851	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+ACN+2H"	43.041102
"200975"	907.21236	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2Na-H"	44.97116
"632517"	1338.33296	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2Na-H"	44.97116
"1137848"	476.09176	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2Na-H"	44.97116
"178952"	454.109818	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2Na"	45.978436
"625073"	669.670118	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2Na"	45.978436
"1123111"	238.549518	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2Na"	45.978436
"1405542"	159.368770666667	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+2Na"	46.985712
"1432551"	478.133346	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+HCOOH"	47.012746
"222978"	459.14284	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+3H2O+2H"	56.04448
"1510062"	492.18539	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+IsoProp+H"	61.06479
"409624"	462.096788	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+Na+K"	61.952376
"773904"	677.657088	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+Na+K"	61.952376
"1669142"	246.536488	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na+K"	61.952376
"254570"	926.256968	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+ACN+Na"	64.015768
"1229472"	495.136368	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+ACN+Na"	64.015768
"1726748"	495.159893	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+NH4+HCOOH"	64.039293
"1194048"	166.696084666667	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+3Na"	68.967654
"1657985"	500.115288	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na+HCOOH"	68.994688
"165940"	939.16024	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2K-H"	76.91904
"601124"	1370.28084	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2K-H"	76.91904
"1093292"	508.03964	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2K-H"	76.91904
"147922"	470.083758	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"2M+2K"	77.926316
"589670"	685.644058	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"3M+2K"	77.926316
"1079649"	254.523458	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2K"	77.926316
"1107392"	510.054192	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2K+H"	78.933592
"1344869"	510.141807	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+DMSO+H"	79.021207
"1014491"	514.180976	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2ACN+H"	83.060376
"1533709"	515.174608	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+IsoProp+Na+H"	84.054008
"993597"	257.594126	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+2ACN+2H"	84.067652
"1591382"	516.089228	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K+HCOOH"	84.968628
"1415584"	546.120738	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+H+CF3COOH"	115.000138
"1149522"	278.107401	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+3ACN+2H"	125.094202
"1699076"	563.147285	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+NH4+CF3COOH"	132.026685
"1639106"	568.10268	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+Na+CF3COOH"	136.98208
"1585692"	584.07662	"C16441"	"cis-Zeatin riboside monophosphate"	"C15H22N5O8P"	"431.1206"	"M+K+CF3COOH"	152.95602
"816629"	381.1648	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M"	0
"987406"	362.14641	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-H2O-H"	-19.01839
"72369"	253.102590666667	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M-3H"	-3.021828
"514117"	380.157524	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M-3H"	-3.021828
"887546"	126.047657333333	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-3H"	-3.021828
"8308"	380.157524	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H"	-2.014552
"453335"	570.739924	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H"	-2.014552
"831138"	189.575124	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H"	-2.014552
"82383"	761.322324	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M-H"	-1.007276
"532513"	1142.487124	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M-H"	-1.007276
"904119"	380.157524	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-H"	-1.007276
"59587"	778.348871	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+NH4"	16.019271
"500240"	1159.513671	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+NH4"	16.019271
"877679"	397.184071	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+NH4"	16.019271
"44485"	783.304266	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+Na"	20.974666
"486480"	1164.469066	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+Na"	20.974666
"864153"	402.139466	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+Na"	20.974666
"1632114"	402.139466	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na-2H"	20.974666
"107183"	398.145863	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M-H+Cl"	33.962126
"549941"	588.728263	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M-H+Cl"	33.962126
"932607"	207.563463	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+Cl"	33.962126
"269704"	797.299002	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Cl"	34.969402
"664677"	1178.463802	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Cl"	34.969402
"1285467"	416.134202	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl"	34.969402
"30211"	799.278206	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M-2H+K"	36.948606
"471181"	1180.443006	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M-2H+K"	36.948606
"848142"	418.113406	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-2H+K"	36.948606
"1568873"	418.113406	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+K-2H"	36.948606
"956760"	426.162994	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+HCOOH"	44.998194
"376066"	807.327801	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+HCOOH-H"	44.998201
"358125"	821.343451	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Hac-H"	59.013851
"1506958"	440.178651	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Hac-H"	59.013851
"973409"	448.144951	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+NaCOOH"	66.980151
"124500"	416.134202	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Cl"	69.938804
"556405"	606.716602	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Cl"	69.938804
"1033956"	225.551802	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Cl"	69.938804
"1254628"	460.083685	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Br"	78.918885
"1314891"	462.139672	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+HCOOH"	80.974872
"1334943"	484.121629	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+NaCOOH"	102.956829
"926980"	494.150386	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M-H+CF3COOH"	112.985586
"1303207"	530.127064	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Cl+CF3COOH"	148.962264
"1382459"	346.152124	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H-2H2O"	-35.012676
"1397646"	364.1621	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H-H2O"	-17.0027
"297696"	763.336876	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H"	1.007276
"689020"	1144.501676	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H"	1.007276
"1365002"	382.172076	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H"	1.007276
"139352"	382.172076	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2H"	2.014552
"578912"	572.754476	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2H"	2.014552
"1048802"	191.589676	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2H"	2.014552
"219138"	255.117142666667	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+3H"	3.021828
"657358"	382.172076	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+3H"	3.021828
"1171108"	128.062209333333	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+3H"	3.021828
"437300"	780.363423	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+NH4"	18.033823
"800726"	1161.528223	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+NH4"	18.033823
"1695727"	399.198623	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4"	18.033823
"344007"	390.6853495	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+NH4"	19.041099
"737883"	581.2677495	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+NH4"	19.041099
"1487331"	200.1029495	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+NH4"	19.041099
"403824"	785.318818	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Na"	22.989218
"765911"	1166.483618	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Na"	22.989218
"1610729"	404.154018	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na"	22.989218
"325144"	393.163047	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+Na"	23.996494
"721943"	583.745447	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+Na"	23.996494
"1476249"	202.580647	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+Na"	23.996494
"1063539"	135.389523333333	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2H+Na"	25.00377
"1267405"	414.198286	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+CH3OH+H"	33.033486
"385976"	801.292758	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+K"	38.963158
"748067"	1182.457558	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+K"	38.963158
"1550124"	420.127958	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+K"	38.963158
"309484"	401.150017	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+H+K"	39.970434
"701908"	591.732417	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+H+K"	39.970434
"1455730"	210.567617	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+K"	39.970434
"250770"	804.363426	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+ACN+H"	42.033826
"1219228"	423.198626	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+H"	42.033826
"1208579"	212.102951	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+2H"	43.041102
"203517"	807.30076	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Na-H"	44.97116
"637731"	1188.46556	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Na-H"	44.97116
"1142330"	426.13596	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Na-H"	44.97116
"182342"	404.154018	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2Na"	45.978436
"620811"	594.736418	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2Na"	45.978436
"1126503"	213.571618	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2Na"	45.978436
"1404551"	142.716837333333	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+2Na"	46.985712
"1435207"	428.177546	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+HCOOH"	47.012746
"224540"	409.18704	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+3H2O+2H"	56.04448
"1511147"	442.22959	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+IsoProp+H"	61.06479
"410830"	412.140988	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+Na+K"	61.952376
"772922"	602.723388	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+Na+K"	61.952376
"1668527"	221.558588	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+K"	61.952376
"252619"	826.345368	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+ACN+Na"	64.015768
"1237241"	445.180568	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+ACN+Na"	64.015768
"1727224"	445.204093	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4+HCOOH"	64.039293
"1192577"	150.044151333333	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+3Na"	68.967654
"1665306"	450.159488	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+HCOOH"	68.994688
"168235"	839.24864	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2K-H"	76.91904
"604514"	1220.41344	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2K-H"	76.91904
"1088299"	458.08384	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K-H"	76.91904
"145846"	420.127958	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"2M+2K"	77.926316
"590874"	610.710358	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"3M+2K"	77.926316
"1074293"	229.545558	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K"	77.926316
"1107503"	460.098392	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2K+H"	78.933592
"1343885"	460.186007	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+DMSO+H"	79.021207
"1016789"	464.225176	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2ACN+H"	83.060376
"1528354"	465.218808	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+IsoProp+Na+H"	84.054008
"996989"	232.616226	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+2ACN+2H"	84.067652
"1592587"	466.133428	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+K+HCOOH"	84.968628
"1420440"	496.164938	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+H+CF3COOH"	115.000138
"1157292"	253.129501	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+3ACN+2H"	125.094202
"1706843"	513.191485	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+NH4+CF3COOH"	132.026685
"1641403"	518.14688	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+Na+CF3COOH"	136.98208
"1579241"	534.12082	"C16443"	"trans-Zeatin-7-beta-D-glucoside"	"C16H23N5O6"	"381.1648"	"M+K+CF3COOH"	152.95602
"816053"	184.1	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M"	0
"988613"	165.08161	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-H2O-H"	-19.01839
"77584"	121.726057333333	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M-3H"	-3.021828
"517509"	183.092724	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M-3H"	-3.021828
"890939"	60.3593906666667	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-3H"	-3.021828
"5140"	183.092724	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M-2H"	-2.014552
"443971"	275.142724	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M-2H"	-2.014552
"823596"	91.042724	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-2H"	-2.014552
"85773"	367.192724	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M-H"	-1.007276
"532623"	551.292724	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M-H"	-1.007276
"908241"	183.092724	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-H"	-1.007276
"53139"	384.219271	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M-2H+NH4"	16.019271
"497073"	568.319271	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M-2H+NH4"	16.019271
"874873"	200.119271	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-2H+NH4"	16.019271
"44599"	389.174666	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M-2H+Na"	20.974666
"485253"	573.274666	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M-2H+Na"	20.974666
"864032"	205.074666	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-2H+Na"	20.974666
"1626393"	205.074666	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Na-2H"	20.974666
"101828"	201.081063	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M-H+Cl"	33.962126
"549906"	293.131063	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M-H+Cl"	33.962126
"930893"	109.031063	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-H+Cl"	33.962126
"274554"	403.169402	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+Cl"	34.969402
"672444"	587.269402	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+Cl"	34.969402
"1286672"	219.069402	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Cl"	34.969402
"28502"	405.148606	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M-2H+K"	36.948606
"469154"	589.248606	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M-2H+K"	36.948606
"846227"	221.048606	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-2H+K"	36.948606
"1568987"	221.048606	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+K-2H"	36.948606
"954319"	229.098194	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-H+HCOOH"	44.998194
"372532"	413.198201	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+HCOOH-H"	44.998201
"360063"	427.213851	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+Hac-H"	59.013851
"1508089"	243.113851	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Hac-H"	59.013851
"973928"	251.080151	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-H+NaCOOH"	66.980151
"125343"	219.069402	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+2Cl"	69.938804
"557610"	311.119402	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+2Cl"	69.938804
"1036254"	127.019402	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2Cl"	69.938804
"1255834"	263.018885	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Br"	78.918885
"1317922"	265.074872	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Cl+HCOOH"	80.974872
"1335467"	287.056829	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Cl+NaCOOH"	102.956829
"926850"	297.085586	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M-H+CF3COOH"	112.985586
"1303967"	333.062264	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Cl+CF3COOH"	148.962264
"1382082"	149.087324	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H-2H2O"	-35.012676
"1397027"	167.0973	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H-H2O"	-17.0027
"296712"	369.207276	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+H"	1.007276
"690836"	553.307276	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+H"	1.007276
"1365481"	185.107276	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H"	1.007276
"138734"	185.107276	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+2H"	2.014552
"577200"	277.157276	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+2H"	2.014552
"1050373"	93.057276	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2H"	2.014552
"216815"	123.740609333333	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+3H"	3.021828
"652002"	185.107276	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+3H"	3.021828
"1175596"	62.3739426666667	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+3H"	3.021828
"437414"	386.233823	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+NH4"	18.033823
"798046"	570.333823	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+NH4"	18.033823
"1691827"	202.133823	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+NH4"	18.033823
"342659"	193.6205495	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+H+NH4"	19.041099
"733621"	285.6705495	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+H+NH4"	19.041099
"1488535"	101.5705495	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H+NH4"	19.041099
"406121"	391.189218	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+Na"	22.989218
"764931"	575.289218	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+Na"	22.989218
"1610839"	207.089218	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Na"	22.989218
"319783"	196.098247	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+H+Na"	23.996494
"714393"	288.148247	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+H+Na"	23.996494
"1468212"	104.048247	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H+Na"	23.996494
"1064743"	69.7012566666667	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2H+Na"	25.00377
"1267515"	217.133486	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+CH3OH+H"	33.033486
"386087"	407.163158	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+K"	38.963158
"749270"	591.263158	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+K"	38.963158
"1549137"	223.063158	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+K"	38.963158
"310688"	204.085217	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+H+K"	39.970434
"703110"	296.135217	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+H+K"	39.970434
"1459849"	112.035217	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H+K"	39.970434
"246625"	410.233826	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+ACN+H"	42.033826
"1222615"	226.133826	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+ACN+H"	42.033826
"1208204"	113.570551	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+ACN+2H"	43.041102
"202655"	413.17116	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+2Na-H"	44.97116
"641850"	597.27116	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+2Na-H"	44.97116
"1144625"	229.07116	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2Na-H"	44.97116
"182450"	207.089218	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+2Na"	45.978436
"620917"	299.139218	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+2Na"	45.978436
"1123328"	115.039218	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2Na"	45.978436
"1404661"	77.0285706666667	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H+2Na"	46.985712
"1433131"	231.112746	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H+HCOOH"	47.012746
"221730"	212.12224	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+3H2O+2H"	56.04448
"1510893"	245.16479	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+IsoProp+H"	61.06479
"409118"	215.076188	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+Na+K"	61.952376
"771331"	307.126188	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+Na+K"	61.952376
"1667180"	123.026188	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Na+K"	61.952376
"252608"	432.215768	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+ACN+Na"	64.015768
"1240271"	248.115768	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+ACN+Na"	64.015768
"1719679"	248.139293	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+NH4+HCOOH"	64.039293
"1187220"	84.3558846666667	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+3Na"	68.967654
"1660393"	253.094688	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Na+HCOOH"	68.994688
"168347"	445.11904	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+2K-H"	76.91904
"606814"	629.21904	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+2K-H"	76.91904
"1090233"	261.01904	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2K-H"	76.91904
"148143"	223.063158	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"2M+2K"	77.926316
"589890"	315.113158	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"3M+2K"	77.926316
"1077684"	131.013158	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2K"	77.926316
"1110893"	263.033592	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2K+H"	78.933592
"1340716"	263.121207	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+DMSO+H"	79.021207
"1013618"	267.160376	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2ACN+H"	83.060376
"1530652"	268.154008	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+IsoProp+Na+H"	84.054008
"994912"	134.083826	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+2ACN+2H"	84.067652
"1590510"	269.068628	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+K+HCOOH"	84.968628
"1420551"	299.100138	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+H+CF3COOH"	115.000138
"1157403"	154.597101	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+3ACN+2H"	125.094202
"1711328"	316.126685	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+NH4+CF3COOH"	132.026685
"1648074"	321.08208	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+Na+CF3COOH"	136.98208
"1582631"	337.05602	"C16444"	"Benzidine"	"C12H12N2"	"184.1"	"M+K+CF3COOH"	152.95602
"811907"	433.1362	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M"	0
"986536"	414.11781	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-H2O-H"	-19.01839
"75873"	287.750190666667	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M-3H"	-3.021828
"516524"	432.128924	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M-3H"	-3.021828
"886675"	143.371457333333	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-3H"	-3.021828
"8530"	432.128924	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M-2H"	-2.014552
"440229"	648.697024	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M-2H"	-2.014552
"823705"	215.560824	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-2H"	-2.014552
"82604"	865.265124	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M-H"	-1.007276
"521071"	1298.401324	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M-H"	-1.007276
"904340"	432.128924	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-H"	-1.007276
"56529"	882.291671	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M-2H+NH4"	16.019271
"500100"	1315.427871	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M-2H+NH4"	16.019271
"877900"	449.155471	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-2H+NH4"	16.019271
"43981"	887.247066	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M-2H+Na"	20.974666
"486336"	1320.383266	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M-2H+Na"	20.974666
"862438"	454.110866	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-2H+Na"	20.974666
"1625410"	454.110866	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Na-2H"	20.974666
"108377"	450.117263	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M-H+Cl"	33.962126
"549807"	666.685363	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M-H+Cl"	33.962126
"931733"	233.549163	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-H+Cl"	33.962126
"271384"	901.241802	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+Cl"	34.969402
"673648"	1334.378002	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+Cl"	34.969402
"1283866"	468.105602	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Cl"	34.969402
"27518"	903.221006	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M-2H+K"	36.948606
"465984"	1336.357206	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M-2H+K"	36.948606
"846337"	470.084806	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-2H+K"	36.948606
"1568732"	470.084806	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+K-2H"	36.948606
"951876"	478.134394	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-H+HCOOH"	44.998194
"372642"	911.270601	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+HCOOH-H"	44.998201
"357981"	925.286251	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+Hac-H"	59.013851
"1506088"	492.150051	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Hac-H"	59.013851
"971441"	500.116351	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-H+NaCOOH"	66.980151
"119253"	468.105602	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+2Cl"	69.938804
"557720"	684.673702	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+2Cl"	69.938804
"1033813"	251.537502	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2Cl"	69.938804
"1255944"	512.055085	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Br"	78.918885
"1317299"	514.111072	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Cl+HCOOH"	80.974872
"1335602"	536.093029	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Cl+NaCOOH"	102.956829
"927023"	546.121786	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M-H+CF3COOH"	112.985586
"1303953"	582.098464	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Cl+CF3COOH"	148.962264
"1382587"	398.123524	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H-2H2O"	-35.012676
"1398261"	416.1335	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H-H2O"	-17.0027
"297187"	867.279676	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+H"	1.007276
"690826"	1300.415876	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+H"	1.007276
"1365591"	434.143476	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H"	1.007276
"139208"	434.143476	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+2H"	2.014552
"578039"	650.711576	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+2H"	2.014552
"1049390"	217.575376	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2H"	2.014552
"218992"	289.764742666667	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+3H"	3.021828
"654299"	434.143476	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+3H"	3.021828
"1175706"	145.386009333333	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+3H"	3.021828
"436430"	884.306223	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+NH4"	18.033823
"798156"	1317.442423	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+NH4"	18.033823
"1693393"	451.170023	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+NH4"	18.033823
"342404"	442.6567495	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+H+NH4"	19.041099
"733731"	659.2248495	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+H+NH4"	19.041099
"1488645"	226.0886495	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H+NH4"	19.041099
"402949"	889.261618	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+Na"	22.989218
"763944"	1322.397818	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+Na"	22.989218
"1612043"	456.125418	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Na"	22.989218
"316613"	445.134447	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+H+Na"	23.996494
"713410"	661.702547	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+H+Na"	23.996494
"1465406"	228.566347	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H+Na"	23.996494
"1065945"	152.713323333333	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2H+Na"	25.00377
"1268718"	466.169686	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+CH3OH+H"	33.033486
"386198"	905.235558	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+K"	38.963158
"748287"	1338.371758	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+K"	38.963158
"1547061"	472.099358	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+K"	38.963158
"308612"	453.121417	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+H+K"	39.970434
"701033"	669.689517	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+H+K"	39.970434
"1458137"	236.553317	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H+K"	39.970434
"244550"	908.306226	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+ACN+H"	42.033826
"1219446"	475.170026	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+ACN+H"	42.033826
"1207340"	238.088651	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+ACN+2H"	43.041102
"200579"	911.24356	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+2Na-H"	44.97116
"641231"	1344.37976	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+2Na-H"	44.97116
"1143642"	478.10736	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2Na-H"	44.97116
"183291"	456.125418	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+2Na"	45.978436
"622120"	672.693518	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+2Na"	45.978436
"1119064"	239.557318	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2Na"	45.978436
"1400030"	160.040637333333	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H+2Na"	46.985712
"1433240"	480.148946	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H+HCOOH"	47.012746
"221475"	461.15844	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+3H2O+2H"	56.04448
"1509176"	494.20099	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+IsoProp+H"	61.06479
"408739"	464.112388	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+Na+K"	61.952376
"770590"	680.680488	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+Na+K"	61.952376
"1666924"	247.544288	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Na+K"	61.952376
"251746"	930.288168	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+ACN+Na"	64.015768
"1241032"	497.151968	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+ACN+Na"	64.015768
"1717603"	497.175493	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+NH4+HCOOH"	64.039293
"1192798"	167.367951333333	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+3Na"	68.967654
"1659409"	502.130888	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Na+HCOOH"	68.994688
"171737"	943.19144	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+2K-H"	76.91904
"609110"	1376.32764	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+2K-H"	76.91904
"1089250"	510.05524	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2K-H"	76.91904
"148253"	472.099358	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"2M+2K"	77.926316
"591093"	688.667458	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"3M+2K"	77.926316
"1076700"	255.531258	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2K"	77.926316
"1109909"	512.069792	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2K+H"	78.933592
"1343013"	512.157407	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+DMSO+H"	79.021207
"1013728"	516.196576	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2ACN+H"	83.060376
"1527481"	517.190208	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+IsoProp+Na+H"	84.054008
"993199"	258.601926	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+2ACN+2H"	84.067652
"1591712"	518.104828	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+K+HCOOH"	84.968628
"1419568"	548.136338	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+H+CF3COOH"	115.000138
"1156420"	279.115201	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+3ACN+2H"	125.094202
"1708158"	565.162885	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+NH4+CF3COOH"	132.026685
"1645999"	570.11828	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+Na+CF3COOH"	136.98208
"1582741"	586.09222	"C16445"	"Dihydrozeatin riboside monophosphate"	"C15H24N5O8P"	"433.1362"	"M+K+CF3COOH"	152.95602
"814204"	267.0582	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M"	0
"981175"	248.03981	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-H2O-H"	-19.01839
"73794"	177.031524	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M-3H"	-3.021828
"513355"	266.050924	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M-3H"	-3.021828
"885692"	88.012124	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-3H"	-3.021828
"11918"	266.050924	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M-2H"	-2.014552
"446014"	399.580024	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M-2H"	-2.014552
"827095"	132.521824	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-2H"	-2.014552
"82715"	533.109124	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M-H"	-1.007276
"521181"	800.167324	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M-H"	-1.007276
"907730"	266.050924	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-H"	-1.007276
"56639"	550.135671	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M-2H+NH4"	16.019271
"501547"	817.193871	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M-2H+NH4"	16.019271
"875094"	283.077471	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-2H+NH4"	16.019271
"42998"	555.091066	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M-2H+Na"	20.974666
"485839"	822.149266	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M-2H+Na"	20.974666
"862548"	288.032866	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-2H+Na"	20.974666
"1623333"	288.032866	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Na-2H"	20.974666
"108487"	284.039263	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M-H+Cl"	33.962126
"549141"	417.568363	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M-H+Cl"	33.962126
"932937"	150.510163	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-H+Cl"	33.962126
"271493"	569.085802	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+Cl"	34.969402
"669384"	836.144002	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+Cl"	34.969402
"1283976"	302.027602	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Cl"	34.969402
"26535"	571.065006	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M-2H+K"	36.948606
"466094"	838.123206	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M-2H+K"	36.948606
"844990"	304.006806	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-2H+K"	36.948606
"1568478"	304.006806	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+K-2H"	36.948606
"952715"	312.056394	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-H+HCOOH"	44.998194
"372752"	579.114601	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+HCOOH-H"	44.998201
"357727"	593.130251	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+Hac-H"	59.013851
"1505469"	326.072051	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Hac-H"	59.013851
"970822"	334.038351	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-H+NaCOOH"	66.980151
"119363"	302.027602	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+2Cl"	69.938804
"556737"	435.556702	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+2Cl"	69.938804
"1034287"	168.498502	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2Cl"	69.938804
"1254961"	345.977085	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Br"	78.918885
"1316316"	348.033072	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Cl+HCOOH"	80.974872
"1335282"	370.015029	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Cl+NaCOOH"	102.956829
"926461"	380.043786	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M-H+CF3COOH"	112.985586
"1304137"	416.020464	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Cl+CF3COOH"	148.962264
"1382510"	232.045524	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H-2H2O"	-35.012676
"1397736"	250.0555	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H-H2O"	-17.0027
"296568"	535.123676	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+H"	1.007276
"690692"	802.181876	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+H"	1.007276
"1365335"	268.065476	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H"	1.007276
"140410"	268.065476	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+2H"	2.014552
"579244"	401.594576	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+2H"	2.014552
"1050960"	134.536376	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2H"	2.014552
"218860"	179.046076	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+3H"	3.021828
"654409"	268.065476	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+3H"	3.021828
"1170348"	90.026676	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+3H"	3.021828
"436902"	552.150223	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+NH4"	18.033823
"797902"	819.208423	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+NH4"	18.033823
"1693136"	285.092023	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+NH4"	18.033823
"340324"	276.5787495	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+H+NH4"	19.041099
"733838"	410.1078495	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+H+NH4"	19.041099
"1487659"	143.0496495	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H+NH4"	19.041099
"401964"	557.105618	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+Na"	22.989218
"757493"	824.163818	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+Na"	22.989218
"1611059"	290.047418	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Na"	22.989218
"316723"	279.056447	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+H+Na"	23.996494
"708415"	412.585547	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+H+Na"	23.996494
"1464058"	145.527347	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H+Na"	23.996494
"1057306"	97.35399	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2H+Na"	25.00377
"1265548"	300.091686	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+CH3OH+H"	33.033486
"384121"	573.079558	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+K"	38.963158
"746211"	840.137758	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+K"	38.963158
"1543891"	306.021358	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+K"	38.963158
"303619"	287.043417	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+H+K"	39.970434
"702237"	420.572517	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+H+K"	39.970434
"1452778"	153.514317	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H+K"	39.970434
"244660"	576.150226	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+ACN+H"	42.033826
"1219556"	309.092026	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+ACN+H"	42.033826
"1204534"	155.049651	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+ACN+2H"	43.041102
"198502"	579.08756	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+2Na-H"	44.97116
"638060"	846.14576	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+2Na-H"	44.97116
"1142658"	312.02936	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2Na-H"	44.97116
"182308"	290.047418	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+2Na"	45.978436
"622959"	423.576518	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+2Na"	45.978436
"1119171"	156.518318	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2Na"	45.978436
"1400866"	104.681304	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H+2Na"	46.985712
"1433349"	314.070946	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H+HCOOH"	47.012746
"222677"	295.08044	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+3H2O+2H"	56.04448
"1510378"	328.12299	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+IsoProp+H"	61.06479
"409699"	298.034388	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+Na+K"	61.952376
"770045"	431.563488	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+Na+K"	61.952376
"1666257"	164.505288	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Na+K"	61.952376
"252463"	598.132168	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+ACN+Na"	64.015768
"1240855"	331.073968	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+ACN+Na"	64.015768
"1720993"	331.097493	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+NH4+HCOOH"	64.039293
"1190721"	112.008618	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+3Na"	68.967654
"1665492"	336.052888	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Na+HCOOH"	68.994688
"169660"	611.03544	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+2K-H"	76.91904
"607033"	878.09364	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+2K-H"	76.91904
"1093733"	343.97724	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2K-H"	76.91904
"146540"	306.021358	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"2M+2K"	77.926316
"587923"	439.550458	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"3M+2K"	77.926316
"1072435"	172.492258	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2K"	77.926316
"1106738"	345.991792	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2K+H"	78.933592
"1339842"	346.079407	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+DMSO+H"	79.021207
"1008370"	350.118576	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2ACN+H"	83.060376
"1525769"	351.112208	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+IsoProp+Na+H"	84.054008
"991244"	175.562926	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+2ACN+2H"	84.067652
"1587935"	352.026828	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+K+HCOOH"	84.968628
"1419678"	382.058338	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+H+CF3COOH"	115.000138
"1156530"	196.076201	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+3ACN+2H"	125.094202
"1708268"	399.084885	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+NH4+CF3COOH"	132.026685
"1646109"	404.04028	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+Na+CF3COOH"	136.98208
"1582851"	420.01422	"C16446"	"Chlornaphazine;NN-Bis(2-chloroethyl)-2-naphthylamine"	"C14H15Cl2N"	"267.0582"	"M+K+CF3COOH"	152.95602
"813951"	353.1699	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M"	0
"981285"	334.15151	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-H2O-H"	-19.01839
"74997"	234.439324	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M-3H"	-3.021828
"512369"	352.162624	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M-3H"	-3.021828
"884708"	116.716024	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-3H"	-3.021828
"12028"	352.162624	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M-2H"	-2.014552
"442845"	528.747574	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M-2H"	-2.014552
"826113"	175.577674	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-2H"	-2.014552
"86105"	705.332524	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M-H"	-1.007276
"524571"	1058.502424	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M-H"	-1.007276
"906747"	352.162624	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-H"	-1.007276
"56749"	722.359071	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M-2H+NH4"	16.019271
"499470"	1075.528971	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M-2H+NH4"	16.019271
"875204"	369.189171	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-2H+NH4"	16.019271
"43109"	727.314466	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M-2H+Na"	20.974666
"483763"	1080.484366	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M-2H+Na"	20.974666
"862658"	374.144566	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-2H+Na"	20.974666
"1623443"	374.144566	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Na-2H"	20.974666
"103252"	370.150963	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M-H+Cl"	33.962126
"543905"	546.735913	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M-H+Cl"	33.962126
"934139"	193.566013	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-H+Cl"	33.962126
"270510"	741.309202	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+Cl"	34.969402
"668401"	1094.479102	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+Cl"	34.969402
"1285548"	388.139302	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Cl"	34.969402
"26645"	743.288406	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M-2H+K"	36.948606
"467299"	1096.458306	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M-2H+K"	36.948606
"845828"	390.118506	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-2H+K"	36.948606
"1569318"	390.118506	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+K-2H"	36.948606
"955376"	398.168094	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-H+HCOOH"	44.998194
"370310"	751.338001	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+HCOOH-H"	44.998201
"355285"	765.353651	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+Hac-H"	59.013851
"1506554"	412.183751	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Hac-H"	59.013851
"972389"	420.150051	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-H+NaCOOH"	66.980151
"121660"	388.139302	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+2Cl"	69.938804
"557940"	564.724252	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+2Cl"	69.938804
"1032210"	211.554352	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2Cl"	69.938804
"1254712"	432.088785	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Br"	78.918885
"1315333"	434.144772	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Cl+HCOOH"	80.974872
"1335398"	456.126729	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Cl+NaCOOH"	102.956829
"926815"	466.155486	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M-H+CF3COOH"	112.985586
"1303521"	502.132164	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Cl+CF3COOH"	148.962264
"1382657"	318.157224	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H-2H2O"	-35.012676
"1397721"	336.1672	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H-H2O"	-17.0027
"298099"	707.347076	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+H"	1.007276
"689461"	1060.516976	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+H"	1.007276
"1364716"	354.177176	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H"	1.007276
"140403"	354.177176	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+2H"	2.014552
"579721"	530.762126	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+2H"	2.014552
"1049612"	177.592226	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2H"	2.014552
"218604"	236.453876	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+3H"	3.021828
"657800"	354.177176	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+3H"	3.021828
"1175926"	118.730576	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+3H"	3.021828
"438836"	724.373623	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+NH4"	18.033823
"799468"	1077.543523	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+NH4"	18.033823
"1693248"	371.203723	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+NH4"	18.033823
"342257"	362.6904495	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+H+NH4"	19.041099
"732854"	539.2753995	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+H+NH4"	19.041099
"1484489"	186.1054995	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H+NH4"	19.041099
"398794"	729.329018	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+Na"	22.989218
"757603"	1082.498918	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+Na"	22.989218
"1606794"	376.159118	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Na"	22.989218
"316833"	365.168147	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+H+Na"	23.996494
"708282"	541.753097	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+H+Na"	23.996494
"1464168"	188.583197	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H+Na"	23.996494
"1058509"	126.05789	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2H+Na"	25.00377
"1268938"	386.203386	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+CH3OH+H"	33.033486
"384232"	745.302958	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+K"	38.963158
"747417"	1098.472858	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+K"	38.963158
"1547282"	392.133058	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+K"	38.963158
"307739"	373.155117	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+H+K"	39.970434
"703443"	549.740067	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+H+K"	39.970434
"1457993"	196.570167	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H+K"	39.970434
"249145"	748.373626	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+ACN+H"	42.033826
"1223679"	395.203726	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+ACN+H"	42.033826
"1209022"	198.105501	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+ACN+2H"	43.041102
"201528"	751.31096	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+2Na-H"	44.97116
"641088"	1104.48086	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+2Na-H"	44.97116
"1142771"	398.14106	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2Na-H"	44.97116
"182417"	376.159118	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+2Na"	45.978436
"622707"	552.744068	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+2Na"	45.978436
"1120378"	199.574168	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2Na"	45.978436
"1400248"	133.385204	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H+2Na"	46.985712
"1436015"	400.182646	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H+HCOOH"	47.012746
"226804"	381.19214	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+3H2O+2H"	56.04448
"1512681"	414.23469	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+IsoProp+H"	61.06479
"409814"	384.146088	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+Na+K"	61.952376
"770195"	560.731038	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+Na+K"	61.952376
"1666779"	207.561138	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Na+K"	61.952376
"254029"	770.355568	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+ACN+Na"	64.015768
"1240600"	417.185668	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+ACN+Na"	64.015768
"1725112"	417.209193	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+NH4+HCOOH"	64.039293
"1191925"	140.712518	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+3Na"	68.967654
"1665099"	422.164588	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Na+HCOOH"	68.994688
"169770"	783.25884	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+2K-H"	76.91904
"608237"	1136.42874	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+2K-H"	76.91904
"1096029"	430.08894	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2K-H"	76.91904
"149565"	392.133058	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"2M+2K"	77.926316
"589126"	568.718008	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"3M+2K"	77.926316
"1076918"	215.548108	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2K"	77.926316
"1107942"	432.103492	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2K+H"	78.933592
"1343233"	432.191107	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+DMSO+H"	79.021207
"1009574"	436.230276	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2ACN+H"	83.060376
"1534263"	437.223908	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+IsoProp+Na+H"	84.054008
"999618"	218.618776	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+2ACN+2H"	84.067652
"1594122"	438.138528	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+K+HCOOH"	84.968628
"1419788"	468.170038	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+H+CF3COOH"	115.000138
"1156640"	239.132051	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+3ACN+2H"	125.094202
"1705098"	485.196585	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+NH4+CF3COOH"	132.026685
"1649378"	490.15198	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+Na+CF3COOH"	136.98208
"1582961"	506.12592	"C16447"	"Dihydrozeatin riboside"	"C15H23N5O5"	"353.1699"	"M+K+CF3COOH"	152.95602
"815153"	383.1805	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M"	0
"983581"	364.16211	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-H2O-H"	-19.01839
"76565"	254.446390666667	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M-3H"	-3.021828
"512479"	382.173224	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M-3H"	-3.021828
"883724"	126.719557333333	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-3H"	-3.021828
"11045"	382.173224	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M-2H"	-2.014552
"445141"	573.763474	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M-2H"	-2.014552
"825130"	190.582974	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-2H"	-2.014552
"85123"	765.353724	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M-H"	-1.007276
"526868"	1148.534224	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M-H"	-1.007276
"904670"	382.173224	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-H"	-1.007276
"53578"	782.380271	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M-2H+NH4"	16.019271
"498608"	1165.560771	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M-2H+NH4"	16.019271
"876409"	399.199771	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-2H+NH4"	16.019271
"45286"	787.335666	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M-2H+Na"	20.974666
"484966"	1170.516166	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M-2H+Na"	20.974666
"863456"	404.155166	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-2H+Na"	20.974666
"1625740"	404.155166	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Na-2H"	20.974666
"107371"	400.161563	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M-H+Cl"	33.962126
"546931"	591.751813	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M-H+Cl"	33.962126
"936437"	208.571313	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-H+Cl"	33.962126
"270620"	801.330402	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+Cl"	34.969402
"665230"	1184.510902	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+Cl"	34.969402
"1285655"	418.149902	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Cl"	34.969402
"25660"	803.309606	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M-2H+K"	36.948606
"467407"	1186.490106	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M-2H+K"	36.948606
"840834"	420.129106	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-2H+K"	36.948606
"1570155"	420.129106	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+K-2H"	36.948606
"953299"	428.178694	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-H+HCOOH"	44.998194
"373700"	811.359201	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+HCOOH-H"	44.998201
"358675"	825.374851	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+Hac-H"	59.013851
"1507149"	442.194351	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Hac-H"	59.013851
"972863"	450.160651	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-H+NaCOOH"	66.980151
"123593"	418.149902	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+2Cl"	69.938804
"554770"	609.740152	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+2Cl"	69.938804
"1033784"	226.559652	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2Cl"	69.938804
"1254822"	462.099385	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Br"	78.918885
"1317265"	464.155372	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Cl+HCOOH"	80.974872
"1335558"	486.137329	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Cl+NaCOOH"	102.956829
"926563"	496.166086	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M-H+CF3COOH"	112.985586
"1303143"	532.142764	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Cl+CF3COOH"	148.962264
"1382405"	348.167824	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H-2H2O"	-35.012676
"1397708"	366.1778	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H-H2O"	-17.0027
"298441"	767.368276	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+H"	1.007276
"687384"	1150.548776	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+H"	1.007276
"1364462"	384.187776	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H"	1.007276
"140878"	384.187776	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+2H"	2.014552
"579102"	575.778026	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+2H"	2.014552
"1050451"	192.597526	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2H"	2.014552
"219079"	256.460942666667	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+3H"	3.021828
"655724"	384.187776	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+3H"	3.021828
"1176036"	128.734109333333	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+3H"	3.021828
"437488"	784.394823	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+NH4"	18.033823
"797025"	1167.575323	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+NH4"	18.033823
"1692630"	401.214323	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+NH4"	18.033823
"340180"	392.7010495	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+H+NH4"	19.041099
"729684"	584.2912995	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+H+NH4"	19.041099
"1485691"	201.1107995	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H+NH4"	19.041099
"395258"	789.350218	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+Na"	22.989218
"757713"	1172.530718	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+Na"	22.989218
"1605811"	406.169718	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Na"	22.989218
"316943"	395.178747	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+H+Na"	23.996494
"708271"	586.768997	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+H+Na"	23.996494
"1464278"	203.588497	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H+Na"	23.996494
"1060805"	136.061423333333	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2H+Na"	25.00377
"1266861"	416.213986	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+CH3OH+H"	33.033486
"383248"	805.324158	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+K"	38.963158
"747527"	1188.504658	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+K"	38.963158
"1547390"	422.143658	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+K"	38.963158
"305661"	403.165717	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+H+K"	39.970434
"700271"	594.755967	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+H+K"	39.970434
"1458466"	211.575467	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H+K"	39.970434
"249254"	808.394826	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+ACN+H"	42.033826
"1220869"	425.214326	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+ACN+H"	42.033826
"1205848"	213.110801	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+ACN+2H"	43.041102
"199815"	811.33216	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+2Na-H"	44.97116
"639374"	1194.51266	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+2Na-H"	44.97116
"1141785"	428.15166	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2Na-H"	44.97116
"183984"	406.169718	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+2Na"	45.978436
"620265"	597.759968	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+2Na"	45.978436
"1125957"	214.579468	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2Na"	45.978436
"1401452"	143.388737333333	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H+2Na"	46.985712
"1433568"	430.193246	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H+HCOOH"	47.012746
"223633"	411.20274	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+3H2O+2H"	56.04448
"1511332"	444.24529	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+IsoProp+H"	61.06479
"411016"	414.156688	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+Na+K"	61.952376
"771277"	605.746938	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+Na+K"	61.952376
"1667980"	222.566438	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Na+K"	61.952376
"253411"	830.376768	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+ACN+Na"	64.015768
"1238524"	447.196268	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+ACN+Na"	64.015768
"1725222"	447.219793	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+NH4+HCOOH"	64.039293
"1192400"	150.716051333333	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+3Na"	68.967654
"1664478"	452.175188	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Na+HCOOH"	68.994688
"168787"	843.28004	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+2K-H"	76.91904
"608347"	1226.46054	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+2K-H"	76.91904
"1096139"	460.09954	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2K-H"	76.91904
"148582"	422.143658	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"2M+2K"	77.926316
"590329"	613.733908	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"3M+2K"	77.926316
"1077028"	230.553408	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2K"	77.926316
"1108052"	462.114092	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2K+H"	78.933592
"1345530"	462.201707	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+DMSO+H"	79.021207
"1019528"	466.240876	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2ACN+H"	83.060376
"1533279"	467.234508	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+IsoProp+Na+H"	84.054008
"1000821"	233.624076	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+2ACN+2H"	84.067652
"1593135"	468.149128	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+K+HCOOH"	84.968628
"1417711"	498.180638	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+H+CF3COOH"	115.000138
"1156750"	254.137351	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+3ACN+2H"	125.094202
"1706301"	515.207185	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+NH4+CF3COOH"	132.026685
"1649488"	520.16258	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+Na+CF3COOH"	136.98208
"1583071"	536.13652	"C16448"	"Dihydrozeatin-O-glucoside"	"C16H25N5O6"	"383.1805"	"M+K+CF3COOH"	152.95602
"814900"	351.1543	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M"	0
"981505"	332.13591	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H2O-H"	-19.01839
"76675"	233.095590666667	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-3H"	-3.021828
"512589"	350.147024	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-3H"	-3.021828
"892214"	116.044157333333	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-3H"	-3.021828
"11156"	350.147024	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H"	-2.014552
"443065"	525.724174	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H"	-2.014552
"823053"	174.569874	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H"	-2.014552
"80859"	701.301324	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-H"	-1.007276
"525885"	1052.455624	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-H"	-1.007276
"904780"	350.147024	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H"	-1.007276
"53688"	718.327871	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H+NH4"	16.019271
"499811"	1069.482171	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H+NH4"	16.019271
"874333"	367.173571	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H+NH4"	16.019271
"42235"	723.283266	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H+Na"	20.974666
"484710"	1074.437566	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H+Na"	20.974666
"863241"	372.128966	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H+Na"	20.974666
"1629130"	372.128966	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na-2H"	20.974666
"105657"	368.135363	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-H+Cl"	33.962126
"545219"	543.712513	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-H+Cl"	33.962126
"936547"	192.558213	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+Cl"	33.962126
"271823"	737.278002	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Cl"	34.969402
"663153"	1088.432302	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+Cl"	34.969402
"1278838"	386.123702	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl"	34.969402
"25770"	739.257206	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M-2H+K"	36.948606
"464237"	1090.411506	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M-2H+K"	36.948606
"837664"	388.102906	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-2H+K"	36.948606
"1564432"	388.102906	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K-2H"	36.948606
"956689"	396.152494	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+HCOOH"	44.998194
"369436"	747.306801	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+HCOOH-H"	44.998201
"356598"	761.322451	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Hac-H"	59.013851
"1502151"	410.168151	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Hac-H"	59.013851
"968598"	418.134451	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+NaCOOH"	66.980151
"119692"	386.123702	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2Cl"	69.938804
"552693"	561.700852	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2Cl"	69.938804
"1034258"	210.546552	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2Cl"	69.938804
"1256636"	430.073185	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Br"	78.918885
"1317740"	432.129172	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl+HCOOH"	80.974872
"1335440"	454.111129	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl+NaCOOH"	102.956829
"926306"	464.139886	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M-H+CF3COOH"	112.985586
"1303134"	500.116564	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Cl+CF3COOH"	148.962264
"1382145"	316.141624	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H-2H2O"	-35.012676
"1397698"	334.1516	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H-H2O"	-17.0027
"297263"	703.315876	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H"	1.007276
"687494"	1054.470176	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H"	1.007276
"1363843"	352.161576	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H"	1.007276
"140867"	352.161576	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2H"	2.014552
"579573"	527.738726	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2H"	2.014552
"1047642"	176.584426	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2H"	2.014552
"217001"	235.110142666667	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+3H"	3.021828
"654741"	352.161576	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+3H"	3.021828
"1177239"	118.058709333333	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+3H"	3.021828
"437233"	720.342423	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+NH4"	18.033823
"797135"	1071.496723	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+NH4"	18.033823
"1693833"	369.188123	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+NH4"	18.033823
"340654"	360.6748495	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H+NH4"	19.041099
"729794"	536.2519995	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H+NH4"	19.041099
"1484708"	185.0976995	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+NH4"	19.041099
"394640"	725.297818	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Na"	22.989218
"757823"	1076.452118	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+Na"	22.989218
"1604827"	374.143518	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na"	22.989218
"317053"	363.152547	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H+Na"	23.996494
"709474"	538.729697	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H+Na"	23.996494
"1466575"	187.575397	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+Na"	23.996494
"1059822"	125.386023333333	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2H+Na"	25.00377
"1265877"	384.187786	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+CH3OH+H"	33.033486
"383358"	741.271758	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+K"	38.963158
"746544"	1092.426058	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+K"	38.963158
"1549688"	390.117458	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K"	38.963158
"304677"	371.139517	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+H+K"	39.970434
"697101"	546.716667	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+H+K"	39.970434
"1457482"	195.562367	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+K"	39.970434
"247178"	744.342426	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+ACN+H"	42.033826
"1222075"	393.188126	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+ACN+H"	42.033826
"1205958"	197.097701	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+ACN+2H"	43.041102
"197738"	747.27976	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2Na-H"	44.97116
"638389"	1098.43406	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2Na-H"	44.97116
"1140072"	396.12546	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2Na-H"	44.97116
"178627"	374.143518	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2Na"	45.978436
"617095"	549.720668	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2Na"	45.978436
"1122787"	198.566368	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2Na"	45.978436
"1400103"	132.713337333333	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+2Na"	46.985712
"1431126"	398.167046	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+HCOOH"	47.012746
"222651"	379.17654	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+3H2O+2H"	56.04448
"1509986"	412.21909	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+IsoProp+H"	61.06479
"411130"	382.130488	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+Na+K"	61.952376
"770781"	557.707638	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+Na+K"	61.952376
"1667361"	206.553338	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na+K"	61.952376
"254250"	766.324368	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+ACN+Na"	64.015768
"1234987"	415.170068	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+ACN+Na"	64.015768
"1725696"	415.193593	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+NH4+HCOOH"	64.039293
"1190686"	140.040651333333	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+3Na"	68.967654
"1662401"	420.148988	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na+HCOOH"	68.994688
"170355"	779.22764	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2K-H"	76.91904
"606269"	1130.38194	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2K-H"	76.91904
"1094061"	428.07334	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2K-H"	76.91904
"147598"	390.117458	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"2M+2K"	77.926316
"589346"	565.694608	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"3M+2K"	77.926316
"1074951"	214.540308	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2K"	77.926316
"1104882"	430.087892	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2K+H"	78.933592
"1341265"	430.175507	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+DMSO+H"	79.021207
"1015264"	434.214676	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2ACN+H"	83.060376
"1532295"	435.208308	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+IsoProp+Na+H"	84.054008
"995463"	217.610976	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+2ACN+2H"	84.067652
"1595432"	436.122928	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K+HCOOH"	84.968628
"1417821"	466.154438	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+H+CF3COOH"	115.000138
"1156860"	238.124251	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+3ACN+2H"	125.094202
"1707504"	483.180985	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+NH4+CF3COOH"	132.026685
"1649679"	488.13638	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+Na+CF3COOH"	136.98208
"1583181"	504.11032	"C16449"	"cis-Zeatin riboside"	"C15H21N5O5"	"351.1543"	"M+K+CF3COOH"	152.95602
"813551"	54.047	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M"	0
"981615"	35.02861	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-H2O-H"	-19.01839
"76420"	35.0240573333333	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M-3H"	-3.021828
"512699"	53.039724	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M-3H"	-3.021828
"892324"	17.0083906666667	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-3H"	-3.021828
"12360"	53.039724	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M-2H"	-2.014552
"443173"	80.063224	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M-2H"	-2.014552
"825349"	26.016224	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-2H"	-2.014552
"79876"	107.086724	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M-H"	-1.007276
"523808"	161.133724	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M-H"	-1.007276
"904890"	53.039724	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-H"	-1.007276
"57077"	124.113271	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M-2H+NH4"	16.019271
"499557"	178.160271	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M-2H+NH4"	16.019271
"874443"	70.066271	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-2H+NH4"	16.019271
"43074"	129.068666	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M-2H+Na"	20.974666
"482998"	183.115666	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M-2H+Na"	20.974666
"860800"	75.021666	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-2H+Na"	20.974666
"1630334"	75.021666	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Na-2H"	20.974666
"105767"	71.028063	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M-H+Cl"	33.962126
"545329"	98.051563	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M-H+Cl"	33.962126
"937752"	44.004563	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-H+Cl"	33.962126
"275213"	143.063402	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+Cl"	34.969402
"664356"	197.110402	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+Cl"	34.969402
"1278948"	89.016402	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Cl"	34.969402
"24787"	145.042606	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M-2H+K"	36.948606
"465440"	199.089606	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M-2H+K"	36.948606
"835587"	90.995606	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-2H+K"	36.948606
"1564542"	90.995606	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+K-2H"	36.948606
"952425"	99.045194	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-H+HCOOH"	44.998194
"370640"	153.092201	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+HCOOH-H"	44.998201
"358531"	167.107851	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+Hac-H"	59.013851
"1503354"	113.060851	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Hac-H"	59.013851
"970531"	121.027151	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-H+NaCOOH"	66.980151
"119803"	89.016402	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+2Cl"	69.938804
"552803"	116.039902	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+2Cl"	69.938804
"1032539"	61.992902	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2Cl"	69.938804
"1251023"	132.965885	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Br"	78.918885
"1317848"	135.021872	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Cl+HCOOH"	80.974872
"1335117"	157.003829	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Cl+NaCOOH"	102.956829
"926053"	167.032586	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M-H+CF3COOH"	112.985586
"1303853"	203.009264	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Cl+CF3COOH"	148.962264
"1380188"	19.034324	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H-2H2O"	-35.012676
"1396957"	37.0443	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H-H2O"	-17.0027
"296644"	109.101276	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+H"	1.007276
"689428"	163.148276	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+H"	1.007276
"1363226"	55.054276	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H"	1.007276
"136479"	55.054276	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+2H"	2.014552
"575673"	82.077776	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+2H"	2.014552
"1048118"	28.030776	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2H"	2.014552
"214193"	37.0386093333333	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+3H"	3.021828
"654851"	55.054276	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+3H"	3.021828
"1175165"	19.0229426666667	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+3H"	3.021828
"436617"	126.127823	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+NH4"	18.033823
"798342"	180.174823	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+NH4"	18.033823
"1690665"	72.080823	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+NH4"	18.033823
"335296"	63.5675495	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+H+NH4"	19.041099
"729904"	90.5910495	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+H+NH4"	19.041099
"1481537"	36.5440495	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H+NH4"	19.041099
"399123"	131.083218	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+Na"	22.989218
"757933"	185.130218	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+Na"	22.989218
"1606031"	77.036218	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Na"	22.989218
"317163"	66.045247	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+H+Na"	23.996494
"709583"	93.068747	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+H+Na"	23.996494
"1469965"	39.021747	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H+Na"	23.996494
"1062118"	26.3502566666667	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2H+Na"	25.00377
"1260518"	87.080486	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+CH3OH+H"	33.033486
"380187"	147.057158	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+K"	38.963158
"743370"	201.104158	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+K"	38.963158
"1544330"	93.010158	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+K"	38.963158
"300414"	74.032217	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+H+K"	39.970434
"701586"	101.055717	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+H+K"	39.970434
"1457594"	47.008717	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H+K"	39.970434
"249476"	150.127826	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+ACN+H"	42.033826
"1223279"	96.080826	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+ACN+H"	42.033826
"1206068"	48.544051	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+ACN+2H"	43.041102
"200765"	153.06516	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+2Na-H"	44.97116
"638501"	207.11216	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+2Na-H"	44.97116
"1140913"	99.01816	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2Na-H"	44.97116
"182018"	77.036218	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+2Na"	45.978436
"617205"	104.059718	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+2Na"	45.978436
"1123993"	50.012718	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2Na"	45.978436
"1401068"	33.6775706666667	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H+2Na"	46.985712
"1433063"	101.059746	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H+HCOOH"	47.012746
"223854"	82.06924	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+3H2O+2H"	56.04448
"1513377"	115.11179	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+IsoProp+H"	61.06479
"412700"	85.023188	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+Na+K"	61.952376
"771134"	112.046688	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+Na+K"	61.952376
"1667468"	57.999688	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Na+K"	61.952376
"253267"	172.109768	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+ACN+Na"	64.015768
"1231451"	118.062768	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+ACN+Na"	64.015768
"1722524"	118.086293	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+NH4+HCOOH"	64.039293
"1190067"	41.0048846666667	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+3Na"	68.967654
"1662144"	123.041688	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Na+HCOOH"	68.994688
"163540"	185.01304	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+2K-H"	76.91904
"608566"	239.06004	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+2K-H"	76.91904
"1095264"	130.96604	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2K-H"	76.91904
"148801"	93.010158	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"2M+2K"	77.926316
"589455"	120.033658	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"3M+2K"	77.926316
"1073239"	65.986658	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2K"	77.926316
"1101346"	132.980592	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2K+H"	78.933592
"1338458"	133.068207	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+DMSO+H"	79.021207
"1009907"	137.107376	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2ACN+H"	83.060376
"1530218"	138.101008	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+IsoProp+Na+H"	84.054008
"994480"	69.057326	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+2ACN+2H"	84.067652
"1591169"	139.015628	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+K+HCOOH"	84.968628
"1417931"	169.047138	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+H+CF3COOH"	115.000138
"1156970"	89.570601	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+3ACN+2H"	125.094202
"1706521"	186.073685	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+NH4+CF3COOH"	132.026685
"1649668"	191.02908	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+Na+CF3COOH"	136.98208
"1583291"	207.00302	"C16450"	"13-Butadiene"	"C4H6"	"54.047"	"M+K+CF3COOH"	152.95602
"814757"	177.0902	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M"	0
"986833"	158.07181	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-H2O-H"	-19.01839
"76167"	117.052857333333	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M-3H"	-3.021828
"515000"	176.082924	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M-3H"	-3.021828
"886241"	58.0227906666667	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-3H"	-3.021828
"236"	176.082924	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M-2H"	-2.014552
"440320"	264.628024	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M-2H"	-2.014552
"823272"	87.537824	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-2H"	-2.014552
"86544"	353.173124	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M-H"	-1.007276
"529383"	530.263324	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M-H"	-1.007276
"901718"	176.082924	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-H"	-1.007276
"57188"	370.199671	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M-2H+NH4"	16.019271
"491281"	547.289871	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M-2H+NH4"	16.019271
"872363"	193.109471	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-2H+NH4"	16.019271
"42090"	375.155066	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M-2H+Na"	20.974666
"484201"	552.245266	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M-2H+Na"	20.974666
"855440"	198.064866	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-2H+Na"	20.974666
"1630440"	198.064866	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Na-2H"	20.974666
"102597"	194.071263	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M-H+Cl"	33.962126
"543251"	282.616363	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M-H+Cl"	33.962126
"934579"	105.526163	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-H+Cl"	33.962126
"270951"	389.149802	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+Cl"	34.969402
"664467"	566.240002	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+Cl"	34.969402
"1279058"	212.059602	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Cl"	34.969402
"22708"	391.129006	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M-2H+K"	36.948606
"465549"	568.219206	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M-2H+K"	36.948606
"836790"	214.038806	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-2H+K"	36.948606
"1559185"	214.038806	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+K-2H"	36.948606
"950348"	222.088394	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-H+HCOOH"	44.998194
"369656"	399.178601	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+HCOOH-H"	44.998201
"358641"	413.194251	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+Hac-H"	59.013851
"1503464"	236.104051	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Hac-H"	59.013851
"970641"	244.070351	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-H+NaCOOH"	66.980151
"114446"	212.059602	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+2Cl"	69.938804
"554005"	300.604702	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+2Cl"	69.938804
"1031557"	123.514502	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2Cl"	69.938804
"1254056"	256.009085	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Br"	78.918885
"1319431"	258.065072	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Cl+HCOOH"	80.974872
"1335461"	280.047029	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Cl+NaCOOH"	102.956829
"926769"	290.075786	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M-H+CF3COOH"	112.985586
"1304003"	326.052464	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Cl+CF3COOH"	148.962264
"1382534"	142.077524	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H-2H2O"	-35.012676
"1398164"	160.0875	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H-H2O"	-17.0027
"297118"	355.187676	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+H"	1.007276
"688810"	532.277876	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+H"	1.007276
"1365160"	178.097476	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H"	1.007276
"139507"	178.097476	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+2H"	2.014552
"577608"	266.642576	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+2H"	2.014552
"1048228"	89.552376	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2H"	2.014552
"211026"	119.067409333333	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+3H"	3.021828
"656783"	178.097476	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+3H"	3.021828
"1175641"	60.0373426666667	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+3H"	3.021828
"437821"	372.214223	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+NH4"	18.033823
"797721"	549.304423	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+NH4"	18.033823
"1692961"	195.124023	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+NH4"	18.033823
"337229"	186.6107495	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+H+NH4"	19.041099
"731108"	275.1558495	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+H+NH4"	19.041099
"1487844"	98.0656495	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H+NH4"	19.041099
"399234"	377.169618	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+Na"	22.989218
"761322"	554.259818	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+Na"	22.989218
"1610513"	200.079418	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Na"	22.989218
"323834"	189.088447	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+H+Na"	23.996494
"718808"	277.633547	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+H+Na"	23.996494
"1471170"	100.543347	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H+Na"	23.996494
"1062231"	67.3646566666667	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2H+Na"	25.00377
"1262818"	210.123686	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+CH3OH+H"	33.033486
"381393"	393.143558	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+K"	38.963158
"744578"	570.233758	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+K"	38.963158
"1546631"	216.053358	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+K"	38.963158
"303807"	197.075417	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+H+K"	39.970434
"703883"	285.620517	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+H+K"	39.970434
"1460015"	108.530317	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H+K"	39.970434
"249225"	396.214226	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+ACN+H"	42.033826
"1222298"	219.124026	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+ACN+H"	42.033826
"1206180"	110.065651	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+ACN+2H"	43.041102
"201240"	399.15156	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+2Na-H"	44.97116
"640794"	576.24176	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+2Na-H"	44.97116
"1142116"	222.06136	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2Na-H"	44.97116
"184315"	200.079418	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+2Na"	45.978436
"620593"	288.624518	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+2Na"	45.978436
"1117410"	111.534318	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2Na"	45.978436
"1401057"	74.6919706666667	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H+2Na"	46.985712
"1432080"	224.102946	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H+HCOOH"	47.012746
"225057"	205.11244	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+3H2O+2H"	56.04448
"1512025"	238.15499	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+IsoProp+H"	61.06479
"417178"	208.066388	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+Na+K"	61.952376
"770886"	296.611488	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+Na+K"	61.952376
"1670142"	119.521288	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Na+K"	61.952376
"262131"	418.196168	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+ACN+Na"	64.015768
"1233749"	241.105968	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+ACN+Na"	64.015768
"1724093"	241.129493	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+NH4+HCOOH"	64.039293
"1189811"	82.0192846666667	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+3Na"	68.967654
"1658974"	246.084888	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Na+HCOOH"	68.994688
"166929"	431.09944	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+2K-H"	76.91904
"606490"	608.18964	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+2K-H"	76.91904
"1091003"	254.00924	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2K-H"	76.91904
"151098"	216.053358	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"2M+2K"	77.926316
"590658"	304.598458	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"3M+2K"	77.926316
"1075172"	127.508258	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2K"	77.926316
"1104008"	256.023792	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2K+H"	78.933592
"1340755"	256.111407	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+DMSO+H"	79.021207
"1015484"	260.150576	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2ACN+H"	83.060376
"1531422"	261.144208	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+IsoProp+Na+H"	84.054008
"994588"	130.578926	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+2ACN+2H"	84.067652
"1590187"	262.058828	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+K+HCOOH"	84.968628
"1416579"	292.090338	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+H+CF3COOH"	115.000138
"1154895"	151.092201	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+3ACN+2H"	125.094202
"1709914"	309.116885	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+NH4+CF3COOH"	132.026685
"1645564"	314.07228	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+Na+CF3COOH"	136.98208
"1575748"	330.04622	"C16452"	"N-Nitrosonornicotine;NNN"	"C9H11N3O"	"177.0902"	"M+K+CF3COOH"	152.95602
"815231"	207.1008	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M"	0
"986943"	188.08241	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-H2O-H"	-19.01839
"74455"	137.059924	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M-3H"	-3.021828
"514017"	206.093524	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M-3H"	-3.021828
"885257"	68.026324	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-3H"	-3.021828
"1035"	206.093524	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M-2H"	-2.014552
"442300"	309.643924	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M-2H"	-2.014552
"824476"	102.543124	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-2H"	-2.014552
"85560"	413.194324	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M-H"	-1.007276
"529493"	620.295124	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M-H"	-1.007276
"905108"	206.093524	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-H"	-1.007276
"57297"	430.220871	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M-2H+NH4"	16.019271
"491391"	637.321671	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M-2H+NH4"	16.019271
"869193"	223.120071	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-2H+NH4"	16.019271
"43292"	435.176266	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M-2H+Na"	20.974666
"483947"	642.277066	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M-2H+Na"	20.974666
"852270"	228.075466	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-2H+Na"	20.974666
"1631643"	228.075466	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Na-2H"	20.974666
"105987"	224.081863	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M-H+Cl"	33.962126
"545548"	327.632263	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M-H+Cl"	33.962126
"937969"	120.531463	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-H+Cl"	33.962126
"272154"	449.171002	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+Cl"	34.969402
"664577"	656.271802	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+Cl"	34.969402
"1280261"	242.070202	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Cl"	34.969402
"23911"	451.150206	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M-2H+K"	36.948606
"466752"	658.251006	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M-2H+K"	36.948606
"837993"	244.049406	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-2H+K"	36.948606
"1560388"	244.049406	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+K-2H"	36.948606
"950458"	252.098994	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-H+HCOOH"	44.998194
"369766"	459.199801	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+HCOOH-H"	44.998201
"361170"	473.215451	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+Hac-H"	59.013851
"1503574"	266.114651	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Hac-H"	59.013851
"973302"	274.080951	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-H+NaCOOH"	66.980151
"116743"	242.070202	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+2Cl"	69.938804
"554480"	345.620602	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+2Cl"	69.938804
"1034582"	138.519802	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2Cl"	69.938804
"1255261"	286.019685	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Br"	78.918885
"1318691"	288.075672	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Cl+HCOOH"	80.974872
"1334113"	310.057629	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Cl+NaCOOH"	102.956829
"925535"	320.086386	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M-H+CF3COOH"	112.985586
"1303711"	356.063064	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Cl+CF3COOH"	148.962264
"1380769"	172.088124	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H-2H2O"	-35.012676
"1397665"	190.0981	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H-H2O"	-17.0027
"296864"	415.208876	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+H"	1.007276
"691108"	622.309676	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+H"	1.007276
"1364904"	208.108076	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H"	1.007276
"140345"	208.108076	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+2H"	2.014552
"580877"	311.658476	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+2H"	2.014552
"1049795"	104.557676	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2H"	2.014552
"214414"	139.074476	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+3H"	3.021828
"651789"	208.108076	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+3H"	3.021828
"1175748"	70.040876	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+3H"	3.021828
"439269"	432.235423	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+NH4"	18.033823
"798560"	639.336223	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+NH4"	18.033823
"1693071"	225.134623	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+NH4"	18.033823
"334423"	216.6213495	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+H+NH4"	19.041099
"730125"	320.1717495	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+H+NH4"	19.041099
"1485038"	113.0709495	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H+NH4"	19.041099
"399344"	437.190818	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+Na"	22.989218
"760339"	644.291618	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+Na"	22.989218
"1607344"	230.090018	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Na"	22.989218
"321757"	219.099047	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+H+Na"	23.996494
"721227"	322.649447	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+H+Na"	23.996494
"1473467"	115.548647	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H+Na"	23.996494
"1064526"	77.36819	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2H+Na"	25.00377
"1267300"	240.134286	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+CH3OH+H"	33.033486
"388061"	453.164758	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+K"	38.963158
"746874"	660.265558	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+K"	38.963158
"1547833"	246.063958	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+K"	38.963158
"310478"	227.086017	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+H+K"	39.970434
"700709"	330.636417	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+H+K"	39.970434
"1457813"	123.535617	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H+K"	39.970434
"248599"	456.235426	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+ACN+H"	42.033826
"1222408"	249.134626	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+ACN+H"	42.033826
"1206659"	125.070951	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+ACN+2H"	43.041102
"200622"	459.17276	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+2Na-H"	44.97116
"639817"	666.27356	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+2Na-H"	44.97116
"1142957"	252.07196	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2Na-H"	44.97116
"184423"	230.090018	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+2Na"	45.978436
"620703"	333.640418	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+2Na"	45.978436
"1116913"	126.539618	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2Na"	45.978436
"1400437"	84.695504	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H+2Na"	46.985712
"1431460"	254.113546	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H+HCOOH"	47.012746
"224074"	235.12304	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+3H2O+2H"	56.04448
"1510310"	268.16559	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+IsoProp+H"	61.06479
"414008"	238.076988	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+Na+K"	61.952376
"770507"	341.627388	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+Na+K"	61.952376
"1672437"	134.526588	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Na+K"	61.952376
"262241"	478.217368	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+ACN+Na"	64.015768
"1234951"	271.116568	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+ACN+Na"	64.015768
"1723836"	271.140093	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+NH4+HCOOH"	64.039293
"1188098"	92.022818	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+3Na"	68.967654
"1657988"	276.095488	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Na+HCOOH"	68.994688
"165945"	491.12064	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+2K-H"	76.91904
"607693"	698.22144	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+2K-H"	76.91904
"1092205"	284.01984	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2K-H"	76.91904
"149022"	246.063958	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"2M+2K"	77.926316
"589675"	349.614358	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"3M+2K"	77.926316
"1073096"	142.513558	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2K"	77.926316
"1105210"	286.034392	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2K+H"	78.933592
"1339771"	286.122007	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+DMSO+H"	79.021207
"1011219"	290.161176	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2ACN+H"	83.060376
"1528252"	291.154808	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+IsoProp+Na+H"	84.054008
"994698"	145.584226	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+2ACN+2H"	84.067652
"1588838"	292.069428	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+K+HCOOH"	84.968628
"1415232"	322.100938	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+H+CF3COOH"	115.000138
"1156098"	166.097501	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+3ACN+2H"	125.094202
"1710024"	339.127485	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+NH4+CF3COOH"	132.026685
"1645674"	344.08288	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+Na+CF3COOH"	136.98208
"1575858"	360.05682	"C16453"	"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK"	"C10H13N3O2"	"207.1008"	"M+K+CF3COOH"	152.95602
"815341"	222.0176	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M"	0
"988512"	202.99921	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-H2O-H"	-19.01839
"77808"	147.004457333333	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M-3H"	-3.021828
"517406"	221.010324	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M-3H"	-3.021828
"888647"	72.9985906666667	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-3H"	-3.021828
"11597"	221.010324	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M-2H"	-2.014552
"446783"	332.019124	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M-2H"	-2.014552
"828959"	110.001524	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-2H"	-2.014552
"91137"	443.027924	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M-H"	-1.007276
"531426"	665.045524	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M-H"	-1.007276
"908498"	221.010324	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-H"	-1.007276
"58138"	460.054471	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M-2H+NH4"	16.019271
"499156"	682.072071	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M-2H+NH4"	16.019271
"872584"	238.036871	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-2H+NH4"	16.019271
"42675"	465.009866	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M-2H+Na"	20.974666
"485152"	687.027466	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M-2H+Na"	20.974666
"860037"	242.992266	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-2H+Na"	20.974666
"1630661"	242.992266	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Na-2H"	20.974666
"106098"	238.998663	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M-H+Cl"	33.962126
"544565"	350.007463	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M-H+Cl"	33.962126
"936987"	127.989863	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-H+Cl"	33.962126
"272264"	479.004602	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+Cl"	34.969402
"672343"	701.022202	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+Cl"	34.969402
"1280371"	256.987002	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Cl"	34.969402
"22928"	480.983806	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M-2H+K"	36.948606
"463582"	703.001406	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M-2H+K"	36.948606
"840291"	258.966206	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-2H+K"	36.948606
"1561592"	258.966206	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+K-2H"	36.948606
"953848"	267.015794	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-H+HCOOH"	44.998194
"369876"	489.033401	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+HCOOH-H"	44.998201
"360326"	503.049051	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+Hac-H"	59.013851
"1505871"	281.031451	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Hac-H"	59.013851
"973778"	288.997751	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-H+NaCOOH"	66.980151
"117947"	256.987002	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+2Cl"	69.938804
"556412"	367.995802	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+2Cl"	69.938804
"1035056"	145.978202	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2Cl"	69.938804
"1253913"	300.936485	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Br"	78.918885
"1319867"	302.992472	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Cl+HCOOH"	80.974872
"1334224"	324.974429	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Cl+NaCOOH"	102.956829
"925283"	335.003186	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M-H+CF3COOH"	112.985586
"1303951"	370.979864	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Cl+CF3COOH"	148.962264
"1382671"	187.004924	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H-2H2O"	-35.012676
"1398346"	205.0149	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H-H2O"	-17.0027
"298316"	445.042476	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+H"	1.007276
"690740"	667.060076	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+H"	1.007276
"1366799"	223.024876	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H"	1.007276
"140945"	223.024876	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+2H"	2.014552
"580015"	334.033676	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+2H"	2.014552
"1051976"	112.016076	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2H"	2.014552
"219265"	149.019009333333	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+3H"	3.021828
"655179"	223.024876	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+3H"	3.021828
"1176954"	75.0131426666667	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+3H"	3.021828
"437679"	462.069023	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+NH4"	18.033823
"797213"	684.086623	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+NH4"	18.033823
"1693181"	240.051423	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+NH4"	18.033823
"338908"	231.5381495	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+H+NH4"	19.041099
"732423"	342.5469495	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+H+NH4"	19.041099
"1486244"	120.5293495	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H+NH4"	19.041099
"403829"	467.024418	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+Na"	22.989218
"765918"	689.042018	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+Na"	22.989218
"1614016"	245.006818	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Na"	22.989218
"327335"	234.015847	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+H+Na"	23.996494
"721581"	345.024647	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+H+Na"	23.996494
"1473577"	123.007047	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H+Na"	23.996494
"1064636"	82.3404566666667	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2H+Na"	25.00377
"1269598"	255.051086	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+CH3OH+H"	33.033486
"387081"	482.998358	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+K"	38.963158
"749169"	705.015958	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+K"	38.963158
"1551225"	260.980758	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+K"	38.963158
"312775"	242.002817	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+H+K"	39.970434
"706295"	353.011617	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+H+K"	39.970434
"1460962"	130.994017	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H+K"	39.970434
"250901"	486.069026	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+ACN+H"	42.033826
"1223736"	264.051426	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+ACN+H"	42.033826
"1205310"	132.529351	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+ACN+2H"	43.041102
"200732"	489.00636	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+2Na-H"	44.97116
"641746"	711.02396	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+2Na-H"	44.97116
"1144525"	266.98876	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2Na-H"	44.97116
"184534"	245.006818	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+2Na"	45.978436
"620815"	356.015618	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+2Na"	45.978436
"1124315"	133.998018	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2Na"	45.978436
"1401278"	89.6677706666667	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H+2Na"	46.985712
"1436674"	269.030346	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H+HCOOH"	47.012746
"224548"	250.03984	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+3H2O+2H"	56.04448
"1516621"	283.08239	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+IsoProp+H"	61.06479
"410838"	252.993788	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+Na+K"	61.952376
"775120"	364.002588	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+Na+K"	61.952376
"1673642"	141.984988	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Na+K"	61.952376
"263080"	508.050968	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+ACN+Na"	64.015768
"1233968"	286.033368	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+ACN+Na"	64.015768
"1720666"	286.056893	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+NH4+HCOOH"	64.039293
"1186021"	96.9950846666667	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+3Na"	68.967654
"1657007"	291.012288	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Na+HCOOH"	68.994688
"166055"	520.95424	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+2K-H"	76.91904
"605616"	742.97184	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+2K-H"	76.91904
"1092314"	298.93664	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2K-H"	76.91904
"146945"	260.980758	"C16454"	"Radon-222"	"Rn"	"222.0176"	"2M+2K"	77.926316
"590878"	371.989558	"C16454"	"Radon-222"	"Rn"	"222.0176"	"3M+2K"	77.926316
"1074297"	149.971958	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2K"	77.926316
"1107505"	300.951192	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2K+H"	78.933592
"1343890"	301.038807	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+DMSO+H"	79.021207
"1011327"	305.077976	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2ACN+H"	83.060376
"1530547"	306.071608	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+IsoProp+Na+H"	84.054008
"999182"	153.042626	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+2ACN+2H"	84.067652
"1587168"	306.986228	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+K+HCOOH"	84.968628
"1415707"	337.017738	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+H+CF3COOH"	115.000138
"1152926"	173.555901	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+3ACN+2H"	125.094202
"1702479"	354.044285	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+NH4+CF3COOH"	132.026685
"1645784"	358.99968	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+Na+CF3COOH"	136.98208
"1573781"	374.97362	"C16454"	"Radon-222"	"Rn"	"222.0176"	"M+K+CF3COOH"	152.95602
"807430"	224.0202	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M"	0
"988621"	205.00181	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-H2O-H"	-19.01839
"77592"	148.339524	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M-3H"	-3.021828
"515329"	223.012924	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M-3H"	-3.021828
"886568"	73.666124	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-3H"	-3.021828
"7330"	223.012924	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M-2H"	-2.014552
"446890"	335.023024	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M-2H"	-2.014552
"827973"	111.002824	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-2H"	-2.014552
"91246"	447.033124	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M-H"	-1.007276
"530806"	671.053324	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M-H"	-1.007276
"907517"	223.012924	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-H"	-1.007276
"60434"	464.059671	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M-2H+NH4"	16.019271
"495986"	688.079871	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M-2H+NH4"	16.019271
"872694"	240.039471	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-2H+NH4"	16.019271
"45336"	469.015066	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M-2H+Na"	20.974666
"485264"	693.035266	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M-2H+Na"	20.974666
"861969"	244.994866	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-2H+Na"	20.974666
"1631140"	244.994866	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Na-2H"	20.974666
"107303"	241.001263	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M-H+Cl"	33.962126
"546503"	353.011363	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M-H+Cl"	33.962126
"937098"	128.991163	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-H+Cl"	33.962126
"275659"	483.009802	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+Cl"	34.969402
"671727"	707.030002	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+Cl"	34.969402
"1284130"	258.989602	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Cl"	34.969402
"29240"	484.989006	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M-2H+K"	36.948606
"466974"	709.009206	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M-2H+K"	36.948606
"845869"	260.968806	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-2H+K"	36.948606
"1567900"	260.968806	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+K-2H"	36.948606
"957729"	269.018394	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-H+HCOOH"	44.998194
"375453"	493.038601	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+HCOOH-H"	44.998201
"359701"	507.054251	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+Hac-H"	59.013851
"1507324"	283.034051	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Hac-H"	59.013851
"965868"	291.000351	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-H+NaCOOH"	66.980151
"116962"	258.989602	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+2Cl"	69.938804
"560898"	370.999702	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+2Cl"	69.938804
"1034073"	146.979502	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2Cl"	69.938804
"1254748"	302.939085	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Br"	78.918885
"1319519"	304.995072	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Cl+HCOOH"	80.974872
"1333969"	326.977029	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Cl+NaCOOH"	102.956829
"927062"	337.005786	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M-H+CF3COOH"	112.985586
"1303968"	372.982464	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Cl+CF3COOH"	148.962264
"1382216"	189.007524	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H-2H2O"	-35.012676
"1397769"	207.0175	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H-H2O"	-17.0027
"298384"	449.047676	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+H"	1.007276
"687316"	673.067876	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+H"	1.007276
"1363665"	225.027476	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H"	1.007276
"139107"	225.027476	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+2H"	2.014552
"579761"	337.037576	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+2H"	2.014552
"1050746"	113.017376	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2H"	2.014552
"217552"	150.354076	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+3H"	3.021828
"656022"	225.027476	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+3H"	3.021828
"1177428"	75.680676	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+3H"	3.021828
"435234"	466.074223	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+NH4"	18.033823
"795501"	690.094423	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+NH4"	18.033823
"1688552"	242.054023	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+NH4"	18.033823
"340113"	233.5407495	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+H+NH4"	19.041099
"733628"	345.5508495	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+H+NH4"	19.041099
"1489999"	121.5306495	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H+NH4"	19.041099
"408403"	471.029618	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+Na"	22.989218
"769070"	695.049818	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+Na"	22.989218
"1617980"	247.009418	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Na"	22.989218
"329842"	236.018447	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+H+Na"	23.996494
"720840"	348.028547	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+H+Na"	23.996494
"1476770"	124.008347	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H+Na"	23.996494
"1064747"	83.00799	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2H+Na"	25.00377
"1272465"	257.053686	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+CH3OH+H"	33.033486
"390469"	487.003558	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+K"	38.963158
"750375"	711.023758	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+K"	38.963158
"1555065"	262.983358	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+K"	38.963158
"314245"	244.005417	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+H+K"	39.970434
"706404"	356.015517	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+H+K"	39.970434
"1461295"	131.995317	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H+K"	39.970434
"248458"	490.074226	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+ACN+H"	42.033826
"1225301"	266.054026	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+ACN+H"	42.033826
"1205421"	133.530651	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+ACN+2H"	43.041102
"200477"	493.01156	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+2Na-H"	44.97116
"639674"	717.03176	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+2Na-H"	44.97116
"1145002"	268.99136	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2Na-H"	44.97116
"185737"	247.009418	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+2Na"	45.978436
"625297"	359.019518	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+2Na"	45.978436
"1127709"	134.999318	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2Na"	45.978436
"1411233"	90.335304	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H+2Na"	46.985712
"1438976"	271.032946	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H+HCOOH"	47.012746
"229764"	252.04244	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+3H2O+2H"	56.04448
"1521108"	285.08499	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+IsoProp+H"	61.06479
"412048"	254.996388	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+Na+K"	61.952376
"779605"	367.006488	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+Na+K"	61.952376
"1678859"	142.986288	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Na+K"	61.952376
"262461"	512.056168	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+ACN+Na"	64.015768
"1235173"	288.035968	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+ACN+Na"	64.015768
"1720779"	288.059493	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+NH4+HCOOH"	64.039293
"1190143"	97.662618	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+3Na"	68.967654
"1661493"	293.014888	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Na+HCOOH"	68.994688
"166167"	524.95944	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+2K-H"	76.91904
"606821"	748.97964	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+2K-H"	76.91904
"1094613"	300.93924	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2K-H"	76.91904
"150338"	262.983358	"C16455"	"Radium-224"	"Ra"	"224.0202"	"2M+2K"	77.926316
"587712"	374.993458	"C16455"	"Radium-224"	"Ra"	"224.0202"	"3M+2K"	77.926316
"1080971"	150.973258	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2K"	77.926316
"1106524"	302.953792	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2K+H"	78.933592
"1341816"	303.041407	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+DMSO+H"	79.021207
"1012531"	307.080576	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2ACN+H"	83.060376
"1533939"	308.074208	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+IsoProp+Na+H"	84.054008
"993461"	154.043926	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+2ACN+2H"	84.067652
"1592713"	308.988828	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+K+HCOOH"	84.968628
"1417277"	339.020338	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+H+CF3COOH"	115.000138
"1154128"	174.557201	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+3ACN+2H"	125.094202
"1704774"	356.046885	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+NH4+CF3COOH"	132.026685
"1642613"	361.00228	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+Na+CF3COOH"	136.98208
"1572798"	376.97622	"C16455"	"Radium-224"	"Ra"	"224.0202"	"M+K+CF3COOH"	152.95602
"807540"	226.0254	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M"	0
"989339"	207.00701	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-H2O-H"	-19.01839
"78311"	149.676324	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M-3H"	-3.021828
"514346"	225.018124	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M-3H"	-3.021828
"885584"	74.334524	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-3H"	-3.021828
"9626"	225.018124	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M-2H"	-2.014552
"450281"	338.030824	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M-2H"	-2.014552
"826990"	112.005424	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-2H"	-2.014552
"89169"	451.043524	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M-H"	-1.007276
"530917"	677.068924	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M-H"	-1.007276
"907627"	225.018124	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-H"	-1.007276
"61760"	468.070071	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M-2H+NH4"	16.019271
"498282"	694.095471	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M-2H+NH4"	16.019271
"879000"	242.044671	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-2H+NH4"	16.019271
"44357"	473.025466	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M-2H+Na"	20.974666
"485369"	699.050866	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M-2H+Na"	20.974666
"862808"	247.000066	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-2H+Na"	20.974666
"1630887"	247.000066	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Na-2H"	20.974666
"105226"	243.006463	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M-H+Cl"	33.962126
"543694"	356.019163	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M-H+Cl"	33.962126
"935022"	129.993763	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-H+Cl"	33.962126
"273579"	487.020202	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+Cl"	34.969402
"668187"	713.045602	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+Cl"	34.969402
"1276217"	260.994802	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Cl"	34.969402
"22054"	488.999406	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M-2H+K"	36.948606
"464897"	715.024806	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M-2H+K"	36.948606
"839418"	262.974006	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-2H+K"	36.948606
"1566916"	262.974006	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+K-2H"	36.948606
"955527"	271.023594	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-H+HCOOH"	44.998194
"374106"	497.049001	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+HCOOH-H"	44.998201
"359081"	511.064651	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+Hac-H"	59.013851
"1507795"	285.039251	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Hac-H"	59.013851
"969258"	293.005551	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-H+NaCOOH"	66.980151
"117072"	260.994802	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+2Cl"	69.938804
"558821"	374.007502	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+2Cl"	69.938804
"1033090"	147.982102	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2Cl"	69.938804
"1253765"	304.944285	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Br"	78.918885
"1319421"	307.000272	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Cl+HCOOH"	80.974872
"1333346"	328.982229	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Cl+NaCOOH"	102.956829
"926230"	339.010986	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M-H+CF3COOH"	112.985586
"1302208"	374.987664	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Cl+CF3COOH"	148.962264
"1382694"	191.012724	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H-2H2O"	-35.012676
"1397747"	209.0227	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H-H2O"	-17.0027
"297798"	453.058076	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+H"	1.007276
"690829"	679.083476	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+H"	1.007276
"1363773"	227.032676	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H"	1.007276
"136299"	227.032676	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+2H"	2.014552
"575129"	340.045376	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+2H"	2.014552
"1046479"	114.019976	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2H"	2.014552
"215840"	151.690876	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+3H"	3.021828
"655037"	227.032676	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+3H"	3.021828
"1171704"	76.349076	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+3H"	3.021828
"431332"	470.084623	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+NH4"	18.033823
"791235"	696.110023	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+NH4"	18.033823
"1685380"	244.059223	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+NH4"	18.033823
"330863"	235.5459495	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+H+NH4"	19.041099
"724988"	348.5586495	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+H+NH4"	19.041099
"1483181"	122.5332495	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H+NH4"	19.041099
"404779"	475.040018	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+Na"	22.989218
"763952"	701.065418	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+Na"	22.989218
"1617155"	249.014618	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Na"	22.989218
"328651"	238.023647	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+H+Na"	23.996494
"721437"	351.036347	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+H+Na"	23.996494
"1472705"	125.010947	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H+Na"	23.996494
"1063762"	83.67639	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2H+Na"	25.00377
"1266535"	259.058886	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+CH3OH+H"	33.033486
"388393"	491.013958	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+K"	38.963158
"752305"	717.039358	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+K"	38.963158
"1552539"	264.988558	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+K"	38.963158
"314180"	246.010617	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+H+K"	39.970434
"705417"	359.023317	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+H+K"	39.970434
"1461102"	132.997917	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H+K"	39.970434
"247838"	494.084626	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+ACN+H"	42.033826
"1222011"	268.059226	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+ACN+H"	42.033826
"1202248"	134.533251	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+ACN+2H"	43.041102
"199494"	497.02196	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+2Na-H"	44.97116
"637961"	723.04736	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+2Na-H"	44.97116
"1144381"	270.99656	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2Na-H"	44.97116
"179285"	249.014618	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+2Na"	45.978436
"621033"	362.027318	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+2Na"	45.978436
"1117978"	136.001918	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2Na"	45.978436
"1402596"	91.003704	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H+2Na"	46.985712
"1435807"	273.038146	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H+HCOOH"	47.012746
"227688"	254.04764	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+3H2O+2H"	56.04448
"1514656"	287.09019	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+IsoProp+H"	61.06479
"409970"	257.001588	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+Na+K"	61.952376
"775341"	370.014288	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+Na+K"	61.952376
"1679333"	143.988888	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Na+K"	61.952376
"261478"	516.066568	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+ACN+Na"	64.015768
"1233096"	290.041168	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+ACN+Na"	64.015768
"1725628"	290.064693	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+NH4+HCOOH"	64.039293
"1184057"	98.331018	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+3Na"	68.967654
"1657229"	295.020088	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Na+HCOOH"	68.994688
"166277"	528.96984	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+2K-H"	76.91904
"608024"	754.99524	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+2K-H"	76.91904
"1091443"	302.94444	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2K-H"	76.91904
"150448"	264.988558	"C16456"	"Radium-226"	"Ra"	"226.0254"	"2M+2K"	77.926316
"590009"	378.001258	"C16456"	"Radium-226"	"Ra"	"226.0254"	"3M+2K"	77.926316
"1075613"	151.975858	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2K"	77.926316
"1106633"	304.958992	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2K+H"	78.933592
"1339007"	305.046607	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+DMSO+H"	79.021207
"1008997"	309.085776	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2ACN+H"	83.060376
"1530769"	310.079408	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+IsoProp+Na+H"	84.054008
"993933"	155.046526	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+2ACN+2H"	84.067652
"1596103"	310.994028	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+K+HCOOH"	84.968628
"1419574"	341.025538	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+H+CF3COOH"	115.000138
"1158614"	175.559801	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+3ACN+2H"	125.094202
"1707070"	358.052085	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+NH4+CF3COOH"	132.026685
"1637254"	363.00748	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+Na+CF3COOH"	136.98208
"1574002"	378.98142	"C16456"	"Radium-226"	"Ra"	"226.0254"	"M+K+CF3COOH"	152.95602
"805463"	228.0311	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M"	0
"989832"	209.01271	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-H2O-H"	-19.01839
"78264"	151.013457333333	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M-3H"	-3.021828
"514456"	227.023824	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M-3H"	-3.021828
"885694"	75.0030906666667	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-3H"	-3.021828
"8642"	227.023824	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M-2H"	-2.014552
"450391"	341.039374	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M-2H"	-2.014552
"827100"	113.008274	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-2H"	-2.014552
"87093"	455.054924	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M-H"	-1.007276
"531027"	683.086024	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M-H"	-1.007276
"907737"	227.023824	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-H"	-1.007276
"61019"	472.081471	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M-2H+NH4"	16.019271
"498393"	700.112571	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M-2H+NH4"	16.019271
"877653"	244.050371	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-2H+NH4"	16.019271
"45560"	477.036866	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M-2H+Na"	20.974666
"484751"	705.067966	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M-2H+Na"	20.974666
"863283"	249.005766	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-2H+Na"	20.974666
"1631362"	249.005766	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Na-2H"	20.974666
"106429"	245.012163	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M-H+Cl"	33.962126
"542711"	359.027713	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M-H+Cl"	33.962126
"935132"	130.996613	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-H+Cl"	33.962126
"273687"	491.031602	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+Cl"	34.969402
"666107"	719.062702	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+Cl"	34.969402
"1278513"	263.000502	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Cl"	34.969402
"22162"	493.010806	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M-2H+K"	36.948606
"466100"	721.041906	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M-2H+K"	36.948606
"841714"	264.979706	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-2H+K"	36.948606
"1565202"	264.979706	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+K-2H"	36.948606
"954907"	273.029294	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-H+HCOOH"	44.998194
"373121"	501.060401	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+HCOOH-H"	44.998201
"354088"	515.076051	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+Hac-H"	59.013851
"1506202"	287.044951	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Hac-H"	59.013851
"966088"	295.011251	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-H+NaCOOH"	66.980151
"116089"	263.000502	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+2Cl"	69.938804
"560025"	377.016052	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+2Cl"	69.938804
"1033929"	148.984952	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2Cl"	69.938804
"1253875"	306.949985	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Br"	78.918885
"1319816"	309.005972	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Cl+HCOOH"	80.974872
"1333946"	330.987929	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Cl+NaCOOH"	102.956829
"926343"	341.016686	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M-H+CF3COOH"	112.985586
"1303905"	376.993364	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Cl+CF3COOH"	148.962264
"1382390"	193.018424	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H-2H2O"	-35.012676
"1397494"	211.0284	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H-H2O"	-17.0027
"297992"	457.069476	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+H"	1.007276
"690087"	685.100576	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+H"	1.007276
"1366071"	229.038376	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H"	1.007276
"138960"	229.038376	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+2H"	2.014552
"576697"	343.053926	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+2H"	2.014552
"1046226"	115.022826	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2H"	2.014552
"216315"	153.028009333333	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+3H"	3.021828
"655509"	229.038376	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+3H"	3.021828
"1173271"	77.0176426666667	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+3H"	3.021828
"429254"	474.096023	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+NH4"	18.033823
"788064"	702.127123	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+NH4"	18.033823
"1683303"	246.064923	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+NH4"	18.033823
"330281"	237.5516495	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+H+NH4"	19.041099
"725098"	351.5671995	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+H+NH4"	19.041099
"1478309"	123.5360995	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H+NH4"	19.041099
"396505"	479.051418	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+Na"	22.989218
"765155"	707.082518	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+Na"	22.989218
"1617631"	251.020318	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Na"	22.989218
"329368"	240.029347	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+H+Na"	23.996494
"719966"	354.044897	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+H+Na"	23.996494
"1472815"	126.013797	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H+Na"	23.996494
"1063872"	84.3449566666667	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2H+Na"	25.00377
"1265551"	261.064586	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+CH3OH+H"	33.033486
"387410"	495.025358	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+K"	38.963158
"751686"	723.056458	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+K"	38.963158
"1553742"	266.994258	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+K"	38.963158
"313108"	248.016317	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+H+K"	39.970434
"704434"	362.031867	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+H+K"	39.970434
"1460077"	134.000767	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H+K"	39.970434
"249041"	498.096026	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+ACN+H"	42.033826
"1222849"	270.064926	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+ACN+H"	42.033826
"1198713"	135.536101	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+ACN+2H"	43.041102
"199238"	501.03336	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+2Na-H"	44.97116
"639890"	729.06446	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+2Na-H"	44.97116
"1140480"	273.00226	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2Na-H"	44.97116
"174291"	251.020318	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+2Na"	45.978436
"615676"	365.035868	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+2Na"	45.978436
"1115900"	137.004768	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2Na"	45.978436
"1398485"	91.6722706666667	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H+2Na"	46.985712
"1435187"	275.043846	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H+HCOOH"	47.012746
"223424"	256.05334	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+3H2O+2H"	56.04448
"1511486"	289.09589	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+IsoProp+H"	61.06479
"408986"	259.007288	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+Na+K"	61.952376
"773628"	373.022838	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+Na+K"	61.952376
"1676891"	144.991738	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Na+K"	61.952376
"261588"	520.077968	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+ACN+Na"	64.015768
"1233205"	292.046868	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+ACN+Na"	64.015768
"1722092"	292.070393	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+NH4+HCOOH"	64.039293
"1185259"	98.9995846666667	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+3Na"	68.967654
"1658432"	297.025788	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Na+HCOOH"	68.994688
"165293"	532.98124	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+2K-H"	76.91904
"605947"	761.01234	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+2K-H"	76.91904
"1091553"	304.95014	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2K-H"	76.91904
"149463"	266.994258	"C16457"	"Radium-228"	"Ra"	"228.0311"	"2M+2K"	77.926316
"586838"	381.009808	"C16457"	"Radium-228"	"Ra"	"228.0311"	"3M+2K"	77.926316
"1076816"	152.978708	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2K"	77.926316
"1104557"	306.964692	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2K+H"	78.933592
"1339481"	307.052307	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+DMSO+H"	79.021207
"1009471"	311.091476	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2ACN+H"	83.060376
"1528691"	312.085108	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+IsoProp+Na+H"	84.054008
"993314"	156.049376	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+2ACN+2H"	84.067652
"1597306"	312.999728	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+K+HCOOH"	84.968628
"1420777"	343.031238	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+H+CF3COOH"	115.000138
"1158724"	176.562651	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+3ACN+2H"	125.094202
"1708273"	360.057785	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+NH4+CF3COOH"	132.026685
"1637364"	365.01318	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+Na+CF3COOH"	136.98208
"1574112"	380.98712	"C16457"	"Radium-228"	"Ra"	"228.0311"	"M+K+CF3COOH"	152.95602
"814321"	59.9668	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M"	0
"984575"	40.94841	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-H2O-H"	-19.01839
"76099"	38.9705906666667	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M-3H"	-3.021828
"517481"	58.959524	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M-3H"	-3.021828
"887994"	18.9816573333333	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-3H"	-3.021828
"6568"	58.959524	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M-2H"	-2.014552
"443944"	88.942924	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M-2H"	-2.014552
"821746"	28.976124	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-2H"	-2.014552
"89757"	118.926324	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M-H"	-1.007276
"527858"	178.893124	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M-H"	-1.007276
"904568"	58.959524	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-H"	-1.007276
"55664"	135.952871	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M-2H+NH4"	16.019271
"499235"	195.919671	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M-2H+NH4"	16.019271
"874120"	75.986071	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-2H+NH4"	16.019271
"45671"	140.908266	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M-2H+Na"	20.974666
"484135"	200.875066	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M-2H+Na"	20.974666
"861939"	80.941466	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-2H+Na"	20.974666
"1628921"	80.941466	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Na-2H"	20.974666
"103262"	76.947863	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M-H+Cl"	33.962126
"540634"	106.931263	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M-H+Cl"	33.962126
"931961"	46.964463	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-H+Cl"	33.962126
"275984"	154.903002	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+Cl"	34.969402
"669500"	214.869802	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+Cl"	34.969402
"1277530"	94.936202	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Cl"	34.969402
"27013"	156.882206	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M-2H+K"	36.948606
"459646"	216.849006	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M-2H+K"	36.948606
"845102"	96.915406	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-2H+K"	36.948606
"1565312"	96.915406	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+K-2H"	36.948606
"954286"	104.964994	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-H+HCOOH"	44.998194
"373961"	164.931801	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+HCOOH-H"	44.998201
"359303"	178.947451	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+Hac-H"	59.013851
"1503032"	118.980651	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Hac-H"	59.013851
"965102"	126.946951	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-H+NaCOOH"	66.980151
"116199"	94.936202	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+2Cl"	69.938804
"555761"	124.919602	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+2Cl"	69.938804
"1032218"	64.952802	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2Cl"	69.938804
"1255811"	138.885685	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Br"	78.918885
"1319237"	140.941672	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Cl+HCOOH"	80.974872
"1333570"	162.923629	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Cl+NaCOOH"	102.956829
"925599"	172.952386	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M-H+CF3COOH"	112.985586
"1303037"	208.929064	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Cl+CF3COOH"	148.962264
"1382054"	24.954124	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H-2H2O"	-35.012676
"1394444"	42.9641	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H-H2O"	-17.0027
"298020"	120.940876	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+H"	1.007276
"690198"	180.907676	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+H"	1.007276
"1359254"	60.974076	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H"	1.007276
"136154"	60.974076	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+2H"	2.014552
"574621"	90.957476	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+2H"	2.014552
"1052293"	30.990676	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2H"	2.014552
"216789"	40.9851426666667	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+3H"	3.021828
"654528"	60.974076	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+3H"	3.021828
"1173749"	20.9962093333333	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+3H"	3.021828
"431554"	137.967423	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+NH4"	18.033823
"787084"	197.934223	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+NH4"	18.033823
"1685603"	78.000623	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+NH4"	18.033823
"338256"	69.4873495	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+H+NH4"	19.041099
"731770"	99.4707495	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+H+NH4"	19.041099
"1488872"	39.5039495	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H+NH4"	19.041099
"405730"	142.922818	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+Na"	22.989218
"769277"	202.889618	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+Na"	22.989218
"1615917"	82.956018	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Na"	22.989218
"329804"	71.965047	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+H+Na"	23.996494
"719103"	101.948447	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+H+Na"	23.996494
"1475111"	41.981647	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H+Na"	23.996494
"1063984"	28.3235233333333	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2H+Na"	25.00377
"1266762"	93.000286	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+CH3OH+H"	33.033486
"387520"	158.896758	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+K"	38.963158
"749613"	218.863558	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+K"	38.963158
"1553851"	98.929958	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+K"	38.963158
"311028"	79.952017	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+H+K"	39.970434
"703450"	109.935417	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+H+K"	39.970434
"1460310"	49.968617	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H+K"	39.970434
"249879"	161.967426	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+ACN+H"	42.033826
"1224049"	102.000626	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+ACN+H"	42.033826
"1202470"	51.503951	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+ACN+2H"	43.041102
"198621"	164.90476	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+2Na-H"	44.97116
"638178"	224.87156	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+2Na-H"	44.97116
"1140590"	104.93796	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2Na-H"	44.97116
"175130"	82.956018	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+2Na"	45.978436
"617973"	112.939418	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+2Na"	45.978436
"1116495"	52.972618	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2Na"	45.978436
"1399412"	35.6508373333333	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H+2Na"	46.985712
"1432380"	106.979546	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H+HCOOH"	47.012746
"223534"	87.98904	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+3H2O+2H"	56.04448
"1511597"	121.03159	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+IsoProp+H"	61.06479
"420036"	90.942988	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+Na+K"	61.952376
"781397"	120.926388	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+Na+K"	61.952376
"1678462"	60.959588	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Na+K"	61.952376
"259517"	183.949368	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+ACN+Na"	64.015768
"1235507"	123.982568	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+ACN+Na"	64.015768
"1722206"	124.006093	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+NH4+HCOOH"	64.039293
"1189747"	42.9781513333333	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+3Na"	68.967654
"1654170"	128.961488	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Na+HCOOH"	68.994688
"163218"	196.85264	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+2K-H"	76.91904
"602778"	256.81944	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+2K-H"	76.91904
"1092757"	136.88584	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2K-H"	76.91904
"146294"	98.929958	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"2M+2K"	77.926316
"590228"	128.913358	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"3M+2K"	77.926316
"1076927"	68.946558	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2K"	77.926316
"1106855"	138.900392	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2K+H"	78.933592
"1337044"	138.988007	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+DMSO+H"	79.021207
"1010677"	143.027176	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2ACN+H"	83.060376
"1529895"	144.020808	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+IsoProp+Na+H"	84.054008
"995256"	72.017226	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+2ACN+2H"	84.067652
"1594136"	144.935428	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+K+HCOOH"	84.968628
"1421985"	174.966938	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+H+CF3COOH"	115.000138
"1150086"	92.530501	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+3ACN+2H"	125.094202
"1700732"	191.993485	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+NH4+CF3COOH"	132.026685
"1642944"	196.94888	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+Na+CF3COOH"	136.98208
"1580784"	212.92282	"C16459"	"Crystalline silica;Quartz"	"SiO2"	"59.9668"	"M+K+CF3COOH"	152.95602
"813338"	9.0122	"C16460"	"Beryllium"	"Be"	"9.0122"	"M"	0
"981405"	-10.00619	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-H2O-H"	-19.01839
"74023"	5.00085733333333	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M-3H"	-3.021828
"514675"	8.004924	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M-3H"	-3.021828
"885916"	1.99679066666667	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-3H"	-3.021828
"4490"	8.004924	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M-2H"	-2.014552
"445143"	12.511024	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M-2H"	-2.014552
"821124"	3.498824	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-2H"	-2.014552
"85127"	17.017124	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M-H"	-1.007276
"524690"	26.029324	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M-H"	-1.007276
"905772"	8.004924	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-H"	-1.007276
"58691"	34.043671	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M-2H+NH4"	16.019271
"498982"	43.055871	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M-2H+NH4"	16.019271
"876052"	25.031471	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-2H+NH4"	16.019271
"42859"	38.999066	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M-2H+Na"	20.974666
"482785"	48.011266	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M-2H+Na"	20.974666
"859497"	29.986866	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-2H+Na"	20.974666
"1629028"	29.986866	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Na-2H"	20.974666
"104101"	25.993263	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M-H+Cl"	33.962126
"542931"	30.499363	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M-H+Cl"	33.962126
"930978"	21.487163	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-H+Cl"	33.962126
"273908"	52.993802	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+Cl"	34.969402
"669609"	62.006002	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+Cl"	34.969402
"1278733"	43.981602	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Cl"	34.969402
"19102"	54.973006	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M-2H+K"	36.948606
"461942"	63.985206	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M-2H+K"	36.948606
"841931"	45.960806	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-2H+K"	36.948606
"1567605"	45.960806	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+K-2H"	36.948606
"955126"	54.010394	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-H+HCOOH"	44.998194
"372614"	63.022601	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+HCOOH-H"	44.998201
"357593"	77.038251	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+Hac-H"	59.013851
"1505334"	68.026051	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Hac-H"	59.013851
"971784"	75.992351	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-H+NaCOOH"	66.980151
"121777"	43.981602	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+2Cl"	69.938804
"559151"	48.487702	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+2Cl"	69.938804
"1032693"	39.475502	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2Cl"	69.938804
"1254462"	87.931085	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Br"	78.918885
"1319714"	89.987072	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Cl+HCOOH"	80.974872
"1333923"	111.969029	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Cl+NaCOOH"	102.956829
"926201"	121.997786	"C16460"	"Beryllium"	"Be"	"9.0122"	"M-H+CF3COOH"	112.985586
"1303513"	157.974464	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Cl+CF3COOH"	148.962264
"1382361"	-26.000476	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H-2H2O"	-35.012676
"1397106"	-7.9905	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H-H2O"	-17.0027
"298134"	19.031676	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+H"	1.007276
"687026"	28.043876	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+H"	1.007276
"1360094"	10.019476	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H"	1.007276
"135900"	10.019476	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+2H"	2.014552
"575825"	14.525576	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+2H"	2.014552
"1051916"	5.513376	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2H"	2.014552
"216900"	7.01540933333333	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+3H"	3.021828
"658649"	10.019476	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+3H"	3.021828
"1176775"	4.01134266666667	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+3H"	3.021828
"433851"	36.058223	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+NH4"	18.033823
"788286"	45.070423	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+NH4"	18.033823
"1687900"	27.046023	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+NH4"	18.033823
"338366"	18.5327495	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+H+NH4"	19.041099
"731880"	23.0388495	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+H+NH4"	19.041099
"1490075"	14.0266495	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H+NH4"	19.041099
"408196"	41.013618	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+Na"	22.989218
"769151"	50.025818	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+Na"	22.989218
"1618335"	32.001418	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Na"	22.989218
"327888"	21.010447	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+H+Na"	23.996494
"722254"	25.516547	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+H+Na"	23.996494
"1476807"	16.504347	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H+Na"	23.996494
"1067376"	11.3386566666667	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2H+Na"	25.00377
"1271897"	42.045686	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+CH3OH+H"	33.033486
"387630"	56.987558	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+K"	38.963158
"749723"	65.999758	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+K"	38.963158
"1552869"	47.975358	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+K"	38.963158
"312964"	28.997417	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+H+K"	39.970434
"706236"	33.503517	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+H+K"	39.970434
"1459569"	24.491317	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H+K"	39.970434
"248171"	60.058226	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+ACN+H"	42.033826
"1222707"	51.046026	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+ACN+H"	42.033826
"1204764"	26.026651	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+ACN+2H"	43.041102
"200917"	62.99556	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+2Na-H"	44.97116
"641204"	72.00776	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+2Na-H"	44.97116
"1138514"	53.98336	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2Na-H"	44.97116
"180708"	32.001418	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+2Na"	45.978436
"623550"	36.507518	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+2Na"	45.978436
"1116605"	27.495318	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2Na"	45.978436
"1400010"	18.6659706666667	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H+2Na"	46.985712
"1432855"	56.024946	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H+HCOOH"	47.012746
"224739"	37.03444	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+3H2O+2H"	56.04448
"1513896"	70.07699	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+IsoProp+H"	61.06479
"416137"	39.988388	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+Na+K"	61.952376
"779320"	44.494488	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+Na+K"	61.952376
"1678572"	35.482288	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Na+K"	61.952376
"260718"	82.040168	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+ACN+Na"	64.015768
"1237803"	73.027968	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+ACN+Na"	64.015768
"1724503"	73.051493	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+NH4+HCOOH"	64.039293
"1189857"	25.9932846666667	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+3Na"	68.967654
"1656467"	78.006888	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Na+HCOOH"	68.994688
"165514"	94.94344	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+2K-H"	76.91904
"605074"	103.95564	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+2K-H"	76.91904
"1089588"	85.93124	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2K-H"	76.91904
"144218"	47.975358	"C16460"	"Beryllium"	"Be"	"9.0122"	"2M+2K"	77.926316
"585965"	52.481458	"C16460"	"Beryllium"	"Be"	"9.0122"	"3M+2K"	77.926316
"1074851"	43.469258	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2K"	77.926316
"1105871"	87.945792	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2K+H"	78.933592
"1340070"	88.033407	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+DMSO+H"	79.021207
"1009694"	92.072576	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2ACN+H"	83.060376
"1528912"	93.066208	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+IsoProp+Na+H"	84.054008
"995366"	46.539926	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+2ACN+2H"	84.067652
"1595340"	93.980828	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+K+HCOOH"	84.968628
"1421001"	124.012338	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+H+CF3COOH"	115.000138
"1148008"	67.053201	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+3ACN+2H"	125.094202
"1701936"	141.038885	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+NH4+CF3COOH"	132.026685
"1643054"	145.99428	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+Na+CF3COOH"	136.98208
"1580894"	161.96822	"C16460"	"Beryllium"	"Be"	"9.0122"	"M+K+CF3COOH"	152.95602
"813448"	168.115	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M"	0
"981515"	149.09661	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"73040"	111.069390666667	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"514785"	167.107724	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"887120"	55.0310573333333	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"1319"	167.107724	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"441973"	251.165224	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"820870"	83.050224	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"84144"	335.222724	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"521519"	503.337724	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"901509"	167.107724	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"54790"	352.249271	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"497634"	520.364271	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"876526"	184.134271	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"42969"	357.204666	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"483623"	525.319666	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"860696"	189.089666	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1628047"	189.089666	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"104575"	185.096063	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"545227"	269.153563	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"933275"	101.038563	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"276205"	371.199402	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"669719"	539.314402	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1276656"	203.084402	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"18118"	373.178606	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"458771"	541.293606	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"836574"	205.063606	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1566621"	205.063606	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"956328"	213.113194	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"372724"	381.228201	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"357703"	395.243851	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1506172"	227.128851	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"971894"	235.095151	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"122616"	203.084402	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"559260"	287.141902	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1031341"	119.026902	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1254936"	247.033885	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1318602"	249.089872	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1332694"	271.071829	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"924116"	281.100586	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1299368"	317.077264	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1378258"	133.102324	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1391748"	151.1123	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"296536"	337.237276	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"685677"	505.352276	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1357287"	169.122276	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H"	1.007276
"133457"	169.122276	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"573017"	253.179776	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1047287"	85.064776	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"215187"	113.083942666667	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"652561"	169.122276	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1177250"	57.0456093333333	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"437241"	354.263823	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"790581"	522.378823	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1684725"	186.148823	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"333370"	177.6355495	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"725426"	261.6930495	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1489821"	93.5780495	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"407773"	359.219218	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"769380"	527.334218	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1618387"	191.104218	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"327998"	180.113247	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"721513"	264.170747	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1476915"	96.055747	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1064206"	64.3729233333333	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1266979"	201.148486	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"384460"	375.193158	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"750926"	543.308158	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1552978"	207.078158	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+K"	38.963158
"311981"	188.100217	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"703670"	272.157717	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1458584"	104.042717	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"246094"	378.263826	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1219898"	210.148826	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1205966"	105.578051	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"197746"	381.20116	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"637305"	549.31616	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1140809"	213.08616	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"179726"	191.104218	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"617100"	275.161718	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1120605"	107.046718	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1400362"	71.7002373333333	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1432600"	215.127746	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"224849"	196.13724	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1514006"	229.17979	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"414788"	199.091188	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"779794"	283.148688	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1677589"	115.033688	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"260828"	400.245768	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1236820"	232.130768	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1726799"	232.154293	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1186687"	79.0275513333333	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1653297"	237.109688	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"162343"	413.14904	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"602997"	581.26404	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1089698"	245.03404	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"143961"	207.078158	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"584980"	291.135658	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1072773"	123.020658	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1105981"	247.048592	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1337994"	247.136207	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1006887"	251.175376	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1529023"	252.169008	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"992186"	126.091326	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1592170"	253.083628	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1421111"	283.115138	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1148482"	146.604601	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1700951"	300.141685	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1643164"	305.09708	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1581004"	321.07102	"C16461"	"Geranic acid;37-Dimethylocta-26-dienoate;Geranate"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"813558"	170.1307	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M"	0
"989038"	151.11231	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"73150"	112.413190666667	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"509430"	169.123424	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"881764"	55.7029573333333	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"1433"	169.123424	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"443180"	254.188774	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"825355"	84.058074	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"84255"	339.254124	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"520170"	509.384824	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"903806"	169.123424	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"59275"	356.280671	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"501752"	526.411371	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"875543"	186.149971	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"42350"	361.236066	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"482640"	531.366766	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"859713"	191.105366	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1630343"	191.105366	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"101406"	187.111763	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"545337"	272.177113	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"935572"	102.046413	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"275222"	375.230802	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"668737"	545.361502	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1278953"	205.100102	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"17256"	377.210006	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"458881"	547.340706	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"836684"	207.079306	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1565639"	207.079306	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"954617"	215.128894	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"367367"	385.259601	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"356718"	399.275251	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1505917"	229.144551	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"972369"	237.110851	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"123092"	205.100102	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"558277"	290.165452	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1029629"	120.034752	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1255536"	249.049585	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1318226"	251.105572	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1333172"	273.087529	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"924959"	283.116286	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1302030"	319.092964	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1381652"	135.118024	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1391858"	153.128	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"295188"	341.268676	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"685787"	511.399376	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1359220"	171.137976	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"133932"	171.137976	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"577502"	256.203326	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1045211"	86.072626	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"210561"	114.427742666667	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"649391"	171.137976	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1171893"	57.7175093333333	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"434071"	358.295223	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"797253"	528.425923	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1683742"	188.164523	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"331169"	179.6512495	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"722981"	264.7165995	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1487014"	94.5858995	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"396946"	363.250618	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"767785"	533.381318	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1617709"	193.119918	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"327015"	182.128947	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"717249"	267.194297	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1474350"	97.063597	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1064316"	65.0448233333333	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1268182"	203.164186	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"386758"	379.224558	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"753225"	549.355258	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1553088"	209.093858	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"311726"	190.115917	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"704873"	275.181267	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1456505"	105.050567	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"247295"	382.295226	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1220008"	212.164526	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1203891"	106.585901	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"198949"	385.23256	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"637416"	555.36326	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1135451"	215.10186	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"177650"	193.119918	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"615265"	278.185268	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1118529"	108.054568	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1400229"	72.3721373333333	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1431616"	217.143446	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"222043"	198.15294	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1514480"	231.19549	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"417086"	201.106888	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"782093"	286.172238	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1680735"	116.041538	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"264220"	404.277168	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1235836"	234.146468	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1720712"	234.169993	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1186797"	79.6994513333333	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1650856"	239.125388	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"158446"	417.18044	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"602014"	587.31114	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1088715"	247.04974	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"146626"	209.093858	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"584000"	294.159208	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1073978"	124.028508	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1106092"	249.064292	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1341384"	249.151907	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1007728"	253.191076	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1528040"	254.184708	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"991203"	127.099176	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1595560"	255.099328	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1422315"	285.130838	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1147984"	147.612451	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1703248"	302.157385	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1637806"	307.11278	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1581114"	323.08672	"C16462"	"Citronellate;Citronellic acid;37-Dimethyl-6-octenoic acid"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"816104"	690.0949	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M"	0
"989395"	671.07651	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-H2O-H"	-19.01839
"76541"	459.055990666667	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M-3H"	-3.021828
"518048"	689.087624	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M-3H"	-3.021828
"891713"	229.024357333333	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-3H"	-3.021828
"13570"	689.087624	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M-2H"	-2.014552
"452038"	1034.135074	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M-2H"	-2.014552
"827653"	344.040174	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-2H"	-2.014552
"91654"	1379.182524	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M-H"	-1.007276
"529394"	2069.277424	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M-H"	-1.007276
"905009"	689.087624	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-H"	-1.007276
"55009"	1396.209071	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M-2H+NH4"	16.019271
"497851"	2086.303971	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M-2H+NH4"	16.019271
"870184"	706.114171	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-2H+NH4"	16.019271
"43190"	1401.164466	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M-2H+Na"	20.974666
"486155"	2091.259366	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M-2H+Na"	20.974666
"861646"	711.069566	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-2H+Na"	20.974666
"1629358"	711.069566	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Na-2H"	20.974666
"106984"	707.075963	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M-H+Cl"	33.962126
"539983"	1052.123413	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M-H+Cl"	33.962126
"937504"	362.028513	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-H+Cl"	33.962126
"278978"	1415.159202	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+Cl"	34.969402
"670670"	2105.254102	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+Cl"	34.969402
"1281253"	725.064302	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Cl"	34.969402
"25630"	1417.138406	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M-2H+K"	36.948606
"463369"	2107.233306	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M-2H+K"	36.948606
"841169"	727.043506	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-2H+K"	36.948606
"1562473"	727.043506	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+K-2H"	36.948606
"950354"	735.093094	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-H+HCOOH"	44.998194
"371851"	1425.188001	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+HCOOH-H"	44.998201
"359016"	1439.203651	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+Hac-H"	59.013851
"1506391"	749.108751	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Hac-H"	59.013851
"965545"	757.075051	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-H+NaCOOH"	66.980151
"115546"	725.064302	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+2Cl"	69.938804
"559483"	1070.111752	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+2Cl"	69.938804
"1032296"	380.016852	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2Cl"	69.938804
"1253700"	769.013785	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Br"	78.918885
"1317970"	771.069772	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Cl+HCOOH"	80.974872
"1331092"	793.051729	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Cl+NaCOOH"	102.956829
"925800"	803.080486	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M-H+CF3COOH"	112.985586
"1294484"	839.057164	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Cl+CF3COOH"	148.962264
"1379210"	655.082224	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H-2H2O"	-35.012676
"1389052"	673.0922	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H-H2O"	-17.0027
"292746"	1381.197076	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+H"	1.007276
"688813"	2071.291976	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+H"	1.007276
"1362246"	691.102176	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H"	1.007276
"136958"	691.102176	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+2H"	2.014552
"575061"	1036.149626	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+2H"	2.014552
"1044226"	346.054726	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2H"	2.014552
"213222"	461.070542666667	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+3H"	3.021828
"651689"	691.102176	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+3H"	3.021828
"1168721"	231.038909333333	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+3H"	3.021828
"430900"	1398.223623	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+NH4"	18.033823
"785656"	2088.318523	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+NH4"	18.033823
"1681331"	708.128723	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+NH4"	18.033823
"333224"	699.6154495	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+H+NH4"	19.041099
"724552"	1044.6628995	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+H+NH4"	19.041099
"1477522"	354.5679995	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H+NH4"	19.041099
"403620"	1403.179018	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+Na"	22.989218
"764615"	2093.273918	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+Na"	22.989218
"1617943"	713.084118	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Na"	22.989218
"328584"	702.093147	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+H+Na"	23.996494
"712985"	1047.140597	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+H+Na"	23.996494
"1471181"	357.045697	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H+Na"	23.996494
"1063333"	238.366223333333	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2H+Na"	25.00377
"1267199"	723.128386	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+CH3OH+H"	33.033486
"389055"	1419.152958	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+K"	38.963158
"751144"	2109.247858	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+K"	38.963158
"1553563"	729.058058	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+K"	38.963158
"313294"	710.080117	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+H+K"	39.970434
"704623"	1055.127567	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+H+K"	39.970434
"1458439"	365.032667	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H+K"	39.970434
"247042"	1422.223626	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+ACN+H"	42.033826
"1222303"	732.128726	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+ACN+H"	42.033826
"1204001"	366.568001	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+ACN+2H"	43.041102
"194681"	1425.16096	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+2Na-H"	44.97116
"637523"	2115.25586	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+2Na-H"	44.97116
"1131373"	735.06606	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2Na-H"	44.97116
"174842"	713.084118	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+2Na"	45.978436
"613346"	1058.131568	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+2Na"	45.978436
"1119732"	368.036668	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2Na"	45.978436
"1400827"	245.693537333333	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H+2Na"	46.985712
"1430633"	737.107646	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H+HCOOH"	47.012746
"228352"	718.11714	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+3H2O+2H"	56.04448
"1523589"	751.15969	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+IsoProp+H"	61.06479
"419384"	721.071088	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+Na+K"	61.952376
"780384"	1066.118538	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+Na+K"	61.952376
"1676717"	376.023638	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Na+K"	61.952376
"263236"	1444.205568	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+ACN+Na"	64.015768
"1235946"	754.110668	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+ACN+Na"	64.015768
"1723739"	754.134193	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+NH4+HCOOH"	64.039293
"1189093"	253.020851333333	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+3Na"	68.967654
"1653517"	759.089588	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Na+HCOOH"	68.994688
"163656"	1457.10884	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+2K-H"	76.91904
"601032"	2147.20374	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+2K-H"	76.91904
"1089917"	767.01394	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2K-H"	76.91904
"147830"	729.058058	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"2M+2K"	77.926316
"590670"	1074.105508	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"3M+2K"	77.926316
"1070810"	384.010608	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2K"	77.926316
"1110576"	769.028492	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2K+H"	78.933592
"1339307"	769.116107	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+DMSO+H"	79.021207
"1008931"	773.155276	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2ACN+H"	83.060376
"1524873"	774.148908	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+IsoProp+Na+H"	84.054008
"992419"	387.081276	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+2ACN+2H"	84.067652
"1593483"	775.063528	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+K+HCOOH"	84.968628
"1424611"	805.095038	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+H+CF3COOH"	115.000138
"1160367"	407.594551	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+3ACN+2H"	125.094202
"1705545"	822.121585	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+NH4+CF3COOH"	132.026685
"1636822"	827.07698	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+Na+CF3COOH"	136.98208
"1581224"	843.05092	"C16463"	"35-Cyclic diGMP;cdiGMP;35-Cyclic diguanylic acid;Bis-(35)-cyclic diGMP;Cyclic di-35-guanylate"	"C20H24N10O14P2"	"690.0949"	"M+K+CF3COOH"	152.95602
"816334"	919.2353	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M"	0
"989503"	900.21691	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H2O-H"	-19.01839
"76649"	611.816257333333	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-3H"	-3.021828
"515118"	918.228024	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-3H"	-3.021828
"891823"	305.404490666667	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-3H"	-3.021828
"7120"	918.228024	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H"	-2.014552
"450690"	1377.845674	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H"	-2.014552
"827763"	458.610374	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H"	-2.014552
"90671"	1837.463324	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-H"	-1.007276
"529503"	2756.698624	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-H"	-1.007276
"904026"	918.228024	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H"	-1.007276
"55119"	1854.489871	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H+NH4"	16.019271
"494680"	2773.725171	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H+NH4"	16.019271
"871386"	935.254571	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H+NH4"	16.019271
"40382"	1859.445266	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H+Na"	20.974666
"484684"	2778.680566	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H+Na"	20.974666
"861756"	940.209966	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H+Na"	20.974666
"1629468"	940.209966	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na-2H"	20.974666
"103812"	936.216363	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-H+Cl"	33.962126
"541186"	1395.834013	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-H+Cl"	33.962126
"938707"	476.598713	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+Cl"	33.962126
"277266"	1873.440002	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Cl"	34.969402
"671874"	2792.675302	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+Cl"	34.969402
"1282455"	954.204702	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl"	34.969402
"22823"	1875.419206	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M-2H+K"	36.948606
"463478"	2794.654506	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M-2H+K"	36.948606
"839092"	956.183906	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-2H+K"	36.948606
"1564768"	956.183906	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K-2H"	36.948606
"951558"	964.233494	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+HCOOH"	44.998194
"373784"	1883.468801	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+HCOOH-H"	44.998201
"360949"	1897.484451	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Hac-H"	59.013851
"1506503"	978.249151	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Hac-H"	59.013851
"967843"	986.215451	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+NaCOOH"	66.980151
"121123"	954.204702	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2Cl"	69.938804
"558501"	1413.822352	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2Cl"	69.938804
"1029490"	494.587052	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2Cl"	69.938804
"1253812"	998.154185	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Br"	78.918885
"1313706"	1000.210172	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl+HCOOH"	80.974872
"1330108"	1022.192129	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl+NaCOOH"	102.956829
"924814"	1032.220886	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M-H+CF3COOH"	112.985586
"1301520"	1068.197564	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Cl+CF3COOH"	148.962264
"1372760"	884.222624	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H-2H2O"	-35.012676
"1389162"	902.2326	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H-H2O"	-17.0027
"293220"	1839.477876	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H"	1.007276
"690017"	2758.713176	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H"	1.007276
"1364544"	920.242576	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H"	1.007276
"139619"	920.242576	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2H"	2.014552
"577358"	1379.860226	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2H"	2.014552
"1046523"	460.624926	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2H"	2.014552
"214425"	613.830809333333	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+3H"	3.021828
"652892"	920.242576	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+3H"	3.021828
"1168831"	307.419042666667	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+3H"	3.021828
"428822"	1856.504423	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+NH4"	18.033823
"786414"	2775.739723	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+NH4"	18.033823
"1682014"	937.269123	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+NH4"	18.033823
"333334"	928.7558495	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H+NH4"	19.041099
"725756"	1388.3734995	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H+NH4"	19.041099
"1478604"	469.1381995	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+NH4"	19.041099
"398258"	1861.459818	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Na"	22.989218
"767640"	2780.695118	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+Na"	22.989218
"1613917"	942.224518	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na"	22.989218
"328573"	931.233547	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H+Na"	23.996494
"715282"	1390.851197	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H+Na"	23.996494
"1471291"	471.615897	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+Na"	23.996494
"1062350"	314.746356666667	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2H+Na"	25.00377
"1265122"	952.268786	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+CH3OH+H"	33.033486
"388072"	1877.433758	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+K"	38.963158
"750161"	2796.669058	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+K"	38.963158
"1552215"	958.198458	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K"	38.963158
"313531"	939.220517	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+H+K"	39.970434
"704005"	1398.838167	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+H+K"	39.970434
"1459280"	479.602867	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+K"	39.970434
"248975"	1880.504426	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+ACN+H"	42.033826
"1222047"	961.269126	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+ACN+H"	42.033826
"1203018"	481.138201	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+ACN+2H"	43.041102
"194791"	1883.44176	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2Na-H"	44.97116
"637633"	2802.67706	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2Na-H"	44.97116
"1131421"	964.20646	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2Na-H"	44.97116
"177869"	942.224518	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2Na"	45.978436
"613336"	1401.842168	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2Na"	45.978436
"1115825"	482.606868	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2Na"	45.978436
"1399723"	322.073670666667	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+2Na"	46.985712
"1430129"	966.248046	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+HCOOH"	47.012746
"228462"	947.25754	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+3H2O+2H"	56.04448
"1522485"	980.30009	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+IsoProp+H"	61.06479
"420587"	950.211488	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+Na+K"	61.952376
"779396"	1409.829138	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+Na+K"	61.952376
"1676827"	490.593838	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na+K"	61.952376
"262252"	1902.486368	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+ACN+Na"	64.015768
"1238242"	983.251068	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+ACN+Na"	64.015768
"1722026"	983.274593	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+NH4+HCOOH"	64.039293
"1190295"	329.400984666667	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+3Na"	68.967654
"1660187"	988.229988	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na+HCOOH"	68.994688
"164859"	1915.38964	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2K-H"	76.91904
"604422"	2834.62494	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2K-H"	76.91904
"1093308"	996.15434	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2K-H"	76.91904
"142958"	958.198458	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"2M+2K"	77.926316
"589686"	1417.816108	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"3M+2K"	77.926316
"1070920"	498.580808	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2K"	77.926316
"1106310"	998.168892	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2K+H"	78.933592
"1340509"	998.256507	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+DMSO+H"	79.021207
"1007947"	1002.295676	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2ACN+H"	83.060376
"1524983"	1003.289308	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+IsoProp+Na+H"	84.054008
"992529"	501.651476	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+2ACN+2H"	84.067652
"1592500"	1004.203928	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K+HCOOH"	84.968628
"1423628"	1034.235438	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+H+CF3COOH"	115.000138
"1157197"	522.164751	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+3ACN+2H"	125.094202
"1703468"	1051.261985	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+NH4+CF3COOH"	132.026685
"1636931"	1056.21738	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+Na+CF3COOH"	136.98208
"1581334"	1072.19132	"C16464"	"Citronellyl-CoA"	"C31H52N7O17P3S"	"919.2353"	"M+K+CF3COOH"	152.95602
"813895"	917.2197	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M"	0
"988520"	898.20131	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H2O-H"	-19.01839
"77735"	610.472524	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-3H"	-3.021828
"511948"	916.212424	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-3H"	-3.021828
"889749"	304.732624	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-3H"	-3.021828
"5043"	916.212424	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H"	-2.014552
"451166"	1374.822274	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H"	-2.014552
"827873"	457.602574	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H"	-2.014552
"90052"	1833.432124	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H"	-1.007276
"526331"	2750.651824	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H"	-1.007276
"899759"	916.212424	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H"	-1.007276
"54136"	1850.458671	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+NH4"	16.019271
"500626"	2767.678371	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+NH4"	16.019271
"876971"	933.238971	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+NH4"	16.019271
"42682"	1855.414066	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+Na"	20.974666
"481151"	2772.633766	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+Na"	20.974666
"857856"	938.194366	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+Na"	20.974666
"1626299"	938.194366	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na-2H"	20.974666
"97361"	934.200763	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-H+Cl"	33.962126
"539109"	1392.810613	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-H+Cl"	33.962126
"932619"	475.590913	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+Cl"	33.962126
"271179"	1869.408802	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Cl"	34.969402
"667972"	2786.628502	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Cl"	34.969402
"1278188"	952.189102	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl"	34.969402
"20744"	1871.388006	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M-2H+K"	36.948606
"461398"	2788.607706	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M-2H+K"	36.948606
"838106"	954.168306	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-2H+K"	36.948606
"1559406"	954.168306	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K-2H"	36.948606
"947289"	962.217894	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+HCOOH"	44.998194
"368786"	1879.437601	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+HCOOH-H"	44.998201
"355955"	1893.453251	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Hac-H"	59.013851
"1504422"	976.233551	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Hac-H"	59.013851
"967958"	984.199851	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+NaCOOH"	66.980151
"122336"	952.189102	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Cl"	69.938804
"559712"	1410.798952	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Cl"	69.938804
"1027415"	493.579252	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Cl"	69.938804
"1246995"	996.138585	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Br"	78.918885
"1307253"	998.194572	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+HCOOH"	80.974872
"1326936"	1020.176529	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+NaCOOH"	102.956829
"919092"	1030.205286	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M-H+CF3COOH"	112.985586
"1294705"	1066.181964	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Cl+CF3COOH"	148.962264
"1370680"	882.207024	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-2H2O"	-35.012676
"1389271"	900.217	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H-H2O"	-17.0027
"287133"	1835.446676	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H"	1.007276
"683565"	2752.666376	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H"	1.007276
"1354448"	918.226976	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H"	1.007276
"137906"	918.226976	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2H"	2.014552
"570178"	1376.836826	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2H"	2.014552
"1040071"	459.617126	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H"	2.014552
"206517"	612.487076	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H"	3.021828
"644332"	918.226976	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+3H"	3.021828
"1162776"	306.747176	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3H"	3.021828
"425287"	1852.473223	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+NH4"	18.033823
"785681"	2769.692923	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+NH4"	18.033823
"1686261"	935.253523	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4"	18.033823
"333812"	926.7402495	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+NH4"	19.041099
"723313"	1385.3500995	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+NH4"	19.041099
"1485157"	468.1303995	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+NH4"	19.041099
"400557"	1857.428618	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na"	22.989218
"765927"	2774.648318	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na"	22.989218
"1612934"	940.208918	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na"	22.989218
"321876"	929.217947	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+Na"	23.996494
"715393"	1387.827797	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+Na"	23.996494
"1468121"	470.608097	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+Na"	23.996494
"1063553"	314.07449	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2H+Na"	25.00377
"1265232"	950.253186	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+CH3OH+H"	33.033486
"388183"	1873.402558	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+K"	38.963158
"748087"	2790.622258	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+K"	38.963158
"1549045"	956.182858	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K"	38.963158
"310596"	937.204917	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+H+K"	39.970434
"704842"	1395.814767	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+H+K"	39.970434
"1458296"	478.595067	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+K"	39.970434
"248355"	1876.473226	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+H"	42.033826
"1218148"	959.253526	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+H"	42.033826
"1202031"	480.130401	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+2H"	43.041102
"188778"	1879.41056	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na-H"	44.97116
"629968"	2796.63026	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na-H"	44.97116
"1131439"	962.19086	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na-H"	44.97116
"173600"	940.208918	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2Na"	45.978436
"614990"	1398.818768	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2Na"	45.978436
"1125423"	481.599068	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2Na"	45.978436
"1408947"	321.401804	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+2Na"	46.985712
"1441064"	964.232446	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+HCOOH"	47.012746
"231491"	945.24194	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+3H2O+2H"	56.04448
"1522231"	978.28449	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+H"	61.06479
"421430"	948.195888	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+Na+K"	61.952376
"783520"	1406.805738	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+Na+K"	61.952376
"1680587"	489.586038	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+K"	61.952376
"264916"	1898.455168	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+ACN+Na"	64.015768
"1240053"	981.235468	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+ACN+Na"	64.015768
"1723957"	981.258993	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+HCOOH"	64.039293
"1190405"	328.729118	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3Na"	68.967654
"1658110"	986.214388	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+HCOOH"	68.994688
"162786"	1911.35844	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K-H"	76.91904
"601253"	2828.57814	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K-H"	76.91904
"1090138"	994.13874	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K-H"	76.91904
"145863"	956.182858	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"2M+2K"	77.926316
"587607"	1414.792708	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"3M+2K"	77.926316
"1072121"	497.573008	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K"	77.926316
"1106421"	996.153292	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2K+H"	78.933592
"1338433"	996.240907	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+DMSO+H"	79.021207
"1008419"	1000.280076	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+H"	83.060376
"1525214"	1001.273708	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+IsoProp+Na+H"	84.054008
"991544"	500.643676	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+2ACN+2H"	84.067652
"1589329"	1002.188328	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+HCOOH"	84.968628
"1417176"	1032.219838	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+H+CF3COOH"	115.000138
"1148559"	521.156951	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+3ACN+2H"	125.094202
"1702486"	1049.246385	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+NH4+CF3COOH"	132.026685
"1637041"	1054.20178	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+Na+CF3COOH"	136.98208
"1581444"	1070.17572	"C16465"	"trans-Geranyl-CoA"	"C31H50N7O17P3S"	"917.2197"	"M+K+CF3COOH"	152.95602
"805250"	919.1989	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M"	0
"989360"	900.18051	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-H2O-H"	-19.01839
"73591"	611.791990666667	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M-3H"	-3.021828
"512059"	918.191624	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M-3H"	-3.021828
"886580"	305.392357333333	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-3H"	-3.021828
"4060"	918.191624	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M-2H"	-2.014552
"447995"	1377.791074	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M-2H"	-2.014552
"825798"	458.592174	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-2H"	-2.014552
"79835"	1837.390524	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M-H"	-1.007276
"528629"	2756.589424	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M-H"	-1.007276
"905337"	918.191624	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-H"	-1.007276
"58257"	1854.417071	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M-2H+NH4"	16.019271
"501466"	2773.615971	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M-2H+NH4"	16.019271
"878174"	935.218171	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-2H+NH4"	16.019271
"45344"	1859.372466	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M-2H+Na"	20.974666
"483083"	2778.571366	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M-2H+Na"	20.974666
"860156"	940.173566	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-2H+Na"	20.974666
"1628597"	940.173566	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Na-2H"	20.974666
"101847"	936.179963	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M-H+Cl"	33.962126
"540313"	1395.779413	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M-H+Cl"	33.962126
"931637"	476.580513	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-H+Cl"	33.962126
"272383"	1873.367202	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+Cl"	34.969402
"666986"	2792.566102	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+Cl"	34.969402
"1279392"	954.168302	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Cl"	34.969402
"21946"	1875.346406	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M-2H+K"	36.948606
"461508"	2794.545306	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M-2H+K"	36.948606
"839309"	956.147506	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-2H+K"	36.948606
"1560609"	956.147506	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+K-2H"	36.948606
"946304"	964.197094	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-H+HCOOH"	44.998194
"368896"	1883.396001	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+HCOOH-H"	44.998201
"356794"	1897.411651	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+Hac-H"	59.013851
"1504898"	978.212751	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Hac-H"	59.013851
"969163"	986.179051	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-H+NaCOOH"	66.980151
"116976"	954.168302	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+2Cl"	69.938804
"557632"	1413.767752	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+2Cl"	69.938804
"1026432"	494.568852	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2Cl"	69.938804
"1243457"	998.117785	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Br"	78.918885
"1305907"	1000.173772	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Cl+HCOOH"	80.974872
"1321944"	1022.155729	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Cl+NaCOOH"	102.956829
"914828"	1032.184486	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M-H+CF3COOH"	112.985586
"1291899"	1068.161164	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Cl+CF3COOH"	148.962264
"1371883"	884.186224	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H-2H2O"	-35.012676
"1385735"	902.1962	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H-H2O"	-17.0027
"286147"	1839.405076	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+H"	1.007276
"680027"	2758.603976	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+H"	1.007276
"1352369"	920.206176	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H"	1.007276
"129633"	920.206176	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+2H"	2.014552
"571385"	1379.805626	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+2H"	2.014552
"1041279"	460.606726	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2H"	2.014552
"208449"	613.806542666667	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+3H"	3.021828
"646189"	920.206176	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+3H"	3.021828
"1163130"	307.406909333333	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+3H"	3.021828
"425765"	1856.431623	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+NH4"	18.033823
"785818"	2775.630523	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+NH4"	18.033823
"1686374"	937.232723	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+NH4"	18.033823
"335746"	928.7194495	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+H+NH4"	19.041099
"725980"	1388.3188995	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+H+NH4"	19.041099
"1484174"	469.1199995	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H+NH4"	19.041099
"400667"	1861.387018	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+Na"	22.989218
"766038"	2780.585918	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+Na"	22.989218
"1615960"	942.188118	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Na"	22.989218
"323079"	931.197147	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+H+Na"	23.996494
"716598"	1390.796597	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+H+Na"	23.996494
"1473698"	471.597697	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H+Na"	23.996494
"1065850"	314.734223333333	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2H+Na"	25.00377
"1266437"	952.232386	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+CH3OH+H"	33.033486
"388293"	1877.360958	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+K"	38.963158
"747102"	2796.559858	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+K"	38.963158
"1551343"	958.162058	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+K"	38.963158
"307426"	939.184117	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+H+K"	39.970434
"703129"	1398.783567	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+H+K"	39.970434
"1457677"	479.584667	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H+K"	39.970434
"246642"	1880.431626	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+ACN+H"	42.033826
"1219351"	961.232726	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+ACN+H"	42.033826
"1199954"	481.120001	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+ACN+2H"	43.041102
"189786"	1883.36896	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+2Na-H"	44.97116
"628978"	2802.56786	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+2Na-H"	44.97116
"1133338"	964.17006	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2Na-H"	44.97116
"173958"	942.188118	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+2Na"	45.978436
"617287"	1401.787568	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+2Na"	45.978436
"1125534"	482.588668	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2Na"	45.978436
"1409057"	322.061537333333	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H+2Na"	46.985712
"1435706"	966.211646	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H+HCOOH"	47.012746
"233058"	947.22114	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+3H2O+2H"	56.04448
"1522585"	980.26369	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+IsoProp+H"	61.06479
"422393"	950.175088	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+Na+K"	61.952376
"782902"	1409.774538	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+Na+K"	61.952376
"1680821"	490.575638	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Na+K"	61.952376
"266687"	1902.413568	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+ACN+Na"	64.015768
"1240042"	983.214668	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+ACN+Na"	64.015768
"1726254"	983.238193	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+NH4+HCOOH"	64.039293
"1191608"	329.388851333333	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+3Na"	68.967654
"1654941"	988.193588	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Na+HCOOH"	68.994688
"161074"	1915.31684	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+2K-H"	76.91904
"599541"	2834.51574	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+2K-H"	76.91904
"1086240"	996.11794	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2K-H"	76.91904
"142085"	958.162058	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"2M+2K"	77.926316
"584439"	1417.761508	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"3M+2K"	77.926316
"1069193"	498.562608	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2K"	77.926316
"1103251"	998.132492	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2K+H"	78.933592
"1339636"	998.220107	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+DMSO+H"	79.021207
"1007800"	1002.259276	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2ACN+H"	83.060376
"1525324"	1003.252908	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+IsoProp+Na+H"	84.054008
"990682"	501.633276	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+2ACN+2H"	84.067652
"1592720"	1004.167528	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+K+HCOOH"	84.968628
"1419473"	1034.199038	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+H+CF3COOH"	115.000138
"1149034"	522.146551	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+3ACN+2H"	125.094202
"1701503"	1051.225585	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+NH4+CF3COOH"	132.026685
"1635329"	1056.18098	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+Na+CF3COOH"	136.98208
"1581554"	1072.15492	"C16466"	"7-Methyl-3-oxo-6-octenoyl-CoA"	"C30H48N7O18P3S"	"919.1989"	"M+K+CF3COOH"	152.95602
"816817"	875.1727	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M"	0
"982175"	856.15431	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H2O-H"	-19.01839
"76979"	582.441190666667	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-3H"	-3.021828
"503783"	874.165424	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-3H"	-3.021828
"881586"	290.716957333333	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-3H"	-3.021828
"6359"	874.165424	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H"	-2.014552
"442638"	1311.751774	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H"	-2.014552
"819346"	436.579074	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H"	-2.014552
"79454"	1749.338124	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-H"	-1.007276
"519747"	2624.510824	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-H"	-1.007276
"907272"	874.165424	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H"	-1.007276
"58003"	1766.364671	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H+NH4"	16.019271
"502061"	2641.537371	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H+NH4"	16.019271
"877919"	891.191971	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H+NH4"	16.019271
"42904"	1771.320066	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H+Na"	20.974666
"482100"	2646.492766	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H+Na"	20.974666
"859172"	896.147366	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H+Na"	20.974666
"1630895"	896.147366	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na-2H"	20.974666
"106693"	892.153763	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-H+Cl"	33.962126
"544430"	1329.740113	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-H+Cl"	33.962126
"937946"	454.567413	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+Cl"	33.962126
"278689"	1785.314802	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Cl"	34.969402
"665277"	2660.487502	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+Cl"	34.969402
"1279501"	910.142102	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl"	34.969402
"22058"	1787.294006	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M-2H+K"	36.948606
"463806"	2662.466706	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M-2H+K"	36.948606
"839422"	912.121306	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-2H+K"	36.948606
"1560724"	912.121306	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K-2H"	36.948606
"951887"	920.170894	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+HCOOH"	44.998194
"371927"	1795.343601	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+HCOOH-H"	44.998201
"357633"	1809.359251	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Hac-H"	59.013851
"1504285"	934.186551	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Hac-H"	59.013851
"965993"	942.152851	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+NaCOOH"	66.980151
"120369"	910.142102	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2Cl"	69.938804
"557742"	1347.728452	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2Cl"	69.938804
"1023383"	472.555752	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2Cl"	69.938804
"1246116"	954.091585	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Br"	78.918885
"1308201"	956.147572	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl+HCOOH"	80.974872
"1326062"	978.129529	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl+NaCOOH"	102.956829
"917123"	988.158286	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M-H+CF3COOH"	112.985586
"1293831"	1024.134964	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Cl+CF3COOH"	148.962264
"1371992"	840.160024	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H-2H2O"	-35.012676
"1387303"	858.17	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H-H2O"	-17.0027
"286990"	1751.352676	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H"	1.007276
"680504"	2626.525376	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H"	1.007276
"1356856"	876.179976	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H"	1.007276
"131931"	876.179976	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2H"	2.014552
"568214"	1313.766326	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2H"	2.014552
"1041753"	438.593626	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2H"	2.014552
"206737"	584.455742666667	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+3H"	3.021828
"645325"	876.179976	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+3H"	3.021828
"1163327"	292.731509333333	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+3H"	3.021828
"424326"	1768.379223	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+NH4"	18.033823
"786055"	2643.551923	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+NH4"	18.033823
"1682103"	893.206523	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+NH4"	18.033823
"331841"	884.6932495	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H+NH4"	19.041099
"724993"	1322.2795995	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H+NH4"	19.041099
"1478204"	447.1068995	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+NH4"	19.041099
"408070"	1773.334618	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Na"	22.989218
"768335"	2648.507318	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+Na"	22.989218
"1616434"	898.161918	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na"	22.989218
"322099"	887.170947	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H+Na"	23.996494
"718894"	1324.757297	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H+Na"	23.996494
"1472713"	449.584597	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+Na"	23.996494
"1064866"	300.058823333333	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2H+Na"	25.00377
"1262175"	908.206186	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+CH3OH+H"	33.033486
"382938"	1789.308558	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+K"	38.963158
"743931"	2664.481258	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+K"	38.963158
"1545988"	914.135858	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K"	38.963158
"302797"	895.157917	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+H+K"	39.970434
"693760"	1332.744267	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+H+K"	39.970434
"1447215"	457.571567	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+K"	39.970434
"240192"	1792.379226	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+ACN+H"	42.033826
"1211930"	917.206526	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+ACN+H"	42.033826
"1195812"	459.106901	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+ACN+2H"	43.041102
"189047"	1795.31656	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2Na-H"	44.97116
"629946"	2670.48926	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2Na-H"	44.97116
"1132476"	920.14386	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2Na-H"	44.97116
"174186"	898.161918	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2Na"	45.978436
"616668"	1335.748268	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2Na"	45.978436
"1120176"	460.575568	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2Na"	45.978436
"1408077"	307.386137333333	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+2Na"	46.985712
"1442380"	922.185446	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+HCOOH"	47.012746
"234635"	903.19494	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+3H2O+2H"	56.04448
"1518686"	936.23749	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+IsoProp+H"	61.06479
"421653"	906.148888	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+Na+K"	61.952376
"785575"	1343.735238	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+Na+K"	61.952376
"1677159"	468.562538	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na+K"	61.952376
"266229"	1814.361168	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+ACN+Na"	64.015768
"1240395"	939.188468	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+ACN+Na"	64.015768
"1726369"	939.211993	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+NH4+HCOOH"	64.039293
"1186251"	314.713451333333	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+3Na"	68.967654
"1660517"	944.167388	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na+HCOOH"	68.994688
"165191"	1827.26444	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2K-H"	76.91904
"603660"	2702.43714	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2K-H"	76.91904
"1087077"	952.09174	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2K-H"	76.91904
"143896"	914.135858	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"2M+2K"	77.926316
"583455"	1351.722208	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"3M+2K"	77.926316
"1070518"	476.549508	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2K"	77.926316
"1101660"	954.106292	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2K+H"	78.933592
"1336956"	954.193907	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+DMSO+H"	79.021207
"1013753"	958.233076	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2ACN+H"	83.060376
"1527504"	959.226708	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+IsoProp+Na+H"	84.054008
"998327"	479.620176	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+2ACN+2H"	84.067652
"1593922"	960.141328	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K+HCOOH"	84.968628
"1416303"	990.172838	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+H+CF3COOH"	115.000138
"1152060"	500.133451	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+3ACN+2H"	125.094202
"1700521"	1007.199385	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+NH4+CF3COOH"	132.026685
"1640546"	1012.15478	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+Na+CF3COOH"	136.98208
"1576197"	1028.12872	"C16468"	"(2E)-5-Methylhexa-24-dienoyl-CoA"	"C28H44N7O17P3S"	"875.1727"	"M+K+CF3COOH"	152.95602
"816287"	893.1833	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M"	0
"986660"	874.16491	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H2O-H"	-19.01839
"73809"	594.448257333333	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-3H"	-3.021828
"504743"	892.176024	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-3H"	-3.021828
"886069"	296.720490666667	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-3H"	-3.021828
"5373"	892.176024	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H"	-2.014552
"444205"	1338.767674	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H"	-2.014552
"820184"	445.584374	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H"	-2.014552
"79202"	1785.359324	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-H"	-1.007276
"525203"	2678.542624	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-H"	-1.007276
"909569"	892.176024	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H"	-1.007276
"61029"	1802.385871	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H+NH4"	16.019271
"502460"	2695.569171	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H+NH4"	16.019271
"876936"	909.202571	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H+NH4"	16.019271
"43014"	1807.341266	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H+Na"	20.974666
"482574"	2700.524566	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H+Na"	20.974666
"858189"	914.157966	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H+Na"	20.974666
"1633192"	914.157966	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na-2H"	20.974666
"106804"	910.164363	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-H+Cl"	33.962126
"546363"	1356.756013	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-H+Cl"	33.962126
"940973"	463.572713	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+Cl"	33.962126
"281715"	1821.336002	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Cl"	34.969402
"667211"	2714.519302	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+Cl"	34.969402
"1279613"	928.152702	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl"	34.969402
"24356"	1823.315206	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M-2H+K"	36.948606
"462824"	2716.498506	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M-2H+K"	36.948606
"835888"	930.131906	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-2H+K"	36.948606
"1560836"	930.131906	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K-2H"	36.948606
"953091"	938.181494	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+HCOOH"	44.998194
"374224"	1831.364801	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+HCOOH-H"	44.998201
"357743"	1845.380451	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Hac-H"	59.013851
"1505123"	952.197151	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Hac-H"	59.013851
"963916"	960.163451	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+NaCOOH"	66.980151
"117199"	928.152702	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2Cl"	69.938804
"554572"	1374.744352	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2Cl"	69.938804
"1023372"	481.561052	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2Cl"	69.938804
"1243310"	972.102185	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Br"	78.918885
"1307217"	974.158172	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl+HCOOH"	80.974872
"1322893"	996.140129	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl+NaCOOH"	102.956829
"917232"	1006.168886	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M-H+CF3COOH"	112.985586
"1291754"	1042.145564	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Cl+CF3COOH"	148.962264
"1369918"	858.170624	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H-2H2O"	-35.012676
"1384131"	876.1806	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H-H2O"	-17.0027
"290379"	1787.373876	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H"	1.007276
"679522"	2680.557176	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H"	1.007276
"1354050"	894.190576	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H"	1.007276
"126208"	894.190576	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2H"	2.014552
"567957"	1340.782226	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2H"	2.014552
"1040041"	447.598926	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2H"	2.014552
"206482"	596.462809333333	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+3H"	3.021828
"645313"	894.190576	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+3H"	3.021828
"1162774"	298.735042666667	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+3H"	3.021828
"424394"	1804.400423	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+NH4"	18.033823
"785876"	2697.583723	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+NH4"	18.033823
"1681725"	911.217123	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+NH4"	18.033823
"331953"	902.7038495	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H+NH4"	19.041099
"727656"	1349.2954995	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H+NH4"	19.041099
"1478194"	456.1121995	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+NH4"	19.041099
"403076"	1809.355818	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Na"	22.989218
"768447"	2702.539118	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+Na"	22.989218
"1614357"	916.172518	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na"	22.989218
"322209"	905.181547	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H+Na"	23.996494
"713536"	1351.773197	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H+Na"	23.996494
"1472823"	458.589897	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+Na"	23.996494
"1064976"	306.062356666667	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2H+Na"	25.00377
"1263378"	926.216786	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+CH3OH+H"	33.033486
"384142"	1825.329758	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+K"	38.963158
"742948"	2718.513058	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+K"	38.963158
"1543912"	932.146458	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K"	38.963158
"304365"	913.168517	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+H+K"	39.970434
"697881"	1359.760167	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+H+K"	39.970434
"1450606"	466.576867	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+K"	39.970434
"242489"	1828.400426	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+ACN+H"	42.033826
"1213012"	935.217126	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+ACN+H"	42.033826
"1197258"	468.112201	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+ACN+2H"	43.041102
"190494"	1831.33776	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2Na-H"	44.97116
"628542"	2724.52106	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2Na-H"	44.97116
"1131431"	938.15446	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2Na-H"	44.97116
"173569"	916.172518	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2Na"	45.978436
"617142"	1362.764168	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2Na"	45.978436
"1121740"	469.580868	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2Na"	45.978436
"1407091"	313.389670666667	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+2Na"	46.985712
"1439207"	940.196046	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+HCOOH"	47.012746
"234987"	921.20554	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+3H2O+2H"	56.04448
"1522076"	954.24809	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+IsoProp+H"	61.06479
"424066"	924.159488	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+Na+K"	61.952376
"785645"	1370.751138	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+Na+K"	61.952376
"1677269"	477.567838	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na+K"	61.952376
"265974"	1850.382368	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+ACN+Na"	64.015768
"1237588"	957.199068	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+ACN+Na"	64.015768
"1725381"	957.222593	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+NH4+HCOOH"	64.039293
"1184175"	320.716984666667	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+3Na"	68.967654
"1657346"	962.177988	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na+HCOOH"	68.994688
"166395"	1863.28564	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2K-H"	76.91904
"601948"	2756.46894	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2K-H"	76.91904
"1086459"	970.10234	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2K-H"	76.91904
"144006"	932.146458	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"2M+2K"	77.926316
"583564"	1378.738108	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"3M+2K"	77.926316
"1070264"	485.554808	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2K"	77.926316
"1102377"	972.116892	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2K+H"	78.933592
"1336945"	972.204507	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+DMSO+H"	79.021207
"1013862"	976.243676	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2ACN+H"	83.060376
"1525666"	977.237308	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+IsoProp+Na+H"	84.054008
"999530"	488.625476	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+2ACN+2H"	84.067652
"1589659"	978.151928	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K+HCOOH"	84.968628
"1416412"	1008.183438	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+H+CF3COOH"	115.000138
"1152170"	509.138751	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+3ACN+2H"	125.094202
"1700629"	1025.209985	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+NH4+CF3COOH"	132.026685
"1643936"	1030.16538	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+Na+CF3COOH"	136.98208
"1576307"	1046.13932	"C16469"	"3-Hydroxy-5-methylhex-4-enoyl-CoA"	"C28H46N7O18P3S"	"893.1833"	"M+K+CF3COOH"	152.95602
"814702"	877.1884	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M"	0
"983489"	858.17001	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H2O-H"	-19.01839
"73919"	583.784990666667	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-3H"	-3.021828
"509108"	876.181124	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-3H"	-3.021828
"883630"	291.388857333333	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-3H"	-3.021828
"4391"	876.181124	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H"	-2.014552
"448326"	1314.775324	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H"	-2.014552
"819567"	437.586924	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H"	-2.014552
"85024"	1753.369524	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-H"	-1.007276
"525679"	2630.557924	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-H"	-1.007276
"908221"	876.181124	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H"	-1.007276
"61871"	1770.396071	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+NH4"	16.019271
"501553"	2647.584471	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+NH4"	16.019271
"878139"	893.207671	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+NH4"	16.019271
"44217"	1775.351466	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+Na"	20.974666
"481589"	2652.539866	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+Na"	20.974666
"862308"	898.163066	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+Na"	20.974666
"1631845"	898.163066	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na-2H"	20.974666
"106548"	894.169463	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-H+Cl"	33.962126
"546838"	1332.763663	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-H+Cl"	33.962126
"940354"	455.575263	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+Cl"	33.962126
"278909"	1789.346202	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Cl"	34.969402
"667321"	2666.534602	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Cl"	34.969402
"1281908"	912.157802	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl"	34.969402
"22643"	1791.325406	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M-2H+K"	36.948606
"464028"	2668.513806	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M-2H+K"	36.948606
"835634"	914.137006	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-2H+K"	36.948606
"1559851"	914.137006	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K-2H"	36.948606
"949921"	922.186594	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+HCOOH"	44.998194
"373970"	1799.375001	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+HCOOH-H"	44.998201
"357853"	1813.390651	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Hac-H"	59.013851
"1504869"	936.202251	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Hac-H"	59.013851
"966214"	944.168551	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+NaCOOH"	66.980151
"117309"	912.157802	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Cl"	69.938804
"557963"	1350.752002	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Cl"	69.938804
"1026762"	473.563602	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Cl"	69.938804
"1244881"	956.107285	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Br"	78.918885
"1306962"	958.163272	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+HCOOH"	80.974872
"1322273"	980.145229	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+NaCOOH"	102.956829
"917343"	990.173986	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M-H+CF3COOH"	112.985586
"1292227"	1026.150664	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Cl+CF3COOH"	148.962264
"1373308"	842.175724	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H-2H2O"	-35.012676
"1385335"	860.1857	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H-H2O"	-17.0027
"286116"	1755.384076	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H"	1.007276
"681819"	2632.572476	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H"	1.007276
"1354888"	878.195676	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H"	1.007276
"132150"	878.195676	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2H"	2.014552
"568432"	1316.789876	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2H"	2.014552
"1039420"	439.601476	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2H"	2.014552
"206592"	585.799542666667	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+3H"	3.021828
"645423"	878.195676	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+3H"	3.021828
"1162942"	293.403409333333	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3H"	3.021828
"424629"	1772.410623	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+NH4"	18.033823
"786231"	2649.599023	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+NH4"	18.033823
"1681950"	895.222223	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4"	18.033823
"332791"	886.7089495	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+NH4"	19.041099
"724121"	1325.3031495	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+NH4"	19.041099
"1478301"	448.1147495	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+NH4"	19.041099
"405373"	1777.366018	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Na"	22.989218
"768436"	2654.554418	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Na"	22.989218
"1613374"	900.177618	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na"	22.989218
"323413"	889.186647	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+Na"	23.996494
"712553"	1327.780847	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+Na"	23.996494
"1472933"	450.592447	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+Na"	23.996494
"1059619"	300.730723333333	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2H+Na"	25.00377
"1266769"	910.221886	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+CH3OH+H"	33.033486
"385346"	1793.339958	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+K"	38.963158
"745246"	2670.528358	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+K"	38.963158
"1542929"	916.151558	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K"	38.963158
"302292"	897.173617	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+H+K"	39.970434
"700177"	1335.767817	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+H+K"	39.970434
"1450716"	458.579417	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+K"	39.970434
"242599"	1796.410626	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+ACN+H"	42.033826
"1213122"	919.222226	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+H"	42.033826
"1194815"	460.114751	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+2H"	43.041102
"190606"	1799.34796	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Na-H"	44.97116
"628695"	2676.53636	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Na-H"	44.97116
"1131469"	922.15956	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Na-H"	44.97116
"172980"	900.177618	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2Na"	45.978436
"612985"	1338.771818	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2Na"	45.978436
"1115764"	461.583418	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2Na"	45.978436
"1401367"	308.058037333333	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+2Na"	46.985712
"1433849"	924.201146	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+HCOOH"	47.012746
"235097"	905.21064	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+3H2O+2H"	56.04448
"1522186"	938.25319	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+IsoProp+H"	61.06479
"421509"	908.164588	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+Na+K"	61.952376
"775944"	1346.758788	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+Na+K"	61.952376
"1675192"	469.570388	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+K"	61.952376
"264626"	1818.392568	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+ACN+Na"	64.015768
"1235511"	941.204168	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+ACN+Na"	64.015768
"1721117"	941.227693	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4+HCOOH"	64.039293
"1187565"	315.385351333333	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3Na"	68.967654
"1661830"	946.183088	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+HCOOH"	68.994688
"162131"	1831.29584	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2K-H"	76.91904
"602057"	2708.48424	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2K-H"	76.91904
"1086569"	954.10744	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K-H"	76.91904
"145210"	916.151558	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"2M+2K"	77.926316
"582942"	1354.745758	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"3M+2K"	77.926316
"1069277"	477.557358	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K"	77.926316
"1100302"	956.121992	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2K+H"	78.933592
"1336692"	956.209607	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+DMSO+H"	79.021207
"1013972"	960.248776	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2ACN+H"	83.060376
"1527722"	961.242408	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+IsoProp+Na+H"	84.054008
"999641"	480.628026	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+2ACN+2H"	84.067652
"1593050"	962.157028	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K+HCOOH"	84.968628
"1417615"	992.188538	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+H+CF3COOH"	115.000138
"1152280"	501.141301	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+3ACN+2H"	125.094202
"1700739"	1009.215085	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+NH4+CF3COOH"	132.026685
"1640766"	1014.17048	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+Na+CF3COOH"	136.98208
"1576417"	1030.14442	"C16470"	"5-Methylhex-4-enoyl-CoA"	"C28H46N7O17P3S"	"877.1884"	"M+K+CF3COOH"	152.95602
"816513"	891.1676	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M"	0
"986878"	872.14921	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H2O-H"	-19.01839
"78041"	593.104457333333	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-3H"	-3.021828
"517368"	890.160324	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-3H"	-3.021828
"888113"	296.048590666667	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-3H"	-3.021828
"11062"	890.160324	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H"	-2.014552
"448436"	1335.744124	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H"	-2.014552
"824049"	444.576524	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H"	-2.014552
"89508"	1781.327924	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-H"	-1.007276
"529434"	2672.495524	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-H"	-1.007276
"910766"	890.160324	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H"	-1.007276
"62675"	1798.354471	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+NH4"	16.019271
"501785"	2689.522071	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+NH4"	16.019271
"879224"	907.186871	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+NH4"	16.019271
"47060"	1803.309866	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+Na"	20.974666
"485837"	2694.477466	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+Na"	20.974666
"862666"	912.142266	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+Na"	20.974666
"1632930"	912.142266	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na-2H"	20.974666
"107999"	908.148663	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-H+Cl"	33.962126
"549262"	1353.732463	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-H+Cl"	33.962126
"942170"	462.564863	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+Cl"	33.962126
"282307"	1817.304602	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Cl"	34.969402
"667796"	2708.472202	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Cl"	34.969402
"1283114"	926.137002	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl"	34.969402
"24576"	1819.283806	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M-2H+K"	36.948606
"463045"	2710.451406	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M-2H+K"	36.948606
"838660"	928.116206	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-2H+K"	36.948606
"1565424"	928.116206	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K-2H"	36.948606
"950031"	936.165794	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+HCOOH"	44.998194
"367152"	1827.333401	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+HCOOH-H"	44.998201
"356506"	1841.349051	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Hac-H"	59.013851
"1503884"	950.181451	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Hac-H"	59.013851
"972522"	958.147751	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+NaCOOH"	66.980151
"122887"	926.137002	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Cl"	69.938804
"562448"	1371.720802	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Cl"	69.938804
"1033435"	480.553202	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Cl"	69.938804
"1247545"	970.086485	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Br"	78.918885
"1306713"	972.142472	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+HCOOH"	80.974872
"1324208"	994.124429	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+NaCOOH"	102.956829
"915631"	1004.153186	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M-H+CF3COOH"	112.985586
"1300724"	1040.129864	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Cl+CF3COOH"	148.962264
"1374511"	856.154924	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H-2H2O"	-35.012676
"1386902"	874.1649	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H-H2O"	-17.0027
"287319"	1783.342476	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H"	1.007276
"683021"	2674.510076	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H"	1.007276
"1353904"	892.174876	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H"	1.007276
"129347"	892.174876	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2H"	2.014552
"575104"	1337.758676	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2H"	2.014552
"1039531"	446.591076	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2H"	2.014552
"211807"	595.119009333333	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+3H"	3.021828
"649179"	892.174876	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+3H"	3.021828
"1167671"	298.063142666667	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3H"	3.021828
"426199"	1800.369023	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+NH4"	18.033823
"786831"	2691.536623	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+NH4"	18.033823
"1683529"	909.201423	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4"	18.033823
"333265"	900.6881495	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+NH4"	19.041099
"725323"	1346.2719495	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+NH4"	19.041099
"1479140"	455.1043495	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+NH4"	19.041099
"406576"	1805.324418	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Na"	22.989218
"768546"	2696.492018	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Na"	22.989218
"1613484"	914.156818	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na"	22.989218
"325346"	903.165847	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+Na"	23.996494
"715943"	1348.749647	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+Na"	23.996494
"1473043"	457.582047	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+Na"	23.996494
"1064102"	305.390456666667	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2H+Na"	25.00377
"1270889"	924.201086	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+CH3OH+H"	33.033486
"389830"	1821.298358	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+K"	38.963158
"746450"	2712.465958	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+K"	38.963158
"1547410"	930.130758	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K"	38.963158
"310422"	911.152817	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+H+K"	39.970434
"700290"	1356.736617	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+H+K"	39.970434
"1455569"	465.569017	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+K"	39.970434
"246721"	1824.369026	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+ACN+H"	42.033826
"1218701"	933.201426	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+H"	42.033826
"1197114"	467.104351	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+2H"	43.041102
"189376"	1827.30636	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Na-H"	44.97116
"629298"	2718.47396	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Na-H"	44.97116
"1134143"	936.13876	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Na-H"	44.97116
"173787"	914.156818	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2Na"	45.978436
"613593"	1359.740618	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2Na"	45.978436
"1116248"	468.573018	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2Na"	45.978436
"1404030"	312.717770666667	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+2Na"	46.985712
"1434323"	938.180346	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+HCOOH"	47.012746
"234603"	919.18984	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+3H2O+2H"	56.04448
"1521205"	952.23239	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+IsoProp+H"	61.06479
"420528"	922.143788	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+Na+K"	61.952376
"777877"	1367.727588	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+Na+K"	61.952376
"1672021"	476.559988	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+K"	61.952376
"261457"	1846.350968	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+ACN+Na"	64.015768
"1234527"	955.183368	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+ACN+Na"	64.015768
"1722321"	955.206893	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4+HCOOH"	64.039293
"1188768"	320.045084666667	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3Na"	68.967654
"1661576"	960.162288	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+HCOOH"	68.994688
"165522"	1859.25424	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2K-H"	76.91904
"601071"	2750.42184	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2K-H"	76.91904
"1091783"	968.08664	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K-H"	76.91904
"146414"	930.130758	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"2M+2K"	77.926316
"582569"	1375.714558	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"3M+2K"	77.926316
"1069876"	484.546958	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K"	77.926316
"1101630"	970.101192	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2K+H"	78.933592
"1336802"	970.188807	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+DMSO+H"	79.021207
"1014811"	974.227976	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2ACN+H"	83.060376
"1527832"	975.221608	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+IsoProp+Na+H"	84.054008
"996473"	487.617626	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+2ACN+2H"	84.067652
"1589879"	976.136228	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K+HCOOH"	84.968628
"1415904"	1006.167738	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+H+CF3COOH"	115.000138
"1151296"	508.130901	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+3ACN+2H"	125.094202
"1699755"	1023.194285	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+NH4+CF3COOH"	132.026685
"1640876"	1028.14968	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+Na+CF3COOH"	136.98208
"1575434"	1044.12362	"C16471"	"5-Methyl-3-oxo-4-hexenoyl-CoA"	"C28H44N7O18P3S"	"891.1676"	"M+K+CF3COOH"	152.95602
"811271"	128.0274	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M"	0
"986990"	109.00901	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H2O-H"	-19.01839
"77302"	84.344324	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-3H"	-3.021828
"517717"	127.020124	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-3H"	-3.021828
"886037"	41.668524	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-3H"	-3.021828
"8986"	127.020124	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H"	-2.014552
"448546"	191.033824	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H"	-2.014552
"830720"	63.006424	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H"	-2.014552
"92536"	255.047524	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-H"	-1.007276
"529180"	383.074924	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-H"	-1.007276
"910511"	127.020124	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H"	-1.007276
"61492"	272.074071	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H+NH4"	16.019271
"501410"	400.101471	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H+NH4"	16.019271
"878853"	144.046671	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H+NH4"	16.019271
"46149"	277.029466	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H+Na"	20.974666
"485947"	405.056866	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H+Na"	20.974666
"862412"	149.002066	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H+Na"	20.974666
"1633039"	149.002066	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na-2H"	20.974666
"108231"	145.008463	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-H+Cl"	33.962126
"548765"	209.022163	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-H+Cl"	33.962126
"941062"	80.994763	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+Cl"	33.962126
"281448"	291.024202	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Cl"	34.969402
"673009"	419.051602	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+Cl"	34.969402
"1281039"	162.996802	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl"	34.969402
"25781"	293.003406	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H+K"	36.948606
"464248"	421.030806	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H+K"	36.948606
"836217"	164.976006	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H+K"	36.948606
"1563351"	164.976006	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K-2H"	36.948606
"946131"	173.025594	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+HCOOH"	44.998194
"369450"	301.053001	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+HCOOH-H"	44.998201
"356981"	315.068651	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Hac-H"	59.013851
"1507402"	187.041251	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Hac-H"	59.013851
"972268"	195.007551	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+NaCOOH"	66.980151
"122634"	162.996802	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2Cl"	69.938804
"562924"	227.010502	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2Cl"	69.938804
"1032452"	98.983102	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2Cl"	69.938804
"1253123"	206.946285	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Br"	78.918885
"1311198"	209.002272	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl+HCOOH"	80.974872
"1324320"	230.984229	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl+NaCOOH"	102.956829
"915742"	241.012986	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+CF3COOH"	112.985586
"1295365"	276.989664	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl+CF3COOH"	148.962264
"1374621"	93.014724	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H-2H2O"	-35.012676
"1394303"	111.0247	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H-H2O"	-17.0027
"287430"	257.062076	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H"	1.007276
"685321"	385.089476	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H"	1.007276
"1356567"	129.034676	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H"	1.007276
"132373"	129.034676	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2H"	2.014552
"578496"	193.048376	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2H"	2.014552
"1042194"	65.020976	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2H"	2.014552
"213012"	86.358876	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+3H"	3.021828
"648561"	129.034676	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+3H"	3.021828
"1164863"	43.683076	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+3H"	3.021828
"426678"	274.088623	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+NH4"	18.033823
"787429"	402.116023	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+NH4"	18.033823
"1685100"	146.061223	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+NH4"	18.033823
"331915"	137.5479495	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H+NH4"	19.041099
"723608"	201.5616495	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H+NH4"	19.041099
"1482173"	73.5342495	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+NH4"	19.041099
"404500"	279.044018	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Na"	22.989218
"767321"	407.071418	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+Na"	22.989218
"1610314"	151.016618	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na"	22.989218
"325819"	140.025647	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H+Na"	23.996494
"719334"	204.039347	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H+Na"	23.996494
"1469874"	76.011947	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+Na"	23.996494
"1060932"	51.01039	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2H+Na"	25.00377
"1270270"	161.060886	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+CH3OH+H"	33.033486
"389942"	295.017958	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+K"	38.963158
"746561"	423.045358	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+K"	38.963158
"1550801"	166.990558	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K"	38.963158
"310896"	148.012617	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H+K"	39.970434
"701494"	212.026317	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H+K"	39.970434
"1457500"	83.998917	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+K"	39.970434
"247560"	298.088626	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+ACN+H"	42.033826
"1219904"	170.061226	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+ACN+H"	42.033826
"1194912"	85.534251	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+ACN+2H"	43.041102
"193375"	301.02596	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2Na-H"	44.97116
"629408"	429.05336	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2Na-H"	44.97116
"1134619"	172.99856	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2Na-H"	44.97116
"174628"	151.016618	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2Na"	45.978436
"614552"	215.030318	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2Na"	45.978436
"1116963"	87.002918	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2Na"	45.978436
"1403409"	58.337704	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+2Na"	46.985712
"1434069"	175.040146	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+HCOOH"	47.012746
"235645"	156.04964	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+3H2O+2H"	56.04448
"1523140"	189.09219	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+IsoProp+H"	61.06479
"421369"	159.003588	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Na+K"	61.952376
"782725"	223.017288	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+Na+K"	61.952376
"1673224"	94.989888	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na+K"	61.952376
"263391"	320.070568	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+ACN+Na"	64.015768
"1235368"	192.043168	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+ACN+Na"	64.015768
"1722796"	192.066693	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+NH4+HCOOH"	64.039293
"1188514"	65.665018	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+3Na"	68.967654
"1656583"	197.022088	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na+HCOOH"	68.994688
"163445"	332.97384	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2K-H"	76.91904
"604101"	461.00124	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2K-H"	76.91904
"1094081"	204.94644	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2K-H"	76.91904
"144338"	166.990558	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2K"	77.926316
"582801"	231.004258	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2K"	77.926316
"1072785"	102.976858	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2K"	77.926316
"1100890"	206.960992	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2K+H"	78.933592
"1337154"	207.048607	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+DMSO+H"	79.021207
"1015285"	211.087776	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2ACN+H"	83.060376
"1527941"	212.081408	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+IsoProp+Na+H"	84.054008
"999863"	106.047526	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2ACN+2H"	84.067652
"1591084"	212.996028	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K+HCOOH"	84.968628
"1415286"	243.027538	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+CF3COOH"	115.000138
"1155782"	126.560801	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+3ACN+2H"	125.094202
"1700957"	260.054085	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+NH4+CF3COOH"	132.026685
"1640986"	265.00948	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na+CF3COOH"	136.98208
"1575544"	280.98342	"C16472"	"3-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K+CF3COOH"	152.95602
"808096"	128.0274	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M"	0
"987828"	109.00901	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H2O-H"	-19.01839
"78528"	84.344324	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-3H"	-3.021828
"514905"	127.020124	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-3H"	-3.021828
"883959"	41.668524	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-3H"	-3.021828
"4720"	127.020124	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H"	-2.014552
"445374"	191.033824	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H"	-2.014552
"829736"	63.006424	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H"	-2.014552
"91551"	255.047524	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-H"	-1.007276
"530019"	383.074924	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-H"	-1.007276
"911107"	127.020124	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H"	-1.007276
"62081"	272.074071	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H+NH4"	16.019271
"501397"	400.101471	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H+NH4"	16.019271
"879489"	144.046671	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H+NH4"	16.019271
"46247"	277.029466	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H+Na"	20.974666
"486864"	405.056866	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H+Na"	20.974666
"863898"	149.002066	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H+Na"	20.974666
"1633022"	149.002066	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na-2H"	20.974666
"109351"	145.008463	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-H+Cl"	33.962126
"549477"	209.022163	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-H+Cl"	33.962126
"941654"	80.994763	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+Cl"	33.962126
"278508"	291.024202	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Cl"	34.969402
"674334"	419.051602	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+Cl"	34.969402
"1284427"	162.996802	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl"	34.969402
"25889"	293.003406	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M-2H+K"	36.948606
"460348"	421.030806	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M-2H+K"	36.948606
"838876"	164.976006	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-2H+K"	36.948606
"1561272"	164.976006	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K-2H"	36.948606
"948062"	173.025594	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+HCOOH"	44.998194
"372837"	301.053001	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+HCOOH-H"	44.998201
"355629"	315.068651	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Hac-H"	59.013851
"1496812"	187.041251	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Hac-H"	59.013851
"963259"	195.007551	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+NaCOOH"	66.980151
"114356"	162.996802	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2Cl"	69.938804
"561207"	227.010502	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2Cl"	69.938804
"1033652"	98.983102	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2Cl"	69.938804
"1247766"	206.946285	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Br"	78.918885
"1312400"	209.002272	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl+HCOOH"	80.974872
"1326617"	230.984229	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl+NaCOOH"	102.956829
"915487"	241.012986	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M-H+CF3COOH"	112.985586
"1291469"	276.989664	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Cl+CF3COOH"	148.962264
"1371451"	93.014724	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H-2H2O"	-35.012676
"1385664"	111.0247	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H-H2O"	-17.0027
"286449"	257.062076	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H"	1.007276
"679963"	385.089476	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H"	1.007276
"1356312"	129.034676	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H"	1.007276
"130296"	129.034676	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2H"	2.014552
"576417"	193.048376	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2H"	2.014552
"1045217"	65.020976	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2H"	2.014552
"215305"	86.358876	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+3H"	3.021828
"654864"	129.034676	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+3H"	3.021828
"1164605"	43.683076	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+3H"	3.021828
"426785"	274.088623	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+NH4"	18.033823
"792882"	402.116023	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+NH4"	18.033823
"1681799"	146.061223	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+NH4"	18.033823
"330197"	137.5479495	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H+NH4"	19.041099
"722936"	201.5616495	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H+NH4"	19.041099
"1477238"	73.5342495	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+NH4"	19.041099
"403517"	279.044018	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Na"	22.989218
"764516"	407.071418	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+Na"	22.989218
"1610424"	151.016618	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na"	22.989218
"327024"	140.025647	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H+Na"	23.996494
"718352"	204.039347	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H+Na"	23.996494
"1473265"	76.011947	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+Na"	23.996494
"1061045"	51.01039	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2H+Na"	25.00377
"1270016"	161.060886	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+CH3OH+H"	33.033486
"390050"	295.017958	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+K"	38.963158
"751046"	423.045358	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+K"	38.963158
"1553099"	166.990558	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K"	38.963158
"311370"	148.012617	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+H+K"	39.970434
"704521"	212.026317	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+H+K"	39.970434
"1457609"	83.998917	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+K"	39.970434
"247305"	298.088626	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+ACN+H"	42.033826
"1220014"	170.061226	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+ACN+H"	42.033826
"1196604"	85.534251	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+ACN+2H"	43.041102
"191663"	301.02596	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2Na-H"	44.97116
"629397"	429.05336	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2Na-H"	44.97116
"1131436"	172.99856	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2Na-H"	44.97116
"174373"	151.016618	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2Na"	45.978436
"614541"	215.030318	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2Na"	45.978436
"1120722"	87.002918	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2Na"	45.978436
"1403883"	58.337704	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+2Na"	46.985712
"1436366"	175.040146	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+HCOOH"	47.012746
"234822"	156.04964	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+3H2O+2H"	56.04448
"1523250"	189.09219	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+IsoProp+H"	61.06479
"423302"	159.003588	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+Na+K"	61.952376
"784662"	223.017288	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+Na+K"	61.952376
"1673334"	94.989888	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na+K"	61.952376
"263866"	320.070568	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+ACN+Na"	64.015768
"1236937"	192.043168	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+ACN+Na"	64.015768
"1723636"	192.066693	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+NH4+HCOOH"	64.039293
"1191177"	65.665018	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+3Na"	68.967654
"1663259"	197.022088	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na+HCOOH"	68.994688
"165742"	332.97384	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2K-H"	76.91904
"604211"	461.00124	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2K-H"	76.91904
"1096743"	204.94644	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2K-H"	76.91904
"149915"	166.990558	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"2M+2K"	77.926316
"585101"	231.004258	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"3M+2K"	77.926316
"1078362"	102.976858	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2K"	77.926316
"1103917"	206.960992	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2K+H"	78.933592
"1339209"	207.048607	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+DMSO+H"	79.021207
"1017218"	211.087776	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2ACN+H"	83.060376
"1529145"	212.081408	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+IsoProp+Na+H"	84.054008
"1003256"	106.047526	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+2ACN+2H"	84.067652
"1597756"	212.996028	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K+HCOOH"	84.968628
"1423416"	243.027538	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+H+CF3COOH"	115.000138
"1155892"	126.560801	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+3ACN+2H"	125.094202
"1703255"	260.054085	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+NH4+CF3COOH"	132.026685
"1637816"	265.00948	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+Na+CF3COOH"	136.98208
"1573467"	280.98342	"C16473"	"4-Fluorocatechol"	"C6H5FO2"	"128.0274"	"M+K+CF3COOH"	152.95602
"802739"	160.0172	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M"	0
"985021"	140.99881	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H2O-H"	-19.01839
"72170"	105.670857333333	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-3H"	-3.021828
"515015"	159.009924	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-3H"	-3.021828
"881882"	52.3317906666667	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-3H"	-3.021828
"456"	159.009924	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H"	-2.014552
"442204"	239.018524	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H"	-2.014552
"829846"	79.001324	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H"	-2.014552
"88745"	319.027124	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-H"	-1.007276
"531222"	479.044324	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-H"	-1.007276
"911180"	159.009924	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H"	-1.007276
"62556"	336.053671	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H+NH4"	16.019271
"501505"	496.070871	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H+NH4"	16.019271
"879555"	176.036471	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H+NH4"	16.019271
"46115"	341.009066	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H+Na"	20.974666
"486161"	501.026266	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H+Na"	20.974666
"864164"	180.991866	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H+Na"	20.974666
"1632159"	180.991866	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na-2H"	20.974666
"109053"	176.998263	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-H+Cl"	33.962126
"547641"	257.006863	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-H+Cl"	33.962126
"937875"	96.989663	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+Cl"	33.962126
"279711"	355.003802	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Cl"	34.969402
"674199"	515.021002	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+Cl"	34.969402
"1276883"	194.986602	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl"	34.969402
"22719"	356.983006	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H+K"	36.948606
"459000"	517.000206	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H+K"	36.948606
"834614"	196.965806	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H+K"	36.948606
"1558101"	196.965806	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K-2H"	36.948606
"947078"	205.015394	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+HCOOH"	44.998194
"366387"	365.032601	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+HCOOH-H"	44.998201
"355739"	379.048251	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Hac-H"	59.013851
"1496922"	219.031051	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Hac-H"	59.013851
"962274"	226.997351	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+NaCOOH"	66.980151
"111550"	194.986602	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2Cl"	69.938804
"561317"	274.995202	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2Cl"	69.938804
"1033762"	114.978002	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2Cl"	69.938804
"1251156"	238.936085	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Br"	78.918885
"1312510"	240.992072	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl+HCOOH"	80.974872
"1330007"	262.974029	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl+NaCOOH"	102.956829
"917784"	273.002786	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+CF3COOH"	112.985586
"1294495"	308.979464	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl+CF3COOH"	148.962264
"1371561"	125.004524	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H-2H2O"	-35.012676
"1383588"	143.0145	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H-H2O"	-17.0027
"287652"	321.041676	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H"	1.007276
"680072"	481.058876	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H"	1.007276
"1354235"	161.024476	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H"	1.007276
"130406"	161.024476	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2H"	2.014552
"576527"	241.033076	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2H"	2.014552
"1047513"	81.015876	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2H"	2.014552
"214321"	107.685409333333	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+3H"	3.021828
"657161"	161.024476	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+3H"	3.021828
"1165080"	54.3463426666667	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+3H"	3.021828
"426894"	338.068223	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+NH4"	18.033823
"791898"	498.085423	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+NH4"	18.033823
"1681828"	178.051023	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+NH4"	18.033823
"331159"	169.5377495	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H+NH4"	19.041099
"723046"	249.5463495	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H+NH4"	19.041099
"1477309"	89.5291495	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+NH4"	19.041099
"393037"	343.023618	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Na"	22.989218
"754773"	503.040818	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+Na"	22.989218
"1610534"	183.006418	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na"	22.989218
"328228"	172.015447	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H+Na"	23.996494
"720648"	252.024047	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H+Na"	23.996494
"1471188"	92.006847	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+Na"	23.996494
"1063340"	61.6736566666667	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2H+Na"	25.00377
"1271585"	193.050686	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+CH3OH+H"	33.033486
"389067"	358.997558	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+K"	38.963158
"752980"	519.014758	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+K"	38.963158
"1553209"	198.980358	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K"	38.963158
"311844"	180.002417	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H+K"	39.970434
"704267"	260.011017	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H+K"	39.970434
"1458812"	99.993817	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+K"	39.970434
"248508"	362.068226	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+ACN+H"	42.033826
"1219031"	202.051026	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+ACN+H"	42.033826
"1195013"	101.529151	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+ACN+2H"	43.041102
"189586"	365.00556	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2Na-H"	44.97116
"630240"	525.02276	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2Na-H"	44.97116
"1131586"	204.98836	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2Na-H"	44.97116
"174362"	183.006418	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2Na"	45.978436
"615502"	263.015018	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2Na"	45.978436
"1120469"	102.997818	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2Na"	45.978436
"1402534"	69.0009706666667	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+2Na"	46.985712
"1431733"	207.029946	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+HCOOH"	47.012746
"234201"	188.03944	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+3H2O+2H"	56.04448
"1522993"	221.08199	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+IsoProp+H"	61.06479
"423410"	190.993388	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Na+K"	61.952376
"784408"	271.001988	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+Na+K"	61.952376
"1676724"	110.984788	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na+K"	61.952376
"264340"	384.050168	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+ACN+Na"	64.015768
"1235952"	224.032968	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+ACN+Na"	64.015768
"1724841"	224.056493	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+NH4+HCOOH"	64.039293
"1191289"	76.3282846666667	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+3Na"	68.967654
"1661182"	229.011888	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na+HCOOH"	68.994688
"165852"	396.95344	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2K-H"	76.91904
"604321"	556.97064	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2K-H"	76.91904
"1096853"	236.93624	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2K-H"	76.91904
"150025"	198.980358	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2K"	77.926316
"587398"	278.988958	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2K"	77.926316
"1077379"	118.971758	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2K"	77.926316
"1107307"	238.950792	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2K+H"	78.933592
"1343693"	239.038407	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+DMSO+H"	79.021207
"1014412"	243.077576	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2ACN+H"	83.060376
"1527069"	244.071208	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+IsoProp+Na+H"	84.054008
"1004459"	122.042426	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2ACN+2H"	84.067652
"1597866"	244.985828	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K+HCOOH"	84.968628
"1422433"	275.017338	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+CF3COOH"	115.000138
"1156002"	142.555701	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+3ACN+2H"	125.094202
"1702272"	292.043885	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+NH4+CF3COOH"	132.026685
"1641206"	296.99928	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na+CF3COOH"	136.98208
"1573577"	312.97322	"C16474"	"3-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K+CF3COOH"	152.95602
"802849"	160.0172	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M"	0
"986225"	140.99881	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H2O-H"	-19.01839
"74467"	105.670857333333	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-3H"	-3.021828
"515125"	159.009924	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-3H"	-3.021828
"889647"	52.3317906666667	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-3H"	-3.021828
"4941"	159.009924	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H"	-2.014552
"447782"	239.018524	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H"	-2.014552
"829594"	79.001324	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H"	-2.014552
"90678"	319.027124	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-H"	-1.007276
"531332"	479.044324	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-H"	-1.007276
"910966"	159.009924	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H"	-1.007276
"61698"	336.053671	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H+NH4"	16.019271
"502224"	496.070871	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H+NH4"	16.019271
"879060"	176.036471	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H+NH4"	16.019271
"45746"	341.009066	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H+Na"	20.974666
"486275"	501.026266	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H+Na"	20.974666
"861034"	180.991866	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H+Na"	20.974666
"1632513"	180.991866	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na-2H"	20.974666
"108678"	176.998263	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-H+Cl"	33.962126
"548121"	257.006863	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-H+Cl"	33.962126
"941755"	96.989663	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+Cl"	33.962126
"280674"	355.003802	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Cl"	34.969402
"671150"	515.021002	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+Cl"	34.969402
"1280273"	194.986602	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl"	34.969402
"21736"	356.983006	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M-2H+K"	36.948606
"459110"	517.000206	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M-2H+K"	36.948606
"835815"	196.965806	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-2H+K"	36.948606
"1559304"	196.965806	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K-2H"	36.948606
"949375"	205.015394	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+HCOOH"	44.998194
"369777"	365.032601	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+HCOOH-H"	44.998201
"356942"	379.048251	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Hac-H"	59.013851
"1495939"	219.031051	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Hac-H"	59.013851
"959469"	226.997351	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+NaCOOH"	66.980151
"111417"	194.986602	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2Cl"	69.938804
"555230"	274.995202	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2Cl"	69.938804
"1034967"	114.978002	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2Cl"	69.938804
"1254547"	238.936085	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Br"	78.918885
"1312620"	240.992072	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl+HCOOH"	80.974872
"1334127"	262.974029	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl+NaCOOH"	102.956829
"921905"	273.002786	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M-H+CF3COOH"	112.985586
"1301165"	308.979464	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Cl+CF3COOH"	148.962264
"1378232"	125.004524	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H-2H2O"	-35.012676
"1388073"	143.0145	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H-H2O"	-17.0027
"292137"	321.041676	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H"	1.007276
"680184"	481.058876	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H"	1.007276
"1354345"	161.024476	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H"	1.007276
"130516"	161.024476	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2H"	2.014552
"574450"	241.033076	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2H"	2.014552
"1047624"	81.015876	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2H"	2.014552
"215525"	107.685409333333	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+3H"	3.021828
"653991"	161.024476	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+3H"	3.021828
"1167013"	54.3463426666667	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+3H"	3.021828
"429921"	338.068223	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+NH4"	18.033823
"794195"	498.085423	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+NH4"	18.033823
"1684695"	178.051023	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+NH4"	18.033823
"331880"	169.5377495	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H+NH4"	19.041099
"724419"	249.5463495	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H+NH4"	19.041099
"1477874"	89.5291495	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+NH4"	19.041099
"393885"	343.023618	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Na"	22.989218
"755975"	503.040818	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+Na"	22.989218
"1612831"	183.006418	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na"	22.989218
"326151"	172.015447	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H+Na"	23.996494
"718576"	252.024047	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H+Na"	23.996494
"1473485"	92.006847	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+Na"	23.996494
"1062356"	61.6736566666667	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2H+Na"	25.00377
"1269872"	193.050686	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+CH3OH+H"	33.033486
"389908"	358.997558	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+K"	38.963158
"753581"	519.014758	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+K"	38.963158
"1552226"	198.980358	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K"	38.963158
"312685"	180.002417	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+H+K"	39.970434
"706078"	260.011017	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+H+K"	39.970434
"1458922"	99.993817	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+K"	39.970434
"248618"	362.068226	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+ACN+H"	42.033826
"1219140"	202.051026	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+ACN+H"	42.033826
"1197919"	101.529151	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+ACN+2H"	43.041102
"190789"	365.00556	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2Na-H"	44.97116
"629257"	525.02276	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2Na-H"	44.97116
"1132396"	204.98836	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2Na-H"	44.97116
"174472"	183.006418	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2Na"	45.978436
"615612"	263.015018	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2Na"	45.978436
"1116116"	102.997818	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2Na"	45.978436
"1403008"	69.0009706666667	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+2Na"	46.985712
"1431844"	207.029946	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+HCOOH"	47.012746
"233583"	188.03944	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+3H2O+2H"	56.04448
"1521646"	221.08199	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+IsoProp+H"	61.06479
"422065"	190.993388	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+Na+K"	61.952376
"784517"	271.001988	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+Na+K"	61.952376
"1674647"	110.984788	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na+K"	61.952376
"263354"	384.050168	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+ACN+Na"	64.015768
"1232053"	224.032968	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+ACN+Na"	64.015768
"1720576"	224.056493	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+NH4+HCOOH"	64.039293
"1187025"	76.3282846666667	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+3Na"	68.967654
"1659469"	229.011888	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na+HCOOH"	68.994688
"163776"	396.95344	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2K-H"	76.91904
"606983"	556.97064	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2K-H"	76.91904
"1094776"	236.93624	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2K-H"	76.91904
"144665"	198.980358	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"2M+2K"	77.926316
"584951"	278.988958	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"3M+2K"	77.926316
"1070195"	118.971758	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2K"	77.926316
"1107053"	238.950792	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2K+H"	78.933592
"1338334"	239.038407	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+DMSO+H"	79.021207
"1011239"	243.077576	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2ACN+H"	83.060376
"1527179"	244.071208	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+IsoProp+Na+H"	84.054008
"1004205"	122.042426	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+2ACN+2H"	84.067652
"1594696"	244.985828	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K+HCOOH"	84.968628
"1422543"	275.017338	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+H+CF3COOH"	115.000138
"1156112"	142.555701	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+3ACN+2H"	125.094202
"1704568"	292.043885	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+NH4+CF3COOH"	132.026685
"1641316"	296.99928	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+Na+CF3COOH"	136.98208
"1573687"	312.97322	"C16475"	"2-Fluoro-ciscis-muconate"	"C6H5FO4"	"160.0172"	"M+K+CF3COOH"	152.95602
"809520"	160.0172	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M"	0
"987430"	140.99881	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H2O-H"	-19.01839
"72390"	105.670857333333	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-3H"	-3.021828
"513048"	159.009924	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-3H"	-3.021828
"890848"	52.3317906666667	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-3H"	-3.021828
"12706"	159.009924	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H"	-2.014552
"445704"	239.018524	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H"	-2.014552
"830066"	79.001324	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H"	-2.014552
"88965"	319.027124	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-H"	-1.007276
"531806"	479.044324	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-H"	-1.007276
"910465"	159.009924	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H"	-1.007276
"62291"	336.053671	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H+NH4"	16.019271
"501726"	496.070871	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H+NH4"	16.019271
"878805"	176.036471	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H+NH4"	16.019271
"46957"	341.009066	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H+Na"	20.974666
"486633"	501.026266	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H+Na"	20.974666
"862237"	180.991866	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H+Na"	20.974666
"1632623"	180.991866	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na-2H"	20.974666
"108910"	176.998263	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-H+Cl"	33.962126
"548719"	257.006863	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-H+Cl"	33.962126
"940283"	96.989663	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+Cl"	33.962126
"280663"	355.003802	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Cl"	34.969402
"672353"	515.021002	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+Cl"	34.969402
"1282570"	194.986602	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl"	34.969402
"21846"	356.983006	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H+K"	36.948606
"460313"	517.000206	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H+K"	36.948606
"836654"	196.965806	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H+K"	36.948606
"1560507"	196.965806	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K-2H"	36.948606
"951670"	205.015394	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+HCOOH"	44.998194
"367700"	365.032601	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+HCOOH-H"	44.998201
"355958"	379.048251	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Hac-H"	59.013851
"1499328"	219.031051	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Hac-H"	59.013851
"961401"	226.997351	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+NaCOOH"	66.980151
"111406"	194.986602	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2Cl"	69.938804
"556433"	274.995202	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2Cl"	69.938804
"1034712"	114.978002	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2Cl"	69.938804
"1251377"	238.936085	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Br"	78.918885
"1314917"	240.992072	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl+HCOOH"	80.974872
"1332414"	262.974029	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl+NaCOOH"	102.956829
"918005"	273.002786	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+CF3COOH"	112.985586
"1294714"	308.979464	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl+CF3COOH"	148.962264
"1372874"	125.004524	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H-2H2O"	-35.012676
"1385997"	143.0145	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H-H2O"	-17.0027
"291153"	321.041676	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H"	1.007276
"679200"	481.058876	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H"	1.007276
"1355184"	161.024476	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H"	1.007276
"130990"	161.024476	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2H"	2.014552
"569457"	241.033076	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2H"	2.014552
"1045547"	81.015876	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2H"	2.014552
"213448"	107.685409333333	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+3H"	3.021828
"654101"	161.024476	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+3H"	3.021828
"1166394"	54.3463426666667	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+3H"	3.021828
"431125"	338.068223	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+NH4"	18.033823
"794305"	498.085423	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+NH4"	18.033823
"1684076"	178.051023	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+NH4"	18.033823
"334906"	169.5377495	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H+NH4"	19.041099
"723557"	249.5463495	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H+NH4"	19.041099
"1477253"	89.5291495	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+NH4"	19.041099
"394359"	343.023618	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Na"	22.989218
"756815"	503.040818	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+Na"	22.989218
"1612941"	183.006418	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na"	22.989218
"328330"	172.015447	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H+Na"	23.996494
"720873"	252.024047	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H+Na"	23.996494
"1475418"	92.006847	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+Na"	23.996494
"1062466"	61.6736566666667	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2H+Na"	25.00377
"1271560"	193.050686	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+CH3OH+H"	33.033486
"390383"	358.997558	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+K"	38.963158
"752838"	519.014758	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+K"	38.963158
"1554525"	198.980358	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K"	38.963158
"313159"	180.002417	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H+K"	39.970434
"705945"	260.011017	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H+K"	39.970434
"1459033"	99.993817	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+K"	39.970434
"248730"	362.068226	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+ACN+H"	42.033826
"1218156"	202.051026	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+ACN+H"	42.033826
"1197301"	101.529151	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+ACN+2H"	43.041102
"188955"	365.00556	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2Na-H"	44.97116
"632649"	525.02276	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2Na-H"	44.97116
"1131776"	204.98836	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2Na-H"	44.97116
"172915"	183.006418	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2Na"	45.978436
"616815"	263.015018	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2Na"	45.978436
"1115904"	102.997818	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2Na"	45.978436
"1401294"	69.0009706666667	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+2Na"	46.985712
"1431590"	207.029946	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+HCOOH"	47.012746
"233816"	188.03944	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+3H2O+2H"	56.04448
"1523336"	221.08199	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+IsoProp+H"	61.06479
"422171"	190.993388	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Na+K"	61.952376
"783895"	271.001988	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+Na+K"	61.952376
"1674758"	110.984788	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na+K"	61.952376
"263464"	384.050168	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+ACN+Na"	64.015768
"1232892"	224.032968	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+ACN+Na"	64.015768
"1720686"	224.056493	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+NH4+HCOOH"	64.039293
"1189686"	76.3282846666667	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+3Na"	68.967654
"1662491"	229.011888	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na+HCOOH"	68.994688
"163887"	396.95344	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2K-H"	76.91904
"607460"	556.97064	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2K-H"	76.91904
"1091970"	236.93624	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2K-H"	76.91904
"144775"	198.980358	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2K"	77.926316
"584697"	278.988958	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2K"	77.926316
"1069454"	118.971758	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2K"	77.926316
"1106435"	238.950792	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2K+H"	78.933592
"1337714"	239.038407	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+DMSO+H"	79.021207
"1007703"	243.077576	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2ACN+H"	83.060376
"1528382"	244.071208	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+IsoProp+Na+H"	84.054008
"1003465"	122.042426	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2ACN+2H"	84.067652
"1601365"	244.985828	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K+HCOOH"	84.968628
"1422652"	275.017338	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+CF3COOH"	115.000138
"1159502"	142.555701	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+3ACN+2H"	125.094202
"1702492"	292.043885	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+NH4+CF3COOH"	132.026685
"1641426"	296.99928	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na+CF3COOH"	136.98208
"1573797"	312.97322	"C16476"	"4-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K+CF3COOH"	152.95602
"801975"	160.0172	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M"	0
"986445"	140.99881	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H2O-H"	-19.01839
"71407"	105.670857333333	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-3H"	-3.021828
"512065"	159.009924	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-3H"	-3.021828
"894238"	52.3317906666667	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-3H"	-3.021828
"12816"	159.009924	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H"	-2.014552
"445814"	239.018524	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H"	-2.014552
"829083"	79.001324	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H"	-2.014552
"87982"	319.027124	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-H"	-1.007276
"531795"	479.044324	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-H"	-1.007276
"910696"	159.009924	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H"	-1.007276
"62521"	336.053671	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H+NH4"	16.019271
"502077"	496.070871	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H+NH4"	16.019271
"879643"	176.036471	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H+NH4"	16.019271
"46580"	341.009066	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H+Na"	20.974666
"486704"	501.026266	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H+Na"	20.974666
"862347"	180.991866	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H+Na"	20.974666
"1630788"	180.991866	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na-2H"	20.974666
"106224"	176.998263	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-H+Cl"	33.962126
"549312"	257.006863	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-H+Cl"	33.962126
"939299"	96.989663	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+Cl"	33.962126
"280043"	355.003802	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Cl"	34.969402
"672462"	515.021002	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+Cl"	34.969402
"1275754"	194.986602	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl"	34.969402
"19039"	356.983006	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M-2H+K"	36.948606
"458599"	517.000206	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M-2H+K"	36.948606
"834940"	196.965806	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-2H+K"	36.948606
"1560981"	196.965806	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K-2H"	36.948606
"950686"	205.015394	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+HCOOH"	44.998194
"369996"	365.032601	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+HCOOH-H"	44.998201
"354609"	379.048251	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Hac-H"	59.013851
"1493969"	219.031051	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Hac-H"	59.013851
"961511"	226.997351	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+NaCOOH"	66.980151
"110535"	194.986602	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2Cl"	69.938804
"554357"	274.995202	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2Cl"	69.938804
"1033000"	114.978002	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2Cl"	69.938804
"1250394"	238.936085	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Br"	78.918885
"1315027"	240.992072	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl+HCOOH"	80.974872
"1330337"	262.974029	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl+NaCOOH"	102.956829
"917022"	273.002786	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M-H+CF3COOH"	112.985586
"1294824"	308.979464	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Cl+CF3COOH"	148.962264
"1372985"	125.004524	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H-2H2O"	-35.012676
"1385014"	143.0145	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H-H2O"	-17.0027
"284702"	321.041676	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H"	1.007276
"679310"	481.058876	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H"	1.007276
"1354930"	161.024476	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H"	1.007276
"127817"	161.024476	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2H"	2.014552
"570295"	241.033076	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2H"	2.014552
"1045657"	81.015876	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2H"	2.014552
"213558"	107.685409333333	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+3H"	3.021828
"656398"	161.024476	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+3H"	3.021828
"1169056"	54.3463426666667	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+3H"	3.021828
"429048"	338.068223	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+NH4"	18.033823
"791135"	498.085423	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+NH4"	18.033823
"1682362"	178.051023	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+NH4"	18.033823
"331736"	169.5377495	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H+NH4"	19.041099
"723787"	249.5463495	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H+NH4"	19.041099
"1477976"	89.5291495	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+NH4"	19.041099
"393860"	343.023618	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Na"	22.989218
"758383"	503.040818	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+Na"	22.989218
"1613051"	183.006418	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na"	22.989218
"329166"	172.015447	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H+Na"	23.996494
"721105"	252.024047	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H+Na"	23.996494
"1475892"	92.006847	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+Na"	23.996494
"1062576"	61.6736566666667	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2H+Na"	25.00377
"1269724"	193.050686	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+CH3OH+H"	33.033486
"389764"	358.997558	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+K"	38.963158
"753923"	519.014758	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+K"	38.963158
"1554635"	198.980358	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K"	38.963158
"313394"	180.002417	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+H+K"	39.970434
"706143"	260.011017	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+H+K"	39.970434
"1459872"	99.993817	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+K"	39.970434
"248111"	362.068226	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+ACN+H"	42.033826
"1222277"	202.051026	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+ACN+H"	42.033826
"1198142"	101.529151	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+ACN+2H"	43.041102
"190281"	365.00556	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2Na-H"	44.97116
"633124"	525.02276	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2Na-H"	44.97116
"1132982"	204.98836	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2Na-H"	44.97116
"174448"	183.006418	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2Na"	45.978436
"622030"	263.015018	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2Na"	45.978436
"1118609"	102.997818	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2Na"	45.978436
"1403226"	69.0009706666667	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+2Na"	46.985712
"1433524"	207.029946	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+HCOOH"	47.012746
"234654"	188.03944	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+3H2O+2H"	56.04448
"1522226"	221.08199	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+IsoProp+H"	61.06479
"423008"	190.993388	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+Na+K"	61.952376
"782184"	271.001988	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+Na+K"	61.952376
"1674868"	110.984788	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na+K"	61.952376
"260295"	384.050168	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+ACN+Na"	64.015768
"1233003"	224.032968	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+ACN+Na"	64.015768
"1720796"	224.056493	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+NH4+HCOOH"	64.039293
"1191254"	76.3282846666667	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+3Na"	68.967654
"1659322"	229.011888	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na+HCOOH"	68.994688
"162904"	396.95344	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2K-H"	76.91904
"608298"	556.97064	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2K-H"	76.91904
"1090987"	236.93624	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2K-H"	76.91904
"147072"	198.980358	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"2M+2K"	77.926316
"583351"	278.988958	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"3M+2K"	77.926316
"1071508"	118.971758	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2K"	77.926316
"1102530"	238.950792	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2K+H"	78.933592
"1336365"	239.038407	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+DMSO+H"	79.021207
"1006841"	243.077576	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2ACN+H"	83.060376
"1524474"	244.071208	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+IsoProp+Na+H"	84.054008
"1005399"	122.042426	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+2ACN+2H"	84.067652
"1601112"	244.985828	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K+HCOOH"	84.968628
"1424949"	275.017338	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+H+CF3COOH"	115.000138
"1159612"	142.555701	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+3ACN+2H"	125.094202
"1701509"	292.043885	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+NH4+CF3COOH"	132.026685
"1638256"	296.99928	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+Na+CF3COOH"	136.98208
"1572814"	312.97322	"C16477"	"5-Fluoromuconolactone"	"C6H5FO4"	"160.0172"	"M+K+CF3COOH"	152.95602
"801959"	174.0328	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M"	0
"985463"	155.01441	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H2O-H"	-19.01839
"74797"	115.014590666667	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-3H"	-3.021828
"509988"	173.025524	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-3H"	-3.021828
"894348"	57.0036573333333	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-3H"	-3.021828
"12926"	173.025524	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H"	-2.014552
"454310"	260.041924	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H"	-2.014552
"827006"	86.009124	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H"	-2.014552
"86997"	347.058324	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H"	-1.007276
"531905"	521.091124	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H"	-1.007276
"910077"	173.025524	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H"	-1.007276
"60923"	364.084871	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+NH4"	16.019271
"502068"	538.117671	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+NH4"	16.019271
"879715"	190.052071	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+NH4"	16.019271
"45947"	369.040266	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+Na"	20.974666
"486997"	543.073066	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+Na"	20.974666
"856990"	195.007466	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+Na"	20.974666
"1629805"	195.007466	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na-2H"	20.974666
"103053"	191.013863	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H+Cl"	33.962126
"549865"	278.030263	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H+Cl"	33.962126
"942326"	103.997463	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+Cl"	33.962126
"277966"	383.035002	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Cl"	34.969402
"671479"	557.067802	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Cl"	34.969402
"1278414"	209.002202	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl"	34.969402
"19148"	385.014206	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+K"	36.948606
"459438"	559.047006	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+K"	36.948606
"836146"	210.981406	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+K"	36.948606
"1560727"	210.981406	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K-2H"	36.948606
"948609"	219.030994	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+HCOOH"	44.998194
"370106"	393.063801	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+HCOOH-H"	44.998201
"355083"	407.079451	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Hac-H"	59.013851
"1495170"	233.046651	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Hac-H"	59.013851
"961983"	241.012951	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+NaCOOH"	66.980151
"110764"	209.002202	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Cl"	69.938804
"554467"	296.018602	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Cl"	69.938804
"1030924"	121.985802	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Cl"	69.938804
"1250504"	252.951685	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Br"	78.918885
"1314044"	255.007672	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+HCOOH"	80.974872
"1332999"	276.989629	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+NaCOOH"	102.956829
"917132"	287.018386	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+CF3COOH"	112.985586
"1294934"	322.995064	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+CF3COOH"	148.962264
"1372001"	139.020124	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-2H2O"	-35.012676
"1383543"	157.0301	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-H2O"	-17.0027
"286999"	349.072876	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H"	1.007276
"679419"	523.105676	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H"	1.007276
"1353947"	175.040076	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H"	1.007276
"127927"	175.040076	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2H"	2.014552
"570405"	262.056476	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2H"	2.014552
"1042486"	88.023676	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H"	2.014552
"211481"	117.029142666667	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H"	3.021828
"651041"	175.040076	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+3H"	3.021828
"1171353"	59.0182093333333	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3H"	3.021828
"429522"	366.099423	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+NH4"	18.033823
"789059"	540.132223	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+NH4"	18.033823
"1681428"	192.066623	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4"	18.033823
"333304"	183.5533495	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+NH4"	19.041099
"723249"	270.5697495	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+NH4"	19.041099
"1477720"	96.5369495	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+NH4"	19.041099
"394213"	371.054818	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na"	22.989218
"758494"	545.087618	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na"	22.989218
"1610975"	197.022018	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na"	22.989218
"328548"	186.031047	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+Na"	23.996494
"721092"	273.047447	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+Na"	23.996494
"1471630"	99.014647	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+Na"	23.996494
"1060500"	66.3455233333333	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H+Na"	25.00377
"1268741"	207.066286	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+CH3OH+H"	33.033486
"389875"	387.028758	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+K"	38.963158
"753747"	561.061558	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+K"	38.963158
"1554746"	212.995958	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K"	38.963158
"314154"	194.018017	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+K"	39.970434
"706816"	281.034417	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+K"	39.970434
"1460712"	107.001617	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+K"	39.970434
"248950"	390.099426	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+H"	42.033826
"1223480"	216.066626	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+H"	42.033826
"1198979"	108.536951	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+2H"	43.041102
"192215"	393.03676	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na-H"	44.97116
"630437"	567.06956	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na-H"	44.97116
"1137103"	219.00396	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na-H"	44.97116
"179300"	197.022018	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na"	45.978436
"624327"	284.038418	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na"	45.978436
"1118113"	110.005618	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na"	45.978436
"1400420"	73.6728373333333	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+2Na"	46.985712
"1431322"	221.045546	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+HCOOH"	47.012746
"234275"	202.05504	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H2O+2H"	56.04448
"1523429"	235.09759	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+H"	61.06479
"422151"	205.008988	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na+K"	61.952376
"783021"	292.025388	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na+K"	61.952376
"1674979"	117.992588	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+K"	61.952376
"260406"	412.081368	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+Na"	64.015768
"1231651"	238.048568	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+Na"	64.015768
"1720906"	238.072093	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+HCOOH"	64.039293
"1186259"	81.0001513333333	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3Na"	68.967654
"1660889"	243.027488	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+HCOOH"	68.994688
"163014"	424.98464	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K-H"	76.91904
"607677"	599.01744	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K-H"	76.91904
"1092190"	250.95184	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K-H"	76.91904
"146088"	212.995958	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K"	77.926316
"583461"	300.012358	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K"	77.926316
"1071254"	125.979558	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K"	77.926316
"1102276"	252.966392	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K+H"	78.933592
"1336958"	253.054007	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+DMSO+H"	79.021207
"1006707"	257.093176	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+H"	83.060376
"1525441"	258.086808	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+Na+H"	84.054008
"1003806"	129.050226	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+2H"	84.067652
"1598305"	259.001428	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+HCOOH"	84.968628
"1425059"	289.032938	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+CF3COOH"	115.000138
"1159722"	149.563501	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3ACN+2H"	125.094202
"1701618"	306.059485	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+CF3COOH"	132.026685
"1638366"	311.01488	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+CF3COOH"	136.98208
"1576204"	326.98882	"C16478"	"3-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+CF3COOH"	152.95602
"802195"	174.0328	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M"	0
"989217"	155.01441	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H2O-H"	-19.01839
"76000"	115.014590666667	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-3H"	-3.021828
"510097"	173.025524	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-3H"	-3.021828
"893365"	57.0036573333333	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-3H"	-3.021828
"13765"	173.025524	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H"	-2.014552
"453691"	260.041924	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H"	-2.014552
"832480"	86.009124	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H"	-2.014552
"93680"	347.058324	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H"	-1.007276
"534180"	521.091124	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H"	-1.007276
"911002"	173.025524	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H"	-1.007276
"62705"	364.084871	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+NH4"	16.019271
"502593"	538.117671	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+NH4"	16.019271
"879372"	190.052071	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+NH4"	16.019271
"46747"	369.040266	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+Na"	20.974666
"484765"	543.073066	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+Na"	20.974666
"861474"	195.007466	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+Na"	20.974666
"1634152"	195.007466	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na-2H"	20.974666
"109690"	191.013863	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H+Cl"	33.962126
"547099"	278.030263	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H+Cl"	33.962126
"940614"	103.997463	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+Cl"	33.962126
"271880"	383.035002	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Cl"	34.969402
"666125"	557.067802	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Cl"	34.969402
"1280714"	209.002202	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl"	34.969402
"18165"	385.014206	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+K"	36.948606
"458817"	559.047006	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+K"	36.948606
"837350"	210.981406	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+K"	36.948606
"1557557"	210.981406	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K-2H"	36.948606
"946534"	219.030994	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+HCOOH"	44.998194
"369123"	393.063801	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+HCOOH-H"	44.998201
"348629"	407.079451	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Hac-H"	59.013851
"1494548"	233.046651	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Hac-H"	59.013851
"958849"	241.012951	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+NaCOOH"	66.980151
"111978"	209.002202	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Cl"	69.938804
"560046"	296.018602	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Cl"	69.938804
"1033220"	121.985802	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Cl"	69.938804
"1253894"	252.951685	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Br"	78.918885
"1314154"	255.007672	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+HCOOH"	80.974872
"1331650"	276.989629	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+NaCOOH"	102.956829
"914325"	287.018386	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+CF3COOH"	112.985586
"1290303"	322.995064	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+CF3COOH"	148.962264
"1369193"	139.020124	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-2H2O"	-35.012676
"1388511"	157.0301	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-H2O"	-17.0027
"284310"	349.072876	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H"	1.007276
"677341"	523.105676	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H"	1.007276
"1358068"	175.040076	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H"	1.007276
"129864"	175.040076	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2H"	2.014552
"574892"	262.056476	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2H"	2.014552
"1042597"	88.023676	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H"	2.014552
"209404"	117.029142666667	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H"	3.021828
"648599"	175.040076	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+3H"	3.021828
"1166360"	59.0182093333333	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3H"	3.021828
"427445"	366.099423	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+NH4"	18.033823
"788074"	540.132223	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+NH4"	18.033823
"1681446"	192.066623	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4"	18.033823
"331590"	183.5533495	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+NH4"	19.041099
"723074"	270.5697495	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+NH4"	19.041099
"1477262"	96.5369495	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+NH4"	19.041099
"392901"	371.054818	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na"	22.989218
"756782"	545.087618	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na"	22.989218
"1612178"	197.022018	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na"	22.989218
"327685"	186.031047	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+Na"	23.996494
"721200"	273.047447	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+Na"	23.996494
"1472833"	99.014647	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+Na"	23.996494
"1061704"	66.3455233333333	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H+Na"	25.00377
"1268851"	207.066286	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+CH3OH+H"	33.033486
"387426"	387.028758	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+K"	38.963158
"749515"	561.061558	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+K"	38.963158
"1555388"	212.995958	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K"	38.963158
"314243"	194.018017	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+K"	39.970434
"707046"	281.034417	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+K"	39.970434
"1460784"	107.001617	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+K"	39.970434
"250153"	390.099426	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+H"	42.033826
"1220310"	216.066626	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+H"	42.033826
"1199453"	108.536951	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+2H"	43.041102
"193418"	393.03676	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na-H"	44.97116
"630425"	567.06956	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na-H"	44.97116
"1138306"	219.00396	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na-H"	44.97116
"182690"	197.022018	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na"	45.978436
"625167"	284.038418	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na"	45.978436
"1119922"	110.005618	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na"	45.978436
"1400894"	73.6728373333333	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+2Na"	46.985712
"1431920"	221.045546	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+HCOOH"	47.012746
"235360"	202.05504	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H2O+2H"	56.04448
"1523296"	235.09759	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+H"	61.06479
"423676"	205.008988	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na+K"	61.952376
"785571"	292.025388	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na+K"	61.952376
"1678368"	117.992588	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+K"	61.952376
"266670"	412.081368	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+Na"	64.015768
"1236136"	238.048568	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+Na"	64.015768
"1725026"	238.072093	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+HCOOH"	64.039293
"1190014"	81.0001513333333	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3Na"	68.967654
"1660635"	243.027488	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+HCOOH"	68.994688
"170416"	424.98464	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K-H"	76.91904
"610340"	599.01744	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K-H"	76.91904
"1095580"	250.95184	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K-H"	76.91904
"148385"	212.995958	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K"	77.926316
"586851"	300.012358	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K"	77.926316
"1071364"	125.979558	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K"	77.926316
"1105666"	252.966392	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K+H"	78.933592
"1336705"	253.054007	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+DMSO+H"	79.021207
"1007426"	257.093176	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+H"	83.060376
"1525668"	258.086808	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+Na+H"	84.054008
"1004768"	129.050226	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+2H"	84.067652
"1598415"	259.001428	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+HCOOH"	84.968628
"1421889"	289.032938	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+CF3COOH"	115.000138
"1159832"	149.563501	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3ACN+2H"	125.094202
"1701731"	306.059485	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+CF3COOH"	132.026685
"1638476"	311.01488	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+CF3COOH"	136.98208
"1576314"	326.98882	"C16479"	"5-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+CF3COOH"	152.95602
"801421"	174.0328	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M"	0
"976932"	155.01441	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H2O-H"	-19.01839
"66267"	115.014590666667	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-3H"	-3.021828
"515309"	173.025524	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-3H"	-3.021828
"891288"	57.0036573333333	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-3H"	-3.021828
"13874"	173.025524	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H"	-2.014552
"454165"	260.041924	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H"	-2.014552
"832705"	86.009124	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H"	-2.014552
"94236"	347.058324	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H"	-1.007276
"534150"	521.091124	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H"	-1.007276
"911071"	173.025524	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H"	-1.007276
"61998"	364.084871	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+NH4"	16.019271
"502579"	538.117671	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+NH4"	16.019271
"878752"	190.052071	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+NH4"	16.019271
"46047"	369.040266	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+Na"	20.974666
"485241"	543.073066	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+Na"	20.974666
"858304"	195.007466	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+Na"	20.974666
"1634003"	195.007466	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na-2H"	20.974666
"108014"	191.013863	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H+Cl"	33.962126
"546845"	278.030263	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H+Cl"	33.962126
"936351"	103.997463	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+Cl"	33.962126
"271626"	383.035002	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Cl"	34.969402
"664047"	557.067802	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Cl"	34.969402
"1275356"	209.002202	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl"	34.969402
"19006"	385.014206	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+K"	36.948606
"459292"	559.047006	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+K"	36.948606
"836367"	210.981406	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+K"	36.948606
"1556937"	210.981406	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K-2H"	36.948606
"946644"	219.030994	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+HCOOH"	44.998194
"368140"	393.063801	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+HCOOH-H"	44.998201
"347646"	407.079451	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Hac-H"	59.013851
"1493930"	233.046651	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Hac-H"	59.013851
"958606"	241.012951	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+NaCOOH"	66.980151
"111846"	209.002202	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Cl"	69.938804
"560156"	296.018602	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Cl"	69.938804
"1033330"	121.985802	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Cl"	69.938804
"1254004"	252.951685	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Br"	78.918885
"1314264"	255.007672	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+HCOOH"	80.974872
"1330667"	276.989629	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+NaCOOH"	102.956829
"914435"	287.018386	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+CF3COOH"	112.985586
"1290413"	322.995064	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+CF3COOH"	148.962264
"1369303"	139.020124	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-2H2O"	-35.012676
"1387528"	157.0301	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-H2O"	-17.0027
"283043"	349.072876	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H"	1.007276
"680730"	523.105676	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H"	1.007276
"1355988"	175.040076	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H"	1.007276
"128876"	175.040076	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2H"	2.014552
"567346"	262.056476	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2H"	2.014552
"1039424"	88.023676	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H"	2.014552
"207327"	117.029142666667	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H"	3.021828
"649075"	175.040076	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+3H"	3.021828
"1166106"	59.0182093333333	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3H"	3.021828
"425368"	366.099423	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+NH4"	18.033823
"786239"	540.132223	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+NH4"	18.033823
"1681354"	192.066623	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4"	18.033823
"330604"	183.5533495	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+NH4"	19.041099
"723388"	270.5697495	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+NH4"	19.041099
"1477936"	96.5369495	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+NH4"	19.041099
"393577"	371.054818	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na"	22.989218
"756163"	545.087618	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na"	22.989218
"1613381"	197.022018	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na"	22.989218
"327796"	186.031047	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+Na"	23.996494
"718398"	273.047447	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+Na"	23.996494
"1472943"	99.014647	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+Na"	23.996494
"1061814"	66.3455233333333	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H+Na"	25.00377
"1270056"	207.066286	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+CH3OH+H"	33.033486
"387536"	387.028758	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+K"	38.963158
"749991"	561.061558	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+K"	38.963158
"1554967"	212.995958	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K"	38.963158
"313966"	194.018017	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+K"	39.970434
"706634"	281.034417	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+K"	39.970434
"1460812"	107.001617	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+K"	39.970434
"248806"	390.099426	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+H"	42.033826
"1220420"	216.066626	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+H"	42.033826
"1198470"	108.536951	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+2H"	43.041102
"189519"	393.03676	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na-H"	44.97116
"629116"	567.06956	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na-H"	44.97116
"1140603"	219.00396	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na-H"	44.97116
"183894"	197.022018	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na"	45.978436
"626372"	284.038418	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na"	45.978436
"1118212"	110.005618	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na"	45.978436
"1400643"	73.6728373333333	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+2Na"	46.985712
"1431666"	221.045546	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+HCOOH"	47.012746
"227927"	202.05504	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H2O+2H"	56.04448
"1518178"	235.09759	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+H"	61.06479
"414585"	205.008988	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na+K"	61.952376
"778861"	292.025388	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na+K"	61.952376
"1676293"	117.992588	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+K"	61.952376
"265725"	412.081368	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+Na"	64.015768
"1236246"	238.048568	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+Na"	64.015768
"1725500"	238.072093	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+HCOOH"	64.039293
"1190489"	81.0001513333333	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3Na"	68.967654
"1660745"	243.027488	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+HCOOH"	68.994688
"169433"	424.98464	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K-H"	76.91904
"608263"	599.01744	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K-H"	76.91904
"1094597"	250.95184	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K-H"	76.91904
"146308"	212.995958	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K"	77.926316
"586961"	300.012358	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K"	77.926316
"1071474"	125.979558	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K"	77.926316
"1105776"	252.966392	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K+H"	78.933592
"1337302"	253.054007	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+DMSO+H"	79.021207
"1008508"	257.093176	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+H"	83.060376
"1527725"	258.086808	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+Na+H"	84.054008
"1005366"	129.050226	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+2H"	84.067652
"1598525"	259.001428	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+HCOOH"	84.968628
"1420906"	289.032938	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+CF3COOH"	115.000138
"1156662"	149.563501	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3ACN+2H"	125.094202
"1700748"	306.059485	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+CF3COOH"	132.026685
"1638586"	311.01488	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+CF3COOH"	136.98208
"1576424"	326.98882	"C16480"	"4-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+CF3COOH"	152.95602
"802415"	174.0328	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M"	0
"980322"	155.01441	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H2O-H"	-19.01839
"70750"	115.014590666667	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-3H"	-3.021828
"516512"	173.025524	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-3H"	-3.021828
"891398"	57.0036573333333	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-3H"	-3.021828
"12891"	173.025524	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H"	-2.014552
"453670"	260.041924	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H"	-2.014552
"832369"	86.009124	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H"	-2.014552
"93778"	347.058324	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H"	-1.007276
"533704"	521.091124	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H"	-1.007276
"910533"	173.025524	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H"	-1.007276
"61257"	364.084871	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+NH4"	16.019271
"502527"	538.117671	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+NH4"	16.019271
"878378"	190.052071	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+NH4"	16.019271
"45670"	369.040266	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+Na"	20.974666
"484622"	543.073066	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+Na"	20.974666
"858414"	195.007466	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+Na"	20.974666
"1629772"	195.007466	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na-2H"	20.974666
"102291"	191.013863	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H+Cl"	33.962126
"542944"	278.030263	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H+Cl"	33.962126
"937554"	103.997463	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+Cl"	33.962126
"278298"	383.035002	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Cl"	34.969402
"663428"	557.067802	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Cl"	34.969402
"1275101"	209.002202	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl"	34.969402
"19116"	385.014206	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+K"	36.948606
"463048"	559.047006	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+K"	36.948606
"841944"	210.981406	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+K"	36.948606
"1562153"	210.981406	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K-2H"	36.948606
"944569"	219.030994	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+HCOOH"	44.998194
"364970"	393.063801	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+HCOOH-H"	44.998201
"351040"	407.079451	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Hac-H"	59.013851
"1496594"	233.046651	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Hac-H"	59.013851
"960858"	241.012951	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+NaCOOH"	66.980151
"110287"	209.002202	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Cl"	69.938804
"555890"	296.018602	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Cl"	69.938804
"1033439"	121.985802	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Cl"	69.938804
"1248647"	252.951685	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Br"	78.918885
"1308907"	255.007672	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+HCOOH"	80.974872
"1325310"	276.989629	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+NaCOOH"	102.956829
"913814"	287.018386	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+CF3COOH"	112.985586
"1290521"	322.995064	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+CF3COOH"	148.962264
"1369413"	139.020124	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-2H2O"	-35.012676
"1385451"	157.0301	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-H2O"	-17.0027
"286233"	349.072876	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H"	1.007276
"683027"	523.105676	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H"	1.007276
"1361564"	175.040076	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H"	1.007276
"130079"	175.040076	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2H"	2.014552
"568550"	262.056476	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2H"	2.014552
"1041722"	88.023676	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H"	2.014552
"209623"	117.029142666667	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H"	3.021828
"650277"	175.040076	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+3H"	3.021828
"1166216"	59.0182093333333	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3H"	3.021828
"426570"	366.099423	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+NH4"	18.033823
"789023"	540.132223	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+NH4"	18.033823
"1682799"	192.066623	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4"	18.033823
"331078"	183.5533495	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+NH4"	19.041099
"724106"	270.5697495	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+NH4"	19.041099
"1478168"	96.5369495	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+NH4"	19.041099
"394175"	371.054818	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na"	22.989218
"759918"	545.087618	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na"	22.989218
"1613127"	197.022018	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na"	22.989218
"328268"	186.031047	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+Na"	23.996494
"719239"	273.047447	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+Na"	23.996494
"1474877"	99.014647	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+Na"	23.996494
"1064109"	66.3455233333333	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H+Na"	25.00377
"1269071"	207.066286	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+CH3OH+H"	33.033486
"386551"	387.028758	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+K"	38.963158
"750465"	561.061558	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+K"	38.963158
"1554962"	212.995958	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K"	38.963158
"313798"	194.018017	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+K"	39.970434
"706862"	281.034417	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+K"	39.970434
"1460802"	107.001617	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+K"	39.970434
"250742"	390.099426	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+H"	42.033826
"1224299"	216.066626	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+H"	42.033826
"1199310"	108.536951	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+2H"	43.041102
"194368"	393.03676	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na-H"	44.97116
"633928"	567.06956	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na-H"	44.97116
"1143994"	219.00396	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na-H"	44.97116
"188016"	197.022018	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na"	45.978436
"625388"	284.038418	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na"	45.978436
"1123790"	110.005618	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na"	45.978436
"1405127"	73.6728373333333	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+2Na"	46.985712
"1432868"	221.045546	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+HCOOH"	47.012746
"226944"	202.05504	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H2O+2H"	56.04448
"1518288"	235.09759	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+H"	61.06479
"414696"	205.008988	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na+K"	61.952376
"776785"	292.025388	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na+K"	61.952376
"1677497"	117.992588	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+K"	61.952376
"264744"	412.081368	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+Na"	64.015768
"1238182"	238.048568	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+Na"	64.015768
"1725613"	238.072093	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+HCOOH"	64.039293
"1193761"	81.0001513333333	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3Na"	68.967654
"1661222"	243.027488	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+HCOOH"	68.994688
"168815"	424.98464	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K-H"	76.91904
"609832"	599.01744	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K-H"	76.91904
"1094344"	250.95184	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K-H"	76.91904
"151524"	212.995958	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K"	77.926316
"593999"	300.012358	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K"	77.926316
"1075230"	125.979558	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K"	77.926316
"1110627"	252.966392	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K+H"	78.933592
"1344822"	253.054007	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+DMSO+H"	79.021207
"1012986"	257.093176	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+H"	83.060376
"1525649"	258.086808	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+Na+H"	84.054008
"990517"	129.050226	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+2H"	84.067652
"1590252"	259.001428	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+HCOOH"	84.968628
"1417736"	289.032938	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+CF3COOH"	115.000138
"1154586"	149.563501	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3ACN+2H"	125.094202
"1700858"	306.059485	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+CF3COOH"	132.026685
"1638696"	311.01488	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+CF3COOH"	136.98208
"1576534"	326.98882	"C16481"	"6-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+CF3COOH"	152.95602
"804712"	174.0328	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M"	0
"981525"	155.01441	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H2O-H"	-19.01839
"69767"	115.014590666667	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-3H"	-3.021828
"516986"	173.025524	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-3H"	-3.021828
"891508"	57.0036573333333	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-3H"	-3.021828
"13367"	173.025524	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H"	-2.014552
"454510"	260.041924	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H"	-2.014552
"831349"	86.009124	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H"	-2.014552
"93888"	347.058324	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H"	-1.007276
"533814"	521.091124	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H"	-1.007276
"909793"	173.025524	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H"	-1.007276
"60396"	364.084871	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+NH4"	16.019271
"502719"	538.117671	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+NH4"	16.019271
"877759"	190.052071	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+NH4"	16.019271
"45173"	369.040266	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+Na"	20.974666
"484004"	543.073066	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+Na"	20.974666
"858524"	195.007466	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+Na"	20.974666
"1631341"	195.007466	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na-2H"	20.974666
"103494"	191.013863	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-H+Cl"	33.962126
"543054"	278.030263	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-H+Cl"	33.962126
"939123"	103.997463	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+Cl"	33.962126
"278408"	383.035002	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Cl"	34.969402
"661714"	557.067802	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Cl"	34.969402
"1273755"	209.002202	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl"	34.969402
"17400"	385.014206	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M-2H+K"	36.948606
"457328"	559.047006	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M-2H+K"	36.948606
"839869"	210.981406	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-2H+K"	36.948606
"1563357"	210.981406	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K-2H"	36.948606
"944678"	219.030994	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+HCOOH"	44.998194
"367267"	393.063801	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+HCOOH-H"	44.998201
"347870"	407.079451	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Hac-H"	59.013851
"1494517"	233.046651	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Hac-H"	59.013851
"962060"	241.012951	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+NaCOOH"	66.980151
"110358"	209.002202	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Cl"	69.938804
"556000"	296.018602	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Cl"	69.938804
"1028081"	121.985802	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Cl"	69.938804
"1248757"	252.951685	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Br"	78.918885
"1310110"	255.007672	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+HCOOH"	80.974872
"1323233"	276.989629	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+NaCOOH"	102.956829
"912707"	287.018386	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M-H+CF3COOH"	112.985586
"1290626"	322.995064	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Cl+CF3COOH"	148.962264
"1369882"	139.020124	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-2H2O"	-35.012676
"1385192"	157.0301	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H-H2O"	-17.0027
"285250"	349.072876	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H"	1.007276
"682044"	523.105676	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H"	1.007276
"1358394"	175.040076	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H"	1.007276
"128000"	175.040076	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2H"	2.014552
"566834"	262.056476	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2H"	2.014552
"1039277"	88.023676	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H"	2.014552
"207176"	117.029142666667	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H"	3.021828
"646375"	175.040076	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+3H"	3.021828
"1165231"	59.0182093333333	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3H"	3.021828
"425948"	366.099423	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+NH4"	18.033823
"787673"	540.132223	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+NH4"	18.033823
"1681692"	192.066623	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4"	18.033823
"330333"	183.5533495	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+NH4"	19.041099
"723484"	270.5697495	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+NH4"	19.041099
"1477913"	96.5369495	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+NH4"	19.041099
"393675"	371.054818	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na"	22.989218
"757111"	545.087618	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na"	22.989218
"1612508"	197.022018	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na"	22.989218
"321449"	186.031047	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+Na"	23.996494
"712779"	273.047447	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+Na"	23.996494
"1470974"	99.014647	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+Na"	23.996494
"1063126"	66.3455233333333	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2H+Na"	25.00377
"1268454"	207.066286	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+CH3OH+H"	33.033486
"386661"	387.028758	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+K"	38.963158
"750940"	561.061558	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+K"	38.963158
"1555316"	212.995958	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K"	38.963158
"313945"	194.018017	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+H+K"	39.970434
"706609"	281.034417	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+H+K"	39.970434
"1459697"	107.001617	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+K"	39.970434
"250365"	390.099426	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+H"	42.033826
"1222464"	216.066626	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+H"	42.033826
"1198690"	108.536951	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+2H"	43.041102
"191198"	393.03676	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na-H"	44.97116
"636224"	567.06956	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na-H"	44.97116
"1144833"	219.00396	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na-H"	44.97116
"186181"	197.022018	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2Na"	45.978436
"627807"	284.038418	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2Na"	45.978436
"1128274"	110.005618	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2Na"	45.978436
"1407424"	73.6728373333333	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+2Na"	46.985712
"1434071"	221.045546	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+HCOOH"	47.012746
"228147"	202.05504	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+3H2O+2H"	56.04448
"1519491"	235.09759	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+H"	61.06479
"415899"	205.008988	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+Na+K"	61.952376
"780174"	292.025388	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+Na+K"	61.952376
"1679795"	117.992588	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+K"	61.952376
"263396"	412.081368	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+ACN+Na"	64.015768
"1239385"	238.048568	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+ACN+Na"	64.015768
"1726086"	238.072093	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+HCOOH"	64.039293
"1192533"	81.0001513333333	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3Na"	68.967654
"1661696"	243.027488	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+HCOOH"	68.994688
"166007"	424.98464	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K-H"	76.91904
"608484"	599.01744	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K-H"	76.91904
"1094088"	250.95184	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K-H"	76.91904
"152362"	212.995958	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"2M+2K"	77.926316
"592286"	300.012358	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"3M+2K"	77.926316
"1074975"	125.979558	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K"	77.926316
"1109276"	252.966392	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2K+H"	78.933592
"1344566"	253.054007	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+DMSO+H"	79.021207
"1007629"	257.093176	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+H"	83.060376
"1526852"	258.086808	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+IsoProp+Na+H"	84.054008
"992207"	129.050226	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+2ACN+2H"	84.067652
"1589633"	259.001428	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+HCOOH"	84.968628
"1417117"	289.032938	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+H+CF3COOH"	115.000138
"1156882"	149.563501	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+3ACN+2H"	125.094202
"1700968"	306.059485	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+NH4+CF3COOH"	132.026685
"1638806"	311.01488	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+Na+CF3COOH"	136.98208
"1576644"	326.98882	"C16482"	"2-Fluorocyclohexadiene-ciscis-12-diol-1-carboxylate"	"C7H7FO4"	"174.0328"	"M+K+CF3COOH"	152.95602
"802148"	130.043	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M"	0
"980542"	111.02461	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H2O-H"	-19.01839
"69877"	85.6880573333333	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-3H"	-3.021828
"513816"	129.035724	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-3H"	-3.021828
"888337"	42.3403906666667	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-3H"	-3.021828
"12382"	129.035724	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H"	-2.014552
"449754"	194.057224	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H"	-2.014552
"832271"	64.014224	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H"	-2.014552
"93035"	259.078724	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-H"	-1.007276
"533918"	389.121724	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-H"	-1.007276
"911154"	129.035724	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H"	-1.007276
"62218"	276.105271	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H+NH4"	16.019271
"501781"	406.148271	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H+NH4"	16.019271
"879577"	146.062271	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H+NH4"	16.019271
"46392"	281.060666	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H+Na"	20.974666
"486434"	411.103666	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H+Na"	20.974666
"863630"	151.017666	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H+Na"	20.974666
"1633517"	151.017666	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na-2H"	20.974666
"104698"	147.024063	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-H+Cl"	33.962126
"547173"	212.045563	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-H+Cl"	33.962126
"942477"	82.002563	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+Cl"	33.962126
"280704"	295.055402	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Cl"	34.969402
"664379"	425.098402	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+Cl"	34.969402
"1277876"	165.012402	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl"	34.969402
"17879"	297.034606	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H+K"	36.948606
"465457"	427.077606	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H+K"	36.948606
"841073"	166.991606	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H+K"	36.948606
"1564561"	166.991606	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K-2H"	36.948606
"948070"	175.041194	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+HCOOH"	44.998194
"368472"	305.084201	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+HCOOH-H"	44.998201
"350168"	319.099851	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Hac-H"	59.013851
"1494625"	189.056851	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Hac-H"	59.013851
"960345"	197.023151	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+NaCOOH"	66.980151
"110593"	165.012402	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2Cl"	69.938804
"556110"	230.033902	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2Cl"	69.938804
"1032565"	99.990902	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2Cl"	69.938804
"1247771"	208.961885	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Br"	78.918885
"1310220"	211.017872	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl+HCOOH"	80.974872
"1320424"	232.999829	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl+NaCOOH"	102.956829
"914035"	243.028586	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+CF3COOH"	112.985586
"1289280"	279.005264	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl+CF3COOH"	148.962264
"1368535"	95.030324	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H-2H2O"	-35.012676
"1382873"	113.0403	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H-H2O"	-17.0027
"283536"	261.093276	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H"	1.007276
"676685"	391.136276	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H"	1.007276
"1354494"	131.050276	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H"	1.007276
"127379"	131.050276	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2H"	2.014552
"568767"	196.071776	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2H"	2.014552
"1041576"	66.028776	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2H"	2.014552
"206556"	87.7026093333333	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+3H"	3.021828
"646849"	131.050276	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+3H"	3.021828
"1166069"	44.3549426666667	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+3H"	3.021828
"425694"	278.119823	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+NH4"	18.033823
"789242"	408.162823	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+NH4"	18.033823
"1682657"	148.076823	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+NH4"	18.033823
"330119"	139.5635495	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H+NH4"	19.041099
"722990"	204.5850495	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H+NH4"	19.041099
"1477782"	74.5420495	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+NH4"	19.041099
"393343"	283.075218	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Na"	22.989218
"754459"	413.118218	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+Na"	22.989218
"1603855"	153.032218	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na"	22.989218
"324837"	142.041247	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H+Na"	23.996494
"715072"	207.062747	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H+Na"	23.996494
"1466707"	77.019747	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+Na"	23.996494
"1056669"	51.6822566666667	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2H+Na"	25.00377
"1262726"	163.076486	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+CH3OH+H"	33.033486
"383489"	299.049158	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+K"	38.963158
"744481"	429.092158	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+K"	38.963158
"1554562"	169.006158	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K"	38.963158
"308091"	150.028217	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H+K"	39.970434
"701606"	215.049717	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H+K"	39.970434
"1453239"	85.006717	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+K"	39.970434
"244028"	302.119826	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+ACN+H"	42.033826
"1220016"	172.076826	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+ACN+H"	42.033826
"1203902"	86.542051	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+ACN+2H"	43.041102
"200053"	305.05716	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2Na-H"	44.97116
"641801"	435.10016	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2Na-H"	44.97116
"1140933"	175.01416	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2Na-H"	44.97116
"177299"	153.032218	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2Na"	45.978436
"622690"	218.053718	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2Na"	45.978436
"1121822"	88.010718	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2Na"	45.978436
"1404251"	59.0095706666667	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+2Na"	46.985712
"1434181"	177.055746	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+HCOOH"	47.012746
"228257"	158.06524	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+3H2O+2H"	56.04448
"1519601"	191.10779	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+IsoProp+H"	61.06479
"417102"	161.019188	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Na+K"	61.952376
"780284"	226.040688	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+Na+K"	61.952376
"1679544"	95.997688	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na+K"	61.952376
"265694"	324.101768	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+ACN+Na"	64.015768
"1240107"	194.058768	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+ACN+Na"	64.015768
"1727534"	194.082293	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+NH4+HCOOH"	64.039293
"1193907"	66.3368846666667	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+3Na"	68.967654
"1664726"	199.037688	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na+HCOOH"	68.994688
"169763"	337.00504	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2K-H"	76.91904
"610781"	467.04804	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2K-H"	76.91904
"1097479"	206.96204	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2K-H"	76.91904
"154659"	169.006158	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2K"	77.926316
"593490"	234.027658	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2K"	77.926316
"1080187"	103.984658	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2K"	77.926316
"1109386"	208.976592	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2K+H"	78.933592
"1340303"	209.064207	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+DMSO+H"	79.021207
"1012114"	213.103376	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2ACN+H"	83.060376
"1528055"	214.097008	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+IsoProp+Na+H"	84.054008
"993410"	107.055326	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2ACN+2H"	84.067652
"1602264"	215.011628	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K+HCOOH"	84.968628
"1423424"	245.043138	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+CF3COOH"	115.000138
"1155899"	127.568601	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+3ACN+2H"	125.094202
"1701078"	262.069685	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+NH4+CF3COOH"	132.026685
"1638916"	267.02508	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na+CF3COOH"	136.98208
"1576754"	282.99902	"C16483"	"4-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K+CF3COOH"	152.95602
"802016"	130.043	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M"	0
"983932"	111.02461	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H2O-H"	-19.01839
"69987"	85.6880573333333	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-3H"	-3.021828
"510645"	129.035724	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-3H"	-3.021828
"880018"	42.3403906666667	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-3H"	-3.021828
"5928"	129.035724	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H"	-2.014552
"443303"	194.057224	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H"	-2.014552
"824385"	64.014224	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H"	-2.014552
"94247"	259.078724	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-H"	-1.007276
"533539"	389.121724	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-H"	-1.007276
"908301"	129.035724	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H"	-1.007276
"62775"	276.105271	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H+NH4"	16.019271
"502706"	406.148271	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H+NH4"	16.019271
"879198"	146.062271	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H+NH4"	16.019271
"47070"	281.060666	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H+Na"	20.974666
"486739"	411.103666	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H+Na"	20.974666
"864107"	151.017666	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H+Na"	20.974666
"1632290"	151.017666	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na-2H"	20.974666
"104808"	147.024063	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-H+Cl"	33.962126
"545461"	212.045563	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-H+Cl"	33.962126
"937883"	82.002563	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+Cl"	33.962126
"277533"	295.055402	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Cl"	34.969402
"664489"	425.098402	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+Cl"	34.969402
"1277986"	165.012402	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl"	34.969402
"18355"	297.034606	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M-2H+K"	36.948606
"468848"	427.077606	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M-2H+K"	36.948606
"841183"	166.991606	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-2H+K"	36.948606
"1559205"	166.991606	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K-2H"	36.948606
"948180"	175.041194	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+HCOOH"	44.998194
"366396"	305.084201	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+HCOOH-H"	44.998201
"350279"	319.099851	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Hac-H"	59.013851
"1494006"	189.056851	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Hac-H"	59.013851
"959362"	197.023151	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+NaCOOH"	66.980151
"110580"	165.012402	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2Cl"	69.938804
"556220"	230.033902	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2Cl"	69.938804
"1034861"	99.990902	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2Cl"	69.938804
"1244601"	208.961885	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Br"	78.918885
"1310330"	211.017872	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl+HCOOH"	80.974872
"1320170"	232.999829	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl+NaCOOH"	102.956829
"914145"	243.028586	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M-H+CF3COOH"	112.985586
"1289028"	279.005264	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Cl+CF3COOH"	148.962264
"1368280"	95.030324	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H-2H2O"	-35.012676
"1383592"	113.0403	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H-H2O"	-17.0027
"284375"	261.093276	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H"	1.007276
"680075"	391.136276	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H"	1.007276
"1352781"	131.050276	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H"	1.007276
"126760"	131.050276	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2H"	2.014552
"568513"	196.071776	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2H"	2.014552
"1040226"	66.028776	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2H"	2.014552
"207029"	87.7026093333333	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+3H"	3.021828
"646595"	131.050276	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+3H"	3.021828
"1166178"	44.3549426666667	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+3H"	3.021828
"425803"	278.119823	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+NH4"	18.033823
"787164"	408.162823	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+NH4"	18.033823
"1682401"	148.076823	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+NH4"	18.033823
"330351"	139.5635495	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H+NH4"	19.041099
"723467"	204.5850495	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H+NH4"	19.041099
"1477405"	74.5420495	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+NH4"	19.041099
"393001"	283.075218	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Na"	22.989218
"755138"	413.118218	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+Na"	22.989218
"1603966"	153.032218	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na"	22.989218
"321667"	142.041247	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H+Na"	23.996494
"711901"	207.062747	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H+Na"	23.996494
"1467910"	77.019747	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+Na"	23.996494
"1055686"	51.6822566666667	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2H+Na"	25.00377
"1262836"	163.076486	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+CH3OH+H"	33.033486
"382503"	299.049158	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+K"	38.963158
"747871"	429.092158	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+K"	38.963158
"1552849"	169.006158	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K"	38.963158
"311116"	150.028217	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+H+K"	39.970434
"698434"	215.049717	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+H+K"	39.970434
"1453349"	85.006717	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+K"	39.970434
"248512"	302.119826	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+ACN+H"	42.033826
"1221950"	172.076826	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+ACN+H"	42.033826
"1206199"	86.542051	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+ACN+2H"	43.041102
"202350"	305.05716	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2Na-H"	44.97116
"641910"	435.10016	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2Na-H"	44.97116
"1144931"	175.01416	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2Na-H"	44.97116
"187984"	153.032218	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2Na"	45.978436
"622800"	218.053718	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2Na"	45.978436
"1124119"	88.010718	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2Na"	45.978436
"1404361"	59.0095706666667	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+2Na"	46.985712
"1439759"	177.055746	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+HCOOH"	47.012746
"228367"	158.06524	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+3H2O+2H"	56.04448
"1516429"	191.10779	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+IsoProp+H"	61.06479
"418303"	161.019188	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+Na+K"	61.952376
"780393"	226.040688	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+Na+K"	61.952376
"1679288"	95.997688	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na+K"	61.952376
"265437"	324.101768	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+ACN+Na"	64.015768
"1239969"	194.058768	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+ACN+Na"	64.015768
"1727277"	194.082293	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+NH4+HCOOH"	64.039293
"1193115"	66.3368846666667	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+3Na"	68.967654
"1664101"	199.037688	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na+HCOOH"	68.994688
"168047"	337.00504	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2K-H"	76.91904
"608702"	467.04804	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2K-H"	76.91904
"1097225"	206.96204	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2K-H"	76.91904
"154040"	169.006158	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"2M+2K"	77.926316
"593597"	234.027658	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"3M+2K"	77.926316
"1081390"	103.984658	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2K"	77.926316
"1109132"	208.976592	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2K+H"	78.933592
"1338228"	209.064207	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+DMSO+H"	79.021207
"1012225"	213.103376	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2ACN+H"	83.060376
"1525007"	214.097008	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+IsoProp+Na+H"	84.054008
"991455"	107.055326	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+2ACN+2H"	84.067652
"1601885"	215.011628	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K+HCOOH"	84.968628
"1423534"	245.043138	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+H+CF3COOH"	115.000138
"1158198"	127.568601	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+3ACN+2H"	125.094202
"1701188"	262.069685	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+NH4+CF3COOH"	132.026685
"1639026"	267.02508	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+Na+CF3COOH"	136.98208
"1576864"	282.99902	"C16484"	"1-Fluorocyclohexadiene-ciscis-12-diol"	"C6H7FO2"	"130.043"	"M+K+CF3COOH"	152.95602
"802855"	112.0324	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M"	0
"984042"	93.01401	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-H2O-H"	-19.01839
"70097"	73.6809906666667	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M-3H"	-3.021828
"508568"	111.025124	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M-3H"	-3.021828
"881995"	36.3368573333333	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-3H"	-3.021828
"6037"	111.025124	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M-2H"	-2.014552
"448879"	167.041324	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M-2H"	-2.014552
"826681"	55.008924	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-2H"	-2.014552
"92878"	223.057524	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M-H"	-1.007276
"533164"	335.089924	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M-H"	-1.007276
"909504"	111.025124	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-H"	-1.007276
"62065"	240.084071	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M-2H+NH4"	16.019271
"502526"	352.116471	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M-2H+NH4"	16.019271
"879914"	128.051671	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-2H+NH4"	16.019271
"47054"	245.039466	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M-2H+Na"	20.974666
"486404"	357.071866	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M-2H+Na"	20.974666
"864190"	133.007066	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-2H+Na"	20.974666
"1631915"	133.007066	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Na-2H"	20.974666
"105648"	129.013463	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M-H+Cl"	33.962126
"547394"	185.029663	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M-H+Cl"	33.962126
"936898"	72.997263	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-H+Cl"	33.962126
"280558"	259.034202	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+Cl"	34.969402
"667879"	371.066602	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+Cl"	34.969402
"1281376"	147.001802	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Cl"	34.969402
"18466"	261.013406	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M-2H+K"	36.948606
"465678"	373.045806	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M-2H+K"	36.948606
"838013"	148.981006	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-2H+K"	36.948606
"1562595"	148.981006	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+K-2H"	36.948606
"945011"	157.030594	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-H+HCOOH"	44.998194
"367599"	269.063001	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+HCOOH-H"	44.998201
"347472"	283.078651	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+Hac-H"	59.013851
"1497040"	171.046251	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Hac-H"	59.013851
"959355"	179.012551	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-H+NaCOOH"	66.980151
"112028"	147.001802	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+2Cl"	69.938804
"556330"	203.018002	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+2Cl"	69.938804
"1034971"	90.985602	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2Cl"	69.938804
"1244711"	190.951285	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Br"	78.918885
"1310440"	193.007272	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Cl+HCOOH"	80.974872
"1321009"	214.989229	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Cl+NaCOOH"	102.956829
"914620"	225.017986	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M-H+CF3COOH"	112.985586
"1290962"	260.994664	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Cl+CF3COOH"	148.962264
"1369848"	77.019724	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H-2H2O"	-35.012676
"1383700"	95.0297	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H-H2O"	-17.0027
"282899"	225.072076	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+H"	1.007276
"675973"	337.104476	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+H"	1.007276
"1351593"	113.039676	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H"	1.007276
"126016"	113.039676	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+2H"	2.014552
"569351"	169.055876	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+2H"	2.014552
"1039972"	57.023476	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2H"	2.014552
"207139"	75.6955426666667	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+3H"	3.021828
"646705"	113.039676	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+3H"	3.021828
"1166652"	38.3514093333333	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+3H"	3.021828
"426279"	242.098623	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+NH4"	18.033823
"788002"	354.131023	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+NH4"	18.033823
"1683971"	130.066223	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+NH4"	18.033823
"330788"	121.5529495	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+H+NH4"	19.041099
"724670"	177.5691495	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+H+NH4"	19.041099
"1477516"	65.5367495	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H+NH4"	19.041099
"393115"	247.054018	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+Na"	22.989218
"754884"	359.086418	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+Na"	22.989218
"1603139"	135.021618	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Na"	22.989218
"315216"	124.030647	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+H+Na"	23.996494
"709456"	180.046847	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+H+Na"	23.996494
"1465830"	68.014447	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H+Na"	23.996494
"1054335"	45.6787233333333	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2H+Na"	25.00377
"1264039"	145.065886	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+CH3OH+H"	33.033486
"379333"	263.027958	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+K"	38.963158
"742513"	375.060358	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+K"	38.963158
"1551136"	150.995558	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+K"	38.963158
"311226"	132.017617	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+H+K"	39.970434
"698544"	188.033817	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+H+K"	39.970434
"1459292"	76.001417	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H+K"	39.970434
"250450"	266.098626	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+ACN+H"	42.033826
"1225223"	154.066226	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+ACN+H"	42.033826
"1207038"	77.536751	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+ACN+2H"	43.041102
"201367"	269.03596	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+2Na-H"	44.97116
"641901"	381.06836	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+2Na-H"	44.97116
"1141153"	157.00356	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2Na-H"	44.97116
"180070"	135.021618	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+2Na"	45.978436
"624003"	191.037818	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+2Na"	45.978436
"1127508"	79.005418	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2Na"	45.978436
"1405564"	53.0060373333333	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H+2Na"	46.985712
"1433307"	159.045146	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H+HCOOH"	47.012746
"229570"	140.05464	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+3H2O+2H"	56.04448
"1515446"	173.09719	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+IsoProp+H"	61.06479
"417322"	143.008588	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+Na+K"	61.952376
"780503"	199.024788	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+Na+K"	61.952376
"1678665"	86.992388	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Na+K"	61.952376
"264094"	288.080568	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+ACN+Na"	64.015768
"1238621"	176.048168	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+ACN+Na"	64.015768
"1726782"	176.071693	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+NH4+HCOOH"	64.039293
"1192861"	60.3333513333333	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+3Na"	68.967654
"1665149"	181.027088	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Na+HCOOH"	68.994688
"168157"	300.98384	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+2K-H"	76.91904
"611000"	413.01624	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+2K-H"	76.91904
"1096242"	188.95144	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2K-H"	76.91904
"154514"	150.995558	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"2M+2K"	77.926316
"592980"	207.011758	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"3M+2K"	77.926316
"1081500"	94.979358	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2K"	77.926316
"1105233"	190.965992	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2K+H"	78.933592
"1339432"	191.053607	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+DMSO+H"	79.021207
"1007962"	195.092776	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2ACN+H"	83.060376
"1525117"	196.086408	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+IsoProp+Na+H"	84.054008
"991808"	98.050026	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+2ACN+2H"	84.067652
"1600173"	197.001028	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+K+HCOOH"	84.968628
"1424737"	227.032538	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+H+CF3COOH"	115.000138
"1157215"	118.563301	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+3ACN+2H"	125.094202
"1701295"	244.059085	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+NH4+CF3COOH"	132.026685
"1639136"	249.01448	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+Na+CF3COOH"	136.98208
"1576974"	264.98842	"C16485"	"4-Fluorophenol"	"C6H5FO"	"112.0324"	"M+K+CF3COOH"	152.95602
"802966"	20.0062	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M"	0
"984152"	0.98781	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-H2O-H"	-19.01839
"64743"	12.3301906666667	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M-3H"	-3.021828
"507584"	18.998924	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M-3H"	-3.021828
"881011"	5.66145733333333	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-3H"	-3.021828
"7243"	18.998924	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M-2H"	-2.014552
"453367"	29.002024	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M-2H"	-2.014552
"830074"	8.995824	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-2H"	-2.014552
"92984"	39.005124	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M-H"	-1.007276
"532910"	59.011324	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M-H"	-1.007276
"908522"	18.998924	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-H"	-1.007276
"62305"	56.031671	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M-2H+NH4"	16.019271
"502231"	76.037871	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M-2H+NH4"	16.019271
"879422"	36.025471	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-2H+NH4"	16.019271
"46111"	60.987066	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M-2H+Na"	20.974666
"484327"	80.993266	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M-2H+Na"	20.974666
"863587"	40.980866	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-2H+Na"	20.974666
"1630688"	40.980866	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Na-2H"	20.974666
"107582"	36.987263	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M-H+Cl"	33.962126
"547139"	46.990363	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M-H+Cl"	33.962126
"939197"	26.984163	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-H+Cl"	33.962126
"268036"	74.981802	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+Cl"	34.969402
"661428"	94.988002	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+Cl"	34.969402
"1275652"	54.975602	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Cl"	34.969402
"18574"	76.961006	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M-2H+K"	36.948606
"459228"	96.967206	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M-2H+K"	36.948606
"838122"	56.954806	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-2H+K"	36.948606
"1556869"	56.954806	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+K-2H"	36.948606
"945119"	65.004394	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-H+HCOOH"	44.998194
"363695"	85.010601	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+HCOOH-H"	44.998201
"348681"	99.026251	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+Hac-H"	59.013851
"1497150"	79.020051	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Hac-H"	59.013851
"959952"	86.986351	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-H+NaCOOH"	66.980151
"110268"	54.975602	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+2Cl"	69.938804
"556441"	64.978702	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+2Cl"	69.938804
"1032897"	44.972502	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2Cl"	69.938804
"1247007"	98.925085	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Br"	78.918885
"1307268"	100.981072	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Cl+HCOOH"	80.974872
"1321119"	122.963029	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Cl+NaCOOH"	102.956829
"912177"	132.991786	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M-H+CF3COOH"	112.985586
"1289979"	168.968464	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Cl+CF3COOH"	148.962264
"1367410"	-15.006476	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H-2H2O"	-35.012676
"1383810"	3.0035	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H-H2O"	-17.0027
"283091"	41.019676	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+H"	1.007276
"676406"	61.025876	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+H"	1.007276
"1353362"	21.013476	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H"	1.007276
"126982"	21.013476	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+2H"	2.014552
"567026"	31.016576	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+2H"	2.014552
"1038987"	11.010376	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2H"	2.014552
"208350"	14.3447426666667	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+3H"	3.021828
"647181"	21.013476	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+3H"	3.021828
"1166035"	7.67600933333333	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+3H"	3.021828
"426389"	58.046223	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+NH4"	18.033823
"787746"	78.052423	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+NH4"	18.033823
"1682984"	38.040023	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+NH4"	18.033823
"333815"	29.5267495	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+H+NH4"	19.041099
"725142"	39.5298495	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+H+NH4"	19.041099
"1480423"	19.5236495	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H+NH4"	19.041099
"394727"	63.001618	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+Na"	22.989218
"756459"	83.007818	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+Na"	22.989218
"1606383"	42.995418	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Na"	22.989218
"317513"	32.004447	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+H+Na"	23.996494
"709567"	42.007547	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+H+Na"	23.996494
"1464847"	22.001347	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H+Na"	23.996494
"1063565"	15.0033233333333	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2H+Na"	25.00377
"1261963"	53.039686	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+CH3OH+H"	33.033486
"382722"	78.975558	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+K"	38.963158
"752109"	98.981758	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+K"	38.963158
"1550150"	58.969358	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+K"	38.963158
"309515"	39.991417	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+H+K"	39.970434
"703030"	49.994517	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+H+K"	39.970434
"1459040"	29.988317	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H+K"	39.970434
"244357"	82.046226	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+ACN+H"	42.033826
"1214880"	62.040026	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+ACN+H"	42.033826
"1204230"	31.523651	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+ACN+2H"	43.041102
"191639"	84.98356	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+2Na-H"	44.97116
"631197"	104.98976	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+2Na-H"	44.97116
"1139077"	64.97736	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2Na-H"	44.97116
"180181"	42.995418	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+2Na"	45.978436
"620831"	52.998518	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+2Na"	45.978436
"1121057"	32.992318	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2Na"	45.978436
"1404586"	22.3306373333333	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H+2Na"	46.985712
"1439987"	67.018946	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H+HCOOH"	47.012746
"230776"	48.02844	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+3H2O+2H"	56.04448
"1516651"	81.07099	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+IsoProp+H"	61.06479
"419618"	50.982388	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+Na+K"	61.952376
"782080"	60.985488	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+Na+K"	61.952376
"1678045"	40.979288	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Na+K"	61.952376
"261283"	104.028168	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+ACN+Na"	64.015768
"1238732"	84.021968	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+ACN+Na"	64.015768
"1726281"	84.045493	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+NH4+HCOOH"	64.039293
"1192975"	29.6579513333333	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+3Na"	68.967654
"1663108"	89.000888	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Na+HCOOH"	68.994688
"167174"	116.93144	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+2K-H"	76.91904
"608921"	136.93764	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+2K-H"	76.91904
"1092340"	96.92524	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2K-H"	76.91904
"145875"	58.969358	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"2M+2K"	77.926316
"593818"	68.972458	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"3M+2K"	77.926316
"1076508"	48.966258	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2K"	77.926316
"1100971"	98.939792	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2K+H"	78.933592
"1336624"	99.027407	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+DMSO+H"	79.021207
"1014637"	103.066576	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2ACN+H"	83.060376
"1528389"	104.060208	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+IsoProp+Na+H"	84.054008
"1001402"	52.036926	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+2ACN+2H"	84.067652
"1600282"	104.974828	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+K+HCOOH"	84.968628
"1425940"	135.006338	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+H+CF3COOH"	115.000138
"1150762"	72.550201	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+3ACN+2H"	125.094202
"1699219"	152.032885	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+NH4+CF3COOH"	132.026685
"1647996"	156.98828	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+Na+CF3COOH"	136.98208
"1583646"	172.96222	"C16487"	"Hydrofluoric acid;Hydrogen fluoride;Fluoride"	"HF"	"20.0062"	"M+K+CF3COOH"	152.95602
"802225"	308.1584	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M"	0
"984262"	289.14001	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-H2O-H"	-19.01839
"64853"	204.431657333333	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M-3H"	-3.021828
"508787"	307.151124	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M-3H"	-3.021828
"881121"	101.712190666667	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-3H"	-3.021828
"6260"	307.151124	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H"	-2.014552
"453477"	461.230324	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H"	-2.014552
"827997"	153.071924	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-2H"	-2.014552
"93094"	615.309524	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M-H"	-1.007276
"532654"	923.467924	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M-H"	-1.007276
"909605"	307.151124	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-H"	-1.007276
"62163"	632.336071	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H+NH4"	16.019271
"500026"	940.494471	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H+NH4"	16.019271
"878677"	324.177671	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-2H+NH4"	16.019271
"45970"	637.291466	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H+Na"	20.974666
"482372"	945.449866	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H+Na"	20.974666
"861264"	329.133066	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-2H+Na"	20.974666
"1631891"	329.133066	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Na-2H"	20.974666
"108053"	325.139463	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M-H+Cl"	33.962126
"543604"	479.218663	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M-H+Cl"	33.962126
"937119"	171.060263	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-H+Cl"	33.962126
"267899"	651.286202	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+Cl"	34.969402
"660807"	959.444602	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+Cl"	34.969402
"1275036"	343.127802	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl"	34.969402
"21966"	653.265406	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H+K"	36.948606
"456057"	961.423806	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H+K"	36.948606
"838233"	345.107006	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-2H+K"	36.948606
"1558440"	345.107006	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+K-2H"	36.948606
"943040"	353.156594	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-H+HCOOH"	44.998194
"361740"	661.315001	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+HCOOH-H"	44.998201
"346237"	675.330651	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+Hac-H"	59.013851
"1496167"	367.172251	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Hac-H"	59.013851
"960792"	375.138551	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-H+NaCOOH"	66.980151
"121365"	343.127802	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+2Cl"	69.938804
"563479"	497.207002	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+2Cl"	69.938804
"1028633"	189.048602	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2Cl"	69.938804
"1243837"	387.077285	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Br"	78.918885
"1305189"	389.133272	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl+HCOOH"	80.974872
"1323782"	411.115229	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl+NaCOOH"	102.956829
"912772"	421.143986	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M-H+CF3COOH"	112.985586
"1288552"	457.120664	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl+CF3COOH"	148.962264
"1367226"	273.145724	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H-2H2O"	-35.012676
"1382939"	291.1557	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H-H2O"	-17.0027
"282915"	617.324076	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+H"	1.007276
"676393"	925.482476	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+H"	1.007276
"1353471"	309.165676	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H"	1.007276
"126368"	309.165676	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+2H"	2.014552
"567745"	463.244876	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+2H"	2.014552
"1038730"	155.086476	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2H"	2.014552
"210649"	206.446209333333	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+3H"	3.021828
"649843"	309.165676	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+3H"	3.021828
"1165781"	103.726742666667	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+3H"	3.021828
"425771"	634.350623	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+NH4"	18.033823
"786519"	942.509023	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+NH4"	18.033823
"1681628"	326.192223	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+NH4"	18.033823
"332469"	317.6789495	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+H+NH4"	19.041099
"725254"	471.7581495	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+H+NH4"	19.041099
"1478345"	163.5997495	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H+NH4"	19.041099
"394837"	639.306018	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+Na"	22.989218
"756205"	947.464418	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+Na"	22.989218
"1611961"	331.147618	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Na"	22.989218
"316530"	320.156647	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+H+Na"	23.996494
"708464"	474.235847	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+H+Na"	23.996494
"1466053"	166.077447	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H+Na"	23.996494
"1062582"	111.054056666667	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2H+Na"	25.00377
"1265353"	341.191886	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+CH3OH+H"	33.033486
"382833"	655.279958	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+K"	38.963158
"753197"	963.438358	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+K"	38.963158
"1553907"	347.121558	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+K"	38.963158
"312911"	328.143617	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+H+K"	39.970434
"705334"	482.222817	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+H+K"	39.970434
"1459151"	174.064417	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H+K"	39.970434
"249817"	658.350626	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+ACN+H"	42.033826
"1218273"	350.192226	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+ACN+H"	42.033826
"1197783"	175.599751	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+ACN+2H"	43.041102
"196120"	661.28796	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+2Na-H"	44.97116
"642728"	969.44636	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+2Na-H"	44.97116
"1138094"	353.12956	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2Na-H"	44.97116
"181381"	331.147618	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+2Na"	45.978436
"619849"	485.226818	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+2Na"	45.978436
"1121169"	177.068418	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2Na"	45.978436
"1405784"	118.381370666667	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H+2Na"	46.985712
"1437907"	355.171146	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H+HCOOH"	47.012746
"226513"	336.18064	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+3H2O+2H"	56.04448
"1522233"	369.22319	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+IsoProp+H"	61.06479
"419730"	339.134588	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+Na+K"	61.952376
"782554"	493.213788	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+Na+K"	61.952376
"1679247"	185.055388	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Na+K"	61.952376
"258112"	680.332568	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+ACN+Na"	64.015768
"1236654"	372.174168	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+ACN+Na"	64.015768
"1722260"	372.197693	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+NH4+HCOOH"	64.039293
"1190165"	125.708684666667	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+3Na"	68.967654
"1661152"	377.153088	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Na+HCOOH"	68.994688
"168377"	693.23584	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+2K-H"	76.91904
"609760"	1001.39424	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+2K-H"	76.91904
"1096824"	385.07744	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2K-H"	76.91904
"151454"	347.121558	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"2M+2K"	77.926316
"593564"	501.200758	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"3M+2K"	77.926316
"1071151"	193.042358	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2K"	77.926316
"1105456"	387.091992	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2K+H"	78.933592
"1339652"	387.179607	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+DMSO+H"	79.021207
"1013654"	391.218776	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2ACN+H"	83.060376
"1528499"	392.212408	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+IsoProp+Na+H"	84.054008
"1001512"	196.113026	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+2ACN+2H"	84.067652
"1599299"	393.127028	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+K+HCOOH"	84.968628
"1423864"	423.158538	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+H+CF3COOH"	115.000138
"1154152"	216.626301	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+3ACN+2H"	125.094202
"1701516"	440.185085	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+NH4+CF3COOH"	132.026685
"1636072"	445.14048	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+Na+CF3COOH"	136.98208
"1580476"	461.11442	"C16488"	"Fructoselysine"	"C12H24N2O7"	"308.1584"	"M+K+CF3COOH"	152.95602
"804281"	388.1247	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M"	0
"987652"	369.10631	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H2O-H"	-19.01839
"64963"	257.742524	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-3H"	-3.021828
"507807"	387.117424	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-3H"	-3.021828
"891077"	128.367624	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-3H"	-3.021828
"15674"	387.117424	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H"	-2.014552
"451402"	581.179774	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H"	-2.014552
"830294"	193.055074	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H"	-2.014552
"93083"	775.242124	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-H"	-1.007276
"533384"	1163.366824	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-H"	-1.007276
"910082"	387.117424	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H"	-1.007276
"62558"	792.268671	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H+NH4"	16.019271
"498315"	1180.393371	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H+NH4"	16.019271
"875022"	404.143971	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H+NH4"	16.019271
"45835"	797.224066	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H+Na"	20.974666
"483207"	1185.348766	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H+Na"	20.974666
"863198"	409.099366	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H+Na"	20.974666
"1632001"	409.099366	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na-2H"	20.974666
"104154"	405.105763	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-H+Cl"	33.962126
"540437"	599.168113	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-H+Cl"	33.962126
"929212"	211.043413	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+Cl"	33.962126
"268497"	811.218802	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Cl"	34.969402
"661277"	1199.343502	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+Cl"	34.969402
"1275510"	423.094102	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl"	34.969402
"18063"	813.198006	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H+K"	36.948606
"460540"	1201.322706	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H+K"	36.948606
"833354"	425.073306	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H+K"	36.948606
"1556154"	425.073306	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K-2H"	36.948606
"943634"	433.122894	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+HCOOH"	44.998194
"362699"	821.247601	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+HCOOH-H"	44.998201
"346713"	835.263251	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Hac-H"	59.013851
"1505756"	447.138551	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Hac-H"	59.013851
"961995"	455.104851	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+NaCOOH"	66.980151
"123299"	423.094102	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2Cl"	69.938804
"558851"	617.156452	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2Cl"	69.938804
"1028743"	229.031752	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2Cl"	69.938804
"1248322"	467.043585	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Br"	78.918885
"1307490"	469.099572	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl+HCOOH"	80.974872
"1321705"	491.081529	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl+NaCOOH"	102.956829
"913127"	501.110286	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+CF3COOH"	112.985586
"1291656"	537.086964	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl+CF3COOH"	148.962264
"1367219"	353.112024	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H-2H2O"	-35.012676
"1383298"	371.122	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H-H2O"	-17.0027
"284450"	777.256676	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H"	1.007276
"676019"	1165.381376	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H"	1.007276
"1356870"	389.131976	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H"	1.007276
"129394"	389.131976	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2H"	2.014552
"570048"	583.194326	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2H"	2.014552
"1041764"	195.069626	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2H"	2.014552
"209299"	259.757076	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+3H"	3.021828
"647401"	389.131976	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+3H"	3.021828
"1165526"	130.382176	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+3H"	3.021828
"426244"	794.283223	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+NH4"	18.033823
"786629"	1182.407923	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+NH4"	18.033823
"1683570"	406.158523	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+NH4"	18.033823
"333670"	397.6452495	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H+NH4"	19.041099
"725362"	591.7075995	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H+NH4"	19.041099
"1478089"	203.5828995	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+NH4"	19.041099
"393734"	799.238618	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Na"	22.989218
"756308"	1187.363318	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+Na"	22.989218
"1606604"	411.113918	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na"	22.989218
"322110"	400.122947	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H+Na"	23.996494
"712344"	594.185297	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H+Na"	23.996494
"1462883"	206.060597	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+Na"	23.996494
"1059411"	137.70949	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2H+Na"	25.00377
"1263278"	421.158186	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+CH3OH+H"	33.033486
"391699"	815.212558	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+K"	38.963158
"753424"	1203.337258	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+K"	38.963158
"1555239"	427.087858	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K"	38.963158
"313383"	408.109917	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H+K"	39.970434
"706737"	602.172267	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H+K"	39.970434
"1458893"	214.047567	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+K"	39.970434
"245675"	818.283226	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+ACN+H"	42.033826
"1219476"	430.158526	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+ACN+H"	42.033826
"1198986"	215.582901	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+ACN+2H"	43.041102
"195136"	821.22056	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2Na-H"	44.97116
"642350"	1209.34526	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2Na-H"	44.97116
"1141484"	433.09586	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2Na-H"	44.97116
"176024"	411.113918	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2Na"	45.978436
"621053"	605.176268	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2Na"	45.978436
"1123465"	217.051568	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2Na"	45.978436
"1406987"	145.036804	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+2Na"	46.985712
"1434740"	435.137446	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+HCOOH"	47.012746
"233193"	416.14694	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+3H2O+2H"	56.04448
"1522955"	449.18949	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+IsoProp+H"	61.06479
"422037"	419.100888	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Na+K"	61.952376
"784365"	613.163238	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+Na+K"	61.952376
"1676807"	225.038538	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na+K"	61.952376
"260411"	840.265168	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+ACN+Na"	64.015768
"1238587"	452.140468	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+ACN+Na"	64.015768
"1724195"	452.163993	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+NH4+HCOOH"	64.039293
"1188454"	152.364118	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+3Na"	68.967654
"1656160"	457.119388	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na+HCOOH"	68.994688
"165206"	853.16844	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2K-H"	76.91904
"606954"	1241.29314	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2K-H"	76.91904
"1093654"	465.04374	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2K-H"	76.91904
"145002"	427.087858	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2K"	77.926316
"582376"	621.150208	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2K"	77.926316
"1070171"	233.025508	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2K"	77.926316
"1104475"	467.058292	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2K+H"	78.933592
"1344141"	467.145907	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+DMSO+H"	79.021207
"1013764"	471.185076	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2ACN+H"	83.060376
"1539749"	472.178708	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+IsoProp+Na+H"	84.054008
"1004423"	236.096176	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2ACN+2H"	84.067652
"1596128"	473.093328	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K+HCOOH"	84.968628
"1420695"	503.124838	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+CF3COOH"	115.000138
"1154265"	256.609451	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+3ACN+2H"	125.094202
"1704910"	520.151385	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+NH4+CF3COOH"	132.026685
"1642749"	525.10678	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na+CF3COOH"	136.98208
"1580586"	541.08072	"C16489"	"Fructoselysine 6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K+CF3COOH"	152.95602
"802325"	610.1534	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M"	0
"977925"	591.13501	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-H2O-H"	-19.01839
"65073"	405.761657333333	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M-3H"	-3.021828
"507917"	609.146124	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M-3H"	-3.021828
"891187"	202.377190666667	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-3H"	-3.021828
"15483"	609.146124	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M-2H"	-2.014552
"450418"	914.222824	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M-2H"	-2.014552
"830407"	304.069424	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-2H"	-2.014552
"93318"	1219.299524	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M-H"	-1.007276
"533854"	1829.452924	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M-H"	-1.007276
"910807"	609.146124	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-H"	-1.007276
"59957"	1236.326071	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M-2H+NH4"	16.019271
"501583"	1846.479471	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M-2H+NH4"	16.019271
"878287"	626.172671	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-2H+NH4"	16.019271
"45704"	1241.281466	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M-2H+Na"	20.974666
"482588"	1851.434866	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M-2H+Na"	20.974666
"861484"	631.128066	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-2H+Na"	20.974666
"1628831"	631.128066	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Na-2H"	20.974666
"102078"	627.134463	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M-H+Cl"	33.962126
"541639"	932.211163	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M-H+Cl"	33.962126
"936249"	322.057763	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-H+Cl"	33.962126
"271159"	1255.276202	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+Cl"	34.969402
"661392"	1865.429602	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+Cl"	34.969402
"1275978"	645.122802	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Cl"	34.969402
"19267"	1257.255406	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M-2H+K"	36.948606
"457733"	1867.408806	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M-2H+K"	36.948606
"834809"	647.102006	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-2H+K"	36.948606
"1557199"	647.102006	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+K-2H"	36.948606
"944718"	655.151594	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-H+HCOOH"	44.998194
"362202"	1265.305001	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+HCOOH-H"	44.998201
"351199"	1279.320651	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+Hac-H"	59.013851
"1499669"	669.167251	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Hac-H"	59.013851
"970491"	677.133551	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-H+NaCOOH"	66.980151
"119399"	645.122802	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+2Cl"	69.938804
"560055"	950.199502	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+2Cl"	69.938804
"1025575"	340.046102	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2Cl"	69.938804
"1246247"	689.072285	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Br"	78.918885
"1309786"	691.128272	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Cl+HCOOH"	80.974872
"1321813"	713.110229	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Cl+NaCOOH"	102.956829
"913599"	723.138986	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M-H+CF3COOH"	112.985586
"1292134"	759.115664	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Cl+CF3COOH"	148.962264
"1374306"	575.140724	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H-2H2O"	-35.012676
"1387428"	593.1507	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H-H2O"	-17.0027
"288211"	1221.314076	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+H"	1.007276
"686102"	1831.467476	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+H"	1.007276
"1362452"	611.160676	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H"	1.007276
"135341"	611.160676	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+2H"	2.014552
"571620"	916.237376	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+2H"	2.014552
"1043700"	306.083976	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2H"	2.014552
"209412"	407.776209333333	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+3H"	3.021828
"647514"	611.160676	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+3H"	3.021828
"1163815"	204.391742666667	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+3H"	3.021828
"426352"	1238.340623	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+NH4"	18.033823
"787349"	1848.494023	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+NH4"	18.033823
"1681855"	628.187223	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+NH4"	18.033823
"333052"	619.6739495	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+H+NH4"	19.041099
"724377"	924.7506495	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+H+NH4"	19.041099
"1478569"	314.5972495	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H+NH4"	19.041099
"396149"	1243.296018	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+Na"	22.989218
"759706"	1853.449418	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+Na"	22.989218
"1612185"	633.142618	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Na"	22.989218
"322223"	622.151647	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+H+Na"	23.996494
"715737"	927.228347	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+H+Na"	23.996494
"1470649"	317.074947	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H+Na"	23.996494
"1066819"	211.719056666667	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2H+Na"	25.00377
"1268860"	643.186886	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+CH3OH+H"	33.033486
"392749"	1259.269958	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+K"	38.963158
"754136"	1869.423358	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+K"	38.963158
"1554864"	649.116558	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+K"	38.963158
"314093"	630.138617	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+H+K"	39.970434
"706890"	935.215317	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+H+K"	39.970434
"1458279"	325.061917	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H+K"	39.970434
"248702"	1262.340626	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+ACN+H"	42.033826
"1218495"	652.187226	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+ACN+H"	42.033826
"1199097"	326.597251	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+ACN+2H"	43.041102
"197433"	1265.27796	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+2Na-H"	44.97116
"635901"	1875.43136	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+2Na-H"	44.97116
"1140500"	655.12456	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2Na-H"	44.97116
"180511"	633.142618	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+2Na"	45.978436
"620438"	938.219318	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+2Na"	45.978436
"1123579"	328.065918	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2Na"	45.978436
"1406008"	219.046370666667	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H+2Na"	46.985712
"1441413"	657.166146	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H+HCOOH"	47.012746
"231119"	638.17564	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+3H2O+2H"	56.04448
"1523186"	671.21819	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+IsoProp+H"	61.06479
"422512"	641.129588	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+Na+K"	61.952376
"785206"	946.206288	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+Na+K"	61.952376
"1680565"	336.052888	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Na+K"	61.952376
"259431"	1284.322568	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+ACN+Na"	64.015768
"1232139"	674.169168	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+ACN+Na"	64.015768
"1718838"	674.192693	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+NH4+HCOOH"	64.039293
"1187472"	226.373684666667	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+3Na"	68.967654
"1656270"	679.148088	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Na+HCOOH"	68.994688
"166411"	1297.22584	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+2K-H"	76.91904
"604877"	1907.37924	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+2K-H"	76.91904
"1089389"	687.07244	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2K-H"	76.91904
"147301"	649.116558	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"2M+2K"	77.926316
"591238"	954.193258	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"3M+2K"	77.926316
"1074656"	344.039858	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2K"	77.926316
"1107867"	689.086992	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2K+H"	78.933592
"1343160"	689.174607	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+DMSO+H"	79.021207
"1010596"	693.213776	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2ACN+H"	83.060376
"1539179"	694.207408	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+IsoProp+Na+H"	84.054008
"1003803"	347.110526	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+2ACN+2H"	84.067652
"1592958"	695.122028	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+K+HCOOH"	84.968628
"1420803"	725.153538	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+H+CF3COOH"	115.000138
"1149634"	367.623801	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+3ACN+2H"	125.094202
"1697401"	742.180085	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+NH4+CF3COOH"	132.026685
"1642859"	747.13548	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+Na+CF3COOH"	136.98208
"1580696"	763.10942	"C16490"	"Kaempferol 3-O-beta-D-glucosylgalactoside"	"C27H30O16"	"610.1534"	"M+K+CF3COOH"	152.95602
"804500"	564.1479	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M"	0
"984595"	545.12951	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-H2O-H"	-19.01839
"70650"	375.091324	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M-3H"	-3.021828
"508027"	563.140624	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M-3H"	-3.021828
"885829"	187.042024	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-3H"	-3.021828
"10967"	563.140624	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M-2H"	-2.014552
"453811"	845.214574	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M-2H"	-2.014552
"832179"	281.066674	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-2H"	-2.014552
"92698"	1127.288524	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M-H"	-1.007276
"534009"	1691.436424	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M-H"	-1.007276
"910670"	563.140624	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-H"	-1.007276
"61651"	1144.315071	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M-2H+NH4"	16.019271
"501696"	1708.462971	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M-2H+NH4"	16.019271
"877431"	580.167171	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-2H+NH4"	16.019271
"45330"	1149.270466	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M-2H+Na"	20.974666
"483796"	1713.418366	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M-2H+Na"	20.974666
"859410"	585.122566	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-2H+Na"	20.974666
"1630037"	585.122566	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Na-2H"	20.974666
"103285"	581.128963	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M-H+Cl"	33.962126
"543937"	863.202913	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M-H+Cl"	33.962126
"936359"	299.055013	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-H+Cl"	33.962126
"274916"	1163.265202	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+Cl"	34.969402
"667339"	1727.413102	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+Cl"	34.969402
"1275367"	599.117302	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Cl"	34.969402
"16585"	1165.244406	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M-2H+K"	36.948606
"459671"	1729.392306	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M-2H+K"	36.948606
"834191"	601.096506	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-2H+K"	36.948606
"1557069"	601.096506	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+K-2H"	36.948606
"944344"	609.146094	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-H+HCOOH"	44.998194
"361480"	1173.294001	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+HCOOH-H"	44.998201
"351673"	1187.309651	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+Hac-H"	59.013851
"1503790"	623.161751	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Hac-H"	59.013851
"970605"	631.128051	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-H+NaCOOH"	66.980151
"123885"	599.117302	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+2Cl"	69.938804
"563449"	881.191252	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+2Cl"	69.938804
"1028966"	317.043352	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2Cl"	69.938804
"1251825"	643.066785	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Br"	78.918885
"1313181"	645.122772	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Cl+HCOOH"	80.974872
"1321928"	667.104729	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Cl+NaCOOH"	102.956829
"921735"	677.133486	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M-H+CF3COOH"	112.985586
"1298444"	713.110164	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Cl+CF3COOH"	148.962264
"1372230"	529.135224	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H-2H2O"	-35.012676
"1388633"	547.1452	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H-H2O"	-17.0027
"289414"	1129.303076	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+H"	1.007276
"687305"	1693.450976	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+H"	1.007276
"1364384"	565.155176	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H"	1.007276
"136545"	565.155176	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+2H"	2.014552
"575012"	847.229126	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+2H"	2.014552
"1043810"	283.081226	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2H"	2.014552
"207336"	377.105876	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+3H"	3.021828
"646532"	565.155176	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+3H"	3.021828
"1165018"	189.056576	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+3H"	3.021828
"425738"	1146.329623	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+NH4"	18.033823
"787097"	1710.477523	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+NH4"	18.033823
"1682695"	582.181723	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+NH4"	18.033823
"332799"	573.6684495	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+H+NH4"	19.041099
"724852"	855.7423995	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+H+NH4"	19.041099
"1477586"	291.5944995	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H+NH4"	19.041099
"393466"	1151.285018	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+Na"	22.989218
"756536"	1715.432918	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+Na"	22.989218
"1615942"	587.137118	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Na"	22.989218
"325613"	576.146147	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+H+Na"	23.996494
"716941"	858.220097	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+H+Na"	23.996494
"1470759"	294.072197	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H+Na"	23.996494
"1067292"	196.38389	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2H+Na"	25.00377
"1271157"	597.181386	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+CH3OH+H"	33.033486
"391922"	1167.258958	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+K"	38.963158
"752187"	1731.406858	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+K"	38.963158
"1555512"	603.111058	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+K"	38.963158
"314256"	584.133117	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+H+K"	39.970434
"706274"	866.207067	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+H+K"	39.970434
"1460090"	302.059167	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H+K"	39.970434
"248811"	1170.329626	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+ACN+H"	42.033826
"1219699"	606.181726	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+ACN+H"	42.033826
"1198113"	303.594501	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+ACN+2H"	43.041102
"196450"	1173.26696	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+2Na-H"	44.97116
"636011"	1737.41486	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+2Na-H"	44.97116
"1141703"	609.11906	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2Na-H"	44.97116
"178435"	587.137118	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+2Na"	45.978436
"621277"	869.211068	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+2Na"	45.978436
"1122596"	305.063168	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2Na"	45.978436
"1403202"	203.711204	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H+2Na"	46.985712
"1441523"	611.160646	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H+HCOOH"	47.012746
"234144"	592.17014	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+3H2O+2H"	56.04448
"1523950"	625.21269	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+IsoProp+H"	61.06479
"423719"	595.124088	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+Na+K"	61.952376
"785530"	877.198038	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+Na+K"	61.952376
"1681167"	313.050138	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Na+K"	61.952376
"266589"	1192.311568	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+ACN+Na"	64.015768
"1236624"	628.163668	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+ACN+Na"	64.015768
"1726239"	628.187193	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+NH4+HCOOH"	64.039293
"1194079"	211.038518	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+3Na"	68.967654
"1662943"	633.142588	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Na+HCOOH"	68.994688
"167618"	1205.21484	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+2K-H"	76.91904
"608269"	1769.36274	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+2K-H"	76.91904
"1093876"	641.06694	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2K-H"	76.91904
"151787"	603.111058	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"2M+2K"	77.926316
"596902"	885.185008	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"3M+2K"	77.926316
"1075860"	321.037108	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2K"	77.926316
"1110164"	643.081492	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2K+H"	78.933592
"1346550"	643.169107	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+DMSO+H"	79.021207
"1012893"	647.208276	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2ACN+H"	83.060376
"1539293"	648.201908	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+IsoProp+Na+H"	84.054008
"1003913"	324.107776	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+2ACN+2H"	84.067652
"1596348"	649.116528	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+K+HCOOH"	84.968628
"1420915"	679.148038	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+H+CF3COOH"	115.000138
"1151205"	344.621051	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+3ACN+2H"	125.094202
"1705130"	696.174585	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+NH4+CF3COOH"	132.026685
"1639688"	701.12998	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+Na+CF3COOH"	136.98208
"1580806"	717.10392	"C16491"	"Isovitexin 2-O-arabinoside"	"C26H28O14"	"564.1479"	"M+K+CF3COOH"	152.95602
"801503"	434.1213	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M"	0
"975227"	415.10291	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-H2O-H"	-19.01839
"64198"	288.406924	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M-3H"	-3.021828
"504852"	433.114024	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M-3H"	-3.021828
"881561"	143.699824	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-3H"	-3.021828
"1587"	433.114024	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M-2H"	-2.014552
"441883"	650.174674	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M-2H"	-2.014552
"821876"	216.053374	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-2H"	-2.014552
"91351"	867.235324	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M-H"	-1.007276
"532366"	1301.356624	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M-H"	-1.007276
"909923"	433.114024	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-H"	-1.007276
"61386"	884.261871	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M-2H+NH4"	16.019271
"501920"	1318.383171	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M-2H+NH4"	16.019271
"879363"	450.140571	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-2H+NH4"	16.019271
"46533"	889.217266	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M-2H+Na"	20.974666
"483906"	1323.338566	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M-2H+Na"	20.974666
"859520"	455.095966	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-2H+Na"	20.974666
"1630147"	455.095966	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Na-2H"	20.974666
"104485"	451.102363	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M-H+Cl"	33.962126
"542953"	668.163013	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M-H+Cl"	33.962126
"932093"	234.041713	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-H+Cl"	33.962126
"269922"	903.212002	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+Cl"	34.969402
"665260"	1337.333302	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+Cl"	34.969402
"1273289"	469.090702	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Cl"	34.969402
"17302"	905.191206	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M-2H+K"	36.948606
"456501"	1339.312506	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M-2H+K"	36.948606
"833081"	471.069906	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-2H+K"	36.948606
"1556205"	471.069906	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+K-2H"	36.948606
"943000"	479.119494	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-H+HCOOH"	44.998194
"361690"	913.240801	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+HCOOH-H"	44.998201
"349962"	927.256451	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+Hac-H"	59.013851
"1502078"	493.135151	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Hac-H"	59.013851
"972295"	501.101451	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-H+NaCOOH"	66.980151
"120713"	469.090702	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+2Cl"	69.938804
"562465"	686.151352	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+2Cl"	69.938804
"1029076"	252.030052	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2Cl"	69.938804
"1249748"	513.040185	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Br"	78.918885
"1313291"	515.096172	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Cl+HCOOH"	80.974872
"1322038"	537.078129	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Cl+NaCOOH"	102.956829
"920752"	547.106886	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M-H+CF3COOH"	112.985586
"1296367"	583.083564	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Cl+CF3COOH"	148.962264
"1373433"	399.108624	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H-2H2O"	-35.012676
"1386555"	417.1186	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H-H2O"	-17.0027
"289524"	869.249876	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+H"	1.007276
"686319"	1303.371176	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+H"	1.007276
"1363763"	435.128576	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H"	1.007276
"134464"	435.128576	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+2H"	2.014552
"567826"	652.189226	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+2H"	2.014552
"1040638"	218.067926	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2H"	2.014552
"206717"	290.421476	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+3H"	3.021828
"649194"	435.128576	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+3H"	3.021828
"1167316"	145.714376	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+3H"	3.021828
"425119"	886.276423	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+NH4"	18.033823
"787206"	1320.397723	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+NH4"	18.033823
"1682806"	452.155123	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+NH4"	18.033823
"332907"	443.6418495	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+H+NH4"	19.041099
"723867"	660.7024995	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+H+NH4"	19.041099
"1479878"	226.5811995	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H+NH4"	19.041099
"394550"	891.231818	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+Na"	22.989218
"758832"	1325.353118	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+Na"	22.989218
"1615687"	457.110518	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Na"	22.989218
"322443"	446.119547	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+H+Na"	23.996494
"715958"	663.180197	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+H+Na"	23.996494
"1468683"	229.058897	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H+Na"	23.996494
"1067525"	153.04169	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2H+Na"	25.00377
"1270903"	467.154786	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+CH3OH+H"	33.033486
"391667"	907.205758	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+K"	38.963158
"752903"	1341.327058	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+K"	38.963158
"1555372"	473.084458	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+K"	38.963158
"313681"	454.106517	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+H+K"	39.970434
"706142"	671.167167	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+H+K"	39.970434
"1460444"	237.045867	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H+K"	39.970434
"250989"	910.276426	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+ACN+H"	42.033826
"1219809"	476.155126	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+ACN+H"	42.033826
"1198588"	238.581201	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+ACN+2H"	43.041102
"198747"	913.21376	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+2Na-H"	44.97116
"636121"	1347.33506	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+2Na-H"	44.97116
"1144000"	479.09246	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2Na-H"	44.97116
"177816"	457.110518	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+2Na"	45.978436
"618471"	674.171168	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+2Na"	45.978436
"1120153"	240.049868	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2Na"	45.978436
"1404404"	160.369004	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H+2Na"	46.985712
"1439083"	481.134046	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H+HCOOH"	47.012746
"235185"	462.14354	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+3H2O+2H"	56.04448
"1524095"	495.18609	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+IsoProp+H"	61.06479
"423345"	465.097488	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+Na+K"	61.952376
"785581"	682.158138	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+Na+K"	61.952376
"1680306"	248.036838	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Na+K"	61.952376
"266576"	932.258368	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+ACN+Na"	64.015768
"1241226"	498.137068	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+ACN+Na"	64.015768
"1728415"	498.160593	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+NH4+HCOOH"	64.039293
"1194064"	167.696318	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+3Na"	68.967654
"1664147"	503.115988	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Na+HCOOH"	68.994688
"169915"	945.16164	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+2K-H"	76.91904
"611538"	1379.28294	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+2K-H"	76.91904
"1097268"	511.04034	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2K-H"	76.91904
"155177"	473.084458	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"2M+2K"	77.926316
"596685"	690.145108	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"3M+2K"	77.926316
"1075970"	256.023808	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2K"	77.926316
"1112461"	513.054892	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2K+H"	78.933592
"1345567"	513.142507	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+DMSO+H"	79.021207
"1013003"	517.181676	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2ACN+H"	83.060376
"1539561"	518.175308	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+IsoProp+Na+H"	84.054008
"1004632"	259.094476	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+2ACN+2H"	84.067652
"1594272"	519.089928	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+K+HCOOH"	84.968628
"1421025"	549.121438	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+H+CF3COOH"	115.000138
"1151315"	279.607751	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+3ACN+2H"	125.094202
"1705240"	566.147985	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+NH4+CF3COOH"	132.026685
"1639798"	571.10338	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+Na+CF3COOH"	136.98208
"1580916"	587.07732	"C16492"	"8-C-Glucosylnaringenin"	"C21H22O10"	"434.1213"	"M+K+CF3COOH"	152.95602
"804720"	416.329	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M"	0
"976067"	397.31061	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"65402"	276.545390666667	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"506056"	415.321724	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"881671"	137.769057333333	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"1336"	415.321724	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"441992"	623.486224	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"819793"	207.157224	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"86352"	831.650724	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"523722"	1247.979724	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"900792"	415.321724	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"53713"	848.677271	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"500812"	1265.006271	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"878622"	432.348271	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"46159"	853.632666	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"482920"	1269.961666	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"858534"	437.303666	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1629161"	437.303666	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"102409"	433.310063	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"543063"	641.474563	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"933296"	225.145563	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"269668"	867.627402	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"660139"	1283.956402	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1275586"	451.298402	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"15991"	869.606606	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"455817"	1285.935606	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"832837"	453.277606	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1556111"	453.277606	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"942815"	461.327194	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"361964"	877.656201	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"350072"	891.671851	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1504010"	475.342851	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"971553"	483.309151	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"119730"	451.298402	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"563668"	659.462902	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1028093"	243.133902	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1246578"	495.247885	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1313401"	497.303872	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1320809"	519.285829	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"921591"	529.314586	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1296113"	565.291264	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1372450"	381.316324	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1385572"	399.3263	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"286718"	833.665276	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"686065"	1249.994276	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1361686"	417.336276	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H"	1.007276
"132387"	417.336276	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"566841"	625.500776	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1040748"	209.171776	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"206462"	278.559942666667	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"645657"	417.336276	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1163658"	139.783609333333	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"425106"	850.691823	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"786338"	1267.020823	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1681817"	434.362823	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"331192"	425.8495495	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"724097"	634.0140495	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1479257"	217.6850495	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"395383"	855.647218	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"757848"	1271.976218	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1614705"	439.318218	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"324375"	428.327247	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"717162"	636.491747	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1468793"	220.162747	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1067517"	147.110923333333	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1270648"	449.362486	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"391777"	871.621158	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"753499"	1287.950158	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1554952"	455.292158	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+K"	38.963158
"313100"	436.314217	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"706252"	644.478717	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1459947"	228.149717	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"250613"	874.691826	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1222105"	458.362826	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1200884"	229.685051	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"196670"	877.62916	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"643521"	1293.95816	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1145205"	461.30016	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"180840"	439.318218	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"620037"	647.482718	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1122814"	231.153718	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1406335"	154.438237333333	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1439193"	463.341746	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"234971"	444.35124	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1523519"	477.39379	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"423900"	447.305188	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"785137"	655.469688	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1680898"	239.140688	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"265594"	896.673768	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1241183"	480.344768	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1728165"	480.368293	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1193764"	161.765551333333	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1665479"	485.323688	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"172660"	909.57704	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"612379"	1325.90604	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1097257"	493.24804	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"154924"	455.292158	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"596883"	663.456658	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1079360"	247.127658	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1111477"	495.262592	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1345677"	495.350207	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1012019"	499.389376	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1539855"	500.383008	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"1005632"	250.198326	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1596568"	501.297628	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1421135"	531.329138	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1151425"	270.711601	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1705350"	548.355685	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1636628"	553.31108	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1581026"	569.28502	"C16493"	"3beta5beta-Ketodiol;22225-Trideoxyecdysone;3beta14alpha-Dihydroxy-5beta-cholest-7-en-6-one"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"802642"	432.324	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M"	0
"979458"	413.30561	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-H2O-H"	-19.01839
"72073"	287.208724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M-3H"	-3.021828
"507260"	431.316724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M-3H"	-3.021828
"885060"	143.100724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-3H"	-3.021828
"2176"	431.316724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M-2H"	-2.014552
"442465"	647.478724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M-2H"	-2.014552
"819538"	215.154724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-2H"	-2.014552
"90837"	863.640724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M-H"	-1.007276
"526021"	1295.964724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M-H"	-1.007276
"903819"	431.316724	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-H"	-1.007276
"56009"	880.667271	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M-2H+NH4"	16.019271
"498853"	1312.991271	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M-2H+NH4"	16.019271
"877155"	448.343271	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-2H+NH4"	16.019271
"43839"	885.622666	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M-2H+Na"	20.974666
"481938"	1317.946666	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M-2H+Na"	20.974666
"859738"	453.298666	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-2H+Na"	20.974666
"1629273"	453.298666	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Na-2H"	20.974666
"105801"	449.305063	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M-H+Cl"	33.962126
"542080"	665.467063	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M-H+Cl"	33.962126
"934500"	233.143063	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-H+Cl"	33.962126
"271966"	899.617402	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+Cl"	34.969402
"660415"	1331.941402	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+Cl"	34.969402
"1273385"	467.293402	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Cl"	34.969402
"16551"	901.596606	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M-2H+K"	36.948606
"457812"	1333.920606	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M-2H+K"	36.948606
"836708"	469.272606	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-2H+K"	36.948606
"1556304"	469.272606	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+K-2H"	36.948606
"943090"	477.322194	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-H+HCOOH"	44.998194
"362033"	909.646201	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+HCOOH-H"	44.998201
"352368"	923.661851	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+Hac-H"	59.013851
"1504484"	491.337851	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Hac-H"	59.013851
"964371"	499.304151	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-H+NaCOOH"	66.980151
"117653"	467.293402	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+2Cl"	69.938804
"561594"	683.455402	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+2Cl"	69.938804
"1032579"	251.131402	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2Cl"	69.938804
"1248876"	511.242885	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Br"	78.918885
"1313512"	513.298872	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Cl+HCOOH"	80.974872
"1327728"	535.280829	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Cl+NaCOOH"	102.956829
"920974"	545.309586	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M-H+CF3COOH"	112.985586
"1298412"	581.286264	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Cl+CF3COOH"	148.962264
"1375841"	397.311324	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H-2H2O"	-35.012676
"1388961"	415.3213	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H-H2O"	-17.0027
"294119"	865.655276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+H"	1.007276
"683259"	1297.979276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+H"	1.007276
"1363258"	433.331276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H"	1.007276
"132497"	433.331276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+2H"	2.014552
"568044"	649.493276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+2H"	2.014552
"1044140"	217.169276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2H"	2.014552
"208030"	289.223276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+3H"	3.021828
"649415"	433.331276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+3H"	3.021828
"1164983"	145.115276	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+3H"	3.021828
"428621"	882.681823	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+NH4"	18.033823
"787062"	1315.005823	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+NH4"	18.033823
"1682047"	450.357823	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+NH4"	18.033823
"330814"	441.8445495	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+H+NH4"	19.041099
"722825"	658.0065495	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+H+NH4"	19.041099
"1479366"	225.6825495	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H+NH4"	19.041099
"392899"	887.637218	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+Na"	22.989218
"756865"	1319.961218	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+Na"	22.989218
"1614815"	455.313218	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Na"	22.989218
"323755"	444.322247	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+H+Na"	23.996494
"717270"	660.484247	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+H+Na"	23.996494
"1469996"	228.160247	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H+Na"	23.996494
"1066529"	152.44259	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2H+Na"	25.00377
"1271731"	465.357486	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+CH3OH+H"	33.033486
"392457"	903.611158	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+K"	38.963158
"753611"	1335.935158	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+K"	38.963158
"1555435"	471.287158	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+K"	38.963158
"313698"	452.309217	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+H+K"	39.970434
"706727"	668.471217	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+H+K"	39.970434
"1460544"	236.147217	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H+K"	39.970434
"251369"	906.681826	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+ACN+H"	42.033826
"1218935"	474.357826	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+ACN+H"	42.033826
"1201723"	237.682551	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+ACN+2H"	43.041102
"200062"	909.61916	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+2Na-H"	44.97116
"642902"	1341.94316	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+2Na-H"	44.97116
"1144584"	477.29516	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2Na-H"	44.97116
"180950"	455.313218	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+2Na"	45.978436
"621605"	671.475218	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+2Na"	45.978436
"1121832"	239.151218	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2Na"	45.978436
"1406445"	159.769904	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H+2Na"	46.985712
"1441125"	479.336746	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H+HCOOH"	47.012746
"234110"	460.34624	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+3H2O+2H"	56.04448
"1522536"	493.38879	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+IsoProp+H"	61.06479
"423804"	463.300188	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+Na+K"	61.952376
"783583"	679.462188	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+Na+K"	61.952376
"1681129"	247.138188	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Na+K"	61.952376
"267001"	928.663768	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+ACN+Na"	64.015768
"1240930"	496.339768	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+ACN+Na"	64.015768
"1728156"	496.363293	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+NH4+HCOOH"	64.039293
"1193389"	167.097218	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+3Na"	68.967654
"1665103"	501.318688	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Na+HCOOH"	68.994688
"172205"	941.56704	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+2K-H"	76.91904
"611394"	1373.89104	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+2K-H"	76.91904
"1097246"	509.24304	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2K-H"	76.91904
"155155"	471.287158	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"2M+2K"	77.926316
"596996"	687.449158	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"3M+2K"	77.926316
"1079470"	255.125158	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2K"	77.926316
"1111587"	511.257592	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2K+H"	78.933592
"1345787"	511.345207	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+DMSO+H"	79.021207
"1012129"	515.384376	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2ACN+H"	83.060376
"1539496"	516.378008	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+IsoProp+Na+H"	84.054008
"1004969"	258.195826	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+2ACN+2H"	84.067652
"1595585"	517.292628	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+K+HCOOH"	84.968628
"1421245"	547.324138	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+H+CF3COOH"	115.000138
"1151535"	278.709101	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+3ACN+2H"	125.094202
"1705460"	564.350685	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+NH4+CF3COOH"	132.026685
"1640018"	569.30608	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+Na+CF3COOH"	136.98208
"1581136"	585.28002	"C16494"	"3beta5beta-Ketotriol;222-Dideoxyecdysone"	"C27H44O4"	"432.324"	"M+K+CF3COOH"	152.95602
"802145"	448.3189	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M"	0
"981752"	429.30051	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-H2O-H"	-19.01839
"71087"	297.871990666667	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M-3H"	-3.021828
"503357"	447.311624	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M-3H"	-3.021828
"882981"	148.432357333333	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-3H"	-3.021828
"464"	447.311624	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M-2H"	-2.014552
"440385"	671.471074	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M-2H"	-2.014552
"818191"	223.152174	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-2H"	-2.014552
"89854"	895.630524	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M-H"	-1.007276
"526131"	1343.949424	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M-H"	-1.007276
"900650"	447.311624	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-H"	-1.007276
"55026"	912.657071	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M-2H+NH4"	16.019271
"498963"	1360.975971	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M-2H+NH4"	16.019271
"874577"	464.338171	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-2H+NH4"	16.019271
"45650"	917.612466	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M-2H+Na"	20.974666
"480954"	1365.931366	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M-2H+Na"	20.974666
"858755"	469.293566	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-2H+Na"	20.974666
"1629383"	469.293566	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Na-2H"	20.974666
"104817"	465.299963	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M-H+Cl"	33.962126
"542190"	689.459413	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M-H+Cl"	33.962126
"934610"	241.140513	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-H+Cl"	33.962126
"272076"	931.607202	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+Cl"	34.969402
"662309"	1379.926102	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+Cl"	34.969402
"1273495"	483.288302	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Cl"	34.969402
"16780"	933.586406	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M-2H+K"	36.948606
"457557"	1381.905306	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M-2H+K"	36.948606
"834141"	485.267506	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-2H+K"	36.948606
"1555928"	485.267506	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+K-2H"	36.948606
"942889"	493.317094	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-H+HCOOH"	44.998194
"361509"	941.636001	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+HCOOH-H"	44.998201
"351385"	955.651651	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+Hac-H"	59.013851
"1503501"	507.332751	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Hac-H"	59.013851
"964481"	515.299051	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-H+NaCOOH"	66.980151
"117763"	483.288302	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+2Cl"	69.938804
"562068"	707.447752	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+2Cl"	69.938804
"1032325"	259.128852	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2Cl"	69.938804
"1250079"	527.237785	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Br"	78.918885
"1313622"	529.293772	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Cl+HCOOH"	80.974872
"1327838"	551.275729	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Cl+NaCOOH"	102.956829
"921813"	561.304486	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M-H+CF3COOH"	112.985586
"1297428"	597.281164	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Cl+CF3COOH"	148.962264
"1375951"	413.306224	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H-2H2O"	-35.012676
"1389071"	431.3162	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H-H2O"	-17.0027
"293135"	897.645076	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+H"	1.007276
"683369"	1345.963976	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+H"	1.007276
"1361907"	449.326176	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H"	1.007276
"133700"	449.326176	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+2H"	2.014552
"568156"	673.485626	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+2H"	2.014552
"1044250"	225.166726	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2H"	2.014552
"207047"	299.886542666667	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+3H"	3.021828
"649525"	449.326176	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+3H"	3.021828
"1165457"	150.446909333333	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+3H"	3.021828
"427638"	914.671623	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+NH4"	18.033823
"787536"	1362.990523	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+NH4"	18.033823
"1682404"	466.352723	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+NH4"	18.033823
"332145"	457.8394495	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+H+NH4"	19.041099
"723471"	681.9988995	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+H+NH4"	19.041099
"1477777"	233.6799995	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H+NH4"	19.041099
"393537"	919.627018	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+Na"	22.989218
"756974"	1367.945918	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+Na"	22.989218
"1614559"	471.308118	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Na"	22.989218
"324958"	460.317147	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+H+Na"	23.996494
"717380"	684.476597	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+H+Na"	23.996494
"1467919"	236.157697	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H+Na"	23.996494
"1067732"	157.774223333333	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2H+Na"	25.00377
"1271596"	481.352386	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+CH3OH+H"	33.033486
"391270"	935.600958	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+K"	38.963158
"752259"	1383.919858	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+K"	38.963158
"1555422"	487.282058	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+K"	38.963158
"313972"	468.304117	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+H+K"	39.970434
"706839"	692.463567	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+H+K"	39.970434
"1461112"	244.144667	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H+K"	39.970434
"251034"	938.671626	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+ACN+H"	42.033826
"1219045"	490.352726	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+ACN+H"	42.033826
"1206937"	245.680001	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+ACN+2H"	43.041102
"197982"	941.60896	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+2Na-H"	44.97116
"637543"	1389.92786	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+2Na-H"	44.97116
"1143235"	493.29006	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2Na-H"	44.97116
"181060"	471.308118	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+2Na"	45.978436
"621715"	695.467568	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+2Na"	45.978436
"1123035"	247.148668	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2Na"	45.978436
"1402547"	165.101537333333	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H+2Na"	46.985712
"1440869"	495.331646	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H+HCOOH"	47.012746
"233855"	476.34114	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+3H2O+2H"	56.04448
"1523739"	509.38369	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+IsoProp+H"	61.06479
"423062"	479.295088	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+Na+K"	61.952376
"781139"	703.454538	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+Na+K"	61.952376
"1677835"	255.135638	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Na+K"	61.952376
"265085"	960.653568	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+ACN+Na"	64.015768
"1241082"	512.334668	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+ACN+Na"	64.015768
"1725951"	512.358193	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+NH4+HCOOH"	64.039293
"1190575"	172.428851333333	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+3Na"	68.967654
"1665558"	517.313588	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Na+HCOOH"	68.994688
"172436"	973.55684	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+2K-H"	76.91904
"610532"	1421.87574	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+2K-H"	76.91904
"1097598"	525.23794	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2K-H"	76.91904
"155386"	487.282058	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"2M+2K"	77.926316
"596784"	711.441508	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"3M+2K"	77.926316
"1081767"	263.122608	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2K"	77.926316
"1108417"	527.252492	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2K+H"	78.933592
"1345897"	527.340107	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+DMSO+H"	79.021207
"1012239"	531.379276	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2ACN+H"	83.060376
"1538512"	532.372908	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+IsoProp+Na+H"	84.054008
"1004837"	266.193276	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+2ACN+2H"	84.067652
"1602378"	533.287528	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+K+HCOOH"	84.968628
"1421355"	563.319038	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+H+CF3COOH"	115.000138
"1151645"	286.706551	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+3ACN+2H"	125.094202
"1705570"	580.345585	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+NH4+CF3COOH"	132.026685
"1640128"	585.30098	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+Na+CF3COOH"	136.98208
"1581246"	601.27492	"C16495"	"2-Deoxyecdysone"	"C27H44O5"	"448.3189"	"M+K+CF3COOH"	152.95602
"801770"	464.3138	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M"	0
"981862"	445.29541	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-H2O-H"	-19.01839
"71197"	308.535257333333	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M-3H"	-3.021828
"507476"	463.306524	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M-3H"	-3.021828
"886370"	153.763990666667	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-3H"	-3.021828
"2763"	463.306524	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M-2H"	-2.014552
"440176"	695.463424	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M-2H"	-2.014552
"821219"	231.149624	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-2H"	-2.014552
"82301"	927.620324	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M-H"	-1.007276
"520773"	1391.934124	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M-H"	-1.007276
"899665"	463.306524	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-H"	-1.007276
"50762"	944.646871	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M-2H+NH4"	16.019271
"496885"	1408.960671	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M-2H+NH4"	16.019271
"874685"	480.333071	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-2H+NH4"	16.019271
"41498"	949.602266	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M-2H+Na"	20.974666
"482151"	1413.916066	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M-2H+Na"	20.974666
"858865"	485.288466	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-2H+Na"	20.974666
"1630586"	485.288466	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Na-2H"	20.974666
"104927"	481.294863	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M-H+Cl"	33.962126
"544487"	713.451763	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M-H+Cl"	33.962126
"934720"	249.137963	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-H+Cl"	33.962126
"275466"	963.597002	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+Cl"	34.969402
"661567"	1427.910802	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+Cl"	34.969402
"1274822"	499.283202	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Cl"	34.969402
"19565"	965.576206	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M-2H+K"	36.948606
"459125"	1429.890006	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M-2H+K"	36.948606
"834739"	501.262406	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-2H+K"	36.948606
"1555914"	501.262406	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+K-2H"	36.948606
"943315"	509.311994	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-H+HCOOH"	44.998194
"363232"	973.625801	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+HCOOH-H"	44.998201
"351495"	987.641451	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+Hac-H"	59.013851
"1503611"	523.327651	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Hac-H"	59.013851
"964592"	531.293951	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-H+NaCOOH"	66.980151
"120060"	499.283202	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+2Cl"	69.938804
"561813"	731.440102	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+2Cl"	69.938804
"1031705"	267.126302	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2Cl"	69.938804
"1250921"	543.232685	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Br"	78.918885
"1312641"	545.288672	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Cl+HCOOH"	80.974872
"1330137"	567.270629	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Cl+NaCOOH"	102.956829
"920832"	577.299386	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M-H+CF3COOH"	112.985586
"1301183"	613.276064	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Cl+CF3COOH"	148.962264
"1376061"	429.301124	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H-2H2O"	-35.012676
"1389181"	447.3111	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H-H2O"	-17.0027
"293245"	929.634876	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+H"	1.007276
"683479"	1393.948676	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+H"	1.007276
"1355453"	465.321076	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H"	1.007276
"133810"	465.321076	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+2H"	2.014552
"567171"	697.477976	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+2H"	2.014552
"1044360"	233.164176	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2H"	2.014552
"205696"	310.549809333333	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+3H"	3.021828
"649635"	465.321076	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+3H"	3.021828
"1164474"	155.778542666667	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+3H"	3.021828
"426655"	946.661423	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+NH4"	18.033823
"787646"	1410.975223	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+NH4"	18.033823
"1681866"	482.347623	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+NH4"	18.033823
"332256"	473.8343495	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+H+NH4"	19.041099
"724673"	705.9912495	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+H+NH4"	19.041099
"1478494"	241.6774495	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H+NH4"	19.041099
"394255"	951.616818	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+Na"	22.989218
"754898"	1415.930618	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+Na"	22.989218
"1612847"	487.303018	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Na"	22.989218
"321789"	476.312047	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+H+Na"	23.996494
"716397"	708.468947	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+H+Na"	23.996494
"1465843"	244.155147	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H+Na"	23.996494
"1066749"	163.105856666667	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2H+Na"	25.00377
"1270613"	497.347286	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+CH3OH+H"	33.033486
"391380"	967.590758	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+K"	38.963158
"752369"	1431.904558	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+K"	38.963158
"1555449"	503.276958	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+K"	38.963158
"314035"	484.299017	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+H+K"	39.970434
"706946"	716.455917	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+H+K"	39.970434
"1461278"	252.142117	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H+K"	39.970434
"250942"	970.661426	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+ACN+H"	42.033826
"1219154"	506.347626	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+ACN+H"	42.033826
"1204130"	253.677451	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+ACN+2H"	43.041102
"199554"	973.59876	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+2Na-H"	44.97116
"636561"	1437.91256	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+2Na-H"	44.97116
"1137879"	509.28496	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2Na-H"	44.97116
"178984"	487.303018	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+2Na"	45.978436
"618545"	719.459918	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+2Na"	45.978436
"1120959"	255.146118	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2Na"	45.978436
"1401928"	170.433170666667	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H+2Na"	46.985712
"1440980"	511.326546	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H+HCOOH"	47.012746
"233598"	492.33604	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+3H2O+2H"	56.04448
"1523365"	525.37859	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+IsoProp+H"	61.06479
"421711"	495.289988	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+Na+K"	61.952376
"783801"	727.446888	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+Na+K"	61.952376
"1678673"	263.133088	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Na+K"	61.952376
"267026"	992.643368	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+ACN+Na"	64.015768
"1241233"	528.329568	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+ACN+Na"	64.015768
"1727398"	528.353093	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+NH4+HCOOH"	64.039293
"1191779"	177.760484666667	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+3Na"	68.967654
"1663859"	533.308488	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Na+HCOOH"	68.994688
"172465"	1005.54664	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+2K-H"	76.91904
"610278"	1469.86044	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+2K-H"	76.91904
"1097587"	541.23284	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2K-H"	76.91904
"152337"	503.276958	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"2M+2K"	77.926316
"597041"	735.433858	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"3M+2K"	77.926316
"1081877"	271.120058	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2K"	77.926316
"1111807"	543.247392	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2K+H"	78.933592
"1348194"	543.335007	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+DMSO+H"	79.021207
"1015629"	547.374176	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2ACN+H"	83.060376
"1538133"	548.367808	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+IsoProp+Na+H"	84.054008
"1005437"	274.190726	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+2ACN+2H"	84.067652
"1601879"	549.282428	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+K+HCOOH"	84.968628
"1426932"	579.313938	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+H+CF3COOH"	115.000138
"1155035"	294.704001	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+3ACN+2H"	125.094202
"1705680"	596.340485	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+NH4+CF3COOH"	132.026685
"1640238"	601.29588	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+Na+CF3COOH"	136.98208
"1581356"	617.26982	"C16496"	"3-Epiecdysone"	"C27H44O6"	"464.3138"	"M+K+CF3COOH"	152.95602
"802973"	446.3032	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M"	0
"978691"	427.28481	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-H2O-H"	-19.01839
"68027"	296.528190666667	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M-3H"	-3.021828
"506493"	445.295924	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M-3H"	-3.021828
"881013"	147.760457333333	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-3H"	-3.021828
"686"	445.295924	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M-2H"	-2.014552
"441341"	668.447524	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M-2H"	-2.014552
"820235"	222.144324	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-2H"	-2.014552
"82411"	891.599124	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M-H"	-1.007276
"521975"	1337.902324	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M-H"	-1.007276
"901961"	445.295924	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-H"	-1.007276
"51964"	908.625671	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M-2H+NH4"	16.019271
"495902"	1354.928871	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M-2H+NH4"	16.019271
"873701"	462.322471	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-2H+NH4"	16.019271
"37231"	913.581066	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M-2H+Na"	20.974666
"478981"	1359.884266	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M-2H+Na"	20.974666
"855695"	467.277866	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-2H+Na"	20.974666
"1629602"	467.277866	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Na-2H"	20.974666
"103943"	463.284263	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M-H+Cl"	33.962126
"544597"	686.435863	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M-H+Cl"	33.962126
"934830"	240.132663	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-H+Cl"	33.962126
"275576"	927.575802	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+Cl"	34.969402
"660584"	1373.879002	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+Cl"	34.969402
"1277118"	481.272602	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Cl"	34.969402
"19674"	929.555006	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M-2H+K"	36.948606
"457047"	1375.858206	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M-2H+K"	36.948606
"834119"	483.251806	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-2H+K"	36.948606
"1555725"	483.251806	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+K-2H"	36.948606
"945124"	491.301394	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-H+HCOOH"	44.998194
"362002"	937.604601	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+HCOOH-H"	44.998201
"351605"	951.620251	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+Hac-H"	59.013851
"1503721"	505.317051	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Hac-H"	59.013851
"967982"	513.283351	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-H+NaCOOH"	66.980151
"117983"	481.272602	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+2Cl"	69.938804
"561922"	704.424202	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+2Cl"	69.938804
"1029628"	258.121002	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2Cl"	69.938804
"1253580"	525.222085	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Br"	78.918885
"1317122"	527.278072	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Cl+HCOOH"	80.974872
"1326962"	549.260029	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Cl+NaCOOH"	102.956829
"922395"	559.288786	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M-H+CF3COOH"	112.985586
"1300198"	595.265464	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Cl+CF3COOH"	148.962264
"1376171"	411.290524	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H-2H2O"	-35.012676
"1389290"	429.3005	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H-H2O"	-17.0027
"293355"	893.613676	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+H"	1.007276
"685411"	1339.916876	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+H"	1.007276
"1355563"	447.310476	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H"	1.007276
"135013"	447.310476	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+2H"	2.014552
"567035"	670.462076	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+2H"	2.014552
"1044470"	224.158876	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2H"	2.014552
"206900"	298.542742666667	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+3H"	3.021828
"653025"	447.310476	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+3H"	3.021828
"1166044"	149.775009333333	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+3H"	3.021828
"427493"	910.640223	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+NH4"	18.033823
"788850"	1356.943423	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+NH4"	18.033823
"1684814"	464.337023	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+NH4"	18.033823
"332730"	455.8237495	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+H+NH4"	19.041099
"725149"	678.9753495	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+H+NH4"	19.041099
"1478607"	232.6721495	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H+NH4"	19.041099
"394007"	915.595618	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+Na"	22.989218
"754480"	1361.898818	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+Na"	22.989218
"1613686"	469.292418	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Na"	22.989218
"324084"	458.301447	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+H+Na"	23.996494
"716505"	681.453047	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+H+Na"	23.996494
"1464859"	235.149847	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H+Na"	23.996494
"1063574"	157.102323333333	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2H+Na"	25.00377
"1269995"	479.336686	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+CH3OH+H"	33.033486
"384921"	931.569558	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+K"	38.963158
"750659"	1377.872758	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+K"	38.963158
"1553445"	485.266358	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+K"	38.963158
"313173"	466.288417	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+H+K"	39.970434
"704498"	689.440017	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+H+K"	39.970434
"1461230"	243.136817	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H+K"	39.970434
"251140"	934.640226	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+ACN+H"	42.033826
"1220358"	488.337026	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+ACN+H"	42.033826
"1206063"	244.672151	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+ACN+2H"	43.041102
"201122"	937.57756	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+2Na-H"	44.97116
"633391"	1383.88076	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+2Na-H"	44.97116
"1139082"	491.27436	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2Na-H"	44.97116
"178001"	469.292418	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+2Na"	45.978436
"618654"	692.444018	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+2Na"	45.978436
"1119974"	246.140818	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2Na"	45.978436
"1401795"	164.429637333333	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H+2Na"	46.985712
"1438903"	493.315946	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H+HCOOH"	47.012746
"233344"	474.32544	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+3H2O+2H"	56.04448
"1522989"	507.36799	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+IsoProp+H"	61.06479
"423278"	477.279388	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+Na+K"	61.952376
"783545"	700.430988	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+Na+K"	61.952376
"1678783"	254.127788	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Na+K"	61.952376
"263116"	956.622168	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+ACN+Na"	64.015768
"1235096"	510.318968	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+ACN+Na"	64.015768
"1724347"	510.342493	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+NH4+HCOOH"	64.039293
"1186054"	171.756951333333	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+3Na"	68.967654
"1661415"	515.297888	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Na+HCOOH"	68.994688
"167183"	969.52544	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+2K-H"	76.91904
"610752"	1415.82864	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+2K-H"	76.91904
"1094538"	523.22224	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2K-H"	76.91904
"144792"	485.266358	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"2M+2K"	77.926316
"586540"	708.417958	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"3M+2K"	77.926316
"1078706"	262.114758	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2K"	77.926316
"1111917"	525.236792	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2K+H"	78.933592
"1348304"	525.324407	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+DMSO+H"	79.021207
"1016832"	529.363576	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2ACN+H"	83.060376
"1534960"	530.357208	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+IsoProp+Na+H"	84.054008
"997033"	265.185426	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+2ACN+2H"	84.067652
"1594817"	531.271828	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+K+HCOOH"	84.968628
"1427042"	561.303338	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+H+CF3COOH"	115.000138
"1155145"	285.698701	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+3ACN+2H"	125.094202
"1705790"	578.329885	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+NH4+CF3COOH"	132.026685
"1640348"	583.28528	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+Na+CF3COOH"	136.98208
"1581466"	599.25922	"C16497"	"3-Dehydro-2-deoxyecdysone"	"C27H42O5"	"446.3032"	"M+K+CF3COOH"	152.95602
"802030"	430.3083	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M"	0
"978801"	411.28991	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-H2O-H"	-19.01839
"68137"	285.864924	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M-3H"	-3.021828
"506603"	429.301024	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M-3H"	-3.021828
"883309"	142.428824	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-3H"	-3.021828
"1524"	429.301024	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M-2H"	-2.014552
"441450"	644.455174	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M-2H"	-2.014552
"820344"	214.146874	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-2H"	-2.014552
"82521"	859.609324	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M-H"	-1.007276
"522081"	1289.917624	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M-H"	-1.007276
"898792"	429.301024	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-H"	-1.007276
"51344"	876.635871	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M-2H+NH4"	16.019271
"492730"	1306.944171	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M-2H+NH4"	16.019271
"869069"	446.327571	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-2H+NH4"	16.019271
"36247"	881.591266	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M-2H+Na"	20.974666
"477997"	1311.899566	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M-2H+Na"	20.974666
"855805"	451.282966	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-2H+Na"	20.974666
"1627525"	451.282966	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Na-2H"	20.974666
"102960"	447.289363	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M-H+Cl"	33.962126
"544707"	662.443513	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M-H+Cl"	33.962126
"937127"	232.135213	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-H+Cl"	33.962126
"275686"	895.586002	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+Cl"	34.969402
"665919"	1325.894302	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+Cl"	34.969402
"1277228"	465.277702	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Cl"	34.969402
"16137"	897.565206	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M-2H+K"	36.948606
"457158"	1327.873506	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M-2H+K"	36.948606
"832816"	467.256906	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-2H+K"	36.948606
"1556015"	467.256906	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+K-2H"	36.948606
"943168"	475.306494	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-H+HCOOH"	44.998194
"363449"	905.614801	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+HCOOH-H"	44.998201
"351715"	919.630451	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+Hac-H"	59.013851
"1502738"	489.322151	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Hac-H"	59.013851
"966999"	497.288451	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-H+NaCOOH"	66.980151
"117000"	465.277702	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+2Cl"	69.938804
"562032"	680.431852	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+2Cl"	69.938804
"1029738"	250.123552	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2Cl"	69.938804
"1252962"	509.227185	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Br"	78.918885
"1313952"	511.283172	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Cl+HCOOH"	80.974872
"1324886"	533.265129	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Cl+NaCOOH"	102.956829
"922505"	543.293886	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M-H+CF3COOH"	112.985586
"1294838"	579.270564	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Cl+CF3COOH"	148.962264
"1374094"	395.295624	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H-2H2O"	-35.012676
"1387214"	413.3056	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H-H2O"	-17.0027
"293465"	861.623876	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+H"	1.007276
"685885"	1291.932176	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+H"	1.007276
"1355673"	431.315576	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H"	1.007276
"126126"	431.315576	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+2H"	2.014552
"566538"	646.469726	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+2H"	2.014552
"1040203"	216.161426	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2H"	2.014552
"205182"	287.879476	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+3H"	3.021828
"649852"	431.315576	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+3H"	3.021828
"1165786"	144.443376	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+3H"	3.021828
"426871"	878.650423	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+NH4"	18.033823
"788229"	1308.958723	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+NH4"	18.033823
"1682127"	448.342123	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+NH4"	18.033823
"330652"	439.8288495	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+H+NH4"	19.041099
"723438"	654.9829995	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+H+NH4"	19.041099
"1479813"	224.6746995	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H+NH4"	19.041099
"393753"	883.605818	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+Na"	22.989218
"754745"	1313.914118	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+Na"	22.989218
"1614889"	453.297518	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Na"	22.989218
"324194"	442.306547	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+H+Na"	23.996494
"712239"	657.460697	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+H+Na"	23.996494
"1467154"	227.152397	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H+Na"	23.996494
"1059306"	151.77069	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2H+Na"	25.00377
"1270836"	463.341786	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+CH3OH+H"	33.033486
"386124"	899.579758	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+K"	38.963158
"750405"	1329.888058	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+K"	38.963158
"1554165"	469.271458	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+K"	38.963158
"313285"	450.293517	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+H+K"	39.970434
"706195"	665.447667	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+H+K"	39.970434
"1460621"	235.139367	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H+K"	39.970434
"250683"	902.650426	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+ACN+H"	42.033826
"1217188"	472.342126	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+ACN+H"	42.033826
"1205810"	236.674701	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+ACN+2H"	43.041102
"201232"	905.58776	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+2Na-H"	44.97116
"639697"	1335.89606	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+2Na-H"	44.97116
"1140286"	475.27946	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2Na-H"	44.97116
"179204"	453.297518	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+2Na"	45.978436
"618763"	668.451668	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+2Na"	45.978436
"1122268"	238.143368	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2Na"	45.978436
"1401420"	159.098004	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H+2Na"	46.985712
"1441201"	477.321046	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H+HCOOH"	47.012746
"232725"	458.33054	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+3H2O+2H"	56.04448
"1523222"	491.37309	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+IsoProp+H"	61.06479
"419743"	461.284488	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+Na+K"	61.952376
"781831"	676.438638	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+Na+K"	61.952376
"1678164"	246.130338	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Na+K"	61.952376
"264321"	924.632368	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+ACN+Na"	64.015768
"1231926"	494.324068	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+ACN+Na"	64.015768
"1725550"	494.347593	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+NH4+HCOOH"	64.039293
"1188351"	166.425318	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+3Na"	68.967654
"1656058"	499.302988	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Na+HCOOH"	68.994688
"166200"	937.53564	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+2K-H"	76.91904
"610133"	1367.84394	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+2K-H"	76.91904
"1094648"	507.22734	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2K-H"	76.91904
"144902"	469.271458	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"2M+2K"	77.926316
"587743"	684.425608	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"3M+2K"	77.926316
"1076630"	254.117308	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2K"	77.926316
"1114580"	509.241892	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2K+H"	78.933592
"1347321"	509.329507	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+DMSO+H"	79.021207
"1018036"	513.368676	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2ACN+H"	83.060376
"1536163"	514.362308	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+IsoProp+Na+H"	84.054008
"996050"	257.187976	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+2ACN+2H"	84.067652
"1593833"	515.276928	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+K+HCOOH"	84.968628
"1418401"	545.308438	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+H+CF3COOH"	115.000138
"1155255"	277.701251	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+3ACN+2H"	125.094202
"1705900"	562.334985	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+NH4+CF3COOH"	132.026685
"1640458"	567.29038	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+Na+CF3COOH"	136.98208
"1581576"	583.26432	"C16498"	"222-Dideoxy-3-dehydroecdysone"	"C27H42O4"	"430.3083"	"M+K+CF3COOH"	152.95602
"802464"	480.3087	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M"	0
"978911"	461.29031	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-H2O-H"	-19.01839
"68247"	319.198524	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M-3H"	-3.021828
"505620"	479.301424	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M-3H"	-3.021828
"885606"	159.095624	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-3H"	-3.021828
"2362"	479.301424	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M-2H"	-2.014552
"442289"	719.455774	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M-2H"	-2.014552
"819725"	239.147074	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-2H"	-2.014552
"83724"	959.610124	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M-H"	-1.007276
"522556"	1439.918824	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M-H"	-1.007276
"898902"	479.301424	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-H"	-1.007276
"51454"	976.636671	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M-2H+NH4"	16.019271
"491746"	1456.945371	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M-2H+NH4"	16.019271
"869909"	496.327971	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-2H+NH4"	16.019271
"35264"	981.592066	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M-2H+Na"	20.974666
"478107"	1461.900766	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M-2H+Na"	20.974666
"850806"	501.283366	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-2H+Na"	20.974666
"1626542"	501.283366	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Na-2H"	20.974666
"103070"	497.289763	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M-H+Cl"	33.962126
"543724"	737.444113	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M-H+Cl"	33.962126
"937237"	257.135413	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-H+Cl"	33.962126
"274703"	995.586802	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+Cl"	34.969402
"664936"	1475.895502	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+Cl"	34.969402
"1277338"	515.278102	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Cl"	34.969402
"16730"	997.566006	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M-2H+K"	36.948606
"456539"	1477.874706	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M-2H+K"	36.948606
"833281"	517.257306	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-2H+K"	36.948606
"1556243"	517.257306	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+K-2H"	36.948606
"943882"	525.306894	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-H+HCOOH"	44.998194
"362829"	1005.615601	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+HCOOH-H"	44.998201
"352553"	1019.631251	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+Hac-H"	59.013851
"1502848"	539.322551	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Hac-H"	59.013851
"966016"	547.288851	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-H+NaCOOH"	66.980151
"117110"	515.278102	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+2Cl"	69.938804
"558132"	755.432452	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+2Cl"	69.938804
"1029848"	275.123752	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2Cl"	69.938804
"1253436"	559.227585	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Br"	78.918885
"1314062"	561.283572	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Cl+HCOOH"	80.974872
"1324996"	583.265529	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Cl+NaCOOH"	102.956829
"922615"	593.294286	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M-H+CF3COOH"	112.985586
"1293855"	629.270964	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Cl+CF3COOH"	148.962264
"1373111"	445.296024	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H-2H2O"	-35.012676
"1386230"	463.306	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H-H2O"	-17.0027
"293575"	961.624676	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+H"	1.007276
"680526"	1441.933376	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+H"	1.007276
"1352863"	481.315976	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H"	1.007276
"126842"	481.315976	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+2H"	2.014552
"566764"	721.470326	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+2H"	2.014552
"1038490"	241.161626	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2H"	2.014552
"204928"	321.213076	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+3H"	3.021828
"649962"	481.315976	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+3H"	3.021828
"1165167"	161.110176	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+3H"	3.021828
"427709"	978.651223	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+NH4"	18.033823
"786515"	1458.959923	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+NH4"	18.033823
"1682479"	498.342523	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+NH4"	18.033823
"331127"	489.8292495	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+H+NH4"	19.041099
"723303"	729.9835995	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+H+NH4"	19.041099
"1478099"	249.6748995	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H+NH4"	19.041099
"396416"	983.606618	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+Na"	22.989218
"754490"	1463.915318	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+Na"	22.989218
"1609891"	503.297918	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Na"	22.989218
"322116"	492.306947	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+H+Na"	23.996494
"711255"	732.461297	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+H+Na"	23.996494
"1466171"	252.152597	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H+Na"	23.996494
"1057230"	168.43749	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2H+Na"	25.00377
"1271917"	513.342186	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+CH3OH+H"	33.033486
"385141"	999.580558	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+K"	38.963158
"751604"	1479.889258	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+K"	38.963158
"1554278"	519.271858	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+K"	38.963158
"313275"	500.293917	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+H+K"	39.970434
"706178"	740.448267	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+H+K"	39.970434
"1460853"	260.139567	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H+K"	39.970434
"247870"	1002.651226	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+ACN+H"	42.033826
"1216204"	522.342526	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+ACN+H"	42.033826
"1205555"	261.674901	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+ACN+2H"	43.041102
"196238"	1005.58856	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+2Na-H"	44.97116
"640172"	1485.89726	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+2Na-H"	44.97116
"1144769"	525.27986	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2Na-H"	44.97116
"179314"	503.297918	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+2Na"	45.978436
"618873"	743.452268	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+2Na"	45.978436
"1120191"	263.143568	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2Na"	45.978436
"1400436"	175.764804	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H+2Na"	46.985712
"1439123"	527.321446	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H+HCOOH"	47.012746
"225544"	508.33094	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+3H2O+2H"	56.04448
"1521259"	541.37349	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+IsoProp+H"	61.06479
"417665"	511.284888	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+Na+K"	61.952376
"779754"	751.439238	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+Na+K"	61.952376
"1677176"	271.130538	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Na+K"	61.952376
"260416"	1024.633168	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+ACN+Na"	64.015768
"1237500"	544.324468	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+ACN+Na"	64.015768
"1717638"	544.347993	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+NH4+HCOOH"	64.039293
"1185179"	183.092118	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+3Na"	68.967654
"1658355"	549.303388	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Na+HCOOH"	68.994688
"166310"	1037.53644	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+2K-H"	76.91904
"600402"	1517.84514	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+2K-H"	76.91904
"1094758"	557.22774	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2K-H"	76.91904
"143188"	519.271858	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"2M+2K"	77.926316
"587853"	759.426208	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"3M+2K"	77.926316
"1076740"	279.117508	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2K"	77.926316
"1115493"	559.242292	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2K+H"	78.933592
"1346337"	559.329907	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+DMSO+H"	79.021207
"1019239"	563.369076	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2ACN+H"	83.060376
"1536273"	564.362708	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+IsoProp+Na+H"	84.054008
"996160"	282.188176	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+2ACN+2H"	84.067652
"1593943"	565.277328	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+K+HCOOH"	84.968628
"1418511"	595.308838	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+H+CF3COOH"	115.000138
"1155365"	302.701451	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+3ACN+2H"	125.094202
"1706010"	612.335385	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+NH4+CF3COOH"	132.026685
"1640568"	617.29078	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+Na+CF3COOH"	136.98208
"1581686"	633.26472	"C16499"	"26-Hydroxyecdysone"	"C27H44O7"	"480.3087"	"M+K+CF3COOH"	152.95602
"806583"	496.3036	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M"	0
"982301"	477.28521	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-H2O-H"	-19.01839
"68357"	329.861790666667	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M-3H"	-3.021828
"505730"	495.296324	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M-3H"	-3.021828
"887904"	164.427257333333	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-3H"	-3.021828
"8666"	495.296324	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M-2H"	-2.014552
"442393"	743.448124	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M-2H"	-2.014552
"822751"	247.144524	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-2H"	-2.014552
"84927"	991.599924	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M-H"	-1.007276
"525578"	1487.903524	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M-H"	-1.007276
"900103"	495.296324	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-H"	-1.007276
"53383"	1008.626471	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M-2H+NH4"	16.019271
"494036"	1504.930071	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M-2H+NH4"	16.019271
"868560"	512.322871	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-2H+NH4"	16.019271
"37560"	1013.581866	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M-2H+Na"	20.974666
"478217"	1509.885466	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M-2H+Na"	20.974666
"852738"	517.278266	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-2H+Na"	20.974666
"1626652"	517.278266	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Na-2H"	20.974666
"100993"	513.284663	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M-H+Cl"	33.962126
"541647"	761.436463	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M-H+Cl"	33.962126
"932973"	265.132863	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-H+Cl"	33.962126
"271895"	1027.576602	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+Cl"	34.969402
"661764"	1523.880202	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+Cl"	34.969402
"1275258"	531.273002	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Cl"	34.969402
"16840"	1029.555806	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M-2H+K"	36.948606
"456768"	1525.859406	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M-2H+K"	36.948606
"833513"	533.252206	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-2H+K"	36.948606
"1556470"	533.252206	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+K-2H"	36.948606
"943626"	541.301794	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-H+HCOOH"	44.998194
"362572"	1037.605401	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+HCOOH-H"	44.998201
"351935"	1051.621051	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+Hac-H"	59.013851
"1506238"	555.317451	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Hac-H"	59.013851
"967219"	563.283751	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-H+NaCOOH"	66.980151
"117220"	531.273002	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+2Cl"	69.938804
"554595"	779.424802	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+2Cl"	69.938804
"1029957"	283.121202	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2Cl"	69.938804
"1250629"	575.222485	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Br"	78.918885
"1314172"	577.278472	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Cl+HCOOH"	80.974872
"1324013"	599.260429	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Cl+NaCOOH"	102.956829
"922725"	609.289186	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M-H+CF3COOH"	112.985586
"1292505"	645.265864	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Cl+CF3COOH"	148.962264
"1373221"	461.290924	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H-2H2O"	-35.012676
"1384882"	479.3009	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H-H2O"	-17.0027
"292593"	993.614476	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+H"	1.007276
"678450"	1489.918076	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+H"	1.007276
"1352973"	497.310876	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H"	1.007276
"126830"	497.310876	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+2H"	2.014552
"567605"	745.462676	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+2H"	2.014552
"1037869"	249.159076	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2H"	2.014552
"205277"	331.876342666667	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+3H"	3.021828
"648979"	497.310876	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+3H"	3.021828
"1164913"	166.441809333333	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+3H"	3.021828
"427819"	1010.641023	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+NH4"	18.033823
"786991"	1506.944623	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+NH4"	18.033823
"1682957"	514.337423	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+NH4"	18.033823
"332697"	505.8241495	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+H+NH4"	19.041099
"723659"	753.9759495	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+H+NH4"	19.041099
"1478209"	257.6723495	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H+NH4"	19.041099
"394339"	1015.596418	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+Na"	22.989218
"754439"	1511.900018	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+Na"	22.989218
"1605626"	519.292818	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Na"	22.989218
"320038"	508.301847	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+H+Na"	23.996494
"711365"	756.453647	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+H+Na"	23.996494
"1465185"	260.150047	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H+Na"	23.996494
"1056247"	173.769123333333	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2H+Na"	25.00377
"1264488"	529.337086	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+CH3OH+H"	33.033486
"387437"	1031.570358	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+K"	38.963158
"745152"	1527.873958	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+K"	38.963158
"1554861"	535.266758	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+K"	38.963158
"313864"	516.288817	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+H+K"	39.970434
"706287"	764.440617	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+H+K"	39.970434
"1461293"	268.137017	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H+K"	39.970434
"250896"	1034.641026	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+ACN+H"	42.033826
"1215221"	538.337426	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+ACN+H"	42.033826
"1206758"	269.672351	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+ACN+2H"	43.041102
"197441"	1037.57836	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+2Na-H"	44.97116
"643562"	1533.88196	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+2Na-H"	44.97116
"1143786"	541.27476	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2Na-H"	44.97116
"179424"	519.292818	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+2Na"	45.978436
"620075"	767.444618	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+2Na"	45.978436
"1120665"	271.141018	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2Na"	45.978436
"1400910"	181.096437333333	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H+2Na"	46.985712
"1439233"	543.316346	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H+HCOOH"	47.012746
"225654"	524.32584	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+3H2O+2H"	56.04448
"1520276"	557.36839	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+IsoProp+H"	61.06479
"421053"	527.279788	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+Na+K"	61.952376
"782415"	775.431588	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+Na+K"	61.952376
"1672911"	279.127988	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Na+K"	61.952376
"259433"	1056.622968	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+ACN+Na"	64.015768
"1226676"	560.319368	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+ACN+Na"	64.015768
"1714469"	560.342893	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+NH4+HCOOH"	64.039293
"1183099"	188.423751333333	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+3Na"	68.967654
"1655185"	565.298288	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Na+HCOOH"	68.994688
"166420"	1069.52624	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+2K-H"	76.91904
"600512"	1565.82984	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+2K-H"	76.91904
"1095961"	573.22264	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2K-H"	76.91904
"142327"	535.266758	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"2M+2K"	77.926316
"587963"	783.418558	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"3M+2K"	77.926316
"1077943"	287.114958	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2K"	77.926316
"1115371"	575.237192	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2K+H"	78.933592
"1348513"	575.324807	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+DMSO+H"	79.021207
"1018864"	579.363976	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2ACN+H"	83.060376
"1533103"	580.357608	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+IsoProp+Na+H"	84.054008
"996270"	290.185626	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+2ACN+2H"	84.067652
"1594053"	581.272228	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+K+HCOOH"	84.968628
"1418621"	611.303738	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+H+CF3COOH"	115.000138
"1155475"	310.698901	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+3ACN+2H"	125.094202
"1702840"	628.330285	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+NH4+CF3COOH"	132.026685
"1640678"	633.28568	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+Na+CF3COOH"	136.98208
"1581796"	649.25962	"C16500"	"2026-Dihydroxyecdysone"	"C27H44O8"	"496.3036"	"M+K+CF3COOH"	152.95602
"804507"	236.1776	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M"	0
"979133"	217.15921	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"68467"	156.444457333333	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"505840"	235.170324	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"885828"	77.7185906666667	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"1973"	235.170324	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"441050"	353.259124	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"820674"	117.081524	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"81754"	471.347924	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"522773"	707.525524	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"901304"	235.170324	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"54584"	488.374471	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"492330"	724.552071	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"873052"	252.196871	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"39861"	493.329866	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"478327"	729.507466	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"860510"	257.152266	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1632230"	257.152266	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"106571"	253.158663	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"542850"	371.247463	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"941106"	135.069863	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"272736"	507.324602	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"661876"	743.502202	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1274641"	271.147002	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"19021"	509.303806	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"455721"	745.481406	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"834066"	273.126206	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1555974"	273.126206	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"943373"	281.175794	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"366336"	517.353401	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"359826"	531.369051	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1501976"	295.191451	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"967332"	303.157751	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"117334"	271.147002	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"554707"	389.235802	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1026787"	153.058202	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1250739"	315.096485	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1313188"	317.152472	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1328495"	339.134429	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"919553"	349.163186	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1295170"	385.139864	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1370414"	201.164924	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1398128"	219.1749	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"293067"	473.362476	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"682935"	709.540076	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1353812"	237.184876	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"126820"	237.184876	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"570640"	355.273676	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1038951"	119.096076	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"210625"	158.459009333333	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"649091"	237.184876	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1167212"	79.7331426666667	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"426839"	490.389023	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"788928"	726.566623	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1682339"	254.211423	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"330980"	245.6981495	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"723405"	363.7869495	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1480144"	127.6093495	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"393069"	495.344418	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"755813"	731.522018	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1610112"	259.166818	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"317960"	248.175847	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"709288"	366.264647	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1471862"	130.087047	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1066202"	87.0604566666667	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1270070"	269.211086	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"392536"	511.318358	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"753898"	747.495958	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1555386"	275.140758	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"313977"	256.162817	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"704570"	374.251617	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1456203"	138.074017	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"243717"	514.389026	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1212051"	278.211426	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1199214"	139.609351	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"195364"	517.32636	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"637111"	753.50396	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1138432"	281.14876	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"177710"	259.166818	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"616907"	377.255618	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1120414"	141.078018	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1411241"	94.3877706666667	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1442629"	283.190346	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"226856"	264.19984	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1518200"	297.24239	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"418979"	267.153788	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"783618"	385.242588	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1670838"	149.064988	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"258449"	536.370968	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1235535"	300.193368	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1716400"	300.216893	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1186498"	101.715084666667	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1656390"	305.172288	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"164344"	549.27424	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"610469"	785.45184	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1094979"	313.09664	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"153981"	275.140758	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"590261"	393.229558	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1074775"	157.051958	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1110171"	315.111192	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1348502"	315.198807	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1013995"	319.237976	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1533213"	320.231608	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"996381"	160.122626	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1588453"	321.146228	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1424204"	351.177738	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1155585"	180.635901	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1702951"	368.204285	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1637507"	373.15968	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1581907"	389.13362	"C16502"	"Farnesoic acid;transtrans-Farnesoic acid;(2E6E)-Farnesoate"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"803524"	250.1933	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M"	0
"979243"	231.17491	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-H2O-H"	-19.01839
"71857"	165.788257333333	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M-3H"	-3.021828
"507043"	249.186024	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M-3H"	-3.021828
"885937"	82.3904906666667	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-3H"	-3.021828
"7791"	249.186024	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M-2H"	-2.014552
"440796"	374.282674	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M-2H"	-2.014552
"820784"	124.089374	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-2H"	-2.014552
"81138"	499.379324	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M-H"	-1.007276
"519242"	749.572624	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M-H"	-1.007276
"898136"	249.186024	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-H"	-1.007276
"51781"	516.405871	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M-2H+NH4"	16.019271
"490984"	766.599171	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M-2H+NH4"	16.019271
"870979"	266.212571	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-2H+NH4"	16.019271
"39971"	521.361266	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M-2H+Na"	20.974666
"476254"	771.554566	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M-2H+Na"	20.974666
"860620"	271.167966	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-2H+Na"	20.974666
"1631246"	271.167966	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Na-2H"	20.974666
"104494"	267.174363	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M-H+Cl"	33.962126
"541867"	392.271013	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M-H+Cl"	33.962126
"940851"	142.077713	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-H+Cl"	33.962126
"272846"	535.356002	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+Cl"	34.969402
"661986"	785.549302	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+Cl"	34.969402
"1274024"	285.162702	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Cl"	34.969402
"16945"	537.335206	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M-2H+K"	36.948606
"456136"	787.528506	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M-2H+K"	36.948606
"832999"	287.141906	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-2H+K"	36.948606
"1555680"	287.141906	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+K-2H"	36.948606
"942888"	295.191494	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-H+HCOOH"	44.998194
"364989"	545.384801	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+HCOOH-H"	44.998201
"358724"	559.400451	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+Hac-H"	59.013851
"1505364"	309.207151	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Hac-H"	59.013851
"965617"	317.173451	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-H+NaCOOH"	66.980151
"121453"	285.162702	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+2Cl"	69.938804
"555910"	410.259352	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+2Cl"	69.938804
"1030178"	160.066052	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2Cl"	69.938804
"1253035"	329.112185	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Br"	78.918885
"1317671"	331.168172	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Cl+HCOOH"	80.974872
"1326419"	353.150129	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Cl+NaCOOH"	102.956829
"922945"	363.178886	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M-H+CF3COOH"	112.985586
"1296373"	399.155564	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Cl+CF3COOH"	148.962264
"1370160"	215.180624	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H-2H2O"	-35.012676
"1398393"	233.1906	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H-H2O"	-17.0027
"293541"	501.393876	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+H"	1.007276
"681952"	751.587176	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+H"	1.007276
"1352830"	251.200576	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H"	1.007276
"127173"	251.200576	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+2H"	2.014552
"570750"	376.297226	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+2H"	2.014552
"1038819"	126.103926	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2H"	2.014552
"211828"	167.802809333333	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+3H"	3.021828
"648108"	251.200576	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+3H"	3.021828
"1166230"	84.4050426666667	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+3H"	3.021828
"426220"	518.420423	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+NH4"	18.033823
"787217"	768.613723	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+NH4"	18.033823
"1682813"	268.227123	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+NH4"	18.033823
"330848"	259.7138495	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+H+NH4"	19.041099
"723878"	384.8104995	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+H+NH4"	19.041099
"1478188"	134.6171995	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H+NH4"	19.041099
"394558"	523.375818	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+Na"	22.989218
"755559"	773.569118	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+Na"	22.989218
"1608035"	273.182518	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Na"	22.989218
"318070"	262.191547	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+H+Na"	23.996494
"710492"	387.288197	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+H+Na"	23.996494
"1469785"	137.094897	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H+Na"	23.996494
"1063032"	91.7323566666667	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2H+Na"	25.00377
"1267993"	283.226786	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+CH3OH+H"	33.033486
"392399"	539.349758	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+K"	38.963158
"752668"	789.543058	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+K"	38.963158
"1555088"	289.156458	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+K"	38.963158
"312262"	270.178517	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+H+K"	39.970434
"704680"	395.275167	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+H+K"	39.970434
"1456313"	145.081867	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H+K"	39.970434
"239453"	542.420426	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+ACN+H"	42.033826
"1213255"	292.227126	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+ACN+H"	42.033826
"1197137"	146.617201	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+ACN+2H"	43.041102
"196569"	545.35776	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+2Na-H"	44.97116
"638315"	795.55106	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+2Na-H"	44.97116
"1136356"	295.16446	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2Na-H"	44.97116
"178550"	273.182518	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+2Na"	45.978436
"617018"	398.279168	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+2Na"	45.978436
"1119431"	148.085868	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2Na"	45.978436
"1412443"	99.0596706666667	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H+2Na"	46.985712
"1438363"	297.206046	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H+HCOOH"	47.012746
"228060"	278.21554	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+3H2O+2H"	56.04448
"1515029"	311.25809	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+IsoProp+H"	61.06479
"414713"	281.169488	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+Na+K"	61.952376
"778990"	406.266138	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+Na+K"	61.952376
"1669852"	156.072838	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Na+K"	61.952376
"256734"	564.402368	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+ACN+Na"	64.015768
"1230178"	314.209068	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+ACN+Na"	64.015768
"1715414"	314.232593	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+NH4+HCOOH"	64.039293
"1193171"	106.386984666667	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+3Na"	68.967654
"1656500"	319.187988	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Na+HCOOH"	68.994688
"164454"	577.30564	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+2K-H"	76.91904
"611670"	827.49894	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+2K-H"	76.91904
"1093995"	327.11234	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2K-H"	76.91904
"151904"	289.156458	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"2M+2K"	77.926316
"584903"	414.253108	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"3M+2K"	77.926316
"1075978"	164.059808	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2K"	77.926316
"1110280"	329.126892	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2K+H"	78.933592
"1348733"	329.214507	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+DMSO+H"	79.021207
"1013012"	333.253676	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2ACN+H"	83.060376
"1533323"	334.247308	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+IsoProp+Na+H"	84.054008
"996491"	167.130476	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+2ACN+2H"	84.067652
"1588320"	335.161928	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+K+HCOOH"	84.968628
"1425407"	365.193438	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+H+CF3COOH"	115.000138
"1155695"	187.643751	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+3ACN+2H"	125.094202
"1703061"	382.219985	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+NH4+CF3COOH"	132.026685
"1637617"	387.17538	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+Na+CF3COOH"	136.98208
"1582017"	403.14932	"C16503"	"Methyl farnesoate;Methyl (2E6E)-farnesoate"	"C16H26O2"	"250.1933"	"M+K+CF3COOH"	152.95602
"802541"	252.1725	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M"	0
"980445"	233.15411	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-H2O-H"	-19.01839
"70874"	167.107724	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M-3H"	-3.021828
"511526"	251.165224	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M-3H"	-3.021828
"889328"	83.050224	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-3H"	-3.021828
"8996"	251.165224	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M-2H"	-2.014552
"442360"	377.251474	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M-2H"	-2.014552
"822349"	125.078974	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-2H"	-2.014552
"81978"	503.337724	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M-H"	-1.007276
"520810"	755.510224	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M-H"	-1.007276
"900434"	251.165224	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-H"	-1.007276
"52621"	520.364271	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M-2H+NH4"	16.019271
"491095"	772.536771	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M-2H+NH4"	16.019271
"871089"	268.191771	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-2H+NH4"	16.019271
"37895"	525.319666	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M-2H+Na"	20.974666
"476364"	777.492166	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M-2H+Na"	20.974666
"860730"	273.147166	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-2H+Na"	20.974666
"1631356"	273.147166	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Na-2H"	20.974666
"104604"	269.153563	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M-H+Cl"	33.962126
"541977"	395.239813	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M-H+Cl"	33.962126
"940598"	143.067313	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-H+Cl"	33.962126
"272956"	539.314402	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+Cl"	34.969402
"663190"	791.486902	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+Cl"	34.969402
"1274500"	287.141902	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Cl"	34.969402
"19241"	541.293606	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M-2H+K"	36.948606
"458071"	793.466106	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M-2H+K"	36.948606
"833318"	289.121106	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-2H+K"	36.948606
"1557902"	289.121106	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+K-2H"	36.948606
"949066"	297.170694	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-H+HCOOH"	44.998194
"364370"	549.343201	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+HCOOH-H"	44.998201
"347523"	563.358851	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+Hac-H"	59.013851
"1501098"	311.186351	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Hac-H"	59.013851
"968643"	319.152651	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-H+NaCOOH"	66.980151
"119741"	287.141902	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+2Cl"	69.938804
"556384"	413.228152	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+2Cl"	69.938804
"1029193"	161.055652	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2Cl"	69.938804
"1247682"	331.091385	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Br"	78.918885
"1317421"	333.147372	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Cl+HCOOH"	80.974872
"1327624"	355.129329	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Cl+NaCOOH"	102.956829
"915400"	365.158086	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M-H+CF3COOH"	112.985586
"1291378"	401.134764	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Cl+CF3COOH"	148.962264
"1370634"	217.159824	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H-2H2O"	-35.012676
"1397251"	235.1698	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H-H2O"	-17.0027
"293651"	505.352276	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+H"	1.007276
"680969"	757.524776	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+H"	1.007276
"1352211"	253.179776	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H"	1.007276
"126554"	253.179776	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+2H"	2.014552
"568674"	379.266026	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+2H"	2.014552
"1038929"	127.093526	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2H"	2.014552
"210845"	169.122276	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+3H"	3.021828
"649311"	253.179776	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+3H"	3.021828
"1166340"	85.064776	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+3H"	3.021828
"426332"	522.378823	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+NH4"	18.033823
"790607"	774.551323	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+NH4"	18.033823
"1685842"	270.206323	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+NH4"	18.033823
"334122"	261.6930495	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+H+NH4"	19.041099
"724355"	387.7792995	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+H+NH4"	19.041099
"1480363"	135.6067995	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H+NH4"	19.041099
"395763"	527.334218	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+Na"	22.989218
"755060"	779.506718	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+Na"	22.989218
"1608145"	275.161718	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Na"	22.989218
"317087"	264.170747	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+H+Na"	23.996494
"709508"	390.256997	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+H+Na"	23.996494
"1468802"	138.084497	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H+Na"	23.996494
"1060955"	92.39209	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2H+Na"	25.00377
"1268102"	285.205986	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+CH3OH+H"	33.033486
"391049"	543.308158	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+K"	38.963158
"752049"	795.480658	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+K"	38.963158
"1553982"	291.135658	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+K"	38.963158
"312007"	272.157717	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+H+K"	39.970434
"703697"	398.243967	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+H+K"	39.970434
"1458610"	146.071467	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H+K"	39.970434
"239563"	546.378826	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+ACN+H"	42.033826
"1215552"	294.206326	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+ACN+H"	42.033826
"1201622"	147.606801	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+ACN+2H"	43.041102
"193399"	549.31616	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+2Na-H"	44.97116
"640248"	801.48866	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+2Na-H"	44.97116
"1137557"	297.14366	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2Na-H"	44.97116
"178660"	275.161718	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+2Na"	45.978436
"617125"	401.247968	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+2Na"	45.978436
"1119540"	149.075468	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2Na"	45.978436
"1413282"	99.719404	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H+2Na"	46.985712
"1440659"	299.185246	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H+HCOOH"	47.012746
"228170"	280.19474	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+3H2O+2H"	56.04448
"1517325"	313.23729	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+IsoProp+H"	61.06479
"419195"	283.148688	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+Na+K"	61.952376
"780193"	409.234938	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+Na+K"	61.952376
"1669964"	157.062438	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Na+K"	61.952376
"256481"	568.360768	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+ACN+Na"	64.015768
"1230288"	316.188268	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+ACN+Na"	64.015768
"1715890"	316.211793	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+NH4+HCOOH"	64.039293
"1187811"	107.046718	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+3Na"	68.967654
"1651870"	321.167188	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Na+HCOOH"	68.994688
"162377"	581.26404	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+2K-H"	76.91904
"611659"	833.43654	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+2K-H"	76.91904
"1094105"	329.09154	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2K-H"	76.91904
"152014"	291.135658	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"2M+2K"	77.926316
"583920"	417.221908	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"3M+2K"	77.926316
"1073901"	165.049408	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2K"	77.926316
"1106016"	331.106092	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2K+H"	78.933592
"1346776"	331.193707	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+DMSO+H"	79.021207
"1012028"	335.232876	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2ACN+H"	83.060376
"1531246"	336.226508	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+IsoProp+Na+H"	84.054008
"996601"	168.120076	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+2ACN+2H"	84.067652
"1587577"	337.141128	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+K+HCOOH"	84.968628
"1425521"	367.172638	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+H+CF3COOH"	115.000138
"1159089"	188.633351	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+3ACN+2H"	125.094202
"1699891"	384.199185	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+NH4+CF3COOH"	132.026685
"1641009"	389.15458	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+Na+CF3COOH"	136.98208
"1582127"	405.12852	"C16504"	"Juvenile hormone III acid;Juvenile-hormone-III carboxylate;(2E6E10R)-1011-Epoxy-3711-trimethyldodeca-26-dienoate"	"C15H24O3"	"252.1725"	"M+K+CF3COOH"	152.95602
"802651"	284.1988	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M"	0
"976182"	265.18041	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-H2O-H"	-19.01839
"66609"	188.458590666667	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M-3H"	-3.021828
"507264"	283.191524	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M-3H"	-3.021828
"880933"	93.7256573333333	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-3H"	-3.021828
"1450"	283.191524	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M-2H"	-2.014552
"442107"	425.290924	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M-2H"	-2.014552
"822097"	141.092124	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-2H"	-2.014552
"82087"	567.390324	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M-H"	-1.007276
"521652"	851.589124	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M-H"	-1.007276
"900545"	283.191524	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-H"	-1.007276
"53825"	584.416871	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M-2H+NH4"	16.019271
"490474"	868.615671	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M-2H+NH4"	16.019271
"871199"	300.218071	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-2H+NH4"	16.019271
"33629"	589.372266	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M-2H+Na"	20.974666
"473188"	873.571066	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M-2H+Na"	20.974666
"854279"	305.173466	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-2H+Na"	20.974666
"1628186"	305.173466	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Na-2H"	20.974666
"101434"	301.179863	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M-H+Cl"	33.962126
"542087"	443.279263	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M-H+Cl"	33.962126
"938883"	159.080463	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-H+Cl"	33.962126
"273066"	603.367002	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+Cl"	34.969402
"660505"	887.565802	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+Cl"	34.969402
"1272900"	319.168202	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Cl"	34.969402
"15898"	605.346206	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M-2H+K"	36.948606
"456438"	889.545006	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M-2H+K"	36.948606
"835618"	321.147406	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-2H+K"	36.948606
"1558011"	321.147406	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+K-2H"	36.948606
"945895"	329.196994	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-H+HCOOH"	44.998194
"362293"	613.395801	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+HCOOH-H"	44.998201
"346902"	627.411451	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+Hac-H"	59.013851
"1494647"	343.212651	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Hac-H"	59.013851
"963285"	351.178951	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-H+NaCOOH"	66.980151
"110445"	319.168202	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+2Cl"	69.938804
"555763"	461.267602	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+2Cl"	69.938804
"1021927"	177.068802	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2Cl"	69.938804
"1241667"	363.117685	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Br"	78.918885
"1304316"	365.173672	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Cl+HCOOH"	80.974872
"1320396"	387.155629	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Cl+NaCOOH"	102.956829
"911896"	397.184386	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M-H+CF3COOH"	112.985586
"1288641"	433.161064	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Cl+CF3COOH"	148.962264
"1370744"	249.186124	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H-2H2O"	-35.012676
"1392618"	267.1961	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H-H2O"	-17.0027
"290845"	569.404876	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+H"	1.007276
"681079"	853.603676	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+H"	1.007276
"1352441"	285.206076	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H"	1.007276
"129214"	285.206076	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+2H"	2.014552
"567691"	427.305476	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+2H"	2.014552
"1038187"	143.106676	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2H"	2.014552
"210955"	190.473142666667	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+3H"	3.021828
"647232"	285.206076	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+3H"	3.021828
"1166450"	95.7402093333333	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+3H"	3.021828
"430814"	586.431423	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+NH4"	18.033823
"791809"	870.630223	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+NH4"	18.033823
"1690327"	302.232623	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+NH4"	18.033823
"337511"	293.7193495	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+H+NH4"	19.041099
"726653"	435.8187495	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+H+NH4"	19.041099
"1480473"	151.6199495	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H+NH4"	19.041099
"396965"	591.386818	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+Na"	22.989218
"757965"	875.585618	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+Na"	22.989218
"1604971"	307.188018	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Na"	22.989218
"317196"	296.197047	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+H+Na"	23.996494
"708525"	438.296447	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+H+Na"	23.996494
"1465630"	154.097647	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H+Na"	23.996494
"1059970"	103.067523333333	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2H+Na"	25.00377
"1267117"	317.232286	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+CH3OH+H"	33.033486
"384598"	607.360758	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+K"	38.963158
"752523"	891.559558	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+K"	38.963158
"1553119"	323.161958	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+K"	38.963158
"312846"	304.184017	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+H+K"	39.970434
"704900"	446.283417	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+H+K"	39.970434
"1459449"	162.084617	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H+K"	39.970434
"238579"	610.431426	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+ACN+H"	42.033826
"1215662"	326.232626	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+ACN+H"	42.033826
"1201732"	163.619951	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+ACN+2H"	43.041102
"196788"	613.36876	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+2Na-H"	44.97116
"641087"	897.56756	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+2Na-H"	44.97116
"1139853"	329.16996	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2Na-H"	44.97116
"180956"	307.188018	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+2Na"	45.978436
"618330"	449.287418	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+2Na"	45.978436
"1120743"	165.088618	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2Na"	45.978436
"1410843"	110.394837333333	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H+2Na"	46.985712
"1441134"	331.211546	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H+HCOOH"	47.012746
"228276"	312.22104	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+3H2O+2H"	56.04448
"1516342"	345.26359	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+IsoProp+H"	61.06479
"417848"	315.174988	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+Na+K"	61.952376
"777018"	457.274388	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+Na+K"	61.952376
"1671167"	173.075588	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Na+K"	61.952376
"255498"	632.413368	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+ACN+Na"	64.015768
"1228209"	348.214568	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+ACN+Na"	64.015768
"1717458"	348.238093	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+NH4+HCOOH"	64.039293
"1186828"	117.722151333333	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+3Na"	68.967654
"1651616"	353.193488	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Na+HCOOH"	68.994688
"158352"	645.31664	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+2K-H"	76.91904
"606422"	929.51544	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+2K-H"	76.91904
"1085466"	361.11784	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2K-H"	76.91904
"143011"	323.161958	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"2M+2K"	77.926316
"583297"	465.261358	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"3M+2K"	77.926316
"1074011"	181.062558	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2K"	77.926316
"1107219"	363.132392	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2K+H"	78.933592
"1345793"	363.220007	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+DMSO+H"	79.021207
"1008854"	367.259176	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2ACN+H"	83.060376
"1527341"	368.252808	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+IsoProp+Na+H"	84.054008
"991482"	184.133226	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+2ACN+2H"	84.067652
"1588777"	369.167428	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+K+HCOOH"	84.968628
"1426722"	399.198938	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+H+CF3COOH"	115.000138
"1160291"	204.646501	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+3ACN+2H"	125.094202
"1700001"	416.225485	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+NH4+CF3COOH"	132.026685
"1641119"	421.18088	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+Na+CF3COOH"	136.98208
"1582237"	437.15482	"C16505"	"(10S)-Juvenile hormone III diol"	"C16H28O4"	"284.1988"	"M+K+CF3COOH"	152.95602
"802761"	270.1831	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M"	0
"979572"	251.16471	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-H2O-H"	-19.01839
"65627"	179.114790666667	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M-3H"	-3.021828
"506281"	269.175824	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M-3H"	-3.021828
"881895"	89.0537573333333	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-3H"	-3.021828
"1317"	269.175824	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M-2H"	-2.014552
"444404"	404.267374	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M-2H"	-2.014552
"824394"	134.084274	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-2H"	-2.014552
"83293"	539.358924	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M-H"	-1.007276
"521758"	809.542024	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M-H"	-1.007276
"898101"	269.175824	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-H"	-1.007276
"51746"	556.385471	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M-2H+NH4"	16.019271
"490220"	826.568571	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M-2H+NH4"	16.019271
"872402"	286.202371	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-2H+NH4"	16.019271
"33010"	561.340866	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M-2H+Na"	20.974666
"474392"	831.523966	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M-2H+Na"	20.974666
"851109"	291.157766	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-2H+Na"	20.974666
"1628296"	291.157766	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Na-2H"	20.974666
"98264"	287.164163	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M-H+Cl"	33.962126
"542197"	422.255713	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M-H+Cl"	33.962126
"938993"	152.072613	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-H+Cl"	33.962126
"273176"	575.335602	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+Cl"	34.969402
"661343"	845.518702	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+Cl"	34.969402
"1273620"	305.152502	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Cl"	34.969402
"16418"	577.314806	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M-2H+K"	36.948606
"456832"	847.497906	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M-2H+K"	36.948606
"835728"	307.131706	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-2H+K"	36.948606
"1559215"	307.131706	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+K-2H"	36.948606
"944912"	315.181294	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-H+HCOOH"	44.998194
"362764"	585.364401	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+HCOOH-H"	44.998201
"346407"	599.380051	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+Hac-H"	59.013851
"1494028"	329.196951	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Hac-H"	59.013851
"963395"	337.163251	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-H+NaCOOH"	66.980151
"111204"	305.152502	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+2Cl"	69.938804
"555144"	440.244052	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+2Cl"	69.938804
"1022847"	170.060952	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2Cl"	69.938804
"1241692"	349.101985	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Br"	78.918885
"1304751"	351.157972	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Cl+HCOOH"	80.974872
"1320096"	373.139929	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Cl+NaCOOH"	102.956829
"912092"	383.168686	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M-H+CF3COOH"	112.985586
"1288916"	419.145364	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Cl+CF3COOH"	148.962264
"1369031"	235.170424	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H-2H2O"	-35.012676
"1393092"	253.1804	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H-H2O"	-17.0027
"290955"	541.373476	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+H"	1.007276
"681189"	811.556576	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+H"	1.007276
"1353524"	271.190376	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H"	1.007276
"126533"	271.190376	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+2H"	2.014552
"566701"	406.281926	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+2H"	2.014552
"1038418"	136.098826	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2H"	2.014552
"211065"	181.129342666667	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+3H"	3.021828
"644466"	271.190376	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+3H"	3.021828
"1165468"	91.0683093333333	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+3H"	3.021828
"427645"	558.400023	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+NH4"	18.033823
"793014"	828.583123	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+NH4"	18.033823
"1690439"	288.216923	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+NH4"	18.033823
"338715"	279.7036495	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+H+NH4"	19.041099
"728949"	414.7951995	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+H+NH4"	19.041099
"1480585"	144.6120995	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H+NH4"	19.041099
"400356"	563.355418	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+Na"	22.989218
"756253"	833.538518	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+Na"	22.989218
"1605081"	293.172318	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Na"	22.989218
"316213"	282.181347	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+H+Na"	23.996494
"708635"	417.272897	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+H+Na"	23.996494
"1464646"	147.089797	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H+Na"	23.996494
"1060080"	98.3956233333333	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2H+Na"	25.00377
"1266134"	303.216586	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+CH3OH+H"	33.033486
"382518"	579.329358	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+K"	38.963158
"752997"	849.512458	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+K"	38.963158
"1555135"	309.146258	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+K"	38.963158
"314015"	290.168317	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+H+K"	39.970434
"705984"	425.259867	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+H+K"	39.970434
"1460654"	155.076767	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H+K"	39.970434
"238688"	582.400026	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+ACN+H"	42.033826
"1213585"	312.216926	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+ACN+H"	42.033826
"1202936"	156.612101	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+ACN+2H"	43.041102
"196898"	585.33736	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+2Na-H"	44.97116
"638644"	855.52046	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+2Na-H"	44.97116
"1138869"	315.15426	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2Na-H"	44.97116
"182155"	293.172318	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+2Na"	45.978436
"623907"	428.263868	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+2Na"	45.978436
"1120853"	158.080768	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2Na"	45.978436
"1412773"	105.722937333333	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H+2Na"	46.985712
"1440515"	317.195846	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H+HCOOH"	47.012746
"230572"	298.20534	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+3H2O+2H"	56.04448
"1518274"	331.24789	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+IsoProp+H"	61.06479
"416501"	301.159288	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+Na+K"	61.952376
"776035"	436.250838	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+Na+K"	61.952376
"1672370"	166.067738	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Na+K"	61.952376
"254150"	604.381968	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+ACN+Na"	64.015768
"1229049"	334.198868	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+ACN+Na"	64.015768
"1716111"	334.222393	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+NH4+HCOOH"	64.039293
"1179283"	113.050251333333	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+3Na"	68.967654
"1651362"	339.177788	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Na+HCOOH"	68.994688
"158584"	617.28524	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+2K-H"	76.91904
"606532"	887.46834	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+2K-H"	76.91904
"1087763"	347.10214	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2K-H"	76.91904
"143486"	309.146258	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"2M+2K"	77.926316
"583526"	444.237808	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"3M+2K"	77.926316
"1077401"	174.054708	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2K"	77.926316
"1105142"	349.116692	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2K+H"	78.933592
"1345903"	349.204307	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+DMSO+H"	79.021207
"1007871"	353.243476	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2ACN+H"	83.060376
"1528183"	354.237108	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+IsoProp+Na+H"	84.054008
"992444"	177.125376	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+2ACN+2H"	84.067652
"1588407"	355.151728	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+K+HCOOH"	84.968628
"1425739"	385.183238	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+H+CF3COOH"	115.000138
"1161130"	197.638651	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+3ACN+2H"	125.094202
"1703390"	402.209785	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+NH4+CF3COOH"	132.026685
"1641229"	407.16518	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+Na+CF3COOH"	136.98208
"1582347"	423.13912	"C16506"	"(10S)-Juvenile hormone III acid diol"	"C15H26O4"	"270.1831"	"M+K+CF3COOH"	152.95602
"802871"	364.1651	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M"	0
"982962"	345.14671	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-H2O-H"	-19.01839
"66830"	241.769457333333	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M-3H"	-3.021828
"506391"	363.157824	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M-3H"	-3.021828
"882005"	120.381090666667	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-3H"	-3.021828
"2033"	363.157824	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M-2H"	-2.014552
"442327"	545.240374	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M-2H"	-2.014552
"824504"	181.075274	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-2H"	-2.014552
"85590"	727.322924	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M-H"	-1.007276
"520775"	1091.488024	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M-H"	-1.007276
"900763"	363.157824	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-H"	-1.007276
"50397"	744.349471	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M-2H+NH4"	16.019271
"489963"	1108.514571	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M-2H+NH4"	16.019271
"872512"	380.184371	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-2H+NH4"	16.019271
"32630"	749.304866	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M-2H+Na"	20.974666
"472433"	1113.469966	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M-2H+Na"	20.974666
"851219"	385.139766	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-2H+Na"	20.974666
"1625126"	385.139766	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Na-2H"	20.974666
"95700"	381.146163	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M-H+Cl"	33.962126
"535868"	563.228713	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M-H+Cl"	33.962126
"927801"	199.063613	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-H+Cl"	33.962126
"267691"	763.299602	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+Cl"	34.969402
"660271"	1127.464702	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+Cl"	34.969402
"1273487"	399.134502	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Cl"	34.969402
"16406"	765.278806	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M-2H+K"	36.948606
"459126"	1129.443906	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M-2H+K"	36.948606
"833647"	401.113706	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-2H+K"	36.948606
"1558229"	401.113706	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+K-2H"	36.948606
"949393"	409.163294	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-H+HCOOH"	44.998194
"363603"	773.328401	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+HCOOH-H"	44.998201
"346756"	787.344051	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+Hac-H"	59.013851
"1498147"	423.178951	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Hac-H"	59.013851
"961681"	431.145251	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-H+NaCOOH"	66.980151
"111072"	399.134502	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+2Cl"	69.938804
"554889"	581.217052	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+2Cl"	69.938804
"1021738"	217.051952	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2Cl"	69.938804
"1241394"	443.083985	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Br"	78.918885
"1304739"	445.139972	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Cl+HCOOH"	80.974872
"1321016"	467.121929	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Cl+NaCOOH"	102.956829
"911954"	477.150686	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M-H+CF3COOH"	112.985586
"1289149"	513.127364	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Cl+CF3COOH"	148.962264
"1368768"	329.152424	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H-2H2O"	-35.012676
"1383350"	347.1624	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H-H2O"	-17.0027
"285587"	729.337476	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+H"	1.007276
"676917"	1093.502576	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+H"	1.007276
"1353633"	365.172376	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H"	1.007276
"126887"	365.172376	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+2H"	2.014552
"567542"	547.254926	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+2H"	2.014552
"1038530"	183.089826	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2H"	2.014552
"206801"	243.784009333333	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+3H"	3.021828
"648547"	365.172376	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+3H"	3.021828
"1166670"	122.395642666667	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+3H"	3.021828
"426664"	746.364023	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+NH4"	18.033823
"792029"	1110.529123	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+NH4"	18.033823
"1686175"	382.198923	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+NH4"	18.033823
"336638"	373.6856495	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+H+NH4"	19.041099
"727967"	555.7681995	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+H+NH4"	19.041099
"1482881"	191.6030995	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H+NH4"	19.041099
"398281"	751.319418	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+Na"	22.989218
"758185"	1115.484518	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+Na"	22.989218
"1604098"	387.154318	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Na"	22.989218
"319597"	376.163347	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+H+Na"	23.996494
"709838"	558.245897	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+H+Na"	23.996494
"1465846"	194.080797	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H+Na"	23.996494
"1055449"	129.722956666667	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2H+Na"	25.00377
"1265150"	397.198586	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+CH3OH+H"	33.033486
"380442"	767.293358	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+K"	38.963158
"753109"	1131.458458	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+K"	38.963158
"1555329"	403.128258	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+K"	38.963158
"311240"	384.150317	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+H+K"	39.970434
"703298"	566.232867	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+H+K"	39.970434
"1452379"	202.067767	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H+K"	39.970434
"239891"	770.364026	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+ACN+H"	42.033826
"1214787"	406.198926	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+ACN+H"	42.033826
"1198673"	203.603101	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+ACN+2H"	43.041102
"194823"	773.30136	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+2Na-H"	44.97116
"638027"	1137.46646	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+2Na-H"	44.97116
"1134967"	409.13626	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2Na-H"	44.97116
"182998"	387.154318	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+2Na"	45.978436
"615269"	569.236868	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+2Na"	45.978436
"1119865"	205.071768	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2Na"	45.978436
"1412155"	137.050270666667	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H+2Na"	46.985712
"1442448"	411.177846	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H+HCOOH"	47.012746
"228496"	392.18734	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+3H2O+2H"	56.04448
"1518748"	425.22989	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+IsoProp+H"	61.06479
"420255"	395.141288	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+Na+K"	61.952376
"775052"	577.223838	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+Na+K"	61.952376
"1672480"	213.058738	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Na+K"	61.952376
"254990"	792.345968	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+ACN+Na"	64.015768
"1228064"	428.180868	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+ACN+Na"	64.015768
"1718769"	428.204393	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+NH4+HCOOH"	64.039293
"1181213"	144.377584666667	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+3Na"	68.967654
"1652924"	433.159788	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Na+HCOOH"	68.994688
"159180"	805.24924	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+2K-H"	76.91904
"606642"	1169.41434	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+2K-H"	76.91904
"1087873"	441.08414	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2K-H"	76.91904
"143596"	403.128258	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"2M+2K"	77.926316
"584247"	585.210808	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"3M+2K"	77.926316
"1070950"	221.045708	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2K"	77.926316
"1102698"	443.098692	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2K+H"	78.933592
"1344918"	443.186307	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+DMSO+H"	79.021207
"1009075"	447.225476	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2ACN+H"	83.060376
"1529385"	448.219108	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+IsoProp+Na+H"	84.054008
"993648"	224.116376	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+2ACN+2H"	84.067652
"1589606"	449.133728	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+K+HCOOH"	84.968628
"1428035"	479.165238	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+H+CF3COOH"	115.000138
"1161605"	244.629651	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+3ACN+2H"	125.094202
"1703500"	496.191785	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+NH4+CF3COOH"	132.026685
"1641339"	501.14718	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+Na+CF3COOH"	136.98208
"1582457"	517.12112	"C16507"	"(10S)-Juvenile hormone III diol phosphate"	"C16H29O7P"	"364.1651"	"M+K+CF3COOH"	152.95602
"806261"	282.1831	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M"	0
"980885"	263.16471	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-H2O-H"	-19.01839
"69126"	187.114790666667	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M-3H"	-3.021828
"509780"	281.175824	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M-3H"	-3.021828
"883208"	93.0537573333333	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-3H"	-3.021828
"2875"	281.175824	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M-2H"	-2.014552
"441343"	422.267374	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M-2H"	-2.014552
"823520"	140.084274	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-2H"	-2.014552
"85700"	563.358924	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M-H"	-1.007276
"521006"	845.542024	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M-H"	-1.007276
"900873"	281.175824	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-H"	-1.007276
"53059"	580.385471	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M-2H+NH4"	16.019271
"493715"	862.568571	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M-2H+NH4"	16.019271
"864840"	298.202371	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-2H+NH4"	16.019271
"31565"	585.340866	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M-2H+Na"	20.974666
"472662"	867.523966	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M-2H+Na"	20.974666
"854609"	303.157766	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-2H+Na"	20.974666
"1628516"	303.157766	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Na-2H"	20.974666
"95809"	299.164163	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M-H+Cl"	33.962126
"535978"	440.255713	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M-H+Cl"	33.962126
"928398"	158.072613	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-H+Cl"	33.962126
"269020"	599.335602	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+Cl"	34.969402
"663628"	881.518702	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+Cl"	34.969402
"1274937"	317.152502	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Cl"	34.969402
"18585"	601.314806	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M-2H+K"	36.948606
"457052"	883.497906	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M-2H+K"	36.948606
"835947"	319.131706	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-2H+K"	36.948606
"1559435"	319.131706	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+K-2H"	36.948606
"950597"	327.181294	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-H+HCOOH"	44.998194
"364442"	609.364401	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+HCOOH-H"	44.998201
"346988"	623.380051	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+Hac-H"	59.013851
"1495704"	341.196951	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Hac-H"	59.013851
"961426"	349.163251	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-H+NaCOOH"	66.980151
"110288"	317.152502	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+2Cl"	69.938804
"555728"	458.244052	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+2Cl"	69.938804
"1021687"	176.060952	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2Cl"	69.938804
"1243373"	361.101985	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Br"	78.918885
"1304729"	363.157972	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Cl+HCOOH"	80.974872
"1320765"	385.139929	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Cl+NaCOOH"	102.956829
"914374"	395.168686	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M-H+CF3COOH"	112.985586
"1292175"	431.145364	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Cl+CF3COOH"	148.962264
"1369974"	247.170424	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H-2H2O"	-35.012676
"1384555"	265.1804	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H-H2O"	-17.0027
"286064"	565.373476	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+H"	1.007276
"678849"	847.556576	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+H"	1.007276
"1355565"	283.190376	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H"	1.007276
"128456"	283.190376	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+2H"	2.014552
"569111"	424.281926	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+2H"	2.014552
"1039005"	142.098826	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2H"	2.014552
"204722"	189.129342666667	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+3H"	3.021828
"648657"	283.190376	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+3H"	3.021828
"1167875"	95.0683093333333	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+3H"	3.021828
"430053"	582.400023	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+NH4"	18.033823
"792141"	864.583123	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+NH4"	18.033823
"1688471"	300.216923	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+NH4"	18.033823
"336750"	291.7036495	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+H+NH4"	19.041099
"728077"	432.7951995	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+H+NH4"	19.041099
"1482992"	150.6120995	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H+NH4"	19.041099
"401672"	587.355418	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+Na"	22.989218
"760481"	869.538518	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+Na"	22.989218
"1607486"	305.172318	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Na"	22.989218
"317523"	294.181347	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+H+Na"	23.996494
"708125"	435.272897	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+H+Na"	23.996494
"1465956"	153.089797	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H+Na"	23.996494
"1053858"	102.395623333333	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2H+Na"	25.00377
"1265260"	315.216586	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+CH3OH+H"	33.033486
"382739"	603.329358	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+K"	38.963158
"753217"	885.512458	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+K"	38.963158
"1555557"	321.146258	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+K"	38.963158
"311350"	302.168317	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+H+K"	39.970434
"704865"	443.259867	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+H+K"	39.970434
"1455405"	161.076767	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H+K"	39.970434
"237086"	606.400026	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+ACN+H"	42.033826
"1212712"	324.216926	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+ACN+H"	42.033826
"1196231"	162.612101	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+ACN+2H"	43.041102
"192746"	609.33736	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+2Na-H"	44.97116
"632308"	891.52046	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+2Na-H"	44.97116
"1136901"	327.15426	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2Na-H"	44.97116
"176912"	305.172318	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+2Na"	45.978436
"617567"	446.263868	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+2Na"	45.978436
"1118153"	164.080768	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2Na"	45.978436
"1413116"	109.722937333333	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H+2Na"	46.985712
"1441826"	329.195846	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H+HCOOH"	47.012746
"227514"	310.20534	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+3H2O+2H"	56.04448
"1517765"	343.24789	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+IsoProp+H"	61.06479
"421459"	313.159288	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+Na+K"	61.952376
"776255"	454.250838	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+Na+K"	61.952376
"1671497"	172.067738	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Na+K"	61.952376
"255100"	628.381968	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+ACN+Na"	64.015768
"1228173"	346.198868	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+ACN+Na"	64.015768
"1717422"	346.222393	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+NH4+HCOOH"	64.039293
"1180595"	117.050251333333	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+3Na"	68.967654
"1651216"	351.177788	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Na+HCOOH"	68.994688
"158563"	641.28524	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+2K-H"	76.91904
"606752"	923.46834	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+2K-H"	76.91904
"1089076"	359.10214	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2K-H"	76.91904
"142855"	321.146258	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"2M+2K"	77.926316
"583264"	462.237808	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"3M+2K"	77.926316
"1071060"	180.054708	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2K"	77.926316
"1102445"	361.116692	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2K+H"	78.933592
"1343935"	361.204307	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+DMSO+H"	79.021207
"1007725"	365.243476	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2ACN+H"	83.060376
"1526216"	366.237108	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+IsoProp+Na+H"	84.054008
"994850"	183.125376	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+2ACN+2H"	84.067652
"1591540"	367.151728	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+K+HCOOH"	84.968628
"1414772"	397.183238	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+H+CF3COOH"	115.000138
"1161714"	203.638651	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+3ACN+2H"	125.094202
"1703610"	414.209785	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+NH4+CF3COOH"	132.026685
"1641449"	419.16518	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+Na+CF3COOH"	136.98208
"1582567"	435.13912	"C16508"	"12-trans-Hydroxy juvenile hormone III"	"C16H26O4"	"282.1831"	"M+K+CF3COOH"	152.95602
"803091"	414.3134	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M"	0
"979902"	395.29501	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-H2O-H"	-19.01839
"64863"	275.201657333333	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M-3H"	-3.021828
"507704"	413.306124	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M-3H"	-3.021828
"880442"	137.097190666667	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-3H"	-3.021828
"5172"	413.306124	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M-2H"	-2.014552
"441452"	620.462824	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M-2H"	-2.014552
"819619"	206.149424	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-2H"	-2.014552
"81437"	827.619524	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M-H"	-1.007276
"522091"	1241.932924	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M-H"	-1.007276
"899889"	413.306124	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-H"	-1.007276
"50983"	844.646071	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M-2H+NH4"	16.019271
"489452"	1258.959471	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M-2H+NH4"	16.019271
"865310"	430.332671	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-2H+NH4"	16.019271
"31458"	849.601466	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M-2H+Na"	20.974666
"471444"	1263.914866	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M-2H+Na"	20.974666
"848544"	435.288066	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-2H+Na"	20.974666
"1627533"	435.288066	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Na-2H"	20.974666
"95314"	431.294463	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M-H+Cl"	33.962126
"534276"	638.451163	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M-H+Cl"	33.962126
"927140"	224.137763	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-H+Cl"	33.962126
"268157"	863.596202	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+Cl"	34.969402
"660008"	1277.909602	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+Cl"	34.969402
"1273344"	449.282802	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Cl"	34.969402
"16750"	865.575406	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M-2H+K"	36.948606
"457162"	1279.888806	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M-2H+K"	36.948606
"836057"	451.262006	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-2H+K"	36.948606
"1558452"	451.262006	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+K-2H"	36.948606
"950707"	459.311594	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-H+HCOOH"	44.998194
"363457"	873.625001	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+HCOOH-H"	44.998201
"347705"	887.640651	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+Hac-H"	59.013851
"1494715"	473.327251	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Hac-H"	59.013851
"960444"	481.293551	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-H+NaCOOH"	66.980151
"110179"	449.282802	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+2Cl"	69.938804
"556569"	656.439502	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+2Cl"	69.938804
"1021443"	242.126102	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2Cl"	69.938804
"1241537"	493.232285	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Br"	78.918885
"1305931"	495.288272	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Cl+HCOOH"	80.974872
"1320512"	517.270229	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Cl+NaCOOH"	102.956829
"915943"	527.298986	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M-H+CF3COOH"	112.985586
"1291558"	563.275664	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Cl+CF3COOH"	148.962264
"1368626"	379.300724	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H-2H2O"	-35.012676
"1382967"	397.3107	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H-H2O"	-17.0027
"285811"	829.634076	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+H"	1.007276
"679325"	1243.947476	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+H"	1.007276
"1354582"	415.320676	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H"	1.007276
"128566"	415.320676	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+2H"	2.014552
"568129"	622.477376	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+2H"	2.014552
"1039479"	208.163976	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2H"	2.014552
"205318"	277.216209333333	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+3H"	3.021828
"648767"	415.320676	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+3H"	3.021828
"1169078"	139.111742666667	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+3H"	3.021828
"431256"	846.660623	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+NH4"	18.033823
"792251"	1260.974023	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+NH4"	18.033823
"1689675"	432.347223	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+NH4"	18.033823
"339047"	423.8339495	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+H+NH4"	19.041099
"730376"	630.9906495	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+H+NH4"	19.041099
"1485289"	216.6772495	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H+NH4"	19.041099
"400688"	851.616018	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+Na"	22.989218
"760590"	1265.929418	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+Na"	22.989218
"1605775"	437.302618	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Na"	22.989218
"320912"	426.311647	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+H+Na"	23.996494
"709328"	633.468347	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+H+Na"	23.996494
"1466066"	219.154947	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H+Na"	23.996494
"1053724"	146.439056666667	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2H+Na"	25.00377
"1257385"	447.346886	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+CH3OH+H"	33.033486
"379570"	867.589958	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+K"	38.963158
"740566"	1281.903358	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+K"	38.963158
"1545899"	453.276558	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+K"	38.963158
"309273"	434.298617	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+H+K"	39.970434
"704975"	641.455317	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+H+K"	39.970434
"1453692"	227.141917	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H+K"	39.970434
"236466"	870.660626	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+ACN+H"	42.033826
"1209991"	456.347226	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+ACN+H"	42.033826
"1194516"	228.677251	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+ACN+2H"	43.041102
"189576"	873.59796	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+2Na-H"	44.97116
"630230"	1287.91136	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+2Na-H"	44.97116
"1135918"	459.28456	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2Na-H"	44.97116
"174956"	437.302618	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+2Na"	45.978436
"614396"	644.459318	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+2Na"	45.978436
"1116562"	230.145918	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2Na"	45.978436
"1406902"	153.766370666667	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H+2Na"	46.985712
"1435736"	461.326146	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H+HCOOH"	47.012746
"226526"	442.33564	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+3H2O+2H"	56.04448
"1518968"	475.37819	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+IsoProp+H"	61.06479
"419746"	445.289588	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+Na+K"	61.952376
"776365"	652.446288	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+Na+K"	61.952376
"1671607"	238.132888	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Na+K"	61.952376
"253387"	892.642568	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+ACN+Na"	64.015768
"1226460"	478.329168	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+ACN+Na"	64.015768
"1717531"	478.352693	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+NH4+HCOOH"	64.039293
"1179611"	161.093684666667	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+3Na"	68.967654
"1652781"	483.308088	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Na+HCOOH"	68.994688
"158186"	905.54584	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+2K-H"	76.91904
"602487"	1319.85924	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+2K-H"	76.91904
"1086270"	491.23244	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2K-H"	76.91904
"143087"	453.276558	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"2M+2K"	77.926316
"583373"	660.433258	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"3M+2K"	77.926316
"1071170"	246.119858	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2K"	77.926316
"1101461"	493.246992	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2K+H"	78.933592
"1344045"	493.334607	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+DMSO+H"	79.021207
"1006740"	497.373776	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2ACN+H"	83.060376
"1526690"	498.367408	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+IsoProp+Na+H"	84.054008
"994960"	249.190526	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+2ACN+2H"	84.067652
"1590558"	499.282028	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+K+HCOOH"	84.968628
"1414275"	529.313538	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+H+CF3COOH"	115.000138
"1161824"	269.703801	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+3ACN+2H"	125.094202
"1704813"	546.340085	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+NH4+CF3COOH"	132.026685
"1641559"	551.29548	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+Na+CF3COOH"	136.98208
"1582677"	567.26942	"C16509"	"14alpha-Hydroxy-5beta-cholest-7-ene-36-dione;Diketol"	"C27H42O3"	"414.3134"	"M+K+CF3COOH"	152.95602
"806482"	183.0201	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M"	0
"978920"	164.00171	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-H2O-H"	-19.01839
"66067"	121.006124	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M-3H"	-3.021828
"510003"	182.012824	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M-3H"	-3.021828
"881606"	59.999424	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-3H"	-3.021828
"910"	182.012824	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M-2H"	-2.014552
"441931"	273.522874	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M-2H"	-2.014552
"818757"	90.502774	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-2H"	-2.014552
"82640"	365.032924	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M-H"	-1.007276
"522197"	548.053024	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M-H"	-1.007276
"899999"	182.012824	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-H"	-1.007276
"48546"	382.059471	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M-2H+NH4"	16.019271
"487743"	565.079571	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M-2H+NH4"	16.019271
"867375"	199.039371	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-2H+NH4"	16.019271
"37464"	387.014866	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M-2H+Na"	20.974666
"472039"	570.034966	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M-2H+Na"	20.974666
"858111"	203.994766	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-2H+Na"	20.974666
"1629831"	203.994766	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Na-2H"	20.974666
"95424"	200.001163	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M-H+Cl"	33.962126
"534259"	291.511213	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M-H+Cl"	33.962126
"927526"	108.491113	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-H+Cl"	33.962126
"267538"	401.009602	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+Cl"	34.969402
"660564"	584.029702	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+Cl"	34.969402
"1275159"	217.989502	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Cl"	34.969402
"16982"	402.988806	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M-2H+K"	36.948606
"457515"	586.008906	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M-2H+K"	36.948606
"833737"	219.968706	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-2H+K"	36.948606
"1558197"	219.968706	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+K-2H"	36.948606
"942972"	228.018294	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-H+HCOOH"	44.998194
"362475"	411.038401	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+HCOOH-H"	44.998201
"346727"	425.054051	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+Hac-H"	59.013851
"1495930"	242.033951	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Hac-H"	59.013851
"962012"	250.000251	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-H+NaCOOH"	66.980151
"119307"	217.989502	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+2Cl"	69.938804
"551574"	309.499552	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+2Cl"	69.938804
"1021502"	126.479452	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2Cl"	69.938804
"1241767"	261.938985	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Br"	78.918885
"1304947"	263.994972	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Cl+HCOOH"	80.974872
"1322443"	285.976929	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Cl+NaCOOH"	102.956829
"913867"	296.005686	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M-H+CF3COOH"	112.985586
"1289849"	331.982364	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Cl+CF3COOH"	148.962264
"1368740"	148.007424	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H-2H2O"	-35.012676
"1384169"	166.0174	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H-H2O"	-17.0027
"284339"	367.047476	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+H"	1.007276
"676525"	550.067576	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+H"	1.007276
"1352510"	184.027376	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H"	1.007276
"128314"	184.027376	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+2H"	2.014552
"568241"	275.537426	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+2H"	2.014552
"1042513"	92.517326	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2H"	2.014552
"204372"	123.020676	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+3H"	3.021828
"645841"	184.027376	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+3H"	3.021828
"1170284"	62.013976	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+3H"	3.021828
"428087"	384.074023	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+NH4"	18.033823
"794551"	567.094123	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+NH4"	18.033823
"1688693"	201.053923	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+NH4"	18.033823
"336974"	192.5406495	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+H+NH4"	19.041099
"728301"	284.0506995	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+H+NH4"	19.041099
"1485400"	101.0305995	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H+NH4"	19.041099
"397882"	389.029418	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+Na"	22.989218
"757427"	572.049518	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+Na"	22.989218
"1604428"	206.009318	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Na"	22.989218
"321029"	195.018347	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+H+Na"	23.996494
"712357"	286.528397	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+H+Na"	23.996494
"1462412"	103.508297	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H+Na"	23.996494
"1055782"	69.34129	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2H+Na"	25.00377
"1262199"	216.053586	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+CH3OH+H"	33.033486
"389160"	405.003358	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+K"	38.963158
"748333"	588.023458	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+K"	38.963158
"1547105"	221.983258	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+K"	38.963158
"301363"	203.005317	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+H+K"	39.970434
"695973"	294.515367	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+H+K"	39.970434
"1450527"	111.495267	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H+K"	39.970434
"239856"	408.074026	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+ACN+H"	42.033826
"1212566"	225.053926	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+ACN+H"	42.033826
"1198271"	113.030601	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+ACN+2H"	43.041102
"190779"	411.01136	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+2Na-H"	44.97116
"636895"	594.03146	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+2Na-H"	44.97116
"1136029"	227.99126	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2Na-H"	44.97116
"176039"	206.009318	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+2Na"	45.978436
"615599"	297.519368	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+2Na"	45.978436
"1129448"	114.499268	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2Na"	45.978436
"1408106"	76.668604	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H+2Na"	46.985712
"1438035"	230.032846	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H+HCOOH"	47.012746
"229923"	211.04234	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+3H2O+2H"	56.04448
"1516893"	244.08489	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+IsoProp+H"	61.06479
"420951"	213.996288	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+Na+K"	61.952376
"778669"	305.506338	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+Na+K"	61.952376
"1668438"	122.486238	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Na+K"	61.952376
"254957"	430.055968	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+ACN+Na"	64.015768
"1230947"	247.035868	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+ACN+Na"	64.015768
"1723117"	247.059393	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+NH4+HCOOH"	64.039293
"1184097"	83.995918	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+3Na"	68.967654
"1658364"	252.014788	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Na+HCOOH"	68.994688
"170693"	442.95924	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+2K-H"	76.91904
"604786"	625.97934	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+2K-H"	76.91904
"1090392"	259.93914	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2K-H"	76.91904
"143924"	221.983258	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"2M+2K"	77.926316
"591143"	313.493308	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"3M+2K"	77.926316
"1069821"	130.473208	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2K"	77.926316
"1101574"	261.953692	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2K+H"	78.933592
"1339783"	262.041307	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+DMSO+H"	79.021207
"1007219"	266.080476	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2ACN+H"	83.060376
"1525705"	267.074108	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+IsoProp+Na+H"	84.054008
"990700"	133.543876	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+2ACN+2H"	84.067652
"1587511"	267.988728	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+K+HCOOH"	84.968628
"1428000"	298.020238	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+H+CF3COOH"	115.000138
"1158655"	154.057151	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+3ACN+2H"	125.094202
"1704923"	315.046785	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+NH4+CF3COOH"	132.026685
"1642762"	320.00218	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+Na+CF3COOH"	136.98208
"1582788"	335.97612	"C16511"	"L-Homocysteic acid;(2S)-2-Amino-4-sulfobutanoic acid"	"C4H9NO5S"	"183.0201"	"M+K+CF3COOH"	152.95602
"803312"	299.2824	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M"	0
"976844"	280.26401	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-H2O-H"	-19.01839
"67270"	198.514324	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M-3H"	-3.021828
"506829"	298.275124	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M-3H"	-3.021828
"881715"	98.753524	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-3H"	-3.021828
"1020"	298.275124	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M-2H"	-2.014552
"444956"	447.916324	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M-2H"	-2.014552
"819839"	148.633924	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-2H"	-2.014552
"84936"	597.557524	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M-H"	-1.007276
"520849"	896.839924	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M-H"	-1.007276
"899743"	298.275124	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-H"	-1.007276
"49144"	614.584071	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M-2H+NH4"	16.019271
"488945"	913.866471	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M-2H+NH4"	16.019271
"867485"	315.301671	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-2H+NH4"	16.019271
"37574"	619.539466	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M-2H+Na"	20.974666
"472311"	918.821866	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M-2H+Na"	20.974666
"854937"	320.257066	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-2H+Na"	20.974666
"1618873"	320.257066	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Na-2H"	20.974666
"95534"	316.263463	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M-H+Cl"	33.962126
"534681"	465.904663	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M-H+Cl"	33.962126
"927632"	166.622263	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-H+Cl"	33.962126
"267768"	633.534202	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+Cl"	34.969402
"661402"	932.816602	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+Cl"	34.969402
"1274661"	334.251802	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Cl"	34.969402
"17335"	635.513406	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M-2H+K"	36.948606
"458475"	934.795806	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M-2H+K"	36.948606
"835548"	336.231006	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-2H+K"	36.948606
"1557943"	336.231006	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+K-2H"	36.948606
"944127"	344.280594	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-H+HCOOH"	44.998194
"362948"	643.563001	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+HCOOH-H"	44.998201
"347199"	657.578651	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+Hac-H"	59.013851
"1494701"	358.296251	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Hac-H"	59.013851
"961758"	366.262551	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-H+NaCOOH"	66.980151
"115041"	334.251802	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+2Cl"	69.938804
"551077"	483.893002	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+2Cl"	69.938804
"1022426"	184.610602	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2Cl"	69.938804
"1243340"	378.201285	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Br"	78.918885
"1304445"	380.257272	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Cl+HCOOH"	80.974872
"1322190"	402.239229	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Cl+NaCOOH"	102.956829
"913977"	412.267986	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M-H+CF3COOH"	112.985586
"1290322"	448.244664	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Cl+CF3COOH"	148.962264
"1369579"	264.269724	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H-2H2O"	-35.012676
"1384888"	282.2797	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H-H2O"	-17.0027
"284209"	599.572076	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+H"	1.007276
"676635"	898.854476	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+H"	1.007276
"1355536"	300.289676	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H"	1.007276
"126965"	300.289676	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+2H"	2.014552
"567257"	449.930876	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+2H"	2.014552
"1043716"	150.648476	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2H"	2.014552
"207242"	200.528876	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+3H"	3.021828
"654456"	300.289676	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+3H"	3.021828
"1170394"	100.768076	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+3H"	3.021828
"429293"	616.598623	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+NH4"	18.033823
"794661"	915.881023	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+NH4"	18.033823
"1690991"	317.316223	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+NH4"	18.033823
"339271"	308.8029495	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+H+NH4"	19.041099
"730598"	458.4441495	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+H+NH4"	19.041099
"1484417"	159.1617495	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H+NH4"	19.041099
"395442"	621.554018	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+Na"	22.989218
"758632"	920.836418	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+Na"	22.989218
"1604905"	322.271618	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Na"	22.989218
"320048"	311.280647	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+H+Na"	23.996494
"713560"	460.921847	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+H+Na"	23.996494
"1467385"	161.639447	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H+Na"	23.996494
"1060631"	108.09539	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2H+Na"	25.00377
"1261216"	332.315886	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+CH3OH+H"	33.033486
"386354"	637.527958	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+K"	38.963158
"748443"	936.810358	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+K"	38.963158
"1547215"	338.245558	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+K"	38.963158
"305480"	319.267617	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+H+K"	39.970434
"695719"	468.908817	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+H+K"	39.970434
"1459383"	169.626417	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H+K"	39.970434
"242518"	640.598626	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+ACN+H"	42.033826
"1213041"	341.316226	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+ACN+H"	42.033826
"1199109"	171.161751	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+ACN+2H"	43.041102
"194168"	643.53596	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+2Na-H"	44.97116
"634819"	942.81836	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+2Na-H"	44.97116
"1137232"	344.25356	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2Na-H"	44.97116
"177242"	322.271618	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+2Na"	45.978436
"615709"	471.912818	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+2Na"	45.978436
"1124692"	172.630418	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2Na"	45.978436
"1406030"	115.422704	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H+2Na"	46.985712
"1437052"	346.295146	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H+HCOOH"	47.012746
"231492"	327.30464	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+3H2O+2H"	56.04448
"1521378"	360.34719	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+IsoProp+H"	61.06479
"419969"	330.258588	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+Na+K"	61.952376
"778779"	479.899788	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+Na+K"	61.952376
"1669642"	180.617388	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Na+K"	61.952376
"258347"	662.580568	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+ACN+Na"	64.015768
"1226683"	363.298168	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+ACN+Na"	64.015768
"1724320"	363.321693	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+NH4+HCOOH"	64.039293
"1184207"	122.750018	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+3Na"	68.967654
"1658474"	368.277088	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Na+HCOOH"	68.994688
"169710"	675.48384	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+2K-H"	76.91904
"607083"	974.76624	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+2K-H"	76.91904
"1090502"	376.20144	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2K-H"	76.91904
"142943"	338.245558	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"2M+2K"	77.926316
"591253"	487.886758	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"3M+2K"	77.926316
"1069932"	188.604358	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2K"	77.926316
"1101684"	378.215992	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2K+H"	78.933592
"1339893"	378.303607	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+DMSO+H"	79.021207
"1007571"	382.342776	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2ACN+H"	83.060376
"1525817"	383.336408	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+IsoProp+Na+H"	84.054008
"990444"	191.675026	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+2ACN+2H"	84.067652
"1587047"	384.251028	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+K+HCOOH"	84.968628
"1428110"	414.282538	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+H+CF3COOH"	115.000138
"1159858"	212.188301	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+3ACN+2H"	125.094202
"1705033"	431.309085	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+NH4+CF3COOH"	132.026685
"1642872"	436.26448	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+Na+CF3COOH"	136.98208
"1582898"	452.23842	"C16512"	"Palmitoylethanolamide;Palmidrol"	"C18H37NO2"	"299.2824"	"M+K+CF3COOH"	152.95602
"803422"	330.2559	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M"	0
"975860"	311.23751	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-H2O-H"	-19.01839
"68474"	219.163324	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M-3H"	-3.021828
"509126"	329.248624	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M-3H"	-3.021828
"882554"	109.078024	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-3H"	-3.021828
"5505"	329.248624	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M-2H"	-2.014552
"442877"	494.376574	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M-2H"	-2.014552
"818490"	164.120674	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-2H"	-2.014552
"80671"	659.504524	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M-H"	-1.007276
"522781"	989.760424	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M-H"	-1.007276
"900218"	329.248624	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-H"	-1.007276
"53508"	676.531071	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M-2H+NH4"	16.019271
"491973"	1006.786971	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M-2H+NH4"	16.019271
"867595"	346.275171	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-2H+NH4"	16.019271
"36591"	681.486466	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M-2H+Na"	20.974666
"473232"	1011.742366	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M-2H+Na"	20.974666
"855047"	351.230566	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-2H+Na"	20.974666
"1619229"	351.230566	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Na-2H"	20.974666
"96733"	347.236963	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M-H+Cl"	33.962126
"535444"	512.364913	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M-H+Cl"	33.962126
"928352"	182.109013	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-H+Cl"	33.962126
"268364"	695.481202	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+Cl"	34.969402
"660903"	1025.737102	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+Cl"	34.969402
"1274527"	365.225302	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Cl"	34.969402
"17565"	697.460406	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M-2H+K"	36.948606
"457612"	1027.716306	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M-2H+K"	36.948606
"835658"	367.204506	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-2H+K"	36.948606
"1560238"	367.204506	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+K-2H"	36.948606
"945573"	375.254094	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-H+HCOOH"	44.998194
"364517"	705.510001	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+HCOOH-H"	44.998201
"348041"	719.525651	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+Hac-H"	59.013851
"1496150"	389.269751	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Hac-H"	59.013851
"961504"	397.236051	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-H+NaCOOH"	66.980151
"113692"	365.225302	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+2Cl"	69.938804
"554348"	530.353252	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+2Cl"	69.938804
"1024238"	200.097352	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2Cl"	69.938804
"1244543"	409.174785	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Br"	78.918885
"1304802"	411.230772	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Cl+HCOOH"	80.974872
"1323028"	433.212729	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Cl+NaCOOH"	102.956829
"913725"	443.241486	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M-H+CF3COOH"	112.985586
"1290798"	479.218164	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Cl+CF3COOH"	148.962264
"1373333"	295.243224	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H-2H2O"	-35.012676
"1386455"	313.2532	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H-H2O"	-17.0027
"289421"	661.519076	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+H"	1.007276
"677473"	991.774976	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+H"	1.007276
"1355646"	331.263176	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H"	1.007276
"129627"	331.263176	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+2H"	2.014552
"568460"	496.391126	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+2H"	2.014552
"1043826"	166.135226	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2H"	2.014552
"207352"	221.177876	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+3H"	3.021828
"654566"	331.263176	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+3H"	3.021828
"1171597"	111.092576	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+3H"	3.021828
"431589"	678.545623	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+NH4"	18.033823
"793677"	1008.801523	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+NH4"	18.033823
"1691101"	348.289723	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+NH4"	18.033823
"338287"	339.7764495	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+H+NH4"	19.041099
"730706"	504.9043995	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+H+NH4"	19.041099
"1484528"	174.6484995	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H+NH4"	19.041099
"394823"	683.501018	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+Na"	22.989218
"759835"	1013.756918	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+Na"	22.989218
"1604651"	353.245118	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Na"	22.989218
"320158"	342.254147	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+H+Na"	23.996494
"711484"	507.382097	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+H+Na"	23.996494
"1467494"	177.126197	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H+Na"	23.996494
"1058551"	118.41989	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2H+Na"	25.00377
"1263512"	363.289386	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+CH3OH+H"	33.033486
"386464"	699.474958	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+K"	38.963158
"748553"	1029.730858	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+K"	38.963158
"1545138"	369.219058	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+K"	38.963158
"300853"	350.241117	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+H+K"	39.970434
"694735"	515.369067	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+H+K"	39.970434
"1457306"	185.113167	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H+K"	39.970434
"242627"	702.545626	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+ACN+H"	42.033826
"1219711"	372.289726	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+ACN+H"	42.033826
"1200312"	186.648501	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+ACN+2H"	43.041102
"195370"	705.48296	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+2Na-H"	44.97116
"634929"	1035.73886	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+2Na-H"	44.97116
"1136249"	375.22706	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2Na-H"	44.97116
"174434"	353.245118	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+2Na"	45.978436
"616912"	518.373068	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+2Na"	45.978436
"1118354"	188.117168	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2Na"	45.978436
"1409420"	125.747204	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H+2Na"	46.985712
"1437162"	377.268646	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H+HCOOH"	47.012746
"232327"	358.27814	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+3H2O+2H"	56.04448
"1517112"	391.32069	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+IsoProp+H"	61.06479
"417891"	361.232088	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+Na+K"	61.952376
"778889"	526.360038	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+Na+K"	61.952376
"1671939"	196.104138	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Na+K"	61.952376
"255177"	724.527568	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+ACN+Na"	64.015768
"1225856"	394.271668	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+ACN+Na"	64.015768
"1724430"	394.295193	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+NH4+HCOOH"	64.039293
"1184317"	133.074518	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+3Na"	68.967654
"1658584"	399.250588	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Na+HCOOH"	68.994688
"168727"	737.43084	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+2K-H"	76.91904
"610473"	1067.68674	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+2K-H"	76.91904
"1093892"	407.17494	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2K-H"	76.91904
"145239"	369.219058	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"2M+2K"	77.926316
"591363"	534.347008	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"3M+2K"	77.926316
"1072229"	204.091108	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2K"	77.926316
"1106898"	409.189492	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2K+H"	78.933592
"1337816"	409.277107	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+DMSO+H"	79.021207
"1007560"	413.316276	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2ACN+H"	83.060376
"1526658"	414.309908	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+IsoProp+Na+H"	84.054008
"992011"	207.161776	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+2ACN+2H"	84.067652
"1588095"	415.224528	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+K+HCOOH"	84.968628
"1428584"	445.256038	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+H+CF3COOH"	115.000138
"1157782"	227.675051	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+3ACN+2H"	125.094202
"1705143"	462.282585	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+NH4+CF3COOH"	132.026685
"1642982"	467.23798	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+Na+CF3COOH"	136.98208
"1583008"	483.21192	"C16513"	"(7Z10Z13Z16Z19Z)-Docosa-710131619-pentaenoic acid;Docosapentaenoic acid"	"C22H34O2"	"330.2559"	"M+K+CF3COOH"	152.95602
"806814"	206.0514	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M"	0
"977426"	187.03301	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-H2O-H"	-19.01839
"67490"	136.360324	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M-3H"	-3.021828
"505961"	205.044124	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M-3H"	-3.021828
"884853"	67.676524	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-3H"	-3.021828
"5619"	205.044124	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M-2H"	-2.014552
"446269"	308.069824	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M-2H"	-2.014552
"817549"	102.018424	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-2H"	-2.014552
"79357"	411.095524	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M-H"	-1.007276
"522535"	617.146924	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M-H"	-1.007276
"898151"	205.044124	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-H"	-1.007276
"56905"	428.122071	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M-2H+NH4"	16.019271
"489903"	634.173471	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M-2H+NH4"	16.019271
"875363"	222.070671	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-2H+NH4"	16.019271
"46183"	433.077466	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M-2H+Na"	20.974666
"478450"	639.128866	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M-2H+Na"	20.974666
"851877"	227.026066	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-2H+Na"	20.974666
"1623603"	227.026066	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Na-2H"	20.974666
"100130"	223.032463	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M-H+Cl"	33.962126
"536044"	326.058163	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M-H+Cl"	33.962126
"929923"	120.006763	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-H+Cl"	33.962126
"271396"	447.072202	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+Cl"	34.969402
"661263"	653.123602	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+Cl"	34.969402
"1274148"	241.020802	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Cl"	34.969402
"19139"	449.051406	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M-2H+K"	36.948606
"460887"	655.102806	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M-2H+K"	36.948606
"836873"	243.000006	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-2H+K"	36.948606
"1559997"	243.000006	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+K-2H"	36.948606
"944961"	251.049594	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-H+HCOOH"	44.998194
"373756"	457.101001	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+HCOOH-H"	44.998201
"357638"	471.116651	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+Hac-H"	59.013851
"1499909"	265.065251	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Hac-H"	59.013851
"970736"	273.031551	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-H+NaCOOH"	66.980151
"114173"	241.020802	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+2Cl"	69.938804
"553365"	344.046502	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+2Cl"	69.938804
"1025813"	137.995102	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2Cl"	69.938804
"1246484"	284.970285	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Br"	78.918885
"1311118"	287.026272	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Cl+HCOOH"	80.974872
"1327524"	309.008229	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Cl+NaCOOH"	102.956829
"914208"	319.036986	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M-H+CF3COOH"	112.985586
"1289090"	355.013664	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Cl+CF3COOH"	148.962264
"1368341"	171.038724	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H-2H2O"	-35.012676
"1383651"	189.0487	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H-H2O"	-17.0027
"285893"	413.110076	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+H"	1.007276
"677947"	619.161476	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+H"	1.007276
"1357219"	207.058676	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H"	1.007276
"133394"	207.058676	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+2H"	2.014552
"574047"	310.084376	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+2H"	2.014552
"1042846"	104.032976	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2H"	2.014552
"209651"	138.374876	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+3H"	3.021828
"647024"	207.058676	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+3H"	3.021828
"1165148"	69.691076	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+3H"	3.021828
"427325"	430.136623	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+NH4"	18.033823
"788320"	636.188023	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+NH4"	18.033823
"1684649"	224.085223	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+NH4"	18.033823
"336207"	215.5719495	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+H+NH4"	19.041099
"726448"	318.5976495	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+H+NH4"	19.041099
"1478568"	112.5462495	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H+NH4"	19.041099
"394575"	435.092018	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+Na"	22.989218
"756664"	641.143418	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+Na"	22.989218
"1609142"	229.040618	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Na"	22.989218
"321367"	218.049647	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+H+Na"	23.996494
"714879"	321.075347	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+H+Na"	23.996494
"1469793"	115.023947	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H+Na"	23.996494
"1064133"	77.01839	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2H+Na"	25.00377
"1264716"	239.084886	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+CH3OH+H"	33.033486
"384388"	451.065958	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+K"	38.963158
"747570"	657.117358	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+K"	38.963158
"1544152"	245.014558	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+K"	38.963158
"310084"	226.036617	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+H+K"	39.970434
"699222"	329.062317	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+H+K"	39.970434
"1456321"	123.010917	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H+K"	39.970434
"244921"	454.136626	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+ACN+H"	42.033826
"1220911"	248.085226	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+ACN+H"	42.033826
"1197141"	124.546251	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+ACN+2H"	43.041102
"195478"	457.07396	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+2Na-H"	44.97116
"636131"	663.12536	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+2Na-H"	44.97116
"1133440"	251.02256	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2Na-H"	44.97116
"184027"	229.040618	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+2Na"	45.978436
"620314"	332.066318	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+2Na"	45.978436
"1123819"	126.014918	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2Na"	45.978436
"1402240"	84.345704	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H+2Na"	46.985712
"1442742"	253.064146	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H+HCOOH"	47.012746
"230252"	234.07364	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+3H2O+2H"	56.04448
"1519050"	267.11619	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+IsoProp+H"	61.06479
"418007"	237.027588	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+Na+K"	61.952376
"776813"	340.053288	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+Na+K"	61.952376
"1681177"	134.001888	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Na+K"	61.952376
"265865"	476.118568	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+ACN+Na"	64.015768
"1240770"	270.067168	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+ACN+Na"	64.015768
"1726732"	270.090693	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+NH4+HCOOH"	64.039293
"1193675"	91.673018	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+3Na"	68.967654
"1664536"	275.046088	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Na+HCOOH"	68.994688
"170666"	489.02184	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+2K-H"	76.91904
"610225"	695.07324	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+2K-H"	76.91904
"1096196"	282.97044	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2K-H"	76.91904
"153008"	245.014558	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"2M+2K"	77.926316
"593661"	348.040258	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"3M+2K"	77.926316
"1072707"	141.988858	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2K"	77.926316
"1102027"	284.984992	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2K+H"	78.933592
"1337074"	285.072607	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+DMSO+H"	79.021207
"1011927"	289.111776	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2ACN+H"	83.060376
"1530052"	290.105408	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+IsoProp+Na+H"	84.054008
"1005513"	145.059526	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+2ACN+2H"	84.067652
"1602647"	291.020028	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+K+HCOOH"	84.968628
"1429722"	321.051538	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+H+CF3COOH"	115.000138
"1162599"	165.572801	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+3ACN+2H"	125.094202
"1711463"	338.078085	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+NH4+CF3COOH"	132.026685
"1649745"	343.03348	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+Na+CF3COOH"	136.98208
"1583120"	359.00742	"C16516"	"Indolylmethylthiohydroximate"	"C10H10N2OS"	"206.0514"	"M+K+CF3COOH"	152.95602
"805830"	368.1042	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M"	0
"976078"	349.08581	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-H2O-H"	-19.01839
"65778"	244.395524	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M-3H"	-3.021828
"507527"	367.096924	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M-3H"	-3.021828
"883870"	121.694124	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-3H"	-3.021828
"5728"	367.096924	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M-2H"	-2.014552
"445286"	551.149024	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M-2H"	-2.014552
"817861"	183.044824	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-2H"	-2.014552
"79791"	735.201124	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M-H"	-1.007276
"523737"	1103.305324	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M-H"	-1.007276
"896802"	367.096924	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-H"	-1.007276
"48627"	752.227671	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M-2H+NH4"	16.019271
"490010"	1120.331871	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M-2H+NH4"	16.019271
"872191"	384.123471	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-2H+NH4"	16.019271
"46617"	757.183066	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M-2H+Na"	20.974666
"475280"	1125.287266	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M-2H+Na"	20.974666
"849800"	389.078866	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-2H+Na"	20.974666
"1618639"	389.078866	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Na-2H"	20.974666
"95987"	385.085263	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M-H+Cl"	33.962126
"536518"	569.137363	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M-H+Cl"	33.962126
"929303"	201.033163	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-H+Cl"	33.962126
"269683"	771.177802	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+Cl"	34.969402
"660319"	1139.282002	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+Cl"	34.969402
"1273405"	403.073602	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Cl"	34.969402
"15922"	773.157006	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M-2H+K"	36.948606
"456499"	1141.261206	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M-2H+K"	36.948606
"832835"	405.052806	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-2H+K"	36.948606
"1559013"	405.052806	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+K-2H"	36.948606
"943976"	413.102394	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-H+HCOOH"	44.998194
"376661"	781.206601	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+HCOOH-H"	44.998201
"358842"	795.222251	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+Hac-H"	59.013851
"1502206"	427.118051	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Hac-H"	59.013851
"971940"	435.084351	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-H+NaCOOH"	66.980151
"115376"	403.073602	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+2Cl"	69.938804
"553111"	587.125702	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+2Cl"	69.938804
"1025923"	219.021502	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2Cl"	69.938804
"1248781"	447.023085	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Br"	78.918885
"1311228"	449.079072	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Cl+HCOOH"	80.974872
"1328727"	471.061029	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Cl+NaCOOH"	102.956829
"915411"	481.089786	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M-H+CF3COOH"	112.985586
"1289927"	517.066464	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Cl+CF3COOH"	148.962264
"1368453"	333.091524	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H-2H2O"	-35.012676
"1385222"	351.1015	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H-H2O"	-17.0027
"284547"	737.215676	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+H"	1.007276
"678422"	1105.319876	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+H"	1.007276
"1358422"	369.111476	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H"	1.007276
"133504"	369.111476	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+2H"	2.014552
"574157"	553.163576	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+2H"	2.014552
"1042956"	185.059376	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2H"	2.014552
"209761"	246.410076	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+3H"	3.021828
"648227"	369.111476	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+3H"	3.021828
"1166351"	123.708676	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+3H"	3.021828
"427434"	754.242223	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+NH4"	18.033823
"788430"	1122.346423	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+NH4"	18.033823
"1682573"	386.138023	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+NH4"	18.033823
"334132"	377.6247495	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+H+NH4"	19.041099
"725464"	561.6768495	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+H+NH4"	19.041099
"1479286"	193.5726495	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H+NH4"	19.041099
"393956"	759.197618	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+Na"	22.989218
"757867"	1127.301818	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+Na"	22.989218
"1612531"	391.093418	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Na"	22.989218
"325849"	380.102447	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+H+Na"	23.996494
"716082"	564.154547	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+H+Na"	23.996494
"1470996"	196.050347	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H+Na"	23.996494
"1064240"	131.03599	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2H+Na"	25.00377
"1264825"	401.137686	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+CH3OH+H"	33.033486
"385591"	775.171558	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+K"	38.963158
"746587"	1143.275758	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+K"	38.963158
"1544262"	407.067358	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+K"	38.963158
"310193"	388.089417	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+H+K"	39.970434
"697144"	572.141517	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+H+K"	39.970434
"1456431"	204.037317	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H+K"	39.970434
"242845"	778.242226	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+ACN+H"	42.033826
"1217741"	410.138026	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+ACN+H"	42.033826
"1197250"	205.572651	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+ACN+2H"	43.041102
"192308"	781.17956	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+2Na-H"	44.97116
"634054"	1149.28376	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+2Na-H"	44.97116
"1134643"	413.07536	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2Na-H"	44.97116
"185595"	391.093418	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+2Na"	45.978436
"624797"	575.145518	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+2Na"	45.978436
"1126115"	207.041318	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2Na"	45.978436
"1411822"	138.363304	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H+2Na"	46.985712
"1442124"	415.116946	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H+HCOOH"	47.012746
"228176"	396.12644	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+3H2O+2H"	56.04448
"1519524"	429.16899	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+IsoProp+H"	61.06479
"418117"	399.080388	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+Na+K"	61.952376
"778747"	583.132488	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+Na+K"	61.952376
"1681188"	215.028288	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Na+K"	61.952376
"266954"	800.224168	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+ACN+Na"	64.015768
"1241036"	432.119968	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+ACN+Na"	64.015768
"1727858"	432.143493	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+NH4+HCOOH"	64.039293
"1192565"	145.690618	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+3Na"	68.967654
"1665009"	437.098888	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Na+HCOOH"	68.994688
"172764"	813.12744	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+2K-H"	76.91904
"611065"	1181.23164	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+2K-H"	76.91904
"1095940"	445.02324	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2K-H"	76.91904
"153118"	407.067358	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"2M+2K"	77.926316
"590491"	591.119458	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"3M+2K"	77.926316
"1071723"	223.015258	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2K"	77.926316
"1103837"	447.037792	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2K+H"	78.933592
"1337303"	447.125407	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+DMSO+H"	79.021207
"1013130"	451.164576	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2ACN+H"	83.060376
"1529068"	452.158208	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+IsoProp+Na+H"	84.054008
"1005378"	226.085926	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+2ACN+2H"	84.067652
"1602515"	453.072828	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+K+HCOOH"	84.968628
"1429712"	483.104338	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+H+CF3COOH"	115.000138
"1162382"	246.599201	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+3ACN+2H"	125.094202
"1712700"	500.130885	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+NH4+CF3COOH"	132.026685
"1649773"	505.08628	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+Na+CF3COOH"	136.98208
"1583230"	521.06022	"C16517"	"Indolylmethyl-desulfoglucosinolate"	"C16H20N2O6S"	"368.1042"	"M+K+CF3COOH"	152.95602
"804847"	293.0834	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M"	0
"975460"	274.06501	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-H2O-H"	-19.01839
"66617"	194.381657333333	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M-3H"	-3.021828
"503994"	292.076124	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M-3H"	-3.021828
"882887"	96.6871906666667	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-3H"	-3.021828
"1825"	292.076124	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M-2H"	-2.014552
"445396"	438.617824	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M-2H"	-2.014552
"817729"	145.534424	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-2H"	-2.014552
"80267"	585.159524	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M-H"	-1.007276
"519472"	878.242924	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M-H"	-1.007276
"895828"	292.076124	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-H"	-1.007276
"48006"	602.186071	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M-2H+NH4"	16.019271
"487197"	895.269471	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M-2H+NH4"	16.019271
"869021"	309.102671	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-2H+NH4"	16.019271
"43487"	607.141466	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M-2H+Na"	20.974666
"475390"	900.224866	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M-2H+Na"	20.974666
"849911"	314.058066	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-2H+Na"	20.974666
"1618628"	314.058066	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Na-2H"	20.974666
"94922"	310.064463	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M-H+Cl"	33.962126
"535170"	456.606163	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M-H+Cl"	33.962126
"927750"	163.522763	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-H+Cl"	33.962126
"269793"	621.136202	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+Cl"	34.969402
"661848"	914.219602	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+Cl"	34.969402
"1272804"	328.052802	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Cl"	34.969402
"15947"	623.115406	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M-2H+K"	36.948606
"458190"	916.198806	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M-2H+K"	36.948606
"833239"	330.032006	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-2H+K"	36.948606
"1556203"	330.032006	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+K-2H"	36.948606
"942807"	338.081594	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-H+HCOOH"	44.998194
"371789"	631.165001	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+HCOOH-H"	44.998201
"358951"	645.180651	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+Hac-H"	59.013851
"1500129"	352.097251	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Hac-H"	59.013851
"963298"	360.063551	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-H+NaCOOH"	66.980151
"113300"	328.052802	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+2Cl"	69.938804
"552857"	474.594502	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+2Cl"	69.938804
"1028219"	181.511102	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2Cl"	69.938804
"1248891"	372.002285	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Br"	78.918885
"1309151"	374.058272	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Cl+HCOOH"	80.974872
"1328837"	396.040229	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Cl+NaCOOH"	102.956829
"914428"	406.068986	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M-H+CF3COOH"	112.985586
"1289669"	442.045664	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Cl+CF3COOH"	148.962264
"1368802"	258.070724	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H-2H2O"	-35.012676
"1384598"	276.0807	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H-H2O"	-17.0027
"283801"	587.174076	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+H"	1.007276
"678530"	880.257476	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+H"	1.007276
"1352697"	294.090676	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H"	1.007276
"134704"	294.090676	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+2H"	2.014552
"569893"	440.632376	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+2H"	2.014552
"1037717"	147.548976	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2H"	2.014552
"204525"	196.396209333333	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+3H"	3.021828
"644255"	294.090676	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+3H"	3.021828
"1165364"	98.7017426666667	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+3H"	3.021828
"424989"	604.200623	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+NH4"	18.033823
"786349"	897.284023	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+NH4"	18.033823
"1682193"	311.117223	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+NH4"	18.033823
"332053"	302.6039495	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+H+NH4"	19.041099
"723629"	449.1456495	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+H+NH4"	19.041099
"1479760"	156.0622495	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H+NH4"	19.041099
"393941"	609.156018	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+Na"	22.989218
"757248"	902.239418	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+Na"	22.989218
"1609362"	316.072618	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Na"	22.989218
"323773"	305.081647	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+H+Na"	23.996494
"715099"	451.623347	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+H+Na"	23.996494
"1468920"	158.539947	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H+Na"	23.996494
"1061071"	106.029056666667	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2H+Na"	25.00377
"1263842"	326.116886	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+CH3OH+H"	33.033486
"384608"	625.129958	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+K"	38.963158
"745603"	918.213358	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+K"	38.963158
"1544372"	332.046558	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+K"	38.963158
"304836"	313.068617	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+H+K"	39.970434
"695068"	459.610317	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+H+K"	39.970434
"1451073"	166.526917	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H+K"	39.970434
"239676"	628.200626	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+ACN+H"	42.033826
"1217851"	335.117226	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+ACN+H"	42.033826
"1196632"	168.062251	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+ACN+2H"	43.041102
"194604"	631.13796	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+2Na-H"	44.97116
"637443"	924.22136	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+2Na-H"	44.97116
"1135844"	338.05456	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2Na-H"	44.97116
"180966"	316.072618	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+2Na"	45.978436
"622719"	462.614318	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+2Na"	45.978436
"1128043"	169.530918	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2Na"	45.978436
"1407559"	113.356370666667	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H+2Na"	46.985712
"1434215"	340.096146	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H+HCOOH"	47.012746
"228286"	321.10564	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+3H2O+2H"	56.04448
"1519634"	354.14819	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+IsoProp+H"	61.06479
"418956"	324.059588	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+Na+K"	61.952376
"779950"	470.601288	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+Na+K"	61.952376
"1681216"	177.517888	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Na+K"	61.952376
"265722"	650.182568	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+ACN+Na"	64.015768
"1239889"	357.099168	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+ACN+Na"	64.015768
"1726225"	357.122693	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+NH4+HCOOH"	64.039293
"1193403"	120.683684666667	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+3Na"	68.967654
"1664754"	362.078088	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Na+HCOOH"	68.994688
"172304"	663.08584	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+2K-H"	76.91904
"610082"	956.16924	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+2K-H"	76.91904
"1096411"	370.00244	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2K-H"	76.91904
"149947"	332.046558	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"2M+2K"	77.926316
"586225"	478.588258	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"3M+2K"	77.926316
"1071833"	185.504858	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2K"	77.926316
"1101761"	372.016992	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2K+H"	78.933592
"1337173"	372.104607	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+DMSO+H"	79.021207
"1012147"	376.143776	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2ACN+H"	83.060376
"1531365"	377.137408	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+IsoProp+Na+H"	84.054008
"1005613"	188.575526	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+2ACN+2H"	84.067652
"1602585"	378.052028	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+K+HCOOH"	84.968628
"1429858"	408.083538	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+H+CF3COOH"	115.000138
"1161398"	209.088801	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+3ACN+2H"	125.094202
"1712703"	425.110085	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+NH4+CF3COOH"	132.026685
"1649839"	430.06548	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+Na+CF3COOH"	136.98208
"1583340"	446.03942	"C16518"	"S-(Indolylmethylthiohydroximoyl)-L-cysteine"	"C13H15N3O3S"	"293.0834"	"M+K+CF3COOH"	152.95602
"804228"	328.0794	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M"	0
"977392"	309.06101	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-H2O-H"	-19.01839
"65633"	217.712324	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M-3H"	-3.021828
"505197"	327.072124	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M-3H"	-3.021828
"881904"	108.352524	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-3H"	-3.021828
"720"	327.072124	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M-2H"	-2.014552
"444413"	491.111824	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M-2H"	-2.014552
"818688"	163.032424	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-2H"	-2.014552
"81107"	655.151524	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M-H"	-1.007276
"522864"	983.230924	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M-H"	-1.007276
"897137"	327.072124	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-H"	-1.007276
"49694"	672.178071	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M-2H+NH4"	16.019271
"488156"	1000.257471	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M-2H+NH4"	16.019271
"868029"	344.098671	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-2H+NH4"	16.019271
"32046"	677.133466	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M-2H+Na"	20.974666
"471888"	1005.212866	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M-2H+Na"	20.974666
"850021"	349.054066	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-2H+Na"	20.974666
"1619553"	349.054066	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Na-2H"	20.974666
"96814"	345.060463	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M-H+Cl"	33.962126
"536373"	509.100163	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M-H+Cl"	33.962126
"930616"	181.020763	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-H+Cl"	33.962126
"270266"	691.128202	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+Cl"	34.969402
"662322"	1019.207602	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+Cl"	34.969402
"1273386"	363.048802	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Cl"	34.969402
"17036"	693.107406	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M-2H+K"	36.948606
"461580"	1021.186806	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M-2H+K"	36.948606
"835010"	365.028006	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-2H+K"	36.948606
"1558864"	365.028006	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+K-2H"	36.948606
"943505"	373.077594	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-H+HCOOH"	44.998194
"368619"	701.157001	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+HCOOH-H"	44.998201
"348125"	715.172651	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+Hac-H"	59.013851
"1494770"	387.093251	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Hac-H"	59.013851
"964501"	395.059551	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-H+NaCOOH"	66.980151
"117782"	363.048802	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+2Cl"	69.938804
"551871"	527.088502	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+2Cl"	69.938804
"1028329"	199.009102	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2Cl"	69.938804
"1249000"	406.998285	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Br"	78.918885
"1308165"	409.054272	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Cl+HCOOH"	80.974872
"1330040"	431.036229	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Cl+NaCOOH"	102.956829
"916724"	441.064986	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M-H+CF3COOH"	112.985586
"1289657"	477.041664	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Cl+CF3COOH"	148.962264
"1368428"	293.066724	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H-2H2O"	-35.012676
"1385072"	311.0767	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H-H2O"	-17.0027
"284763"	657.166076	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+H"	1.007276
"677547"	985.245476	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+H"	1.007276
"1352807"	329.086676	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H"	1.007276
"135907"	329.086676	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+2H"	2.014552
"570003"	493.126376	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+2H"	2.014552
"1040256"	165.046976	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2H"	2.014552
"205969"	219.726876	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+3H"	3.021828
"644920"	329.086676	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+3H"	3.021828
"1163530"	110.367076	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+3H"	3.021828
"425831"	674.192623	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+NH4"	18.033823
"786461"	1002.272023	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+NH4"	18.033823
"1681615"	346.113223	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+NH4"	18.033823
"330703"	337.5999495	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+H+NH4"	19.041099
"723733"	501.6396495	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+H+NH4"	19.041099
"1479870"	173.5602495	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H+NH4"	19.041099
"394170"	679.148018	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+Na"	22.989218
"757722"	1007.227418	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+Na"	22.989218
"1610565"	351.068618	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Na"	22.989218
"322787"	340.077647	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+H+Na"	23.996494
"714114"	504.117347	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+H+Na"	23.996494
"1467937"	176.037947	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H+Na"	23.996494
"1062273"	117.69439	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2H+Na"	25.00377
"1265045"	361.112886	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+CH3OH+H"	33.033486
"383621"	695.121958	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+K"	38.963158
"743524"	1023.201358	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+K"	38.963158
"1545575"	367.042558	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+K"	38.963158
"307133"	348.064617	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+H+K"	39.970434
"696272"	512.104317	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+H+K"	39.970434
"1451183"	184.024917	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H+K"	39.970434
"240879"	698.192626	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+ACN+H"	42.033826
"1216869"	370.113226	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+ACN+H"	42.033826
"1196379"	185.560251	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+ACN+2H"	43.041102
"191435"	701.12996	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+2Na-H"	44.97116
"635365"	1029.20936	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+2Na-H"	44.97116
"1136316"	373.05056	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2Na-H"	44.97116
"179983"	351.068618	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+2Na"	45.978436
"621736"	515.108318	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+2Na"	45.978436
"1128519"	187.028918	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2Na"	45.978436
"1409492"	125.021704	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H+2Na"	46.985712
"1434325"	375.092146	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H+HCOOH"	47.012746
"226210"	356.10164	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+3H2O+2H"	56.04448
"1519744"	389.14419	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+IsoProp+H"	61.06479
"419430"	359.055588	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+Na+K"	61.952376
"777144"	523.095288	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+Na+K"	61.952376
"1680770"	195.015888	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Na+K"	61.952376
"265103"	720.174568	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+ACN+Na"	64.015768
"1240367"	392.095168	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+ACN+Na"	64.015768
"1725242"	392.118693	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+NH4+HCOOH"	64.039293
"1192786"	132.349018	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+3Na"	68.967654
"1665542"	397.074088	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Na+HCOOH"	68.994688
"169540"	733.07784	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+2K-H"	76.91904
"608371"	1061.15724	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+2K-H"	76.91904
"1092149"	404.99844	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2K-H"	76.91904
"148965"	367.042558	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"2M+2K"	77.926316
"589614"	531.082258	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"3M+2K"	77.926316
"1074129"	203.002858	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2K"	77.926316
"1105149"	407.012992	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2K+H"	78.933592
"1339710"	407.100607	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+DMSO+H"	79.021207
"1010071"	411.139776	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2ACN+H"	83.060376
"1527101"	412.133408	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+IsoProp+Na+H"	84.054008
"1005510"	206.073526	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+2ACN+2H"	84.067652
"1602656"	413.048028	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+K+HCOOH"	84.968628
"1429802"	443.079538	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+H+CF3COOH"	115.000138
"1162672"	226.586801	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+3ACN+2H"	125.094202
"1711793"	460.106085	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+NH4+CF3COOH"	132.026685
"1649750"	465.06148	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+Na+CF3COOH"	136.98208
"1583450"	481.03542	"C16519"	"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate;5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate"	"C14H16O9"	"328.0794"	"M+K+CF3COOH"	152.95602
"806161"	68.0626	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M"	0
"975318"	49.04421	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-H2O-H"	-19.01839
"71219"	44.3677906666667	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M-3H"	-3.021828
"506401"	67.055324	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M-3H"	-3.021828
"880919"	21.6802573333333	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-3H"	-3.021828
"3873"	67.055324	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M-2H"	-2.014552
"444523"	101.086624	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M-2H"	-2.014552
"818679"	33.024024	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-2H"	-2.014552
"88885"	135.117924	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M-H"	-1.007276
"522976"	203.180524	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M-H"	-1.007276
"898593"	67.055324	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-H"	-1.007276
"47860"	152.144471	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M-2H+NH4"	16.019271
"489488"	220.207071	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M-2H+NH4"	16.019271
"864325"	84.081871	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-2H+NH4"	16.019271
"37143"	157.099866	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M-2H+Na"	20.974666
"477798"	225.162466	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M-2H+Na"	20.974666
"852319"	89.037266	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-2H+Na"	20.974666
"1622950"	89.037266	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Na-2H"	20.974666
"99111"	85.043663	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M-H+Cl"	33.962126
"536119"	119.074963	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M-H+Cl"	33.962126
"928902"	51.012363	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-H+Cl"	33.962126
"269647"	171.094602	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+Cl"	34.969402
"664255"	239.157202	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+Cl"	34.969402
"1273131"	103.032002	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Cl"	34.969402
"18487"	173.073806	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M-2H+K"	36.948606
"460237"	241.136406	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M-2H+K"	36.948606
"835856"	105.011206	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-2H+K"	36.948606
"1560432"	105.011206	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+K-2H"	36.948606
"952702"	113.060794	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-H+HCOOH"	44.998194
"367635"	181.123401	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+HCOOH-H"	44.998201
"352611"	195.139051	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+Hac-H"	59.013851
"1505456"	127.076451	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Hac-H"	59.013851
"968988"	135.042751	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-H+NaCOOH"	66.980151
"113519"	103.032002	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+2Cl"	69.938804
"559643"	137.063302	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+2Cl"	69.938804
"1031358"	69.000702	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2Cl"	69.938804
"1245833"	146.981485	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Br"	78.918885
"1313750"	149.037472	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Cl+HCOOH"	80.974872
"1327964"	171.019429	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Cl+NaCOOH"	102.956829
"913917"	181.048186	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M-H+CF3COOH"	112.985586
"1288634"	217.024864	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Cl+CF3COOH"	148.962264
"1367326"	33.049924	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H-2H2O"	-35.012676
"1383732"	51.0599	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H-H2O"	-17.0027
"288887"	137.132476	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+H"	1.007276
"679486"	205.195076	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+H"	1.007276
"1357660"	69.069876	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H"	1.007276
"137110"	69.069876	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+2H"	2.014552
"568285"	103.101176	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+2H"	2.014552
"1039272"	35.038576	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2H"	2.014552
"207173"	46.3823426666667	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+3H"	3.021828
"648556"	69.069876	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+3H"	3.021828
"1164127"	23.6948093333333	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+3H"	3.021828
"426668"	154.159023	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+NH4"	18.033823
"788759"	222.221623	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+NH4"	18.033823
"1682173"	86.096423	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+NH4"	18.033823
"332645"	77.5831495	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+H+NH4"	19.041099
"728714"	111.6144495	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+H+NH4"	19.041099
"1483992"	43.5518495	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H+NH4"	19.041099
"400485"	159.114418	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+Na"	22.989218
"762580"	227.177018	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+Na"	22.989218
"1608489"	91.051818	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Na"	22.989218
"322899"	80.060847	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+H+Na"	23.996494
"715322"	114.092147	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+H+Na"	23.996494
"1468047"	46.029547	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H+Na"	23.996494
"1060198"	31.0221233333333	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2H+Na"	25.00377
"1266250"	101.096086	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+CH3OH+H"	33.033486
"383732"	175.088358	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+K"	38.963158
"743635"	243.150958	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+K"	38.963158
"1546788"	107.025758	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+K"	38.963158
"307242"	88.047817	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+H+K"	39.970434
"697474"	122.079117	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+H+K"	39.970434
"1449110"	54.016517	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H+K"	39.970434
"237709"	178.159026	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+ACN+H"	42.033826
"1210902"	110.096426	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+ACN+H"	42.033826
"1196488"	55.551851	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+ACN+2H"	43.041102
"193733"	181.09636	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+2Na-H"	44.97116
"634382"	249.15896	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+2Na-H"	44.97116
"1142270"	113.03376	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2Na-H"	44.97116
"183381"	91.051818	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+2Na"	45.978436
"619295"	125.083118	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+2Na"	45.978436
"1121341"	57.020518	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2Na"	45.978436
"1402321"	38.3494373333333	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H+2Na"	46.985712
"1435530"	115.075346	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H+HCOOH"	47.012746
"234348"	96.08484	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+3H2O+2H"	56.04448
"1523627"	129.12739	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+IsoProp+H"	61.06479
"417355"	99.038788	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+Na+K"	61.952376
"780537"	133.070088	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+Na+K"	61.952376
"1678697"	65.007488	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Na+K"	61.952376
"264853"	200.140968	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+ACN+Na"	64.015768
"1239019"	132.078368	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+ACN+Na"	64.015768
"1728031"	132.101893	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+NH4+HCOOH"	64.039293
"1193019"	45.6767513333333	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+3Na"	68.967654
"1663518"	137.057288	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Na+HCOOH"	68.994688
"170015"	213.04424	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+2K-H"	76.91904
"607387"	281.10684	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+2K-H"	76.91904
"1092259"	144.98164	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2K-H"	76.91904
"147981"	107.025758	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"2M+2K"	77.926316
"583531"	141.057058	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"3M+2K"	77.926316
"1070110"	72.994458	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2K"	77.926316
"1104171"	146.996192	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2K+H"	78.933592
"1341652"	147.083807	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+DMSO+H"	79.021207
"1012369"	151.122976	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2ACN+H"	83.060376
"1539833"	152.116608	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+IsoProp+Na+H"	84.054008
"1005597"	76.065126	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+2ACN+2H"	84.067652
"1602035"	153.031228	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+K+HCOOH"	84.968628
"1429395"	183.062738	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+H+CF3COOH"	115.000138
"1162230"	96.578401	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+3ACN+2H"	125.094202
"1712266"	200.089285	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+NH4+CF3COOH"	132.026685
"1649851"	205.04468	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+Na+CF3COOH"	136.98208
"1583561"	221.01862	"C16521"	"Isoprene;2-Methyl-13-butadiene"	"C5H8"	"68.0626"	"M+K+CF3COOH"	152.95602
"813926"	306.2559	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M"	0
"980898"	287.23751	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-H2O-H"	-19.01839
"70235"	203.163324	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M-3H"	-3.021828
"507608"	305.248624	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M-3H"	-3.021828
"882128"	101.078024	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-3H"	-3.021828
"1797"	305.248624	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M-2H"	-2.014552
"444633"	458.376574	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M-2H"	-2.014552
"820247"	152.120674	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-2H"	-2.014552
"88997"	611.504524	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M-H"	-1.007276
"520901"	917.760424	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M-H"	-1.007276
"898704"	305.248624	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-H"	-1.007276
"50892"	628.531071	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M-2H+NH4"	16.019271
"487897"	934.786971	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M-2H+NH4"	16.019271
"865216"	322.275171	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-2H+NH4"	16.019271
"46366"	633.486466	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M-2H+Na"	20.974666
"486781"	939.742366	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M-2H+Na"	20.974666
"862270"	327.230566	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-2H+Na"	20.974666
"1624153"	327.230566	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Na-2H"	20.974666
"100679"	323.236963	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M-H+Cl"	33.962126
"539145"	476.364913	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M-H+Cl"	33.962126
"929740"	170.109013	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-H+Cl"	33.962126
"269393"	647.481202	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+Cl"	34.969402
"661813"	953.737102	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+Cl"	34.969402
"1275310"	341.225302	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Cl"	34.969402
"18231"	649.460406	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M-2H+K"	36.948606
"459620"	955.716306	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M-2H+K"	36.948606
"836331"	343.204506	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-2H+K"	36.948606
"1560544"	343.204506	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+K-2H"	36.948606
"953905"	351.254094	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-H+HCOOH"	44.998194
"374305"	657.510001	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+HCOOH-H"	44.998201
"356001"	671.525651	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+Hac-H"	59.013851
"1504837"	365.269751	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Hac-H"	59.013851
"966911"	373.236051	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-H+NaCOOH"	66.980151
"114722"	341.225302	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+2Cl"	69.938804
"563033"	494.353252	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+2Cl"	69.938804
"1031832"	188.097352	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2Cl"	69.938804
"1248129"	385.174785	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Br"	78.918885
"1314953"	387.230772	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Cl+HCOOH"	80.974872
"1326981"	409.212729	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Cl+NaCOOH"	102.956829
"915486"	419.241486	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M-H+CF3COOH"	112.985586
"1291829"	455.218164	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Cl+CF3COOH"	148.962264
"1369991"	271.243224	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H-2H2O"	-35.012676
"1383478"	289.2532	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H-H2O"	-17.0027
"288997"	613.519076	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+H"	1.007276
"680326"	919.774976	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+H"	1.007276
"1354854"	307.263176	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H"	1.007276
"135033"	307.263176	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+2H"	2.014552
"569124"	460.391126	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+2H"	2.014552
"1041204"	154.135226	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2H"	2.014552
"208010"	205.177876	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+3H"	3.021828
"646114"	307.263176	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+3H"	3.021828
"1163875"	103.092576	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+3H"	3.021828
"424959"	630.545623	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+NH4"	18.033823
"787776"	936.801523	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+NH4"	18.033823
"1684106"	324.289723	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+NH4"	18.033823
"330148"	315.7764495	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+H+NH4"	19.041099
"731376"	468.9043995	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+H+NH4"	19.041099
"1485559"	162.6484995	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H+NH4"	19.041099
"398407"	635.501018	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+Na"	22.989218
"763786"	941.756918	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+Na"	22.989218
"1610786"	329.245118	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Na"	22.989218
"321916"	318.254147	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+H+Na"	23.996494
"714339"	471.382097	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+H+Na"	23.996494
"1470344"	165.126197	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H+Na"	23.996494
"1060308"	110.41989	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2H+Na"	25.00377
"1266360"	339.289386	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+CH3OH+H"	33.033486
"382751"	651.474958	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+K"	38.963158
"747025"	957.730858	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+K"	38.963158
"1546898"	345.219058	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+K"	38.963158
"306260"	326.241117	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+H+K"	39.970434
"696492"	479.369067	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+H+K"	39.970434
"1451406"	173.113167	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H+K"	39.970434
"238913"	654.545626	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+ACN+H"	42.033826
"1213811"	348.289726	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+ACN+H"	42.033826
"1195748"	174.648501	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+ACN+2H"	43.041102
"189832"	657.48296	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+2Na-H"	44.97116
"630849"	963.73886	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+2Na-H"	44.97116
"1143111"	351.22706	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2Na-H"	44.97116
"184222"	329.245118	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+2Na"	45.978436
"623050"	482.373068	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+2Na"	45.978436
"1126559"	176.117168	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2Na"	45.978436
"1404618"	117.747204	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H+2Na"	46.985712
"1436734"	353.268646	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H+HCOOH"	47.012746
"235184"	334.27814	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+3H2O+2H"	56.04448
"1523861"	367.32069	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+IsoProp+H"	61.06479
"419651"	337.232088	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+Na+K"	61.952376
"784899"	490.360038	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+Na+K"	61.952376
"1678808"	184.104138	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Na+K"	61.952376
"266057"	676.527568	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+ACN+Na"	64.015768
"1239128"	370.271668	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+ACN+Na"	64.015768
"1727286"	370.295193	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+NH4+HCOOH"	64.039293
"1191547"	125.074518	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+3Na"	68.967654
"1662533"	375.250588	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Na+HCOOH"	68.994688
"169030"	689.43084	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+2K-H"	76.91904
"609320"	995.68674	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+2K-H"	76.91904
"1091278"	383.17494	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2K-H"	76.91904
"151372"	345.219058	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"2M+2K"	77.926316
"589842"	498.347008	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"3M+2K"	77.926316
"1077636"	192.091108	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2K"	77.926316
"1106470"	385.189492	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2K+H"	78.933592
"1346137"	385.277107	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+DMSO+H"	79.021207
"1012479"	389.316276	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2ACN+H"	83.060376
"1537540"	390.309908	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+IsoProp+Na+H"	84.054008
"1004843"	195.161776	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+2ACN+2H"	84.067652
"1602140"	391.224528	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+K+HCOOH"	84.968628
"1429666"	421.256038	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+H+CF3COOH"	115.000138
"1161369"	215.675051	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+3ACN+2H"	125.094202
"1711525"	438.282585	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+NH4+CF3COOH"	132.026685
"1649361"	443.23798	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+Na+CF3COOH"	136.98208
"1583671"	459.21192	"C16522"	"Icosatrienoic acid;Eicosatrienoic acid;ETA;111417-Icosatrienoic acid;(11Z14Z17Z)-Icosa-111417-trienoic acid;111417-Eicosatrienoic acid;(11Z14Z17Z)-Eicosa-111417-trienoic acid"	"C20H34O2"	"306.2559"	"M+K+CF3COOH"	152.95602
"804195"	733.3098	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M"	0
"975174"	714.29141	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-H2O-H"	-19.01839
"72532"	487.865924	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M-3H"	-3.021828
"507718"	732.302524	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M-3H"	-3.021828
"882238"	243.429324	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-3H"	-3.021828
"811"	732.302524	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M-2H"	-2.014552
"441465"	1098.957424	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M-2H"	-2.014552
"817435"	365.647624	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-2H"	-2.014552
"93240"	1465.612324	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M-H"	-1.007276
"526478"	2198.922124	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M-H"	-1.007276
"902094"	732.302524	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-H"	-1.007276
"54282"	1482.638871	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M-2H+NH4"	16.019271
"488375"	2215.948671	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M-2H+NH4"	16.019271
"865205"	749.329071	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-2H+NH4"	16.019271
"40644"	1487.594266	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M-2H+Na"	20.974666
"479109"	2220.904066	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M-2H+Na"	20.974666
"856911"	754.284466	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-2H+Na"	20.974666
"1623534"	754.284466	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Na-2H"	20.974666
"100061"	750.290863	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M-H+Cl"	33.962126
"540349"	1116.945763	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M-H+Cl"	33.962126
"928758"	383.635963	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-H+Cl"	33.962126
"268773"	1501.589002	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+Cl"	34.969402
"663017"	2234.898802	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+Cl"	34.969402
"1278337"	768.279202	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Cl"	34.969402
"21989"	1503.568206	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M-2H+K"	36.948606
"459364"	2236.878006	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M-2H+K"	36.948606
"838263"	770.258406	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-2H+K"	36.948606
"1563934"	770.258406	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+K-2H"	36.948606
"952922"	778.307994	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-H+HCOOH"	44.998194
"373322"	1511.617801	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+HCOOH-H"	44.998201
"356111"	1525.633451	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+Hac-H"	59.013851
"1506040"	792.323651	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Hac-H"	59.013851
"967021"	800.289951	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-H+NaCOOH"	66.980151
"113739"	768.279202	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+2Cl"	69.938804
"563143"	1134.934102	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+2Cl"	69.938804
"1031942"	401.624302	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2Cl"	69.938804
"1248239"	812.228685	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Br"	78.918885
"1313970"	814.284672	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Cl+HCOOH"	80.974872
"1327091"	836.266629	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Cl+NaCOOH"	102.956829
"915961"	846.295386	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M-H+CF3COOH"	112.985586
"1290846"	882.272064	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Cl+CF3COOH"	148.962264
"1367914"	698.297124	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H-2H2O"	-35.012676
"1383953"	716.3071	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H-H2O"	-17.0027
"286920"	1467.626876	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+H"	1.007276
"681529"	2200.936676	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+H"	1.007276
"1356786"	734.317076	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H"	1.007276
"135143"	734.317076	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+2H"	2.014552
"571420"	1100.971976	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+2H"	2.014552
"1044595"	367.662176	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2H"	2.014552
"211401"	489.880476	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+3H"	3.021828
"649868"	734.317076	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+3H"	3.021828
"1162971"	245.443876	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+3H"	3.021828
"425069"	1484.653423	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+NH4"	18.033823
"787886"	2217.963223	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+NH4"	18.033823
"1684216"	751.343623	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+NH4"	18.033823
"330102"	742.8303495	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+H+NH4"	19.041099
"728934"	1109.4852495	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+H+NH4"	19.041099
"1483482"	376.1754495	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H+NH4"	19.041099
"398151"	1489.608818	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+Na"	22.989218
"760608"	2222.918618	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+Na"	22.989218
"1609799"	756.299018	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Na"	22.989218
"322027"	745.308047	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+H+Na"	23.996494
"713355"	1111.962947	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+H+Na"	23.996494
"1467174"	378.653147	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H+Na"	23.996494
"1058231"	252.77119	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2H+Na"	25.00377
"1262096"	766.343286	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+CH3OH+H"	33.033486
"379581"	1505.582758	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+K"	38.963158
"740209"	2238.892558	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+K"	38.963158
"1543727"	772.272958	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+K"	38.963158
"304182"	753.295017	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+H+K"	39.970434
"693320"	1119.949917	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+H+K"	39.970434
"1449329"	386.640117	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H+K"	39.970434
"240117"	1508.653426	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+ACN+H"	42.033826
"1213921"	775.343626	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+ACN+H"	42.033826
"1195737"	388.175451	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+ACN+2H"	43.041102
"188879"	1511.59076	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+2Na-H"	44.97116
"628966"	2244.90056	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+2Na-H"	44.97116
"1142492"	778.28096	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2Na-H"	44.97116
"186398"	756.299018	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+2Na"	45.978436
"625349"	1122.953918	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+2Na"	45.978436
"1126669"	389.644118	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2Na"	45.978436
"1406914"	260.098504	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H+2Na"	46.985712
"1436843"	780.322546	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H+HCOOH"	47.012746
"233832"	761.33204	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+3H2O+2H"	56.04448
"1523644"	794.37459	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+IsoProp+H"	61.06479
"418667"	764.285988	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+Na+K"	61.952376
"784766"	1130.940888	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+Na+K"	61.952376
"1678550"	397.631088	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Na+K"	61.952376
"264707"	1530.635368	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+ACN+Na"	64.015768
"1238508"	797.325568	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+ACN+Na"	64.015768
"1724114"	797.349093	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+NH4+HCOOH"	64.039293
"1191290"	267.425818	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+3Na"	68.967654
"1660088"	802.304488	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Na+HCOOH"	68.994688
"166221"	1543.53864	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+2K-H"	76.91904
"605783"	2276.84844	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+2K-H"	76.91904
"1088108"	810.22884	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2K-H"	76.91904
"147108"	772.272958	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"2M+2K"	77.926316
"584483"	1138.927858	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"3M+2K"	77.926316
"1078839"	405.618058	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2K"	77.926316
"1106580"	812.243392	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2K+H"	78.933592
"1346247"	812.331007	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+DMSO+H"	79.021207
"1013683"	816.370176	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2ACN+H"	83.060376
"1536921"	817.363808	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+IsoProp+Na+H"	84.054008
"1003735"	408.688726	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+2ACN+2H"	84.067652
"1601153"	818.278428	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+K+HCOOH"	84.968628
"1428271"	848.309938	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+H+CF3COOH"	115.000138
"1161113"	429.202001	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+3ACN+2H"	125.094202
"1709204"	865.336485	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+NH4+CF3COOH"	132.026685
"1649225"	870.29188	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+Na+CF3COOH"	136.98208
"1583781"	886.26582	"C16523"	"3-N-Debenzoyl-2-deoxytaxol;beta-Phenylalanoyl baccatin III;13-O-beta-Phenylalanoylbaccatin III"	"C40H47NO12"	"733.3098"	"M+K+CF3COOH"	152.95602
"807585"	749.3047	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M"	0
"974836"	730.28631	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-H2O-H"	-19.01839
"70455"	498.529190666667	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M-3H"	-3.021828
"505641"	748.297424	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M-3H"	-3.021828
"882348"	248.760957333333	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-3H"	-3.021828
"675"	748.297424	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M-2H"	-2.014552
"442666"	1122.949774	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M-2H"	-2.014552
"817589"	373.645074	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-2H"	-2.014552
"93473"	1497.602124	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M-H"	-1.007276
"528775"	2246.906824	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M-H"	-1.007276
"902204"	748.297424	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-H"	-1.007276
"54392"	1514.628671	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M-2H+NH4"	16.019271
"489578"	2263.933371	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M-2H+NH4"	16.019271
"868474"	765.323971	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-2H+NH4"	16.019271
"40754"	1519.584066	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M-2H+Na"	20.974666
"478126"	2268.888766	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M-2H+Na"	20.974666
"851551"	770.279366	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-2H+Na"	20.974666
"1619991"	770.279366	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Na-2H"	20.974666
"95428"	766.285763	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M-H+Cl"	33.962126
"536813"	1140.938113	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M-H+Cl"	33.962126
"929599"	391.633413	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-H+Cl"	33.962126
"270343"	1533.578802	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+Cl"	34.969402
"663127"	2282.883502	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+Cl"	34.969402
"1279542"	784.274102	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Cl"	34.969402
"23193"	1535.558006	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M-2H+K"	36.948606
"456355"	2284.862706	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M-2H+K"	36.948606
"839466"	786.253306	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-2H+K"	36.948606
"1557486"	786.253306	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+K-2H"	36.948606
"953032"	794.302894	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-H+HCOOH"	44.998194
"375619"	1543.607601	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+HCOOH-H"	44.998201
"349660"	1557.623251	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+Hac-H"	59.013851
"1507243"	808.318551	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Hac-H"	59.013851
"969318"	816.284851	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-H+NaCOOH"	66.980151
"113849"	784.274102	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+2Cl"	69.938804
"563253"	1158.926452	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+2Cl"	69.938804
"1032052"	409.621752	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2Cl"	69.938804
"1249442"	828.223585	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Br"	78.918885
"1314080"	830.279572	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Cl+HCOOH"	80.974872
"1327201"	852.261529	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Cl+NaCOOH"	102.956829
"914978"	862.290286	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M-H+CF3COOH"	112.985586
"1290592"	898.266964	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Cl+CF3COOH"	148.962264
"1368024"	714.292024	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H-2H2O"	-35.012676
"1383334"	732.302	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H-H2O"	-17.0027
"287030"	1499.616676	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+H"	1.007276
"679453"	2248.921376	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+H"	1.007276
"1355803"	750.311976	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H"	1.007276
"136346"	750.311976	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+2H"	2.014552
"570438"	1124.964326	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+2H"	2.014552
"1044705"	375.659626	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2H"	2.014552
"211510"	500.543742666667	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+3H"	3.021828
"647792"	750.311976	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+3H"	3.021828
"1163485"	250.775509333333	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+3H"	3.021828
"424932"	1516.643223	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+NH4"	18.033823
"790183"	2265.947923	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+NH4"	18.033823
"1683233"	767.338523	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+NH4"	18.033823
"330297"	758.8252495	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+H+NH4"	19.041099
"729044"	1133.4775995	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+H+NH4"	19.041099
"1481405"	384.1728995	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H+NH4"	19.041099
"394981"	1521.598618	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+Na"	22.989218
"761811"	2270.903318	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+Na"	22.989218
"1611002"	772.293918	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Na"	22.989218
"321043"	761.302947	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+H+Na"	23.996494
"713465"	1135.955297	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+H+Na"	23.996494
"1468377"	386.650597	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H+Na"	23.996494
"1059434"	258.102823333333	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2H+Na"	25.00377
"1262206"	782.338186	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+CH3OH+H"	33.033486
"380784"	1537.572558	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+K"	38.963158
"741778"	2286.877258	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+K"	38.963158
"1547117"	788.267858	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+K"	38.963158
"303198"	769.289917	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+H+K"	39.970434
"693430"	1143.942267	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+H+K"	39.970434
"1451626"	394.637567	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H+K"	39.970434
"236943"	1540.643226	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+ACN+H"	42.033826
"1212938"	791.338526	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+ACN+H"	42.033826
"1195726"	396.172901	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+ACN+2H"	43.041102
"189923"	1543.58056	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+2Na-H"	44.97116
"628752"	2292.88526	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+2Na-H"	44.97116
"1142238"	794.27586	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2Na-H"	44.97116
"186387"	772.293918	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+2Na"	45.978436
"626310"	1146.946268	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+2Na"	45.978436
"1126779"	397.641568	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2Na"	45.978436
"1405930"	265.430137333333	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H+2Na"	46.985712
"1436953"	796.317446	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H+HCOOH"	47.012746
"228837"	777.32694	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+3H2O+2H"	56.04448
"1523348"	810.36949	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+IsoProp+H"	61.06479
"422057"	780.280888	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+Na+K"	61.952376
"784513"	1154.933238	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+Na+K"	61.952376
"1679390"	405.628538	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Na+K"	61.952376
"265791"	1562.625168	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+ACN+Na"	64.015768
"1239347"	813.320468	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+ACN+Na"	64.015768
"1723495"	813.343993	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+NH4+HCOOH"	64.039293
"1189943"	272.757451333333	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+3Na"	68.967654
"1659105"	818.299388	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Na+HCOOH"	68.994688
"165967"	1575.52844	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+2K-H"	76.91904
"605893"	2324.83314	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+2K-H"	76.91904
"1090404"	826.22374	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2K-H"	76.91904
"149405"	788.267858	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"2M+2K"	77.926316
"585686"	1162.920208	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"3M+2K"	77.926316
"1076762"	413.615508	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2K"	77.926316
"1107783"	828.238292	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2K+H"	78.933592
"1344170"	828.325907	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+DMSO+H"	79.021207
"1011606"	832.365076	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2ACN+H"	83.060376
"1536302"	833.358708	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+IsoProp+Na+H"	84.054008
"1002750"	416.686176	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+2ACN+2H"	84.067652
"1599439"	834.273328	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+K+HCOOH"	84.968628
"1428380"	864.304838	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+H+CF3COOH"	115.000138
"1161223"	437.199451	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+3ACN+2H"	125.094202
"1709314"	881.331385	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+NH4+CF3COOH"	132.026685
"1649335"	886.28678	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+Na+CF3COOH"	136.98208
"1583891"	902.26072	"C16524"	"3-N-Debenzoyltaxol;13-O-3-Phenylisoserinoyl baccatin III"	"C40H47NO13"	"749.3047"	"M+K+CF3COOH"	152.95602
"804415"	308.2715	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M"	0
"975636"	289.25311	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-H2O-H"	-19.01839
"70565"	204.507057333333	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M-3H"	-3.021828
"505751"	307.264224	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M-3H"	-3.021828
"882458"	101.749890666667	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-3H"	-3.021828
"60"	307.264224	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M-2H"	-2.014552
"440099"	461.399974	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M-2H"	-2.014552
"817194"	153.128474	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-2H"	-2.014552
"89326"	615.535724	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M-H"	-1.007276
"523417"	923.807224	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M-H"	-1.007276
"901217"	307.264224	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-H"	-1.007276
"49034"	632.562271	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M-2H+NH4"	16.019271
"489688"	940.833771	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M-2H+NH4"	16.019271
"866033"	324.290771	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-2H+NH4"	16.019271
"40864"	637.517666	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M-2H+Na"	20.974666
"478236"	945.789166	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M-2H+Na"	20.974666
"849839"	329.246166	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-2H+Na"	20.974666
"1620101"	329.246166	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Na-2H"	20.974666
"96631"	325.252563	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M-H+Cl"	33.962126
"536923"	479.388313	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M-H+Cl"	33.962126
"928615"	171.116813	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-H+Cl"	33.962126
"272639"	651.512402	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+Cl"	34.969402
"662507"	959.783902	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+Cl"	34.969402
"1281838"	343.240902	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Cl"	34.969402
"17588"	653.491606	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M-2H+K"	36.948606
"458125"	961.763106	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M-2H+K"	36.948606
"834833"	345.220106	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-2H+K"	36.948606
"1556495"	345.220106	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+K-2H"	36.948606
"954234"	353.269694	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-H+HCOOH"	44.998194
"371355"	661.541201	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+HCOOH-H"	44.998201
"348676"	675.556851	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+Hac-H"	59.013851
"1506989"	367.285351	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Hac-H"	59.013851
"967239"	375.251651	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-H+NaCOOH"	66.980151
"114323"	343.240902	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+2Cl"	69.938804
"563363"	497.376652	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+2Cl"	69.938804
"1028882"	189.105152	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2Cl"	69.938804
"1248459"	387.190385	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Br"	78.918885
"1313097"	389.246372	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Cl+HCOOH"	80.974872
"1326218"	411.228329	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Cl+NaCOOH"	102.956829
"913995"	421.257086	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M-H+CF3COOH"	112.985586
"1289609"	457.233764	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Cl+CF3COOH"	148.962264
"1368134"	273.258824	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H-2H2O"	-35.012676
"1383360"	291.2688	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H-H2O"	-17.0027
"285318"	617.550276	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+H"	1.007276
"679563"	925.821776	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+H"	1.007276
"1355912"	309.278776	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H"	1.007276
"136455"	309.278776	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+2H"	2.014552
"573828"	463.414526	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+2H"	2.014552
"1043721"	155.143026	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2H"	2.014552
"210526"	206.521609333333	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+3H"	3.021828
"650088"	309.278776	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+3H"	3.021828
"1163961"	103.764442666667	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+3H"	3.021828
"425288"	634.576823	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+NH4"	18.033823
"789200"	942.848323	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+NH4"	18.033823
"1684437"	326.305323	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+NH4"	18.033823
"330329"	317.7920495	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+H+NH4"	19.041099
"729519"	471.9277995	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+H+NH4"	19.041099
"1480422"	163.6562995	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H+NH4"	19.041099
"395091"	639.532218	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+Na"	22.989218
"763014"	947.803718	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+Na"	22.989218
"1611112"	331.260718	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Na"	22.989218
"322247"	320.269747	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+H+Na"	23.996494
"714669"	474.405497	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+H+Na"	23.996494
"1467394"	166.133997	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H+Na"	23.996494
"1057358"	111.091756666667	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2H+Na"	25.00377
"1262316"	341.304986	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+CH3OH+H"	33.033486
"380895"	655.506158	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+K"	38.963158
"746263"	963.777658	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+K"	38.963158
"1547227"	347.234658	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+K"	38.963158
"303308"	328.256717	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+H+K"	39.970434
"697916"	482.392467	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+H+K"	39.970434
"1446631"	174.120967	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H+K"	39.970434
"235917"	658.576826	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+ACN+H"	42.033826
"1210164"	350.305326	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+ACN+H"	42.033826
"1194976"	175.656301	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+ACN+2H"	43.041102
"191249"	661.51416	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+2Na-H"	44.97116
"631537"	969.78566	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+2Na-H"	44.97116
"1142712"	353.24266	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2Na-H"	44.97116
"182729"	331.260718	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+2Na"	45.978436
"626541"	485.396468	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+2Na"	45.978436
"1121421"	177.124968	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2Na"	45.978436
"1404217"	118.419070666667	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H+2Na"	46.985712
"1438155"	355.284246	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H+HCOOH"	47.012746
"230040"	336.29374	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+3H2O+2H"	56.04448
"1521877"	369.33629	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+IsoProp+H"	61.06479
"418887"	339.247688	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+Na+K"	61.952376
"784135"	493.383438	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+Na+K"	61.952376
"1678771"	185.111938	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Na+K"	61.952376
"264563"	680.558768	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+ACN+Na"	64.015768
"1237633"	372.287268	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+ACN+Na"	64.015768
"1722875"	372.310793	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+NH4+HCOOH"	64.039293
"1190052"	125.746384666667	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+3Na"	68.967654
"1655205"	377.266188	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Na+HCOOH"	68.994688
"166440"	693.46204	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+2K-H"	76.91904
"609644"	1001.73354	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+2K-H"	76.91904
"1088326"	385.19054	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2K-H"	76.91904
"148421"	347.234658	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"2M+2K"	77.926316
"587982"	501.370408	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"3M+2K"	77.926316
"1079059"	193.098908	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2K"	77.926316
"1107893"	387.205092	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2K+H"	78.933592
"1345373"	387.292707	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+DMSO+H"	79.021207
"1010622"	391.331876	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2ACN+H"	83.060376
"1538598"	392.325508	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+IsoProp+Na+H"	84.054008
"1002860"	196.169576	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+2ACN+2H"	84.067652
"1598456"	393.240128	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+K+HCOOH"	84.968628
"1428977"	423.271638	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+H+CF3COOH"	115.000138
"1162184"	216.682851	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+3ACN+2H"	125.094202
"1709424"	440.298185	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+NH4+CF3COOH"	132.026685
"1649081"	445.25358	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+Na+CF3COOH"	136.98208
"1584001"	461.22752	"C16525"	"Icosadienoic acid;Eicosadienoic acid;1114-Icosadienoic acid;(11Z14Z)-Icosa-1114-dienoic acid;1114-Eicosadienoic acid;(11Z14Z)-Eicosa-1114-dienoic acid"	"C20H36O2"	"308.2715"	"M+K+CF3COOH"	152.95602
"804525"	310.2872	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M"	0
"975017"	291.26881	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-H2O-H"	-19.01839
"70675"	205.850857333333	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M-3H"	-3.021828
"505861"	309.279924	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M-3H"	-3.021828
"881475"	102.421790666667	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-3H"	-3.021828
"2235"	309.279924	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M-2H"	-2.014552
"440701"	464.423524	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M-2H"	-2.014552
"818015"	154.136324	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-2H"	-2.014552
"90529"	619.567124	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M-H"	-1.007276
"528995"	929.854324	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M-H"	-1.007276
"903516"	309.279924	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-H"	-1.007276
"52423"	636.593671	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M-2H+NH4"	16.019271
"490888"	946.880871	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M-2H+NH4"	16.019271
"866504"	326.306471	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-2H+NH4"	16.019271
"44255"	641.549066	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M-2H+Na"	20.974666
"478346"	951.836266	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M-2H+Na"	20.974666
"852866"	331.261866	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-2H+Na"	20.974666
"1620332"	331.261866	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Na-2H"	20.974666
"96741"	327.268263	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M-H+Cl"	33.962126
"537397"	482.411863	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M-H+Cl"	33.962126
"928725"	172.124663	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-H+Cl"	33.962126
"270562"	655.543802	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+Cl"	34.969402
"661279"	965.831002	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+Cl"	34.969402
"1281948"	345.256602	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Cl"	34.969402
"18305"	657.523006	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M-2H+K"	36.948606
"457627"	967.810206	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M-2H+K"	36.948606
"834580"	347.235806	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-2H+K"	36.948606
"1556969"	347.235806	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+K-2H"	36.948606
"952158"	355.285394	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-H+HCOOH"	44.998194
"371464"	665.572601	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+HCOOH-H"	44.998201
"349880"	679.588251	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+Hac-H"	59.013851
"1498715"	369.301051	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Hac-H"	59.013851
"967349"	377.267351	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-H+NaCOOH"	66.980151
"116256"	345.256602	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+2Cl"	69.938804
"562380"	500.400202	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+2Cl"	69.938804
"1028992"	190.113002	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2Cl"	69.938804
"1248569"	389.206085	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Br"	78.918885
"1313207"	391.262072	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Cl+HCOOH"	80.974872
"1327421"	413.244029	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Cl+NaCOOH"	102.956829
"916291"	423.272786	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M-H+CF3COOH"	112.985586
"1290812"	459.249464	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Cl+CF3COOH"	148.962264
"1368973"	275.274524	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H-2H2O"	-35.012676
"1383554"	293.2845	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H-H2O"	-17.0027
"285064"	621.581676	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+H"	1.007276
"680766"	931.868876	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+H"	1.007276
"1357116"	311.294476	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H"	1.007276
"134379"	311.294476	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+2H"	2.014552
"569565"	466.438076	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+2H"	2.014552
"1040551"	156.150876	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2H"	2.014552
"209544"	207.865409333333	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+3H"	3.021828
"649105"	311.294476	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+3H"	3.021828
"1166137"	104.436342666667	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+3H"	3.021828
"425033"	638.608223	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+NH4"	18.033823
"790405"	948.895423	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+NH4"	18.033823
"1684548"	328.321023	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+NH4"	18.033823
"332825"	319.8077495	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+H+NH4"	19.041099
"724158"	474.9513495	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+H+NH4"	19.041099
"1480532"	164.6641495	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H+NH4"	19.041099
"395201"	643.563618	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+Na"	22.989218
"760938"	953.850818	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+Na"	22.989218
"1609035"	333.276418	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Na"	22.989218
"321264"	322.285447	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+H+Na"	23.996494
"714780"	477.429047	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+H+Na"	23.996494
"1467507"	167.141847	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H+Na"	23.996494
"1055284"	111.763656666667	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2H+Na"	25.00377
"1262429"	343.320686	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+CH3OH+H"	33.033486
"381369"	659.537558	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+K"	38.963158
"744188"	969.824758	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+K"	38.963158
"1547337"	349.250358	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+K"	38.963158
"306699"	330.272417	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+H+K"	39.970434
"696933"	485.416017	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+H+K"	39.970434
"1450752"	175.128817	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H+K"	39.970434
"237528"	662.608226	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+ACN+H"	42.033826
"1211085"	352.321026	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+ACN+H"	42.033826
"1195572"	176.664151	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+ACN+2H"	43.041102
"190147"	665.54556	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+2Na-H"	44.97116
"631647"	975.83276	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+2Na-H"	44.97116
"1141727"	355.25836	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2Na-H"	44.97116
"180650"	333.276418	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+2Na"	45.978436
"621303"	488.420018	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+2Na"	45.978436
"1124811"	178.132818	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2Na"	45.978436
"1400680"	119.090970666667	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H+2Na"	46.985712
"1432795"	357.299946	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H+HCOOH"	47.012746
"224683"	338.30944	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+3H2O+2H"	56.04448
"1522229"	371.35199	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+IsoProp+H"	61.06479
"420090"	341.263388	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+Na+K"	61.952376
"784366"	496.406988	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+Na+K"	61.952376
"1677787"	186.119788	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Na+K"	61.952376
"264669"	684.590168	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+ACN+Na"	64.015768
"1238107"	374.302968	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+ACN+Na"	64.015768
"1724078"	374.326493	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+NH4+HCOOH"	64.039293
"1189433"	126.418284666667	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+3Na"	68.967654
"1656408"	379.281888	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Na+HCOOH"	68.994688
"166549"	697.49344	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+2K-H"	76.91904
"607202"	1007.78064	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+2K-H"	76.91904
"1092443"	387.20624	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2K-H"	76.91904
"149624"	349.250358	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"2M+2K"	77.926316
"586999"	504.393958	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"3M+2K"	77.926316
"1079169"	194.106758	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2K"	77.926316
"1106907"	389.220792	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2K+H"	78.933592
"1346577"	389.308407	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+DMSO+H"	79.021207
"1011826"	393.347576	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2ACN+H"	83.060376
"1538708"	394.341208	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+IsoProp+Na+H"	84.054008
"1004428"	197.177426	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+2ACN+2H"	84.067652
"1598566"	395.255828	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+K+HCOOH"	84.968628
"1424225"	425.287338	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+H+CF3COOH"	115.000138
"1161807"	217.690701	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+3ACN+2H"	125.094202
"1708441"	442.313885	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+NH4+CF3COOH"	132.026685
"1646275"	447.26928	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+Na+CF3COOH"	136.98208
"1584111"	463.24322	"C16526"	"Icosenoic acid;Eicosenoic acid;11-Icosenoic acid;11-Eicosenoic acid;(11Z)-Icosenoic acid;(11Z)-Eicosenoic acid;(Z)-Icosa-11-enoic acid"	"C20H38O2"	"310.2872"	"M+K+CF3COOH"	152.95602
"804635"	332.2715	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M"	0
"974884"	313.25311	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-H2O-H"	-19.01839
"70785"	220.507057333333	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M-3H"	-3.021828
"505971"	331.264224	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M-3H"	-3.021828
"880726"	109.749890666667	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-3H"	-3.021828
"1373"	331.264224	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M-2H"	-2.014552
"441052"	497.399974	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M-2H"	-2.014552
"817555"	165.128474	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-2H"	-2.014552
"90639"	663.535724	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M-H"	-1.007276
"529105"	995.807224	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M-H"	-1.007276
"903626"	331.264224	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-H"	-1.007276
"52533"	680.562271	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M-2H+NH4"	16.019271
"490998"	1012.833771	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M-2H+NH4"	16.019271
"866614"	348.290771	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-2H+NH4"	16.019271
"37798"	685.517666	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M-2H+Na"	20.974666
"478456"	1017.789166	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M-2H+Na"	20.974666
"850303"	353.246166	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-2H+Na"	20.974666
"1620685"	353.246166	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Na-2H"	20.974666
"95270"	349.252563	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M-H+Cl"	33.962126
"535563"	515.388313	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M-H+Cl"	33.962126
"928223"	183.116813	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-H+Cl"	33.962126
"269579"	699.512402	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+Cl"	34.969402
"661510"	1031.783902	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+Cl"	34.969402
"1279871"	367.240902	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Cl"	34.969402
"18415"	701.491606	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M-2H+K"	36.948606
"457618"	1033.763106	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M-2H+K"	36.948606
"834445"	369.220106	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-2H+K"	36.948606
"1557567"	369.220106	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+K-2H"	36.948606
"954091"	377.269694	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-H+HCOOH"	44.998194
"371574"	709.541201	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+HCOOH-H"	44.998201
"351083"	723.556851	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+Hac-H"	59.013851
"1501011"	391.285351	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Hac-H"	59.013851
"966364"	399.251651	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-H+NaCOOH"	66.980151
"116366"	367.240902	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+2Cl"	69.938804
"562490"	533.376652	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+2Cl"	69.938804
"1029102"	201.105152	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2Cl"	69.938804
"1249772"	411.190385	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Br"	78.918885
"1313317"	413.246372	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Cl+HCOOH"	80.974872
"1326437"	435.228329	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Cl+NaCOOH"	102.956829
"916401"	445.257086	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M-H+CF3COOH"	112.985586
"1292015"	481.233764	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Cl+CF3COOH"	148.962264
"1367990"	297.258824	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H-2H2O"	-35.012676
"1383421"	315.2688	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H-H2O"	-17.0027
"286267"	665.550276	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+H"	1.007276
"676623"	997.821776	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+H"	1.007276
"1353946"	333.278776	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H"	1.007276
"132302"	333.278776	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+2H"	2.014552
"574049"	499.414526	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+2H"	2.014552
"1043942"	167.143026	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2H"	2.014552
"210748"	222.521609333333	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+3H"	3.021828
"650309"	333.278776	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+3H"	3.021828
"1167342"	111.764442666667	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+3H"	3.021828
"427333"	682.576823	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+NH4"	18.033823
"793795"	1014.848323	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+NH4"	18.033823
"1685751"	350.305323	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+NH4"	18.033823
"334029"	341.7920495	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+H+NH4"	19.041099
"723660"	507.9277995	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+H+NH4"	19.041099
"1481371"	175.6562995	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H+NH4"	19.041099
"396405"	687.532218	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+Na"	22.989218
"759955"	1019.803718	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+Na"	22.989218
"1609145"	355.260718	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Na"	22.989218
"320281"	344.269747	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+H+Na"	23.996494
"714890"	510.405497	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+H+Na"	23.996494
"1469803"	178.133997	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H+Na"	23.996494
"1054301"	119.091756666667	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2H+Na"	25.00377
"1261446"	365.304986	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+CH3OH+H"	33.033486
"380020"	703.506158	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+K"	38.963158
"745390"	1035.777658	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+K"	38.963158
"1547447"	371.234658	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+K"	38.963158
"310089"	352.256717	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+H+K"	39.970434
"697043"	518.392467	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+H+K"	39.970434
"1448675"	186.120967	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H+K"	39.970434
"235940"	706.576826	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+ACN+H"	42.033826
"1211076"	374.305326	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+ACN+H"	42.033826
"1197145"	187.656301	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+ACN+2H"	43.041102
"189165"	709.51416	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+2Na-H"	44.97116
"629693"	1041.78566	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+2Na-H"	44.97116
"1137464"	377.24266	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2Na-H"	44.97116
"180760"	355.260718	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+2Na"	45.978436
"621413"	521.396468	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+2Na"	45.978436
"1127108"	189.124968	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2Na"	45.978436
"1402977"	126.419070666667	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H+2Na"	46.985712
"1431810"	379.284246	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H+HCOOH"	47.012746
"224793"	360.29374	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+3H2O+2H"	56.04448
"1522340"	393.33629	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+IsoProp+H"	61.06479
"422387"	363.247688	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+Na+K"	61.952376
"780101"	529.383438	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+Na+K"	61.952376
"1677531"	197.111938	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Na+K"	61.952376
"265506"	728.558768	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+ACN+Na"	64.015768
"1237849"	396.287268	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+ACN+Na"	64.015768
"1722365"	396.310793	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+NH4+HCOOH"	64.039293
"1187720"	133.746384666667	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+3Na"	68.967654
"1658704"	401.266188	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Na+HCOOH"	68.994688
"168479"	741.46204	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+2K-H"	76.91904
"605125"	1073.73354	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+2K-H"	76.91904
"1090730"	409.19054	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2K-H"	76.91904
"147546"	371.234658	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"2M+2K"	77.926316
"584923"	537.370408	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"3M+2K"	77.926316
"1072716"	205.098908	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2K"	77.926316
"1105923"	411.205092	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2K+H"	78.933592
"1345593"	411.292707	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+DMSO+H"	79.021207
"1010842"	415.331876	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2ACN+H"	83.060376
"1538697"	416.325508	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+IsoProp+Na+H"	84.054008
"1005514"	208.169576	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+2ACN+2H"	84.067652
"1601714"	417.240128	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+K+HCOOH"	84.968628
"1427615"	447.271638	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+H+CF3COOH"	115.000138
"1162281"	228.682851	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+3ACN+2H"	125.094202
"1711345"	464.298185	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+NH4+CF3COOH"	132.026685
"1649546"	469.25358	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+Na+CF3COOH"	136.98208
"1584221"	485.22752	"C16527"	"7101316-Docosatetraenoic acid;(7Z10Z13Z16Z)-Docosa-7101316-tetraenoic acid;Adrenic acid"	"C22H36O2"	"332.2715"	"M+K+CF3COOH"	152.95602
"811306"	1089.4388	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M"	0
"981558"	1070.42041	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-H2O-H"	-19.01839
"70895"	725.285257333333	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M-3H"	-3.021828
"506080"	1088.431524	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M-3H"	-3.021828
"881694"	362.138990666667	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-3H"	-3.021828
"2455"	1088.431524	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M-2H"	-2.014552
"442016"	1633.150924	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M-2H"	-2.014552
"818355"	543.712124	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-2H"	-2.014552
"94124"	2177.870324	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M-H"	-1.007276
"533594"	3267.309124	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M-H"	-1.007276
"906288"	1088.431524	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-H"	-1.007276
"56654"	2194.896871	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M-2H+NH4"	16.019271
"493297"	3284.335671	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M-2H+NH4"	16.019271
"872195"	1105.458071	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-2H+NH4"	16.019271
"41191"	2199.852266	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M-2H+Na"	20.974666
"478565"	3289.291066	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M-2H+Na"	20.974666
"851993"	1110.413466	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-2H+Na"	20.974666
"1622618"	1110.413466	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Na-2H"	20.974666
"103525"	1106.419863	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M-H+Cl"	33.962126
"536891"	1651.139263	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M-H+Cl"	33.962126
"927609"	561.700463	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-H+Cl"	33.962126
"271876"	2213.847002	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+Cl"	34.969402
"665391"	3303.285802	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+Cl"	34.969402
"1279981"	1124.408202	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Cl"	34.969402
"19619"	2215.826206	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M-2H+K"	36.948606
"457363"	3305.265006	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M-2H+K"	36.948606
"834439"	1126.387406	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-2H+K"	36.948606
"1557924"	1126.387406	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+K-2H"	36.948606
"955294"	1134.436994	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-H+HCOOH"	44.998194
"368405"	2223.875801	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+HCOOH-H"	44.998201
"353380"	2237.891451	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+Hac-H"	59.013851
"1501121"	1148.452651	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Hac-H"	59.013851
"961006"	1156.418951	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-H+NaCOOH"	66.980151
"116478"	1124.408202	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+2Cl"	69.938804
"559320"	1669.127602	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+2Cl"	69.938804
"1029212"	579.688802	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2Cl"	69.938804
"1248789"	1168.357685	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Br"	78.918885
"1319746"	1170.413672	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Cl+HCOOH"	80.974872
"1335563"	1192.395629	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Cl+NaCOOH"	102.956829
"923073"	1202.424386	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M-H+CF3COOH"	112.985586
"1298687"	1238.401064	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Cl+CF3COOH"	148.962264
"1371382"	1054.426124	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H-2H2O"	-35.012676
"1395442"	1072.4361	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H-H2O"	-17.0027
"290752"	2179.884876	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+H"	1.007276
"682081"	3269.323676	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+H"	1.007276
"1359524"	1090.446076	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H"	1.007276
"135694"	1090.446076	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+2H"	2.014552
"571974"	1635.165476	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+2H"	2.014552
"1044052"	545.726676	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2H"	2.014552
"214141"	727.299809333333	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+3H"	3.021828
"652608"	1090.446076	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+3H"	3.021828
"1168548"	364.153542666667	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+3H"	3.021828
"427812"	2196.911423	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+NH4"	18.033823
"792817"	3286.350223	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+NH4"	18.033823
"1685866"	1107.472623	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+NH4"	18.033823
"334507"	1098.9593495	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+H+NH4"	19.041099
"725835"	1643.6787495	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+H+NH4"	19.041099
"1480388"	554.2399495	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H+NH4"	19.041099
"396881"	2201.866818	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+Na"	22.989218
"760065"	3291.305618	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+Na"	22.989218
"1608162"	1112.428018	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Na"	22.989218
"321486"	1101.437047	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+H+Na"	23.996494
"715000"	1646.156447	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+H+Na"	23.996494
"1469913"	556.717647	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H+Na"	23.996494
"1055504"	371.480856666667	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2H+Na"	25.00377
"1262649"	1122.472286	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+CH3OH+H"	33.033486
"382316"	2217.840758	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+K"	38.963158
"745502"	3307.279558	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+K"	38.963158
"1553754"	1128.401958	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+K"	38.963158
"306920"	1109.424017	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+H+K"	39.970434
"705537"	1654.143417	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+H+K"	39.970434
"1453160"	564.704617	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H+K"	39.970434
"240668"	2220.911426	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+ACN+H"	42.033826
"1214472"	1131.472626	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+ACN+H"	42.033826
"1198354"	566.239951	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+ACN+2H"	43.041102
"195595"	2223.84876	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+2Na-H"	44.97116
"635153"	3313.28756	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+2Na-H"	44.97116
"1141949"	1134.40996	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2Na-H"	44.97116
"184882"	1112.428018	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+2Na"	45.978436
"623347"	1657.147418	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+2Na"	45.978436
"1130136"	567.708618	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2Na"	45.978436
"1405640"	378.808170666667	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H+2Na"	46.985712
"1433381"	1136.451546	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H+HCOOH"	47.012746
"229277"	1117.46104	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+3H2O+2H"	56.04448
"1523180"	1150.50359	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+IsoProp+H"	61.06479
"422497"	1120.414988	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+Na+K"	61.952376
"785277"	1665.134388	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+Na+K"	61.952376
"1677640"	575.695588	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Na+K"	61.952376
"264158"	2242.893368	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+ACN+Na"	64.015768
"1235773"	1153.454568	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+ACN+Na"	64.015768
"1725028"	1153.478093	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+NH4+HCOOH"	64.039293
"1188922"	386.135484666667	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+3Na"	68.967654
"1658815"	1158.433488	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Na+HCOOH"	68.994688
"165673"	2255.79664	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+2K-H"	76.91904
"604138"	3345.23544	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+2K-H"	76.91904
"1089746"	1166.35784	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2K-H"	76.91904
"147656"	1128.401958	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"2M+2K"	77.926316
"586126"	1673.121358	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"3M+2K"	77.926316
"1075012"	583.682558	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2K"	77.926316
"1108219"	1168.372392	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2K+H"	78.933592
"1345703"	1168.460007	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+DMSO+H"	79.021207
"1010953"	1172.499176	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2ACN+H"	83.060376
"1537835"	1173.492808	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+IsoProp+Na+H"	84.054008
"1005259"	586.753226	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+2ACN+2H"	84.067652
"1601582"	1174.407428	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+K+HCOOH"	84.968628
"1426632"	1204.438938	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+H+CF3COOH"	115.000138
"1162635"	607.266501	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+3ACN+2H"	125.094202
"1711940"	1221.465485	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+NH4+CF3COOH"	132.026685
"1649049"	1226.42088	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+Na+CF3COOH"	136.98208
"1584331"	1242.39482	"C16528"	"Docosanoyl-CoA;Behenoyl-CoA"	"C43H78N7O17P3S"	"1089.4388"	"M+K+CF3COOH"	152.95602
"804855"	1117.4701	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M"	0
"975106"	1098.45171	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-H2O-H"	-19.01839
"71005"	743.972790666667	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M-3H"	-3.021828
"511659"	1116.462824	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M-3H"	-3.021828
"880711"	371.482757333333	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-3H"	-3.021828
"1472"	1116.462824	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M-2H"	-2.014552
"440049"	1675.197874	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M-2H"	-2.014552
"817855"	557.727774	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-2H"	-2.014552
"89766"	2233.932924	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M-H"	-1.007276
"526045"	3351.403024	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M-H"	-1.007276
"899472"	1116.462824	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-H"	-1.007276
"49471"	2250.959471	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M-2H+NH4"	16.019271
"488058"	3368.429571	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M-2H+NH4"	16.019271
"866835"	1133.489371	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-2H+NH4"	16.019271
"33643"	2255.914866	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M-2H+Na"	20.974666
"478675"	3373.384966	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M-2H+Na"	20.974666
"851372"	1138.444766	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-2H+Na"	20.974666
"1623824"	1138.444766	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Na-2H"	20.974666
"103635"	1134.451163	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M-H+Cl"	33.962126
"534936"	1693.186213	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M-H+Cl"	33.962126
"931610"	575.716113	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-H+Cl"	33.962126
"267979"	2269.909602	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+Cl"	34.969402
"665502"	3387.379702	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+Cl"	34.969402
"1278998"	1152.439502	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Cl"	34.969402
"21554"	2271.888806	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M-2H+K"	36.948606
"456744"	3389.358906	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M-2H+K"	36.948606
"834550"	1154.418706	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-2H+K"	36.948606
"1555636"	1154.418706	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+K-2H"	36.948606
"954311"	1162.468294	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-H+HCOOH"	44.998194
"371795"	2279.938401	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+HCOOH-H"	44.998201
"353490"	2293.954051	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+Hac-H"	59.013851
"1501231"	1176.483951	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Hac-H"	59.013851
"959293"	1184.450251	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-H+NaCOOH"	66.980151
"114764"	1152.439502	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+2Cl"	69.938804
"553959"	1711.174552	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+2Cl"	69.938804
"1029322"	593.704452	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2Cl"	69.938804
"1246713"	1196.388985	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Br"	78.918885
"1316817"	1198.444972	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Cl+HCOOH"	80.974872
"1326659"	1220.426929	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Cl+NaCOOH"	102.956829
"922090"	1230.455686	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M-H+CF3COOH"	112.985586
"1291143"	1266.432364	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Cl+CF3COOH"	148.962264
"1369306"	1082.457424	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H-2H2O"	-35.012676
"1384617"	1100.4674	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H-H2O"	-17.0027
"287582"	2235.947476	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+H"	1.007276
"681098"	3353.417576	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+H"	1.007276
"1351980"	1118.477376	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H"	1.007276
"133618"	1118.477376	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+2H"	2.014552
"572083"	1677.212426	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+2H"	2.014552
"1041611"	559.742326	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2H"	2.014552
"215345"	745.987342666667	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+3H"	3.021828
"653813"	1118.477376	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+3H"	3.021828
"1169750"	373.497309333333	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+3H"	3.021828
"430835"	2252.974023	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+NH4"	18.033823
"795114"	3370.444123	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+NH4"	18.033823
"1688163"	1135.503923	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+NH4"	18.033823
"333157"	1126.9906495	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+H+NH4"	19.041099
"723753"	1685.7256995	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+H+NH4"	19.041099
"1480498"	568.2555995	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H+NH4"	19.041099
"395898"	2257.929418	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+Na"	22.989218
"757988"	3375.399518	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+Na"	22.989218
"1604262"	1140.459318	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Na"	22.989218
"321596"	1129.468347	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+H+Na"	23.996494
"715110"	1688.203397	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+H+Na"	23.996494
"1470023"	570.733297	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H+Na"	23.996494
"1057800"	380.824623333333	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2H+Na"	25.00377
"1260572"	1150.503586	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+CH3OH+H"	33.033486
"382426"	2273.903358	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+K"	38.963158
"745612"	3391.373458	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+K"	38.963158
"1553500"	1156.433258	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+K"	38.963158
"307030"	1137.455317	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+H+K"	39.970434
"697263"	1696.190367	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+H+K"	39.970434
"1451082"	578.720267	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H+K"	39.970434
"242965"	2276.974026	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+ACN+H"	42.033826
"1213489"	1159.503926	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+ACN+H"	42.033826
"1196278"	580.255601	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+ACN+2H"	43.041102
"193519"	2279.91136	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+2Na-H"	44.97116
"635263"	3397.38146	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+2Na-H"	44.97116
"1138780"	1162.44126	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2Na-H"	44.97116
"188155"	1140.459318	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+2Na"	45.978436
"625645"	1699.194368	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+2Na"	45.978436
"1130125"	581.724268	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2Na"	45.978436
"1406481"	388.151937333333	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H+2Na"	46.985712
"1440783"	1164.482846	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H+HCOOH"	47.012746
"222456"	1145.49234	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+3H2O+2H"	56.04448
"1514168"	1178.53489	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+IsoProp+H"	61.06479
"419328"	1148.446288	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+Na+K"	61.952376
"782510"	1707.181338	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+Na+K"	61.952376
"1677749"	589.711238	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Na+K"	61.952376
"263175"	2298.955968	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+ACN+Na"	64.015768
"1238069"	1181.485868	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+ACN+Na"	64.015768
"1723680"	1181.509393	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+NH4+HCOOH"	64.039293
"1186846"	395.479251333333	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+3Na"	68.967654
"1656736"	1186.464788	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Na+HCOOH"	68.994688
"165783"	2311.85924	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+2K-H"	76.91904
"603155"	3429.32934	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+2K-H"	76.91904
"1089853"	1194.38914	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2K-H"	76.91904
"148858"	1156.433258	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"2M+2K"	77.926316
"584050"	1715.168308	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"3M+2K"	77.926316
"1074029"	597.698208	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2K"	77.926316
"1107236"	1196.403692	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2K+H"	78.933592
"1344720"	1196.491307	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+DMSO+H"	79.021207
"1011063"	1200.530476	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2ACN+H"	83.060376
"1537945"	1201.524108	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+IsoProp+Na+H"	84.054008
"1003177"	600.768876	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+2ACN+2H"	84.067652
"1602056"	1202.438728	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+K+HCOOH"	84.968628
"1427471"	1232.470238	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+H+CF3COOH"	115.000138
"1162378"	621.282151	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+3ACN+2H"	125.094202
"1712294"	1249.496785	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+NH4+CF3COOH"	132.026685
"1648916"	1254.45218	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+Na+CF3COOH"	136.98208
"1584441"	1270.42612	"C16529"	"Tetracosanoyl-CoA;Lignoceroyl-CoA"	"C45H82N7O17P3S"	"1117.4701"	"M+K+CF3COOH"	152.95602
"804965"	1059.3918	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M"	0
"975944"	1040.37341	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H2O-H"	-19.01839
"71115"	705.253924	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-3H"	-3.021828
"512862"	1058.384524	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-3H"	-3.021828
"881549"	352.123324	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-3H"	-3.021828
"853"	1058.384524	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H"	-2.014552
"441140"	1588.080424	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H"	-2.014552
"819667"	528.688624	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H"	-2.014552
"90605"	2117.776324	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-H"	-1.007276
"528342"	3177.168124	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-H"	-1.007276
"898853"	1058.384524	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H"	-1.007276
"48488"	2134.802871	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H+NH4"	16.019271
"490234"	3194.194671	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H+NH4"	16.019271
"865852"	1075.411071	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H+NH4"	16.019271
"33753"	2139.758266	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H+Na"	20.974666
"472585"	3199.150066	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H+Na"	20.974666
"848930"	1080.366466	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H+Na"	20.974666
"1623934"	1080.366466	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na-2H"	20.974666
"103745"	1076.372863	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-H+Cl"	33.962126
"537842"	1606.068763	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-H+Cl"	33.962126
"934636"	546.676963	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+Cl"	33.962126
"271006"	2153.753002	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Cl"	34.969402
"664153"	3213.144802	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+Cl"	34.969402
"1277651"	1094.361202	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl"	34.969402
"22758"	2155.732206	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H+K"	36.948606
"457337"	3215.124006	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H+K"	36.948606
"834294"	1096.340406	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H+K"	36.948606
"1556685"	1096.340406	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K-2H"	36.948606
"954055"	1104.389994	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+HCOOH"	44.998194
"370812"	2163.781801	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+HCOOH-H"	44.998201
"353600"	2177.797451	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Hac-H"	59.013851
"1499154"	1118.405651	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Hac-H"	59.013851
"960133"	1126.371951	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+NaCOOH"	66.980151
"114510"	1094.361202	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2Cl"	69.938804
"554069"	1624.057102	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2Cl"	69.938804
"1033807"	564.665302	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2Cl"	69.938804
"1246823"	1138.310685	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Br"	78.918885
"1313644"	1140.366672	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl+HCOOH"	80.974872
"1330049"	1162.348629	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl+NaCOOH"	102.956829
"922200"	1172.377386	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+CF3COOH"	112.985586
"1291253"	1208.354064	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl+CF3COOH"	148.962264
"1369416"	1024.379124	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H-2H2O"	-35.012676
"1391286"	1042.3891	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H-H2O"	-17.0027
"288785"	2119.790876	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H"	1.007276
"676102"	3179.182676	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H"	1.007276
"1355372"	1060.399076	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H"	1.007276
"130448"	1060.399076	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2H"	2.014552
"567821"	1590.094976	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2H"	2.014552
"1039900"	530.703176	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2H"	2.014552
"213268"	707.268476	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+3H"	3.021828
"653923"	1060.399076	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+3H"	3.021828
"1172047"	354.137876	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+3H"	3.021828
"435319"	2136.817423	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+NH4"	18.033823
"790849"	3196.209223	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+NH4"	18.033823
"1689367"	1077.425623	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+NH4"	18.033823
"331444"	1068.9123495	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H+NH4"	19.041099
"724596"	1598.6082495	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H+NH4"	19.041099
"1480242"	539.2164495	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+NH4"	19.041099
"396008"	2141.772818	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Na"	22.989218
"758098"	3201.164618	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+Na"	22.989218
"1605465"	1082.381018	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na"	22.989218
"322799"	1071.390047	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H+Na"	23.996494
"714127"	1601.085947	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H+Na"	23.996494
"1464667"	541.694147	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+Na"	23.996494
"1056817"	361.46519	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2H+Na"	25.00377
"1258860"	1092.425286	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+CH3OH+H"	33.033486
"379254"	2157.746758	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+K"	38.963158
"742439"	3217.138558	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+K"	38.963158
"1550694"	1098.354958	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K"	38.963158
"303860"	1079.377017	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H+K"	39.970434
"697373"	1609.072917	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H+K"	39.970434
"1451193"	549.681117	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+K"	39.970434
"241981"	2160.817426	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+ACN+H"	42.033826
"1213599"	1101.425626	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+ACN+H"	42.033826
"1197116"	551.216451	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+ACN+2H"	43.041102
"195815"	2163.75476	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2Na-H"	44.97116
"634647"	3223.14656	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2Na-H"	44.97116
"1137797"	1104.36296	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2Na-H"	44.97116
"187658"	1082.381018	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2Na"	45.978436
"625755"	1612.076918	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2Na"	45.978436
"1128533"	552.685118	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2Na"	45.978436
"1405497"	368.792504	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+2Na"	46.985712
"1437613"	1106.404546	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+HCOOH"	47.012746
"222566"	1087.41404	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+3H2O+2H"	56.04448
"1513185"	1120.45659	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+IsoProp+H"	61.06479
"419073"	1090.367988	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Na+K"	61.952376
"778244"	1620.063888	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+Na+K"	61.952376
"1673484"	560.672088	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na+K"	61.952376
"258906"	2182.799368	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+ACN+Na"	64.015768
"1230885"	1123.407568	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+ACN+Na"	64.015768
"1721965"	1123.431093	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+NH4+HCOOH"	64.039293
"1186956"	376.119818	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+3Na"	68.967654
"1657940"	1128.386488	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na+HCOOH"	68.994688
"164798"	2195.70264	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2K-H"	76.91904
"602169"	3255.09444	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2K-H"	76.91904
"1088867"	1136.31084	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2K-H"	76.91904
"148604"	1098.354958	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2K"	77.926316
"587441"	1628.050858	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2K"	77.926316
"1074867"	568.659058	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2K"	77.926316
"1107345"	1138.325392	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2K+H"	78.933592
"1343736"	1138.413007	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+DMSO+H"	79.021207
"1013358"	1142.452176	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2ACN+H"	83.060376
"1538055"	1143.445808	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+IsoProp+Na+H"	84.054008
"1003408"	571.729726	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2ACN+2H"	84.067652
"1602166"	1144.360428	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K+HCOOH"	84.968628
"1426852"	1174.391938	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+CF3COOH"	115.000138
"1162572"	592.243001	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+3ACN+2H"	125.094202
"1712160"	1191.418485	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+NH4+CF3COOH"	132.026685
"1649147"	1196.37388	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na+CF3COOH"	136.98208
"1584551"	1212.34782	"C16530"	"Icosenoyl-CoA;Eicosenoyl-CoA;(11Z)-Icosenoyl-CoA;(11Z)-Eicosenoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K+CF3COOH"	152.95602
"805075"	1087.4231	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M"	0
"975932"	1068.40471	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-H2O-H"	-19.01839
"71225"	723.941457333333	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M-3H"	-3.021828
"505317"	1086.415824	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M-3H"	-3.021828
"883118"	361.467090666667	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-3H"	-3.021828
"841"	1086.415824	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M-2H"	-2.014552
"441492"	1630.127374	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M-2H"	-2.014552
"819415"	542.704274	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-2H"	-2.014552
"91079"	2173.838924	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M-H"	-1.007276
"528452"	3261.262024	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M-H"	-1.007276
"900786"	1086.415824	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-H"	-1.007276
"48474"	2190.865471	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M-2H+NH4"	16.019271
"490344"	3278.288571	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M-2H+NH4"	16.019271
"870336"	1103.442371	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-2H+NH4"	16.019271
"37144"	2195.820866	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M-2H+Na"	20.974666
"476705"	3283.243966	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M-2H+Na"	20.974666
"853778"	1108.397766	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-2H+Na"	20.974666
"1622944"	1108.397766	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Na-2H"	20.974666
"107135"	1104.404163	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M-H+Cl"	33.962126
"536857"	1648.115713	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M-H+Cl"	33.962126
"934746"	560.692613	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-H+Cl"	33.962126
"270023"	2209.815602	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+Cl"	34.969402
"665723"	3297.238702	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+Cl"	34.969402
"1281407"	1122.392502	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Cl"	34.969402
"20682"	2211.794806	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M-2H+K"	36.948606
"456680"	3299.217906	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M-2H+K"	36.948606
"838050"	1124.371706	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-2H+K"	36.948606
"1556189"	1124.371706	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+K-2H"	36.948606
"952707"	1132.421294	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-H+HCOOH"	44.998194
"370922"	2219.844401	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+HCOOH-H"	44.998201
"353710"	2233.860051	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+Hac-H"	59.013851
"1501450"	1146.436951	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Hac-H"	59.013851
"963523"	1154.403251	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-H+NaCOOH"	66.980151
"116807"	1122.392502	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+2Cl"	69.938804
"556366"	1666.104052	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+2Cl"	69.938804
"1030638"	578.680952	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2Cl"	69.938804
"1250213"	1166.341985	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Br"	78.918885
"1318129"	1168.397972	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Cl+HCOOH"	80.974872
"1330159"	1190.379929	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Cl+NaCOOH"	102.956829
"924497"	1200.408686	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M-H+CF3COOH"	112.985586
"1296830"	1236.385364	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Cl+CF3COOH"	148.962264
"1372806"	1052.410424	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H-2H2O"	-35.012676
"1393583"	1070.4204	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H-H2O"	-17.0027
"289989"	2175.853476	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+H"	1.007276
"687877"	3263.276576	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+H"	1.007276
"1352078"	1088.430376	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H"	1.007276
"126669"	1088.430376	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+2H"	2.014552
"569023"	1632.141926	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+2H"	2.014552
"1041467"	544.718826	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2H"	2.014552
"210098"	725.956009333333	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+3H"	3.021828
"648200"	1088.430376	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+3H"	3.021828
"1171064"	363.481642666667	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+3H"	3.021828
"434337"	2192.880023	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+NH4"	18.033823
"790959"	3280.303123	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+NH4"	18.033823
"1691662"	1105.456923	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+NH4"	18.033823
"331677"	1096.9436495	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+H+NH4"	19.041099
"725070"	1640.6551995	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+H+NH4"	19.041099
"1481080"	553.2320995	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H+NH4"	19.041099
"395022"	2197.835418	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+Na"	22.989218
"755414"	3285.258518	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+Na"	22.989218
"1605939"	1110.412318	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Na"	22.989218
"320722"	1099.421347	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+H+Na"	23.996494
"714237"	1643.132897	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+H+Na"	23.996494
"1469151"	555.709797	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H+Na"	23.996494
"1055226"	370.808956666667	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2H+Na"	25.00377
"1261886"	1120.456586	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+CH3OH+H"	33.033486
"378635"	2213.809358	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+K"	38.963158
"740727"	3301.232458	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+K"	38.963158
"1547888"	1126.386258	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+K"	38.963158
"303970"	1107.408317	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+H+K"	39.970434
"698576"	1651.119867	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+H+K"	39.970434
"1455676"	563.696767	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H+K"	39.970434
"243184"	2216.880026	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+ACN+H"	42.033826
"1212980"	1129.456926	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+ACN+H"	42.033826
"1197227"	565.232101	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+ACN+2H"	43.041102
"195197"	2219.81736	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+2Na-H"	44.97116
"639494"	3307.24046	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+2Na-H"	44.97116
"1139000"	1132.39426	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2Na-H"	44.97116
"187160"	1110.412318	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+2Na"	45.978436
"627450"	1654.123868	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+2Na"	45.978436
"1128643"	566.700768	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2Na"	45.978436
"1404878"	378.136270666667	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H+2Na"	46.985712
"1438816"	1134.435846	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H+HCOOH"	47.012746
"226320"	1115.44534	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+3H2O+2H"	56.04448
"1514382"	1148.48789	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+IsoProp+H"	61.06479
"418820"	1118.399288	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+Na+K"	61.952376
"777259"	1662.110838	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+Na+K"	61.952376
"1673594"	574.687738	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Na+K"	61.952376
"259016"	2238.861968	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+ACN+Na"	64.015768
"1231724"	1151.438868	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+ACN+Na"	64.015768
"1722076"	1151.462393	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+NH4+HCOOH"	64.039293
"1185971"	385.463584666667	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+3Na"	68.967654
"1659142"	1156.417788	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Na+HCOOH"	68.994688
"163813"	2251.76524	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+2K-H"	76.91904
"600093"	3339.18834	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+2K-H"	76.91904
"1086426"	1164.34214	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2K-H"	76.91904
"146891"	1126.386258	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"2M+2K"	77.926316
"587186"	1670.097808	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"3M+2K"	77.926316
"1074977"	582.674708	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2K"	77.926316
"1104175"	1166.356692	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2K+H"	78.933592
"1342749"	1166.444307	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+DMSO+H"	79.021207
"1012370"	1170.483476	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2ACN+H"	83.060376
"1538532"	1171.477108	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+IsoProp+Na+H"	84.054008
"1001332"	585.745376	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+2ACN+2H"	84.067652
"1602401"	1172.391728	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+K+HCOOH"	84.968628
"1429149"	1202.423238	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+H+CF3COOH"	115.000138
"1162477"	606.258651	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+3ACN+2H"	125.094202
"1712270"	1219.449785	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+NH4+CF3COOH"	132.026685
"1649704"	1224.40518	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+Na+CF3COOH"	136.98208
"1584661"	1240.37912	"C16531"	"Docosenoyl-CoA;(13Z)-Docosenoyl-CoA"	"C43H76N7O17P3S"	"1087.4231"	"M+K+CF3COOH"	152.95602
"805185"	1115.4544	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M"	0
"975800"	1096.43601	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-H2O-H"	-19.01839
"71335"	742.628990666667	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M-3H"	-3.021828
"507614"	1114.447124	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M-3H"	-3.021828
"884322"	370.810857333333	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-3H"	-3.021828
"5083"	1114.447124	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M-2H"	-2.014552
"444642"	1672.174324	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M-2H"	-2.014552
"820255"	556.719924	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-2H"	-2.014552
"91189"	2229.901524	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M-H"	-1.007276
"528562"	3345.355924	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M-H"	-1.007276
"906363"	1114.447124	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-H"	-1.007276
"50896"	2246.928071	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M-2H+NH4"	16.019271
"494829"	3362.382471	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M-2H+NH4"	16.019271
"865462"	1131.473671	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-2H+NH4"	16.019271
"37254"	2251.883466	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M-2H+Na"	20.974666
"480095"	3367.337866	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M-2H+Na"	20.974666
"860082"	1136.429066	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-2H+Na"	20.974666
"1629616"	1136.429066	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Na-2H"	20.974666
"107245"	1132.435463	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M-H+Cl"	33.962126
"541343"	1690.162663	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M-H+Cl"	33.962126
"933764"	574.708263	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-H+Cl"	33.962126
"271226"	2265.878202	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+Cl"	34.969402
"669114"	3381.332602	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+Cl"	34.969402
"1282610"	1150.423802	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Cl"	34.969402
"24072"	2267.857406	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M-2H+K"	36.948606
"457440"	3383.311806	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M-2H+K"	36.948606
"835974"	1152.403006	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-2H+K"	36.948606
"1558366"	1152.403006	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+K-2H"	36.948606
"951720"	1160.452594	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-H+HCOOH"	44.998194
"366653"	2275.907001	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+HCOOH-H"	44.998201
"352726"	2289.922651	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+Hac-H"	59.013851
"1501560"	1174.468251	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Hac-H"	59.013851
"963633"	1182.434551	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-H+NaCOOH"	66.980151
"114730"	1150.423802	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+2Cl"	69.938804
"555382"	1708.151002	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+2Cl"	69.938804
"1030748"	592.696602	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2Cl"	69.938804
"1252511"	1194.373285	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Br"	78.918885
"1317874"	1196.429272	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Cl+HCOOH"	80.974872
"1330269"	1218.411229	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Cl+NaCOOH"	102.956829
"925336"	1228.439986	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M-H+CF3COOH"	112.985586
"1302043"	1264.416664	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Cl+CF3COOH"	148.962264
"1377290"	1080.441724	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H-2H2O"	-35.012676
"1391506"	1098.4517	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H-H2O"	-17.0027
"287912"	2231.916076	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+H"	1.007276
"685800"	3347.370476	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+H"	1.007276
"1353403"	1116.461676	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H"	1.007276
"131398"	1116.461676	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+2H"	2.014552
"570226"	1674.188876	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+2H"	2.014552
"1042306"	558.734476	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2H"	2.014552
"209843"	744.643542666667	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+3H"	3.021828
"651956"	1116.461676	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+3H"	3.021828
"1174091"	372.825409333333	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+3H"	3.021828
"438095"	2248.942623	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+NH4"	18.033823
"795443"	3364.397023	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+NH4"	18.033823
"1693963"	1133.488223	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+NH4"	18.033823
"333126"	1124.9749495	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+H+NH4"	19.041099
"725179"	1682.7021495	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+H+NH4"	19.041099
"1480459"	567.2477495	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H+NH4"	19.041099
"396230"	2253.898018	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+Na"	22.989218
"757227"	3369.352418	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+Na"	22.989218
"1605320"	1138.443618	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Na"	22.989218
"320832"	1127.452647	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+H+Na"	23.996494
"714347"	1685.179847	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+H+Na"	23.996494
"1468168"	569.725447	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H+Na"	23.996494
"1057038"	380.152723333333	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2H+Na"	25.00377
"1260903"	1148.487886	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+CH3OH+H"	33.033486
"377408"	2269.871958	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+K"	38.963158
"739744"	3385.326358	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+K"	38.963158
"1547998"	1154.417558	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+K"	38.963158
"307360"	1135.439617	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+H+K"	39.970434
"699780"	1693.166817	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+H+K"	39.970434
"1455786"	577.712417	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H+K"	39.970434
"245482"	2272.942626	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+ACN+H"	42.033826
"1213819"	1157.488226	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+ACN+H"	42.033826
"1199886"	579.247751	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+ACN+2H"	43.041102
"195672"	2275.87996	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+2Na-H"	44.97116
"636689"	3391.33436	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+2Na-H"	44.97116
"1136923"	1160.42556	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2Na-H"	44.97116
"187635"	1138.443618	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+2Na"	45.978436
"627802"	1696.170818	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+2Na"	45.978436
"1130213"	580.716418	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2Na"	45.978436
"1411917"	387.480037333333	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H+2Na"	46.985712
"1441113"	1162.467146	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H+HCOOH"	47.012746
"228617"	1143.47664	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+3H2O+2H"	56.04448
"1516678"	1176.51919	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+IsoProp+H"	61.06479
"415286"	1146.430588	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+Na+K"	61.952376
"778465"	1704.157788	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+Na+K"	61.952376
"1671152"	588.703388	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Na+K"	61.952376
"256939"	2294.924568	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+ACN+Na"	64.015768
"1232926"	1179.470168	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+ACN+Na"	64.015768
"1718538"	1179.493693	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+NH4+HCOOH"	64.039293
"1186079"	394.807351333333	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+3Na"	68.967654
"1655969"	1184.449088	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Na+HCOOH"	68.994688
"159914"	2307.82784	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+2K-H"	76.91904
"599473"	3423.28224	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+2K-H"	76.91904
"1087627"	1192.37344	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2K-H"	76.91904
"143720"	1154.417558	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"2M+2K"	77.926316
"589844"	1712.144758	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"3M+2K"	77.926316
"1073263"	596.690358	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2K"	77.926316
"1106471"	1194.387992	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2K+H"	78.933592
"1342859"	1194.475607	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+DMSO+H"	79.021207
"1011387"	1198.514776	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2ACN+H"	83.060376
"1539255"	1199.508408	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+IsoProp+Na+H"	84.054008
"1005541"	599.761026	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+2ACN+2H"	84.067652
"1602633"	1200.423028	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+K+HCOOH"	84.968628
"1429672"	1230.454538	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+H+CF3COOH"	115.000138
"1161983"	620.274301	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+3ACN+2H"	125.094202
"1712549"	1247.481085	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+NH4+CF3COOH"	132.026685
"1649847"	1252.43648	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+Na+CF3COOH"	136.98208
"1584771"	1268.41042	"C16532"	"Tetracosenoyl-CoA;Nervonoyl-CoA;(15Z)-Tetracosenoyl-CoA"	"C45H80N7O17P3S"	"1115.4544"	"M+K+CF3COOH"	152.95602
"805295"	336.3028	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M"	0
"977733"	317.28441	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-H2O-H"	-19.01839
"70352"	223.194590666667	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M-3H"	-3.021828
"507724"	335.295524	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M-3H"	-3.021828
"882243"	111.093657333333	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-3H"	-3.021828
"5193"	335.295524	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M-2H"	-2.014552
"445846"	503.446924	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M-2H"	-2.014552
"820365"	167.144124	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-2H"	-2.014552
"90206"	671.598324	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M-H"	-1.007276
"528672"	1007.901124	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M-H"	-1.007276
"906473"	335.295524	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-H"	-1.007276
"52100"	688.624871	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M-2H+NH4"	16.019271
"494939"	1024.927671	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M-2H+NH4"	16.019271
"866544"	352.322071	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-2H+NH4"	16.019271
"38458"	693.580266	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M-2H+Na"	20.974666
"479112"	1029.883066	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M-2H+Na"	20.974666
"860192"	357.277466	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-2H+Na"	20.974666
"1628633"	357.277466	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Na-2H"	20.974666
"107355"	353.283863	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M-H+Cl"	33.962126
"541453"	521.435263	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M-H+Cl"	33.962126
"933874"	185.132463	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-H+Cl"	33.962126
"273523"	707.575002	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+Cl"	34.969402
"667037"	1043.877802	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+Cl"	34.969402
"1281626"	371.272202	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Cl"	34.969402
"25275"	709.554206	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M-2H+K"	36.948606
"458640"	1045.857006	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M-2H+K"	36.948606
"836084"	373.251406	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-2H+K"	36.948606
"1558475"	373.251406	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+K-2H"	36.948606
"946362"	381.300994	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-H+HCOOH"	44.998194
"365670"	717.603801	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+HCOOH-H"	44.998201
"346997"	731.619451	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+Hac-H"	59.013851
"1495106"	395.316651	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Hac-H"	59.013851
"962649"	403.282951	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-H+NaCOOH"	66.980151
"114840"	371.272202	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+2Cl"	69.938804
"556586"	539.423602	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+2Cl"	69.938804
"1031951"	203.120802	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2Cl"	69.938804
"1252622"	415.221685	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Br"	78.918885
"1317255"	417.277672	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Cl+HCOOH"	80.974872
"1330379"	439.259629	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Cl+NaCOOH"	102.956829
"922166"	449.288386	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M-H+CF3COOH"	112.985586
"1302153"	485.265064	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Cl+CF3COOH"	148.962264
"1377400"	301.290124	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H-2H2O"	-35.012676
"1391616"	319.3001	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H-H2O"	-17.0027
"290209"	673.612876	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+H"	1.007276
"685910"	1009.915676	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+H"	1.007276
"1353148"	337.310076	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H"	1.007276
"131873"	337.310076	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+2H"	2.014552
"570702"	505.461476	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+2H"	2.014552
"1042781"	169.158676	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2H"	2.014552
"212506"	225.209142666667	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+3H"	3.021828
"656440"	337.310076	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+3H"	3.021828
"1175659"	113.108209333333	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+3H"	3.021828
"438083"	690.639423	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+NH4"	18.033823
"792274"	1026.942223	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+NH4"	18.033823
"1691886"	354.336623	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+NH4"	18.033823
"332871"	345.8233495	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+H+NH4"	19.041099
"727113"	513.9747495	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+H+NH4"	19.041099
"1479841"	177.6719495	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H+NH4"	19.041099
"395245"	695.594818	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+Na"	22.989218
"754431"	1031.897618	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+Na"	22.989218
"1604699"	359.292018	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Na"	22.989218
"319849"	348.301047	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+H+Na"	23.996494
"713364"	516.452447	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+H+Na"	23.996494
"1468278"	180.149647	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H+Na"	23.996494
"1056055"	120.435523333333	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2H+Na"	25.00377
"1258217"	369.336286	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+CH3OH+H"	33.033486
"378369"	711.568758	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+K"	38.963158
"739855"	1047.871558	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+K"	38.963158
"1548108"	375.265958	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+K"	38.963158
"307470"	356.288017	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+H+K"	39.970434
"703171"	524.439417	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+H+K"	39.970434
"1459179"	188.136617	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H+K"	39.970434
"244499"	714.639426	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+ACN+H"	42.033826
"1217208"	378.336626	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+ACN+H"	42.033826
"1199997"	189.671951	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+ACN+2H"	43.041102
"196149"	717.57676	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+2Na-H"	44.97116
"635344"	1053.87956	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+2Na-H"	44.97116
"1135940"	381.27396	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2Na-H"	44.97116
"187501"	359.292018	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+2Na"	45.978436
"626815"	527.443418	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+2Na"	45.978436
"1130201"	191.140618	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2Na"	45.978436
"1413119"	127.762837333333	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H+2Na"	46.985712
"1441223"	383.315546	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H+HCOOH"	47.012746
"226540"	364.32504	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+3H2O+2H"	56.04448
"1514601"	397.36759	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+IsoProp+H"	61.06479
"416489"	367.278988	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+Na+K"	61.952376
"777482"	535.430388	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+Na+K"	61.952376
"1673814"	199.127588	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Na+K"	61.952376
"255227"	736.621368	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+ACN+Na"	64.015768
"1230850"	400.318568	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+ACN+Na"	64.015768
"1719741"	400.342093	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+NH4+HCOOH"	64.039293
"1186917"	135.090151333333	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+3Na"	68.967654
"1651704"	405.297488	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Na+HCOOH"	68.994688
"159660"	749.52464	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+2K-H"	76.91904
"599218"	1085.82744	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+2K-H"	76.91904
"1085916"	413.22184	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2K-H"	76.91904
"143830"	375.265958	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"2M+2K"	77.926316
"589954"	543.417358	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"3M+2K"	77.926316
"1073373"	207.114558	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2K"	77.926316
"1106582"	415.236392	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2K+H"	78.933592
"1341876"	415.324007	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+DMSO+H"	79.021207
"1010404"	419.363176	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2ACN+H"	83.060376
"1539368"	420.356808	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+IsoProp+Na+H"	84.054008
"1005326"	210.185226	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+2ACN+2H"	84.067652
"1602014"	421.271428	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+K+HCOOH"	84.968628
"1429575"	451.302938	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+H+CF3COOH"	115.000138
"1162580"	230.698501	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+3ACN+2H"	125.094202
"1712450"	468.329485	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+NH4+CF3COOH"	132.026685
"1649233"	473.28488	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+Na+CF3COOH"	136.98208
"1584881"	489.25882	"C16533"	"1316-Docosadienoic acid;(13Z16Z)-Docosa-1316-dienoic acid"	"C22H40O2"	"336.3028"	"M+K+CF3COOH"	152.95602
"805405"	334.2872	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M"	0
"977843"	315.26881	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-H2O-H"	-19.01839
"71555"	221.850857333333	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M-3H"	-3.021828
"507834"	333.279924	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M-3H"	-3.021828
"882353"	110.421790666667	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-3H"	-3.021828
"10770"	333.279924	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M-2H"	-2.014552
"448143"	500.423524	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M-2H"	-2.014552
"820475"	166.136324	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-2H"	-2.014552
"88129"	667.567124	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M-H"	-1.007276
"527689"	1001.854324	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M-H"	-1.007276
"903303"	333.279924	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-H"	-1.007276
"53303"	684.593671	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M-2H+NH4"	16.019271
"495049"	1018.880871	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M-2H+NH4"	16.019271
"866291"	350.306471	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-2H+NH4"	16.019271
"35651"	689.549066	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M-2H+Na"	20.974666
"479221"	1023.836266	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M-2H+Na"	20.974666
"857021"	355.261866	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-2H+Na"	20.974666
"1630929"	355.261866	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Na-2H"	20.974666
"99810"	351.268263	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M-H+Cl"	33.962126
"535725"	518.411863	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M-H+Cl"	33.962126
"929605"	184.124663	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-H+Cl"	33.962126
"273632"	703.543802	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+Cl"	34.969402
"663864"	1037.831002	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+Cl"	34.969402
"1276631"	369.256602	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Cl"	34.969402
"17727"	705.523006	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M-2H+K"	36.948606
"458023"	1039.810206	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M-2H+K"	36.948606
"836194"	371.235806	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-2H+K"	36.948606
"1561865"	371.235806	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+K-2H"	36.948606
"948660"	379.285394	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-H+HCOOH"	44.998194
"367969"	713.572601	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+HCOOH-H"	44.998201
"348571"	727.588251	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+Hac-H"	59.013851
"1494123"	393.301051	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Hac-H"	59.013851
"962759"	401.267351	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-H+NaCOOH"	66.980151
"113856"	369.256602	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+2Cl"	69.938804
"554509"	536.400202	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+2Cl"	69.938804
"1024401"	202.113002	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2Cl"	69.938804
"1250543"	413.206085	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Br"	78.918885
"1318458"	415.262072	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Cl+HCOOH"	80.974872
"1330489"	437.244029	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Cl+NaCOOH"	102.956829
"922640"	447.272786	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M-H+CF3COOH"	112.985586
"1302992"	483.249464	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Cl+CF3COOH"	148.962264
"1377510"	299.274524	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H-2H2O"	-35.012676
"1397193"	317.2845	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H-H2O"	-17.0027
"293599"	669.581676	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+H"	1.007276
"688207"	1003.868876	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+H"	1.007276
"1353623"	335.294476	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H"	1.007276
"129067"	335.294476	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+2H"	2.014552
"569354"	502.438076	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+2H"	2.014552
"1043620"	168.150876	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2H"	2.014552
"215896"	223.865409333333	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+3H"	3.021828
"655456"	335.294476	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+3H"	3.021828
"1175410"	112.436342666667	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+3H"	3.021828
"436856"	686.608223	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+NH4"	18.033823
"793476"	1020.895423	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+NH4"	18.033823
"1689810"	352.321023	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+NH4"	18.033823
"333709"	343.8077495	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+H+NH4"	19.041099
"729046"	510.9513495	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+H+NH4"	19.041099
"1479226"	176.6641495	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H+NH4"	19.041099
"396081"	691.563618	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+Na"	22.989218
"754529"	1025.850818	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+Na"	22.989218
"1604083"	357.276418	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Na"	22.989218
"319959"	346.285447	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+H+Na"	23.996494
"707127"	513.429047	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+H+Na"	23.996494
"1462069"	179.141847	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H+Na"	23.996494
"1052917"	119.763656666667	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2H+Na"	25.00377
"1257964"	367.320686	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+CH3OH+H"	33.033486
"378601"	707.537558	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+K"	38.963158
"739601"	1041.824758	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+K"	38.963158
"1542020"	373.250358	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+K"	38.963158
"301020"	354.272417	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+H+K"	39.970434
"694534"	521.416017	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+H+K"	39.970434
"1454914"	187.128817	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H+K"	39.970434
"239505"	710.608226	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+ACN+H"	42.033826
"1214402"	376.321026	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+ACN+H"	42.033826
"1202292"	188.664151	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+ACN+2H"	43.041102
"197349"	713.54556	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+2Na-H"	44.97116
"634361"	1047.83276	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+2Na-H"	44.97116
"1136050"	379.25836	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2Na-H"	44.97116
"187612"	357.276418	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+2Na"	45.978436
"627294"	524.420018	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+2Na"	45.978436
"1130316"	190.132818	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2Na"	45.978436
"1410314"	127.090970666667	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H+2Na"	46.985712
"1440241"	381.299946	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H+HCOOH"	47.012746
"224463"	362.30944	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+3H2O+2H"	56.04448
"1519087"	395.35199	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+IsoProp+H"	61.06479
"416599"	365.263388	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+Na+K"	61.952376
"776500"	532.406988	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+Na+K"	61.952376
"1673925"	198.119788	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Na+K"	61.952376
"256066"	732.590168	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+ACN+Na"	64.015768
"1230234"	398.302968	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+ACN+Na"	64.015768
"1719854"	398.326493	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+NH4+HCOOH"	64.039293
"1184112"	134.418284666667	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+3Na"	68.967654
"1656191"	403.281888	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Na+HCOOH"	68.994688
"159769"	745.49344	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+2K-H"	76.91904
"598599"	1079.78064	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+2K-H"	76.91904
"1086391"	411.20624	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2K-H"	76.91904
"142847"	373.250358	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"2M+2K"	77.926316
"587877"	540.393958	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"3M+2K"	77.926316
"1072754"	206.106758	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2K"	77.926316
"1102317"	413.220792	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2K+H"	78.933592
"1341986"	413.308407	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+DMSO+H"	79.021207
"1012701"	417.347576	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2ACN+H"	83.060376
"1539720"	418.341208	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+IsoProp+Na+H"	84.054008
"1002755"	209.177426	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+2ACN+2H"	84.067652
"1602370"	419.255828	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+K+HCOOH"	84.968628
"1427293"	449.287338	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+H+CF3COOH"	115.000138
"1161958"	229.690701	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+3ACN+2H"	125.094202
"1711507"	466.313885	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+NH4+CF3COOH"	132.026685
"1649587"	471.26928	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+Na+CF3COOH"	136.98208
"1584991"	487.24322	"C16534"	"131619-Docosatrienoic acid;(13E16E19E)-Docosa-131619-trienoic acid"	"C22H38O2"	"334.2872"	"M+K+CF3COOH"	152.95602
"805515"	298.2872	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M"	0
"975765"	279.26881	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-H2O-H"	-19.01839
"70572"	197.850857333333	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M-3H"	-3.021828
"511224"	297.279924	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M-3H"	-3.021828
"882098"	98.4217906666667	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-3H"	-3.021828
"10880"	297.279924	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M-2H"	-2.014552
"448253"	446.423524	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M-2H"	-2.014552
"820585"	148.136324	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-2H"	-2.014552
"84955"	595.567124	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M-H"	-1.007276
"528892"	893.854324	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M-H"	-1.007276
"903413"	297.279924	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-H"	-1.007276
"52320"	612.593671	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M-2H+NH4"	16.019271
"492972"	910.880871	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M-2H+NH4"	16.019271
"865671"	314.306471	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-2H+NH4"	16.019271
"32966"	617.549066	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M-2H+Na"	20.974666
"479331"	915.836266	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M-2H+Na"	20.974666
"857131"	319.261866	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-2H+Na"	20.974666
"1631039"	319.261866	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Na-2H"	20.974666
"100284"	315.268263	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M-H+Cl"	33.962126
"536199"	464.411863	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M-H+Cl"	33.962126
"930080"	166.124663	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-H+Cl"	33.962126
"270462"	631.543802	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+Cl"	34.969402
"664338"	929.831002	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+Cl"	34.969402
"1277470"	333.256602	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Cl"	34.969402
"18929"	633.523006	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M-2H+K"	36.948606
"456797"	931.810206	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M-2H+K"	36.948606
"835211"	335.235806	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-2H+K"	36.948606
"1558695"	335.235806	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+K-2H"	36.948606
"949863"	343.285394	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-H+HCOOH"	44.998194
"365163"	641.572601	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+HCOOH-H"	44.998201
"347586"	655.588251	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+Hac-H"	59.013851
"1494233"	357.301051	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Hac-H"	59.013851
"962140"	365.267351	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-H+NaCOOH"	66.980151
"111165"	333.256602	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+2Cl"	69.938804
"552065"	482.400202	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+2Cl"	69.938804
"1025605"	184.113002	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2Cl"	69.938804
"1251744"	377.206085	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Br"	78.918885
"1316381"	379.262072	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Cl+HCOOH"	80.974872
"1332786"	401.244029	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Cl+NaCOOH"	102.956829
"919470"	411.272786	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M-H+CF3COOH"	112.985586
"1300550"	447.249464	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Cl+CF3COOH"	148.962264
"1378713"	263.274524	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H-2H2O"	-35.012676
"1396209"	281.2845	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H-H2O"	-17.0027
"292616"	597.581676	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+H"	1.007276
"686131"	895.868876	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+H"	1.007276
"1353731"	299.294476	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H"	1.007276
"129177"	299.294476	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+2H"	2.014552
"571651"	448.438076	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+2H"	2.014552
"1045917"	150.150876	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2H"	2.014552
"216006"	199.865409333333	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+3H"	3.021828
"657755"	299.294476	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+3H"	3.021828
"1176855"	100.436342666667	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+3H"	3.021828
"438060"	614.608223	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+NH4"	18.033823
"790303"	912.895423	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+NH4"	18.033823
"1689188"	316.321023	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+NH4"	18.033823
"333820"	307.8077495	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+H+NH4"	19.041099
"728427"	456.9513495	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+H+NH4"	19.041099
"1479701"	158.6641495	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H+NH4"	19.041099
"395463"	619.563618	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+Na"	22.989218
"754641"	917.850818	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+Na"	22.989218
"1603829"	321.276418	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Na"	22.989218
"317882"	310.285447	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+H+Na"	23.996494
"707547"	459.429047	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+H+Na"	23.996494
"1464124"	161.141847	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H+Na"	23.996494
"1054330"	107.763656666667	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2H+Na"	25.00377
"1259046"	331.320686	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+CH3OH+H"	33.033486
"378713"	635.537558	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+K"	38.963158
"740437"	933.824758	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+K"	38.963158
"1540664"	337.250358	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+K"	38.963158
"303313"	318.272417	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+H+K"	39.970434
"695735"	467.416017	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+H+K"	39.970434
"1455021"	169.128817	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H+K"	39.970434
"243623"	638.608226	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+ACN+H"	42.033826
"1214148"	340.321026	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+ACN+H"	42.033826
"1202401"	170.664151	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+ACN+2H"	43.041102
"195271"	641.54556	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+2Na-H"	44.97116
"638112"	939.83276	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+2Na-H"	44.97116
"1136160"	343.25836	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2Na-H"	44.97116
"187236"	321.276418	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+2Na"	45.978436
"628132"	470.420018	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+2Na"	45.978436
"1129696"	172.132818	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2Na"	45.978436
"1409329"	115.090970666667	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H+2Na"	46.985712
"1440351"	345.299946	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H+HCOOH"	47.012746
"232593"	326.30944	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+3H2O+2H"	56.04448
"1515916"	359.35199	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+IsoProp+H"	61.06479
"416704"	329.263388	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+Na+K"	61.952376
"777703"	478.406988	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+Na+K"	61.952376
"1671848"	180.119788	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Na+K"	61.952376
"256176"	660.590168	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+ACN+Na"	64.015768
"1230340"	362.302968	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+ACN+Na"	64.015768
"1719964"	362.326493	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+NH4+HCOOH"	64.039293
"1183128"	122.418284666667	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+3Na"	68.967654
"1656301"	367.281888	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Na+HCOOH"	68.994688
"159880"	673.49344	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+2K-H"	76.91904
"600165"	971.78064	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+2K-H"	76.91904
"1087228"	375.20624	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2K-H"	76.91904
"142957"	337.250358	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"2M+2K"	77.926316
"587987"	486.393958	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"3M+2K"	77.926316
"1073594"	188.106758	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2K"	77.926316
"1102427"	377.220792	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2K+H"	78.933592
"1341003"	377.308407	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+DMSO+H"	79.021207
"1010625"	381.347576	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2ACN+H"	83.060376
"1539623"	382.341208	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+IsoProp+Na+H"	84.054008
"1001771"	191.177426	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+2ACN+2H"	84.067652
"1602480"	383.255828	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+K+HCOOH"	84.968628
"1429830"	413.287338	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+H+CF3COOH"	115.000138
"1160974"	211.690701	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+3ACN+2H"	125.094202
"1712509"	430.313885	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+NH4+CF3COOH"	132.026685
"1649821"	435.26928	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+Na+CF3COOH"	136.98208
"1585101"	451.24322	"C16535"	"Nonadecanoic acid;Nonadecylic acid"	"C19H38O2"	"298.2872"	"M+K+CF3COOH"	152.95602
"805625"	268.2402	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M"	0
"975876"	249.22181	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-H2O-H"	-19.01839
"70682"	177.819524	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M-3H"	-3.021828
"508054"	267.232924	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M-3H"	-3.021828
"882573"	88.406124	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-3H"	-3.021828
"8803"	267.232924	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M-2H"	-2.014552
"448363"	401.353024	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M-2H"	-2.014552
"821788"	133.112824	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-2H"	-2.014552
"86158"	535.473124	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M-H"	-1.007276
"522442"	803.713324	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M-H"	-1.007276
"898056"	267.232924	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-H"	-1.007276
"52430"	552.499671	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M-2H+NH4"	16.019271
"489801"	820.739871	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M-2H+NH4"	16.019271
"865658"	284.259471	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-2H+NH4"	16.019271
"33318"	557.455066	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M-2H+Na"	20.974666
"476161"	825.695266	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M-2H+Na"	20.974666
"853961"	289.214866	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-2H+Na"	20.974666
"1630055"	289.214866	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Na-2H"	20.974666
"100394"	285.221263	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M-H+Cl"	33.962126
"535581"	419.341363	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M-H+Cl"	33.962126
"931284"	151.101163	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-H+Cl"	33.962126
"270571"	571.449802	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+Cl"	34.969402
"662261"	839.690002	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+Cl"	34.969402
"1277580"	303.209602	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Cl"	34.969402
"19405"	573.429006	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M-2H+K"	36.948606
"456418"	841.669206	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M-2H+K"	36.948606
"835320"	305.188806	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-2H+K"	36.948606
"1558805"	305.188806	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+K-2H"	36.948606
"943410"	313.238394	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-H+HCOOH"	44.998194
"363809"	581.478601	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+HCOOH-H"	44.998201
"347692"	595.494251	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+Hac-H"	59.013851
"1495435"	327.254051	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Hac-H"	59.013851
"959210"	335.220351	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-H+NaCOOH"	66.980151
"111885"	303.209602	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+2Cl"	69.938804
"551810"	437.329702	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+2Cl"	69.938804
"1023528"	169.089502	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2Cl"	69.938804
"1247479"	347.159085	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Br"	78.918885
"1311024"	349.215072	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Cl+HCOOH"	80.974872
"1331800"	371.197029	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Cl+NaCOOH"	102.956829
"926504"	381.225786	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M-H+CF3COOH"	112.985586
"1299567"	417.202464	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Cl+CF3COOH"	148.962264
"1379917"	233.227524	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H-2H2O"	-35.012676
"1396319"	251.2375	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H-H2O"	-17.0027
"294912"	537.487676	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+H"	1.007276
"688061"	805.727876	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+H"	1.007276
"1352017"	269.247476	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H"	1.007276
"128191"	269.247476	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+2H"	2.014552
"567385"	403.367576	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+2H"	2.014552
"1042017"	135.127376	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2H"	2.014552
"213929"	179.834076	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+3H"	3.021828
"656771"	269.247476	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+3H"	3.021828
"1174897"	90.420676	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+3H"	3.021828
"433795"	554.514223	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+NH4"	18.033823
"792236"	822.754423	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+NH4"	18.033823
"1686749"	286.274023	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+NH4"	18.033823
"332837"	277.7607495	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+H+NH4"	19.041099
"726351"	411.8808495	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+H+NH4"	19.041099
"1481266"	143.6406495	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H+NH4"	19.041099
"394116"	559.469618	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+Na"	22.989218
"754993"	827.709818	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+Na"	22.989218
"1605033"	291.229418	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Na"	22.989218
"317992"	280.238447	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+H+Na"	23.996494
"708347"	414.358547	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+H+Na"	23.996494
"1465327"	146.118347	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H+Na"	23.996494
"1054198"	97.74799	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2H+Na"	25.00377
"1260249"	301.273686	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+CH3OH+H"	33.033486
"379916"	575.443558	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+K"	38.963158
"741641"	843.683758	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+K"	38.963158
"1540898"	307.203358	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+K"	38.963158
"303423"	288.225417	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+H+K"	39.970434
"696209"	422.345517	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+H+K"	39.970434
"1455131"	154.105317	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H+K"	39.970434
"244826"	578.514226	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+ACN+H"	42.033826
"1217533"	310.274026	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+ACN+H"	42.033826
"1199229"	155.640651	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+ACN+2H"	43.041102
"199755"	581.45156	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+2Na-H"	44.97116
"636034"	849.69176	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+2Na-H"	44.97116
"1136270"	313.21136	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2Na-H"	44.97116
"187589"	291.229418	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+2Na"	45.978436
"626050"	425.349518	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+2Na"	45.978436
"1129197"	157.109318	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2Na"	45.978436
"1409439"	105.075304	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H+2Na"	46.985712
"1440461"	315.252946	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H+HCOOH"	47.012746
"232338"	296.26244	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+3H2O+2H"	56.04448
"1516025"	329.30499	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+IsoProp+H"	61.06479
"420086"	299.216388	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+Na+K"	61.952376
"775619"	433.336488	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+Na+K"	61.952376
"1669771"	165.096288	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Na+K"	61.952376
"255193"	600.496168	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+ACN+Na"	64.015768
"1230449"	332.255968	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+ACN+Na"	64.015768
"1716794"	332.279493	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+NH4+HCOOH"	64.039293
"1183238"	112.402618	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+3Na"	68.967654
"1654225"	337.234888	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Na+HCOOH"	68.994688
"160352"	613.39944	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+2K-H"	76.91904
"599910"	881.63964	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+2K-H"	76.91904
"1090617"	345.15924	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2K-H"	76.91904
"143067"	307.203358	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"2M+2K"	77.926316
"585911"	441.323458	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"3M+2K"	77.926316
"1073704"	173.083258	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2K"	77.926316
"1101565"	347.173792	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2K+H"	78.933592
"1341113"	347.261407	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+DMSO+H"	79.021207
"1008546"	351.300576	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2ACN+H"	83.060376
"1539086"	352.294208	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+IsoProp+Na+H"	84.054008
"1001881"	176.153926	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+2ACN+2H"	84.067652
"1602340"	353.208828	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+K+HCOOH"	84.968628
"1429773"	383.240338	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+H+CF3COOH"	115.000138
"1161084"	196.667201	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+3ACN+2H"	125.094202
"1712619"	400.266885	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+NH4+CF3COOH"	132.026685
"1649812"	405.22228	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+Na+CF3COOH"	136.98208
"1585211"	421.19622	"C16536"	"9E-Heptadecenoic acid;(E)-Heptadec-9-enoic acid"	"C17H32O2"	"268.2402"	"M+K+CF3COOH"	152.95602
"809015"	242.2246	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M"	0
"980360"	223.20621	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-H2O-H"	-19.01839
"71885"	160.475790666667	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M-3H"	-3.021828
"509258"	241.217324	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M-3H"	-3.021828
"883776"	79.7342573333333	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-3H"	-3.021828
"8913"	241.217324	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H"	-2.014552
"448473"	362.329624	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H"	-2.014552
"822992"	120.105024	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-2H"	-2.014552
"85175"	483.441924	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M-H"	-1.007276
"522552"	725.666524	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M-H"	-1.007276
"897801"	241.217324	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-H"	-1.007276
"49381"	500.468471	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H+NH4"	16.019271
"491003"	742.693071	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H+NH4"	16.019271
"866619"	258.243871	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-2H+NH4"	16.019271
"32821"	505.423866	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H+Na"	20.974666
"472378"	747.648466	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H+Na"	20.974666
"854071"	263.199266	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-2H+Na"	20.974666
"1622510"	263.199266	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Na-2H"	20.974666
"100504"	259.205663	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M-H+Cl"	33.962126
"537147"	380.317963	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M-H+Cl"	33.962126
"931029"	138.093363	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-H+Cl"	33.962126
"270681"	519.418602	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+Cl"	34.969402
"665287"	761.643202	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+Cl"	34.969402
"1277690"	277.194002	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl"	34.969402
"17450"	521.397806	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H+K"	36.948606
"457622"	763.622406	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H+K"	36.948606
"834337"	279.173206	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-2H+K"	36.948606
"1561103"	279.173206	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+K-2H"	36.948606
"944003"	287.222794	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-H+HCOOH"	44.998194
"363190"	529.447401	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+HCOOH-H"	44.998201
"348894"	543.463051	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+Hac-H"	59.013851
"1493719"	301.238451	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Hac-H"	59.013851
"962722"	309.204751	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-H+NaCOOH"	66.980151
"113088"	277.194002	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+2Cl"	69.938804
"552648"	398.306302	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+2Cl"	69.938804
"1024366"	156.081702	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2Cl"	69.938804
"1245402"	321.143485	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Br"	78.918885
"1314410"	323.199472	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl+HCOOH"	80.974872
"1330812"	345.181429	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl+NaCOOH"	102.956829
"918591"	355.210186	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M-H+CF3COOH"	112.985586
"1299674"	391.186864	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl+CF3COOH"	148.962264
"1380389"	207.211924	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H-2H2O"	-35.012676
"1394970"	225.2219	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H-H2O"	-17.0027
"296478"	485.456476	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+H"	1.007276
"687440"	727.681076	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+H"	1.007276
"1362698"	243.231876	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H"	1.007276
"126838"	243.231876	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+2H"	2.014552
"568588"	364.344176	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+2H"	2.014552
"1042856"	122.119576	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2H"	2.014552
"211122"	162.490342666667	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+3H"	3.021828
"654693"	243.231876	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+3H"	3.021828
"1174643"	81.7488093333333	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+3H"	3.021828
"436092"	502.483023	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+NH4"	18.033823
"792714"	744.707623	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+NH4"	18.033823
"1692326"	260.258423	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+NH4"	18.033823
"333673"	251.7451495	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+H+NH4"	19.041099
"724998"	372.8574495	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+H+NH4"	19.041099
"1477973"	130.6328495	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H+NH4"	19.041099
"394101"	507.438418	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+Na"	22.989218
"755103"	749.663018	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+Na"	22.989218
"1602853"	265.213818	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Na"	22.989218
"315305"	254.222847	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+H+Na"	23.996494
"707154"	375.335147	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+H+Na"	23.996494
"1465437"	133.110547	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H+Na"	23.996494
"1053575"	89.0761233333333	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2H+Na"	25.00377
"1259627"	275.258086	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+CH3OH+H"	33.033486
"380390"	523.412358	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+K"	38.963158
"739561"	765.636958	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+K"	38.963158
"1540884"	281.187758	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+K"	38.963158
"299034"	262.209817	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+H+K"	39.970434
"692423"	383.322117	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+H+K"	39.970434
"1450867"	141.097517	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H+K"	39.970434
"238376"	526.483026	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+ACN+H"	42.033826
"1211448"	284.258426	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+ACN+H"	42.033826
"1197153"	142.632851	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+ACN+2H"	43.041102
"194398"	529.42036	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+2Na-H"	44.97116
"632136"	771.64496	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+2Na-H"	44.97116
"1136380"	287.19576	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2Na-H"	44.97116
"187574"	265.213818	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+2Na"	45.978436
"626888"	386.326118	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+2Na"	45.978436
"1129671"	144.101518	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2Na"	45.978436
"1409548"	96.4034373333333	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H+2Na"	46.985712
"1440571"	289.237346	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H+HCOOH"	47.012746
"230261"	270.24684	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+3H2O+2H"	56.04448
"1522698"	303.28939	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+IsoProp+H"	61.06479
"418009"	273.200788	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+Na+K"	61.952376
"774636"	394.313088	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+Na+K"	61.952376
"1673161"	152.088488	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Na+K"	61.952376
"255303"	548.464968	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+ACN+Na"	64.015768
"1232385"	306.240368	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+ACN+Na"	64.015768
"1719091"	306.263893	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+NH4+HCOOH"	64.039293
"1184441"	103.730751333333	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+3Na"	68.967654
"1656521"	311.219288	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Na+HCOOH"	68.994688
"157914"	561.36824	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+2K-H"	76.91904
"600385"	803.59284	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+2K-H"	76.91904
"1088541"	319.14364	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2K-H"	76.91904
"142447"	281.187758	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"2M+2K"	77.926316
"589301"	402.300058	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"3M+2K"	77.926316
"1072719"	160.075458	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2K"	77.926316
"1102647"	321.158192	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2K+H"	78.933592
"1340127"	321.245807	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+DMSO+H"	79.021207
"1007196"	325.284976	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2ACN+H"	83.060376
"1539642"	326.278608	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+IsoProp+Na+H"	84.054008
"1003085"	163.146126	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+2ACN+2H"	84.067652
"1601598"	327.193228	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+K+HCOOH"	84.968628
"1429569"	357.224738	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+H+CF3COOH"	115.000138
"1162167"	183.659401	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+3ACN+2H"	125.094202
"1712328"	374.251285	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+NH4+CF3COOH"	132.026685
"1649675"	379.20668	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+Na+CF3COOH"	136.98208
"1585321"	395.18062	"C16537"	"Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid"	"C15H30O2"	"242.2246"	"M+K+CF3COOH"	152.95602
"809125"	164.0685	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M"	0
"977189"	145.05011	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"75275"	108.371724	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"510461"	163.061224	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"884979"	53.682224	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"5743"	163.061224	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"448583"	245.095474	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"821643"	81.026974	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"85284"	327.129724	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"522662"	491.198224	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"900827"	163.061224	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"52650"	344.156271	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"491114"	508.224771	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"867823"	180.087771	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"35727"	349.111666	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"473342"	513.180166	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"857461"	185.043166	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1625900"	185.043166	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"96965"	181.049563	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"537625"	263.083813	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"932234"	99.015313	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"275165"	363.106402	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"665397"	527.174902	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1278164"	199.037902	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"17803"	365.085606	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"458461"	529.154106	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"835540"	201.017106	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1561213"	201.017106	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"948005"	209.066694	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"362694"	373.135201	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"350098"	387.150851	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1494438"	223.082351	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"962468"	231.048651	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"112105"	199.037902	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"552760"	281.072152	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1025935"	117.003652	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1248792"	242.987385	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1314520"	245.043372	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1330922"	267.025329	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"920887"	277.054086	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1300877"	313.030764	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1380132"	129.055824	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1395441"	147.0658	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"296222"	329.144276	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"689737"	493.212776	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1364994"	165.075776	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"128410"	165.075776	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"579634"	247.110026	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1051715"	83.041526	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"217429"	110.386276	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"654805"	165.075776	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1175116"	55.696776	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"438024"	346.170823	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"797197"	510.239323	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1694259"	182.102323	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"335242"	173.5890495	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"726569"	255.6232995	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1480393"	91.5547995	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"395064"	351.126218	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"755820"	515.194718	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1604158"	187.057718	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"318210"	176.066747	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"710633"	258.100997	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1466640"	94.032497	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1055512"	63.02409	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1262655"	197.101986	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"384511"	367.100158	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"741131"	531.168658	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1543187"	203.031658	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"303641"	184.053717	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"693511"	266.087967	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1456444"	102.019467	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"240672"	370.170826	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1214474"	206.102326	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1197262"	103.554801	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"194508"	373.10816	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"635162"	537.17666	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1135031"	209.03966	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"188047"	187.057718	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"624811"	269.091968	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1130511"	105.023468	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1413995"	70.351404	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1441774"	211.081246	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"227092"	192.09074	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1523538"	225.13329	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"418119"	195.044688	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"774017"	277.078938	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1672178"	113.010438	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"258696"	392.152768	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1233589"	228.084268	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1720293"	228.107793	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1186738"	77.678718	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1654443"	233.063188	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"159600"	405.05604	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"600252"	569.12454	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1088650"	240.98754	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"142431"	203.031658	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"590504"	285.065908	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1072829"	120.997408	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1102757"	243.002092	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1342424"	243.089707	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1008036"	247.128876	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1539180"	248.122508	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1003194"	124.068076	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1600615"	249.037128	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1427733"	279.068638	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1162033"	144.581351	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1711946"	296.095185	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1649664"	301.05058	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1585431"	317.02452	"C16538"	"15-Anhydro-D-mannitol"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"805955"	630.2329	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M"	0
"975113"	611.21451	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-H2O-H"	-19.01839
"73198"	419.147990666667	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M-3H"	-3.021828
"509478"	629.225624	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M-3H"	-3.021828
"879962"	209.070357333333	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-3H"	-3.021828
"868"	629.225624	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M-2H"	-2.014552
"441399"	944.342074	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M-2H"	-2.014552
"817742"	314.109174	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-2H"	-2.014552
"83208"	1259.458524	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M-H"	-1.007276
"529332"	1889.691424	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M-H"	-1.007276
"903853"	629.225624	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-H"	-1.007276
"51666"	1276.485071	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M-2H+NH4"	16.019271
"487577"	1906.717971	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M-2H+NH4"	16.019271
"864766"	646.252171	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-2H+NH4"	16.019271
"36930"	1281.440466	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M-2H+Na"	20.974666
"471830"	1911.673366	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M-2H+Na"	20.974666
"848546"	651.207566	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-2H+Na"	20.974666
"1618633"	651.207566	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Na-2H"	20.974666
"94406"	647.213963	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M-H+Cl"	33.962126
"538830"	962.330413	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M-H+Cl"	33.962126
"931250"	332.097513	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-H+Cl"	33.962126
"275275"	1295.435202	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+Cl"	34.969402
"665507"	1925.668102	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+Cl"	34.969402
"1276817"	665.202302	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Cl"	34.969402
"16210"	1297.414406	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M-2H+K"	36.948606
"458937"	1927.647306	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M-2H+K"	36.948606
"842210"	667.181506	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-2H+K"	36.948606
"1559136"	667.181506	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+K-2H"	36.948606
"946293"	675.231094	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-H+HCOOH"	44.998194
"364142"	1305.464001	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+HCOOH-H"	44.998201
"348023"	1319.479651	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+Hac-H"	59.013851
"1495035"	689.246751	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Hac-H"	59.013851
"959540"	697.213051	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-H+NaCOOH"	66.980151
"110127"	665.202302	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+2Cl"	69.938804
"550557"	980.318752	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+2Cl"	69.938804
"1026045"	350.085852	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2Cl"	69.938804
"1245622"	709.151785	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Br"	78.918885
"1314630"	711.207772	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Cl+HCOOH"	80.974872
"1331032"	733.189729	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Cl+NaCOOH"	102.956829
"919904"	743.218486	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M-H+CF3COOH"	112.985586
"1300987"	779.195164	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Cl+CF3COOH"	148.962264
"1376961"	595.220224	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H-2H2O"	-35.012676
"1388990"	613.2302	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H-H2O"	-17.0027
"293052"	1261.473076	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+H"	1.007276
"686567"	1891.705976	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+H"	1.007276
"1364010"	631.240176	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H"	1.007276
"129978"	631.240176	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+2H"	2.014552
"573183"	946.356626	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+2H"	2.014552
"1051461"	316.123726	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2H"	2.014552
"216446"	421.162542666667	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+3H"	3.021828
"653822"	631.240176	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+3H"	3.021828
"1174132"	211.084909333333	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+3H"	3.021828
"436310"	1278.499623	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+NH4"	18.033823
"794026"	1908.732523	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+NH4"	18.033823
"1692547"	648.266723	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+NH4"	18.033823
"337538"	639.7534495	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+H+NH4"	19.041099
"728866"	954.8698995	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+H+NH4"	19.041099
"1479409"	324.6369995	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H+NH4"	19.041099
"395903"	1283.455018	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+Na"	22.989218
"757996"	1913.687918	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+Na"	22.989218
"1606093"	653.222118	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Na"	22.989218
"318320"	642.231147	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+H+Na"	23.996494
"709650"	957.347597	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+H+Na"	23.996494
"1464563"	327.114697	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H+Na"	23.996494
"1054529"	218.412223333333	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2H+Na"	25.00377
"1260579"	663.266386	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+CH3OH+H"	33.033486
"382435"	1299.428958	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+K"	38.963158
"742336"	1929.661858	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+K"	38.963158
"1540133"	669.196058	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+K"	38.963158
"304847"	650.218117	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+H+K"	39.970434
"695444"	965.334567	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+H+K"	39.970434
"1454368"	335.101667	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H+K"	39.970434
"241877"	1302.499626	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+ACN+H"	42.033826
"1214585"	672.266726	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+ACN+H"	42.033826
"1195186"	336.637001	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+ACN+2H"	43.041102
"195712"	1305.43696	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+2Na-H"	44.97116
"634180"	1935.66986	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+2Na-H"	44.97116
"1134777"	675.20406	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2Na-H"	44.97116
"187793"	653.222118	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+2Na"	45.978436
"622734"	968.338568	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+2Na"	45.978436
"1129162"	338.105668	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2Na"	45.978436
"1411953"	225.739537333333	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H+2Na"	46.985712
"1437510"	677.245646	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H+HCOOH"	47.012746
"227200"	658.25514	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+3H2O+2H"	56.04448
"1519637"	691.29769	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+IsoProp+H"	61.06479
"416042"	661.209088	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+Na+K"	61.952376
"774856"	976.325538	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+Na+K"	61.952376
"1670465"	346.092638	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Na+K"	61.952376
"256619"	1324.481568	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+ACN+Na"	64.015768
"1231514"	694.248668	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+ACN+Na"	64.015768
"1719308"	694.272193	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+NH4+HCOOH"	64.039293
"1183568"	233.066851333333	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+3Na"	68.967654
"1653460"	699.227588	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Na+HCOOH"	68.994688
"159466"	1337.38484	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+2K-H"	76.91904
"598660"	1967.61774	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+2K-H"	76.91904
"1086574"	707.15194	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2K-H"	76.91904
"141933"	669.196058	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"2M+2K"	77.926316
"590614"	984.312508	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"3M+2K"	77.926316
"1072939"	354.079608	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2K"	77.926316
"1102138"	709.166492	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2K+H"	78.933592
"1341441"	709.254107	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+DMSO+H"	79.021207
"1007295"	713.293276	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2ACN+H"	83.060376
"1537831"	714.286908	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+IsoProp+Na+H"	84.054008
"1002211"	357.150276	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+2ACN+2H"	84.067652
"1599632"	715.201528	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+K+HCOOH"	84.968628
"1427843"	745.233038	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+H+CF3COOH"	115.000138
"1162390"	377.663551	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+3ACN+2H"	125.094202
"1712056"	762.259585	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+NH4+CF3COOH"	132.026685
"1649816"	767.21498	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+Na+CF3COOH"	136.98208
"1585541"	783.18892	"C16540"	"7(1)-Hydroxychlorophyllide a"	"C35H34MgN4O6"	"630.2329"	"M+K+CF3COOH"	152.95602
"806065"	628.2172	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M"	0
"975223"	609.19881	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-H2O-H"	-19.01839
"72215"	417.804190666667	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M-3H"	-3.021828
"509588"	627.209924	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M-3H"	-3.021828
"885201"	208.398457333333	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-3H"	-3.021828
"5960"	627.209924	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M-2H"	-2.014552
"444061"	941.318524	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M-2H"	-2.014552
"821133"	313.101324	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-2H"	-2.014552
"86598"	1255.427124	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M-H"	-1.007276
"529442"	1883.644324	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M-H"	-1.007276
"907243"	627.209924	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-H"	-1.007276
"52140"	1272.453671	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M-2H+NH4"	16.019271
"489145"	1900.670871	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M-2H+NH4"	16.019271
"865002"	644.236471	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-2H+NH4"	16.019271
"35947"	1277.409066	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M-2H+Na"	20.974666
"472223"	1905.626266	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M-2H+Na"	20.974666
"849660"	649.191866	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-2H+Na"	20.974666
"1619924"	649.191866	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Na-2H"	20.974666
"96089"	645.198263	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M-H+Cl"	33.962126
"537847"	959.306863	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M-H+Cl"	33.962126
"930267"	331.089663	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-H+Cl"	33.962126
"271012"	1291.403802	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+Cl"	34.969402
"664524"	1919.621002	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+Cl"	34.969402
"1276927"	663.186602	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Cl"	34.969402
"17296"	1293.383006	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M-2H+K"	36.948606
"459047"	1921.600206	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M-2H+K"	36.948606
"841227"	665.165806	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-2H+K"	36.948606
"1558153"	665.165806	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+K-2H"	36.948606
"944216"	673.215394	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-H+HCOOH"	44.998194
"363158"	1301.432601	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+HCOOH-H"	44.998201
"348132"	1315.448251	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+Hac-H"	59.013851
"1494416"	687.231051	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Hac-H"	59.013851
"962690"	695.197351	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-H+NaCOOH"	66.980151
"110379"	663.186602	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+2Cl"	69.938804
"550426"	977.295202	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+2Cl"	69.938804
"1023968"	349.078002	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2Cl"	69.938804
"1242452"	707.136085	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Br"	78.918885
"1311459"	709.192072	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Cl+HCOOH"	80.974872
"1327862"	731.174029	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Cl+NaCOOH"	102.956829
"920014"	741.202786	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M-H+CF3COOH"	112.985586
"1292348"	777.179464	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Cl+CF3COOH"	148.962264
"1377071"	593.204524	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H-2H2O"	-35.012676
"1389101"	611.2145	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H-H2O"	-17.0027
"290976"	1257.441676	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+H"	1.007276
"687771"	1885.658876	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+H"	1.007276
"1363026"	629.224476	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H"	1.007276
"129361"	629.224476	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+2H"	2.014552
"572199"	943.333076	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+2H"	2.014552
"1048656"	315.115876	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2H"	2.014552
"213278"	419.818742666667	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+3H"	3.021828
"656120"	629.224476	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+3H"	3.021828
"1173149"	210.413009333333	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+3H"	3.021828
"432046"	1274.468223	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+NH4"	18.033823
"796323"	1902.685423	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+NH4"	18.033823
"1693749"	646.251023	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+NH4"	18.033823
"334372"	637.7377495	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+H+NH4"	19.041099
"725698"	951.8463495	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+H+NH4"	19.041099
"1478790"	323.6291495	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H+NH4"	19.041099
"393950"	1279.423618	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+Na"	22.989218
"758107"	1907.640818	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+Na"	22.989218
"1604018"	651.206418	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Na"	22.989218
"317337"	640.215447	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+H+Na"	23.996494
"708667"	954.324047	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+H+Na"	23.996494
"1465767"	326.106847	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H+Na"	23.996494
"1054639"	217.740323333333	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2H+Na"	25.00377
"1261783"	661.250686	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+CH3OH+H"	33.033486
"382545"	1295.397558	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+K"	38.963158
"742447"	1923.614758	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+K"	38.963158
"1540493"	667.180358	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+K"	38.963158
"305323"	648.202417	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+H+K"	39.970434
"695921"	962.311017	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+H+K"	39.970434
"1450107"	334.093817	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H+K"	39.970434
"246362"	1298.468226	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+ACN+H"	42.033826
"1215788"	670.251026	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+ACN+H"	42.033826
"1200767"	335.629151	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+ACN+2H"	43.041102
"194730"	1301.40556	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+2Na-H"	44.97116
"634292"	1929.62276	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+2Na-H"	44.97116
"1133794"	673.18836	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2Na-H"	44.97116
"186570"	651.206418	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+2Na"	45.978436
"624667"	965.315018	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+2Na"	45.978436
"1127450"	337.097818	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2Na"	45.978436
"1408422"	225.067637333333	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H+2Na"	46.985712
"1439807"	675.229946	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H+HCOOH"	47.012746
"228404"	656.23944	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+3H2O+2H"	56.04448
"1519383"	689.28199	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+IsoProp+H"	61.06479
"421989"	659.193388	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+Na+K"	61.952376
"774962"	973.301988	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+Na+K"	61.952376
"1667417"	345.084788	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Na+K"	61.952376
"254541"	1320.450168	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+ACN+Na"	64.015768
"1232717"	692.232968	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+ACN+Na"	64.015768
"1720512"	692.256493	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+NH4+HCOOH"	64.039293
"1182585"	232.394951333333	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+3Na"	68.967654
"1653570"	697.211888	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Na+HCOOH"	68.994688
"158605"	1333.35344	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+2K-H"	76.91904
"599499"	1961.57064	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+2K-H"	76.91904
"1085954"	705.13624	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2K-H"	76.91904
"143624"	667.180358	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"2M+2K"	77.926316
"584162"	981.288958	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"3M+2K"	77.926316
"1074142"	353.071758	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2K"	77.926316
"1102002"	707.150792	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2K+H"	78.933592
"1344831"	707.238407	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+DMSO+H"	79.021207
"1010079"	711.277576	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2ACN+H"	83.060376
"1539523"	712.271208	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+IsoProp+Na+H"	84.054008
"1003415"	356.142426	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+2ACN+2H"	84.067652
"1601198"	713.185828	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+K+HCOOH"	84.968628
"1428317"	743.217338	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+H+CF3COOH"	115.000138
"1161157"	376.655701	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+3ACN+2H"	125.094202
"1711799"	760.243885	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+NH4+CF3COOH"	132.026685
"1647814"	765.19928	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+Na+CF3COOH"	136.98208
"1585651"	781.17322	"C16541"	"Chlorophyllide b"	"C35H32MgN4O6"	"628.2172"	"M+K+CF3COOH"	152.95602
"806175"	618.269	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M"	0
"975333"	599.25061	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-H2O-H"	-19.01839
"73418"	411.172057333333	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M-3H"	-3.021828
"509698"	617.261724	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M-3H"	-3.021828
"882030"	205.082390666667	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-3H"	-3.021828
"1696"	617.261724	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M-2H"	-2.014552
"443442"	926.396224	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M-2H"	-2.014552
"819787"	308.127224	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-2H"	-2.014552
"82335"	1235.530724	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M-H"	-1.007276
"528459"	1853.799724	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M-H"	-1.007276
"907353"	617.261724	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-H"	-1.007276
"50792"	1252.557271	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M-2H+NH4"	16.019271
"489742"	1870.826271	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M-2H+NH4"	16.019271
"865356"	634.288271	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-2H+NH4"	16.019271
"37150"	1257.512666	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M-2H+Na"	20.974666
"472817"	1875.781666	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M-2H+Na"	20.974666
"854510"	639.243666	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-2H+Na"	20.974666
"1622951"	639.243666	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Na-2H"	20.974666
"95104"	635.250063	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M-H+Cl"	33.962126
"537957"	944.384563	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M-H+Cl"	33.962126
"930377"	326.115563	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-H+Cl"	33.962126
"272215"	1271.507402	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+Cl"	34.969402
"663541"	1889.776402	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+Cl"	34.969402
"1277037"	653.238402	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Cl"	34.969402
"20686"	1273.486606	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M-2H+K"	36.948606
"455801"	1891.755606	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M-2H+K"	36.948606
"838057"	655.217606	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-2H+K"	36.948606
"1557170"	655.217606	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+K-2H"	36.948606
"943227"	663.267194	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-H+HCOOH"	44.998194
"362295"	1281.536201	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+HCOOH-H"	44.998201
"348240"	1295.551851	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+Hac-H"	59.013851
"1493433"	677.282851	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Hac-H"	59.013851
"958547"	685.249151	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-H+NaCOOH"	66.980151
"110092"	653.238402	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+2Cl"	69.938804
"550901"	962.372902	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+2Cl"	69.938804
"1022008"	344.103902	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2Cl"	69.938804
"1241748"	697.187885	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Br"	78.918885
"1308288"	699.243872	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Cl+HCOOH"	80.974872
"1325785"	721.225829	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Cl+NaCOOH"	102.956829
"920124"	731.254586	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M-H+CF3COOH"	112.985586
"1291729"	767.231264	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Cl+CF3COOH"	148.962264
"1373902"	583.256324	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H-2H2O"	-35.012676
"1385930"	601.2663	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H-H2O"	-17.0027
"288898"	1237.545276	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+H"	1.007276
"680225"	1855.814276	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+H"	1.007276
"1357669"	619.276276	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H"	1.007276
"129471"	619.276276	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+2H"	2.014552
"573403"	928.410776	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+2H"	2.014552
"1042206"	310.141776	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2H"	2.014552
"209013"	413.186609333333	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+3H"	3.021828
"650763"	619.276276	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+3H"	3.021828
"1172165"	207.096942666667	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+3H"	3.021828
"428148"	1254.571823	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+NH4"	18.033823
"789871"	1872.840823	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+NH4"	18.033823
"1690575"	636.302823	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+NH4"	18.033823
"331564"	627.7895495	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+H+NH4"	19.041099
"725441"	936.9240495	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+H+NH4"	19.041099
"1480726"	318.6550495	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H+NH4"	19.041099
"394424"	1259.527218	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+Na"	22.989218
"759311"	1877.796218	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+Na"	22.989218
"1607408"	641.258218	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Na"	22.989218
"319632"	630.267247	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+H+Na"	23.996494
"710962"	939.401747	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+H+Na"	23.996494
"1468065"	321.132747	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H+Na"	23.996494
"1054749"	214.424256666667	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2H+Na"	25.00377
"1262988"	651.302486	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+CH3OH+H"	33.033486
"383748"	1275.501158	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+K"	38.963158
"743652"	1893.770158	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+K"	38.963158
"1546798"	657.232158	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+K"	38.963158
"306524"	638.254217	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+H+K"	39.970434
"696760"	947.388717	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+H+K"	39.970434
"1452401"	329.119717	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H+K"	39.970434
"245378"	1278.571826	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+ACN+H"	42.033826
"1214806"	660.302826	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+ACN+H"	42.033826
"1201970"	330.655051	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+ACN+2H"	43.041102
"192654"	1281.50916	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+2Na-H"	44.97116
"639870"	1899.77816	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+2Na-H"	44.97116
"1136090"	663.24016	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2Na-H"	44.97116
"185949"	641.258218	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+2Na"	45.978436
"625141"	950.392718	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+2Na"	45.978436
"1125736"	332.123718	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2Na"	45.978436
"1410353"	221.751570666667	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H+2Na"	46.985712
"1439188"	665.281746	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H+HCOOH"	47.012746
"227423"	646.29124	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+3H2O+2H"	56.04448
"1516577"	679.33379	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+IsoProp+H"	61.06479
"420274"	649.245188	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+Na+K"	61.952376
"775436"	958.379688	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+Na+K"	61.952376
"1667405"	340.110688	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Na+K"	61.952376
"255744"	1300.553768	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+ACN+Na"	64.015768
"1229547"	682.284768	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+ACN+Na"	64.015768
"1715155"	682.308293	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+NH4+HCOOH"	64.039293
"1179415"	229.078884666667	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+3Na"	68.967654
"1653676"	687.263688	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Na+HCOOH"	68.994688
"158594"	1313.45704	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+2K-H"	76.91904
"598152"	1931.72604	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+2K-H"	76.91904
"1085824"	695.18804	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2K-H"	76.91904
"141739"	657.232158	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"2M+2K"	77.926316
"584272"	966.366658	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"3M+2K"	77.926316
"1070970"	348.097658	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2K"	77.926316
"1100650"	697.202592	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2K+H"	78.933592
"1342754"	697.290207	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+DMSO+H"	79.021207
"1010189"	701.329376	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2ACN+H"	83.060376
"1539701"	702.323008	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+IsoProp+Na+H"	84.054008
"1003404"	351.168326	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+2ACN+2H"	84.067652
"1601187"	703.237628	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+K+HCOOH"	84.968628
"1426966"	733.269138	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+H+CF3COOH"	115.000138
"1161632"	371.681601	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+3ACN+2H"	125.094202
"1711180"	750.295685	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+NH4+CF3COOH"	132.026685
"1647924"	755.25108	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+Na+CF3COOH"	136.98208
"1585761"	771.22502	"C16542"	"APC"	"C33H38N4O8"	"618.269"	"M+K+CF3COOH"	152.95602
"812846"	518.2165	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M"	0
"984191"	499.19811	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-H2O-H"	-19.01839
"78532"	344.470390666667	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M-3H"	-3.021828
"518342"	517.209224	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M-3H"	-3.021828
"882142"	171.731557333333	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-3H"	-3.021828
"3996"	517.209224	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M-2H"	-2.014552
"446835"	776.317474	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M-2H"	-2.014552
"822451"	258.100974	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-2H"	-2.014552
"91193"	1035.425724	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M-H"	-1.007276
"531849"	1553.642224	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M-H"	-1.007276
"908556"	517.209224	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-H"	-1.007276
"54182"	1052.452271	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M-2H+NH4"	16.019271
"492648"	1570.668771	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M-2H+NH4"	16.019271
"869357"	534.235771	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-2H+NH4"	16.019271
"36531"	1057.407666	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M-2H+Na"	20.974666
"474630"	1575.624166	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M-2H+Na"	20.974666
"854620"	539.191166	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-2H+Na"	20.974666
"1623061"	539.191166	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Na-2H"	20.974666
"96306"	535.197563	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M-H+Cl"	33.962126
"542442"	794.305813	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M-H+Cl"	33.962126
"938144"	276.089313	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-H+Cl"	33.962126
"276700"	1071.402402	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+Cl"	34.969402
"666932"	1589.618902	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+Cl"	34.969402
"1279335"	553.185902	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Cl"	34.969402
"17880"	1073.381606	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M-2H+K"	36.948606
"459270"	1591.598106	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M-2H+K"	36.948606
"837074"	555.165106	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-2H+K"	36.948606
"1557155"	555.165106	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+K-2H"	36.948606
"948448"	563.214694	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-H+HCOOH"	44.998194
"363381"	1081.431201	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+HCOOH-H"	44.998201
"346898"	1095.446851	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+Hac-H"	59.013851
"1492825"	577.230351	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Hac-H"	59.013851
"959625"	585.196651	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-H+NaCOOH"	66.980151
"111451"	553.185902	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+2Cl"	69.938804
"550279"	812.294152	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+2Cl"	69.938804
"1022726"	294.077652	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+2Cl"	69.938804
"1243032"	597.135385	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Br"	78.918885
"1308397"	599.191372	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Cl+HCOOH"	80.974872
"1324802"	621.173329	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Cl+NaCOOH"	102.956829
"920234"	631.202086	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M-H+CF3COOH"	112.985586
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"1370732"	483.203824	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+H-2H2O"	-35.012676
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"571690"	778.332026	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+2H"	2.014552
"1039764"	260.115526	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+2H"	2.014552
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"648683"	519.223776	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+3H"	3.021828
"1170090"	173.746109333333	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+3H"	3.021828
"427530"	1054.466823	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+NH4"	18.033823
"789980"	1572.683323	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+NH4"	18.033823
"1689593"	536.250323	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+NH4"	18.033823
"333132"	527.7370495	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+H+NH4"	19.041099
"724821"	786.8452995	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+H+NH4"	19.041099
"1479743"	268.6287995	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+H+NH4"	19.041099
"394898"	1059.422218	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+Na"	22.989218
"760513"	1577.638718	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+Na"	22.989218
"1608611"	541.205718	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Na"	22.989218
"320835"	530.214747	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+H+Na"	23.996494
"712165"	789.322997	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+H+Na"	23.996494
"1469268"	271.106497	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+H+Na"	23.996494
"1059232"	181.073423333333	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+2H+Na"	25.00377
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"744854"	1593.612658	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+K"	38.963158
"1548001"	557.179658	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+K"	38.963158
"307363"	538.201717	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+H+K"	39.970434
"701971"	797.309967	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+H+K"	39.970434
"1455791"	279.093467	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+H+K"	39.970434
"249498"	1078.466826	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+ACN+H"	42.033826
"1213822"	560.250326	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+ACN+H"	42.033826
"1203173"	280.628801	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+ACN+2H"	43.041102
"194951"	1081.40416	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+2Na-H"	44.97116
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"1406816"	188.400737333333	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+H+2Na"	46.985712
"1440390"	565.229246	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+H+HCOOH"	47.012746
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"415278"	549.192688	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+Na+K"	61.952376
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"1674437"	290.084438	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Na+K"	61.952376
"255129"	1100.448768	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+ACN+Na"	64.015768
"1230751"	582.232268	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+ACN+Na"	64.015768
"1716358"	582.255793	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+NH4+HCOOH"	64.039293
"1182439"	195.728051333333	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+3Na"	68.967654
"1653060"	587.211188	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+Na+HCOOH"	68.994688
"158218"	1113.35204	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+2K-H"	76.91904
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"142872"	557.179658	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"2M+2K"	77.926316
"583289"	816.287908	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"3M+2K"	77.926316
"1072173"	298.071408	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+2K"	77.926316
"1101613"	597.150092	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+2K+H"	78.933592
"1342864"	597.237707	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+DMSO+H"	79.021207
"1009206"	601.276876	"C16543"	"NPC"	"C28H30N4O6"	"518.2165"	"M+2ACN+H"	83.060376
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"806395"	387.2198	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M"	0
"975553"	368.20141	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H2O-H"	-19.01839
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"503715"	386.212524	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-3H"	-3.021828
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"817455"	192.602624	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H"	-2.014552
"89117"	773.432324	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-H"	-1.007276
"531959"	1160.652124	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-H"	-1.007276
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"51013"	790.458871	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-2H+NH4"	16.019271
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"474011"	1182.634066	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-2H+Na"	20.974666
"854730"	408.194466	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-2H+Na"	20.974666
"1622442"	408.194466	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na-2H"	20.974666
"96417"	404.200863	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M-H+Cl"	33.962126
"542552"	597.810763	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M-H+Cl"	33.962126
"937161"	210.590963	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M-H+Cl"	33.962126
"276810"	809.409002	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Cl"	34.969402
"665949"	1196.628802	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Cl"	34.969402
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"127499"	388.227076	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2H"	2.014552
"568520"	581.836976	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2H"	2.014552
"1039874"	194.617176	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2H"	2.014552
"208139"	259.153809333333	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+3H"	3.021828
"646968"	388.227076	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+3H"	3.021828
"1170198"	130.080542666667	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3H"	3.021828
"426545"	792.473423	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+NH4"	18.033823
"787903"	1179.693223	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+NH4"	18.033823
"1684236"	405.253623	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4"	18.033823
"330053"	396.7403495	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+NH4"	19.041099
"724931"	590.3502495	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+NH4"	19.041099
"1479124"	203.1304495	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+NH4"	19.041099
"392940"	797.428818	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Na"	22.989218
"757343"	1184.648618	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Na"	22.989218
"1607628"	410.209018	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na"	22.989218
"316571"	399.218047	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+Na"	23.996494
"711545"	592.827947	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+Na"	23.996494
"1467192"	205.608147	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+Na"	23.996494
"1057155"	137.407856666667	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2H+Na"	25.00377
"1261385"	420.253286	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+CH3OH+H"	33.033486
"382875"	813.402758	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+K"	38.963158
"747151"	1200.622558	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+K"	38.963158
"1548111"	426.182958	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K"	38.963158
"306380"	407.205017	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+H+K"	39.970434
"703175"	600.814917	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+H+K"	39.970434
"1458088"	213.595117	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+K"	39.970434
"246690"	816.473426	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+ACN+H"	42.033826
"1215026"	429.253626	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+H"	42.033826
"1200001"	215.130451	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+2H"	43.041102
"196154"	819.41076	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Na-H"	44.97116
"637902"	1206.63056	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Na-H"	44.97116
"1133395"	432.19096	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Na-H"	44.97116
"185804"	410.209018	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2Na"	45.978436
"623173"	603.818918	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2Na"	45.978436
"1123403"	216.599118	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2Na"	45.978436
"1406926"	144.735170666667	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+2Na"	46.985712
"1440500"	434.232546	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+HCOOH"	47.012746
"224364"	415.24204	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+3H2O+2H"	56.04448
"1512787"	448.28459	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+IsoProp+H"	61.06479
"414297"	418.195988	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+Na+K"	61.952376
"771285"	611.805888	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+Na+K"	61.952376
"1673818"	224.586088	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+K"	61.952376
"253781"	838.455368	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+ACN+Na"	64.015768
"1228675"	451.235568	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+ACN+Na"	64.015768
"1714647"	451.259093	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4+HCOOH"	64.039293
"1181456"	152.062484666667	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3Na"	68.967654
"1652806"	456.214488	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+HCOOH"	68.994688
"159421"	851.35864	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2K-H"	76.91904
"598372"	1238.57844	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2K-H"	76.91904
"1087016"	464.13884	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K-H"	76.91904
"141886"	426.182958	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"2M+2K"	77.926316
"586678"	619.792858	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"3M+2K"	77.926316
"1071190"	232.573058	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K"	77.926316
"1100994"	466.153392	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2K+H"	78.933592
"1340058"	466.241007	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+DMSO+H"	79.021207
"1009316"	470.280176	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2ACN+H"	83.060376
"1538882"	471.273808	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+IsoProp+Na+H"	84.054008
"1003744"	235.643726	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+2ACN+2H"	84.067652
"1601896"	472.188428	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K+HCOOH"	84.968628
"1427917"	502.219938	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+H+CF3COOH"	115.000138
"1160762"	256.157001	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+3ACN+2H"	125.094202
"1711648"	519.246485	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+NH4+CF3COOH"	132.026685
"1648756"	524.20188	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+Na+CF3COOH"	136.98208
"1585981"	540.17582	"C16544"	"alpha-Hydroxytamoxifen"	"C26H29NO2"	"387.2198"	"M+K+CF3COOH"	152.95602
"806505"	387.2198	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M"	0
"975663"	368.20141	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-H2O-H"	-19.01839
"66092"	257.139257333333	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M-3H"	-3.021828
"504554"	386.212524	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M-3H"	-3.021828
"882356"	128.065990666667	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-3H"	-3.021828
"3119"	386.212524	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M-2H"	-2.014552
"447052"	579.822424	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M-2H"	-2.014552
"819750"	192.602624	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-2H"	-2.014552
"80107"	773.432324	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M-H"	-1.007276
"526602"	1160.652124	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M-H"	-1.007276
"907683"	386.212524	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-H"	-1.007276
"51851"	790.458871	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M-2H+NH4"	16.019271
"488128"	1177.678671	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M-2H+NH4"	16.019271
"865201"	403.239071	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-2H+NH4"	16.019271
"34199"	795.414266	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M-2H+Na"	20.974666
"474852"	1182.634066	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M-2H+Na"	20.974666
"854840"	408.194466	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-2H+Na"	20.974666
"1623645"	408.194466	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Na-2H"	20.974666
"94948"	404.200863	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M-H+Cl"	33.962126
"545942"	597.810763	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M-H+Cl"	33.962126
"937271"	210.590963	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-H+Cl"	33.962126
"276920"	809.409002	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+Cl"	34.969402
"664966"	1196.628802	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+Cl"	34.969402
"1277368"	422.189202	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Cl"	34.969402
"17736"	811.388206	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M-2H+K"	36.948606
"458396"	1198.608006	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M-2H+K"	36.948606
"835470"	424.168406	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-2H+K"	36.948606
"1557499"	424.168406	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+K-2H"	36.948606
"949761"	432.217994	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-H+HCOOH"	44.998194
"362142"	819.437801	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+HCOOH-H"	44.998201
"345768"	833.453451	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+Hac-H"	59.013851
"1492910"	446.233651	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Hac-H"	59.013851
"959847"	454.199951	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-H+NaCOOH"	66.980151
"111669"	422.189202	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+2Cl"	69.938804
"550131"	615.799102	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+2Cl"	69.938804
"1022341"	228.579302	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2Cl"	69.938804
"1243981"	466.138685	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Br"	78.918885
"1311896"	468.194672	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Cl+HCOOH"	80.974872
"1325022"	490.176629	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Cl+NaCOOH"	102.956829
"920454"	500.205386	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M-H+CF3COOH"	112.985586
"1296067"	536.182064	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Cl+CF3COOH"	148.962264
"1370952"	352.207124	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H-2H2O"	-35.012676
"1389538"	370.2171	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H-H2O"	-17.0027
"287037"	775.446876	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+H"	1.007276
"679459"	1162.666676	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+H"	1.007276
"1353984"	388.227076	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H"	1.007276
"131985"	388.227076	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+2H"	2.014552
"566563"	581.836976	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+2H"	2.014552
"1038282"	194.617176	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2H"	2.014552
"207156"	259.153809333333	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+3H"	3.021828
"646715"	388.227076	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+3H"	3.021828
"1169214"	130.080542666667	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+3H"	3.021828
"426651"	792.473423	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+NH4"	18.033823
"788741"	1179.693223	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+NH4"	18.033823
"1684710"	405.253623	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+NH4"	18.033823
"331163"	396.7403495	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+H+NH4"	19.041099
"724678"	590.3502495	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+H+NH4"	19.041099
"1479235"	203.1304495	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H+NH4"	19.041099
"399737"	797.428818	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+Na"	22.989218
"758546"	1184.648618	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+Na"	22.989218
"1604096"	410.209018	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Na"	22.989218
"316685"	399.218047	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+H+Na"	23.996494
"710198"	592.827947	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+H+Na"	23.996494
"1469488"	205.608147	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H+Na"	23.996494
"1057265"	137.407856666667	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2H+Na"	25.00377
"1261131"	420.253286	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+CH3OH+H"	33.033486
"382985"	813.402758	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+K"	38.963158
"746168"	1200.622558	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+K"	38.963158
"1548221"	426.182958	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+K"	38.963158
"304303"	407.205017	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+H+K"	39.970434
"700004"	600.814917	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+H+K"	39.970434
"1457104"	213.595117	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H+K"	39.970434
"247893"	816.473426	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+ACN+H"	42.033826
"1215138"	429.253626	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+ACN+H"	42.033826
"1199019"	215.130451	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+ACN+2H"	43.041102
"196264"	819.41076	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+2Na-H"	44.97116
"635826"	1206.63056	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+2Na-H"	44.97116
"1134598"	432.19096	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2Na-H"	44.97116
"182268"	410.209018	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+2Na"	45.978436
"625107"	603.818918	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+2Na"	45.978436
"1123512"	216.599118	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2Na"	45.978436
"1404849"	144.735170666667	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H+2Na"	46.985712
"1432590"	434.232546	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H+HCOOH"	47.012746
"224474"	415.24204	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+3H2O+2H"	56.04448
"1510346"	448.28459	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+IsoProp+H"	61.06479
"415499"	418.195988	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+Na+K"	61.952376
"775399"	611.805888	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+Na+K"	61.952376
"1673928"	224.586088	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Na+K"	61.952376
"256075"	838.455368	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+ACN+Na"	64.015768
"1226956"	451.235568	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+ACN+Na"	64.015768
"1716211"	451.259093	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+NH4+HCOOH"	64.039293
"1180472"	152.062484666667	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+3Na"	68.967654
"1651822"	456.214488	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Na+HCOOH"	68.994688
"158317"	851.35864	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+2K-H"	76.91904
"597143"	1238.57844	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+2K-H"	76.91904
"1084939"	464.13884	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2K-H"	76.91904
"142363"	426.182958	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"2M+2K"	77.926316
"583265"	619.792858	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"3M+2K"	77.926316
"1070328"	232.573058	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2K"	77.926316
"1100131"	466.153392	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2K+H"	78.933592
"1341990"	466.241007	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+DMSO+H"	79.021207
"1009426"	470.280176	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2ACN+H"	83.060376
"1538502"	471.273808	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+IsoProp+Na+H"	84.054008
"1004220"	235.643726	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+2ACN+2H"	84.067652
"1600423"	472.188428	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+K+HCOOH"	84.968628
"1425109"	502.219938	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+H+CF3COOH"	115.000138
"1161236"	256.157001	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+3ACN+2H"	125.094202
"1710785"	519.246485	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+NH4+CF3COOH"	132.026685
"1647891"	524.20188	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+Na+CF3COOH"	136.98208
"1586091"	540.17582	"C16545"	"Tamoxifen N-oxide"	"C26H29NO2"	"387.2198"	"M+K+CF3COOH"	152.95602
"806615"	357.2093	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M"	0
"976866"	338.19091	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-H2O-H"	-19.01839
"64016"	237.132257333333	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M-3H"	-3.021828
"504298"	356.202024	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M-3H"	-3.021828
"881736"	118.062490666667	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-3H"	-3.021828
"1042"	356.202024	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M-2H"	-2.014552
"442788"	534.806674	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M-2H"	-2.014552
"820590"	177.597374	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-2H"	-2.014552
"79246"	713.411324	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M-H"	-1.007276
"527806"	1070.620624	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M-H"	-1.007276
"906700"	356.202024	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-H"	-1.007276
"51233"	730.437871	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M-2H+NH4"	16.019271
"488967"	1087.647171	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M-2H+NH4"	16.019271
"866405"	373.228571	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-2H+NH4"	16.019271
"36861"	735.393266	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M-2H+Na"	20.974666
"475326"	1092.602566	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M-2H+Na"	20.974666
"854950"	378.183966	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-2H+Na"	20.974666
"1625578"	378.183966	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Na-2H"	20.974666
"104294"	374.190363	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M-H+Cl"	33.962126
"537302"	552.795013	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M-H+Cl"	33.962126
"938474"	195.585713	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-H+Cl"	33.962126
"277030"	749.388002	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+Cl"	34.969402
"665076"	1106.597302	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+Cl"	34.969402
"1275292"	392.178702	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Cl"	34.969402
"16753"	751.367206	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M-2H+K"	36.948606
"458505"	1108.576506	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M-2H+K"	36.948606
"834485"	394.157906	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-2H+K"	36.948606
"1559796"	394.157906	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+K-2H"	36.948606
"947684"	402.207494	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-H+HCOOH"	44.998194
"363346"	759.416801	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+HCOOH-H"	44.998201
"347957"	773.432451	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+Hac-H"	59.013851
"1494967"	416.223151	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Hac-H"	59.013851
"959956"	424.189451	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-H+NaCOOH"	66.980151
"111537"	392.178702	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+2Cl"	69.938804
"551343"	570.783352	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+2Cl"	69.938804
"1024517"	213.574052	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2Cl"	69.938804
"1241908"	436.128185	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Br"	78.918885
"1304720"	438.184172	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Cl+HCOOH"	80.974872
"1326225"	460.166129	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Cl+NaCOOH"	102.956829
"917284"	470.194886	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M-H+CF3COOH"	112.985586
"1295084"	506.171564	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Cl+CF3COOH"	148.962264
"1371062"	322.196624	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H-2H2O"	-35.012676
"1389648"	340.2066	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H-H2O"	-17.0027
"289334"	715.425876	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+H"	1.007276
"679568"	1072.635176	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+H"	1.007276
"1354824"	358.216576	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H"	1.007276
"129537"	358.216576	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+2H"	2.014552
"570564"	536.821226	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+2H"	2.014552
"1040458"	179.611926	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2H"	2.014552
"207266"	239.146809333333	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+3H"	3.021828
"647919"	358.216576	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+3H"	3.021828
"1169325"	120.077042666667	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+3H"	3.021828
"429677"	732.452423	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+NH4"	18.033823
"788851"	1089.661723	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+NH4"	18.033823
"1684088"	375.243123	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+NH4"	18.033823
"332731"	366.7298495	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+H+NH4"	19.041099
"724180"	545.3344995	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+H+NH4"	19.041099
"1477765"	188.1251995	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H+NH4"	19.041099
"394017"	737.407818	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+Na"	22.989218
"755741"	1094.617118	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+Na"	22.989218
"1603840"	380.198518	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Na"	22.989218
"314402"	369.207547	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+H+Na"	23.996494
"707264"	547.812197	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+H+Na"	23.996494
"1462671"	190.602897	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H+Na"	23.996494
"1055189"	127.404356666667	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2H+Na"	25.00377
"1260512"	390.242786	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+CH3OH+H"	33.033486
"383095"	753.381758	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+K"	38.963158
"745185"	1110.591058	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+K"	38.963158
"1547237"	396.172458	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+K"	38.963158
"305508"	377.194517	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+H+K"	39.970434
"700114"	555.799167	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+H+K"	39.970434
"1459404"	198.589867	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H+K"	39.970434
"249462"	756.452426	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+ACN+H"	42.033826
"1210873"	399.243126	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+ACN+H"	42.033826
"1199130"	200.125201	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+ACN+2H"	43.041102
"198561"	759.38976	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+2Na-H"	44.97116
"640310"	1116.59906	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+2Na-H"	44.97116
"1133615"	402.18046	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2Na-H"	44.97116
"181648"	380.198518	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+2Na"	45.978436
"623394"	558.803168	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+2Na"	45.978436
"1123622"	201.593868	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2Na"	45.978436
"1407146"	134.731670666667	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H+2Na"	46.985712
"1432700"	404.222046	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H+HCOOH"	47.012746
"220936"	385.23154	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+3H2O+2H"	56.04448
"1517019"	418.27409	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+IsoProp+H"	61.06479
"414518"	388.185488	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+Na+K"	61.952376
"774418"	566.790138	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+Na+K"	61.952376
"1667104"	209.580838	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Na+K"	61.952376
"256185"	778.434368	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+ACN+Na"	64.015768
"1226337"	421.225068	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+ACN+Na"	64.015768
"1715957"	421.248593	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+NH4+HCOOH"	64.039293
"1179485"	142.058984666667	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+3Na"	68.967654
"1650472"	426.203988	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Na+HCOOH"	68.994688
"157819"	791.33764	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+2K-H"	76.91904
"597250"	1148.54694	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+2K-H"	76.91904
"1084479"	434.12834	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2K-H"	76.91904
"142473"	396.172458	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"2M+2K"	77.926316
"583254"	574.777108	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"3M+2K"	77.926316
"1069465"	217.567808	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2K"	77.926316
"1100195"	436.142892	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2K+H"	78.933592
"1342100"	436.230507	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+DMSO+H"	79.021207
"1009535"	440.269676	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2ACN+H"	83.060376
"1539340"	441.263308	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+IsoProp+Na+H"	84.054008
"1002872"	220.638476	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+2ACN+2H"	84.067652
"1599561"	442.177928	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+K+HCOOH"	84.968628
"1425219"	472.209438	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+H+CF3COOH"	115.000138
"1162075"	241.151751	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+3ACN+2H"	125.094202
"1710528"	489.235985	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+NH4+CF3COOH"	132.026685
"1649095"	494.19138	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+Na+CF3COOH"	136.98208
"1586201"	510.16532	"C16546"	"N-Desmethyltamoxifen"	"C25H27NO"	"357.2093"	"M+K+CF3COOH"	152.95602
"806725"	373.2042	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M"	0
"983538"	354.18581	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H2O-H"	-19.01839
"64247"	247.795524	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-3H"	-3.021828
"503681"	372.196924	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-3H"	-3.021828
"880386"	123.394124	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-3H"	-3.021828
"176"	372.196924	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H"	-2.014552
"443992"	558.799024	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H"	-2.014552
"822884"	185.594824	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H"	-2.014552
"85072"	745.401124	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-H"	-1.007276
"530103"	1118.605324	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-H"	-1.007276
"904624"	372.196924	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H"	-1.007276
"51707"	762.427671	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H+NH4"	16.019271
"494184"	1135.631871	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H+NH4"	16.019271
"869070"	389.223471	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H+NH4"	16.019271
"39887"	767.383066	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H+Na"	20.974666
"475801"	1140.587266	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H+Na"	20.974666
"853602"	394.178866	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H+Na"	20.974666
"1627875"	394.178866	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na-2H"	20.974666
"107684"	390.185263	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-H+Cl"	33.962126
"538505"	576.787363	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-H+Cl"	33.962126
"938584"	203.583163	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+Cl"	33.962126
"277140"	781.377802	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Cl"	34.969402
"669561"	1154.582002	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+Cl"	34.969402
"1282694"	408.173602	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl"	34.969402
"19052"	783.357006	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H+K"	36.948606
"460802"	1156.561206	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H+K"	36.948606
"833382"	410.152806	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H+K"	36.948606
"1559906"	410.152806	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K-2H"	36.948606
"945242"	418.202394	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+HCOOH"	44.998194
"363820"	791.406601	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+HCOOH-H"	44.998201
"346365"	805.422251	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Hac-H"	59.013851
"1494713"	432.218051	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Hac-H"	59.013851
"958968"	440.184351	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+NaCOOH"	66.980151
"111032"	408.173602	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2Cl"	69.938804
"551081"	594.775702	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2Cl"	69.938804
"1022074"	221.571502	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2Cl"	69.938804
"1242016"	452.123085	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Br"	78.918885
"1304259"	454.179072	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl+HCOOH"	80.974872
"1321961"	476.161029	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl+NaCOOH"	102.956829
"913020"	486.189786	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+CF3COOH"	112.985586
"1296288"	522.166464	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl+CF3COOH"	148.962264
"1370077"	338.191524	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H-2H2O"	-35.012676
"1388664"	356.2015	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H-H2O"	-17.0027
"287257"	747.415676	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H"	1.007276
"679678"	1120.619876	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H"	1.007276
"1353841"	374.211476	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H"	1.007276
"126731"	374.211476	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2H"	2.014552
"570674"	560.813576	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2H"	2.014552
"1040568"	187.609376	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2H"	2.014552
"208469"	249.810076	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+3H"	3.021828
"652403"	374.211476	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+3H"	3.021828
"1170527"	125.408676	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+3H"	3.021828
"427965"	764.442223	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+NH4"	18.033823
"789326"	1137.646423	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+NH4"	18.033823
"1684927"	391.238023	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+NH4"	18.033823
"332477"	382.7247495	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H+NH4"	19.041099
"723804"	569.3268495	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H+NH4"	19.041099
"1478726"	196.1226495	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+NH4"	19.041099
"397042"	769.397618	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Na"	22.989218
"755851"	1142.601818	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+Na"	22.989218
"1603705"	396.193418	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na"	22.989218
"314958"	385.202447	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H+Na"	23.996494
"707621"	571.804547	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H+Na"	23.996494
"1463145"	198.600347	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+Na"	23.996494
"1057486"	132.73599	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2H+Na"	25.00377
"1261352"	406.237686	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+CH3OH+H"	33.033486
"383205"	785.371558	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+K"	38.963158
"746389"	1158.575758	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+K"	38.963158
"1545162"	412.167358	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K"	38.963158
"307804"	393.189417	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H+K"	39.970434
"705691"	579.791517	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H+K"	39.970434
"1459147"	206.587317	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+K"	39.970434
"246656"	788.442226	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+ACN+H"	42.033826
"1213170"	415.238026	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+ACN+H"	42.033826
"1201427"	208.122651	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+ACN+2H"	43.041102
"198672"	791.37956	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2Na-H"	44.97116
"636044"	1164.58376	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2Na-H"	44.97116
"1131901"	418.17536	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2Na-H"	44.97116
"185039"	396.193418	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2Na"	45.978436
"619131"	582.795518	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2Na"	45.978436
"1125919"	209.591318	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2Na"	45.978436
"1407256"	140.063304	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+2Na"	46.985712
"1439370"	420.216946	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+HCOOH"	47.012746
"227977"	401.22644	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+3H2O+2H"	56.04448
"1516037"	434.26899	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+IsoProp+H"	61.06479
"411349"	404.180388	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Na+K"	61.952376
"775622"	590.782488	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+Na+K"	61.952376
"1666488"	217.578288	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na+K"	61.952376
"254111"	810.424168	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+ACN+Na"	64.015768
"1227910"	437.219968	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+ACN+Na"	64.015768
"1716798"	437.243493	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+NH4+HCOOH"	64.039293
"1178905"	147.390618	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+3Na"	68.967654
"1650949"	442.198888	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na+HCOOH"	68.994688
"157806"	823.32744	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2K-H"	76.91904
"598584"	1196.53164	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2K-H"	76.91904
"1086253"	450.12324	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2K-H"	76.91904
"143193"	412.167358	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2K"	77.926316
"584093"	598.769458	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2K"	77.926316
"1073709"	225.565258	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2K"	77.926316
"1099959"	452.137792	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2K+H"	78.933592
"1340024"	452.225407	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+DMSO+H"	79.021207
"1009645"	456.264576	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2ACN+H"	83.060376
"1536534"	457.258208	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+IsoProp+Na+H"	84.054008
"1004076"	228.635926	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2ACN+2H"	84.067652
"1599671"	458.172828	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K+HCOOH"	84.968628
"1425329"	488.204338	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+CF3COOH"	115.000138
"1160362"	249.149201	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+3ACN+2H"	125.094202
"1710637"	505.230885	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+NH4+CF3COOH"	132.026685
"1647381"	510.18628	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na+CF3COOH"	136.98208
"1576470"	526.16022	"C16547"	"Endoxifen;4-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K+CF3COOH"	152.95602
"806836"	343.1936	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M"	0
"980368"	324.17521	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-H2O-H"	-19.01839
"64236"	227.788457333333	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M-3H"	-3.021828
"503428"	342.186324	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M-3H"	-3.021828
"882685"	113.390590666667	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-3H"	-3.021828
"1017"	342.186324	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M-2H"	-2.014552
"445195"	513.783124	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M-2H"	-2.014552
"821171"	170.589524	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-2H"	-2.014552
"80806"	685.379924	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M-H"	-1.007276
"531306"	1028.573524	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M-H"	-1.007276
"903641"	342.186324	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-H"	-1.007276
"51453"	702.406471	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M-2H+NH4"	16.019271
"494294"	1045.600071	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M-2H+NH4"	16.019271
"869544"	359.212871	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-2H+NH4"	16.019271
"34893"	707.361866	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M-2H+Na"	20.974666
"480652"	1050.555466	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M-2H+Na"	20.974666
"853348"	364.168266	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-2H+Na"	20.974666
"1622881"	364.168266	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Na-2H"	20.974666
"103421"	360.174663	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M-H+Cl"	33.962126
"540801"	531.771463	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M-H+Cl"	33.962126
"931038"	188.577863	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-H+Cl"	33.962126
"276155"	721.356602	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+Cl"	34.969402
"665296"	1064.550202	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+Cl"	34.969402
"1278792"	378.163002	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Cl"	34.969402
"16485"	723.335806	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M-2H+K"	36.948606
"463099"	1066.529406	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M-2H+K"	36.948606
"839810"	380.142206	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-2H+K"	36.948606
"1560016"	380.142206	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+K-2H"	36.948606
"947898"	388.191794	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-H+HCOOH"	44.998194
"367210"	731.385401	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+HCOOH-H"	44.998201
"347811"	745.401051	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+Hac-H"	59.013851
"1495186"	402.207451	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Hac-H"	59.013851
"960906"	410.173751	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-H+NaCOOH"	66.980151
"111633"	378.163002	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+2Cl"	69.938804
"551193"	549.759802	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+2Cl"	69.938804
"1023278"	206.566202	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2Cl"	69.938804
"1242609"	422.112485	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Br"	78.918885
"1306032"	424.168472	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Cl+HCOOH"	80.974872
"1324258"	446.150429	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Cl+NaCOOH"	102.956829
"915317"	456.179186	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M-H+CF3COOH"	112.985586
"1295305"	492.155864	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Cl+CF3COOH"	148.962264
"1370187"	308.180924	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H-2H2O"	-35.012676
"1387683"	326.1909	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H-H2O"	-17.0027
"285181"	687.394476	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+H"	1.007276
"676873"	1030.588076	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+H"	1.007276
"1353950"	344.200876	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H"	1.007276
"131222"	344.200876	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+2H"	2.014552
"569691"	515.797676	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+2H"	2.014552
"1041043"	172.604076	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2H"	2.014552
"206757"	229.803009333333	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+3H"	3.021828
"647044"	344.200876	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+3H"	3.021828
"1166629"	115.405142666667	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+3H"	3.021828
"427714"	704.421023	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+NH4"	18.033823
"790165"	1047.614623	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+NH4"	18.033823
"1685402"	361.227423	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+NH4"	18.033823
"331859"	352.7141495	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+H+NH4"	19.041099
"724279"	524.3109495	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+H+NH4"	19.041099
"1479565"	181.1173495	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H+NH4"	19.041099
"396787"	709.376418	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+Na"	22.989218
"757783"	1052.570018	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+Na"	22.989218
"1605152"	366.182818	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Na"	22.989218
"316283"	355.191847	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+H+Na"	23.996494
"709311"	526.788647	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+H+Na"	23.996494
"1464350"	183.595047	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H+Na"	23.996494
"1054678"	122.732456666667	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2H+Na"	25.00377
"1258302"	376.227086	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+CH3OH+H"	33.033486
"380399"	725.350358	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+K"	38.963158
"741394"	1068.543958	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+K"	38.963158
"1541625"	382.156758	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+K"	38.963158
"300623"	363.178817	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+H+K"	39.970434
"699241"	534.775617	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+H+K"	39.970434
"1456341"	191.582017	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H+K"	39.970434
"243849"	728.421026	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+ACN+H"	42.033826
"1213645"	385.227426	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+ACN+H"	42.033826
"1202631"	193.117351	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+ACN+2H"	43.041102
"194408"	731.35836	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+2Na-H"	44.97116
"636154"	1074.55196	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+2Na-H"	44.97116
"1142952"	388.16476	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2Na-H"	44.97116
"184056"	366.182818	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+2Na"	45.978436
"619241"	537.779618	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+2Na"	45.978436
"1124936"	194.586018	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2Na"	45.978436
"1407366"	130.059770666667	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H+2Na"	46.985712
"1439480"	390.206346	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H+HCOOH"	47.012746
"225901"	371.21584	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+3H2O+2H"	56.04448
"1512868"	404.25839	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+IsoProp+H"	61.06479
"412553"	374.169788	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+Na+K"	61.952376
"776827"	545.766588	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+Na+K"	61.952376
"1668056"	202.572988	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Na+K"	61.952376
"259687"	750.402968	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+ACN+Na"	64.015768
"1227291"	407.209368	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+ACN+Na"	64.015768
"1718001"	407.232893	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+NH4+HCOOH"	64.039293
"1181168"	137.387084666667	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+3Na"	68.967654
"1654341"	412.188288	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Na+HCOOH"	68.994688
"158646"	763.30624	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+2K-H"	76.91904
"598208"	1106.49984	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+2K-H"	76.91904
"1084460"	420.11264	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2K-H"	76.91904
"144279"	382.156758	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"2M+2K"	77.926316
"583840"	553.753558	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"3M+2K"	77.926316
"1073822"	210.559958	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2K"	77.926316
"1102291"	422.127192	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2K+H"	78.933592
"1339041"	422.214807	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+DMSO+H"	79.021207
"1010855"	426.253976	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2ACN+H"	83.060376
"1536635"	427.247608	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+IsoProp+Na+H"	84.054008
"1001999"	213.630626	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+2ACN+2H"	84.067652
"1600873"	428.162228	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+K+HCOOH"	84.968628
"1425440"	458.193738	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+H+CF3COOH"	115.000138
"1161195"	234.143901	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+3ACN+2H"	125.094202
"1709652"	475.220285	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+NH4+CF3COOH"	132.026685
"1645303"	480.17568	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+Na+CF3COOH"	136.98208
"1577673"	496.14962	"C16548"	"NN-Didesmethyltamoxifen"	"C24H25NO"	"343.1936"	"M+K+CF3COOH"	152.95602
"806945"	373.2042	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M"	0
"975010"	354.18581	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H2O-H"	-19.01839
"64346"	247.795524	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-3H"	-3.021828
"504632"	372.196924	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-3H"	-3.021828
"884983"	123.394124	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-3H"	-3.021828
"2100"	372.196924	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H"	-2.014552
"445304"	558.799024	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H"	-2.014552
"824200"	185.594824	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H"	-2.014552
"83106"	745.401124	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-H"	-1.007276
"532270"	1118.605324	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-H"	-1.007276
"909219"	372.196924	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H"	-1.007276
"53751"	762.427671	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H+NH4"	16.019271
"499872"	1135.631871	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H+NH4"	16.019271
"875487"	389.223471	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H+NH4"	16.019271
"45212"	767.383066	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H+Na"	20.974666
"484043"	1140.587266	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H+Na"	20.974666
"859657"	394.178866	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H+Na"	20.974666
"1625910"	394.178866	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na-2H"	20.974666
"107906"	390.185263	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-H+Cl"	33.962126
"546380"	576.787363	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-H+Cl"	33.962126
"933333"	203.583163	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+Cl"	33.962126
"272617"	781.377802	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Cl"	34.969402
"668687"	1154.582002	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+Cl"	34.969402
"1278903"	408.173602	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl"	34.969402
"19272"	783.357006	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M-2H+K"	36.948606
"470501"	1156.561206	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M-2H+K"	36.948606
"843201"	410.152806	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-2H+K"	36.948606
"1563408"	410.152806	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K-2H"	36.948606
"951289"	418.202394	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+HCOOH"	44.998194
"365497"	791.406601	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+HCOOH-H"	44.998201
"350109"	805.422251	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Hac-H"	59.013851
"1495296"	432.218051	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Hac-H"	59.013851
"961381"	440.184351	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+NaCOOH"	66.980151
"114300"	408.173602	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2Cl"	69.938804
"556046"	594.775702	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2Cl"	69.938804
"1026306"	221.571502	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2Cl"	69.938804
"1244790"	452.123085	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Br"	78.918885
"1309790"	454.179072	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl+HCOOH"	80.974872
"1325828"	476.161029	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl+NaCOOH"	102.956829
"917980"	486.189786	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M-H+CF3COOH"	112.985586
"1298696"	522.166464	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Cl+CF3COOH"	148.962264
"1374673"	338.191524	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H-2H2O"	-35.012676
"1385970"	356.2015	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H-H2O"	-17.0027
"285658"	747.415676	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H"	1.007276
"678078"	1120.619876	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H"	1.007276
"1353331"	374.211476	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H"	1.007276
"134614"	374.211476	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2H"	2.014552
"574174"	560.813576	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2H"	2.014552
"1046252"	187.609376	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2H"	2.014552
"210878"	249.810076	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+3H"	3.021828
"648251"	374.211476	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+3H"	3.021828
"1168560"	125.408676	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+3H"	3.021828
"428187"	764.442223	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+NH4"	18.033823
"790642"	1137.646423	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+NH4"	18.033823
"1686971"	391.238023	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+NH4"	18.033823
"332337"	382.7247495	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H+NH4"	19.041099
"725488"	569.3268495	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H+NH4"	19.041099
"1478943"	196.1226495	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+NH4"	19.041099
"399085"	769.397618	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Na"	22.989218
"757896"	1142.601818	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+Na"	22.989218
"1605993"	396.193418	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na"	22.989218
"317486"	385.202447	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H+Na"	23.996494
"709906"	571.804547	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H+Na"	23.996494
"1463364"	198.600347	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+Na"	23.996494
"1053570"	132.73599	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2H+Na"	25.00377
"1258653"	406.237686	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+CH3OH+H"	33.033486
"378686"	785.371558	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+K"	38.963158
"740775"	1158.575758	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+K"	38.963158
"1540395"	412.167358	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K"	38.963158
"302557"	393.189417	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+H+K"	39.970434
"696072"	579.791517	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+H+K"	39.970434
"1453172"	206.587317	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+K"	39.970434
"241773"	788.442226	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+ACN+H"	42.033826
"1214119"	415.238026	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+ACN+H"	42.033826
"1196542"	208.122651	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+ACN+2H"	43.041102
"193059"	791.37956	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2Na-H"	44.97116
"635171"	1164.58376	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2Na-H"	44.97116
"1143062"	418.17536	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2Na-H"	44.97116
"184166"	396.193418	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2Na"	45.978436
"621538"	582.795518	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2Na"	45.978436
"1126139"	209.591318	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2Na"	45.978436
"1407474"	140.063304	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+2Na"	46.985712
"1443966"	420.216946	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+HCOOH"	47.012746
"224919"	401.22644	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+3H2O+2H"	56.04448
"1511887"	434.26899	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+IsoProp+H"	61.06479
"415945"	404.180388	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+Na+K"	61.952376
"778030"	590.782488	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+Na+K"	61.952376
"1669988"	217.578288	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na+K"	61.952376
"256517"	810.424168	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+ACN+Na"	64.015768
"1229224"	437.219968	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+ACN+Na"	64.015768
"1715195"	437.243493	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+NH4+HCOOH"	64.039293
"1181642"	147.390618	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+3Na"	68.967654
"1652626"	442.198888	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na+HCOOH"	68.994688
"159485"	823.32744	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2K-H"	76.91904
"601960"	1196.53164	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2K-H"	76.91904
"1086472"	450.12324	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2K-H"	76.91904
"145482"	412.167358	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"2M+2K"	77.926316
"584310"	598.769458	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"3M+2K"	77.926316
"1069670"	225.565258	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2K"	77.926316
"1100448"	452.137792	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2K+H"	78.933592
"1337203"	452.225407	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+DMSO+H"	79.021207
"1009870"	456.264576	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2ACN+H"	83.060376
"1526536"	457.258208	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+IsoProp+Na+H"	84.054008
"1003201"	228.635926	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+2ACN+2H"	84.067652
"1598796"	458.172828	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K+HCOOH"	84.968628
"1425549"	488.204338	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+H+CF3COOH"	115.000138
"1158024"	249.149201	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+3ACN+2H"	125.094202
"1710855"	505.230885	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+NH4+CF3COOH"	132.026685
"1644320"	510.18628	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+Na+CF3COOH"	136.98208
"1576690"	526.16022	"C16549"	"alpha-Hydroxy-N-desmethyltamoxifen"	"C25H27NO2"	"373.2042"	"M+K+CF3COOH"	152.95602
"807055"	198.0325	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M"	0
"975484"	179.01411	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H2O-H"	-19.01839
"64698"	131.014390666667	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-3H"	-3.021828
"503079"	197.025224	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-3H"	-3.021828
"881813"	65.0035573333333	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-3H"	-3.021828
"511"	197.025224	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H"	-2.014552
"444322"	296.041474	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H"	-2.014552
"824311"	98.008974	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H"	-2.014552
"80664"	395.057724	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-H"	-1.007276
"523871"	593.090224	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-H"	-1.007276
"909329"	197.025224	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H"	-1.007276
"53861"	412.084271	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H+NH4"	16.019271
"496702"	610.116771	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H+NH4"	16.019271
"874505"	214.051771	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H+NH4"	16.019271
"43499"	417.039666	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H+Na"	20.974666
"483061"	615.072166	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H+Na"	20.974666
"855394"	219.007166	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H+Na"	20.974666
"1622741"	219.007166	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na-2H"	20.974666
"104736"	215.013563	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-H+Cl"	33.962126
"543210"	314.029813	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-H+Cl"	33.962126
"933807"	115.997313	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+Cl"	33.962126
"267987"	431.034402	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Cl"	34.969402
"664415"	629.066902	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+Cl"	34.969402
"1275361"	233.001902	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl"	34.969402
"18283"	433.013606	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H+K"	36.948606
"460404"	631.046106	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H+K"	36.948606
"842218"	234.981106	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H+K"	36.948606
"1562425"	234.981106	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K-2H"	36.948606
"945931"	243.030694	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+HCOOH"	44.998194
"362323"	441.063201	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+HCOOH-H"	44.998201
"345998"	455.078851	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Hac-H"	59.013851
"1495405"	257.046351	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Hac-H"	59.013851
"960397"	265.012651	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+NaCOOH"	66.980151
"114408"	233.001902	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2Cl"	69.938804
"553967"	332.018152	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2Cl"	69.938804
"1026417"	133.985652	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2Cl"	69.938804
"1243806"	276.951385	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Br"	78.918885
"1310629"	279.007372	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl+HCOOH"	80.974872
"1323022"	300.989329	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl+NaCOOH"	102.956829
"915174"	311.018086	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+CF3COOH"	112.985586
"1295526"	346.994764	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl+CF3COOH"	148.962264
"1374783"	163.019824	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H-2H2O"	-35.012676
"1384987"	181.0298	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H-H2O"	-17.0027
"284067"	397.072276	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H"	1.007276
"677216"	595.104776	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H"	1.007276
"1353077"	199.039776	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H"	1.007276
"129252"	199.039776	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2H"	2.014552
"574279"	298.056026	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2H"	2.014552
"1044176"	100.023526	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2H"	2.014552
"213173"	133.028942666667	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+3H"	3.021828
"647267"	199.039776	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+3H"	3.021828
"1167939"	67.0181093333333	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+3H"	3.021828
"428663"	414.098823	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+NH4"	18.033823
"788201"	612.131323	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+NH4"	18.033823
"1683437"	216.066323	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+NH4"	18.033823
"330376"	207.5530495	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H+NH4"	19.041099
"723041"	306.5692995	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H+NH4"	19.041099
"1477093"	108.5367995	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+NH4"	19.041099
"395913"	419.054218	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Na"	22.989218
"754720"	617.086718	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+Na"	22.989218
"1605371"	221.021718	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na"	22.989218
"315039"	210.030747	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H+Na"	23.996494
"708193"	309.046997	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H+Na"	23.996494
"1461392"	111.014497	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+Na"	23.996494
"1057448"	74.3454233333333	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2H+Na"	25.00377
"1259127"	231.065986	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+CH3OH+H"	33.033486
"380255"	435.028158	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+K"	38.963158
"743437"	633.060658	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+K"	38.963158
"1540113"	236.995658	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K"	38.963158
"300478"	218.017717	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H+K"	39.970434
"692172"	317.033967	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H+K"	39.970434
"1453282"	119.001467	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+K"	39.970434
"245164"	438.098826	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+ACN+H"	42.033826
"1214229"	240.066326	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+ACN+H"	42.033826
"1195196"	120.536801	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+ACN+2H"	43.041102
"193899"	441.03616	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2Na-H"	44.97116
"637469"	639.06866	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2Na-H"	44.97116
"1142078"	243.00366	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2Na-H"	44.97116
"185370"	221.021718	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2Na"	45.978436
"621648"	320.037968	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2Na"	45.978436
"1124061"	122.005468	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2Na"	45.978436
"1408678"	81.6727373333333	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+2Na"	46.985712
"1439701"	245.045246	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+HCOOH"	47.012746
"222842"	226.05474	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+3H2O+2H"	56.04448
"1511997"	259.09729	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+IsoProp+H"	61.06479
"414962"	229.008688	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Na+K"	61.952376
"779235"	328.024938	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+Na+K"	61.952376
"1671193"	129.992438	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na+K"	61.952376
"262086"	460.080768	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+ACN+Na"	64.015768
"1230790"	262.048268	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+ACN+Na"	64.015768
"1716761"	262.071793	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+NH4+HCOOH"	64.039293
"1182480"	89.0000513333333	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+3Na"	68.967654
"1654558"	267.027188	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na+HCOOH"	68.994688
"160324"	472.98404	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2K-H"	76.91904
"602070"	671.01654	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2K-H"	76.91904
"1084998"	274.95154	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2K-H"	76.91904
"146316"	236.995658	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2K"	77.926316
"584421"	336.011908	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2K"	77.926316
"1070389"	137.979408	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2K"	77.926316
"1101167"	276.966092	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2K+H"	78.933592
"1337799"	277.053707	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+DMSO+H"	79.021207
"1011435"	281.092876	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2ACN+H"	83.060376
"1528468"	282.086508	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+IsoProp+Na+H"	84.054008
"1001854"	141.050076	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2ACN+2H"	84.067652
"1598906"	283.001128	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K+HCOOH"	84.968628
"1427846"	313.032638	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+CF3COOH"	115.000138
"1159227"	161.563351	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+3ACN+2H"	125.094202
"1710965"	330.059185	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+NH4+CF3COOH"	132.026685
"1645523"	335.01458	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na+CF3COOH"	136.98208
"1576800"	350.98852	"C16550"	"Dechloroethylcyclophosphamide;3-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K+CF3COOH"	152.95602
"809353"	278.0354	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M"	0
"975230"	259.01701	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H2O-H"	-19.01839
"67846"	184.349657333333	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-3H"	-3.021828
"504126"	277.028124	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-3H"	-3.021828
"881195"	91.6711906666666	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-3H"	-3.021828
"500"	277.028124	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H"	-2.014552
"441516"	416.045824	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H"	-2.014552
"823327"	138.010424	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H"	-2.014552
"80044"	555.063524	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-H"	-1.007276
"523981"	833.098924	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-H"	-1.007276
"908346"	277.028124	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H"	-1.007276
"55064"	572.090071	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H+NH4"	16.019271
"496812"	850.125471	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H+NH4"	16.019271
"874615"	294.054671	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H+NH4"	16.019271
"40329"	577.045466	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H+Na"	20.974666
"480984"	855.080866	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H+Na"	20.974666
"852224"	299.010066	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H+Na"	20.974666
"1622851"	299.010066	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na-2H"	20.974666
"102659"	295.016463	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-H+Cl"	33.962126
"542219"	434.034163	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-H+Cl"	33.962126
"931367"	155.998763	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+Cl"	33.962126
"267281"	591.040202	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Cl"	34.969402
"660314"	869.075602	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+Cl"	34.969402
"1273407"	313.004802	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl"	34.969402
"16327"	593.019406	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H+K"	36.948606
"465618"	871.054806	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H+K"	36.948606
"841238"	314.984006	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H+K"	36.948606
"1562536"	314.984006	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K-2H"	36.948606
"946041"	323.033594	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+HCOOH"	44.998194
"367540"	601.069001	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+HCOOH-H"	44.998201
"348505"	615.084651	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Hac-H"	59.013851
"1498070"	337.049251	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Hac-H"	59.013851
"963426"	345.015551	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+NaCOOH"	66.980151
"114886"	313.004802	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2Cl"	69.938804
"552986"	452.022502	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2Cl"	69.938804
"1025797"	173.987102	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2Cl"	69.938804
"1243185"	356.954285	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Br"	78.918885
"1308552"	359.010272	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl+HCOOH"	80.974872
"1325684"	380.992229	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl+NaCOOH"	102.956829
"918199"	391.020986	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+CF3COOH"	112.985586
"1292355"	426.997664	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl+CF3COOH"	148.962264
"1371613"	243.022724	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H-2H2O"	-35.012676
"1388014"	261.0327	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H-H2O"	-17.0027
"284784"	557.078076	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H"	1.007276
"676838"	835.113476	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H"	1.007276
"1352823"	279.042676	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H"	1.007276
"128631"	279.042676	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2H"	2.014552
"574389"	418.060376	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2H"	2.014552
"1040272"	140.024976	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2H"	2.014552
"212189"	186.364209333333	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+3H"	3.021828
"650656"	279.042676	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+3H"	3.021828
"1168779"	93.6857426666667	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+3H"	3.021828
"428773"	574.104623	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+NH4"	18.033823
"788673"	852.140023	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+NH4"	18.033823
"1685007"	296.069223	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+NH4"	18.033823
"330206"	287.5559495	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H+NH4"	19.041099
"722878"	426.5736495	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H+NH4"	19.041099
"1478070"	148.5382495	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+NH4"	19.041099
"396023"	579.060018	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Na"	22.989218
"757020"	857.095418	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+Na"	22.989218
"1604023"	301.024618	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na"	22.989218
"317342"	290.033647	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H+Na"	23.996494
"707818"	429.051347	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H+Na"	23.996494
"1461441"	151.015947	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+Na"	23.996494
"1057194"	101.013056666667	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2H+Na"	25.00377
"1260696"	311.068886	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+CH3OH+H"	33.033486
"382552"	595.033958	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+K"	38.963158
"747921"	873.069358	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+K"	38.963158
"1543414"	316.998558	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K"	38.963158
"301684"	298.020617	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H+K"	39.970434
"694833"	437.038317	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H+K"	39.970434
"1453392"	159.002917	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+K"	39.970434
"245274"	598.104626	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+ACN+H"	42.033826
"1215067"	320.069226	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+ACN+H"	42.033826
"1202961"	160.538251	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+ACN+2H"	43.041102
"193279"	601.04196	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2Na-H"	44.97116
"634299"	879.07736	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2Na-H"	44.97116
"1145106"	323.00656	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2Na-H"	44.97116
"185480"	301.024618	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2Na"	45.978436
"623581"	440.042318	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2Na"	45.978436
"1122714"	162.006918	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2Na"	45.978436
"1409518"	108.340370666667	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+2Na"	46.985712
"1443456"	325.048146	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+HCOOH"	47.012746
"231700"	306.05764	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+3H2O+2H"	56.04448
"1516482"	339.10019	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+IsoProp+H"	61.06479
"418354"	309.011588	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Na+K"	61.952376
"778617"	448.029288	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+Na+K"	61.952376
"1669117"	169.993888	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na+K"	61.952376
"257823"	620.086568	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+ACN+Na"	64.015768
"1229443"	342.051168	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+ACN+Na"	64.015768
"1716871"	342.074693	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+NH4+HCOOH"	64.039293
"1182955"	115.667684666667	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+3Na"	68.967654
"1653211"	347.030088	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na+HCOOH"	68.994688
"162622"	632.98984	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2K-H"	76.91904
"602181"	911.02524	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2K-H"	76.91904
"1086693"	354.95444	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2K-H"	76.91904
"144969"	316.998558	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2K"	77.926316
"584895"	456.016258	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2K"	77.926316
"1069284"	177.980858	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2K"	77.926316
"1101522"	356.968992	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2K+H"	78.933592
"1338030"	357.056607	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+DMSO+H"	79.021207
"1012273"	361.095776	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2ACN+H"	83.060376
"1530400"	362.089408	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+IsoProp+Na+H"	84.054008
"1004151"	181.051526	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2ACN+2H"	84.067652
"1600112"	363.004028	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K+HCOOH"	84.968628
"1427958"	393.035538	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+CF3COOH"	115.000138
"1161526"	201.564801	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+3ACN+2H"	125.094202
"1711075"	410.062085	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+NH4+CF3COOH"	132.026685
"1648914"	415.01748	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na+CF3COOH"	136.98208
"1580190"	430.99142	"C16551"	"Alcophosphamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K+CF3COOH"	152.95602
"807275"	141.0112	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M"	0
"975340"	121.99281	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-H2O-H"	-19.01839
"66863"	93.0001906666667	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M-3H"	-3.021828
"502956"	140.003924	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M-3H"	-3.021828
"880942"	45.9964573333333	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-3H"	-3.021828
"610"	140.003924	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M-2H"	-2.014552
"441987"	210.509524	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M-2H"	-2.014552
"818698"	69.498324	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-2H"	-2.014552
"80154"	281.015124	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M-H"	-1.007276
"525184"	422.026324	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M-H"	-1.007276
"909065"	140.003924	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-H"	-1.007276
"56268"	298.041671	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M-2H+NH4"	16.019271
"496922"	439.052871	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M-2H+NH4"	16.019271
"874725"	157.030471	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-2H+NH4"	16.019271
"40439"	302.997066	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M-2H+Na"	20.974666
"481094"	444.008266	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M-2H+Na"	20.974666
"852334"	161.985866	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-2H+Na"	20.974666
"1622961"	161.985866	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Na-2H"	20.974666
"101677"	157.992263	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M-H+Cl"	33.962126
"543425"	228.497863	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M-H+Cl"	33.962126
"931477"	87.486663	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-H+Cl"	33.962126
"267557"	316.991802	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+Cl"	34.969402
"660261"	458.003002	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+Cl"	34.969402
"1277041"	175.980602	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Cl"	34.969402
"16478"	318.971006	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M-2H+K"	36.948606
"461354"	459.982206	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M-2H+K"	36.948606
"834781"	177.959806	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-2H+K"	36.948606
"1555873"	177.959806	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+K-2H"	36.948606
"944693"	186.009394	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-H+HCOOH"	44.998194
"365463"	327.020601	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+HCOOH-H"	44.998201
"347885"	341.036251	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+Hac-H"	59.013851
"1497816"	200.025051	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Hac-H"	59.013851
"962808"	207.991351	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-H+NaCOOH"	66.980151
"114996"	175.980602	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+2Cl"	69.938804
"554188"	246.486202	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+2Cl"	69.938804
"1022991"	105.475002	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2Cl"	69.938804
"1242568"	219.930085	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Br"	78.918885
"1307933"	221.986072	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Cl+HCOOH"	80.974872
"1325793"	243.968029	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Cl+NaCOOH"	102.956829
"915029"	253.996786	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M-H+CF3COOH"	112.985586
"1289548"	289.973464	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Cl+CF3COOH"	148.962264
"1369170"	105.998524	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H-2H2O"	-35.012676
"1384478"	124.0085	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H-H2O"	-17.0027
"283920"	283.029676	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+H"	1.007276
"675974"	424.040876	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+H"	1.007276
"1351708"	142.018476	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H"	1.007276
"128012"	142.018476	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+2H"	2.014552
"571220"	212.524076	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+2H"	2.014552
"1040382"	71.512876	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2H"	2.014552
"212299"	95.0147426666667	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+3H"	3.021828
"652953"	142.018476	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+3H"	3.021828
"1171078"	48.0110093333333	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+3H"	3.021828
"428885"	300.056223	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+NH4"	18.033823
"789878"	441.067423	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+NH4"	18.033823
"1688397"	159.045023	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+NH4"	18.033823
"330602"	150.5317495	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+H+NH4"	19.041099
"723020"	221.0373495	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+H+NH4"	19.041099
"1478057"	80.0261495	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H+NH4"	19.041099
"396133"	305.011618	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+Na"	22.989218
"758223"	446.022818	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+Na"	22.989218
"1603889"	164.000418	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Na"	22.989218
"317452"	153.009447	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+H+Na"	23.996494
"707928"	223.515047	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+H+Na"	23.996494
"1461414"	82.503847	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H+Na"	23.996494
"1056940"	55.3383233333333	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2H+Na"	25.00377
"1260806"	174.044686	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+CH3OH+H"	33.033486
"382662"	320.985558	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+K"	38.963158
"748031"	461.996758	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+K"	38.963158
"1546804"	179.974358	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+K"	38.963158
"304344"	160.996417	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+H+K"	39.970434
"700412"	231.502017	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+H+K"	39.970434
"1455689"	90.490817	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H+K"	39.970434
"245384"	324.056226	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+ACN+H"	42.033826
"1215177"	183.045026	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+ACN+H"	42.033826
"1203071"	92.026151	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+ACN+2H"	43.041102
"194483"	326.99356	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+2Na-H"	44.97116
"637689"	468.00476	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+2Na-H"	44.97116
"1144124"	185.98236	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2Na-H"	44.97116
"185592"	164.000418	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+2Na"	45.978436
"623327"	234.506018	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+2Na"	45.978436
"1124646"	93.494818	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2Na"	45.978436
"1411451"	62.6656373333333	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H+2Na"	46.985712
"1444539"	188.023946	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H+HCOOH"	47.012746
"228530"	169.03344	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+3H2O+2H"	56.04448
"1517685"	202.07599	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+IsoProp+H"	61.06479
"412997"	171.987388	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+Na+K"	61.952376
"776904"	242.492988	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+Na+K"	61.952376
"1669226"	101.481788	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Na+K"	61.952376
"257934"	346.038168	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+ACN+Na"	64.015768
"1228095"	205.026968	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+ACN+Na"	64.015768
"1718076"	205.050493	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+NH4+HCOOH"	64.039293
"1181606"	69.9929513333333	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+3Na"	68.967654
"1654051"	210.005888	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Na+HCOOH"	68.994688
"163096"	358.94144	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+2K-H"	76.91904
"602291"	499.95264	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+2K-H"	76.91904
"1087897"	217.93024	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2K-H"	76.91904
"145079"	179.974358	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"2M+2K"	77.926316
"584641"	250.479958	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"3M+2K"	77.926316
"1069758"	109.468758	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2K"	77.926316
"1102361"	219.944792	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2K+H"	78.933592
"1337655"	220.032407	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+DMSO+H"	79.021207
"1011290"	224.071576	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2ACN+H"	83.060376
"1529417"	225.065208	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+IsoProp+Na+H"	84.054008
"1002438"	112.539426	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+2ACN+2H"	84.067652
"1601315"	225.979828	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+K+HCOOH"	84.968628
"1426975"	256.011338	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+H+CF3COOH"	115.000138
"1162689"	133.052701	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+3ACN+2H"	125.094202
"1711185"	273.037885	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+NH4+CF3COOH"	132.026685
"1649024"	277.99328	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+Na+CF3COOH"	136.98208
"1580300"	293.96722	"C16552"	"Nornitrogen mustard"	"C4H9Cl2N"	"141.0112"	"M+K+CF3COOH"	152.95602
"807385"	276.0197	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M"	0
"975571"	257.00131	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H2O-H"	-19.01839
"63935"	183.005857333333	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-3H"	-3.021828
"505438"	275.012424	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-3H"	-3.021828
"887612"	90.9992906666667	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-3H"	-3.021828
"5093"	275.012424	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H"	-2.014552
"445746"	413.022274	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H"	-2.014552
"827921"	137.002574	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H"	-2.014552
"80020"	551.032124	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H"	-1.007276
"524201"	827.051824	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H"	-1.007276
"909417"	275.012424	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H"	-1.007276
"54191"	568.058671	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+NH4"	16.019271
"497032"	844.078371	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+NH4"	16.019271
"877022"	292.038971	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+NH4"	16.019271
"41642"	573.014066	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+Na"	20.974666
"485336"	849.033766	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+Na"	20.974666
"857911"	296.994366	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+Na"	20.974666
"1629631"	296.994366	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na-2H"	20.974666
"106160"	293.000763	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H+Cl"	33.962126
"544628"	431.010613	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H+Cl"	33.962126
"930494"	154.990913	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+Cl"	33.962126
"269048"	587.008802	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Cl"	34.969402
"669122"	863.028502	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Cl"	34.969402
"1280431"	310.989102	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl"	34.969402
"21896"	588.988006	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+K"	36.948606
"464746"	865.007706	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+K"	36.948606
"840361"	312.968306	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+K"	36.948606
"1561660"	312.968306	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K-2H"	36.948606
"949543"	321.017894	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+HCOOH"	44.998194
"367760"	597.037601	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+HCOOH-H"	44.998201
"351642"	611.053251	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Hac-H"	59.013851
"1497194"	335.033551	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Hac-H"	59.013851
"965830"	342.999851	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+NaCOOH"	66.980151
"115102"	310.989102	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Cl"	69.938804
"555391"	448.998952	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Cl"	69.938804
"1023465"	172.979252	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Cl"	69.938804
"1246324"	354.938585	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Br"	78.918885
"1316062"	356.994572	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+HCOOH"	80.974872
"1329184"	378.976529	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+NaCOOH"	102.956829
"921336"	389.005286	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+CF3COOH"	112.985586
"1292575"	424.981964	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+CF3COOH"	148.962264
"1376207"	241.007024	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-2H2O"	-35.012676
"1394795"	259.017	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-H2O"	-17.0027
"293387"	553.046676	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H"	1.007276
"685809"	829.066376	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H"	1.007276
"1363251"	277.026976	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H"	1.007276
"137234"	277.026976	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2H"	2.014552
"572423"	415.036826	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2H"	2.014552
"1041221"	139.017126	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H"	2.014552
"208032"	185.020409333333	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H"	3.021828
"650871"	277.026976	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+3H"	3.021828
"1170086"	93.0138426666667	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3H"	3.021828
"431182"	570.073223	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+NH4"	18.033823
"792176"	846.092923	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+NH4"	18.033823
"1689600"	294.053523	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4"	18.033823
"332049"	285.5402495	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+NH4"	19.041099
"724103"	423.5500995	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+NH4"	19.041099
"1479384"	147.5303995	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+NH4"	19.041099
"401710"	575.028618	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na"	22.989218
"759423"	851.048318	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na"	22.989218
"1606431"	299.008918	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na"	22.989218
"317562"	288.017947	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+Na"	23.996494
"712170"	426.027797	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+Na"	23.996494
"1465990"	150.008097	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+Na"	23.996494
"1059237"	100.341156666667	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H+Na"	25.00377
"1260916"	309.053186	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+CH3OH+H"	33.033486
"389332"	591.002558	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+K"	38.963158
"751421"	867.022258	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+K"	38.963158
"1546914"	314.982858	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K"	38.963158
"305182"	296.004917	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+K"	39.970434
"699792"	434.014767	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+K"	39.970434
"1454704"	157.995067	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+K"	39.970434
"247682"	594.073226	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+H"	42.033826
"1219295"	318.053526	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+H"	42.033826
"1204274"	159.530401	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+2H"	43.041102
"197144"	597.01056	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na-H"	44.97116
"637435"	873.03026	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na-H"	44.97116
"1142409"	320.99086	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na-H"	44.97116
"185701"	299.008918	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na"	45.978436
"620157"	437.018768	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na"	45.978436
"1118923"	160.999068	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na"	45.978436
"1406457"	107.668470666667	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+2Na"	46.985712
"1440760"	323.032446	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+HCOOH"	47.012746
"225359"	304.04194	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H2O+2H"	56.04448
"1516701"	337.08449	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+H"	61.06479
"414200"	306.995888	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na+K"	61.952376
"775191"	445.005738	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na+K"	61.952376
"1668971"	168.986038	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+K"	61.952376
"258042"	616.055168	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+Na"	64.015768
"1227840"	340.035468	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+Na"	64.015768
"1714539"	340.058993	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+HCOOH"	64.039293
"1179526"	114.995784666667	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3Na"	68.967654
"1652337"	345.014388	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+HCOOH"	68.994688
"159926"	628.95844	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K-H"	76.91904
"603494"	904.97814	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K-H"	76.91904
"1089100"	352.93874	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K-H"	76.91904
"143731"	314.982858	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K"	77.926316
"584386"	452.992708	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K"	77.926316
"1069746"	176.973008	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K"	77.926316
"1102836"	354.953292	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K+H"	78.933592
"1338858"	355.040907	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+DMSO+H"	79.021207
"1010307"	359.080076	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+H"	83.060376
"1527704"	360.073708	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+Na+H"	84.054008
"1001454"	180.043676	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+2H"	84.067652
"1599238"	360.988328	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+HCOOH"	84.968628
"1424899"	391.019838	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+CF3COOH"	115.000138
"1161746"	200.556951	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3ACN+2H"	125.094202
"1711295"	408.046385	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+CF3COOH"	132.026685
"1645854"	413.00178	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+CF3COOH"	136.98208
"1580410"	428.97572	"C16553"	"4-Hydroxyifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+CF3COOH"	152.95602
"807495"	274.0041	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M"	0
"976288"	254.98571	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H2O-H"	-19.01839
"65260"	181.662124	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-3H"	-3.021828
"505549"	272.996824	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-3H"	-3.021828
"888816"	90.327424	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-3H"	-3.021828
"4111"	272.996824	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H"	-2.014552
"443304"	409.998874	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H"	-2.014552
"819648"	135.994774	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H"	-2.014552
"79523"	547.000924	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-H"	-1.007276
"524311"	821.005024	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-H"	-1.007276
"911231"	272.996824	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H"	-1.007276
"54301"	564.027471	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H+NH4"	16.019271
"497142"	838.031571	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H+NH4"	16.019271
"877132"	290.023371	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H+NH4"	16.019271
"41752"	568.982866	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H+Na"	20.974666
"486660"	842.986966	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H+Na"	20.974666
"858021"	294.978766	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H+Na"	20.974666
"1629741"	294.978766	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na-2H"	20.974666
"106270"	290.985163	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-H+Cl"	33.962126
"544738"	427.987213	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-H+Cl"	33.962126
"931697"	153.983113	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+Cl"	33.962126
"269523"	582.977602	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Cl"	34.969402
"671419"	856.981702	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+Cl"	34.969402
"1280541"	308.973502	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl"	34.969402
"22006"	584.956806	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M-2H+K"	36.948606
"462666"	858.960906	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M-2H+K"	36.948606
"840470"	310.952706	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-2H+K"	36.948606
"1561770"	310.952706	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K-2H"	36.948606
"950746"	319.002294	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+HCOOH"	44.998194
"367870"	593.006401	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+HCOOH-H"	44.998201
"348470"	607.022051	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Hac-H"	59.013851
"1497303"	333.017951	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Hac-H"	59.013851
"964846"	340.984251	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+NaCOOH"	66.980151
"115576"	308.973502	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2Cl"	69.938804
"555501"	445.975552	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2Cl"	69.938804
"1023574"	171.971452	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2Cl"	69.938804
"1247527"	352.922985	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Br"	78.918885
"1313986"	354.978972	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl+HCOOH"	80.974872
"1330387"	376.960929	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl+NaCOOH"	102.956829
"917071"	386.989686	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M-H+CF3COOH"	112.985586
"1293413"	422.966364	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Cl+CF3COOH"	148.962264
"1373037"	238.991424	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H-2H2O"	-35.012676
"1392719"	257.0014	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H-H2O"	-17.0027
"292405"	549.015476	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H"	1.007276
"684824"	823.019576	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H"	1.007276
"1357893"	275.011376	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H"	1.007276
"128593"	275.011376	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2H"	2.014552
"572532"	412.013426	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2H"	2.014552
"1039508"	138.009326	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2H"	2.014552
"207046"	183.676676	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+3H"	3.021828
"649886"	275.011376	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+3H"	3.021828
"1165820"	92.341976	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+3H"	3.021828
"428012"	566.042023	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+NH4"	18.033823
"790099"	840.046123	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+NH4"	18.033823
"1685700"	292.037923	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+NH4"	18.033823
"331795"	283.5246495	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H+NH4"	19.041099
"723605"	420.5266995	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H+NH4"	19.041099
"1479856"	146.5225995	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+NH4"	19.041099
"395623"	570.997418	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Na"	22.989218
"756615"	845.001518	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+Na"	22.989218
"1605079"	296.993318	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na"	22.989218
"319859"	286.002347	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H+Na"	23.996494
"712279"	423.004397	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H+Na"	23.996494
"1462573"	149.000297	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+Na"	23.996494
"1056065"	99.66929	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2H+Na"	25.00377
"1263212"	307.037586	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+CH3OH+H"	33.033486
"389442"	586.971358	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+K"	38.963158
"744970"	860.975458	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+K"	38.963158
"1545931"	312.967258	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K"	38.963158
"305293"	293.989317	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+H+K"	39.970434
"696985"	430.991367	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+H+K"	39.970434
"1454815"	156.987267	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+K"	39.970434
"243417"	590.042026	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+ACN+H"	42.033826
"1216127"	316.037926	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+ACN+H"	42.033826
"1202194"	158.522601	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+ACN+2H"	43.041102
"195064"	592.97936	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2Na-H"	44.97116
"630983"	866.98346	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2Na-H"	44.97116
"1134860"	318.97526	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2Na-H"	44.97116
"180340"	296.993318	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2Na"	45.978436
"623178"	433.995368	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2Na"	45.978436
"1122311"	159.991268	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2Na"	45.978436
"1408022"	106.996604	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+2Na"	46.985712
"1439045"	321.016846	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+HCOOH"	47.012746
"221210"	302.02634	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+3H2O+2H"	56.04448
"1513524"	335.06889	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+IsoProp+H"	61.06479
"413211"	304.980288	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+Na+K"	61.952376
"773477"	441.982338	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+Na+K"	61.952376
"1673817"	167.978238	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na+K"	61.952376
"254142"	612.023968	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+ACN+Na"	64.015768
"1227583"	338.019868	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+ACN+Na"	64.015768
"1717563"	338.043393	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+NH4+HCOOH"	64.039293
"1179145"	114.323918	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+3Na"	68.967654
"1650213"	342.998788	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na+HCOOH"	68.994688
"159671"	624.92724	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2K-H"	76.91904
"599231"	898.93134	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2K-H"	76.91904
"1089211"	350.92314	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2K-H"	76.91904
"142016"	312.967258	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"2M+2K"	77.926316
"582179"	449.969308	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"3M+2K"	77.926316
"1069127"	175.965208	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2K"	77.926316
"1101366"	352.937692	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2K+H"	78.933592
"1338239"	353.025307	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+DMSO+H"	79.021207
"1007862"	357.064476	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2ACN+H"	83.060376
"1527448"	358.058108	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+IsoProp+Na+H"	84.054008
"1001562"	179.035876	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+2ACN+2H"	84.067652
"1592782"	358.972728	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K+HCOOH"	84.968628
"1423910"	389.004238	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+H+CF3COOH"	115.000138
"1154200"	199.549151	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+3ACN+2H"	125.094202
"1702657"	406.030785	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+NH4+CF3COOH"	132.026685
"1642683"	410.98618	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+Na+CF3COOH"	136.98208
"1577240"	426.96012	"C16554"	"4-Ketoifosfamide"	"C7H13Cl2N2O3P"	"274.0041"	"M+K+CF3COOH"	152.95602
"807605"	198.0325	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M"	0
"975670"	179.01411	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H2O-H"	-19.01839
"65006"	131.014390666667	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-3H"	-3.021828
"504564"	197.025224	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-3H"	-3.021828
"888926"	65.0035573333333	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-3H"	-3.021828
"6407"	197.025224	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H"	-2.014552
"443779"	296.041474	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H"	-2.014552
"822674"	98.008974	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H"	-2.014552
"78663"	395.057724	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-H"	-1.007276
"522234"	593.090224	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-H"	-1.007276
"911059"	197.025224	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H"	-1.007276
"51859"	412.084271	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H+NH4"	16.019271
"496159"	610.116771	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H+NH4"	16.019271
"876148"	214.051771	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H+NH4"	16.019271
"41862"	417.039666	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H+Na"	20.974666
"486770"	615.072166	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H+Na"	20.974666
"859224"	219.007166	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H+Na"	20.974666
"1629851"	219.007166	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na-2H"	20.974666
"109296"	215.013563	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-H+Cl"	33.962126
"544848"	314.029813	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-H+Cl"	33.962126
"930714"	115.997313	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+Cl"	33.962126
"268782"	431.034402	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Cl"	34.969402
"670436"	629.066902	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+Cl"	34.969402
"1280651"	233.001902	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl"	34.969402
"23209"	433.013606	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M-2H+K"	36.948606
"466054"	631.046106	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M-2H+K"	36.948606
"842763"	234.981106	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-2H+K"	36.948606
"1565160"	234.981106	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K-2H"	36.948606
"949763"	243.030694	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+HCOOH"	44.998194
"370167"	441.063201	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+HCOOH-H"	44.998201
"349674"	455.078851	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Hac-H"	59.013851
"1499600"	257.046351	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Hac-H"	59.013851
"967143"	265.012651	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+NaCOOH"	66.980151
"116051"	233.001902	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2Cl"	69.938804
"556704"	332.018152	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2Cl"	69.938804
"1022590"	133.985652	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2Cl"	69.938804
"1246544"	276.951385	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Br"	78.918885
"1314096"	279.007372	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl+HCOOH"	80.974872
"1330497"	300.989329	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl+NaCOOH"	102.956829
"917181"	311.018086	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M-H+CF3COOH"	112.985586
"1293887"	346.994764	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Cl+CF3COOH"	148.962264
"1376427"	163.019824	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H-2H2O"	-35.012676
"1392829"	181.0298	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H-H2O"	-17.0027
"291420"	397.072276	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H"	1.007276
"682747"	595.104776	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H"	1.007276
"1359096"	199.039776	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H"	1.007276
"128339"	199.039776	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2H"	2.014552
"568267"	298.056026	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2H"	2.014552
"1042533"	100.023526	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2H"	2.014552
"206063"	133.028942666667	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+3H"	3.021828
"648902"	199.039776	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+3H"	3.021828
"1165565"	67.0181093333333	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+3H"	3.021828
"431402"	414.098823	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+NH4"	18.033823
"794583"	612.131323	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+NH4"	18.033823
"1687633"	216.066323	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+NH4"	18.033823
"333728"	207.5530495	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H+NH4"	19.041099
"725055"	306.5692995	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H+NH4"	19.041099
"1479602"	108.5367995	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+NH4"	19.041099
"395369"	419.054218	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Na"	22.989218
"755634"	617.086718	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+Na"	22.989218
"1603406"	221.021718	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na"	22.989218
"314861"	210.030747	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H+Na"	23.996494
"708500"	309.046997	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H+Na"	23.996494
"1464020"	111.014497	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+Na"	23.996494
"1056175"	74.3454233333333	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2H+Na"	25.00377
"1263323"	231.065986	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+CH3OH+H"	33.033486
"381897"	435.028158	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+K"	38.963158
"745080"	633.060658	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+K"	38.963158
"1547134"	236.995658	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K"	38.963158
"306496"	218.017717	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+H+K"	39.970434
"695638"	317.033967	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+H+K"	39.970434
"1454925"	119.001467	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+K"	39.970434
"246807"	438.098826	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+ACN+H"	42.033826
"1216237"	240.066326	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+ACN+H"	42.033826
"1202304"	120.536801	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+ACN+2H"	43.041102
"195174"	441.03616	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2Na-H"	44.97116
"631822"	639.06866	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2Na-H"	44.97116
"1132417"	243.00366	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2Na-H"	44.97116
"184824"	221.021718	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2Na"	45.978436
"622195"	320.037968	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2Na"	45.978436
"1123515"	122.005468	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2Na"	45.978436
"1407767"	81.6727373333333	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+2Na"	46.985712
"1438061"	245.045246	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+HCOOH"	47.012746
"220344"	226.05474	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+3H2O+2H"	56.04448
"1512177"	259.09729	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+IsoProp+H"	61.06479
"413323"	229.008688	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+Na+K"	61.952376
"774318"	328.024938	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+Na+K"	61.952376
"1670647"	129.992438	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na+K"	61.952376
"255709"	460.080768	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+ACN+Na"	64.015768
"1230972"	262.048268	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+ACN+Na"	64.015768
"1716579"	262.071793	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+NH4+HCOOH"	64.039293
"1182300"	89.0000513333333	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+3Na"	68.967654
"1650041"	267.027188	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na+HCOOH"	68.994688
"159052"	472.98404	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2K-H"	76.91904
"599341"	671.01654	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2K-H"	76.91904
"1087134"	274.95154	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2K-H"	76.91904
"142489"	236.995658	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"2M+2K"	77.926316
"581928"	336.011908	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"3M+2K"	77.926316
"1069480"	137.979408	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2K"	77.926316
"1100745"	276.966092	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2K+H"	78.933592
"1337620"	277.053707	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+DMSO+H"	79.021207
"1007972"	281.092876	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2ACN+H"	83.060376
"1526100"	282.086508	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+IsoProp+Na+H"	84.054008
"1000577"	141.050076	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+2ACN+2H"	84.067652
"1591799"	283.001128	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K+HCOOH"	84.968628
"1417458"	313.032638	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+H+CF3COOH"	115.000138
"1154310"	161.563351	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+3ACN+2H"	125.094202
"1708235"	330.059185	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+NH4+CF3COOH"	132.026685
"1642793"	335.01458	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+Na+CF3COOH"	136.98208
"1577350"	350.98852	"C16555"	"2-Dechloroethylifosfamide"	"C5H12ClN2O2P"	"198.0325"	"M+K+CF3COOH"	152.95602
"810997"	276.0197	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M"	0
"983437"	257.00131	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H2O-H"	-19.01839
"65117"	183.005857333333	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-3H"	-3.021828
"504676"	275.012424	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-3H"	-3.021828
"881746"	90.9992906666667	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-3H"	-3.021828
"3236"	275.012424	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H"	-2.014552
"441457"	413.022274	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H"	-2.014552
"818406"	137.002574	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H"	-2.014552
"80344"	551.032124	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H"	-1.007276
"522344"	827.051824	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H"	-1.007276
"907802"	275.012424	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H"	-1.007276
"60361"	568.058671	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+NH4"	16.019271
"501985"	844.078371	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+NH4"	16.019271
"872978"	292.038971	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+NH4"	16.019271
"40881"	573.014066	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+Na"	20.974666
"478253"	849.033766	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+Na"	20.974666
"856055"	296.994366	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+Na"	20.974666
"1623401"	296.994366	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na-2H"	20.974666
"103209"	293.000763	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-H+Cl"	33.962126
"536209"	431.010613	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-H+Cl"	33.962126
"937385"	154.990913	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+Cl"	33.962126
"271567"	587.008802	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Cl"	34.969402
"662894"	863.028502	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Cl"	34.969402
"1277484"	310.989102	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl"	34.969402
"25507"	588.988006	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M-2H+K"	36.948606
"467258"	865.007706	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M-2H+K"	36.948606
"841779"	312.968306	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-2H+K"	36.948606
"1563083"	312.968306	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K-2H"	36.948606
"950966"	321.017894	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+HCOOH"	44.998194
"368091"	597.037601	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+HCOOH-H"	44.998201
"349784"	611.053251	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Hac-H"	59.013851
"1499711"	335.033551	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Hac-H"	59.013851
"966160"	342.999851	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+NaCOOH"	66.980151
"115431"	310.989102	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Cl"	69.938804
"557907"	448.998952	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Cl"	69.938804
"1024159"	172.979252	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Cl"	69.938804
"1243740"	354.938585	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Br"	78.918885
"1306916"	356.994572	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+HCOOH"	80.974872
"1325142"	378.976529	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+NaCOOH"	102.956829
"917294"	389.005286	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M-H+CF3COOH"	112.985586
"1297282"	424.981964	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Cl+CF3COOH"	148.962264
"1369249"	241.007024	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-2H2O"	-35.012676
"1392941"	259.017	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H-H2O"	-17.0027
"292624"	553.046676	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H"	1.007276
"682857"	829.066376	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H"	1.007276
"1351791"	277.026976	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H"	1.007276
"134283"	277.026976	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2H"	2.014552
"568377"	415.036826	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2H"	2.014552
"1041550"	139.017126	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H"	2.014552
"206537"	185.020409333333	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H"	3.021828
"649012"	277.026976	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+3H"	3.021828
"1166404"	93.0138426666667	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3H"	3.021828
"428232"	570.073223	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+NH4"	18.033823
"793600"	846.092923	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+NH4"	18.033823
"1685192"	294.053523	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4"	18.033823
"330309"	285.5402495	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+NH4"	19.041099
"723704"	423.5500995	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+NH4"	19.041099
"1478011"	147.5303995	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+NH4"	19.041099
"394750"	575.028618	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na"	22.989218
"755378"	851.048318	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na"	22.989218
"1602863"	299.008918	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na"	22.989218
"314607"	288.017947	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+Na"	23.996494
"707757"	426.027797	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+Na"	23.996494
"1461377"	150.008097	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+Na"	23.996494
"1058472"	100.341156666667	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2H+Na"	25.00377
"1260152"	309.053186	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+CH3OH+H"	33.033486
"379821"	591.002558	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+K"	38.963158
"741910"	867.022258	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+K"	38.963158
"1542870"	314.982858	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K"	38.963158
"303326"	296.004917	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+H+K"	39.970434
"692103"	434.014767	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+H+K"	39.970434
"1452848"	157.995067	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+K"	39.970434
"241450"	594.073226	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+H"	42.033826
"1214159"	318.053526	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+H"	42.033826
"1198041"	159.530401	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+2H"	43.041102
"194190"	597.01056	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na-H"	44.97116
"630837"	873.03026	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na-H"	44.97116
"1138363"	320.99086	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na-H"	44.97116
"185299"	299.008918	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2Na"	45.978436
"623398"	437.018768	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2Na"	45.978436
"1126905"	160.999068	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2Na"	45.978436
"1408241"	107.668470666667	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+2Na"	46.985712
"1439264"	323.032446	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+HCOOH"	47.012746
"220701"	304.04194	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+3H2O+2H"	56.04448
"1513746"	337.08449	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+H"	61.06479
"416713"	306.995888	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+Na+K"	61.952376
"771024"	445.005738	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+Na+K"	61.952376
"1672945"	168.986038	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+K"	61.952376
"256190"	616.055168	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+ACN+Na"	64.015768
"1227804"	340.035468	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+ACN+Na"	64.015768
"1717782"	340.058993	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+HCOOH"	64.039293
"1185326"	114.995784666667	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3Na"	68.967654
"1650111"	345.014388	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+HCOOH"	68.994688
"157705"	628.95844	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K-H"	76.91904
"600182"	904.97814	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K-H"	76.91904
"1086878"	352.93874	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K-H"	76.91904
"142358"	314.982858	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"2M+2K"	77.926316
"583263"	452.992708	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"3M+2K"	77.926316
"1071786"	176.973008	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K"	77.926316
"1101710"	354.953292	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2K+H"	78.933592
"1336638"	355.040907	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+DMSO+H"	79.021207
"1005896"	359.080076	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+H"	83.060376
"1528768"	360.073708	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+IsoProp+Na+H"	84.054008
"1001781"	180.043676	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+2ACN+2H"	84.067652
"1597381"	360.988328	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+HCOOH"	84.968628
"1427414"	391.019838	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+H+CF3COOH"	115.000138
"1157701"	200.556951	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+3ACN+2H"	125.094202
"1702878"	408.046385	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+NH4+CF3COOH"	132.026685
"1642903"	413.00178	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+Na+CF3COOH"	136.98208
"1577460"	428.97572	"C16556"	"Aldoifosfamide"	"C7H15Cl2N2O3P"	"276.0197"	"M+K+CF3COOH"	152.95602
"814387"	292.0146	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M"	0
"983547"	272.99621	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H2O-H"	-19.01839
"65227"	193.669124	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-3H"	-3.021828
"504786"	291.007324	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-3H"	-3.021828
"884771"	96.330924	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-3H"	-3.021828
"3347"	291.007324	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H"	-2.014552
"442906"	437.014624	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H"	-2.014552
"817909"	145.000024	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H"	-2.014552
"79848"	583.021924	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-H"	-1.007276
"522454"	875.036524	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-H"	-1.007276
"907548"	291.007324	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H"	-1.007276
"50621"	600.048471	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H+NH4"	16.019271
"500635"	892.063071	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H+NH4"	16.019271
"873088"	308.033871	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H+NH4"	16.019271
"40989"	605.003866	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H+Na"	20.974666
"481643"	897.018466	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H+Na"	20.974666
"852885"	312.989266	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H+Na"	20.974666
"1623511"	312.989266	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na-2H"	20.974666
"96759"	308.995663	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-H+Cl"	33.962126
"537412"	455.002963	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-H+Cl"	33.962126
"937495"	162.988363	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+Cl"	33.962126
"271677"	618.998602	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Cl"	34.969402
"664097"	911.013202	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+Cl"	34.969402
"1281967"	326.984002	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl"	34.969402
"25616"	620.977806	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M-2H+K"	36.948606
"466275"	912.992406	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M-2H+K"	36.948606
"840796"	328.963206	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-2H+K"	36.948606
"1563193"	328.963206	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K-2H"	36.948606
"947795"	337.012794	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+HCOOH"	44.998194
"366010"	629.027401	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+HCOOH-H"	44.998201
"349894"	643.043051	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Hac-H"	59.013851
"1499821"	351.028451	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Hac-H"	59.013851
"967363"	358.994751	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+NaCOOH"	66.980151
"115177"	326.984002	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2Cl"	69.938804
"556924"	472.991302	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2Cl"	69.938804
"1025364"	180.976702	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2Cl"	69.938804
"1243122"	370.933485	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Br"	78.918885
"1308850"	372.989472	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl+HCOOH"	80.974872
"1324523"	394.971429	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl+NaCOOH"	102.956829
"913758"	405.000186	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M-H+CF3COOH"	112.985586
"1296299"	440.976864	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Cl+CF3COOH"	148.962264
"1374461"	257.001924	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H-2H2O"	-35.012676
"1393048"	275.0119	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H-H2O"	-17.0027
"292733"	585.036476	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H"	1.007276
"678956"	877.051076	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H"	1.007276
"1352024"	293.021876	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H"	1.007276
"128196"	293.021876	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2H"	2.014552
"568850"	439.029176	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2H"	2.014552
"1041660"	147.014576	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2H"	2.014552
"210653"	195.683676	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+3H"	3.021828
"646935"	293.021876	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+3H"	3.021828
"1167244"	98.345476	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+3H"	3.021828
"429435"	602.063023	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+NH4"	18.033823
"795533"	894.077623	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+NH4"	18.033823
"1687853"	310.048423	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+NH4"	18.033823
"330542"	301.5351495	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H+NH4"	19.041099
"724421"	447.5424495	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H+NH4"	19.041099
"1478364"	155.5278495	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+NH4"	19.041099
"395224"	607.018418	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Na"	22.989218
"756580"	899.033018	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+Na"	22.989218
"1603463"	315.003818	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na"	22.989218
"316903"	304.012847	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H+Na"	23.996494
"707295"	450.020147	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H+Na"	23.996494
"1462171"	158.005547	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+Na"	23.996494
"1057489"	105.67279	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2H+Na"	25.00377
"1259165"	325.048086	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+CH3OH+H"	33.033486
"379197"	622.992358	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+K"	38.963158
"739954"	915.006958	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+K"	38.963158
"1541887"	330.977758	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K"	38.963158
"300520"	311.999817	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+H+K"	39.970434
"691461"	458.007117	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+H+K"	39.970434
"1448948"	165.992517	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+K"	39.970434
"239373"	626.063026	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+ACN+H"	42.033826
"1213173"	334.048426	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+ACN+H"	42.033826
"1197057"	167.527851	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+ACN+2H"	43.041102
"193207"	629.00036	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2Na-H"	44.97116
"630216"	921.01496	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2Na-H"	44.97116
"1138473"	336.98576	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2Na-H"	44.97116
"183951"	315.003818	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2Na"	45.978436
"623508"	461.011118	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2Na"	45.978436
"1127015"	168.996518	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2Na"	45.978436
"1408351"	113.000104	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+2Na"	46.985712
"1440467"	339.027346	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+HCOOH"	47.012746
"226888"	320.03684	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+3H2O+2H"	56.04448
"1512764"	353.07939	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+IsoProp+H"	61.06479
"414637"	322.990788	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+Na+K"	61.952376
"771258"	468.998088	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+Na+K"	61.952376
"1667588"	176.983488	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na+K"	61.952376
"254477"	648.044968	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+ACN+Na"	64.015768
"1227913"	356.030368	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+ACN+Na"	64.015768
"1717892"	356.053893	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+NH4+HCOOH"	64.039293
"1185436"	120.327418	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+3Na"	68.967654
"1650142"	361.009288	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na+HCOOH"	68.994688
"157817"	660.94824	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2K-H"	76.91904
"598469"	952.96284	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2K-H"	76.91904
"1084636"	368.93364	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2K-H"	76.91904
"142714"	330.977758	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"2M+2K"	77.926316
"584831"	476.985058	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"3M+2K"	77.926316
"1072625"	184.970458	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2K"	77.926316
"1101091"	370.948192	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2K+H"	78.933592
"1337112"	371.035807	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+DMSO+H"	79.021207
"1011841"	375.074976	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2ACN+H"	83.060376
"1526692"	376.068608	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+IsoProp+Na+H"	84.054008
"995329"	188.041126	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+2ACN+2H"	84.067652
"1599678"	376.983228	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K+HCOOH"	84.968628
"1427524"	407.014738	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+H+CF3COOH"	115.000138
"1161092"	208.554401	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+3ACN+2H"	125.094202
"1711736"	424.041285	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+NH4+CF3COOH"	132.026685
"1646294"	428.99668	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+Na+CF3COOH"	136.98208
"1577570"	444.97062	"C16557"	"Carboxyifosfamide"	"C7H15Cl2N2O4P"	"292.0146"	"M+K+CF3COOH"	152.95602
"816893"	278.0354	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M"	0
"984750"	259.01701	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H2O-H"	-19.01839
"67524"	184.349657333333	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-3H"	-3.021828
"509269"	277.028124	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-3H"	-3.021828
"882696"	91.6711906666666	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-3H"	-3.021828
"4550"	277.028124	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H"	-2.014552
"443745"	416.045824	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H"	-2.014552
"821182"	138.010424	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H"	-2.014552
"81909"	555.063524	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-H"	-1.007276
"522564"	833.098924	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-H"	-1.007276
"910089"	277.028124	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H"	-1.007276
"51461"	572.090071	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H+NH4"	16.019271
"501112"	850.125471	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H+NH4"	16.019271
"873198"	294.054671	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H+NH4"	16.019271
"44380"	577.045466	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H+Na"	20.974666
"481754"	855.080866	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H+Na"	20.974666
"859555"	299.010066	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H+Na"	20.974666
"1630182"	299.010066	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na-2H"	20.974666
"101244"	295.016463	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-H+Cl"	33.962126
"547001"	434.034163	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-H+Cl"	33.962126
"927761"	155.998763	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+Cl"	33.962126
"275067"	591.040202	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Cl"	34.969402
"665301"	869.075602	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+Cl"	34.969402
"1284264"	313.004802	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl"	34.969402
"24632"	593.019406	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M-2H+K"	36.948606
"466385"	871.054806	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M-2H+K"	36.948606
"843093"	314.984006	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-2H+K"	36.948606
"1562208"	314.984006	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K-2H"	36.948606
"947905"	323.033594	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+HCOOH"	44.998194
"366848"	601.069001	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+HCOOH-H"	44.998201
"354377"	615.084651	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Hac-H"	59.013851
"1503210"	337.049251	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Hac-H"	59.013851
"965281"	345.015551	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+NaCOOH"	66.980151
"116374"	313.004802	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2Cl"	69.938804
"557034"	452.022502	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2Cl"	69.938804
"1027293"	173.987102	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2Cl"	69.938804
"1245419"	356.954285	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Br"	78.918885
"1311148"	359.010272	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl+HCOOH"	80.974872
"1328643"	380.992229	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl+NaCOOH"	102.956829
"918607"	391.020986	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M-H+CF3COOH"	112.985586
"1298596"	426.997664	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Cl+CF3COOH"	148.962264
"1376758"	243.022724	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H-2H2O"	-35.012676
"1392065"	261.0327	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H-H2O"	-17.0027
"291750"	557.078076	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H"	1.007276
"679796"	835.113476	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H"	1.007276
"1353229"	279.042676	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H"	1.007276
"127942"	279.042676	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2H"	2.014552
"567501"	418.060376	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2H"	2.014552
"1040672"	140.024976	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2H"	2.014552
"209670"	186.364209333333	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+3H"	3.021828
"648138"	279.042676	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+3H"	3.021828
"1168449"	93.6857426666667	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+3H"	3.021828
"431734"	574.104623	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+NH4"	18.033823
"793824"	852.140023	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+NH4"	18.033823
"1692339"	296.069223	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+NH4"	18.033823
"332235"	287.5559495	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H+NH4"	19.041099
"726480"	426.5736495	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H+NH4"	19.041099
"1481392"	148.5382495	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+NH4"	19.041099
"396793"	579.060018	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Na"	22.989218
"756690"	857.095418	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+Na"	22.989218
"1604791"	301.024618	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na"	22.989218
"318110"	290.033647	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H+Na"	23.996494
"709438"	429.051347	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H+Na"	23.996494
"1463255"	151.015947	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+Na"	23.996494
"1059787"	101.013056666667	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2H+Na"	25.00377
"1259276"	311.068886	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+CH3OH+H"	33.033486
"378701"	595.033958	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+K"	38.963158
"745411"	873.069358	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+K"	38.963158
"1547463"	316.998558	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K"	38.963158
"303546"	298.020617	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+H+K"	39.970434
"693053"	437.038317	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+H+K"	39.970434
"1447602"	159.002917	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+K"	39.970434
"239482"	598.104626	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+ACN+H"	42.033826
"1212920"	320.069226	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+ACN+H"	42.033826
"1197169"	160.538251	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+ACN+2H"	43.041102
"192225"	601.04196	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2Na-H"	44.97116
"630329"	879.07736	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2Na-H"	44.97116
"1135301"	323.00656	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2Na-H"	44.97116
"180778"	301.024618	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2Na"	45.978436
"621432"	440.042318	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2Na"	45.978436
"1128217"	162.006918	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2Na"	45.978436
"1404086"	108.340370666667	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+2Na"	46.985712
"1440577"	325.048146	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+HCOOH"	47.012746
"226998"	306.05764	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+3H2O+2H"	56.04448
"1518342"	339.10019	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+IsoProp+H"	61.06479
"419121"	309.011588	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+Na+K"	61.952376
"776837"	448.029288	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+Na+K"	61.952376
"1673167"	169.993888	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na+K"	61.952376
"256410"	620.086568	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+ACN+Na"	64.015768
"1234586"	342.051168	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+ACN+Na"	64.015768
"1720191"	342.074693	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+NH4+HCOOH"	64.039293
"1185546"	115.667684666667	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+3Na"	68.967654
"1655440"	347.030088	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na+HCOOH"	68.994688
"163395"	632.98984	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2K-H"	76.91904
"599675"	911.02524	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2K-H"	76.91904
"1089652"	354.95444	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2K-H"	76.91904
"145377"	316.998558	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"2M+2K"	77.926316
"584215"	456.016258	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"3M+2K"	77.926316
"1070912"	177.980858	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2K"	77.926316
"1101933"	356.968992	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2K+H"	78.933592
"1337951"	357.056607	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+DMSO+H"	79.021207
"1010858"	361.095776	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2ACN+H"	83.060376
"1527894"	362.089408	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+IsoProp+Na+H"	84.054008
"1000912"	181.051526	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+2ACN+2H"	84.067652
"1598697"	363.004028	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K+HCOOH"	84.968628
"1427634"	393.035538	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+H+CF3COOH"	115.000138
"1161202"	201.564801	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+3ACN+2H"	125.094202
"1708567"	410.062085	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+NH4+CF3COOH"	132.026685
"1649320"	415.01748	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+Na+CF3COOH"	136.98208
"1577680"	430.99142	"C16558"	"Alcoifosfamide"	"C7H17Cl2N2O3P"	"278.0354"	"M+K+CF3COOH"	152.95602
"814608"	219.9935	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M"	0
"984860"	200.97511	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H2O-H"	-19.01839
"64718"	145.655057333333	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-3H"	-3.021828
"504274"	218.986224	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-3H"	-3.021828
"882804"	72.3238906666667	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-3H"	-3.021828
"1257"	218.986224	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H"	-2.014552
"441668"	328.982974	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H"	-2.014552
"819104"	108.989474	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H"	-2.014552
"80192"	438.979724	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-H"	-1.007276
"520847"	658.973224	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-H"	-1.007276
"904851"	218.986224	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H"	-1.007276
"51571"	456.006271	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H+NH4"	16.019271
"502071"	675.999771	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H+NH4"	16.019271
"873308"	236.012771	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H+NH4"	16.019271
"41209"	460.961666	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H+Na"	20.974666
"481864"	680.955166	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H+Na"	20.974666
"859665"	240.968166	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H+Na"	20.974666
"1627012"	240.968166	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na-2H"	20.974666
"103541"	236.974563	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-H+Cl"	33.962126
"547111"	346.971313	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-H+Cl"	33.962126
"931151"	126.977813	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+Cl"	33.962126
"276271"	474.956402	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Cl"	34.969402
"671971"	694.949902	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+Cl"	34.969402
"1283282"	254.962902	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl"	34.969402
"28026"	476.935606	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M-2H+K"	36.948606
"465404"	696.929106	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M-2H+K"	36.948606
"843203"	256.942106	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-2H+K"	36.948606
"1562318"	256.942106	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K-2H"	36.948606
"950201"	264.991694	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+HCOOH"	44.998194
"368416"	484.985201	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+HCOOH-H"	44.998201
"354487"	499.000851	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Hac-H"	59.013851
"1504413"	279.007351	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Hac-H"	59.013851
"968671"	286.973651	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+NaCOOH"	66.980151
"118671"	254.962902	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2Cl"	69.938804
"556051"	364.959652	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2Cl"	69.938804
"1030319"	144.966152	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2Cl"	69.938804
"1245521"	298.912385	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Br"	78.918885
"1311258"	300.968372	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl+HCOOH"	80.974872
"1329847"	322.950329	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl+NaCOOH"	102.956829
"920904"	332.979086	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M-H+CF3COOH"	112.985586
"1298706"	368.955764	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Cl+CF3COOH"	148.962264
"1376868"	184.980824	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H-2H2O"	-35.012676
"1393268"	202.9908	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H-H2O"	-17.0027
"294412"	440.994276	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H"	1.007276
"685373"	660.987776	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H"	1.007276
"1354068"	221.000776	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H"	1.007276
"128052"	221.000776	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2H"	2.014552
"570892"	330.997526	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2H"	2.014552
"1042971"	111.004026	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2H"	2.014552
"211967"	147.669609333333	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+3H"	3.021828
"650436"	221.000776	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+3H"	3.021828
"1175122"	74.3384426666667	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+3H"	3.021828
"431843"	458.020823	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+NH4"	18.033823
"792840"	678.014323	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+NH4"	18.033823
"1690265"	238.027323	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+NH4"	18.033823
"331251"	229.5140495	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H+NH4"	19.041099
"729869"	339.5107995	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H+NH4"	19.041099
"1482596"	119.5172995	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+NH4"	19.041099
"395809"	462.976218	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Na"	22.989218
"757166"	682.969718	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+Na"	22.989218
"1608183"	242.982718	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na"	22.989218
"320407"	231.991747	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H+Na"	23.996494
"710642"	341.988497	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H+Na"	23.996494
"1469931"	121.994997	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+Na"	23.996494
"1060990"	81.6657566666667	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2H+Na"	25.00377
"1263761"	253.026986	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+CH3OH+H"	33.033486
"381244"	478.950158	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+K"	38.963158
"745521"	698.943658	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+K"	38.963158
"1551947"	258.956658	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K"	38.963158
"305844"	239.978717	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+H+K"	39.970434
"694986"	349.975467	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+H+K"	39.970434
"1449169"	129.981967	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+K"	39.970434
"238499"	482.020826	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+ACN+H"	42.033826
"1213029"	262.027326	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+ACN+H"	42.033826
"1199466"	131.517301	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+ACN+2H"	43.041102
"195616"	484.95816	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2Na-H"	44.97116
"631531"	704.95166	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2Na-H"	44.97116
"1140879"	264.96466	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2Na-H"	44.97116
"183075"	242.982718	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2Na"	45.978436
"618262"	352.979468	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2Na"	45.978436
"1125047"	132.985968	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2Na"	45.978436
"1402010"	88.9930706666667	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+2Na"	46.985712
"1437407"	267.006246	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+HCOOH"	47.012746
"228201"	248.01574	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+3H2O+2H"	56.04448
"1518454"	281.05829	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+IsoProp+H"	61.06479
"419231"	250.969688	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+Na+K"	61.952376
"778043"	360.966438	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+Na+K"	61.952376
"1672184"	140.972938	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na+K"	61.952376
"259804"	504.002768	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+ACN+Na"	64.015768
"1236884"	284.009268	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+ACN+Na"	64.015768
"1718115"	284.032793	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+NH4+HCOOH"	64.039293
"1187844"	96.3203846666667	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+3Na"	68.967654
"1657739"	288.988188	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na+HCOOH"	68.994688
"159131"	516.90604	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2K-H"	76.91904
"599783"	736.89954	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2K-H"	76.91904
"1091947"	296.91254	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2K-H"	76.91904
"144393"	258.956658	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"2M+2K"	77.926316
"584325"	368.953408	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"3M+2K"	77.926316
"1071021"	148.959908	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2K"	77.926316
"1102043"	298.927092	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2K+H"	78.933592
"1337332"	299.014707	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+DMSO+H"	79.021207
"1007689"	303.053876	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2ACN+H"	83.060376
"1528005"	304.047508	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+IsoProp+Na+H"	84.054008
"999925"	152.030576	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+2ACN+2H"	84.067652
"1597713"	304.962128	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K+HCOOH"	84.968628
"1426651"	334.993638	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+H+CF3COOH"	115.000138
"1160219"	172.543851	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+3ACN+2H"	125.094202
"1706491"	352.020185	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+NH4+CF3COOH"	132.026685
"1643233"	356.97558	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+Na+CF3COOH"	136.98208
"1577790"	372.94952	"C16559"	"Isophosphamide mustard"	"C4H11Cl2N2O2P"	"219.9935"	"M+K+CF3COOH"	152.95602
"811438"	250.1681	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M"	0
"983877"	231.14971	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-H2O-H"	-19.01839
"64463"	165.771457333333	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M-3H"	-3.021828
"504138"	249.160824	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M-3H"	-3.021828
"881578"	82.3820906666667	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-3H"	-3.021828
"2218"	249.160824	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M-2H"	-2.014552
"443601"	374.244874	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M-2H"	-2.014552
"819944"	124.076774	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-2H"	-2.014552
"79451"	499.328924	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M-H"	-1.007276
"519985"	749.497024	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M-H"	-1.007276
"903867"	249.160824	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-H"	-1.007276
"53868"	516.355471	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M-2H+NH4"	16.019271
"501694"	766.523571	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M-2H+NH4"	16.019271
"873418"	266.187371	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-2H+NH4"	16.019271
"41319"	521.310866	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M-2H+Na"	20.974666
"481973"	771.478966	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M-2H+Na"	20.974666
"859775"	271.142766	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-2H+Na"	20.974666
"1630402"	271.142766	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Na-2H"	20.974666
"103651"	267.149163	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M-H+Cl"	33.962126
"546492"	392.233213	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M-H+Cl"	33.962126
"934541"	142.065113	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-H+Cl"	33.962126
"276381"	535.305602	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+Cl"	34.969402
"670988"	785.473702	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+Cl"	34.969402
"1281205"	285.137502	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Cl"	34.969402
"29230"	537.284806	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M-2H+K"	36.948606
"467699"	787.452906	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M-2H+K"	36.948606
"841128"	287.116706	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-2H+K"	36.948606
"1563522"	287.116706	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+K-2H"	36.948606
"950311"	295.166294	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-H+HCOOH"	44.998194
"368526"	545.334401	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+HCOOH-H"	44.998201
"354597"	559.350051	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+Hac-H"	59.013851
"1503430"	309.181951	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Hac-H"	59.013851
"964772"	317.148251	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-H+NaCOOH"	66.980151
"116595"	285.137502	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+2Cl"	69.938804
"557616"	410.221552	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+2Cl"	69.938804
"1027877"	160.053452	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2Cl"	69.938804
"1244538"	329.086985	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Br"	78.918885
"1310270"	331.142972	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Cl+HCOOH"	80.974872
"1327766"	353.124929	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Cl+NaCOOH"	102.956829
"921014"	363.153686	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M-H+CF3COOH"	112.985586
"1298815"	399.130364	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Cl+CF3COOH"	148.962264
"1371510"	215.155424	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H-2H2O"	-35.012676
"1391191"	233.1654	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H-H2O"	-17.0027
"289783"	501.343476	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+H"	1.007276
"685483"	751.511576	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+H"	1.007276
"1356363"	251.175376	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H"	1.007276
"134720"	251.175376	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+2H"	2.014552
"568205"	376.259426	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+2H"	2.014552
"1043081"	126.091326	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2H"	2.014552
"210984"	167.786009333333	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+3H"	3.021828
"651640"	251.175376	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+3H"	3.021828
"1173046"	84.3966426666667	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+3H"	3.021828
"433045"	518.370023	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+NH4"	18.033823
"795138"	768.538123	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+NH4"	18.033823
"1689283"	268.201923	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+NH4"	18.033823
"334278"	259.6886495	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+H+NH4"	19.041099
"725606"	384.7726995	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+H+NH4"	19.041099
"1482706"	134.6045995	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H+NH4"	19.041099
"395920"	523.325418	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+Na"	22.989218
"758005"	773.493518	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+Na"	22.989218
"1609387"	273.157318	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Na"	22.989218
"320517"	262.166347	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+H+Na"	23.996494
"712940"	387.250397	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+H+Na"	23.996494
"1470041"	137.082297	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H+Na"	23.996494
"1062193"	91.7239566666667	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2H+Na"	25.00377
"1262779"	283.201586	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+CH3OH+H"	33.033486
"384635"	539.299358	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+K"	38.963158
"747818"	789.467458	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+K"	38.963158
"1552057"	289.131258	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+K"	38.963158
"307047"	270.153317	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+H+K"	39.970434
"695096"	395.237367	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+H+K"	39.970434
"1446481"	145.069267	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H+K"	39.970434
"236785"	542.370026	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+ACN+H"	42.033826
"1212044"	292.201926	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+ACN+H"	42.033826
"1196659"	146.604601	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+ACN+2H"	43.041102
"193539"	545.30736	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+2Na-H"	44.97116
"631275"	795.47546	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+2Na-H"	44.97116
"1138802"	295.13926	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2Na-H"	44.97116
"179905"	273.157318	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+2Na"	45.978436
"615577"	398.241368	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+2Na"	45.978436
"1121877"	148.073268	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2Na"	45.978436
"1402120"	99.0512706666667	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H+2Na"	46.985712
"1437517"	297.180846	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H+HCOOH"	47.012746
"227214"	278.19034	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+3H2O+2H"	56.04448
"1518564"	311.23289	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+IsoProp+H"	61.06479
"417154"	281.144288	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+Na+K"	61.952376
"778153"	406.228338	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+Na+K"	61.952376
"1672294"	156.060238	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Na+K"	61.952376
"263922"	564.351968	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+ACN+Na"	64.015768
"1234807"	314.183868	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+ACN+Na"	64.015768
"1718225"	314.207393	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+NH4+HCOOH"	64.039293
"1185767"	106.378584666667	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+3Na"	68.967654
"1660036"	319.162788	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Na+HCOOH"	68.994688
"160335"	577.25524	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+2K-H"	76.91904
"600258"	827.42334	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+2K-H"	76.91904
"1089871"	327.08714	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2K-H"	76.91904
"143773"	289.131258	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"2M+2K"	77.926316
"583706"	414.215308	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"3M+2K"	77.926316
"1071131"	164.047208	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2K"	77.926316
"1103246"	329.101692	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2K+H"	78.933592
"1338535"	329.189307	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+DMSO+H"	79.021207
"1010349"	333.228476	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2ACN+H"	83.060376
"1525928"	334.222108	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+IsoProp+Na+H"	84.054008
"1001131"	167.117876	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+2ACN+2H"	84.067652
"1599648"	335.136728	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+K+HCOOH"	84.968628
"1426762"	365.168238	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+H+CF3COOH"	115.000138
"1160331"	187.631151	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+3ACN+2H"	125.094202
"1706601"	382.194785	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+NH4+CF3COOH"	132.026685
"1643343"	387.15018	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+Na+CF3COOH"	136.98208
"1577900"	403.12412	"C16560"	"3-Hydroxylidocaine"	"C14H22N2O2"	"250.1681"	"M+K+CF3COOH"	152.95602
"813735"	206.1419	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M"	0
"983987"	187.12351	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-H2O-H"	-19.01839
"66760"	136.420657333333	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M-3H"	-3.021828
"504131"	205.134624	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M-3H"	-3.021828
"881932"	67.7066906666667	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-3H"	-3.021828
"1356"	205.134624	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M-2H"	-2.014552
"441161"	308.205574	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M-2H"	-2.014552
"817869"	102.063674	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-2H"	-2.014552
"78911"	411.276524	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M-H"	-1.007276
"518759"	617.418424	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M-H"	-1.007276
"903977"	205.134624	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-H"	-1.007276
"50698"	428.303071	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M-2H+NH4"	16.019271
"502168"	634.444971	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M-2H+NH4"	16.019271
"873528"	222.161171	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-2H+NH4"	16.019271
"33045"	433.258466	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M-2H+Na"	20.974666
"474793"	639.400366	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M-2H+Na"	20.974666
"853324"	227.116566	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-2H+Na"	20.974666
"1627232"	227.116566	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Na-2H"	20.974666
"97200"	223.122963	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M-H+Cl"	33.962126
"547695"	326.193913	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M-H+Cl"	33.962126
"934651"	120.052013	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-H+Cl"	33.962126
"272115"	447.253202	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+Cl"	34.969402
"668911"	653.395102	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+Cl"	34.969402
"1285688"	241.111302	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Cl"	34.969402
"28247"	449.232406	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M-2H+K"	36.948606
"464530"	655.374306	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M-2H+K"	36.948606
"842331"	243.090506	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-2H+K"	36.948606
"1562539"	243.090506	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+K-2H"	36.948606
"951514"	251.140094	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-H+HCOOH"	44.998194
"368636"	457.282001	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+HCOOH-H"	44.998201
"351427"	471.297651	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+Hac-H"	59.013851
"1502447"	265.155751	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Hac-H"	59.013851
"965611"	273.122051	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-H+NaCOOH"	66.980151
"115614"	241.111302	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+2Cl"	69.938804
"556633"	344.182252	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+2Cl"	69.938804
"1028716"	138.040352	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2Cl"	69.938804
"1247564"	285.060785	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Br"	78.918885
"1312566"	287.116772	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Cl+HCOOH"	80.974872
"1327876"	309.098729	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Cl+NaCOOH"	102.956829
"913828"	319.127486	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M-H+CF3COOH"	112.985586
"1293817"	355.104164	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Cl+CF3COOH"	148.962264
"1372708"	171.129224	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H-2H2O"	-35.012676
"1388019"	189.1392	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H-H2O"	-17.0027
"290986"	413.291076	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+H"	1.007276
"683406"	619.432976	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+H"	1.007276
"1357567"	207.149176	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H"	1.007276
"131550"	207.149176	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+2H"	2.014552
"572206"	310.220126	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+2H"	2.014552
"1043192"	104.078226	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2H"	2.014552
"208542"	138.435209333333	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+3H"	3.021828
"649561"	207.149176	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+3H"	3.021828
"1173155"	69.7212426666667	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+3H"	3.021828
"433147"	430.317623	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+NH4"	18.033823
"790860"	636.459523	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+NH4"	18.033823
"1689383"	224.175723	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+NH4"	18.033823
"335481"	215.6624495	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+H+NH4"	19.041099
"726079"	318.7333995	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+H+NH4"	19.041099
"1482816"	112.5914995	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H+NH4"	19.041099
"398217"	435.273018	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+Na"	22.989218
"757386"	641.414918	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+Na"	22.989218
"1609498"	229.131118	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Na"	22.989218
"318441"	218.140147	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+H+Na"	23.996494
"713050"	321.211097	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+H+Na"	23.996494
"1470151"	115.069197	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H+Na"	23.996494
"1060116"	77.0485566666667	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2H+Na"	25.00377
"1262889"	239.175386	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+CH3OH+H"	33.033486
"384745"	451.246958	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+K"	38.963158
"743554"	657.388858	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+K"	38.963158
"1551074"	245.105058	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+K"	38.963158
"307156"	226.127117	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+H+K"	39.970434
"693019"	329.198067	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+H+K"	39.970434
"1446472"	123.056167	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H+K"	39.970434
"237623"	454.317626	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+ACN+H"	42.033826
"1211789"	248.175726	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+ACN+H"	42.033826
"1196768"	124.591501	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+ACN+2H"	43.041102
"191459"	457.25496	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+2Na-H"	44.97116
"629237"	663.39686	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+2Na-H"	44.97116
"1136725"	251.11306	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2Na-H"	44.97116
"177828"	229.131118	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+2Na"	45.978436
"615202"	332.202068	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+2Na"	45.978436
"1121987"	126.060168	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2Na"	45.978436
"1400042"	84.3758706666667	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H+2Na"	46.985712
"1434347"	253.154646	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H+HCOOH"	47.012746
"227324"	234.16414	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+3H2O+2H"	56.04448
"1522682"	267.20669	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+IsoProp+H"	61.06479
"417264"	237.118088	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+Na+K"	61.952376
"780449"	340.189038	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+Na+K"	61.952376
"1670217"	134.047138	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Na+K"	61.952376
"256736"	476.299568	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+ACN+Na"	64.015768
"1234917"	270.157668	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+ACN+Na"	64.015768
"1721615"	270.181193	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+NH4+HCOOH"	64.039293
"1188064"	91.7031846666667	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+3Na"	68.967654
"1660146"	275.136588	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Na+HCOOH"	68.994688
"161538"	489.20284	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+2K-H"	76.91904
"601097"	695.34474	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+2K-H"	76.91904
"1087795"	283.06094	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2K-H"	76.91904
"143883"	245.105058	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"2M+2K"	77.926316
"584543"	348.176008	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"3M+2K"	77.926316
"1072335"	142.034108	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2K"	77.926316
"1101534"	285.075492	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2K+H"	78.933592
"1337915"	285.163107	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+DMSO+H"	79.021207
"1007908"	289.202276	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2ACN+H"	83.060376
"1528225"	290.195908	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+IsoProp+Na+H"	84.054008
"1001609"	145.104776	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+2ACN+2H"	84.067652
"1597936"	291.110528	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+K+HCOOH"	84.968628
"1426872"	321.142038	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+H+CF3COOH"	115.000138
"1160809"	165.618051	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+3ACN+2H"	125.094202
"1708897"	338.168585	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+NH4+CF3COOH"	132.026685
"1643453"	343.12398	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+Na+CF3COOH"	136.98208
"1578010"	359.09792	"C16561"	"Monoethylglycinexylidide"	"C12H18N2O"	"206.1419"	"M+K+CF3COOH"	152.95602
"812752"	491.289	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M"	0
"983004"	472.27061	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-H2O-H"	-19.01839
"65777"	326.518724	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M-3H"	-3.021828
"504241"	490.281724	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M-3H"	-3.021828
"881314"	162.755724	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-3H"	-3.021828
"4992"	490.281724	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M-2H"	-2.014552
"443458"	735.926224	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M-2H"	-2.014552
"818587"	244.637224	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-2H"	-2.014552
"80162"	981.570724	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M-H"	-1.007276
"519723"	1472.859724	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M-H"	-1.007276
"902994"	490.281724	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-H"	-1.007276
"50808"	998.597271	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M-2H+NH4"	16.019271
"500213"	1489.886271	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M-2H+NH4"	16.019271
"873638"	507.308271	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-2H+NH4"	16.019271
"36071"	1003.552666	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M-2H+Na"	20.974666
"477819"	1494.841666	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M-2H+Na"	20.974666
"856715"	512.263666	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-2H+Na"	20.974666
"1628437"	512.263666	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Na-2H"	20.974666
"97310"	508.270063	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M-H+Cl"	33.962126
"546712"	753.914563	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M-H+Cl"	33.962126
"934759"	262.625563	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-H+Cl"	33.962126
"273318"	1017.547402	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+Cl"	34.969402
"669019"	1508.836402	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+Cl"	34.969402
"1283614"	526.258402	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Cl"	34.969402
"26168"	1019.526606	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M-2H+K"	36.948606
"463547"	1510.815606	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M-2H+K"	36.948606
"839526"	528.237606	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-2H+K"	36.948606
"1561554"	528.237606	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+K-2H"	36.948606
"951624"	536.287194	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-H+HCOOH"	44.998194
"368746"	1027.576201	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+HCOOH-H"	44.998201
"352631"	1041.591851	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+Hac-H"	59.013851
"1501463"	550.302851	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Hac-H"	59.013851
"965721"	558.269151	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-H+NaCOOH"	66.980151
"115724"	526.258402	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+2Cl"	69.938804
"555650"	771.902902	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+2Cl"	69.938804
"1028826"	280.613902	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2Cl"	69.938804
"1250590"	570.207885	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Br"	78.918885
"1312676"	572.263872	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Cl+HCOOH"	80.974872
"1324340"	594.245829	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Cl+NaCOOH"	102.956829
"913938"	604.274586	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M-H+CF3COOH"	112.985586
"1291742"	640.251264	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Cl+CF3COOH"	148.962264
"1370630"	456.276324	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H-2H2O"	-35.012676
"1388129"	474.2863	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H-H2O"	-17.0027
"291096"	983.585276	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+H"	1.007276
"682423"	1474.874276	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+H"	1.007276
"1353668"	492.296276	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H"	1.007276
"127651"	492.296276	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+2H"	2.014552
"569036"	737.940776	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+2H"	2.014552
"1040021"	246.651776	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2H"	2.014552
"210110"	328.533276	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+3H"	3.021828
"654044"	492.296276	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+3H"	3.021828
"1173265"	164.770276	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+3H"	3.021828
"433256"	1000.611823	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+NH4"	18.033823
"789877"	1491.900823	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+NH4"	18.033823
"1690586"	509.322823	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+NH4"	18.033823
"337779"	500.8095495	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+H+NH4"	19.041099
"728013"	746.4540495	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+H+NH4"	19.041099
"1481834"	255.1650495	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H+NH4"	19.041099
"397233"	1005.567218	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+Na"	22.989218
"760414"	1496.856218	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+Na"	22.989218
"1611793"	514.278218	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Na"	22.989218
"322925"	503.287247	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+H+Na"	23.996494
"715347"	748.931747	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+H+Na"	23.996494
"1473542"	257.642747	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H+Na"	23.996494
"1061321"	172.09759	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2H+Na"	25.00377
"1264092"	524.322486	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+CH3OH+H"	33.033486
"383762"	1021.541158	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+K"	38.963158
"745851"	1512.830158	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+K"	38.963158
"1550092"	530.252158	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+K"	38.963158
"306173"	511.274217	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+H+K"	39.970434
"699688"	756.918717	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+H+K"	39.970434
"1445932"	265.629717	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H+K"	39.970434
"236640"	1024.611826	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+ACN+H"	42.033826
"1212265"	533.322826	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+ACN+H"	42.033826
"1197969"	267.165051	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+ACN+2H"	43.041102
"190840"	1027.54916	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+2Na-H"	44.97116
"631860"	1518.83816	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+2Na-H"	44.97116
"1136835"	536.26016	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2Na-H"	44.97116
"174658"	514.278218	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+2Na"	45.978436
"620780"	759.922718	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+2Na"	45.978436
"1122097"	268.633718	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2Na"	45.978436
"1399059"	179.424904	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H+2Na"	46.985712
"1434457"	538.301746	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H+HCOOH"	47.012746
"227434"	519.31124	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+3H2O+2H"	56.04448
"1514406"	552.35379	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+IsoProp+H"	61.06479
"414094"	522.265188	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+Na+K"	61.952376
"778373"	767.909688	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+Na+K"	61.952376
"1668139"	276.620688	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Na+K"	61.952376
"254294"	1046.593768	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+ACN+Na"	64.015768
"1232840"	555.304768	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+ACN+Na"	64.015768
"1718444"	555.328293	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+NH4+HCOOH"	64.039293
"1188173"	186.752218	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+3Na"	68.967654
"1660256"	560.283688	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Na+HCOOH"	68.994688
"160556"	1059.49704	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+2K-H"	76.91904
"601207"	1550.78604	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+2K-H"	76.91904
"1087174"	568.20804	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2K-H"	76.91904
"143994"	530.252158	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"2M+2K"	77.926316
"583308"	775.896658	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"3M+2K"	77.926316
"1071716"	284.607658	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2K"	77.926316
"1101644"	570.222592	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2K+H"	78.933592
"1337295"	570.310207	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+DMSO+H"	79.021207
"1008382"	574.349376	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2ACN+H"	83.060376
"1527242"	575.343008	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+IsoProp+Na+H"	84.054008
"1001353"	287.678326	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+2ACN+2H"	84.067652
"1600233"	576.257628	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+K+HCOOH"	84.968628
"1428807"	606.289138	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+H+CF3COOH"	115.000138
"1160551"	308.191601	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+3ACN+2H"	125.094202
"1711194"	623.315685	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+NH4+CF3COOH"	132.026685
"1643563"	628.27108	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+Na+CF3COOH"	136.98208
"1578120"	644.24502	"C16562"	"Glutathionylspermine"	"C20H41N7O5S"	"491.289"	"M+K+CF3COOH"	152.95602
"816468"	780.3622	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M"	0
"983114"	761.34381	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-H2O-H"	-19.01839
"68074"	519.234190666667	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M-3H"	-3.021828
"505445"	779.354924	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M-3H"	-3.021828
"882153"	259.113457333333	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-3H"	-3.021828
"6196"	779.354924	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M-2H"	-2.014552
"444661"	1169.536024	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M-2H"	-2.014552
"822464"	389.173824	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-2H"	-2.014552
"82458"	1559.717124	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M-H"	-1.007276
"519587"	2340.079324	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M-H"	-1.007276
"903104"	779.354924	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-H"	-1.007276
"52011"	1576.743671	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M-2H+NH4"	16.019271
"499959"	2357.105871	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M-2H+NH4"	16.019271
"873748"	796.381471	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-2H+NH4"	16.019271
"35088"	1581.699066	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M-2H+Na"	20.974666
"477929"	2362.061266	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M-2H+Na"	20.974666
"856825"	801.336866	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-2H+Na"	20.974666
"1628547"	801.336866	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Na-2H"	20.974666
"97420"	797.343263	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M-H+Cl"	33.962126
"543542"	1187.524363	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M-H+Cl"	33.962126
"934869"	407.162163	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-H+Cl"	33.962126
"272335"	1595.693802	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+Cl"	34.969402
"664756"	2376.056002	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+Cl"	34.969402
"1284453"	815.331602	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Cl"	34.969402
"24092"	1597.673006	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M-2H+K"	36.948606
"464021"	2378.035206	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M-2H+K"	36.948606
"842916"	817.310806	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-2H+K"	36.948606
"1562029"	817.310806	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+K-2H"	36.948606
"951734"	825.360394	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-H+HCOOH"	44.998194
"368856"	1605.722601	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+HCOOH-H"	44.998201
"352376"	1619.738251	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+Hac-H"	59.013851
"1500480"	839.376051	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Hac-H"	59.013851
"964738"	847.342351	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-H+NaCOOH"	66.980151
"118020"	815.331602	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+2Cl"	69.938804
"555760"	1205.512702	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+2Cl"	69.938804
"1029666"	425.150502	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2Cl"	69.938804
"1249607"	859.281085	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Br"	78.918885
"1313880"	861.337072	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Cl+HCOOH"	80.974872
"1325908"	883.319029	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Cl+NaCOOH"	102.956829
"914048"	893.347786	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M-H+CF3COOH"	112.985586
"1291852"	929.324464	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Cl+CF3COOH"	148.962264
"1371836"	745.349524	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H-2H2O"	-35.012676
"1391520"	763.3595	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H-H2O"	-17.0027
"290113"	1561.731676	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+H"	1.007276
"681440"	2342.093876	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+H"	1.007276
"1355966"	781.369476	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H"	1.007276
"128852"	781.369476	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+2H"	2.014552
"569142"	1171.550576	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+2H"	2.014552
"1038670"	391.188376	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2H"	2.014552
"207297"	521.248742666667	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+3H"	3.021828
"647228"	781.369476	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+3H"	3.021828
"1166080"	261.128009333333	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+3H"	3.021828
"427168"	1578.758223	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+NH4"	18.033823
"788894"	2359.120423	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+NH4"	18.033823
"1690696"	798.396023	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+NH4"	18.033823
"342264"	789.8827495	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+H+NH4"	19.041099
"736506"	1180.0638495	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+H+NH4"	19.041099
"1486315"	399.7016495	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H+NH4"	19.041099
"397344"	1583.713618	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+Na"	22.989218
"761619"	2364.075818	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+Na"	22.989218
"1609718"	803.351418	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Na"	22.989218
"316839"	792.360447	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+H+Na"	23.996494
"713270"	1182.541547	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+H+Na"	23.996494
"1465998"	402.179347	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H+Na"	23.996494
"1060337"	268.455323333333	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2H+Na"	25.00377
"1267483"	813.395686	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+CH3OH+H"	33.033486
"386059"	1599.687558	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+K"	38.963158
"750335"	2380.049758	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+K"	38.963158
"1548017"	819.325358	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+K"	38.963158
"310658"	800.347417	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+H+K"	39.970434
"697612"	1190.528517	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+H+K"	39.970434
"1446812"	410.166317	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H+K"	39.970434
"238573"	1602.758226	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+ACN+H"	42.033826
"1213467"	822.396026	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+ACN+H"	42.033826
"1199174"	411.701651	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+ACN+2H"	43.041102
"192042"	1605.69556	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+2Na-H"	44.97116
"630510"	2386.05776	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+2Na-H"	44.97116
"1133299"	825.33336	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2Na-H"	44.97116
"181328"	803.351418	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+2Na"	45.978436
"618702"	1193.532518	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+2Na"	45.978436
"1118927"	413.170318	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2Na"	45.978436
"1399287"	275.782637333333	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H+2Na"	46.985712
"1432015"	827.374946	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H+HCOOH"	47.012746
"226451"	808.38444	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+3H2O+2H"	56.04448
"1510141"	841.42699	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+IsoProp+H"	61.06479
"409827"	811.338388	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+Na+K"	61.952376
"780670"	1201.519488	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+Na+K"	61.952376
"1668615"	421.157288	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Na+K"	61.952376
"253675"	1624.740168	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+ACN+Na"	64.015768
"1234044"	844.377968	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+ACN+Na"	64.015768
"1717462"	844.401493	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+NH4+HCOOH"	64.039293
"1185004"	283.109951333333	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+3Na"	68.967654
"1660367"	849.356888	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Na+HCOOH"	68.994688
"161758"	1637.64344	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+2K-H"	76.91904
"599129"	2418.00564	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+2K-H"	76.91904
"1085830"	857.28124	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2K-H"	76.91904
"144832"	819.325358	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"2M+2K"	77.926316
"583302"	1209.506458	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"3M+2K"	77.926316
"1070004"	429.144258	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2K"	77.926316
"1101390"	859.295792	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2K+H"	78.933592
"1336680"	859.383407	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+DMSO+H"	79.021207
"1009221"	863.422576	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2ACN+H"	83.060376
"1528446"	864.416208	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+IsoProp+Na+H"	84.054008
"1001097"	432.214926	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+2ACN+2H"	84.067652
"1598155"	865.330828	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+K+HCOOH"	84.968628
"1429281"	895.362338	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+H+CF3COOH"	115.000138
"1158472"	452.728201	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+3ACN+2H"	125.094202
"1712277"	912.388885	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+NH4+CF3COOH"	132.026685
"1643673"	917.34428	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+Na+CF3COOH"	136.98208
"1578230"	933.31822	"C16563"	"Bis(glutathionyl)spermine;N1N12-Bis(glutathionyl)spermine"	"C30H56N10O10S2"	"780.3622"	"M+K+CF3COOH"	152.95602
"816251"	778.3466	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M"	0
"987597"	759.32821	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-H2O-H"	-19.01839
"69277"	517.890457333333	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M-3H"	-3.021828
"512116"	777.339324	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M-3H"	-3.021828
"885545"	258.441590666667	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-3H"	-3.021828
"7399"	777.339324	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M-2H"	-2.014552
"444771"	1166.512624	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M-2H"	-2.014552
"823668"	388.166024	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-2H"	-2.014552
"83661"	1555.685924	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M-H"	-1.007276
"522493"	2334.032524	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M-H"	-1.007276
"903214"	777.339324	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-H"	-1.007276
"55401"	1572.712471	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M-2H+NH4"	16.019271
"499338"	2351.059071	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M-2H+NH4"	16.019271
"873858"	794.365871	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-2H+NH4"	16.019271
"38478"	1577.667866	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M-2H+Na"	20.974666
"479132"	2356.014466	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M-2H+Na"	20.974666
"860215"	799.321266	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-2H+Na"	20.974666
"1629750"	799.321266	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Na-2H"	20.974666
"104090"	795.327663	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M-H+Cl"	33.962126
"546932"	1184.500963	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M-H+Cl"	33.962126
"938259"	406.154363	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-H+Cl"	33.962126
"275725"	1591.662602	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+Cl"	34.969402
"671426"	2370.009202	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+Cl"	34.969402
"1285656"	813.316002	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Cl"	34.969402
"27482"	1593.641806	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M-2H+K"	36.948606
"464131"	2371.988406	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M-2H+K"	36.948606
"843755"	815.295206	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-2H+K"	36.948606
"1562139"	815.295206	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+K-2H"	36.948606
"950751"	823.344794	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-H+HCOOH"	44.998194
"371152"	1601.691401	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+HCOOH-H"	44.998201
"353580"	1615.707051	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+Hac-H"	59.013851
"1501684"	837.360451	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Hac-H"	59.013851
"968128"	845.326751	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-H+NaCOOH"	66.980151
"119223"	813.316002	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+2Cl"	69.938804
"558787"	1202.489302	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+2Cl"	69.938804
"1027587"	424.142702	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2Cl"	69.938804
"1248259"	857.265485	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Br"	78.918885
"1311804"	859.321472	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Cl+HCOOH"	80.974872
"1327112"	881.303429	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Cl+NaCOOH"	102.956829
"914523"	891.332186	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M-H+CF3COOH"	112.985586
"1291962"	927.308864	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Cl+CF3COOH"	148.962264
"1371219"	743.333924	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H-2H2O"	-35.012676
"1387257"	761.3439	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H-H2O"	-17.0027
"288037"	1557.700476	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+H"	1.007276
"681551"	2336.047076	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+H"	1.007276
"1357900"	779.353876	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H"	1.007276
"130787"	779.353876	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+2H"	2.014552
"568160"	1168.527176	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+2H"	2.014552
"1038416"	390.180576	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2H"	2.014552
"206677"	519.905009333333	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+3H"	3.021828
"645505"	779.353876	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+3H"	3.021828
"1164355"	260.456142666667	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+3H"	3.021828
"426913"	1574.727023	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+NH4"	18.033823
"789005"	2353.073623	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+NH4"	18.033823
"1686793"	796.380423	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+NH4"	18.033823
"345678"	787.8671495	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+H+NH4"	19.041099
"736983"	1177.0404495	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+H+NH4"	19.041099
"1487520"	398.6938495	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H+NH4"	19.041099
"402922"	1579.682418	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+Na"	22.989218
"762823"	2358.029018	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+Na"	22.989218
"1613108"	801.335818	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Na"	22.989218
"324239"	790.344847	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+H+Na"	23.996494
"716660"	1179.518147	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+H+Na"	23.996494
"1473399"	401.171547	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H+Na"	23.996494
"1064822"	267.783456666667	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2H+Na"	25.00377
"1268687"	811.380086	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+CH3OH+H"	33.033486
"392656"	1595.656358	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+K"	38.963158
"753774"	2374.002958	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+K"	38.963158
"1552500"	817.309758	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+K"	38.963158
"312955"	798.331817	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+H+K"	39.970434
"706107"	1187.505117	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+H+K"	39.970434
"1450449"	409.158517	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H+K"	39.970434
"244520"	1598.727026	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+ACN+H"	42.033826
"1213948"	820.380426	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+ACN+H"	42.033826
"1198923"	410.693851	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+ACN+2H"	43.041102
"192521"	1601.66436	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+2Na-H"	44.97116
"630259"	2380.01096	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+2Na-H"	44.97116
"1135961"	823.31776	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2Na-H"	44.97116
"181438"	801.335818	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+2Na"	45.978436
"622092"	1190.509118	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+2Na"	45.978436
"1121223"	412.162518	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2Na"	45.978436
"1400372"	275.110770666667	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H+2Na"	46.985712
"1434677"	825.359346	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H+HCOOH"	47.012746
"225467"	806.36884	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+3H2O+2H"	56.04448
"1513531"	839.41139	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+IsoProp+H"	61.06479
"409937"	809.322788	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+Na+K"	61.952376
"780780"	1198.496088	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+Na+K"	61.952376
"1669820"	420.149488	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Na+K"	61.952376
"252328"	1620.708968	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+ACN+Na"	64.015768
"1227586"	842.362368	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+ACN+Na"	64.015768
"1720852"	842.385893	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+NH4+HCOOH"	64.039293
"1185114"	282.438084666667	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+3Na"	68.967654
"1665337"	847.341288	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Na+HCOOH"	68.994688
"167337"	1633.61224	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+2K-H"	76.91904
"604709"	2411.95884	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+2K-H"	76.91904
"1087033"	855.26564	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2K-H"	76.91904
"146035"	817.309758	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"2M+2K"	77.926316
"586694"	1206.483058	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"3M+2K"	77.926316
"1072301"	428.136458	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2K"	77.926316
"1106604"	857.280192	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2K+H"	78.933592
"1340800"	857.367807	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+DMSO+H"	79.021207
"1009331"	861.406976	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2ACN+H"	83.060376
"1532929"	862.400608	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+IsoProp+Na+H"	84.054008
"998292"	431.207126	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+2ACN+2H"	84.067652
"1596079"	863.315228	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+K+HCOOH"	84.968628
"1427203"	893.346738	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+H+CF3COOH"	115.000138
"1158582"	451.720401	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+3ACN+2H"	125.094202
"1711415"	910.373285	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+NH4+CF3COOH"	132.026685
"1643783"	915.32868	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+Na+CF3COOH"	136.98208
"1578340"	931.30262	"C16564"	"Bis(glutathionyl)spermine disulfide"	"C30H54N10O10S2"	"778.3466"	"M+K+CF3COOH"	152.95602
"814174"	159.1735	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M"	0
"987707"	140.15511	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-H2O-H"	-19.01839
"69387"	105.108390666667	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M-3H"	-3.021828
"506759"	158.166224	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M-3H"	-3.021828
"886749"	52.0505573333333	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-3H"	-3.021828
"7509"	158.166224	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M-2H"	-2.014552
"447068"	237.752974	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M-2H"	-2.014552
"821591"	78.579474	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-2H"	-2.014552
"81583"	317.339724	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M-H"	-1.007276
"521143"	476.513224	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M-H"	-1.007276
"903324"	158.166224	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-H"	-1.007276
"52231"	334.366271	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M-2H+NH4"	16.019271
"499084"	493.539771	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M-2H+NH4"	16.019271
"870688"	175.192771	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-2H+NH4"	16.019271
"40775"	339.321666	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M-2H+Na"	20.974666
"482523"	498.495166	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M-2H+Na"	20.974666
"860325"	180.148166	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-2H+Na"	20.974666
"1628767"	180.148166	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Na-2H"	20.974666
"104200"	176.154563	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M-H+Cl"	33.962126
"544855"	255.741313	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M-H+Cl"	33.962126
"938369"	96.567813	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-H+Cl"	33.962126
"275835"	353.316402	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+Cl"	34.969402
"672996"	512.489902	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+Cl"	34.969402
"1284673"	194.142902	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Cl"	34.969402
"28323"	355.295606	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M-2H+K"	36.948606
"467156"	514.469106	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M-2H+K"	36.948606
"843864"	196.122106	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-2H+K"	36.948606
"1567350"	196.122106	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+K-2H"	36.948606
"951954"	204.171694	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-H+HCOOH"	44.998194
"373449"	363.345201	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+HCOOH-H"	44.998201
"356240"	377.360851	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+Hac-H"	59.013851
"1502887"	218.187351	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Hac-H"	59.013851
"969333"	226.153651	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-H+NaCOOH"	66.980151
"119335"	194.142902	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+2Cl"	69.938804
"556709"	273.729652	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+2Cl"	69.938804
"1027333"	114.556152	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2Cl"	69.938804
"1247278"	238.092385	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Br"	78.918885
"1308997"	240.148372	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Cl+HCOOH"	80.974872
"1325035"	262.130329	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Cl+NaCOOH"	102.956829
"918281"	272.159086	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M-H+CF3COOH"	112.985586
"1292071"	308.135764	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Cl+CF3COOH"	148.962264
"1371327"	124.160824	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H-2H2O"	-35.012676
"1388461"	142.1708	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H-H2O"	-17.0027
"288148"	319.354276	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+H"	1.007276
"684577"	478.527776	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+H"	1.007276
"1359833"	160.180776	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H"	1.007276
"131992"	160.180776	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+2H"	2.014552
"569001"	239.767526	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+2H"	2.014552
"1038162"	80.594026	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2H"	2.014552
"205572"	107.122942666667	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+3H"	3.021828
"644886"	160.180776	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+3H"	3.021828
"1164467"	54.0651093333333	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+3H"	3.021828
"426659"	336.380823	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+NH4"	18.033823
"786923"	495.554323	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+NH4"	18.033823
"1683986"	177.207323	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+NH4"	18.033823
"337007"	168.6940495	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+H+NH4"	19.041099
"735995"	248.2807995	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+H+NH4"	19.041099
"1486539"	89.1072995	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H+NH4"	19.041099
"405219"	341.336218	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+Na"	22.989218
"765122"	500.509718	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+Na"	22.989218
"1615406"	182.162718	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Na"	22.989218
"326538"	171.171747	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+H+Na"	23.996494
"718957"	250.758497	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+H+Na"	23.996494
"1476925"	91.584997	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H+Na"	23.996494
"1068214"	61.3924233333333	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2H+Na"	25.00377
"1272615"	192.206986	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+CH3OH+H"	33.033486
"392482"	357.310158	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+K"	38.963158
"753926"	516.483658	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+K"	38.963158
"1551520"	198.136658	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+K"	38.963158
"313795"	179.158717	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+H+K"	39.970434
"706504"	258.745467	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+H+K"	39.970434
"1449466"	99.571967	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H+K"	39.970434
"241350"	360.380826	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+ACN+H"	42.033826
"1212963"	201.207326	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+ACN+H"	42.033826
"1197940"	101.107301	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+ACN+2H"	43.041102
"192268"	363.31816	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+2Na-H"	44.97116
"630490"	522.49166	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+2Na-H"	44.97116
"1133884"	204.14466	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2Na-H"	44.97116
"181548"	182.162718	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+2Na"	45.978436
"618922"	261.749468	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+2Na"	45.978436
"1118295"	102.575968	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2Na"	45.978436
"1399995"	68.7197373333333	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H+2Na"	46.985712
"1434787"	206.186246	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H+HCOOH"	47.012746
"221563"	187.19574	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+3H2O+2H"	56.04448
"1513642"	220.23829	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+IsoProp+H"	61.06479
"410411"	190.149688	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+Na+K"	61.952376
"777609"	269.736438	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+Na+K"	61.952376
"1672845"	110.562938	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Na+K"	61.952376
"256084"	382.362768	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+ACN+Na"	64.015768
"1227696"	223.189268	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+ACN+Na"	64.015768
"1726430"	223.212793	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+NH4+HCOOH"	64.039293
"1188503"	76.0470513333333	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+3Na"	68.967654
"1658395"	228.168188	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Na+HCOOH"	68.994688
"168541"	395.26604	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+2K-H"	76.91904
"609194"	554.43954	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+2K-H"	76.91904
"1089331"	236.09254	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2K-H"	76.91904
"143959"	198.136658	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"2M+2K"	77.926316
"583524"	277.723408	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"3M+2K"	77.926316
"1071682"	118.549908	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2K"	77.926316
"1104527"	238.107092	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2K+H"	78.933592
"1339817"	238.194707	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+DMSO+H"	79.021207
"1009443"	242.233876	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2ACN+H"	83.060376
"1530854"	243.227508	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+IsoProp+Na+H"	84.054008
"1000588"	121.620576	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+2ACN+2H"	84.067652
"1597282"	244.142128	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+K+HCOOH"	84.968628
"1426220"	274.173638	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+H+CF3COOH"	115.000138
"1155413"	142.133851	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+3ACN+2H"	125.094202
"1710431"	291.200185	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+NH4+CF3COOH"	132.026685
"1646081"	296.15558	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+Na+CF3COOH"	136.98208
"1578450"	312.12952	"C16565"	"Aminopropylcadaverine"	"C8H21N3"	"159.1735"	"M+K+CF3COOH"	152.95602
"814284"	448.2468	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M"	0
"982349"	429.22841	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-H2O-H"	-19.01839
"68404"	297.823924	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M-3H"	-3.021828
"505776"	447.239524	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M-3H"	-3.021828
"880297"	148.408324	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-3H"	-3.021828
"4339"	447.239524	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M-2H"	-2.014552
"446085"	671.362924	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M-2H"	-2.014552
"818784"	223.116124	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-2H"	-2.014552
"80356"	895.486324	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M-H"	-1.007276
"519917"	1343.733124	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M-H"	-1.007276
"900154"	447.239524	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-H"	-1.007276
"52341"	912.512871	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M-2H+NH4"	16.019271
"498101"	1360.759671	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M-2H+NH4"	16.019271
"864722"	464.266071	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-2H+NH4"	16.019271
"38698"	917.468266	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M-2H+Na"	20.974666
"476073"	1365.715066	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M-2H+Na"	20.974666
"857155"	469.221466	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-2H+Na"	20.974666
"1628877"	469.221466	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Na-2H"	20.974666
"101030"	465.227863	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M-H+Cl"	33.962126
"543872"	689.351263	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M-H+Cl"	33.962126
"935199"	241.104463	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-H+Cl"	33.962126
"278133"	931.463002	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+Cl"	34.969402
"673834"	1379.709802	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+Cl"	34.969402
"1282963"	483.216202	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Cl"	34.969402
"26612"	933.442206	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M-2H+K"	36.948606
"463981"	1381.689006	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M-2H+K"	36.948606
"842880"	485.195406	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-2H+K"	36.948606
"1564181"	485.195406	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+K-2H"	36.948606
"954253"	493.244994	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-H+HCOOH"	44.998194
"371373"	941.491801	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+HCOOH-H"	44.998201
"354165"	955.507451	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+Hac-H"	59.013851
"1502997"	507.260651	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Hac-H"	59.013851
"969443"	515.226951	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-H+NaCOOH"	66.980151
"121631"	483.216202	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+2Cl"	69.938804
"557914"	707.339602	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+2Cl"	69.938804
"1028173"	259.092802	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2Cl"	69.938804
"1247387"	527.165685	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Br"	78.918885
"1310930"	529.221672	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Cl+HCOOH"	80.974872
"1327332"	551.203629	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Cl+NaCOOH"	102.956829
"915109"	561.232386	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M-H+CF3COOH"	112.985586
"1291088"	597.209064	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Cl+CF3COOH"	148.962264
"1371073"	413.234124	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H-2H2O"	-35.012676
"1392945"	431.2441	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H-H2O"	-17.0027
"288258"	897.500876	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+H"	1.007276
"682865"	1345.747676	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+H"	1.007276
"1355932"	449.254076	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H"	1.007276
"133195"	449.254076	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+2H"	2.014552
"569476"	673.377476	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+2H"	2.014552
"1038998"	225.130676	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2H"	2.014552
"205559"	299.838476	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+3H"	3.021828
"645966"	449.254076	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+3H"	3.021828
"1164820"	150.422876	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+3H"	3.021828
"427491"	914.527423	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+NH4"	18.033823
"787034"	1362.774223	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+NH4"	18.033823
"1682273"	466.280623	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+NH4"	18.033823
"334930"	457.7673495	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+H+NH4"	19.041099
"733918"	681.8907495	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+H+NH4"	19.041099
"1488836"	233.6439495	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H+NH4"	19.041099
"403509"	919.482818	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+Na"	22.989218
"768149"	1367.729618	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+Na"	22.989218
"1613696"	471.236018	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Na"	22.989218
"327741"	460.245047	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+H+Na"	23.996494
"718705"	684.368447	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+H+Na"	23.996494
"1476952"	236.121647	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H+Na"	23.996494
"1066864"	157.75019	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2H+Na"	25.00377
"1271824"	481.280286	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+CH3OH+H"	33.033486
"392591"	935.456758	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+K"	38.963158
"752854"	1383.703558	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+K"	38.963158
"1555495"	487.209958	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+K"	38.963158
"313178"	468.232017	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+H+K"	39.970434
"706329"	692.355417	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+H+K"	39.970434
"1455046"	244.108617	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H+K"	39.970434
"239274"	938.527426	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+ACN+H"	42.033826
"1213074"	490.280626	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+ACN+H"	42.033826
"1198416"	245.643951	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+ACN+2H"	43.041102
"190920"	941.46476	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+2Na-H"	44.97116
"631940"	1389.71156	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+2Na-H"	44.97116
"1133994"	493.21796	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2Na-H"	44.97116
"178378"	471.236018	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+2Na"	45.978436
"619032"	695.359418	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+2Na"	45.978436
"1118405"	247.112618	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2Na"	45.978436
"1399983"	165.077504	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H+2Na"	46.985712
"1434897"	495.259546	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H+HCOOH"	47.012746
"222038"	476.26904	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+3H2O+2H"	56.04448
"1515940"	509.31159	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+IsoProp+H"	61.06479
"409792"	479.222988	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+Na+K"	61.952376
"778812"	703.346388	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+Na+K"	61.952376
"1672955"	255.099588	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Na+K"	61.952376
"258382"	960.509368	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+ACN+Na"	64.015768
"1227806"	512.262568	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+ACN+Na"	64.015768
"1728330"	512.286093	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+NH4+HCOOH"	64.039293
"1192867"	172.404818	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+3Na"	68.967654
"1658506"	517.241488	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Na+HCOOH"	68.994688
"165369"	973.41264	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+2K-H"	76.91904
"603838"	1421.65944	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+2K-H"	76.91904
"1093816"	525.16584	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2K-H"	76.91904
"145162"	487.209958	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"2M+2K"	77.926316
"584362"	711.333358	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"3M+2K"	77.926316
"1071791"	263.086558	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2K"	77.926316
"1103544"	527.180392	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2K+H"	78.933592
"1339927"	527.268007	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+DMSO+H"	79.021207
"1015022"	531.307176	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2ACN+H"	83.060376
"1530964"	532.300808	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+IsoProp+Na+H"	84.054008
"1001791"	266.157226	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+2ACN+2H"	84.067652
"1595203"	533.215428	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+K+HCOOH"	84.968628
"1425235"	563.246938	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+H+CF3COOH"	115.000138
"1156616"	286.670501	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+3ACN+2H"	125.094202
"1711633"	580.273485	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+NH4+CF3COOH"	132.026685
"1644003"	585.22888	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+Na+CF3COOH"	136.98208
"1578560"	601.20282	"C16566"	"Glutathionylaminopropylcadaverine"	"C18H36N6O5S"	"448.2468"	"M+K+CF3COOH"	152.95602
"814759"	737.32	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M"	0
"982459"	718.30161	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-H2O-H"	-19.01839
"68514"	490.539390666667	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M-3H"	-3.021828
"509166"	736.312724	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M-3H"	-3.021828
"880447"	244.766057333333	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-3H"	-3.021828
"4449"	736.312724	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M-2H"	-2.014552
"446195"	1104.972724	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M-2H"	-2.014552
"821810"	367.652724	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-2H"	-2.014552
"79859"	1473.632724	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M-H"	-1.007276
"522457"	2210.952724	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M-H"	-1.007276
"895804"	736.312724	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-H"	-1.007276
"49171"	1490.659271	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M-2H+NH4"	16.019271
"495295"	2227.979271	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M-2H+NH4"	16.019271
"864832"	753.339271	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-2H+NH4"	16.019271
"35528"	1495.614666	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M-2H+Na"	20.974666
"479463"	2232.934666	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M-2H+Na"	20.974666
"853985"	758.294666	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-2H+Na"	20.974666
"1630445"	758.294666	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Na-2H"	20.974666
"97860"	754.301063	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M-H+Cl"	33.962126
"545075"	1122.961063	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M-H+Cl"	33.962126
"935309"	385.641063	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-H+Cl"	33.962126
"276056"	1509.609402	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+Cl"	34.969402
"672125"	2246.929402	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+Cl"	34.969402
"1283436"	772.289402	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Cl"	34.969402
"28176"	1511.588606	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M-2H+K"	36.948606
"460811"	2248.908606	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M-2H+K"	36.948606
"844082"	774.268606	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-2H+K"	36.948606
"1565384"	774.268606	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+K-2H"	36.948606
"949988"	782.318194	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-H+HCOOH"	44.998194
"369294"	1519.638201	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+HCOOH-H"	44.998201
"354274"	1533.653851	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+Hac-H"	59.013851
"1504199"	796.333851	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Hac-H"	59.013851
"970646"	804.300151	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-H+NaCOOH"	66.980151
"120646"	772.289402	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+2Cl"	69.938804
"556565"	1140.949402	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+2Cl"	69.938804
"1027920"	403.629402	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2Cl"	69.938804
"1247497"	816.238885	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Br"	78.918885
"1313227"	818.294872	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Cl+HCOOH"	80.974872
"1327443"	840.276829	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Cl+NaCOOH"	102.956829
"915585"	850.305586	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M-H+CF3COOH"	112.985586
"1291562"	886.282264	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Cl+CF3COOH"	148.962264
"1372276"	702.307324	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H-2H2O"	-35.012676
"1394148"	720.3173	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H-H2O"	-17.0027
"289461"	1475.647276	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+H"	1.007276
"682975"	2212.967276	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+H"	1.007276
"1357135"	738.327276	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H"	1.007276
"133305"	738.327276	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+2H"	2.014552
"571772"	1106.987276	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+2H"	2.014552
"1038015"	369.667276	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2H"	2.014552
"205062"	492.553942666667	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+3H"	3.021828
"645471"	738.327276	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+3H"	3.021828
"1163715"	246.780609333333	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+3H"	3.021828
"427601"	1492.673823	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+NH4"	18.033823
"787508"	2229.993823	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+NH4"	18.033823
"1683111"	755.353823	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+NH4"	18.033823
"333217"	746.8405495	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+H+NH4"	19.041099
"730747"	1115.5005495	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+H+NH4"	19.041099
"1489676"	378.1805495	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H+NH4"	19.041099
"403255"	1497.629218	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+Na"	22.989218
"765342"	2234.949218	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+Na"	22.989218
"1613077"	760.309218	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Na"	22.989218
"326760"	749.318247	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+H+Na"	23.996494
"718085"	1117.978247	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+H+Na"	23.996494
"1473729"	380.658247	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H+Na"	23.996494
"1064423"	254.107923333333	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2H+Na"	25.00377
"1271452"	770.353486	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+CH3OH+H"	33.033486
"392461"	1513.603158	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+K"	38.963158
"752966"	2250.923158	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+K"	38.963158
"1554900"	776.283158	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+K"	38.963158
"311831"	757.305217	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+H+K"	39.970434
"705955"	1125.965217	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+H+K"	39.970434
"1455156"	388.645217	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H+K"	39.970434
"241571"	1516.673826	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+ACN+H"	42.033826
"1214278"	779.353826	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+ACN+H"	42.033826
"1199254"	390.180551	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+ACN+2H"	43.041102
"193218"	1519.61116	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+2Na-H"	44.97116
"629498"	2256.93116	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+2Na-H"	44.97116
"1135195"	782.29116	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2Na-H"	44.97116
"175327"	760.309218	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+2Na"	45.978436
"618049"	1128.969218	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+2Na"	45.978436
"1118515"	391.649218	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2Na"	45.978436
"1398480"	261.435237333333	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H+2Na"	46.985712
"1435007"	784.332746	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H+HCOOH"	47.012746
"220690"	765.34224	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+3H2O+2H"	56.04448
"1516050"	798.38479	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+IsoProp+H"	61.06479
"409538"	768.296188	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+Na+K"	61.952376
"780015"	1136.956188	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+Na+K"	61.952376
"1674158"	399.636188	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Na+K"	61.952376
"259585"	1538.655768	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+ACN+Na"	64.015768
"1227916"	801.335768	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+ACN+Na"	64.015768
"1728196"	801.359293	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+NH4+HCOOH"	64.039293
"1189818"	268.762551333333	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+3Na"	68.967654
"1656429"	806.314688	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Na+HCOOH"	68.994688
"165479"	1551.55904	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+2K-H"	76.91904
"607228"	2288.87904	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+2K-H"	76.91904
"1093926"	814.23904	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2K-H"	76.91904
"145272"	776.283158	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"2M+2K"	77.926316
"582649"	1144.943158	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"3M+2K"	77.926316
"1072631"	407.623158	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2K"	77.926316
"1101467"	816.253592	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2K+H"	78.933592
"1338944"	816.341207	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+DMSO+H"	79.021207
"1011852"	820.380376	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2ACN+H"	83.060376
"1531074"	821.374008	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+IsoProp+Na+H"	84.054008
"1002995"	410.693826	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+2ACN+2H"	84.067652
"1599686"	822.288628	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+K+HCOOH"	84.968628
"1426439"	852.320138	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+H+CF3COOH"	115.000138
"1157819"	431.207101	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+3ACN+2H"	125.094202
"1712351"	869.346685	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+NH4+CF3COOH"	132.026685
"1644113"	874.30208	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+Na+CF3COOH"	136.98208
"1578670"	890.27602	"C16567"	"Homotrypanothione;N1N9-Bis(glutathionyl)aminopropylcadaverine"	"C28H51N9O10S2"	"737.32"	"M+K+CF3COOH"	152.95602
"815233"	735.3044	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M"	0
"987673"	716.28601	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-H2O-H"	-19.01839
"68624"	489.195657333333	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M-3H"	-3.021828
"509276"	734.297124	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M-3H"	-3.021828
"884889"	244.094190666667	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-3H"	-3.021828
"5652"	734.297124	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M-2H"	-2.014552
"449585"	1101.949324	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M-2H"	-2.014552
"825200"	366.644924	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-2H"	-2.014552
"79969"	1469.601524	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M-H"	-1.007276
"524754"	2204.905924	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M-H"	-1.007276
"900374"	734.297124	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-H"	-1.007276
"50374"	1486.628071	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M-2H+NH4"	16.019271
"491030"	2221.932471	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M-2H+NH4"	16.019271
"866643"	751.323671	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-2H+NH4"	16.019271
"33084"	1491.583466	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M-2H+Na"	20.974666
"476291"	2226.887866	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M-2H+Na"	20.974666
"854094"	756.279066	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-2H+Na"	20.974666
"1621441"	756.279066	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Na-2H"	20.974666
"95782"	752.285463	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M-H+Cl"	33.962126
"538624"	1119.937663	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M-H+Cl"	33.962126
"931044"	384.633263	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-H+Cl"	33.962126
"270698"	1505.578202	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+Cl"	34.969402
"671503"	2240.882602	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+Cl"	34.969402
"1283181"	770.273802	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Cl"	34.969402
"23546"	1507.557406	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M-2H+K"	36.948606
"463106"	2242.861806	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M-2H+K"	36.948606
"842006"	772.253006	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-2H+K"	36.948606
"1565495"	772.253006	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+K-2H"	36.948606
"950096"	780.302594	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-H+HCOOH"	44.998194
"368311"	1515.607001	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+HCOOH-H"	44.998201
"355476"	1529.622651	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+Hac-H"	59.013851
"1503214"	794.318251	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Hac-H"	59.013851
"968568"	802.284551	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-H+NaCOOH"	66.980151
"117476"	770.273802	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+2Cl"	69.938804
"551935"	1137.926002	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+2Cl"	69.938804
"1031309"	402.621602	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2Cl"	69.938804
"1247606"	814.223285	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Br"	78.918885
"1314430"	816.279272	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Cl+HCOOH"	80.974872
"1328645"	838.261229	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Cl+NaCOOH"	102.956829
"917517"	848.289986	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M-H+CF3COOH"	112.985586
"1292401"	884.266664	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Cl+CF3COOH"	148.962264
"1372021"	700.291724	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H-2H2O"	-35.012676
"1392069"	718.3017	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H-H2O"	-17.0027
"284832"	1471.616076	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+H"	1.007276
"677617"	2206.920476	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+H"	1.007276
"1358339"	736.311676	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H"	1.007276
"130134"	736.311676	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+2H"	2.014552
"570788"	1103.963876	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+2H"	2.014552
"1038488"	368.659476	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2H"	2.014552
"205172"	491.210209333333	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+3H"	3.021828
"645580"	736.311676	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+3H"	3.021828
"1163820"	246.108742666667	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+3H"	3.021828
"427345"	1488.642623	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+NH4"	18.033823
"789072"	2223.947023	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+NH4"	18.033823
"1683221"	753.338223	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+NH4"	18.033823
"335150"	744.8249495	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+H+NH4"	19.041099
"730858"	1112.4771495	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+H+NH4"	19.041099
"1490148"	377.1727495	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H+NH4"	19.041099
"407373"	1493.598018	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+Na"	22.989218
"768975"	2228.902418	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+Na"	22.989218
"1616832"	758.293618	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Na"	22.989218
"328329"	747.302647	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+H+Na"	23.996494
"718559"	1114.954847	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+H+Na"	23.996494
"1474204"	379.650447	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H+Na"	23.996494
"1065261"	253.436056666667	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2H+Na"	25.00377
"1271075"	768.337886	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+CH3OH+H"	33.033486
"392130"	1509.571958	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+K"	38.963158
"752346"	2244.876358	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+K"	38.963158
"1552578"	774.267558	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+K"	38.963158
"312306"	755.289617	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+H+K"	39.970434
"704362"	1122.941817	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+H+K"	39.970434
"1456357"	387.637417	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H+K"	39.970434
"242774"	1512.642626	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+ACN+H"	42.033826
"1216574"	777.338226	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+ACN+H"	42.033826
"1201550"	389.172751	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+ACN+2H"	43.041102
"192235"	1515.57996	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+2Na-H"	44.97116
"629119"	2250.88436	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+2Na-H"	44.97116
"1136398"	780.27556	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2Na-H"	44.97116
"177502"	758.293618	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+2Na"	45.978436
"619252"	1125.945818	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+2Na"	45.978436
"1121662"	390.641418	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2Na"	45.978436
"1399838"	260.763370666667	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H+2Na"	46.985712
"1436210"	782.317146	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H+HCOOH"	47.012746
"222623"	763.32664	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+3H2O+2H"	56.04448
"1516160"	796.36919	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+IsoProp+H"	61.06479
"411470"	766.280588	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+Na+K"	61.952376
"779031"	1133.932788	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+Na+K"	61.952376
"1672082"	398.628388	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Na+K"	61.952376
"260788"	1534.624568	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+ACN+Na"	64.015768
"1229120"	799.320168	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+ACN+Na"	64.015768
"1722381"	799.343693	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+NH4+HCOOH"	64.039293
"1192115"	268.090684666667	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+3Na"	68.967654
"1657632"	804.299088	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Na+HCOOH"	68.994688
"162306"	1547.52784	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+2K-H"	76.91904
"604059"	2282.83224	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+2K-H"	76.91904
"1090757"	812.22344	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2K-H"	76.91904
"144291"	774.267558	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"2M+2K"	77.926316
"582150"	1141.919758	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"3M+2K"	77.926316
"1070555"	406.615358	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2K"	77.926316
"1102670"	814.237992	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2K+H"	78.933592
"1339055"	814.325607	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+DMSO+H"	79.021207
"1009776"	818.364776	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2ACN+H"	83.060376
"1530091"	819.358408	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+IsoProp+Na+H"	84.054008
"1003104"	409.686026	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+2ACN+2H"	84.067652
"1599796"	820.273028	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+K+HCOOH"	84.968628
"1422174"	850.304538	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+H+CF3COOH"	115.000138
"1156835"	430.199301	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+3ACN+2H"	125.094202
"1710396"	867.331085	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+NH4+CF3COOH"	132.026685
"1646411"	872.28648	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+Na+CF3COOH"	136.98208
"1578780"	888.26042	"C16568"	"Homotrypanothione disulfide"	"C28H49N9O10S2"	"735.3044"	"M+K+CF3COOH"	152.95602
"812427"	178.1106	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M"	0
"979399"	159.09221	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-H2O-H"	-19.01839
"65453"	117.733124	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M-3H"	-3.021828
"506106"	177.103324	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M-3H"	-3.021828
"881718"	58.362924	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-3H"	-3.021828
"7948"	177.103324	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M-2H"	-2.014552
"448600"	266.158624	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M-2H"	-2.014552
"822028"	88.048024	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-2H"	-2.014552
"82024"	355.213924	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M-H"	-1.007276
"522679"	533.324524	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M-H"	-1.007276
"903765"	177.103324	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-H"	-1.007276
"54858"	372.240471	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M-2H+NH4"	16.019271
"489195"	550.351071	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M-2H+NH4"	16.019271
"868939"	194.129871	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-2H+NH4"	16.019271
"37932"	377.195866	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M-2H+Na"	20.974666
"482958"	555.306466	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M-2H+Na"	20.974666
"857481"	199.085266	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-2H+Na"	20.974666
"1621550"	199.085266	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Na-2H"	20.974666
"99170"	195.091663	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M-H+Cl"	33.962126
"538731"	284.146963	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M-H+Cl"	33.962126
"928964"	106.036363	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-H+Cl"	33.962126
"272994"	391.190602	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+Cl"	34.969402
"668695"	569.301202	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+Cl"	34.969402
"1276723"	213.080002	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Cl"	34.969402
"20373"	393.169806	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M-2H+K"	36.948606
"457743"	571.280406	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M-2H+K"	36.948606
"837739"	215.059206	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-2H+K"	36.948606
"1560136"	215.059206	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+K-2H"	36.948606
"948017"	223.108794	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-H+HCOOH"	44.998194
"368419"	401.219401	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+HCOOH-H"	44.998201
"353762"	415.235051	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+Hac-H"	59.013851
"1503324"	237.124451	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Hac-H"	59.013851
"962116"	245.090751	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-H+NaCOOH"	66.980151
"113938"	213.080002	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+2Cl"	69.938804
"556420"	302.135302	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+2Cl"	69.938804
"1033608"	124.024702	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2Cl"	69.938804
"1248808"	257.029485	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Br"	78.918885
"1315270"	259.085472	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Cl+HCOOH"	80.974872
"1326567"	281.067429	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Cl+NaCOOH"	102.956829
"914708"	291.096186	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M-H+CF3COOH"	112.985586
"1291779"	327.072864	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Cl+CF3COOH"	148.962264
"1371398"	143.097924	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H-2H2O"	-35.012676
"1383911"	161.1079	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H-H2O"	-17.0027
"284208"	357.228476	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+H"	1.007276
"676994"	535.339076	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+H"	1.007276
"1351998"	179.117876	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H"	1.007276
"126346"	179.117876	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+2H"	2.014552
"566884"	268.173176	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+2H"	2.014552
"1038711"	90.062576	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2H"	2.014552
"205764"	119.747676	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+3H"	3.021828
"645082"	179.117876	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+3H"	3.021828
"1164418"	60.377476	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+3H"	3.021828
"428914"	374.255023	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+NH4"	18.033823
"789182"	552.365623	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+NH4"	18.033823
"1682967"	196.144423	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+NH4"	18.033823
"331606"	187.6311495	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+H+NH4"	19.041099
"727686"	276.6864495	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+H+NH4"	19.041099
"1489164"	98.5758495	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H+NH4"	19.041099
"406750"	379.210418	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+Na"	22.989218
"768839"	557.321018	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+Na"	22.989218
"1616936"	201.099818	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Na"	22.989218
"329290"	190.108847	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+H+Na"	23.996494
"722077"	279.164147	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+H+Na"	23.996494
"1476705"	101.053547	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H+Na"	23.996494
"1067194"	67.70479	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2H+Na"	25.00377
"1269966"	211.144086	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+CH3OH+H"	33.033486
"388912"	395.184358	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+K"	38.963158
"752457"	573.294958	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+K"	38.963158
"1554876"	217.073758	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+K"	38.963158
"311318"	198.095817	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+H+K"	39.970434
"704833"	287.151117	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+H+K"	39.970434
"1458655"	109.040517	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H+K"	39.970434
"241789"	398.255026	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+ACN+H"	42.033826
"1217775"	220.144426	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+ACN+H"	42.033826
"1199470"	110.575851	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+ACN+2H"	43.041102
"196716"	401.19236	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+2Na-H"	44.97116
"635182"	579.30296	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+2Na-H"	44.97116
"1135414"	223.08176	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2Na-H"	44.97116
"177612"	201.099818	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+2Na"	45.978436
"618269"	290.155118	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+2Na"	45.978436
"1119586"	112.044518	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2Na"	45.978436
"1399218"	75.032104	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H+2Na"	46.985712
"1433038"	225.123346	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H+HCOOH"	47.012746
"220300"	206.13284	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+3H2O+2H"	56.04448
"1516270"	239.17539	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+IsoProp+H"	61.06479
"410486"	209.086788	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+Na+K"	61.952376
"775862"	298.142088	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+Na+K"	61.952376
"1672191"	120.031488	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Na+K"	61.952376
"254336"	420.236968	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+ACN+Na"	64.015768
"1230325"	242.126368	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+ACN+Na"	64.015768
"1719211"	242.149893	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+NH4+HCOOH"	64.039293
"1182377"	82.359418	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+3Na"	68.967654
"1655556"	247.105288	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Na+HCOOH"	68.994688
"161322"	433.14024	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+2K-H"	76.91904
"601976"	611.25084	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+2K-H"	76.91904
"1088678"	255.02964	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2K-H"	76.91904
"145495"	217.073758	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"2M+2K"	77.926316
"582502"	306.129058	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"3M+2K"	77.926316
"1070665"	128.018458	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2K"	77.926316
"1100103"	257.044192	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2K+H"	78.933592
"1336367"	257.131807	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+DMSO+H"	79.021207
"1008792"	261.170976	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2ACN+H"	83.060376
"1527284"	262.164608	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+IsoProp+Na+H"	84.054008
"1002121"	131.089126	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+2ACN+2H"	84.067652
"1602096"	263.079228	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+K+HCOOH"	84.968628
"1422284"	293.110738	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+H+CF3COOH"	115.000138
"1156945"	151.602401	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+3ACN+2H"	125.094202
"1711600"	310.137285	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+NH4+CF3COOH"	132.026685
"1646521"	315.09268	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+Na+CF3COOH"	136.98208
"1578890"	331.06662	"C16569"	"Glycinexylidide;GX"	"C10H14N2O"	"178.1106"	"M+K+CF3COOH"	152.95602
"812537"	137.0841	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M"	0
"982789"	118.06571	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"67750"	90.382124	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"508403"	136.076824	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"885109"	44.687424	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"8058"	136.076824	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"449804"	204.618874	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"822138"	67.534774	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"82134"	273.160924	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"521695"	410.245024	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"901689"	136.076824	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"53875"	290.187471	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"489063"	427.271571	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"870142"	153.103371	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"42416"	295.142866	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"485256"	432.226966	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"859778"	158.058766	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1621660"	158.058766	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"99280"	154.065163	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"538841"	222.607213	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"931263"	85.523113	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"269825"	309.137602	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"662609"	446.221702	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1276833"	172.053502	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"23763"	311.116806	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"457852"	448.200906	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"835656"	174.032706	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1560246"	174.032706	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"947033"	182.082294	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"367436"	319.166401	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"351685"	333.182051	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1500518"	196.097951	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"962590"	204.064251	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"114777"	172.053502	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"554343"	240.595552	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1031166"	103.511452	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1248918"	216.002985	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1315380"	218.058972	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1327770"	240.040929	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"917006"	250.069686	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1292256"	286.046364	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1371876"	102.071424	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1384997"	120.0814	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"287965"	275.175476	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"678196"	412.259576	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1352475"	138.091376	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"126338"	138.091376	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"566141"	206.633426	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1039069"	69.549326	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"204781"	92.396676	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"644705"	138.091376	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1163194"	46.701976	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"425376"	292.202023	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"787100"	429.286123	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1681738"	155.117923	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"330048"	146.6046495	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"727796"	215.1466995	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1492558"	78.0625995	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"407473"	297.157418	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"769845"	434.241518	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1615954"	160.073318	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"329397"	149.082347	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"717321"	217.624397	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1471141"	80.540297	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1065481"	54.02929	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1269348"	170.117586	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"389020"	313.131358	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"751106"	450.215458	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1554986"	176.047258	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"310335"	157.069317	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"701663"	225.611367	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1457670"	88.527267	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"244086"	316.202026	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1214607"	179.117926	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1198489"	90.062601	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"196826"	319.13936	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"634199"	456.22346	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1131630"	182.05526	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"173952"	160.073318	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"618376"	228.615368	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1117870"	91.531268	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1399692"	61.356604	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1432420"	184.096846	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"221382"	165.10634	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1516381"	198.14889	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"413879"	168.060288	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"777065"	236.602338	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1673394"	99.518238	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"254446"	338.183968	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1230436"	201.099868	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1714947"	201.123393	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1181394"	68.683918	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1655666"	206.078788	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"165807"	351.08724	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"604273"	488.17134	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1088787"	214.00314	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"143782"	176.047258	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"582981"	244.589308	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1069558"	107.505208	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1101797"	216.017692	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1338181"	216.105307	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1007076"	220.144476	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1525206"	221.138108	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"1002960"	110.575876	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1598922"	222.052728	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1422394"	252.084238	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1154868"	131.089151	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1709887"	269.110785	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1646267"	274.06618	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1579000"	290.04012	"C16570"	"4-Hydroxy-26-dimethylaniline;35-Dimethyl-4-aminophenol"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"812647"	151.0633	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M"	0
"982899"	132.04491	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"68953"	99.7015906666667	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"510699"	150.056024	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"893967"	49.3471573333333	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"9262"	150.056024	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"449914"	225.587674	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"823341"	74.524374	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"86617"	301.119324	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"525085"	452.182624	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"905079"	150.056024	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"55078"	318.145871	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"493548"	469.209171	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"869160"	167.082571	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"45808"	323.101266	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"479898"	474.164566	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"860982"	172.037966	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1628328"	172.037966	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"96112"	168.044363	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"537128"	243.576013	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"928456"	92.512713	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"271025"	337.096002	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"662349"	488.159302	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1277305"	186.032702	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"19499"	339.075206	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"457966"	490.138506	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"835770"	188.011906	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1561449"	188.011906	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"946778"	196.061494	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"367548"	347.124801	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"356899"	361.140451	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1500628"	210.077151	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"962335"	218.043451	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"114158"	186.032702	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"552993"	261.564352	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1035286"	110.501052	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1249030"	229.982185	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1312573"	232.038172	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1330067"	254.020129	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"914200"	264.048886	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1291637"	300.025564	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1371986"	116.050624	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1385107"	134.0606	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"287711"	303.133876	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"676603"	454.197176	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1351411"	152.070576	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"126086"	152.070576	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"566740"	227.602226	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1038573"	76.538926	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"204893"	101.716142666667	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"644238"	152.070576	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1163667"	51.3617093333333	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"425849"	320.160423	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"787209"	471.223723	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1682095"	169.097123	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"330080"	160.5838495	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"730091"	236.1154995	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1492546"	85.0521995	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"406969"	325.115818	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"769758"	476.179118	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1618057"	174.052518	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"329626"	163.061547	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"721077"	238.593197	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1472346"	87.529897	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1063405"	58.6890233333333	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1271645"	184.096786	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"390588"	341.089758	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"753402"	492.153058	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1553275"	190.026458	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"313850"	171.048517	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"702864"	246.580167	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1452311"	95.516867	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"247475"	344.160426	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1216904"	193.097126	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1201878"	97.052201	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"195843"	347.09776	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"633216"	498.16106	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1132595"	196.03446	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"173068"	174.052518	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"617393"	249.584168	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1119075"	98.520868	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1398552"	66.0163373333333	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1434353"	198.076046	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"221494"	179.08554	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1516491"	212.12809	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"413988"	182.039488	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"780456"	257.571138	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1672414"	106.507838	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"258931"	366.142368	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1229452"	215.079068	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1720524"	215.102593	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1183691"	73.3436513333333	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1660150"	220.057988	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"167010"	379.04564	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"608758"	530.10894	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1089991"	227.98234	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"144620"	190.026458	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"584185"	265.558108	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1070034"	114.494808	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1102149"	229.996892	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1337440"	230.084507	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1008159"	234.123676	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1527139"	235.117308	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"1001247"	117.565476	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1602070"	236.031928	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1421409"	266.063438	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1151698"	138.078751	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1703435"	283.089985	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1644553"	288.04538	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1579110"	304.01932	"C16571"	"2-Amino-3-methylbenzoate"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"814945"	222.1368	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M"	0
"983009"	203.11841	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-H2O-H"	-19.01839
"71250"	147.083924	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M-3H"	-3.021828
"509716"	221.129524	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M-3H"	-3.021828
"882413"	73.038324	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-3H"	-3.021828
"6089"	221.129524	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M-2H"	-2.014552
"446743"	332.197924	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M-2H"	-2.014552
"823451"	110.061124	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-2H"	-2.014552
"83082"	443.266324	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M-H"	-1.007276
"523009"	665.403124	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M-H"	-1.007276
"901909"	221.129524	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-H"	-1.007276
"50814"	460.292871	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M-2H+NH4"	16.019271
"493653"	682.429671	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M-2H+NH4"	16.019271
"864896"	238.156071	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-2H+NH4"	16.019271
"33159"	465.248266	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M-2H+Na"	20.974666
"477821"	687.385066	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M-2H+Na"	20.974666
"850156"	243.111466	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-2H+Na"	20.974666
"1620784"	243.111466	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Na-2H"	20.974666
"96584"	239.117863	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M-H+Cl"	33.962126
"536138"	350.186263	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M-H+Cl"	33.962126
"927468"	128.049463	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-H+Cl"	33.962126
"268583"	479.243002	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+Cl"	34.969402
"660878"	701.379802	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+Cl"	34.969402
"1275958"	257.106202	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Cl"	34.969402
"18516"	481.222206	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M-2H+K"	36.948606
"457468"	703.359006	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M-2H+K"	36.948606
"835151"	259.085406	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-2H+K"	36.948606
"1559735"	259.085406	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+K-2H"	36.948606
"943968"	267.134994	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-H+HCOOH"	44.998194
"362915"	489.271801	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+HCOOH-H"	44.998201
"350811"	503.287451	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+Hac-H"	59.013851
"1496728"	281.150651	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Hac-H"	59.013851
"962080"	289.116951	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-H+NaCOOH"	66.980151
"111714"	257.106202	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+2Cl"	69.938804
"552010"	368.174602	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+2Cl"	69.938804
"1032480"	146.037802	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2Cl"	69.938804
"1246223"	301.055685	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Br"	78.918885
"1312683"	303.111672	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Cl+HCOOH"	80.974872
"1325074"	325.093629	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Cl+NaCOOH"	102.956829
"913942"	335.122386	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M-H+CF3COOH"	112.985586
"1290284"	371.099064	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Cl+CF3COOH"	148.962264
"1371002"	187.124124	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H-2H2O"	-35.012676
"1384120"	205.1341	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H-H2O"	-17.0027
"285998"	445.280876	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+H"	1.007276
"677322"	667.417676	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+H"	1.007276
"1351373"	223.144076	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H"	1.007276
"126109"	223.144076	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+2H"	2.014552
"566240"	334.212476	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+2H"	2.014552
"1037222"	112.075676	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2H"	2.014552
"204592"	149.098476	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+3H"	3.021828
"644758"	223.144076	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+3H"	3.021828
"1163164"	75.052876	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+3H"	3.021828
"425226"	462.307423	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+NH4"	18.033823
"786216"	684.444223	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+NH4"	18.033823
"1682199"	240.170623	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+NH4"	18.033823
"330354"	231.6573495	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+H+NH4"	19.041099
"730196"	342.7257495	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+H+NH4"	19.041099
"1491682"	120.5889495	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H+NH4"	19.041099
"407934"	467.262818	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+Na"	22.989218
"768075"	689.399618	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+Na"	22.989218
"1617146"	245.126018	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Na"	22.989218
"329253"	234.135047	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+H+Na"	23.996494
"720698"	345.203447	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+H+Na"	23.996494
"1471362"	123.066647	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H+Na"	23.996494
"1063515"	82.38019	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2H+Na"	25.00377
"1271270"	255.170286	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+CH3OH+H"	33.033486
"389240"	483.236758	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+K"	38.963158
"752419"	705.373558	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+K"	38.963158
"1552655"	261.099958	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+K"	38.963158
"313470"	242.122017	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+H+K"	39.970434
"700788"	353.190417	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+H+K"	39.970434
"1452421"	131.053617	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H+K"	39.970434
"241022"	486.307426	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+ACN+H"	42.033826
"1217014"	264.170626	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+ACN+H"	42.033826
"1198709"	132.588951	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+ACN+2H"	43.041102
"192673"	489.24476	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+2Na-H"	44.97116
"632233"	711.38156	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+2Na-H"	44.97116
"1132091"	267.10796	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2Na-H"	44.97116
"173003"	245.126018	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+2Na"	45.978436
"613073"	356.194418	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+2Na"	45.978436
"1115782"	134.057618	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2Na"	45.978436
"1398576"	89.707504	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H+2Na"	46.985712
"1430151"	269.149546	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H+HCOOH"	47.012746
"219998"	250.15904	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+3H2O+2H"	56.04448
"1514414"	283.20159	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+IsoProp+H"	61.06479
"411180"	253.112988	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+Na+K"	61.952376
"780202"	364.181388	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+Na+K"	61.952376
"1672524"	142.044588	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Na+K"	61.952376
"260134"	508.289368	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+ACN+Na"	64.015768
"1228469"	286.152568	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+ACN+Na"	64.015768
"1719541"	286.176093	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+NH4+HCOOH"	64.039293
"1181614"	97.034818	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+3Na"	68.967654
"1660260"	291.131488	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Na+HCOOH"	68.994688
"167120"	521.19264	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+2K-H"	76.91904
"607774"	743.32944	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+2K-H"	76.91904
"1088277"	299.05584	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2K-H"	76.91904
"145094"	261.099958	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"2M+2K"	77.926316
"584295"	372.168358	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"3M+2K"	77.926316
"1070996"	150.031558	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2K"	77.926316
"1104205"	301.070392	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2K+H"	78.933592
"1341682"	301.158007	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+DMSO+H"	79.021207
"1007176"	305.197176	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2ACN+H"	83.060376
"1528342"	306.190808	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+IsoProp+Na+H"	84.054008
"1005578"	153.102226	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+2ACN+2H"	84.067652
"1601937"	307.105428	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+K+HCOOH"	84.968628
"1422614"	337.136938	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+H+CF3COOH"	115.000138
"1150714"	173.615501	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+3ACN+2H"	125.094202
"1703545"	354.163485	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+NH4+CF3COOH"	132.026685
"1644663"	359.11888	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+Na+CF3COOH"	136.98208
"1579220"	375.09282	"C16572"	"3-Hydroxymonoethylglycinexylidide"	"C12H18N2O2"	"222.1368"	"M+K+CF3COOH"	152.95602
"812869"	290.1994	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M"	0
"983119"	271.18101	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H2O-H"	-19.01839
"66987"	192.458990666667	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-3H"	-3.021828
"508733"	289.192124	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-3H"	-3.021828
"880702"	95.7258573333333	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-3H"	-3.021828
"3649"	289.192124	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H"	-2.014552
"444667"	434.291824	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H"	-2.014552
"825749"	144.092424	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H"	-2.014552
"82464"	579.391524	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-H"	-1.007276
"523119"	869.590924	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-H"	-1.007276
"902017"	289.192124	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H"	-1.007276
"50925"	596.418071	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H+NH4"	16.019271
"497043"	886.617471	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H+NH4"	16.019271
"864638"	306.218671	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H+NH4"	16.019271
"32054"	601.373466	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H+Na"	20.974666
"474651"	891.572866	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H+Na"	20.974666
"851359"	311.174066	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H+Na"	20.974666
"1619798"	311.174066	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na-2H"	20.974666
"98515"	307.180463	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-H+Cl"	33.962126
"534383"	452.280163	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-H+Cl"	33.962126
"927144"	162.080763	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+Cl"	33.962126
"268450"	615.368202	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Cl"	34.969402
"660462"	905.567602	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+Cl"	34.969402
"1275339"	325.168802	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl"	34.969402
"17530"	617.347406	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H+K"	36.948606
"456321"	907.546806	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H+K"	36.948606
"833558"	327.148006	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H+K"	36.948606
"1558386"	327.148006	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K-2H"	36.948606
"944081"	335.197594	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+HCOOH"	44.998194
"362782"	625.397001	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+HCOOH-H"	44.998201
"350555"	639.412651	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Hac-H"	59.013851
"1497201"	349.213251	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Hac-H"	59.013851
"959271"	357.179551	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+NaCOOH"	66.980151
"110730"	325.168802	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2Cl"	69.938804
"552120"	470.268502	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2Cl"	69.938804
"1030768"	180.069102	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2Cl"	69.938804
"1245604"	369.118285	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Br"	78.918885
"1311700"	371.174272	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl+HCOOH"	80.974872
"1324819"	393.156229	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl+NaCOOH"	102.956829
"915148"	403.184986	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+CF3COOH"	112.985586
"1291490"	439.161664	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl+CF3COOH"	148.962264
"1369652"	255.186724	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H-2H2O"	-35.012676
"1385691"	273.1967	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H-H2O"	-17.0027
"287931"	581.406076	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H"	1.007276
"676580"	871.605476	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H"	1.007276
"1352077"	291.206676	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H"	1.007276
"126092"	291.206676	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2H"	2.014552
"565979"	436.306376	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2H"	2.014552
"1038181"	146.106976	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2H"	2.014552
"205842"	194.473542666667	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+3H"	3.021828
"645033"	291.206676	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+3H"	3.021828
"1163521"	97.7404093333333	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+3H"	3.021828
"424725"	598.432623	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+NH4"	18.033823
"786695"	888.632023	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+NH4"	18.033823
"1684131"	308.233223	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+NH4"	18.033823
"331074"	299.7199495	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H+NH4"	19.041099
"730306"	444.8196495	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H+NH4"	19.041099
"1491793"	154.6202495	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+NH4"	19.041099
"407189"	603.388018	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Na"	22.989218
"768185"	893.587418	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+Na"	22.989218
"1617991"	313.188618	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na"	22.989218
"328146"	302.197647	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H+Na"	23.996494
"719836"	447.297347	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H+Na"	23.996494
"1474747"	157.097947	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+Na"	23.996494
"1063625"	105.067723333333	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2H+Na"	25.00377
"1268584"	323.232886	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+CH3OH+H"	33.033486
"387164"	619.361958	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+K"	38.963158
"752531"	909.561358	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+K"	38.963158
"1553490"	329.162558	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K"	38.963158
"309570"	310.184617	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H+K"	39.970434
"700898"	455.284317	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H+K"	39.970434
"1452531"	165.084917	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+K"	39.970434
"240039"	622.432626	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+ACN+H"	42.033826
"1214937"	332.233226	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+ACN+H"	42.033826
"1197726"	166.620251	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+ACN+2H"	43.041102
"193877"	625.36996	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2Na-H"	44.97116
"631977"	915.56936	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2Na-H"	44.97116
"1132564"	335.17056	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2Na-H"	44.97116
"173264"	313.188618	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2Na"	45.978436
"613590"	458.288318	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2Na"	45.978436
"1116366"	168.088918	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2Na"	45.978436
"1398797"	112.395037333333	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+2Na"	46.985712
"1430108"	337.212146	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+HCOOH"	47.012746
"220452"	318.22164	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+3H2O+2H"	56.04448
"1514524"	351.26419	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+IsoProp+H"	61.06479
"410926"	321.175588	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Na+K"	61.952376
"779582"	466.275288	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+Na+K"	61.952376
"1674820"	176.075888	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na+K"	61.952376
"253684"	644.414568	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+ACN+Na"	64.015768
"1230766"	354.215168	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+ACN+Na"	64.015768
"1718558"	354.238693	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+NH4+HCOOH"	64.039293
"1182818"	119.722351333333	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+3Na"	68.967654
"1661464"	359.194088	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na+HCOOH"	68.994688
"163950"	657.31784	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2K-H"	76.91904
"607884"	947.51724	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2K-H"	76.91904
"1087295"	367.11844	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2K-H"	76.91904
"144112"	329.162558	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2K"	77.926316
"584405"	474.262258	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2K"	77.926316
"1069037"	184.062858	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2K"	77.926316
"1100425"	369.132992	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2K+H"	78.933592
"1337048"	369.220607	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+DMSO+H"	79.021207
"1007407"	373.259776	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2ACN+H"	83.060376
"1527359"	374.253408	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+IsoProp+Na+H"	84.054008
"1005631"	187.133526	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2ACN+2H"	84.067652
"1602047"	375.168028	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K+HCOOH"	84.968628
"1424911"	405.199538	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+CF3COOH"	115.000138
"1150824"	207.646801	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+3ACN+2H"	125.094202
"1706936"	422.226085	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+NH4+CF3COOH"	132.026685
"1646961"	427.18148	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na+CF3COOH"	136.98208
"1579330"	443.15542	"C16573"	"3-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K+CF3COOH"	152.95602
"812978"	290.1994	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M"	0
"983229"	271.18101	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H2O-H"	-19.01839
"67097"	192.458990666667	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-3H"	-3.021828
"508843"	289.192124	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-3H"	-3.021828
"881176"	95.7258573333333	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-3H"	-3.021828
"3759"	289.192124	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H"	-2.014552
"446964"	434.291824	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H"	-2.014552
"826952"	144.092424	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H"	-2.014552
"82574"	579.391524	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-H"	-1.007276
"523229"	869.590924	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-H"	-1.007276
"903221"	289.192124	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H"	-1.007276
"55407"	596.418071	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H+NH4"	16.019271
"496060"	886.617471	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H+NH4"	16.019271
"866210"	306.218671	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H+NH4"	16.019271
"32406"	601.373466	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H+Na"	20.974666
"476948"	891.572866	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H+Na"	20.974666
"854749"	311.174066	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H+Na"	20.974666
"1622095"	311.174066	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na-2H"	20.974666
"105185"	307.180463	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-H+Cl"	33.962126
"535025"	452.280163	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-H+Cl"	33.962126
"927690"	162.080763	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+Cl"	33.962126
"270261"	615.368202	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Cl"	34.969402
"660614"	905.567602	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+Cl"	34.969402
"1275449"	325.168802	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl"	34.969402
"18004"	617.347406	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M-2H+K"	36.948606
"458296"	907.546806	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M-2H+K"	36.948606
"833911"	327.148006	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-2H+K"	36.948606
"1559225"	327.148006	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K-2H"	36.948606
"944920"	335.197594	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+HCOOH"	44.998194
"363135"	625.397001	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+HCOOH-H"	44.998201
"351394"	639.412651	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Hac-H"	59.013851
"1494393"	349.213251	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Hac-H"	59.013851
"959619"	357.179551	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+NaCOOH"	66.980151
"111326"	325.168802	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2Cl"	69.938804
"551500"	470.268502	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2Cl"	69.938804
"1028689"	180.069102	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2Cl"	69.938804
"1246808"	369.118285	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Br"	78.918885
"1316183"	371.174272	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl+HCOOH"	80.974872
"1326023"	393.156229	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl+NaCOOH"	102.956829
"914529"	403.184986	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M-H+CF3COOH"	112.985586
"1291966"	439.161664	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Cl+CF3COOH"	148.962264
"1373408"	255.186724	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H-2H2O"	-35.012676
"1385437"	273.1967	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H-H2O"	-17.0027
"284635"	581.406076	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H"	1.007276
"677421"	871.605476	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H"	1.007276
"1352067"	291.206676	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H"	1.007276
"126410"	291.206676	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2H"	2.014552
"565703"	436.306376	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2H"	2.014552
"1037062"	146.106976	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2H"	2.014552
"204408"	194.473542666667	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+3H"	3.021828
"644301"	291.206676	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+3H"	3.021828
"1163627"	97.7404093333333	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+3H"	3.021828
"424835"	598.432623	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+NH4"	18.033823
"786804"	888.632023	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+NH4"	18.033823
"1683144"	308.233223	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+NH4"	18.033823
"332153"	299.7199495	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H+NH4"	19.041099
"724210"	444.8196495	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H+NH4"	19.041099
"1487518"	154.6202495	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+NH4"	19.041099
"407299"	603.388018	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Na"	22.989218
"769267"	893.587418	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+Na"	22.989218
"1618402"	313.188618	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na"	22.989218
"329193"	302.197647	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H+Na"	23.996494
"722707"	447.297347	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H+Na"	23.996494
"1474493"	157.097947	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+Na"	23.996494
"1062636"	105.067723333333	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2H+Na"	25.00377
"1269785"	323.232886	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+CH3OH+H"	33.033486
"388368"	619.361958	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+K"	38.963158
"753009"	909.561358	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+K"	38.963158
"1554449"	329.162558	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K"	38.963158
"309680"	310.184617	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+H+K"	39.970434
"698820"	455.284317	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+H+K"	39.970434
"1452641"	165.084917	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+K"	39.970434
"242332"	622.432626	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+ACN+H"	42.033826
"1220515"	332.233226	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+ACN+H"	42.033826
"1201116"	166.620251	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+ACN+2H"	43.041102
"196173"	625.36996	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2Na-H"	44.97116
"633545"	915.56936	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2Na-H"	44.97116
"1132555"	335.17056	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2Na-H"	44.97116
"173740"	313.188618	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2Na"	45.978436
"613582"	458.288318	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2Na"	45.978436
"1116521"	168.088918	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2Na"	45.978436
"1399030"	112.395037333333	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+2Na"	46.985712
"1430174"	337.212146	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+HCOOH"	47.012746
"220210"	318.22164	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+3H2O+2H"	56.04448
"1516821"	351.26419	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+IsoProp+H"	61.06479
"414319"	321.175588	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+Na+K"	61.952376
"780785"	466.275288	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+Na+K"	61.952376
"1677116"	176.075888	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na+K"	61.952376
"260353"	644.414568	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+ACN+Na"	64.015768
"1234156"	354.215168	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+ACN+Na"	64.015768
"1719761"	354.238693	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+NH4+HCOOH"	64.039293
"1182928"	119.722351333333	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+3Na"	68.967654
"1663396"	359.194088	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na+HCOOH"	68.994688
"166246"	657.31784	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2K-H"	76.91904
"609087"	947.51724	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2K-H"	76.91904
"1092508"	367.11844	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2K-H"	76.91904
"147138"	329.162558	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"2M+2K"	77.926316
"582447"	474.262258	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"3M+2K"	77.926316
"1070237"	184.062858	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2K"	77.926316
"1100895"	369.132992	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2K+H"	78.933592
"1337642"	369.220607	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+DMSO+H"	79.021207
"1008248"	373.259776	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2ACN+H"	83.060376
"1526376"	374.253408	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+IsoProp+Na+H"	84.054008
"1004131"	187.133526	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+2ACN+2H"	84.067652
"1600092"	375.168028	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K+HCOOH"	84.968628
"1425021"	405.199538	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+H+CF3COOH"	115.000138
"1149841"	207.646801	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+3ACN+2H"	125.094202
"1707046"	422.226085	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+NH4+CF3COOH"	132.026685
"1647071"	427.18148	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+Na+CF3COOH"	136.98208
"1579440"	443.15542	"C16574"	"4-Hydroxyropivacaine"	"C17H26N2O2"	"290.1994"	"M+K+CF3COOH"	152.95602
"816006"	232.1576	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M"	0
"988078"	213.13921	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-H2O-H"	-19.01839
"77413"	153.764457333333	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M-3H"	-3.021828
"510046"	231.150324	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M-3H"	-3.021828
"883473"	76.3785906666667	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-3H"	-3.021828
"4234"	231.150324	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M-2H"	-2.014552
"448167"	347.229124	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M-2H"	-2.014552
"825969"	115.071524	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-2H"	-2.014552
"82684"	463.307924	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M-H"	-1.007276
"523339"	695.465524	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M-H"	-1.007276
"904422"	231.150324	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-H"	-1.007276
"53330"	480.334471	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M-2H+NH4"	16.019271
"497263"	712.492071	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M-2H+NH4"	16.019271
"864493"	248.176871	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-2H+NH4"	16.019271
"32638"	485.289866	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M-2H+Na"	20.974666
"473778"	717.447466	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M-2H+Na"	20.974666
"851579"	253.132266	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-2H+Na"	20.974666
"1622205"	253.132266	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Na-2H"	20.974666
"103108"	249.138663	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M-H+Cl"	33.962126
"542668"	365.217463	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M-H+Cl"	33.962126
"927671"	133.059863	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-H+Cl"	33.962126
"270371"	499.284602	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+Cl"	34.969402
"660843"	731.442202	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+Cl"	34.969402
"1275559"	267.127002	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Cl"	34.969402
"18114"	501.263806	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M-2H+K"	36.948606
"456461"	733.421406	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M-2H+K"	36.948606
"836575"	269.106206	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-2H+K"	36.948606
"1558241"	269.106206	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+K-2H"	36.948606
"945393"	277.155794	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-H+HCOOH"	44.998194
"363974"	509.313401	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+HCOOH-H"	44.998201
"351868"	523.329051	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+Hac-H"	59.013851
"1494503"	291.171451	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Hac-H"	59.013851
"958759"	299.137751	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-H+NaCOOH"	66.980151
"110030"	267.127002	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+2Cl"	69.938804
"551001"	383.205802	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+2Cl"	69.938804
"1028069"	151.048202	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2Cl"	69.938804
"1247283"	311.076485	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Br"	78.918885
"1311919"	313.132472	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Cl+HCOOH"	80.974872
"1328320"	335.114429	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Cl+NaCOOH"	102.956829
"915368"	345.143186	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M-H+CF3COOH"	112.985586
"1292076"	381.119864	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Cl+CF3COOH"	148.962264
"1368778"	197.144924	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H-2H2O"	-35.012676
"1385547"	215.1549	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H-H2O"	-17.0027
"283774"	465.322476	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+H"	1.007276
"676560"	697.480076	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+H"	1.007276
"1351370"	233.164876	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H"	1.007276
"125987"	233.164876	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+2H"	2.014552
"565947"	349.243676	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+2H"	2.014552
"1037184"	117.086076	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2H"	2.014552
"205330"	155.779009333333	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+3H"	3.021828
"644318"	233.164876	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+3H"	3.021828
"1163616"	78.3931426666667	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+3H"	3.021828
"424703"	482.349023	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+NH4"	18.033823
"787643"	714.506623	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+NH4"	18.033823
"1682040"	250.191423	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+NH4"	18.033823
"331534"	241.6781495	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+H+NH4"	19.041099
"723590"	357.7569495	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+H+NH4"	19.041099
"1486535"	125.5993495	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H+NH4"	19.041099
"407409"	487.304418	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+Na"	22.989218
"769377"	719.462018	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+Na"	22.989218
"1618252"	255.146818	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Na"	22.989218
"329636"	244.155847	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+H+Na"	23.996494
"722576"	360.234647	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+H+Na"	23.996494
"1474603"	128.077047	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H+Na"	23.996494
"1063839"	85.7204566666667	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2H+Na"	25.00377
"1267705"	265.191086	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+CH3OH+H"	33.033486
"386285"	503.278358	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+K"	38.963158
"750561"	735.435958	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+K"	38.963158
"1553708"	271.120758	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+K"	38.963158
"309790"	252.142817	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+H+K"	39.970434
"697837"	368.221617	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+H+K"	39.970434
"1452751"	136.064017	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H+K"	39.970434
"240256"	506.349026	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+ACN+H"	42.033826
"1221354"	274.191426	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+ACN+H"	42.033826
"1201226"	137.599351	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+ACN+2H"	43.041102
"194096"	509.28636	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+2Na-H"	44.97116
"634749"	741.44396	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+2Na-H"	44.97116
"1131934"	277.12876	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2Na-H"	44.97116
"173401"	255.146818	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+2Na"	45.978436
"613691"	371.225618	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+2Na"	45.978436
"1115702"	139.068018	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2Na"	45.978436
"1398900"	93.0477706666667	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H+2Na"	46.985712
"1430040"	279.170346	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H+HCOOH"	47.012746
"221321"	260.17984	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+3H2O+2H"	56.04448
"1515838"	293.22239	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+IsoProp+H"	61.06479
"416616"	263.133788	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+Na+K"	61.952376
"780895"	379.212588	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+Na+K"	61.952376
"1676133"	147.054988	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Na+K"	61.952376
"259370"	528.330968	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+ACN+Na"	64.015768
"1232079"	296.173368	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+ACN+Na"	64.015768
"1720964"	296.196893	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+NH4+HCOOH"	64.039293
"1186317"	100.375084666667	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+3Na"	68.967654
"1662775"	301.152288	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Na+HCOOH"	68.994688
"161981"	541.23424	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+2K-H"	76.91904
"608102"	773.39184	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+2K-H"	76.91904
"1090795"	309.07664	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2K-H"	76.91904
"147249"	271.120758	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"2M+2K"	77.926316
"584625"	387.199558	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"3M+2K"	77.926316
"1070591"	155.041958	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2K"	77.926316
"1101497"	311.091192	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2K+H"	78.933592
"1337148"	311.178807	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+DMSO+H"	79.021207
"1010544"	315.217976	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2ACN+H"	83.060376
"1528674"	316.211608	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+IsoProp+Na+H"	84.054008
"1002782"	158.112626	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+2ACN+2H"	84.067652
"1600811"	317.126228	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+K+HCOOH"	84.968628
"1422946"	347.157738	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+H+CF3COOH"	115.000138
"1153231"	178.625901	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+3ACN+2H"	125.094202
"1707156"	364.184285	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+NH4+CF3COOH"	132.026685
"1647181"	369.13968	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+Na+CF3COOH"	136.98208
"1579550"	385.11362	"C16575"	"(S)-26-Pipecoloxylidide"	"C14H20N2O"	"232.1576"	"M+K+CF3COOH"	152.95602
"815750"	285.1365	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M"	0
"983448"	266.11811	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-H2O-H"	-19.01839
"76064"	189.083724	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M-3H"	-3.021828
"506876"	284.129224	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M-3H"	-3.021828
"882125"	94.038224	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-3H"	-3.021828
"2522"	284.129224	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M-2H"	-2.014552
"442810"	426.697474	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M-2H"	-2.014552
"821705"	141.560974	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-2H"	-2.014552
"82794"	569.265724	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M-H"	-1.007276
"523449"	854.402224	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M-H"	-1.007276
"904532"	284.129224	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-H"	-1.007276
"53440"	586.292271	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M-2H+NH4"	16.019271
"490814"	871.428771	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M-2H+NH4"	16.019271
"864271"	301.155771	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-2H+NH4"	16.019271
"32018"	591.247666	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M-2H+Na"	20.974666
"473888"	876.384166	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M-2H+Na"	20.974666
"849623"	306.111166	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-2H+Na"	20.974666
"1625596"	306.111166	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Na-2H"	20.974666
"96658"	302.117563	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M-H+Cl"	33.962126
"535122"	444.685813	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M-H+Cl"	33.962126
"928637"	159.549313	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-H+Cl"	33.962126
"269145"	605.242402	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+Cl"	34.969402
"660589"	890.378902	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+Cl"	34.969402
"1277492"	320.105902	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Cl"	34.969402
"18955"	607.221606	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M-2H+K"	36.948606
"456816"	892.358106	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M-2H+K"	36.948606
"833646"	322.085106	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-2H+K"	36.948606
"1557986"	322.085106	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+K-2H"	36.948606
"944410"	330.134694	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-H+HCOOH"	44.998194
"364084"	615.271201	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+HCOOH-H"	44.998201
"349427"	629.286851	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+Hac-H"	59.013851
"1496070"	344.150351	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Hac-H"	59.013851
"959962"	352.116651	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-H+NaCOOH"	66.980151
"110815"	320.105902	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+2Cl"	69.938804
"550299"	462.674152	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+2Cl"	69.938804
"1023442"	177.537652	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2Cl"	69.938804
"1243383"	364.055385	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Br"	78.918885
"1307656"	366.111372	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Cl+HCOOH"	80.974872
"1325150"	388.093329	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Cl+NaCOOH"	102.956829
"912926"	398.122086	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M-H+CF3COOH"	112.985586
"1291822"	434.098764	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Cl+CF3COOH"	148.962264
"1371077"	250.123824	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H-2H2O"	-35.012676
"1384929"	268.1338	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H-H2O"	-17.0027
"285345"	571.280276	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+H"	1.007276
"677767"	856.416776	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+H"	1.007276
"1352290"	286.143776	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H"	1.007276
"125971"	286.143776	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+2H"	2.014552
"565905"	428.712026	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+2H"	2.014552
"1037659"	143.575526	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2H"	2.014552
"205683"	191.098276	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+3H"	3.021828
"645116"	286.143776	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+3H"	3.021828
"1164576"	96.052776	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+3H"	3.021828
"426029"	588.306823	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+NH4"	18.033823
"788482"	873.443323	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+NH4"	18.033823
"1681783"	303.170323	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+NH4"	18.033823
"330670"	294.6570495	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+H+NH4"	19.041099
"723250"	437.2252995	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+H+NH4"	19.041099
"1477436"	152.0887995	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H+NH4"	19.041099
"404233"	593.262218	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+Na"	22.989218
"768515"	878.398718	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+Na"	22.989218
"1618434"	308.125718	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Na"	22.989218
"329890"	297.134747	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+H+Na"	23.996494
"722641"	439.702997	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+H+Na"	23.996494
"1473984"	154.566497	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H+Na"	23.996494
"1062856"	103.38009	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2H+Na"	25.00377
"1266722"	318.169986	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+CH3OH+H"	33.033486
"384207"	609.236158	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+K"	38.963158
"750671"	894.372658	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+K"	38.963158
"1552724"	324.099658	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+K"	38.963158
"307713"	305.121717	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+H+K"	39.970434
"697947"	447.689967	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+H+K"	39.970434
"1452861"	162.553467	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H+K"	39.970434
"239273"	612.306826	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+ACN+H"	42.033826
"1217453"	327.170326	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+ACN+H"	42.033826
"1201336"	164.088801	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+ACN+2H"	43.041102
"198579"	615.24416	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+2Na-H"	44.97116
"634860"	900.38066	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+2Na-H"	44.97116
"1132655"	330.10766	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2Na-H"	44.97116
"173064"	308.125718	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+2Na"	45.978436
"612907"	450.693968	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+2Na"	45.978436
"1115805"	165.557468	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2Na"	45.978436
"1398559"	110.707404	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H+2Na"	46.985712
"1431613"	332.149246	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H+HCOOH"	47.012746
"220338"	313.15874	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+3H2O+2H"	56.04448
"1510481"	346.20129	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+IsoProp+H"	61.06479
"414539"	316.112688	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+Na+K"	61.952376
"778817"	458.680938	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+Na+K"	61.952376
"1672961"	173.544438	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Na+K"	61.952376
"258387"	634.288768	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+ACN+Na"	64.015768
"1231096"	349.152268	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+ACN+Na"	64.015768
"1721074"	349.175793	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+NH4+HCOOH"	64.039293
"1185334"	118.034718	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+3Na"	68.967654
"1659605"	354.131188	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Na+HCOOH"	68.994688
"160998"	647.19204	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+2K-H"	76.91904
"604931"	932.32854	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+2K-H"	76.91904
"1089083"	362.05554	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2K-H"	76.91904
"147359"	324.099658	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"2M+2K"	77.926316
"588015"	466.667908	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"3M+2K"	77.926316
"1070216"	181.531408	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2K"	77.926316
"1101118"	364.070092	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2K+H"	78.933592
"1336287"	364.157707	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+DMSO+H"	79.021207
"1010654"	368.196876	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2ACN+H"	83.060376
"1525867"	369.190508	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+IsoProp+Na+H"	84.054008
"1001799"	184.602076	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+2ACN+2H"	84.067652
"1599949"	370.105128	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+K+HCOOH"	84.968628
"1423056"	400.136638	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+H+CF3COOH"	115.000138
"1153341"	205.115351	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+3ACN+2H"	125.094202
"1707266"	417.163185	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+NH4+CF3COOH"	132.026685
"1646198"	422.11858	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+Na+CF3COOH"	136.98208
"1579660"	438.09252	"C16576"	"Norcodeine;N-Desmethylcodeine"	"C17H19NO3"	"285.1365"	"M+K+CF3COOH"	152.95602
"815984"	475.1842	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M"	0
"983558"	456.16581	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-H2O-H"	-19.01839
"76174"	315.782190666667	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M-3H"	-3.021828
"506986"	474.176924	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M-3H"	-3.021828
"882600"	157.387457333333	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-3H"	-3.021828
"3361"	474.176924	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M-2H"	-2.014552
"445108"	711.769024	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M-2H"	-2.014552
"824002"	236.584824	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-2H"	-2.014552
"80717"	949.361124	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M-H"	-1.007276
"531579"	1424.545324	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M-H"	-1.007276
"907194"	474.176924	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-H"	-1.007276
"53550"	966.387671	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M-2H+NH4"	16.019271
"490924"	1441.571871	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M-2H+NH4"	16.019271
"868725"	491.203471	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-2H+NH4"	16.019271
"31429"	971.343066	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M-2H+Na"	20.974666
"472297"	1446.527266	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M-2H+Na"	20.974666
"852893"	496.158866	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-2H+Na"	20.974666
"1620240"	496.158866	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Na-2H"	20.974666
"98956"	492.165263	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M-H+Cl"	33.962126
"540701"	729.757363	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M-H+Cl"	33.962126
"928748"	254.573163	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-H+Cl"	33.962126
"267915"	985.337802	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+Cl"	34.969402
"660252"	1460.522002	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+Cl"	34.969402
"1275413"	510.153602	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Cl"	34.969402
"16390"	987.317006	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M-2H+K"	36.948606
"455800"	1462.501206	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M-2H+K"	36.948606
"836066"	512.132806	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-2H+K"	36.948606
"1558461"	512.132806	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+K-2H"	36.948606
"944156"	520.182394	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-H+HCOOH"	44.998194
"362736"	995.366601	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+HCOOH-H"	44.998201
"348080"	1009.382251	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+Hac-H"	59.013851
"1494359"	534.198051	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Hac-H"	59.013851
"958982"	542.164351	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-H+NaCOOH"	66.980151
"110441"	510.153602	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+2Cl"	69.938804
"551832"	747.745702	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+2Cl"	69.938804
"1023552"	272.561502	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2Cl"	69.938804
"1243129"	554.103085	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Br"	78.918885
"1308859"	556.159072	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Cl+HCOOH"	80.974872
"1323073"	578.141029	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Cl+NaCOOH"	102.956829
"912671"	588.169786	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M-H+CF3COOH"	112.985586
"1291932"	624.146464	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Cl+CF3COOH"	148.962264
"1371551"	440.171524	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H-2H2O"	-35.012676
"1385767"	458.1815	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H-H2O"	-17.0027
"288371"	951.375676	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+H"	1.007276
"678970"	1426.559876	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+H"	1.007276
"1351794"	476.191476	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H"	1.007276
"126053"	476.191476	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+2H"	2.014552
"566545"	713.783576	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+2H"	2.014552
"1037649"	238.599376	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2H"	2.014552
"205308"	317.796742666667	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+3H"	3.021828
"645840"	476.191476	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+3H"	3.021828
"1163355"	159.402009333333	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+3H"	3.021828
"426139"	968.402223	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+NH4"	18.033823
"786162"	1443.586423	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+NH4"	18.033823
"1682744"	493.218023	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+NH4"	18.033823
"331022"	484.7047495	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+H+NH4"	19.041099
"723565"	722.2968495	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+H+NH4"	19.041099
"1477306"	247.1126495	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H+NH4"	19.041099
"403250"	973.357618	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+Na"	22.989218
"763150"	1448.541818	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+Na"	22.989218
"1613438"	498.173418	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Na"	22.989218
"329439"	487.182447	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+H+Na"	23.996494
"722224"	724.774547	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+H+Na"	23.996494
"1475678"	249.590347	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H+Na"	23.996494
"1064424"	166.729323333333	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2H+Na"	25.00377
"1269018"	508.217686	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+CH3OH+H"	33.033486
"386504"	989.331558	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+K"	38.963158
"748591"	1464.515758	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+K"	38.963158
"1549553"	514.147358	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+K"	38.963158
"311106"	495.169417	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+H+K"	39.970434
"701338"	732.761517	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+H+K"	39.970434
"1452971"	257.577317	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H+K"	39.970434
"239383"	992.402226	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+ACN+H"	42.033826
"1220481"	517.218026	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+ACN+H"	42.033826
"1203633"	259.112651	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+ACN+2H"	43.041102
"197596"	995.33956	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+2Na-H"	44.97116
"632783"	1470.52376	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+2Na-H"	44.97116
"1131708"	520.15536	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2Na-H"	44.97116
"172905"	498.173418	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+2Na"	45.978436
"612879"	735.765518	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+2Na"	45.978436
"1115649"	260.581318	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2Na"	45.978436
"1398522"	174.056637333333	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H+2Na"	46.985712
"1429927"	522.196946	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H+HCOOH"	47.012746
"220036"	503.20644	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+3H2O+2H"	56.04448
"1511685"	536.24899	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+IsoProp+H"	61.06479
"415743"	506.160388	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+Na+K"	61.952376
"777834"	743.752488	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+Na+K"	61.952376
"1673071"	268.568288	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Na+K"	61.952376
"256309"	1014.384168	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+ACN+Na"	64.015768
"1233392"	539.199968	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+ACN+Na"	64.015768
"1722278"	539.223493	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+NH4+HCOOH"	64.039293
"1184351"	181.383951333333	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+3Na"	68.967654
"1657524"	544.178888	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Na+HCOOH"	68.994688
"157828"	1027.28744	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+2K-H"	76.91904
"600667"	1502.47164	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+2K-H"	76.91904
"1090286"	552.10324	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2K-H"	76.91904
"147469"	514.147358	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"2M+2K"	77.926316
"585938"	751.739458	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"3M+2K"	77.926316
"1070815"	276.555258	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2K"	77.926316
"1100094"	554.117792	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2K+H"	78.933592
"1335709"	554.205407	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+DMSO+H"	79.021207
"1009672"	558.244576	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2ACN+H"	83.060376
"1525611"	559.238208	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+IsoProp+Na+H"	84.054008
"1000813"	279.625926	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+2ACN+2H"	84.067652
"1598598"	560.152828	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+K+HCOOH"	84.968628
"1425352"	590.184338	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+H+CF3COOH"	115.000138
"1153451"	300.139201	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+3ACN+2H"	125.094202
"1707376"	607.210885	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+NH4+CF3COOH"	132.026685
"1644121"	612.16628	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+Na+CF3COOH"	136.98208
"1579770"	628.14022	"C16577"	"Codeine-6-glucuronide"	"C24H29NO9"	"475.1842"	"M+K+CF3COOH"	152.95602
"816214"	461.1686	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M"	0
"983668"	442.15021	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-H2O-H"	-19.01839
"73004"	306.438457333333	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M-3H"	-3.021828
"507096"	460.161324	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M-3H"	-3.021828
"881617"	152.715590666667	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-3H"	-3.021828
"6751"	460.161324	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H"	-2.014552
"448498"	690.745624	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H"	-2.014552
"824112"	229.577024	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H"	-2.014552
"80827"	921.329924	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M-H"	-1.007276
"530231"	1382.498524	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M-H"	-1.007276
"905482"	460.161324	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-H"	-1.007276
"55847"	938.356471	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H+NH4"	16.019271
"491034"	1399.525071	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H+NH4"	16.019271
"872115"	477.187871	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H+NH4"	16.019271
"32727"	943.311866	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H+Na"	20.974666
"476297"	1404.480466	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H+Na"	20.974666
"856284"	482.143266	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H+Na"	20.974666
"1625817"	482.143266	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na-2H"	20.974666
"101252"	478.149663	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M-H+Cl"	33.962126
"536437"	708.733963	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M-H+Cl"	33.962126
"929950"	247.565363	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+Cl"	33.962126
"267331"	957.306602	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Cl"	34.969402
"662388"	1418.475202	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+Cl"	34.969402
"1274063"	496.138002	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl"	34.969402
"15942"	959.285806	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H+K"	36.948606
"457643"	1420.454406	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H+K"	36.948606
"834718"	498.117206	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H+K"	36.948606
"1558206"	498.117206	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+K-2H"	36.948606
"944631"	506.166794	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+HCOOH"	44.998194
"363575"	967.335401	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+HCOOH-H"	44.998201
"350375"	981.351051	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Hac-H"	59.013851
"1494833"	520.182451	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Hac-H"	59.013851
"959456"	528.148751	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+NaCOOH"	66.980151
"111643"	496.138002	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2Cl"	69.938804
"550849"	726.722302	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2Cl"	69.938804
"1022687"	265.553702	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2Cl"	69.938804
"1243963"	540.087485	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Br"	78.918885
"1308969"	542.143472	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl+HCOOH"	80.974872
"1322453"	564.125429	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl+NaCOOH"	102.956829
"915334"	574.154186	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+CF3COOH"	112.985586
"1292041"	610.130864	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl+CF3COOH"	148.962264
"1372390"	426.155924	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H-2H2O"	-35.012676
"1385146"	444.1659	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H-H2O"	-17.0027
"288481"	923.344476	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H"	1.007276
"678714"	1384.513076	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H"	1.007276
"1352513"	462.175876	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H"	1.007276
"126491"	462.175876	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2H"	2.014552
"566537"	692.760176	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2H"	2.014552
"1037764"	231.591576	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2H"	2.014552
"204937"	308.453009333333	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+3H"	3.021828
"645951"	462.175876	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+3H"	3.021828
"1163839"	154.730142666667	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+3H"	3.021828
"426984"	940.371023	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+NH4"	18.033823
"787369"	1401.539623	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+NH4"	18.033823
"1682853"	479.202423	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+NH4"	18.033823
"330772"	470.6891495	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H+NH4"	19.041099
"723923"	701.2734495	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H+NH4"	19.041099
"1478837"	240.1048495	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+NH4"	19.041099
"406641"	945.326418	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Na"	22.989218
"768612"	1406.495018	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+Na"	22.989218
"1615734"	484.157818	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na"	22.989218
"329191"	473.166847	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H+Na"	23.996494
"721850"	703.751147	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H+Na"	23.996494
"1476393"	242.582547	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+Na"	23.996494
"1066357"	162.057456666667	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2H+Na"	25.00377
"1268036"	494.202086	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+CH3OH+H"	33.033486
"386615"	961.300358	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+K"	38.963158
"752717"	1422.468958	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+K"	38.963158
"1547477"	500.131758	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+K"	38.963158
"311216"	481.153817	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H+K"	39.970434
"701448"	711.738117	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H+K"	39.970434
"1453081"	250.569517	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+K"	39.970434
"242773"	964.371026	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+ACN+H"	42.033826
"1218769"	503.202426	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+ACN+H"	42.033826
"1204838"	252.104851	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+ACN+2H"	43.041102
"199529"	967.30836	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2Na-H"	44.97116
"639091"	1428.47696	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2Na-H"	44.97116
"1133244"	506.13976	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2Na-H"	44.97116
"173737"	484.157818	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2Na"	45.978436
"612964"	714.742118	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2Na"	45.978436
"1115631"	253.573518	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2Na"	45.978436
"1399112"	169.384770666667	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+2Na"	46.985712
"1429884"	508.181346	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+HCOOH"	47.012746
"220683"	489.19084	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+3H2O+2H"	56.04448
"1513253"	522.23339	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+IsoProp+H"	61.06479
"414760"	492.144788	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Na+K"	61.952376
"773567"	722.729088	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+Na+K"	61.952376
"1670992"	261.560488	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na+K"	61.952376
"256419"	986.352968	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+ACN+Na"	64.015768
"1232409"	525.184368	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+ACN+Na"	64.015768
"1722389"	525.207893	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+NH4+HCOOH"	64.039293
"1186648"	176.712084666667	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+3Na"	68.967654
"1653262"	530.163288	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na+HCOOH"	68.994688
"163402"	999.25624	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2K-H"	76.91904
"599684"	1460.42484	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2K-H"	76.91904
"1084599"	538.08764	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2K-H"	76.91904
"144663"	500.131758	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2K"	77.926316
"584955"	730.716058	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2K"	77.926316
"1068507"	269.547458	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2K"	77.926316
"1101585"	540.102192	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2K+H"	78.933592
"1335694"	540.189807	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+DMSO+H"	79.021207
"1008689"	544.228976	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2ACN+H"	83.060376
"1524991"	545.222608	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+IsoProp+Na+H"	84.054008
"1000923"	272.618126	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+2ACN+2H"	84.067652
"1598708"	546.137228	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+K+HCOOH"	84.968628
"1422180"	576.168738	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+CF3COOH"	115.000138
"1155748"	293.131401	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+3ACN+2H"	125.094202
"1706393"	593.195285	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+NH4+CF3COOH"	132.026685
"1644231"	598.15068	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na+CF3COOH"	136.98208
"1579880"	614.12462	"C16578"	"Morphine-6-glucuronide"	"C23H27NO9"	"461.1686"	"M+K+CF3COOH"	152.95602
"816777"	188.0321	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M"	0
"987059"	169.01371	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H2O-H"	-19.01839
"73114"	124.347457333333	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-3H"	-3.021828
"508299"	187.024824	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-3H"	-3.021828
"886100"	61.6700906666667	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-3H"	-3.021828
"9051"	187.024824	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H"	-2.014552
"448610"	281.040874	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H"	-2.014552
"823132"	93.008774	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H"	-2.014552
"84219"	375.056924	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-H"	-1.007276
"530341"	563.089024	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-H"	-1.007276
"908873"	187.024824	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H"	-1.007276
"53771"	392.083471	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H+NH4"	16.019271
"494425"	580.115571	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H+NH4"	16.019271
"872227"	204.051371	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H+NH4"	16.019271
"35755"	397.038866	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H+Na"	20.974666
"478594"	585.070966	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H+Na"	20.974666
"860405"	209.006766	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H+Na"	20.974666
"1628116"	209.006766	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na-2H"	20.974666
"98082"	205.013163	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-H+Cl"	33.962126
"540923"	299.029213	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-H+Cl"	33.962126
"933341"	110.997113	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+Cl"	33.962126
"268616"	411.033602	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Cl"	34.969402
"661766"	599.065702	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+Cl"	34.969402
"1273201"	223.001502	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl"	34.969402
"17093"	413.012806	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M-2H+K"	36.948606
"462131"	601.044906	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M-2H+K"	36.948606
"839933"	224.980706	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-2H+K"	36.948606
"1559410"	224.980706	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K-2H"	36.948606
"945836"	233.030294	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+HCOOH"	44.998194
"363685"	421.062401	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+HCOOH-H"	44.998201
"348298"	435.078051	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Hac-H"	59.013851
"1496403"	247.045951	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Hac-H"	59.013851
"964307"	255.012251	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+NaCOOH"	66.980151
"111756"	223.001502	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2Cl"	69.938804
"551322"	317.017552	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2Cl"	69.938804
"1028147"	128.985452	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2Cl"	69.938804
"1243710"	266.950985	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Br"	78.918885
"1309079"	269.006972	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl+HCOOH"	80.974872
"1325843"	290.988929	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl+NaCOOH"	102.956829
"917633"	301.017686	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M-H+CF3COOH"	112.985586
"1298713"	336.994364	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Cl+CF3COOH"	148.962264
"1377969"	153.019424	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H-2H2O"	-35.012676
"1397288"	171.0294	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H-H2O"	-17.0027
"298028"	377.071476	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H"	1.007276
"683199"	565.103576	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H"	1.007276
"1354447"	189.039376	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H"	1.007276
"126968"	189.039376	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2H"	2.014552
"565775"	283.055426	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2H"	2.014552
"1037114"	95.023326	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2H"	2.014552
"205047"	126.362009333333	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+3H"	3.021828
"644970"	189.039376	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+3H"	3.021828
"1163825"	63.6846426666667	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+3H"	3.021828
"426367"	394.098023	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+NH4"	18.033823
"788087"	582.130123	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+NH4"	18.033823
"1682357"	206.065923	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+NH4"	18.033823
"330396"	197.5526495	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H+NH4"	19.041099
"724033"	291.5686995	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H+NH4"	19.041099
"1479311"	103.5365995	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+NH4"	19.041099
"400188"	399.053418	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Na"	22.989218
"769617"	587.085518	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+Na"	22.989218
"1612564"	211.021318	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na"	22.989218
"327836"	200.030347	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H+Na"	23.996494
"718311"	294.046397	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H+Na"	23.996494
"1474314"	106.014297	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+Na"	23.996494
"1062095"	71.0119566666667	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2H+Na"	25.00377
"1263774"	221.065586	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+CH3OH+H"	33.033486
"387820"	415.027358	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+K"	38.963158
"753799"	603.059458	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+K"	38.963158
"1551960"	226.995258	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K"	38.963158
"313512"	208.017317	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+H+K"	39.970434
"700464"	302.033367	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+H+K"	39.970434
"1454284"	114.001267	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+K"	39.970434
"242884"	418.098026	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+ACN+H"	42.033826
"1221067"	230.065926	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+ACN+H"	42.033826
"1204584"	115.536601	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+ACN+2H"	43.041102
"198910"	421.03536	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2Na-H"	44.97116
"640658"	609.06746	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2Na-H"	44.97116
"1135058"	233.00326	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2Na-H"	44.97116
"174823"	211.021318	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2Na"	45.978436
"614257"	305.037368	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2Na"	45.978436
"1115932"	117.005268	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2Na"	45.978436
"1399222"	78.3392706666667	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+2Na"	46.985712
"1430727"	235.044846	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+HCOOH"	47.012746
"220672"	216.05434	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+3H2O+2H"	56.04448
"1512997"	249.09689	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+IsoProp+H"	61.06479
"412682"	219.008288	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+Na+K"	61.952376
"772220"	313.024338	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+Na+K"	61.952376
"1668187"	124.992238	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na+K"	61.952376
"257624"	440.079968	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+ACN+Na"	64.015768
"1235800"	252.047868	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+ACN+Na"	64.015768
"1725780"	252.071393	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+NH4+HCOOH"	64.039293
"1186759"	85.6665846666667	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+3Na"	68.967654
"1657747"	257.026788	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na+HCOOH"	68.994688
"166793"	452.98324	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2K-H"	76.91904
"601982"	641.01534	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2K-H"	76.91904
"1089774"	264.95114	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2K-H"	76.91904
"148785"	226.995258	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"2M+2K"	77.926316
"585066"	321.011308	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"3M+2K"	77.926316
"1069332"	132.979208	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2K"	77.926316
"1106072"	266.965692	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2K+H"	78.933592
"1340268"	267.053307	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+DMSO+H"	79.021207
"1016455"	271.092476	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2ACN+H"	83.060376
"1529111"	272.086108	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+IsoProp+Na+H"	84.054008
"1004194"	136.049876	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+2ACN+2H"	84.067652
"1602102"	273.000728	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K+HCOOH"	84.968628
"1428486"	303.032238	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+H+CF3COOH"	115.000138
"1156951"	156.563151	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+3ACN+2H"	125.094202
"1706503"	320.058785	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+NH4+CF3COOH"	132.026685
"1644341"	325.01418	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+Na+CF3COOH"	136.98208
"1579990"	340.98812	"C16579"	"trans-Homoaconitate;(E)-124-But-1-enetricarboxylic acid"	"C7H8O6"	"188.0321"	"M+K+CF3COOH"	152.95602
"810356"	254.0903	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M"	0
"983888"	235.07191	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H2O-H"	-19.01839
"73224"	168.386257333333	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-3H"	-3.021828
"510596"	253.083024	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-3H"	-3.021828
"881837"	83.6894906666667	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-3H"	-3.021828
"2596"	253.083024	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H"	-2.014552
"445437"	380.128174	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H"	-2.014552
"819235"	126.037874	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H"	-2.014552
"88706"	507.173324	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-H"	-1.007276
"524986"	761.263624	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-H"	-1.007276
"903881"	253.083024	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H"	-1.007276
"51695"	524.199871	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H+NH4"	16.019271
"490162"	778.290171	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H+NH4"	16.019271
"867235"	270.109571	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H+NH4"	16.019271
"32827"	529.155266	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H+Na"	20.974666
"471774"	783.245566	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H+Na"	20.974666
"850187"	275.064966	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H+Na"	20.974666
"1619839"	275.064966	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na-2H"	20.974666
"95759"	271.071363	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-H+Cl"	33.962126
"538843"	398.116513	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-H+Cl"	33.962126
"928224"	144.026213	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+Cl"	33.962126
"268237"	543.150002	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Cl"	34.969402
"660901"	797.240302	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+Cl"	34.969402
"1273672"	289.059702	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl"	34.969402
"25597"	545.129206	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H+K"	36.948606
"462241"	799.219506	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H+K"	36.948606
"838583"	291.038906	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H+K"	36.948606
"1561710"	291.038906	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K-2H"	36.948606
"947041"	299.088494	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+HCOOH"	44.998194
"365259"	553.178801	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+HCOOH-H"	44.998201
"351328"	567.194451	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Hac-H"	59.013851
"1500159"	313.104151	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Hac-H"	59.013851
"963329"	321.070451	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+NaCOOH"	66.980151
"114431"	289.059702	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2Cl"	69.938804
"555084"	416.104852	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2Cl"	69.938804
"1024978"	162.014552	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2Cl"	69.938804
"1252211"	333.009185	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Br"	78.918885
"1310284"	335.065172	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl+HCOOH"	80.974872
"1325593"	357.047129	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl+NaCOOH"	102.956829
"914827"	367.075886	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+CF3COOH"	112.985586
"1296637"	403.052564	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl+CF3COOH"	148.962264
"1371519"	219.077624	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H-2H2O"	-35.012676
"1387922"	237.0876	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H-H2O"	-17.0027
"286878"	509.187876	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H"	1.007276
"678571"	763.278176	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H"	1.007276
"1352364"	255.097576	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H"	1.007276
"125975"	255.097576	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2H"	2.014552
"566143"	382.142726	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2H"	2.014552
"1037615"	128.052426	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2H"	2.014552
"204379"	170.400809333333	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+3H"	3.021828
"644955"	255.097576	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+3H"	3.021828
"1163323"	85.7040426666667	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+3H"	3.021828
"425137"	526.214423	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+NH4"	18.033823
"786014"	780.304723	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+NH4"	18.033823
"1681655"	272.124123	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+NH4"	18.033823
"330501"	263.6108495	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H+NH4"	19.041099
"723043"	390.6559995	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H+NH4"	19.041099
"1487087"	136.5656995	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+NH4"	19.041099
"402488"	531.169818	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Na"	22.989218
"763482"	785.260118	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+Na"	22.989218
"1615963"	277.079518	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na"	22.989218
"328188"	266.088547	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H+Na"	23.996494
"720606"	393.133697	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H+Na"	23.996494
"1474425"	139.043397	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+Na"	23.996494
"1061112"	93.0313566666667	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2H+Na"	25.00377
"1262792"	287.123786	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+CH3OH+H"	33.033486
"384649"	547.143758	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+K"	38.963158
"744550"	801.234058	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+K"	38.963158
"1555353"	293.053458	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K"	38.963158
"308153"	274.075517	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H+K"	39.970434
"702762"	401.120667	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H+K"	39.970434
"1452208"	147.030367	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+K"	39.970434
"238627"	550.214426	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+ACN+H"	42.033826
"1218989"	296.124126	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+ACN+H"	42.033826
"1202871"	148.565701	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+ACN+2H"	43.041102
"194649"	553.15176	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2Na-H"	44.97116
"633486"	807.24206	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2Na-H"	44.97116
"1134075"	299.06146	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2Na-H"	44.97116
"176270"	277.079518	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2Na"	45.978436
"614125"	404.124668	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2Na"	45.978436
"1116782"	150.034368	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2Na"	45.978436
"1399331"	100.358670666667	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+2Na"	46.985712
"1434251"	301.103046	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+HCOOH"	47.012746
"229420"	282.11254	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+3H2O+2H"	56.04448
"1509463"	315.15509	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+IsoProp+H"	61.06479
"412066"	285.066488	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Na+K"	61.952376
"776342"	412.111638	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+Na+K"	61.952376
"1674496"	158.021338	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na+K"	61.952376
"259922"	572.196368	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+ACN+Na"	64.015768
"1238099"	318.106068	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+ACN+Na"	64.015768
"1721517"	318.129593	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+NH4+HCOOH"	64.039293
"1190153"	107.685984666667	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+3Na"	68.967654
"1657858"	323.084988	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na+HCOOH"	68.994688
"164721"	585.09964	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2K-H"	76.91904
"605373"	839.18994	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2K-H"	76.91904
"1087705"	331.00934	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2K-H"	76.91904
"143431"	293.053458	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2K"	77.926316
"584084"	420.098608	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2K"	77.926316
"1078442"	166.008308	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2K"	77.926316
"1106182"	333.023892	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2K+H"	78.933592
"1341475"	333.111507	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+DMSO+H"	79.021207
"1013286"	337.150676	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2ACN+H"	83.060376
"1538949"	338.144308	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+IsoProp+Na+H"	84.054008
"1004674"	169.078976	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2ACN+2H"	84.067652
"1601116"	339.058928	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K+HCOOH"	84.968628
"1424585"	369.090438	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+CF3COOH"	115.000138
"1153781"	189.592251	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+3ACN+2H"	125.094202
"1701145"	386.116985	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+NH4+CF3COOH"	132.026685
"1637158"	391.07238	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na+CF3COOH"	136.98208
"1583381"	407.04632	"C16582"	"2-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K+CF3COOH"	152.95602
"810466"	220.0583	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M"	0
"983998"	201.03991	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-H2O-H"	-19.01839
"76614"	145.698257333333	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M-3H"	-3.021828
"510706"	219.051024	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M-3H"	-3.021828
"880971"	72.3454906666667	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-3H"	-3.021828
"2704"	219.051024	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M-2H"	-2.014552
"444454"	329.080174	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M-2H"	-2.014552
"818981"	109.021874	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-2H"	-2.014552
"89909"	439.109324	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M-H"	-1.007276
"522910"	659.167624	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M-H"	-1.007276
"901805"	219.051024	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-H"	-1.007276
"51805"	456.135871	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M-2H+NH4"	16.019271
"490272"	676.194171	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M-2H+NH4"	16.019271
"865032"	236.077571	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-2H+NH4"	16.019271
"33788"	461.091266	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M-2H+Na"	20.974666
"471883"	681.149566	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M-2H+Na"	20.974666
"849808"	241.032966	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-2H+Na"	20.974666
"1619586"	241.032966	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Na-2H"	20.974666
"95021"	237.039363	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M-H+Cl"	33.962126
"535547"	347.068513	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M-H+Cl"	33.962126
"928090"	127.010213	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-H+Cl"	33.962126
"267618"	475.086002	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+Cl"	34.969402
"661985"	695.144302	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+Cl"	34.969402
"1276212"	255.027702	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Cl"	34.969402
"15915"	477.065206	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M-2H+K"	36.948606
"455829"	697.123506	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M-2H+K"	36.948606
"835777"	257.006906	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-2H+K"	36.948606
"1563642"	257.006906	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+K-2H"	36.948606
"949337"	265.056494	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-H+HCOOH"	44.998194
"366461"	485.114801	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+HCOOH-H"	44.998201
"351437"	499.130451	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+Hac-H"	59.013851
"1496989"	279.072151	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Hac-H"	59.013851
"962710"	287.038451	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-H+NaCOOH"	66.980151
"115634"	255.027702	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+2Cl"	69.938804
"557380"	365.056852	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+2Cl"	69.938804
"1025088"	144.998552	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2Cl"	69.938804
"1250134"	298.977185	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Br"	78.918885
"1309300"	301.033172	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Cl+HCOOH"	80.974872
"1322423"	323.015129	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Cl+NaCOOH"	102.956829
"913842"	333.043886	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M-H+CF3COOH"	112.985586
"1293467"	369.020564	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Cl+CF3COOH"	148.962264
"1371629"	185.045624	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H-2H2O"	-35.012676
"1391312"	203.0556	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H-H2O"	-17.0027
"292092"	441.123876	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+H"	1.007276
"676861"	661.182176	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+H"	1.007276
"1353572"	221.065576	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H"	1.007276
"126090"	221.065576	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+2H"	2.014552
"565803"	331.094726	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+2H"	2.014552
"1037849"	111.036426	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2H"	2.014552
"204300"	147.712809333333	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+3H"	3.021828
"644536"	221.065576	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+3H"	3.021828
"1162950"	74.3600426666667	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+3H"	3.021828
"425490"	458.150423	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+NH4"	18.033823
"785701"	678.208723	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+NH4"	18.033823
"1681477"	238.092123	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+NH4"	18.033823
"330087"	229.5788495	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+H+NH4"	19.041099
"722883"	339.6079995	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+H+NH4"	19.041099
"1489383"	119.5496995	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H+NH4"	19.041099
"403691"	463.105818	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+Na"	22.989218
"764685"	683.164118	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+Na"	22.989218
"1613887"	243.047518	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Na"	22.989218
"328296"	232.056547	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+H+Na"	23.996494
"720716"	342.085697	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+H+Na"	23.996494
"1473443"	122.027397	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H+Na"	23.996494
"1062316"	81.6873566666667	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2H+Na"	25.00377
"1266182"	253.091786	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+CH3OH+H"	33.033486
"384758"	479.079758	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+K"	38.963158
"745754"	699.138058	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+K"	38.963158
"1552913"	259.021458	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+K"	38.963158
"307170"	240.043517	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+H+K"	39.970434
"701779"	350.072667	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+H+K"	39.970434
"1452318"	130.014367	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H+K"	39.970434
"246392"	482.150426	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+ACN+H"	42.033826
"1215819"	262.092126	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+ACN+H"	42.033826
"1202981"	131.549701	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+ACN+2H"	43.041102
"193663"	485.08776	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+2Na-H"	44.97116
"630801"	705.14606	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+2Na-H"	44.97116
"1133942"	265.02946	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2Na-H"	44.97116
"176015"	243.047518	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+2Na"	45.978436
"614235"	353.076668	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+2Na"	45.978436
"1117379"	133.018368	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2Na"	45.978436
"1400416"	89.0146706666667	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H+2Na"	46.985712
"1433268"	267.071046	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H+HCOOH"	47.012746
"221501"	248.08054	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+3H2O+2H"	56.04448
"1509937"	281.12309	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+IsoProp+H"	61.06479
"410719"	251.034488	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+Na+K"	61.952376
"776452"	361.063638	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+Na+K"	61.952376
"1673877"	141.005338	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Na+K"	61.952376
"260032"	504.132368	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+ACN+Na"	64.015768
"1237116"	284.074068	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+ACN+Na"	64.015768
"1720534"	284.097593	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+NH4+HCOOH"	64.039293
"1189170"	96.3419846666667	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+3Na"	68.967654
"1657968"	289.052988	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Na+HCOOH"	68.994688
"159114"	517.03564	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+2K-H"	76.91904
"602203"	737.09394	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+2K-H"	76.91904
"1087447"	296.97734	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2K-H"	76.91904
"143538"	259.021458	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"2M+2K"	77.926316
"586381"	369.050608	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"3M+2K"	77.926316
"1069308"	148.992308	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2K"	77.926316
"1108479"	298.991892	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2K+H"	78.933592
"1341582"	299.079507	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+DMSO+H"	79.021207
"1016676"	303.118676	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2ACN+H"	83.060376
"1538695"	304.112308	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+IsoProp+Na+H"	84.054008
"1005271"	152.062976	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+2ACN+2H"	84.067652
"1602323"	305.026928	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+K+HCOOH"	84.968628
"1426882"	335.058438	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+H+CF3COOH"	115.000138
"1153891"	172.576251	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+3ACN+2H"	125.094202
"1701255"	352.084985	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+NH4+CF3COOH"	132.026685
"1637268"	357.04038	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+Na+CF3COOH"	136.98208
"1583491"	373.01432	"C16583"	"(R)-(Homo)2-citrate;(R)-2-Hydroxy-125-pentanetricarboxylate;(R)-2-Hydroxy-125-pentanetricarboxylic acid"	"C8H12O7"	"220.0583"	"M+K+CF3COOH"	152.95602
"816045"	254.0903	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M"	0
"986296"	235.07191	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H2O-H"	-19.01839
"71258"	168.386257333333	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-3H"	-3.021828
"507536"	253.083024	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-3H"	-3.021828
"880962"	83.6894906666667	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-3H"	-3.021828
"3176"	253.083024	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H"	-2.014552
"444563"	380.128174	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H"	-2.014552
"819455"	126.037874	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H"	-2.014552
"86739"	507.173324	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-H"	-1.007276
"523747"	761.263624	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-H"	-1.007276
"901914"	253.083024	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H"	-1.007276
"51913"	524.199871	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H+NH4"	16.019271
"487179"	778.290171	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H+NH4"	16.019271
"864779"	270.109571	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H+NH4"	16.019271
"32075"	529.155266	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H+Na"	20.974666
"471503"	783.245566	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H+Na"	20.974666
"849430"	275.064966	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H+Na"	20.974666
"1620789"	275.064966	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na-2H"	20.974666
"98410"	271.071363	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-H+Cl"	33.962126
"535416"	398.116513	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-H+Cl"	33.962126
"927385"	144.026213	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+Cl"	33.962126
"267609"	543.150002	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Cl"	34.969402
"660877"	797.240302	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+Cl"	34.969402
"1273081"	289.059702	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl"	34.969402
"16036"	545.129206	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M-2H+K"	36.948606
"455857"	799.219506	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M-2H+K"	36.948606
"835157"	291.038906	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-2H+K"	36.948606
"1560473"	291.038906	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K-2H"	36.948606
"946168"	299.088494	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+HCOOH"	44.998194
"362199"	553.178801	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+HCOOH-H"	44.998201
"347538"	567.194451	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Hac-H"	59.013851
"1494912"	313.104151	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Hac-H"	59.013851
"961727"	321.070451	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+NaCOOH"	66.980151
"115744"	289.059702	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2Cl"	69.938804
"556397"	416.104852	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2Cl"	69.938804
"1025198"	162.014552	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2Cl"	69.938804
"1250244"	333.009185	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Br"	78.918885
"1308317"	335.065172	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl+HCOOH"	80.974872
"1322533"	357.047129	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl+NaCOOH"	102.956829
"913589"	367.075886	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M-H+CF3COOH"	112.985586
"1293577"	403.052564	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Cl+CF3COOH"	148.962264
"1372832"	219.077624	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H-2H2O"	-35.012676
"1391422"	237.0876	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H-H2O"	-17.0027
"292202"	509.187876	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H"	1.007276
"678063"	763.278176	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H"	1.007276
"1354411"	255.097576	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H"	1.007276
"126322"	255.097576	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2H"	2.014552
"565714"	382.142726	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2H"	2.014552
"1037185"	128.052426	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2H"	2.014552
"204553"	170.400809333333	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+3H"	3.021828
"645296"	255.097576	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+3H"	3.021828
"1163424"	85.7040426666667	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+3H"	3.021828
"424511"	526.214423	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+NH4"	18.033823
"785865"	780.304723	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+NH4"	18.033823
"1681508"	272.124123	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+NH4"	18.033823
"330151"	263.6108495	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H+NH4"	19.041099
"722934"	390.6559995	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H+NH4"	19.041099
"1484025"	136.5656995	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+NH4"	19.041099
"403799"	531.169818	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Na"	22.989218
"760420"	785.260118	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+Na"	22.989218
"1613997"	277.079518	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na"	22.989218
"328164"	266.088547	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H+Na"	23.996494
"718640"	393.133697	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H+Na"	23.996494
"1471367"	139.043397	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+Na"	23.996494
"1061332"	93.0313566666667	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2H+Na"	25.00377
"1263012"	287.123786	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+CH3OH+H"	33.033486
"382681"	547.143758	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+K"	38.963158
"745863"	801.234058	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+K"	38.963158
"1553023"	293.053458	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K"	38.963158
"306187"	274.075517	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+H+K"	39.970434
"701889"	401.120667	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+H+K"	39.970434
"1452428"	147.030367	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+K"	39.970434
"245407"	550.214426	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+ACN+H"	42.033826
"1217022"	296.124126	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+ACN+H"	42.033826
"1201997"	148.565701	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+ACN+2H"	43.041102
"192680"	553.15176	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2Na-H"	44.97116
"630424"	807.24206	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2Na-H"	44.97116
"1133930"	299.06146	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2Na-H"	44.97116
"174058"	277.079518	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2Na"	45.978436
"613496"	404.124668	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2Na"	45.978436
"1118826"	150.034368	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2Na"	45.978436
"1398823"	100.358670666667	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+2Na"	46.985712
"1434471"	301.103046	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+HCOOH"	47.012746
"222342"	282.11254	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+3H2O+2H"	56.04448
"1510776"	315.15509	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+IsoProp+H"	61.06479
"422858"	285.066488	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+Na+K"	61.952376
"783854"	412.111638	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+Na+K"	61.952376
"1680067"	158.021338	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na+K"	61.952376
"263425"	572.196368	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+ACN+Na"	64.015768
"1239778"	318.106068	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+ACN+Na"	64.015768
"1718456"	318.129593	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+NH4+HCOOH"	64.039293
"1190373"	107.685984666667	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+3Na"	68.967654
"1656984"	323.084988	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na+HCOOH"	68.994688
"159952"	585.09964	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2K-H"	76.91904
"602313"	839.18994	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2K-H"	76.91904
"1092297"	331.00934	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2K-H"	76.91904
"148023"	293.053458	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"2M+2K"	77.926316
"586489"	420.098608	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"3M+2K"	77.926316
"1074285"	166.008308	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2K"	77.926316
"1108589"	333.023892	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2K+H"	78.933592
"1341692"	333.111507	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+DMSO+H"	79.021207
"1020807"	337.150676	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2ACN+H"	83.060376
"1539664"	338.144308	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+IsoProp+Na+H"	84.054008
"1005221"	169.078976	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+2ACN+2H"	84.067652
"1602188"	339.058928	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K+HCOOH"	84.968628
"1425899"	369.090438	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+H+CF3COOH"	115.000138
"1150719"	189.592251	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+3ACN+2H"	125.094202
"1700270"	386.116985	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+NH4+CF3COOH"	132.026685
"1636648"	391.07238	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+Na+CF3COOH"	136.98208
"1583601"	407.04632	"C16584"	"p-Hydroxyfelbamate"	"C11H14N2O5"	"254.0903"	"M+K+CF3COOH"	152.95602
"810686"	195.0895	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M"	0
"979845"	176.07111	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-H2O-H"	-19.01839
"71368"	129.052390666667	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M-3H"	-3.021828
"506553"	194.082224	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M-3H"	-3.021828
"880343"	64.0225573333333	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-3H"	-3.021828
"371"	194.082224	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M-2H"	-2.014552
"442487"	291.626974	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M-2H"	-2.014552
"817256"	96.537474	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-2H"	-2.014552
"85755"	389.171724	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M-H"	-1.007276
"518748"	584.261224	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M-H"	-1.007276
"896677"	194.082224	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-H"	-1.007276
"50930"	406.198271	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M-2H+NH4"	16.019271
"487572"	601.287771	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M-2H+NH4"	16.019271
"864643"	211.108771	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-2H+NH4"	16.019271
"32185"	411.153666	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M-2H+Na"	20.974666
"471448"	606.243166	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M-2H+Na"	20.974666
"848511"	216.064166	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-2H+Na"	20.974666
"1620899"	216.064166	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Na-2H"	20.974666
"96697"	212.070563	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M-H+Cl"	33.962126
"534509"	309.615313	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M-H+Cl"	33.962126
"927491"	114.525813	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-H+Cl"	33.962126
"267138"	425.148402	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+Cl"	34.969402
"659979"	620.237902	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+Cl"	34.969402
"1272888"	230.058902	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Cl"	34.969402
"15863"	427.127606	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M-2H+K"	36.948606
"455678"	622.217106	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M-2H+K"	36.948606
"833075"	232.038106	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-2H+K"	36.948606
"1555835"	232.038106	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+K-2H"	36.948606
"943595"	240.087694	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-H+HCOOH"	44.998194
"363032"	435.177201	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+HCOOH-H"	44.998201
"346311"	449.192851	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+Hac-H"	59.013851
"1493560"	254.103351	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Hac-H"	59.013851
"960011"	262.069651	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-H+NaCOOH"	66.980151
"115854"	230.058902	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+2Cl"	69.938804
"556507"	327.603652	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+2Cl"	69.938804
"1025308"	132.514152	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2Cl"	69.938804
"1250354"	274.008385	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Br"	78.918885
"1308427"	276.064372	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Cl+HCOOH"	80.974872
"1322643"	298.046329	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Cl+NaCOOH"	102.956829
"913334"	308.075086	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M-H+CF3COOH"	112.985586
"1293687"	344.051764	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Cl+CF3COOH"	148.962264
"1372942"	160.076824	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H-2H2O"	-35.012676
"1392625"	178.0868	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H-H2O"	-17.0027
"293405"	391.186276	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+H"	1.007276
"677080"	586.275776	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+H"	1.007276
"1354521"	196.096776	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H"	1.007276
"126187"	196.096776	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+2H"	2.014552
"566353"	293.641526	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+2H"	2.014552
"1037703"	98.552026	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2H"	2.014552
"205232"	131.066942666667	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+3H"	3.021828
"645042"	196.096776	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+3H"	3.021828
"1164625"	66.0371093333333	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+3H"	3.021828
"425469"	408.212823	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+NH4"	18.033823
"786464"	603.302323	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+NH4"	18.033823
"1682068"	213.123323	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+NH4"	18.033823
"330829"	204.6100495	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+H+NH4"	19.041099
"723413"	302.1547995	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+H+NH4"	19.041099
"1477563"	107.0652995	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H+NH4"	19.041099
"401722"	413.168218	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+Na"	22.989218
"760530"	608.257718	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+Na"	22.989218
"1617015"	218.078718	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Na"	22.989218
"328152"	207.087747	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+H+Na"	23.996494
"717654"	304.632497	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+H+Na"	23.996494
"1469285"	109.542997	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H+Na"	23.996494
"1056696"	73.3644233333333	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2H+Na"	25.00377
"1260928"	228.122986	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+CH3OH+H"	33.033486
"387160"	429.142158	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+K"	38.963158
"743781"	624.231658	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+K"	38.963158
"1548023"	234.052658	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+K"	38.963158
"306295"	215.074717	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+H+K"	39.970434
"697621"	312.619467	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+H+K"	39.970434
"1451445"	117.529967	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H+K"	39.970434
"240046"	432.212826	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+ACN+H"	42.033826
"1219317"	237.123326	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+ACN+H"	42.033826
"1203565"	119.065301	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+ACN+2H"	43.041102
"196070"	435.15016	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+2Na-H"	44.97116
"629437"	630.23966	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+2Na-H"	44.97116
"1133305"	240.06066	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2Na-H"	44.97116
"173061"	218.078718	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+2Na"	45.978436
"613966"	315.623468	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+2Na"	45.978436
"1116865"	120.533968	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2Na"	45.978436
"1398637"	80.6917373333333	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H+2Na"	46.985712
"1430026"	242.102246	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H+HCOOH"	47.012746
"220738"	223.11174	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+3H2O+2H"	56.04448
"1511251"	256.15429	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+IsoProp+H"	61.06479
"412029"	226.065688	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+Na+K"	61.952376
"773023"	323.610438	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+Na+K"	61.952376
"1667892"	128.520938	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Na+K"	61.952376
"261349"	454.194768	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+ACN+Na"	64.015768
"1234058"	259.105268	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+ACN+Na"	64.015768
"1718566"	259.128793	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+NH4+HCOOH"	64.039293
"1187203"	88.0190513333333	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+3Na"	68.967654
"1657094"	264.084188	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Na+HCOOH"	68.994688
"158482"	467.09804	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+2K-H"	76.91904
"599507"	662.18754	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+2K-H"	76.91904
"1092407"	272.00854	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2K-H"	76.91904
"150319"	234.052658	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"2M+2K"	77.926316
"585506"	331.597408	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"3M+2K"	77.926316
"1073302"	136.507908	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2K"	77.926316
"1108699"	274.023092	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2K+H"	78.933592
"1341802"	274.110707	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+DMSO+H"	79.021207
"1021198"	278.149876	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2ACN+H"	83.060376
"1539488"	279.143508	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+IsoProp+Na+H"	84.054008
"1005563"	139.578576	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+2ACN+2H"	84.067652
"1602298"	280.058128	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+K+HCOOH"	84.968628
"1426009"	310.089638	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+H+CF3COOH"	115.000138
"1151922"	160.091851	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+3ACN+2H"	125.094202
"1700380"	327.116185	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+NH4+CF3COOH"	132.026685
"1636030"	332.07158	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+Na+CF3COOH"	136.98208
"1583711"	348.04552	"C16586"	"2-Phenyl-13-propanediol monocarbamate"	"C10H13NO3"	"195.0895"	"M+K+CF3COOH"	152.95602
"810796"	193.0739	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M"	0
"978861"	174.05551	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-H2O-H"	-19.01839
"71478"	127.708657333333	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M-3H"	-3.021828
"507756"	192.066624	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M-3H"	-3.021828
"881546"	63.3506906666667	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-3H"	-3.021828
"2306"	192.066624	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M-2H"	-2.014552
"446970"	288.603574	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M-2H"	-2.014552
"818581"	95.529674	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-2H"	-2.014552
"84771"	385.140524	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M-H"	-1.007276
"519016"	578.214424	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M-H"	-1.007276
"897030"	192.066624	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-H"	-1.007276
"51040"	402.167071	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M-2H+NH4"	16.019271
"487516"	595.240971	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M-2H+NH4"	16.019271
"864746"	209.093171	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-2H+NH4"	16.019271
"31844"	407.122466	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M-2H+Na"	20.974666
"475861"	600.196366	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M-2H+Na"	20.974666
"848833"	214.048566	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-2H+Na"	20.974666
"1619916"	214.048566	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Na-2H"	20.974666
"97536"	210.054963	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M-H+Cl"	33.962126
"536002"	306.591913	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M-H+Cl"	33.962126
"927323"	113.518013	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-H+Cl"	33.962126
"267617"	421.117202	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+Cl"	34.969402
"660124"	614.191102	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+Cl"	34.969402
"1273622"	228.043302	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Cl"	34.969402
"15914"	423.096406	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M-2H+K"	36.948606
"457573"	616.170306	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M-2H+K"	36.948606
"832993"	230.022506	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-2H+K"	36.948606
"1557769"	230.022506	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+K-2H"	36.948606
"943217"	238.072094	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-H+HCOOH"	44.998194
"362407"	431.146001	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+HCOOH-H"	44.998201
"346010"	445.161651	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+Hac-H"	59.013851
"1493180"	252.087751	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Hac-H"	59.013851
"958598"	260.054051	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-H+NaCOOH"	66.980151
"115964"	228.043302	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+2Cl"	69.938804
"554430"	324.580252	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+2Cl"	69.938804
"1025418"	131.506352	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2Cl"	69.938804
"1250464"	271.992785	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Br"	78.918885
"1307443"	274.048772	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Cl+HCOOH"	80.974872
"1322023"	296.030729	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Cl+NaCOOH"	102.956829
"914901"	306.059486	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M-H+CF3COOH"	112.985586
"1293797"	342.036164	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Cl+CF3COOH"	148.962264
"1373052"	158.061224	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H-2H2O"	-35.012676
"1391642"	176.0712	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H-H2O"	-17.0027
"290235"	387.155076	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+H"	1.007276
"678280"	580.228976	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+H"	1.007276
"1353900"	194.081176	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H"	1.007276
"126054"	194.081176	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+2H"	2.014552
"565783"	290.618126	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+2H"	2.014552
"1037446"	97.544226	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2H"	2.014552
"204745"	129.723209333333	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+3H"	3.021828
"645524"	194.081176	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+3H"	3.021828
"1163279"	65.3652426666667	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+3H"	3.021828
"424730"	404.181623	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+NH4"	18.033823
"786089"	597.255523	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+NH4"	18.033823
"1682052"	211.107723	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+NH4"	18.033823
"330454"	202.5944495	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+H+NH4"	19.041099
"723123"	299.1313995	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+H+NH4"	19.041099
"1477671"	106.0574995	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H+NH4"	19.041099
"398552"	409.137018	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+Na"	22.989218
"763920"	602.210918	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+Na"	22.989218
"1615302"	216.063118	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Na"	22.989218
"328259"	205.072147	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+H+Na"	23.996494
"714481"	301.609097	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+H+Na"	23.996494
"1466114"	108.535197	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H+Na"	23.996494
"1057171"	72.6925566666667	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2H+Na"	25.00377
"1261037"	226.107386	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+CH3OH+H"	33.033486
"385082"	425.110958	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+K"	38.963158
"744984"	618.184858	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+K"	38.963158
"1549226"	232.037058	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+K"	38.963158
"307498"	213.059117	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+H+K"	39.970434
"696637"	309.596067	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+H+K"	39.970434
"1450461"	116.522167	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H+K"	39.970434
"236629"	428.181626	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+ACN+H"	42.033826
"1216147"	235.107726	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+ACN+H"	42.033826
"1198935"	118.057501	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+ACN+2H"	43.041102
"192900"	431.11896	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+2Na-H"	44.97116
"629058"	624.19286	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+2Na-H"	44.97116
"1131744"	238.04506	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2Na-H"	44.97116
"173655"	216.063118	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+2Na"	45.978436
"613459"	312.600068	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+2Na"	45.978436
"1117947"	119.526168	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2Na"	45.978436
"1398791"	80.0198706666667	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H+2Na"	46.985712
"1430253"	240.086646	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H+HCOOH"	47.012746
"220563"	221.09614	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+3H2O+2H"	56.04448
"1511361"	254.13869	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+IsoProp+H"	61.06479
"412139"	224.050088	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+Na+K"	61.952376
"774226"	320.587038	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+Na+K"	61.952376
"1669095"	127.513138	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Na+K"	61.952376
"259272"	450.163568	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+ACN+Na"	64.015768
"1231980"	257.089668	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+ACN+Na"	64.015768
"1716489"	257.113193	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+NH4+HCOOH"	64.039293
"1186220"	87.3471846666667	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+3Na"	68.967654
"1654288"	262.068588	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Na+HCOOH"	68.994688
"158957"	463.06684	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+2K-H"	76.91904
"599617"	656.14074	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+2K-H"	76.91904
"1087051"	269.99294	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2K-H"	76.91904
"142043"	232.037058	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"2M+2K"	77.926316
"581432"	328.574008	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"3M+2K"	77.926316
"1073412"	135.500108	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2K"	77.926316
"1104435"	272.007492	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2K+H"	78.933592
"1339726"	272.095107	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+DMSO+H"	79.021207
"1019682"	276.134276	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2ACN+H"	83.060376
"1539516"	277.127908	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+IsoProp+Na+H"	84.054008
"1005618"	138.570776	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+2ACN+2H"	84.067652
"1602530"	278.042528	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+K+HCOOH"	84.968628
"1426119"	308.074038	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+H+CF3COOH"	115.000138
"1150209"	159.084051	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+3ACN+2H"	125.094202
"1697574"	325.100585	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+NH4+CF3COOH"	132.026685
"1635411"	330.05598	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+Na+CF3COOH"	136.98208
"1583821"	346.02992	"C16587"	"3-Carbamoyl-2-phenylpropionaldehyde"	"C10H11NO3"	"193.0739"	"M+K+CF3COOH"	152.95602
"810906"	174.0528	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M"	0
"980064"	155.03441	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-H2O-H"	-19.01839
"71588"	115.027924	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M-3H"	-3.021828
"506044"	173.045524	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M-3H"	-3.021828
"883480"	57.010324	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-3H"	-3.021828
"6428"	173.045524	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M-2H"	-2.014552
"445989"	260.071924	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M-2H"	-2.014552
"817963"	86.019124	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-2H"	-2.014552
"84881"	347.098324	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M-H"	-1.007276
"522253"	521.151124	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M-H"	-1.007276
"903335"	173.045524	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-H"	-1.007276
"56617"	364.124871	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M-2H+NH4"	16.019271
"493991"	538.177671	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M-2H+NH4"	16.019271
"871792"	190.072071	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-2H+NH4"	16.019271
"38600"	369.080266	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M-2H+Na"	20.974666
"480346"	543.133066	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M-2H+Na"	20.974666
"859241"	195.027466	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-2H+Na"	20.974666
"1628775"	195.027466	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Na-2H"	20.974666
"100929"	191.033863	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M-H+Cl"	33.962126
"540490"	278.060263	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M-H+Cl"	33.962126
"933277"	104.007463	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-H+Cl"	33.962126
"274021"	383.075002	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+Cl"	34.969402
"665713"	557.127802	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+Cl"	34.969402
"1274227"	209.022202	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Cl"	34.969402
"16905"	385.054206	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M-2H+K"	36.948606
"457683"	559.107006	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M-2H+K"	36.948606
"836581"	211.001406	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-2H+K"	36.948606
"1558978"	211.001406	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+K-2H"	36.948606
"945400"	219.050994	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-H+HCOOH"	44.998194
"363250"	393.103801	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+HCOOH-H"	44.998201
"346156"	407.119451	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+Hac-H"	59.013851
"1494508"	233.066651	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Hac-H"	59.013851
"958668"	241.032951	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-H+NaCOOH"	66.980151
"117167"	209.022202	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+2Cl"	69.938804
"557819"	296.048602	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+2Cl"	69.938804
"1028807"	121.995802	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2Cl"	69.938804
"1251667"	252.971685	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Br"	78.918885
"1307553"	255.027672	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Cl+HCOOH"	80.974872
"1325049"	277.009629	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Cl+NaCOOH"	102.956829
"923762"	287.038386	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M-H+CF3COOH"	112.985586
"1301563"	323.015064	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Cl+CF3COOH"	148.962264
"1376444"	139.040124	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H-2H2O"	-35.012676
"1397222"	157.0501	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H-H2O"	-17.0027
"295813"	349.112876	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+H"	1.007276
"686049"	523.165676	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+H"	1.007276
"1356929"	175.060076	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H"	1.007276
"129821"	175.060076	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+2H"	2.014552
"568283"	262.086476	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+2H"	2.014552
"1044737"	88.033676	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2H"	2.014552
"212637"	117.042476	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+3H"	3.021828
"647823"	175.060076	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+3H"	3.021828
"1163882"	59.024876	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+3H"	3.021828
"425939"	366.139423	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+NH4"	18.033823
"786937"	540.192223	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+NH4"	18.033823
"1681317"	192.086623	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+NH4"	18.033823
"331910"	183.5733495	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+H+NH4"	19.041099
"723721"	270.5997495	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+H+NH4"	19.041099
"1477257"	96.5469495	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H+NH4"	19.041099
"408347"	371.094818	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+Na"	22.989218
"768407"	545.147618	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+Na"	22.989218
"1617600"	197.042018	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Na"	22.989218
"329710"	186.051047	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+H+Na"	23.996494
"720060"	273.077447	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+H+Na"	23.996494
"1472786"	99.024647	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H+Na"	23.996494
"1057645"	66.35219	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2H+Na"	25.00377
"1263337"	207.086286	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+CH3OH+H"	33.033486
"389567"	387.068758	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+K"	38.963158
"746188"	561.121558	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+K"	38.963158
"1550432"	213.015958	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+K"	38.963158
"309792"	194.038017	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+H+K"	39.970434
"701124"	281.064417	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+H+K"	39.970434
"1452758"	107.011617	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H+K"	39.970434
"242451"	390.139426	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+ACN+H"	42.033826
"1217346"	216.086626	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+ACN+H"	42.033826
"1201961"	108.546951	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+ACN+2H"	43.041102
"199208"	393.07676	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+2Na-H"	44.97116
"630749"	567.12956	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+2Na-H"	44.97116
"1131546"	219.02396	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2Na-H"	44.97116
"173283"	197.042018	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+2Na"	45.978436
"620020"	284.068418	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+2Na"	45.978436
"1120974"	110.015618	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2Na"	45.978436
"1401583"	73.679504	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H+2Na"	46.985712
"1434791"	221.065546	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H+HCOOH"	47.012746
"221207"	202.07504	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+3H2O+2H"	56.04448
"1512563"	235.11759	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+IsoProp+H"	61.06479
"411884"	205.028988	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+Na+K"	61.952376
"774336"	292.055388	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+Na+K"	61.952376
"1668840"	118.002588	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Na+K"	61.952376
"259382"	412.121368	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+ACN+Na"	64.015768
"1232819"	238.068568	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+ACN+Na"	64.015768
"1717692"	238.092093	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+NH4+HCOOH"	64.039293
"1185237"	81.006818	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+3Na"	68.967654
"1654398"	243.047488	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Na+HCOOH"	68.994688
"161987"	425.02464	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+2K-H"	76.91904
"600087"	599.07744	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+2K-H"	76.91904
"1084842"	250.97184	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2K-H"	76.91904
"142032"	213.015958	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"2M+2K"	77.926316
"581663"	300.042358	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"3M+2K"	77.926316
"1074615"	125.989558	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2K"	77.926316
"1105637"	252.986392	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2K+H"	78.933592
"1342022"	253.074007	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+DMSO+H"	79.021207
"1020400"	257.113176	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2ACN+H"	83.060376
"1538774"	258.106808	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+IsoProp+Na+H"	84.054008
"1004980"	129.060226	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+2ACN+2H"	84.067652
"1602518"	259.021428	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+K+HCOOH"	84.968628
"1425136"	289.052938	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+H+CF3COOH"	115.000138
"1150319"	149.573501	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+3ACN+2H"	125.094202
"1699507"	306.079485	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+NH4+CF3COOH"	132.026685
"1638437"	311.03488	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+Na+CF3COOH"	136.98208
"1583931"	327.00882	"C16588"	"2-Oxopimelate;alpha-Ketopimelate;2-Oxoheptanedionic acid"	"C7H10O5"	"174.0528"	"M+K+CF3COOH"	152.95602
"802632"	188.0685	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M"	0
"980174"	169.05011	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-H2O-H"	-19.01839
"71698"	124.371724	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M-3H"	-3.021828
"506518"	187.061224	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M-3H"	-3.021828
"885776"	61.682224	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-3H"	-3.021828
"6538"	187.061224	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M-2H"	-2.014552
"451565"	281.095474	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M-2H"	-2.014552
"819531"	93.026974	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-2H"	-2.014552
"81711"	375.129724	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M-H"	-1.007276
"521269"	563.198224	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M-H"	-1.007276
"902351"	187.061224	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-H"	-1.007276
"54540"	392.156271	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M-2H+NH4"	16.019271
"496288"	580.224771	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M-2H+NH4"	16.019271
"870808"	204.087771	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-2H+NH4"	16.019271
"38709"	397.111666	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M-2H+Na"	20.974666
"480456"	585.180166	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M-2H+Na"	20.974666
"859351"	209.043166	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-2H+Na"	20.974666
"1628885"	209.043166	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Na-2H"	20.974666
"98852"	205.049563	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M-H+Cl"	33.962126
"539507"	299.083813	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M-H+Cl"	33.962126
"931200"	111.015313	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-H+Cl"	33.962126
"273767"	411.106402	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+Cl"	34.969402
"669469"	599.174902	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+Cl"	34.969402
"1279686"	223.037902	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Cl"	34.969402
"18233"	413.085606	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M-2H+K"	36.948606
"458158"	601.154106	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M-2H+K"	36.948606
"834871"	225.017106	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-2H+K"	36.948606
"1558724"	225.017106	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+K-2H"	36.948606
"944054"	233.066694	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-H+HCOOH"	44.998194
"362998"	421.135201	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+HCOOH-H"	44.998201
"346876"	435.150851	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+Hac-H"	59.013851
"1493204"	247.082351	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Hac-H"	59.013851
"959239"	255.048651	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-H+NaCOOH"	66.980151
"117277"	223.037902	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+2Cl"	69.938804
"552460"	317.072152	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+2Cl"	69.938804
"1024542"	129.003652	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2Cl"	69.938804
"1246309"	266.987385	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Br"	78.918885
"1305475"	269.043372	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Cl+HCOOH"	80.974872
"1321877"	291.025329	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Cl+NaCOOH"	102.956829
"911476"	301.054086	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M-H+CF3COOH"	112.985586
"1288526"	337.030764	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Cl+CF3COOH"	148.962264
"1374366"	153.055824	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H-2H2O"	-35.012676
"1386396"	171.0658	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H-H2O"	-17.0027
"287175"	377.144276	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+H"	1.007276
"683970"	565.212776	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+H"	1.007276
"1351572"	189.075776	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H"	1.007276
"127742"	189.075776	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+2H"	2.014552
"567300"	283.110026	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+2H"	2.014552
"1040473"	95.041526	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2H"	2.014552
"204725"	126.386276	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+3H"	3.021828
"646839"	189.075776	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+3H"	3.021828
"1162805"	63.696776	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+3H"	3.021828
"424417"	394.170823	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+NH4"	18.033823
"787047"	582.239323	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+NH4"	18.033823
"1681315"	206.102323	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+NH4"	18.033823
"330118"	197.5890495	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+H+NH4"	19.041099
"723345"	291.6232995	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+H+NH4"	19.041099
"1477138"	103.5547995	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H+NH4"	19.041099
"403147"	399.126218	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+Na"	22.989218
"768396"	587.194718	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+Na"	22.989218
"1612239"	211.057718	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Na"	22.989218
"323371"	200.066747	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+H+Na"	23.996494
"717983"	294.100997	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+H+Na"	23.996494
"1471803"	106.032497	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H+Na"	23.996494
"1057391"	71.02409	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2H+Na"	25.00377
"1263447"	221.101986	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+CH3OH+H"	33.033486
"388584"	415.100158	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+K"	38.963158
"745205"	603.168658	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+K"	38.963158
"1549449"	227.031658	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+K"	38.963158
"307716"	208.053717	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+H+K"	39.970434
"702326"	302.087967	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+H+K"	39.970434
"1451775"	114.019467	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H+K"	39.970434
"239282"	418.170826	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+ACN+H"	42.033826
"1216363"	230.102326	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+ACN+H"	42.033826
"1200978"	115.554801	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+ACN+2H"	43.041102
"197496"	421.10816	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+2Na-H"	44.97116
"628901"	609.17666	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+2Na-H"	44.97116
"1131450"	233.03966	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2Na-H"	44.97116
"173108"	211.057718	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+2Na"	45.978436
"620130"	305.091968	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+2Na"	45.978436
"1120355"	117.023468	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2Na"	45.978436
"1402057"	78.351404	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H+2Na"	46.985712
"1434902"	235.081246	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H+HCOOH"	47.012746
"221317"	216.09074	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+3H2O+2H"	56.04448
"1515954"	249.13329	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+IsoProp+H"	61.06479
"412722"	219.044688	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+Na+K"	61.952376
"772987"	313.078938	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+Na+K"	61.952376
"1667856"	125.010438	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Na+K"	61.952376
"259491"	440.152768	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+ACN+Na"	64.015768
"1234386"	252.084268	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+ACN+Na"	64.015768
"1717802"	252.107793	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+NH4+HCOOH"	64.039293
"1184253"	85.678718	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+3Na"	68.967654
"1654872"	257.063188	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Na+HCOOH"	68.994688
"161001"	453.05604	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+2K-H"	76.91904
"598859"	641.12454	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+2K-H"	76.91904
"1084383"	264.98754	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2K-H"	76.91904
"142136"	227.031658	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"2M+2K"	77.926316
"581426"	321.065908	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"3M+2K"	77.926316
"1076911"	132.997408	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2K"	77.926316
"1106840"	267.002092	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2K+H"	78.933592
"1344318"	267.089707	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+DMSO+H"	79.021207
"1020392"	271.128876	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2ACN+H"	83.060376
"1539576"	272.122508	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+IsoProp+Na+H"	84.054008
"1005614"	136.068076	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+2ACN+2H"	84.067652
"1602143"	273.037128	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+K+HCOOH"	84.968628
"1425975"	303.068638	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+H+CF3COOH"	115.000138
"1150065"	156.581351	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+3ACN+2H"	125.094202
"1700710"	320.095185	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+NH4+CF3COOH"	132.026685
"1637454"	325.05058	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+Na+CF3COOH"	136.98208
"1584041"	341.02452	"C16589"	"2-Oxosuberate;2-Oxooctanedionic acid;alpha-Ketosuberate"	"C8H12O5"	"188.0685"	"M+K+CF3COOH"	152.95602
"804565"	144.0786	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M"	0
"979191"	125.06021	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-H2O-H"	-19.01839
"71808"	95.045124	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M-3H"	-3.021828
"510273"	143.071324	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M-3H"	-3.021828
"890260"	47.018924	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-3H"	-3.021828
"8836"	143.071324	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M-2H"	-2.014552
"450582"	215.110624	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M-2H"	-2.014552
"820005"	71.032024	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-2H"	-2.014552
"84007"	287.149924	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M-H"	-1.007276
"522473"	431.228524	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M-H"	-1.007276
"903555"	143.071324	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-H"	-1.007276
"56837"	304.176471	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M-2H+NH4"	16.019271
"498585"	448.255071	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M-2H+NH4"	16.019271
"874198"	160.097871	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-2H+NH4"	16.019271
"41007"	309.131866	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M-2H+Na"	20.974666
"478379"	453.210466	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M-2H+Na"	20.974666
"861648"	165.053266	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-2H+Na"	20.974666
"1628995"	165.053266	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Na-2H"	20.974666
"97869"	161.059663	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M-H+Cl"	33.962126
"539617"	233.098963	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M-H+Cl"	33.962126
"931310"	89.020363	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-H+Cl"	33.962126
"272784"	323.126602	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+Cl"	34.969402
"669579"	467.205202	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+Cl"	34.969402
"1283076"	179.048002	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Cl"	34.969402
"19436"	325.105806	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M-2H+K"	36.948606
"457905"	469.184406	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M-2H+K"	36.948606
"834981"	181.027206	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-2H+K"	36.948606
"1557011"	181.027206	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+K-2H"	36.948606
"944163"	189.076794	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-H+HCOOH"	44.998194
"362743"	333.155401	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+HCOOH-H"	44.998201
"346500"	347.171051	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+Hac-H"	59.013851
"1494367"	203.092451	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Hac-H"	59.013851
"958904"	211.058751	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-H+NaCOOH"	66.980151
"119573"	179.048002	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+2Cl"	69.938804
"551840"	251.087302	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+2Cl"	69.938804
"1024652"	107.008702	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2Cl"	69.938804
"1246419"	222.997485	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Br"	78.918885
"1306314"	225.053472	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Cl+HCOOH"	80.974872
"1322716"	247.035429	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Cl+NaCOOH"	102.956829
"911422"	257.064186	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M-H+CF3COOH"	112.985586
"1288730"	293.040864	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Cl+CF3COOH"	148.962264
"1369009"	109.065924	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H-2H2O"	-35.012676
"1384319"	127.0759	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H-H2O"	-17.0027
"286191"	289.164476	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+H"	1.007276
"679706"	433.243076	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+H"	1.007276
"1352045"	145.085876	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H"	1.007276
"128945"	145.085876	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+2H"	2.014552
"566030"	217.125176	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+2H"	2.014552
"1040582"	73.046576	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2H"	2.014552
"204754"	97.059676	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+3H"	3.021828
"644757"	145.085876	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+3H"	3.021828
"1163242"	49.033476	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+3H"	3.021828
"424492"	306.191023	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+NH4"	18.033823
"787157"	450.269623	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+NH4"	18.033823
"1681652"	162.112423	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+NH4"	18.033823
"330057"	153.5991495	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+H+NH4"	19.041099
"722808"	225.6384495	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+H+NH4"	19.041099
"1477559"	81.5598495	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H+NH4"	19.041099
"406416"	311.146418	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+Na"	22.989218
"765347"	455.225018	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+Na"	22.989218
"1612349"	167.067818	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Na"	22.989218
"323481"	156.076847	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+H+Na"	23.996494
"717000"	228.116147	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+H+Na"	23.996494
"1467172"	84.037547	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H+Na"	23.996494
"1056408"	56.36079	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2H+Na"	25.00377
"1259180"	177.112086	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+CH3OH+H"	33.033486
"379946"	327.120358	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+K"	38.963158
"744217"	471.198958	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+K"	38.963158
"1550652"	183.041758	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+K"	38.963158
"306731"	164.063817	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+H+K"	39.970434
"699155"	236.103117	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+H+K"	39.970434
"1448604"	92.024517	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H+K"	39.970434
"238299"	330.191026	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+ACN+H"	42.033826
"1215380"	186.112426	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+ACN+H"	42.033826
"1201088"	93.559851	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+ACN+2H"	43.041102
"198700"	333.12836	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+2Na-H"	44.97116
"628575"	477.20696	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+2Na-H"	44.97116
"1132650"	189.04976	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2Na-H"	44.97116
"175212"	167.067818	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+2Na"	45.978436
"616960"	239.107118	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+2Na"	45.978436
"1123017"	95.028518	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2Na"	45.978436
"1400709"	63.688104	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H+2Na"	46.985712
"1436107"	191.091346	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H+HCOOH"	47.012746
"220938"	172.10084	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+3H2O+2H"	56.04448
"1514241"	205.14339	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+IsoProp+H"	61.06479
"412468"	175.054788	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+Na+K"	61.952376
"772733"	247.094088	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+Na+K"	61.952376
"1666873"	103.015488	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Na+K"	61.952376
"258503"	352.172968	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+ACN+Na"	64.015768
"1236682"	208.094368	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+ACN+Na"	64.015768
"1717547"	208.117893	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+NH4+HCOOH"	64.039293
"1184363"	71.015418	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+3Na"	68.967654
"1654254"	213.073288	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Na+HCOOH"	68.994688
"162570"	365.07624	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+2K-H"	76.91904
"602859"	509.15484	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+2K-H"	76.91904
"1085541"	220.99764	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2K-H"	76.91904
"141554"	183.041758	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"2M+2K"	77.926316
"582174"	255.081058	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"3M+2K"	77.926316
"1074834"	111.002458	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2K"	77.926316
"1106950"	223.012192	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2K+H"	78.933592
"1343335"	223.099807	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+DMSO+H"	79.021207
"1020503"	227.138976	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2ACN+H"	83.060376
"1539604"	228.132608	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+IsoProp+Na+H"	84.054008
"1005325"	114.073126	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+2ACN+2H"	84.067652
"1602251"	229.047228	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+K+HCOOH"	84.968628
"1426085"	259.078738	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+H+CF3COOH"	115.000138
"1153455"	134.586401	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+3ACN+2H"	125.094202
"1701913"	276.105285	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+NH4+CF3COOH"	132.026685
"1637564"	281.06068	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+Na+CF3COOH"	136.98208
"1584151"	297.03462	"C16590"	"7-Oxoheptanoic acid;7-Ketoheptanoic acid"	"C7H12O3"	"144.0786"	"M+K+CF3COOH"	152.95602
"802488"	209.0688	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M"	0
"979301"	190.05041	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-H2O-H"	-19.01839
"70825"	138.371924	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M-3H"	-3.021828
"508197"	208.061524	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M-3H"	-3.021828
"885996"	68.682324	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-3H"	-3.021828
"10040"	208.061524	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M-2H"	-2.014552
"449599"	312.595924	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M-2H"	-2.014552
"820845"	103.527124	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-2H"	-2.014552
"84120"	417.130324	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M-H"	-1.007276
"526957"	626.199124	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M-H"	-1.007276
"903665"	208.061524	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-H"	-1.007276
"58040"	434.156871	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M-2H+NH4"	16.019271
"495414"	643.225671	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M-2H+NH4"	16.019271
"873216"	225.088071	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-2H+NH4"	16.019271
"43304"	439.112266	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M-2H+Na"	20.974666
"477396"	648.181066	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M-2H+Na"	20.974666
"857384"	230.043466	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-2H+Na"	20.974666
"1625824"	230.043466	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Na-2H"	20.974666
"99073"	226.049863	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M-H+Cl"	33.962126
"538998"	330.584263	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M-H+Cl"	33.962126
"928866"	121.515463	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-H+Cl"	33.962126
"267135"	453.107002	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+Cl"	34.969402
"668596"	662.175802	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+Cl"	34.969402
"1284280"	244.038202	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Cl"	34.969402
"21370"	455.086206	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M-2H+K"	36.948606
"459838"	664.155006	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M-2H+K"	36.948606
"835457"	246.017406	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-2H+K"	36.948606
"1556107"	246.017406	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+K-2H"	36.948606
"943019"	254.066994	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-H+HCOOH"	44.998194
"361638"	463.135801	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+HCOOH-H"	44.998201
"346368"	477.151451	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+Hac-H"	59.013851
"1493385"	268.082651	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Hac-H"	59.013851
"958687"	276.048951	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-H+NaCOOH"	66.980151
"118590"	244.038202	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+2Cl"	69.938804
"550857"	348.572602	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+2Cl"	69.938804
"1024033"	139.503802	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2Cl"	69.938804
"1246529"	287.987685	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Br"	78.918885
"1305696"	290.043672	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Cl+HCOOH"	80.974872
"1321732"	312.025629	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Cl+NaCOOH"	102.956829
"912060"	322.054386	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M-H+CF3COOH"	112.985586
"1288539"	358.031064	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Cl+CF3COOH"	148.962264
"1368754"	174.056124	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H-2H2O"	-35.012676
"1385523"	192.0661	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H-H2O"	-17.0027
"287395"	419.144876	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+H"	1.007276
"683097"	628.213676	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+H"	1.007276
"1352156"	210.076076	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H"	1.007276
"127961"	210.076076	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+2H"	2.014552
"568613"	314.610476	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+2H"	2.014552
"1040692"	105.541676	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2H"	2.014552
"204343"	140.386476	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+3H"	3.021828
"646328"	210.076076	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+3H"	3.021828
"1163723"	70.696876	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+3H"	3.021828
"424684"	436.171423	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+NH4"	18.033823
"788361"	645.240223	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+NH4"	18.033823
"1681769"	227.102623	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+NH4"	18.033823
"331145"	218.5893495	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+H+NH4"	19.041099
"723442"	323.1237495	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+H+NH4"	19.041099
"1479211"	114.0549495	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H+NH4"	19.041099
"406648"	441.126818	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+Na"	22.989218
"763268"	650.195618	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+Na"	22.989218
"1612459"	232.058018	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Na"	22.989218
"319216"	221.067047	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+H+Na"	23.996494
"716012"	325.601447	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+H+Na"	23.996494
"1467644"	116.532647	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H+Na"	23.996494
"1058335"	78.02419	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2H+Na"	25.00377
"1260384"	242.102286	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+CH3OH+H"	33.033486
"381149"	457.100758	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+K"	38.963158
"744326"	666.169558	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+K"	38.963158
"1547479"	248.031958	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+K"	38.963158
"305748"	229.054017	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+H+K"	39.970434
"700357"	333.588417	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+H+K"	39.970434
"1449807"	124.519617	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H+K"	39.970434
"238409"	460.171426	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+ACN+H"	42.033826
"1212210"	251.102626	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+ACN+H"	42.033826
"1200834"	126.054951	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+ACN+2H"	43.041102
"192975"	463.10876	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+2Na-H"	44.97116
"628763"	672.17756	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+2Na-H"	44.97116
"1132519"	254.03996	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2Na-H"	44.97116
"174471"	232.058018	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+2Na"	45.978436
"617799"	336.592418	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+2Na"	45.978436
"1123491"	127.523618	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2Na"	45.978436
"1399726"	85.351504	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H+2Na"	46.985712
"1433664"	256.081546	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H+HCOOH"	47.012746
"221048"	237.09104	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+3H2O+2H"	56.04448
"1514715"	270.13359	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+IsoProp+H"	61.06479
"410755"	240.044988	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+Na+K"	61.952376
"771384"	344.579388	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+Na+K"	61.952376
"1666493"	135.510588	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Na+K"	61.952376
"256789"	482.153368	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+ACN+Na"	64.015768
"1233512"	273.084568	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+ACN+Na"	64.015768
"1714011"	273.108093	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+NH4+HCOOH"	64.039293
"1181190"	92.678818	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+3Na"	68.967654
"1649933"	278.063488	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Na+HCOOH"	68.994688
"158306"	495.05664	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+2K-H"	76.91904
"600417"	704.12544	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+2K-H"	76.91904
"1084393"	285.98784	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2K-H"	76.91904
"141572"	248.031958	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"2M+2K"	77.926316
"581630"	352.566358	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"3M+2K"	77.926316
"1074944"	143.497558	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2K"	77.926316
"1110341"	288.002392	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2K+H"	78.933592
"1343445"	288.090007	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+DMSO+H"	79.021207
"1020857"	292.129176	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2ACN+H"	83.060376
"1539347"	293.122808	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+IsoProp+Na+H"	84.054008
"1005432"	146.568226	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+2ACN+2H"	84.067652
"1602119"	294.037428	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+K+HCOOH"	84.968628
"1427652"	324.068938	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+H+CF3COOH"	115.000138
"1153565"	167.081501	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+3ACN+2H"	125.094202
"1703117"	341.095485	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+NH4+CF3COOH"	132.026685
"1637674"	346.05088	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+Na+CF3COOH"	136.98208
"1584261"	362.02482	"C16591"	"3-Carbamoyl-2-phenylpropionic acid"	"C10H11NO4"	"209.0688"	"M+K+CF3COOH"	152.95602
"804785"	132.0575	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M"	0
"979410"	113.03911	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-H2O-H"	-19.01839
"70933"	87.0310573333333	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M-3H"	-3.021828
"510492"	131.050224	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M-3H"	-3.021828
"887199"	43.0118906666667	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-3H"	-3.021828
"10147"	131.050224	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M-2H"	-2.014552
"447522"	197.078974	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M-2H"	-2.014552
"824235"	65.021474	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-2H"	-2.014552
"88603"	263.107724	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M-H"	-1.007276
"530350"	395.165224	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M-H"	-1.007276
"903776"	131.050224	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-H"	-1.007276
"58151"	280.134271	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M-2H+NH4"	16.019271
"497711"	412.191771	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M-2H+NH4"	16.019271
"873326"	148.076771	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-2H+NH4"	16.019271
"42321"	285.089666	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M-2H+Na"	20.974666
"477506"	417.147166	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M-2H+Na"	20.974666
"856401"	153.032166	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-2H+Na"	20.974666
"1624841"	153.032166	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Na-2H"	20.974666
"99183"	149.038563	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M-H+Cl"	33.962126
"538744"	215.067313	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M-H+Cl"	33.962126
"929341"	83.009813	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-H+Cl"	33.962126
"267405"	299.084402	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+Cl"	34.969402
"666519"	431.141902	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+Cl"	34.969402
"1282203"	167.026902	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Cl"	34.969402
"23667"	301.063606	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M-2H+K"	36.948606
"458855"	433.121106	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M-2H+K"	36.948606
"837754"	169.006106	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-2H+K"	36.948606
"1559055"	169.006106	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+K-2H"	36.948606
"944385"	177.055694	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-H+HCOOH"	44.998194
"364423"	309.113201	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+HCOOH-H"	44.998201
"347578"	323.128851	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+Hac-H"	59.013851
"1494098"	191.071351	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Hac-H"	59.013851
"961031"	199.037651	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-H+NaCOOH"	66.980151
"119793"	167.026902	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+2Cl"	69.938804
"550480"	233.055652	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+2Cl"	69.938804
"1025965"	100.998152	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2Cl"	69.938804
"1246639"	210.976385	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Br"	78.918885
"1306899"	213.032372	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Cl+HCOOH"	80.974872
"1321114"	235.014329	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Cl+NaCOOH"	102.956829
"911764"	245.043086	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M-H+CF3COOH"	112.985586
"1289972"	281.019764	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Cl+CF3COOH"	148.962264
"1367406"	97.044824	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H-2H2O"	-35.012676
"1388912"	115.0548	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H-H2O"	-17.0027
"285682"	265.122276	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+H"	1.007276
"682114"	397.179776	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+H"	1.007276
"1352266"	133.064776	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H"	1.007276
"128071"	133.064776	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+2H"	2.014552
"570910"	199.093526	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+2H"	2.014552
"1037276"	67.036026	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2H"	2.014552
"205422"	89.0456093333333	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+3H"	3.021828
"644341"	133.064776	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+3H"	3.021828
"1162802"	45.0264426666667	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+3H"	3.021828
"425037"	282.148823	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+NH4"	18.033823
"786036"	414.206323	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+NH4"	18.033823
"1681388"	150.091323	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+NH4"	18.033823
"330768"	141.5780495	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+H+NH4"	19.041099
"723309"	207.6067995	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+H+NH4"	19.041099
"1478349"	75.5492995	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H+NH4"	19.041099
"404570"	287.104218	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+Na"	22.989218
"763378"	419.161718	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+Na"	22.989218
"1607102"	155.046718	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Na"	22.989218
"318233"	144.055747	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+H+Na"	23.996494
"713936"	210.084497	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+H+Na"	23.996494
"1464838"	78.026997	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H+Na"	23.996494
"1055531"	52.3537566666667	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2H+Na"	25.00377
"1260492"	165.090986	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+CH3OH+H"	33.033486
"382352"	303.078158	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+K"	38.963158
"741156"	435.135658	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+K"	38.963158
"1548682"	171.020658	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+K"	38.963158
"306949"	152.042717	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+H+K"	39.970434
"699374"	218.071467	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+H+K"	39.970434
"1446635"	86.013967	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H+K"	39.970434
"236332"	306.148826	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+ACN+H"	42.033826
"1210497"	174.091326	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+ACN+H"	42.033826
"1199121"	87.549301	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+ACN+2H"	43.041102
"189805"	309.08616	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+2Na-H"	44.97116
"636294"	441.14366	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+2Na-H"	44.97116
"1131729"	177.02866	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2Na-H"	44.97116
"173485"	155.046718	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+2Na"	45.978436
"614992"	221.075468	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+2Na"	45.978436
"1118134"	89.017968	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2Na"	45.978436
"1398656"	59.6810706666667	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H+2Na"	46.985712
"1430979"	179.070246	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H+HCOOH"	47.012746
"220424"	160.07974	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+3H2O+2H"	56.04448
"1514097"	193.12229	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+IsoProp+H"	61.06479
"413782"	163.033688	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+Na+K"	61.952376
"772223"	229.062438	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+Na+K"	61.952376
"1666362"	97.004938	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Na+K"	61.952376
"257629"	328.130768	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+ACN+Na"	64.015768
"1235809"	196.073268	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+ACN+Na"	64.015768
"1719588"	196.096793	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+NH4+HCOOH"	64.039293
"1178696"	67.0083846666667	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+3Na"	68.967654
"1654473"	201.052188	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Na+HCOOH"	68.994688
"157686"	341.03404	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+2K-H"	76.91904
"600527"	473.09154	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+2K-H"	76.91904
"1085039"	208.97654	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2K-H"	76.91904
"141611"	171.020658	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"2M+2K"	77.926316
"581781"	237.049408	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"3M+2K"	77.926316
"1075054"	104.991908	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2K"	77.926316
"1110451"	210.991092	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2K+H"	78.933592
"1343555"	211.078707	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+DMSO+H"	79.021207
"1018653"	215.117876	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2ACN+H"	83.060376
"1537874"	216.111508	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+IsoProp+Na+H"	84.054008
"1004323"	108.062576	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+2ACN+2H"	84.067652
"1598825"	217.026128	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+K+HCOOH"	84.968628
"1423388"	247.057638	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+H+CF3COOH"	115.000138
"1150395"	128.575851	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+3ACN+2H"	125.094202
"1702134"	264.084185	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+NH4+CF3COOH"	132.026685
"1635597"	269.03958	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+Na+CF3COOH"	136.98208
"1584371"	285.01352	"C16592"	"Atropaldehyde;2-Phenylpropenal"	"C9H8O"	"132.0575"	"M+K+CF3COOH"	152.95602
"801736"	162.0715	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M"	0
"978427"	143.05311	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-H2O-H"	-19.01839
"67763"	107.040390666667	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M-3H"	-3.021828
"508415"	161.064224	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M-3H"	-3.021828
"886216"	53.0165573333333	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-3H"	-3.021828
"6978"	161.064224	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M-2H"	-2.014552
"446538"	242.099974	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M-2H"	-2.014552
"823251"	80.028474	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-2H"	-2.014552
"85432"	323.135724	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M-H"	-1.007276
"526084"	485.207224	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M-H"	-1.007276
"904980"	161.064224	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-H"	-1.007276
"56074"	340.162271	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M-2H+NH4"	16.019271
"495634"	502.233771	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M-2H+NH4"	16.019271
"873436"	178.090771	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-2H+NH4"	16.019271
"42431"	345.117666	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M-2H+Na"	20.974666
"476523"	507.189166	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M-2H+Na"	20.974666
"855417"	183.046166	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-2H+Na"	20.974666
"1624951"	183.046166	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Na-2H"	20.974666
"95282"	179.052563	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M-H+Cl"	33.962126
"536302"	260.088313	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M-H+Cl"	33.962126
"928354"	98.016813	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-H+Cl"	33.962126
"267430"	359.112402	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+Cl"	34.969402
"663349"	521.183902	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+Cl"	34.969402
"1282313"	197.040902	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Cl"	34.969402
"22682"	361.091606	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M-2H+K"	36.948606
"460056"	523.163106	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M-2H+K"	36.948606
"835677"	199.020106	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-2H+K"	36.948606
"1559165"	199.020106	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+K-2H"	36.948606
"944860"	207.069694	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-H+HCOOH"	44.998194
"362346"	369.141201	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+HCOOH-H"	44.998201
"348053"	383.156851	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+Hac-H"	59.013851
"1494695"	221.085351	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Hac-H"	59.013851
"961869"	229.051651	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-H+NaCOOH"	66.980151
"115520"	197.040902	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+2Cl"	69.938804
"550104"	278.076652	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+2Cl"	69.938804
"1024982"	116.005152	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2Cl"	69.938804
"1250029"	240.990385	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Br"	78.918885
"1307374"	243.046372	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Cl+HCOOH"	80.974872
"1320496"	265.028329	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Cl+NaCOOH"	102.956829
"911552"	275.057086	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M-H+CF3COOH"	112.985586
"1288989"	311.033764	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Cl+CF3COOH"	148.962264
"1367516"	127.058824	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H-2H2O"	-35.012676
"1389022"	145.0688	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H-H2O"	-17.0027
"285428"	325.150276	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+H"	1.007276
"683317"	487.221776	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+H"	1.007276
"1352740"	163.078776	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H"	1.007276
"127453"	163.078776	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+2H"	2.014552
"572114"	244.114526	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+2H"	2.014552
"1039819"	82.043026	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2H"	2.014552
"205532"	109.054942666667	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+3H"	3.021828
"644480"	163.078776	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+3H"	3.021828
"1163576"	55.0311093333333	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+3H"	3.021828
"425876"	342.176823	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+NH4"	18.033823
"787609"	504.248323	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+NH4"	18.033823
"1681744"	180.105323	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+NH4"	18.033823
"332096"	171.5920495	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+H+NH4"	19.041099
"724272"	252.6277995	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+H+NH4"	19.041099
"1478336"	90.5562995	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H+NH4"	19.041099
"400305"	347.132218	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+Na"	22.989218
"758018"	509.203718	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+Na"	22.989218
"1607207"	185.060718	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Na"	22.989218
"319430"	174.069747	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+H+Na"	23.996494
"707846"	255.105497	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+H+Na"	23.996494
"1463855"	93.033997	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H+Na"	23.996494
"1055643"	62.3584233333333	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2H+Na"	25.00377
"1259509"	195.104986	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+CH3OH+H"	33.033486
"382463"	363.106158	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+K"	38.963158
"742361"	525.177658	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+K"	38.963158
"1549885"	201.034658	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+K"	38.963158
"305968"	182.056717	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+H+K"	39.970434
"698391"	263.092467	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+H+K"	39.970434
"1448932"	101.020967	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H+K"	39.970434
"239721"	366.176826	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+ACN+H"	42.033826
"1211336"	204.105326	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+ACN+H"	42.033826
"1195340"	102.556301	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+ACN+2H"	43.041102
"191008"	369.11416	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+2Na-H"	44.97116
"637496"	531.18566	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+2Na-H"	44.97116
"1132615"	207.04266	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2Na-H"	44.97116
"174447"	185.060718	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+2Na"	45.978436
"615830"	266.096468	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+2Na"	45.978436
"1117514"	104.024968	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2Na"	45.978436
"1400067"	69.6857373333333	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H+2Na"	46.985712
"1431086"	209.084246	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H+HCOOH"	47.012746
"221025"	190.09374	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+3H2O+2H"	56.04448
"1514207"	223.13629	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+IsoProp+H"	61.06479
"412798"	193.047688	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+Na+K"	61.952376
"772333"	274.083438	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+Na+K"	61.952376
"1666350"	112.011938	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Na+K"	61.952376
"257011"	388.158768	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+ACN+Na"	64.015768
"1234824"	226.087268	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+ACN+Na"	64.015768
"1718606"	226.110793	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+NH4+HCOOH"	64.039293
"1178650"	77.0130513333333	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+3Na"	68.967654
"1653854"	231.066188	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Na+HCOOH"	68.994688
"157553"	401.06204	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+2K-H"	76.91904
"601730"	563.13354	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+2K-H"	76.91904
"1086244"	238.99054	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2K-H"	76.91904
"141630"	201.034658	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"2M+2K"	77.926316
"581387"	282.070408	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"3M+2K"	77.926316
"1072977"	119.998908	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2K"	77.926316
"1100958"	241.005092	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2K+H"	78.933592
"1343665"	241.092707	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+DMSO+H"	79.021207
"1020831"	245.131876	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2ACN+H"	83.060376
"1538714"	246.125508	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+IsoProp+Na+H"	84.054008
"1002246"	123.069576	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+2ACN+2H"	84.067652
"1601121"	247.040128	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+K+HCOOH"	84.968628
"1422405"	277.071638	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+H+CF3COOH"	115.000138
"1149413"	143.582851	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+3ACN+2H"	125.094202
"1702244"	294.098185	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+NH4+CF3COOH"	132.026685
"1637895"	299.05358	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+Na+CF3COOH"	136.98208
"1581201"	315.02752	"C16593"	"7-Mercaptoheptanoic acid"	"C7H14O2S"	"162.0715"	"M+K+CF3COOH"	152.95602
"806098"	263.1191	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M"	0
"979630"	244.10071	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-H2O-H"	-19.01839
"68966"	174.405457333333	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M-3H"	-3.021828
"508525"	262.111824	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M-3H"	-3.021828
"887419"	86.6990906666667	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-3H"	-3.021828
"5994"	262.111824	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M-2H"	-2.014552
"447741"	393.671374	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M-2H"	-2.014552
"821175"	130.552274	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-2H"	-2.014552
"85540"	525.230924	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M-H"	-1.007276
"526195"	788.350024	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M-H"	-1.007276
"903997"	262.111824	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-H"	-1.007276
"52903"	542.257471	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M-2H+NH4"	16.019271
"490277"	805.376571	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M-2H+NH4"	16.019271
"871360"	279.138371	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-2H+NH4"	16.019271
"42541"	547.212866	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M-2H+Na"	20.974666
"476632"	810.331966	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M-2H+Na"	20.974666
"854434"	284.093766	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-2H+Na"	20.974666
"1625061"	284.093766	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Na-2H"	20.974666
"95513"	280.100163	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M-H+Cl"	33.962126
"536533"	411.659713	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M-H+Cl"	33.962126
"928099"	148.540613	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-H+Cl"	33.962126
"267417"	561.207602	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+Cl"	34.969402
"661997"	824.326702	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+Cl"	34.969402
"1283516"	298.088502	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Cl"	34.969402
"23885"	563.186806	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M-2H+K"	36.948606
"461259"	826.305906	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M-2H+K"	36.948606
"834694"	300.067706	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-2H+K"	36.948606
"1557086"	300.067706	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+K-2H"	36.948606
"944240"	308.117294	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-H+HCOOH"	44.998194
"363184"	571.236401	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+HCOOH-H"	44.998201
"349256"	585.252051	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+Hac-H"	59.013851
"1494806"	322.132951	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Hac-H"	59.013851
"961615"	330.099251	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-H+NaCOOH"	66.980151
"116723"	298.088502	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+2Cl"	69.938804
"553010"	429.648052	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+2Cl"	69.938804
"1029464"	166.528952	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2Cl"	69.938804
"1246859"	342.037985	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Br"	78.918885
"1308213"	344.093972	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Cl+HCOOH"	80.974872
"1320970"	366.075929	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Cl+NaCOOH"	102.956829
"911861"	376.104686	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M-H+CF3COOH"	112.985586
"1290193"	412.081364	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Cl+CF3COOH"	148.962264
"1369450"	228.106424	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H-2H2O"	-35.012676
"1389132"	246.1164	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H-H2O"	-17.0027
"286632"	527.245476	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+H"	1.007276
"682332"	790.364576	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+H"	1.007276
"1352121"	264.126376	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H"	1.007276
"129385"	264.126376	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+2H"	2.014552
"571130"	395.685926	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+2H"	2.014552
"1041022"	132.566826	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2H"	2.014552
"206735"	176.420009333333	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+3H"	3.021828
"644280"	264.126376	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+3H"	3.021828
"1162956"	88.7136426666667	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+3H"	3.021828
"425016"	544.272023	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+NH4"	18.033823
"787598"	807.391123	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+NH4"	18.033823
"1681340"	281.152923	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+NH4"	18.033823
"332206"	272.6396495	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+H+NH4"	19.041099
"723288"	404.1991995	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+H+NH4"	19.041099
"1478811"	141.0800995	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H+NH4"	19.041099
"399316"	549.227418	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+Na"	22.989218
"760315"	812.346518	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+Na"	22.989218
"1608410"	286.108318	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Na"	22.989218
"320633"	275.117347	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+H+Na"	23.996494
"710138"	406.676897	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+H+Na"	23.996494
"1462861"	143.557797	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H+Na"	23.996494
"1059030"	96.0409566666667	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2H+Na"	25.00377
"1260707"	296.152586	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+CH3OH+H"	33.033486
"382566"	565.201358	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+K"	38.963158
"742469"	828.320458	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+K"	38.963158
"1549996"	302.082258	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+K"	38.963158
"307171"	283.104317	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+H+K"	39.970434
"700688"	414.663867	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+H+K"	39.970434
"1452322"	151.544767	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H+K"	39.970434
"237766"	568.272026	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+ACN+H"	42.033826
"1214726"	305.152926	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+ACN+H"	42.033826
"1196421"	153.080101	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+ACN+2H"	43.041102
"190511"	571.20936	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+2Na-H"	44.97116
"637606"	834.32846	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+2Na-H"	44.97116
"1131873"	308.09026	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2Na-H"	44.97116
"174071"	286.108318	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+2Na"	45.978436
"614968"	417.667868	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+2Na"	45.978436
"1118353"	154.548768	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2Na"	45.978436
"1401151"	103.368270666667	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H+2Na"	46.985712
"1431318"	310.131846	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H+HCOOH"	47.012746
"221257"	291.14134	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+3H2O+2H"	56.04448
"1515410"	324.18389	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+IsoProp+H"	61.06479
"414002"	294.095288	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+Na+K"	61.952376
"772078"	425.654838	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+Na+K"	61.952376
"1665851"	162.535738	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Na+K"	61.952376
"256757"	590.253968	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+ACN+Na"	64.015768
"1226181"	327.134868	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+ACN+Na"	64.015768
"1717987"	327.158393	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+NH4+HCOOH"	64.039293
"1178632"	110.695584666667	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+3Na"	68.967654
"1654694"	332.113788	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Na+HCOOH"	68.994688
"158268"	603.15724	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+2K-H"	76.91904
"598194"	866.27634	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+2K-H"	76.91904
"1085746"	340.03814	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2K-H"	76.91904
"141949"	302.082258	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"2M+2K"	77.926316
"581875"	433.641808	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"3M+2K"	77.926316
"1075274"	170.522708	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2K"	77.926316
"1101310"	342.052692	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2K+H"	78.933592
"1343775"	342.140307	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+DMSO+H"	79.021207
"1021149"	346.179476	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2ACN+H"	83.060376
"1538581"	347.173108	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+IsoProp+Na+H"	84.054008
"1004301"	173.593376	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+2ACN+2H"	84.067652
"1601230"	348.087728	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+K+HCOOH"	84.968628
"1423609"	378.119238	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+H+CF3COOH"	115.000138
"1154991"	194.106651	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+3ACN+2H"	125.094202
"1703448"	395.145785	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+NH4+CF3COOH"	132.026685
"1640192"	400.10118	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+Na+CF3COOH"	136.98208
"1581311"	416.07512	"C16594"	"7-Mercaptoheptanoylthreonine"	"C11H21NO4S"	"263.1191"	"M+K+CF3COOH"	152.95602
"803292"	193.0739	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M"	0
"977553"	174.05551	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-H2O-H"	-19.01839
"65796"	127.708657333333	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M-3H"	-3.021828
"510822"	192.066624	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M-3H"	-3.021828
"885342"	63.3506906666667	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-3H"	-3.021828
"8291"	192.066624	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M-2H"	-2.014552
"447851"	288.603574	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M-2H"	-2.014552
"821285"	95.529674	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-2H"	-2.014552
"84557"	385.140524	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M-H"	-1.007276
"524118"	578.214424	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M-H"	-1.007276
"905200"	192.066624	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-H"	-1.007276
"53013"	402.167071	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M-2H+NH4"	16.019271
"494760"	595.240971	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M-2H+NH4"	16.019271
"868189"	209.093171	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-2H+NH4"	16.019271
"38277"	407.122466	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M-2H+Na"	20.974666
"475649"	600.196366	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M-2H+Na"	20.974666
"854544"	214.048566	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-2H+Na"	20.974666
"1625171"	214.048566	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Na-2H"	20.974666
"98420"	210.054963	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M-H+Cl"	33.962126
"536523"	306.591913	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M-H+Cl"	33.962126
"928092"	113.518013	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-H+Cl"	33.962126
"267241"	421.117202	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+Cl"	34.969402
"662107"	614.191102	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+Cl"	34.969402
"1275970"	228.043302	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Cl"	34.969402
"19623"	423.096406	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M-2H+K"	36.948606
"458455"	616.170306	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M-2H+K"	36.948606
"834804"	230.022506	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-2H+K"	36.948606
"1555980"	230.022506	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+K-2H"	36.948606
"946175"	238.072094	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-H+HCOOH"	44.998194
"363660"	431.146001	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+HCOOH-H"	44.998201
"351555"	445.161651	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+Hac-H"	59.013851
"1496011"	252.087751	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Hac-H"	59.013851
"960388"	260.054051	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-H+NaCOOH"	66.980151
"115741"	228.043302	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+2Cl"	69.938804
"553120"	324.580252	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+2Cl"	69.938804
"1029577"	131.506352	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2Cl"	69.938804
"1246969"	271.992785	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Br"	78.918885
"1308323"	274.048772	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Cl+HCOOH"	80.974872
"1324361"	296.030729	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Cl+NaCOOH"	102.956829
"913596"	306.059486	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M-H+CF3COOH"	112.985586
"1289574"	342.036164	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Cl+CF3COOH"	148.962264
"1370288"	158.061224	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H-2H2O"	-35.012676
"1392523"	176.0712	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H-H2O"	-17.0027
"286742"	387.155076	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+H"	1.007276
"685724"	580.228976	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+H"	1.007276
"1353325"	194.081176	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H"	1.007276
"128401"	194.081176	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+2H"	2.014552
"573427"	290.618126	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+2H"	2.014552
"1041132"	97.544226	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2H"	2.014552
"206845"	129.723209333333	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+3H"	3.021828
"644391"	194.081176	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+3H"	3.021828
"1164891"	65.3652426666667	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+3H"	3.021828
"425613"	404.181623	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+NH4"	18.033823
"786614"	597.255523	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+NH4"	18.033823
"1681302"	211.107723	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+NH4"	18.033823
"331587"	202.5944495	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+H+NH4"	19.041099
"723155"	299.1313995	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+H+NH4"	19.041099
"1478558"	106.0574995	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H+NH4"	19.041099
"396510"	409.137018	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+Na"	22.989218
"759696"	602.210918	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+Na"	22.989218
"1607428"	216.063118	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Na"	22.989218
"318921"	205.072147	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+H+Na"	23.996494
"709519"	301.609097	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+H+Na"	23.996494
"1462609"	108.535197	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H+Na"	23.996494
"1058410"	72.6925566666667	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2H+Na"	25.00377
"1257536"	226.107386	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+CH3OH+H"	33.033486
"381583"	425.110958	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+K"	38.963158
"742580"	618.184858	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+K"	38.963158
"1547920"	232.037058	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+K"	38.963158
"308376"	213.059117	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+H+K"	39.970434
"699703"	309.596067	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+H+K"	39.970434
"1449152"	116.522167	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H+K"	39.970434
"238845"	428.181626	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+ACN+H"	42.033826
"1211919"	235.107726	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+ACN+H"	42.033826
"1196535"	118.057501	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+ACN+2H"	43.041102
"190500"	431.11896	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+2Na-H"	44.97116
"632613"	624.19286	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+2Na-H"	44.97116
"1132836"	238.04506	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2Na-H"	44.97116
"174790"	216.063118	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+2Na"	45.978436
"617509"	312.600068	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+2Na"	45.978436
"1120651"	119.526168	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2Na"	45.978436
"1403083"	80.0198706666667	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H+2Na"	46.985712
"1432646"	240.086646	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H+HCOOH"	47.012746
"220272"	221.09614	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+3H2O+2H"	56.04448
"1514427"	254.13869	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+IsoProp+H"	61.06479
"412287"	224.050088	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+Na+K"	61.952376
"771085"	320.587038	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+Na+K"	61.952376
"1666080"	127.513138	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Na+K"	61.952376
"256501"	450.163568	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+ACN+Na"	64.015768
"1226775"	257.089668	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+ACN+Na"	64.015768
"1717004"	257.113193	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+NH4+HCOOH"	64.039293
"1179804"	87.3471846666667	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+3Na"	68.967654
"1653344"	262.068588	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Na+HCOOH"	68.994688
"159839"	463.06684	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+2K-H"	76.91904
"599034"	656.14074	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+2K-H"	76.91904
"1085614"	269.99294	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2K-H"	76.91904
"142664"	232.037058	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"2M+2K"	77.926316
"581784"	328.574008	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"3M+2K"	77.926316
"1074291"	135.500108	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2K"	77.926316
"1102271"	272.007492	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2K+H"	78.933592
"1342792"	272.095107	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+DMSO+H"	79.021207
"1018980"	276.134276	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2ACN+H"	83.060376
"1537107"	277.127908	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+IsoProp+Na+H"	84.054008
"1004045"	138.570776	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+2ACN+2H"	84.067652
"1593685"	278.042528	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+K+HCOOH"	84.968628
"1424812"	308.074038	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+H+CF3COOH"	115.000138
"1156194"	159.084051	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+3ACN+2H"	125.094202
"1701371"	325.100585	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+NH4+CF3COOH"	132.026685
"1637021"	330.05598	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+Na+CF3COOH"	136.98208
"1581421"	346.02992	"C16595"	"4-Hydroxy-5-phenyltetrahydro-13-oxazin-2-one"	"C10H11NO3"	"193.0739"	"M+K+CF3COOH"	152.95602
"802066"	191.0582	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M"	0
"975477"	172.03981	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-H2O-H"	-19.01839
"64813"	126.364857333333	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M-3H"	-3.021828
"513119"	190.050924	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M-3H"	-3.021828
"885452"	62.6787906666667	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-3H"	-3.021828
"5121"	190.050924	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M-2H"	-2.014552
"441400"	285.580024	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M-2H"	-2.014552
"822489"	94.521824	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-2H"	-2.014552
"84667"	381.109124	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M-H"	-1.007276
"526416"	572.167324	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M-H"	-1.007276
"907497"	190.050924	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-H"	-1.007276
"50937"	398.135671	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M-2H+NH4"	16.019271
"492683"	589.193871	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M-2H+NH4"	16.019271
"866113"	207.077471	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-2H+NH4"	16.019271
"38387"	403.091066	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M-2H+Na"	20.974666
"476853"	594.149266	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M-2H+Na"	20.974666
"853561"	212.032866	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-2H+Na"	20.974666
"1625281"	212.032866	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Na-2H"	20.974666
"95251"	208.039263	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M-H+Cl"	33.962126
"539185"	303.568363	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M-H+Cl"	33.962126
"929052"	112.510163	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-H+Cl"	33.962126
"267562"	417.085802	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+Cl"	34.969402
"664405"	608.144002	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+Cl"	34.969402
"1276444"	226.027602	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Cl"	34.969402
"18641"	419.065006	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M-2H+K"	36.948606
"460387"	610.123206	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M-2H+K"	36.948606
"838194"	228.006806	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-2H+K"	36.948606
"1555605"	228.006806	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+K-2H"	36.948606
"946286"	236.056394	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-H+HCOOH"	44.998194
"368875"	427.114601	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+HCOOH-H"	44.998201
"349479"	441.130251	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+Hac-H"	59.013851
"1495027"	250.072051	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Hac-H"	59.013851
"958921"	258.038351	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-H+NaCOOH"	66.980151
"115851"	226.027602	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+2Cl"	69.938804
"550029"	321.556702	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+2Cl"	69.938804
"1022394"	130.498502	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2Cl"	69.938804
"1242703"	269.977085	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Br"	78.918885
"1308433"	272.033072	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Cl+HCOOH"	80.974872
"1319894"	294.015029	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Cl+NaCOOH"	102.956829
"911756"	304.043786	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M-H+CF3COOH"	112.985586
"1289435"	340.020464	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Cl+CF3COOH"	148.962264
"1368088"	156.045524	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H-2H2O"	-35.012676
"1382908"	174.0555	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H-H2O"	-17.0027
"284663"	383.123676	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+H"	1.007276
"678176"	574.181876	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+H"	1.007276
"1352338"	192.065476	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H"	1.007276
"129604"	192.065476	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+2H"	2.014552
"571349"	287.594576	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+2H"	2.014552
"1039055"	96.536376	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2H"	2.014552
"204333"	128.379409333333	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+3H"	3.021828
"644929"	192.065476	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+3H"	3.021828
"1165731"	64.6933426666667	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+3H"	3.021828
"426815"	400.150223	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+NH4"	18.033823
"785746"	591.208423	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+NH4"	18.033823
"1683055"	209.092023	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+NH4"	18.033823
"336800"	200.5787495	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+H+NH4"	19.041099
"723995"	296.1078495	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+H+NH4"	19.041099
"1478178"	105.0496495	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H+NH4"	19.041099
"398442"	405.105618	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+Na"	22.989218
"758349"	596.163818	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+Na"	22.989218
"1605712"	214.047418	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Na"	22.989218
"318667"	203.056447	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+H+Na"	23.996494
"709265"	298.585547	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+H+Na"	23.996494
"1462354"	107.527347	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H+Na"	23.996494
"1056334"	72.0206566666667	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2H+Na"	25.00377
"1257643"	224.091686	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+CH3OH+H"	33.033486
"377436"	421.079558	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+K"	38.963158
"739043"	612.137758	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+K"	38.963158
"1548028"	230.021358	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+K"	38.963158
"308486"	211.043417	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+H+K"	39.970434
"696533"	306.572517	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+H+K"	39.970434
"1447803"	115.514317	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H+K"	39.970434
"236768"	424.150226	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+ACN+H"	42.033826
"1211057"	233.092026	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+ACN+H"	42.033826
"1196645"	117.049651	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+ACN+2H"	43.041102
"189517"	427.08756	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+2Na-H"	44.97116
"631266"	618.14576	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+2Na-H"	44.97116
"1132583"	236.02936	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2Na-H"	44.97116
"174780"	214.047418	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+2Na"	45.978436
"617622"	309.576518	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+2Na"	45.978436
"1120033"	118.518318	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2Na"	45.978436
"1402465"	79.3479706666667	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H+2Na"	46.985712
"1433486"	238.070946	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H+HCOOH"	47.012746
"221355"	219.08044	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+3H2O+2H"	56.04448
"1514537"	252.12299	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+IsoProp+H"	61.06479
"410575"	222.034388	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+Na+K"	61.952376
"770586"	317.563488	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+Na+K"	61.952376
"1665825"	126.505288	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Na+K"	61.952376
"255518"	446.132168	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+ACN+Na"	64.015768
"1226156"	255.073968	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+ACN+Na"	64.015768
"1713703"	255.097493	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+NH4+HCOOH"	64.039293
"1178942"	86.6752846666667	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+3Na"	68.967654
"1650407"	260.052888	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Na+HCOOH"	68.994688
"157876"	459.03544	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+2K-H"	76.91904
"597799"	650.09364	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+2K-H"	76.91904
"1085117"	267.97724	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2K-H"	76.91904
"141463"	230.021358	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"2M+2K"	77.926316
"581691"	325.550458	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"3M+2K"	77.926316
"1070265"	134.492258	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2K"	77.926316
"1101282"	269.991792	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2K+H"	78.933592
"1335962"	270.079407	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+DMSO+H"	79.021207
"1015810"	274.118576	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2ACN+H"	83.060376
"1537217"	275.112208	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+IsoProp+Na+H"	84.054008
"1005371"	137.562926	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+2ACN+2H"	84.067652
"1594888"	276.026828	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+K+HCOOH"	84.968628
"1424922"	306.058338	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+H+CF3COOH"	115.000138
"1156304"	158.076201	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+3ACN+2H"	125.094202
"1701481"	323.084885	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+NH4+CF3COOH"	132.026685
"1637131"	328.04028	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+Na+CF3COOH"	136.98208
"1581531"	344.01422	"C16596"	"5-Phenyl-13-oxazinane-24-dione"	"C10H9NO3"	"191.0582"	"M+K+CF3COOH"	152.95602
"805335"	220.0583	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M"	0
"978867"	201.03991	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-H2O-H"	-19.01839
"66016"	145.698257333333	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M-3H"	-3.021828
"511042"	219.051024	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M-3H"	-3.021828
"886655"	72.3454906666667	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-3H"	-3.021828
"8511"	219.051024	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M-2H"	-2.014552
"449165"	329.080174	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M-2H"	-2.014552
"820411"	109.021874	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-2H"	-2.014552
"83682"	439.109324	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M-H"	-1.007276
"528712"	659.167624	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M-H"	-1.007276
"901410"	219.051024	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-H"	-1.007276
"51045"	456.135871	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M-2H+NH4"	16.019271
"492427"	676.194171	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M-2H+NH4"	16.019271
"868774"	236.077571	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-2H+NH4"	16.019271
"38497"	461.091266	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M-2H+Na"	20.974666
"478057"	681.149566	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M-2H+Na"	20.974666
"854035"	241.032966	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-2H+Na"	20.974666
"1622109"	241.032966	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Na-2H"	20.974666
"100097"	237.039363	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M-H+Cl"	33.962126
"537469"	347.068513	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M-H+Cl"	33.962126
"933170"	127.010213	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-H+Cl"	33.962126
"269539"	475.086002	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+Cl"	34.969402
"663420"	695.144302	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+Cl"	34.969402
"1278376"	255.027702	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Cl"	34.969402
"19845"	477.065206	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M-2H+K"	36.948606
"459404"	697.123506	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M-2H+K"	36.948606
"838304"	257.006906	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-2H+K"	36.948606
"1556323"	257.006906	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+K-2H"	36.948606
"949677"	265.056494	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-H+HCOOH"	44.998194
"372267"	485.114801	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+HCOOH-H"	44.998201
"352870"	499.130451	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+Hac-H"	59.013851
"1499515"	279.072151	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Hac-H"	59.013851
"969243"	287.038451	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-H+NaCOOH"	66.980151
"124713"	255.027702	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+2Cl"	69.938804
"558804"	365.056852	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+2Cl"	69.938804
"1024321"	144.998552	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2Cl"	69.938804
"1242084"	298.977185	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Br"	78.918885
"1308543"	301.033172	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Cl+HCOOH"	80.974872
"1323853"	323.015129	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Cl+NaCOOH"	102.956829
"913450"	333.043886	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M-H+CF3COOH"	112.985586
"1291251"	369.020564	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Cl+CF3COOH"	148.962264
"1373061"	185.045624	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H-2H2O"	-35.012676
"1383064"	203.0556	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H-H2O"	-17.0027
"284774"	441.123876	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+H"	1.007276
"676466"	661.182176	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+H"	1.007276
"1354634"	221.065576	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H"	1.007276
"129715"	221.065576	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+2H"	2.014552
"570366"	331.094726	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+2H"	2.014552
"1040258"	111.036426	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2H"	2.014552
"207064"	147.712809333333	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+3H"	3.021828
"646622"	221.065576	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+3H"	3.021828
"1169121"	74.3600426666667	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+3H"	3.021828
"432394"	458.150423	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+NH4"	18.033823
"790114"	678.208723	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+NH4"	18.033823
"1684622"	238.092123	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+NH4"	18.033823
"335817"	229.5788495	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+H+NH4"	19.041099
"728238"	339.6079995	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+H+NH4"	19.041099
"1480235"	119.5496995	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H+NH4"	19.041099
"397459"	463.105818	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+Na"	22.989218
"758458"	683.164118	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+Na"	22.989218
"1608011"	243.047518	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Na"	22.989218
"320963"	232.056547	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+H+Na"	23.996494
"711197"	342.085697	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+H+Na"	23.996494
"1466109"	122.027397	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H+Na"	23.996494
"1054986"	81.6873566666667	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2H+Na"	25.00377
"1262126"	253.091786	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+CH3OH+H"	33.033486
"378520"	479.079758	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+K"	38.963158
"740243"	699.138058	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+K"	38.963158
"1548139"	259.021458	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+K"	38.963158
"306408"	240.043517	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+H+K"	39.970434
"696642"	350.072667	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+H+K"	39.970434
"1450466"	130.014367	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H+K"	39.970434
"241255"	482.150426	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+ACN+H"	42.033826
"1211776"	262.092126	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+ACN+H"	42.033826
"1200037"	131.549701	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+ACN+2H"	43.041102
"194001"	485.08776	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+2Na-H"	44.97116
"631375"	705.14606	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+2Na-H"	44.97116
"1133788"	265.02946	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2Na-H"	44.97116
"175255"	243.047518	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+2Na"	45.978436
"622106"	353.076668	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+2Na"	45.978436
"1119050"	133.018368	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2Na"	45.978436
"1403668"	89.0146706666667	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H+2Na"	46.985712
"1436877"	267.071046	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H+HCOOH"	47.012746
"222199"	248.08054	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+3H2O+2H"	56.04448
"1511731"	281.12309	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+IsoProp+H"	61.06479
"409225"	251.034488	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+Na+K"	61.952376
"771306"	361.063638	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+Na+K"	61.952376
"1666908"	141.005338	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Na+K"	61.952376
"253800"	504.132368	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+ACN+Na"	64.015768
"1226140"	284.074068	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+ACN+Na"	64.015768
"1713693"	284.097593	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+NH4+HCOOH"	64.039293
"1180021"	96.3419846666667	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+3Na"	68.967654
"1650642"	289.052988	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Na+HCOOH"	68.994688
"158597"	517.03564	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+2K-H"	76.91904
"598886"	737.09394	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+2K-H"	76.91904
"1084606"	296.97734	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2K-H"	76.91904
"141706"	259.021458	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"2M+2K"	77.926316
"581398"	369.050608	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"3M+2K"	77.926316
"1071228"	148.992308	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2K"	77.926316
"1100782"	298.991892	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2K+H"	78.933592
"1336070"	299.079507	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+DMSO+H"	79.021207
"1015918"	303.118676	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2ACN+H"	83.060376
"1536234"	304.112308	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+IsoProp+Na+H"	84.054008
"1002685"	152.062976	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+2ACN+2H"	84.067652
"1601196"	305.026928	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+K+HCOOH"	84.968628
"1423939"	335.058438	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+H+CF3COOH"	115.000138
"1155320"	172.576251	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+3ACN+2H"	125.094202
"1701591"	352.084985	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+NH4+CF3COOH"	132.026685
"1638335"	357.04038	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+Na+CF3COOH"	136.98208
"1581641"	373.01432	"C16597"	"(-)-threo-Iso(homo)2-citrate;(-)-threo-1-Hydroxy-125-pentanetricarboxylic acid;1-Hydroxypentane-125-tricarboxylate;threo-(Homo)2-isocitrate"	"C8H12O7"	"220.0583"	"M+K+CF3COOH"	152.95602
"812006"	234.074	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M"	0
"981165"	215.05561	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-H2O-H"	-19.01839
"68313"	155.042057333333	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M-3H"	-3.021828
"508964"	233.066724	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M-3H"	-3.021828
"888952"	77.0173906666667	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-3H"	-3.021828
"9715"	233.066724	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M-2H"	-2.014552
"450369"	350.103724	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M-2H"	-2.014552
"820522"	116.029724	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-2H"	-2.014552
"82699"	467.140724	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M-H"	-1.007276
"525542"	701.214724	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M-H"	-1.007276
"905530"	233.066724	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-H"	-1.007276
"53706"	484.167271	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M-2H+NH4"	16.019271
"492172"	718.241271	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M-2H+NH4"	16.019271
"868884"	250.093271	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-2H+NH4"	16.019271
"37147"	489.122666	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M-2H+Na"	20.974666
"478167"	723.196666	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M-2H+Na"	20.974666
"853781"	255.048666	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-2H+Na"	20.974666
"1621491"	255.048666	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Na-2H"	20.974666
"102030"	251.055063	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M-H+Cl"	33.962126
"541591"	368.092063	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M-H+Cl"	33.962126
"932918"	134.018063	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-H+Cl"	33.962126
"271109"	503.117402	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+Cl"	34.969402
"662436"	737.191402	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+Cl"	34.969402
"1278486"	269.043402	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Cl"	34.969402
"19954"	505.096606	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M-2H+K"	36.948606
"462793"	739.170606	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M-2H+K"	36.948606
"834762"	271.022606	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-2H+K"	36.948606
"1555823"	271.022606	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+K-2H"	36.948606
"946506"	279.072194	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-H+HCOOH"	44.998194
"373107"	513.146201	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+HCOOH-H"	44.998201
"358449"	527.161851	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+Hac-H"	59.013851
"1502906"	293.087851	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Hac-H"	59.013851
"969719"	301.054151	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-H+NaCOOH"	66.980151
"124097"	269.043402	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+2Cl"	69.938804
"558914"	386.080402	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+2Cl"	69.938804
"1029898"	152.006402	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2Cl"	69.938804
"1242922"	312.992885	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Br"	78.918885
"1306466"	315.048872	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Cl+HCOOH"	80.974872
"1321897"	337.030829	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Cl+NaCOOH"	102.956829
"913560"	347.059586	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M-H+CF3COOH"	112.985586
"1290268"	383.036264	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Cl+CF3COOH"	148.962264
"1373171"	199.061324	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H-2H2O"	-35.012676
"1383740"	217.0713	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H-H2O"	-17.0027
"285248"	469.155276	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+H"	1.007276
"677669"	703.229276	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+H"	1.007276
"1354380"	235.081276	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H"	1.007276
"130918"	235.081276	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+2H"	2.014552
"570476"	352.118276	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+2H"	2.014552
"1040367"	118.044276	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2H"	2.014552
"210454"	157.056609333333	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+3H"	3.021828
"648919"	235.081276	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+3H"	3.021828
"1169230"	79.0319426666667	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+3H"	3.021828
"433597"	486.181823	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+NH4"	18.033823
"790224"	720.255823	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+NH4"	18.033823
"1685460"	252.107823	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+NH4"	18.033823
"339207"	243.5945495	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+H+NH4"	19.041099
"731628"	360.6315495	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+H+NH4"	19.041099
"1486541"	126.5575495	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H+NH4"	19.041099
"398300"	491.137218	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+Na"	22.989218
"758568"	725.211218	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+Na"	22.989218
"1609945"	257.063218	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Na"	22.989218
"321073"	246.072247	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+H+Na"	23.996494
"710213"	363.109247	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+H+Na"	23.996494
"1467314"	129.035247	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H+Na"	23.996494
"1055821"	86.3592566666667	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2H+Na"	25.00377
"1262238"	267.107486	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+CH3OH+H"	33.033486
"381916"	507.111158	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+K"	38.963158
"739627"	741.185158	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+K"	38.963158
"1541075"	273.037158	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+K"	38.963158
"307613"	254.059217	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+H+K"	39.970434
"698943"	371.096217	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+H+K"	39.970434
"1450578"	137.022217	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H+K"	39.970434
"245743"	510.181826	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+ACN+H"	42.033826
"1212983"	276.107826	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+ACN+H"	42.033826
"1197960"	138.557551	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+ACN+2H"	43.041102
"197393"	513.11916	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+2Na-H"	44.97116
"632582"	747.19316	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+2Na-H"	44.97116
"1139368"	279.04516	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2Na-H"	44.97116
"175368"	257.063218	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+2Na"	45.978436
"616384"	374.100218	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+2Na"	45.978436
"1119162"	140.026218	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2Na"	45.978436
"1401591"	93.6865706666667	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H+2Na"	46.985712
"1440268"	281.086746	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H+HCOOH"	47.012746
"222674"	262.09624	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+3H2O+2H"	56.04448
"1511105"	295.13879	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+IsoProp+H"	61.06479
"410186"	265.050188	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+Na+K"	61.952376
"771785"	382.087188	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+Na+K"	61.952376
"1666655"	148.013188	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Na+K"	61.952376
"252445"	532.163768	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+ACN+Na"	64.015768
"1227706"	298.089768	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+ACN+Na"	64.015768
"1714044"	298.113293	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+NH4+HCOOH"	64.039293
"1183047"	101.013884666667	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+3Na"	68.967654
"1651237"	303.068688	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Na+HCOOH"	68.994688
"158707"	545.06704	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+2K-H"	76.91904
"598636"	779.14104	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+2K-H"	76.91904
"1084722"	310.99304	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2K-H"	76.91904
"142019"	273.037158	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"2M+2K"	77.926316
"581583"	390.074158	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"3M+2K"	77.926316
"1071338"	156.000158	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2K"	77.926316
"1100059"	313.007592	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2K+H"	78.933592
"1335775"	313.095207	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+DMSO+H"	79.021207
"1005930"	317.134376	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2ACN+H"	83.060376
"1537439"	318.128008	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+IsoProp+Na+H"	84.054008
"1003768"	159.070826	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+2ACN+2H"	84.067652
"1598390"	319.042628	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+K+HCOOH"	84.968628
"1424049"	349.074138	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+H+CF3COOH"	115.000138
"1155430"	179.584101	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+3ACN+2H"	125.094202
"1701700"	366.100685	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+NH4+CF3COOH"	132.026685
"1641725"	371.05608	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+Na+CF3COOH"	136.98208
"1581751"	387.03002	"C16598"	"(R)-(Homo)3-citrate;(R)-2-Hydroxy-126-hexanetricarboxylate;(R)-2-Hydroxy-126-hexanetricarboxylic acid"	"C9H14O7"	"234.074"	"M+K+CF3COOH"	152.95602
"808835"	234.074	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M"	0
"982368"	215.05561	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-H2O-H"	-19.01839
"70610"	155.042057333333	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M-3H"	-3.021828
"514542"	233.066724	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M-3H"	-3.021828
"891250"	77.0173906666667	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-3H"	-3.021828
"9826"	233.066724	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M-2H"	-2.014552
"449385"	350.103724	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M-2H"	-2.014552
"820631"	116.029724	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-2H"	-2.014552
"84997"	467.140724	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M-H"	-1.007276
"525652"	701.214724	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M-H"	-1.007276
"901266"	233.066724	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-H"	-1.007276
"55641"	484.167271	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M-2H+NH4"	16.019271
"491921"	718.241271	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M-2H+NH4"	16.019271
"873004"	250.093271	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-2H+NH4"	16.019271
"36529"	489.122666	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M-2H+Na"	20.974666
"478277"	723.196666	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M-2H+Na"	20.974666
"854984"	255.048666	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-2H+Na"	20.974666
"1623787"	255.048666	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Na-2H"	20.974666
"101046"	251.055063	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M-H+Cl"	33.962126
"541701"	368.092063	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M-H+Cl"	33.962126
"935214"	134.018063	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-H+Cl"	33.962126
"270854"	503.117402	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+Cl"	34.969402
"663638"	737.191402	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+Cl"	34.969402
"1276042"	269.043402	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Cl"	34.969402
"19335"	505.096606	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M-2H+K"	36.948606
"462903"	739.170606	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M-2H+K"	36.948606
"834509"	271.022606	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-2H+K"	36.948606
"1557632"	271.022606	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+K-2H"	36.948606
"952083"	279.072194	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-H+HCOOH"	44.998194
"373581"	513.146201	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+HCOOH-H"	44.998201
"359287"	527.161851	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+Hac-H"	59.013851
"1505934"	293.087851	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Hac-H"	59.013851
"968370"	301.054151	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-H+NaCOOH"	66.980151
"124206"	269.043402	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+2Cl"	69.938804
"557931"	386.080402	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+2Cl"	69.938804
"1027822"	152.006402	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2Cl"	69.938804
"1244129"	312.992885	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Br"	78.918885
"1308762"	315.048872	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Cl+HCOOH"	80.974872
"1322980"	337.030829	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Cl+NaCOOH"	102.956829
"916222"	347.059586	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M-H+CF3COOH"	112.985586
"1295117"	383.036264	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Cl+CF3COOH"	148.962264
"1376561"	199.061324	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H-2H2O"	-35.012676
"1386403"	217.0713	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H-H2O"	-17.0027
"286087"	469.155276	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+H"	1.007276
"679602"	703.229276	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+H"	1.007276
"1357043"	235.081276	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H"	1.007276
"133214"	235.081276	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+2H"	2.014552
"570950"	352.118276	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+2H"	2.014552
"1043758"	118.044276	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2H"	2.014552
"209471"	157.056609333333	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+3H"	3.021828
"649029"	235.081276	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+3H"	3.021828
"1169341"	79.0319426666667	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+3H"	3.021828
"430427"	486.181823	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+NH4"	18.033823
"792521"	720.255823	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+NH4"	18.033823
"1687757"	252.107823	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+NH4"	18.033823
"339317"	243.5945495	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+H+NH4"	19.041099
"730645"	360.6315495	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+H+NH4"	19.041099
"1484464"	126.5575495	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H+NH4"	19.041099
"397317"	491.137218	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+Na"	22.989218
"757585"	725.211218	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+Na"	22.989218
"1610056"	257.063218	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Na"	22.989218
"320089"	246.072247	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+H+Na"	23.996494
"710323"	363.109247	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+H+Na"	23.996494
"1464143"	129.035247	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H+Na"	23.996494
"1055202"	86.3592566666667	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2H+Na"	25.00377
"1260889"	267.107486	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+CH3OH+H"	33.033486
"382026"	507.111158	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+K"	38.963158
"738685"	741.185158	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+K"	38.963158
"1540332"	273.037158	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+K"	38.963158
"307723"	254.059217	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+H+K"	39.970434
"703427"	371.096217	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+H+K"	39.970434
"1455060"	137.022217	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H+K"	39.970434
"242569"	510.181826	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+ACN+H"	42.033826
"1215280"	276.107826	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+ACN+H"	42.033826
"1197703"	138.557551	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+ACN+2H"	43.041102
"191667"	513.11916	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+2Na-H"	44.97116
"641442"	747.19316	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+2Na-H"	44.97116
"1141668"	279.04516	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2Na-H"	44.97116
"179489"	257.063218	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+2Na"	45.978436
"616497"	374.100218	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+2Na"	45.978436
"1119637"	140.026218	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2Na"	45.978436
"1400365"	93.6865706666667	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H+2Na"	46.985712
"1431995"	281.086746	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H+HCOOH"	47.012746
"223514"	262.09624	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+3H2O+2H"	56.04448
"1514866"	295.13879	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+IsoProp+H"	61.06479
"412730"	265.050188	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+Na+K"	61.952376
"772991"	382.087188	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+Na+K"	61.952376
"1669321"	148.013188	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Na+K"	61.952376
"257300"	532.163768	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+ACN+Na"	64.015768
"1231102"	298.089768	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+ACN+Na"	64.015768
"1717803"	298.113293	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+NH4+HCOOH"	64.039293
"1183155"	101.013884666667	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+3Na"	68.967654
"1652076"	303.068688	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Na+HCOOH"	68.994688
"161007"	545.06704	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+2K-H"	76.91904
"599110"	779.14104	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+2K-H"	76.91904
"1085447"	310.99304	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2K-H"	76.91904
"142013"	273.037158	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"2M+2K"	77.926316
"581694"	390.074158	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"3M+2K"	77.926316
"1069745"	156.000158	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2K"	77.926316
"1101618"	313.007592	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2K+H"	78.933592
"1335932"	313.095207	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+DMSO+H"	79.021207
"1005832"	317.134376	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2ACN+H"	83.060376
"1535361"	318.128008	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+IsoProp+Na+H"	84.054008
"1003515"	159.070826	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+2ACN+2H"	84.067652
"1598501"	319.042628	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+K+HCOOH"	84.968628
"1424160"	349.074138	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+H+CF3COOH"	115.000138
"1152261"	179.584101	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+3ACN+2H"	125.094202
"1702905"	366.100685	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+NH4+CF3COOH"	132.026685
"1641835"	371.05608	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+Na+CF3COOH"	136.98208
"1581861"	387.03002	"C16600"	"(-)-threo-Iso(homo)3-citrate;(-)-threo-1-Hydroxy-126-hexanetricarboxylic acid;1-Hydroxyhexane-126-tricarboxylate;threo-(Homo)3-isocitrate"	"C9H14O7"	"234.074"	"M+K+CF3COOH"	152.95602
"805665"	252.0899	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M"	0
"977010"	233.07151	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H2O-H"	-19.01839
"67437"	167.052657333333	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-3H"	-3.021828
"510278"	251.082624	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-3H"	-3.021828
"891360"	83.0226906666667	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-3H"	-3.021828
"9935"	251.082624	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H"	-2.014552
"449495"	377.127574	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H"	-2.014552
"821834"	125.037674	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H"	-2.014552
"81825"	503.172524	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-H"	-1.007276
"523575"	755.262424	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-H"	-1.007276
"900283"	251.082624	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H"	-1.007276
"55751"	520.199071	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+NH4"	16.019271
"492031"	772.288971	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+NH4"	16.019271
"872020"	268.109171	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H+NH4"	16.019271
"39920"	525.154466	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+Na"	20.974666
"480575"	777.244366	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+Na"	20.974666
"856188"	273.064566	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H+Na"	20.974666
"1623897"	273.064566	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na-2H"	20.974666
"100425"	269.070963	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-H+Cl"	33.962126
"539624"	395.115913	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-H+Cl"	33.962126
"932772"	143.026013	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+Cl"	33.962126
"270964"	539.149202	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Cl"	34.969402
"663383"	791.239102	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+Cl"	34.969402
"1275789"	287.059302	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl"	34.969402
"26736"	541.128406	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+K"	36.948606
"460827"	793.218306	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+K"	36.948606
"834621"	289.038506	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H+K"	36.948606
"1558108"	289.038506	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K-2H"	36.948606
"947818"	297.088094	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+HCOOH"	44.998194
"374784"	549.178001	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+HCOOH-H"	44.998201
"359764"	563.193651	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Hac-H"	59.013851
"1505313"	311.103751	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Hac-H"	59.013851
"970666"	319.070051	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+NaCOOH"	66.980151
"124316"	287.059302	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2Cl"	69.938804
"560227"	413.104252	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2Cl"	69.938804
"1027932"	161.014352	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2Cl"	69.938804
"1245332"	331.008785	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Br"	78.918885
"1312153"	333.064772	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+HCOOH"	80.974872
"1329650"	355.046729	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+NaCOOH"	102.956829
"914510"	365.075486	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+CF3COOH"	112.985586
"1293041"	401.052164	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+CF3COOH"	148.962264
"1373391"	217.077224	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H-2H2O"	-35.012676
"1386513"	235.0872	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H-H2O"	-17.0027
"286197"	505.187076	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H"	1.007276
"681899"	757.276976	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H"	1.007276
"1357153"	253.097176	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H"	1.007276
"133324"	253.097176	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2H"	2.014552
"567780"	379.142126	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2H"	2.014552
"1042775"	127.052226	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2H"	2.014552
"209581"	169.067209333333	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+3H"	3.021828
"651326"	253.097176	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+3H"	3.021828
"1170547"	85.0372426666667	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+3H"	3.021828
"430538"	522.213623	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+NH4"	18.033823
"793725"	774.303523	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+NH4"	18.033823
"1686408"	270.123723	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+NH4"	18.033823
"339427"	261.6104495	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H+NH4"	19.041099
"731848"	387.6553995	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H+NH4"	19.041099
"1484574"	135.5654995	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+NH4"	19.041099
"400340"	527.169018	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Na"	22.989218
"757696"	779.258918	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+Na"	22.989218
"1607979"	275.079118	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na"	22.989218
"319106"	264.088147	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H+Na"	23.996494
"711526"	390.133097	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H+Na"	23.996494
"1463158"	138.043197	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+Na"	23.996494
"1055678"	92.3645566666667	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2H+Na"	25.00377
"1262455"	285.123386	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+CH3OH+H"	33.033486
"382136"	543.142958	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+K"	38.963158
"739484"	795.232858	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+K"	38.963158
"1540809"	291.053058	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K"	38.963158
"308926"	272.075117	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H+K"	39.970434
"702444"	398.120067	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H+K"	39.970434
"1457358"	146.030167	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+K"	39.970434
"247052"	546.213626	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+ACN+H"	42.033826
"1215390"	294.123726	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+H"	42.033826
"1198179"	147.565501	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+2H"	43.041102
"195424"	549.15096	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2Na-H"	44.97116
"642280"	801.24086	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2Na-H"	44.97116
"1138497"	297.06106	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2Na-H"	44.97116
"185066"	275.079118	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2Na"	45.978436
"619159"	401.124068	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2Na"	45.978436
"1119748"	149.034168	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2Na"	45.978436
"1400354"	99.6918706666667	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+2Na"	46.985712
"1432105"	299.102646	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+HCOOH"	47.012746
"225083"	280.11214	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+3H2O+2H"	56.04448
"1511322"	313.15469	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+IsoProp+H"	61.06479
"412475"	283.066088	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Na+K"	61.952376
"774194"	409.111038	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+Na+K"	61.952376
"1668702"	157.021138	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na+K"	61.952376
"255224"	568.195568	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+ACN+Na"	64.015768
"1229024"	316.105668	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+Na"	64.015768
"1716821"	316.129193	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+NH4+HCOOH"	64.039293
"1182172"	107.019184666667	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+3Na"	68.967654
"1652068"	321.084588	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na+HCOOH"	68.994688
"158927"	581.09884	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2K-H"	76.91904
"598856"	833.18874	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2K-H"	76.91904
"1085557"	329.00894	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2K-H"	76.91904
"150760"	291.053058	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2K"	77.926316
"588133"	417.098008	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2K"	77.926316
"1070464"	165.008108	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2K"	77.926316
"1100308"	331.023492	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2K+H"	78.933592
"1335717"	331.111107	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+DMSO+H"	79.021207
"1005758"	335.150276	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2ACN+H"	83.060376
"1535471"	336.143908	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+IsoProp+Na+H"	84.054008
"1003381"	168.078776	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2ACN+2H"	84.067652
"1596425"	337.058528	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K+HCOOH"	84.968628
"1420990"	367.090038	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+CF3COOH"	115.000138
"1152371"	188.592051	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+3ACN+2H"	125.094202
"1704108"	384.116585	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+NH4+CF3COOH"	132.026685
"1641945"	389.07198	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na+CF3COOH"	136.98208
"1581971"	405.04592	"C16601"	"2-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K+CF3COOH"	152.95602
"805775"	252.0899	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M"	0
"978214"	233.07151	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H2O-H"	-19.01839
"65362"	167.052657333333	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-3H"	-3.021828
"510387"	251.082624	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-3H"	-3.021828
"888189"	83.0226906666667	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-3H"	-3.021828
"7857"	251.082624	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H"	-2.014552
"448512"	377.127574	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H"	-2.014552
"819757"	125.037674	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H"	-2.014552
"80843"	503.172524	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-H"	-1.007276
"520403"	755.262424	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-H"	-1.007276
"897838"	251.082624	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H"	-1.007276
"52581"	520.199071	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+NH4"	16.019271
"491046"	772.288971	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+NH4"	16.019271
"869943"	268.109171	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H+NH4"	16.019271
"40030"	525.154466	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+Na"	20.974666
"477767"	777.244366	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+Na"	20.974666
"856298"	273.064566	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H+Na"	20.974666
"1624736"	273.064566	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na-2H"	20.974666
"99078"	269.070963	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-H+Cl"	33.962126
"539004"	395.115913	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-H+Cl"	33.962126
"928143"	143.026013	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+Cl"	33.962126
"272898"	539.149202	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Cl"	34.969402
"662398"	791.239102	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+Cl"	34.969402
"1276626"	287.059302	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl"	34.969402
"17360"	541.128406	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M-2H+K"	36.948606
"456562"	793.218306	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M-2H+K"	36.948606
"834732"	289.038506	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-2H+K"	36.948606
"1556069"	289.038506	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K-2H"	36.948606
"942878"	297.088094	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+HCOOH"	44.998194
"372707"	549.178001	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+HCOOH-H"	44.998201
"356590"	563.193651	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Hac-H"	59.013851
"1504329"	311.103751	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Hac-H"	59.013851
"969683"	319.070051	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+NaCOOH"	66.980151
"121872"	287.059302	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2Cl"	69.938804
"553776"	413.104252	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2Cl"	69.938804
"1025855"	161.014352	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2Cl"	69.938804
"1249816"	331.008785	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Br"	78.918885
"1313357"	333.064772	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+HCOOH"	80.974872
"1329760"	355.046729	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+NaCOOH"	102.956829
"914256"	365.075486	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M-H+CF3COOH"	112.985586
"1294244"	401.052164	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Cl+CF3COOH"	148.962264
"1374594"	217.077224	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H-2H2O"	-35.012676
"1386623"	235.0872	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H-H2O"	-17.0027
"285214"	505.187076	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H"	1.007276
"680916"	757.276976	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H"	1.007276
"1357264"	253.097176	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H"	1.007276
"132341"	253.097176	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2H"	2.014552
"568983"	379.142126	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2H"	2.014552
"1043979"	127.052226	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2H"	2.014552
"208598"	169.067209333333	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+3H"	3.021828
"649249"	253.097176	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+3H"	3.021828
"1170655"	85.0372426666667	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+3H"	3.021828
"433926"	522.213623	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+NH4"	18.033823
"793835"	774.303523	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+NH4"	18.033823
"1687977"	270.123723	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+NH4"	18.033823
"337350"	261.6104495	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H+NH4"	19.041099
"733051"	387.6553995	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H+NH4"	19.041099
"1484684"	135.5654995	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+NH4"	19.041099
"400450"	527.169018	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Na"	22.989218
"759992"	779.258918	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+Na"	22.989218
"1609181"	275.079118	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na"	22.989218
"317394"	264.088147	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H+Na"	23.996494
"710906"	390.133097	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H+Na"	23.996494
"1465455"	138.043197	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+Na"	23.996494
"1055059"	92.3645566666667	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2H+Na"	25.00377
"1262565"	285.123386	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+CH3OH+H"	33.033486
"380060"	543.142958	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+K"	38.963158
"740687"	795.232858	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+K"	38.963158
"1541647"	291.053058	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K"	38.963158
"309036"	272.075117	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+H+K"	39.970434
"702554"	398.120067	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+H+K"	39.970434
"1457468"	146.030167	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+K"	39.970434
"246069"	546.213626	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+ACN+H"	42.033826
"1214407"	294.123726	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+H"	42.033826
"1197196"	147.565501	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+2H"	43.041102
"191525"	549.15096	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2Na-H"	44.97116
"640568"	801.24086	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2Na-H"	44.97116
"1136784"	297.06106	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2Na-H"	44.97116
"184083"	275.079118	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2Na"	45.978436
"619269"	401.124068	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2Na"	45.978436
"1118035"	149.034168	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2Na"	45.978436
"1401193"	99.6918706666667	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+2Na"	46.985712
"1433308"	299.102646	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+HCOOH"	47.012746
"222270"	280.11214	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+3H2O+2H"	56.04448
"1512161"	313.15469	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+IsoProp+H"	61.06479
"410392"	283.066088	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+Na+K"	61.952376
"770697"	409.111038	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+Na+K"	61.952376
"1669907"	157.021138	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na+K"	61.952376
"255699"	568.195568	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+ACN+Na"	64.015768
"1228769"	316.105668	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+ACN+Na"	64.015768
"1715105"	316.129193	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+NH4+HCOOH"	64.039293
"1178669"	107.019184666667	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+3Na"	68.967654
"1649869"	321.084588	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na+HCOOH"	68.994688
"157942"	581.09884	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2K-H"	76.91904
"598598"	833.18874	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2K-H"	76.91904
"1085303"	329.00894	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2K-H"	76.91904
"146496"	291.053058	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"2M+2K"	77.926316
"587150"	417.098008	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"3M+2K"	77.926316
"1069230"	165.008108	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2K"	77.926316
"1101229"	331.023492	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2K+H"	78.933592
"1336277"	331.111107	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+DMSO+H"	79.021207
"1005745"	335.150276	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2ACN+H"	83.060376
"1535581"	336.143908	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+IsoProp+Na+H"	84.054008
"1004218"	168.078776	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+2ACN+2H"	84.067652
"1597628"	337.058528	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K+HCOOH"	84.968628
"1421100"	367.090038	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+H+CF3COOH"	115.000138
"1152481"	188.592051	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+3ACN+2H"	125.094202
"1703125"	384.116585	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+NH4+CF3COOH"	132.026685
"1638775"	389.07198	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+Na+CF3COOH"	136.98208
"1582081"	405.04592	"C16602"	"3-Hydroxycarbamazepine"	"C15H12N2O2"	"252.0899"	"M+K+CF3COOH"	152.95602
"802605"	268.0848	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M"	0
"975043"	249.06641	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-H2O-H"	-19.01839
"67657"	177.715924	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M-3H"	-3.021828
"517546"	267.077524	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M-3H"	-3.021828
"892674"	88.354324	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-3H"	-3.021828
"12341"	267.077524	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M-2H"	-2.014552
"451902"	401.119924	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M-2H"	-2.014552
"821325"	133.035124	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-2H"	-2.014552
"85328"	535.162324	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M-H"	-1.007276
"523795"	803.247124	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M-H"	-1.007276
"900503"	267.077524	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-H"	-1.007276
"53784"	552.188871	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M-2H+NH4"	16.019271
"498812"	820.273671	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M-2H+NH4"	16.019271
"870054"	284.104071	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-2H+NH4"	16.019271
"41234"	557.144266	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M-2H+Na"	20.974666
"482984"	825.229066	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M-2H+Na"	20.974666
"855316"	289.059466	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-2H+Na"	20.974666
"1624850"	289.059466	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Na-2H"	20.974666
"97001"	285.065863	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M-H+Cl"	33.962126
"539843"	419.108263	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M-H+Cl"	33.962126
"930442"	151.023463	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-H+Cl"	33.962126
"271550"	571.139002	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+Cl"	34.969402
"667618"	839.223802	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+Cl"	34.969402
"1278925"	303.054202	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Cl"	34.969402
"17836"	573.118206	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M-2H+K"	36.948606
"456306"	841.203006	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M-2H+K"	36.948606
"833381"	305.033406	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-2H+K"	36.948606
"1560151"	305.033406	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+K-2H"	36.948606
"943538"	313.082994	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-H+HCOOH"	44.998194
"366253"	581.167801	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+HCOOH-H"	44.998201
"353418"	595.183451	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+Hac-H"	59.013851
"1502252"	327.098651	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Hac-H"	59.013851
"962136"	335.064951	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-H+NaCOOH"	66.980151
"110427"	303.054202	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+2Cl"	69.938804
"553158"	437.096602	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+2Cl"	69.938804
"1023781"	169.011802	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2Cl"	69.938804
"1249926"	347.003685	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Br"	78.918885
"1312373"	349.059672	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Cl+HCOOH"	80.974872
"1330966"	371.041629	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Cl+NaCOOH"	102.956829
"922024"	381.070386	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M-H+CF3COOH"	112.985586
"1297638"	417.047064	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Cl+CF3COOH"	148.962264
"1376892"	233.072124	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H-2H2O"	-35.012676
"1390014"	251.0821	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H-H2O"	-17.0027
"289699"	537.176876	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+H"	1.007276
"682121"	805.261676	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+H"	1.007276
"1360657"	269.092076	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H"	1.007276
"135734"	269.092076	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+2H"	2.014552
"572011"	403.134476	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+2H"	2.014552
"1044090"	135.049676	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2H"	2.014552
"213083"	179.730476	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+3H"	3.021828
"649364"	269.092076	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+3H"	3.021828
"1166759"	90.368876	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+3H"	3.021828
"429667"	554.203423	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+NH4"	18.033823
"796133"	822.288223	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+NH4"	18.033823
"1693558"	286.118623	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+NH4"	18.033823
"334181"	277.6053495	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+H+NH4"	19.041099
"732069"	411.6477495	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+H+NH4"	19.041099
"1482609"	143.5629495	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H+NH4"	19.041099
"396917"	559.158818	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+Na"	22.989218
"757181"	827.243618	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+Na"	22.989218
"1606372"	291.074018	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Na"	22.989218
"315436"	280.083047	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+H+Na"	23.996494
"710651"	414.125447	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+H+Na"	23.996494
"1462651"	146.040647	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H+Na"	23.996494
"1056621"	97.69619	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2H+Na"	25.00377
"1258299"	301.118286	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+CH3OH+H"	33.033486
"378340"	575.132758	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+K"	38.963158
"739044"	843.217558	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+K"	38.963158
"1542120"	307.047958	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+K"	38.963158
"306959"	288.070017	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+H+K"	39.970434
"700477"	422.112417	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+H+K"	39.970434
"1456485"	154.027617	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H+K"	39.970434
"241807"	578.203426	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+ACN+H"	42.033826
"1212330"	310.118626	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+ACN+H"	42.033826
"1196941"	155.562951	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+ACN+2H"	43.041102
"194552"	581.14076	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+2Na-H"	44.97116
"637396"	849.22556	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+2Na-H"	44.97116
"1139811"	313.05596	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2Na-H"	44.97116
"178727"	291.074018	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+2Na"	45.978436
"615734"	425.116418	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+2Na"	45.978436
"1122885"	157.031618	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2Na"	45.978436
"1400940"	105.023504	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H+2Na"	46.985712
"1431230"	315.097546	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H+HCOOH"	47.012746
"221655"	296.10704	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+3H2O+2H"	56.04448
"1509107"	329.14959	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+IsoProp+H"	61.06479
"411597"	299.060988	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+Na+K"	61.952376
"772597"	433.103388	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+Na+K"	61.952376
"1668923"	165.018588	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Na+K"	61.952376
"255444"	600.185368	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+ACN+Na"	64.015768
"1227421"	332.100568	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+ACN+Na"	64.015768
"1715214"	332.124093	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+NH4+HCOOH"	64.039293
"1182393"	112.350818	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+3Na"	68.967654
"1650298"	337.079488	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Na+HCOOH"	68.994688
"160607"	613.08864	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+2K-H"	76.91904
"597983"	881.17344	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+2K-H"	76.91904
"1086869"	345.00384	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2K-H"	76.91904
"143322"	307.047958	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"2M+2K"	77.926316
"583249"	441.090358	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"3M+2K"	77.926316
"1071768"	173.005558	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2K"	77.926316
"1102795"	347.018392	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2K+H"	78.933592
"1338089"	347.106007	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+DMSO+H"	79.021207
"1009901"	351.145176	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2ACN+H"	83.060376
"1535691"	352.138808	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+IsoProp+Na+H"	84.054008
"999953"	176.076226	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+2ACN+2H"	84.067652
"1599923"	353.053428	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+K+HCOOH"	84.968628
"1425582"	383.084938	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+H+CF3COOH"	115.000138
"1154779"	196.589501	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+3ACN+2H"	125.094202
"1705423"	400.111485	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+NH4+CF3COOH"	132.026685
"1637062"	405.06688	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+Na+CF3COOH"	136.98208
"1582191"	421.04082	"C16603"	"23-Dihydroxycarbamazepine"	"C15H12N2O3"	"268.0848"	"M+K+CF3COOH"	152.95602
"805995"	209.0841	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M"	0
"975274"	190.06571	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-H2O-H"	-19.01839
"63759"	138.382124	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M-3H"	-3.021828
"508421"	208.076824	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M-3H"	-3.021828
"886224"	68.687424	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-3H"	-3.021828
"8078"	208.076824	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M-2H"	-2.014552
"447640"	312.618874	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M-2H"	-2.014552
"819977"	103.534774	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-2H"	-2.014552
"82519"	417.160924	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M-H"	-1.007276
"523905"	626.245024	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M-H"	-1.007276
"898790"	208.076824	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-H"	-1.007276
"60822"	434.187471	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M-2H+NH4"	16.019271
"495642"	643.271571	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M-2H+NH4"	16.019271
"872351"	225.103371	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-2H+NH4"	16.019271
"40251"	439.142866	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M-2H+Na"	20.974666
"483822"	648.226966	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M-2H+Na"	20.974666
"854697"	230.058766	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-2H+Na"	20.974666
"1623864"	230.058766	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Na-2H"	20.974666
"97111"	226.065163	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M-H+Cl"	33.962126
"537766"	330.607213	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M-H+Cl"	33.962126
"931646"	121.523113	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-H+Cl"	33.962126
"272025"	453.137602	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+Cl"	34.969402
"667728"	662.221702	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+Cl"	34.969402
"1277942"	244.053502	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Cl"	34.969402
"17948"	455.116806	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M-2H+K"	36.948606
"458970"	664.200906	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M-2H+K"	36.948606
"833614"	246.032706	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-2H+K"	36.948606
"1556982"	246.032706	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+K-2H"	36.948606
"943396"	254.082294	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-H+HCOOH"	44.998194
"363082"	463.166401	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+HCOOH-H"	44.998201
"352435"	477.182051	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+Hac-H"	59.013851
"1502361"	268.097951	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Hac-H"	59.013851
"960058"	276.064251	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-H+NaCOOH"	66.980151
"110174"	244.053502	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+2Cl"	69.938804
"553997"	348.595552	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+2Cl"	69.938804
"1025347"	139.511452	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2Cl"	69.938804
"1245661"	288.002985	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Br"	78.918885
"1312483"	290.058972	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Cl+HCOOH"	80.974872
"1332535"	312.040929	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Cl+NaCOOH"	102.956829
"923227"	322.069686	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M-H+CF3COOH"	112.985586
"1299934"	358.046364	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Cl+CF3COOH"	148.962264
"1371534"	174.071424	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H-2H2O"	-35.012676
"1386843"	192.0814	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H-H2O"	-17.0027
"285799"	419.175476	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+H"	1.007276
"680043"	628.259576	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+H"	1.007276
"1356391"	210.091376	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H"	1.007276
"128551"	210.091376	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+2H"	2.014552
"568837"	314.633426	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+2H"	2.014552
"1039095"	105.549326	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2H"	2.014552
"211005"	140.396676	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+3H"	3.021828
"650563"	210.091376	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+3H"	3.021828
"1166501"	70.701976	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+3H"	3.021828
"429774"	436.202023	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+NH4"	18.033823
"797336"	645.286123	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+NH4"	18.033823
"1686013"	227.117923	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+NH4"	18.033823
"333197"	218.6046495	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+H+NH4"	19.041099
"728899"	323.1466995	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+H+NH4"	19.041099
"1483813"	114.0625995	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H+NH4"	19.041099
"395931"	441.157418	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+Na"	22.989218
"755834"	650.241518	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+Na"	22.989218
"1605025"	232.073318	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Na"	22.989218
"315422"	221.082347	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+H+Na"	23.996494
"708938"	325.624397	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+H+Na"	23.996494
"1461908"	116.540297	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H+Na"	23.996494
"1054179"	78.02929	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2H+Na"	25.00377
"1258894"	242.117586	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+CH3OH+H"	33.033486
"379897"	457.131358	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+K"	38.963158
"740169"	666.215458	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+K"	38.963158
"1540197"	248.047258	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+K"	38.963158
"307069"	229.069317	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+H+K"	39.970434
"700587"	333.611367	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+H+K"	39.970434
"1456595"	124.527267	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H+K"	39.970434
"245197"	460.202026	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+ACN+H"	42.033826
"1214627"	251.117926	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+ACN+H"	42.033826
"1197051"	126.062601	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+ACN+2H"	43.041102
"194662"	463.13936	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+2Na-H"	44.97116
"632035"	672.22346	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+2Na-H"	44.97116
"1141014"	254.05526	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2Na-H"	44.97116
"177743"	232.073318	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+2Na"	45.978436
"621676"	336.615368	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+2Na"	45.978436
"1122995"	127.531268	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2Na"	45.978436
"1401778"	85.356604	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H+2Na"	46.985712
"1432071"	256.096846	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H+HCOOH"	47.012746
"221767"	237.10634	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+3H2O+2H"	56.04448
"1509218"	270.14889	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+IsoProp+H"	61.06479
"412806"	240.060288	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+Na+K"	61.952376
"775988"	344.602338	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+Na+K"	61.952376
"1669033"	135.518238	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Na+K"	61.952376
"254097"	482.183968	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+ACN+Na"	64.015768
"1228993"	273.099868	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+ACN+Na"	64.015768
"1716424"	273.123393	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+NH4+HCOOH"	64.039293
"1180686"	92.683918	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+3Na"	68.967654
"1653494"	278.078788	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Na+HCOOH"	68.994688
"159623"	495.08724	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+2K-H"	76.91904
"601009"	704.17134	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+2K-H"	76.91904
"1084548"	286.00314	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2K-H"	76.91904
"143432"	248.047258	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"2M+2K"	77.926316
"582995"	352.589308	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"3M+2K"	77.926316
"1071878"	143.505208	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2K"	77.926316
"1103998"	288.017692	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2K+H"	78.933592
"1340386"	288.105307	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+DMSO+H"	79.021207
"1011104"	292.144476	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2ACN+H"	83.060376
"1538960"	293.138108	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+IsoProp+Na+H"	84.054008
"1001157"	146.575876	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+2ACN+2H"	84.067652
"1600034"	294.052728	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+K+HCOOH"	84.968628
"1424599"	324.084238	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+H+CF3COOH"	115.000138
"1161448"	167.089151	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+3ACN+2H"	125.094202
"1705533"	341.110785	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+NH4+CF3COOH"	132.026685
"1638995"	346.06618	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+Na+CF3COOH"	136.98208
"1582301"	362.04012	"C16604"	"2-Hydroxyiminostilbene"	"C14H11NO"	"209.0841"	"M+K+CF3COOH"	152.95602
"809387"	207.0684	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M"	0
"985107"	188.05001	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-H2O-H"	-19.01839
"75535"	137.038324	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M-3H"	-3.021828
"510721"	206.061124	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M-3H"	-3.021828
"886335"	68.015524	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-3H"	-3.021828
"7096"	206.061124	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M-2H"	-2.014552
"447750"	309.595324	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M-2H"	-2.014552
"830782"	102.526924	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-2H"	-2.014552
"88828"	413.129524	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M-H"	-1.007276
"524015"	620.197924	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M-H"	-1.007276
"900721"	206.061124	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-H"	-1.007276
"56192"	430.156071	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M-2H+NH4"	16.019271
"496845"	637.224471	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M-2H+NH4"	16.019271
"872461"	223.087671	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-2H+NH4"	16.019271
"43641"	435.111466	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M-2H+Na"	20.974666
"484298"	642.179866	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M-2H+Na"	20.974666
"857723"	228.043066	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-2H+Na"	20.974666
"1625070"	228.043066	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Na-2H"	20.974666
"101596"	224.049463	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M-H+Cl"	33.962126
"540063"	327.583663	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M-H+Cl"	33.962126
"931028"	120.515263	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-H+Cl"	33.962126
"273228"	449.106202	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+Cl"	34.969402
"666744"	656.174602	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+Cl"	34.969402
"1278053"	242.037802	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Cl"	34.969402
"23895"	451.085406	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M-2H+K"	36.948606
"463455"	658.153806	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M-2H+K"	36.948606
"835790"	244.017006	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-2H+K"	36.948606
"1558185"	244.017006	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+K-2H"	36.948606
"944976"	252.066594	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-H+HCOOH"	44.998194
"365379"	459.135001	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+HCOOH-H"	44.998201
"354733"	473.150651	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+Hac-H"	59.013851
"1499192"	266.082251	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Hac-H"	59.013851
"966729"	274.048551	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-H+NaCOOH"	66.980151
"110567"	242.037802	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+2Cl"	69.938804
"556293"	345.572002	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+2Cl"	69.938804
"1025458"	138.503602	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2Cl"	69.938804
"1252333"	285.987285	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Br"	78.918885
"1312593"	288.043272	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Cl+HCOOH"	80.974872
"1332281"	310.025229	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Cl+NaCOOH"	102.956829
"924067"	320.053986	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M-H+CF3COOH"	112.985586
"1300044"	356.030664	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Cl+CF3COOH"	148.962264
"1381855"	172.055724	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H-2H2O"	-35.012676
"1394608"	190.0657	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H-H2O"	-17.0027
"288825"	415.144076	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+H"	1.007276
"685621"	622.212476	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+H"	1.007276
"1354679"	208.075676	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H"	1.007276
"134859"	208.075676	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+2H"	2.014552
"572230"	311.609876	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+2H"	2.014552
"1042122"	104.541476	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2H"	2.014552
"212206"	139.052876	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+3H"	3.021828
"650674"	208.075676	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+3H"	3.021828
"1170985"	70.030076	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+3H"	3.021828
"430980"	432.170623	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+NH4"	18.033823
"795262"	639.239023	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+NH4"	18.033823
"1687581"	225.102223	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+NH4"	18.033823
"334764"	216.5889495	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+H+NH4"	19.041099
"727915"	320.1231495	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+H+NH4"	19.041099
"1485016"	113.0547495	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H+NH4"	19.041099
"397135"	437.126018	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+Na"	22.989218
"756307"	644.194418	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+Na"	22.989218
"1605498"	230.057618	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Na"	22.989218
"316262"	219.066647	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+H+Na"	23.996494
"709414"	322.600847	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+H+Na"	23.996494
"1463232"	115.532447	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H+Na"	23.996494
"1055018"	77.35739	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2H+Na"	25.00377
"1260342"	240.101886	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+CH3OH+H"	33.033486
"381104"	453.099958	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+K"	38.963158
"741007"	660.168358	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+K"	38.963158
"1539994"	246.031558	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+K"	38.963158
"307179"	227.053617	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+H+K"	39.970434
"702883"	330.587817	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+H+K"	39.970434
"1455611"	123.519417	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H+K"	39.970434
"244214"	456.170626	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+ACN+H"	42.033826
"1212550"	249.102226	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+ACN+H"	42.033826
"1195337"	125.054751	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+ACN+2H"	43.041102
"194772"	459.10796	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+2Na-H"	44.97116
"642963"	666.17636	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+2Na-H"	44.97116
"1134561"	252.03956	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2Na-H"	44.97116
"175300"	230.057618	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+2Na"	45.978436
"614857"	333.591818	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+2Na"	45.978436
"1118728"	126.523418	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2Na"	45.978436
"1400434"	84.684704	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H+2Na"	46.985712
"1431816"	254.081146	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H+HCOOH"	47.012746
"221876"	235.09064	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+3H2O+2H"	56.04448
"1510668"	268.13319	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+IsoProp+H"	61.06479
"412915"	238.044588	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+Na+K"	61.952376
"773176"	341.578788	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+Na+K"	61.952376
"1668779"	134.510388	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Na+K"	61.952376
"254575"	478.152568	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+ACN+Na"	64.015768
"1230566"	271.084168	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+ACN+Na"	64.015768
"1715805"	271.107693	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+NH4+HCOOH"	64.039293
"1181528"	92.012018	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+3Na"	68.967654
"1654699"	276.063088	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Na+HCOOH"	68.994688
"165934"	491.05584	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+2K-H"	76.91904
"598933"	698.12424	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+2K-H"	76.91904
"1096570"	283.98744	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2K-H"	76.91904
"147918"	246.031558	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"2M+2K"	77.926316
"587480"	349.565758	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"3M+2K"	77.926316
"1071992"	142.497358	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2K"	77.926316
"1104113"	286.001992	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2K+H"	78.933592
"1336728"	286.089607	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+DMSO+H"	79.021207
"1012312"	290.128776	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2ACN+H"	83.060376
"1539070"	291.122408	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+IsoProp+Na+H"	84.054008
"1004547"	145.568026	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+2ACN+2H"	84.067652
"1597956"	292.037028	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+K+HCOOH"	84.968628
"1421430"	322.068538	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+H+CF3COOH"	115.000138
"1156091"	166.081301	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+3ACN+2H"	125.094202
"1711109"	339.095085	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+NH4+CF3COOH"	132.026685
"1641292"	344.05048	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+Na+CF3COOH"	136.98208
"1582411"	360.02442	"C16605"	"2H-Dibenzbfazepin-2-one"	"C14H9NO"	"207.0684"	"M+K+CF3COOH"	152.95602
"811685"	266.0691	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M"	0
"977562"	247.05071	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-H2O-H"	-19.01839
"65804"	176.372124	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M-3H"	-3.021828
"507550"	265.061824	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M-3H"	-3.021828
"886446"	87.682424	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-3H"	-3.021828
"6113"	265.061824	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M-2H"	-2.014552
"445674"	398.096374	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M-2H"	-2.014552
"822381"	132.027274	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-2H"	-2.014552
"82739"	531.130924	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M-H"	-1.007276
"524125"	797.200024	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M-H"	-1.007276
"901925"	265.061824	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-H"	-1.007276
"56302"	548.157471	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M-2H+NH4"	16.019271
"493674"	814.226571	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M-2H+NH4"	16.019271
"870745"	282.088371	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-2H+NH4"	16.019271
"40471"	553.112866	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M-2H+Na"	20.974666
"484407"	819.181966	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M-2H+Na"	20.974666
"857833"	287.043766	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-2H+Na"	20.974666
"1626273"	287.043766	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Na-2H"	20.974666
"97332"	283.050163	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M-H+Cl"	33.962126
"536163"	416.084713	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M-H+Cl"	33.962126
"930043"	150.015613	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-H+Cl"	33.962126
"270422"	567.107602	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+Cl"	34.969402
"662844"	833.176702	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+Cl"	34.969402
"1280349"	301.038502	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Cl"	34.969402
"25098"	569.086806	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M-2H+K"	36.948606
"463565"	835.155906	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M-2H+K"	36.948606
"839181"	303.017706	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-2H+K"	36.948606
"1559390"	303.017706	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+K-2H"	36.948606
"945086"	311.067294	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-H+HCOOH"	44.998194
"365489"	577.136401	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+HCOOH-H"	44.998201
"355935"	591.152051	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+Hac-H"	59.013851
"1500759"	325.082951	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Hac-H"	59.013851
"966839"	333.049251	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-H+NaCOOH"	66.980151
"110396"	301.038502	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+2Cl"	69.938804
"552148"	434.073052	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+2Cl"	69.938804
"1024106"	168.003952	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2Cl"	69.938804
"1251351"	344.987985	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Br"	78.918885
"1318170"	347.043972	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Cl+HCOOH"	80.974872
"1332755"	369.025929	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Cl+NaCOOH"	102.956829
"923447"	379.054686	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M-H+CF3COOH"	112.985586
"1300154"	415.031364	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Cl+CF3COOH"	148.962264
"1382086"	231.056424	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H-2H2O"	-35.012676
"1392531"	249.0664	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H-H2O"	-17.0027
"288935"	533.145476	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+H"	1.007276
"682451"	799.214576	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+H"	1.007276
"1355153"	267.076376	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H"	1.007276
"134969"	267.076376	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+2H"	2.014552
"571247"	400.110926	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+2H"	2.014552
"1043326"	134.041826	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2H"	2.014552
"210131"	178.386676	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+3H"	3.021828
"651879"	267.076376	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+3H"	3.021828
"1170002"	89.696976	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+3H"	3.021828
"431088"	550.172023	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+NH4"	18.033823
"795371"	816.241123	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+NH4"	18.033823
"1686233"	284.102923	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+NH4"	18.033823
"334871"	275.5896495	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+H+NH4"	19.041099
"726932"	408.6241995	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+H+NH4"	19.041099
"1484033"	142.5550995	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H+NH4"	19.041099
"396878"	555.127418	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+Na"	22.989218
"756780"	821.196518	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+Na"	22.989218
"1605486"	289.058318	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Na"	22.989218
"317100"	278.067347	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+H+Na"	23.996494
"709522"	411.101897	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+H+Na"	23.996494
"1463342"	145.032797	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H+Na"	23.996494
"1056224"	97.02429	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2H+Na"	25.00377
"1259359"	299.102586	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+CH3OH+H"	33.033486
"379028"	571.101358	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+K"	38.963158
"741117"	837.170458	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+K"	38.963158
"1540984"	305.032258	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+K"	38.963158
"299630"	286.054317	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+H+K"	39.970434
"693147"	419.088867	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+H+K"	39.970434
"1448794"	153.019767	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H+K"	39.970434
"242137"	574.172026	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+ACN+H"	42.033826
"1215939"	308.102926	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+ACN+H"	42.033826
"1196904"	154.555101	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+ACN+2H"	43.041102
"194882"	577.10936	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+2Na-H"	44.97116
"643194"	843.17846	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+2Na-H"	44.97116
"1136127"	311.04026	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2Na-H"	44.97116
"176504"	289.058318	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+2Na"	45.978436
"615332"	422.092868	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+2Na"	45.978436
"1119933"	156.023768	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2Na"	45.978436
"1402727"	104.351604	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H+2Na"	46.985712
"1433749"	313.081846	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H+HCOOH"	47.012746
"223810"	294.09134	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+3H2O+2H"	56.04448
"1511508"	327.13389	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+IsoProp+H"	61.06479
"414482"	297.045288	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+Na+K"	61.952376
"771827"	430.079838	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+Na+K"	61.952376
"1669252"	164.010738	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Na+K"	61.952376
"255778"	596.153968	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+ACN+Na"	64.015768
"1231769"	330.084868	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+ACN+Na"	64.015768
"1716281"	330.108393	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+NH4+HCOOH"	64.039293
"1182731"	111.678918	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+3Na"	68.967654
"1654809"	335.063788	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Na+HCOOH"	68.994688
"164951"	609.05724	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+2K-H"	76.91904
"599164"	875.12634	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+2K-H"	76.91904
"1094493"	342.98814	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2K-H"	76.91904
"146935"	305.032258	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"2M+2K"	77.926316
"584307"	438.066808	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"3M+2K"	77.926316
"1073195"	171.997708	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2K"	77.926316
"1104215"	345.002692	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2K+H"	78.933592
"1337447"	345.090307	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+DMSO+H"	79.021207
"1015704"	349.129476	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2ACN+H"	83.060376
"1537115"	350.123108	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+IsoProp+Na+H"	84.054008
"1001376"	175.068376	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+2ACN+2H"	84.067652
"1600254"	351.037728	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+K+HCOOH"	84.968628
"1419353"	381.069238	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+H+CF3COOH"	115.000138
"1155108"	195.581651	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+3ACN+2H"	125.094202
"1705753"	398.095785	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+NH4+CF3COOH"	132.026685
"1639215"	403.05118	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+Na+CF3COOH"	136.98208
"1582521"	419.02512	"C16606"	"Carbamazepine-o-quinone"	"C15H10N2O3"	"266.0691"	"M+K+CF3COOH"	152.95602
"806325"	340.1587	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M"	0
"975483"	321.14031	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-H2O-H"	-19.01839
"64209"	225.765190666667	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M-3H"	-3.021828
"503323"	339.151424	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M-3H"	-3.021828
"882180"	112.378957333333	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-3H"	-3.021828
"7316"	339.151424	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M-2H"	-2.014552
"444691"	509.230774	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M-2H"	-2.014552
"820304"	169.072074	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-2H"	-2.014552
"81756"	679.310124	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M-H"	-1.007276
"525328"	1019.468824	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M-H"	-1.007276
"898388"	339.151424	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-H"	-1.007276
"56412"	696.336671	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M-2H+NH4"	16.019271
"493784"	1036.495371	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M-2H+NH4"	16.019271
"867938"	356.177971	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-2H+NH4"	16.019271
"39488"	701.292066	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M-2H+Na"	20.974666
"481235"	1041.450766	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M-2H+Na"	20.974666
"857943"	361.133366	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-2H+Na"	20.974666
"1626383"	361.133366	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Na-2H"	20.974666
"96349"	357.139763	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M-H+Cl"	33.962126
"535058"	527.219113	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M-H+Cl"	33.962126
"927600"	187.060413	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-H+Cl"	33.962126
"269803"	715.286802	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+Cl"	34.969402
"661861"	1055.445502	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+Cl"	34.969402
"1278272"	375.128102	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Cl"	34.969402
"27395"	717.266006	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M-2H+K"	36.948606
"470238"	1057.424706	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M-2H+K"	36.948606
"841478"	377.107306	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-2H+K"	36.948606
"1559499"	377.107306	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+K-2H"	36.948606
"945196"	385.156894	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-H+HCOOH"	44.998194
"366692"	725.315601	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+HCOOH-H"	44.998201
"357140"	739.331251	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+Hac-H"	59.013851
"1500506"	399.172551	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Hac-H"	59.013851
"965857"	407.138851	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-H+NaCOOH"	66.980151
"116950"	375.128102	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+2Cl"	69.938804
"554324"	545.207452	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+2Cl"	69.938804
"1024216"	205.048752	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2Cl"	69.938804
"1254374"	419.077585	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Br"	78.918885
"1311718"	421.133572	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Cl+HCOOH"	80.974872
"1330310"	443.115529	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Cl+NaCOOH"	102.956829
"924286"	453.144286	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M-H+CF3COOH"	112.985586
"1300264"	489.120964	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Cl+CF3COOH"	148.962264
"1379519"	305.146024	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H-2H2O"	-35.012676
"1391547"	323.156	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H-H2O"	-17.0027
"285765"	681.324676	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+H"	1.007276
"682561"	1021.483376	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+H"	1.007276
"1353442"	341.165976	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H"	1.007276
"136173"	341.165976	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+2H"	2.014552
"571357"	511.245326	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+2H"	2.014552
"1040156"	171.086626	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2H"	2.014552
"211335"	227.779742666667	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+3H"	3.021828
"651989"	341.165976	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+3H"	3.021828
"1171204"	114.393509333333	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+3H"	3.021828
"430104"	698.351223	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+NH4"	18.033823
"793295"	1038.509923	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+NH4"	18.033823
"1686344"	358.192523	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+NH4"	18.033823
"333525"	349.6792495	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+H+NH4"	19.041099
"725946"	519.7585995	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+H+NH4"	19.041099
"1478674"	179.5998995	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H+NH4"	19.041099
"394801"	703.306618	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+Na"	22.989218
"755798"	1043.465318	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+Na"	22.989218
"1603533"	363.147918	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Na"	22.989218
"315874"	352.156947	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+H+Na"	23.996494
"708539"	522.236297	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+H+Na"	23.996494
"1461873"	182.077597	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H+Na"	23.996494
"1053783"	121.720823333333	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2H+Na"	25.00377
"1257401"	373.192186	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+CH3OH+H"	33.033486
"378409"	719.280558	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+K"	38.963158
"740133"	1059.439258	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+K"	38.963158
"1540201"	379.121858	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+K"	38.963158
"299131"	360.143917	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+H+K"	39.970434
"693257"	530.223267	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+H+K"	39.970434
"1450363"	190.064567	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H+K"	39.970434
"242245"	722.351226	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+ACN+H"	42.033826
"1211310"	382.192526	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+ACN+H"	42.033826
"1196651"	191.599901	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+ACN+2H"	43.041102
"190980"	725.28856	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+2Na-H"	44.97116
"643062"	1065.44726	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+2Na-H"	44.97116
"1136968"	385.12986	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2Na-H"	44.97116
"174791"	363.147918	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+2Na"	45.978436
"616174"	533.227268	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+2Na"	45.978436
"1117856"	193.068568	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2Na"	45.978436
"1401379"	129.048137333333	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H+2Na"	46.985712
"1431307"	387.171446	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H+HCOOH"	47.012746
"223556"	368.18094	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+3H2O+2H"	56.04448
"1509550"	401.22349	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+IsoProp+H"	61.06479
"414228"	371.134888	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+Na+K"	61.952376
"771938"	541.214238	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+Na+K"	61.952376
"1668267"	201.055538	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Na+K"	61.952376
"255888"	744.333168	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+ACN+Na"	64.015768
"1231879"	404.174468	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+ACN+Na"	64.015768
"1717484"	404.197993	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+NH4+HCOOH"	64.039293
"1186121"	136.375451333333	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+3Na"	68.967654
"1656012"	409.153388	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Na+HCOOH"	68.994688
"165061"	757.23644	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+2K-H"	76.91904
"600246"	1097.39514	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+2K-H"	76.91904
"1096790"	417.07774	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2K-H"	76.91904
"149232"	379.121858	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"2M+2K"	77.926316
"585511"	549.201208	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"3M+2K"	77.926316
"1072212"	209.042508	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2K"	77.926316
"1104325"	419.092292	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2K+H"	78.933592
"1341810"	419.179907	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+DMSO+H"	79.021207
"1016907"	423.219076	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2ACN+H"	83.060376
"1535038"	424.212708	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+IsoProp+Na+H"	84.054008
"999299"	212.113176	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+2ACN+2H"	84.067652
"1598180"	425.127328	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+K+HCOOH"	84.968628
"1420556"	455.158838	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+H+CF3COOH"	115.000138
"1155217"	232.626451	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+3ACN+2H"	125.094202
"1706956"	472.185385	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+NH4+CF3COOH"	132.026685
"1639325"	477.14078	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+Na+CF3COOH"	136.98208
"1585911"	493.11472	"C16607"	"Citalopram N-oxide"	"C20H21FN2O2"	"340.1587"	"M+K+CF3COOH"	152.95602
"803155"	310.1481	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M"	0
"974621"	291.12971	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-H2O-H"	-19.01839
"66021"	205.758124	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M-3H"	-3.021828
"503394"	309.140824	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M-3H"	-3.021828
"889945"	102.375424	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-3H"	-3.021828
"4147"	309.140824	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M-2H"	-2.014552
"445894"	464.214874	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M-2H"	-2.014552
"821508"	154.066774	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-2H"	-2.014552
"83687"	619.288924	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M-H"	-1.007276
"521425"	929.437024	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M-H"	-1.007276
"897403"	309.140824	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-H"	-1.007276
"49959"	636.315471	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M-2H+NH4"	16.019271
"489517"	946.463571	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M-2H+NH4"	16.019271
"868777"	326.167371	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-2H+NH4"	16.019271
"36680"	641.270866	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M-2H+Na"	20.974666
"476971"	951.418966	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M-2H+Na"	20.974666
"858053"	331.122766	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-2H+Na"	20.974666
"1629775"	331.122766	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Na-2H"	20.974666
"95732"	327.129163	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M-H+Cl"	33.962126
"541490"	482.203213	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M-H+Cl"	33.962126
"927713"	172.055113	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-H+Cl"	33.962126
"268940"	655.265602	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+Cl"	34.969402
"663794"	965.413702	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+Cl"	34.969402
"1275830"	345.117502	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Cl"	34.969402
"24225"	657.244806	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M-2H+K"	36.948606
"470347"	967.392906	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M-2H+K"	36.948606
"845961"	347.096706	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-2H+K"	36.948606
"1559609"	347.096706	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+K-2H"	36.948606
"946399"	355.146294	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-H+HCOOH"	44.998194
"366802"	665.294401	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+HCOOH-H"	44.998201
"353969"	679.310051	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+Hac-H"	59.013851
"1499523"	369.161951	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Hac-H"	59.013851
"967060"	377.128251	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-H+NaCOOH"	66.980151
"115967"	345.117502	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+2Cl"	69.938804
"555528"	500.191552	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+2Cl"	69.938804
"1025419"	190.043452	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2Cl"	69.938804
"1251567"	389.066985	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Br"	78.918885
"1311828"	391.122972	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Cl+HCOOH"	80.974872
"1326045"	413.104929	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Cl+NaCOOH"	102.956829
"917103"	423.133686	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M-H+CF3COOH"	112.985586
"1299280"	459.110364	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Cl+CF3COOH"	148.962264
"1379629"	275.135424	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H-2H2O"	-35.012676
"1388376"	293.1454	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H-H2O"	-17.0027
"286969"	621.303476	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+H"	1.007276
"688139"	931.451576	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+H"	1.007276
"1364487"	311.155376	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H"	1.007276
"136283"	311.155376	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+2H"	2.014552
"573655"	466.229426	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+2H"	2.014552
"1046828"	156.081326	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2H"	2.014552
"212540"	207.772676	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+3H"	3.021828
"653194"	311.155376	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+3H"	3.021828
"1168037"	104.389976	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+3H"	3.021828
"431310"	638.330023	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+NH4"	18.033823
"790125"	948.478123	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+NH4"	18.033823
"1685360"	328.181923	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+NH4"	18.033823
"336914"	319.6686495	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+H+NH4"	19.041099
"727879"	474.7426995	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+H+NH4"	19.041099
"1482065"	164.5945995	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H+NH4"	19.041099
"396006"	643.285418	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+Na"	22.989218
"757367"	953.433518	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+Na"	22.989218
"1605100"	333.137318	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Na"	22.989218
"315380"	322.146347	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+H+Na"	23.996494
"709013"	477.220397	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+H+Na"	23.996494
"1463439"	167.072297	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H+Na"	23.996494
"1054014"	111.71729	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2H+Na"	25.00377
"1258124"	343.181586	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+CH3OH+H"	33.033486
"378155"	659.259358	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+K"	38.963158
"739891"	969.407458	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+K"	38.963158
"1540355"	349.111258	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+K"	38.963158
"310427"	330.133317	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+H+K"	39.970434
"702119"	485.207367	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+H+K"	39.970434
"1453751"	175.059267	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H+K"	39.970434
"245635"	662.330026	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+ACN+H"	42.033826
"1212513"	352.181926	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+ACN+H"	42.033826
"1196030"	176.594601	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+ACN+2H"	43.041102
"198382"	665.26736	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+2Na-H"	44.97116
"632481"	975.41546	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+2Na-H"	44.97116
"1138174"	355.11926	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2Na-H"	44.97116
"175998"	333.137318	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+2Na"	45.978436
"615922"	488.211368	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+2Na"	45.978436
"1116879"	178.063268	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2Na"	45.978436
"1398660"	119.044604	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H+2Na"	46.985712
"1430322"	357.160846	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H+HCOOH"	47.012746
"220501"	338.17034	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+3H2O+2H"	56.04448
"1508926"	371.21289	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+IsoProp+H"	61.06479
"414338"	341.124288	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+Na+K"	61.952376
"770344"	496.198338	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+Na+K"	61.952376
"1667286"	186.050238	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Na+K"	61.952376
"253812"	684.311968	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+ACN+Na"	64.015768
"1231989"	374.163868	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+ACN+Na"	64.015768
"1715408"	374.187393	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+NH4+HCOOH"	64.039293
"1185139"	126.371918	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+3Na"	68.967654
"1656122"	379.142788	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Na+HCOOH"	68.994688
"163349"	697.21524	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+2K-H"	76.91904
"601450"	1007.36334	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+2K-H"	76.91904
"1095807"	387.06714	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2K-H"	76.91904
"152622"	349.111258	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"2M+2K"	77.926316
"586714"	504.185308	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"3M+2K"	77.926316
"1073416"	194.037208	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2K"	77.926316
"1106625"	389.081692	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2K+H"	78.933592
"1344105"	389.169307	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+DMSO+H"	79.021207
"1009360"	393.208476	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2ACN+H"	83.060376
"1539158"	394.202108	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+IsoProp+Na+H"	84.054008
"1004756"	197.107876	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+2ACN+2H"	84.067652
"1600473"	395.116728	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+K+HCOOH"	84.968628
"1421759"	425.148238	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+H+CF3COOH"	115.000138
"1154234"	217.621151	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+3ACN+2H"	125.094202
"1707066"	442.174785	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+NH4+CF3COOH"	132.026685
"1638341"	447.13018	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+Na+CF3COOH"	136.98208
"1586021"	463.10412	"C16608"	"Demethylcitalopram"	"C19H19FN2O"	"310.1481"	"M+K+CF3COOH"	152.95602
"803265"	296.1325	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M"	0
"975701"	277.11411	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-H2O-H"	-19.01839
"65400"	196.414390666667	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M-3H"	-3.021828
"503108"	295.125224	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M-3H"	-3.021828
"882400"	97.7035573333333	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-3H"	-3.021828
"5350"	295.125224	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M-2H"	-2.014552
"446003"	443.191474	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M-2H"	-2.014552
"817608"	147.058974	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-2H"	-2.014552
"81245"	591.257724	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M-H"	-1.007276
"519468"	887.390224	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M-H"	-1.007276
"896415"	295.125224	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-H"	-1.007276
"50433"	608.284271	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M-2H+NH4"	16.019271
"489262"	904.416771	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M-2H+NH4"	16.019271
"868887"	312.151771	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-2H+NH4"	16.019271
"36061"	613.239666	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M-2H+Na"	20.974666
"476716"	909.372166	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M-2H+Na"	20.974666
"854883"	317.107166	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-2H+Na"	20.974666
"1628792"	317.107166	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Na-2H"	20.974666
"95478"	313.113563	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M-H+Cl"	33.962126
"540507"	461.179813	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M-H+Cl"	33.962126
"929647"	165.047313	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-H+Cl"	33.962126
"268928"	627.234402	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+Cl"	34.969402
"661717"	923.366902	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+Cl"	34.969402
"1275210"	331.101902	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Cl"	34.969402
"24335"	629.213606	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M-2H+K"	36.948606
"469364"	925.346106	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M-2H+K"	36.948606
"839510"	333.081106	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-2H+K"	36.948606
"1560812"	333.081106	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+K-2H"	36.948606
"946509"	341.130694	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-H+HCOOH"	44.998194
"366912"	637.263201	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+HCOOH-H"	44.998201
"352986"	651.278851	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+Hac-H"	59.013851
"1501818"	355.146351	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Hac-H"	59.013851
"967170"	363.112651	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-H+NaCOOH"	66.980151
"116077"	331.101902	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+2Cl"	69.938804
"555638"	479.168152	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+2Cl"	69.938804
"1025529"	183.035652	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2Cl"	69.938804
"1251677"	375.051385	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Br"	78.918885
"1311938"	377.107372	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Cl+HCOOH"	80.974872
"1326155"	399.089329	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Cl+NaCOOH"	102.956829
"917213"	409.118086	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M-H+CF3COOH"	112.985586
"1297933"	445.094764	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Cl+CF3COOH"	148.962264
"1370990"	261.119824	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H-2H2O"	-35.012676
"1388486"	279.1298	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H-H2O"	-17.0027
"288172"	593.272276	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+H"	1.007276
"687521"	889.404776	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+H"	1.007276
"1363505"	297.139776	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H"	1.007276
"132019"	297.139776	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+2H"	2.014552
"572671"	445.206026	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+2H"	2.014552
"1042564"	149.073526	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2H"	2.014552
"209370"	198.428942666667	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+3H"	3.021828
"651117"	297.139776	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+3H"	3.021828
"1171428"	99.7181093333333	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+3H"	3.021828
"432513"	610.298823	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+NH4"	18.033823
"791327"	906.431323	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+NH4"	18.033823
"1686563"	314.166323	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+NH4"	18.033823
"336295"	305.6530495	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+H+NH4"	19.041099
"728356"	453.7192995	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+H+NH4"	19.041099
"1481446"	157.5867995	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H+NH4"	19.041099
"397577"	615.254218	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+Na"	22.989218
"756384"	911.386718	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+Na"	22.989218
"1607763"	319.121718	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Na"	22.989218
"317070"	308.130747	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+H+Na"	23.996494
"708884"	456.196997	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+H+Na"	23.996494
"1462582"	160.064497	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H+Na"	23.996494
"1054008"	107.045423333333	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2H+Na"	25.00377
"1258966"	329.165986	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+CH3OH+H"	33.033486
"377901"	631.228158	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+K"	38.963158
"739879"	927.360658	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+K"	38.963158
"1540469"	335.095658	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+K"	38.963158
"306529"	316.117717	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+H+K"	39.970434
"698950"	464.183967	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+H+K"	39.970434
"1450581"	168.051467	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H+K"	39.970434
"244652"	634.298826	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+ACN+H"	42.033826
"1213351"	338.166326	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+ACN+H"	42.033826
"1195410"	169.586801	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+ACN+2H"	43.041102
"192294"	637.23616	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+2Na-H"	44.97116
"638057"	933.36866	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+2Na-H"	44.97116
"1137191"	341.10366	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2Na-H"	44.97116
"177200"	319.121718	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+2Na"	45.978436
"615300"	467.187968	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+2Na"	45.978436
"1117717"	171.055468	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2Na"	45.978436
"1399297"	114.372737333333	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H+2Na"	46.985712
"1430107"	343.145246	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H+HCOOH"	47.012746
"220730"	324.15474	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+3H2O+2H"	56.04448
"1508631"	357.19729	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+IsoProp+H"	61.06479
"411896"	327.108688	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+Na+K"	61.952376
"770006"	475.174938	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+Na+K"	61.952376
"1667394"	179.042438	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Na+K"	61.952376
"255015"	656.280768	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+ACN+Na"	64.015768
"1228085"	360.148268	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+ACN+Na"	64.015768
"1713695"	360.171793	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+NH4+HCOOH"	64.039293
"1185613"	121.700051333333	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+3Na"	68.967654
"1651859"	365.127188	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Na+HCOOH"	68.994688
"162000"	669.18404	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+2K-H"	76.91904
"601560"	965.31654	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+2K-H"	76.91904
"1097010"	373.05154	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2K-H"	76.91904
"149452"	335.095658	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"2M+2K"	77.926316
"584637"	483.161908	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"3M+2K"	77.926316
"1072433"	187.029408	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2K"	77.926316
"1106735"	375.066092	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2K+H"	78.933592
"1340935"	375.153707	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+DMSO+H"	79.021207
"1010564"	379.192876	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2ACN+H"	83.060376
"1539389"	380.186508	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+IsoProp+Na+H"	84.054008
"1005354"	190.100076	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+2ACN+2H"	84.067652
"1602406"	381.101128	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+K+HCOOH"	84.968628
"1424056"	411.132638	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+H+CF3COOH"	115.000138
"1154344"	210.613351	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+3ACN+2H"	125.094202
"1706083"	428.159185	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+NH4+CF3COOH"	132.026685
"1639545"	433.11458	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+Na+CF3COOH"	136.98208
"1586131"	449.08852	"C16609"	"Didemethylcitalopram"	"C18H17FN2O"	"296.1325"	"M+K+CF3COOH"	152.95602
"803739"	311.0958	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M"	0
"976054"	292.07741	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-H2O-H"	-19.01839
"67332"	206.389924	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M-3H"	-3.021828
"515641"	310.088524	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M-3H"	-3.021828
"885789"	102.691324	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-3H"	-3.021828
"4364"	310.088524	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M-2H"	-2.014552
"448300"	465.636424	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M-2H"	-2.014552
"820634"	154.540624	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-2H"	-2.014552
"82812"	621.184324	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M-H"	-1.007276
"521277"	932.280124	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M-H"	-1.007276
"899081"	310.088524	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-H"	-1.007276
"52729"	638.210871	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M-2H+NH4"	16.019271
"494115"	949.306671	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M-2H+NH4"	16.019271
"871917"	327.115071	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-2H+NH4"	16.019271
"44193"	643.166266	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M-2H+Na"	20.974666
"477555"	954.262066	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M-2H+Na"	20.974666
"860464"	332.070466	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-2H+Na"	20.974666
"1632182"	332.070466	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Na-2H"	20.974666
"105433"	328.076863	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M-H+Cl"	33.962126
"546085"	483.624763	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M-H+Cl"	33.962126
"938506"	172.528963	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-H+Cl"	33.962126
"268313"	657.161002	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+Cl"	34.969402
"661099"	968.256802	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+Cl"	34.969402
"1280793"	346.065202	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Cl"	34.969402
"27725"	659.140206	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M-2H+K"	36.948606
"465100"	970.236006	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M-2H+K"	36.948606
"842901"	348.044406	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-2H+K"	36.948606
"1559829"	348.044406	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+K-2H"	36.948606
"946620"	356.093994	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-H+HCOOH"	44.998194
"368115"	667.189801	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+HCOOH-H"	44.998201
"349817"	681.205451	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+Hac-H"	59.013851
"1498646"	370.109651	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Hac-H"	59.013851
"962907"	378.075951	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-H+NaCOOH"	66.980151
"116187"	346.065202	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+2Cl"	69.938804
"554655"	501.613102	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+2Cl"	69.938804
"1027826"	190.517302	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2Cl"	69.938804
"1252880"	390.014685	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Br"	78.918885
"1313141"	392.070672	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Cl+HCOOH"	80.974872
"1326265"	414.052629	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Cl+NaCOOH"	102.956829
"923523"	424.081386	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M-H+CF3COOH"	112.985586
"1298407"	460.058064	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Cl+CF3COOH"	148.962264
"1381309"	276.083124	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H-2H2O"	-35.012676
"1396621"	294.0931	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H-H2O"	-17.0027
"296674"	623.198876	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+H"	1.007276
"690551"	934.294676	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+H"	1.007276
"1364343"	312.103076	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H"	1.007276
"130308"	312.103076	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+2H"	2.014552
"569502"	467.650976	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+2H"	2.014552
"1042309"	156.555176	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2H"	2.014552
"211667"	208.404476	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+3H"	3.021828
"651227"	312.103076	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+3H"	3.021828
"1168987"	104.705876	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+3H"	3.021828
"434811"	640.225423	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+NH4"	18.033823
"793626"	951.321223	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+NH4"	18.033823
"1684852"	329.129623	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+NH4"	18.033823
"333131"	320.6163495	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+H+NH4"	19.041099
"727009"	476.1642495	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+H+NH4"	19.041099
"1482287"	165.0684495	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H+NH4"	19.041099
"395865"	645.180818	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+Na"	22.989218
"759775"	956.276618	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+Na"	22.989218
"1607874"	334.085018	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Na"	22.989218
"316086"	323.094047	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+H+Na"	23.996494
"710694"	478.641947	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+H+Na"	23.996494
"1462694"	167.546147	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H+Na"	23.996494
"1054845"	112.03319	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2H+Na"	25.00377
"1257616"	344.129286	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+CH3OH+H"	33.033486
"377323"	661.154758	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+K"	38.963158
"739743"	972.250558	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+K"	38.963158
"1540092"	350.058958	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+K"	38.963158
"307731"	331.081017	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+H+K"	39.970434
"702339"	486.628917	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+H+K"	39.970434
"1450691"	175.533117	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H+K"	39.970434
"243669"	664.225426	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+ACN+H"	42.033826
"1213462"	353.129626	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+ACN+H"	42.033826
"1197344"	177.068451	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+ACN+2H"	43.041102
"193861"	667.16276	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+2Na-H"	44.97116
"637074"	978.25856	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+2Na-H"	44.97116
"1140581"	356.06696	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2Na-H"	44.97116
"175486"	334.085018	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+2Na"	45.978436
"618326"	489.632918	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+2Na"	45.978436
"1118191"	178.537118	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2Na"	45.978436
"1400014"	119.360504	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H+2Na"	46.985712
"1430543"	358.108546	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H+HCOOH"	47.012746
"222422"	339.11804	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+3H2O+2H"	56.04448
"1511218"	372.16059	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+IsoProp+H"	61.06479
"415655"	342.071988	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+Na+K"	61.952376
"774096"	497.619888	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+Na+K"	61.952376
"1670425"	186.524088	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Na+K"	61.952376
"255489"	686.207368	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+ACN+Na"	64.015768
"1228194"	375.111568	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+ACN+Na"	64.015768
"1715628"	375.135093	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+NH4+HCOOH"	64.039293
"1188639"	126.687818	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+3Na"	68.967654
"1655251"	380.090488	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Na+HCOOH"	68.994688
"161383"	699.11064	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+2K-H"	76.91904
"603859"	1010.20644	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+2K-H"	76.91904
"1097120"	388.01484	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2K-H"	76.91904
"149562"	350.058958	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"2M+2K"	77.926316
"589121"	505.606858	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"3M+2K"	77.926316
"1073636"	194.511058	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2K"	77.926316
"1109032"	390.029392	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2K+H"	78.933592
"1341045"	390.117007	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+DMSO+H"	79.021207
"1010674"	394.156176	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2ACN+H"	83.060376
"1535365"	395.149808	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+IsoProp+Na+H"	84.054008
"999627"	197.581726	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+2ACN+2H"	84.067652
"1602393"	396.064428	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+K+HCOOH"	84.968628
"1425261"	426.095938	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+H+CF3COOH"	115.000138
"1155548"	218.095001	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+3ACN+2H"	125.094202
"1705099"	443.122485	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+NH4+CF3COOH"	132.026685
"1639655"	448.07788	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+Na+CF3COOH"	136.98208
"1586241"	464.05182	"C16610"	"Citalopram propionic acid"	"C18H14FNO3"	"311.0958"	"M+K+CF3COOH"	152.95602
"804578"	311.1322	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M"	0
"977015"	292.11381	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-H2O-H"	-19.01839
"67443"	206.414190666667	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M-3H"	-3.021828
"515387"	310.124924	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M-3H"	-3.021828
"890272"	102.703457333333	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-3H"	-3.021828
"6662"	310.124924	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M-2H"	-2.014552
"446222"	465.691024	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M-2H"	-2.014552
"825120"	154.558824	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-2H"	-2.014552
"86204"	621.257124	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M-H"	-1.007276
"521754"	932.389324	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M-H"	-1.007276
"898097"	310.124924	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-H"	-1.007276
"51383"	638.283671	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M-2H+NH4"	16.019271
"494225"	949.415871	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M-2H+NH4"	16.019271
"872027"	327.151471	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-2H+NH4"	16.019271
"46004"	643.239066	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M-2H+Na"	20.974666
"477665"	954.371266	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M-2H+Na"	20.974666
"858385"	332.106866	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-2H+Na"	20.974666
"1631199"	332.106866	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Na-2H"	20.974666
"105541"	328.113263	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M-H+Cl"	33.962126
"546195"	483.679363	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M-H+Cl"	33.962126
"939709"	172.547163	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-H+Cl"	33.962126
"273892"	657.233802	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+Cl"	34.969402
"667406"	968.366002	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+Cl"	34.969402
"1280903"	346.101602	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Cl"	34.969402
"30917"	659.213006	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M-2H+K"	36.948606
"465210"	970.345206	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M-2H+K"	36.948606
"843011"	348.080806	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-2H+K"	36.948606
"1561032"	348.080806	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+K-2H"	36.948606
"947823"	356.130394	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-H+HCOOH"	44.998194
"367131"	667.262601	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+HCOOH-H"	44.998201
"355393"	681.278251	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+Hac-H"	59.013851
"1499852"	370.146051	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Hac-H"	59.013851
"962289"	378.112351	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-H+NaCOOH"	66.980151
"118487"	346.101602	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+2Cl"	69.938804
"556951"	501.667702	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+2Cl"	69.938804
"1025749"	190.535502	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2Cl"	69.938804
"1253719"	390.051085	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Br"	78.918885
"1309971"	392.107072	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Cl+HCOOH"	80.974872
"1327468"	414.089029	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Cl+NaCOOH"	102.956829
"923270"	424.117786	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M-H+CF3COOH"	112.985586
"1298517"	460.094464	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Cl+CF3COOH"	148.962264
"1381057"	276.119524	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H-2H2O"	-35.012676
"1395272"	294.1295	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H-H2O"	-17.0027
"294955"	623.271676	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+H"	1.007276
"688109"	934.403876	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+H"	1.007276
"1360443"	312.139476	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H"	1.007276
"130054"	312.139476	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+2H"	2.014552
"573254"	467.705576	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+2H"	2.014552
"1043149"	156.573376	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2H"	2.014552
"210685"	208.428742666667	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+3H"	3.021828
"653524"	312.139476	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+3H"	3.021828
"1170556"	104.718009333333	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+3H"	3.021828
"434921"	640.298223	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+NH4"	18.033823
"790455"	951.430423	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+NH4"	18.033823
"1683869"	329.166023	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+NH4"	18.033823
"332878"	320.6527495	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+H+NH4"	19.041099
"726392"	476.2188495	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+H+NH4"	19.041099
"1480943"	165.0866495	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H+NH4"	19.041099
"394518"	645.253618	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+Na"	22.989218
"757700"	956.385818	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+Na"	22.989218
"1604706"	334.121418	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Na"	22.989218
"316929"	323.130447	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+H+Na"	23.996494
"710440"	478.696547	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+H+Na"	23.996494
"1462439"	167.564347	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H+Na"	23.996494
"1053859"	112.045323333333	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2H+Na"	25.00377
"1258819"	344.165686	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+CH3OH+H"	33.033486
"377396"	661.227558	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+K"	38.963158
"739247"	972.359758	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+K"	38.963158
"1539884"	350.095358	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+K"	38.963158
"310027"	331.117417	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+H+K"	39.970434
"702449"	486.683517	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+H+K"	39.970434
"1452987"	175.551317	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H+K"	39.970434
"245965"	664.298226	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+ACN+H"	42.033826
"1213207"	353.166026	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+ACN+H"	42.033826
"1198183"	177.086651	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+ACN+2H"	43.041102
"194335"	667.23556	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+2Na-H"	44.97116
"637184"	978.36776	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+2Na-H"	44.97116
"1137411"	356.10336	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2Na-H"	44.97116
"174868"	334.121418	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+2Na"	45.978436
"613453"	489.687518	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+2Na"	45.978436
"1116352"	178.555318	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2Na"	45.978436
"1400367"	119.372637333333	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H+2Na"	46.985712
"1432112"	358.144946	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H+HCOOH"	47.012746
"220711"	339.15444	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+3H2O+2H"	56.04448
"1509505"	372.19699	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+IsoProp+H"	61.06479
"417951"	342.108388	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+Na+K"	61.952376
"774572"	497.674488	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+Na+K"	61.952376
"1669807"	186.542288	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Na+K"	61.952376
"255599"	686.280168	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+ACN+Na"	64.015768
"1226847"	375.147968	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+ACN+Na"	64.015768
"1716100"	375.171493	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+NH4+HCOOH"	64.039293
"1181820"	126.699951333333	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+3Na"	68.967654
"1655360"	380.126888	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Na+HCOOH"	68.994688
"163314"	699.18344	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+2K-H"	76.91904
"605061"	1010.31564	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+2K-H"	76.91904
"1095043"	388.05124	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2K-H"	76.91904
"154047"	350.095358	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"2M+2K"	77.926316
"591419"	505.661458	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"3M+2K"	77.926316
"1079213"	194.529258	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2K"	77.926316
"1106955"	390.065792	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2K+H"	78.933592
"1342248"	390.153407	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+DMSO+H"	79.021207
"1009693"	394.192576	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2ACN+H"	83.060376
"1528908"	395.186208	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+IsoProp+Na+H"	84.054008
"995358"	197.599926	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+2ACN+2H"	84.067652
"1590958"	396.100828	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+K+HCOOH"	84.968628
"1425369"	426.132338	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+H+CF3COOH"	115.000138
"1155659"	218.113201	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+3ACN+2H"	125.094202
"1706303"	443.158885	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+NH4+CF3COOH"	132.026685
"1637578"	448.11428	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+Na+CF3COOH"	136.98208
"1586351"	464.08822	"C16611"	"Citalopram alcohol"	"C19H18FNO2"	"311.1322"	"M+K+CF3COOH"	152.95602
"803595"	295.1009	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M"	0
"974939"	276.08251	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-H2O-H"	-19.01839
"66460"	195.726657333333	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M-3H"	-3.021828
"513674"	294.093624	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M-3H"	-3.021828
"887102"	97.3596906666667	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-3H"	-3.021828
"5679"	294.093624	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M-2H"	-2.014552
"443051"	441.644074	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M-2H"	-2.014552
"825230"	146.543174	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-2H"	-2.014552
"86314"	589.194524	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M-H"	-1.007276
"521135"	884.295424	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M-H"	-1.007276
"897232"	294.093624	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-H"	-1.007276
"49671"	606.221071	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M-2H+NH4"	16.019271
"494335"	901.321971	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M-2H+NH4"	16.019271
"868856"	311.120171	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-2H+NH4"	16.019271
"37852"	611.176466	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M-2H+Na"	20.974666
"478139"	906.277366	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M-2H+Na"	20.974666
"855214"	316.075566	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-2H+Na"	20.974666
"1628028"	316.075566	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Na-2H"	20.974666
"102372"	312.081963	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M-H+Cl"	33.962126
"541933"	459.632413	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M-H+Cl"	33.962126
"938726"	164.531513	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-H+Cl"	33.962126
"268534"	625.171202	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+Cl"	34.969402
"664235"	920.272102	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+Cl"	34.969402
"1277732"	330.070302	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Cl"	34.969402
"22478"	627.150406	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M-2H+K"	36.948606
"462039"	922.251306	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M-2H+K"	36.948606
"842028"	332.049506	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-2H+K"	36.948606
"1560049"	332.049506	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+K-2H"	36.948606
"945744"	340.099094	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-H+HCOOH"	44.998194
"363962"	635.200001	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+HCOOH-H"	44.998201
"353316"	649.215651	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+Hac-H"	59.013851
"1498865"	354.114751	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Hac-H"	59.013851
"966407"	362.081051	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-H+NaCOOH"	66.980151
"116409"	330.070302	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+2Cl"	69.938804
"553781"	477.620752	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+2Cl"	69.938804
"1023672"	182.519852	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2Cl"	69.938804
"1253829"	374.019785	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Br"	78.918885
"1311174"	376.075772	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Cl+HCOOH"	80.974872
"1327578"	398.057729	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Cl+NaCOOH"	102.956829
"925202"	408.086486	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M-H+CF3COOH"	112.985586
"1298627"	444.063164	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Cl+CF3COOH"	148.962264
"1380071"	260.088224	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H-2H2O"	-35.012676
"1396108"	278.0982	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H-H2O"	-17.0027
"295065"	591.209076	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+H"	1.007276
"688218"	886.309976	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+H"	1.007276
"1360553"	296.108176	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H"	1.007276
"131257"	296.108176	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+2H"	2.014552
"569722"	443.658626	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+2H"	2.014552
"1042896"	148.557726	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2H"	2.014552
"208607"	197.741209333333	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+3H"	3.021828
"651448"	296.108176	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+3H"	3.021828
"1168480"	99.3742426666667	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+3H"	3.021828
"435032"	608.235623	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+NH4"	18.033823
"789472"	903.336523	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+NH4"	18.033823
"1683615"	313.134723	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+NH4"	18.033823
"335175"	304.6214495	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+H+NH4"	19.041099
"727596"	452.1718995	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+H+NH4"	19.041099
"1482512"	157.0709995	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H+NH4"	19.041099
"397910"	613.191018	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+Na"	22.989218
"762185"	908.291918	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+Na"	22.989218
"1609189"	318.090118	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Na"	22.989218
"322506"	307.099147	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+H+Na"	23.996494
"708365"	454.649597	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+H+Na"	23.996494
"1462184"	159.548697	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H+Na"	23.996494
"1054698"	106.701556666667	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2H+Na"	25.00377
"1259294"	328.134386	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+CH3OH+H"	33.033486
"378235"	629.164958	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+K"	38.963158
"738546"	924.265858	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+K"	38.963158
"1540028"	334.064058	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+K"	38.963158
"305034"	315.086117	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+H+K"	39.970434
"700371"	462.636567	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+H+K"	39.970434
"1449817"	167.535667	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H+K"	39.970434
"243888"	632.235626	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+ACN+H"	42.033826
"1213317"	337.134726	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+ACN+H"	42.033826
"1198293"	169.071001	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+ACN+2H"	43.041102
"195538"	635.17296	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+2Na-H"	44.97116
"636199"	930.27386	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+2Na-H"	44.97116
"1137520"	340.07206	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2Na-H"	44.97116
"173761"	318.090118	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+2Na"	45.978436
"613927"	465.640568	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+2Na"	45.978436
"1117311"	170.539668	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2Na"	45.978436
"1399263"	114.028870666667	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H+2Na"	46.985712
"1430403"	342.113646	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H+HCOOH"	47.012746
"221309"	323.12314	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+3H2O+2H"	56.04448
"1509496"	356.16569	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+IsoProp+H"	61.06479
"415874"	326.077088	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+Na+K"	61.952376
"774682"	473.627538	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+Na+K"	61.952376
"1669189"	178.526638	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Na+K"	61.952376
"256073"	654.217568	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+ACN+Na"	64.015768
"1228052"	359.116668	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+ACN+Na"	64.015768
"1716940"	359.140193	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+NH4+HCOOH"	64.039293
"1181930"	121.356184666667	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+3Na"	68.967654
"1652917"	364.095588	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Na+HCOOH"	68.994688
"164518"	667.12084	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+2K-H"	76.91904
"605172"	962.22174	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+2K-H"	76.91904
"1095153"	372.01994	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2K-H"	76.91904
"151970"	334.064058	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"2M+2K"	77.926316
"591529"	481.614508	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"3M+2K"	77.926316
"1079323"	186.513608	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2K"	77.926316
"1109252"	374.034492	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2K+H"	78.933592
"1342358"	374.122107	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+DMSO+H"	79.021207
"1009803"	378.161276	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2ACN+H"	83.060376
"1530111"	379.154908	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+IsoProp+Na+H"	84.054008
"996560"	189.584276	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+2ACN+2H"	84.067652
"1589968"	380.069528	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+K+HCOOH"	84.968628
"1424386"	410.101038	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+H+CF3COOH"	115.000138
"1155769"	210.097551	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+3ACN+2H"	125.094202
"1706413"	427.127585	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+NH4+CF3COOH"	132.026685
"1636595"	432.08298	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+Na+CF3COOH"	136.98208
"1586461"	448.05692	"C16612"	"Citalopram aldehyde"	"C18H14FNO2"	"295.1009"	"M+K+CF3COOH"	152.95602
"803705"	184.0055	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M"	0
"975168"	164.98711	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-H2O-H"	-19.01839
"66933"	121.663057333333	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M-3H"	-3.021828
"508317"	182.998224	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M-3H"	-3.021828
"892679"	60.3278906666667	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-3H"	-3.021828
"3602"	182.998224	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M-2H"	-2.014552
"446442"	275.000974	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M-2H"	-2.014552
"823154"	90.995474	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-2H"	-2.014552
"89705"	367.003724	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M-H"	-1.007276
"527078"	551.009224	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M-H"	-1.007276
"899776"	182.998224	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-H"	-1.007276
"54883"	384.030271	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M-2H+NH4"	16.019271
"494445"	568.035771	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M-2H+NH4"	16.019271
"871153"	200.024771	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-2H+NH4"	16.019271
"41242"	388.985666	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M-2H+Na"	20.974666
"477521"	572.991166	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M-2H+Na"	20.974666
"858605"	204.980166	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-2H+Na"	20.974666
"1627045"	204.980166	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Na-2H"	20.974666
"105762"	200.986563	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M-H+Cl"	33.962126
"542043"	292.989313	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M-H+Cl"	33.962126
"938836"	108.983813	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-H+Cl"	33.962126
"271924"	402.980402	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+Cl"	34.969402
"665438"	586.985902	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+Cl"	34.969402
"1281122"	218.974902	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Cl"	34.969402
"25868"	404.959606	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M-2H+K"	36.948606
"467617"	588.965106	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M-2H+K"	36.948606
"847892"	220.954106	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-2H+K"	36.948606
"1565625"	220.954106	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+K-2H"	36.948606
"951322"	229.003694	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-H+HCOOH"	44.998194
"367351"	413.009201	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+HCOOH-H"	44.998201
"350146"	427.024851	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+Hac-H"	59.013851
"1497882"	243.019351	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Hac-H"	59.013851
"966517"	250.985651	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-H+NaCOOH"	66.980151
"116519"	218.974902	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+2Cl"	69.938804
"553891"	310.977652	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+2Cl"	69.938804
"1027062"	126.972152	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2Cl"	69.938804
"1248836"	262.924385	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Br"	78.918885
"1311284"	264.980372	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Cl+HCOOH"	80.974872
"1329875"	286.962329	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Cl+NaCOOH"	102.956829
"925920"	296.991086	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M-H+CF3COOH"	112.985586
"1300560"	332.967764	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Cl+CF3COOH"	148.962264
"1381883"	148.992824	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H-2H2O"	-35.012676
"1396582"	167.0028	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H-H2O"	-17.0027
"296270"	369.018276	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+H"	1.007276
"687963"	553.023776	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+H"	1.007276
"1362850"	185.012776	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H"	1.007276
"134647"	185.012776	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+2H"	2.014552
"574207"	277.015526	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+2H"	2.014552
"1049566"	93.010026	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2H"	2.014552
"210906"	123.677609333333	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+3H"	3.021828
"654838"	185.012776	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+3H"	3.021828
"1176245"	62.3424426666667	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+3H"	3.021828
"439153"	386.044823	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+NH4"	18.033823
"789583"	570.050323	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+NH4"	18.033823
"1684455"	202.039323	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+NH4"	18.033823
"334557"	193.5260495	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+H+NH4"	19.041099
"730987"	285.5287995	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+H+NH4"	19.041099
"1480435"	101.5232995	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H+NH4"	19.041099
"398020"	391.000218	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+Na"	22.989218
"767398"	575.005718	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+Na"	22.989218
"1607112"	206.994718	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Na"	22.989218
"328084"	196.003747	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+H+Na"	23.996494
"715038"	288.006497	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+H+Na"	23.996494
"1465578"	104.000997	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H+Na"	23.996494
"1061007"	69.6697566666667	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2H+Na"	25.00377
"1263779"	217.038986	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+CH3OH+H"	33.033486
"381261"	406.974158	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+K"	38.963158
"739105"	590.979658	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+K"	38.963158
"1540784"	222.968658	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+K"	38.963158
"303685"	203.990717	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+H+K"	39.970434
"698292"	295.993467	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+H+K"	39.970434
"1449926"	111.987967	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H+K"	39.970434
"241811"	410.044826	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+ACN+H"	42.033826
"1213427"	226.039326	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+ACN+H"	42.033826
"1199497"	113.523301	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+ACN+2H"	43.041102
"193462"	412.98216	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+2Na-H"	44.97116
"639590"	596.98766	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+2Na-H"	44.97116
"1142003"	228.97666	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2Na-H"	44.97116
"174963"	206.994718	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+2Na"	45.978436
"615741"	298.997468	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+2Na"	45.978436
"1120705"	114.991968	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2Na"	45.978436
"1398885"	76.9970706666667	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H+2Na"	46.985712
"1430515"	231.018246	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H+HCOOH"	47.012746
"221546"	212.02774	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+3H2O+2H"	56.04448
"1510094"	245.07029	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+IsoProp+H"	61.06479
"415984"	214.981688	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+Na+K"	61.952376
"778072"	306.984438	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+Na+K"	61.952376
"1670029"	122.978938	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Na+K"	61.952376
"253997"	432.026768	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+ACN+Na"	64.015768
"1228890"	248.021268	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+ACN+Na"	64.015768
"1717050"	248.044793	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+NH4+HCOOH"	64.039293
"1185684"	84.3243846666667	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+3Na"	68.967654
"1653388"	253.000188	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Na+HCOOH"	68.994688
"164623"	444.93004	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+2K-H"	76.91904
"604186"	628.93554	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+2K-H"	76.91904
"1086876"	260.92454	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2K-H"	76.91904
"150983"	222.968658	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"2M+2K"	77.926316
"590543"	314.971408	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"3M+2K"	77.926316
"1079429"	130.965908	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2K"	77.926316
"1109360"	262.939092	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2K+H"	78.933592
"1340282"	263.026707	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+DMSO+H"	79.021207
"1011006"	267.065876	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2ACN+H"	83.060376
"1528035"	268.059508	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+IsoProp+Na+H"	84.054008
"994483"	134.036576	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+2ACN+2H"	84.067652
"1588985"	268.974128	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+K+HCOOH"	84.968628
"1424496"	299.005638	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+H+CF3COOH"	115.000138
"1159159"	154.549851	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+3ACN+2H"	125.094202
"1706523"	316.032185	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+NH4+CF3COOH"	132.026685
"1636705"	320.98758	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+Na+CF3COOH"	136.98208
"1586571"	336.96152	"C16613"	"6-Thiourate;6-Thiouric acid"	"C5H4N4O2S"	"184.0055"	"M+K+CF3COOH"	152.95602
"803815"	166.0313	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M"	0
"976251"	147.01291	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-H2O-H"	-19.01839
"66681"	109.680257333333	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M-3H"	-3.021828
"513894"	165.024024	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M-3H"	-3.021828
"891696"	54.3364906666667	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-3H"	-3.021828
"10273"	165.024024	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M-2H"	-2.014552
"449832"	248.039674	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M-2H"	-2.014552
"826545"	82.008374	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-2H"	-2.014552
"92001"	331.055324	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M-H"	-1.007276
"530468"	497.086624	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M-H"	-1.007276
"903896"	165.024024	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-H"	-1.007276
"56086"	348.081871	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M-2H+NH4"	16.019271
"493461"	514.113171	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M-2H+NH4"	16.019271
"871263"	182.050571	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-2H+NH4"	16.019271
"38801"	353.037266	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M-2H+Na"	20.974666
"477631"	519.068566	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M-2H+Na"	20.974666
"855435"	187.005966	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-2H+Na"	20.974666
"1623875"	187.005966	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Na-2H"	20.974666
"102592"	183.012363	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M-H+Cl"	33.962126
"538871"	266.028013	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M-H+Cl"	33.962126
"933478"	99.996713	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-H+Cl"	33.962126
"267902"	367.032002	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+Cl"	34.969402
"667735"	533.063302	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+Cl"	34.969402
"1279044"	201.000702	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Cl"	34.969402
"21603"	369.011206	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M-2H+K"	36.948606
"463352"	535.042506	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M-2H+K"	36.948606
"842248"	202.979906	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-2H+K"	36.948606
"1561360"	202.979906	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+K-2H"	36.948606
"945965"	211.029494	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-H+HCOOH"	44.998194
"362237"	377.060801	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+HCOOH-H"	44.998201
"354630"	391.076451	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+Hac-H"	59.013851
"1499085"	225.045151	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Hac-H"	59.013851
"967720"	233.011451	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-H+NaCOOH"	66.980151
"117722"	201.000702	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+2Cl"	69.938804
"555094"	284.016352	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+2Cl"	69.938804
"1024986"	117.985052	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2Cl"	69.938804
"1250040"	244.950185	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Br"	78.918885
"1307021"	247.006172	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Cl+HCOOH"	80.974872
"1325612"	268.988129	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Cl+NaCOOH"	102.956829
"924691"	279.016886	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M-H+CF3COOH"	112.985586
"1293379"	314.993564	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Cl+CF3COOH"	148.962264
"1378102"	131.018624	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H-2H2O"	-35.012676
"1387944"	149.0286	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H-H2O"	-17.0027
"295285"	333.069876	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+H"	1.007276
"689167"	499.101176	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+H"	1.007276
"1365147"	167.038576	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H"	1.007276
"133664"	167.038576	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+2H"	2.014552
"574317"	250.054226	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+2H"	2.014552
"1046396"	84.022926	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2H"	2.014552
"214296"	111.694809333333	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+3H"	3.021828
"658721"	167.038576	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+3H"	3.021828
"1178017"	56.3510426666667	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+3H"	3.021828
"439511"	350.096423	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+NH4"	18.033823
"791881"	516.127723	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+NH4"	18.033823
"1685295"	184.065123	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+NH4"	18.033823
"334304"	175.5518495	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+H+NH4"	19.041099
"725995"	258.5674995	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+H+NH4"	19.041099
"1482732"	92.5361995	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H+NH4"	19.041099
"403597"	355.051818	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+Na"	22.989218
"761314"	521.083118	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+Na"	22.989218
"1612689"	189.020518	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Na"	22.989218
"322726"	178.029547	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+H+Na"	23.996494
"714055"	261.045197	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+H+Na"	23.996494
"1465688"	95.013897	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H+Na"	23.996494
"1055654"	63.6783566666667	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2H+Na"	25.00377
"1261702"	199.064786	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+CH3OH+H"	33.033486
"377607"	371.025758	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+K"	38.963158
"742741"	537.057058	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+K"	38.963158
"1550991"	204.994458	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+K"	38.963158
"307075"	186.016517	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+H+K"	39.970434
"699496"	269.032167	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+H+K"	39.970434
"1452227"	103.000867	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H+K"	39.970434
"240828"	374.096426	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+ACN+H"	42.033826
"1215724"	208.065126	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+ACN+H"	42.033826
"1203984"	104.536201	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+ACN+2H"	43.041102
"199043"	377.03376	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+2Na-H"	44.97116
"639700"	543.06506	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+2Na-H"	44.97116
"1136643"	211.00246	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2Na-H"	44.97116
"181028"	189.020518	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+2Na"	45.978436
"620590"	272.036168	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+2Na"	45.978436
"1124095"	106.004868	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2Na"	45.978436
"1407621"	71.0056706666667	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H+2Na"	46.985712
"1435363"	213.044046	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H+HCOOH"	47.012746
"225056"	194.05354	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+3H2O+2H"	56.04448
"1513120"	227.09609	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+IsoProp+H"	61.06479
"418281"	197.007488	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+Na+K"	61.952376
"780370"	280.023138	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+Na+K"	61.952376
"1672326"	113.991838	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Na+K"	61.952376
"253379"	396.078368	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+ACN+Na"	64.015768
"1232647"	230.047068	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+ACN+Na"	64.015768
"1719347"	230.070593	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+NH4+HCOOH"	64.039293
"1191261"	78.3329846666667	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+3Na"	68.967654
"1654593"	235.025988	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Na+HCOOH"	68.994688
"164734"	408.98164	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+2K-H"	76.91904
"605389"	575.01294	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+2K-H"	76.91904
"1092089"	242.95034	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2K-H"	76.91904
"148905"	204.994458	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"2M+2K"	77.926316
"591745"	288.010108	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"3M+2K"	77.926316
"1076258"	121.978808	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2K"	77.926316
"1109469"	244.964892	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2K+H"	78.933592
"1339661"	245.052507	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+DMSO+H"	79.021207
"1007097"	249.091676	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2ACN+H"	83.060376
"1528144"	250.085308	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+IsoProp+Na+H"	84.054008
"993500"	125.049476	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+2ACN+2H"	84.067652
"1588002"	250.999928	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+K+HCOOH"	84.968628
"1424606"	281.031438	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+H+CF3COOH"	115.000138
"1158175"	145.562751	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+3ACN+2H"	125.094202
"1706633"	298.057985	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+NH4+CF3COOH"	132.026685
"1636815"	303.01338	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+Na+CF3COOH"	136.98208
"1586681"	318.98732	"C16614"	"6-Methylmercaptopurine;Thiopurine S-methylether"	"C6H6N4S"	"166.0313"	"M+K+CF3COOH"	152.95602
"805018"	378.0399	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M"	0
"978551"	359.02151	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-H2O-H"	-19.01839
"70072"	251.019324	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M-3H"	-3.021828
"511817"	377.032624	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M-3H"	-3.021828
"892899"	125.006024	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-3H"	-3.021828
"11476"	377.032624	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M-2H"	-2.014552
"449942"	566.052574	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M-2H"	-2.014552
"823372"	188.012674	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-2H"	-2.014552
"87737"	755.072524	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M-H"	-1.007276
"530578"	1133.112424	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M-H"	-1.007276
"906192"	377.032624	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-H"	-1.007276
"55103"	772.099071	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M-2H+NH4"	16.019271
"491384"	1150.138971	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M-2H+NH4"	16.019271
"875382"	394.059171	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-2H+NH4"	16.019271
"40367"	777.054466	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M-2H+Na"	20.974666
"476647"	1155.094366	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M-2H+Na"	20.974666
"852264"	399.014566	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-2H+Na"	20.974666
"1622891"	399.014566	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Na-2H"	20.974666
"104888"	395.020963	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M-H+Cl"	33.962126
"541167"	584.040913	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M-H+Cl"	33.962126
"933588"	206.001013	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-H+Cl"	33.962126
"272142"	791.049202	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+Cl"	34.969402
"667845"	1169.089102	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+Cl"	34.969402
"1285714"	413.009302	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Cl"	34.969402
"21713"	793.028406	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M-2H+K"	36.948606
"467835"	1171.068306	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M-2H+K"	36.948606
"846367"	414.988506	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-2H+K"	36.948606
"1563657"	414.988506	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+K-2H"	36.948606
"948262"	423.038094	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-H+HCOOH"	44.998194
"363562"	801.078001	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+HCOOH-H"	44.998201
"355833"	815.093651	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+Hac-H"	59.013851
"1499195"	437.053751	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Hac-H"	59.013851
"967830"	445.020051	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-H+NaCOOH"	66.980151
"118925"	413.009302	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+2Cl"	69.938804
"556298"	602.029252	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+2Cl"	69.938804
"1027284"	223.989352	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2Cl"	69.938804
"1249056"	456.958785	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Br"	78.918885
"1310410"	459.014772	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Cl+HCOOH"	80.974872
"1326814"	480.996729	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Cl+NaCOOH"	102.956829
"923343"	491.025486	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M-H+CF3COOH"	112.985586
"1297861"	527.002164	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Cl+CF3COOH"	148.962264
"1379670"	343.027224	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H-2H2O"	-35.012676
"1393520"	361.0372	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H-H2O"	-17.0027
"294302"	757.087076	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+H"	1.007276
"686722"	1135.126976	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+H"	1.007276
"1363800"	379.047176	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H"	1.007276
"133774"	379.047176	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+2H"	2.014552
"575520"	568.067126	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+2H"	2.014552
"1046506"	190.027226	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2H"	2.014552
"214406"	253.033876	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+3H"	3.021828
"658589"	379.047176	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+3H"	3.021828
"1177439"	127.020576	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+3H"	3.021828
"439785"	774.113623	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+NH4"	18.033823
"798551"	1152.153523	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+NH4"	18.033823
"1688322"	396.073723	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+NH4"	18.033823
"335507"	387.5604495	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+H+NH4"	19.041099
"731208"	576.5803995	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+H+NH4"	19.041099
"1491227"	198.5404995	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H+NH4"	19.041099
"406625"	779.069018	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+Na"	22.989218
"766891"	1157.108918	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+Na"	22.989218
"1612799"	401.029118	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Na"	22.989218
"327578"	390.038147	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+H+Na"	23.996494
"717444"	579.058097	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+H+Na"	23.996494
"1464707"	201.018197	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H+Na"	23.996494
"1055035"	134.34789	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2H+Na"	25.00377
"1262907"	411.073386	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+CH3OH+H"	33.033486
"378931"	795.042958	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+K"	38.963158
"739930"	1173.082858	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+K"	38.963158
"1548914"	417.003058	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+K"	38.963158
"304998"	398.025117	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+H+K"	39.970434
"699606"	587.045067	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+H+K"	39.970434
"1451240"	209.005167	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H+K"	39.970434
"238750"	798.113626	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+ACN+H"	42.033826
"1215103"	420.073726	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+ACN+H"	42.033826
"1199718"	210.540501	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+ACN+2H"	43.041102
"202068"	801.05096	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+2Na-H"	44.97116
"640903"	1179.09086	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+2Na-H"	44.97116
"1137846"	423.01106	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2Na-H"	44.97116
"180044"	401.029118	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+2Na"	45.978436
"615229"	590.049068	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+2Na"	45.978436
"1124205"	212.009168	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2Na"	45.978436
"1406638"	141.675204	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H+2Na"	46.985712
"1435473"	425.052646	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H+HCOOH"	47.012746
"225166"	406.06214	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+3H2O+2H"	56.04448
"1513230"	439.10469	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+IsoProp+H"	61.06479
"419484"	409.016088	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+Na+K"	61.952376
"783395"	598.036038	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+Na+K"	61.952376
"1670249"	219.996138	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Na+K"	61.952376
"254582"	820.095568	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+ACN+Na"	64.015768
"1234944"	442.055668	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+ACN+Na"	64.015768
"1720550"	442.079193	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+NH4+HCOOH"	64.039293
"1188091"	149.002518	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+3Na"	68.967654
"1656889"	447.034588	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Na+HCOOH"	68.994688
"162657"	832.99884	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+2K-H"	76.91904
"606592"	1211.03874	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+2K-H"	76.91904
"1088918"	454.95894	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2K-H"	76.91904
"143546"	417.003058	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"2M+2K"	77.926316
"588574"	606.023008	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"3M+2K"	77.926316
"1077461"	227.983108	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2K"	77.926316
"1108485"	456.973492	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2K+H"	78.933592
"1342687"	457.061107	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+DMSO+H"	79.021207
"1007212"	461.100276	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2ACN+H"	83.060376
"1528254"	462.093908	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+IsoProp+Na+H"	84.054008
"993613"	231.053776	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+2ACN+2H"	84.067652
"1588476"	463.008528	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+K+HCOOH"	84.968628
"1421434"	493.040038	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+H+CF3COOH"	115.000138
"1153910"	251.567051	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+3ACN+2H"	125.094202
"1703461"	510.066585	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+NH4+CF3COOH"	132.026685
"1636925"	515.02198	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+Na+CF3COOH"	136.98208
"1586791"	530.99592	"C16615"	"6-Methylthiopurine 5-monophosphate ribonucleotide;6-Methylthioinosine-5-monophosphate"	"C11H15N4O7PS"	"378.0399"	"M+K+CF3COOH"	152.95602
"810596"	443.9906	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M"	0
"976474"	424.97221	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-H2O-H"	-19.01839
"65808"	294.986457333333	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M-3H"	-3.021828
"513021"	442.983324	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M-3H"	-3.021828
"895200"	146.989590666667	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-3H"	-3.021828
"11586"	442.983324	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M-2H"	-2.014552
"450052"	664.978624	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M-2H"	-2.014552
"821296"	220.988024	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-2H"	-2.014552
"86754"	886.973924	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M-H"	-1.007276
"528501"	1330.964524	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M-H"	-1.007276
"907396"	442.983324	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-H"	-1.007276
"55213"	904.000471	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M-2H+NH4"	16.019271
"492587"	1347.991071	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M-2H+NH4"	16.019271
"875856"	460.009871	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-2H+NH4"	16.019271
"39384"	908.955866	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M-2H+Na"	20.974666
"476757"	1352.946466	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M-2H+Na"	20.974666
"861850"	464.965266	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-2H+Na"	20.974666
"1626281"	464.965266	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Na-2H"	20.974666
"106091"	460.971663	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M-H+Cl"	33.962126
"546744"	682.966963	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M-H+Cl"	33.962126
"935884"	238.976363	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-H+Cl"	33.962126
"277720"	922.950602	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+Cl"	34.969402
"671964"	1366.941202	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+Cl"	34.969402
"1287652"	478.960002	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Cl"	34.969402
"24009"	924.929806	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M-2H+K"	36.948606
"468675"	1368.920406	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M-2H+K"	36.948606
"848263"	480.939206	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-2H+K"	36.948606
"1565954"	480.939206	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+K-2H"	36.948606
"956752"	488.988794	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-H+HCOOH"	44.998194
"367682"	932.979401	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+HCOOH-H"	44.998201
"357037"	946.995051	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+Hac-H"	59.013851
"1500399"	503.004451	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Hac-H"	59.013851
"971221"	510.970751	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-H+NaCOOH"	66.980151
"124138"	478.960002	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+2Cl"	69.938804
"558595"	700.955302	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+2Cl"	69.938804
"1027394"	256.964702	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2Cl"	69.938804
"1251347"	522.909485	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Br"	78.918885
"1312703"	524.965472	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Cl+HCOOH"	80.974872
"1330205"	546.947429	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Cl+NaCOOH"	102.956829
"926856"	556.976186	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M-H+CF3COOH"	112.985586
"1300524"	592.952864	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Cl+CF3COOH"	148.962264
"1379051"	408.977924	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H-2H2O"	-35.012676
"1393630"	426.9879	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H-H2O"	-17.0027
"288941"	888.988476	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+H"	1.007276
"687562"	1332.979076	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+H"	1.007276
"1359900"	444.997876	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H"	1.007276
"132791"	444.997876	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+2H"	2.014552
"574537"	666.993176	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+2H"	2.014552
"1046616"	223.002576	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2H"	2.014552
"217796"	297.001009333333	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+3H"	3.021828
"659180"	444.997876	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+3H"	3.021828
"1174388"	149.004142666667	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+3H"	3.021828
"438755"	906.015023	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+NH4"	18.033823
"798661"	1350.005623	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+NH4"	18.033823
"1688432"	462.024423	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+NH4"	18.033823
"337804"	453.5111495	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+H+NH4"	19.041099
"733505"	675.5064495	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+H+NH4"	19.041099
"1492189"	231.5158495	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H+NH4"	19.041099
"406010"	910.970418	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+Na"	22.989218
"766999"	1354.961018	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+Na"	22.989218
"1617287"	466.979818	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Na"	22.989218
"328781"	455.988847	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+H+Na"	23.996494
"713184"	677.984147	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+H+Na"	23.996494
"1468094"	233.993547	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H+Na"	23.996494
"1056966"	156.331456666667	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2H+Na"	25.00377
"1264112"	477.024086	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+CH3OH+H"	33.033486
"380499"	926.944358	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+K"	38.963158
"739918"	1370.934958	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+K"	38.963158
"1547931"	482.953758	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+K"	38.963158
"307295"	463.975817	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+H+K"	39.970434
"699718"	685.971117	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+H+K"	39.970434
"1450257"	241.980517	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H+K"	39.970434
"238860"	930.015026	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+ACN+H"	42.033826
"1215213"	486.024426	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+ACN+H"	42.033826
"1206390"	243.515851	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+ACN+2H"	43.041102
"203272"	932.95236	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+2Na-H"	44.97116
"643200"	1376.94296	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+2Na-H"	44.97116
"1137956"	488.96176	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2Na-H"	44.97116
"176874"	466.979818	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+2Na"	45.978436
"616064"	688.975118	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+2Na"	45.978436
"1127595"	244.984518	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2Na"	45.978436
"1407840"	163.658770666667	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H+2Na"	46.985712
"1439957"	491.003346	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H+HCOOH"	47.012746
"227463"	472.01284	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+3H2O+2H"	56.04448
"1513340"	505.05539	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+IsoProp+H"	61.06479
"419595"	474.966788	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+Na+K"	61.952376
"783869"	696.962088	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+Na+K"	61.952376
"1672545"	252.971488	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Na+K"	61.952376
"257972"	951.996968	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+ACN+Na"	64.015768
"1239064"	508.006368	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+ACN+Na"	64.015768
"1723940"	508.029893	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+NH4+HCOOH"	64.039293
"1191481"	170.986084666667	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+3Na"	68.967654
"1660279"	512.985288	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Na+HCOOH"	68.994688
"162767"	964.90024	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+2K-H"	76.91904
"606702"	1408.89084	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+2K-H"	76.91904
"1089392"	520.90964	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2K-H"	76.91904
"144750"	482.953758	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"2M+2K"	77.926316
"588684"	704.949058	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"3M+2K"	77.926316
"1077571"	260.958458	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2K"	77.926316
"1107501"	522.924192	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2K+H"	78.933592
"1344985"	523.011807	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+DMSO+H"	79.021207
"1010238"	527.050976	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2ACN+H"	83.060376
"1526540"	528.044608	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+IsoProp+Na+H"	84.054008
"992630"	264.029126	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+2ACN+2H"	84.067652
"1589319"	528.959228	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+K+HCOOH"	84.968628
"1423734"	558.990738	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+H+CF3COOH"	115.000138
"1158396"	284.542401	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+3ACN+2H"	125.094202
"1706853"	576.017285	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+NH4+CF3COOH"	132.026685
"1634848"	580.97268	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+Na+CF3COOH"	136.98208
"1583621"	596.94662	"C16616"	"6-Mercaptopurine ribonucleoside 5-diphosphate;6-Thioinosine-5-diphosphate"	"C10H14N4O10P2S"	"443.9906"	"M+K+CF3COOH"	152.95602
"807425"	523.9569	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M"	0
"975853"	504.93851	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-H2O-H"	-19.01839
"69197"	348.297324	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M-3H"	-3.021828
"514224"	522.949624	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M-3H"	-3.021828
"894213"	173.645024	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-3H"	-3.021828
"11695"	522.949624	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M-2H"	-2.014552
"449067"	784.928074	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M-2H"	-2.014552
"823592"	260.971174	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-2H"	-2.014552
"87957"	1046.906524	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M-H"	-1.007276
"524238"	1570.863424	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M-H"	-1.007276
"907506"	522.949624	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-H"	-1.007276
"57510"	1063.933071	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M-2H+NH4"	16.019271
"495978"	1587.889971	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M-2H+NH4"	16.019271
"875966"	539.976171	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-2H+NH4"	16.019271
"40588"	1068.888466	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M-2H+Na"	20.974666
"476137"	1592.845366	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M-2H+Na"	20.974666
"856857"	544.931566	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-2H+Na"	20.974666
"1624204"	544.931566	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Na-2H"	20.974666
"106201"	540.937963	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M-H+Cl"	33.962126
"543574"	802.916413	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M-H+Cl"	33.962126
"935994"	278.959513	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-H+Cl"	33.962126
"280017"	1082.883202	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+Cl"	34.969402
"674140"	1606.840102	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+Cl"	34.969402
"1287275"	558.926302	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Cl"	34.969402
"27402"	1084.862406	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M-2H+K"	36.948606
"468057"	1608.819306	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M-2H+K"	36.948606
"846955"	560.905506	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-2H+K"	36.948606
"1568251"	560.905506	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+K-2H"	36.948606
"955769"	568.955094	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-H+HCOOH"	44.998194
"368885"	1092.912001	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+HCOOH-H"	44.998201
"358605"	1106.927651	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+Hac-H"	59.013851
"1500509"	582.970751	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Hac-H"	59.013851
"966960"	590.937051	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-H+NaCOOH"	66.980151
"123156"	558.926302	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+2Cl"	69.938804
"558706"	820.904752	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+2Cl"	69.938804
"1032973"	296.947852	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2Cl"	69.938804
"1250365"	602.875785	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Br"	78.918885
"1312813"	604.931772	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Cl+HCOOH"	80.974872
"1330315"	626.913729	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Cl+NaCOOH"	102.956829
"921375"	636.942486	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M-H+CF3COOH"	112.985586
"1300998"	672.919164	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Cl+CF3COOH"	148.962264
"1379161"	488.944224	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H-2H2O"	-35.012676
"1394468"	506.9542	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H-H2O"	-17.0027
"292331"	1048.921076	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+H"	1.007276
"685849"	1572.877976	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+H"	1.007276
"1361102"	524.964176	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H"	1.007276
"133993"	524.964176	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+2H"	2.014552
"577928"	786.942626	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+2H"	2.014552
"1047819"	262.985726	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2H"	2.014552
"219005"	350.311876	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+3H"	3.021828
"659417"	524.964176	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+3H"	3.021828
"1177053"	175.659576	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+3H"	3.021828
"435584"	1065.947623	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+NH4"	18.033823
"796951"	1589.904523	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+NH4"	18.033823
"1694374"	541.990723	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+NH4"	18.033823
"334635"	533.4774495	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+H+NH4"	19.041099
"728149"	795.4558995	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+H+NH4"	19.041099
"1483063"	271.4989995	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H+NH4"	19.041099
"395544"	1070.903018	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+Na"	22.989218
"756541"	1594.859918	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+Na"	22.989218
"1615939"	546.946118	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Na"	22.989218
"325975"	535.955147	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+H+Na"	23.996494
"710013"	797.933597	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+H+Na"	23.996494
"1468206"	273.976697	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H+Na"	23.996494
"1053431"	182.98689	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2H+Na"	25.00377
"1258024"	556.990386	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+CH3OH+H"	33.033486
"377571"	1086.876958	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+K"	38.963158
"744893"	1610.833858	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+K"	38.963158
"1544762"	562.920058	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+K"	38.963158
"308500"	543.942117	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+H+K"	39.970434
"699827"	805.920567	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+H+K"	39.970434
"1451462"	281.963667	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H+K"	39.970434
"240427"	1089.947626	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+ACN+H"	42.033826
"1216052"	565.990726	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+ACN+H"	42.033826
"1204313"	283.499001	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+ACN+2H"	43.041102
"197183"	1092.88496	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+2Na-H"	44.97116
"643999"	1616.84186	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+2Na-H"	44.97116
"1140254"	568.92806	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2Na-H"	44.97116
"178076"	546.946118	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+2Na"	45.978436
"615811"	808.924568	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+2Na"	45.978436
"1125519"	284.967668	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2Na"	45.978436
"1409044"	190.314204	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H+2Na"	46.985712
"1443347"	570.969646	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H+HCOOH"	47.012746
"227574"	551.97914	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+3H2O+2H"	56.04448
"1514543"	585.02169	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+IsoProp+H"	61.06479
"422986"	554.933088	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+Na+K"	61.952376
"783615"	816.911538	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+Na+K"	61.952376
"1679581"	292.954638	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Na+K"	61.952376
"266346"	1111.929568	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+ACN+Na"	64.015768
"1240998"	587.972668	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+ACN+Na"	64.015768
"1728020"	587.996193	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+NH4+HCOOH"	64.039293
"1191591"	197.641518	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+3Na"	68.967654
"1660390"	592.951588	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Na+HCOOH"	68.994688
"172766"	1124.83284	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+2K-H"	76.91904
"606812"	1648.78974	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+2K-H"	76.91904
"1092418"	600.87594	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2K-H"	76.91904
"145952"	562.920058	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"2M+2K"	77.926316
"588794"	824.898508	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"3M+2K"	77.926316
"1081935"	300.941608	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2K"	77.926316
"1110891"	602.890492	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2K+H"	78.933592
"1350315"	602.978107	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+DMSO+H"	79.021207
"1014722"	607.017276	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2ACN+H"	83.060376
"1530659"	608.010908	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+IsoProp+Na+H"	84.054008
"998204"	304.012276	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+2ACN+2H"	84.067652
"1591615"	608.925528	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+K+HCOOH"	84.968628
"1423844"	638.957038	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+H+CF3COOH"	115.000138
"1159598"	324.525551	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+3ACN+2H"	125.094202
"1701496"	655.983585	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+NH4+CF3COOH"	132.026685
"1637145"	660.93898	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+Na+CF3COOH"	136.98208
"1583731"	676.91292	"C16617"	"6-Mercaptopurine ribonucleoside triphosphate;6-Thioinosine-5-triphosphate"	"C10H15N4O13P3S"	"523.9569"	"M+K+CF3COOH"	152.95602
"805348"	380.0192	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M"	0
"974788"	361.00081	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-H2O-H"	-19.01839
"64933"	252.338857333333	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M-3H"	-3.021828
"507774"	379.011924	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M-3H"	-3.021828
"887762"	125.665790666667	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-3H"	-3.021828
"8525"	379.011924	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M-2H"	-2.014552
"446991"	569.021524	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M-2H"	-2.014552
"820421"	189.002324	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-2H"	-2.014552
"83694"	759.031124	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M-H"	-1.007276
"524348"	1139.050324	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M-H"	-1.007276
"904336"	379.011924	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-H"	-1.007276
"54339"	776.057671	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M-2H+NH4"	16.019271
"491714"	1156.076871	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M-2H+NH4"	16.019271
"869512"	396.038471	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-2H+NH4"	16.019271
"33771"	781.013066	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M-2H+Na"	20.974666
"474058"	1161.032266	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M-2H+Na"	20.974666
"853687"	400.993866	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-2H+Na"	20.974666
"1623219"	400.993866	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Na-2H"	20.974666
"101936"	397.000263	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M-H+Cl"	33.962126
"538214"	587.009863	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M-H+Cl"	33.962126
"930636"	206.990663	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-H+Cl"	33.962126
"276846"	795.007802	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+Cl"	34.969402
"671455"	1175.027002	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+Cl"	34.969402
"1281671"	414.988602	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Cl"	34.969402
"25323"	796.987006	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M-2H+K"	36.948606
"465977"	1177.006206	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M-2H+K"	36.948606
"843781"	416.967806	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-2H+K"	36.948606
"1565081"	416.967806	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+K-2H"	36.948606
"956243"	425.017394	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-H+HCOOH"	44.998194
"366809"	805.036601	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+HCOOH-H"	44.998201
"357985"	819.052251	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+Hac-H"	59.013851
"1497339"	439.033051	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Hac-H"	59.013851
"967069"	446.999351	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-H+NaCOOH"	66.980151
"123266"	414.988602	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+2Cl"	69.938804
"556629"	604.998202	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+2Cl"	69.938804
"1031990"	224.979002	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2Cl"	69.938804
"1250475"	458.938085	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Br"	78.918885
"1312923"	460.994072	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Cl+HCOOH"	80.974872
"1327144"	482.976029	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Cl+NaCOOH"	102.956829
"921485"	493.004786	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M-H+CF3COOH"	112.985586
"1297828"	528.981464	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Cl+CF3COOH"	148.962264
"1377084"	345.006524	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H-2H2O"	-35.012676
"1390568"	363.0165	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H-H2O"	-17.0027
"287701"	761.045676	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+H"	1.007276
"685958"	1141.064876	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+H"	1.007276
"1360118"	381.026476	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H"	1.007276
"134103"	381.026476	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+2H"	2.014552
"574755"	571.036076	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+2H"	2.014552
"1047929"	191.016876	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2H"	2.014552
"214736"	254.353409333333	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+3H"	3.021828
"657212"	381.026476	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+3H"	3.021828
"1173515"	127.680342666667	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+3H"	3.021828
"439218"	778.072223	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+NH4"	18.033823
"792322"	1158.091423	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+NH4"	18.033823
"1686465"	398.053023	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+NH4"	18.033823
"334745"	389.5397495	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+H+NH4"	19.041099
"725343"	579.5493495	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+H+NH4"	19.041099
"1483173"	199.5301495	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H+NH4"	19.041099
"393586"	783.027618	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+Na"	22.989218
"754463"	1163.046818	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+Na"	22.989218
"1608757"	403.008418	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Na"	22.989218
"316608"	392.017447	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+H+Na"	23.996494
"707445"	582.027047	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+H+Na"	23.996494
"1462849"	202.007847	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H+Na"	23.996494
"1053905"	135.007656666667	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2H+Na"	25.00377
"1258496"	413.052686	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+CH3OH+H"	33.033486
"377358"	799.001558	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+K"	38.963158
"739159"	1179.020758	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+K"	38.963158
"1542318"	418.982358	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+K"	38.963158
"299492"	400.004417	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+H+K"	39.970434
"697751"	590.014017	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+H+K"	39.970434
"1449746"	209.994817	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H+K"	39.970434
"240537"	802.072226	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+ACN+H"	42.033826
"1215433"	422.053026	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+ACN+H"	42.033826
"1198224"	211.530151	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+ACN+2H"	43.041102
"197293"	805.00956	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+2Na-H"	44.97116
"639046"	1185.02876	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+2Na-H"	44.97116
"1141457"	424.99036	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2Na-H"	44.97116
"177093"	403.008418	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+2Na"	45.978436
"613734"	593.018018	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+2Na"	45.978436
"1121257"	212.998818	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2Na"	45.978436
"1403688"	142.334970666667	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H+2Na"	46.985712
"1433617"	427.031946	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H+HCOOH"	47.012746
"223311"	408.04144	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+3H2O+2H"	56.04448
"1513559"	441.08399	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+IsoProp+H"	61.06479
"416533"	410.995388	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+Na+K"	61.952376
"780809"	601.004988	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+Na+K"	61.952376
"1672765"	220.985788	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Na+K"	61.952376
"263659"	824.054168	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+ACN+Na"	64.015768
"1237460"	444.034968	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+ACN+Na"	64.015768
"1724160"	444.058493	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+NH4+HCOOH"	64.039293
"1188421"	149.662284666667	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+3Na"	68.967654
"1658313"	449.013888	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Na+HCOOH"	68.994688
"172811"	836.95744	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+2K-H"	76.91904
"606922"	1216.97664	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+2K-H"	76.91904
"1094715"	456.93824	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2K-H"	76.91904
"147156"	418.982358	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"2M+2K"	77.926316
"591091"	608.991958	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"3M+2K"	77.926316
"1083869"	228.972758	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2K"	77.926316
"1111001"	458.952792	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2K+H"	78.933592
"1348481"	459.040407	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+DMSO+H"	79.021207
"1013739"	463.079576	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2ACN+H"	83.060376
"1528583"	464.073208	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+IsoProp+Na+H"	84.054008
"995035"	232.043426	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+2ACN+2H"	84.067652
"1590996"	464.987828	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+K+HCOOH"	84.968628
"1420673"	495.019338	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+H+CF3COOH"	115.000138
"1158615"	252.556701	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+3ACN+2H"	125.094202
"1699419"	512.045885	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+NH4+CF3COOH"	132.026685
"1635068"	517.00128	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+Na+CF3COOH"	136.98208
"1583841"	532.97522	"C16618"	"6-Thioxanthine 5-monophosphate"	"C10H13N4O8PS"	"380.0192"	"M+K+CF3COOH"	152.95602
"802178"	379.0352	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M"	0
"974237"	360.01681	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-H2O-H"	-19.01839
"65043"	251.682857333333	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M-3H"	-3.021828
"507884"	378.027924	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M-3H"	-3.021828
"885685"	125.337790666667	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-3H"	-3.021828
"7540"	378.027924	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M-2H"	-2.014552
"442727"	567.545524	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M-2H"	-2.014552
"818709"	188.510324	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-2H"	-2.014552
"79915"	757.063124	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M-H"	-1.007276
"519840"	1136.098324	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M-H"	-1.007276
"905539"	378.027924	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-H"	-1.007276
"51169"	774.089671	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M-2H+NH4"	16.019271
"491824"	1153.124871	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M-2H+NH4"	16.019271
"867800"	395.054471	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-2H+NH4"	16.019271
"33880"	779.045066	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M-2H+Na"	20.974666
"474168"	1158.080266	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M-2H+Na"	20.974666
"852704"	400.009866	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-2H+Na"	20.974666
"1623329"	400.009866	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Na-2H"	20.974666
"100953"	396.016263	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M-H+Cl"	33.962126
"537595"	585.533863	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M-H+Cl"	33.962126
"930746"	206.498663	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-H+Cl"	33.962126
"275863"	793.039802	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+Cl"	34.969402
"673267"	1172.075002	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+Cl"	34.969402
"1281781"	414.004602	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Cl"	34.969402
"25433"	795.019006	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M-2H+K"	36.948606
"467181"	1174.054206	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M-2H+K"	36.948606
"843891"	415.983806	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-2H+K"	36.948606
"1567378"	415.983806	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+K-2H"	36.948606
"954168"	424.033394	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-H+HCOOH"	44.998194
"368012"	803.068601	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+HCOOH-H"	44.998201
"357730"	817.084251	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+Hac-H"	59.013851
"1497449"	438.049051	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Hac-H"	59.013851
"967179"	446.015351	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-H+NaCOOH"	66.980151
"119366"	414.004602	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+2Cl"	69.938804
"556739"	603.522202	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+2Cl"	69.938804
"1032100"	224.487002	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2Cl"	69.938804
"1250585"	457.954085	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Br"	78.918885
"1315949"	460.010072	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Cl+HCOOH"	80.974872
"1328347"	481.992029	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Cl+NaCOOH"	102.956829
"921231"	492.020786	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M-H+CF3COOH"	112.985586
"1297938"	527.997464	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Cl+CF3COOH"	148.962264
"1377194"	344.022524	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H-2H2O"	-35.012676
"1390678"	362.0325	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H-H2O"	-17.0027
"289269"	759.077676	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+H"	1.007276
"683882"	1138.112876	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+H"	1.007276
"1359135"	380.042476	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H"	1.007276
"134213"	380.042476	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+2H"	2.014552
"574501"	569.560076	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+2H"	2.014552
"1046946"	190.524876	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2H"	2.014552
"214846"	253.697409333333	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+3H"	3.021828
"656958"	380.042476	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+3H"	3.021828
"1175449"	127.352342666667	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+3H"	3.021828
"439085"	776.104223	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+NH4"	18.033823
"789152"	1155.139423	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+NH4"	18.033823
"1685482"	397.069023	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+NH4"	18.033823
"334855"	388.5557495	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+H+NH4"	19.041099
"723143"	578.0733495	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+H+NH4"	19.041099
"1483283"	199.0381495	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H+NH4"	19.041099
"392911"	781.059618	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+Na"	22.989218
"756399"	1160.094818	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+Na"	22.989218
"1603884"	402.024418	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Na"	22.989218
"315257"	391.033447	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+H+Na"	23.996494
"707473"	580.551047	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+H+Na"	23.996494
"1465144"	201.515847	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H+Na"	23.996494
"1054498"	134.679656666667	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2H+Na"	25.00377
"1257996"	412.068686	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+CH3OH+H"	33.033486
"378638"	797.033558	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+K"	38.963158
"739512"	1176.068758	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+K"	38.963158
"1540968"	417.998358	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+K"	38.963158
"298994"	399.020417	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+H+K"	39.970434
"694942"	588.538017	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+H+K"	39.970434
"1447301"	209.502817	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H+K"	39.970434
"237000"	800.104226	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+ACN+H"	42.033826
"1212259"	421.069026	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+ACN+H"	42.033826
"1196874"	211.038151	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+ACN+2H"	43.041102
"189380"	803.04156	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+2Na-H"	44.97116
"639156"	1182.07676	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+2Na-H"	44.97116
"1141567"	424.00636	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2Na-H"	44.97116
"177567"	402.024418	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+2Na"	45.978436
"613965"	591.542018	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+2Na"	45.978436
"1116376"	212.506818	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2Na"	45.978436
"1398691"	142.006970666667	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H+2Na"	46.985712
"1430808"	426.047946	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H+HCOOH"	47.012746
"223420"	407.05744	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+3H2O+2H"	56.04448
"1510023"	440.09999	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+IsoProp+H"	61.06479
"414820"	410.011388	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+Na+K"	61.952376
"778732"	599.528988	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+Na+K"	61.952376
"1672874"	220.493788	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Na+K"	61.952376
"263769"	822.086168	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+ACN+Na"	64.015768
"1235383"	443.050968	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+ACN+Na"	64.015768
"1724270"	443.074493	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+NH4+HCOOH"	64.039293
"1188531"	149.334284666667	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+3Na"	68.967654
"1658787"	448.029888	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Na+HCOOH"	68.994688
"168565"	834.98944	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+2K-H"	76.91904
"604845"	1214.02464	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+2K-H"	76.91904
"1094825"	455.95424	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2K-H"	76.91904
"147630"	417.998358	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"2M+2K"	77.926316
"590108"	607.515958	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"3M+2K"	77.926316
"1083373"	228.480758	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2K"	77.926316
"1111111"	457.968792	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2K+H"	78.933592
"1344216"	458.056407	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+DMSO+H"	79.021207
"1013848"	462.095576	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2ACN+H"	83.060376
"1528693"	463.089208	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+IsoProp+Na+H"	84.054008
"996238"	231.551426	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+2ACN+2H"	84.067652
"1591835"	464.003828	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+K+HCOOH"	84.968628
"1420783"	494.035338	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+H+CF3COOH"	115.000138
"1158725"	252.064701	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+3ACN+2H"	125.094202
"1699529"	511.061885	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+NH4+CF3COOH"	132.026685
"1635178"	516.01728	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+Na+CF3COOH"	136.98208
"1583951"	531.99122	"C16619"	"6-Thioguanosine monophosphate"	"C10H14N5O7PS"	"379.0352"	"M+K+CF3COOH"	152.95602
"801610"	393.0508	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M"	0
"974560"	374.03241	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-H2O-H"	-19.01839
"65153"	261.026590666667	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M-3H"	-3.021828
"507994"	392.043524	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M-3H"	-3.021828
"885795"	130.009657333333	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-3H"	-3.021828
"9837"	392.043524	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M-2H"	-2.014552
"446118"	588.568924	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M-2H"	-2.014552
"821733"	195.518124	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-2H"	-2.014552
"80997"	785.094324	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M-H"	-1.007276
"521288"	1178.145124	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M-H"	-1.007276
"904556"	392.043524	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-H"	-1.007276
"52369"	802.120871	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M-2H+NH4"	16.019271
"495210"	1195.171671	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M-2H+NH4"	16.019271
"867909"	409.070071	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-2H+NH4"	16.019271
"35448"	807.076266	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M-2H+Na"	20.974666
"473914"	1200.127066	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M-2H+Na"	20.974666
"850627"	414.025466	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-2H+Na"	20.974666
"1620520"	414.025466	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Na-2H"	20.974666
"98876"	410.031863	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M-H+Cl"	33.962126
"537341"	606.557263	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M-H+Cl"	33.962126
"928668"	213.506463	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-H+Cl"	33.962126
"271599"	821.071002	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+Cl"	34.969402
"669488"	1214.121802	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+Cl"	34.969402
"1277516"	428.020202	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Cl"	34.969402
"22263"	823.050206	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M-2H+K"	36.948606
"466199"	1216.101006	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M-2H+K"	36.948606
"842906"	429.999406	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-2H+K"	36.948606
"1564206"	429.999406	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+K-2H"	36.948606
"945528"	438.048994	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-H+HCOOH"	44.998194
"367029"	831.099801	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+HCOOH-H"	44.998201
"355287"	845.115451	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+Hac-H"	59.013851
"1497559"	452.064651	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Hac-H"	59.013851
"968382"	460.030951	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-H+NaCOOH"	66.980151
"120569"	428.020202	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+2Cl"	69.938804
"555755"	624.545602	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+2Cl"	69.938804
"1030023"	231.494802	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2Cl"	69.938804
"1251788"	471.969685	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Br"	78.918885
"1314236"	474.025672	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Cl+HCOOH"	80.974872
"1332827"	496.007629	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Cl+NaCOOH"	102.956829
"921701"	506.036386	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M-H+CF3COOH"	112.985586
"1298048"	542.013064	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Cl+CF3COOH"	148.962264
"1374388"	358.038124	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H-2H2O"	-35.012676
"1389695"	376.0481	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H-H2O"	-17.0027
"285369"	787.108876	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+H"	1.007276
"683992"	1180.159676	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+H"	1.007276
"1359245"	394.058076	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H"	1.007276
"135416"	394.058076	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+2H"	2.014552
"578621"	590.583476	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+2H"	2.014552
"1042682"	197.532676	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2H"	2.014552
"212769"	263.041142666667	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+3H"	3.021828
"657069"	394.058076	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+3H"	3.021828
"1170456"	132.024209333333	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+3H"	3.021828
"434820"	804.135423	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+NH4"	18.033823
"789262"	1197.186223	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+NH4"	18.033823
"1683039"	411.084623	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+NH4"	18.033823
"334965"	402.5713495	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+H+NH4"	19.041099
"724467"	599.0967495	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+H+NH4"	19.041099
"1483393"	206.0459495	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H+NH4"	19.041099
"397700"	809.090818	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+Na"	22.989218
"758697"	1202.141618	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+Na"	22.989218
"1604238"	416.040018	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Na"	22.989218
"316462"	405.049047	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+H+Na"	23.996494
"707909"	601.574447	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+H+Na"	23.996494
"1466347"	208.523647	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H+Na"	23.996494
"1053882"	139.351523333333	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2H+Na"	25.00377
"1258717"	426.084286	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+CH3OH+H"	33.033486
"377896"	825.064758	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+K"	38.963158
"739012"	1218.115558	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+K"	38.963158
"1540223"	432.013958	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+K"	38.963158
"302992"	413.036017	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+H+K"	39.970434
"692862"	609.561417	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+H+K"	39.970434
"1446440"	216.510617	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H+K"	39.970434
"237230"	828.135426	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+ACN+H"	42.033826
"1210543"	435.084626	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+ACN+H"	42.033826
"1198076"	218.045951	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+ACN+2H"	43.041102
"189974"	831.07276	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+2Na-H"	44.97116
"630146"	1224.12356	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+2Na-H"	44.97116
"1134384"	438.02196	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2Na-H"	44.97116
"177313"	416.040018	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+2Na"	45.978436
"614682"	612.565418	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+2Na"	45.978436
"1116120"	219.514618	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2Na"	45.978436
"1399043"	146.678837333333	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H+2Na"	46.985712
"1431281"	440.063546	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H+HCOOH"	47.012746
"223894"	421.07304	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+3H2O+2H"	56.04448
"1508835"	454.11559	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+IsoProp+H"	61.06479
"410191"	424.026988	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+Na+K"	61.952376
"778840"	620.552388	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+Na+K"	61.952376
"1670797"	227.501588	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Na+K"	61.952376
"262421"	850.117368	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+ACN+Na"	64.015768
"1233307"	457.066568	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+ACN+Na"	64.015768
"1722193"	457.090093	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+NH4+HCOOH"	64.039293
"1189734"	154.006151333333	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+3Na"	68.967654
"1658533"	462.045488	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Na+HCOOH"	68.994688
"169768"	863.02064	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+2K-H"	76.91904
"606050"	1256.07144	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+2K-H"	76.91904
"1093841"	469.96984	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2K-H"	76.91904
"147740"	432.013958	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"2M+2K"	77.926316
"590218"	628.539358	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"3M+2K"	77.926316
"1081293"	235.488558	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2K"	77.926316
"1113166"	471.984392	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2K+H"	78.933592
"1346513"	472.072007	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+DMSO+H"	79.021207
"1011772"	476.111176	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2ACN+H"	83.060376
"1528803"	477.104808	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+IsoProp+Na+H"	84.054008
"995255"	238.559226	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+2ACN+2H"	84.067652
"1590852"	478.019428	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+K+HCOOH"	84.968628
"1421986"	508.050938	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+H+CF3COOH"	115.000138
"1159928"	259.072501	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+3ACN+2H"	125.094202
"1698545"	525.077485	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+NH4+CF3COOH"	132.026685
"1637475"	530.03288	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+Na+CF3COOH"	136.98208
"1584061"	546.00682	"C16620"	"6-Methylthioguanosine monophosphate"	"C11H16N5O7PS"	"393.0508"	"M+K+CF3COOH"	152.95602
"804585"	127.0382	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M"	0
"975199"	108.01981	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-H2O-H"	-19.01839
"68545"	83.6848573333333	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M-3H"	-3.021828
"511384"	126.030924	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M-3H"	-3.021828
"893558"	41.3387906666667	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-3H"	-3.021828
"13227"	126.030924	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M-2H"	-2.014552
"450602"	189.550024	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M-2H"	-2.014552
"822936"	62.511824	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-2H"	-2.014552
"81837"	253.069124	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M-H"	-1.007276
"524675"	380.107324	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M-H"	-1.007276
"909039"	126.030924	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-H"	-1.007276
"57946"	270.095671	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M-2H+NH4"	16.019271
"496413"	397.133871	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M-2H+NH4"	16.019271
"869842"	143.057471	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-2H+NH4"	16.019271
"35559"	275.051066	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M-2H+Na"	20.974666
"476213"	402.089266	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M-2H+Na"	20.974666
"854017"	148.012866	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-2H+Na"	20.974666
"1621362"	148.012866	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Na-2H"	20.974666
"102266"	144.019263	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M-H+Cl"	33.962126
"539638"	207.538363	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M-H+Cl"	33.962126
"934246"	80.500163	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-H+Cl"	33.962126
"271709"	289.045802	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+Cl"	34.969402
"665224"	416.084002	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+Cl"	34.969402
"1274952"	162.007602	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Cl"	34.969402
"22373"	291.025006	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M-2H+K"	36.948606
"467402"	418.063206	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M-2H+K"	36.948606
"840829"	163.986806	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-2H+K"	36.948606
"1562129"	163.986806	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+K-2H"	36.948606
"946731"	172.036394	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-H+HCOOH"	44.998194
"368232"	299.074601	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+HCOOH-H"	44.998201
"355397"	313.090251	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+Hac-H"	59.013851
"1504230"	186.052051	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Hac-H"	59.013851
"965210"	194.018351	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-H+NaCOOH"	66.980151
"118493"	162.007602	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+2Cl"	69.938804
"560240"	225.526702	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+2Cl"	69.938804
"1032319"	98.488502	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2Cl"	69.938804
"1255178"	205.957085	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Br"	78.918885
"1315439"	208.013072	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Cl+HCOOH"	80.974872
"1327467"	229.995029	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Cl+NaCOOH"	102.956829
"923633"	240.023786	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M-H+CF3COOH"	112.985586
"1295972"	276.000464	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Cl+CF3COOH"	148.962264
"1378509"	92.025524	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H-2H2O"	-35.012676
"1388712"	110.0355	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H-H2O"	-17.0027
"286209"	255.083676	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+H"	1.007276
"680821"	382.121876	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+H"	1.007276
"1354981"	128.045476	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H"	1.007276
"128234"	128.045476	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+2H"	2.014552
"575451"	191.564576	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+2H"	2.014552
"1044977"	64.526376	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2H"	2.014552
"209598"	85.6994093333333	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+3H"	3.021828
"653168"	128.045476	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+3H"	3.021828
"1170565"	43.3533426666667	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+3H"	3.021828
"432743"	272.110223	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+NH4"	18.033823
"789372"	399.148423	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+NH4"	18.033823
"1686795"	145.072023	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+NH4"	18.033823
"335075"	136.5587495	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+H+NH4"	19.041099
"725309"	200.0778495	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+H+NH4"	19.041099
"1477667"	73.0396495	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H+NH4"	19.041099
"396717"	277.065618	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+Na"	22.989218
"758807"	404.103818	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+Na"	22.989218
"1607993"	150.027418	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Na"	22.989218
"318394"	139.036447	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+H+Na"	23.996494
"708019"	202.555547	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+H+Na"	23.996494
"1464270"	75.517347	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H+Na"	23.996494
"1055330"	50.6806566666667	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2H+Na"	25.00377
"1257855"	160.071686	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+CH3OH+H"	33.033486
"378135"	293.039558	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+K"	38.963158
"739130"	420.077758	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+K"	38.963158
"1543374"	166.001358	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+K"	38.963158
"301280"	147.023417	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+H+K"	39.970434
"692972"	210.542517	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+H+K"	39.970434
"1446429"	83.504317	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H+K"	39.970434
"237949"	296.110226	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+ACN+H"	42.033826
"1210533"	169.072026	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+ACN+H"	42.033826
"1197093"	85.039651	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+ACN+2H"	43.041102
"189235"	299.04756	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+2Na-H"	44.97116
"630985"	426.08576	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+2Na-H"	44.97116
"1134494"	172.00936	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2Na-H"	44.97116
"176692"	150.027418	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+2Na"	45.978436
"613211"	213.546518	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+2Na"	45.978436
"1117204"	86.508318	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2Na"	45.978436
"1399034"	58.0079706666667	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H+2Na"	46.985712
"1430780"	174.050946	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H+HCOOH"	47.012746
"220722"	155.06044	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+3H2O+2H"	56.04448
"1509512"	188.10299	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+IsoProp+H"	61.06479
"412488"	158.014388	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+Na+K"	61.952376
"779680"	221.533488	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+Na+K"	61.952376
"1670907"	94.495288	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Na+K"	61.952376
"260346"	318.092168	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+ACN+Na"	64.015768
"1234146"	191.053968	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+ACN+Na"	64.015768
"1722303"	191.077493	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+NH4+HCOOH"	64.039293
"1182554"	65.3352846666667	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+3Na"	68.967654
"1657550"	196.032888	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Na+HCOOH"	68.994688
"165505"	330.99544	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+2K-H"	76.91904
"607253"	458.03364	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+2K-H"	76.91904
"1098205"	203.95724	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2K-H"	76.91904
"152955"	166.001358	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"2M+2K"	77.926316
"593609"	229.520458	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"3M+2K"	77.926316
"1082496"	102.482258	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2K"	77.926316
"1113518"	205.971792	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2K+H"	78.933592
"1347717"	206.059407	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+DMSO+H"	79.021207
"1010789"	210.098576	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2ACN+H"	83.060376
"1526727"	211.092208	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+IsoProp+Na+H"	84.054008
"994271"	105.552926	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+2ACN+2H"	84.067652
"1589869"	212.006828	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+K+HCOOH"	84.968628
"1422096"	242.038338	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+H+CF3COOH"	115.000138
"1156757"	126.066201	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+3ACN+2H"	125.094202
"1701935"	259.064885	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+NH4+CF3COOH"	132.026685
"1637585"	264.02028	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+Na+CF3COOH"	136.98208
"1584171"	279.99422	"C16621"	"1-Methyl-4-nitroimidazole"	"C4H5N3O2"	"127.0382"	"M+K+CF3COOH"	152.95602
"801670"	116.0586	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M"	0
"974700"	97.04021	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-H2O-H"	-19.01839
"64281"	76.365124	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M-3H"	-3.021828
"509307"	115.051324	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M-3H"	-3.021828
"887108"	37.678924	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-3H"	-3.021828
"11880"	115.051324	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M-2H"	-2.014552
"450711"	173.080624	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M-2H"	-2.014552
"823047"	57.022024	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-2H"	-2.014552
"81947"	231.109924	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M-H"	-1.007276
"524785"	347.168524	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M-H"	-1.007276
"906963"	115.051324	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-H"	-1.007276
"56963"	248.136471	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M-2H+NH4"	16.019271
"495430"	364.195071	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M-2H+NH4"	16.019271
"868493"	132.077871	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-2H+NH4"	16.019271
"33118"	253.091866	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M-2H+Na"	20.974666
"476323"	369.150466	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M-2H+Na"	20.974666
"854127"	137.033266	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-2H+Na"	20.974666
"1621472"	137.033266	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Na-2H"	20.974666
"100190"	133.039663	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M-H+Cl"	33.962126
"539748"	191.068963	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M-H+Cl"	33.962126
"933263"	75.010363	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-H+Cl"	33.962126
"271819"	267.086602	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+Cl"	34.969402
"664241"	383.145202	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+Cl"	34.969402
"1274456"	151.028002	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Cl"	34.969402
"22483"	269.065806	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M-2H+K"	36.948606
"467512"	385.124406	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M-2H+K"	36.948606
"840939"	153.007206	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-2H+K"	36.948606
"1562239"	153.007206	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+K-2H"	36.948606
"945748"	161.056794	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-H+HCOOH"	44.998194
"368342"	277.115401	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+HCOOH-H"	44.998201
"355507"	291.131051	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+Hac-H"	59.013851
"1504340"	175.072451	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Hac-H"	59.013851
"965320"	183.038751	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-H+NaCOOH"	66.980151
"118603"	151.028002	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+2Cl"	69.938804
"561443"	209.057302	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+2Cl"	69.938804
"1032429"	92.998702	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2Cl"	69.938804
"1255288"	194.977485	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Br"	78.918885
"1315549"	197.033472	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Cl+HCOOH"	80.974872
"1327577"	219.015429	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Cl+NaCOOH"	102.956829
"921919"	229.044186	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M-H+CF3COOH"	112.985586
"1291339"	265.020864	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Cl+CF3COOH"	148.962264
"1373514"	81.045924	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H-2H2O"	-35.012676
"1388821"	99.0559	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H-H2O"	-17.0027
"285589"	233.124476	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+H"	1.007276
"679836"	349.183076	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+H"	1.007276
"1356183"	117.065876	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H"	1.007276
"130166"	117.065876	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+2H"	2.014552
"571914"	175.095176	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+2H"	2.014552
"1041807"	59.036576	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2H"	2.014552
"206427"	78.379676	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+3H"	3.021828
"647445"	117.065876	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+3H"	3.021828
"1168488"	39.693476	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+3H"	3.021828
"428478"	250.151023	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+NH4"	18.033823
"789482"	366.209623	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+NH4"	18.033823
"1686905"	134.092423	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+NH4"	18.033823
"332998"	125.5791495	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+H+NH4"	19.041099
"723595"	183.6084495	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+H+NH4"	19.041099
"1477057"	67.5498495	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H+NH4"	19.041099
"397920"	255.106418	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+Na"	22.989218
"758917"	371.165018	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+Na"	22.989218
"1607016"	139.047818	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Na"	22.989218
"317049"	128.056847	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+H+Na"	23.996494
"707125"	186.086147	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+H+Na"	23.996494
"1464379"	70.027547	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H+Na"	23.996494
"1052842"	47.02079	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2H+Na"	25.00377
"1257142"	149.092086	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+CH3OH+H"	33.033486
"377173"	271.080358	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+K"	38.963158
"738600"	387.138958	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+K"	38.963158
"1545306"	155.021758	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+K"	38.963158
"302847"	136.043817	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+H+K"	39.970434
"694176"	194.073117	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+H+K"	39.970434
"1447995"	78.014517	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H+K"	39.970434
"236964"	274.151026	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+ACN+H"	42.033826
"1210522"	158.092426	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+ACN+H"	42.033826
"1195379"	79.549851	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+ACN+2H"	43.041102
"188855"	277.08836	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+2Na-H"	44.97116
"630122"	393.14696	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+2Na-H"	44.97116
"1131804"	161.02976	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2Na-H"	44.97116
"173510"	139.047818	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+2Na"	45.978436
"616345"	197.077118	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+2Na"	45.978436
"1116131"	81.018518	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2Na"	45.978436
"1398805"	54.348104	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H+2Na"	46.985712
"1429912"	163.071346	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H+HCOOH"	47.012746
"220123"	144.08084	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+3H2O+2H"	56.04448
"1509251"	177.12339	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+IsoProp+H"	61.06479
"415878"	147.034788	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+Na+K"	61.952376
"772863"	205.064088	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+Na+K"	61.952376
"1667007"	89.005488	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Na+K"	61.952376
"256808"	296.132968	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+ACN+Na"	64.015768
"1233527"	180.074368	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+ACN+Na"	64.015768
"1722413"	180.097893	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+NH4+HCOOH"	64.039293
"1184850"	61.675418	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+3Na"	68.967654
"1657659"	185.053288	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Na+HCOOH"	68.994688
"167801"	309.03624	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+2K-H"	76.91904
"607363"	425.09484	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+2K-H"	76.91904
"1097343"	192.97764	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2K-H"	76.91904
"153065"	155.021758	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"2M+2K"	77.926316
"593719"	213.051058	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"3M+2K"	77.926316
"1081513"	96.992458	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2K"	77.926316
"1113628"	194.992192	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2K+H"	78.933592
"1347827"	195.079807	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+DMSO+H"	79.021207
"1010899"	199.118976	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2ACN+H"	83.060376
"1526107"	200.112608	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+IsoProp+Na+H"	84.054008
"994381"	100.063126	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+2ACN+2H"	84.067652
"1591436"	201.027228	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+K+HCOOH"	84.968628
"1422206"	231.058738	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+H+CF3COOH"	115.000138
"1157960"	120.576401	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+3ACN+2H"	125.094202
"1702045"	248.085285	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+NH4+CF3COOH"	132.026685
"1635508"	253.04068	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+Na+CF3COOH"	136.98208
"1584281"	269.01462	"C16622"	"NN-Diacetylhydrazine;Diacetylhydrazine"	"C4H8N2O2"	"116.0586"	"M+K+CF3COOH"	152.95602
"802618"	180.0535	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M"	0
"975056"	161.03511	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-H2O-H"	-19.01839
"63299"	119.028390666667	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M-3H"	-3.021828
"508324"	179.046224	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M-3H"	-3.021828
"890136"	59.0105573333333	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-3H"	-3.021828
"12721"	179.046224	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M-2H"	-2.014552
"449731"	269.072974	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M-2H"	-2.014552
"823157"	89.019474	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-2H"	-2.014552
"85336"	359.099724	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M-H"	-1.007276
"525989"	539.153224	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M-H"	-1.007276
"907073"	179.046224	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-H"	-1.007276
"59989"	376.126271	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M-2H+NH4"	16.019271
"497727"	556.179771	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M-2H+NH4"	16.019271
"871155"	196.072771	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-2H+NH4"	16.019271
"34686"	381.081666	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M-2H+Na"	20.974666
"474246"	561.135166	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M-2H+Na"	20.974666
"854237"	201.028166	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-2H+Na"	20.974666
"1624862"	201.028166	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Na-2H"	20.974666
"101393"	197.034563	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M-H+Cl"	33.962126
"540952"	287.061313	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M-H+Cl"	33.962126
"934467"	107.007813	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-H+Cl"	33.962126
"278493"	395.076402	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+Cl"	34.969402
"670912"	575.129902	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+Cl"	34.969402
"1282222"	215.022902	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Cl"	34.969402
"22593"	397.055606	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M-2H+K"	36.948606
"466530"	577.109106	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M-2H+K"	36.948606
"843237"	217.002106	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-2H+K"	36.948606
"1563442"	217.002106	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+K-2H"	36.948606
"948045"	225.051694	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-H+HCOOH"	44.998194
"369545"	405.105201	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+HCOOH-H"	44.998201
"355617"	419.120851	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+Hac-H"	59.013851
"1506277"	239.067351	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Hac-H"	59.013851
"972362"	247.033651	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-H+NaCOOH"	66.980151
"120901"	215.022902	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+2Cl"	69.938804
"563748"	305.049652	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+2Cl"	69.938804
"1034006"	124.996152	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2Cl"	69.938804
"1256131"	258.972385	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Br"	78.918885
"1315662"	261.028372	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Cl+HCOOH"	80.974872
"1333157"	283.010329	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Cl+NaCOOH"	102.956829
"924582"	293.039086	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M-H+CF3COOH"	112.985586
"1299830"	329.015764	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Cl+CF3COOH"	148.962264
"1373622"	145.040824	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H-2H2O"	-35.012676
"1385285"	163.0508	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H-H2O"	-17.0027
"285333"	361.114276	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+H"	1.007276
"677760"	541.167776	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+H"	1.007276
"1354470"	181.060776	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H"	1.007276
"129183"	181.060776	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+2H"	2.014552
"573119"	271.087526	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+2H"	2.014552
"1041919"	91.034026	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2H"	2.014552
"207633"	121.042942666667	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+3H"	3.021828
"651566"	181.060776	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+3H"	3.021828
"1164225"	61.0251093333333	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+3H"	3.021828
"426404"	378.140823	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+NH4"	18.033823
"789590"	558.194323	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+NH4"	18.033823
"1683734"	198.087323	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+NH4"	18.033823
"336389"	189.5740495	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+H+NH4"	19.041099
"723826"	279.6007995	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+H+NH4"	19.041099
"1478619"	99.5472995	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H+NH4"	19.041099
"396937"	383.096218	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+Na"	22.989218
"754518"	563.149718	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+Na"	22.989218
"1605298"	203.042718	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Na"	22.989218
"315334"	192.051747	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+H+Na"	23.996494
"708119"	282.078497	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+H+Na"	23.996494
"1461815"	102.024997	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H+Na"	23.996494
"1052870"	68.3524233333333	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2H+Na"	25.00377
"1257463"	213.086986	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+CH3OH+H"	33.033486
"377542"	399.070158	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+K"	38.963158
"740444"	579.123658	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+K"	38.963158
"1539903"	219.016658	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+K"	38.963158
"299676"	200.038717	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+H+K"	39.970434
"692098"	290.065467	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+H+K"	39.970434
"1446279"	110.011967	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H+K"	39.970434
"235981"	402.140826	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+ACN+H"	42.033826
"1210221"	222.087326	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+ACN+H"	42.033826
"1198775"	111.547301	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+ACN+2H"	43.041102
"189456"	405.07816	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+2Na-H"	44.97116
"630355"	585.13166	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+2Na-H"	44.97116
"1133496"	225.02466	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2Na-H"	44.97116
"173460"	203.042718	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+2Na"	45.978436
"615004"	293.069468	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+2Na"	45.978436
"1116571"	113.015968	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2Na"	45.978436
"1399486"	75.6797373333333	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H+2Na"	46.985712
"1430193"	227.066246	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H+HCOOH"	47.012746
"220283"	208.07574	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+3H2O+2H"	56.04448
"1509361"	241.11829	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+IsoProp+H"	61.06479
"414895"	211.029688	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+Na+K"	61.952376
"772244"	301.056438	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+Na+K"	61.952376
"1667845"	121.002938	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Na+K"	61.952376
"253637"	424.122768	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+ACN+Na"	64.015768
"1234730"	244.069268	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+ACN+Na"	64.015768
"1722523"	244.092793	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+NH4+HCOOH"	64.039293
"1185690"	83.0070513333333	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+3Na"	68.967654
"1656675"	249.048188	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Na+HCOOH"	68.994688
"169736"	437.02604	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+2K-H"	76.91904
"605286"	617.07954	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+2K-H"	76.91904
"1091987"	256.97254	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2K-H"	76.91904
"150993"	219.016658	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"2M+2K"	77.926316
"586179"	309.043408	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"3M+2K"	77.926316
"1077253"	128.989908	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2K"	77.926316
"1109365"	258.987092	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2K+H"	78.933592
"1345753"	259.074707	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+DMSO+H"	79.021207
"1011009"	263.113876	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2ACN+H"	83.060376
"1524881"	264.107508	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+IsoProp+Na+H"	84.054008
"994491"	132.060576	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+2ACN+2H"	84.067652
"1590089"	265.022128	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+K+HCOOH"	84.968628
"1423409"	295.053638	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+H+CF3COOH"	115.000138
"1158070"	152.573851	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+3ACN+2H"	125.094202
"1705435"	312.080185	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+NH4+CF3COOH"	132.026685
"1641085"	317.03558	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+Na+CF3COOH"	136.98208
"1584391"	333.00952	"C16623"	"Isonicotinylglycine;Isonicotinuric acid"	"C8H8N2O3"	"180.0535"	"M+K+CF3COOH"	152.95602
"812573"	207.0644	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M"	0
"978449"	188.04601	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-H2O-H"	-19.01839
"65595"	137.035657333333	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M-3H"	-3.021828
"507342"	206.057124	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M-3H"	-3.021828
"887330"	68.0141906666667	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-3H"	-3.021828
"11373"	206.057124	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M-2H"	-2.014552
"447652"	309.589324	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M-2H"	-2.014552
"823269"	102.524924	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-2H"	-2.014552
"79252"	413.121524	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M-H"	-1.007276
"528288"	620.185924	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M-H"	-1.007276
"896735"	206.057124	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-H"	-1.007276
"50625"	430.148071	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M-2H+NH4"	16.019271
"498931"	637.212471	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M-2H+NH4"	16.019271
"870173"	223.083671	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-2H+NH4"	16.019271
"32243"	435.103466	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M-2H+Na"	20.974666
"475453"	642.167866	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M-2H+Na"	20.974666
"853257"	228.039066	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-2H+Na"	20.974666
"1624978"	228.039066	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Na-2H"	20.974666
"100412"	224.045463	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M-H+Cl"	33.962126
"539972"	327.577663	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M-H+Cl"	33.962126
"935673"	120.513263	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-H+Cl"	33.962126
"278604"	449.098202	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+Cl"	34.969402
"671027"	656.162602	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+Cl"	34.969402
"1283427"	242.033802	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Cl"	34.969402
"25986"	451.077406	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M-2H+K"	36.948606
"467734"	658.141806	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M-2H+K"	36.948606
"847356"	244.013006	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-2H+K"	36.948606
"1566833"	244.013006	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+K-2H"	36.948606
"956176"	252.062594	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-H+HCOOH"	44.998194
"369655"	459.127001	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+HCOOH-H"	44.998201
"354634"	473.142651	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+Hac-H"	59.013851
"1501282"	266.078251	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Hac-H"	59.013851
"969917"	274.044551	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-H+NaCOOH"	66.980151
"121011"	242.033802	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+2Cl"	69.938804
"563494"	345.566002	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+2Cl"	69.938804
"1034478"	138.501602	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2Cl"	69.938804
"1253324"	285.983285	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Br"	78.918885
"1313585"	288.039272	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Cl+HCOOH"	80.974872
"1333267"	310.021229	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Cl+NaCOOH"	102.956829
"925057"	320.049986	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M-H+CF3COOH"	112.985586
"1296661"	356.026664	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Cl+CF3COOH"	148.962264
"1372639"	172.051724	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H-2H2O"	-35.012676
"1390136"	190.0617	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H-H2O"	-17.0027
"287635"	415.136076	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+H"	1.007276
"678963"	622.200476	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+H"	1.007276
"1355310"	208.071676	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H"	1.007276
"131481"	208.071676	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+2H"	2.014552
"574322"	311.603876	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+2H"	2.014552
"1042028"	104.539476	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2H"	2.014552
"213210"	139.050209333333	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+3H"	3.021828
"652771"	208.071676	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+3H"	3.021828
"1165794"	70.0287426666667	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+3H"	3.021828
"428336"	432.162623	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+NH4"	18.033823
"787878"	639.227023	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+NH4"	18.033823
"1683846"	225.098223	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+NH4"	18.033823
"331753"	216.5849495	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+H+NH4"	19.041099
"725635"	320.1171495	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+H+NH4"	19.041099
"1477876"	113.0527495	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H+NH4"	19.041099
"393152"	437.118018	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+Na"	22.989218
"758039"	644.182418	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+Na"	22.989218
"1605409"	230.053618	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Na"	22.989218
"314507"	219.062647	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+H+Na"	23.996494
"708592"	322.594847	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+H+Na"	23.996494
"1463143"	115.530447	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H+Na"	23.996494
"1054323"	77.3560566666667	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2H+Na"	25.00377
"1257574"	240.097886	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+CH3OH+H"	33.033486
"377612"	453.091958	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+K"	38.963158
"738892"	660.156358	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+K"	38.963158
"1541515"	246.027558	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+K"	38.963158
"300512"	227.049617	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+H+K"	39.970434
"696217"	330.581817	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+H+K"	39.970434
"1445611"	123.517417	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H+K"	39.970434
"235749"	456.162626	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+ACN+H"	42.033826
"1211720"	249.098226	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+ACN+H"	42.033826
"1202897"	125.052751	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+ACN+2H"	43.041102
"191393"	459.09996	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+2Na-H"	44.97116
"632048"	666.16436	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+2Na-H"	44.97116
"1132515"	252.03556	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2Na-H"	44.97116
"172994"	230.053618	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+2Na"	45.978436
"614274"	333.585818	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+2Na"	45.978436
"1116280"	126.521418	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2Na"	45.978436
"1398747"	84.6833706666667	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H+2Na"	46.985712
"1431110"	254.077146	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H+HCOOH"	47.012746
"220057"	235.08664	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+3H2O+2H"	56.04448
"1514222"	268.12919	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+IsoProp+H"	61.06479
"418287"	238.040588	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+Na+K"	61.952376
"774543"	341.572788	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+Na+K"	61.952376
"1673425"	134.508388	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Na+K"	61.952376
"257758"	478.144568	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+ACN+Na"	64.015768
"1234841"	271.080168	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+ACN+Na"	64.015768
"1725186"	271.103693	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+NH4+HCOOH"	64.039293
"1187988"	92.0106846666667	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+3Na"	68.967654
"1656785"	276.059088	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Na+HCOOH"	68.994688
"166928"	491.04784	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+2K-H"	76.91904
"607584"	698.11224	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+2K-H"	76.91904
"1093189"	283.98344	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2K-H"	76.91904
"151100"	246.027558	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"2M+2K"	77.926316
"588475"	349.559758	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"3M+2K"	77.926316
"1077362"	142.495358	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2K"	77.926316
"1111664"	285.997992	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2K+H"	78.933592
"1348049"	286.085607	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+DMSO+H"	79.021207
"1008935"	290.124776	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2ACN+H"	83.060376
"1525965"	291.118408	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+IsoProp+Na+H"	84.054008
"993508"	145.566026	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+2ACN+2H"	84.067652
"1591292"	292.033028	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+K+HCOOH"	84.968628
"1425705"	322.064538	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+H+CF3COOH"	115.000138
"1158182"	166.079301	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+3ACN+2H"	125.094202
"1703358"	339.091085	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+NH4+CF3COOH"	132.026685
"1640102"	344.04648	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+Na+CF3COOH"	136.98208
"1584501"	360.02042	"C16624"	"Isoniazid pyruvate"	"C9H9N3O3"	"207.0644"	"M+K+CF3COOH"	152.95602
"806118"	265.0699	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M"	0
"975639"	246.05151	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-H2O-H"	-19.01839
"64612"	175.705990666667	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M-3H"	-3.021828
"505263"	264.062624	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M-3H"	-3.021828
"883066"	87.3493573333333	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-3H"	-3.021828
"9295"	264.062624	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M-2H"	-2.014552
"448855"	396.597574	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M-2H"	-2.014552
"823379"	131.527674	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-2H"	-2.014552
"79483"	529.132524	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M-H"	-1.007276
"528398"	794.202424	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M-H"	-1.007276
"899642"	264.062624	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-H"	-1.007276
"49637"	546.159071	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M-2H+NH4"	16.019271
"494667"	811.228971	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M-2H+NH4"	16.019271
"866636"	281.089171	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-2H+NH4"	16.019271
"32352"	551.114466	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M-2H+Na"	20.974666
"478843"	816.184366	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M-2H+Na"	20.974666
"855554"	286.044566	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-2H+Na"	20.974666
"1627276"	286.044566	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Na-2H"	20.974666
"100522"	282.050963	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M-H+Cl"	33.962126
"542269"	414.585913	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M-H+Cl"	33.962126
"936876"	149.516013	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-H+Cl"	33.962126
"279807"	565.109202	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+Cl"	34.969402
"671137"	830.179102	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+Cl"	34.969402
"1282443"	300.039302	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Cl"	34.969402
"27189"	567.088406	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M-2H+K"	36.948606
"467844"	832.158306	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M-2H+K"	36.948606
"846738"	302.018506	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-2H+K"	36.948606
"1568402"	302.018506	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+K-2H"	36.948606
"957258"	310.068094	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-H+HCOOH"	44.998194
"370858"	575.138001	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+HCOOH-H"	44.998201
"356930"	589.153651	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+Hac-H"	59.013851
"1502483"	324.083751	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Hac-H"	59.013851
"971851"	332.050051	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-H+NaCOOH"	66.980151
"121121"	300.039302	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+2Cl"	69.938804
"562867"	432.574252	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+2Cl"	69.938804
"1035314"	167.504352	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2Cl"	69.938804
"1253434"	343.988785	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Br"	78.918885
"1313695"	346.044772	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Cl+HCOOH"	80.974872
"1330097"	368.026729	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Cl+NaCOOH"	102.956829
"921519"	378.055486	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M-H+CF3COOH"	112.985586
"1296770"	414.032164	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Cl+CF3COOH"	148.962264
"1374935"	230.057224	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H-2H2O"	-35.012676
"1390246"	248.0672	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H-H2O"	-17.0027
"287745"	531.147076	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+H"	1.007276
"681259"	796.216976	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+H"	1.007276
"1355782"	266.077176	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H"	1.007276
"131590"	266.077176	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+2H"	2.014552
"570058"	398.612126	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+2H"	2.014552
"1044324"	133.542226	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2H"	2.014552
"211132"	177.720542666667	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+3H"	3.021828
"652881"	266.077176	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+3H"	3.021828
"1164566"	89.3639093333334	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+3H"	3.021828
"427717"	548.173623	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+NH4"	18.033823
"790904"	813.243523	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+NH4"	18.033823
"1682862"	283.103723	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+NH4"	18.033823
"334418"	274.5904495	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+H+NH4"	19.041099
"726474"	407.1253995	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+H+NH4"	19.041099
"1478469"	142.0554995	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H+NH4"	19.041099
"396058"	553.129018	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+Na"	22.989218
"755598"	818.198918	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+Na"	22.989218
"1605154"	288.059118	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Na"	22.989218
"316647"	277.068147	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+H+Na"	23.996494
"709554"	409.603097	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+H+Na"	23.996494
"1462034"	144.533197	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H+Na"	23.996494
"1054676"	96.6912233333333	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2H+Na"	25.00377
"1257445"	298.103386	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+CH3OH+H"	33.033486
"378451"	569.102958	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+K"	38.963158
"739571"	834.172858	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+K"	38.963158
"1542720"	304.033058	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+K"	38.963158
"300986"	285.055117	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+H+K"	39.970434
"693047"	417.590067	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+H+K"	39.970434
"1446870"	152.520167	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H+K"	39.970434
"236201"	572.173626	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+ACN+H"	42.033826
"1212924"	307.103726	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+ACN+H"	42.033826
"1201914"	154.055501	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+ACN+2H"	43.041102
"193689"	575.11096	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+2Na-H"	44.97116
"633252"	840.18086	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+2Na-H"	44.97116
"1135665"	310.04106	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2Na-H"	44.97116
"172971"	288.059118	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+2Na"	45.978436
"613286"	420.594068	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+2Na"	45.978436
"1116068"	155.524168	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2Na"	45.978436
"1399348"	104.018537333333	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H+2Na"	46.985712
"1431099"	312.082646	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H+HCOOH"	47.012746
"219992"	293.09214	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+3H2O+2H"	56.04448
"1514332"	326.13469	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+IsoProp+H"	61.06479
"417304"	296.046088	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+Na+K"	61.952376
"774289"	428.581038	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+Na+K"	61.952376
"1672442"	163.511138	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Na+K"	61.952376
"256774"	594.155568	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+ACN+Na"	64.015768
"1237137"	329.085668	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+ACN+Na"	64.015768
"1724931"	329.109193	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+NH4+HCOOH"	64.039293
"1189191"	111.345851333333	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+3Na"	68.967654
"1659082"	334.064588	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Na+HCOOH"	68.994688
"169225"	607.05884	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+2K-H"	76.91904
"609881"	872.12874	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+2K-H"	76.91904
"1093300"	341.98894	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2K-H"	76.91904
"152303"	304.033058	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"2M+2K"	77.926316
"588586"	436.568008	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"3M+2K"	77.926316
"1078566"	171.498108	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2K"	77.926316
"1110681"	344.003492	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2K+H"	78.933592
"1347066"	344.091107	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+DMSO+H"	79.021207
"1006856"	348.130276	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2ACN+H"	83.060376
"1524855"	349.123908	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+IsoProp+Na+H"	84.054008
"990336"	174.568776	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+2ACN+2H"	84.067652
"1589216"	350.038528	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+K+HCOOH"	84.968628
"1425815"	380.070038	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+H+CF3COOH"	115.000138
"1156105"	195.082051	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+3ACN+2H"	125.094202
"1701281"	397.096585	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+NH4+CF3COOH"	132.026685
"1636932"	402.05198	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+Na+CF3COOH"	136.98208
"1584611"	418.02592	"C16625"	"Isoniazid alpha-ketoglutaric acid"	"C11H11N3O5"	"265.0699"	"M+K+CF3COOH"	152.95602
"808416"	297.0783	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M"	0
"980854"	278.05991	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-H2O-H"	-19.01839
"64722"	197.044924	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M-3H"	-3.021828
"506466"	296.071024	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M-3H"	-3.021828
"883176"	98.018824	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-3H"	-3.021828
"9405"	296.071024	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M-2H"	-2.014552
"450060"	444.610174	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M-2H"	-2.014552
"823489"	147.531874	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-2H"	-2.014552
"82386"	593.149324	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M-H"	-1.007276
"528508"	890.227624	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M-H"	-1.007276
"901936"	296.071024	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-H"	-1.007276
"48779"	610.175871	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M-2H+NH4"	16.019271
"495870"	907.254171	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M-2H+NH4"	16.019271
"867473"	313.097571	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-2H+NH4"	16.019271
"32582"	615.131266	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M-2H+Na"	20.974666
"478953"	912.209566	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M-2H+Na"	20.974666
"855664"	318.052966	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-2H+Na"	20.974666
"1627386"	318.052966	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Na-2H"	20.974666
"103914"	314.059363	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M-H+Cl"	33.962126
"545659"	462.598513	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M-H+Cl"	33.962126
"939174"	165.520213	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-H+Cl"	33.962126
"280649"	629.126002	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+Cl"	34.969402
"673799"	926.204302	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+Cl"	34.969402
"1282553"	332.047702	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Cl"	34.969402
"29121"	631.105206	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M-2H+K"	36.948606
"467954"	928.183506	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M-2H+K"	36.948606
"848145"	334.026906	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-2H+K"	36.948606
"1569240"	334.026906	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+K-2H"	36.948606
"956396"	342.076494	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-H+HCOOH"	44.998194
"369875"	639.154801	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+HCOOH-H"	44.998201
"357040"	653.170451	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+Hac-H"	59.013851
"1502593"	356.092151	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Hac-H"	59.013851
"970503"	364.058451	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-H+NaCOOH"	66.980151
"124146"	332.047702	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+2Cl"	69.938804
"559695"	480.586852	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+2Cl"	69.938804
"1034331"	183.508552	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2Cl"	69.938804
"1251356"	375.997185	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Br"	78.918885
"1313805"	378.053172	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Cl+HCOOH"	80.974872
"1333124"	400.035129	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Cl+NaCOOH"	102.956829
"919079"	410.063886	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M-H+CF3COOH"	112.985586
"1297974"	446.040564	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Cl+CF3COOH"	148.962264
"1375042"	262.065624	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H-2H2O"	-35.012676
"1388168"	280.0756	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H-H2O"	-17.0027
"288948"	595.163876	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+H"	1.007276
"681369"	892.242176	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+H"	1.007276
"1352248"	298.085576	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H"	1.007276
"131701"	298.085576	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+2H"	2.014552
"572355"	446.624726	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+2H"	2.014552
"1044435"	149.546426	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2H"	2.014552
"211242"	199.059476	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+3H"	3.021828
"651896"	298.085576	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+3H"	3.021828
"1166012"	100.033376	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+3H"	3.021828
"427826"	612.190423	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+NH4"	18.033823
"794294"	909.268723	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+NH4"	18.033823
"1681880"	315.112123	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+NH4"	18.033823
"331250"	306.5988495	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+H+NH4"	19.041099
"724764"	455.1379995	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+H+NH4"	19.041099
"1478948"	158.0596995	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H+NH4"	19.041099
"393983"	617.145818	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+Na"	22.989218
"755709"	914.224118	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+Na"	22.989218
"1602952"	320.067518	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Na"	22.989218
"314448"	309.076547	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+H+Na"	23.996494
"707228"	457.615697	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+H+Na"	23.996494
"1461777"	160.537397	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H+Na"	23.996494
"1053079"	107.36069	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2H+Na"	25.00377
"1259018"	330.111786	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+CH3OH+H"	33.033486
"379416"	633.119758	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+K"	38.963158
"741140"	930.198058	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+K"	38.963158
"1542101"	336.041458	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+K"	38.963158
"302194"	317.063517	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+H+K"	39.970434
"694251"	465.602667	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+H+K"	39.970434
"1447338"	168.524367	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H+K"	39.970434
"237525"	636.190426	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+ACN+H"	42.033826
"1213034"	339.112126	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+ACN+H"	42.033826
"1204210"	170.059701	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+ACN+2H"	43.041102
"193799"	639.12776	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+2Na-H"	44.97116
"634455"	936.20606	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+2Na-H"	44.97116
"1135775"	342.04946	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2Na-H"	44.97116
"173837"	320.067518	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+2Na"	45.978436
"614004"	468.606668	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+2Na"	45.978436
"1116418"	171.528368	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2Na"	45.978436
"1399456"	114.688004	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H+2Na"	46.985712
"1431330"	344.091046	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H+HCOOH"	47.012746
"220543"	325.10054	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+3H2O+2H"	56.04448
"1512255"	358.14309	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+IsoProp+H"	61.06479
"409759"	328.054488	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+Na+K"	61.952376
"774035"	476.593638	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+Na+K"	61.952376
"1674739"	179.515338	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Na+K"	61.952376
"256884"	658.172368	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+ACN+Na"	64.015768
"1237247"	361.094068	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+ACN+Na"	64.015768
"1722855"	361.117593	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+NH4+HCOOH"	64.039293
"1190032"	122.015318	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+3Na"	68.967654
"1658100"	366.072988	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Na+HCOOH"	68.994688
"170918"	671.07564	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+2K-H"	76.91904
"609991"	968.15394	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+2K-H"	76.91904
"1094504"	373.99734	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2K-H"	76.91904
"153509"	336.041458	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"2M+2K"	77.926316
"590882"	484.580608	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"3M+2K"	77.926316
"1081956"	187.502308	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2K"	77.926316
"1111884"	376.011892	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2K+H"	78.933592
"1348877"	376.099507	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+DMSO+H"	79.021207
"1005749"	380.138676	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2ACN+H"	83.060376
"1524601"	381.132308	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+IsoProp+Na+H"	84.054008
"990931"	190.572976	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+2ACN+2H"	84.067652
"1589326"	382.046928	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+K+HCOOH"	84.968628
"1427020"	412.078438	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+H+CF3COOH"	115.000138
"1158402"	211.086251	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+3ACN+2H"	125.094202
"1704671"	429.104985	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+NH4+CF3COOH"	132.026685
"1638135"	434.06038	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+Na+CF3COOH"	136.98208
"1584721"	450.03432	"C16626"	"Albendazole sulfone"	"C12H15N3O4S"	"297.0783"	"M+K+CF3COOH"	152.95602
"808526"	239.0728	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M"	0
"979871"	220.05441	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-H2O-H"	-19.01839
"65925"	158.374590666667	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M-3H"	-3.021828
"506576"	238.065524	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M-3H"	-3.021828
"886566"	78.6836573333333	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-3H"	-3.021828
"12795"	238.065524	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M-2H"	-2.014552
"446888"	357.601924	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M-2H"	-2.014552
"829066"	118.529124	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-2H"	-2.014552
"86870"	477.138324	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M-H"	-1.007276
"528618"	716.211124	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M-H"	-1.007276
"905326"	238.065524	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-H"	-1.007276
"53141"	494.164871	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M-2H+NH4"	16.019271
"493794"	733.237671	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M-2H+NH4"	16.019271
"867587"	255.092071	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-2H+NH4"	16.019271
"34033"	499.120266	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M-2H+Na"	20.974666
"474810"	738.193066	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M-2H+Na"	20.974666
"853586"	260.047466	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-2H+Na"	20.974666
"1627494"	260.047466	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Na-2H"	20.974666
"106210"	256.053863	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M-H+Cl"	33.962126
"547955"	375.590263	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M-H+Cl"	33.962126
"939284"	136.517463	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-H+Cl"	33.962126
"280028"	513.115002	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+Cl"	34.969402
"673789"	752.187802	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+Cl"	34.969402
"1283756"	274.042202	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Cl"	34.969402
"30688"	515.094206	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M-2H+K"	36.948606
"468429"	754.167006	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M-2H+K"	36.948606
"847932"	276.021406	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-2H+K"	36.948606
"1570937"	276.021406	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+K-2H"	36.948606
"953954"	284.070994	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-H+HCOOH"	44.998194
"373265"	523.143801	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+HCOOH-H"	44.998201
"357150"	537.159451	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+Hac-H"	59.013851
"1502703"	298.086651	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Hac-H"	59.013851
"970613"	306.052951	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-H+NaCOOH"	66.980151
"124906"	274.042202	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+2Cl"	69.938804
"561992"	393.578602	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+2Cl"	69.938804
"1034444"	154.505802	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2Cl"	69.938804
"1252559"	317.991685	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Br"	78.918885
"1315008"	320.047672	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Cl+HCOOH"	80.974872
"1330318"	342.029629	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Cl+NaCOOH"	102.956829
"919189"	352.058386	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M-H+CF3COOH"	112.985586
"1300270"	388.035064	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Cl+CF3COOH"	148.962264
"1375152"	204.060124	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H-2H2O"	-35.012676
"1389371"	222.0701	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H-H2O"	-17.0027
"286870"	479.152876	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+H"	1.007276
"678197"	718.225676	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+H"	1.007276
"1353086"	240.080076	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H"	1.007276
"126826"	240.080076	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+2H"	2.014552
"572465"	359.616476	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+2H"	2.014552
"1040172"	120.543676	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2H"	2.014552
"208072"	160.389142666667	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+3H"	3.021828
"648726"	240.080076	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+3H"	3.021828
"1165027"	80.6982093333333	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+3H"	3.021828
"426113"	496.179423	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+NH4"	18.033823
"795497"	735.252223	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+NH4"	18.033823
"1684178"	257.106623	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+NH4"	18.033823
"331358"	248.5933495	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+H+NH4"	19.041099
"724874"	368.1297495	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+H+NH4"	19.041099
"1477966"	129.0569495	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H+NH4"	19.041099
"393485"	501.134818	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+Na"	22.989218
"756912"	740.207618	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+Na"	22.989218
"1604159"	262.062018	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Na"	22.989218
"315775"	251.071047	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+H+Na"	23.996494
"707294"	370.607447	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+H+Na"	23.996494
"1461416"	131.534647	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H+Na"	23.996494
"1052906"	88.0255233333333	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2H+Na"	25.00377
"1258764"	272.106286	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+CH3OH+H"	33.033486
"379526"	517.108758	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+K"	38.963158
"739550"	756.181558	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+K"	38.963158
"1540184"	278.035958	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+K"	38.963158
"300482"	259.058017	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+H+K"	39.970434
"694727"	378.594417	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+H+K"	39.970434
"1446721"	139.521617	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H+K"	39.970434
"237878"	520.179426	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+ACN+H"	42.033826
"1211687"	281.106626	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+ACN+H"	42.033826
"1205413"	141.056951	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+ACN+2H"	43.041102
"193909"	523.11676	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+2Na-H"	44.97116
"635658"	762.18956	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+2Na-H"	44.97116
"1135885"	284.04396	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2Na-H"	44.97116
"175160"	262.062018	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+2Na"	45.978436
"615445"	381.598418	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+2Na"	45.978436
"1120053"	142.525618	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2Na"	45.978436
"1399236"	95.3528373333333	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H+2Na"	46.985712
"1430380"	286.085546	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H+HCOOH"	47.012746
"224296"	267.09504	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+3H2O+2H"	56.04448
"1511268"	300.13759	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+IsoProp+H"	61.06479
"409622"	270.048988	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+Na+K"	61.952376
"774145"	389.585388	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+Na+K"	61.952376
"1671567"	150.512588	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Na+K"	61.952376
"259180"	542.161368	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+ACN+Na"	64.015768
"1231890"	303.088568	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+ACN+Na"	64.015768
"1722965"	303.112093	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+NH4+HCOOH"	64.039293
"1189412"	102.680151333333	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+3Na"	68.967654
"1659303"	308.067488	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Na+HCOOH"	68.994688
"168352"	555.06464	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+2K-H"	76.91904
"610100"	794.13744	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+2K-H"	76.91904
"1097894"	315.99184	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2K-H"	76.91904
"154712"	278.035958	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"2M+2K"	77.926316
"595244"	397.572358	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"3M+2K"	77.926316
"1083770"	158.499558	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2K"	77.926316
"1113817"	318.006392	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2K+H"	78.933592
"1349837"	318.094007	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+DMSO+H"	79.021207
"1012540"	322.133176	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2ACN+H"	83.060376
"1526292"	323.126808	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+IsoProp+Na+H"	84.054008
"993833"	161.570226	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+2ACN+2H"	84.067652
"1588707"	324.041428	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+K+HCOOH"	84.968628
"1427859"	354.072938	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+H+CF3COOH"	115.000138
"1159242"	182.083501	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+3ACN+2H"	125.094202
"1703688"	371.099485	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+NH4+CF3COOH"	132.026685
"1638245"	376.05488	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+Na+CF3COOH"	136.98208
"1584831"	392.02882	"C16627"	"Albendazole-2-aminosulfone"	"C10H13N3O2S"	"239.0728"	"M+K+CF3COOH"	152.95602
"815196"	313.0732	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M"	0
"985449"	294.05481	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H2O-H"	-19.01839
"71504"	207.708190666667	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-3H"	-3.021828
"507784"	312.065924	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-3H"	-3.021828
"887773"	103.350457333333	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-3H"	-3.021828
"10721"	312.065924	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H"	-2.014552
"451374"	468.602524	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H"	-2.014552
"819333"	155.529324	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H"	-2.014552
"86981"	625.139124	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-H"	-1.007276
"527635"	938.212324	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-H"	-1.007276
"904343"	312.065924	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H"	-1.007276
"60906"	642.165671	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H+NH4"	16.019271
"496091"	955.238871	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H+NH4"	16.019271
"873894"	329.092471	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H+NH4"	16.019271
"33048"	647.121066	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H+Na"	20.974666
"478079"	960.194266	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H+Na"	20.974666
"851510"	334.047866	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H+Na"	20.974666
"1626510"	334.047866	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na-2H"	20.974666
"105227"	330.054263	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-H+Cl"	33.962126
"544785"	486.590863	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-H+Cl"	33.962126
"937208"	173.517663	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+Cl"	33.962126
"279049"	661.115802	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Cl"	34.969402
"673291"	974.189002	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+Cl"	34.969402
"1286053"	348.042602	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl"	34.969402
"28613"	663.095006	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H+K"	36.948606
"470364"	976.168206	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H+K"	36.948606
"844882"	350.021806	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H+K"	36.948606
"1566183"	350.021806	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K-2H"	36.948606
"953701"	358.071394	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+HCOOH"	44.998194
"373011"	671.144601	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+HCOOH-H"	44.998201
"356167"	685.160251	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Hac-H"	59.013851
"1505735"	372.087051	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Hac-H"	59.013851
"972428"	380.053351	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+NaCOOH"	66.980151
"124370"	348.042602	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2Cl"	69.938804
"562102"	504.579202	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2Cl"	69.938804
"1029806"	191.506002	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2Cl"	69.938804
"1255954"	391.992085	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Br"	78.918885
"1319456"	394.048072	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl+HCOOH"	80.974872
"1333345"	416.030029	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl+NaCOOH"	102.956829
"920393"	426.058786	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+CF3COOH"	112.985586
"1296007"	462.035464	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl+CF3COOH"	148.962264
"1375262"	278.060524	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H-2H2O"	-35.012676
"1390577"	296.0705	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H-H2O"	-17.0027
"288075"	627.153676	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H"	1.007276
"677942"	940.226876	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H"	1.007276
"1353926"	314.080476	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H"	1.007276
"134108"	314.080476	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2H"	2.014552
"571483"	470.617076	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2H"	2.014552
"1040646"	157.543876	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2H"	2.014552
"205993"	209.722742666667	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+3H"	3.021828
"646650"	314.080476	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+3H"	3.021828
"1164774"	105.365009333333	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+3H"	3.021828
"425129"	644.180223	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+NH4"	18.033823
"794514"	957.253423	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+NH4"	18.033823
"1686476"	331.107023	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+NH4"	18.033823
"330743"	322.5937495	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H+NH4"	19.041099
"724378"	479.1303495	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H+NH4"	19.041099
"1479050"	166.0571495	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+NH4"	19.041099
"397487"	649.135618	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Na"	22.989218
"757388"	962.208818	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+Na"	22.989218
"1603784"	336.062418	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na"	22.989218
"315155"	325.071447	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H+Na"	23.996494
"707164"	481.608047	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H+Na"	23.996494
"1461350"	168.534847	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+Na"	23.996494
"1052863"	112.692323333333	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2H+Na"	25.00377
"1258873"	346.106686	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+CH3OH+H"	33.033486
"378542"	665.109558	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+K"	38.963158
"740269"	978.182758	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+K"	38.963158
"1540540"	352.036358	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K"	38.963158
"299174"	333.058417	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H+K"	39.970434
"692041"	489.595017	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H+K"	39.970434
"1446831"	176.521817	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+K"	39.970434
"236404"	668.180226	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+ACN+H"	42.033826
"1210703"	355.107026	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+ACN+H"	42.033826
"1198962"	178.057151	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+ACN+2H"	43.041102
"189642"	671.11756	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2Na-H"	44.97116
"630299"	984.19076	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2Na-H"	44.97116
"1132346"	358.04436	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2Na-H"	44.97116
"173200"	336.062418	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2Na"	45.978436
"614824"	492.599018	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2Na"	45.978436
"1116018"	179.525818	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2Na"	45.978436
"1398813"	120.019637333333	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+2Na"	46.985712
"1430076"	360.085946	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+HCOOH"	47.012746
"220310"	341.09544	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+3H2O+2H"	56.04448
"1510282"	374.13799	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+IsoProp+H"	61.06479
"413260"	344.049388	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Na+K"	61.952376
"777535"	500.585988	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+Na+K"	61.952376
"1673865"	187.512788	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na+K"	61.952376
"258198"	690.162168	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+ACN+Na"	64.015768
"1236376"	377.088968	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+ACN+Na"	64.015768
"1726357"	377.112493	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+NH4+HCOOH"	64.039293
"1189523"	127.346951333333	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+3Na"	68.967654
"1664397"	382.067888	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na+HCOOH"	68.994688
"169562"	703.06544	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2K-H"	76.91904
"609117"	1016.13864	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2K-H"	76.91904
"1094727"	389.99224	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2K-H"	76.91904
"152637"	352.036358	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2K"	77.926316
"595357"	508.572958	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2K"	77.926316
"1081691"	195.499758	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2K"	77.926316
"1114288"	392.006792	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2K+H"	78.933592
"1348369"	392.094407	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+DMSO+H"	79.021207
"1017021"	396.133576	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2ACN+H"	83.060376
"1526403"	397.127208	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+IsoProp+Na+H"	84.054008
"993213"	198.570426	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2ACN+2H"	84.067652
"1588574"	398.041828	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K+HCOOH"	84.968628
"1425049"	428.073338	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+CF3COOH"	115.000138
"1162148"	219.083701	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+3ACN+2H"	125.094202
"1709997"	445.099885	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+NH4+CF3COOH"	132.026685
"1643822"	450.05528	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na+CF3COOH"	136.98208
"1584941"	466.02922	"C16628"	"Albendazole-beta-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K+CF3COOH"	152.95602
"815310"	313.0732	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M"	0
"986656"	294.05481	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H2O-H"	-19.01839
"72712"	207.708190666667	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-3H"	-3.021828
"510084"	312.065924	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-3H"	-3.021828
"883511"	103.350457333333	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-3H"	-3.021828
"3179"	312.065924	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H"	-2.014552
"447111"	468.602524	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H"	-2.014552
"821635"	155.529324	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H"	-2.014552
"84907"	625.139124	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-H"	-1.007276
"525561"	938.212324	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-H"	-1.007276
"902268"	312.065924	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H"	-1.007276
"50809"	642.165671	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H+NH4"	16.019271
"491827"	955.238871	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H+NH4"	16.019271
"867079"	329.092471	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H+NH4"	16.019271
"34256"	647.121066	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H+Na"	20.974666
"478189"	960.194266	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H+Na"	20.974666
"857088"	334.047866	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H+Na"	20.974666
"1627717"	334.047866	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na-2H"	20.974666
"105705"	330.054263	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-H+Cl"	33.962126
"547087"	486.590863	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-H+Cl"	33.962126
"940603"	173.517663	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+Cl"	33.962126
"280254"	661.115802	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Cl"	34.969402
"672675"	974.189002	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+Cl"	34.969402
"1286172"	348.042602	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl"	34.969402
"29090"	663.095006	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M-2H+K"	36.948606
"469743"	976.168206	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M-2H+K"	36.948606
"844994"	350.021806	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-2H+K"	36.948606
"1568482"	350.021806	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K-2H"	36.948606
"957098"	358.071394	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+HCOOH"	44.998194
"373124"	671.144601	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+HCOOH-H"	44.998201
"357373"	685.160251	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Hac-H"	59.013851
"1504022"	372.087051	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Hac-H"	59.013851
"968280"	380.053351	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+NaCOOH"	66.980151
"122655"	348.042602	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2Cl"	69.938804
"561853"	504.579202	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2Cl"	69.938804
"1035393"	191.506002	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2Cl"	69.938804
"1255336"	391.992085	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Br"	78.918885
"1315958"	394.048072	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl+HCOOH"	80.974872
"1332361"	416.030029	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl+NaCOOH"	102.956829
"918317"	426.058786	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M-H+CF3COOH"	112.985586
"1296118"	462.035464	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Cl+CF3COOH"	148.962264
"1375376"	278.060524	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H-2H2O"	-35.012676
"1386311"	296.0705	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H-H2O"	-17.0027
"284538"	627.153676	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H"	1.007276
"689359"	940.226876	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H"	1.007276
"1360240"	314.080476	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H"	1.007276
"134951"	314.080476	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2H"	2.014552
"572688"	470.617076	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2H"	2.014552
"1048051"	157.543876	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2H"	2.014552
"209391"	209.722742666667	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+3H"	3.021828
"648950"	314.080476	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+3H"	3.021828
"1164158"	105.365009333333	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+3H"	3.021828
"432535"	644.180223	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+NH4"	18.033823
"792441"	957.253423	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+NH4"	18.033823
"1688773"	331.107023	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+NH4"	18.033823
"330325"	322.5937495	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H+NH4"	19.041099
"722898"	479.1303495	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H+NH4"	19.041099
"1477330"	166.0571495	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+NH4"	19.041099
"400877"	649.135618	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Na"	22.989218
"756405"	962.208818	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+Na"	22.989218
"1603894"	336.062418	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na"	22.989218
"315144"	325.071447	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H+Na"	23.996494
"707153"	481.608047	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H+Na"	23.996494
"1461501"	168.534847	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+Na"	23.996494
"1053043"	112.692323333333	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2H+Na"	25.00377
"1258253"	346.106686	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+CH3OH+H"	33.033486
"377922"	665.109558	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+K"	38.963158
"740010"	978.182758	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+K"	38.963158
"1542067"	352.036358	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K"	38.963158
"300700"	333.058417	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+H+K"	39.970434
"692759"	489.595017	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+H+K"	39.970434
"1446216"	176.521817	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+K"	39.970434
"240291"	668.180226	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+ACN+H"	42.033826
"1211298"	355.107026	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+ACN+H"	42.033826
"1199072"	178.057151	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+ACN+2H"	43.041102
"190842"	671.11756	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2Na-H"	44.97116
"630413"	984.19076	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2Na-H"	44.97116
"1132824"	358.04436	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2Na-H"	44.97116
"173434"	336.062418	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2Na"	45.978436
"613597"	492.599018	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2Na"	45.978436
"1116249"	179.525818	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2Na"	45.978436
"1398961"	120.019637333333	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+2Na"	46.985712
"1429959"	360.085946	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+HCOOH"	47.012746
"222695"	341.09544	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+3H2O+2H"	56.04448
"1509296"	374.13799	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+IsoProp+H"	61.06479
"418837"	344.049388	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+Na+K"	61.952376
"782385"	500.585988	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+Na+K"	61.952376
"1679082"	187.512788	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na+K"	61.952376
"259406"	690.162168	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+ACN+Na"	64.015768
"1237585"	377.088968	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+ACN+Na"	64.015768
"1725377"	377.112493	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+NH4+HCOOH"	64.039293
"1190730"	127.346951333333	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+3Na"	68.967654
"1660624"	382.067888	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na+HCOOH"	68.994688
"167484"	703.06544	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2K-H"	76.91904
"612516"	1016.13864	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2K-H"	76.91904
"1094839"	389.99224	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2K-H"	76.91904
"152747"	352.036358	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"2M+2K"	77.926316
"594494"	508.572958	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"3M+2K"	77.926316
"1082773"	195.499758	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2K"	77.926316
"1112214"	392.006792	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2K+H"	78.933592
"1340951"	392.094407	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+DMSO+H"	79.021207
"1011665"	396.133576	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2ACN+H"	83.060376
"1529794"	397.127208	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+IsoProp+Na+H"	84.054008
"992963"	198.570426	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+2ACN+2H"	84.067652
"1588684"	398.041828	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K+HCOOH"	84.968628
"1424069"	428.073338	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+H+CF3COOH"	115.000138
"1160554"	219.083701	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+3ACN+2H"	125.094202
"1706094"	445.099885	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+NH4+CF3COOH"	132.026685
"1640652"	450.05528	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+Na+CF3COOH"	136.98208
"1585051"	466.02922	"C16629"	"Albendazole-gamma-hydroxysulphone"	"C12H15N3O5S"	"313.0732"	"M+K+CF3COOH"	152.95602
"814325"	132.0335	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M"	0
"985670"	113.01511	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-H2O-H"	-19.01839
"73916"	87.0150573333333	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M-3H"	-3.021828
"511289"	131.026224	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M-3H"	-3.021828
"886901"	43.0038906666667	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-3H"	-3.021828
"3653"	131.026224	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M-2H"	-2.014552
"443940"	197.042974	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M-2H"	-2.014552
"822839"	65.009474	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-2H"	-2.014552
"80643"	263.059724	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M-H"	-1.007276
"521296"	395.093224	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M-H"	-1.007276
"900192"	131.026224	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-H"	-1.007276
"47639"	280.086271	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M-2H+NH4"	16.019271
"489751"	412.119771	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M-2H+NH4"	16.019271
"864405"	148.052771	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-2H+NH4"	16.019271
"34366"	285.041666	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M-2H+Na"	20.974666
"477206"	417.075166	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M-2H+Na"	20.974666
"859385"	153.008166	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-2H+Na"	20.974666
"1629286"	153.008166	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Na-2H"	20.974666
"109100"	149.014563	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M-H+Cl"	33.962126
"546104"	215.031313	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M-H+Cl"	33.962126
"941443"	82.997813	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-H+Cl"	33.962126
"282067"	299.036402	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+Cl"	34.969402
"673149"	431.069902	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+Cl"	34.969402
"1285917"	167.002902	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Cl"	34.969402
"30299"	301.015606	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M-2H+K"	36.948606
"469128"	433.049106	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M-2H+K"	36.948606
"846443"	168.982106	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-2H+K"	36.948606
"1568961"	168.982106	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+K-2H"	36.948606
"958026"	177.031694	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-H+HCOOH"	44.998194
"373966"	309.065201	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+HCOOH-H"	44.998201
"357850"	323.080851	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+Hac-H"	59.013851
"1504862"	191.047351	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Hac-H"	59.013851
"969851"	199.013651	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-H+NaCOOH"	66.980151
"122039"	167.002902	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+2Cl"	69.938804
"565244"	233.019652	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+2Cl"	69.938804
"1035140"	100.986152	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2Cl"	69.938804
"1252527"	210.952385	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Br"	78.918885
"1315337"	213.008372	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Cl+HCOOH"	80.974872
"1332836"	234.990329	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Cl+NaCOOH"	102.956829
"920613"	245.019086	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M-H+CF3COOH"	112.985586
"1296227"	280.995764	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Cl+CF3COOH"	148.962264
"1375486"	97.020824	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H-2H2O"	-35.012676
"1387514"	115.0308	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H-H2O"	-17.0027
"285377"	265.074276	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+H"	1.007276
"679622"	397.107776	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+H"	1.007276
"1363266"	133.040776	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H"	1.007276
"135061"	133.040776	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+2H"	2.014552
"573891"	199.057526	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+2H"	2.014552
"1048161"	67.024026	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2H"	2.014552
"210594"	89.0296093333333	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+3H"	3.021828
"649060"	133.040776	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+3H"	3.021828
"1163904"	45.0184426666667	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+3H"	3.021828
"432645"	282.100823	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+NH4"	18.033823
"794737"	414.134323	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+NH4"	18.033823
"1689976"	150.067323	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+NH4"	18.033823
"330355"	141.5540495	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+H+NH4"	19.041099
"723339"	207.5707995	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+H+NH4"	19.041099
"1478052"	75.5372995	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H+NH4"	19.041099
"398800"	287.056218	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+Na"	22.989218
"755785"	419.089718	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+Na"	22.989218
"1604003"	155.022718	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Na"	22.989218
"315011"	144.031747	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+H+Na"	23.996494
"707384"	210.048497	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+H+Na"	23.996494
"1461736"	78.014997	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H+Na"	23.996494
"1053887"	52.3457566666667	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2H+Na"	25.00377
"1258729"	165.066986	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+CH3OH+H"	33.033486
"379857"	303.030158	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+K"	38.963158
"740849"	435.063658	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+K"	38.963158
"1542176"	170.996658	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+K"	38.963158
"300078"	152.018717	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+H+K"	39.970434
"693595"	218.035467	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+H+K"	39.970434
"1447175"	86.001967	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H+K"	39.970434
"240401"	306.100826	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+ACN+H"	42.033826
"1212744"	174.067326	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+ACN+H"	42.033826
"1199182"	87.537301	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+ACN+2H"	43.041102
"189863"	309.03816	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+2Na-H"	44.97116
"630523"	441.07166	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+2Na-H"	44.97116
"1132933"	177.00466	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2Na-H"	44.97116
"174152"	155.022718	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+2Na"	45.978436
"613221"	221.039468	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+2Na"	45.978436
"1117088"	89.005968	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2Na"	45.978436
"1399639"	59.6730706666667	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H+2Na"	46.985712
"1430586"	179.046246	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H+HCOOH"	47.012746
"224628"	160.05574	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+3H2O+2H"	56.04448
"1509527"	193.09829	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+IsoProp+H"	61.06479
"411291"	163.009688	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+Na+K"	61.952376
"776660"	229.026438	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+Na+K"	61.952376
"1673720"	96.992938	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Na+K"	61.952376
"261702"	328.082768	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+ACN+Na"	64.015768
"1235505"	196.049268	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+ACN+Na"	64.015768
"1723300"	196.072793	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+NH4+HCOOH"	64.039293
"1189745"	67.0003846666667	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+3Na"	68.967654
"1659638"	201.028188	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Na+HCOOH"	68.994688
"168686"	340.98604	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+2K-H"	76.91904
"606060"	473.01954	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+2K-H"	76.91904
"1094949"	208.95254	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2K-H"	76.91904
"148484"	170.996658	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"2M+2K"	77.926316
"593511"	237.013408	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"3M+2K"	77.926316
"1082154"	104.979908	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2K"	77.926316
"1112323"	210.967092	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2K+H"	78.933592
"1341060"	211.054707	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+DMSO+H"	79.021207
"1007765"	215.093876	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2ACN+H"	83.060376
"1528811"	216.087508	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+IsoProp+Na+H"	84.054008
"993073"	108.050576	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+2ACN+2H"	84.067652
"1588673"	217.002128	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+K+HCOOH"	84.968628
"1424179"	247.033638	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+H+CF3COOH"	115.000138
"1159935"	128.563851	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+3ACN+2H"	125.094202
"1711674"	264.060185	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+NH4+CF3COOH"	132.026685
"1644042"	269.01558	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+Na+CF3COOH"	136.98208
"1585161"	284.98952	"C16630"	"56-Dihydro-5-fluorouracil;5-Fluorodihydrouracil"	"C4H5FN2O2"	"132.0335"	"M+K+CF3COOH"	152.95602
"816260"	150.0441	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M"	0
"988697"	131.02571	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-H2O-H"	-19.01839
"68555"	99.022124	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M-3H"	-3.021828
"505928"	149.036824	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M-3H"	-3.021828
"885915"	49.007424	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-3H"	-3.021828
"5582"	149.036824	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M-2H"	-2.014552
"451704"	224.058874	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M-2H"	-2.014552
"824042"	74.014774	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-2H"	-2.014552
"81846"	299.080924	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M-H"	-1.007276
"523593"	449.125024	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M-H"	-1.007276
"899208"	149.036824	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-H"	-1.007276
"48359"	316.107471	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M-2H+NH4"	16.019271
"489862"	466.151571	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M-2H+NH4"	16.019271
"867667"	166.063371	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-2H+NH4"	16.019271
"32531"	321.062866	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M-2H+Na"	20.974666
"475129"	471.106966	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M-2H+Na"	20.974666
"863714"	171.018766	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-2H+Na"	20.974666
"1633614"	171.018766	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Na-2H"	20.974666
"109211"	167.025163	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M-H+Cl"	33.962126
"548770"	242.047213	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M-H+Cl"	33.962126
"942613"	92.003113	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-H+Cl"	33.962126
"282183"	335.057602	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+Cl"	34.969402
"673623"	485.101702	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+Cl"	34.969402
"1287490"	185.013502	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Cl"	34.969402
"30047"	337.036806	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M-2H+K"	36.948606
"469968"	487.080906	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M-2H+K"	36.948606
"847900"	186.992706	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-2H+K"	36.948606
"1570053"	186.992706	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+K-2H"	36.948606
"956228"	195.042294	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-H+HCOOH"	44.998194
"375169"	345.086401	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+HCOOH-H"	44.998201
"359663"	359.102051	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+Hac-H"	59.013851
"1505335"	209.057951	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Hac-H"	59.013851
"969963"	217.024251	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-H+NaCOOH"	66.980151
"124581"	185.013502	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+2Cl"	69.938804
"563534"	260.035552	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+2Cl"	69.938804
"1035977"	109.991452	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2Cl"	69.938804
"1252637"	228.962985	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Br"	78.918885
"1316179"	231.018972	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Cl+HCOOH"	80.974872
"1334284"	253.000929	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Cl+NaCOOH"	102.956829
"920361"	263.029686	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M-H+CF3COOH"	112.985586
"1299985"	299.006364	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Cl+CF3COOH"	148.962264
"1375596"	115.031424	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H-2H2O"	-35.012676
"1394916"	133.0414	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H-H2O"	-17.0027
"294967"	301.095476	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+H"	1.007276
"685565"	451.139576	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+H"	1.007276
"1358634"	151.051376	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H"	1.007276
"141126"	151.051376	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+2H"	2.014552
"576554"	226.073426	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+2H"	2.014552
"1048271"	76.029326	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2H"	2.014552
"211797"	101.036676	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+3H"	3.021828
"649170"	151.051376	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+3H"	3.021828
"1165108"	51.021976	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+3H"	3.021828
"432755"	318.122023	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+NH4"	18.033823
"801170"	468.166123	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+NH4"	18.033823
"1694097"	168.077923	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+NH4"	18.033823
"331804"	159.5646495	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+H+NH4"	19.041099
"730787"	234.5866995	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+H+NH4"	19.041099
"1482419"	84.5425995	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H+NH4"	19.041099
"401098"	323.077418	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+Na"	22.989218
"756626"	473.121518	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+Na"	22.989218
"1604724"	173.033318	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Na"	22.989218
"315364"	162.042347	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+H+Na"	23.996494
"708394"	237.064397	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+H+Na"	23.996494
"1461848"	87.020297	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H+Na"	23.996494
"1053390"	58.34929	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2H+Na"	25.00377
"1259570"	183.077586	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+CH3OH+H"	33.033486
"378145"	339.051358	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+K"	38.963158
"740233"	489.095458	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+K"	38.963158
"1540825"	189.007258	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+K"	38.963158
"300190"	170.029317	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+H+K"	39.970434
"692976"	245.051367	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+H+K"	39.970434
"1446434"	95.007267	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H+K"	39.970434
"237226"	342.122026	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+ACN+H"	42.033826
"1214314"	192.077926	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+ACN+H"	42.033826
"1203667"	96.542601	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+ACN+2H"	43.041102
"194350"	345.05936	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+2Na-H"	44.97116
"639381"	495.10346	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+2Na-H"	44.97116
"1132436"	195.01526	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2Na-H"	44.97116
"175600"	173.033318	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+2Na"	45.978436
"613943"	248.055368	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+2Na"	45.978436
"1116363"	98.011268	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2Na"	45.978436
"1398782"	65.676604	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H+2Na"	46.985712
"1432856"	197.056846	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H+HCOOH"	47.012746
"222917"	178.06634	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+3H2O+2H"	56.04448
"1511709"	211.10889	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+IsoProp+H"	61.06479
"409574"	181.020288	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+Na+K"	61.952376
"773490"	256.042338	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+Na+K"	61.952376
"1667633"	105.998238	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Na+K"	61.952376
"260716"	364.103968	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+ACN+Na"	64.015768
"1233424"	214.059868	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+ACN+Na"	64.015768
"1724500"	214.083393	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+NH4+HCOOH"	64.039293
"1190948"	73.003918	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+3Na"	68.967654
"1663028"	219.038788	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Na+HCOOH"	68.994688
"169889"	377.00724	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+2K-H"	76.91904
"609451"	527.05134	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+2K-H"	76.91904
"1096882"	226.96314	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2K-H"	76.91904
"149687"	189.007258	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"2M+2K"	77.926316
"591434"	264.029308	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"3M+2K"	77.926316
"1081411"	113.985208	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2K"	77.926316
"1112433"	228.977692	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2K+H"	78.933592
"1338984"	229.065307	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+DMSO+H"	79.021207
"1009698"	233.104476	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2ACN+H"	83.060376
"1526004"	234.098108	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+IsoProp+Na+H"	84.054008
"993183"	117.055876	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+2ACN+2H"	84.067652
"1590969"	235.012728	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+K+HCOOH"	84.968628
"1425382"	265.044238	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+H+CF3COOH"	115.000138
"1160046"	137.569151	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+3ACN+2H"	125.094202
"1711055"	282.070785	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+NH4+CF3COOH"	132.026685
"1637592"	287.02618	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+Na+CF3COOH"	136.98208
"1585271"	303.00012	"C16631"	"alpha-Fluoro-beta-ureidopropionic acid;2-Fluoro-3-ureidopropionic acid"	"C4H7FN2O3"	"150.0441"	"M+K+CF3COOH"	152.95602
"814545"	107.0383	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M"	0
"982610"	88.01991	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-H2O-H"	-19.01839
"64655"	70.3515906666667	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M-3H"	-3.021828
"505305"	106.031024	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M-3H"	-3.021828
"883839"	34.6721573333333	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-3H"	-3.021828
"3505"	106.031024	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M-2H"	-2.014552
"443431"	159.550174	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M-2H"	-2.014552
"826336"	52.511874	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-2H"	-2.014552
"88516"	213.069324	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M-H"	-1.007276
"520423"	320.107624	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M-H"	-1.007276
"898225"	106.031024	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-H"	-1.007276
"47852"	230.095871	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M-2H+NH4"	16.019271
"489234"	337.134171	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M-2H+NH4"	16.019271
"864612"	123.057571	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-2H+NH4"	16.019271
"32274"	235.051266	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M-2H+Na"	20.974666
"475239"	342.089566	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M-2H+Na"	20.974666
"860697"	128.012966	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-2H+Na"	20.974666
"1633927"	128.012966	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Na-2H"	20.974666
"105671"	124.019363	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M-H+Cl"	33.962126
"547054"	177.538513	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M-H+Cl"	33.962126
"942158"	70.500213	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-H+Cl"	33.962126
"282492"	249.046002	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+Cl"	34.969402
"673732"	356.084302	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+Cl"	34.969402
"1287842"	142.007702	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Cl"	34.969402
"30764"	251.025206	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M-2H+K"	36.948606
"471050"	358.063506	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M-2H+K"	36.948606
"847882"	143.986906	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-2H+K"	36.948606
"1569543"	143.986906	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+K-2H"	36.948606
"957796"	152.036494	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-H+HCOOH"	44.998194
"374914"	259.074801	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+HCOOH-H"	44.998201
"359164"	273.090451	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+Hac-H"	59.013851
"1505444"	166.052151	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Hac-H"	59.013851
"970073"	174.018451	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-H+NaCOOH"	66.980151
"123719"	142.007702	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+2Cl"	69.938804
"564251"	195.526852	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+2Cl"	69.938804
"1034993"	88.488552	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2Cl"	69.938804
"1253475"	185.957185	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Br"	78.918885
"1316289"	188.013172	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Cl+HCOOH"	80.974872
"1332692"	209.995129	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Cl+NaCOOH"	102.956829
"918648"	220.023886	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M-H+CF3COOH"	112.985586
"1299729"	256.000564	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Cl+CF3COOH"	148.962264
"1373520"	72.025624	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H-2H2O"	-35.012676
"1392476"	90.0356	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H-H2O"	-17.0027
"293255"	215.083876	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+H"	1.007276
"684582"	322.122176	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+H"	1.007276
"1358379"	108.045576	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H"	1.007276
"141210"	108.045576	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+2H"	2.014552
"575935"	161.564726	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+2H"	2.014552
"1048381"	54.526426	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2H"	2.014552
"209721"	72.3661426666667	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+3H"	3.021828
"648187"	108.045576	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+3H"	3.021828
"1165218"	36.6867093333333	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+3H"	3.021828
"432865"	232.110423	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+NH4"	18.033823
"800062"	339.148723	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+NH4"	18.033823
"1693478"	125.072123	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+NH4"	18.033823
"331914"	116.5588495	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+H+NH4"	19.041099
"729804"	170.0779995	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+H+NH4"	19.041099
"1482529"	63.0396995	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H+NH4"	19.041099
"401208"	237.065818	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+Na"	22.989218
"756007"	344.104118	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+Na"	22.989218
"1604834"	130.027518	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Na"	22.989218
"315474"	119.036547	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+H+Na"	23.996494
"708504"	172.555697	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+H+Na"	23.996494
"1461593"	65.517397	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H+Na"	23.996494
"1053742"	44.0140233333333	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2H+Na"	25.00377
"1258221"	140.071786	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+CH3OH+H"	33.033486
"378255"	253.039758	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+K"	38.963158
"739615"	360.078058	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+K"	38.963158
"1540811"	146.001458	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+K"	38.963158
"299936"	127.023517	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+H+K"	39.970434
"691868"	180.542667	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+H+K"	39.970434
"1446055"	73.504367	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H+K"	39.970434
"236972"	256.110426	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+ACN+H"	42.033826
"1214424"	149.072126	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+ACN+H"	42.033826
"1200497"	75.039701	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+ACN+2H"	43.041102
"193367"	259.04776	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+2Na-H"	44.97116
"636211"	366.08606	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+2Na-H"	44.97116
"1132059"	152.00946	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2Na-H"	44.97116
"173035"	130.027518	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+2Na"	45.978436
"612862"	183.546668	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+2Na"	45.978436
"1116473"	76.508368	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2Na"	45.978436
"1398567"	51.3413373333333	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H+2Na"	46.985712
"1433330"	154.051046	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H+HCOOH"	47.012746
"223027"	135.06054	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+3H2O+2H"	56.04448
"1509750"	168.10309	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+IsoProp+H"	61.06479
"409319"	138.014488	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+Na+K"	61.952376
"770680"	191.533638	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+Na+K"	61.952376
"1667010"	84.495338	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Na+K"	61.952376
"258639"	278.092368	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+ACN+Na"	64.015768
"1233534"	171.054068	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+ACN+Na"	64.015768
"1719141"	171.077593	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+NH4+HCOOH"	64.039293
"1186684"	58.6686513333333	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+3Na"	68.967654
"1657669"	176.032988	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Na+HCOOH"	68.994688
"169999"	290.99564	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+2K-H"	76.91904
"609561"	398.03394	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+2K-H"	76.91904
"1097356"	183.95734	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2K-H"	76.91904
"149797"	146.001458	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"2M+2K"	77.926316
"590450"	199.520608	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"3M+2K"	77.926316
"1079335"	92.482308	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2K"	77.926316
"1110356"	185.971892	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2K+H"	78.933592
"1340187"	186.059507	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+DMSO+H"	79.021207
"1007014"	190.098676	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2ACN+H"	83.060376
"1527933"	191.092308	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+IsoProp+Na+H"	84.054008
"997667"	95.552976	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+2ACN+2H"	84.067652
"1589257"	192.006928	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+K+HCOOH"	84.968628
"1425492"	222.038438	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+H+CF3COOH"	115.000138
"1159791"	116.066251	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+3ACN+2H"	125.094202
"1711529"	239.064985	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+NH4+CF3COOH"	132.026685
"1640982"	244.02038	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+Na+CF3COOH"	136.98208
"1585381"	259.99432	"C16632"	"alpha-Fluoro-beta-alanine;3-Amino-2-fluoropropionic acid"	"C3H6FNO2"	"107.0383"	"M+K+CF3COOH"	152.95602
"809188"	262.0601	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M"	0
"982720"	243.04171	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-H2O-H"	-19.01839
"68775"	173.699457333333	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M-3H"	-3.021828
"506148"	261.052824	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M-3H"	-3.021828
"881760"	86.3460906666667	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-3H"	-3.021828
"2158"	261.052824	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M-2H"	-2.014552
"442811"	392.082874	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M-2H"	-2.014552
"823166"	130.022774	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-2H"	-2.014552
"85346"	523.112924	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M-H"	-1.007276
"519560"	785.173024	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M-H"	-1.007276
"895699"	261.052824	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-H"	-1.007276
"47474"	540.139471	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M-2H+NH4"	16.019271
"489099"	802.199571	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M-2H+NH4"	16.019271
"864512"	278.079371	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-2H+NH4"	16.019271
"33234"	545.094866	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M-2H+Na"	20.974666
"473162"	807.154966	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M-2H+Na"	20.974666
"857526"	283.034766	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-2H+Na"	20.974666
"1625968"	283.034766	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Na-2H"	20.974666
"108576"	279.041163	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M-H+Cl"	33.962126
"547528"	410.071213	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M-H+Cl"	33.962126
"941042"	148.011113	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-H+Cl"	33.962126
"280328"	559.089602	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+Cl"	34.969402
"674692"	821.149702	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+Cl"	34.969402
"1285879"	297.029502	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Cl"	34.969402
"25885"	561.068806	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M-2H+K"	36.948606
"467633"	823.128906	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M-2H+K"	36.948606
"843247"	299.008706	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-2H+K"	36.948606
"1567830"	299.008706	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+K-2H"	36.948606
"952433"	307.058294	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-H+HCOOH"	44.998194
"370648"	569.118401	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+HCOOH-H"	44.998201
"355626"	583.134051	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+Hac-H"	59.013851
"1502272"	321.073951	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Hac-H"	59.013851
"966536"	329.040251	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-H+NaCOOH"	66.980151
"117630"	297.029502	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+2Cl"	69.938804
"561930"	428.059552	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+2Cl"	69.938804
"1033279"	165.999452	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2Cl"	69.938804
"1252126"	340.978985	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Br"	78.918885
"1313482"	343.034972	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Cl+HCOOH"	80.974872
"1322233"	365.016929	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Cl+NaCOOH"	102.956829
"913288"	375.045686	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M-H+CF3COOH"	112.985586
"1290725"	411.022364	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Cl+CF3COOH"	148.962264
"1372536"	227.047424	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H-2H2O"	-35.012676
"1390034"	245.0574	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H-H2O"	-17.0027
"290813"	525.127476	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+H"	1.007276
"685057"	787.187576	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+H"	1.007276
"1357761"	263.067376	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H"	1.007276
"138672"	263.067376	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+2H"	2.014552
"573129"	394.097426	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+2H"	2.014552
"1040838"	132.037326	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2H"	2.014552
"206551"	175.714009333333	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+3H"	3.021828
"644527"	263.067376	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+3H"	3.021828
"1162935"	88.3606426666667	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+3H"	3.021828
"426415"	542.154023	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+NH4"	18.033823
"798352"	804.214123	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+NH4"	18.033823
"1689215"	280.093923	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+NH4"	18.033823
"331660"	271.5806495	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+H+NH4"	19.041099
"726998"	402.6106995	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+H+NH4"	19.041099
"1482639"	140.5505995	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H+NH4"	19.041099
"401318"	547.109418	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+Na"	22.989218
"754901"	809.169518	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+Na"	22.989218
"1603364"	285.049318	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Na"	22.989218
"315707"	274.058347	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+H+Na"	23.996494
"708615"	405.088397	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+H+Na"	23.996494
"1461318"	143.028297	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H+Na"	23.996494
"1055555"	95.6879566666667	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2H+Na"	25.00377
"1257478"	295.093586	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+CH3OH+H"	33.033486
"377753"	563.083358	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+K"	38.963158
"738624"	825.143458	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+K"	38.963158
"1539953"	301.023258	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+K"	38.963158
"298591"	282.045317	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+H+K"	39.970434
"691431"	413.075367	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+H+K"	39.970434
"1446290"	151.015267	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H+K"	39.970434
"237810"	566.154026	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+ACN+H"	42.033826
"1212347"	304.093926	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+ACN+H"	42.033826
"1199513"	152.550601	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+ACN+2H"	43.041102
"191290"	569.09136	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+2Na-H"	44.97116
"633041"	831.15146	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+2Na-H"	44.97116
"1131534"	307.03126	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2Na-H"	44.97116
"173386"	285.049318	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+2Na"	45.978436
"613272"	416.079368	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+2Na"	45.978436
"1115970"	154.019268	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2Na"	45.978436
"1398673"	103.015270666667	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H+2Na"	46.985712
"1434169"	309.072846	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H+HCOOH"	47.012746
"220826"	290.08234	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+3H2O+2H"	56.04448
"1508766"	323.12489	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+IsoProp+H"	61.06479
"408777"	293.036288	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+Na+K"	61.952376
"770911"	424.066338	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+Na+K"	61.952376
"1666391"	162.006238	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Na+K"	61.952376
"257655"	588.135968	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+ACN+Na"	64.015768
"1234737"	326.075868	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+ACN+Na"	64.015768
"1717063"	326.099393	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+NH4+HCOOH"	64.039293
"1179134"	110.342584666667	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+3Na"	68.967654
"1655592"	331.054788	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Na+HCOOH"	68.994688
"163547"	601.03924	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+2K-H"	76.91904
"610400"	863.09934	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+2K-H"	76.91904
"1097345"	338.97914	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2K-H"	76.91904
"147720"	301.023258	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"2M+2K"	77.926316
"590559"	432.053308	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"3M+2K"	77.926316
"1078352"	169.993208	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2K"	77.926316
"1108278"	340.993692	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2K+H"	78.933592
"1338473"	341.081307	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+DMSO+H"	79.021207
"1008096"	345.120476	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2ACN+H"	83.060376
"1528043"	346.114108	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+IsoProp+Na+H"	84.054008
"995590"	173.063876	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+2ACN+2H"	84.067652
"1591189"	347.028728	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+K+HCOOH"	84.968628
"1428887"	377.060238	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+H+CF3COOH"	115.000138
"1162747"	193.577151	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+3ACN+2H"	125.094202
"1712613"	394.086785	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+NH4+CF3COOH"	132.026685
"1644372"	399.04218	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+Na+CF3COOH"	136.98208
"1585491"	415.01612	"C16633"	"5-Fluorouridine"	"C9H11FN2O6"	"262.0601"	"M+K+CF3COOH"	152.95602
"809298"	342.0264	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M"	0
"976634"	323.00801	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-H2O-H"	-19.01839
"67790"	227.010324	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M-3H"	-3.021828
"504070"	341.019124	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M-3H"	-3.021828
"881872"	113.001524	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-3H"	-3.021828
"486"	341.019124	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M-2H"	-2.014552
"440247"	512.032324	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M-2H"	-2.014552
"823276"	170.005924	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-2H"	-2.014552
"79501"	683.045524	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M-H"	-1.007276
"518734"	1025.071924	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M-H"	-1.007276
"895958"	341.019124	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-H"	-1.007276
"47419"	700.072071	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M-2H+NH4"	16.019271
"487147"	1042.098471	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M-2H+NH4"	16.019271
"864279"	358.045671	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-2H+NH4"	16.019271
"31843"	705.027466	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M-2H+Na"	20.974666
"473272"	1047.053866	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M-2H+Na"	20.974666
"855448"	363.001066	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-2H+Na"	20.974666
"1624985"	363.001066	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Na-2H"	20.974666
"108565"	359.007463	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M-H+Cl"	33.962126
"547638"	530.020663	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M-H+Cl"	33.962126
"938965"	187.994263	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-H+Cl"	33.962126
"277521"	719.022202	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+Cl"	34.969402
"674923"	1061.048602	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+Cl"	34.969402
"1285989"	376.995802	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Cl"	34.969402
"25997"	721.001406	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M-2H+K"	36.948606
"465556"	1063.027806	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M-2H+K"	36.948606
"841171"	378.975006	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-2H+K"	36.948606
"1566847"	378.975006	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+K-2H"	36.948606
"951449"	387.024594	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-H+HCOOH"	44.998194
"370758"	729.051001	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+HCOOH-H"	44.998201
"355736"	743.066651	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+Hac-H"	59.013851
"1503475"	401.040251	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Hac-H"	59.013851
"966646"	409.006551	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-H+NaCOOH"	66.980151
"117740"	376.995802	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+2Cl"	69.938804
"563496"	548.009002	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+2Cl"	69.938804
"1034117"	205.982602	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2Cl"	69.938804
"1251143"	420.945285	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Br"	78.918885
"1313595"	423.001272	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Cl+HCOOH"	80.974872
"1324526"	444.983229	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Cl+NaCOOH"	102.956829
"913398"	455.011986	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M-H+CF3COOH"	112.985586
"1292293"	490.988664	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Cl+CF3COOH"	148.962264
"1372646"	307.013724	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H-2H2O"	-35.012676
"1390144"	325.0237	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H-H2O"	-17.0027
"290923"	685.060076	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+H"	1.007276
"684802"	1027.086476	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+H"	1.007276
"1356412"	343.033676	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H"	1.007276
"135502"	343.033676	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+2H"	2.014552
"569959"	514.046876	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+2H"	2.014552
"1042041"	172.020476	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2H"	2.014552
"204752"	229.024876	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+3H"	3.021828
"645000"	343.033676	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+3H"	3.021828
"1162961"	115.016076	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+3H"	3.021828
"425432"	702.086623	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+NH4"	18.033823
"798462"	1044.113023	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+NH4"	18.033823
"1690419"	360.060223	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+NH4"	18.033823
"332863"	351.5469495	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+H+NH4"	19.041099
"725650"	522.5601495	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+H+NH4"	19.041099
"1482749"	180.5337495	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H+NH4"	19.041099
"401428"	707.042018	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+Na"	22.989218
"755132"	1049.068418	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+Na"	22.989218
"1603022"	365.015618	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Na"	22.989218
"315209"	354.024647	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+H+Na"	23.996494
"711884"	525.037847	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+H+Na"	23.996494
"1462177"	183.011447	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H+Na"	23.996494
"1057851"	122.34339	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2H+Na"	25.00377
"1258561"	375.059886	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+CH3OH+H"	33.033486
"378591"	723.015958	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+K"	38.963158
"738978"	1065.042358	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+K"	38.963158
"1540137"	380.989558	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+K"	38.963158
"299093"	362.011617	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+H+K"	39.970434
"691961"	533.024817	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+H+K"	39.970434
"1445783"	190.998417	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H+K"	39.970434
"237919"	726.086626	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+ACN+H"	42.033826
"1210634"	384.060226	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+ACN+H"	42.033826
"1197437"	192.533751	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+ACN+2H"	43.041102
"189699"	729.02396	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+2Na-H"	44.97116
"633151"	1071.05036	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+2Na-H"	44.97116
"1131625"	386.99756	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2Na-H"	44.97116
"172896"	365.015618	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+2Na"	45.978436
"612849"	536.028818	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+2Na"	45.978436
"1115675"	194.002418	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2Na"	45.978436
"1398495"	129.670704	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H+2Na"	46.985712
"1433186"	389.039146	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H+HCOOH"	47.012746
"223976"	370.04864	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+3H2O+2H"	56.04448
"1509851"	403.09119	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+IsoProp+H"	61.06479
"409539"	373.002588	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+Na+K"	61.952376
"770900"	544.015788	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+Na+K"	61.952376
"1666501"	201.989388	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Na+K"	61.952376
"257764"	748.068568	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+ACN+Na"	64.015768
"1232660"	406.042168	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+ACN+Na"	64.015768
"1716078"	406.065693	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+NH4+HCOOH"	64.039293
"1181432"	136.998018	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+3Na"	68.967654
"1654608"	411.021088	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Na+HCOOH"	68.994688
"159281"	760.97184	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+2K-H"	76.91904
"606499"	1102.99824	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+2K-H"	76.91904
"1095389"	418.94544	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2K-H"	76.91904
"146736"	380.989558	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"2M+2K"	77.926316
"587389"	552.002758	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"3M+2K"	77.926316
"1077368"	209.976358	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2K"	77.926316
"1108388"	420.959992	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2K+H"	78.933592
"1336518"	421.047607	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+DMSO+H"	79.021207
"1006748"	425.086776	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2ACN+H"	83.060376
"1525966"	426.080408	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+IsoProp+Na+H"	84.054008
"996793"	213.047026	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+2ACN+2H"	84.067652
"1592393"	426.995028	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+K+HCOOH"	84.968628
"1428266"	457.026538	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+H+CF3COOH"	115.000138
"1161833"	233.560301	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+3ACN+2H"	125.094202
"1711385"	474.053085	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+NH4+CF3COOH"	132.026685
"1641202"	479.00848	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+Na+CF3COOH"	136.98208
"1585601"	494.98242	"C16634"	"5-Fluorouridine monophosphate"	"C9H12FN2O9P"	"342.0264"	"M+K+CF3COOH"	152.95602
"814877"	245.0812	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M"	0
"979660"	226.06281	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-H2O-H"	-19.01839
"66809"	162.380190666667	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M-3H"	-3.021828
"504180"	244.073924	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M-3H"	-3.021828
"880519"	80.6864573333333	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-3H"	-3.021828
"2745"	244.073924	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M-2H"	-2.014552
"442304"	366.614524	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M-2H"	-2.014552
"817677"	121.533324	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-2H"	-2.014552
"79121"	489.155124	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M-H"	-1.007276
"518964"	734.236324	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M-H"	-1.007276
"896474"	244.073924	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-H"	-1.007276
"47812"	506.181671	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M-2H+NH4"	16.019271
"488467"	751.262871	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M-2H+NH4"	16.019271
"864486"	261.100471	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-2H+NH4"	16.019271
"32483"	511.137066	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M-2H+Na"	20.974666
"474475"	756.218266	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M-2H+Na"	20.974666
"854465"	266.055866	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-2H+Na"	20.974666
"1625095"	266.055866	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Na-2H"	20.974666
"104908"	262.062263	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M-H+Cl"	33.962126
"543373"	384.602863	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M-H+Cl"	33.962126
"938709"	139.521663	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-H+Cl"	33.962126
"279818"	525.131802	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+Cl"	34.969402
"673819"	770.213002	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+Cl"	34.969402
"1287074"	280.050602	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Cl"	34.969402
"27200"	527.111006	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M-2H+K"	36.948606
"465668"	772.192206	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M-2H+K"	36.948606
"844562"	282.029806	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-2H+K"	36.948606
"1565864"	282.029806	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+K-2H"	36.948606
"954839"	290.079394	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-H+HCOOH"	44.998194
"369773"	535.160601	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+HCOOH-H"	44.998201
"352565"	549.176251	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+Hac-H"	59.013851
"1504679"	304.095051	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Hac-H"	59.013851
"968943"	312.061351	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-H+NaCOOH"	66.980151
"121497"	280.050602	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+2Cl"	69.938804
"562878"	402.591202	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+2Cl"	69.938804
"1032770"	157.510002	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2Cl"	69.938804
"1250159"	324.000085	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Br"	78.918885
"1317350"	326.056072	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Cl+HCOOH"	80.974872
"1329012"	348.038029	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Cl+NaCOOH"	102.956829
"914968"	358.066786	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M-H+CF3COOH"	112.985586
"1293498"	394.043464	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Cl+CF3COOH"	148.962264
"1374943"	210.068524	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H-2H2O"	-35.012676
"1385150"	228.0785	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H-H2O"	-17.0027
"287751"	491.169676	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+H"	1.007276
"680172"	736.250876	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+H"	1.007276
"1353605"	246.088476	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H"	1.007276
"131600"	246.088476	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+2H"	2.014552
"572254"	368.629076	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+2H"	2.014552
"1043245"	123.547876	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2H"	2.014552
"208958"	164.394742666667	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+3H"	3.021828
"649610"	246.088476	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+3H"	3.021828
"1163115"	82.7010093333333	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+3H"	3.021828
"425294"	508.196223	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+NH4"	18.033823
"798568"	753.277423	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+NH4"	18.033823
"1693808"	263.115023	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+NH4"	18.033823
"336619"	254.6017495	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+H+NH4"	19.041099
"726854"	377.1423495	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+H+NH4"	19.041099
"1485046"	132.0611495	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H+NH4"	19.041099
"401538"	513.151618	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+Na"	22.989218
"755972"	758.232818	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+Na"	22.989218
"1603581"	268.070418	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Na"	22.989218
"323946"	257.079447	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+H+Na"	23.996494
"719650"	379.620047	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+H+Na"	23.996494
"1468366"	134.538847	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H+Na"	23.996494
"1059060"	90.0283233333333	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2H+Na"	25.00377
"1259280"	278.114686	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+CH3OH+H"	33.033486
"379313"	529.125558	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+K"	38.963158
"739942"	774.206758	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+K"	38.963158
"1541265"	284.044358	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+K"	38.963158
"298930"	265.066417	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+H+K"	39.970434
"691955"	387.607017	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+H+K"	39.970434
"1445896"	142.525817	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H+K"	39.970434
"238034"	532.196226	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+ACN+H"	42.033826
"1212931"	287.115026	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+ACN+H"	42.033826
"1197546"	144.061151	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+ACN+2H"	43.041102
"189324"	535.13356	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+2Na-H"	44.97116
"633261"	780.21476	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+2Na-H"	44.97116
"1131478"	290.05236	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2Na-H"	44.97116
"172940"	268.070418	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+2Na"	45.978436
"613661"	390.611018	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+2Na"	45.978436
"1115624"	145.529818	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2Na"	45.978436
"1398737"	97.3556373333333	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H+2Na"	46.985712
"1429961"	292.093946	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H+HCOOH"	47.012746
"222993"	273.10344	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+3H2O+2H"	56.04448
"1508742"	306.14599	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+IsoProp+H"	61.06479
"409284"	276.057388	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+Na+K"	61.952376
"769995"	398.597988	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+Na+K"	61.952376
"1665596"	153.516788	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Na+K"	61.952376
"253500"	554.178168	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+ACN+Na"	64.015768
"1232770"	309.096968	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+ACN+Na"	64.015768
"1716188"	309.120493	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+NH4+HCOOH"	64.039293
"1181906"	104.682951333333	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+3Na"	68.967654
"1654718"	314.075888	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Na+HCOOH"	68.994688
"158660"	567.08144	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+2K-H"	76.91904
"607702"	812.16264	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+2K-H"	76.91904
"1096230"	322.00024	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2K-H"	76.91904
"143930"	284.044358	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"2M+2K"	77.926316
"585312"	406.584958	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"3M+2K"	77.926316
"1075291"	161.503758	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2K"	77.926316
"1108499"	324.014792	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2K+H"	78.933592
"1336505"	324.102407	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+DMSO+H"	79.021207
"1006370"	328.141576	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2ACN+H"	83.060376
"1527169"	329.135208	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+IsoProp+Na+H"	84.054008
"993623"	164.574426	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+2ACN+2H"	84.067652
"1587148"	330.049828	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+K+HCOOH"	84.968628
"1428010"	360.081338	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+H+CF3COOH"	115.000138
"1161579"	185.087701	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+3ACN+2H"	125.094202
"1710036"	377.107885	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+NH4+CF3COOH"	132.026685
"1641312"	382.06328	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+Na+CF3COOH"	136.98208
"1585711"	398.03722	"C16635"	"5-Deoxy-5-fluorocytidine"	"C9H12FN3O4"	"245.0812"	"M+K+CF3COOH"	152.95602
"805143"	214.0242	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M"	0
"977580"	195.00581	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-H2O-H"	-19.01839
"64849"	141.675524	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M-3H"	-3.021828
"502984"	213.016924	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M-3H"	-3.021828
"880264"	70.334124	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-3H"	-3.021828
"89"	213.016924	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H"	-2.014552
"440218"	320.029024	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H"	-2.014552
"818027"	106.004824	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H"	-2.014552
"78735"	427.041124	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M-H"	-1.007276
"519887"	641.065324	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M-H"	-1.007276
"895864"	213.016924	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-H"	-1.007276
"47559"	444.067671	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+NH4"	16.019271
"487534"	658.091871	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+NH4"	16.019271
"864356"	230.043471	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+NH4"	16.019271
"31854"	449.023066	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+Na"	20.974666
"476773"	663.047266	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+Na"	20.974666
"860046"	234.998866	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+Na"	20.974666
"1627391"	234.998866	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na-2H"	20.974666
"105013"	231.005263	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M-H+Cl"	33.962126
"547125"	338.017363	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M-H+Cl"	33.962126
"937359"	123.993163	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+Cl"	33.962126
"276645"	463.017802	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Cl"	34.969402
"670157"	677.042002	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+Cl"	34.969402
"1281475"	248.993602	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl"	34.969402
"21844"	464.997006	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M-2H+K"	36.948606
"463589"	679.021206	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M-2H+K"	36.948606
"840297"	250.972806	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-2H+K"	36.948606
"1563785"	250.972806	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+K-2H"	36.948606
"951667"	259.022394	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+HCOOH"	44.998194
"365511"	473.046601	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+HCOOH-H"	44.998201
"349757"	487.062251	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Hac-H"	59.013851
"1502601"	273.038051	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Hac-H"	59.013851
"967956"	281.004351	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+NaCOOH"	66.980151
"123062"	248.993602	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Cl"	69.938804
"562256"	356.005702	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Cl"	69.938804
"1031421"	141.981502	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2Cl"	69.938804
"1251364"	292.943085	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Br"	78.918885
"1312719"	294.999072	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+HCOOH"	80.974872
"1330213"	316.981029	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+NaCOOH"	102.956829
"919084"	327.009786	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M-H+CF3COOH"	112.985586
"1295798"	362.986464	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Cl+CF3COOH"	148.962264
"1371773"	179.011524	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H-2H2O"	-35.012676
"1389267"	197.0215	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H-H2O"	-17.0027
"288951"	429.055676	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H"	1.007276
"680283"	643.079876	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H"	1.007276
"1354810"	215.031476	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H"	1.007276
"127698"	215.031476	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2H"	2.014552
"574554"	322.043576	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2H"	2.014552
"1043355"	108.019376	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2H"	2.014552
"210161"	143.690076	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H"	3.021828
"646440"	215.031476	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+3H"	3.021828
"1163105"	72.348676	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+3H"	3.021828
"428932"	446.082223	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+NH4"	18.033823
"794302"	660.106423	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+NH4"	18.033823
"1688448"	232.058023	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4"	18.033823
"336728"	223.5447495	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+NH4"	19.041099
"730243"	330.5568495	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+NH4"	19.041099
"1482968"	116.5326495	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+NH4"	19.041099
"399460"	451.037618	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na"	22.989218
"758270"	665.061818	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na"	22.989218
"1612926"	237.013418	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na"	22.989218
"324056"	226.022447	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+Na"	23.996494
"722636"	333.034547	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+Na"	23.996494
"1468112"	119.010347	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+Na"	23.996494
"1054189"	79.67599	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2H+Na"	25.00377
"1260848"	247.057686	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+CH3OH+H"	33.033486
"381610"	467.011558	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+K"	38.963158
"742608"	681.035758	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+K"	38.963158
"1542106"	252.987358	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+K"	38.963158
"300378"	234.009417	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+H+K"	39.970434
"691712"	341.021517	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+H+K"	39.970434
"1453554"	126.997317	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+K"	39.970434
"238875"	470.082226	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+H"	42.033826
"1211585"	256.058026	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+H"	42.033826
"1196926"	128.532651	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+2H"	43.041102
"189679"	473.01956	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na-H"	44.97116
"630333"	687.04376	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na-H"	44.97116
"1131646"	258.99536	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na-H"	44.97116
"173724"	237.013418	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2Na"	45.978436
"619729"	344.025518	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2Na"	45.978436
"1116548"	130.001318	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2Na"	45.978436
"1398853"	87.003304	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+2Na"	46.985712
"1439970"	261.036946	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+HCOOH"	47.012746
"226384"	242.04644	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+3H2O+2H"	56.04448
"1511172"	275.08899	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+H"	61.06479
"409763"	245.000388	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+Na+K"	61.952376
"771853"	352.012488	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+Na+K"	61.952376
"1665992"	137.988288	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+K"	61.952376
"251593"	492.064168	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+ACN+Na"	64.015768
"1232882"	278.039968	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+ACN+Na"	64.015768
"1716299"	278.063493	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+HCOOH"	64.039293
"1183842"	94.330618	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+3Na"	68.967654
"1652641"	283.018888	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+HCOOH"	68.994688
"160598"	504.96744	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K-H"	76.91904
"607818"	718.99164	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K-H"	76.91904
"1090507"	290.94324	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2K-H"	76.91904
"146958"	252.987358	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"2M+2K"	77.926316
"584330"	359.999458	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"3M+2K"	77.926316
"1070056"	145.975258	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2K"	77.926316
"1100718"	292.957792	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2K+H"	78.933592
"1337712"	293.045407	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+DMSO+H"	79.021207
"1005690"	297.084576	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+H"	83.060376
"1525462"	298.078208	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+IsoProp+Na+H"	84.054008
"993733"	149.045926	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+2ACN+2H"	84.067652
"1600273"	298.992828	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+K+HCOOH"	84.968628
"1428119"	329.024338	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+H+CF3COOH"	115.000138
"1162542"	169.559201	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+3ACN+2H"	125.094202
"1711968"	346.050885	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+NH4+CF3COOH"	132.026685
"1644701"	351.00628	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+Na+CF3COOH"	136.98208
"1585822"	366.98022	"C16637"	"5-Deoxyribose-1-phosphate;5-Deoxy-alpha-D-ribose-1-phosphate"	"C5H11O7P"	"214.0242"	"M+K+CF3COOH"	152.95602
"804160"	150.0528	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M"	0
"975505"	131.03441	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"63183"	99.027924	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"505494"	149.045524	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"882202"	49.010324	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"446"	149.045524	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"441068"	224.071924	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"818505"	74.019124	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"81294"	299.098324	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"520003"	449.151124	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"897808"	149.045524	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"47556"	316.124871	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"488337"	466.177671	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"865409"	166.072071	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"39512"	321.080266	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"483451"	471.133066	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"857971"	171.027466	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1626408"	171.027466	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"102936"	167.033863	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"546871"	242.060263	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"940022"	92.007463	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"276392"	335.075002	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"673194"	485.127802	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1283772"	185.022202	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"20860"	337.054206	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"464793"	487.107006	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"843687"	187.001406	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1564989"	187.001406	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"949591"	195.050994	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"363799"	345.103801	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"348413"	359.119451	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1499432"	209.066651	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"963691"	217.032951	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"118065"	185.022202	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"555442"	260.048602	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1032624"	109.995802	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1247101"	228.971685	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1309549"	231.027672	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1321581"	253.009629	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"915921"	263.038386	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1292630"	299.015064	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1370788"	115.040124	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1389376"	133.0501	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"285054"	301.112876	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"680392"	451.165676	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1354560"	151.060076	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"134014"	151.060076	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"572478"	226.086476	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1044559"	76.033676	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"212459"	101.042476	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"648738"	151.060076	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1164676"	51.024876	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"424790"	318.139423	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"793323"	468.192223	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1687464"	168.086623	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"343395"	159.5733495	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"729256"	234.5997495	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1483076"	84.5469495	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"401754"	323.094818	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"762750"	473.147618	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1617409"	173.042018	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"325258"	162.051047	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"717680"	237.077447	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1463118"	87.024647	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1054908"	58.35219	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1260959"	183.086286	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"381721"	339.068758	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"740527"	489.121558	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1541852"	189.015958	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"308517"	170.038017	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"698750"	245.064417	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1454761"	95.011617	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"240085"	342.139426	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1212792"	192.086626	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1198136"	96.546951	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"199391"	345.07676	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"637858"	495.12956	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1132734"	195.02396	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"181010"	173.042018	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"620934"	248.068418	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1120063"	98.015618	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1410150"	65.679504	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1441174"	197.065546	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"228691"	178.07504	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1512378"	211.11759	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"412062"	181.028988	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"778525"	256.055388	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1670481"	106.002588	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"259189"	364.121368	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1231900"	214.068568	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1724068"	214.092093	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1187235"	73.006818	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1662596"	219.047488	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"167274"	377.02464	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"607563"	527.07744	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1093533"	226.97184	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"147067"	189.015958	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"583345"	264.042358	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1068586"	113.989558	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1100827"	228.986392	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1336849"	229.074007	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1011459"	233.113176	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1530678"	234.106808	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"1001510"	117.060226	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1601115"	235.021428	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1424950"	265.052938	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1161435"	137.573501	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1708069"	282.079485	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1643723"	287.03488	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1585933"	303.00882	"C16639"	"beta-D-Ribofuranose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"803177"	214.1933	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M"	0
"976708"	195.17491	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-H2O-H"	-19.01839
"65305"	141.788257333333	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M-3H"	-3.021828
"506697"	213.186024	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M-3H"	-3.021828
"882312"	70.3904906666667	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-3H"	-3.021828
"1247"	213.186024	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M-2H"	-2.014552
"441291"	320.282674	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M-2H"	-2.014552
"817391"	106.089374	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-2H"	-2.014552
"81162"	427.379324	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M-H"	-1.007276
"519625"	641.572624	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M-H"	-1.007276
"895920"	213.186024	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-H"	-1.007276
"47911"	444.405871	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M-2H+NH4"	16.019271
"488079"	658.599171	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M-2H+NH4"	16.019271
"865519"	230.212571	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-2H+NH4"	16.019271
"38528"	449.361266	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M-2H+Na"	20.974666
"483561"	663.554566	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M-2H+Na"	20.974666
"860267"	235.167966	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-2H+Na"	20.974666
"1626518"	235.167966	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Na-2H"	20.974666
"103046"	231.174363	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M-H+Cl"	33.962126
"544429"	338.271013	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M-H+Cl"	33.962126
"937580"	124.077713	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-H+Cl"	33.962126
"279782"	463.356002	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+Cl"	34.969402
"674519"	677.549302	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+Cl"	34.969402
"1284976"	249.162702	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Cl"	34.969402
"23157"	465.335206	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M-2H+K"	36.948606
"467089"	679.528506	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M-2H+K"	36.948606
"842704"	251.141906	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-2H+K"	36.948606
"1562912"	251.141906	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+K-2H"	36.948606
"949701"	259.191494	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-H+HCOOH"	44.998194
"364638"	473.384801	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+HCOOH-H"	44.998201
"349617"	487.400451	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+Hac-H"	59.013851
"1496262"	273.207151	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Hac-H"	59.013851
"963801"	281.173451	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-H+NaCOOH"	66.980151
"121455"	249.162702	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+2Cl"	69.938804
"556643"	356.259352	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+2Cl"	69.938804
"1030912"	142.066052	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2Cl"	69.938804
"1247211"	293.112185	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Br"	78.918885
"1310022"	295.168172	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Cl+HCOOH"	80.974872
"1323879"	317.150129	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Cl+NaCOOH"	102.956829
"916030"	327.178886	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M-H+CF3COOH"	112.985586
"1291647"	363.155564	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Cl+CF3COOH"	148.962264
"1370170"	179.180624	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H-2H2O"	-35.012676
"1389487"	197.1906	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H-H2O"	-17.0027
"284800"	429.393876	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+H"	1.007276
"680502"	643.587176	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+H"	1.007276
"1354670"	215.200576	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H"	1.007276
"135217"	215.200576	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+2H"	2.014552
"571494"	322.297226	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+2H"	2.014552
"1045763"	108.103926	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2H"	2.014552
"210382"	143.802809333333	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+3H"	3.021828
"647755"	215.200576	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+3H"	3.021828
"1165880"	72.4050426666667	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+3H"	3.021828
"424820"	446.420423	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+NH4"	18.033823
"787722"	660.613723	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+NH4"	18.033823
"1685388"	232.227123	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+NH4"	18.033823
"332571"	223.7138495	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+H+NH4"	19.041099
"724994"	330.8104995	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+H+NH4"	19.041099
"1479907"	116.6171995	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H+NH4"	19.041099
"404052"	451.375818	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+Na"	22.989218
"755205"	665.569118	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+Na"	22.989218
"1603787"	237.182518	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Na"	22.989218
"319900"	226.191547	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+H+Na"	23.996494
"714509"	333.288197	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+H+Na"	23.996494
"1462256"	119.094897	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H+Na"	23.996494
"1054289"	79.7323566666667	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2H+Na"	25.00377
"1259247"	247.226786	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+CH3OH+H"	33.033486
"378915"	467.349758	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+K"	38.963158
"739181"	681.543058	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+K"	38.963158
"1541234"	253.156458	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+K"	38.963158
"307533"	234.178517	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+H+K"	39.970434
"698860"	341.275167	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+H+K"	39.970434
"1453779"	127.081867	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H+K"	39.970434
"239102"	470.420426	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+ACN+H"	42.033826
"1212902"	256.227126	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+ACN+H"	42.033826
"1197882"	128.617201	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+ACN+2H"	43.041102
"199501"	473.35776	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+2Na-H"	44.97116
"637968"	687.55106	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+2Na-H"	44.97116
"1133816"	259.16446	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2Na-H"	44.97116
"185859"	237.182518	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+2Na"	45.978436
"621044"	344.279168	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+2Na"	45.978436
"1120537"	130.085868	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2Na"	45.978436
"1406980"	87.0596706666667	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H+2Na"	46.985712
"1439097"	261.206046	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H+HCOOH"	47.012746
"228801"	242.21554	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+3H2O+2H"	56.04448
"1512488"	275.25809	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+IsoProp+H"	61.06479
"412172"	245.169488	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+Na+K"	61.952376
"778635"	352.266138	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+Na+K"	61.952376
"1669498"	138.072838	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Na+K"	61.952376
"259299"	492.402368	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+ACN+Na"	64.015768
"1233103"	278.209068	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+ACN+Na"	64.015768
"1720898"	278.232593	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+NH4+HCOOH"	64.039293
"1187345"	94.3869846666667	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+3Na"	68.967654
"1662706"	283.187988	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Na+HCOOH"	68.994688
"168113"	505.30564	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+2K-H"	76.91904
"606944"	719.49894	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+2K-H"	76.91904
"1094373"	291.11234	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2K-H"	76.91904
"147177"	253.156458	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"2M+2K"	77.926316
"585641"	360.253108	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"3M+2K"	77.926316
"1069297"	146.059808	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2K"	77.926316
"1100936"	293.126892	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2K+H"	78.933592
"1337688"	293.214507	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+DMSO+H"	79.021207
"1011569"	297.253676	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2ACN+H"	83.060376
"1530788"	298.247308	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+IsoProp+Na+H"	84.054008
"1002713"	149.130476	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+2ACN+2H"	84.067652
"1600496"	299.161928	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+K+HCOOH"	84.968628
"1422873"	329.193438	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+H+CF3COOH"	115.000138
"1161909"	169.643751	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+3ACN+2H"	125.094202
"1707086"	346.219985	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+NH4+CF3COOH"	132.026685
"1646020"	351.17538	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+Na+CF3COOH"	136.98208
"1586043"	367.14932	"C16640"	"CAI-1;Cholerae autoinducer-1"	"C13H26O2"	"214.1933"	"M+K+CF3COOH"	152.95602
"804380"	586.2791	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M"	0
"976089"	567.26071	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-H2O-H"	-19.01839
"64324"	389.845457333333	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M-3H"	-3.021828
"506071"	585.271824	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M-3H"	-3.021828
"880435"	194.419090666667	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-3H"	-3.021828
"1842"	585.271824	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M-2H"	-2.014552
"440554"	878.411374	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M-2H"	-2.014552
"817176"	292.132274	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-2H"	-2.014552
"81636"	1171.550924	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M-H"	-1.007276
"519373"	1757.830024	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M-H"	-1.007276
"895685"	585.271824	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-H"	-1.007276
"48998"	1188.577471	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M-2H+NH4"	16.019271
"489287"	1774.856571	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M-2H+NH4"	16.019271
"864903"	602.298371	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-2H+NH4"	16.019271
"36451"	1193.532866	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M-2H+Na"	20.974666
"478199"	1779.811966	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M-2H+Na"	20.974666
"861106"	607.253766	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-2H+Na"	20.974666
"1627721"	607.253766	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Na-2H"	20.974666
"100969"	603.260163	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M-H+Cl"	33.962126
"544902"	896.399713	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M-H+Cl"	33.962126
"938418"	310.120613	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-H+Cl"	33.962126
"277340"	1207.527602	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+Cl"	34.969402
"671588"	1793.806702	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+Cl"	34.969402
"1281804"	621.248502	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Cl"	34.969402
"23266"	1209.506806	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M-2H+K"	36.948606
"461732"	1795.785906	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M-2H+K"	36.948606
"837711"	623.227706	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-2H+K"	36.948606
"1561929"	623.227706	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+K-2H"	36.948606
"947625"	631.277294	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-H+HCOOH"	44.998194
"366936"	1217.556401	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+HCOOH-H"	44.998201
"348634"	1231.572051	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+Hac-H"	59.013851
"1498559"	645.292951	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Hac-H"	59.013851
"965005"	653.259251	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-H+NaCOOH"	66.980151
"118285"	621.248502	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+2Cl"	69.938804
"553474"	914.388052	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+2Cl"	69.938804
"1026647"	328.108952	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2Cl"	69.938804
"1246228"	665.197985	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Br"	78.918885
"1307946"	667.253972	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Cl+HCOOH"	80.974872
"1323989"	689.235929	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Cl+NaCOOH"	102.956829
"912982"	699.264686	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M-H+CF3COOH"	112.985586
"1291757"	735.241364	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Cl+CF3COOH"	148.962264
"1369188"	551.266424	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H-2H2O"	-35.012676
"1386318"	569.2764	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H-H2O"	-17.0027
"284181"	1173.565476	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+H"	1.007276
"677333"	1759.844576	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+H"	1.007276
"1354780"	587.286376	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H"	1.007276
"133138"	587.286376	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+2H"	2.014552
"570511"	880.425926	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+2H"	2.014552
"1045873"	294.146826	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2H"	2.014552
"209763"	391.860009333333	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+3H"	3.021828
"647865"	587.286376	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+3H"	3.021828
"1169270"	196.433642666667	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+3H"	3.021828
"425011"	1190.592023	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+NH4"	18.033823
"788076"	1776.871123	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+NH4"	18.033823
"1683311"	604.312923	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+NH4"	18.033823
"333774"	595.7996495	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+H+NH4"	19.041099
"724738"	888.9391995	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+H+NH4"	19.041099
"1478923"	302.6600995	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H+NH4"	19.041099
"405255"	1195.547418	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+Na"	22.989218
"755679"	1781.826518	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+Na"	22.989218
"1604506"	609.268318	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Na"	22.989218
"320010"	598.277347	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+H+Na"	23.996494
"717899"	891.416897	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+H+Na"	23.996494
"1465158"	305.137797	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H+Na"	23.996494
"1059865"	203.760956666667	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2H+Na"	25.00377
"1257898"	619.312586	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+CH3OH+H"	33.033486
"378296"	1211.521358	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+K"	38.963158
"743302"	1797.800458	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+K"	38.963158
"1541709"	625.242258	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+K"	38.963158
"308736"	606.264317	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+H+K"	39.970434
"693866"	899.403867	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+H+K"	39.970434
"1454980"	313.124767	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H+K"	39.970434
"240303"	1214.592026	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+ACN+H"	42.033826
"1214105"	628.312926	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+ACN+H"	42.033826
"1197992"	314.660101	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+ACN+2H"	43.041102
"199611"	1217.52936	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+2Na-H"	44.97116
"638078"	1803.80846	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+2Na-H"	44.97116
"1134290"	631.25026	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2Na-H"	44.97116
"184875"	609.268318	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+2Na"	45.978436
"621154"	902.407868	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+2Na"	45.978436
"1121375"	316.128768	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2Na"	45.978436
"1407090"	211.088270666667	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H+2Na"	46.985712
"1442487"	633.291846	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H+HCOOH"	47.012746
"230004"	614.30134	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+3H2O+2H"	56.04448
"1513691"	647.34389	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+IsoProp+H"	61.06479
"412282"	617.255288	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+Na+K"	61.952376
"778381"	910.394838	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+Na+K"	61.952376
"1669608"	324.115738	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Na+K"	61.952376
"259409"	1236.573968	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+ACN+Na"	64.015768
"1236493"	650.294868	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+ACN+Na"	64.015768
"1724288"	650.318393	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+NH4+HCOOH"	64.039293
"1185266"	218.415584666667	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+3Na"	68.967654
"1662816"	655.273788	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Na+HCOOH"	68.994688
"168587"	1249.47724	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+2K-H"	76.91904
"607783"	1835.75634	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+2K-H"	76.91904
"1095576"	663.19814	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2K-H"	76.91904
"148380"	625.242258	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"2M+2K"	77.926316
"585750"	918.381808	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"3M+2K"	77.926316
"1069413"	332.102708	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2K"	77.926316
"1100925"	665.212692	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2K+H"	78.933592
"1337069"	665.300307	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+DMSO+H"	79.021207
"1011679"	669.339476	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2ACN+H"	83.060376
"1530898"	670.333108	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+IsoProp+Na+H"	84.054008
"1003796"	335.173376	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+2ACN+2H"	84.067652
"1600607"	671.247728	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+K+HCOOH"	84.968628
"1422983"	701.279238	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+H+CF3COOH"	115.000138
"1162019"	355.686651	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+3ACN+2H"	125.094202
"1708289"	718.305785	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+NH4+CF3COOH"	132.026685
"1643943"	723.26118	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+Na+CF3COOH"	136.98208
"1586153"	739.23512	"C16641"	"Irinotecan"	"C33H38N4O6"	"586.2791"	"M+K+CF3COOH"	152.95602
"803397"	461.1686	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M"	0
"976928"	442.15021	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-H2O-H"	-19.01839
"63002"	306.438457333333	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M-3H"	-3.021828
"503037"	460.161324	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M-3H"	-3.021828
"880099"	152.715590666667	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-3H"	-3.021828
"44"	460.161324	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H"	-2.014552
"439987"	690.745624	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H"	-2.014552
"817150"	229.577024	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H"	-2.014552
"80654"	921.329924	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M-H"	-1.007276
"518595"	1382.498524	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M-H"	-1.007276
"896065"	460.161324	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-H"	-1.007276
"51296"	938.356471	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H+NH4"	16.019271
"491949"	1399.525071	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H+NH4"	16.019271
"867565"	477.187871	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H+NH4"	16.019271
"35468"	943.311866	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H+Na"	20.974666
"476122"	1404.480466	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H+Na"	20.974666
"859394"	482.143266	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H+Na"	20.974666
"1626738"	482.143266	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na-2H"	20.974666
"101079"	478.149663	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M-H+Cl"	33.962126
"543555"	708.733963	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M-H+Cl"	33.962126
"938164"	247.565363	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+Cl"	33.962126
"277814"	957.306602	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Cl"	34.969402
"671698"	1418.475202	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+Cl"	34.969402
"1279727"	496.138002	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl"	34.969402
"22283"	959.285806	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M-2H+K"	36.948606
"461839"	1420.454406	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M-2H+K"	36.948606
"840005"	498.117206	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-2H+K"	36.948606
"1558759"	498.117206	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+K-2H"	36.948606
"946642"	506.166794	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+HCOOH"	44.998194
"365953"	967.335401	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+HCOOH-H"	44.998201
"349838"	981.351051	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Hac-H"	59.013851
"1497576"	520.182451	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Hac-H"	59.013851
"961106"	528.148751	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+NaCOOH"	66.980151
"115114"	496.138002	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2Cl"	69.938804
"553219"	726.722302	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2Cl"	69.938804
"1027849"	265.553702	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2Cl"	69.938804
"1245973"	540.087485	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Br"	78.918885
"1308055"	542.143472	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl+HCOOH"	80.974872
"1326281"	564.125429	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl+NaCOOH"	102.956829
"914065"	574.154186	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M-H+CF3COOH"	112.985586
"1291867"	610.130864	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Cl+CF3COOH"	148.962264
"1370391"	426.155924	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H-2H2O"	-35.012676
"1388615"	444.1659	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H-H2O"	-17.0027
"284655"	923.344476	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H"	1.007276
"677441"	1384.513076	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H"	1.007276
"1354890"	462.175876	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H"	1.007276
"133248"	462.175876	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2H"	2.014552
"567705"	692.760176	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2H"	2.014552
"1044890"	231.591576	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2H"	2.014552
"208416"	308.453009333333	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+3H"	3.021828
"651255"	462.175876	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+3H"	3.021828
"1169380"	154.730142666667	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+3H"	3.021828
"425365"	940.371023	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+NH4"	18.033823
"788185"	1401.539623	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+NH4"	18.033823
"1682691"	479.202423	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+NH4"	18.033823
"333884"	470.6891495	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H+NH4"	19.041099
"725214"	701.2734495	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H+NH4"	19.041099
"1478424"	240.1048495	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+NH4"	19.041099
"405365"	945.326418	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Na"	22.989218
"758705"	1406.495018	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+Na"	22.989218
"1607896"	484.157818	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na"	22.989218
"321213"	473.166847	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H+Na"	23.996494
"715822"	703.751147	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H+Na"	23.996494
"1463445"	242.582547	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+Na"	23.996494
"1060704"	162.057456666667	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2H+Na"	25.00377
"1257399"	494.202086	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+CH3OH+H"	33.033486
"380229"	961.300358	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+K"	38.963158
"740131"	1422.468958	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+K"	38.963158
"1541821"	500.131758	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+K"	38.963158
"308846"	481.153817	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+H+K"	39.970434
"692518"	711.738117	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+H+K"	39.970434
"1455090"	250.569517	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+K"	39.970434
"240413"	964.371026	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+ACN+H"	42.033826
"1214215"	503.202426	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+ACN+H"	42.033826
"1198102"	252.104851	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+ACN+2H"	43.041102
"189880"	967.30836	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2Na-H"	44.97116
"637095"	1428.47696	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2Na-H"	44.97116
"1134036"	506.13976	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2Na-H"	44.97116
"177330"	484.157818	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2Na"	45.978436
"617982"	714.742118	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2Na"	45.978436
"1119663"	253.573518	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2Na"	45.978436
"1401728"	169.384770666667	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+2Na"	46.985712
"1441504"	508.181346	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+HCOOH"	47.012746
"230114"	489.19084	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+3H2O+2H"	56.04448
"1511615"	522.23339	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+IsoProp+H"	61.06479
"410569"	492.144788	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+Na+K"	61.952376
"773387"	722.729088	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+Na+K"	61.952376
"1669718"	261.560488	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na+K"	61.952376
"256239"	986.352968	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+ACN+Na"	64.015768
"1233322"	525.184368	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+ACN+Na"	64.015768
"1721118"	525.207893	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+NH4+HCOOH"	64.039293
"1180273"	176.712084666667	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+3Na"	68.967654
"1660740"	530.163288	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na+HCOOH"	68.994688
"167969"	999.25624	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2K-H"	76.91904
"607894"	1460.42484	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2K-H"	76.91904
"1095322"	538.08764	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2K-H"	76.91904
"147397"	500.131758	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"2M+2K"	77.926316
"582943"	730.716058	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"3M+2K"	77.926316
"1068577"	269.547458	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2K"	77.926316
"1102496"	540.102192	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2K+H"	78.933592
"1337058"	540.189807	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+DMSO+H"	79.021207
"1009596"	544.228976	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2ACN+H"	83.060376
"1524216"	545.222608	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+IsoProp+Na+H"	84.054008
"1003782"	272.618126	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+2ACN+2H"	84.067652
"1602418"	546.137228	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+K+HCOOH"	84.968628
"1423093"	576.168738	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+H+CF3COOH"	115.000138
"1161036"	293.131401	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+3ACN+2H"	125.094202
"1707306"	593.195285	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+NH4+CF3COOH"	132.026685
"1645146"	598.15068	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+Na+CF3COOH"	136.98208
"1586263"	614.12462	"C16643"	"Morphine-3-glucuronide"	"C23H27NO9"	"461.1686"	"M+K+CF3COOH"	152.95602
"804600"	198.0892	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M"	0
"978496"	179.07081	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-H2O-H"	-19.01839
"65277"	131.052190666667	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M-3H"	-3.021828
"503862"	197.081924	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M-3H"	-3.021828
"884826"	65.0224573333333	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-3H"	-3.021828
"2311"	197.081924	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M-2H"	-2.014552
"441872"	296.126524	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M-2H"	-2.014552
"817132"	98.037324	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-2H"	-2.014552
"86231"	395.171124	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M-H"	-1.007276
"523604"	593.260324	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M-H"	-1.007276
"900310"	197.081924	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-H"	-1.007276
"56873"	412.197671	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M-2H+NH4"	16.019271
"493152"	610.286871	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M-2H+NH4"	16.019271
"873871"	214.108471	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-2H+NH4"	16.019271
"41774"	417.153066	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M-2H+Na"	20.974666
"481698"	615.242266	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M-2H+Na"	20.974666
"862057"	219.063866	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-2H+Na"	20.974666
"1630127"	219.063866	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Na-2H"	20.974666
"105198"	215.070263	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M-H+Cl"	33.962126
"545852"	314.114863	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M-H+Cl"	33.962126
"939731"	116.025663	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-H+Cl"	33.962126
"281450"	431.147802	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+Cl"	34.969402
"670715"	629.237002	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+Cl"	34.969402
"1282024"	233.058602	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Cl"	34.969402
"22027"	433.127006	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M-2H+K"	36.948606
"463405"	631.216206	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M-2H+K"	36.948606
"840115"	235.037806	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-2H+K"	36.948606
"1559958"	235.037806	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+K-2H"	36.948606
"948939"	243.087394	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-H+HCOOH"	44.998194
"363876"	441.176601	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+HCOOH-H"	44.998201
"349948"	455.192251	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+Hac-H"	59.013851
"1495499"	257.103051	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Hac-H"	59.013851
"963039"	265.069351	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-H+NaCOOH"	66.980151
"116318"	233.058602	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+2Cl"	69.938804
"555881"	332.103202	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+2Cl"	69.938804
"1030148"	134.014002	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2Cl"	69.938804
"1248635"	277.008085	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Br"	78.918885
"1309988"	279.064072	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Cl+HCOOH"	80.974872
"1325662"	301.046029	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Cl+NaCOOH"	102.956829
"914539"	311.074786	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M-H+CF3COOH"	112.985586
"1291977"	347.051464	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Cl+CF3COOH"	148.962264
"1372322"	163.076524	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H-2H2O"	-35.012676
"1395285"	181.0865	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H-H2O"	-17.0027
"288774"	397.185676	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+H"	1.007276
"684114"	595.274876	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+H"	1.007276
"1361556"	199.096476	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H"	1.007276
"130070"	199.096476	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+2H"	2.014552
"568902"	298.141076	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+2H"	2.014552
"1048280"	100.051876	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2H"	2.014552
"216179"	133.066742666667	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+3H"	3.021828
"654645"	199.096476	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+3H"	3.021828
"1170583"	67.0370093333333	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+3H"	3.021828
"429485"	414.212223	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+NH4"	18.033823
"789389"	612.301423	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+NH4"	18.033823
"1686811"	216.123023	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+NH4"	18.033823
"334358"	207.6097495	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+H+NH4"	19.041099
"727511"	306.6543495	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+H+NH4"	19.041099
"1478778"	108.5651495	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H+NH4"	19.041099
"406569"	419.167618	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+Na"	22.989218
"761001"	617.256818	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+Na"	22.989218
"1608006"	221.078418	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Na"	22.989218
"322418"	210.087447	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+H+Na"	23.996494
"717026"	309.132047	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+H+Na"	23.996494
"1470846"	111.042847	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H+Na"	23.996494
"1059721"	74.3643233333333	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2H+Na"	25.00377
"1260669"	231.122686	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+CH3OH+H"	33.033486
"381069"	435.141558	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+K"	38.963158
"744251"	633.230758	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+K"	38.963158
"1541931"	237.052358	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+K"	38.963158
"299228"	218.074417	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+H+K"	39.970434
"691812"	317.119017	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+H+K"	39.970434
"1455199"	119.029817	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H+K"	39.970434
"243804"	438.212226	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+ACN+H"	42.033826
"1216512"	240.123026	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+ACN+H"	42.033826
"1200399"	120.565151	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+ACN+2H"	43.041102
"190718"	441.14956	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+2Na-H"	44.97116
"637205"	639.23876	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+2Na-H"	44.97116
"1133781"	243.06036	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2Na-H"	44.97116
"177804"	221.078418	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+2Na"	45.978436
"617726"	320.123018	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+2Na"	45.978436
"1121230"	122.033818	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2Na"	45.978436
"1399528"	81.6916373333333	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H+2Na"	46.985712
"1443801"	245.101946	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H+HCOOH"	47.012746
"230224"	226.11144	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+3H2O+2H"	56.04448
"1513911"	259.15399	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+IsoProp+H"	61.06479
"414689"	229.065388	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+Na+K"	61.952376
"777871"	328.109988	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+Na+K"	61.952376
"1672015"	130.020788	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Na+K"	61.952376
"258536"	460.194168	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+ACN+Na"	64.015768
"1231246"	262.104968	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+ACN+Na"	64.015768
"1721228"	262.128493	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+NH4+HCOOH"	64.039293
"1180382"	89.0189513333333	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+3Na"	68.967654
"1658663"	267.083888	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Na+HCOOH"	68.994688
"166622"	473.09744	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+2K-H"	76.91904
"605089"	671.18664	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+2K-H"	76.91904
"1094704"	275.00824	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2K-H"	76.91904
"147507"	237.052358	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"2M+2K"	77.926316
"583785"	336.096958	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"3M+2K"	77.926316
"1079969"	138.007758	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2K"	77.926316
"1109533"	277.022792	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2K+H"	78.933592
"1346282"	277.110407	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+DMSO+H"	79.021207
"1014810"	281.149576	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2ACN+H"	83.060376
"1526739"	282.143208	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+IsoProp+Na+H"	84.054008
"1004012"	141.078426	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+2ACN+2H"	84.067652
"1598633"	283.057828	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+K+HCOOH"	84.968628
"1428671"	313.089338	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+H+CF3COOH"	115.000138
"1160053"	161.591701	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+3ACN+2H"	125.094202
"1707416"	330.115885	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+NH4+CF3COOH"	132.026685
"1645256"	335.07128	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+Na+CF3COOH"	136.98208
"1586373"	351.04522	"C16644"	"1-(34-Dimethoxyphenyl)ethane-12-diol"	"C10H14O4"	"198.0892"	"M+K+CF3COOH"	152.95602
"803617"	1085.4075	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M"	0
"976055"	1066.38911	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-H2O-H"	-19.01839
"64044"	722.597724	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M-3H"	-3.021828
"503969"	1084.400224	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M-3H"	-3.021828
"880801"	360.795224	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-3H"	-3.021828
"1202"	1084.400224	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M-2H"	-2.014552
"441982"	1627.103974	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M-2H"	-2.014552
"817588"	541.696474	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-2H"	-2.014552
"84153"	2169.807724	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M-H"	-1.007276
"524806"	3255.215224	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M-H"	-1.007276
"896648"	1084.400224	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-H"	-1.007276
"55889"	2186.834271	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M-2H+NH4"	16.019271
"491075"	3272.241771	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M-2H+NH4"	16.019271
"872158"	1101.426771	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-2H+NH4"	16.019271
"43341"	2191.789666	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M-2H+Na"	20.974666
"481808"	3277.197166	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M-2H+Na"	20.974666
"862531"	1106.382166	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-2H+Na"	20.974666
"1630237"	1106.382166	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Na-2H"	20.974666
"105672"	1102.388563	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M-H+Cl"	33.962126
"546326"	1645.092313	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M-H+Cl"	33.962126
"938748"	559.684813	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-H+Cl"	33.962126
"281924"	2205.784402	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+Cl"	34.969402
"670825"	3291.191902	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+Cl"	34.969402
"1281041"	1120.376902	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Cl"	34.969402
"22137"	2207.763606	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M-2H+K"	36.948606
"462786"	3293.171106	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M-2H+K"	36.948606
"842048"	1122.356106	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-2H+K"	36.948606
"1560797"	1122.356106	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+K-2H"	36.948606
"947956"	1130.405694	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-H+HCOOH"	44.998194
"363619"	2215.813201	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+HCOOH-H"	44.998201
"346777"	2229.828851	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+Hac-H"	59.013851
"1494516"	1144.421351	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Hac-H"	59.013851
"961691"	1152.387651	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-H+NaCOOH"	66.980151
"115336"	1120.376902	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+2Cl"	69.938804
"553805"	1663.080652	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+2Cl"	69.938804
"1029165"	577.673152	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2Cl"	69.938804
"1249838"	1164.326385	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Br"	78.918885
"1309005"	1166.382372	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Cl+HCOOH"	80.974872
"1327595"	1188.364329	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Cl+NaCOOH"	102.956829
"916471"	1198.393086	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M-H+CF3COOH"	112.985586
"1293180"	1234.369764	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Cl+CF3COOH"	148.962264
"1372432"	1050.394824	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H-2H2O"	-35.012676
"1392115"	1068.4048	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H-H2O"	-17.0027
"285240"	2171.822276	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+H"	1.007276
"684223"	3257.229776	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+H"	1.007276
"1361665"	1086.414776	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H"	1.007276
"130180"	1086.414776	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+2H"	2.014552
"569014"	1629.118526	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+2H"	2.014552
"1048388"	543.711026	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2H"	2.014552
"213008"	724.612276	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+3H"	3.021828
"654755"	1086.414776	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+3H"	3.021828
"1167412"	362.809776	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+3H"	3.021828
"426313"	2188.848823	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+NH4"	18.033823
"787309"	3274.256323	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+NH4"	18.033823
"1684734"	1103.441323	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+NH4"	18.033823
"334105"	1094.9280495	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+H+NH4"	19.041099
"724824"	1637.6317995	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+H+NH4"	19.041099
"1479618"	552.2242995	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H+NH4"	19.041099
"405585"	2193.804218	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+Na"	22.989218
"762206"	3279.211718	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+Na"	22.989218
"1610303"	1108.396718	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Na"	22.989218
"325808"	1097.405747	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+H+Na"	23.996494
"718232"	1640.109497	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+H+Na"	23.996494
"1469866"	554.701997	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H+Na"	23.996494
"1060924"	370.13709	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2H+Na"	25.00377
"1260779"	1118.440986	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+CH3OH+H"	33.033486
"379355"	2209.778158	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+K"	38.963158
"742174"	3295.185658	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+K"	38.963158
"1544228"	1124.370658	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+K"	38.963158
"299584"	1105.392717	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+H+K"	39.970434
"692004"	1648.096467	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+H+K"	39.970434
"1457498"	562.688967	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H+K"	39.970434
"245008"	2212.848826	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+ACN+H"	42.033826
"1215531"	1127.441326	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+ACN+H"	42.033826
"1200509"	564.224301	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+ACN+2H"	43.041102
"191921"	2215.78616	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+2Na-H"	44.97116
"637315"	3301.19366	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+2Na-H"	44.97116
"1136078"	1130.37866	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2Na-H"	44.97116
"179737"	1108.396718	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+2Na"	45.978436
"617836"	1651.100468	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+2Na"	45.978436
"1120247"	565.692968	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2Na"	45.978436
"1399516"	377.464404	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H+2Na"	46.985712
"1442818"	1132.420246	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H+HCOOH"	47.012746
"230334"	1113.42974	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+3H2O+2H"	56.04448
"1515114"	1146.47229	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+IsoProp+H"	61.06479
"414799"	1116.383688	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+Na+K"	61.952376
"777981"	1659.087438	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+Na+K"	61.952376
"1672125"	573.679938	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Na+K"	61.952376
"258646"	2234.830768	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+ACN+Na"	64.015768
"1232449"	1149.423268	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+ACN+Na"	64.015768
"1722431"	1149.446793	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+NH4+HCOOH"	64.039293
"1180856"	384.791718	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+3Na"	68.967654
"1658774"	1154.402188	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Na+HCOOH"	68.994688
"166732"	2247.73404	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+2K-H"	76.91904
"605562"	3333.14154	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+2K-H"	76.91904
"1094450"	1162.32654	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2K-H"	76.91904
"147617"	1124.370658	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"2M+2K"	77.926316
"584622"	1667.074408	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"3M+2K"	77.926316
"1077526"	581.666908	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2K"	77.926316
"1108184"	1164.341092	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2K+H"	78.933592
"1340193"	1164.428707	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+DMSO+H"	79.021207
"1008723"	1168.467876	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2ACN+H"	83.060376
"1526849"	1169.461508	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+IsoProp+Na+H"	84.054008
"1004122"	584.737576	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+2ACN+2H"	84.067652
"1599837"	1170.376128	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+K+HCOOH"	84.968628
"1428781"	1200.407638	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+H+CF3COOH"	115.000138
"1159070"	605.250851	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+3ACN+2H"	125.094202
"1707526"	1217.434185	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+NH4+CF3COOH"	132.026685
"1646460"	1222.38958	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+Na+CF3COOH"	136.98208
"1586483"	1238.36352	"C16645"	"(13Z16Z)-Docosadi-1316-enoyl-CoA"	"C43H74N7O17P3S"	"1085.4075"	"M+K+CF3COOH"	152.95602
"803727"	131.0946	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M"	0
"977260"	112.07621	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"65862"	86.389124	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"506151"	130.087324	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"885048"	42.690924	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"1803"	130.087324	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"440998"	195.634624	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"822082"	64.540024	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"80127"	261.181924	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"519566"	392.276524	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"896639"	130.087324	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"52719"	278.208471	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"491185"	409.303071	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"868988"	147.113871	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"42359"	283.163866	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"481919"	414.258466	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"863371"	152.069266	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1628161"	152.069266	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"105418"	148.075663	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"548017"	213.622963	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"940924"	82.528363	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"282358"	297.158602	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"669842"	428.253202	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1286255"	166.064002	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"22614"	299.137806	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"459985"	430.232406	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"844347"	168.043206	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1564555"	168.043206	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"945879"	176.092794	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"364097"	307.187401	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"347979"	321.203051	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1495718"	190.108451	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"963260"	198.074751	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"118728"	166.064002	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"552822"	231.611302	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1034014"	100.516702	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1248855"	210.013485	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1311303"	212.069472	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1324427"	234.051429	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"917674"	244.080186	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1295477"	280.056864	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1378010"	96.081924	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1387854"	114.0919	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"289728"	263.196476	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"686522"	394.291076	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1359589"	132.101876	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"129200"	132.101876	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"580428"	197.649176	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1049592"	66.554576	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"213120"	88.403676	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"654868"	132.101876	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1175179"	44.705476	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"426789"	280.223023	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"789973"	411.317623	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1684117"	149.128423	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"333123"	140.6151495	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"725543"	206.1624495	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1478269"	75.0678495	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"400231"	285.178418	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"762318"	416.273018	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1607136"	154.083818	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"321546"	143.092847	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"719437"	208.640147	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1473257"	77.545547	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1057755"	52.03279	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1261622"	164.128086	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"379468"	301.152358	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"742285"	432.246958	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1541418"	170.057758	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"300424"	151.079817	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"692478"	216.627117	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1457608"	85.532517	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"246212"	304.223026	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1216734"	173.128426	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1200619"	87.067851	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"192759"	307.16036	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"634145"	438.25496	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1135094"	176.06576	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"184221"	154.083818	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"616123"	219.631118	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1124005"	88.536518	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1405341"	59.360104	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1444021"	178.107346	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"230444"	159.11684	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1514130"	192.15939	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"414544"	162.070788	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"775175"	227.618088	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1666037"	96.523488	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"258756"	326.204968	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1233653"	195.110368	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1723637"	195.133893	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1184614"	66.687418	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1661074"	200.089288	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"168664"	339.10824	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"609684"	470.20284	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1096381"	208.01364	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"153560"	170.057758	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"588381"	235.605058	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1079095"	104.510458	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1111576"	210.028192	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1342490"	210.115807	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1007739"	214.154976	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1530239"	215.148608	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"997789"	107.581126	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1598852"	216.063228	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1415641"	246.094738	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1161366"	128.094401	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1707636"	263.121285	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1644383"	268.07668	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1586593"	284.05062	"C16647"	"NN-Diethylglycine"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"803837"	142.0994	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M"	0
"976275"	123.08101	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H2O-H"	-19.01839
"63011"	93.7256573333333	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-3H"	-3.021828
"503117"	141.092124	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-3H"	-3.021828
"881878"	46.3591906666667	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-3H"	-3.021828
"1549"	141.092124	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H"	-2.014552
"441472"	212.141824	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H"	-2.014552
"820369"	70.042424	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H"	-2.014552
"81817"	283.191524	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-H"	-1.007276
"519920"	425.290924	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-H"	-1.007276
"896628"	141.092124	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H"	-1.007276
"48450"	300.218071	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+NH4"	16.019271
"488011"	442.317471	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+NH4"	16.019271
"867275"	158.118671	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+NH4"	16.019271
"41375"	305.173466	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+Na"	20.974666
"484095"	447.272866	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+Na"	20.974666
"862755"	163.074066	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+Na"	20.974666
"1628271"	163.074066	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na-2H"	20.974666
"104799"	159.080463	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-H+Cl"	33.962126
"547640"	230.130163	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-H+Cl"	33.962126
"940062"	88.030763	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+Cl"	33.962126
"282022"	319.168202	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Cl"	34.969402
"671045"	461.267602	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Cl"	34.969402
"1283449"	177.068802	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl"	34.969402
"20537"	321.147406	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+K"	36.948606
"458272"	463.246806	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+K"	36.948606
"843363"	179.048006	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+K"	36.948606
"1561385"	179.048006	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K-2H"	36.948606
"947082"	187.097594	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+HCOOH"	44.998194
"365299"	329.197001	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+HCOOH-H"	44.998201
"347360"	343.212651	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Hac-H"	59.013851
"1494004"	201.113251	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Hac-H"	59.013851
"962276"	209.079551	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+NaCOOH"	66.980151
"114464"	177.068802	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Cl"	69.938804
"555119"	248.118502	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Cl"	69.938804
"1034488"	106.019102	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Cl"	69.938804
"1252245"	221.018285	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Br"	78.918885
"1309226"	223.074272	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+HCOOH"	80.974872
"1327817"	245.056229	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+NaCOOH"	102.956829
"918877"	255.084986	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+CF3COOH"	112.985586
"1292307"	291.061664	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+CF3COOH"	148.962264
"1378120"	107.086724	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H-2H2O"	-35.012676
"1390151"	125.0967	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H-H2O"	-17.0027
"293118"	285.206076	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H"	1.007276
"688819"	427.305476	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H"	1.007276
"1359699"	143.106676	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H"	1.007276
"133684"	143.106676	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2H"	2.014552
"578714"	214.156376	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2H"	2.014552
"1050795"	72.056976	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2H"	2.014552
"213230"	95.7402093333333	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+3H"	3.021828
"654978"	143.106676	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+3H"	3.021828
"1174196"	48.3737426666667	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3H"	3.021828
"428357"	302.232623	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+NH4"	18.033823
"788987"	444.332023	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+NH4"	18.033823
"1683861"	160.133223	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4"	18.033823
"333597"	151.6199495	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+NH4"	19.041099
"724925"	222.6696495	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+NH4"	19.041099
"1479838"	80.5702495	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+NH4"	19.041099
"395601"	307.188018	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Na"	22.989218
"760242"	449.287418	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Na"	22.989218
"1610527"	165.088618	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na"	22.989218
"324938"	154.097647	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+Na"	23.996494
"716268"	225.147347	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+Na"	23.996494
"1468994"	83.047947	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+Na"	23.996494
"1057865"	55.7010566666667	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2H+Na"	25.00377
"1262824"	175.132886	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+CH3OH+H"	33.033486
"380304"	323.161958	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+K"	38.963158
"743488"	465.261358	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+K"	38.963158
"1541164"	181.062558	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K"	38.963158
"300534"	162.084617	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+K"	39.970434
"691391"	233.134317	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+K"	39.970434
"1457718"	91.034917	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+K"	39.970434
"240854"	326.232626	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+ACN+H"	42.033826
"1217937"	184.133226	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+H"	42.033826
"1201822"	92.570251	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+2H"	43.041102
"192504"	329.16996	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Na-H"	44.97116
"635348"	471.26936	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Na-H"	44.97116
"1135204"	187.07056	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Na-H"	44.97116
"184331"	165.088618	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Na"	45.978436
"615869"	236.138318	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Na"	45.978436
"1123022"	94.038918	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Na"	45.978436
"1405451"	63.0283706666667	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+2Na"	46.985712
"1441944"	189.112146	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+HCOOH"	47.012746
"221677"	170.12164	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+3H2O+2H"	56.04448
"1509375"	203.16419	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+IsoProp+H"	61.06479
"414290"	173.075588	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Na+K"	61.952376
"773462"	244.125288	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Na+K"	61.952376
"1666265"	102.025888	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+K"	61.952376
"258866"	348.214568	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+ACN+Na"	64.015768
"1233762"	206.115168	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+Na"	64.015768
"1718276"	206.138693	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4+HCOOH"	64.039293
"1184724"	70.3556846666667	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3Na"	68.967654
"1662641"	211.094088	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+HCOOH"	68.994688
"169138"	361.11784	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2K-H"	76.91904
"609793"	503.21724	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2K-H"	76.91904
"1095032"	219.01844	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K-H"	76.91904
"151118"	181.062558	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2K"	77.926316
"588491"	252.112258	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2K"	77.926316
"1076289"	110.012858	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K"	77.926316
"1107310"	221.032992	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K+H"	78.933592
"1339320"	221.120607	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+DMSO+H"	79.021207
"1007120"	225.159776	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2ACN+H"	83.060376
"1528163"	226.153408	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+IsoProp+Na+H"	84.054008
"997899"	113.083526	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2ACN+2H"	84.067652
"1597869"	227.068028	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K+HCOOH"	84.968628
"1415144"	257.099538	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+CF3COOH"	115.000138
"1160019"	133.596801	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3ACN+2H"	125.094202
"1707746"	274.126085	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4+CF3COOH"	132.026685
"1644493"	279.08148	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+CF3COOH"	136.98208
"1586703"	295.05542	"C16648"	"2-n-Propyl-4-pentenoic acid;4-En-valproic acid;4-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K+CF3COOH"	152.95602
"803947"	160.1099	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M"	0
"975292"	141.09151	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-H2O-H"	-19.01839
"63896"	105.732657333333	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M-3H"	-3.021828
"503213"	159.102624	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M-3H"	-3.021828
"881988"	52.3626906666667	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-3H"	-3.021828
"1659"	159.102624	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H"	-2.014552
"441217"	239.157574	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H"	-2.014552
"817393"	79.047674	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H"	-2.014552
"79497"	319.212524	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M-H"	-1.007276
"519664"	479.322424	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M-H"	-1.007276
"897102"	159.102624	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-H"	-1.007276
"47952"	336.239071	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+NH4"	16.019271
"487465"	496.348971	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+NH4"	16.019271
"864503"	176.129171	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+NH4"	16.019271
"43671"	341.194466	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+Na"	20.974666
"484205"	501.304366	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+Na"	20.974666
"862499"	181.084566	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+Na"	20.974666
"1628381"	181.084566	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na-2H"	20.974666
"103816"	177.090963	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M-H+Cl"	33.962126
"547508"	257.145913	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M-H+Cl"	33.962126
"939930"	97.036013	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+Cl"	33.962126
"280918"	355.189202	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Cl"	34.969402
"670062"	515.299102	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Cl"	34.969402
"1283195"	195.079302	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl"	34.969402
"20647"	357.168406	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+K"	36.948606
"458018"	517.278306	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+K"	36.948606
"844566"	197.058506	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+K"	36.948606
"1559307"	197.058506	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+K-2H"	36.948606
"945006"	205.108094	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+HCOOH"	44.998194
"362493"	365.218001	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+HCOOH-H"	44.998201
"345692"	379.233651	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Hac-H"	59.013851
"1492858"	219.123751	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Hac-H"	59.013851
"960199"	227.090051	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+NaCOOH"	66.980151
"118946"	195.079302	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Cl"	69.938804
"551949"	275.134252	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Cl"	69.938804
"1029496"	115.024352	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Cl"	69.938804
"1245794"	239.028785	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Br"	78.918885
"1308242"	241.084772	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+HCOOH"	80.974872
"1324647"	263.066729	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+NaCOOH"	102.956829
"917894"	273.095486	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+CF3COOH"	112.985586
"1292417"	309.072164	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+CF3COOH"	148.962264
"1378230"	125.097224	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H-2H2O"	-35.012676
"1390261"	143.1072	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H-H2O"	-17.0027
"293228"	321.227076	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H"	1.007276
"688565"	481.336976	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H"	1.007276
"1360902"	161.117176	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H"	1.007276
"130514"	161.117176	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2H"	2.014552
"578824"	241.172126	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2H"	2.014552
"1052123"	81.062226	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2H"	2.014552
"211153"	107.747209333333	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+3H"	3.021828
"655088"	161.117176	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+3H"	3.021828
"1172118"	54.3772426666667	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+3H"	3.021828
"428467"	338.253623	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+NH4"	18.033823
"788733"	498.363523	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+NH4"	18.033823
"1685064"	178.143723	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4"	18.033823
"333707"	169.6304495	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+NH4"	19.041099
"725764"	249.6853995	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+NH4"	19.041099
"1480312"	89.5754995	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+NH4"	19.041099
"397898"	343.209018	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Na"	22.989218
"758529"	503.318918	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Na"	22.989218
"1610636"	183.099118	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na"	22.989218
"321768"	172.108147	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+Na"	23.996494
"717471"	252.163097	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+Na"	23.996494
"1469103"	92.053197	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+Na"	23.996494
"1056881"	61.7045566666667	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2H+Na"	25.00377
"1260380"	193.143386	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+CH3OH+H"	33.033486
"380049"	359.182958	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+K"	38.963158
"739219"	519.292858	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+K"	38.963158
"1540546"	199.073058	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+K"	38.963158
"299296"	180.095117	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+K"	39.970434
"691677"	260.150067	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+K"	39.970434
"1446149"	100.040167	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+K"	39.970434
"238037"	362.253626	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+ACN+H"	42.033826
"1210746"	202.143726	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+H"	42.033826
"1198281"	101.575501	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+2H"	43.041102
"192250"	365.19096	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Na-H"	44.97116
"635458"	525.30086	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Na-H"	44.97116
"1133127"	205.08106	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Na-H"	44.97116
"184077"	183.099118	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Na"	45.978436
"617072"	263.154068	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Na"	45.978436
"1125318"	103.044168	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Na"	45.978436
"1405561"	69.0318706666667	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+2Na"	46.985712
"1442054"	207.122646	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+HCOOH"	47.012746
"221788"	188.13214	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+3H2O+2H"	56.04448
"1510700"	221.17469	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+IsoProp+H"	61.06479
"414400"	191.086088	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Na+K"	61.952376
"773936"	271.141038	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Na+K"	61.952376
"1666012"	111.031138	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+K"	61.952376
"259340"	384.235568	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+ACN+Na"	64.015768
"1233507"	224.125668	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+Na"	64.015768
"1718384"	224.149193	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4+HCOOH"	64.039293
"1181915"	76.3591846666667	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+3Na"	68.967654
"1661658"	229.104588	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+HCOOH"	68.994688
"165604"	397.13884	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2K-H"	76.91904
"606623"	557.24874	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2K-H"	76.91904
"1094413"	237.02894	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K-H"	76.91904
"150864"	199.073058	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2K"	77.926316
"588601"	279.128008	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2K"	77.926316
"1076399"	119.018108	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K"	77.926316
"1107420"	239.043492	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K+H"	78.933592
"1339430"	239.131107	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+DMSO+H"	79.021207
"1006743"	243.170276	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2ACN+H"	83.060376
"1528273"	244.163908	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+IsoProp+Na+H"	84.054008
"998009"	122.088776	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+2ACN+2H"	84.067652
"1597979"	245.078528	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+K+HCOOH"	84.968628
"1415985"	275.110038	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+CF3COOH"	115.000138
"1160129"	142.602051	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+3ACN+2H"	125.094202
"1707856"	292.136585	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4+CF3COOH"	132.026685
"1643510"	297.09198	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+CF3COOH"	136.98208
"1586813"	313.06592	"C16649"	"4-Hydroxyvalproic acid;2-n-Propyl-4-hydroxypentanoic acid;4-OH-VPA"	"C8H16O3"	"160.1099"	"M+K+CF3COOH"	152.95602
"804057"	160.1099	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M"	0
"976495"	141.09151	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-H2O-H"	-19.01839
"64126"	105.732657333333	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M-3H"	-3.021828
"503931"	159.102624	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M-3H"	-3.021828
"885379"	52.3626906666667	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-3H"	-3.021828
"2862"	159.102624	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H"	-2.014552
"442421"	239.157574	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H"	-2.014552
"818402"	79.047674	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H"	-2.014552
"80944"	319.212524	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M-H"	-1.007276
"520867"	479.322424	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M-H"	-1.007276
"899764"	159.102624	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-H"	-1.007276
"47941"	336.239071	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+NH4"	16.019271
"488345"	496.348971	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+NH4"	16.019271
"865184"	176.129171	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+NH4"	16.019271
"37219"	341.194466	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+Na"	20.974666
"483343"	501.304366	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+Na"	20.974666
"863219"	181.084566	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+Na"	20.974666
"1632381"	181.084566	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na-2H"	20.974666
"106113"	177.090963	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M-H+Cl"	33.962126
"544580"	257.145913	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M-H+Cl"	33.962126
"942233"	97.036013	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+Cl"	33.962126
"281393"	355.189202	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Cl"	34.969402
"670172"	515.299102	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Cl"	34.969402
"1284762"	195.079302	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl"	34.969402
"19664"	357.168406	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+K"	36.948606
"461408"	517.278306	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+K"	36.948606
"844676"	197.058506	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+K"	36.948606
"1562697"	197.058506	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+K-2H"	36.948606
"947302"	205.108094	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+HCOOH"	44.998194
"362845"	365.218001	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+HCOOH-H"	44.998201
"347579"	379.233651	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Hac-H"	59.013851
"1493131"	219.123751	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Hac-H"	59.013851
"967962"	227.090051	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+NaCOOH"	66.980151
"119786"	195.079302	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Cl"	69.938804
"554247"	275.134252	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Cl"	69.938804
"1029606"	115.024352	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Cl"	69.938804
"1245905"	239.028785	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Br"	78.918885
"1309447"	241.084772	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+HCOOH"	80.974872
"1325851"	263.066729	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+NaCOOH"	102.956829
"918004"	273.095486	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+CF3COOH"	112.985586
"1299087"	309.072164	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+CF3COOH"	148.962264
"1380530"	125.097224	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H-2H2O"	-35.012676
"1390371"	143.1072	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H-H2O"	-17.0027
"294432"	321.227076	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H"	1.007276
"682480"	481.336976	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H"	1.007276
"1362109"	161.117176	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H"	1.007276
"133904"	161.117176	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2H"	2.014552
"580155"	241.172126	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2H"	2.014552
"1052640"	81.062226	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2H"	2.014552
"213451"	107.747209333333	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+3H"	3.021828
"658236"	161.117176	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+3H"	3.021828
"1174415"	54.3772426666667	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+3H"	3.021828
"430399"	338.253623	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+NH4"	18.033823
"791395"	498.363523	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+NH4"	18.033823
"1686269"	178.143723	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4"	18.033823
"332723"	169.6304495	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+NH4"	19.041099
"728062"	249.6853995	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+NH4"	19.041099
"1479696"	89.5754995	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+NH4"	19.041099
"398374"	343.209018	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Na"	22.989218
"761557"	503.318918	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Na"	22.989218
"1612936"	183.099118	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na"	22.989218
"328442"	172.108147	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+Na"	23.996494
"720498"	252.163097	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+Na"	23.996494
"1471401"	92.053197	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+Na"	23.996494
"1064647"	61.7045566666667	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2H+Na"	25.00377
"1264139"	193.143386	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+CH3OH+H"	33.033486
"380526"	359.182958	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+K"	38.963158
"739334"	519.292858	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+K"	38.963158
"1543575"	199.073058	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+K"	38.963158
"300021"	180.095117	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+K"	39.970434
"693173"	260.150067	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+K"	39.970434
"1446503"	100.040167	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+K"	39.970434
"237419"	362.253626	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+ACN+H"	42.033826
"1210248"	202.143726	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+H"	42.033826
"1198391"	101.575501	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+2H"	43.041102
"195272"	365.19096	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Na-H"	44.97116
"629482"	525.30086	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Na-H"	44.97116
"1131810"	205.08106	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Na-H"	44.97116
"184187"	183.099118	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Na"	45.978436
"617182"	263.154068	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Na"	45.978436
"1124700"	103.044168	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Na"	45.978436
"1405671"	69.0318706666667	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+2Na"	46.985712
"1442164"	207.122646	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+HCOOH"	47.012746
"222747"	188.13214	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+3H2O+2H"	56.04448
"1510079"	221.17469	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+IsoProp+H"	61.06479
"413781"	191.086088	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Na+K"	61.952376
"774046"	271.141038	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Na+K"	61.952376
"1669646"	111.031138	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+K"	61.952376
"260179"	384.235568	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+ACN+Na"	64.015768
"1231429"	224.125668	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+Na"	64.015768
"1714847"	224.149193	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4+HCOOH"	64.039293
"1179591"	76.3591846666667	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+3Na"	68.967654
"1661038"	229.104588	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+HCOOH"	68.994688
"168628"	397.13884	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2K-H"	76.91904
"605639"	557.24874	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2K-H"	76.91904
"1095616"	237.02894	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K-H"	76.91904
"154621"	199.073058	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2K"	77.926316
"591628"	279.128008	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2K"	77.926316
"1073229"	119.018108	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K"	77.926316
"1105344"	239.043492	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K+H"	78.933592
"1338447"	239.131107	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+DMSO+H"	79.021207
"1008431"	243.170276	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2ACN+H"	83.060376
"1527289"	244.163908	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+IsoProp+Na+H"	84.054008
"998119"	122.088776	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+2ACN+2H"	84.067652
"1596996"	245.078528	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+K+HCOOH"	84.968628
"1416095"	275.110038	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+CF3COOH"	115.000138
"1148571"	142.602051	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+3ACN+2H"	125.094202
"1699214"	292.136585	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4+CF3COOH"	132.026685
"1644713"	297.09198	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+CF3COOH"	136.98208
"1586923"	313.06592	"C16650"	"5-Hydroxyvalproic acid;2-n-Propyl-5-hydroxypentanoic acid;5-OH-VPA"	"C8H16O3"	"160.1099"	"M+K+CF3COOH"	152.95602
"804167"	160.1099	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M"	0
"976605"	141.09151	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-H2O-H"	-19.01839
"63509"	105.732657333333	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M-3H"	-3.021828
"503000"	159.102624	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M-3H"	-3.021828
"883302"	52.3626906666667	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-3H"	-3.021828
"2972"	159.102624	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H"	-2.014552
"441315"	239.157574	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H"	-2.014552
"818752"	79.047674	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H"	-2.014552
"81054"	319.212524	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M-H"	-1.007276
"521099"	479.322424	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M-H"	-1.007276
"897198"	159.102624	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-H"	-1.007276
"48292"	336.239071	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+NH4"	16.019271
"487599"	496.348971	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+NH4"	16.019271
"865050"	176.129171	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+NH4"	16.019271
"37329"	341.194466	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+Na"	20.974666
"486491"	501.304366	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+Na"	20.974666
"859067"	181.084566	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+Na"	20.974666
"1632613"	181.084566	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na-2H"	20.974666
"107317"	177.090963	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M-H+Cl"	33.962126
"544690"	257.145913	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M-H+Cl"	33.962126
"938205"	97.036013	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+Cl"	33.962126
"280652"	355.189202	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Cl"	34.969402
"668095"	515.299102	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Cl"	34.969402
"1281593"	195.079302	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl"	34.969402
"19775"	357.168406	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M-2H+K"	36.948606
"460427"	517.278306	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M-2H+K"	36.948606
"837134"	197.058506	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-2H+K"	36.948606
"1562810"	197.058506	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+K-2H"	36.948606
"947414"	205.108094	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+HCOOH"	44.998194
"362714"	365.218001	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+HCOOH-H"	44.998201
"346719"	379.233651	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Hac-H"	59.013851
"1493358"	219.123751	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Hac-H"	59.013851
"961512"	227.090051	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+NaCOOH"	66.980151
"119166"	195.079302	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Cl"	69.938804
"550710"	275.134252	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Cl"	69.938804
"1024249"	115.024352	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Cl"	69.938804
"1241884"	239.028785	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Br"	78.918885
"1304695"	241.084772	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+HCOOH"	80.974872
"1322680"	263.066729	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+NaCOOH"	102.956829
"912647"	273.095486	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M-H+CF3COOH"	112.985586
"1290450"	309.072164	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Cl+CF3COOH"	148.962264
"1375172"	125.097224	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H-2H2O"	-35.012676
"1390481"	143.1072	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H-H2O"	-17.0027
"291262"	321.227076	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H"	1.007276
"681497"	481.336976	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H"	1.007276
"1362219"	161.117176	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H"	1.007276
"132921"	161.117176	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2H"	2.014552
"580626"	241.172126	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2H"	2.014552
"1047844"	81.062226	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2H"	2.014552
"213560"	107.747209333333	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+3H"	3.021828
"653120"	161.117176	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+3H"	3.021828
"1173431"	54.3772426666667	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+3H"	3.021828
"428687"	338.253623	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+NH4"	18.033823
"791506"	498.363523	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+NH4"	18.033823
"1686378"	178.143723	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4"	18.033823
"332470"	169.6304495	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+NH4"	19.041099
"728171"	249.6853995	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+NH4"	19.041099
"1480169"	89.5754995	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+NH4"	19.041099
"402858"	343.209018	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Na"	22.989218
"759480"	503.318918	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Na"	22.989218
"1607579"	183.099118	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na"	22.989218
"320896"	172.108147	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+Na"	23.996494
"718785"	252.163097	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+Na"	23.996494
"1471511"	92.053197	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+Na"	23.996494
"1064757"	61.7045566666667	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2H+Na"	25.00377
"1264248"	193.143386	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+CH3OH+H"	33.033486
"381729"	359.182958	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+K"	38.963158
"741631"	519.292858	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+K"	38.963158
"1544779"	199.073058	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+K"	38.963158
"300132"	180.095117	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+H+K"	39.970434
"694377"	260.150067	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+H+K"	39.970434
"1448197"	100.040167	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+K"	39.970434
"237529"	362.253626	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+ACN+H"	42.033826
"1210846"	202.143726	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+H"	42.033826
"1199961"	101.575501	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+2H"	43.041102
"195383"	365.19096	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Na-H"	44.97116
"629959"	525.30086	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Na-H"	44.97116
"1133465"	205.08106	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Na-H"	44.97116
"178826"	183.099118	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2Na"	45.978436
"617293"	263.154068	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2Na"	45.978436
"1125538"	103.044168	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2Na"	45.978436
"1405781"	69.0318706666667	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+2Na"	46.985712
"1442274"	207.122646	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+HCOOH"	47.012746
"224316"	188.13214	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+3H2O+2H"	56.04448
"1511282"	221.17469	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+IsoProp+H"	61.06479
"410969"	191.086088	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+Na+K"	61.952376
"771963"	271.141038	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+Na+K"	61.952376
"1668293"	111.031138	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+K"	61.952376
"256277"	384.235568	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+ACN+Na"	64.015768
"1227527"	224.125668	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+ACN+Na"	64.015768
"1714225"	224.149193	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4+HCOOH"	64.039293
"1180673"	76.3591846666667	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+3Na"	68.967654
"1654938"	229.104588	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+HCOOH"	68.994688
"158890"	397.13884	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2K-H"	76.91904
"597472"	557.24874	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2K-H"	76.91904
"1086977"	237.02894	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K-H"	76.91904
"141435"	199.073058	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"2M+2K"	77.926316
"581533"	279.128008	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"3M+2K"	77.926316
"1071510"	119.018108	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K"	77.926316
"1107639"	239.043492	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2K+H"	78.933592
"1337097"	239.131107	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+DMSO+H"	79.021207
"1005793"	243.170276	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2ACN+H"	83.060376
"1525451"	244.163908	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+IsoProp+Na+H"	84.054008
"990196"	122.088776	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+2ACN+2H"	84.067652
"1588719"	245.078528	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+K+HCOOH"	84.968628
"1420578"	275.110038	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+H+CF3COOH"	115.000138
"1154148"	142.602051	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+3ACN+2H"	125.094202
"1699324"	292.136585	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+NH4+CF3COOH"	132.026685
"1635338"	297.09198	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+Na+CF3COOH"	136.98208
"1573909"	313.06592	"C16651"	"3-Hydroxyvalproic acid;2-n-Propyl-3-hydroxypentanoic acid;3-OH-VPA"	"C8H16O3"	"160.1099"	"M+K+CF3COOH"	152.95602
"810838"	158.0943	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M"	0
"979997"	139.07591	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H2O-H"	-19.01839
"68238"	104.388924	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-3H"	-3.021828
"505611"	157.087024	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-3H"	-3.021828
"885599"	51.690824	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-3H"	-3.021828
"3082"	157.087024	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H"	-2.014552
"441547"	236.134174	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H"	-2.014552
"821170"	78.039874	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H"	-2.014552
"81528"	315.181324	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-H"	-1.007276
"520357"	473.275624	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-H"	-1.007276
"896819"	157.087024	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H"	-1.007276
"48766"	332.207871	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H+NH4"	16.019271
"487713"	490.302171	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H+NH4"	16.019271
"865647"	174.113571	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H+NH4"	16.019271
"37439"	337.163266	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H+Na"	20.974666
"486116"	495.257566	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H+Na"	20.974666
"858084"	179.068966	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H+Na"	20.974666
"1631993"	179.068966	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na-2H"	20.974666
"107427"	175.075363	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-H+Cl"	33.962126
"544800"	254.122513	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-H+Cl"	33.962126
"938315"	96.028213	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+Cl"	33.962126
"281125"	351.158002	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Cl"	34.969402
"671485"	509.252302	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+Cl"	34.969402
"1284983"	193.063702	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl"	34.969402
"19885"	353.137206	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H+K"	36.948606
"461631"	511.231506	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H+K"	36.948606
"838337"	195.042906	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H+K"	36.948606
"1557817"	195.042906	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K-2H"	36.948606
"947524"	203.092494	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+HCOOH"	44.998194
"362092"	361.186801	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+HCOOH-H"	44.998201
"346702"	375.202451	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Hac-H"	59.013851
"1494079"	217.108151	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Hac-H"	59.013851
"959798"	225.074451	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+NaCOOH"	66.980151
"119276"	193.063702	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2Cl"	69.938804
"550327"	272.110852	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2Cl"	69.938804
"1021559"	114.016552	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2Cl"	69.938804
"1242720"	237.013185	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Br"	78.918885
"1304681"	239.069172	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl+HCOOH"	80.974872
"1320599"	261.051129	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl+NaCOOH"	102.956829
"911700"	271.079886	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+CF3COOH"	112.985586
"1289101"	307.056564	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl+CF3COOH"	148.962264
"1369815"	123.081624	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H-2H2O"	-35.012676
"1390591"	141.0916	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H-H2O"	-17.0027
"291372"	317.195876	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H"	1.007276
"682700"	475.290176	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H"	1.007276
"1360142"	159.101576	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H"	1.007276
"134124"	159.101576	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2H"	2.014552
"578063"	238.148726	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2H"	2.014552
"1047954"	80.054426	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2H"	2.014552
"212578"	106.403476	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+3H"	3.021828
"652134"	159.101576	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+3H"	3.021828
"1172447"	53.705376	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+3H"	3.021828
"429526"	334.222423	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+NH4"	18.033823
"791249"	492.316723	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+NH4"	18.033823
"1685759"	176.128123	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+NH4"	18.033823
"335132"	167.6148495	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H+NH4"	19.041099
"729375"	246.6619995	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H+NH4"	19.041099
"1481008"	88.5676995	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+NH4"	19.041099
"402968"	339.177818	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Na"	22.989218
"759590"	497.272118	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+Na"	22.989218
"1613156"	181.083518	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na"	22.989218
"324286"	170.092547	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H+Na"	23.996494
"718895"	249.139697	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H+Na"	23.996494
"1471621"	91.045397	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+Na"	23.996494
"1064867"	61.03269	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2H+Na"	25.00377
"1263264"	191.127786	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+CH3OH+H"	33.033486
"381839"	355.151758	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+K"	38.963158
"740648"	513.246058	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+K"	38.963158
"1544889"	197.057458	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K"	38.963158
"299027"	178.079517	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H+K"	39.970434
"691934"	257.126667	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H+K"	39.970434
"1446484"	99.032367	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+K"	39.970434
"236420"	358.222426	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+ACN+H"	42.033826
"1210108"	200.128126	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+ACN+H"	42.033826
"1201164"	100.567701	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+ACN+2H"	43.041102
"195129"	361.15976	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2Na-H"	44.97116
"631772"	519.25406	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2Na-H"	44.97116
"1133210"	203.06546	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2Na-H"	44.97116
"175410"	181.083518	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2Na"	45.978436
"616675"	260.130668	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2Na"	45.978436
"1125648"	102.036368	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2Na"	45.978436
"1401149"	68.360004	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+2Na"	46.985712
"1443113"	205.107046	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+HCOOH"	47.012746
"222241"	186.11654	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+3H2O+2H"	56.04448
"1511758"	219.15909	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+IsoProp+H"	61.06479
"410107"	189.070488	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Na+K"	61.952376
"771101"	268.117638	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+Na+K"	61.952376
"1668404"	110.023338	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na+K"	61.952376
"252612"	380.204368	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+ACN+Na"	64.015768
"1226169"	222.110068	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+ACN+Na"	64.015768
"1714336"	222.133593	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+NH4+HCOOH"	64.039293
"1182970"	75.687318	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+3Na"	68.967654
"1653955"	227.088988	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na+HCOOH"	68.994688
"159000"	393.10764	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2K-H"	76.91904
"597700"	551.20194	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2K-H"	76.91904
"1093648"	235.01334	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2K-H"	76.91904
"143901"	197.057458	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2K"	77.926316
"582487"	276.104608	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2K"	77.926316
"1071257"	118.010308	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2K"	77.926316
"1105562"	237.027892	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2K+H"	78.933592
"1336356"	237.115507	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+DMSO+H"	79.021207
"1006462"	241.154676	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2ACN+H"	83.060376
"1526413"	242.148308	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+IsoProp+Na+H"	84.054008
"990919"	121.080976	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2ACN+2H"	84.067652
"1588829"	243.062928	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K+HCOOH"	84.968628
"1420688"	273.094438	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+CF3COOH"	115.000138
"1160820"	141.594251	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+3ACN+2H"	125.094202
"1697248"	290.120985	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+NH4+CF3COOH"	132.026685
"1634474"	295.07638	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na+CF3COOH"	136.98208
"1574019"	311.05032	"C16652"	"3-Oxovalproic acid;2-n-Propyl-3-oxopentanoic acid;3-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K+CF3COOH"	152.95602
"810948"	142.0994	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M"	0
"977920"	123.08101	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H2O-H"	-19.01839
"68348"	93.7256573333333	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-3H"	-3.021828
"505721"	141.092124	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-3H"	-3.021828
"883521"	46.3591906666667	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-3H"	-3.021828
"3191"	141.092124	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H"	-2.014552
"442386"	212.141824	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H"	-2.014552
"820187"	70.042424	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H"	-2.014552
"80908"	283.191524	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-H"	-1.007276
"520832"	425.290924	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-H"	-1.007276
"898269"	141.092124	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H"	-1.007276
"48146"	300.218071	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+NH4"	16.019271
"487626"	442.317471	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+NH4"	16.019271
"866484"	158.118671	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+NH4"	16.019271
"36456"	305.173466	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+Na"	20.974666
"486671"	447.272866	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+Na"	20.974666
"860381"	163.074066	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+Na"	20.974666
"1628820"	163.074066	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na-2H"	20.974666
"109281"	159.080463	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-H+Cl"	33.962126
"547097"	230.130163	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-H+Cl"	33.962126
"942625"	88.030763	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+Cl"	33.962126
"281234"	319.168202	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Cl"	34.969402
"673418"	461.267602	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Cl"	34.969402
"1283999"	177.068802	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl"	34.969402
"27649"	321.147406	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+K"	36.948606
"462834"	463.246806	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+K"	36.948606
"838447"	179.048006	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+K"	36.948606
"1563030"	179.048006	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K-2H"	36.948606
"945446"	187.097594	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+HCOOH"	44.998194
"364028"	329.197001	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+HCOOH-H"	44.998201
"346451"	343.212651	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Hac-H"	59.013851
"1494190"	201.113251	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Hac-H"	59.013851
"959907"	209.079551	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+NaCOOH"	66.980151
"112826"	177.068802	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Cl"	69.938804
"549995"	248.118502	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Cl"	69.938804
"1021547"	106.019102	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Cl"	69.938804
"1242346"	221.018285	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Br"	78.918885
"1304794"	223.074272	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+HCOOH"	80.974872
"1321440"	245.056229	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+NaCOOH"	102.956829
"913595"	255.084986	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+CF3COOH"	112.985586
"1296137"	291.061664	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+CF3COOH"	148.962264
"1377579"	107.086724	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H-2H2O"	-35.012676
"1388514"	125.0967	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H-H2O"	-17.0027
"293669"	285.206076	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H"	1.007276
"681717"	427.305476	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H"	1.007276
"1359159"	143.106676	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H"	1.007276
"133141"	143.106676	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2H"	2.014552
"580847"	214.156376	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2H"	2.014552
"1048064"	72.056976	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2H"	2.014552
"214874"	95.7402093333333	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+3H"	3.021828
"652244"	143.106676	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+3H"	3.021828
"1172557"	48.3737426666667	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3H"	3.021828
"428543"	302.232623	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+NH4"	18.033823
"790633"	444.332023	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+NH4"	18.033823
"1684412"	160.133223	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4"	18.033823
"333056"	151.6199495	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+NH4"	19.041099
"729486"	222.6696495	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+NH4"	19.041099
"1480024"	80.5702495	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+NH4"	19.041099
"401985"	307.188018	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Na"	22.989218
"758606"	449.287418	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Na"	22.989218
"1613266"	165.088618	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na"	22.989218
"321115"	154.097647	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+Na"	23.996494
"715724"	225.147347	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+Na"	23.996494
"1470637"	83.047947	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+Na"	23.996494
"1057686"	55.7010566666667	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2H+Na"	25.00377
"1260093"	175.132886	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+CH3OH+H"	33.033486
"379762"	323.161958	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+K"	38.963158
"742945"	465.261358	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+K"	38.963158
"1542080"	181.062558	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K"	38.963158
"298730"	162.084617	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+K"	39.970434
"691552"	233.134317	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+K"	39.970434
"1447323"	91.034917	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+K"	39.970434
"236289"	326.232626	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+ACN+H"	42.033826
"1210823"	184.133226	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+H"	42.033826
"1203461"	92.570251	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+2H"	43.041102
"196332"	329.16996	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Na-H"	44.97116
"632612"	471.26936	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Na-H"	44.97116
"1134657"	187.07056	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Na-H"	44.97116
"176853"	165.088618	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Na"	45.978436
"616414"	236.138318	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Na"	45.978436
"1124665"	94.038918	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Na"	45.978436
"1401623"	63.0283706666667	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+2Na"	46.985712
"1443953"	189.112146	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+HCOOH"	47.012746
"223443"	170.12164	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+3H2O+2H"	56.04448
"1511140"	203.16419	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+IsoProp+H"	61.06479
"410462"	173.075588	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Na+K"	61.952376
"772184"	244.125288	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Na+K"	61.952376
"1668514"	102.025888	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+K"	61.952376
"253088"	348.214568	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+ACN+Na"	64.015768
"1226403"	206.115168	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+Na"	64.015768
"1715538"	206.138693	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4+HCOOH"	64.039293
"1182351"	70.3556846666667	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3Na"	68.967654
"1658439"	211.094088	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+HCOOH"	68.994688
"162026"	361.11784	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2K-H"	76.91904
"598299"	503.21724	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2K-H"	76.91904
"1093758"	219.01844	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K-H"	76.91904
"143524"	181.062558	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2K"	77.926316
"583814"	252.112258	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2K"	77.926316
"1070638"	110.012858	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K"	77.926316
"1105672"	221.032992	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K+H"	78.933592
"1338777"	221.120607	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+DMSO+H"	79.021207
"1007061"	225.159776	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2ACN+H"	83.060376
"1526523"	226.153408	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+IsoProp+Na+H"	84.054008
"992002"	113.083526	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2ACN+2H"	84.067652
"1592948"	227.068028	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K+HCOOH"	84.968628
"1420798"	257.099538	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+CF3COOH"	115.000138
"1158743"	133.596801	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3ACN+2H"	125.094202
"1699545"	274.126085	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4+CF3COOH"	132.026685
"1639569"	279.08148	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+CF3COOH"	136.98208
"1574129"	295.05542	"C16653"	"2-n-Propyl-2-pentenoic acid;2-En-valproic acid;2-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K+CF3COOH"	152.95602
"811058"	142.0994	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M"	0
"978030"	123.08101	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H2O-H"	-19.01839
"68458"	93.7256573333333	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-3H"	-3.021828
"505831"	141.092124	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-3H"	-3.021828
"881445"	46.3591906666667	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-3H"	-3.021828
"3302"	141.092124	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H"	-2.014552
"441770"	212.141824	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H"	-2.014552
"819570"	70.042424	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H"	-2.014552
"79561"	283.191524	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-H"	-1.007276
"522402"	425.290924	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-H"	-1.007276
"899110"	141.092124	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H"	-1.007276
"47650"	300.218071	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+NH4"	16.019271
"487369"	442.317471	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+NH4"	16.019271
"865380"	158.118671	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+NH4"	16.019271
"36565"	305.173466	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+Na"	20.974666
"485607"	447.272866	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+Na"	20.974666
"857211"	163.074066	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+Na"	20.974666
"1627835"	163.074066	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na-2H"	20.974666
"105459"	159.080463	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-H+Cl"	33.962126
"547207"	230.130163	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-H+Cl"	33.962126
"940358"	88.030763	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+Cl"	33.962126
"280737"	319.168202	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Cl"	34.969402
"673528"	461.267602	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Cl"	34.969402
"1283016"	177.068802	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl"	34.969402
"25572"	321.147406	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M-2H+K"	36.948606
"459664"	463.246806	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M-2H+K"	36.948606
"839651"	179.048006	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-2H+K"	36.948606
"1564233"	179.048006	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K-2H"	36.948606
"944463"	187.097594	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+HCOOH"	44.998194
"363774"	329.197001	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+HCOOH-H"	44.998201
"346197"	343.212651	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Hac-H"	59.013851
"1494300"	201.113251	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Hac-H"	59.013851
"960017"	209.079551	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+NaCOOH"	66.980151
"112936"	177.068802	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Cl"	69.938804
"549993"	248.118502	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Cl"	69.938804
"1021350"	106.019102	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Cl"	69.938804
"1241971"	221.018285	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Br"	78.918885
"1305147"	223.074272	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+HCOOH"	80.974872
"1321186"	245.056229	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+NaCOOH"	102.956829
"913341"	255.084986	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M-H+CF3COOH"	112.985586
"1296247"	291.061664	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Cl+CF3COOH"	148.962264
"1376596"	107.086724	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H-2H2O"	-35.012676
"1388624"	125.0967	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H-H2O"	-17.0027
"292686"	285.206076	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H"	1.007276
"680734"	427.305476	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H"	1.007276
"1355989"	143.106676	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H"	1.007276
"133251"	143.106676	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2H"	2.014552
"579375"	214.156376	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2H"	2.014552
"1048174"	72.056976	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2H"	2.014552
"214983"	95.7402093333333	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+3H"	3.021828
"652354"	143.106676	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+3H"	3.021828
"1169387"	48.3737426666667	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3H"	3.021828
"424802"	302.232623	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+NH4"	18.033823
"789283"	444.332023	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+NH4"	18.033823
"1683791"	160.133223	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4"	18.033823
"336079"	151.6199495	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+NH4"	19.041099
"730688"	222.6696495	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+NH4"	19.041099
"1483416"	80.5702495	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+NH4"	19.041099
"396628"	307.188018	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Na"	22.989218
"757623"	449.287418	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Na"	22.989218
"1613376"	165.088618	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na"	22.989218
"324506"	154.097647	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+Na"	23.996494
"709638"	225.147347	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+Na"	23.996494
"1471844"	83.047947	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+Na"	23.996494
"1058525"	55.7010566666667	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2H+Na"	25.00377
"1258381"	175.132886	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+CH3OH+H"	33.033486
"379875"	323.161958	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+K"	38.963158
"739775"	465.261358	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+K"	38.963158
"1541829"	181.062558	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K"	38.963158
"299243"	162.084617	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+H+K"	39.970434
"691747"	233.134317	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+H+K"	39.970434
"1450713"	91.034917	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+K"	39.970434
"235787"	326.232626	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+ACN+H"	42.033826
"1215313"	184.133226	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+H"	42.033826
"1203571"	92.570251	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+2H"	43.041102
"195349"	329.16996	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Na-H"	44.97116
"634909"	471.26936	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Na-H"	44.97116
"1134405"	187.07056	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Na-H"	44.97116
"175870"	165.088618	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2Na"	45.978436
"616890"	236.138318	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2Na"	45.978436
"1124775"	94.038918	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2Na"	45.978436
"1400642"	63.0283706666667	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+2Na"	46.985712
"1437136"	189.112146	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+HCOOH"	47.012746
"222825"	170.12164	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+3H2O+2H"	56.04448
"1509428"	203.16419	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+IsoProp+H"	61.06479
"409479"	173.075588	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+Na+K"	61.952376
"771201"	244.125288	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+Na+K"	61.952376
"1667894"	102.025888	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+K"	61.952376
"252229"	348.214568	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+ACN+Na"	64.015768
"1233323"	206.115168	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+ACN+Na"	64.015768
"1714191"	206.138693	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4+HCOOH"	64.039293
"1181004"	70.3556846666667	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3Na"	68.967654
"1657456"	211.094088	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+HCOOH"	68.994688
"157517"	361.11784	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2K-H"	76.91904
"597357"	503.21724	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2K-H"	76.91904
"1088400"	219.01844	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K-H"	76.91904
"141684"	181.062558	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"2M+2K"	77.926316
"584775"	252.112258	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"3M+2K"	77.926316
"1071477"	110.012858	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K"	77.926316
"1105781"	221.032992	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2K+H"	78.933592
"1341073"	221.120607	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+DMSO+H"	79.021207
"1006929"	225.159776	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2ACN+H"	83.060376
"1526632"	226.153408	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+IsoProp+Na+H"	84.054008
"992355"	113.083526	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+2ACN+2H"	84.067652
"1591963"	227.068028	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K+HCOOH"	84.968628
"1415797"	257.099538	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+H+CF3COOH"	115.000138
"1157758"	133.596801	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+3ACN+2H"	125.094202
"1698562"	274.126085	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+NH4+CF3COOH"	132.026685
"1639679"	279.08148	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+Na+CF3COOH"	136.98208
"1574239"	295.05542	"C16654"	"2-n-Propyl-3-pentenoic acid;3-En-valproic acid;3-Ene-VPA"	"C8H14O2"	"142.0994"	"M+K+CF3COOH"	152.95602
"815543"	158.0943	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M"	0
"978140"	139.07591	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H2O-H"	-19.01839
"66381"	104.388924	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-3H"	-3.021828
"504848"	157.087024	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-3H"	-3.021828
"883742"	51.690824	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-3H"	-3.021828
"2318"	157.087024	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H"	-2.014552
"442607"	236.134174	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H"	-2.014552
"821867"	78.039874	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H"	-2.014552
"80767"	315.181324	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-H"	-1.007276
"523606"	473.275624	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-H"	-1.007276
"901406"	157.087024	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H"	-1.007276
"51405"	332.207871	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H+NH4"	16.019271
"492060"	490.302171	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H+NH4"	16.019271
"870956"	174.113571	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H+NH4"	16.019271
"36673"	337.163266	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H+Na"	20.974666
"480611"	495.257566	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H+Na"	20.974666
"859505"	179.068966	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H+Na"	20.974666
"1625758"	179.068966	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na-2H"	20.974666
"100099"	175.075363	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-H+Cl"	33.962126
"539663"	254.122513	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-H+Cl"	33.962126
"935365"	96.028213	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+Cl"	33.962126
"277202"	351.158002	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Cl"	34.969402
"669628"	509.252302	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+Cl"	34.969402
"1280939"	193.063702	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl"	34.969402
"25682"	353.137206	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M-2H+K"	36.948606
"459774"	511.231506	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M-2H+K"	36.948606
"840854"	195.042906	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-2H+K"	36.948606
"1564343"	195.042906	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K-2H"	36.948606
"945667"	203.092494	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+HCOOH"	44.998194
"362422"	361.186801	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+HCOOH-H"	44.998201
"345941"	375.202451	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Hac-H"	59.013851
"1493031"	217.108151	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Hac-H"	59.013851
"963042"	225.074451	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+NaCOOH"	66.980151
"111588"	193.063702	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2Cl"	69.938804
"550784"	272.110852	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2Cl"	69.938804
"1022498"	114.016552	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2Cl"	69.938804
"1241958"	237.013185	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Br"	78.918885
"1305256"	239.069172	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl+HCOOH"	80.974872
"1322025"	261.051129	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl+NaCOOH"	102.956829
"914544"	271.079886	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M-H+CF3COOH"	112.985586
"1293077"	307.056564	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Cl+CF3COOH"	148.962264
"1378892"	123.081624	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H-2H2O"	-35.012676
"1392014"	141.0916	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H-H2O"	-17.0027
"296075"	317.195876	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H"	1.007276
"689956"	475.290176	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H"	1.007276
"1361567"	159.101576	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H"	1.007276
"131174"	159.101576	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2H"	2.014552
"576205"	238.148726	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2H"	2.014552
"1048284"	80.054426	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2H"	2.014552
"212906"	106.403476	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+3H"	3.021828
"654651"	159.101576	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+3H"	3.021828
"1172777"	53.705376	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+3H"	3.021828
"425842"	334.222423	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+NH4"	18.033823
"791580"	492.316723	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+NH4"	18.033823
"1687910"	176.128123	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+NH4"	18.033823
"336189"	167.6148495	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H+NH4"	19.041099
"731890"	246.6619995	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H+NH4"	19.041099
"1487898"	88.5676995	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+NH4"	19.041099
"402204"	339.177818	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Na"	22.989218
"757732"	497.272118	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+Na"	22.989218
"1605833"	181.083518	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na"	22.989218
"323523"	170.092547	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H+Na"	23.996494
"711572"	249.139697	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H+Na"	23.996494
"1469766"	91.045397	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+Na"	23.996494
"1056447"	61.03269	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2H+Na"	25.00377
"1261408"	191.127786	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+CH3OH+H"	33.033486
"379984"	355.151758	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+K"	38.963158
"742072"	513.246058	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+K"	38.963158
"1543032"	197.057458	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K"	38.963158
"299962"	178.079517	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+H+K"	39.970434
"693721"	257.126667	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+H+K"	39.970434
"1450823"	99.032367	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+K"	39.970434
"236510"	358.222426	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+ACN+H"	42.033826
"1215423"	200.128126	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+ACN+H"	42.033826
"1203681"	100.567701	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+ACN+2H"	43.041102
"194365"	361.15976	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2Na-H"	44.97116
"635019"	519.25406	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2Na-H"	44.97116
"1134879"	203.06546	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2Na-H"	44.97116
"178534"	181.083518	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2Na"	45.978436
"617000"	260.130668	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2Na"	45.978436
"1121603"	102.036368	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2Na"	45.978436
"1401845"	68.360004	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+2Na"	46.985712
"1439432"	205.107046	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+HCOOH"	47.012746
"223299"	186.11654	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+3H2O+2H"	56.04448
"1513910"	219.15909	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+IsoProp+H"	61.06479
"411410"	189.070488	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+Na+K"	61.952376
"771675"	268.117638	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+Na+K"	61.952376
"1668005"	110.023338	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na+K"	61.952376
"253431"	380.204368	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+ACN+Na"	64.015768
"1229058"	222.110068	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+ACN+Na"	64.015768
"1714666"	222.133593	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+NH4+HCOOH"	64.039293
"1180383"	75.687318	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+3Na"	68.967654
"1657566"	227.088988	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na+HCOOH"	68.994688
"158959"	393.10764	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2K-H"	76.91904
"598890"	551.20194	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2K-H"	76.91904
"1090332"	235.01334	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2K-H"	76.91904
"141631"	197.057458	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"2M+2K"	77.926316
"581638"	276.104608	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"3M+2K"	77.926316
"1072316"	118.010308	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2K"	77.926316
"1102611"	237.027892	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2K+H"	78.933592
"1341912"	237.115507	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+DMSO+H"	79.021207
"1008011"	241.154676	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2ACN+H"	83.060376
"1525771"	242.148308	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+IsoProp+Na+H"	84.054008
"990146"	121.080976	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+2ACN+2H"	84.067652
"1590980"	243.062928	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K+HCOOH"	84.968628
"1414934"	273.094438	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+H+CF3COOH"	115.000138
"1157868"	141.594251	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+3ACN+2H"	125.094202
"1701953"	290.120985	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+NH4+CF3COOH"	132.026685
"1635051"	295.07638	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+Na+CF3COOH"	136.98208
"1574349"	311.05032	"C16655"	"2-n-Propyl-4-oxopentanoic acid;4-Oxovalproic acid;4-Keto-VPA"	"C8H14O3"	"158.0943"	"M+K+CF3COOH"	152.95602
"810185"	140.0837	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M"	0
"980436"	121.06531	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-H2O-H"	-19.01839
"63574"	92.3818573333333	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M-3H"	-3.021828
"504956"	139.076424	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M-3H"	-3.021828
"881785"	45.6872906666667	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-3H"	-3.021828
"4615"	139.076424	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M-2H"	-2.014552
"444174"	209.118274	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M-2H"	-2.014552
"820883"	69.034574	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-2H"	-2.014552
"81970"	279.160124	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M-H"	-1.007276
"521163"	419.243824	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M-H"	-1.007276
"900422"	139.076424	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-H"	-1.007276
"49450"	296.186671	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M-2H+NH4"	16.019271
"491077"	436.270371	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M-2H+NH4"	16.019271
"867785"	156.102971	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-2H+NH4"	16.019271
"38240"	301.142066	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M-2H+Na"	20.974666
"479627"	441.225766	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M-2H+Na"	20.974666
"855241"	161.058366	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-2H+Na"	20.974666
"1628054"	161.058366	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Na-2H"	20.974666
"104582"	157.064763	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M-H+Cl"	33.962126
"539771"	227.106613	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M-H+Cl"	33.962126
"932192"	87.022913	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-H+Cl"	33.962126
"272935"	315.136802	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+Cl"	34.969402
"668645"	455.220502	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+Cl"	34.969402
"1282142"	175.053102	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Cl"	34.969402
"25792"	317.116006	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M-2H+K"	36.948606
"463165"	457.199706	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M-2H+K"	36.948606
"835498"	177.032306	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-2H+K"	36.948606
"1558257"	177.032306	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+K-2H"	36.948606
"945777"	185.081894	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-H+HCOOH"	44.998194
"362207"	325.165601	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+HCOOH-H"	44.998201
"345857"	339.181251	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+Hac-H"	59.013851
"1493667"	199.097551	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Hac-H"	59.013851
"959874"	207.063851	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-H+NaCOOH"	66.980151
"111086"	175.053102	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+2Cl"	69.938804
"550283"	245.094952	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+2Cl"	69.938804
"1022606"	105.011252	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2Cl"	69.938804
"1242308"	219.002585	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Br"	78.918885
"1306456"	221.058572	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Cl+HCOOH"	80.974872
"1321769"	243.040529	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Cl+NaCOOH"	102.956829
"913194"	253.069286	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M-H+CF3COOH"	112.985586
"1292457"	289.045964	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Cl+CF3COOH"	148.962264
"1375722"	105.071024	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H-2H2O"	-35.012676
"1392124"	123.081	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H-H2O"	-17.0027
"292905"	281.174676	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+H"	1.007276
"689702"	421.258376	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+H"	1.007276
"1361677"	141.090976	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H"	1.007276
"134564"	141.090976	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+2H"	2.014552
"577410"	211.132826	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+2H"	2.014552
"1048396"	71.049126	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2H"	2.014552
"215202"	94.3964093333333	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+3H"	3.021828
"652576"	141.090976	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+3H"	3.021828
"1170701"	47.7018426666667	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+3H"	3.021828
"425709"	298.201223	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+NH4"	18.033823
"789137"	438.284923	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+NH4"	18.033823
"1684738"	158.117523	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+NH4"	18.033823
"332654"	149.6042495	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+H+NH4"	19.041099
"726899"	219.6460995	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+H+NH4"	19.041099
"1484727"	79.5623995	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H+NH4"	19.041099
"400127"	303.156618	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+Na"	22.989218
"756748"	443.240318	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+Na"	22.989218
"1604847"	163.072918	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Na"	22.989218
"317071"	152.081947	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+H+Na"	23.996494
"712775"	222.123797	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+H+Na"	23.996494
"1467689"	82.040097	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H+Na"	23.996494
"1055465"	55.0291566666667	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2H+Na"	25.00377
"1263705"	173.117186	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+CH3OH+H"	33.033486
"377213"	319.130558	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+K"	38.963158
"739022"	459.214258	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+K"	38.963158
"1541076"	179.046858	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+K"	38.963158
"299340"	160.068917	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+H+K"	39.970434
"692740"	230.110767	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+H+K"	39.970434
"1448746"	90.027067	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H+K"	39.970434
"236984"	322.201226	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+ACN+H"	42.033826
"1213346"	182.117526	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+ACN+H"	42.033826
"1205614"	91.562401	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+ACN+2H"	43.041102
"195568"	325.13856	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+2Na-H"	44.97116
"635129"	465.22226	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+2Na-H"	44.97116
"1135718"	185.05486	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2Na-H"	44.97116
"178644"	163.072918	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+2Na"	45.978436
"616746"	233.114768	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+2Na"	45.978436
"1121713"	93.031068	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2Na"	45.978436
"1401590"	62.3564706666667	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H+2Na"	46.985712
"1438449"	187.096446	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H+HCOOH"	47.012746
"225961"	168.10594	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+3H2O+2H"	56.04448
"1514021"	201.14849	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+IsoProp+H"	61.06479
"413707"	171.059888	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+Na+K"	61.952376
"774701"	241.101738	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+Na+K"	61.952376
"1667750"	101.018038	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Na+K"	61.952376
"253540"	344.183168	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+ACN+Na"	64.015768
"1228071"	204.099468	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+ACN+Na"	64.015768
"1716235"	204.122993	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+NH4+HCOOH"	64.039293
"1179520"	69.6837846666667	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+3Na"	68.967654
"1652571"	209.078388	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Na+HCOOH"	68.994688
"159069"	357.08644	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+2K-H"	76.91904
"598393"	497.17014	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+2K-H"	76.91904
"1089713"	217.00274	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2K-H"	76.91904
"142025"	179.046858	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"2M+2K"	77.926316
"581787"	249.088708	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"3M+2K"	77.926316
"1071697"	109.005008	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2K"	77.926316
"1102721"	219.017292	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2K+H"	78.933592
"1339107"	219.104907	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+DMSO+H"	79.021207
"1009824"	223.144076	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2ACN+H"	83.060376
"1526855"	224.137708	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+IsoProp+Na+H"	84.054008
"990627"	112.075676	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+2ACN+2H"	84.067652
"1590360"	225.052328	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+K+HCOOH"	84.968628
"1416745"	255.083838	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+H+CF3COOH"	115.000138
"1159072"	132.588951	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+3ACN+2H"	125.094202
"1705342"	272.110385	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+NH4+CF3COOH"	132.026685
"1636984"	277.06578	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+Na+CF3COOH"	136.98208
"1574459"	293.03972	"C16656"	"2-Propyl-24-pentadienoic acid;24-Diene-VPA"	"C8H12O2"	"140.0837"	"M+K+CF3COOH"	152.95602
"814668"	160.0736	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M"	0
"981640"	141.05521	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-H2O-H"	-19.01839
"64413"	105.708457333333	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M-3H"	-3.021828
"504333"	159.066324	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M-3H"	-3.021828
"882502"	52.3505906666667	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-3H"	-3.021828
"2903"	159.066324	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M-2H"	-2.014552
"443192"	239.103124	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M-2H"	-2.014552
"820264"	79.029524	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-2H"	-2.014552
"79404"	319.139924	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M-H"	-1.007276
"519694"	479.213524	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M-H"	-1.007276
"900533"	159.066324	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-H"	-1.007276
"49439"	336.166471	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M-2H+NH4"	16.019271
"491188"	496.240071	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M-2H+NH4"	16.019271
"867895"	176.092871	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-2H+NH4"	16.019271
"37986"	341.121866	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M-2H+Na"	20.974666
"479737"	501.195466	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M-2H+Na"	20.974666
"852799"	181.048266	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-2H+Na"	20.974666
"1624881"	181.048266	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Na-2H"	20.974666
"100318"	177.054663	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M-H+Cl"	33.962126
"538059"	257.091463	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M-H+Cl"	33.962126
"936674"	97.017863	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-H+Cl"	33.962126
"275230"	355.116602	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+Cl"	34.969402
"668755"	515.190202	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+Cl"	34.969402
"1278972"	195.043002	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Cl"	34.969402
"16547"	357.095806	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M-2H+K"	36.948606
"456836"	517.169406	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M-2H+K"	36.948606
"838888"	197.022206	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-2H+K"	36.948606
"1562375"	197.022206	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+K-2H"	36.948606
"944793"	205.071794	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-H+HCOOH"	44.998194
"365194"	365.145401	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+HCOOH-H"	44.998201
"346284"	379.161051	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+Hac-H"	59.013851
"1494628"	219.087451	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Hac-H"	59.013851
"960348"	227.053751	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-H+NaCOOH"	66.980151
"110957"	195.043002	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+2Cl"	69.938804
"550399"	275.079802	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+2Cl"	69.938804
"1022352"	115.006202	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2Cl"	69.938804
"1243026"	238.992485	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Br"	78.918885
"1305111"	241.048472	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Cl+HCOOH"	80.974872
"1320543"	263.030429	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Cl+NaCOOH"	102.956829
"912575"	273.059186	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M-H+CF3COOH"	112.985586
"1294389"	309.035864	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Cl+CF3COOH"	148.962264
"1372550"	125.060924	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H-2H2O"	-35.012676
"1390046"	143.0709	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H-H2O"	-17.0027
"289735"	321.154476	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+H"	1.007276
"683250"	481.228076	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+H"	1.007276
"1360695"	161.080876	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H"	1.007276
"131396"	161.080876	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+2H"	2.014552
"575333"	241.117676	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+2H"	2.014552
"1047412"	81.044076	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2H"	2.014552
"215312"	107.723009333333	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+3H"	3.021828
"653778"	161.080876	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+3H"	3.021828
"1169717"	54.3651426666667	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+3H"	3.021828
"425209"	338.181023	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+NH4"	18.033823
"787789"	498.254623	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+NH4"	18.033823
"1685213"	178.107423	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+NH4"	18.033823
"331669"	169.5941495	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+H+NH4"	19.041099
"724087"	249.6309495	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+H+NH4"	19.041099
"1479368"	89.5573495	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H+NH4"	19.041099
"396957"	343.136418	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+Na"	22.989218
"755760"	503.210018	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+Na"	22.989218
"1608239"	183.062818	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Na"	22.989218
"320462"	172.071847	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+H+Na"	23.996494
"713978"	252.108647	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+H+Na"	23.996494
"1468892"	92.035047	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H+Na"	23.996494
"1055575"	61.6924566666667	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2H+Na"	25.00377
"1261629"	193.107086	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+CH3OH+H"	33.033486
"377407"	359.110358	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+K"	38.963158
"739740"	519.183958	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+K"	38.963158
"1542159"	199.036758	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+K"	38.963158
"299087"	180.058817	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+H+K"	39.970434
"692850"	260.095617	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+H+K"	39.970434
"1447034"	100.022017	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H+K"	39.970434
"236364"	362.181026	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+ACN+H"	42.033826
"1213456"	202.107426	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+ACN+H"	42.033826
"1201715"	101.557351	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+ACN+2H"	43.041102
"194585"	365.11836	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+2Na-H"	44.97116
"636333"	525.19196	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+2Na-H"	44.97116
"1138744"	205.04476	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2Na-H"	44.97116
"178754"	183.062818	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+2Na"	45.978436
"617582"	263.099618	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+2Na"	45.978436
"1120359"	103.026018	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2Na"	45.978436
"1401698"	69.0197706666667	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H+2Na"	46.985712
"1438923"	207.086346	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H+HCOOH"	47.012746
"226070"	188.09584	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+3H2O+2H"	56.04448
"1515225"	221.13839	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+IsoProp+H"	61.06479
"413816"	191.049788	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+Na+K"	61.952376
"772988"	271.086588	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+Na+K"	61.952376
"1666402"	111.012988	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Na+K"	61.952376
"252187"	384.162968	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+ACN+Na"	64.015768
"1226719"	224.089368	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+ACN+Na"	64.015768
"1715613"	224.112893	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+NH4+HCOOH"	64.039293
"1179630"	76.3470846666667	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+3Na"	68.967654
"1654504"	229.068288	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Na+HCOOH"	68.994688
"161366"	397.06624	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+2K-H"	76.91904
"601290"	557.13984	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+2K-H"	76.91904
"1084593"	236.99264	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2K-H"	76.91904
"142138"	199.036758	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"2M+2K"	77.926316
"583038"	279.073558	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"3M+2K"	77.926316
"1071806"	118.999958	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2K"	77.926316
"1101371"	239.007192	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2K+H"	78.933592
"1339217"	239.094807	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+DMSO+H"	79.021207
"1009934"	243.133976	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2ACN+H"	83.060376
"1526478"	244.127608	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+IsoProp+Na+H"	84.054008
"992316"	122.070626	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+2ACN+2H"	84.067652
"1587676"	245.042228	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+K+HCOOH"	84.968628
"1416611"	275.073738	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+H+CF3COOH"	115.000138
"1160275"	142.583901	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+3ACN+2H"	125.094202
"1705452"	292.100285	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+NH4+CF3COOH"	132.026685
"1637094"	297.05568	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+Na+CF3COOH"	136.98208
"1574569"	313.02962	"C16657"	"2-Propylsuccinic acid;2-PSA"	"C7H12O4"	"160.0736"	"M+K+CF3COOH"	152.95602
"810405"	174.0892	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M"	0
"978470"	155.07081	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-H2O-H"	-19.01839
"71086"	115.052190666667	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M-3H"	-3.021828
"505178"	173.081924	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M-3H"	-3.021828
"880184"	57.0224573333333	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-3H"	-3.021828
"1189"	173.081924	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M-2H"	-2.014552
"441477"	260.126524	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M-2H"	-2.014552
"819278"	86.037324	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-2H"	-2.014552
"79637"	347.171124	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M-H"	-1.007276
"521749"	521.260324	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M-H"	-1.007276
"897729"	173.081924	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-H"	-1.007276
"50643"	364.197671	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M-2H+NH4"	16.019271
"489233"	538.286871	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M-2H+NH4"	16.019271
"869099"	190.108471	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-2H+NH4"	16.019271
"35908"	369.153066	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M-2H+Na"	20.974666
"479847"	543.242266	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M-2H+Na"	20.974666
"857649"	195.063866	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-2H+Na"	20.974666
"1623902"	195.063866	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Na-2H"	20.974666
"100431"	191.070263	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M-H+Cl"	33.962126
"541085"	278.114863	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M-H+Cl"	33.962126
"938974"	104.025663	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-H+Cl"	33.962126
"273157"	383.147802	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+Cl"	34.969402
"667772"	557.237002	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+Cl"	34.969402
"1275802"	209.058602	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Cl"	34.969402
"19452"	385.127006	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M-2H+K"	36.948606
"459011"	559.216206	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M-2H+K"	36.948606
"837905"	211.037806	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-2H+K"	36.948606
"1558113"	211.037806	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+K-2H"	36.948606
"944903"	219.087394	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-H+HCOOH"	44.998194
"362023"	393.176601	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+HCOOH-H"	44.998201
"346272"	407.192251	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+Hac-H"	59.013851
"1493647"	233.103051	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Hac-H"	59.013851
"959240"	241.069351	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-H+NaCOOH"	66.980151
"110461"	209.058602	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+2Cl"	69.938804
"550508"	296.103202	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+2Cl"	69.938804
"1026112"	122.014002	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2Cl"	69.938804
"1242771"	253.008085	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Br"	78.918885
"1306319"	255.064072	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Cl+HCOOH"	80.974872
"1320896"	277.046029	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Cl+NaCOOH"	102.956829
"914874"	287.074786	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M-H+CF3COOH"	112.985586
"1295593"	323.051464	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Cl+CF3COOH"	148.962264
"1374848"	139.076524	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H-2H2O"	-35.012676
"1386878"	157.0865	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H-H2O"	-17.0027
"292034"	349.185676	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+H"	1.007276
"681176"	523.274876	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+H"	1.007276
"1356433"	175.096476	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H"	1.007276
"132602"	175.096476	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+2H"	2.014552
"577629"	262.141076	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+2H"	2.014552
"1048616"	88.051876	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2H"	2.014552
"215423"	117.066742666667	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+3H"	3.021828
"654983"	175.096476	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+3H"	3.021828
"1170922"	59.0370093333333	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+3H"	3.021828
"426539"	366.212223	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+NH4"	18.033823
"788263"	540.301423	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+NH4"	18.033823
"1684229"	192.123023	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+NH4"	18.033823
"331414"	183.6097495	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+H+NH4"	19.041099
"724565"	270.6543495	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+H+NH4"	19.041099
"1479478"	96.5651495	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H+NH4"	19.041099
"401442"	371.167618	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+Na"	22.989218
"760250"	545.256818	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+Na"	22.989218
"1613818"	197.078418	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Na"	22.989218
"320574"	186.087447	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+H+Na"	23.996494
"714088"	273.132047	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+H+Na"	23.996494
"1473376"	99.042847	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H+Na"	23.996494
"1057874"	66.3643233333333	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2H+Na"	25.00377
"1260645"	207.122686	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+CH3OH+H"	33.033486
"377397"	387.141558	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+K"	38.963158
"743496"	561.230758	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+K"	38.963158
"1545549"	213.052358	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+K"	38.963158
"298565"	194.074417	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+H+K"	39.970434
"692232"	281.119017	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+H+K"	39.970434
"1446293"	107.029817	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H+K"	39.970434
"236356"	390.212226	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+ACN+H"	42.033826
"1212473"	216.123026	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+ACN+H"	42.033826
"1201824"	108.565151	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+ACN+2H"	43.041102
"194697"	393.14956	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+2Na-H"	44.97116
"634257"	567.23876	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+2Na-H"	44.97116
"1138856"	219.06036	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2Na-H"	44.97116
"186034"	197.078418	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+2Na"	45.978436
"621706"	284.123018	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+2Na"	45.978436
"1123024"	110.033818	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2Na"	45.978436
"1405458"	73.6916373333333	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H+2Na"	46.985712
"1444016"	221.101946	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H+HCOOH"	47.012746
"225450"	202.11144	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+3H2O+2H"	56.04448
"1514606"	235.15399	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+IsoProp+H"	61.06479
"414291"	205.065388	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+Na+K"	61.952376
"773828"	292.109988	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+Na+K"	61.952376
"1669066"	118.020788	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Na+K"	61.952376
"254491"	412.194168	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+ACN+Na"	64.015768
"1230481"	238.104968	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+ACN+Na"	64.015768
"1714265"	238.128493	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+NH4+HCOOH"	64.039293
"1180712"	81.0189513333333	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+3Na"	68.967654
"1653520"	243.083888	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Na+HCOOH"	68.994688
"161476"	425.09744	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+2K-H"	76.91904
"601037"	599.18664	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+2K-H"	76.91904
"1084583"	251.00824	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2K-H"	76.91904
"141558"	213.052358	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"2M+2K"	77.926316
"585215"	300.096958	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"3M+2K"	77.926316
"1070215"	126.007758	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2K"	77.926316
"1109504"	253.022792	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2K+H"	78.933592
"1339691"	253.110407	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+DMSO+H"	79.021207
"1011137"	257.149576	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2ACN+H"	83.060376
"1526104"	258.143208	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+IsoProp+Na+H"	84.054008
"990605"	129.078426	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+2ACN+2H"	84.067652
"1587662"	259.057828	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+K+HCOOH"	84.968628
"1414900"	289.089338	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+H+CF3COOH"	115.000138
"1154915"	149.591701	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+3ACN+2H"	125.094202
"1697020"	306.115885	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+NH4+CF3COOH"	132.026685
"1634651"	311.07128	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+Na+CF3COOH"	136.98208
"1574679"	327.04522	"C16658"	"2-Propylglutaric acid;2-PGA"	"C8H14O4"	"174.0892"	"M+K+CF3COOH"	152.95602
"815498"	277.1831	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M"	0
"984048"	258.16471	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-H2O-H"	-19.01839
"66821"	183.781457333333	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M-3H"	-3.021828
"506381"	276.175824	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M-3H"	-3.021828
"889650"	91.3870906666667	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-3H"	-3.021828
"2759"	276.175824	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M-2H"	-2.014552
"443773"	414.767374	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M-2H"	-2.014552
"821210"	137.584274	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-2H"	-2.014552
"86672"	553.358924	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M-H"	-1.007276
"525138"	830.542024	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M-H"	-1.007276
"900753"	276.175824	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-H"	-1.007276
"52941"	570.385471	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M-2H+NH4"	16.019271
"492500"	847.568571	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M-2H+NH4"	16.019271
"872491"	293.202371	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-2H+NH4"	16.019271
"39300"	575.340866	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M-2H+Na"	20.974666
"481050"	852.523966	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M-2H+Na"	20.974666
"857760"	298.157766	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-2H+Na"	20.974666
"1626198"	298.157766	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Na-2H"	20.974666
"99447"	294.164163	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M-H+Cl"	33.962126
"537915"	432.755713	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M-H+Cl"	33.962126
"931429"	155.572613	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-H+Cl"	33.962126
"267924"	589.335602	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+Cl"	34.969402
"672257"	866.518702	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+Cl"	34.969402
"1279193"	312.152502	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Cl"	34.969402
"17375"	591.314806	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M-2H+K"	36.948606
"463494"	868.497906	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M-2H+K"	36.948606
"833644"	314.131706	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-2H+K"	36.948606
"1557494"	314.131706	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+K-2H"	36.948606
"943919"	322.181294	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-H+HCOOH"	44.998194
"363233"	599.364401	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+HCOOH-H"	44.998201
"346058"	613.380051	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+Hac-H"	59.013851
"1493756"	336.196951	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Hac-H"	59.013851
"959235"	344.163251	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-H+NaCOOH"	66.980151
"111056"	312.152502	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+2Cl"	69.938804
"551227"	450.744052	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+2Cl"	69.938804
"1022217"	173.560952	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2Cl"	69.938804
"1245806"	356.101985	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Br"	78.918885
"1304684"	358.157972	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Cl+HCOOH"	80.974872
"1323564"	380.139929	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Cl+NaCOOH"	102.956829
"914621"	390.168686	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M-H+CF3COOH"	112.985586
"1294610"	426.145364	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Cl+CF3COOH"	148.962264
"1373864"	242.170424	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H-2H2O"	-35.012676
"1386989"	260.1804	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H-H2O"	-17.0027
"287771"	555.373476	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+H"	1.007276
"683473"	832.556576	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+H"	1.007276
"1359822"	278.190376	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H"	1.007276
"138178"	278.190376	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+2H"	2.014552
"577739"	416.781926	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+2H"	2.014552
"1047632"	139.598826	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2H"	2.014552
"214439"	185.796009333333	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+3H"	3.021828
"656187"	278.190376	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+3H"	3.021828
"1168845"	93.4016426666667	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+3H"	3.021828
"432117"	572.400023	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+NH4"	18.033823
"786550"	849.583123	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+NH4"	18.033823
"1685433"	295.216923	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+NH4"	18.033823
"331523"	286.7036495	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+H+NH4"	19.041099
"729052"	425.2951995	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+H+NH4"	19.041099
"1479225"	148.1120995	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H+NH4"	19.041099
"397180"	577.355418	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+Na"	22.989218
"762548"	854.538518	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+Na"	22.989218
"1612835"	300.172318	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Na"	22.989218
"319592"	289.181347	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+H+Na"	23.996494
"717117"	427.772897	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+H+Na"	23.996494
"1470206"	150.589797	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H+Na"	23.996494
"1056892"	100.728956666667	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2H+Na"	25.00377
"1261851"	310.216586	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+CH3OH+H"	33.033486
"379330"	593.329358	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+K"	38.963158
"742514"	870.512458	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+K"	38.963158
"1542379"	316.146258	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+K"	38.963158
"299190"	297.168317	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+H+K"	39.970434
"694529"	435.759867	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+H+K"	39.970434
"1447989"	158.576767	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H+K"	39.970434
"238780"	596.400026	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+ACN+H"	42.033826
"1216958"	319.216926	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+ACN+H"	42.033826
"1199748"	160.112101	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+ACN+2H"	43.041102
"194807"	599.33736	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+2Na-H"	44.97116
"638741"	876.52046	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+2Na-H"	44.97116
"1137872"	322.15426	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2Na-H"	44.97116
"180068"	300.172318	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+2Na"	45.978436
"622909"	438.763868	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+2Na"	45.978436
"1122040"	161.580768	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2Na"	45.978436
"1406661"	108.056270666667	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H+2Na"	46.985712
"1440967"	324.195846	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H+HCOOH"	47.012746
"224829"	305.20534	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+3H2O+2H"	56.04448
"1517630"	338.24789	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+IsoProp+H"	61.06479
"412943"	308.159288	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+Na+K"	61.952376
"771749"	446.750838	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+Na+K"	61.952376
"1670634"	169.567738	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Na+K"	61.952376
"256425"	618.381968	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+ACN+Na"	64.015768
"1229497"	341.198868	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+ACN+Na"	64.015768
"1713647"	341.222393	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+NH4+HCOOH"	64.039293
"1178707"	115.383584666667	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+3Na"	68.967654
"1650266"	346.177788	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Na+HCOOH"	68.994688
"159035"	631.28524	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+2K-H"	76.91904
"602249"	908.46834	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+2K-H"	76.91904
"1084694"	354.10214	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2K-H"	76.91904
"141633"	316.146258	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"2M+2K"	77.926316
"587514"	454.737808	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"3M+2K"	77.926316
"1078590"	177.554708	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2K"	77.926316
"1109614"	356.116692	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2K+H"	78.933592
"1348184"	356.204307	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+DMSO+H"	79.021207
"1010154"	360.243476	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2ACN+H"	83.060376
"1526211"	361.237108	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+IsoProp+Na+H"	84.054008
"992539"	180.625376	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+2ACN+2H"	84.067652
"1589593"	362.151728	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+K+HCOOH"	84.968628
"1419269"	392.183238	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+H+CF3COOH"	115.000138
"1155027"	201.138651	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+3ACN+2H"	125.094202
"1699111"	409.209785	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+NH4+CF3COOH"	132.026685
"1634761"	414.16518	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+Na+CF3COOH"	136.98208
"1574789"	430.13912	"C16659"	"2-Ethylidene-15-dimethyl-33-diphenylpyrrolidine;EDDP"	"C20H23N"	"277.1831"	"M+K+CF3COOH"	152.95602
"807345"	263.1674	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M"	0
"978690"	244.14901	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-H2O-H"	-19.01839
"65838"	174.437657333333	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M-3H"	-3.021828
"504304"	262.160124	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M-3H"	-3.021828
"883200"	86.7151906666667	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-3H"	-3.021828
"1046"	262.160124	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M-2H"	-2.014552
"443521"	393.743824	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M-2H"	-2.014552
"820229"	130.576424	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-2H"	-2.014552
"85687"	525.327524	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M-H"	-1.007276
"526342"	788.494924	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M-H"	-1.007276
"901956"	262.160124	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-H"	-1.007276
"55237"	542.354071	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M-2H+NH4"	16.019271
"494069"	805.521471	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M-2H+NH4"	16.019271
"871506"	279.186671	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-2H+NH4"	16.019271
"38318"	547.309466	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M-2H+Na"	20.974666
"480066"	810.476866	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M-2H+Na"	20.974666
"859693"	284.142066	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-2H+Na"	20.974666
"1625214"	284.142066	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Na-2H"	20.974666
"99557"	280.148463	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M-H+Cl"	33.962126
"545680"	411.732163	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M-H+Cl"	33.962126
"938102"	148.564763	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-H+Cl"	33.962126
"271191"	561.304202	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+Cl"	34.969402
"672367"	824.471602	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+Cl"	34.969402
"1273105"	298.136802	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Cl"	34.969402
"15746"	563.283406	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M-2H+K"	36.948606
"460324"	826.450806	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M-2H+K"	36.948606
"841408"	300.116006	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-2H+K"	36.948606
"1560521"	300.116006	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+K-2H"	36.948606
"944396"	308.165594	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-H+HCOOH"	44.998194
"362611"	571.333001	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+HCOOH-H"	44.998201
"346859"	585.348651	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+Hac-H"	59.013851
"1493868"	322.181251	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Hac-H"	59.013851
"962504"	330.147551	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-H+NaCOOH"	66.980151
"111773"	298.136802	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+2Cl"	69.938804
"551336"	429.720502	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+2Cl"	69.938804
"1023056"	166.553102	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2Cl"	69.938804
"1244823"	342.086285	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Br"	78.918885
"1305079"	344.142272	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Cl+HCOOH"	80.974872
"1323674"	366.124229	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Cl+NaCOOH"	102.956829
"916917"	376.152986	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M-H+CF3COOH"	112.985586
"1296907"	412.129664	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Cl+CF3COOH"	148.962264
"1370694"	228.154724	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H-2H2O"	-35.012676
"1388193"	246.1647	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H-H2O"	-17.0027
"294442"	527.342076	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+H"	1.007276
"686864"	790.509476	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+H"	1.007276
"1364310"	264.174676	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H"	1.007276
"138289"	264.174676	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+2H"	2.014552
"578943"	395.758376	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+2H"	2.014552
"1049931"	132.590976	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2H"	2.014552
"216735"	176.452209333333	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+3H"	3.021828
"654110"	264.174676	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+3H"	3.021828
"1171142"	88.7297426666667	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+3H"	3.021828
"431498"	544.368623	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+NH4"	18.033823
"798330"	807.536023	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+NH4"	18.033823
"1690652"	281.201223	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+NH4"	18.033823
"340020"	272.6879495	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+H+NH4"	19.041099
"733535"	404.2716495	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+H+NH4"	19.041099
"1489543"	141.1042495	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H+NH4"	19.041099
"402758"	549.324018	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+Na"	22.989218
"762658"	812.491418	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+Na"	22.989218
"1612947"	286.156618	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Na"	22.989218
"324076"	275.165647	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+H+Na"	23.996494
"719415"	406.749347	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+H+Na"	23.996494
"1467037"	143.581947	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H+Na"	23.996494
"1058095"	96.0570566666667	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2H+Na"	25.00377
"1263056"	296.200886	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+CH3OH+H"	33.033486
"381631"	565.297958	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+K"	38.963158
"741533"	828.465358	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+K"	38.963158
"1544681"	302.130558	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+K"	38.963158
"306230"	283.152617	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+H+K"	39.970434
"697558"	414.736317	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+H+K"	39.970434
"1450286"	151.568917	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H+K"	39.970434
"243265"	568.368626	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+ACN+H"	42.033826
"1217067"	305.201226	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+ACN+H"	42.033826
"1203138"	153.104251	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+ACN+2H"	43.041102
"198197"	571.30596	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+2Na-H"	44.97116
"638849"	834.47336	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+2Na-H"	44.97116
"1139075"	308.13856	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2Na-H"	44.97116
"182366"	286.156618	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+2Na"	45.978436
"626299"	417.740318	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+2Na"	45.978436
"1122153"	154.572918	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2Na"	45.978436
"1403491"	103.384370666667	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H+2Na"	46.985712
"1438891"	310.180146	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H+HCOOH"	47.012746
"224939"	291.18964	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+3H2O+2H"	56.04448
"1517741"	324.23219	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+IsoProp+H"	61.06479
"414511"	294.143588	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+Na+K"	61.952376
"773317"	425.727288	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+Na+K"	61.952376
"1670744"	162.559888	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Na+K"	61.952376
"256535"	590.350568	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+ACN+Na"	64.015768
"1231794"	327.183168	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+ACN+Na"	64.015768
"1716310"	327.206693	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+NH4+HCOOH"	64.039293
"1184213"	110.711684666667	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+3Na"	68.967654
"1653378"	332.162088	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Na+HCOOH"	68.994688
"158418"	603.25384	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+2K-H"	76.91904
"597179"	866.42124	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+2K-H"	76.91904
"1084254"	340.08644	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2K-H"	76.91904
"141896"	302.130558	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"2M+2K"	77.926316
"586528"	433.714258	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"3M+2K"	77.926316
"1075419"	170.546858	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2K"	77.926316
"1103161"	342.100992	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2K+H"	78.933592
"1336262"	342.188607	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+DMSO+H"	79.021207
"1009169"	346.227776	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2ACN+H"	83.060376
"1525106"	347.221408	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+IsoProp+Na+H"	84.054008
"992648"	173.617526	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+2ACN+2H"	84.067652
"1590797"	348.136028	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+K+HCOOH"	84.968628
"1418286"	378.167538	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+H+CF3COOH"	115.000138
"1157324"	194.130801	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+3ACN+2H"	125.094202
"1702501"	395.194085	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+NH4+CF3COOH"	132.026685
"1635962"	400.14948	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+Na+CF3COOH"	136.98208
"1574899"	416.12342	"C16660"	"2-Ethyl-5-methyl-33-diphenyl-1-pyrroline;EMDP"	"C19H21N"	"263.1674"	"M+K+CF3COOH"	152.95602
"816773"	339.2198	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M"	0
"987549"	320.20141	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-H2O-H"	-19.01839
"65949"	225.139257333333	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M-3H"	-3.021828
"514258"	338.212524	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M-3H"	-3.021828
"883310"	112.065990666667	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-3H"	-3.021828
"789"	338.212524	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M-2H"	-2.014552
"444723"	507.822424	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M-2H"	-2.014552
"820704"	168.602624	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-2H"	-2.014552
"83612"	677.432324	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M-H"	-1.007276
"523171"	1016.652124	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M-H"	-1.007276
"900246"	338.212524	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-H"	-1.007276
"52798"	694.458871	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M-2H+NH4"	16.019271
"494180"	1033.678671	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M-2H+NH4"	16.019271
"870529"	355.239071	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-2H+NH4"	16.019271
"38431"	699.414266	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M-2H+Na"	20.974666
"480179"	1038.634066	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M-2H+Na"	20.974666
"855791"	360.194466	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-2H+Na"	20.974666
"1622410"	360.194466	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Na-2H"	20.974666
"100763"	356.200863	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M-H+Cl"	33.962126
"538135"	525.810763	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M-H+Cl"	33.962126
"932744"	186.590963	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-H+Cl"	33.962126
"270207"	713.409002	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+Cl"	34.969402
"663729"	1052.628802	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+Cl"	34.969402
"1274310"	374.189202	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Cl"	34.969402
"17221"	715.388206	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M-2H+K"	36.948606
"455813"	1054.608006	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M-2H+K"	36.948606
"834958"	376.168406	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-2H+K"	36.948606
"1556623"	376.168406	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+K-2H"	36.948606
"943045"	384.217994	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-H+HCOOH"	44.998194
"361559"	723.437801	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+HCOOH-H"	44.998201
"345991"	737.453451	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+Hac-H"	59.013851
"1494708"	398.233651	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Hac-H"	59.013851
"960064"	406.199951	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-H+NaCOOH"	66.980151
"111886"	374.189202	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+2Cl"	69.938804
"557649"	543.799102	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+2Cl"	69.938804
"1031917"	204.579302	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2Cl"	69.938804
"1244933"	418.138685	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Br"	78.918885
"1312851"	420.194672	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Cl+HCOOH"	80.974872
"1323785"	442.176629	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Cl+NaCOOH"	102.956829
"913747"	452.205386	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M-H+CF3COOH"	112.985586
"1292642"	488.182064	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Cl+CF3COOH"	148.962264
"1375178"	304.207124	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H-2H2O"	-35.012676
"1390489"	322.2171	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H-H2O"	-17.0027
"291269"	679.446876	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+H"	1.007276
"678227"	1018.666676	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+H"	1.007276
"1363324"	340.227076	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H"	1.007276
"138400"	340.227076	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+2H"	2.014552
"576867"	509.836976	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+2H"	2.014552
"1049676"	170.617176	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2H"	2.014552
"216847"	227.153809333333	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+3H"	3.021828
"655314"	340.227076	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+3H"	3.021828
"1175628"	114.080542666667	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+3H"	3.021828
"432339"	696.473423	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+NH4"	18.033823
"790058"	1035.693223	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+NH4"	18.033823
"1692948"	357.253623	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+NH4"	18.033823
"335757"	348.7403495	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+H+NH4"	19.041099
"729271"	518.3502495	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+H+NH4"	19.041099
"1483092"	179.1304495	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H+NH4"	19.041099
"401772"	701.428818	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+Na"	22.989218
"762769"	1040.648618	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+Na"	22.989218
"1610867"	362.209018	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Na"	22.989218
"320905"	351.218047	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+H+Na"	23.996494
"714421"	520.827947	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+H+Na"	23.996494
"1462773"	181.608147	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H+Na"	23.996494
"1058207"	121.407856666667	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2H+Na"	25.00377
"1259885"	372.253286	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+CH3OH+H"	33.033486
"381740"	717.402758	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+K"	38.963158
"742736"	1056.622558	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+K"	38.963158
"1546978"	378.182958	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+K"	38.963158
"305248"	359.205017	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+H+K"	39.970434
"696574"	528.814917	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+H+K"	39.970434
"1451490"	189.595117	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H+K"	39.970434
"243374"	720.473426	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+ACN+H"	42.033826
"1218270"	381.253626	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+ACN+H"	42.033826
"1207257"	191.130451	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+ACN+2H"	43.041102
"195027"	723.41076	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+2Na-H"	44.97116
"637866"	1062.63056	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+2Na-H"	44.97116
"1142466"	384.19096	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2Na-H"	44.97116
"181382"	362.209018	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+2Na"	45.978436
"625316"	531.818918	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+2Na"	45.978436
"1121534"	192.599118	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2Na"	45.978436
"1410895"	128.735170666667	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H+2Na"	46.985712
"1440095"	386.232546	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H+HCOOH"	47.012746
"225049"	367.24204	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+3H2O+2H"	56.04448
"1511654"	400.28459	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+IsoProp+H"	61.06479
"411340"	370.195988	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+Na+K"	61.952376
"771242"	539.805888	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+Na+K"	61.952376
"1669395"	200.586088	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Na+K"	61.952376
"255916"	742.455368	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+ACN+Na"	64.015768
"1226802"	403.235568	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+ACN+Na"	64.015768
"1716421"	403.259093	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+NH4+HCOOH"	64.039293
"1178487"	136.062484666667	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+3Na"	68.967654
"1650036"	408.214488	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Na+HCOOH"	68.994688
"157805"	755.35864	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+2K-H"	76.91904
"599189"	1094.57844	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+2K-H"	76.91904
"1090262"	416.13884	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2K-H"	76.91904
"141522"	378.182958	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"2M+2K"	77.926316
"584452"	547.792858	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"3M+2K"	77.926316
"1078810"	208.573058	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2K"	77.926316
"1101206"	418.153392	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2K+H"	78.933592
"1337468"	418.241007	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+DMSO+H"	79.021207
"1006724"	422.280176	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2ACN+H"	83.060376
"1524971"	423.273808	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+IsoProp+Na+H"	84.054008
"990812"	211.643726	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+2ACN+2H"	84.067652
"1588720"	424.188428	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+K+HCOOH"	84.968628
"1423865"	454.219938	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+H+CF3COOH"	115.000138
"1155248"	232.157001	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+3ACN+2H"	125.094202
"1699331"	471.246485	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+NH4+CF3COOH"	132.026685
"1634738"	476.20188	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+Na+CF3COOH"	136.98208
"1575009"	492.17582	"C16661"	"L-alpha-Acetyl-N-normethadol;nor-LAAM"	"C22H29NO2"	"339.2198"	"M+K+CF3COOH"	152.95602
"810845"	325.2042	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M"	0
"987659"	306.18581	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-H2O-H"	-19.01839
"66059"	215.795524	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M-3H"	-3.021828
"514368"	324.196924	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M-3H"	-3.021828
"884514"	107.394124	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-3H"	-3.021828
"3088"	324.196924	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M-2H"	-2.014552
"444105"	486.799024	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M-2H"	-2.014552
"822637"	161.594824	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-2H"	-2.014552
"84086"	649.401124	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M-H"	-1.007276
"523281"	974.605324	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M-H"	-1.007276
"900356"	324.196924	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-H"	-1.007276
"53273"	666.427671	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M-2H+NH4"	16.019271
"492104"	991.631871	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M-2H+NH4"	16.019271
"870638"	341.223471	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-2H+NH4"	16.019271
"37447"	671.383066	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M-2H+Na"	20.974666
"480289"	996.587266	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M-2H+Na"	20.974666
"856994"	346.178866	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-2H+Na"	20.974666
"1625436"	346.178866	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Na-2H"	20.974666
"100873"	342.185263	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M-H+Cl"	33.962126
"545899"	504.787363	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M-H+Cl"	33.962126
"937227"	179.583163	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-H+Cl"	33.962126
"271410"	685.377802	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+Cl"	34.969402
"663110"	1010.582002	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+Cl"	34.969402
"1274784"	360.173602	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Cl"	34.969402
"16727"	687.357006	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M-2H+K"	36.948606
"456289"	1012.561206	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M-2H+K"	36.948606
"835068"	362.152806	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-2H+K"	36.948606
"1556368"	362.152806	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+K-2H"	36.948606
"943760"	370.202394	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-H+HCOOH"	44.998194
"362467"	695.406601	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+HCOOH-H"	44.998201
"346589"	709.422251	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+Hac-H"	59.013851
"1494817"	384.218051	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Hac-H"	59.013851
"961267"	392.184351	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-H+NaCOOH"	66.980151
"113454"	360.173602	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+2Cl"	69.938804
"553018"	522.775702	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+2Cl"	69.938804
"1026556"	197.571502	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2Cl"	69.938804
"1245043"	404.123085	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Br"	78.918885
"1312961"	406.179072	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Cl+HCOOH"	80.974872
"1324988"	428.161029	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Cl+NaCOOH"	102.956829
"913857"	438.189786	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M-H+CF3COOH"	112.985586
"1291660"	474.166464	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Cl+CF3COOH"	148.962264
"1373102"	290.191524	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H-2H2O"	-35.012676
"1388412"	308.2015	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H-H2O"	-17.0027
"289194"	651.415676	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+H"	1.007276
"679065"	976.619876	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+H"	1.007276
"1360154"	326.211476	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H"	1.007276
"137417"	326.211476	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+2H"	2.014552
"573697"	488.813576	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+2H"	2.014552
"1049056"	163.609376	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2H"	2.014552
"212583"	217.810076	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+3H"	3.021828
"655059"	326.211476	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+3H"	3.021828
"1171365"	109.408676	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+3H"	3.021828
"434636"	668.442223	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+NH4"	18.033823
"793448"	993.646423	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+NH4"	18.033823
"1690870"	343.238023	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+NH4"	18.033823
"338054"	334.7247495	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+H+NH4"	19.041099
"725736"	497.3268495	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+H+NH4"	19.041099
"1477608"	172.1226495	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H+NH4"	19.041099
"393495"	673.397618	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+Na"	22.989218
"761785"	998.601818	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+Na"	22.989218
"1610979"	348.193418	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Na"	22.989218
"322109"	337.202447	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+H+Na"	23.996494
"715624"	499.804547	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+H+Na"	23.996494
"1463248"	174.600347	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H+Na"	23.996494
"1058317"	116.73599	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2H+Na"	25.00377
"1261088"	358.237686	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+CH3OH+H"	33.033486
"382943"	689.371558	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+K"	38.963158
"745033"	1014.575758	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+K"	38.963158
"1549276"	364.167358	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+K"	38.963158
"307546"	345.189417	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+H+K"	39.970434
"698874"	507.791517	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+H+K"	39.970434
"1454881"	182.587317	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H+K"	39.970434
"246765"	692.442226	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+ACN+H"	42.033826
"1221297"	367.238026	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+ACN+H"	42.033826
"1209558"	184.122651	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+ACN+2H"	43.041102
"201697"	695.37956	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+2Na-H"	44.97116
"637976"	1020.58376	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+2Na-H"	44.97116
"1142211"	370.17536	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2Na-H"	44.97116
"184772"	348.193418	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+2Na"	45.978436
"627613"	510.795518	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+2Na"	45.978436
"1125654"	185.591318	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2Na"	45.978436
"1408089"	124.063304	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H+2Na"	46.985712
"1438017"	372.216946	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H+HCOOH"	47.012746
"226620"	353.22644	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+3H2O+2H"	56.04448
"1511764"	386.26899	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+IsoProp+H"	61.06479
"411085"	356.180388	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+Na+K"	61.952376
"770987"	518.782488	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+Na+K"	61.952376
"1668046"	193.578288	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Na+K"	61.952376
"254565"	714.424168	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+ACN+Na"	64.015768
"1226182"	389.219968	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+ACN+Na"	64.015768
"1715436"	389.243493	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+NH4+HCOOH"	64.039293
"1179203"	131.390618	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+3Na"	68.967654
"1654326"	394.198888	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Na+HCOOH"	68.994688
"157915"	727.32744	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+2K-H"	76.91904
"599299"	1052.53164	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+2K-H"	76.91904
"1090372"	402.12324	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2K-H"	76.91904
"142197"	364.167358	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"2M+2K"	77.926316
"582129"	526.769458	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"3M+2K"	77.926316
"1075640"	201.565258	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2K"	77.926316
"1100096"	404.137792	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2K+H"	78.933592
"1335994"	404.225407	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+DMSO+H"	79.021207
"1006340"	408.264576	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2ACN+H"	83.060376
"1524470"	409.258208	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+IsoProp+Na+H"	84.054008
"990313"	204.635926	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+2ACN+2H"	84.067652
"1588464"	410.172828	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+K+HCOOH"	84.968628
"1425068"	440.204338	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+H+CF3COOH"	115.000138
"1155358"	225.149201	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+3ACN+2H"	125.094202
"1697116"	457.230885	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+NH4+CF3COOH"	132.026685
"1634524"	462.18628	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+Na+CF3COOH"	136.98208
"1575119"	478.16022	"C16662"	"L-alpha-Acetyl-NN-dinormethadol;dinor-LAAM"	"C21H27NO2"	"325.2042"	"M+K+CF3COOH"	152.95602
"816873"	242.2246	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M"	0
"986679"	223.20621	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-H2O-H"	-19.01839
"71637"	160.475790666667	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M-3H"	-3.021828
"509012"	241.217324	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M-3H"	-3.021828
"882441"	79.7342573333333	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-3H"	-3.021828
"4291"	241.217324	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H"	-2.014552
"441424"	362.329624	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H"	-2.014552
"821656"	120.105024	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-2H"	-2.014552
"83834"	483.441924	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M-H"	-1.007276
"522665"	725.666524	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M-H"	-1.007276
"900102"	241.217324	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-H"	-1.007276
"53382"	500.468471	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H+NH4"	16.019271
"490757"	742.693071	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H+NH4"	16.019271
"868562"	258.243871	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-2H+NH4"	16.019271
"44119"	505.423866	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H+Na"	20.974666
"484773"	747.648466	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H+Na"	20.974666
"859294"	263.199266	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-2H+Na"	20.974666
"1629922"	263.199266	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Na-2H"	20.974666
"102074"	259.205663	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M-H+Cl"	33.962126
"547102"	380.317963	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M-H+Cl"	33.962126
"928957"	138.093363	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-H+Cl"	33.962126
"268240"	519.418602	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+Cl"	34.969402
"662853"	761.643202	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+Cl"	34.969402
"1277447"	277.194002	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl"	34.969402
"17816"	521.397806	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M-2H+K"	36.948606
"457007"	763.622406	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M-2H+K"	36.948606
"833716"	279.173206	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-2H+K"	36.948606
"1558664"	279.173206	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+K-2H"	36.948606
"943748"	287.222794	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-H+HCOOH"	44.998194
"362571"	529.447401	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+HCOOH-H"	44.998201
"348647"	543.463051	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+Hac-H"	59.013851
"1496385"	301.238451	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Hac-H"	59.013851
"962835"	309.204751	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-H+NaCOOH"	66.980151
"112473"	277.194002	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+2Cl"	69.938804
"554589"	398.306302	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+2Cl"	69.938804
"1026670"	156.081702	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2Cl"	69.938804
"1250622"	321.143485	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Br"	78.918885
"1310884"	323.199472	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl+HCOOH"	80.974872
"1323277"	345.181429	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl+NaCOOH"	102.956829
"913239"	355.210186	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M-H+CF3COOH"	112.985586
"1289583"	391.186864	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Cl+CF3COOH"	148.962264
"1371025"	207.211924	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H-2H2O"	-35.012676
"1387430"	225.2219	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H-H2O"	-17.0027
"292587"	485.456476	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+H"	1.007276
"683917"	727.681076	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+H"	1.007276
"1359170"	243.231876	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H"	1.007276
"138257"	243.231876	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+2H"	2.014552
"574902"	364.344176	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+2H"	2.014552
"1041876"	122.119576	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2H"	2.014552
"211601"	162.490342666667	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+3H"	3.021828
"652254"	243.231876	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+3H"	3.021828
"1167462"	81.7488093333333	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+3H"	3.021828
"428550"	502.483023	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+NH4"	18.033823
"788814"	744.707623	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+NH4"	18.033823
"1688793"	260.258423	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+NH4"	18.033823
"334884"	251.7451495	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+H+NH4"	19.041099
"731679"	372.8574495	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+H+NH4"	19.041099
"1486593"	130.6328495	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H+NH4"	19.041099
"400903"	507.438418	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+Na"	22.989218
"760806"	749.663018	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+Na"	22.989218
"1605622"	265.213818	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Na"	22.989218
"320032"	254.222847	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+H+Na"	23.996494
"711360"	375.335147	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+H+Na"	23.996494
"1464087"	133.110547	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H+Na"	23.996494
"1055145"	89.0761233333333	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2H+Na"	25.00377
"1264479"	275.258086	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+CH3OH+H"	33.033486
"381960"	523.412358	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+K"	38.963158
"745146"	765.636958	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+K"	38.963158
"1551573"	281.187758	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+K"	38.963158
"306562"	262.209817	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+H+K"	39.970434
"700077"	383.322117	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+H+K"	39.970434
"1454993"	141.097517	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H+K"	39.970434
"242506"	526.483026	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+ACN+H"	42.033826
"1217400"	284.258426	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+ACN+H"	42.033826
"1201283"	142.632851	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+ACN+2H"	43.041102
"196340"	529.42036	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+2Na-H"	44.97116
"641367"	771.64496	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+2Na-H"	44.97116
"1141593"	287.19576	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2Na-H"	44.97116
"181966"	265.213818	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+2Na"	45.978436
"619707"	386.326118	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+2Na"	45.978436
"1120302"	144.101518	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2Na"	45.978436
"1402731"	96.4034373333333	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H+2Na"	46.985712
"1435939"	289.237346	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H+HCOOH"	47.012746
"223446"	270.24684	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+3H2O+2H"	56.04448
"1512237"	303.28939	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+IsoProp+H"	61.06479
"411195"	273.200788	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+Na+K"	61.952376
"774016"	394.313088	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+Na+K"	61.952376
"1668889"	152.088488	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Na+K"	61.952376
"256135"	548.464968	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+ACN+Na"	64.015768
"1229573"	306.240368	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+ACN+Na"	64.015768
"1714814"	306.263893	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+NH4+HCOOH"	64.039293
"1181267"	103.730751333333	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+3Na"	68.967654
"1652981"	311.219288	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Na+HCOOH"	68.994688
"163129"	561.36824	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+2K-H"	76.91904
"603783"	803.59284	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+2K-H"	76.91904
"1093765"	319.14364	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2K-H"	76.91904
"150586"	281.187758	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"2M+2K"	77.926316
"585773"	402.300058	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"3M+2K"	77.926316
"1073564"	160.075458	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2K"	77.926316
"1101547"	321.158192	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2K+H"	78.933592
"1336588"	321.245807	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+DMSO+H"	79.021207
"1010958"	325.284976	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2ACN+H"	83.060376
"1526897"	326.278608	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+IsoProp+Na+H"	84.054008
"999546"	163.146126	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+2ACN+2H"	84.067652
"1598426"	327.193228	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+K+HCOOH"	84.968628
"1425178"	357.224738	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+H+CF3COOH"	115.000138
"1152186"	183.659401	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+3ACN+2H"	125.094202
"1699550"	374.251285	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+NH4+CF3COOH"	132.026685
"1634472"	379.20668	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+Na+CF3COOH"	136.98208
"1574137"	395.18062	"C16665"	"12-Methyltetradecanoic acid"	"C15H30O2"	"242.2246"	"M+K+CF3COOH"	152.95602
"808879"	153.079	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M"	0
"988608"	134.06061	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-H2O-H"	-19.01839
"71747"	101.045390666667	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M-3H"	-3.021828
"512402"	152.071724	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M-3H"	-3.021828
"880968"	50.0190573333333	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-3H"	-3.021828
"4401"	152.071724	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M-2H"	-2.014552
"440926"	228.611224	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M-2H"	-2.014552
"818485"	75.532224	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-2H"	-2.014552
"81757"	305.150724	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M-H"	-1.007276
"523503"	458.229724	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M-H"	-1.007276
"899119"	152.071724	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-H"	-1.007276
"53492"	322.177271	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M-2H+NH4"	16.019271
"490867"	475.256271	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M-2H+NH4"	16.019271
"869767"	169.098271	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-2H+NH4"	16.019271
"43136"	327.132666	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M-2H+Na"	20.974666
"484522"	480.211666	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M-2H+Na"	20.974666
"857217"	174.053666	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-2H+Na"	20.974666
"1628938"	174.053666	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Na-2H"	20.974666
"98906"	170.060063	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M-H+Cl"	33.962126
"541746"	246.599563	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M-H+Cl"	33.962126
"929067"	93.520563	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-H+Cl"	33.962126
"267864"	341.127402	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+Cl"	34.969402
"660775"	494.206402	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+Cl"	34.969402
"1276464"	188.048402	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Cl"	34.969402
"18654"	343.106606	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M-2H+K"	36.948606
"456757"	496.185606	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M-2H+K"	36.948606
"833012"	190.027606	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-2H+K"	36.948606
"1558774"	190.027606	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+K-2H"	36.948606
"943048"	198.077194	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-H+HCOOH"	44.998194
"362078"	351.156201	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+HCOOH-H"	44.998201
"348757"	365.171851	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+Hac-H"	59.013851
"1497589"	212.092851	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Hac-H"	59.013851
"960393"	220.059151	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-H+NaCOOH"	66.980151
"112583"	188.048402	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+2Cl"	69.938804
"553968"	264.587902	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+2Cl"	69.938804
"1027144"	111.508902	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2Cl"	69.938804
"1243441"	231.997885	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Br"	78.918885
"1309171"	234.053872	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Cl+HCOOH"	80.974872
"1324480"	256.035829	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Cl+NaCOOH"	102.956829
"913106"	266.064586	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M-H+CF3COOH"	112.985586
"1290787"	302.041264	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Cl+CF3COOH"	148.962264
"1373324"	118.066324	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H-2H2O"	-35.012676
"1391915"	136.0763	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H-H2O"	-17.0027
"292697"	307.165276	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+H"	1.007276
"684027"	460.244276	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+H"	1.007276
"1362560"	154.086276	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H"	1.007276
"135450"	154.086276	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+2H"	2.014552
"570638"	230.625776	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+2H"	2.014552
"1051465"	77.546776	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2H"	2.014552
"218882"	103.059942666667	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+3H"	3.021828
"656736"	154.086276	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+3H"	3.021828
"1167209"	52.0336093333333	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+3H"	3.021828
"431576"	324.191823	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+NH4"	18.033823
"791842"	477.270823	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+NH4"	18.033823
"1688903"	171.112823	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+NH4"	18.033823
"339368"	162.5995495	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+H+NH4"	19.041099
"731789"	239.1390495	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+H+NH4"	19.041099
"1487797"	86.0600495	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H+NH4"	19.041099
"402106"	329.147218	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+Na"	22.989218
"760916"	482.226218	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+Na"	22.989218
"1607919"	176.068218	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Na"	22.989218
"320142"	165.077247	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+H+Na"	23.996494
"712564"	241.616747	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+H+Na"	23.996494
"1465292"	88.537747	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H+Na"	23.996494
"1055255"	59.3609233333333	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2H+Na"	25.00377
"1262401"	186.112486	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+CH3OH+H"	33.033486
"382071"	345.121158	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+K"	38.963158
"740882"	498.200158	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+K"	38.963158
"1547310"	192.042158	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+K"	38.963158
"307765"	173.064217	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+H+K"	39.970434
"701281"	249.603717	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+H+K"	39.970434
"1451823"	96.524717	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H+K"	39.970434
"243709"	348.191826	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+ACN+H"	42.033826
"1216416"	195.112826	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+ACN+H"	42.033826
"1199571"	98.060051	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+ACN+2H"	43.041102
"196451"	351.12916	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+2Na-H"	44.97116
"640384"	504.20816	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+2Na-H"	44.97116
"1142797"	198.05016	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2Na-H"	44.97116
"184628"	176.068218	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+2Na"	45.978436
"620544"	252.607718	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+2Na"	45.978436
"1118226"	99.528718	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2Na"	45.978436
"1401748"	66.6882373333333	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H+2Na"	46.985712
"1432768"	200.091746	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H+HCOOH"	47.012746
"221368"	181.10124	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+3H2O+2H"	56.04448
"1510160"	214.14379	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+IsoProp+H"	61.06479
"410576"	184.055188	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+Na+K"	61.952376
"773398"	260.594688	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+Na+K"	61.952376
"1667179"	107.515688	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Na+K"	61.952376
"254422"	370.173768	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+ACN+Na"	64.015768
"1229321"	217.094768	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+ACN+Na"	64.015768
"1714560"	217.118293	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+NH4+HCOOH"	64.039293
"1180649"	74.0155513333333	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+3Na"	68.967654
"1651999"	222.073688	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Na+HCOOH"	68.994688
"163239"	383.07704	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+2K-H"	76.91904
"602800"	536.15604	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+2K-H"	76.91904
"1094968"	229.99804	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2K-H"	76.91904
"150695"	192.042158	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"2M+2K"	77.926316
"583452"	268.581658	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"3M+2K"	77.926316
"1073674"	115.502658	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2K"	77.926316
"1102629"	232.012592	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2K+H"	78.933592
"1336818"	232.100207	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+DMSO+H"	79.021207
"1007788"	236.139376	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2ACN+H"	83.060376
"1524690"	237.133008	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+IsoProp+Na+H"	84.054008
"991505"	118.573326	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+2ACN+2H"	84.067652
"1596349"	238.047628	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+K+HCOOH"	84.968628
"1422007"	268.079138	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+H+CF3COOH"	115.000138
"1150109"	139.086601	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+3ACN+2H"	125.094202
"1698200"	285.105685	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+NH4+CF3COOH"	132.026685
"1634582"	290.06108	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+Na+CF3COOH"	136.98208
"1574247"	306.03502	"C16666"	"Vanillylamine"	"C8H11NO2"	"153.079"	"M+K+CF3COOH"	152.95602
"808990"	512.4441	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M"	0
"980335"	493.42571	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-H2O-H"	-19.01839
"66393"	340.622124	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M-3H"	-3.021828
"503397"	511.436824	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M-3H"	-3.021828
"883750"	169.807424	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-3H"	-3.021828
"1111"	511.436824	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M-2H"	-2.014552
"442983"	767.658874	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M-2H"	-2.014552
"818232"	255.214774	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-2H"	-2.014552
"82959"	1023.880924	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M-H"	-1.007276
"520336"	1536.325024	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M-H"	-1.007276
"897044"	511.436824	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-H"	-1.007276
"49234"	1040.907471	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M-2H+NH4"	16.019271
"493171"	1553.351571	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M-2H+NH4"	16.019271
"875346"	528.463371	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-2H+NH4"	16.019271
"37779"	1045.862866	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M-2H+Na"	20.974666
"479526"	1558.306966	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M-2H+Na"	20.974666
"858421"	533.418766	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-2H+Na"	20.974666
"1623582"	533.418766	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Na-2H"	20.974666
"101203"	529.425163	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M-H+Cl"	33.962126
"535295"	785.647213	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M-H+Cl"	33.962126
"928813"	273.203113	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-H+Cl"	33.962126
"268833"	1059.857602	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+Cl"	34.969402
"660240"	1572.301702	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+Cl"	34.969402
"1272774"	547.413502	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Cl"	34.969402
"15771"	1061.836806	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M-2H+K"	36.948606
"455902"	1574.280906	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M-2H+K"	36.948606
"832916"	549.392706	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-2H+K"	36.948606
"1555962"	549.392706	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+K-2H"	36.948606
"943239"	557.442294	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-H+HCOOH"	44.998194
"361493"	1069.886401	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+HCOOH-H"	44.998201
"345946"	1083.902051	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+Hac-H"	59.013851
"1495514"	571.457951	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Hac-H"	59.013851
"964154"	579.424251	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-H+NaCOOH"	66.980151
"111237"	547.413502	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+2Cl"	69.938804
"555903"	803.635552	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+2Cl"	69.938804
"1026890"	291.191452	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2Cl"	69.938804
"1247563"	591.362985	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Br"	78.918885
"1307095"	593.418972	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Cl+HCOOH"	80.974872
"1320943"	615.400929	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Cl+NaCOOH"	102.956829
"912124"	625.429686	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M-H+CF3COOH"	112.985586
"1290897"	661.406364	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Cl+CF3COOH"	148.962264
"1367550"	477.431424	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H-2H2O"	-35.012676
"1385827"	495.4414	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H-H2O"	-17.0027
"290617"	1025.895476	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+H"	1.007276
"680851"	1538.339576	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+H"	1.007276
"1362667"	513.451376	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H"	1.007276
"137746"	513.451376	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+2H"	2.014552
"577307"	769.673426	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+2H"	2.014552
"1049753"	257.229326	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2H"	2.014552
"209634"	342.636676	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+3H"	3.021828
"648102"	513.451376	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+3H"	3.021828
"1171697"	171.821976	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+3H"	3.021828
"430595"	1042.922023	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+NH4"	18.033823
"792683"	1555.366123	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+NH4"	18.033823
"1691199"	530.477923	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+NH4"	18.033823
"340572"	521.9646495	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+H+NH4"	19.041099
"731899"	778.1866995	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+H+NH4"	19.041099
"1486814"	265.7425995	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H+NH4"	19.041099
"403307"	1047.877418	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+Na"	22.989218
"763212"	1560.321518	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+Na"	22.989218
"1610216"	535.433318	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Na"	22.989218
"322442"	524.442347	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+H+Na"	23.996494
"711579"	780.664397	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+H+Na"	23.996494
"1469775"	268.220297	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H+Na"	23.996494
"1054270"	179.14929	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2H+Na"	25.00377
"1262511"	545.477586	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+CH3OH+H"	33.033486
"381087"	1063.851358	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+K"	38.963158
"743178"	1576.295458	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+K"	38.963158
"1545233"	551.407258	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+K"	38.963158
"304959"	532.429317	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+H+K"	39.970434
"694831"	788.651367	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+H+K"	39.970434
"1454123"	276.207267	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H+K"	39.970434
"241632"	1066.922026	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+ACN+H"	42.033826
"1216527"	554.477926	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+ACN+H"	42.033826
"1200774"	277.742601	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+ACN+2H"	43.041102
"201665"	1069.85936	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+2Na-H"	44.97116
"638309"	1582.30346	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+2Na-H"	44.97116
"1142909"	557.41526	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2Na-H"	44.97116
"186198"	535.433318	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+2Na"	45.978436
"619561"	791.655368	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+2Na"	45.978436
"1118336"	279.211268	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2Na"	45.978436
"1400766"	186.476604	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H+2Na"	46.985712
"1431786"	559.456846	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H+HCOOH"	47.012746
"220749"	540.46634	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+3H2O+2H"	56.04448
"1510636"	573.50889	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+IsoProp+H"	61.06479
"411053"	543.420288	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+Na+K"	61.952376
"774601"	799.642338	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+Na+K"	61.952376
"1668018"	287.198238	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Na+K"	61.952376
"254535"	1088.903968	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+ACN+Na"	64.015768
"1230159"	576.459868	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+ACN+Na"	64.015768
"1715768"	576.483393	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+NH4+HCOOH"	64.039293
"1181127"	193.803918	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+3Na"	68.967654
"1665118"	581.438788	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Na+HCOOH"	68.994688
"164443"	1101.80724	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+2K-H"	76.91904
"608379"	1614.25134	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+2K-H"	76.91904
"1093984"	589.36314	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2K-H"	76.91904
"146433"	551.407258	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"2M+2K"	77.926316
"584899"	807.629308	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"3M+2K"	77.926316
"1074876"	295.185208	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2K"	77.926316
"1102254"	591.377692	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2K+H"	78.933592
"1338274"	591.465307	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+DMSO+H"	79.021207
"1007290"	595.504476	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2ACN+H"	83.060376
"1527847"	596.498108	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+IsoProp+Na+H"	84.054008
"999765"	298.255876	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+2ACN+2H"	84.067652
"1594270"	597.412728	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+K+HCOOH"	84.968628
"1422117"	627.444238	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+H+CF3COOH"	115.000138
"1150219"	318.769151	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+3ACN+2H"	125.094202
"1706335"	644.470785	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+NH4+CF3COOH"	132.026685
"1634937"	649.42618	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+Na+CF3COOH"	136.98208
"1574356"	665.40012	"C16667"	"12-Dimyristyl-sn-glycerol;12-Ditetradecanoyl-sn-glycerol"	"C31H60O5"	"512.4441"	"M+K+CF3COOH"	152.95602
"814569"	125.0477	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M"	0
"984820"	106.02931	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-H2O-H"	-19.01839
"65410"	82.3578573333333	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M-3H"	-3.021828
"506063"	124.040424	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M-3H"	-3.021828
"881675"	40.6752906666667	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-3H"	-3.021828
"1345"	124.040424	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M-2H"	-2.014552
"443095"	186.564274	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M-2H"	-2.014552
"819804"	61.516574	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-2H"	-2.014552
"80520"	249.088124	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M-H"	-1.007276
"521544"	374.135824	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M-H"	-1.007276
"898252"	124.040424	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-H"	-1.007276
"58098"	266.114671	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M-2H+NH4"	16.019271
"498631"	391.162371	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M-2H+NH4"	16.019271
"876554"	141.066971	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-2H+NH4"	16.019271
"45062"	271.070066	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M-2H+Na"	20.974666
"481827"	396.117766	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M-2H+Na"	20.974666
"859629"	146.022366	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-2H+Na"	20.974666
"1623693"	146.022366	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Na-2H"	20.974666
"98034"	142.028763	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M-H+Cl"	33.962126
"536139"	204.552613	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M-H+Cl"	33.962126
"928929"	79.504913	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-H+Cl"	33.962126
"268942"	285.064802	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+Cl"	34.969402
"660430"	410.112502	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+Cl"	34.969402
"1273646"	160.017102	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Cl"	34.969402
"16035"	287.044006	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M-2H+K"	36.948606
"459894"	412.091706	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M-2H+K"	36.948606
"833686"	161.996306	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-2H+K"	36.948606
"1556032"	161.996306	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+K-2H"	36.948606
"944328"	170.045894	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-H+HCOOH"	44.998194
"362908"	295.093601	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+HCOOH-H"	44.998201
"348251"	309.109251	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+Hac-H"	59.013851
"1494534"	184.061551	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Hac-H"	59.013851
"964264"	192.027851	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-H+NaCOOH"	66.980151
"112076"	160.017102	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+2Cl"	69.938804
"561482"	222.540952	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+2Cl"	69.938804
"1029555"	97.493252	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2Cl"	69.938804
"1246217"	203.966585	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Br"	78.918885
"1309395"	206.022572	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Cl+HCOOH"	80.974872
"1323973"	228.004529	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Cl+NaCOOH"	102.956829
"912844"	238.033286	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M-H+CF3COOH"	112.985586
"1290645"	274.009964	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Cl+CF3COOH"	148.962264
"1370994"	90.035024	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H-2H2O"	-35.012676
"1384845"	108.045	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H-H2O"	-17.0027
"285624"	251.102676	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+H"	1.007276
"680962"	376.150376	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+H"	1.007276
"1359500"	126.054976	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H"	1.007276
"137127"	126.054976	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+2H"	2.014552
"574866"	188.578826	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+2H"	2.014552
"1048041"	63.531126	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2H"	2.014552
"215212"	84.3724093333333	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+3H"	3.021828
"655502"	126.054976	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+3H"	3.021828
"1171807"	42.6898426666667	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+3H"	3.021828
"437266"	268.129223	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+NH4"	18.033823
"789511"	393.176923	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+NH4"	18.033823
"1689123"	143.081523	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+NH4"	18.033823
"339589"	134.5682495	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+H+NH4"	19.041099
"733104"	197.0920995	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+H+NH4"	19.041099
"1486927"	72.0443995	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H+NH4"	19.041099
"404514"	273.084618	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+Na"	22.989218
"766239"	398.132318	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+Na"	22.989218
"1609234"	148.036918	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Na"	22.989218
"323647"	137.045947	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+H+Na"	23.996494
"717891"	199.569797	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+H+Na"	23.996494
"1467698"	74.522097	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H+Na"	23.996494
"1060943"	50.0171566666667	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2H+Na"	25.00377
"1265902"	158.081186	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+CH3OH+H"	33.033486
"382293"	289.058558	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+K"	38.963158
"743291"	414.106258	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+K"	38.963158
"1549352"	164.010858	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+K"	38.963158
"302884"	145.032917	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+H+K"	39.970434
"701507"	207.556767	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+H+K"	39.970434
"1456057"	82.509067	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H+K"	39.970434
"246846"	292.129226	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+ACN+H"	42.033826
"1217731"	167.081526	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+ACN+H"	42.033826
"1204894"	84.044401	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+ACN+2H"	43.041102
"201050"	295.06656	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+2Na-H"	44.97116
"641336"	420.11426	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+2Na-H"	44.97116
"1144477"	170.01886	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2Na-H"	44.97116
"179748"	148.036918	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+2Na"	45.978436
"621500"	210.560768	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+2Na"	45.978436
"1119538"	85.513068	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2Na"	45.978436
"1401601"	57.3444706666667	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H+2Na"	46.985712
"1432993"	172.060446	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H+HCOOH"	47.012746
"222689"	153.06994	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+3H2O+2H"	56.04448
"1510750"	186.11249	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+IsoProp+H"	61.06479
"411529"	156.023888	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+Na+K"	61.952376
"774712"	218.547738	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+Na+K"	61.952376
"1668129"	93.500038	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Na+K"	61.952376
"255011"	314.111168	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+ACN+Na"	64.015768
"1232094"	189.063468	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+ACN+Na"	64.015768
"1714785"	189.086993	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+NH4+HCOOH"	64.039293
"1181237"	64.6717846666667	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+3Na"	68.967654
"1665107"	194.042388	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Na+HCOOH"	68.994688
"165654"	327.01444	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+2K-H"	76.91904
"606306"	452.06214	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+2K-H"	76.91904
"1088633"	201.96674	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2K-H"	76.91904
"146543"	164.010858	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"2M+2K"	77.926316
"584278"	226.534708	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"3M+2K"	77.926316
"1072073"	101.487008	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2K"	77.926316
"1103095"	203.981292	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2K+H"	78.933592
"1343493"	204.068907	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+DMSO+H"	79.021207
"1017490"	208.108076	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2ACN+H"	83.060376
"1529053"	209.101708	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+IsoProp+Na+H"	84.054008
"997691"	104.557676	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+2ACN+2H"	84.067652
"1594381"	210.016328	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+K+HCOOH"	84.968628
"1418948"	240.047838	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+H+CF3COOH"	115.000138
"1155798"	125.070951	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+3ACN+2H"	125.094202
"1700974"	257.074385	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+NH4+CF3COOH"	132.026685
"1634682"	262.02978	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+Na+CF3COOH"	136.98208
"1572400"	278.00372	"C16671"	"36-Dihydronicotinic acid"	"C6H7NO2"	"125.0477"	"M+K+CF3COOH"	152.95602
"801755"	352.1093	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M"	0
"974961"	333.09091	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-H2O-H"	-19.01839
"64058"	233.732257333333	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M-3H"	-3.021828
"504224"	351.102024	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M-3H"	-3.021828
"880402"	116.362490666667	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-3H"	-3.021828
"845"	351.102024	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M-2H"	-2.014552
"444298"	527.156674	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M-2H"	-2.014552
"821002"	175.047374	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-2H"	-2.014552
"82454"	703.211324	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M-H"	-1.007276
"522747"	1055.320624	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M-H"	-1.007276
"899454"	351.102024	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-H"	-1.007276
"50548"	720.237871	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M-2H+NH4"	16.019271
"492296"	1072.347171	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M-2H+NH4"	16.019271
"872287"	368.128571	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-2H+NH4"	16.019271
"39094"	725.193266	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M-2H+Na"	20.974666
"478657"	1077.302566	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M-2H+Na"	20.974666
"857550"	373.083966	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-2H+Na"	20.974666
"1623802"	373.083966	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Na-2H"	20.974666
"95956"	369.090363	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M-H+Cl"	33.962126
"535071"	545.145013	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M-H+Cl"	33.962126
"928304"	193.035713	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-H+Cl"	33.962126
"267387"	739.188002	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+Cl"	34.969402
"660373"	1091.297302	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+Cl"	34.969402
"1273555"	387.078702	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Cl"	34.969402
"15749"	741.167206	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M-2H+K"	36.948606
"455694"	1093.276506	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M-2H+K"	36.948606
"834283"	389.057906	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-2H+K"	36.948606
"1556269"	389.057906	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+K-2H"	36.948606
"944806"	397.107494	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-H+HCOOH"	44.998194
"363022"	749.216801	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+HCOOH-H"	44.998201
"350186"	763.232451	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+Hac-H"	59.013851
"1494640"	411.123151	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Hac-H"	59.013851
"958944"	419.089451	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-H+NaCOOH"	66.980151
"111822"	387.078702	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+2Cl"	69.938804
"550774"	563.133352	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+2Cl"	69.938804
"1028935"	211.024052	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2Cl"	69.938804
"1243772"	431.028185	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Br"	78.918885
"1309502"	433.084172	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Cl+HCOOH"	80.974872
"1324448"	455.066129	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Cl+NaCOOH"	102.956829
"912465"	465.094886	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M-H+CF3COOH"	112.985586
"1291117"	501.071564	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Cl+CF3COOH"	148.962264
"1370372"	317.096624	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H-2H2O"	-35.012676
"1392246"	335.1066	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H-H2O"	-17.0027
"287555"	705.225876	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+H"	1.007276
"684355"	1057.335176	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+H"	1.007276
"1359612"	353.116576	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H"	1.007276
"130314"	353.116576	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+2H"	2.014552
"576435"	529.171226	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+2H"	2.014552
"1051678"	177.061926	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2H"	2.014552
"216416"	235.746809333333	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+3H"	3.021828
"652698"	353.116576	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+3H"	3.021828
"1173013"	118.377042666667	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+3H"	3.021828
"434094"	722.252423	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+NH4"	18.033823
"797276"	1074.361723	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+NH4"	18.033823
"1690326"	370.143123	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+NH4"	18.033823
"340791"	361.6298495	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+H+NH4"	19.041099
"731027"	537.6844995	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+H+NH4"	19.041099
"1487036"	185.5751995	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H+NH4"	19.041099
"401344"	727.207818	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+Na"	22.989218
"764526"	1079.317118	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+Na"	22.989218
"1613715"	375.098518	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Na"	22.989218
"325939"	364.107547	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+H+Na"	23.996494
"719094"	540.162197	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+H+Na"	23.996494
"1471089"	188.052897	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H+Na"	23.996494
"1062147"	125.704356666667	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2H+Na"	25.00377
"1266012"	385.142786	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+CH3OH+H"	33.033486
"383496"	743.181758	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+K"	38.963158
"749960"	1095.291058	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+K"	38.963158
"1543632"	391.072458	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+K"	38.963158
"305914"	372.094517	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+H+K"	39.970434
"699432"	548.149167	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+H+K"	39.970434
"1458355"	196.039867	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H+K"	39.970434
"248049"	746.252426	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+ACN+H"	42.033826
"1221123"	394.143126	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+ACN+H"	42.033826
"1203913"	197.575201	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+ACN+2H"	43.041102
"198241"	749.18976	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+2Na-H"	44.97116
"639258"	1101.29906	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+2Na-H"	44.97116
"1144222"	397.08046	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2Na-H"	44.97116
"182045"	375.098518	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+2Na"	45.978436
"622705"	551.153168	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+2Na"	45.978436
"1121835"	199.043868	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2Na"	45.978436
"1403173"	133.031670666667	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H+2Na"	46.985712
"1438209"	399.122046	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H+HCOOH"	47.012746
"227903"	380.13154	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+3H2O+2H"	56.04448
"1515964"	413.17409	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+IsoProp+H"	61.06479
"415654"	383.085488	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+Na+K"	61.952376
"777379"	559.140138	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+Na+K"	61.952376
"1672249"	207.030838	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Na+K"	61.952376
"260589"	768.234368	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+ACN+Na"	64.015768
"1231478"	416.125068	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+ACN+Na"	64.015768
"1715994"	416.148593	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+NH4+HCOOH"	64.039293
"1183896"	140.358984666667	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+3Na"	68.967654
"1659992"	421.103988	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Na+HCOOH"	68.994688
"161024"	781.13764	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+2K-H"	76.91904
"600585"	1133.24694	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+2K-H"	76.91904
"1092018"	429.02834	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2K-H"	76.91904
"143004"	391.072458	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"2M+2K"	77.926316
"585481"	567.127108	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"3M+2K"	77.926316
"1071455"	215.017808	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2K"	77.926316
"1105031"	431.042892	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2K+H"	78.933592
"1349924"	431.130507	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+DMSO+H"	79.021207
"1015414"	435.169676	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2ACN+H"	83.060376
"1530262"	436.163308	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+IsoProp+Na+H"	84.054008
"996706"	218.088476	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+2ACN+2H"	84.067652
"1591211"	437.077928	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+K+HCOOH"	84.968628
"1419058"	467.109438	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+H+CF3COOH"	115.000138
"1152627"	238.601751	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+3ACN+2H"	125.094202
"1701084"	484.135985	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+NH4+CF3COOH"	132.026685
"1634552"	489.09138	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+Na+CF3COOH"	136.98208
"1573485"	505.06532	"C16672"	"Benzylpenicilloic acid"	"C16H20N2O5S"	"352.1093"	"M+K+CF3COOH"	152.95602
"802273"	146.0691	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M"	0
"975197"	127.05071	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-H2O-H"	-19.01839
"63556"	96.372124	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M-3H"	-3.021828
"504092"	145.061824	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M-3H"	-3.021828
"880925"	47.682424	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-3H"	-3.021828
"591"	145.061824	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M-2H"	-2.014552
"440558"	218.096374	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M-2H"	-2.014552
"819048"	72.027274	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-2H"	-2.014552
"86579"	291.130924	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M-H"	-1.007276
"521766"	437.200024	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M-H"	-1.007276
"898475"	145.061824	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-H"	-1.007276
"49566"	308.157471	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M-2H+NH4"	16.019271
"495691"	454.226571	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M-2H+NH4"	16.019271
"869118"	162.088371	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-2H+NH4"	16.019271
"38113"	313.112866	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M-2H+Na"	20.974666
"475484"	459.181966	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M-2H+Na"	20.974666
"853286"	167.043766	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-2H+Na"	20.974666
"1620996"	167.043766	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Na-2H"	20.974666
"97162"	163.050163	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M-H+Cl"	33.962126
"534779"	236.084713	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M-H+Cl"	33.962126
"929147"	90.015613	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-H+Cl"	33.962126
"268065"	327.107602	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+Cl"	34.969402
"660978"	473.176702	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+Cl"	34.969402
"1273990"	181.038502	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Cl"	34.969402
"16421"	329.086806	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M-2H+K"	36.948606
"461213"	475.155906	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M-2H+K"	36.948606
"833788"	183.017706	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-2H+K"	36.948606
"1556911"	183.017706	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+K-2H"	36.948606
"945280"	191.067294	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-H+HCOOH"	44.998194
"363132"	337.136401	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+HCOOH-H"	44.998201
"346527"	351.152051	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+Hac-H"	59.013851
"1493904"	205.082951	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Hac-H"	59.013851
"959741"	213.049251	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-H+NaCOOH"	66.980151
"110718"	181.038502	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+2Cl"	69.938804
"551860"	254.073052	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+2Cl"	69.938804
"1024668"	108.003952	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2Cl"	69.938804
"1245707"	224.987985	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Br"	78.918885
"1305601"	227.043972	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Cl+HCOOH"	80.974872
"1322366"	249.025929	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Cl+NaCOOH"	102.956829
"911639"	259.054686	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M-H+CF3COOH"	112.985586
"1290500"	295.031364	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Cl+CF3COOH"	148.962264
"1370486"	111.056424	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H-2H2O"	-35.012676
"1385426"	129.0664	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H-H2O"	-17.0027
"285842"	293.145476	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+H"	1.007276
"678994"	439.214576	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+H"	1.007276
"1358628"	147.076376	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H"	1.007276
"130422"	147.076376	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+2H"	2.014552
"575454"	220.110926	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+2H"	2.014552
"1048994"	74.041826	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2H"	2.014552
"211060"	98.386676	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+3H"	3.021828
"657183"	147.076376	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+3H"	3.021828
"1172026"	49.696976	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+3H"	3.021828
"432020"	310.172023	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+NH4"	18.033823
"795201"	456.241123	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+NH4"	18.033823
"1688252"	164.102923	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+NH4"	18.033823
"336530"	155.5896495	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+H+NH4"	19.041099
"732231"	228.6241995	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+H+NH4"	19.041099
"1486051"	82.5550995	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H+NH4"	19.041099
"406557"	315.127418	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+Na"	22.989218
"761352"	461.196518	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+Na"	22.989218
"1608359"	169.058318	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Na"	22.989218
"328239"	158.067347	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+H+Na"	23.996494
"719568"	231.101897	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+H+Na"	23.996494
"1469013"	85.032797	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H+Na"	23.996494
"1060070"	57.02429	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2H+Na"	25.00377
"1263938"	179.102586	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+CH3OH+H"	33.033486
"382511"	331.101358	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+K"	38.963158
"743516"	477.170458	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+K"	38.963158
"1543014"	185.032258	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+K"	38.963158
"304933"	166.054317	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+H+K"	39.970434
"705010"	239.088867	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+H+K"	39.970434
"1454456"	93.019767	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H+K"	39.970434
"245244"	334.172026	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+ACN+H"	42.033826
"1221234"	188.102926	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+ACN+H"	42.033826
"1204023"	94.555101	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+ACN+2H"	43.041102
"199081"	337.10936	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+2Na-H"	44.97116
"638641"	483.17846	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+2Na-H"	44.97116
"1141054"	191.04026	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2Na-H"	44.97116
"183250"	169.058318	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+2Na"	45.978436
"621722"	242.092868	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+2Na"	45.978436
"1123045"	96.023768	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2Na"	45.978436
"1404383"	64.351604	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H+2Na"	46.985712
"1436497"	193.081846	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H+HCOOH"	47.012746
"228379"	174.09134	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+3H2O+2H"	56.04448
"1515349"	207.13389	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+IsoProp+H"	61.06479
"412850"	177.045288	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+Na+K"	61.952376
"779311"	250.079838	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+Na+K"	61.952376
"1669808"	104.010738	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Na+K"	61.952376
"253778"	356.153968	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+ACN+Na"	64.015768
"1227582"	210.084868	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+ACN+Na"	64.015768
"1717199"	210.108393	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+NH4+HCOOH"	64.039293
"1181458"	71.678918	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+3Na"	68.967654
"1656093"	215.063788	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Na+HCOOH"	68.994688
"162955"	369.05724	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+2K-H"	76.91904
"606524"	515.12634	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+2K-H"	76.91904
"1085940"	222.98814	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2K-H"	76.91904
"143849"	185.032258	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"2M+2K"	77.926316
"583410"	258.066808	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"3M+2K"	77.926316
"1070594"	111.997708	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2K"	77.926316
"1102956"	225.002692	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2K+H"	78.933592
"1346995"	225.090307	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+DMSO+H"	79.021207
"1010058"	229.129476	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2ACN+H"	83.060376
"1530370"	230.123108	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+IsoProp+Na+H"	84.054008
"994630"	115.068376	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+2ACN+2H"	84.067652
"1594600"	231.037728	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+K+HCOOH"	84.968628
"1419169"	261.069238	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+H+CF3COOH"	115.000138
"1147998"	135.581651	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+3ACN+2H"	125.094202
"1697553"	278.095785	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+NH4+CF3COOH"	132.026685
"1634662"	283.05118	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+Na+CF3COOH"	136.98208
"1573595"	299.02512	"C16673"	"Isoglutamine;45-Diamino-5-oxopentanoic acid;DL-Isoglutamine"	"C5H10N2O3"	"146.0691"	"M+K+CF3COOH"	152.95602
"811620"	174.0641	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M"	0
"974229"	155.04571	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-H2O-H"	-19.01839
"62909"	115.035457333333	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M-3H"	-3.021828
"505302"	173.056824	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M-3H"	-3.021828
"883104"	57.0140906666667	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-3H"	-3.021828
"948"	173.056824	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M-2H"	-2.014552
"440506"	260.088874	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M-2H"	-2.014552
"824511"	86.024774	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-2H"	-2.014552
"83409"	347.120924	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M-H"	-1.007276
"521876"	521.185024	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M-H"	-1.007276
"904054"	173.056824	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-H"	-1.007276
"56242"	364.147471	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M-2H+NH4"	16.019271
"494708"	538.211571	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M-2H+NH4"	16.019271
"871417"	190.083371	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-2H+NH4"	16.019271
"34943"	369.102866	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M-2H+Na"	20.974666
"472435"	543.166966	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M-2H+Na"	20.974666
"851570"	195.038766	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-2H+Na"	20.974666
"1620254"	195.038766	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Na-2H"	20.974666
"96179"	191.045163	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M-H+Cl"	33.962126
"535743"	278.077213	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M-H+Cl"	33.962126
"927557"	104.013113	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-H+Cl"	33.962126
"270006"	383.097602	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+Cl"	34.969402
"662184"	557.161702	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+Cl"	34.969402
"1274344"	209.033502	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Cl"	34.969402
"18482"	385.076806	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M-2H+K"	36.948606
"455975"	559.140906	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M-2H+K"	36.948606
"834752"	211.012706	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-2H+K"	36.948606
"1555738"	211.012706	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+K-2H"	36.948606
"947213"	219.062294	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-H+HCOOH"	44.998194
"362147"	393.126401	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+HCOOH-H"	44.998201
"346762"	407.142051	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+Hac-H"	59.013851
"1495960"	233.077951	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Hac-H"	59.013851
"959128"	241.044251	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-H+NaCOOH"	66.980151
"115329"	209.033502	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+2Cl"	69.938804
"551119"	296.065552	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+2Cl"	69.938804
"1021860"	122.001452	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2Cl"	69.938804
"1241926"	252.982985	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Br"	78.918885
"1306439"	255.038972	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Cl+HCOOH"	80.974872
"1322476"	277.020929	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Cl+NaCOOH"	102.956829
"915722"	287.049686	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M-H+CF3COOH"	112.985586
"1292434"	323.026364	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Cl+CF3COOH"	148.962264
"1370229"	139.051424	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H-2H2O"	-35.012676
"1385902"	157.0614	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H-H2O"	-17.0027
"285953"	349.135476	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+H"	1.007276
"679105"	523.199576	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+H"	1.007276
"1353268"	175.071376	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H"	1.007276
"126522"	175.071376	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+2H"	2.014552
"573377"	262.103426	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+2H"	2.014552
"1050561"	88.039326	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2H"	2.014552
"207893"	117.050009333333	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+3H"	3.021828
"655838"	175.071376	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+3H"	3.021828
"1169950"	59.0286426666667	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+3H"	3.021828
"435411"	366.162023	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+NH4"	18.033823
"790937"	540.226123	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+NH4"	18.033823
"1688362"	192.097923	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+NH4"	18.033823
"337734"	183.5846495	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+H+NH4"	19.041099
"731247"	270.6166995	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+H+NH4"	19.041099
"1486162"	96.5525995	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H+NH4"	19.041099
"400468"	371.117418	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+Na"	22.989218
"760369"	545.181518	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+Na"	22.989218
"1611748"	197.053318	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Na"	22.989218
"320691"	186.062347	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+H+Na"	23.996494
"714208"	273.094397	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+H+Na"	23.996494
"1465111"	99.030297	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H+Na"	23.996494
"1055807"	66.3559566666667	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2H+Na"	25.00377
"1261130"	207.097586	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+CH3OH+H"	33.033486
"382622"	387.091358	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+K"	38.963158
"749825"	561.155458	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+K"	38.963158
"1551513"	213.027258	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+K"	38.963158
"313430"	194.049317	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+H+K"	39.970434
"705487"	281.081367	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+H+K"	39.970434
"1449099"	107.017267	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H+K"	39.970434
"243168"	390.162026	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+ACN+H"	42.033826
"1219157"	216.097926	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+ACN+H"	42.033826
"1199760"	108.552601	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+ACN+2H"	43.041102
"197733"	393.09936	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+2Na-H"	44.97116
"636564"	567.16346	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+2Na-H"	44.97116
"1140070"	219.03526	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2Na-H"	44.97116
"174734"	197.053318	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+2Na"	45.978436
"614540"	284.085368	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+2Na"	45.978436
"1124979"	110.021268	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2Na"	45.978436
"1404489"	73.6832706666667	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H+2Na"	46.985712
"1433324"	221.076846	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H+HCOOH"	47.012746
"226300"	202.08634	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+3H2O+2H"	56.04448
"1513634"	235.12889	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+IsoProp+H"	61.06479
"416235"	205.040288	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+Na+K"	61.952376
"775044"	292.072338	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+Na+K"	61.952376
"1669191"	118.008238	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Na+K"	61.952376
"253523"	412.143968	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+ACN+Na"	64.015768
"1236078"	238.079868	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+ACN+Na"	64.015768
"1721682"	238.103393	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+NH4+HCOOH"	64.039293
"1183394"	81.0105846666667	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+3Na"	68.967654
"1656932"	243.058788	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Na+HCOOH"	68.994688
"165250"	425.04724	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+2K-H"	76.91904
"600435"	599.11134	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+2K-H"	76.91904
"1086414"	250.98314	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2K-H"	76.91904
"142863"	213.027258	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"2M+2K"	77.926316
"583156"	300.059308	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"3M+2K"	77.926316
"1069854"	125.995208	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2K"	77.926316
"1106346"	252.997692	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2K+H"	78.933592
"1341638"	253.085307	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+DMSO+H"	79.021207
"1012355"	257.124476	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2ACN+H"	83.060376
"1531573"	258.118108	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+IsoProp+Na+H"	84.054008
"991822"	129.065876	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+2ACN+2H"	84.067652
"1589241"	259.032728	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+K+HCOOH"	84.968628
"1415999"	289.064238	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+H+CF3COOH"	115.000138
"1147747"	149.579151	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+3ACN+2H"	125.094202
"1698029"	306.090785	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+NH4+CF3COOH"	132.026685
"1639148"	311.04618	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+Na+CF3COOH"	136.98208
"1573705"	327.02012	"C16674"	"Formylisoglutamine;DL-Formylisoglutamine"	"C6H10N2O4"	"174.0641"	"M+K+CF3COOH"	152.95602
"801885"	179.0807	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M"	0
"974383"	160.06231	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-H2O-H"	-19.01839
"63027"	118.379857333333	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M-3H"	-3.021828
"502920"	178.073424	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M-3H"	-3.021828
"883214"	58.6862906666667	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-3H"	-3.021828
"1058"	178.073424	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M-2H"	-2.014552
"440620"	267.613774	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M-2H"	-2.014552
"823528"	88.533074	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-2H"	-2.014552
"82426"	357.154124	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M-H"	-1.007276
"520524"	536.234824	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M-H"	-1.007276
"897602"	178.073424	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-H"	-1.007276
"53072"	374.180671	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M-2H+NH4"	16.019271
"488257"	553.261371	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M-2H+NH4"	16.019271
"865087"	195.099971	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-2H+NH4"	16.019271
"32255"	379.136066	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M-2H+Na"	20.974666
"472906"	558.216766	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M-2H+Na"	20.974666
"849855"	200.055366	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-2H+Na"	20.974666
"1619755"	200.055366	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Na-2H"	20.974666
"95195"	196.061763	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M-H+Cl"	33.962126
"534348"	285.602113	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M-H+Cl"	33.962126
"928397"	106.521413	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-H+Cl"	33.962126
"270116"	393.130802	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+Cl"	34.969402
"662173"	572.211502	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+Cl"	34.969402
"1272989"	214.050102	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Cl"	34.969402
"18592"	395.110006	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M-2H+K"	36.948606
"458274"	574.190706	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M-2H+K"	36.948606
"835955"	216.029306	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-2H+K"	36.948606
"1555955"	216.029306	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+K-2H"	36.948606
"947323"	224.078894	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-H+HCOOH"	44.998194
"363353"	403.159601	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+HCOOH-H"	44.998201
"349425"	417.175251	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+Hac-H"	59.013851
"1502633"	238.094551	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Hac-H"	59.013851
"960331"	246.060851	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-H+NaCOOH"	66.980151
"117991"	214.050102	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+2Cl"	69.938804
"550744"	303.590452	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+2Cl"	69.938804
"1024889"	124.509752	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2Cl"	69.938804
"1245926"	257.999585	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Br"	78.918885
"1308008"	260.055572	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Cl+HCOOH"	80.974872
"1324776"	282.037529	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Cl+NaCOOH"	102.956829
"915107"	292.066286	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M-H+CF3COOH"	112.985586
"1298011"	328.042964	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Cl+CF3COOH"	148.962264
"1372891"	144.068024	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H-2H2O"	-35.012676
"1387108"	162.078	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H-H2O"	-17.0027
"286794"	359.168676	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+H"	1.007276
"681404"	538.249376	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+H"	1.007276
"1357754"	180.087976	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H"	1.007276
"129549"	180.087976	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+2H"	2.014552
"574580"	269.628326	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+2H"	2.014552
"1045933"	90.547626	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2H"	2.014552
"214567"	120.394409333333	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+3H"	3.021828
"655949"	180.087976	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+3H"	3.021828
"1174803"	60.7008426666667	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+3H"	3.021828
"436620"	376.195223	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+NH4"	18.033823
"797245"	555.275923	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+NH4"	18.033823
"1692848"	197.114523	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+NH4"	18.033823
"339668"	188.6012495	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+H+NH4"	19.041099
"730266"	278.1415995	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+H+NH4"	19.041099
"1491381"	99.0608995	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H+NH4"	19.041099
"400578"	381.150618	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+Na"	22.989218
"759386"	560.231318	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+Na"	22.989218
"1611860"	202.069918	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Na"	22.989218
"322629"	191.078947	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+H+Na"	23.996494
"713225"	280.619297	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+H+Na"	23.996494
"1465954"	101.538597	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H+Na"	23.996494
"1055919"	68.0281566666667	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2H+Na"	25.00377
"1263061"	212.114186	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+CH3OH+H"	33.033486
"382733"	397.124558	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+K"	38.963158
"749935"	576.205258	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+K"	38.963158
"1548707"	218.043858	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+K"	38.963158
"313783"	199.065917	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+H+K"	39.970434
"705961"	288.606267	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+H+K"	39.970434
"1452487"	109.525567	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H+K"	39.970434
"243277"	400.195226	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+ACN+H"	42.033826
"1218173"	221.114526	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+ACN+H"	42.033826
"1203150"	111.060901	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+ACN+2H"	43.041102
"200395"	403.13256	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+2Na-H"	44.97116
"637767"	582.21326	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+2Na-H"	44.97116
"1137995"	224.05186	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2Na-H"	44.97116
"175210"	202.069918	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+2Na"	45.978436
"614406"	291.610268	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+2Na"	45.978436
"1124360"	112.529568	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2Na"	45.978436
"1403507"	75.3554706666667	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H+2Na"	46.985712
"1434527"	226.093446	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H+HCOOH"	47.012746
"222766"	207.10294	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+3H2O+2H"	56.04448
"1512651"	240.14549	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+IsoProp+H"	61.06479
"418535"	210.056888	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+Na+K"	61.952376
"771875"	299.597238	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+Na+K"	61.952376
"1672581"	120.516538	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Na+K"	61.952376
"259098"	422.177168	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+ACN+Na"	64.015768
"1237277"	243.096468	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+ACN+Na"	64.015768
"1718509"	243.119993	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+NH4+HCOOH"	64.039293
"1182776"	82.6827846666667	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+3Na"	68.967654
"1654856"	248.075388	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Na+HCOOH"	68.994688
"162445"	435.08044	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+2K-H"	76.91904
"601640"	614.16114	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+2K-H"	76.91904
"1085796"	255.99974	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2K-H"	76.91904
"143703"	218.043858	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"2M+2K"	77.926316
"585453"	307.584208	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"3M+2K"	77.926316
"1071423"	128.503508	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2K"	77.926316
"1103176"	258.014292	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2K+H"	78.933592
"1340654"	258.101907	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+DMSO+H"	79.021207
"1008091"	262.141076	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2ACN+H"	83.060376
"1529496"	263.134708	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+IsoProp+Na+H"	84.054008
"991567"	131.574176	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+2ACN+2H"	84.067652
"1589717"	264.049328	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+K+HCOOH"	84.968628
"1416471"	294.080838	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+H+CF3COOH"	115.000138
"1148219"	152.087451	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+3ACN+2H"	125.094202
"1697646"	311.107385	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+NH4+CF3COOH"	132.026685
"1635977"	316.06278	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+Na+CF3COOH"	136.98208
"1572721"	332.03672	"C16675"	"7-Aminomethyl-7-carbaguanine;7-Aminomethyl-7-deazaguanine"	"C7H9N5O"	"179.0807"	"M+K+CF3COOH"	152.95602
"801830"	316.2038	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M"	0
"974628"	297.18541	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"63243"	209.795257333333	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"503325"	315.196524	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"880395"	104.393990666667	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"105"	315.196524	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"441819"	473.298424	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"817798"	157.094624	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"78883"	631.400324	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"519050"	947.604124	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"896619"	315.196524	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"47833"	648.426871	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"491649"	964.630671	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"864424"	332.223071	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"31522"	653.382266	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"471636"	969.586066	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"848675"	337.178466	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1618775"	337.178466	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"95668"	333.184863	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"534462"	491.286763	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"927110"	175.082963	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"270227"	667.377002	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"659994"	983.580802	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1272772"	351.173202	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"15748"	669.356206	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"455739"	985.560006	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"832845"	353.152406	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1555900"	353.152406	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"944151"	361.201994	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"363097"	677.405801	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"347339"	691.421451	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1493262"	375.217651	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"958781"	383.183951	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"110559"	351.173202	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"552921"	509.275102	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1030832"	193.071302	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1248225"	395.122685	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1308486"	397.178672	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1328169"	419.160629	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"914123"	429.189386	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1301404"	465.166064	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1374096"	281.191124	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1396332"	299.2011	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"294561"	633.414876	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"684797"	949.618676	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1357865"	317.211076	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"134034"	317.211076	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"576514"	475.312976	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1047502"	159.109176	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"217227"	211.809809333333	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"648765"	317.211076	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1176006"	106.408542666667	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"434175"	650.441423	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"795531"	966.645223	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1692593"	334.237623	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"339778"	325.7243495	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"737306"	483.8262495	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1490760"	167.6224495	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"404334"	655.396818	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"763871"	971.600618	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1613430"	339.193018	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"324926"	328.202047	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"713335"	486.303947	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1464969"	170.100147	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1059310"	113.735856666667	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1262441"	349.237286	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"378474"	671.370758	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"750045"	987.574558	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1546995"	355.166958	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"302348"	336.189017	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"696592"	494.290917	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1450413"	178.087117	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"243391"	674.441426	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1216097"	358.237626	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1203260"	179.622451	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"196132"	677.37876	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"637878"	993.58256	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1138104"	361.17496	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"175931"	339.193018	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"617682"	497.294918	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1121190"	181.091118	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1403619"	121.063170666667	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1431603"	363.216546	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"221176"	344.22604	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1512397"	377.26859	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"413178"	347.179988	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"771985"	505.281888	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1670504"	189.078088	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"261397"	696.423368	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1228638"	380.219568	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1719717"	380.243093	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1182887"	128.390484666667	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1651687"	385.198488	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"158547"	709.32664	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"600300"	1025.53044	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1085540"	393.12284	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"143084"	355.166958	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"583009"	513.268858	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1069708"	197.065058	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1100733"	395.137392	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1337116"	395.225007	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1007103"	399.264176	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1524866"	400.257808	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"990948"	200.135726	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1594930"	401.172428	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1416217"	431.203938	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1149787"	220.649001	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1699336"	448.230485	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1634257"	453.18588	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1572103"	469.15982	"C16677"	"all-trans-4-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"804295"	314.1882	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M"	0
"976006"	295.16981	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"63885"	208.451524	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"503684"	313.180924	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"883433"	103.722124	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"224"	313.180924	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"441568"	470.275024	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"819732"	156.086824	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"79727"	627.369124	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"520380"	941.557324	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"896483"	313.180924	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"48064"	644.395671	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"495039"	958.583871	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"868466"	330.207471	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"33086"	649.351066	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"472645"	963.539266	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"850448"	335.162866	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1619614"	335.162866	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"95416"	331.169263	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"534776"	488.263363	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"927644"	174.075163	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"267782"	663.345802	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"666038"	977.534002	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1274432"	349.157602	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"15736"	665.325006	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"456787"	979.513206	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"833171"	351.136806	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1556013"	351.136806	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"943651"	359.186394	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"364664"	673.374601	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"346844"	687.390251	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1493737"	373.202051	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"959094"	381.168351	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"110790"	349.157602	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"556311"	506.251702	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1025838"	192.063502	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1245783"	393.107085	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1311876"	395.163072	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1331559"	417.145029	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"917149"	427.173786	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1302607"	463.150464	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1374206"	279.175524	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1393890"	297.1855	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"296859"	629.383676	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"687459"	943.571876	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1361256"	315.195476	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"135604"	315.195476	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"579908"	472.289576	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1046883"	158.101376	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"217703"	210.466076	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"649969"	315.195476	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1177451"	105.736676	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"435743"	646.410223	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"797830"	960.598423	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1691975"	332.222023	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"344264"	323.7087495	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"733769"	480.8028495	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1491600"	166.6146495	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"401898"	651.365618	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"766168"	965.553818	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1614269"	337.177418	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"324306"	326.186447	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"713447"	483.280547	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1463985"	169.092347	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1059419"	113.06399	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1263286"	347.221686	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"385140"	667.339558	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"745051"	981.527758	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1544918"	353.151358	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"300636"	334.173417	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"693057"	491.267517	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1447607"	177.079317	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"246780"	670.410226	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1217301"	356.222026	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1201183"	178.614651	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"194055"	673.34756	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"637989"	987.53576	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1138214"	359.15936	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"177134"	337.177418	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"615603"	494.271518	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1118014"	180.083318	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1400448"	120.391304	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1432561"	361.200946	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"222258"	342.21044	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1509469"	375.25299	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"412194"	345.164388	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"773187"	502.258488	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1667334"	188.070288	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"258227"	692.392168	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1228748"	378.203968	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1714361"	378.227493	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1184092"	127.718618	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1655078"	383.182888	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"160845"	705.29544	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"602597"	1019.48364	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1089296"	391.10724	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"145019"	353.151358	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"584579"	510.245458	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1070184"	196.057258	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1103392"	393.121792	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1336864"	393.209407	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1007217"	397.248576	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1527531"	398.242208	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"993978"	199.127926	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1595040"	399.156828	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1417421"	429.188338	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1148803"	219.641201	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1697746"	446.214885	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1634283"	451.17028	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1571849"	467.14422	"C16678"	"all-trans-4-Oxoretinoic acid"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"806594"	316.2038	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M"	0
"979034"	297.18541	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"65089"	209.795257333333	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"504647"	315.196524	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"882449"	104.393990666667	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"3214"	315.196524	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"442772"	473.298424	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"820571"	157.094624	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"80569"	631.400324	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"520370"	947.604124	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"896470"	315.196524	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"47565"	648.426871	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"494056"	964.630671	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"865415"	332.223071	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"39758"	653.382266	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"474943"	969.586066	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"849707"	337.178466	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1619118"	337.178466	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"95768"	333.184863	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"536548"	491.286763	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"928968"	175.082963	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"271537"	667.377002	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"664325"	983.580802	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1274542"	351.173202	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"19650"	669.356206	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"458481"	985.560006	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"833364"	353.152406	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1556491"	353.152406	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"945831"	361.201994	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"362951"	677.405801	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"354861"	691.421451	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1494578"	375.217651	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"959203"	383.183951	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"115403"	351.173202	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"556421"	509.275102	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1025584"	193.071302	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1248448"	395.122685	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1310894"	397.178672	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1331669"	419.160629	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"917259"	429.189386	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1300531"	465.166064	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1379056"	281.191124	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1396189"	299.2011	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"296969"	633.414876	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"688298"	949.618676	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1365014"	317.211076	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"137171"	317.211076	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"578922"	475.312976	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1046993"	159.109176	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"214895"	211.809809333333	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"655547"	317.211076	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1174766"	106.408542666667	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"436946"	650.441423	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"797577"	966.645223	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1692085"	334.237623	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"341455"	325.7243495	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"736062"	483.8262495	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1486603"	167.6224495	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"404190"	655.396818	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"768711"	971.600618	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1614379"	339.193018	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"323323"	328.202047	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"714651"	486.303947	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1464459"	170.100147	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1060623"	113.735856666667	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1259020"	349.237286	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"381968"	671.370758	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"747347"	987.574558	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1542839"	355.166958	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"305486"	336.189017	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"699001"	494.290917	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1456103"	178.087117	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"239237"	674.441426	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1216318"	358.237626	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1199107"	179.622451	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"197445"	677.37876	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"637006"	993.58256	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1137230"	361.17496	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"177246"	339.193018	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"617901"	497.294918	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1122504"	181.091118	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1401653"	121.063170666667	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1431581"	363.216546	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"223459"	344.22604	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1510432"	377.26859	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"409994"	347.179988	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"773300"	505.281888	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1671819"	189.078088	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"257242"	696.423368	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1231044"	380.219568	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1714471"	380.243093	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1183107"	128.390484666667	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1653000"	385.198488	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"160955"	709.32664	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"604896"	1025.53044	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1087220"	393.12284	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"143670"	355.166958	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"582503"	513.268858	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1069562"	197.065058	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1101315"	395.137392	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1336974"	395.225007	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1008542"	399.264176	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1526548"	400.257808	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"992994"	200.135726	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1591871"	401.172428	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1414369"	431.203938	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1147820"	220.649001	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1697032"	448.230485	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1634185"	453.18588	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1572323"	469.15982	"C16679"	"all-trans-18-Hydroxyretinoic acid"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"809983"	316.2038	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M"	0
"979144"	297.18541	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"65199"	209.795257333333	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"504755"	315.196524	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"881099"	104.393990666667	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"3324"	315.196524	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"446161"	473.298424	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"820681"	157.094624	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"81772"	631.400324	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"524611"	947.604124	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"898040"	315.196524	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"49135"	648.426871	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"494166"	964.630671	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"866498"	332.223071	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"40961"	653.382266	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"476148"	969.586066	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"850911"	337.178466	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1621299"	337.178466	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"96731"	333.184863	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"537387"	491.286763	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"929807"	175.082963	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"271647"	667.377002	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"664071"	983.580802	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1274524"	351.173202	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"21219"	669.356206	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"457130"	985.560006	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"834208"	353.152406	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1561341"	353.152406	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"948130"	361.201994	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"367077"	677.405801	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"352055"	691.421451	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1495052"	375.217651	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"962962"	383.183951	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"115149"	351.173202	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"555803"	509.275102	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1025694"	193.071302	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1247465"	395.122685	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1312097"	397.178672	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1331779"	419.160629	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"918462"	429.189386	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1302463"	465.166064	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1380259"	281.191124	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1395935"	299.2011	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"298176"	633.414876	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"687680"	949.618676	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1365489"	317.211076	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"138010"	317.211076	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"580734"	475.312976	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1047103"	159.109176	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"217921"	211.809809333333	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"655657"	317.211076	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1174876"	106.408542666667	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"438149"	650.441423	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"795864"	966.645223	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1692195"	334.237623	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"343388"	325.7243495	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"735079"	483.8262495	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1486713"	167.6224495	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"403207"	655.396818	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"767120"	971.600618	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1613396"	339.193018	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"324526"	328.202047	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"714761"	486.303947	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1465298"	170.100147	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1062920"	113.735856666667	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1262412"	349.237286	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"382078"	671.370758	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"743078"	987.574558	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1544401"	355.166958	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"302314"	336.189017	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"702392"	494.290917	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1454026"	178.087117	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"242626"	674.441426	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1217522"	358.237626	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1201405"	179.622451	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"197556"	677.37876	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"636022"	993.58256	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1138433"	361.17496	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"179542"	339.193018	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"620197"	497.294918	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1123707"	181.091118	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1406138"	121.063170666667	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1437158"	363.216546	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"225761"	344.22604	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1511634"	377.26859	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"414601"	347.179988	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"774504"	505.281888	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1675210"	189.078088	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"259542"	696.423368	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1232247"	380.219568	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1717863"	380.243093	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1184313"	128.390484666667	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1650438"	385.198488	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"161064"	709.32664	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"607193"	1025.53044	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1092798"	393.12284	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"144873"	355.166958	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"584802"	513.268858	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1070406"	197.065058	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1101792"	395.137392	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1338908"	395.225007	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1007559"	399.264176	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1525685"	400.257808	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"993105"	200.135726	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1590888"	401.172428	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1416548"	431.203938	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1149023"	220.649001	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1697483"	448.230485	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1634189"	453.18588	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1572069"	469.15982	"C16680"	"all-trans-56-Epoxyretinoic acid;all-trans-56-Epoxy-56-dihydroretinoic acid"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"810093"	284.214	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M"	0
"979254"	265.19561	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-H2O-H"	-19.01839
"66403"	188.468724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M-3H"	-3.021828
"506687"	283.206724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M-3H"	-3.021828
"882308"	93.730724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-3H"	-3.021828
"4889"	283.206724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M-2H"	-2.014552
"447363"	425.313724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M-2H"	-2.014552
"825168"	141.099724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-2H"	-2.014552
"84066"	567.420724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M-H"	-1.007276
"524719"	851.634724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M-H"	-1.007276
"900339"	283.206724	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-H"	-1.007276
"57996"	584.447271	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M-2H+NH4"	16.019271
"490995"	868.661271	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M-2H+NH4"	16.019271
"869890"	300.233271	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-2H+NH4"	16.019271
"36700"	589.402666	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M-2H+Na"	20.974666
"472489"	873.616666	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M-2H+Na"	20.974666
"849805"	305.188666	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-2H+Na"	20.974666
"1621409"	305.188666	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Na-2H"	20.974666
"94778"	301.195063	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M-H+Cl"	33.962126
"535672"	443.302063	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M-H+Cl"	33.962126
"928823"	159.088063	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-H+Cl"	33.962126
"268110"	603.397402	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+Cl"	34.969402
"667460"	887.611402	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+Cl"	34.969402
"1275489"	319.183402	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Cl"	34.969402
"21693"	605.376606	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M-2H+K"	36.948606
"460886"	889.590606	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M-2H+K"	36.948606
"837963"	321.162606	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-2H+K"	36.948606
"1561087"	321.162606	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+K-2H"	36.948606
"945325"	329.212194	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-H+HCOOH"	44.998194
"364634"	613.426201	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+HCOOH-H"	44.998201
"349613"	627.441851	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+Hac-H"	59.013851
"1496988"	343.227851	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Hac-H"	59.013851
"963073"	351.194151	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-H+NaCOOH"	66.980151
"119635"	319.183402	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+2Cl"	69.938804
"555914"	461.290402	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+2Cl"	69.938804
"1029088"	177.076402	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2Cl"	69.938804
"1246113"	363.132885	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Br"	78.918885
"1313299"	365.188872	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Cl+HCOOH"	80.974872
"1328609"	387.170829	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Cl+NaCOOH"	102.956829
"918571"	397.199586	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M-H+CF3COOH"	112.985586
"1295280"	433.176264	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Cl+CF3COOH"	148.962264
"1373443"	249.201324	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H-2H2O"	-35.012676
"1392032"	267.2113	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H-H2O"	-17.0027
"295002"	569.435276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+H"	1.007276
"688153"	853.649276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+H"	1.007276
"1358305"	285.221276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H"	1.007276
"136298"	285.221276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+2H"	2.014552
"580723"	427.328276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+2H"	2.014552
"1047213"	143.114276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2H"	2.014552
"217303"	190.483276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+3H"	3.021828
"655767"	285.221276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+3H"	3.021828
"1174986"	95.745276	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+3H"	3.021828
"436073"	586.461823	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+NH4"	18.033823
"794881"	870.675823	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+NH4"	18.033823
"1693398"	302.247823	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+NH4"	18.033823
"343498"	293.7345495	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+H+NH4"	19.041099
"735189"	435.8415495	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+H+NH4"	19.041099
"1485730"	151.6275495	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H+NH4"	19.041099
"402225"	591.417218	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+Na"	22.989218
"766501"	875.631218	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+Na"	22.989218
"1612413"	307.203218	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Na"	22.989218
"323543"	296.212247	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+H+Na"	23.996494
"713778"	438.319247	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+H+Na"	23.996494
"1466501"	154.105247	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H+Na"	23.996494
"1059750"	103.07259	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2H+Na"	25.00377
"1259243"	317.247486	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+CH3OH+H"	33.033486
"380001"	607.391158	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+K"	38.963158
"741002"	891.605158	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+K"	38.963158
"1544147"	323.177158	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+K"	38.963158
"305706"	304.199217	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+H+K"	39.970434
"704690"	446.306217	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+H+K"	39.970434
"1457416"	162.092217	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H+K"	39.970434
"247112"	610.461826	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+ACN+H"	42.033826
"1222007"	326.247826	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+ACN+H"	42.033826
"1202609"	163.627551	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+ACN+2H"	43.041102
"199853"	613.39916	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+2Na-H"	44.97116
"635039"	897.61316	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+2Na-H"	44.97116
"1137450"	329.18516	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2Na-H"	44.97116
"179652"	307.203218	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+2Na"	45.978436
"622494"	449.310218	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+2Na"	45.978436
"1122724"	165.096218	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2Na"	45.978436
"1408435"	110.399904	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H+2Na"	46.985712
"1438360"	331.226746	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H+HCOOH"	47.012746
"224045"	312.23624	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+3H2O+2H"	56.04448
"1513930"	345.27879	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+IsoProp+H"	61.06479
"413619"	315.190188	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+Na+K"	61.952376
"777892"	457.297188	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+Na+K"	61.952376
"1669853"	173.083188	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Na+K"	61.952376
"257826"	632.443768	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+ACN+Na"	64.015768
"1231261"	348.229768	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+ACN+Na"	64.015768
"1717973"	348.253293	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+NH4+HCOOH"	64.039293
"1184421"	117.727218	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+3Na"	68.967654
"1650425"	353.208688	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Na+HCOOH"	68.994688
"159352"	645.34704	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+2K-H"	76.91904
"611436"	929.56104	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+2K-H"	76.91904
"1096188"	361.13304	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2K-H"	76.91904
"145712"	323.177158	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"2M+2K"	77.926316
"587099"	465.284158	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"3M+2K"	77.926316
"1073798"	181.070158	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2K"	77.926316
"1105914"	363.147592	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2K+H"	78.933592
"1342298"	363.235207	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+DMSO+H"	79.021207
"1011922"	367.274376	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2ACN+H"	83.060376
"1530049"	368.268008	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+IsoProp+Na+H"	84.054008
"993214"	184.140826	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+2ACN+2H"	84.067652
"1590998"	369.182628	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+K+HCOOH"	84.968628
"1415930"	399.214138	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+H+CF3COOH"	115.000138
"1147432"	204.654101	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+3ACN+2H"	125.094202
"1699049"	416.240685	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+NH4+CF3COOH"	132.026685
"1636525"	421.19608	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+Na+CF3COOH"	136.98208
"1573272"	437.17002	"C16681"	"9-cis-Retinal"	"C20H28O"	"284.214"	"M+K+CF3COOH"	152.95602
"810203"	286.2297	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M"	0
"976083"	267.21131	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"67606"	189.812524	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"504610"	285.222424	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"882051"	94.402624	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"4635"	285.222424	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"444193"	428.337274	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"823091"	142.107574	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"84540"	571.452124	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"525922"	857.681824	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"900444"	285.222424	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"55919"	588.478671	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"491104"	874.708371	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"866720"	302.248971	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"36810"	593.434066	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"473087"	879.663766	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"850888"	307.204366	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1620426"	307.204366	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"95492"	303.210763	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"535781"	446.325613	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"929297"	160.095913	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"267733"	607.428802	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"660639"	893.658502	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1273776"	321.199102	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"17791"	609.408006	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"459538"	895.637706	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"835153"	323.178306	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1561192"	323.178306	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"945795"	331.227894	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"366201"	617.457601	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"348995"	631.473251	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1496734"	345.243551	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"963183"	353.209851	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"120838"	321.199102	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"556024"	464.313952	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1031384"	178.084252	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1246952"	365.148585	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1312316"	367.204572	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1324344"	389.186529	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"915401"	399.215286	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1293203"	435.191964	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1371367"	251.217024	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1387769"	269.227	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"292559"	573.466676	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"684984"	859.696376	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1358415"	287.236976	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H"	1.007276
"136409"	287.236976	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"580103"	430.351826	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1051335"	144.122126	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"217778"	191.827076	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"655877"	287.236976	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1176560"	96.417176	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"438862"	590.493223	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"799002"	876.722923	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1692414"	304.263523	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"342880"	295.7502495	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"732019"	438.8650995	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1486935"	152.6353995	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"403431"	595.448618	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"763331"	881.678318	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1610337"	309.218918	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"323287"	298.227947	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"718262"	441.342797	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1466611"	155.113097	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1059860"	103.74449	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1257204"	319.263186	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"381204"	611.422558	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"741112"	897.652258	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1543164"	325.192858	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+K"	38.963158
"303627"	306.214917	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"700425"	449.329767	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1453151"	163.100067	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"246128"	614.493226	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1218835"	328.263526	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1203812"	164.635401	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"199963"	617.43056	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"635148"	903.66026	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1135375"	331.20086	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"179762"	309.218918	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"624426"	452.333768	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1129392"	166.104068	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1409638"	111.071804	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1440656"	333.242446	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"224884"	314.25194	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1514040"	347.29449	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"417009"	317.205888	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"776908"	460.320738	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1673242"	174.091038	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"259758"	636.475168	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1229185"	350.245468	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1719176"	350.268993	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1183438"	118.399118	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1653331"	355.224388	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"159098"	649.37844	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"610329"	935.60814	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1093018"	363.14874	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"146551"	325.192858	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"590489"	468.307708	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1073908"	182.078008	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1103471"	365.163292	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1339855"	365.250907	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1010937"	369.290076	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1530159"	370.283708	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"993324"	185.148676	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1592201"	371.198328	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1415675"	401.229838	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1148152"	205.661951	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1699888"	418.256385	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1637728"	423.21178	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1573382"	439.18572	"C16682"	"9-cis-Retinol"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"810313"	300.2089	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M"	0
"975100"	281.19051	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"64436"	199.131990666667	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"505085"	299.201624	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"881068"	99.0623573333333	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"1463"	299.201624	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"444303"	449.306074	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"819557"	149.097174	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"82097"	599.410524	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"520564"	899.619424	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"898368"	299.201624	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"47759"	616.437071	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"489021"	916.645971	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"864676"	316.228171	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"31656"	621.392466	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"471471"	921.601366	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"848971"	321.183566	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1621629"	321.183566	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"95238"	317.189963	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"534839"	467.294413	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"927411"	167.085513	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"267435"	635.387202	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"660217"	935.596102	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1273357"	335.178302	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"17292"	637.366406	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"459648"	937.575306	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"834534"	337.157506	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1559116"	337.157506	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"945177"	345.207094	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"365948"	645.416001	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"347278"	659.431651	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1496844"	359.222751	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"963293"	367.189051	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"113292"	335.178302	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"556134"	485.282752	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1031130"	185.073852	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1252896"	379.127785	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1312428"	381.183772	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1328830"	403.165729	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"920982"	413.194486	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1298784"	449.171164	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1371477"	265.196224	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1396508"	283.2062	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"291942"	601.425076	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"688375"	901.633976	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1364724"	301.216176	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"136884"	301.216176	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"580089"	451.320626	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1049988"	151.111726	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"214244"	201.146542666667	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"655991"	301.216176	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1168649"	101.076909333333	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"431923"	618.451623	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"796197"	918.660523	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1690336"	318.242723	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"342625"	309.7294495	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"732131"	459.8338995	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1482672"	159.6249995	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"399166"	623.407018	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"761254"	923.615918	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1612634"	323.198118	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"320482"	312.207147	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"713998"	462.311597	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1470006"	162.102697	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1056691"	108.404223333333	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1258370"	333.242386	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"379859"	639.380958	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"742315"	939.589858	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1546554"	339.172058	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"302644"	320.194117	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"700535"	470.298567	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1449979"	170.089667	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"241865"	642.451626	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1216758"	342.242726	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1203923"	171.625001	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"196793"	645.38896	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"637444"	945.59786	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1139856"	345.18006	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"179872"	323.198118	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"623443"	473.302568	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1129138"	173.093668	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1409746"	115.731537333333	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1440402"	347.221646	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"224994"	328.23114	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1511232"	361.27369	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"412742"	331.185088	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"771551"	481.289538	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1667882"	181.080638	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"260962"	664.433568	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1234764"	364.224668	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1716729"	364.248193	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1181353"	123.058851333333	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1650523"	369.203588	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"158471"	677.33684	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"598766"	977.54574	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1088750"	377.12794	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"147752"	339.172058	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"585130"	489.276508	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1072924"	189.067608	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1102244"	379.142492	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1337777"	379.230107	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1007401"	383.269276	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1528082"	384.262908	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"990638"	192.138276	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1590124"	385.177528	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1414809"	415.209038	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1149352"	212.651551	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1699269"	432.235585	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1635652"	437.19098	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1573492"	453.16492	"C16683"	"4-Oxoretinol"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"804593"	422.0825	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M"	0
"976302"	403.06411	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"67828"	280.381057333333	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"506294"	421.075224	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"885189"	139.686890666667	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"2673"	421.075224	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"442592"	632.116474	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"821128"	210.033974	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"85493"	843.157724	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"523958"	1265.240224	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"900667"	421.075224	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"51764"	860.184271	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"489255"	1282.266771	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"866940"	438.101771	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"37028"	865.139666	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"477687"	1287.222166	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"852208"	443.057166	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1619061"	443.057166	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"97173"	439.063563	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"537828"	650.104813	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"927814"	228.022313	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"274640"	879.134402	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"660293"	1301.216902	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1276183"	457.051902	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"22386"	881.113606	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"463769"	1303.196106	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"833426"	459.031106	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1557767"	459.031106	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"943259"	467.080694	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"364597"	889.163201	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"348845"	903.178851	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1496950"	481.096351	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"968508"	489.062651	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"120331"	457.051902	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"560986"	668.093152	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1030512"	246.010652	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1253009"	501.001385	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1314726"	503.057372	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1328944"	525.039329	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"921092"	535.068086	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1297802"	571.044764	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1378148"	387.069824	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1391273"	405.0798	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"295333"	845.172276	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"688485"	1267.254776	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1366293"	423.089776	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"139182"	423.089776	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"575463"	634.131026	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1049733"	212.048526	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"216541"	282.395609333333	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"656101"	423.089776	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1168754"	141.701442666667	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"435309"	862.198823	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"794119"	1284.281323	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1689355"	440.116323	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"336542"	431.6030495	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"731149"	642.6442995	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1486064"	220.5617995	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"401462"	867.154218	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"760269"	1289.236718	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1607276"	445.071718	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"318405"	434.080747	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"709246"	645.121997	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1463555"	223.039497	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1056074"	149.028756666667	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1257342"	455.115986	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"380335"	883.128158	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"741333"	1305.210658	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1541928"	461.045658	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"302755"	442.067717	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"692992"	653.108967	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1450092"	231.026467	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"240882"	886.198826	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1215775"	464.116326	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1199659"	232.561801	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"190340"	889.13616	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"636473"	1311.21866	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1142896"	467.05366	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"183268"	445.071718	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"624648"	656.112968	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1127792"	234.030468	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1405482"	156.356070666667	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1435778"	469.095246	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"229479"	450.10474	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1516447"	483.14729	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"410665"	453.058688	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"774941"	664.099938	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1671272"	242.017438	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"256697"	908.180768	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1229774"	486.098268	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1715017"	486.121793	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1182564"	163.683384666667	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1652456"	491.077188	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"161506"	921.08404	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"599972"	1343.16654	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1089954"	499.00154	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"143489"	461.045658	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"590708"	672.086908	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1077407"	250.004408	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1107335"	501.016092	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1340441"	501.103707	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1012251"	505.142876	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1532564"	506.136508	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"997919"	253.075076	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1591327"	507.051128	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1419176"	537.082638	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1150558"	273.588351	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1701201"	554.109185	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1635765"	559.06458	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1573603"	575.03852	"C16688"	"Sucrose 6-phosphate;6-Phosphosucrose;6-O-Phosphonosucrose;beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"803975"	310.1376	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M"	0
"976412"	291.11921	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-H2O-H"	-19.01839
"65750"	205.751124	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M-3H"	-3.021828
"506404"	309.130324	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M-3H"	-3.021828
"882020"	102.371924	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-3H"	-3.021828
"3874"	309.130324	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M-2H"	-2.014552
"441610"	464.199124	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M-2H"	-2.014552
"821238"	154.061524	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-2H"	-2.014552
"85607"	619.267924	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M-H"	-1.007276
"519332"	929.405524	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M-H"	-1.007276
"901878"	309.130324	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-H"	-1.007276
"50785"	636.294471	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M-2H+NH4"	16.019271
"500554"	946.432071	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M-2H+NH4"	16.019271
"878235"	326.156871	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-2H+NH4"	16.019271
"46016"	641.249866	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M-2H+Na"	20.974666
"484359"	951.387466	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M-2H+Na"	20.974666
"850132"	331.112266	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-2H+Na"	20.974666
"1623312"	331.112266	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Na-2H"	20.974666
"97653"	327.118663	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M-H+Cl"	33.962126
"537577"	482.187463	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M-H+Cl"	33.962126
"936930"	172.049863	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-H+Cl"	33.962126
"274393"	655.244602	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+Cl"	34.969402
"666082"	965.382202	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+Cl"	34.969402
"1274474"	345.107002	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Cl"	34.969402
"21772"	657.223806	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M-2H+K"	36.948606
"460243"	967.361406	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M-2H+K"	36.948606
"840233"	347.086206	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-2H+K"	36.948606
"1560440"	347.086206	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+K-2H"	36.948606
"947229"	355.135794	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-H+HCOOH"	44.998194
"369822"	665.273401	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+HCOOH-H"	44.998201
"358079"	679.289051	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+Hac-H"	59.013851
"1500349"	369.151451	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Hac-H"	59.013851
"963516"	377.117751	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-H+NaCOOH"	66.980151
"119713"	345.107002	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+2Cl"	69.938804
"556358"	500.175802	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+2Cl"	69.938804
"1028435"	190.038202	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2Cl"	69.938804
"1249104"	389.056485	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Br"	78.918885
"1309001"	391.112472	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Cl+HCOOH"	80.974872
"1323947"	413.094429	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Cl+NaCOOH"	102.956829
"915004"	423.123186	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M-H+CF3COOH"	112.985586
"1293535"	459.099864	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Cl+CF3COOH"	148.962264
"1373884"	275.124924	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H-2H2O"	-35.012676
"1385187"	293.1349	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H-H2O"	-17.0027
"284143"	621.282476	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+H"	1.007276
"684590"	931.420076	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+H"	1.007276
"1355470"	311.144876	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H"	1.007276
"134920"	311.144876	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+2H"	2.014552
"576667"	466.213676	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+2H"	2.014552
"1043284"	156.076076	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2H"	2.014552
"208996"	207.765676	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+3H"	3.021828
"648921"	311.144876	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+3H"	3.021828
"1167045"	104.386476	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+3H"	3.021828
"428859"	638.309023	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+NH4"	18.033823
"793135"	948.446623	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+NH4"	18.033823
"1687277"	328.171423	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+NH4"	18.033823
"335555"	319.6581495	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+H+NH4"	19.041099
"729068"	474.7269495	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+H+NH4"	19.041099
"1479609"	164.5893495	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H+NH4"	19.041099
"395009"	643.264418	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+Na"	22.989218
"756003"	953.402018	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+Na"	22.989218
"1603253"	333.126818	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Na"	22.989218
"321072"	322.135847	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+H+Na"	23.996494
"709848"	477.204647	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+H+Na"	23.996494
"1462323"	167.067047	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H+Na"	23.996494
"1060201"	111.71379	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2H+Na"	25.00377
"1265164"	343.171086	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+CH3OH+H"	33.033486
"385926"	659.238358	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+K"	38.963158
"744734"	969.375958	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+K"	38.963158
"1546786"	349.100758	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+K"	38.963158
"300678"	330.122817	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+H+K"	39.970434
"693101"	485.191617	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+H+K"	39.970434
"1448016"	175.054017	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H+K"	39.970434
"245375"	662.309026	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+ACN+H"	42.033826
"1221364"	352.171426	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+ACN+H"	42.033826
"1200872"	176.589351	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+ACN+2H"	43.041102
"199211"	665.24636	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+2Na-H"	44.97116
"639866"	975.38396	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+2Na-H"	44.97116
"1137905"	355.10876	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2Na-H"	44.97116
"178278"	333.126818	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+2Na"	45.978436
"622571"	488.195618	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+2Na"	45.978436
"1126441"	178.058018	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2Na"	45.978436
"1408871"	119.041104	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H+2Na"	46.985712
"1438801"	357.150346	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H+HCOOH"	47.012746
"226308"	338.15984	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+3H2O+2H"	56.04448
"1514370"	371.20239	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+IsoProp+H"	61.06479
"412962"	341.113788	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+Na+K"	61.952376
"772867"	496.182588	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+Na+K"	61.952376
"1670296"	186.044988	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Na+K"	61.952376
"255722"	684.290968	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+ACN+Na"	64.015768
"1231715"	374.153368	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+ACN+Na"	64.015768
"1715497"	374.176893	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+NH4+HCOOH"	64.039293
"1179758"	126.368418	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+3Na"	68.967654
"1650866"	379.132288	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Na+HCOOH"	68.994688
"159430"	697.19424	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+2K-H"	76.91904
"605552"	1007.33184	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+2K-H"	76.91904
"1096266"	387.05664	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2K-H"	76.91904
"149071"	349.100758	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"2M+2K"	77.926316
"587536"	504.169558	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"3M+2K"	77.926316
"1073148"	194.031958	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2K"	77.926316
"1104169"	389.071192	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2K+H"	78.933592
"1338368"	389.158807	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+DMSO+H"	79.021207
"1011268"	393.197976	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2ACN+H"	83.060376
"1527207"	394.191608	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+IsoProp+Na+H"	84.054008
"995843"	197.102626	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+2ACN+2H"	84.067652
"1592535"	395.106228	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+K+HCOOH"	84.968628
"1418194"	425.137738	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+H+CF3COOH"	115.000138
"1147756"	217.615901	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+3ACN+2H"	125.094202
"1707881"	442.164285	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+NH4+CF3COOH"	132.026685
"1640253"	447.11968	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+Na+CF3COOH"	136.98208
"1580278"	463.09362	"C16692"	"Mannopine"	"C11H22N2O8"	"310.1376"	"M+K+CF3COOH"	152.95602
"810648"	204.115	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M"	0
"978712"	185.09661	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-H2O-H"	-19.01839
"66221"	135.069390666667	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M-3H"	-3.021828
"505781"	203.107724	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M-3H"	-3.021828
"881037"	67.0310573333333	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-3H"	-3.021828
"3258"	203.107724	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M-2H"	-2.014552
"440871"	305.165224	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M-2H"	-2.014552
"821350"	101.050224	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-2H"	-2.014552
"84622"	407.222724	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M-H"	-1.007276
"527466"	611.337724	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M-H"	-1.007276
"905268"	203.107724	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-H"	-1.007276
"61848"	424.249271	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M-2H+NH4"	16.019271
"502371"	628.364271	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M-2H+NH4"	16.019271
"879695"	220.134271	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-2H+NH4"	16.019271
"46369"	429.204666	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M-2H+Na"	20.974666
"486416"	633.319666	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M-2H+Na"	20.974666
"858994"	225.089666	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-2H+Na"	20.974666
"1626340"	225.089666	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Na-2H"	20.974666
"102870"	221.096063	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M-H+Cl"	33.962126
"548264"	323.153563	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M-H+Cl"	33.962126
"941658"	119.038563	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-H+Cl"	33.962126
"275596"	443.199402	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+Cl"	34.969402
"666925"	647.314402	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+Cl"	34.969402
"1286985"	239.084402	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Cl"	34.969402
"30881"	445.178606	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M-2H+K"	36.948606
"468010"	649.293606	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M-2H+K"	36.948606
"843624"	241.063606	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-2H+K"	36.948606
"1570396"	241.063606	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+K-2H"	36.948606
"956822"	249.113194	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-H+HCOOH"	44.998194
"375402"	453.228201	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+HCOOH-H"	44.998201
"358190"	467.243851	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+Hac-H"	59.013851
"1503741"	263.128851	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Hac-H"	59.013851
"970188"	271.095151	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-H+NaCOOH"	66.980151
"120190"	239.084402	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+2Cl"	69.938804
"555374"	341.141902	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+2Cl"	69.938804
"1028546"	137.026902	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2Cl"	69.938804
"1244845"	283.033885	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Br"	78.918885
"1308388"	285.089872	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Cl+HCOOH"	80.974872
"1324788"	307.071829	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Cl+NaCOOH"	102.956829
"919124"	317.100586	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M-H+CF3COOH"	112.985586
"1293646"	353.077264	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Cl+CF3COOH"	148.962264
"1374001"	169.102324	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H-2H2O"	-35.012676
"1383843"	187.1123	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H-H2O"	-17.0027
"297384"	409.237276	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+H"	1.007276
"686887"	613.352276	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+H"	1.007276
"1362142"	205.122276	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H"	1.007276
"135030"	205.122276	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+2H"	2.014552
"577507"	307.179776	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+2H"	2.014552
"1045575"	103.064776	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2H"	2.014552
"210199"	137.083942666667	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+3H"	3.021828
"647937"	205.122276	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+3H"	3.021828
"1167885"	69.0456093333333	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+3H"	3.021828
"428970"	426.263823	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+NH4"	18.033823
"792150"	630.378823	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+NH4"	18.033823
"1684108"	222.148823	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+NH4"	18.033823
"333479"	213.6355495	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+H+NH4"	19.041099
"723101"	315.6930495	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+H+NH4"	19.041099
"1478625"	111.5780495	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H+NH4"	19.041099
"392830"	431.219218	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+Na"	22.989218
"762684"	635.334218	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+Na"	22.989218
"1614066"	227.104218	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Na"	22.989218
"324102"	216.113247	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+H+Na"	23.996494
"714333"	318.170747	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+H+Na"	23.996494
"1471447"	114.055747	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H+Na"	23.996494
"1062503"	76.3729233333333	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2H+Na"	25.00377
"1263086"	237.148486	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+CH3OH+H"	33.033486
"382756"	447.193158	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+K"	38.963158
"744844"	651.308158	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+K"	38.963158
"1543614"	243.078158	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+K"	38.963158
"300794"	224.100217	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+H+K"	39.970434
"695402"	326.157717	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+H+K"	39.970434
"1460171"	122.042717	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H+K"	39.970434
"245486"	450.263826	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+ACN+H"	42.033826
"1221474"	246.148826	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+ACN+H"	42.033826
"1209130"	123.578051	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+ACN+2H"	43.041102
"201875"	453.20116	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+2Na-H"	44.97116
"642164"	657.31616	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+2Na-H"	44.97116
"1145306"	249.08616	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2Na-H"	44.97116
"181304"	227.104218	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+2Na"	45.978436
"624145"	329.161718	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+2Na"	45.978436
"1128381"	125.046718	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2Na"	45.978436
"1408986"	83.7002373333333	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H+2Na"	46.985712
"1440007"	251.127746	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H+HCOOH"	47.012746
"231888"	232.13724	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+3H2O+2H"	56.04448
"1515577"	265.17979	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+IsoProp+H"	61.06479
"413079"	235.091188	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+Na+K"	61.952376
"777359"	337.148688	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+Na+K"	61.952376
"1670408"	133.033688	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Na+K"	61.952376
"255833"	472.245768	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+ACN+Na"	64.015768
"1229637"	268.130768	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+ACN+Na"	64.015768
"1715607"	268.154293	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+NH4+HCOOH"	64.039293
"1181690"	91.0275513333333	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+3Na"	68.967654
"1655959"	273.109688	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Na+HCOOH"	68.994688
"163914"	485.14904	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+2K-H"	76.91904
"604573"	689.26404	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+2K-H"	76.91904
"1096013"	281.03404	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2K-H"	76.91904
"148091"	243.078158	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"2M+2K"	77.926316
"589841"	345.135658	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"3M+2K"	77.926316
"1072165"	141.020658	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2K"	77.926316
"1107560"	283.048592	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2K+H"	78.933592
"1339575"	283.136207	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+DMSO+H"	79.021207
"1013567"	287.175376	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2ACN+H"	83.060376
"1529508"	288.169008	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+IsoProp+Na+H"	84.054008
"997048"	144.091326	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+2ACN+2H"	84.067652
"1590461"	289.083628	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+K+HCOOH"	84.968628
"1417577"	319.115138	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+H+CF3COOH"	115.000138
"1160268"	164.604601	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+3ACN+2H"	125.094202
"1710182"	336.141685	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+NH4+CF3COOH"	132.026685
"1649722"	341.09708	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+Na+CF3COOH"	136.98208
"1580391"	357.07102	"C16694"	"Plastoquinone-1"	"C13H16O2"	"204.115"	"M+K+CF3COOH"	152.95602
"807478"	750.6315	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M"	0
"978822"	731.61311	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-H2O-H"	-19.01839
"63065"	499.413724	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M-3H"	-3.021828
"503096"	749.624224	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M-3H"	-3.021828
"880418"	249.203224	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-3H"	-3.021828
"3004"	749.624224	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M-2H"	-2.014552
"441470"	1124.939974	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M-2H"	-2.014552
"821460"	374.308474	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-2H"	-2.014552
"86920"	1500.255724	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M-H"	-1.007276
"522107"	2250.887224	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M-H"	-1.007276
"905378"	749.624224	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-H"	-1.007276
"62639"	1517.282271	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M-2H+NH4"	16.019271
"501018"	2267.913771	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M-2H+NH4"	16.019271
"879858"	766.650771	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-2H+NH4"	16.019271
"47122"	1522.237666	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M-2H+Na"	20.974666
"478020"	2272.869166	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M-2H+Na"	20.974666
"859104"	771.606166	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-2H+Na"	20.974666
"1626450"	771.606166	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Na-2H"	20.974666
"99699"	767.612563	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M-H+Cl"	33.962126
"543634"	1142.928313	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M-H+Cl"	33.962126
"942132"	392.296813	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-H+Cl"	33.962126
"275706"	1536.232402	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+Cl"	34.969402
"669221"	2286.863902	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+Cl"	34.969402
"1284908"	785.600902	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Cl"	34.969402
"29653"	1538.211606	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M-2H+K"	36.948606
"468120"	2288.843106	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M-2H+K"	36.948606
"843734"	787.580106	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-2H+K"	36.948606
"1570506"	787.580106	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+K-2H"	36.948606
"956203"	795.629694	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-H+HCOOH"	44.998194
"375512"	1546.261201	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+HCOOH-H"	44.998201
"357207"	1560.276851	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+Hac-H"	59.013851
"1503851"	809.645351	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Hac-H"	59.013851
"970298"	817.611651	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-H+NaCOOH"	66.980151
"121393"	785.600902	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+2Cl"	69.938804
"555484"	1160.916652	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+2Cl"	69.938804
"1032666"	410.285152	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2Cl"	69.938804
"1244956"	829.550385	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Br"	78.918885
"1312871"	831.606372	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Cl+HCOOH"	80.974872
"1329273"	853.588329	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Cl+NaCOOH"	102.956829
"918142"	863.617086	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M-H+CF3COOH"	112.985586
"1294850"	899.593764	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Cl+CF3COOH"	148.962264
"1374111"	715.618824	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H-2H2O"	-35.012676
"1386140"	733.6288	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H-H2O"	-17.0027
"297494"	1502.270276	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+H"	1.007276
"688090"	2252.901776	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+H"	1.007276
"1363347"	751.638776	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H"	1.007276
"135140"	751.638776	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+2H"	2.014552
"576887"	1126.954526	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+2H"	2.014552
"1046778"	376.323026	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2H"	2.014552
"212496"	501.428276	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+3H"	3.021828
"648776"	751.638776	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+3H"	3.021828
"1167994"	251.217776	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+3H"	3.021828
"434546"	1519.296823	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+NH4"	18.033823
"791167"	2269.928323	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+NH4"	18.033823
"1684218"	768.665323	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+NH4"	18.033823
"333590"	760.1520495	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+H+NH4"	19.041099
"722929"	1135.4677995	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+H+NH4"	19.041099
"1477313"	384.8362995	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H+NH4"	19.041099
"393201"	1524.252218	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+Na"	22.989218
"761700"	2274.883718	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+Na"	22.989218
"1605786"	773.620718	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Na"	22.989218
"320929"	762.629747	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+H+Na"	23.996494
"711163"	1137.945497	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+H+Na"	23.996494
"1470463"	387.313997	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H+Na"	23.996494
"1060426"	258.54509	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2H+Na"	25.00377
"1262104"	783.664986	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+CH3OH+H"	33.033486
"386146"	1540.226158	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+K"	38.963158
"742767"	2290.857658	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+K"	38.963158
"1542630"	789.594658	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+K"	38.963158
"299811"	770.616717	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+H+K"	39.970434
"695511"	1145.932467	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+H+K"	39.970434
"1460887"	395.300967	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H+K"	39.970434
"244503"	1543.296826	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+ACN+H"	42.033826
"1220490"	792.665326	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+ACN+H"	42.033826
"1209360"	396.836301	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+ACN+2H"	43.041102
"202713"	1546.23416	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+2Na-H"	44.97116
"642275"	2296.86566	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+2Na-H"	44.97116
"1144687"	795.60266	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2Na-H"	44.97116
"183237"	773.620718	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+2Na"	45.978436
"626078"	1148.936468	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+2Na"	45.978436
"1129950"	398.304968	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2Na"	45.978436
"1409096"	265.872404	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H+2Na"	46.985712
"1439023"	797.644246	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H+HCOOH"	47.012746
"231998"	778.65374	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+3H2O+2H"	56.04448
"1514593"	811.69629	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+IsoProp+H"	61.06479
"412457"	781.607688	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+Na+K"	61.952376
"773093"	1156.923438	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+Na+K"	61.952376
"1667601"	406.291938	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Na+K"	61.952376
"253759"	1565.278768	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+ACN+Na"	64.015768
"1226951"	814.647268	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+ACN+Na"	64.015768
"1715354"	814.670793	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+NH4+HCOOH"	64.039293
"1179613"	273.199718	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+3Na"	68.967654
"1653882"	819.626188	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Na+HCOOH"	68.994688
"166212"	1578.18204	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+2K-H"	76.91904
"605776"	2328.81354	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+2K-H"	76.91904
"1092478"	827.55054	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2K-H"	76.91904
"146013"	789.594658	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"2M+2K"	77.926316
"587765"	1164.910408	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"3M+2K"	77.926316
"1073367"	414.278908	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2K"	77.926316
"1105484"	829.565092	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2K+H"	78.933592
"1347340"	829.652707	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+DMSO+H"	79.021207
"1014771"	833.691876	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2ACN+H"	83.060376
"1528525"	834.685508	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+IsoProp+Na+H"	84.054008
"1000438"	417.349576	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+2ACN+2H"	84.067652
"1590569"	835.600128	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+K+HCOOH"	84.968628
"1420604"	865.631638	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+H+CF3COOH"	115.000138
"1151988"	437.862851	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+3ACN+2H"	125.094202
"1701538"	882.658185	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+NH4+CF3COOH"	132.026685
"1649471"	887.61358	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+Na+CF3COOH"	136.98208
"1580501"	903.58752	"C16695"	"Plastoquinol-9;Plastoquinol A"	"C53H82O2"	"750.6315"	"M+K+CF3COOH"	152.95602
"807588"	195.1372	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M"	0
"980025"	176.11881	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-H2O-H"	-19.01839
"63892"	129.084190666667	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M-3H"	-3.021828
"504545"	194.129924	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M-3H"	-3.021828
"880528"	64.0384573333333	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-3H"	-3.021828
"3114"	194.129924	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M-2H"	-2.014552
"441580"	291.698524	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M-2H"	-2.014552
"821569"	96.561324	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-2H"	-2.014552
"89582"	389.267124	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M-H"	-1.007276
"525497"	584.404324	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M-H"	-1.007276
"905488"	194.129924	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-H"	-1.007276
"60963"	406.293671	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M-2H+NH4"	16.019271
"498333"	601.430871	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M-2H+NH4"	16.019271
"878447"	211.156471	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-2H+NH4"	16.019271
"44036"	411.249066	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M-2H+Na"	20.974666
"481410"	606.386266	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M-2H+Na"	20.974666
"859214"	216.111866	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-2H+Na"	20.974666
"1623644"	216.111866	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Na-2H"	20.974666
"99809"	212.118263	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M-H+Cl"	33.962126
"543744"	309.686863	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M-H+Cl"	33.962126
"941270"	114.549663	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-H+Cl"	33.962126
"275816"	425.243802	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+Cl"	34.969402
"668238"	620.381002	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+Cl"	34.969402
"1286841"	230.106602	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Cl"	34.969402
"30130"	427.223006	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M-2H+K"	36.948606
"468230"	622.360206	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M-2H+K"	36.948606
"840564"	232.085806	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-2H+K"	36.948606
"1570577"	232.085806	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+K-2H"	36.948606
"955220"	240.135394	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-H+HCOOH"	44.998194
"373434"	435.272601	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+HCOOH-H"	44.998201
"360235"	449.288251	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+Hac-H"	59.013851
"1506513"	254.151051	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Hac-H"	59.013851
"972231"	262.117351	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-H+NaCOOH"	66.980151
"122231"	230.106602	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+2Cl"	69.938804
"558875"	327.675202	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+2Cl"	69.938804
"1034964"	132.538002	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2Cl"	69.938804
"1248346"	274.056085	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Br"	78.918885
"1314804"	276.112072	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Cl+HCOOH"	80.974872
"1330477"	298.094029	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Cl+NaCOOH"	102.956829
"920440"	308.122786	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M-H+CF3COOH"	112.985586
"1296055"	344.099464	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Cl+CF3COOH"	148.962264
"1372035"	160.124524	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H-2H2O"	-35.012676
"1387343"	178.1345	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H-H2O"	-17.0027
"292501"	391.281676	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+H"	1.007276
"688201"	586.418876	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+H"	1.007276
"1362363"	196.144476	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H"	1.007276
"136344"	196.144476	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+2H"	2.014552
"579916"	293.713076	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+2H"	2.014552
"1047984"	98.575876	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2H"	2.014552
"211513"	131.098742666667	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+3H"	3.021828
"649979"	196.144476	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+3H"	3.021828
"1168104"	66.0530093333333	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+3H"	3.021828
"433563"	408.308223	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+NH4"	18.033823
"794558"	603.445423	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+NH4"	18.033823
"1686515"	213.171023	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+NH4"	18.033823
"336982"	204.6577495	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+H+NH4"	19.041099
"725394"	302.2263495	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+H+NH4"	19.041099
"1478848"	107.0891495	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H+NH4"	19.041099
"394124"	413.263618	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+Na"	22.989218
"761810"	608.400818	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+Na"	22.989218
"1605896"	218.126418	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Na"	22.989218
"321039"	207.135447	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+H+Na"	23.996494
"711273"	304.704047	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+H+Na"	23.996494
"1468388"	109.566847	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H+Na"	23.996494
"1060536"	73.3803233333333	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2H+Na"	25.00377
"1262214"	228.170686	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+CH3OH+H"	33.033486
"389537"	429.237558	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+K"	38.963158
"745065"	624.374758	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+K"	38.963158
"1543835"	234.100358	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+K"	38.963158
"306482"	215.122417	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+H+K"	39.970434
"697808"	312.691017	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+H+K"	39.970434
"1460390"	117.553817	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H+K"	39.970434
"245706"	432.308226	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+ACN+H"	42.033826
"1221330"	237.171026	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+ACN+H"	42.033826
"1209350"	119.089151	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+ACN+2H"	43.041102
"201730"	435.24556	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+2Na-H"	44.97116
"643115"	630.38276	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+2Na-H"	44.97116
"1145284"	240.10836	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2Na-H"	44.97116
"182618"	218.126418	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+2Na"	45.978436
"626311"	315.695018	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+2Na"	45.978436
"1130426"	120.557818	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2Na"	45.978436
"1409206"	80.7076373333333	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H+2Na"	46.985712
"1436947"	242.149946	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H+HCOOH"	47.012746
"231015"	223.15944	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+3H2O+2H"	56.04448
"1516161"	256.20199	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+IsoProp+H"	61.06479
"414388"	226.113388	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+Na+K"	61.952376
"772108"	323.681988	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+Na+K"	61.952376
"1666494"	128.544788	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Na+K"	61.952376
"254231"	454.290168	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+ACN+Na"	64.015768
"1226577"	259.152968	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+ACN+Na"	64.015768
"1718744"	259.176493	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+NH4+HCOOH"	64.039293
"1180451"	88.0349513333333	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+3Na"	68.967654
"1653992"	264.131888	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Na+HCOOH"	68.994688
"167415"	467.19344	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+2K-H"	76.91904
"608435"	662.33064	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+2K-H"	76.91904
"1094044"	272.05624	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2K-H"	76.91904
"146124"	234.100358	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"2M+2K"	77.926316
"588961"	331.668958	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"3M+2K"	77.926316
"1075662"	136.531758	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2K"	77.926316
"1107778"	274.070792	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2K+H"	78.933592
"1340888"	274.158407	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+DMSO+H"	79.021207
"1012698"	278.197576	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2ACN+H"	83.060376
"1533006"	279.191208	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+IsoProp+Na+H"	84.054008
"997269"	139.602426	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+2ACN+2H"	84.067652
"1591771"	280.105828	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+K+HCOOH"	84.968628
"1420713"	310.137338	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+H+CF3COOH"	115.000138
"1151004"	160.115701	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+3ACN+2H"	125.094202
"1700553"	327.163885	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+NH4+CF3COOH"	132.026685
"1648241"	332.11928	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+Na+CF3COOH"	136.98208
"1580611"	348.09322	"C16696"	"Dolichotheline"	"C10H17N3O"	"195.1372"	"M+K+CF3COOH"	152.95602
"807698"	139.0997	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M"	0
"976855"	120.08131	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-H2O-H"	-19.01839
"64366"	91.7258573333333	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M-3H"	-3.021828
"504655"	138.092424	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M-3H"	-3.021828
"881731"	45.3592906666667	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-3H"	-3.021828
"3224"	138.092424	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M-2H"	-2.014552
"441325"	207.642274	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M-2H"	-2.014552
"822773"	68.542574	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-2H"	-2.014552
"88233"	277.192124	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M-H"	-1.007276
"525607"	416.291824	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M-H"	-1.007276
"905598"	138.092424	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-H"	-1.007276
"61073"	294.218671	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M-2H+NH4"	16.019271
"497350"	433.318371	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M-2H+NH4"	16.019271
"878318"	155.118971	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-2H+NH4"	16.019271
"44146"	299.174066	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M-2H+Na"	20.974666
"481520"	438.273766	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M-2H+Na"	20.974666
"859324"	160.074366	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-2H+Na"	20.974666
"1620836"	160.074366	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Na-2H"	20.974666
"98460"	156.080763	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M-H+Cl"	33.962126
"541667"	225.630613	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M-H+Cl"	33.962126
"939557"	86.530913	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-H+Cl"	33.962126
"271916"	313.168802	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+Cl"	34.969402
"667255"	452.268502	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+Cl"	34.969402
"1279660"	174.069102	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Cl"	34.969402
"18201"	315.148006	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M-2H+K"	36.948606
"466152"	454.247706	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M-2H+K"	36.948606
"837393"	176.048306	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-2H+K"	36.948606
"1557601"	176.048306	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+K-2H"	36.948606
"957149"	184.097894	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-H+HCOOH"	44.998194
"371357"	323.197601	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+HCOOH-H"	44.998201
"359249"	337.213251	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+Hac-H"	59.013851
"1504070"	198.113551	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Hac-H"	59.013851
"969060"	206.079851	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-H+NaCOOH"	66.980151
"120154"	174.069102	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+2Cl"	69.938804
"560808"	243.618952	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+2Cl"	69.938804
"1032157"	104.519252	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2Cl"	69.938804
"1249550"	218.018585	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Br"	78.918885
"1316372"	220.074572	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Cl+HCOOH"	80.974872
"1331680"	242.056529	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Cl+NaCOOH"	102.956829
"921643"	252.085286	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M-H+CF3COOH"	112.985586
"1299445"	288.061964	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Cl+CF3COOH"	148.962264
"1372145"	104.087024	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H-2H2O"	-35.012676
"1383201"	122.097	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H-H2O"	-17.0027
"295890"	279.206676	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+H"	1.007276
"686124"	418.306376	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+H"	1.007276
"1359193"	140.106976	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H"	1.007276
"139370"	140.106976	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+2H"	2.014552
"580757"	209.656826	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+2H"	2.014552
"1052229"	70.557126	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2H"	2.014552
"213809"	93.7404093333333	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+3H"	3.021828
"649361"	140.106976	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+3H"	3.021828
"1167121"	47.3738426666667	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+3H"	3.021828
"432580"	296.233223	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+NH4"	18.033823
"793575"	435.332923	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+NH4"	18.033823
"1687719"	157.133523	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+NH4"	18.033823
"339278"	148.6202495	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+H+NH4"	19.041099
"724775"	218.1700995	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+H+NH4"	19.041099
"1479688"	79.0703995	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H+NH4"	19.041099
"394357"	301.188618	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+Na"	22.989218
"763013"	440.288318	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+Na"	22.989218
"1606371"	162.088918	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Na"	22.989218
"322242"	151.097947	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+H+Na"	23.996494
"715758"	220.647797	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+H+Na"	23.996494
"1467405"	81.548097	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H+Na"	23.996494
"1060646"	54.7011566666667	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2H+Na"	25.00377
"1262324"	172.133186	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+CH3OH+H"	33.033486
"389647"	317.162558	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+K"	38.963158
"745175"	456.262258	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+K"	38.963158
"1543946"	178.062858	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+K"	38.963158
"300030"	159.084917	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+H+K"	39.970434
"694269"	228.634767	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+H+K"	39.970434
"1459043"	89.535067	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H+K"	39.970434
"245816"	320.233226	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+ACN+H"	42.033826
"1221805"	181.133526	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+ACN+H"	42.033826
"1205688"	91.070401	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+ACN+2H"	43.041102
"200746"	323.17056	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+2Na-H"	44.97116
"641765"	462.27026	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+2Na-H"	44.97116
"1143812"	184.07086	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2Na-H"	44.97116
"183457"	162.088918	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+2Na"	45.978436
"624110"	231.638768	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+2Na"	45.978436
"1123606"	92.539068	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2Na"	45.978436
"1407129"	62.0284706666667	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H+2Na"	46.985712
"1437058"	186.112446	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H+HCOOH"	47.012746
"229669"	167.12194	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+3H2O+2H"	56.04448
"1513722"	200.16449	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+IsoProp+H"	61.06479
"412312"	170.075888	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+Na+K"	61.952376
"770638"	239.625738	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+Na+K"	61.952376
"1671832"	100.526038	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Na+K"	61.952376
"253977"	342.215168	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+ACN+Na"	64.015768
"1228874"	203.115468	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+ACN+Na"	64.015768
"1714477"	203.138993	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+NH4+HCOOH"	64.039293
"1178981"	69.3557846666667	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+3Na"	68.967654
"1659569"	208.094388	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Na+HCOOH"	68.994688
"168619"	355.11844	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+2K-H"	76.91904
"606361"	494.21814	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+2K-H"	76.91904
"1093787"	216.01874	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2K-H"	76.91904
"146233"	178.062858	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"2M+2K"	77.926316
"587978"	247.612708	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"3M+2K"	77.926316
"1076865"	108.513008	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2K"	77.926316
"1105704"	218.033292	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2K+H"	78.933592
"1343185"	218.120907	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+DMSO+H"	79.021207
"1014994"	222.160076	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2ACN+H"	83.060376
"1529838"	223.153708	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+IsoProp+Na+H"	84.054008
"997380"	111.583676	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+2ACN+2H"	84.067652
"1589695"	224.068328	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+K+HCOOH"	84.968628
"1418637"	254.099838	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+H+CF3COOH"	115.000138
"1151114"	132.096951	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+3ACN+2H"	125.094202
"1700664"	271.126385	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+NH4+CF3COOH"	132.026685
"1637410"	276.08178	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+Na+CF3COOH"	136.98208
"1580721"	292.05572	"C16697"	"1-Indolizidinone;1-Ketooctahydroindolizine"	"C8H13NO"	"139.0997"	"M+K+CF3COOH"	152.95602
"801529"	373.0774	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M"	0
"975264"	354.05901	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H2O-H"	-19.01839
"65207"	247.710990666667	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-3H"	-3.021828
"505864"	372.070124	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-3H"	-3.021828
"892415"	123.351857333333	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-3H"	-3.021828
"13176"	372.070124	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H"	-2.014552
"450551"	558.608824	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H"	-2.014552
"826167"	185.531424	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H"	-2.014552
"87251"	745.147524	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-H"	-1.007276
"525719"	1118.224924	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-H"	-1.007276
"907898"	372.070124	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H"	-1.007276
"62156"	762.174071	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+NH4"	16.019271
"497460"	1135.251471	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+NH4"	16.019271
"879394"	389.096671	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+NH4"	16.019271
"45959"	767.129466	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+Na"	20.974666
"481630"	1140.206866	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+Na"	20.974666
"859434"	394.052066	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+Na"	20.974666
"1627874"	394.052066	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na-2H"	20.974666
"104403"	390.058463	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-H+Cl"	33.962126
"543965"	576.597163	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-H+Cl"	33.962126
"939667"	203.519763	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+Cl"	33.962126
"277130"	781.124202	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Cl"	34.969402
"669553"	1154.201602	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Cl"	34.969402
"1281958"	408.046802	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl"	34.969402
"21234"	783.103406	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+K"	36.948606
"464075"	1156.180806	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+K"	36.948606
"846254"	410.026006	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+K"	36.948606
"1566463"	410.026006	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K-2H"	36.948606
"948879"	418.075594	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+HCOOH"	44.998194
"369279"	791.153001	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+HCOOH-H"	44.998201
"357173"	805.168651	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Hac-H"	59.013851
"1500902"	432.091251	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Hac-H"	59.013851
"970265"	440.057551	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+NaCOOH"	66.980151
"122816"	408.046802	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Cl"	69.938804
"559095"	594.585502	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Cl"	69.938804
"1026802"	221.508102	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Cl"	69.938804
"1247474"	451.996285	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Br"	78.918885
"1314296"	454.052272	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+HCOOH"	80.974872
"1327418"	476.034229	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+NaCOOH"	102.956829
"919569"	486.062986	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+CF3COOH"	112.985586
"1292997"	522.039664	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+CF3COOH"	148.962264
"1372255"	338.064724	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H-2H2O"	-35.012676
"1390850"	356.0747	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H-H2O"	-17.0027
"290535"	747.162076	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H"	1.007276
"679675"	1120.239476	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H"	1.007276
"1358210"	374.084676	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H"	1.007276
"128911"	374.084676	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2H"	2.014552
"567378"	560.623376	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2H"	2.014552
"1042741"	187.545976	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2H"	2.014552
"212826"	249.725542666667	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+3H"	3.021828
"653481"	374.084676	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+3H"	3.021828
"1167232"	125.366409333333	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+3H"	3.021828
"430504"	764.188623	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+NH4"	18.033823
"791499"	1137.266023	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+NH4"	18.033823
"1687830"	391.111223	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4"	18.033823
"332101"	382.5979495	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+NH4"	19.041099
"723545"	569.1366495	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+NH4"	19.041099
"1482355"	196.0592495	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+NH4"	19.041099
"396660"	769.144018	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Na"	22.989218
"762038"	1142.221418	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Na"	22.989218
"1607947"	396.066618	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na"	22.989218
"318710"	385.075647	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+Na"	23.996494
"716968"	571.614347	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+Na"	23.996494
"1471886"	198.536947	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+Na"	23.996494
"1060756"	132.693723333333	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2H+Na"	25.00377
"1268997"	406.110886	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+CH3OH+H"	33.033486
"390123"	785.117958	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+K"	38.963158
"745286"	1158.195358	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+K"	38.963158
"1543691"	412.040558	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K"	38.963158
"301233"	393.062617	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+K"	39.970434
"695117"	579.601317	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+K"	39.970434
"1458425"	206.523917	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+K"	39.970434
"248843"	788.188626	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+ACN+H"	42.033826
"1220822"	415.111226	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+H"	42.033826
"1208838"	208.059251	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+2H"	43.041102
"201951"	791.12596	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Na-H"	44.97116
"643459"	1164.20336	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Na-H"	44.97116
"1142830"	418.04856	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Na-H"	44.97116
"183933"	396.066618	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Na"	45.978436
"621305"	582.605318	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Na"	45.978436
"1124810"	209.527918	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Na"	45.978436
"1405054"	140.021037333333	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+2Na"	46.985712
"1437168"	420.090146	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+HCOOH"	47.012746
"223946"	401.09964	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+3H2O+2H"	56.04448
"1512737"	434.14219	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+IsoProp+H"	61.06479
"421911"	404.053588	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Na+K"	61.952376
"781083"	590.592288	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Na+K"	61.952376
"1671943"	217.514888	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+K"	61.952376
"255182"	810.170568	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+ACN+Na"	64.015768
"1235547"	437.093168	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+Na"	64.015768
"1723340"	437.116693	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4+HCOOH"	64.039293
"1190882"	147.348351333333	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+3Na"	68.967654
"1660775"	442.072088	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+HCOOH"	68.994688
"169460"	823.07384	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2K-H"	76.91904
"605743"	1196.15124	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2K-H"	76.91904
"1091716"	449.99644	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K-H"	76.91904
"144158"	412.040558	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2K"	77.926316
"585907"	598.579258	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2K"	77.926316
"1074794"	225.501858	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K"	77.926316
"1104722"	452.010992	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K+H"	78.933592
"1342202"	452.098607	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+DMSO+H"	79.021207
"1012919"	456.137776	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2ACN+H"	83.060376
"1534324"	457.131408	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+IsoProp+Na+H"	84.054008
"997488"	228.572526	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2ACN+2H"	84.067652
"1593088"	458.046028	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K+HCOOH"	84.968628
"1426406"	488.077538	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+CF3COOH"	115.000138
"1156697"	249.085801	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+3ACN+2H"	125.094202
"1707342"	505.104085	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4+CF3COOH"	132.026685
"1647367"	510.05948	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+CF3COOH"	136.98208
"1574270"	526.03342	"C16698"	"N-Acetylmuramic acid 6-phosphate;N-Acetylmuramate 6-phosphate;MurNAc 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K+CF3COOH"	152.95602
"801722"	348.0458	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M"	0
"976346"	329.02741	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-H2O-H"	-19.01839
"64224"	231.023257333333	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M-3H"	-3.021828
"505974"	347.038524	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M-3H"	-3.021828
"892525"	115.007990666667	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-3H"	-3.021828
"13286"	347.038524	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M-2H"	-2.014552
"447378"	521.061424	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M-2H"	-2.014552
"828464"	173.015624	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-2H"	-2.014552
"87362"	695.084324	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M-H"	-1.007276
"524735"	1043.130124	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M-H"	-1.007276
"905819"	347.038524	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-H"	-1.007276
"59101"	712.110871	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M-2H+NH4"	16.019271
"497570"	1060.156671	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M-2H+NH4"	16.019271
"878898"	364.065071	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-2H+NH4"	16.019271
"44367"	717.066266	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M-2H+Na"	20.974666
"482835"	1065.112066	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M-2H+Na"	20.974666
"858451"	369.020466	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-2H+Na"	20.974666
"1626891"	369.020466	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Na-2H"	20.974666
"104513"	365.026863	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M-H+Cl"	33.962126
"542980"	539.049763	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M-H+Cl"	33.962126
"939775"	191.003963	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-H+Cl"	33.962126
"278334"	731.061002	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+Cl"	34.969402
"668570"	1079.106802	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+Cl"	34.969402
"1278788"	383.015202	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Cl"	34.969402
"22437"	733.040206	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M-2H+K"	36.948606
"464185"	1081.086006	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M-2H+K"	36.948606
"846364"	384.994406	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-2H+K"	36.948606
"1568760"	384.994406	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+K-2H"	36.948606
"954456"	393.043994	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-H+HCOOH"	44.998194
"369388"	741.089801	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+HCOOH-H"	44.998201
"355461"	755.105451	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+Hac-H"	59.013851
"1502105"	407.059651	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Hac-H"	59.013851
"968552"	415.025951	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-H+NaCOOH"	66.980151
"122198"	383.015202	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+2Cl"	69.938804
"561028"	557.038102	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+2Cl"	69.938804
"1029099"	208.992302	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2Cl"	69.938804
"1248678"	426.964685	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Br"	78.918885
"1316593"	429.020672	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Cl+HCOOH"	80.974872
"1332995"	451.002629	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Cl+NaCOOH"	102.956829
"924053"	461.031386	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M-H+CF3COOH"	112.985586
"1294201"	497.008064	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Cl+CF3COOH"	148.962264
"1371271"	313.033124	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H-2H2O"	-35.012676
"1386587"	331.0431	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H-H2O"	-17.0027
"289552"	697.098876	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+H"	1.007276
"678692"	1045.144676	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+H"	1.007276
"1356133"	349.053076	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H"	1.007276
"127563"	349.053076	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+2H"	2.014552
"569674"	523.075976	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+2H"	2.014552
"1039934"	175.030176	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2H"	2.014552
"208927"	233.037809333333	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+3H"	3.021828
"650312"	349.053076	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+3H"	3.021828
"1169530"	117.022542666667	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+3H"	3.021828
"430979"	714.125423	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+NH4"	18.033823
"791609"	1062.171223	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+NH4"	18.033823
"1687211"	366.079623	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+NH4"	18.033823
"330182"	357.5663495	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+H+NH4"	19.041099
"722968"	531.5892495	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+H+NH4"	19.041099
"1482465"	183.5434495	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H+NH4"	19.041099
"397864"	719.080818	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+Na"	22.989218
"759954"	1067.126618	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+Na"	22.989218
"1604775"	371.035018	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Na"	22.989218
"316270"	360.044047	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+H+Na"	23.996494
"714891"	534.066947	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+H+Na"	23.996494
"1470903"	186.021147	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H+Na"	23.996494
"1057587"	124.349856666667	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2H+Na"	25.00377
"1263640"	381.079286	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+CH3OH+H"	33.033486
"384401"	735.054758	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+K"	38.963158
"745396"	1083.100558	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+K"	38.963158
"1542344"	387.008958	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+K"	38.963158
"299399"	368.031017	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+H+K"	39.970434
"694498"	542.053917	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+H+K"	39.970434
"1459262"	194.008117	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H+K"	39.970434
"249319"	738.125426	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+ACN+H"	42.033826
"1222755"	390.079626	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+ACN+H"	42.033826
"1209190"	195.543451	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+ACN+2H"	43.041102
"202061"	741.06276	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+2Na-H"	44.97116
"642715"	1089.10856	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+2Na-H"	44.97116
"1141847"	393.01696	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2Na-H"	44.97116
"184043"	371.035018	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+2Na"	45.978436
"624697"	545.057918	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+2Na"	45.978436
"1123827"	197.012118	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2Na"	45.978436
"1405164"	131.677170666667	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H+2Na"	46.985712
"1438371"	395.058546	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H+HCOOH"	47.012746
"223692"	376.06804	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+3H2O+2H"	56.04448
"1510660"	409.11059	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+IsoProp+H"	61.06479
"422385"	379.021988	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+Na+K"	61.952376
"780100"	553.044888	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+Na+K"	61.952376
"1672053"	204.999088	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Na+K"	61.952376
"253105"	760.107368	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+ACN+Na"	64.015768
"1234563"	412.061568	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+ACN+Na"	64.015768
"1721262"	412.085093	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+NH4+HCOOH"	64.039293
"1182242"	139.004484666667	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+3Na"	68.967654
"1654322"	417.040488	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Na+HCOOH"	68.994688
"166652"	773.01064	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+2K-H"	76.91904
"601837"	1121.05644	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+2K-H"	76.91904
"1086224"	424.96484	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2K-H"	76.91904
"147550"	387.008958	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"2M+2K"	77.926316
"584922"	561.031858	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"3M+2K"	77.926316
"1073804"	212.986058	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2K"	77.926316
"1104831"	426.979392	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2K+H"	78.933592
"1343400"	427.067007	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+DMSO+H"	79.021207
"1010837"	431.106176	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2ACN+H"	83.060376
"1528963"	432.099808	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+IsoProp+Na+H"	84.054008
"995409"	216.056726	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+2ACN+2H"	84.067652
"1589915"	433.014428	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+K+HCOOH"	84.968628
"1424333"	463.045938	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+H+CF3COOH"	115.000138
"1157900"	236.570001	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+3ACN+2H"	125.094202
"1707452"	480.072485	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+NH4+CF3COOH"	132.026685
"1647477"	485.02788	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+Na+CF3COOH"	136.98208
"1580941"	501.00182	"C16699"	"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate"	"C9H17O12P"	"348.0458"	"M+K+CF3COOH"	152.95602
"804748"	138.0317	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M"	0
"977186"	119.01331	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-H2O-H"	-19.01839
"66519"	91.0138573333333	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M-3H"	-3.021828
"508271"	137.024424	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M-3H"	-3.021828
"895350"	45.0032906666667	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-3H"	-3.021828
"10116"	137.024424	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M-2H"	-2.014552
"447487"	206.040274	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M-2H"	-2.014552
"831489"	68.008574	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-2H"	-2.014552
"87472"	275.056124	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M-H"	-1.007276
"525937"	413.087824	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M-H"	-1.007276
"911036"	137.024424	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-H"	-1.007276
"60304"	292.082671	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M-2H+NH4"	16.019271
"499867"	430.114371	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M-2H+NH4"	16.019271
"879129"	154.050971	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-2H+NH4"	16.019271
"41197"	297.038066	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M-2H+Na"	20.974666
"486064"	435.069766	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M-2H+Na"	20.974666
"858561"	159.006366	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-2H+Na"	20.974666
"1627001"	159.006366	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Na-2H"	20.974666
"101343"	155.012763	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M-H+Cl"	33.962126
"540174"	224.028613	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M-H+Cl"	33.962126
"933325"	85.996913	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-H+Cl"	33.962126
"278444"	311.032802	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+Cl"	34.969402
"671960"	449.064502	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+Cl"	34.969402
"1285458"	173.001102	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Cl"	34.969402
"23641"	313.012006	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M-2H+K"	36.948606
"465388"	451.043706	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M-2H+K"	36.948606
"846474"	174.980306	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-2H+K"	36.948606
"1564496"	174.980306	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+K-2H"	36.948606
"953473"	183.029894	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-H+HCOOH"	44.998194
"366218"	321.061601	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+HCOOH-H"	44.998201
"351195"	335.077251	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+Hac-H"	59.013851
"1503308"	197.045551	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Hac-H"	59.013851
"968297"	205.011851	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-H+NaCOOH"	66.980151
"119756"	173.001102	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+2Cl"	69.938804
"561138"	242.016952	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+2Cl"	69.938804
"1030303"	103.985252	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2Cl"	69.938804
"1250975"	216.950585	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Br"	78.918885
"1317796"	219.006572	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Cl+HCOOH"	80.974872
"1334199"	240.988529	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Cl+NaCOOH"	102.956829
"923069"	251.017286	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M-H+CF3COOH"	112.985586
"1296498"	286.993964	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Cl+CF3COOH"	148.962264
"1373567"	103.019024	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H-2H2O"	-35.012676
"1396538"	121.029	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H-H2O"	-17.0027
"290756"	277.070676	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+H"	1.007276
"682082"	415.102376	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+H"	1.007276
"1357336"	139.038976	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H"	1.007276
"133505"	139.038976	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+2H"	2.014552
"574159"	208.054826	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+2H"	2.014552
"1041868"	70.023126	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2H"	2.014552
"213047"	93.0284093333333	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+3H"	3.021828
"653702"	139.038976	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+3H"	3.021828
"1175108"	47.0178426666667	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+3H"	3.021828
"436193"	294.097223	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+NH4"	18.033823
"796094"	432.128923	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+NH4"	18.033823
"1694247"	156.065523	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+NH4"	18.033823
"335600"	147.5522495	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+H+NH4"	19.041099
"728386"	216.5680995	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+H+NH4"	19.041099
"1482575"	78.5363995	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H+NH4"	19.041099
"397974"	299.052618	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+Na"	22.989218
"760064"	437.084318	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+Na"	22.989218
"1608164"	161.020918	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Na"	22.989218
"319295"	150.029947	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+H+Na"	23.996494
"713908"	219.045797	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+H+Na"	23.996494
"1472107"	81.014097	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H+Na"	23.996494
"1060977"	54.3451566666667	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2H+Na"	25.00377
"1269945"	171.065186	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+CH3OH+H"	33.033486
"388884"	315.026558	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+K"	38.963158
"750609"	453.058258	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+K"	38.963158
"1547557"	176.994858	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+K"	38.963158
"310202"	158.016917	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+H+K"	39.970434
"697159"	227.032767	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+H+K"	39.970434
"1459615"	89.001067	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H+K"	39.970434
"250525"	318.097226	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+ACN+H"	42.033826
"1222865"	180.065526	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+ACN+H"	42.033826
"1208814"	90.536401	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+ACN+2H"	43.041102
"203996"	321.03456	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+2Na-H"	44.97116
"643554"	459.06626	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+2Na-H"	44.97116
"1142685"	183.00286	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2Na-H"	44.97116
"188516"	161.020918	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+2Na"	45.978436
"628475"	230.036768	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+2Na"	45.978436
"1123937"	92.005068	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2Na"	45.978436
"1410377"	61.6724706666667	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H+2Na"	46.985712
"1437389"	185.044446	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H+HCOOH"	47.012746
"224169"	166.05394	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+3H2O+2H"	56.04448
"1512591"	199.09649	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+IsoProp+H"	61.06479
"422495"	169.007888	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+Na+K"	61.952376
"779117"	238.023738	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+Na+K"	61.952376
"1671070"	99.992038	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Na+K"	61.952376
"255402"	340.079168	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+ACN+Na"	64.015768
"1235767"	202.047468	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+ACN+Na"	64.015768
"1721372"	202.070993	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+NH4+HCOOH"	64.039293
"1185633"	68.9997846666667	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+3Na"	68.967654
"1656618"	207.026388	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Na+HCOOH"	68.994688
"166762"	352.98244	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+2K-H"	76.91904
"604135"	491.01414	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+2K-H"	76.91904
"1089740"	214.95074	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2K-H"	76.91904
"147660"	176.994858	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"2M+2K"	77.926316
"583939"	246.010708	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"3M+2K"	77.926316
"1073914"	107.979008	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2K"	77.926316
"1102876"	216.965292	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2K+H"	78.933592
"1343510"	217.052907	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+DMSO+H"	79.021207
"1014227"	221.092076	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2ACN+H"	83.060376
"1531261"	222.085708	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+IsoProp+Na+H"	84.054008
"997708"	111.049676	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+2ACN+2H"	84.067652
"1596586"	223.000328	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+K+HCOOH"	84.968628
"1420059"	253.031838	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+H+CF3COOH"	115.000138
"1158010"	131.562951	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+3ACN+2H"	125.094202
"1707562"	270.058385	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+NH4+CF3COOH"	132.026685
"1646494"	275.01378	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+Na+CF3COOH"	136.98208
"1581051"	290.98772	"C16700"	"34-Dihydroxybenzaldehyde;Protocatechualdehyde"	"C7H6O3"	"138.0317"	"M+K+CF3COOH"	152.95602
"801699"	259.1208	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M"	0
"974514"	240.10241	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-H2O-H"	-19.01839
"64078"	171.739924	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M-3H"	-3.021828
"506194"	258.113524	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M-3H"	-3.021828
"890559"	85.366324	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-3H"	-3.021828
"8040"	258.113524	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M-2H"	-2.014552
"445411"	387.673924	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M-2H"	-2.014552
"822123"	128.553124	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-2H"	-2.014552
"86488"	517.234324	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M-H"	-1.007276
"521673"	776.355124	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M-H"	-1.007276
"908955"	258.113524	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-H"	-1.007276
"59321"	534.260871	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M-2H+NH4"	16.019271
"499977"	793.381671	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M-2H+NH4"	16.019271
"877782"	275.140071	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-2H+NH4"	16.019271
"40214"	539.216266	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M-2H+Na"	20.974666
"481962"	798.337066	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M-2H+Na"	20.974666
"857578"	280.095466	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-2H+Na"	20.974666
"1627111"	280.095466	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Na-2H"	20.974666
"101453"	276.101863	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M-H+Cl"	33.962126
"539920"	405.662263	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M-H+Cl"	33.962126
"933435"	146.541463	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-H+Cl"	33.962126
"275272"	553.211002	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+Cl"	34.969402
"672070"	812.331802	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+Cl"	34.969402
"1284476"	294.090202	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Cl"	34.969402
"23751"	555.190206	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M-2H+K"	36.948606
"465498"	814.311006	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M-2H+K"	36.948606
"846584"	296.069406	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-2H+K"	36.948606
"1564606"	296.069406	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+K-2H"	36.948606
"954312"	304.118994	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-H+HCOOH"	44.998194
"368515"	563.239801	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+HCOOH-H"	44.998201
"351305"	577.255451	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+Hac-H"	59.013851
"1503418"	318.134651	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Hac-H"	59.013851
"969865"	326.100951	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-H+NaCOOH"	66.980151
"124605"	294.090202	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+2Cl"	69.938804
"559426"	423.650602	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+2Cl"	69.938804
"1028227"	164.529802	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2Cl"	69.938804
"1252179"	338.039685	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Br"	78.918885
"1317906"	340.095672	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Cl+HCOOH"	80.974872
"1334189"	362.077629	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Cl+NaCOOH"	102.956829
"924273"	372.106386	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M-H+CF3COOH"	112.985586
"1296608"	408.083064	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Cl+CF3COOH"	148.962264
"1372585"	224.108124	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H-2H2O"	-35.012676
"1394461"	242.1181	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H-H2O"	-17.0027
"290866"	519.248876	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+H"	1.007276
"680006"	778.369676	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+H"	1.007276
"1355260"	260.128076	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H"	1.007276
"128149"	260.128076	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+2H"	2.014552
"573176"	389.688476	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+2H"	2.014552
"1040885"	130.567676	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2H"	2.014552
"210970"	173.754476	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+3H"	3.021828
"653812"	260.128076	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+3H"	3.021828
"1173031"	87.380876	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+3H"	3.021828
"431929"	536.275423	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+NH4"	18.033823
"792923"	795.396223	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+NH4"	18.033823
"1689256"	277.154623	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+NH4"	18.033823
"332066"	268.6413495	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+H+NH4"	19.041099
"726309"	398.2017495	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+H+NH4"	19.041099
"1481592"	139.0809495	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H+NH4"	19.041099
"395896"	541.230818	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+Na"	22.989218
"756894"	800.351618	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+Na"	22.989218
"1608274"	282.110018	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Na"	22.989218
"319405"	271.119047	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+H+Na"	23.996494
"714018"	400.679447	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+H+Na"	23.996494
"1471123"	141.558647	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H+Na"	23.996494
"1061087"	94.70819	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2H+Na"	25.00377
"1266046"	292.154286	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+CH3OH+H"	33.033486
"386806"	557.204758	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+K"	38.963158
"745614"	816.325558	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+K"	38.963158
"1543293"	298.083958	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+K"	38.963158
"308125"	279.106017	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+H+K"	39.970434
"695447"	408.666417	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+H+K"	39.970434
"1459846"	149.545617	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H+K"	39.970434
"251246"	560.275426	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+ACN+H"	42.033826
"1222611"	301.154626	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+ACN+H"	42.033826
"1209045"	151.080951	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+ACN+2H"	43.041102
"204025"	563.21276	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+2Na-H"	44.97116
"643955"	822.33356	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+2Na-H"	44.97116
"1144618"	304.09196	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2Na-H"	44.97116
"183899"	282.110018	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+2Na"	45.978436
"628502"	411.670418	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+2Na"	45.978436
"1124047"	152.549618	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2Na"	45.978436
"1410851"	102.035504	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H+2Na"	46.985712
"1437499"	306.133546	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H+HCOOH"	47.012746
"225008"	287.14304	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+3H2O+2H"	56.04448
"1509422"	320.18559	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+IsoProp+H"	61.06479
"422605"	290.096988	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+Na+K"	61.952376
"780320"	419.657388	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+Na+K"	61.952376
"1671180"	160.536588	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Na+K"	61.952376
"255512"	582.257368	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+ACN+Na"	64.015768
"1231502"	323.136568	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+ACN+Na"	64.015768
"1717107"	323.160093	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+NH4+HCOOH"	64.039293
"1183556"	109.362818	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+3Na"	68.967654
"1653448"	328.115488	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Na+HCOOH"	68.994688
"166872"	595.16064	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+2K-H"	76.91904
"601329"	854.28144	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+2K-H"	76.91904
"1086932"	336.03984	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2K-H"	76.91904
"145583"	298.083958	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"2M+2K"	77.926316
"585142"	427.644358	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"3M+2K"	77.926316
"1072931"	168.523558	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2K"	77.926316
"1106144"	338.054392	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2K+H"	78.933592
"1342527"	338.142007	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+DMSO+H"	79.021207
"1011055"	342.181176	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2ACN+H"	83.060376
"1531371"	343.174808	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+IsoProp+Na+H"	84.054008
"996723"	171.594226	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+2ACN+2H"	84.067652
"1594509"	344.089428	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+K+HCOOH"	84.968628
"1421262"	374.120938	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+H+CF3COOH"	115.000138
"1159213"	192.107501	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+3ACN+2H"	125.094202
"1707672"	391.147485	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+NH4+CF3COOH"	132.026685
"1646603"	396.10288	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+Na+CF3COOH"	136.98208
"1581161"	412.07682	"C16701"	"Norbelladine"	"C15H17NO3"	"259.1208"	"M+K+CF3COOH"	152.95602
"802781"	273.1365	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M"	0
"977406"	254.11811	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-H2O-H"	-19.01839
"64552"	181.083724	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M-3H"	-3.021828
"508490"	272.129224	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M-3H"	-3.021828
"894680"	90.038224	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-3H"	-3.021828
"10336"	272.129224	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M-2H"	-2.014552
"445521"	408.697474	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M-2H"	-2.014552
"823326"	135.560974	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-2H"	-2.014552
"87691"	545.265724	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M-H"	-1.007276
"523970"	818.402224	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M-H"	-1.007276
"908945"	272.129224	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-H"	-1.007276
"60161"	562.292271	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M-2H+NH4"	16.019271
"497900"	835.428771	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M-2H+NH4"	16.019271
"875701"	289.155771	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-2H+NH4"	16.019271
"45548"	567.247666	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M-2H+Na"	20.974666
"482072"	840.384166	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M-2H+Na"	20.974666
"857687"	294.111166	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-2H+Na"	20.974666
"1627221"	294.111166	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Na-2H"	20.974666
"103748"	290.117563	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M-H+Cl"	33.962126
"540030"	426.685813	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M-H+Cl"	33.962126
"933545"	153.549313	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-H+Cl"	33.962126
"268821"	581.242402	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+Cl"	34.969402
"668900"	854.378902	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+Cl"	34.969402
"1276932"	308.105902	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Cl"	34.969402
"22768"	583.221606	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M-2H+K"	36.948606
"461235"	856.358106	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M-2H+K"	36.948606
"846329"	310.085106	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-2H+K"	36.948606
"1564716"	310.085106	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+K-2H"	36.948606
"954786"	318.134694	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-H+HCOOH"	44.998194
"368625"	591.271201	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+HCOOH-H"	44.998201
"351415"	605.286851	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+Hac-H"	59.013851
"1501341"	332.150351	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Hac-H"	59.013851
"969611"	340.116651	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-H+NaCOOH"	66.980151
"121799"	308.105902	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+2Cl"	69.938804
"560629"	444.674152	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+2Cl"	69.938804
"1028337"	171.537652	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2Cl"	69.938804
"1252289"	352.055385	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Br"	78.918885
"1315829"	354.111372	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Cl+HCOOH"	80.974872
"1335149"	376.093329	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Cl+NaCOOH"	102.956829
"925476"	386.122086	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M-H+CF3COOH"	112.985586
"1297811"	422.098764	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Cl+CF3COOH"	148.962264
"1370508"	238.123824	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H-2H2O"	-35.012676
"1386916"	256.1338	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H-H2O"	-17.0027
"284413"	547.280276	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+H"	1.007276
"679021"	820.416776	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+H"	1.007276
"1352090"	274.143776	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H"	1.007276
"127530"	274.143776	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+2H"	2.014552
"570007"	410.712026	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+2H"	2.014552
"1043182"	137.575526	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2H"	2.014552
"211080"	183.098276	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+3H"	3.021828
"653922"	274.143776	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+3H"	3.021828
"1173141"	92.052776	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+3H"	3.021828
"435320"	564.306823	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+NH4"	18.033823
"793034"	837.443323	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+NH4"	18.033823
"1691552"	291.170323	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+NH4"	18.033823
"335453"	282.6570495	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+H+NH4"	19.041099
"726418"	419.2252995	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+H+NH4"	19.041099
"1480609"	146.0887995	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H+NH4"	19.041099
"395274"	569.262218	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+Na"	22.989218
"757004"	842.398718	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+Na"	22.989218
"1606196"	296.125718	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Na"	22.989218
"317692"	285.134747	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+H+Na"	23.996494
"715221"	421.702997	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+H+Na"	23.996494
"1472325"	148.566497	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H+Na"	23.996494
"1061196"	99.38009	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2H+Na"	25.00377
"1269435"	306.169986	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+CH3OH+H"	33.033486
"383636"	585.236158	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+K"	38.963158
"740983"	858.372658	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+K"	38.963158
"1541216"	312.099658	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+K"	38.963158
"304955"	293.121717	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+H+K"	39.970434
"696650"	429.689967	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+H+K"	39.970434
"1459227"	156.553467	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H+K"	39.970434
"251111"	588.306826	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+ACN+H"	42.033826
"1223814"	315.170326	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+ACN+H"	42.033826
"1207698"	158.088801	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+ACN+2H"	43.041102
"203244"	591.24416	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+2Na-H"	44.97116
"643901"	864.38066	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+2Na-H"	44.97116
"1145457"	318.10766	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2Na-H"	44.97116
"185466"	296.125718	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+2Na"	45.978436
"627338"	432.693968	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+2Na"	45.978436
"1127437"	159.557468	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2Na"	45.978436
"1410961"	106.707404	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H+2Na"	46.985712
"1437608"	320.149246	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H+HCOOH"	47.012746
"224024"	301.15874	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+3H2O+2H"	56.04448
"1512084"	334.20129	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+IsoProp+H"	61.06479
"421623"	304.112688	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+Na+K"	61.952376
"780430"	440.680938	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+Na+K"	61.952376
"1673477"	167.544438	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Na+K"	61.952376
"255622"	610.288768	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+ACN+Na"	64.015768
"1228693"	337.152268	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+ACN+Na"	64.015768
"1718307"	337.175793	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+NH4+HCOOH"	64.039293
"1182569"	114.034718	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+3Na"	68.967654
"1655011"	342.131188	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Na+HCOOH"	68.994688
"162604"	623.19204	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+2K-H"	76.91904
"603257"	896.32854	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+2K-H"	76.91904
"1089959"	350.05554	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2K-H"	76.91904
"147511"	312.099658	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"2M+2K"	77.926316
"584156"	448.667908	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"3M+2K"	77.926316
"1073041"	175.531408	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2K"	77.926316
"1105158"	352.070092	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2K+H"	78.933592
"1336560"	352.157707	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+DMSO+H"	79.021207
"1007884"	356.196876	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2ACN+H"	83.060376
"1527104"	357.190508	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+IsoProp+Na+H"	84.054008
"995739"	178.602076	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+2ACN+2H"	84.067652
"1592431"	358.105128	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+K+HCOOH"	84.968628
"1418092"	388.136638	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+H+CF3COOH"	115.000138
"1159323"	199.115351	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+3ACN+2H"	125.094202
"1707782"	405.163185	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+NH4+CF3COOH"	132.026685
"1647807"	410.11858	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+Na+CF3COOH"	136.98208
"1581271"	426.09252	"C16702"	"4-O-Methylnorbelladine"	"C16H19NO3"	"273.1365"	"M+K+CF3COOH"	152.95602
"811639"	271.1208	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M"	0
"978611"	252.10241	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-H2O-H"	-19.01839
"64176"	179.739924	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M-3H"	-3.021828
"505321"	270.113524	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M-3H"	-3.021828
"894059"	89.366324	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-3H"	-3.021828
"9353"	270.113524	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M-2H"	-2.014552
"445631"	405.673924	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M-2H"	-2.014552
"825621"	134.553124	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-2H"	-2.014552
"85615"	541.234324	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M-H"	-1.007276
"524080"	812.355124	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M-H"	-1.007276
"909176"	270.113524	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-H"	-1.007276
"59541"	558.260871	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M-2H+NH4"	16.019271
"495824"	829.381671	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M-2H+NH4"	16.019271
"874718"	287.140071	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-2H+NH4"	16.019271
"44444"	563.216266	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M-2H+Na"	20.974666
"482182"	834.337066	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M-2H+Na"	20.974666
"856704"	292.095466	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-2H+Na"	20.974666
"1626237"	292.095466	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Na-2H"	20.974666
"102765"	288.101863	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M-H+Cl"	33.962126
"540140"	423.662263	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M-H+Cl"	33.962126
"933655"	152.541463	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-H+Cl"	33.962126
"268931"	577.211002	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+Cl"	34.969402
"669010"	848.331802	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+Cl"	34.969402
"1281416"	306.090202	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Cl"	34.969402
"26160"	579.190206	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M-2H+K"	36.948606
"461345"	850.311006	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M-2H+K"	36.948606
"844618"	308.069406	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-2H+K"	36.948606
"1564828"	308.069406	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+K-2H"	36.948606
"953803"	316.118994	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-H+HCOOH"	44.998194
"367642"	587.239801	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+HCOOH-H"	44.998201
"349339"	601.255451	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+Hac-H"	59.013851
"1498171"	330.134651	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Hac-H"	59.013851
"965711"	338.100951	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-H+NaCOOH"	66.980151
"120088"	306.090202	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+2Cl"	69.938804
"556365"	441.650602	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+2Cl"	69.938804
"1034281"	170.529802	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2Cl"	69.938804
"1254223"	350.039685	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Br"	78.918885
"1316305"	352.095672	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Cl+HCOOH"	80.974872
"1333924"	374.077629	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Cl+NaCOOH"	102.956829
"925229"	384.106386	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M-H+CF3COOH"	112.985586
"1302543"	420.083064	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Cl+CF3COOH"	148.962264
"1376085"	236.108124	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H-2H2O"	-35.012676
"1383256"	254.1181	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H-H2O"	-17.0027
"285618"	543.248876	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+H"	1.007276
"684597"	814.369676	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+H"	1.007276
"1358760"	272.128076	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H"	1.007276
"128370"	272.128076	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+2H"	2.014552
"570117"	407.688476	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+2H"	2.014552
"1042559"	136.567676	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2H"	2.014552
"207910"	181.754476	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+3H"	3.021828
"649658"	272.128076	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+3H"	3.021828
"1175073"	91.380876	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+3H"	3.021828
"436160"	560.275423	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+NH4"	18.033823
"794240"	831.396223	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+NH4"	18.033823
"1690570"	289.154623	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+NH4"	18.033823
"333378"	280.6413495	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+H+NH4"	19.041099
"728716"	416.2017495	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+H+NH4"	19.041099
"1486183"	145.0809495	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H+NH4"	19.041099
"398662"	565.230818	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+Na"	22.989218
"756382"	836.351618	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+Na"	22.989218
"1604841"	294.110018	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Na"	22.989218
"316345"	283.119047	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+H+Na"	23.996494
"709129"	418.679447	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+H+Na"	23.996494
"1472435"	147.558647	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H+Na"	23.996494
"1061306"	98.70819	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2H+Na"	25.00377
"1268453"	304.154286	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+CH3OH+H"	33.033486
"383746"	581.204758	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+K"	38.963158
"740121"	852.325558	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+K"	38.963158
"1541082"	310.083958	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+K"	38.963158
"305065"	291.106017	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+H+K"	39.970434
"696031"	426.666417	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+H+K"	39.970434
"1460431"	155.545617	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H+K"	39.970434
"250493"	584.275426	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+ACN+H"	42.033826
"1223924"	313.154626	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+ACN+H"	42.033826
"1207444"	157.080951	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+ACN+2H"	43.041102
"203232"	587.21276	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+2Na-H"	44.97116
"643643"	858.33356	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+2Na-H"	44.97116
"1146299"	316.09196	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2Na-H"	44.97116
"185942"	294.110018	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+2Na"	45.978436
"626597"	429.670418	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+2Na"	45.978436
"1126454"	158.549618	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2Na"	45.978436
"1411071"	106.035504	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H+2Na"	46.985712
"1439906"	318.133546	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H+HCOOH"	47.012746
"227414"	299.14304	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+3H2O+2H"	56.04448
"1514381"	332.18559	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+IsoProp+H"	61.06479
"416263"	302.096988	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+Na+K"	61.952376
"779446"	437.657388	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+Na+K"	61.952376
"1668120"	166.536588	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Na+K"	61.952376
"253544"	606.257368	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+ACN+Na"	64.015768
"1228440"	335.136568	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+ACN+Na"	64.015768
"1719510"	335.160093	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+NH4+HCOOH"	64.039293
"1182679"	113.362818	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+3Na"	68.967654
"1656215"	340.115488	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Na+HCOOH"	68.994688
"162715"	619.16064	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+2K-H"	76.91904
"603367"	890.28144	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+2K-H"	76.91904
"1086427"	348.03984	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2K-H"	76.91904
"142149"	310.083958	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"2M+2K"	77.926316
"581949"	445.644358	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"3M+2K"	77.926316
"1070471"	174.523558	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2K"	77.926316
"1102343"	350.054392	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2K+H"	78.933592
"1336057"	350.142007	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+DMSO+H"	79.021207
"1007022"	354.181176	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2ACN+H"	83.060376
"1524192"	355.174808	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+IsoProp+Na+H"	84.054008
"990867"	177.594226	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+2ACN+2H"	84.067652
"1588163"	356.089428	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+K+HCOOH"	84.968628
"1415649"	386.120938	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+H+CF3COOH"	115.000138
"1159433"	198.107501	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+3ACN+2H"	125.094202
"1707892"	403.147485	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+NH4+CF3COOH"	132.026685
"1647917"	408.10288	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+Na+CF3COOH"	136.98208
"1581381"	424.07682	"C16703"	"N-Demethylnarwedine"	"C16H17NO3"	"271.1208"	"M+K+CF3COOH"	152.95602
"805188"	223.1208	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M"	0
"976531"	204.10241	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-H2O-H"	-19.01839
"65136"	147.739924	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M-3H"	-3.021828
"505430"	222.113524	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M-3H"	-3.021828
"895640"	73.366324	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-3H"	-3.021828
"10556"	222.113524	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M-2H"	-2.014552
"446834"	333.673924	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M-2H"	-2.014552
"826824"	110.553124	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-2H"	-2.014552
"86818"	445.234324	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M-H"	-1.007276
"524190"	668.355124	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M-H"	-1.007276
"908555"	222.113524	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-H"	-1.007276
"56370"	462.260871	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M-2H+NH4"	16.019271
"497027"	685.381671	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M-2H+NH4"	16.019271
"873733"	239.140071	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-2H+NH4"	16.019271
"44917"	467.216266	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M-2H+Na"	20.974666
"480105"	690.337066	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M-2H+Na"	20.974666
"856814"	244.095466	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-2H+Na"	20.974666
"1626347"	244.095466	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Na-2H"	20.974666
"99595"	240.101863	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M-H+Cl"	33.962126
"540250"	351.662263	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M-H+Cl"	33.962126
"933765"	128.541463	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-H+Cl"	33.962126
"269405"	481.211002	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+Cl"	34.969402
"669120"	704.331802	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+Cl"	34.969402
"1282619"	258.090202	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Cl"	34.969402
"26269"	483.190206	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M-2H+K"	36.948606
"461455"	706.311006	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M-2H+K"	36.948606
"845819"	260.069406	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-2H+K"	36.948606
"1566029"	260.069406	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+K-2H"	36.948606
"952454"	268.118994	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-H+HCOOH"	44.998194
"366658"	491.239801	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+HCOOH-H"	44.998201
"350542"	505.255451	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+Hac-H"	59.013851
"1498281"	282.134651	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Hac-H"	59.013851
"965823"	290.100951	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-H+NaCOOH"	66.980151
"119107"	258.090202	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+2Cl"	69.938804
"559757"	369.650602	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+2Cl"	69.938804
"1029653"	146.529802	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2Cl"	69.938804
"1251419"	302.039685	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Br"	78.918885
"1319333"	304.095672	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Cl+HCOOH"	80.974872
"1335091"	326.077629	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Cl+NaCOOH"	102.956829
"925704"	336.106386	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M-H+CF3COOH"	112.985586
"1303503"	372.083064	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Cl+CF3COOH"	148.962264
"1380205"	188.108124	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H-2H2O"	-35.012676
"1386042"	206.1181	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H-H2O"	-17.0027
"283905"	447.248876	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+H"	1.007276
"688717"	670.369676	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+H"	1.007276
"1364338"	224.128076	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H"	1.007276
"130666"	224.128076	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+2H"	2.014552
"572414"	335.688476	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+2H"	2.014552
"1042305"	112.567676	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2H"	2.014552
"210571"	149.754476	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+3H"	3.021828
"654142"	224.128076	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+3H"	3.021828
"1175550"	75.380876	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+3H"	3.021828
"437730"	464.275423	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+NH4"	18.033823
"797632"	687.396223	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+NH4"	18.033823
"1693232"	241.154623	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+NH4"	18.033823
"335311"	232.6413495	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+H+NH4"	19.041099
"732470"	344.2017495	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+H+NH4"	19.041099
"1485201"	121.0809495	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H+NH4"	19.041099
"398412"	469.230818	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+Na"	22.989218
"755885"	692.351618	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+Na"	22.989218
"1606411"	246.110018	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Na"	22.989218
"316455"	235.119047	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+H+Na"	23.996494
"708267"	346.679447	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+H+Na"	23.996494
"1474003"	123.558647	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H+Na"	23.996494
"1063602"	82.70819	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2H+Na"	25.00377
"1268563"	256.154286	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+CH3OH+H"	33.033486
"384949"	485.204758	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+K"	38.963158
"740475"	708.325558	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+K"	38.963158
"1541437"	262.083958	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+K"	38.963158
"301892"	243.106017	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+H+K"	39.970434
"698692"	354.666417	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+H+K"	39.970434
"1455794"	131.545617	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H+K"	39.970434
"249869"	488.275426	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+ACN+H"	42.033826
"1224399"	265.154626	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+ACN+H"	42.033826
"1207919"	133.080951	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+ACN+2H"	43.041102
"202613"	491.21276	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+2Na-H"	44.97116
"639984"	714.33356	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+2Na-H"	44.97116
"1145310"	268.09196	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2Na-H"	44.97116
"184591"	246.110018	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+2Na"	45.978436
"627433"	357.670418	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+2Na"	45.978436
"1124375"	134.549618	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2Na"	45.978436
"1412274"	90.035504	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H+2Na"	46.985712
"1442202"	270.133546	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H+HCOOH"	47.012746
"228618"	251.14304	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+3H2O+2H"	56.04448
"1515584"	284.18559	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+IsoProp+H"	61.06479
"416373"	254.096988	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+Na+K"	61.952376
"780649"	365.657388	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+Na+K"	61.952376
"1673696"	142.536588	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Na+K"	61.952376
"257299"	510.257368	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+ACN+Na"	64.015768
"1231101"	287.136568	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+ACN+Na"	64.015768
"1719622"	287.160093	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+NH4+HCOOH"	64.039293
"1188256"	97.362818	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+3Na"	68.967654
"1659242"	292.115488	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Na+HCOOH"	68.994688
"165011"	523.16064	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+2K-H"	76.91904
"605663"	746.28144	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+2K-H"	76.91904
"1088356"	300.03984	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2K-H"	76.91904
"145899"	262.083958	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"2M+2K"	77.926316
"588742"	373.644358	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"3M+2K"	77.926316
"1070699"	150.523558	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2K"	77.926316
"1104277"	302.054392	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2K+H"	78.933592
"1337261"	302.142007	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+DMSO+H"	79.021207
"1008104"	306.181176	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2ACN+H"	83.060376
"1525010"	307.174808	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+IsoProp+Na+H"	84.054008
"991949"	153.594226	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+2ACN+2H"	84.067652
"1588637"	308.089428	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+K+HCOOH"	84.968628
"1415759"	338.120938	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+H+CF3COOH"	115.000138
"1158450"	174.107501	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+3ACN+2H"	125.094202
"1708002"	355.147485	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+NH4+CF3COOH"	132.026685
"1648027"	360.10288	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+Na+CF3COOH"	136.98208
"1581491"	376.07682	"C16704"	"Anhalonidine"	"C12H17NO3"	"223.1208"	"M+K+CF3COOH"	152.95602
"802018"	237.1365	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M"	0
"974819"	218.11811	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-H2O-H"	-19.01839
"63113"	157.083724	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M-3H"	-3.021828
"502932"	236.129224	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M-3H"	-3.021828
"894279"	78.038224	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-3H"	-3.021828
"8480"	236.129224	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M-2H"	-2.014552
"445851"	354.697474	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M-2H"	-2.014552
"825841"	117.560974	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-2H"	-2.014552
"85835"	473.265724	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M-H"	-1.007276
"524300"	710.402224	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M-H"	-1.007276
"906479"	236.129224	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-H"	-1.007276
"55387"	490.292271	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M-2H+NH4"	16.019271
"497137"	727.428771	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M-2H+NH4"	16.019271
"873843"	253.155771	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-2H+NH4"	16.019271
"40652"	495.247666	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M-2H+Na"	20.974666
"481308"	732.384166	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M-2H+Na"	20.974666
"858017"	258.111166	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-2H+Na"	20.974666
"1625364"	258.111166	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Na-2H"	20.974666
"100797"	254.117563	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M-H+Cl"	33.962126
"540360"	372.685813	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M-H+Cl"	33.962126
"933875"	135.549313	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-H+Cl"	33.962126
"269151"	509.242402	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+Cl"	34.969402
"661329"	746.378902	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+Cl"	34.969402
"1283822"	272.105902	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Cl"	34.969402
"22004"	511.221606	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M-2H+K"	36.948606
"461565"	748.358106	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M-2H+K"	36.948606
"844835"	274.085106	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-2H+K"	36.948606
"1562859"	274.085106	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+K-2H"	36.948606
"950741"	282.134694	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-H+HCOOH"	44.998194
"366039"	519.271201	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+HCOOH-H"	44.998201
"349922"	533.286851	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+Hac-H"	59.013851
"1498755"	296.150351	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Hac-H"	59.013851
"965933"	304.116651	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-H+NaCOOH"	66.980151
"119216"	272.105902	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+2Cl"	69.938804
"562054"	390.674152	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+2Cl"	69.938804
"1030856"	153.537652	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2Cl"	69.938804
"1254809"	316.055385	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Br"	78.918885
"1315071"	318.111372	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Cl+HCOOH"	80.974872
"1334387"	340.093329	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Cl+NaCOOH"	102.956829
"925449"	350.122086	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M-H+CF3COOH"	112.985586
"1299242"	386.098764	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Cl+CF3COOH"	148.962264
"1380681"	202.123824	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H-2H2O"	-35.012676
"1389432"	220.1338	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H-H2O"	-17.0027
"291307"	475.280276	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+H"	1.007276
"687005"	712.416776	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+H"	1.007276
"1356794"	238.143776	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H"	1.007276
"128225"	238.143776	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+2H"	2.014552
"575804"	356.712026	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+2H"	2.014552
"1042780"	119.575526	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2H"	2.014552
"210683"	159.098276	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+3H"	3.021828
"654252"	238.143776	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+3H"	3.021828
"1172379"	80.052776	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+3H"	3.021828
"438205"	492.306823	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+NH4"	18.033823
"798470"	729.443323	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+NH4"	18.033823
"1689697"	255.170323	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+NH4"	18.033823
"339068"	246.6570495	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+H+NH4"	19.041099
"727841"	365.2252995	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+H+NH4"	19.041099
"1482756"	128.0887995	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H+NH4"	19.041099
"396698"	497.262218	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+Na"	22.989218
"755022"	734.398718	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+Na"	22.989218
"1605791"	260.125718	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Na"	22.989218
"315472"	249.134747	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+H+Na"	23.996494
"707889"	367.702997	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+H+Na"	23.996494
"1472655"	130.566497	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H+Na"	23.996494
"1063712"	87.38009	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2H+Na"	25.00377
"1269037"	270.169986	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+CH3OH+H"	33.033486
"385059"	513.236158	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+K"	38.963158
"739369"	750.372658	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+K"	38.963158
"1541911"	276.099658	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+K"	38.963158
"301273"	257.121717	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+H+K"	39.970434
"695522"	375.689967	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+H+K"	39.970434
"1453718"	138.553467	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H+K"	39.970434
"249250"	516.306826	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+ACN+H"	42.033826
"1222686"	279.170326	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+ACN+H"	42.033826
"1207299"	140.088801	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+ACN+2H"	43.041102
"200901"	519.24416	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+2Na-H"	44.97116
"641551"	756.38066	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+2Na-H"	44.97116
"1142504"	282.10766	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2Na-H"	44.97116
"181421"	260.125718	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+2Na"	45.978436
"622074"	378.693968	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+2Na"	45.978436
"1125578"	141.557468	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2Na"	45.978436
"1406916"	94.707404	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H+2Na"	46.985712
"1439032"	284.149246	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H+HCOOH"	47.012746
"233102"	265.15874	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+3H2O+2H"	56.04448
"1512414"	298.20129	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+IsoProp+H"	61.06479
"415390"	268.112688	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+Na+K"	61.952376
"777480"	386.680938	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+Na+K"	61.952376
"1673806"	149.544438	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Na+K"	61.952376
"258138"	538.288768	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+ACN+Na"	64.015768
"1231575"	301.152268	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+ACN+Na"	64.015768
"1720825"	301.175793	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+NH4+HCOOH"	64.039293
"1188366"	102.034718	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+3Na"	68.967654
"1658259"	306.131188	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Na+HCOOH"	68.994688
"164028"	551.19204	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+2K-H"	76.91904
"604679"	788.32854	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+2K-H"	76.91904
"1087738"	314.05554	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2K-H"	76.91904
"144916"	276.099658	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"2M+2K"	77.926316
"589945"	394.667908	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"3M+2K"	77.926316
"1069352"	157.531408	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2K"	77.926316
"1102200"	316.070092	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2K+H"	78.933592
"1338588"	316.157707	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+DMSO+H"	79.021207
"1007118"	320.196876	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2ACN+H"	83.060376
"1525608"	321.190508	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+IsoProp+Na+H"	84.054008
"992059"	160.602076	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+2ACN+2H"	84.067652
"1588018"	322.105128	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+K+HCOOH"	84.968628
"1416234"	352.136638	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+H+CF3COOH"	115.000138
"1158560"	181.115351	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+3ACN+2H"	125.094202
"1708112"	369.163185	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+NH4+CF3COOH"	132.026685
"1643762"	374.11858	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+Na+CF3COOH"	136.98208
"1581601"	390.09252	"C16705"	"Anhalonine;O-Methylanhalonidine"	"C13H19NO3"	"237.1365"	"M+K+CF3COOH"	152.95602
"811970"	150.0681	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M"	0
"978942"	131.04971	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"68278"	99.038124	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"511120"	149.060824	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"894390"	49.015424	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"12964"	149.060824	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"450338"	224.094874	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"824860"	74.026774	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"82666"	299.128924	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"528788"	449.197024	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"903309"	149.060824	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"57687"	316.155471	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"498341"	466.223571	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"868123"	166.087371	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"38579"	321.110866	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"472668"	471.178966	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"853751"	171.042766	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1619640"	171.042766	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"96900"	167.049163	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"540470"	242.083213	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"933985"	92.015113	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"272544"	335.105602	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"662777"	485.173702	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1282840"	185.037502	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"23210"	337.084806	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"463866"	487.152906	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"842762"	187.016706	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1561874"	187.016706	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"949758"	195.066294	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"367972"	345.134401	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"346138"	359.150051	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1495583"	209.081951	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"962762"	217.048251	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"114950"	185.037502	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"554512"	260.071552	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1030961"	110.003452	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1252728"	228.986985	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1315176"	231.042972	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1335229"	253.024929	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"923737"	263.053686	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1300445"	299.030364	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1380065"	115.055424	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1392823"	133.0654	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"293605"	301.143476	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"686023"	451.211576	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1354718"	151.075376	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"130887"	151.075376	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"575914"	226.109426	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1051640"	76.041326	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"215895"	101.052676	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"652175"	151.075376	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1176503"	51.029976	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"436860"	318.170023	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"797850"	468.238123	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1693816"	168.101923	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"339176"	159.5886495	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"730504"	234.6226995	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1482501"	84.5545995	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"398995"	323.125418	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"755618"	473.193518	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1603481"	173.057318	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"316675"	162.066347	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"707273"	237.100397	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1463639"	87.032297	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1053484"	58.35729	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1258199"	183.101586	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"377872"	339.099358	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"738631"	489.167458	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1540928"	189.031258	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"298911"	170.053317	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"700006"	245.087367	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1453828"	95.019267	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"249361"	342.170026	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1220610"	192.101926	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1206317"	96.554601	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"198095"	345.10736	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"642268"	495.17546	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1142613"	195.03926	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"181529"	173.057318	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"625463"	248.091368	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1126782"	98.023268	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1407026"	65.684604	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1442423"	197.080846	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"233578"	178.09034	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1512890"	211.13289	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"419513"	181.044288	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"780506"	256.078338	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1670640"	106.010238	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"261527"	364.151968	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1232050"	214.083868	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1723853"	214.107393	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1187384"	73.011918	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1660555"	219.062788	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"167417"	377.05524	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"606613"	527.12334	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1090762"	226.98714	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"147212"	189.031258	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"583497"	264.065308	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1070192"	113.997208	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1100608"	229.001692	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1338698"	229.089307	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1008327"	233.128476	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1527546"	234.122108	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"991077"	117.067876	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1589589"	235.036728	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1416344"	265.068238	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1160492"	137.581151	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1708222"	282.094785	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1644966"	287.05018	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1581711"	303.02412	"C16706"	"4-Hydroxydihydrocinnamaldehyde;3-(p-Hydroxyphenyl)propanal"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"810985"	373.1889	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M"	0
"982333"	354.17051	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-H2O-H"	-19.01839
"68388"	247.785324	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M-3H"	-3.021828
"511230"	372.181624	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M-3H"	-3.021828
"894628"	123.389024	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-3H"	-3.021828
"14168"	372.181624	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M-2H"	-2.014552
"453729"	558.776074	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M-2H"	-2.014552
"827156"	185.587174	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-2H"	-2.014552
"86055"	745.370524	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M-H"	-1.007276
"528897"	1118.559424	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M-H"	-1.007276
"901231"	372.181624	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-H"	-1.007276
"57798"	762.397071	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M-2H+NH4"	16.019271
"497361"	1135.585971	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M-2H+NH4"	16.019271
"870790"	389.208171	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-2H+NH4"	16.019271
"33584"	767.352466	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M-2H+Na"	20.974666
"471721"	1140.541366	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M-2H+Na"	20.974666
"849850"	394.163566	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-2H+Na"	20.974666
"1621939"	394.163566	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Na-2H"	20.974666
"94946"	390.169963	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M-H+Cl"	33.962126
"547994"	576.764413	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M-H+Cl"	33.962126
"940416"	203.575513	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-H+Cl"	33.962126
"271561"	781.347202	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+Cl"	34.969402
"660822"	1154.536102	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+Cl"	34.969402
"1281857"	408.158302	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Cl"	34.969402
"24413"	783.326406	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M-2H+K"	36.948606
"462882"	1156.515306	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M-2H+K"	36.948606
"842871"	410.137506	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-2H+K"	36.948606
"1563079"	410.137506	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+K-2H"	36.948606
"947682"	418.187094	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-H+HCOOH"	44.998194
"368083"	791.376001	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+HCOOH-H"	44.998201
"351967"	805.391651	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+Hac-H"	59.013851
"1496059"	432.202751	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Hac-H"	59.013851
"962873"	440.169051	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-H+NaCOOH"	66.980151
"112145"	408.158302	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+2Cl"	69.938804
"557901"	594.752752	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+2Cl"	69.938804
"1023782"	221.563852	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2Cl"	69.938804
"1253932"	452.107785	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Br"	78.918885
"1317476"	454.163772	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Cl+HCOOH"	80.974872
"1333516"	476.145729	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Cl+NaCOOH"	102.956829
"926032"	486.174486	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M-H+CF3COOH"	112.985586
"1301649"	522.151164	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Cl+CF3COOH"	148.962264
"1380904"	338.176224	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H-2H2O"	-35.012676
"1392935"	356.1862	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H-H2O"	-17.0027
"293714"	747.385076	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+H"	1.007276
"681761"	1120.573976	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+H"	1.007276
"1357017"	374.196176	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H"	1.007276
"135373"	374.196176	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+2H"	2.014552
"573837"	560.790626	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+2H"	2.014552
"1043365"	187.601726	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2H"	2.014552
"214911"	249.799876	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+3H"	3.021828
"657510"	374.196176	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+3H"	3.021828
"1177340"	125.403576	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+3H"	3.021828
"438550"	764.411623	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+NH4"	18.033823
"800147"	1137.600523	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+NH4"	18.033823
"1694291"	391.222723	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+NH4"	18.033823
"338194"	382.7094495	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+H+NH4"	19.041099
"733895"	569.3038995	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+H+NH4"	19.041099
"1482612"	196.1149995	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H+NH4"	19.041099
"398742"	769.367018	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+Na"	22.989218
"758645"	1142.555918	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+Na"	22.989218
"1604921"	396.178118	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Na"	22.989218
"315691"	385.187147	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+H+Na"	23.996494
"710294"	571.781597	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+H+Na"	23.996494
"1463141"	198.592697	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H+Na"	23.996494
"1053478"	132.73089	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2H+Na"	25.00377
"1258676"	406.222386	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+CH3OH+H"	33.033486
"379439"	785.340958	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+K"	38.963158
"739707"	1158.529858	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+K"	38.963158
"1540144"	412.152058	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+K"	38.963158
"298564"	393.174117	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+H+K"	39.970434
"700116"	579.768567	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+H+K"	39.970434
"1453939"	206.579667	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H+K"	39.970434
"249716"	788.411626	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+ACN+H"	42.033826
"1223518"	415.222726	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+ACN+H"	42.033826
"1207157"	208.115001	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+ACN+2H"	43.041102
"202338"	791.34896	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+2Na-H"	44.97116
"640680"	1164.53786	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+2Na-H"	44.97116
"1144549"	418.16006	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2Na-H"	44.97116
"179453"	396.178118	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+2Na"	45.978436
"626426"	582.772568	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+2Na"	45.978436
"1125799"	209.583668	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2Na"	45.978436
"1407136"	140.058204	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H+2Na"	46.985712
"1439253"	420.201646	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H+HCOOH"	47.012746
"230041"	401.21114	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+3H2O+2H"	56.04448
"1514821"	434.25369	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+IsoProp+H"	61.06479
"420351"	404.165088	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+Na+K"	61.952376
"780980"	590.759538	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+Na+K"	61.952376
"1670751"	217.570638	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Na+K"	61.952376
"259451"	810.393568	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+ACN+Na"	64.015768
"1236532"	437.204668	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+ACN+Na"	64.015768
"1723232"	437.228193	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+NH4+HCOOH"	64.039293
"1187856"	147.385518	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+3Na"	68.967654
"1658478"	442.183588	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Na+HCOOH"	68.994688
"166433"	823.29684	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+2K-H"	76.91904
"604902"	1196.48574	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+2K-H"	76.91904
"1089780"	450.10794	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2K-H"	76.91904
"145138"	412.152058	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"2M+2K"	77.926316
"582755"	598.746508	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"3M+2K"	77.926316
"1070304"	225.557608	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2K"	77.926316
"1101326"	452.122492	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2K+H"	78.933592
"1338079"	452.210107	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+DMSO+H"	79.021207
"1010626"	456.249276	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2ACN+H"	83.060376
"1528749"	457.242908	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+IsoProp+Na+H"	84.054008
"991551"	228.628276	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+2ACN+2H"	84.067652
"1590793"	458.157528	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+K+HCOOH"	84.968628
"1416089"	488.189038	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+H+CF3COOH"	115.000138
"1157686"	249.141551	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+3ACN+2H"	125.094202
"1708332"	505.215585	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+NH4+CF3COOH"	132.026685
"1645076"	510.17098	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+Na+CF3COOH"	136.98208
"1581821"	526.14492	"C16707"	"(S)-Autumnaline;Autumnaline"	"C21H27NO5"	"373.1889"	"M+K+CF3COOH"	152.95602
"808908"	371.1733	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M"	0
"976972"	352.15491	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-H2O-H"	-19.01839
"68498"	246.441590666667	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M-3H"	-3.021828
"504777"	370.166024	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M-3H"	-3.021828
"889142"	122.717157333333	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-3H"	-3.021828
"10998"	370.166024	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M-2H"	-2.014552
"447278"	555.752674	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M-2H"	-2.014552
"818029"	184.579374	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-2H"	-2.014552
"86165"	741.339324	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M-H"	-1.007276
"529007"	1112.512624	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M-H"	-1.007276
"901341"	370.166024	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-H"	-1.007276
"56815"	758.365871	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M-2H+NH4"	16.019271
"496376"	1129.539171	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M-2H+NH4"	16.019271
"871993"	387.192571	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-2H+NH4"	16.019271
"34422"	763.321266	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M-2H+Na"	20.974666
"472518"	1134.494566	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M-2H+Na"	20.974666
"850324"	392.147966	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-2H+Na"	20.974666
"1621321"	392.147966	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Na-2H"	20.974666
"94813"	388.154363	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M-H+Cl"	33.962126
"544702"	573.741013	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M-H+Cl"	33.962126
"937853"	202.567713	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-H+Cl"	33.962126
"271671"	777.316002	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+Cl"	34.969402
"660241"	1148.489302	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+Cl"	34.969402
"1283060"	406.142702	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Cl"	34.969402
"22336"	779.295206	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M-2H+K"	36.948606
"465179"	1150.468506	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M-2H+K"	36.948606
"840793"	408.121906	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-2H+K"	36.948606
"1562093"	408.121906	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+K-2H"	36.948606
"947790"	416.171494	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-H+HCOOH"	44.998194
"364910"	787.344801	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+HCOOH-H"	44.998201
"347702"	801.360451	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+Hac-H"	59.013851
"1495805"	430.187151	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Hac-H"	59.013851
"963347"	438.153451	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-H+NaCOOH"	66.980151
"112255"	406.142702	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+2Cl"	69.938804
"554731"	591.729352	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+2Cl"	69.938804
"1023160"	220.556052	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2Cl"	69.938804
"1246388"	450.092185	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Br"	78.918885
"1311025"	452.148172	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Cl+HCOOH"	80.974872
"1334354"	474.130129	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Cl+NaCOOH"	102.956829
"925778"	484.158886	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M-H+CF3COOH"	112.985586
"1300663"	520.135564	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Cl+CF3COOH"	148.962264
"1382592"	336.160624	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H-2H2O"	-35.012676
"1389765"	354.1706	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H-H2O"	-17.0027
"291637"	743.353876	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+H"	1.007276
"680777"	1114.527176	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+H"	1.007276
"1357127"	372.180576	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H"	1.007276
"128922"	372.180576	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+2H"	2.014552
"570667"	557.767226	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+2H"	2.014552
"1042016"	186.593926	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2H"	2.014552
"215021"	248.456142666667	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+3H"	3.021828
"656770"	372.180576	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+3H"	3.021828
"1175990"	124.731709333333	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+3H"	3.021828
"439386"	760.380423	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+NH4"	18.033823
"800134"	1131.553723	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+NH4"	18.033823
"1694401"	389.207123	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+NH4"	18.033823
"338305"	380.6938495	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+H+NH4"	19.041099
"732913"	566.2804995	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+H+NH4"	19.041099
"1481265"	195.1071995	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H+NH4"	19.041099
"396667"	765.335818	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+Na"	22.989218
"756569"	1136.509118	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+Na"	22.989218
"1603938"	394.162518	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Na"	22.989218
"316894"	383.171547	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+H+Na"	23.996494
"710769"	568.758197	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+H+Na"	23.996494
"1463252"	197.584897	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H+Na"	23.996494
"1053183"	132.059023333333	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2H+Na"	25.00377
"1259152"	404.206786	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+CH3OH+H"	33.033486
"380642"	781.309758	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+K"	38.963158
"739819"	1152.483058	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+K"	38.963158
"1540538"	410.136458	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+K"	38.963158
"299049"	391.158517	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+H+K"	39.970434
"698039"	576.745167	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+H+K"	39.970434
"1452955"	205.571867	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H+K"	39.970434
"250317"	784.380426	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+ACN+H"	42.033826
"1223020"	413.207126	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+ACN+H"	42.033826
"1206174"	207.107201	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+ACN+2H"	43.041102
"201597"	787.31776	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+2Na-H"	44.97116
"641154"	1158.49106	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+2Na-H"	44.97116
"1144780"	416.14446	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2Na-H"	44.97116
"178470"	394.162518	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+2Na"	45.978436
"626049"	579.749168	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+2Na"	45.978436
"1125909"	208.575868	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2Na"	45.978436
"1406153"	139.386337333333	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H+2Na"	46.985712
"1439363"	418.186046	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H+HCOOH"	47.012746
"230151"	399.19554	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+3H2O+2H"	56.04448
"1514932"	432.23809	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+IsoProp+H"	61.06479
"417909"	402.149488	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+Na+K"	61.952376
"776714"	587.736138	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+Na+K"	61.952376
"1673047"	216.562838	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Na+K"	61.952376
"258468"	806.362368	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+ACN+Na"	64.015768
"1233363"	435.189068	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+ACN+Na"	64.015768
"1721156"	435.212593	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+NH4+HCOOH"	64.039293
"1187966"	146.713651333333	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+3Na"	68.967654
"1659681"	440.167988	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Na+HCOOH"	68.994688
"166543"	819.26564	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+2K-H"	76.91904
"605012"	1190.43894	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+2K-H"	76.91904
"1089526"	448.09234	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2K-H"	76.91904
"146340"	410.136458	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"2M+2K"	77.926316
"584808"	595.723108	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"3M+2K"	77.926316
"1070414"	224.549808	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2K"	77.926316
"1102529"	450.106892	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2K+H"	78.933592
"1340011"	450.194507	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+DMSO+H"	79.021207
"1008549"	454.233676	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2ACN+H"	83.060376
"1528859"	455.227308	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+IsoProp+Na+H"	84.054008
"992390"	227.620476	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+2ACN+2H"	84.067652
"1590903"	456.141928	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+K+HCOOH"	84.968628
"1415106"	486.173438	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+H+CF3COOH"	115.000138
"1157796"	248.133751	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+3ACN+2H"	125.094202
"1708442"	503.199985	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+NH4+CF3COOH"	132.026685
"1647372"	508.15538	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+Na+CF3COOH"	136.98208
"1581931"	524.12932	"C16708"	"Isoandrocymbine"	"C21H25NO5"	"371.1733"	"M+K+CF3COOH"	152.95602
"809018"	385.1889	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M"	0
"979268"	366.17051	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-H2O-H"	-19.01839
"68608"	255.785324	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M-3H"	-3.021828
"505251"	384.181624	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M-3H"	-3.021828
"888159"	127.389024	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-3H"	-3.021828
"10014"	384.181624	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M-2H"	-2.014552
"443012"	576.776074	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M-2H"	-2.014552
"818627"	191.587174	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-2H"	-2.014552
"82264"	769.370524	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M-H"	-1.007276
"519392"	1154.559424	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M-H"	-1.007276
"901451"	384.181624	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-H"	-1.007276
"55829"	786.397071	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M-2H+NH4"	16.019271
"498673"	1171.585971	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M-2H+NH4"	16.019271
"877206"	401.208171	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-2H+NH4"	16.019271
"37817"	791.352466	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M-2H+Na"	20.974666
"474216"	1176.541366	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M-2H+Na"	20.974666
"851528"	406.163566	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-2H+Na"	20.974666
"1621431"	406.163566	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Na-2H"	20.974666
"101242"	402.169963	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M-H+Cl"	33.962126
"547729"	594.764413	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M-H+Cl"	33.962126
"938327"	209.575513	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-H+Cl"	33.962126
"277248"	805.347202	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+Cl"	34.969402
"661161"	1190.536102	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+Cl"	34.969402
"1284265"	420.158302	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Cl"	34.969402
"22446"	807.326406	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M-2H+K"	36.948606
"464194"	1192.515306	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M-2H+K"	36.948606
"837623"	422.137506	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-2H+K"	36.948606
"1564391"	422.137506	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+K-2H"	36.948606
"948993"	430.187094	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-H+HCOOH"	44.998194
"368302"	815.376001	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+HCOOH-H"	44.998201
"349998"	829.391651	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+Hac-H"	59.013851
"1497737"	444.202751	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Hac-H"	59.013851
"961996"	452.169051	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-H+NaCOOH"	66.980151
"111997"	420.158302	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+2Cl"	69.938804
"558120"	612.752752	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+2Cl"	69.938804
"1026919"	227.563852	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2Cl"	69.938804
"1246499"	464.107785	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Br"	78.918885
"1312229"	466.163772	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Cl+HCOOH"	80.974872
"1334100"	488.145729	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Cl+NaCOOH"	102.956829
"925522"	498.174486	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M-H+CF3COOH"	112.985586
"1300774"	534.151164	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Cl+CF3COOH"	148.962264
"1381121"	350.176224	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H-2H2O"	-35.012676
"1387688"	368.1862	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H-H2O"	-17.0027
"288466"	771.385076	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+H"	1.007276
"676876"	1156.573976	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+H"	1.007276
"1353955"	386.196176	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H"	1.007276
"127571"	386.196176	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+2H"	2.014552
"570412"	578.790626	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+2H"	2.014552
"1049052"	193.601726	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2H"	2.014552
"210756"	257.799876	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+3H"	3.021828
"653599"	386.196176	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+3H"	3.021828
"1171359"	129.403576	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+3H"	3.021828
"432811"	788.411623	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+NH4"	18.033823
"797087"	1173.600523	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+NH4"	18.033823
"1690136"	403.222723	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+NH4"	18.033823
"333310"	394.7094495	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+H+NH4"	19.041099
"726461"	587.3038995	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+H+NH4"	19.041099
"1479549"	202.1149995	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H+NH4"	19.041099
"395681"	793.367018	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+Na"	22.989218
"755340"	1178.555918	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+Na"	22.989218
"1603678"	408.178118	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Na"	22.989218
"315538"	397.187147	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+H+Na"	23.996494
"709783"	589.781597	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+H+Na"	23.996494
"1461543"	204.592697	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H+Na"	23.996494
"1053695"	136.73089	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2H+Na"	25.00377
"1257437"	418.222386	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+CH3OH+H"	33.033486
"377468"	809.340958	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+K"	38.963158
"739075"	1194.529858	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+K"	38.963158
"1540402"	424.152058	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+K"	38.963158
"299071"	405.174117	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+H+K"	39.970434
"691823"	597.768567	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+H+K"	39.970434
"1455251"	212.579667	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H+K"	39.970434
"251113"	812.411626	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+ACN+H"	42.033826
"1223130"	427.222726	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+ACN+H"	42.033826
"1207012"	214.115001	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+ACN+2H"	43.041102
"203412"	815.34896	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+2Na-H"	44.97116
"640536"	1200.53786	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+2Na-H"	44.97116
"1145982"	430.16006	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2Na-H"	44.97116
"178944"	408.178118	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+2Na"	45.978436
"626887"	600.772568	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+2Na"	45.978436
"1124925"	215.583668	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2Na"	45.978436
"1406263"	144.058204	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H+2Na"	46.985712
"1436192"	432.201646	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H+HCOOH"	47.012746
"229167"	413.21114	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+3H2O+2H"	56.04448
"1512856"	446.25369	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+IsoProp+H"	61.06479
"418019"	416.165088	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+Na+K"	61.952376
"776824"	608.759538	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+Na+K"	61.952376
"1669144"	223.570638	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Na+K"	61.952376
"258576"	834.393568	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+ACN+Na"	64.015768
"1231286"	449.204668	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+ACN+Na"	64.015768
"1723450"	449.228193	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+NH4+HCOOH"	64.039293
"1187712"	151.385518	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+3Na"	68.967654
"1659794"	454.183588	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Na+HCOOH"	68.994688
"164468"	847.29684	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+2K-H"	76.91904
"607307"	1232.48574	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+2K-H"	76.91904
"1092915"	462.10794	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2K-H"	76.91904
"144264"	424.152058	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"2M+2K"	77.926316
"583825"	616.746508	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"3M+2K"	77.926316
"1069915"	231.557608	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2K"	77.926316
"1101058"	464.122492	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2K+H"	78.933592
"1339028"	464.210107	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+DMSO+H"	79.021207
"1010846"	468.249276	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2ACN+H"	83.060376
"1527876"	469.242908	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+IsoProp+Na+H"	84.054008
"993229"	234.628276	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+2ACN+2H"	84.067652
"1592106"	470.157528	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+K+HCOOH"	84.968628
"1415581"	500.189038	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+H+CF3COOH"	115.000138
"1157906"	255.141551	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+3ACN+2H"	125.094202
"1710739"	517.215585	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+NH4+CF3COOH"	132.026685
"1647482"	522.17098	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+Na+CF3COOH"	136.98208
"1582041"	538.14492	"C16709"	"O-Methylandrocymbine"	"C22H27NO5"	"385.1889"	"M+K+CF3COOH"	152.95602
"809128"	399.1682	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M"	0
"980472"	380.14981	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-H2O-H"	-19.01839
"67619"	265.104857333333	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M-3H"	-3.021828
"508277"	398.160924	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M-3H"	-3.021828
"886076"	132.048790666667	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-3H"	-3.021828
"9031"	398.160924	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M-2H"	-2.014552
"447498"	597.745024	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M-2H"	-2.014552
"823112"	198.576824	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-2H"	-2.014552
"82375"	797.329124	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M-H"	-1.007276
"521206"	1196.497324	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M-H"	-1.007276
"901560"	398.160924	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-H"	-1.007276
"55939"	814.355671	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M-2H+NH4"	16.019271
"499876"	1213.523871	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M-2H+NH4"	16.019271
"878411"	415.187471	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-2H+NH4"	16.019271
"37926"	819.311066	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M-2H+Na"	20.974666
"478580"	1218.479266	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M-2H+Na"	20.974666
"854195"	420.142866	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-2H+Na"	20.974666
"1624822"	420.142866	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Na-2H"	20.974666
"98071"	416.149263	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M-H+Cl"	33.962126
"547839"	615.733363	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M-H+Cl"	33.962126
"938801"	216.565163	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-H+Cl"	33.962126
"276265"	833.305802	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+Cl"	34.969402
"667593"	1232.474002	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+Cl"	34.969402
"1284375"	434.137602	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Cl"	34.969402
"23649"	835.285006	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M-2H+K"	36.948606
"466490"	1234.453206	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M-2H+K"	36.948606
"844294"	436.116806	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-2H+K"	36.948606
"1564501"	436.116806	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+K-2H"	36.948606
"952384"	444.166394	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-H+HCOOH"	44.998194
"368412"	843.334601	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+HCOOH-H"	44.998201
"351202"	857.350251	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+Hac-H"	59.013851
"1496753"	458.182051	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Hac-H"	59.013851
"965388"	466.148351	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-H+NaCOOH"	66.980151
"115390"	434.137602	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+2Cl"	69.938804
"556044"	633.721702	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+2Cl"	69.938804
"1027029"	234.553502	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2Cl"	69.938804
"1253170"	478.087085	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Br"	78.918885
"1318537"	480.143072	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Cl+HCOOH"	80.974872
"1334209"	502.125029	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Cl+NaCOOH"	102.956829
"926000"	512.153786	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M-H+CF3COOH"	112.985586
"1303073"	548.130464	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Cl+CF3COOH"	148.962264
"1382492"	364.155524	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H-2H2O"	-35.012676
"1391078"	382.1655	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H-H2O"	-17.0027
"291858"	799.343676	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+H"	1.007276
"682091"	1198.511876	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+H"	1.007276
"1358441"	400.175476	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H"	1.007276
"135703"	400.175476	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+2H"	2.014552
"569430"	599.759576	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+2H"	2.014552
"1042969"	200.591376	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2H"	2.014552
"215243"	267.119409333333	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+3H"	3.021828
"648972"	400.175476	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+3H"	3.021828
"1168558"	134.063342666667	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+3H"	3.021828
"431829"	816.370223	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+NH4"	18.033823
"796105"	1215.538423	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+NH4"	18.033823
"1693529"	417.202023	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+NH4"	18.033823
"340713"	408.6887495	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+H+NH4"	19.041099
"730946"	608.2728495	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+H+NH4"	19.041099
"1483673"	209.1046495	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H+NH4"	19.041099
"397977"	821.325618	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+Na"	22.989218
"756789"	1220.493818	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+Na"	22.989218
"1604886"	422.157418	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Na"	22.989218
"315413"	411.166447	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+H+Na"	23.996494
"710631"	610.750547	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+H+Na"	23.996494
"1464085"	211.582347	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H+Na"	23.996494
"1054049"	141.390656666667	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2H+Na"	25.00377
"1259009"	432.201686	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+CH3OH+H"	33.033486
"379770"	837.299558	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+K"	38.963158
"741497"	1236.467758	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+K"	38.963158
"1541724"	438.131358	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+K"	38.963158
"299631"	419.153417	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+H+K"	39.970434
"693879"	618.737517	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+H+K"	39.970434
"1454268"	219.569317	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H+K"	39.970434
"248346"	840.370226	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+ACN+H"	42.033826
"1223240"	441.202026	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+ACN+H"	42.033826
"1209596"	221.104651	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+ACN+2H"	43.041102
"203645"	843.30756	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+2Na-H"	44.97116
"641740"	1242.47576	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+2Na-H"	44.97116
"1144150"	444.13936	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2Na-H"	44.97116
"188517"	422.157418	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+2Na"	45.978436
"624812"	621.741518	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+2Na"	45.978436
"1126131"	222.573318	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2Na"	45.978436
"1406374"	148.717970666667	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H+2Na"	46.985712
"1435211"	446.180946	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H+HCOOH"	47.012746
"228184"	427.19044	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+3H2O+2H"	56.04448
"1516246"	460.23299	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+IsoProp+H"	61.06479
"417034"	430.144388	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+Na+K"	61.952376
"776934"	629.728488	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+Na+K"	61.952376
"1669253"	230.560288	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Na+K"	61.952376
"257596"	862.352168	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+ACN+Na"	64.015768
"1232492"	463.183968	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+ACN+Na"	64.015768
"1719190"	463.207493	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+NH4+HCOOH"	64.039293
"1188915"	156.045284666667	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+3Na"	68.967654
"1660994"	468.162888	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Na+HCOOH"	68.994688
"170043"	875.25544	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+2K-H"	76.91904
"608146"	1274.42364	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+2K-H"	76.91904
"1093023"	476.08724	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2K-H"	76.91904
"143523"	438.131358	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"2M+2K"	77.926316
"584177"	637.715458	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"3M+2K"	77.926316
"1069049"	238.547258	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2K"	77.926316
"1101161"	478.101792	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2K+H"	78.933592
"1339138"	478.189407	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+DMSO+H"	79.021207
"1012049"	482.228576	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2ACN+H"	83.060376
"1529079"	483.222208	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+IsoProp+Na+H"	84.054008
"993339"	241.617926	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+2ACN+2H"	84.067652
"1590030"	484.136828	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+K+HCOOH"	84.968628
"1416055"	514.168338	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+H+CF3COOH"	115.000138
"1149263"	262.131201	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+3ACN+2H"	125.094202
"1699175"	531.194885	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+NH4+CF3COOH"	132.026685
"1636653"	536.15028	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+Na+CF3COOH"	136.98208
"1582151"	552.12422	"C16710"	"N-Formyldemecolcine"	"C22H25NO6"	"399.1682"	"M+K+CF3COOH"	152.95602
"802678"	357.1576	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M"	0
"976208"	338.13921	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-H2O-H"	-19.01839
"72110"	237.097790666667	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M-3H"	-3.021828
"506566"	356.150324	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M-3H"	-3.021828
"891662"	118.045257333333	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-3H"	-3.021828
"5862"	356.150324	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M-2H"	-2.014552
"447609"	534.729124	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M-2H"	-2.014552
"820306"	177.571524	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-2H"	-2.014552
"81388"	713.307924	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M-H"	-1.007276
"520222"	1070.465524	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M-H"	-1.007276
"900580"	356.150324	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-H"	-1.007276
"59334"	730.334471	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M-2H+NH4"	16.019271
"494520"	1087.492071	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M-2H+NH4"	16.019271
"873416"	373.176871	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-2H+NH4"	16.019271
"35117"	735.289866	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M-2H+Na"	20.974666
"474678"	1092.447466	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M-2H+Na"	20.974666
"849561"	378.132266	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-2H+Na"	20.974666
"1620193"	378.132266	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Na-2H"	20.974666
"96722"	374.138663	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M-H+Cl"	33.962126
"545396"	552.717463	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M-H+Cl"	33.962126
"938911"	195.559863	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-H+Cl"	33.962126
"274188"	749.284602	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+Cl"	34.969402
"669896"	1106.442202	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+Cl"	34.969402
"1279020"	392.127002	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Cl"	34.969402
"21574"	751.263806	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M-2H+K"	36.948606
"459675"	1108.421406	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M-2H+K"	36.948606
"841122"	394.106206	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-2H+K"	36.948606
"1561695"	394.106206	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+K-2H"	36.948606
"947389"	402.155794	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-H+HCOOH"	44.998194
"365605"	759.313401	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+HCOOH-H"	44.998201
"351310"	773.329051	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+Hac-H"	59.013851
"1496499"	416.171451	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Hac-H"	59.013851
"959418"	424.137751	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-H+NaCOOH"	66.980151
"111120"	392.127002	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+2Cl"	69.938804
"552507"	570.705802	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+2Cl"	69.938804
"1025317"	213.548202	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2Cl"	69.938804
"1249998"	436.076485	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Br"	78.918885
"1315726"	438.132472	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Cl+HCOOH"	80.974872
"1327757"	460.114429	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Cl+NaCOOH"	102.956829
"923190"	470.143186	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M-H+CF3COOH"	112.985586
"1300991"	506.119864	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Cl+CF3COOH"	148.962264
"1373691"	322.144924	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H-2H2O"	-35.012676
"1390094"	340.1549	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H-H2O"	-17.0027
"293061"	715.322476	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+H"	1.007276
"682201"	1072.480076	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+H"	1.007276
"1355271"	358.164876	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H"	1.007276
"129615"	358.164876	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+2H"	2.014552
"568814"	536.743676	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+2H"	2.014552
"1044174"	179.586076	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2H"	2.014552
"213166"	239.112342666667	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+3H"	3.021828
"650540"	358.164876	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+3H"	3.021828
"1167574"	120.059809333333	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+3H"	3.021828
"430846"	732.349023	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+NH4"	18.033823
"795120"	1089.506623	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+NH4"	18.033823
"1687076"	375.191423	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+NH4"	18.033823
"336448"	366.6781495	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+H+NH4"	19.041099
"726682"	545.2569495	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+H+NH4"	19.041099
"1481595"	188.0993495	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H+NH4"	19.041099
"394935"	737.304418	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+Na"	22.989218
"755810"	1094.462018	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+Na"	22.989218
"1604149"	380.146818	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Na"	22.989218
"316372"	369.155847	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+H+Na"	23.996494
"707700"	547.734647	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+H+Na"	23.996494
"1463465"	190.577047	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H+Na"	23.996494
"1055618"	127.387123333333	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2H+Na"	25.00377
"1259846"	390.191086	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+CH3OH+H"	33.033486
"379512"	753.278358	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+K"	38.963158
"741967"	1110.435958	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+K"	38.963158
"1540419"	396.120758	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+K"	38.963158
"298887"	377.142817	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+H+K"	39.970434
"700558"	555.721617	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+H+K"	39.970434
"1458761"	198.564017	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H+K"	39.970434
"246267"	756.349026	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+ACN+H"	42.033826
"1220067"	399.191426	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+ACN+H"	42.033826
"1207233"	200.099351	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+ACN+2H"	43.041102
"199008"	759.28636	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+2Na-H"	44.97116
"639659"	1116.44396	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+2Na-H"	44.97116
"1139883"	402.12876	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2Na-H"	44.97116
"176246"	380.146818	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+2Na"	45.978436
"619085"	558.725618	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+2Na"	45.978436
"1122227"	201.568018	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2Na"	45.978436
"1402111"	134.714437333333	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H+2Na"	46.985712
"1435317"	404.170346	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H+HCOOH"	47.012746
"225013"	385.17984	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+3H2O+2H"	56.04448
"1519650"	418.22239	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+IsoProp+H"	61.06479
"419334"	388.133788	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+Na+K"	61.952376
"780328"	566.712588	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+Na+K"	61.952376
"1673375"	209.554988	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Na+K"	61.952376
"256612"	778.330968	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+ACN+Na"	64.015768
"1232601"	421.173368	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+ACN+Na"	64.015768
"1720391"	421.196893	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+NH4+HCOOH"	64.039293
"1186839"	142.041751333333	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+3Na"	68.967654
"1661106"	426.152288	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Na+HCOOH"	68.994688
"166874"	791.23424	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+2K-H"	76.91904
"605342"	1148.39184	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+2K-H"	76.91904
"1086581"	434.07664	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2K-H"	76.91904
"143393"	396.120758	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"2M+2K"	77.926316
"581693"	574.699558	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"3M+2K"	77.926316
"1068835"	217.541958	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2K"	77.926316
"1103233"	436.091192	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2K+H"	78.933592
"1344727"	436.178807	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+DMSO+H"	79.021207
"1014347"	440.217976	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2ACN+H"	83.060376
"1529191"	441.211608	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+IsoProp+Na+H"	84.054008
"993450"	220.612626	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+2ACN+2H"	84.067652
"1591238"	442.126228	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+K+HCOOH"	84.968628
"1422369"	472.157738	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+H+CF3COOH"	115.000138
"1148401"	241.125901	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+3ACN+2H"	125.094202
"1701115"	489.184285	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+NH4+CF3COOH"	132.026685
"1649164"	494.13968	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+Na+CF3COOH"	136.98208
"1582262"	510.11362	"C16712"	"Deacetylcolchicine;Trimethylcolchicinic acid methyl ether"	"C20H23NO5"	"357.1576"	"M+K+CF3COOH"	152.95602
"803881"	371.1733	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M"	0
"976318"	352.15491	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-H2O-H"	-19.01839
"72220"	246.441590666667	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M-3H"	-3.021828
"506312"	370.166024	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M-3H"	-3.021828
"892866"	122.717157333333	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-3H"	-3.021828
"4881"	370.166024	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M-2H"	-2.014552
"448814"	555.752674	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M-2H"	-2.014552
"825520"	184.579374	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-2H"	-2.014552
"85512"	741.339324	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M-H"	-1.007276
"519967"	1112.512624	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M-H"	-1.007276
"898866"	370.166024	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-H"	-1.007276
"61026"	758.365871	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M-2H+NH4"	16.019271
"495724"	1129.539171	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M-2H+NH4"	16.019271
"874619"	387.192571	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-2H+NH4"	16.019271
"40334"	763.321266	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M-2H+Na"	20.974666
"476614"	1134.494566	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M-2H+Na"	20.974666
"854416"	392.147966	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-2H+Na"	20.974666
"1619938"	392.147966	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Na-2H"	20.974666
"101572"	388.154363	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M-H+Cl"	33.962126
"547694"	573.741013	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M-H+Cl"	33.962126
"939022"	202.567713	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-H+Cl"	33.962126
"274299"	777.316002	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+Cl"	34.969402
"670006"	1148.489302	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+Cl"	34.969402
"1280223"	406.142702	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Cl"	34.969402
"26059"	779.295206	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M-2H+K"	36.948606
"461244"	1150.468506	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M-2H+K"	36.948606
"839047"	408.121906	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-2H+K"	36.948606
"1563628"	408.121906	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+K-2H"	36.948606
"947137"	416.171494	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-H+HCOOH"	44.998194
"362799"	787.344801	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+HCOOH-H"	44.998201
"348507"	801.360451	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+Hac-H"	59.013851
"1495150"	430.187151	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Hac-H"	59.013851
"962692"	438.153451	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-H+NaCOOH"	66.980151
"110258"	406.142702	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+2Cl"	69.938804
"550105"	591.729352	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+2Cl"	69.938804
"1022874"	220.556052	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2Cl"	69.938804
"1251202"	450.092185	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Br"	78.918885
"1305995"	452.148172	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Cl+HCOOH"	80.974872
"1322399"	474.130129	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Cl+NaCOOH"	102.956829
"920020"	484.158886	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M-H+CF3COOH"	112.985586
"1301101"	520.135564	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Cl+CF3COOH"	148.962264
"1373800"	336.160624	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H-2H2O"	-35.012676
"1391298"	354.1706	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H-H2O"	-17.0027
"293171"	743.353876	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+H"	1.007276
"681218"	1114.527176	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+H"	1.007276
"1357569"	372.180576	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H"	1.007276
"129362"	372.180576	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+2H"	2.014552
"572204"	557.767226	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+2H"	2.014552
"1041003"	186.593926	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2H"	2.014552
"208903"	248.456142666667	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+3H"	3.021828
"650651"	372.180576	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+3H"	3.021828
"1173150"	124.731709333333	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+3H"	3.021828
"433143"	760.380423	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+NH4"	18.033823
"796324"	1131.553723	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+NH4"	18.033823
"1694841"	389.207123	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+NH4"	18.033823
"342026"	380.6938495	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+H+NH4"	19.041099
"734448"	566.2804995	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+H+NH4"	19.041099
"1490455"	195.1071995	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H+NH4"	19.041099
"396016"	765.335818	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+Na"	22.989218
"757013"	1136.509118	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+Na"	22.989218
"1603773"	394.162518	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Na"	22.989218
"314903"	383.171547	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+H+Na"	23.996494
"707806"	568.758197	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+H+Na"	23.996494
"1462602"	197.584897	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H+Na"	23.996494
"1056823"	132.059023333333	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2H+Na"	25.00377
"1259593"	404.206786	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+CH3OH+H"	33.033486
"378289"	781.309758	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+K"	38.963158
"740623"	1152.483058	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+K"	38.963158
"1543042"	410.136458	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+K"	38.963158
"303499"	391.158517	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+H+K"	39.970434
"698482"	576.745167	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+H+K"	39.970434
"1461191"	205.571867	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H+K"	39.970434
"248565"	784.380426	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+ACN+H"	42.033826
"1219084"	413.207126	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+ACN+H"	42.033826
"1208437"	207.107201	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+ACN+2H"	43.041102
"202401"	787.31776	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+2Na-H"	44.97116
"637586"	1158.49106	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+2Na-H"	44.97116
"1145097"	416.14446	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2Na-H"	44.97116
"185106"	394.162518	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+2Na"	45.978436
"625761"	579.749168	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+2Na"	45.978436
"1123067"	208.575868	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2Na"	45.978436
"1401130"	139.386337333333	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H+2Na"	46.985712
"1435428"	418.186046	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H+HCOOH"	47.012746
"223302"	399.19554	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+3H2O+2H"	56.04448
"1519760"	432.23809	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+IsoProp+H"	61.06479
"418351"	402.149488	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+Na+K"	61.952376
"779710"	587.736138	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+Na+K"	61.952376
"1674580"	216.562838	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Na+K"	61.952376
"257818"	806.362368	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+ACN+Na"	64.015768
"1231619"	435.189068	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+ACN+Na"	64.015768
"1718316"	435.212593	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+NH4+HCOOH"	64.039293
"1186949"	146.713651333333	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+3Na"	68.967654
"1658301"	440.167988	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Na+HCOOH"	68.994688
"166623"	819.26564	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+2K-H"	76.91904
"603632"	1190.43894	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+2K-H"	76.91904
"1085597"	448.09234	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2K-H"	76.91904
"144598"	410.136458	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"2M+2K"	77.926316
"583067"	595.723108	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"3M+2K"	77.926316
"1069395"	224.549808	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2K"	77.926316
"1104072"	450.106892	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2K+H"	78.933592
"1344837"	450.194507	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+DMSO+H"	79.021207
"1013365"	454.233676	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2ACN+H"	83.060376
"1532581"	455.227308	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+IsoProp+Na+H"	84.054008
"993561"	227.620476	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+2ACN+2H"	84.067652
"1591347"	456.141928	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+K+HCOOH"	84.968628
"1422479"	486.173438	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+H+CF3COOH"	115.000138
"1156048"	248.133751	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+3ACN+2H"	125.094202
"1703413"	503.199985	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+NH4+CF3COOH"	132.026685
"1636147"	508.15538	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+Na+CF3COOH"	136.98208
"1582372"	524.12932	"C16713"	"Floramultine"	"C21H25NO5"	"371.1733"	"M+K+CF3COOH"	152.95602
"812739"	385.1889	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M"	0
"976431"	366.17051	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-H2O-H"	-19.01839
"72330"	255.785324	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M-3H"	-3.021828
"506422"	384.181624	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M-3H"	-3.021828
"890790"	127.389024	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-3H"	-3.021828
"9364"	384.181624	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M-2H"	-2.014552
"451111"	576.776074	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M-2H"	-2.014552
"824537"	191.587174	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-2H"	-2.014552
"83434"	769.370524	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M-H"	-1.007276
"520077"	1154.559424	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M-H"	-1.007276
"900798"	384.181624	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-H"	-1.007276
"57368"	786.397071	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M-2H+NH4"	16.019271
"492554"	1171.585971	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M-2H+NH4"	16.019271
"871450"	401.208171	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-2H+NH4"	16.019271
"34976"	791.352466	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M-2H+Na"	20.974666
"476722"	1176.541366	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M-2H+Na"	20.974666
"850149"	406.163566	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-2H+Na"	20.974666
"1625153"	406.163566	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Na-2H"	20.974666
"108243"	402.169963	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M-H+Cl"	33.962126
"547803"	594.764413	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M-H+Cl"	33.962126
"939131"	209.575513	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-H+Cl"	33.962126
"274408"	805.347202	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+Cl"	34.969402
"667930"	1190.536102	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+Cl"	34.969402
"1278144"	420.158302	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Cl"	34.969402
"16690"	807.326406	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M-2H+K"	36.948606
"459166"	1192.515306	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M-2H+K"	36.948606
"833074"	422.137506	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-2H+K"	36.948606
"1555592"	422.137506	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+K-2H"	36.948606
"945058"	430.187094	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-H+HCOOH"	44.998194
"361935"	815.376001	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+HCOOH-H"	44.998201
"346427"	829.391651	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+Hac-H"	59.013851
"1495258"	444.202751	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Hac-H"	59.013851
"960249"	452.169051	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-H+NaCOOH"	66.980151
"110735"	420.158302	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+2Cl"	69.938804
"550779"	612.752752	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+2Cl"	69.938804
"1021370"	227.563852	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2Cl"	69.938804
"1241791"	464.107785	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Br"	78.918885
"1309384"	466.163772	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Cl+HCOOH"	80.974872
"1327976"	488.145729	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Cl+NaCOOH"	102.956829
"911696"	498.174486	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M-H+CF3COOH"	112.985586
"1291370"	534.151164	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Cl+CF3COOH"	148.962264
"1370993"	350.176224	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H-2H2O"	-35.012676
"1390312"	368.1862	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H-H2O"	-17.0027
"285625"	771.385076	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+H"	1.007276
"678775"	1156.573976	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+H"	1.007276
"1357677"	386.196176	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H"	1.007276
"128014"	386.196176	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+2H"	2.014552
"570127"	578.790626	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+2H"	2.014552
"1037586"	193.601726	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2H"	2.014552
"207920"	257.799876	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+3H"	3.021828
"647844"	386.196176	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+3H"	3.021828
"1167794"	129.403576	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+3H"	3.021828
"431065"	788.411623	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+NH4"	18.033823
"792059"	1173.600523	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+NH4"	18.033823
"1692762"	403.222723	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+NH4"	18.033823
"338854"	394.7094495	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+H+NH4"	19.041099
"734553"	587.3038995	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+H+NH4"	19.041099
"1487280"	202.1149995	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H+NH4"	19.041099
"398315"	793.367018	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+Na"	22.989218
"756392"	1178.555918	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+Na"	22.989218
"1607409"	408.178118	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Na"	22.989218
"318539"	397.187147	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+H+Na"	23.996494
"707308"	589.781597	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+H+Na"	23.996494
"1462589"	204.592697	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H+Na"	23.996494
"1056931"	136.73089	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2H+Na"	25.00377
"1259703"	418.222386	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+CH3OH+H"	33.033486
"378765"	809.340958	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+K"	38.963158
"741462"	1194.529858	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+K"	38.963158
"1540840"	424.152058	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+K"	38.963158
"300328"	405.174117	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+H+K"	39.970434
"699685"	597.768567	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+H+K"	39.970434
"1454606"	212.579667	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H+K"	39.970434
"246486"	812.411626	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+ACN+H"	42.033826
"1220287"	427.222726	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+ACN+H"	42.033826
"1208309"	214.115001	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+ACN+2H"	43.041102
"201418"	815.34896	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+2Na-H"	44.97116
"640612"	1200.53786	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+2Na-H"	44.97116
"1144479"	430.16006	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2Na-H"	44.97116
"180113"	408.178118	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+2Na"	45.978436
"622953"	600.772568	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+2Na"	45.978436
"1123177"	215.583668	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2Na"	45.978436
"1401604"	144.058204	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H+2Na"	46.985712
"1432988"	432.201646	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H+HCOOH"	47.012746
"224141"	413.21114	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+3H2O+2H"	56.04448
"1516590"	446.25369	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+IsoProp+H"	61.06479
"417368"	416.165088	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+Na+K"	61.952376
"778362"	608.759538	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+Na+K"	61.952376
"1675419"	223.570638	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Na+K"	61.952376
"254283"	834.393568	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+ACN+Na"	64.015768
"1232093"	449.204668	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+ACN+Na"	64.015768
"1719884"	449.228193	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+NH4+HCOOH"	64.039293
"1186694"	151.385518	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+3Na"	68.967654
"1656952"	454.183588	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Na+HCOOH"	68.994688
"166368"	847.29684	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+2K-H"	76.91904
"604470"	1232.48574	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+2K-H"	76.91904
"1085827"	462.10794	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2K-H"	76.91904
"142763"	424.152058	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"2M+2K"	77.926316
"584270"	616.746508	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"3M+2K"	77.926316
"1069627"	231.557608	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2K"	77.926316
"1103088"	464.122492	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2K+H"	78.933592
"1343851"	464.210107	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+DMSO+H"	79.021207
"1011285"	468.249276	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2ACN+H"	83.060376
"1528316"	469.242908	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+IsoProp+Na+H"	84.054008
"993671"	234.628276	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+2ACN+2H"	84.067652
"1590364"	470.157528	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+K+HCOOH"	84.968628
"1422589"	500.189038	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+H+CF3COOH"	115.000138
"1156158"	255.141551	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+3ACN+2H"	125.094202
"1703523"	517.215585	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+NH4+CF3COOH"	132.026685
"1636257"	522.17098	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+Na+CF3COOH"	136.98208
"1582482"	538.14492	"C16714"	"Kreysigine"	"C22H27NO5"	"385.1889"	"M+K+CF3COOH"	152.95602
"813943"	189.0426	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M"	0
"983101"	170.02421	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-H2O-H"	-19.01839
"68062"	125.021124	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M-3H"	-3.021828
"507625"	188.035324	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M-3H"	-3.021828
"888713"	62.006924	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-3H"	-3.021828
"9110"	188.035324	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M-2H"	-2.014552
"451221"	282.556624	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M-2H"	-2.014552
"824647"	93.514024	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-2H"	-2.014552
"82451"	377.077924	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M-H"	-1.007276
"523103"	566.120524	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M-H"	-1.007276
"902002"	188.035324	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-H"	-1.007276
"58208"	394.104471	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M-2H+NH4"	16.019271
"494851"	583.147071	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M-2H+NH4"	16.019271
"871560"	205.061871	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-2H+NH4"	16.019271
"36179"	399.059866	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M-2H+Na"	20.974666
"476832"	588.102466	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M-2H+Na"	20.974666
"850137"	210.017266	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-2H+Na"	20.974666
"1628543"	210.017266	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Na-2H"	20.974666
"108353"	206.023663	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M-H+Cl"	33.962126
"548764"	300.544963	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M-H+Cl"	33.962126
"940335"	111.502363	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-H+Cl"	33.962126
"273425"	413.054602	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+Cl"	34.969402
"669133"	602.097202	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+Cl"	34.969402
"1278256"	224.012002	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Cl"	34.969402
"21904"	415.033806	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M-2H+K"	36.948606
"460368"	604.076406	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M-2H+K"	36.948606
"835984"	225.991206	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-2H+K"	36.948606
"1558378"	225.991206	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+K-2H"	36.948606
"946262"	234.040794	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-H+HCOOH"	44.998194
"363383"	423.083401	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+HCOOH-H"	44.998201
"350547"	437.099051	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+Hac-H"	59.013851
"1494637"	248.056451	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Hac-H"	59.013851
"959994"	256.022751	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-H+NaCOOH"	66.980151
"111450"	224.012002	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+2Cl"	69.938804
"552105"	318.533302	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+2Cl"	69.938804
"1021509"	129.490702	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2Cl"	69.938804
"1241940"	267.961485	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Br"	78.918885
"1305242"	270.017472	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Cl+HCOOH"	80.974872
"1322617"	291.999429	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Cl+NaCOOH"	102.956829
"914041"	302.028186	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M-H+CF3COOH"	112.985586
"1291480"	338.004864	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Cl+CF3COOH"	148.962264
"1372925"	154.029924	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H-2H2O"	-35.012676
"1389327"	172.0399	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H-H2O"	-17.0027
"289015"	379.092476	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+H"	1.007276
"679249"	568.135076	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+H"	1.007276
"1357787"	190.049876	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H"	1.007276
"128854"	190.049876	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+2H"	2.014552
"573516"	284.571176	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+2H"	2.014552
"1038668"	95.528576	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2H"	2.014552
"209123"	127.035676	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+3H"	3.021828
"649777"	190.049876	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+3H"	3.021828
"1175558"	64.021476	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+3H"	3.021828
"428988"	396.119023	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+NH4"	18.033823
"795449"	585.161623	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+NH4"	18.033823
"1692508"	207.076423	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+NH4"	18.033823
"341879"	198.5631495	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+H+NH4"	19.041099
"734665"	293.0844495	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+H+NH4"	19.041099
"1485205"	104.0418495	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H+NH4"	19.041099
"398425"	401.074418	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+Na"	22.989218
"758690"	590.117018	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+Na"	22.989218
"1606424"	212.031818	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Na"	22.989218
"319741"	201.040847	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+H+Na"	23.996494
"707542"	295.562147	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+H+Na"	23.996494
"1463796"	106.519547	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H+Na"	23.996494
"1059228"	71.34879	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2H+Na"	25.00377
"1262000"	222.076086	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+CH3OH+H"	33.033486
"381669"	417.048358	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+K"	38.963158
"742666"	606.090958	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+K"	38.963158
"1541438"	228.005758	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+K"	38.963158
"301167"	209.027817	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+H+K"	39.970434
"699791"	303.549117	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+H+K"	39.970434
"1454716"	114.506517	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H+K"	39.970434
"245503"	420.119026	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+ACN+H"	42.033826
"1218208"	231.076426	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+ACN+H"	42.033826
"1204284"	116.041851	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+ACN+2H"	43.041102
"198246"	423.05636	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+2Na-H"	44.97116
"642420"	612.09896	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+2Na-H"	44.97116
"1140213"	234.01376	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2Na-H"	44.97116
"178035"	212.031818	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+2Na"	45.978436
"623062"	306.553118	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+2Na"	45.978436
"1121100"	117.510518	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2Na"	45.978436
"1407910"	78.676104	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H+2Na"	46.985712
"1434556"	236.055346	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H+HCOOH"	47.012746
"222428"	217.06484	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+3H2O+2H"	56.04448
"1518888"	250.10739	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+IsoProp+H"	61.06479
"415291"	220.018788	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+Na+K"	61.952376
"777744"	314.540088	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+Na+K"	61.952376
"1673707"	125.497488	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Na+K"	61.952376
"255121"	442.100968	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+ACN+Na"	64.015768
"1230381"	253.058368	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+ACN+Na"	64.015768
"1717442"	253.081893	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+NH4+HCOOH"	64.039293
"1186077"	86.003418	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+3Na"	68.967654
"1659615"	258.037288	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Na+HCOOH"	68.994688
"167205"	455.00424	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+2K-H"	76.91904
"604580"	644.04684	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+2K-H"	76.91904
"1085694"	265.96164	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2K-H"	76.91904
"142994"	228.005758	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"2M+2K"	77.926316
"583651"	322.527058	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"3M+2K"	77.926316
"1068721"	133.484458	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2K"	77.926316
"1104291"	267.976192	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2K+H"	78.933592
"1341776"	268.063807	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+DMSO+H"	79.021207
"1010302"	272.102976	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2ACN+H"	83.060376
"1529520"	273.096608	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+IsoProp+Na+H"	84.054008
"994874"	136.555126	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+2ACN+2H"	84.067652
"1592662"	274.011228	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+K+HCOOH"	84.968628
"1422699"	304.042738	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+H+CF3COOH"	115.000138
"1159548"	157.068401	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+3ACN+2H"	125.094202
"1703633"	321.069285	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+NH4+CF3COOH"	132.026685
"1638190"	326.02468	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+Na+CF3COOH"	136.98208
"1579311"	341.99862	"C16715"	"2-Oxo-12-dihydroquinoline-4-carboxylate"	"C10H7NO3"	"189.0426"	"M+K+CF3COOH"	152.95602
"812959"	161.0477	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M"	0
"979931"	142.02931	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H2O-H"	-19.01839
"68172"	106.357857333333	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-3H"	-3.021828
"507735"	160.040424	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-3H"	-3.021828
"887725"	52.6752906666667	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-3H"	-3.021828
"12864"	160.040424	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H"	-2.014552
"453517"	240.564274	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H"	-2.014552
"826943"	79.516574	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H"	-2.014552
"82561"	321.088124	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-H"	-1.007276
"520299"	482.135824	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-H"	-1.007276
"901019"	160.040424	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H"	-1.007276
"62084"	338.114671	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H+NH4"	16.019271
"497147"	499.162371	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H+NH4"	16.019271
"873856"	177.066971	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H+NH4"	16.019271
"39569"	343.070066	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H+Na"	20.974666
"476942"	504.117766	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H+Na"	20.974666
"851098"	182.022366	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H+Na"	20.974666
"1628653"	182.022366	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na-2H"	20.974666
"108099"	178.028763	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-H+Cl"	33.962126
"547659"	258.552613	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-H+Cl"	33.962126
"941175"	97.504913	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+Cl"	33.962126
"273535"	357.064802	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Cl"	34.969402
"668150"	518.112502	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+Cl"	34.969402
"1281647"	196.017102	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl"	34.969402
"23108"	359.044006	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M-2H+K"	36.948606
"462665"	520.091706	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M-2H+K"	36.948606
"837189"	197.996306	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-2H+K"	36.948606
"1561768"	197.996306	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K-2H"	36.948606
"947466"	206.045894	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+HCOOH"	44.998194
"363491"	367.093601	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+HCOOH-H"	44.998201
"351750"	381.109251	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Hac-H"	59.013851
"1494747"	220.061551	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Hac-H"	59.013851
"960466"	228.027851	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+NaCOOH"	66.980151
"111924"	196.017102	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2Cl"	69.938804
"551851"	276.540952	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2Cl"	69.938804
"1021781"	115.493252	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2Cl"	69.938804
"1242780"	239.966585	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Br"	78.918885
"1304988"	242.022572	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl+HCOOH"	80.974872
"1320214"	264.004529	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl+NaCOOH"	102.956829
"911963"	274.033286	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M-H+CF3COOH"	112.985586
"1289118"	310.009964	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Cl+CF3COOH"	148.962264
"1369752"	126.035024	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H-2H2O"	-35.012676
"1385427"	144.045	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H-H2O"	-17.0027
"289126"	323.102676	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H"	1.007276
"678631"	484.150376	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H"	1.007276
"1353888"	162.054976	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H"	1.007276
"127869"	162.054976	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2H"	2.014552
"571439"	242.578826	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2H"	2.014552
"1039509"	81.531126	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2H"	2.014552
"206681"	108.372409333333	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+3H"	3.021828
"646971"	162.054976	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+3H"	3.021828
"1169107"	54.6898426666667	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+3H"	3.021828
"427275"	340.129223	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+NH4"	18.033823
"793372"	501.176923	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+NH4"	18.033823
"1690795"	179.081523	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+NH4"	18.033823
"336886"	170.5682495	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H+NH4"	19.041099
"732589"	251.0920995	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H+NH4"	19.041099
"1485313"	90.0443995	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+NH4"	19.041099
"398528"	345.084618	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Na"	22.989218
"754267"	506.132318	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+Na"	22.989218
"1602868"	184.036918	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na"	22.989218
"317664"	173.045947	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H+Na"	23.996494
"707103"	253.569797	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H+Na"	23.996494
"1465364"	92.522097	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+Na"	23.996494
"1056422"	62.0171566666667	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2H+Na"	25.00377
"1260288"	194.081186	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+CH3OH+H"	33.033486
"379592"	361.058558	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+K"	38.963158
"739495"	522.106258	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+K"	38.963158
"1540367"	200.010858	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K"	38.963158
"299453"	181.032917	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+H+K"	39.970434
"693699"	261.556767	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+H+K"	39.970434
"1458105"	100.509067	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+K"	39.970434
"247799"	364.129226	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+ACN+H"	42.033826
"1219411"	203.081526	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+ACN+H"	42.033826
"1205486"	102.044401	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+ACN+2H"	43.041102
"201634"	367.06656	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2Na-H"	44.97116
"642651"	528.11426	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2Na-H"	44.97116
"1137771"	206.01886	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2Na-H"	44.97116
"177416"	184.036918	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2Na"	45.978436
"618434"	264.560768	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2Na"	45.978436
"1121211"	103.513068	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2Na"	45.978436
"1408020"	69.3444706666667	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+2Na"	46.985712
"1431264"	208.060446	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+HCOOH"	47.012746
"222174"	189.06994	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+3H2O+2H"	56.04448
"1518998"	222.11249	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+IsoProp+H"	61.06479
"417588"	192.023888	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+Na+K"	61.952376
"779675"	272.547738	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+Na+K"	61.952376
"1672724"	111.500038	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na+K"	61.952376
"254503"	386.111168	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+ACN+Na"	64.015768
"1229033"	225.063468	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+ACN+Na"	64.015768
"1715367"	225.086993	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+NH4+HCOOH"	64.039293
"1188010"	76.6717846666667	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+3Na"	68.967654
"1660090"	230.042388	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na+HCOOH"	68.994688
"166224"	399.01444	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2K-H"	76.91904
"604690"	560.06214	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2K-H"	76.91904
"1084952"	237.96674	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2K-H"	76.91904
"141556"	200.010858	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"2M+2K"	77.926316
"583153"	280.534708	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"3M+2K"	77.926316
"1068502"	119.487008	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2K"	77.926316
"1103308"	239.981292	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2K+H"	78.933592
"1339700"	240.068907	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+DMSO+H"	79.021207
"1011506"	244.108076	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2ACN+H"	83.060376
"1525617"	245.101708	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+IsoProp+Na+H"	84.054008
"992069"	122.557676	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+2ACN+2H"	84.067652
"1594959"	246.016328	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K+HCOOH"	84.968628
"1421716"	276.047838	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+H+CF3COOH"	115.000138
"1161847"	143.070951	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+3ACN+2H"	125.094202
"1703743"	293.074385	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+NH4+CF3COOH"	132.026685
"1636113"	298.02978	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+Na+CF3COOH"	136.98208
"1582702"	314.00372	"C16716"	"4-Hydroxy-2-quinolone;4-Hydroxy-2(1H)-quinolone;24-Dihydroxyquinoline"	"C9H7NO2"	"161.0477"	"M+K+CF3COOH"	152.95602
"804321"	488.2046	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M"	0
"976761"	469.18621	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-H2O-H"	-19.01839
"67189"	324.462457333333	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M-3H"	-3.021828
"507845"	487.197324	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M-3H"	-3.021828
"882365"	161.727590666667	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-3H"	-3.021828
"11881"	487.197324	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H"	-2.014552
"450347"	731.299624	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H"	-2.014552
"827053"	243.095024	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H"	-2.014552
"82671"	975.401924	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M-H"	-1.007276
"520408"	1463.606524	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M-H"	-1.007276
"900036"	487.197324	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-H"	-1.007276
"60979"	992.428471	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H+NH4"	16.019271
"497257"	1480.633071	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H+NH4"	16.019271
"868498"	504.223871	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H+NH4"	16.019271
"39679"	997.383866	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H+Na"	20.974666
"477052"	1485.588466	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H+Na"	20.974666
"854853"	509.179266	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H+Na"	20.974666
"1628763"	509.179266	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na-2H"	20.974666
"107480"	505.185663	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M-H+Cl"	33.962126
"545946"	749.287963	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M-H+Cl"	33.962126
"936181"	261.083363	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+Cl"	33.962126
"273645"	1011.378602	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Cl"	34.969402
"667165"	1499.583202	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+Cl"	34.969402
"1280661"	523.174002	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl"	34.969402
"23218"	1013.357806	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H+K"	36.948606
"461682"	1501.562406	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H+K"	36.948606
"837299"	525.153206	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H+K"	36.948606
"1558598"	525.153206	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+K-2H"	36.948606
"943685"	533.202794	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+HCOOH"	44.998194
"362509"	1021.407401	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+HCOOH-H"	44.998201
"350767"	1035.423051	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Hac-H"	59.013851
"1493034"	547.218451	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Hac-H"	59.013851
"959605"	555.184751	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+NaCOOH"	66.980151
"111306"	523.174002	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2Cl"	69.938804
"551596"	767.276302	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2Cl"	69.938804
"1021852"	279.071702	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2Cl"	69.938804
"1241412"	567.123485	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Br"	78.918885
"1306435"	569.179472	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl+HCOOH"	80.974872
"1320122"	591.161429	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl+NaCOOH"	102.956829
"911464"	601.190186	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+CF3COOH"	112.985586
"1290239"	637.166864	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl+CF3COOH"	148.962264
"1368038"	453.191924	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H-2H2O"	-35.012676
"1387361"	471.2019	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H-H2O"	-17.0027
"287049"	977.416476	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H"	1.007276
"679469"	1465.621076	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H"	1.007276
"1355820"	489.211876	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H"	1.007276
"130895"	489.211876	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2H"	2.014552
"571549"	733.314176	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2H"	2.014552
"1041808"	245.109576	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2H"	2.014552
"209343"	326.477009333333	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+3H"	3.021828
"647081"	489.211876	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+3H"	3.021828
"1167029"	163.742142666667	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+3H"	3.021828
"427020"	994.443023	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+NH4"	18.033823
"794575"	1482.647623	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+NH4"	18.033823
"1690906"	506.238423	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+NH4"	18.033823
"338090"	497.7251495	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H+NH4"	19.041099
"731606"	741.8274495	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H+NH4"	19.041099
"1485423"	253.6228495	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+NH4"	19.041099
"400824"	999.398418	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Na"	22.989218
"755982"	1487.603018	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+Na"	22.989218
"1603596"	511.193818	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na"	22.989218
"314977"	500.202847	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H+Na"	23.996494
"707156"	744.305147	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H+Na"	23.996494
"1462923"	256.100547	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+Na"	23.996494
"1053736"	171.069456666667	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2H+Na"	25.00377
"1259304"	521.238086	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+CH3OH+H"	33.033486
"378121"	1015.372358	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+K"	38.963158
"740334"	1503.576958	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+K"	38.963158
"1539942"	527.167758	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+K"	38.963158
"299928"	508.189817	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H+K"	39.970434
"692472"	752.292117	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H+K"	39.970434
"1458215"	264.087517	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+K"	39.970434
"246816"	1018.443026	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+ACN+H"	42.033826
"1219521"	530.238426	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+ACN+H"	42.033826
"1204501"	265.622851	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+ACN+2H"	43.041102
"199557"	1021.38036	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2Na-H"	44.97116
"639116"	1509.58496	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2Na-H"	44.97116
"1136059"	533.17576	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2Na-H"	44.97116
"176066"	511.193818	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2Na"	45.978436
"616723"	755.296118	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2Na"	45.978436
"1120590"	267.091518	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2Na"	45.978436
"1401197"	178.396770666667	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+2Na"	46.985712
"1432585"	535.217346	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+HCOOH"	47.012746
"222040"	516.22684	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+3H2O+2H"	56.04448
"1519834"	549.26939	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+IsoProp+H"	61.06479
"416604"	519.180788	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Na+K"	61.952376
"775410"	763.283088	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+Na+K"	61.952376
"1672834"	275.078488	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na+K"	61.952376
"253520"	1040.424968	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+ACN+Na"	64.015768
"1228411"	552.220368	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+ACN+Na"	64.015768
"1715477"	552.243893	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+NH4+HCOOH"	64.039293
"1184840"	185.724084666667	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+3Na"	68.967654
"1658376"	557.199288	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na+HCOOH"	68.994688
"163781"	1053.32824	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2K-H"	76.91904
"601521"	1541.53284	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2K-H"	76.91904
"1084407"	565.12364	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2K-H"	76.91904
"141625"	527.167758	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2K"	77.926316
"583507"	771.270058	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2K"	77.926316
"1068549"	283.065458	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2K"	77.926316
"1103418"	567.138192	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2K+H"	78.933592
"1339810"	567.225807	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+DMSO+H"	79.021207
"1011617"	571.264976	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2ACN+H"	83.060376
"1525727"	572.258608	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+IsoProp+Na+H"	84.054008
"992179"	286.136126	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+2ACN+2H"	84.067652
"1595069"	573.173228	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+K+HCOOH"	84.968628
"1424013"	603.204738	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+CF3COOH"	115.000138
"1159768"	306.649401	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+3ACN+2H"	125.094202
"1698384"	620.231285	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+NH4+CF3COOH"	132.026685
"1644971"	625.18668	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na+CF3COOH"	136.98208
"1582812"	641.16062	"C16717"	"Limonoate D-ring-lactone"	"C26H32O9"	"488.2046"	"M+K+CF3COOH"	152.95602
"803338"	488.2046	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M"	0
"979057"	469.18621	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-H2O-H"	-19.01839
"68392"	324.462457333333	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M-3H"	-3.021828
"506862"	487.197324	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M-3H"	-3.021828
"883568"	161.727590666667	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-3H"	-3.021828
"9805"	487.197324	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H"	-2.014552
"449364"	731.299624	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H"	-2.014552
"824977"	243.095024	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H"	-2.014552
"81688"	975.401924	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M-H"	-1.007276
"521247"	1463.606524	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M-H"	-1.007276
"900510"	487.197324	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-H"	-1.007276
"58903"	992.428471	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H+NH4"	16.019271
"497367"	1480.633071	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H+NH4"	16.019271
"868608"	504.223871	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H+NH4"	16.019271
"36509"	997.383866	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H+Na"	20.974666
"480442"	1485.588466	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H+Na"	20.974666
"858243"	509.179266	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H+Na"	20.974666
"1628873"	509.179266	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na-2H"	20.974666
"107590"	505.185663	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M-H+Cl"	33.962126
"544963"	749.287963	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M-H+Cl"	33.962126
"936291"	261.083363	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+Cl"	33.962126
"273755"	1011.378602	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Cl"	34.969402
"667275"	1499.583202	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+Cl"	34.969402
"1279678"	523.174002	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl"	34.969402
"22235"	1013.357806	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M-2H+K"	36.948606
"459605"	1501.562406	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M-2H+K"	36.948606
"837409"	525.153206	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-2H+K"	36.948606
"1558708"	525.153206	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+K-2H"	36.948606
"944038"	533.202794	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+HCOOH"	44.998194
"363347"	1021.407401	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+HCOOH-H"	44.998201
"350877"	1035.423051	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Hac-H"	59.013851
"1493183"	547.218451	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Hac-H"	59.013851
"960689"	555.184751	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+NaCOOH"	66.980151
"111781"	523.174002	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2Cl"	69.938804
"551342"	767.276302	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2Cl"	69.938804
"1021963"	279.071702	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2Cl"	69.938804
"1241544"	567.123485	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Br"	78.918885
"1306909"	569.179472	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl+HCOOH"	80.974872
"1327321"	591.161429	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl+NaCOOH"	102.956829
"912182"	601.190186	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M-H+CF3COOH"	112.985586
"1289336"	637.166864	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Cl+CF3COOH"	148.962264
"1369244"	453.191924	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H-2H2O"	-35.012676
"1388564"	471.2019	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H-H2O"	-17.0027
"290439"	977.416476	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H"	1.007276
"683954"	1465.621076	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H"	1.007276
"1358117"	489.211876	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H"	1.007276
"132099"	489.211876	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2H"	2.014552
"571660"	733.314176	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2H"	2.014552
"1040461"	245.109576	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2H"	2.014552
"211640"	326.477009333333	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+3H"	3.021828
"647921"	489.211876	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+3H"	3.021828
"1171512"	163.742142666667	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+3H"	3.021828
"428219"	994.443023	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+NH4"	18.033823
"794686"	1482.647623	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+NH4"	18.033823
"1691016"	506.238423	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+NH4"	18.033823
"340387"	497.7251495	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H+NH4"	19.041099
"733901"	741.8274495	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H+NH4"	19.041099
"1483349"	253.6228495	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+NH4"	19.041099
"402028"	999.398418	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Na"	22.989218
"755734"	1487.603018	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+Na"	22.989218
"1605653"	511.193818	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na"	22.989218
"314677"	500.202847	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H+Na"	23.996494
"708352"	744.305147	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H+Na"	23.996494
"1461816"	256.100547	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+Na"	23.996494
"1053727"	171.069456666667	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2H+Na"	25.00377
"1257166"	521.238086	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+CH3OH+H"	33.033486
"377371"	1015.372358	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+K"	38.963158
"738700"	1503.576958	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+K"	38.963158
"1540055"	527.167758	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+K"	38.963158
"298821"	508.189817	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+H+K"	39.970434
"691606"	752.292117	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+H+K"	39.970434
"1458325"	264.087517	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+K"	39.970434
"244739"	1018.443026	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+ACN+H"	42.033826
"1219631"	530.238426	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+ACN+H"	42.033826
"1204611"	265.622851	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+ACN+2H"	43.041102
"199667"	1021.38036	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2Na-H"	44.97116
"635946"	1509.58496	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2Na-H"	44.97116
"1136897"	533.17576	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2Na-H"	44.97116
"175083"	511.193818	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2Na"	45.978436
"616102"	755.296118	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2Na"	45.978436
"1119605"	267.091518	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2Na"	45.978436
"1400943"	178.396770666667	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+2Na"	46.985712
"1431362"	535.217346	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+HCOOH"	47.012746
"221664"	516.22684	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+3H2O+2H"	56.04448
"1519944"	549.26939	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+IsoProp+H"	61.06479
"415621"	519.180788	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+Na+K"	61.952376
"774426"	763.283088	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+Na+K"	61.952376
"1671850"	275.078488	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na+K"	61.952376
"252901"	1040.424968	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+ACN+Na"	64.015768
"1229980"	552.220368	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+ACN+Na"	64.015768
"1715952"	552.243893	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+NH4+HCOOH"	64.039293
"1185315"	185.724084666667	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+3Na"	68.967654
"1658487"	557.199288	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na+HCOOH"	68.994688
"167172"	1053.32824	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2K-H"	76.91904
"601629"	1541.53284	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2K-H"	76.91904
"1084441"	565.12364	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2K-H"	76.91904
"141695"	527.167758	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"2M+2K"	77.926316
"582401"	771.270058	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"3M+2K"	77.926316
"1068771"	283.065458	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2K"	77.926316
"1100722"	567.138192	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2K+H"	78.933592
"1341013"	567.225807	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+DMSO+H"	79.021207
"1011727"	571.264976	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2ACN+H"	83.060376
"1526567"	572.258608	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+IsoProp+Na+H"	84.054008
"994112"	286.136126	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+2ACN+2H"	84.067652
"1594086"	573.173228	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+K+HCOOH"	84.968628
"1423030"	603.204738	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+H+CF3COOH"	115.000138
"1157692"	306.649401	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+3ACN+2H"	125.094202
"1702867"	620.231285	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+NH4+CF3COOH"	132.026685
"1645081"	625.18668	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+Na+CF3COOH"	136.98208
"1582922"	641.16062	"C16718"	"Limonoate A-ring-lactone"	"C26H32O9"	"488.2046"	"M+K+CF3COOH"	152.95602
"803448"	151.0997	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M"	0
"976981"	132.08131	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-H2O-H"	-19.01839
"67409"	99.7258573333333	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M-3H"	-3.021828
"510252"	150.092424	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M-3H"	-3.021828
"885865"	49.3592906666667	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-3H"	-3.021828
"12101"	150.092424	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M-2H"	-2.014552
"450567"	225.642274	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M-2H"	-2.014552
"822900"	74.542574	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-2H"	-2.014552
"81798"	301.192124	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M-H"	-1.007276
"525731"	452.291824	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M-H"	-1.007276
"900256"	150.092424	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-H"	-1.007276
"59014"	318.218671	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M-2H+NH4"	16.019271
"497114"	469.318371	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M-2H+NH4"	16.019271
"869811"	167.118971	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-2H+NH4"	16.019271
"39899"	323.174066	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M-2H+Na"	20.974666
"480552"	474.273766	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M-2H+Na"	20.974666
"858353"	172.074366	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-2H+Na"	20.974666
"1628983"	172.074366	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Na-2H"	20.974666
"107340"	168.080763	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M-H+Cl"	33.962126
"546166"	243.630613	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M-H+Cl"	33.962126
"936401"	92.530913	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-H+Cl"	33.962126
"273865"	337.168802	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+Cl"	34.969402
"670301"	488.268502	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+Cl"	34.969402
"1277602"	186.069102	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Cl"	34.969402
"19065"	339.148006	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M-2H+K"	36.948606
"459715"	490.247706	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M-2H+K"	36.948606
"837516"	188.048306	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-2H+K"	36.948606
"1556995"	188.048306	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+K-2H"	36.948606
"944149"	196.097894	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-H+HCOOH"	44.998194
"363091"	347.197601	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+HCOOH-H"	44.998201
"348433"	361.213251	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+Hac-H"	59.013851
"1492888"	210.113551	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Hac-H"	59.013851
"960068"	218.079851	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-H+NaCOOH"	66.980151
"113351"	186.069102	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+2Cl"	69.938804
"550722"	261.618952	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+2Cl"	69.938804
"1023897"	110.519252	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2Cl"	69.938804
"1241653"	230.018585	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Br"	78.918885
"1307749"	232.074572	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Cl+HCOOH"	80.974872
"1324152"	254.056529	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Cl+NaCOOH"	102.956829
"913388"	264.085286	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M-H+CF3COOH"	112.985586
"1288876"	300.061964	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Cl+CF3COOH"	148.962264
"1375551"	116.087024	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H-2H2O"	-35.012676
"1390863"	134.097	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H-H2O"	-17.0027
"288363"	303.206676	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+H"	1.007276
"686251"	454.306376	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+H"	1.007276
"1362601"	152.106976	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H"	1.007276
"135489"	152.106976	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+2H"	2.014552
"573956"	227.656826	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+2H"	2.014552
"1043850"	76.557126	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2H"	2.014552
"211750"	101.740409333333	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+3H"	3.021828
"652405"	152.106976	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+3H"	3.021828
"1172714"	51.3738426666667	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+3H"	3.021828
"433801"	320.233223	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+NH4"	18.033823
"796983"	471.332923	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+NH4"	18.033823
"1691124"	169.133523	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+NH4"	18.033823
"341591"	160.6202495	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+H+NH4"	19.041099
"735104"	236.1700995	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+H+NH4"	19.041099
"1485644"	85.0703995	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H+NH4"	19.041099
"404324"	325.188618	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+Na"	22.989218
"754992"	476.288318	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+Na"	22.989218
"1606857"	174.088918	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Na"	22.989218
"315322"	163.097947	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+H+Na"	23.996494
"707741"	238.647797	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+H+Na"	23.996494
"1461917"	87.548097	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H+Na"	23.996494
"1053715"	58.7011566666667	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2H+Na"	25.00377
"1257416"	184.133186	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+CH3OH+H"	33.033486
"377725"	341.162558	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+K"	38.963158
"743107"	492.262258	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+K"	38.963158
"1540089"	190.062858	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+K"	38.963158
"299538"	171.084917	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+H+K"	39.970434
"692203"	246.634767	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+H+K"	39.970434
"1457343"	95.535067	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H+K"	39.970434
"248128"	344.233226	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+ACN+H"	42.033826
"1218647"	193.133526	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+ACN+H"	42.033826
"1204718"	97.070401	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+ACN+2H"	43.041102
"198683"	347.17056	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+2Na-H"	44.97116
"637149"	498.27026	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+2Na-H"	44.97116
"1136279"	196.07086	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2Na-H"	44.97116
"174099"	174.088918	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+2Na"	45.978436
"614754"	249.638768	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+2Na"	45.978436
"1118261"	98.539068	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2Na"	45.978436
"1399960"	66.0284706666667	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H+2Na"	46.985712
"1430987"	198.112446	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H+HCOOH"	47.012746
"221413"	179.12194	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+3H2O+2H"	56.04448
"1519690"	212.16449	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+IsoProp+H"	61.06479
"413541"	182.075888	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+Na+K"	61.952376
"775629"	257.625738	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+Na+K"	61.952376
"1671960"	106.526038	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Na+K"	61.952376
"253012"	366.215168	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+ACN+Na"	64.015768
"1228998"	215.115468	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+ACN+Na"	64.015768
"1715699"	215.138993	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+NH4+HCOOH"	64.039293
"1185426"	73.3557846666667	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+3Na"	68.967654
"1656411"	220.094388	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Na+HCOOH"	68.994688
"165460"	379.11844	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+2K-H"	76.91904
"609395"	530.21814	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+2K-H"	76.91904
"1084239"	228.01874	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2K-H"	76.91904
"141426"	190.062858	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"2M+2K"	77.926316
"581468"	265.612708	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"3M+2K"	77.926316
"1068673"	114.513008	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2K"	77.926316
"1100061"	230.033292	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2K+H"	78.933592
"1343310"	230.120907	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+DMSO+H"	79.021207
"1008921"	234.160076	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2ACN+H"	83.060376
"1526678"	235.153708	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+IsoProp+Na+H"	84.054008
"992033"	117.583676	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+2ACN+2H"	84.067652
"1592009"	236.068328	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+K+HCOOH"	84.968628
"1422044"	266.099838	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+H+CF3COOH"	115.000138
"1157800"	138.096951	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+3ACN+2H"	125.094202
"1700791"	283.126385	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+NH4+CF3COOH"	132.026685
"1639723"	288.08178	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+Na+CF3COOH"	136.98208
"1583032"	304.05572	"C16719"	"(-)-Norephedrine;l-Phenylpropanolamine"	"C9H13NO"	"151.0997"	"M+K+CF3COOH"	152.95602
"812308"	259.1208	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M"	0
"980372"	240.10241	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-H2O-H"	-19.01839
"76270"	171.739924	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M-3H"	-3.021828
"514738"	258.113524	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M-3H"	-3.021828
"889264"	85.366324	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-3H"	-3.021828
"10025"	258.113524	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M-2H"	-2.014552
"451770"	387.673924	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M-2H"	-2.014552
"824104"	128.553124	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-2H"	-2.014552
"83002"	517.234324	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M-H"	-1.007276
"523658"	776.355124	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M-H"	-1.007276
"904384"	258.113524	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-H"	-1.007276
"56934"	534.260871	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M-2H+NH4"	16.019271
"498682"	793.381671	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M-2H+NH4"	16.019271
"872109"	275.140071	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-2H+NH4"	16.019271
"40009"	539.216266	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M-2H+Na"	20.974666
"483943"	798.337066	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M-2H+Na"	20.974666
"860292"	280.095466	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-2H+Na"	20.974666
"1631281"	280.095466	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Na-2H"	20.974666
"107695"	276.101863	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M-H+Cl"	33.962126
"546647"	405.662263	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M-H+Cl"	33.962126
"936512"	146.541463	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-H+Cl"	33.962126
"271431"	553.211002	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+Cl"	34.969402
"667496"	812.331802	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+Cl"	34.969402
"1281722"	294.090202	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Cl"	34.969402
"22452"	555.190206	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M-2H+K"	36.948606
"460920"	814.311006	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M-2H+K"	36.948606
"838721"	296.069406	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-2H+K"	36.948606
"1560022"	296.069406	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+K-2H"	36.948606
"944622"	304.118994	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-H+HCOOH"	44.998194
"362471"	563.239801	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+HCOOH-H"	44.998201
"346067"	577.255451	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+Hac-H"	59.013851
"1494090"	318.134651	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Hac-H"	59.013851
"961271"	326.100951	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-H+NaCOOH"	66.980151
"113096"	294.090202	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+2Cl"	69.938804
"553749"	423.650602	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+2Cl"	69.938804
"1023272"	164.529802	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2Cl"	69.938804
"1242490"	338.039685	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Br"	78.918885
"1308222"	340.095672	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Cl+HCOOH"	80.974872
"1320015"	362.077629	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Cl+NaCOOH"	102.956829
"911710"	372.106386	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M-H+CF3COOH"	112.985586
"1288592"	408.083064	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Cl+CF3COOH"	148.962264
"1370920"	224.108124	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H-2H2O"	-35.012676
"1390970"	242.1181	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H-H2O"	-17.0027
"292846"	519.248876	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+H"	1.007276
"687454"	778.369676	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+H"	1.007276
"1361982"	260.128076	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H"	1.007276
"130132"	260.128076	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+2H"	2.014552
"575159"	389.688476	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+2H"	2.014552
"1043230"	130.567676	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2H"	2.014552
"214046"	173.754476	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+3H"	3.021828
"654701"	260.128076	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+3H"	3.021828
"1172823"	87.380876	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+3H"	3.021828
"433910"	536.275423	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+NH4"	18.033823
"798186"	795.396223	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+NH4"	18.033823
"1691965"	277.154623	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+NH4"	18.033823
"340609"	268.6413495	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+H+NH4"	19.041099
"730842"	398.2017495	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+H+NH4"	19.041099
"1482476"	139.0809495	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H+NH4"	19.041099
"394960"	541.230818	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+Na"	22.989218
"754292"	800.351618	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+Na"	22.989218
"1604420"	282.110018	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Na"	22.989218
"314572"	271.119047	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+H+Na"	23.996494
"707360"	400.679447	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+H+Na"	23.996494
"1461542"	141.558647	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H+Na"	23.996494
"1053087"	94.70819	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2H+Na"	25.00377
"1257237"	292.154286	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+CH3OH+H"	33.033486
"377310"	557.204758	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+K"	38.963158
"738834"	816.325558	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+K"	38.963158
"1540277"	298.083958	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+K"	38.963158
"300264"	279.106017	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+H+K"	39.970434
"706065"	408.666417	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+H+K"	39.970434
"1459641"	149.545617	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H+K"	39.970434
"248240"	560.275426	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+ACN+H"	42.033826
"1220948"	301.154626	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+ACN+H"	42.033826
"1205926"	151.080951	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+ACN+2H"	43.041102
"197700"	563.21276	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+2Na-H"	44.97116
"635072"	822.33356	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+2Na-H"	44.97116
"1138578"	304.09196	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2Na-H"	44.97116
"176400"	282.110018	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+2Na"	45.978436
"620332"	411.670418	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+2Na"	45.978436
"1116185"	152.549618	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2Na"	45.978436
"1407368"	102.035504	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H+2Na"	46.985712
"1432925"	306.133546	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H+HCOOH"	47.012746
"232469"	287.14304	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+3H2O+2H"	56.04448
"1519437"	320.18559	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+IsoProp+H"	61.06479
"415840"	290.096988	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+Na+K"	61.952376
"776833"	419.657388	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+Na+K"	61.952376
"1668790"	160.536588	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Na+K"	61.952376
"254213"	582.257368	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+ACN+Na"	64.015768
"1228016"	323.136568	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+ACN+Na"	64.015768
"1717993"	323.160093	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+NH4+HCOOH"	64.039293
"1184443"	109.362818	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+3Na"	68.967654
"1655427"	328.115488	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Na+HCOOH"	68.994688
"168851"	595.16064	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+2K-H"	76.91904
"601859"	854.28144	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+2K-H"	76.91904
"1084341"	336.03984	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2K-H"	76.91904
"147560"	298.083958	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"2M+2K"	77.926316
"584203"	427.644358	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"3M+2K"	77.926316
"1071630"	168.523558	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2K"	77.926316
"1111410"	338.054392	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2K+H"	78.933592
"1343419"	338.142007	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+DMSO+H"	79.021207
"1010852"	342.181176	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2ACN+H"	83.060376
"1526793"	343.174808	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+IsoProp+Na+H"	84.054008
"1004059"	171.594226	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+2ACN+2H"	84.067652
"1599778"	344.089428	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+K+HCOOH"	84.968628
"1427624"	374.120938	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+H+CF3COOH"	115.000138
"1161193"	192.107501	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+3ACN+2H"	125.094202
"1704183"	391.147485	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+NH4+CF3COOH"	132.026685
"1648831"	396.10288	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+Na+CF3COOH"	136.98208
"1583143"	412.07682	"C16721"	"Platydesmine"	"C15H17NO3"	"259.1208"	"M+K+CF3COOH"	152.95602
"810231"	512.1795	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M"	0
"988140"	493.16111	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-H2O-H"	-19.01839
"78129"	340.445724	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M-3H"	-3.021828
"507200"	511.172224	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M-3H"	-3.021828
"881721"	169.719224	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-3H"	-3.021828
"10135"	511.172224	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M-2H"	-2.014552
"451881"	767.261974	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M-2H"	-2.014552
"820934"	255.082474	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-2H"	-2.014552
"83116"	1023.351724	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M-H"	-1.007276
"524871"	1535.531224	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M-H"	-1.007276
"905954"	511.172224	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-H"	-1.007276
"58143"	1040.378271	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M-2H+NH4"	16.019271
"494421"	1552.557771	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M-2H+NH4"	16.019271
"868942"	528.198771	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-2H+NH4"	16.019271
"43401"	1045.333666	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M-2H+Na"	20.974666
"485155"	1557.513166	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M-2H+Na"	20.974666
"861137"	533.154166	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-2H+Na"	20.974666
"1631396"	533.154166	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Na-2H"	20.974666
"103552"	529.160563	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M-H+Cl"	33.962126
"546756"	785.250313	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M-H+Cl"	33.962126
"931526"	273.070813	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-H+Cl"	33.962126
"271175"	1059.328402	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+Cl"	34.969402
"664689"	1571.507902	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+Cl"	34.969402
"1274906"	547.148902	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Cl"	34.969402
"21835"	1061.307606	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M-2H+K"	36.948606
"459937"	1573.487106	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M-2H+K"	36.948606
"837009"	549.128106	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-2H+K"	36.948606
"1558674"	549.128106	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+K-2H"	36.948606
"945096"	557.177694	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-H+HCOOH"	44.998194
"364770"	1069.357201	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+HCOOH-H"	44.998201
"348289"	1083.372851	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+Hac-H"	59.013851
"1494931"	571.193351	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Hac-H"	59.013851
"960652"	579.159651	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-H+NaCOOH"	66.980151
"115394"	547.148902	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+2Cl"	69.938804
"553858"	803.238652	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+2Cl"	69.938804
"1025939"	291.059152	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2Cl"	69.938804
"1244789"	591.098385	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Br"	78.918885
"1307967"	593.154372	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Cl+HCOOH"	80.974872
"1320724"	615.136329	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Cl+NaCOOH"	102.956829
"911621"	625.165086	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M-H+CF3COOH"	112.985586
"1291046"	661.141764	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Cl+CF3COOH"	148.962264
"1367749"	477.166824	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H-2H2O"	-35.012676
"1389985"	495.1768	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H-H2O"	-17.0027
"291861"	1025.366276	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+H"	1.007276
"685376"	1537.545776	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+H"	1.007276
"1357356"	513.186776	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H"	1.007276
"135711"	513.186776	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+2H"	2.014552
"575270"	769.276526	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+2H"	2.014552
"1045164"	257.097026	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2H"	2.014552
"213063"	342.460276	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+3H"	3.021828
"656632"	513.186776	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+3H"	3.021828
"1175120"	171.733776	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+3H"	3.021828
"434019"	1042.392823	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+NH4"	18.033823
"793920"	1554.572323	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+NH4"	18.033823
"1691345"	530.213323	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+NH4"	18.033823
"339622"	521.7000495	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+H+NH4"	19.041099
"730950"	777.7897995	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+H+NH4"	19.041099
"1478212"	265.6102995	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H+NH4"	19.041099
"396164"	1047.348218	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+Na"	22.989218
"758983"	1559.527718	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+Na"	22.989218
"1605988"	535.168718	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Na"	22.989218
"317487"	524.177747	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+H+Na"	23.996494
"707471"	780.267497	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+H+Na"	23.996494
"1462393"	268.087997	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H+Na"	23.996494
"1053577"	179.06109	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2H+Na"	25.00377
"1257394"	545.212986	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+CH3OH+H"	33.033486
"378688"	1063.322158	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+K"	38.963158
"738743"	1575.501658	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+K"	38.963158
"1546482"	551.142658	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+K"	38.963158
"313155"	532.164717	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+H+K"	39.970434
"706061"	788.254467	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+H+K"	39.970434
"1460123"	276.074967	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H+K"	39.970434
"250179"	1066.392826	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+ACN+H"	42.033826
"1223985"	554.213326	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+ACN+H"	42.033826
"1206037"	277.610301	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+ACN+2H"	43.041102
"197810"	1069.33016	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+2Na-H"	44.97116
"632995"	1581.50966	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+2Na-H"	44.97116
"1137596"	557.15066	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2Na-H"	44.97116
"174688"	535.168718	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+2Na"	45.978436
"623729"	791.258468	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+2Na"	45.978436
"1125050"	279.078968	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2Na"	45.978436
"1410763"	186.388404	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H+2Na"	46.985712
"1441794"	559.192246	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H+HCOOH"	47.012746
"231485"	540.20174	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+3H2O+2H"	56.04448
"1517358"	573.24429	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+IsoProp+H"	61.06479
"413765"	543.155688	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+Na+K"	61.952376
"778040"	799.245438	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+Na+K"	61.952376
"1668902"	287.065938	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Na+K"	61.952376
"257608"	1088.374768	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+ACN+Na"	64.015768
"1227761"	576.195268	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+ACN+Na"	64.015768
"1718105"	576.218793	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+NH4+HCOOH"	64.039293
"1180541"	193.715718	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+3Na"	68.967654
"1656631"	581.174188	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Na+HCOOH"	68.994688
"158761"	1101.27804	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+2K-H"	76.91904
"599782"	1613.45754	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+2K-H"	76.91904
"1088672"	589.09854	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2K-H"	76.91904
"144394"	551.142658	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"2M+2K"	77.926316
"586139"	807.232408	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"3M+2K"	77.926316
"1075030"	295.052908	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2K"	77.926316
"1106054"	591.113092	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2K+H"	78.933592
"1340250"	591.200707	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+DMSO+H"	79.021207
"1008781"	595.239876	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2ACN+H"	83.060376
"1536751"	596.233508	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+IsoProp+Na+H"	84.054008
"1002838"	298.123576	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+2ACN+2H"	84.067652
"1596609"	597.148128	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+K+HCOOH"	84.968628
"1423364"	627.179638	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+H+CF3COOH"	115.000138
"1155838"	318.636851	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+3ACN+2H"	125.094202
"1706486"	644.206185	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+NH4+CF3COOH"	132.026685
"1645416"	649.16158	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+Na+CF3COOH"	136.98208
"1576693"	665.13552	"C16723"	"Pumiloside"	"C26H28N2O9"	"512.1795"	"M+K+CF3COOH"	152.95602
"810342"	498.2002	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M"	0
"982780"	479.18181	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-H2O-H"	-19.01839
"66648"	331.126190666667	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M-3H"	-3.021828
"504384"	497.192924	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M-3H"	-3.021828
"882193"	165.059457333333	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-3H"	-3.021828
"6965"	497.192924	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M-2H"	-2.014552
"451991"	746.293024	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M-2H"	-2.014552
"823231"	248.092824	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-2H"	-2.014552
"79699"	995.393124	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M-H"	-1.007276
"523887"	1493.593324	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M-H"	-1.007276
"898407"	497.192924	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-H"	-1.007276
"52785"	1012.419671	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M-2H+NH4"	16.019271
"488453"	1510.619871	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M-2H+NH4"	16.019271
"871235"	514.219471	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-2H+NH4"	16.019271
"35855"	1017.375066	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M-2H+Na"	20.974666
"480889"	1515.575266	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M-2H+Na"	20.974666
"855409"	519.174866	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-2H+Na"	20.974666
"1628223"	519.174866	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Na-2H"	20.974666
"102567"	515.181263	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M-H+Cl"	33.962126
"546499"	764.281363	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M-H+Cl"	33.962126
"931272"	266.081163	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-H+Cl"	33.962126
"270191"	1031.369802	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+Cl"	34.969402
"661640"	1529.570002	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+Cl"	34.969402
"1273062"	533.169602	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Cl"	34.969402
"16592"	1033.349006	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M-2H+K"	36.948606
"457496"	1531.549206	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M-2H+K"	36.948606
"836755"	535.148806	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-2H+K"	36.948606
"1559149"	535.148806	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+K-2H"	36.948606
"945571"	543.198394	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-H+HCOOH"	44.998194
"365976"	1041.398601	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+HCOOH-H"	44.998201
"349492"	1055.414251	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+Hac-H"	59.013851
"1495041"	557.214051	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Hac-H"	59.013851
"962584"	565.180351	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-H+NaCOOH"	66.980151
"114773"	533.169602	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+2Cl"	69.938804
"552512"	782.269702	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+2Cl"	69.938804
"1024592"	284.069502	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2Cl"	69.938804
"1244170"	577.119085	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Br"	78.918885
"1308442"	579.175072	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Cl+HCOOH"	80.974872
"1321201"	601.157029	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Cl+NaCOOH"	102.956829
"913718"	611.185786	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M-H+CF3COOH"	112.985586
"1291886"	647.162464	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Cl+CF3COOH"	148.962264
"1370411"	463.187524	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H-2H2O"	-35.012676
"1387910"	481.1975	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H-H2O"	-17.0027
"290878"	997.407676	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+H"	1.007276
"686216"	1495.607876	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+H"	1.007276
"1357464"	499.207476	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H"	1.007276
"129623"	499.207476	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+2H"	2.014552
"571009"	748.307576	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+2H"	2.014552
"1040901"	250.107376	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2H"	2.014552
"210987"	333.140742666667	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+3H"	3.021828
"653827"	499.207476	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+3H"	3.021828
"1171951"	167.074009333333	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+3H"	3.021828
"433037"	1014.434223	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+NH4"	18.033823
"796222"	1512.634423	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+NH4"	18.033823
"1691454"	516.234023	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+NH4"	18.033823
"342650"	507.7207495	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+H+NH4"	19.041099
"732153"	756.8208495	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+H+NH4"	19.041099
"1483789"	258.6206495	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H+NH4"	19.041099
"399188"	1019.389618	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+Na"	22.989218
"760182"	1517.589818	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+Na"	22.989218
"1602814"	521.189418	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Na"	22.989218
"314922"	510.198447	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+H+Na"	23.996494
"707340"	759.298547	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+H+Na"	23.996494
"1463111"	261.098347	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H+Na"	23.996494
"1053809"	174.401323333333	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2H+Na"	25.00377
"1257915"	531.233686	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+CH3OH+H"	33.033486
"379892"	1035.363558	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+K"	38.963158
"738811"	1533.563758	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+K"	38.963158
"1546592"	537.163358	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+K"	38.963158
"313255"	518.185417	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+H+K"	39.970434
"705795"	767.285517	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+H+K"	39.970434
"1456577"	269.085317	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H+K"	39.970434
"250654"	1038.434226	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+ACN+H"	42.033826
"1225060"	540.234026	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+ACN+H"	42.033826
"1202867"	270.620651	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+ACN+2H"	43.041102
"195734"	1041.37156	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+2Na-H"	44.97116
"633470"	1539.57176	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+2Na-H"	44.97116
"1136612"	543.17136	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2Na-H"	44.97116
"176620"	521.189418	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+2Na"	45.978436
"620559"	770.289518	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+2Na"	45.978436
"1122973"	272.089318	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2Na"	45.978436
"1407593"	181.728637333333	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H+2Na"	46.985712
"1443362"	545.212946	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H+HCOOH"	47.012746
"230502"	526.22244	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+3H2O+2H"	56.04448
"1517468"	559.26499	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+IsoProp+H"	61.06479
"417155"	529.176388	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+Na+K"	61.952376
"775963"	778.276488	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+Na+K"	61.952376
"1671199"	280.076288	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Na+K"	61.952376
"256625"	1060.416168	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+ACN+Na"	64.015768
"1227629"	562.215968	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+ACN+Na"	64.015768
"1720403"	562.239493	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+NH4+HCOOH"	64.039293
"1179675"	189.055951333333	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+3Na"	68.967654
"1656743"	567.194888	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Na+HCOOH"	68.994688
"160692"	1073.31944	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+2K-H"	76.91904
"599891"	1571.51964	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+2K-H"	76.91904
"1089875"	575.11924	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2K-H"	76.91904
"144139"	537.163358	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"2M+2K"	77.926316
"587342"	786.263458	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"3M+2K"	77.926316
"1074046"	288.063258	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2K"	77.926316
"1106163"	577.133792	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2K+H"	78.933592
"1341453"	577.221407	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+DMSO+H"	79.021207
"1011077"	581.260576	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2ACN+H"	83.060376
"1536861"	582.254208	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+IsoProp+Na+H"	84.054008
"1001123"	291.133926	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+2ACN+2H"	84.067652
"1598905"	583.168828	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+K+HCOOH"	84.968628
"1423474"	613.200338	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+H+CF3COOH"	115.000138
"1157041"	311.647201	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+3ACN+2H"	125.094202
"1706595"	630.226885	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+NH4+CF3COOH"	132.026685
"1645526"	635.18228	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+Na+CF3COOH"	136.98208
"1576803"	651.15622	"C16724"	"Strictosamide"	"C26H30N2O8"	"498.2002"	"M+K+CF3COOH"	152.95602
"810452"	496.1846	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M"	0
"980703"	477.16621	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-H2O-H"	-19.01839
"70039"	329.782457333333	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M-3H"	-3.021828
"506319"	495.177324	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M-3H"	-3.021828
"885220"	164.387590666667	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-3H"	-3.021828
"11450"	495.177324	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M-2H"	-2.014552
"451009"	743.269624	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M-2H"	-2.014552
"830633"	247.085024	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-2H"	-2.014552
"79325"	991.361924	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M-H"	-1.007276
"527273"	1487.546524	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M-H"	-1.007276
"908355"	495.177324	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-H"	-1.007276
"51797"	1008.388471	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M-2H+NH4"	16.019271
"490266"	1504.573071	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M-2H+NH4"	16.019271
"868066"	512.203871	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-2H+NH4"	16.019271
"33411"	1013.343866	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M-2H+Na"	20.974666
"479906"	1509.528466	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M-2H+Na"	20.974666
"860624"	517.159266	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-2H+Na"	20.974666
"1628336"	517.159266	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Na-2H"	20.974666
"104863"	513.165663	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M-H+Cl"	33.962126
"541145"	761.257963	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M-H+Cl"	33.962126
"929559"	265.073363	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-H+Cl"	33.962126
"270302"	1027.338602	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+Cl"	34.969402
"663816"	1523.523202	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+Cl"	34.969402
"1273420"	531.154002	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Cl"	34.969402
"16828"	1029.317806	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M-2H+K"	36.948606
"459427"	1525.502406	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M-2H+K"	36.948606
"837229"	533.133206	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-2H+K"	36.948606
"1558895"	533.133206	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+K-2H"	36.948606
"944955"	541.182794	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-H+HCOOH"	44.998194
"364262"	1037.367401	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+HCOOH-H"	44.998201
"346807"	1051.383051	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+Hac-H"	59.013851
"1495154"	555.198451	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Hac-H"	59.013851
"961966"	563.164751	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-H+NaCOOH"	66.980151
"113789"	531.154002	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+2Cl"	69.938804
"555540"	779.246302	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+2Cl"	69.938804
"1025796"	283.061702	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2Cl"	69.938804
"1243915"	575.103485	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Br"	78.918885
"1307824"	577.159472	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Cl+HCOOH"	80.974872
"1323865"	599.141429	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Cl+NaCOOH"	102.956829
"911435"	609.170186	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M-H+CF3COOH"	112.985586
"1295644"	645.146864	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Cl+CF3COOH"	148.962264
"1371983"	461.171924	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H-2H2O"	-35.012676
"1390209"	479.1819	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H-H2O"	-17.0027
"292813"	993.376476	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+H"	1.007276
"683409"	1489.561076	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+H"	1.007276
"1359764"	497.191876	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H"	1.007276
"131558"	497.191876	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+2H"	2.014552
"570024"	745.284176	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+2H"	2.014552
"1046113"	249.099576	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2H"	2.014552
"213283"	331.797009333333	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+3H"	3.021828
"656123"	497.191876	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+3H"	3.021828
"1169873"	166.402142666667	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+3H"	3.021828
"432054"	1010.403023	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+NH4"	18.033823
"799612"	1506.587623	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+NH4"	18.033823
"1688285"	514.218423	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+NH4"	18.033823
"340937"	505.7051495	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+H+NH4"	19.041099
"731170"	753.7974495	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+H+NH4"	19.041099
"1484990"	257.6128495	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H+NH4"	19.041099
"397113"	1015.358418	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+Na"	22.989218
"762479"	1511.543018	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+Na"	22.989218
"1602963"	519.173818	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Na"	22.989218
"315277"	508.182847	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+H+Na"	23.996494
"707286"	756.275147	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+H+Na"	23.996494
"1462978"	260.090547	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H+Na"	23.996494
"1054769"	173.729456666667	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2H+Na"	25.00377
"1258025"	529.218086	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+CH3OH+H"	33.033486
"378545"	1031.332358	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+K"	38.963158
"739294"	1527.516958	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+K"	38.963158
"1548889"	535.147758	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+K"	38.963158
"311543"	516.169817	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+H+K"	39.970434
"705055"	764.262117	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+H+K"	39.970434
"1458873"	268.077517	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H+K"	39.970434
"250036"	1034.403026	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+ACN+H"	42.033826
"1224563"	538.218426	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+ACN+H"	42.033826
"1204069"	269.612851	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+ACN+2H"	43.041102
"196937"	1037.34036	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+2Na-H"	44.97116
"632123"	1533.52496	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+2Na-H"	44.97116
"1136722"	541.15576	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2Na-H"	44.97116
"178918"	519.173818	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+2Na"	45.978436
"623949"	767.266118	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+2Na"	45.978436
"1125270"	271.081518	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2Na"	45.978436
"1407703"	181.056770666667	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H+2Na"	46.985712
"1443836"	543.197346	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H+HCOOH"	47.012746
"234986"	524.20684	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+3H2O+2H"	56.04448
"1518672"	557.24939	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+IsoProp+H"	61.06479
"420548"	527.160788	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+Na+K"	61.952376
"780448"	775.253088	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+Na+K"	61.952376
"1673497"	279.068488	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Na+K"	61.952376
"257830"	1056.384968	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+ACN+Na"	64.015768
"1228347"	560.200368	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+ACN+Na"	64.015768
"1719419"	560.223893	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+NH4+HCOOH"	64.039293
"1179060"	188.384084666667	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+3Na"	68.967654
"1655760"	565.179288	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Na+HCOOH"	68.994688
"159468"	1069.28824	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+2K-H"	76.91904
"600361"	1565.47284	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+2K-H"	76.91904
"1092172"	573.10364	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2K-H"	76.91904
"144612"	535.147758	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"2M+2K"	77.926316
"583441"	783.240058	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"3M+2K"	77.926316
"1076343"	287.055458	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2K"	77.926316
"1101898"	575.118192	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2K+H"	78.933592
"1341563"	575.205807	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+DMSO+H"	79.021207
"1011187"	579.244976	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2ACN+H"	83.060376
"1536970"	580.238608	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+IsoProp+Na+H"	84.054008
"1002326"	290.126126	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+2ACN+2H"	84.067652
"1597922"	581.153228	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+K+HCOOH"	84.968628
"1425772"	611.184738	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+H+CF3COOH"	115.000138
"1159340"	310.639401	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+3ACN+2H"	125.094202
"1708892"	628.211285	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+NH4+CF3COOH"	132.026685
"1649281"	633.16668	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+Na+CF3COOH"	136.98208
"1576913"	649.14062	"C16725"	"Deoxypumiloside"	"C26H28N2O8"	"496.1846"	"M+K+CF3COOH"	152.95602
"804002"	292.1576	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M"	0
"984095"	273.13921	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H2O-H"	-19.01839
"75621"	193.764457333333	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-3H"	-3.021828
"505705"	291.150324	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-3H"	-3.021828
"891892"	96.3785906666667	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-3H"	-3.021828
"3903"	291.150324	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H"	-2.014552
"446017"	437.229124	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H"	-2.014552
"819079"	145.071524	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H"	-2.014552
"90009"	583.307924	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-H"	-1.007276
"528478"	875.465524	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-H"	-1.007276
"900817"	291.150324	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H"	-1.007276
"55193"	600.334471	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H+NH4"	16.019271
"499128"	892.492071	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H+NH4"	16.019271
"875836"	308.176871	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H+NH4"	16.019271
"39367"	605.289866	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H+Na"	20.974666
"475646"	897.447466	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H+Na"	20.974666
"854540"	313.132266	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H+Na"	20.974666
"1626258"	313.132266	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na-2H"	20.974666
"99507"	309.138663	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-H+Cl"	33.962126
"536882"	455.217463	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-H+Cl"	33.962126
"928939"	163.059863	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+Cl"	33.962126
"267857"	619.284602	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Cl"	34.969402
"661739"	911.442202	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+Cl"	34.969402
"1272996"	327.127002	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl"	34.969402
"16699"	621.263806	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H+K"	36.948606
"456257"	913.421406	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H+K"	36.948606
"833124"	329.106206	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H+K"	36.948606
"1557181"	329.106206	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K-2H"	36.948606
"944699"	337.155794	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+HCOOH"	44.998194
"362303"	629.313401	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+HCOOH-H"	44.998201
"346793"	643.329051	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Hac-H"	59.013851
"1493113"	351.171451	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Hac-H"	59.013851
"961347"	359.137751	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+NaCOOH"	66.980151
"112806"	327.127002	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2Cl"	69.938804
"552734"	473.205802	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2Cl"	69.938804
"1021893"	181.048202	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2Cl"	69.938804
"1247312"	371.076485	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Br"	78.918885
"1308302"	373.132472	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl+HCOOH"	80.974872
"1324706"	395.114429	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl+NaCOOH"	102.956829
"917953"	405.143186	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+CF3COOH"	112.985586
"1295756"	441.119864	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl+CF3COOH"	148.962264
"1375010"	257.144924	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H-2H2O"	-35.012676
"1390319"	275.1549	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H-H2O"	-17.0027
"291102"	585.322476	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H"	1.007276
"679150"	877.480076	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H"	1.007276
"1354039"	293.164876	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H"	1.007276
"131667"	293.164876	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2H"	2.014552
"573413"	439.243676	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2H"	2.014552
"1038566"	147.086076	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2H"	2.014552
"210112"	195.779009333333	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+3H"	3.021828
"648578"	293.164876	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+3H"	3.021828
"1165243"	98.3931426666667	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+3H"	3.021828
"439333"	602.349023	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+NH4"	18.033823
"800329"	894.506623	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+NH4"	18.033823
"1692769"	310.191423	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+NH4"	18.033823
"336673"	301.6781495	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H+NH4"	19.041099
"729097"	447.7569495	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H+NH4"	19.041099
"1482919"	155.5993495	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+NH4"	19.041099
"398317"	607.304418	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Na"	22.989218
"758219"	899.462018	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+Na"	22.989218
"1603528"	315.146818	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na"	22.989218
"315997"	304.155847	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H+Na"	23.996494
"709879"	450.234647	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H+Na"	23.996494
"1464795"	158.077047	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+Na"	23.996494
"1054759"	105.720456666667	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2H+Na"	25.00377
"1258626"	325.191086	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+CH3OH+H"	33.033486
"378656"	623.278358	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+K"	38.963158
"746949"	915.435958	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+K"	38.963158
"1543532"	331.120758	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K"	38.963158
"310557"	312.142817	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H+K"	39.970434
"704072"	458.221617	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H+K"	39.970434
"1459720"	166.064017	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+K"	39.970434
"249778"	626.349026	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+ACN+H"	42.033826
"1222486"	334.191426	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+ACN+H"	42.033826
"1203086"	167.599351	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+ACN+2H"	43.041102
"197050"	629.28636	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2Na-H"	44.97116
"636609"	921.44396	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2Na-H"	44.97116
"1133550"	337.12876	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2Na-H"	44.97116
"176845"	315.146818	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2Na"	45.978436
"625157"	461.225618	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2Na"	45.978436
"1128668"	169.068018	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2Na"	45.978436
"1411098"	113.047770666667	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+2Na"	46.985712
"1443580"	339.170346	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+HCOOH"	47.012746
"223794"	320.17984	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+3H2O+2H"	56.04448
"1511857"	353.22239	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+IsoProp+H"	61.06479
"417375"	323.133788	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Na+K"	61.952376
"781650"	469.212588	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+Na+K"	61.952376
"1673608"	177.054988	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na+K"	61.952376
"255024"	648.330968	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+ACN+Na"	64.015768
"1226636"	356.173368	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+ACN+Na"	64.015768
"1714793"	356.196893	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+NH4+HCOOH"	64.039293
"1180878"	120.375084666667	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+3Na"	68.967654
"1651861"	361.152288	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na+HCOOH"	68.994688
"159458"	661.23424	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2K-H"	76.91904
"600238"	953.39184	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2K-H"	76.91904
"1087909"	369.07664	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2K-H"	76.91904
"142901"	331.120758	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2K"	77.926316
"593037"	477.199558	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2K"	77.926316
"1078640"	185.041958	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2K"	77.926316
"1114409"	371.091192	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2K+H"	78.933592
"1350184"	371.178807	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+DMSO+H"	79.021207
"1020051"	375.217976	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2ACN+H"	83.060376
"1537087"	376.211608	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+IsoProp+Na+H"	84.054008
"1002443"	188.112626	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2ACN+2H"	84.067652
"1600590"	377.126228	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K+HCOOH"	84.968628
"1429682"	407.157738	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+CF3COOH"	115.000138
"1162761"	208.625901	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+3ACN+2H"	125.094202
"1706816"	424.184285	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+NH4+CF3COOH"	132.026685
"1647933"	429.13968	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na+CF3COOH"	136.98208
"1577023"	445.11362	"C16726"	"Cinchoninone;Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K+CF3COOH"	152.95602
"813952"	296.1889	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M"	0
"984205"	277.17051	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-H2O-H"	-19.01839
"75731"	196.451990666667	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M-3H"	-3.021828
"505452"	295.181624	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M-3H"	-3.021828
"892002"	97.7223573333333	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-3H"	-3.021828
"4014"	295.181624	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M-2H"	-2.014552
"445763"	443.276074	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M-2H"	-2.014552
"822469"	147.087174	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-2H"	-2.014552
"86839"	591.370524	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M-H"	-1.007276
"528588"	887.559424	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M-H"	-1.007276
"900927"	295.181624	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-H"	-1.007276
"56396"	608.397071	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M-2H+NH4"	16.019271
"498509"	904.585971	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M-2H+NH4"	16.019271
"874853"	312.208171	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-2H+NH4"	16.019271
"39477"	613.352466	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M-2H+Na"	20.974666
"474662"	909.541366	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M-2H+Na"	20.974666
"853557"	317.163566	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-2H+Na"	20.974666
"1623088"	317.163566	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Na-2H"	20.974666
"97430"	313.169963	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M-H+Cl"	33.962126
"536262"	461.264413	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M-H+Cl"	33.962126
"928319"	165.075513	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-H+Cl"	33.962126
"267723"	627.347202	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+Cl"	34.969402
"660021"	923.536102	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+Cl"	34.969402
"1273358"	331.158302	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Cl"	34.969402
"17902"	629.326406	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M-2H+K"	36.948606
"456202"	925.515306	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M-2H+K"	36.948606
"834532"	333.137506	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-2H+K"	36.948606
"1556927"	333.137506	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+K-2H"	36.948606
"943837"	341.187094	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-H+HCOOH"	44.998194
"361505"	637.376001	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+HCOOH-H"	44.998201
"345930"	651.391651	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+Hac-H"	59.013851
"1493058"	355.202751	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Hac-H"	59.013851
"959755"	363.169051	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-H+NaCOOH"	66.980151
"112551"	331.158302	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+2Cl"	69.938804
"552112"	479.252752	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+2Cl"	69.938804
"1024195"	183.063852	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2Cl"	69.938804
"1241542"	375.107785	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Br"	78.918885
"1304435"	377.163772	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Cl+HCOOH"	80.974872
"1323356"	399.145729	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Cl+NaCOOH"	102.956829
"913687"	409.174486	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M-H+CF3COOH"	112.985586
"1288929"	445.151164	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Cl+CF3COOH"	148.962264
"1368920"	261.176224	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H-2H2O"	-35.012676
"1385324"	279.1862	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H-H2O"	-17.0027
"291210"	593.385076	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+H"	1.007276
"678531"	889.573976	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+H"	1.007276
"1353421"	297.196176	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H"	1.007276
"128861"	297.196176	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+2H"	2.014552
"568056"	445.290626	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+2H"	2.014552
"1037823"	149.101726	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2H"	2.014552
"205847"	198.466542666667	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+3H"	3.021828
"644922"	297.196176	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+3H"	3.021828
"1166813"	99.7369093333333	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+3H"	3.021828
"438834"	610.411623	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+NH4"	18.033823
"801167"	906.600523	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+NH4"	18.033823
"1696689"	314.222723	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+NH4"	18.033823
"337877"	305.7094495	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+H+NH4"	19.041099
"730300"	453.8038995	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+H+NH4"	19.041099
"1485215"	157.6149995	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H+NH4"	19.041099
"399520"	615.367018	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+Na"	22.989218
"757236"	911.555918	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+Na"	22.989218
"1604852"	319.178118	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Na"	22.989218
"317565"	308.187147	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+H+Na"	23.996494
"708893"	456.281597	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+H+Na"	23.996494
"1463082"	160.092697	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H+Na"	23.996494
"1054013"	107.064223333333	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2H+Na"	25.00377
"1259829"	329.222386	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+CH3OH+H"	33.033486
"380223"	631.340958	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+K"	38.963158
"743775"	927.529858	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+K"	38.963158
"1543642"	335.152058	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+K"	38.963158
"306290"	316.174117	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+H+K"	39.970434
"697615"	464.268567	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+H+K"	39.970434
"1455814"	168.079667	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H+K"	39.970434
"248431"	634.411626	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+ACN+H"	42.033826
"1219315"	338.222726	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+ACN+H"	42.033826
"1203195"	169.615001	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+ACN+2H"	43.041102
"196066"	637.34896	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+2Na-H"	44.97116
"636719"	933.53786	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+2Na-H"	44.97116
"1134756"	341.16006	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2Na-H"	44.97116
"176955"	319.178118	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+2Na"	45.978436
"621988"	467.272568	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+2Na"	45.978436
"1125498"	171.083668	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2Na"	45.978436
"1406833"	114.391537333333	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H+2Na"	46.985712
"1436762"	343.201646	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H+HCOOH"	47.012746
"221717"	324.21114	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+3H2O+2H"	56.04448
"1509290"	357.25369	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+IsoProp+H"	61.06479
"408931"	327.165088	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+Na+K"	61.952376
"771790"	475.259538	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+Na+K"	61.952376
"1666542"	179.070638	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Na+K"	61.952376
"252943"	656.393568	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+ACN+Na"	64.015768
"1226382"	360.204668	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+ACN+Na"	64.015768
"1713442"	360.228193	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+NH4+HCOOH"	64.039293
"1180258"	121.718851333333	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+3Na"	68.967654
"1651242"	365.183588	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Na+HCOOH"	68.994688
"159564"	669.29684	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+2K-H"	76.91904
"601320"	965.48574	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+2K-H"	76.91904
"1085831"	373.10794	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2K-H"	76.91904
"144104"	335.152058	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"2M+2K"	77.926316
"593147"	483.246508	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"3M+2K"	77.926316
"1078750"	187.057608	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2K"	77.926316
"1110874"	375.122492	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2K+H"	78.933592
"1348349"	375.210107	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+DMSO+H"	79.021207
"1019067"	379.249276	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2ACN+H"	83.060376
"1535740"	380.242908	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+IsoProp+Na+H"	84.054008
"1003403"	190.128276	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+2ACN+2H"	84.067652
"1591585"	381.157528	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+K+HCOOH"	84.968628
"1419432"	411.189038	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+H+CF3COOH"	115.000138
"1156282"	210.641551	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+3ACN+2H"	125.094202
"1704738"	428.215585	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+NH4+CF3COOH"	132.026685
"1649015"	433.17098	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+Na+CF3COOH"	136.98208
"1577133"	449.14492	"C16727"	"Cinchonamine"	"C19H24N2O"	"296.1889"	"M+K+CF3COOH"	152.95602
"816614"	322.1681	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M"	0
"988690"	303.14971	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-H2O-H"	-19.01839
"78027"	213.771457333333	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M-3H"	-3.021828
"507749"	321.160824	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M-3H"	-3.021828
"892112"	106.382090666667	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-3H"	-3.021828
"4124"	321.160824	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M-2H"	-2.014552
"445873"	482.244874	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M-2H"	-2.014552
"822579"	160.076774	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-2H"	-2.014552
"86949"	643.328924	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M-H"	-1.007276
"527605"	965.497024	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M-H"	-1.007276
"898850"	321.160824	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-H"	-1.007276
"56506"	660.355471	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M-2H+NH4"	16.019271
"498620"	982.523571	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M-2H+NH4"	16.019271
"875328"	338.187371	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-2H+NH4"	16.019271
"36670"	665.310866	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M-2H+Na"	20.974666
"471604"	987.478966	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M-2H+Na"	20.974666
"853667"	343.142766	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-2H+Na"	20.974666
"1624291"	343.142766	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Na-2H"	20.974666
"96446"	339.149163	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M-H+Cl"	33.962126
"534709"	500.233213	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M-H+Cl"	33.962126
"931710"	178.065113	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-H+Cl"	33.962126
"269901"	679.305602	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+Cl"	34.969402
"660538"	1001.473702	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+Cl"	34.969402
"1274726"	357.137502	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Cl"	34.969402
"16672"	681.284806	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M-2H+K"	36.948606
"455981"	1003.452906	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M-2H+K"	36.948606
"833912"	359.116706	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-2H+K"	36.948606
"1556670"	359.116706	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+K-2H"	36.948606
"946013"	367.166294	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-H+HCOOH"	44.998194
"362405"	689.334401	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+HCOOH-H"	44.998201
"346769"	703.350051	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+Hac-H"	59.013851
"1493414"	381.181951	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Hac-H"	59.013851
"961203"	389.148251	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-H+NaCOOH"	66.980151
"112661"	357.137502	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+2Cl"	69.938804
"552951"	518.221552	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+2Cl"	69.938804
"1022846"	196.053452	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2Cl"	69.938804
"1243884"	401.086985	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Br"	78.918885
"1304262"	403.142972	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Cl+HCOOH"	80.974872
"1320789"	425.124929	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Cl+NaCOOH"	102.956829
"911848"	435.153686	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M-H+CF3COOH"	112.985586
"1288800"	471.130364	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Cl+CF3COOH"	148.962264
"1367450"	287.155424	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H-2H2O"	-35.012676
"1384097"	305.1654	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H-H2O"	-17.0027
"285122"	645.343476	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+H"	1.007276
"677299"	967.511576	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+H"	1.007276
"1352798"	323.175376	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H"	1.007276
"126780"	323.175376	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+2H"	2.014552
"567069"	484.259426	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+2H"	2.014552
"1038785"	162.091326	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2H"	2.014552
"205590"	215.786009333333	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+3H"	3.021828
"646610"	323.175376	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+3H"	3.021828
"1164736"	108.396642666667	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+3H"	3.021828
"433476"	662.370023	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+NH4"	18.033823
"800304"	984.538123	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+NH4"	18.033823
"1694083"	340.201923	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+NH4"	18.033823
"337987"	331.6886495	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+H+NH4"	19.041099
"727129"	492.7726995	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+H+NH4"	19.041099
"1482045"	170.6045995	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H+NH4"	19.041099
"397077"	667.325418	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+Na"	22.989218
"757348"	989.493518	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+Na"	22.989218
"1604477"	345.157318	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Na"	22.989218
"319861"	334.166347	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+H+Na"	23.996494
"710098"	495.250397	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+H+Na"	23.996494
"1468296"	173.082297	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H+Na"	23.996494
"1053884"	115.723956666667	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2H+Na"	25.00377
"1264313"	355.201586	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+CH3OH+H"	33.033486
"379969"	683.299358	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+K"	38.963158
"746073"	1005.467458	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+K"	38.963158
"1547033"	361.131258	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+K"	38.963158
"306400"	342.153317	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+H+K"	39.970434
"699912"	503.237367	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+H+K"	39.970434
"1457017"	181.069267	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H+K"	39.970434
"243431"	686.370026	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+ACN+H"	42.033826
"1221611"	364.201926	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+ACN+H"	42.033826
"1204398"	182.604601	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+ACN+2H"	43.041102
"197269"	689.30736	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+2Na-H"	44.97116
"634642"	1011.47546	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+2Na-H"	44.97116
"1137053"	367.13926	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2Na-H"	44.97116
"173577"	345.157318	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+2Na"	45.978436
"621005"	506.241368	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+2Na"	45.978436
"1123419"	184.073268	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2Na"	45.978436
"1404757"	123.051270666667	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H+2Na"	46.985712
"1435050"	369.180846	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H+HCOOH"	47.012746
"225836"	350.19034	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+3H2O+2H"	56.04448
"1508912"	383.23289	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+IsoProp+H"	61.06479
"409086"	353.144288	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+Na+K"	61.952376
"770933"	514.228338	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+Na+K"	61.952376
"1667263"	192.060238	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Na+K"	61.952376
"251751"	708.351968	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+ACN+Na"	64.015768
"1226247"	386.183868	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+ACN+Na"	64.015768
"1713470"	386.207393	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+NH4+HCOOH"	64.039293
"1179106"	130.378584666667	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+3Na"	68.967654
"1650375"	391.162788	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Na+HCOOH"	68.994688
"159310"	721.25524	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+2K-H"	76.91904
"602523"	1043.42334	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+2K-H"	76.91904
"1085575"	399.08714	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2K-H"	76.91904
"143121"	361.131258	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"2M+2K"	77.926316
"589976"	522.215308	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"3M+2K"	77.926316
"1076673"	200.047208	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2K"	77.926316
"1110980"	401.101692	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2K+H"	78.933592
"1346272"	401.189307	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+DMSO+H"	79.021207
"1015894"	405.228476	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2ACN+H"	83.060376
"1532931"	406.222108	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+IsoProp+Na+H"	84.054008
"1001567"	203.117876	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+2ACN+2H"	84.067652
"1591695"	407.136728	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+K+HCOOH"	84.968628
"1425010"	437.168238	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+H+CF3COOH"	115.000138
"1156392"	223.631151	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+3ACN+2H"	125.094202
"1704848"	454.194785	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+NH4+CF3COOH"	132.026685
"1642686"	459.15018	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+Na+CF3COOH"	136.98208
"1573963"	475.12412	"C16728"	"Quinidinone"	"C20H22N2O2"	"322.1681"	"M+K+CF3COOH"	152.95602
"814178"	294.1732	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M"	0
"984432"	275.15481	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-H2O-H"	-19.01839
"77785"	195.108190666667	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M-3H"	-3.021828
"514428"	293.165924	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M-3H"	-3.021828
"890043"	97.0504573333333	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-3H"	-3.021828
"12992"	293.165924	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M-2H"	-2.014552
"453646"	440.252524	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M-2H"	-2.014552
"828168"	146.079324	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-2H"	-2.014552
"91442"	587.339124	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M-H"	-1.007276
"532099"	881.512324	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M-H"	-1.007276
"900058"	293.165924	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-H"	-1.007276
"54433"	604.365671	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M-2H+NH4"	16.019271
"489740"	898.538871	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M-2H+NH4"	16.019271
"865962"	310.192471	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-2H+NH4"	16.019271
"37507"	609.321066	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M-2H+Na"	20.974666
"472568"	903.494266	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M-2H+Na"	20.974666
"849521"	315.147866	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-2H+Na"	20.974666
"1621123"	315.147866	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Na-2H"	20.974666
"97289"	311.154263	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M-H+Cl"	33.962126
"540129"	458.240863	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M-H+Cl"	33.962126
"933280"	164.067663	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-H+Cl"	33.962126
"272565"	623.315802	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+Cl"	34.969402
"665714"	917.489002	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+Cl"	34.969402
"1278116"	329.142602	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Cl"	34.969402
"18120"	625.295006	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M-2H+K"	36.948606
"460960"	919.468206	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M-2H+K"	36.948606
"838033"	331.121806	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-2H+K"	36.948606
"1557148"	331.121806	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+K-2H"	36.948606
"945398"	339.171394	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-H+HCOOH"	44.998194
"367259"	633.344601	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+HCOOH-H"	44.998201
"352968"	647.360251	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+Hac-H"	59.013851
"1496334"	353.187051	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Hac-H"	59.013851
"963877"	361.153351	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-H+NaCOOH"	66.980151
"113880"	329.142602	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+2Cl"	69.938804
"558908"	476.229202	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+2Cl"	69.938804
"1029893"	182.056002	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2Cl"	69.938804
"1249471"	373.092085	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Br"	78.918885
"1309733"	375.148072	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Cl+HCOOH"	80.974872
"1326136"	397.130029	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Cl+NaCOOH"	102.956829
"913912"	407.158786	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M-H+CF3COOH"	112.985586
"1289889"	443.135464	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Cl+CF3COOH"	148.962264
"1367033"	259.160524	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H-2H2O"	-35.012676
"1382990"	277.1705	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H-H2O"	-17.0027
"283571"	589.353676	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+H"	1.007276
"676073"	883.526876	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+H"	1.007276
"1353278"	295.180476	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H"	1.007276
"126528"	295.180476	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+2H"	2.014552
"567914"	442.267076	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+2H"	2.014552
"1037806"	148.093876	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2H"	2.014552
"212634"	197.122742666667	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+3H"	3.021828
"651101"	295.180476	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+3H"	3.021828
"1171415"	99.0650093333334	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+3H"	3.021828
"431412"	606.380223	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+NH4"	18.033823
"791314"	900.553423	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+NH4"	18.033823
"1685454"	312.207023	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+NH4"	18.033823
"335920"	303.6937495	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+H+NH4"	19.041099
"729441"	450.7803495	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+H+NH4"	19.041099
"1487271"	156.6071495	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H+NH4"	19.041099
"408106"	611.335618	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+Na"	22.989218
"768779"	905.508818	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+Na"	22.989218
"1614329"	317.162418	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Na"	22.989218
"327647"	306.171447	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+H+Na"	23.996494
"718972"	453.258047	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+H+Na"	23.996494
"1474982"	159.084847	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H+Na"	23.996494
"1063853"	106.392323333333	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2H+Na"	25.00377
"1264437"	327.206686	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+CH3OH+H"	33.033486
"381920"	627.309558	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+K"	38.963158
"750570"	921.482758	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+K"	38.963158
"1552621"	333.136358	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+K"	38.963158
"310890"	314.158417	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+H+K"	39.970434
"703312"	461.245017	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+H+K"	39.970434
"1458226"	167.071817	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H+K"	39.970434
"245734"	630.380226	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+ACN+H"	42.033826
"1218448"	336.207026	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+ACN+H"	42.033826
"1199051"	168.607151	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+ACN+2H"	43.041102
"193379"	633.31756	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+2Na-H"	44.97116
"632571"	927.49076	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+2Na-H"	44.97116
"1132674"	339.14436	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2Na-H"	44.97116
"175722"	317.162418	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+2Na"	45.978436
"614674"	464.249018	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+2Na"	45.978436
"1118790"	170.075818	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2Na"	45.978436
"1405594"	113.719637333333	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H+2Na"	46.985712
"1430660"	341.185946	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H+HCOOH"	47.012746
"220519"	322.19544	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+3H2O+2H"	56.04448
"1510001"	355.23799	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+IsoProp+H"	61.06479
"410051"	325.149388	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+Na+K"	61.952376
"770350"	472.235988	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+Na+K"	61.952376
"1671758"	178.062788	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Na+K"	61.952376
"259374"	652.362168	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+ACN+Na"	64.015768
"1237188"	358.188968	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+ACN+Na"	64.015768
"1723158"	358.212493	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+NH4+HCOOH"	64.039293
"1190335"	121.046951333333	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+3Na"	68.967654
"1657317"	363.167888	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Na+HCOOH"	68.994688
"167455"	665.26544	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+2K-H"	76.91904
"598996"	959.43864	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+2K-H"	76.91904
"1085087"	371.09224	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2K-H"	76.91904
"142511"	333.136358	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"2M+2K"	77.926316
"583282"	480.222958	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"3M+2K"	77.926316
"1073513"	186.049758	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2K"	77.926316
"1100647"	373.106792	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2K+H"	78.933592
"1336543"	373.194407	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+DMSO+H"	79.021207
"1006411"	377.233576	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2ACN+H"	83.060376
"1525509"	378.227208	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+IsoProp+Na+H"	84.054008
"990254"	189.120426	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+2ACN+2H"	84.067652
"1588892"	379.141828	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+K+HCOOH"	84.968628
"1416372"	409.173338	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+H+CF3COOH"	115.000138
"1149941"	209.633701	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+3ACN+2H"	125.094202
"1698401"	426.199885	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+NH4+CF3COOH"	132.026685
"1635144"	431.15528	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+Na+CF3COOH"	136.98208
"1575172"	447.12922	"C16735"	"Corynantheal"	"C19H22N2O"	"294.1732"	"M+K+CF3COOH"	152.95602
"813201"	178.0477	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M"	0
"987825"	159.02931	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"72789"	117.691190666667	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"514538"	177.040424	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"889060"	58.3419573333333	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"10916"	177.040424	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"449384"	266.064274	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"823910"	88.016574	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"92527"	355.088124	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"523459"	533.135824	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"901263"	177.040424	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"56730"	372.114671	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"494102"	550.162371	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"866557"	194.066971	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"38712"	377.070066	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"472317"	555.117766	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"853160"	199.022366	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1619896"	199.022366	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"98492"	195.028763	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"539876"	284.052613	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"933027"	106.004913	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"279238"	391.064802	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"665462"	569.112502	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1282969"	213.017102	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"26616"	393.044006	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"462166"	571.091706	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"839604"	214.996306	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1559445"	214.996306	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"945511"	223.045894	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"364821"	401.093601	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"354173"	415.109251	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1497542"	237.061551	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"963987"	245.027851	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"116173"	213.017102	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"553547"	302.040952	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1027816"	123.993252	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1251768"	256.966585	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1308749"	259.022572	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1326244"	281.004529	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"922772"	291.033286	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1295105"	327.009964	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1368161"	143.035024	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1386023"	161.045	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"282850"	357.102676	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"678860"	535.150376	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1351473"	179.054976	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"126026"	179.054976	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"565797"	268.078826	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1037238"	90.031126	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"204328"	119.705742666667	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"652307"	179.054976	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1168248"	60.3565093333333	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"430428"	374.129223	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"788141"	552.176923	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1686661"	196.081523	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"344057"	187.5682495	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"731738"	276.5920995	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1492724"	98.5443995	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"407531"	379.084618	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"768527"	557.132318	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1616261"	201.036918	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"326663"	190.045947	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"719085"	279.069797	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1476186"	101.022097	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1066879"	67.6838233333333	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1269652"	211.081186	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"385310"	395.058558	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"746306"	573.106258	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1549453"	217.010858	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"306627"	198.032917	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"699048"	287.056767	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1458336"	109.009067	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"246941"	398.129226	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1215276"	220.081526	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1201345"	110.544401	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"196405"	401.06656	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"634872"	579.11426	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1140564"	223.01886	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"179480"	201.036918	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"616487"	290.060768	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1121086"	112.013068	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1404978"	75.0111373333333	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1433445"	225.060446	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"222048"	206.06994	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1509382"	239.11249	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"409797"	209.023888	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"771161"	298.047738	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1668589"	120.000038	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"255110"	420.111168	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1233287"	242.063468	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1724362"	242.086993	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1185343"	82.3384513333333	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1657423"	247.042388	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"163193"	433.01444	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"600562"	611.06214	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1090545"	254.96674	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"148455"	217.010858	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"592388"	306.034708	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1074715"	127.987008	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1107927"	256.981292	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1339936"	257.068907	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1008830"	261.108076	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1526228"	262.101708	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"990730"	131.057676	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1589001"	263.016328	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1416483"	293.047838	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1156612"	151.570951	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1698874"	310.074385	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1646193"	315.02978	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1577470"	331.00372	"C16737"	"5-Deoxy-D-glucuronate;5-Deoxy-D-glucuronic acid;5-Deoxy-D-xylo-hexuronic acid"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"810029"	162.1004	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M"	0
"984656"	143.08201	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H2O-H"	-19.01839
"75088"	107.059657333333	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-3H"	-3.021828
"514649"	161.093124	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-3H"	-3.021828
"890264"	53.0261906666667	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-3H"	-3.021828
"11030"	161.093124	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H"	-2.014552
"451682"	242.143324	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H"	-2.014552
"826203"	80.042924	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H"	-2.014552
"86197"	323.193524	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-H"	-1.007276
"522476"	485.293924	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-H"	-1.007276
"905744"	161.093124	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H"	-1.007276
"52465"	340.220071	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+NH4"	16.019271
"493117"	502.320471	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+NH4"	16.019271
"869827"	178.119671	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+NH4"	16.019271
"32381"	345.175466	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+Na"	20.974666
"475831"	507.275866	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+Na"	20.974666
"855095"	183.075066	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+Na"	20.974666
"1625720"	183.075066	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na-2H"	20.974666
"99697"	179.081463	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-H+Cl"	33.962126
"541810"	260.131663	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-H+Cl"	33.962126
"937512"	98.031263	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+Cl"	33.962126
"277162"	359.170202	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Cl"	34.969402
"672863"	521.270602	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Cl"	34.969402
"1286361"	197.069802	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl"	34.969402
"26728"	361.149406	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+K"	36.948606
"465193"	523.249806	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+K"	36.948606
"838621"	199.049006	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+K"	36.948606
"1561018"	199.049006	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K-2H"	36.948606
"948902"	207.098594	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+HCOOH"	44.998194
"364932"	369.199001	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+HCOOH-H"	44.998201
"349909"	383.214651	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Hac-H"	59.013851
"1497652"	221.114251	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Hac-H"	59.013851
"966287"	229.080551	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+NaCOOH"	66.980151
"118476"	197.069802	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Cl"	69.938804
"559130"	278.120002	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Cl"	69.938804
"1033396"	116.019602	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Cl"	69.938804
"1251882"	241.019285	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Br"	78.918885
"1312143"	243.075272	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+HCOOH"	80.974872
"1329638"	265.057229	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+NaCOOH"	102.956829
"920694"	275.085986	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+CF3COOH"	112.985586
"1296309"	311.062664	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+CF3COOH"	148.962264
"1372284"	127.087724	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H-2H2O"	-35.012676
"1388686"	145.0977	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H-H2O"	-17.0027
"286549"	325.208076	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H"	1.007276
"679700"	487.308476	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H"	1.007276
"1356050"	163.107676	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H"	1.007276
"127116"	163.107676	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2H"	2.014552
"566426"	244.157876	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2H"	2.014552
"1037900"	82.057476	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2H"	2.014552
"208482"	109.074209333333	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+3H"	3.021828
"645856"	163.107676	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+3H"	3.021828
"1163982"	55.0407426666667	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3H"	3.021828
"424450"	342.234623	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+NH4"	18.033823
"786172"	504.335023	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+NH4"	18.033823
"1681784"	180.134223	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4"	18.033823
"336146"	171.6209495	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+NH4"	19.041099
"732942"	252.6711495	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+NH4"	19.041099
"1491992"	90.5707495	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+NH4"	19.041099
"407757"	347.190018	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Na"	22.989218
"766808"	509.290418	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Na"	22.989218
"1614545"	185.089618	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na"	22.989218
"327864"	174.098647	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+Na"	23.996494
"719194"	255.148847	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+Na"	23.996494
"1475567"	93.048447	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+Na"	23.996494
"1066989"	62.3680566666667	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2H+Na"	25.00377
"1269762"	195.133886	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+CH3OH+H"	33.033486
"388701"	363.163958	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+K"	38.963158
"748603"	525.264358	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+K"	38.963158
"1548472"	201.063558	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K"	38.963158
"311115"	182.085617	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+K"	39.970434
"704629"	263.135817	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+K"	39.970434
"1457357"	101.035417	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+K"	39.970434
"245959"	366.234626	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+ACN+H"	42.033826
"1219761"	204.134226	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+H"	42.033826
"1204738"	102.570751	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+2H"	43.041102
"188979"	369.17196	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Na-H"	44.97116
"630241"	531.27236	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Na-H"	44.97116
"1131509"	207.07156	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Na-H"	44.97116
"177039"	185.089618	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Na"	45.978436
"616965"	266.139818	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Na"	45.978436
"1119377"	104.039418	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Na"	45.978436
"1398679"	69.6953706666667	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+2Na"	46.985712
"1430397"	209.113146	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+HCOOH"	47.012746
"224346"	190.12264	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+3H2O+2H"	56.04448
"1510949"	223.16519	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+H"	61.06479
"410270"	193.076588	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Na+K"	61.952376
"771995"	274.126788	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Na+K"	61.952376
"1670159"	112.026388	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+K"	61.952376
"259596"	388.216568	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+ACN+Na"	64.015768
"1233397"	226.116168	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+Na"	64.015768
"1723377"	226.139693	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4+HCOOH"	64.039293
"1185454"	77.0226846666667	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3Na"	68.967654
"1655349"	231.095088	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+HCOOH"	68.994688
"157220"	401.11984	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2K-H"	76.91904
"599948"	563.22024	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2K-H"	76.91904
"1084455"	239.01944	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K-H"	76.91904
"142246"	201.063558	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2K"	77.926316
"581808"	282.113758	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2K"	77.926316
"1069479"	120.013358	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K"	77.926316
"1100258"	241.033992	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K+H"	78.933592
"1335625"	241.121607	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+DMSO+H"	79.021207
"1005901"	245.160776	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2ACN+H"	83.060376
"1524273"	246.154408	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+Na+H"	84.054008
"990964"	123.084026	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2ACN+2H"	84.067652
"1587771"	247.069028	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K+HCOOH"	84.968628
"1415865"	277.100538	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+CF3COOH"	115.000138
"1149434"	143.597301	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3ACN+2H"	125.094202
"1699715"	294.127085	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4+CF3COOH"	132.026685
"1634638"	299.08248	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+CF3COOH"	136.98208
"1574303"	315.05642	"C16741"	"L-Hydroxylysine;5-Hydroxy-L-lysine;L-erythro-5-Hydroxylysine;(5R)-5-Hydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K+CF3COOH"	152.95602
"811232"	162.1004	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M"	0
"984766"	143.08201	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H2O-H"	-19.01839
"74105"	107.059657333333	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-3H"	-3.021828
"511476"	161.093124	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-3H"	-3.021828
"888187"	53.0261906666667	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-3H"	-3.021828
"8952"	161.093124	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H"	-2.014552
"450701"	242.143324	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H"	-2.014552
"825222"	80.042924	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H"	-2.014552
"81203"	323.193524	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-H"	-1.007276
"521858"	485.293924	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-H"	-1.007276
"903668"	161.093124	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H"	-1.007276
"51847"	340.220071	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+NH4"	16.019271
"488612"	502.320471	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+NH4"	16.019271
"865075"	178.119671	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+NH4"	16.019271
"31679"	345.175466	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+Na"	20.974666
"471644"	507.275866	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+Na"	20.974666
"849406"	183.075066	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+Na"	20.974666
"1626926"	183.075066	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na-2H"	20.974666
"103455"	179.081463	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-H+Cl"	33.962126
"544109"	260.131663	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-H+Cl"	33.962126
"937623"	98.031263	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+Cl"	33.962126
"275086"	359.170202	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Cl"	34.969402
"669694"	521.270602	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Cl"	34.969402
"1286836"	197.069802	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl"	34.969402
"25746"	361.149406	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M-2H+K"	36.948606
"463119"	523.249806	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M-2H+K"	36.948606
"844201"	199.049006	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-2H+K"	36.948606
"1565505"	199.049006	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K-2H"	36.948606
"949014"	207.098594	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+HCOOH"	44.998194
"365043"	369.199001	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+HCOOH-H"	44.998201
"354397"	383.214651	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Hac-H"	59.013851
"1502137"	221.114251	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Hac-H"	59.013851
"966398"	229.080551	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+NaCOOH"	66.980151
"118586"	197.069802	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Cl"	69.938804
"558147"	278.120002	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Cl"	69.938804
"1024759"	116.019602	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Cl"	69.938804
"1244338"	241.019285	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Br"	78.918885
"1311160"	243.075272	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+HCOOH"	80.974872
"1328656"	265.057229	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+NaCOOH"	102.956829
"919711"	275.085986	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M-H+CF3COOH"	112.985586
"1295327"	311.062664	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Cl+CF3COOH"	148.962264
"1372395"	127.087724	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H-2H2O"	-35.012676
"1392077"	145.0977	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H-H2O"	-17.0027
"286297"	325.208076	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H"	1.007276
"685277"	487.308476	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H"	1.007276
"1362721"	163.107676	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H"	1.007276
"134516"	163.107676	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2H"	2.014552
"572983"	244.157876	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2H"	2.014552
"1037894"	82.057476	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2H"	2.014552
"211874"	109.074209333333	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+3H"	3.021828
"645357"	163.107676	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+3H"	3.021828
"1166280"	55.0407426666667	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3H"	3.021828
"426272"	342.234623	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+NH4"	18.033823
"791644"	504.335023	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+NH4"	18.033823
"1689070"	180.134223	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4"	18.033823
"345259"	171.6209495	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+NH4"	19.041099
"737803"	252.6711495	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+NH4"	19.041099
"1490888"	90.5707495	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+NH4"	19.041099
"406291"	347.190018	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Na"	22.989218
"768499"	509.290418	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Na"	22.989218
"1616480"	185.089618	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na"	22.989218
"327245"	174.098647	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+Na"	23.996494
"720033"	255.148847	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+Na"	23.996494
"1474214"	93.048447	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+Na"	23.996494
"1066366"	62.3680566666667	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2H+Na"	25.00377
"1266955"	195.133886	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+CH3OH+H"	33.033486
"388810"	363.163958	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+K"	38.963158
"748713"	525.264358	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+K"	38.963158
"1548582"	201.063558	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K"	38.963158
"307943"	182.085617	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+H+K"	39.970434
"703646"	263.135817	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+H+K"	39.970434
"1460260"	101.035417	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+K"	39.970434
"241693"	366.234626	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+ACN+H"	42.033826
"1222056"	204.134226	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+H"	42.033826
"1200474"	102.570751	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+2H"	43.041102
"190427"	369.17196	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Na-H"	44.97116
"630351"	531.27236	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Na-H"	44.97116
"1132156"	207.07156	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Na-H"	44.97116
"175325"	185.089618	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2Na"	45.978436
"615251"	266.139818	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2Na"	45.978436
"1115792"	104.039418	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2Na"	45.978436
"1399075"	69.6953706666667	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+2Na"	46.985712
"1430992"	209.113146	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+HCOOH"	47.012746
"220688"	190.12264	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+3H2O+2H"	56.04448
"1510698"	223.16519	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+H"	61.06479
"409654"	193.076588	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+Na+K"	61.952376
"771382"	274.126788	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+Na+K"	61.952376
"1675374"	112.026388	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+K"	61.952376
"257517"	388.216568	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+ACN+Na"	64.015768
"1234603"	226.116168	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+ACN+Na"	64.015768
"1722396"	226.139693	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4+HCOOH"	64.039293
"1185196"	77.0226846666667	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3Na"	68.967654
"1658006"	231.095088	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+HCOOH"	68.994688
"160859"	401.11984	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2K-H"	76.91904
"597128"	563.22024	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2K-H"	76.91904
"1085662"	239.01944	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K-H"	76.91904
"141623"	201.063558	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"2M+2K"	77.926316
"581540"	282.113758	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"3M+2K"	77.926316
"1068858"	120.013358	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K"	77.926316
"1100275"	241.033992	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2K+H"	78.933592
"1340155"	241.121607	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+DMSO+H"	79.021207
"1005803"	245.160776	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2ACN+H"	83.060376
"1524308"	246.154408	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+IsoProp+Na+H"	84.054008
"990054"	123.084026	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+2ACN+2H"	84.067652
"1587640"	247.069028	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K+HCOOH"	84.968628
"1415246"	277.100538	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+H+CF3COOH"	115.000138
"1147399"	143.597301	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+3ACN+2H"	125.094202
"1702015"	294.127085	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+NH4+CF3COOH"	132.026685
"1646413"	299.08248	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+Na+CF3COOH"	136.98208
"1577692"	315.05642	"C16742"	"allo-Hydroxy-L-lysine;Allohydroxy-L-lysine"	"C6H14N2O3"	"162.1004"	"M+K+CF3COOH"	152.95602
"809156"	242.0668	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M"	0
"984876"	223.04841	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H2O-H"	-19.01839
"78149"	160.370590666667	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-3H"	-3.021828
"514867"	241.059524	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-3H"	-3.021828
"890485"	79.6816573333333	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-3H"	-3.021828
"12342"	241.059524	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H"	-2.014552
"447532"	362.092924	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H"	-2.014552
"828613"	120.026124	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H"	-2.014552
"87513"	483.126324	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-H"	-1.007276
"521969"	725.193124	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-H"	-1.007276
"902687"	241.059524	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H"	-1.007276
"53782"	500.152871	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H+NH4"	16.019271
"492248"	742.219671	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H+NH4"	16.019271
"867132"	258.086071	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H+NH4"	16.019271
"35397"	505.108266	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H+Na"	20.974666
"476782"	747.175066	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H+Na"	20.974666
"858594"	263.041466	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H+Na"	20.974666
"1623757"	263.041466	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na-2H"	20.974666
"107576"	259.047863	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-H+Cl"	33.962126
"547499"	380.081263	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-H+Cl"	33.962126
"939921"	138.014463	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+Cl"	33.962126
"278476"	519.103002	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Cl"	34.969402
"671990"	761.169802	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+Cl"	34.969402
"1287189"	277.036202	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl"	34.969402
"25856"	521.082206	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M-2H+K"	36.948606
"466509"	763.149006	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M-2H+K"	36.948606
"844311"	279.015406	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-2H+K"	36.948606
"1566708"	279.015406	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K-2H"	36.948606
"948031"	287.064994	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+HCOOH"	44.998194
"366246"	529.131801	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+HCOOH-H"	44.998201
"354506"	543.147451	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Hac-H"	59.013851
"1502246"	301.080651	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Hac-H"	59.013851
"966508"	309.046951	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+NaCOOH"	66.980151
"119788"	277.036202	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2Cl"	69.938804
"559349"	398.069602	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2Cl"	69.938804
"1028149"	156.002802	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2Cl"	69.938804
"1248822"	320.985685	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Br"	78.918885
"1318558"	323.041672	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl+HCOOH"	80.974872
"1333138"	345.023629	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl+NaCOOH"	102.956829
"925289"	355.052386	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M-H+CF3COOH"	112.985586
"1294344"	391.029064	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Cl+CF3COOH"	148.962264
"1377972"	207.054124	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H-2H2O"	-35.012676
"1388907"	225.0641	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H-H2O"	-17.0027
"295154"	485.140876	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H"	1.007276
"683200"	727.207676	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H"	1.007276
"1364290"	243.074076	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H"	1.007276
"135720"	243.074076	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2H"	2.014552
"573093"	364.107476	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2H"	2.014552
"1037761"	122.040676	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2H"	2.014552
"210892"	162.385142666667	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+3H"	3.021828
"651546"	243.074076	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+3H"	3.021828
"1163474"	81.6962093333333	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+3H"	3.021828
"426382"	502.167423	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+NH4"	18.033823
"787378"	744.234223	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+NH4"	18.033823
"1686989"	260.100623	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+NH4"	18.033823
"345610"	251.5873495	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H+NH4"	19.041099
"737633"	372.6207495	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H+NH4"	19.041099
"1486989"	130.5539495	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+NH4"	19.041099
"405309"	507.122818	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Na"	22.989218
"768978"	749.189618	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+Na"	22.989218
"1616955"	265.056018	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na"	22.989218
"327722"	254.065047	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H+Na"	23.996494
"720870"	375.098447	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H+Na"	23.996494
"1474696"	133.031647	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+Na"	23.996494
"1066480"	89.0235233333333	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2H+Na"	25.00377
"1271437"	275.100286	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+CH3OH+H"	33.033486
"389288"	523.096758	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+K"	38.963158
"747726"	765.163558	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+K"	38.963158
"1550876"	281.029958	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K"	38.963158
"308052"	262.052017	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+H+K"	39.970434
"698286"	383.085417	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+H+K"	39.970434
"1454296"	141.018617	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+K"	39.970434
"237795"	526.167426	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+ACN+H"	42.033826
"1214514"	284.100626	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+ACN+H"	42.033826
"1199853"	142.553951	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+ACN+2H"	43.041102
"188752"	529.10476	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2Na-H"	44.97116
"628881"	771.17156	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2Na-H"	44.97116
"1134697"	287.03796	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2Na-H"	44.97116
"177259"	265.056018	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2Na"	45.978436
"613291"	386.089418	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2Na"	45.978436
"1116799"	144.022618	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2Na"	45.978436
"1399595"	96.3508373333333	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+2Na"	46.985712
"1430860"	289.079546	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+HCOOH"	47.012746
"220269"	270.08904	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+3H2O+2H"	56.04448
"1509715"	303.13159	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+H"	61.06479
"409279"	273.042988	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+Na+K"	61.952376
"770519"	394.076388	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+Na+K"	61.952376
"1667825"	152.009588	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na+K"	61.952376
"256898"	548.149368	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+ACN+Na"	64.015768
"1232524"	306.082568	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+ACN+Na"	64.015768
"1722505"	306.106093	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+NH4+HCOOH"	64.039293
"1185675"	103.678151333333	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+3Na"	68.967654
"1651556"	311.061488	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na+HCOOH"	68.994688
"162429"	561.05264	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2K-H"	76.91904
"598341"	803.11944	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2K-H"	76.91904
"1086500"	318.98584	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2K-H"	76.91904
"142227"	281.029958	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"2M+2K"	77.926316
"581782"	402.063358	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"3M+2K"	77.926316
"1072859"	159.996558	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2K"	77.926316
"1103881"	321.000392	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2K+H"	78.933592
"1335613"	321.088007	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+DMSO+H"	79.021207
"1008067"	325.127176	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2ACN+H"	83.060376
"1526924"	326.120808	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+IsoProp+Na+H"	84.054008
"991183"	163.067226	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+2ACN+2H"	84.067652
"1587871"	327.035428	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K+HCOOH"	84.968628
"1415720"	357.066938	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+H+CF3COOH"	115.000138
"1147830"	183.580501	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+3ACN+2H"	125.094202
"1701029"	374.093485	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+NH4+CF3COOH"	132.026685
"1638868"	379.04888	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+Na+CF3COOH"	136.98208
"1577802"	395.02282	"C16743"	"Phosphoallohydroxy-L-lysine"	"C6H15N2O6P"	"242.0668"	"M+K+CF3COOH"	152.95602
"812547"	258.0852	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M"	0
"987176"	239.06681	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-H2O-H"	-19.01839
"76512"	171.049524	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M-3H"	-3.021828
"509512"	257.077924	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M-3H"	-3.021828
"888408"	85.021124	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-3H"	-3.021828
"10265"	257.077924	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M-2H"	-2.014552
"449827"	386.120524	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M-2H"	-2.014552
"828722"	128.035324	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-2H"	-2.014552
"85434"	515.163124	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M-H"	-1.007276
"522079"	773.248324	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M-H"	-1.007276
"900611"	257.077924	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-H"	-1.007276
"56077"	532.189671	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M-2H+NH4"	16.019271
"491264"	790.274871	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M-2H+NH4"	16.019271
"866270"	274.104471	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-2H+NH4"	16.019271
"35509"	537.145066	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M-2H+Na"	20.974666
"474705"	795.230266	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M-2H+Na"	20.974666
"857611"	279.059866	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-2H+Na"	20.974666
"1629333"	279.059866	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Na-2H"	20.974666
"107928"	275.066263	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M-H+Cl"	33.962126
"546518"	404.108863	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M-H+Cl"	33.962126
"942097"	146.023663	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-H+Cl"	33.962126
"279680"	551.139802	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+Cl"	34.969402
"675017"	809.225002	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+Cl"	34.969402
"1288028"	293.054602	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Cl"	34.969402
"25966"	553.119006	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M-2H+K"	36.948606
"463339"	811.204206	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M-2H+K"	36.948606
"844421"	295.033806	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-2H+K"	36.948606
"1564631"	295.033806	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+K-2H"	36.948606
"948141"	303.083394	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-H+HCOOH"	44.998194
"362711"	561.168601	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+HCOOH-H"	44.998201
"352429"	575.184251	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+Hac-H"	59.013851
"1497981"	317.099051	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Hac-H"	59.013851
"968804"	325.065351	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-H+NaCOOH"	66.980151
"115524"	293.054602	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+2Cl"	69.938804
"562375"	422.097202	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+2Cl"	69.938804
"1033728"	164.012002	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2Cl"	69.938804
"1250025"	337.004085	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Br"	78.918885
"1315753"	339.060072	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Cl+HCOOH"	80.974872
"1332887"	361.042029	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Cl+NaCOOH"	102.956829
"926373"	371.070786	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M-H+CF3COOH"	112.985586
"1299923"	407.047464	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Cl+CF3COOH"	148.962264
"1381363"	223.072524	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H-2H2O"	-35.012676
"1392297"	241.0825	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H-H2O"	-17.0027
"289798"	517.177676	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+H"	1.007276
"684405"	775.262876	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+H"	1.007276
"1364765"	259.092476	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H"	1.007276
"132550"	259.092476	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+2H"	2.014552
"574297"	388.135076	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+2H"	2.014552
"1037871"	130.049876	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2H"	2.014552
"212097"	173.064076	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+3H"	3.021828
"649469"	259.092476	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+3H"	3.021828
"1164315"	87.035676	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+3H"	3.021828
"425400"	534.204223	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+NH4"	18.033823
"789677"	792.289423	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+NH4"	18.033823
"1687104"	276.119023	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+NH4"	18.033823
"344861"	267.6057495	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+H+NH4"	19.041099
"734372"	396.6483495	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+H+NH4"	19.041099
"1486006"	138.5631495	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H+NH4"	19.041099
"406513"	539.159618	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+Na"	22.989218
"767877"	797.244818	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+Na"	22.989218
"1616583"	281.074418	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Na"	22.989218
"328193"	270.083447	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+H+Na"	23.996494
"720980"	399.126047	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+H+Na"	23.996494
"1472253"	141.040847	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H+Na"	23.996494
"1066956"	94.36299	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2H+Na"	25.00377
"1271548"	291.118686	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+CH3OH+H"	33.033486
"389758"	555.133558	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+K"	38.963158
"750025"	813.218758	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+K"	38.963158
"1549894"	297.048358	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+K"	38.963158
"308162"	278.070417	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+H+K"	39.970434
"702407"	407.113017	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+H+K"	39.970434
"1454405"	149.027817	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H+K"	39.970434
"238270"	558.204226	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+ACN+H"	42.033826
"1215716"	300.119026	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+ACN+H"	42.033826
"1201787"	150.563151	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+ACN+2H"	43.041102
"188863"	561.14156	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+2Na-H"	44.97116
"629114"	819.22676	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+2Na-H"	44.97116
"1135536"	303.05636	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2Na-H"	44.97116
"177007"	281.074418	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+2Na"	45.978436
"613398"	410.117018	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+2Na"	45.978436
"1116420"	152.031818	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2Na"	45.978436
"1400069"	101.690304	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H+2Na"	46.985712
"1431699"	305.097946	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H+HCOOH"	47.012746
"222493"	286.10744	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+3H2O+2H"	56.04448
"1510918"	319.14999	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+IsoProp+H"	61.06479
"409147"	289.061388	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+Na+K"	61.952376
"772331"	418.103988	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+Na+K"	61.952376
"1669759"	160.018788	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Na+K"	61.952376
"256280"	580.186168	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+ACN+Na"	64.015768
"1233729"	322.100968	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+ACN+Na"	64.015768
"1722615"	322.124493	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+NH4+HCOOH"	64.039293
"1185785"	109.017618	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+3Na"	68.967654
"1654584"	327.079888	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Na+HCOOH"	68.994688
"159620"	593.08944	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+2K-H"	76.91904
"602100"	851.17464	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+2K-H"	76.91904
"1085014"	335.00424	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2K-H"	76.91904
"141850"	297.048358	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"2M+2K"	77.926316
"582019"	426.090958	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"3M+2K"	77.926316
"1068876"	168.005758	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2K"	77.926316
"1099938"	337.018792	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2K+H"	78.933592
"1335875"	337.106407	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+DMSO+H"	79.021207
"1008056"	341.145576	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2ACN+H"	83.060376
"1524353"	342.139208	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+IsoProp+Na+H"	84.054008
"990078"	171.076426	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+2ACN+2H"	84.067652
"1587163"	343.053828	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+K+HCOOH"	84.968628
"1417289"	373.085338	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+H+CF3COOH"	115.000138
"1147943"	191.589701	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+3ACN+2H"	125.094202
"1704420"	390.111885	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+NH4+CF3COOH"	132.026685
"1634599"	395.06728	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+Na+CF3COOH"	136.98208
"1577912"	411.04122	"C16744"	"Spongothymidine"	"C10H14N2O6"	"258.0852"	"M+K+CF3COOH"	152.95602
"811563"	244.0695	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M"	0
"985096"	225.05111	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-H2O-H"	-19.01839
"76621"	161.705724	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M-3H"	-3.021828
"511807"	243.062224	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M-3H"	-3.021828
"885237"	80.349224	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-3H"	-3.021828
"12561"	243.062224	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M-2H"	-2.014552
"453216"	365.096974	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M-2H"	-2.014552
"830654"	121.027474	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-2H"	-2.014552
"89919"	487.131724	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M-H"	-1.007276
"526200"	731.201224	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M-H"	-1.007276
"906188"	243.062224	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-H"	-1.007276
"56187"	504.158271	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M-2H+NH4"	16.019271
"492467"	748.227771	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M-2H+NH4"	16.019271
"867719"	260.088771	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-2H+NH4"	16.019271
"36349"	509.113666	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M-2H+Na"	20.974666
"483200"	753.183166	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M-2H+Na"	20.974666
"863068"	265.044166	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-2H+Na"	20.974666
"1632967"	265.044166	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Na-2H"	20.974666
"109741"	261.050563	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M-H+Cl"	33.962126
"546629"	383.085313	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M-H+Cl"	33.962126
"940142"	139.015813	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-H+Cl"	33.962126
"280762"	523.108402	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+Cl"	34.969402
"672211"	767.177902	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+Cl"	34.969402
"1287530"	279.038902	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Cl"	34.969402
"29355"	525.087606	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M-2H+K"	36.948606
"465635"	769.157106	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M-2H+K"	36.948606
"847446"	281.018106	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-2H+K"	36.948606
"1562552"	281.018106	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+K-2H"	36.948606
"949344"	289.067694	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-H+HCOOH"	44.998194
"363186"	533.137201	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+HCOOH-H"	44.998201
"352539"	547.152851	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+Hac-H"	59.013851
"1498091"	303.083351	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Hac-H"	59.013851
"967819"	311.049651	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-H+NaCOOH"	66.980151
"120008"	279.038902	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+2Cl"	69.938804
"560662"	401.073652	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+2Cl"	69.938804
"1030555"	157.004152	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2Cl"	69.938804
"1247947"	322.988385	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Br"	78.918885
"1312582"	325.044372	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Cl+HCOOH"	80.974872
"1331172"	347.026329	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Cl+NaCOOH"	102.956829
"918949"	357.055086	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M-H+CF3COOH"	112.985586
"1300033"	393.031764	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Cl+CF3COOH"	148.962264
"1372725"	209.056824	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H-2H2O"	-35.012676
"1392407"	227.0668	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H-H2O"	-17.0027
"286628"	489.146276	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+H"	1.007276
"684515"	733.215776	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+H"	1.007276
"1361959"	245.076776	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H"	1.007276
"132659"	245.076776	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+2H"	2.014552
"568939"	367.111526	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+2H"	2.014552
"1038345"	123.042026	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2H"	2.014552
"212207"	163.720276	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+3H"	3.021828
"649579"	245.076776	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+3H"	3.021828
"1168798"	82.363776	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+3H"	3.021828
"426604"	506.172823	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+NH4"	18.033823
"791974"	750.242323	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+NH4"	18.033823
"1689400"	262.103323	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+NH4"	18.033823
"344243"	253.5900495	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+H+NH4"	19.041099
"736304"	375.6247995	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+H+NH4"	19.041099
"1486115"	131.5552995	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H+NH4"	19.041099
"406257"	511.128218	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+Na"	22.989218
"765793"	755.197718	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+Na"	22.989218
"1611704"	267.058718	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Na"	22.989218
"321742"	256.067747	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+H+Na"	23.996494
"713069"	378.102497	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+H+Na"	23.996494
"1472357"	134.032997	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H+Na"	23.996494
"1063781"	89.69109	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2H+Na"	25.00377
"1270563"	277.102986	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+CH3OH+H"	33.033486
"386952"	527.102158	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+K"	38.963158
"750135"	771.171658	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+K"	38.963158
"1550733"	283.032658	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+K"	38.963158
"308273"	264.054717	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+H+K"	39.970434
"701788"	386.089467	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+H+K"	39.970434
"1455608"	142.019967	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H+K"	39.970434
"238016"	530.172826	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+ACN+H"	42.033826
"1216921"	286.103326	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+ACN+H"	42.033826
"1195942"	143.555301	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+ACN+2H"	43.041102
"189131"	533.11016	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+2Na-H"	44.97116
"631048"	777.17966	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+2Na-H"	44.97116
"1132852"	289.04066	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2Na-H"	44.97116
"176023"	267.058718	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+2Na"	45.978436
"613751"	389.093468	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+2Na"	45.978436
"1116653"	145.023968	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2Na"	45.978436
"1398882"	97.018404	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H+2Na"	46.985712
"1431080"	291.082246	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H+HCOOH"	47.012746
"221265"	272.09174	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+3H2O+2H"	56.04448
"1509810"	305.13429	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+IsoProp+H"	61.06479
"409133"	275.045688	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+Na+K"	61.952376
"772441"	397.080438	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+Na+K"	61.952376
"1669140"	153.010938	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Na+K"	61.952376
"256390"	552.154768	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+ACN+Na"	64.015768
"1233108"	308.085268	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+ACN+Na"	64.015768
"1715069"	308.108793	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+NH4+HCOOH"	64.039293
"1182976"	104.345718	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+3Na"	68.967654
"1650802"	313.064188	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Na+HCOOH"	68.994688
"159369"	565.05804	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+2K-H"	76.91904
"604395"	809.12754	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+2K-H"	76.91904
"1085135"	320.98854	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2K-H"	76.91904
"141956"	283.032658	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"2M+2K"	77.926316
"581883"	405.067408	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"3M+2K"	77.926316
"1069431"	160.997908	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2K"	77.926316
"1100207"	323.003092	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2K+H"	78.933592
"1336594"	323.090707	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+DMSO+H"	79.021207
"1007924"	327.129876	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2ACN+H"	83.060376
"1524704"	328.123508	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+IsoProp+Na+H"	84.054008
"990791"	164.068576	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+2ACN+2H"	84.067652
"1587233"	329.038128	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+K+HCOOH"	84.968628
"1417035"	359.069638	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+H+CF3COOH"	115.000138
"1148418"	184.581851	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+3ACN+2H"	125.094202
"1704530"	376.096185	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+NH4+CF3COOH"	132.026685
"1634950"	381.05158	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+Na+CF3COOH"	136.98208
"1578022"	397.02552	"C16745"	"Spongouridine"	"C9H12N2O6"	"244.0695"	"M+K+CF3COOH"	152.95602
"813860"	593.3928	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M"	0
"987393"	574.37441	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-H2O-H"	-19.01839
"76732"	394.587924	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M-3H"	-3.021828
"511916"	592.385524	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M-3H"	-3.021828
"886440"	196.790324	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-3H"	-3.021828
"10485"	592.385524	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M-2H"	-2.014552
"450046"	889.081924	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M-2H"	-2.014552
"826755"	295.689124	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-2H"	-2.014552
"92216"	1185.778324	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M-H"	-1.007276
"523393"	1779.171124	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M-H"	-1.007276
"904111"	592.385524	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-H"	-1.007276
"55204"	1202.804871	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M-2H+NH4"	16.019271
"496951"	1796.197671	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M-2H+NH4"	16.019271
"870016"	609.412071	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-2H+NH4"	16.019271
"35365"	1207.760266	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M-2H+Na"	20.974666
"473465"	1801.153066	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M-2H+Na"	20.974666
"856738"	614.367466	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-2H+Na"	20.974666
"1632104"	614.367466	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Na-2H"	20.974666
"104989"	610.373863	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M-H+Cl"	33.962126
"546737"	907.070263	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M-H+Cl"	33.962126
"939159"	313.677463	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-H+Cl"	33.962126
"279900"	1221.755002	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+Cl"	34.969402
"674265"	1815.147802	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+Cl"	34.969402
"1282537"	628.362202	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Cl"	34.969402
"25094"	1223.734206	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M-2H+K"	36.948606
"459188"	1817.127006	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M-2H+K"	36.948606
"838082"	630.341406	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-2H+K"	36.948606
"1561570"	630.341406	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+K-2H"	36.948606
"949454"	638.390994	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-H+HCOOH"	44.998194
"365482"	1231.783801	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+HCOOH-H"	44.998201
"355930"	1245.799451	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+Hac-H"	59.013851
"1503669"	652.406651	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Hac-H"	59.013851
"969023"	660.372951	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-H+NaCOOH"	66.980151
"120847"	628.362202	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+2Cl"	69.938804
"563688"	925.058602	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+2Cl"	69.938804
"1030665"	331.665802	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2Cl"	69.938804
"1248057"	672.311685	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Br"	78.918885
"1315972"	674.367672	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Cl+HCOOH"	80.974872
"1332375"	696.349629	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Cl+NaCOOH"	102.956829
"922339"	706.378386	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M-H+CF3COOH"	112.985586
"1302329"	742.355064	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Cl+CF3COOH"	148.962264
"1376116"	558.380124	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H-2H2O"	-35.012676
"1396891"	576.3901	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H-H2O"	-17.0027
"294392"	1187.792876	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+H"	1.007276
"687905"	1781.185676	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+H"	1.007276
"1364255"	594.400076	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H"	1.007276
"132769"	594.400076	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+2H"	2.014552
"571236"	891.096476	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+2H"	2.014552
"1039308"	297.703676	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2H"	2.014552
"213411"	396.602476	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+3H"	3.021828
"649689"	594.400076	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+3H"	3.021828
"1168908"	198.804876	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+3H"	3.021828
"426714"	1204.819423	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+NH4"	18.033823
"790991"	1798.212223	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+NH4"	18.033823
"1688415"	611.426623	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+NH4"	18.033823
"336694"	602.9133495	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+H+NH4"	19.041099
"736776"	899.6097495	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+H+NH4"	19.041099
"1484039"	306.2169495	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H+NH4"	19.041099
"400529"	1209.774818	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+Na"	22.989218
"762622"	1803.167618	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+Na"	22.989218
"1609626"	616.382018	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Na"	22.989218
"326227"	605.391047	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+H+Na"	23.996494
"720834"	902.087447	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+H+Na"	23.996494
"1475748"	308.694647	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H+Na"	23.996494
"1067902"	206.13219	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2H+Na"	25.00377
"1269946"	626.426286	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+CH3OH+H"	33.033486
"390342"	1225.748758	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+K"	38.963158
"748058"	1819.141558	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+K"	38.963158
"1546831"	632.355958	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+K"	38.963158
"305103"	613.378017	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+H+K"	39.970434
"699711"	910.074417	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+H+K"	39.970434
"1455720"	316.681617	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H+K"	39.970434
"238490"	1228.819426	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+ACN+H"	42.033826
"1217031"	635.426626	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+ACN+H"	42.033826
"1196173"	318.216951	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+ACN+2H"	43.041102
"188877"	1231.75676	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+2Na-H"	44.97116
"630063"	1825.14956	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+2Na-H"	44.97116
"1133933"	638.36396	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2Na-H"	44.97116
"175040"	616.382018	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+2Na"	45.978436
"615081"	913.078418	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+2Na"	45.978436
"1116275"	319.685618	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2Na"	45.978436
"1400167"	213.459504	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H+2Na"	46.985712
"1431555"	640.405546	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H+HCOOH"	47.012746
"221615"	621.41504	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+3H2O+2H"	56.04448
"1510041"	654.45759	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+IsoProp+H"	61.06479
"410095"	624.368988	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+Na+K"	61.952376
"772916"	921.065388	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+Na+K"	61.952376
"1667790"	327.672588	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Na+K"	61.952376
"253946"	1250.801368	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+ACN+Na"	64.015768
"1230666"	657.408568	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+ACN+Na"	64.015768
"1719552"	657.432093	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+NH4+HCOOH"	64.039293
"1186002"	220.786818	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+3Na"	68.967654
"1656990"	662.387488	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Na+HCOOH"	68.994688
"159720"	1263.70464	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+2K-H"	76.91904
"601225"	1857.09744	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+2K-H"	76.91904
"1085127"	670.31184	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2K-H"	76.91904
"143040"	632.355958	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"2M+2K"	77.926316
"581827"	929.052358	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"3M+2K"	77.926316
"1069540"	335.659558	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2K"	77.926316
"1100517"	672.326392	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2K+H"	78.933592
"1336704"	672.414007	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+DMSO+H"	79.021207
"1009128"	676.453176	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2ACN+H"	83.060376
"1525425"	677.446808	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+IsoProp+Na+H"	84.054008
"990205"	338.730226	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+2ACN+2H"	84.067652
"1588569"	678.361428	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+K+HCOOH"	84.968628
"1415077"	708.392938	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+H+CF3COOH"	115.000138
"1148036"	359.243501	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+3ACN+2H"	125.094202
"1702455"	725.419485	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+NH4+CF3COOH"	132.026685
"1638104"	730.37488	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+Na+CF3COOH"	136.98208
"1575944"	746.34882	"C16746"	"Discodermolide"	"C33H55NO8"	"593.3928"	"M+K+CF3COOH"	152.95602
"814337"	403.2907	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M"	0
"985318"	384.27231	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-H2O-H"	-19.01839
"68092"	267.853190666667	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M-3H"	-3.021828
"506562"	402.283424	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M-3H"	-3.021828
"884364"	133.422957333333	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-3H"	-3.021828
"12781"	402.283424	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M-2H"	-2.014552
"447968"	603.928774	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M-2H"	-2.014552
"825772"	200.638074	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-2H"	-2.014552
"84671"	805.574124	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M-H"	-1.007276
"520951"	1208.864824	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M-H"	-1.007276
"899847"	402.283424	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-H"	-1.007276
"57501"	822.600671	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M-2H+NH4"	16.019271
"497061"	1225.891371	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M-2H+NH4"	16.019271
"875594"	419.309971	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-2H+NH4"	16.019271
"41671"	827.556066	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M-2H+Na"	20.974666
"480139"	1230.846766	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M-2H+Na"	20.974666
"859034"	424.265366	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-2H+Na"	20.974666
"1631122"	424.265366	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Na-2H"	20.974666
"104008"	420.271763	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M-H+Cl"	33.962126
"544660"	621.917113	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M-H+Cl"	33.962126
"938176"	218.626413	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-H+Cl"	33.962126
"278918"	841.550802	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+Cl"	34.969402
"671341"	1244.841502	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+Cl"	34.969402
"1284834"	438.260102	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Cl"	34.969402
"26296"	843.530006	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M-2H+K"	36.948606
"463670"	1246.820706	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M-2H+K"	36.948606
"834912"	440.239306	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-2H+K"	36.948606
"1556213"	440.239306	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+K-2H"	36.948606
"949564"	448.288894	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-H+HCOOH"	44.998194
"365594"	851.579601	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+HCOOH-H"	44.998201
"357134"	865.595251	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+Hac-H"	59.013851
"1501592"	462.304551	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Hac-H"	59.013851
"969864"	470.270851	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-H+NaCOOH"	66.980151
"121322"	438.260102	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+2Cl"	69.938804
"560885"	639.905452	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+2Cl"	69.938804
"1034055"	236.614752	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2Cl"	69.938804
"1256755"	482.209585	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Br"	78.918885
"1313895"	484.265572	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Cl+HCOOH"	80.974872
"1333214"	506.247529	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Cl+NaCOOH"	102.956829
"923545"	516.276286	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M-H+CF3COOH"	112.985586
"1301347"	552.252964	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Cl+CF3COOH"	148.962264
"1379507"	368.278024	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H-2H2O"	-35.012676
"1391536"	386.288	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H-H2O"	-17.0027
"293409"	807.588676	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+H"	1.007276
"682549"	1210.879376	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+H"	1.007276
"1357805"	404.297976	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H"	1.007276
"135068"	404.297976	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+2H"	2.014552
"570253"	605.943326	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+2H"	2.014552
"1041241"	202.652626	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2H"	2.014552
"214614"	269.867742666667	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+3H"	3.021828
"650893"	404.297976	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+3H"	3.021828
"1164647"	135.437509333333	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+3H"	3.021828
"425366"	824.615223	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+NH4"	18.033823
"788914"	1227.905923	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+NH4"	18.033823
"1685246"	421.324523	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+NH4"	18.033823
"337905"	412.8112495	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+H+NH4"	19.041099
"731417"	614.4565995	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+H+NH4"	19.041099
"1484149"	211.1658995	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H+NH4"	19.041099
"395175"	829.570618	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+Na"	22.989218
"759451"	1232.861318	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+Na"	22.989218
"1605363"	426.279918	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Na"	22.989218
"323057"	415.288947	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+H+Na"	23.996494
"719851"	616.934297	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+H+Na"	23.996494
"1474766"	213.643597	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H+Na"	23.996494
"1062186"	142.764823333333	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2H+Na"	25.00377
"1264957"	436.324186	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+CH3OH+H"	33.033486
"387173"	845.544558	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+K"	38.963158
"748168"	1248.835258	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+K"	38.963158
"1551319"	442.253858	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+K"	38.963158
"308496"	423.275917	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+H+K"	39.970434
"703101"	624.921267	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+H+K"	39.970434
"1456559"	221.630567	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H+K"	39.970434
"238602"	848.615226	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+ACN+H"	42.033826
"1217142"	445.324526	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+ACN+H"	42.033826
"1194460"	223.165901	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+ACN+2H"	43.041102
"188748"	851.55256	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+2Na-H"	44.97116
"628632"	1254.84326	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+2Na-H"	44.97116
"1131979"	448.26186	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2Na-H"	44.97116
"178068"	426.279918	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+2Na"	45.978436
"622005"	627.925268	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+2Na"	45.978436
"1118582"	224.634568	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2Na"	45.978436
"1401012"	150.092137333333	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H+2Na"	46.985712
"1430573"	450.303446	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H+HCOOH"	47.012746
"221727"	431.31294	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+3H2O+2H"	56.04448
"1508477"	464.35549	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+IsoProp+H"	61.06479
"408988"	434.266888	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+Na+K"	61.952376
"771204"	635.912238	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+Na+K"	61.952376
"1665749"	232.621538	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Na+K"	61.952376
"254056"	870.597168	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+ACN+Na"	64.015768
"1226037"	467.306468	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+ACN+Na"	64.015768
"1713219"	467.329993	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+NH4+HCOOH"	64.039293
"1181373"	157.419451333333	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+3Na"	68.967654
"1653822"	472.285388	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Na+HCOOH"	68.994688
"159709"	883.50044	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+2K-H"	76.91904
"597805"	1286.79114	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+2K-H"	76.91904
"1086942"	480.20974	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2K-H"	76.91904
"142297"	442.253858	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"2M+2K"	77.926316
"581771"	643.899208	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"3M+2K"	77.926316
"1068708"	240.608508	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2K"	77.926316
"1100045"	482.224292	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2K+H"	78.933592
"1335727"	482.311907	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+DMSO+H"	79.021207
"1009237"	486.351076	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2ACN+H"	83.060376
"1524297"	487.344708	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+IsoProp+Na+H"	84.054008
"991257"	243.679176	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+2ACN+2H"	84.067652
"1588433"	488.259328	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+K+HCOOH"	84.968628
"1418714"	518.290838	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+H+CF3COOH"	115.000138
"1147660"	264.192451	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+3ACN+2H"	125.094202
"1699283"	535.317385	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+NH4+CF3COOH"	132.026685
"1634690"	540.27278	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+Na+CF3COOH"	136.98208
"1574963"	556.24672	"C16747"	"Spergualin"	"C17H37N7O4"	"403.2907"	"M+K+CF3COOH"	152.95602
"815175"	154.0266	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M"	0
"986521"	135.00821	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-H2O-H"	-19.01839
"72577"	101.677124	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M-3H"	-3.021828
"508859"	153.019324	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M-3H"	-3.021828
"886660"	50.334924	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-3H"	-3.021828
"8519"	153.019324	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M-2H"	-2.014552
"445891"	230.032624	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M-2H"	-2.014552
"825882"	76.006024	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-2H"	-2.014552
"85874"	307.045924	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M-H"	-1.007276
"521427"	461.072524	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M-H"	-1.007276
"906517"	153.019324	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-H"	-1.007276
"58705"	324.072471	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M-2H+NH4"	16.019271
"500939"	478.099071	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M-2H+NH4"	16.019271
"874975"	170.045871	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-2H+NH4"	16.019271
"44941"	329.027866	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M-2H+Na"	20.974666
"481345"	483.054466	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M-2H+Na"	20.974666
"859145"	175.001266	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-2H+Na"	20.974666
"1630868"	175.001266	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Na-2H"	20.974666
"107398"	171.007663	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M-H+Cl"	33.962126
"548050"	248.020963	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M-H+Cl"	33.962126
"940473"	93.994363	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-H+Cl"	33.962126
"281215"	343.022602	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+Cl"	34.969402
"673638"	497.049202	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+Cl"	34.969402
"1286039"	188.996002	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Cl"	34.969402
"28595"	345.001806	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M-2H+K"	36.948606
"462687"	499.028406	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M-2H+K"	36.948606
"835386"	190.975206	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-2H+K"	36.948606
"1561791"	190.975206	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+K-2H"	36.948606
"954049"	199.024794	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-H+HCOOH"	44.998194
"374451"	353.051401	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+HCOOH-H"	44.998201
"359067"	367.067051	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+Hac-H"	59.013851
"1504255"	213.040451	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Hac-H"	59.013851
"973255"	221.006751	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-H+NaCOOH"	66.980151
"123986"	188.996002	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+2Cl"	69.938804
"564642"	266.009302	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+2Cl"	69.938804
"1035260"	111.982702	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2Cl"	69.938804
"1255450"	232.945485	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Br"	78.918885
"1317287"	235.001472	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Cl+HCOOH"	80.974872
"1330409"	256.983429	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Cl+NaCOOH"	102.956829
"924748"	267.012186	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M-H+CF3COOH"	112.985586
"1301458"	302.988864	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Cl+CF3COOH"	148.962264
"1381442"	119.013924	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H-2H2O"	-35.012676
"1392742"	137.0239	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H-H2O"	-17.0027
"295706"	309.060476	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+H"	1.007276
"691085"	463.087076	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+H"	1.007276
"1359009"	155.033876	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H"	1.007276
"137366"	155.033876	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+2H"	2.014552
"573645"	232.047176	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+2H"	2.014552
"1046820"	78.020576	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2H"	2.014552
"217643"	103.691676	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+3H"	3.021828
"649910"	155.033876	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+3H"	3.021828
"1165852"	52.349476	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+3H"	3.021828
"427300"	326.087023	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+NH4"	18.033823
"794494"	480.113623	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+NH4"	18.033823
"1689730"	172.060423	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+NH4"	18.033823
"344577"	163.5471495	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+H+NH4"	19.041099
"737000"	240.5604495	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+H+NH4"	19.041099
"1487541"	86.5338495	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H+NH4"	19.041099
"404401"	331.042418	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+Na"	22.989218
"760655"	485.069018	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+Na"	22.989218
"1612035"	177.015818	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Na"	22.989218
"324261"	166.024847	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+H+Na"	23.996494
"719962"	243.038147	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+H+Na"	23.996494
"1473420"	89.011547	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H+Na"	23.996494
"1060475"	59.67679	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2H+Na"	25.00377
"1263246"	187.060086	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+CH3OH+H"	33.033486
"385099"	347.016358	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+K"	38.963158
"746093"	501.042958	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+K"	38.963158
"1548150"	192.989758	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+K"	38.963158
"308605"	174.011817	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+H+K"	39.970434
"703212"	251.025117	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+H+K"	39.970434
"1453754"	96.998517	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H+K"	39.970434
"241265"	350.087026	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+ACN+H"	42.033826
"1217252"	196.060426	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+ACN+H"	42.033826
"1194813"	98.533851	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+ACN+2H"	43.041102
"189020"	353.02436	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+2Na-H"	44.97116
"629798"	507.05096	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+2Na-H"	44.97116
"1131967"	198.99776	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2Na-H"	44.97116
"175992"	177.015818	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+2Na"	45.978436
"617011"	254.029118	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+2Na"	45.978436
"1120152"	100.002518	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2Na"	45.978436
"1401488"	67.004104	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H+2Na"	46.985712
"1431416"	201.039346	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H+HCOOH"	47.012746
"222200"	182.04884	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+3H2O+2H"	56.04448
"1510259"	215.09139	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+IsoProp+H"	61.06479
"409588"	185.002788	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+Na+K"	61.952376
"770137"	262.016088	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+Na+K"	61.952376
"1666187"	107.989488	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Na+K"	61.952376
"251929"	372.068968	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+ACN+Na"	64.015768
"1228335"	218.042368	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+ACN+Na"	64.015768
"1712761"	218.065893	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+NH4+HCOOH"	64.039293
"1178549"	74.331418	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+3Na"	68.967654
"1650768"	223.021288	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Na+HCOOH"	68.994688
"157334"	384.97224	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+2K-H"	76.91904
"597377"	538.99884	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+2K-H"	76.91904
"1084693"	230.94564	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2K-H"	76.91904
"141800"	192.989758	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"2M+2K"	77.926316
"581551"	270.003058	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"3M+2K"	77.926316
"1068693"	115.976458	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2K"	77.926316
"1100172"	232.960192	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2K+H"	78.933592
"1335736"	233.047807	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+DMSO+H"	79.021207
"1006062"	237.086976	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2ACN+H"	83.060376
"1524671"	238.080608	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+IsoProp+Na+H"	84.054008
"990269"	119.047126	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+2ACN+2H"	84.067652
"1587811"	238.995228	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+K+HCOOH"	84.968628
"1419551"	269.026738	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+H+CF3COOH"	115.000138
"1148499"	139.560401	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+3ACN+2H"	125.094202
"1697929"	286.053285	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+NH4+CF3COOH"	132.026685
"1634676"	291.00868	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+Na+CF3COOH"	136.98208
"1575073"	306.98262	"C16748"	"Patulin"	"C7H6O4"	"154.0266"	"M+K+CF3COOH"	152.95602
"815896"	850.4351	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M"	0
"986632"	831.41671	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-H2O-H"	-19.01839
"70501"	565.949457333333	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M-3H"	-3.021828
"513342"	849.427824	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M-3H"	-3.021828
"883488"	282.471090666667	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-3H"	-3.021828
"7534"	849.427824	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M-2H"	-2.014552
"450375"	1274.645374	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M-2H"	-2.014552
"827085"	424.210274	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-2H"	-2.014552
"80152"	1699.862924	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M-H"	-1.007276
"518780"	2550.298024	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M-H"	-1.007276
"905534"	849.427824	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-H"	-1.007276
"55534"	1716.889471	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M-2H+NH4"	16.019271
"497281"	2567.324571	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M-2H+NH4"	16.019271
"875084"	866.454371	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-2H+NH4"	16.019271
"40798"	1721.844866	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M-2H+Na"	20.974666
"481455"	2572.279966	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M-2H+Na"	20.974666
"859255"	871.409766	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-2H+Na"	20.974666
"1629883"	871.409766	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Na-2H"	20.974666
"106050"	867.416163	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M-H+Cl"	33.962126
"543785"	1292.633713	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M-H+Cl"	33.962126
"936209"	442.198613	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-H+Cl"	33.962126
"279138"	1735.839602	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+Cl"	34.969402
"669373"	2586.274702	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+Cl"	34.969402
"1285056"	885.404502	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Cl"	34.969402
"22143"	1737.818806	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M-2H+K"	36.948606
"464983"	2588.253906	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M-2H+K"	36.948606
"834036"	887.383706	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-2H+K"	36.948606
"1555865"	887.383706	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+K-2H"	36.948606
"951972"	895.433294	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-H+HCOOH"	44.998194
"371281"	1745.868401	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+HCOOH-H"	44.998201
"357721"	1759.884051	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+Hac-H"	59.013851
"1505825"	909.448951	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Hac-H"	59.013851
"972152"	917.415251	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-H+NaCOOH"	66.980151
"123002"	885.404502	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+2Cl"	69.938804
"564024"	1310.622052	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+2Cl"	69.938804
"1034647"	460.186952	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2Cl"	69.938804
"1253494"	929.353985	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Br"	78.918885
"1319589"	931.409972	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Cl+HCOOH"	80.974872
"1335138"	953.391929	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Cl+NaCOOH"	102.956829
"925586"	963.420686	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M-H+CF3COOH"	112.985586
"1301204"	999.397364	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Cl+CF3COOH"	148.962264
"1380824"	815.422424	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H-2H2O"	-35.012676
"1396132"	833.4324	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H-H2O"	-17.0027
"293629"	1701.877476	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+H"	1.007276
"688237"	2552.312576	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+H"	1.007276
"1359119"	851.442376	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H"	1.007276
"138569"	851.442376	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+2H"	2.014552
"573755"	1276.659926	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+2H"	2.014552
"1049116"	426.224826	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2H"	2.014552
"217757"	567.964009333333	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+3H"	3.021828
"653302"	851.442376	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+3H"	3.021828
"1172520"	284.485642666667	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+3H"	3.021828
"429234"	1718.904023	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+NH4"	18.033823
"792414"	2569.339123	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+NH4"	18.033823
"1689840"	868.468923	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+NH4"	18.033823
"341402"	859.9556495	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+H+NH4"	19.041099
"733830"	1285.1731995	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+H+NH4"	19.041099
"1489476"	434.7380995	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H+NH4"	19.041099
"405238"	1723.859418	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+Na"	22.989218
"766234"	2574.294518	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+Na"	22.989218
"1614332"	873.424318	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Na"	22.989218
"324371"	862.433347	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+H+Na"	23.996494
"714605"	1287.650897	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+H+Na"	23.996494
"1471706"	437.215797	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H+Na"	23.996494
"1059489"	291.812956666667	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2H+Na"	25.00377
"1263355"	883.468586	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+CH3OH+H"	33.033486
"383023"	1739.833358	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+K"	38.963158
"747298"	2590.268458	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+K"	38.963158
"1548258"	889.398258	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+K"	38.963158
"305799"	870.420317	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+H+K"	39.970434
"700044"	1295.637867	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+H+K"	39.970434
"1452771"	445.202767	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H+K"	39.970434
"241739"	1742.904026	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+ACN+H"	42.033826
"1216269"	892.468926	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+ACN+H"	42.033826
"1195776"	446.738101	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+ACN+2H"	43.041102
"189861"	1745.84136	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+2Na-H"	44.97116
"629664"	2596.27646	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+2Na-H"	44.97116
"1133532"	895.40626	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2Na-H"	44.97116
"175373"	873.424318	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+2Na"	45.978436
"617121"	1298.641868	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+2Na"	45.978436
"1117342"	448.206768	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2Na"	45.978436
"1401232"	299.140270666667	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H+2Na"	46.985712
"1431522"	897.447846	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H+HCOOH"	47.012746
"221216"	878.45734	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+3H2O+2H"	56.04448
"1509640"	911.49989	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+IsoProp+H"	61.06479
"410057"	881.411288	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+Na+K"	61.952376
"773246"	1306.628838	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+Na+K"	61.952376
"1668119"	456.193738	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Na+K"	61.952376
"251962"	1764.885968	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+ACN+Na"	64.015768
"1226619"	914.450868	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+ACN+Na"	64.015768
"1714415"	914.474393	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+NH4+HCOOH"	64.039293
"1180864"	306.467584666667	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+3Na"	68.967654
"1650757"	919.429788	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Na+HCOOH"	68.994688
"157450"	1777.78924	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+2K-H"	76.91904
"597659"	2628.22434	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+2K-H"	76.91904
"1084720"	927.35414	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2K-H"	76.91904
"143127"	889.398258	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"2M+2K"	77.926316
"582431"	1314.615808	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"3M+2K"	77.926316
"1068767"	464.180708	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2K"	77.926316
"1100272"	929.368692	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2K+H"	78.933592
"1337647"	929.456307	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+DMSO+H"	79.021207
"1006089"	933.495476	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2ACN+H"	83.060376
"1524374"	934.489108	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+IsoProp+Na+H"	84.054008
"990502"	467.251376	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+2ACN+2H"	84.067652
"1591814"	935.403728	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+K+HCOOH"	84.968628
"1424036"	965.435238	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+H+CF3COOH"	115.000138
"1149950"	487.764651	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+3ACN+2H"	125.094202
"1697675"	982.461785	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+NH4+CF3COOH"	132.026685
"1637342"	987.41718	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+Na+CF3COOH"	136.98208
"1574088"	1003.39112	"C16749"	"Acetylgitaloxin;alpha-Acetylgitaloxin"	"C44H66O16"	"850.4351"	"M+K+CF3COOH"	152.95602
"816491"	341.1838	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M"	0
"984558"	322.16541	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-H2O-H"	-19.01839
"72800"	226.448590666667	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M-3H"	-3.021828
"516736"	340.176524	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M-3H"	-3.021828
"893814"	112.720657333333	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-3H"	-3.021828
"12750"	340.176524	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M-2H"	-2.014552
"451582"	510.768424	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M-2H"	-2.014552
"826106"	169.584624	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-2H"	-2.014552
"87191"	681.360324	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M-H"	-1.007276
"525657"	1022.544124	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M-H"	-1.007276
"905645"	340.176524	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-H"	-1.007276
"49810"	698.386871	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M-2H+NH4"	16.019271
"493384"	1039.570671	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M-2H+NH4"	16.019271
"869364"	357.203071	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-2H+NH4"	16.019271
"37266"	703.342266	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M-2H+Na"	20.974666
"478285"	1044.526066	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M-2H+Na"	20.974666
"857182"	362.158466	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-2H+Na"	20.974666
"1627810"	362.158466	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Na-2H"	20.974666
"102152"	358.164863	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M-H+Cl"	33.962126
"544992"	528.756763	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M-H+Cl"	33.962126
"938505"	187.572963	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-H+Cl"	33.962126
"280344"	717.337002	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+Cl"	34.969402
"671672"	1058.520802	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+Cl"	34.969402
"1282981"	376.153202	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Cl"	34.969402
"26631"	719.316206	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M-2H+K"	36.948606
"464003"	1060.500006	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M-2H+K"	36.948606
"841805"	378.132406	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-2H+K"	36.948606
"1566387"	378.132406	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+K-2H"	36.948606
"949895"	386.181994	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-H+HCOOH"	44.998194
"376137"	727.365801	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+HCOOH-H"	44.998201
"360516"	741.381451	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+Hac-H"	59.013851
"1507638"	400.197651	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Hac-H"	59.013851
"973358"	408.163951	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-H+NaCOOH"	66.980151
"125228"	376.153202	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+2Cl"	69.938804
"564864"	546.745102	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+2Cl"	69.938804
"1036583"	205.561302	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2Cl"	69.938804
"1256524"	420.102685	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Br"	78.918885
"1319620"	422.158672	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Cl+HCOOH"	80.974872
"1334398"	444.140629	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Cl+NaCOOH"	102.956829
"925579"	454.169386	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M-H+CF3COOH"	112.985586
"1301678"	490.146064	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Cl+CF3COOH"	148.962264
"1381301"	306.171124	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H-2H2O"	-35.012676
"1397336"	324.1811	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H-H2O"	-17.0027
"292648"	683.374876	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+H"	1.007276
"688348"	1024.558676	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+H"	1.007276
"1359229"	342.191076	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H"	1.007276
"138679"	342.191076	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+2H"	2.014552
"578239"	512.782976	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+2H"	2.014552
"1051413"	171.599176	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2H"	2.014552
"218596"	228.463142666667	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+3H"	3.021828
"654507"	342.191076	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+3H"	3.021828
"1172630"	114.735209333333	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+3H"	3.021828
"433720"	700.401423	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+NH4"	18.033823
"793622"	1041.585223	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+NH4"	18.033823
"1692870"	359.217623	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+NH4"	18.033823
"340055"	350.7043495	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+H+NH4"	19.041099
"737221"	521.2962495	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+H+NH4"	19.041099
"1492099"	180.1124495	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H+NH4"	19.041099
"406440"	705.356818	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+Na"	22.989218
"769789"	1046.540618	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+Na"	22.989218
"1615535"	364.173018	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Na"	22.989218
"324485"	353.182047	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+H+Na"	23.996494
"717273"	523.773947	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+H+Na"	23.996494
"1471820"	182.590147	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H+Na"	23.996494
"1062883"	122.062523333333	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2H+Na"	25.00377
"1266747"	374.217286	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+CH3OH+H"	33.033486
"384226"	721.330758	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+K"	38.963158
"748502"	1062.514558	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+K"	38.963158
"1550194"	380.146958	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+K"	38.963158
"309922"	361.169017	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+H+K"	39.970434
"698333"	531.760917	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+H+K"	39.970434
"1451792"	190.577117	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H+K"	39.970434
"241118"	724.401426	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+ACN+H"	42.033826
"1217108"	383.217626	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+ACN+H"	42.033826
"1200627"	192.112451	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+ACN+2H"	43.041102
"191311"	727.33876	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+2Na-H"	44.97116
"633788"	1068.52256	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+2Na-H"	44.97116
"1134742"	386.15496	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2Na-H"	44.97116
"175847"	364.173018	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+2Na"	45.978436
"617232"	534.764918	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+2Na"	45.978436
"1120373"	193.581118	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2Na"	45.978436
"1404991"	129.389837333333	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H+2Na"	46.985712
"1433457"	388.196546	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H+HCOOH"	47.012746
"221328"	369.20604	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+3H2O+2H"	56.04448
"1511578"	402.24859	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+IsoProp+H"	61.06479
"412359"	372.159988	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+Na+K"	61.952376
"775544"	542.751888	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+Na+K"	61.952376
"1670417"	201.568088	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Na+K"	61.952376
"254752"	746.383368	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+ACN+Na"	64.015768
"1228190"	405.199568	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+ACN+Na"	64.015768
"1717806"	405.223093	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+NH4+HCOOH"	64.039293
"1182070"	136.717151333333	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+3Na"	68.967654
"1654151"	410.178488	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Na+HCOOH"	68.994688
"161014"	759.28664	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+2K-H"	76.91904
"597492"	1100.47044	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+2K-H"	76.91904
"1085000"	418.10284	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2K-H"	76.91904
"143361"	380.146958	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"2M+2K"	77.926316
"583654"	550.738858	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"3M+2K"	77.926316
"1074727"	209.555058	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2K"	77.926316
"1106844"	420.117392	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2K+H"	78.933592
"1341039"	420.205007	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+DMSO+H"	79.021207
"1006406"	424.244176	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2ACN+H"	83.060376
"1529880"	425.237808	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+IsoProp+Na+H"	84.054008
"991955"	212.625726	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+2ACN+2H"	84.067652
"1589740"	426.152428	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+K+HCOOH"	84.968628
"1417588"	456.183938	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+H+CF3COOH"	115.000138
"1154437"	233.139001	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+3ACN+2H"	125.094202
"1700708"	473.210485	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+NH4+CF3COOH"	132.026685
"1637452"	478.16588	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+Na+CF3COOH"	136.98208
"1575293"	494.13982	"C16750"	"Acetylintermedine"	"C17H27NO6"	"341.1838"	"M+K+CF3COOH"	152.95602
"813317"	341.1838	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M"	0
"985759"	322.16541	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-H2O-H"	-19.01839
"70722"	226.448590666667	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M-3H"	-3.021828
"512470"	340.176524	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M-3H"	-3.021828
"895624"	112.720657333333	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-3H"	-3.021828
"15045"	340.176524	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M-2H"	-2.014552
"450597"	510.768424	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M-2H"	-2.014552
"832768"	169.584624	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-2H"	-2.014552
"90582"	681.360324	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M-H"	-1.007276
"527955"	1022.544124	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M-H"	-1.007276
"901384"	340.176524	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-H"	-1.007276
"49925"	698.386871	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M-2H+NH4"	16.019271
"497506"	1039.570671	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M-2H+NH4"	16.019271
"876402"	357.203071	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-2H+NH4"	16.019271
"43210"	703.342266	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M-2H+Na"	20.974666
"487044"	1044.526066	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M-2H+Na"	20.974666
"863854"	362.158466	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-2H+Na"	20.974666
"1630107"	362.158466	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Na-2H"	20.974666
"107730"	358.164863	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M-H+Cl"	33.962126
"549600"	528.756763	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M-H+Cl"	33.962126
"940682"	187.572963	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-H+Cl"	33.962126
"282359"	717.337002	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+Cl"	34.969402
"673849"	1058.520802	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+Cl"	34.969402
"1287913"	376.153202	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Cl"	34.969402
"27835"	719.316206	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M-2H+K"	36.948606
"466301"	1060.500006	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M-2H+K"	36.948606
"841915"	378.132406	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-2H+K"	36.948606
"1566497"	378.132406	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+K-2H"	36.948606
"950005"	386.181994	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-H+HCOOH"	44.998194
"377041"	727.365801	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+HCOOH-H"	44.998201
"361340"	741.381451	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+Hac-H"	59.013851
"1508121"	400.197651	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Hac-H"	59.013851
"973920"	408.163951	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-H+NaCOOH"	66.980151
"125175"	376.153202	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+2Cl"	69.938804
"564974"	546.745102	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+2Cl"	69.938804
"1036811"	205.561302	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2Cl"	69.938804
"1256508"	420.102685	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Br"	78.918885
"1318349"	422.158672	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Cl+HCOOH"	80.974872
"1333656"	444.140629	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Cl+NaCOOH"	102.956829
"923623"	454.169386	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M-H+CF3COOH"	112.985586
"1301788"	490.146064	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Cl+CF3COOH"	148.962264
"1381534"	306.171124	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H-2H2O"	-35.012676
"1397813"	324.1811	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H-H2O"	-17.0027
"293852"	683.374876	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+H"	1.007276
"686272"	1024.558676	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+H"	1.007276
"1359339"	342.191076	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H"	1.007276
"138789"	342.191076	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+2H"	2.014552
"577256"	512.782976	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+2H"	2.014552
"1051402"	171.599176	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2H"	2.014552
"217614"	228.463142666667	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+3H"	3.021828
"656683"	342.191076	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+3H"	3.021828
"1173835"	114.735209333333	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+3H"	3.021828
"432737"	700.401423	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+NH4"	18.033823
"794826"	1041.585223	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+NH4"	18.033823
"1690063"	359.217623	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+NH4"	18.033823
"337248"	350.7043495	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+H+NH4"	19.041099
"736969"	521.2962495	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+H+NH4"	19.041099
"1491157"	180.1124495	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H+NH4"	19.041099
"406186"	705.356818	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+Na"	22.989218
"769370"	1046.540618	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+Na"	22.989218
"1616375"	364.173018	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Na"	22.989218
"327515"	353.182047	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+H+Na"	23.996494
"720300"	523.773947	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+H+Na"	23.996494
"1475212"	182.590147	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H+Na"	23.996494
"1066273"	122.062523333333	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2H+Na"	25.00377
"1271232"	374.217286	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+CH3OH+H"	33.033486
"390899"	721.330758	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+K"	38.963158
"750800"	1062.514558	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+K"	38.963158
"1551762"	380.146958	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+K"	38.963158
"313673"	361.169017	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+H+K"	39.970434
"698082"	531.760917	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+H+K"	39.970434
"1454089"	190.577117	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H+K"	39.970434
"243781"	724.401426	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+ACN+H"	42.033826
"1217584"	383.217626	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+ACN+H"	42.033826
"1201467"	192.112451	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+ACN+2H"	43.041102
"192880"	727.33876	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+2Na-H"	44.97116
"631712"	1068.52256	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+2Na-H"	44.97116
"1133032"	386.15496	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2Na-H"	44.97116
"174986"	364.173018	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+2Na"	45.978436
"623541"	534.764918	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+2Na"	45.978436
"1122672"	193.581118	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2Na"	45.978436
"1406194"	129.389837333333	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H+2Na"	46.985712
"1432839"	388.196546	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H+HCOOH"	47.012746
"220587"	369.20604	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+3H2O+2H"	56.04448
"1510961"	402.24859	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+IsoProp+H"	61.06479
"412835"	372.159988	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+Na+K"	61.952376
"774922"	542.751888	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+Na+K"	61.952376
"1670162"	201.568088	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Na+K"	61.952376
"256685"	746.383368	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+ACN+Na"	64.015768
"1229760"	405.199568	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+ACN+Na"	64.015768
"1720105"	405.223093	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+NH4+HCOOH"	64.039293
"1184367"	136.717151333333	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+3Na"	68.967654
"1659728"	410.178488	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Na+HCOOH"	68.994688
"165498"	759.28664	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+2K-H"	76.91904
"598619"	1100.47044	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+2K-H"	76.91904
"1085440"	418.10284	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2K-H"	76.91904
"146391"	380.146958	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"2M+2K"	77.926316
"582671"	550.738858	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"3M+2K"	77.926316
"1072650"	209.555058	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2K"	77.926316
"1109140"	420.117392	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2K+H"	78.933592
"1344430"	420.205007	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+DMSO+H"	79.021207
"1015146"	424.244176	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2ACN+H"	83.060376
"1537644"	425.237808	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+IsoProp+Na+H"	84.054008
"998628"	212.625726	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+2ACN+2H"	84.067652
"1592037"	426.152428	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+K+HCOOH"	84.968628
"1417698"	456.183938	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+H+CF3COOH"	115.000138
"1154547"	233.139001	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+3ACN+2H"	125.094202
"1703005"	473.210485	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+NH4+CF3COOH"	132.026685
"1637562"	478.16588	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+Na+CF3COOH"	136.98208
"1575403"	494.13982	"C16751"	"Acetyllycopsamine"	"C17H27NO6"	"341.1838"	"M+K+CF3COOH"	152.95602
"811239"	480.1995	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M"	0
"982590"	461.18111	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-H2O-H"	-19.01839
"65363"	319.125724	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M-3H"	-3.021828
"508206"	479.192224	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M-3H"	-3.021828
"884914"	159.059224	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-3H"	-3.021828
"7864"	479.192224	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M-2H"	-2.014552
"450707"	719.291974	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M-2H"	-2.014552
"828509"	239.092474	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-2H"	-2.014552
"89598"	959.391724	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M-H"	-1.007276
"519438"	1439.591224	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M-H"	-1.007276
"901495"	479.192224	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-H"	-1.007276
"48209"	976.418271	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M-2H+NH4"	16.019271
"490324"	1456.617771	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M-2H+NH4"	16.019271
"868491"	496.218771	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-2H+NH4"	16.019271
"38943"	981.373666	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M-2H+Na"	20.974666
"480691"	1461.573166	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M-2H+Na"	20.974666
"860683"	501.174166	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-2H+Na"	20.974666
"1632038"	501.174166	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Na-2H"	20.974666
"107838"	497.180563	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M-H+Cl"	33.962126
"544119"	737.280313	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M-H+Cl"	33.962126
"939455"	257.080813	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-H+Cl"	33.962126
"281291"	995.368402	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+Cl"	34.969402
"674078"	1475.567902	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+Cl"	34.969402
"1285386"	515.168902	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Cl"	34.969402
"26850"	997.347606	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M-2H+K"	36.948606
"464222"	1477.547106	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M-2H+K"	36.948606
"836557"	517.148106	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-2H+K"	36.948606
"1560044"	517.148106	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+K-2H"	36.948606
"943550"	525.197694	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-H+HCOOH"	44.998194
"372705"	1005.397201	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+HCOOH-H"	44.998201
"359511"	1019.412851	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+Hac-H"	59.013851
"1506154"	539.213351	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Hac-H"	59.013851
"973985"	547.179651	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-H+NaCOOH"	66.980151
"125523"	515.168902	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+2Cl"	69.938804
"564964"	755.268652	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+2Cl"	69.938804
"1036314"	275.069152	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2Cl"	69.938804
"1256375"	559.118385	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Br"	78.918885
"1318822"	561.174372	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Cl+HCOOH"	80.974872
"1334131"	583.156329	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Cl+NaCOOH"	102.956829
"925186"	593.185086	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M-H+CF3COOH"	112.985586
"1297521"	629.161764	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Cl+CF3COOH"	148.962264
"1377871"	445.186824	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H-2H2O"	-35.012676
"1394274"	463.1968	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H-H2O"	-17.0027
"295055"	961.406276	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+H"	1.007276
"686382"	1441.605776	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+H"	1.007276
"1358356"	481.206776	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H"	1.007276
"136713"	481.206776	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+2H"	2.014552
"578460"	721.306526	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+2H"	2.014552
"1050540"	241.107026	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2H"	2.014552
"217360"	321.140276	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+3H"	3.021828
"653634"	481.206776	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+3H"	3.021828
"1172852"	161.073776	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+3H"	3.021828
"431754"	978.432823	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+NH4"	18.033823
"794936"	1458.632323	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+NH4"	18.033823
"1690173"	498.233323	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+NH4"	18.033823
"336266"	489.7200495	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+H+NH4"	19.041099
"736837"	729.8197995	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+H+NH4"	19.041099
"1489806"	249.6202995	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H+NH4"	19.041099
"405203"	983.388218	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+Na"	22.989218
"766566"	1463.587718	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+Na"	22.989218
"1616851"	503.188718	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Na"	22.989218
"328233"	492.197747	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+H+Na"	23.996494
"721505"	732.297497	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+H+Na"	23.996494
"1476172"	252.097997	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H+Na"	23.996494
"1067356"	168.40109	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2H+Na"	25.00377
"1271342"	513.232986	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+CH3OH+H"	33.033486
"391009"	999.362158	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+K"	38.963158
"751642"	1479.561658	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+K"	38.963158
"1553330"	519.162658	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+K"	38.963158
"311232"	500.184717	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+H+K"	39.970434
"703656"	740.284467	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+H+K"	39.970434
"1456388"	260.084967	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H+K"	39.970434
"243892"	1002.432826	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+ACN+H"	42.033826
"1217696"	522.233326	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+ACN+H"	42.033826
"1201577"	261.620301	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+ACN+2H"	43.041102
"193354"	1005.37016	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+2Na-H"	44.97116
"629269"	1485.56966	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+2Na-H"	44.97116
"1134601"	525.17066	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2Na-H"	44.97116
"176191"	503.188718	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+2Na"	45.978436
"620371"	743.288468	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+2Na"	45.978436
"1119502"	263.088968	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2Na"	45.978436
"1408127"	175.728404	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H+2Na"	46.985712
"1432588"	527.212246	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H+HCOOH"	47.012746
"221062"	508.22174	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+3H2O+2H"	56.04448
"1512529"	541.26429	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+IsoProp+H"	61.06479
"409663"	511.175688	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+Na+K"	61.952376
"773210"	751.275438	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+Na+K"	61.952376
"1672095"	271.075938	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Na+K"	61.952376
"254608"	1024.414768	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+ACN+Na"	64.015768
"1230236"	544.215268	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+ACN+Na"	64.015768
"1718029"	544.238793	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+NH4+HCOOH"	64.039293
"1187757"	183.055718	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+3Na"	68.967654
"1658745"	549.194188	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Na+HCOOH"	68.994688
"165608"	1037.31804	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+2K-H"	76.91904
"600796"	1517.51754	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+2K-H"	76.91904
"1084200"	557.11854	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2K-H"	76.91904
"148687"	519.162658	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"2M+2K"	77.926316
"584968"	759.262408	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"3M+2K"	77.926316
"1076041"	279.062908	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2K"	77.926316
"1110344"	559.133092	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2K+H"	78.933592
"1344541"	559.220707	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+DMSO+H"	79.021207
"1016349"	563.259876	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2ACN+H"	83.060376
"1537754"	564.253508	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+IsoProp+Na+H"	84.054008
"992177"	282.133576	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+2ACN+2H"	84.067652
"1592147"	565.168128	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+K+HCOOH"	84.968628
"1426553"	595.199638	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+H+CF3COOH"	115.000138
"1156844"	302.646851	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+3ACN+2H"	125.094202
"1708581"	612.226185	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+NH4+CF3COOH"	132.026685
"1637672"	617.18158	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+Na+CF3COOH"	136.98208
"1575513"	633.15552	"C16752"	"Acevaltrate"	"C24H32O10"	"480.1995"	"M+K+CF3COOH"	152.95602
"815722"	314.079	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M"	0
"979419"	295.06061	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"65472"	208.378724	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"508314"	313.071724	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"886117"	103.685724	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"11255"	313.071724	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"451912"	470.111224	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"827528"	156.032224	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"90801"	627.150724	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"523801"	941.229724	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"901604"	313.071724	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"51966"	644.177271	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"492256"	958.256271	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"870423"	330.098271	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"37230"	649.132666	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"480437"	963.211666	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"860792"	335.053666	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1631297"	335.053666	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"106853"	331.060063	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"544229"	488.099563	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"937742"	174.020563	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"276298"	663.127402	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"669814"	977.206402	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1283309"	349.048402	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"29147"	665.106606	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"459958"	979.185606	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"838854"	351.027606	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1560153"	351.027606	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"944755"	359.077194	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"369534"	673.156201	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"360473"	687.171851	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1507604"	373.092851	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"973323"	381.059151	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"124415"	349.048402	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"564708"	506.087902	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1035817"	192.008902	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1256121"	392.997885	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1317839"	395.053872	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1330959"	417.035829	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"923109"	427.064586	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1296538"	463.041264	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1380165"	279.066324	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1393290"	297.0763	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"292976"	629.165276	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"691113"	943.244276	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1362840"	315.086276	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H"	1.007276
"136822"	315.086276	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"578570"	472.125776	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1052477"	158.046776	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"219165"	210.393276	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"651557"	315.086276	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1174054"	105.700276	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"432956"	646.191823	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"795045"	960.270823	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1689552"	332.112823	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"339655"	323.5995495	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"735730"	480.6390495	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1488092"	166.5600495	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"405313"	651.147218	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"765581"	965.226218	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1611492"	337.068218	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"327977"	326.077247	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"717965"	483.116747	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1474705"	169.037747	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1061029"	113.02759	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1265988"	347.112486	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"389298"	667.121158	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"744465"	981.200158	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1548340"	353.042158	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+K"	38.963158
"309158"	334.064217	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"700123"	491.103717	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1455404"	177.024717	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"241818"	670.191826	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1214890"	356.112826	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1200594"	178.560051	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"192736"	673.12916	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"629739"	987.20816	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1134711"	359.05016	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"175693"	337.068218	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"622667"	494.107718	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1119612"	180.028718	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1403134"	120.354904	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1432333"	361.091746	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"222753"	342.10124	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1512273"	375.14379	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"411960"	345.055188	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"774050"	502.094688	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1670018"	188.015688	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"257635"	692.173768	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1233627"	378.094768	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1718139"	378.118293	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1186774"	127.682218	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1661042"	383.073688	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"168999"	705.07704	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"602000"	1019.15604	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1084444"	390.99804	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"146611"	353.042158	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"583984"	510.081658	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1076151"	196.002658	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1108268"	393.012592	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1341370"	393.100207	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1013179"	397.139376	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1534584"	398.133008	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"993380"	199.073326	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1594444"	399.047628	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1425569"	429.079138	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1158047"	219.586601	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1708691"	446.105685	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1634865"	451.06108	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1575623"	467.03502	"C16753"	"Aflatoxin B2"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"811459"	330.074	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M"	0
"981716"	311.05561	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"69957"	219.042057333333	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"510611"	329.066724	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"890602"	109.017390666667	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"13552"	329.066724	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"454211"	494.103724	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"829825"	164.029724	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"92370"	659.140724	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"526098"	989.214724	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"901712"	329.066724	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"53898"	676.167271	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"492365"	1006.241271	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"870170"	346.093271	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"36976"	681.122666	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"482369"	1011.196666	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"860904"	351.048666	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1630801"	351.048666	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"106965"	347.055063	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"543975"	512.092063	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"936759"	182.018063	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"276409"	695.117402	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"670654"	1025.191402	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1280139"	365.043402	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"28164"	697.096606	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"462255"	1027.170606	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"840057"	367.022606	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1556983"	367.022606	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"942931"	375.072194	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"366363"	705.146201	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"356813"	719.161851	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1506739"	389.087851	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"972094"	397.054151	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"123917"	365.043402	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"561653"	530.080402	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1036167"	200.006402	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1253312"	408.992885	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1317948"	411.048872	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1327789"	433.030829	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"919939"	443.059586	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1296648"	479.036264	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1376995"	295.061324	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1395223"	313.0713	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"293086"	661.155276	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"690247"	991.229276	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1364043"	331.081276	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H"	1.007276
"134744"	331.081276	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"578680"	496.118276	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1051854"	166.044276	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"218911"	221.056609333333	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"653853"	331.081276	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1174164"	111.031942666667	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"434159"	678.181823	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"792968"	1008.255823	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1692578"	348.107823	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"336485"	339.5945495	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"734745"	504.6315495	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1488201"	174.5575495	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"403599"	683.137218	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"766783"	1013.211218	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1612695"	353.063218	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"328455"	342.072247	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"717711"	507.109247	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1475543"	177.035247	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1064055"	118.359256666667	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1266099"	363.107486	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"390139"	699.111158	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"746762"	1029.185158	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1548450"	369.037158	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+K"	38.963158
"310726"	350.059217	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"700233"	515.096217	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1458795"	185.022217	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"244115"	702.181826	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1216823"	372.107826	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1200705"	186.557551	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"192847"	705.11916	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"630211"	1035.19316	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1134092"	375.04516	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"175564"	353.063218	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"620592"	518.100218	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1123002"	188.026218	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1400328"	125.686570666667	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1431711"	377.086746	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"222133"	358.09624	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1511290"	391.13879	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"411341"	361.050188	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"773796"	526.087188	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1670129"	196.013188	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"254827"	724.163768	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1233734"	394.089768	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1720436"	394.113293	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1187978"	133.013884666667	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1656778"	399.068688	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"165828"	737.06704	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"604297"	1067.14104	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1085894"	406.99304	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"150001"	369.037158	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"586282"	534.074158	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1077355"	204.000158	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1111658"	409.007592	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1344761"	409.095207	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1013289"	413.134376	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1531414"	414.128008	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"995677"	207.070826	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1594553"	415.042628	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1423492"	445.074138	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1155970"	227.584101	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1706614"	462.100685	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1634487"	467.05608	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1575733"	483.03002	"C16754"	"Aflatoxin G2"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"813756"	328.0583	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M"	0
"981822"	309.03991	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-H2O-H"	-19.01839
"75533"	217.698257333333	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M-3H"	-3.021828
"514003"	327.051024	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M-3H"	-3.021828
"891806"	108.345490666667	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-3H"	-3.021828
"15569"	327.051024	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M-2H"	-2.014552
"455054"	491.080174	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M-2H"	-2.014552
"832328"	163.021874	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-2H"	-2.014552
"92728"	655.109324	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M-H"	-1.007276
"532775"	983.167624	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M-H"	-1.007276
"902918"	327.051024	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-H"	-1.007276
"62151"	672.135871	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M-2H+NH4"	16.019271
"501104"	1000.194171	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M-2H+NH4"	16.019271
"873560"	344.077571	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-2H+NH4"	16.019271
"43284"	677.091266	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M-2H+Na"	20.974666
"483937"	1005.149566	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M-2H+Na"	20.974666
"859920"	349.032966	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-2H+Na"	20.974666
"1633099"	349.032966	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Na-2H"	20.974666
"108898"	345.039363	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M-H+Cl"	33.962126
"548095"	509.068513	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M-H+Cl"	33.962126
"940515"	181.010213	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-H+Cl"	33.962126
"281623"	691.086002	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+Cl"	34.969402
"674896"	1019.144302	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+Cl"	34.969402
"1283529"	363.027702	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Cl"	34.969402
"29732"	693.065206	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M-2H+K"	36.948606
"468926"	1021.123506	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M-2H+K"	36.948606
"843447"	365.006906	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-2H+K"	36.948606
"1559280"	365.006906	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+K-2H"	36.948606
"944124"	373.056494	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-H+HCOOH"	44.998194
"369753"	701.114801	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+HCOOH-H"	44.998201
"359354"	715.130451	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+Hac-H"	59.013851
"1507823"	387.072151	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Hac-H"	59.013851
"974097"	395.038451	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-H+NaCOOH"	66.980151
"124637"	363.027702	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+2Cl"	69.938804
"564925"	527.056852	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+2Cl"	69.938804
"1037040"	198.998552	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2Cl"	69.938804
"1256218"	406.977185	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Br"	78.918885
"1319398"	409.033172	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Cl+HCOOH"	80.974872
"1334095"	431.015129	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Cl+NaCOOH"	102.956829
"920049"	441.043886	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M-H+CF3COOH"	112.985586
"1297851"	477.020564	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Cl+CF3COOH"	148.962264
"1379291"	293.045624	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H-2H2O"	-35.012676
"1397520"	311.0556	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H-H2O"	-17.0027
"291008"	657.123876	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+H"	1.007276
"686711"	985.182176	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+H"	1.007276
"1364153"	329.065576	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H"	1.007276
"138135"	329.065576	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+2H"	2.014552
"578790"	493.094726	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+2H"	2.014552
"1051968"	165.036426	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2H"	2.014552
"218778"	219.712809333333	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+3H"	3.021828
"653964"	329.065576	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+3H"	3.021828
"1175367"	110.360042666667	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+3H"	3.021828
"434267"	674.150423	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+NH4"	18.033823
"794171"	1002.208723	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+NH4"	18.033823
"1691595"	346.092123	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+NH4"	18.033823
"339875"	337.5788495	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+H+NH4"	19.041099
"736678"	501.6079995	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+H+NH4"	19.041099
"1489770"	173.5496995	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H+NH4"	19.041099
"406261"	679.105818	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+Na"	22.989218
"767623"	1007.164118	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+Na"	22.989218
"1616085"	351.047518	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Na"	22.989218
"328926"	340.056547	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+H+Na"	23.996494
"720008"	504.085697	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+H+Na"	23.996494
"1476261"	176.027397	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H+Na"	23.996494
"1068255"	117.687356666667	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2H+Na"	25.00377
"1271553"	361.091786	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+CH3OH+H"	33.033486
"390244"	695.079758	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+K"	38.963158
"753913"	1023.138058	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+K"	38.963158
"1554387"	367.021458	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+K"	38.963158
"312291"	348.043517	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+H+K"	39.970434
"704712"	512.072667	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+H+K"	39.970434
"1454523"	184.014367	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H+K"	39.970434
"246410"	698.150426	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+ACN+H"	42.033826
"1220211"	370.092126	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+ACN+H"	42.033826
"1203001"	185.549701	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+ACN+2H"	43.041102
"196967"	701.08776	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+2Na-H"	44.97116
"634341"	1029.14606	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+2Na-H"	44.97116
"1134568"	373.02946	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2Na-H"	44.97116
"178954"	351.047518	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+2Na"	45.978436
"620702"	515.076668	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+2Na"	45.978436
"1125299"	187.018368	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2Na"	45.978436
"1403354"	125.014670666667	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H+2Na"	46.985712
"1436564"	375.071046	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H+HCOOH"	47.012746
"221518"	356.08054	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+3H2O+2H"	56.04448
"1514319"	389.12309	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+IsoProp+H"	61.06479
"410725"	359.034488	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+Na+K"	61.952376
"775001"	523.063638	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+Na+K"	61.952376
"1670239"	195.005338	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Na+K"	61.952376
"257854"	720.132368	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+ACN+Na"	64.015768
"1233847"	392.074068	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+ACN+Na"	64.015768
"1724557"	392.097593	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+NH4+HCOOH"	64.039293
"1190275"	132.341984666667	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+3Na"	68.967654
"1657982"	397.052988	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Na+HCOOH"	68.994688
"172138"	733.03564	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+2K-H"	76.91904
"608781"	1061.09394	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+2K-H"	76.91904
"1092202"	404.97734	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2K-H"	76.91904
"150113"	367.021458	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"2M+2K"	77.926316
"586392"	531.050608	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"3M+2K"	77.926316
"1077465"	202.992308	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2K"	77.926316
"1113955"	406.991892	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2K+H"	78.933592
"1347059"	407.079507	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+DMSO+H"	79.021207
"1016679"	411.118676	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2ACN+H"	83.060376
"1534804"	412.112308	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+IsoProp+Na+H"	84.054008
"995787"	206.062976	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+2ACN+2H"	84.067652
"1595757"	413.026928	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+K+HCOOH"	84.968628
"1424695"	443.058438	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+H+CF3COOH"	115.000138
"1158268"	226.576251	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+3ACN+2H"	125.094202
"1708911"	460.084985	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+NH4+CF3COOH"	132.026685
"1634721"	465.04038	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+Na+CF3COOH"	136.98208
"1579123"	481.01432	"C16755"	"Aflatoxin G1"	"C17H12O7"	"328.0583"	"M+K+CF3COOH"	152.95602
"809492"	328.0583	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M"	0
"981932"	309.03991	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-H2O-H"	-19.01839
"74551"	217.698257333333	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M-3H"	-3.021828
"510833"	327.051024	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M-3H"	-3.021828
"890822"	108.345490666667	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-3H"	-3.021828
"13774"	327.051024	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M-2H"	-2.014552
"455246"	491.080174	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M-2H"	-2.014552
"831629"	163.021874	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-2H"	-2.014552
"91132"	655.109324	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M-H"	-1.007276
"528506"	983.167624	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M-H"	-1.007276
"908495"	327.051024	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-H"	-1.007276
"62101"	672.135871	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M-2H+NH4"	16.019271
"502793"	1000.194171	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M-2H+NH4"	16.019271
"879261"	344.077571	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-2H+NH4"	16.019271
"42666"	677.091266	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M-2H+Na"	20.974666
"485508"	1005.149566	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M-2H+Na"	20.974666
"864075"	349.032966	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-2H+Na"	20.974666
"1633939"	349.032966	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Na-2H"	20.974666
"109982"	345.039363	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M-H+Cl"	33.962126
"549543"	509.068513	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M-H+Cl"	33.962126
"940991"	181.010213	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-H+Cl"	33.962126
"276631"	691.086002	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+Cl"	34.969402
"674155"	1019.144302	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+Cl"	34.969402
"1286195"	363.027702	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Cl"	34.969402
"27292"	693.065206	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M-2H+K"	36.948606
"465756"	1021.123506	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M-2H+K"	36.948606
"845743"	365.006906	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-2H+K"	36.948606
"1562671"	365.006906	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+K-2H"	36.948606
"947273"	373.056494	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-H+HCOOH"	44.998194
"370957"	701.114801	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+HCOOH-H"	44.998201
"360556"	715.130451	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+Hac-H"	59.013851
"1505863"	387.072151	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Hac-H"	59.013851
"972309"	395.038451	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-H+NaCOOH"	66.980151
"117938"	363.027702	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+2Cl"	69.938804
"564061"	527.056852	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+2Cl"	69.938804
"1035047"	198.998552	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2Cl"	69.938804
"1252438"	406.977185	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Br"	78.918885
"1319467"	409.033172	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Cl+HCOOH"	80.974872
"1331290"	431.015129	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Cl+NaCOOH"	102.956829
"920161"	441.043886	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M-H+CF3COOH"	112.985586
"1291766"	477.020564	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Cl+CF3COOH"	148.962264
"1377217"	293.045624	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H-2H2O"	-35.012676
"1390340"	311.0556	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H-H2O"	-17.0027
"293307"	657.123876	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+H"	1.007276
"687916"	985.182176	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+H"	1.007276
"1366739"	329.065576	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H"	1.007276
"141387"	329.065576	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+2H"	2.014552
"578900"	493.094726	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+2H"	2.014552
"1049889"	165.036426	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2H"	2.014552
"213417"	219.712809333333	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+3H"	3.021828
"652980"	329.065576	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+3H"	3.021828
"1171104"	110.360042666667	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+3H"	3.021828
"433284"	674.150423	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+NH4"	18.033823
"796470"	1002.208723	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+NH4"	18.033823
"1688425"	346.092123	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+NH4"	18.033823
"337798"	337.5788495	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+H+NH4"	19.041099
"731315"	501.6079995	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+H+NH4"	19.041099
"1490608"	173.5496995	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H+NH4"	19.041099
"407101"	679.105818	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+Na"	22.989218
"764820"	1007.164118	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+Na"	22.989218
"1615106"	351.047518	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Na"	22.989218
"327331"	340.056547	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+H+Na"	23.996494
"718659"	504.085697	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+H+Na"	23.996494
"1476696"	176.027397	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H+Na"	23.996494
"1067550"	117.687356666667	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2H+Na"	25.00377
"1272147"	361.091786	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+CH3OH+H"	33.033486
"392820"	695.079758	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+K"	38.963158
"753741"	1023.138058	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+K"	38.963158
"1553401"	367.021458	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+K"	38.963158
"312647"	348.043517	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+H+K"	39.970434
"705797"	512.072667	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+H+K"	39.970434
"1457915"	184.014367	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H+K"	39.970434
"247614"	698.150426	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+ACN+H"	42.033826
"1222508"	370.092126	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+ACN+H"	42.033826
"1198374"	185.549701	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+ACN+2H"	43.041102
"201451"	701.08776	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+2Na-H"	44.97116
"634451"	1029.14606	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+2Na-H"	44.97116
"1135771"	373.02946	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2Na-H"	44.97116
"179064"	351.047518	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+2Na"	45.978436
"618624"	515.076668	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+2Na"	45.978436
"1123224"	187.018368	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2Na"	45.978436
"1403465"	125.014670666667	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H+2Na"	46.985712
"1442144"	375.071046	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H+HCOOH"	47.012746
"227462"	356.08054	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+3H2O+2H"	56.04448
"1513337"	389.12309	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+IsoProp+H"	61.06479
"413023"	359.034488	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+Na+K"	61.952376
"773654"	523.063638	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+Na+K"	61.952376
"1674726"	195.005338	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Na+K"	61.952376
"261247"	720.132368	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+ACN+Na"	64.015768
"1237238"	392.074068	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+ACN+Na"	64.015768
"1720657"	392.097593	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+NH4+HCOOH"	64.039293
"1191479"	132.341984666667	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+3Na"	68.967654
"1658091"	397.052988	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Na+HCOOH"	68.994688
"164952"	733.03564	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+2K-H"	76.91904
"611079"	1061.09394	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+2K-H"	76.91904
"1095591"	404.97734	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2K-H"	76.91904
"153502"	367.021458	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"2M+2K"	77.926316
"587595"	531.050608	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"3M+2K"	77.926316
"1078668"	202.992308	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2K"	77.926316
"1110782"	406.991892	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2K+H"	78.933592
"1344981"	407.079507	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+DMSO+H"	79.021207
"1015698"	411.118676	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2ACN+H"	83.060376
"1533825"	412.112308	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+IsoProp+Na+H"	84.054008
"1001365"	206.062976	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+2ACN+2H"	84.067652
"1596961"	413.026928	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+K+HCOOH"	84.968628
"1420435"	443.058438	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+H+CF3COOH"	115.000138
"1156190"	226.576251	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+3ACN+2H"	125.094202
"1701366"	460.084985	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+NH4+CF3COOH"	132.026685
"1634830"	465.04038	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+Na+CF3COOH"	136.98208
"1579233"	481.01432	"C16756"	"Aflatoxin M1"	"C17H12O7"	"328.0583"	"M+K+CF3COOH"	152.95602
"811789"	234.0207	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M"	0
"984229"	215.00231	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H2O-H"	-19.01839
"68096"	155.006524	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-3H"	-3.021828
"510942"	233.013424	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-3H"	-3.021828
"888744"	76.999624	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-3H"	-3.021828
"10600"	233.013424	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H"	-2.014552
"452349"	350.023774	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H"	-2.014552
"832466"	116.003074	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H"	-2.014552
"92335"	467.034124	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-H"	-1.007276
"532870"	701.054824	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-H"	-1.007276
"910187"	233.013424	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H"	-1.007276
"62576"	484.060671	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H+NH4"	16.019271
"502461"	718.081371	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H+NH4"	16.019271
"879705"	250.039971	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H+NH4"	16.019271
"45936"	489.016066	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H+Na"	20.974666
"486960"	723.036766	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H+Na"	20.974666
"863992"	254.995366	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H+Na"	20.974666
"1634013"	254.995366	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na-2H"	20.974666
"109733"	251.001763	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-H+Cl"	33.962126
"547951"	368.012113	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-H+Cl"	33.962126
"939277"	133.991413	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+Cl"	33.962126
"275648"	503.010802	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Cl"	34.969402
"674144"	737.031502	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+Cl"	34.969402
"1286669"	268.990102	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl"	34.969402
"26309"	504.990006	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H+K"	36.948606
"469146"	739.010706	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H+K"	36.948606
"845854"	270.969306	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H+K"	36.948606
"1562781"	270.969306	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+K-2H"	36.948606
"947383"	279.018894	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+HCOOH"	44.998194
"371067"	513.039601	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+HCOOH-H"	44.998201
"360058"	527.055251	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Hac-H"	59.013851
"1504881"	293.034551	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Hac-H"	59.013851
"972056"	301.000851	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+NaCOOH"	66.980151
"120235"	268.990102	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2Cl"	69.938804
"563443"	386.000452	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2Cl"	69.938804
"1034063"	151.979752	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2Cl"	69.938804
"1252548"	312.939585	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Br"	78.918885
"1317184"	314.995572	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl+HCOOH"	80.974872
"1331400"	336.977529	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl+NaCOOH"	102.956829
"919178"	347.006286	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+CF3COOH"	112.985586
"1294792"	382.982964	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl+CF3COOH"	148.962264
"1374047"	199.008024	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H-2H2O"	-35.012676
"1390449"	217.018	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H-H2O"	-17.0027
"286855"	469.048676	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H"	1.007276
"688026"	703.069376	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H"	1.007276
"1365834"	235.027976	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H"	1.007276
"141155"	235.027976	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2H"	2.014552
"579010"	352.038326	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2H"	2.014552
"1045626"	118.017626	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2H"	2.014552
"212435"	157.021076	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+3H"	3.021828
"649810"	235.027976	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+3H"	3.021828
"1167934"	79.014176	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+3H"	3.021828
"434488"	486.075223	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+NH4"	18.033823
"796580"	720.095923	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+NH4"	18.033823
"1688535"	252.054523	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+NH4"	18.033823
"336814"	243.5412495	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H+NH4"	19.041099
"728146"	360.5515995	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H+NH4"	19.041099
"1488168"	126.5308995	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+NH4"	19.041099
"403932"	491.030618	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Na"	22.989218
"766023"	725.051318	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+Na"	22.989218
"1614123"	257.009918	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na"	22.989218
"327441"	246.018947	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H+Na"	23.996494
"717675"	363.029297	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H+Na"	23.996494
"1476600"	129.008597	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+Na"	23.996494
"1066931"	86.34149	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2H+Na"	25.00377
"1271889"	267.054186	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+CH3OH+H"	33.033486
"389370"	507.004558	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+K"	38.963158
"751095"	741.025258	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+K"	38.963158
"1553144"	272.983858	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+K"	38.963158
"306310"	254.005917	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H+K"	39.970434
"700920"	371.016267	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H+K"	39.970434
"1456929"	136.995567	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+K"	39.970434
"249546"	510.075226	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+ACN+H"	42.033826
"1224441"	276.054526	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+ACN+H"	42.033826
"1201035"	138.530901	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+ACN+2H"	43.041102
"201559"	513.01256	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2Na-H"	44.97116
"636747"	747.03326	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2Na-H"	44.97116
"1136974"	278.99186	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2Na-H"	44.97116
"176985"	257.009918	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2Na"	45.978436
"620919"	374.020268	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2Na"	45.978436
"1121143"	139.999568	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2Na"	45.978436
"1401386"	93.668804	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+2Na"	46.985712
"1430827"	281.033446	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+HCOOH"	47.012746
"222468"	262.04294	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+3H2O+2H"	56.04448
"1513447"	295.08549	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+IsoProp+H"	61.06479
"410581"	264.996888	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Na+K"	61.952376
"773036"	382.007238	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+Na+K"	61.952376
"1673743"	147.986538	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na+K"	61.952376
"260264"	532.057168	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+ACN+Na"	64.015768
"1236255"	298.036468	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+ACN+Na"	64.015768
"1722954"	298.059993	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+NH4+HCOOH"	64.039293
"1192683"	100.996118	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+3Na"	68.967654
"1659295"	303.015388	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na+HCOOH"	68.994688
"165063"	544.96044	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2K-H"	76.91904
"611679"	778.98114	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2K-H"	76.91904
"1096797"	310.93974	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2K-H"	76.91904
"153613"	272.983858	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2K"	77.926316
"589893"	389.994208	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2K"	77.926316
"1080965"	155.973508	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2K"	77.926316
"1114903"	312.954292	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2K+H"	78.933592
"1346184"	313.041907	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+DMSO+H"	79.021207
"1017995"	317.081076	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2ACN+H"	83.060376
"1535029"	318.074708	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+IsoProp+Na+H"	84.054008
"997100"	159.044176	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2ACN+2H"	84.067652
"1597070"	318.989328	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+K+HCOOH"	84.968628
"1420544"	349.020838	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+CF3COOH"	115.000138
"1159580"	179.557451	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+3ACN+2H"	125.094202
"1701476"	366.047385	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+NH4+CF3COOH"	132.026685
"1634941"	371.00278	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na+CF3COOH"	136.98208
"1579343"	386.97672	"C16757"	"(Z)-Ajoene"	"C9H14OS3"	"234.0207"	"M+K+CF3COOH"	152.95602
"811899"	234.0207	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M"	0
"984339"	215.00231	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H2O-H"	-19.01839
"69300"	155.006524	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-3H"	-3.021828
"511053"	233.013424	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-3H"	-3.021828
"888855"	76.999624	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-3H"	-3.021828
"10710"	233.013424	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H"	-2.014552
"451364"	350.023774	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H"	-2.014552
"825886"	116.003074	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H"	-2.014552
"86973"	467.034124	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-H"	-1.007276
"533098"	701.054824	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-H"	-1.007276
"910781"	233.013424	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H"	-1.007276
"56527"	484.060671	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H+NH4"	16.019271
"500461"	718.081371	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H+NH4"	16.019271
"879358"	250.039971	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H+NH4"	16.019271
"44709"	489.016066	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H+Na"	20.974666
"486908"	723.036766	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H+Na"	20.974666
"864197"	254.995366	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H+Na"	20.974666
"1634082"	254.995366	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na-2H"	20.974666
"109684"	251.001763	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-H+Cl"	33.962126
"548061"	368.012113	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-H+Cl"	33.962126
"940481"	133.991413	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+Cl"	33.962126
"273571"	503.010802	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Cl"	34.969402
"672188"	737.031502	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+Cl"	34.969402
"1286779"	268.990102	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl"	34.969402
"24232"	504.990006	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M-2H+K"	36.948606
"467070"	739.010706	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M-2H+K"	36.948606
"845964"	270.969306	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-2H+K"	36.948606
"1562891"	270.969306	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+K-2H"	36.948606
"947493"	279.018894	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+HCOOH"	44.998194
"370084"	513.039601	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+HCOOH-H"	44.998201
"358344"	527.055251	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Hac-H"	59.013851
"1504990"	293.034551	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Hac-H"	59.013851
"972529"	301.000851	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+NaCOOH"	66.980151
"122897"	268.990102	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2Cl"	69.938804
"563188"	386.000452	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2Cl"	69.938804
"1033080"	151.979752	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2Cl"	69.938804
"1255575"	312.939585	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Br"	78.918885
"1317659"	314.995572	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl+HCOOH"	80.974872
"1332602"	336.977529	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl+NaCOOH"	102.956829
"917099"	347.006286	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M-H+CF3COOH"	112.985586
"1299275"	382.982964	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Cl+CF3COOH"	148.962264
"1377437"	199.008024	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H-2H2O"	-35.012676
"1393839"	217.018	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H-H2O"	-17.0027
"284779"	469.048676	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H"	1.007276
"678294"	703.069376	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H"	1.007276
"1364484"	235.027976	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H"	1.007276
"139197"	235.027976	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2H"	2.014552
"575839"	352.038326	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2H"	2.014552
"1049746"	118.017626	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2H"	2.014552
"218620"	157.021076	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+3H"	3.021828
"649920"	235.027976	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+3H"	3.021828
"1166221"	79.014176	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+3H"	3.021828
"434598"	486.075223	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+NH4"	18.033823
"795597"	720.095923	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+NH4"	18.033823
"1686458"	252.054523	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+NH4"	18.033823
"336924"	243.5412495	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H+NH4"	19.041099
"727163"	360.5515995	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H+NH4"	19.041099
"1488642"	126.5308995	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+NH4"	19.041099
"404042"	491.030618	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Na"	22.989218
"766133"	725.051318	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+Na"	22.989218
"1614233"	257.009918	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na"	22.989218
"322083"	246.018947	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H+Na"	23.996494
"716692"	363.029297	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H+Na"	23.996494
"1474524"	129.008597	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+Na"	23.996494
"1064854"	86.34149	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2H+Na"	25.00377
"1272569"	267.054186	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+CH3OH+H"	33.033486
"390573"	507.004558	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+K"	38.963158
"749383"	741.025258	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+K"	38.963158
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"306420"	254.005917	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+H+K"	39.970434
"699938"	371.016267	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+H+K"	39.970434
"1454853"	136.995567	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+K"	39.970434
"244552"	510.075226	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+ACN+H"	42.033826
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"1203332"	138.530901	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+ACN+2H"	43.041102
"199484"	513.01256	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2Na-H"	44.97116
"639044"	747.03326	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2Na-H"	44.97116
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"178189"	257.009918	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2Na"	45.978436
"615562"	374.020268	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2Na"	45.978436
"1119067"	139.999568	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2Na"	45.978436
"1403684"	93.668804	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+2Na"	46.985712
"1430694"	281.033446	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+HCOOH"	47.012746
"220750"	262.04294	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+3H2O+2H"	56.04448
"1508584"	295.08549	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+IsoProp+H"	61.06479
"408987"	264.996888	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+Na+K"	61.952376
"775333"	382.007238	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+Na+K"	61.952376
"1670573"	147.986538	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na+K"	61.952376
"261832"	532.057168	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+ACN+Na"	64.015768
"1235272"	298.036468	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+ACN+Na"	64.015768
"1721242"	298.059993	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+NH4+HCOOH"	64.039293
"1193766"	100.996118	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+3Na"	68.967654
"1658312"	303.015388	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na+HCOOH"	68.994688
"167360"	544.96044	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2K-H"	76.91904
"612395"	778.98114	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2K-H"	76.91904
"1099096"	310.93974	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2K-H"	76.91904
"154815"	272.983858	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"2M+2K"	77.926316
"590003"	389.994208	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"3M+2K"	77.926316
"1082169"	155.973508	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2K"	77.926316
"1114283"	312.954292	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2K+H"	78.933592
"1344107"	313.041907	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+DMSO+H"	79.021207
"1015919"	317.081076	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2ACN+H"	83.060376
"1535138"	318.074708	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+IsoProp+Na+H"	84.054008
"999397"	159.044176	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+2ACN+2H"	84.067652
"1597180"	318.989328	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+K+HCOOH"	84.968628
"1422840"	349.020838	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+H+CF3COOH"	115.000138
"1156409"	179.557451	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+3ACN+2H"	125.094202
"1703773"	366.047385	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+NH4+CF3COOH"	132.026685
"1636145"	371.00278	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+Na+CF3COOH"	136.98208
"1579453"	386.97672	"C16758"	"(E)-Ajoene"	"C9H14OS3"	"234.0207"	"M+K+CF3COOH"	152.95602
"812009"	161.051	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M"	0
"980075"	142.03261	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-H2O-H"	-19.01839
"67223"	106.360057333333	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M-3H"	-3.021828
"511163"	160.043724	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M-3H"	-3.021828
"888965"	52.6763906666667	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-3H"	-3.021828
"8633"	160.043724	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M-2H"	-2.014552
"447100"	240.569224	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M-2H"	-2.014552
"822716"	79.518224	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-2H"	-2.014552
"81614"	321.094724	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M-H"	-1.007276
"531875"	482.145724	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M-H"	-1.007276
"907732"	160.043724	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-H"	-1.007276
"57731"	338.121271	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M-2H+NH4"	16.019271
"499114"	499.172271	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M-2H+NH4"	16.019271
"878863"	177.070271	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-2H+NH4"	16.019271
"44697"	343.076666	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M-2H+Na"	20.974666
"486203"	504.127666	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M-2H+Na"	20.974666
"863277"	182.025666	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-2H+Na"	20.974666
"1632691"	182.025666	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Na-2H"	20.974666
"109102"	178.032063	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M-H+Cl"	33.962126
"547078"	258.557563	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M-H+Cl"	33.962126
"939135"	97.506563	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-H+Cl"	33.962126
"275868"	357.071402	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+Cl"	34.969402
"669381"	518.122402	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+Cl"	34.969402
"1281786"	196.020402	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Cl"	34.969402
"23248"	359.050606	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M-2H+K"	36.948606
"467180"	520.101606	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M-2H+K"	36.948606
"844981"	197.999606	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-2H+K"	36.948606
"1563001"	197.999606	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+K-2H"	36.948606
"947603"	206.049194	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-H+HCOOH"	44.998194
"368007"	367.100201	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+HCOOH-H"	44.998201
"356266"	381.115851	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+Hac-H"	59.013851
"1504737"	220.064851	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Hac-H"	59.013851
"970452"	228.031151	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-H+NaCOOH"	66.980151
"120453"	196.020402	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+2Cl"	69.938804
"562933"	276.545902	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+2Cl"	69.938804
"1032826"	115.494902	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2Cl"	69.938804
"1254957"	239.969885	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Br"	78.918885
"1316676"	242.025872	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Cl+HCOOH"	80.974872
"1332712"	264.007829	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Cl+NaCOOH"	102.956829
"917209"	274.036586	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M-H+CF3COOH"	112.985586
"1299385"	310.013264	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Cl+CF3COOH"	148.962264
"1377547"	126.038324	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H-2H2O"	-35.012676
"1393949"	144.0483	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H-H2O"	-17.0027
"285131"	323.109276	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+H"	1.007276
"678404"	484.160276	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+H"	1.007276
"1364594"	162.058276	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H"	1.007276
"138943"	162.058276	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+2H"	2.014552
"577043"	242.583776	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+2H"	2.014552
"1047669"	81.532776	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2H"	2.014552
"217394"	108.374609333333	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+3H"	3.021828
"646750"	162.058276	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+3H"	3.021828
"1165967"	54.6909426666667	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+3H"	3.021828
"430334"	340.135823	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+NH4"	18.033823
"794614"	501.186823	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+NH4"	18.033823
"1684382"	179.084823	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+NH4"	18.033823
"333754"	170.5715495	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+H+NH4"	19.041099
"727273"	251.0970495	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+H+NH4"	19.041099
"1488750"	90.0460495	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H+NH4"	19.041099
"404152"	345.091218	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+Na"	22.989218
"765147"	506.142218	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+Na"	22.989218
"1609965"	184.040218	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Na"	22.989218
"322193"	173.049247	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+H+Na"	23.996494
"713522"	253.574747	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+H+Na"	23.996494
"1474998"	92.523747	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H+Na"	23.996494
"1063870"	62.0182566666667	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2H+Na"	25.00377
"1271625"	194.084486	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+CH3OH+H"	33.033486
"389590"	361.065158	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+K"	38.963158
"749493"	522.116158	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+K"	38.963158
"1549356"	200.014158	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+K"	38.963158
"304708"	181.036217	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+H+K"	39.970434
"698954"	261.561717	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+H+K"	39.970434
"1453870"	100.510717	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H+K"	39.970434
"241381"	364.135826	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+ACN+H"	42.033826
"1218463"	203.084826	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+ACN+H"	42.033826
"1200162"	102.046051	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+ACN+2H"	43.041102
"198499"	367.07316	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+2Na-H"	44.97116
"635874"	528.12416	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+2Na-H"	44.97116
"1140474"	206.02216	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2Na-H"	44.97116
"179392"	184.040218	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+2Na"	45.978436
"616765"	264.565718	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+2Na"	45.978436
"1119177"	103.514718	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2Na"	45.978436
"1403794"	69.3455706666667	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H+2Na"	46.985712
"1430804"	208.063746	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H+HCOOH"	47.012746
"221709"	189.07324	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+3H2O+2H"	56.04448
"1508710"	222.11579	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+IsoProp+H"	61.06479
"409457"	192.027188	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+Na+K"	61.952376
"772890"	272.552688	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+Na+K"	61.952376
"1672869"	111.501688	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Na+K"	61.952376
"258297"	386.117768	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+ACN+Na"	64.015768
"1235381"	225.066768	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+ACN+Na"	64.015768
"1721352"	225.090293	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+NH4+HCOOH"	64.039293
"1190716"	76.6728846666667	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+3Na"	68.967654
"1660609"	230.045688	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Na+HCOOH"	68.994688
"167470"	399.02104	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+2K-H"	76.91904
"611286"	560.07204	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+2K-H"	76.91904
"1097865"	237.97004	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2K-H"	76.91904
"153832"	200.014158	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"2M+2K"	77.926316
"593392"	280.539658	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"3M+2K"	77.926316
"1080092"	119.488658	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2K"	77.926316
"1111112"	239.984592	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2K+H"	78.933592
"1344218"	240.072207	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+DMSO+H"	79.021207
"1017122"	244.111376	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2ACN+H"	83.060376
"1536341"	245.105008	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+IsoProp+Na+H"	84.054008
"999507"	122.559326	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+2ACN+2H"	84.067652
"1596197"	246.019628	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+K+HCOOH"	84.968628
"1427323"	276.051138	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+H+CF3COOH"	115.000138
"1151051"	143.072601	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+3ACN+2H"	125.094202
"1703883"	293.077685	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+NH4+CF3COOH"	132.026685
"1636255"	298.03308	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+Na+CF3COOH"	136.98208
"1579563"	314.00702	"C16759"	"S-Allyl-L-cysteine"	"C6H11NO2S"	"161.051"	"M+K+CF3COOH"	152.95602
"815399"	256.0736	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M"	0
"987840"	237.05521	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"72799"	169.708457333333	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"509086"	255.066324	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"890168"	84.3505906666667	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"8743"	255.066324	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"448303"	383.103124	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"826105"	127.029524	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"81723"	511.139924	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"533199"	767.213524	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"910028"	255.066324	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"59664"	528.166471	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"500441"	784.240071	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"878365"	272.092871	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"43835"	533.121866	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"485826"	789.195466	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"862902"	277.048266	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1632197"	277.048266	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"108241"	273.054663	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"545001"	401.091463	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"938516"	145.017863	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"273791"	547.116602	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"672771"	803.190202	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1282989"	291.043002	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"21171"	549.095806	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"462916"	805.169406	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"845091"	293.022206	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1562018"	293.022206	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"949900"	301.071794	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"367024"	557.145401	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"357835"	571.161051	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1505210"	315.087451	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"969469"	323.053751	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"118377"	291.043002	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"564136"	419.079802	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1033300"	163.006202	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1255796"	334.992485	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1317879"	337.048472	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1332822"	359.030429	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"917319"	369.059186	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1299495"	405.035864	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1377658"	221.060924	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1395518"	239.0709	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"291559"	513.154476	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"676569"	769.228076	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1361424"	257.080876	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"137593"	257.080876	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"578246"	385.117676	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1048872"	129.044076	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"218233"	171.723009333333	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"649046"	257.080876	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1166441"	86.3651426666667	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"430444"	530.181023	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"794724"	786.254623	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1687771"	274.107423	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"337143"	265.5941495	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"727747"	393.6309495	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1488859"	137.5573495	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"404262"	535.136418	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"761976"	791.210018	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1608980"	279.062818	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"323394"	268.071847	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"713632"	396.108647	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1476079"	140.035047	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1067504"	93.6924566666667	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1272469"	289.107086	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"390793"	551.110358	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"749603"	807.183958	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1550560"	295.036758	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"305548"	276.058817	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"697242"	404.095617	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1452887"	148.022017	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"246959"	554.181026	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1222949"	298.107426	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1205741"	149.557351	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"198610"	557.11836	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"632703"	813.19196	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1137305"	301.04476	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"180597"	279.062818	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"619063"	407.099618	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1122205"	151.026018	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1404998"	101.019770666667	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1432371"	303.086346	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"222062"	284.09584	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1510488"	317.13839	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"411274"	287.049788	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"775917"	415.086588	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1671886"	159.012988	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"259501"	576.162968	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1232210"	320.089368	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1722191"	320.112893	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1193016"	108.347084666667	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1665216"	325.068288	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"171958"	589.06624	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"612370"	845.13984	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1099069"	332.99264	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"153943"	295.036758	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"595449"	423.073558	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1081296"	166.999958	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1111223"	335.007192	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1349674"	335.094807	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1017233"	339.133976	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1538516"	340.127608	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"1003992"	170.070626	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1601776"	341.042228	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1429381"	371.073738	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1157721"	190.583901	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1703993"	388.100285	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1638551"	393.05568	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1579673"	409.02962	"C16760"	"Aloe emodin anthrone"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"813323"	783.1235	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M"	0
"987950"	764.10511	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-H2O-H"	-19.01839
"76194"	521.075057333333	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M-3H"	-3.021828
"512477"	782.116224	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M-3H"	-3.021828
"890278"	260.033890666667	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-3H"	-3.021828
"9948"	782.116224	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M-2H"	-2.014552
"454612"	1173.677974	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M-2H"	-2.014552
"828405"	390.554474	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-2H"	-2.014552
"88396"	1565.239724	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M-H"	-1.007276
"530880"	2348.363224	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M-H"	-1.007276
"911031"	782.116224	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-H"	-1.007276
"60138"	1582.266271	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M-2H+NH4"	16.019271
"501644"	2365.389771	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M-2H+NH4"	16.019271
"878352"	799.142771	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-2H+NH4"	16.019271
"45404"	1587.221666	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M-2H+Na"	20.974666
"484603"	2370.345166	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M-2H+Na"	20.974666
"863133"	804.098166	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-2H+Na"	20.974666
"1630115"	804.098166	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Na-2H"	20.974666
"105549"	800.104563	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M-H+Cl"	33.962126
"541830"	1191.666313	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M-H+Cl"	33.962126
"934251"	408.542813	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-H+Cl"	33.962126
"278274"	1601.216402	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+Cl"	34.969402
"667414"	2384.339902	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+Cl"	34.969402
"1279818"	818.092902	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Cl"	34.969402
"21280"	1603.195606	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M-2H+K"	36.948606
"471354"	2386.319106	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M-2H+K"	36.948606
"841923"	820.072106	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-2H+K"	36.948606
"1566503"	820.072106	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+K-2H"	36.948606
"952198"	828.121694	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-H+HCOOH"	44.998194
"376498"	1611.245201	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+HCOOH-H"	44.998201
"357945"	1625.260851	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+Hac-H"	59.013851
"1506412"	842.137351	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Hac-H"	59.013851
"973470"	850.103651	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-H+NaCOOH"	66.980151
"122863"	818.092902	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+2Cl"	69.938804
"564246"	1209.654652	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+2Cl"	69.938804
"1030131"	426.531152	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2Cl"	69.938804
"1255541"	862.042385	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Br"	78.918885
"1319083"	864.098372	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Cl+HCOOH"	80.974872
"1334392"	886.080329	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Cl+NaCOOH"	102.956829
"924721"	896.109086	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M-H+CF3COOH"	112.985586
"1299607"	932.085764	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Cl+CF3COOH"	148.962264
"1377768"	748.110824	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H-2H2O"	-35.012676
"1396724"	766.1208	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H-H2O"	-17.0027
"286203"	1567.254276	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+H"	1.007276
"685184"	2350.377776	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+H"	1.007276
"1362627"	784.130776	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H"	1.007276
"137339"	784.130776	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+2H"	2.014552
"577999"	1175.692526	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+2H"	2.014552
"1050079"	392.569026	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2H"	2.014552
"213969"	523.089609333333	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+3H"	3.021828
"649156"	784.130776	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+3H"	3.021828
"1173845"	262.048442666667	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+3H"	3.021828
"431648"	1584.280823	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+NH4"	18.033823
"797751"	2367.404323	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+NH4"	18.033823
"1691162"	801.157323	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+NH4"	18.033823
"339440"	792.6440495	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+H+NH4"	19.041099
"734055"	1184.2057995	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+H+NH4"	19.041099
"1484596"	401.0822995	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H+NH4"	19.041099
"404736"	1589.236218	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+Na"	22.989218
"766460"	2372.359718	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+Na"	22.989218
"1611278"	806.112718	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Na"	22.989218
"323503"	795.121747	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+H+Na"	23.996494
"714835"	1186.683497	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+H+Na"	23.996494
"1476310"	403.559997	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H+Na"	23.996494
"1066275"	269.375756666667	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2H+Na"	25.00377
"1271966"	816.156986	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+CH3OH+H"	33.033486
"388719"	1605.210158	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+K"	38.963158
"749714"	2388.333658	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+K"	38.963158
"1550671"	822.086658	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+K"	38.963158
"306753"	803.108717	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+H+K"	39.970434
"695896"	1194.670467	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+H+K"	39.970434
"1457374"	411.546967	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H+K"	39.970434
"240141"	1608.280826	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+ACN+H"	42.033826
"1223059"	825.157326	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+ACN+H"	42.033826
"1201476"	413.082301	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+ACN+2H"	43.041102
"195440"	1611.21816	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+2Na-H"	44.97116
"633910"	2394.34166	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+2Na-H"	44.97116
"1142883"	828.09466	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2Na-H"	44.97116
"179611"	806.112718	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+2Na"	45.978436
"619170"	1197.674468	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+2Na"	45.978436
"1122676"	414.550968	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2Na"	45.978436
"1407293"	276.703070666667	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H+2Na"	46.985712
"1431748"	830.136246	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H+HCOOH"	47.012746
"221814"	811.14574	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+3H2O+2H"	56.04448
"1510239"	844.18829	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+IsoProp+H"	61.06479
"413575"	814.099688	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+Na+K"	61.952376
"775663"	1205.661438	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+Na+K"	61.952376
"1673088"	422.537938	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Na+K"	61.952376
"263256"	1630.262768	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+ACN+Na"	64.015768
"1235600"	847.139268	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+ACN+Na"	64.015768
"1722300"	847.162793	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+NH4+HCOOH"	64.039293
"1188750"	284.030384666667	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+3Na"	68.967654
"1661922"	852.118188	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Na+HCOOH"	68.994688
"168783"	1643.16604	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+2K-H"	76.91904
"612320"	2426.28954	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+2K-H"	76.91904
"1099305"	860.04254	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2K-H"	76.91904
"154053"	822.086658	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"2M+2K"	77.926316
"590334"	1213.648408	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"3M+2K"	77.926316
"1081405"	430.524908	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2K"	77.926316
"1110242"	862.057092	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2K+H"	78.933592
"1346626"	862.144707	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+DMSO+H"	79.021207
"1014062"	866.183876	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2ACN+H"	83.060376
"1538746"	867.177508	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+IsoProp+Na+H"	84.054008
"1003737"	433.595576	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+2ACN+2H"	84.067652
"1599699"	868.092128	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+K+HCOOH"	84.968628
"1427179"	898.123638	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+H+CF3COOH"	115.000138
"1161115"	454.108851	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+3ACN+2H"	125.094202
"1710667"	915.150185	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+NH4+CF3COOH"	132.026685
"1639752"	920.10558	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+Na+CF3COOH"	136.98208
"1579783"	936.07952	"C16761"	"Neosurugatoxin"	"C30H34BrN5O15"	"783.1235"	"M+K+CF3COOH"	152.95602
"814528"	1110.5763	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M"	0
"984783"	1091.55791	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-H2O-H"	-19.01839
"69744"	739.376924	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M-3H"	-3.021828
"510399"	1109.569024	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M-3H"	-3.021828
"886015"	369.184824	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-3H"	-3.021828
"10057"	1109.569024	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M-2H"	-2.014552
"454358"	1664.857174	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M-2H"	-2.014552
"823046"	554.280874	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-2H"	-2.014552
"93855"	2220.145324	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M-H"	-1.007276
"531717"	3330.721624	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M-H"	-1.007276
"906970"	1109.569024	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-H"	-1.007276
"61341"	2237.171871	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M-2H+NH4"	16.019271
"501995"	3347.748171	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M-2H+NH4"	16.019271
"876519"	1126.595571	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-2H+NH4"	16.019271
"44784"	2242.127266	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M-2H+Na"	20.974666
"485440"	3352.703566	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M-2H+Na"	20.974666
"859598"	1131.550966	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-2H+Na"	20.974666
"1630226"	1131.550966	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Na-2H"	20.974666
"105660"	1127.557363	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M-H+Cl"	33.962126
"543035"	1682.845513	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M-H+Cl"	33.962126
"934363"	572.269213	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-H+Cl"	33.962126
"274013"	2256.122002	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+Cl"	34.969402
"670805"	3366.698302	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+Cl"	34.969402
"1284302"	1145.545702	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Cl"	34.969402
"24670"	2258.101206	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M-2H+K"	36.948606
"468603"	3368.677506	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M-2H+K"	36.948606
"839845"	1147.524906	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-2H+K"	36.948606
"1567704"	1147.524906	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+K-2H"	36.948606
"949029"	1155.574494	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-H+HCOOH"	44.998194
"370526"	2266.150801	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+HCOOH-H"	44.998201
"355504"	2280.166451	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+Hac-H"	59.013851
"1503242"	1169.590151	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Hac-H"	59.013851
"965315"	1177.556451	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-H+NaCOOH"	66.980151
"121878"	1145.545702	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+2Cl"	69.938804
"563628"	1700.833852	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+2Cl"	69.938804
"1034613"	590.257552	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2Cl"	69.938804
"1254191"	1189.495185	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Br"	78.918885
"1315546"	1191.551172	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Cl+HCOOH"	80.974872
"1334138"	1213.533129	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Cl+NaCOOH"	102.956829
"920820"	1223.561886	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M-H+CF3COOH"	112.985586
"1296433"	1259.538564	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Cl+CF3COOH"	148.962264
"1377875"	1075.563624	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H-2H2O"	-35.012676
"1394279"	1093.5736	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H-H2O"	-17.0027
"296520"	2222.159876	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+H"	1.007276
"685295"	3332.736176	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+H"	1.007276
"1365653"	1111.583576	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H"	1.007276
"137813"	1111.583576	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+2H"	2.014552
"577380"	1666.871726	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+2H"	2.014552
"1049826"	556.295426	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2H"	2.014552
"215903"	741.391476	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+3H"	3.021828
"653641"	1111.583576	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+3H"	3.021828
"1167393"	371.199376	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+3H"	3.021828
"432852"	2239.186423	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+NH4"	18.033823
"793849"	3349.762723	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+NH4"	18.033823
"1687993"	1128.610123	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+NH4"	18.033823
"334085"	1120.0968495	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+H+NH4"	19.041099
"725052"	1675.3849995	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+H+NH4"	19.041099
"1481425"	564.8086995	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H+NH4"	19.041099
"401199"	2244.141818	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+Na"	22.989218
"760009"	3354.718118	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+Na"	22.989218
"1605921"	1133.565518	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Na"	22.989218
"323613"	1122.574547	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+H+Na"	23.996494
"717132"	1677.862697	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+H+Na"	23.996494
"1472046"	567.286397	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H+Na"	23.996494
"1065291"	378.52669	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2H+Na"	25.00377
"1270251"	1143.609786	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+CH3OH+H"	33.033486
"388831"	2260.115758	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+K"	38.963158
"748367"	3370.692058	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+K"	38.963158
"1550780"	1149.539458	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+K"	38.963158
"306863"	1130.561517	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+H+K"	39.970434
"699286"	1685.849667	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+H+K"	39.970434
"1457484"	575.273367	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H+K"	39.970434
"247177"	2263.186426	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+ACN+H"	42.033826
"1217700"	1152.610126	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+ACN+H"	42.033826
"1201584"	576.808701	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+ACN+2H"	43.041102
"197736"	2266.12376	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+2Na-H"	44.97116
"635109"	3376.70006	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+2Na-H"	44.97116
"1136430"	1155.54746	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2Na-H"	44.97116
"179721"	1133.565518	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+2Na"	45.978436
"620375"	1688.853668	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+2Na"	45.978436
"1120602"	578.277368	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2Na"	45.978436
"1400842"	385.854004	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H+2Na"	46.985712
"1430892"	1157.589046	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H+HCOOH"	47.012746
"220945"	1138.59854	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+3H2O+2H"	56.04448
"1510351"	1171.64109	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+IsoProp+H"	61.06479
"410768"	1141.552488	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+Na+K"	61.952376
"773222"	1696.840638	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+Na+K"	61.952376
"1673199"	586.264338	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Na+K"	61.952376
"263001"	2285.168368	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+ACN+Na"	64.015768
"1236806"	1174.592068	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+ACN+Na"	64.015768
"1722409"	1174.615593	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+NH4+HCOOH"	64.039293
"1188859"	393.181318	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+3Na"	68.967654
"1662033"	1179.570988	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Na+HCOOH"	68.994688
"169988"	2298.07164	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+2K-H"	76.91904
"607365"	3408.64794	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+2K-H"	76.91904
"1097344"	1187.49534	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2K-H"	76.91904
"151974"	1149.539458	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"2M+2K"	77.926316
"593723"	1704.827608	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"3M+2K"	77.926316
"1079326"	594.251308	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2K"	77.926316
"1110349"	1189.509892	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2K+H"	78.933592
"1348922"	1189.597507	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+DMSO+H"	79.021207
"1018544"	1193.636676	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2ACN+H"	83.060376
"1535580"	1194.630308	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+IsoProp+Na+H"	84.054008
"1004213"	597.321976	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+2ACN+2H"	84.067652
"1602655"	1195.544928	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+K+HCOOH"	84.968628
"1427289"	1225.576438	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+H+CF3COOH"	115.000138
"1160860"	617.835251	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+3ACN+2H"	125.094202
"1707495"	1242.602985	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+NH4+CF3COOH"	132.026685
"1642051"	1247.55838	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+Na+CF3COOH"	136.98208
"1579893"	1263.53232	"C16762"	"Ciguatoxin I;CTX"	"C60H86O19"	"1110.5763"	"M+K+CF3COOH"	152.95602
"815731"	574.1111	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M"	0
"979425"	555.09271	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-H2O-H"	-19.01839
"65480"	381.733457333333	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M-3H"	-3.021828
"513791"	573.103824	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M-3H"	-3.021828
"885030"	190.363090666667	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-3H"	-3.021828
"12720"	573.103824	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M-2H"	-2.014552
"452281"	860.159374	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M-2H"	-2.014552
"830448"	286.048274	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-2H"	-2.014552
"90808"	1147.214924	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M-H"	-1.007276
"529277"	1721.326024	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M-H"	-1.007276
"904892"	573.103824	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-H"	-1.007276
"57078"	1164.241471	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M-2H+NH4"	16.019271
"499555"	1738.352571	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M-2H+NH4"	16.019271
"878328"	590.130371	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-2H+NH4"	16.019271
"41253"	1169.196866	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M-2H+Na"	20.974666
"484456"	1743.307966	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M-2H+Na"	20.974666
"859710"	595.085766	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-2H+Na"	20.974666
"1627055"	595.085766	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Na-2H"	20.974666
"100303"	591.092163	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M-H+Cl"	33.962126
"542052"	878.147713	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M-H+Cl"	33.962126
"936660"	304.036613	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-H+Cl"	33.962126
"276310"	1183.191602	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+Cl"	34.969402
"670918"	1757.302702	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+Cl"	34.969402
"1283319"	609.080502	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Cl"	34.969402
"25875"	1185.170806	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M-2H+K"	36.948606
"465434"	1759.281906	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M-2H+K"	36.948606
"843235"	611.059706	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-2H+K"	36.948606
"1568548"	611.059706	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+K-2H"	36.948606
"951327"	619.109294	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-H+HCOOH"	44.998194
"370637"	1193.220401	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+HCOOH-H"	44.998201
"360678"	1207.236051	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+Hac-H"	59.013851
"1500072"	633.124951	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Hac-H"	59.013851
"971990"	641.091251	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-H+NaCOOH"	66.980151
"125629"	609.080502	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+2Cl"	69.938804
"565594"	896.136052	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+2Cl"	69.938804
"1034724"	322.024952	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2Cl"	69.938804
"1256942"	653.029985	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Br"	78.918885
"1317845"	655.085972	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Cl+HCOOH"	80.974872
"1334613"	677.067929	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Cl+NaCOOH"	102.956829
"919836"	687.096686	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M-H+CF3COOH"	112.985586
"1295451"	723.073364	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Cl+CF3COOH"	148.962264
"1376894"	539.098424	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H-2H2O"	-35.012676
"1392203"	557.1084	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H-H2O"	-17.0027
"291890"	1149.229476	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+H"	1.007276
"688685"	1723.340576	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+H"	1.007276
"1364669"	575.118376	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H"	1.007276
"131362"	575.118376	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+2H"	2.014552
"577857"	862.173926	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+2H"	2.014552
"1050669"	288.062826	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2H"	2.014552
"219298"	383.748009333333	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+3H"	3.021828
"654484"	575.118376	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+3H"	3.021828
"1170786"	192.377642666667	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+3H"	3.021828
"429684"	1166.256023	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+NH4"	18.033823
"791773"	1740.367123	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+NH4"	18.033823
"1693937"	592.144923	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+NH4"	18.033823
"333102"	583.6316495	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+H+NH4"	19.041099
"735007"	870.6871995	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+H+NH4"	19.041099
"1489195"	296.5760995	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H+NH4"	19.041099
"403134"	1171.211418	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+Na"	22.989218
"767046"	1745.322518	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+Na"	22.989218
"1612228"	597.100318	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Na"	22.989218
"325546"	586.109347	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+H+Na"	23.996494
"717605"	873.164897	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+H+Na"	23.996494
"1471060"	299.053797	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H+Na"	23.996494
"1060666"	199.704956666667	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2H+Na"	25.00377
"1263803"	607.144586	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+CH3OH+H"	33.033486
"384562"	1187.185358	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+K"	38.963158
"744467"	1761.296458	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+K"	38.963158
"1545424"	613.074258	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+K"	38.963158
"302964"	594.096317	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+H+K"	39.970434
"698306"	881.151867	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+H+K"	39.970434
"1454312"	307.040767	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H+K"	39.970434
"244007"	1190.256026	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+ACN+H"	42.033826
"1218904"	616.144926	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+ACN+H"	42.033826
"1201695"	308.576101	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+ACN+2H"	43.041102
"196754"	1193.19336	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+2Na-H"	44.97116
"631576"	1767.30446	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+2Na-H"	44.97116
"1137635"	619.08226	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2Na-H"	44.97116
"182019"	597.100318	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+2Na"	45.978436
"621945"	884.155868	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+2Na"	45.978436
"1123991"	310.044768	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2Na"	45.978436
"1401313"	207.032270666667	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H+2Na"	46.985712
"1430639"	621.123846	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H+HCOOH"	47.012746
"222148"	602.13334	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+3H2O+2H"	56.04448
"1510088"	635.17589	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+IsoProp+H"	61.06479
"410875"	605.087288	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+Na+K"	61.952376
"771141"	892.142838	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+Na+K"	61.952376
"1672215"	318.031738	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Na+K"	61.952376
"255819"	1212.237968	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+ACN+Na"	64.015768
"1236913"	638.126868	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+ACN+Na"	64.015768
"1724706"	638.150393	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+NH4+HCOOH"	64.039293
"1190790"	214.359584666667	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+3Na"	68.967654
"1662143"	643.105788	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Na+HCOOH"	68.994688
"170097"	1225.14124	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+2K-H"	76.91904
"599820"	1799.25234	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+2K-H"	76.91904
"1097334"	651.03014	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2K-H"	76.91904
"152084"	613.074258	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"2M+2K"	77.926316
"588366"	900.129808	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"3M+2K"	77.926316
"1077248"	326.018708	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2K"	77.926316
"1107178"	653.044692	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2K+H"	78.933592
"1344658"	653.132307	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+DMSO+H"	79.021207
"1016469"	657.171476	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2ACN+H"	83.060376
"1537872"	658.165108	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+IsoProp+Na+H"	84.054008
"1001043"	329.089376	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+2ACN+2H"	84.067652
"1597734"	659.079728	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+K+HCOOH"	84.968628
"1425580"	689.111238	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+H+CF3COOH"	115.000138
"1156959"	349.602651	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+3ACN+2H"	125.094202
"1712623"	706.137785	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+NH4+CF3COOH"	132.026685
"1638881"	711.09318	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+Na+CF3COOH"	136.98208
"1576723"	727.06712	"C16763"	"Luteoskyrin"	"C30H22O12"	"574.1111"	"M+K+CF3COOH"	152.95602
"815479"	542.1213	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M"	0
"985004"	523.10291	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-H2O-H"	-19.01839
"75435"	360.406924	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M-3H"	-3.021828
"512809"	541.114024	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M-3H"	-3.021828
"889517"	179.699824	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-3H"	-3.021828
"12470"	541.114024	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M-2H"	-2.014552
"448746"	812.174674	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M-2H"	-2.014552
"828742"	270.053374	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-2H"	-2.014552
"89461"	1083.235324	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M-H"	-1.007276
"529750"	1625.356624	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M-H"	-1.007276
"904638"	541.114024	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-H"	-1.007276
"53909"	1100.261871	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M-2H+NH4"	16.019271
"491282"	1642.383171	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M-2H+NH4"	16.019271
"869084"	558.140571	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-2H+NH4"	16.019271
"41360"	1105.217266	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M-2H+Na"	20.974666
"480920"	1647.338566	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M-2H+Na"	20.974666
"855445"	563.095966	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-2H+Na"	20.974666
"1629716"	563.095966	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Na-2H"	20.974666
"104786"	559.102363	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M-H+Cl"	33.962126
"545440"	830.163013	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M-H+Cl"	33.962126
"935676"	288.041713	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-H+Cl"	33.962126
"274230"	1119.212002	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+Cl"	34.969402
"667743"	1661.333302	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+Cl"	34.969402
"1282333"	577.090702	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Cl"	34.969402
"19421"	1121.191206	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M-2H+K"	36.948606
"466636"	1663.312506	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M-2H+K"	36.948606
"844439"	579.069906	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-2H+K"	36.948606
"1569386"	579.069906	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+K-2H"	36.948606
"957270"	587.119494	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-H+HCOOH"	44.998194
"371840"	1129.240801	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+HCOOH-H"	44.998201
"359006"	1143.256451	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+Hac-H"	59.013851
"1507839"	601.135151	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Hac-H"	59.013851
"973194"	609.101451	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-H+NaCOOH"	66.980151
"124288"	577.090702	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+2Cl"	69.938804
"563849"	848.151352	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+2Cl"	69.938804
"1035932"	306.030052	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2Cl"	69.938804
"1256235"	621.040185	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Br"	78.918885
"1318320"	623.096172	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Cl+HCOOH"	80.974872
"1332170"	645.078129	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Cl+NaCOOH"	102.956829
"924687"	655.106886	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M-H+CF3COOH"	112.985586
"1299937"	691.083564	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Cl+CF3COOH"	148.962264
"1382475"	507.108624	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H-2H2O"	-35.012676
"1391221"	525.1186	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H-H2O"	-17.0027
"292000"	1085.249876	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+H"	1.007276
"686609"	1627.371176	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+H"	1.007276
"1356396"	543.128576	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H"	1.007276
"135846"	543.128576	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+2H"	2.014552
"579059"	814.189226	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+2H"	2.014552
"1051993"	272.067926	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2H"	2.014552
"219164"	362.421476	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+3H"	3.021828
"658244"	543.128576	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+3H"	3.021828
"1173813"	181.714376	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+3H"	3.021828
"433076"	1102.276423	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+NH4"	18.033823
"795165"	1644.397723	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+NH4"	18.033823
"1686028"	560.155123	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+NH4"	18.033823
"340867"	551.6418495	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+H+NH4"	19.041099
"736210"	822.7024995	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+H+NH4"	19.041099
"1490033"	280.5811995	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H+NH4"	19.041099
"406162"	1107.231818	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+Na"	22.989218
"768012"	1649.353118	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+Na"	22.989218
"1616349"	565.110518	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Na"	22.989218
"325656"	554.119547	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+H+Na"	23.996494
"712983"	825.180197	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+H+Na"	23.996494
"1470076"	283.058897	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H+Na"	23.996494
"1063328"	189.04169	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2H+Na"	25.00377
"1266100"	575.154786	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+CH3OH+H"	33.033486
"383582"	1123.205758	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+K"	38.963158
"742390"	1665.327058	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+K"	38.963158
"1545537"	581.084458	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+K"	38.963158
"305994"	562.106517	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+H+K"	39.970434
"701698"	833.167167	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+H+K"	39.970434
"1457707"	291.045867	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H+K"	39.970434
"244118"	1126.276426	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+ACN+H"	42.033826
"1219017"	584.155126	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+ACN+H"	42.033826
"1199619"	292.581201	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+ACN+2H"	43.041102
"193586"	1129.21376	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+2Na-H"	44.97116
"634240"	1671.33506	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+2Na-H"	44.97116
"1137746"	587.09246	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2Na-H"	44.97116
"181037"	565.110518	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+2Na"	45.978436
"617316"	836.171168	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+2Na"	45.978436
"1116360"	294.049868	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2Na"	45.978436
"1407622"	196.369004	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H+2Na"	46.985712
"1430545"	589.134046	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H+HCOOH"	47.012746
"220807"	570.14354	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+3H2O+2H"	56.04448
"1510328"	603.18609	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+IsoProp+H"	61.06479
"410624"	573.097488	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+Na+K"	61.952376
"777088"	844.158138	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+Na+K"	61.952376
"1674513"	302.036838	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Na+K"	61.952376
"262493"	1148.258368	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+ACN+Na"	64.015768
"1234473"	606.137068	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+ACN+Na"	64.015768
"1722632"	606.160593	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+NH4+HCOOH"	64.039293
"1189081"	203.696318	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+3Na"	68.967654
"1662253"	611.115988	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Na+HCOOH"	68.994688
"168749"	1161.16164	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+2K-H"	76.91904
"604307"	1703.28294	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+2K-H"	76.91904
"1087725"	619.04034	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2K-H"	76.91904
"150007"	581.084458	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"2M+2K"	77.926316
"591755"	852.145108	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"3M+2K"	77.926316
"1077361"	310.023808	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2K"	77.926316
"1109477"	621.054892	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2K+H"	78.933592
"1346954"	621.142507	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+DMSO+H"	79.021207
"1013298"	625.181676	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2ACN+H"	83.060376
"1535797"	626.175308	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+IsoProp+Na+H"	84.054008
"1001151"	313.094476	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+2ACN+2H"	84.067652
"1596750"	627.089928	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+K+HCOOH"	84.968628
"1424597"	657.121438	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+H+CF3COOH"	115.000138
"1162540"	333.607751	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+3ACN+2H"	125.094202
"1712460"	674.147985	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+NH4+CF3COOH"	132.026685
"1642271"	679.10338	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+Na+CF3COOH"	136.98208
"1576833"	695.07732	"C16764"	"Rugulosin"	"C30H22O10"	"542.1213"	"M+K+CF3COOH"	152.95602
"814856"	250.0841	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M"	0
"982922"	231.06571	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-H2O-H"	-19.01839
"76633"	165.715457333333	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M-3H"	-3.021828
"506354"	249.076824	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M-3H"	-3.021828
"890720"	82.3540906666667	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-3H"	-3.021828
"13669"	249.076824	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M-2H"	-2.014552
"446669"	374.118874	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M-2H"	-2.014552
"829945"	124.034774	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-2H"	-2.014552
"90666"	499.160924	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M-H"	-1.007276
"530224"	749.245024	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M-H"	-1.007276
"904019"	249.076824	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-H"	-1.007276
"54018"	516.187471	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M-2H+NH4"	16.019271
"491393"	766.271571	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M-2H+NH4"	16.019271
"875756"	266.103371	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-2H+NH4"	16.019271
"42563"	521.142866	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M-2H+Na"	20.974666
"483217"	771.226966	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M-2H+Na"	20.974666
"857741"	271.058766	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-2H+Na"	20.974666
"1626180"	271.058766	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Na-2H"	20.974666
"102710"	267.065163	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M-H+Cl"	33.962126
"544457"	392.107213	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M-H+Cl"	33.962126
"936880"	142.023113	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-H+Cl"	33.962126
"278714"	535.137602	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+Cl"	34.969402
"671133"	785.221702	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+Cl"	34.969402
"1284629"	285.053502	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Cl"	34.969402
"26092"	537.116806	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M-2H+K"	36.948606
"466746"	787.200906	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M-2H+K"	36.948606
"847464"	287.032706	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-2H+K"	36.948606
"1569496"	287.032706	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+K-2H"	36.948606
"958111"	295.082294	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-H+HCOOH"	44.998194
"373408"	545.166401	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+HCOOH-H"	44.998201
"360940"	559.182051	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+Hac-H"	59.013851
"1508249"	309.097951	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Hac-H"	59.013851
"973305"	317.064251	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-H+NaCOOH"	66.980151
"125374"	285.053502	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+2Cl"	69.938804
"564327"	410.095552	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+2Cl"	69.938804
"1036404"	160.011452	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2Cl"	69.938804
"1256716"	329.002985	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Br"	78.918885
"1319160"	331.058972	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Cl+HCOOH"	80.974872
"1335327"	353.040929	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Cl+NaCOOH"	102.956829
"926378"	363.069686	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M-H+CF3COOH"	112.985586
"1301870"	399.046364	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Cl+CF3COOH"	148.962264
"1382672"	215.071424	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H-2H2O"	-35.012676
"1397410"	233.0814	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H-H2O"	-17.0027
"297217"	501.175476	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+H"	1.007276
"685626"	751.259576	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+H"	1.007276
"1358693"	251.091376	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H"	1.007276
"139602"	251.091376	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+2H"	2.014552
"579898"	376.133426	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+2H"	2.014552
"1052590"	126.049326	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2H"	2.014552
"217694"	167.730009333333	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+3H"	3.021828
"658353"	251.091376	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+3H"	3.021828
"1173924"	84.3686426666667	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+3H"	3.021828
"435010"	518.202023	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+NH4"	18.033823
"795275"	768.286123	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+NH4"	18.033823
"1685409"	268.117923	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+NH4"	18.033823
"340977"	259.6046495	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+H+NH4"	19.041099
"732309"	384.6466995	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+H+NH4"	19.041099
"1489410"	134.5625995	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H+NH4"	19.041099
"407365"	523.157418	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+Na"	22.989218
"769335"	773.241518	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+Na"	22.989218
"1616823"	273.073318	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Na"	22.989218
"323943"	262.082347	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+H+Na"	23.996494
"719894"	387.124397	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+H+Na"	23.996494
"1471280"	137.040297	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H+Na"	23.996494
"1063074"	91.6959566666667	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2H+Na"	25.00377
"1268396"	283.117586	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+CH3OH+H"	33.033486
"388064"	539.131358	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+K"	38.963158
"750151"	789.215458	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+K"	38.963158
"1548926"	289.047258	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+K"	38.963158
"309383"	270.069317	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+H+K"	39.970434
"702540"	395.111367	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+H+K"	39.970434
"1457816"	145.027267	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H+K"	39.970434
"247509"	542.202026	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+ACN+H"	42.033826
"1222404"	292.117926	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+ACN+H"	42.033826
"1199729"	146.562601	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+ACN+2H"	43.041102
"190416"	545.13936	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+2Na-H"	44.97116
"629246"	795.22346	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+2Na-H"	44.97116
"1137856"	295.05526	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2Na-H"	44.97116
"183333"	273.073318	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+2Na"	45.978436
"617426"	398.115368	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+2Na"	45.978436
"1117649"	148.031268	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2Na"	45.978436
"1403359"	99.0232706666667	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H+2Na"	46.985712
"1436571"	297.096846	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H+HCOOH"	47.012746
"221160"	278.10634	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+3H2O+2H"	56.04448
"1511047"	311.14889	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+IsoProp+H"	61.06479
"417295"	281.060288	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+Na+K"	61.952376
"777198"	406.102338	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+Na+K"	61.952376
"1676810"	156.018238	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Na+K"	61.952376
"257864"	564.183968	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+ACN+Na"	64.015768
"1236041"	314.099868	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+ACN+Na"	64.015768
"1724928"	314.123393	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+NH4+HCOOH"	64.039293
"1190284"	106.350584666667	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+3Na"	68.967654
"1660176"	319.078788	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Na+HCOOH"	68.994688
"169223"	577.08724	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+2K-H"	76.91904
"606602"	827.17134	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+2K-H"	76.91904
"1092207"	327.00314	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2K-H"	76.91904
"151210"	289.047258	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"2M+2K"	77.926316
"586397"	414.089308	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"3M+2K"	77.926316
"1076376"	164.005208	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2K"	77.926316
"1105212"	329.017692	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2K+H"	78.933592
"1343785"	329.105307	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+DMSO+H"	79.021207
"1013408"	333.144476	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2ACN+H"	83.060376
"1537000"	334.138108	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+IsoProp+Na+H"	84.054008
"997981"	167.075876	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+2ACN+2H"	84.067652
"1596859"	335.052728	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+K+HCOOH"	84.968628
"1426893"	365.084238	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+H+CF3COOH"	115.000138
"1161557"	187.589151	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+3ACN+2H"	125.094202
"1712408"	382.110785	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+NH4+CF3COOH"	132.026685
"1642381"	387.06618	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+Na+CF3COOH"	136.98208
"1576943"	403.04012	"C16765"	"Citrinin"	"C13H14O5"	"250.0841"	"M+K+CF3COOH"	152.95602
"814966"	402.2042	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M"	0
"983032"	383.18581	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-H2O-H"	-19.01839
"75648"	267.128857333333	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M-3H"	-3.021828
"509744"	401.196924	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M-3H"	-3.021828
"890828"	133.060790666667	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-3H"	-3.021828
"13779"	401.196924	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M-2H"	-2.014552
"454070"	602.299024	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M-2H"	-2.014552
"828962"	200.094824	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-2H"	-2.014552
"90415"	803.401124	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M-H"	-1.007276
"531429"	1205.605324	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M-H"	-1.007276
"907045"	401.196924	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-H"	-1.007276
"57409"	820.427671	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M-2H+NH4"	16.019271
"491503"	1222.631871	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M-2H+NH4"	16.019271
"874773"	418.223471	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-2H+NH4"	16.019271
"44132"	825.383066	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M-2H+Na"	20.974666
"484059"	1227.587266	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M-2H+Na"	20.974666
"860769"	423.178866	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-2H+Na"	20.974666
"1631640"	423.178866	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Na-2H"	20.974666
"106102"	419.185263	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M-H+Cl"	33.962126
"546754"	620.287363	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M-H+Cl"	33.962126
"940998"	218.083163	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-H+Cl"	33.962126
"278824"	839.377802	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+Cl"	34.969402
"673073"	1241.582002	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+Cl"	34.969402
"1283648"	437.173602	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Cl"	34.969402
"28389"	841.357006	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M-2H+K"	36.948606
"466856"	1243.561206	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M-2H+K"	36.948606
"848225"	439.152806	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-2H+K"	36.948606
"1568878"	439.152806	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+K-2H"	36.948606
"957855"	447.202394	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-H+HCOOH"	44.998194
"376679"	849.406601	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+HCOOH-H"	44.998201
"355947"	863.422251	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+Hac-H"	59.013851
"1507336"	461.218051	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Hac-H"	59.013851
"972686"	469.184351	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-H+NaCOOH"	66.980151
"125125"	437.173602	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+2Cl"	69.938804
"563712"	638.275702	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+2Cl"	69.938804
"1036521"	236.071502	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2Cl"	69.938804
"1256954"	481.123085	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Br"	78.918885
"1318793"	483.179072	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Cl+HCOOH"	80.974872
"1335194"	505.161029	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Cl+NaCOOH"	102.956829
"926003"	515.189786	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M-H+CF3COOH"	112.985586
"1300157"	551.166464	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Cl+CF3COOH"	148.962264
"1382334"	367.191524	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H-2H2O"	-35.012676
"1396549"	385.2015	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H-H2O"	-17.0027
"295871"	805.415676	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+H"	1.007276
"686829"	1207.619876	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+H"	1.007276
"1358803"	403.211476	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H"	1.007276
"140076"	403.211476	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+2H"	2.014552
"579645"	604.313576	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+2H"	2.014552
"1051363"	202.109376	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2H"	2.014552
"219507"	269.143409333333	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+3H"	3.021828
"658466"	403.211476	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+3H"	3.021828
"1175128"	135.075342666667	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+3H"	3.021828
"434391"	822.442223	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+NH4"	18.033823
"797210"	1224.646423	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+NH4"	18.033823
"1690623"	420.238023	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+NH4"	18.033823
"335620"	411.7247495	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+H+NH4"	19.041099
"733510"	612.8268495	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+H+NH4"	19.041099
"1486239"	210.6226495	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H+NH4"	19.041099
"408485"	827.397618	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+Na"	22.989218
"769525"	1229.601818	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+Na"	22.989218
"1617297"	425.193418	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Na"	22.989218
"327334"	414.202447	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+H+Na"	23.996494
"721582"	615.304547	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+H+Na"	23.996494
"1471390"	213.100347	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H+Na"	23.996494
"1063550"	142.402656666667	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2H+Na"	25.00377
"1268508"	435.237686	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+CH3OH+H"	33.033486
"388174"	843.371558	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+K"	38.963158
"750260"	1245.575758	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+K"	38.963158
"1550859"	441.167358	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+K"	38.963158
"309493"	422.189417	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+H+K"	39.970434
"706660"	623.291517	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+H+K"	39.970434
"1459750"	221.087317	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H+K"	39.970434
"249807"	846.442226	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+ACN+H"	42.033826
"1224701"	444.238026	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+ACN+H"	42.033826
"1197654"	222.622651	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+ACN+2H"	43.041102
"191619"	849.37956	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+2Na-H"	44.97116
"632272"	1251.58376	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+2Na-H"	44.97116
"1142341"	447.17536	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2Na-H"	44.97116
"183444"	425.193418	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+2Na"	45.978436
"624098"	626.295518	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+2Na"	45.978436
"1121042"	224.091318	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2Na"	45.978436
"1407844"	149.729970666667	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H+2Na"	46.985712
"1436682"	449.216946	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H+HCOOH"	47.012746
"221271"	430.22644	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+3H2O+2H"	56.04448
"1510429"	463.26899	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+IsoProp+H"	61.06479
"417405"	433.180388	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+Na+K"	61.952376
"782777"	634.282488	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+Na+K"	61.952376
"1675828"	232.078288	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Na+K"	61.952376
"257974"	868.424168	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+ACN+Na"	64.015768
"1236152"	466.219968	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+ACN+Na"	64.015768
"1725770"	466.243493	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+NH4+HCOOH"	64.039293
"1190394"	157.057284666667	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+3Na"	68.967654
"1663812"	471.198888	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Na+HCOOH"	68.994688
"170427"	881.32744	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+2K-H"	76.91904
"606712"	1283.53164	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+2K-H"	76.91904
"1092316"	479.12324	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2K-H"	76.91904
"152412"	441.167358	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"2M+2K"	77.926316
"586509"	642.269458	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"3M+2K"	77.926316
"1076486"	240.065258	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2K"	77.926316
"1107509"	481.137792	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2K+H"	78.933592
"1343895"	481.225407	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+DMSO+H"	79.021207
"1013519"	485.264576	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2ACN+H"	83.060376
"1537110"	486.258208	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+IsoProp+Na+H"	84.054008
"996998"	243.135926	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+2ACN+2H"	84.067652
"1596970"	487.172828	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+K+HCOOH"	84.968628
"1424816"	517.204338	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+H+CF3COOH"	115.000138
"1151825"	263.649201	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+3ACN+2H"	125.094202
"1711216"	534.230885	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+NH4+CF3COOH"	132.026685
"1640304"	539.18628	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+Na+CF3COOH"	136.98208
"1577053"	555.16022	"C16766"	"Citreoviridin"	"C23H30O6"	"402.2042"	"M+K+CF3COOH"	152.95602
"816169"	518.1788	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M"	0
"983142"	499.16041	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-H2O-H"	-19.01839
"75758"	344.445257333333	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M-3H"	-3.021828
"512041"	517.171524	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M-3H"	-3.021828
"893124"	171.718990666667	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-3H"	-3.021828
"11702"	517.171524	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M-2H"	-2.014552
"452357"	776.260924	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M-2H"	-2.014552
"829438"	258.082124	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-2H"	-2.014552
"90889"	1035.350324	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M-H"	-1.007276
"532390"	1553.529124	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M-H"	-1.007276
"906429"	517.171524	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-H"	-1.007276
"60436"	1052.376871	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M-2H+NH4"	16.019271
"499636"	1570.555671	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M-2H+NH4"	16.019271
"876711"	534.198071	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-2H+NH4"	16.019271
"44608"	1057.332266	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M-2H+Na"	20.974666
"484901"	1575.511066	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M-2H+Na"	20.974666
"862706"	539.153466	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-2H+Na"	20.974666
"1631874"	539.153466	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Na-2H"	20.974666
"108039"	535.159863	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M-H+Cl"	33.962126
"547597"	794.249263	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M-H+Cl"	33.962126
"940017"	276.070463	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-H+Cl"	33.962126
"281121"	1071.327002	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+Cl"	34.969402
"673913"	1589.505802	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+Cl"	34.969402
"1285944"	553.148202	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Cl"	34.969402
"28499"	1073.306206	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M-2H+K"	36.948606
"469153"	1591.485006	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M-2H+K"	36.948606
"848050"	555.127406	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-2H+K"	36.948606
"1568259"	555.127406	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+K-2H"	36.948606
"958322"	563.176994	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-H+HCOOH"	44.998194
"376506"	1081.355801	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+HCOOH-H"	44.998201
"361126"	1095.371451	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+Hac-H"	59.013851
"1507075"	577.192651	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Hac-H"	59.013851
"972801"	585.158951	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-H+NaCOOH"	66.980151
"124504"	553.148202	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+2Cl"	69.938804
"565541"	812.237602	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+2Cl"	69.938804
"1036716"	294.058802	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2Cl"	69.938804
"1256902"	597.097685	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Br"	78.918885
"1319668"	599.153672	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Cl+HCOOH"	80.974872
"1335523"	621.135629	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Cl+NaCOOH"	102.956829
"926843"	631.164386	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M-H+CF3COOH"	112.985586
"1302091"	667.141064	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Cl+CF3COOH"	148.962264
"1382640"	483.166124	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H-2H2O"	-35.012676
"1395930"	501.1761	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H-H2O"	-17.0027
"296710"	1037.364876	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+H"	1.007276
"686939"	1555.543676	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+H"	1.007276
"1358913"	519.186076	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H"	1.007276
"139458"	519.186076	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+2H"	2.014552
"580119"	778.275476	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+2H"	2.014552
"1052202"	260.096676	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2H"	2.014552
"219252"	346.459809333333	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+3H"	3.021828
"658940"	519.186076	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+3H"	3.021828
"1177432"	173.733542666667	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+3H"	3.021828
"439608"	1054.391423	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+NH4"	18.033823
"796956"	1572.570223	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+NH4"	18.033823
"1690733"	536.212623	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+NH4"	18.033823
"337917"	527.6993495	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+H+NH4"	19.041099
"728517"	786.7887495	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+H+NH4"	19.041099
"1484162"	268.6099495	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H+NH4"	19.041099
"408237"	1059.346818	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+Na"	22.989218
"766757"	1577.525618	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+Na"	22.989218
"1615221"	541.168018	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Na"	22.989218
"327444"	530.177047	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+H+Na"	23.996494
"722550"	789.266447	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+H+Na"	23.996494
"1476857"	271.087647	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H+Na"	23.996494
"1067870"	181.060856666667	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2H+Na"	25.00377
"1272223"	551.212286	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+CH3OH+H"	33.033486
"390470"	1075.320758	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+K"	38.963158
"751463"	1593.499558	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+K"	38.963158
"1553155"	557.141958	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+K"	38.963158
"311789"	538.164017	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+H+K"	39.970434
"706964"	797.253417	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+H+K"	39.970434
"1460591"	279.074617	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H+K"	39.970434
"250653"	1078.391426	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+ACN+H"	42.033826
"1224451"	560.212626	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+ACN+H"	42.033826
"1202138"	280.609951	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+ACN+2H"	43.041102
"193916"	1081.32876	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+2Na-H"	44.97116
"637849"	1599.50756	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+2Na-H"	44.97116
"1143545"	563.14996	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2Na-H"	44.97116
"184648"	541.168018	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+2Na"	45.978436
"620928"	800.257418	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+2Na"	45.978436
"1121153"	282.078618	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2Na"	45.978436
"1407955"	188.388170666667	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H+2Na"	46.985712
"1442259"	565.191546	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H+HCOOH"	47.012746
"233775"	546.20104	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+3H2O+2H"	56.04448
"1520018"	579.24359	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+IsoProp+H"	61.06479
"421165"	549.154988	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+Na+K"	61.952376
"781432"	808.244388	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+Na+K"	61.952376
"1679585"	290.065588	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Na+K"	61.952376
"262459"	1100.373368	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+ACN+Na"	64.015768
"1238815"	582.194568	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+ACN+Na"	64.015768
"1726976"	582.218093	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+NH4+HCOOH"	64.039293
"1191597"	195.715484666667	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+3Na"	68.967654
"1665467"	587.173488	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Na+HCOOH"	68.994688
"172648"	1113.27664	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+2K-H"	76.91904
"612617"	1631.45544	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+2K-H"	76.91904
"1098139"	595.09784	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2K-H"	76.91904
"153615"	557.141958	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"2M+2K"	77.926316
"595732"	816.231358	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"3M+2K"	77.926316
"1082064"	298.052558	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2K"	77.926316
"1113086"	597.112392	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2K+H"	78.933592
"1348988"	597.200007	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+DMSO+H"	79.021207
"1020558"	601.239176	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2ACN+H"	83.060376
"1537828"	602.232808	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+IsoProp+Na+H"	84.054008
"1000389"	301.123226	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+2ACN+2H"	84.067652
"1598174"	603.147428	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+K+HCOOH"	84.968628
"1427478"	633.178938	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+H+CF3COOH"	115.000138
"1155216"	321.636501	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+3ACN+2H"	125.094202
"1711326"	650.205485	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+NH4+CF3COOH"	132.026685
"1640414"	655.16088	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+Na+CF3COOH"	136.98208
"1580443"	671.13482	"C16767"	"Rubratoxin B"	"C26H30O11"	"518.1788"	"M+K+CF3COOH"	152.95602
"815186"	459.0326	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M"	0
"976690"	440.01421	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-H2O-H"	-19.01839
"69305"	305.014457333333	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M-3H"	-3.021828
"512147"	458.025324	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M-3H"	-3.021828
"892504"	152.003590666667	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-3H"	-3.021828
"10715"	458.025324	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M-2H"	-2.014552
"448091"	687.541624	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M-2H"	-2.014552
"823708"	228.509024	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-2H"	-2.014552
"85888"	917.057924	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M-H"	-1.007276
"524717"	1376.090524	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M-H"	-1.007276
"908718"	458.025324	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-H"	-1.007276
"53250"	934.084471	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M-2H+NH4"	16.019271
"500111"	1393.117071	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M-2H+NH4"	16.019271
"878882"	475.051871	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-2H+NH4"	16.019271
"45934"	939.039866	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M-2H+Na"	20.974666
"485741"	1398.072466	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M-2H+Na"	20.974666
"862086"	480.007266	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-2H+Na"	20.974666
"1633765"	480.007266	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Na-2H"	20.974666
"107054"	476.013663	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M-H+Cl"	33.962126
"548071"	705.529963	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M-H+Cl"	33.962126
"941586"	246.497363	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-H+Cl"	33.962126
"280873"	953.034602	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+Cl"	34.969402
"673651"	1412.067202	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+Cl"	34.969402
"1284961"	494.002002	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Cl"	34.969402
"25329"	955.013806	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M-2H+K"	36.948606
"467076"	1414.046406	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M-2H+K"	36.948606
"847918"	495.981206	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-2H+K"	36.948606
"1570192"	495.981206	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+K-2H"	36.948606
"950783"	504.030794	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-H+HCOOH"	44.998194
"375561"	963.063401	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+HCOOH-H"	44.998201
"359082"	977.079051	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+Hac-H"	59.013851
"1507915"	518.046451	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Hac-H"	59.013851
"973148"	526.012751	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-H+NaCOOH"	66.980151
"125530"	494.002002	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+2Cl"	69.938804
"565395"	723.518302	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+2Cl"	69.938804
"1036377"	264.485702	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2Cl"	69.938804
"1256724"	537.951485	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Br"	78.918885
"1319740"	540.007472	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Cl+HCOOH"	80.974872
"1335600"	561.989429	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Cl+NaCOOH"	102.956829
"927060"	572.018186	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M-H+CF3COOH"	112.985586
"1302565"	607.994864	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Cl+CF3COOH"	148.962264
"1380727"	424.019924	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H-2H2O"	-35.012676
"1398105"	442.0299	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H-H2O"	-17.0027
"296087"	919.072476	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+H"	1.007276
"687778"	1378.105076	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+H"	1.007276
"1365950"	460.039876	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H"	1.007276
"134099"	460.039876	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+2H"	2.014552
"579500"	689.556176	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+2H"	2.014552
"1052433"	230.523576	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2H"	2.014552
"218753"	307.029009333333	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+3H"	3.021828
"658685"	460.039876	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+3H"	3.021828
"1177177"	154.018142666667	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+3H"	3.021828
"439352"	936.099023	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+NH4"	18.033823
"798888"	1395.131623	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+NH4"	18.033823
"1690843"	477.066423	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+NH4"	18.033823
"340944"	468.5531495	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+H+NH4"	19.041099
"728627"	698.0694495	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+H+NH4"	19.041099
"1485365"	239.0368495	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H+NH4"	19.041099
"399674"	941.054418	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+Na"	22.989218
"756658"	1400.087018	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+Na"	22.989218
"1608769"	482.021818	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Na"	22.989218
"326461"	471.030847	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+H+Na"	23.996494
"721924"	700.547147	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+H+Na"	23.996494
"1476924"	241.514547	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H+Na"	23.996494
"1066684"	161.345456666667	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2H+Na"	25.00377
"1272533"	492.066086	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+CH3OH+H"	33.033486
"391671"	957.028358	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+K"	38.963158
"750480"	1416.060958	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+K"	38.963158
"1549253"	497.995758	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+K"	38.963158
"308617"	479.017817	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+H+K"	39.970434
"706640"	708.534117	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+H+K"	39.970434
"1461187"	249.501517	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H+K"	39.970434
"248939"	960.099026	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+ACN+H"	42.033826
"1221282"	501.066426	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+ACN+H"	42.033826
"1205528"	251.036851	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+ACN+2H"	43.041102
"197304"	963.03636	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+2Na-H"	44.97116
"634678"	1422.06896	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+2Na-H"	44.97116
"1138186"	504.00376	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2Na-H"	44.97116
"177102"	482.021818	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+2Na"	45.978436
"621037"	711.538118	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+2Na"	45.978436
"1121263"	252.505518	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2Na"	45.978436
"1404783"	168.672770666667	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H+2Na"	46.985712
"1441273"	506.045346	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H+HCOOH"	47.012746
"227687"	487.05484	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+3H2O+2H"	56.04448
"1515752"	520.09739	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+IsoProp+H"	61.06479
"422000"	490.008788	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+Na+K"	61.952376
"782998"	719.525088	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+Na+K"	61.952376
"1680060"	260.492488	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Na+K"	61.952376
"262569"	982.080968	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+ACN+Na"	64.015768
"1238195"	523.048368	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+ACN+Na"	64.015768
"1727085"	523.071893	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+NH4+HCOOH"	64.039293
"1191707"	176.000084666667	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+3Na"	68.967654
"1662693"	528.027288	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Na+HCOOH"	68.994688
"170645"	994.98424	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+2K-H"	76.91904
"610214"	1454.01684	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+2K-H"	76.91904
"1095816"	535.95164	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2K-H"	76.91904
"152632"	497.995758	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"2M+2K"	77.926316
"593289"	727.512058	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"3M+2K"	77.926316
"1081080"	268.479458	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2K"	77.926316
"1109915"	537.966192	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2K+H"	78.933592
"1341926"	538.053807	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+DMSO+H"	79.021207
"1018114"	542.092976	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2ACN+H"	83.060376
"1530765"	543.086608	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+IsoProp+Na+H"	84.054008
"1001591"	271.550126	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+2ACN+2H"	84.067652
"1593909"	544.001228	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+K+HCOOH"	84.968628
"1420661"	574.032738	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+H+CF3COOH"	115.000138
"1157511"	292.063401	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+3ACN+2H"	125.094202
"1702688"	591.059285	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+NH4+CF3COOH"	132.026685
"1638336"	596.01468	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+Na+CF3COOH"	136.98208
"1572898"	611.98862	"C16768"	"Sporidesmin J"	"C17H18ClN3O6S2"	"459.0326"	"M+K+CF3COOH"	152.95602
"815296"	670.2353	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M"	0
"976800"	651.21691	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-H2O-H"	-19.01839
"69415"	445.816257333333	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M-3H"	-3.021828
"510070"	669.228024	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M-3H"	-3.021828
"887872"	222.404490666667	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-3H"	-3.021828
"12647"	669.228024	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M-2H"	-2.014552
"454153"	1004.345674	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M-2H"	-2.014552
"824911"	334.110374	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-2H"	-2.014552
"88183"	1339.463324	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M-H"	-1.007276
"522276"	2009.698624	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M-H"	-1.007276
"909800"	669.228024	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-H"	-1.007276
"51537"	1356.489871	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M-2H+NH4"	16.019271
"499858"	2026.725171	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M-2H+NH4"	16.019271
"877659"	686.254571	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-2H+NH4"	16.019271
"44829"	1361.445266	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M-2H+Na"	20.974666
"485851"	2031.680566	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M-2H+Na"	20.974666
"862560"	691.209966	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-2H+Na"	20.974666
"1632458"	691.209966	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Na-2H"	20.974666
"108257"	687.216363	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M-H+Cl"	33.962126
"548181"	1022.334013	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M-H+Cl"	33.962126
"941696"	352.098713	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-H+Cl"	33.962126
"280252"	1375.440002	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+Cl"	34.969402
"674126"	2045.675302	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+Cl"	34.969402
"1286164"	705.204702	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Cl"	34.969402
"25439"	1377.419206	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M-2H+K"	36.948606
"467186"	2047.654506	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M-2H+K"	36.948606
"847177"	707.183906	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-2H+K"	36.948606
"1568479"	707.183906	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+K-2H"	36.948606
"955269"	715.233494	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-H+HCOOH"	44.998194
"373484"	1385.468801	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+HCOOH-H"	44.998201
"359196"	1399.484451	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+Hac-H"	59.013851
"1504743"	729.249151	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Hac-H"	59.013851
"972290"	737.215451	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-H+NaCOOH"	66.980151
"125331"	705.204702	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+2Cl"	69.938804
"565462"	1040.322352	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+2Cl"	69.938804
"1036493"	370.087052	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2Cl"	69.938804
"1256793"	749.154185	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Br"	78.918885
"1319687"	751.210172	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Cl+HCOOH"	80.974872
"1335040"	773.192129	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Cl+NaCOOH"	102.956829
"926584"	783.220886	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M-H+CF3COOH"	112.985586
"1302676"	819.197564	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Cl+CF3COOH"	148.962264
"1381808"	635.222624	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H-2H2O"	-35.012676
"1397243"	653.2326	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H-H2O"	-17.0027
"295835"	1341.477876	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+H"	1.007276
"684972"	2011.713176	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+H"	1.007276
"1364602"	671.242576	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H"	1.007276
"134209"	671.242576	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+2H"	2.014552
"579854"	1006.360226	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+2H"	2.014552
"1052421"	336.124926	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2H"	2.014552
"217771"	447.830809333333	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+3H"	3.021828
"659807"	671.242576	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+3H"	3.021828
"1178013"	224.419042666667	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+3H"	3.021828
"437639"	1358.504423	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+NH4"	18.033823
"798998"	2028.739723	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+NH4"	18.033823
"1694235"	688.269123	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+NH4"	18.033823
"340325"	679.7558495	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+H+NH4"	19.041099
"731653"	1014.8734995	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+H+NH4"	19.041099
"1485476"	344.6381995	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H+NH4"	19.041099
"397594"	1363.459818	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+Na"	22.989218
"758592"	2033.695118	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+Na"	22.989218
"1605598"	693.224518	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Na"	22.989218
"327664"	682.233547	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+H+Na"	23.996494
"721062"	1017.351197	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+H+Na"	23.996494
"1476627"	347.115897	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H+Na"	23.996494
"1063879"	231.746356666667	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2H+Na"	25.00377
"1271995"	703.268786	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+CH3OH+H"	33.033486
"390326"	1379.433758	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+K"	38.963158
"749497"	2049.669058	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+K"	38.963158
"1550456"	709.198458	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+K"	38.963158
"308727"	690.220517	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+H+K"	39.970434
"705895"	1025.338167	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+H+K"	39.970434
"1460200"	355.102867	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H+K"	39.970434
"250140"	1382.504426	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+ACN+H"	42.033826
"1219567"	712.269126	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+ACN+H"	42.033826
"1201264"	356.638201	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+ACN+2H"	43.041102
"194134"	1385.44176	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+2Na-H"	44.97116
"628574"	2055.67706	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+2Na-H"	44.97116
"1134287"	715.20646	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2Na-H"	44.97116
"175389"	693.224518	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+2Na"	45.978436
"614221"	1028.342168	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+2Na"	45.978436
"1117727"	358.106868	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2Na"	45.978436
"1400519"	239.073670666667	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H+2Na"	46.985712
"1435915"	717.248046	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H+HCOOH"	47.012746
"221965"	698.25754	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+3H2O+2H"	56.04448
"1514768"	731.30009	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+IsoProp+H"	61.06479
"419923"	701.211488	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+Na+K"	61.952376
"782743"	1036.329138	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+Na+K"	61.952376
"1677983"	366.093838	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Na+K"	61.952376
"262679"	1404.486368	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+ACN+Na"	64.015768
"1237940"	734.251068	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+ACN+Na"	64.015768
"1722089"	734.274593	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+NH4+HCOOH"	64.039293
"1191817"	246.400984666667	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+3Na"	68.967654
"1661709"	739.229988	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Na+HCOOH"	68.994688
"170755"	1417.38964	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+2K-H"	76.91904
"609230"	2087.62494	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+2K-H"	76.91904
"1094833"	747.15434	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2K-H"	76.91904
"152742"	709.198458	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"2M+2K"	77.926316
"593398"	1044.316108	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"3M+2K"	77.926316
"1075722"	374.080808	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2K"	77.926316
"1110025"	749.168892	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2K+H"	78.933592
"1340942"	749.256507	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+DMSO+H"	79.021207
"1017128"	753.295676	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2ACN+H"	83.060376
"1535254"	754.289308	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+IsoProp+Na+H"	84.054008
"1000604"	377.151476	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+2ACN+2H"	84.067652
"1596205"	755.203928	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+K+HCOOH"	84.968628
"1418583"	785.235438	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+H+CF3COOH"	115.000138
"1154340"	397.664751	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+3ACN+2H"	125.094202
"1704984"	802.261985	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+NH4+CF3COOH"	132.026685
"1637352"	807.21738	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+Na+CF3COOH"	136.98208
"1572036"	823.19132	"C16769"	"Aplysiatoxin"	"C32H47BrO10"	"670.2353"	"M+K+CF3COOH"	152.95602
"814313"	748.1458	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M"	0
"978003"	729.12741	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-H2O-H"	-19.01839
"69525"	497.756590666667	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M-3H"	-3.021828
"510180"	747.138524	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M-3H"	-3.021828
"889075"	248.374657333333	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-3H"	-3.021828
"13121"	747.138524	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M-2H"	-2.014552
"452681"	1121.211424	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M-2H"	-2.014552
"825021"	373.065624	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-2H"	-2.014552
"88293"	1495.284324	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M-H"	-1.007276
"522386"	2243.430124	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M-H"	-1.007276
"907845"	747.138524	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-H"	-1.007276
"50190"	1512.310871	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M-2H+NH4"	16.019271
"498752"	2260.456671	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M-2H+NH4"	16.019271
"876310"	764.165071	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-2H+NH4"	16.019271
"44208"	1517.266266	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M-2H+Na"	20.974666
"484500"	2265.412066	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M-2H+Na"	20.974666
"861576"	769.120466	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-2H+Na"	20.974666
"1632201"	769.120466	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Na-2H"	20.974666
"108001"	765.126863	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M-H+Cl"	33.962126
"546830"	1139.199763	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M-H+Cl"	33.962126
"937793"	391.053963	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-H+Cl"	33.962126
"280361"	1531.261002	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+Cl"	34.969402
"672412"	2279.406802	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+Cl"	34.969402
"1284816"	783.115202	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Cl"	34.969402
"21175"	1533.240206	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M-2H+K"	36.948606
"467296"	2281.386006	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M-2H+K"	36.948606
"846557"	785.094406	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-2H+K"	36.948606
"1567494"	785.094406	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+K-2H"	36.948606
"955013"	793.143994	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-H+HCOOH"	44.998194
"373958"	1541.289801	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+HCOOH-H"	44.998201
"357849"	1555.305451	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+Hac-H"	59.013851
"1505948"	807.159651	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Hac-H"	59.013851
"971304"	815.125951	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-H+NaCOOH"	66.980151
"125319"	783.115202	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+2Cl"	69.938804
"564882"	1157.188102	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+2Cl"	69.938804
"1035873"	409.042302	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2Cl"	69.938804
"1256421"	827.064685	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Br"	78.918885
"1317526"	829.120672	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Cl+HCOOH"	80.974872
"1334659"	851.102629	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Cl+NaCOOH"	102.956829
"926854"	861.131386	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M-H+CF3COOH"	112.985586
"1302056"	897.108064	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Cl+CF3COOH"	148.962264
"1381072"	713.133124	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H-2H2O"	-35.012676
"1395895"	731.1431	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H-H2O"	-17.0027
"296306"	1497.298876	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+H"	1.007276
"687998"	2245.444676	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+H"	1.007276
"1360337"	749.153076	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H"	1.007276
"134319"	749.153076	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+2H"	2.014552
"574974"	1123.225976	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+2H"	2.014552
"1050705"	375.080176	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2H"	2.014552
"218608"	499.771142666667	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+3H"	3.021828
"659636"	749.153076	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+3H"	3.021828
"1177276"	250.389209333333	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+3H"	3.021828
"438114"	1514.325423	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+NH4"	18.033823
"800568"	2262.471223	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+NH4"	18.033823
"1695078"	766.179623	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+NH4"	18.033823
"341530"	757.6663495	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+H+NH4"	19.041099
"731763"	1131.7392495	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+H+NH4"	19.041099
"1483399"	383.5934495	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H+NH4"	19.041099
"398798"	1519.280818	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+Na"	22.989218
"763076"	2267.426618	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+Na"	22.989218
"1606800"	771.135018	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Na"	22.989218
"324494"	760.144047	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+H+Na"	23.996494
"721904"	1134.216947	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+H+Na"	23.996494
"1475116"	386.071147	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H+Na"	23.996494
"1066904"	257.716523333333	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2H+Na"	25.00377
"1270770"	781.179286	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+CH3OH+H"	33.033486
"391166"	1535.254758	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+K"	38.963158
"750700"	2283.400558	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+K"	38.963158
"1549473"	787.108958	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+K"	38.963158
"313456"	768.131017	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+H+K"	39.970434
"706249"	1142.203917	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+H+K"	39.970434
"1459827"	394.058117	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H+K"	39.970434
"249886"	1538.325426	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+ACN+H"	42.033826
"1219679"	790.179626	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+ACN+H"	42.033826
"1206476"	395.593451	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+ACN+2H"	43.041102
"196431"	1541.26276	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+2Na-H"	44.97116
"634899"	2289.40856	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+2Na-H"	44.97116
"1139499"	793.11696	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2Na-H"	44.97116
"177321"	771.135018	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+2Na"	45.978436
"617247"	1145.207918	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+2Na"	45.978436
"1120024"	397.062118	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2Na"	45.978436
"1406097"	265.043837333333	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H+2Na"	46.985712
"1436026"	795.158546	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H+HCOOH"	47.012746
"224627"	776.16804	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+3H2O+2H"	56.04448
"1514878"	809.21059	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+IsoProp+H"	61.06479
"418941"	779.121988	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+Na+K"	61.952376
"779938"	1153.194888	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+Na+K"	61.952376
"1679549"	405.049088	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Na+K"	61.952376
"263154"	1560.307368	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+ACN+Na"	64.015768
"1236957"	812.161568	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+ACN+Na"	64.015768
"1722928"	812.185093	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+NH4+HCOOH"	64.039293
"1192536"	272.371151333333	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+3Na"	68.967654
"1661820"	817.140488	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Na+HCOOH"	68.994688
"169774"	1573.21064	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+2K-H"	76.91904
"610434"	2321.35644	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+2K-H"	76.91904
"1096036"	825.06484	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2K-H"	76.91904
"151759"	787.108958	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"2M+2K"	77.926316
"592416"	1161.181858	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"3M+2K"	77.926316
"1074739"	413.036058	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2K"	77.926316
"1111228"	827.079392	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2K+H"	78.933592
"1339959"	827.167007	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+DMSO+H"	79.021207
"1017238"	831.206176	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2ACN+H"	83.060376
"1533177"	832.199808	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+IsoProp+Na+H"	84.054008
"998528"	416.106726	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+2ACN+2H"	84.067652
"1594128"	833.114428	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+K+HCOOH"	84.968628
"1418694"	863.145938	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+H+CF3COOH"	115.000138
"1155544"	436.620001	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+3ACN+2H"	125.094202
"1698534"	880.172485	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+NH4+CF3COOH"	132.026685
"1637462"	885.12788	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+Na+CF3COOH"	136.98208
"1572389"	901.10182	"C16770"	"19-Bromoaplysiatoxin"	"C32H46Br2O10"	"748.1458"	"M+K+CF3COOH"	152.95602
"815883"	578.3091	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M"	0
"984676"	559.29071	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-H2O-H"	-19.01839
"74741"	384.532124	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M-3H"	-3.021828
"514663"	577.301824	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M-3H"	-3.021828
"892467"	191.762424	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-3H"	-3.021828
"12136"	577.301824	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M-2H"	-2.014552
"450604"	866.456374	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M-2H"	-2.014552
"828406"	288.147274	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-2H"	-2.014552
"92650"	1155.610924	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M-H"	-1.007276
"533551"	1733.920024	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M-H"	-1.007276
"906861"	577.301824	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-H"	-1.007276
"53580"	1172.637471	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M-2H+NH4"	16.019271
"498619"	1750.946571	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M-2H+NH4"	16.019271
"876663"	594.328371	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-2H+NH4"	16.019271
"43589"	1177.592866	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M-2H+Na"	20.974666
"485704"	1755.901966	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M-2H+Na"	20.974666
"862292"	599.283766	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-2H+Na"	20.974666
"1631218"	599.283766	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Na-2H"	20.974666
"106289"	595.290163	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M-H+Cl"	33.962126
"547307"	884.444713	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M-H+Cl"	33.962126
"938269"	306.135613	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-H+Cl"	33.962126
"280107"	1191.587602	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+Cl"	34.969402
"673257"	1769.896702	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+Cl"	34.969402
"1286388"	613.278502	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Cl"	34.969402
"29309"	1193.566806	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M-2H+K"	36.948606
"468137"	1771.875906	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M-2H+K"	36.948606
"846669"	615.257706	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-2H+K"	36.948606
"1570522"	615.257706	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+K-2H"	36.948606
"956217"	623.307294	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-H+HCOOH"	44.998194
"373703"	1201.616401	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+HCOOH-H"	44.998201
"358686"	1215.632051	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+Hac-H"	59.013851
"1503141"	637.322951	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Hac-H"	59.013851
"969589"	645.289251	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-H+NaCOOH"	66.980151
"123243"	613.278502	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+2Cl"	69.938804
"564873"	902.433052	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+2Cl"	69.938804
"1036347"	324.123952	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2Cl"	69.938804
"1255552"	657.227985	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Br"	78.918885
"1318365"	659.283972	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Cl+HCOOH"	80.974872
"1332580"	681.265929	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Cl+NaCOOH"	102.956829
"923636"	691.294686	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M-H+CF3COOH"	112.985586
"1299614"	727.271364	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Cl+CF3COOH"	148.962264
"1379964"	543.296424	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H-2H2O"	-35.012676
"1389803"	561.3064	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H-H2O"	-17.0027
"295323"	1157.625476	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+H"	1.007276
"686287"	1735.934576	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+H"	1.007276
"1358258"	579.316376	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H"	1.007276
"134429"	579.316376	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+2H"	2.014552
"575449"	868.470926	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+2H"	2.014552
"1048628"	290.161826	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2H"	2.014552
"217257"	386.546676	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+3H"	3.021828
"659378"	579.316376	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+3H"	3.021828
"1177747"	193.776976	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+3H"	3.021828
"439319"	1174.652023	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+NH4"	18.033823
"800678"	1752.961123	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+NH4"	18.033823
"1695187"	596.342923	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+NH4"	18.033823
"341276"	587.8296495	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+H+NH4"	19.041099
"725313"	876.9841995	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+H+NH4"	19.041099
"1483509"	298.6750995	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H+NH4"	19.041099
"400001"	1179.607418	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+Na"	22.989218
"762093"	1757.916518	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+Na"	22.989218
"1605817"	601.298318	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Na"	22.989218
"324604"	590.307347	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+H+Na"	23.996494
"722627"	879.461897	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+H+Na"	23.996494
"1477003"	301.152797	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H+Na"	23.996494
"1068028"	201.10429	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2H+Na"	25.00377
"1272055"	611.342586	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+CH3OH+H"	33.033486
"392697"	1195.581358	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+K"	38.963158
"752999"	1773.890458	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+K"	38.963158
"1550676"	617.272258	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+K"	38.963158
"313931"	598.294317	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+H+K"	39.970434
"705749"	887.448867	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+H+K"	39.970434
"1459933"	309.139767	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H+K"	39.970434
"248172"	1198.652026	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+ACN+H"	42.033826
"1223069"	620.342926	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+ACN+H"	42.033826
"1205858"	310.675101	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+ACN+2H"	43.041102
"195448"	1201.58936	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+2Na-H"	44.97116
"638290"	1779.89846	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+2Na-H"	44.97116
"1141432"	623.28026	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2Na-H"	44.97116
"180711"	601.298318	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+2Na"	45.978436
"622459"	890.452868	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+2Na"	45.978436
"1120134"	312.143768	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2Na"	45.978436
"1406573"	208.431604	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H+2Na"	46.985712
"1440511"	625.321846	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H+HCOOH"	47.012746
"226925"	606.33134	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+3H2O+2H"	56.04448
"1511708"	639.37389	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+IsoProp+H"	61.06479
"419780"	609.285288	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+Na+K"	61.952376
"781506"	898.439838	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+Na+K"	61.952376
"1678203"	320.130738	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Na+K"	61.952376
"263265"	1220.633968	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+ACN+Na"	64.015768
"1240228"	642.324868	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+ACN+Na"	64.015768
"1727536"	642.348393	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+NH4+HCOOH"	64.039293
"1192767"	215.758918	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+3Na"	68.967654
"1663023"	647.303788	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Na+HCOOH"	68.994688
"170855"	1233.53724	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+2K-H"	76.91904
"611152"	1811.84634	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+2K-H"	76.91904
"1097241"	655.22814	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2K-H"	76.91904
"152966"	617.272258	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"2M+2K"	77.926316
"591432"	906.426808	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"3M+2K"	77.926316
"1081412"	328.117708	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2K"	77.926316
"1111341"	657.242692	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2K+H"	78.933592
"1345538"	657.330307	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+DMSO+H"	79.021207
"1016255"	661.369476	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2ACN+H"	83.060376
"1536568"	662.363108	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+IsoProp+Na+H"	84.054008
"1001920"	331.188376	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+2ACN+2H"	84.067652
"1596426"	663.277728	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+K+HCOOH"	84.968628
"1424273"	693.309238	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+H+CF3COOH"	115.000138
"1155656"	351.701651	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+3ACN+2H"	125.094202
"1705206"	710.335785	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+NH4+CF3COOH"	132.026685
"1646319"	715.29118	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+Na+CF3COOH"	136.98208
"1572135"	731.26512	"C16771"	"Oscillatoxin A"	"C31H46O10"	"578.3091"	"M+K+CF3COOH"	152.95602
"814171"	154.1358	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M"	0
"981506"	135.11741	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"73028"	101.749924	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"507121"	153.128524	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"891485"	50.371324	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"10061"	153.128524	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"452537"	230.196424	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"827422"	76.060624	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"89601"	307.264324	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"531352"	461.400124	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"898217"	153.128524	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"52597"	324.290871	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"499823"	478.426671	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"877623"	170.155071	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"45522"	329.246266	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"486422"	483.382066	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"863613"	175.110466	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1630963"	175.110466	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"107855"	171.116863	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"549608"	248.184763	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"939836"	94.048963	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"281674"	343.241002	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"674459"	497.376802	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1286862"	189.105202	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"24679"	345.220206	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"469341"	499.356006	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"846414"	191.084406	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1569536"	191.084406	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"956327"	199.133994	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"374542"	353.269801	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"357702"	367.285451	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1506170"	213.149651	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"970792"	221.115951	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"125301"	189.105202	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"565105"	266.173102	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1036779"	112.037302	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1256516"	233.054685	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1319329"	235.110672	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1333054"	257.092629	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"923380"	267.121386	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1298266"	303.098064	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1376791"	119.123124	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1395018"	137.1331	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"293974"	309.278876	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"686031"	463.414676	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1358369"	155.143076	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"129072"	155.143076	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"574466"	232.210976	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1043998"	78.075176	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"217731"	103.764476	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"656934"	155.143076	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1176885"	52.385876	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"438336"	326.305423	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"799694"	480.441223	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1692378"	172.169623	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"338468"	163.6563495	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"725423"	240.7242495	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1483619"	86.5884495	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"400111"	331.260818	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"762201"	485.396618	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1610301"	177.125018	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"320338"	166.134047	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"722245"	243.201947	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1475702"	89.066147	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1066397"	59.71319	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1271353"	187.169286	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"391021"	347.234758	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"753110"	501.370558	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1554068"	193.098958	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"311245"	174.121017	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"702573"	251.188917	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1457495"	97.053117	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"246824"	350.305426	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1216983"	196.169626	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1207424"	98.588451	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"199931"	353.24276	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"631838"	507.37856	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1134250"	199.10696	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"177905"	177.125018	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"620018"	254.192918	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1122066"	100.057118	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1408870"	67.040504	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1439893"	201.148546	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"224851"	182.15804	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1519475"	215.20059	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"419162"	185.111988	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"781982"	262.179888	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1680138"	108.044088	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"265930"	372.287368	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1239732"	218.151568	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1725335"	218.175093	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1193241"	74.367818	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1660946"	223.130488	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"169995"	385.19064	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"611992"	539.32644	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1094072"	231.05484	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"151983"	193.098958	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"590451"	270.166858	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1077150"	116.031058	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1107078"	233.069392	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1346743"	233.157007	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1015273"	237.196176	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1533398"	238.189808	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"999844"	119.101726	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1588882"	239.104428	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1424384"	269.135938	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1155766"	139.615001	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1708596"	286.162485	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1639873"	291.11788	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1572245"	307.09182	"C16772"	"alpha-Terpineol;dl-alpha-Terpineol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"815255"	238.1933	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M"	0
"984896"	219.17491	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"76419"	157.788257333333	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"510512"	237.186024	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"892690"	78.3904906666667	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"11267"	237.186024	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"449734"	356.282674	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"830450"	118.089374	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"93479"	475.379324	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"531099"	713.572624	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"900517"	237.186024	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"47223"	492.405871	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"501390"	730.599171	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"879191"	254.212571	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"45267"	497.361266	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"486939"	735.554566	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"864011"	259.167966	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1632531"	259.167966	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"106873"	255.174363	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"546431"	374.271013	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"939582"	136.077713	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"281054"	511.356002	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"673474"	749.549302	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1287336"	273.162702	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"25882"	513.335206	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"467629"	751.528506	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"845431"	275.141906	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1569646"	275.141906	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"956438"	283.191494	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"373923"	521.384801	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"356719"	535.400451	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1506280"	297.207151	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"970902"	305.173451	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"124192"	273.162702	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"565569"	392.259352	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1036806"	154.066052	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1255045"	317.112185	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1318586"	319.168172	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1333894"	341.150129	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"924220"	351.178886	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1301292"	387.155564	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1381274"	203.180624	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1395124"	221.1906	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"287521"	477.393876	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"682130"	715.587176	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1356291"	239.200576	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"128086"	239.200576	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"572024"	358.297226	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1045931"	120.103926	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"216748"	159.802809333333	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"656925"	239.200576	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1175172"	80.4050426666667	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"434069"	494.420423	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"793971"	732.613723	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1691030"	256.227123	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"335298"	247.7138495	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"722971"	366.8104995	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1483729"	128.6171995	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"400221"	499.375818	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"759031"	737.569118	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1610411"	261.182518	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"317168"	250.191547	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"708251"	369.288197	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1463407"	131.094897	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1068286"	87.7323566666667	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1265993"	271.226786	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"386755"	515.349758	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"752124"	753.543058	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1551991"	277.156458	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"312084"	258.178517	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"702683"	377.275167	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1457605"	139.081867	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"248391"	518.420426	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1218186"	280.227126	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1207170"	140.617201	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"198946"	521.35776	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"635229"	759.55106	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1139826"	283.16446	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"180930"	261.182518	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"621951"	380.279168	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1122176"	142.085868	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1405700"	95.0596706666667	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1440367"	285.206046	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"222409"	266.21554	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1519585"	299.25809	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"420365"	269.169488	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"780999"	388.266138	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1680005"	150.072838	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"266896"	540.402368	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1240936"	302.209068	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1722530"	302.232593	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1190071"	102.386984666667	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1657777"	307.187988	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"170106"	553.30564	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"611492"	791.49894	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1099166"	315.11234	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"154280"	277.156458	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"593840"	396.253108	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1081633"	158.059808	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1107188"	317.126892	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1346853"	317.214507	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1014288"	321.253676	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1534602"	322.247308	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"999956"	161.130476	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1597740"	323.161928	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1422307"	353.193438	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1156968"	181.643751	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1708708"	370.219985	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1636703"	375.17538	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1572355"	391.14932	"C16773"	"Bisabolol oxide A"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"815850"	238.1933	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M"	0
"985006"	219.17491	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"69968"	157.788257333333	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"509527"	237.186024	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"891707"	78.3904906666667	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"11375"	237.186024	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"450934"	356.282674	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"827644"	118.089374	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"89822"	475.379324	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"530479"	713.572624	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"896254"	237.186024	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"47273"	492.405871	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"501015"	730.599171	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"878694"	254.212571	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"45377"	497.361266	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"485914"	735.554566	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"863230"	259.167966	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1632640"	259.167966	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"106982"	255.174363	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"546178"	374.271013	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"939692"	136.077713	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"280436"	511.356002	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"672128"	749.549302	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1287082"	273.162702	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"25992"	513.335206	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"463366"	751.528506	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"843355"	275.141906	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1567934"	275.141906	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"952539"	283.191494	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"368567"	521.384801	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"358652"	535.400451	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1506390"	297.207151	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"969920"	305.173451	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"123938"	273.162702	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"565201"	392.259352	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1035212"	154.066052	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1255882"	317.112185	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1316871"	319.168172	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1335096"	341.150129	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"925425"	351.178886	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1300672"	387.155564	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1381384"	203.180624	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1395598"	221.1906	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"289818"	477.393876	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"683333"	715.587176	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1355307"	239.200576	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"130382"	239.200576	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"573227"	358.297226	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1050052"	120.103926	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"217955"	159.802809333333	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"656062"	239.200576	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1174554"	80.4050426666667	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"434179"	494.420423	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"795174"	732.613723	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1689319"	256.227123	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"340146"	247.7138495	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"728923"	366.8104995	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1489306"	128.6171995	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"406163"	499.375818	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"759141"	737.569118	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1607241"	261.182518	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"317278"	250.191547	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"708240"	369.288197	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1462542"	131.094897	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1066250"	87.7323566666667	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1267196"	271.226786	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"387958"	515.349758	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"750777"	753.543058	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1551737"	277.156458	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"310008"	258.178517	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"703158"	377.275167	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1459536"	139.081867	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"247774"	518.420426	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1219026"	280.227126	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1202906"	140.617201	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"197966"	521.35776	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"630237"	759.55106	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1138842"	283.16446	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"179947"	261.182518	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"618780"	380.279168	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1122286"	142.085868	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1405445"	95.0596706666667	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1440113"	285.206046	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"225434"	266.21554	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1519695"	299.25809	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"420475"	269.169488	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"781473"	388.266138	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1678898"	150.072838	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"266513"	540.402368	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1240073"	302.209068	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1722640"	302.232593	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1189089"	102.386984666667	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1661168"	307.187988	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"172609"	553.30564	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"611845"	791.49894	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1095383"	315.11234	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"152203"	277.156458	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"592856"	396.253108	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1079557"	158.059808	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1107298"	317.126892	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1345869"	317.214507	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1013305"	321.253676	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1533619"	322.247308	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"997880"	161.130476	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1597850"	323.161928	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1422417"	353.193438	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1158171"	181.643751	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1708818"	370.219985	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1640093"	375.17538	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1572465"	391.14932	"C16774"	"Bisabolol oxide B"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"816568"	204.1878	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M"	0
"978555"	185.16941	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66796"	135.117924	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"508544"	203.180524	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"891814"	67.055324	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"10391"	203.180524	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"453231"	305.274424	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"826658"	101.086624	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91025"	407.368324	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"529495"	611.556124	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"896848"	203.180524	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51834"	424.394871	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499667"	628.582671	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"877467"	220.207071	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44759"	429.350266	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485052"	633.538066	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"863339"	225.162466	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1632387"	225.162466	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"107092"	221.168863	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"548235"	323.262763	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"941506"	119.074963	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"282213"	443.345002	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"675512"	647.532802	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1287194"	239.157202	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"29749"	445.324206	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"469674"	649.512006	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"846016"	241.136406	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1569138"	241.136406	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956294"	249.185994	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375969"	453.373801	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360585"	467.389451	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506867"	263.201651	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"968936"	271.167951	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"124776"	239.157202	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"564581"	341.251102	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1035325"	137.063302	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1255265"	283.106685	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318440"	285.162672	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331195"	307.144629	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924439"	317.173386	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1301877"	353.150064	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1381129"	169.175124	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1395344"	187.1851	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291021"	409.382876	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"680163"	613.570676	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1358697"	205.195076	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128306"	205.195076	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573337"	307.288976	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1050160"	103.101176	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"219156"	137.132476	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"656175"	205.195076	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1173935"	69.069876	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435383"	426.409423	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798564"	630.597223	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1693437"	222.221623	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"342077"	213.7083495	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729033"	315.8022495	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1489416"	111.6144495	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"406637"	431.364818	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"762531"	635.552618	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611723"	227.177018	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320669"	216.186047	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709443"	318.279947	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1465814"	114.092147	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1065630"	76.39719	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1267306"	237.221286	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"388069"	447.338758	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"747971"	651.526558	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1552211"	243.150958	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"308297"	224.173017	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700717"	326.266917	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1459646"	122.079117	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246426"	450.409426	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1216220"	246.221626	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1203016"	123.614451	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"196982"	453.34676	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"630346"	657.53456	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1138952"	249.15896	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"181150"	227.177018	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"620713"	329.270918	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122396"	125.083118	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1405555"	83.724504	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1440951"	251.200546	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"225180"	232.21004	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1518712"	265.25259	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"419492"	235.163988	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"782677"	337.257888	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1679859"	133.070088	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266017"	472.391368	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1239332"	268.203568	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1721657"	268.227093	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190292"	91.051818	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1662371"	273.182488	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"171665"	485.29464	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609163"	689.48244	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1096588"	281.10684	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"149030"	243.150958	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"591870"	345.244858	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1078573"	141.057058	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1107406"	283.121392	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344887"	283.209007	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1013415"	287.248176	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1537010"	288.241808	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"997990"	144.127726	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1592493"	289.156428	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424714"	319.187938	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156097"	164.641001	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1708564"	336.214485	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1642390"	341.16988	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1572575"	357.14382	"C16775"	"beta-Bisabolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"815948"	204.1878	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M"	0
"977572"	185.16941	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66906"	135.117924	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"508654"	203.180524	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"891924"	67.055324	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13781"	203.180524	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452247"	305.274424	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"826768"	101.086624	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"88948"	407.368324	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"531789"	611.556124	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"903033"	203.180524	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51944"	424.394871	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"501479"	628.582671	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878549"	220.207071	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"45965"	429.350266	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"486541"	633.538066	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"862596"	225.162466	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1633349"	225.162466	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"109027"	221.168863	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"549073"	323.262763	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"942108"	119.074963	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281632"	443.345002	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"674911"	647.532802	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1287797"	239.157202	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30838"	445.324206	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"470148"	649.512006	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"845761"	241.136406	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1569247"	241.136406	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"955675"	249.185994	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372068"	453.373801	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353765"	467.389451	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507341"	263.201651	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970869"	271.167951	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"125375"	239.157202	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"565055"	341.251102	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036161"	137.063302	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1256467"	283.106685	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317458"	285.162672	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334226"	307.144629	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"922363"	317.173386	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302354"	353.150064	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1379419"	169.175124	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394727"	187.1851	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"293318"	409.382876	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"680273"	613.570676	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1355528"	205.195076	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128416"	205.195076	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"574540"	307.288976	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1050271"	103.101176	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"216714"	137.132476	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"655921"	205.195076	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1171127"	69.069876	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433305"	426.409423	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"793207"	630.597223	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691724"	222.221623	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"338907"	213.7083495	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"725130"	315.8022495	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1486245"	111.6144495	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"403831"	431.364818	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"762641"	635.552618	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611833"	227.177018	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320779"	216.186047	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"711011"	318.279947	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1465924"	114.092147	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1065739"	76.39719	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1267416"	237.221286	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"382710"	447.338758	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"741515"	651.526558	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1546853"	243.150958	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+K"	38.963158
"310591"	224.173017	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704106"	326.266917	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458657"	122.079117	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"244351"	450.409426	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1218152"	246.221626	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1204221"	123.614451	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"198185"	453.34676	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"637745"	657.53456	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1135782"	249.15896	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"181260"	227.177018	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623009"	329.270918	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122142"	125.083118	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1407852"	83.724504	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1442155"	251.200546	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"223103"	232.21004	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1518822"	265.25259	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"419967"	235.163988	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"780600"	337.257888	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1680337"	133.070088	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266369"	472.391368	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1239442"	268.203568	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1723954"	268.227093	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190402"	91.051818	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1663574"	273.182488	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"172139"	485.29464	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609998"	689.48244	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1098763"	281.10684	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"146953"	243.150958	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"585419"	345.244858	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079774"	141.057058	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111891"	283.121392	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347182"	283.209007	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1012431"	287.248176	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1535663"	288.241808	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"998100"	144.127726	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1592603"	289.156428	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424824"	319.187938	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1157300"	164.641001	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1707944"	336.214485	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1642500"	341.16988	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1574871"	357.14382	"C16776"	"beta-Sesquiphellandrene;(-)-beta-Sesquiphellandrene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"816180"	136.1252	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M"	0
"977681"	117.10681	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"67015"	89.7428573333333	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"510951"	135.117924	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"894100"	44.3677906666667	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"13890"	135.117924	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"446889"	203.180524	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"826878"	67.055324	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"91245"	271.243124	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"532998"	407.368324	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"899863"	135.117924	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-H"	-1.007276
"52054"	288.269671	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"495988"	424.394871	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"875252"	152.144471	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"43884"	293.225066	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"486365"	429.350266	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"862341"	157.099866	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1632605"	157.099866	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"108041"	153.106263	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"547236"	221.168863	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"940751"	85.043663	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"281982"	307.219802	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"673551"	443.345002	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1284860"	171.094602	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"31347"	309.199006	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"471260"	445.324206	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"846599"	173.073806	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1568993"	173.073806	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"955421"	181.123394	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"371814"	317.248601	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"354968"	331.264251	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1507694"	195.139051	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"970615"	203.105351	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"124633"	171.094602	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"564437"	239.157202	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1034082"	103.032002	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1255118"	215.044085	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1317930"	217.100072	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1334700"	239.082029	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"922473"	249.110786	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1303556"	285.087464	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1379529"	101.112524	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1395201"	119.1225	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"291241"	273.257676	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+H"	1.007276
"681477"	409.382876	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1357825"	137.132476	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H"	1.007276
"129619"	137.132476	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"573557"	205.195076	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1045638"	69.069876	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2H"	2.014552
"210259"	91.7574093333333	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"653108"	137.132476	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1173423"	46.3823426666667	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+3H"	3.021828
"427946"	290.284223	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"796596"	426.409423	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1692927"	154.159023	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"339017"	145.6457495	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"724878"	213.7083495	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1484168"	77.5831495	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"401753"	295.239618	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"762751"	431.364818	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1613036"	159.114418	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Na"	22.989218
"320889"	148.123447	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"714400"	216.186047	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1468220"	80.060847	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1066942"	53.7096566666667	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1267526"	169.158686	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"383913"	311.213558	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+K"	38.963158
"744904"	447.338758	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1548056"	175.088358	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+K"	38.963158
"310701"	156.110417	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"704216"	224.173017	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1460954"	88.047817	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"248468"	314.284226	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1218261"	178.159026	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1201049"	89.583151	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"197200"	317.22156	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"640041"	453.34676	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1135893"	181.09636	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"176266"	159.114418	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"623119"	227.177018	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1122616"	91.051818	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1406868"	61.0369706666667	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1441171"	183.137946	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"221390"	164.14744	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1521118"	197.18999	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"420805"	167.101388	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"782532"	235.163988	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1678134"	99.038788	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"266237"	336.266168	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1240645"	200.140968	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1724792"	200.164493	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1190512"	68.3642846666667	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1663684"	205.119888	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"171639"	349.16944	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"610107"	485.29464	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1097901"	213.04424	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"147063"	175.088358	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"587716"	243.150958	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1079885"	107.025758	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1108722"	215.058792	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1346930"	215.146407	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1014728"	219.185576	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1531763"	220.179208	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"996023"	110.096426	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1589433"	221.093828	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1418374"	251.125338	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1157410"	130.609701	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1706961"	268.151885	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1637143"	273.10728	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1573888"	289.08122	"C16777"	"Sabinene;Sabinen"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"816904"	196.0736	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M"	0
"981072"	177.05521	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"68220"	129.708457333333	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"512155"	195.066324	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"895595"	64.3505906666667	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"15612"	195.066324	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"449186"	293.103124	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"825893"	97.029524	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"89168"	391.139924	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"533350"	587.213524	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"908720"	195.066324	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"52164"	408.166471	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"495005"	604.240071	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"876090"	212.092871	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"42897"	413.121866	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"484284"	609.195466	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"863545"	217.048266	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1633444"	217.048266	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"109245"	213.054663	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"548075"	311.091463	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"941226"	115.017863	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"282763"	427.116602	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"674391"	623.190202	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1287158"	231.043002	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"31423"	429.095806	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"470369"	625.169406	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"845982"	233.022206	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1569105"	233.022206	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"956991"	241.071794	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"376300"	437.145401	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"358361"	451.161051	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1506101"	255.087451	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"971089"	263.053751	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"124377"	231.043002	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"563935"	329.079802	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1034921"	133.006202	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1255592"	274.992485	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1319136"	277.048472	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1335336"	299.030429	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"922219"	309.059186	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1303910"	345.035864	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1380368"	161.060924	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1392758"	179.0709	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"291351"	393.154476	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"681587"	589.228076	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1357935"	197.080876	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"127543"	197.080876	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"573667"	295.117676	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1044655"	99.044076	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"212556"	131.723009333333	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"654312"	197.080876	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1173534"	66.3651426666667	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"426963"	410.181023	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"796706"	606.254623	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1694861"	214.107423	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"339127"	205.5941495	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"723772"	303.6309495	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1487558"	107.5573495	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"397490"	415.136418	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"762861"	611.210018	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1615333"	219.062818	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"324279"	208.071847	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"714512"	306.108647	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1463955"	110.035047	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1063768"	73.6924566666667	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1266543"	229.107086	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"384023"	431.110358	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"742463"	627.183958	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1547072"	235.036758	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"312998"	216.058817	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"704329"	314.095617	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1457423"	118.022017	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"242378"	434.181026	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1216184"	238.107426	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1198971"	119.557351	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"194030"	437.11836	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"633591"	633.19196	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1133815"	241.04476	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"176740"	219.062818	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"621042"	317.099618	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1122362"	121.026018	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1408072"	81.0197706666667	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1441281"	243.086346	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"223323"	224.09584	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1520864"	257.13839	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"420915"	227.049788	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"782642"	325.086588	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1678244"	129.012988	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"264402"	456.162968	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1240391"	260.089368	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1723809"	260.112893	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1190622"	88.3470846666667	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1663796"	265.068288	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"170656"	469.06624	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"610217"	665.13984	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1098983"	272.99264	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"147172"	235.036758	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"594387"	333.073558	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1082181"	136.999958	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1108830"	275.007192	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1348496"	275.094807	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1018118"	279.133976	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1534061"	280.127608	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"999414"	140.070626	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1595010"	281.042228	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1421764"	311.073738	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1156426"	160.583901	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1708164"	328.100285	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1640533"	333.05568	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1573998"	349.02962	"C16778"	"Cantharidin"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"816157"	218.1671	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M"	0
"980088"	199.14871	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"68330"	144.437457333333	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"511171"	217.159824	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"893348"	71.7150906666667	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"12774"	217.159824	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"449296"	326.243374	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"826003"	108.076274	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"89278"	435.326924	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"532487"	653.494024	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"909197"	217.159824	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"53364"	452.353471	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"492928"	670.520571	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"876567"	234.186371	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"43009"	457.308866	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"483664"	675.475966	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"862562"	239.141766	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1632825"	239.141766	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"109477"	235.148163	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"548185"	344.231713	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"941701"	126.064613	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"282708"	471.303602	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"674865"	689.470702	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1287268"	253.136502	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"31089"	473.282806	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"470115"	691.449906	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"845728"	255.115706	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1571165"	255.115706	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"957465"	263.165294	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"375925"	481.332401	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"360537"	495.348051	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1508036"	277.180951	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"973511"	285.147251	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"124488"	253.136502	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"562953"	362.220052	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1036131"	144.052952	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1256433"	297.085985	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1318886"	299.141972	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1334190"	321.123929	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"925612"	331.152686	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1304146"	367.129364	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1379749"	183.154424	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1392868"	201.1644	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"292555"	437.341476	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"684977"	655.508576	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1358045"	219.174376	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H"	1.007276
"127288"	219.174376	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"575964"	328.257926	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1044765"	110.090826	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"209386"	146.452009333333	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"656608"	219.174376	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1173641"	73.7296426666667	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"437643"	454.368023	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"795719"	672.535123	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1690959"	236.200923	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"338143"	227.6876495	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"726192"	336.7711995	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1489854"	118.6040995	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"398692"	459.323418	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"766251"	677.490518	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1617875"	241.156318	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"323295"	230.165347	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"716809"	339.248897	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1461879"	121.081797	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1061693"	81.0569566666667	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1266649"	251.200586	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"382672"	475.297358	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"742209"	693.464458	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1543169"	257.130258	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+K"	38.963158
"311288"	238.152317	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"702253"	347.235867	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1458988"	129.068767	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"245769"	478.368026	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1218480"	260.200926	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1199084"	130.604101	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"193048"	481.30536	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"632972"	699.47246	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1135018"	263.13826	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"181590"	241.156318	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"620423"	350.239868	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1124657"	132.072768	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1406358"	88.3842706666667	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1440297"	265.179846	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"229993"	246.18934	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1520244"	279.23189	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"423580"	249.143288	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"780567"	358.226838	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1678723"	140.059738	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"265241"	500.349968	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1241075"	282.182868	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1728328"	282.206393	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1192920"	95.7115846666667	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1664641"	287.161788	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"172231"	513.25324	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"611422"	731.42034	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1098729"	295.08614	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"149469"	257.130258	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"591217"	366.213808	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1082293"	148.046708	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1111127"	297.100692	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1348606"	297.188307	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1014948"	301.227476	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1535263"	302.221108	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1001709"	151.117376	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1597307"	303.135728	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1424060"	333.167238	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1158723"	171.630651	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1709369"	350.193785	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1640643"	355.14918	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1574108"	371.12312	"C16779"	"Dendrolasin"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"816550"	330.2195	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M"	0
"976918"	311.20111	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"65523"	219.139057333333	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"505083"	329.212224	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"886896"	109.065890666667	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"5471"	329.212224	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"447219"	494.321974	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"822833"	164.102474	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"87201"	659.431724	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"531506"	989.651224	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"907483"	329.212224	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"60037"	676.458271	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"493038"	1006.677771	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"875220"	346.238771	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"44213"	681.413666	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"484869"	1011.633166	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"863038"	351.194166	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1631842"	351.194166	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"108372"	347.200563	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"548175"	512.310313	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"941447"	182.090813	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"281709"	695.408402	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"675102"	1025.627902	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1287627"	365.188902	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"31322"	697.387606	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"470957"	1027.607106	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"848027"	367.168106	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1570669"	367.168106	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"957580"	375.217694	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"374697"	705.437201	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"361095"	719.452851	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1507902"	389.233351	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"973623"	397.199651	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"123504"	365.188902	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"564526"	530.298652	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1036730"	200.079152	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1256791"	409.138385	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1319358"	411.194372	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1335274"	433.176329	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"926823"	443.205086	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1303404"	479.181764	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1382253"	295.206824	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1394075"	313.2168	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"293032"	661.446276	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"686182"	991.665776	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1360342"	331.226776	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"129950"	331.226776	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"576074"	496.336526	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1045968"	166.117026	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"210589"	221.153609333333	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"656718"	331.226776	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1175939"	111.080442666667	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"438845"	678.472823	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"799110"	1008.692323	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1693256"	348.253323	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"336066"	339.7400495	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"724236"	504.8497995	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1487776"	174.6302995	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"398802"	683.428218	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"763081"	1013.647718	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1618187"	353.208718	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"317938"	342.217747	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"712545"	507.327497	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1465269"	177.107997	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1057788"	118.407756666667	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1263479"	363.252986	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"380594"	699.402158	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"739763"	1029.621658	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1541817"	369.182658	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"311762"	350.204717	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"702361"	515.314467	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1457272"	185.094967	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"245879"	702.472826	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1217497"	372.253326	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1202474"	186.630301	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"194251"	705.41016	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"635999"	1035.62966	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1134764"	375.19066	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"178055"	353.208718	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"619076"	518.318468	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1120028"	188.098968	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1403917"	125.735070666667	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1437856"	377.232246	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"226823"	358.24174	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1514887"	391.28429	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"421135"	361.195688	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"783227"	526.305438	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1679560"	196.085938	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"264257"	724.454768	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1239518"	394.235268	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1728284"	394.258793	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1189749"	133.062384666667	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1664745"	399.214188	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"172335"	737.35804	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"611775"	1067.57754	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1094951"	407.13854	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"149579"	369.182658	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"589140"	534.292408	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1082401"	204.072908	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1109050"	409.153092	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1343249"	409.240707	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1011777"	413.279876	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1537557"	414.273508	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"997445"	207.143576	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1600695"	415.188128	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1426356"	445.219638	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1158831"	227.656851	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1711663"	462.246185	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1637473"	467.20158	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1573125"	483.17552	"C16780"	"Jasmolin I"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"816622"	374.2093	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M"	0
"981402"	355.19091	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-H2O-H"	-19.01839
"67455"	248.465590666667	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M-3H"	-3.021828
"508111"	373.202024	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M-3H"	-3.021828
"893567"	123.729157333333	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-3H"	-3.021828
"12143"	373.202024	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M-2H"	-2.014552
"447329"	560.306674	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M-2H"	-2.014552
"824037"	186.097374	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-2H"	-2.014552
"88404"	747.411324	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M-H"	-1.007276
"532465"	1121.620624	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M-H"	-1.007276
"903583"	373.202024	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-H"	-1.007276
"60874"	764.437871	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M-2H+NH4"	16.019271
"493148"	1138.647171	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M-2H+NH4"	16.019271
"877396"	390.228571	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-2H+NH4"	16.019271
"45175"	769.393266	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M-2H+Na"	20.974666
"485953"	1143.602566	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M-2H+Na"	20.974666
"863882"	395.183966	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-2H+Na"	20.974666
"1633778"	395.183966	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Na-2H"	20.974666
"109920"	391.190363	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M-H+Cl"	33.962126
"549826"	578.295013	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M-H+Cl"	33.962126
"940827"	204.085713	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-H+Cl"	33.962126
"282305"	783.388002	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+Cl"	34.969402
"675219"	1157.597302	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+Cl"	34.969402
"1288108"	409.178702	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Cl"	34.969402
"31202"	785.367206	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M-2H+K"	36.948606
"470342"	1159.576506	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M-2H+K"	36.948606
"846809"	411.157906	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-2H+K"	36.948606
"1570783"	411.157906	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+K-2H"	36.948606
"958275"	419.207494	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-H+HCOOH"	44.998194
"376394"	793.416801	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+HCOOH-H"	44.998201
"359912"	807.432451	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+Hac-H"	59.013851
"1508259"	433.223151	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Hac-H"	59.013851
"973004"	441.189451	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-H+NaCOOH"	66.980151
"125528"	409.178702	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+2Cl"	69.938804
"565516"	596.283352	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+2Cl"	69.938804
"1036884"	222.074052	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2Cl"	69.938804
"1256948"	453.128185	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Br"	78.918885
"1318983"	455.184172	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Cl+HCOOH"	80.974872
"1335589"	477.166129	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Cl+NaCOOH"	102.956829
"926864"	487.194886	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M-H+CF3COOH"	112.985586
"1302785"	523.171564	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Cl+CF3COOH"	148.962264
"1379970"	339.196624	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H-2H2O"	-35.012676
"1395279"	357.2066	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H-H2O"	-17.0027
"292414"	749.425876	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+H"	1.007276
"684106"	1123.635176	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+H"	1.007276
"1359360"	375.216576	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H"	1.007276
"135164"	375.216576	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+2H"	2.014552
"578008"	562.321226	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+2H"	2.014552
"1047539"	188.111926	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2H"	2.014552
"216167"	250.480142666667	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+3H"	3.021828
"657921"	375.216576	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+3H"	3.021828
"1178358"	125.743709333333	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+3H"	3.021828
"439741"	766.452423	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+NH4"	18.033823
"801126"	1140.661723	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+NH4"	18.033823
"1695919"	392.243123	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+NH4"	18.033823
"344561"	383.7298495	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+H+NH4"	19.041099
"727505"	570.8344995	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+H+NH4"	19.041099
"1487886"	196.6251995	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H+NH4"	19.041099
"404380"	771.407818	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+Na"	22.989218
"766472"	1145.617118	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+Na"	22.989218
"1613476"	397.198518	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Na"	22.989218
"320234"	386.207547	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+H+Na"	23.996494
"711560"	573.312197	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+H+Na"	23.996494
"1465379"	199.102897	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H+Na"	23.996494
"1057168"	133.071023333333	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2H+Na"	25.00377
"1263589"	407.242786	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+CH3OH+H"	33.033486
"381068"	787.381758	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+K"	38.963158
"739871"	1161.591058	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+K"	38.963158
"1541563"	413.172458	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+K"	38.963158
"311143"	394.194517	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+H+K"	39.970434
"703564"	581.299167	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+H+K"	39.970434
"1456289"	207.089867	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H+K"	39.970434
"248546"	790.452426	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+ACN+H"	42.033826
"1223077"	416.243126	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+ACN+H"	42.033826
"1205865"	208.625201	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+ACN+2H"	43.041102
"194362"	793.38976	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+2Na-H"	44.97116
"631368"	1167.59906	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+2Na-H"	44.97116
"1135239"	419.18046	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2Na-H"	44.97116
"180716"	397.198518	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+2Na"	45.978436
"618820"	584.303168	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+2Na"	45.978436
"1122690"	210.093868	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2Na"	45.978436
"1407307"	140.398337333333	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H+2Na"	46.985712
"1438330"	421.222046	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H+HCOOH"	47.012746
"222557"	402.23154	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+3H2O+2H"	56.04448
"1510621"	435.27409	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+IsoProp+H"	61.06479
"409577"	405.185488	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+Na+K"	61.952376
"784427"	592.290138	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+Na+K"	61.952376
"1676387"	218.080838	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Na+K"	61.952376
"266075"	812.434368	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+ACN+Na"	64.015768
"1239264"	438.225068	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+ACN+Na"	64.015768
"1726936"	438.248593	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+NH4+HCOOH"	64.039293
"1190952"	147.725651333333	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+3Na"	68.967654
"1663035"	443.203988	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Na+HCOOH"	68.994688
"169894"	825.33764	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+2K-H"	76.91904
"610550"	1199.54694	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+2K-H"	76.91904
"1095790"	451.12834	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2K-H"	76.91904
"147502"	413.172458	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"2M+2K"	77.926316
"588157"	600.277108	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"3M+2K"	77.926316
"1079960"	226.067808	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2K"	77.926316
"1109160"	453.142892	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2K+H"	78.933592
"1345545"	453.230507	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+DMSO+H"	79.021207
"1010794"	457.269676	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2ACN+H"	83.060376
"1535481"	458.263308	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+IsoProp+Na+H"	84.054008
"1000835"	229.138476	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+2ACN+2H"	84.067652
"1597525"	459.177928	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+K+HCOOH"	84.968628
"1424279"	489.209438	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+H+CF3COOH"	115.000138
"1155661"	249.651751	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+3ACN+2H"	125.094202
"1711652"	506.235985	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+NH4+CF3COOH"	132.026685
"1637583"	511.19138	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+Na+CF3COOH"	136.98208
"1573235"	527.16532	"C16781"	"Jasmolin II"	"C22H30O5"	"374.2093"	"M+K+CF3COOH"	152.95602
"815633"	253.277	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M"	0
"975070"	234.25861	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-H2O-H"	-19.01839
"63433"	167.844057333333	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M-3H"	-3.021828
"510405"	252.269724	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M-3H"	-3.021828
"884928"	83.4183906666667	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-3H"	-3.021828
"6785"	252.269724	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M-2H"	-2.014552
"444159"	378.908224	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M-2H"	-2.014552
"821960"	125.631224	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-2H"	-2.014552
"86327"	505.546724	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M-H"	-1.007276
"532449"	758.823724	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M-H"	-1.007276
"905878"	252.269724	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-H"	-1.007276
"55880"	522.573271	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M-2H+NH4"	16.019271
"493258"	775.850271	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M-2H+NH4"	16.019271
"868872"	269.296271	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-2H+NH4"	16.019271
"41876"	527.528666	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M-2H+Na"	20.974666
"485088"	780.805666	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M-2H+Na"	20.974666
"862526"	274.251666	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-2H+Na"	20.974666
"1633523"	274.251666	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Na-2H"	20.974666
"109810"	270.258063	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M-H+Cl"	33.962126
"549571"	396.896563	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M-H+Cl"	33.962126
"941423"	143.619563	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-H+Cl"	33.962126
"281689"	541.523402	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+Cl"	34.969402
"675206"	794.800402	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+Cl"	34.969402
"1287002"	288.246402	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Cl"	34.969402
"30412"	543.502606	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M-2H+K"	36.948606
"470575"	796.779606	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M-2H+K"	36.948606
"848212"	290.225606	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-2H+K"	36.948606
"1570771"	290.225606	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+K-2H"	36.948606
"957963"	298.275194	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-H+HCOOH"	44.998194
"376503"	551.552201	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+HCOOH-H"	44.998201
"360993"	565.567851	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+Hac-H"	59.013851
"1507766"	312.290851	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Hac-H"	59.013851
"971895"	320.257151	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-H+NaCOOH"	66.980151
"124822"	288.246402	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+2Cl"	69.938804
"565312"	414.884902	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+2Cl"	69.938804
"1036344"	161.607902	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2Cl"	69.938804
"1256807"	332.195885	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Br"	78.918885
"1319090"	334.251872	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Cl+HCOOH"	80.974872
"1335254"	356.233829	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Cl+NaCOOH"	102.956829
"924851"	366.262586	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M-H+CF3COOH"	112.985586
"1303867"	402.239264	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Cl+CF3COOH"	148.962264
"1380809"	218.264324	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H-2H2O"	-35.012676
"1396726"	236.2743	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H-H2O"	-17.0027
"293982"	507.561276	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+H"	1.007276
"682028"	760.838276	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+H"	1.007276
"1362022"	254.284276	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H"	1.007276
"135274"	254.284276	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+2H"	2.014552
"577389"	380.922776	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+2H"	2.014552
"1048013"	127.645776	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2H"	2.014552
"215184"	169.858609333333	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+3H"	3.021828
"656938"	254.284276	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+3H"	3.021828
"1177495"	85.4329426666667	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+3H"	3.021828
"439722"	524.587823	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+NH4"	18.033823
"799330"	777.864823	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+NH4"	18.033823
"1694207"	271.310823	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+NH4"	18.033823
"344672"	262.7975495	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+H+NH4"	19.041099
"726522"	389.4360495	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+H+NH4"	19.041099
"1487996"	136.1590495	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H+NH4"	19.041099
"404490"	529.543218	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+Na"	22.989218
"766582"	782.820218	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+Na"	22.989218
"1612493"	276.266218	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Na"	22.989218
"318521"	265.275247	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+H+Na"	23.996494
"710576"	391.913747	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+H+Na"	23.996494
"1462446"	138.636747	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H+Na"	23.996494
"1058007"	92.7602566666666	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2H+Na"	25.00377
"1262605"	286.310486	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+CH3OH+H"	33.033486
"382271"	545.517158	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+K"	38.963158
"738724"	798.794158	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+K"	38.963158
"1541671"	292.240158	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+K"	38.963158
"309066"	273.262217	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+H+K"	39.970434
"702581"	399.900717	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+H+K"	39.970434
"1455306"	146.623717	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H+K"	39.970434
"248653"	548.587826	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+ACN+H"	42.033826
"1222458"	295.310826	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+ACN+H"	42.033826
"1206705"	148.159051	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+ACN+2H"	43.041102
"198846"	551.52516	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+2Na-H"	44.97116
"632207"	804.80216	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+2Na-H"	44.97116
"1132918"	298.24816	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2Na-H"	44.97116
"179731"	276.266218	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+2Na"	45.978436
"617106"	402.904718	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+2Na"	45.978436
"1123528"	149.627718	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2Na"	45.978436
"1404500"	100.087570666667	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H+2Na"	46.985712
"1438440"	300.289746	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H+HCOOH"	47.012746
"220843"	281.29924	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+3H2O+2H"	56.04448
"1509637"	314.34179	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+IsoProp+H"	61.06479
"409687"	284.253188	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+Na+K"	61.952376
"774696"	410.891688	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+Na+K"	61.952376
"1677587"	157.614688	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Na+K"	61.952376
"265202"	570.569768	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+ACN+Na"	64.015768
"1239006"	317.292768	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+ACN+Na"	64.015768
"1726072"	317.316293	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+NH4+HCOOH"	64.039293
"1191791"	107.414884666667	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+3Na"	68.967654
"1663873"	322.271688	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Na+HCOOH"	68.994688
"170733"	583.47304	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+2K-H"	76.91904
"610661"	836.75004	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+2K-H"	76.91904
"1096264"	330.19604	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2K-H"	76.91904
"148705"	292.240158	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"2M+2K"	77.926316
"588267"	418.878658	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"3M+2K"	77.926316
"1080434"	165.601658	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2K"	77.926316
"1109270"	332.210592	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2K+H"	78.933592
"1344562"	332.298207	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+DMSO+H"	79.021207
"1010904"	336.337376	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2ACN+H"	83.060376
"1533405"	337.331008	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+IsoProp+Na+H"	84.054008
"999851"	168.672326	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+2ACN+2H"	84.067652
"1597635"	338.245628	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+K+HCOOH"	84.968628
"1424389"	368.277138	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+H+CF3COOH"	115.000138
"1155771"	189.185601	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+3ACN+2H"	125.094202
"1711884"	385.303685	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+NH4+CF3COOH"	132.026685
"1637693"	390.25908	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+Na+CF3COOH"	136.98208
"1573345"	406.23302	"C16782"	"(-)-Solenopsin A"	"C17H35N"	"253.277"	"M+K+CF3COOH"	152.95602
"801645"	490.3658	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M"	0
"974235"	471.34741	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-H2O-H"	-19.01839
"65489"	325.903257333333	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M-3H"	-3.021828
"512701"	489.358524	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M-3H"	-3.021828
"886131"	162.447990666667	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-3H"	-3.021828
"816"	489.358524	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M-2H"	-2.014552
"442079"	734.541424	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M-2H"	-2.014552
"817098"	244.175624	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-2H"	-2.014552
"79023"	979.724324	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M-H"	-1.007276
"522715"	1470.090124	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M-H"	-1.007276
"900519"	489.358524	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-H"	-1.007276
"47478"	996.750871	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M-2H+NH4"	16.019271
"487242"	1487.116671	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M-2H+NH4"	16.019271
"865821"	506.385071	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-2H+NH4"	16.019271
"33601"	1001.706266	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M-2H+Na"	20.974666
"479725"	1492.072066	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M-2H+Na"	20.974666
"862635"	511.340466	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-2H+Na"	20.974666
"1634119"	511.340466	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Na-2H"	20.974666
"107239"	507.346863	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M-H+Cl"	33.962126
"549926"	752.529763	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M-H+Cl"	33.962126
"942771"	262.163963	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-H+Cl"	33.962126
"282401"	1015.701002	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+Cl"	34.969402
"675352"	1506.066802	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+Cl"	34.969402
"1288315"	525.335202	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Cl"	34.969402
"31237"	1017.680206	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M-2H+K"	36.948606
"471261"	1508.046006	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M-2H+K"	36.948606
"847629"	527.314406	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-2H+K"	36.948606
"1570387"	527.314406	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+K-2H"	36.948606
"957054"	535.363994	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-H+HCOOH"	44.998194
"373928"	1025.729801	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+HCOOH-H"	44.998201
"360006"	1039.745451	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+Hac-H"	59.013851
"1505193"	549.379651	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Hac-H"	59.013851
"973463"	557.345951	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-H+NaCOOH"	66.980151
"124803"	525.335202	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+2Cl"	69.938804
"565338"	770.518102	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+2Cl"	69.938804
"1036687"	280.152302	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2Cl"	69.938804
"1255658"	569.284685	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Br"	78.918885
"1318589"	571.340672	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Cl+HCOOH"	80.974872
"1332439"	593.322629	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Cl+NaCOOH"	102.956829
"925684"	603.351386	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M-H+CF3COOH"	112.985586
"1301298"	639.328064	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Cl+CF3COOH"	148.962264
"1375812"	455.353124	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H-2H2O"	-35.012676
"1390026"	473.3631	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H-H2O"	-17.0027
"291899"	981.738876	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+H"	1.007276
"686508"	1472.104676	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+H"	1.007276
"1355202"	491.373076	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H"	1.007276
"130277"	491.373076	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+2H"	2.014552
"567285"	736.555976	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+2H"	2.014552
"1045203"	246.190176	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2H"	2.014552
"214927"	327.917809333333	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+3H"	3.021828
"647205"	491.373076	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+3H"	3.021828
"1169702"	164.462542666667	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+3H"	3.021828
"425321"	998.765423	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+NH4"	18.033823
"787411"	1489.131223	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+NH4"	18.033823
"1694677"	508.399623	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+NH4"	18.033823
"342955"	499.8863495	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+H+NH4"	19.041099
"726632"	745.0692495	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+H+NH4"	19.041099
"1488106"	254.7034495	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H+NH4"	19.041099
"404236"	1003.720818	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+Na"	22.989218
"762316"	1494.086618	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+Na"	22.989218
"1607135"	513.355018	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Na"	22.989218
"314493"	502.364047	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+H+Na"	23.996494
"707169"	747.546947	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+H+Na"	23.996494
"1461448"	257.181147	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H+Na"	23.996494
"1052774"	171.789856666667	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2H+Na"	25.00377
"1257725"	523.399286	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+CH3OH+H"	33.033486
"377515"	1019.694758	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+K"	38.963158
"738680"	1510.060558	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+K"	38.963158
"1539976"	529.328958	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+K"	38.963158
"309905"	510.351017	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+H+K"	39.970434
"701597"	755.533917	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+H+K"	39.970434
"1454322"	265.168117	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H+K"	39.970434
"248034"	1022.765426	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+ACN+H"	42.033826
"1223661"	532.399626	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+ACN+H"	42.033826
"1206815"	266.703451	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+ACN+2H"	43.041102
"201144"	1025.70276	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+2Na-H"	44.97116
"635234"	1516.06856	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+2Na-H"	44.97116
"1139105"	535.33696	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2Na-H"	44.97116
"179841"	513.355018	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+2Na"	45.978436
"621592"	758.537918	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+2Na"	45.978436
"1123638"	268.172118	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2Na"	45.978436
"1404974"	179.117170666667	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H+2Na"	46.985712
"1438550"	537.378546	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H+HCOOH"	47.012746
"220953"	518.38804	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+3H2O+2H"	56.04448
"1511569"	551.43059	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+IsoProp+H"	61.06479
"410161"	521.341988	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+Na+K"	61.952376
"778086"	766.524888	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+Na+K"	61.952376
"1679763"	276.159088	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Na+K"	61.952376
"262033"	1044.747368	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+ACN+Na"	64.015768
"1234742"	554.381568	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+ACN+Na"	64.015768
"1722534"	554.405093	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+NH4+HCOOH"	64.039293
"1191170"	186.444484666667	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+3Na"	68.967654
"1662156"	559.360488	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Na+HCOOH"	68.994688
"172423"	1057.65064	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+2K-H"	76.91904
"610767"	1548.01644	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+2K-H"	76.91904
"1096374"	567.28484	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2K-H"	76.91904
"146628"	529.328958	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"2M+2K"	77.926316
"589470"	774.511858	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"3M+2K"	77.926316
"1077263"	284.146058	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2K"	77.926316
"1106099"	569.299392	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2K+H"	78.933592
"1344671"	569.387007	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+DMSO+H"	79.021207
"1009920"	573.426176	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2ACN+H"	83.060376
"1534607"	574.419808	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+IsoProp+Na+H"	84.054008
"999960"	287.216726	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+2ACN+2H"	84.067652
"1597745"	575.334428	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+K+HCOOH"	84.968628
"1427781"	605.365938	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+H+CF3COOH"	115.000138
"1155880"	307.730001	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+3ACN+2H"	125.094202
"1711629"	622.392485	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+NH4+CF3COOH"	132.026685
"1636709"	627.34788	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+Na+CF3COOH"	136.98208
"1573455"	643.32182	"C16783"	"Meliantriol"	"C30H50O5"	"490.3658"	"M+K+CF3COOH"	152.95602
"801794"	768.466	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M"	0
"974924"	749.44761	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-H2O-H"	-19.01839
"65599"	511.303390666667	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M-3H"	-3.021828
"510625"	767.458724	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M-3H"	-3.021828
"885148"	255.148057333333	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-3H"	-3.021828
"805"	767.458724	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M-2H"	-2.014552
"442189"	1151.691724	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M-2H"	-2.014552
"818044"	383.225724	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-2H"	-2.014552
"78720"	1535.924724	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M-H"	-1.007276
"518769"	2304.390724	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M-H"	-1.007276
"900629"	767.458724	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-H"	-1.007276
"47302"	1552.951271	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M-2H+NH4"	16.019271
"487311"	2321.417271	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M-2H+NH4"	16.019271
"864239"	784.485271	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-2H+NH4"	16.019271
"31557"	1557.906666	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M-2H+Na"	20.974666
"480928"	2326.372666	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M-2H+Na"	20.974666
"859829"	789.440666	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-2H+Na"	20.974666
"1631185"	789.440666	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Na-2H"	20.974666
"107713"	785.447063	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M-H+Cl"	33.962126
"549751"	1169.680063	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M-H+Cl"	33.962126
"942251"	401.214063	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-H+Cl"	33.962126
"280804"	1571.901402	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+Cl"	34.969402
"675299"	2340.367402	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+Cl"	34.969402
"1288064"	803.435402	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Cl"	34.969402
"30740"	1573.880606	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M-2H+K"	36.948606
"470907"	2342.346606	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M-2H+K"	36.948606
"848060"	805.414606	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-2H+K"	36.948606
"1571105"	805.414606	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+K-2H"	36.948606
"958054"	813.464194	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-H+HCOOH"	44.998194
"372944"	1581.930201	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+HCOOH-H"	44.998201
"359995"	1595.945851	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+Hac-H"	59.013851
"1506396"	827.479851	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Hac-H"	59.013851
"973209"	835.446151	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-H+NaCOOH"	66.980151
"123575"	803.435402	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+2Cl"	69.938804
"564476"	1187.668402	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+2Cl"	69.938804
"1036188"	419.202402	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2Cl"	69.938804
"1255160"	847.384885	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Br"	78.918885
"1318335"	849.440872	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Cl+HCOOH"	80.974872
"1334006"	871.422829	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Cl+NaCOOH"	102.956829
"925428"	881.451586	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M-H+CF3COOH"	112.985586
"1303595"	917.428264	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Cl+CF3COOH"	148.962264
"1377015"	733.453324	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H-2H2O"	-35.012676
"1391231"	751.4633	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H-H2O"	-17.0027
"286542"	1537.939276	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+H"	1.007276
"682242"	2306.405276	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+H"	1.007276
"1358592"	769.473276	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H"	1.007276
"130388"	769.473276	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+2H"	2.014552
"568854"	1153.706276	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+2H"	2.014552
"1045313"	385.240276	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2H"	2.014552
"212121"	513.317942666667	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+3H"	3.021828
"647315"	769.473276	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+3H"	3.021828
"1166532"	257.162609333333	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+3H"	3.021828
"425431"	1554.965823	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+NH4"	18.033823
"786018"	2323.431823	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+NH4"	18.033823
"1694423"	786.499823	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+NH4"	18.033823
"342701"	777.9865495	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+H+NH4"	19.041099
"727835"	1162.2195495	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+H+NH4"	19.041099
"1484936"	393.7535495	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H+NH4"	19.041099
"404710"	1559.921218	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+Na"	22.989218
"760238"	2328.387218	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+Na"	22.989218
"1608337"	791.455218	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Na"	22.989218
"314523"	780.464247	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+H+Na"	23.996494
"707630"	1164.697247	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+H+Na"	23.996494
"1462173"	396.231247	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H+Na"	23.996494
"1052840"	264.489923333333	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2H+Na"	25.00377
"1257469"	801.499486	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+CH3OH+H"	33.033486
"377257"	1575.895158	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+K"	38.963158
"738532"	2344.361158	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+K"	38.963158
"1539974"	807.429158	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+K"	38.963158
"298604"	788.451217	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+H+K"	39.970434
"702800"	1172.684217	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+H+K"	39.970434
"1454432"	404.218217	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H+K"	39.970434
"249237"	1578.965826	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+ACN+H"	42.033826
"1224137"	810.499826	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+ACN+H"	42.033826
"1206561"	405.753551	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+ACN+2H"	43.041102
"201983"	1581.90316	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+2Na-H"	44.97116
"634251"	2350.36916	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+2Na-H"	44.97116
"1137027"	813.43716	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2Na-H"	44.97116
"176671"	791.455218	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+2Na"	45.978436
"618786"	1175.688218	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+2Na"	45.978436
"1123020"	407.222218	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2Na"	45.978436
"1403264"	271.817237333333	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H+2Na"	46.985712
"1438660"	815.478746	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H+HCOOH"	47.012746
"220614"	796.48824	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+3H2O+2H"	56.04448
"1512044"	829.53079	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+IsoProp+H"	61.06479
"412093"	799.442188	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+Na+K"	61.952376
"778196"	1183.675188	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+Na+K"	61.952376
"1673432"	415.209188	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Na+K"	61.952376
"257765"	1600.947768	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+ACN+Na"	64.015768
"1235944"	832.481768	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+ACN+Na"	64.015768
"1723736"	832.505293	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+NH4+HCOOH"	64.039293
"1190186"	279.144551333333	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+3Na"	68.967654
"1662266"	837.460688	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Na+HCOOH"	68.994688
"168035"	1613.85104	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+2K-H"	76.91904
"610149"	2382.31704	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+2K-H"	76.91904
"1096483"	845.38504	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2K-H"	76.91904
"146738"	807.429158	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"2M+2K"	77.926316
"589580"	1191.662158	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"3M+2K"	77.926316
"1080653"	423.196158	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2K"	77.926316
"1108395"	847.399592	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2K+H"	78.933592
"1343687"	847.487207	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+DMSO+H"	79.021207
"1010030"	851.526376	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2ACN+H"	83.060376
"1532531"	852.520008	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+IsoProp+Na+H"	84.054008
"996790"	426.266826	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+2ACN+2H"	84.067652
"1598948"	853.434628	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+K+HCOOH"	84.968628
"1429349"	883.466138	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+H+CF3COOH"	115.000138
"1155990"	446.780101	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+3ACN+2H"	125.094202
"1712551"	900.492685	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+NH4+CF3COOH"	132.026685
"1637912"	905.44808	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+Na+CF3COOH"	136.98208
"1572472"	921.42202	"C16784"	"HMT-toxin"	"C41H68O13"	"768.466"	"M+K+CF3COOH"	152.95602
"802593"	586.4445	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M"	0
"974828"	567.42611	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-H2O-H"	-19.01839
"67895"	389.955724	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M-3H"	-3.021828
"505271"	585.437224	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M-3H"	-3.021828
"884166"	194.474224	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-3H"	-3.021828
"8208"	585.437224	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M-2H"	-2.014552
"440514"	878.659474	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M-2H"	-2.014552
"817791"	292.214974	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-2H"	-2.014552
"85563"	1171.881724	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M-H"	-1.007276
"527311"	1758.326224	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M-H"	-1.007276
"897825"	585.437224	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-H"	-1.007276
"55115"	1188.908271	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M-2H+NH4"	16.019271
"493581"	1775.352771	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M-2H+NH4"	16.019271
"866286"	602.463771	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-2H+NH4"	16.019271
"37102"	1193.863666	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M-2H+Na"	20.974666
"479945"	1780.308166	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M-2H+Na"	20.974666
"858845"	607.419166	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-2H+Na"	20.974666
"1633488"	607.419166	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Na-2H"	20.974666
"109655"	603.425563	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M-H+Cl"	33.962126
"549087"	896.647813	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M-H+Cl"	33.962126
"941511"	310.203313	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-H+Cl"	33.962126
"282135"	1207.858402	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+Cl"	34.969402
"673949"	1794.302902	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+Cl"	34.969402
"1287808"	621.413902	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Cl"	34.969402
"29878"	1209.837606	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M-2H+K"	36.948606
"469317"	1796.282106	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M-2H+K"	36.948606
"846754"	623.393106	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-2H+K"	36.948606
"1569149"	623.393106	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+K-2H"	36.948606
"957031"	631.442694	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-H+HCOOH"	44.998194
"375245"	1217.887201	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+HCOOH-H"	44.998201
"355845"	1231.902851	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+Hac-H"	59.013851
"1501403"	645.458351	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Hac-H"	59.013851
"970769"	653.424651	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-H+NaCOOH"	66.980151
"121500"	621.413902	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+2Cl"	69.938804
"561061"	914.636152	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+2Cl"	69.938804
"1031318"	328.191652	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2Cl"	69.938804
"1253809"	665.363385	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Br"	78.918885
"1317717"	667.419372	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Cl+HCOOH"	80.974872
"1331201"	689.401329	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Cl+NaCOOH"	102.956829
"922987"	699.430086	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M-H+CF3COOH"	112.985586
"1303343"	735.406764	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Cl+CF3COOH"	148.962264
"1380042"	551.431824	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H-2H2O"	-35.012676
"1395351"	569.4418	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H-H2O"	-17.0027
"292118"	1173.896276	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+H"	1.007276
"686727"	1760.340776	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+H"	1.007276
"1361985"	587.451776	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H"	1.007276
"132686"	587.451776	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+2H"	2.014552
"568965"	880.674026	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+2H"	2.014552
"1048339"	294.229526	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2H"	2.014552
"210043"	391.970276	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+3H"	3.021828
"655083"	587.451776	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+3H"	3.021828
"1177341"	196.488776	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+3H"	3.021828
"435386"	1190.922823	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+NH4"	18.033823
"800395"	1777.367323	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+NH4"	18.033823
"1694538"	604.478323	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+NH4"	18.033823
"344638"	595.9650495	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+H+NH4"	19.041099
"730132"	889.1872995	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+H+NH4"	19.041099
"1489422"	302.7427995	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H+NH4"	19.041099
"404458"	1195.878218	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+Na"	22.989218
"760352"	1782.322718	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+Na"	22.989218
"1611730"	609.433718	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Na"	22.989218
"317028"	598.442747	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+H+Na"	23.996494
"709082"	891.664997	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+H+Na"	23.996494
"1461924"	305.220497	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H+Na"	23.996494
"1054691"	203.81609	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2H+Na"	25.00377
"1257578"	619.477986	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+CH3OH+H"	33.033486
"378224"	1211.852158	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+K"	38.963158
"738851"	1798.296658	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+K"	38.963158
"1540536"	625.407658	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+K"	38.963158
"298843"	606.429717	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+H+K"	39.970434
"702910"	899.651967	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+H+K"	39.970434
"1451265"	313.207467	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H+K"	39.970434
"249713"	1214.922826	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+ACN+H"	42.033826
"1222419"	628.478326	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+ACN+H"	42.033826
"1201931"	314.742801	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+ACN+2H"	43.041102
"198812"	1217.86016	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+2Na-H"	44.97116
"636548"	1804.30466	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+2Na-H"	44.97116
"1136408"	631.41566	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2Na-H"	44.97116
"178973"	609.433718	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+2Na"	45.978436
"615249"	902.655968	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+2Na"	45.978436
"1122038"	316.211468	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2Na"	45.978436
"1405562"	211.143404	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H+2Na"	46.985712
"1434032"	633.457246	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H+HCOOH"	47.012746
"220930"	614.46674	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+3H2O+2H"	56.04448
"1513612"	647.50929	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+IsoProp+H"	61.06479
"411111"	617.420688	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+Na+K"	61.952376
"778307"	910.642938	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+Na+K"	61.952376
"1672448"	324.198438	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Na+K"	61.952376
"262250"	1236.904768	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+ACN+Na"	64.015768
"1236054"	650.460268	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+ACN+Na"	64.015768
"1724941"	650.483793	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+NH4+HCOOH"	64.039293
"1189204"	218.470718	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+3Na"	68.967654
"1660192"	655.439188	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Na+HCOOH"	68.994688
"168513"	1249.80804	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+2K-H"	76.91904
"609167"	1836.25254	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+2K-H"	76.91904
"1094409"	663.36354	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2K-H"	76.91904
"147944"	625.407658	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"2M+2K"	77.926316
"590786"	918.629908	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"3M+2K"	77.926316
"1077486"	332.185408	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2K"	77.926316
"1101218"	665.378092	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2K+H"	78.933592
"1338331"	665.465707	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+DMSO+H"	79.021207
"1010142"	669.504876	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2ACN+H"	83.060376
"1530455"	670.498508	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+IsoProp+Na+H"	84.054008
"996903"	335.256076	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+2ACN+2H"	84.067652
"1594687"	671.413128	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+K+HCOOH"	84.968628
"1420346"	701.444638	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+H+CF3COOH"	115.000138
"1161569"	355.769351	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+3ACN+2H"	125.094202
"1706746"	718.471185	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+NH4+CF3COOH"	132.026685
"1636929"	723.42658	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+Na+CF3COOH"	136.98208
"1572582"	739.40052	"C16785"	"PM-toxin B"	"C33H62O8"	"586.4445"	"M+K+CF3COOH"	152.95602
"802948"	445.2213	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M"	0
"974901"	426.20291	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-H2O-H"	-19.01839
"68005"	295.806924	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M-3H"	-3.021828
"506474"	444.214024	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M-3H"	-3.021828
"887555"	147.399824	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-3H"	-3.021828
"8317"	444.214024	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M-2H"	-2.014552
"440707"	666.824674	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M-2H"	-2.014552
"818388"	221.603374	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-2H"	-2.014552
"88952"	889.435324	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M-H"	-1.007276
"526326"	1334.656624	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M-H"	-1.007276
"895858"	444.214024	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-H"	-1.007276
"47680"	906.461871	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M-2H+NH4"	16.019271
"487736"	1351.683171	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M-2H+NH4"	16.019271
"867489"	461.240571	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-2H+NH4"	16.019271
"33201"	911.417266	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M-2H+Na"	20.974666
"480055"	1356.638566	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M-2H+Na"	20.974666
"857858"	466.195966	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-2H+Na"	20.974666
"1626300"	466.195966	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Na-2H"	20.974666
"107204"	462.202363	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M-H+Cl"	33.962126
"548467"	684.813013	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M-H+Cl"	33.962126
"941499"	239.591713	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-H+Cl"	33.962126
"278836"	925.412002	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+Cl"	34.969402
"674910"	1370.633302	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+Cl"	34.969402
"1287555"	480.190702	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Cl"	34.969402
"28407"	927.391206	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M-2H+K"	36.948606
"470154"	1372.612506	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M-2H+K"	36.948606
"848460"	482.169906	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-2H+K"	36.948606
"1571124"	482.169906	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+K-2H"	36.948606
"957503"	490.219494	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-H+HCOOH"	44.998194
"374625"	935.440801	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+HCOOH-H"	44.998201
"356320"	949.456451	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+Hac-H"	59.013851
"1504429"	504.235151	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Hac-H"	59.013851
"970148"	512.201451	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-H+NaCOOH"	66.980151
"121608"	480.190702	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+2Cl"	69.938804
"560441"	702.801352	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+2Cl"	69.938804
"1033976"	257.580052	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2Cl"	69.938804
"1254647"	524.140185	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Br"	78.918885
"1319882"	526.196172	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Cl+HCOOH"	80.974872
"1334957"	548.178129	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Cl+NaCOOH"	102.956829
"917995"	558.206886	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M-H+CF3COOH"	112.985586
"1303330"	594.183564	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Cl+CF3COOH"	148.962264
"1379424"	410.208624	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H-2H2O"	-35.012676
"1394368"	428.2186	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H-H2O"	-17.0027
"294781"	891.449876	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+H"	1.007276
"684649"	1336.671176	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+H"	1.007276
"1358449"	446.228576	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H"	1.007276
"133889"	446.228576	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+2H"	2.014552
"569075"	668.839226	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+2H"	2.014552
"1048449"	223.617926	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2H"	2.014552
"215987"	297.821476	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+3H"	3.021828
"654100"	446.228576	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+3H"	3.021828
"1174411"	149.414376	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+3H"	3.021828
"435496"	908.476423	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+NH4"	18.033823
"798316"	1353.697723	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+NH4"	18.033823
"1695008"	463.255123	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+NH4"	18.033823
"344745"	454.7418495	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+H+NH4"	19.041099
"733522"	677.3524995	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+H+NH4"	19.041099
"1489532"	232.1311995	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H+NH4"	19.041099
"406025"	913.431818	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+Na"	22.989218
"762648"	1358.653118	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+Na"	22.989218
"1612933"	468.210518	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Na"	22.989218
"316410"	457.219547	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+H+Na"	23.996494
"708949"	679.830197	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+H+Na"	23.996494
"1463129"	234.608897	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H+Na"	23.996494
"1054073"	156.74169	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2H+Na"	25.00377
"1259026"	478.254786	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+CH3OH+H"	33.033486
"377646"	929.405758	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+K"	38.963158
"739328"	1374.627058	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+K"	38.963158
"1541377"	484.184458	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+K"	38.963158
"299160"	465.206517	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+H+K"	39.970434
"701927"	687.817167	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+H+K"	39.970434
"1453561"	242.595867	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H+K"	39.970434
"249459"	932.476426	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+ACN+H"	42.033826
"1222894"	487.255126	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+ACN+H"	42.033826
"1199125"	244.131201	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+ACN+2H"	43.041102
"198192"	935.41376	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+2Na-H"	44.97116
"637752"	1380.63506	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+2Na-H"	44.97116
"1136518"	490.19246	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2Na-H"	44.97116
"178717"	468.210518	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+2Na"	45.978436
"615359"	690.821168	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+2Na"	45.978436
"1122148"	245.599868	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2Na"	45.978436
"1405672"	164.069004	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H+2Na"	46.985712
"1433414"	492.234046	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H+HCOOH"	47.012746
"221648"	473.24354	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+3H2O+2H"	56.04448
"1512265"	506.28609	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+IsoProp+H"	61.06479
"410613"	476.197488	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+Na+K"	61.952376
"777321"	698.808138	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+Na+K"	61.952376
"1670371"	253.586838	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Na+K"	61.952376
"257985"	954.458368	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+ACN+Na"	64.015768
"1233974"	509.237068	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+ACN+Na"	64.015768
"1722864"	509.260593	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+NH4+HCOOH"	64.039293
"1190407"	171.396318	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+3Na"	68.967654
"1662123"	514.215988	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Na+HCOOH"	68.994688
"168987"	967.36164	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+2K-H"	76.91904
"612315"	1412.58294	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+2K-H"	76.91904
"1096341"	522.14034	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2K-H"	76.91904
"144409"	484.184458	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"2M+2K"	77.926316
"590896"	706.795108	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"3M+2K"	77.926316
"1078689"	261.573808	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2K"	77.926316
"1100720"	524.154892	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2K+H"	78.933592
"1338442"	524.242507	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+DMSO+H"	79.021207
"1008065"	528.281676	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2ACN+H"	83.060376
"1530565"	529.275308	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+IsoProp+Na+H"	84.054008
"995920"	264.644476	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+2ACN+2H"	84.067652
"1592610"	530.189928	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+K+HCOOH"	84.968628
"1419363"	560.221438	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+H+CF3COOH"	115.000138
"1161679"	285.157751	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+3ACN+2H"	125.094202
"1706856"	577.247985	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+NH4+CF3COOH"	132.026685
"1635217"	582.20338	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+Na+CF3COOH"	136.98208
"1573785"	598.17732	"C16786"	"AM-toxin I"	"C23H31N3O6"	"445.2213"	"M+K+CF3COOH"	152.95602
"809624"	413.1838	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M"	0
"975500"	394.16541	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-H2O-H"	-19.01839
"67023"	274.448590666667	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M-3H"	-3.021828
"504397"	412.176524	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M-3H"	-3.021828
"880983"	136.720657333333	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-3H"	-3.021828
"776"	412.176524	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M-2H"	-2.014552
"443614"	618.768424	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M-2H"	-2.014552
"823605"	205.584624	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-2H"	-2.014552
"82503"	825.360324	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M-H"	-1.007276
"519020"	1238.544124	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M-H"	-1.007276
"896827"	412.176524	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-H"	-1.007276
"47671"	842.386871	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M-2H+NH4"	16.019271
"492711"	1255.570671	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M-2H+NH4"	16.019271
"871609"	429.203071	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-2H+NH4"	16.019271
"33190"	847.342266	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M-2H+Na"	20.974666
"480165"	1260.526066	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M-2H+Na"	20.974666
"856875"	434.158466	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-2H+Na"	20.974666
"1629690"	434.158466	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Na-2H"	20.974666
"109016"	430.164863	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M-H+Cl"	33.962126
"547969"	636.756763	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M-H+Cl"	33.962126
"941982"	223.572963	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-H+Cl"	33.962126
"281742"	861.337002	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+Cl"	34.969402
"674285"	1274.520802	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+Cl"	34.969402
"1287052"	448.153202	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Cl"	34.969402
"28518"	863.316206	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M-2H+K"	36.948606
"470991"	1276.500006	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M-2H+K"	36.948606
"845515"	450.132406	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-2H+K"	36.948606
"1567909"	450.132406	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+K-2H"	36.948606
"956886"	458.181994	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-H+HCOOH"	44.998194
"372548"	871.365801	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+HCOOH-H"	44.998201
"357159"	885.381451	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+Hac-H"	59.013851
"1503447"	472.197651	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Hac-H"	59.013851
"966977"	480.163951	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-H+NaCOOH"	66.980151
"118074"	448.153202	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+2Cl"	69.938804
"558729"	654.745102	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+2Cl"	69.938804
"1029714"	241.561302	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2Cl"	69.938804
"1252573"	492.102685	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Br"	78.918885
"1319031"	494.158672	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Cl+HCOOH"	80.974872
"1332518"	516.140629	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Cl+NaCOOH"	102.956829
"926491"	526.169386	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M-H+CF3COOH"	112.985586
"1303889"	562.146064	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Cl+CF3COOH"	148.962264
"1382252"	378.171124	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H-2H2O"	-35.012676
"1396911"	396.1811	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H-H2O"	-17.0027
"293798"	827.374876	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+H"	1.007276
"682572"	1240.558676	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+H"	1.007276
"1353454"	414.191076	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H"	1.007276
"133635"	414.191076	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+2H"	2.014552
"568092"	620.782976	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+2H"	2.014552
"1048925"	207.599176	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2H"	2.014552
"217190"	276.463142666667	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+3H"	3.021828
"657490"	414.191076	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+3H"	3.021828
"1177073"	138.735209333333	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+3H"	3.021828
"437794"	844.401423	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+NH4"	18.033823
"798787"	1257.585223	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+NH4"	18.033823
"1695849"	431.217623	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+NH4"	18.033823
"344129"	422.7043495	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+H+NH4"	19.041099
"733632"	629.2962495	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+H+NH4"	19.041099
"1488548"	216.1124495	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H+NH4"	19.041099
"406865"	849.356818	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+Na"	22.989218
"764945"	1262.540618	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+Na"	22.989218
"1615230"	436.173018	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Na"	22.989218
"316520"	425.182047	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+H+Na"	23.996494
"709302"	631.773947	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+H+Na"	23.996494
"1463484"	218.590147	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H+Na"	23.996494
"1057100"	146.062523333333	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2H+Na"	25.00377
"1257926"	446.217286	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+CH3OH+H"	33.033486
"379541"	865.330758	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+K"	38.963158
"740537"	1278.514558	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+K"	38.963158
"1542586"	452.146958	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+K"	38.963158
"303043"	433.169017	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+H+K"	39.970434
"700945"	639.760917	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+H+K"	39.970434
"1451485"	226.577117	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H+K"	39.970434
"250300"	868.401426	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+ACN+H"	42.033826
"1224225"	455.217626	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+ACN+H"	42.033826
"1201058"	228.112451	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+ACN+2H"	43.041102
"199033"	871.33876	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+2Na-H"	44.97116
"635676"	1284.52256	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+2Na-H"	44.97116
"1136995"	458.15496	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2Na-H"	44.97116
"179192"	436.173018	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+2Na"	45.978436
"618753"	642.764918	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+2Na"	45.978436
"1123352"	229.581118	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2Na"	45.978436
"1405782"	153.389837333333	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H+2Na"	46.985712
"1441543"	460.196546	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H+HCOOH"	47.012746
"223580"	441.20604	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+3H2O+2H"	56.04448
"1513468"	474.24859	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+IsoProp+H"	61.06479
"410967"	444.159988	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+Na+K"	61.952376
"775244"	650.751888	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+Na+K"	61.952376
"1674855"	237.568088	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Na+K"	61.952376
"261375"	890.383368	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+ACN+Na"	64.015768
"1236271"	477.199568	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+ACN+Na"	64.015768
"1724067"	477.223093	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+NH4+HCOOH"	64.039293
"1189424"	160.717151333333	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+3Na"	68.967654
"1660412"	482.178488	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Na+HCOOH"	68.994688
"169096"	903.28664	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+2K-H"	76.91904
"607929"	1316.47044	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+2K-H"	76.91904
"1093536"	490.10284	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2K-H"	76.91904
"152176"	452.146958	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"2M+2K"	77.926316
"591373"	658.738858	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"3M+2K"	77.926316
"1073333"	245.555058	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2K"	77.926316
"1101803"	492.117392	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2K+H"	78.933592
"1341833"	492.205007	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+DMSO+H"	79.021207
"1012549"	496.244176	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2ACN+H"	83.060376
"1527395"	497.237808	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+IsoProp+Na+H"	84.054008
"997124"	248.625726	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+2ACN+2H"	84.067652
"1591627"	498.152428	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+K+HCOOH"	84.968628
"1420566"	528.183938	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+H+CF3COOH"	115.000138
"1160695"	269.139001	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+3ACN+2H"	125.094202
"1706966"	545.210485	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+NH4+CF3COOH"	132.026685
"1641525"	550.16588	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+Na+CF3COOH"	136.98208
"1576082"	566.13982	"C16787"	"AK-toxin I"	"C23H27NO6"	"413.1838"	"M+K+CF3COOH"	152.95602
"815200"	248.1049	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M"	0
"975610"	229.08651	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-H2O-H"	-19.01839
"67133"	164.395990666667	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M-3H"	-3.021828
"505600"	247.097624	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M-3H"	-3.021828
"882309"	81.6943573333333	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-3H"	-3.021828
"3072"	247.097624	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M-2H"	-2.014552
"442631"	371.150074	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M-2H"	-2.014552
"818733"	123.045174	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-2H"	-2.014552
"82613"	495.202524	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M-H"	-1.007276
"519255"	743.307424	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M-H"	-1.007276
"896206"	247.097624	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-H"	-1.007276
"47299"	512.229071	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M-2H+NH4"	16.019271
"490634"	760.333971	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M-2H+NH4"	16.019271
"874636"	264.124171	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-2H+NH4"	16.019271
"34152"	517.184466	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M-2H+Na"	20.974666
"483193"	765.289366	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M-2H+Na"	20.974666
"860265"	269.079566	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-2H+Na"	20.974666
"1630893"	269.079566	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Na-2H"	20.974666
"108518"	265.085963	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M-H+Cl"	33.962126
"548810"	389.138413	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M-H+Cl"	33.962126
"942082"	141.033513	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-H+Cl"	33.962126
"282765"	531.179202	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+Cl"	34.969402
"675633"	779.284102	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+Cl"	34.969402
"1287162"	283.074302	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Cl"	34.969402
"31254"	533.158406	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M-2H+K"	36.948606
"470699"	781.263306	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M-2H+K"	36.948606
"846718"	285.053506	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-2H+K"	36.948606
"1570569"	285.053506	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+K-2H"	36.948606
"958173"	293.103094	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-H+HCOOH"	44.998194
"375208"	541.208001	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+HCOOH-H"	44.998201
"359092"	555.223651	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+Hac-H"	59.013851
"1502827"	307.118751	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Hac-H"	59.013851
"970732"	315.085051	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-H+NaCOOH"	66.980151
"117091"	283.074302	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+2Cl"	69.938804
"559932"	407.126752	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+2Cl"	69.938804
"1032010"	159.021852	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2Cl"	69.938804
"1254507"	327.023785	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Br"	78.918885
"1318048"	329.079772	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Cl+HCOOH"	80.974872
"1335304"	351.061729	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Cl+NaCOOH"	102.956829
"926967"	361.090486	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M-H+CF3COOH"	112.985586
"1304072"	397.067164	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Cl+CF3COOH"	148.962264
"1382741"	213.092224	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H-2H2O"	-35.012676
"1397992"	231.1022	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H-H2O"	-17.0027
"291357"	497.217076	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+H"	1.007276
"681589"	745.321976	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+H"	1.007276
"1353564"	249.112176	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H"	1.007276
"131923"	249.112176	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+2H"	2.014552
"568202"	373.164626	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+2H"	2.014552
"1050492"	125.059726	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2H"	2.014552
"212560"	166.410542666667	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+3H"	3.021828
"659424"	249.112176	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+3H"	3.021828
"1177547"	83.7089093333333	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+3H"	3.021828
"435717"	514.243623	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+NH4"	18.033823
"798897"	762.348523	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+NH4"	18.033823
"1691953"	266.138723	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+NH4"	18.033823
"341320"	257.6254495	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+H+NH4"	19.041099
"732650"	381.6778995	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+H+NH4"	19.041099
"1485379"	133.5729995	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H+NH4"	19.041099
"400778"	519.199018	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+Na"	22.989218
"763962"	767.303918	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+Na"	22.989218
"1615340"	271.094118	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Na"	22.989218
"318816"	260.103147	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+H+Na"	23.996494
"708319"	384.155597	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+H+Na"	23.996494
"1462866"	136.050697	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H+Na"	23.996494
"1057210"	91.0362233333333	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2H+Na"	25.00377
"1264356"	281.138386	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+CH3OH+H"	33.033486
"382932"	535.172958	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+K"	38.963158
"741740"	783.277858	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+K"	38.963158
"1541603"	287.068058	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+K"	38.963158
"300236"	268.090117	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+H+K"	39.970434
"701055"	392.142567	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+H+K"	39.970434
"1451595"	144.037667	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H+K"	39.970434
"250046"	538.243626	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+ACN+H"	42.033826
"1225391"	290.138726	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+ACN+H"	42.033826
"1196429"	145.573001	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+ACN+2H"	43.041102
"199143"	541.18096	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+2Na-H"	44.97116
"635786"	789.28586	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+2Na-H"	44.97116
"1134918"	293.07606	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2Na-H"	44.97116
"176022"	271.094118	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+2Na"	45.978436
"618863"	395.146568	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+2Na"	45.978436
"1122368"	147.041668	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2Na"	45.978436
"1405892"	98.3635373333333	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H+2Na"	46.985712
"1441288"	295.117646	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H+HCOOH"	47.012746
"223326"	276.12714	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+3H2O+2H"	56.04448
"1512485"	309.16969	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+IsoProp+H"	61.06479
"411077"	279.081088	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+Na+K"	61.952376
"775354"	403.133538	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+Na+K"	61.952376
"1673872"	155.028638	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Na+K"	61.952376
"261485"	560.225568	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+ACN+Na"	64.015768
"1234194"	312.120668	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+ACN+Na"	64.015768
"1723084"	312.144193	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+NH4+HCOOH"	64.039293
"1190625"	105.690851333333	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+3Na"	68.967654
"1662708"	317.099588	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Na+HCOOH"	68.994688
"168842"	573.12884	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+2K-H"	76.91904
"608039"	821.23374	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+2K-H"	76.91904
"1093646"	325.02394	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2K-H"	76.91904
"154473"	287.068058	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"2M+2K"	77.926316
"595128"	411.120508	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"3M+2K"	77.926316
"1075630"	163.015608	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2K"	77.926316
"1104465"	327.038492	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2K+H"	78.933592
"1344130"	327.126107	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+DMSO+H"	79.021207
"1014846"	331.165276	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2ACN+H"	83.060376
"1528598"	332.158908	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+IsoProp+Na+H"	84.054008
"993954"	166.086276	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+2ACN+2H"	84.067652
"1589549"	333.073528	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+K+HCOOH"	84.968628
"1422863"	363.105038	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+H+CF3COOH"	115.000138
"1160806"	186.599551	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+3ACN+2H"	125.094202
"1707076"	380.131585	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+NH4+CF3COOH"	132.026685
"1641635"	385.08698	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+Na+CF3COOH"	136.98208
"1575098"	401.06092	"C16788"	"Pyriculol"	"C14H16O4"	"248.1049"	"M+K+CF3COOH"	152.95602
"816161"	193.06	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M"	0
"978999"	174.04161	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-H2O-H"	-19.01839
"72710"	127.699390666667	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M-3H"	-3.021828
"504982"	192.052724	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M-3H"	-3.021828
"883512"	63.3460573333333	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-3H"	-3.021828
"2089"	192.052724	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M-2H"	-2.014552
"446021"	288.582724	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M-2H"	-2.014552
"819086"	95.522724	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-2H"	-2.014552
"82723"	385.112724	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M-H"	-1.007276
"518591"	578.172724	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M-H"	-1.007276
"895951"	192.052724	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-H"	-1.007276
"47147"	402.139271	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M-2H+NH4"	16.019271
"491108"	595.199271	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M-2H+NH4"	16.019271
"874746"	209.079271	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-2H+NH4"	16.019271
"36449"	407.094666	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M-2H+Na"	20.974666
"485490"	600.154666	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M-2H+Na"	20.974666
"859282"	214.034666	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-2H+Na"	20.974666
"1630638"	214.034666	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Na-2H"	20.974666
"106075"	210.041063	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M-H+Cl"	33.962126
"546729"	306.571063	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M-H+Cl"	33.962126
"942602"	113.511063	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-H+Cl"	33.962126
"280260"	421.089402	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+Cl"	34.969402
"674749"	614.149402	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+Cl"	34.969402
"1288169"	228.029402	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Cl"	34.969402
"30681"	423.068606	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M-2H+K"	36.948606
"467201"	616.128606	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M-2H+K"	36.948606
"846098"	230.008606	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-2H+K"	36.948606
"1567397"	230.008606	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+K-2H"	36.948606
"954915"	238.058194	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-H+HCOOH"	44.998194
"371309"	431.118201	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+HCOOH-H"	44.998201
"355192"	445.133851	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+Hac-H"	59.013851
"1502937"	252.073851	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Hac-H"	59.013851
"970478"	260.040151	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-H+NaCOOH"	66.980151
"118294"	228.029402	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+2Cl"	69.938804
"561135"	324.559402	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+2Cl"	69.938804
"1031027"	131.499402	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2Cl"	69.938804
"1254252"	271.978885	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Br"	78.918885
"1316333"	274.034872	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Cl+HCOOH"	80.974872
"1332739"	296.016829	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Cl+NaCOOH"	102.956829
"926754"	306.045586	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M-H+CF3COOH"	112.985586
"1302323"	342.022264	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Cl+CF3COOH"	148.962264
"1380119"	158.047324	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H-2H2O"	-35.012676
"1397373"	176.0573	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H-H2O"	-17.0027
"290373"	387.127276	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+H"	1.007276
"681699"	580.187276	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+H"	1.007276
"1354403"	194.067276	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H"	1.007276
"129847"	194.067276	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+2H"	2.014552
"569405"	290.597276	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+2H"	2.014552
"1051331"	97.537276	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2H"	2.014552
"213763"	129.713942666667	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+3H"	3.021828
"658442"	194.067276	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+3H"	3.021828
"1174742"	65.3606093333333	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+3H"	3.021828
"435827"	404.153823	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+NH4"	18.033823
"799007"	597.213823	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+NH4"	18.033823
"1690970"	211.093823	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+NH4"	18.033823
"342523"	202.5805495	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+H+NH4"	19.041099
"728021"	299.1105495	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+H+NH4"	19.041099
"1485486"	106.0505495	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H+NH4"	19.041099
"397605"	409.109218	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+Na"	22.989218
"760789"	602.169218	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+Na"	22.989218
"1613262"	216.049218	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Na"	22.989218
"317834"	205.058247	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+H+Na"	23.996494
"709157"	301.588247	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+H+Na"	23.996494
"1463341"	108.528247	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H+Na"	23.996494
"1055496"	72.6879233333333	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2H+Na"	25.00377
"1261186"	226.093486	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+CH3OH+H"	33.033486
"381949"	425.083158	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+K"	38.963158
"741850"	618.143158	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+K"	38.963158
"1542077"	232.023158	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+K"	38.963158
"299251"	213.045217	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+H+K"	39.970434
"704083"	309.575217	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+H+K"	39.970434
"1451705"	116.515217	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H+K"	39.970434
"250156"	428.153826	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+ACN+H"	42.033826
"1225588"	235.093826	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+ACN+H"	42.033826
"1206747"	118.050551	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+ACN+2H"	43.041102
"193784"	431.09116	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+2Na-H"	44.97116
"638084"	624.15116	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+2Na-H"	44.97116
"1144871"	238.03116	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2Na-H"	44.97116
"185246"	216.049218	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+2Na"	45.978436
"621889"	312.579218	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+2Na"	45.978436
"1121385"	119.519218	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2Na"	45.978436
"1408189"	80.0152373333333	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H+2Na"	46.985712
"1443220"	240.072746	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H+HCOOH"	47.012746
"223800"	221.08224	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+3H2O+2H"	56.04448
"1513688"	254.12479	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+IsoProp+H"	61.06479
"411915"	224.036188	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+Na+K"	61.952376
"775464"	320.566188	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+Na+K"	61.952376
"1673982"	127.506188	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Na+K"	61.952376
"261595"	450.135768	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+ACN+Na"	64.015768
"1234304"	257.075768	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+ACN+Na"	64.015768
"1724287"	257.099293	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+NH4+HCOOH"	64.039293
"1189643"	87.3425513333333	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+3Na"	68.967654
"1663911"	262.054688	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Na+HCOOH"	68.994688
"169679"	463.03904	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+2K-H"	76.91904
"609606"	656.09904	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+2K-H"	76.91904
"1095942"	269.97904	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2K-H"	76.91904
"154220"	232.023158	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"2M+2K"	77.926316
"595238"	328.553158	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"3M+2K"	77.926316
"1080115"	135.493158	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2K"	77.926316
"1107855"	271.993592	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2K+H"	78.933592
"1347156"	272.081207	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+DMSO+H"	79.021207
"1013863"	276.120376	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2ACN+H"	83.060376
"1529801"	277.114008	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+IsoProp+Na+H"	84.054008
"997344"	138.563826	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+2ACN+2H"	84.067652
"1591846"	278.028628	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+K+HCOOH"	84.968628
"1421880"	308.060138	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+H+CF3COOH"	115.000138
"1162009"	159.077101	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+3ACN+2H"	125.094202
"1707186"	325.086685	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+NH4+CF3COOH"	132.026685
"1641745"	330.04208	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+Na+CF3COOH"	136.98208
"1576302"	346.01602	"C16789"	"Toxoflavine"	"C7H7N5O2"	"193.06"	"M+K+CF3COOH"	152.95602
"816150"	319.1784	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M"	0
"974736"	300.16001	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-H2O-H"	-19.01839
"71727"	211.778324	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M-3H"	-3.021828
"505820"	318.171124	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M-3H"	-3.021828
"884716"	105.385524	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-3H"	-3.021828
"1106"	318.171124	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M-2H"	-2.014552
"446131"	477.760324	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M-2H"	-2.014552
"823935"	158.581924	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-2H"	-2.014552
"82833"	637.349524	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M-H"	-1.007276
"518615"	956.527924	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M-H"	-1.007276
"895661"	318.171124	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-H"	-1.007276
"47261"	654.376071	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M-2H+NH4"	16.019271
"487810"	973.554471	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M-2H+NH4"	16.019271
"865375"	335.197671	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-2H+NH4"	16.019271
"32425"	659.331466	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M-2H+Na"	20.974666
"477212"	978.509866	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M-2H+Na"	20.974666
"859392"	340.153066	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-2H+Na"	20.974666
"1628924"	340.153066	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Na-2H"	20.974666
"105456"	336.159463	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M-H+Cl"	33.962126
"546839"	495.748663	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M-H+Cl"	33.962126
"938896"	176.570263	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-H+Cl"	33.962126
"279276"	673.326202	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+Cl"	34.969402
"673886"	992.504602	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+Cl"	34.969402
"1285923"	354.147802	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Cl"	34.969402
"27750"	675.305406	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M-2H+K"	36.948606
"466947"	994.483806	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M-2H+K"	36.948606
"839646"	356.127006	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-2H+K"	36.948606
"1566415"	356.127006	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+K-2H"	36.948606
"953932"	364.176594	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-H+HCOOH"	44.998194
"370326"	683.355001	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+HCOOH-H"	44.998201
"355302"	697.370651	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+Hac-H"	59.013851
"1503047"	378.192251	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Hac-H"	59.013851
"970223"	386.158551	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-H+NaCOOH"	66.980151
"118405"	354.147802	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+2Cl"	69.938804
"560152"	513.737002	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+2Cl"	69.938804
"1031501"	194.558602	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2Cl"	69.938804
"1252175"	398.097285	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Br"	78.918885
"1316443"	400.153272	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Cl+HCOOH"	80.974872
"1334307"	422.135229	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Cl+NaCOOH"	102.956829
"926744"	432.163986	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M-H+CF3COOH"	112.985586
"1303775"	468.140664	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Cl+CF3COOH"	148.962264
"1380229"	284.165724	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H-2H2O"	-35.012676
"1397970"	302.1757	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H-H2O"	-17.0027
"293035"	639.364076	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+H"	1.007276
"683996"	958.542476	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+H"	1.007276
"1353420"	320.185676	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H"	1.007276
"131049"	320.185676	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+2H"	2.014552
"569515"	479.774876	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+2H"	2.014552
"1049253"	160.596476	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2H"	2.014552
"214602"	213.792876	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+3H"	3.021828
"656730"	320.185676	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+3H"	3.021828
"1174852"	107.400076	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+3H"	3.021828
"435937"	656.390623	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+NH4"	18.033823
"798024"	975.569023	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+NH4"	18.033823
"1689987"	337.212223	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+NH4"	18.033823
"341540"	328.6989495	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+H+NH4"	19.041099
"731778"	488.2881495	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+H+NH4"	19.041099
"1485596"	169.1097495	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H+NH4"	19.041099
"400996"	661.346018	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+Na"	22.989218
"757617"	980.524418	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+Na"	22.989218
"1610089"	342.167618	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Na"	22.989218
"317944"	331.176647	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+H+Na"	23.996494
"708903"	490.765847	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+H+Na"	23.996494
"1462722"	171.587447	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H+Na"	23.996494
"1055241"	114.72739	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2H+Na"	25.00377
"1258256"	352.211886	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+CH3OH+H"	33.033486
"378778"	677.319958	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+K"	38.963158
"739772"	996.498358	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+K"	38.963158
"1541824"	358.141558	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+K"	38.963158
"302279"	339.163617	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+H+K"	39.970434
"703828"	498.752817	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+H+K"	39.970434
"1450722"	179.574417	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H+K"	39.970434
"251355"	680.390626	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+ACN+H"	42.033826
"1225475"	361.212226	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+ACN+H"	42.033826
"1203941"	181.109751	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+ACN+2H"	43.041102
"195353"	683.32796	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+2Na-H"	44.97116
"640382"	1002.50636	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+2Na-H"	44.97116
"1142794"	364.14956	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2Na-H"	44.97116
"186450"	342.167618	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+2Na"	45.978436
"622363"	501.756818	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+2Na"	45.978436
"1122589"	182.578418	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2Na"	45.978436
"1407206"	122.054704	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H+2Na"	46.985712
"1444668"	366.191146	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H+HCOOH"	47.012746
"222453"	347.20064	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+3H2O+2H"	56.04448
"1510882"	380.24319	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+IsoProp+H"	61.06479
"409837"	350.154588	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+Na+K"	61.952376
"775574"	509.743788	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+Na+K"	61.952376
"1674092"	190.565388	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Na+K"	61.952376
"260612"	702.372568	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+ACN+Na"	64.015768
"1233321"	383.194168	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+ACN+Na"	64.015768
"1721115"	383.217693	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+NH4+HCOOH"	64.039293
"1185376"	129.382018	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+3Na"	68.967654
"1659645"	388.173088	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Na+HCOOH"	68.994688
"165411"	715.27584	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+2K-H"	76.91904
"601692"	1034.45424	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+2K-H"	76.91904
"1089487"	396.09744	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2K-H"	76.91904
"153600"	358.141558	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"2M+2K"	77.926316
"592432"	517.730758	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"3M+2K"	77.926316
"1080225"	198.552358	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2K"	77.926316
"1107965"	398.111992	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2K+H"	78.933592
"1345809"	398.199607	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+DMSO+H"	79.021207
"1015066"	402.238776	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2ACN+H"	83.060376
"1529911"	403.232408	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+IsoProp+Na+H"	84.054008
"997454"	201.623026	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+2ACN+2H"	84.067652
"1593049"	404.147028	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+K+HCOOH"	84.968628
"1421989"	434.178538	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+H+CF3COOH"	115.000138
"1161026"	222.136301	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+3ACN+2H"	125.094202
"1707296"	451.205085	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+NH4+CF3COOH"	132.026685
"1641855"	456.16048	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+Na+CF3COOH"	136.98208
"1576412"	472.13442	"C16790"	"Coronatine"	"C18H25NO4"	"319.1784"	"M+K+CF3COOH"	152.95602
"816753"	1110.5763	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M"	0
"983595"	1091.55791	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-H2O-H"	-19.01839
"75118"	739.376924	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M-3H"	-3.021828
"513585"	1109.569024	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M-3H"	-3.021828
"890294"	369.184824	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-3H"	-3.021828
"5590"	1109.569024	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M-2H"	-2.014552
"442961"	1664.857174	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M-2H"	-2.014552
"820765"	554.280874	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-2H"	-2.014552
"86223"	2220.145324	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M-H"	-1.007276
"523598"	3330.721624	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M-H"	-1.007276
"896045"	1109.569024	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-H"	-1.007276
"47865"	2237.171871	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M-2H+NH4"	16.019271
"488776"	3347.748171	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M-2H+NH4"	16.019271
"868765"	1126.595571	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-2H+NH4"	16.019271
"37760"	2242.127266	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M-2H+Na"	20.974666
"482789"	3352.703566	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M-2H+Na"	20.974666
"862059"	1131.550966	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-2H+Na"	20.974666
"1633414"	1131.550966	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Na-2H"	20.974666
"108119"	1127.557363	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M-H+Cl"	33.962126
"548652"	1682.845513	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M-H+Cl"	33.962126
"941930"	572.269213	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-H+Cl"	33.962126
"282308"	2256.122002	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+Cl"	34.969402
"674606"	3366.698302	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+Cl"	34.969402
"1288225"	1145.545702	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Cl"	34.969402
"29562"	2258.101206	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M-2H+K"	36.948606
"470217"	3368.677506	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M-2H+K"	36.948606
"841943"	1147.524906	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-2H+K"	36.948606
"1568347"	1147.524906	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+K-2H"	36.948606
"957084"	1155.574494	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-H+HCOOH"	44.998194
"374448"	2266.150801	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+HCOOH-H"	44.998201
"357601"	2280.166451	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+Hac-H"	59.013851
"1506677"	1169.590151	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Hac-H"	59.013851
"966323"	1177.556451	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-H+NaCOOH"	66.980151
"124953"	1145.545702	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+2Cl"	69.938804
"564634"	1700.833852	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+2Cl"	69.938804
"1036839"	590.257552	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2Cl"	69.938804
"1256985"	1189.495185	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Br"	78.918885
"1319432"	1191.551172	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Cl+HCOOH"	80.974872
"1335531"	1213.533129	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Cl+NaCOOH"	102.956829
"927020"	1223.561886	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M-H+CF3COOH"	112.985586
"1302787"	1259.538564	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Cl+CF3COOH"	148.962264
"1381067"	1075.563624	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H-2H2O"	-35.012676
"1396741"	1093.5736	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H-H2O"	-17.0027
"290958"	2222.159876	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+H"	1.007276
"681919"	3332.736176	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+H"	1.007276
"1352111"	1111.583576	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H"	1.007276
"128602"	1111.583576	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+2H"	2.014552
"567800"	1666.871726	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+2H"	2.014552
"1050092"	556.295426	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2H"	2.014552
"214348"	741.391476	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+3H"	3.021828
"657568"	1111.583576	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+3H"	3.021828
"1173868"	371.199376	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+3H"	3.021828
"437140"	2239.186423	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+NH4"	18.033823
"800321"	3349.762723	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+NH4"	18.033823
"1692283"	1128.610123	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+NH4"	18.033823
"341650"	1120.0968495	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+H+NH4"	19.041099
"732981"	1675.3849995	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+H+NH4"	19.041099
"1487893"	564.8086995	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H+NH4"	19.041099
"406573"	2244.141818	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+Na"	22.989218
"764287"	3354.718118	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+Na"	22.989218
"1610199"	1133.565518	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Na"	22.989218
"320238"	1122.574547	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+H+Na"	23.996494
"711567"	1677.862697	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+H+Na"	23.996494
"1464290"	567.286397	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H+Na"	23.996494
"1058635"	378.52669	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2H+Na"	25.00377
"1264688"	1143.609786	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+CH3OH+H"	33.033486
"382169"	2260.115758	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+K"	38.963158
"740977"	3370.692058	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+K"	38.963158
"1543026"	1149.539458	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+K"	38.963158
"303482"	1130.561517	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+H+K"	39.970434
"703209"	1685.849667	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+H+K"	39.970434
"1455203"	575.273367	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H+K"	39.970434
"251073"	2263.186426	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+ACN+H"	42.033826
"1225156"	1152.610126	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+ACN+H"	42.033826
"1204778"	576.808701	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+ACN+2H"	43.041102
"194370"	2266.12376	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+2Na-H"	44.97116
"641222"	3376.70006	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+2Na-H"	44.97116
"1146428"	1155.54746	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2Na-H"	44.97116
"187653"	1133.565518	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+2Na"	45.978436
"626484"	1688.853668	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+2Na"	45.978436
"1127073"	578.277368	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2Na"	45.978436
"1412783"	385.854004	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H+2Na"	46.985712
"1444538"	1157.589046	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H+HCOOH"	47.012746
"230220"	1138.59854	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+3H2O+2H"	56.04448
"1519378"	1171.64109	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+IsoProp+H"	61.06479
"420887"	1141.552488	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+Na+K"	61.952376
"782245"	1696.840638	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+Na+K"	61.952376
"1675295"	586.264338	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Na+K"	61.952376
"260722"	2285.168368	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+ACN+Na"	64.015768
"1233431"	1174.592068	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+ACN+Na"	64.015768
"1721225"	1174.615593	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+NH4+HCOOH"	64.039293
"1185486"	393.181318	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+3Na"	68.967654
"1660484"	1179.570988	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Na+HCOOH"	68.994688
"166614"	2298.07164	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+2K-H"	76.91904
"603988"	3408.64794	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+2K-H"	76.91904
"1092877"	1187.49534	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2K-H"	76.91904
"153349"	1149.539458	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"2M+2K"	77.926316
"595095"	1704.827608	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"3M+2K"	77.926316
"1081794"	594.251308	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2K"	77.926316
"1112816"	1189.509892	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2K+H"	78.933592
"1347742"	1189.597507	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+DMSO+H"	79.021207
"1018459"	1193.636676	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2ACN+H"	83.060376
"1533303"	1194.630308	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+IsoProp+Na+H"	84.054008
"997564"	597.321976	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+2ACN+2H"	84.067652
"1595347"	1195.544928	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+K+HCOOH"	84.968628
"1426473"	1225.576438	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+H+CF3COOH"	115.000138
"1162474"	617.835251	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+3ACN+2H"	125.094202
"1707406"	1242.602985	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+NH4+CF3COOH"	132.026685
"1645245"	1247.55838	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+Na+CF3COOH"	136.98208
"1576522"	1263.53232	"C16791"	"Halichondrin B"	"C60H86O19"	"1110.5763"	"M+K+CF3COOH"	152.95602
"802269"	278.1882	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M"	0
"977145"	259.16981	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-H2O-H"	-19.01839
"74133"	184.451524	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M-3H"	-3.021828
"514788"	277.180924	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M-3H"	-3.021828
"889309"	91.722124	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-3H"	-3.021828
"11166"	277.180924	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M-2H"	-2.014552
"443071"	416.275024	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M-2H"	-2.014552
"820875"	138.086824	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-2H"	-2.014552
"86333"	555.369124	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M-H"	-1.007276
"520549"	833.557324	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M-H"	-1.007276
"896112"	277.180924	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-H"	-1.007276
"47617"	572.395671	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M-2H+NH4"	16.019271
"488273"	850.583871	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M-2H+NH4"	16.019271
"866688"	294.207471	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-2H+NH4"	16.019271
"35683"	577.351066	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M-2H+Na"	20.974666
"480712"	855.539266	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M-2H+Na"	20.974666
"861805"	299.162866	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-2H+Na"	20.974666
"1632188"	299.162866	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Na-2H"	20.974666
"108108"	295.169263	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M-H+Cl"	33.962126
"548155"	434.263363	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M-H+Cl"	33.962126
"941433"	156.075163	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-H+Cl"	33.962126
"281206"	591.345802	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+Cl"	34.969402
"674353"	869.534002	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+Cl"	34.969402
"1287853"	313.157602	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Cl"	34.969402
"30526"	593.325006	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M-2H+K"	36.948606
"469717"	871.513206	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M-2H+K"	36.948606
"845333"	315.136806	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-2H+K"	36.948606
"1569187"	315.136806	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+K-2H"	36.948606
"957070"	323.186394	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-H+HCOOH"	44.998194
"375650"	601.374601	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+HCOOH-H"	44.998201
"357711"	615.390251	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+Hac-H"	59.013851
"1505815"	337.202051	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Hac-H"	59.013851
"966433"	345.168351	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-H+NaCOOH"	66.980151
"125063"	313.157602	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+2Cl"	69.938804
"564381"	452.251702	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+2Cl"	69.938804
"1036343"	174.063502	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2Cl"	69.938804
"1255677"	357.107085	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Br"	78.918885
"1319100"	359.163072	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Cl+HCOOH"	80.974872
"1335263"	381.145029	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Cl+NaCOOH"	102.956829
"926687"	391.173786	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M-H+CF3COOH"	112.985586
"1302653"	427.150464	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Cl+CF3COOH"	148.962264
"1380084"	243.175524	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H-2H2O"	-35.012676
"1397215"	261.1855	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H-H2O"	-17.0027
"289610"	557.383676	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+H"	1.007276
"683852"	835.571876	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+H"	1.007276
"1359108"	279.195476	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H"	1.007276
"129079"	279.195476	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+2H"	2.014552
"569365"	418.289576	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+2H"	2.014552
"1041818"	140.101376	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2H"	2.014552
"214093"	186.466076	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+3H"	3.021828
"653669"	279.195476	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+3H"	3.021828
"1171791"	93.736676	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+3H"	3.021828
"435063"	574.410223	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+NH4"	18.033823
"797150"	852.598423	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+NH4"	18.033823
"1692393"	296.222023	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+NH4"	18.033823
"341033"	287.7087495	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+H+NH4"	19.041099
"730904"	426.8028495	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+H+NH4"	19.041099
"1483993"	148.6146495	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H+NH4"	19.041099
"402311"	579.365618	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+Na"	22.989218
"764397"	857.553818	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+Na"	22.989218
"1615776"	301.177418	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Na"	22.989218
"324719"	290.186447	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+H+Na"	23.996494
"708755"	429.280547	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+H+Na"	23.996494
"1464035"	151.092347	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H+Na"	23.996494
"1057652"	101.06399	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2H+Na"	25.00377
"1264798"	311.221686	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+CH3OH+H"	33.033486
"380092"	595.339558	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+K"	38.963158
"740356"	873.527758	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+K"	38.963158
"1541315"	317.151358	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+K"	38.963158
"301408"	298.173417	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+H+K"	39.970434
"698209"	437.267517	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+H+K"	39.970434
"1455310"	159.079317	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H+K"	39.970434
"250860"	598.410226	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+ACN+H"	42.033826
"1225140"	320.222026	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+ACN+H"	42.033826
"1201608"	160.614651	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+ACN+2H"	43.041102
"194480"	601.34756	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+2Na-H"	44.97116
"642061"	879.53576	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+2Na-H"	44.97116
"1146659"	323.15936	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2Na-H"	44.97116
"187886"	301.177418	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+2Na"	45.978436
"625864"	440.271518	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+2Na"	45.978436
"1127183"	162.083318	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2Na"	45.978436
"1412893"	108.391304	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H+2Na"	46.985712
"1445573"	325.200946	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H+HCOOH"	47.012746
"229237"	306.21044	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+3H2O+2H"	56.04448
"1519488"	339.25299	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+IsoProp+H"	61.06479
"420997"	309.164388	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+Na+K"	61.952376
"781262"	448.258488	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+Na+K"	61.952376
"1674312"	170.070288	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Na+K"	61.952376
"260832"	620.392168	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+ACN+Na"	64.015768
"1233541"	342.203968	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+ACN+Na"	64.015768
"1721335"	342.227493	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+NH4+HCOOH"	64.039293
"1185596"	115.718618	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+3Na"	68.967654
"1658771"	347.182888	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Na+HCOOH"	68.994688
"167817"	633.29544	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+2K-H"	76.91904
"604098"	911.48364	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+2K-H"	76.91904
"1089706"	355.10724	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2K-H"	76.91904
"155160"	317.151358	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"2M+2K"	77.926316
"595328"	456.245458	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"3M+2K"	77.926316
"1082634"	178.057258	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2K"	77.926316
"1114021"	357.121792	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2K+H"	78.933592
"1347485"	357.209407	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+DMSO+H"	79.021207
"1017107"	361.248576	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2ACN+H"	83.060376
"1532317"	362.242208	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+IsoProp+Na+H"	84.054008
"999860"	181.127926	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+2ACN+2H"	84.067652
"1596550"	363.156828	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+K+HCOOH"	84.968628
"1428771"	393.188338	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+H+CF3COOH"	115.000138
"1161244"	201.641201	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+3ACN+2H"	125.094202
"1710796"	410.214885	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+NH4+CF3COOH"	132.026685
"1645355"	415.17028	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+Na+CF3COOH"	136.98208
"1576632"	431.14422	"C16792"	"Panaxytriol"	"C17H26O3"	"278.1882"	"M+K+CF3COOH"	152.95602
"806998"	496.4855	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M"	0
"983815"	477.46711	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-H2O-H"	-19.01839
"75337"	329.983057333333	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M-3H"	-3.021828
"513805"	495.478224	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M-3H"	-3.021828
"891606"	164.487890666667	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-3H"	-3.021828
"12370"	495.478224	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M-2H"	-2.014552
"446461"	743.720974	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M-2H"	-2.014552
"829733"	247.235474	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-2H"	-2.014552
"89723"	991.963724	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M-H"	-1.007276
"528192"	1488.449224	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M-H"	-1.007276
"900527"	495.478224	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-H"	-1.007276
"51621"	1008.990271	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M-2H+NH4"	16.019271
"499566"	1505.475771	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M-2H+NH4"	16.019271
"876639"	512.504771	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-2H+NH4"	16.019271
"37980"	1013.945666	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M-2H+Na"	20.974666
"483009"	1510.431166	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M-2H+Na"	20.974666
"855341"	517.460166	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-2H+Na"	20.974666
"1633593"	517.460166	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Na-2H"	20.974666
"108951"	513.466563	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M-H+Cl"	33.962126
"549360"	761.709313	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M-H+Cl"	33.962126
"942599"	265.223813	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-H+Cl"	33.962126
"282530"	1027.940402	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+Cl"	34.969402
"675317"	1524.425902	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+Cl"	34.969402
"1288209"	531.454902	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Cl"	34.969402
"30633"	1029.919606	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M-2H+K"	36.948606
"468370"	1526.405106	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M-2H+K"	36.948606
"846903"	533.434106	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-2H+K"	36.948606
"1570758"	533.434106	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+K-2H"	36.948606
"957911"	541.483694	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-H+HCOOH"	44.998194
"376965"	1037.969201	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+HCOOH-H"	44.998201
"360740"	1051.984851	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+Hac-H"	59.013851
"1507019"	555.499351	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Hac-H"	59.013851
"971646"	563.465651	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-H+NaCOOH"	66.980151
"124204"	531.454902	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+2Cl"	69.938804
"563398"	779.697652	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+2Cl"	69.938804
"1036210"	283.212152	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2Cl"	69.938804
"1254696"	575.404385	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Br"	78.918885
"1318600"	577.460372	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Cl+HCOOH"	80.974872
"1335291"	599.442329	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Cl+NaCOOH"	102.956829
"926426"	609.471086	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M-H+CF3COOH"	112.985586
"1302034"	645.447764	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Cl+CF3COOH"	148.962264
"1381777"	461.472824	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H-2H2O"	-35.012676
"1396597"	479.4828	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H-H2O"	-17.0027
"288627"	993.978276	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+H"	1.007276
"682870"	1490.463776	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+H"	1.007276
"1360677"	497.492776	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H"	1.007276
"129190"	497.492776	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+2H"	2.014552
"566320"	745.735526	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+2H"	2.014552
"1040835"	249.250026	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2H"	2.014552
"208734"	331.997609333333	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+3H"	3.021828
"658148"	497.492776	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+3H"	3.021828
"1171901"	166.502442666667	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+3H"	3.021828
"431892"	1011.004823	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+NH4"	18.033823
"796168"	1507.490323	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+NH4"	18.033823
"1690311"	514.519323	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+NH4"	18.033823
"339685"	506.0060495	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+H+NH4"	19.041099
"733198"	754.2487995	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+H+NH4"	19.041099
"1488843"	257.7632995	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H+NH4"	19.041099
"402421"	1015.960218	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+Na"	22.989218
"767788"	1512.445718	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+Na"	22.989218
"1615887"	519.474718	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Na"	22.989218
"325923"	508.483747	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+H+Na"	23.996494
"708867"	756.726497	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+H+Na"	23.996494
"1465605"	260.240997	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H+Na"	23.996494
"1058855"	173.829756666667	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2H+Na"	25.00377
"1264908"	529.518986	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+CH3OH+H"	33.033486
"379107"	1031.934158	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+K"	38.963158
"740099"	1528.419658	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+K"	38.963158
"1544342"	535.448658	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+K"	38.963158
"303705"	516.470717	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+H+K"	39.970434
"699410"	764.713467	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+H+K"	39.970434
"1449948"	268.227967	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H+K"	39.970434
"249136"	1035.004826	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+ACN+H"	42.033826
"1223665"	538.519326	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+ACN+H"	42.033826
"1208520"	269.763301	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+ACN+2H"	43.041102
"201150"	1037.94216	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+2Na-H"	44.97116
"633784"	1534.42766	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+2Na-H"	44.97116
"1144219"	541.45666	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2Na-H"	44.97116
"187143"	519.474718	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+2Na"	45.978436
"627918"	767.717468	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+2Na"	45.978436
"1130862"	271.231968	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2Na"	45.978436
"1412638"	181.157070666667	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H+2Na"	46.985712
"1443662"	543.498246	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H+HCOOH"	47.012746
"225336"	524.50774	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+3H2O+2H"	56.04448
"1509389"	557.55029	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+IsoProp+H"	61.06479
"411257"	527.461688	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+Na+K"	61.952376
"774445"	775.704438	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+Na+K"	61.952376
"1668953"	279.218938	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Na+K"	61.952376
"258025"	1056.986768	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+ACN+Na"	64.015768
"1234744"	560.501268	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+ACN+Na"	64.015768
"1721445"	560.524793	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+NH4+HCOOH"	64.039293
"1188987"	188.484384666667	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+3Na"	68.967654
"1661068"	565.480188	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Na+HCOOH"	68.994688
"167927"	1069.89004	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+2K-H"	76.91904
"603479"	1566.37554	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+2K-H"	76.91904
"1089816"	573.40454	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2K-H"	76.91904
"156246"	535.448658	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"2M+2K"	77.926316
"595442"	783.691408	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"3M+2K"	77.926316
"1082504"	287.205908	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2K"	77.926316
"1114254"	575.419092	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2K+H"	78.933592
"1349781"	575.506707	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+DMSO+H"	79.021207
"1019773"	579.545876	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2ACN+H"	83.060376
"1535707"	580.539508	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+IsoProp+Na+H"	84.054008
"999970"	290.276576	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+2ACN+2H"	84.067652
"1597754"	581.454128	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+K+HCOOH"	84.968628
"1428882"	611.485638	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+H+CF3COOH"	115.000138
"1162327"	310.789851	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+3ACN+2H"	125.094202
"1707626"	628.512185	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+NH4+CF3COOH"	132.026685
"1645465"	633.46758	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+Na+CF3COOH"	136.98208
"1580022"	649.44152	"C16793"	"Corynomycolic acid"	"C32H64O3"	"496.4855"	"M+K+CF3COOH"	152.95602
"802005"	298.2872	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M"	0
"977364"	279.26881	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-H2O-H"	-19.01839
"69979"	197.850857333333	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M-3H"	-3.021828
"507353"	297.279924	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M-3H"	-3.021828
"885155"	98.4217906666667	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-3H"	-3.021828
"571"	297.279924	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M-2H"	-2.014552
"446571"	446.423524	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M-2H"	-2.014552
"819998"	148.136324	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-2H"	-2.014552
"86552"	595.567124	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M-H"	-1.007276
"526114"	893.854324	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M-H"	-1.007276
"897356"	297.279924	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-H"	-1.007276
"56104"	612.593671	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M-2H+NH4"	16.019271
"495665"	910.880871	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M-2H+NH4"	16.019271
"876748"	314.306471	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-2H+NH4"	16.019271
"34809"	617.549066	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M-2H+Na"	20.974666
"480930"	915.836266	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M-2H+Na"	20.974666
"850348"	319.261866	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-2H+Na"	20.974666
"1623895"	319.261866	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Na-2H"	20.974666
"108697"	315.268263	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M-H+Cl"	33.962126
"549311"	464.411863	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M-H+Cl"	33.962126
"942461"	166.124663	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-H+Cl"	33.962126
"282153"	631.543802	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+Cl"	34.969402
"674939"	929.831002	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+Cl"	34.969402
"1288278"	333.256602	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Cl"	34.969402
"30622"	633.523006	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M-2H+K"	36.948606
"469209"	931.810206	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M-2H+K"	36.948606
"847987"	335.235806	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-2H+K"	36.948606
"1570869"	335.235806	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+K-2H"	36.948606
"957293"	343.285394	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-H+HCOOH"	44.998194
"375872"	641.572601	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+HCOOH-H"	44.998201
"359756"	655.588251	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+Hac-H"	59.013851
"1506035"	357.301051	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Hac-H"	59.013851
"971755"	365.267351	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-H+NaCOOH"	66.980151
"125450"	333.256602	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+2Cl"	69.938804
"563873"	482.400202	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+2Cl"	69.938804
"1037025"	184.113002	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2Cl"	69.938804
"1254078"	377.206085	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Br"	78.918885
"1319561"	379.262072	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Cl+HCOOH"	80.974872
"1335239"	401.244029	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Cl+NaCOOH"	102.956829
"926780"	411.272786	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M-H+CF3COOH"	112.985586
"1301051"	447.249464	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Cl+CF3COOH"	148.962264
"1381398"	263.274524	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H-2H2O"	-35.012676
"1394154"	281.2845	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H-H2O"	-17.0027
"291653"	597.581676	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+H"	1.007276
"684073"	895.868876	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+H"	1.007276
"1360787"	299.294476	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H"	1.007276
"129300"	299.294476	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+2H"	2.014552
"566670"	448.438076	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+2H"	2.014552
"1047143"	150.150876	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2H"	2.014552
"211033"	199.865409333333	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+3H"	3.021828
"657165"	299.294476	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+3H"	3.021828
"1174198"	100.436342666667	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+3H"	3.021828
"436377"	614.608223	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+NH4"	18.033823
"796278"	912.895423	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+NH4"	18.033823
"1690421"	316.321023	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+NH4"	18.033823
"341981"	307.8077495	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+H+NH4"	19.041099
"733308"	456.9513495	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+H+NH4"	19.041099
"1488224"	158.6641495	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H+NH4"	19.041099
"401437"	619.563618	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+Na"	22.989218
"764618"	917.850818	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+Na"	22.989218
"1612717"	321.276418	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Na"	22.989218
"327127"	310.285447	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+H+Na"	23.996494
"709710"	459.429047	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+H+Na"	23.996494
"1462798"	161.141847	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H+Na"	23.996494
"1057872"	107.763656666667	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2H+Na"	25.00377
"1265018"	331.320686	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+CH3OH+H"	33.033486
"378125"	635.537558	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+K"	38.963158
"739116"	933.824758	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+K"	38.963158
"1541171"	337.250358	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+K"	38.963158
"302720"	318.272417	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+H+K"	39.970434
"699520"	467.416017	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+H+K"	39.970434
"1450059"	169.128817	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H+K"	39.970434
"250340"	638.608226	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+ACN+H"	42.033826
"1224507"	340.321026	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+ACN+H"	42.033826
"1208266"	170.664151	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+ACN+2H"	43.041102
"197980"	641.54556	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+2Na-H"	44.97116
"633167"	939.83276	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+2Na-H"	44.97116
"1139953"	343.25836	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2Na-H"	44.97116
"185430"	321.276418	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+2Na"	45.978436
"625721"	470.420018	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+2Na"	45.978436
"1130444"	172.132818	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2Na"	45.978436
"1410927"	115.090970666667	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H+2Na"	46.985712
"1444380"	345.299946	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H+HCOOH"	47.012746
"222894"	326.30944	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+3H2O+2H"	56.04448
"1508889"	359.35199	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+IsoProp+H"	61.06479
"409911"	329.263388	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+Na+K"	61.952376
"770540"	478.406988	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+Na+K"	61.952376
"1666875"	180.119788	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Na+K"	61.952376
"252667"	660.590168	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+ACN+Na"	64.015768
"1233395"	362.302968	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+ACN+Na"	64.015768
"1718639"	362.326493	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+NH4+HCOOH"	64.039293
"1186910"	122.418284666667	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+3Na"	68.967654
"1660085"	367.281888	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Na+HCOOH"	68.994688
"166944"	673.49344	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+2K-H"	76.91904
"604318"	971.78064	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+2K-H"	76.91904
"1091019"	375.20624	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2K-H"	76.91904
"154041"	337.250358	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"2M+2K"	77.926316
"595788"	486.393958	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"3M+2K"	77.926316
"1082853"	188.106758	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2K"	77.926316
"1113509"	377.220792	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2K+H"	78.933592
"1347704"	377.308407	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+DMSO+H"	79.021207
"1019515"	381.347576	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2ACN+H"	83.060376
"1534722"	382.341208	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+IsoProp+Na+H"	84.054008
"997890"	191.177426	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+2ACN+2H"	84.067652
"1595674"	383.255828	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+K+HCOOH"	84.968628
"1426801"	413.287338	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+H+CF3COOH"	115.000138
"1154901"	211.690701	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+3ACN+2H"	125.094202
"1707736"	430.313885	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+NH4+CF3COOH"	132.026685
"1645575"	435.26928	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+Na+CF3COOH"	136.98208
"1580132"	451.24322	"C16794"	"Tuberculostearic acid"	"C19H38O2"	"298.2872"	"M+K+CF3COOH"	152.95602
"801705"	252.2089	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M"	0
"977474"	233.19051	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-H2O-H"	-19.01839
"70089"	167.131990666667	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M-3H"	-3.021828
"507463"	251.201624	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M-3H"	-3.021828
"885265"	83.0623573333333	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-3H"	-3.021828
"681"	251.201624	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M-2H"	-2.014552
"443401"	377.306074	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M-2H"	-2.014552
"818650"	125.097174	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-2H"	-2.014552
"86662"	503.410524	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M-H"	-1.007276
"524036"	755.619424	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M-H"	-1.007276
"897464"	251.201624	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-H"	-1.007276
"52934"	520.437071	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M-2H+NH4"	16.019271
"494682"	772.645971	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M-2H+NH4"	16.019271
"875765"	268.228171	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-2H+NH4"	16.019271
"32366"	525.392466	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M-2H+Na"	20.974666
"478853"	777.601366	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M-2H+Na"	20.974666
"852280"	273.183566	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-2H+Na"	20.974666
"1622911"	273.183566	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Na-2H"	20.974666
"109740"	269.189963	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M-H+Cl"	33.962126
"549461"	395.294413	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M-H+Cl"	33.962126
"942368"	143.085513	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-H+Cl"	33.962126
"282737"	539.387202	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+Cl"	34.969402
"675563"	791.596102	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+Cl"	34.969402
"1288017"	287.178302	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Cl"	34.969402
"29396"	541.366406	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M-2H+K"	36.948606
"467861"	793.575306	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M-2H+K"	36.948606
"846759"	289.157506	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-2H+K"	36.948606
"1569520"	289.157506	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+K-2H"	36.948606
"956673"	297.207094	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-H+HCOOH"	44.998194
"374160"	549.416001	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+HCOOH-H"	44.998201
"359502"	563.431651	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+Hac-H"	59.013851
"1503958"	311.222751	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Hac-H"	59.013851
"968585"	319.189051	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-H+NaCOOH"	66.980151
"124300"	287.178302	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+2Cl"	69.938804
"565480"	413.282752	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+2Cl"	69.938804
"1036838"	161.073852	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2Cl"	69.938804
"1256373"	331.127785	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Br"	78.918885
"1319819"	333.183772	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Cl+HCOOH"	80.974872
"1335226"	355.165729	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Cl+NaCOOH"	102.956829
"927006"	365.194486	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M-H+CF3COOH"	112.985586
"1296786"	401.171164	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Cl+CF3COOH"	148.962264
"1374945"	217.196224	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H-2H2O"	-35.012676
"1385880"	235.2062	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H-H2O"	-17.0027
"288847"	505.425076	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+H"	1.007276
"683454"	757.633976	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+H"	1.007276
"1358709"	253.216176	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H"	1.007276
"129407"	253.216176	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+2H"	2.014552
"568603"	379.320626	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+2H"	2.014552
"1047617"	127.111726	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2H"	2.014552
"211143"	169.146542666667	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+3H"	3.021828
"658005"	253.216176	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+3H"	3.021828
"1175401"	85.0769093333333	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+3H"	3.021828
"433205"	522.451623	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+NH4"	18.033823
"796388"	774.660523	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+NH4"	18.033823
"1690531"	270.242723	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+NH4"	18.033823
"339905"	261.7294495	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+H+NH4"	19.041099
"734511"	387.8338995	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+H+NH4"	19.041099
"1487240"	135.6249995	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H+NH4"	19.041099
"400453"	527.407018	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+Na"	22.989218
"765821"	779.615918	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+Na"	22.989218
"1612827"	275.198118	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Na"	22.989218
"322864"	264.207147	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+H+Na"	23.996494
"709084"	390.311597	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+H+Na"	23.996494
"1464732"	138.102697	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H+Na"	23.996494
"1059075"	92.4042233333333	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2H+Na"	25.00377
"1260753"	285.242386	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+CH3OH+H"	33.033486
"378231"	543.380958	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+K"	38.963158
"739955"	795.589858	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+K"	38.963158
"1542373"	291.172058	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+K"	38.963158
"303923"	272.194117	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+H+K"	39.970434
"693066"	398.298567	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+H+K"	39.970434
"1446887"	146.089667	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H+K"	39.970434
"241324"	546.451626	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+ACN+H"	42.033826
"1224617"	294.242726	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+ACN+H"	42.033826
"1207405"	147.625001	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+ACN+2H"	43.041102
"199183"	549.38896	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+2Na-H"	44.97116
"632183"	801.59786	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+2Na-H"	44.97116
"1138969"	297.18006	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2Na-H"	44.97116
"184447"	275.198118	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+2Na"	45.978436
"625831"	401.302568	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+2Na"	45.978436
"1129578"	149.093668	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2Na"	45.978436
"1412130"	99.7315373333333	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H+2Na"	46.985712
"1444491"	299.221646	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H+HCOOH"	47.012746
"223004"	280.23114	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+3H2O+2H"	56.04448
"1510335"	313.27369	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+IsoProp+H"	61.06479
"410021"	283.185088	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+Na+K"	61.952376
"770771"	409.289538	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+Na+K"	61.952376
"1666621"	157.080638	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Na+K"	61.952376
"254963"	568.433568	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+ACN+Na"	64.015768
"1230224"	316.224668	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+ACN+Na"	64.015768
"1722757"	316.248193	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+NH4+HCOOH"	64.039293
"1185560"	107.058851333333	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+3Na"	68.967654
"1658738"	321.203588	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Na+HCOOH"	68.994688
"166690"	581.33684	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+2K-H"	76.91904
"603333"	833.54574	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+2K-H"	76.91904
"1090036"	329.12794	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2K-H"	76.91904
"155245"	291.172058	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"2M+2K"	77.926316
"594804"	417.276508	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"3M+2K"	77.926316
"1082841"	165.067608	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2K"	77.926316
"1113982"	331.142492	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2K+H"	78.933592
"1347814"	331.230107	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+DMSO+H"	79.021207
"1018532"	335.269276	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2ACN+H"	83.060376
"1534468"	336.262908	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+IsoProp+Na+H"	84.054008
"998000"	168.138276	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+2ACN+2H"	84.067652
"1595784"	337.177528	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+K+HCOOH"	84.968628
"1426911"	367.209038	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+H+CF3COOH"	115.000138
"1155011"	188.651551	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+3ACN+2H"	125.094202
"1707846"	384.235585	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+NH4+CF3COOH"	132.026685
"1645685"	389.19098	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+Na+CF3COOH"	136.98208
"1580242"	405.16492	"C16795"	"Hydnocarpic acid"	"C16H28O2"	"252.2089"	"M+K+CF3COOH"	152.95602
"802103"	270.0528	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M"	0
"980864"	251.03441	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-H2O-H"	-19.01839
"72386"	179.027924	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M-3H"	-3.021828
"511946"	269.045524	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M-3H"	-3.021828
"888655"	89.010324	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-3H"	-3.021828
"6137"	269.045524	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M-2H"	-2.014552
"450071"	404.071924	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M-2H"	-2.014552
"819489"	134.019124	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-2H"	-2.014552
"88959"	539.098324	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M-H"	-1.007276
"524146"	809.151124	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M-H"	-1.007276
"898669"	269.045524	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-H"	-1.007276
"56324"	556.124871	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M-2H+NH4"	16.019271
"496979"	826.177671	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M-2H+NH4"	16.019271
"869313"	286.072071	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-2H+NH4"	16.019271
"35029"	561.080266	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M-2H+Na"	20.974666
"475682"	831.133066	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M-2H+Na"	20.974666
"852388"	291.027466	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-2H+Na"	20.974666
"1620827"	291.027466	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Na-2H"	20.974666
"108674"	287.033863	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M-H+Cl"	33.962126
"549657"	422.060263	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M-H+Cl"	33.962126
"941631"	152.007463	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-H+Cl"	33.962126
"281645"	575.075002	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+Cl"	34.969402
"674919"	845.127802	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+Cl"	34.969402
"1287442"	305.022202	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Cl"	34.969402
"30723"	577.054206	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M-2H+K"	36.948606
"470402"	847.107006	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M-2H+K"	36.948606
"844683"	307.001406	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-2H+K"	36.948606
"1568171"	307.001406	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+K-2H"	36.948606
"953868"	315.050994	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-H+HCOOH"	44.998194
"374271"	585.103801	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+HCOOH-H"	44.998201
"359613"	599.119451	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+Hac-H"	59.013851
"1502975"	329.066651	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Hac-H"	59.013851
"969789"	337.032951	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-H+NaCOOH"	66.980151
"125508"	305.022202	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+2Cl"	69.938804
"565590"	440.048602	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+2Cl"	69.938804
"1036663"	169.995802	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2Cl"	69.938804
"1256122"	348.971685	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Br"	78.918885
"1319260"	351.027672	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Cl+HCOOH"	80.974872
"1335207"	373.009629	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Cl+NaCOOH"	102.956829
"926708"	383.038386	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M-H+CF3COOH"	112.985586
"1296896"	419.015064	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Cl+CF3COOH"	148.962264
"1377242"	235.040124	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H-2H2O"	-35.012676
"1389270"	253.0501	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H-H2O"	-17.0027
"292237"	541.112876	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+H"	1.007276
"681378"	811.165676	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+H"	1.007276
"1359912"	271.060076	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H"	1.007276
"132797"	271.060076	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+2H"	2.014552
"570174"	406.086476	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+2H"	2.014552
"1042258"	136.033676	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2H"	2.014552
"206878"	181.042476	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+3H"	3.021828
"658849"	271.060076	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+3H"	3.021828
"1178063"	91.024876	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+3H"	3.021828
"437689"	558.139423	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+NH4"	18.033823
"794310"	828.192223	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+NH4"	18.033823
"1693921"	288.086623	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+NH4"	18.033823
"342202"	279.5733495	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+H+NH4"	19.041099
"735717"	414.5997495	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+H+NH4"	19.041099
"1490632"	144.5469495	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H+NH4"	19.041099
"406396"	563.094818	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+Na"	22.989218
"767756"	833.147618	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+Na"	22.989218
"1617312"	293.042018	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Na"	22.989218
"329892"	282.051047	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+H+Na"	23.996494
"711386"	417.077447	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+H+Na"	23.996494
"1474684"	147.024647	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H+Na"	23.996494
"1056999"	98.35219	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2H+Na"	25.00377
"1259769"	303.086286	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+CH3OH+H"	33.033486
"379435"	579.068758	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+K"	38.963158
"741525"	849.121558	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+K"	38.963158
"1543578"	309.015958	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+K"	38.963158
"305126"	290.038017	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+H+K"	39.970434
"696460"	425.064417	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+H+K"	39.970434
"1449186"	155.011617	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H+K"	39.970434
"241069"	582.139426	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+ACN+H"	42.033826
"1224609"	312.086626	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+ACN+H"	42.033826
"1208243"	156.546951	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+ACN+2H"	43.041102
"198200"	585.07676	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+2Na-H"	44.97116
"634481"	855.12956	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+2Na-H"	44.97116
"1140174"	315.02396	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2Na-H"	44.97116
"177996"	293.042018	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+2Na"	45.978436
"625943"	428.068418	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+2Na"	45.978436
"1130178"	158.015618	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2Na"	45.978436
"1413094"	105.679504	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H+2Na"	46.985712
"1443260"	317.065546	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H+HCOOH"	47.012746
"224206"	298.07504	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+3H2O+2H"	56.04448
"1511540"	331.11759	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+IsoProp+H"	61.06479
"409645"	301.028988	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+Na+K"	61.952376
"771128"	436.055388	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+Na+K"	61.952376
"1670011"	166.002588	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Na+K"	61.952376
"256167"	604.121368	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+ACN+Na"	64.015768
"1231063"	334.068568	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+ACN+Na"	64.015768
"1723962"	334.092093	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+NH4+HCOOH"	64.039293
"1185670"	113.006818	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+3Na"	68.967654
"1658118"	339.047488	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Na+HCOOH"	68.994688
"167894"	617.02464	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+2K-H"	76.91904
"600891"	887.07744	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+2K-H"	76.91904
"1090146"	346.97184	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2K-H"	76.91904
"156694"	309.015958	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"2M+2K"	77.926316
"596008"	444.042358	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"3M+2K"	77.926316
"1082706"	173.989558	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2K"	77.926316
"1112268"	348.986392	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2K+H"	78.933592
"1349626"	349.074007	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+DMSO+H"	79.021207
"1021264"	353.113176	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2ACN+H"	83.060376
"1534942"	354.106808	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+IsoProp+Na+H"	84.054008
"1000297"	177.060226	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+2ACN+2H"	84.067652
"1595894"	355.021428	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+K+HCOOH"	84.968628
"1423741"	385.052938	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+H+CF3COOH"	115.000138
"1157308"	197.573501	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+3ACN+2H"	125.094202
"1707954"	402.079485	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+NH4+CF3COOH"	132.026685
"1645795"	407.03488	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+Na+CF3COOH"	136.98208
"1580352"	423.00882	"C16796"	"Islandicin;Funiculosin"	"C15H10O5"	"270.0528"	"M+K+CF3COOH"	152.95602
"802335"	848.2164	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M"	0
"975142"	829.19801	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-H2O-H"	-19.01839
"69215"	564.470324	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M-3H"	-3.021828
"510963"	847.209124	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M-3H"	-3.021828
"888765"	281.731524	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-3H"	-3.021828
"9527"	847.209124	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M-2H"	-2.014552
"446901"	1271.317324	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M-2H"	-2.014552
"817654"	423.100924	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-2H"	-2.014552
"86882"	1695.425524	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M-H"	-1.007276
"524256"	2543.641924	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M-H"	-1.007276
"899142"	847.209124	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-H"	-1.007276
"48043"	1712.452071	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M-2H+NH4"	16.019271
"492714"	2560.668471	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M-2H+NH4"	16.019271
"869423"	864.235671	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-2H+NH4"	16.019271
"38417"	1717.407466	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M-2H+Na"	20.974666
"474697"	2565.623866	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M-2H+Na"	20.974666
"852498"	869.191066	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-2H+Na"	20.974666
"1619965"	869.191066	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Na-2H"	20.974666
"109148"	865.197463	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M-H+Cl"	33.962126
"548591"	1289.305663	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M-H+Cl"	33.962126
"941373"	441.089263	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-H+Cl"	33.962126
"281754"	1731.402202	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+Cl"	34.969402
"674541"	2579.618602	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+Cl"	34.969402
"1287993"	883.185802	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Cl"	34.969402
"30708"	1733.381406	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M-2H+K"	36.948606
"466987"	2581.597806	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M-2H+K"	36.948606
"844790"	885.165006	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-2H+K"	36.948606
"1568645"	885.165006	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+K-2H"	36.948606
"956526"	893.214594	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-H+HCOOH"	44.998194
"372192"	1741.431001	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+HCOOH-H"	44.998201
"355711"	1755.446651	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+Hac-H"	59.013851
"1500531"	907.230251	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Hac-H"	59.013851
"969170"	915.196551	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-H+NaCOOH"	66.980151
"123547"	883.185802	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+2Cl"	69.938804
"561648"	1307.294002	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+2Cl"	69.938804
"1034095"	459.077602	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2Cl"	69.938804
"1255860"	927.135285	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Br"	78.918885
"1318309"	929.191272	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Cl+HCOOH"	80.974872
"1333614"	951.173229	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Cl+NaCOOH"	102.956829
"921390"	961.201986	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M-H+CF3COOH"	112.985586
"1300286"	997.178664	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Cl+CF3COOH"	148.962264
"1378445"	813.203724	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H-2H2O"	-35.012676
"1388287"	831.2137	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H-H2O"	-17.0027
"292347"	1697.440076	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+H"	1.007276
"682582"	2545.656476	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+H"	1.007276
"1357835"	849.223676	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H"	1.007276
"131813"	849.223676	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+2H"	2.014552
"570285"	1273.331876	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+2H"	2.014552
"1039086"	425.115476	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2H"	2.014552
"205894"	566.484876	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+3H"	3.021828
"659198"	849.223676	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+3H"	3.021828
"1175619"	283.746076	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+3H"	3.021828
"435612"	1714.466623	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+NH4"	18.033823
"794418"	2562.683023	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+NH4"	18.033823
"1688562"	866.250223	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+NH4"	18.033823
"343405"	857.7369495	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+H+NH4"	19.041099
"737647"	1281.8451495	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+H+NH4"	19.041099
"1491470"	433.6287495	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H+NH4"	19.041099
"405049"	1719.422018	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+Na"	22.989218
"769324"	2567.638418	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+Na"	22.989218
"1615231"	871.205618	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Na"	22.989218
"327821"	860.214647	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+H+Na"	23.996494
"711496"	1284.322847	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+H+Na"	23.996494
"1473701"	436.106447	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H+Na"	23.996494
"1056380"	291.07339	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2H+Na"	25.00377
"1259515"	881.249886	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+CH3OH+H"	33.033486
"379182"	1735.395958	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+K"	38.963158
"740907"	2583.612358	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+K"	38.963158
"1544782"	887.179558	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+K"	38.963158
"306331"	868.201617	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+H+K"	39.970434
"696570"	1292.309817	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+H+K"	39.970434
"1450390"	444.093417	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H+K"	39.970434
"238993"	1738.466626	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+ACN+H"	42.033826
"1225082"	890.250226	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+ACN+H"	42.033826
"1205437"	445.628751	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+ACN+2H"	43.041102
"199403"	1741.40396	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+2Na-H"	44.97116
"634591"	2589.62036	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+2Na-H"	44.97116
"1139190"	893.18756	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2Na-H"	44.97116
"180293"	871.205618	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+2Na"	45.978436
"626657"	1295.313818	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+2Na"	45.978436
"1129558"	447.097418	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2Na"	45.978436
"1413203"	298.400704	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H+2Na"	46.985712
"1438998"	895.229146	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H+HCOOH"	47.012746
"227597"	876.23864	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+3H2O+2H"	56.04448
"1511649"	909.28119	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+IsoProp+H"	61.06479
"409513"	879.192588	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+Na+K"	61.952376
"774153"	1303.300788	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+Na+K"	61.952376
"1670850"	455.084388	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Na+K"	61.952376
"254818"	1760.448568	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+ACN+Na"	64.015768
"1231173"	912.232168	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+ACN+Na"	64.015768
"1718602"	912.255693	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+NH4+HCOOH"	64.039293
"1179583"	305.728018	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+3Na"	68.967654
"1654943"	917.211088	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Na+HCOOH"	68.994688
"165087"	1773.35184	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+2K-H"	76.91904
"597204"	2621.56824	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+2K-H"	76.91904
"1084905"	925.13544	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2K-H"	76.91904
"156316"	887.179558	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"2M+2K"	77.926316
"595510"	1311.287758	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"3M+2K"	77.926316
"1080992"	463.071358	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2K"	77.926316
"1110919"	927.149992	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2K+H"	78.933592
"1344024"	927.237607	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+DMSO+H"	79.021207
"1016928"	931.276776	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2ACN+H"	83.060376
"1531772"	932.270408	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+IsoProp+Na+H"	84.054008
"998220"	466.142026	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+2ACN+2H"	84.067652
"1590537"	933.185028	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+K+HCOOH"	84.968628
"1420571"	963.216538	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+H+CF3COOH"	115.000138
"1154138"	486.655301	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+3ACN+2H"	125.094202
"1704784"	980.243085	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+NH4+CF3COOH"	132.026685
"1644812"	985.19848	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+Na+CF3COOH"	136.98208
"1577182"	1001.17242	"C16797"	"Sennoside C"	"C42H40O19"	"848.2164"	"M+K+CF3COOH"	152.95602
"803174"	848.2164	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M"	0
"974887"	829.19801	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-H2O-H"	-19.01839
"66045"	564.470324	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M-3H"	-3.021828
"509980"	847.209124	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M-3H"	-3.021828
"883408"	281.731524	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-3H"	-3.021828
"6357"	847.209124	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M-2H"	-2.014552
"444824"	1271.317324	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M-2H"	-2.014552
"817883"	423.100924	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-2H"	-2.014552
"86992"	1695.425524	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M-H"	-1.007276
"522178"	2543.641924	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M-H"	-1.007276
"899252"	847.209124	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-H"	-1.007276
"48032"	1712.452071	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M-2H+NH4"	16.019271
"488205"	2560.668471	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M-2H+NH4"	16.019271
"868439"	864.235671	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-2H+NH4"	16.019271
"38527"	1717.407466	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M-2H+Na"	20.974666
"474807"	2565.623866	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M-2H+Na"	20.974666
"852608"	869.191066	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-2H+Na"	20.974666
"1620196"	869.191066	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Na-2H"	20.974666
"109751"	865.197463	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M-H+Cl"	33.962126
"549308"	1289.305663	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M-H+Cl"	33.962126
"942211"	441.089263	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-H+Cl"	33.962126
"282550"	1731.402202	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+Cl"	34.969402
"675380"	2579.618602	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+Cl"	34.969402
"1288332"	883.185802	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Cl"	34.969402
"31268"	1733.381406	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M-2H+K"	36.948606
"468919"	2581.597806	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M-2H+K"	36.948606
"844900"	885.165006	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-2H+K"	36.948606
"1569482"	885.165006	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+K-2H"	36.948606
"956271"	893.214594	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-H+HCOOH"	44.998194
"373395"	1741.431001	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+HCOOH-H"	44.998201
"356185"	1755.446651	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+Hac-H"	59.013851
"1500641"	907.230251	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Hac-H"	59.013851
"961621"	915.196551	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-H+NaCOOH"	66.980151
"120375"	883.185802	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+2Cl"	69.938804
"559936"	1307.294002	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+2Cl"	69.938804
"1033110"	459.077602	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2Cl"	69.938804
"1254877"	927.135285	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Br"	78.918885
"1317325"	929.191272	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Cl+HCOOH"	80.974872
"1334817"	951.173229	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Cl+NaCOOH"	102.956829
"922229"	961.201986	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M-H+CF3COOH"	112.985586
"1302218"	997.178664	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Cl+CF3COOH"	148.962264
"1378555"	813.203724	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H-2H2O"	-35.012676
"1389490"	831.2137	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H-H2O"	-17.0027
"289175"	1697.440076	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+H"	1.007276
"684876"	2545.656476	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+H"	1.007276
"1356852"	849.223676	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H"	1.007276
"129737"	849.223676	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+2H"	2.014552
"567598"	1273.331876	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+2H"	2.014552
"1038830"	425.115476	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2H"	2.014552
"205759"	566.484876	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+3H"	3.021828
"657971"	849.223676	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+3H"	3.021828
"1173543"	283.746076	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+3H"	3.021828
"434628"	1714.466623	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+NH4"	18.033823
"793434"	2562.683023	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+NH4"	18.033823
"1689765"	866.250223	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+NH4"	18.033823
"344244"	857.7369495	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+H+NH4"	19.041099
"734841"	1281.8451495	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+H+NH4"	19.041099
"1492471"	433.6287495	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H+NH4"	19.041099
"407344"	1719.422018	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+Na"	22.989218
"768705"	2567.638418	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+Na"	22.989218
"1615341"	871.205618	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Na"	22.989218
"328659"	860.214647	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+H+Na"	23.996494
"712336"	1284.322847	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+H+Na"	23.996494
"1470530"	436.106447	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H+Na"	23.996494
"1058313"	291.07339	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2H+Na"	25.00377
"1259261"	881.249886	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+CH3OH+H"	33.033486
"377712"	1735.395958	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+K"	38.963158
"740653"	2583.612358	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+K"	38.963158
"1545986"	887.179558	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+K"	38.963158
"305348"	868.201617	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+H+K"	39.970434
"696679"	1292.309817	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+H+K"	39.970434
"1450500"	444.093417	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H+K"	39.970434
"240196"	1738.466626	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+ACN+H"	42.033826
"1225194"	890.250226	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+ACN+H"	42.033826
"1205547"	445.628751	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+ACN+2H"	43.041102
"197326"	1741.40396	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+2Na-H"	44.97116
"633608"	2589.62036	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+2Na-H"	44.97116
"1136020"	893.18756	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2Na-H"	44.97116
"180403"	871.205618	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+2Na"	45.978436
"627496"	1295.313818	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+2Na"	45.978436
"1130761"	447.097418	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2Na"	45.978436
"1413436"	298.400704	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H+2Na"	46.985712
"1441294"	895.229146	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H+HCOOH"	47.012746
"227707"	876.23864	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+3H2O+2H"	56.04448
"1511759"	909.28119	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+IsoProp+H"	61.06479
"411081"	879.192588	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+Na+K"	61.952376
"773169"	1303.300788	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+Na+K"	61.952376
"1669501"	455.084388	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Na+K"	61.952376
"254928"	1760.448568	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+ACN+Na"	64.015768
"1230189"	912.232168	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+ACN+Na"	64.015768
"1720900"	912.255693	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+NH4+HCOOH"	64.039293
"1179693"	305.728018	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+3Na"	68.967654
"1654689"	917.211088	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Na+HCOOH"	68.994688
"165197"	1773.35184	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+2K-H"	76.91904
"597702"	2621.56824	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+2K-H"	76.91904
"1085373"	925.13544	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2K-H"	76.91904
"156548"	887.179558	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"2M+2K"	77.926316
"595499"	1311.287758	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"3M+2K"	77.926316
"1081102"	463.071358	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2K"	77.926316
"1110665"	927.149992	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2K+H"	78.933592
"1344133"	927.237607	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+DMSO+H"	79.021207
"1015943"	931.276776	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2ACN+H"	83.060376
"1531882"	932.270408	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+IsoProp+Na+H"	84.054008
"998330"	466.142026	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+2ACN+2H"	84.067652
"1590647"	933.185028	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+K+HCOOH"	84.968628
"1420681"	963.216538	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+H+CF3COOH"	115.000138
"1154248"	486.655301	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+3ACN+2H"	125.094202
"1704894"	980.243085	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+NH4+CF3COOH"	132.026685
"1644922"	985.19848	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+Na+CF3COOH"	136.98208
"1577292"	1001.17242	"C16798"	"Sennoside D"	"C42H40O19"	"848.2164"	"M+K+CF3COOH"	152.95602
"804742"	580.1792	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M"	0
"981195"	561.16081	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-H2O-H"	-19.01839
"68343"	385.778857333333	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M-3H"	-3.021828
"510091"	579.171924	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M-3H"	-3.021828
"888985"	192.385790666667	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-3H"	-3.021828
"5374"	579.171924	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M-2H"	-2.014552
"447122"	869.261524	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M-2H"	-2.014552
"822371"	289.082324	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-2H"	-2.014552
"87102"	1159.351124	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M-H"	-1.007276
"524840"	1739.530324	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M-H"	-1.007276
"900455"	579.171924	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-H"	-1.007276
"47254"	1176.377671	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M-2H+NH4"	16.019271
"487175"	1756.556871	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M-2H+NH4"	16.019271
"865632"	596.198471	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-2H+NH4"	16.019271
"39730"	1181.333066	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M-2H+Na"	20.974666
"473823"	1761.512266	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M-2H+Na"	20.974666
"851625"	601.153866	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-2H+Na"	20.974666
"1620064"	601.153866	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Na-2H"	20.974666
"97685"	597.160263	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M-H+Cl"	33.962126
"549859"	887.249863	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M-H+Cl"	33.962126
"942761"	307.070663	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-H+Cl"	33.962126
"281725"	1195.327802	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+Cl"	34.969402
"675410"	1775.507002	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+Cl"	34.969402
"1288465"	615.148602	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Cl"	34.969402
"30806"	1197.307006	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M-2H+K"	36.948606
"467206"	1777.486206	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M-2H+K"	36.948606
"845008"	617.127806	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-2H+K"	36.948606
"1567403"	617.127806	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+K-2H"	36.948606
"957111"	625.177394	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-H+HCOOH"	44.998194
"373506"	1205.356601	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+HCOOH-H"	44.998201
"356295"	1219.372251	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+Hac-H"	59.013851
"1497471"	639.193051	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Hac-H"	59.013851
"962824"	647.159351	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-H+NaCOOH"	66.980151
"119386"	615.148602	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+2Cl"	69.938804
"558949"	905.238202	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+2Cl"	69.938804
"1036497"	325.059002	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2Cl"	69.938804
"1254985"	659.098085	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Br"	78.918885
"1317066"	661.154072	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Cl+HCOOH"	80.974872
"1332740"	683.136029	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Cl+NaCOOH"	102.956829
"922703"	693.164786	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M-H+CF3COOH"	112.985586
"1300505"	729.141464	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Cl+CF3COOH"	148.962264
"1378665"	545.166524	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H-2H2O"	-35.012676
"1388507"	563.1765	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H-H2O"	-17.0027
"286005"	1161.365676	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+H"	1.007276
"679517"	1741.544876	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+H"	1.007276
"1359148"	581.186476	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H"	1.007276
"129848"	581.186476	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+2H"	2.014552
"567950"	871.276076	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+2H"	2.014552
"1038577"	291.096876	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2H"	2.014552
"205141"	387.793409333333	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+3H"	3.021828
"659418"	581.186476	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+3H"	3.021828
"1173653"	194.400342666667	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+3H"	3.021828
"433645"	1178.392223	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+NH4"	18.033823
"792451"	1758.571423	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+NH4"	18.033823
"1689875"	598.213023	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+NH4"	18.033823
"344718"	589.6997495	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+H+NH4"	19.041099
"733858"	879.7893495	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+H+NH4"	19.041099
"1492054"	299.6101495	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H+NH4"	19.041099
"406361"	1183.347618	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+Na"	22.989218
"769626"	1763.526818	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+Na"	22.989218
"1615451"	603.168418	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Na"	22.989218
"326582"	592.177447	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+H+Na"	23.996494
"719857"	882.267047	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+H+Na"	23.996494
"1475744"	302.087847	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H+Na"	23.996494
"1063883"	201.727656666667	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2H+Na"	25.00377
"1263374"	613.212686	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+CH3OH+H"	33.033486
"379396"	1199.321558	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+K"	38.963158
"747319"	1779.500758	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+K"	38.963158
"1546091"	619.142358	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+K"	38.963158
"304360"	600.164417	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+H+K"	39.970434
"692769"	890.254017	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+H+K"	39.970434
"1450609"	310.074817	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H+K"	39.970434
"241398"	1202.392226	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+ACN+H"	42.033826
"1225501"	622.213026	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+ACN+H"	42.033826
"1208209"	311.610151	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+ACN+2H"	43.041102
"204067"	1205.32956	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+2Na-H"	44.97116
"643317"	1785.50876	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+2Na-H"	44.97116
"1145970"	625.15036	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2Na-H"	44.97116
"188491"	603.168418	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+2Na"	45.978436
"628103"	893.258018	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+2Na"	45.978436
"1131073"	313.078818	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2Na"	45.978436
"1414076"	209.054970666667	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H+2Na"	46.985712
"1445459"	627.191946	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H+HCOOH"	47.012746
"226724"	608.20144	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+3H2O+2H"	56.04448
"1511869"	641.24399	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+IsoProp+H"	61.06479
"413379"	611.155388	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+Na+K"	61.952376
"773279"	901.244988	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+Na+K"	61.952376
"1668882"	321.065788	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Na+K"	61.952376
"255038"	1224.374168	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+ACN+Na"	64.015768
"1232486"	644.194968	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+ACN+Na"	64.015768
"1721010"	644.218493	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+NH4+HCOOH"	64.039293
"1184542"	216.382284666667	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+3Na"	68.967654
"1654435"	649.173888	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Na+HCOOH"	68.994688
"165307"	1237.27744	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+2K-H"	76.91904
"598545"	1817.45664	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+2K-H"	76.91904
"1086822"	657.09824	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2K-H"	76.91904
"154954"	619.142358	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"2M+2K"	77.926316
"595853"	909.231958	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"3M+2K"	77.926316
"1082306"	329.052758	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2K"	77.926316
"1112233"	659.112792	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2K+H"	78.933592
"1346066"	659.200407	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+DMSO+H"	79.021207
"1016053"	663.239576	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2ACN+H"	83.060376
"1531992"	664.233208	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+IsoProp+Na+H"	84.054008
"998440"	332.123426	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+2ACN+2H"	84.067652
"1592944"	665.147828	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+K+HCOOH"	84.968628
"1420791"	695.179338	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+H+CF3COOH"	115.000138
"1156545"	352.636701	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+3ACN+2H"	125.094202
"1706098"	712.205885	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+NH4+CF3COOH"	132.026685
"1646125"	717.16128	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+Na+CF3COOH"	136.98208
"1577402"	733.13522	"C16799"	"Cascaroside B"	"C27H32O14"	"580.1792"	"M+K+CF3COOH"	152.95602
"804488"	564.1843	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M"	0
"981304"	545.16591	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-H2O-H"	-19.01839
"70641"	375.115590666667	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M-3H"	-3.021828
"510199"	563.177024	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M-3H"	-3.021828
"888002"	187.054157333333	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-3H"	-3.021828
"6575"	563.177024	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M-2H"	-2.014552
"439973"	845.269174	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M-2H"	-2.014552
"818471"	281.084874	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-2H"	-2.014552
"79068"	1127.361324	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M-H"	-1.007276
"518954"	1691.545624	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M-H"	-1.007276
"900201"	563.177024	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-H"	-1.007276
"47648"	1144.387871	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M-2H+NH4"	16.019271
"487208"	1708.572171	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M-2H+NH4"	16.019271
"865377"	580.203571	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-2H+NH4"	16.019271
"36558"	1149.343266	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M-2H+Na"	20.974666
"478306"	1713.527566	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M-2H+Na"	20.974666
"850641"	585.158966	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-2H+Na"	20.974666
"1622361"	585.158966	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Na-2H"	20.974666
"95608"	581.165363	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M-H+Cl"	33.962126
"549033"	863.257513	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M-H+Cl"	33.962126
"942188"	299.073213	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-H+Cl"	33.962126
"281835"	1163.338002	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+Cl"	34.969402
"675395"	1727.522302	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+Cl"	34.969402
"1284837"	599.153702	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Cl"	34.969402
"27756"	1165.317206	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M-2H+K"	36.948606
"467316"	1729.501506	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M-2H+K"	36.948606
"842932"	601.132906	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-2H+K"	36.948606
"1569579"	601.132906	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+K-2H"	36.948606
"956492"	609.182494	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-H+HCOOH"	44.998194
"374346"	1173.366801	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+HCOOH-H"	44.998201
"356405"	1187.382451	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+Hac-H"	59.013851
"1498674"	623.198151	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Hac-H"	59.013851
"964027"	631.164451	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-H+NaCOOH"	66.980151
"119496"	599.153702	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+2Cl"	69.938804
"559059"	881.245852	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+2Cl"	69.938804
"1035879"	317.061552	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2Cl"	69.938804
"1255095"	643.103185	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Br"	78.918885
"1317540"	645.159172	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Cl+HCOOH"	80.974872
"1332850"	667.141129	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Cl+NaCOOH"	102.956829
"922813"	677.169886	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M-H+CF3COOH"	112.985586
"1299522"	713.146564	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Cl+CF3COOH"	148.962264
"1378775"	529.171624	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H-2H2O"	-35.012676
"1391897"	547.1816	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H-H2O"	-17.0027
"286479"	1129.375876	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+H"	1.007276
"679628"	1693.560176	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+H"	1.007276
"1360351"	565.191576	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H"	1.007276
"129959"	565.191576	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+2H"	2.014552
"569883"	847.283726	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+2H"	2.014552
"1038687"	283.099426	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2H"	2.014552
"205131"	377.130142666667	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+3H"	3.021828
"656733"	565.191576	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+3H"	3.021828
"1175586"	189.068709333333	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+3H"	3.021828
"432659"	1146.402423	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+NH4"	18.033823
"792561"	1710.586723	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+NH4"	18.033823
"1685611"	582.218123	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+NH4"	18.033823
"344586"	573.7048495	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+H+NH4"	19.041099
"736155"	855.7969995	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+H+NH4"	19.041099
"1491071"	291.6126995	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H+NH4"	19.041099
"405744"	1151.357818	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+Na"	22.989218
"768196"	1715.542118	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+Na"	22.989218
"1614468"	587.173518	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Na"	22.989218
"327787"	576.182547	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+H+Na"	23.996494
"721183"	858.274697	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+H+Na"	23.996494
"1475733"	294.090397	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H+Na"	23.996494
"1061806"	196.396023333333	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2H+Na"	25.00377
"1262390"	597.217786	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+CH3OH+H"	33.033486
"379871"	1167.331758	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+K"	38.963158
"748522"	1731.516058	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+K"	38.963158
"1547294"	603.147458	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+K"	38.963158
"304470"	584.169517	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+H+K"	39.970434
"693609"	866.261667	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+H+K"	39.970434
"1450720"	302.077367	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H+K"	39.970434
"241507"	1170.402426	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+ACN+H"	42.033826
"1225176"	606.218126	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+ACN+H"	42.033826
"1209047"	303.612701	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+ACN+2H"	43.041102
"204075"	1173.33976	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+2Na-H"	44.97116
"641482"	1737.52406	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+2Na-H"	44.97116
"1142800"	609.15546	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2Na-H"	44.97116
"187184"	587.173518	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+2Na"	45.978436
"628125"	869.265668	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+2Na"	45.978436
"1130129"	305.081368	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2Na"	45.978436
"1413047"	203.723337333333	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H+2Na"	46.985712
"1444431"	611.197046	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H+HCOOH"	47.012746
"225741"	592.20654	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+3H2O+2H"	56.04448
"1512709"	625.24909	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+IsoProp+H"	61.06479
"411302"	595.160488	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+Na+K"	61.952376
"771568"	877.252638	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+Na+K"	61.952376
"1666806"	313.068338	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Na+K"	61.952376
"257335"	1192.384368	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+ACN+Na"	64.015768
"1229317"	628.200068	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+ACN+Na"	64.015768
"1720027"	628.223593	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+NH4+HCOOH"	64.039293
"1184652"	211.050651333333	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+3Na"	68.967654
"1651993"	633.178988	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Na+HCOOH"	68.994688
"162137"	1205.28764	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+2K-H"	76.91904
"598045"	1769.47194	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+2K-H"	76.91904
"1085110"	641.10334	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2K-H"	76.91904
"155064"	603.147458	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"2M+2K"	77.926316
"595717"	885.239608	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"3M+2K"	77.926316
"1082416"	321.055308	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2K"	77.926316
"1111250"	643.117892	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2K+H"	78.933592
"1347270"	643.205507	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+DMSO+H"	79.021207
"1016164"	647.244676	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2ACN+H"	83.060376
"1532102"	648.238308	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+IsoProp+Na+H"	84.054008
"998550"	324.125976	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+2ACN+2H"	84.067652
"1596334"	649.152928	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+K+HCOOH"	84.968628
"1420901"	679.184438	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+H+CF3COOH"	115.000138
"1156655"	344.639251	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+3ACN+2H"	125.094202
"1707301"	696.210985	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+NH4+CF3COOH"	132.026685
"1644048"	701.16638	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+Na+CF3COOH"	136.98208
"1577512"	717.14032	"C16800"	"Cascaroside D"	"C27H32O13"	"564.1843"	"M+K+CF3COOH"	152.95602
"803504"	564.1843	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M"	0
"981414"	545.16591	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-H2O-H"	-19.01839
"70751"	375.115590666667	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M-3H"	-3.021828
"511402"	563.177024	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M-3H"	-3.021828
"889205"	187.054157333333	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-3H"	-3.021828
"6685"	563.177024	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M-2H"	-2.014552
"442965"	845.269174	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M-2H"	-2.014552
"820767"	281.084874	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-2H"	-2.014552
"79666"	1127.361324	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M-H"	-1.007276
"520320"	1691.545624	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M-H"	-1.007276
"901404"	563.177024	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-H"	-1.007276
"47237"	1144.387871	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M-2H+NH4"	16.019271
"487681"	1708.572171	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M-2H+NH4"	16.019271
"867673"	580.203571	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-2H+NH4"	16.019271
"36668"	1149.343266	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M-2H+Na"	20.974666
"479509"	1713.527566	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M-2H+Na"	20.974666
"851843"	585.158966	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-2H+Na"	20.974666
"1622470"	585.158966	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Na-2H"	20.974666
"96811"	581.165363	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M-H+Cl"	33.962126
"540751"	863.257513	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M-H+Cl"	33.962126
"941932"	299.073213	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-H+Cl"	33.962126
"281943"	1163.338002	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+Cl"	34.969402
"672906"	1727.522302	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+Cl"	34.969402
"1286283"	599.153702	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Cl"	34.969402
"30418"	1165.317206	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M-2H+K"	36.948606
"469857"	1729.501506	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M-2H+K"	36.948606
"845593"	601.132906	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-2H+K"	36.948606
"1569690"	601.132906	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+K-2H"	36.948606
"954046"	609.182494	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-H+HCOOH"	44.998194
"372634"	1173.366801	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+HCOOH-H"	44.998201
"356517"	1187.382451	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+Hac-H"	59.013851
"1500972"	623.198151	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Hac-H"	59.013851
"970699"	631.164451	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-H+NaCOOH"	66.980151
"119606"	599.153702	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+2Cl"	69.938804
"560260"	881.245852	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+2Cl"	69.938804
"1032341"	317.061552	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2Cl"	69.938804
"1253014"	643.103185	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Br"	78.918885
"1313274"	645.159172	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Cl+HCOOH"	80.974872
"1332958"	667.141129	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Cl+NaCOOH"	102.956829
"921829"	677.169886	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M-H+CF3COOH"	112.985586
"1301818"	713.146564	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Cl+CF3COOH"	148.962264
"1375605"	529.171624	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H-2H2O"	-35.012676
"1393100"	547.1816	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H-H2O"	-17.0027
"286952"	1129.375876	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+H"	1.007276
"683380"	1693.560176	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+H"	1.007276
"1356088"	565.191576	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H"	1.007276
"132256"	565.191576	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+2H"	2.014552
"571816"	847.283726	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+2H"	2.014552
"1039522"	283.099426	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2H"	2.014552
"205601"	377.130142666667	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+3H"	3.021828
"656843"	565.191576	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+3H"	3.021828
"1176425"	189.068709333333	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+3H"	3.021828
"436048"	1146.402423	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+NH4"	18.033823
"792671"	1710.586723	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+NH4"	18.033823
"1686085"	582.218123	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+NH4"	18.033823
"343845"	573.7048495	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+H+NH4"	19.041099
"736265"	855.7969995	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+H+NH4"	19.041099
"1492035"	291.6126995	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H+NH4"	19.041099
"405488"	1151.357818	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+Na"	22.989218
"766480"	1715.542118	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+Na"	22.989218
"1615671"	587.173518	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Na"	22.989218
"321334"	576.182547	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+H+Na"	23.996494
"718130"	858.274697	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+H+Na"	23.996494
"1474504"	294.090397	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H+Na"	23.996494
"1061915"	196.396023333333	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2H+Na"	25.00377
"1260313"	597.217786	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+CH3OH+H"	33.033486
"381073"	1167.331758	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+K"	38.963158
"749725"	1731.516058	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+K"	38.963158
"1547404"	603.147458	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+K"	38.963158
"304580"	584.169517	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+H+K"	39.970434
"693719"	866.261667	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+H+K"	39.970434
"1453017"	302.077367	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H+K"	39.970434
"240524"	1170.402426	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+ACN+H"	42.033826
"1225603"	606.218126	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+ACN+H"	42.033826
"1208066"	303.612701	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+ACN+2H"	43.041102
"202032"	1173.33976	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+2Na-H"	44.97116
"640499"	1737.52406	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+2Na-H"	44.97116
"1145221"	609.15546	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2Na-H"	44.97116
"186931"	587.173518	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+2Na"	45.978436
"626857"	869.265668	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+2Na"	45.978436
"1127081"	305.081368	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2Na"	45.978436
"1412794"	203.723337333333	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H+2Na"	46.985712
"1443450"	611.197046	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H+HCOOH"	47.012746
"228038"	592.20654	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+3H2O+2H"	56.04448
"1511725"	625.24909	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+IsoProp+H"	61.06479
"413597"	595.160488	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+Na+K"	61.952376
"771313"	877.252638	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+Na+K"	61.952376
"1667644"	313.068338	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Na+K"	61.952376
"255258"	1192.384368	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+ACN+Na"	64.015768
"1231613"	628.200068	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+ACN+Na"	64.015768
"1718678"	628.223593	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+NH4+HCOOH"	64.039293
"1181117"	211.050651333333	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+3Na"	68.967654
"1655386"	633.178988	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Na+HCOOH"	68.994688
"163341"	1205.28764	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+2K-H"	76.91904
"597626"	1769.47194	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+2K-H"	76.91904
"1085096"	641.10334	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2K-H"	76.91904
"157002"	603.147458	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"2M+2K"	77.926316
"595222"	885.239608	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"3M+2K"	77.926316
"1079246"	321.055308	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2K"	77.926316
"1110631"	643.117892	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2K+H"	78.933592
"1347380"	643.205507	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+DMSO+H"	79.021207
"1011899"	647.244676	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2ACN+H"	83.060376
"1528931"	648.238308	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+IsoProp+Na+H"	84.054008
"998660"	324.125976	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+2ACN+2H"	84.067652
"1593164"	649.152928	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+K+HCOOH"	84.968628
"1417000"	679.184438	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+H+CF3COOH"	115.000138
"1154578"	344.639251	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+3ACN+2H"	125.094202
"1707411"	696.210985	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+NH4+CF3COOH"	132.026685
"1645252"	701.16638	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+Na+CF3COOH"	136.98208
"1577622"	717.14032	"C16801"	"Cascaroside C"	"C27H32O13"	"564.1843"	"M+K+CF3COOH"	152.95602
"802521"	578.1636	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M"	0
"981524"	559.14521	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-H2O-H"	-19.01839
"70861"	384.435124	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M-3H"	-3.021828
"511513"	577.156324	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M-3H"	-3.021828
"887130"	191.713924	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-3H"	-3.021828
"10075"	577.156324	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M-2H"	-2.014552
"443075"	866.238124	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M-2H"	-2.014552
"819784"	288.074524	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-2H"	-2.014552
"82327"	1155.319924	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M-H"	-1.007276
"521523"	1733.483524	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M-H"	-1.007276
"901514"	577.156324	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-H"	-1.007276
"47498"	1172.346471	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M-2H+NH4"	16.019271
"488275"	1750.510071	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M-2H+NH4"	16.019271
"866690"	594.182871	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-2H+NH4"	16.019271
"36778"	1177.301866	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M-2H+Na"	20.974666
"479619"	1755.465466	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M-2H+Na"	20.974666
"850860"	599.138266	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-2H+Na"	20.974666
"1621487"	599.138266	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Na-2H"	20.974666
"95827"	595.144663	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M-H+Cl"	33.962126
"543046"	884.226463	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M-H+Cl"	33.962126
"935468"	306.062863	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-H+Cl"	33.962126
"280591"	1191.296602	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+Cl"	34.969402
"665359"	1769.460202	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+Cl"	34.969402
"1285417"	613.133002	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Cl"	34.969402
"30285"	1193.275806	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M-2H+K"	36.948606
"468993"	1771.439406	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M-2H+K"	36.948606
"845337"	615.112206	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-2H+K"	36.948606
"1564450"	615.112206	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+K-2H"	36.948606
"954156"	623.161794	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-H+HCOOH"	44.998194
"373473"	1201.325401	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+HCOOH-H"	44.998201
"356626"	1215.341051	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+Hac-H"	59.013851
"1495614"	637.177451	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Hac-H"	59.013851
"970809"	645.143751	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-H+NaCOOH"	66.980151
"116436"	613.133002	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+2Cl"	69.938804
"557090"	902.214802	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+2Cl"	69.938804
"1032087"	324.051202	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2Cl"	69.938804
"1254217"	657.082485	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Br"	78.918885
"1319178"	659.138472	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Cl+HCOOH"	80.974872
"1329786"	681.120429	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Cl+NaCOOH"	102.956829
"921939"	691.149186	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M-H+CF3COOH"	112.985586
"1303021"	727.125864	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Cl+CF3COOH"	148.962264
"1376808"	543.150924	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H-2H2O"	-35.012676
"1392116"	561.1609	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H-H2O"	-17.0027
"286334"	1157.334476	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+H"	1.007276
"678754"	1735.498076	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+H"	1.007276
"1355104"	579.170876	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H"	1.007276
"129086"	579.170876	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+2H"	2.014552
"568645"	868.252676	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+2H"	2.014552
"1037687"	290.089076	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2H"	2.014552
"204614"	386.449676	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+3H"	3.021828
"655861"	579.170876	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+3H"	3.021828
"1175442"	193.728476	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+3H"	3.021828
"437254"	1174.361023	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+NH4"	18.033823
"796063"	1752.524623	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+NH4"	18.033823
"1689113"	596.197423	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+NH4"	18.033823
"341768"	587.6841495	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+H+NH4"	19.041099
"734188"	876.7659495	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+H+NH4"	19.041099
"1488010"	298.6023495	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H+NH4"	19.041099
"403409"	1179.316418	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+Na"	22.989218
"766590"	1757.480018	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+Na"	22.989218
"1612501"	601.152818	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Na"	22.989218
"318164"	590.161847	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+H+Na"	23.996494
"714960"	879.243647	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+H+Na"	23.996494
"1470969"	301.080047	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H+Na"	23.996494
"1060931"	201.05579	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2H+Na"	25.00377
"1260423"	611.197086	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+CH3OH+H"	33.033486
"378266"	1195.290358	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+K"	38.963158
"749835"	1773.453958	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+K"	38.963158
"1548607"	617.126758	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+K"	38.963158
"303596"	598.148817	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+H+K"	39.970434
"692736"	887.230617	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+H+K"	39.970434
"1452033"	309.067017	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H+K"	39.970434
"239541"	1198.361026	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+ACN+H"	42.033826
"1225276"	620.197426	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+ACN+H"	42.033826
"1208909"	310.602351	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+ACN+2H"	43.041102
"203248"	1201.29836	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+2Na-H"	44.97116
"643651"	1779.46196	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+2Na-H"	44.97116
"1144726"	623.13476	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2Na-H"	44.97116
"187410"	601.152818	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+2Na"	45.978436
"624050"	890.234618	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+2Na"	45.978436
"1127921"	312.071018	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2Na"	45.978436
"1412785"	208.383104	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H+2Na"	46.985712
"1443924"	625.176346	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H+HCOOH"	47.012746
"224866"	606.18584	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+3H2O+2H"	56.04448
"1514023"	639.22839	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+IsoProp+H"	61.06479
"413708"	609.139788	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+Na+K"	61.952376
"772880"	898.221588	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+Na+K"	61.952376
"1669942"	320.057988	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Na+K"	61.952376
"256462"	1220.342968	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+ACN+Na"	64.015768
"1231360"	642.179368	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+ACN+Na"	64.015768
"1719517"	642.202893	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+NH4+HCOOH"	64.039293
"1183050"	215.710418	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+3Na"	68.967654
"1657684"	647.158288	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Na+HCOOH"	68.994688
"163451"	1233.24624	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+2K-H"	76.91904
"597779"	1811.40984	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+2K-H"	76.91904
"1085935"	655.08264	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2K-H"	76.91904
"156259"	617.126758	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"2M+2K"	77.926316
"595210"	906.208558	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"3M+2K"	77.926316
"1081786"	328.044958	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2K"	77.926316
"1111470"	657.097192	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2K+H"	78.933592
"1348219"	657.184807	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+DMSO+H"	79.021207
"1013102"	661.223976	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2ACN+H"	83.060376
"1532322"	662.217608	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+IsoProp+Na+H"	84.054008
"998771"	331.115626	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+2ACN+2H"	84.067652
"1593275"	663.132228	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+K+HCOOH"	84.968628
"1418934"	693.163738	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+H+CF3COOH"	115.000138
"1157968"	351.628901	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+3ACN+2H"	125.094202
"1707521"	710.190285	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+NH4+CF3COOH"	132.026685
"1644268"	715.14568	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+Na+CF3COOH"	136.98208
"1577732"	731.11962	"C16802"	"Glucofrangulin A"	"C27H30O14"	"578.1636"	"M+K+CF3COOH"	152.95602
"811379"	564.1479	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M"	0
"983821"	545.12951	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-H2O-H"	-19.01839
"67691"	375.091324	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M-3H"	-3.021828
"514903"	563.140624	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M-3H"	-3.021828
"892705"	187.042024	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-3H"	-3.021828
"13467"	563.140624	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M-2H"	-2.014552
"445371"	845.214574	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M-2H"	-2.014552
"819894"	281.066674	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-2H"	-2.014552
"80614"	1127.288524	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M-H"	-1.007276
"521634"	1691.436424	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M-H"	-1.007276
"898344"	563.140624	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-H"	-1.007276
"47733"	1144.315071	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M-2H+NH4"	16.019271
"488389"	1708.462971	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M-2H+NH4"	16.019271
"865098"	580.167171	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-2H+NH4"	16.019271
"36888"	1149.270466	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M-2H+Na"	20.974666
"478636"	1713.418366	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M-2H+Na"	20.974666
"850241"	585.122566	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-2H+Na"	20.974666
"1621962"	585.122566	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Na-2H"	20.974666
"95209"	581.128963	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M-H+Cl"	33.962126
"542063"	863.202913	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M-H+Cl"	33.962126
"932298"	299.055013	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-H+Cl"	33.962126
"273041"	1163.265202	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+Cl"	34.969402
"668749"	1727.413102	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+Cl"	34.969402
"1278966"	599.117302	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Cl"	34.969402
"31230"	1165.244406	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M-2H+K"	36.948606
"466551"	1729.392306	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M-2H+K"	36.948606
"847269"	601.096506	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-2H+K"	36.948606
"1568571"	601.096506	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+K-2H"	36.948606
"954995"	609.146094	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-H+HCOOH"	44.998194
"373946"	1173.294001	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+HCOOH-H"	44.998201
"356735"	1187.309651	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+Hac-H"	59.013851
"1494630"	623.161751	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Hac-H"	59.013851
"964359"	631.128051	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-H+NaCOOH"	66.980151
"116546"	599.117302	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+2Cl"	69.938804
"557200"	881.191252	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+2Cl"	69.938804
"1032561"	317.043352	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2Cl"	69.938804
"1252870"	643.066785	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Br"	78.918885
"1317870"	645.122772	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Cl+HCOOH"	80.974872
"1326616"	667.104729	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Cl+NaCOOH"	102.956829
"918769"	677.133486	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M-H+CF3COOH"	112.985586
"1293290"	713.110164	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Cl+CF3COOH"	148.962264
"1370358"	529.135224	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H-2H2O"	-35.012676
"1385666"	547.1452	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H-H2O"	-17.0027
"287537"	1129.303076	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+H"	1.007276
"678864"	1693.450976	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+H"	1.007276
"1353027"	565.155176	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H"	1.007276
"127009"	565.155176	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+2H"	2.014552
"567661"	847.229126	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+2H"	2.014552
"1037796"	283.081226	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2H"	2.014552
"204331"	377.105876	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+3H"	3.021828
"654877"	565.155176	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+3H"	3.021828
"1173000"	189.056576	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+3H"	3.021828
"432991"	1146.329623	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+NH4"	18.033823
"792893"	1710.477523	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+NH4"	18.033823
"1686671"	582.181723	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+NH4"	18.033823
"338598"	573.6684495	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+H+NH4"	19.041099
"733934"	855.7423995	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+H+NH4"	19.041099
"1487025"	291.5944995	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H+NH4"	19.041099
"403520"	1151.285018	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+Na"	22.989218
"764514"	1715.432918	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+Na"	22.989218
"1614798"	587.137118	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Na"	22.989218
"318274"	576.146147	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+H+Na"	23.996494
"717256"	858.220097	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+H+Na"	23.996494
"1472173"	294.072197	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H+Na"	23.996494
"1061041"	196.38389	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2H+Na"	25.00377
"1260897"	597.181386	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+CH3OH+H"	33.033486
"378742"	1167.258958	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+K"	38.963158
"741925"	1731.406858	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+K"	38.963158
"1545437"	603.111058	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+K"	38.963158
"303707"	584.133117	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+H+K"	39.970434
"695032"	866.207067	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+H+K"	39.970434
"1452144"	302.059167	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H+K"	39.970434
"240015"	1170.329626	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+ACN+H"	42.033826
"1225014"	606.181726	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+ACN+H"	42.033826
"1209222"	303.594501	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+ACN+2H"	43.041102
"204083"	1173.26696	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+2Na-H"	44.97116
"642787"	1737.41486	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+2Na-H"	44.97116
"1144592"	609.11906	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2Na-H"	44.97116
"187154"	587.137118	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+2Na"	45.978436
"623794"	869.211068	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+2Na"	45.978436
"1127298"	305.063168	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2Na"	45.978436
"1412284"	203.711204	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H+2Na"	46.985712
"1442937"	611.160646	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H+HCOOH"	47.012746
"224249"	592.17014	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+3H2O+2H"	56.04448
"1515226"	625.21269	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+IsoProp+H"	61.06479
"412723"	595.124088	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+Na+K"	61.952376
"773718"	877.198038	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+Na+K"	61.952376
"1671509"	313.050138	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Na+K"	61.952376
"255112"	1192.311568	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+ACN+Na"	64.015768
"1228917"	628.163668	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+ACN+Na"	64.015768
"1717439"	628.187193	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+NH4+HCOOH"	64.039293
"1183525"	211.038518	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+3Na"	68.967654
"1657792"	633.142588	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Na+HCOOH"	68.994688
"165748"	1205.21484	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+2K-H"	76.91904
"600199"	1769.36274	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+2K-H"	76.91904
"1086168"	641.06694	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2K-H"	76.91904
"155031"	603.111058	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"2M+2K"	77.926316
"592400"	885.185008	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"3M+2K"	77.926316
"1079829"	321.037108	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2K"	77.926316
"1109028"	643.081492	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2K+H"	78.933592
"1347235"	643.169107	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+DMSO+H"	79.021207
"1012119"	647.208276	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2ACN+H"	83.060376
"1532433"	648.201908	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+IsoProp+Na+H"	84.054008
"995601"	324.107776	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+2ACN+2H"	84.067652
"1596665"	649.116528	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+K+HCOOH"	84.968628
"1421231"	679.148038	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+H+CF3COOH"	115.000138
"1158078"	344.621051	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+3ACN+2H"	125.094202
"1707631"	696.174585	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+NH4+CF3COOH"	132.026685
"1643285"	701.12998	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+Na+CF3COOH"	136.98208
"1577842"	717.10392	"C16803"	"Glucofrangulin B"	"C26H28O14"	"564.1479"	"M+K+CF3COOH"	152.95602
"804928"	170.0579	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M"	0
"981744"	151.03951	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-H2O-H"	-19.01839
"67801"	112.364657333333	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M-3H"	-3.021828
"515013"	169.050624	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M-3H"	-3.021828
"892815"	55.6786906666667	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-3H"	-3.021828
"13578"	169.050624	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M-2H"	-2.014552
"444388"	254.079574	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M-2H"	-2.014552
"828752"	84.021674	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-2H"	-2.014552
"82911"	339.108524	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M-H"	-1.007276
"525024"	509.166424	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M-H"	-1.007276
"900641"	169.050624	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-H"	-1.007276
"49181"	356.135071	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M-2H+NH4"	16.019271
"489472"	526.192971	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M-2H+NH4"	16.019271
"864964"	186.077171	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-2H+NH4"	16.019271
"36998"	361.090466	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M-2H+Na"	20.974666
"472548"	531.148366	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M-2H+Na"	20.974666
"848963"	191.032566	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-2H+Na"	20.974666
"1618516"	191.032566	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Na-2H"	20.974666
"94952"	187.038963	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M-H+Cl"	33.962126
"542175"	272.067913	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M-H+Cl"	33.962126
"933502"	102.010013	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-H+Cl"	33.962126
"274244"	375.085202	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+Cl"	34.969402
"668859"	545.143102	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+Cl"	34.969402
"1279076"	205.027302	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Cl"	34.969402
"29288"	377.064406	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M-2H+K"	36.948606
"466661"	547.122306	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M-2H+K"	36.948606
"846650"	207.006506	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-2H+K"	36.948606
"1564670"	207.006506	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+K-2H"	36.948606
"953647"	215.056094	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-H+HCOOH"	44.998194
"374056"	385.114001	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+HCOOH-H"	44.998201
"360127"	399.129651	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+Hac-H"	59.013851
"1498019"	229.071751	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Hac-H"	59.013851
"964469"	237.038051	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-H+NaCOOH"	66.980151
"119936"	205.027302	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+2Cl"	69.938804
"560590"	290.056252	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+2Cl"	69.938804
"1031578"	119.998352	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2Cl"	69.938804
"1254437"	248.976785	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Br"	78.918885
"1317979"	251.032772	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Cl+HCOOH"	80.974872
"1326726"	273.014729	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Cl+NaCOOH"	102.956829
"916688"	283.043486	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M-H+CF3COOH"	112.985586
"1291575"	319.020164	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Cl+CF3COOH"	148.962264
"1372655"	135.045224	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H-2H2O"	-35.012676
"1385776"	153.0552	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H-H2O"	-17.0027
"288742"	341.123076	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+H"	1.007276
"677882"	511.180976	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+H"	1.007276
"1351798"	171.065176	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H"	1.007276
"127119"	171.065176	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+2H"	2.014552
"567771"	256.094126	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+2H"	2.014552
"1038150"	86.036226	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2H"	2.014552
"204342"	114.379209333333	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+3H"	3.021828
"653894"	171.065176	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+3H"	3.021828
"1175662"	57.6932426666667	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+3H"	3.021828
"434194"	358.149623	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+NH4"	18.033823
"798106"	528.207523	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+NH4"	18.033823
"1688240"	188.091723	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+NH4"	18.033823
"341988"	179.5784495	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+H+NH4"	19.041099
"734408"	264.6073995	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+H+NH4"	19.041099
"1487135"	94.5494995	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H+NH4"	19.041099
"404722"	363.105018	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+Na"	22.989218
"767904"	533.162918	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+Na"	22.989218
"1616002"	193.047118	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Na"	22.989218
"320571"	182.056147	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+H+Na"	23.996494
"721742"	267.085097	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+H+Na"	23.996494
"1474109"	97.027197	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H+Na"	23.996494
"1065526"	65.0205566666667	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2H+Na"	25.00377
"1267204"	203.091386	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+CH3OH+H"	33.033486
"380311"	379.078958	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+K"	38.963158
"745681"	549.136858	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+K"	38.963158
"1545547"	209.021058	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+K"	38.963158
"302724"	190.043117	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+H+K"	39.970434
"694049"	275.072067	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+H+K"	39.970434
"1453347"	105.014167	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H+K"	39.970434
"239032"	382.149626	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+ACN+H"	42.033826
"1225585"	212.091726	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+ACN+H"	42.033826
"1209863"	106.549501	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+ACN+2H"	43.041102
"203331"	385.08696	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+2Na-H"	44.97116
"643954"	555.14486	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+2Na-H"	44.97116
"1144701"	215.02906	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2Na-H"	44.97116
"187871"	193.047118	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+2Na"	45.978436
"625727"	278.076068	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+2Na"	45.978436
"1126316"	108.018168	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2Na"	45.978436
"1412027"	72.3478706666667	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H+2Na"	46.985712
"1443047"	217.070646	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H+HCOOH"	47.012746
"225087"	198.08014	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+3H2O+2H"	56.04448
"1515337"	231.12269	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+IsoProp+H"	61.06479
"415021"	201.034088	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+Na+K"	61.952376
"774558"	286.063038	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+Na+K"	61.952376
"1669799"	116.005138	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Na+K"	61.952376
"255589"	404.131568	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+ACN+Na"	64.015768
"1230852"	234.073668	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+ACN+Na"	64.015768
"1715728"	234.097193	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+NH4+HCOOH"	64.039293
"1181083"	79.6751846666667	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+3Na"	68.967654
"1654622"	239.052588	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Na+HCOOH"	68.994688
"163671"	417.03484	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+2K-H"	76.91904
"599217"	587.09274	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+2K-H"	76.91904
"1085310"	246.97694	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2K-H"	76.91904
"155140"	209.021058	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"2M+2K"	77.926316
"592146"	294.050008	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"3M+2K"	77.926316
"1083221"	123.992108	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2K"	77.926316
"1109502"	248.991492	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2K+H"	78.933592
"1344793"	249.079107	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+DMSO+H"	79.021207
"1012229"	253.118276	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2ACN+H"	83.060376
"1532541"	254.111908	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+IsoProp+Na+H"	84.054008
"1002271"	127.062776	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+2ACN+2H"	84.067652
"1596774"	255.026528	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+K+HCOOH"	84.968628
"1421341"	285.058038	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+H+CF3COOH"	115.000138
"1158188"	147.576051	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+3ACN+2H"	125.094202
"1702274"	302.084585	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+NH4+CF3COOH"	132.026685
"1643395"	307.03998	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+Na+CF3COOH"	136.98208
"1577952"	323.01392	"C16804"	"Penicillic acid"	"C8H10O4"	"170.0579"	"M+K+CF3COOH"	152.95602
"805038"	342.0659	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M"	0
"978574"	323.04751	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-H2O-H"	-19.01839
"66817"	227.036657333333	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M-3H"	-3.021828
"505282"	341.058624	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M-3H"	-3.021828
"892925"	113.014690666667	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-3H"	-3.021828
"7126"	341.058624	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M-2H"	-2.014552
"443405"	512.091574	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M-2H"	-2.014552
"820478"	170.025674	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-2H"	-2.014552
"80105"	683.124524	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M-H"	-1.007276
"521124"	1025.190424	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M-H"	-1.007276
"902937"	341.058624	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-H"	-1.007276
"48317"	700.151071	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M-2H+NH4"	16.019271
"489218"	1042.216971	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M-2H+NH4"	16.019271
"864338"	358.085171	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-2H+NH4"	16.019271
"37108"	705.106466	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M-2H+Na"	20.974666
"472171"	1047.172366	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M-2H+Na"	20.974666
"848655"	363.040566	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-2H+Na"	20.974666
"1618614"	363.040566	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Na-2H"	20.974666
"96156"	359.046963	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M-H+Cl"	33.962126
"541189"	530.079913	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M-H+Cl"	33.962126
"932516"	188.014013	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-H+Cl"	33.962126
"272167"	719.101202	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+Cl"	34.969402
"662403"	1061.167102	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+Cl"	34.969402
"1276996"	377.035302	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Cl"	34.969402
"19554"	721.080406	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M-2H+K"	36.948606
"460211"	1063.146306	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M-2H+K"	36.948606
"839105"	379.014506	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-2H+K"	36.948606
"1556881"	379.014506	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+K-2H"	36.948606
"949382"	387.064094	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-H+HCOOH"	44.998194
"375255"	729.130001	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+HCOOH-H"	44.998201
"359869"	743.145651	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+Hac-H"	59.013851
"1498129"	401.079751	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Hac-H"	59.013851
"964579"	409.046051	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-H+NaCOOH"	66.980151
"120046"	377.035302	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+2Cl"	69.938804
"560700"	548.068252	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+2Cl"	69.938804
"1031688"	206.002352	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2Cl"	69.938804
"1255276"	420.984785	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Br"	78.918885
"1317725"	423.040772	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Cl+HCOOH"	80.974872
"1326836"	445.022729	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Cl+NaCOOH"	102.956829
"916798"	455.051486	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M-H+CF3COOH"	112.985586
"1292414"	491.028164	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Cl+CF3COOH"	148.962264
"1372765"	307.053224	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H-2H2O"	-35.012676
"1386979"	325.0632	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H-H2O"	-17.0027
"289945"	685.139076	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+H"	1.007276
"676899"	1027.204976	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+H"	1.007276
"1353246"	343.073176	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H"	1.007276
"129414"	343.073176	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+2H"	2.014552
"567030"	514.106126	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+2H"	2.014552
"1037286"	172.040226	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2H"	2.014552
"205188"	229.051209333333	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+3H"	3.021828
"652910"	343.073176	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+3H"	3.021828
"1175043"	115.029242666667	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+3H"	3.021828
"434304"	702.165623	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+NH4"	18.033823
"795300"	1044.231523	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+NH4"	18.033823
"1688350"	360.099723	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+NH4"	18.033823
"339912"	351.5864495	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+H+NH4"	19.041099
"734518"	522.6193995	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+H+NH4"	19.041099
"1486151"	180.5534995	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H+NH4"	19.041099
"402645"	707.121018	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+Na"	22.989218
"768014"	1049.186918	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+Na"	22.989218
"1613925"	365.055118	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Na"	22.989218
"320681"	354.064147	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+H+Na"	23.996494
"720396"	525.097097	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+H+Na"	23.996494
"1472761"	183.031197	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H+Na"	23.996494
"1064543"	122.356556666667	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2H+Na"	25.00377
"1266221"	375.099386	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+CH3OH+H"	33.033486
"382608"	723.094958	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+K"	38.963158
"739958"	1065.160858	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+K"	38.963158
"1543471"	381.029058	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+K"	38.963158
"301739"	362.051117	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+H+K"	39.970434
"696346"	533.084067	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+H+K"	39.970434
"1454550"	191.018167	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H+K"	39.970434
"240964"	726.165626	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+ACN+H"	42.033826
"1225230"	384.099726	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+ACN+H"	42.033826
"1209646"	192.553501	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+ACN+2H"	43.041102
"199189"	729.10296	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+2Na-H"	44.97116
"643616"	1071.16886	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+2Na-H"	44.97116
"1144447"	387.03706	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2Na-H"	44.97116
"186646"	365.055118	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+2Na"	45.978436
"620733"	536.088068	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+2Na"	45.978436
"1124239"	194.022168	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2Na"	45.978436
"1409221"	129.683870666667	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H+2Na"	46.985712
"1440970"	389.078646	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H+HCOOH"	47.012746
"225925"	370.08814	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+3H2O+2H"	56.04448
"1515447"	403.13069	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+IsoProp+H"	61.06479
"414403"	373.042088	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+Na+K"	61.952376
"775032"	544.075038	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+Na+K"	61.952376
"1670636"	202.009138	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Na+K"	61.952376
"256426"	748.147568	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+ACN+Na"	64.015768
"1229502"	406.081668	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+ACN+Na"	64.015768
"1717297"	406.105193	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+NH4+HCOOH"	64.039293
"1181920"	137.011184666667	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+3Na"	68.967654
"1655826"	411.060588	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Na+HCOOH"	68.994688
"159407"	761.05084	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+2K-H"	76.91904
"597502"	1103.11674	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+2K-H"	76.91904
"1084403"	418.98494	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2K-H"	76.91904
"156589"	381.029058	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"2M+2K"	77.926316
"592984"	552.062008	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"3M+2K"	77.926316
"1083576"	209.996108	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2K"	77.926316
"1113987"	420.999492	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2K+H"	78.933592
"1344903"	421.087107	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+DMSO+H"	79.021207
"1014525"	425.126276	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2ACN+H"	83.060376
"1533744"	426.119908	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+IsoProp+Na+H"	84.054008
"1002381"	213.066776	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+2ACN+2H"	84.067652
"1596884"	427.034528	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+K+HCOOH"	84.968628
"1421451"	457.066038	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+H+CF3COOH"	115.000138
"1158298"	233.580051	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+3ACN+2H"	125.094202
"1705664"	474.092585	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+NH4+CF3COOH"	132.026685
"1646785"	479.04798	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+Na+CF3COOH"	136.98208
"1578062"	495.02192	"C16805"	"Coumachlor"	"C19H15ClO4"	"342.0659"	"M+K+CF3COOH"	152.95602
"802596"	292.1099	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M"	0
"985245"	273.09151	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-H2O-H"	-19.01839
"74581"	193.732657333333	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M-3H"	-3.021828
"514141"	291.102624	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M-3H"	-3.021828
"894130"	96.3626906666667	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-3H"	-3.021828
"12704"	291.102624	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M-2H"	-2.014552
"444609"	437.157574	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M-2H"	-2.014552
"819495"	145.047674	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-2H"	-2.014552
"85683"	583.212524	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M-H"	-1.007276
"524150"	875.322424	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M-H"	-1.007276
"907422"	291.102624	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-H"	-1.007276
"49403"	600.239071	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M-2H+NH4"	16.019271
"492609"	892.348971	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M-2H+NH4"	16.019271
"867130"	308.129171	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-2H+NH4"	16.019271
"37218"	605.194466	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M-2H+Na"	20.974666
"477873"	897.304366	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M-2H+Na"	20.974666
"849152"	313.084566	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-2H+Na"	20.974666
"1619007"	313.084566	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Na-2H"	20.974666
"95902"	309.090963	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M-H+Cl"	33.962126
"543486"	455.145913	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M-H+Cl"	33.962126
"931533"	163.036013	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-H+Cl"	33.962126
"273370"	619.189202	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+Cl"	34.969402
"666888"	911.299102	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+Cl"	34.969402
"1281480"	327.079302	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Cl"	34.969402
"20758"	621.168406	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M-2H+K"	36.948606
"458496"	913.278306	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M-2H+K"	36.948606
"835934"	329.058506	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-2H+K"	36.948606
"1556870"	329.058506	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+K-2H"	36.948606
"946212"	337.108094	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-H+HCOOH"	44.998194
"363335"	629.218001	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+HCOOH-H"	44.998201
"358154"	643.233651	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+Hac-H"	59.013851
"1498239"	351.123751	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Hac-H"	59.013851
"964689"	359.090051	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-H+NaCOOH"	66.980151
"120156"	327.079302	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+2Cl"	69.938804
"558624"	473.134252	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+2Cl"	69.938804
"1033985"	181.024352	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2Cl"	69.938804
"1254657"	371.028785	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Br"	78.918885
"1319376"	373.084772	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Cl+HCOOH"	80.974872
"1326946"	395.066729	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Cl+NaCOOH"	102.956829
"915815"	405.095486	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M-H+CF3COOH"	112.985586
"1291429"	441.072164	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Cl+CF3COOH"	148.962264
"1368857"	257.097224	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H-2H2O"	-35.012676
"1385259"	275.1072	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H-H2O"	-17.0027
"284584"	585.227076	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+H"	1.007276
"677370"	877.336976	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+H"	1.007276
"1351898"	293.117176	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H"	1.007276
"127701"	293.117176	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+2H"	2.014552
"566896"	439.172126	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+2H"	2.014552
"1037121"	147.062226	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2H"	2.014552
"204689"	195.747209333333	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+3H"	3.021828
"657391"	293.117176	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+3H"	3.021828
"1176609"	98.3772426666667	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+3H"	3.021828
"434414"	602.253623	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+NH4"	18.033823
"792856"	894.363523	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+NH4"	18.033823
"1689549"	310.143723	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+NH4"	18.033823
"345003"	301.6304495	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+H+NH4"	19.041099
"729160"	447.6853995	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+H+NH4"	19.041099
"1485167"	155.5754995	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H+NH4"	19.041099
"402754"	607.209018	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+Na"	22.989218
"768124"	899.318918	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+Na"	22.989218
"1614035"	315.099118	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Na"	22.989218
"321884"	304.108147	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+H+Na"	23.996494
"721721"	450.163097	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+H+Na"	23.996494
"1473963"	158.053197	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H+Na"	23.996494
"1061373"	105.704556666667	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2H+Na"	25.00377
"1264144"	325.143386	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+CH3OH+H"	33.033486
"380531"	623.182958	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+K"	38.963158
"742619"	915.292858	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+K"	38.963158
"1549048"	331.073058	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+K"	38.963158
"305131"	312.095117	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+H+K"	39.970434
"696459"	458.150067	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+H+K"	39.970434
"1454660"	166.040167	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H+K"	39.970434
"241074"	626.253626	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+ACN+H"	42.033826
"1223876"	334.143726	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+ACN+H"	42.033826
"1208491"	167.575501	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+ACN+2H"	43.041102
"204125"	629.19096	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+2Na-H"	44.97116
"642514"	921.30086	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+2Na-H"	44.97116
"1145286"	337.08106	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2Na-H"	44.97116
"186033"	315.099118	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+2Na"	45.978436
"623031"	461.154068	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+2Na"	45.978436
"1125442"	169.044168	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2Na"	45.978436
"1411154"	113.031870666667	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H+2Na"	46.985712
"1442540"	339.122646	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H+HCOOH"	47.012746
"228589"	320.13214	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+3H2O+2H"	56.04448
"1517744"	353.17469	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+IsoProp+H"	61.06479
"414149"	323.086088	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+Na+K"	61.952376
"774781"	469.141038	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+Na+K"	61.952376
"1670747"	177.031138	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Na+K"	61.952376
"255811"	648.235568	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+ACN+Na"	64.015768
"1230708"	356.125668	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+ACN+Na"	64.015768
"1720687"	356.149193	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+NH4+HCOOH"	64.039293
"1188230"	120.359184666667	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+3Na"	68.967654
"1658122"	361.104588	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Na+HCOOH"	68.994688
"164984"	661.13884	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+2K-H"	76.91904
"597409"	953.24874	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+2K-H"	76.91904
"1084675"	369.02894	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2K-H"	76.91904
"156579"	331.073058	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"2M+2K"	77.926316
"593094"	477.128008	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"3M+2K"	77.926316
"1082953"	185.018108	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2K"	77.926316
"1107535"	371.043492	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2K+H"	78.933592
"1337359"	371.131107	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+DMSO+H"	79.021207
"1007344"	375.170276	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2ACN+H"	83.060376
"1531667"	376.163908	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+IsoProp+Na+H"	84.054008
"995930"	188.088776	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+2ACN+2H"	84.067652
"1592618"	377.078528	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+K+HCOOH"	84.968628
"1421559"	407.110038	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+H+CF3COOH"	115.000138
"1158407"	208.602051	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+3ACN+2H"	125.094202
"1701399"	424.136585	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+NH4+CF3COOH"	132.026685
"1643615"	429.09198	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+Na+CF3COOH"	136.98208
"1578172"	445.06592	"C16806"	"Coumatetralyl"	"C19H16O3"	"292.1099"	"M+K+CF3COOH"	152.95602
"801978"	444.1725	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M"	0
"985353"	425.15411	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-H2O-H"	-19.01839
"78054"	295.107724	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M-3H"	-3.021828
"517655"	443.165224	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M-3H"	-3.021828
"893148"	147.050224	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-3H"	-3.021828
"14640"	443.165224	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M-2H"	-2.014552
"451280"	665.251474	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M-2H"	-2.014552
"823614"	221.078974	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-2H"	-2.014552
"82513"	887.337724	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M-H"	-1.007276
"522437"	1331.510224	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M-H"	-1.007276
"903158"	443.165224	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-H"	-1.007276
"49027"	904.364271	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M-2H+NH4"	16.019271
"492719"	1348.536771	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M-2H+NH4"	16.019271
"867240"	460.191771	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-2H+NH4"	16.019271
"36235"	909.319666	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M-2H+Na"	20.974666
"477983"	1353.492166	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M-2H+Na"	20.974666
"849097"	465.147166	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-2H+Na"	20.974666
"1619480"	465.147166	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Na-2H"	20.974666
"96737"	461.153563	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M-H+Cl"	33.962126
"541774"	683.239813	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M-H+Cl"	33.962126
"931643"	239.067313	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-H+Cl"	33.962126
"273480"	923.314402	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+Cl"	34.969402
"661893"	1367.486902	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+Cl"	34.969402
"1277214"	479.141902	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Cl"	34.969402
"17951"	925.293606	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M-2H+K"	36.948606
"460429"	1369.466106	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M-2H+K"	36.948606
"836045"	481.121106	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-2H+K"	36.948606
"1558439"	481.121106	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+K-2H"	36.948606
"946322"	489.170694	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-H+HCOOH"	44.998194
"363445"	933.343201	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+HCOOH-H"	44.998201
"353891"	947.358851	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+Hac-H"	59.013851
"1500539"	503.186351	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Hac-H"	59.013851
"971361"	511.152651	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-H+NaCOOH"	66.980151
"123548"	479.141902	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+2Cl"	69.938804
"558734"	701.228152	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+2Cl"	69.938804
"1033002"	257.055652	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2Cl"	69.938804
"1253674"	523.091385	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Br"	78.918885
"1317946"	525.147372	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Cl+HCOOH"	80.974872
"1327056"	547.129329	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Cl+NaCOOH"	102.956829
"914832"	557.158086	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M-H+CF3COOH"	112.985586
"1291539"	593.134764	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Cl+CF3COOH"	148.962264
"1367875"	409.159824	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H-2H2O"	-35.012676
"1384275"	427.1698	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H-H2O"	-17.0027
"284330"	889.352276	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+H"	1.007276
"676748"	1333.524776	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+H"	1.007276
"1352730"	445.179776	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H"	1.007276
"126475"	445.179776	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+2H"	2.014552
"566277"	667.266026	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+2H"	2.014552
"1037746"	223.093526	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2H"	2.014552
"204511"	297.122276	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+3H"	3.021828
"657501"	445.179776	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+3H"	3.021828
"1175626"	149.064776	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+3H"	3.021828
"433431"	906.378823	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+NH4"	18.033823
"792237"	1350.551323	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+NH4"	18.033823
"1688566"	462.206323	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+NH4"	18.033823
"335750"	453.6930495	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+H+NH4"	19.041099
"729270"	675.7792995	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+H+NH4"	19.041099
"1481995"	231.6067995	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H+NH4"	19.041099
"398488"	911.334218	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+Na"	22.989218
"764952"	1355.506718	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+Na"	22.989218
"1611958"	467.161718	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Na"	22.989218
"324180"	456.170747	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+H+Na"	23.996494
"714415"	678.256997	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+H+Na"	23.996494
"1470423"	234.084497	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H+Na"	23.996494
"1060389"	156.39209	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2H+Na"	25.00377
"1261337"	477.205986	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+CH3OH+H"	33.033486
"381005"	927.308158	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+K"	38.963158
"742000"	1371.480658	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+K"	38.963158
"1545875"	483.135658	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+K"	38.963158
"304147"	464.157717	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+H+K"	39.970434
"697660"	686.243967	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+H+K"	39.970434
"1454770"	242.071467	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H+K"	39.970434
"239359"	930.378826	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+ACN+H"	42.033826
"1224107"	486.206326	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+ACN+H"	42.033826
"1208481"	243.606801	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+ACN+2H"	43.041102
"203183"	933.31616	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+2Na-H"	44.97116
"642137"	1377.48866	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+2Na-H"	44.97116
"1145397"	489.14366	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2Na-H"	44.97116
"186138"	467.161718	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+2Na"	45.978436
"623140"	689.247968	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+2Na"	45.978436
"1122272"	245.075468	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2Na"	45.978436
"1410170"	163.719404	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H+2Na"	46.985712
"1440097"	491.185246	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H+HCOOH"	47.012746
"233800"	472.19474	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+3H2O+2H"	56.04448
"1518948"	505.23729	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+IsoProp+H"	61.06479
"416447"	475.148688	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+Na+K"	61.952376
"776347"	697.234938	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+Na+K"	61.952376
"1673770"	253.062438	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Na+K"	61.952376
"259196"	952.360768	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+ACN+Na"	64.015768
"1228622"	508.188268	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+ACN+Na"	64.015768
"1718609"	508.211793	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+NH4+HCOOH"	64.039293
"1186154"	171.046718	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+3Na"	68.967654
"1654952"	513.167188	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Na+HCOOH"	68.994688
"164001"	965.26404	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+2K-H"	76.91904
"597276"	1409.43654	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+2K-H"	76.91904
"1084257"	521.09154	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2K-H"	76.91904
"156205"	483.135658	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"2M+2K"	77.926316
"594297"	705.221908	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"3M+2K"	77.926316
"1083065"	261.049408	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2K"	77.926316
"1108740"	523.106092	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2K+H"	78.933592
"1340749"	523.193707	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+DMSO+H"	79.021207
"1006966"	527.232876	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2ACN+H"	83.060376
"1531777"	528.226508	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+IsoProp+Na+H"	84.054008
"996039"	264.120076	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+2ACN+2H"	84.067652
"1589448"	529.141128	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+K+HCOOH"	84.968628
"1422762"	559.172638	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+H+CF3COOH"	115.000138
"1158517"	284.633351	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+3ACN+2H"	125.094202
"1702601"	576.199185	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+NH4+CF3COOH"	132.026685
"1643725"	581.15458	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+Na+CF3COOH"	136.98208
"1578282"	597.12852	"C16807"	"Difenacoum"	"C31H24O3"	"444.1725"	"M+K+CF3COOH"	152.95602
"805368"	482.1213	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M"	0
"984370"	463.10291	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-H2O-H"	-19.01839
"76623"	320.406924	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M-3H"	-3.021828
"517642"	481.114024	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M-3H"	-3.021828
"892165"	159.699824	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-3H"	-3.021828
"11833"	481.114024	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M-2H"	-2.014552
"451390"	722.174674	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M-2H"	-2.014552
"823724"	240.053374	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-2H"	-2.014552
"92709"	963.235324	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M-H"	-1.007276
"528743"	1445.356624	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M-H"	-1.007276
"903268"	481.114024	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-H"	-1.007276
"49988"	980.261871	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M-2H+NH4"	16.019271
"492829"	1462.383171	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M-2H+NH4"	16.019271
"869537"	498.140571	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-2H+NH4"	16.019271
"36345"	985.217266	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M-2H+Na"	20.974666
"478093"	1467.338566	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M-2H+Na"	20.974666
"849088"	503.095966	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-2H+Na"	20.974666
"1619712"	503.095966	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Na-2H"	20.974666
"95998"	499.102363	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M-H+Cl"	33.962126
"542612"	740.163013	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M-H+Cl"	33.962126
"931753"	258.041713	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-H+Cl"	33.962126
"273590"	999.212002	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+Cl"	34.969402
"662732"	1481.333302	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+Cl"	34.969402
"1275137"	517.090702	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Cl"	34.969402
"19883"	1001.191206	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M-2H+K"	36.948606
"460539"	1483.312506	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M-2H+K"	36.948606
"836519"	519.069906	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-2H+K"	36.948606
"1558549"	519.069906	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+K-2H"	36.948606
"946432"	527.119494	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-H+HCOOH"	44.998194
"363068"	1009.240801	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+HCOOH-H"	44.998201
"355094"	1023.256451	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+Hac-H"	59.013851
"1501741"	541.135151	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Hac-H"	59.013851
"959925"	549.101451	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-H+NaCOOH"	66.980151
"119283"	517.090702	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+2Cl"	69.938804
"558844"	758.151352	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+2Cl"	69.938804
"1033112"	276.030052	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2Cl"	69.938804
"1253784"	561.040185	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Br"	78.918885
"1319839"	563.096172	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Cl+HCOOH"	80.974872
"1327166"	585.078129	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Cl+NaCOOH"	102.956829
"913849"	595.106886	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M-H+CF3COOH"	112.985586
"1289827"	631.083564	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Cl+CF3COOH"	148.962264
"1368348"	447.108624	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H-2H2O"	-35.012676
"1383902"	465.1186	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H-H2O"	-17.0027
"284927"	965.249876	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+H"	1.007276
"677226"	1447.371176	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+H"	1.007276
"1351995"	483.128576	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H"	1.007276
"127559"	483.128576	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+2H"	2.014552
"566873"	724.189226	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+2H"	2.014552
"1038836"	242.067926	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2H"	2.014552
"204383"	322.421476	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+3H"	3.021828
"656153"	483.128576	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+3H"	3.021828
"1172456"	161.714376	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+3H"	3.021828
"432081"	982.276423	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+NH4"	18.033823
"795630"	1464.397723	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+NH4"	18.033823
"1691958"	500.155123	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+NH4"	18.033823
"340235"	491.6418495	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+H+NH4"	19.041099
"731567"	732.7024995	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+H+NH4"	19.041099
"1484294"	250.5811995	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H+NH4"	19.041099
"398598"	987.231818	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+Na"	22.989218
"757407"	1469.353118	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+Na"	22.989218
"1603439"	505.110518	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Na"	22.989218
"317728"	494.119547	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+H+Na"	23.996494
"711243"	735.180197	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+H+Na"	23.996494
"1466158"	253.058897	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H+Na"	23.996494
"1056483"	169.04169	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2H+Na"	25.00377
"1261448"	515.154786	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+CH3OH+H"	33.033486
"377142"	1003.205758	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+K"	38.963158
"739436"	1485.327058	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+K"	38.963158
"1540517"	521.084458	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+K"	38.963158
"298601"	502.106517	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+H+K"	39.970434
"692542"	743.167167	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+H+K"	39.970434
"1447212"	261.045867	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H+K"	39.970434
"241294"	1006.276426	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+ACN+H"	42.033826
"1225073"	524.155126	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+ACN+H"	42.033826
"1209198"	262.581201	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+ACN+2H"	43.041102
"198421"	1009.21376	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+2Na-H"	44.97116
"643338"	1491.33506	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+2Na-H"	44.97116
"1145745"	527.09246	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2Na-H"	44.97116
"186606"	505.110518	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+2Na"	45.978436
"617783"	746.171168	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+2Na"	45.978436
"1121287"	264.049868	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2Na"	45.978436
"1408092"	176.369004	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H+2Na"	46.985712
"1441301"	529.134046	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H+HCOOH"	47.012746
"233182"	510.14354	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+3H2O+2H"	56.04448
"1519056"	543.18609	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+IsoProp+H"	61.06479
"417650"	513.097488	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+Na+K"	61.952376
"780830"	754.158138	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+Na+K"	61.952376
"1670964"	272.036838	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Na+K"	61.952376
"260398"	1028.258368	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+ACN+Na"	64.015768
"1228367"	546.137068	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+ACN+Na"	64.015768
"1718719"	546.160593	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+NH4+HCOOH"	64.039293
"1190274"	183.696318	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+3Na"	68.967654
"1655062"	551.115988	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Na+HCOOH"	68.994688
"165204"	1041.16164	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+2K-H"	76.91904
"597834"	1523.28294	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+2K-H"	76.91904
"1084733"	559.04034	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2K-H"	76.91904
"149379"	521.084458	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"2M+2K"	77.926316
"583470"	762.145108	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"3M+2K"	77.926316
"1070170"	280.023808	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2K"	77.926316
"1100216"	561.054892	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2K+H"	78.933592
"1336359"	561.142507	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+DMSO+H"	79.021207
"1006465"	565.181676	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2ACN+H"	83.060376
"1524715"	566.175308	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+IsoProp+Na+H"	84.054008
"996149"	283.094476	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+2ACN+2H"	84.067652
"1595025"	567.089928	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+K+HCOOH"	84.968628
"1416310"	597.121438	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+H+CF3COOH"	115.000138
"1154253"	303.607751	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+3ACN+2H"	125.094202
"1700525"	614.147985	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+NH4+CF3COOH"	132.026685
"1643835"	619.10338	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+Na+CF3COOH"	136.98208
"1581672"	635.07732	"C16808"	"Isosilybin"	"C25H22O10"	"482.1213"	"M+K+CF3COOH"	152.95602
"803291"	422.1941	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M"	0
"988852"	403.17571	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-H2O-H"	-19.01839
"73817"	280.455457333333	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M-3H"	-3.021828
"517388"	421.186824	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M-3H"	-3.021828
"893368"	139.724090666667	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-3H"	-3.021828
"12672"	421.186824	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M-2H"	-2.014552
"451500"	632.283874	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M-2H"	-2.014552
"821282"	210.089774	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-2H"	-2.014552
"91480"	843.380924	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M-H"	-1.007276
"528489"	1265.575024	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M-H"	-1.007276
"904471"	421.186824	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-H"	-1.007276
"52285"	860.407471	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M-2H+NH4"	16.019271
"495126"	1282.601571	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M-2H+NH4"	16.019271
"871834"	438.213371	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-2H+NH4"	16.019271
"37549"	865.362866	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M-2H+Na"	20.974666
"481483"	1287.556966	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M-2H+Na"	20.974666
"850656"	443.168766	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-2H+Na"	20.974666
"1619702"	443.168766	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Na-2H"	20.974666
"96596"	439.175163	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M-H+Cl"	33.962126
"535794"	650.272213	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M-H+Cl"	33.962126
"928582"	228.078113	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-H+Cl"	33.962126
"270419"	879.357602	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+Cl"	34.969402
"662841"	1301.551702	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+Cl"	34.969402
"1274153"	457.163502	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Cl"	34.969402
"18531"	881.336806	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M-2H+K"	36.948606
"460645"	1303.530906	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M-2H+K"	36.948606
"837356"	459.142706	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-2H+K"	36.948606
"1556469"	459.142706	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+K-2H"	36.948606
"946542"	467.192294	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-H+HCOOH"	44.998194
"363421"	889.386401	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+HCOOH-H"	44.998201
"356297"	903.402051	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+Hac-H"	59.013851
"1504037"	481.207951	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Hac-H"	59.013851
"960156"	489.174251	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-H+NaCOOH"	66.980151
"119393"	457.163502	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+2Cl"	69.938804
"557860"	668.260552	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+2Cl"	69.938804
"1033222"	246.066452	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2Cl"	69.938804
"1249519"	501.112985	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Br"	78.918885
"1313061"	503.168972	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Cl+HCOOH"	80.974872
"1324360"	525.150929	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Cl+NaCOOH"	102.956829
"916147"	535.179686	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M-H+CF3COOH"	112.985586
"1297229"	571.156364	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Cl+CF3COOH"	148.962264
"1367854"	387.181424	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H-2H2O"	-35.012676
"1387417"	405.1914	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H-H2O"	-17.0027
"285280"	845.395476	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+H"	1.007276
"675998"	1267.589576	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+H"	1.007276
"1351860"	423.201376	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H"	1.007276
"126940"	423.201376	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+2H"	2.014552
"565776"	634.298426	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+2H"	2.014552
"1037852"	212.104326	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2H"	2.014552
"207942"	282.470009333333	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+3H"	3.021828
"657356"	423.201376	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+3H"	3.021828
"1174751"	141.738642666667	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+3H"	3.021828
"431463"	862.422023	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+NH4"	18.033823
"792820"	1284.616123	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+NH4"	18.033823
"1687694"	440.227923	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+NH4"	18.033823
"337065"	431.7146495	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+H+NH4"	19.041099
"731677"	642.8116995	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+H+NH4"	19.041099
"1485497"	220.6175995	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H+NH4"	19.041099
"400896"	867.377418	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+Na"	22.989218
"762985"	1289.571518	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+Na"	22.989218
"1606709"	445.183318	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Na"	22.989218
"315654"	434.192347	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+H+Na"	23.996494
"711354"	645.289397	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+H+Na"	23.996494
"1468456"	223.095297	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H+Na"	23.996494
"1054775"	149.065956666667	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2H+Na"	25.00377
"1261194"	455.227586	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+CH3OH+H"	33.033486
"377619"	883.351358	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+K"	38.963158
"739669"	1305.545458	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+K"	38.963158
"1540384"	461.157258	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+K"	38.963158
"298579"	442.179317	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+H+K"	39.970434
"691558"	653.276367	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+H+K"	39.970434
"1447685"	231.082267	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H+K"	39.970434
"242497"	886.422026	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+ACN+H"	42.033826
"1225393"	464.227926	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+ACN+H"	42.033826
"1209723"	232.617601	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+ACN+2H"	43.041102
"201811"	889.35936	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+2Na-H"	44.97116
"644170"	1311.55346	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+2Na-H"	44.97116
"1146346"	467.16526	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2Na-H"	44.97116
"188174"	445.183318	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+2Na"	45.978436
"622266"	656.280368	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+2Na"	45.978436
"1123586"	234.086268	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2Na"	45.978436
"1409296"	156.393270666667	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H+2Na"	46.985712
"1442505"	469.206846	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H+HCOOH"	47.012746
"232200"	450.21634	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+3H2O+2H"	56.04448
"1522447"	483.25889	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+IsoProp+H"	61.06479
"419945"	453.170288	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+Na+K"	61.952376
"778754"	664.267338	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+Na+K"	61.952376
"1672898"	242.073238	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Na+K"	61.952376
"262695"	908.403968	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+ACN+Na"	64.015768
"1228477"	486.209868	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+ACN+Na"	64.015768
"1717734"	486.233393	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+NH4+HCOOH"	64.039293
"1189289"	163.720584666667	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+3Na"	68.967654
"1657358"	491.188788	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Na+HCOOH"	68.994688
"165314"	921.30724	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+2K-H"	76.91904
"598430"	1343.50134	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+2K-H"	76.91904
"1085129"	499.11314	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2K-H"	76.91904
"150580"	461.157258	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"2M+2K"	77.926316
"586859"	672.254308	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"3M+2K"	77.926316
"1073559"	250.060208	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2K"	77.926316
"1102394"	501.127692	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2K+H"	78.933592
"1336833"	501.215307	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+DMSO+H"	79.021207
"1006571"	505.254476	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2ACN+H"	83.060376
"1525554"	506.248108	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+IsoProp+Na+H"	84.054008
"996259"	253.130876	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+2ACN+2H"	84.067652
"1594041"	507.162728	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+K+HCOOH"	84.968628
"1416784"	537.194238	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+H+CF3COOH"	115.000138
"1154363"	273.644151	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+3ACN+2H"	125.094202
"1700635"	554.220785	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+NH4+CF3COOH"	132.026685
"1643945"	559.17618	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+Na+CF3COOH"	136.98208
"1581782"	575.15012	"C16809"	"Isovaltrate"	"C22H30O8"	"422.1941"	"M+K+CF3COOH"	152.95602
"802308"	338.1882	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M"	0
"985683"	319.16981	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-H2O-H"	-19.01839
"73927"	224.451524	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M-3H"	-3.021828
"516769"	337.180924	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M-3H"	-3.021828
"894571"	111.722124	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-3H"	-3.021828
"12053"	337.180924	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M-2H"	-2.014552
"451610"	506.275024	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M-2H"	-2.014552
"822851"	168.086824	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-2H"	-2.014552
"91590"	675.369124	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M-H"	-1.007276
"531879"	1013.557324	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M-H"	-1.007276
"904581"	337.180924	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-H"	-1.007276
"52394"	692.395671	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M-2H+NH4"	16.019271
"491956"	1030.583871	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M-2H+NH4"	16.019271
"871944"	354.207471	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-2H+NH4"	16.019271
"35472"	697.351066	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M-2H+Na"	20.974666
"478313"	1035.539266	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M-2H+Na"	20.974666
"850280"	359.162866	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-2H+Na"	20.974666
"1619084"	359.162866	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Na-2H"	20.974666
"96706"	355.169263	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M-H+Cl"	33.962126
"534364"	524.263363	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M-H+Cl"	33.962126
"927841"	186.075163	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-H+Cl"	33.962126
"270530"	711.345802	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+Cl"	34.969402
"664046"	1049.534002	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+Cl"	34.969402
"1274263"	373.157602	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Cl"	34.969402
"16453"	713.325006	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M-2H+K"	36.948606
"459662"	1051.513206	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M-2H+K"	36.948606
"836373"	375.136806	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-2H+K"	36.948606
"1556580"	375.136806	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+K-2H"	36.948606
"946652"	383.186394	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-H+HCOOH"	44.998194
"362682"	721.374601	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+HCOOH-H"	44.998201
"355314"	735.390251	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+Hac-H"	59.013851
"1498678"	397.202051	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Hac-H"	59.013851
"959781"	405.168351	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-H+NaCOOH"	66.980151
"119503"	373.157602	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+2Cl"	69.938804
"557970"	542.251702	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+2Cl"	69.938804
"1033332"	204.063502	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2Cl"	69.938804
"1249629"	417.107085	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Br"	78.918885
"1313171"	419.163072	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Cl+HCOOH"	80.974872
"1324106"	441.145029	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Cl+NaCOOH"	102.956829
"916257"	451.173786	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M-H+CF3COOH"	112.985586
"1297339"	487.150464	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Cl+CF3COOH"	148.962264
"1368571"	303.175524	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H-2H2O"	-35.012676
"1387527"	321.1855	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H-H2O"	-17.0027
"285026"	677.383676	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+H"	1.007276
"678539"	1015.571876	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+H"	1.007276
"1353427"	339.195476	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H"	1.007276
"127410"	339.195476	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+2H"	2.014552
"565726"	508.289576	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+2H"	2.014552
"1037591"	170.101376	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2H"	2.014552
"205003"	226.466076	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+3H"	3.021828
"659046"	339.195476	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+3H"	3.021828
"1176683"	113.736676	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+3H"	3.021828
"433759"	694.410223	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+NH4"	18.033823
"792566"	1032.598423	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+NH4"	18.033823
"1686710"	356.222023	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+NH4"	18.033823
"337175"	347.7087495	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+H+NH4"	19.041099
"729600"	516.8028495	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+H+NH4"	19.041099
"1484514"	178.6146495	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H+NH4"	19.041099
"399913"	699.365618	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+Na"	22.989218
"764189"	1037.553818	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+Na"	22.989218
"1606819"	361.177418	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Na"	22.989218
"317950"	350.186447	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+H+Na"	23.996494
"714744"	519.280547	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+H+Na"	23.996494
"1469660"	181.092347	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H+Na"	23.996494
"1055250"	121.06399	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2H+Na"	25.00377
"1261304"	371.221686	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+CH3OH+H"	33.033486
"377365"	715.339558	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+K"	38.963158
"739779"	1053.527758	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+K"	38.963158
"1540251"	377.151358	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+K"	38.963158
"298756"	358.173417	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+H+K"	39.970434
"691580"	527.267517	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+H+K"	39.970434
"1446701"	189.079317	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H+K"	39.970434
"241513"	718.410226	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+ACN+H"	42.033826
"1225527"	380.222026	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+ACN+H"	42.033826
"1209747"	190.614651	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+ACN+2H"	43.041102
"202893"	721.34756	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+2Na-H"	44.97116
"643549"	1059.53576	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+2Na-H"	44.97116
"1147045"	383.15936	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2Na-H"	44.97116
"188498"	361.177418	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+2Na"	45.978436
"627114"	530.271518	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+2Na"	45.978436
"1130943"	192.083318	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2Na"	45.978436
"1410135"	128.391304	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H+2Na"	46.985712
"1440427"	385.200946	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H+HCOOH"	47.012746
"232310"	366.21044	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+3H2O+2H"	56.04448
"1519277"	399.25299	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+IsoProp+H"	61.06479
"422242"	369.164388	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+Na+K"	61.952376
"781051"	538.258488	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+Na+K"	61.952376
"1671915"	200.070288	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Na+K"	61.952376
"260619"	740.392168	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+ACN+Na"	64.015768
"1226400"	402.203968	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+ACN+Na"	64.015768
"1717844"	402.227493	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+NH4+HCOOH"	64.039293
"1187577"	135.718618	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+3Na"	68.967654
"1657468"	407.182888	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Na+HCOOH"	68.994688
"162144"	753.29544	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+2K-H"	76.91904
"597447"	1091.48364	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+2K-H"	76.91904
"1084997"	415.10724	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2K-H"	76.91904
"150690"	377.151358	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"2M+2K"	77.926316
"583689"	546.245458	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"3M+2K"	77.926316
"1072576"	208.057258	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2K"	77.926316
"1101774"	417.121792	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2K+H"	78.933592
"1338159"	417.209407	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+DMSO+H"	79.021207
"1007171"	421.248576	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2ACN+H"	83.060376
"1525178"	422.242208	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+IsoProp+Na+H"	84.054008
"994181"	211.127926	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+2ACN+2H"	84.067652
"1591235"	423.156828	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+K+HCOOH"	84.968628
"1417623"	453.188338	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+H+CF3COOH"	115.000138
"1149734"	231.641201	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+3ACN+2H"	125.094202
"1697827"	470.214885	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+NH4+CF3COOH"	132.026685
"1644055"	475.17028	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+Na+CF3COOH"	136.98208
"1581892"	491.14422	"C16810"	"Bioresmethrin"	"C22H26O3"	"338.1882"	"M+K+CF3COOH"	152.95602
"802418"	218.0579	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M"	0
"985793"	199.03951	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-H2O-H"	-19.01839
"73673"	144.364657333333	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M-3H"	-3.021828
"515784"	217.050624	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M-3H"	-3.021828
"891401"	71.6786906666667	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-3H"	-3.021828
"8883"	217.050624	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M-2H"	-2.014552
"448440"	326.079574	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M-2H"	-2.014552
"826241"	108.021674	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-2H"	-2.014552
"93161"	435.108524	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M-H"	-1.007276
"531626"	653.166424	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M-H"	-1.007276
"905784"	217.050624	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-H"	-1.007276
"53598"	452.135071	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M-2H+NH4"	16.019271
"495346"	670.192971	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M-2H+NH4"	16.019271
"872054"	234.077171	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-2H+NH4"	16.019271
"37767"	457.090466	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M-2H+Na"	20.974666
"480608"	675.148366	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M-2H+Na"	20.974666
"855128"	239.032566	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-2H+Na"	20.974666
"1624661"	239.032566	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Na-2H"	20.974666
"101190"	235.038963	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M-H+Cl"	33.962126
"541844"	344.067913	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M-H+Cl"	33.962126
"933173"	126.010013	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-H+Cl"	33.962126
"273187"	471.085202	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+Cl"	34.969402
"664520"	689.143102	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+Cl"	34.969402
"1275464"	253.027302	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Cl"	34.969402
"21303"	473.064406	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M-2H+K"	36.948606
"458679"	691.122306	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M-2H+K"	36.948606
"835390"	255.006506	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-2H+K"	36.948606
"1556690"	255.006506	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+K-2H"	36.948606
"946762"	263.056094	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-H+HCOOH"	44.998194
"366072"	481.114001	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+HCOOH-H"	44.998201
"357612"	495.129651	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+Hac-H"	59.013851
"1498788"	277.071751	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Hac-H"	59.013851
"963050"	285.038051	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-H+NaCOOH"	66.980151
"124353"	253.027302	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+2Cl"	69.938804
"564646"	362.056252	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+2Cl"	69.938804
"1033442"	143.998352	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2Cl"	69.938804
"1249739"	296.976785	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Br"	78.918885
"1313281"	299.032772	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Cl+HCOOH"	80.974872
"1324216"	321.014729	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Cl+NaCOOH"	102.956829
"919647"	331.043486	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M-H+CF3COOH"	112.985586
"1300729"	367.020164	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Cl+CF3COOH"	148.962264
"1368317"	183.045224	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H-2H2O"	-35.012676
"1389824"	201.0552	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H-H2O"	-17.0027
"285136"	437.123076	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+H"	1.007276
"679014"	655.180976	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+H"	1.007276
"1353901"	219.065176	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H"	1.007276
"127522"	219.065176	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+2H"	2.014552
"568178"	328.094126	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+2H"	2.014552
"1041716"	110.036226	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2H"	2.014552
"205970"	146.379209333333	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+3H"	3.021828
"658547"	219.065176	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+3H"	3.021828
"1177037"	73.6932426666667	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+3H"	3.021828
"436057"	454.149623	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+NH4"	18.033823
"794863"	672.207523	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+NH4"	18.033823
"1692285"	236.091723	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+NH4"	18.033823
"340565"	227.5784495	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+H+NH4"	19.041099
"734084"	336.6073995	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+H+NH4"	19.041099
"1485717"	118.5494995	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H+NH4"	19.041099
"404397"	459.105018	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+Na"	22.989218
"766122"	677.162918	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+Na"	22.989218
"1614220"	241.047118	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Na"	22.989218
"321341"	230.056147	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+H+Na"	23.996494
"713761"	339.085097	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+H+Na"	23.996494
"1473050"	121.027197	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H+Na"	23.996494
"1059734"	81.0205566666667	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2H+Na"	25.00377
"1263601"	251.091386	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+CH3OH+H"	33.033486
"381082"	475.078958	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+K"	38.963158
"743171"	693.136858	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+K"	38.963158
"1545224"	257.021058	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+K"	38.963158
"306775"	238.043117	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+H+K"	39.970434
"700287"	347.072067	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+H+K"	39.970434
"1449732"	129.014167	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H+K"	39.970434
"242716"	478.149626	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+ACN+H"	42.033826
"1225036"	260.091726	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+ACN+H"	42.033826
"1209881"	130.549501	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+ACN+2H"	43.041102
"203492"	481.08696	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+2Na-H"	44.97116
"643418"	699.14486	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+2Na-H"	44.97116
"1146197"	263.02906	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2Na-H"	44.97116
"186934"	241.047118	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+2Na"	45.978436
"627226"	350.076068	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+2Na"	45.978436
"1129273"	132.018168	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2Na"	45.978436
"1407695"	88.3478706666667	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H+2Na"	46.985712
"1442726"	265.070646	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H+HCOOH"	47.012746
"228412"	246.08014	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+3H2O+2H"	56.04448
"1518297"	279.12269	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+IsoProp+H"	61.06479
"419804"	249.034088	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+Na+K"	61.952376
"780066"	358.063038	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+Na+K"	61.952376
"1675670"	140.005138	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Na+K"	61.952376
"255990"	500.131568	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+ACN+Na"	64.015768
"1228334"	282.073668	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+ACN+Na"	64.015768
"1717953"	282.097193	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+NH4+HCOOH"	64.039293
"1188053"	95.6751846666667	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+3Na"	68.967654
"1656484"	287.052588	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Na+HCOOH"	68.994688
"161161"	513.03484	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+2K-H"	76.91904
"599626"	731.09274	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+2K-H"	76.91904
"1086325"	294.97694	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2K-H"	76.91904
"148613"	257.021058	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"2M+2K"	77.926316
"581972"	366.050008	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"3M+2K"	77.926316
"1069526"	147.992108	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2K"	77.926316
"1101033"	296.991492	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2K+H"	78.933592
"1336071"	297.079107	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+DMSO+H"	79.021207
"1006061"	301.118276	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2ACN+H"	83.060376
"1524680"	302.111908	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+IsoProp+Na+H"	84.054008
"991739"	151.062776	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+2ACN+2H"	84.067652
"1589159"	303.026528	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+K+HCOOH"	84.968628
"1416639"	333.058038	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+H+CF3COOH"	115.000138
"1147285"	171.576051	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+3ACN+2H"	125.094202
"1697327"	350.084585	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+NH4+CF3COOH"	132.026685
"1644165"	355.03998	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+Na+CF3COOH"	136.98208
"1582002"	371.01392	"C16811"	"Baldrinal"	"C12H10O4"	"218.0579"	"M+K+CF3COOH"	152.95602
"805808"	260.1049	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M"	0
"984809"	241.08651	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-H2O-H"	-19.01839
"76335"	172.395990666667	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M-3H"	-3.021828
"516625"	259.097624	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M-3H"	-3.021828
"891512"	85.6943573333333	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-3H"	-3.021828
"11180"	259.097624	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M-2H"	-2.014552
"448551"	389.150074	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M-2H"	-2.014552
"828540"	129.045174	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-2H"	-2.014552
"89625"	519.202524	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M-H"	-1.007276
"531372"	779.307424	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M-H"	-1.007276
"905894"	259.097624	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-H"	-1.007276
"52615"	536.229071	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M-2H+NH4"	16.019271
"497643"	796.333971	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M-2H+NH4"	16.019271
"869248"	276.124171	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-2H+NH4"	16.019271
"38970"	541.184466	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M-2H+Na"	20.974666
"479623"	801.289366	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M-2H+Na"	20.974666
"853416"	281.079566	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-2H+Na"	20.974666
"1625865"	281.079566	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Na-2H"	20.974666
"101301"	277.085963	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M-H+Cl"	33.962126
"541952"	407.138413	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M-H+Cl"	33.962126
"932190"	147.033513	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-H+Cl"	33.962126
"270751"	555.179202	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+Cl"	34.969402
"663174"	815.284102	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+Cl"	34.969402
"1273751"	295.074302	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Cl"	34.969402
"17159"	557.158406	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M-2H+K"	36.948606
"457697"	817.263306	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M-2H+K"	36.948606
"835500"	297.053506	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-2H+K"	36.948606
"1555635"	297.053506	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+K-2H"	36.948606
"946872"	305.103094	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-H+HCOOH"	44.998194
"366182"	565.208001	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+HCOOH-H"	44.998201
"357359"	579.223651	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+Hac-H"	59.013851
"1497805"	319.118751	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Hac-H"	59.013851
"963160"	327.085051	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-H+NaCOOH"	66.980151
"123006"	295.074302	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+2Cl"	69.938804
"564028"	425.126752	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+2Cl"	69.938804
"1032459"	165.021852	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2Cl"	69.938804
"1253131"	339.023785	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Br"	78.918885
"1311205"	341.079772	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Cl+HCOOH"	80.974872
"1327606"	363.061729	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Cl+NaCOOH"	102.956829
"919757"	373.090486	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M-H+CF3COOH"	112.985586
"1299746"	409.067164	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Cl+CF3COOH"	148.962264
"1369520"	225.092224	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H-2H2O"	-35.012676
"1389934"	243.1022	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H-H2O"	-17.0027
"286703"	521.217076	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+H"	1.007276
"679854"	781.321976	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+H"	1.007276
"1354379"	261.112176	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H"	1.007276
"128726"	261.112176	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+2H"	2.014552
"569746"	391.164626	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+2H"	2.014552
"1042920"	131.059726	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2H"	2.014552
"209361"	174.410542666667	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+3H"	3.021828
"651487"	261.112176	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+3H"	3.021828
"1177270"	87.7089093333333	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+3H"	3.021828
"437261"	538.243623	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+NH4"	18.033823
"793881"	798.348523	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+NH4"	18.033823
"1688022"	278.138723	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+NH4"	18.033823
"340675"	269.6254495	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+H+NH4"	19.041099
"734190"	399.6778995	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+H+NH4"	19.041099
"1485827"	139.5729995	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H+NH4"	19.041099
"397946"	543.199018	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+Na"	22.989218
"765139"	803.303918	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+Na"	22.989218
"1613601"	283.094118	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Na"	22.989218
"320356"	272.103147	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+H+Na"	23.996494
"713870"	402.155597	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+H+Na"	23.996494
"1472067"	142.050697	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H+Na"	23.996494
"1056565"	95.0362233333333	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2H+Na"	25.00377
"1262619"	293.138386	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+CH3OH+H"	33.033486
"380099"	559.172958	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+K"	38.963158
"742188"	819.277858	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+K"	38.963158
"1544241"	299.068058	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+K"	38.963158
"305793"	280.090117	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+H+K"	39.970434
"697120"	410.142567	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+H+K"	39.970434
"1450936"	150.037667	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H+K"	39.970434
"242826"	562.243626	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+ACN+H"	42.033826
"1225026"	302.138726	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+ACN+H"	42.033826
"1209162"	151.573001	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+ACN+2H"	43.041102
"203813"	565.18096	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+2Na-H"	44.97116
"642805"	825.28586	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+2Na-H"	44.97116
"1145583"	305.07606	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2Na-H"	44.97116
"187897"	283.094118	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+2Na"	45.978436
"627096"	413.146568	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+2Na"	45.978436
"1130112"	153.041668	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2Na"	45.978436
"1409992"	102.363537333333	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H+2Na"	46.985712
"1443930"	307.117646	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H+HCOOH"	47.012746
"231803"	288.12714	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+3H2O+2H"	56.04448
"1520593"	321.16969	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+IsoProp+H"	61.06479
"421373"	291.081088	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+Na+K"	61.952376
"781638"	421.133538	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+Na+K"	61.952376
"1675416"	161.028638	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Na+K"	61.952376
"255736"	584.225568	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+ACN+Na"	64.015768
"1227350"	324.120668	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+ACN+Na"	64.015768
"1719522"	324.144193	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+NH4+HCOOH"	64.039293
"1188160"	109.690851333333	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+3Na"	68.967654
"1658781"	329.099588	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Na+HCOOH"	68.994688
"167467"	597.12884	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+2K-H"	76.91904
"603018"	857.23374	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+2K-H"	76.91904
"1087531"	337.02394	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2K-H"	76.91904
"148723"	299.068058	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"2M+2K"	77.926316
"581961"	429.120508	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"3M+2K"	77.926316
"1070121"	169.015608	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2K"	77.926316
"1101507"	339.038492	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2K+H"	78.933592
"1336067"	339.126107	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+DMSO+H"	79.021207
"1006541"	343.165276	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2ACN+H"	83.060376
"1527953"	344.158908	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+IsoProp+Na+H"	84.054008
"993308"	172.086276	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+2ACN+2H"	84.067652
"1590361"	345.073528	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+K+HCOOH"	84.968628
"1415533"	375.105038	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+H+CF3COOH"	115.000138
"1148859"	192.599551	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+3ACN+2H"	125.094202
"1698047"	392.131585	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+NH4+CF3COOH"	132.026685
"1647555"	397.08698	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+Na+CF3COOH"	136.98208
"1578832"	413.06092	"C16812"	"Homobaldrinal"	"C15H16O4"	"260.1049"	"M+K+CF3COOH"	152.95602
"812479"	222.1984	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M"	0
"988200"	203.18001	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"75350"	147.124990666667	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"517954"	221.191124	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"893809"	73.0588573333333	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"12384"	221.191124	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"454131"	332.290324	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"828650"	110.091924	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"94154"	443.389524	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"532576"	665.587924	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"906004"	221.191124	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"61967"	460.416071	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"499941"	682.614471	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"878351"	238.217671	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"40175"	465.371466	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"480829"	687.569866	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"855349"	243.173066	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1622697"	243.173066	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"100320"	239.179463	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"540243"	350.278663	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"932301"	128.080263	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"273047"	479.366202	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"663285"	701.564602	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1276782"	257.167802	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"20431"	481.345406	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"456469"	703.543806	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"833544"	259.147006	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1557397"	259.147006	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"946982"	267.196594	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"371761"	489.395001	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"355645"	503.410651	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1503382"	281.212251	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"965458"	289.178551	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"125145"	257.167802	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"562675"	368.267002	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1033662"	146.068602	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1252148"	301.117285	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1316783"	303.173272	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1330998"	325.155229	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"924244"	335.183986	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1298764"	371.160664	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1379110"	187.185724	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1393325"	205.1957	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"293012"	445.404076	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"684341"	667.602476	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1353033"	223.205676	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H"	1.007276
"133578"	223.205676	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"570221"	334.304876	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1040479"	112.106476	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"206555"	149.139542666667	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"652687"	223.205676	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1176163"	75.0734093333333	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"438100"	462.430623	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"795085"	684.629023	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1689229"	240.232223	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"339694"	231.7189495	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"733209"	342.8181495	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1485937"	120.6197495	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"399148"	467.386018	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"760143"	689.584418	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1609335"	245.187618	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"318281"	234.196647	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"712888"	345.295847	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1471084"	123.097447	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1059955"	82.4007233333333	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1262729"	255.231886	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"390054"	483.359958	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"751048"	705.558358	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1546540"	261.161558	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+K"	38.963158
"304809"	242.183617	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"698321"	353.282817	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1447038"	131.084417	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"239657"	486.430626	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1225576"	264.232226	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1209551"	132.619751	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"203842"	489.36796	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"642916"	711.56636	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1145930"	267.16956	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"187155"	245.187618	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"627445"	356.286818	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1129125"	134.088418	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1412289"	89.7280373333333	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1444039"	269.211146	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"235195"	250.22064	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1523259"	283.26319	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"422582"	253.174588	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"784672"	364.273788	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1678444"	142.075388	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"263504"	508.412568	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1237306"	286.214168	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1724372"	286.237693	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1189366"	97.0553513333333	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1659985"	291.193088	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"169035"	521.31584	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"600941"	743.51424	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1090921"	299.11744	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"145553"	261.161558	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"582678"	372.260758	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1068687"	150.062358	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1100518"	301.131992	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1336178"	301.219607	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1006895"	305.258776	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1528063"	306.252408	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"990375"	153.133026	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1588649"	307.167028	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1416495"	337.198538	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1149699"	173.646301	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1697426"	354.225085	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1648759"	359.18048	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1578942"	375.15442	"C16813"	"Valeranone"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"802748"	204.1878	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M"	0
"982842"	185.16941	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75460"	135.117924	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"515751"	203.180524	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"891733"	67.055324	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"9213"	203.180524	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"444398"	305.274424	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"823293"	101.086624	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"88752"	407.368324	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"531591"	611.556124	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"906114"	203.180524	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"59398"	424.394871	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"501145"	628.582671	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873478"	220.207071	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"40285"	429.350266	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479846"	633.538066	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854366"	225.162466	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1621349"	225.162466	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97877"	221.168863	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538894"	323.262763	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931317"	119.074963	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"270969"	443.345002	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"660842"	647.532802	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280172"	239.157202	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30383"	445.324206	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464474"	649.512006	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"837904"	241.136406	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1560303"	241.136406	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947092"	249.185994	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371872"	453.373801	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357942"	467.389451	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499483"	263.201651	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965568"	271.167951	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"125415"	239.157202	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562785"	341.251102	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1033772"	137.063302	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252258"	283.106685	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1316893"	285.162672	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332201"	307.144629	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"922165"	317.173386	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302154"	353.150064	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1379221"	169.175124	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1393435"	187.1851	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"296402"	409.382876	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684451"	613.570676	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360799"	205.195076	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"132594"	205.195076	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"569239"	307.288976	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1042048"	103.101176	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"207397"	137.132476	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"649514"	205.195076	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1175302"	69.069876	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435293"	426.409423	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"795196"	630.597223	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692256"	222.221623	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"339804"	213.7083495	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"733319"	315.8022495	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1490059"	111.6144495	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"400353"	431.364818	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"762442"	635.552618	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611633"	227.177018	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321670"	216.186047	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"717370"	318.279947	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1474110"	114.092147	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1058972"	76.39719	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1265026"	237.221286	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"391257"	447.338758	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"750794"	651.526558	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1549930"	243.150958	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"308199"	224.173017	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"697338"	326.266917	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448244"	122.079117	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"243047"	450.409426	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225413"	246.221626	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209661"	123.614451	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"204074"	453.34676	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"644125"	657.53456	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146774"	249.15896	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187269"	227.177018	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627191"	329.270918	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129237"	125.083118	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1410205"	83.724504	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443422"	251.200546	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"229469"	232.21004	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522640"	265.25259	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"421962"	235.163988	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"784048"	337.257888	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678190"	133.070088	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"262885"	472.391368	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1235228"	268.203568	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1722659"	268.227093	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1191663"	91.051818	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661188"	273.182488	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166958"	485.29464	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"605425"	689.48244	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1091032"	281.10684	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145663"	243.150958	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582060"	345.244858	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1068757"	141.057058	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1102945"	283.121392	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336896"	283.209007	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1007249"	287.248176	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1525499"	288.241808	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"990732"	144.127726	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1588031"	289.156428	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1415877"	319.187938	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1147215"	164.641001	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1697777"	336.214485	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1648869"	341.16988	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575772"	357.14382	"C16814"	"gamma-Bisabolene;(Z)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"811606"	204.1878	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M"	0
"987691"	185.16941	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"78206"	135.117924	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517770"	203.180524	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892937"	67.055324	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13697"	203.180524	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452163"	305.274424	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"823405"	101.086624	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91051"	407.368324	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"527328"	611.556124	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"906224"	203.180524	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61330"	424.394871	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"500528"	628.582671	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873590"	220.207071	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"43676"	429.350266	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"482143"	633.538066	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"855570"	225.162466	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1629478"	225.162466	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"100539"	221.168863	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"541194"	323.262763	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"932523"	119.074963	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"272174"	443.345002	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670065"	647.532802	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1277002"	239.157202	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"23933"	445.324206	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"461304"	649.512006	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"835827"	241.136406	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1561507"	241.136406	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"950482"	249.185994	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"373441"	453.373801	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359147"	467.389451	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504333"	263.201651	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965678"	271.167951	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"125595"	239.157202	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562895"	341.251102	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030601"	137.063302	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1249084"	283.106685	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1315907"	285.162672	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1333401"	307.144629	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"923365"	317.173386	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1298982"	353.150064	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1373862"	169.175124	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1393545"	187.1851	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"293232"	409.382876	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684561"	613.570676	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1359816"	205.195076	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"130517"	205.195076	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570079"	307.288976	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1040700"	103.101176	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"208601"	137.132476	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"649989"	205.195076	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1172128"	69.069876	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435405"	426.409423	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"797494"	630.597223	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690543"	222.221623	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"339914"	213.7083495	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"732335"	315.8022495	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1490532"	111.6144495	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"402647"	431.364818	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"764736"	635.552618	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1613928"	227.177018	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321778"	216.186047	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"716386"	318.279947	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1470208"	114.092147	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1061266"	76.39719	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1265136"	237.221286	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"388450"	447.338758	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"752363"	651.526558	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1550040"	243.150958	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"309403"	224.173017	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"701823"	326.266917	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1446528"	122.079117	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"240970"	450.409426	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225468"	246.221626	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209769"	123.614451	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203332"	453.34676	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643741"	657.53456	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1144814"	249.15896	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187376"	227.177018	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626571"	329.270918	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1128983"	125.083118	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1409587"	83.724504	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1441708"	251.200546	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234323"	232.21004	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1520925"	265.25259	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"420246"	235.163988	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"781969"	337.257888	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678298"	133.070088	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"261901"	472.391368	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1228408"	268.203568	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1715837"	268.227093	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1191407"	91.051818	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1662392"	273.182488	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167068"	485.29464	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"608816"	689.48244	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1094058"	281.10684	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145773"	243.150958	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"583509"	345.244858	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1069966"	141.057058	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1105241"	283.121392	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345998"	283.209007	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1013435"	287.248176	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1528283"	288.241808	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"993637"	144.127726	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1592515"	289.156428	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1414894"	319.187938	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148461"	164.641001	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1697526"	336.214485	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1647885"	341.16988	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575882"	357.14382	"C16815"	"alpha-Cadinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802968"	424.1369	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M"	0
"983062"	405.11851	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-H2O-H"	-19.01839
"77504"	281.750657333333	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M-3H"	-3.021828
"516336"	423.129624	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M-3H"	-3.021828
"890858"	140.371690666667	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-3H"	-3.021828
"10527"	423.129624	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M-2H"	-2.014552
"451178"	635.198074	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M-2H"	-2.014552
"829955"	211.061174	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-2H"	-2.014552
"88974"	847.266524	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M-H"	-1.007276
"527438"	1271.403424	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M-H"	-1.007276
"906334"	423.129624	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-H"	-1.007276
"56337"	864.293071	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M-2H+NH4"	16.019271
"500151"	1288.429971	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M-2H+NH4"	16.019271
"875887"	440.156171	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-2H+NH4"	16.019271
"43786"	869.248466	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M-2H+Na"	20.974666
"482255"	1293.385366	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M-2H+Na"	20.974666
"856774"	445.111566	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-2H+Na"	20.974666
"1628495"	445.111566	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Na-2H"	20.974666
"100650"	441.117963	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M-H+Cl"	33.962126
"541304"	653.186413	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M-H+Cl"	33.962126
"937007"	229.049513	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-H+Cl"	33.962126
"275564"	883.243202	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+Cl"	34.969402
"666894"	1307.380102	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+Cl"	34.969402
"1277112"	459.106302	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Cl"	34.969402
"27324"	885.222406	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M-2H+K"	36.948606
"461414"	1309.359306	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M-2H+K"	36.948606
"835938"	461.085506	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-2H+K"	36.948606
"1557240"	461.085506	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+K-2H"	36.948606
"954967"	469.135094	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-H+HCOOH"	44.998194
"372820"	893.272001	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+HCOOH-H"	44.998201
"357067"	907.287651	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+Hac-H"	59.013851
"1504442"	483.150751	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Hac-H"	59.013851
"966882"	491.117051	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-H+NaCOOH"	66.980151
"122351"	459.106302	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+2Cl"	69.938804
"563006"	671.174752	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+2Cl"	69.938804
"1031804"	247.037852	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2Cl"	69.938804
"1252475"	503.055785	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Br"	78.918885
"1316016"	505.111772	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Cl+HCOOH"	80.974872
"1331324"	527.093729	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Cl+NaCOOH"	102.956829
"924936"	537.122486	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M-H+CF3COOH"	112.985586
"1297999"	573.099164	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Cl+CF3COOH"	148.962264
"1380534"	389.124224	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H-2H2O"	-35.012676
"1392562"	407.1342	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H-H2O"	-17.0027
"291155"	849.281076	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+H"	1.007276
"684671"	1273.417976	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+H"	1.007276
"1357739"	425.144176	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H"	1.007276
"129898"	425.144176	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+2H"	2.014552
"571646"	637.212626	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+2H"	2.014552
"1042631"	213.075726	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2H"	2.014552
"209441"	283.765209333333	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+3H"	3.021828
"650829"	425.144176	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+3H"	3.021828
"1171143"	142.386242666667	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+3H"	3.021828
"436608"	866.307623	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+NH4"	18.033823
"797604"	1290.444523	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+NH4"	18.033823
"1692839"	442.170723	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+NH4"	18.033823
"343673"	433.6574495	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+H+NH4"	19.041099
"737789"	645.7258995	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+H+NH4"	19.041099
"1489547"	221.5889995	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H+NH4"	19.041099
"401665"	871.263018	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+Na"	22.989218
"765939"	1295.399918	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+Na"	22.989218
"1614038"	447.126118	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Na"	22.989218
"321888"	436.135147	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+H+Na"	23.996494
"716496"	648.203597	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+H+Na"	23.996494
"1472504"	224.066697	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H+Na"	23.996494
"1061376"	149.713556666667	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2H+Na"	25.00377
"1268163"	457.170386	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+CH3OH+H"	33.033486
"387467"	887.236958	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+K"	38.963158
"752474"	1311.373858	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+K"	38.963158
"1551608"	463.100058	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+K"	38.963158
"309878"	444.122117	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+H+K"	39.970434
"703026"	656.190567	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+H+K"	39.970434
"1447002"	232.053667	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H+K"	39.970434
"239987"	890.307626	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+ACN+H"	42.033826
"1225595"	466.170726	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+ACN+H"	42.033826
"1209599"	233.589001	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+ACN+2H"	43.041102
"202109"	893.24496	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+2Na-H"	44.97116
"643243"	1317.38186	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+2Na-H"	44.97116
"1144924"	469.10806	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2Na-H"	44.97116
"187122"	447.126118	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+2Na"	45.978436
"626682"	659.194568	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+2Na"	45.978436
"1128362"	235.057668	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2Na"	45.978436
"1409696"	157.040870666667	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H+2Na"	46.985712
"1442548"	471.149646	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H+HCOOH"	47.012746
"233703"	452.15914	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+3H2O+2H"	56.04448
"1520669"	485.20169	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+IsoProp+H"	61.06479
"420355"	455.113088	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+Na+K"	61.952376
"782442"	667.181538	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+Na+K"	61.952376
"1674761"	243.044638	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Na+K"	61.952376
"261280"	912.289568	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+ACN+Na"	64.015768
"1230343"	488.152668	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+ACN+Na"	64.015768
"1715947"	488.176193	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+NH4+HCOOH"	64.039293
"1187139"	164.368184666667	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+3Na"	68.967654
"1663232"	493.131588	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Na+HCOOH"	68.994688
"171189"	925.19284	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+2K-H"	76.91904
"607835"	1349.32974	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+2K-H"	76.91904
"1095629"	501.05594	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2K-H"	76.91904
"150259"	463.100058	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"2M+2K"	77.926316
"583621"	675.168508	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"3M+2K"	77.926316
"1072143"	251.031608	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2K"	77.926316
"1104257"	503.070492	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2K+H"	78.933592
"1341735"	503.158107	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+DMSO+H"	79.021207
"1013545"	507.197276	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2ACN+H"	83.060376
"1530580"	508.190908	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+IsoProp+Na+H"	84.054008
"994841"	254.102276	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+2ACN+2H"	84.067652
"1592625"	509.105528	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+K+HCOOH"	84.968628
"1420470"	539.137038	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+H+CF3COOH"	115.000138
"1152946"	274.615551	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+3ACN+2H"	125.094202
"1698123"	556.163585	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+NH4+CF3COOH"	132.026685
"1644715"	561.11898	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+Na+CF3COOH"	136.98208
"1575992"	577.09292	"C16816"	"Ginkgolide M"	"C20H24O10"	"424.1369"	"M+K+CF3COOH"	152.95602
"811826"	129.0248	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M"	0
"983172"	110.00641	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-H2O-H"	-19.01839
"76884"	85.0092573333333	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M-3H"	-3.021828
"517539"	128.017524	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M-3H"	-3.021828
"893155"	42.0009906666667	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-3H"	-3.021828
"10637"	128.017524	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M-2H"	-2.014552
"452381"	192.529924	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M-2H"	-2.014552
"824716"	63.505124	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-2H"	-2.014552
"86895"	257.042324	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M-H"	-1.007276
"530828"	386.067124	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M-H"	-1.007276
"906445"	128.017524	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-H"	-1.007276
"59728"	274.068871	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M-2H+NH4"	16.019271
"500385"	403.093671	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M-2H+NH4"	16.019271
"876728"	145.044071	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-2H+NH4"	16.019271
"40616"	279.024266	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M-2H+Na"	20.974666
"483094"	408.049066	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M-2H+Na"	20.974666
"856885"	149.999466	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-2H+Na"	20.974666
"1629699"	149.999466	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Na-2H"	20.974666
"98575"	146.005863	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M-H+Cl"	33.962126
"539228"	210.518263	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M-H+Cl"	33.962126
"933838"	81.493463	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-H+Cl"	33.962126
"270570"	293.019002	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+Cl"	34.969402
"667004"	422.043802	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+Cl"	34.969402
"1283782"	163.994202	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Cl"	34.969402
"29255"	294.998206	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M-2H+K"	36.948606
"458608"	424.023006	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M-2H+K"	36.948606
"834954"	165.973406	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-2H+K"	36.948606
"1559537"	165.973406	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+K-2H"	36.948606
"955077"	174.022994	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-H+HCOOH"	44.998194
"368921"	303.047801	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+HCOOH-H"	44.998201
"359367"	317.063451	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+Hac-H"	59.013851
"1504916"	188.038651	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Hac-H"	59.013851
"968085"	196.004951	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-H+NaCOOH"	66.980151
"122096"	163.994202	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+2Cl"	69.938804
"558740"	228.506602	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+2Cl"	69.938804
"1035196"	99.481802	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2Cl"	69.938804
"1252587"	207.943685	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Br"	78.918885
"1316128"	209.999672	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Cl+HCOOH"	80.974872
"1330341"	231.981629	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Cl+NaCOOH"	102.956829
"921400"	242.010386	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M-H+CF3COOH"	112.985586
"1298109"	277.987064	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Cl+CF3COOH"	148.962264
"1377364"	94.012124	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H-2H2O"	-35.012676
"1394861"	112.0221	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H-H2O"	-17.0027
"291265"	259.056876	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+H"	1.007276
"682595"	388.081676	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+H"	1.007276
"1354569"	130.032076	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H"	1.007276
"127822"	130.032076	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+2H"	2.014552
"570299"	194.544476	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+2H"	2.014552
"1043473"	65.519676	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2H"	2.014552
"206636"	87.0238093333333	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+3H"	3.021828
"652034"	130.032076	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+3H"	3.021828
"1176360"	44.0155426666667	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+3H"	3.021828
"439151"	276.083423	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+NH4"	18.033823
"800636"	405.108223	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+NH4"	18.033823
"1694043"	147.058623	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+NH4"	18.033823
"344150"	138.5453495	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+H+NH4"	19.041099
"733648"	203.0577495	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+H+NH4"	19.041099
"1490752"	74.0329495	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H+NH4"	19.041099
"407489"	281.038818	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+Na"	22.989218
"763865"	410.063618	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+Na"	22.989218
"1611963"	152.014018	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Na"	22.989218
"326372"	141.023047	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+H+Na"	23.996494
"714419"	205.535447	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+H+Na"	23.996494
"1472614"	76.510647	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H+Na"	23.996494
"1064766"	51.3428566666667	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2H+Na"	25.00377
"1268273"	162.058286	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+CH3OH+H"	33.033486
"388306"	297.012758	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+K"	38.963158
"753438"	426.037558	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+K"	38.963158
"1553177"	167.987958	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+K"	38.963158
"314039"	149.010017	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+H+K"	39.970434
"702408"	213.522417	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+H+K"	39.970434
"1450395"	84.497617	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H+K"	39.970434
"244473"	300.083426	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+ACN+H"	42.033826
"1224970"	171.058626	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+ACN+H"	42.033826
"1208611"	86.032951	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+ACN+2H"	43.041102
"203543"	303.02076	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+2Na-H"	44.97116
"642257"	432.04556	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+2Na-H"	44.97116
"1143576"	173.99596	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2Na-H"	44.97116
"185045"	152.014018	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+2Na"	45.978436
"625331"	216.526418	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+2Na"	45.978436
"1129199"	87.501618	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2Na"	45.978436
"1409077"	58.6701706666667	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H+2Na"	46.985712
"1443018"	176.037546	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H+HCOOH"	47.012746
"232354"	157.04704	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+3H2O+2H"	56.04448
"1520050"	190.08959	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+IsoProp+H"	61.06479
"421925"	160.000988	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+Na+K"	61.952376
"782919"	224.513388	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+Na+K"	61.952376
"1675968"	95.488588	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Na+K"	61.952376
"260298"	322.065368	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+ACN+Na"	64.015768
"1228629"	193.040568	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+ACN+Na"	64.015768
"1715329"	193.064093	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+NH4+HCOOH"	64.039293
"1181050"	65.9974846666667	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+3Na"	68.967654
"1651669"	198.019488	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Na+HCOOH"	68.994688
"166193"	334.96864	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+2K-H"	76.91904
"606852"	463.99344	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+2K-H"	76.91904
"1094645"	205.94384	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2K-H"	76.91904
"150366"	167.987958	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"2M+2K"	77.926316
"584461"	232.500358	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"3M+2K"	77.926316
"1073347"	103.475558	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2K"	77.926316
"1105461"	207.958392	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2K+H"	78.933592
"1341845"	208.046007	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+DMSO+H"	79.021207
"1012562"	212.085176	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2ACN+H"	83.060376
"1533970"	213.078808	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+IsoProp+Na+H"	84.054008
"993128"	106.546226	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+2ACN+2H"	84.067652
"1590549"	213.993428	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+K+HCOOH"	84.968628
"1416208"	244.024938	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+H+CF3COOH"	115.000138
"1147103"	127.059501	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+3ACN+2H"	125.094202
"1697425"	261.051485	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+NH4+CF3COOH"	132.026685
"1644825"	266.00688	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+Na+CF3COOH"	136.98208
"1576102"	281.98082	"C16817"	"Goitrin"	"C5H7NOS"	"129.0248"	"M+K+CF3COOH"	152.95602
"803188"	358.3236	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M"	0
"987656"	339.30521	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-H2O-H"	-19.01839
"77359"	237.875124	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M-3H"	-3.021828
"518139"	357.316324	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M-3H"	-3.021828
"894358"	118.433924	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-3H"	-3.021828
"10747"	357.316324	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M-2H"	-2.014552
"451398"	536.478124	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M-2H"	-2.014552
"823732"	178.154524	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-2H"	-2.014552
"87005"	715.639924	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M-H"	-1.007276
"527658"	1073.963524	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M-H"	-1.007276
"909593"	357.316324	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-H"	-1.007276
"61782"	732.666471	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M-2H+NH4"	16.019271
"501589"	1090.990071	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M-2H+NH4"	16.019271
"877202"	374.342871	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-2H+NH4"	16.019271
"42913"	737.621866	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M-2H+Na"	20.974666
"483568"	1095.945466	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M-2H+Na"	20.974666
"859181"	379.298266	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-2H+Na"	20.974666
"1626529"	379.298266	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Na-2H"	20.974666
"99778"	375.304663	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M-H+Cl"	33.962126
"539338"	554.466463	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M-H+Cl"	33.962126
"935041"	196.142863	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-H+Cl"	33.962126
"270680"	751.616602	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+Cl"	34.969402
"670394"	1109.940202	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+Cl"	34.969402
"1280613"	393.293002	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Cl"	34.969402
"29729"	753.595806	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M-2H+K"	36.948606
"470020"	1111.919406	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M-2H+K"	36.948606
"842717"	395.272206	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-2H+K"	36.948606
"1557824"	395.272206	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+K-2H"	36.948606
"947530"	403.321794	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-H+HCOOH"	44.998194
"371217"	761.645401	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+HCOOH-H"	44.998201
"359599"	775.661051	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+Hac-H"	59.013851
"1505026"	417.337451	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Hac-H"	59.013851
"968195"	425.303751	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-H+NaCOOH"	66.980151
"122570"	393.293002	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+2Cl"	69.938804
"558849"	572.454802	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+2Cl"	69.938804
"1036644"	214.131202	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2Cl"	69.938804
"1254882"	437.242485	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Br"	78.918885
"1317331"	439.298472	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Cl+HCOOH"	80.974872
"1331544"	461.280429	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Cl+NaCOOH"	102.956829
"925885"	471.309186	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M-H+CF3COOH"	112.985586
"1302594"	507.285864	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Cl+CF3COOH"	148.962264
"1377474"	323.310924	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H-2H2O"	-35.012676
"1396064"	341.3209	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H-H2O"	-17.0027
"291375"	717.654476	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+H"	1.007276
"684892"	1075.978076	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+H"	1.007276
"1355043"	359.330876	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H"	1.007276
"131943"	359.330876	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+2H"	2.014552
"568221"	538.492676	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+2H"	2.014552
"1042490"	180.169076	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2H"	2.014552
"206746"	239.889676	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+3H"	3.021828
"653237"	359.330876	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+3H"	3.021828
"1176470"	120.448476	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+3H"	3.021828
"438897"	734.681023	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+NH4"	18.033823
"800865"	1093.004623	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+NH4"	18.033823
"1693060"	376.357423	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+NH4"	18.033823
"345353"	367.8441495	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+H+NH4"	19.041099
"737042"	547.0059495	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+H+NH4"	19.041099
"1487581"	188.6823495	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H+NH4"	19.041099
"407720"	739.636418	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+Na"	22.989218
"761787"	1097.960018	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+Na"	22.989218
"1613166"	381.312818	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Na"	22.989218
"326481"	370.321847	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+H+Na"	23.996494
"713436"	549.483647	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+H+Na"	23.996494
"1468351"	191.160047	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H+Na"	23.996494
"1063783"	127.77579	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2H+Na"	25.00377
"1267655"	391.357086	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+CH3OH+H"	33.033486
"389145"	755.610358	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+K"	38.963158
"754199"	1113.933958	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+K"	38.963158
"1555111"	397.286758	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+K"	38.963158
"313380"	378.308817	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+H+K"	39.970434
"702882"	557.470617	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+H+K"	39.970434
"1449412"	199.147017	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H+K"	39.970434
"244583"	758.681026	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+ACN+H"	42.033826
"1225280"	400.357426	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+ACN+H"	42.033826
"1209086"	200.682351	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+ACN+2H"	43.041102
"202071"	761.61836	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+2Na-H"	44.97116
"643096"	1119.94196	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+2Na-H"	44.97116
"1143688"	403.29476	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2Na-H"	44.97116
"186006"	381.312818	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+2Na"	45.978436
"625806"	560.474618	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+2Na"	45.978436
"1129309"	202.151018	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2Na"	45.978436
"1411374"	135.103104	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H+2Na"	46.985712
"1444588"	405.336346	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H+HCOOH"	47.012746
"234038"	386.34584	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+3H2O+2H"	56.04448
"1522346"	419.38839	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+IsoProp+H"	61.06479
"422033"	389.299788	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+Na+K"	61.952376
"781567"	568.461588	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+Na+K"	61.952376
"1676078"	210.137988	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Na+K"	61.952376
"261501"	780.662968	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+ACN+Na"	64.015768
"1228011"	422.339368	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+ACN+Na"	64.015768
"1715439"	422.362893	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+NH4+HCOOH"	64.039293
"1180789"	142.430418	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+3Na"	68.967654
"1651779"	427.318288	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Na+HCOOH"	68.994688
"167396"	793.56624	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+2K-H"	76.91904
"604776"	1151.88984	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+2K-H"	76.91904
"1092568"	435.24264	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2K-H"	76.91904
"149383"	397.286758	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"2M+2K"	77.926316
"586028"	576.448558	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"3M+2K"	77.926316
"1073457"	218.124958	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2K"	77.926316
"1105571"	437.257192	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2K+H"	78.933592
"1344142"	437.344807	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+DMSO+H"	79.021207
"1011581"	441.383976	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2ACN+H"	83.060376
"1529706"	442.377608	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+IsoProp+Na+H"	84.054008
"993602"	221.195626	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+2ACN+2H"	84.067652
"1591752"	443.292228	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+K+HCOOH"	84.968628
"1416318"	473.323738	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+H+CF3COOH"	115.000138
"1147054"	241.708901	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+3ACN+2H"	125.094202
"1697738"	490.350285	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+NH4+CF3COOH"	132.026685
"1644935"	495.30568	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+Na+CF3COOH"	136.98208
"1576212"	511.27962	"C16818"	"Ophiobolin F;Ophiobolene"	"C25H42O"	"358.3236"	"M+K+CF3COOH"	152.95602
"806578"	416.329	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M"	0
"986672"	397.31061	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"76740"	276.545390666667	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"518045"	415.321724	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"893375"	137.769057333333	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"10858"	415.321724	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"449321"	623.486224	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"823841"	207.157224	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"86021"	831.650724	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"532749"	1247.979724	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"906665"	415.321724	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"58854"	848.677271	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"501332"	1265.006271	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"876216"	432.348271	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"44116"	853.632666	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"479301"	1269.961666	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"858195"	437.303666	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1627732"	437.303666	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"104260"	433.310063	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"539081"	641.474563	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"935150"	225.145563	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"271519"	867.627402	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"668316"	1283.956402	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1280721"	451.298402	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"27651"	869.606606	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"469400"	1285.935606	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"842827"	453.277606	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1556962"	453.277606	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"946546"	461.327194	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"373513"	877.656201	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"360073"	891.671851	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1506229"	475.342851	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"967211"	483.309151	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"120493"	451.298402	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"558959"	659.462902	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1034317"	243.133902	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1254990"	495.247885	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1316347"	497.303872	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1331654"	519.285829	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"923809"	529.314586	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1303602"	565.291264	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1382575"	381.316324	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1397268"	399.3263	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"294765"	833.665276	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"687188"	1249.994276	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1355517"	417.336276	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H"	1.007276
"133146"	417.336276	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"568695"	625.500776	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1042600"	209.171776	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"207220"	278.559942666667	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"655534"	417.336276	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1169649"	139.783609333333	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"438642"	850.691823	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"799759"	1267.020823	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1693170"	434.362823	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"345099"	425.8495495	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"737151"	634.0140495	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1488784"	217.6850495	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"408116"	855.647218	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"762991"	1271.976218	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1612183"	439.318218	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"324405"	428.327247	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"713546"	636.491747	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1469554"	220.162747	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1064986"	147.110923333333	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1267034"	449.362486	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"392174"	871.621158	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"754196"	1287.950158	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1555304"	455.292158	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+K"	38.963158
"314226"	436.314217	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"703721"	644.478717	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1453897"	228.149717	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"246879"	874.691826	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1224828"	458.362826	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1208348"	229.685051	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"204129"	877.62916	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"643084"	1293.95816	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1144527"	461.30016	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"186358"	439.318218	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"625552"	647.482718	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1129419"	231.153718	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1411849"	154.438237333333	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1445106"	463.341746	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"235118"	444.35124	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1523183"	477.39379	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"422142"	447.305188	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"782770"	655.469688	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1678737"	239.140688	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"259424"	896.673768	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1228850"	480.344768	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1715550"	480.368293	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1180171"	161.765551333333	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1655166"	485.323688	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"158755"	909.57704	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"604886"	1325.90604	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1095958"	493.24804	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"150585"	455.292158	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"589054"	663.456658	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1074660"	247.127658	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1105681"	495.262592	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1343159"	495.350207	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1011691"	499.389376	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1529087"	500.383008	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"993348"	250.198326	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1592956"	501.297628	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1417522"	531.329138	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1147446"	270.711601	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1698091"	548.355685	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1645045"	553.31108	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1576322"	569.28502	"C16819"	"Neotigogenin"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"803408"	710.3514	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M"	0
"983502"	691.33301	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-H2O-H"	-19.01839
"77946"	472.560324	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M-3H"	-3.021828
"517870"	709.344124	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M-3H"	-3.021828
"892391"	235.776524	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-3H"	-3.021828
"9874"	709.344124	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M-2H"	-2.014552
"446150"	1064.519824	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M-2H"	-2.014552
"823951"	354.168424	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-2H"	-2.014552
"86131"	1419.695524	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M-H"	-1.007276
"532252"	2130.046924	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M-H"	-1.007276
"906775"	709.344124	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-H"	-1.007276
"56777"	1436.722071	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M-2H+NH4"	16.019271
"501442"	2147.073471	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M-2H+NH4"	16.019271
"876326"	726.370671	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-2H+NH4"	16.019271
"40946"	1441.677466	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M-2H+Na"	20.974666
"477224"	2152.028866	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M-2H+Na"	20.974666
"855026"	731.326066	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-2H+Na"	20.974666
"1627842"	731.326066	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Na-2H"	20.974666
"102183"	727.332463	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M-H+Cl"	33.962126
"537370"	1082.508163	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M-H+Cl"	33.962126
"933073"	372.156763	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-H+Cl"	33.962126
"273816"	1455.672202	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+Cl"	34.969402
"667333"	2166.023602	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+Cl"	34.969402
"1277549"	745.320802	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Cl"	34.969402
"20106"	1457.651406	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M-2H+K"	36.948606
"467322"	2168.002806	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M-2H+K"	36.948606
"839656"	747.300006	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-2H+K"	36.948606
"1556587"	747.300006	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+K-2H"	36.948606
"944469"	755.349594	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-H+HCOOH"	44.998194
"372530"	1465.701001	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+HCOOH-H"	44.998201
"358239"	1479.716651	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+Hac-H"	59.013851
"1505247"	769.365251	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Hac-H"	59.013851
"967321"	777.331551	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-H+NaCOOH"	66.980151
"113676"	745.320802	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+2Cl"	69.938804
"559069"	1100.496502	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+2Cl"	69.938804
"1031147"	390.145102	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2Cl"	69.938804
"1251820"	789.270285	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Br"	78.918885
"1316456"	791.326272	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Cl+HCOOH"	80.974872
"1330671"	813.308229	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Cl+NaCOOH"	102.956829
"922824"	823.336986	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M-H+CF3COOH"	112.985586
"1303179"	859.313664	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Cl+CF3COOH"	148.962264
"1382070"	675.338724	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H-2H2O"	-35.012676
"1397378"	693.3487	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H-H2O"	-17.0027
"293782"	1421.710076	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+H"	1.007276
"685112"	2132.061476	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+H"	1.007276
"1354899"	711.358676	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H"	1.007276
"133256"	711.358676	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+2H"	2.014552
"567713"	1066.534376	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+2H"	2.014552
"1042710"	356.182976	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2H"	2.014552
"206966"	474.574876	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+3H"	3.021828
"657466"	711.358676	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+3H"	3.021828
"1170488"	237.791076	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+3H"	3.021828
"437782"	1438.736623	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+NH4"	18.033823
"800113"	2149.088023	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+NH4"	18.033823
"1692552"	728.385223	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+NH4"	18.033823
"344725"	719.8719495	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+H+NH4"	19.041099
"737262"	1075.0476495	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+H+NH4"	19.041099
"1488530"	364.6962495	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H+NH4"	19.041099
"408387"	1443.692018	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+Na"	22.989218
"765287"	2154.043418	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+Na"	22.989218
"1613386"	733.340618	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Na"	22.989218
"326702"	722.349647	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+H+Na"	23.996494
"713656"	1077.525347	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+H+Na"	23.996494
"1469664"	367.173947	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H+Na"	23.996494
"1062910"	245.11839	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2H+Na"	25.00377
"1267144"	743.384886	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+CH3OH+H"	33.033486
"390826"	1459.665958	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+K"	38.963158
"753811"	2170.017358	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+K"	38.963158
"1554237"	749.314558	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+K"	38.963158
"313723"	730.336617	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+H+K"	39.970434
"700186"	1085.512317	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+H+K"	39.970434
"1452914"	375.160917	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H+K"	39.970434
"240422"	1462.736626	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+ACN+H"	42.033826
"1225608"	752.385226	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+ACN+H"	42.033826
"1209876"	376.696251	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+ACN+2H"	43.041102
"199738"	1465.67396	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+2Na-H"	44.97116
"643962"	2176.02536	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+2Na-H"	44.97116
"1146093"	755.32256	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2Na-H"	44.97116
"187683"	733.340618	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+2Na"	45.978436
"625294"	1088.516318	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+2Na"	45.978436
"1129893"	378.164918	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2Na"	45.978436
"1411959"	252.445704	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H+2Na"	46.985712
"1445499"	757.364146	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H+HCOOH"	47.012746
"234864"	738.37364	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+3H2O+2H"	56.04448
"1521832"	771.41619	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+IsoProp+H"	61.06479
"423224"	741.327588	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+Na+K"	61.952376
"782880"	1096.503288	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+Na+K"	61.952376
"1673014"	386.151888	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Na+K"	61.952376
"259534"	1484.718568	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+ACN+Na"	64.015768
"1227137"	774.367168	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+ACN+Na"	64.015768
"1714565"	774.390693	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+NH4+HCOOH"	64.039293
"1179307"	259.773018	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+3Na"	68.967654
"1652361"	779.346088	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Na+HCOOH"	68.994688
"158865"	1497.62184	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+2K-H"	76.91904
"607182"	2207.97324	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+2K-H"	76.91904
"1092788"	787.27044	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2K-H"	76.91904
"151788"	749.314558	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"2M+2K"	77.926316
"586975"	1104.490258	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"3M+2K"	77.926316
"1072582"	394.138858	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2K"	77.926316
"1105791"	789.284992	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2K+H"	78.933592
"1341082"	789.372607	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+DMSO+H"	79.021207
"1011801"	793.411776	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2ACN+H"	83.060376
"1527374"	794.405408	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+IsoProp+Na+H"	84.054008
"993822"	397.209526	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+2ACN+2H"	84.067652
"1595252"	795.320028	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+K+HCOOH"	84.968628
"1417632"	825.351538	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+H+CF3COOH"	115.000138
"1149013"	417.722801	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+3ACN+2H"	125.094202
"1698930"	842.378085	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+NH4+CF3COOH"	132.026685
"1641875"	847.33348	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+Na+CF3COOH"	136.98208
"1576432"	863.30742	"C16820"	"k-Strophanthin-beta"	"C36H54O14"	"710.3514"	"M+K+CF3COOH"	152.95602
"803518"	141.079	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M"	0
"984706"	122.06061	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-H2O-H"	-19.01839
"77085"	93.0453906666667	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M-3H"	-3.021828
"515429"	140.071724	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M-3H"	-3.021828
"891409"	46.0190573333333	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-3H"	-3.021828
"12171"	140.071724	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M-2H"	-2.014552
"448447"	210.611224	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M-2H"	-2.014552
"826248"	69.532224	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-2H"	-2.014552
"86241"	281.150724	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M-H"	-1.007276
"532241"	422.229724	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M-H"	-1.007276
"903605"	140.071724	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-H"	-1.007276
"53607"	298.177271	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M-2H+NH4"	16.019271
"501431"	439.256271	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M-2H+NH4"	16.019271
"873156"	157.098271	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-2H+NH4"	16.019271
"38869"	303.132666	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M-2H+Na"	20.974666
"478428"	444.211666	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M-2H+Na"	20.974666
"856230"	162.053666	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-2H+Na"	20.974666
"1623578"	162.053666	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Na-2H"	20.974666
"101200"	158.060063	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M-H+Cl"	33.962126
"539667"	228.599563	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M-H+Cl"	33.962126
"932088"	87.520563	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-H+Cl"	33.962126
"270643"	317.127402	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+Cl"	34.969402
"665256"	458.206402	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+Cl"	34.969402
"1276564"	176.048402	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Cl"	34.969402
"21309"	319.106606	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M-2H+K"	36.948606
"458684"	460.185606	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M-2H+K"	36.948606
"836485"	178.027606	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-2H+K"	36.948606
"1556697"	178.027606	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+K-2H"	36.948606
"946767"	186.077194	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-H+HCOOH"	44.998194
"370453"	327.156201	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+HCOOH-H"	44.998201
"355429"	341.171851	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+Hac-H"	59.013851
"1507058"	200.092851	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Hac-H"	59.013851
"961234"	208.059151	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-H+NaCOOH"	66.980151
"113058"	176.048402	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+2Cl"	69.938804
"559179"	246.587902	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+2Cl"	69.938804
"1025790"	105.508902	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2Cl"	69.938804
"1248649"	219.997885	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Br"	78.918885
"1312191"	222.053872	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Cl+HCOOH"	80.974872
"1330781"	244.035829	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Cl+NaCOOH"	102.956829
"922933"	254.064586	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M-H+CF3COOH"	112.985586
"1301830"	290.041264	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Cl+CF3COOH"	148.962264
"1381085"	106.066324	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H-2H2O"	-35.012676
"1393114"	124.0763	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H-H2O"	-17.0027
"290613"	283.165276	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+H"	1.007276
"686315"	424.244276	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+H"	1.007276
"1357196"	142.086276	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H"	1.007276
"133366"	142.086276	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+2H"	2.014552
"571103"	212.625776	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+2H"	2.014552
"1042820"	71.546776	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2H"	2.014552
"205619"	95.0599426666667	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+3H"	3.021828
"654660"	142.086276	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+3H"	3.021828
"1170598"	48.0336093333333	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+3H"	3.021828
"437155"	300.191823	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+NH4"	18.033823
"798151"	441.270823	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+NH4"	18.033823
"1692295"	159.112823	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+NH4"	18.033823
"342764"	150.5995495	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+H+NH4"	19.041099
"734090"	221.1390495	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+H+NH4"	19.041099
"1490463"	80.0600495	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H+NH4"	19.041099
"405497"	305.147218	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+Na"	22.989218
"765397"	446.226218	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+Na"	22.989218
"1614591"	164.068218	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Na"	22.989218
"324625"	153.077247	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+H+Na"	23.996494
"718142"	223.616747	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+H+Na"	23.996494
"1473055"	82.537747	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H+Na"	23.996494
"1064117"	55.3609233333333	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2H+Na"	25.00377
"1269443"	174.112486	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+CH3OH+H"	33.033486
"391664"	321.121158	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+K"	38.963158
"753634"	462.200158	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+K"	38.963158
"1554834"	180.042158	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+K"	38.963158
"313104"	161.064217	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+H+K"	39.970434
"700296"	231.603717	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+H+K"	39.970434
"1453025"	90.524717	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H+K"	39.970434
"242718"	324.191826	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+ACN+H"	42.033826
"1224551"	183.112826	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+ACN+H"	42.033826
"1209831"	92.060051	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+ACN+2H"	43.041102
"201305"	327.12916	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+2Na-H"	44.97116
"642324"	468.20816	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+2Na-H"	44.97116
"1146321"	186.05016	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2Na-H"	44.97116
"184385"	164.068218	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+2Na"	45.978436
"623580"	234.607718	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+2Na"	45.978436
"1127818"	93.528718	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2Na"	45.978436
"1412070"	62.6882373333333	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H+2Na"	46.985712
"1444186"	188.091746	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H+HCOOH"	47.012746
"234246"	169.10124	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+3H2O+2H"	56.04448
"1521942"	202.14379	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+IsoProp+H"	61.06479
"419806"	172.055188	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+Na+K"	61.952376
"779711"	242.594688	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+Na+K"	61.952376
"1673124"	101.515688	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Na+K"	61.952376
"256363"	346.173768	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+ACN+Na"	64.015768
"1228705"	205.094768	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+ACN+Na"	64.015768
"1715039"	205.118293	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+NH4+HCOOH"	64.039293
"1182212"	70.0155513333333	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+3Na"	68.967654
"1652106"	210.073688	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Na+HCOOH"	68.994688
"158847"	359.07704	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+2K-H"	76.91904
"609480"	500.15604	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+2K-H"	76.91904
"1098362"	217.99804	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2K-H"	76.91904
"147524"	180.042158	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"2M+2K"	77.926316
"585991"	250.581658	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"3M+2K"	77.926316
"1073056"	109.502658	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2K"	77.926316
"1102619"	220.012592	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2K+H"	78.933592
"1339369"	220.100207	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+DMSO+H"	79.021207
"1009722"	224.139376	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2ACN+H"	83.060376
"1526391"	225.133008	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+IsoProp+Na+H"	84.054008
"993568"	112.573326	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+2ACN+2H"	84.067652
"1595363"	226.047628	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+K+HCOOH"	84.968628
"1416648"	256.079138	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+H+CF3COOH"	115.000138
"1148759"	133.086601	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+3ACN+2H"	125.094202
"1698676"	273.105685	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+NH4+CF3COOH"	132.026685
"1641985"	278.06108	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+Na+CF3COOH"	136.98208
"1576542"	294.03502	"C16821"	"Guvacoline"	"C7H11NO2"	"141.079"	"M+K+CF3COOH"	152.95602
"810188"	363.1219	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M"	0
"985545"	344.10351	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-H2O-H"	-19.01839
"77074"	241.073990666667	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M-3H"	-3.021828
"517363"	362.114624	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M-3H"	-3.021828
"893709"	120.033357333333	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-3H"	-3.021828
"14108"	362.114624	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M-2H"	-2.014552
"450744"	543.675574	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M-2H"	-2.014552
"829637"	180.553674	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-2H"	-2.014552
"92184"	725.236524	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M-H"	-1.007276
"533206"	1088.358424	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M-H"	-1.007276
"908089"	362.114624	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-H"	-1.007276
"58091"	742.263071	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M-2H+NH4"	16.019271
"498746"	1105.384971	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M-2H+NH4"	16.019271
"871080"	379.141171	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-2H+NH4"	16.019271
"42259"	747.218466	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M-2H+Na"	20.974666
"477446"	1110.340366	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M-2H+Na"	20.974666
"857434"	384.096566	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-2H+Na"	20.974666
"1626967"	384.096566	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Na-2H"	20.974666
"101310"	380.102963	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M-H+Cl"	33.962126
"537591"	561.663913	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M-H+Cl"	33.962126
"933294"	198.542013	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-H+Cl"	33.962126
"274038"	761.213202	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+Cl"	34.969402
"667554"	1124.335102	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+Cl"	34.969402
"1277770"	398.091302	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Cl"	34.969402
"21420"	763.192406	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M-2H+K"	36.948606
"458794"	1126.314306	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M-2H+K"	36.948606
"839876"	400.070506	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-2H+K"	36.948606
"1556807"	400.070506	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+K-2H"	36.948606
"947971"	408.120094	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-H+HCOOH"	44.998194
"367280"	771.242001	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+HCOOH-H"	44.998201
"357725"	785.257651	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+Hac-H"	59.013851
"1502184"	422.135751	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Hac-H"	59.013851
"961708"	430.102051	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-H+NaCOOH"	66.980151
"116448"	398.091302	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+2Cl"	69.938804
"556009"	579.652252	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+2Cl"	69.938804
"1028088"	216.530352	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2Cl"	69.938804
"1248760"	442.040785	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Br"	78.918885
"1314488"	444.096772	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Cl+HCOOH"	80.974872
"1327612"	466.078729	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Cl+NaCOOH"	102.956829
"923774"	476.107486	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M-H+CF3COOH"	112.985586
"1299392"	512.084164	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Cl+CF3COOH"	148.962264
"1377915"	328.109224	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H-2H2O"	-35.012676
"1394317"	346.1192	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H-H2O"	-17.0027
"289630"	727.251076	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+H"	1.007276
"684238"	1090.372976	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+H"	1.007276
"1355119"	364.129176	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H"	1.007276
"127521"	364.129176	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+2H"	2.014552
"569756"	545.690126	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+2H"	2.014552
"1039650"	182.568226	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2H"	2.014552
"205117"	243.088542666667	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+3H"	3.021828
"654770"	364.129176	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+3H"	3.021828
"1169615"	122.047909333333	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+3H"	3.021828
"438730"	744.277623	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+NH4"	18.033823
"800330"	1107.399523	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+NH4"	18.033823
"1694590"	381.155723	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+NH4"	18.033823
"342875"	372.6424495	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+H+NH4"	19.041099
"736751"	554.2033995	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+H+NH4"	19.041099
"1491301"	191.0814995	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H+NH4"	19.041099
"406336"	749.233018	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+Na"	22.989218
"766236"	1112.354918	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+Na"	22.989218
"1615796"	386.111118	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Na"	22.989218
"322548"	375.120147	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+H+Na"	23.996494
"719345"	556.681097	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+H+Na"	23.996494
"1472801"	193.559197	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H+Na"	23.996494
"1063497"	129.375223333333	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2H+Na"	25.00377
"1270282"	396.155386	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+CH3OH+H"	33.033486
"392024"	765.206958	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+K"	38.963158
"753871"	1128.328858	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+K"	38.963158
"1554904"	402.085058	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+K"	38.963158
"312484"	383.107117	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+H+K"	39.970434
"700406"	564.668067	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+H+K"	39.970434
"1454228"	201.546167	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H+K"	39.970434
"241735"	768.277626	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+ACN+H"	42.033826
"1225272"	405.155726	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+ACN+H"	42.033826
"1209158"	203.081501	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+ACN+2H"	43.041102
"201415"	771.21496	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+2Na-H"	44.97116
"643044"	1134.33686	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+2Na-H"	44.97116
"1144488"	408.09306	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2Na-H"	44.97116
"185957"	386.111118	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+2Na"	45.978436
"626244"	567.672068	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+2Na"	45.978436
"1128657"	204.550168	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2Na"	45.978436
"1412912"	136.702537333333	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H+2Na"	46.985712
"1444665"	410.134646	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H+HCOOH"	47.012746
"235089"	391.14414	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+3H2O+2H"	56.04448
"1522781"	424.18669	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+IsoProp+H"	61.06479
"419916"	394.098088	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+Na+K"	61.952376
"783831"	575.659038	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+Na+K"	61.952376
"1674327"	212.537138	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Na+K"	61.952376
"261212"	790.259568	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+ACN+Na"	64.015768
"1230274"	427.137668	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+ACN+Na"	64.015768
"1717335"	427.161193	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+NH4+HCOOH"	64.039293
"1182323"	144.029851333333	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+3Na"	68.967654
"1651490"	432.116588	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Na+HCOOH"	68.994688
"159082"	803.16284	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+2K-H"	76.91904
"609586"	1166.28474	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+2K-H"	76.91904
"1099202"	440.04094	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2K-H"	76.91904
"148726"	402.085058	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"2M+2K"	77.926316
"585372"	583.646008	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"3M+2K"	77.926316
"1076082"	220.524108	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2K"	77.926316
"1106009"	442.055492	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2K+H"	78.933592
"1341301"	442.143107	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+DMSO+H"	79.021207
"1017486"	446.182276	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2ACN+H"	83.060376
"1534520"	447.175908	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+IsoProp+Na+H"	84.054008
"993678"	223.594776	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+2ACN+2H"	84.067652
"1595473"	448.090528	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+K+HCOOH"	84.968628
"1420039"	478.122038	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+H+CF3COOH"	115.000138
"1149234"	244.108051	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+3ACN+2H"	125.094202
"1707533"	495.148585	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+NH4+CF3COOH"	132.026685
"1638815"	500.10398	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+Na+CF3COOH"	136.98208
"1576652"	516.07792	"C16822"	"9-Aminocamptothecin"	"C20H17N3O4"	"363.1219"	"M+K+CF3COOH"	152.95602
"807018"	416.2424	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M"	0
"986019"	397.22401	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-H2O-H"	-19.01839
"76452"	276.487657333333	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M-3H"	-3.021828
"516745"	415.235124	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M-3H"	-3.021828
"893090"	137.740190666667	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-3H"	-3.021828
"14583"	415.235124	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M-2H"	-2.014552
"455113"	623.356324	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M-2H"	-2.014552
"831816"	207.113924	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-2H"	-2.014552
"93959"	831.477524	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M-H"	-1.007276
"533324"	1247.719924	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M-H"	-1.007276
"908199"	415.235124	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-H"	-1.007276
"57108"	848.504071	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M-2H+NH4"	16.019271
"498856"	1264.746471	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M-2H+NH4"	16.019271
"874470"	432.261671	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-2H+NH4"	16.019271
"43463"	853.459466	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M-2H+Na"	20.974666
"483023"	1269.701866	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M-2H+Na"	20.974666
"861918"	437.217066	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-2H+Na"	20.974666
"1629266"	437.217066	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Na-2H"	20.974666
"109403"	433.223463	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M-H+Cl"	33.962126
"538795"	641.344663	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M-H+Cl"	33.962126
"934498"	225.102263	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-H+Cl"	33.962126
"280588"	867.454202	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+Cl"	34.969402
"674955"	1283.696602	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+Cl"	34.969402
"1281162"	451.211802	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Cl"	34.969402
"26999"	869.433406	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M-2H+K"	36.948606
"469841"	1285.675806	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M-2H+K"	36.948606
"844361"	453.191006	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-2H+K"	36.948606
"1566758"	453.191006	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+K-2H"	36.948606
"955735"	461.240594	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-H+HCOOH"	44.998194
"374681"	877.483001	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+HCOOH-H"	44.998201
"360023"	891.498651	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+Hac-H"	59.013851
"1506304"	475.256251	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Hac-H"	59.013851
"962183"	483.222551	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-H+NaCOOH"	66.980151
"113278"	451.211802	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+2Cl"	69.938804
"559399"	659.333002	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+2Cl"	69.938804
"1028198"	243.090602	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2Cl"	69.938804
"1252150"	495.161285	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Br"	78.918885
"1314600"	497.217272	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Cl+HCOOH"	80.974872
"1331005"	519.199229	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Cl+NaCOOH"	102.956829
"924254"	529.227986	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M-H+CF3COOH"	112.985586
"1301694"	565.204664	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Cl+CF3COOH"	148.962264
"1378754"	381.229724	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H-2H2O"	-35.012676
"1396251"	399.2397	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H-H2O"	-17.0027
"295208"	833.492076	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+H"	1.007276
"687630"	1249.734476	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+H"	1.007276
"1357416"	417.249676	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H"	1.007276
"132492"	417.249676	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+2H"	2.014552
"571687"	625.370876	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+2H"	2.014552
"1040488"	209.128476	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2H"	2.014552
"205831"	278.502209333333	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+3H"	3.021828
"659830"	417.249676	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+3H"	3.021828
"1178307"	139.754742666667	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+3H"	3.021828
"438468"	850.518623	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+NH4"	18.033823
"800555"	1266.761023	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+NH4"	18.033823
"1696989"	434.276223	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+NH4"	18.033823
"344073"	425.7629495	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+H+NH4"	19.041099
"737228"	633.8841495	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+H+NH4"	19.041099
"1492267"	217.6417495	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H+NH4"	19.041099
"407865"	855.474018	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+Na"	22.989218
"768901"	1271.716418	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+Na"	22.989218
"1617728"	439.231618	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Na"	22.989218
"327033"	428.240647	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+H+Na"	23.996494
"719091"	636.361847	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+H+Na"	23.996494
"1476438"	220.119447	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H+Na"	23.996494
"1065428"	147.082056666667	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2H+Na"	25.00377
"1271935"	449.275886	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+CH3OH+H"	33.033486
"392617"	871.447958	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+K"	38.963158
"753982"	1287.690358	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+K"	38.963158
"1555023"	455.205558	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+K"	38.963158
"312470"	436.227617	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+H+K"	39.970434
"700515"	644.348817	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+H+K"	39.970434
"1451056"	228.106417	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H+K"	39.970434
"236862"	874.518626	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+ACN+H"	42.033826
"1224774"	458.276226	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+ACN+H"	42.033826
"1208421"	229.641751	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+ACN+2H"	43.041102
"203838"	877.45596	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+2Na-H"	44.97116
"643276"	1293.69836	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+2Na-H"	44.97116
"1144601"	461.21356	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2Na-H"	44.97116
"185339"	439.231618	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+2Na"	45.978436
"625992"	647.352818	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+2Na"	45.978436
"1128769"	231.110418	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2Na"	45.978436
"1411566"	154.409370666667	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H+2Na"	46.985712
"1444046"	463.255146	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H+HCOOH"	47.012746
"234835"	444.26464	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+3H2O+2H"	56.04448
"1523828"	477.30719	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+IsoProp+H"	61.06479
"422946"	447.218588	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+Na+K"	61.952376
"783578"	655.339788	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+Na+K"	61.952376
"1678085"	239.097388	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Na+K"	61.952376
"261686"	896.500568	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+ACN+Na"	64.015768
"1233666"	480.258168	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+ACN+Na"	64.015768
"1718174"	480.281693	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+NH4+HCOOH"	64.039293
"1182434"	161.736684666667	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+3Na"	68.967654
"1653421"	485.237088	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Na+HCOOH"	68.994688
"162471"	909.40384	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+2K-H"	76.91904
"611761"	1325.64624	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+2K-H"	76.91904
"1099191"	493.16144	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2K-H"	76.91904
"147744"	455.205558	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"2M+2K"	77.926316
"588399"	663.326758	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"3M+2K"	77.926316
"1079473"	247.084358	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2K"	77.926316
"1111588"	495.175992	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2K+H"	78.933592
"1343599"	495.263607	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+DMSO+H"	79.021207
"1015410"	499.302776	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2ACN+H"	83.060376
"1535724"	500.296408	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+IsoProp+Na+H"	84.054008
"1004118"	250.155026	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+2ACN+2H"	84.067652
"1601051"	501.211028	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+K+HCOOH"	84.968628
"1426709"	531.242538	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+H+CF3COOH"	115.000138
"1151530"	270.668301	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+3ACN+2H"	125.094202
"1707643"	548.269085	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+NH4+CF3COOH"	132.026685
"1642205"	553.22448	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+Na+CF3COOH"	136.98208
"1576762"	569.19842	"C16823"	"Distigmine"	"C22H32N4O4"	"416.2424"	"M+K+CF3COOH"	152.95602
"807128"	198.162	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M"	0
"985036"	179.14361	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-H2O-H"	-19.01839
"75834"	131.100724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M-3H"	-3.021828
"516125"	197.154724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M-3H"	-3.021828
"895018"	65.046724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-3H"	-3.021828
"15418"	197.154724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M-2H"	-2.014552
"454976"	296.235724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M-2H"	-2.014552
"830953"	98.073724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-2H"	-2.014552
"93499"	395.316724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M-H"	-1.007276
"533911"	593.478724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M-H"	-1.007276
"908309"	197.154724	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-H"	-1.007276
"58312"	412.343271	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M-2H+NH4"	16.019271
"496780"	610.505271	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M-2H+NH4"	16.019271
"874581"	214.181271	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-2H+NH4"	16.019271
"42480"	417.298666	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M-2H+Na"	20.974666
"483133"	615.460666	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M-2H+Na"	20.974666
"858748"	219.136666	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-2H+Na"	20.974666
"1627189"	219.136666	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Na-2H"	20.974666
"109185"	215.143063	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M-H+Cl"	33.962126
"538905"	314.224063	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M-H+Cl"	33.962126
"932422"	116.062063	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-H+Cl"	33.962126
"281793"	431.293402	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+Cl"	34.969402
"672148"	629.455402	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+Cl"	34.969402
"1281272"	233.131402	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Cl"	34.969402
"28202"	433.272606	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M-2H+K"	36.948606
"469951"	631.434606	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M-2H+K"	36.948606
"844471"	235.110606	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-2H+K"	36.948606
"1564679"	235.110606	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+K-2H"	36.948606
"955845"	243.160194	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-H+HCOOH"	44.998194
"374791"	441.322201	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+HCOOH-H"	44.998201
"360133"	455.337851	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+Hac-H"	59.013851
"1507391"	257.175851	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Hac-H"	59.013851
"962291"	265.142151	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-H+NaCOOH"	66.980151
"112293"	233.131402	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+2Cl"	69.938804
"559508"	332.212402	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+2Cl"	69.938804
"1028308"	134.050402	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2Cl"	69.938804
"1254449"	277.080885	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Br"	78.918885
"1316896"	279.136872	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Cl+HCOOH"	80.974872
"1332573"	301.118829	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Cl+NaCOOH"	102.956829
"924001"	311.147586	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M-H+CF3COOH"	112.985586
"1300346"	347.124264	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Cl+CF3COOH"	148.962264
"1378135"	163.149324	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H-2H2O"	-35.012676
"1395997"	181.1593	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H-H2O"	-17.0027
"295318"	397.331276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+H"	1.007276
"686647"	595.493276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+H"	1.007276
"1357526"	199.169276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H"	1.007276
"130415"	199.169276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+2H"	2.014552
"571433"	298.250276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+2H"	2.014552
"1040962"	100.088276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2H"	2.014552
"205211"	133.115276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+3H"	3.021828
"655722"	199.169276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+3H"	3.021828
"1177618"	67.061276	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+3H"	3.021828
"433839"	414.357823	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+NH4"	18.033823
"798114"	612.519823	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+NH4"	18.033823
"1694446"	216.195823	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+NH4"	18.033823
"344188"	207.6825495	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+H+NH4"	19.041099
"736973"	306.7635495	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+H+NH4"	19.041099
"1491520"	108.6015495	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H+NH4"	19.041099
"407647"	419.313218	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+Na"	22.989218
"769006"	617.475218	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+Na"	22.989218
"1617838"	221.151218	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Na"	22.989218
"326049"	210.160247	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+H+Na"	23.996494
"719563"	309.241247	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+H+Na"	23.996494
"1472290"	111.079247	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H+Na"	23.996494
"1066631"	74.38859	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2H+Na"	25.00377
"1271962"	231.195486	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+CH3OH+H"	33.033486
"392604"	435.287158	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+K"	38.963158
"754135"	633.449158	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+K"	38.963158
"1555380"	237.125158	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+K"	38.963158
"313672"	218.147217	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+H+K"	39.970434
"701718"	317.228217	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+H+K"	39.970434
"1450073"	119.066217	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H+K"	39.970434
"237580"	438.357826	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+ACN+H"	42.033826
"1225206"	240.195826	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+ACN+H"	42.033826
"1209253"	120.601551	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+ACN+2H"	43.041102
"202001"	441.29516	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+2Na-H"	44.97116
"643874"	639.45716	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+2Na-H"	44.97116
"1146288"	243.13316	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2Na-H"	44.97116
"186904"	221.151218	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+2Na"	45.978436
"626830"	320.232218	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+2Na"	45.978436
"1129604"	122.070218	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2Na"	45.978436
"1411675"	81.715904	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H+2Na"	46.985712
"1443791"	245.174746	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H+HCOOH"	47.012746
"234580"	226.18424	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+3H2O+2H"	56.04448
"1522277"	259.22679	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+IsoProp+H"	61.06479
"421596"	229.138188	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+Na+K"	61.952376
"782592"	328.219188	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+Na+K"	61.952376
"1676739"	130.057188	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Na+K"	61.952376
"263253"	460.339768	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+ACN+Na"	64.015768
"1232683"	262.177768	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+ACN+Na"	64.015768
"1719378"	262.201293	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+NH4+HCOOH"	64.039293
"1182544"	89.043218	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+3Na"	68.967654
"1653531"	267.156688	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Na+HCOOH"	68.994688
"159302"	473.24304	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+2K-H"	76.91904
"612443"	671.40504	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+2K-H"	76.91904
"1099179"	275.08104	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2K-H"	76.91904
"147854"	237.125158	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"2M+2K"	77.926316
"588509"	336.206158	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"3M+2K"	77.926316
"1079583"	138.044158	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2K"	77.926316
"1111698"	277.095592	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2K+H"	78.933592
"1342616"	277.183207	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+DMSO+H"	79.021207
"1015520"	281.222376	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2ACN+H"	83.060376
"1534741"	282.216008	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+IsoProp+Na+H"	84.054008
"1004349"	141.114826	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+2ACN+2H"	84.067652
"1601161"	283.130628	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+K+HCOOH"	84.968628
"1426819"	313.162138	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+H+CF3COOH"	115.000138
"1152733"	161.628101	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+3ACN+2H"	125.094202
"1707753"	330.188685	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+NH4+CF3COOH"	132.026685
"1642315"	335.14408	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+Na+CF3COOH"	136.98208
"1576872"	351.11802	"C16825"	"Neomenthyl acetate"	"C12H22O2"	"198.162"	"M+K+CF3COOH"	152.95602
"812706"	382.131	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M"	0
"986239"	363.11261	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H2O-H"	-19.01839
"76672"	253.746724	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-3H"	-3.021828
"516239"	381.123724	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-3H"	-3.021828
"895132"	126.369724	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-3H"	-3.021828
"13709"	381.123724	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H"	-2.014552
"454724"	572.189224	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H"	-2.014552
"829971"	190.058224	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H"	-2.014552
"92150"	763.254724	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-H"	-1.007276
"533656"	1145.385724	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-H"	-1.007276
"906234"	381.123724	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H"	-1.007276
"58422"	780.281271	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+NH4"	16.019271
"501265"	1162.412271	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+NH4"	16.019271
"873599"	398.150271	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+NH4"	16.019271
"42592"	785.236666	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+Na"	20.974666
"481058"	1167.367666	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+Na"	20.974666
"860680"	403.105666	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+Na"	20.974666
"1626205"	403.105666	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na-2H"	20.974666
"101641"	399.112063	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-H+Cl"	33.962126
"539015"	590.177563	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-H+Cl"	33.962126
"934718"	208.046563	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+Cl"	33.962126
"281664"	799.231402	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Cl"	34.969402
"671164"	1181.362402	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Cl"	34.969402
"1282475"	417.100402	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl"	34.969402
"27219"	801.210606	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+K"	36.948606
"470425"	1183.341606	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+K"	36.948606
"843487"	419.079606	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+K"	36.948606
"1564789"	419.079606	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K-2H"	36.948606
"955591"	427.129194	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+HCOOH"	44.998194
"375994"	809.260201	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+HCOOH-H"	44.998201
"358056"	823.275851	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Hac-H"	59.013851
"1507949"	441.144851	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Hac-H"	59.013851
"962401"	449.111151	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+NaCOOH"	66.980151
"112403"	417.100402	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Cl"	69.938804
"554151"	608.165902	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Cl"	69.938804
"1031699"	226.034902	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Cl"	69.938804
"1253465"	461.049885	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Br"	78.918885
"1313726"	463.105872	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+HCOOH"	80.974872
"1330129"	485.087829	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+NaCOOH"	102.956829
"925568"	495.116586	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+CF3COOH"	112.985586
"1302766"	531.093264	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+CF3COOH"	148.962264
"1380433"	347.118324	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H-2H2O"	-35.012676
"1397931"	365.1283	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H-H2O"	-17.0027
"295428"	765.269276	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H"	1.007276
"688581"	1147.400276	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H"	1.007276
"1358729"	383.138276	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H"	1.007276
"127608"	383.138276	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2H"	2.014552
"571179"	574.203776	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2H"	2.014552
"1040708"	192.072776	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2H"	2.014552
"205689"	255.761276	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+3H"	3.021828
"655832"	383.138276	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+3H"	3.021828
"1177970"	128.384276	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3H"	3.021828
"433220"	782.295823	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+NH4"	18.033823
"797496"	1164.426823	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+NH4"	18.033823
"1694557"	400.164823	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4"	18.033823
"342839"	391.6515495	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+NH4"	19.041099
"737448"	582.7170495	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+NH4"	19.041099
"1491874"	200.5860495	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+NH4"	19.041099
"407636"	787.251218	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Na"	22.989218
"769119"	1169.382218	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Na"	22.989218
"1616487"	405.120218	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na"	22.989218
"325066"	394.129247	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+Na"	23.996494
"715299"	585.194747	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+Na"	23.996494
"1470213"	203.063747	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+Na"	23.996494
"1064554"	135.71159	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2H+Na"	25.00377
"1262953"	415.164486	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+CH3OH+H"	33.033486
"389183"	803.225158	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+K"	38.963158
"750180"	1185.356158	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+K"	38.963158
"1555408"	421.094158	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K"	38.963158
"313905"	402.116217	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+K"	39.970434
"698548"	593.181717	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+K"	39.970434
"1449090"	211.050717	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+K"	39.970434
"237691"	806.295826	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+ACN+H"	42.033826
"1224755"	424.164826	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+H"	42.033826
"1209244"	212.586051	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+2H"	43.041102
"202478"	809.23316	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Na-H"	44.97116
"642646"	1191.36416	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Na-H"	44.97116
"1145182"	427.10216	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Na-H"	44.97116
"186651"	405.120218	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Na"	45.978436
"627304"	596.185718	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Na"	45.978436
"1128621"	214.054718	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Na"	45.978436
"1412513"	143.038904	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+2Na"	46.985712
"1445278"	429.143746	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+HCOOH"	47.012746
"235054"	410.15324	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+3H2O+2H"	56.04448
"1522021"	443.19579	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+IsoProp+H"	61.06479
"420976"	413.107188	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Na+K"	61.952376
"783071"	604.172688	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Na+K"	61.952376
"1677213"	222.041688	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+K"	61.952376
"262270"	828.277768	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+ACN+Na"	64.015768
"1237167"	446.146768	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+Na"	64.015768
"1721310"	446.170293	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4+HCOOH"	64.039293
"1185936"	150.366218	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3Na"	68.967654
"1654734"	451.125688	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+HCOOH"	68.994688
"160869"	841.18104	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2K-H"	76.91904
"612633"	1223.31204	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2K-H"	76.91904
"1098560"	459.05004	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K-H"	76.91904
"152339"	421.094158	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2K"	77.926316
"591899"	612.159658	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2K"	77.926316
"1079693"	230.028658	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K"	77.926316
"1111808"	461.064592	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K+H"	78.933592
"1346006"	461.152207	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+DMSO+H"	79.021207
"1014537"	465.191376	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2ACN+H"	83.060376
"1534851"	466.185008	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+IsoProp+Na+H"	84.054008
"1002394"	233.099326	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2ACN+2H"	84.067652
"1599085"	467.099628	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K+HCOOH"	84.968628
"1429241"	497.131138	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+CF3COOH"	115.000138
"1160499"	253.612601	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3ACN+2H"	125.094202
"1704583"	514.157685	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4+CF3COOH"	132.026685
"1635864"	519.11308	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+CF3COOH"	136.98208
"1576982"	535.08702	"C16826"	"2-cis6-trans-Farnesyl diphosphate;(2Z6E)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K+CF3COOH"	152.95602
"804068"	326.1002	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M"	0
"985256"	307.08181	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-H2O-H"	-19.01839
"77147"	216.392857333333	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M-3H"	-3.021828
"516713"	325.092924	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M-3H"	-3.021828
"894513"	107.692790666667	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-3H"	-3.021828
"14911"	325.092924	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M-2H"	-2.014552
"453375"	488.143024	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M-2H"	-2.014552
"827894"	162.042824	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-2H"	-2.014552
"91166"	651.193124	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M-H"	-1.007276
"532307"	977.293324	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M-H"	-1.007276
"907437"	325.092924	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-H"	-1.007276
"59625"	668.219671	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M-2H+NH4"	16.019271
"501011"	994.319871	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M-2H+NH4"	16.019271
"873709"	342.119471	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-2H+NH4"	16.019271
"40515"	673.175066	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M-2H+Na"	20.974666
"483356"	999.275266	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M-2H+Na"	20.974666
"858969"	347.074866	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-2H+Na"	20.974666
"1624129"	347.074866	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Na-2H"	20.974666
"102845"	343.081263	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M-H+Cl"	33.962126
"538032"	506.131363	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M-H+Cl"	33.962126
"937016"	180.031163	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-H+Cl"	33.962126
"280679"	687.169802	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+Cl"	34.969402
"674070"	1013.270002	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+Cl"	34.969402
"1281492"	361.069602	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Cl"	34.969402
"25142"	689.149006	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M-2H+K"	36.948606
"465797"	1015.249206	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M-2H+K"	36.948606
"842504"	363.048806	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-2H+K"	36.948606
"1562713"	363.048806	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+K-2H"	36.948606
"955337"	371.098394	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-H+HCOOH"	44.998194
"376104"	697.198601	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+HCOOH-H"	44.998201
"357802"	711.214251	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+Hac-H"	59.013851
"1508303"	385.114051	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Hac-H"	59.013851
"962511"	393.080351	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-H+NaCOOH"	66.980151
"112513"	361.069602	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+2Cl"	69.938804
"554261"	524.119702	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+2Cl"	69.938804
"1031809"	198.019502	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2Cl"	69.938804
"1253575"	405.019085	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Br"	78.918885
"1313836"	407.075072	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Cl+HCOOH"	80.974872
"1330239"	429.057029	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Cl+NaCOOH"	102.956829
"926043"	439.085786	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M-H+CF3COOH"	112.985586
"1302753"	475.062464	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Cl+CF3COOH"	148.962264
"1380907"	291.087524	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H-2H2O"	-35.012676
"1396217"	309.0975	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H-H2O"	-17.0027
"293351"	653.207676	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+H"	1.007276
"687232"	979.307876	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+H"	1.007276
"1365038"	327.107476	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H"	1.007276
"128811"	327.107476	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+2H"	2.014552
"571289"	490.157576	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+2H"	2.014552
"1041182"	164.057376	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2H"	2.014552
"207622"	218.407409333333	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+3H"	3.021828
"654848"	327.107476	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+3H"	3.021828
"1175403"	109.707342666667	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+3H"	3.021828
"428956"	670.234223	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+NH4"	18.033823
"796147"	996.334423	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+NH4"	18.033823
"1692479"	344.134023	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+NH4"	18.033823
"340761"	335.6207495	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+H+NH4"	19.041099
"733910"	498.6708495	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+H+NH4"	19.041099
"1488094"	172.5706495	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H+NH4"	19.041099
"406411"	675.189618	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+Na"	22.989218
"765583"	1001.289818	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+Na"	22.989218
"1614775"	349.089418	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Na"	22.989218
"326272"	338.098447	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+H+Na"	23.996494
"712129"	501.148547	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+H+Na"	23.996494
"1471417"	175.048347	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H+Na"	23.996494
"1064300"	117.034656666667	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2H+Na"	25.00377
"1263063"	359.133686	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+CH3OH+H"	33.033486
"388929"	691.163558	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+K"	38.963158
"748101"	1017.263758	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+K"	38.963158
"1553075"	365.063358	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+K"	38.963158
"311708"	346.085417	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+H+K"	39.970434
"695377"	509.135517	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+H+K"	39.970434
"1449200"	183.035317	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H+K"	39.970434
"235936"	694.234226	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+ACN+H"	42.033826
"1223654"	368.134026	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+ACN+H"	42.033826
"1208867"	184.570651	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+ACN+2H"	43.041102
"199306"	697.17156	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+2Na-H"	44.97116
"639595"	1023.27176	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+2Na-H"	44.97116
"1144926"	371.07136	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2Na-H"	44.97116
"184935"	349.089418	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+2Na"	45.978436
"625222"	512.139518	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+2Na"	45.978436
"1126906"	186.039318	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2Na"	45.978436
"1410433"	124.361970666667	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H+2Na"	46.985712
"1443282"	373.112946	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H+HCOOH"	47.012746
"231513"	354.12244	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+3H2O+2H"	56.04448
"1519939"	387.16499	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+IsoProp+H"	61.06479
"419626"	357.076388	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+Na+K"	61.952376
"783181"	520.126488	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+Na+K"	61.952376
"1679148"	194.026288	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Na+K"	61.952376
"261652"	716.216168	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+ACN+Na"	64.015768
"1235090"	390.115968	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+ACN+Na"	64.015768
"1717415"	390.139493	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+NH4+HCOOH"	64.039293
"1184954"	131.689284666667	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+3Na"	68.967654
"1654847"	395.094888	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Na+HCOOH"	68.994688
"159885"	729.11944	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+2K-H"	76.91904
"612094"	1055.21964	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+2K-H"	76.91904
"1098670"	403.01924	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2K-H"	76.91904
"151356"	365.063358	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"2M+2K"	77.926316
"590915"	528.113458	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"3M+2K"	77.926316
"1079803"	202.013258	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2K"	77.926316
"1111918"	405.033792	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2K+H"	78.933592
"1347210"	405.121407	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+DMSO+H"	79.021207
"1014647"	409.160576	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2ACN+H"	83.060376
"1537148"	410.154208	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+IsoProp+Na+H"	84.054008
"1004569"	205.083926	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+2ACN+2H"	84.067652
"1600290"	411.068828	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+K+HCOOH"	84.968628
"1428747"	441.100338	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+H+CF3COOH"	115.000138
"1162433"	225.597201	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+3ACN+2H"	125.094202
"1704693"	458.126885	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+NH4+CF3COOH"	132.026685
"1642535"	463.08228	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+Na+CF3COOH"	136.98208
"1577092"	479.05622	"C16827"	"p-Coumaroyl-D-glucose;1-O-(4-Coumaroyl)-beta-D-glucose;1-O-(4-Hydroxycinnamoyl)-beta-D-glucose"	"C15H18O8"	"326.1002"	"M+K+CF3COOH"	152.95602
"804178"	178.0266	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M"	0
"985366"	159.00821	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-H2O-H"	-19.01839
"76528"	117.677124	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M-3H"	-3.021828
"515361"	177.019324	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M-3H"	-3.021828
"892070"	58.334924	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-3H"	-3.021828
"13927"	177.019324	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M-2H"	-2.014552
"452390"	266.032624	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M-2H"	-2.014552
"826911"	88.006024	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-2H"	-2.014552
"91276"	355.045924	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M-H"	-1.007276
"532295"	533.072524	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M-H"	-1.007276
"905359"	177.019324	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-H"	-1.007276
"58642"	372.072471	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M-2H+NH4"	16.019271
"497110"	550.099071	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M-2H+NH4"	16.019271
"873818"	194.045871	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-2H+NH4"	16.019271
"38437"	377.027866	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M-2H+Na"	20.974666
"477998"	555.054466	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M-2H+Na"	20.974666
"850332"	199.001266	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-2H+Na"	20.974666
"1624238"	199.001266	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Na-2H"	20.974666
"97487"	195.007663	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M-H+Cl"	33.962126
"534265"	284.020963	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M-H+Cl"	33.962126
"927193"	105.994363	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-H+Cl"	33.962126
"268391"	391.022602	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+Cl"	34.969402
"664822"	569.049202	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+Cl"	34.969402
"1278321"	212.996002	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Cl"	34.969402
"16167"	393.001806	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M-2H+K"	36.948606
"460437"	571.028406	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M-2H+K"	36.948606
"834959"	214.975206	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-2H+K"	36.948606
"1557355"	214.975206	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+K-2H"	36.948606
"955447"	223.024794	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-H+HCOOH"	44.998194
"375850"	401.051401	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+HCOOH-H"	44.998201
"357912"	415.067051	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+Hac-H"	59.013851
"1507110"	237.040451	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Hac-H"	59.013851
"961892"	245.006751	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-H+NaCOOH"	66.980151
"112987"	212.996002	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+2Cl"	69.938804
"554370"	302.009302	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+2Cl"	69.938804
"1026450"	123.982702	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2Cl"	69.938804
"1246029"	256.945485	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Br"	78.918885
"1309570"	259.001472	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Cl+HCOOH"	80.974872
"1329256"	280.983429	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Cl+NaCOOH"	102.956829
"926030"	291.012186	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M-H+CF3COOH"	112.985586
"1303591"	326.988864	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Cl+CF3COOH"	148.962264
"1379558"	143.013924	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H-2H2O"	-35.012676
"1396691"	161.0239	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H-H2O"	-17.0027
"292368"	357.060476	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+H"	1.007276
"686977"	535.087076	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+H"	1.007276
"1358949"	179.033876	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H"	1.007276
"126369"	179.033876	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+2H"	2.014552
"571399"	268.047176	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+2H"	2.014552
"1041293"	90.020576	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2H"	2.014552
"206639"	119.691676	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+3H"	3.021828
"656051"	179.033876	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+3H"	3.021828
"1174540"	60.349476	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+3H"	3.021828
"429066"	374.087023	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+NH4"	18.033823
"797350"	552.113623	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+NH4"	18.033823
"1692589"	196.060423	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+NH4"	18.033823
"341599"	187.5471495	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+H+NH4"	19.041099
"734748"	276.5604495	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+H+NH4"	19.041099
"1488568"	98.5338495	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H+NH4"	19.041099
"406521"	379.042418	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+Na"	22.989218
"766057"	557.069018	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+Na"	22.989218
"1614885"	201.015818	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Na"	22.989218
"326746"	190.024847	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+H+Na"	23.996494
"713332"	279.038147	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+H+Na"	23.996494
"1472256"	101.011547	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H+Na"	23.996494
"1064410"	67.67679	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2H+Na"	25.00377
"1263173"	211.060086	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+CH3OH+H"	33.033486
"389039"	395.016358	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+K"	38.963158
"748211"	573.042958	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+K"	38.963158
"1552093"	216.989758	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+K"	38.963158
"311451"	198.011817	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+H+K"	39.970434
"695487"	287.025117	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+H+K"	39.970434
"1448217"	108.998517	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H+K"	39.970434
"237179"	398.087026	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+ACN+H"	42.033826
"1222301"	220.060426	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+ACN+H"	42.033826
"1207276"	110.533851	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+ACN+2H"	43.041102
"197230"	401.02436	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+2Na-H"	44.97116
"638975"	579.05096	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+2Na-H"	44.97116
"1142119"	222.99776	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2Na-H"	44.97116
"185408"	201.015818	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+2Na"	45.978436
"622052"	290.029118	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+2Na"	45.978436
"1125558"	112.002518	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2Na"	45.978436
"1409448"	75.004104	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H+2Na"	46.985712
"1442294"	225.039346	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H+HCOOH"	47.012746
"230528"	206.04884	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+3H2O+2H"	56.04448
"1520047"	239.09139	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+IsoProp+H"	61.06479
"419371"	209.002788	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+Na+K"	61.952376
"782196"	298.016088	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+Na+K"	61.952376
"1676700"	119.989488	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Na+K"	61.952376
"255928"	420.068968	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+ACN+Na"	64.015768
"1229731"	242.042368	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+ACN+Na"	64.015768
"1715338"	242.065893	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+NH4+HCOOH"	64.039293
"1179597"	82.331418	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+3Na"	68.967654
"1651676"	247.021288	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Na+HCOOH"	68.994688
"158659"	432.97224	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+2K-H"	76.91904
"611229"	610.99884	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+2K-H"	76.91904
"1097808"	254.94564	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2K-H"	76.91904
"156448"	216.989758	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"2M+2K"	77.926316
"586651"	306.003058	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"3M+2K"	77.926316
"1076633"	127.976458	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2K"	77.926316
"1112028"	256.960192	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2K+H"	78.933592
"1345133"	257.047807	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+DMSO+H"	79.021207
"1010383"	261.086976	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2ACN+H"	83.060376
"1531791"	262.080608	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+IsoProp+Na+H"	84.054008
"1001520"	131.047126	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+2ACN+2H"	84.067652
"1599306"	262.995228	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+K+HCOOH"	84.968628
"1427521"	293.026738	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+H+CF3COOH"	115.000138
"1161694"	151.560401	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+3ACN+2H"	125.094202
"1704803"	310.053285	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+NH4+CF3COOH"	132.026685
"1642645"	315.00868	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+Na+CF3COOH"	136.98208
"1577202"	330.98262	"C16828"	"Caffeoquinone;Caffeic acid quinone"	"C9H6O4"	"178.0266"	"M+K+CF3COOH"	152.95602
"804288"	204.1878	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M"	0
"984383"	185.16941	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"77614"	135.117924	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517294"	203.180524	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892180"	67.055324	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14401"	203.180524	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454322"	305.274424	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"825928"	101.086624	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"90292"	407.368324	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533865"	611.556124	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"902188"	203.180524	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"55472"	424.394871	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"496127"	628.582671	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"872834"	220.207071	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37452"	429.350266	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"478106"	633.538066	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"852628"	225.162466	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1625441"	225.162466	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101969"	221.168863	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"535088"	323.262763	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"928480"	119.074963	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268127"	443.345002	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664933"	647.532802	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280618"	239.157202	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"16080"	445.324206	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459454"	649.512006	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"835433"	241.136406	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1556002"	241.136406	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"954828"	249.185994	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"376776"	453.373801	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360453"	467.389451	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507587"	263.201651	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"962730"	271.167951	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"113097"	239.157202	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554844"	341.251102	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1028747"	137.063302	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1246503"	283.106685	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309681"	285.162672	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331554"	307.144629	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921883"	317.173386	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1300049"	353.150064	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1379668"	169.175124	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1391697"	187.1851	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"294665"	409.382876	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"687087"	613.570676	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360153"	205.195076	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128302"	205.195076	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570414"	307.288976	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041403"	103.101176	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"205656"	137.132476	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"655434"	205.195076	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1175015"	69.069876	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431363"	426.409423	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"795638"	630.597223	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1688688"	222.221623	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"344260"	213.7083495	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"734858"	315.8022495	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1484304"	111.6144495	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"408251"	431.364818	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"766166"	635.552618	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1615358"	227.177018	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"326489"	216.186047	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"712349"	318.279947	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1472366"	114.092147	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1064520"	76.39719	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1262190"	237.221286	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"388420"	447.338758	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"748321"	651.526558	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1555318"	243.150958	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+K"	38.963158
"311561"	224.173017	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"696690"	326.266917	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1449420"	122.079117	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"238747"	450.409426	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1223865"	246.221626	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207385"	123.614451	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"200620"	453.34676	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"639085"	657.53456	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1143322"	249.15896	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"184789"	227.177018	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623255"	329.270918	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1125668"	125.083118	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1408099"	83.724504	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1440946"	251.200546	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"227722"	232.21004	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1520157"	265.25259	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"418752"	235.163988	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"780847"	337.257888	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1676081"	133.070088	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"258225"	472.391368	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230935"	268.203568	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714718"	268.227093	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1182987"	91.051818	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652879"	273.182488	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"158283"	485.29464	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"611218"	689.48244	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1099465"	281.10684	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"156565"	243.150958	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"591135"	345.244858	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1076743"	141.057058	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1105577"	283.121392	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347430"	283.209007	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1012680"	287.248176	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531901"	288.241808	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001629"	144.127726	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1601241"	289.156428	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1428357"	319.187938	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1160829"	164.641001	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1708193"	336.214485	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1642755"	341.16988	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1577312"	357.14382	"C16829"	"gamma-Humulene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804399"	218.1055	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M"	0
"982307"	199.08711	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-H2O-H"	-19.01839
"77111"	144.396390666667	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M-3H"	-3.021828
"516675"	217.098224	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M-3H"	-3.021828
"895086"	71.6945573333333	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-3H"	-3.021828
"15159"	217.098224	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M-2H"	-2.014552
"452611"	326.150974	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M-2H"	-2.014552
"829318"	108.045474	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-2H"	-2.014552
"89309"	435.203724	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M-H"	-1.007276
"530698"	653.309224	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M-H"	-1.007276
"903398"	217.098224	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-H"	-1.007276
"54492"	452.230271	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M-2H+NH4"	16.019271
"498425"	670.335771	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M-2H+NH4"	16.019271
"871851"	234.124771	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-2H+NH4"	16.019271
"39751"	457.185666	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M-2H+Na"	20.974666
"479309"	675.291166	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M-2H+Na"	20.974666
"858203"	239.080166	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-2H+Na"	20.974666
"1629923"	239.080166	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Na-2H"	20.974666
"96249"	235.086563	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M-H+Cl"	33.962126
"536897"	344.139313	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M-H+Cl"	33.962126
"928591"	126.033813	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-H+Cl"	33.962126
"268604"	471.180402	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+Cl"	34.969402
"662846"	689.285902	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+Cl"	34.969402
"1275251"	253.074902	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Cl"	34.969402
"17080"	473.159606	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M-2H+K"	36.948606
"458104"	691.265106	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M-2H+K"	36.948606
"835178"	255.054106	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-2H+K"	36.948606
"1559763"	255.054106	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+K-2H"	36.948606
"954210"	263.103694	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-H+HCOOH"	44.998194
"375342"	481.209201	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+HCOOH-H"	44.998201
"356308"	495.224851	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+Hac-H"	59.013851
"1498583"	277.119351	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Hac-H"	59.013851
"963206"	285.085651	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-H+NaCOOH"	66.980151
"113936"	253.074902	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+2Cl"	69.938804
"553861"	362.127652	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+2Cl"	69.938804
"1025942"	144.022152	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2Cl"	69.938804
"1246614"	297.024385	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Br"	78.918885
"1311980"	299.080372	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Cl+HCOOH"	80.974872
"1325464"	321.062329	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Cl+NaCOOH"	102.956829
"923452"	331.091086	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M-H+CF3COOH"	112.985586
"1303808"	367.067764	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Cl+CF3COOH"	148.962264
"1380511"	183.092824	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H-2H2O"	-35.012676
"1395821"	201.1028	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H-H2O"	-17.0027
"295870"	437.218276	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+H"	1.007276
"687197"	655.323776	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+H"	1.007276
"1361357"	219.112776	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H"	1.007276
"128778"	219.112776	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+2H"	2.014552
"574903"	328.165526	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+2H"	2.014552
"1043702"	110.060026	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2H"	2.014552
"209419"	146.410942666667	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+3H"	3.021828
"646789"	219.112776	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+3H"	3.021828
"1170387"	73.7091093333333	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+3H"	3.021828
"429287"	454.244823	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+NH4"	18.033823
"792470"	672.350323	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+NH4"	18.033823
"1686614"	236.139323	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+NH4"	18.033823
"335985"	227.6260495	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+H+NH4"	19.041099
"730595"	336.6787995	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+H+NH4"	19.041099
"1482228"	118.5732995	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H+NH4"	19.041099
"398720"	459.200218	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+Na"	22.989218
"758622"	677.305718	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+Na"	22.989218
"1615470"	241.094718	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Na"	22.989218
"325508"	230.103747	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+H+Na"	23.996494
"717928"	339.156497	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+H+Na"	23.996494
"1468466"	121.050997	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H+Na"	23.996494
"1064997"	81.0364233333333	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2H+Na"	25.00377
"1271780"	251.138986	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+CH3OH+H"	33.033486
"391811"	475.174158	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+K"	38.963158
"751713"	693.279658	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+K"	38.963158
"1553403"	257.068658	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+K"	38.963158
"307661"	238.090717	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+H+K"	39.970434
"698993"	347.143467	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+H+K"	39.970434
"1450627"	129.037967	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H+K"	39.970434
"249446"	478.244826	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+ACN+H"	42.033826
"1220697"	260.139326	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+ACN+H"	42.033826
"1203486"	130.573301	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+ACN+2H"	43.041102
"198544"	481.18216	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+2Na-H"	44.97116
"641751"	699.28766	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+2Na-H"	44.97116
"1142704"	263.07666	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2Na-H"	44.97116
"182715"	241.094718	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+2Na"	45.978436
"624100"	350.147468	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+2Na"	45.978436
"1130160"	132.041968	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2Na"	45.978436
"1411130"	88.3637373333333	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H+2Na"	46.985712
"1441786"	265.118246	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H+HCOOH"	47.012746
"230020"	246.12774	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+3H2O+2H"	56.04448
"1522094"	279.17029	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+IsoProp+H"	61.06479
"423237"	249.081688	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+Na+K"	61.952376
"774397"	358.134438	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+Na+K"	61.952376
"1669632"	140.028938	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Na+K"	61.952376
"255058"	500.226768	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+ACN+Na"	64.015768
"1226667"	282.121268	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+ACN+Na"	64.015768
"1715188"	282.144793	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+NH4+HCOOH"	64.039293
"1180180"	95.6910513333333	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+3Na"	68.967654
"1651531"	287.100188	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Na+HCOOH"	68.994688
"171771"	513.13004	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+2K-H"	76.91904
"612061"	731.23554	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+2K-H"	76.91904
"1095963"	295.02454	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2K-H"	76.91904
"148407"	257.068658	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"2M+2K"	77.926316
"586871"	366.121408	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"3M+2K"	77.926316
"1074665"	148.015908	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2K"	77.926316
"1107874"	297.039092	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2K+H"	78.933592
"1339887"	297.126707	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+DMSO+H"	79.021207
"1012793"	301.165876	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2ACN+H"	83.060376
"1536387"	302.159508	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+IsoProp+Na+H"	84.054008
"1001741"	151.086576	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+2ACN+2H"	84.067652
"1599523"	303.074128	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+K+HCOOH"	84.968628
"1427370"	333.105638	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+H+CF3COOH"	115.000138
"1157661"	171.599851	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+3ACN+2H"	125.094202
"1701748"	350.132185	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+NH4+CF3COOH"	132.026685
"1639586"	355.08758	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+Na+CF3COOH"	136.98208
"1574143"	371.06152	"C16831"	"L-2-Methyltryptophan;2-Methyl-L-tryptophan"	"C12H14N2O2"	"218.1055"	"M+K+CF3COOH"	152.95602
"816735"	914.1836	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M"	0
"989564"	895.16521	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-H2O-H"	-19.01839
"72847"	608.448457333333	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M-3H"	-3.021828
"516784"	913.176324	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M-3H"	-3.021828
"890213"	303.720590666667	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-3H"	-3.021828
"9879"	913.176324	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M-2H"	-2.014552
"452719"	1370.268124	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M-2H"	-2.014552
"829429"	456.084524	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-2H"	-2.014552
"88330"	1827.359924	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M-H"	-1.007276
"527890"	2741.543524	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M-H"	-1.007276
"902413"	913.176324	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-H"	-1.007276
"56787"	1844.386471	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M-2H+NH4"	16.019271
"497440"	2758.570071	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M-2H+NH4"	16.019271
"876333"	930.202871	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-2H+NH4"	16.019271
"43868"	1849.341866	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M-2H+Na"	20.974666
"478329"	2763.525466	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M-2H+Na"	20.974666
"859411"	935.158266	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-2H+Na"	20.974666
"1622386"	935.158266	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Na-2H"	20.974666
"95996"	931.164663	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M-H+Cl"	33.962126
"536040"	1388.256463	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M-H+Cl"	33.962126
"930163"	474.072863	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-H+Cl"	33.962126
"271638"	1863.336602	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+Cl"	34.969402
"668434"	2777.520202	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+Cl"	34.969402
"1274399"	949.153002	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Cl"	34.969402
"19022"	1865.315806	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M-2H+K"	36.948606
"461863"	2779.499406	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M-2H+K"	36.948606
"839665"	951.132206	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-2H+K"	36.948606
"1567894"	951.132206	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+K-2H"	36.948606
"953955"	959.181794	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-H+HCOOH"	44.998194
"376389"	1873.365401	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+HCOOH-H"	44.998201
"353143"	1887.381051	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+Hac-H"	59.013851
"1504161"	973.197451	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Hac-H"	59.013851
"967326"	981.163751	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-H+NaCOOH"	66.980151
"116235"	949.153002	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+2Cl"	69.938804
"560170"	1406.244802	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+2Cl"	69.938804
"1034806"	492.061202	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2Cl"	69.938804
"1254018"	993.102485	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Br"	78.918885
"1318290"	995.158472	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Cl+HCOOH"	80.974872
"1333605"	1017.140429	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Cl+NaCOOH"	102.956829
"925393"	1027.169186	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M-H+CF3COOH"	112.985586
"1303886"	1063.145864	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Cl+CF3COOH"	148.962264
"1382701"	879.170924	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H-2H2O"	-35.012676
"1398208"	897.1809	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H-H2O"	-17.0027
"298378"	1829.374476	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+H"	1.007276
"689862"	2743.558076	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+H"	1.007276
"1362199"	915.190876	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H"	1.007276
"140924"	915.190876	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+2H"	2.014552
"580121"	1372.282676	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+2H"	2.014552
"1048923"	458.099076	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2H"	2.014552
"216823"	610.463009333333	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+3H"	3.021828
"651279"	915.190876	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+3H"	3.021828
"1170500"	305.735142666667	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+3H"	3.021828
"434867"	1846.401023	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+NH4"	18.033823
"796591"	2760.584623	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+NH4"	18.033823
"1688911"	932.217423	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+NH4"	18.033823
"344117"	923.7041495	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+H+NH4"	19.041099
"733986"	1380.7959495	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+H+NH4"	19.041099
"1485618"	466.6123495	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H+NH4"	19.041099
"405027"	1851.356418	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+Na"	22.989218
"766393"	2765.540018	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+Na"	22.989218
"1615584"	937.172818	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Na"	22.989218
"328779"	926.181847	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+H+Na"	23.996494
"718040"	1383.273647	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+H+Na"	23.996494
"1475148"	469.090047	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H+Na"	23.996494
"1068121"	313.062456666667	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2H+Na"	25.00377
"1272388"	947.217086	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+CH3OH+H"	33.033486
"392781"	1867.330358	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+K"	38.963158
"753978"	2781.513958	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+K"	38.963158
"1555343"	953.146758	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+K"	38.963158
"312152"	934.168817	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+H+K"	39.970434
"704575"	1391.260617	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+H+K"	39.970434
"1458400"	477.077017	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H+K"	39.970434
"250160"	1870.401026	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+ACN+H"	42.033826
"1220805"	956.217426	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+ACN+H"	42.033826
"1204690"	478.612351	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+ACN+2H"	43.041102
"201571"	1873.33836	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+2Na-H"	44.97116
"643976"	2787.52196	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+2Na-H"	44.97116
"1146100"	959.15476	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2Na-H"	44.97116
"186473"	937.172818	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+2Na"	45.978436
"626034"	1394.264618	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+2Na"	45.978436
"1124800"	480.081018	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2Na"	45.978436
"1413065"	320.389770666667	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H+2Na"	46.985712
"1442991"	961.196346	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H+HCOOH"	47.012746
"235412"	942.20584	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+3H2O+2H"	56.04448
"1521478"	975.24839	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+IsoProp+H"	61.06479
"416790"	945.159788	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+Na+K"	61.952376
"781064"	1402.251588	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+Na+K"	61.952376
"1675206"	488.067988	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Na+K"	61.952376
"258443"	1892.382968	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+ACN+Na"	64.015768
"1233340"	978.199368	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+ACN+Na"	64.015768
"1717858"	978.222893	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+NH4+HCOOH"	64.039293
"1183212"	327.717084666667	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+3Na"	68.967654
"1664049"	983.178288	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Na+HCOOH"	68.994688
"169816"	1905.28624	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+2K-H"	76.91904
"612575"	2819.46984	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+2K-H"	76.91904
"1091703"	991.10264	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2K-H"	76.91904
"149612"	953.146758	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"2M+2K"	77.926316
"594639"	1410.238558	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"3M+2K"	77.926316
"1076964"	496.054958	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2K"	77.926316
"1105801"	993.117192	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2K+H"	78.933592
"1348748"	993.204807	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+DMSO+H"	79.021207
"1012905"	997.243976	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2ACN+H"	83.060376
"1533217"	998.237608	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+IsoProp+Na+H"	84.054008
"996384"	499.125626	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+2ACN+2H"	84.067652
"1593074"	999.152228	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+K+HCOOH"	84.968628
"1420922"	1029.183738	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+H+CF3COOH"	115.000138
"1153402"	519.638901	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+3ACN+2H"	125.094202
"1699672"	1046.210285	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+NH4+CF3COOH"	132.026685
"1642977"	1051.16568	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+Na+CF3COOH"	136.98208
"1576440"	1067.13962	"C16833"	"beta-Phenylalanoyl-CoA;(R)-beta-Phenylalanoyl-CoA;(R)-3-Amino-3-phenylpropanoyl-CoA;Amino phenylpropanoyl-CoA"	"C30H45N8O17P3S"	"914.1836"	"M+K+CF3COOH"	152.95602
"817073"	88.0888	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M"	0
"989753"	69.07041	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-H2O-H"	-19.01839
"78483"	57.7185906666667	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M-3H"	-3.021828
"518408"	87.081524	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M-3H"	-3.021828
"895431"	28.3556573333333	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-3H"	-3.021828
"15262"	87.081524	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M-2H"	-2.014552
"453566"	131.125924	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M-2H"	-2.014552
"831728"	43.037124	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-2H"	-2.014552
"92454"	175.170324	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M-H"	-1.007276
"526909"	263.259124	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M-H"	-1.007276
"907991"	87.081524	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-H"	-1.007276
"57992"	192.196871	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M-2H+NH4"	16.019271
"498644"	280.285671	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M-2H+NH4"	16.019271
"877172"	104.108071	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-2H+NH4"	16.019271
"39969"	197.152266	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M-2H+Na"	20.974666
"478438"	285.241066	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M-2H+Na"	20.974666
"856238"	109.063466	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-2H+Na"	20.974666
"1625777"	109.063466	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Na-2H"	20.974666
"99025"	105.069863	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M-H+Cl"	33.962126
"536395"	149.114263	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M-H+Cl"	33.962126
"930638"	61.025463	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-H+Cl"	33.962126
"271748"	211.147002	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+Cl"	34.969402
"665264"	299.235802	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+Cl"	34.969402
"1274752"	123.058202	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Cl"	34.969402
"19132"	213.126206	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M-2H+K"	36.948606
"461973"	301.215006	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M-2H+K"	36.948606
"841962"	125.037406	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-2H+K"	36.948606
"1568368"	125.037406	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+K-2H"	36.948606
"957713"	133.086994	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-H+HCOOH"	44.998194
"376781"	221.175801	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+HCOOH-H"	44.998201
"359815"	235.191451	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+Hac-H"	59.013851
"1506459"	147.102651	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Hac-H"	59.013851
"969624"	155.068951	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-H+NaCOOH"	66.980151
"115251"	123.058202	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+2Cl"	69.938804
"560280"	167.102602	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+2Cl"	69.938804
"1034187"	79.013802	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2Cl"	69.938804
"1254128"	167.007685	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Br"	78.918885
"1315483"	169.063672	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Cl+HCOOH"	80.974872
"1334323"	191.045629	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Cl+NaCOOH"	102.956829
"926598"	201.074386	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M-H+CF3COOH"	112.985586
"1304098"	237.051064	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Cl+CF3COOH"	148.962264
"1382683"	53.076124	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H-2H2O"	-35.012676
"1398423"	71.0861	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H-H2O"	-17.0027
"298468"	177.184876	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+H"	1.007276
"689972"	265.273676	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+H"	1.007276
"1363766"	89.096076	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H"	1.007276
"141377"	89.096076	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+2H"	2.014552
"579865"	133.140476	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+2H"	2.014552
"1051226"	45.051676	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2H"	2.014552
"218395"	59.7331426666667	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+3H"	3.021828
"653576"	89.096076	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+3H"	3.021828
"1170610"	30.3702093333333	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+3H"	3.021828
"438991"	194.211423	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+NH4"	18.033823
"799619"	282.300223	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+NH4"	18.033823
"1689022"	106.122623	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+NH4"	18.033823
"343864"	97.6093495	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+H+NH4"	19.041099
"730814"	141.6537495	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+H+NH4"	19.041099
"1484635"	53.5649495	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H+NH4"	19.041099
"402222"	199.166818	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+Na"	22.989218
"765410"	287.255618	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+Na"	22.989218
"1613508"	111.078018	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Na"	22.989218
"325730"	100.087047	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+H+Na"	23.996494
"717057"	144.131447	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+H+Na"	23.996494
"1476802"	56.042647	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H+Na"	23.996494
"1068137"	37.6975233333333	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2H+Na"	25.00377
"1272494"	121.122286	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+CH3OH+H"	33.033486
"392522"	215.140758	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+K"	38.963158
"753601"	303.229558	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+K"	38.963158
"1554357"	127.051958	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+K"	38.963158
"312992"	108.074017	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+H+K"	39.970434
"705415"	152.118417	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+H+K"	39.970434
"1458879"	64.029617	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H+K"	39.970434
"247483"	218.211426	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+ACN+H"	42.033826
"1223106"	130.122626	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+ACN+H"	42.033826
"1206989"	65.564951	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+ACN+2H"	43.041102
"201319"	221.14876	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+2Na-H"	44.97116
"643679"	309.23756	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+2Na-H"	44.97116
"1146581"	133.05996	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2Na-H"	44.97116
"188293"	111.078018	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+2Na"	45.978436
"627726"	155.122418	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+2Na"	45.978436
"1131108"	67.033618	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2Na"	45.978436
"1413903"	45.0248373333333	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H+2Na"	46.985712
"1444562"	135.101546	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H+HCOOH"	47.012746
"234503"	116.11104	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+3H2O+2H"	56.04448
"1520494"	149.15359	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+IsoProp+H"	61.06479
"420184"	119.064988	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+Na+K"	61.952376
"782272"	163.109388	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+Na+K"	61.952376
"1676415"	75.020588	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Na+K"	61.952376
"260741"	240.193368	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+ACN+Na"	64.015768
"1232360"	152.104568	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+ACN+Na"	64.015768
"1716146"	152.128093	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+NH4+HCOOH"	64.039293
"1180770"	52.3521513333333	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+3Na"	68.967654
"1665498"	157.083488	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Na+HCOOH"	68.994688
"172114"	253.09664	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+2K-H"	76.91904
"610578"	341.18544	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+2K-H"	76.91904
"1091810"	165.00784	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2K-H"	76.91904
"153002"	127.051958	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"2M+2K"	77.926316
"594749"	171.096358	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"3M+2K"	77.926316
"1080354"	83.007558	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2K"	77.926316
"1107004"	167.022392	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2K+H"	78.933592
"1348858"	167.110007	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+DMSO+H"	79.021207
"1013015"	171.149176	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2ACN+H"	83.060376
"1533328"	172.142808	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+IsoProp+Na+H"	84.054008
"1001962"	86.078226	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+2ACN+2H"	84.067652
"1599745"	173.057428	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+K+HCOOH"	84.968628
"1421032"	203.088938	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+H+CF3COOH"	115.000138
"1154606"	106.591501	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+3ACN+2H"	125.094202
"1703062"	220.115485	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+NH4+CF3COOH"	132.026685
"1637619"	225.07088	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+Na+CF3COOH"	136.98208
"1576550"	241.04482	"C16834"	"1-Pentanol"	"C5H12O"	"88.0888"	"M+K+CF3COOH"	152.95602
"815667"	86.0368	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M"	0
"988962"	67.01841	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"77892"	56.3505906666667	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"518431"	85.029524	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"895490"	27.6716573333333	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"15209"	85.029524	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"454286"	128.047924	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"831839"	42.011124	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"92566"	171.066324	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"524832"	257.103124	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"908101"	85.029524	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"60655"	188.092871	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"497661"	274.129671	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"874367"	102.056071	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"42266"	193.048266	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"481829"	279.085066	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"855256"	107.011466	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1626981"	107.011466	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"102415"	103.017863	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"535777"	146.036263	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"929291"	59.999463	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"277327"	207.043002	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"665374"	293.079802	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1278871"	121.006202	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"18149"	209.022206	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"463178"	295.059006	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"837699"	122.985406	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1566290"	122.985406	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"955636"	131.034994	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"375919"	217.071801	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"356641"	231.087451	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1501099"	145.050651	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"964265"	153.016951	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"117547"	121.006202	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"552005"	164.024602	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1029190"	77.987802	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1249133"	164.955685	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1311217"	167.011672	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1334672"	188.993629	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"926588"	199.022386	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1304107"	234.999064	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1382185"	51.024124	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1397246"	69.0341	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"295108"	173.080876	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"687527"	259.117676	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1359501"	87.044076	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"138227"	87.044076	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"579247"	130.062476	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1050965"	44.025676	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"216677"	58.3651426666667	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"651497"	87.044076	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1165252"	29.6862093333333	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"434723"	190.107423	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"797175"	276.144223	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1686945"	104.070623	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"342879"	95.5573495	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"729831"	138.5757495	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1483652"	52.5389495	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"401238"	195.062818	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"766613"	281.099618	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1614711"	109.026018	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"324381"	98.035047	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"716801"	141.053447	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1475612"	55.016647	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1066303"	37.0135233333333	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1271263"	119.070286	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"391902"	211.036758	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"752901"	297.073558	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1555319"	124.999958	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"313225"	106.022017	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"706133"	149.040417	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1460693"	63.003617	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"250149"	214.107426	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1225404"	128.070626	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1209615"	64.538951	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"202772"	217.04476	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"642942"	303.08156	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1147014"	131.00796	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"188536"	109.026018	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"628368"	152.044418	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1131256"	66.007618	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1412561"	44.3408373333333	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1445204"	133.049546	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"235641"	114.05904	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1522432"	147.10159	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"423577"	117.012988	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"784572"	160.031388	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1677255"	73.994588	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"261949"	236.089368	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1232472"	150.052568	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1725735"	150.076093	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1185621"	51.6681513333333	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1665330"	155.031488	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"172470"	248.99264	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"612150"	335.02944	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1099334"	162.95584	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"157114"	124.999958	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"595710"	168.018358	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1082530"	81.981558	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1115256"	164.970392	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1349579"	165.058007	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1020175"	169.097176	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1538785"	170.090808	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"1004259"	85.052226	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1602042"	171.005428	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1428435"	201.036938	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1153622"	105.565501	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1707547"	218.063485	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1636635"	223.01888	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1576660"	238.99282	"C16835"	"Succinic aldehyde;Succindialdehyde"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"813590"	212.1525	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M"	0
"986758"	193.13411	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-H2O-H"	-19.01839
"72084"	140.427724	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M-3H"	-3.021828
"518255"	211.145224	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M-3H"	-3.021828
"893825"	69.710224	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-3H"	-3.021828
"14222"	211.145224	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M-2H"	-2.014552
"453423"	317.221474	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M-2H"	-2.014552
"830856"	105.068974	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-2H"	-2.014552
"91578"	423.297724	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M-H"	-1.007276
"522755"	635.450224	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M-H"	-1.007276
"904933"	211.145224	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-H"	-1.007276
"57118"	440.324271	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M-2H+NH4"	16.019271
"496677"	652.476771	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M-2H+NH4"	16.019271
"873385"	228.171771	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-2H+NH4"	16.019271
"35818"	445.279666	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M-2H+Na"	20.974666
"476471"	657.432166	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M-2H+Na"	20.974666
"857552"	233.127166	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-2H+Na"	20.974666
"1623809"	233.127166	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Na-2H"	20.974666
"100337"	229.133563	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M-H+Cl"	33.962126
"534915"	335.209813	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M-H+Cl"	33.962126
"927696"	123.057313	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-H+Cl"	33.962126
"267426"	459.274402	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+Cl"	34.969402
"660615"	671.426902	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+Cl"	34.969402
"1272800"	247.121902	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Cl"	34.969402
"16230"	461.253606	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M-2H+K"	36.948606
"456277"	673.406106	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M-2H+K"	36.948606
"833146"	249.101106	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-2H+K"	36.948606
"1558016"	249.101106	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+K-2H"	36.948606
"955016"	257.150694	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-H+HCOOH"	44.998194
"370677"	469.303201	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+HCOOH-H"	44.998201
"356751"	483.318851	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+Hac-H"	59.013851
"1500116"	271.166351	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Hac-H"	59.013851
"964375"	279.132651	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-H+NaCOOH"	66.980151
"112553"	247.121902	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+2Cl"	69.938804
"550531"	353.198152	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+2Cl"	69.938804
"1023830"	141.045652	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2Cl"	69.938804
"1245232"	291.071385	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Br"	78.918885
"1308773"	293.127372	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Cl+HCOOH"	80.974872
"1326638"	315.109329	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Cl+NaCOOH"	102.956829
"926328"	325.138086	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M-H+CF3COOH"	112.985586
"1303732"	361.114764	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Cl+CF3COOH"	148.962264
"1382053"	177.139824	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H-2H2O"	-35.012676
"1395532"	195.1498	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H-H2O"	-17.0027
"294125"	425.312276	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+H"	1.007276
"686543"	637.464776	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+H"	1.007276
"1359610"	213.159776	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H"	1.007276
"137609"	213.159776	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+2H"	2.014552
"578262"	319.236026	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+2H"	2.014552
"1049616"	107.083526	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2H"	2.014552
"216787"	142.442276	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+3H"	3.021828
"651607"	213.159776	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+3H"	3.021828
"1165362"	71.724776	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+3H"	3.021828
"427540"	442.338823	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+NH4"	18.033823
"797285"	654.491323	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+NH4"	18.033823
"1687054"	230.186323	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+NH4"	18.033823
"339708"	221.6730495	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+H+NH4"	19.041099
"732127"	327.7492995	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+H+NH4"	19.041099
"1485948"	115.5967995	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H+NH4"	19.041099
"402441"	447.294218	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+Na"	22.989218
"766723"	659.446718	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+Na"	22.989218
"1615914"	235.141718	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Na"	22.989218
"326678"	224.150747	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+H+Na"	23.996494
"715089"	330.226997	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+H+Na"	23.996494
"1476453"	118.074497	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H+Na"	23.996494
"1066535"	79.05209	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2H+Na"	25.00377
"1271495"	245.185986	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+CH3OH+H"	33.033486
"392581"	463.268158	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+K"	38.963158
"754068"	675.420658	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+K"	38.963158
"1554330"	251.115658	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+K"	38.963158
"313824"	232.137717	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+H+K"	39.970434
"705634"	338.213967	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+H+K"	39.970434
"1458358"	126.061467	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H+K"	39.970434
"249524"	466.338826	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+ACN+H"	42.033826
"1223327"	254.186326	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+ACN+H"	42.033826
"1209034"	127.596801	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+ACN+2H"	43.041102
"202397"	469.27616	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+2Na-H"	44.97116
"642687"	681.42866	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+2Na-H"	44.97116
"1146681"	257.12366	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2Na-H"	44.97116
"188351"	235.141718	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+2Na"	45.978436
"627705"	341.217968	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+2Na"	45.978436
"1130931"	129.065468	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2Na"	45.978436
"1413521"	86.379404	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H+2Na"	46.985712
"1444907"	259.165246	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H+HCOOH"	47.012746
"235596"	240.17474	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+3H2O+2H"	56.04448
"1524006"	273.21729	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+IsoProp+H"	61.06479
"424012"	243.128688	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+Na+K"	61.952376
"785171"	349.204938	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+Na+K"	61.952376
"1676636"	137.052438	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Na+K"	61.952376
"261331"	488.320768	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+ACN+Na"	64.015768
"1234405"	276.168268	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+ACN+Na"	64.015768
"1725845"	276.191793	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+NH4+HCOOH"	64.039293
"1185731"	93.706718	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+3Na"	68.967654
"1664508"	281.147188	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Na+HCOOH"	68.994688
"171610"	501.22404	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+2K-H"	76.91904
"610800"	713.37654	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+2K-H"	76.91904
"1096405"	289.07154	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2K-H"	76.91904
"155896"	251.115658	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"2M+2K"	77.926316
"595333"	357.191908	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"3M+2K"	77.926316
"1081669"	145.039408	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2K"	77.926316
"1110502"	291.086092	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2K+H"	78.933592
"1348717"	291.173707	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+DMSO+H"	79.021207
"1018702"	295.212876	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2ACN+H"	83.060376
"1535737"	296.206508	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+IsoProp+Na+H"	84.054008
"1001089"	148.110076	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+2ACN+2H"	84.067652
"1601059"	297.121128	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+K+HCOOH"	84.968628
"1424534"	327.152638	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+H+CF3COOH"	115.000138
"1154826"	168.623351	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+3ACN+2H"	125.094202
"1704377"	344.179185	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+NH4+CF3COOH"	132.026685
"1641120"	349.13458	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+Na+CF3COOH"	136.98208
"1576770"	365.10852	"C16836"	"14-Bipiperidine-1-carboxylic acid;14-Bipiperidine-1-carboxylic acid"	"C11H20N2O2"	"212.1525"	"M+K+CF3COOH"	152.95602
"816812"	144.0899	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M"	0
"989554"	125.07151	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-H2O-H"	-19.01839
"77304"	95.0526573333333	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M-3H"	-3.021828
"517838"	143.082624	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M-3H"	-3.021828
"894670"	47.0226906666667	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-3H"	-3.021828
"15349"	143.082624	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M-2H"	-2.014552
"453533"	215.127574	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M-2H"	-2.014552
"831334"	71.037674	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-2H"	-2.014552
"90601"	287.172524	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M-H"	-1.007276
"530156"	431.262424	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M-H"	-1.007276
"907229"	143.082624	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-H"	-1.007276
"60147"	304.199071	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M-2H+NH4"	16.019271
"500677"	448.288971	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M-2H+NH4"	16.019271
"872403"	160.109171	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-2H+NH4"	16.019271
"37022"	309.154466	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M-2H+Na"	20.974666
"480955"	453.244366	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M-2H+Na"	20.974666
"853289"	165.064566	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-2H+Na"	20.974666
"1621733"	165.064566	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Na-2H"	20.974666
"98261"	161.070963	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M-H+Cl"	33.962126
"534661"	233.115913	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M-H+Cl"	33.962126
"928168"	89.026013	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-H+Cl"	33.962126
"268062"	323.149202	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+Cl"	34.969402
"661575"	467.239102	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+Cl"	34.969402
"1273862"	179.059302	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Cl"	34.969402
"16419"	325.128406	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M-2H+K"	36.948606
"456590"	469.218306	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M-2H+K"	36.948606
"833336"	181.038506	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-2H+K"	36.948606
"1558126"	181.038506	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+K-2H"	36.948606
"953667"	189.088094	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-H+HCOOH"	44.998194
"371880"	333.178001	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+HCOOH-H"	44.998201
"350296"	347.193651	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+Hac-H"	59.013851
"1501314"	203.103751	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Hac-H"	59.013851
"960471"	211.070051	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-H+NaCOOH"	66.980151
"113756"	179.059302	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+2Cl"	69.938804
"550275"	251.104252	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+2Cl"	69.938804
"1023940"	107.014352	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2Cl"	69.938804
"1244976"	223.008785	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Br"	78.918885
"1308884"	225.064772	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Cl+HCOOH"	80.974872
"1326748"	247.046729	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Cl+NaCOOH"	102.956829
"925828"	257.075486	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M-H+CF3COOH"	112.985586
"1303270"	293.052164	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Cl+CF3COOH"	148.962264
"1382566"	109.077224	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H-2H2O"	-35.012676
"1394185"	127.0872	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H-H2O"	-17.0027
"294600"	289.187076	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+H"	1.007276
"684832"	433.276976	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+H"	1.007276
"1359720"	145.097176	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H"	1.007276
"137719"	145.097176	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+2H"	2.014552
"577278"	217.142126	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+2H"	2.014552
"1040977"	73.052226	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2H"	2.014552
"206080"	97.0672093333333	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+3H"	3.021828
"646250"	145.097176	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+3H"	3.021828
"1167659"	49.0372426666667	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+3H"	3.021828
"429837"	306.213623	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+NH4"	18.033823
"797031"	450.303523	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+NH4"	18.033823
"1688257"	162.123723	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+NH4"	18.033823
"340544"	153.6104495	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+H+NH4"	19.041099
"732238"	225.6553995	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+H+NH4"	19.041099
"1483873"	81.5654995	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H+NH4"	19.041099
"403643"	311.169018	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+Na"	22.989218
"761363"	455.258918	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+Na"	22.989218
"1612746"	167.079118	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Na"	22.989218
"326059"	156.088147	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+H+Na"	23.996494
"715199"	228.133097	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+H+Na"	23.996494
"1475587"	84.043197	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H+Na"	23.996494
"1066279"	56.3645566666667	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2H+Na"	25.00377
"1272497"	177.123386	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+CH3OH+H"	33.033486
"392608"	327.142958	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+K"	38.963158
"751537"	471.232858	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+K"	38.963158
"1552130"	183.053058	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+K"	38.963158
"313933"	164.075117	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+H+K"	39.970434
"706635"	236.120067	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+H+K"	39.970434
"1457739"	92.030167	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H+K"	39.970434
"249634"	330.213626	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+ACN+H"	42.033826
"1224777"	186.123726	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+ACN+H"	42.033826
"1208905"	93.565501	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+ACN+2H"	43.041102
"203602"	333.15096	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+2Na-H"	44.97116
"643522"	477.24086	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+2Na-H"	44.97116
"1146060"	189.06106	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2Na-H"	44.97116
"188378"	167.079118	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+2Na"	45.978436
"628304"	239.124068	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+2Na"	45.978436
"1130924"	95.034168	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2Na"	45.978436
"1413993"	63.6918706666667	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H+2Na"	46.985712
"1444526"	191.102646	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H+HCOOH"	47.012746
"235326"	172.11214	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+3H2O+2H"	56.04448
"1523996"	205.15469	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+IsoProp+H"	61.06479
"423927"	175.066088	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+Na+K"	61.952376
"785540"	247.111038	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+Na+K"	61.952376
"1678202"	103.021138	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Na+K"	61.952376
"264358"	352.195568	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+ACN+Na"	64.015768
"1239618"	208.105668	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+ACN+Na"	64.015768
"1726927"	208.129193	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+NH4+HCOOH"	64.039293
"1185841"	71.0191846666667	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+3Na"	68.967654
"1663042"	213.084588	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Na+HCOOH"	68.994688
"169903"	365.09884	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+2K-H"	76.91904
"611279"	509.18874	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+2K-H"	76.91904
"1097861"	221.00894	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2K-H"	76.91904
"153705"	183.053058	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"2M+2K"	77.926316
"595447"	255.098008	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"3M+2K"	77.926316
"1081059"	111.008108	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2K"	77.926316
"1113774"	223.023492	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2K+H"	78.933592
"1346280"	223.111107	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+DMSO+H"	79.021207
"1016997"	227.150276	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2ACN+H"	83.060376
"1536217"	228.143908	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+IsoProp+Na+H"	84.054008
"1001203"	114.078776	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+2ACN+2H"	84.067652
"1599353"	229.058528	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+K+HCOOH"	84.968628
"1427929"	259.090038	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+H+CF3COOH"	115.000138
"1152747"	134.592051	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+3ACN+2H"	125.094202
"1708860"	276.116585	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+NH4+CF3COOH"	132.026685
"1642324"	281.07198	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+Na+CF3COOH"	136.98208
"1576880"	297.04592	"C16837"	"4-Amino-1-piperidinecarboxylic acid"	"C6H12N2O2"	"144.0899"	"M+K+CF3COOH"	152.95602
"816686"	258.0528	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M"	0
"987342"	239.03441	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"78424"	171.027924	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"518361"	257.045524	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"894043"	85.010324	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"15499"	257.045524	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"454861"	386.071924	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"832174"	128.019124	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"92898"	515.098324	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"528443"	773.151124	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"908434"	257.045524	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"60621"	532.124871	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"497992"	790.177671	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"873606"	274.072071	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"40412"	537.080266	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"475598"	795.133066	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"850242"	279.027466	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1621843"	279.027466	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"98371"	275.033863	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"534888"	404.060263	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"927917"	146.007463	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"268054"	551.075002	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"660717"	809.127802	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1279202"	293.022202	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"16656"	553.054206	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"460226"	811.107006	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"838029"	295.001406	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1561516"	295.001406	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"953776"	303.050994	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"371992"	561.103801	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"355873"	575.119451	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1501423"	317.066651	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"967874"	325.032951	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"116781"	293.022202	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"551117"	422.048602	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1028062"	163.995802	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1245452"	336.971685	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1310452"	339.027672	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1329047"	361.009629	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"920104"	371.038386	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1300460"	407.015064	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1382394"	223.040124	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1395389"	241.0501	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"295074"	517.112876	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"685672"	775.165676	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1359830"	259.060076	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"138558"	259.060076	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"578846"	388.086476	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1041087"	130.033676	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"208987"	173.042476	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"654019"	259.060076	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1175791"	87.024876	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"431042"	534.139423	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"797508"	792.192223	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1692744"	276.086623	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"339926"	267.5733495	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"729070"	396.5997495	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1481797"	138.5469495	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"402663"	539.094818	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"764753"	797.147618	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1612855"	281.042018	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"326169"	270.051047	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"715309"	399.077447	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1475697"	141.024647	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1067117"	94.35219	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1272078"	291.086286	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"390651"	555.068758	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"752376"	813.121558	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1549689"	297.015958	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"313796"	278.038017	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"705853"	407.064417	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1454570"	149.011617	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"248648"	558.139426	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1223677"	300.086626	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1208977"	150.546951	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"204039"	561.07676	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"644039"	819.12956	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1146893"	303.02396	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"188409"	281.042018	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"628297"	410.068418	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1130781"	152.015618	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1414023"	101.679504	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1443906"	305.065546	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"235534"	286.07504	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1523741"	319.11759	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"424078"	289.028988	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"785392"	418.055388	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1681114"	160.002588	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"266172"	580.121368	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1240461"	322.068568	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1723878"	322.092093	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1185951"	109.006818	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1663517"	327.047488	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"170742"	593.02464	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"611392"	851.07744	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1098579"	334.97184	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"154908"	297.015958	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"596043"	426.042358	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1082261"	167.989558	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1114005"	336.986392	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1348941"	337.074007	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1019654"	341.113176	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1535957"	342.106808	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"1003498"	171.060226	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1601408"	343.021428	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1429132"	373.052938	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1152857"	191.573501	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1700222"	390.079485	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1641340"	395.03488	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1575897"	411.00882	"C16838"	"Alternariol"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"816887"	866.4816	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M"	0
"986359"	847.46321	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-H2O-H"	-19.01839
"77971"	576.647124	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M-3H"	-3.021828
"518137"	865.474324	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M-3H"	-3.021828
"894639"	287.819924	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-3H"	-3.021828
"10538"	865.474324	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M-2H"	-2.014552
"452287"	1298.715124	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M-2H"	-2.014552
"832568"	432.233524	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-2H"	-2.014552
"93735"	1731.955924	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M-H"	-1.007276
"526366"	2598.437524	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M-H"	-1.007276
"907813"	865.474324	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-H"	-1.007276
"60001"	1748.982471	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M-2H+NH4"	16.019271
"497738"	2615.464071	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M-2H+NH4"	16.019271
"875175"	882.500871	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-2H+NH4"	16.019271
"40523"	1753.937866	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M-2H+Na"	20.974666
"477896"	2620.419466	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M-2H+Na"	20.974666
"850231"	887.456266	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-2H+Na"	20.974666
"1619887"	887.456266	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Na-2H"	20.974666
"98481"	883.462663	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M-H+Cl"	33.962126
"534467"	1316.703463	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M-H+Cl"	33.962126
"928273"	450.221863	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-H+Cl"	33.962126
"267637"	1767.932602	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+Cl"	34.969402
"661439"	2634.414202	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+Cl"	34.969402
"1282592"	901.451002	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Cl"	34.969402
"17008"	1769.911806	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M-2H+K"	36.948606
"460336"	2636.393406	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M-2H+K"	36.948606
"838139"	903.430206	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-2H+K"	36.948606
"1561626"	903.430206	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+K-2H"	36.948606
"953886"	911.479794	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-H+HCOOH"	44.998194
"372102"	1777.961401	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+HCOOH-H"	44.998201
"353795"	1791.977051	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+Hac-H"	59.013851
"1501533"	925.495451	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Hac-H"	59.013851
"964703"	933.461751	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-H+NaCOOH"	66.980151
"116891"	901.451002	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+2Cl"	69.938804
"550740"	1334.691802	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+2Cl"	69.938804
"1029630"	468.210202	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2Cl"	69.938804
"1247385"	945.400485	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Br"	78.918885
"1309467"	947.456472	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Cl+HCOOH"	80.974872
"1324781"	969.438429	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Cl+NaCOOH"	102.956829
"918027"	979.467186	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M-H+CF3COOH"	112.985586
"1303122"	1015.443864	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Cl+CF3COOH"	148.962264
"1382377"	831.468924	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H-2H2O"	-35.012676
"1395135"	849.4789	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H-H2O"	-17.0027
"294820"	1733.970476	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+H"	1.007276
"686147"	2600.452076	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+H"	1.007276
"1362492"	867.488876	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H"	1.007276
"139762"	867.488876	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+2H"	2.014552
"579321"	1300.729676	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+2H"	2.014552
"1041197"	434.248076	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2H"	2.014552
"209096"	578.661676	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+3H"	3.021828
"654127"	867.488876	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+3H"	3.021828
"1175173"	289.834476	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+3H"	3.021828
"432245"	1750.997023	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+NH4"	18.033823
"797618"	2617.478623	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+NH4"	18.033823
"1692854"	884.515423	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+NH4"	18.033823
"340765"	876.0021495	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+H+NH4"	19.041099
"730273"	1309.2429495	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+H+NH4"	19.041099
"1482999"	442.7613495	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H+NH4"	19.041099
"401677"	1755.952418	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+Na"	22.989218
"761583"	2622.434018	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+Na"	22.989218
"1612601"	889.470818	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Na"	22.989218
"322999"	878.479847	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+H+Na"	23.996494
"712504"	1311.720647	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+H+Na"	23.996494
"1475686"	445.239047	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H+Na"	23.996494
"1067228"	297.16179	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2H+Na"	25.00377
"1272663"	899.515086	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+CH3OH+H"	33.033486
"390397"	1771.926358	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+K"	38.963158
"752486"	2638.407958	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+K"	38.963158
"1549435"	905.444758	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+K"	38.963158
"312448"	886.466817	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+H+K"	39.970434
"703772"	1319.707617	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+H+K"	39.970434
"1455773"	453.226017	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H+K"	39.970434
"248758"	1774.997026	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+ACN+H"	42.033826
"1224881"	908.515426	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+ACN+H"	42.033826
"1209742"	454.761351	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+ACN+2H"	43.041102
"204152"	1777.93436	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+2Na-H"	44.97116
"643910"	2644.41596	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+2Na-H"	44.97116
"1147028"	911.45276	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2Na-H"	44.97116
"187865"	889.470818	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+2Na"	45.978436
"626938"	1322.711618	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+2Na"	45.978436
"1130810"	456.230018	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2Na"	45.978436
"1414053"	304.489104	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H+2Na"	46.985712
"1443652"	913.494346	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H+HCOOH"	47.012746
"235343"	894.50384	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+3H2O+2H"	56.04448
"1523848"	927.54639	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+IsoProp+H"	61.06479
"424179"	897.457788	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+Na+K"	61.952376
"785219"	1330.698588	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+Na+K"	61.952376
"1680825"	464.216988	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Na+K"	61.952376
"266403"	1796.978968	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+ACN+Na"	64.015768
"1240448"	930.497368	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+ACN+Na"	64.015768
"1725081"	930.520893	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+NH4+HCOOH"	64.039293
"1186061"	311.816418	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+3Na"	68.967654
"1664721"	935.476288	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Na+HCOOH"	68.994688
"170127"	1809.88224	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+2K-H"	76.91904
"612352"	2676.36384	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+2K-H"	76.91904
"1098083"	943.40064	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2K-H"	76.91904
"155745"	905.444758	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"2M+2K"	77.926316
"596638"	1338.685558	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"3M+2K"	77.926316
"1083666"	472.203958	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2K"	77.926316
"1114115"	945.415192	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2K+H"	78.933592
"1349414"	945.502807	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+DMSO+H"	79.021207
"1020374"	949.541976	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2ACN+H"	83.060376
"1537527"	950.535608	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+IsoProp+Na+H"	84.054008
"1003245"	475.274626	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+2ACN+2H"	84.067652
"1601273"	951.450228	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+K+HCOOH"	84.968628
"1428394"	981.481738	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+H+CF3COOH"	115.000138
"1158434"	495.787901	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+3ACN+2H"	125.094202
"1705799"	998.508285	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+NH4+CF3COOH"	132.026685
"1644730"	1003.46368	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+Na+CF3COOH"	136.98208
"1576007"	1019.43762	"C16839"	"Brevetoxin A"	"C49H70O13"	"866.4816"	"M+K+CF3COOH"	152.95602
"814396"	313.0215	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M"	0
"989267"	294.00311	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-H2O-H"	-19.01839
"74712"	207.673724	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M-3H"	-3.021828
"517554"	312.014224	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M-3H"	-3.021828
"890980"	103.333224	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-3H"	-3.021828
"9555"	312.014224	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M-2H"	-2.014552
"446929"	468.524974	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M-2H"	-2.014552
"831663"	155.503474	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-2H"	-2.014552
"91659"	625.035724	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M-H"	-1.007276
"529757"	938.057224	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M-H"	-1.007276
"908654"	312.014224	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-H"	-1.007276
"60111"	642.062271	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M-2H+NH4"	16.019271
"497120"	955.083771	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M-2H+NH4"	16.019271
"872733"	329.040771	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-2H+NH4"	16.019271
"39540"	647.017666	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M-2H+Na"	20.974666
"476913"	960.039166	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M-2H+Na"	20.974666
"850341"	333.996166	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-2H+Na"	20.974666
"1619876"	333.996166	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Na-2H"	20.974666
"97498"	330.002563	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M-H+Cl"	33.962126
"534494"	486.513313	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M-H+Cl"	33.962126
"927206"	173.491813	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-H+Cl"	33.962126
"267546"	661.012402	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+Cl"	34.969402
"661549"	974.033902	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+Cl"	34.969402
"1279422"	347.990902	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Cl"	34.969402
"16632"	662.991606	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M-2H+K"	36.948606
"458259"	976.013106	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M-2H+K"	36.948606
"836061"	349.970106	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-2H+K"	36.948606
"1561736"	349.970106	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+K-2H"	36.948606
"952902"	358.019694	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-H+HCOOH"	44.998194
"371119"	671.041201	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+HCOOH-H"	44.998201
"356092"	685.056851	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+Hac-H"	59.013851
"1500550"	372.035351	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Hac-H"	59.013851
"964813"	380.001651	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-H+NaCOOH"	66.980151
"117003"	347.990902	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+2Cl"	69.938804
"550728"	504.501652	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+2Cl"	69.938804
"1029740"	191.480152	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2Cl"	69.938804
"1247131"	391.940385	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Br"	78.918885
"1306661"	393.996372	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Cl+HCOOH"	80.974872
"1325984"	415.978329	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Cl+NaCOOH"	102.956829
"918137"	426.007086	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M-H+CF3COOH"	112.985586
"1303596"	461.983764	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Cl+CF3COOH"	148.962264
"1380664"	278.008824	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H-2H2O"	-35.012676
"1395608"	296.0188	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H-H2O"	-17.0027
"295659"	627.050276	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+H"	1.007276
"687350"	940.071776	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+H"	1.007276
"1363330"	314.028776	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H"	1.007276
"138777"	314.028776	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+2H"	2.014552
"578702"	470.539526	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+2H"	2.014552
"1042399"	157.518026	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2H"	2.014552
"206045"	209.688276	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+3H"	3.021828
"649863"	314.028776	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+3H"	3.021828
"1174919"	105.347776	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+3H"	3.021828
"429075"	644.076823	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+NH4"	18.033823
"798093"	957.098323	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+NH4"	18.033823
"1688589"	331.055323	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+NH4"	18.033823
"339782"	322.5420495	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+H+NH4"	19.041099
"730383"	479.0527995	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+H+NH4"	19.041099
"1484202"	166.0312995	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H+NH4"	19.041099
"401786"	649.032218	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+Na"	22.989218
"760600"	962.053718	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+Na"	22.989218
"1613804"	336.010718	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Na"	22.989218
"323109"	325.019747	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+H+Na"	23.996494
"714435"	481.530497	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+H+Na"	23.996494
"1473731"	168.508997	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H+Na"	23.996494
"1061509"	112.67509	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2H+Na"	25.00377
"1269748"	346.054986	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+CH3OH+H"	33.033486
"390871"	665.006158	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+K"	38.963158
"753448"	978.027658	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+K"	38.963158
"1552825"	351.984658	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+K"	38.963158
"308550"	333.006717	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+H+K"	39.970434
"703882"	489.517467	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+H+K"	39.970434
"1455883"	176.495967	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H+K"	39.970434
"247775"	668.076826	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+ACN+H"	42.033826
"1225506"	355.055326	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+ACN+H"	42.033826
"1209323"	178.031301	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+ACN+2H"	43.041102
"203818"	671.01416	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+2Na-H"	44.97116
"643694"	984.03566	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+2Na-H"	44.97116
"1146766"	357.99266	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2Na-H"	44.97116
"186878"	336.010718	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+2Na"	45.978436
"626440"	492.521468	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+2Na"	45.978436
"1129823"	179.499968	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2Na"	45.978436
"1412862"	120.002404	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H+2Na"	46.985712
"1443030"	360.034246	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H+HCOOH"	47.012746
"235167"	341.04374	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+3H2O+2H"	56.04448
"1523714"	374.08629	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+IsoProp+H"	61.06479
"423032"	343.997688	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+Na+K"	61.952376
"785126"	500.508438	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+Na+K"	61.952376
"1680846"	187.486938	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Na+K"	61.952376
"264324"	690.058768	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+ACN+Na"	64.015768
"1239099"	377.037268	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+ACN+Na"	64.015768
"1723005"	377.060793	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+NH4+HCOOH"	64.039293
"1186171"	127.329718	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+3Na"	68.967654
"1664099"	382.016188	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Na+HCOOH"	68.994688
"170598"	702.96204	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+2K-H"	76.91904
"612583"	1015.98354	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+2K-H"	76.91904
"1097946"	389.94054	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2K-H"	76.91904
"155855"	351.984658	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"2M+2K"	77.926316
"595655"	508.495408	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"3M+2K"	77.926316
"1081748"	195.473908	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2K"	77.926316
"1113132"	391.955092	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2K+H"	78.933592
"1350253"	392.042707	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+DMSO+H"	79.021207
"1019876"	396.081876	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2ACN+H"	83.060376
"1538366"	397.075508	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+IsoProp+Na+H"	84.054008
"1002626"	198.544576	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+2ACN+2H"	84.067652
"1601140"	397.990128	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+K+HCOOH"	84.968628
"1428259"	428.021638	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+H+CF3COOH"	115.000138
"1156358"	219.057851	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+3ACN+2H"	125.094202
"1710283"	445.048185	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+NH4+CF3COOH"	132.026685
"1644840"	450.00358	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+Na+CF3COOH"	136.98208
"1575024"	465.97752	"C16840"	"Eudistomin G"	"C15H12BrN3"	"313.0215"	"M+K+CF3COOH"	152.95602
"816330"	627.4645	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M"	0
"988038"	608.44611	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-H2O-H"	-19.01839
"75915"	417.302390666667	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M-3H"	-3.021828
"517664"	626.457224	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M-3H"	-3.021828
"891090"	208.147557333333	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-3H"	-3.021828
"11850"	626.457224	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M-2H"	-2.014552
"447039"	940.189474	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M-2H"	-2.014552
"831782"	312.724974	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-2H"	-2.014552
"93350"	1253.921724	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M-H"	-1.007276
"531327"	1881.386224	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M-H"	-1.007276
"909129"	626.457224	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-H"	-1.007276
"60950"	1270.948271	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M-2H+NH4"	16.019271
"498687"	1898.412771	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M-2H+NH4"	16.019271
"876124"	643.483771	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-2H+NH4"	16.019271
"41837"	1275.903666	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M-2H+Na"	20.974666
"477023"	1903.368166	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M-2H+Na"	20.974666
"855919"	648.439166	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-2H+Na"	20.974666
"1630921"	648.439166	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Na-2H"	20.974666
"97610"	644.445563	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M-H+Cl"	33.962126
"535345"	958.177813	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M-H+Cl"	33.962126
"928495"	330.713313	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-H+Cl"	33.962126
"270332"	1289.898402	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+Cl"	34.969402
"661780"	1917.362902	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+Cl"	34.969402
"1279532"	662.433902	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Cl"	34.969402
"18080"	1291.877606	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M-2H+K"	36.948606
"463837"	1919.342106	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M-2H+K"	36.948606
"836171"	664.413106	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-2H+K"	36.948606
"1558930"	664.413106	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+K-2H"	36.948606
"953014"	672.462694	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-H+HCOOH"	44.998194
"370135"	1299.927201	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+HCOOH-H"	44.998201
"352194"	1313.942851	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+Hac-H"	59.013851
"1499568"	686.478351	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Hac-H"	59.013851
"963830"	694.444651	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-H+NaCOOH"	66.980151
"114197"	662.433902	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+2Cl"	69.938804
"550958"	976.166152	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+2Cl"	69.938804
"1024745"	348.701652	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2Cl"	69.938804
"1241891"	706.383385	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Br"	78.918885
"1306039"	708.439372	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Cl+HCOOH"	80.974872
"1324270"	730.421329	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Cl+NaCOOH"	102.956829
"913870"	740.450086	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M-H+CF3COOH"	112.985586
"1291671"	776.426764	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Cl+CF3COOH"	148.962264
"1376394"	592.451824	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H-2H2O"	-35.012676
"1387694"	610.4618	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H-H2O"	-17.0027
"290298"	1255.936276	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+H"	1.007276
"683812"	1883.400776	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+H"	1.007276
"1359066"	628.471776	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H"	1.007276
"134876"	628.471776	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+2H"	2.014552
"575529"	942.204026	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+2H"	2.014552
"1039586"	314.739526	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2H"	2.014552
"205663"	419.316942666667	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+3H"	3.021828
"649973"	628.471776	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+3H"	3.021828
"1175028"	210.162109333333	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+3H"	3.021828
"429185"	1272.962823	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+NH4"	18.033823
"794555"	1900.427323	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+NH4"	18.033823
"1694167"	645.498323	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+NH4"	18.033823
"338069"	636.9850495	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+H+NH4"	19.041099
"731586"	950.7172995	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+H+NH4"	19.041099
"1483219"	323.2527995	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H+NH4"	19.041099
"399710"	1277.918218	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+Na"	22.989218
"760710"	1905.382718	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+Na"	22.989218
"1615371"	650.453718	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Na"	22.989218
"323219"	639.462747	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+H+Na"	23.996494
"715638"	953.194997	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+H+Na"	23.996494
"1472747"	325.730497	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H+Na"	23.996494
"1063806"	217.489423333333	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2H+Na"	25.00377
"1269491"	660.497986	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+CH3OH+H"	33.033486
"389888"	1293.892158	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+K"	38.963158
"751613"	1921.356658	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+K"	38.963158
"1546009"	666.427658	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+K"	38.963158
"310844"	647.449717	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+H+K"	39.970434
"699983"	961.181967	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+H+K"	39.970434
"1452711"	333.717467	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H+K"	39.970434
"245697"	1296.962826	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+ACN+H"	42.033826
"1225537"	669.498326	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+ACN+H"	42.033826
"1209796"	335.252801	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+ACN+2H"	43.041102
"203968"	1299.90016	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+2Na-H"	44.97116
"643844"	1927.36466	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+2Na-H"	44.97116
"1146504"	672.43566	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2Na-H"	44.97116
"186989"	650.453718	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+2Na"	45.978436
"626672"	964.185968	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+2Na"	45.978436
"1129202"	336.721468	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2Na"	45.978436
"1410294"	224.816737333333	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H+2Na"	46.985712
"1441317"	674.477246	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H+HCOOH"	47.012746
"234915"	655.48674	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+3H2O+2H"	56.04448
"1523583"	688.52929	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+IsoProp+H"	61.06479
"423508"	658.440688	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+Na+K"	61.952376
"784748"	972.172938	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+Na+K"	61.952376
"1680597"	344.708438	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Na+K"	61.952376
"266139"	1318.944768	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+ACN+Na"	64.015768
"1240793"	691.480268	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+ACN+Na"	64.015768
"1724208"	691.503793	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+NH4+HCOOH"	64.039293
"1188468"	232.144051333333	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+3Na"	68.967654
"1665260"	696.459188	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Na+HCOOH"	68.994688
"171801"	1331.84804	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+2K-H"	76.91904
"611601"	1959.31254	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+2K-H"	76.91904
"1097323"	704.38354	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2K-H"	76.91904
"154147"	666.427658	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"2M+2K"	77.926316
"594065"	980.159908	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"3M+2K"	77.926316
"1082589"	352.695408	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2K"	77.926316
"1112518"	706.398092	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2K+H"	78.933592
"1347809"	706.485707	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+DMSO+H"	79.021207
"1019257"	710.524876	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2ACN+H"	83.060376
"1538477"	711.518508	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+IsoProp+Na+H"	84.054008
"1005168"	355.766076	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+2ACN+2H"	84.067652
"1601980"	712.433128	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+K+HCOOH"	84.968628
"1428250"	742.464638	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+H+CF3COOH"	115.000138
"1157562"	376.279351	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+3ACN+2H"	125.094202
"1707113"	759.491185	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+NH4+CF3COOH"	132.026685
"1640575"	764.44658	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+Na+CF3COOH"	136.98208
"1575134"	780.42052	"C16841"	"Squalamine"	"C34H65N3O5S"	"627.4645"	"M+K+CF3COOH"	152.95602
"815709"	238.026	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M"	0
"989123"	219.00761	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-H2O-H"	-19.01839
"76026"	157.676724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M-3H"	-3.021828
"517654"	237.018724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M-3H"	-3.021828
"893025"	78.334724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-3H"	-3.021828
"13054"	237.018724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M-2H"	-2.014552
"447148"	356.031724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M-2H"	-2.014552
"831882"	118.005724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-2H"	-2.014552
"93710"	475.044724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M-H"	-1.007276
"532529"	713.070724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M-H"	-1.007276
"909967"	237.018724	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-H"	-1.007276
"57778"	492.071271	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M-2H+NH4"	16.019271
"499526"	730.097271	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M-2H+NH4"	16.019271
"876233"	254.045271	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-2H+NH4"	16.019271
"39760"	497.026666	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M-2H+Na"	20.974666
"476039"	735.052666	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M-2H+Na"	20.974666
"858215"	259.000666	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-2H+Na"	20.974666
"1627751"	259.000666	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Na-2H"	20.974666
"97720"	255.007063	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M-H+Cl"	33.962126
"535819"	374.020063	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M-H+Cl"	33.962126
"928605"	135.994063	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-H+Cl"	33.962126
"269349"	511.021402	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+Cl"	34.969402
"661646"	749.047402	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+Cl"	34.969402
"1279642"	272.995402	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Cl"	34.969402
"21104"	513.000606	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M-2H+K"	36.948606
"467227"	751.026606	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M-2H+K"	36.948606
"834091"	274.974606	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-2H+K"	36.948606
"1559768"	274.974606	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+K-2H"	36.948606
"953124"	283.024194	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-H+HCOOH"	44.998194
"372431"	521.050201	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+HCOOH-H"	44.998201
"348659"	535.065851	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+Hac-H"	59.013851
"1505144"	297.039851	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Hac-H"	59.013851
"968311"	305.006151	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-H+NaCOOH"	66.980151
"116125"	272.995402	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+2Cl"	69.938804
"551310"	392.008402	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+2Cl"	69.938804
"1024855"	153.982402	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2Cl"	69.938804
"1242973"	316.944885	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Br"	78.918885
"1306514"	319.000872	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Cl+HCOOH"	80.974872
"1324016"	340.982829	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Cl+NaCOOH"	102.956829
"914344"	351.011586	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M-H+CF3COOH"	112.985586
"1292145"	386.988264	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Cl+CF3COOH"	148.962264
"1376504"	203.013324	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H-2H2O"	-35.012676
"1389627"	221.0233	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H-H2O"	-17.0027
"293324"	477.059276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+H"	1.007276
"686474"	715.085276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+H"	1.007276
"1359542"	239.033276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H"	1.007276
"135350"	239.033276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+2H"	2.014552
"576733"	358.046276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+2H"	2.014552
"1040060"	120.020276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2H"	2.014552
"205773"	159.691276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+3H"	3.021828
"646801"	239.033276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+3H"	3.021828
"1170397"	80.349276	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+3H"	3.021828
"430388"	494.085823	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+NH4"	18.033823
"794664"	732.111823	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+NH4"	18.033823
"1687712"	256.059823	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+NH4"	18.033823
"332712"	247.5465495	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+H+NH4"	19.041099
"732790"	366.5595495	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+H+NH4"	19.041099
"1478954"	128.5335495	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H+NH4"	19.041099
"399820"	499.041218	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+Na"	22.989218
"761913"	737.067218	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+Na"	22.989218
"1615482"	261.015218	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Na"	22.989218
"323328"	250.024247	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+H+Na"	23.996494
"715748"	369.037247	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+H+Na"	23.996494
"1473950"	131.011247	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H+Na"	23.996494
"1066830"	87.67659	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2H+Na"	25.00377
"1270330"	271.059486	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+CH3OH+H"	33.033486
"389998"	515.015158	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+K"	38.963158
"753544"	753.041158	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+K"	38.963158
"1547212"	276.989158	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+K"	38.963158
"313140"	258.011217	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+H+K"	39.970434
"694626"	377.024217	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+H+K"	39.970434
"1452821"	138.998217	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H+K"	39.970434
"244714"	518.085826	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+ACN+H"	42.033826
"1224849"	280.059826	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+ACN+H"	42.033826
"1209223"	140.533551	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+ACN+2H"	43.041102
"203309"	521.02316	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+2Na-H"	44.97116
"642491"	759.04916	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+2Na-H"	44.97116
"1146371"	282.99716	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2Na-H"	44.97116
"186126"	261.015218	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+2Na"	45.978436
"627634"	380.028218	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+2Na"	45.978436
"1128341"	142.002218	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2Na"	45.978436
"1410040"	95.003904	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H+2Na"	46.985712
"1438146"	285.038746	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H+HCOOH"	47.012746
"234164"	266.04824	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+3H2O+2H"	56.04448
"1519915"	299.09079	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+IsoProp+H"	61.06479
"422888"	269.002188	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+Na+K"	61.952376
"784980"	388.015188	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+Na+K"	61.952376
"1680464"	149.989188	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Na+K"	61.952376
"266372"	540.067768	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+ACN+Na"	64.015768
"1238713"	302.041768	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+ACN+Na"	64.015768
"1726505"	302.065293	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+NH4+HCOOH"	64.039293
"1190765"	102.331218	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+3Na"	68.967654
"1664805"	307.020688	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Na+HCOOH"	68.994688
"171184"	552.97104	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+2K-H"	76.91904
"610012"	790.99704	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+2K-H"	76.91904
"1098891"	314.94504	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2K-H"	76.91904
"154248"	276.989158	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"2M+2K"	77.926316
"594174"	396.002158	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"3M+2K"	77.926316
"1082337"	157.976158	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2K"	77.926316
"1113358"	316.959592	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2K+H"	78.933592
"1349014"	317.047207	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+DMSO+H"	79.021207
"1021154"	321.086376	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2ACN+H"	83.060376
"1539437"	322.080008	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+IsoProp+Na+H"	84.054008
"1005036"	161.046826	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+2ACN+2H"	84.067652
"1602335"	322.994628	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+K+HCOOH"	84.968628
"1429734"	353.026138	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+H+CF3COOH"	115.000138
"1158765"	181.560101	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+3ACN+2H"	125.094202
"1707223"	370.052685	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+NH4+CF3COOH"	132.026685
"1643967"	375.00808	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+Na+CF3COOH"	136.98208
"1575244"	390.98202	"C16842"	"SQ 26180"	"C6H10N2O6S"	"238.026"	"M+K+CF3COOH"	152.95602
"816467"	163.0845	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M"	0
"986799"	144.06611	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-H2O-H"	-19.01839
"78162"	107.715724	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M-3H"	-3.021828
"518087"	162.077224	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M-3H"	-3.021828
"894227"	53.354224	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-3H"	-3.021828
"10977"	162.077224	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M-2H"	-2.014552
"448352"	243.619474	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M-2H"	-2.014552
"825059"	80.534974	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-2H"	-2.014552
"91987"	325.161724	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M-H"	-1.007276
"530087"	488.246224	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M-H"	-1.007276
"905702"	162.077224	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-H"	-1.007276
"57888"	342.188271	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M-2H+NH4"	16.019271
"500000"	505.272771	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M-2H+NH4"	16.019271
"874156"	179.103771	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-2H+NH4"	16.019271
"39870"	347.143666	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M-2H+Na"	20.974666
"476149"	510.228166	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M-2H+Na"	20.974666
"860511"	184.059166	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-2H+Na"	20.974666
"1626768"	184.059166	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Na-2H"	20.974666
"100017"	180.065563	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M-H+Cl"	33.962126
"536295"	261.607813	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M-H+Cl"	33.962126
"929079"	98.523313	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-H+Cl"	33.962126
"268727"	361.138402	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+Cl"	34.969402
"661756"	524.222902	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+Cl"	34.969402
"1280845"	198.053902	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Cl"	34.969402
"20120"	363.117606	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M-2H+K"	36.948606
"464057"	526.202106	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M-2H+K"	36.948606
"836390"	200.033106	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-2H+K"	36.948606
"1559878"	200.033106	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+K-2H"	36.948606
"953232"	208.082694	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-H+HCOOH"	44.998194
"372541"	371.167201	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+HCOOH-H"	44.998201
"349860"	385.182851	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+Hac-H"	59.013851
"1498694"	222.098351	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Hac-H"	59.013851
"966232"	230.064651	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-H+NaCOOH"	66.980151
"115142"	198.053902	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+2Cl"	69.938804
"552878"	279.596152	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+2Cl"	69.938804
"1025329"	116.511652	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2Cl"	69.938804
"1244905"	242.003385	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Br"	78.918885
"1309539"	244.059372	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Cl+HCOOH"	80.974872
"1324490"	266.041329	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Cl+NaCOOH"	102.956829
"915183"	276.070086	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M-H+CF3COOH"	112.985586
"1292984"	312.046764	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Cl+CF3COOH"	148.962264
"1376614"	128.071824	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H-2H2O"	-35.012676
"1389737"	146.0818	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H-H2O"	-17.0027
"295986"	327.176276	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+H"	1.007276
"686220"	490.260776	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+H"	1.007276
"1362568"	164.091776	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H"	1.007276
"135460"	164.091776	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+2H"	2.014552
"577208"	245.634026	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+2H"	2.014552
"1039442"	82.549526	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2H"	2.014552
"209529"	109.730276	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+3H"	3.021828
"646911"	164.091776	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+3H"	3.021828
"1170504"	55.368776	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+3H"	3.021828
"432685"	344.202823	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+NH4"	18.033823
"792586"	507.287323	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+NH4"	18.033823
"1687819"	181.118323	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+NH4"	18.033823
"336100"	172.6050495	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+H+NH4"	19.041099
"728521"	254.1472995	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+H+NH4"	19.041099
"1480882"	91.0627995	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H+NH4"	19.041099
"397737"	349.158218	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+Na"	22.989218
"760929"	512.242718	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+Na"	22.989218
"1612306"	186.073718	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Na"	22.989218
"324531"	175.082747	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+H+Na"	23.996494
"712576"	256.624997	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+H+Na"	23.996494
"1474060"	93.540497	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H+Na"	23.996494
"1066210"	62.69609	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2H+Na"	25.00377
"1271168"	196.117986	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+CH3OH+H"	33.033486
"390835"	365.132158	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+K"	38.963158
"753654"	528.216658	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+K"	38.963158
"1546228"	202.047658	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+K"	38.963158
"307782"	183.069717	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+H+K"	39.970434
"695829"	264.611967	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+H+K"	39.970434
"1454024"	101.527467	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H+K"	39.970434
"248469"	368.202826	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+ACN+H"	42.033826
"1224956"	205.118326	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+ACN+H"	42.033826
"1209211"	103.062801	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+ACN+2H"	43.041102
"203902"	371.14016	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+2Na-H"	44.97116
"642600"	534.22466	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+2Na-H"	44.97116
"1146726"	208.05566	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2Na-H"	44.97116
"187206"	186.073718	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+2Na"	45.978436
"627134"	267.615968	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+2Na"	45.978436
"1129906"	104.531468	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2Na"	45.978436
"1411243"	70.023404	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H+2Na"	46.985712
"1438256"	210.097246	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H+HCOOH"	47.012746
"234880"	191.10674	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+3H2O+2H"	56.04448
"1520389"	224.14929	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+IsoProp+H"	61.06479
"421540"	194.060688	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+Na+K"	61.952376
"784720"	275.602938	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+Na+K"	61.952376
"1679841"	112.518438	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Na+K"	61.952376
"266604"	390.184768	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+ACN+Na"	64.015768
"1237730"	227.100268	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+ACN+Na"	64.015768
"1725522"	227.123793	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+NH4+HCOOH"	64.039293
"1188688"	77.350718	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+3Na"	68.967654
"1664670"	232.079188	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Na+HCOOH"	68.994688
"170191"	403.08804	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+2K-H"	76.91904
"609394"	566.17254	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+2K-H"	76.91904
"1097909"	240.00354	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2K-H"	76.91904
"153996"	202.047658	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"2M+2K"	77.926316
"593556"	283.589908	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"3M+2K"	77.926316
"1082445"	120.505408	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2K"	77.926316
"1112373"	242.018092	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2K+H"	78.933592
"1348031"	242.105707	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+DMSO+H"	79.021207
"1018381"	246.144876	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2ACN+H"	83.060376
"1538333"	247.138508	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+IsoProp+Na+H"	84.054008
"1002952"	123.576076	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+2ACN+2H"	84.067652
"1601350"	248.053128	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+K+HCOOH"	84.968628
"1428835"	278.084638	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+H+CF3COOH"	115.000138
"1156688"	144.089351	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+3ACN+2H"	125.094202
"1706240"	295.111185	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+NH4+CF3COOH"	132.026685
"1644077"	300.06658	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+Na+CF3COOH"	136.98208
"1575354"	316.04052	"C16843"	"Deoxynojirimycin;Moranolin"	"C6H13NO4"	"163.0845"	"M+K+CF3COOH"	152.95602
"815929"	17.0027	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M"	0
"986909"	-2.01569	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-H2O-H"	-19.01839
"77340"	10.3278573333333	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M-3H"	-3.021828
"518401"	15.995424	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M-3H"	-3.021828
"893608"	4.66029066666667	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-3H"	-3.021828
"11087"	15.995424	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M-2H"	-2.014552
"450648"	24.496774	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M-2H"	-2.014552
"826262"	7.494074	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-2H"	-2.014552
"92825"	32.998124	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M-H"	-1.007276
"530197"	50.000824	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M-H"	-1.007276
"906905"	15.995424	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-H"	-1.007276
"57998"	50.024671	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M-2H+NH4"	16.019271
"498652"	67.027371	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M-2H+NH4"	16.019271
"875359"	33.021971	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-2H+NH4"	16.019271
"41073"	54.980066	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M-2H+Na"	20.974666
"476259"	71.982766	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M-2H+Na"	20.974666
"860621"	37.977366	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-2H+Na"	20.974666
"1626878"	37.977366	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Na-2H"	20.974666
"101220"	33.983763	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M-H+Cl"	33.962126
"537498"	42.485113	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M-H+Cl"	33.962126
"930282"	25.482413	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-H+Cl"	33.962126
"268839"	68.974802	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+Cl"	34.969402
"660407"	85.977502	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+Cl"	34.969402
"1280955"	51.972102	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Cl"	34.969402
"20230"	70.954006	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M-2H+K"	36.948606
"461979"	87.956706	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M-2H+K"	36.948606
"835038"	53.951306	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-2H+K"	36.948606
"1557800"	53.951306	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+K-2H"	36.948606
"953341"	62.000894	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-H+HCOOH"	44.998194
"369369"	79.003601	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+HCOOH-H"	44.998201
"350335"	93.019251	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+Hac-H"	59.013851
"1498438"	76.016551	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Hac-H"	59.013851
"964155"	83.982851	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-H+NaCOOH"	66.980151
"114523"	51.972102	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+2Cl"	69.938804
"551287"	60.473452	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+2Cl"	69.938804
"1026168"	43.470752	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2Cl"	69.938804
"1244651"	95.921585	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Br"	78.918885
"1307462"	97.977572	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Cl+HCOOH"	80.974872
"1324600"	119.959529	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Cl+NaCOOH"	102.956829
"916386"	129.988286	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M-H+CF3COOH"	112.985586
"1294187"	165.964964	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Cl+CF3COOH"	148.962264
"1376724"	-18.009976	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H-2H2O"	-35.012676
"1389847"	0	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H-H2O"	-17.0027
"296096"	35.012676	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+H"	1.007276
"686694"	52.015376	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+H"	1.007276
"1362678"	18.009976	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H"	1.007276
"138122"	18.009976	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+2H"	2.014552
"578775"	26.511326	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+2H"	2.014552
"1041010"	9.508626	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2H"	2.014552
"208546"	12.3424093333333	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+3H"	3.021828
"650300"	18.009976	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+3H"	3.021828
"1168426"	6.67484266666667	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+3H"	3.021828
"429511"	52.039223	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+NH4"	18.033823
"792694"	69.041923	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+NH4"	18.033823
"1686835"	35.036523	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+NH4"	18.033823
"335112"	26.5232495	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+H+NH4"	19.041099
"728626"	35.0245995	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+H+NH4"	19.041099
"1480260"	18.0218995	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H+NH4"	19.041099
"393473"	56.994618	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+Na"	22.989218
"761036"	73.997318	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+Na"	22.989218
"1611323"	39.991918	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Na"	22.989218
"320265"	29.000947	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+H+Na"	23.996494
"712686"	37.502297	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+H+Na"	23.996494
"1473070"	20.499597	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H+Na"	23.996494
"1067778"	14.0021566666667	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2H+Na"	25.00377
"1271279"	50.036186	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+CH3OH+H"	33.033486
"385477"	72.968558	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+K"	38.963158
"748660"	89.971258	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+K"	38.963158
"1547431"	55.965858	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+K"	38.963158
"307892"	36.987917	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+H+K"	39.970434
"694844"	45.489267	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+H+K"	39.970434
"1454134"	28.486567	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H+K"	39.970434
"248211"	76.039226	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+ACN+H"	42.033826
"1225146"	59.036526	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+ACN+H"	42.033826
"1209803"	30.021901	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+ACN+2H"	43.041102
"203973"	78.97656	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+2Na-H"	44.97116
"641978"	95.97926	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+2Na-H"	44.97116
"1145484"	61.97386	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2Na-H"	44.97116
"180754"	39.991918	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+2Na"	45.978436
"621406"	48.493268	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+2Na"	45.978436
"1126006"	31.490568	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2Na"	45.978436
"1406250"	21.3294706666667	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H+2Na"	46.985712
"1435084"	64.015446	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H+HCOOH"	47.012746
"233895"	45.02494	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+3H2O+2H"	56.04448
"1521228"	78.06749	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+IsoProp+H"	61.06479
"421650"	47.978888	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+Na+K"	61.952376
"780818"	56.480238	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+Na+K"	61.952376
"1679703"	39.477538	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Na+K"	61.952376
"264038"	98.021168	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+ACN+Na"	64.015768
"1236744"	81.018468	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+ACN+Na"	64.015768
"1724539"	81.041993	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+NH4+HCOOH"	64.039293
"1184423"	28.6567846666667	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+3Na"	68.967654
"1665023"	85.997388	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Na+HCOOH"	68.994688
"171030"	110.92444	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+2K-H"	76.91904
"611930"	127.92714	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+2K-H"	76.91904
"1097290"	93.92174	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2K-H"	76.91904
"155199"	55.965858	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"2M+2K"	77.926316
"592572"	64.467208	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"3M+2K"	77.926316
"1081456"	47.464508	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2K"	77.926316
"1111754"	95.936292	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2K+H"	78.933592
"1348870"	96.023907	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+DMSO+H"	79.021207
"1017762"	100.063076	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2ACN+H"	83.060376
"1538443"	101.056708	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+IsoProp+Na+H"	84.054008
"1001969"	50.535176	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+2ACN+2H"	84.067652
"1601216"	101.971328	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+K+HCOOH"	84.968628
"1428337"	132.002838	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+H+CF3COOH"	115.000138
"1155705"	71.048451	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+3ACN+2H"	125.094202
"1706350"	149.029385	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+NH4+CF3COOH"	132.026685
"1644187"	153.98478	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+Na+CF3COOH"	136.98208
"1575464"	169.95872	"C16844"	"Hydroxyl radical;Hydrogen oxide"	"OH"	"17.0027"	"M+K+CF3COOH"	152.95602
"816525"	61.9878	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M"	0
"987991"	42.96941	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-H2O-H"	-19.01839
"78387"	40.317924	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M-3H"	-3.021828
"517618"	60.980524	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M-3H"	-3.021828
"892625"	19.655324	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-3H"	-3.021828
"11197"	60.980524	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M-2H"	-2.014552
"450758"	91.974424	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M-2H"	-2.014552
"825279"	29.986624	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-2H"	-2.014552
"94206"	122.968324	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M-H"	-1.007276
"531766"	184.956124	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M-H"	-1.007276
"909568"	60.980524	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-H"	-1.007276
"59933"	139.994871	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M-2H+NH4"	16.019271
"497669"	201.982671	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M-2H+NH4"	16.019271
"875469"	78.007071	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-2H+NH4"	16.019271
"41912"	144.950266	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M-2H+Na"	20.974666
"476369"	206.938066	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M-2H+Na"	20.974666
"860367"	82.962466	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-2H+Na"	20.974666
"1625894"	82.962466	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Na-2H"	20.974666
"102423"	78.968863	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M-H+Cl"	33.962126
"537608"	109.962763	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M-H+Cl"	33.962126
"930392"	47.974963	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-H+Cl"	33.962126
"269313"	158.945002	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+Cl"	34.969402
"660193"	220.932802	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+Cl"	34.969402
"1279972"	96.957202	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Cl"	34.969402
"22527"	160.924206	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M-2H+K"	36.948606
"463183"	222.912006	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M-2H+K"	36.948606
"833811"	98.936406	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-2H+K"	36.948606
"1558275"	98.936406	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+K-2H"	36.948606
"953451"	106.985994	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-H+HCOOH"	44.998194
"369479"	168.973801	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+HCOOH-H"	44.998201
"348623"	182.989451	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+Hac-H"	59.013851
"1497454"	121.001651	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Hac-H"	59.013851
"962077"	128.967951	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-H+NaCOOH"	66.980151
"112809"	96.957202	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+2Cl"	69.938804
"550910"	127.951102	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+2Cl"	69.938804
"1022630"	65.963302	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2Cl"	69.938804
"1242939"	140.906685	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Br"	78.918885
"1306479"	142.962672	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Cl+HCOOH"	80.974872
"1322158"	164.944629	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Cl+NaCOOH"	102.956829
"914674"	174.973386	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M-H+CF3COOH"	112.985586
"1292474"	210.950064	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Cl+CF3COOH"	148.962264
"1376834"	26.975124	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H-2H2O"	-35.012676
"1389957"	44.9851	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H-H2O"	-17.0027
"296570"	124.982876	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+H"	1.007276
"686440"	186.970676	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+H"	1.007276
"1363152"	62.995076	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H"	1.007276
"138596"	62.995076	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+2H"	2.014552
"578521"	93.988976	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+2H"	2.014552
"1041849"	32.001176	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2H"	2.014552
"209749"	42.332476	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+3H"	3.021828
"645063"	62.995076	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+3H"	3.021828
"1167443"	21.669876	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+3H"	3.021828
"429622"	142.009423	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+NH4"	18.033823
"791712"	203.997223	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+NH4"	18.033823
"1684759"	80.021623	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+NH4"	18.033823
"333036"	71.5083495	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+H+NH4"	19.041099
"727643"	102.5022495	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+H+NH4"	19.041099
"1479640"	40.5144495	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H+NH4"	19.041099
"393583"	146.964818	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+Na"	22.989218
"758224"	208.952618	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+Na"	22.989218
"1611433"	84.977018	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Na"	22.989218
"321465"	73.986047	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+H+Na"	23.996494
"713889"	104.979947	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+H+Na"	23.996494
"1469900"	42.992147	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H+Na"	23.996494
"1066065"	28.99719	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2H+Na"	25.00377
"1271389"	95.021286	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+CH3OH+H"	33.033486
"385587"	162.938758	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+K"	38.963158
"748770"	224.926558	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+K"	38.963158
"1547541"	100.950958	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+K"	38.963158
"308001"	81.973017	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+H+K"	39.970434
"698234"	112.966917	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+H+K"	39.970434
"1449868"	50.979117	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H+K"	39.970434
"250508"	166.009426	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+ACN+H"	42.033826
"1225565"	104.021626	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+ACN+H"	42.033826
"1209846"	52.514451	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+ACN+2H"	43.041102
"204198"	168.94676	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+2Na-H"	44.97116
"642452"	230.93456	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+2Na-H"	44.97116
"1145230"	106.95896	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2Na-H"	44.97116
"186696"	84.977018	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+2Na"	45.978436
"627350"	115.970918	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+2Na"	45.978436
"1126116"	53.983118	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2Na"	45.978436
"1408546"	36.324504	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H+2Na"	46.985712
"1440661"	109.000546	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H+HCOOH"	47.012746
"233643"	90.01004	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+3H2O+2H"	56.04448
"1524122"	123.05259	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+IsoProp+H"	61.06479
"423503"	92.963988	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+Na+K"	61.952376
"783844"	123.957888	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+Na+K"	61.952376
"1680542"	61.970088	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Na+K"	61.952376
"265970"	187.991368	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+ACN+Na"	64.015768
"1237947"	126.003568	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+ACN+Na"	64.015768
"1720273"	126.027093	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+NH4+HCOOH"	64.039293
"1188906"	43.651818	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+3Na"	68.967654
"1664894"	130.982488	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Na+HCOOH"	68.994688
"171140"	200.89464	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+2K-H"	76.91904
"611070"	262.88244	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+2K-H"	76.91904
"1097034"	138.90684	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2K-H"	76.91904
"154942"	100.950958	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"2M+2K"	77.926316
"593412"	131.944858	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"3M+2K"	77.926316
"1081566"	69.957058	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2K"	77.926316
"1112594"	140.921392	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2K+H"	78.933592
"1350075"	141.009007	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+DMSO+H"	79.021207
"1017143"	145.048176	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2ACN+H"	83.060376
"1537459"	146.041808	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+IsoProp+Na+H"	84.054008
"1002079"	73.027726	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+2ACN+2H"	84.067652
"1602422"	146.956428	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+K+HCOOH"	84.968628
"1428810"	176.987938	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+H+CF3COOH"	115.000138
"1159095"	93.541001	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+3ACN+2H"	125.094202
"1707553"	194.014485	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+NH4+CF3COOH"	132.026685
"1644297"	198.96988	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+Na+CF3COOH"	136.98208
"1575574"	214.94382	"C16845"	"Peroxynitrite"	"NO3"	"61.9878"	"M+K+CF3COOH"	152.95602
"816152"	292.1576	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M"	0
"986036"	273.13921	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H2O-H"	-19.01839
"76832"	193.764457333333	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-3H"	-3.021828
"509465"	291.150324	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-3H"	-3.021828
"892735"	96.3785906666667	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-3H"	-3.021828
"10214"	291.150324	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H"	-2.014552
"447588"	437.229124	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H"	-2.014552
"823201"	145.071524	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H"	-2.014552
"90492"	583.307924	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-H"	-1.007276
"530784"	875.465524	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-H"	-1.007276
"908951"	291.150324	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H"	-1.007276
"58219"	600.334471	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H+NH4"	16.019271
"496686"	892.492071	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H+NH4"	16.019271
"874486"	308.176871	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H+NH4"	16.019271
"40200"	605.289866	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H+Na"	20.974666
"476479"	897.447466	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H+Na"	20.974666
"859748"	313.132266	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H+Na"	20.974666
"1627098"	313.132266	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na-2H"	20.974666
"102534"	309.138663	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-H+Cl"	33.962126
"538812"	455.217463	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-H+Cl"	33.962126
"933418"	163.059863	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+Cl"	33.962126
"269789"	619.284602	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Cl"	34.969402
"662331"	911.442202	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+Cl"	34.969402
"1281175"	327.127002	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl"	34.969402
"20450"	621.263806	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M-2H+K"	36.948606
"455790"	913.421406	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M-2H+K"	36.948606
"832891"	329.106206	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-2H+K"	36.948606
"1556562"	329.106206	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K-2H"	36.948606
"948093"	337.155794	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+HCOOH"	44.998194
"363026"	629.313401	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+HCOOH-H"	44.998201
"346546"	643.329051	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Hac-H"	59.013851
"1493147"	351.171451	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Hac-H"	59.013851
"959027"	359.137751	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+NaCOOH"	66.980151
"110853"	327.127002	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2Cl"	69.938804
"550082"	473.205802	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2Cl"	69.938804
"1021349"	181.048202	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2Cl"	69.938804
"1244142"	371.076485	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Br"	78.918885
"1306103"	373.132472	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl+HCOOH"	80.974872
"1323361"	395.114429	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl+NaCOOH"	102.956829
"914784"	405.143186	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M-H+CF3COOH"	112.985586
"1292585"	441.119864	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Cl+CF3COOH"	148.962264
"1376580"	257.144924	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H-2H2O"	-35.012676
"1390067"	275.1549	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H-H2O"	-17.0027
"296680"	585.322476	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H"	1.007276
"687278"	877.480076	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H"	1.007276
"1363262"	293.164876	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H"	1.007276
"138706"	293.164876	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2H"	2.014552
"578995"	439.243676	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2H"	2.014552
"1040867"	147.086076	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2H"	2.014552
"208766"	195.779009333333	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+3H"	3.021828
"645292"	293.164876	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+3H"	3.021828
"1166460"	98.3931426666667	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+3H"	3.021828
"426452"	602.349023	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+NH4"	18.033823
"790728"	894.506623	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+NH4"	18.033823
"1682682"	310.191423	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+NH4"	18.033823
"335332"	301.6781495	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H+NH4"	19.041099
"726660"	447.7569495	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H+NH4"	19.041099
"1480843"	155.5993495	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+NH4"	19.041099
"395878"	607.304418	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Na"	22.989218
"756875"	899.462018	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+Na"	22.989218
"1610449"	315.146818	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na"	22.989218
"317202"	304.155847	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H+Na"	23.996494
"709620"	450.234647	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H+Na"	23.996494
"1470010"	158.077047	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+Na"	23.996494
"1064352"	105.720456666667	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2H+Na"	25.00377
"1269310"	325.191086	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+CH3OH+H"	33.033486
"386788"	623.278358	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+K"	38.963158
"749609"	915.435958	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+K"	38.963158
"1547650"	331.120758	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K"	38.963158
"308839"	312.142817	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+H+K"	39.970434
"693969"	458.221617	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+H+K"	39.970434
"1448885"	166.064017	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+K"	39.970434
"248798"	626.349026	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+ACN+H"	42.033826
"1225491"	334.191426	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+ACN+H"	42.033826
"1209408"	167.599351	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+ACN+2H"	43.041102
"203737"	629.28636	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2Na-H"	44.97116
"641834"	921.44396	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2Na-H"	44.97116
"1144611"	337.12876	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2Na-H"	44.97116
"182068"	315.146818	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2Na"	45.978436
"624178"	461.225618	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2Na"	45.978436
"1122946"	169.068018	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2Na"	45.978436
"1408292"	113.047770666667	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+2Na"	46.985712
"1439313"	339.170346	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+HCOOH"	47.012746
"234116"	320.17984	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+3H2O+2H"	56.04448
"1523842"	353.22239	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+IsoProp+H"	61.06479
"421868"	323.133788	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+Na+K"	61.952376
"781402"	469.212588	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+Na+K"	61.952376
"1678101"	177.054988	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na+K"	61.952376
"263163"	648.330968	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+ACN+Na"	64.015768
"1234777"	356.173368	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+ACN+Na"	64.015768
"1722570"	356.196893	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+NH4+HCOOH"	64.039293
"1187922"	120.375084666667	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+3Na"	68.967654
"1665364"	361.152288	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na+HCOOH"	68.994688
"170520"	661.23424	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2K-H"	76.91904
"611907"	953.39184	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2K-H"	76.91904
"1096415"	369.07664	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2K-H"	76.91904
"153959"	331.120758	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"2M+2K"	77.926316
"593520"	477.199558	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"3M+2K"	77.926316
"1080581"	185.041958	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2K"	77.926316
"1111610"	371.091192	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2K+H"	78.933592
"1349455"	371.178807	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+DMSO+H"	79.021207
"1017618"	375.217976	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2ACN+H"	83.060376
"1536110"	376.211608	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+IsoProp+Na+H"	84.054008
"1001825"	188.112626	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+2ACN+2H"	84.067652
"1601437"	377.126228	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K+HCOOH"	84.968628
"1429883"	407.157738	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+H+CF3COOH"	115.000138
"1157017"	208.625901	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+3ACN+2H"	125.094202
"1708757"	424.184285	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+NH4+CF3COOH"	132.026685
"1644407"	429.13968	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+Na+CF3COOH"	136.98208
"1575684"	445.11362	"C16846"	"Cinchonidinone;(8alpha)-Cinchonan-9-one"	"C19H20N2O"	"292.1576"	"M+K+CF3COOH"	152.95602
"814800"	1111.6417	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M"	0
"987239"	1092.62331	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-H2O-H"	-19.01839
"77185"	740.087190666667	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M-3H"	-3.021828
"510668"	1110.634424	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M-3H"	-3.021828
"892845"	369.539957333333	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-3H"	-3.021828
"10324"	1110.634424	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M-2H"	-2.014552
"448791"	1666.455274	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M-2H"	-2.014552
"825497"	554.813574	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-2H"	-2.014552
"89874"	2222.276124	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M-H"	-1.007276
"530529"	3333.917824	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M-H"	-1.007276
"907967"	1110.634424	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-H"	-1.007276
"58329"	2239.302671	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M-2H+NH4"	16.019271
"498254"	3350.944371	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M-2H+NH4"	16.019271
"872409"	1127.660971	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-2H+NH4"	16.019271
"39216"	2244.258066	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M-2H+Na"	20.974666
"476589"	3355.899766	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M-2H+Na"	20.974666
"857671"	1132.616366	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-2H+Na"	20.974666
"1628302"	1132.616366	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Na-2H"	20.974666
"104467"	1128.622763	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M-H+Cl"	33.962126
"540015"	1684.443613	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M-H+Cl"	33.962126
"933528"	572.801913	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-H+Cl"	33.962126
"270992"	2258.252802	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+Cl"	34.969402
"662320"	3369.894502	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+Cl"	34.969402
"1282378"	1146.611102	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Cl"	34.969402
"17401"	2260.232006	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M-2H+K"	36.948606
"456231"	3371.873706	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M-2H+K"	36.948606
"833093"	1148.590306	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-2H+K"	36.948606
"1556183"	1148.590306	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+K-2H"	36.948606
"950025"	1156.639894	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-H+HCOOH"	44.998194
"363865"	2268.281601	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+HCOOH-H"	44.998201
"347749"	2282.297251	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+Hac-H"	59.013851
"1493784"	1170.655551	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Hac-H"	59.013851
"958729"	1178.621851	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-H+NaCOOH"	66.980151
"111084"	1146.611102	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+2Cl"	69.938804
"550156"	1702.431952	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+2Cl"	69.938804
"1021357"	590.790252	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2Cl"	69.938804
"1241407"	1190.560585	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Br"	78.918885
"1304551"	1192.616572	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Cl+HCOOH"	80.974872
"1327480"	1214.598529	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Cl+NaCOOH"	102.956829
"914164"	1224.627286	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M-H+CF3COOH"	112.985586
"1293423"	1260.603964	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Cl+CF3COOH"	148.962264
"1371584"	1076.629024	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H-2H2O"	-35.012676
"1386894"	1094.639	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H-H2O"	-17.0027
"287675"	2224.290676	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+H"	1.007276
"687024"	3335.932376	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+H"	1.007276
"1354259"	1112.648976	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H"	1.007276
"132619"	1112.648976	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+2H"	2.014552
"576189"	1668.469826	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+2H"	2.014552
"1039155"	556.828126	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2H"	2.014552
"204746"	742.101742666667	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+3H"	3.021828
"645162"	1112.648976	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+3H"	3.021828
"1169850"	371.554509333333	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+3H"	3.021828
"430935"	2241.317223	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+NH4"	18.033823
"790838"	3352.958923	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+NH4"	18.033823
"1682913"	1129.675523	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+NH4"	18.033823
"333256"	1121.1622495	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+H+NH4"	19.041099
"725676"	1676.9830995	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+H+NH4"	19.041099
"1479496"	565.3413995	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H+NH4"	19.041099
"394892"	2246.272618	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+Na"	22.989218
"755891"	3357.914318	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+Na"	22.989218
"1607278"	1134.630918	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Na"	22.989218
"317675"	1123.639947	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+H+Na"	23.996494
"707903"	1679.460797	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+H+Na"	23.996494
"1469026"	567.819097	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H+Na"	23.996494
"1063367"	378.881823333333	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2H+Na"	25.00377
"1268327"	1144.675186	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+CH3OH+H"	33.033486
"385805"	2262.246558	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+K"	38.963158
"748990"	3373.888258	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+K"	38.963158
"1546666"	1150.604858	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+K"	38.963158
"308219"	1131.626917	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+H+K"	39.970434
"695172"	1687.447767	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+H+K"	39.970434
"1448995"	575.806067	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H+K"	39.970434
"249268"	2265.317226	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+ACN+H"	42.033826
"1224912"	1153.675526	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+ACN+H"	42.033826
"1209156"	577.341401	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+ACN+2H"	43.041102
"203367"	2268.25456	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+2Na-H"	44.97116
"642308"	3379.89626	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+2Na-H"	44.97116
"1145085"	1156.61286	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2Na-H"	44.97116
"184364"	1134.630918	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+2Na"	45.978436
"626110"	1690.451768	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+2Na"	45.978436
"1125242"	578.810068	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2Na"	45.978436
"1407673"	386.209137333333	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H+2Na"	46.985712
"1440152"	1158.654446	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H+HCOOH"	47.012746
"235522"	1139.66394	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+3H2O+2H"	56.04448
"1523506"	1172.70649	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+IsoProp+H"	61.06479
"423434"	1142.617888	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+Na+K"	61.952376
"776044"	1698.438738	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+Na+K"	61.952376
"1678939"	586.797038	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Na+K"	61.952376
"264366"	2287.299168	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+ACN+Na"	64.015768
"1238166"	1175.657468	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+ACN+Na"	64.015768
"1723773"	1175.680993	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+NH4+HCOOH"	64.039293
"1188032"	393.536451333333	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+3Na"	68.967654
"1663043"	1180.636388	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Na+HCOOH"	68.994688
"169537"	2300.20244	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+2K-H"	76.91904
"610194"	3411.84414	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+2K-H"	76.91904
"1095434"	1188.56074	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2K-H"	76.91904
"150788"	1150.604858	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"2M+2K"	77.926316
"589259"	1706.425708	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"3M+2K"	77.926316
"1076685"	594.784008	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2K"	77.926316
"1108437"	1190.575292	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2K+H"	78.933592
"1344821"	1190.662907	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+DMSO+H"	79.021207
"1019551"	1194.702076	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2ACN+H"	83.060376
"1536222"	1195.695708	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+IsoProp+Na+H"	84.054008
"999749"	597.854676	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+2ACN+2H"	84.067652
"1601549"	1196.610328	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+K+HCOOH"	84.968628
"1429480"	1226.641838	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+H+CF3COOH"	115.000138
"1157127"	618.367951	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+3ACN+2H"	125.094202
"1706680"	1243.668385	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+NH4+CF3COOH"	132.026685
"1644517"	1248.62378	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+Na+CF3COOH"	136.98208
"1575794"	1264.59772	"C16847"	"Didemnin B"	"C57H89N7O15"	"1111.6417"	"M+K+CF3COOH"	152.95602
"813817"	242.0192	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M"	0
"987714"	223.00081	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-H2O-H"	-19.01839
"75592"	160.338857333333	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M-3H"	-3.021828
"510778"	241.011924	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M-3H"	-3.021828
"889673"	79.6657906666667	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-3H"	-3.021828
"7152"	241.011924	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M-2H"	-2.014552
"446715"	362.021524	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M-2H"	-2.014552
"825608"	120.002324	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-2H"	-2.014552
"89982"	483.031124	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M-H"	-1.007276
"529544"	725.050324	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M-H"	-1.007276
"906252"	241.011924	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-H"	-1.007276
"57345"	500.057671	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M-2H+NH4"	16.019271
"499092"	742.076871	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M-2H+NH4"	16.019271
"870332"	258.038471	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-2H+NH4"	16.019271
"40420"	505.013066	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M-2H+Na"	20.974666
"477793"	747.032266	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M-2H+Na"	20.974666
"854500"	262.993866	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-2H+Na"	20.974666
"1629505"	262.993866	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Na-2H"	20.974666
"102753"	259.000263	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M-H+Cl"	33.962126
"540125"	380.009863	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M-H+Cl"	33.962126
"929265"	137.990663	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-H+Cl"	33.962126
"267940"	519.007802	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+Cl"	34.969402
"660847"	761.027002	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+Cl"	34.969402
"1274102"	276.988602	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Cl"	34.969402
"16168"	520.987006	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M-2H+K"	36.948606
"460596"	763.006206	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M-2H+K"	36.948606
"832858"	278.967806	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-2H+K"	36.948606
"1555657"	278.967806	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+K-2H"	36.948606
"948313"	287.017394	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-H+HCOOH"	44.998194
"364340"	529.036601	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+HCOOH-H"	44.998201
"348954"	543.052251	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+Hac-H"	59.013851
"1495598"	301.033051	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Hac-H"	59.013851
"958571"	308.999351	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-H+NaCOOH"	66.980151
"111682"	276.988602	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+2Cl"	69.938804
"550061"	397.998202	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+2Cl"	69.938804
"1021863"	155.979002	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2Cl"	69.938804
"1241921"	320.938085	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Br"	78.918885
"1304227"	322.994072	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Cl+HCOOH"	80.974872
"1325768"	344.976029	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Cl+NaCOOH"	102.956829
"915003"	355.004786	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M-H+CF3COOH"	112.985586
"1290251"	390.981464	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Cl+CF3COOH"	148.962264
"1367805"	207.006524	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H-2H2O"	-35.012676
"1387003"	225.0165	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H-H2O"	-17.0027
"285599"	485.045676	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+H"	1.007276
"687134"	727.064876	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+H"	1.007276
"1354369"	243.026476	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H"	1.007276
"129449"	243.026476	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+2H"	2.014552
"573383"	364.036076	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+2H"	2.014552
"1038172"	122.016876	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2H"	2.014552
"205219"	162.353409333333	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+3H"	3.021828
"644416"	243.026476	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+3H"	3.021828
"1167773"	81.6803426666667	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+3H"	3.021828
"426672"	502.072223	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+NH4"	18.033823
"789855"	744.091423	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+NH4"	18.033823
"1682050"	260.053023	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+NH4"	18.033823
"333366"	251.5397495	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+H+NH4"	19.041099
"724693"	372.5493495	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+H+NH4"	19.041099
"1479238"	130.5301495	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H+NH4"	19.041099
"393099"	507.027618	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+Na"	22.989218
"754364"	749.046818	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+Na"	22.989218
"1607388"	265.008418	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Na"	22.989218
"318514"	254.017447	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+H+Na"	23.996494
"708011"	375.027047	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+H+Na"	23.996494
"1469136"	133.007847	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H+Na"	23.996494
"1061291"	89.0076566666667	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2H+Na"	25.00377
"1268436"	275.052686	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+CH3OH+H"	33.033486
"383729"	523.001558	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+K"	38.963158
"745818"	765.020758	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+K"	38.963158
"1545680"	280.982358	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+K"	38.963158
"303956"	262.004417	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+H+K"	39.970434
"692730"	383.014017	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+H+K"	39.970434
"1448008"	140.994817	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H+K"	39.970434
"249378"	526.072226	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+ACN+H"	42.033826
"1225383"	284.053026	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+ACN+H"	42.033826
"1208533"	142.530151	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+ACN+2H"	43.041102
"203351"	529.00956	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+2Na-H"	44.97116
"643026"	771.02876	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+2Na-H"	44.97116
"1145683"	286.99036	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2Na-H"	44.97116
"185930"	265.008418	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+2Na"	45.978436
"628392"	386.018018	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+2Na"	45.978436
"1130455"	143.998818	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2Na"	45.978436
"1412153"	96.3349706666667	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H+2Na"	46.985712
"1442080"	289.031946	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H+HCOOH"	47.012746
"228499"	270.04144	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+3H2O+2H"	56.04448
"1514374"	303.08399	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+IsoProp+H"	61.06479
"422813"	272.995388	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+Na+K"	61.952376
"778340"	394.004988	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+Na+K"	61.952376
"1675766"	151.985788	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Na+K"	61.952376
"262286"	548.054168	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+ACN+Na"	64.015768
"1239007"	306.034968	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+ACN+Na"	64.015768
"1726439"	306.058493	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+NH4+HCOOH"	64.039293
"1192155"	103.662284666667	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+3Na"	68.967654
"1664372"	311.013888	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Na+HCOOH"	68.994688
"170737"	560.95744	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+2K-H"	76.91904
"609565"	802.97664	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+2K-H"	76.91904
"1096996"	318.93824	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2K-H"	76.91904
"153084"	280.982358	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"2M+2K"	77.926316
"592651"	401.991958	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"3M+2K"	77.926316
"1077522"	159.972758	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2K"	77.926316
"1109640"	320.952792	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2K+H"	78.933592
"1347121"	321.040407	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+DMSO+H"	79.021207
"1017470"	325.079576	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2ACN+H"	83.060376
"1536692"	326.073208	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+IsoProp+Na+H"	84.054008
"1001684"	163.043426	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+2ACN+2H"	84.067652
"1600928"	326.987828	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+K+HCOOH"	84.968628
"1429508"	357.019338	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+H+CF3COOH"	115.000138
"1157240"	183.556701	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+3ACN+2H"	125.094202
"1707885"	374.045885	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+NH4+CF3COOH"	132.026685
"1645722"	379.00128	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+Na+CF3COOH"	136.98208
"1575904"	394.97522	"C16848"	"6-Deoxy-5-ketofructose 1-phosphate;1-Deoxy-D-threo-hexo-25-diulose 6-phosphate"	"C6H11O8P"	"242.0192"	"M+K+CF3COOH"	152.95602
"816113"	167.9824	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M"	0
"987459"	148.96401	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-H2O-H"	-19.01839
"76795"	110.980990666667	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M-3H"	-3.021828
"511981"	166.975124	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M-3H"	-3.021828
"887595"	54.9868573333333	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-3H"	-3.021828
"5075"	166.975124	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M-2H"	-2.014552
"447918"	250.966324	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M-2H"	-2.014552
"820249"	82.983924	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-2H"	-2.014552
"90089"	334.957524	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M-H"	-1.007276
"529653"	502.939924	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M-H"	-1.007276
"907455"	166.975124	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-H"	-1.007276
"58548"	351.984071	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M-2H+NH4"	16.019271
"499202"	519.966471	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M-2H+NH4"	16.019271
"873722"	184.001671	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-2H+NH4"	16.019271
"41623"	356.939466	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M-2H+Na"	20.974666
"478996"	524.921866	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M-2H+Na"	20.974666
"852422"	188.957066	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-2H+Na"	20.974666
"1631801"	188.957066	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Na-2H"	20.974666
"100674"	184.963463	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M-H+Cl"	33.962126
"540235"	268.954663	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M-H+Cl"	33.962126
"929375"	100.972263	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-H+Cl"	33.962126
"267441"	370.934202	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+Cl"	34.969402
"660836"	538.916602	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+Cl"	34.969402
"1273969"	202.951802	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Cl"	34.969402
"16196"	372.913406	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M-2H+K"	36.948606
"460706"	540.895806	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M-2H+K"	36.948606
"833072"	204.931006	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-2H+K"	36.948606
"1555871"	204.931006	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+K-2H"	36.948606
"948424"	212.980594	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-H+HCOOH"	44.998194
"362627"	380.963001	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+HCOOH-H"	44.998201
"348336"	394.978651	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+Hac-H"	59.013851
"1495344"	226.996251	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Hac-H"	59.013851
"959238"	234.962551	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-H+NaCOOH"	66.980151
"111064"	202.951802	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+2Cl"	69.938804
"551831"	286.943002	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+2Cl"	69.938804
"1021483"	118.960602	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2Cl"	69.938804
"1243005"	246.901285	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Br"	78.918885
"1304885"	248.957272	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Cl+HCOOH"	80.974872
"1323691"	270.939229	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Cl+NaCOOH"	102.956829
"911869"	280.967986	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M-H+CF3COOH"	112.985586
"1289997"	316.944664	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Cl+CF3COOH"	148.962264
"1367221"	132.969724	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H-2H2O"	-35.012676
"1384926"	150.9797	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H-H2O"	-17.0027
"286072"	336.972076	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+H"	1.007276
"677035"	504.954476	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+H"	1.007276
"1354844"	168.989676	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H"	1.007276
"129194"	168.989676	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+2H"	2.014552
"573128"	252.980876	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+2H"	2.014552
"1038160"	84.998476	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2H"	2.014552
"206058"	112.995542666667	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+3H"	3.021828
"644513"	168.989676	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+3H"	3.021828
"1163139"	57.0014093333333	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+3H"	3.021828
"427873"	353.998623	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+NH4"	18.033823
"788870"	521.981023	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+NH4"	18.033823
"1682039"	186.016223	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+NH4"	18.033823
"332383"	177.5029495	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+H+NH4"	19.041099
"724803"	261.4941495	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+H+NH4"	19.041099
"1479714"	93.5117495	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H+NH4"	19.041099
"395112"	358.954018	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+Na"	22.989218
"754651"	526.936418	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+Na"	22.989218
"1605309"	190.971618	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Na"	22.989218
"314611"	179.980647	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+H+Na"	23.996494
"707434"	263.971847	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+H+Na"	23.996494
"1471433"	95.989447	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H+Na"	23.996494
"1062494"	64.3287233333333	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2H+Na"	25.00377
"1268546"	201.015886	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+CH3OH+H"	33.033486
"384932"	374.927958	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+K"	38.963158
"747021"	542.910358	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+K"	38.963158
"1544697"	206.945558	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+K"	38.963158
"300784"	187.967617	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+H+K"	39.970434
"692111"	271.958817	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+H+K"	39.970434
"1446658"	103.976417	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H+K"	39.970434
"249124"	377.998626	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+ACN+H"	42.033826
"1225335"	210.016226	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+ACN+H"	42.033826
"1209656"	105.511751	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+ACN+2H"	43.041102
"204016"	380.93596	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+2Na-H"	44.97116
"643745"	548.91836	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+2Na-H"	44.97116
"1146280"	212.95356	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2Na-H"	44.97116
"187258"	190.971618	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+2Na"	45.978436
"628520"	274.962818	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+2Na"	45.978436
"1129837"	106.980418	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2Na"	45.978436
"1411534"	71.6560373333333	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H+2Na"	46.985712
"1442191"	214.995146	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H+HCOOH"	47.012746
"228608"	196.00464	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+3H2O+2H"	56.04448
"1514484"	229.04719	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+IsoProp+H"	61.06479
"419643"	198.958588	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+Na+K"	61.952376
"777357"	282.949788	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+Na+K"	61.952376
"1676969"	114.967388	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Na+K"	61.952376
"264583"	399.980568	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+ACN+Na"	64.015768
"1239481"	231.998168	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+ACN+Na"	64.015768
"1727399"	232.021693	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+NH4+HCOOH"	64.039293
"1192630"	78.9833513333333	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+3Na"	68.967654
"1663627"	236.977088	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Na+HCOOH"	68.994688
"171212"	412.88384	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+2K-H"	76.91904
"611738"	580.86624	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+2K-H"	76.91904
"1093458"	244.90144	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2K-H"	76.91904
"151369"	206.945558	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"2M+2K"	77.926316
"592761"	290.936758	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"3M+2K"	77.926316
"1079819"	122.954358	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2K"	77.926316
"1111937"	246.915992	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2K+H"	78.933592
"1345771"	247.003607	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+DMSO+H"	79.021207
"1017579"	251.042776	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2ACN+H"	83.060376
"1536071"	252.036408	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+IsoProp+Na+H"	84.054008
"1001429"	126.025026	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+2ACN+2H"	84.067652
"1601403"	252.951028	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+K+HCOOH"	84.968628
"1428881"	282.982538	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+H+CF3COOH"	115.000138
"1155163"	146.538301	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+3ACN+2H"	125.094202
"1706902"	300.009085	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+NH4+CF3COOH"	132.026685
"1643645"	304.96448	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+Na+CF3COOH"	136.98208
"1576014"	320.93842	"C16849"	"Hydroxypyruvaldehyde phosphate;23-Dioxopropyl phosphate"	"C3H5O6P"	"167.9824"	"M+K+CF3COOH"	152.95602
"816472"	191.0794	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M"	0
"989030"	172.06101	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-H2O-H"	-19.01839
"73626"	126.378990666667	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M-3H"	-3.021828
"509904"	190.072124	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M-3H"	-3.021828
"890986"	62.6858573333333	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-3H"	-3.021828
"8467"	190.072124	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M-2H"	-2.014552
"448028"	285.611824	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M-2H"	-2.014552
"819266"	94.532424	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-2H"	-2.014552
"90199"	381.151524	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M-H"	-1.007276
"529763"	572.230924	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M-H"	-1.007276
"909997"	190.072124	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-H"	-1.007276
"58658"	398.178071	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M-2H+NH4"	16.019271
"498219"	589.257471	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M-2H+NH4"	16.019271
"873832"	207.098671	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-2H+NH4"	16.019271
"41733"	403.133466	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M-2H+Na"	20.974666
"476919"	594.212866	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M-2H+Na"	20.974666
"852532"	212.054066	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-2H+Na"	20.974666
"1619881"	212.054066	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Na-2H"	20.974666
"94318"	208.060463	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M-H+Cl"	33.962126
"535970"	303.600163	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M-H+Cl"	33.962126
"927077"	112.520763	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-H+Cl"	33.962126
"267151"	417.128202	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+Cl"	34.969402
"660010"	608.207602	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+Cl"	34.969402
"1273348"	226.048802	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Cl"	34.969402
"15724"	419.107406	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M-2H+K"	36.948606
"455740"	610.186806	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M-2H+K"	36.948606
"832949"	228.028006	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-2H+K"	36.948606
"1555778"	228.028006	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+K-2H"	36.948606
"944158"	236.077594	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-H+HCOOH"	44.998194
"362121"	427.157001	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+HCOOH-H"	44.998201
"347718"	441.172651	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+Hac-H"	59.013851
"1494483"	250.093251	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Hac-H"	59.013851
"958657"	258.059551	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-H+NaCOOH"	66.980151
"112633"	226.048802	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+2Cl"	69.938804
"550484"	321.588502	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+2Cl"	69.938804
"1021554"	130.509102	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2Cl"	69.938804
"1242386"	269.998285	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Br"	78.918885
"1304198"	272.054272	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Cl+HCOOH"	80.974872
"1323801"	294.036229	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Cl+NaCOOH"	102.956829
"911736"	304.064986	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M-H+CF3COOH"	112.985586
"1290471"	340.041664	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Cl+CF3COOH"	148.962264
"1367079"	156.066724	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H-2H2O"	-35.012676
"1385400"	174.0767	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H-H2O"	-17.0027
"285453"	383.166076	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+H"	1.007276
"677510"	574.245476	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+H"	1.007276
"1352403"	192.086676	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H"	1.007276
"129668"	192.086676	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+2H"	2.014552
"570322"	287.626376	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+2H"	2.014552
"1038270"	96.546976	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2H"	2.014552
"207018"	128.393542666667	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+3H"	3.021828
"644244"	192.086676	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+3H"	3.021828
"1163370"	64.7004093333333	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+3H"	3.021828
"426890"	400.192623	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+NH4"	18.033823
"788979"	591.272023	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+NH4"	18.033823
"1682028"	209.113223	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+NH4"	18.033823
"331400"	200.5999495	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+H+NH4"	19.041099
"724184"	296.1396495	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+H+NH4"	19.041099
"1480552"	105.0602495	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H+NH4"	19.041099
"395587"	405.148018	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+Na"	22.989218
"755853"	596.227418	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+Na"	22.989218
"1603953"	214.068618	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Na"	22.989218
"316540"	203.077647	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+H+Na"	23.996494
"708230"	298.617347	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+H+Na"	23.996494
"1469356"	107.537947	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H+Na"	23.996494
"1057496"	72.0277233333333	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2H+Na"	25.00377
"1264282"	224.112886	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+CH3OH+H"	33.033486
"385042"	421.121958	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+K"	38.963158
"744945"	612.201358	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+K"	38.963158
"1542256"	230.042558	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+K"	38.963158
"299069"	211.064617	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+H+K"	39.970434
"695497"	306.604317	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+H+K"	39.970434
"1446039"	115.524917	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H+K"	39.970434
"243402"	424.192626	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+ACN+H"	42.033826
"1224873"	233.113226	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+ACN+H"	42.033826
"1208385"	117.060251	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+ACN+2H"	43.041102
"204139"	427.12996	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+2Na-H"	44.97116
"643613"	618.20936	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+2Na-H"	44.97116
"1145416"	236.05056	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2Na-H"	44.97116
"187247"	214.068618	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+2Na"	45.978436
"627780"	309.608318	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+2Na"	45.978436
"1128849"	118.528918	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2Na"	45.978436
"1410185"	79.3550373333333	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H+2Na"	46.985712
"1441207"	238.092146	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H+HCOOH"	47.012746
"227625"	219.10164	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+3H2O+2H"	56.04448
"1514594"	252.14419	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+IsoProp+H"	61.06479
"413186"	222.055588	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+Na+K"	61.952376
"776374"	317.595288	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+Na+K"	61.952376
"1674893"	126.515888	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Na+K"	61.952376
"261413"	446.174568	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+ACN+Na"	64.015768
"1238498"	255.095168	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+ACN+Na"	64.015768
"1726662"	255.118693	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+NH4+HCOOH"	64.039293
"1193105"	86.6823513333333	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+3Na"	68.967654
"1662277"	260.074088	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Na+HCOOH"	68.994688
"171686"	459.07784	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+2K-H"	76.91904
"609783"	650.15724	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+2K-H"	76.91904
"1095754"	267.99844	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2K-H"	76.91904
"152572"	230.042558	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"2M+2K"	77.926316
"593234"	325.582258	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"3M+2K"	77.926316
"1077742"	134.502858	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2K"	77.926316
"1110589"	270.012992	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2K+H"	78.933592
"1345881"	270.100607	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+DMSO+H"	79.021207
"1015866"	274.139776	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2ACN+H"	83.060376
"1536910"	275.133408	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+IsoProp+Na+H"	84.054008
"1003725"	137.573526	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+2ACN+2H"	84.067652
"1601635"	276.048028	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+K+HCOOH"	84.968628
"1428627"	306.079538	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+H+CF3COOH"	115.000138
"1151994"	158.086801	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+3ACN+2H"	125.094202
"1708106"	323.106085	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+NH4+CF3COOH"	132.026685
"1642662"	328.06148	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+Na+CF3COOH"	136.98208
"1576124"	344.03542	"C16850"	"2-Amino-37-dideoxy-D-threo-hept-6-ulosonic acid"	"C7H13NO5"	"191.0794"	"M+K+CF3COOH"	152.95602
"816579"	2678.4796	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M"	0
"989262"	2659.46121	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-H2O-H"	-19.01839
"73736"	1784.64579066667	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M-3H"	-3.021828
"510014"	2677.472324	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M-3H"	-3.021828
"890003"	891.819257333333	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-3H"	-3.021828
"8577"	2677.472324	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M-2H"	-2.014552
"443764"	4016.712124	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M-2H"	-2.014552
"818283"	1338.232524	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-2H"	-2.014552
"90309"	5355.951924	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M-H"	-1.007276
"529873"	8034.431524	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M-H"	-1.007276
"909257"	2677.472324	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-H"	-1.007276
"58768"	5372.978471	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M-2H+NH4"	16.019271
"499422"	8051.458071	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M-2H+NH4"	16.019271
"873942"	2694.498871	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-2H+NH4"	16.019271
"41843"	5377.933866	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M-2H+Na"	20.974666
"477029"	8056.413466	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M-2H+Na"	20.974666
"851549"	2699.454266	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-2H+Na"	20.974666
"1621083"	2699.454266	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Na-2H"	20.974666
"94487"	2695.460663	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M-H+Cl"	33.962126
"534611"	4034.700463	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M-H+Cl"	33.962126
"927519"	1356.220863	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-H+Cl"	33.962126
"267207"	5391.928602	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+Cl"	34.969402
"659999"	8070.408202	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+Cl"	34.969402
"1273212"	2713.449002	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Cl"	34.969402
"16126"	5393.907806	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M-2H+K"	36.948606
"456056"	8072.387406	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M-2H+K"	36.948606
"832868"	2715.428206	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-2H+K"	36.948606
"1556252"	2715.428206	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+K-2H"	36.948606
"944996"	2723.477794	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-H+HCOOH"	44.998194
"362112"	5401.957401	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+HCOOH-H"	44.998201
"347828"	5415.973051	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+Hac-H"	59.013851
"1493372"	2737.493451	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Hac-H"	59.013851
"960188"	2745.459751	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-H+NaCOOH"	66.980151
"113472"	2713.449002	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+2Cl"	69.938804
"550272"	4052.688802	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+2Cl"	69.938804
"1021472"	1374.209202	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2Cl"	69.938804
"1241645"	2757.398485	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Br"	78.918885
"1304334"	2759.454472	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Cl+HCOOH"	80.974872
"1322089"	2781.436429	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Cl+NaCOOH"	102.956829
"912170"	2791.465186	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M-H+CF3COOH"	112.985586
"1288756"	2827.441864	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Cl+CF3COOH"	148.962264
"1367645"	2643.466924	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H-2H2O"	-35.012676
"1383438"	2661.4769	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H-H2O"	-17.0027
"284470"	5357.966476	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+H"	1.007276
"678350"	8036.446076	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+H"	1.007276
"1354700"	2679.486876	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H"	1.007276
"129778"	2679.486876	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+2H"	2.014552
"570432"	4018.726676	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+2H"	2.014552
"1038622"	1340.247076	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2H"	2.014552
"205790"	1786.66034266667	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+3H"	3.021828
"644431"	2679.486876	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+3H"	3.021828
"1163351"	893.833809333333	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+3H"	3.021828
"425906"	5374.993023	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+NH4"	18.033823
"789089"	8053.472623	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+NH4"	18.033823
"1681892"	2696.513423	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+NH4"	18.033823
"336979"	2688.0001495	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+H+NH4"	19.041099
"727213"	4027.2399495	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+H+NH4"	19.041099
"1477993"	1348.7603495	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H+NH4"	19.041099
"394365"	5379.948418	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+Na"	22.989218
"754872"	8058.428018	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+Na"	22.989218
"1604183"	2701.468818	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Na"	22.989218
"315193"	2690.477847	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+H+Na"	23.996494
"707976"	4029.717647	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+H+Na"	23.996494
"1469466"	1351.238047	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H+Na"	23.996494
"1058336"	901.161123333333	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2H+Na"	25.00377
"1264391"	2711.513086	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+CH3OH+H"	33.033486
"387340"	5395.922358	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+K"	38.963158
"748336"	8074.401958	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+K"	38.963158
"1544921"	2717.442758	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+K"	38.963158
"300638"	2698.464817	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+H+K"	39.970434
"692082"	4037.704617	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+H+K"	39.970434
"1445785"	1359.225017	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H+K"	39.970434
"243512"	5398.993026	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+ACN+H"	42.033826
"1224249"	2720.513426	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+ACN+H"	42.033826
"1208861"	1360.760351	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+ACN+2H"	43.041102
"203684"	5401.93036	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+2Na-H"	44.97116
"643114"	8080.40996	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+2Na-H"	44.97116
"1144554"	2723.45076	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2Na-H"	44.97116
"188088"	2701.468818	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+2Na"	45.978436
"627894"	4040.708618	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+2Na"	45.978436
"1128595"	1362.229018	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2Na"	45.978436
"1413340"	908.488437333333	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H+2Na"	46.985712
"1442412"	2725.492346	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H+HCOOH"	47.012746
"228828"	2706.50184	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+3H2O+2H"	56.04448
"1519081"	2739.54439	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+IsoProp+H"	61.06479
"418765"	2709.455788	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+Na+K"	61.952376
"776483"	4048.695588	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+Na+K"	61.952376
"1677189"	1370.215988	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Na+K"	61.952376
"262616"	5420.974968	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+ACN+Na"	64.015768
"1239339"	2742.495368	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+ACN+Na"	64.015768
"1727136"	2742.518893	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+NH4+HCOOH"	64.039293
"1191396"	915.815751333333	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+3Na"	68.967654
"1663116"	2747.474288	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Na+HCOOH"	68.994688
"171434"	5433.87824	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+2K-H"	76.91904
"608801"	8112.35784	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+2K-H"	76.91904
"1095135"	2755.39864	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2K-H"	76.91904
"151589"	2717.442758	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"2M+2K"	77.926316
"591883"	4056.682558	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"3M+2K"	77.926316
"1080037"	1378.202958	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2K"	77.926316
"1110693"	2757.413192	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2K+H"	78.933592
"1347080"	2757.500807	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+DMSO+H"	79.021207
"1015972"	2761.539976	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2ACN+H"	83.060376
"1536651"	2762.533608	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+IsoProp+Na+H"	84.054008
"1002739"	1381.273626	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+2ACN+2H"	84.067652
"1598336"	2763.448228	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+K+HCOOH"	84.968628
"1429223"	2793.479738	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+H+CF3COOH"	115.000138
"1149917"	1401.786901	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+3ACN+2H"	125.094202
"1707122"	2810.506285	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+NH4+CF3COOH"	132.026685
"1646052"	2815.46168	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+Na+CF3COOH"	136.98208
"1576234"	2831.43562	"C16851"	"Palytoxin"	"C129H223N3O54"	"2678.4796"	"M+K+CF3COOH"	152.95602
"817002"	1060.5759	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M"	0
"989493"	1041.55751	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-H2O-H"	-19.01839
"74939"	706.043324	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M-3H"	-3.021828
"510124"	1059.568624	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M-3H"	-3.021828
"889020"	352.518024	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-3H"	-3.021828
"8687"	1059.568624	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M-2H"	-2.014552
"448247"	1589.856574	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M-2H"	-2.014552
"819486"	529.280674	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-2H"	-2.014552
"92486"	2120.144524	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M-H"	-1.007276
"526703"	3180.720424	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M-H"	-1.007276
"907784"	1059.568624	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-H"	-1.007276
"57785"	2137.171071	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M-2H+NH4"	16.019271
"496251"	3197.746971	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M-2H+NH4"	16.019271
"874052"	1076.595171	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-2H+NH4"	16.019271
"38673"	2142.126466	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M-2H+Na"	20.974666
"477138"	3202.702366	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M-2H+Na"	20.974666
"853845"	1081.550566	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-2H+Na"	20.974666
"1623380"	1081.550566	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Na-2H"	20.974666
"94592"	1077.556963	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M-H+Cl"	33.962126
"535448"	1607.844913	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M-H+Cl"	33.962126
"928235"	547.269013	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-H+Cl"	33.962126
"268007"	2156.121202	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+Cl"	34.969402
"660591"	3216.697102	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+Cl"	34.969402
"1273566"	1095.545302	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Cl"	34.969402
"17085"	2158.100406	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M-2H+K"	36.948606
"456411"	3218.676306	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M-2H+K"	36.948606
"833482"	1097.524506	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-2H+K"	36.948606
"1557581"	1097.524506	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+K-2H"	36.948606
"945106"	1105.574094	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-H+HCOOH"	44.998194
"362826"	2166.150001	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+HCOOH-H"	44.998201
"346597"	2180.165651	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+Hac-H"	59.013851
"1494571"	1119.589751	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Hac-H"	59.013851
"959811"	1127.556051	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-H+NaCOOH"	66.980151
"111272"	1095.545302	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+2Cl"	69.938804
"551803"	1625.833252	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+2Cl"	69.938804
"1025585"	565.257352	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2Cl"	69.938804
"1241591"	1139.494785	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Br"	78.918885
"1304361"	1141.550772	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Cl+HCOOH"	80.974872
"1320485"	1163.532729	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Cl+NaCOOH"	102.956829
"912159"	1173.561486	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M-H+CF3COOH"	112.985586
"1289063"	1209.538164	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Cl+CF3COOH"	148.962264
"1368120"	1025.563224	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H-2H2O"	-35.012676
"1382984"	1043.5732	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H-H2O"	-17.0027
"284215"	2122.159076	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+H"	1.007276
"675714"	3182.734976	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+H"	1.007276
"1355174"	1061.583176	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H"	1.007276
"129157"	1061.583176	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+2H"	2.014552
"570542"	1591.871126	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+2H"	2.014552
"1037879"	531.295226	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2H"	2.014552
"206874"	708.057876	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+3H"	3.021828
"644490"	1061.583176	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+3H"	3.021828
"1162833"	354.532576	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+3H"	3.021828
"427111"	2139.185623	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+NH4"	18.033823
"788105"	3199.761523	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+NH4"	18.033823
"1686624"	1078.609723	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+NH4"	18.033823
"333810"	1070.0964495	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+H+NH4"	19.041099
"728417"	1600.3843995	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+H+NH4"	19.041099
"1481144"	539.8084995	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H+NH4"	19.041099
"393380"	2144.141018	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+Na"	22.989218
"754496"	3204.716918	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+Na"	22.989218
"1603567"	1083.565118	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Na"	22.989218
"315426"	1072.574147	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+H+Na"	23.996494
"711379"	1602.862097	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+H+Na"	23.996494
"1470669"	542.286197	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H+Na"	23.996494
"1062823"	361.85989	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2H+Na"	25.00377
"1266688"	1093.609386	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+CH3OH+H"	33.033486
"383074"	2160.114958	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+K"	38.963158
"740790"	3220.690858	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+K"	38.963158
"1546124"	1099.539058	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+K"	38.963158
"299651"	1080.561117	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+H+K"	39.970434
"691711"	1610.849067	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+H+K"	39.970434
"1447351"	550.273167	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H+K"	39.970434
"243622"	2163.185626	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+ACN+H"	42.033826
"1223631"	1102.609726	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+ACN+H"	42.033826
"1208728"	551.808501	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+ACN+2H"	43.041102
"203544"	2166.12296	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+2Na-H"	44.97116
"642986"	3226.69886	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+2Na-H"	44.97116
"1145643"	1105.54706	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2Na-H"	44.97116
"187837"	1083.565118	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+2Na"	45.978436
"627392"	1613.853068	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+2Na"	45.978436
"1124698"	553.277168	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2Na"	45.978436
"1413532"	369.187204	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H+2Na"	46.985712
"1439241"	1107.588646	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H+HCOOH"	47.012746
"224566"	1088.59814	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+3H2O+2H"	56.04448
"1519920"	1121.64069	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+IsoProp+H"	61.06479
"418511"	1091.552088	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+Na+K"	61.952376
"775497"	1621.840038	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+Na+K"	61.952376
"1678394"	561.264138	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Na+K"	61.952376
"265280"	2185.167568	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+ACN+Na"	64.015768
"1239691"	1124.591668	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+ACN+Na"	64.015768
"1727610"	1124.615193	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+NH4+HCOOH"	64.039293
"1192598"	376.514518	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+3Na"	68.967654
"1663226"	1129.570588	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Na+HCOOH"	68.994688
"171424"	2198.07084	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+2K-H"	76.91904
"609275"	3258.64674	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+2K-H"	76.91904
"1094880"	1137.49494	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2K-H"	76.91904
"152064"	1099.539058	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"2M+2K"	77.926316
"593087"	1629.827008	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"3M+2K"	77.926316
"1081240"	569.251108	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2K"	77.926316
"1110074"	1139.509492	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2K+H"	78.933592
"1346459"	1139.597107	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+DMSO+H"	79.021207
"1016083"	1143.636276	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2ACN+H"	83.060376
"1536395"	1144.629908	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+IsoProp+Na+H"	84.054008
"1002480"	572.321776	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+2ACN+2H"	84.067652
"1599537"	1145.544528	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+K+HCOOH"	84.968628
"1429870"	1175.576038	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+H+CF3COOH"	115.000138
"1157681"	592.835051	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+3ACN+2H"	125.094202
"1703952"	1192.602585	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+NH4+CF3COOH"	132.026685
"1647255"	1197.55798	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+Na+CF3COOH"	136.98208
"1576344"	1213.53192	"C16852"	"Gambiertoxin 4b;Ciguatoxin 4B;CTX-4B"	"C60H84O16"	"1060.5759"	"M+K+CF3COOH"	152.95602
"816358"	3423.5811	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M"	0
"988875"	3404.56271	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-H2O-H"	-19.01839
"77236"	2281.380124	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M-3H"	-3.021828
"510234"	3422.573824	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M-3H"	-3.021828
"890223"	1140.186424	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-3H"	-3.021828
"6609"	3422.573824	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M-2H"	-2.014552
"446171"	5134.364374	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M-2H"	-2.014552
"818503"	1710.783274	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-2H"	-2.014552
"94100"	6846.154924	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M-H"	-1.007276
"530093"	10269.736024	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M-H"	-1.007276
"907894"	3422.573824	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-H"	-1.007276
"60082"	6863.181471	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M-2H+NH4"	16.019271
"499277"	10286.762571	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M-2H+NH4"	16.019271
"872705"	3439.600371	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-2H+NH4"	16.019271
"38783"	6868.136866	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M-2H+Na"	20.974666
"477248"	10291.717966	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M-2H+Na"	20.974666
"851769"	3444.555766	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-2H+Na"	20.974666
"1620209"	3444.555766	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Na-2H"	20.974666
"94905"	3440.562163	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M-H+Cl"	33.962126
"535318"	5152.352713	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M-H+Cl"	33.962126
"928221"	1728.771613	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-H+Cl"	33.962126
"268729"	6882.131602	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+Cl"	34.969402
"661271"	10305.712702	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+Cl"	34.969402
"1273186"	3458.550502	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Cl"	34.969402
"16471"	6884.110806	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M-2H+K"	36.948606
"456884"	10307.691906	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M-2H+K"	36.948606
"834321"	3460.529706	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-2H+K"	36.948606
"1557690"	3460.529706	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+K-2H"	36.948606
"945580"	3468.579294	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-H+HCOOH"	44.998194
"363179"	6892.160401	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+HCOOH-H"	44.998201
"348410"	6906.176051	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+Hac-H"	59.013851
"1495054"	3482.594951	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Hac-H"	59.013851
"961137"	3490.561251	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-H+NaCOOH"	66.980151
"112234"	3458.550502	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+2Cl"	69.938804
"553616"	5170.341052	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+2Cl"	69.938804
"1025331"	1746.759952	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2Cl"	69.938804
"1241746"	3502.499985	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Br"	78.918885
"1304300"	3504.555972	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Cl+HCOOH"	80.974872
"1320719"	3526.537929	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Cl+NaCOOH"	102.956829
"912271"	3536.566686	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M-H+CF3COOH"	112.985586
"1290067"	3572.543364	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Cl+CF3COOH"	148.962264
"1370418"	3388.568424	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H-2H2O"	-35.012676
"1383661"	3406.5784	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H-H2O"	-17.0027
"284689"	6848.169476	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+H"	1.007276
"677835"	10271.750576	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+H"	1.007276
"1355648"	3424.588376	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H"	1.007276
"126831"	3424.588376	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+2H"	2.014552
"569557"	5136.378926	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+2H"	2.014552
"1038354"	1712.797826	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2H"	2.014552
"205286"	2283.394676	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+3H"	3.021828
"644726"	3424.588376	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+3H"	3.021828
"1164065"	1142.200976	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+3H"	3.021828
"424665"	6865.196023	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+NH4"	18.033823
"789309"	10288.777123	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+NH4"	18.033823
"1682355"	3441.614923	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+NH4"	18.033823
"335012"	3433.1016495	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+H+NH4"	19.041099
"728527"	5144.8921995	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+H+NH4"	19.041099
"1479429"	1721.3110995	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H+NH4"	19.041099
"393082"	6870.151418	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+Na"	22.989218
"754441"	10293.732518	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+Na"	22.989218
"1603677"	3446.570318	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Na"	22.989218
"315416"	3435.579347	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+H+Na"	23.996494
"708684"	5147.369897	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+H+Na"	23.996494
"1469685"	1723.788797	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H+Na"	23.996494
"1061839"	1149.52829	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2H+Na"	25.00377
"1266798"	3456.614586	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+CH3OH+H"	33.033486
"379904"	6886.125358	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+K"	38.963158
"740900"	10309.706458	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+K"	38.963158
"1542954"	3462.544258	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+K"	38.963158
"299275"	3443.566317	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+H+K"	39.970434
"692916"	5155.356867	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+H+K"	39.970434
"1447828"	1731.775767	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H+K"	39.970434
"241544"	6889.196026	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+ACN+H"	42.033826
"1223010"	3465.614926	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+ACN+H"	42.033826
"1209089"	1733.311101	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+ACN+2H"	43.041102
"203660"	6892.13336	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+2Na-H"	44.97116
"643584"	10315.71446	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+2Na-H"	44.97116
"1145016"	3468.55226	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2Na-H"	44.97116
"187578"	3446.570318	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+2Na"	45.978436
"623489"	5158.360868	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+2Na"	45.978436
"1124808"	1734.779768	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2Na"	45.978436
"1409789"	1156.855604	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H+2Na"	46.985712
"1441538"	3470.593846	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H+HCOOH"	47.012746
"223947"	3451.60334	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+3H2O+2H"	56.04448
"1520030"	3484.64589	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+IsoProp+H"	61.06479
"418985"	3454.557288	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+Na+K"	61.952376
"775607"	5166.347838	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+Na+K"	61.952376
"1678504"	1742.766738	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Na+K"	61.952376
"265877"	6911.177968	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+ACN+Na"	64.015768
"1239680"	3487.596868	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+ACN+Na"	64.015768
"1727722"	3487.620393	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+NH4+HCOOH"	64.039293
"1193442"	1164.182918	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+3Na"	68.967654
"1661879"	3492.575788	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Na+HCOOH"	68.994688
"171287"	6924.08124	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+2K-H"	76.91904
"609384"	10347.66234	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+2K-H"	76.91904
"1095358"	3500.50014	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2K-H"	76.91904
"152174"	3462.544258	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"2M+2K"	77.926316
"593197"	5174.334808	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"3M+2K"	77.926316
"1078070"	1750.753708	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2K"	77.926316
"1111279"	3502.514692	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2K+H"	78.933592
"1347662"	3502.602307	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+DMSO+H"	79.021207
"1015100"	3506.641476	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2ACN+H"	83.060376
"1535412"	3507.635108	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+IsoProp+Na+H"	84.054008
"1002954"	1753.824376	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+2ACN+2H"	84.067652
"1598554"	3508.549728	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+K+HCOOH"	84.968628
"1429861"	3538.581238	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+H+CF3COOH"	115.000138
"1158886"	1774.337651	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+3ACN+2H"	125.094202
"1709529"	3555.607785	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+NH4+CF3COOH"	132.026685
"1647365"	3560.56318	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+Na+CF3COOH"	136.98208
"1576454"	3576.53712	"C16854"	"Maitotoxin"	"C164H256O68S22Na"	"3423.5811"	"M+K+CF3COOH"	152.95602
"816626"	411.0808	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M"	0
"989633"	392.06241	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-H2O-H"	-19.01839
"77711"	273.046590666667	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M-3H"	-3.021828
"510344"	410.073524	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M-3H"	-3.021828
"890333"	136.019657333333	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-3H"	-3.021828
"4532"	410.073524	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M-2H"	-2.014552
"446281"	615.613924	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M-2H"	-2.014552
"820800"	204.533124	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-2H"	-2.014552
"93071"	821.154324	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M-H"	-1.007276
"526923"	1232.235124	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M-H"	-1.007276
"907640"	410.073524	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-H"	-1.007276
"60921"	838.180871	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M-2H+NH4"	16.019271
"499387"	1249.261671	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M-2H+NH4"	16.019271
"874272"	427.100071	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-2H+NH4"	16.019271
"42173"	843.136266	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M-2H+Na"	20.974666
"479547"	1254.217066	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M-2H+Na"	20.974666
"851880"	432.055466	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-2H+Na"	20.974666
"1620441"	432.055466	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Na-2H"	20.974666
"96846"	428.061863	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M-H+Cl"	33.962126
"535554"	633.602263	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M-H+Cl"	33.962126
"927853"	222.521463	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-H+Cl"	33.962126
"267866"	857.131002	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+Cl"	34.969402
"660532"	1268.211802	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+Cl"	34.969402
"1273667"	446.050202	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Cl"	34.969402
"16953"	859.110206	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M-2H+K"	36.948606
"456631"	1270.191006	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M-2H+K"	36.948606
"833706"	448.029406	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-2H+K"	36.948606
"1556218"	448.029406	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+K-2H"	36.948606
"943622"	456.078994	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-H+HCOOH"	44.998194
"362195"	867.159801	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+HCOOH-H"	44.998201
"348520"	881.175451	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+Hac-H"	59.013851
"1496260"	470.094651	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Hac-H"	59.013851
"960153"	478.060951	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-H+NaCOOH"	66.980151
"112708"	446.050202	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+2Cl"	69.938804
"551659"	651.590602	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+2Cl"	69.938804
"1024346"	240.509802	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2Cl"	69.938804
"1242101"	489.999685	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Br"	78.918885
"1304793"	492.055672	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Cl+HCOOH"	80.974872
"1321317"	514.037629	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Cl+NaCOOH"	102.956829
"914204"	524.066386	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M-H+CF3COOH"	112.985586
"1289694"	560.043064	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Cl+CF3COOH"	148.962264
"1370163"	376.068124	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H-2H2O"	-35.012676
"1387658"	394.0781	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H-H2O"	-17.0027
"286253"	823.168876	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+H"	1.007276
"678313"	1234.249676	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+H"	1.007276
"1352841"	412.088076	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H"	1.007276
"128279"	412.088076	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+2H"	2.014552
"570760"	617.628476	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+2H"	2.014552
"1038829"	206.547676	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2H"	2.014552
"209646"	275.061142666667	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+3H"	3.021828
"644834"	412.088076	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+3H"	3.021828
"1163445"	138.034209333333	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+3H"	3.021828
"425142"	840.195423	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+NH4"	18.033823
"788326"	1251.276223	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+NH4"	18.033823
"1682833"	429.114623	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+NH4"	18.033823
"333302"	420.6013495	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+H+NH4"	19.041099
"725355"	626.1417495	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+H+NH4"	19.041099
"1479174"	215.0609495	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H+NH4"	19.041099
"392904"	845.150818	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+Na"	22.989218
"754633"	1256.231618	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+Na"	22.989218
"1603544"	434.070018	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Na"	22.989218
"315646"	423.079047	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+H+Na"	23.996494
"707822"	628.619447	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+H+Na"	23.996494
"1469795"	217.538647	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H+Na"	23.996494
"1058670"	145.361523333333	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2H+Na"	25.00377
"1264722"	444.114286	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+CH3OH+H"	33.033486
"378921"	861.124758	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+K"	38.963158
"741010"	1272.205558	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+K"	38.963158
"1543064"	450.043958	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+K"	38.963158
"299873"	431.066017	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+H+K"	39.970434
"692663"	636.606417	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+H+K"	39.970434
"1448303"	225.525617	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H+K"	39.970434
"239465"	864.195426	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+ACN+H"	42.033826
"1225193"	453.114626	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+ACN+H"	42.033826
"1209680"	227.060951	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+ACN+2H"	43.041102
"203611"	867.13276	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+2Na-H"	44.97116
"642349"	1278.21356	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+2Na-H"	44.97116
"1144761"	456.05196	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2Na-H"	44.97116
"184405"	434.070018	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+2Na"	45.978436
"623599"	639.610418	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+2Na"	45.978436
"1120544"	228.529618	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2Na"	45.978436
"1408440"	152.688837333333	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H+2Na"	46.985712
"1439461"	458.093546	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H+HCOOH"	47.012746
"225879"	439.10304	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+3H2O+2H"	56.04448
"1519776"	472.14559	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+IsoProp+H"	61.06479
"416909"	442.056988	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+Na+K"	61.952376
"781185"	647.597388	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+Na+K"	61.952376
"1678614"	236.516588	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Na+K"	61.952376
"265135"	886.177368	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+ACN+Na"	64.015768
"1239303"	475.096568	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+ACN+Na"	64.015768
"1727466"	475.120093	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+NH4+HCOOH"	64.039293
"1193186"	160.016151333333	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+3Na"	68.967654
"1661989"	480.075488	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Na+HCOOH"	68.994688
"169210"	899.08064	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+2K-H"	76.91904
"609493"	1310.16144	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+2K-H"	76.91904
"1093282"	487.99984	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2K-H"	76.91904
"149733"	450.043958	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"2M+2K"	77.926316
"592578"	655.584358	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"3M+2K"	77.926316
"1078180"	244.503558	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2K"	77.926316
"1110295"	490.014392	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2K+H"	78.933592
"1345586"	490.102007	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+DMSO+H"	79.021207
"1015210"	494.141176	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2ACN+H"	83.060376
"1533336"	495.134808	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+IsoProp+Na+H"	84.054008
"1001971"	247.574226	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+2ACN+2H"	84.067652
"1599393"	496.049428	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+K+HCOOH"	84.968628
"1429561"	526.080938	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+H+CF3COOH"	115.000138
"1160088"	268.087501	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+3ACN+2H"	125.094202
"1709639"	543.107485	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+NH4+CF3COOH"	132.026685
"1644195"	548.06288	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+Na+CF3COOH"	136.98208
"1576564"	564.03682	"C16855"	"Gonyautoxin 1"	"C10H17N7O9S"	"411.0808"	"M+K+CF3COOH"	152.95602
"817045"	395.0859	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M"	0
"989833"	376.06751	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-H2O-H"	-19.01839
"77456"	262.383324	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M-3H"	-3.021828
"509361"	394.078624	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M-3H"	-3.021828
"891536"	130.688024	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-3H"	-3.021828
"9016"	394.078624	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M-2H"	-2.014552
"448577"	591.621574	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M-2H"	-2.014552
"823097"	196.535674	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-2H"	-2.014552
"91840"	789.164524	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M-H"	-1.007276
"530675"	1184.250424	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M-H"	-1.007276
"907020"	394.078624	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-H"	-1.007276
"61031"	806.191071	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M-2H+NH4"	16.019271
"500591"	1201.276971	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M-2H+NH4"	16.019271
"875111"	411.105171	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-2H+NH4"	16.019271
"36816"	811.146466	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M-2H+Na"	20.974666
"477470"	1206.232366	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M-2H+Na"	20.974666
"851990"	416.060566	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-2H+Na"	20.974666
"1619577"	416.060566	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Na-2H"	20.974666
"94808"	412.066963	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M-H+Cl"	33.962126
"534438"	609.609913	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M-H+Cl"	33.962126
"927271"	214.524013	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-H+Cl"	33.962126
"267245"	825.141202	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+Cl"	34.969402
"660398"	1220.227102	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+Cl"	34.969402
"1274141"	430.055302	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Cl"	34.969402
"18156"	827.120406	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M-2H+K"	36.948606
"456987"	1222.206306	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M-2H+K"	36.948606
"834425"	432.034506	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-2H+K"	36.948606
"1556822"	432.034506	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+K-2H"	36.948606
"942921"	440.084094	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-H+HCOOH"	44.998194
"361822"	835.170001	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+HCOOH-H"	44.998201
"351184"	849.185651	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+Hac-H"	59.013851
"1494183"	454.099751	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Hac-H"	59.013851
"958667"	462.066051	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-H+NaCOOH"	66.980151
"112087"	430.055302	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+2Cl"	69.938804
"552741"	627.598252	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+2Cl"	69.938804
"1024820"	232.512352	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2Cl"	69.938804
"1244404"	474.004785	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Br"	78.918885
"1306489"	476.060772	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Cl+HCOOH"	80.974872
"1320703"	498.042729	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Cl+NaCOOH"	102.956829
"912490"	508.071486	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M-H+CF3COOH"	112.985586
"1290290"	544.048164	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Cl+CF3COOH"	148.962264
"1369179"	360.073224	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H-2H2O"	-35.012676
"1384128"	378.0832	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H-H2O"	-17.0027
"286727"	791.179076	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+H"	1.007276
"679151"	1186.264976	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+H"	1.007276
"1353316"	396.093176	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H"	1.007276
"127661"	396.093176	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+2H"	2.014552
"567590"	593.636126	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+2H"	2.014552
"1039671"	198.550226	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2H"	2.014552
"207570"	264.397876	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+3H"	3.021828
"645674"	396.093176	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+3H"	3.021828
"1165259"	132.702576	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+3H"	3.021828
"427438"	808.205623	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+NH4"	18.033823
"789530"	1203.291523	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+NH4"	18.033823
"1682941"	413.119723	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+NH4"	18.033823
"335232"	404.6064495	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+H+NH4"	19.041099
"726558"	602.1493995	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+H+NH4"	19.041099
"1480377"	207.0634995	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H+NH4"	19.041099
"393585"	813.161018	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+Na"	22.989218
"754825"	1208.246918	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+Na"	22.989218
"1604142"	418.075118	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Na"	22.989218
"315635"	407.084147	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+H+Na"	23.996494
"708784"	604.627097	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+H+Na"	23.996494
"1467718"	209.541197	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H+Na"	23.996494
"1064245"	140.02989	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2H+Na"	25.00377
"1267018"	428.119386	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+CH3OH+H"	33.033486
"383405"	829.134958	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+K"	38.963158
"742574"	1224.220858	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+K"	38.963158
"1544266"	434.049058	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+K"	38.963158
"302534"	415.071117	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+H+K"	39.970434
"695322"	612.614067	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+H+K"	39.970434
"1448777"	217.528167	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H+K"	39.970434
"239575"	832.205626	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+ACN+H"	42.033826
"1225505"	437.119726	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+ACN+H"	42.033826
"1209182"	219.063501	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+ACN+2H"	43.041102
"204219"	835.14296	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+2Na-H"	44.97116
"644042"	1230.22886	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+2Na-H"	44.97116
"1145236"	440.05706	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2Na-H"	44.97116
"187067"	418.075118	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+2Na"	45.978436
"627356"	615.618068	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+2Na"	45.978436
"1126123"	220.532168	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2Na"	45.978436
"1404178"	147.357204	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H+2Na"	46.985712
"1434105"	442.098646	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H+HCOOH"	47.012746
"224896"	423.10814	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+3H2O+2H"	56.04448
"1518428"	456.15069	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+IsoProp+H"	61.06479
"414833"	426.062088	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+Na+K"	61.952376
"778745"	623.605038	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+Na+K"	61.952376
"1679817"	228.519138	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Na+K"	61.952376
"266989"	854.187568	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+ACN+Na"	64.015768
"1240877"	459.101668	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+ACN+Na"	64.015768
"1727211"	459.125193	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+NH4+HCOOH"	64.039293
"1191837"	154.684518	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+3Na"	68.967654
"1664646"	464.080588	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Na+HCOOH"	68.994688
"171870"	867.09084	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+2K-H"	76.91904
"605964"	1262.17674	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+2K-H"	76.91904
"1096310"	472.00494	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2K-H"	76.91904
"152760"	434.049058	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"2M+2K"	77.926316
"591595"	631.592008	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"3M+2K"	77.926316
"1079749"	236.506108	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2K"	77.926316
"1109315"	474.019492	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2K+H"	78.933592
"1347520"	474.107107	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+DMSO+H"	79.021207
"1018966"	478.146276	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2ACN+H"	83.060376
"1535632"	479.139908	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+IsoProp+Na+H"	84.054008
"998804"	239.576776	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+2ACN+2H"	84.067652
"1598774"	480.054528	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+K+HCOOH"	84.968628
"1429632"	510.086038	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+H+CF3COOH"	115.000138
"1161292"	260.090051	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+3ACN+2H"	125.094202
"1710842"	527.112585	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+NH4+CF3COOH"	132.026685
"1648677"	532.06798	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+Na+CF3COOH"	136.98208
"1576674"	548.04192	"C16856"	"Gonyautoxin 2"	"C10H17N7O8S"	"395.0859"	"M+K+CF3COOH"	152.95602
"815551"	894.4766	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M"	0
"986043"	875.45821	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-H2O-H"	-19.01839
"75379"	595.310457333333	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M-3H"	-3.021828
"509471"	893.469324	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M-3H"	-3.021828
"890554"	297.151590666667	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-3H"	-3.021828
"5847"	893.469324	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M-2H"	-2.014552
"441032"	1340.707624	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M-2H"	-2.014552
"821020"	446.231024	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-2H"	-2.014552
"79922"	1787.945924	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M-H"	-1.007276
"528234"	2682.422524	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M-H"	-1.007276
"906038"	893.469324	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-H"	-1.007276
"60412"	1804.972471	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M-2H+NH4"	16.019271
"496693"	2699.449071	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M-2H+NH4"	16.019271
"873035"	910.495871	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-2H+NH4"	16.019271
"36926"	1809.927866	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M-2H+Na"	20.974666
"477580"	2704.404466	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M-2H+Na"	20.974666
"852100"	915.451266	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-2H+Na"	20.974666
"1619120"	915.451266	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Na-2H"	20.974666
"97064"	911.457663	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M-H+Cl"	33.962126
"534285"	1358.695963	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M-H+Cl"	33.962126
"928317"	464.219363	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-H+Cl"	33.962126
"267131"	1823.922602	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+Cl"	34.969402
"660098"	2718.399202	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+Cl"	34.969402
"1275345"	929.446002	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Cl"	34.969402
"16564"	1825.901806	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M-2H+K"	36.948606
"455764"	2720.378406	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M-2H+K"	36.948606
"832850"	931.425206	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-2H+K"	36.948606
"1558026"	931.425206	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+K-2H"	36.948606
"942786"	939.474794	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-H+HCOOH"	44.998194
"361420"	1833.951401	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+HCOOH-H"	44.998201
"353482"	1847.967051	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+Hac-H"	59.013851
"1499033"	953.490451	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Hac-H"	59.013851
"960377"	961.456751	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-H+NaCOOH"	66.980151
"111103"	929.446002	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+2Cl"	69.938804
"553944"	1376.684302	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+2Cl"	69.938804
"1026026"	482.207702	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2Cl"	69.938804
"1242690"	973.395485	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Br"	78.918885
"1305015"	975.451472	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Cl+HCOOH"	80.974872
"1320687"	997.433429	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Cl+NaCOOH"	102.956829
"912600"	1007.462186	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M-H+CF3COOH"	112.985586
"1289549"	1043.438864	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Cl+CF3COOH"	148.962264
"1369653"	859.463924	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H-2H2O"	-35.012676
"1385690"	877.4739	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H-H2O"	-17.0027
"287565"	1789.960476	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+H"	1.007276
"677802"	2684.437076	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+H"	1.007276
"1352332"	895.483876	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H"	1.007276
"127041"	895.483876	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+2H"	2.014552
"566968"	1342.722176	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+2H"	2.014552
"1037958"	448.245576	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2H"	2.014552
"205494"	597.325009333333	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+3H"	3.021828
"644563"	895.483876	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+3H"	3.021828
"1163177"	299.166142666667	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+3H"	3.021828
"426455"	1806.987023	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+NH4"	18.033823
"790733"	2701.463623	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+NH4"	18.033823
"1683781"	912.510423	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+NH4"	18.033823
"335341"	903.9971495	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+H+NH4"	19.041099
"727761"	1351.2354495	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+H+NH4"	19.041099
"1477240"	456.7588495	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H+NH4"	19.041099
"393004"	1811.942418	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+Na"	22.989218
"754336"	2706.419018	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+Na"	22.989218
"1603643"	917.465818	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Na"	22.989218
"315258"	906.474847	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+H+Na"	23.996494
"708041"	1353.713147	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+H+Na"	23.996494
"1468919"	459.236547	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H+Na"	23.996494
"1059975"	306.493456666667	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2H+Na"	25.00377
"1259466"	927.510086	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+CH3OH+H"	33.033486
"381688"	1827.916358	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+K"	38.963158
"741954"	2722.392958	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+K"	38.963158
"1542186"	933.439758	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+K"	38.963158
"300458"	914.461817	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+H+K"	39.970434
"692882"	1361.700117	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+H+K"	39.970434
"1448887"	467.223517	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H+K"	39.970434
"240778"	1830.987026	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+ACN+H"	42.033826
"1225325"	936.510426	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+ACN+H"	42.033826
"1209659"	468.758851	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+ACN+2H"	43.041102
"201915"	1833.92436	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+2Na-H"	44.97116
"641840"	2728.40096	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+2Na-H"	44.97116
"1144981"	939.44776	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2Na-H"	44.97116
"183166"	917.465818	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+2Na"	45.978436
"623819"	1364.704118	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+2Na"	45.978436
"1121859"	470.227518	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2Na"	45.978436
"1404287"	313.820770666667	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H+2Na"	46.985712
"1433119"	941.489346	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H+HCOOH"	47.012746
"225006"	922.49884	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+3H2O+2H"	56.04448
"1516351"	955.54139	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+IsoProp+H"	61.06479
"412756"	925.452788	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+Na+K"	61.952376
"777032"	1372.691088	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+Na+K"	61.952376
"1678834"	478.214488	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Na+K"	61.952376
"266450"	1852.968968	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+ACN+Na"	64.015768
"1241302"	958.492368	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+ACN+Na"	64.015768
"1726591"	958.515893	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+NH4+HCOOH"	64.039293
"1191580"	321.148084666667	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+3Na"	68.967654
"1663296"	963.471288	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Na+HCOOH"	68.994688
"169424"	1865.87224	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+2K-H"	76.91904
"607167"	2760.34884	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+2K-H"	76.91904
"1095327"	971.39564	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2K-H"	76.91904
"151050"	933.439758	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"2M+2K"	77.926316
"589519"	1380.678058	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"3M+2K"	77.926316
"1078406"	486.201458	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2K"	77.926316
"1108333"	973.410192	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2K+H"	78.933592
"1345812"	973.497807	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+DMSO+H"	79.021207
"1016891"	977.536976	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2ACN+H"	83.060376
"1535383"	978.530608	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+IsoProp+Na+H"	84.054008
"1000009"	489.272126	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+2ACN+2H"	84.067652
"1599980"	979.445228	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+K+HCOOH"	84.968628
"1429409"	1009.476738	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+H+CF3COOH"	115.000138
"1162131"	509.785401	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+3ACN+2H"	125.094202
"1712047"	1026.503285	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+NH4+CF3COOH"	132.026685
"1648788"	1031.45868	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+Na+CF3COOH"	136.98208
"1580063"	1047.43262	"C16857"	"Brevetoxin B"	"C50H70O14"	"894.4766"	"M+K+CF3COOH"	152.95602
"816266"	288.2453	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M"	0
"987246"	269.22691	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"75489"	191.156257333333	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"509581"	287.238024	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"890664"	95.0744906666666	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"5957"	287.238024	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"442236"	431.360674	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"822225"	143.115374	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"81125"	575.483324	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"530166"	863.728624	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"907241"	287.238024	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"59428"	592.509871	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"500082"	880.755171	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"873145"	304.264571	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"38129"	597.465266	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"477690"	885.710566	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"852210"	309.219966	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1620648"	309.219966	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"97174"	305.226363	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"534624"	449.349013	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"928791"	161.103713	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"267500"	611.460002	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"660291"	899.705302	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1273997"	323.214702	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"18376"	613.439206	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"457572"	901.684506	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"832892"	325.193906	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1560322"	325.193906	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"944924"	333.243494	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"361717"	621.488801	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"347393"	635.504451	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1494038"	347.259151	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"959020"	355.225451	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"115222"	323.214702	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"555513"	467.337352	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1028686"	179.092052	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1242800"	367.164185	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1306341"	369.220172	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1320434"	391.202129	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"912949"	401.230886	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1289777"	437.207564	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1368305"	253.232624	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1385800"	271.2426	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"286582"	577.497876	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"679004"	865.743176	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1353535"	289.252576	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H"	1.007276
"127152"	289.252576	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"568537"	433.375226	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1039890"	145.129926	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"209977"	193.170809333333	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"645896"	289.252576	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1163532"	97.0890426666667	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"427293"	594.524423	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"791936"	882.769723	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1684619"	306.279123	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"332167"	297.7658495	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"723532"	441.8884995	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1478038"	153.6431995	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"395993"	599.479818	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"754596"	887.725118	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1603632"	311.234518	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"315127"	300.243547	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"707827"	444.366197	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1462092"	156.120897	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1054252"	104.416356666667	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1258846"	321.278786	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"380702"	615.453758	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"741702"	903.699058	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1543389"	327.208458	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+K"	38.963158
"301296"	308.230517	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"692015"	452.353167	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1446444"	164.107867	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"239794"	618.524426	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1224668"	330.279126	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1208554"	165.643201	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"202877"	621.46176	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"641951"	909.70706	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1145334"	333.21646	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"179996"	311.234518	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"621742"	455.357168	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1125249"	167.111868	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1403304"	111.743670666667	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1432500"	335.258046	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"226209"	316.26754	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1517554"	349.31009	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"413959"	319.221488	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"778235"	463.344138	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1672376"	175.098838	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"255978"	640.506368	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1240369"	352.261068	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1726338"	352.284593	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1190233"	119.070984666667	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1659759"	357.239988	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"165527"	653.40964	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"603993"	941.65494	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1094709"	365.16434	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"148609"	327.208458	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"589629"	471.331108	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1078515"	183.085808	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1109172"	367.178892	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1346651"	367.266507	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1018823"	371.305676	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1533671"	372.299308	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"1003767"	186.156476	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1600820"	373.213928	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1429033"	403.245438	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1162566"	206.669751	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1712481"	420.271985	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1648898"	425.22738	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1580173"	441.20132	"C16858"	"Pachydictyol A"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"815772"	464.2046	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M"	0
"987356"	445.18621	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-H2O-H"	-19.01839
"73412"	308.462457333333	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M-3H"	-3.021828
"510784"	463.197324	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M-3H"	-3.021828
"890774"	153.727590666667	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-3H"	-3.021828
"7160"	463.197324	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M-2H"	-2.014552
"441250"	695.299624	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M-2H"	-2.014552
"823428"	231.095024	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-2H"	-2.014552
"83421"	927.401924	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M-H"	-1.007276
"530640"	1391.606524	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M-H"	-1.007276
"906256"	463.197324	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-H"	-1.007276
"60631"	944.428471	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M-2H+NH4"	16.019271
"500192"	1408.633071	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M-2H+NH4"	16.019271
"872525"	480.223871	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-2H+NH4"	16.019271
"37146"	949.383866	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M-2H+Na"	20.974666
"474884"	1413.588466	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M-2H+Na"	20.974666
"852320"	485.179266	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-2H+Na"	20.974666
"1620758"	485.179266	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Na-2H"	20.974666
"95341"	481.185663	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M-H+Cl"	33.962126
"534773"	713.287963	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M-H+Cl"	33.962126
"930360"	249.083363	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-H+Cl"	33.962126
"268672"	963.378602	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+Cl"	34.969402
"660395"	1427.583202	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+Cl"	34.969402
"1274228"	499.174002	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Cl"	34.969402
"21767"	965.357806	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M-2H+K"	36.948606
"457438"	1429.562406	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M-2H+K"	36.948606
"833780"	501.153206	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-2H+K"	36.948606
"1558974"	501.153206	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+K-2H"	36.948606
"947950"	509.202794	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-H+HCOOH"	44.998194
"361487"	973.407401	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+HCOOH-H"	44.998201
"350422"	987.423051	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+Hac-H"	59.013851
"1495973"	523.218451	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Hac-H"	59.013851
"962415"	531.184751	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-H+NaCOOH"	66.980151
"115699"	499.174002	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+2Cl"	69.938804
"555261"	731.276302	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+2Cl"	69.938804
"1025517"	267.071702	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2Cl"	69.938804
"1242544"	543.123485	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Br"	78.918885
"1305721"	545.179472	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Cl+HCOOH"	80.974872
"1321032"	567.161429	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Cl+NaCOOH"	102.956829
"912209"	577.190186	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M-H+CF3COOH"	112.985586
"1289525"	613.166864	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Cl+CF3COOH"	148.962264
"1369509"	429.191924	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H-2H2O"	-35.012676
"1384818"	447.2019	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H-H2O"	-17.0027
"284871"	929.416476	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+H"	1.007276
"678023"	1393.621076	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+H"	1.007276
"1352915"	465.211876	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H"	1.007276
"127265"	465.211876	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+2H"	2.014552
"567918"	697.314176	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+2H"	2.014552
"1039271"	233.109576	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2H"	2.014552
"211180"	310.477009333333	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+3H"	3.021828
"646735"	465.211876	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+3H"	3.021828
"1163278"	155.742142666667	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+3H"	3.021828
"427039"	946.443023	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+NH4"	18.033823
"792046"	1410.647623	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+NH4"	18.033823
"1683636"	482.238423	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+NH4"	18.033823
"330453"	473.7251495	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+H+NH4"	19.041099
"723357"	705.8274495	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+H+NH4"	19.041099
"1477666"	241.6228495	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H+NH4"	19.041099
"393916"	951.398418	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+Na"	22.989218
"755156"	1415.603018	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+Na"	22.989218
"1603862"	487.193818	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Na"	22.989218
"315236"	476.202847	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+H+Na"	23.996494
"709234"	708.305147	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+H+Na"	23.996494
"1461717"	244.100547	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H+Na"	23.996494
"1054362"	163.069456666667	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2H+Na"	25.00377
"1259686"	497.238086	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+CH3OH+H"	33.033486
"380085"	967.372358	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+K"	38.963158
"742542"	1431.576958	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+K"	38.963158
"1541677"	503.167758	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+K"	38.963158
"300679"	484.189817	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+H+K"	39.970434
"693463"	716.292117	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+H+K"	39.970434
"1446920"	252.087517	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H+K"	39.970434
"240997"	970.443026	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+ACN+H"	42.033826
"1224899"	506.238426	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+ACN+H"	42.033826
"1209270"	253.622851	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+ACN+2H"	43.041102
"202743"	973.38036	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+2Na-H"	44.97116
"643155"	1437.58496	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+2Na-H"	44.97116
"1146173"	509.17576	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2Na-H"	44.97116
"180106"	487.193818	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+2Na"	45.978436
"624039"	719.296118	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+2Na"	45.978436
"1124266"	255.091518	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2Na"	45.978436
"1403414"	170.396770666667	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H+2Na"	46.985712
"1432611"	511.217346	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H+HCOOH"	47.012746
"226319"	492.22684	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+3H2O+2H"	56.04448
"1518757"	525.26939	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+IsoProp+H"	61.06479
"417348"	495.180788	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+Na+K"	61.952376
"777252"	727.283088	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+Na+K"	61.952376
"1671393"	263.078488	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Na+K"	61.952376
"256817"	992.424968	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+ACN+Na"	64.015768
"1240113"	528.220368	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+ACN+Na"	64.015768
"1726083"	528.243893	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+NH4+HCOOH"	64.039293
"1189613"	177.724084666667	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+3Na"	68.967654
"1660963"	533.199288	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Na+HCOOH"	68.994688
"167824"	1005.32824	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+2K-H"	76.91904
"603374"	1469.53284	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+2K-H"	76.91904
"1092997"	541.12364	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2K-H"	76.91904
"150542"	503.167758	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"2M+2K"	77.926316
"588645"	735.270058	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"3M+2K"	77.926316
"1077531"	271.065458	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2K"	77.926316
"1108553"	543.138192	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2K+H"	78.933592
"1346032"	543.225807	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+DMSO+H"	79.021207
"1015289"	547.264976	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2ACN+H"	83.060376
"1533413"	548.258608	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+IsoProp+Na+H"	84.054008
"1000229"	274.136126	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+2ACN+2H"	84.067652
"1598014"	549.173228	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+K+HCOOH"	84.968628
"1429142"	579.204738	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+H+CF3COOH"	115.000138
"1162231"	294.649401	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+3ACN+2H"	125.094202
"1711901"	596.231285	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+NH4+CF3COOH"	132.026685
"1649737"	601.18668	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+Na+CF3COOH"	136.98208
"1580283"	617.16062	"C16859"	"Renillafoulin A"	"C24H32O9"	"464.2046"	"M+K+CF3COOH"	152.95602
"816957"	421.8629	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M"	0
"989289"	402.84451	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-H2O-H"	-19.01839
"73522"	280.234657333333	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M-3H"	-3.021828
"510894"	420.855624	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M-3H"	-3.021828
"891977"	139.613690666667	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-3H"	-3.021828
"6177"	420.855624	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M-2H"	-2.014552
"443549"	631.787074	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M-2H"	-2.014552
"822445"	209.924174	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-2H"	-2.014552
"82438"	842.718524	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M-H"	-1.007276
"533425"	1264.581424	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M-H"	-1.007276
"905271"	420.855624	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-H"	-1.007276
"62593"	859.745071	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M-2H+NH4"	16.019271
"501884"	1281.607971	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M-2H+NH4"	16.019271
"876644"	437.882171	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-2H+NH4"	16.019271
"38349"	864.700466	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M-2H+Na"	20.974666
"477910"	1286.563366	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M-2H+Na"	20.974666
"858990"	442.837566	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-2H+Na"	20.974666
"1621961"	442.837566	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Na-2H"	20.974666
"97395"	438.843963	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M-H+Cl"	33.962126
"535861"	649.775413	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M-H+Cl"	33.962126
"931564"	227.912513	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-H+Cl"	33.962126
"269026"	878.695202	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+Cl"	34.969402
"661566"	1300.558102	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+Cl"	34.969402
"1278590"	456.832302	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Cl"	34.969402
"20054"	880.674406	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M-2H+K"	36.948606
"459251"	1302.537306	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M-2H+K"	36.948606
"835958"	458.811506	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-2H+K"	36.948606
"1558356"	458.811506	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+K-2H"	36.948606
"946240"	466.861094	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-H+HCOOH"	44.998194
"362626"	888.724001	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+HCOOH-H"	44.998201
"350532"	902.739651	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+Hac-H"	59.013851
"1496083"	480.876751	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Hac-H"	59.013851
"959612"	488.843051	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-H+NaCOOH"	66.980151
"115809"	456.832302	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+2Cl"	69.938804
"557557"	667.763752	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+2Cl"	69.938804
"1027451"	245.900852	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2Cl"	69.938804
"1242654"	500.781785	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Br"	78.918885
"1307654"	502.837772	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Cl+HCOOH"	80.974872
"1320050"	524.819729	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Cl+NaCOOH"	102.956829
"912564"	534.848486	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M-H+CF3COOH"	112.985586
"1288664"	570.825164	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Cl+CF3COOH"	148.962264
"1367797"	386.850224	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H-2H2O"	-35.012676
"1385292"	404.8602	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H-H2O"	-17.0027
"284979"	844.733076	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+H"	1.007276
"677768"	1266.595976	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+H"	1.007276
"1354485"	422.870176	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H"	1.007276
"132842"	422.870176	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+2H"	2.014552
"569121"	633.801626	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+2H"	2.014552
"1037923"	211.938726	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2H"	2.014552
"211290"	282.249209333333	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+3H"	3.021828
"645384"	422.870176	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+3H"	3.021828
"1163023"	141.628242666667	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+3H"	3.021828
"424592"	861.759623	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+NH4"	18.033823
"785760"	1283.622523	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+NH4"	18.033823
"1682652"	439.896723	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+NH4"	18.033823
"330109"	431.3834495	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+H+NH4"	19.041099
"722975"	642.3148995	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+H+NH4"	19.041099
"1477180"	220.4519995	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H+NH4"	19.041099
"395118"	866.715018	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+Na"	22.989218
"755263"	1288.577918	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+Na"	22.989218
"1602913"	444.852118	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Na"	22.989218
"314619"	433.861147	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+H+Na"	23.996494
"708374"	644.792597	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+H+Na"	23.996494
"1462682"	222.929697	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H+Na"	23.996494
"1057388"	148.955556666667	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2H+Na"	25.00377
"1260525"	454.896386	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+CH3OH+H"	33.033486
"378615"	882.688958	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+K"	38.963158
"740822"	1304.551858	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+K"	38.963158
"1541420"	460.826058	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+K"	38.963158
"300789"	441.848117	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+H+K"	39.970434
"692116"	652.779567	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+H+K"	39.970434
"1447395"	230.916667	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H+K"	39.970434
"244386"	885.759626	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+ACN+H"	42.033826
"1216004"	463.896726	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+ACN+H"	42.033826
"1209506"	232.452001	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+ACN+2H"	43.041102
"204269"	888.69696	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+2Na-H"	44.97116
"644056"	1310.55986	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+2Na-H"	44.97116
"1147027"	466.83406	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2Na-H"	44.97116
"186775"	444.852118	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+2Na"	45.978436
"620868"	655.783568	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+2Na"	45.978436
"1127656"	233.920668	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2Na"	45.978436
"1402430"	156.282870666667	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H+2Na"	46.985712
"1433814"	468.875646	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H+HCOOH"	47.012746
"229710"	449.88514	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+3H2O+2H"	56.04448
"1519961"	482.92769	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+IsoProp+H"	61.06479
"419646"	452.839088	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+Na+K"	61.952376
"781734"	663.770538	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+Na+K"	61.952376
"1672596"	241.907638	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Na+K"	61.952376
"256927"	907.741568	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+ACN+Na"	64.015768
"1239121"	485.878668	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+ACN+Na"	64.015768
"1726558"	485.902193	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+NH4+HCOOH"	64.039293
"1190815"	163.610184666667	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+3Na"	68.967654
"1660708"	490.857588	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Na+HCOOH"	68.994688
"166107"	920.64484	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+2K-H"	76.91904
"603485"	1342.50774	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+2K-H"	76.91904
"1094201"	498.78194	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2K-H"	76.91904
"151746"	460.826058	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"2M+2K"	77.926316
"592036"	671.757508	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"3M+2K"	77.926316
"1076548"	249.894608	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2K"	77.926316
"1108662"	500.796492	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2K+H"	78.933592
"1345414"	500.884107	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+DMSO+H"	79.021207
"1016856"	504.923276	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2ACN+H"	83.060376
"1534980"	505.916908	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+IsoProp+Na+H"	84.054008
"1000338"	252.965276	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+2ACN+2H"	84.067652
"1599217"	506.831528	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+K+HCOOH"	84.968628
"1427065"	536.863038	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+H+CF3COOH"	115.000138
"1162097"	273.478551	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+3ACN+2H"	125.094202
"1709825"	553.889585	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+NH4+CF3COOH"	132.026685
"1649118"	558.84498	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+Na+CF3COOH"	136.98208
"1580393"	574.81892	"C16860"	"256-Tribromo-1-methylgramine"	"C12H13Br3N2"	"421.8629"	"M+K+CF3COOH"	152.95602
"816233"	594.3404	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M"	0
"987576"	575.32201	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-H2O-H"	-19.01839
"72539"	395.219657333333	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M-3H"	-3.021828
"511004"	593.333124	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M-3H"	-3.021828
"892087"	197.106190666667	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-3H"	-3.021828
"6287"	593.333124	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M-2H"	-2.014552
"444753"	890.503324	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M-2H"	-2.014552
"825835"	296.162924	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-2H"	-2.014552
"83641"	1187.673524	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M-H"	-1.007276
"527580"	1782.013924	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M-H"	-1.007276
"905381"	593.333124	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-H"	-1.007276
"57571"	1204.700071	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M-2H+NH4"	16.019271
"500412"	1799.040471	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M-2H+NH4"	16.019271
"872745"	610.359671	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-2H+NH4"	16.019271
"40646"	1209.655466	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M-2H+Na"	20.974666
"475833"	1803.995866	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M-2H+Na"	20.974666
"855820"	615.315066	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-2H+Na"	20.974666
"1623165"	615.315066	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Na-2H"	20.974666
"98599"	611.321463	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M-H+Cl"	33.962126
"537065"	908.491663	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M-H+Cl"	33.962126
"936048"	314.151263	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-H+Cl"	33.962126
"269501"	1223.650202	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+Cl"	34.969402
"665933"	1817.990602	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+Cl"	34.969402
"1280524"	629.309802	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Cl"	34.969402
"20895"	1225.629406	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M-2H+K"	36.948606
"458269"	1819.969806	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M-2H+K"	36.948606
"838256"	631.289006	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-2H+K"	36.948606
"1560654"	631.289006	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+K-2H"	36.948606
"946350"	639.338594	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-H+HCOOH"	44.998194
"362132"	1233.679001	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+HCOOH-H"	44.998201
"350642"	1247.694651	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+Hac-H"	59.013851
"1495100"	653.354251	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Hac-H"	59.013851
"960815"	661.320551	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-H+NaCOOH"	66.980151
"117013"	629.309802	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+2Cl"	69.938804
"559855"	926.480002	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+2Cl"	69.938804
"1028655"	332.139602	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2Cl"	69.938804
"1241713"	673.259285	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Br"	78.918885
"1308494"	675.315272	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Cl+HCOOH"	80.974872
"1321618"	697.297229	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Cl+NaCOOH"	102.956829
"912309"	707.325986	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M-H+CF3COOH"	112.985586
"1288897"	743.302664	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Cl+CF3COOH"	148.962264
"1368273"	559.327724	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H-2H2O"	-35.012676
"1385768"	577.3377	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H-H2O"	-17.0027
"283634"	1189.688076	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+H"	1.007276
"679338"	1784.028476	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+H"	1.007276
"1352408"	595.347676	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H"	1.007276
"132952"	595.347676	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+2H"	2.014552
"571418"	892.517876	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+2H"	2.014552
"1041314"	298.177476	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2H"	2.014552
"208119"	397.234209333333	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+3H"	3.021828
"646587"	595.347676	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+3H"	3.021828
"1163985"	199.120742666667	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+3H"	3.021828
"424621"	1206.714623	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+NH4"	18.033823
"785674"	1801.055023	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+NH4"	18.033823
"1681304"	612.374223	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+NH4"	18.033823
"330141"	603.8609495	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+H+NH4"	19.041099
"724915"	901.0311495	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+H+NH4"	19.041099
"1477433"	306.6907495	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H+NH4"	19.041099
"394256"	1211.670018	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+Na"	22.989218
"754399"	1806.010418	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+Na"	22.989218
"1602943"	617.329618	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Na"	22.989218
"314556"	606.338647	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+H+Na"	23.996494
"708360"	903.508847	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+H+Na"	23.996494
"1463880"	309.168447	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H+Na"	23.996494
"1054582"	206.448056666667	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2H+Na"	25.00377
"1258447"	627.373886	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+CH3OH+H"	33.033486
"377263"	1227.643958	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+K"	38.963158
"739474"	1821.984358	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+K"	38.963158
"1540797"	633.303558	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+K"	38.963158
"299076"	614.325617	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+H+K"	39.970434
"694414"	911.495817	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+H+K"	39.970434
"1445759"	317.155417	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H+K"	39.970434
"242310"	1230.714626	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+ACN+H"	42.033826
"1218300"	636.374226	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+ACN+H"	42.033826
"1202183"	318.690751	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+ACN+2H"	43.041102
"203697"	1233.65196	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+2Na-H"	44.97116
"643903"	1827.99236	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+2Na-H"	44.97116
"1146401"	639.31156	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2Na-H"	44.97116
"186643"	617.329618	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+2Na"	45.978436
"620978"	914.499818	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+2Na"	45.978436
"1121204"	320.159418	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2Na"	45.978436
"1401446"	213.775370666667	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H+2Na"	46.985712
"1435744"	641.353146	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H+HCOOH"	47.012746
"222165"	622.36264	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+3H2O+2H"	56.04448
"1513509"	655.40519	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+IsoProp+H"	61.06479
"419755"	625.316588	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+Na+K"	61.952376
"778563"	922.486788	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+Na+K"	61.952376
"1675988"	328.146388	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Na+K"	61.952376
"257039"	1252.696568	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+ACN+Na"	64.015768
"1227558"	658.356168	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+ACN+Na"	64.015768
"1720830"	658.379693	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+NH4+HCOOH"	64.039293
"1189463"	221.102684666667	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+3Na"	68.967654
"1657168"	663.335088	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Na+HCOOH"	68.994688
"165121"	1265.59984	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+2K-H"	76.91904
"600313"	1859.94024	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+2K-H"	76.91904
"1093578"	671.25944	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2K-H"	76.91904
"150395"	633.303558	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"2M+2K"	77.926316
"588865"	930.473758	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"3M+2K"	77.926316
"1076656"	336.133358	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2K"	77.926316
"1107679"	673.273992	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2K+H"	78.933592
"1346252"	673.361607	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+DMSO+H"	79.021207
"1018059"	677.400776	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2ACN+H"	83.060376
"1533997"	678.394408	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+IsoProp+Na+H"	84.054008
"1000447"	339.204026	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+2ACN+2H"	84.067652
"1599323"	679.309028	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+K+HCOOH"	84.968628
"1426075"	709.340538	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+H+CF3COOH"	115.000138
"1157463"	359.717301	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+3ACN+2H"	125.094202
"1710295"	726.367085	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+NH4+CF3COOH"	132.026685
"1648133"	731.32248	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+Na+CF3COOH"	136.98208
"1573942"	747.29642	"C16861"	"13-Deoxytedanolide"	"C32H50O10"	"594.3404"	"M+K+CF3COOH"	152.95602
"816222"	1109.626	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M"	0
"987686"	1090.60761	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-H2O-H"	-19.01839
"75929"	738.743390666667	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M-3H"	-3.021828
"514395"	1108.618724	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M-3H"	-3.021828
"892197"	368.868057333333	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-3H"	-3.021828
"12957"	1108.618724	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M-2H"	-2.014552
"447050"	1663.431724	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M-2H"	-2.014552
"825945"	553.805724	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-2H"	-2.014552
"83751"	2218.244724	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M-H"	-1.007276
"524410"	3327.870724	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M-H"	-1.007276
"905491"	1108.618724	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-H"	-1.007276
"57681"	2235.271271	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M-2H+NH4"	16.019271
"492138"	3344.897271	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M-2H+NH4"	16.019271
"872854"	1125.645271	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-2H+NH4"	16.019271
"37476"	2240.226666	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M-2H+Na"	20.974666
"481411"	3349.852666	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M-2H+Na"	20.974666
"855931"	1130.600666	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-2H+Na"	20.974666
"1623275"	1130.600666	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Na-2H"	20.974666
"99803"	1126.607063	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M-H+Cl"	33.962126
"540455"	1681.420063	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M-H+Cl"	33.962126
"930692"	571.794063	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-H+Cl"	33.962126
"271436"	2254.221402	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+Cl"	34.969402
"667138"	3363.847402	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+Cl"	34.969402
"1285010"	1144.595402	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Cl"	34.969402
"21005"	2256.200606	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M-2H+K"	36.948606
"459472"	3365.826606	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M-2H+K"	36.948606
"836544"	1146.574606	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-2H+K"	36.948606
"1556066"	1146.574606	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+K-2H"	36.948606
"943588"	1154.624194	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-H+HCOOH"	44.998194
"363584"	2264.250201	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+HCOOH-H"	44.998201
"350752"	2278.265851	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+Hac-H"	59.013851
"1494237"	1168.639851	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Hac-H"	59.013851
"960559"	1176.606151	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-H+NaCOOH"	66.980151
"113844"	1144.595402	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+2Cl"	69.938804
"559238"	1699.408402	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+2Cl"	69.938804
"1032045"	589.782402	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2Cl"	69.938804
"1242877"	1188.544885	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Br"	78.918885
"1308607"	1190.600872	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Cl+HCOOH"	80.974872
"1320636"	1212.582829	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Cl+NaCOOH"	102.956829
"912057"	1222.611586	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M-H+CF3COOH"	112.985586
"1288766"	1258.588264	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Cl+CF3COOH"	148.962264
"1367658"	1074.613324	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H-2H2O"	-35.012676
"1383694"	1092.6233	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H-H2O"	-17.0027
"287026"	2220.259276	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+H"	1.007276
"680542"	3329.885276	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+H"	1.007276
"1353611"	1110.633276	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H"	1.007276
"133062"	1110.633276	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+2H"	2.014552
"574808"	1665.446276	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+2H"	2.014552
"1042517"	555.820276	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2H"	2.014552
"208230"	740.757942666667	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+3H"	3.021828
"647061"	1110.633276	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+3H"	3.021828
"1166282"	370.882609333333	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+3H"	3.021828
"427003"	2237.285823	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+NH4"	18.033823
"786053"	3346.911823	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+NH4"	18.033823
"1682020"	1127.659823	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+NH4"	18.033823
"330783"	1119.1465495	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+H+NH4"	19.041099
"723202"	1673.9595495	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+H+NH4"	19.041099
"1477870"	564.3335495	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H+NH4"	19.041099
"394246"	2242.241218	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+Na"	22.989218
"754591"	3351.867218	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+Na"	22.989218
"1603703"	1132.615218	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Na"	22.989218
"314549"	1121.624247	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+H+Na"	23.996494
"708349"	1676.437247	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+H+Na"	23.996494
"1465083"	566.811247	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H+Na"	23.996494
"1055420"	378.209923333333	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2H+Na"	25.00377
"1258192"	1142.659486	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+CH3OH+H"	33.033486
"377983"	2258.215158	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+K"	38.963158
"739950"	3367.841158	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+K"	38.963158
"1540182"	1148.589158	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+K"	38.963158
"301373"	1129.611217	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+H+K"	39.970434
"695619"	1684.424217	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+H+K"	39.970434
"1449439"	574.798217	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H+K"	39.970434
"240598"	2261.285826	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+ACN+H"	42.033826
"1221693"	1151.659826	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+ACN+H"	42.033826
"1203390"	576.333551	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+ACN+2H"	43.041102
"199542"	2264.22316	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+2Na-H"	44.97116
"643927"	3373.84916	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+2Na-H"	44.97116
"1146553"	1154.59716	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2Na-H"	44.97116
"186874"	1132.615218	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+2Na"	45.978436
"621088"	1687.428218	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+2Na"	45.978436
"1122407"	577.802218	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2Na"	45.978436
"1401920"	385.537237333333	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H+2Na"	46.985712
"1434399"	1156.638746	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H+HCOOH"	47.012746
"222639"	1137.64824	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+3H2O+2H"	56.04448
"1513983"	1170.69079	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+IsoProp+H"	61.06479
"421692"	1140.602188	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+Na+K"	61.952376
"780861"	1695.415188	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+Na+K"	61.952376
"1673910"	585.789188	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Na+K"	61.952376
"262618"	2283.267768	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+ACN+Na"	64.015768
"1227671"	1173.641768	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+ACN+Na"	64.015768
"1720940"	1173.665293	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+NH4+HCOOH"	64.039293
"1187752"	392.864551333333	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+3Na"	68.967654
"1659464"	1178.620688	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Na+HCOOH"	68.994688
"167782"	2296.17104	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+2K-H"	76.91904
"600423"	3405.79704	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+2K-H"	76.91904
"1094781"	1186.54504	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2K-H"	76.91904
"149412"	1148.589158	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"2M+2K"	77.926316
"588975"	1703.402158	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"3M+2K"	77.926316
"1075672"	593.776158	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2K"	77.926316
"1107788"	1188.559592	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2K+H"	78.933592
"1348548"	1188.647207	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+DMSO+H"	79.021207
"1019262"	1192.686376	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2ACN+H"	83.060376
"1533017"	1193.680008	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+IsoProp+Na+H"	84.054008
"1000557"	596.846826	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+2ACN+2H"	84.067652
"1597247"	1194.594628	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+K+HCOOH"	84.968628
"1423999"	1224.626138	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+H+CF3COOH"	115.000138
"1153198"	617.360101	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+3ACN+2H"	125.094202
"1706030"	1241.652685	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+NH4+CF3COOH"	132.026685
"1640587"	1246.60808	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+Na+CF3COOH"	136.98208
"1574052"	1262.58202	"C16862"	"Plitidepsin;Dehydrodidemnin B;Aplidine;Didemnin A"	"C57H87N7O15"	"1109.626"	"M+K+CF3COOH"	152.95602
"816457"	805.534	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M"	0
"986703"	786.51561	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-H2O-H"	-19.01839
"74946"	536.015390666667	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M-3H"	-3.021828
"511225"	804.526724	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M-3H"	-3.021828
"890120"	267.504057333333	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-3H"	-3.021828
"13067"	804.526724	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M-2H"	-2.014552
"446066"	1207.293724	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M-2H"	-2.014552
"822775"	401.759724	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-2H"	-2.014552
"83861"	1610.060724	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M-H"	-1.007276
"524520"	2415.594724	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M-H"	-1.007276
"904508"	804.526724	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-H"	-1.007276
"57791"	1627.087271	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M-2H+NH4"	16.019271
"492612"	2432.621271	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M-2H+NH4"	16.019271
"872964"	821.553271	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-2H+NH4"	16.019271
"37586"	1632.042666	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M-2H+Na"	20.974666
"481521"	2437.576666	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M-2H+Na"	20.974666
"856041"	826.508666	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-2H+Na"	20.974666
"1621564"	826.508666	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Na-2H"	20.974666
"98820"	822.515063	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M-H+Cl"	33.962126
"539472"	1225.282063	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M-H+Cl"	33.962126
"932989"	419.748063	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-H+Cl"	33.962126
"274826"	1646.037402	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+Cl"	34.969402
"668341"	2451.571402	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+Cl"	34.969402
"1282933"	840.503402	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Cl"	34.969402
"20384"	1648.016606	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M-2H+K"	36.948606
"460675"	2453.550606	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M-2H+K"	36.948606
"834830"	842.482606	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-2H+K"	36.948606
"1555777"	842.482606	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+K-2H"	36.948606
"943652"	850.532194	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-H+HCOOH"	44.998194
"362595"	1656.066201	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+HCOOH-H"	44.998201
"348675"	1670.081851	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+Hac-H"	59.013851
"1493133"	864.547851	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Hac-H"	59.013851
"961035"	872.514151	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-H+NaCOOH"	66.980151
"112861"	840.503402	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+2Cl"	69.938804
"558982"	1243.270402	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+2Cl"	69.938804
"1032155"	437.736402	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2Cl"	69.938804
"1244081"	884.452885	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Br"	78.918885
"1308717"	886.508872	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Cl+HCOOH"	80.974872
"1322933"	908.490829	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Cl+NaCOOH"	102.956829
"912897"	918.519586	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M-H+CF3COOH"	112.985586
"1289604"	954.496264	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Cl+CF3COOH"	148.962264
"1367768"	770.521324	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H-2H2O"	-35.012676
"1385263"	788.5313	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H-H2O"	-17.0027
"290416"	1612.075276	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+H"	1.007276
"683932"	2417.609276	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+H"	1.007276
"1353721"	806.541276	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H"	1.007276
"129892"	806.541276	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+2H"	2.014552
"571638"	1209.308276	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+2H"	2.014552
"1040438"	403.774276	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2H"	2.014552
"208706"	538.029942666667	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+3H"	3.021828
"647172"	806.541276	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+3H"	3.021828
"1165299"	269.518609333333	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+3H"	3.021828
"427113"	1629.101823	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+NH4"	18.033823
"786042"	2434.635823	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+NH4"	18.033823
"1681682"	823.567823	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+NH4"	18.033823
"330648"	815.0545495	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+H+NH4"	19.041099
"725136"	1217.8215495	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+H+NH4"	19.041099
"1477251"	412.2875495	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H+NH4"	19.041099
"395450"	1634.057218	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+Na"	22.989218
"755717"	2439.591218	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+Na"	22.989218
"1604907"	828.523218	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Na"	22.989218
"315674"	817.532247	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+H+Na"	23.996494
"708945"	1220.299247	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+H+Na"	23.996494
"1465193"	414.765247	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H+Na"	23.996494
"1053345"	276.845923333333	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2H+Na"	25.00377
"1260126"	838.567486	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+CH3OH+H"	33.033486
"377851"	1650.031158	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+K"	38.963158
"739006"	2455.565158	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+K"	38.963158
"1540329"	844.497158	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+K"	38.963158
"302577"	825.519217	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+H+K"	39.970434
"695729"	1228.286217	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+H+K"	39.970434
"1448455"	422.752217	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H+K"	39.970434
"242530"	1653.101826	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+ACN+H"	42.033826
"1220710"	847.567826	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+ACN+H"	42.033826
"1201314"	424.287551	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+ACN+2H"	43.041102
"196371"	1656.03916	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+2Na-H"	44.97116
"642495"	2461.57316	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+2Na-H"	44.97116
"1146255"	850.50516	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2Na-H"	44.97116
"183825"	828.523218	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+2Na"	45.978436
"620104"	1231.290218	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+2Na"	45.978436
"1122517"	425.756218	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2Na"	45.978436
"1401301"	284.173237333333	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H+2Na"	46.985712
"1434144"	852.546746	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H+HCOOH"	47.012746
"223478"	833.55624	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+3H2O+2H"	56.04448
"1515915"	866.59879	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+IsoProp+H"	61.06479
"421802"	836.510188	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+Na+K"	61.952376
"782064"	1239.277188	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+Na+K"	61.952376
"1671833"	433.743188	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Na+K"	61.952376
"262728"	1675.083768	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+ACN+Na"	64.015768
"1228873"	869.549768	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+ACN+Na"	64.015768
"1721050"	869.573293	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+NH4+HCOOH"	64.039293
"1188588"	291.500551333333	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+3Na"	68.967654
"1658481"	874.528688	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Na+HCOOH"	68.994688
"166432"	1687.98704	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+2K-H"	76.91904
"599803"	2493.52104	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+2K-H"	76.91904
"1092702"	882.45304	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2K-H"	76.91904
"150615"	844.497158	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"2M+2K"	77.926316
"589085"	1247.264158	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"3M+2K"	77.926316
"1074689"	441.730158	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2K"	77.926316
"1107898"	884.467592	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2K+H"	78.933592
"1344285"	884.555207	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+DMSO+H"	79.021207
"1017185"	888.594376	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2ACN+H"	83.060376
"1532034"	889.588008	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+IsoProp+Na+H"	84.054008
"1000667"	444.800826	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+2ACN+2H"	84.067652
"1599543"	890.502628	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+K+HCOOH"	84.968628
"1426295"	920.534138	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+H+CF3COOH"	115.000138
"1151121"	465.314101	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+3ACN+2H"	125.094202
"1706140"	937.560685	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+NH4+CF3COOH"	132.026685
"1640697"	942.51608	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+Na+CF3COOH"	136.98208
"1574162"	958.49002	"C16865"	"Scytophycin C"	"C45H75NO11"	"805.534"	"M+K+CF3COOH"	152.95602
"816604"	499.2968	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M"	0
"986813"	480.27841	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H2O-H"	-19.01839
"75056"	331.857257333333	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-3H"	-3.021828
"511335"	498.289524	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-3H"	-3.021828
"890230"	165.424990666667	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-3H"	-3.021828
"13177"	498.289524	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H"	-2.014552
"446176"	747.937924	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H"	-2.014552
"823978"	248.641124	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H"	-2.014552
"83970"	997.586324	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-H"	-1.007276
"524629"	1496.883124	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-H"	-1.007276
"899148"	498.289524	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H"	-1.007276
"54982"	1014.612871	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H+NH4"	16.019271
"495636"	1513.909671	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H+NH4"	16.019271
"870159"	515.316071	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H+NH4"	16.019271
"44256"	1019.568266	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H+Na"	20.974666
"478350"	1518.865066	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H+Na"	20.974666
"856150"	520.271466	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H+Na"	20.974666
"1621309"	520.271466	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na-2H"	20.974666
"98930"	516.277863	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-H+Cl"	33.962126
"540676"	765.926263	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-H+Cl"	33.962126
"929818"	266.629463	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+Cl"	33.962126
"272749"	1033.563002	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Cl"	34.969402
"665171"	1532.859802	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+Cl"	34.969402
"1280856"	534.266202	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl"	34.969402
"17942"	1035.542206	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M-2H+K"	36.948606
"461878"	1534.839006	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M-2H+K"	36.948606
"836398"	536.245406	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-2H+K"	36.948606
"1556604"	536.245406	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K-2H"	36.948606
"943311"	544.294994	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+HCOOH"	44.998194
"362335"	1043.591801	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+HCOOH-H"	44.998201
"347438"	1057.607451	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Hac-H"	59.013851
"1495429"	558.310651	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Hac-H"	59.013851
"960781"	566.276951	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+NaCOOH"	66.980151
"114064"	534.266202	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2Cl"	69.938804
"555812"	783.914602	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2Cl"	69.938804
"1030079"	284.617802	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2Cl"	69.938804
"1246379"	578.215685	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Br"	78.918885
"1308827"	580.271672	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl+HCOOH"	80.974872
"1321950"	602.253629	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl+NaCOOH"	102.956829
"916287"	612.282386	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M-H+CF3COOH"	112.985586
"1289228"	648.259064	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Cl+CF3COOH"	148.962264
"1368971"	464.284124	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H-2H2O"	-35.012676
"1388653"	482.2941	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H-H2O"	-17.0027
"289433"	999.600876	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H"	1.007276
"686229"	1498.897676	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H"	1.007276
"1354924"	500.304076	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H"	1.007276
"128909"	500.304076	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2H"	2.014552
"573935"	749.952476	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2H"	2.014552
"1046017"	250.655676	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2H"	2.014552
"210637"	333.871809333333	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+3H"	3.021828
"646553"	500.304076	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+3H"	3.021828
"1163952"	167.439542666667	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+3H"	3.021828
"425158"	1016.627423	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+NH4"	18.033823
"786151"	1515.924223	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+NH4"	18.033823
"1681872"	517.330623	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+NH4"	18.033823
"330313"	508.8173495	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H+NH4"	19.041099
"725247"	758.4657495	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H+NH4"	19.041099
"1478702"	259.1689495	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+NH4"	19.041099
"395559"	1021.582818	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Na"	22.989218
"755462"	1520.879618	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+Na"	22.989218
"1604653"	522.286018	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na"	22.989218
"316878"	511.295047	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H+Na"	23.996494
"709664"	760.943447	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H+Na"	23.996494
"1462386"	261.646647	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+Na"	23.996494
"1055272"	174.766856666667	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2H+Na"	25.00377
"1258774"	532.330286	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+CH3OH+H"	33.033486
"379172"	1037.556758	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+K"	38.963158
"739803"	1536.853558	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+K"	38.963158
"1541491"	538.259958	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K"	38.963158
"303417"	519.282017	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+H+K"	39.970434
"695839"	768.930417	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+H+K"	39.970434
"1447471"	269.633617	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+K"	39.970434
"243734"	1040.627426	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+ACN+H"	42.033826
"1219727"	541.330626	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+ACN+H"	42.033826
"1202518"	271.168951	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+ACN+2H"	43.041102
"197573"	1043.56476	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2Na-H"	44.97116
"642604"	1542.86156	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2Na-H"	44.97116
"1146527"	544.26796	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2Na-H"	44.97116
"183935"	522.286018	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2Na"	45.978436
"621308"	771.934418	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2Na"	45.978436
"1122627"	272.637618	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2Na"	45.978436
"1401411"	182.094170666667	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+2Na"	46.985712
"1432796"	546.309546	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+HCOOH"	47.012746
"223588"	527.31904	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+3H2O+2H"	56.04448
"1517118"	560.36159	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+IsoProp+H"	61.06479
"423617"	530.272988	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+Na+K"	61.952376
"778895"	779.921388	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+Na+K"	61.952376
"1675223"	280.624588	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na+K"	61.952376
"261744"	1062.609368	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+ACN+Na"	64.015768
"1227891"	563.312568	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+ACN+Na"	64.015768
"1723346"	563.336093	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+NH4+HCOOH"	64.039293
"1189427"	189.421484666667	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+3Na"	68.967654
"1659684"	568.291488	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na+HCOOH"	68.994688
"166542"	1075.51264	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2K-H"	76.91904
"599913"	1574.80944	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2K-H"	76.91904
"1089532"	576.21584	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2K-H"	76.91904
"149631"	538.259958	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"2M+2K"	77.926316
"589190"	787.908358	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"3M+2K"	77.926316
"1078079"	288.611558	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2K"	77.926316
"1109101"	578.230392	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2K+H"	78.933592
"1345488"	578.318007	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+DMSO+H"	79.021207
"1017295"	582.357176	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2ACN+H"	83.060376
"1531051"	583.350808	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+IsoProp+Na+H"	84.054008
"1000777"	291.682226	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+2ACN+2H"	84.067652
"1598560"	584.265428	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K+HCOOH"	84.968628
"1428471"	614.296938	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+H+CF3COOH"	115.000138
"1150138"	312.195501	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+3ACN+2H"	125.094202
"1706250"	631.323485	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+NH4+CF3COOH"	132.026685
"1638620"	636.27888	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+Na+CF3COOH"	136.98208
"1572085"	652.25282	"C16868"	"Tauroursodeoxycholic acid"	"C26H45NO6S"	"499.2968"	"M+K+CF3COOH"	152.95602
"816640"	818.4816	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M"	0
"989526"	799.46321	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-H2O-H"	-19.01839
"78082"	544.647124	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M-3H"	-3.021828
"514725"	817.474324	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M-3H"	-3.021828
"895202"	271.819924	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-3H"	-3.021828
"11101"	817.474324	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M-2H"	-2.014552
"445193"	1226.715124	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M-2H"	-2.014552
"822995"	408.233524	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-2H"	-2.014552
"85174"	1635.955924	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M-H"	-1.007276
"522553"	2454.437524	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M-H"	-1.007276
"897314"	817.474324	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-H"	-1.007276
"51812"	1652.982471	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M-2H+NH4"	16.019271
"493559"	2471.464071	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M-2H+NH4"	16.019271
"870269"	834.500871	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-2H+NH4"	16.019271
"37805"	1657.937866	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M-2H+Na"	20.974666
"481740"	2476.419466	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M-2H+Na"	20.974666
"851278"	839.456266	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-2H+Na"	20.974666
"1619717"	839.456266	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Na-2H"	20.974666
"99040"	835.462663	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M-H+Cl"	33.962126
"538600"	1244.703463	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M-H+Cl"	33.962126
"927982"	426.221863	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-H+Cl"	33.962126
"273954"	1671.932602	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+Cl"	34.969402
"668562"	2490.414202	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+Cl"	34.969402
"1280967"	853.451002	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Cl"	34.969402
"18050"	1673.911806	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M-2H+K"	36.948606
"461988"	2492.393406	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M-2H+K"	36.948606
"836144"	855.430206	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-2H+K"	36.948606
"1557808"	855.430206	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+K-2H"	36.948606
"944598"	863.479794	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-H+HCOOH"	44.998194
"362573"	1681.961401	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+HCOOH-H"	44.998201
"353268"	1695.977051	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+Hac-H"	59.013851
"1494446"	877.495451	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Hac-H"	59.013851
"959921"	885.461751	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-H+NaCOOH"	66.980151
"113082"	853.451002	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+2Cl"	69.938804
"555923"	1262.691802	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+2Cl"	69.938804
"1030190"	444.210202	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2Cl"	69.938804
"1246489"	897.400485	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Br"	78.918885
"1307844"	899.456472	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Cl+HCOOH"	80.974872
"1326434"	921.438429	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Cl+NaCOOH"	102.956829
"916399"	931.467186	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M-H+CF3COOH"	112.985586
"1294200"	967.443864	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Cl+CF3COOH"	148.962264
"1371268"	783.468924	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H-2H2O"	-35.012676
"1387671"	801.4789	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H-H2O"	-17.0027
"290637"	1637.970476	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+H"	1.007276
"686338"	2456.452076	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+H"	1.007276
"1356128"	819.488876	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H"	1.007276
"131206"	819.488876	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+2H"	2.014552
"572952"	1228.729676	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+2H"	2.014552
"1046126"	410.248076	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2H"	2.014552
"211841"	546.661676	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+3H"	3.021828
"652496"	819.488876	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+3H"	3.021828
"1163330"	273.834476	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+3H"	3.021828
"426605"	1654.997023	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+NH4"	18.033823
"786139"	2473.478623	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+NH4"	18.033823
"1681496"	836.515423	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+NH4"	18.033823
"330261"	828.0021495	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+H+NH4"	19.041099
"725358"	1237.2429495	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+H+NH4"	19.041099
"1479177"	418.7613495	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H+NH4"	19.041099
"398951"	1659.952418	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+Na"	22.989218
"756303"	2478.434018	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+Na"	22.989218
"1605127"	841.470818	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Na"	22.989218
"316261"	830.479847	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+H+Na"	23.996494
"709774"	1239.720647	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+H+Na"	23.996494
"1463964"	421.239047	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H+Na"	23.996494
"1056840"	281.16179	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2H+Na"	25.00377
"1258522"	851.515086	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+CH3OH+H"	33.033486
"379647"	1675.926358	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+K"	38.963158
"741736"	2494.407958	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+K"	38.963158
"1540266"	857.444758	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+K"	38.963158
"305712"	838.466817	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+H+K"	39.970434
"693034"	1247.707617	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+H+K"	39.970434
"1447581"	429.226017	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H+K"	39.970434
"241658"	1678.997026	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+ACN+H"	42.033826
"1215462"	860.515426	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+ACN+H"	42.033826
"1205909"	430.761351	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+ACN+2H"	43.041102
"195497"	1681.93436	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+2Na-H"	44.97116
"641621"	2500.41596	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+2Na-H"	44.97116
"1146756"	863.45276	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2Na-H"	44.97116
"184045"	841.470818	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+2Na"	45.978436
"619595"	1250.711618	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+2Na"	45.978436
"1117997"	432.230018	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2Na"	45.978436
"1400792"	288.489104	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H+2Na"	46.985712
"1433635"	865.494346	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H+HCOOH"	47.012746
"222967"	846.50384	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+3H2O+2H"	56.04448
"1511762"	879.54639	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+IsoProp+H"	61.06479
"423844"	849.457788	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+Na+K"	61.952376
"782287"	1258.698588	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+Na+K"	61.952376
"1674243"	440.216988	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Na+K"	61.952376
"261854"	1700.978968	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+ACN+Na"	64.015768
"1227271"	882.497368	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+ACN+Na"	64.015768
"1722358"	882.520893	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+NH4+HCOOH"	64.039293
"1190267"	295.816418	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+3Na"	68.967654
"1660887"	887.476288	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Na+HCOOH"	68.994688
"167384"	1713.88224	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+2K-H"	76.91904
"606213"	2532.36384	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+2K-H"	76.91904
"1089634"	895.40064	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2K-H"	76.91904
"148648"	857.444758	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"2M+2K"	77.926316
"589300"	1266.685558	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"3M+2K"	77.926316
"1078189"	448.203958	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2K"	77.926316
"1112491"	897.415192	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2K+H"	78.933592
"1346691"	897.502807	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+DMSO+H"	79.021207
"1017405"	901.541976	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2ACN+H"	83.060376
"1534441"	902.535608	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+IsoProp+Na+H"	84.054008
"1000887"	451.274626	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+2ACN+2H"	84.067652
"1600860"	903.450228	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+K+HCOOH"	84.968628
"1427609"	933.481738	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+H+CF3COOH"	115.000138
"1156810"	471.787901	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+3ACN+2H"	125.094202
"1709641"	950.508285	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+NH4+CF3COOH"	132.026685
"1646385"	955.46368	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+Na+CF3COOH"	136.98208
"1573287"	971.43762	"C16870"	"Dinophysistoxin 1;DTX 1"	"C45H70O13"	"818.4816"	"M+K+CF3COOH"	152.95602
"816913"	874.4715	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M"	0
"989712"	855.45311	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-H2O-H"	-19.01839
"78376"	581.973724	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M-3H"	-3.021828
"514834"	873.464224	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M-3H"	-3.021828
"895451"	290.483224	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-3H"	-3.021828
"13398"	873.464224	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M-2H"	-2.014552
"450770"	1310.699974	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M-2H"	-2.014552
"826385"	436.228474	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-2H"	-2.014552
"86378"	1747.935724	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M-H"	-1.007276
"523027"	2622.407224	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M-H"	-1.007276
"900098"	873.464224	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-H"	-1.007276
"54838"	1764.962271	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M-2H+NH4"	16.019271
"491118"	2639.433771	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M-2H+NH4"	16.019271
"870014"	890.490771	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-2H+NH4"	16.019271
"37915"	1769.917666	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M-2H+Na"	20.974666
"475289"	2644.389166	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M-2H+Na"	20.974666
"853089"	895.446166	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-2H+Na"	20.974666
"1622622"	895.446166	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Na-2H"	20.974666
"99150"	891.452563	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M-H+Cl"	33.962126
"541991"	1328.688313	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M-H+Cl"	33.962126
"931133"	454.216813	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-H+Cl"	33.962126
"277344"	1783.912402	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+Cl"	34.969402
"667578"	2658.383902	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+Cl"	34.969402
"1283263"	909.440902	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Cl"	34.969402
"18160"	1785.891606	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M-2H+K"	36.948606
"457721"	2660.363106	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M-2H+K"	36.948606
"836254"	911.420106	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-2H+K"	36.948606
"1557921"	911.420106	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+K-2H"	36.948606
"945806"	919.469694	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-H+HCOOH"	44.998194
"362930"	1793.941201	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+HCOOH-H"	44.998201
"353378"	1807.956851	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+Hac-H"	59.013851
"1495648"	933.485351	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Hac-H"	59.013851
"959299"	941.451651	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-H+NaCOOH"	66.980151
"115378"	909.440902	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+2Cl"	69.938804
"554939"	1346.676652	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+2Cl"	69.938804
"1032486"	472.205152	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2Cl"	69.938804
"1249878"	953.390385	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Br"	78.918885
"1310140"	955.446372	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Cl+HCOOH"	80.974872
"1327637"	977.428329	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Cl+NaCOOH"	102.956829
"918694"	987.457086	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M-H+CF3COOH"	112.985586
"1292123"	1023.433764	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Cl+CF3COOH"	148.962264
"1376845"	839.458824	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H-2H2O"	-35.012676
"1388875"	857.4688	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H-H2O"	-17.0027
"292934"	1749.950276	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+H"	1.007276
"684261"	2624.421776	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+H"	1.007276
"1362799"	875.478776	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H"	1.007276
"137148"	875.478776	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+2H"	2.014552
"576342"	1312.714526	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+2H"	2.014552
"1046236"	438.243026	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2H"	2.014552
"214137"	583.988276	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+3H"	3.021828
"655887"	875.478776	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+3H"	3.021828
"1171826"	292.497776	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+3H"	3.021828
"428540"	1766.976823	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+NH4"	18.033823
"791718"	2641.448323	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+NH4"	18.033823
"1685133"	892.505323	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+NH4"	18.033823
"334506"	883.9920495	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+H+NH4"	19.041099
"729842"	1321.2277995	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+H+NH4"	19.041099
"1484756"	446.7562995	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H+NH4"	19.041099
"401248"	1771.932218	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+Na"	22.989218
"758966"	2646.403718	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+Na"	22.989218
"1608157"	897.460718	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Na"	22.989218
"318923"	886.469747	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+H+Na"	23.996494
"712074"	1323.705497	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+H+Na"	23.996494
"1464438"	449.233997	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H+Na"	23.996494
"1060959"	299.82509	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2H+Na"	25.00377
"1261548"	907.504986	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+CH3OH+H"	33.033486
"381944"	1787.906158	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+K"	38.963158
"742213"	2662.377658	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+K"	38.963158
"1539934"	913.434658	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+K"	38.963158
"303636"	894.456717	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+H+K"	39.970434
"700434"	1331.692467	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+H+K"	39.970434
"1448786"	457.220967	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H+K"	39.970434
"242861"	1790.976826	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+ACN+H"	42.033826
"1217757"	916.505326	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+ACN+H"	42.033826
"1205655"	458.756301	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+ACN+2H"	43.041102
"195607"	1793.91416	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+2Na-H"	44.97116
"640638"	2668.38566	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+2Na-H"	44.97116
"1146908"	919.44266	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2Na-H"	44.97116
"184155"	897.460718	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+2Na"	45.978436
"622256"	1334.696468	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+2Na"	45.978436
"1119200"	460.224968	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2Na"	45.978436
"1402724"	307.152404	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H+2Na"	46.985712
"1433380"	921.484246	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H+HCOOH"	47.012746
"223441"	902.49374	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+3H2O+2H"	56.04448
"1515152"	935.53629	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+IsoProp+H"	61.06479
"423835"	905.447688	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+Na+K"	61.952376
"782398"	1342.683438	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+Na+K"	61.952376
"1675447"	468.211938	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Na+K"	61.952376
"260872"	1812.958768	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+ACN+Na"	64.015768
"1228111"	938.487268	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+ACN+Na"	64.015768
"1722468"	938.510793	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+NH4+HCOOH"	64.039293
"1188916"	314.479718	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+3Na"	68.967654
"1659901"	943.466188	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Na+HCOOH"	68.994688
"167858"	1825.86204	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+2K-H"	76.91904
"607416"	2700.33354	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+2K-H"	76.91904
"1087559"	951.39054	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2K-H"	76.91904
"150944"	913.434658	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"2M+2K"	77.926316
"589410"	1350.670408	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"3M+2K"	77.926316
"1075016"	476.198908	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2K"	77.926316
"1112601"	953.405092	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2K+H"	78.933592
"1348745"	953.492707	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+DMSO+H"	79.021207
"1017515"	957.531876	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2ACN+H"	83.060376
"1536735"	958.525508	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+IsoProp+Na+H"	84.054008
"1000994"	479.269576	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+2ACN+2H"	84.067652
"1600966"	959.440128	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+K+HCOOH"	84.968628
"1425532"	989.471638	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+H+CF3COOH"	115.000138
"1158013"	499.782851	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+3ACN+2H"	125.094202
"1709751"	1006.498185	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+NH4+CF3COOH"	132.026685
"1646495"	1011.45358	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+Na+CF3COOH"	136.98208
"1573397"	1027.42752	"C16871"	"Pectenotoxin 1;PTX 1"	"C47H70O15"	"874.4715"	"M+K+CF3COOH"	152.95602
"816405"	1142.479	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M"	0
"988965"	1123.46061	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-H2O-H"	-19.01839
"75386"	760.645390666667	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M-3H"	-3.021828
"513851"	1141.471724	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M-3H"	-3.021828
"893841"	379.819057333333	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-3H"	-3.021828
"11321"	1141.471724	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M-2H"	-2.014552
"445412"	1712.711224	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M-2H"	-2.014552
"822120"	570.232224	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-2H"	-2.014552
"81021"	2283.950724	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M-H"	-1.007276
"524960"	3426.429724	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M-H"	-1.007276
"898750"	1141.471724	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-H"	-1.007276
"54948"	2300.977271	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M-2H+NH4"	16.019271
"491228"	3443.456271	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M-2H+NH4"	16.019271
"871217"	1158.498271	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-2H+NH4"	16.019271
"38025"	2305.932666	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M-2H+Na"	20.974666
"476492"	3448.411666	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M-2H+Na"	20.974666
"853199"	1163.453666	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-2H+Na"	20.974666
"1621639"	1163.453666	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Na-2H"	20.974666
"94887"	1159.460063	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M-H+Cl"	33.962126
"539914"	1730.699563	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M-H+Cl"	33.962126
"931244"	588.220563	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-H+Cl"	33.962126
"274175"	2319.927402	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+Cl"	34.969402
"664408"	3462.406402	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+Cl"	34.969402
"1280092"	1177.448402	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Cl"	34.969402
"18270"	2321.906606	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M-2H+K"	36.948606
"459289"	3464.385606	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M-2H+K"	36.948606
"835269"	1179.427606	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-2H+K"	36.948606
"1558031"	1179.427606	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+K-2H"	36.948606
"943728"	1187.477194	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-H+HCOOH"	44.998194
"361948"	2329.956201	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+HCOOH-H"	44.998201
"352395"	2343.971851	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+Hac-H"	59.013851
"1493165"	1201.492851	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Hac-H"	59.013851
"958653"	1209.459151	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-H+NaCOOH"	66.980151
"116582"	1177.448402	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+2Cl"	69.938804
"553956"	1748.687902	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+2Cl"	69.938804
"1031868"	606.208902	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2Cl"	69.938804
"1249988"	1221.397885	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Br"	78.918885
"1309157"	1223.453872	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Cl+HCOOH"	80.974872
"1331027"	1245.435829	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Cl+NaCOOH"	102.956829
"919898"	1255.464586	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M-H+CF3COOH"	112.985586
"1296607"	1291.441264	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Cl+CF3COOH"	148.962264
"1374769"	1107.466324	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H-2H2O"	-35.012676
"1392264"	1125.4763	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H-H2O"	-17.0027
"296324"	2285.965276	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+H"	1.007276
"684371"	3428.444276	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+H"	1.007276
"1360722"	1143.486276	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H"	1.007276
"134706"	1143.486276	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+2H"	2.014552
"576090"	1714.725776	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+2H"	2.014552
"1047440"	572.246776	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2H"	2.014552
"213154"	762.659942666667	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+3H"	3.021828
"652717"	1143.486276	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+3H"	3.021828
"1167561"	381.833609333333	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+3H"	3.021828
"428649"	2302.991823	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+NH4"	18.033823
"789642"	3445.470823	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+NH4"	18.033823
"1684150"	1160.512823	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+NH4"	18.033823
"332794"	1151.9995495	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+H+NH4"	19.041099
"726308"	1723.2390495	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+H+NH4"	19.041099
"1483772"	580.7600495	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H+NH4"	19.041099
"400266"	2307.947218	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+Na"	22.989218
"755430"	3450.426218	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+Na"	22.989218
"1606808"	1165.468218	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Na"	22.989218
"318305"	1154.477247	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+H+Na"	23.996494
"711816"	1725.716747	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+H+Na"	23.996494
"1463456"	583.237747	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H+Na"	23.996494
"1055604"	389.160923333333	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2H+Na"	25.00377
"1261657"	1175.512486	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+CH3OH+H"	33.033486
"380596"	2323.921158	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+K"	38.963158
"741230"	3466.400158	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+K"	38.963158
"1542188"	1181.442158	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+K"	38.963158
"301559"	1162.464217	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+H+K"	39.970434
"697264"	1733.703717	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+H+K"	39.970434
"1449989"	591.224717	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H+K"	39.970434
"244065"	2326.991826	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+ACN+H"	42.033826
"1213495"	1184.512826	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+ACN+H"	42.033826
"1205765"	592.760051	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+ACN+2H"	43.041102
"196811"	2329.92916	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+2Na-H"	44.97116
"643422"	3472.40816	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+2Na-H"	44.97116
"1146080"	1187.45016	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2Na-H"	44.97116
"184265"	1165.468218	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+2Na"	45.978436
"621638"	1736.707718	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+2Na"	45.978436
"1118946"	594.228718	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2Na"	45.978436
"1402834"	396.488237333333	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H+2Na"	46.985712
"1432397"	1189.491746	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H+HCOOH"	47.012746
"223187"	1170.50124	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+3H2O+2H"	56.04448
"1515262"	1203.54379	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+IsoProp+H"	61.06479
"423700"	1173.455188	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+Na+K"	61.952376
"782508"	1744.694688	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+Na+K"	61.952376
"1676649"	602.215688	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Na+K"	61.952376
"262075"	2348.973768	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+ACN+Na"	64.015768
"1228221"	1206.494768	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+ACN+Na"	64.015768
"1721485"	1206.518293	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+NH4+HCOOH"	64.039293
"1187933"	403.815551333333	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+3Na"	68.967654
"1660011"	1211.473688	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Na+HCOOH"	68.994688
"165781"	2361.87704	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+2K-H"	76.91904
"603154"	3504.35604	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+2K-H"	76.91904
"1089855"	1219.39804	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2K-H"	76.91904
"142171"	1181.442158	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"2M+2K"	77.926316
"582956"	1752.681658	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"3M+2K"	77.926316
"1075126"	610.202658	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2K"	77.926316
"1113804"	1221.412592	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2K+H"	78.933592
"1348976"	1221.500207	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+DMSO+H"	79.021207
"1017625"	1225.539376	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2ACN+H"	83.060376
"1538304"	1226.533008	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+IsoProp+Na+H"	84.054008
"1001104"	613.273326	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+2ACN+2H"	84.067652
"1600712"	1227.447628	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+K+HCOOH"	84.968628
"1425641"	1257.479138	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+H+CF3COOH"	115.000138
"1158123"	633.786601	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+3ACN+2H"	125.094202
"1709861"	1274.505685	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+NH4+CF3COOH"	132.026685
"1648428"	1279.46108	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+Na+CF3COOH"	136.98208
"1574601"	1295.43502	"C16872"	"Yessotoxin"	"C55H82O21S2"	"1142.479"	"M+K+CF3COOH"	152.95602
"816515"	238.2297	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M"	0
"989160"	219.21131	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-H2O-H"	-19.01839
"76225"	157.812524	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M-3H"	-3.021828
"515054"	237.222424	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M-3H"	-3.021828
"893223"	78.402624	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-3H"	-3.021828
"14105"	237.222424	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M-2H"	-2.014552
"447709"	356.337274	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M-2H"	-2.014552
"821137"	118.107574	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-2H"	-2.014552
"84411"	475.452124	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M-H"	-1.007276
"525070"	713.681824	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M-H"	-1.007276
"898129"	237.222424	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-H"	-1.007276
"55058"	492.478671	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M-2H+NH4"	16.019271
"491338"	730.708371	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M-2H+NH4"	16.019271
"868047"	254.248971	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-2H+NH4"	16.019271
"38134"	497.434066	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M-2H+Na"	20.974666
"475509"	735.663766	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M-2H+Na"	20.974666
"851121"	259.204366	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-2H+Na"	20.974666
"1623936"	259.204366	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Na-2H"	20.974666
"99370"	255.210763	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M-H+Cl"	33.962126
"538565"	374.325613	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M-H+Cl"	33.962126
"930623"	136.095913	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-H+Cl"	33.962126
"275378"	511.428802	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+Cl"	34.969402
"666705"	749.658502	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+Cl"	34.969402
"1280203"	273.199102	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Cl"	34.969402
"21664"	513.408006	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M-2H+K"	36.948606
"460492"	751.637706	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M-2H+K"	36.948606
"836109"	275.178306	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-2H+K"	36.948606
"1558142"	275.178306	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+K-2H"	36.948606
"943835"	283.227894	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-H+HCOOH"	44.998194
"361446"	521.457601	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+HCOOH-H"	44.998201
"350317"	535.473251	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+Hac-H"	59.013851
"1496961"	297.243551	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Hac-H"	59.013851
"961221"	305.209851	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-H+NaCOOH"	66.980151
"115596"	273.199102	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+2Cl"	69.938804
"554066"	392.313952	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+2Cl"	69.938804
"1032706"	154.084252	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2Cl"	69.938804
"1250098"	317.148585	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Br"	78.918885
"1313639"	319.204572	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Cl+HCOOH"	80.974872
"1330043"	341.186529	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Cl+NaCOOH"	102.956829
"922195"	351.215286	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M-H+CF3COOH"	112.985586
"1303685"	387.191964	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Cl+CF3COOH"	148.962264
"1378159"	203.217024	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H-2H2O"	-35.012676
"1394561"	221.227	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H-H2O"	-17.0027
"296434"	477.466676	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+H"	1.007276
"684481"	715.696376	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+H"	1.007276
"1363019"	239.236976	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H"	1.007276
"137003"	239.236976	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+2H"	2.014552
"573283"	358.351826	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+2H"	2.014552
"1047550"	120.122126	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2H"	2.014552
"209984"	159.827076	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+3H"	3.021828
"651733"	239.236976	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+3H"	3.021828
"1168765"	80.417176	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+3H"	3.021828
"426935"	494.493223	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+NH4"	18.033823
"790848"	732.722923	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+NH4"	18.033823
"1684987"	256.263523	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+NH4"	18.033823
"333994"	247.7502495	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+H+NH4"	19.041099
"726419"	366.8650995	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+H+NH4"	19.041099
"1483154"	128.6353995	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H+NH4"	19.041099
"402563"	499.448618	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+Na"	22.989218
"764653"	737.678318	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+Na"	22.989218
"1614937"	261.218918	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Na"	22.989218
"324975"	250.227947	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+H+Na"	23.996494
"718489"	369.342797	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+H+Na"	23.996494
"1464658"	131.113097	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H+Na"	23.996494
"1057901"	87.74449	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2H+Na"	25.00377
"1263957"	271.263186	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+CH3OH+H"	33.033486
"380345"	515.422558	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+K"	38.963158
"741341"	753.652258	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+K"	38.963158
"1543394"	277.192858	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+K"	38.963158
"299353"	258.214917	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+H+K"	39.970434
"692997"	377.329767	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+H+K"	39.970434
"1450099"	139.100067	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H+K"	39.970434
"244175"	518.493226	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+ACN+H"	42.033826
"1214698"	280.263526	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+ACN+H"	42.033826
"1205146"	140.635401	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+ACN+2H"	43.041102
"198014"	521.43056	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+2Na-H"	44.97116
"643170"	759.66026	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+2Na-H"	44.97116
"1145462"	283.20086	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2Na-H"	44.97116
"178178"	261.218918	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+2Na"	45.978436
"621748"	380.333768	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+2Na"	45.978436
"1118691"	142.104068	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2Na"	45.978436
"1401851"	95.071804	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H+2Na"	46.985712
"1433601"	285.242446	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H+HCOOH"	47.012746
"223297"	266.25194	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+3H2O+2H"	56.04448
"1515372"	299.29449	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+IsoProp+H"	61.06479
"422354"	269.205888	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+Na+K"	61.952376
"781525"	388.320738	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+Na+K"	61.952376
"1677124"	150.091038	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Na+K"	61.952376
"259998"	540.475168	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+ACN+Na"	64.015768
"1228330"	302.245468	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+ACN+Na"	64.015768
"1721594"	302.268993	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+NH4+HCOOH"	64.039293
"1188408"	102.399118	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+3Na"	68.967654
"1657935"	307.224388	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Na+HCOOH"	68.994688
"165892"	553.37844	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+2K-H"	76.91904
"603263"	791.60814	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+2K-H"	76.91904
"1091424"	315.14874	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2K-H"	76.91904
"141673"	277.192858	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"2M+2K"	77.926316
"585252"	396.307708	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"3M+2K"	77.926316
"1074143"	158.078008	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2K"	77.926316
"1113916"	317.163292	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2K+H"	78.933592
"1350058"	317.250907	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+DMSO+H"	79.021207
"1017735"	321.290076	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2ACN+H"	83.060376
"1537926"	322.283708	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+IsoProp+Na+H"	84.054008
"1000121"	161.148676	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+2ACN+2H"	84.067652
"1600459"	323.198328	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+K+HCOOH"	84.968628
"1426483"	353.229838	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+H+CF3COOH"	115.000138
"1159326"	181.661951	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+3ACN+2H"	125.094202
"1709971"	370.256385	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+NH4+CF3COOH"	132.026685
"1648538"	375.21178	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+Na+CF3COOH"	136.98208
"1574711"	391.18572	"C16873"	"Bombykol"	"C16H30O"	"238.2297"	"M+K+CF3COOH"	152.95602
"813830"	494.3244	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M"	0
"989188"	475.30601	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-H2O-H"	-19.01839
"75976"	328.542324	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M-3H"	-3.021828
"514073"	493.317124	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M-3H"	-3.021828
"891874"	163.767524	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-3H"	-3.021828
"7167"	493.317124	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M-2H"	-2.014552
"447822"	740.479324	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M-2H"	-2.014552
"820518"	246.154924	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-2H"	-2.014552
"86710"	987.641524	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M-H"	-1.007276
"524088"	1481.965924	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M-H"	-1.007276
"905171"	493.317124	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-H"	-1.007276
"56266"	1004.668071	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M-2H+NH4"	16.019271
"494001"	1498.992471	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M-2H+NH4"	16.019271
"868157"	510.343671	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-2H+NH4"	16.019271
"38245"	1009.623466	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M-2H+Na"	20.974666
"473797"	1503.947866	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M-2H+Na"	20.974666
"853420"	515.299066	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-2H+Na"	20.974666
"1627328"	515.299066	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Na-2H"	20.974666
"96929"	511.305463	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M-H+Cl"	33.962126
"537951"	758.467663	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M-H+Cl"	33.962126
"931097"	264.143263	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-H+Cl"	33.962126
"273300"	1023.618202	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+Cl"	34.969402
"664629"	1517.942602	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+Cl"	34.969402
"1278123"	529.293802	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Cl"	34.969402
"21774"	1025.597406	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M-2H+K"	36.948606
"460602"	1519.921806	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M-2H+K"	36.948606
"836585"	531.273006	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-2H+K"	36.948606
"1558253"	531.273006	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+K-2H"	36.948606
"943948"	539.322594	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-H+HCOOH"	44.998194
"363253"	1033.647001	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+HCOOH-H"	44.998201
"353708"	1047.662651	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+Hac-H"	59.013851
"1498165"	553.338251	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Hac-H"	59.013851
"960238"	561.304551	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-H+NaCOOH"	66.980151
"114614"	529.293802	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+2Cl"	69.938804
"557456"	776.456002	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+2Cl"	69.938804
"1032816"	282.131602	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2Cl"	69.938804
"1250208"	573.243285	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Br"	78.918885
"1315936"	575.299272	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Cl+HCOOH"	80.974872
"1334285"	597.281229	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Cl+NaCOOH"	102.956829
"925589"	607.309986	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M-H+CF3COOH"	112.985586
"1303634"	643.286664	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Cl+CF3COOH"	148.962264
"1377173"	459.311724	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H-2H2O"	-35.012676
"1394670"	477.3217	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H-H2O"	-17.0027
"294357"	989.656076	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+H"	1.007276
"685684"	1483.980476	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+H"	1.007276
"1362036"	495.331676	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H"	1.007276
"139300"	495.331676	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+2H"	2.014552
"576675"	742.493876	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+2H"	2.014552
"1049848"	248.169476	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2H"	2.014552
"212282"	330.556876	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+3H"	3.021828
"654029"	495.331676	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+3H"	3.021828
"1168146"	165.782076	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+3H"	3.021828
"427774"	1006.682623	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+NH4"	18.033823
"791320"	1501.007023	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+NH4"	18.033823
"1683274"	512.358223	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+NH4"	18.033823
"333741"	503.8449495	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+H+NH4"	19.041099
"729444"	751.0071495	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+H+NH4"	19.041099
"1483266"	256.6827495	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H+NH4"	19.041099
"401581"	1011.638018	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+Na"	22.989218
"765857"	1505.962418	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+Na"	22.989218
"1615049"	517.313618	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Na"	22.989218
"323990"	506.322647	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+H+Na"	23.996494
"718600"	753.484847	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+H+Na"	23.996494
"1469139"	259.160447	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H+Na"	23.996494
"1058010"	173.10939	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2H+Na"	25.00377
"1264065"	527.357886	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+CH3OH+H"	33.033486
"382642"	1027.611958	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+K"	38.963158
"742545"	1521.936358	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+K"	38.963158
"1542411"	533.287558	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+K"	38.963158
"299590"	514.309617	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+H+K"	39.970434
"695293"	761.471817	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+H+K"	39.970434
"1449117"	267.147417	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H+K"	39.970434
"242090"	1030.682626	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+ACN+H"	42.033826
"1219178"	536.358226	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+ACN+H"	42.033826
"1205256"	268.682751	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+ACN+2H"	43.041102
"197031"	1033.61996	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+2Na-H"	44.97116
"640969"	1527.94436	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+2Na-H"	44.97116
"1144841"	539.29556	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2Na-H"	44.97116
"178288"	517.313618	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+2Na"	45.978436
"616754"	764.475818	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+2Na"	45.978436
"1118072"	270.151418	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2Na"	45.978436
"1402325"	180.436704	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H+2Na"	46.985712
"1436626"	541.337146	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H+HCOOH"	47.012746
"225229"	522.34664	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+3H2O+2H"	56.04448
"1512564"	555.38919	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+IsoProp+H"	61.06479
"412980"	525.300588	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+Na+K"	61.952376
"779448"	772.462788	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+Na+K"	61.952376
"1676868"	278.138388	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Na+K"	61.952376
"259014"	1052.664568	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+ACN+Na"	64.015768
"1228075"	558.340168	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+ACN+Na"	64.015768
"1722069"	558.363693	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+NH4+HCOOH"	64.039293
"1188883"	187.764018	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+3Na"	68.967654
"1658045"	563.319088	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Na+HCOOH"	68.994688
"164907"	1065.56784	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+2K-H"	76.91904
"601187"	1559.89224	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+2K-H"	76.91904
"1088982"	571.24344	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2K-H"	76.91904
"142268"	533.287558	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"2M+2K"	77.926316
"582441"	780.449758	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"3M+2K"	77.926316
"1069503"	286.125358	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2K"	77.926316
"1101499"	573.257992	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2K+H"	78.933592
"1349196"	573.345607	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+DMSO+H"	79.021207
"1014565"	577.384776	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2ACN+H"	83.060376
"1537916"	578.378408	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+IsoProp+Na+H"	84.054008
"1000231"	289.196026	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+2ACN+2H"	84.067652
"1600569"	579.293028	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+K+HCOOH"	84.968628
"1425864"	609.324538	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+H+CF3COOH"	115.000138
"1162559"	309.709301	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+3ACN+2H"	125.094202
"1712271"	626.351085	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+NH4+CF3COOH"	132.026685
"1646825"	631.30648	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+Na+CF3COOH"	136.98208
"1578104"	647.28042	"C16874"	"Makisterone A"	"C28H46O7"	"494.3244"	"M+K+CF3COOH"	152.95602
"816500"	761.2618	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M"	0
"989873"	742.24341	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-H2O-H"	-19.01839
"77870"	506.500590666667	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M-3H"	-3.021828
"513089"	760.254524	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M-3H"	-3.021828
"890890"	252.746657333333	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-3H"	-3.021828
"8370"	760.254524	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M-2H"	-2.014552
"449025"	1140.885424	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M-2H"	-2.014552
"821357"	379.623624	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-2H"	-2.014552
"89006"	1521.516324	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M-H"	-1.007276
"524198"	2282.778124	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M-H"	-1.007276
"903093"	760.254524	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-H"	-1.007276
"53821"	1538.542871	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M-2H+NH4"	16.019271
"492287"	2299.804671	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M-2H+NH4"	16.019271
"867902"	777.281071	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-2H+NH4"	16.019271
"38355"	1543.498266	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M-2H+Na"	20.974666
"475000"	2304.760066	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M-2H+Na"	20.974666
"853530"	782.236466	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-2H+Na"	20.974666
"1624158"	782.236466	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Na-2H"	20.974666
"97403"	778.242863	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M-H+Cl"	33.962126
"538060"	1158.873763	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M-H+Cl"	33.962126
"933760"	397.611963	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-H+Cl"	33.962126
"271950"	1557.493002	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+Cl"	34.969402
"665103"	2318.754802	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+Cl"	34.969402
"1280421"	796.231202	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Cl"	34.969402
"25167"	1559.472206	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M-2H+K"	36.948606
"462537"	2320.734006	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M-2H+K"	36.948606
"837060"	798.210406	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-2H+K"	36.948606
"1557997"	798.210406	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+K-2H"	36.948606
"945152"	806.259994	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-H+HCOOH"	44.998194
"362637"	1567.521801	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+HCOOH-H"	44.998201
"350538"	1581.537451	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+Hac-H"	59.013851
"1498275"	820.275651	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Hac-H"	59.013851
"961444"	828.241951	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-H+NaCOOH"	66.980151
"115817"	796.231202	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+2Cl"	69.938804
"560846"	1176.862102	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+2Cl"	69.938804
"1032562"	415.600302	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2Cl"	69.938804
"1253599"	840.180685	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Br"	78.918885
"1317141"	842.236672	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Cl+HCOOH"	80.974872
"1335170"	864.218629	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Cl+NaCOOH"	102.956829
"926676"	874.247386	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M-H+CF3COOH"	112.985586
"1303745"	910.224064	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Cl+CF3COOH"	148.962264
"1382026"	726.249124	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H-2H2O"	-35.012676
"1397580"	744.2591	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H-H2O"	-17.0027
"295564"	1523.530876	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+H"	1.007276
"690780"	2284.792676	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+H"	1.007276
"1365306"	762.269076	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H"	1.007276
"139410"	762.269076	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+2H"	2.014552
"577879"	1142.899976	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+2H"	2.014552
"1048865"	381.638176	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2H"	2.014552
"214580"	508.515142666667	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+3H"	3.021828
"656326"	762.269076	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+3H"	3.021828
"1168621"	254.761209333333	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+3H"	3.021828
"429707"	1540.557423	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+NH4"	18.033823
"793253"	2301.819223	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+NH4"	18.033823
"1683386"	779.295623	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+NH4"	18.033823
"336039"	770.7823495	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+H+NH4"	19.041099
"731377"	1151.4132495	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+H+NH4"	19.041099
"1483372"	390.1514495	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H+NH4"	19.041099
"403879"	1545.512818	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+Na"	22.989218
"763778"	2306.774618	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+Na"	22.989218
"1615158"	784.251018	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Na"	22.989218
"327383"	773.260047	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+H+Na"	23.996494
"720898"	1153.890947	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+H+Na"	23.996494
"1474720"	392.629147	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H+Na"	23.996494
"1062497"	262.088523333333	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2H+Na"	25.00377
"1268550"	794.295286	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+CH3OH+H"	33.033486
"391863"	1561.486758	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+K"	38.963158
"748119"	2322.748558	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+K"	38.963158
"1551266"	800.224958	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+K"	38.963158
"302983"	781.247017	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+H+K"	39.970434
"698683"	1161.877917	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+H+K"	39.970434
"1451413"	400.616117	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H+K"	39.970434
"240377"	1564.557426	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+ACN+H"	42.033826
"1213089"	803.295626	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+ACN+H"	42.033826
"1207189"	402.151451	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+ACN+2H"	43.041102
"202243"	1567.49476	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+2Na-H"	44.97116
"639985"	2328.75656	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+2Na-H"	44.97116
"1142399"	806.23296	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2Na-H"	44.97116
"179491"	784.251018	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+2Na"	45.978436
"619051"	1164.881918	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+2Na"	45.978436
"1120733"	403.620118	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2Na"	45.978436
"1404623"	269.415837333333	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H+2Na"	46.985712
"1441108"	808.274546	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H+HCOOH"	47.012746
"225703"	789.28404	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+3H2O+2H"	56.04448
"1515589"	822.32659	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+IsoProp+H"	61.06479
"413090"	792.237988	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+Na+K"	61.952376
"780651"	1172.868888	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+Na+K"	61.952376
"1674792"	411.607088	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Na+K"	61.952376
"260217"	1586.539368	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+ACN+Na"	64.015768
"1231831"	825.277568	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+ACN+Na"	64.015768
"1721814"	825.301093	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+NH4+HCOOH"	64.039293
"1186076"	276.743151333333	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+3Na"	68.967654
"1657062"	830.256488	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Na+HCOOH"	68.994688
"162830"	1599.44264	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+2K-H"	76.91904
"601297"	2360.70444	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+2K-H"	76.91904
"1085685"	838.18084	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2K-H"	76.91904
"143350"	800.224958	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"2M+2K"	77.926316
"582551"	1180.855858	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"3M+2K"	77.926316
"1069732"	419.594058	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2K"	77.926316
"1102093"	840.195392	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2K+H"	78.933592
"1337750"	840.283007	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+DMSO+H"	79.021207
"1012487"	844.322176	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2ACN+H"	83.060376
"1536081"	845.315808	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+IsoProp+Na+H"	84.054008
"997061"	422.664726	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+2ACN+2H"	84.067652
"1594845"	846.230428	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+K+HCOOH"	84.968628
"1421598"	876.261938	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+H+CF3COOH"	115.000138
"1161738"	443.178001	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+3ACN+2H"	125.094202
"1712507"	893.288485	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+NH4+CF3COOH"	132.026685
"1646935"	898.24388	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+Na+CF3COOH"	136.98208
"1578214"	914.21782	"C16875"	"Trabectedin;Ecteinascidin 743"	"C39H43N3O11S"	"761.2618"	"M+K+CF3COOH"	152.95602
"817009"	1476.932	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M"	0
"989762"	1457.91361	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-H2O-H"	-19.01839
"78509"	983.614057333333	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M-3H"	-3.021828
"515386"	1475.924724	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M-3H"	-3.021828
"889907"	491.303390666667	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-3H"	-3.021828
"6294"	1475.924724	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M-2H"	-2.014552
"448042"	2214.390724	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M-2H"	-2.014552
"819645"	737.458724	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-2H"	-2.014552
"85837"	2952.856724	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M-H"	-1.007276
"524308"	4429.788724	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M-H"	-1.007276
"903203"	1475.924724	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-H"	-1.007276
"50287"	2969.883271	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M-2H+NH4"	16.019271
"490939"	4446.815271	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M-2H+NH4"	16.019271
"867284"	1492.951271	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-2H+NH4"	16.019271
"38465"	2974.838666	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M-2H+Na"	20.974666
"473653"	4451.770666	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M-2H+Na"	20.974666
"853640"	1497.906666	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-2H+Na"	20.974666
"1620987"	1497.906666	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Na-2H"	20.974666
"98608"	1493.913063	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M-H+Cl"	33.962126
"537076"	2232.379063	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M-H+Cl"	33.962126
"934963"	755.447063	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-H+Cl"	33.962126
"272060"	2988.833402	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+Cl"	34.969402
"665943"	4465.765402	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+Cl"	34.969402
"1279439"	1511.901402	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Cl"	34.969402
"19811"	2990.812606	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M-2H+K"	36.948606
"462647"	4467.744606	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M-2H+K"	36.948606
"837170"	1513.880606	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-2H+K"	36.948606
"1558469"	1513.880606	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+K-2H"	36.948606
"944897"	1521.930194	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-H+HCOOH"	44.998194
"363841"	2998.862201	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+HCOOH-H"	44.998201
"347367"	3012.877851	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+Hac-H"	59.013851
"1493767"	1535.945851	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Hac-H"	59.013851
"959001"	1543.912151	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-H+NaCOOH"	66.980151
"117021"	1511.901402	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+2Cl"	69.938804
"557676"	2250.367402	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+2Cl"	69.938804
"1034130"	773.435402	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2Cl"	69.938804
"1252615"	1555.850885	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Br"	78.918885
"1317251"	1557.906872	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Cl+HCOOH"	80.974872
"1334269"	1579.888829	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Cl+NaCOOH"	102.956829
"926541"	1589.917586	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M-H+CF3COOH"	112.985586
"1302882"	1625.894264	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Cl+CF3COOH"	148.962264
"1381406"	1441.919324	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H-2H2O"	-35.012676
"1397081"	1459.9293	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H-H2O"	-17.0027
"296767"	2954.871276	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+H"	1.007276
"690853"	4431.803276	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+H"	1.007276
"1364443"	1477.939276	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H"	1.007276
"138427"	1477.939276	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+2H"	2.014552
"579082"	2216.405276	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+2H"	2.014552
"1050069"	739.473276	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2H"	2.014552
"214690"	985.628609333333	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+3H"	3.021828
"657288"	1477.939276	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+3H"	3.021828
"1168730"	493.317942666667	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+3H"	3.021828
"430909"	2971.897823	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+NH4"	18.033823
"793364"	4448.829823	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+NH4"	18.033823
"1684225"	1494.965823	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+NH4"	18.033823
"333599"	1486.4525495	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+H+NH4"	19.041099
"727476"	2224.9185495	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+H+NH4"	19.041099
"1482025"	747.9865495	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H+NH4"	19.041099
"400706"	2976.853218	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+Na"	22.989218
"762796"	4453.785218	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+Na"	22.989218
"1611988"	1499.921218	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Na"	22.989218
"325306"	1488.930247	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+H+Na"	23.996494
"716635"	2227.396247	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+H+Na"	23.996494
"1470455"	750.464247	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H+Na"	23.996494
"1059326"	500.645256666667	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2H+Na"	25.00377
"1263192"	1509.965486	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+CH3OH+H"	33.033486
"382861"	2992.827158	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+K"	38.963158
"744950"	4469.759158	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+K"	38.963158
"1551377"	1515.895158	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+K"	38.963158
"304183"	1496.917217	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+H+K"	39.970434
"696607"	2235.383217	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+H+K"	39.970434
"1452617"	758.451217	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H+K"	39.970434
"239394"	2995.897826	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+ACN+H"	42.033826
"1214290"	1518.965826	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+ACN+H"	42.033826
"1205476"	759.986551	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+ACN+2H"	43.041102
"202840"	2998.83516	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+2Na-H"	44.97116
"639001"	4475.76716	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+2Na-H"	44.97116
"1142509"	1521.90316	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2Na-H"	44.97116
"178144"	1499.921218	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+2Na"	45.978436
"619161"	2238.387218	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+2Na"	45.978436
"1119385"	761.455218	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2Na"	45.978436
"1404730"	507.972570666667	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H+2Na"	46.985712
"1436845"	1523.944746	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H+HCOOH"	47.012746
"226542"	1504.95424	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+3H2O+2H"	56.04448
"1516063"	1537.99679	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+IsoProp+H"	61.06479
"415386"	1507.908188	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+Na+K"	61.952376
"779668"	2246.374188	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+Na+K"	61.952376
"1671623"	769.442188	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Na+K"	61.952376
"259234"	3017.879768	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+ACN+Na"	64.015768
"1230848"	1540.947768	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+ACN+Na"	64.015768
"1716454"	1540.971293	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+NH4+HCOOH"	64.039293
"1181810"	515.299884666667	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+3Na"	68.967654
"1657172"	1545.926688	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Na+HCOOH"	68.994688
"161847"	3030.78304	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+2K-H"	76.91904
"600314"	4507.71504	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+2K-H"	76.91904
"1085307"	1553.85104	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2K-H"	76.91904
"142368"	1515.895158	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"2M+2K"	77.926316
"582540"	2254.361158	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"3M+2K"	77.926316
"1069115"	777.429158	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2K"	77.926316
"1102203"	1555.865592	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2K+H"	78.933592
"1339682"	1555.953207	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+DMSO+H"	79.021207
"1012597"	1559.992376	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2ACN+H"	83.060376
"1535827"	1560.986008	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+IsoProp+Na+H"	84.054008
"998264"	780.499826	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+2ACN+2H"	84.067652
"1592769"	1561.900628	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+K+HCOOH"	84.968628
"1419522"	1591.932138	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+H+CF3COOH"	115.000138
"1161846"	801.013101	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+3ACN+2H"	125.094202
"1712492"	1608.958685	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+NH4+CF3COOH"	132.026685
"1647045"	1613.91408	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+Na+CF3COOH"	136.98208
"1578324"	1629.88802	"C16876"	"Kahalalide F"	"C75H124N14O16"	"1476.932"	"M+K+CF3COOH"	152.95602
"816554"	654.2708	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M"	0
"984412"	635.25241	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-H2O-H"	-19.01839
"74842"	435.173257333333	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M-3H"	-3.021828
"518340"	653.263524	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M-3H"	-3.021828
"890017"	217.082990666667	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-3H"	-3.021828
"9684"	653.263524	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M-2H"	-2.014552
"450339"	980.398924	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M-2H"	-2.014552
"819390"	326.128124	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-2H"	-2.014552
"84854"	1307.534324	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M-H"	-1.007276
"522231"	1961.805124	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M-H"	-1.007276
"903313"	653.263524	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-H"	-1.007276
"50032"	1324.560871	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M-2H+NH4"	16.019271
"488132"	1978.831671	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M-2H+NH4"	16.019271
"867756"	670.290071	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-2H+NH4"	16.019271
"36023"	1329.516266	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M-2H+Na"	20.974666
"474490"	1983.787066	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M-2H+Na"	20.974666
"849010"	675.245466	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-2H+Na"	20.974666
"1620730"	675.245466	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Na-2H"	20.974666
"95800"	671.251863	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M-H+Cl"	33.962126
"537182"	998.387263	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M-H+Cl"	33.962126
"930334"	344.116463	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-H+Cl"	33.962126
"268890"	1343.511002	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+Cl"	34.969402
"666053"	1997.781802	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+Cl"	34.969402
"1279551"	689.240202	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Cl"	34.969402
"26483"	1345.490206	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M-2H+K"	36.948606
"463852"	1999.761006	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M-2H+K"	36.948606
"836187"	691.219406	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-2H+K"	36.948606
"1557853"	691.219406	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+K-2H"	36.948606
"946468"	699.268994	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-H+HCOOH"	44.998194
"365777"	1353.539801	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+HCOOH-H"	44.998201
"350758"	1367.555451	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+Hac-H"	59.013851
"1498497"	713.284651	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Hac-H"	59.013851
"962757"	721.250951	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-H+NaCOOH"	66.980151
"122599"	689.240202	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+2Cl"	69.938804
"564347"	1016.375602	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+2Cl"	69.938804
"1035336"	362.104802	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2Cl"	69.938804
"1256007"	733.189685	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Br"	78.918885
"1318821"	735.245672	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Cl+HCOOH"	80.974872
"1334742"	757.227629	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Cl+NaCOOH"	102.956829
"923735"	767.256386	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M-H+CF3COOH"	112.985586
"1302631"	803.233064	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Cl+CF3COOH"	148.962264
"1380795"	619.258124	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H-2H2O"	-35.012676
"1396827"	637.2681	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H-H2O"	-17.0027
"297730"	1309.548876	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+H"	1.007276
"690152"	1963.819676	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+H"	1.007276
"1365285"	655.278076	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H"	1.007276
"138905"	655.278076	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+2H"	2.014552
"580290"	982.413476	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+2H"	2.014552
"1050179"	328.142676	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2H"	2.014552
"216987"	437.187809333333	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+3H"	3.021828
"658370"	655.278076	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+3H"	3.021828
"1169571"	219.097542666667	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+3H"	3.021828
"431019"	1326.575423	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+NH4"	18.033823
"792744"	1980.846223	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+NH4"	18.033823
"1683607"	672.304623	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+NH4"	18.033823
"334437"	663.7913495	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+H+NH4"	19.041099
"726128"	990.9267495	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+H+NH4"	19.041099
"1484688"	336.6559495	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H+NH4"	19.041099
"403004"	1331.530818	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+Na"	22.989218
"762906"	1985.801618	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+Na"	22.989218
"1611007"	677.260018	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Na"	22.989218
"325416"	666.269047	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+H+Na"	23.996494
"718931"	993.404447	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+H+Na"	23.996494
"1469471"	339.133647	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H+Na"	23.996494
"1060530"	226.424856666667	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2H+Na"	25.00377
"1263301"	687.304286	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+CH3OH+H"	33.033486
"384064"	1347.504758	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+K"	38.963158
"746153"	2001.775558	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+K"	38.963158
"1544926"	693.233958	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+K"	38.963158
"304290"	674.256017	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+H+K"	39.970434
"696716"	1001.391417	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+H+K"	39.970434
"1450539"	347.120617	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H+K"	39.970434
"239140"	1350.575426	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+ACN+H"	42.033826
"1214037"	696.304626	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+ACN+H"	42.033826
"1207409"	348.655951	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+ACN+2H"	43.041102
"202343"	1353.51276	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+2Na-H"	44.97116
"641663"	2007.78356	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+2Na-H"	44.97116
"1145052"	699.24196	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2Na-H"	44.97116
"184450"	677.260018	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+2Na"	45.978436
"624740"	1004.395418	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+2Na"	45.978436
"1119135"	350.124618	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2Na"	45.978436
"1402660"	233.752170666667	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H+2Na"	46.985712
"1434408"	701.283546	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H+HCOOH"	47.012746
"228839"	682.29304	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+3H2O+2H"	56.04448
"1513260"	715.33559	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+IsoProp+H"	61.06479
"414767"	685.246988	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+Na+K"	61.952376
"779415"	1012.382388	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+Na+K"	61.952376
"1671734"	358.111588	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Na+K"	61.952376
"259344"	1372.557368	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+ACN+Na"	64.015768
"1234238"	718.286568	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+ACN+Na"	64.015768
"1718752"	718.310093	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+NH4+HCOOH"	64.039293
"1185933"	241.079484666667	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+3Na"	68.967654
"1657283"	723.265488	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Na+HCOOH"	68.994688
"159771"	1385.46064	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+2K-H"	76.91904
"602612"	2039.73144	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+2K-H"	76.91904
"1085175"	731.18984	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2K-H"	76.91904
"143937"	693.233958	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"2M+2K"	77.926316
"583501"	1020.369358	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"3M+2K"	77.926316
"1068781"	366.098558	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2K"	77.926316
"1101220"	733.204392	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2K+H"	78.933592
"1336026"	733.292007	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+DMSO+H"	79.021207
"1012704"	737.331176	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2ACN+H"	83.060376
"1535208"	738.324808	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+IsoProp+Na+H"	84.054008
"998374"	369.169226	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+2ACN+2H"	84.067652
"1588867"	739.239428	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+K+HCOOH"	84.968628
"1420726"	769.270938	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+H+CF3COOH"	115.000138
"1160863"	389.682501	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+3ACN+2H"	125.094202
"1710415"	786.297485	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+NH4+CF3COOH"	132.026685
"1649342"	791.25288	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+Na+CF3COOH"	136.98208
"1578434"	807.22682	"C16877"	"Cryptophycin 1;Cryptophycin"	"C35H43ClN2O8"	"654.2708"	"M+K+CF3COOH"	152.95602
"816096"	1075.7284	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M"	0
"985615"	1056.71001	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-H2O-H"	-19.01839
"77138"	716.144990666667	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M-3H"	-3.021828
"512325"	1074.721124	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M-3H"	-3.021828
"894869"	357.568857333333	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-3H"	-3.021828
"8701"	1074.721124	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M-2H"	-2.014552
"450449"	1612.585324	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M-2H"	-2.014552
"829345"	536.856924	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-2H"	-2.014552
"84964"	2150.449524	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M-H"	-1.007276
"520151"	3226.177924	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M-H"	-1.007276
"903425"	1074.721124	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-H"	-1.007276
"53425"	2167.476071	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M-2H+NH4"	16.019271
"491891"	3243.204471	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M-2H+NH4"	16.019271
"867866"	1091.747671	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-2H+NH4"	16.019271
"38686"	2172.431466	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M-2H+Na"	20.974666
"476060"	3248.159866	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M-2H+Na"	20.974666
"852401"	1096.703066	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-2H+Na"	20.974666
"1621568"	1096.703066	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Na-2H"	20.974666
"94574"	1092.709463	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M-H+Cl"	33.962126
"535469"	1630.573663	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M-H+Cl"	33.962126
"928253"	554.845263	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-H+Cl"	33.962126
"269001"	2186.426202	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+Cl"	34.969402
"662882"	3262.154602	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+Cl"	34.969402
"1280751"	1110.697802	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Cl"	34.969402
"18204"	2188.405406	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M-2H+K"	36.948606
"459587"	3264.133806	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M-2H+K"	36.948606
"836297"	1112.677006	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-2H+K"	36.948606
"1556141"	1112.677006	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+K-2H"	36.948606
"945485"	1120.726594	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-H+HCOOH"	44.998194
"364793"	2196.455001	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+HCOOH-H"	44.998201
"346858"	2210.470651	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+Hac-H"	59.013851
"1496055"	1134.742251	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Hac-H"	59.013851
"962502"	1142.708551	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-H+NaCOOH"	66.980151
"117243"	1110.697802	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+2Cl"	69.938804
"560085"	1648.562002	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+2Cl"	69.938804
"1031072"	572.833602	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2Cl"	69.938804
"1247368"	1154.647285	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Br"	78.918885
"1316377"	1156.703272	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Cl+HCOOH"	80.974872
"1331687"	1178.685229	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Cl+NaCOOH"	102.956829
"925665"	1188.713986	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M-H+CF3COOH"	112.985586
"1303590"	1224.690664	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Cl+CF3COOH"	148.962264
"1381996"	1040.715724	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H-2H2O"	-35.012676
"1398038"	1058.7257	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H-H2O"	-17.0027
"296989"	2152.464076	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+H"	1.007276
"690747"	3228.192476	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+H"	1.007276
"1364666"	1076.735676	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H"	1.007276
"140352"	1076.735676	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+2H"	2.014552
"581129"	1614.599876	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+2H"	2.014552
"1048102"	538.871476	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2H"	2.014552
"218920"	718.159542666667	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+3H"	3.021828
"658237"	1076.735676	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+3H"	3.021828
"1171138"	359.583409333333	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+3H"	3.021828
"436961"	2169.490623	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+NH4"	18.033823
"795770"	3245.219023	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+NH4"	18.033823
"1684082"	1093.762223	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+NH4"	18.033823
"335276"	1085.2489495	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+H+NH4"	19.041099
"726967"	1623.1131495	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+H+NH4"	19.041099
"1483340"	547.3847495	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H+NH4"	19.041099
"400926"	2174.446018	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+Na"	22.989218
"767391"	3250.174418	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+Na"	22.989218
"1618286"	1098.717618	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Na"	22.989218
"324431"	1087.726647	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+H+Na"	23.996494
"717947"	1625.590847	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+H+Na"	23.996494
"1469578"	549.862447	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H+Na"	23.996494
"1057360"	366.910723333333	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2H+Na"	25.00377
"1262319"	1108.761886	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+CH3OH+H"	33.033486
"380164"	2190.419958	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+K"	38.963158
"744076"	3266.148358	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+K"	38.963158
"1548319"	1114.691558	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+K"	38.963158
"304400"	1095.713617	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+H+K"	39.970434
"694640"	1633.577817	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+H+K"	39.970434
"1448460"	557.849417	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H+K"	39.970434
"238521"	2193.490626	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+ACN+H"	42.033826
"1213055"	1117.762226	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+ACN+H"	42.033826
"1204604"	559.384751	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+ACN+2H"	43.041102
"199659"	2196.42796	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+2Na-H"	44.97116
"641045"	3272.15636	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+2Na-H"	44.97116
"1143702"	1120.69956	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2Na-H"	44.97116
"184561"	1098.717618	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+2Na"	45.978436
"616830"	1636.581818	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+2Na"	45.978436
"1122526"	560.853418	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2Na"	45.978436
"1400096"	374.238037333333	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H+2Na"	46.985712
"1441447"	1122.741146	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H+HCOOH"	47.012746
"232236"	1103.75064	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+3H2O+2H"	56.04448
"1512642"	1136.79319	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+IsoProp+H"	61.06479
"413784"	1106.704588	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+Na+K"	61.952376
"781713"	1644.568788	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+Na+K"	61.952376
"1674031"	568.840388	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Na+K"	61.952376
"259455"	2215.472568	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+ACN+Na"	64.015768
"1232160"	1139.744168	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+ACN+Na"	64.015768
"1717771"	1139.767693	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+NH4+HCOOH"	64.039293
"1186407"	381.565351333333	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+3Na"	68.967654
"1656300"	1144.723088	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Na+HCOOH"	68.994688
"163161"	2228.37584	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+2K-H"	76.91904
"601628"	3304.10424	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+2K-H"	76.91904
"1084839"	1152.64744	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2K-H"	76.91904
"142953"	1114.691558	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"2M+2K"	77.926316
"582884"	1652.555758	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"3M+2K"	77.926316
"1069218"	576.827358	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2K"	77.926316
"1100845"	1154.661992	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2K+H"	78.933592
"1336380"	1154.749607	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+DMSO+H"	79.021207
"1016100"	1158.788776	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2ACN+H"	83.060376
"1533131"	1159.782408	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+IsoProp+Na+H"	84.054008
"998485"	579.898026	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+2ACN+2H"	84.067652
"1601738"	1160.697028	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+K+HCOOH"	84.968628
"1421929"	1190.728538	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+H+CF3COOH"	115.000138
"1160972"	600.411301	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+3ACN+2H"	125.094202
"1711619"	1207.755085	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+NH4+CF3COOH"	132.026685
"1649089"	1212.71048	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+Na+CF3COOH"	136.98208
"1576355"	1228.68442	"C16878"	"Aplyronine A"	"C59H101N3O14"	"1075.7284"	"M+K+CF3COOH"	152.95602
"816942"	240.0569	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M"	0
"985725"	221.03851	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-H2O-H"	-19.01839
"73968"	159.030657333333	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M-3H"	-3.021828
"512435"	239.049624	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M-3H"	-3.021828
"890237"	79.0116906666667	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-3H"	-3.021828
"4437"	239.049624	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M-2H"	-2.014552
"448372"	359.078074	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M-2H"	-2.014552
"829455"	119.021174	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-2H"	-2.014552
"86167"	479.106524	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M-H"	-1.007276
"520261"	719.163424	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M-H"	-1.007276
"903535"	239.049624	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-H"	-1.007276
"53535"	496.133071	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M-2H+NH4"	16.019271
"490175"	736.189971	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M-2H+NH4"	16.019271
"867975"	256.076171	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-2H+NH4"	16.019271
"38796"	501.088466	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M-2H+Na"	20.974666
"476170"	741.145366	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M-2H+Na"	20.974666
"852511"	261.031566	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-2H+Na"	20.974666
"1622407"	261.031566	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Na-2H"	20.974666
"94928"	257.037963	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M-H+Cl"	33.962126
"535336"	377.066413	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M-H+Cl"	33.962126
"928365"	137.009513	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-H+Cl"	33.962126
"270204"	515.083202	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+Cl"	34.969402
"664086"	755.140102	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+Cl"	34.969402
"1277581"	275.026302	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Cl"	34.969402
"17583"	517.062406	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M-2H+K"	36.948606
"458604"	757.119306	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M-2H+K"	36.948606
"836407"	277.005506	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-2H+K"	36.948606
"1556616"	277.005506	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+K-2H"	36.948606
"946688"	285.055094	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-H+HCOOH"	44.998194
"367088"	525.112001	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+HCOOH-H"	44.998201
"348060"	539.127651	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+Hac-H"	59.013851
"1498716"	299.070751	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Hac-H"	59.013851
"961883"	307.037051	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-H+NaCOOH"	66.980151
"117352"	275.026302	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+2Cl"	69.938804
"558008"	395.054752	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+2Cl"	69.938804
"1031181"	154.997852	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2Cl"	69.938804
"1246384"	318.975785	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Br"	78.918885
"1314300"	321.031772	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Cl+HCOOH"	80.974872
"1329611"	343.013729	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Cl+NaCOOH"	102.956829
"925044"	353.042486	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M-H+CF3COOH"	112.985586
"1301753"	389.019164	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Cl+CF3COOH"	148.962264
"1378822"	205.044224	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H-2H2O"	-35.012676
"1396683"	223.0542	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H-H2O"	-17.0027
"298278"	481.121076	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+H"	1.007276
"689884"	721.177976	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+H"	1.007276
"1363682"	241.064176	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H"	1.007276
"141068"	241.064176	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+2H"	2.014552
"580144"	361.092626	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+2H"	2.014552
"1047118"	121.035726	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2H"	2.014552
"216113"	161.045209333333	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+3H"	3.021828
"654579"	241.064176	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+3H"	3.021828
"1169790"	81.0262426666667	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+3H"	3.021828
"433792"	498.147623	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+NH4"	18.033823
"795880"	738.204523	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+NH4"	18.033823
"1683464"	258.090723	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+NH4"	18.033823
"333565"	249.5774495	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+H+NH4"	19.041099
"728536"	369.6058995	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+H+NH4"	19.041099
"1484544"	129.5489995	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H+NH4"	19.041099
"399943"	503.103018	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+Na"	22.989218
"763127"	743.159918	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+Na"	22.989218
"1618031"	263.046118	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Na"	22.989218
"324542"	252.055147	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+H+Na"	23.996494
"718058"	372.083597	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+H+Na"	23.996494
"1471875"	132.026697	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H+Na"	23.996494
"1057470"	88.3535566666667	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2H+Na"	25.00377
"1263522"	273.090386	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+CH3OH+H"	33.033486
"381003"	519.076958	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+K"	38.963158
"747466"	759.133858	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+K"	38.963158
"1548429"	279.020058	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+K"	38.963158
"304510"	260.042117	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+H+K"	39.970434
"698030"	380.070567	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+H+K"	39.970434
"1448570"	140.013667	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H+K"	39.970434
"239360"	522.147626	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+ACN+H"	42.033826
"1218628"	282.090726	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+ACN+H"	42.033826
"1204714"	141.549001	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+ACN+2H"	43.041102
"201227"	525.08496	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+2Na-H"	44.97116
"640426"	765.14186	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+2Na-H"	44.97116
"1145026"	285.02806	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2Na-H"	44.97116
"183942"	263.046118	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+2Na"	45.978436
"616576"	383.074568	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+2Na"	45.978436
"1124823"	143.017668	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2Na"	45.978436
"1400693"	95.6808706666667	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H+2Na"	46.985712
"1441557"	287.069646	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H+HCOOH"	47.012746
"232346"	268.07914	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+3H2O+2H"	56.04448
"1512023"	301.12169	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+IsoProp+H"	61.06479
"412437"	271.033088	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+Na+K"	61.952376
"781823"	391.061538	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+Na+K"	61.952376
"1676327"	151.004638	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Na+K"	61.952376
"259565"	544.129568	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+ACN+Na"	64.015768
"1233364"	304.072668	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+ACN+Na"	64.015768
"1720067"	304.096193	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+NH4+HCOOH"	64.039293
"1184328"	103.008184666667	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+3Na"	68.967654
"1655311"	309.051588	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Na+HCOOH"	68.994688
"162175"	557.03284	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+2K-H"	76.91904
"599915"	797.08974	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+2K-H"	76.91904
"1084585"	316.97594	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2K-H"	76.91904
"145249"	279.020058	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"2M+2K"	77.926316
"583723"	399.048508	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"3M+2K"	77.926316
"1069449"	158.991608	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2K"	77.926316
"1100591"	318.990492	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2K+H"	78.933592
"1336003"	319.078107	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+DMSO+H"	79.021207
"1015117"	323.117276	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2ACN+H"	83.060376
"1532148"	324.110908	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+IsoProp+Na+H"	84.054008
"996409"	162.062276	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+2ACN+2H"	84.067652
"1601484"	325.025528	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+K+HCOOH"	84.968628
"1420946"	355.057038	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+H+CF3COOH"	115.000138
"1159989"	182.575551	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+3ACN+2H"	125.094202
"1711729"	372.083585	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+NH4+CF3COOH"	132.026685
"1648835"	377.03898	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+Na+CF3COOH"	136.98208
"1576465"	393.01292	"C16880"	"S 1319"	"C10H12N2O3S"	"240.0569"	"M+K+CF3COOH"	152.95602
"816643"	1122.5763	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M"	0
"984742"	1103.55791	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-H2O-H"	-19.01839
"74078"	747.376924	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M-3H"	-3.021828
"510358"	1121.569024	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M-3H"	-3.021828
"888160"	373.184824	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-3H"	-3.021828
"4547"	1121.569024	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M-2H"	-2.014552
"445202"	1682.857174	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M-2H"	-2.014552
"824098"	560.280874	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-2H"	-2.014552
"87370"	2244.145324	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M-H"	-1.007276
"521829"	3366.721624	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M-H"	-1.007276
"905832"	1121.569024	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-H"	-1.007276
"54738"	2261.171871	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M-2H+NH4"	16.019271
"492473"	3383.748171	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M-2H+NH4"	16.019271
"868453"	1138.595571	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-2H+NH4"	16.019271
"40002"	2266.127266	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M-2H+Na"	20.974666
"480654"	3388.703566	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M-2H+Na"	20.974666
"857361"	1143.550966	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-2H+Na"	20.974666
"1623247"	1143.550966	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Na-2H"	20.974666
"96493"	1139.557363	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M-H+Cl"	33.962126
"536781"	1700.845513	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M-H+Cl"	33.962126
"930661"	578.269213	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-H+Cl"	33.962126
"270313"	2280.122002	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+Cl"	34.969402
"663468"	3402.698302	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+Cl"	34.969402
"1280973"	1157.545702	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Cl"	34.969402
"22436"	2282.101206	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M-2H+K"	36.948606
"458714"	3404.677506	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M-2H+K"	36.948606
"836517"	1159.524906	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-2H+K"	36.948606
"1558913"	1159.524906	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+K-2H"	36.948606
"946798"	1167.574494	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-H+HCOOH"	44.998194
"367199"	2290.150801	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+HCOOH-H"	44.998201
"347802"	2304.166451	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+Hac-H"	59.013851
"1495909"	1181.590151	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Hac-H"	59.013851
"964544"	1189.556451	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-H+NaCOOH"	66.980151
"115637"	1157.545702	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+2Cl"	69.938804
"554836"	1718.833852	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+2Cl"	69.938804
"1028010"	596.257552	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2Cl"	69.938804
"1245401"	1201.495185	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Br"	78.918885
"1311130"	1203.551172	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Cl+HCOOH"	80.974872
"1330814"	1225.533129	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Cl+NaCOOH"	102.956829
"919685"	1235.561886	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M-H+CF3COOH"	112.985586
"1297487"	1271.538564	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Cl+CF3COOH"	148.962264
"1382580"	1087.563624	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H-2H2O"	-35.012676
"1397887"	1105.5736	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H-H2O"	-17.0027
"296481"	2246.159876	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+H"	1.007276
"689630"	3368.736176	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+H"	1.007276
"1363792"	1123.583576	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H"	1.007276
"138868"	1123.583576	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+2H"	2.014552
"578431"	1684.871726	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+2H"	2.014552
"1044312"	562.295426	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2H"	2.014552
"215129"	749.391476	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+3H"	3.021828
"654689"	1123.583576	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+3H"	3.021828
"1168077"	375.199376	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+3H"	3.021828
"426609"	2263.186423	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+NH4"	18.033823
"788334"	3385.762723	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+NH4"	18.033823
"1681865"	1140.610123	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+NH4"	18.033823
"330753"	1132.0968495	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+H+NH4"	19.041099
"723133"	1693.3849995	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+H+NH4"	19.041099
"1479183"	570.8086995	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H+NH4"	19.041099
"394950"	2268.141818	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+Na"	22.989218
"761051"	3390.718118	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+Na"	22.989218
"1611334"	1145.565518	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Na"	22.989218
"319185"	1134.574547	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+H+Na"	23.996494
"713794"	1695.862697	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+H+Na"	23.996494
"1467612"	573.286397	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H+Na"	23.996494
"1057579"	382.52669	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2H+Na"	25.00377
"1261445"	1155.609786	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+CH3OH+H"	33.033486
"383301"	2284.115758	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+K"	38.963158
"744296"	3406.692058	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+K"	38.963158
"1548539"	1161.539458	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+K"	38.963158
"302069"	1142.561517	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+H+K"	39.970434
"692424"	1703.849667	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+H+K"	39.970434
"1445800"	581.273367	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H+K"	39.970434
"238377"	2287.186426	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+ACN+H"	42.033826
"1214363"	1164.610126	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+ACN+H"	42.033826
"1208960"	582.808701	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+ACN+2H"	43.041102
"197696"	2290.12376	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+2Na-H"	44.97116
"642602"	3412.70006	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+2Na-H"	44.97116
"1145138"	1167.54746	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2Na-H"	44.97116
"184052"	1145.565518	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+2Na"	45.978436
"623615"	1706.853668	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+2Na"	45.978436
"1120560"	584.277368	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2Na"	45.978436
"1408458"	389.854004	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H+2Na"	46.985712
"1440574"	1169.589046	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H+HCOOH"	47.012746
"231363"	1150.59854	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+3H2O+2H"	56.04448
"1513955"	1183.64109	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+IsoProp+H"	61.06479
"413640"	1153.552488	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+Na+K"	61.952376
"783025"	1714.840638	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+Na+K"	61.952376
"1673157"	592.264338	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Na+K"	61.952376
"257488"	2309.168368	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+ACN+Na"	64.015768
"1231652"	1186.592068	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+ACN+Na"	64.015768
"1719089"	1186.615593	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+NH4+HCOOH"	64.039293
"1185535"	397.181318	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+3Na"	68.967654
"1656520"	1191.570988	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Na+HCOOH"	68.994688
"161197"	2322.07164	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+2K-H"	76.91904
"598568"	3444.64794	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+2K-H"	76.91904
"1085268"	1199.49534	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2K-H"	76.91904
"142206"	1161.539458	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"2M+2K"	77.926316
"584928"	1722.827608	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"3M+2K"	77.926316
"1069680"	600.251308	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2K"	77.926316
"1104838"	1201.509892	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2K+H"	78.933592
"1336358"	1201.597507	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+DMSO+H"	79.021207
"1015227"	1205.636676	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2ACN+H"	83.060376
"1534446"	1206.630308	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+IsoProp+Na+H"	84.054008
"996519"	603.321976	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+2ACN+2H"	84.067652
"1600866"	1207.544928	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+K+HCOOH"	84.968628
"1427617"	1237.576438	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+H+CF3COOH"	115.000138
"1155721"	623.835251	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+3ACN+2H"	125.094202
"1709646"	1254.602985	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+NH4+CF3COOH"	132.026685
"1647485"	1259.55838	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+Na+CF3COOH"	136.98208
"1575482"	1275.53232	"C16881"	"Isohomohalichondrin B;IHB"	"C61H86O19"	"1122.5763"	"M+K+CF3COOH"	152.95602
"816793"	708.2522	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M"	0
"988862"	689.23381	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-H2O-H"	-19.01839
"77473"	471.160857333333	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M-3H"	-3.021828
"509375"	707.244924	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M-3H"	-3.021828
"884990"	235.076790666667	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-3H"	-3.021828
"7939"	707.244924	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M-2H"	-2.014552
"448592"	1061.371024	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M-2H"	-2.014552
"824208"	353.118824	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-2H"	-2.014552
"88578"	1415.497124	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M-H"	-1.007276
"529235"	2123.749324	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M-H"	-1.007276
"905943"	707.244924	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-H"	-1.007276
"51931"	1432.523671	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M-2H+NH4"	16.019271
"490761"	2140.775871	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M-2H+NH4"	16.019271
"867104"	724.271471	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-2H+NH4"	16.019271
"41205"	1437.479066	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M-2H+Na"	20.974666
"476023"	2145.731266	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M-2H+Na"	20.974666
"853460"	729.226866	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-2H+Na"	20.974666
"1622627"	729.226866	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Na-2H"	20.974666
"100252"	725.233263	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M-H+Cl"	33.962126
"536530"	1079.359363	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M-H+Cl"	33.962126
"929317"	371.107163	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-H+Cl"	33.962126
"270792"	1451.473802	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+Cl"	34.969402
"662243"	2159.726002	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+Cl"	34.969402
"1284366"	743.221602	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Cl"	34.969402
"20363"	1453.453006	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M-2H+K"	36.948606
"458824"	2161.705206	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M-2H+K"	36.948606
"839909"	745.200806	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-2H+K"	36.948606
"1562303"	745.200806	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+K-2H"	36.948606
"944722"	753.250394	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-H+HCOOH"	44.998194
"363304"	1461.502601	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+HCOOH-H"	44.998201
"346211"	1475.518251	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+Hac-H"	59.013851
"1494925"	767.266051	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Hac-H"	59.013851
"959792"	775.232351	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-H+NaCOOH"	66.980151
"113196"	743.221602	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+2Cl"	69.938804
"554216"	1097.347702	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+2Cl"	69.938804
"1027024"	389.095502	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2Cl"	69.938804
"1245508"	787.171085	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Br"	78.918885
"1314519"	789.227072	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Cl+HCOOH"	80.974872
"1327644"	811.209029	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Cl+NaCOOH"	102.956829
"923077"	821.237786	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M-H+CF3COOH"	112.985586
"1303430"	857.214464	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Cl+CF3COOH"	148.962264
"1382568"	673.239524	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H-2H2O"	-35.012676
"1397632"	691.2495	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H-H2O"	-17.0027
"298525"	1417.511676	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+H"	1.007276
"691204"	2125.763876	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+H"	1.007276
"1364631"	709.259476	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H"	1.007276
"140802"	709.259476	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+2H"	2.014552
"581218"	1063.385576	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+2H"	2.014552
"1047339"	355.133376	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2H"	2.014552
"216333"	473.175409333333	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+3H"	3.021828
"653706"	709.259476	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+3H"	3.021828
"1165635"	237.091342666667	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+3H"	3.021828
"427084"	1434.538223	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+NH4"	18.033823
"789176"	2142.790423	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+NH4"	18.033823
"1683683"	726.286023	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+NH4"	18.033823
"331598"	717.7727495	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+H+NH4"	19.041099
"726571"	1071.8988495	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+H+NH4"	19.041099
"1482578"	363.6466495	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H+NH4"	19.041099
"394697"	1439.493618	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+Na"	22.989218
"762256"	2147.745818	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+Na"	22.989218
"1605973"	731.241418	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Na"	22.989218
"316376"	720.250447	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+H+Na"	23.996494
"712807"	1074.376547	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+H+Na"	23.996494
"1468816"	366.124347	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H+Na"	23.996494
"1058784"	244.418656666667	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2H+Na"	25.00377
"1267024"	741.285686	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+CH3OH+H"	33.033486
"384504"	1455.467558	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+K"	38.963158
"743313"	2163.719758	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+K"	38.963158
"1548649"	747.215358	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+K"	38.963158
"302544"	728.237417	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+H+K"	39.970434
"696062"	1082.363517	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+H+K"	39.970434
"1453163"	374.111317	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H+K"	39.970434
"238488"	1458.538226	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+ACN+H"	42.033826
"1217754"	750.286026	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+ACN+H"	42.033826
"1200549"	375.646651	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+ACN+2H"	43.041102
"195612"	1461.47556	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+2Na-H"	44.97116
"633713"	2169.72776	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+2Na-H"	44.97116
"1141967"	753.22336	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2Na-H"	44.97116
"183070"	731.241418	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+2Na"	45.978436
"622631"	1085.367518	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+2Na"	45.978436
"1126138"	377.115318	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2Na"	45.978436
"1408568"	251.745970666667	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H+2Na"	46.985712
"1440684"	755.264946	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H+HCOOH"	47.012746
"230380"	736.27444	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+3H2O+2H"	56.04448
"1512972"	769.31699	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+IsoProp+H"	61.06479
"414844"	739.228388	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+Na+K"	61.952376
"776939"	1093.354488	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+Na+K"	61.952376
"1675453"	385.102288	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Na+K"	61.952376
"256505"	1480.520168	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+ACN+Na"	64.015768
"1231397"	772.267968	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+ACN+Na"	64.015768
"1720292"	772.291493	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+NH4+HCOOH"	64.039293
"1187831"	259.073284666667	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+3Na"	68.967654
"1652619"	777.246888	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Na+HCOOH"	68.994688
"160571"	1493.42344	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+2K-H"	76.91904
"598920"	2201.67564	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+2K-H"	76.91904
"1087565"	785.17124	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2K-H"	76.91904
"142558"	747.215358	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"2M+2K"	77.926316
"588318"	1101.341458	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"3M+2K"	77.926316
"1069912"	393.089258	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2K"	77.926316
"1104948"	787.185792	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2K+H"	78.933592
"1337076"	787.273407	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+DMSO+H"	79.021207
"1015342"	791.312576	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2ACN+H"	83.060376
"1536744"	792.306208	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+IsoProp+Na+H"	84.054008
"1002102"	396.159926	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+2ACN+2H"	84.067652
"1597698"	793.220828	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+K+HCOOH"	84.968628
"1425545"	823.252338	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+H+CF3COOH"	115.000138
"1158018"	416.673201	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+3ACN+2H"	125.094202
"1708663"	840.278885	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+NH4+CF3COOH"	132.026685
"1647231"	845.23428	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+Na+CF3COOH"	136.98208
"1578874"	861.20822	"C16883"	"Jasplakinolide;Jaspamide"	"C36H45BrN4O6"	"708.2522"	"M+K+CF3COOH"	152.95602
"805962"	122.0579	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M"	0
"986055"	103.03951	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-H2O-H"	-19.01839
"73207"	80.3646573333333	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M-3H"	-3.021828
"503771"	121.050624	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M-3H"	-3.021828
"882913"	39.6786906666667	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-3H"	-3.021828
"1729"	121.050624	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M-2H"	-2.014552
"445422"	182.079574	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M-2H"	-2.014552
"821038"	60.021674	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-2H"	-2.014552
"87595"	243.108524	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M-H"	-1.007276
"527158"	365.166424	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M-H"	-1.007276
"906053"	121.050624	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-H"	-1.007276
"50219"	260.135071	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M-2H+NH4"	16.019271
"491601"	382.192971	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M-2H+NH4"	16.019271
"867216"	138.077171	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-2H+NH4"	16.019271
"40222"	265.090466	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M-2H+Na"	20.974666
"475041"	387.148366	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M-2H+Na"	20.974666
"854301"	143.032566	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-2H+Na"	20.974666
"1622373"	143.032566	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Na-2H"	20.974666
"98175"	139.038963	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M-H+Cl"	33.962126
"537734"	200.067913	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M-H+Cl"	33.962126
"929064"	78.010013	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-H+Cl"	33.962126
"269809"	279.085202	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+Cl"	34.969402
"661502"	401.143102	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+Cl"	34.969402
"1274997"	157.027302	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Cl"	34.969402
"18287"	281.064406	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M-2H+K"	36.948606
"456504"	403.122306	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M-2H+K"	36.948606
"837832"	159.006506	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-2H+K"	36.948606
"1561320"	159.006506	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+K-2H"	36.948606
"945925"	167.056094	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-H+HCOOH"	44.998194
"363414"	289.114001	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+HCOOH-H"	44.998201
"346931"	303.129651	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+Hac-H"	59.013851
"1495034"	181.071751	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Hac-H"	59.013851
"960389"	189.038051	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-H+NaCOOH"	66.980151
"110426"	157.027302	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+2Cl"	69.938804
"551411"	218.056252	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+2Cl"	69.938804
"1030416"	95.998352	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2Cl"	69.938804
"1244525"	200.976785	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Br"	78.918885
"1308068"	203.032772	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Cl+HCOOH"	80.974872
"1327754"	225.014729	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Cl+NaCOOH"	102.956829
"923186"	235.043486	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M-H+CF3COOH"	112.985586
"1302082"	271.020164	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Cl+CF3COOH"	148.962264
"1376965"	87.045224	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H-2H2O"	-35.012676
"1392275"	105.0552	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H-H2O"	-17.0027
"295971"	245.123076	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+H"	1.007276
"690943"	367.180976	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+H"	1.007276
"1359638"	123.065176	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H"	1.007276
"136902"	123.065176	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+2H"	2.014552
"581081"	184.094126	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+2H"	2.014552
"1044168"	62.036226	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2H"	2.014552
"216078"	82.3792093333333	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+3H"	3.021828
"654909"	123.065176	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+3H"	3.021828
"1165017"	41.6932426666667	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+3H"	3.021828
"425736"	262.149623	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+NH4"	18.033823
"788923"	384.207523	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+NH4"	18.033823
"1683429"	140.091723	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+NH4"	18.033823
"330978"	131.5784495	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+H+NH4"	19.041099
"724493"	192.6073995	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+H+NH4"	19.041099
"1479408"	70.5494995	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H+NH4"	19.041099
"394807"	267.105018	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+Na"	22.989218
"765646"	389.162918	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+Na"	22.989218
"1608273"	145.047118	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Na"	22.989218
"318310"	134.056147	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+H+Na"	23.996494
"714014"	195.085097	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+H+Na"	23.996494
"1468927"	73.027197	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H+Na"	23.996494
"1061077"	49.0205566666667	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2H+Na"	25.00377
"1263852"	155.091386	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+CH3OH+H"	33.033486
"386801"	283.078958	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+K"	38.963158
"748891"	405.136858	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+K"	38.963158
"1551675"	161.021058	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+K"	38.963158
"302654"	142.043117	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+H+K"	39.970434
"698359"	203.072067	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+H+K"	39.970434
"1456554"	81.014167	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H+K"	39.970434
"237505"	286.149626	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+ACN+H"	42.033826
"1214584"	164.091726	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+ACN+H"	42.033826
"1194497"	82.549501	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+ACN+2H"	43.041102
"195722"	289.08696	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+2Na-H"	44.97116
"634552"	411.14486	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+2Na-H"	44.97116
"1142077"	167.02906	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2Na-H"	44.97116
"182087"	145.047118	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+2Na"	45.978436
"622741"	206.076068	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+2Na"	45.978436
"1124059"	84.018168	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2Na"	45.978436
"1406491"	56.3478706666667	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H+2Na"	46.985712
"1445048"	169.070646	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H+HCOOH"	47.012746
"230490"	150.08014	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+3H2O+2H"	56.04448
"1517457"	183.12269	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+IsoProp+H"	61.06479
"414954"	153.034088	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+Na+K"	61.952376
"781420"	214.063038	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+Na+K"	61.952376
"1672284"	92.005138	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Na+K"	61.952376
"256615"	308.131568	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+ACN+Na"	64.015768
"1231507"	186.073668	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+ACN+Na"	64.015768
"1720401"	186.097193	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+NH4+HCOOH"	64.039293
"1182474"	63.6751846666667	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+3Na"	68.967654
"1656740"	191.052588	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Na+HCOOH"	68.994688
"159829"	321.03484	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+2K-H"	76.91904
"598909"	443.09274	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+2K-H"	76.91904
"1085488"	198.97694	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2K-H"	76.91904
"141610"	161.021058	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"2M+2K"	77.926316
"588428"	222.050008	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"3M+2K"	77.926316
"1070752"	99.992108	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2K"	77.926316
"1105058"	200.991492	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2K+H"	78.933592
"1337308"	201.079107	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+DMSO+H"	79.021207
"1009605"	205.118276	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2ACN+H"	83.060376
"1536854"	206.111908	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+IsoProp+Na+H"	84.054008
"997836"	103.062776	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+2ACN+2H"	84.067652
"1599994"	207.026528	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+K+HCOOH"	84.968628
"1426748"	237.058038	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+H+CF3COOH"	115.000138
"1158128"	123.576051	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+3ACN+2H"	125.094202
"1708773"	254.084585	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+NH4+CF3COOH"	132.026685
"1644425"	259.03998	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+Na+CF3COOH"	136.98208
"1578984"	275.01392	"C16884"	"D-Threitol"	"C4H10O4"	"122.0579"	"M+K+CF3COOH"	152.95602
"806072"	1056.6385	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M"	0
"986165"	1037.62011	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-H2O-H"	-19.01839
"72224"	703.418390666667	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M-3H"	-3.021828
"504249"	1055.631224	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M-3H"	-3.021828
"881930"	351.205557333333	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-3H"	-3.021828
"2692"	1055.631224	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M-2H"	-2.014552
"447719"	1583.950474	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M-2H"	-2.014552
"821148"	527.311974	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-2H"	-2.014552
"83329"	2112.269724	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M-H"	-1.007276
"528361"	3168.908224	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M-H"	-1.007276
"902881"	1055.631224	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-H"	-1.007276
"52881"	2129.296271	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M-2H+NH4"	16.019271
"492439"	3185.934771	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M-2H+NH4"	16.019271
"866963"	1072.657771	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-2H+NH4"	16.019271
"42518"	2134.251666	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M-2H+Na"	20.974666
"476611"	3190.890166	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M-2H+Na"	20.974666
"854411"	1077.613166	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-2H+Na"	20.974666
"1621755"	1077.613166	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Na-2H"	20.974666
"95371"	1073.619563	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M-H+Cl"	33.962126
"534929"	1601.938813	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M-H+Cl"	33.962126
"927352"	545.300313	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-H+Cl"	33.962126
"267854"	2148.246402	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+Cl"	34.969402
"660394"	3204.884902	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+Cl"	34.969402
"1273408"	1091.607902	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Cl"	34.969402
"17304"	2150.225606	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M-2H+K"	36.948606
"457952"	3206.864106	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M-2H+K"	36.948606
"835756"	1093.587106	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-2H+K"	36.948606
"1560337"	1093.587106	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+K-2H"	36.948606
"944942"	1101.636694	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-H+HCOOH"	44.998194
"362430"	2158.275201	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+HCOOH-H"	44.998201
"347041"	2172.290851	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+Hac-H"	59.013851
"1494051"	1115.652351	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Hac-H"	59.013851
"959039"	1123.618651	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-H+NaCOOH"	66.980151
"113782"	1091.607902	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+2Cl"	69.938804
"552978"	1619.927152	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+2Cl"	69.938804
"1024330"	563.288652	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2Cl"	69.938804
"1244638"	1135.557385	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Br"	78.918885
"1314739"	1137.613372	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Cl+HCOOH"	80.974872
"1331142"	1159.595329	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Cl+NaCOOH"	102.956829
"916735"	1169.624086	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M-H+CF3COOH"	112.985586
"1297818"	1205.600764	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Cl+CF3COOH"	148.962264
"1373795"	1021.625824	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H-2H2O"	-35.012676
"1395665"	1039.6358	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H-H2O"	-17.0027
"297539"	2114.284276	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+H"	1.007276
"688137"	3170.922776	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+H"	1.007276
"1358655"	1057.645776	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H"	1.007276
"135919"	1057.645776	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+2H"	2.014552
"580341"	1585.965026	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+2H"	2.014552
"1048289"	529.326526	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2H"	2.014552
"215824"	705.432942666667	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+3H"	3.021828
"655020"	1057.645776	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+3H"	3.021828
"1166950"	353.220109333333	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+3H"	3.021828
"426940"	2131.310823	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+NH4"	18.033823
"787939"	3187.949323	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+NH4"	18.033823
"1684998"	1074.672323	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+NH4"	18.033823
"333273"	1066.1590495	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+H+NH4"	19.041099
"725330"	1594.4782995	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+H+NH4"	19.041099
"1478425"	537.8397995	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H+NH4"	19.041099
"396010"	2136.266218	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+Na"	22.989218
"765755"	3192.904718	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+Na"	22.989218
"1608384"	1079.627718	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Na"	22.989218
"319515"	1068.636747	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+H+Na"	23.996494
"711937"	1596.955997	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+H+Na"	23.996494
"1467943"	540.317497	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H+Na"	23.996494
"1056814"	360.547423333333	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2H+Na"	25.00377
"1262869"	1089.671986	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+CH3OH+H"	33.033486
"388733"	2152.240158	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+K"	38.963158
"745720"	3208.878658	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+K"	38.963158
"1547776"	1095.601658	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+K"	38.963158
"303858"	1076.623717	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+H+K"	39.970434
"698469"	1604.942967	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+H+K"	39.970434
"1456664"	548.304467	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H+K"	39.970434
"243080"	2155.310826	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+ACN+H"	42.033826
"1219068"	1098.672326	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+ACN+H"	42.033826
"1197484"	549.839801	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+ACN+2H"	43.041102
"191087"	2158.24816	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+2Na-H"	44.97116
"634298"	3214.88666	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+2Na-H"	44.97116
"1139999"	1101.60966	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2Na-H"	44.97116
"178914"	1079.627718	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+2Na"	45.978436
"619568"	1607.946968	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+2Na"	45.978436
"1123805"	551.308468	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2Na"	45.978436
"1408060"	367.874737333333	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H+2Na"	46.985712
"1441634"	1103.651246	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H+HCOOH"	47.012746
"228413"	1084.66074	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+3H2O+2H"	56.04448
"1515379"	1117.70329	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+IsoProp+H"	61.06479
"415064"	1087.614688	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+Na+K"	61.952376
"779345"	1615.933938	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+Na+K"	61.952376
"1676041"	559.295438	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Na+K"	61.952376
"260005"	2177.292768	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+ACN+Na"	64.015768
"1233806"	1120.654268	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+ACN+Na"	64.015768
"1718323"	1120.677793	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+NH4+HCOOH"	64.039293
"1182584"	375.202051333333	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+3Na"	68.967654
"1655023"	1125.633188	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Na+HCOOH"	68.994688
"159335"	2190.19604	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+2K-H"	76.91904
"598042"	3246.83454	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+2K-H"	76.91904
"1084989"	1133.55754	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2K-H"	76.91904
"142291"	1095.601658	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"2M+2K"	77.926316
"589631"	1623.920908	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"3M+2K"	77.926316
"1070132"	567.282408	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2K"	77.926316
"1106261"	1135.572092	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2K+H"	78.933592
"1337176"	1135.659707	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+DMSO+H"	79.021207
"1009351"	1139.698876	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2ACN+H"	83.060376
"1536964"	1140.692508	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+IsoProp+Na+H"	84.054008
"997946"	570.353076	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+2ACN+2H"	84.067652
"1599010"	1141.607128	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+K+HCOOH"	84.968628
"1425765"	1171.638638	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+H+CF3COOH"	115.000138
"1152771"	590.866351	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+3ACN+2H"	125.094202
"1703416"	1188.665185	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+NH4+CF3COOH"	132.026685
"1641255"	1193.62058	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+Na+CF3COOH"	136.98208
"1579094"	1209.59452	"C16885"	"Gambieric acid A"	"C59H92O16"	"1056.6385"	"M+K+CF3COOH"	152.95602
"806182"	1070.6542	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M"	0
"984818"	1051.63581	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-H2O-H"	-19.01839
"72334"	712.762190666667	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M-3H"	-3.021828
"504966"	1069.646924	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M-3H"	-3.021828
"882040"	355.877457333333	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-3H"	-3.021828
"6082"	1069.646924	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M-2H"	-2.014552
"446736"	1604.974024	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M-2H"	-2.014552
"819191"	534.319824	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-2H"	-2.014552
"83439"	2140.301124	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M-H"	-1.007276
"530537"	3210.955324	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M-H"	-1.007276
"900804"	1069.646924	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-H"	-1.007276
"55178"	2157.327671	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M-2H+NH4"	16.019271
"490725"	3227.981871	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M-2H+NH4"	16.019271
"870353"	1086.673471	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-2H+NH4"	16.019271
"39346"	2162.283066	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M-2H+Na"	20.974666
"480000"	3232.937266	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M-2H+Na"	20.974666
"851239"	1091.628866	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-2H+Na"	20.974666
"1621865"	1091.628866	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Na-2H"	20.974666
"97302"	1087.635263	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M-H+Cl"	33.962126
"534917"	1622.962363	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M-H+Cl"	33.962126
"928191"	552.308163	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-H+Cl"	33.962126
"268936"	2176.277802	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+Cl"	34.969402
"660140"	3246.932002	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+Cl"	34.969402
"1273883"	1105.623602	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Cl"	34.969402
"15948"	2178.257006	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M-2H+K"	36.948606
"456968"	3248.911206	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M-2H+K"	36.948606
"835866"	1107.602806	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-2H+K"	36.948606
"1560447"	1107.602806	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+K-2H"	36.948606
"947237"	1115.652394	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-H+HCOOH"	44.998194
"363266"	2186.306601	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+HCOOH-H"	44.998201
"349334"	2200.322251	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+Hac-H"	59.013851
"1493064"	1129.668051	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Hac-H"	59.013851
"959068"	1137.634351	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-H+NaCOOH"	66.980151
"110202"	1105.623602	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+2Cl"	69.938804
"553451"	1640.950702	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+2Cl"	69.938804
"1022615"	570.296502	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2Cl"	69.938804
"1242559"	1149.573085	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Br"	78.918885
"1308289"	1151.629072	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Cl+HCOOH"	80.974872
"1327972"	1173.611029	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Cl+NaCOOH"	102.956829
"911898"	1183.639786	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M-H+CF3COOH"	112.985586
"1297927"	1219.616464	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Cl+CF3COOH"	148.962264
"1377185"	1035.641524	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H-2H2O"	-35.012676
"1389215"	1053.6515	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H-H2O"	-17.0027
"292181"	2142.315676	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+H"	1.007276
"685695"	3212.969876	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+H"	1.007276
"1354391"	1071.661476	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H"	1.007276
"133842"	1071.661476	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+2H"	2.014552
"575589"	1606.988576	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+2H"	2.014552
"1042202"	536.334376	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2H"	2.014552
"215934"	714.776742666667	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+3H"	3.021828
"650755"	1071.661476	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+3H"	3.021828
"1165602"	357.892009333333	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+3H"	3.021828
"427051"	2159.342223	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+NH4"	18.033823
"787682"	3229.996423	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+NH4"	18.033823
"1682429"	1088.688023	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+NH4"	18.033823
"331316"	1080.1747495	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+H+NH4"	19.041099
"723617"	1615.5018495	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+H+NH4"	19.041099
"1479260"	544.8476495	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H+NH4"	19.041099
"393448"	2164.297618	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+Na"	22.989218
"756021"	3234.951818	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+Na"	22.989218
"1605213"	1093.643418	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Na"	22.989218
"315613"	1082.652447	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+H+Na"	23.996494
"709858"	1617.979547	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+H+Na"	23.996494
"1465866"	547.325347	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H+Na"	23.996494
"1054735"	365.219323333333	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2H+Na"	25.00377
"1260789"	1103.687686	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+CH3OH+H"	33.033486
"379366"	2180.271558	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+K"	38.963158
"744736"	3250.925758	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+K"	38.963158
"1551164"	1109.617358	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+K"	38.963158
"301782"	1090.639417	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+H+K"	39.970434
"693836"	1625.966517	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+H+K"	39.970434
"1458962"	555.312317	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H+K"	39.970434
"245377"	2183.342226	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+ACN+H"	42.033826
"1222462"	1112.688026	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+ACN+H"	42.033826
"1198688"	556.847651	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+ACN+2H"	43.041102
"191562"	2186.27956	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+2Na-H"	44.97116
"631492"	3256.93376	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+2Na-H"	44.97116
"1137922"	1115.62536	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2Na-H"	44.97116
"179024"	1093.643418	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+2Na"	45.978436
"617491"	1628.970518	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+2Na"	45.978436
"1124280"	558.316318	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2Na"	45.978436
"1408170"	372.546637333333	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H+2Na"	46.985712
"1437004"	1117.666946	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H+HCOOH"	47.012746
"227430"	1098.67644	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+3H2O+2H"	56.04448
"1515489"	1131.71899	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+IsoProp+H"	61.06479
"411894"	1101.630388	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+Na+K"	61.952376
"779090"	1636.957488	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+Na+K"	61.952376
"1675418"	566.303288	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Na+K"	61.952376
"260115"	2205.324168	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+ACN+Na"	64.015768
"1231730"	1134.669968	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+ACN+Na"	64.015768
"1717340"	1134.693493	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+NH4+HCOOH"	64.039293
"1182690"	379.873951333333	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+3Na"	68.967654
"1654769"	1139.648888	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Na+HCOOH"	68.994688
"159443"	2218.22744	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+2K-H"	76.91904
"597905"	3288.88164	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+2K-H"	76.91904
"1085098"	1147.57324	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2K-H"	76.91904
"145801"	1109.617358	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"2M+2K"	77.926316
"583178"	1644.944458	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"3M+2K"	77.926316
"1070361"	574.290258	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2K"	77.926316
"1106371"	1149.587792	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2K+H"	78.933592
"1338744"	1149.675407	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+DMSO+H"	79.021207
"1011283"	1153.714576	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2ACN+H"	83.060376
"1537074"	1154.708208	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+IsoProp+Na+H"	84.054008
"1001336"	577.360926	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+2ACN+2H"	84.067652
"1599120"	1155.622828	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+K+HCOOH"	84.968628
"1426968"	1185.654338	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+H+CF3COOH"	115.000138
"1152881"	597.874201	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+3ACN+2H"	125.094202
"1703526"	1202.680885	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+NH4+CF3COOH"	132.026685
"1644645"	1207.63628	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+Na+CF3COOH"	136.98208
"1582484"	1223.61022	"C16886"	"Gambieric acid B"	"C60H94O16"	"1070.6542"	"M+K+CF3COOH"	152.95602
"809572"	1184.6859	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M"	0
"985292"	1165.66751	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-H2O-H"	-19.01839
"73537"	788.783324	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M-3H"	-3.021828
"508722"	1183.678624	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M-3H"	-3.021828
"882150"	393.888024	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-3H"	-3.021828
"5099"	1183.678624	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M-2H"	-2.014552
"446846"	1776.021574	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M-2H"	-2.014552
"819180"	591.335674	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-2H"	-2.014552
"84642"	2368.364524	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M-H"	-1.007276
"531741"	3553.050424	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M-H"	-1.007276
"904194"	1183.678624	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-H"	-1.007276
"56381"	2385.391071	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M-2H+NH4"	16.019271
"490471"	3570.076971	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M-2H+NH4"	16.019271
"871556"	1200.705171	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-2H+NH4"	16.019271
"38362"	2390.346466	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M-2H+Na"	20.974666
"480110"	3575.032366	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M-2H+Na"	20.974666
"852444"	1205.660566	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-2H+Na"	20.974666
"1622703"	1205.660566	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Na-2H"	20.974666
"98506"	1201.666963	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M-H+Cl"	33.962126
"538429"	1794.009913	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M-H+Cl"	33.962126
"930488"	609.324013	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-H+Cl"	33.962126
"273421"	2404.341202	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+Cl"	34.969402
"664750"	3589.027102	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+Cl"	34.969402
"1280433"	1219.655302	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Cl"	34.969402
"20804"	2406.320406	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M-2H+K"	36.948606
"456470"	3591.006306	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M-2H+K"	36.948606
"838162"	1221.634506	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-2H+K"	36.948606
"1560557"	1221.634506	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+K-2H"	36.948606
"947346"	1229.684094	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-H+HCOOH"	44.998194
"364831"	2414.370001	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+HCOOH-H"	44.998201
"347625"	2428.385651	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+Hac-H"	59.013851
"1492945"	1243.699751	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Hac-H"	59.013851
"959502"	1251.666051	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-H+NaCOOH"	66.980151
"110149"	1219.655302	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+2Cl"	69.938804
"554290"	1811.998252	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+2Cl"	69.938804
"1024546"	627.312352	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2Cl"	69.938804
"1244857"	1263.604785	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Br"	78.918885
"1309491"	1265.660772	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Cl+HCOOH"	80.974872
"1328082"	1287.642729	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Cl+NaCOOH"	102.956829
"911851"	1297.671486	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M-H+CF3COOH"	112.985586
"1292572"	1333.648164	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Cl+CF3COOH"	148.962264
"1377295"	1149.673224	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H-2H2O"	-35.012676
"1391511"	1167.6832	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H-H2O"	-17.0027
"292291"	2370.379076	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+H"	1.007276
"682525"	3555.064976	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+H"	1.007276
"1354865"	1185.693176	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H"	1.007276
"135045"	1185.693176	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+2H"	2.014552
"575699"	1778.036126	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+2H"	2.014552
"1043405"	593.350226	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2H"	2.014552
"214587"	790.797876	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+3H"	3.021828
"653052"	1185.693176	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+3H"	3.021828
"1167532"	395.902576	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+3H"	3.021828
"428617"	2387.405623	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+NH4"	18.033823
"789250"	3572.091523	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+NH4"	18.033823
"1683756"	1202.719723	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+NH4"	18.033823
"331670"	1194.2064495	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+H+NH4"	19.041099
"723727"	1786.5493995	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+H+NH4"	19.041099
"1479011"	601.8634995	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H+NH4"	19.041099
"394410"	2392.361018	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+Na"	22.989218
"757222"	3577.046918	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+Na"	22.989218
"1605322"	1207.675118	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Na"	22.989218
"317546"	1196.684147	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+H+Na"	23.996494
"709967"	1789.027097	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+H+Na"	23.996494
"1467068"	604.341197	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H+Na"	23.996494
"1057031"	403.22989	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2H+Na"	25.00377
"1258714"	1217.719386	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+CH3OH+H"	33.033486
"379476"	2408.334958	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+K"	38.963158
"744846"	3593.020858	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+K"	38.963158
"1549087"	1223.649058	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+K"	38.963158
"305172"	1204.671117	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+H+K"	39.970434
"697592"	1797.014067	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+H+K"	39.970434
"1459800"	612.328167	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H+K"	39.970434
"244393"	2411.405626	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+ACN+H"	42.033826
"1222570"	1226.719726	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+ACN+H"	42.033826
"1200985"	613.863501	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+ACN+2H"	43.041102
"191672"	2414.34296	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+2Na-H"	44.97116
"634152"	3599.02886	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+2Na-H"	44.97116
"1143494"	1229.65706	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2Na-H"	44.97116
"178041"	1207.675118	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+2Na"	45.978436
"617601"	1800.018068	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+2Na"	45.978436
"1122203"	615.332168	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2Na"	45.978436
"1402447"	410.557204	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H+2Na"	46.985712
"1431642"	1231.698646	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H+HCOOH"	47.012746
"221699"	1212.70814	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+3H2O+2H"	56.04448
"1514506"	1245.75069	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+IsoProp+H"	61.06479
"412368"	1215.662088	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+Na+K"	61.952376
"778472"	1808.005038	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+Na+K"	61.952376
"1674435"	623.319138	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Na+K"	61.952376
"259132"	2433.387568	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+ACN+Na"	64.015768
"1230747"	1248.701668	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+ACN+Na"	64.015768
"1714532"	1248.725193	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+NH4+HCOOH"	64.039293
"1180614"	417.884518	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+3Na"	68.967654
"1652693"	1253.680588	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Na+HCOOH"	68.994688
"158824"	2446.29084	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+2K-H"	76.91904
"598504"	3630.97674	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+2K-H"	76.91904
"1086908"	1261.60494	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2K-H"	76.91904
"142100"	1223.649058	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"2M+2K"	77.926316
"584381"	1815.992008	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"3M+2K"	77.926316
"1071083"	631.306108	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2K"	77.926316
"1106481"	1263.619492	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2K+H"	78.933592
"1339583"	1263.707107	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+DMSO+H"	79.021207
"1011394"	1267.746276	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2ACN+H"	83.060376
"1536092"	1268.739908	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+IsoProp+Na+H"	84.054008
"1000353"	634.376776	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+2ACN+2H"	84.067652
"1600322"	1269.654528	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+K+HCOOH"	84.968628
"1423796"	1299.686038	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+H+CF3COOH"	115.000138
"1158458"	654.890051	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+3ACN+2H"	125.094202
"1712262"	1316.712585	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+NH4+CF3COOH"	132.026685
"1641475"	1321.66798	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+Na+CF3COOH"	136.98208
"1582594"	1337.64192	"C16887"	"Gambieric acid C"	"C65H100O19"	"1184.6859"	"M+K+CF3COOH"	152.95602
"815149"	1198.7015	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M"	0
"986495"	1179.68311	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-H2O-H"	-19.01839
"74740"	798.127057333333	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M-3H"	-3.021828
"511019"	1197.694224	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M-3H"	-3.021828
"888821"	398.559890666667	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-3H"	-3.021828
"11769"	1197.694224	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M-2H"	-2.014552
"448049"	1797.044974	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M-2H"	-2.014552
"821478"	598.343474	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-2H"	-2.014552
"90219"	2396.395724	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M-H"	-1.007276
"533673"	3595.097224	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M-H"	-1.007276
"904304"	1197.694224	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-H"	-1.007276
"57584"	2413.422271	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M-2H+NH4"	16.019271
"494956"	3612.123771	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M-2H+NH4"	16.019271
"871666"	1214.720771	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-2H+NH4"	16.019271
"42847"	2418.377666	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M-2H+Na"	20.974666
"476940"	3617.079166	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M-2H+Na"	20.974666
"852554"	1219.676166	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-2H+Na"	20.974666
"1623179"	1219.676166	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Na-2H"	20.974666
"99708"	1215.682563	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M-H+Cl"	33.962126
"537083"	1815.033313	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M-H+Cl"	33.962126
"934972"	616.331813	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-H+Cl"	33.962126
"276812"	2432.372402	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+Cl"	34.969402
"663766"	3631.073902	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+Cl"	34.969402
"1282730"	1233.670902	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Cl"	34.969402
"20911"	2434.351606	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M-2H+K"	36.948606
"456337"	3633.053106	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M-2H+K"	36.948606
"837179"	1235.650106	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-2H+K"	36.948606
"1557751"	1235.650106	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+K-2H"	36.948606
"947457"	1243.699694	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-H+HCOOH"	44.998194
"364578"	2442.401201	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+HCOOH-H"	44.998201
"347371"	2456.416851	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+Hac-H"	59.013851
"1493002"	1257.715351	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Hac-H"	59.013851
"961193"	1265.681651	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-H+NaCOOH"	66.980151
"110079"	1233.670902	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+2Cl"	69.938804
"554400"	1833.021652	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+2Cl"	69.938804
"1021982"	634.320152	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2Cl"	69.938804
"1242779"	1277.620385	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Br"	78.918885
"1309601"	1279.676372	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Cl+HCOOH"	80.974872
"1328192"	1301.658329	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Cl+NaCOOH"	102.956829
"911597"	1311.687086	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M-H+CF3COOH"	112.985586
"1290859"	1347.663764	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Cl+CF3COOH"	148.962264
"1374125"	1163.688824	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H-2H2O"	-35.012676
"1390527"	1181.6988	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H-H2O"	-17.0027
"283205"	2398.410276	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+H"	1.007276
"679354"	3597.111776	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+H"	1.007276
"1354611"	1199.708776	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H"	1.007276
"131875"	1199.708776	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+2H"	2.014552
"575809"	1799.059526	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+2H"	2.014552
"1040963"	600.358026	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2H"	2.014552
"213601"	800.141609333333	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+3H"	3.021828
"652069"	1199.708776	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+3H"	3.021828
"1165818"	400.574442666667	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+3H"	3.021828
"429092"	2415.436823	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+NH4"	18.033823
"789358"	3614.138323	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+NH4"	18.033823
"1682044"	1216.735323	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+NH4"	18.033823
"330442"	1208.2220495	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+H+NH4"	19.041099
"723836"	1807.5727995	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+H+NH4"	19.041099
"1478752"	608.8712995	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H+NH4"	19.041099
"392939"	2420.392218	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+Na"	22.989218
"756965"	3619.093718	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+Na"	22.989218
"1604334"	1221.690718	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Na"	22.989218
"314739"	1210.699747	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+H+Na"	23.996494
"710079"	1810.050497	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+H+Na"	23.996494
"1463899"	611.348997	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H+Na"	23.996494
"1056049"	407.901756666667	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2H+Na"	25.00377
"1258337"	1231.734986	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+CH3OH+H"	33.033486
"382866"	2436.366158	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+K"	38.963158
"743863"	3635.067658	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+K"	38.963158
"1545917"	1237.664658	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+K"	38.963158
"301272"	1218.686717	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+H+K"	39.970434
"694422"	1818.037467	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+H+K"	39.970434
"1455901"	619.335967	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H+K"	39.970434
"242317"	2439.436826	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+ACN+H"	42.033826
"1220493"	1240.735326	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+ACN+H"	42.033826
"1197447"	620.871301	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+ACN+2H"	43.041102
"192869"	2442.37416	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+2Na-H"	44.97116
"632436"	3641.07566	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+2Na-H"	44.97116
"1143240"	1243.67266	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2Na-H"	44.97116
"176688"	1221.690718	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+2Na"	45.978436
"616983"	1821.041468	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+2Na"	45.978436
"1122313"	622.339968	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2Na"	45.978436
"1403649"	415.229070666667	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H+2Na"	46.985712
"1430534"	1245.714246	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H+HCOOH"	47.012746
"221322"	1226.72374	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+3H2O+2H"	56.04448
"1514616"	1259.76629	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+IsoProp+H"	61.06479
"410656"	1229.677688	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+Na+K"	61.952376
"779674"	1829.028438	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+Na+K"	61.952376
"1673816"	630.326938	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Na+K"	61.952376
"258149"	2461.418768	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+ACN+Na"	64.015768
"1230857"	1262.717268	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+ACN+Na"	64.015768
"1715371"	1262.740793	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+NH4+HCOOH"	64.039293
"1182913"	422.556384666667	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+3Na"	68.967654
"1652317"	1267.696188	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Na+HCOOH"	68.994688
"160028"	2474.32204	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+2K-H"	76.91904
"598250"	3673.02354	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+2K-H"	76.91904
"1086288"	1275.62054	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2K-H"	76.91904
"142130"	1237.664658	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"2M+2K"	77.926316
"583398"	1837.015408	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"3M+2K"	77.926316
"1073382"	638.313908	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2K"	77.926316
"1104039"	1277.635092	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2K+H"	78.933592
"1341879"	1277.722707	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+DMSO+H"	79.021207
"1008954"	1281.761876	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2ACN+H"	83.060376
"1537295"	1282.755508	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+IsoProp+Na+H"	84.054008
"1000463"	641.384576	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+2ACN+2H"	84.067652
"1598245"	1283.670128	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+K+HCOOH"	84.968628
"1424998"	1313.701638	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+H+CF3COOH"	115.000138
"1157475"	661.897851	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+3ACN+2H"	125.094202
"1710307"	1330.728185	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+NH4+CF3COOH"	132.026685
"1641585"	1335.68358	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+Na+CF3COOH"	136.98208
"1582704"	1351.65752	"C16888"	"Gambieric acid D"	"C66H102O19"	"1198.7015"	"M+K+CF3COOH"	152.95602
"809791"	435.3115	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M"	0
"983324"	416.29311	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-H2O-H"	-19.01839
"74850"	289.200390666667	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M-3H"	-3.021828
"510036"	434.304224	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M-3H"	-3.021828
"887838"	144.096557333333	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-3H"	-3.021828
"10786"	434.304224	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M-2H"	-2.014552
"448159"	651.959974	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M-2H"	-2.014552
"821588"	216.648474	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-2H"	-2.014552
"89236"	869.615724	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M-H"	-1.007276
"531353"	1304.927224	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M-H"	-1.007276
"904414"	434.304224	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-H"	-1.007276
"57694"	886.642271	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M-2H+NH4"	16.019271
"493973"	1321.953771	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M-2H+NH4"	16.019271
"872869"	451.330771	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-2H+NH4"	16.019271
"40770"	891.597666	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M-2H+Na"	20.974666
"477050"	1326.909166	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M-2H+Na"	20.974666
"853028"	456.286166	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-2H+Na"	20.974666
"1624383"	456.286166	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Na-2H"	20.974666
"97266"	452.292563	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M-H+Cl"	33.962126
"536098"	669.948313	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M-H+Cl"	33.962126
"933989"	234.636813	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-H+Cl"	33.962126
"270362"	905.592402	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+Cl"	34.969402
"661689"	1340.903902	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+Cl"	34.969402
"1282839"	470.280902	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Cl"	34.969402
"25397"	907.571606	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M-2H+K"	36.948606
"459487"	1342.883106	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M-2H+K"	36.948606
"839477"	472.260106	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-2H+K"	36.948606
"1557861"	472.260106	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+K-2H"	36.948606
"946473"	480.309694	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-H+HCOOH"	44.998194
"362135"	915.621201	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+HCOOH-H"	44.998201
"345826"	929.636851	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+Hac-H"	59.013851
"1493154"	494.325351	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Hac-H"	59.013851
"958828"	502.291651	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-H+NaCOOH"	66.980151
"110367"	470.280902	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+2Cl"	69.938804
"553780"	687.936652	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+2Cl"	69.938804
"1024767"	252.625152	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2Cl"	69.938804
"1243982"	514.230385	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Br"	78.918885
"1305703"	516.286372	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Cl+HCOOH"	80.974872
"1328303"	538.268329	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Cl+NaCOOH"	102.956829
"912071"	548.297086	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M-H+CF3COOH"	112.985586
"1291698"	584.273764	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Cl+CF3COOH"	148.962264
"1367428"	400.298824	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H-2H2O"	-35.012676
"1387721"	418.3088	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H-H2O"	-17.0027
"284855"	871.630276	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+H"	1.007276
"679464"	1306.941776	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+H"	1.007276
"1354721"	436.318776	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H"	1.007276
"129798"	436.318776	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+2H"	2.014552
"574826"	653.974526	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+2H"	2.014552
"1041073"	218.663026	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2H"	2.014552
"210431"	291.214942666667	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+3H"	3.021828
"651086"	436.318776	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+3H"	3.021828
"1164834"	146.111109333333	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+3H"	3.021828
"429203"	888.656823	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+NH4"	18.033823
"790925"	1323.968323	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+NH4"	18.033823
"1682155"	453.345323	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+NH4"	18.033823
"330434"	444.8320495	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+H+NH4"	19.041099
"724677"	662.4877995	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+H+NH4"	19.041099
"1478134"	227.1762995	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H+NH4"	19.041099
"393168"	893.612218	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+Na"	22.989218
"756349"	1328.923718	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+Na"	22.989218
"1605174"	458.300718	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Na"	22.989218
"315942"	447.309747	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+H+Na"	23.996494
"712376"	664.965497	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+H+Na"	23.996494
"1464009"	229.653997	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H+Na"	23.996494
"1053974"	153.438423333333	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2H+Na"	25.00377
"1257841"	468.344986	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+CH3OH+H"	33.033486
"382976"	909.586158	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+K"	38.963158
"739599"	1344.897658	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+K"	38.963158
"1546027"	474.274658	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+K"	38.963158
"302111"	455.296717	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+H+K"	39.970434
"693439"	672.952467	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+H+K"	39.970434
"1449444"	237.640967	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H+K"	39.970434
"243520"	912.656826	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+ACN+H"	42.033826
"1220602"	477.345326	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+ACN+H"	42.033826
"1197558"	239.176301	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+ACN+2H"	43.041102
"194074"	915.59416	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+2Na-H"	44.97116
"632546"	1350.90566	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+2Na-H"	44.97116
"1139339"	480.28266	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2Na-H"	44.97116
"177160"	458.300718	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+2Na"	45.978436
"617822"	675.956468	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+2Na"	45.978436
"1122423"	240.644968	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2Na"	45.978436
"1403759"	160.765737333333	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H+2Na"	46.985712
"1430402"	482.324246	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H+HCOOH"	47.012746
"221189"	463.33374	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+3H2O+2H"	56.04448
"1514726"	496.37629	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+IsoProp+H"	61.06479
"409673"	466.287688	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+Na+K"	61.952376
"775411"	683.943438	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+Na+K"	61.952376
"1671739"	248.631938	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Na+K"	61.952376
"258259"	934.638768	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+ACN+Na"	64.015768
"1231331"	499.327268	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+ACN+Na"	64.015768
"1716577"	499.350793	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+NH4+HCOOH"	64.039293
"1182296"	168.093051333333	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+3Na"	68.967654
"1654374"	504.306188	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Na+HCOOH"	68.994688
"157952"	947.54204	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+2K-H"	76.91904
"597633"	1382.85354	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+2K-H"	76.91904
"1086398"	512.23054	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2K-H"	76.91904
"141707"	474.274658	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"2M+2K"	77.926316
"582778"	691.930408	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"3M+2K"	77.926316
"1074585"	256.618908	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2K"	77.926316
"1105611"	514.245092	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2K+H"	78.933592
"1339078"	514.332707	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+DMSO+H"	79.021207
"1011616"	518.371876	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2ACN+H"	83.060376
"1537406"	519.365508	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+IsoProp+Na+H"	84.054008
"1002760"	259.689576	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+2ACN+2H"	84.067652
"1599450"	520.280128	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+K+HCOOH"	84.968628
"1421828"	550.311638	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+H+CF3COOH"	115.000138
"1157585"	280.202851	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+3ACN+2H"	125.094202
"1703855"	567.338185	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+NH4+CF3COOH"	132.026685
"1637320"	572.29358	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+Na+CF3COOH"	136.98208
"1582814"	588.26752	"C16889"	"Pahutoxin"	"C23H46NO4Cl"	"435.3115"	"M+K+CF3COOH"	152.95602
"809901"	452.3502	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M"	0
"983434"	433.33181	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-H2O-H"	-19.01839
"74960"	300.559524	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M-3H"	-3.021828
"509053"	451.342924	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M-3H"	-3.021828
"886855"	149.776124	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-3H"	-3.021828
"9803"	451.342924	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M-2H"	-2.014552
"448269"	677.518024	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M-2H"	-2.014552
"820605"	225.167824	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-2H"	-2.014552
"86066"	903.693124	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M-H"	-1.007276
"531098"	1356.043324	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M-H"	-1.007276
"904524"	451.342924	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-H"	-1.007276
"53431"	920.719671	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M-2H+NH4"	16.019271
"491896"	1373.069871	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M-2H+NH4"	16.019271
"868606"	468.369471	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-2H+NH4"	16.019271
"37600"	925.675066	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M-2H+Na"	20.974666
"477160"	1378.025266	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M-2H+Na"	20.974666
"850586"	473.324866	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-2H+Na"	20.974666
"1622307"	473.324866	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Na-2H"	20.974666
"94540"	469.331263	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M-H+Cl"	33.962126
"536207"	695.506363	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M-H+Cl"	33.962126
"933006"	243.156163	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-H+Cl"	33.962126
"273752"	939.669802	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+Cl"	34.969402
"667267"	1392.020002	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+Cl"	34.969402
"1279670"	487.319602	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Cl"	34.969402
"25506"	941.649006	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M-2H+K"	36.948606
"460691"	1393.999206	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M-2H+K"	36.948606
"840681"	489.298806	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-2H+K"	36.948606
"1561981"	489.298806	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+K-2H"	36.948606
"946948"	497.348394	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-H+HCOOH"	44.998194
"362975"	949.698601	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+HCOOH-H"	44.998201
"347956"	963.714251	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+Hac-H"	59.013851
"1493506"	511.364051	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Hac-H"	59.013851
"960685"	519.330351	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-H+NaCOOH"	66.980151
"112143"	487.319602	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+2Cl"	69.938804
"556808"	713.494702	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+2Cl"	69.938804
"1024515"	261.144502	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2Cl"	69.938804
"1251747"	531.269085	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Br"	78.918885
"1305085"	533.325072	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Cl+HCOOH"	80.974872
"1325133"	555.307029	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Cl+NaCOOH"	102.956829
"916193"	565.335786	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M-H+CF3COOH"	112.985586
"1291080"	601.312464	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Cl+CF3COOH"	148.962264
"1371064"	417.337524	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H-2H2O"	-35.012676
"1390747"	435.3475	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H-H2O"	-17.0027
"286059"	905.707676	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+H"	1.007276
"679574"	1358.057876	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+H"	1.007276
"1358112"	453.357476	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H"	1.007276
"135379"	453.357476	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+2H"	2.014552
"574939"	679.532576	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+2H"	2.014552
"1042642"	227.182376	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2H"	2.014552
"209082"	302.574076	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+3H"	3.021828
"652291"	453.357476	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+3H"	3.021828
"1167497"	151.790676	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+3H"	3.021828
"429316"	922.734223	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+NH4"	18.033823
"790670"	1375.084423	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+NH4"	18.033823
"1682994"	470.384023	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+NH4"	18.033823
"331637"	461.8707495	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+H+NH4"	19.041099
"724543"	688.0458495	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+H+NH4"	19.041099
"1478244"	235.6956495	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H+NH4"	19.041099
"393399"	927.689618	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+Na"	22.989218
"756460"	1380.039818	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+Na"	22.989218
"1605283"	475.339418	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Na"	22.989218
"315808"	464.348447	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+H+Na"	23.996494
"709205"	690.523547	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+H+Na"	23.996494
"1463753"	238.173347	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H+Na"	23.996494
"1053395"	159.11799	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2H+Na"	25.00377
"1259043"	485.383686	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+CH3OH+H"	33.033486
"383087"	943.663558	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+K"	38.963158
"744084"	1396.013758	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+K"	38.963158
"1545045"	491.313358	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+K"	38.963158
"302222"	472.335417	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+H+K"	39.970434
"695736"	698.510517	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+H+K"	39.970434
"1449557"	246.160317	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H+K"	39.970434
"245817"	946.734226	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+ACN+H"	42.033826
"1217431"	494.384026	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+ACN+H"	42.033826
"1197305"	247.695651	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+ACN+2H"	43.041102
"192000"	949.67156	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+2Na-H"	44.97116
"631561"	1402.02176	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+2Na-H"	44.97116
"1139449"	497.32136	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2Na-H"	44.97116
"175205"	475.339418	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+2Na"	45.978436
"617932"	701.514518	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+2Na"	45.978436
"1122533"	249.164318	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2Na"	45.978436
"1403869"	166.445304	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H+2Na"	46.985712
"1430756"	499.362946	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H+HCOOH"	47.012746
"221906"	480.37244	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+3H2O+2H"	56.04448
"1512650"	513.41499	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+IsoProp+H"	61.06479
"410148"	483.326388	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+Na+K"	61.952376
"776613"	709.501488	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+Na+K"	61.952376
"1668568"	257.151288	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Na+K"	61.952376
"255089"	968.716168	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+ACN+Na"	64.015768
"1230712"	516.365968	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+ACN+Na"	64.015768
"1716687"	516.389493	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+NH4+HCOOH"	64.039293
"1181677"	173.772618	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+3Na"	68.967654
"1651568"	521.344888	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Na+HCOOH"	68.994688
"157697"	981.61944	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+2K-H"	76.91904
"597743"	1433.96964	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+2K-H"	76.91904
"1085171"	529.26924	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2K-H"	76.91904
"141576"	491.313358	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"2M+2K"	77.926316
"582889"	717.488458	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"3M+2K"	77.926316
"1074695"	265.138258	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2K"	77.926316
"1105721"	531.283792	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2K+H"	78.933592
"1339188"	531.371407	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+DMSO+H"	79.021207
"1010633"	535.410576	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2ACN+H"	83.060376
"1537516"	536.404208	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+IsoProp+Na+H"	84.054008
"1000684"	268.208926	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+2ACN+2H"	84.067652
"1599560"	537.318828	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+K+HCOOH"	84.968628
"1421938"	567.350338	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+H+CF3COOH"	115.000138
"1157695"	288.722201	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+3ACN+2H"	125.094202
"1710527"	584.376885	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+NH4+CF3COOH"	132.026685
"1636337"	589.33228	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+Na+CF3COOH"	136.98208
"1582924"	605.30622	"C16890"	"5alpha-Cyprinol"	"C27H48O5"	"452.3502"	"M+K+CF3COOH"	152.95602
"813292"	456.324	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M"	0
"983544"	437.30561	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-H2O-H"	-19.01839
"75070"	303.208724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M-3H"	-3.021828
"509163"	455.316724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M-3H"	-3.021828
"886965"	151.100724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-3H"	-3.021828
"9912"	455.316724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M-2H"	-2.014552
"445099"	683.478724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M-2H"	-2.014552
"820715"	227.154724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-2H"	-2.014552
"90549"	911.640724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M-H"	-1.007276
"529387"	1367.964724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M-H"	-1.007276
"904634"	455.316724	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-H"	-1.007276
"59374"	928.667271	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M-2H+NH4"	16.019271
"495287"	1384.991271	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M-2H+NH4"	16.019271
"875277"	472.343271	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-2H+NH4"	16.019271
"37711"	933.622666	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M-2H+Na"	20.974666
"480550"	1389.946666	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M-2H+Na"	20.974666
"855072"	477.298666	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-2H+Na"	20.974666
"1625698"	477.298666	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Na-2H"	20.974666
"94307"	473.305063	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M-H+Cl"	33.962126
"534620"	701.467063	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M-H+Cl"	33.962126
"929836"	245.143063	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-H+Cl"	33.962126
"271672"	947.617402	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+Cl"	34.969402
"668470"	1403.941402	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+Cl"	34.969402
"1280873"	491.293402	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Cl"	34.969402
"24522"	949.596606	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M-2H+K"	36.948606
"464084"	1405.920606	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M-2H+K"	36.948606
"839698"	493.272606	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-2H+K"	36.948606
"1562094"	493.272606	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+K-2H"	36.948606
"946695"	501.322194	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-H+HCOOH"	44.998194
"362115"	957.646201	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+HCOOH-H"	44.998201
"345913"	971.661851	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+Hac-H"	59.013851
"1493612"	515.337851	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Hac-H"	59.013851
"959699"	523.304151	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-H+NaCOOH"	66.980151
"111031"	491.293402	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+2Cl"	69.938804
"551085"	719.455402	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+2Cl"	69.938804
"1022801"	263.131402	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2Cl"	69.938804
"1246389"	535.242885	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Br"	78.918885
"1307745"	537.298872	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Cl+HCOOH"	80.974872
"1323055"	559.280829	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Cl+NaCOOH"	102.956829
"914479"	569.309586	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M-H+CF3COOH"	112.985586
"1291917"	605.286264	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Cl+CF3COOH"	148.962264
"1367891"	421.311324	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H-2H2O"	-35.012676
"1387576"	439.3213	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H-H2O"	-17.0027
"285437"	913.655276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+H"	1.007276
"676398"	1369.979276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+H"	1.007276
"1362597"	457.331276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H"	1.007276
"134395"	457.331276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+2H"	2.014552
"577235"	685.493276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+2H"	2.014552
"1040565"	229.169276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2H"	2.014552
"208467"	305.223276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+3H"	3.021828
"652401"	457.331276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+3H"	3.021828
"1165054"	153.115276	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+3H"	3.021828
"427962"	930.681823	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+NH4"	18.033823
"787864"	1387.005823	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+NH4"	18.033823
"1683469"	474.357823	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+NH4"	18.033823
"331383"	465.8445495	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+H+NH4"	19.041099
"724533"	694.0065495	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+H+NH4"	19.041099
"1477503"	237.6825495	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H+NH4"	19.041099
"394477"	935.637218	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+Na"	22.989218
"756204"	1391.961218	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+Na"	22.989218
"1603694"	479.313218	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Na"	22.989218
"316162"	468.322247	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+H+Na"	23.996494
"711504"	696.484247	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+H+Na"	23.996494
"1465322"	240.160247	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H+Na"	23.996494
"1055290"	160.44259	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2H+Na"	25.00377
"1261342"	489.357486	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+CH3OH+H"	33.033486
"379918"	951.611158	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+K"	38.963158
"744195"	1407.935158	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+K"	38.963158
"1549530"	495.287158	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+K"	38.963158
"300873"	476.309217	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+H+K"	39.970434
"696939"	704.471217	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+H+K"	39.970434
"1454043"	248.147217	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H+K"	39.970434
"244834"	954.681826	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+ACN+H"	42.033826
"1219729"	498.357826	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+ACN+H"	42.033826
"1200331"	249.682551	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+ACN+2H"	43.041102
"192474"	957.61916	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+2Na-H"	44.97116
"633493"	1413.94316	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+2Na-H"	44.97116
"1135913"	501.29516	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2Na-H"	44.97116
"177382"	479.313218	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+2Na"	45.978436
"622416"	707.475218	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+2Na"	45.978436
"1125922"	251.151218	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2Na"	45.978436
"1407259"	167.769904	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H+2Na"	46.985712
"1432814"	503.336746	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H+HCOOH"	47.012746
"221535"	484.34624	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+3H2O+2H"	56.04448
"1509477"	517.38879	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+IsoProp+H"	61.06479
"410258"	487.300188	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+Na+K"	61.952376
"776723"	715.462188	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+Na+K"	61.952376
"1666489"	259.138188	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Na+K"	61.952376
"255199"	976.663768	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+ACN+Na"	64.015768
"1226814"	520.339768	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+ACN+Na"	64.015768
"1715704"	520.363293	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+NH4+HCOOH"	64.039293
"1179235"	175.097218	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+3Na"	68.967654
"1650623"	525.318688	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Na+HCOOH"	68.994688
"157400"	989.56704	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+2K-H"	76.91904
"597854"	1445.89104	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+2K-H"	76.91904
"1085282"	533.24304	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2K-H"	76.91904
"141420"	495.287158	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"2M+2K"	77.926316
"588109"	723.449158	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"3M+2K"	77.926316
"1072619"	267.125158	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2K"	77.926316
"1102548"	535.257592	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2K+H"	78.933592
"1341123"	535.345207	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+DMSO+H"	79.021207
"1007825"	539.384376	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2ACN+H"	83.060376
"1536533"	540.378008	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+IsoProp+Na+H"	84.054008
"1002980"	270.195826	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+2ACN+2H"	84.067652
"1599670"	541.292628	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+K+HCOOH"	84.968628
"1423142"	571.324138	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+H+CF3COOH"	115.000138
"1153430"	290.709101	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+3ACN+2H"	125.094202
"1700795"	588.350685	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+NH4+CF3COOH"	132.026685
"1638634"	593.30608	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+Na+CF3COOH"	136.98208
"1583034"	609.28002	"C16891"	"Callystatin A"	"C29H44O4"	"456.324"	"M+K+CF3COOH"	152.95602
"813402"	857.732	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M"	0
"989853"	838.71361	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-H2O-H"	-19.01839
"74087"	570.814057333333	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M-3H"	-3.021828
"510367"	856.724724	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M-3H"	-3.021828
"887077"	284.903390666667	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-3H"	-3.021828
"11117"	856.724724	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M-2H"	-2.014552
"449583"	1285.590724	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M-2H"	-2.014552
"824105"	427.858724	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-2H"	-2.014552
"89568"	1714.456724	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M-H"	-1.007276
"531321"	2572.188724	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M-H"	-1.007276
"903654"	856.724724	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-H"	-1.007276
"59121"	1731.483271	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M-2H+NH4"	16.019271
"497587"	2589.215271	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M-2H+NH4"	16.019271
"874294"	873.751271	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-2H+NH4"	16.019271
"41101"	1736.438666	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M-2H+Na"	20.974666
"478474"	2594.170666	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M-2H+Na"	20.974666
"854089"	878.706666	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-2H+Na"	20.974666
"1623623"	878.706666	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Na-2H"	20.974666
"96870"	874.713063	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M-H+Cl"	33.962126
"536066"	1303.579063	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M-H+Cl"	33.962126
"929947"	445.847063	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-H+Cl"	33.962126
"277252"	1750.433402	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+Cl"	34.969402
"670767"	2608.165402	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+Cl"	34.969402
"1282076"	892.701402	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Cl"	34.969402
"26820"	1752.412606	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M-2H+K"	36.948606
"465287"	2610.144606	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M-2H+K"	36.948606
"840901"	894.680606	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-2H+K"	36.948606
"1563297"	894.680606	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+K-2H"	36.948606
"945712"	902.730194	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-H+HCOOH"	44.998194
"363561"	1760.462201	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+HCOOH-H"	44.998201
"346352"	1774.477851	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+Hac-H"	59.013851
"1494088"	916.745851	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Hac-H"	59.013851
"959809"	924.712151	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-H+NaCOOH"	66.980151
"111267"	892.701402	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+2Cl"	69.938804
"552653"	1321.567402	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+2Cl"	69.938804
"1024368"	463.835402	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2Cl"	69.938804
"1247592"	936.650885	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Br"	78.918885
"1306762"	938.706872	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Cl+HCOOH"	80.974872
"1322072"	960.688829	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Cl+NaCOOH"	102.956829
"915682"	970.717586	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M-H+CF3COOH"	112.985586
"1289475"	1006.694264	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Cl+CF3COOH"	148.962264
"1368729"	822.719324	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H-2H2O"	-35.012676
"1386592"	840.7293	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H-H2O"	-17.0027
"283722"	1716.471276	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+H"	1.007276
"676144"	2574.203276	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+H"	1.007276
"1359427"	858.739276	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H"	1.007276
"135599"	858.739276	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+2H"	2.014552
"577710"	1287.605276	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+2H"	2.014552
"1039581"	429.873276	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2H"	2.014552
"207846"	572.828609333333	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+3H"	3.021828
"647405"	858.739276	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+3H"	3.021828
"1165896"	286.917942666667	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+3H"	3.021828
"428437"	1733.497823	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+NH4"	18.033823
"787978"	2591.229823	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+NH4"	18.033823
"1684672"	875.765823	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+NH4"	18.033823
"331858"	867.2525495	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+H+NH4"	19.041099
"723550"	1296.1185495	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+H+NH4"	19.041099
"1477373"	438.3865495	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H+NH4"	19.041099
"393129"	1738.453218	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+Na"	22.989218
"754975"	2596.185218	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+Na"	22.989218
"1603319"	880.721218	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Na"	22.989218
"321378"	869.730247	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+H+Na"	23.996494
"712706"	1298.596247	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+H+Na"	23.996494
"1465435"	440.864247	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H+Na"	23.996494
"1055763"	294.245256666667	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2H+Na"	25.00377
"1260358"	890.765486	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+CH3OH+H"	33.033486
"381122"	1754.427158	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+K"	38.963158
"744306"	2612.159158	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+K"	38.963158
"1544171"	896.695158	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+K"	38.963158
"303170"	877.717217	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+H+K"	39.970434
"696320"	1306.583217	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+H+K"	39.970434
"1453060"	448.851217	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H+K"	39.970434
"240569"	1757.497826	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+ACN+H"	42.033826
"1213277"	899.765826	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+ACN+H"	42.033826
"1197161"	450.386551	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+ACN+2H"	43.041102
"191125"	1760.43516	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+2Na-H"	44.97116
"632875"	2618.16716	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+2Na-H"	44.97116
"1135295"	902.70316	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2Na-H"	44.97116
"179679"	880.721218	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+2Na"	45.978436
"620339"	1309.587218	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+2Na"	45.978436
"1126032"	451.855218	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2Na"	45.978436
"1410649"	301.572570666667	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H+2Na"	46.985712
"1439484"	904.744746	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H+HCOOH"	47.012746
"223711"	885.75424	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+3H2O+2H"	56.04448
"1510680"	918.79679	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+IsoProp+H"	61.06479
"409639"	888.708188	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+Na+K"	61.952376
"777926"	1317.574188	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+Na+K"	61.952376
"1666963"	459.842188	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Na+K"	61.952376
"255309"	1779.479768	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+ACN+Na"	64.015768
"1226559"	921.747768	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+ACN+Na"	64.015768
"1715814"	921.771293	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+NH4+HCOOH"	64.039293
"1184450"	308.899884666667	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+3Na"	68.967654
"1651425"	926.726688	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Na+HCOOH"	68.994688
"158282"	1792.38304	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+2K-H"	76.91904
"599669"	2650.11504	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+2K-H"	76.91904
"1084663"	934.65104	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2K-H"	76.91904
"141593"	896.695158	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"2M+2K"	77.926316
"590405"	1325.561158	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"3M+2K"	77.926316
"1080387"	467.829158	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2K"	77.926316
"1112506"	936.665592	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2K+H"	78.933592
"1344515"	936.753207	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+DMSO+H"	79.021207
"1016326"	940.792376	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2ACN+H"	83.060376
"1530075"	941.786008	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+IsoProp+Na+H"	84.054008
"1001998"	470.899826	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+2ACN+2H"	84.067652
"1598688"	942.700628	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+K+HCOOH"	84.968628
"1419973"	972.732138	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+H+CF3COOH"	115.000138
"1157913"	491.413101	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+3ACN+2H"	125.094202
"1700905"	989.758685	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+NH4+CF3COOH"	132.026685
"1638744"	994.71408	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+Na+CF3COOH"	136.98208
"1572570"	1010.68802	"C16892"	"KRN 7000"	"C50H99NO9"	"857.732"	"M+K+CF3COOH"	152.95602
"813513"	401.3532	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M"	0
"981577"	382.33481	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-H2O-H"	-19.01839
"77478"	266.561524	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M-3H"	-3.021828
"512665"	400.345924	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M-3H"	-3.021828
"892654"	132.777124	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-3H"	-3.021828
"15281"	400.345924	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M-2H"	-2.014552
"449693"	601.022524	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M-2H"	-2.014552
"827496"	199.669324	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-2H"	-2.014552
"89678"	801.699124	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M-H"	-1.007276
"528153"	1203.052324	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M-H"	-1.007276
"902671"	400.345924	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-H"	-1.007276
"55950"	818.725671	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M-2H+NH4"	16.019271
"496604"	1220.078871	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M-2H+NH4"	16.019271
"875498"	417.372471	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-2H+NH4"	16.019271
"41211"	823.681066	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M-2H+Na"	20.974666
"480771"	1225.034266	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M-2H+Na"	20.974666
"854200"	422.327866	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-2H+Na"	20.974666
"1622639"	422.327866	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Na-2H"	20.974666
"96980"	418.334263	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M-H+Cl"	33.962126
"537636"	619.010863	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M-H+Cl"	33.962126
"933337"	217.657663	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-H+Cl"	33.962126
"277362"	837.675802	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+Cl"	34.969402
"670877"	1239.029002	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+Cl"	34.969402
"1282186"	436.322602	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Cl"	34.969402
"28025"	839.655006	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M-2H+K"	36.948606
"467583"	1241.008206	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M-2H+K"	36.948606
"843198"	438.301806	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-2H+K"	36.948606
"1565597"	438.301806	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+K-2H"	36.948606
"949102"	446.351394	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-H+HCOOH"	44.998194
"365858"	847.704601	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+HCOOH-H"	44.998201
"347555"	861.720251	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+Hac-H"	59.013851
"1494927"	460.367051	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Hac-H"	59.013851
"959918"	468.333351	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-H+NaCOOH"	66.980151
"113567"	436.322602	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+2Cl"	69.938804
"552399"	636.999202	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+2Cl"	69.938804
"1024478"	235.646002	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2Cl"	69.938804
"1248796"	480.272085	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Br"	78.918885
"1306502"	482.328072	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Cl+HCOOH"	80.974872
"1322177"	504.310029	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Cl+NaCOOH"	102.956829
"917613"	514.338786	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M-H+CF3COOH"	112.985586
"1295416"	550.315464	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Cl+CF3COOH"	148.962264
"1374672"	366.340524	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H-2H2O"	-35.012676
"1394353"	384.3505	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H-H2O"	-17.0027
"286019"	803.713676	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+H"	1.007276
"678806"	1205.066876	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+H"	1.007276
"1360631"	402.360476	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H"	1.007276
"135712"	402.360476	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+2H"	2.014552
"574176"	603.037076	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+2H"	2.014552
"1041879"	201.683876	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2H"	2.014552
"209781"	268.576076	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+3H"	3.021828
"648611"	402.360476	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+3H"	3.021828
"1167103"	134.791676	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+3H"	3.021828
"427821"	820.740223	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+NH4"	18.033823
"788458"	1222.093423	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+NH4"	18.033823
"1685150"	419.387023	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+NH4"	18.033823
"331241"	410.8737495	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+H+NH4"	19.041099
"724876"	611.5503495	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+H+NH4"	19.041099
"1477969"	210.1971495	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H+NH4"	19.041099
"394705"	825.695618	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+Na"	22.989218
"757885"	1227.048818	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+Na"	22.989218
"1609264"	424.342418	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Na"	22.989218
"320394"	413.351447	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+H+Na"	23.996494
"716095"	614.028047	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+H+Na"	23.996494
"1464451"	212.674847	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H+Na"	23.996494
"1056605"	142.11899	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2H+Na"	25.00377
"1262656"	434.386686	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+CH3OH+H"	33.033486
"384513"	841.669558	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+K"	38.963158
"749520"	1243.022758	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+K"	38.963158
"1549748"	440.316358	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+K"	38.963158
"309843"	421.338417	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+H+K"	39.970434
"702263"	622.015017	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+H+K"	39.970434
"1453170"	220.661817	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H+K"	39.970434
"240680"	844.740226	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+ACN+H"	42.033826
"1216667"	443.387026	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+ACN+H"	42.033826
"1199457"	222.197151	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+ACN+2H"	43.041102
"193056"	847.67756	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+2Na-H"	44.97116
"634080"	1249.03076	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+2Na-H"	44.97116
"1136498"	446.32436	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2Na-H"	44.97116
"178696"	424.342418	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+2Na"	45.978436
"625916"	625.019018	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+2Na"	45.978436
"1127967"	223.665818	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2Na"	45.978436
"1410759"	149.446304	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H+2Na"	46.985712
"1439594"	448.365946	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H+HCOOH"	47.012746
"227102"	429.37544	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+3H2O+2H"	56.04448
"1509818"	462.41799	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+IsoProp+H"	61.06479
"412665"	432.329388	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+Na+K"	61.952376
"775850"	633.005988	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+Na+K"	61.952376
"1669261"	231.652788	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Na+K"	61.952376
"256512"	866.722168	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+ACN+Na"	64.015768
"1228128"	465.368968	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+ACN+Na"	64.015768
"1715557"	465.392493	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+NH4+HCOOH"	64.039293
"1182367"	156.773618	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+3Na"	68.967654
"1651895"	470.347888	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Na+HCOOH"	68.994688
"160213"	879.62544	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+2K-H"	76.91904
"598433"	1280.97864	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+2K-H"	76.91904
"1085745"	478.27224	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2K-H"	76.91904
"142432"	440.316358	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"2M+2K"	77.926316
"588328"	640.992958	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"3M+2K"	77.926316
"1078309"	239.639758	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2K"	77.926316
"1104955"	480.286792	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2K+H"	78.933592
"1340249"	480.374407	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+DMSO+H"	79.021207
"1010961"	484.413576	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2ACN+H"	83.060376
"1527991"	485.407208	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+IsoProp+Na+H"	84.054008
"992255"	242.710426	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+2ACN+2H"	84.067652
"1596611"	486.321828	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+K+HCOOH"	84.968628
"1423363"	516.353338	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+H+CF3COOH"	115.000138
"1152557"	263.223701	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+3ACN+2H"	125.094202
"1707576"	533.379885	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+NH4+CF3COOH"	132.026685
"1645415"	538.33528	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+Na+CF3COOH"	136.98208
"1572680"	554.30922	"C16893"	"Stellettamide A"	"C26H45N2O"	"401.3532"	"M+K+CF3COOH"	152.95602
"813623"	422.3661	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M"	0
"980594"	403.34771	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-H2O-H"	-19.01839
"77588"	280.570124	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M-3H"	-3.021828
"514962"	421.358824	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M-3H"	-3.021828
"887297"	139.781424	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-3H"	-3.021828
"14618"	421.358824	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M-2H"	-2.014552
"449803"	632.541874	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M-2H"	-2.014552
"827606"	210.175774	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-2H"	-2.014552
"89788"	843.724924	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M-H"	-1.007276
"528261"	1266.091024	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M-H"	-1.007276
"904966"	421.358824	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-H"	-1.007276
"56059"	860.751471	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M-2H+NH4"	16.019271
"491245"	1283.117571	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M-2H+NH4"	16.019271
"871234"	438.385371	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-2H+NH4"	16.019271
"36947"	865.706866	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M-2H+Na"	20.974666
"478694"	1288.072966	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M-2H+Na"	20.974666
"853217"	443.340766	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-2H+Na"	20.974666
"1621655"	443.340766	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Na-2H"	20.974666
"96358"	439.347163	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M-H+Cl"	33.962126
"537376"	650.530213	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M-H+Cl"	33.962126
"929070"	228.164113	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-H+Cl"	33.962126
"272003"	879.701602	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+Cl"	34.969402
"663331"	1302.067702	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+Cl"	34.969402
"1282295"	457.335502	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Cl"	34.969402
"21571"	881.680806	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M-2H+K"	36.948606
"457121"	1304.046906	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M-2H+K"	36.948606
"834922"	459.314706	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-2H+K"	36.948606
"1556588"	459.314706	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+K-2H"	36.948606
"946294"	467.364294	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-H+HCOOH"	44.998194
"361834"	889.730401	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+HCOOH-H"	44.998201
"345791"	903.746051	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+Hac-H"	59.013851
"1493580"	481.379951	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Hac-H"	59.013851
"958725"	489.346251	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-H+NaCOOH"	66.980151
"110128"	457.335502	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+2Cl"	69.938804
"550310"	668.518552	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+2Cl"	69.938804
"1021911"	246.152452	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2Cl"	69.938804
"1242341"	501.284985	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Br"	78.918885
"1305151"	503.340972	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Cl+HCOOH"	80.974872
"1320222"	525.322929	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Cl+NaCOOH"	102.956829
"914444"	535.351686	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M-H+CF3COOH"	112.985586
"1292610"	571.328364	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Cl+CF3COOH"	148.962264
"1371502"	387.353424	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H-2H2O"	-35.012676
"1394463"	405.3634	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H-H2O"	-17.0027
"284674"	845.739476	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+H"	1.007276
"676121"	1268.105576	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+H"	1.007276
"1359647"	423.373376	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H"	1.007276
"133271"	423.373376	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+2H"	2.014552
"571007"	634.556426	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+2H"	2.014552
"1041990"	212.190326	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2H"	2.014552
"210983"	282.584676	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+3H"	3.021828
"646168"	423.373376	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+3H"	3.021828
"1164781"	141.795976	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+3H"	3.021828
"426108"	862.766023	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+NH4"	18.033823
"787109"	1285.132123	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+NH4"	18.033823
"1683072"	440.399923	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+NH4"	18.033823
"330007"	431.8866495	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+H+NH4"	19.041099
"724499"	643.0696995	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+H+NH4"	19.041099
"1477099"	220.7035995	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H+NH4"	19.041099
"393013"	867.721418	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+Na"	22.989218
"756901"	1290.087518	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+Na"	22.989218
"1608280"	445.355318	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Na"	22.989218
"320504"	434.364347	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+H+Na"	23.996494
"711832"	645.547397	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+H+Na"	23.996494
"1464560"	223.181297	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H+Na"	23.996494
"1057807"	149.12329	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2H+Na"	25.00377
"1263860"	455.399586	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+CH3OH+H"	33.033486
"383527"	883.695358	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+K"	38.963158
"744526"	1306.061458	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+K"	38.963158
"1549857"	461.329258	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+K"	38.963158
"302662"	442.351317	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+H+K"	39.970434
"697269"	653.534367	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+H+K"	39.970434
"1452185"	231.168267	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H+K"	39.970434
"241153"	886.766026	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+ACN+H"	42.033826
"1213861"	464.399926	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+ACN+H"	42.033826
"1198838"	232.703601	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+ACN+2H"	43.041102
"190616"	889.70336	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+2Na-H"	44.97116
"629449"	1312.06946	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+2Na-H"	44.97116
"1135880"	467.33726	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2Na-H"	44.97116
"183180"	445.355318	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+2Na"	45.978436
"617278"	656.538368	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+2Na"	45.978436
"1117867"	234.172268	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2Na"	45.978436
"1402119"	156.450604	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H+2Na"	46.985712
"1439704"	469.378846	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H+HCOOH"	47.012746
"229399"	450.38834	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+3H2O+2H"	56.04448
"1516367"	483.43089	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+IsoProp+H"	61.06479
"417144"	453.342288	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+Na+K"	61.952376
"774138"	664.525338	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+Na+K"	61.952376
"1668277"	242.159238	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Na+K"	61.952376
"256987"	908.747968	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+ACN+Na"	64.015768
"1231517"	486.381868	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+ACN+Na"	64.015768
"1715666"	486.405393	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+NH4+HCOOH"	64.039293
"1181383"	163.777918	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+3Na"	68.967654
"1652370"	491.360788	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Na+HCOOH"	68.994688
"160688"	921.65124	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+2K-H"	76.91904
"598181"	1344.01734	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+2K-H"	76.91904
"1085126"	499.28514	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2K-H"	76.91904
"142543"	461.329258	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"2M+2K"	77.926316
"587345"	672.512308	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"3M+2K"	77.926316
"1078419"	250.146208	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2K"	77.926316
"1103243"	501.299692	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2K+H"	78.933592
"1343639"	501.387307	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+DMSO+H"	79.021207
"1009249"	505.426476	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2ACN+H"	83.060376
"1528101"	506.420108	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+IsoProp+Na+H"	84.054008
"993824"	253.216876	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+2ACN+2H"	84.067652
"1595628"	507.334728	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+K+HCOOH"	84.968628
"1425660"	537.366238	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+H+CF3COOH"	115.000138
"1152667"	273.730151	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+3ACN+2H"	125.094202
"1707686"	554.392785	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+NH4+CF3COOH"	132.026685
"1645525"	559.34818	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+Na+CF3COOH"	136.98208
"1574613"	575.32212	"C16894"	"Plakinamine A"	"C29H46N2"	"422.3661"	"M+K+CF3COOH"	152.95602
"817007"	450.3974	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M"	0
"987267"	431.37901	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-H2O-H"	-19.01839
"78388"	299.257657333333	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M-3H"	-3.021828
"508513"	449.390124	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M-3H"	-3.021828
"884125"	149.125190666667	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-3H"	-3.021828
"5252"	449.390124	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M-2H"	-2.014552
"446636"	674.588824	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M-2H"	-2.014552
"825530"	224.191424	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-2H"	-2.014552
"89900"	899.787524	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M-H"	-1.007276
"527276"	1350.184924	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M-H"	-1.007276
"899610"	449.390124	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-H"	-1.007276
"49610"	916.814071	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M-2H+NH4"	16.019271
"493546"	1367.211471	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M-2H+NH4"	16.019271
"870252"	466.416671	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-2H+NH4"	16.019271
"42525"	921.769466	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M-2H+Na"	20.974666
"482086"	1372.166866	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M-2H+Na"	20.974666
"858795"	471.372066	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-2H+Na"	20.974666
"1623955"	471.372066	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Na-2H"	20.974666
"99391"	467.378463	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M-H+Cl"	33.962126
"536396"	692.577163	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M-H+Cl"	33.962126
"932466"	242.179763	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-H+Cl"	33.962126
"268836"	935.764202	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+Cl"	34.969402
"667815"	1386.161602	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+Cl"	34.969402
"1278030"	485.366802	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Cl"	34.969402
"20586"	937.743406	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M-2H+K"	36.948606
"460147"	1388.140806	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M-2H+K"	36.948606
"834668"	487.346006	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-2H+K"	36.948606
"1556698"	487.346006	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+K-2H"	36.948606
"946404"	495.395594	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-H+HCOOH"	44.998194
"362796"	945.793001	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+HCOOH-H"	44.998201
"348508"	959.808651	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+Hac-H"	59.013851
"1493817"	509.411251	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Hac-H"	59.013851
"960263"	517.377551	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-H+NaCOOH"	66.980151
"111600"	485.366802	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+2Cl"	69.938804
"554441"	710.565502	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+2Cl"	69.938804
"1023241"	260.168102	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2Cl"	69.938804
"1245006"	529.316285	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Br"	78.918885
"1304906"	531.372272	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Cl+HCOOH"	80.974872
"1323132"	553.354229	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Cl+NaCOOH"	102.956829
"914919"	563.382986	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M-H+CF3COOH"	112.985586
"1289805"	599.359664	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Cl+CF3COOH"	148.962264
"1374892"	415.384724	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H-2H2O"	-35.012676
"1394573"	433.3947	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H-H2O"	-17.0027
"289157"	901.802076	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+H"	1.007276
"682306"	1352.199476	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+H"	1.007276
"1353194"	451.404676	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H"	1.007276
"137388"	451.404676	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+2H"	2.014552
"575488"	676.603376	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+2H"	2.014552
"1037727"	226.205976	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2H"	2.014552
"208177"	301.272209333333	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+3H"	3.021828
"645550"	451.404676	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+3H"	3.021828
"1165135"	151.139742666667	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+3H"	3.021828
"426949"	918.828623	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+NH4"	18.033823
"785773"	1369.226023	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+NH4"	18.033823
"1682454"	468.431223	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+NH4"	18.033823
"331211"	459.9179495	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+H+NH4"	19.041099
"723150"	685.1166495	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+H+NH4"	19.041099
"1477223"	234.7192495	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H+NH4"	19.041099
"393139"	923.784018	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+Na"	22.989218
"754246"	1374.181418	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+Na"	22.989218
"1602837"	473.386618	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Na"	22.989218
"317336"	462.395647	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+H+Na"	23.996494
"707689"	687.594347	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+H+Na"	23.996494
"1466858"	237.196947	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H+Na"	23.996494
"1055730"	158.467056666667	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2H+Na"	25.00377
"1262876"	483.430886	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+CH3OH+H"	33.033486
"380357"	939.757958	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+K"	38.963158
"745727"	1390.155358	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+K"	38.963158
"1546688"	489.360558	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+K"	38.963158
"299491"	470.382617	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+H+K"	39.970434
"697745"	695.581317	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+H+K"	39.970434
"1454481"	245.183917	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H+K"	39.970434
"241263"	942.828626	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+ACN+H"	42.033826
"1214337"	492.431226	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+ACN+H"	42.033826
"1198948"	246.719251	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+ACN+2H"	43.041102
"192186"	945.76596	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+2Na-H"	44.97116
"629922"	1396.16336	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+2Na-H"	44.97116
"1141094"	495.36856	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2Na-H"	44.97116
"181833"	473.386618	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+2Na"	45.978436
"620669"	698.585318	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+2Na"	45.978436
"1120894"	248.187918	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2Na"	45.978436
"1407698"	165.794370666667	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H+2Na"	46.985712
"1442001"	497.410146	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H+HCOOH"	47.012746
"226230"	478.41964	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+3H2O+2H"	56.04448
"1513198"	511.46219	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+IsoProp+H"	61.06479
"409968"	481.373588	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+Na+K"	61.952376
"772789"	706.572288	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+Na+K"	61.952376
"1670215"	256.174888	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Na+K"	61.952376
"255275"	964.810568	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+ACN+Na"	64.015768
"1230172"	514.413168	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+ACN+Na"	64.015768
"1716509"	514.436693	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+NH4+HCOOH"	64.039293
"1182227"	173.121684666667	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+3Na"	68.967654
"1652479"	519.392088	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Na+HCOOH"	68.994688
"159340"	977.71384	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+2K-H"	76.91904
"598537"	1428.11124	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+2K-H"	76.91904
"1085236"	527.31644	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2K-H"	76.91904
"141927"	489.360558	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"2M+2K"	77.926316
"587455"	714.559258	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"3M+2K"	77.926316
"1078531"	264.161858	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2K"	77.926316
"1104084"	529.330992	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2K+H"	78.933592
"1340469"	529.418607	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+DMSO+H"	79.021207
"1010816"	533.457776	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2ACN+H"	83.060376
"1528211"	534.451408	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+IsoProp+Na+H"	84.054008
"992473"	267.232526	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+2ACN+2H"	84.067652
"1597925"	535.366028	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+K+HCOOH"	84.968628
"1425771"	565.397538	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+H+CF3COOH"	115.000138
"1157153"	287.745801	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+3ACN+2H"	125.094202
"1701238"	582.424085	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+NH4+CF3COOH"	132.026685
"1639075"	587.37948	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+Na+CF3COOH"	136.98208
"1583474"	603.35342	"C16895"	"Plakinamine B"	"C31H50N2"	"450.3974"	"M+K+CF3COOH"	152.95602
"813843"	192.0786	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M"	0
"984094"	173.06021	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"76715"	127.045124	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"507530"	191.071324	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"892984"	63.018924	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"4269"	191.071324	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"446747"	287.110624	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"827828"	95.032024	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"89646"	383.149924	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"525200"	575.228524	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"898627"	191.071324	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"48991"	400.176471	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"492562"	592.255071	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"865988"	208.097871	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"36075"	405.131866	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"474543"	597.210466	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"849793"	213.053266	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1622972"	213.053266	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"101689"	209.059663	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"537967"	305.098963	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"932577"	113.020363	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"272227"	419.126602	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"665740"	611.205202	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1279235"	227.048002	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"23977"	421.105806	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"460257"	613.184406	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"834049"	229.027206	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1555991"	229.027206	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"944327"	237.076794	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"361536"	429.155401	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"348983"	443.171051	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1495629"	251.092451	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"960982"	259.058751	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"112805"	227.048002	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"553458"	323.087302	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1023351"	131.008702	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1244023"	270.997485	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1305376"	273.053472	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1322877"	295.035429	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"912233"	305.064186	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1289060"	341.040864	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1372086"	157.065924	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1390310"	175.0759	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"285987"	385.164476	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"676704"	577.243076	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1355493"	193.085876	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"137861"	193.085876	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"575598"	289.125176	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1038204"	97.046576	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"208288"	129.059676	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"646389"	193.085876	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1167796"	65.033476	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"427789"	402.191023	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"786964"	594.269623	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1685115"	210.112423	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"330595"	201.5991495	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"724354"	297.6384495	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1478054"	105.5598495	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"395762"	407.146418	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"755421"	599.225018	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1602907"	215.067818	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"314401"	204.076847	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"708044"	300.116147	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1469154"	108.037547	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1058025"	72.36079	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1267361"	225.112086	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"381561"	423.120358	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"745837"	615.198958	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1550078"	231.041758	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"302881"	212.063817	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"699679"	308.103117	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1452407"	116.024517	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"243197"	426.191026	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1215176"	234.112426	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1198694"	117.559851	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"190109"	429.12836	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"631857"	621.20696	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1134644"	237.04976	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"183036"	215.067818	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"616406"	311.107118	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1121004"	119.028518	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1406715"	79.688104	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1433363"	239.091346	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"226339"	220.10084	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1511483"	253.14339	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"410804"	223.054788	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"772171"	319.094088	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1670689"	127.015488	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"256845"	448.172968	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1229553"	256.094368	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1715158"	256.117893	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1179781"	87.015418	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1652226"	261.073288	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"158357"	461.07624	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"599011"	653.15484	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1084573"	268.99764	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"142401"	231.041758	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"586472"	327.081058	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1077548"	135.002458	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1104194"	271.012192	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1340579"	271.099807	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1012384"	275.138976	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1529415"	276.132608	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"993676"	138.073126	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1598035"	277.047228	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1424789"	307.078738	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1156170"	158.586401	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1704628"	324.105285	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1645746"	329.06068	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1583584"	345.03462	"C16896"	"Nakitriol"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"813953"	768.4085	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M"	0
"984204"	749.39011	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-H2O-H"	-19.01839
"75732"	511.265057333333	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M-3H"	-3.021828
"517724"	767.401224	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M-3H"	-3.021828
"892001"	255.128890666667	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-3H"	-3.021828
"2194"	767.401224	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M-2H"	-2.014552
"446857"	1151.605474	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M-2H"	-2.014552
"827938"	383.196974	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-2H"	-2.014552
"87933"	1535.809724	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M-H"	-1.007276
"526401"	2304.218224	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M-H"	-1.007276
"897644"	767.401224	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-H"	-1.007276
"47267"	1552.836271	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M-2H+NH4"	16.019271
"488538"	2321.244771	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M-2H+NH4"	16.019271
"866098"	784.427771	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-2H+NH4"	16.019271
"36187"	1557.791666	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M-2H+Na"	20.974666
"476841"	2326.200166	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M-2H+Na"	20.974666
"853551"	789.383166	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-2H+Na"	20.974666
"1628551"	789.383166	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Na-2H"	20.974666
"102893"	785.389563	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M-H+Cl"	33.962126
"543546"	1169.593813	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M-H+Cl"	33.962126
"930500"	401.185313	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-H+Cl"	33.962126
"278897"	1571.786402	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+Cl"	34.969402
"666946"	2340.194902	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+Cl"	34.969402
"1282627"	803.377902	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Cl"	34.969402
"22999"	1573.765606	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M-2H+K"	36.948606
"462557"	2342.174106	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M-2H+K"	36.948606
"841454"	805.357106	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-2H+K"	36.948606
"1562754"	805.357106	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+K-2H"	36.948606
"947356"	813.406694	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-H+HCOOH"	44.998194
"365569"	1581.815201	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+HCOOH-H"	44.998201
"346906"	1595.830851	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+Hac-H"	59.013851
"1495739"	827.422351	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Hac-H"	59.013851
"961458"	835.388651	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-H+NaCOOH"	66.980151
"115104"	803.377902	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+2Cl"	69.938804
"556488"	1187.582152	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+2Cl"	69.938804
"1031848"	419.173652	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2Cl"	69.938804
"1253613"	847.327385	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Br"	78.918885
"1312781"	849.383372	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Cl+HCOOH"	80.974872
"1322259"	871.365329	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Cl+NaCOOH"	102.956829
"918057"	881.394086	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M-H+CF3COOH"	112.985586
"1294768"	917.370764	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Cl+CF3COOH"	148.962264
"1375116"	733.395824	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H-2H2O"	-35.012676
"1393705"	751.4058	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H-H2O"	-17.0027
"291204"	1537.824276	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+H"	1.007276
"683623"	2306.232776	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+H"	1.007276
"1353778"	769.415776	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H"	1.007276
"127762"	769.415776	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+2H"	2.014552
"569148"	1153.620026	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+2H"	2.014552
"1040495"	385.211526	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2H"	2.014552
"205846"	513.279609333333	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+3H"	3.021828
"646133"	769.415776	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+3H"	3.021828
"1165720"	257.143442666667	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+3H"	3.021828
"427898"	1554.850823	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+NH4"	18.033823
"788167"	2323.259323	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+NH4"	18.033823
"1686321"	786.442323	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+NH4"	18.033823
"331315"	777.9290495	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+H+NH4"	19.041099
"723618"	1162.1332995	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+H+NH4"	19.041099
"1477681"	393.7247995	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H+NH4"	19.041099
"394418"	1559.806218	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+Na"	22.989218
"756140"	2328.214718	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+Na"	22.989218
"1607520"	791.397718	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Na"	22.989218
"316827"	780.406747	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+H+Na"	23.996494
"709982"	1164.610997	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+H+Na"	23.996494
"1472544"	396.202497	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H+Na"	23.996494
"1062510"	264.470756666667	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2H+Na"	25.00377
"1266378"	801.441986	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+CH3OH+H"	33.033486
"390058"	1575.780158	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+K"	38.963158
"753239"	2344.188658	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+K"	38.963158
"1553108"	807.371658	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+K"	38.963158
"312472"	788.393717	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+H+K"	39.970434
"703800"	1172.597967	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+H+K"	39.970434
"1457619"	404.189467	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H+K"	39.970434
"247315"	1578.850826	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+ACN+H"	42.033826
"1220387"	810.442326	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+ACN+H"	42.033826
"1199167"	405.724801	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+ACN+2H"	43.041102
"192767"	1581.78816	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+2Na-H"	44.97116
"632330"	2350.19666	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+2Na-H"	44.97116
"1133655"	813.37966	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2Na-H"	44.97116
"178042"	791.397718	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+2Na"	45.978436
"620884"	1175.601968	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+2Na"	45.978436
"1121109"	407.193468	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2Na"	45.978436
"1405725"	271.798070666667	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H+2Na"	46.985712
"1435292"	815.421246	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H+HCOOH"	47.012746
"228267"	796.43074	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+3H2O+2H"	56.04448
"1515237"	829.47329	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+IsoProp+H"	61.06479
"414194"	799.384688	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+Na+K"	61.952376
"775194"	1183.588938	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+Na+K"	61.952376
"1670431"	415.180438	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Na+K"	61.952376
"254763"	1600.832768	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+ACN+Na"	64.015768
"1231849"	832.424268	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+ACN+Na"	64.015768
"1714292"	832.447793	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+NH4+HCOOH"	64.039293
"1183899"	279.125384666667	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+3Na"	68.967654
"1653793"	837.403188	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Na+HCOOH"	68.994688
"159560"	1613.73604	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+2K-H"	76.91904
"598512"	2382.14454	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+2K-H"	76.91904
"1084965"	845.32754	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2K-H"	76.91904
"142752"	807.371658	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"2M+2K"	77.926316
"582319"	1191.575908	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"3M+2K"	77.926316
"1074369"	423.167408	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2K"	77.926316
"1103205"	847.342092	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2K+H"	78.933592
"1337767"	847.429707	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+DMSO+H"	79.021207
"1008119"	851.468876	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2ACN+H"	83.060376
"1527337"	852.462508	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+IsoProp+Na+H"	84.054008
"993786"	426.238076	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+2ACN+2H"	84.067652
"1597052"	853.377128	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+K+HCOOH"	84.968628
"1425991"	883.408638	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+H+CF3COOH"	115.000138
"1150813"	446.751351	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+3ACN+2H"	125.094202
"1701458"	900.435185	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+NH4+CF3COOH"	132.026685
"1645856"	905.39058	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+Na+CF3COOH"	136.98208
"1583694"	921.36452	"C16899"	"Goniodomin A"	"C43H60O12"	"768.4085"	"M+K+CF3COOH"	152.95602
"814063"	421.1923	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M"	0
"984314"	402.17391	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-H2O-H"	-19.01839
"78275"	279.787590666667	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M-3H"	-3.021828
"517713"	420.185024	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M-3H"	-3.021828
"892111"	139.390157333333	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-3H"	-3.021828
"3032"	420.185024	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M-2H"	-2.014552
"448060"	630.781174	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M-2H"	-2.014552
"828048"	209.588874	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-2H"	-2.014552
"88043"	841.377324	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M-H"	-1.007276
"526511"	1262.569624	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M-H"	-1.007276
"897754"	420.185024	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-H"	-1.007276
"47864"	858.403871	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M-2H+NH4"	16.019271
"488161"	1279.596171	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M-2H+NH4"	16.019271
"865357"	437.211571	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-2H+NH4"	16.019271
"37390"	863.359266	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M-2H+Na"	20.974666
"478044"	1284.551566	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M-2H+Na"	20.974666
"854754"	442.166966	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-2H+Na"	20.974666
"1628661"	442.166966	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Na-2H"	20.974666
"103003"	438.173363	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M-H+Cl"	33.962126
"544749"	648.769513	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M-H+Cl"	33.962126
"930610"	227.577213	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-H+Cl"	33.962126
"279007"	877.354002	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+Cl"	34.969402
"669243"	1298.546302	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+Cl"	34.969402
"1283830"	456.161702	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Cl"	34.969402
"24202"	879.333206	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M-2H+K"	36.948606
"464853"	1300.525506	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M-2H+K"	36.948606
"842657"	458.140906	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-2H+K"	36.948606
"1560676"	458.140906	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+K-2H"	36.948606
"952933"	466.190494	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-H+HCOOH"	44.998194
"370054"	887.382801	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+HCOOH-H"	44.998201
"347745"	901.398451	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+Hac-H"	59.013851
"1496942"	480.206151	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Hac-H"	59.013851
"963390"	488.172451	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-H+NaCOOH"	66.980151
"117036"	456.161702	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+2Cl"	69.938804
"557691"	666.757852	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+2Cl"	69.938804
"1029772"	245.565552	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2Cl"	69.938804
"1246796"	500.111185	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Br"	78.918885
"1311798"	502.167172	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Cl+HCOOH"	80.974872
"1330025"	524.149129	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Cl+NaCOOH"	102.956829
"913791"	534.177886	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M-H+CF3COOH"	112.985586
"1292689"	570.154564	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Cl+CF3COOH"	148.962264
"1370852"	386.179624	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H-2H2O"	-35.012676
"1388347"	404.1896	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H-H2O"	-17.0027
"289125"	843.391876	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+H"	1.007276
"684827"	1264.584176	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+H"	1.007276
"1353158"	422.199576	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H"	1.007276
"126168"	422.199576	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+2H"	2.014552
"567435"	632.795726	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+2H"	2.014552
"1038050"	211.603426	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2H"	2.014552
"205950"	281.802142666667	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+3H"	3.021828
"645148"	422.199576	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+3H"	3.021828
"1163642"	141.404709333333	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+3H"	3.021828
"426184"	860.418423	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+NH4"	18.033823
"787185"	1281.610723	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+NH4"	18.033823
"1683875"	439.226123	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+NH4"	18.033823
"331061"	430.7128495	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+H+NH4"	19.041099
"723479"	641.3089995	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+H+NH4"	19.041099
"1478034"	220.1166995	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H+NH4"	19.041099
"393310"	865.373818	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+Na"	22.989218
"754547"	1286.566118	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+Na"	22.989218
"1604106"	444.181518	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Na"	22.989218
"315355"	433.190547	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+H+Na"	23.996494
"708145"	643.786697	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+H+Na"	23.996494
"1471562"	222.594397	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H+Na"	23.996494
"1061527"	148.732023333333	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2H+Na"	25.00377
"1265394"	454.225786	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+CH3OH+H"	33.033486
"387252"	881.347758	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+K"	38.963158
"752620"	1302.540058	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+K"	38.963158
"1550301"	460.155458	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+K"	38.963158
"309664"	441.177517	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+H+K"	39.970434
"704272"	651.773667	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+H+K"	39.970434
"1457000"	230.581367	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H+K"	39.970434
"246695"	884.418426	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+ACN+H"	42.033826
"1217218"	463.226126	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+ACN+H"	42.033826
"1196359"	232.116701	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+ACN+2H"	43.041102
"190690"	887.35576	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+2Na-H"	44.97116
"631346"	1308.54806	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+2Na-H"	44.97116
"1133765"	466.16346	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2Na-H"	44.97116
"177422"	444.181518	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+2Na"	45.978436
"615525"	654.777668	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+2Na"	45.978436
"1117572"	233.585368	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2Na"	45.978436
"1400731"	156.059337333333	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H+2Na"	46.985712
"1433578"	468.205046	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H+HCOOH"	47.012746
"225458"	449.21454	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+3H2O+2H"	56.04448
"1515710"	482.25709	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+IsoProp+H"	61.06479
"412481"	452.168488	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+Na+K"	61.952376
"777487"	662.764638	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+Na+K"	61.952376
"1670540"	241.572338	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Na+K"	61.952376
"253050"	906.400368	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+ACN+Na"	64.015768
"1229043"	485.208068	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+ACN+Na"	64.015768
"1712942"	485.231593	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+NH4+HCOOH"	64.039293
"1180728"	163.386651333333	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+3Na"	68.967654
"1653901"	490.186988	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Na+HCOOH"	68.994688
"161857"	919.30364	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+2K-H"	76.91904
"598136"	1340.49594	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+2K-H"	76.91904
"1084424"	498.11134	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2K-H"	76.91904
"143471"	460.155458	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"2M+2K"	77.926316
"582794"	670.751608	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"3M+2K"	77.926316
"1071200"	249.559308	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2K"	77.926316
"1102222"	500.125892	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2K+H"	78.933592
"1337510"	500.213507	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+DMSO+H"	79.021207
"1007501"	504.252676	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2ACN+H"	83.060376
"1525989"	505.246308	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+IsoProp+Na+H"	84.054008
"992074"	252.629976	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+2ACN+2H"	84.067652
"1598255"	506.160928	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+K+HCOOH"	84.968628
"1426100"	536.192438	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+H+CF3COOH"	115.000138
"1150923"	273.143251	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+3ACN+2H"	125.094202
"1701568"	553.218985	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+NH4+CF3COOH"	132.026685
"1639406"	558.17438	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+Na+CF3COOH"	136.98208
"1580524"	574.14832	"C16901"	"Latrunculin A"	"C22H31NO5S"	"421.1923"	"M+K+CF3COOH"	152.95602
"816980"	1026.5049	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M"	0
"986247"	1007.48651	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-H2O-H"	-19.01839
"78441"	683.329324	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M-3H"	-3.021828
"517582"	1025.497624	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M-3H"	-3.021828
"893315"	341.161024	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-3H"	-3.021828
"14078"	1025.497624	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M-2H"	-2.014552
"452543"	1538.750074	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M-2H"	-2.014552
"830345"	512.245174	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-2H"	-2.014552
"90341"	2052.002524	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M-H"	-1.007276
"526623"	3078.507424	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M-H"	-1.007276
"898957"	1025.497624	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-H"	-1.007276
"49078"	2069.029071	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M-2H+NH4"	16.019271
"489731"	3095.533971	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M-2H+NH4"	16.019271
"871788"	1042.524171	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-2H+NH4"	16.019271
"35316"	2073.984466	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M-2H+Na"	20.974666
"478157"	3100.489366	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M-2H+Na"	20.974666
"857053"	1047.479566	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-2H+Na"	20.974666
"1625491"	1047.479566	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Na-2H"	20.974666
"103113"	1043.485963	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M-H+Cl"	33.962126
"546319"	1556.738413	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M-H+Cl"	33.962126
"932907"	530.233513	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-H+Cl"	33.962126
"278024"	2087.979202	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+Cl"	34.969402
"671540"	3114.484102	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+Cl"	34.969402
"1282850"	1061.474302	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Cl"	34.969402
"26134"	2089.958406	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M-2H+K"	36.948606
"466056"	3116.463306	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M-2H+K"	36.948606
"842767"	1063.453506	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-2H+K"	36.948606
"1562974"	1063.453506	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+K-2H"	36.948606
"950856"	1071.503094	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-H+HCOOH"	44.998194
"370164"	2098.008001	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+HCOOH-H"	44.998201
"349677"	2112.023651	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+Hac-H"	59.013851
"1499968"	1085.518751	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Hac-H"	59.013851
"963136"	1093.485051	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-H+NaCOOH"	66.980151
"118240"	1061.474302	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+2Cl"	69.938804
"557072"	1574.726752	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+2Cl"	69.938804
"1029882"	548.221852	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2Cl"	69.938804
"1248365"	1105.423785	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Br"	78.918885
"1311908"	1107.479772	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Cl+HCOOH"	80.974872
"1330499"	1129.461729	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Cl+NaCOOH"	102.956829
"917183"	1139.490486	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M-H+CF3COOH"	112.985586
"1290975"	1175.467164	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Cl+CF3COOH"	148.962264
"1369504"	991.492224	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H-2H2O"	-35.012676
"1386635"	1009.5022	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H-H2O"	-17.0027
"285956"	2054.017076	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+H"	1.007276
"683844"	3080.521976	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+H"	1.007276
"1352537"	1027.512176	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H"	1.007276
"126644"	1027.512176	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+2H"	2.014552
"569368"	1540.764626	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+2H"	2.014552
"1037799"	514.259726	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2H"	2.014552
"207523"	685.343876	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+3H"	3.021828
"644772"	1027.512176	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+3H"	3.021828
"1162902"	343.175576	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+3H"	3.021828
"426295"	2071.043623	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+NH4"	18.033823
"786931"	3097.548523	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+NH4"	18.033823
"1683988"	1044.538723	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+NH4"	18.033823
"329993"	1036.0254495	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+H+NH4"	19.041099
"722828"	1549.2778995	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+H+NH4"	19.041099
"1477781"	522.7729995	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H+NH4"	19.041099
"395370"	2075.999018	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+Na"	22.989218
"755387"	3102.503918	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+Na"	22.989218
"1602918"	1049.494118	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Na"	22.989218
"314737"	1038.503147	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+H+Na"	23.996494
"708377"	1551.755597	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+H+Na"	23.996494
"1471672"	525.250697	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H+Na"	23.996494
"1060543"	350.50289	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2H+Na"	25.00377
"1265504"	1059.538386	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+CH3OH+H"	33.033486
"387362"	2091.972958	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+K"	38.963158
"751637"	3118.477858	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+K"	38.963158
"1550411"	1065.468058	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+K"	38.963158
"308680"	1046.490117	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+H+K"	39.970434
"704018"	1559.742567	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+H+K"	39.970434
"1457109"	533.237667	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H+K"	39.970434
"244620"	2095.043626	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+ACN+H"	42.033826
"1216235"	1068.538726	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+ACN+H"	42.033826
"1195741"	534.773001	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+ACN+2H"	43.041102
"190797"	2097.98096	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+2Na-H"	44.97116
"631454"	3124.48586	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+2Na-H"	44.97116
"1134971"	1071.47606	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2Na-H"	44.97116
"177168"	1049.494118	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+2Na"	45.978436
"623289"	1562.746568	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+2Na"	45.978436
"1116955"	536.241668	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2Na"	45.978436
"1399627"	357.830204	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H+2Na"	46.985712
"1433688"	1073.517646	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H+HCOOH"	47.012746
"222288"	1054.52714	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+3H2O+2H"	56.04448
"1513630"	1087.56969	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+IsoProp+H"	61.06479
"415509"	1057.481088	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+Na+K"	61.952376
"776504"	1570.733538	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+Na+K"	61.952376
"1671745"	544.228638	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Na+K"	61.952376
"253891"	2117.025568	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+ACN+Na"	64.015768
"1230973"	1090.520668	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+ACN+Na"	64.015768
"1712821"	1090.544193	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+NH4+HCOOH"	64.039293
"1181206"	365.157518	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+3Na"	68.967654
"1653647"	1095.499588	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Na+HCOOH"	68.994688
"160145"	2129.92884	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+2K-H"	76.91904
"599706"	3156.43374	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+2K-H"	76.91904
"1085551"	1103.42394	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2K-H"	76.91904
"141880"	1065.468058	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"2M+2K"	77.926316
"582417"	1578.720508	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"3M+2K"	77.926316
"1071309"	552.215608	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2K"	77.926316
"1103425"	1105.438492	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2K+H"	78.933592
"1336891"	1105.526107	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+DMSO+H"	79.021207
"1008339"	1109.565276	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2ACN+H"	83.060376
"1526829"	1110.558908	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+IsoProp+Na+H"	84.054008
"992914"	555.286276	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+2ACN+2H"	84.067652
"1590697"	1111.473528	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+K+HCOOH"	84.968628
"1426211"	1141.505038	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+H+CF3COOH"	115.000138
"1159782"	575.799551	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+3ACN+2H"	125.094202
"1712250"	1158.531585	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+NH4+CF3COOH"	132.026685
"1646076"	1163.48698	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+Na+CF3COOH"	136.98208
"1580634"	1179.46092	"C16902"	"Mycalolide B"	"C52H74N4O17"	"1026.5049"	"M+K+CF3COOH"	152.95602
"814282"	339.1769	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M"	0
"983441"	320.15851	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-H2O-H"	-19.01839
"72778"	225.110657333333	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M-3H"	-3.021828
"516349"	338.169624	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M-3H"	-3.021828
"893424"	112.051690666667	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-3H"	-3.021828
"14186"	338.169624	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M-2H"	-2.014552
"452653"	507.758074	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M-2H"	-2.014552
"826080"	168.581174	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-2H"	-2.014552
"90451"	677.346524	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M-H"	-1.007276
"526733"	1016.523424	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M-H"	-1.007276
"902347"	338.169624	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-H"	-1.007276
"49067"	694.373071	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M-2H+NH4"	16.019271
"488869"	1033.549971	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M-2H+NH4"	16.019271
"869711"	355.196171	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-2H+NH4"	16.019271
"38706"	699.328466	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M-2H+Na"	20.974666
"478267"	1038.505366	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M-2H+Na"	20.974666
"850602"	360.151566	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-2H+Na"	20.974666
"1625601"	360.151566	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Na-2H"	20.974666
"101036"	356.157963	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M-H+Cl"	33.962126
"544970"	525.746413	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M-H+Cl"	33.962126
"934111"	186.569513	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-H+Cl"	33.962126
"277040"	713.323202	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+Cl"	34.969402
"668370"	1052.500102	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+Cl"	34.969402
"1281866"	374.146302	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Cl"	34.969402
"26608"	715.302406	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M-2H+K"	36.948606
"465073"	1054.479306	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M-2H+K"	36.948606
"841785"	376.125506	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-2H+K"	36.948606
"1563084"	376.125506	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+K-2H"	36.948606
"952060"	384.175094	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-H+HCOOH"	44.998194
"370274"	723.352001	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+HCOOH-H"	44.998201
"349058"	737.367651	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+Hac-H"	59.013851
"1500078"	398.190751	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Hac-H"	59.013851
"963610"	406.157051	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-H+NaCOOH"	66.980151
"119443"	374.146302	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+2Cl"	69.938804
"558276"	543.734752	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+2Cl"	69.938804
"1029992"	204.557852	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2Cl"	69.938804
"1248475"	418.095785	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Br"	78.918885
"1312018"	420.151772	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Cl+HCOOH"	80.974872
"1331703"	442.133729	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Cl+NaCOOH"	102.956829
"921667"	452.162486	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M-H+CF3COOH"	112.985586
"1292909"	488.139164	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Cl+CF3COOH"	148.962264
"1369980"	304.164224	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H-2H2O"	-35.012676
"1386381"	322.1742	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H-H2O"	-17.0027
"288253"	679.361076	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+H"	1.007276
"683956"	1018.537976	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+H"	1.007276
"1353379"	340.184176	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H"	1.007276
"128093"	340.184176	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+2H"	2.014552
"571665"	509.772626	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+2H"	2.014552
"1037666"	170.595726	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2H"	2.014552
"206177"	227.125209333333	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+3H"	3.021828
"645370"	340.184176	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+3H"	3.021828
"1163251"	114.066242666667	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+3H"	3.021828
"424949"	696.387623	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+NH4"	18.033823
"787400"	1035.564523	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+NH4"	18.033823
"1683364"	357.210723	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+NH4"	18.033823
"330062"	348.6974495	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+H+NH4"	19.041099
"723330"	518.2858995	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+H+NH4"	19.041099
"1477648"	179.1089995	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H+NH4"	19.041099
"393080"	701.343018	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+Na"	22.989218
"754320"	1040.519918	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+Na"	22.989218
"1602817"	362.166118	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Na"	22.989218
"314475"	351.175147	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+H+Na"	23.996494
"707188"	520.763597	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+H+Na"	23.996494
"1464128"	181.586697	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H+Na"	23.996494
"1053483"	121.393556666667	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2H+Na"	25.00377
"1263427"	372.210386	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+CH3OH+H"	33.033486
"384192"	717.316958	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+K"	38.963158
"749560"	1056.493858	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+K"	38.963158
"1547240"	378.140058	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+K"	38.963158
"308790"	359.162117	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+H+K"	39.970434
"696839"	528.750567	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+H+K"	39.970434
"1455034"	189.573667	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H+K"	39.970434
"244728"	720.387626	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+ACN+H"	42.033826
"1216344"	381.210726	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+ACN+H"	42.033826
"1195851"	191.109001	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+ACN+2H"	43.041102
"189936"	723.32496	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+2Na-H"	44.97116
"630468"	1062.50186	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+2Na-H"	44.97116
"1138361"	384.14806	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2Na-H"	44.97116
"180558"	362.166118	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+2Na"	45.978436
"620120"	531.754568	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+2Na"	45.978436
"1118159"	192.577668	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2Na"	45.978436
"1402775"	128.720870666667	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H+2Na"	46.985712
"1433798"	386.189646	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H+HCOOH"	47.012746
"224586"	367.19914	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+3H2O+2H"	56.04448
"1517022"	400.24169	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+IsoProp+H"	61.06479
"415619"	370.153088	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+Na+K"	61.952376
"776614"	539.741538	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+Na+K"	61.952376
"1669668"	200.564638	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Na+K"	61.952376
"254366"	742.369568	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+ACN+Na"	64.015768
"1233271"	403.192668	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+ACN+Na"	64.015768
"1712877"	403.216193	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+NH4+HCOOH"	64.039293
"1182046"	136.048184666667	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+3Na"	68.967654
"1651936"	408.171588	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Na+HCOOH"	68.994688
"160985"	755.27284	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+2K-H"	76.91904
"599452"	1094.44974	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+2K-H"	76.91904
"1085419"	416.09594	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2K-H"	76.91904
"142232"	378.140058	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"2M+2K"	77.926316
"581801"	547.728508	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"3M+2K"	77.926316
"1071054"	208.551608	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2K"	77.926316
"1103171"	418.110492	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2K+H"	78.933592
"1335908"	418.198107	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+DMSO+H"	79.021207
"1006019"	422.237276	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2ACN+H"	83.060376
"1524752"	423.230908	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+IsoProp+Na+H"	84.054008
"993024"	211.622276	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+2ACN+2H"	84.067652
"1590807"	424.145528	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+K+HCOOH"	84.968628
"1427415"	454.177038	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+H+CF3COOH"	115.000138
"1159892"	232.135551	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+3ACN+2H"	125.094202
"1709443"	471.203585	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+NH4+CF3COOH"	132.026685
"1642906"	476.15898	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+Na+CF3COOH"	136.98208
"1580744"	492.13292	"C16903"	"Perazine"	"C20H25N3S"	"339.1769"	"M+K+CF3COOH"	152.95602
"814028"	849.5238	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M"	0
"987197"	830.50541	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-H2O-H"	-19.01839
"72888"	565.341924	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M-3H"	-3.021828
"516823"	848.516524	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M-3H"	-3.021828
"891347"	282.167324	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-3H"	-3.021828
"10651"	848.516524	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M-2H"	-2.014552
"449483"	1273.278424	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M-2H"	-2.014552
"826190"	423.754624	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-2H"	-2.014552
"90564"	1698.040324	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M-H"	-1.007276
"527936"	2547.564124	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M-H"	-1.007276
"904645"	848.516524	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-H"	-1.007276
"51365"	1715.066871	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M-2H+NH4"	16.019271
"492018"	2564.590671	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M-2H+NH4"	16.019271
"876384"	865.543071	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-2H+NH4"	16.019271
"44284"	1720.022266	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M-2H+Na"	20.974666
"481657"	2569.546066	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M-2H+Na"	20.974666
"853992"	870.498466	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-2H+Na"	20.974666
"1626806"	870.498466	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Na-2H"	20.974666
"106251"	866.504863	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M-H+Cl"	33.962126
"546177"	1291.266763	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M-H+Cl"	33.962126
"936411"	441.742963	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-H+Cl"	33.962126
"276790"	1734.017002	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+Cl"	34.969402
"667389"	2583.540802	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+Cl"	34.969402
"1279791"	884.493202	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Cl"	34.969402
"24532"	1735.996206	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M-2H+K"	36.948606
"464093"	2585.520006	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M-2H+K"	36.948606
"844081"	886.472406	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-2H+K"	36.948606
"1562101"	886.472406	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+K-2H"	36.948606
"946702"	894.521994	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-H+HCOOH"	44.998194
"367104"	1744.045801	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+HCOOH-H"	44.998201
"350262"	1758.061451	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+Hac-H"	59.013851
"1498731"	908.537651	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Hac-H"	59.013851
"967366"	916.503951	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-H+NaCOOH"	66.980151
"118460"	884.493202	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+2Cl"	69.938804
"560209"	1309.255102	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+2Cl"	69.938804
"1033018"	459.731302	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2Cl"	69.938804
"1248585"	928.442685	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Br"	78.918885
"1312131"	930.498672	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Cl+HCOOH"	80.974872
"1328532"	952.480629	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Cl+NaCOOH"	102.956829
"916310"	962.509386	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M-H+CF3COOH"	112.985586
"1290104"	998.486064	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Cl+CF3COOH"	148.962264
"1372277"	814.511124	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H-2H2O"	-35.012676
"1386491"	832.5211	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H-H2O"	-17.0027
"289456"	1700.054876	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+H"	1.007276
"686980"	2549.578676	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+H"	1.007276
"1352760"	850.531076	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H"	1.007276
"127595"	850.531076	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+2H"	2.014552
"571775"	1275.292976	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+2H"	2.014552
"1039478"	425.769176	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2H"	2.014552
"208473"	567.356476	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+3H"	3.021828
"645234"	850.531076	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+3H"	3.021828
"1163724"	284.181876	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+3H"	3.021828
"426880"	1717.081423	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+NH4"	18.033823
"787143"	2566.605223	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+NH4"	18.033823
"1682748"	867.557623	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+NH4"	18.033823
"330658"	859.0443495	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+H+NH4"	19.041099
"723807"	1283.8062495	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+H+NH4"	19.041099
"1477678"	434.2824495	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H+NH4"	19.041099
"393195"	1722.036818	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+Na"	22.989218
"754330"	2571.560618	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+Na"	22.989218
"1602971"	872.513018	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Na"	22.989218
"314511"	861.522047	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+H+Na"	23.996494
"707368"	1286.283947	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+H+Na"	23.996494
"1466060"	436.760147	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H+Na"	23.996494
"1056390"	291.50919	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2H+Na"	25.00377
"1260985"	882.557286	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+CH3OH+H"	33.033486
"382113"	1738.010758	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+K"	38.963158
"745297"	2587.534558	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+K"	38.963158
"1543340"	888.486958	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+K"	38.963158
"303432"	869.509017	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+H+K"	39.970434
"696948"	1294.270917	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+H+K"	39.970434
"1452957"	444.747117	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H+K"	39.970434
"243744"	1741.081426	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+ACN+H"	42.033826
"1215359"	891.557626	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+ACN+H"	42.033826
"1197055"	446.282451	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+ACN+2H"	43.041102
"190652"	1744.01876	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+2Na-H"	44.97116
"631306"	2593.54256	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+2Na-H"	44.97116
"1133730"	894.49496	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2Na-H"	44.97116
"181763"	872.513018	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+2Na"	45.978436
"621322"	1297.274918	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+2Na"	45.978436
"1116444"	447.751118	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2Na"	45.978436
"1401793"	298.836504	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H+2Na"	46.985712
"1430991"	896.536546	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H+HCOOH"	47.012746
"221536"	877.54604	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+3H2O+2H"	56.04448
"1514943"	910.58859	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+IsoProp+H"	61.06479
"413542"	880.499988	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+Na+K"	61.952376
"771259"	1305.261888	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+Na+K"	61.952376
"1667956"	455.738088	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Na+K"	61.952376
"256297"	1763.063368	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+ACN+Na"	64.015768
"1230101"	913.539568	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+ACN+Na"	64.015768
"1713274"	913.563093	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+NH4+HCOOH"	64.039293
"1178829"	306.163818	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+3Na"	68.967654
"1653503"	918.518488	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Na+HCOOH"	68.994688
"158177"	1775.96664	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+2K-H"	76.91904
"598832"	2625.49044	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+2K-H"	76.91904
"1084554"	926.44284	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2K-H"	76.91904
"141774"	888.486958	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"2M+2K"	77.926316
"582396"	1313.248858	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"3M+2K"	77.926316
"1070076"	463.725058	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2K"	77.926316
"1101826"	928.457392	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2K+H"	78.933592
"1338210"	928.545007	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+DMSO+H"	79.021207
"1006738"	932.584176	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2ACN+H"	83.060376
"1525957"	933.577808	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+IsoProp+Na+H"	84.054008
"993134"	466.795726	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+2ACN+2H"	84.067652
"1588001"	934.492428	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+K+HCOOH"	84.968628
"1416577"	964.523938	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+H+CF3COOH"	115.000138
"1160003"	487.309001	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+3ACN+2H"	125.094202
"1711741"	981.550485	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+NH4+CF3COOH"	132.026685
"1649577"	986.50588	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+Na+CF3COOH"	136.98208
"1580854"	1002.47982	"C16904"	"Tolytoxin"	"C46H75NO13"	"849.5238"	"M+K+CF3COOH"	152.95602
"816692"	984.5896	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M"	0
"986578"	965.57121	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-H2O-H"	-19.01839
"75185"	655.385790666667	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M-3H"	-3.021828
"513651"	983.582324	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M-3H"	-3.021828
"891457"	327.189257333333	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-3H"	-3.021828
"14041"	983.582324	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M-2H"	-2.014552
"449593"	1475.877124	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M-2H"	-2.014552
"826300"	491.287524	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-2H"	-2.014552
"89946"	1968.171924	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M-H"	-1.007276
"526953"	2952.761524	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M-H"	-1.007276
"904755"	983.582324	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-H"	-1.007276
"51475"	1985.198471	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M-2H+NH4"	16.019271
"492128"	2969.788071	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M-2H+NH4"	16.019271
"876494"	1000.608871	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-2H+NH4"	16.019271
"43301"	1990.153866	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M-2H+Na"	20.974666
"481767"	2974.743466	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M-2H+Na"	20.974666
"856289"	1005.564266	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-2H+Na"	20.974666
"1629103"	1005.564266	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Na-2H"	20.974666
"103445"	1001.570663	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M-H+Cl"	33.962126
"544828"	1493.865463	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M-H+Cl"	33.962126
"935063"	509.275863	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-H+Cl"	33.962126
"277265"	2004.148602	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+Cl"	34.969402
"665312"	2988.738202	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+Cl"	34.969402
"1281724"	1019.559002	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Cl"	34.969402
"23550"	2006.127806	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M-2H+K"	36.948606
"464203"	2990.717406	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M-2H+K"	36.948606
"840911"	1021.538206	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-2H+K"	36.948606
"1564398"	1021.538206	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+K-2H"	36.948606
"952280"	1029.587794	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-H+HCOOH"	44.998194
"369402"	2014.177401	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+HCOOH-H"	44.998201
"353287"	2028.193051	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+Hac-H"	59.013851
"1496289"	1043.603451	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Hac-H"	59.013851
"963467"	1051.569751	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-H+NaCOOH"	66.980151
"115654"	1019.559002	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+2Cl"	69.938804
"557038"	1511.853802	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+2Cl"	69.938804
"1030212"	527.264202	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2Cl"	69.938804
"1248695"	1063.508485	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Br"	78.918885
"1313333"	1065.564472	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Cl+HCOOH"	80.974872
"1330828"	1087.546429	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Cl+NaCOOH"	102.956829
"920794"	1097.575186	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M-H+CF3COOH"	112.985586
"1292036"	1133.551864	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Cl+CF3COOH"	148.962264
"1369104"	949.576924	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H-2H2O"	-35.012676
"1388788"	967.5869	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H-H2O"	-17.0027
"288473"	1970.186476	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+H"	1.007276
"686361"	2954.776076	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+H"	1.007276
"1358335"	985.596876	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H"	1.007276
"131230"	985.596876	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+2H"	2.014552
"571884"	1477.891676	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+2H"	2.014552
"1041046"	493.302076	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2H"	2.014552
"210769"	657.400342666667	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+3H"	3.021828
"647053"	985.596876	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+3H"	3.021828
"1164449"	329.203809333333	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+3H"	3.021828
"432824"	1987.213023	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+NH4"	18.033823
"789445"	2971.802623	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+NH4"	18.033823
"1685776"	1002.623423	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+NH4"	18.033823
"330409"	994.1101495	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+H+NH4"	19.041099
"724045"	1486.4049495	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+H+NH4"	19.041099
"1477869"	501.8153495	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H+NH4"	19.041099
"394968"	1992.168418	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+Na"	22.989218
"755231"	2976.758018	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+Na"	22.989218
"1604790"	1007.578818	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Na"	22.989218
"317016"	996.587847	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+H+Na"	23.996494
"707731"	1488.882647	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+H+Na"	23.996494
"1463984"	504.293047	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H+Na"	23.996494
"1055043"	336.531123333333	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2H+Na"	25.00377
"1260733"	1017.623086	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+CH3OH+H"	33.033486
"382226"	2008.142358	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+K"	38.963158
"749781"	2992.731958	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+K"	38.963158
"1546368"	1023.552758	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+K"	38.963158
"304636"	1004.574817	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+H+K"	39.970434
"697059"	1496.869617	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+H+K"	39.970434
"1454161"	512.280017	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H+K"	39.970434
"246041"	2011.213026	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+ACN+H"	42.033826
"1219843"	1026.623426	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+ACN+H"	42.033826
"1195098"	513.815351	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+ACN+2H"	43.041102
"190397"	2014.15036	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+2Na-H"	44.97116
"632146"	2998.73996	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+2Na-H"	44.97116
"1133113"	1029.56076	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2Na-H"	44.97116
"177499"	1007.578818	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+2Na"	45.978436
"613777"	1499.873618	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+2Na"	45.978436
"1117286"	515.284018	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2Na"	45.978436
"1405184"	343.858437333333	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H+2Na"	46.985712
"1434019"	1031.602346	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H+HCOOH"	47.012746
"224807"	1012.61184	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+3H2O+2H"	56.04448
"1517242"	1045.65439	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+IsoProp+H"	61.06479
"418026"	1015.565788	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+Na+K"	61.952376
"777929"	1507.860588	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+Na+K"	61.952376
"1673169"	523.270988	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Na+K"	61.952376
"257500"	2033.194968	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+ACN+Na"	64.015768
"1232396"	1048.605368	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+ACN+Na"	64.015768
"1714726"	1048.628893	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+NH4+HCOOH"	64.039293
"1182267"	351.185751333333	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+3Na"	68.967654
"1654345"	1053.584288	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Na+HCOOH"	68.994688
"159018"	2046.09824	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+2K-H"	76.91904
"601860"	3030.68784	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+2K-H"	76.91904
"1089653"	1061.50864	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2K-H"	76.91904
"146470"	1023.552758	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"2M+2K"	77.926316
"582750"	1515.847558	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"3M+2K"	77.926316
"1071645"	531.257958	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2K"	77.926316
"1102666"	1063.523192	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2K+H"	78.933592
"1340141"	1063.610807	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+DMSO+H"	79.021207
"1006969"	1067.649976	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2ACN+H"	83.060376
"1526067"	1068.643608	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+IsoProp+Na+H"	84.054008
"994337"	534.328626	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+2ACN+2H"	84.067652
"1591027"	1069.558228	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+K+HCOOH"	84.968628
"1417781"	1099.589738	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+H+CF3COOH"	115.000138
"1160114"	554.841901	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+3ACN+2H"	125.094202
"1710758"	1116.616285	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+NH4+CF3COOH"	132.026685
"1648594"	1121.57168	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+Na+CF3COOH"	136.98208
"1580964"	1137.54562	"C16905"	"Dolastatin 11"	"C50H80N8O12"	"984.5896"	"M+K+CF3COOH"	152.95602
"814979"	160.1	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M"	0
"985958"	141.08161	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-H2O-H"	-19.01839
"74202"	105.726057333333	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M-3H"	-3.021828
"511574"	159.092724	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M-3H"	-3.021828
"891567"	52.3593906666667	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-3H"	-3.021828
"11602"	159.092724	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M-2H"	-2.014552
"449703"	239.142724	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M-2H"	-2.014552
"823130"	79.042724	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-2H"	-2.014552
"91877"	319.192724	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M-H"	-1.007276
"527063"	479.292724	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M-H"	-1.007276
"905958"	159.092724	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-H"	-1.007276
"50492"	336.219271	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M-2H+NH4"	16.019271
"494426"	496.319271	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M-2H+NH4"	16.019271
"879038"	176.119271	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-2H+NH4"	16.019271
"42319"	341.174666	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M-2H+Na"	20.974666
"479692"	501.274666	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M-2H+Na"	20.974666
"856400"	181.074666	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-2H+Na"	20.974666
"1627026"	181.074666	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Na-2H"	20.974666
"101368"	177.081063	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M-H+Cl"	33.962126
"545302"	257.131063	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M-H+Cl"	33.962126
"932256"	97.031063	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-H+Cl"	33.962126
"276281"	355.169402	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+Cl"	34.969402
"667609"	515.269402	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+Cl"	34.969402
"1280011"	195.069402	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Cl"	34.969402
"22567"	357.148606	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M-2H+K"	36.948606
"463220"	517.248606	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M-2H+K"	36.948606
"842114"	197.048606	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-2H+K"	36.948606
"1564509"	197.048606	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+K-2H"	36.948606
"951297"	205.098194	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-H+HCOOH"	44.998194
"367326"	365.198201	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+HCOOH-H"	44.998201
"352668"	379.213851	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+Hac-H"	59.013851
"1495670"	219.113851	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Hac-H"	59.013851
"967587"	227.080151	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-H+NaCOOH"	66.980151
"116494"	195.069402	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+2Cl"	69.938804
"557148"	275.119402	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+2Cl"	69.938804
"1031415"	115.019402	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2Cl"	69.938804
"1254272"	239.018885	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Br"	78.918885
"1314536"	241.074872	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Cl+HCOOH"	80.974872
"1330939"	263.056829	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Cl+NaCOOH"	102.956829
"921998"	273.085586	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M-H+CF3COOH"	112.985586
"1294334"	309.062264	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Cl+CF3COOH"	148.962264
"1371768"	125.087324	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H-2H2O"	-35.012676
"1391087"	143.0973	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H-H2O"	-17.0027
"288587"	321.207276	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+H"	1.007276
"682100"	481.307276	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+H"	1.007276
"1362091"	161.107276	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H"	1.007276
"134621"	161.107276	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+2H"	2.014552
"573088"	241.157276	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+2H"	2.014552
"1040792"	81.057276	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2H"	2.014552
"209786"	107.740609333333	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+3H"	3.021828
"653725"	161.107276	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+3H"	3.021828
"1169661"	54.3739426666667	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+3H"	3.021828
"431840"	338.233823	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+NH4"	18.033823
"788462"	498.333823	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+NH4"	18.033823
"1686980"	178.133823	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+NH4"	18.033823
"330521"	169.6205495	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+H+NH4"	19.041099
"723342"	249.6705495	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+H+NH4"	19.041099
"1477856"	89.5705495	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H+NH4"	19.041099
"393984"	343.189218	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+Na"	22.989218
"755829"	503.289218	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+Na"	22.989218
"1606359"	183.089218	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Na"	22.989218
"317124"	172.098247	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+H+Na"	23.996494
"708453"	252.148247	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+H+Na"	23.996494
"1462513"	92.048247	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H+Na"	23.996494
"1054423"	61.7012566666667	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2H+Na"	25.00377
"1260479"	193.133486	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+CH3OH+H"	33.033486
"383430"	359.163158	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+K"	38.963158
"744425"	519.263158	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+K"	38.963158
"1549759"	199.063158	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+K"	38.963158
"303653"	180.085217	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+H+K"	39.970434
"698263"	260.135217	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+H+K"	39.970434
"1453178"	100.035217	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H+K"	39.970434
"245060"	362.233826	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+ACN+H"	42.033826
"1219955"	202.133826	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+ACN+H"	42.033826
"1197274"	101.570551	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+ACN+2H"	43.041102
"191601"	365.17116	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+2Na-H"	44.97116
"631891"	525.27116	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+2Na-H"	44.97116
"1135410"	205.07116	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2Na-H"	44.97116
"176516"	183.089218	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+2Na"	45.978436
"615102"	263.139218	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+2Na"	45.978436
"1120676"	103.039218	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2Na"	45.978436
"1403107"	69.0285706666667	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H+2Na"	46.985712
"1431942"	207.112746	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H+HCOOH"	47.012746
"224917"	188.12224	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+3H2O+2H"	56.04448
"1514072"	221.16479	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+IsoProp+H"	61.06479
"413762"	191.076188	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+Na+K"	61.952376
"775852"	271.126188	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+Na+K"	61.952376
"1672183"	111.026188	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Na+K"	61.952376
"256516"	384.215768	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+ACN+Na"	64.015768
"1231413"	224.115768	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+ACN+Na"	64.015768
"1713743"	224.139293	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+NH4+HCOOH"	64.039293
"1181284"	76.3558846666667	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+3Na"	68.967654
"1653362"	229.094688	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Na+HCOOH"	68.994688
"159493"	397.11904	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+2K-H"	76.91904
"598689"	557.21904	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+2K-H"	76.91904
"1089761"	237.01904	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2K-H"	76.91904
"144756"	199.063158	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"2M+2K"	77.926316
"582130"	279.113158	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"3M+2K"	77.926316
"1069567"	119.013158	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2K"	77.926316
"1100589"	239.033592	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2K+H"	78.933592
"1337700"	239.121207	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+DMSO+H"	79.021207
"1007324"	243.160376	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2ACN+H"	83.060376
"1526543"	244.154008	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+IsoProp+Na+H"	84.054008
"991531"	122.083826	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+2ACN+2H"	84.067652
"1591138"	245.068628	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+K+HCOOH"	84.968628
"1416798"	275.100138	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+H+CF3COOH"	115.000138
"1159854"	142.597101	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+3ACN+2H"	125.094202
"1710868"	292.126685	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+NH4+CF3COOH"	132.026685
"1648704"	297.08208	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+Na+CF3COOH"	136.98208
"1581074"	313.05602	"C16906"	"Anabaseine"	"C10H12N2"	"160.1"	"M+K+CF3COOH"	152.95602
"815452"	841.4976	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M"	0
"986068"	822.47921	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-H2O-H"	-19.01839
"76498"	559.991124	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M-3H"	-3.021828
"510591"	840.490324	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M-3H"	-3.021828
"892407"	279.491924	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-3H"	-3.021828
"11348"	840.490324	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M-2H"	-2.014552
"449813"	1261.239124	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M-2H"	-2.014552
"825428"	419.741524	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-2H"	-2.014552
"89801"	1681.987924	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M-H"	-1.007276
"524987"	2523.485524	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M-H"	-1.007276
"901696"	840.490324	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-H"	-1.007276
"50602"	1699.014471	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M-2H+NH4"	16.019271
"494537"	2540.512071	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M-2H+NH4"	16.019271
"877810"	857.516871	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-2H+NH4"	16.019271
"41336"	1703.969866	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M-2H+Na"	20.974666
"480896"	2545.467466	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M-2H+Na"	20.974666
"857604"	862.472266	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-2H+Na"	20.974666
"1627136"	862.472266	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Na-2H"	20.974666
"104760"	858.478663	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M-H+Cl"	33.962126
"546142"	1279.227463	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M-H+Cl"	33.962126
"936741"	437.729863	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-H+Cl"	33.962126
"274204"	1717.964602	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+Cl"	34.969402
"666625"	2559.462202	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+Cl"	34.969402
"1280120"	876.467002	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Cl"	34.969402
"23769"	1719.943806	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M-2H+K"	36.948606
"463330"	2561.441406	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M-2H+K"	36.948606
"840037"	878.446206	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-2H+K"	36.948606
"1560245"	878.446206	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+K-2H"	36.948606
"946303"	886.495794	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-H+HCOOH"	44.998194
"365975"	1727.993401	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+HCOOH-H"	44.998201
"350591"	1742.009051	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+Hac-H"	59.013851
"1495776"	900.511451	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Hac-H"	59.013851
"962958"	908.477751	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-H+NaCOOH"	66.980151
"115145"	876.467002	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+2Cl"	69.938804
"559445"	1297.215802	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+2Cl"	69.938804
"1033712"	455.718202	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2Cl"	69.938804
"1252196"	920.416485	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Br"	78.918885
"1315739"	922.472472	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Cl+HCOOH"	80.974872
"1332871"	944.454429	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Cl+NaCOOH"	102.956829
"923201"	954.483186	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M-H+CF3COOH"	112.985586
"1293350"	990.459864	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Cl+CF3COOH"	148.962264
"1375887"	806.484924	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H-2H2O"	-35.012676
"1392290"	824.4949	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H-H2O"	-17.0027
"291977"	1684.002476	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+H"	1.007276
"682210"	2525.500076	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+H"	1.007276
"1358556"	842.504876	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H"	1.007276
"132545"	842.504876	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+2H"	2.014552
"571011"	1263.253676	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+2H"	2.014552
"1038715"	421.756076	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2H"	2.014552
"206251"	562.005676	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+3H"	3.021828
"652742"	842.504876	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+3H"	3.021828
"1169771"	281.506476	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+3H"	3.021828
"429034"	1701.029023	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+NH4"	18.033823
"794040"	2542.526623	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+NH4"	18.033823
"1689277"	859.531423	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+NH4"	18.033823
"332819"	851.0181495	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+H+NH4"	19.041099
"723780"	1271.7669495	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+H+NH4"	19.041099
"1478695"	430.2693495	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H+NH4"	19.041099
"395918"	1705.984418	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+Na"	22.989218
"755088"	2547.482018	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+Na"	22.989218
"1607199"	864.486818	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Na"	22.989218
"319422"	853.495847	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+H+Na"	23.996494
"711844"	1274.244647	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+H+Na"	23.996494
"1463839"	432.747047	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H+Na"	23.996494
"1054533"	288.83379	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2H+Na"	25.00377
"1262775"	874.531086	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+CH3OH+H"	33.033486
"384633"	1721.958358	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+K"	38.963158
"746721"	2563.455958	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+K"	38.963158
"1549869"	880.460758	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+K"	38.963158
"303763"	861.482817	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+H+K"	39.970434
"700559"	1282.231617	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+H+K"	39.970434
"1454381"	440.734017	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H+K"	39.970434
"245169"	1725.029026	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+ACN+H"	42.033826
"1218971"	883.531426	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+ACN+H"	42.033826
"1198477"	442.269351	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+ACN+2H"	43.041102
"189888"	1727.96636	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+2Na-H"	44.97116
"630908"	2569.46396	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+2Na-H"	44.97116
"1135520"	886.46876	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2Na-H"	44.97116
"174795"	864.486818	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+2Na"	45.978436
"615212"	1285.235618	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+2Na"	45.978436
"1117747"	443.738018	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2Na"	45.978436
"1403217"	296.161104	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H+2Na"	46.985712
"1434239"	888.510346	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H+HCOOH"	47.012746
"221622"	869.51984	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+3H2O+2H"	56.04448
"1511266"	902.56239	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+IsoProp+H"	61.06479
"413872"	872.473788	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+Na+K"	61.952376
"773776"	1293.222588	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+Na+K"	61.952376
"1673386"	451.724988	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Na+K"	61.952376
"255533"	1747.010968	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+ACN+Na"	64.015768
"1229700"	905.513368	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+ACN+Na"	64.015768
"1717134"	905.536893	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+NH4+HCOOH"	64.039293
"1180665"	303.488418	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+3Na"	68.967654
"1652013"	910.492288	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Na+HCOOH"	68.994688
"160331"	1759.91424	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+2K-H"	76.91904
"599893"	2601.41184	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+2K-H"	76.91904
"1087685"	918.41664	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2K-H"	76.91904
"145595"	880.460758	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"2M+2K"	77.926316
"583333"	1301.209558	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"3M+2K"	77.926316
"1071500"	459.711958	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2K"	77.926316
"1101791"	920.431192	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2K+H"	78.933592
"1339996"	920.518807	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+DMSO+H"	79.021207
"1009256"	924.557976	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2ACN+H"	83.060376
"1528111"	925.551608	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+IsoProp+Na+H"	84.054008
"992732"	462.782626	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+2ACN+2H"	84.067652
"1588696"	926.466228	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+K+HCOOH"	84.968628
"1419095"	956.497738	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+H+CF3COOH"	115.000138
"1159964"	483.295901	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+3ACN+2H"	125.094202
"1710978"	973.524285	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+NH4+CF3COOH"	132.026685
"1647721"	978.47968	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+Na+CF3COOH"	136.98208
"1581184"	994.45362	"C16907"	"Azaspiracid"	"C47H71NO12"	"841.4976"	"M+K+CF3COOH"	152.95602
"814833"	220.1827	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M"	0
"985084"	201.16431	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"76608"	145.781190666667	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"510701"	219.175424	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"891784"	72.3869573333333	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"12916"	219.175424	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"449925"	329.266774	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"824444"	109.084074	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"91733"	439.358124	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"525097"	659.540824	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"901806"	219.175424	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"53994"	456.384671	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"492461"	676.567371	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"875733"	236.201971	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"42539"	461.340066	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"479913"	681.522766	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"859901"	241.157366	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1627247"	241.157366	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"104869"	237.163763	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"542241"	347.255113	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"936850"	127.072413	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"274312"	475.334802	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"667828"	695.517502	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1279136"	255.152102	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"22056"	477.314006	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"461253"	697.496706	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"837960"	257.131306	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1561081"	257.131306	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"948600"	265.180894	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"366085"	485.363601	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"348878"	499.379251	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1495522"	279.196551	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"963434"	287.162851	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"115619"	255.152102	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"559555"	365.243452	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1032729"	145.060752	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1247203"	299.101585	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1311475"	301.157572	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1331158"	323.139529	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"921126"	333.168286	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1294919"	369.144964	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1373810"	185.170024	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1391306"	203.18	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"290993"	441.372676	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"684505"	661.555376	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1355750"	221.189976	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H"	1.007276
"127180"	221.189976	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"568933"	331.281326	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1038460"	111.098626	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"208913"	147.795742666667	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"652851"	221.189976	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1170973"	74.4015093333333	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"430968"	458.399223	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"795244"	678.581923	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1689386"	238.216523	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"332565"	229.7032495	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"723891"	339.7945995	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1478199"	119.6118995	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"396029"	463.354618	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"754428"	683.537318	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1607309"	243.171918	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"316494"	232.180947	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"709767"	342.272297	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1464314"	122.089597	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1057926"	81.7288233333333	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1266166"	253.216186	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"388022"	479.328558	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"749017"	699.511258	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1547792"	259.145858	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+K"	38.963158
"303873"	240.167917	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"700669"	350.259267	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1456678"	130.076567	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"244185"	482.399226	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1216894"	262.216526	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1196764"	131.611901	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"190363"	485.33656	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"630653"	705.51926	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1133070"	265.15386	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"173812"	243.171918	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"614102"	353.263268	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1115910"	133.080568	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1402234"	89.0561373333333	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1432162"	267.195446	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"221126"	248.20494	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1510280"	281.24749	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417263"	251.158888	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"780447"	361.250238	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1673496"	141.067538	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"256737"	504.381168	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1229446"	284.198468	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1721617"	284.221993	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1182597"	96.3834513333333	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1651395"	289.177388	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"160442"	517.28444	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"600367"	737.46714	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1086701"	297.10174	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"145705"	259.145858	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"583079"	369.237208	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1070515"	149.054508	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1104087"	299.116292	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1339742"	299.203907	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1009366"	303.243076	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1529315"	304.236708	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"994670"	152.125176	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1588563"	305.151328	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1416045"	335.182838	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1147916"	172.638451	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1709995"	352.209385	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1647831"	357.16478	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1581294"	373.13872	"C16908"	"Caryophyllene epoxide;Caryophyllene oxide"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"815795"	154.1358	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M"	0
"985194"	135.11741	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"75625"	101.749924	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"514091"	153.128524	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"891894"	50.371324	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"9382"	153.128524	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"450036"	230.196424	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"822367"	76.060624	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"91115"	307.264324	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"527396"	461.400124	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"901917"	153.128524	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"55199"	324.290871	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"492572"	478.426671	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"878030"	170.155071	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"45565"	329.246266	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"480023"	483.382066	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"860740"	175.110466	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1627358"	175.110466	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"100605"	171.116863	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"540164"	248.184763	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"936961"	94.048963	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"273329"	343.241002	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"666113"	497.376802	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1280340"	189.105202	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"20342"	345.220206	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"461724"	499.356006	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"839528"	191.084406	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1562284"	191.084406	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"949074"	199.133994	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"364375"	353.269801	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"350082"	367.285451	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1495997"	213.149651	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"963542"	221.115951	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"119011"	189.105202	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"556748"	266.173102	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1028463"	112.037302	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1251323"	233.054685	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1310856"	235.110672	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1330178"	257.092629	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"919047"	267.121386	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1294665"	303.098064	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1372097"	119.123124	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1391415"	137.1331	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"291103"	309.278876	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"683523"	463.414676	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1358778"	155.143076	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H"	1.007276
"130572"	155.143076	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"571232"	232.210976	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1039299"	78.075176	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"209023"	103.764476	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"652962"	155.143076	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1171083"	52.385876	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"432173"	326.305423	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"794263"	480.441223	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1691684"	172.169623	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"334498"	163.6563495	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"724732"	240.7242495	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1481833"	86.5884495	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"398325"	331.260818	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"755310"	485.396618	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1608512"	177.125018	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"316363"	166.134047	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"710972"	243.201947	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1464790"	89.066147	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1061316"	59.71319	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1270651"	187.169286	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"385945"	347.234758	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"748035"	501.370558	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1550089"	193.098958	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+K"	38.963158
"308359"	174.121017	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"699686"	251.188917	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1455695"	97.053117	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"246117"	350.305426	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1218097"	196.169626	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1196510"	98.588451	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"189096"	353.24276	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"631494"	507.37856	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1132450"	199.10696	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"175382"	177.125018	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"615305"	254.192918	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1115648"	100.057118	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1401615"	67.040504	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1432636"	201.148546	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"221600"	182.15804	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1509297"	215.20059	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"410077"	185.111988	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"772537"	262.179888	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1670690"	108.044088	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"256848"	372.287368	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1230650"	218.151568	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1720634"	218.175093	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1185987"	74.367818	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1652230"	223.130488	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"160552"	385.19064	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"600113"	539.32644	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1086447"	231.05484	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"145815"	193.098958	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"584282"	270.166858	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1070989"	116.031058	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1103468"	233.069392	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1339488"	233.157007	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1009476"	237.196176	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1529425"	238.189808	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"993687"	119.101726	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1588309"	239.104428	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1414453"	269.135938	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1147784"	139.615001	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1709011"	286.162485	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1647941"	291.11788	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1581404"	307.09182	"C16909"	"14-Cineole;14-Epoxy-p-menthane"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"811773"	397.1292	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M"	0
"988589"	378.11081	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-H2O-H"	-19.01839
"75742"	263.745524	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M-3H"	-3.021828
"509835"	396.121924	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M-3H"	-3.021828
"890918"	131.369124	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-3H"	-3.021828
"11316"	396.121924	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M-2H"	-2.014552
"449053"	594.686524	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M-2H"	-2.014552
"826856"	197.557324	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-2H"	-2.014552
"89039"	793.251124	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M-H"	-1.007276
"526412"	1190.380324	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M-H"	-1.007276
"902026"	396.121924	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-H"	-1.007276
"53123"	810.277671	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M-2H+NH4"	16.019271
"498151"	1207.406871	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M-2H+NH4"	16.019271
"872672"	413.148471	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-2H+NH4"	16.019271
"42759"	815.233066	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M-2H+Na"	20.974666
"480133"	1212.362266	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M-2H+Na"	20.974666
"859028"	418.103866	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-2H+Na"	20.974666
"1628561"	418.103866	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Na-2H"	20.974666
"99622"	414.110263	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M-H+Cl"	33.962126
"540275"	612.674863	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M-H+Cl"	33.962126
"935978"	215.545663	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-H+Cl"	33.962126
"275629"	829.227802	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+Cl"	34.969402
"670967"	1226.357002	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+Cl"	34.969402
"1283734"	432.098602	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Cl"	34.969402
"24103"	831.207006	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M-2H+K"	36.948606
"464754"	1228.336206	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M-2H+K"	36.948606
"838179"	434.077806	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-2H+K"	36.948606
"1561304"	434.077806	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+K-2H"	36.948606
"949555"	442.127394	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-H+HCOOH"	44.998194
"367404"	839.256601	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+HCOOH-H"	44.998201
"347640"	853.272251	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+Hac-H"	59.013851
"1494288"	456.143051	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Hac-H"	59.013851
"962194"	464.109351	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-H+NaCOOH"	66.980151
"112924"	432.098602	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+2Cl"	69.938804
"551755"	630.663202	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+2Cl"	69.938804
"1022377"	233.534002	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2Cl"	69.938804
"1247426"	476.048085	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Br"	78.918885
"1306104"	478.104072	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Cl+HCOOH"	80.974872
"1323726"	500.086029	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Cl+NaCOOH"	102.956829
"915874"	510.114786	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M-H+CF3COOH"	112.985586
"1294770"	546.091464	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Cl+CF3COOH"	148.962264
"1370015"	362.116524	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H-2H2O"	-35.012676
"1387147"	380.1265	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H-H2O"	-17.0027
"287928"	795.265676	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+H"	1.007276
"683630"	1192.394876	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+H"	1.007276
"1355607"	398.136476	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H"	1.007276
"129595"	398.136476	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+2H"	2.014552
"573530"	596.701076	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+2H"	2.014552
"1047796"	199.571876	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2H"	2.014552
"210232"	265.760076	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+3H"	3.021828
"650883"	398.136476	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+3H"	3.021828
"1169009"	133.383676	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+3H"	3.021828
"429001"	812.292223	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+NH4"	18.033823
"787815"	1209.421423	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+NH4"	18.033823
"1690708"	415.163023	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+NH4"	18.033823
"338986"	406.6497495	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+H+NH4"	19.041099
"727033"	605.2143495	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+H+NH4"	19.041099
"1477160"	208.0851495	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H+NH4"	19.041099
"401713"	817.247618	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+Na"	22.989218
"759429"	1214.376818	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+Na"	22.989218
"1604245"	420.118418	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Na"	22.989218
"316471"	409.127447	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+H+Na"	23.996494
"711078"	607.692047	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+H+Na"	23.996494
"1465266"	210.562847	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H+Na"	23.996494
"1054015"	140.71099	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2H+Na"	25.00377
"1262014"	430.162686	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+CH3OH+H"	33.033486
"384965"	833.221558	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+K"	38.963158
"744866"	1230.350758	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+K"	38.963158
"1546919"	436.092358	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+K"	38.963158
"308470"	417.114417	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+H+K"	39.970434
"695786"	615.679017	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+H+K"	39.970434
"1453618"	218.549817	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H+K"	39.970434
"242218"	836.292226	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+ACN+H"	42.033826
"1214194"	439.163026	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+ACN+H"	42.033826
"1198809"	220.085151	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+ACN+2H"	43.041102
"190586"	839.22956	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+2Na-H"	44.97116
"630507"	1236.35876	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+2Na-H"	44.97116
"1132567"	442.10036	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2Na-H"	44.97116
"174768"	420.118418	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+2Na"	45.978436
"615059"	618.683018	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+2Na"	45.978436
"1118929"	221.553818	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2Na"	45.978436
"1401724"	148.038304	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H+2Na"	46.985712
"1432019"	444.141946	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H+HCOOH"	47.012746
"223172"	425.15144	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+3H2O+2H"	56.04448
"1514519"	458.19399	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+IsoProp+H"	61.06479
"414209"	428.105388	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+Na+K"	61.952376
"780673"	626.669988	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+Na+K"	61.952376
"1677003"	229.540788	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Na+K"	61.952376
"263522"	858.274168	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+ACN+Na"	64.015768
"1231859"	461.144968	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+ACN+Na"	64.015768
"1716371"	461.168493	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+NH4+HCOOH"	64.039293
"1181725"	155.365618	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+3Na"	68.967654
"1655991"	466.123888	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Na+HCOOH"	68.994688
"157873"	871.17744	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+2K-H"	76.91904
"597555"	1268.30664	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+2K-H"	76.91904
"1087293"	474.04824	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2K-H"	76.91904
"142164"	436.092358	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"2M+2K"	77.926316
"583427"	634.656958	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"3M+2K"	77.926316
"1074383"	237.527758	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2K"	77.926316
"1108687"	476.062792	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2K+H"	78.933592
"1341792"	476.150407	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+DMSO+H"	79.021207
"1009228"	480.189576	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2ACN+H"	83.060376
"1532821"	481.183208	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+IsoProp+Na+H"	84.054008
"995988"	240.598426	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+2ACN+2H"	84.067652
"1593773"	482.097828	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+K+HCOOH"	84.968628
"1426724"	512.129338	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+H+CF3COOH"	115.000138
"1158469"	261.111701	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+3ACN+2H"	125.094202
"1702554"	529.155885	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+NH4+CF3COOH"	132.026685
"1643674"	534.11128	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+Na+CF3COOH"	136.98208
"1581514"	550.08522	"C16910"	"Acutumine"	"C19H24ClNO6"	"397.1292"	"M+K+CF3COOH"	152.95602
"811885"	432.1056	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M"	0
"987606"	413.08721	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-H2O-H"	-19.01839
"73662"	287.063124	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M-3H"	-3.021828
"509944"	431.098324	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M-3H"	-3.021828
"892854"	143.027924	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-3H"	-3.021828
"9603"	431.098324	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M-2H"	-2.014552
"450258"	647.151124	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M-2H"	-2.014552
"830252"	215.045524	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-2H"	-2.014552
"91337"	863.203924	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M-H"	-1.007276
"525429"	1295.309524	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M-H"	-1.007276
"908460"	431.098324	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-H"	-1.007276
"58701"	880.230471	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M-2H+NH4"	16.019271
"499964"	1312.336071	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M-2H+NH4"	16.019271
"870595"	448.124871	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-2H+NH4"	16.019271
"44935"	885.185866	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M-2H+Na"	20.974666
"482430"	1317.291466	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M-2H+Na"	20.974666
"858044"	453.080266	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-2H+Na"	20.974666
"1631952"	453.080266	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Na-2H"	20.974666
"103014"	449.086663	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M-H+Cl"	33.962126
"542575"	665.139463	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M-H+Cl"	33.962126
"934997"	233.033863	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-H+Cl"	33.962126
"272457"	899.180602	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+Cl"	34.969402
"668162"	1331.286202	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+Cl"	34.969402
"1279105"	467.075002	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Cl"	34.969402
"25310"	901.159806	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M-2H+K"	36.948606
"462681"	1333.265406	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M-2H+K"	36.948606
"839020"	469.054206	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-2H+K"	36.948606
"1562878"	469.054206	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+K-2H"	36.948606
"951856"	477.103794	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-H+HCOOH"	44.998194
"365697"	909.209401	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+HCOOH-H"	44.998201
"348481"	923.225051	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+Hac-H"	59.013851
"1497316"	491.119451	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Hac-H"	59.013851
"959388"	499.085751	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-H+NaCOOH"	66.980151
"111212"	467.075002	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+2Cl"	69.938804
"556242"	683.127802	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+2Cl"	69.938804
"1025771"	251.022202	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2Cl"	69.938804
"1249361"	511.024485	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Br"	78.918885
"1310716"	513.080472	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Cl+HCOOH"	80.974872
"1332585"	535.062429	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Cl+NaCOOH"	102.956829
"919271"	545.091186	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M-H+CF3COOH"	112.985586
"1294887"	581.067864	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Cl+CF3COOH"	148.962264
"1373048"	397.092924	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H-2H2O"	-35.012676
"1386898"	415.1029	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H-H2O"	-17.0027
"294606"	865.218476	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+H"	1.007276
"687029"	1297.324076	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+H"	1.007276
"1363378"	433.112876	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H"	1.007276
"134080"	433.112876	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+2H"	2.014552
"576922"	649.165676	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+2H"	2.014552
"1047912"	217.060076	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2H"	2.014552
"211439"	289.077676	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+3H"	3.021828
"651000"	433.112876	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+3H"	3.021828
"1171312"	145.042476	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+3H"	3.021828
"433492"	882.245023	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+NH4"	18.033823
"796676"	1314.350623	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+NH4"	18.033823
"1688631"	450.139423	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+NH4"	18.033823
"335813"	441.6261495	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+H+NH4"	19.041099
"726050"	657.6789495	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+H+NH4"	19.041099
"1484240"	225.5733495	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H+NH4"	19.041099
"396357"	887.200418	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+Na"	22.989218
"756260"	1319.306018	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+Na"	22.989218
"1606549"	455.094818	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Na"	22.989218
"316950"	444.103847	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+H+Na"	23.996494
"709126"	660.156647	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+H+Na"	23.996494
"1463919"	228.051047	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H+Na"	23.996494
"1062635"	152.36979	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2H+Na"	25.00377
"1266502"	465.139086	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+CH3OH+H"	33.033486
"387265"	903.174358	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+K"	38.963158
"748258"	1335.279958	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+K"	38.963158
"1542290"	471.068758	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+K"	38.963158
"306394"	452.090817	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+H+K"	39.970434
"697722"	668.143617	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+H+K"	39.970434
"1448622"	236.038017	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H+K"	39.970434
"238317"	906.245026	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+ACN+H"	42.033826
"1212489"	474.139426	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+ACN+H"	42.033826
"1196128"	237.573351	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+ACN+2H"	43.041102
"191799"	909.18236	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+2Na-H"	44.97116
"635738"	1341.28796	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+2Na-H"	44.97116
"1138151"	477.07676	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2Na-H"	44.97116
"177799"	455.094818	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+2Na"	45.978436
"615170"	671.147618	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+2Na"	45.978436
"1121591"	239.042018	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2Na"	45.978436
"1405116"	159.697104	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H+2Na"	46.985712
"1437967"	479.118346	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H+HCOOH"	47.012746
"233131"	460.12784	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+3H2O+2H"	56.04448
"1520101"	493.17039	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+IsoProp+H"	61.06479
"418693"	463.081788	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+Na+K"	61.952376
"777503"	679.134588	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+Na+K"	61.952376
"1680280"	247.028988	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Na+K"	61.952376
"266309"	928.226968	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+ACN+Na"	64.015768
"1240840"	496.121368	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+ACN+Na"	64.015768
"1716486"	496.144893	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+NH4+HCOOH"	64.039293
"1184028"	167.024418	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+3Na"	68.967654
"1658295"	501.100288	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Na+HCOOH"	68.994688
"166983"	941.13024	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+2K-H"	76.91904
"601444"	1373.23584	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+2K-H"	76.91904
"1096521"	509.02464	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2K-H"	76.91904
"148968"	471.068758	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"2M+2K"	77.926316
"589983"	687.121558	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"3M+2K"	77.926316
"1074498"	255.015958	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2K"	77.926316
"1105525"	511.039192	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2K+H"	78.933592
"1341909"	511.126807	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+DMSO+H"	79.021207
"1011535"	515.165976	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2ACN+H"	83.060376
"1530751"	516.159608	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+IsoProp+Na+H"	84.054008
"998294"	258.086626	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+2ACN+2H"	84.067652
"1594982"	517.074228	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+K+HCOOH"	84.968628
"1428295"	547.105738	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+H+CF3COOH"	115.000138
"1160767"	278.599901	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+3ACN+2H"	125.094202
"1705945"	564.132285	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+NH4+CF3COOH"	132.026685
"1640506"	569.08768	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+Na+CF3COOH"	136.98208
"1581624"	585.06162	"C16911"	"Afzelin;Kaempferin;Kaempferol 3-O-alpha-L-rhamnoside"	"C21H20O10"	"432.1056"	"M+K+CF3COOH"	152.95602
"815273"	472.3553	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M"	0
"985525"	453.33691	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-H2O-H"	-19.01839
"74861"	313.896257333333	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M-3H"	-3.021828
"510053"	471.348024	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M-3H"	-3.021828
"891137"	156.444490666667	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-3H"	-3.021828
"12994"	471.348024	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M-2H"	-2.014552
"451462"	707.525674	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M-2H"	-2.014552
"831215"	235.170374	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-2H"	-2.014552
"91448"	943.703324	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M-H"	-1.007276
"527727"	1416.058624	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M-H"	-1.007276
"907719"	471.348024	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-H"	-1.007276
"58811"	960.729871	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M-2H+NH4"	16.019271
"499465"	1433.085171	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M-2H+NH4"	16.019271
"872891"	488.374571	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-2H+NH4"	16.019271
"44925"	965.685266	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M-2H+Na"	20.974666
"483634"	1438.040566	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M-2H+Na"	20.974666
"859248"	493.329966	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-2H+Na"	20.974666
"1628781"	493.329966	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Na-2H"	20.974666
"106404"	489.336363	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M-H+Cl"	33.962126
"545965"	725.514013	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M-H+Cl"	33.962126
"938386"	253.158713	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-H+Cl"	33.962126
"274756"	979.680002	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+Cl"	34.969402
"670458"	1452.035302	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+Cl"	34.969402
"1281768"	507.324702	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Cl"	34.969402
"25419"	981.659206	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M-2H+K"	36.948606
"466070"	1454.014506	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M-2H+K"	36.948606
"842778"	509.303906	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-2H+K"	36.948606
"1566268"	509.303906	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+K-2H"	36.948606
"953058"	517.353494	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-H+HCOOH"	44.998194
"370180"	989.708801	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+HCOOH-H"	44.998201
"350414"	1003.724451	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+Hac-H"	59.013851
"1496330"	531.369151	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Hac-H"	59.013851
"959982"	539.335451	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-H+NaCOOH"	66.980151
"111441"	507.324702	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+2Cl"	69.938804
"550513"	743.502352	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+2Cl"	69.938804
"1023327"	271.147052	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2Cl"	69.938804
"1245094"	551.274185	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Br"	78.918885
"1308635"	553.330172	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Cl+HCOOH"	80.974872
"1327226"	575.312129	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Cl+NaCOOH"	102.956829
"913911"	585.340886	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M-H+CF3COOH"	112.985586
"1292078"	621.317564	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Cl+CF3COOH"	148.962264
"1373157"	437.342624	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H-2H2O"	-35.012676
"1385182"	455.3526	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H-H2O"	-17.0027
"287059"	945.717876	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+H"	1.007276
"689325"	1418.073176	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+H"	1.007276
"1363488"	473.362576	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H"	1.007276
"140266"	473.362576	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+2H"	2.014552
"580313"	709.540226	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+2H"	2.014552
"1045835"	237.184926	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2H"	2.014552
"211549"	315.910809333333	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+3H"	3.021828
"652203"	473.362576	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+3H"	3.021828
"1172516"	158.459042666667	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+3H"	3.021828
"435789"	962.744423	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+NH4"	18.033823
"797879"	1435.099723	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+NH4"	18.033823
"1688741"	490.389123	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+NH4"	18.033823
"334830"	481.8758495	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+H+NH4"	19.041099
"726160"	718.0534995	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+H+NH4"	19.041099
"1482164"	245.6981995	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H+NH4"	19.041099
"396468"	967.699818	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+Na"	22.989218
"759650"	1440.055118	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+Na"	22.989218
"1606659"	495.344518	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Na"	22.989218
"318882"	484.353547	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+H+Na"	23.996494
"712396"	720.531197	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+H+Na"	23.996494
"1468403"	248.175897	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H+Na"	23.996494
"1064932"	165.786356666667	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2H+Na"	25.00377
"1264426"	505.388786	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+CH3OH+H"	33.033486
"388468"	983.673758	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+K"	38.963158
"747274"	1456.029058	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+K"	38.963158
"1543860"	511.318458	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+K"	38.963158
"306504"	492.340517	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+H+K"	39.970434
"698926"	728.518167	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+H+K"	39.970434
"1453837"	256.162867	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H+K"	39.970434
"239157"	986.744426	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+ACN+H"	42.033826
"1211871"	514.389126	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+ACN+H"	42.033826
"1196117"	257.698201	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+ACN+2H"	43.041102
"191180"	989.68176	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+2Na-H"	44.97116
"634755"	1462.03706	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+2Na-H"	44.97116
"1136804"	517.32646	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2Na-H"	44.97116
"177906"	495.344518	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+2Na"	45.978436
"618561"	731.522168	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+2Na"	45.978436
"1117325"	259.166868	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2Na"	45.978436
"1405954"	173.113670666667	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H+2Na"	46.985712
"1435158"	519.368046	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H+HCOOH"	47.012746
"227774"	500.37754	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+3H2O+2H"	56.04448
"1522033"	533.42009	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+H"	61.06479
"415523"	503.331488	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+Na+K"	61.952376
"777613"	739.509138	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+Na+K"	61.952376
"1681073"	267.153838	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Na+K"	61.952376
"266784"	1008.726368	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+ACN+Na"	64.015768
"1239733"	536.371068	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+ACN+Na"	64.015768
"1719876"	536.394593	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+NH4+HCOOH"	64.039293
"1184138"	180.440984666667	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+3Na"	68.967654
"1661685"	541.349988	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Na+HCOOH"	68.994688
"165267"	1021.62964	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+2K-H"	76.91904
"606655"	1493.98494	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+2K-H"	76.91904
"1093714"	549.27434	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2K-H"	76.91904
"150537"	511.318458	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"2M+2K"	77.926316
"589000"	747.496108	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"3M+2K"	77.926316
"1073516"	275.140808	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2K"	77.926316
"1110008"	551.288892	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2K+H"	78.933592
"1344935"	551.376507	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+DMSO+H"	79.021207
"1015653"	555.415676	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2ACN+H"	83.060376
"1534505"	556.409308	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+Na+H"	84.054008
"1000226"	278.211476	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+2ACN+2H"	84.067652
"1597278"	557.323928	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+K+HCOOH"	84.968628
"1428770"	587.355438	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+H+CF3COOH"	115.000138
"1159784"	298.724751	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+3ACN+2H"	125.094202
"1709335"	604.381985	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+NH4+CF3COOH"	132.026685
"1640616"	609.33738	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+Na+CF3COOH"	136.98208
"1581734"	625.31132	"C16912"	"Alphitolic acid;2alpha-Hydroxybetulinic acid"	"C30H48O4"	"472.3553"	"M+K+CF3COOH"	152.95602
"815383"	192.0423	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M"	0
"985635"	173.02391	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"74971"	127.020924	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"510163"	191.035024	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"885774"	63.006824	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"9821"	191.035024	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"447195"	287.056174	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"830472"	95.013874	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"91557"	383.077324	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"528930"	575.119624	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"907827"	191.035024	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"54547"	400.103871	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"494107"	592.146171	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"871907"	208.061571	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"40902"	405.059266	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"484836"	597.101566	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"858264"	213.016966	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1628891"	213.016966	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"104327"	209.023363	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"546075"	305.044513	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"937402"	113.002213	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"274866"	419.054002	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"669474"	611.096302	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1281877"	227.011702	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"25529"	421.033206	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"467273"	613.075506	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"842886"	228.990906	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1565284"	228.990906	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"946607"	237.040494	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"369195"	429.082801	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"348703"	443.098451	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1495350"	251.056151	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"960338"	259.022451	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"112161"	227.011702	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"556824"	323.032852	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1024892"	130.990552	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1246297"	270.961185	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1308016"	273.017172	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1326242"	294.999129	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"916206"	305.027886	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1297288"	341.004564	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1371075"	157.029624	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1382895"	175.0396	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"287169"	385.091876	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"689435"	577.134176	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1357036"	193.049576	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"138674"	193.049576	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"576779"	289.070726	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1045945"	97.028426	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"213846"	129.035476	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"652313"	193.049576	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1172626"	65.021376	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"435899"	402.118423	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"799083"	594.160723	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1688851"	210.076123	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"334940"	201.5628495	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"727727"	297.5839995	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1482274"	105.5416995	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"396578"	407.073818	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"759760"	599.116118	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1608955"	215.031518	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"318992"	204.040547	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"711776"	300.061697	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1469605"	108.019397	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1062855"	72.34869	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1264536"	225.075786	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"387485"	423.047758	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"747386"	615.090058	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1543969"	231.005458	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"306613"	212.027517	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"699034"	308.048667	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1452854"	116.006367	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"239632"	426.118426	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1211981"	234.076126	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1197320"	117.541701	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"192019"	429.05576	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"631949"	621.09806	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1136914"	237.01346	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"176923"	215.031518	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"618671"	311.052668	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1117921"	119.010368	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1402055"	79.676004	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1435632"	239.055046	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"225693"	220.06454	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1519227"	253.10709	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"417820"	223.018488	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"774442"	319.039638	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1677333"	126.997338	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"260573"	448.100368	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1232189"	256.058068	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1718526"	256.081593	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1181694"	87.003318	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1653775"	261.036988	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"165377"	461.00364	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"607124"	653.04594	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1094917"	268.96134	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"152468"	231.005458	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"588017"	327.026608	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1074719"	134.984308	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1110847"	270.975892	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1347595"	271.063507	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1017219"	275.102676	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1534250"	276.096308	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"1002158"	138.054976	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1597388"	277.010928	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1427421"	307.042438	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1159894"	158.568251	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1706165"	324.068985	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1640726"	329.02438	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1581844"	344.99832	"C16913"	"Anemonin;Pulsatilla camphor"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"815493"	316.0947	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M"	0
"985745"	297.07631	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-H2O-H"	-19.01839
"75081"	209.722524	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M-3H"	-3.021828
"511367"	315.087424	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M-3H"	-3.021828
"886980"	104.357624	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-3H"	-3.021828
"6649"	315.087424	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M-2H"	-2.014552
"447305"	473.134774	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M-2H"	-2.014552
"832609"	157.040074	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-2H"	-2.014552
"85106"	631.182124	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M-H"	-1.007276
"525758"	947.276824	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M-H"	-1.007276
"904656"	315.087424	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-H"	-1.007276
"52470"	648.208671	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M-2H+NH4"	16.019271
"493123"	964.303371	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M-2H+NH4"	16.019271
"872017"	332.113971	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-2H+NH4"	16.019271
"42106"	653.164066	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M-2H+Na"	20.974666
"483732"	969.258766	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M-2H+Na"	20.974666
"859467"	337.069366	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-2H+Na"	20.974666
"1633375"	337.069366	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Na-2H"	20.974666
"105529"	333.075763	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M-H+Cl"	33.962126
"542903"	491.123113	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M-H+Cl"	33.962126
"937514"	175.028413	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-H+Cl"	33.962126
"276070"	667.158802	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+Cl"	34.969402
"669584"	983.253502	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+Cl"	34.969402
"1284174"	351.064102	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Cl"	34.969402
"27825"	669.138006	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M-2H+K"	36.948606
"469205"	985.232706	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M-2H+K"	36.948606
"844090"	353.043306	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-2H+K"	36.948606
"1565394"	353.043306	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+K-2H"	36.948606
"949997"	361.092894	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-H+HCOOH"	44.998194
"371492"	677.187601	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+HCOOH-H"	44.998201
"348814"	691.203251	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+Hac-H"	59.013851
"1495461"	375.108551	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Hac-H"	59.013851
"963001"	383.074851	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-H+NaCOOH"	66.980151
"111177"	351.064102	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+2Cl"	69.938804
"556935"	509.111452	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+2Cl"	69.938804
"1024642"	193.016752	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2Cl"	69.938804
"1244219"	395.013585	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Br"	78.918885
"1305574"	397.069572	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Cl+HCOOH"	80.974872
"1327446"	419.051529	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Cl+NaCOOH"	102.956829
"922877"	429.080286	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M-H+CF3COOH"	112.985586
"1298492"	465.056964	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Cl+CF3COOH"	148.962264
"1373373"	281.082024	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H-2H2O"	-35.012676
"1385038"	299.092	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H-H2O"	-17.0027
"290560"	633.196676	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+H"	1.007276
"685171"	949.291376	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+H"	1.007276
"1360428"	317.101976	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H"	1.007276
"134409"	317.101976	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+2H"	2.014552
"575065"	475.149326	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+2H"	2.014552
"1049335"	159.054626	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2H"	2.014552
"217237"	211.737076	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+3H"	3.021828
"655704"	317.101976	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+3H"	3.021828
"1172736"	106.372176	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+3H"	3.021828
"436009"	650.223223	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+NH4"	18.033823
"799193"	966.317923	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+NH4"	18.033823
"1691148"	334.128523	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+NH4"	18.033823
"336143"	325.6152495	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+H+NH4"	19.041099
"728566"	483.6625995	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+H+NH4"	19.041099
"1483477"	167.5678995	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H+NH4"	19.041099
"395596"	655.178618	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+Na"	22.989218
"757686"	971.273318	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+Na"	22.989218
"1606880"	339.083918	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Na"	22.989218
"320196"	328.092947	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+H+Na"	23.996494
"714806"	486.140297	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+H+Na"	23.996494
"1473001"	170.045597	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H+Na"	23.996494
"1061873"	113.69949	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2H+Na"	25.00377
"1264645"	349.128186	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+CH3OH+H"	33.033486
"389781"	671.152558	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+K"	38.963158
"749684"	987.247258	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+K"	38.963158
"1546994"	355.057858	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+K"	38.963158
"304534"	336.079917	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+H+K"	39.970434
"701330"	494.127267	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+H+K"	39.970434
"1450046"	178.032567	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H+K"	39.970434
"241565"	674.223226	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+ACN+H"	42.033826
"1211001"	358.128526	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+ACN+H"	42.033826
"1195976"	179.567901	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+ACN+2H"	43.041102
"191036"	677.16056	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+2Na-H"	44.97116
"633882"	993.25526	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+2Na-H"	44.97116
"1139940"	361.06586	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2Na-H"	44.97116
"178856"	339.083918	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+2Na"	45.978436
"622427"	497.131268	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+2Na"	45.978436
"1118641"	181.036568	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2Na"	45.978436
"1400464"	121.026804	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H+2Na"	46.985712
"1435016"	363.107446	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H+HCOOH"	47.012746
"232364"	344.11694	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+3H2O+2H"	56.04448
"1521524"	377.15949	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+IsoProp+H"	61.06479
"423397"	347.070888	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+Na+K"	61.952376
"775646"	505.118238	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+Na+K"	61.952376
"1674163"	189.023538	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Na+K"	61.952376
"260683"	696.205168	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+ACN+Na"	64.015768
"1238859"	380.110468	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+ACN+Na"	64.015768
"1718272"	380.133993	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+NH4+HCOOH"	64.039293
"1181439"	128.354118	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+3Na"	68.967654
"1653885"	385.089388	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Na+HCOOH"	68.994688
"163300"	709.10844	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+2K-H"	76.91904
"601400"	1025.20314	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+2K-H"	76.91904
"1091747"	393.01374	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2K-H"	76.91904
"151850"	355.057858	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"2M+2K"	77.926316
"593233"	513.105208	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"3M+2K"	77.926316
"1079204"	197.010508	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2K"	77.926316
"1113507"	395.028292	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2K+H"	78.933592
"1346612"	395.115907	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+DMSO+H"	79.021207
"1015140"	399.155076	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2ACN+H"	83.060376
"1534360"	400.148708	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+IsoProp+Na+H"	84.054008
"1004819"	200.081176	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+2ACN+2H"	84.067652
"1597499"	401.063328	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+K+HCOOH"	84.968628
"1426438"	431.094838	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+H+CF3COOH"	115.000138
"1160004"	220.594451	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+3ACN+2H"	125.094202
"1706275"	448.121385	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+NH4+CF3COOH"	132.026685
"1640836"	453.07678	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+Na+CF3COOH"	136.98208
"1581954"	469.05072	"C16914"	"Isobyakangelicol;Anhydrobyakangelicin"	"C17H16O6"	"316.0947"	"M+K+CF3COOH"	152.95602
"815239"	534.2101	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M"	0
"985855"	515.19171	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-H2O-H"	-19.01839
"75191"	355.132790666667	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M-3H"	-3.021828
"510379"	533.202824	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M-3H"	-3.021828
"883810"	177.062757333333	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-3H"	-3.021828
"3478"	533.202824	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M-2H"	-2.014552
"445225"	800.307874	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M-2H"	-2.014552
"830692"	266.097774	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-2H"	-2.014552
"85216"	1067.412924	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M-H"	-1.007276
"524776"	1601.623024	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M-H"	-1.007276
"901486"	533.202824	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-H"	-1.007276
"52580"	1084.439471	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M-2H+NH4"	16.019271
"494326"	1618.649571	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M-2H+NH4"	16.019271
"871034"	550.229371	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-2H+NH4"	16.019271
"38936"	1089.394866	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M-2H+Na"	20.974666
"482870"	1623.604966	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M-2H+Na"	20.974666
"858483"	555.184766	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-2H+Na"	20.974666
"1630204"	555.184766	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Na-2H"	20.974666
"103454"	551.191163	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M-H+Cl"	33.962126
"544107"	818.296213	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M-H+Cl"	33.962126
"935437"	284.086113	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-H+Cl"	33.962126
"271077"	1103.389602	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+Cl"	34.969402
"666414"	1637.599702	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+Cl"	34.969402
"1286837"	569.179502	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Cl"	34.969402
"29758"	1105.368806	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M-2H+K"	36.948606
"467491"	1639.578906	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M-2H+K"	36.948606
"843106"	571.158706	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-2H+K"	36.948606
"1562224"	571.158706	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+K-2H"	36.948606
"946827"	579.208294	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-H+HCOOH"	44.998194
"369415"	1113.418401	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+HCOOH-H"	44.998201
"347832"	1127.434051	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+Hac-H"	59.013851
"1493383"	593.223951	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Hac-H"	59.013851
"959828"	601.190251	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-H+NaCOOH"	66.980151
"111284"	569.179502	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+2Cl"	69.938804
"552304"	836.284552	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+2Cl"	69.938804
"1030218"	302.074452	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2Cl"	69.938804
"1244691"	613.128985	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Br"	78.918885
"1305802"	615.184972	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Cl+HCOOH"	80.974872
"1326462"	637.166929	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Cl+NaCOOH"	102.956829
"922623"	647.195686	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M-H+CF3COOH"	112.985586
"1299696"	683.172364	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Cl+CF3COOH"	148.962264
"1372389"	499.197424	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H-2H2O"	-35.012676
"1384053"	517.2074	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H-H2O"	-17.0027
"285200"	1069.427476	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+H"	1.007276
"676287"	1603.637576	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+H"	1.007276
"1361629"	535.217376	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H"	1.007276
"133425"	535.217376	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+2H"	2.014552
"574082"	802.322426	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+2H"	2.014552
"1049445"	268.112326	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2H"	2.014552
"215161"	357.147342666667	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+3H"	3.021828
"656908"	535.217376	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+3H"	3.021828
"1172846"	179.077309333333	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+3H"	3.021828
"436119"	1086.454023	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+NH4"	18.033823
"798939"	1620.664123	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+NH4"	18.033823
"1691258"	552.243923	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+NH4"	18.033823
"338439"	543.7306495	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+H+NH4"	19.041099
"728676"	810.8356995	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+H+NH4"	19.041099
"1485774"	276.6255995	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H+NH4"	19.041099
"400081"	1091.409418	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+Na"	22.989218
"759984"	1625.619518	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+Na"	22.989218
"1610270"	557.199318	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Na"	22.989218
"321399"	546.208347	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+H+Na"	23.996494
"712729"	813.313397	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+H+Na"	23.996494
"1469830"	279.103297	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H+Na"	23.996494
"1063073"	186.404623333333	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2H+Na"	25.00377
"1265849"	567.243586	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+CH3OH+H"	33.033486
"386613"	1107.383358	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+K"	38.963158
"748697"	1641.593458	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+K"	38.963158
"1544552"	573.173258	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+K"	38.963158
"304645"	554.195317	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+H+K"	39.970434
"698159"	821.300367	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+H+K"	39.970434
"1451979"	287.090267	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H+K"	39.970434
"242768"	1110.454026	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+ACN+H"	42.033826
"1213299"	576.243926	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+ACN+H"	42.033826
"1197543"	288.625601	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+ACN+2H"	43.041102
"193332"	1113.39136	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+2Na-H"	44.97116
"636180"	1647.60146	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+2Na-H"	44.97116
"1139686"	579.18126	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2Na-H"	44.97116
"185163"	557.199318	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+2Na"	45.978436
"618892"	824.304368	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+2Na"	45.978436
"1122031"	290.094268	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2Na"	45.978436
"1404462"	193.731937333333	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H+2Na"	46.985712
"1436585"	581.222846	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H+HCOOH"	47.012746
"229195"	562.23234	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+3H2O+2H"	56.04448
"1519448"	595.27489	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+IsoProp+H"	61.06479
"421321"	565.186288	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+Na+K"	61.952376
"776850"	832.291338	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+Na+K"	61.952376
"1676460"	298.081238	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Na+K"	61.952376
"261886"	1132.435968	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+ACN+Na"	64.015768
"1238969"	598.225868	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+ACN+Na"	64.015768
"1715101"	598.249393	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+NH4+HCOOH"	64.039293
"1180821"	201.059251333333	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+3Na"	68.967654
"1653631"	603.204788	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Na+HCOOH"	68.994688
"163409"	1145.33924	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+2K-H"	76.91904
"598959"	1679.54934	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+2K-H"	76.91904
"1089671"	611.12914	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2K-H"	76.91904
"149770"	573.173258	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"2M+2K"	77.926316
"590428"	840.278308	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"3M+2K"	77.926316
"1079314"	306.068208	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2K"	77.926316
"1112524"	613.143692	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2K+H"	78.933592
"1346358"	613.231307	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+DMSO+H"	79.021207
"1015250"	617.270476	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2ACN+H"	83.060376
"1535564"	618.264108	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+IsoProp+Na+H"	84.054008
"1003106"	309.138876	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+2ACN+2H"	84.067652
"1596515"	619.178728	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+K+HCOOH"	84.968628
"1423268"	649.210238	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+H+CF3COOH"	115.000138
"1159020"	329.652151	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+3ACN+2H"	125.094202
"1703104"	666.236785	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+NH4+CF3COOH"	132.026685
"1640946"	671.19218	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+Na+CF3COOH"	136.98208
"1582064"	687.16612	"C16915"	"Arctiin"	"C27H34O11"	"534.2101"	"M+K+CF3COOH"	152.95602
"817017"	440.4018	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M"	0
"985965"	421.38341	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-H2O-H"	-19.01839
"75301"	292.593924	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M-3H"	-3.021828
"506115"	439.394524	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M-3H"	-3.021828
"894863"	145.793324	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-3H"	-3.021828
"13433"	439.394524	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M-2H"	-2.014552
"448619"	659.595424	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M-2H"	-2.014552
"831656"	219.193624	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-2H"	-2.014552
"88608"	879.796324	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M-H"	-1.007276
"531448"	1320.198124	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M-H"	-1.007276
"909255"	439.394524	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-H"	-1.007276
"59985"	896.822871	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M-2H+NH4"	16.019271
"500881"	1337.224671	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M-2H+NH4"	16.019271
"877712"	456.421071	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-2H+NH4"	16.019271
"46345"	901.778266	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M-2H+Na"	20.974666
"484443"	1342.180066	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M-2H+Na"	20.974666
"861878"	461.376466	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-2H+Na"	20.974666
"1632504"	461.376466	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Na-2H"	20.974666
"107817"	457.382863	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M-H+Cl"	33.962126
"542033"	677.583763	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M-H+Cl"	33.962126
"937734"	237.181963	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-H+Cl"	33.962126
"279571"	915.773002	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+Cl"	34.969402
"674302"	1356.174802	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+Cl"	34.969402
"1288047"	475.371202	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Cl"	34.969402
"30964"	917.752206	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M-2H+K"	36.948606
"465413"	1358.154006	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M-2H+K"	36.948606
"842123"	477.350406	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-2H+K"	36.948606
"1568530"	477.350406	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+K-2H"	36.948606
"952405"	485.399994	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-H+HCOOH"	44.998194
"371714"	925.801801	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+HCOOH-H"	44.998201
"347577"	939.817451	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+Hac-H"	59.013851
"1493857"	499.415651	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Hac-H"	59.013851
"959451"	507.381951	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-H+NaCOOH"	66.980151
"110422"	475.371202	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+2Cl"	69.938804
"550347"	695.572102	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+2Cl"	69.938804
"1022673"	255.170302	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2Cl"	69.938804
"1244075"	519.320685	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Br"	78.918885
"1307978"	521.376672	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Cl+HCOOH"	80.974872
"1330946"	543.358629	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Cl+NaCOOH"	102.956829
"920910"	553.387386	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M-H+CF3COOH"	112.985586
"1292151"	589.364064	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Cl+CF3COOH"	148.962264
"1372134"	405.389124	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H-2H2O"	-35.012676
"1385622"	423.3991	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H-H2O"	-17.0027
"288590"	881.810876	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+H"	1.007276
"686485"	1322.212676	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+H"	1.007276
"1358459"	441.409076	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H"	1.007276
"137911"	441.409076	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+2H"	2.014552
"576379"	661.609976	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+2H"	2.014552
"1052110"	221.208176	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2H"	2.014552
"219531"	294.608476	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+3H"	3.021828
"657018"	441.409076	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+3H"	3.021828
"1172956"	147.807876	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+3H"	3.021828
"439634"	898.837423	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+NH4"	18.033823
"801119"	1339.239223	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+NH4"	18.033823
"1691368"	458.435623	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+NH4"	18.033823
"340740"	449.9223495	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+H+NH4"	19.041099
"729881"	670.1232495	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+H+NH4"	19.041099
"1482608"	229.7214495	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H+NH4"	19.041099
"404569"	903.792818	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+Na"	22.989218
"765563"	1344.194618	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+Na"	22.989218
"1614392"	463.391018	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Na"	22.989218
"322605"	452.400047	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+H+Na"	23.996494
"711746"	672.600947	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+H+Na"	23.996494
"1465567"	232.199147	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H+Na"	23.996494
"1058810"	155.13519	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2H+Na"	25.00377
"1268144"	473.435286	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+CH3OH+H"	33.033486
"385625"	919.766758	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+K"	38.963158
"749901"	1360.168558	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+K"	38.963158
"1543206"	479.364958	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+K"	38.963158
"301839"	460.387017	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+H+K"	39.970434
"693895"	680.587917	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+H+K"	39.970434
"1446739"	240.186117	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H+K"	39.970434
"238138"	922.837426	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+ACN+H"	42.033826
"1211574"	482.435626	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+ACN+H"	42.033826
"1195824"	241.721451	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+ACN+2H"	43.041102
"190160"	925.77476	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+2Na-H"	44.97116
"631913"	1366.17656	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+2Na-H"	44.97116
"1135421"	485.37296	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2Na-H"	44.97116
"177616"	463.391018	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+2Na"	45.978436
"614991"	683.591918	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+2Na"	45.978436
"1119588"	243.190118	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2Na"	45.978436
"1402385"	162.462504	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H+2Na"	46.985712
"1435237"	487.414546	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H+HCOOH"	47.012746
"227119"	468.42404	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+3H2O+2H"	56.04448
"1515184"	501.46659	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+IsoProp+H"	61.06479
"417056"	471.377988	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+Na+K"	61.952376
"778053"	691.578888	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+Na+K"	61.952376
"1673290"	251.177088	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Na+K"	61.952376
"257623"	944.819368	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+ACN+Na"	64.015768
"1232519"	504.417568	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+ACN+Na"	64.015768
"1715211"	504.441093	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+NH4+HCOOH"	64.039293
"1182389"	169.789818	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+3Na"	68.967654
"1654470"	509.396488	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Na+HCOOH"	68.994688
"162790"	957.72264	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+2K-H"	76.91904
"598704"	1398.12444	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+2K-H"	76.91904
"1084246"	517.32084	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2K-H"	76.91904
"144410"	479.364958	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"2M+2K"	77.926316
"581698"	699.565858	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"3M+2K"	77.926316
"1077234"	259.164058	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2K"	77.926316
"1109347"	519.335392	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2K+H"	78.933592
"1340264"	519.423007	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+DMSO+H"	79.021207
"1010984"	523.462176	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2ACN+H"	83.060376
"1537860"	524.455808	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+IsoProp+Na+H"	84.054008
"1005042"	262.234726	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+2ACN+2H"	84.067652
"1600999"	525.370428	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+K+HCOOH"	84.968628
"1425564"	555.401938	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+H+CF3COOH"	115.000138
"1158037"	282.748001	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+3ACN+2H"	125.094202
"1703214"	572.428485	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+NH4+CF3COOH"	132.026685
"1641056"	577.38388	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+Na+CF3COOH"	136.98208
"1582174"	593.35782	"C16916"	"Arundoin"	"C31H52O"	"440.4018"	"M+K+CF3COOH"	152.95602
"812543"	182.0732	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M"	0
"986074"	163.05481	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-H2O-H"	-19.01839
"74318"	120.374857333333	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M-3H"	-3.021828
"508411"	181.065924	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M-3H"	-3.021828
"880745"	59.6837906666667	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-3H"	-3.021828
"2599"	181.065924	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M-2H"	-2.014552
"440212"	272.102524	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M-2H"	-2.014552
"817402"	90.029324	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-2H"	-2.014552
"84344"	363.139124	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M-H"	-1.007276
"533139"	545.212324	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M-H"	-1.007276
"904987"	181.065924	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-H"	-1.007276
"61427"	380.165671	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M-2H+NH4"	16.019271
"501109"	562.238871	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M-2H+NH4"	16.019271
"877817"	198.092471	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-2H+NH4"	16.019271
"46454"	385.121066	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M-2H+Na"	20.974666
"484553"	567.194266	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M-2H+Na"	20.974666
"861987"	203.047866	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-2H+Na"	20.974666
"1633342"	203.047866	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Na-2H"	20.974666
"106957"	199.054263	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M-H+Cl"	33.962126
"547610"	290.090863	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M-H+Cl"	33.962126
"937845"	108.017663	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-H+Cl"	33.962126
"279682"	399.115802	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+Cl"	34.969402
"672953"	581.189002	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+Cl"	34.969402
"1288071"	217.042602	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Cl"	34.969402
"31292"	401.095006	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M-2H+K"	36.948606
"470990"	583.168206	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M-2H+K"	36.948606
"842233"	219.021806	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-2H+K"	36.948606
"1570462"	219.021806	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+K-2H"	36.948606
"954702"	227.071394	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-H+HCOOH"	44.998194
"371824"	409.144601	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+HCOOH-H"	44.998201
"349146"	423.160251	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+Hac-H"	59.013851
"1493720"	241.087051	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Hac-H"	59.013851
"959559"	249.053351	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-H+NaCOOH"	66.980151
"110897"	217.042602	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+2Cl"	69.938804
"550453"	308.079202	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+2Cl"	69.938804
"1022783"	126.006002	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2Cl"	69.938804
"1244552"	260.992085	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Br"	78.918885
"1305538"	263.048072	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Cl+HCOOH"	80.974872
"1329963"	285.030029	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Cl+NaCOOH"	102.956829
"918833"	295.058786	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M-H+CF3COOH"	112.985586
"1291896"	331.035464	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Cl+CF3COOH"	148.962264
"1368963"	147.060524	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H-2H2O"	-35.012676
"1386096"	165.0705	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H-H2O"	-17.0027
"287970"	365.153676	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+H"	1.007276
"677474"	547.226876	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+H"	1.007276
"1362942"	183.080476	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H"	1.007276
"140695"	183.080476	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+2H"	2.014552
"579769"	274.117076	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+2H"	2.014552
"1045288"	92.043876	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2H"	2.014552
"215382"	122.389409333333	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+3H"	3.021828
"652753"	183.080476	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+3H"	3.021828
"1170879"	61.6983426666667	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+3H"	3.021828
"436338"	382.180223	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+NH4"	18.033823
"797333"	564.253423	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+NH4"	18.033823
"1691478"	200.107023	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+NH4"	18.033823
"339757"	191.5937495	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+H+NH4"	19.041099
"735458"	282.6303495	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+H+NH4"	19.041099
"1481623"	100.5571495	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H+NH4"	19.041099
"404679"	387.135618	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+Na"	22.989218
"763486"	569.208818	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+Na"	22.989218
"1610491"	205.062418	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Na"	22.989218
"317247"	194.071447	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+H+Na"	23.996494
"708576"	285.108047	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+H+Na"	23.996494
"1465676"	103.034847	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H+Na"	23.996494
"1057829"	69.0256566666667	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2H+Na"	25.00377
"1262787"	215.106686	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+CH3OH+H"	33.033486
"381362"	403.109558	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+K"	38.963158
"746732"	585.182758	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+K"	38.963158
"1543680"	221.036358	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+K"	38.963158
"302679"	202.058417	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+H+K"	39.970434
"692549"	293.095017	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+H+K"	39.970434
"1445756"	111.021817	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H+K"	39.970434
"236061"	406.180226	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+ACN+H"	42.033826
"1210348"	224.107026	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+ACN+H"	42.033826
"1195448"	112.557151	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+ACN+2H"	43.041102
"189782"	409.11756	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+2Na-H"	44.97116
"633116"	591.19076	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+2Na-H"	44.97116
"1136620"	227.04436	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2Na-H"	44.97116
"176633"	205.062418	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+2Na"	45.978436
"616193"	296.099018	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+2Na"	45.978436
"1120429"	114.025818	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2Na"	45.978436
"1401402"	76.3529706666667	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H+2Na"	46.985712
"1437534"	229.085946	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H+HCOOH"	47.012746
"223217"	210.09544	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+3H2O+2H"	56.04448
"1516387"	243.13799	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+IsoProp+H"	61.06479
"418259"	213.049388	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+Na+K"	61.952376
"778162"	304.085988	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+Na+K"	61.952376
"1676680"	122.012788	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Na+K"	61.952376
"255545"	428.162168	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+ACN+Na"	64.015768
"1232628"	246.088968	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+ACN+Na"	64.015768
"1719329"	246.112493	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+NH4+HCOOH"	64.039293
"1182499"	83.6802846666667	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+3Na"	68.967654
"1654580"	251.067888	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Na+HCOOH"	68.994688
"162900"	441.06544	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+2K-H"	76.91904
"599544"	623.13864	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+2K-H"	76.91904
"1084535"	258.99224	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2K-H"	76.91904
"144520"	221.036358	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"2M+2K"	77.926316
"581891"	312.072958	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"3M+2K"	77.926316
"1076250"	129.999758	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2K"	77.926316
"1106177"	261.006792	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2K+H"	78.933592
"1337094"	261.094407	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+DMSO+H"	79.021207
"1012187"	265.133576	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2ACN+H"	83.060376
"1537970"	266.127208	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+IsoProp+Na+H"	84.054008
"1004787"	133.070426	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+2ACN+2H"	84.067652
"1601109"	267.041828	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+K+HCOOH"	84.968628
"1425674"	297.073338	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+H+CF3COOH"	115.000138
"1158147"	153.583701	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+3ACN+2H"	125.094202
"1703324"	314.099885	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+NH4+CF3COOH"	132.026685
"1641166"	319.05528	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+Na+CF3COOH"	136.98208
"1582284"	335.02922	"C16918"	"Atractylodin"	"C13H10O"	"182.0732"	"M+K+CF3COOH"	152.95602
"815569"	216.1514	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M"	0
"986184"	197.13301	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-H2O-H"	-19.01839
"75521"	143.093657333333	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M-3H"	-3.021828
"509614"	215.144124	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M-3H"	-3.021828
"880849"	71.0431906666667	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-3H"	-3.021828
"2709"	215.144124	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M-2H"	-2.014552
"440445"	323.219824	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M-2H"	-2.014552
"817879"	107.068424	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-2H"	-2.014552
"83350"	431.295524	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M-H"	-1.007276
"534229"	647.446924	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M-H"	-1.007276
"911259"	215.144124	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-H"	-1.007276
"61904"	448.322071	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M-2H+NH4"	16.019271
"502530"	664.473471	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M-2H+NH4"	16.019271
"878538"	232.170671	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-2H+NH4"	16.019271
"47014"	453.277466	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M-2H+Na"	20.974666
"485756"	669.428866	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M-2H+Na"	20.974666
"863434"	237.126066	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-2H+Na"	20.974666
"1633697"	237.126066	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Na-2H"	20.974666
"108890"	233.132463	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M-H+Cl"	33.962126
"546627"	341.208163	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M-H+Cl"	33.962126
"939046"	125.056763	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-H+Cl"	33.962126
"279792"	467.272202	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+Cl"	34.969402
"672214"	683.423602	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+Cl"	34.969402
"1285710"	251.120802	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Cl"	34.969402
"28266"	469.251406	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M-2H+K"	36.948606
"468556"	685.402806	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M-2H+K"	36.948606
"847450"	253.100006	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-2H+K"	36.948606
"1566925"	253.100006	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+K-2H"	36.948606
"954813"	261.149594	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-H+HCOOH"	44.998194
"373028"	477.301001	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+HCOOH-H"	44.998201
"352537"	491.316651	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+Hac-H"	59.013851
"1493956"	275.165251	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Hac-H"	59.013851
"962350"	283.131551	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-H+NaCOOH"	66.980151
"111615"	251.120802	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+2Cl"	69.938804
"551055"	359.196502	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+2Cl"	69.938804
"1022041"	143.045102	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2Cl"	69.938804
"1242717"	295.070285	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Br"	78.918885
"1305283"	297.126272	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Cl+HCOOH"	80.974872
"1320269"	319.108229	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Cl+NaCOOH"	102.956829
"920038"	329.136986	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M-H+CF3COOH"	112.985586
"1297842"	365.113664	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Cl+CF3COOH"	148.962264
"1377095"	181.138724	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H-2H2O"	-35.012676
"1393499"	199.1487	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H-H2O"	-17.0027
"297195"	433.310076	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+H"	1.007276
"684512"	649.461476	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+H"	1.007276
"1361960"	217.158676	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H"	1.007276
"141007"	217.158676	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+2H"	2.014552
"581056"	325.234376	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+2H"	2.014552
"1046494"	109.082976	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2H"	2.014552
"218774"	145.108209333333	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+3H"	3.021828
"657238"	217.158676	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+3H"	3.021828
"1176093"	73.0577426666667	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+3H"	3.021828
"437541"	450.336623	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+NH4"	18.033823
"797809"	666.488023	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+NH4"	18.033823
"1694141"	234.185223	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+NH4"	18.033823
"342420"	225.6719495	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+H+NH4"	19.041099
"736662"	333.7476495	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+H+NH4"	19.041099
"1489389"	117.5962495	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H+NH4"	19.041099
"402602"	455.292018	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+Na"	22.989218
"764691"	671.443418	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+Na"	22.989218
"1616070"	239.140618	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Na"	22.989218
"322826"	228.149647	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+H+Na"	23.996494
"713061"	336.225347	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+H+Na"	23.996494
"1470161"	120.073947	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H+Na"	23.996494
"1060126"	80.3850566666667	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2H+Na"	25.00377
"1265085"	249.184886	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+CH3OH+H"	33.033486
"385847"	471.265958	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+K"	38.963158
"746843"	687.417358	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+K"	38.963158
"1543426"	255.114558	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+K"	38.963158
"303881"	236.136617	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+H+K"	39.970434
"693026"	344.212317	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+H+K"	39.970434
"1449394"	128.060917	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H+K"	39.970434
"239818"	474.336626	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+ACN+H"	42.033826
"1211556"	258.185226	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+ACN+H"	42.033826
"1194470"	129.596251	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+ACN+2H"	43.041102
"188798"	477.27396	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+2Na-H"	44.97116
"633228"	693.42536	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+2Na-H"	44.97116
"1137828"	261.12256	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2Na-H"	44.97116
"180025"	239.140618	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+2Na"	45.978436
"615697"	347.216318	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+2Na"	45.978436
"1124187"	131.064918	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2Na"	45.978436
"1403335"	87.7123706666667	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H+2Na"	46.985712
"1432541"	263.164146	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H+HCOOH"	47.012746
"226243"	244.17364	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+3H2O+2H"	56.04448
"1514309"	277.21619	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+IsoProp+H"	61.06479
"413998"	247.127588	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+Na+K"	61.952376
"772805"	355.203288	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+Na+K"	61.952376
"1671323"	139.051888	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Na+K"	61.952376
"261124"	496.318568	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+ACN+Na"	64.015768
"1236019"	280.167168	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+ACN+Na"	64.015768
"1717983"	280.190693	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+NH4+HCOOH"	64.039293
"1179329"	95.0396846666667	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+3Na"	68.967654
"1655785"	285.146088	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Na+HCOOH"	68.994688
"161553"	509.22184	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+2K-H"	76.91904
"599047"	725.37324	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+2K-H"	76.91904
"1091093"	293.07044	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2K-H"	76.91904
"149004"	255.114558	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"2M+2K"	77.926316
"585284"	363.190258	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"3M+2K"	77.926316
"1076360"	147.038858	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2K"	77.926316
"1108476"	295.084992	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2K+H"	78.933592
"1342672"	295.172607	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+DMSO+H"	79.021207
"1007191"	299.211776	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2ACN+H"	83.060376
"1524820"	300.205408	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+IsoProp+Na+H"	84.054008
"991640"	150.109526	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+2ACN+2H"	84.067652
"1594652"	301.120028	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+K+HCOOH"	84.968628
"1425780"	331.151538	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+H+CF3COOH"	115.000138
"1152788"	170.622801	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+3ACN+2H"	125.094202
"1703433"	348.178085	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+NH4+CF3COOH"	132.026685
"1641276"	353.13348	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+Na+CF3COOH"	136.98208
"1582394"	369.10742	"C16919"	"Atractylone;Atractylol;Atractyloxide"	"C15H20O"	"216.1514"	"M+K+CF3COOH"	152.95602
"812762"	238.1933	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M"	0
"986294"	219.17491	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"72350"	157.788257333333	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"504617"	237.186024	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"881325"	78.3904906666667	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"1723"	237.186024	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"440353"	356.282674	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"817422"	118.089374	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"78716"	475.379324	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"525218"	713.572624	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"907394"	237.186024	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"53021"	492.405871	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"500236"	730.599171	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"879545"	254.212571	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"46304"	497.361266	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"483310"	735.554566	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"860018"	259.167966	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1628459"	259.167966	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"104988"	255.174363	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"539446"	374.271013	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"933689"	136.077713	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"276618"	511.356002	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"672321"	749.549302	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1288252"	273.162702	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"30195"	513.335206	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"469026"	751.528506	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"845734"	275.141906	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1568129"	275.141906	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"957960"	283.191494	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"376055"	521.384801	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"360302"	535.400451	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1497108"	297.207151	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"960274"	305.173451	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"112462"	273.162702	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"550318"	392.259352	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1021791"	154.066052	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1242586"	317.112185	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1304425"	319.168172	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1321068"	341.150129	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"920148"	351.178886	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1297952"	387.155564	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1373925"	203.180624	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1396889"	221.1906	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"296575"	477.393876	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"684622"	715.587176	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1365350"	239.200576	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"137147"	239.200576	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"578531"	358.297226	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1047697"	120.103926	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"213409"	159.802809333333	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"651875"	239.200576	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1175468"	80.4050426666667	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"433278"	494.420423	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"797919"	732.613723	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1694615"	256.227123	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"342894"	247.7138495	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"738472"	366.8104995	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1489499"	128.6171995	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"404900"	499.375818	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"766989"	737.569118	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1615088"	261.182518	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"326217"	250.191547	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"714264"	369.288197	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1470271"	131.094897	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1056956"	87.7323566666667	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1264102"	271.226786	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"385957"	515.349758	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"745859"	753.543058	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1541350"	277.156458	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"301809"	258.178517	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"692771"	377.275167	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1447318"	139.081867	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"236648"	518.420426	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1210209"	280.227126	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1194575"	140.617201	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"189874"	521.35776	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"630056"	759.55106	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1137939"	283.16446	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"177948"	261.182518	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"617144"	380.279168	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1122111"	142.085868	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1403081"	95.0596706666667	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1435566"	285.206046	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"224166"	266.21554	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1512232"	299.25809	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"415201"	269.169488	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"777291"	388.266138	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1673620"	150.072838	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"263421"	540.402368	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1239409"	302.209068	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1722832"	302.232593	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1181261"	102.386984666667	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1659175"	307.187988	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"162027"	553.30564	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"600129"	791.49894	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1091203"	315.11234	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"149115"	277.156458	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"584301"	396.253108	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1075375"	158.059808	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1108586"	317.126892	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1342782"	317.214507	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1010218"	321.253676	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1524566"	322.247308	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"991629"	161.130476	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1592575"	323.161928	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1425890"	353.193438	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1152898"	181.643751	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1700627"	370.219985	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1641386"	375.17538	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1582504"	391.14932	"C16920"	"Bornyl isovalerate;Bornyval;Hysterol"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"812872"	354.2559	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M"	0
"985311"	335.23751	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-H2O-H"	-19.01839
"66993"	235.163324	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M-3H"	-3.021828
"504366"	353.248624	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M-3H"	-3.021828
"880461"	117.078024	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-3H"	-3.021828
"496"	353.248624	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M-2H"	-2.014552
"440906"	530.376574	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M-2H"	-2.014552
"817205"	176.120674	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-2H"	-2.014552
"78596"	707.504524	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M-H"	-1.007276
"527509"	1061.760424	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M-H"	-1.007276
"904223"	353.248624	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-H"	-1.007276
"55317"	724.531071	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M-2H+NH4"	16.019271
"499251"	1078.786971	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M-2H+NH4"	16.019271
"875961"	370.275171	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-2H+NH4"	16.019271
"43862"	729.486466	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M-2H+Na"	20.974666
"482329"	1083.742366	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M-2H+Na"	20.974666
"861586"	375.230566	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-2H+Na"	20.974666
"1632578"	375.230566	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Na-2H"	20.974666
"101816"	371.236963	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M-H+Cl"	33.962126
"545751"	548.364913	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M-H+Cl"	33.962126
"932706"	194.109013	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-H+Cl"	33.962126
"274541"	743.481202	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+Cl"	34.969402
"673525"	1097.737102	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+Cl"	34.969402
"1285926"	389.225302	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Cl"	34.969402
"30184"	745.460406	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M-2H+K"	36.948606
"469501"	1099.716306	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M-2H+K"	36.948606
"843658"	391.204506	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-2H+K"	36.948606
"1567146"	391.204506	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+K-2H"	36.948606
"958069"	399.254094	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-H+HCOOH"	44.998194
"376043"	753.510001	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+HCOOH-H"	44.998201
"357133"	767.525651	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+Hac-H"	59.013851
"1497218"	413.269751	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Hac-H"	59.013851
"960384"	421.236051	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-H+NaCOOH"	66.980151
"112573"	389.225302	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+2Cl"	69.938804
"549984"	566.353252	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+2Cl"	69.938804
"1021575"	212.097352	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2Cl"	69.938804
"1242695"	433.174785	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Br"	78.918885
"1305509"	435.230772	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Cl+HCOOH"	80.974872
"1320813"	457.212729	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Cl+NaCOOH"	102.956829
"922446"	467.241486	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M-H+CF3COOH"	112.985586
"1294782"	503.218164	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Cl+CF3COOH"	148.962264
"1374035"	319.243224	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H-2H2O"	-35.012676
"1393718"	337.2532	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H-H2O"	-17.0027
"294498"	709.519076	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+H"	1.007276
"681452"	1063.774976	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+H"	1.007276
"1357801"	355.263176	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H"	1.007276
"138717"	355.263176	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+2H"	2.014552
"576819"	532.391126	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+2H"	2.014552
"1046714"	178.135226	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2H"	2.014552
"212426"	237.177876	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+3H"	3.021828
"657089"	355.263176	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+3H"	3.021828
"1173391"	119.092576	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+3H"	3.021828
"437757"	726.545623	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+NH4"	18.033823
"791098"	1080.801523	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+NH4"	18.033823
"1691804"	372.289723	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+NH4"	18.033823
"341176"	363.7764495	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+H+NH4"	19.041099
"733597"	540.9043995	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+H+NH4"	19.041099
"1483046"	186.6484995	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H+NH4"	19.041099
"401729"	731.501018	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+Na"	22.989218
"767099"	1085.756918	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+Na"	22.989218
"1614105"	377.245118	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Na"	22.989218
"323047"	366.254147	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+H+Na"	23.996494
"712187"	543.382097	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+H+Na"	23.996494
"1463455"	189.126197	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H+Na"	23.996494
"1054150"	126.41989	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2H+Na"	25.00377
"1259839"	387.289386	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+CH3OH+H"	33.033486
"382790"	747.474958	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+K"	38.963158
"741596"	1101.730858	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+K"	38.963158
"1540325"	393.219058	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+K"	38.963158
"299164"	374.241117	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+H+K"	39.970434
"691702"	551.369067	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+H+K"	39.970434
"1446331"	197.113167	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H+K"	39.970434
"236516"	750.545626	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+ACN+H"	42.033826
"1210355"	396.289726	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+ACN+H"	42.033826
"1195171"	198.648501	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+ACN+2H"	43.041102
"189864"	753.48296	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+2Na-H"	44.97116
"630167"	1107.73886	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+2Na-H"	44.97116
"1136956"	399.22706	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2Na-H"	44.97116
"175506"	377.245118	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+2Na"	45.978436
"615797"	554.373068	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+2Na"	45.978436
"1122221"	200.117168	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2Na"	45.978436
"1400640"	133.747204	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H+2Na"	46.985712
"1435675"	401.268646	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H+HCOOH"	47.012746
"224276"	382.27814	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+3H2O+2H"	56.04448
"1514528"	415.32069	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+IsoProp+H"	61.06479
"415311"	385.232088	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+Na+K"	61.952376
"777401"	562.360038	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+Na+K"	61.952376
"1674823"	208.104138	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Na+K"	61.952376
"264624"	772.527568	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+ACN+Na"	64.015768
"1238426"	418.271668	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+ACN+Na"	64.015768
"1713341"	418.295193	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+NH4+HCOOH"	64.039293
"1179183"	141.074518	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+3Na"	68.967654
"1657099"	423.250588	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Na+HCOOH"	68.994688
"159949"	785.43084	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+2K-H"	76.91904
"600604"	1139.68674	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+2K-H"	76.91904
"1091313"	431.17494	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2K-H"	76.91904
"149225"	393.219058	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"2M+2K"	77.926316
"584411"	570.347008	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"3M+2K"	77.926316
"1074391"	216.091108	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2K"	77.926316
"1106507"	433.189492	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2K+H"	78.933592
"1341799"	433.277107	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+DMSO+H"	79.021207
"1006558"	437.316276	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2ACN+H"	83.060376
"1524443"	438.309908	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+IsoProp+Na+H"	84.054008
"991130"	219.161776	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+2ACN+2H"	84.067652
"1591592"	439.224528	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+K+HCOOH"	84.968628
"1426000"	469.256038	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+H+CF3COOH"	115.000138
"1153008"	239.675051	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+3ACN+2H"	125.094202
"1700373"	486.282585	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+NH4+CF3COOH"	132.026685
"1644776"	491.23798	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+Na+CF3COOH"	136.98208
"1582614"	507.21192	"C16921"	"Bufadienolide"	"C24H34O2"	"354.2559"	"M+K+CF3COOH"	152.95602
"812982"	386.2457	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M"	0
"985421"	367.22731	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-H2O-H"	-19.01839
"67103"	256.489857333333	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M-3H"	-3.021828
"506297"	385.238424	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M-3H"	-3.021828
"882273"	127.741290666667	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-3H"	-3.021828
"1943"	385.238424	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M-2H"	-2.014552
"441504"	578.361274	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M-2H"	-2.014552
"818207"	192.115574	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-2H"	-2.014552
"80762"	771.484124	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M-H"	-1.007276
"525431"	1157.729824	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M-H"	-1.007276
"907614"	385.238424	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-H"	-1.007276
"56521"	788.510671	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M-2H+NH4"	16.019271
"493895"	1174.756371	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M-2H+NH4"	16.019271
"876071"	402.264971	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-2H+NH4"	16.019271
"42878"	793.466066	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M-2H+Na"	20.974666
"484625"	1179.711766	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M-2H+Na"	20.974666
"856957"	407.220366	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-2H+Na"	20.974666
"1630863"	407.220366	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Na-2H"	20.974666
"100833"	403.226763	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M-H+Cl"	33.962126
"542581"	596.349613	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M-H+Cl"	33.962126
"932815"	210.103913	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-H+Cl"	33.962126
"274651"	807.460802	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+Cl"	34.969402
"669259"	1193.706502	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+Cl"	34.969402
"1286036"	421.215102	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Cl"	34.969402
"27499"	809.440006	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M-2H+K"	36.948606
"463778"	1195.685706	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M-2H+K"	36.948606
"843768"	423.194306	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-2H+K"	36.948606
"1562882"	423.194306	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+K-2H"	36.948606
"954047"	431.243894	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-H+HCOOH"	44.998194
"375301"	817.489601	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+HCOOH-H"	44.998201
"355052"	831.505251	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+Hac-H"	59.013851
"1499514"	445.259551	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Hac-H"	59.013851
"963774"	453.225851	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-H+NaCOOH"	66.980151
"114869"	421.215102	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+2Cl"	69.938804
"551510"	614.337952	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+2Cl"	69.938804
"1024322"	228.092252	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2Cl"	69.938804
"1245357"	465.164585	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Br"	78.918885
"1308535"	467.220572	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Cl+HCOOH"	80.974872
"1320679"	489.202529	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Cl+NaCOOH"	102.956829
"917088"	499.231286	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M-H+CF3COOH"	112.985586
"1293068"	535.207964	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Cl+CF3COOH"	148.962264
"1371959"	351.233024	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H-2H2O"	-35.012676
"1396867"	369.243	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H-H2O"	-17.0027
"295701"	773.498676	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+H"	1.007276
"681561"	1159.744376	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+H"	1.007276
"1357908"	387.252976	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H"	1.007276
"139191"	387.252976	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+2H"	2.014552
"581019"	580.375826	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+2H"	2.014552
"1042450"	194.130126	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2H"	2.014552
"211441"	258.504409333333	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+3H"	3.021828
"657563"	387.252976	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+3H"	3.021828
"1172407"	129.755842666667	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+3H"	3.021828
"435679"	790.525223	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+NH4"	18.033823
"799591"	1176.770923	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+NH4"	18.033823
"1691913"	404.279523	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+NH4"	18.033823
"339098"	395.7662495	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+H+NH4"	19.041099
"732613"	588.8890995	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+H+NH4"	19.041099
"1485342"	202.6433995	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H+NH4"	19.041099
"401841"	795.480618	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+Na"	22.989218
"767209"	1181.726318	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+Na"	22.989218
"1616401"	409.234918	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Na"	22.989218
"325344"	398.243947	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+H+Na"	23.996494
"709382"	591.366797	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+H+Na"	23.996494
"1462837"	205.121097	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H+Na"	23.996494
"1054990"	137.083156666667	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2H+Na"	25.00377
"1263229"	419.279186	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+CH3OH+H"	33.033486
"385086"	811.454558	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+K"	38.963158
"741706"	1197.700258	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+K"	38.963158
"1541327"	425.208858	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+K"	38.963158
"302029"	406.230917	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+H+K"	39.970434
"692628"	599.353767	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+H+K"	39.970434
"1447540"	213.108067	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H+K"	39.970434
"237963"	814.525226	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+ACN+H"	42.033826
"1212009"	428.279526	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+ACN+H"	42.033826
"1195042"	214.643401	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+ACN+2H"	43.041102
"190097"	817.46256	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+2Na-H"	44.97116
"631008"	1203.70826	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+2Na-H"	44.97116
"1135972"	431.21686	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2Na-H"	44.97116
"179263"	409.234918	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+2Na"	45.978436
"615543"	602.357768	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+2Na"	45.978436
"1117957"	216.112068	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2Na"	45.978436
"1402573"	144.410470666667	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H+2Na"	46.985712
"1435785"	433.258446	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H+HCOOH"	47.012746
"222928"	414.26794	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+3H2O+2H"	56.04448
"1515729"	447.31049	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+IsoProp+H"	61.06479
"418699"	417.221888	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+Na+K"	61.952376
"778604"	610.344738	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+Na+K"	61.952376
"1674933"	224.099038	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Na+K"	61.952376
"261453"	836.507168	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+ACN+Na"	64.015768
"1237079"	450.261468	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+ACN+Na"	64.015768
"1713283"	450.284993	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+NH4+HCOOH"	64.039293
"1179206"	151.737784666667	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+3Na"	68.967654
"1650279"	455.240388	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Na+HCOOH"	68.994688
"157505"	849.41044	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+2K-H"	76.91904
"597675"	1235.65614	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+2K-H"	76.91904
"1085957"	463.16474	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2K-H"	76.91904
"146056"	425.208858	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"2M+2K"	77.926316
"582698"	618.331708	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"3M+2K"	77.926316
"1072315"	232.086008	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2K"	77.926316
"1102245"	465.179292	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2K+H"	78.933592
"1340816"	465.266907	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+DMSO+H"	79.021207
"1006423"	469.306076	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2ACN+H"	83.060376
"1524301"	470.299708	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+IsoProp+Na+H"	84.054008
"990632"	235.156676	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+2ACN+2H"	84.067652
"1591702"	471.214328	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+K+HCOOH"	84.968628
"1419549"	501.245838	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+H+CF3COOH"	115.000138
"1153118"	255.669951	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+3ACN+2H"	125.094202
"1700483"	518.272385	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+NH4+CF3COOH"	132.026685
"1644886"	523.22778	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+Na+CF3COOH"	136.98208
"1582724"	539.20172	"C16922"	"Bufalin"	"C24H34O4"	"386.2457"	"M+K+CF3COOH"	152.95602
"813092"	444.2512	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M"	0
"985531"	425.23281	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-H2O-H"	-19.01839
"67213"	295.160190666667	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M-3H"	-3.021828
"506043"	443.243924	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M-3H"	-3.021828
"883475"	147.076457333333	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-3H"	-3.021828
"6425"	443.243924	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M-2H"	-2.014552
"443800"	665.369524	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M-2H"	-2.014552
"818681"	221.118324	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-2H"	-2.014552
"81601"	887.495124	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M-H"	-1.007276
"522625"	1331.746324	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M-H"	-1.007276
"903346"	443.243924	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-H"	-1.007276
"57725"	904.521671	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M-2H+NH4"	16.019271
"494005"	1348.772871	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M-2H+NH4"	16.019271
"871807"	460.270471	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-2H+NH4"	16.019271
"41894"	909.477066	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M-2H+Na"	20.974666
"482549"	1353.728266	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M-2H+Na"	20.974666
"855974"	465.225866	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-2H+Na"	20.974666
"1625506"	465.225866	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Na-2H"	20.974666
"100943"	461.232263	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M-H+Cl"	33.962126
"541597"	683.357863	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M-H+Cl"	33.962126
"932925"	239.106663	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-H+Cl"	33.962126
"272575"	923.471802	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+Cl"	34.969402
"672651"	1367.723002	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+Cl"	34.969402
"1285053"	479.220602	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Cl"	34.969402
"27610"	925.451006	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M-2H+K"	36.948606
"466076"	1369.702206	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M-2H+K"	36.948606
"838410"	481.199806	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-2H+K"	36.948606
"1558618"	481.199806	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+K-2H"	36.948606
"945409"	489.249394	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-H+HCOOH"	44.998194
"374560"	933.500601	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+HCOOH-H"	44.998201
"354069"	947.516251	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+Hac-H"	59.013851
"1498530"	503.265051	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Hac-H"	59.013851
"970444"	511.231351	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-H+NaCOOH"	66.980151
"114979"	479.220602	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+2Cl"	69.938804
"551259"	701.346202	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+2Cl"	69.938804
"1026619"	257.095002	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2Cl"	69.938804
"1248384"	523.170085	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Br"	78.918885
"1308646"	525.226072	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Cl+HCOOH"	80.974872
"1322862"	547.208029	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Cl+NaCOOH"	102.956829
"915011"	557.236786	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M-H+CF3COOH"	112.985586
"1298283"	593.213464	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Cl+CF3COOH"	148.962264
"1376443"	409.238524	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H-2H2O"	-35.012676
"1395033"	427.2485	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H-H2O"	-17.0027
"291438"	889.509676	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+H"	1.007276
"681671"	1333.760876	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+H"	1.007276
"1358018"	445.258476	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H"	1.007276
"141384"	445.258476	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+2H"	2.014552
"581137"	667.384076	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+2H"	2.014552
"1045840"	223.132876	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2H"	2.014552
"213738"	297.174742666667	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+3H"	3.021828
"658524"	445.258476	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+3H"	3.021828
"1177258"	149.091009333333	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+3H"	3.021828
"437612"	906.536223	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+NH4"	18.033823
"800919"	1350.787423	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+NH4"	18.033823
"1694940"	462.285023	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+NH4"	18.033823
"341395"	453.7717495	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+H+NH4"	19.041099
"736368"	675.8973495	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+H+NH4"	19.041099
"1488732"	231.6461495	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H+NH4"	19.041099
"400850"	911.491618	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+Na"	22.989218
"766225"	1355.742818	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+Na"	22.989218
"1612135"	467.240418	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Na"	22.989218
"326547"	456.249447	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+H+Na"	23.996494
"714595"	678.375047	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+H+Na"	23.996494
"1465134"	234.123847	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H+Na"	23.996494
"1058380"	156.418323333333	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2H+Na"	25.00377
"1260058"	477.284686	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+CH3OH+H"	33.033486
"379728"	927.465558	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+K"	38.963158
"741816"	1371.716758	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+K"	38.963158
"1544960"	483.214358	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+K"	38.963158
"299585"	464.236417	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+H+K"	39.970434
"691884"	686.362017	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+H+K"	39.970434
"1446067"	242.110817	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H+K"	39.970434
"235790"	930.536226	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+ACN+H"	42.033826
"1210538"	486.285026	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+ACN+H"	42.033826
"1196492"	243.646151	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+ACN+2H"	43.041102
"189968"	933.47356	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+2Na-H"	44.97116
"633670"	1377.72476	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+2Na-H"	44.97116
"1136447"	489.22236	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2Na-H"	44.97116
"176459"	467.240418	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+2Na"	45.978436
"615651"	689.366018	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+2Na"	45.978436
"1121349"	245.114818	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2Na"	45.978436
"1401952"	163.745637333333	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H+2Na"	46.985712
"1435895"	491.263946	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H+HCOOH"	47.012746
"229965"	472.27344	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+3H2O+2H"	56.04448
"1516934"	505.31599	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+IsoProp+H"	61.06479
"413345"	475.227388	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+Na+K"	61.952376
"779810"	697.352988	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+Na+K"	61.952376
"1675047"	253.101788	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Na+K"	61.952376
"261568"	952.518168	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+ACN+Na"	64.015768
"1231362"	508.266968	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+ACN+Na"	64.015768
"1713393"	508.290493	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+NH4+HCOOH"	64.039293
"1180491"	171.072951333333	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+3Na"	68.967654
"1650751"	513.245888	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Na+HCOOH"	68.994688
"159075"	965.42144	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+2K-H"	76.91904
"598150"	1409.67264	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+2K-H"	76.91904
"1086067"	521.17024	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2K-H"	76.91904
"147259"	483.214358	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"2M+2K"	77.926316
"582320"	705.339958	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"3M+2K"	77.926316
"1071331"	261.088758	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2K"	77.926316
"1104541"	523.184792	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2K+H"	78.933592
"1342019"	523.272407	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+DMSO+H"	79.021207
"1006416"	527.311576	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2ACN+H"	83.060376
"1524901"	528.305208	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+IsoProp+Na+H"	84.054008
"991840"	264.159426	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+2ACN+2H"	84.067652
"1596187"	529.219828	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+K+HCOOH"	84.968628
"1421846"	559.251338	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+H+CF3COOH"	115.000138
"1155415"	284.672701	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+3ACN+2H"	125.094202
"1700591"	576.277885	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+NH4+CF3COOH"	132.026685
"1644996"	581.23328	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+Na+CF3COOH"	136.98208
"1582834"	597.20722	"C16923"	"Bufotalin;3beta1416beta-Trihydroxy-5beta-bufa-2022-dienolide 16-acetate"	"C26H36O6"	"444.2512"	"M+K+CF3COOH"	152.95602
"813202"	188.0837	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M"	0
"985641"	169.06531	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-H2O-H"	-19.01839
"67323"	124.381857333333	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M-3H"	-3.021828
"506517"	187.076424	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M-3H"	-3.021828
"882492"	61.6872906666667	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-3H"	-3.021828
"1434"	187.076424	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M-2H"	-2.014552
"442817"	281.118274	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M-2H"	-2.014552
"818429"	93.034574	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-2H"	-2.014552
"80618"	375.160124	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M-H"	-1.007276
"526745"	563.243824	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M-H"	-1.007276
"908922"	187.076424	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-H"	-1.007276
"57835"	392.186671	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M-2H+NH4"	16.019271
"498488"	580.270371	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M-2H+NH4"	16.019271
"875196"	204.102971	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-2H+NH4"	16.019271
"43096"	397.142066	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M-2H+Na"	20.974666
"484845"	585.225766	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M-2H+Na"	20.974666
"856084"	209.058366	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-2H+Na"	20.974666
"1622700"	209.058366	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Na-2H"	20.974666
"101053"	205.064763	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M-H+Cl"	33.962126
"539519"	299.106613	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M-H+Cl"	33.962126
"933034"	111.022913	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-H+Cl"	33.962126
"273777"	411.136802	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+Cl"	34.969402
"673853"	599.220502	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+Cl"	34.969402
"1286256"	223.053102	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Cl"	34.969402
"31000"	413.116006	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M-2H+K"	36.948606
"469466"	601.199706	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M-2H+K"	36.948606
"838520"	225.032306	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-2H+K"	36.948606
"1557266"	225.032306	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+K-2H"	36.948606
"945519"	233.081894	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-H+HCOOH"	44.998194
"367015"	421.165601	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+HCOOH-H"	44.998201
"353086"	435.181251	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+Hac-H"	59.013851
"1505200"	247.097551	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Hac-H"	59.013851
"970554"	255.063851	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-H+NaCOOH"	66.980151
"112902"	223.053102	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+2Cl"	69.938804
"552827"	317.094952	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+2Cl"	69.938804
"1023449"	129.011252	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2Cl"	69.938804
"1247401"	267.002585	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Br"	78.918885
"1308756"	269.058572	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Cl+HCOOH"	80.974872
"1321879"	291.040529	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Cl+NaCOOH"	102.956829
"914757"	301.069286	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M-H+CF3COOH"	112.985586
"1291832"	337.045964	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Cl+CF3COOH"	148.962264
"1373273"	153.071024	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H-2H2O"	-35.012676
"1390770"	171.081	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H-H2O"	-17.0027
"290455"	377.174676	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+H"	1.007276
"676678"	565.258376	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+H"	1.007276
"1355942"	189.090976	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H"	1.007276
"140871"	189.090976	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+2H"	2.014552
"581345"	283.132826	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+2H"	2.014552
"1043763"	95.049126	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2H"	2.014552
"214942"	126.396409333333	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+3H"	3.021828
"655595"	189.090976	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+3H"	3.021828
"1177490"	63.7018426666667	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+3H"	3.021828
"437722"	394.201223	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+NH4"	18.033823
"796895"	582.284923	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+NH4"	18.033823
"1695050"	206.117523	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+NH4"	18.033823
"340412"	197.6042495	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+H+NH4"	19.041099
"733926"	291.6460995	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+H+NH4"	19.041099
"1484469"	103.5623995	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H+NH4"	19.041099
"400960"	399.156618	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+Na"	22.989218
"767793"	587.240318	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+Na"	22.989218
"1614432"	211.072918	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Na"	22.989218
"326657"	200.081947	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+H+Na"	23.996494
"714705"	294.123797	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+H+Na"	23.996494
"1466338"	106.040097	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H+Na"	23.996494
"1058490"	71.0291566666667	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2H+Na"	25.00377
"1262355"	221.117186	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+CH3OH+H"	33.033486
"380931"	415.130558	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+K"	38.963158
"741561"	603.214258	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+K"	38.963158
"1545070"	227.046858	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+K"	38.963158
"303342"	208.068917	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+H+K"	39.970434
"691626"	302.110767	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+H+K"	39.970434
"1445813"	114.027067	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H+K"	39.970434
"235914"	418.201226	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+ACN+H"	42.033826
"1210115"	230.117526	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+ACN+H"	42.033826
"1194898"	115.562401	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+ACN+2H"	43.041102
"189102"	421.13856	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+2Na-H"	44.97116
"633780"	609.22226	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+2Na-H"	44.97116
"1136921"	233.05486	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2Na-H"	44.97116
"177298"	211.072918	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+2Na"	45.978436
"617948"	305.114768	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+2Na"	45.978436
"1122552"	117.031068	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2Na"	45.978436
"1402791"	78.3564706666667	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H+2Na"	46.985712
"1438192"	235.096446	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H+HCOOH"	47.012746
"230075"	216.10594	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+3H2O+2H"	56.04448
"1517044"	249.14849	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+IsoProp+H"	61.06479
"418920"	219.059888	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+Na+K"	61.952376
"783565"	313.101738	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+Na+K"	61.952376
"1680259"	125.018038	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Na+K"	61.952376
"264594"	440.183168	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+ACN+Na"	64.015768
"1237304"	252.099468	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+ACN+Na"	64.015768
"1713548"	252.122993	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+NH4+HCOOH"	64.039293
"1180238"	85.6837846666667	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+3Na"	68.967654
"1651225"	257.078388	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Na+HCOOH"	68.994688
"158821"	453.08644	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+2K-H"	76.91904
"598260"	641.17014	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+2K-H"	76.91904
"1087270"	265.00274	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2K-H"	76.91904
"147368"	227.046858	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"2M+2K"	77.926316
"582430"	321.088708	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"3M+2K"	77.926316
"1071805"	133.005008	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2K"	77.926316
"1104650"	267.017292	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2K+H"	78.933592
"1342129"	267.104907	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+DMSO+H"	79.021207
"1006522"	271.144076	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2ACN+H"	83.060376
"1524402"	272.137708	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+IsoProp+Na+H"	84.054008
"991585"	136.075676	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+2ACN+2H"	84.067652
"1595204"	273.052328	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+K+HCOOH"	84.968628
"1421956"	303.083838	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+H+CF3COOH"	115.000138
"1156618"	156.588951	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+3ACN+2H"	125.094202
"1700701"	320.110385	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+NH4+CF3COOH"	132.026685
"1641826"	325.06578	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+Na+CF3COOH"	136.98208
"1582944"	341.03972	"C16924"	"Butylidenephthalide"	"C12H12O2"	"188.0837"	"M+K+CF3COOH"	152.95602
"813312"	316.0947	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M"	0
"984658"	297.07631	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-H2O-H"	-19.01839
"67433"	209.722524	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M-3H"	-3.021828
"508085"	315.087424	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M-3H"	-3.021828
"882603"	104.357624	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-3H"	-3.021828
"4459"	315.087424	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M-2H"	-2.014552
"442927"	473.134774	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M-2H"	-2.014552
"817567"	157.040074	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-2H"	-2.014552
"82914"	631.182124	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M-H"	-1.007276
"531229"	947.276824	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M-H"	-1.007276
"907938"	315.087424	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-H"	-1.007276
"60856"	648.208671	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M-2H+NH4"	16.019271
"500420"	964.303371	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M-2H+NH4"	16.019271
"874942"	332.113971	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-2H+NH4"	16.019271
"43206"	653.164066	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M-2H+Na"	20.974666
"485563"	969.258766	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M-2H+Na"	20.974666
"856194"	337.069366	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-2H+Na"	20.974666
"1627913"	337.069366	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Na-2H"	20.974666
"101163"	333.075763	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M-H+Cl"	33.962126
"540723"	491.123113	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M-H+Cl"	33.962126
"935331"	175.028413	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-H+Cl"	33.962126
"272793"	667.158802	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+Cl"	34.969402
"665214"	983.253502	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+Cl"	34.969402
"1278711"	351.064102	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Cl"	34.969402
"23454"	669.138006	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M-2H+K"	36.948606
"471037"	985.232706	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M-2H+K"	36.948606
"838630"	353.043306	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-2H+K"	36.948606
"1561023"	353.043306	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+K-2H"	36.948606
"946722"	361.092894	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-H+HCOOH"	44.998194
"366032"	677.187601	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+HCOOH-H"	44.998201
"353196"	691.203251	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+Hac-H"	59.013851
"1503124"	375.108551	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Hac-H"	59.013851
"968478"	383.074851	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-H+NaCOOH"	66.980151
"114106"	351.064102	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+2Cl"	69.938804
"558040"	509.111452	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+2Cl"	69.938804
"1030120"	193.016752	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2Cl"	69.938804
"1250791"	395.013585	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Br"	78.918885
"1313240"	397.069572	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Cl+HCOOH"	80.974872
"1321989"	419.051529	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Cl+NaCOOH"	102.956829
"919607"	429.080286	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M-H+CF3COOH"	112.985586
"1295222"	465.056964	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Cl+CF3COOH"	148.962264
"1372290"	281.082024	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H-2H2O"	-35.012676
"1390880"	299.092	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H-H2O"	-17.0027
"290565"	633.196676	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+H"	1.007276
"677517"	949.291376	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+H"	1.007276
"1357146"	317.101976	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H"	1.007276
"140859"	317.101976	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+2H"	2.014552
"580543"	475.149326	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+2H"	2.014552
"1046059"	159.054626	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2H"	2.014552
"216146"	211.737076	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+3H"	3.021828
"654612"	317.101976	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+3H"	3.021828
"1177843"	106.372176	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+3H"	3.021828
"438806"	650.223223	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+NH4"	18.033823
"798098"	966.317923	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+NH4"	18.033823
"1693337"	334.128523	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+NH4"	18.033823
"342346"	325.6152495	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+H+NH4"	19.041099
"737197"	483.6625995	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+H+NH4"	19.041099
"1485672"	167.5678995	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H+NH4"	19.041099
"402163"	655.178618	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+Na"	22.989218
"767905"	971.273318	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+Na"	22.989218
"1616731"	339.083918	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Na"	22.989218
"326768"	328.092947	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+H+Na"	23.996494
"717003"	486.140297	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+H+Na"	23.996494
"1467542"	170.045597	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H+Na"	23.996494
"1060788"	113.69949	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2H+Na"	25.00377
"1259549"	349.128186	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+CH3OH+H"	33.033486
"385415"	671.152558	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+K"	38.963158
"740943"	987.247258	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+K"	38.963158
"1544087"	355.057858	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+K"	38.963158
"300170"	336.079917	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+H+K"	39.970434
"693685"	494.127267	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+H+K"	39.970434
"1445642"	178.032567	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H+K"	39.970434
"235747"	674.223226	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+ACN+H"	42.033826
"1209943"	358.128526	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+ACN+H"	42.033826
"1194331"	179.567901	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+ACN+2H"	43.041102
"188581"	677.16056	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+2Na-H"	44.97116
"629629"	993.25526	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+2Na-H"	44.97116
"1135571"	361.06586	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2Na-H"	44.97116
"177405"	339.083918	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+2Na"	45.978436
"617330"	497.131268	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+2Na"	45.978436
"1125943"	181.036568	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2Na"	45.978436
"1402906"	121.026804	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H+2Na"	46.985712
"1438302"	363.107446	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H+HCOOH"	47.012746
"223623"	344.11694	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+3H2O+2H"	56.04448
"1519341"	377.15949	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+IsoProp+H"	61.06479
"416843"	347.070888	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+Na+K"	61.952376
"781120"	505.118238	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+Na+K"	61.952376
"1677450"	189.023538	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Na+K"	61.952376
"259595"	696.205168	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+ACN+Na"	64.015768
"1238868"	380.110468	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+ACN+Na"	64.015768
"1713658"	380.133993	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+NH4+HCOOH"	64.039293
"1179255"	128.354118	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+3Na"	68.967654
"1650364"	385.089388	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Na+HCOOH"	68.994688
"158319"	709.10844	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+2K-H"	76.91904
"597879"	1025.20314	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+2K-H"	76.91904
"1086649"	393.01374	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2K-H"	76.91904
"142252"	355.057858	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"2M+2K"	77.926316
"581688"	513.105208	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"3M+2K"	77.926316
"1070213"	197.010508	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2K"	77.926316
"1100136"	395.028292	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2K+H"	78.933592
"1340052"	395.115907	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+DMSO+H"	79.021207
"1005684"	399.155076	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2ACN+H"	83.060376
"1524163"	400.148708	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+IsoProp+Na+H"	84.054008
"993154"	200.081176	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+2ACN+2H"	84.067652
"1593127"	401.063328	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+K+HCOOH"	84.968628
"1420973"	431.094838	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+H+CF3COOH"	115.000138
"1153448"	220.594451	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+3ACN+2H"	125.094202
"1699717"	448.121385	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+NH4+CF3COOH"	132.026685
"1641936"	453.07678	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+Na+CF3COOH"	136.98208
"1583054"	469.05072	"C16925"	"Byakangelicol"	"C17H16O6"	"316.0947"	"M+K+CF3COOH"	152.95602
"810142"	198.0681	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M"	0
"981487"	179.04971	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-H2O-H"	-19.01839
"64262"	131.038124	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M-3H"	-3.021828
"506008"	197.060824	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M-3H"	-3.021828
"882714"	65.015424	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-3H"	-3.021828
"269"	197.060824	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M-2H"	-2.014552
"440970"	296.094874	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M-2H"	-2.014552
"817468"	98.026774	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-2H"	-2.014552
"83024"	395.128924	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M-H"	-1.007276
"530245"	593.197024	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M-H"	-1.007276
"899662"	197.060824	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-H"	-1.007276
"52215"	412.155471	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M-2H+NH4"	16.019271
"498344"	610.223571	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M-2H+NH4"	16.019271
"874688"	214.087371	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-2H+NH4"	16.019271
"42588"	417.110866	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M-2H+Na"	20.974666
"482514"	615.178966	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M-2H+Na"	20.974666
"855210"	219.042766	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-2H+Na"	20.974666
"1629116"	219.042766	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Na-2H"	20.974666
"102366"	215.049163	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M-H+Cl"	33.962126
"539739"	314.083213	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M-H+Cl"	33.962126
"935441"	116.015113	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-H+Cl"	33.962126
"272902"	431.105602	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+Cl"	34.969402
"663136"	629.173702	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+Cl"	34.969402
"1275174"	233.037502	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Cl"	34.969402
"23564"	433.084806	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M-2H+K"	36.948606
"470417"	631.152906	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M-2H+K"	36.948606
"840927"	235.016706	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-2H+K"	36.948606
"1560040"	235.016706	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+K-2H"	36.948606
"944644"	243.066294	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-H+HCOOH"	44.998194
"363954"	441.134401	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+HCOOH-H"	44.998201
"353306"	455.150051	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+Hac-H"	59.013851
"1503235"	257.081951	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Hac-H"	59.013851
"968588"	265.048251	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-H+NaCOOH"	66.980151
"119682"	233.037502	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+2Cl"	69.938804
"555963"	332.071552	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+2Cl"	69.938804
"1023304"	134.003452	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2Cl"	69.938804
"1249808"	276.986985	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Br"	78.918885
"1313350"	279.042972	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Cl+HCOOH"	80.974872
"1322462"	301.024929	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Cl+NaCOOH"	102.956829
"918623"	311.053686	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M-H+CF3COOH"	112.985586
"1288505"	347.030364	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Cl+CF3COOH"	148.962264
"1369482"	163.055424	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H-2H2O"	-35.012676
"1384428"	181.0654	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H-H2O"	-17.0027
"285571"	397.143476	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+H"	1.007276
"675923"	595.211576	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+H"	1.007276
"1352151"	199.075376	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H"	1.007276
"139993"	199.075376	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+2H"	2.014552
"580404"	298.109426	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+2H"	2.014552
"1045076"	100.041326	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2H"	2.014552
"211881"	133.052676	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+3H"	3.021828
"654722"	199.075376	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+3H"	3.021828
"1176858"	67.029976	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+3H"	3.021828
"438430"	414.170023	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+NH4"	18.033823
"800154"	612.238123	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+NH4"	18.033823
"1695635"	216.101923	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+NH4"	18.033823
"342091"	207.5886495	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+H+NH4"	19.041099
"736335"	306.6226995	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+H+NH4"	19.041099
"1487969"	108.5545995	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H+NH4"	19.041099
"405920"	419.125418	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+Na"	22.989218
"759988"	617.193518	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+Na"	22.989218
"1613561"	221.057318	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Na"	22.989218
"325784"	210.066347	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+H+Na"	23.996494
"720760"	309.100397	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+H+Na"	23.996494
"1470933"	111.032297	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H+Na"	23.996494
"1060898"	74.35729	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2H+Na"	25.00377
"1261482"	231.101586	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+CH3OH+H"	33.033486
"383339"	435.099358	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+K"	38.963158
"742144"	633.167458	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+K"	38.963158
"1546382"	237.031258	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+K"	38.963158
"301372"	218.053317	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+H+K"	39.970434
"697075"	317.087367	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+H+K"	39.970434
"1446519"	119.019267	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H+K"	39.970434
"235709"	438.170026	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+ACN+H"	42.033826
"1210056"	240.101926	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+ACN+H"	42.033826
"1194217"	120.554601	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+ACN+2H"	43.041102
"190175"	441.10736	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+2Na-H"	44.97116
"630348"	639.17546	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+2Na-H"	44.97116
"1135681"	243.03926	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2Na-H"	44.97116
"176786"	221.057318	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+2Na"	45.978436
"617075"	320.091368	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+2Na"	45.978436
"1124959"	122.023268	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2Na"	45.978436
"1403380"	81.684604	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H+2Na"	46.985712
"1438412"	245.080846	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H+HCOOH"	47.012746
"223733"	226.09034	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+3H2O+2H"	56.04448
"1517264"	259.13289	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+IsoProp+H"	61.06479
"416953"	229.044288	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+Na+K"	61.952376
"777948"	328.078338	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+Na+K"	61.952376
"1677560"	130.010238	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Na+K"	61.952376
"258246"	460.151968	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+ACN+Na"	64.015768
"1236791"	262.083868	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+ACN+Na"	64.015768
"1717292"	262.107393	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+NH4+HCOOH"	64.039293
"1179242"	89.011918	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+3Na"	68.967654
"1650109"	267.062788	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Na+HCOOH"	68.994688
"157944"	473.05524	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+2K-H"	76.91904
"597222"	671.12334	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+2K-H"	76.91904
"1085666"	274.98714	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2K-H"	76.91904
"141591"	237.031258	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"2M+2K"	77.926316
"581508"	336.065308	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"3M+2K"	77.926316
"1069838"	137.997208	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2K"	77.926316
"1100042"	277.001692	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2K+H"	78.933592
"1336881"	277.089307	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+DMSO+H"	79.021207
"1005723"	281.128476	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2ACN+H"	83.060376
"1524242"	282.122108	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+IsoProp+Na+H"	84.054008
"995451"	141.067876	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+2ACN+2H"	84.067652
"1593237"	283.036728	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+K+HCOOH"	84.968628
"1421083"	313.068238	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+H+CF3COOH"	115.000138
"1153558"	161.581151	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+3ACN+2H"	125.094202
"1699827"	330.094785	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+NH4+CF3COOH"	132.026685
"1642046"	335.05018	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+Na+CF3COOH"	136.98208
"1583164"	351.02412	"C16926"	"Capillarin"	"C13H10O2"	"198.0681"	"M+K+CF3COOH"	152.95602
"816774"	154.0783	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M"	0
"980505"	135.05991	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-H2O-H"	-19.01839
"67651"	101.711590666667	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M-3H"	-3.021828
"506119"	153.071024	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M-3H"	-3.021828
"885016"	50.3521573333333	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-3H"	-3.021828
"3590"	153.071024	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M-2H"	-2.014552
"443149"	230.110174	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M-2H"	-2.014552
"821317"	76.031874	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-2H"	-2.014552
"83134"	307.149324	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M-H"	-1.007276
"531941"	461.227624	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M-H"	-1.007276
"908649"	153.071024	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-H"	-1.007276
"59622"	324.175871	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M-2H+NH4"	16.019271
"498456"	478.254171	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M-2H+NH4"	16.019271
"877230"	170.097571	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-2H+NH4"	16.019271
"43064"	329.131266	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M-2H+Na"	20.974666
"479344"	483.209566	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M-2H+Na"	20.974666
"862859"	175.052966	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-2H+Na"	20.974666
"1628135"	175.052966	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Na-2H"	20.974666
"107828"	171.059363	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M-H+Cl"	33.962126
"545319"	248.098513	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M-H+Cl"	33.962126
"936646"	94.020213	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-H+Cl"	33.962126
"280308"	343.126002	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+Cl"	34.969402
"672730"	497.204302	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+Cl"	34.969402
"1285498"	189.047702	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Cl"	34.969402
"29146"	345.105206	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M-2H+K"	36.948606
"466518"	499.183506	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M-2H+K"	36.948606
"842134"	191.026906	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-2H+K"	36.948606
"1570850"	191.026906	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+K-2H"	36.948606
"957760"	199.076494	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-H+HCOOH"	44.998194
"375368"	353.154801	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+HCOOH-H"	44.998201
"359981"	367.170451	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+Hac-H"	59.013851
"1505531"	213.092151	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Hac-H"	59.013851
"969792"	221.058451	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-H+NaCOOH"	66.980151
"116513"	189.047702	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+2Cl"	69.938804
"554251"	266.086852	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+2Cl"	69.938804
"1023052"	112.008552	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2Cl"	69.938804
"1248825"	232.997185	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Br"	78.918885
"1312367"	235.053172	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Cl+HCOOH"	80.974872
"1330956"	257.035129	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Cl+NaCOOH"	102.956829
"920919"	267.063886	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M-H+CF3COOH"	112.985586
"1289973"	303.040564	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Cl+CF3COOH"	148.962264
"1374694"	119.065624	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H-2H2O"	-35.012676
"1387817"	137.0756	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H-H2O"	-17.0027
"288600"	309.163876	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+H"	1.007276
"683209"	463.242176	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+H"	1.007276
"1366120"	155.085576	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H"	1.007276
"141202"	155.085576	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+2H"	2.014552
"581269"	232.124726	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+2H"	2.014552
"1048465"	78.046426	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2H"	2.014552
"217463"	103.726142666667	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+3H"	3.021828
"658125"	155.085576	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+3H"	3.021828
"1177093"	52.3667093333333	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+3H"	3.021828
"436234"	326.190423	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+NH4"	18.033823
"798323"	480.268723	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+NH4"	18.033823
"1696245"	172.112123	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+NH4"	18.033823
"344033"	163.5988495	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+H+NH4"	19.041099
"737183"	240.6379995	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+H+NH4"	19.041099
"1491364"	86.5596995	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H+NH4"	19.041099
"401296"	331.145818	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+Na"	22.989218
"768858"	485.224118	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+Na"	22.989218
"1617561"	177.067518	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Na"	22.989218
"326989"	166.076547	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+H+Na"	23.996494
"721236"	243.115697	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+H+Na"	23.996494
"1468857"	89.037397	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H+Na"	23.996494
"1061009"	59.6940233333333	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2H+Na"	25.00377
"1264874"	187.111786	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+CH3OH+H"	33.033486
"382354"	347.119758	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+K"	38.963158
"744442"	501.198058	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+K"	38.963158
"1546494"	193.041458	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+K"	38.963158
"300757"	174.063517	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+H+K"	39.970434
"692813"	251.102667	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+H+K"	39.970434
"1445781"	97.024367	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H+K"	39.970434
"235799"	350.190426	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+ACN+H"	42.033826
"1210128"	196.112126	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+ACN+H"	42.033826
"1195841"	98.559701	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+ACN+2H"	43.041102
"188784"	353.12776	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+2Na-H"	44.97116
"638485"	507.20606	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+2Na-H"	44.97116
"1136520"	199.04946	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2Na-H"	44.97116
"177262"	177.067518	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+2Na"	45.978436
"618282"	254.106668	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+2Na"	45.978436
"1118873"	100.028368	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2Na"	45.978436
"1401302"	67.0213373333333	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H+2Na"	46.985712
"1439620"	201.091046	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H+HCOOH"	47.012746
"229315"	182.10054	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+3H2O+2H"	56.04448
"1519566"	215.14309	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+IsoProp+H"	61.06479
"422412"	185.054488	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+Na+K"	61.952376
"784136"	262.093638	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+Na+K"	61.952376
"1673297"	108.015338	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Na+K"	61.952376
"265287"	372.172368	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+ACN+Na"	64.015768
"1236902"	218.094068	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+ACN+Na"	64.015768
"1717044"	218.117593	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+NH4+HCOOH"	64.039293
"1190055"	74.3486513333333	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+3Na"	68.967654
"1652292"	223.072988	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Na+HCOOH"	68.994688
"166808"	385.07564	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+2K-H"	76.91904
"599807"	539.15394	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+2K-H"	76.91904
"1093068"	230.99734	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2K-H"	76.91904
"155358"	193.041458	"C16927"	"Capillene"	"C12H10"	"154.0783"	"2M+2K"	77.926316
"594552"	270.080608	"C16927"	"Capillene"	"C12H10"	"154.0783"	"3M+2K"	77.926316
"1081619"	116.002308	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2K"	77.926316
"1112641"	233.011892	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2K+H"	78.933592
"1349875"	233.099507	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+DMSO+H"	79.021207
"1019496"	237.138676	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2ACN+H"	83.060376
"1539082"	238.132308	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+IsoProp+Na+H"	84.054008
"1003101"	119.072976	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+2ACN+2H"	84.067652
"1602100"	239.046928	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+K+HCOOH"	84.968628
"1426665"	269.078438	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+H+CF3COOH"	115.000138
"1159138"	139.586251	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+3ACN+2H"	125.094202
"1704314"	286.104985	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+NH4+CF3COOH"	132.026685
"1644343"	291.06038	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+Na+CF3COOH"	136.98208
"1583274"	307.03432	"C16927"	"Capillene"	"C12H10"	"154.0783"	"M+K+CF3COOH"	152.95602
"813642"	172.0888	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M"	0
"983894"	153.07041	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-H2O-H"	-19.01839
"64482"	113.718590666667	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M-3H"	-3.021828
"505136"	171.081524	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M-3H"	-3.021828
"881479"	56.3556573333333	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-3H"	-3.021828
"247"	171.081524	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M-2H"	-2.014552
"441314"	257.125924	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M-2H"	-2.014552
"820334"	85.037124	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-2H"	-2.014552
"83244"	343.170324	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M-H"	-1.007276
"532902"	515.259124	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M-H"	-1.007276
"910339"	171.081524	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-H"	-1.007276
"61069"	360.196871	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M-2H+NH4"	16.019271
"501366"	532.285671	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M-2H+NH4"	16.019271
"877461"	188.108071	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-2H+NH4"	16.019271
"40987"	365.152266	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M-2H+Na"	20.974666
"480914"	537.241066	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M-2H+Na"	20.974666
"862362"	193.063466	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-2H+Na"	20.974666
"1627154"	193.063466	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Na-2H"	20.974666
"105508"	189.069863	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M-H+Cl"	33.962126
"545065"	275.114263	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M-H+Cl"	33.962126
"940036"	103.025463	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-H+Cl"	33.962126
"277499"	379.147002	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+Cl"	34.969402
"673326"	551.235802	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+Cl"	34.969402
"1285608"	207.058202	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Cl"	34.969402
"28161"	381.126206	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M-2H+K"	36.948606
"461159"	553.215006	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M-2H+K"	36.948606
"844430"	209.037406	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-2H+K"	36.948606
"1570109"	209.037406	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+K-2H"	36.948606
"957144"	217.086994	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-H+HCOOH"	44.998194
"375112"	389.175801	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+HCOOH-H"	44.998201
"360819"	403.191451	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+Hac-H"	59.013851
"1499079"	231.102651	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Hac-H"	59.013851
"963344"	239.068951	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-H+NaCOOH"	66.980151
"122094"	207.058202	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+2Cl"	69.938804
"556185"	293.102602	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+2Cl"	69.938804
"1023525"	121.013802	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2Cl"	69.938804
"1245655"	251.007685	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Br"	78.918885
"1305551"	253.063672	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Cl+HCOOH"	80.974872
"1328878"	275.045629	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Cl+NaCOOH"	102.956829
"917749"	285.074386	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M-H+CF3COOH"	112.985586
"1292270"	321.051064	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Cl+CF3COOH"	148.962264
"1374804"	137.076124	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H-2H2O"	-35.012676
"1382863"	155.0861	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H-H2O"	-17.0027
"288710"	345.184876	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+H"	1.007276
"682225"	517.273676	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+H"	1.007276
"1366230"	173.096076	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H"	1.007276
"139120"	173.096076	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+2H"	2.014552
"580750"	259.140476	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+2H"	2.014552
"1047481"	87.051676	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2H"	2.014552
"217573"	115.733142666667	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+3H"	3.021828
"656039"	173.096076	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+3H"	3.021828
"1177325"	58.3702093333333	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+3H"	3.021828
"435251"	362.211423	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+NH4"	18.033823
"797340"	534.300223	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+NH4"	18.033823
"1696936"	190.122623	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+NH4"	18.033823
"344998"	181.6093495	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+H+NH4"	19.041099
"737658"	267.6537495	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+H+NH4"	19.041099
"1488194"	95.5649495	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H+NH4"	19.041099
"401406"	367.166818	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+Na"	22.989218
"769090"	539.255618	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+Na"	22.989218
"1617064"	195.078018	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Na"	22.989218
"329165"	184.087047	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+H+Na"	23.996494
"720615"	270.131447	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+H+Na"	23.996494
"1467875"	98.042647	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H+Na"	23.996494
"1058932"	65.6975233333333	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2H+Na"	25.00377
"1260613"	205.122286	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+CH3OH+H"	33.033486
"386839"	383.140758	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+K"	38.963158
"744552"	555.229558	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+K"	38.963158
"1543327"	211.051958	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+K"	38.963158
"303780"	192.074017	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+H+K"	39.970434
"692560"	278.118417	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+H+K"	39.970434
"1445972"	106.029617	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H+K"	39.970434
"236806"	386.211426	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+ACN+H"	42.033826
"1210606"	214.122626	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+ACN+H"	42.033826
"1197775"	107.564951	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+ACN+2H"	43.041102
"189307"	389.14876	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+2Na-H"	44.97116
"629841"	561.23756	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+2Na-H"	44.97116
"1135537"	217.05996	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2Na-H"	44.97116
"176644"	195.078018	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+2Na"	45.978436
"619487"	281.122418	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+2Na"	45.978436
"1125179"	109.033618	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2Na"	45.978436
"1403235"	73.0248373333333	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H+2Na"	46.985712
"1433896"	219.101546	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H+HCOOH"	47.012746
"227238"	200.11104	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+3H2O+2H"	56.04448
"1516394"	233.15359	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+IsoProp+H"	61.06479
"422643"	203.064988	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+Na+K"	61.952376
"782544"	289.109388	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+Na+K"	61.952376
"1671584"	117.020588	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Na+K"	61.952376
"265033"	408.193368	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+ACN+Na"	64.015768
"1235919"	236.104568	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+ACN+Na"	64.015768
"1714966"	236.128093	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+NH4+HCOOH"	64.039293
"1180323"	80.3521513333333	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+3Na"	68.967654
"1652402"	241.083488	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Na+HCOOH"	68.994688
"162544"	421.09664	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+2K-H"	76.91904
"598094"	593.18544	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+2K-H"	76.91904
"1085516"	249.00784	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2K-H"	76.91904
"156197"	211.051958	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"2M+2K"	77.926316
"595026"	297.096358	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"3M+2K"	77.926316
"1081728"	125.007558	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2K"	77.926316
"1112748"	251.022392	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2K+H"	78.933592
"1349013"	251.110007	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+DMSO+H"	79.021207
"1014380"	255.149176	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2ACN+H"	83.060376
"1537732"	256.142808	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+IsoProp+Na+H"	84.054008
"1003332"	128.078226	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+2ACN+2H"	84.067652
"1602213"	257.057428	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+K+HCOOH"	84.968628
"1427868"	287.088938	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+H+CF3COOH"	115.000138
"1157061"	148.591501	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+3ACN+2H"	125.094202
"1704424"	304.115485	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+NH4+CF3COOH"	132.026685
"1644453"	309.07088	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+Na+CF3COOH"	136.98208
"1583384"	325.04482	"C16928"	"Capillone;1-Phenyl-24-hexadiene-1-one"	"C12H12O"	"172.0888"	"M+K+CF3COOH"	152.95602
"813752"	258.0892	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M"	0
"984005"	239.07081	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-H2O-H"	-19.01839
"67873"	171.052190666667	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M-3H"	-3.021828
"505247"	257.081924	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M-3H"	-3.021828
"884141"	85.0224573333333	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-3H"	-3.021828
"3808"	257.081924	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M-2H"	-2.014552
"440814"	386.126524	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M-2H"	-2.014552
"817763"	128.037324	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-2H"	-2.014552
"82261"	515.171124	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M-H"	-1.007276
"533251"	773.260324	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M-H"	-1.007276
"911063"	257.081924	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-H"	-1.007276
"62402"	532.197671	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M-2H+NH4"	16.019271
"501475"	790.286871	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M-2H+NH4"	16.019271
"878543"	274.108471	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-2H+NH4"	16.019271
"45473"	537.153066	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M-2H+Na"	20.974666
"483938"	795.242266	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M-2H+Na"	20.974666
"862108"	279.063866	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-2H+Na"	20.974666
"1630544"	279.063866	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Na-2H"	20.974666
"107440"	275.070263	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M-H+Cl"	33.962126
"545539"	404.114863	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M-H+Cl"	33.962126
"936866"	146.025663	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-H+Cl"	33.962126
"279796"	551.147802	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+Cl"	34.969402
"674045"	809.237002	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+Cl"	34.969402
"1286691"	293.058602	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Cl"	34.969402
"29977"	553.127006	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M-2H+K"	36.948606
"468924"	811.216206	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M-2H+K"	36.948606
"845636"	295.037806	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-2H+K"	36.948606
"1570219"	295.037806	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+K-2H"	36.948606
"958397"	303.087394	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-H+HCOOH"	44.998194
"375952"	561.176601	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+HCOOH-H"	44.998201
"360813"	575.192251	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+Hac-H"	59.013851
"1503565"	317.103051	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Hac-H"	59.013851
"964548"	325.069351	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-H+NaCOOH"	66.980151
"121110"	293.058602	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+2Cl"	69.938804
"556295"	422.103202	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+2Cl"	69.938804
"1024365"	164.014002	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2Cl"	69.938804
"1249045"	337.008085	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Br"	78.918885
"1309307"	339.064072	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Cl+HCOOH"	80.974872
"1331175"	361.046029	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Cl+NaCOOH"	102.956829
"921139"	371.074786	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M-H+CF3COOH"	112.985586
"1292380"	407.051464	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Cl+CF3COOH"	148.962264
"1371634"	223.076524	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H-2H2O"	-35.012676
"1383415"	241.0865	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H-H2O"	-17.0027
"288820"	517.185676	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+H"	1.007276
"682335"	775.274876	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+H"	1.007276
"1365976"	259.096476	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H"	1.007276
"139959"	259.096476	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+2H"	2.014552
"580985"	388.141076	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+2H"	2.014552
"1049779"	130.051876	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2H"	2.014552
"218663"	173.066742666667	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+3H"	3.021828
"655056"	259.096476	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+3H"	3.021828
"1176827"	87.0370093333333	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+3H"	3.021828
"438280"	534.212223	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+NH4"	18.033823
"797450"	792.301423	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+NH4"	18.033823
"1696218"	276.123023	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+NH4"	18.033823
"344255"	267.6097495	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+H+NH4"	19.041099
"737770"	396.6543495	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+H+NH4"	19.041099
"1488304"	138.5651495	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H+NH4"	19.041099
"401516"	539.167618	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+Na"	22.989218
"769079"	797.256818	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+Na"	22.989218
"1616810"	281.078418	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Na"	22.989218
"325024"	270.087447	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+H+Na"	23.996494
"721941"	399.132047	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+H+Na"	23.996494
"1473453"	141.042847	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H+Na"	23.996494
"1061229"	94.3643233333333	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2H+Na"	25.00377
"1259631"	291.122686	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+CH3OH+H"	33.033486
"385859"	555.141558	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+K"	38.963158
"746852"	813.230758	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+K"	38.963158
"1544896"	297.052358	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+K"	38.963158
"301706"	278.074417	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+H+K"	39.970434
"692545"	407.119017	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+H+K"	39.970434
"1445799"	149.029817	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H+K"	39.970434
"238741"	558.212226	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+ACN+H"	42.033826
"1209942"	300.123026	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+ACN+H"	42.033826
"1200803"	150.565151	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+ACN+2H"	43.041102
"191849"	561.14956	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+2Na-H"	44.97116
"634328"	819.23876	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+2Na-H"	44.97116
"1137836"	303.06036	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2Na-H"	44.97116
"178942"	281.078418	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+2Na"	45.978436
"620689"	410.123018	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+2Na"	45.978436
"1128572"	152.033818	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2Na"	45.978436
"1404801"	101.691637333333	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H+2Na"	46.985712
"1439839"	305.101946	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H+HCOOH"	47.012746
"230629"	286.11144	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+3H2O+2H"	56.04448
"1519782"	319.15399	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+IsoProp+H"	61.06479
"414003"	289.065388	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+Na+K"	61.952376
"784841"	418.109988	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+Na+K"	61.952376
"1672424"	160.020788	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Na+K"	61.952376
"265142"	580.194168	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+ACN+Na"	64.015768
"1238216"	322.104968	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+ACN+Na"	64.015768
"1716170"	322.128493	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+NH4+HCOOH"	64.039293
"1181888"	109.018951333333	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+3Na"	68.967654
"1653604"	327.083888	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Na+HCOOH"	68.994688
"161560"	593.09744	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+2K-H"	76.91904
"601120"	851.18664	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+2K-H"	76.91904
"1085633"	335.00824	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2K-H"	76.91904
"155822"	297.052358	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"2M+2K"	77.926316
"595987"	426.096958	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"3M+2K"	77.926316
"1082810"	168.007758	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2K"	77.926316
"1114682"	337.022792	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2K+H"	78.933592
"1350703"	337.110407	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+DMSO+H"	79.021207
"1014490"	341.149576	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2ACN+H"	83.060376
"1536990"	342.143208	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+IsoProp+Na+H"	84.054008
"1005471"	171.078426	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+2ACN+2H"	84.067652
"1601958"	343.057828	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+K+HCOOH"	84.968628
"1429071"	373.089338	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+H+CF3COOH"	115.000138
"1157171"	191.591701	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+3ACN+2H"	125.094202
"1704534"	390.115885	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+NH4+CF3COOH"	132.026685
"1644563"	395.07128	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+Na+CF3COOH"	136.98208
"1583494"	411.04522	"C16929"	"Catalpalactone"	"C15H14O4"	"258.0892"	"M+K+CF3COOH"	152.95602
"816739"	134.0732	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M"	0
"988125"	115.05481	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-H2O-H"	-19.01839
"70170"	88.3748573333333	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M-3H"	-3.021828
"509731"	133.065924	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M-3H"	-3.021828
"887531"	43.6837906666667	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-3H"	-3.021828
"4282"	133.065924	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M-2H"	-2.014552
"444571"	200.102524	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M-2H"	-2.014552
"817511"	66.029324	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-2H"	-2.014552
"81277"	267.139124	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M-H"	-1.007276
"532872"	401.212324	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M-H"	-1.007276
"911055"	133.065924	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-H"	-1.007276
"62758"	284.165671	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M-2H+NH4"	16.019271
"502435"	418.238871	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M-2H+NH4"	16.019271
"879019"	150.092471	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-2H+NH4"	16.019271
"46677"	289.121066	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M-2H+Na"	20.974666
"486115"	423.194266	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M-2H+Na"	20.974666
"864044"	155.047866	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-2H+Na"	20.974666
"1632113"	155.047866	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Na-2H"	20.974666
"109496"	151.054263	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M-H+Cl"	33.962126
"548689"	218.090863	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M-H+Cl"	33.962126
"942407"	84.017663	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-H+Cl"	33.962126
"282788"	303.115802	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+Cl"	34.969402
"675607"	437.189002	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+Cl"	34.969402
"1288019"	169.042602	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Cl"	34.969402
"30087"	305.095006	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M-2H+K"	36.948606
"471350"	439.168206	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M-2H+K"	36.948606
"848387"	171.021806	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-2H+K"	36.948606
"1571229"	171.021806	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+K-2H"	36.948606
"958267"	179.071394	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-H+HCOOH"	44.998194
"376347"	313.144601	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+HCOOH-H"	44.998201
"361297"	327.160251	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+Hac-H"	59.013851
"1508230"	193.087051	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Hac-H"	59.013851
"965751"	201.053351	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-H+NaCOOH"	66.980151
"121220"	169.042602	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+2Cl"	69.938804
"554582"	236.079202	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+2Cl"	69.938804
"1025568"	102.006002	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2Cl"	69.938804
"1253529"	212.992085	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Br"	78.918885
"1309417"	215.048072	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Cl+HCOOH"	80.974872
"1333837"	237.030029	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Cl+NaCOOH"	102.956829
"923436"	247.058786	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M-H+CF3COOH"	112.985586
"1299050"	283.035464	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Cl+CF3COOH"	148.962264
"1378304"	99.060524	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H-2H2O"	-35.012676
"1383407"	117.0705	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H-H2O"	-17.0027
"288930"	269.153676	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+H"	1.007276
"682445"	403.226876	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+H"	1.007276
"1366450"	135.080476	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H"	1.007276
"140312"	135.080476	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+2H"	2.014552
"578899"	202.117076	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+2H"	2.014552
"1048796"	68.043876	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2H"	2.014552
"219739"	90.3894093333333	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+3H"	3.021828
"651884"	135.080476	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+3H"	3.021828
"1176208"	45.6983426666667	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+3H"	3.021828
"438389"	286.180223	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+NH4"	18.033823
"796467"	420.253423	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+NH4"	18.033823
"1696938"	152.107023	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+NH4"	18.033823
"344483"	143.5937495	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+H+NH4"	19.041099
"736417"	210.6303495	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+H+NH4"	19.041099
"1485133"	76.5571495	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H+NH4"	19.041099
"401626"	291.135618	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+Na"	22.989218
"769187"	425.208818	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+Na"	22.989218
"1617283"	157.062418	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Na"	22.989218
"329021"	146.071447	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+H+Na"	23.996494
"721567"	213.108047	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+H+Na"	23.996494
"1473563"	79.034847	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H+Na"	23.996494
"1064620"	53.0256566666667	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2H+Na"	25.00377
"1263021"	167.106686	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+CH3OH+H"	33.033486
"387062"	307.109558	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+K"	38.963158
"743683"	441.182758	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+K"	38.963158
"1541726"	173.036358	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+K"	38.963158
"302178"	154.058417	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+H+K"	39.970434
"692780"	221.095017	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+H+K"	39.970434
"1445708"	87.021817	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H+K"	39.970434
"236905"	310.180226	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+ACN+H"	42.033826
"1210298"	176.107026	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+ACN+H"	42.033826
"1196902"	88.557151	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+ACN+2H"	43.041102
"189772"	313.11756	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+2Na-H"	44.97116
"629450"	447.19076	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+2Na-H"	44.97116
"1137217"	179.04436	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2Na-H"	44.97116
"182332"	157.062418	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+2Na"	45.978436
"622620"	224.099018	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+2Na"	45.978436
"1128682"	90.025818	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2Na"	45.978436
"1405275"	60.3529706666667	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H+2Na"	46.985712
"1438857"	181.085946	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H+HCOOH"	47.012746
"231831"	162.09544	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+3H2O+2H"	56.04448
"1520987"	195.13799	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+IsoProp+H"	61.06479
"418488"	165.049388	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+Na+K"	61.952376
"779483"	232.085988	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+Na+K"	61.952376
"1676908"	98.012788	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Na+K"	61.952376
"265616"	332.162168	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+ACN+Na"	64.015768
"1239418"	198.088968	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+ACN+Na"	64.015768
"1716280"	198.112493	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+NH4+HCOOH"	64.039293
"1180542"	67.6802846666667	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+3Na"	68.967654
"1654807"	203.067888	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Na+HCOOH"	68.994688
"166045"	345.06544	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+2K-H"	76.91904
"603417"	479.13864	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+2K-H"	76.91904
"1092305"	210.99224	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2K-H"	76.91904
"156421"	173.036358	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"2M+2K"	77.926316
"596098"	240.072958	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"3M+2K"	77.926316
"1082800"	105.999758	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2K"	77.926316
"1114914"	213.006792	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2K+H"	78.933592
"1350818"	213.094407	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+DMSO+H"	79.021207
"1014600"	217.133576	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2ACN+H"	83.060376
"1537100"	218.127208	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+IsoProp+Na+H"	84.054008
"1005222"	109.070426	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+2ACN+2H"	84.067652
"1602312"	219.041828	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+K+HCOOH"	84.968628
"1428817"	249.073338	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+H+CF3COOH"	115.000138
"1154001"	129.583701	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+3ACN+2H"	125.094202
"1704644"	266.099885	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+NH4+CF3COOH"	132.026685
"1644673"	271.05528	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+Na+CF3COOH"	136.98208
"1583604"	287.02922	"C16930"	"Chavicol"	"C9H10O"	"134.0732"	"M+K+CF3COOH"	152.95602
"814703"	442.2355	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M"	0
"984225"	423.21711	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-H2O-H"	-19.01839
"67000"	293.816390666667	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M-3H"	-3.021828
"503522"	441.228224	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M-3H"	-3.021828
"883267"	146.404557333333	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-3H"	-3.021828
"2083"	441.228224	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M-2H"	-2.014552
"440006"	662.345974	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M-2H"	-2.014552
"817099"	220.110474	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-2H"	-2.014552
"82481"	883.463724	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M-H"	-1.007276
"531889"	1325.699224	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M-H"	-1.007276
"905316"	441.228224	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-H"	-1.007276
"62370"	900.490271	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M-2H+NH4"	16.019271
"502709"	1342.725771	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M-2H+NH4"	16.019271
"878520"	458.254771	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-2H+NH4"	16.019271
"47035"	905.445666	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M-2H+Na"	20.974666
"486764"	1347.681166	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M-2H+Na"	20.974666
"862328"	463.210166	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-2H+Na"	20.974666
"1634080"	463.210166	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Na-2H"	20.974666
"109771"	459.216563	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M-H+Cl"	33.962126
"549812"	680.334313	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M-H+Cl"	33.962126
"940366"	238.098813	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-H+Cl"	33.962126
"282574"	919.440402	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+Cl"	34.969402
"674750"	1361.675902	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+Cl"	34.969402
"1287277"	477.204902	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Cl"	34.969402
"29590"	921.419606	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M-2H+K"	36.948606
"469144"	1363.655106	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M-2H+K"	36.948606
"845859"	479.184106	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-2H+K"	36.948606
"1568985"	479.184106	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+K-2H"	36.948606
"958471"	487.233694	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-H+HCOOH"	44.998194
"375081"	929.469201	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+HCOOH-H"	44.998201
"361040"	943.484851	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+Hac-H"	59.013851
"1503786"	501.249351	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Hac-H"	59.013851
"968048"	509.215651	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-H+NaCOOH"	66.980151
"118050"	477.204902	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+2Cl"	69.938804
"556515"	698.322652	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+2Cl"	69.938804
"1025678"	256.087152	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2Cl"	69.938804
"1255826"	521.154385	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Br"	78.918885
"1309527"	523.210372	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Cl+HCOOH"	80.974872
"1330302"	545.192329	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Cl+NaCOOH"	102.956829
"922453"	555.221086	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M-H+CF3COOH"	112.985586
"1299160"	591.197764	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Cl+CF3COOH"	148.962264
"1378414"	407.222824	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H-2H2O"	-35.012676
"1383517"	425.2328	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H-H2O"	-17.0027
"289040"	885.478276	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+H"	1.007276
"678181"	1327.713776	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+H"	1.007276
"1365468"	443.242776	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H"	1.007276
"140422"	443.242776	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+2H"	2.014552
"579009"	664.360526	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+2H"	2.014552
"1045627"	222.125026	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2H"	2.014552
"219606"	295.830942666667	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+3H"	3.021828
"649808"	443.242776	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+3H"	3.021828
"1176682"	148.419109333333	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+3H"	3.021828
"435581"	902.504823	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+NH4"	18.033823
"795484"	1344.740323	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+NH4"	18.033823
"1694736"	460.269323	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+NH4"	18.033823
"344469"	451.7560495	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+H+NH4"	19.041099
"735797"	672.8737995	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+H+NH4"	19.041099
"1479776"	230.6382995	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H+NH4"	19.041099
"398456"	907.460218	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+Na"	22.989218
"768570"	1349.695718	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+Na"	22.989218
"1613018"	465.224718	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Na"	22.989218
"327429"	454.233747	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+H+Na"	23.996494
"719493"	675.351497	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+H+Na"	23.996494
"1472579"	233.115997	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H+Na"	23.996494
"1063636"	155.746423333333	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2H+Na"	25.00377
"1263128"	475.268986	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+CH3OH+H"	33.033486
"383889"	923.434158	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+K"	38.963158
"741604"	1365.669658	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+K"	38.963158
"1544748"	481.198658	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+K"	38.963158
"301197"	462.220717	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+H+K"	39.970434
"692040"	683.338467	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+H+K"	39.970434
"1446224"	241.102967	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H+K"	39.970434
"238961"	926.504826	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+ACN+H"	42.033826
"1210125"	484.269326	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+ACN+H"	42.033826
"1198836"	242.638301	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+ACN+2H"	43.041102
"188572"	929.44216	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+2Na-H"	44.97116
"629192"	1371.67766	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+2Na-H"	44.97116
"1139149"	487.20666	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2Na-H"	44.97116
"182442"	465.224718	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+2Na"	45.978436
"622002"	686.342468	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+2Na"	45.978436
"1129885"	244.106968	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2Na"	45.978436
"1405750"	163.073737333333	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H+2Na"	46.985712
"1440060"	489.248246	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H+HCOOH"	47.012746
"231942"	470.25774	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+3H2O+2H"	56.04448
"1518911"	503.30029	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+IsoProp+H"	61.06479
"417505"	473.211688	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+Na+K"	61.952376
"779593"	694.329438	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+Na+K"	61.952376
"1672644"	252.093938	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Na+K"	61.952376
"263539"	948.486768	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+ACN+Na"	64.015768
"1238435"	506.251268	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+ACN+Na"	64.015768
"1722949"	506.274793	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+NH4+HCOOH"	64.039293
"1185026"	170.401051333333	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+3Na"	68.967654
"1657105"	511.230188	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Na+HCOOH"	68.994688
"165062"	961.39004	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+2K-H"	76.91904
"602434"	1403.62554	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+2K-H"	76.91904
"1092415"	519.15454	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2K-H"	76.91904
"156936"	481.198658	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"2M+2K"	77.926316
"595966"	702.316408	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"3M+2K"	77.926316
"1083519"	260.080908	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2K"	77.926316
"1115145"	521.169092	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2K+H"	78.933592
"1351046"	521.256707	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+DMSO+H"	79.021207
"1013617"	525.295876	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2ACN+H"	83.060376
"1537210"	526.289508	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+IsoProp+Na+H"	84.054008
"1005562"	263.151576	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+2ACN+2H"	84.067652
"1602300"	527.204128	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+K+HCOOH"	84.968628
"1428927"	557.235638	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+H+CF3COOH"	115.000138
"1154111"	283.664851	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+3ACN+2H"	125.094202
"1704754"	574.262185	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+NH4+CF3COOH"	132.026685
"1644783"	579.21758	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+Na+CF3COOH"	136.98208
"1583714"	595.19152	"C16931"	"Cinobufagin"	"C26H34O6"	"442.2355"	"M+K+CF3COOH"	152.95602
"816149"	458.2305	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M"	0
"985428"	439.21211	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-H2O-H"	-19.01839
"67110"	304.479724	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M-3H"	-3.021828
"504847"	457.223224	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M-3H"	-3.021828
"884470"	151.736224	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-3H"	-3.021828
"2679"	457.223224	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M-2H"	-2.014552
"441145"	686.338474	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M-2H"	-2.014552
"817528"	228.107974	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-2H"	-2.014552
"82591"	915.453724	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M-H"	-1.007276
"527624"	1373.684224	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M-H"	-1.007276
"905426"	457.223224	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-H"	-1.007276
"60897"	932.480271	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M-2H+NH4"	16.019271
"502409"	1390.710771	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M-2H+NH4"	16.019271
"879237"	474.249771	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-2H+NH4"	16.019271
"40698"	937.435666	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M-2H+Na"	20.974666
"481352"	1395.666166	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M-2H+Na"	20.974666
"863045"	479.205166	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-2H+Na"	20.974666
"1632576"	479.205166	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Na-2H"	20.974666
"103030"	475.211563	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M-H+Cl"	33.962126
"548056"	704.326813	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M-H+Cl"	33.962126
"939383"	246.096313	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-H+Cl"	33.962126
"279763"	951.430402	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+Cl"	34.969402
"674860"	1409.660902	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+Cl"	34.969402
"1286654"	493.199902	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Cl"	34.969402
"27507"	953.409606	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M-2H+K"	36.948606
"465974"	1411.640106	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M-2H+K"	36.948606
"846695"	495.179106	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-2H+K"	36.948606
"1569457"	495.179106	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+K-2H"	36.948606
"958321"	503.228694	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-H+HCOOH"	44.998194
"375798"	961.459201	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+HCOOH-H"	44.998201
"360904"	975.474851	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+Hac-H"	59.013851
"1500615"	517.244351	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Hac-H"	59.013851
"965971"	525.210651	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-H+NaCOOH"	66.980151
"114879"	493.199902	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+2Cl"	69.938804
"556625"	722.315152	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+2Cl"	69.938804
"1023966"	264.084652	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2Cl"	69.938804
"1251562"	537.149385	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Br"	78.918885
"1305627"	539.205372	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Cl+HCOOH"	80.974872
"1329318"	561.187329	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Cl+NaCOOH"	102.956829
"923656"	571.216086	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M-H+CF3COOH"	112.985586
"1295990"	607.192764	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Cl+CF3COOH"	148.962264
"1375244"	423.217824	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H-2H2O"	-35.012676
"1385447"	441.2278	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H-H2O"	-17.0027
"283313"	917.468276	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+H"	1.007276
"676584"	1375.698776	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+H"	1.007276
"1361202"	459.237776	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H"	1.007276
"139559"	459.237776	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+2H"	2.014552
"578026"	688.353026	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+2H"	2.014552
"1043550"	230.122526	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2H"	2.014552
"211452"	306.494276	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+3H"	3.021828
"648095"	459.237776	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+3H"	3.021828
"1174605"	153.750776	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+3H"	3.021828
"435691"	934.494823	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+NH4"	18.033823
"794500"	1392.725323	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+NH4"	18.033823
"1695937"	476.264323	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+NH4"	18.033823
"343486"	467.7510495	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+H+NH4"	19.041099
"735907"	696.8662995	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+H+NH4"	19.041099
"1480979"	238.6357995	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H+NH4"	19.041099
"398566"	939.450218	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+Na"	22.989218
"767586"	1397.680718	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+Na"	22.989218
"1613128"	481.219718	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Na"	22.989218
"327904"	470.228747	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+H+Na"	23.996494
"720327"	699.343997	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+H+Na"	23.996494
"1469409"	241.113497	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H+Na"	23.996494
"1061560"	161.07809	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2H+Na"	25.00377
"1259227"	491.263986	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+CH3OH+H"	33.033486
"380718"	955.424158	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+K"	38.963158
"740982"	1413.654658	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+K"	38.963158
"1540484"	497.193658	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+K"	38.963158
"298705"	478.215717	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+H+K"	39.970434
"694095"	707.330967	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+H+K"	39.970434
"1446455"	249.100467	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H+K"	39.970434
"237976"	958.494826	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+ACN+H"	42.033826
"1210317"	500.264326	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+ACN+H"	42.033826
"1196393"	250.635801	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+ACN+2H"	43.041102
"189623"	961.43216	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+2Na-H"	44.97116
"628933"	1419.66266	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+2Na-H"	44.97116
"1138165"	503.20166	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2Na-H"	44.97116
"176355"	481.219718	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+2Na"	45.978436
"619560"	710.334968	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+2Na"	45.978436
"1123431"	252.104468	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2Na"	45.978436
"1408050"	168.405404	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H+2Na"	46.985712
"1436883"	505.243246	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H+HCOOH"	47.012746
"223304"	486.25274	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+3H2O+2H"	56.04448
"1511001"	519.29529	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+IsoProp+H"	61.06479
"408982"	489.206688	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+Na+K"	61.952376
"771316"	718.321938	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+Na+K"	61.952376
"1667648"	260.091438	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Na+K"	61.952376
"258182"	980.476768	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+ACN+Na"	64.015768
"1229798"	522.246268	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+ACN+Na"	64.015768
"1714672"	522.269793	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+NH4+HCOOH"	64.039293
"1180032"	175.732718	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+3Na"	68.967654
"1650774"	527.225188	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Na+HCOOH"	68.994688
"161890"	993.38004	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+2K-H"	76.91904
"601451"	1451.61054	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+2K-H"	76.91904
"1089242"	535.14954	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2K-H"	76.91904
"157109"	497.193658	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"2M+2K"	77.926316
"595224"	726.308908	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"3M+2K"	77.926316
"1083994"	268.078408	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2K"	77.926316
"1115255"	537.164092	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2K+H"	78.933592
"1351033"	537.251707	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+DMSO+H"	79.021207
"1013727"	541.290876	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2ACN+H"	83.060376
"1537320"	542.284508	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+IsoProp+Na+H"	84.054008
"1005351"	271.149076	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+2ACN+2H"	84.067652
"1601558"	543.199128	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+K+HCOOH"	84.968628
"1427214"	573.230638	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+H+CF3COOH"	115.000138
"1155314"	291.662351	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+3ACN+2H"	125.094202
"1705957"	590.257185	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+NH4+CF3COOH"	132.026685
"1644893"	595.21258	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+Na+CF3COOH"	136.98208
"1583824"	611.18652	"C16932"	"Cinobufotalin"	"C26H34O7"	"458.2305"	"M+K+CF3COOH"	152.95602
"814192"	81.0578	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M"	0
"987725"	62.03941	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-H2O-H"	-19.01839
"67220"	53.0312573333333	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M-3H"	-3.021828
"505687"	80.050524	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M-3H"	-3.021828
"886767"	26.0119906666667	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-3H"	-3.021828
"1695"	80.050524	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M-2H"	-2.014552
"443078"	120.579424	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M-2H"	-2.014552
"818327"	39.521624	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-2H"	-2.014552
"81608"	161.108324	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M-H"	-1.007276
"525548"	242.166124	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M-H"	-1.007276
"905536"	80.050524	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-H"	-1.007276
"60644"	178.134871	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M-2H+NH4"	16.019271
"501303"	259.192671	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M-2H+NH4"	16.019271
"879105"	97.077071	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-2H+NH4"	16.019271
"43360"	183.090266	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M-2H+Na"	20.974666
"483649"	264.148066	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M-2H+Na"	20.974666
"861452"	102.032466	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-2H+Na"	20.974666
"1629890"	102.032466	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Na-2H"	20.974666
"105325"	98.038863	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M-H+Cl"	33.962126
"544885"	138.567763	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M-H+Cl"	33.962126
"937305"	57.509963	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-H+Cl"	33.962126
"272581"	197.085002	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+Cl"	34.969402
"671564"	278.142802	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+Cl"	34.969402
"1286642"	116.027202	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Cl"	34.969402
"27617"	199.064206	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M-2H+K"	36.948606
"466084"	280.122006	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M-2H+K"	36.948606
"844983"	118.006406	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-2H+K"	36.948606
"1568839"	118.006406	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+K-2H"	36.948606
"957825"	126.055994	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-H+HCOOH"	44.998194
"375544"	207.113801	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+HCOOH-H"	44.998201
"361137"	221.129451	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+Hac-H"	59.013851
"1501819"	140.071651	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Hac-H"	59.013851
"968268"	148.037951	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-H+NaCOOH"	66.980151
"113895"	116.027202	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+2Cl"	69.938804
"556735"	156.556102	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+2Cl"	69.938804
"1022983"	75.498302	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2Cl"	69.938804
"1251673"	159.976685	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Br"	78.918885
"1313026"	162.032672	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Cl+HCOOH"	80.974872
"1329428"	184.014629	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Cl+NaCOOH"	102.956829
"924495"	194.043386	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M-H+CF3COOH"	112.985586
"1296100"	230.020064	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Cl+CF3COOH"	148.962264
"1378634"	46.045124	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H-2H2O"	-35.012676
"1387381"	64.0551	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H-H2O"	-17.0027
"283910"	163.122876	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+H"	1.007276
"676940"	244.180676	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+H"	1.007276
"1361312"	82.065076	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H"	1.007276
"139305"	82.065076	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+2H"	2.014552
"578135"	122.593976	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+2H"	2.014552
"1044753"	41.536176	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2H"	2.014552
"211562"	55.0458093333333	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+3H"	3.021828
"648934"	82.065076	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+3H"	3.021828
"1174351"	28.0265426666667	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+3H"	3.021828
"434708"	180.149423	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+NH4"	18.033823
"794610"	261.207223	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+NH4"	18.033823
"1694225"	99.091623	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+NH4"	18.033823
"342503"	90.5783495	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+H+NH4"	19.041099
"733831"	131.1072495	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+H+NH4"	19.041099
"1481089"	50.0494495	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H+NH4"	19.041099
"397582"	185.104818	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+Na"	22.989218
"766965"	266.162618	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+Na"	22.989218
"1613238"	104.047018	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Na"	22.989218
"325462"	93.056047	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+H+Na"	23.996494
"715698"	133.584947	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+H+Na"	23.996494
"1469521"	52.527147	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H+Na"	23.996494
"1060577"	35.3538566666667	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2H+Na"	25.00377
"1261159"	114.091286	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+CH3OH+H"	33.033486
"380828"	201.078758	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+K"	38.963158
"741093"	282.136558	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+K"	38.963158
"1542780"	120.020958	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+K"	38.963158
"299348"	101.043017	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+H+K"	39.970434
"694570"	141.571917	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+H+K"	39.970434
"1446808"	60.514117	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H+K"	39.970434
"238086"	204.149426	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+ACN+H"	42.033826
"1212373"	123.091626	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+ACN+H"	42.033826
"1195647"	62.049451	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+ACN+2H"	43.041102
"189975"	207.08676	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+2Na-H"	44.97116
"629287"	288.14456	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+2Na-H"	44.97116
"1138275"	126.02896	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2Na-H"	44.97116
"176464"	104.047018	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+2Na"	45.978436
"619670"	144.575918	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+2Na"	45.978436
"1118436"	63.518118	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2Na"	45.978436
"1408160"	42.6811706666667	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H+2Na"	46.985712
"1434807"	128.070546	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H+HCOOH"	47.012746
"224507"	109.08004	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+3H2O+2H"	56.04448
"1510379"	142.12259	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+IsoProp+H"	61.06479
"410067"	112.033988	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+Na+K"	61.952376
"771304"	152.562888	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+Na+K"	61.952376
"1668123"	71.505088	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Na+K"	61.952376
"254644"	226.131368	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+ACN+Na"	64.015768
"1227353"	145.073568	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+ACN+Na"	64.015768
"1713563"	145.097093	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+NH4+HCOOH"	64.039293
"1178747"	50.0084846666667	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+3Na"	68.967654
"1652951"	150.052488	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Na+HCOOH"	68.994688
"164187"	239.03464	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+2K-H"	76.91904
"602654"	320.09244	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+2K-H"	76.91904
"1087166"	157.97684	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2K-H"	76.91904
"156505"	120.020958	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"2M+2K"	77.926316
"596306"	160.549858	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"3M+2K"	77.926316
"1083009"	79.492058	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2K"	77.926316
"1114514"	159.991392	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2K+H"	78.933592
"1350534"	160.079007	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+DMSO+H"	79.021207
"1013837"	164.118176	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2ACN+H"	83.060376
"1536337"	165.111808	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+IsoProp+Na+H"	84.054008
"1005223"	82.562726	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+2ACN+2H"	84.067652
"1601914"	166.026428	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+K+HCOOH"	84.968628
"1425138"	196.057938	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+H+CF3COOH"	115.000138
"1158704"	103.076001	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+3ACN+2H"	125.094202
"1704974"	213.084485	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+NH4+CF3COOH"	132.026685
"1642816"	218.03988	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+Na+CF3COOH"	136.98208
"1583934"	234.01382	"C16933"	"36-Dihydropyridine"	"C5H7N"	"81.0578"	"M+K+CF3COOH"	152.95602
"814302"	194.1307	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M"	0
"987835"	175.11231	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-H2O-H"	-19.01839
"67327"	128.413190666667	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M-3H"	-3.021828
"507983"	193.123424	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M-3H"	-3.021828
"889063"	63.7029573333333	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-3H"	-3.021828
"1196"	193.123424	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M-2H"	-2.014552
"442824"	290.188774	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M-2H"	-2.014552
"819530"	96.058074	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-2H"	-2.014552
"83175"	387.254124	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M-H"	-1.007276
"527844"	581.384824	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M-H"	-1.007276
"906739"	193.123424	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-H"	-1.007276
"61732"	404.280671	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M-2H+NH4"	16.019271
"501048"	598.411371	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M-2H+NH4"	16.019271
"877027"	210.149971	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-2H+NH4"	16.019271
"43834"	409.236066	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M-2H+Na"	20.974666
"483759"	603.366766	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M-2H+Na"	20.974666
"858282"	215.105366	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-2H+Na"	20.974666
"1626720"	215.105366	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Na-2H"	20.974666
"104341"	211.111763	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M-H+Cl"	33.962126
"544994"	308.177113	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M-H+Cl"	33.962126
"937414"	114.046413	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-H+Cl"	33.962126
"270504"	423.230802	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+Cl"	34.969402
"665111"	617.361502	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+Cl"	34.969402
"1279703"	229.100102	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Cl"	34.969402
"22259"	425.210006	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M-2H+K"	36.948606
"458538"	619.340706	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M-2H+K"	36.948606
"843996"	231.079306	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-2H+K"	36.948606
"1568219"	231.079306	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+K-2H"	36.948606
"956961"	239.128894	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-H+HCOOH"	44.998194
"375407"	433.259601	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+HCOOH-H"	44.998201
"360028"	447.275251	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+Hac-H"	59.013851
"1504115"	253.144551	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Hac-H"	59.013851
"962545"	261.110851	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-H+NaCOOH"	66.980151
"112183"	229.100102	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+2Cl"	69.938804
"557938"	326.165452	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+2Cl"	69.938804
"1024183"	132.034752	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2Cl"	69.938804
"1249594"	273.049585	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Br"	78.918885
"1309855"	275.105572	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Cl+HCOOH"	80.974872
"1327351"	297.087529	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Cl+NaCOOH"	102.956829
"921689"	307.116286	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M-H+CF3COOH"	112.985586
"1298397"	343.092964	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Cl+CF3COOH"	148.962264
"1375464"	159.118024	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H-2H2O"	-35.012676
"1384576"	177.128	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H-H2O"	-17.0027
"284265"	389.268676	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+H"	1.007276
"678508"	583.399376	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+H"	1.007276
"1363974"	195.137976	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H"	1.007276
"138687"	195.137976	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+2H"	2.014552
"578245"	292.203326	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+2H"	2.014552
"1044863"	98.072626	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2H"	2.014552
"211672"	130.427742666667	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+3H"	3.021828
"648315"	195.137976	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+3H"	3.021828
"1174825"	65.7175093333333	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+3H"	3.021828
"428619"	406.295223	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+NH4"	18.033823
"794719"	600.425923	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+NH4"	18.033823
"1692146"	212.164523	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+NH4"	18.033823
"345663"	203.6512495	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+H+NH4"	19.041099
"736127"	300.7165995	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+H+NH4"	19.041099
"1482290"	106.5858995	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H+NH4"	19.041099
"398780"	411.250618	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+Na"	22.989218
"768531"	605.381318	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+Na"	22.989218
"1613348"	217.119918	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Na"	22.989218
"325572"	206.128947	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+H+Na"	23.996494
"715808"	303.194297	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+H+Na"	23.996494
"1468538"	109.063597	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H+Na"	23.996494
"1059594"	73.0448233333333	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2H+Na"	25.00377
"1259448"	227.164186	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+CH3OH+H"	33.033486
"379116"	427.224558	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+K"	38.963158
"740841"	621.355258	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+K"	38.963158
"1541797"	233.093858	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+K"	38.963158
"300432"	214.115917	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+H+K"	39.970434
"694680"	311.181267	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+H+K"	39.970434
"1447040"	117.050567	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H+K"	39.970434
"237831"	430.295226	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+ACN+H"	42.033826
"1212725"	236.164526	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+ACN+H"	42.033826
"1196367"	118.585901	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+ACN+2H"	43.041102
"191302"	433.23256	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+2Na-H"	44.97116
"629403"	627.36326	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+2Na-H"	44.97116
"1138385"	239.10186	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2Na-H"	44.97116
"178760"	217.119918	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+2Na"	45.978436
"620509"	314.185268	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+2Na"	45.978436
"1120003"	120.054568	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2Na"	45.978436
"1404988"	80.3721373333333	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H+2Na"	46.985712
"1435278"	241.143446	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H+HCOOH"	47.012746
"222429"	222.15294	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+3H2O+2H"	56.04448
"1511582"	255.19549	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+IsoProp+H"	61.06479
"410905"	225.106888	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+Na+K"	61.952376
"772992"	322.172238	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+Na+K"	61.952376
"1668233"	128.041538	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Na+K"	61.952376
"254023"	452.277168	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+ACN+Na"	64.015768
"1227092"	258.146468	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+ACN+Na"	64.015768
"1712814"	258.169993	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+NH4+HCOOH"	64.039293
"1178822"	87.6994513333333	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+3Na"	68.967654
"1650385"	263.125388	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Na+HCOOH"	68.994688
"164297"	465.18044	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+2K-H"	76.91904
"601671"	659.31114	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+2K-H"	76.91904
"1089462"	271.04974	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2K-H"	76.91904
"156978"	233.093858	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"2M+2K"	77.926316
"595444"	330.159208	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"3M+2K"	77.926316
"1083487"	136.028508	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2K"	77.926316
"1112314"	273.064292	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2K+H"	78.933592
"1348699"	273.151907	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+DMSO+H"	79.021207
"1011760"	277.191076	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2ACN+H"	83.060376
"1533167"	278.184708	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+IsoProp+Na+H"	84.054008
"1005209"	139.099176	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+2ACN+2H"	84.067652
"1601536"	279.099328	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+K+HCOOH"	84.968628
"1428527"	309.130838	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+H+CF3COOH"	115.000138
"1158814"	159.612451	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+3ACN+2H"	125.094202
"1705084"	326.157385	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+NH4+CF3COOH"	132.026685
"1642926"	331.11278	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+Na+CF3COOH"	136.98208
"1584044"	347.08672	"C16937"	"Cnidilide"	"C12H18O2"	"194.1307"	"M+K+CF3COOH"	152.95602
"815507"	320.0923	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M"	0
"986488"	301.07391	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-H2O-H"	-19.01839
"67441"	212.387590666667	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M-3H"	-3.021828
"502852"	319.085024	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M-3H"	-3.021828
"881519"	105.690157333333	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-3H"	-3.021828
"214"	319.085024	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M-2H"	-2.014552
"441108"	479.131174	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M-2H"	-2.014552
"818546"	159.038874	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-2H"	-2.014552
"82921"	639.177324	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M-H"	-1.007276
"531233"	959.269624	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M-H"	-1.007276
"910862"	319.085024	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-H"	-1.007276
"62733"	656.203871	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M-2H+NH4"	16.019271
"496420"	976.296171	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M-2H+NH4"	16.019271
"877502"	336.111571	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-2H+NH4"	16.019271
"44308"	661.159266	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M-2H+Na"	20.974666
"484963"	981.251566	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M-2H+Na"	20.974666
"861673"	341.066966	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-2H+Na"	20.974666
"1625736"	341.066966	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Na-2H"	20.974666
"101171"	337.073363	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M-H+Cl"	33.962126
"541824"	497.119513	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M-H+Cl"	33.962126
"935338"	177.027213	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-H+Cl"	33.962126
"271707"	675.154002	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+Cl"	34.969402
"671784"	995.246302	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+Cl"	34.969402
"1285281"	355.061702	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Cl"	34.969402
"28931"	677.133206	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M-2H+K"	36.948606
"466304"	997.225506	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M-2H+K"	36.948606
"844106"	357.040906	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-2H+K"	36.948606
"1571083"	357.040906	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+K-2H"	36.948606
"958202"	365.090494	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-H+HCOOH"	44.998194
"376248"	685.182801	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+HCOOH-H"	44.998201
"359403"	699.198451	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+Hac-H"	59.013851
"1504225"	379.106151	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Hac-H"	59.013851
"964115"	387.072451	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-H+NaCOOH"	66.980151
"115208"	355.061702	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+2Cl"	69.938804
"552580"	515.107852	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+2Cl"	69.938804
"1025753"	195.015552	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2Cl"	69.938804
"1244237"	399.011185	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Br"	78.918885
"1308872"	401.067172	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Cl+HCOOH"	80.974872
"1323089"	423.049129	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Cl+NaCOOH"	102.956829
"913781"	433.077886	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M-H+CF3COOH"	112.985586
"1291948"	469.054564	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Cl+CF3COOH"	148.962264
"1368284"	285.079624	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H-2H2O"	-35.012676
"1383226"	303.0896	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H-H2O"	-17.0027
"284372"	641.191876	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+H"	1.007276
"682997"	961.284176	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+H"	1.007276
"1359345"	321.099576	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H"	1.007276
"132234"	321.099576	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+2H"	2.014552
"578358"	481.145726	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+2H"	2.014552
"1046061"	161.053426	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2H"	2.014552
"211782"	214.402142666667	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+3H"	3.021828
"659001"	321.099576	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+3H"	3.021828
"1174573"	107.704709333333	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+3H"	3.021828
"428729"	658.218423	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+NH4"	18.033823
"791549"	978.310723	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+NH4"	18.033823
"1695904"	338.126123	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+NH4"	18.033823
"343816"	329.6128495	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+H+NH4"	19.041099
"731864"	489.6589995	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+H+NH4"	19.041099
"1482402"	169.5666995	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H+NH4"	19.041099
"395977"	663.173818	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+Na"	22.989218
"767184"	983.266118	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+Na"	22.989218
"1611272"	343.081518	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Na"	22.989218
"318027"	332.090547	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+H+Na"	23.996494
"717011"	492.136697	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+H+Na"	23.996494
"1466458"	172.044397	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H+Na"	23.996494
"1055693"	115.032023333333	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2H+Na"	25.00377
"1261382"	353.125786	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+CH3OH+H"	33.033486
"378010"	679.147758	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+K"	38.963158
"743136"	999.240058	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+K"	38.963158
"1542273"	359.055458	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+K"	38.963158
"300542"	340.077517	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+H+K"	39.970434
"692237"	500.123667	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+H+K"	39.970434
"1446419"	180.031367	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H+K"	39.970434
"236117"	682.218426	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+ACN+H"	42.033826
"1211137"	362.126126	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+ACN+H"	42.033826
"1197451"	181.566701	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+ACN+2H"	43.041102
"193239"	685.15576	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+2Na-H"	44.97116
"631700"	1005.24806	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+2Na-H"	44.97116
"1138862"	365.06346	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2Na-H"	44.97116
"178870"	343.081518	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+2Na"	45.978436
"616245"	503.127668	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+2Na"	45.978436
"1121575"	183.035368	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2Na"	45.978436
"1405098"	122.359337333333	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H+2Na"	46.985712
"1434297"	367.105046	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H+HCOOH"	47.012746
"222540"	348.11454	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+3H2O+2H"	56.04448
"1510600"	381.15709	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+IsoProp+H"	61.06479
"411748"	351.068488	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+Na+K"	61.952376
"773837"	511.114638	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+Na+K"	61.952376
"1667617"	191.022338	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Na+K"	61.952376
"254136"	704.200368	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+ACN+Na"	64.015768
"1227573"	384.108068	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+ACN+Na"	64.015768
"1714633"	384.131593	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+NH4+HCOOH"	64.039293
"1180353"	129.686651333333	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+3Na"	68.967654
"1652443"	389.086988	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Na+HCOOH"	68.994688
"161127"	717.10364	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+2K-H"	76.91904
"601780"	1037.19594	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+2K-H"	76.91904
"1085681"	397.01134	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2K-H"	76.91904
"156894"	359.055458	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"2M+2K"	77.926316
"596662"	519.101608	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"3M+2K"	77.926316
"1083231"	199.009308	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2K"	77.926316
"1115583"	399.025892	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2K+H"	78.933592
"1350878"	399.113507	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+DMSO+H"	79.021207
"1017339"	403.152676	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2ACN+H"	83.060376
"1539116"	404.146308	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+IsoProp+Na+H"	84.054008
"1005206"	202.079976	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+2ACN+2H"	84.067652
"1601887"	405.060928	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+K+HCOOH"	84.968628
"1426087"	435.092438	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+H+CF3COOH"	115.000138
"1156737"	222.593251	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+3ACN+2H"	125.094202
"1701914"	452.118985	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+NH4+CF3COOH"	132.026685
"1648503"	457.07438	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+Na+CF3COOH"	136.98208
"1584154"	473.04832	"C16938"	"Coptisine"	"C19H14NO4"	"320.0923"	"M+K+CF3COOH"	152.95602
"814523"	472.3553	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M"	0
"985869"	453.33691	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-H2O-H"	-19.01839
"64635"	313.896257333333	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M-3H"	-3.021828
"502931"	471.348024	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M-3H"	-3.021828
"880536"	156.444490666667	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-3H"	-3.021828
"1297"	471.348024	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M-2H"	-2.014552
"441219"	707.525674	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M-2H"	-2.014552
"818656"	235.170374	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-2H"	-2.014552
"81208"	943.703324	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M-H"	-1.007276
"528064"	1416.058624	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M-H"	-1.007276
"909149"	471.348024	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-H"	-1.007276
"62786"	960.729871	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M-2H+NH4"	16.019271
"495437"	1433.085171	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M-2H+NH4"	16.019271
"875425"	488.374571	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-2H+NH4"	16.019271
"44054"	965.685266	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M-2H+Na"	20.974666
"483980"	1438.040566	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M-2H+Na"	20.974666
"860689"	493.329966	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-2H+Na"	20.974666
"1624753"	493.329966	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Na-2H"	20.974666
"101281"	489.336363	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M-H+Cl"	33.962126
"540841"	725.514013	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M-H+Cl"	33.962126
"934355"	253.158713	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-H+Cl"	33.962126
"271817"	979.680002	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+Cl"	34.969402
"672987"	1452.035302	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+Cl"	34.969402
"1285391"	507.324702	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Cl"	34.969402
"28677"	981.659206	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M-2H+K"	36.948606
"466414"	1454.014506	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M-2H+K"	36.948606
"844216"	509.303906	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-2H+K"	36.948606
"1569896"	509.303906	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+K-2H"	36.948606
"957904"	517.353494	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-H+HCOOH"	44.998194
"374536"	989.708801	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+HCOOH-H"	44.998201
"358420"	1003.724451	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+Hac-H"	59.013851
"1504335"	531.369151	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Hac-H"	59.013851
"964225"	539.335451	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-H+NaCOOH"	66.980151
"112037"	507.324702	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+2Cl"	69.938804
"550866"	743.502352	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+2Cl"	69.938804
"1022947"	271.147052	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2Cl"	69.938804
"1242524"	551.274185	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Br"	78.918885
"1308983"	553.330172	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Cl+HCOOH"	80.974872
"1322105"	575.312129	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Cl+NaCOOH"	102.956829
"913891"	585.340886	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M-H+CF3COOH"	112.985586
"1293151"	621.317564	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Cl+CF3COOH"	148.962264
"1367663"	437.342624	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H-2H2O"	-35.012676
"1383051"	455.3526	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H-H2O"	-17.0027
"282978"	945.717876	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+H"	1.007276
"686387"	1418.073176	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+H"	1.007276
"1359455"	473.362576	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H"	1.007276
"131250"	473.362576	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+2H"	2.014552
"579199"	709.540226	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+2H"	2.014552
"1042891"	237.184926	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2H"	2.014552
"211892"	315.910809333333	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+3H"	3.021828
"655828"	473.362576	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+3H"	3.021828
"1173954"	158.459042666667	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+3H"	3.021828
"427382"	962.744423	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+NH4"	18.033823
"791659"	1435.099723	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+NH4"	18.033823
"1691640"	490.389123	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+NH4"	18.033823
"343198"	481.8758495	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+H+NH4"	19.041099
"729786"	718.0534995	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+H+NH4"	19.041099
"1483605"	245.6981995	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H+NH4"	19.041099
"396816"	967.699818	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+Na"	22.989218
"763284"	1440.055118	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+Na"	22.989218
"1612475"	495.344518	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Na"	22.989218
"319229"	484.353547	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+H+Na"	23.996494
"717121"	720.531197	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+H+Na"	23.996494
"1465474"	248.175897	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H+Na"	23.996494
"1054710"	165.786356666667	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2H+Na"	25.00377
"1260762"	505.388786	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+CH3OH+H"	33.033486
"377348"	983.673758	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+K"	38.963158
"739966"	1456.029058	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+K"	38.963158
"1539909"	511.318458	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+K"	38.963158
"298827"	492.340517	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+H+K"	39.970434
"691493"	728.518167	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+H+K"	39.970434
"1445670"	256.162867	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H+K"	39.970434
"235789"	986.744426	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+ACN+H"	42.033826
"1210390"	514.389126	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+ACN+H"	42.033826
"1194288"	257.698201	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+ACN+2H"	43.041102
"191156"	989.68176	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+2Na-H"	44.97116
"632540"	1462.03706	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+2Na-H"	44.97116
"1134592"	517.32646	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2Na-H"	44.97116
"176064"	495.344518	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+2Na"	45.978436
"615990"	731.522168	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+2Na"	45.978436
"1119860"	259.166868	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2Na"	45.978436
"1405208"	173.113670666667	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H+2Na"	46.985712
"1435135"	519.368046	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H+HCOOH"	47.012746
"220535"	500.37754	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+3H2O+2H"	56.04448
"1509735"	533.42009	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+H"	61.06479
"410035"	503.331488	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+Na+K"	61.952376
"772850"	739.509138	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+Na+K"	61.952376
"1666995"	267.153838	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Na+K"	61.952376
"251971"	1008.726368	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+ACN+Na"	64.015768
"1227316"	536.371068	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+ACN+Na"	64.015768
"1712832"	536.394593	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+NH4+HCOOH"	64.039293
"1179085"	180.440984666667	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+3Na"	68.967654
"1651212"	541.349988	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Na+HCOOH"	68.994688
"160143"	1021.62964	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+2K-H"	76.91904
"597227"	1493.98494	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+2K-H"	76.91904
"1085427"	549.27434	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2K-H"	76.91904
"141469"	511.318458	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"2M+2K"	77.926316
"595543"	747.496108	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"3M+2K"	77.926316
"1082487"	275.140808	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2K"	77.926316
"1115376"	551.288892	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2K+H"	78.933592
"1350743"	551.376507	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+DMSO+H"	79.021207
"1016356"	555.415676	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2ACN+H"	83.060376
"1539700"	556.409308	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+Na+H"	84.054008
"1004828"	278.211476	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+2ACN+2H"	84.067652
"1601756"	557.323928	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+K+HCOOH"	84.968628
"1427290"	587.355438	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+H+CF3COOH"	115.000138
"1155754"	298.724751	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+3ACN+2H"	125.094202
"1700931"	604.381985	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+NH4+CF3COOH"	132.026685
"1649585"	609.33738	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+Na+CF3COOH"	136.98208
"1584264"	625.31132	"C16939"	"Crataegolic acid;Masilinic acid"	"C30H48O4"	"472.3553"	"M+K+CF3COOH"	152.95602
"814634"	288.0634	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M"	0
"987072"	269.04501	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-H2O-H"	-19.01839
"64381"	191.034990666667	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M-3H"	-3.021828
"503940"	287.056124	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M-3H"	-3.021828
"885021"	95.0138573333333	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-3H"	-3.021828
"2501"	287.056124	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M-2H"	-2.014552
"442061"	431.087824	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M-2H"	-2.014552
"821320"	143.024424	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-2H"	-2.014552
"81318"	575.119524	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M-H"	-1.007276
"527081"	863.182924	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M-H"	-1.007276
"910231"	287.056124	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-H"	-1.007276
"60848"	592.146071	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M-2H+NH4"	16.019271
"498463"	880.209471	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M-2H+NH4"	16.019271
"875172"	304.082671	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-2H+NH4"	16.019271
"43435"	597.101466	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M-2H+Na"	20.974666
"483727"	885.164866	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M-2H+Na"	20.974666
"859707"	309.038066	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-2H+Na"	20.974666
"1628143"	309.038066	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Na-2H"	20.974666
"103578"	305.044463	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M-H+Cl"	33.962126
"544231"	449.076163	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M-H+Cl"	33.962126
"934465"	161.012763	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-H+Cl"	33.962126
"271927"	611.096202	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+Cl"	34.969402
"670911"	899.159602	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+Cl"	34.969402
"1281128"	323.032802	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Cl"	34.969402
"27694"	613.075406	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M-2H+K"	36.948606
"465431"	901.138806	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M-2H+K"	36.948606
"844326"	325.012006	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-2H+K"	36.948606
"1570737"	325.012006	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+K-2H"	36.948606
"958453"	333.061594	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-H+HCOOH"	44.998194
"375375"	621.125001	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+HCOOH-H"	44.998201
"353427"	635.140651	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+Hac-H"	59.013851
"1503352"	347.077251	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Hac-H"	59.013851
"959959"	355.043551	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-H+NaCOOH"	66.980151
"112510"	323.032802	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+2Cl"	69.938804
"550614"	467.064502	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+2Cl"	69.938804
"1022693"	179.001102	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2Cl"	69.938804
"1241906"	366.982285	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Br"	78.918885
"1309093"	369.038272	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Cl+HCOOH"	80.974872
"1325495"	391.020229	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Cl+NaCOOH"	102.956829
"915460"	401.048986	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M-H+CF3COOH"	112.985586
"1293261"	437.025664	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Cl+CF3COOH"	148.962264
"1367411"	253.050724	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H-2H2O"	-35.012676
"1383000"	271.0607	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H-H2O"	-17.0027
"283089"	577.134076	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+H"	1.007276
"686497"	865.197476	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+H"	1.007276
"1359565"	289.070676	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H"	1.007276
"131361"	289.070676	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+2H"	2.014552
"579312"	433.102376	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+2H"	2.014552
"1046280"	145.038976	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2H"	2.014552
"211631"	193.049542666667	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+3H"	3.021828
"648641"	289.070676	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+3H"	3.021828
"1169688"	97.0284093333333	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+3H"	3.021828
"431864"	594.160623	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+NH4"	18.033823
"790675"	882.224023	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+NH4"	18.033823
"1689198"	306.097223	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+NH4"	18.033823
"338568"	297.5839495	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+H+NH4"	19.041099
"732082"	441.6156495	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+H+NH4"	19.041099
"1483715"	153.5522495	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H+NH4"	19.041099
"399112"	599.116018	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+Na"	22.989218
"765578"	887.179418	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+Na"	22.989218
"1610397"	311.052618	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Na"	22.989218
"319339"	300.061647	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+H+Na"	23.996494
"718324"	444.093347	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+H+Na"	23.996494
"1465583"	156.029947	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H+Na"	23.996494
"1054454"	104.355723333333	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2H+Na"	25.00377
"1258438"	321.096886	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+CH3OH+H"	33.033486
"380173"	615.089958	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+K"	38.963158
"738860"	903.153358	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+K"	38.963158
"1540666"	327.026558	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+K"	38.963158
"298935"	308.048617	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+H+K"	39.970434
"692457"	452.080317	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+H+K"	39.970434
"1446275"	164.016917	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H+K"	39.970434
"235798"	618.160626	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+ACN+H"	42.033826
"1210251"	330.097226	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+ACN+H"	42.033826
"1194261"	165.552251	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+ACN+2H"	43.041102
"188634"	621.09796	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+2Na-H"	44.97116
"628528"	909.16136	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+2Na-H"	44.97116
"1131406"	333.03456	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2Na-H"	44.97116
"174707"	311.052618	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+2Na"	45.978436
"616100"	455.084318	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+2Na"	45.978436
"1118877"	167.020918	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2Na"	45.978436
"1405318"	111.683037333333	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H+2Na"	46.985712
"1434517"	335.076146	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H+HCOOH"	47.012746
"221660"	316.08564	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+3H2O+2H"	56.04448
"1511915"	349.12819	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+IsoProp+H"	61.06479
"409780"	319.039588	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+Na+K"	61.952376
"772232"	463.071288	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+Na+K"	61.952376
"1667108"	175.007888	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Na+K"	61.952376
"253258"	640.142568	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+ACN+Na"	64.015768
"1228155"	352.079168	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+ACN+Na"	64.015768
"1712765"	352.102693	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+NH4+HCOOH"	64.039293
"1180208"	119.010351333333	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+3Na"	68.967654
"1651201"	357.058088	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Na+HCOOH"	68.994688
"158063"	653.04584	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+2K-H"	76.91904
"598717"	941.10924	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+2K-H"	76.91904
"1084357"	364.98244	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2K-H"	76.91904
"141866"	327.026558	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"2M+2K"	77.926316
"590551"	471.058258	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"3M+2K"	77.926316
"1079438"	182.994858	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2K"	77.926316
"1112647"	366.996992	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2K+H"	78.933592
"1347938"	367.084607	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+DMSO+H"	79.021207
"1010998"	371.123776	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2ACN+H"	83.060376
"1536783"	372.117408	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+IsoProp+Na+H"	84.054008
"1005176"	186.065526	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+2ACN+2H"	84.067652
"1598826"	373.032028	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+K+HCOOH"	84.968628
"1423390"	403.063538	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+H+CF3COOH"	115.000138
"1154771"	206.578801	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+3ACN+2H"	125.094202
"1699948"	420.090085	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+NH4+CF3COOH"	132.026685
"1648359"	425.04548	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+Na+CF3COOH"	136.98208
"1584374"	441.01942	"C16940"	"Carthamidin"	"C15H12O6"	"288.0634"	"M+K+CF3COOH"	152.95602
"814378"	910.2168	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M"	0
"987181"	891.19841	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-H2O-H"	-19.01839
"64487"	605.803924	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M-3H"	-3.021828
"505141"	909.209524	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M-3H"	-3.021828
"881848"	302.398324	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-3H"	-3.021828
"299"	909.209524	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M-2H"	-2.014552
"442171"	1364.317924	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M-2H"	-2.014552
"819243"	454.101124	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-2H"	-2.014552
"82157"	1819.426324	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M-H"	-1.007276
"528284"	2729.643124	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M-H"	-1.007276
"909857"	909.209524	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-H"	-1.007276
"59986"	1836.452871	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M-2H+NH4"	16.019271
"497480"	2746.669671	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M-2H+NH4"	16.019271
"874189"	926.236071	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-2H+NH4"	16.019271
"42819"	1841.408266	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M-2H+Na"	20.974666
"483108"	2751.625066	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M-2H+Na"	20.974666
"858724"	931.191466	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-2H+Na"	20.974666
"1632627"	931.191466	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Na-2H"	20.974666
"105875"	927.197863	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M-H+Cl"	33.962126
"545435"	1382.306263	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M-H+Cl"	33.962126
"932388"	472.089463	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-H+Cl"	33.962126
"269121"	1855.403002	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+Cl"	34.969402
"669928"	2765.619802	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+Cl"	34.969402
"1284518"	945.186202	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Cl"	34.969402
"27075"	1857.382206	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M-2H+K"	36.948606
"466634"	2767.599006	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M-2H+K"	36.948606
"846260"	947.165406	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-2H+K"	36.948606
"1569387"	947.165406	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+K-2H"	36.948606
"958212"	955.214994	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-H+HCOOH"	44.998194
"376508"	1865.431801	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+HCOOH-H"	44.998201
"360348"	1879.447451	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+Hac-H"	59.013851
"1508080"	969.230651	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Hac-H"	59.013851
"963348"	977.196951	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-H+NaCOOH"	66.980151
"117723"	945.186202	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+2Cl"	69.938804
"552910"	1400.294602	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+2Cl"	69.938804
"1024989"	490.077802	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2Cl"	69.938804
"1243110"	989.135685	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Br"	78.918885
"1311390"	991.191672	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Cl+HCOOH"	80.974872
"1326699"	1013.173629	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Cl+NaCOOH"	102.956829
"924316"	1023.202386	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M-H+CF3COOH"	112.985586
"1293371"	1059.179064	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Cl+CF3COOH"	148.962264
"1368615"	875.204124	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H-2H2O"	-35.012676
"1382983"	893.2141	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H-H2O"	-17.0027
"282860"	1821.440876	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+H"	1.007276
"685513"	2731.657676	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+H"	1.007276
"1359675"	911.224076	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H"	1.007276
"131471"	911.224076	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+2H"	2.014552
"578686"	1366.332476	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+2H"	2.014552
"1043476"	456.115676	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2H"	2.014552
"208097"	607.818476	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+3H"	3.021828
"649846"	911.224076	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+3H"	3.021828
"1170521"	304.412876	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+3H"	3.021828
"431245"	1838.467423	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+NH4"	18.033823
"792971"	2748.684223	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+NH4"	18.033823
"1689308"	928.250623	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+NH4"	18.033823
"335398"	919.7373495	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+H+NH4"	19.041099
"735108"	1374.8457495	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+H+NH4"	19.041099
"1483825"	464.6289495	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H+NH4"	19.041099
"398129"	1843.422818	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+Na"	22.989218
"762408"	2753.639618	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+Na"	22.989218
"1606133"	933.206018	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Na"	22.989218
"317263"	922.215047	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+H+Na"	23.996494
"715153"	1377.323447	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+H+Na"	23.996494
"1463870"	467.106647	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H+Na"	23.996494
"1053263"	311.74019	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2H+Na"	25.00377
"1259154"	943.250286	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+CH3OH+H"	33.033486
"383560"	1859.396758	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+K"	38.963158
"741640"	2769.613558	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+K"	38.963158
"1540530"	949.179958	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+K"	38.963158
"299287"	930.202017	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+H+K"	39.970434
"692931"	1385.310417	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+H+K"	39.970434
"1446750"	475.093617	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H+K"	39.970434
"236435"	1862.467426	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+ACN+H"	42.033826
"1210482"	952.250626	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+ACN+H"	42.033826
"1194849"	476.628951	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+ACN+2H"	43.041102
"189788"	1865.40476	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+2Na-H"	44.97116
"629468"	2775.62156	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+2Na-H"	44.97116
"1131723"	955.18796	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2Na-H"	44.97116
"175546"	933.206018	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+2Na"	45.978436
"616575"	1388.314418	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+2Na"	45.978436
"1118623"	478.097618	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2Na"	45.978436
"1405428"	319.067504	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H+2Na"	46.985712
"1434627"	957.229546	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H+HCOOH"	47.012746
"225054"	938.23904	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+3H2O+2H"	56.04448
"1509831"	971.28159	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+IsoProp+H"	61.06479
"409891"	941.192988	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+Na+K"	61.952376
"771979"	1396.301388	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+Na+K"	61.952376
"1666848"	486.084588	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Na+K"	61.952376
"253369"	1884.449368	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+ACN+Na"	64.015768
"1227170"	974.232568	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+ACN+Na"	64.015768
"1712851"	974.256093	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+NH4+HCOOH"	64.039293
"1178654"	326.394818	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+3Na"	68.967654
"1650575"	979.211488	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Na+HCOOH"	68.994688
"157561"	1897.35264	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+2K-H"	76.91904
"597137"	2807.56944	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+2K-H"	76.91904
"1084429"	987.13584	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2K-H"	76.91904
"141488"	949.179958	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"2M+2K"	77.926316
"596006"	1404.288358	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"3M+2K"	77.926316
"1082586"	494.071558	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2K"	77.926316
"1114581"	989.150392	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2K+H"	78.933592
"1349264"	989.238007	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+DMSO+H"	79.021207
"1014388"	993.277176	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2ACN+H"	83.060376
"1538107"	994.270808	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+IsoProp+Na+H"	84.054008
"1005286"	497.142226	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+2ACN+2H"	84.067652
"1600029"	995.185428	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+K+HCOOH"	84.968628
"1425686"	1025.216938	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+H+CF3COOH"	115.000138
"1155974"	517.655501	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+3ACN+2H"	125.094202
"1700058"	1042.243485	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+NH4+CF3COOH"	132.026685
"1646645"	1047.19888	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+Na+CF3COOH"	136.98208
"1584484"	1063.17282	"C16941"	"Carthamin"	"C43H42O22"	"910.2168"	"M+K+CF3COOH"	152.95602
"816886"	234.162	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M"	0
"989239"	215.14361	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"67880"	155.100724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"508534"	233.154724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"887429"	77.046724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"1993"	233.154724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"446657"	350.235724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"822270"	116.073724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"86643"	467.316724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"530580"	701.478724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"909478"	233.154724	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"61302"	484.343271	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"500132"	718.505271	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"877942"	250.181271	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"40372"	489.298666	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"483213"	723.460666	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"855546"	255.136666	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1632250"	255.136666	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"107077"	251.143063	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"546637"	368.224063	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"932498"	134.062063	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"270325"	503.293402	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"670037"	737.455402	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1284628"	269.131402	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"29007"	505.272606	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"463464"	739.434606	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"844546"	271.110606	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1569862"	271.110606	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"958250"	279.160194	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"377065"	513.322201	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"360945"	527.337851	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1508393"	293.175851	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"964552"	301.142151	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"122936"	269.131402	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"554113"	386.212402	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1025098"	152.050402	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1246863"	313.080885	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1311500"	315.136872	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1333369"	337.118829	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"925519"	347.147586	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1296761"	383.124264	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1368725"	199.149324	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1384763"	217.1593	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"283721"	469.331276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"687809"	703.493276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1360878"	235.169276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H"	1.007276
"138142"	235.169276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"579896"	352.250276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1044315"	118.088276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"215497"	157.115276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"655423"	235.169276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1176100"	79.061276	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"437914"	486.357823	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"792349"	720.519823	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1686138"	252.195823	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"335508"	243.6825495	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"734489"	360.7635495	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1485027"	126.6015495	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"399332"	491.313218	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"762519"	725.475218	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1610618"	257.151218	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"318465"	246.160247	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"719272"	363.241247	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1467990"	129.079247	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1056132"	86.38859	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1257929"	267.195486	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"379177"	507.287158	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"741750"	741.449158	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1540278"	273.125158	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+K"	38.963158
"299156"	254.147217	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"693041"	371.228217	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1446618"	137.066217	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"235777"	510.357826	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1209920"	276.195826	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1194241"	138.601551	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"188804"	513.29516	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"628853"	747.45716	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1132851"	279.13316	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"176025"	257.151218	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"616321"	374.232218	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1119827"	140.070218	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1403351"	93.715904	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1434373"	281.174746	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"221033"	262.18424	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1512135"	295.22679	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"415104"	265.138188	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"779380"	382.219188	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1667692"	148.057188	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"251902"	532.339768	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1228379"	298.177768	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1712855"	298.201293	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1178762"	101.043218	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1651050"	303.156688	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"159374"	545.24304	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"598935"	779.40504	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1084906"	311.08104	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"143182"	273.125158	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"590766"	390.206158	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1082576"	156.044158	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1115185"	313.095592	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1349131"	313.183207	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1020454"	317.222376	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1538582"	318.216008	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1005158"	159.114826	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1601964"	319.130628	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1423611"	349.162138	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1158271"	179.628101	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1705635"	366.188685	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1646755"	371.14408	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1584594"	387.11802	"C16942"	"Curcumenol"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"811681"	230.1307	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M"	0
"986308"	211.11231	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"63977"	152.413190666667	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"503905"	229.123424	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"883164"	75.7029573333333	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"3196"	229.123424	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"442391"	344.188774	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"819094"	114.058074	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"87845"	459.254124	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"528503"	689.384824	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"910318"	229.123424	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"61413"	476.280671	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"501337"	706.411371	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"878902"	246.149971	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"40482"	481.236066	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"483323"	711.366766	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"856749"	251.105366	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1633820"	251.105366	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"106094"	247.111763	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"546747"	362.177113	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"932608"	132.046413	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"270799"	495.230802	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"670147"	725.361502	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1284374"	265.100102	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"29117"	497.210006	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"463574"	727.340706	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"844656"	267.079306	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1571149"	267.079306	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"958301"	275.128894	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"376727"	505.259601	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"360571"	519.275251	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1508227"	289.144551	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"965755"	297.110851	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"122317"	265.100102	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"554223"	380.165452	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1024115"	150.034752	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1244787"	309.049585	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1311610"	311.105572	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1326918"	333.087529	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"922349"	343.116286	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1292497"	379.092964	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1368832"	195.118024	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1383291"	213.128	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"283584"	461.268676	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"687919"	691.399376	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1360988"	231.137976	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"133877"	231.137976	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"575626"	346.203326	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1043696"	116.072626	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"215607"	154.427742666667	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"652981"	231.137976	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1173291"	77.7175093333333	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"435472"	478.295223	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"791002"	708.425923	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1687341"	248.164523	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"333795"	239.6512495	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"734599"	354.7165995	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1484044"	124.5858995	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"399442"	483.250618	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"761531"	713.381318	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1606352"	253.119918	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"319668"	242.128947	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"712091"	357.194297	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1464820"	127.063597	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1054176"	85.0448233333333	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1257794"	263.164186	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"381592"	499.224558	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"740401"	729.355258	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1540143"	269.093858	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"299506"	250.115917	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"691482"	365.181267	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1446116"	135.050567	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"235860"	502.295226	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1210094"	272.164526	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1194705"	136.585901	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"188833"	505.23256	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"628963"	735.36326	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1132839"	275.10186	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"175037"	253.119918	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"616791"	368.185268	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1120662"	138.054568	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1402364"	92.3721373333333	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1434483"	277.143446	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"222358"	258.15294	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1512245"	291.19549	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"416307"	261.106888	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"777303"	376.172238	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1670354"	146.041538	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"252375"	524.277168	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1227028"	294.146468	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1713722"	294.169993	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1178832"	99.6994513333333	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1651767"	299.125388	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"158261"	537.18044	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"597819"	767.31114	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1084887"	307.04974	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"145844"	269.093858	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"590876"	384.159208	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1083051"	154.028508	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1115046"	309.064292	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1349363"	309.151907	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1017889"	313.191076	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1538691"	314.184708	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"1004418"	157.099176	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1601345"	315.099328	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1424814"	345.130838	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1158381"	177.612451	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1703558"	362.157385	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1648324"	367.11278	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1584704"	383.08672	"C16943"	"Curzerenone"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"811791"	220.1827	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M"	0
"986418"	201.16431	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"63192"	145.781190666667	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"504257"	219.175424	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"883274"	72.3869573333333	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"2942"	219.175424	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"442501"	329.266774	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"817748"	109.084074	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"85770"	439.358124	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"528613"	659.540824	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"908969"	219.175424	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"61280"	456.384671	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"501083"	676.567371	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"878036"	236.201971	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"43873"	461.340066	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"483433"	681.522766	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"860139"	241.157366	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1632956"	241.157366	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"106204"	237.163763	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"543577"	347.255113	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"932718"	127.072413	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"269086"	475.334802	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"670257"	695.517502	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1285941"	255.152102	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"28863"	477.314006	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"464777"	697.496706	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"843672"	257.131306	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1571269"	257.131306	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"956141"	265.180894	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"377106"	485.363601	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"361352"	499.379251	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1507074"	279.196551	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"965866"	287.162851	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"116961"	255.152102	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"555427"	365.243452	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1027506"	145.060752	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1247085"	299.101585	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1311720"	301.157572	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1327028"	323.139529	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"919179"	333.168286	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1291514"	369.144964	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1367117"	185.170024	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1383157"	203.18	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"283940"	441.372676	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"686936"	661.555376	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1360004"	221.189976	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"132894"	221.189976	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"575736"	331.281326	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1044536"	111.098626	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"218633"	147.795742666667	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"656371"	221.189976	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1172308"	74.4015093333333	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"436675"	458.399223	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"791109"	678.581923	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1686358"	238.216523	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"333541"	229.7032495	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"728148"	339.7945995	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1483061"	119.6118995	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"398459"	463.354618	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"760548"	683.537318	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1606465"	243.171918	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"318689"	232.180947	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"714390"	342.272297	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1462498"	122.089597	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1052804"	81.7288233333333	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1257538"	253.216186	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"378057"	479.328558	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"740146"	699.511258	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1540015"	259.145858	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"298647"	240.167917	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"693991"	350.259267	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1445816"	130.076567	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"236159"	482.399226	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1210044"	262.216526	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1194454"	131.611901	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"188902"	485.33656	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"628641"	705.51926	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1131504"	265.15386	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"173083"	243.171918	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"616902"	353.263268	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1117858"	133.080568	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1400654"	89.0561373333333	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1434593"	267.195446	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"223199"	248.20494	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1512355"	281.24749	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417510"	251.158888	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"777414"	361.250238	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1668641"	141.067538	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"252366"	504.381168	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1227503"	284.198468	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1714684"	284.221993	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1180160"	96.3834513333333	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1650780"	289.177388	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"157157"	517.28444	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"597256"	737.46714	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1084873"	297.10174	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"147047"	259.145858	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"594266"	369.237208	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1083898"	149.054508	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1115401"	299.116292	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1351246"	299.203907	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1017999"	303.243076	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1539695"	304.236708	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1004285"	152.125176	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1602306"	305.151328	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1424924"	335.182838	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1158491"	172.638451	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1703668"	352.209385	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1648798"	357.16478	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1584814"	373.13872	"C16945"	"Cyperol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"811901"	236.1776	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M"	0
"985435"	217.15921	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"62880"	156.444457333333	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"504490"	235.170324	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"883384"	77.7185906666667	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"865"	235.170324	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"440301"	353.259124	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"819192"	117.081524	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"80408"	471.347924	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"528722"	707.525524	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"907621"	235.170324	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"59810"	488.374471	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"500098"	724.552071	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"876810"	252.196871	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"46862"	493.329866	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"483543"	729.507466	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"860249"	257.152266	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1633920"	257.152266	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"106314"	253.158663	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"543687"	371.247463	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"932828"	135.069863	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"268830"	507.324602	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"670367"	743.502202	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1283863"	271.147002	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"29337"	509.303806	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"463794"	745.481406	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"841596"	273.126206	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1570679"	273.126206	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"956615"	281.175794	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"376790"	517.353401	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"361161"	531.369051	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1507184"	295.191451	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"972540"	303.157751	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"114885"	271.147002	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"555537"	389.235802	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1026523"	153.058202	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1245009"	315.096485	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1309643"	317.152472	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1327138"	339.134429	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"919289"	349.163186	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1288949"	385.139864	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1367511"	201.164924	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1386187"	219.1749	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"283199"	473.362476	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"687046"	709.540076	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1363396"	237.184876	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"133005"	237.184876	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"579858"	355.273676	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1047926"	119.096076	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"219109"	158.459009333333	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"651015"	237.184876	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1178015"	79.7331426666667	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"437880"	490.389023	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"790127"	726.566623	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1687561"	254.211423	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"334744"	245.6981495	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"729352"	363.7869495	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1480985"	127.6093495	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"396383"	495.344418	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"757379"	731.522018	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1607669"	259.166818	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"320986"	248.175847	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"714500"	366.264647	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1463220"	130.087047	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1052864"	87.0604566666667	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1257141"	269.211086	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"378411"	511.318358	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"738604"	747.495958	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1539999"	275.140758	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"298960"	256.162817	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"693371"	374.251617	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1445928"	138.074017	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"235944"	514.389026	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1210481"	278.211426	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1194449"	139.609351	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"189385"	517.32636	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"629311"	753.50396	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1132334"	281.14876	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"174534"	259.166818	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"615188"	377.255618	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1119063"	141.078018	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1399671"	94.3877706666667	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1431783"	283.190346	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"220754"	264.19984	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1508523"	297.24239	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"409966"	267.153788	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"772056"	385.242588	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1665956"	149.064988	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"252720"	536.370968	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1226879"	300.193368	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1713944"	300.216893	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1178531"	101.715084666667	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1649896"	305.172288	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"157341"	549.27424	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"597151"	785.45184	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1084245"	313.09664	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"148250"	275.140758	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"590002"	393.229558	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1084085"	157.051958	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1114413"	315.111192	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1351004"	315.198807	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1019203"	319.237976	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1539741"	320.231608	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"1005406"	160.122626	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1599376"	321.146228	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1427221"	351.177738	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1155321"	180.635901	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1701590"	368.204285	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1647084"	373.15968	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1584924"	389.13362	"C16946"	"Cyperolone"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"812011"	198.162	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M"	0
"984451"	179.14361	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-H2O-H"	-19.01839
"68320"	131.100724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M-3H"	-3.021828
"503748"	197.154724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M-3H"	-3.021828
"882401"	65.046724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-3H"	-3.021828
"2067"	197.154724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M-2H"	-2.014552
"440899"	296.235724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M-2H"	-2.014552
"818697"	98.073724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-2H"	-2.014552
"80518"	395.316724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M-H"	-1.007276
"525552"	593.478724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M-H"	-1.007276
"906636"	197.154724	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-H"	-1.007276
"58826"	412.343271	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M-2H+NH4"	16.019271
"498385"	610.505271	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M-2H+NH4"	16.019271
"876187"	214.181271	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-2H+NH4"	16.019271
"45552"	417.298666	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M-2H+Na"	20.974666
"483653"	615.460666	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M-2H+Na"	20.974666
"859266"	219.136666	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-2H+Na"	20.974666
"1632082"	219.136666	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Na-2H"	20.974666
"108247"	215.143063	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M-H+Cl"	33.962126
"541610"	314.224063	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M-H+Cl"	33.962126
"928926"	116.062063	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-H+Cl"	33.962126
"268088"	431.293402	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+Cl"	34.969402
"667196"	629.455402	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+Cl"	34.969402
"1280693"	233.131402	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Cl"	34.969402
"15783"	433.272606	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M-2H+K"	36.948606
"463904"	631.434606	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M-2H+K"	36.948606
"839519"	235.110606	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-2H+K"	36.948606
"1570666"	235.110606	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+K-2H"	36.948606
"956360"	243.160194	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-H+HCOOH"	44.998194
"376856"	441.322201	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+HCOOH-H"	44.998201
"360290"	455.337851	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+Hac-H"	59.013851
"1507176"	257.175851	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Hac-H"	59.013851
"971555"	265.142151	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-H+NaCOOH"	66.980151
"117182"	233.131402	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+2Cl"	69.938804
"562208"	332.212402	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+2Cl"	69.938804
"1028820"	134.050402	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2Cl"	69.938804
"1248398"	277.080885	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Br"	78.918885
"1309753"	279.136872	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Cl+HCOOH"	80.974872
"1326154"	301.118829	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Cl+NaCOOH"	102.956829
"916119"	311.147586	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M-H+CF3COOH"	112.985586
"1291734"	347.124264	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Cl+CF3COOH"	148.962264
"1369164"	163.149324	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H-2H2O"	-35.012676
"1386297"	181.1593	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H-H2O"	-17.0027
"284282"	397.331276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+H"	1.007276
"681688"	595.493276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+H"	1.007276
"1359130"	199.169276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H"	1.007276
"133115"	199.169276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+2H"	2.014552
"579239"	298.250276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+2H"	2.014552
"1044756"	100.088276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2H"	2.014552
"217032"	133.115276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+3H"	3.021828
"653312"	199.169276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+3H"	3.021828
"1178205"	67.061276	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+3H"	3.021828
"437626"	414.357823	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+NH4"	18.033823
"788415"	612.519823	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+NH4"	18.033823
"1685484"	216.195823	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+NH4"	18.033823
"335948"	207.6825495	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+H+NH4"	19.041099
"729462"	306.7635495	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+H+NH4"	19.041099
"1481095"	108.6015495	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H+NH4"	19.041099
"394307"	419.313218	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+Na"	22.989218
"755664"	617.475218	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+Na"	22.989218
"1609964"	221.151218	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Na"	22.989218
"314892"	210.160247	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+H+Na"	23.996494
"711330"	309.241247	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+H+Na"	23.996494
"1464423"	111.079247	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H+Na"	23.996494
"1052995"	74.38859	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2H+Na"	25.00377
"1258120"	231.195486	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+CH3OH+H"	33.033486
"377792"	435.287158	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+K"	38.963158
"739025"	633.449158	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+K"	38.963158
"1540231"	237.125158	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+K"	38.963158
"298742"	218.147217	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+H+K"	39.970434
"691897"	317.228217	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+H+K"	39.970434
"1446564"	119.066217	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H+K"	39.970434
"236502"	438.357826	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+ACN+H"	42.033826
"1210791"	240.195826	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+ACN+H"	42.033826
"1194917"	120.601551	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+ACN+2H"	43.041102
"189160"	441.29516	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+2Na-H"	44.97116
"629900"	639.45716	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+2Na-H"	44.97116
"1132802"	243.13316	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2Na-H"	44.97116
"173426"	221.151218	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+2Na"	45.978436
"613839"	320.232218	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+2Na"	45.978436
"1119537"	122.070218	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2Na"	45.978436
"1400506"	81.715904	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H+2Na"	46.985712
"1432985"	245.174746	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H+HCOOH"	47.012746
"221231"	226.18424	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+3H2O+2H"	56.04448
"1509408"	259.22679	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+IsoProp+H"	61.06479
"410076"	229.138188	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+Na+K"	61.952376
"771073"	328.219188	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+Na+K"	61.952376
"1666429"	130.057188	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Na+K"	61.952376
"252830"	460.339768	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+ACN+Na"	64.015768
"1226097"	262.177768	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+ACN+Na"	64.015768
"1712886"	262.201293	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+NH4+HCOOH"	64.039293
"1178797"	89.043218	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+3Na"	68.967654
"1650267"	267.156688	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Na+HCOOH"	68.994688
"157409"	473.24304	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+2K-H"	76.91904
"597538"	671.40504	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+2K-H"	76.91904
"1084394"	275.08104	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2K-H"	76.91904
"143621"	237.125158	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"2M+2K"	77.926316
"591205"	336.206158	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"3M+2K"	77.926316
"1081188"	138.044158	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2K"	77.926316
"1108929"	277.095592	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2K+H"	78.933592
"1346407"	277.183207	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+DMSO+H"	79.021207
"1014935"	281.222376	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2ACN+H"	83.060376
"1539550"	282.216008	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+IsoProp+Na+H"	84.054008
"1003891"	141.114826	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+2ACN+2H"	84.067652
"1598392"	283.130628	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+K+HCOOH"	84.968628
"1425143"	313.162138	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+H+CF3COOH"	115.000138
"1152151"	161.628101	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+3ACN+2H"	125.094202
"1702794"	330.188685	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+NH4+CF3COOH"	132.026685
"1643914"	335.14408	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+Na+CF3COOH"	136.98208
"1585034"	351.11802	"C16947"	"Decanoyl acetaldehyde"	"C12H22O2"	"198.162"	"M+K+CF3COOH"	152.95602
"812122"	234.162	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M"	0
"986748"	215.14361	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"66243"	155.100724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"507989"	233.154724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"881416"	77.046724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"6552"	233.154724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"443924"	350.235724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"821727"	116.073724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"80991"	467.316724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"525662"	701.478724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"905653"	233.154724	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"58572"	484.343271	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"499224"	718.505271	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"873017"	250.181271	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"42010"	489.298666	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"479384"	723.460666	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"853907"	255.136666	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1621251"	255.136666	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"108357"	251.143063	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"542813"	368.224063	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"927292"	134.062063	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"267469"	503.293402	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"667306"	737.455402	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1280803"	269.131402	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"16308"	505.272606	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"464014"	739.434606	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"838536"	271.110606	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1569564"	271.110606	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"957199"	279.160194	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"376761"	513.322201	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"359307"	527.337851	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1506556"	293.175851	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"968385"	301.142151	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"119479"	269.131402	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"563048"	386.212402	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1035492"	152.050402	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1252882"	313.080885	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1308769"	315.136872	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1330638"	337.118829	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"919510"	347.147586	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1295124"	383.124264	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1376565"	199.149324	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1386408"	217.1593	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"290468"	469.331276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"683984"	703.493276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1360333"	235.169276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H"	1.007276
"133225"	235.169276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"579349"	352.250276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1044867"	118.088276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"216047"	157.115276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"651236"	235.169276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1174828"	79.061276	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"432634"	486.357823	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"789253"	720.519823	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1686688"	252.195823	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"336058"	243.6825495	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"729572"	360.7635495	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1481205"	126.6015495	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"400978"	491.313218	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"757599"	725.475218	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1607887"	257.151218	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"316828"	246.160247	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"711438"	363.241247	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1464169"	129.079247	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1055347"	86.38859	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1260548"	267.195486	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"378512"	507.287158	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"739508"	741.449158	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1540831"	273.125158	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+K"	38.963158
"300803"	254.147217	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"692738"	371.228217	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1447532"	137.066217	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"236619"	510.357826	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1212123"	276.195826	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1196004"	138.601551	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"190576"	513.29516	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"631594"	747.45716	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1132912"	279.13316	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"175115"	257.151218	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"617598"	374.232218	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1119648"	140.070218	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1406090"	93.715904	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1437840"	281.174746	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"221819"	262.18424	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1510125"	295.22679	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"410185"	265.138188	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"771545"	382.219188	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1666782"	148.057188	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"253666"	532.339768	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1227098"	298.177768	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1713918"	298.201293	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1180005"	101.043218	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1650864"	303.156688	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"157603"	545.24304	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"597528"	779.40504	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1084833"	311.08104	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"143002"	273.125158	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"586209"	390.206158	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1078015"	156.044158	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1109038"	313.095592	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1346516"	313.183207	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1010670"	317.222376	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1532078"	318.216008	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1002543"	159.114826	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1597409"	319.130628	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1426348"	349.162138	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1155541"	179.628101	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1706185"	366.188685	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1647305"	371.14408	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1585144"	387.11802	"C16949"	"Dehydrocurdione"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"813325"	468.3603	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M"	0
"989049"	449.34191	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-H2O-H"	-19.01839
"69634"	311.232924	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M-3H"	-3.021828
"504821"	467.353024	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M-3H"	-3.021828
"885905"	155.112824	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-3H"	-3.021828
"8852"	467.353024	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M-2H"	-2.014552
"452786"	701.533174	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M-2H"	-2.014552
"824027"	233.172874	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-2H"	-2.014552
"84019"	935.713324	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M-H"	-1.007276
"533185"	1404.073624	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M-H"	-1.007276
"907951"	467.353024	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-H"	-1.007276
"60141"	952.739871	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M-2H+NH4"	16.019271
"499701"	1421.100171	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M-2H+NH4"	16.019271
"876410"	484.379571	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-2H+NH4"	16.019271
"46457"	957.695266	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M-2H+Na"	20.974666
"479494"	1426.055566	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M-2H+Na"	20.974666
"855109"	489.334966	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-2H+Na"	20.974666
"1622455"	489.334966	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Na-2H"	20.974666
"104458"	485.341363	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M-H+Cl"	33.962126
"544017"	719.521513	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M-H+Cl"	33.962126
"936439"	251.161213	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-H+Cl"	33.962126
"274995"	971.690002	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+Cl"	34.969402
"666323"	1440.050302	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+Cl"	34.969402
"1273010"	503.329702	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Cl"	34.969402
"20189"	973.669206	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M-2H+K"	36.948606
"464124"	1442.029506	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M-2H+K"	36.948606
"844114"	505.308906	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-2H+K"	36.948606
"1570889"	505.308906	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+K-2H"	36.948606
"957844"	513.358494	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-H+HCOOH"	44.998194
"376382"	981.718801	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+HCOOH-H"	44.998201
"360641"	995.734451	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+Hac-H"	59.013851
"1506789"	527.374151	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Hac-H"	59.013851
"971049"	535.340451	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-H+NaCOOH"	66.980151
"118496"	503.329702	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+2Cl"	69.938804
"560242"	737.509852	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+2Cl"	69.938804
"1027946"	269.149552	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2Cl"	69.938804
"1254086"	547.279185	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Br"	78.918885
"1317633"	549.335172	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Cl+HCOOH"	80.974872
"1333670"	571.317129	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Cl+NaCOOH"	102.956829
"924362"	581.345886	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M-H+CF3COOH"	112.985586
"1301798"	617.322564	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Cl+CF3COOH"	148.962264
"1381782"	433.347624	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H-2H2O"	-35.012676
"1393079"	451.3576	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H-H2O"	-17.0027
"293860"	937.727876	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+H"	1.007276
"685189"	1406.088176	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+H"	1.007276
"1362996"	469.367576	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H"	1.007276
"132241"	469.367576	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+2H"	2.014552
"578732"	703.547726	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+2H"	2.014552
"1050449"	235.187426	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2H"	2.014552
"217254"	313.247476	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+3H"	3.021828
"656086"	469.367576	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+3H"	3.021828
"1174212"	157.127376	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+3H"	3.021828
"435661"	954.754423	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+NH4"	18.033823
"791553"	1423.114723	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+NH4"	18.033823
"1686798"	486.394123	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+NH4"	18.033823
"336168"	477.8808495	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+H+NH4"	19.041099
"729682"	712.0609995	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+H+NH4"	19.041099
"1481315"	243.7006995	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H+NH4"	19.041099
"402182"	959.709818	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+Na"	22.989218
"758804"	1428.070118	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+Na"	22.989218
"1609091"	491.349518	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Na"	22.989218
"320222"	480.358547	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+H+Na"	23.996494
"712643"	714.538697	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+H+Na"	23.996494
"1468654"	246.178397	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H+Na"	23.996494
"1059714"	164.45469	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2H+Na"	25.00377
"1262485"	501.393786	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+CH3OH+H"	33.033486
"381059"	975.683758	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+K"	38.963158
"746423"	1444.044058	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+K"	38.963158
"1543012"	507.323458	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+K"	38.963158
"302374"	488.345517	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+H+K"	39.970434
"693701"	722.525667	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+H+K"	39.970434
"1447522"	254.165367	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H+K"	39.970434
"237216"	978.754426	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+ACN+H"	42.033826
"1212115"	510.394126	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+ACN+H"	42.033826
"1195627"	255.700701	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+ACN+2H"	43.041102
"189960"	981.69176	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+2Na-H"	44.97116
"630613"	1450.05206	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+2Na-H"	44.97116
"1134113"	513.33146	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2Na-H"	44.97116
"175220"	491.349518	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+2Na"	45.978436
"614419"	725.529668	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+2Na"	45.978436
"1120121"	257.169368	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2Na"	45.978436
"1408386"	171.782004	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H+2Na"	46.985712
"1439407"	515.373046	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H+HCOOH"	47.012746
"223640"	496.38254	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+3H2O+2H"	56.04448
"1510243"	529.42509	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+IsoProp+H"	61.06479
"414672"	499.336488	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+Na+K"	61.952376
"776761"	733.516638	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+Na+K"	61.952376
"1667625"	265.156338	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Na+K"	61.952376
"254508"	1000.736368	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+ACN+Na"	64.015768
"1227578"	532.376068	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+ACN+Na"	64.015768
"1713304"	532.399593	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+NH4+HCOOH"	64.039293
"1179020"	179.109318	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+3Na"	68.967654
"1650128"	537.354988	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Na+HCOOH"	68.994688
"157273"	1013.63964	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+2K-H"	76.91904
"597438"	1481.99994	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+2K-H"	76.91904
"1084581"	545.27934	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2K-H"	76.91904
"145299"	507.323458	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"2M+2K"	77.926316
"588145"	741.503608	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"3M+2K"	77.926316
"1079220"	273.143308	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2K"	77.926316
"1109148"	547.293892	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2K+H"	78.933592
"1345533"	547.381507	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+DMSO+H"	79.021207
"1016248"	551.420676	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2ACN+H"	83.060376
"1534375"	552.414308	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+IsoProp+Na+H"	84.054008
"1003013"	276.213976	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+2ACN+2H"	84.067652
"1600796"	553.328928	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+K+HCOOH"	84.968628
"1425360"	583.360438	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+H+CF3COOH"	115.000138
"1155650"	296.727251	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+3ACN+2H"	125.094202
"1704107"	600.386985	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+NH4+CF3COOH"	132.026685
"1647414"	605.34238	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+Na+CF3COOH"	136.98208
"1585254"	621.31632	"C16950"	"Dehydroeburicoic acid;Dehydrotrametenolic acid"	"C31H48O3"	"468.3603"	"M+K+CF3COOH"	152.95602
"813435"	416.2199	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M"	0
"983690"	397.20151	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-H2O-H"	-19.01839
"64398"	276.472657333333	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M-3H"	-3.021828
"504930"	415.212624	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M-3H"	-3.021828
"887105"	137.732690666667	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-3H"	-3.021828
"4586"	415.212624	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M-2H"	-2.014552
"444142"	623.322574	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M-2H"	-2.014552
"818666"	207.102674	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-2H"	-2.014552
"79026"	831.432524	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M-H"	-1.007276
"525882"	1247.652424	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M-H"	-1.007276
"908061"	415.212624	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-H"	-1.007276
"59157"	848.459071	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M-2H+NH4"	16.019271
"500902"	1264.678971	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M-2H+NH4"	16.019271
"876518"	432.239171	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-2H+NH4"	16.019271
"38950"	853.414466	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M-2H+Na"	20.974666
"476324"	1269.634366	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M-2H+Na"	20.974666
"854126"	437.194566	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-2H+Na"	20.974666
"1621471"	437.194566	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Na-2H"	20.974666
"102381"	433.200963	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M-H+Cl"	33.962126
"541940"	641.310913	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M-H+Cl"	33.962126
"927921"	225.091013	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-H+Cl"	33.962126
"269635"	867.409202	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+Cl"	34.969402
"661086"	1283.629102	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+Cl"	34.969402
"1276648"	451.189302	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Cl"	34.969402
"17017"	869.388406	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M-2H+K"	36.948606
"456941"	1285.608306	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M-2H+K"	36.948606
"847872"	453.168506	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-2H+K"	36.948606
"1570998"	453.168506	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+K-2H"	36.948606
"958359"	461.218094	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-H+HCOOH"	44.998194
"377088"	877.438001	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+HCOOH-H"	44.998201
"360625"	891.453651	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+Hac-H"	59.013851
"1507628"	475.233751	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Hac-H"	59.013851
"972249"	483.200051	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-H+NaCOOH"	66.980151
"122984"	451.189302	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+2Cl"	69.938804
"559258"	659.299252	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+2Cl"	69.938804
"1032430"	243.079352	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2Cl"	69.938804
"1255535"	495.138785	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Br"	78.918885
"1318107"	497.194772	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Cl+HCOOH"	80.974872
"1333776"	519.176729	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Cl+NaCOOH"	102.956829
"925564"	529.205486	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M-H+CF3COOH"	112.985586
"1300449"	565.182164	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Cl+CF3COOH"	148.962264
"1378975"	381.207224	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H-2H2O"	-35.012676
"1392097"	399.2172	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H-H2O"	-17.0027
"293970"	833.447076	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+H"	1.007276
"684204"	1249.666976	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+H"	1.007276
"1364198"	417.227176	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H"	1.007276
"130164"	417.227176	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+2H"	2.014552
"575558"	625.337126	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+2H"	2.014552
"1051653"	209.117226	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2H"	2.014552
"217243"	278.487209333333	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+3H"	3.021828
"656196"	417.227176	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+3H"	3.021828
"1172499"	139.747242666667	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+3H"	3.021828
"434678"	850.473623	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+NH4"	18.033823
"793852"	1266.693523	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+NH4"	18.033823
"1686908"	434.253723	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+NH4"	18.033823
"336278"	425.7404495	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+H+NH4"	19.041099
"728699"	633.8503995	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+H+NH4"	19.041099
"1480332"	217.6304995	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H+NH4"	19.041099
"402292"	855.429018	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+Na"	22.989218
"758914"	1271.648918	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+Na"	22.989218
"1610292"	439.209118	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Na"	22.989218
"320332"	428.218147	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+H+Na"	23.996494
"711659"	636.328097	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+H+Na"	23.996494
"1469857"	220.108197	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H+Na"	23.996494
"1060917"	147.074556666667	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2H+Na"	25.00377
"1262595"	449.253386	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+CH3OH+H"	33.033486
"383355"	871.402958	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+K"	38.963158
"744348"	1287.622858	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+K"	38.963158
"1544945"	455.183058	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+K"	38.963158
"304672"	436.205117	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+H+K"	39.970434
"692110"	644.315067	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+H+K"	39.970434
"1446537"	228.095167	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H+K"	39.970434
"236273"	874.473626	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+ACN+H"	42.033826
"1210402"	458.253726	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+ACN+H"	42.033826
"1195252"	229.630501	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+ACN+2H"	43.041102
"189340"	877.41096	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+2Na-H"	44.97116
"630719"	1293.63086	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+2Na-H"	44.97116
"1133133"	461.19106	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2Na-H"	44.97116
"173996"	439.209118	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+2Na"	45.978436
"615997"	647.319068	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+2Na"	45.978436
"1123878"	231.099168	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2Na"	45.978436
"1409228"	154.401870666667	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H+2Na"	46.985712
"1438426"	463.232646	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H+HCOOH"	47.012746
"223750"	444.24214	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+3H2O+2H"	56.04448
"1509989"	477.28469	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+IsoProp+H"	61.06479
"415875"	447.196088	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+Na+K"	61.952376
"775777"	655.306038	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+Na+K"	61.952376
"1668828"	239.086138	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Na+K"	61.952376
"255347"	896.455568	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+ACN+Na"	64.015768
"1229147"	480.235668	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+ACN+Na"	64.015768
"1715118"	480.259193	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+NH4+HCOOH"	64.039293
"1179136"	161.729184666667	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+3Na"	68.967654
"1650846"	485.214588	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Na+HCOOH"	68.994688
"157832"	909.35884	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+2K-H"	76.91904
"597142"	1325.57874	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+2K-H"	76.91904
"1084369"	493.13894	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2K-H"	76.91904
"145408"	455.183058	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"2M+2K"	77.926316
"588255"	663.293008	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"3M+2K"	77.926316
"1077143"	247.073108	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2K"	77.926316
"1109258"	495.153492	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2K+H"	78.933592
"1345643"	495.241107	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+DMSO+H"	79.021207
"1018547"	499.280276	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2ACN+H"	83.060376
"1533392"	500.273908	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+IsoProp+Na+H"	84.054008
"1004219"	250.143776	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+2ACN+2H"	84.067652
"1597626"	501.188528	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+K+HCOOH"	84.968628
"1425472"	531.220038	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+H+CF3COOH"	115.000138
"1161228"	270.657051	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+3ACN+2H"	125.094202
"1706405"	548.246585	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+NH4+CF3COOH"	132.026685
"1647525"	553.20198	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+Na+CF3COOH"	136.98208
"1585364"	569.17592	"C16951"	"Deoxyschizandrin"	"C24H32O6"	"416.2199"	"M+K+CF3COOH"	152.95602
"814638"	307.2147	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M"	0
"982707"	288.19631	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-H2O-H"	-19.01839
"65481"	203.802524	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M-3H"	-3.021828
"505039"	306.207424	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M-3H"	-3.021828
"882841"	101.397624	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-3H"	-3.021828
"4697"	306.207424	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M-2H"	-2.014552
"441338"	459.814774	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M-2H"	-2.014552
"820963"	152.600074	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-2H"	-2.014552
"84237"	613.422124	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M-H"	-1.007276
"525992"	920.636824	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M-H"	-1.007276
"907077"	306.207424	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-H"	-1.007276
"55986"	630.448671	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M-2H+NH4"	16.019271
"497732"	937.663371	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M-2H+NH4"	16.019271
"871161"	323.233971	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-2H+NH4"	16.019271
"36873"	635.404066	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M-2H+Na"	20.974666
"477527"	942.618766	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M-2H+Na"	20.974666
"855330"	328.189366	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-2H+Na"	20.974666
"1624861"	328.189366	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Na-2H"	20.974666
"100304"	324.195763	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M-H+Cl"	33.962126
"538770"	477.803113	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M-H+Cl"	33.962126
"930096"	170.588413	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-H+Cl"	33.962126
"268650"	649.398802	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+Cl"	34.969402
"663261"	956.613502	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+Cl"	34.969402
"1276758"	342.184102	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Cl"	34.969402
"23688"	651.378006	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M-2H+K"	36.948606
"456807"	958.592706	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M-2H+K"	36.948606
"847982"	344.163306	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-2H+K"	36.948606
"1571286"	344.163306	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+K-2H"	36.948606
"958404"	352.212894	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-H+HCOOH"	44.998194
"376892"	659.427601	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+HCOOH-H"	44.998201
"361054"	673.443251	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+Hac-H"	59.013851
"1507739"	366.228551	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Hac-H"	59.013851
"971631"	374.194851	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-H+NaCOOH"	66.980151
"122364"	342.184102	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+2Cl"	69.938804
"559369"	495.791452	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+2Cl"	69.938804
"1027074"	188.576752	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2Cl"	69.938804
"1251026"	386.133585	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Br"	78.918885
"1314567"	388.189572	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Cl+HCOOH"	80.974872
"1330970"	410.171529	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Cl+NaCOOH"	102.956829
"923122"	420.200286	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M-H+CF3COOH"	112.985586
"1303720"	456.176964	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Cl+CF3COOH"	148.962264
"1380178"	272.202024	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H-2H2O"	-35.012676
"1395122"	290.212	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H-H2O"	-17.0027
"289706"	615.436676	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+H"	1.007276
"683221"	922.651376	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+H"	1.007276
"1361756"	308.221976	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H"	1.007276
"132460"	308.221976	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+2H"	2.014552
"576396"	461.829326	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+2H"	2.014552
"1048846"	154.614626	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2H"	2.014552
"210912"	205.817076	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+3H"	3.021828
"651567"	308.221976	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+3H"	3.021828
"1169693"	103.412176	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+3H"	3.021828
"434788"	632.463223	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+NH4"	18.033823
"798702"	939.677923	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+NH4"	18.033823
"1691389"	325.248523	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+NH4"	18.033823
"337481"	316.7352495	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+H+NH4"	19.041099
"727716"	470.3425995	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+H+NH4"	19.041099
"1482629"	163.1278995	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H+NH4"	19.041099
"402402"	637.418618	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+Na"	22.989218
"764858"	944.633318	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+Na"	22.989218
"1609309"	330.203918	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Na"	22.989218
"320442"	319.212947	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+H+Na"	23.996494
"713956"	472.820297	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+H+Na"	23.996494
"1471426"	165.605597	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H+Na"	23.996494
"1057750"	110.73949	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2H+Na"	25.00377
"1263799"	340.248186	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+CH3OH+H"	33.033486
"382373"	653.392558	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+K"	38.963158
"743364"	960.607258	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+K"	38.963158
"1541050"	346.177858	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+K"	38.963158
"302230"	327.199917	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+H+K"	39.970434
"691400"	480.807267	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+H+K"	39.970434
"1445600"	173.592567	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H+K"	39.970434
"235768"	656.463226	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+ACN+H"	42.033826
"1210513"	349.248526	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+ACN+H"	42.033826
"1195122"	175.127901	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+ACN+2H"	43.041102
"190540"	659.40056	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+2Na-H"	44.97116
"630830"	966.61526	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+2Na-H"	44.97116
"1131991"	352.18586	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2Na-H"	44.97116
"174710"	330.203918	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+2Na"	45.978436
"616471"	483.811268	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+2Na"	45.978436
"1121800"	176.596568	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2Na"	45.978436
"1408244"	118.066804	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H+2Na"	46.985712
"1439628"	354.227446	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H+HCOOH"	47.012746
"222767"	335.23694	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+3H2O+2H"	56.04448
"1509856"	368.27949	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+IsoProp+H"	61.06479
"412705"	338.190888	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+Na+K"	61.952376
"774794"	491.798238	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+Na+K"	61.952376
"1668938"	184.583538	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Na+K"	61.952376
"253269"	678.445168	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+ACN+Na"	64.015768
"1228528"	371.230468	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+ACN+Na"	64.015768
"1715229"	371.253993	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+NH4+HCOOH"	64.039293
"1179490"	125.394118	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+3Na"	68.967654
"1650067"	376.209388	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Na+HCOOH"	68.994688
"158065"	691.34844	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+2K-H"	76.91904
"597376"	998.56314	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+2K-H"	76.91904
"1084316"	384.13374	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2K-H"	76.91904
"144060"	346.177858	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"2M+2K"	77.926316
"583992"	499.785208	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"3M+2K"	77.926316
"1075067"	192.570508	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2K"	77.926316
"1104994"	386.148292	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2K+H"	78.933592
"1343567"	386.235907	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+DMSO+H"	79.021207
"1017564"	390.275076	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2ACN+H"	83.060376
"1531315"	391.268708	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+IsoProp+Na+H"	84.054008
"1003235"	195.641176	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+2ACN+2H"	84.067652
"1592270"	392.183328	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+K+HCOOH"	84.968628
"1423396"	422.214838	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+H+CF3COOH"	115.000138
"1156965"	216.154451	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+3ACN+2H"	125.094202
"1706514"	439.241385	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+NH4+CF3COOH"	132.026685
"1648729"	444.19678	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+Na+CF3COOH"	136.98208
"1585474"	460.17072	"C16952"	"Dihydrocapsaicin"	"C18H29NO3"	"307.2147"	"M+K+CF3COOH"	152.95602
"813655"	368.21	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M"	0
"983910"	349.19161	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-H2O-H"	-19.01839
"66684"	244.466057333333	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M-3H"	-3.021828
"506241"	367.202724	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M-3H"	-3.021828
"882952"	121.729390666667	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-3H"	-3.021828
"6994"	367.202724	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M-2H"	-2.014552
"443271"	551.307724	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M-2H"	-2.014552
"823260"	183.097724	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-2H"	-2.014552
"84346"	735.412724	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M-H"	-1.007276
"526102"	1103.622724	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M-H"	-1.007276
"903907"	367.202724	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-H"	-1.007276
"52816"	752.439271	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M-2H+NH4"	16.019271
"493469"	1120.649271	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M-2H+NH4"	16.019271
"871271"	384.229271	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-2H+NH4"	16.019271
"39171"	757.394666	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M-2H+Na"	20.974666
"473264"	1125.604666	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M-2H+Na"	20.974666
"857627"	389.184666	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-2H+Na"	20.974666
"1622786"	389.184666	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Na-2H"	20.974666
"96032"	385.191063	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M-H+Cl"	33.962126
"535595"	569.296063	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M-H+Cl"	33.962126
"927329"	201.086063	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-H+Cl"	33.962126
"269855"	771.389402	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+Cl"	34.969402
"660495"	1139.599402	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+Cl"	34.969402
"1280149"	403.179402	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Cl"	34.969402
"20518"	773.368606	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M-2H+K"	36.948606
"461172"	1141.578606	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M-2H+K"	36.948606
"846635"	405.158606	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-2H+K"	36.948606
"1568299"	405.158606	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+K-2H"	36.948606
"957399"	413.208194	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-H+HCOOH"	44.998194
"374763"	781.418201	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+HCOOH-H"	44.998201
"358650"	795.433851	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+Hac-H"	59.013851
"1504563"	427.223851	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Hac-H"	59.013851
"971012"	435.190151	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-H+NaCOOH"	66.980151
"122110"	403.179402	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+2Cl"	69.938804
"558386"	587.284402	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+2Cl"	69.938804
"1028279"	219.074402	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2Cl"	69.938804
"1248950"	447.128885	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Br"	78.918885
"1311398"	449.184872	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Cl+HCOOH"	80.974872
"1323427"	471.166829	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Cl+NaCOOH"	102.956829
"918858"	481.195586	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M-H+CF3COOH"	112.985586
"1294473"	517.172264	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Cl+CF3COOH"	148.962264
"1377007"	333.197324	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H-2H2O"	-35.012676
"1393409"	351.2073	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H-H2O"	-17.0027
"289816"	737.427276	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+H"	1.007276
"683331"	1105.637276	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+H"	1.007276
"1361866"	369.217276	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H"	1.007276
"130383"	369.217276	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+2H"	2.014552
"574319"	553.322276	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+2H"	2.014552
"1047861"	185.112276	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2H"	2.014552
"211022"	246.480609333333	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+3H"	3.021828
"650584"	369.217276	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+3H"	3.021828
"1173083"	123.743942666667	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+3H"	3.021828
"435262"	754.453823	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+NH4"	18.033823
"797352"	1122.663823	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+NH4"	18.033823
"1686031"	386.243823	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+NH4"	18.033823
"338322"	377.7305495	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+H+NH4"	19.041099
"731106"	561.8355495	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+H+NH4"	19.041099
"1484927"	193.6255495	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H+NH4"	19.041099
"403242"	759.409218	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+Na"	22.989218
"767154"	1127.619218	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+Na"	22.989218
"1609422"	391.199218	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Na"	22.989218
"324562"	380.208247	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+H+Na"	23.996494
"714066"	564.313247	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+H+Na"	23.996494
"1473723"	196.103247	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H+Na"	23.996494
"1060046"	131.071256666667	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2H+Na"	25.00377
"1261724"	401.243486	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+CH3OH+H"	33.033486
"384668"	775.383158	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+K"	38.963158
"744567"	1143.593158	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+K"	38.963158
"1544441"	407.173158	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+K"	38.963158
"301614"	388.195217	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+H+K"	39.970434
"691460"	572.300217	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+H+K"	39.970434
"1445599"	204.090217	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H+K"	39.970434
"235744"	778.453826	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+ACN+H"	42.033826
"1210255"	410.243826	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+ACN+H"	42.033826
"1195960"	205.625551	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+ACN+2H"	43.041102
"189925"	781.39116	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+2Na-H"	44.97116
"630454"	1149.60116	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+2Na-H"	44.97116
"1133352"	413.18116	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2Na-H"	44.97116
"175548"	391.199218	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+2Na"	45.978436
"616217"	575.304218	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+2Na"	45.978436
"1117169"	207.094218	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2Na"	45.978436
"1406529"	138.398570666667	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H+2Na"	46.985712
"1439738"	415.222746	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H+HCOOH"	47.012746
"221905"	396.23224	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+3H2O+2H"	56.04448
"1509237"	429.27479	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+IsoProp+H"	61.06479
"415002"	399.186188	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+Na+K"	61.952376
"777090"	583.291188	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+Na+K"	61.952376
"1666862"	215.081188	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Na+K"	61.952376
"252651"	800.435768	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+ACN+Na"	64.015768
"1230462"	432.225768	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+ACN+Na"	64.015768
"1717162"	432.249293	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+NH4+HCOOH"	64.039293
"1179601"	145.725884666667	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+3Na"	68.967654
"1650258"	437.204688	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Na+HCOOH"	68.994688
"158540"	813.33904	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+2K-H"	76.91904
"597124"	1181.54904	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+2K-H"	76.91904
"1084309"	445.12904	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2K-H"	76.91904
"143076"	407.173158	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"2M+2K"	77.926316
"586289"	591.278158	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"3M+2K"	77.926316
"1077363"	223.068158	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2K"	77.926316
"1108384"	447.143592	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2K+H"	78.933592
"1344770"	447.231207	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+DMSO+H"	79.021207
"1015485"	451.270376	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2ACN+H"	83.060376
"1532519"	452.264008	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+IsoProp+Na+H"	84.054008
"997877"	226.138826	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+2ACN+2H"	84.067652
"1593472"	453.178628	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+K+HCOOH"	84.968628
"1422413"	483.210138	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+H+CF3COOH"	115.000138
"1159262"	246.652101	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+3ACN+2H"	125.094202
"1708811"	500.236685	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+NH4+CF3COOH"	132.026685
"1647746"	505.19208	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+Na+CF3COOH"	136.98208
"1585584"	521.16602	"C16953"	"Dihydrocorynantheine;1819-Dihydrocorynantheine"	"C22H28N2O3"	"368.21"	"M+K+CF3COOH"	152.95602
"814858"	656.3098	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M"	0
"989651"	637.29141	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-H2O-H"	-19.01839
"73354"	436.532590666667	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M-3H"	-3.021828
"510728"	655.302524	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M-3H"	-3.021828
"887437"	217.762657333333	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-3H"	-3.021828
"14639"	655.302524	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M-2H"	-2.014552
"448851"	983.457424	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M-2H"	-2.014552
"826653"	327.147624	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-2H"	-2.014552
"89924"	1311.612324	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M-H"	-1.007276
"526212"	1967.922124	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M-H"	-1.007276
"905840"	655.302524	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-H"	-1.007276
"57300"	1328.638871	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M-2H+NH4"	16.019271
"495766"	1984.948671	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M-2H+NH4"	16.019271
"871381"	672.329071	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-2H+NH4"	16.019271
"39281"	1333.594266	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M-2H+Na"	20.974666
"476654"	1989.904066	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M-2H+Na"	20.974666
"857737"	677.284466	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-2H+Na"	20.974666
"1625083"	677.284466	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Na-2H"	20.974666
"102704"	673.290863	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M-H+Cl"	33.962126
"543359"	1001.445763	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M-H+Cl"	33.962126
"930316"	345.135963	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-H+Cl"	33.962126
"273245"	1347.589002	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+Cl"	34.969402
"666760"	2003.898802	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+Cl"	34.969402
"1278072"	691.279202	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Cl"	34.969402
"21722"	1349.568206	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M-2H+K"	36.948606
"463467"	2005.878006	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M-2H+K"	36.948606
"841273"	693.258406	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-2H+K"	36.948606
"1570719"	693.258406	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+K-2H"	36.948606
"957509"	701.307994	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-H+HCOOH"	44.998194
"376701"	1357.617801	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+HCOOH-H"	44.998201
"361264"	1371.633451	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+Hac-H"	59.013851
"1506502"	715.323651	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Hac-H"	59.013851
"969666"	723.289951	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-H+NaCOOH"	66.980151
"122948"	691.279202	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+2Cl"	69.938804
"559589"	1019.434102	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+2Cl"	69.938804
"1030576"	363.124302	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2Cl"	69.938804
"1254164"	735.228685	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Br"	78.918885
"1313696"	737.284672	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Cl+HCOOH"	80.974872
"1329005"	759.266629	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Cl+NaCOOH"	102.956829
"920063"	769.295386	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M-H+CF3COOH"	112.985586
"1298957"	805.272064	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Cl+CF3COOH"	148.962264
"1373837"	621.297124	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H-2H2O"	-35.012676
"1393519"	639.3071	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H-H2O"	-17.0027
"297582"	1313.626876	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+H"	1.007276
"684534"	1969.936676	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+H"	1.007276
"1364894"	657.317076	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H"	1.007276
"130492"	657.317076	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+2H"	2.014552
"576616"	985.471976	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+2H"	2.014552
"1048700"	329.162176	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2H"	2.014552
"212225"	438.547142666667	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+3H"	3.021828
"655798"	657.317076	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+3H"	3.021828
"1173193"	219.777209333333	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+3H"	3.021828
"438291"	1330.653423	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+NH4"	18.033823
"798922"	1986.963223	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+NH4"	18.033823
"1692337"	674.343623	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+NH4"	18.033823
"341714"	665.8303495	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+H+NH4"	19.041099
"736322"	993.9852495	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+H+NH4"	19.041099
"1490505"	337.6754495	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H+NH4"	19.041099
"404810"	1335.608818	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+Na"	22.989218
"764712"	1991.918618	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+Na"	22.989218
"1609532"	679.299018	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Na"	22.989218
"323942"	668.308047	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+H+Na"	23.996494
"713083"	996.462947	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+H+Na"	23.996494
"1472009"	340.153147	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H+Na"	23.996494
"1066839"	227.104523333333	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2H+Na"	25.00377
"1270580"	689.343286	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+CH3OH+H"	33.033486
"384779"	1351.582758	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+K"	38.963158
"742857"	2007.892558	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+K"	38.963158
"1551111"	695.272958	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+K"	38.963158
"303911"	676.295017	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+H+K"	39.970434
"693414"	1004.449917	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+H+K"	39.970434
"1447238"	348.140117	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H+K"	39.970434
"240944"	1354.653426	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+ACN+H"	42.033826
"1212193"	698.343626	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+ACN+H"	42.033826
"1195346"	349.675451	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+ACN+2H"	43.041102
"189308"	1357.59076	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+2Na-H"	44.97116
"630324"	2013.90056	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+2Na-H"	44.97116
"1132496"	701.28096	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2Na-H"	44.97116
"176028"	679.299018	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+2Na"	45.978436
"616327"	1007.453918	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+2Na"	45.978436
"1117037"	351.144118	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2Na"	45.978436
"1406639"	234.431837333333	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H+2Na"	46.985712
"1439848"	703.322546	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H+HCOOH"	47.012746
"225174"	684.33204	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+3H2O+2H"	56.04448
"1509105"	717.37459	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+IsoProp+H"	61.06479
"415113"	687.285988	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+Na+K"	61.952376
"778293"	1015.440888	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+Na+K"	61.952376
"1670253"	359.131088	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Na+K"	61.952376
"255678"	1376.635368	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+ACN+Na"	64.015768
"1229479"	720.325568	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+ACN+Na"	64.015768
"1714719"	720.349093	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+NH4+HCOOH"	64.039293
"1180804"	241.759151333333	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+3Na"	68.967654
"1651789"	725.304488	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Na+HCOOH"	68.994688
"159380"	1389.53864	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+2K-H"	76.91904
"599303"	2045.84844	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+2K-H"	76.91904
"1087093"	733.22884	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2K-H"	76.91904
"142457"	695.272958	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"2M+2K"	77.926316
"587492"	1023.427858	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"3M+2K"	77.926316
"1076378"	367.118058	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2K"	77.926316
"1107402"	735.243392	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2K+H"	78.933592
"1343786"	735.331007	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+DMSO+H"	79.021207
"1015597"	739.370176	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2ACN+H"	83.060376
"1537004"	740.363808	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+IsoProp+Na+H"	84.054008
"1001269"	370.188726	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+2ACN+2H"	84.067652
"1593583"	741.278428	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+K+HCOOH"	84.968628
"1423616"	771.309938	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+H+CF3COOH"	115.000138
"1158278"	390.702001	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+3ACN+2H"	125.094202
"1708921"	788.336485	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+NH4+CF3COOH"	132.026685
"1647492"	793.29188	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+Na+CF3COOH"	136.98208
"1585694"	809.26582	"C16954"	"Disinomenine;Bisinomenine"	"C38H44N2O8"	"656.3098"	"M+K+CF3COOH"	152.95602
"812781"	150.1045	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M"	0
"987408"	131.08611	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"63257"	99.0623906666667	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"504277"	149.097224	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"883171"	49.0275573333333	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"11588"	149.097224	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"448961"	224.149474	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"826763"	74.044974	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"87847"	299.201724	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"526322"	449.306224	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"907405"	149.097224	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"53036"	316.228271	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"496970"	466.332771	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"874771"	166.123771	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"41581"	321.183666	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"480047"	471.288166	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"856755"	171.079166	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1627380"	171.079166	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"103910"	167.085563	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"544562"	242.137813	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"938076"	92.033313	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"273354"	335.178402	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"666868"	485.282902	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1278180"	185.073902	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"20735"	337.157606	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"463577"	487.262106	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"842476"	187.053106	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1568153"	187.053106	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"958110"	195.102694	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"376693"	345.207201	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"361366"	359.222851	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1507709"	209.118351	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"972572"	217.084651	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"123056"	185.073902	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"561524"	260.126152	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1034334"	110.021652	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1253545"	229.023385	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1315992"	231.079372	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1330936"	253.061329	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"925639"	263.090086	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1302711"	299.066764	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1381602"	115.091824	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1395456"	133.1018	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"296233"	301.216276	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"685738"	451.320776	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1360992"	151.111776	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H"	1.007276
"132792"	151.111776	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"576726"	226.164026	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1047714"	76.059526	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"217440"	101.076942666667	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"657000"	151.111776	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1173304"	51.0421093333333	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"437672"	318.242823	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"796481"	468.347323	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1690620"	168.138323	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"339998"	159.6250495	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"734608"	234.6772995	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1491223"	84.5727995	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"404920"	323.198218	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"761542"	473.302718	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1612922"	173.093718	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"324052"	162.102747	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"714286"	237.154997	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1467013"	87.050497	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1068474"	58.3694233333333	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1271663"	183.137986	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"387076"	339.172158	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"744789"	489.276658	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1551220"	189.067658	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+K"	38.963158
"304021"	170.089717	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"695349"	245.141967	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1447348"	95.037467	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"241054"	342.242826	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1212669"	192.138326	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1196186"	96.572801	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"190876"	345.18016	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"630560"	495.28466	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1134309"	195.07566	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"177232"	173.093718	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"616437"	248.145968	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1117755"	98.041468	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1406749"	65.6967373333333	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1438864"	197.117246	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"223096"	178.12674	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1515532"	211.16929	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"415223"	181.080688	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"777310"	256.132938	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1669269"	106.028438	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"252508"	364.224768	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1231775"	214.120268	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1717380"	214.143793	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1182007"	73.0240513333333	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1652993"	219.099188	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"160947"	377.12804	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"600871"	527.23254	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1086839"	227.02354	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"143662"	189.067658	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"588695"	264.119908	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1076488"	114.015408	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1109699"	229.038092	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1344989"	229.125707	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1015707"	233.164876	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1532739"	234.158508	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1002470"	117.086076	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1595880"	235.073128	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1422632"	265.104638	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1159481"	137.599351	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1707938"	282.131185	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1644683"	287.08658	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1585804"	303.06052	"C16955"	"Eucarvone"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"812891"	339.2562	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M"	0
"988247"	320.23781	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-H2O-H"	-19.01839
"70295"	225.163524	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M-3H"	-3.021828
"506575"	338.248924	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M-3H"	-3.021828
"888750"	112.078124	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-3H"	-3.021828
"5139"	338.248924	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M-2H"	-2.014552
"444700"	507.877024	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M-2H"	-2.014552
"830155"	168.620824	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-2H"	-2.014552
"91238"	677.505124	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M-H"	-1.007276
"532993"	1016.761324	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M-H"	-1.007276
"908975"	338.248924	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-H"	-1.007276
"56426"	694.531671	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M-2H+NH4"	16.019271
"499269"	1033.787871	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M-2H+NH4"	16.019271
"877798"	355.275471	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-2H+NH4"	16.019271
"39504"	699.487066	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M-2H+Na"	20.974666
"480157"	1038.743266	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M-2H+Na"	20.974666
"856866"	360.230866	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-2H+Na"	20.974666
"1625303"	360.230866	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Na-2H"	20.974666
"105112"	356.237263	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M-H+Cl"	33.962126
"542485"	525.865363	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M-H+Cl"	33.962126
"938186"	186.609163	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-H+Cl"	33.962126
"273463"	713.481802	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+Cl"	34.969402
"669165"	1052.738002	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+Cl"	34.969402
"1280476"	374.225602	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Cl"	34.969402
"23031"	715.461006	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M-2H+K"	36.948606
"460768"	1054.717206	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M-2H+K"	36.948606
"842586"	376.204806	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-2H+K"	36.948606
"1571076"	376.204806	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+K-2H"	36.948606
"958459"	384.254394	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-H+HCOOH"	44.998194
"376684"	723.510601	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+HCOOH-H"	44.998201
"359953"	737.526251	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+Hac-H"	59.013851
"1507333"	398.270051	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Hac-H"	59.013851
"971953"	406.236351	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-H+NaCOOH"	66.980151
"122076"	374.225602	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+2Cl"	69.938804
"562729"	543.853702	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+2Cl"	69.938804
"1035898"	204.597502	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2Cl"	69.938804
"1255479"	418.175085	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Br"	78.918885
"1313915"	420.231072	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Cl+HCOOH"	80.974872
"1329223"	442.213029	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Cl+NaCOOH"	102.956829
"923927"	452.241786	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M-H+CF3COOH"	112.985586
"1301363"	488.218464	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Cl+CF3COOH"	148.962264
"1382661"	304.243524	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H-2H2O"	-35.012676
"1398234"	322.2535	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H-H2O"	-17.0027
"293426"	679.519676	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+H"	1.007276
"682569"	1018.775876	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+H"	1.007276
"1358917"	340.263476	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H"	1.007276
"132902"	340.263476	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+2H"	2.014552
"572461"	509.891576	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+2H"	2.014552
"1046731"	170.635376	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2H"	2.014552
"217186"	227.178076	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+3H"	3.021828
"654194"	340.263476	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+3H"	3.021828
"1172321"	114.092676	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+3H"	3.021828
"435231"	696.546223	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+NH4"	18.033823
"796227"	1035.802423	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+NH4"	18.033823
"1692189"	357.290023	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+NH4"	18.033823
"341201"	348.7767495	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+H+NH4"	19.041099
"735448"	518.4048495	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+H+NH4"	19.041099
"1490725"	179.1486495	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H+NH4"	19.041099
"402843"	701.501618	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+Na"	22.989218
"761652"	1040.757818	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+Na"	22.989218
"1613032"	362.245418	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Na"	22.989218
"319789"	351.254447	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+H+Na"	23.996494
"712209"	520.882547	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+H+Na"	23.996494
"1468215"	181.626347	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H+Na"	23.996494
"1065840"	121.41999	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2H+Na"	25.00377
"1268613"	372.289686	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+CH3OH+H"	33.033486
"383906"	717.475558	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+K"	38.963158
"743806"	1056.731758	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+K"	38.963158
"1550237"	378.219358	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+K"	38.963158
"308506"	359.241417	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+H+K"	39.970434
"694365"	528.869517	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+H+K"	39.970434
"1447458"	189.613317	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H+K"	39.970434
"240070"	720.546226	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+ACN+H"	42.033826
"1214966"	381.290026	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+ACN+H"	42.033826
"1197027"	191.148651	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+ACN+2H"	43.041102
"192084"	723.48356	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+2Na-H"	44.97116
"632009"	1062.73976	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+2Na-H"	44.97116
"1134422"	384.22736	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2Na-H"	44.97116
"174911"	362.245418	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+2Na"	45.978436
"619829"	531.873518	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+2Na"	45.978436
"1117865"	192.617318	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2Na"	45.978436
"1406859"	128.747304	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H+2Na"	46.985712
"1437880"	386.268946	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H+HCOOH"	47.012746
"224299"	367.27844	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+3H2O+2H"	56.04448
"1512363"	400.32099	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+IsoProp+H"	61.06479
"413146"	370.232388	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+Na+K"	61.952376
"780701"	539.860488	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+Na+K"	61.952376
"1677034"	200.604288	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Na+K"	61.952376
"263553"	742.528168	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+ACN+Na"	64.015768
"1236257"	403.271968	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+ACN+Na"	64.015768
"1721864"	403.295493	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+NH4+HCOOH"	64.039293
"1183939"	136.074618	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+3Na"	68.967654
"1654559"	408.250888	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Na+HCOOH"	68.994688
"161784"	755.43144	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+2K-H"	76.91904
"601344"	1094.68764	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+2K-H"	76.91904
"1088408"	416.17524	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2K-H"	76.91904
"143407"	378.219358	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"2M+2K"	77.926316
"589898"	547.847458	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"3M+2K"	77.926316
"1076598"	208.591258	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2K"	77.926316
"1111996"	418.189792	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2K+H"	78.933592
"1346194"	418.277407	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+DMSO+H"	79.021207
"1020071"	422.316576	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2ACN+H"	83.060376
"1538197"	423.310208	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+IsoProp+Na+H"	84.054008
"1001489"	211.661926	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+2ACN+2H"	84.067652
"1599271"	424.224828	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+K+HCOOH"	84.968628
"1424929"	454.256338	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+H+CF3COOH"	115.000138
"1158499"	232.175201	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+3ACN+2H"	125.094202
"1709142"	471.282885	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+NH4+CF3COOH"	132.026685
"1644793"	476.23828	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+Na+CF3COOH"	136.98208
"1585914"	492.21222	"C16956"	"Evocarpine"	"C23H33NO"	"339.2562"	"M+K+CF3COOH"	152.95602
"813001"	370.1416	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M"	0
"984349"	351.12321	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-H2O-H"	-19.01839
"69312"	245.753790666667	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M-3H"	-3.021828
"503404"	369.134324	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M-3H"	-3.021828
"882301"	122.373257333333	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-3H"	-3.021828
"8528"	369.134324	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M-2H"	-2.014552
"440115"	554.205124	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M-2H"	-2.014552
"823704"	184.063524	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-2H"	-2.014552
"80778"	739.275924	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M-H"	-1.007276
"533470"	1109.417524	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M-H"	-1.007276
"909453"	369.134324	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-H"	-1.007276
"58723"	756.302471	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M-2H+NH4"	16.019271
"500474"	1126.444071	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M-2H+NH4"	16.019271
"874993"	386.160871	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-2H+NH4"	16.019271
"39614"	761.257866	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M-2H+Na"	20.974666
"480267"	1131.399466	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M-2H+Na"	20.974666
"858067"	391.116266	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-2H+Na"	20.974666
"1622133"	391.116266	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Na-2H"	20.974666
"101942"	387.122663	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M-H+Cl"	33.962126
"542595"	572.193463	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M-H+Cl"	33.962126
"936109"	202.051863	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-H+Cl"	33.962126
"271386"	775.252602	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+Cl"	34.969402
"668182"	1145.394202	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+Cl"	34.969402
"1279493"	405.111002	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Cl"	34.969402
"20955"	777.231806	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M-2H+K"	36.948606
"458328"	1147.373406	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M-2H+K"	36.948606
"846588"	407.090206	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-2H+K"	36.948606
"1570929"	407.090206	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+K-2H"	36.948606
"957961"	415.139794	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-H+HCOOH"	44.998194
"377029"	785.281401	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+HCOOH-H"	44.998201
"361035"	799.297051	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+Hac-H"	59.013851
"1508011"	429.155451	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Hac-H"	59.013851
"973887"	437.121751	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-H+NaCOOH"	66.980151
"124374"	405.111002	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+2Cl"	69.938804
"563568"	590.181802	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+2Cl"	69.938804
"1035280"	220.040202	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2Cl"	69.938804
"1256317"	449.060485	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Br"	78.918885
"1311838"	451.116472	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Cl+HCOOH"	80.974872
"1328238"	473.098429	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Cl+NaCOOH"	102.956829
"924035"	483.127186	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M-H+CF3COOH"	112.985586
"1302203"	519.103864	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Cl+CF3COOH"	148.962264
"1382514"	335.128924	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H-2H2O"	-35.012676
"1398247"	353.1389	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H-H2O"	-17.0027
"294996"	741.290476	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+H"	1.007276
"682679"	1111.432076	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+H"	1.007276
"1359026"	371.148876	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H"	1.007276
"136660"	371.148876	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+2H"	2.014552
"572572"	556.219676	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+2H"	2.014552
"1043561"	186.078076	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2H"	2.014552
"216202"	247.768342666667	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+3H"	3.021828
"656857"	371.148876	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+3H"	3.021828
"1172797"	124.387809333333	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+3H"	3.021828
"437893"	758.317023	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+NH4"	18.033823
"797795"	1128.458623	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+NH4"	18.033823
"1693028"	388.175423	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+NH4"	18.033823
"340218"	379.6621495	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+H+NH4"	19.041099
"732641"	564.7329495	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+H+NH4"	19.041099
"1491079"	194.5913495	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H+NH4"	19.041099
"405140"	763.272418	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+Na"	22.989218
"765042"	1133.414018	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+Na"	22.989218
"1612049"	393.130818	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Na"	22.989218
"322086"	382.139847	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+H+Na"	23.996494
"714506"	567.210647	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+H+Na"	23.996494
"1468326"	197.069047	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H+Na"	23.996494
"1067895"	131.715123333333	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2H+Na"	25.00377
"1269816"	403.175086	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+CH3OH+H"	33.033486
"384016"	779.246358	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+K"	38.963158
"745008"	1149.387958	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+K"	38.963158
"1548160"	409.104758	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+K"	38.963158
"306429"	390.126817	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+H+K"	39.970434
"692654"	575.197617	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+H+K"	39.970434
"1450484"	205.056017	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H+K"	39.970434
"236530"	782.317026	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+ACN+H"	42.033826
"1211302"	412.175426	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+ACN+H"	42.033826
"1194945"	206.591351	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+ACN+2H"	43.041102
"191101"	785.25436	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+2Na-H"	44.97116
"631754"	1155.39596	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+2Na-H"	44.97116
"1133439"	415.11276	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2Na-H"	44.97116
"175267"	393.130818	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+2Na"	45.978436
"619939"	578.201618	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+2Na"	45.978436
"1119071"	208.060018	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2Na"	45.978436
"1406969"	139.042437333333	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H+2Na"	46.985712
"1435804"	417.154346	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H+HCOOH"	47.012746
"229876"	398.16384	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+3H2O+2H"	56.04448
"1517940"	431.20639	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+IsoProp+H"	61.06479
"416537"	401.117788	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+Na+K"	61.952376
"780813"	586.188588	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+Na+K"	61.952376
"1676049"	216.046988	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Na+K"	61.952376
"261476"	804.298968	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+ACN+Na"	64.015768
"1235275"	434.157368	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+ACN+Na"	64.015768
"1719787"	434.180893	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+NH4+HCOOH"	64.039293
"1184049"	146.369751333333	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+3Na"	68.967654
"1656490"	439.136288	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Na+HCOOH"	68.994688
"163351"	817.20224	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+2K-H"	76.91904
"603641"	1187.34384	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+2K-H"	76.91904
"1089248"	447.06064	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2K-H"	76.91904
"144243"	409.104758	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"2M+2K"	77.926316
"590008"	594.175558	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"3M+2K"	77.926316
"1078894"	224.033958	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2K"	77.926316
"1112107"	449.075192	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2K+H"	78.933592
"1347397"	449.162807	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+DMSO+H"	79.021207
"1020181"	453.201976	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2ACN+H"	83.060376
"1538308"	454.195608	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+IsoProp+Na+H"	84.054008
"1002691"	227.104626	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+2ACN+2H"	84.067652
"1599381"	455.110228	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+K+HCOOH"	84.968628
"1425039"	485.141738	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+H+CF3COOH"	115.000138
"1156422"	247.617901	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+3ACN+2H"	125.094202
"1708159"	502.168285	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+NH4+CF3COOH"	132.026685
"1644903"	507.12368	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+Na+CF3COOH"	136.98208
"1586024"	523.09762	"C16957"	"Fargesin"	"C21H22O6"	"370.1416"	"M+K+CF3COOH"	152.95602
"813113"	426.3862	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M"	0
"982272"	407.36781	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"67235"	283.250190666667	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"502889"	425.378924	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"879969"	141.121457333333	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"5359"	425.378924	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"440298"	638.572024	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"820534"	212.185824	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"85992"	851.765124	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"532488"	1278.151324	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"906644"	425.378924	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"57741"	868.791671	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"500217"	1295.177871	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"874010"	442.405471	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"36444"	873.747066	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"479283"	1300.133266	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"853802"	447.360866	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1622243"	447.360866	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"98771"	443.367263	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"539424"	656.560363	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"934032"	230.174163	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"274776"	887.741802	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"660226"	1314.128002	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1276320"	461.355602	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"22157"	889.721006	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"459531"	1316.107206	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"846699"	463.334806	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1571168"	463.334806	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"958242"	471.384394	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"376416"	897.770601	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"361151"	911.786251	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1508040"	485.400051	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"974030"	493.366351	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"125456"	461.355602	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"564774"	674.548702	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1035390"	248.162502	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1254966"	505.305085	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1313041"	507.361072	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1327256"	529.343029	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"921958"	539.371786	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1301218"	575.348464	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1382306"	391.373524	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1397609"	409.3835	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"295106"	853.779676	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"680603"	1280.165876	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1358044"	427.393476	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"133122"	427.393476	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"570495"	640.586576	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1043671"	214.200376	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"208292"	285.264742666667	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"651134"	427.393476	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1170352"	143.136009333333	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433626"	870.806223	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"795715"	1297.192423	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1682687"	444.420023	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"341421"	435.9067495	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"731658"	649.0998495	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1485477"	222.7136495	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"406343"	875.761618	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"762965"	1302.147818	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1612159"	449.375418	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"322196"	438.384447	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"714616"	651.577547	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1468437"	225.191347	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
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"385219"	891.735558	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
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"304352"	446.371417	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
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"1077912"	252.156258	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1113189"	505.319792	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1348236"	505.407407	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1019197"	509.446576	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1538539"	510.440208	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1002801"	255.226926	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1597304"	511.354828	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1425149"	541.386338	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1156532"	275.740201	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1710456"	558.412885	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1645013"	563.36828	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1586134"	579.34222	"C16958"	"Fernenol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"814316"	216.1514	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M"	0
"982382"	197.13301	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-H2O-H"	-19.01839
"65160"	143.093657333333	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M-3H"	-3.021828
"505814"	215.144124	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M-3H"	-3.021828
"880169"	71.0431906666667	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-3H"	-3.021828
"6563"	215.144124	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M-2H"	-2.014552
"443937"	323.219824	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M-2H"	-2.014552
"829392"	107.068424	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-2H"	-2.014552
"82822"	431.295524	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M-H"	-1.007276
"530657"	647.446924	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M-H"	-1.007276
"906390"	215.144124	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-H"	-1.007276
"59672"	448.322071	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M-2H+NH4"	16.019271
"499234"	664.473471	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M-2H+NH4"	16.019271
"875946"	232.170671	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-2H+NH4"	16.019271
"42021"	453.277466	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M-2H+Na"	20.974666
"479393"	669.428866	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M-2H+Na"	20.974666
"851726"	237.126066	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-2H+Na"	20.974666
"1628915"	237.126066	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Na-2H"	20.974666
"105444"	233.132463	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M-H+Cl"	33.962126
"543910"	341.208163	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M-H+Cl"	33.962126
"935237"	125.056763	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-H+Cl"	33.962126
"275982"	467.272202	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+Cl"	34.969402
"660501"	683.423602	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+Cl"	34.969402
"1275337"	251.120802	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Cl"	34.969402
"21174"	469.251406	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M-2H+K"	36.948606
"456115"	685.402806	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M-2H+K"	36.948606
"846567"	253.100006	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-2H+K"	36.948606
"1571182"	253.100006	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+K-2H"	36.948606
"957574"	261.149594	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-H+HCOOH"	44.998194
"376522"	477.301001	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+HCOOH-H"	44.998201
"360411"	491.316651	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+Hac-H"	59.013851
"1507301"	275.165251	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Hac-H"	59.013851
"973261"	283.131551	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-H+NaCOOH"	66.980151
"124958"	251.120802	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+2Cl"	69.938804
"565249"	359.196502	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+2Cl"	69.938804
"1035868"	143.045102	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2Cl"	69.938804
"1252891"	295.070285	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Br"	78.918885
"1313152"	297.126272	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Cl+HCOOH"	80.974872
"1330648"	319.108229	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Cl+NaCOOH"	102.956829
"922796"	329.136986	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M-H+CF3COOH"	112.985586
"1301331"	365.113664	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Cl+CF3COOH"	148.962264
"1379855"	181.138724	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H-2H2O"	-35.012676
"1396626"	199.1487	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H-H2O"	-17.0027
"289382"	433.310076	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+H"	1.007276
"680713"	649.461476	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+H"	1.007276
"1365081"	217.158676	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H"	1.007276
"134325"	217.158676	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+2H"	2.014552
"572792"	325.234376	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+2H"	2.014552
"1039406"	109.082976	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2H"	2.014552
"205485"	145.108209333333	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+3H"	3.021828
"651244"	217.158676	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+3H"	3.021828
"1168276"	73.0577426666667	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+3H"	3.021828
"433736"	450.336623	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+NH4"	18.033823
"796917"	666.488023	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+NH4"	18.033823
"1687780"	234.185223	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+NH4"	18.033823
"331688"	225.6719495	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+H+NH4"	19.041099
"733951"	333.7476495	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+H+NH4"	19.041099
"1486680"	117.5962495	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H+NH4"	19.041099
"406453"	455.292018	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+Na"	22.989218
"761982"	671.443418	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+Na"	22.989218
"1612269"	239.140618	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Na"	22.989218
"322306"	228.149647	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+H+Na"	23.996494
"716913"	336.225347	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+H+Na"	23.996494
"1469640"	120.073947	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H+Na"	23.996494
"1067143"	80.3850566666667	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2H+Na"	25.00377
"1268941"	249.184886	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+CH3OH+H"	33.033486
"384235"	471.265958	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+K"	38.963158
"746322"	687.417358	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+K"	38.963158
"1547286"	255.114558	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+K"	38.963158
"308836"	236.136617	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+H+K"	39.970434
"696884"	344.212317	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+H+K"	39.970434
"1449612"	128.060917	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H+K"	39.970434
"244774"	474.336626	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+ACN+H"	42.033826
"1214202"	258.185226	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+ACN+H"	42.033826
"1196991"	129.596251	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+ACN+2H"	43.041102
"193872"	477.27396	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+2Na-H"	44.97116
"632701"	693.42536	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+2Na-H"	44.97116
"1135481"	261.12256	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2Na-H"	44.97116
"174147"	239.140618	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+2Na"	45.978436
"614319"	347.216318	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+2Na"	45.978436
"1116606"	131.064918	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2Na"	45.978436
"1399884"	87.7123706666667	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H+2Na"	46.985712
"1430384"	263.164146	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H+HCOOH"	47.012746
"229005"	244.17364	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+3H2O+2H"	56.04448
"1521443"	277.21619	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+IsoProp+H"	61.06479
"413474"	247.127588	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+Na+K"	61.952376
"777387"	355.203288	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+Na+K"	61.952376
"1675176"	139.051888	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Na+K"	61.952376
"257318"	496.318568	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+ACN+Na"	64.015768
"1235133"	280.167168	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+ACN+Na"	64.015768
"1719641"	280.190693	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+NH4+HCOOH"	64.039293
"1183177"	95.0396846666667	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+3Na"	68.967654
"1656712"	285.146088	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Na+HCOOH"	68.994688
"163936"	509.22184	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+2K-H"	76.91904
"602039"	725.37324	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+2K-H"	76.91904
"1088741"	293.07044	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2K-H"	76.91904
"144464"	255.114558	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"2M+2K"	77.926316
"588040"	363.190258	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"3M+2K"	77.926316
"1080208"	147.038858	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2K"	77.926316
"1110137"	295.084992	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2K+H"	78.933592
"1348711"	295.172607	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+DMSO+H"	79.021207
"1016146"	299.211776	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2ACN+H"	83.060376
"1535368"	300.205408	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+IsoProp+Na+H"	84.054008
"1001814"	150.109526	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+2ACN+2H"	84.067652
"1597414"	301.120028	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+K+HCOOH"	84.968628
"1427446"	331.151538	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+H+CF3COOH"	115.000138
"1159922"	170.622801	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+3ACN+2H"	125.094202
"1712662"	348.178085	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+NH4+CF3COOH"	132.026685
"1641843"	353.13348	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+Na+CF3COOH"	136.98208
"1586244"	369.10742	"C16959"	"Furanodiene"	"C15H20O"	"216.1514"	"M+K+CF3COOH"	152.95602
"813331"	230.1307	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M"	0
"983586"	211.11231	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"67456"	152.413190666667	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"507016"	229.123424	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"880806"	75.7029573333333	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"1206"	229.123424	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"441860"	344.188774	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"828409"	114.058074	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"82933"	459.254124	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"520185"	689.384824	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"907954"	229.123424	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"60145"	476.280671	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"499344"	706.411371	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"876781"	246.149971	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"42129"	481.236066	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"472448"	711.366766	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"850743"	251.105366	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1622463"	251.105366	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"100084"	247.111763	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"536364"	362.177113	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"934252"	132.046413	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"274996"	495.230802	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"660853"	725.361502	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1273864"	265.100102	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"18002"	497.210006	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"457686"	727.340706	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"847040"	267.079306	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1570051"	267.079306	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"956592"	275.128894	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"376516"	505.259601	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"361211"	519.275251	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1508139"	289.144551	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"974121"	297.110851	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"124828"	265.100102	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"564874"	380.165452	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1036221"	150.034752	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1253001"	309.049585	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1312168"	311.105572	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1326383"	333.087529	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"921449"	343.116286	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1299254"	379.092964	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1378873"	195.118024	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1395641"	213.128	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"289493"	461.268676	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"679730"	691.399376	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1363004"	231.137976	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"135531"	231.137976	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"571809"	346.203326	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1040609"	116.072626	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"205716"	154.427742666667	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"648074"	231.137976	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1171666"	77.7175093333333	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"432752"	478.295223	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"797392"	708.425923	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1687891"	248.164523	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"331798"	239.6512495	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"730781"	354.7165995	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1487883"	124.5858995	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"406563"	483.250618	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"764277"	713.381318	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1611282"	253.119918	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"323509"	242.128947	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"717023"	357.194297	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1464283"	127.063597	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1059716"	85.0448233333333	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1264675"	263.164186	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"380333"	499.224558	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"745339"	729.355258	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1549583"	269.093858	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"308946"	250.115917	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"695900"	365.181267	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1453002"	135.050567	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"244884"	502.295226	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1214312"	272.164526	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1196737"	136.585901	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"190335"	505.23256	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"630624"	735.36326	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1132063"	275.10186	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"173891"	253.119918	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"616984"	368.185268	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1116596"	138.054568	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1399146"	92.3721373333333	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1430411"	277.143446	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"226921"	258.15294	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1520454"	291.19549	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"413578"	261.106888	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"782235"	376.172238	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1675651"	146.041538	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"257428"	524.277168	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1234879"	294.146468	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1719023"	294.169993	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1185473"	99.6994513333333	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1655729"	299.125388	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"161495"	537.18044	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"602149"	767.31114	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1088121"	307.04974	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"143481"	269.093858	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"589243"	384.159208	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1078131"	154.028508	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1106964"	309.064292	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1344448"	309.151907	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1016256"	313.191076	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1535478"	314.184708	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"998644"	157.099176	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1596430"	315.099328	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1426463"	345.130838	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1160032"	177.612451	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1710676"	362.157385	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1641953"	367.11278	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1586354"	383.08672	"C16960"	"Furanodienone"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"812348"	402.2406	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M"	0
"983696"	383.22221	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-H2O-H"	-19.01839
"68660"	267.153124	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M-3H"	-3.021828
"504940"	401.233324	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M-3H"	-3.021828
"880093"	133.072924	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-3H"	-3.021828
"222"	401.233324	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M-2H"	-2.014552
"441241"	602.353624	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M-2H"	-2.014552
"827426"	200.113024	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-2H"	-2.014552
"83043"	803.473924	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M-H"	-1.007276
"521511"	1205.714524	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M-H"	-1.007276
"906971"	401.233324	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-H"	-1.007276
"56972"	820.500471	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M-2H+NH4"	16.019271
"494346"	1222.741071	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M-2H+NH4"	16.019271
"874335"	418.259871	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-2H+NH4"	16.019271
"34584"	825.455866	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M-2H+Na"	20.974666
"474143"	1227.696466	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M-2H+Na"	20.974666
"856321"	423.215266	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-2H+Na"	20.974666
"1622573"	423.215266	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Na-2H"	20.974666
"98008"	419.221663	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M-H+Cl"	33.962126
"535501"	620.341963	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M-H+Cl"	33.962126
"931082"	218.101363	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-H+Cl"	33.962126
"268545"	839.450602	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+Cl"	34.969402
"660719"	1241.691202	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+Cl"	34.969402
"1273194"	437.210002	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Cl"	34.969402
"16116"	841.429806	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M-2H+K"	36.948606
"457675"	1243.670406	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M-2H+K"	36.948606
"848229"	439.189206	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-2H+K"	36.948606
"1571129"	439.189206	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+K-2H"	36.948606
"958158"	447.238794	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-H+HCOOH"	44.998194
"376622"	849.479401	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+HCOOH-H"	44.998201
"360753"	863.495051	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+Hac-H"	59.013851
"1507401"	461.254451	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Hac-H"	59.013851
"973481"	469.220751	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-H+NaCOOH"	66.980151
"125300"	437.210002	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+2Cl"	69.938804
"564860"	638.330302	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+2Cl"	69.938804
"1036859"	236.089702	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2Cl"	69.938804
"1253839"	481.159485	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Br"	78.918885
"1312278"	483.215472	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Cl+HCOOH"	80.974872
"1331232"	505.197429	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Cl+NaCOOH"	102.956829
"921923"	515.226186	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M-H+CF3COOH"	112.985586
"1300091"	551.202864	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Cl+CF3COOH"	148.962264
"1377523"	367.227924	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H-2H2O"	-35.012676
"1396115"	385.2379	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H-H2O"	-17.0027
"288509"	805.488476	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+H"	1.007276
"680932"	1207.729076	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+H"	1.007276
"1361289"	403.247876	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H"	1.007276
"136005"	403.247876	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+2H"	2.014552
"574106"	604.368176	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+2H"	2.014552
"1040720"	202.127576	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2H"	2.014552
"205461"	269.167676	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+3H"	3.021828
"651464"	403.247876	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+3H"	3.021828
"1170683"	135.087476	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+3H"	3.021828
"432862"	822.515023	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+NH4"	18.033823
"797502"	1224.755623	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+NH4"	18.033823
"1688001"	420.274423	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+NH4"	18.033823
"330936"	411.7611495	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+H+NH4"	19.041099
"730891"	612.8814495	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+H+NH4"	19.041099
"1487993"	210.6408495	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H+NH4"	19.041099
"406673"	827.470418	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+Na"	22.989218
"764387"	1229.711018	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+Na"	22.989218
"1611392"	425.229818	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Na"	22.989218
"323619"	414.238847	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+H+Na"	23.996494
"713852"	615.359147	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+H+Na"	23.996494
"1463298"	213.118547	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H+Na"	23.996494
"1059826"	142.41479	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2H+Na"	25.00377
"1264785"	435.274086	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+CH3OH+H"	33.033486
"380078"	843.444358	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+K"	38.963158
"742532"	1245.684958	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+K"	38.963158
"1543126"	441.203758	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+K"	38.963158
"306869"	422.225817	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+H+K"	39.970434
"697104"	623.346117	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+H+K"	39.970434
"1453112"	221.105517	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H+K"	39.970434
"238434"	846.515026	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+ACN+H"	42.033826
"1212235"	444.274426	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+ACN+H"	42.033826
"1196483"	222.640851	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+ACN+2H"	43.041102
"190684"	849.45236	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+2Na-H"	44.97116
"630002"	1251.69296	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+2Na-H"	44.97116
"1131466"	447.21176	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2Na-H"	44.97116
"173430"	425.229818	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+2Na"	45.978436
"614420"	626.350118	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+2Na"	45.978436
"1116584"	224.109518	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2Na"	45.978436
"1399378"	149.742104	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H+2Na"	46.985712
"1429966"	449.253346	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H+HCOOH"	47.012746
"227031"	430.26284	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+3H2O+2H"	56.04448
"1519107"	463.30539	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+IsoProp+H"	61.06479
"413688"	433.216788	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+Na+K"	61.952376
"780886"	634.337088	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+Na+K"	61.952376
"1671021"	232.096488	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Na+K"	61.952376
"256080"	868.496968	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+ACN+Na"	64.015768
"1234988"	466.256368	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+ACN+Na"	64.015768
"1717675"	466.279893	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+NH4+HCOOH"	64.039293
"1183397"	157.069418	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+3Na"	68.967654
"1654014"	471.235288	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Na+HCOOH"	68.994688
"162698"	881.40024	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+2K-H"	76.91904
"601166"	1283.64084	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+2K-H"	76.91904
"1087865"	479.15964	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2K-H"	76.91904
"143227"	441.203758	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"2M+2K"	77.926316
"588260"	642.324058	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"3M+2K"	77.926316
"1077148"	240.083458	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2K"	77.926316
"1107074"	481.174192	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2K+H"	78.933592
"1343462"	481.261807	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+DMSO+H"	79.021207
"1014180"	485.300976	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2ACN+H"	83.060376
"1535588"	486.294608	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+IsoProp+Na+H"	84.054008
"998754"	243.154126	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+2ACN+2H"	84.067652
"1597634"	487.209228	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+K+HCOOH"	84.968628
"1426573"	517.240738	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+H+CF3COOH"	115.000138
"1159049"	263.667401	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+3ACN+2H"	125.094202
"1710786"	534.267285	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+NH4+CF3COOH"	132.026685
"1642063"	539.22268	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+Na+CF3COOH"	136.98208
"1586464"	555.19662	"C16962"	"Gamabufogenin;Gamabufotalin"	"C24H34O5"	"402.2406"	"M+K+CF3COOH"	152.95602
"814647"	374.1213	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M"	0
"985993"	355.10291	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-H2O-H"	-19.01839
"64761"	248.406924	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M-3H"	-3.021828
"504685"	373.114024	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M-3H"	-3.021828
"880096"	123.699824	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-3H"	-3.021828
"5799"	373.114024	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M-2H"	-2.014552
"440079"	560.174674	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M-2H"	-2.014552
"823162"	186.053374	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-2H"	-2.014552
"83153"	747.235324	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M-H"	-1.007276
"519187"	1121.356624	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M-H"	-1.007276
"904895"	373.114024	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-H"	-1.007276
"57082"	764.261871	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M-2H+NH4"	16.019271
"494456"	1138.383171	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M-2H+NH4"	16.019271
"872988"	390.140571	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-2H+NH4"	16.019271
"34694"	769.217266	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M-2H+Na"	20.974666
"476440"	1143.338566	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M-2H+Na"	20.974666
"856431"	395.095966	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-2H+Na"	20.974666
"1623776"	395.095966	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Na-2H"	20.974666
"95443"	391.102363	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M-H+Cl"	33.962126
"534426"	578.163013	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M-H+Cl"	33.962126
"929127"	204.041713	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-H+Cl"	33.962126
"267803"	783.212002	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+Cl"	34.969402
"661195"	1157.333302	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+Cl"	34.969402
"1274569"	409.090702	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Cl"	34.969402
"16110"	785.191206	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M-2H+K"	36.948606
"457785"	1159.312506	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M-2H+K"	36.948606
"835588"	411.069906	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-2H+K"	36.948606
"1571218"	411.069906	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+K-2H"	36.948606
"954615"	419.119494	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-H+HCOOH"	44.998194
"375391"	793.240801	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+HCOOH-H"	44.998201
"358541"	807.256451	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+Hac-H"	59.013851
"1508235"	433.135151	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Hac-H"	59.013851
"973466"	441.101451	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-H+NaCOOH"	66.980151
"125165"	409.090702	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+2Cl"	69.938804
"562660"	596.151352	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+2Cl"	69.938804
"1036076"	222.030052	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2Cl"	69.938804
"1255041"	453.040185	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Br"	78.918885
"1314575"	455.096172	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Cl+HCOOH"	80.974872
"1332070"	477.078129	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Cl+NaCOOH"	102.956829
"922033"	487.106886	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M-H+CF3COOH"	112.985586
"1298742"	523.083564	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Cl+CF3COOH"	148.962264
"1377998"	339.108624	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H-2H2O"	-35.012676
"1395131"	357.1186	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H-H2O"	-17.0027
"294451"	749.249876	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+H"	1.007276
"683228"	1123.371176	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+H"	1.007276
"1361399"	375.128576	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H"	1.007276
"134294"	375.128576	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+2H"	2.014552
"574582"	562.189226	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+2H"	2.014552
"1045569"	188.067926	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2H"	2.014552
"207638"	250.421476	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+3H"	3.021828
"651574"	375.128576	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+3H"	3.021828
"1173709"	125.714376	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+3H"	3.021828
"432972"	766.276423	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+NH4"	18.033823
"795790"	1140.397723	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+NH4"	18.033823
"1688111"	392.155123	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+NH4"	18.033823
"330268"	383.6418495	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+H+NH4"	19.041099
"722923"	570.7024995	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+H+NH4"	19.041099
"1479354"	196.5811995	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H+NH4"	19.041099
"395846"	771.231818	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+Na"	22.989218
"754367"	1145.353118	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+Na"	22.989218
"1606034"	397.110518	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Na"	22.989218
"316069"	386.119547	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+H+Na"	23.996494
"713959"	573.180197	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+H+Na"	23.996494
"1462921"	199.058897	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H+Na"	23.996494
"1055198"	133.04169	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2H+Na"	25.00377
"1259430"	407.154786	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+CH3OH+H"	33.033486
"378732"	787.205758	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+K"	38.963158
"741550"	1161.327058	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+K"	38.963158
"1541413"	413.084458	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+K"	38.963158
"303699"	394.106517	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+H+K"	39.970434
"699401"	581.167167	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+H+K"	39.970434
"1452129"	207.045867	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H+K"	39.970434
"241824"	790.276426	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+ACN+H"	42.033826
"1213439"	416.155126	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+ACN+H"	42.033826
"1196957"	208.581201	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+ACN+2H"	43.041102
"190066"	793.21376	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+2Na-H"	44.97116
"630478"	1167.33506	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+2Na-H"	44.97116
"1132524"	419.09246	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2Na-H"	44.97116
"173663"	397.110518	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+2Na"	45.978436
"613149"	584.171168	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+2Na"	45.978436
"1116001"	210.049868	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2Na"	45.978436
"1399366"	140.369004	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H+2Na"	46.985712
"1430388"	421.134046	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H+HCOOH"	47.012746
"221794"	402.14354	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+3H2O+2H"	56.04448
"1517394"	435.18609	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+IsoProp+H"	61.06479
"413798"	405.097488	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+Na+K"	61.952376
"780268"	592.158138	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+Na+K"	61.952376
"1671131"	218.036838	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Na+K"	61.952376
"257650"	812.258368	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+ACN+Na"	64.015768
"1230360"	438.137068	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+ACN+Na"	64.015768
"1712836"	438.160593	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+NH4+HCOOH"	64.039293
"1180225"	147.696318	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+3Na"	68.967654
"1650479"	443.115988	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Na+HCOOH"	68.994688
"158435"	825.16164	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+2K-H"	76.91904
"598359"	1199.28294	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+2K-H"	76.91904
"1085786"	451.04034	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2K-H"	76.91904
"142964"	413.084458	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"2M+2K"	77.926316
"588370"	600.145108	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"3M+2K"	77.926316
"1078350"	226.023808	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2K"	77.926316
"1107184"	453.054892	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2K+H"	78.933592
"1343572"	453.142507	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+DMSO+H"	79.021207
"1008821"	457.181676	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2ACN+H"	83.060376
"1537885"	458.175308	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+IsoProp+Na+H"	84.054008
"999958"	229.094476	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+2ACN+2H"	84.067652
"1600660"	459.089928	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+K+HCOOH"	84.968628
"1426683"	489.121438	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+H+CF3COOH"	115.000138
"1161345"	249.607751	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+3ACN+2H"	125.094202
"1710896"	506.147985	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+NH4+CF3COOH"	132.026685
"1642173"	511.10338	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+Na+CF3COOH"	136.98208
"1586574"	527.07732	"C16963"	"Gardoside"	"C16H22O10"	"374.1213"	"M+K+CF3COOH"	152.95602
"811475"	286.1053	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M"	0
"987926"	267.08691	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-H2O-H"	-19.01839
"71066"	189.729590666667	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M-3H"	-3.021828
"512814"	285.098024	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M-3H"	-3.021828
"882960"	94.3611573333333	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-3H"	-3.021828
"9188"	285.098024	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M-2H"	-2.014552
"440358"	428.150674	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M-2H"	-2.014552
"818899"	142.045374	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-2H"	-2.014552
"83263"	571.203324	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M-H"	-1.007276
"519663"	857.308624	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M-H"	-1.007276
"898443"	285.098024	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-H"	-1.007276
"53912"	588.229871	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M-2H+NH4"	16.019271
"491286"	874.335171	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M-2H+NH4"	16.019271
"871276"	302.124571	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-2H+NH4"	16.019271
"34803"	593.185266	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M-2H+Na"	20.974666
"471646"	879.290566	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M-2H+Na"	20.974666
"857634"	307.079966	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-2H+Na"	20.974666
"1624979"	307.079966	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Na-2H"	20.974666
"94339"	303.086363	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M-H+Cl"	33.962126
"534413"	446.139013	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M-H+Cl"	33.962126
"929116"	160.033713	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-H+Cl"	33.962126
"269859"	607.180002	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+Cl"	34.969402
"660084"	893.285302	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+Cl"	34.969402
"1272794"	321.074702	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Cl"	34.969402
"16752"	609.159206	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M-2H+K"	36.948606
"457896"	895.264506	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M-2H+K"	36.948606
"835698"	323.053906	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-2H+K"	36.948606
"1567937"	323.053906	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+K-2H"	36.948606
"954726"	331.103494	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-H+HCOOH"	44.998194
"375260"	617.208801	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+HCOOH-H"	44.998201
"360360"	631.224451	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+Hac-H"	59.013851
"1507734"	345.119151	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Hac-H"	59.013851
"973820"	353.085451	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-H+NaCOOH"	66.980151
"124793"	321.074702	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+2Cl"	69.938804
"563500"	464.127352	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+2Cl"	69.938804
"1036717"	178.022052	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2Cl"	69.938804
"1256574"	365.024185	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Br"	78.918885
"1312498"	367.080172	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Cl+HCOOH"	80.974872
"1334732"	389.062129	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Cl+NaCOOH"	102.956829
"926904"	399.090886	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M-H+CF3COOH"	112.985586
"1301042"	435.067564	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Cl+CF3COOH"	148.962264
"1379204"	251.092624	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H-2H2O"	-35.012676
"1394513"	269.1026	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H-H2O"	-17.0027
"294564"	573.217876	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+H"	1.007276
"683338"	859.323176	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+H"	1.007276
"1363333"	287.112576	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H"	1.007276
"135132"	287.112576	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+2H"	2.014552
"573233"	430.165226	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+2H"	2.014552
"1047868"	144.059926	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2H"	2.014552
"215404"	191.744142666667	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+3H"	3.021828
"654602"	287.112576	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+3H"	3.021828
"1174186"	96.3757093333333	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+3H"	3.021828
"435634"	590.244423	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+NH4"	18.033823
"796993"	876.349723	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+NH4"	18.033823
"1690408"	304.139123	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+NH4"	18.033823
"331035"	295.6258495	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+H+NH4"	19.041099
"723815"	438.6784995	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+H+NH4"	19.041099
"1480557"	152.5731995	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H+NH4"	19.041099
"395956"	595.199818	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+Na"	22.989218
"764606"	881.305118	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+Na"	22.989218
"1607238"	309.094518	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Na"	22.989218
"321647"	298.103547	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+H+Na"	23.996494
"717351"	441.156197	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+H+Na"	23.996494
"1464977"	155.050897	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H+Na"	23.996494
"1056037"	103.703023333333	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2H+Na"	25.00377
"1258809"	319.138786	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+CH3OH+H"	33.033486
"381392"	611.173758	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+K"	38.963158
"739839"	897.279058	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+K"	38.963158
"1542252"	325.068458	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+K"	38.963158
"303809"	306.090517	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+H+K"	39.970434
"699511"	449.143167	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+H+K"	39.970434
"1451145"	163.037867	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H+K"	39.970434
"241934"	614.244426	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+ACN+H"	42.033826
"1212454"	328.139126	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+ACN+H"	42.033826
"1195246"	164.573201	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+ACN+2H"	43.041102
"189689"	617.18176	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+2Na-H"	44.97116
"629497"	903.28706	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+2Na-H"	44.97116
"1132150"	331.07646	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2Na-H"	44.97116
"173981"	309.094518	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+2Na"	45.978436
"612933"	452.147168	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+2Na"	45.978436
"1117540"	166.041868	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2Na"	45.978436
"1398585"	111.030337333333	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H+2Na"	46.985712
"1430741"	333.118046	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H+HCOOH"	47.012746
"220933"	314.12754	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+3H2O+2H"	56.04448
"1515317"	347.17009	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+IsoProp+H"	61.06479
"413908"	317.081488	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+Na+K"	61.952376
"777097"	460.134138	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+Na+K"	61.952376
"1670148"	174.028838	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Na+K"	61.952376
"257760"	636.226368	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+ACN+Na"	64.015768
"1231563"	350.121068	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+ACN+Na"	64.015768
"1713885"	350.144593	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+NH4+HCOOH"	64.039293
"1179971"	118.357651333333	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+3Na"	68.967654
"1652411"	355.099988	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Na+HCOOH"	68.994688
"160002"	649.12964	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+2K-H"	76.91904
"597739"	935.23494	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+2K-H"	76.91904
"1084881"	363.02434	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2K-H"	76.91904
"142345"	325.068458	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"2M+2K"	77.926316
"586294"	468.121108	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"3M+2K"	77.926316
"1076273"	182.015808	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2K"	77.926316
"1107294"	365.038892	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2K+H"	78.933592
"1338213"	365.126507	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+DMSO+H"	79.021207
"1010024"	369.165676	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2ACN+H"	83.060376
"1532527"	370.159308	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+IsoProp+Na+H"	84.054008
"1000067"	185.086476	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+2ACN+2H"	84.067652
"1597851"	371.073928	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+K+HCOOH"	84.968628
"1423510"	401.105438	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+H+CF3COOH"	115.000138
"1159269"	205.599751	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+3ACN+2H"	125.094202
"1705537"	418.131985	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+NH4+CF3COOH"	132.026685
"1642283"	423.08738	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+Na+CF3COOH"	136.98208
"1586684"	439.06132	"C16964"	"Gastrodin;4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside"	"C13H18O7"	"286.1053"	"M+K+CF3COOH"	152.95602
"813771"	550.1898	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M"	0
"987304"	531.17141	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-H2O-H"	-19.01839
"72269"	365.785924	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M-3H"	-3.021828
"511830"	549.182524	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M-3H"	-3.021828
"883070"	182.389324	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-3H"	-3.021828
"9299"	549.182524	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M-2H"	-2.014552
"440469"	824.277424	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M-2H"	-2.014552
"819009"	274.087624	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-2H"	-2.014552
"81186"	1099.372324	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M-H"	-1.007276
"521839"	1649.562124	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M-H"	-1.007276
"898553"	549.182524	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-H"	-1.007276
"54022"	1116.398871	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M-2H+NH4"	16.019271
"491396"	1666.588671	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M-2H+NH4"	16.019271
"873572"	566.209071	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-2H+NH4"	16.019271
"33090"	1121.354266	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M-2H+Na"	20.974666
"472649"	1671.544066	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M-2H+Na"	20.974666
"857744"	571.164466	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-2H+Na"	20.974666
"1626182"	571.164466	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Na-2H"	20.974666
"94306"	567.170863	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M-H+Cl"	33.962126
"534733"	842.265763	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M-H+Cl"	33.962126
"929226"	292.075963	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-H+Cl"	33.962126
"269970"	1135.349002	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+Cl"	34.969402
"660682"	1685.538802	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+Cl"	34.969402
"1273326"	585.159202	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Cl"	34.969402
"17226"	1137.328206	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M-2H+K"	36.948606
"460192"	1687.518006	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M-2H+K"	36.948606
"837994"	587.138406	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-2H+K"	36.948606
"1570841"	587.138406	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+K-2H"	36.948606
"955565"	595.187994	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-H+HCOOH"	44.998194
"375972"	1145.377801	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+HCOOH-H"	44.998201
"359860"	1159.393451	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+Hac-H"	59.013851
"1507239"	609.203651	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Hac-H"	59.013851
"972224"	617.169951	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-H+NaCOOH"	66.980151
"124294"	585.159202	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+2Cl"	69.938804
"563245"	860.254102	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+2Cl"	69.938804
"1035936"	310.064302	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2Cl"	69.938804
"1255268"	629.108685	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Br"	78.918885
"1315160"	631.164672	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Cl+HCOOH"	80.974872
"1333750"	653.146629	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Cl+NaCOOH"	102.956829
"926267"	663.175386	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M-H+CF3COOH"	112.985586
"1301883"	699.152064	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Cl+CF3COOH"	148.962264
"1381138"	515.177124	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H-2H2O"	-35.012676
"1396080"	533.1871	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H-H2O"	-17.0027
"296496"	1101.386876	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+H"	1.007276
"690375"	1651.576676	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+H"	1.007276
"1364900"	551.197076	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H"	1.007276
"130501"	551.197076	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+2H"	2.014552
"575165"	826.291976	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+2H"	2.014552
"1048706"	276.102176	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2H"	2.014552
"214419"	367.800476	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+3H"	3.021828
"652889"	551.197076	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+3H"	3.021828
"1174294"	184.403876	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+3H"	3.021828
"436472"	1118.413423	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+NH4"	18.033823
"797832"	1668.603223	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+NH4"	18.033823
"1687238"	568.223623	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+NH4"	18.033823
"331387"	559.7103495	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+H+NH4"	19.041099
"723562"	834.8052495	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+H+NH4"	19.041099
"1480667"	284.6154495	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H+NH4"	19.041099
"397159"	1123.368818	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+Na"	22.989218
"764716"	1673.558618	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+Na"	22.989218
"1605161"	573.179018	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Na"	22.989218
"318477"	562.188047	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+H+Na"	23.996494
"715274"	837.282947	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+H+Na"	23.996494
"1469093"	287.093147	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H+Na"	23.996494
"1057965"	191.73119	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2H+Na"	25.00377
"1260738"	583.223286	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+CH3OH+H"	33.033486
"380043"	1139.342758	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+K"	38.963158
"742496"	1689.532558	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+K"	38.963158
"1543455"	589.152958	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+K"	38.963158
"303919"	570.175017	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+H+K"	39.970434
"699621"	845.269917	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+H+K"	39.970434
"1451255"	295.080117	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H+K"	39.970434
"240951"	1142.413426	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+ACN+H"	42.033826
"1212564"	592.223626	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+ACN+H"	42.033826
"1194747"	296.615451	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+ACN+2H"	43.041102
"189922"	1145.35076	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+2Na-H"	44.97116
"630698"	1695.54056	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+2Na-H"	44.97116
"1133230"	595.16096	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2Na-H"	44.97116
"173968"	573.179018	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+2Na"	45.978436
"614265"	848.273918	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+2Na"	45.978436
"1117650"	298.084118	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2Na"	45.978436
"1399106"	199.058504	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H+2Na"	46.985712
"1430489"	597.202546	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H+HCOOH"	47.012746
"221286"	578.21204	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+3H2O+2H"	56.04448
"1516520"	611.25459	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+IsoProp+H"	61.06479
"414018"	581.165988	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+Na+K"	61.952376
"774654"	856.260888	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+Na+K"	61.952376
"1666163"	306.071088	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Na+K"	61.952376
"251526"	1164.395368	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+ACN+Na"	64.015768
"1228027"	614.205568	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+ACN+Na"	64.015768
"1713262"	614.229093	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+NH4+HCOOH"	64.039293
"1180080"	206.385818	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+3Na"	68.967654
"1651428"	619.184488	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Na+HCOOH"	68.994688
"158655"	1177.29864	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+2K-H"	76.91904
"597848"	1727.48844	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+2K-H"	76.91904
"1085278"	627.10884	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2K-H"	76.91904
"141849"	589.152958	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"2M+2K"	77.926316
"586404"	864.247858	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"3M+2K"	77.926316
"1074195"	314.058058	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2K"	77.926316
"1108497"	629.123392	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2K+H"	78.933592
"1338324"	629.211007	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+DMSO+H"	79.021207
"1010134"	633.250176	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2ACN+H"	83.060376
"1533730"	634.243808	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+IsoProp+Na+H"	84.054008
"996897"	317.128726	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+2ACN+2H"	84.067652
"1597961"	635.158428	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+K+HCOOH"	84.968628
"1423620"	665.189938	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+H+CF3COOH"	115.000138
"1159014"	337.642001	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+3ACN+2H"	125.094202
"1705647"	682.216485	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+NH4+CF3COOH"	132.026685
"1642393"	687.17188	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+Na+CF3COOH"	136.98208
"1586794"	703.14582	"C16965"	"Genipin 1-beta-gentiobioside"	"C23H34O15"	"550.1898"	"M+K+CF3COOH"	152.95602
"813882"	218.1671	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M"	0
"987414"	199.14871	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"76752"	144.437457333333	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"515219"	217.159824	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"886460"	71.7150906666667	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"11595"	217.159824	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"450064"	326.243374	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"823492"	108.076274	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"87857"	435.326924	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"524136"	653.494024	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"905223"	217.159824	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"56320"	452.353471	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"495880"	670.520571	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"873682"	234.186371	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"42677"	457.308866	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"481143"	675.475966	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"857854"	239.141766	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1623012"	239.141766	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"98447"	235.148163	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"536914"	344.231713	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"929335"	126.064613	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"273360"	471.303602	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"664687"	689.470702	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1275024"	253.136502	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"17459"	473.282806	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"460302"	691.449906	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"837011"	255.115706	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1568522"	255.115706	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"954582"	263.165294	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"376081"	481.332401	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"360574"	495.348051	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1508319"	277.180951	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"973067"	285.147251	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"124893"	253.136502	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"564082"	362.220052	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1036896"	144.052952	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1256882"	297.085985	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1317095"	299.141972	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1335281"	321.123929	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"926014"	331.152686	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1301263"	367.129364	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1382724"	183.154424	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1396922"	201.1644	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"298231"	437.341476	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"691019"	655.508576	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1366432"	219.174376	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"137902"	219.174376	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"574545"	328.257926	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1050639"	110.090826	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"213436"	146.452009333333	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"655186"	219.174376	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1175864"	73.7296426666667	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"435489"	454.368023	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"795390"	672.535123	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1688443"	236.200923	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"331619"	227.6876495	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"728051"	336.7711995	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1486246"	118.6040995	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"399457"	459.323418	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"767014"	677.490518	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1614019"	241.156318	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"325149"	230.165347	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"717572"	339.248897	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1471391"	121.081797	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1059168"	81.0569566666667	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1261943"	251.200586	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"382705"	475.297358	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"748074"	693.464458	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1550127"	257.130258	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"305123"	238.152317	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"699731"	347.235867	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1452458"	129.068767	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"245434"	478.368026	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1213768"	260.200926	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1196559"	130.604101	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"190885"	481.30536	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"630808"	699.47246	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1132612"	263.13826	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"173595"	241.156318	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"615347"	350.239868	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1121040"	132.072768	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1400310"	88.3842706666667	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1430482"	265.179846	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"224191"	246.18934	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1519911"	279.23189	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"414128"	249.143288	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"777316"	358.226838	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1670366"	140.059738	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"251904"	500.349968	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1230690"	282.182868	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1719576"	282.206393	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1179461"	95.7115846666667	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1650566"	287.161788	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"159860"	513.25324	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"600150"	731.42034	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1085753"	295.08614	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"144028"	257.130258	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"588701"	366.213808	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1072120"	148.046708	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1105328"	297.100692	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1338435"	297.188307	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1014620"	301.227476	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1529467"	302.221108	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"999195"	151.117376	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1595884"	303.135728	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1423730"	333.167238	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1157301"	171.630651	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1708675"	350.193785	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1644688"	355.14918	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1586904"	371.12312	"C16966"	"Germacrone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"812898"	424.3705	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M"	0
"988256"	405.35211	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-H2O-H"	-19.01839
"72489"	281.906390666667	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M-3H"	-3.021828
"512050"	423.363224	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M-3H"	-3.021828
"887666"	140.449557333333	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-3H"	-3.021828
"12439"	423.363224	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M-2H"	-2.014552
"450174"	635.548474	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M-2H"	-2.014552
"830893"	211.177974	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-2H"	-2.014552
"89061"	847.733724	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M-H"	-1.007276
"527526"	1272.104224	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M-H"	-1.007276
"905334"	423.363224	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-H"	-1.007276
"57523"	864.760271	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M-2H+NH4"	16.019271
"498907"	1289.130771	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M-2H+NH4"	16.019271
"876345"	440.389771	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-2H+NH4"	16.019271
"41695"	869.715666	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M-2H+Na"	20.974666
"474694"	1294.086166	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M-2H+Na"	20.974666
"854683"	445.345166	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-2H+Na"	20.974666
"1623123"	445.345166	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Na-2H"	20.974666
"99652"	441.351563	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M-H+Cl"	33.962126
"538118"	653.536813	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M-H+Cl"	33.962126
"931632"	229.166313	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-H+Cl"	33.962126
"272376"	883.710402	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+Cl"	34.969402
"666984"	1308.080902	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+Cl"	34.969402
"1277199"	459.339902	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Cl"	34.969402
"27050"	885.689606	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M-2H+K"	36.948606
"470583"	1310.060106	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M-2H+K"	36.948606
"848063"	461.319106	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-2H+K"	36.948606
"1570823"	461.319106	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+K-2H"	36.948606
"954692"	469.368694	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-H+HCOOH"	44.998194
"376438"	893.739201	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+HCOOH-H"	44.998201
"359959"	907.754851	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+Hac-H"	59.013851
"1506608"	483.384351	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Hac-H"	59.013851
"971357"	491.350651	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-H+NaCOOH"	66.980151
"123179"	459.339902	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+2Cl"	69.938804
"563829"	671.525152	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+2Cl"	69.938804
"1034815"	247.154652	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2Cl"	69.938804
"1254389"	503.289385	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Br"	78.918885
"1318663"	505.345372	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Cl+HCOOH"	80.974872
"1329232"	527.327329	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Cl+NaCOOH"	102.956829
"922476"	537.356086	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M-H+CF3COOH"	112.985586
"1302465"	573.332764	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Cl+CF3COOH"	148.962264
"1381719"	389.357824	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H-2H2O"	-35.012676
"1397884"	407.3678	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H-H2O"	-17.0027
"297812"	849.748276	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+H"	1.007276
"691250"	1274.118776	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+H"	1.007276
"1366704"	425.377776	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H"	1.007276
"134731"	425.377776	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+2H"	2.014552
"574291"	637.563026	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+2H"	2.014552
"1043461"	213.192526	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2H"	2.014552
"208083"	283.920942666667	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+3H"	3.021828
"646548"	425.377776	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+3H"	3.021828
"1165769"	142.464109333333	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+3H"	3.021828
"424907"	866.774823	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+NH4"	18.033823
"795504"	1291.145323	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+NH4"	18.033823
"1681826"	442.404323	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+NH4"	18.033823
"344488"	433.8910495	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+H+NH4"	19.041099
"737277"	646.0762995	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+H+NH4"	19.041099
"1489639"	221.7057995	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H+NH4"	19.041099
"406131"	871.730218	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+Na"	22.989218
"767125"	1296.100718	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+Na"	22.989218
"1614131"	447.359718	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Na"	22.989218
"326355"	436.368747	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+H+Na"	23.996494
"716589"	648.553997	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+H+Na"	23.996494
"1472596"	224.183497	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H+Na"	23.996494
"1061467"	149.791423333333	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2H+Na"	25.00377
"1266426"	457.403986	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+CH3OH+H"	33.033486
"388281"	887.704158	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+K"	38.963158
"751465"	1312.074658	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+K"	38.963158
"1552425"	463.333658	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+K"	38.963158
"305232"	444.355717	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+H+K"	39.970434
"696561"	656.540967	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+H+K"	39.970434
"1454755"	232.170467	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H+K"	39.970434
"245544"	890.774826	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+ACN+H"	42.033826
"1218251"	466.404326	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+ACN+H"	42.033826
"1199949"	233.705801	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+ACN+2H"	43.041102
"193911"	893.71216	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+2Na-H"	44.97116
"631650"	1318.08266	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+2Na-H"	44.97116
"1133821"	469.34166	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2Na-H"	44.97116
"180268"	447.359718	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+2Na"	45.978436
"616550"	659.544968	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+2Na"	45.978436
"1121150"	235.174468	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2Na"	45.978436
"1406860"	157.118737333333	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H+2Na"	46.985712
"1432416"	471.383246	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H+HCOOH"	47.012746
"224301"	452.39274	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+3H2O+2H"	56.04448
"1521114"	485.43529	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+IsoProp+H"	61.06479
"417518"	455.346688	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+Na+K"	61.952376
"777426"	667.531938	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+Na+K"	61.952376
"1670476"	243.161438	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Na+K"	61.952376
"253715"	912.756768	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+ACN+Na"	64.015768
"1230800"	488.386268	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+ACN+Na"	64.015768
"1716036"	488.409793	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+NH4+HCOOH"	64.039293
"1181759"	164.446051333333	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+3Na"	68.967654
"1652379"	493.365188	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Na+HCOOH"	68.994688
"162886"	925.66004	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+2K-H"	76.91904
"603540"	1350.03054	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+2K-H"	76.91904
"1089144"	501.28954	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2K-H"	76.91904
"145960"	463.333658	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"2M+2K"	77.926316
"588811"	675.518908	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"3M+2K"	77.926316
"1072230"	251.148408	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2K"	77.926316
"1107624"	503.304092	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2K+H"	78.933592
"1338545"	503.391707	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+DMSO+H"	79.021207
"1014731"	507.430876	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2ACN+H"	83.060376
"1529576"	508.424508	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+IsoProp+Na+H"	84.054008
"997118"	254.219076	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+2ACN+2H"	84.067652
"1590525"	509.339128	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+K+HCOOH"	84.968628
"1423842"	539.370638	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+H+CF3COOH"	115.000138
"1158504"	274.732351	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+3ACN+2H"	125.094202
"1706960"	556.397185	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+NH4+CF3COOH"	132.026685
"1644798"	561.35258	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+Na+CF3COOH"	136.98208
"1572796"	577.32652	"C16967"	"Glutinone;Alnusenone"	"C30H48O"	"424.3705"	"M+K+CF3COOH"	152.95602
"814101"	366.1103	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M"	0
"989708"	347.09191	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-H2O-H"	-19.01839
"74786"	243.066257333333	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M-3H"	-3.021828
"511067"	365.103024	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M-3H"	-3.021828
"892149"	121.029490666667	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-3H"	-3.021828
"12912"	365.103024	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M-2H"	-2.014552
"447004"	548.158174	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M-2H"	-2.014552
"829180"	182.047874	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-2H"	-2.014552
"86986"	731.213324	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M-H"	-1.007276
"527640"	1097.323624	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M-H"	-1.007276
"901071"	365.103024	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-H"	-1.007276
"57633"	748.239871	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M-2H+NH4"	16.019271
"496101"	1114.350171	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M-2H+NH4"	16.019271
"874997"	382.129571	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-2H+NH4"	16.019271
"42898"	753.195266	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M-2H+Na"	20.974666
"476991"	1119.305566	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M-2H+Na"	20.974666
"858074"	387.084966	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-2H+Na"	20.974666
"1622139"	387.084966	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Na-2H"	20.974666
"99759"	383.091363	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M-H+Cl"	33.962126
"540412"	566.146513	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M-H+Cl"	33.962126
"929555"	200.036213	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-H+Cl"	33.962126
"270663"	767.190002	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+Cl"	34.969402
"664906"	1133.300302	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+Cl"	34.969402
"1275485"	401.079702	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Cl"	34.969402
"17679"	769.169206	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M-2H+K"	36.948606
"461614"	1135.279506	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M-2H+K"	36.948606
"844887"	403.058906	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-2H+K"	36.948606
"1568378"	403.058906	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+K-2H"	36.948606
"954438"	411.108494	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-H+HCOOH"	44.998194
"373020"	777.218801	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+HCOOH-H"	44.998201
"360549"	791.234451	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+Hac-H"	59.013851
"1505372"	425.124151	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Hac-H"	59.013851
"972557"	433.090451	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-H+NaCOOH"	66.980151
"124378"	401.079702	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+2Cl"	69.938804
"563943"	584.134852	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+2Cl"	69.938804
"1035290"	218.024552	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2Cl"	69.938804
"1255229"	445.029185	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Br"	78.918885
"1319097"	447.085172	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Cl+HCOOH"	80.974872
"1332257"	469.067129	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Cl+NaCOOH"	102.956829
"924409"	479.095886	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M-H+CF3COOH"	112.985586
"1301846"	515.072564	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Cl+CF3COOH"	148.962264
"1378547"	331.097624	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H-2H2O"	-35.012676
"1397139"	349.1076	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H-H2O"	-17.0027
"293179"	733.227876	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+H"	1.007276
"689248"	1099.338176	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+H"	1.007276
"1360128"	367.117576	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H"	1.007276
"130832"	367.117576	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+2H"	2.014552
"577684"	550.172726	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+2H"	2.014552
"1042478"	184.062426	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2H"	2.014552
"207098"	245.080809333333	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+3H"	3.021828
"646657"	367.117576	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+3H"	3.021828
"1165876"	123.044042666667	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+3H"	3.021828
"425868"	750.254423	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+NH4"	18.033823
"787226"	1116.364723	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+NH4"	18.033823
"1682098"	384.144123	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+NH4"	18.033823
"330135"	375.6308495	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+H+NH4"	19.041099
"737916"	558.6859995	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+H+NH4"	19.041099
"1491934"	192.5756995	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H+NH4"	19.041099
"399680"	755.209818	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+Na"	22.989218
"765048"	1121.320118	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+Na"	22.989218
"1614241"	389.099518	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Na"	22.989218
"323185"	378.108547	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+H+Na"	23.996494
"713419"	561.163697	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+H+Na"	23.996494
"1465051"	195.053397	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H+Na"	23.996494
"1062672"	130.371356666667	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2H+Na"	25.00377
"1264351"	399.143786	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+CH3OH+H"	33.033486
"381102"	771.183758	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+K"	38.963158
"745014"	1137.294058	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+K"	38.963158
"1547067"	405.073458	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+K"	38.963158
"306435"	386.095517	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+H+K"	39.970434
"696671"	569.150667	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+H+K"	39.970434
"1455959"	203.040367	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H+K"	39.970434
"241279"	774.254426	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+ACN+H"	42.033826
"1212166"	408.144126	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+ACN+H"	42.033826
"1195687"	204.575701	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+ACN+2H"	43.041102
"190743"	777.19176	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+2Na-H"	44.97116
"629329"	1143.30206	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+2Na-H"	44.97116
"1131456"	411.08146	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2Na-H"	44.97116
"183659"	389.099518	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+2Na"	45.978436
"615566"	572.154668	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+2Na"	45.978436
"1117248"	206.044368	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2Na"	45.978436
"1401503"	137.698670666667	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H+2Na"	46.985712
"1433619"	413.123046	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H+HCOOH"	47.012746
"224411"	394.13254	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+3H2O+2H"	56.04448
"1522317"	427.17509	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+IsoProp+H"	61.06479
"417628"	397.086488	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+Na+K"	61.952376
"774257"	580.141638	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+Na+K"	61.952376
"1669494"	214.031338	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Na+K"	61.952376
"253458"	796.236368	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+ACN+Na"	64.015768
"1227750"	430.126068	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+ACN+Na"	64.015768
"1716514"	430.149593	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+NH4+HCOOH"	64.039293
"1185148"	145.025984666667	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+3Na"	68.967654
"1653947"	435.104988	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Na+HCOOH"	68.994688
"161903"	809.13964	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+2K-H"	76.91904
"603648"	1175.24994	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+2K-H"	76.91904
"1086338"	443.02934	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2K-H"	76.91904
"146070"	405.073458	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"2M+2K"	77.926316
"583447"	588.128608	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"3M+2K"	77.926316
"1073433"	222.018308	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2K"	77.926316
"1105548"	445.043892	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2K+H"	78.933592
"1338658"	445.131507	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+DMSO+H"	79.021207
"1009373"	449.170676	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2ACN+H"	83.060376
"1529685"	450.164308	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+IsoProp+Na+H"	84.054008
"991758"	225.088976	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+2ACN+2H"	84.067652
"1591730"	451.078928	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+K+HCOOH"	84.968628
"1418484"	481.110438	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+H+CF3COOH"	115.000138
"1153146"	245.602251	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+3ACN+2H"	125.094202
"1700512"	498.136985	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+NH4+CF3COOH"	132.026685
"1637255"	503.09238	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+Na+CF3COOH"	136.98208
"1571933"	519.06632	"C16968"	"Glycyrol;Neoglycyrol"	"C21H18O6"	"366.1103"	"M+K+CF3COOH"	152.95602
"814211"	416.2199	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M"	0
"989751"	397.20151	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-H2O-H"	-19.01839
"76961"	276.472657333333	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M-3H"	-3.021828
"511177"	415.212624	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M-3H"	-3.021828
"891166"	137.732690666667	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-3H"	-3.021828
"13022"	415.212624	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M-2H"	-2.014552
"447114"	623.322574	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M-2H"	-2.014552
"829291"	207.102674	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-2H"	-2.014552
"91106"	831.432524	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M-H"	-1.007276
"526659"	1247.652424	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M-H"	-1.007276
"901181"	415.212624	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-H"	-1.007276
"56650"	848.459071	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M-2H+NH4"	16.019271
"496211"	1264.678971	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M-2H+NH4"	16.019271
"876566"	432.239171	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-2H+NH4"	16.019271
"42644"	853.414466	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M-2H+Na"	20.974666
"474914"	1269.634366	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M-2H+Na"	20.974666
"858184"	437.194566	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-2H+Na"	20.974666
"1624436"	437.194566	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Na-2H"	20.974666
"99869"	433.200963	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M-H+Cl"	33.962126
"541615"	641.310913	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M-H+Cl"	33.962126
"932944"	225.091013	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-H+Cl"	33.962126
"273686"	867.409202	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+Cl"	34.969402
"665013"	1283.629102	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+Cl"	34.969402
"1275230"	451.189302	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Cl"	34.969402
"17789"	869.388406	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M-2H+K"	36.948606
"462817"	1285.608306	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M-2H+K"	36.948606
"844633"	453.168506	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-2H+K"	36.948606
"1568488"	453.168506	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+K-2H"	36.948606
"954184"	461.218094	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-H+HCOOH"	44.998194
"373858"	877.438001	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+HCOOH-H"	44.998201
"360660"	891.453651	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+Hac-H"	59.013851
"1505117"	475.233751	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Hac-H"	59.013851
"972665"	483.200051	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-H+NaCOOH"	66.980151
"124123"	451.189302	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+2Cl"	69.938804
"564414"	659.299252	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+2Cl"	69.938804
"1036494"	243.079352	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2Cl"	69.938804
"1254978"	495.138785	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Br"	78.918885
"1318882"	497.194772	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Cl+HCOOH"	80.974872
"1329451"	519.176729	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Cl+NaCOOH"	102.956829
"924519"	529.205486	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M-H+CF3COOH"	112.985586
"1299040"	565.182164	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Cl+CF3COOH"	148.962264
"1379022"	381.207224	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H-2H2O"	-35.012676
"1397007"	399.2172	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H-H2O"	-17.0027
"294018"	833.447076	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+H"	1.007276
"687169"	1249.666976	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+H"	1.007276
"1359143"	417.227176	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H"	1.007276
"130941"	417.227176	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+2H"	2.014552
"577794"	625.337126	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+2H"	2.014552
"1038578"	209.117226	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2H"	2.014552
"207208"	278.487209333333	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+3H"	3.021828
"644818"	417.227176	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+3H"	3.021828
"1164893"	139.747242666667	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+3H"	3.021828
"425977"	850.473623	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+NH4"	18.033823
"785998"	1266.693523	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+NH4"	18.033823
"1681719"	434.253723	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+NH4"	18.033823
"329986"	425.7404495	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+H+NH4"	19.041099
"733854"	633.8503995	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+H+NH4"	19.041099
"1491803"	217.6304995	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H+NH4"	19.041099
"399790"	855.429018	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+Na"	22.989218
"765158"	1271.648918	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+Na"	22.989218
"1614351"	439.209118	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Na"	22.989218
"322202"	428.218147	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+H+Na"	23.996494
"713529"	636.328097	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+H+Na"	23.996494
"1466254"	220.108197	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H+Na"	23.996494
"1060595"	147.074556666667	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2H+Na"	25.00377
"1265554"	449.253386	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+CH3OH+H"	33.033486
"381212"	871.402958	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+K"	38.963158
"745124"	1287.622858	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+K"	38.963158
"1548270"	455.183058	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+K"	38.963158
"309823"	436.205117	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+H+K"	39.970434
"700060"	644.315067	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+H+K"	39.970434
"1448414"	228.095167	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H+K"	39.970434
"238107"	874.473626	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+ACN+H"	42.033826
"1210451"	458.253726	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+ACN+H"	42.033826
"1194415"	229.630501	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+ACN+2H"	43.041102
"189392"	877.41096	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+2Na-H"	44.97116
"630046"	1293.63086	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+2Na-H"	44.97116
"1131769"	461.19106	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2Na-H"	44.97116
"172881"	439.209118	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+2Na"	45.978436
"613118"	647.319068	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+2Na"	45.978436
"1115896"	231.099168	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2Na"	45.978436
"1398605"	154.401870666667	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H+2Na"	46.985712
"1430449"	463.232646	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H+HCOOH"	47.012746
"221237"	444.24214	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+3H2O+2H"	56.04448
"1521334"	477.28469	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+IsoProp+H"	61.06479
"414458"	447.196088	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+Na+K"	61.952376
"774367"	655.306038	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+Na+K"	61.952376
"1669602"	239.086138	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Na+K"	61.952376
"253934"	896.455568	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+ACN+Na"	64.015768
"1231019"	480.235668	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+ACN+Na"	64.015768
"1719904"	480.259193	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+NH4+HCOOH"	64.039293
"1188538"	161.729184666667	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+3Na"	68.967654
"1654057"	485.214588	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Na+HCOOH"	68.994688
"159826"	909.35884	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+2K-H"	76.91904
"602666"	1325.57874	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+2K-H"	76.91904
"1089366"	493.13894	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2K-H"	76.91904
"145086"	455.183058	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"2M+2K"	77.926316
"582098"	663.293008	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"3M+2K"	77.926316
"1075729"	247.073108	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2K"	77.926316
"1108937"	495.153492	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2K+H"	78.933592
"1342048"	495.241107	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+DMSO+H"	79.021207
"1009483"	499.280276	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2ACN+H"	83.060376
"1529795"	500.273908	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+IsoProp+Na+H"	84.054008
"991868"	250.143776	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+2ACN+2H"	84.067652
"1591840"	501.188528	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+K+HCOOH"	84.968628
"1417501"	531.220038	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+H+CF3COOH"	115.000138
"1153256"	270.657051	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+3ACN+2H"	125.094202
"1701715"	548.246585	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+NH4+CF3COOH"	132.026685
"1638458"	553.20198	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+Na+CF3COOH"	136.98208
"1571922"	569.17592	"C16969"	"Hellebrigenin;Bufotalidin"	"C24H32O6"	"416.2199"	"M+K+CF3COOH"	152.95602
"815782"	222.1984	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M"	0
"989197"	203.18001	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"75007"	147.124990666667	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"509101"	221.191124	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"885810"	73.0588573333333	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"12038"	221.191124	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"443947"	332.290324	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"821748"	110.091924	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"83927"	443.389524	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"524580"	665.587924	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"904208"	221.191124	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"56395"	460.416071	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"495229"	682.614471	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"871937"	238.217671	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"40931"	465.371466	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"477210"	687.569866	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"856107"	243.173066	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1624546"	243.173066	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"102167"	239.179463	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"539539"	350.278663	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"931962"	128.080263	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"276715"	479.366202	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"668406"	701.564602	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1275342"	257.167802	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"18020"	481.345406	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"462927"	703.543806	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"842919"	259.147006	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1568599"	259.147006	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"954294"	267.196594	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"375792"	489.395001	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"360406"	503.410651	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1505956"	281.212251	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"973018"	289.178551	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"124478"	257.167802	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"563068"	368.267002	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1036241"	146.068602	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1255083"	301.117285	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1318994"	303.173272	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1329561"	325.155229	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"918433"	335.183986	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1296234"	371.160664	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1378769"	187.185724	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1393713"	205.1957	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"295223"	445.404076	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"686551"	667.602476	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1358160"	223.205676	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"132144"	223.205676	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"577904"	334.304876	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1039417"	112.106476	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"208412"	149.139542666667	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"644690"	223.205676	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1168285"	75.0734093333333	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"426087"	462.430623	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"786232"	684.629023	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1682318"	240.232223	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"330234"	231.7189495	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"732870"	342.8181495	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1488874"	120.6197495	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"399900"	467.386018	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"765268"	689.584418	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1606078"	245.187618	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"324499"	234.196647	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"714733"	345.295847	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1468553"	123.097447	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1065081"	82.4007233333333	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1264571"	255.231886	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"387521"	483.359958	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"748515"	705.558358	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1551299"	261.161558	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"309934"	242.183617	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"700170"	353.282817	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1449618"	131.084417	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"239312"	486.430626	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1211293"	264.232226	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1194528"	132.619751	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"189502"	489.36796	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"630882"	711.56636	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1132930"	267.16956	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"174037"	245.187618	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"614322"	356.286818	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1116129"	134.088418	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1399535"	89.7280373333333	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1432017"	269.211146	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"222077"	250.22064	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1522174"	283.26319	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"414568"	253.174588	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"779945"	364.273788	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1671902"	142.075388	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"258420"	508.412568	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1231130"	286.214168	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1722201"	286.237693	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1192296"	97.0553513333333	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1650522"	291.193088	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"162122"	521.31584	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"602776"	743.51424	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1086194"	299.11744	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"147383"	261.161558	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"582209"	372.260758	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1073654"	150.062358	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1104675"	301.131992	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1342158"	301.219607	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1009593"	305.258776	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1527718"	306.252408	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"991978"	153.133026	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1588668"	307.167028	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1418704"	337.198538	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1153367"	173.646301	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1705107"	354.225085	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1642943"	359.18048	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1572032"	375.15442	"C16970"	"Hinesol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"816138"	366.1943	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M"	0
"989349"	347.17591	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-H2O-H"	-19.01839
"77182"	243.122257333333	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M-3H"	-3.021828
"512490"	365.187024	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M-3H"	-3.021828
"889199"	121.057490666667	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-3H"	-3.021828
"11055"	365.187024	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M-2H"	-2.014552
"445150"	548.284174	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M-2H"	-2.014552
"829147"	182.089874	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-2H"	-2.014552
"84037"	731.381324	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M-H"	-1.007276
"524691"	1097.575624	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M-H"	-1.007276
"905775"	365.187024	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-H"	-1.007276
"55775"	748.407871	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M-2H+NH4"	16.019271
"494244"	1114.602171	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M-2H+NH4"	16.019271
"872046"	382.213571	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-2H+NH4"	16.019271
"41040"	753.363266	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M-2H+Na"	20.974666
"482057"	1119.557566	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M-2H+Na"	20.974666
"852937"	387.168966	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-2H+Na"	20.974666
"1623563"	387.168966	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Na-2H"	20.974666
"98998"	383.175363	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M-H+Cl"	33.962126
"540743"	566.272513	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M-H+Cl"	33.962126
"932071"	200.078213	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-H+Cl"	33.962126
"276461"	767.358002	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+Cl"	34.969402
"668516"	1133.552302	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+Cl"	34.969402
"1276545"	401.163702	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Cl"	34.969402
"18009"	769.337206	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M-2H+K"	36.948606
"464130"	1135.531506	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M-2H+K"	36.948606
"844850"	403.142906	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-2H+K"	36.948606
"1566516"	403.142906	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+K-2H"	36.948606
"952216"	411.192494	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-H+HCOOH"	44.998194
"373715"	777.386801	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+HCOOH-H"	44.998201
"358328"	791.402451	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+Hac-H"	59.013851
"1503878"	425.208151	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Hac-H"	59.013851
"973857"	433.174451	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-H+NaCOOH"	66.980151
"125440"	401.163702	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+2Cl"	69.938804
"565001"	584.260852	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+2Cl"	69.938804
"1037017"	218.066552	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2Cl"	69.938804
"1252641"	445.113185	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Br"	78.918885
"1318008"	447.169172	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Cl+HCOOH"	80.974872
"1328577"	469.151129	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Cl+NaCOOH"	102.956829
"917448"	479.179886	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M-H+CF3COOH"	112.985586
"1296342"	515.156564	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Cl+CF3COOH"	148.962264
"1380336"	331.181624	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H-2H2O"	-35.012676
"1394188"	349.1916	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H-H2O"	-17.0027
"293876"	733.395876	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+H"	1.007276
"685203"	1099.590176	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+H"	1.007276
"1361189"	367.201576	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H"	1.007276
"134077"	367.201576	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+2H"	2.014552
"578378"	550.298726	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+2H"	2.014552
"1039526"	184.104426	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2H"	2.014552
"207428"	245.136809333333	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+3H"	3.021828
"645528"	367.201576	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+3H"	3.021828
"1166208"	123.072042666667	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+3H"	3.021828
"427657"	750.422423	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+NH4"	18.033823
"789016"	1116.616723	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+NH4"	18.033823
"1683159"	384.228123	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+NH4"	18.033823
"331559"	375.7148495	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+H+NH4"	19.041099
"734073"	558.8119995	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+H+NH4"	19.041099
"1488984"	192.6176995	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H+NH4"	19.041099
"403290"	755.377818	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+Na"	22.989218
"768658"	1121.572118	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+Na"	22.989218
"1606917"	389.183518	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Na"	22.989218
"325702"	378.192547	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+H+Na"	23.996494
"714843"	561.289697	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+H+Na"	23.996494
"1469757"	195.095397	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H+Na"	23.996494
"1063003"	130.399356666667	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2H+Na"	25.00377
"1267961"	399.227786	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+CH3OH+H"	33.033486
"388726"	771.351758	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+K"	38.963158
"748627"	1137.546058	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+K"	38.963158
"1551776"	405.157458	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+K"	38.963158
"310044"	386.179517	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+H+K"	39.970434
"699187"	569.276667	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+H+K"	39.970434
"1451915"	203.082367	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H+K"	39.970434
"240516"	774.422426	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+ACN+H"	42.033826
"1212132"	408.228126	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+ACN+H"	42.033826
"1194678"	204.617701	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+ACN+2H"	43.041102
"189611"	777.35976	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+2Na-H"	44.97116
"629779"	1143.55406	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+2Na-H"	44.97116
"1133405"	411.16546	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2Na-H"	44.97116
"174512"	389.183518	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+2Na"	45.978436
"613624"	572.280668	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+2Na"	45.978436
"1116728"	206.086368	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2Na"	45.978436
"1399280"	137.726670666667	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H+2Na"	46.985712
"1431275"	413.207046	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H+HCOOH"	47.012746
"222916"	394.21654	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+3H2O+2H"	56.04448
"1521919"	427.25909	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+H"	61.06479
"414678"	397.170488	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+Na+K"	61.952376
"780055"	580.267638	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+Na+K"	61.952376
"1674198"	214.073338	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Na+K"	61.952376
"255614"	796.404368	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+ACN+Na"	64.015768
"1233427"	430.210068	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+ACN+Na"	64.015768
"1723405"	430.233593	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+NH4+HCOOH"	64.039293
"1192891"	145.053984666667	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+3Na"	68.967654
"1653185"	435.188988	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Na+HCOOH"	68.994688
"164419"	809.30764	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+2K-H"	76.91904
"601793"	1175.50194	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+2K-H"	76.91904
"1089585"	443.11334	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2K-H"	76.91904
"148588"	405.157458	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"2M+2K"	77.926316
"584140"	588.254608	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"3M+2K"	77.926316
"1073759"	222.060308	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2K"	77.926316
"1101867"	445.127892	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2K+H"	78.933592
"1342266"	445.215507	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+DMSO+H"	79.021207
"1015171"	449.254676	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2ACN+H"	83.060376
"1526734"	450.248308	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+Na+H"	84.054008
"991237"	225.130976	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+2ACN+2H"	84.067652
"1587927"	451.162928	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+K+HCOOH"	84.968628
"1416627"	481.194438	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+H+CF3COOH"	115.000138
"1152382"	245.644251	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+3ACN+2H"	125.094202
"1705217"	498.220985	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+NH4+CF3COOH"	132.026685
"1641960"	503.17638	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+Na+CF3COOH"	136.98208
"1574330"	519.15032	"C16971"	"Hirsuteine"	"C22H26N2O3"	"366.1943"	"M+K+CF3COOH"	152.95602
"816730"	368.21	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M"	0
"989827"	349.19161	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-H2O-H"	-19.01839
"76320"	244.466057333333	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M-3H"	-3.021828
"512601"	367.202724	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M-3H"	-3.021828
"890403"	121.729390666667	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-3H"	-3.021828
"10071"	367.202724	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M-2H"	-2.014552
"444167"	551.307724	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M-2H"	-2.014552
"828528"	183.097724	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-2H"	-2.014552
"84147"	735.412724	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M-H"	-1.007276
"523708"	1103.622724	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M-H"	-1.007276
"904792"	367.202724	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-H"	-1.007276
"54791"	752.439271	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M-2H+NH4"	16.019271
"497632"	1120.649271	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M-2H+NH4"	16.019271
"871062"	384.229271	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-2H+NH4"	16.019271
"43337"	757.394666	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M-2H+Na"	20.974666
"481802"	1125.604666	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M-2H+Na"	20.974666
"853047"	389.184666	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-2H+Na"	20.974666
"1624765"	389.184666	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Na-2H"	20.974666
"101295"	385.191063	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M-H+Cl"	33.962126
"540854"	569.296063	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M-H+Cl"	33.962126
"935462"	201.086063	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-H+Cl"	33.962126
"279851"	771.389402	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+Cl"	34.969402
"668626"	1139.599402	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+Cl"	34.969402
"1275562"	403.179402	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Cl"	34.969402
"18240"	773.368606	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M-2H+K"	36.948606
"464240"	1141.578606	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M-2H+K"	36.948606
"846417"	405.158606	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-2H+K"	36.948606
"1566626"	405.158606	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+K-2H"	36.948606
"952326"	413.208194	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-H+HCOOH"	44.998194
"373461"	781.418201	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+HCOOH-H"	44.998201
"358438"	795.433851	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+Hac-H"	59.013851
"1501072"	427.223851	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Hac-H"	59.013851
"973239"	435.190151	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-H+NaCOOH"	66.980151
"125182"	403.179402	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+2Cl"	69.938804
"564627"	587.284402	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+2Cl"	69.938804
"1034875"	219.074402	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2Cl"	69.938804
"1250927"	447.128885	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Br"	78.918885
"1317751"	449.184872	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Cl+HCOOH"	80.974872
"1326500"	471.166829	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Cl+NaCOOH"	102.956829
"915371"	481.195586	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M-H+CF3COOH"	112.985586
"1292080"	517.172264	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Cl+CF3COOH"	148.962264
"1372427"	333.197324	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H-2H2O"	-35.012676
"1386645"	351.2073	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H-H2O"	-17.0027
"288517"	737.427276	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+H"	1.007276
"679846"	1105.637276	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+H"	1.007276
"1356195"	369.217276	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H"	1.007276
"131271"	369.217276	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+2H"	2.014552
"568646"	553.322276	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+2H"	2.014552
"1038907"	185.112276	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2H"	2.014552
"205715"	246.480609333333	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+3H"	3.021828
"644582"	369.217276	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+3H"	3.021828
"1165223"	123.743942666667	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+3H"	3.021828
"426307"	754.453823	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+NH4"	18.033823
"787302"	1122.663823	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+NH4"	18.033823
"1683997"	386.243823	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+NH4"	18.033823
"330820"	377.7305495	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+H+NH4"	19.041099
"733089"	561.8355495	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+H+NH4"	19.041099
"1486908"	193.6255495	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H+NH4"	19.041099
"403400"	759.409218	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+Na"	22.989218
"768768"	1127.619218	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+Na"	22.989218
"1607391"	391.199218	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Na"	22.989218
"322532"	380.208247	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+H+Na"	23.996494
"716047"	564.313247	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+H+Na"	23.996494
"1469867"	196.103247	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H+Na"	23.996494
"1059833"	131.071256666667	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2H+Na"	25.00377
"1262603"	401.243486	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+CH3OH+H"	33.033486
"387742"	775.383158	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+K"	38.963158
"749830"	1143.593158	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+K"	38.963158
"1552979"	407.173158	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+K"	38.963158
"311246"	388.195217	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+H+K"	39.970434
"699297"	572.300217	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+H+K"	39.970434
"1453120"	204.090217	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H+K"	39.970434
"241722"	778.453826	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+ACN+H"	42.033826
"1210782"	410.243826	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+ACN+H"	42.033826
"1194338"	205.625551	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+ACN+2H"	43.041102
"190211"	781.39116	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+2Na-H"	44.97116
"629645"	1149.60116	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+2Na-H"	44.97116
"1132175"	413.18116	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2Na-H"	44.97116
"177538"	391.199218	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+2Na"	45.978436
"613452"	575.304218	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+2Na"	45.978436
"1116959"	207.094218	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2Na"	45.978436
"1399997"	138.398570666667	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H+2Na"	46.985712
"1432602"	415.222746	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H+HCOOH"	47.012746
"221445"	396.23224	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+3H2O+2H"	56.04448
"1520207"	429.27479	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+IsoProp+H"	61.06479
"412965"	399.186188	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+Na+K"	61.952376
"777978"	583.291188	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+Na+K"	61.952376
"1674308"	215.081188	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Na+K"	61.952376
"253901"	800.435768	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+ACN+Na"	64.015768
"1231350"	432.225768	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+ACN+Na"	64.015768
"1721328"	432.249293	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+NH4+HCOOH"	64.039293
"1191056"	145.725884666667	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+3Na"	68.967654
"1652201"	437.204688	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Na+HCOOH"	68.994688
"164529"	813.33904	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+2K-H"	76.91904
"601902"	1181.54904	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+2K-H"	76.91904
"1091883"	445.12904	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2K-H"	76.91904
"147605"	407.173158	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"2M+2K"	77.926316
"584979"	591.278158	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"3M+2K"	77.926316
"1072776"	223.068158	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2K"	77.926316
"1102706"	447.143592	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2K+H"	78.933592
"1340188"	447.231207	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+DMSO+H"	79.021207
"1013094"	451.270376	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2ACN+H"	83.060376
"1527937"	452.264008	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+IsoProp+Na+H"	84.054008
"993291"	226.138826	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+2ACN+2H"	84.067652
"1589252"	453.178628	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+K+HCOOH"	84.968628
"1415644"	483.210138	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+H+CF3COOH"	115.000138
"1149212"	246.652101	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+3ACN+2H"	125.094202
"1702046"	500.236685	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+NH4+CF3COOH"	132.026685
"1643163"	505.19208	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+Na+CF3COOH"	136.98208
"1574440"	521.16602	"C16972"	"Hirsutine"	"C22H28N2O3"	"368.21"	"M+K+CF3COOH"	152.95602
"816477"	426.3862	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M"	0
"989122"	407.36781	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"72058"	283.250190666667	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"514900"	425.378924	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"887232"	141.121457333333	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"10182"	425.378924	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"447555"	638.572024	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"825359"	212.185824	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"80610"	851.765124	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"522723"	1278.151324	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"908911"	425.378924	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"54901"	868.791671	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"494464"	1295.177871	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"874452"	442.405471	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"44539"	873.747066	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"477540"	1300.133266	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"853157"	447.360866	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1622689"	447.360866	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"97031"	443.367263	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"538777"	656.560363	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"936665"	230.174163	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"277410"	887.741802	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"666550"	1314.128002	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1274943"	461.355602	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"18229"	889.721006	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"461069"	1316.107206	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"842155"	463.334806	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1562364"	463.334806	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"955721"	471.384394	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"372477"	897.770601	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"355997"	911.786251	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1501182"	485.400051	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"973345"	493.366351	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"125617"	461.355602	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"560841"	674.548702	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1032919"	248.162502	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1251039"	505.305085	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1312395"	507.361072	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1328797"	529.343029	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"916575"	539.371786	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1292191"	575.348464	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1371444"	391.373524	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1386755"	409.3835	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"292273"	853.779676	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"680686"	1280.165876	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1359221"	427.393476	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"129923"	427.393476	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"568756"	640.586576	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1037086"	214.200376	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"204415"	285.264742666667	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"644256"	427.393476	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1162808"	143.136009333333	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"424267"	870.806223	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"785823"	1297.192423	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1683743"	444.420023	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"334577"	435.9067495	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"733199"	649.0998495	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1487018"	222.7136495	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"401324"	875.761618	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"764507"	1302.147818	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1608233"	449.375418	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"325924"	438.384447	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"719438"	651.577547	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1466698"	225.191347	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1058848"	150.463323333333	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1263812"	459.419686	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"385666"	891.735558	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"751036"	1318.121758	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1554182"	465.349358	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"310992"	446.371417	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"699408"	659.564517	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1452137"	233.178317	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"246206"	894.806226	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1211259"	468.420026	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1196234"	234.713651	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"190565"	897.74356	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"629027"	1324.12976	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1131637"	471.35736	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"173397"	449.375418	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"613058"	662.568518	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1115855"	236.182318	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1406065"	157.790637333333	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1440734"	473.398946	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"220215"	454.40844	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1521777"	487.45099	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"413806"	457.362388	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"780273"	670.555488	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1670044"	244.169288	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"262031"	916.788168	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1233646"	490.401968	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1714149"	490.425493	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1182420"	165.117951333333	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1650854"	495.380888	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"160265"	929.69144	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"598732"	1356.07764	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1089806"	503.30524	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"143096"	465.349358	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"583998"	678.542458	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1076170"	252.156258	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1107191"	505.319792	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1342484"	505.407407	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1015391"	509.446576	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1526103"	510.440208	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"993401"	255.226926	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1588147"	511.354828	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1415874"	541.386338	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1148228"	275.740201	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1704342"	558.412885	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1642179"	563.36828	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1574550"	579.34222	"C16973"	"Isoarborinol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"816345"	220.1827	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M"	0
"989152"	201.16431	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"74355"	145.781190666667	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"515011"	219.175424	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"889529"	72.3869573333333	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"10292"	219.175424	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"449852"	329.266774	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"817609"	109.084074	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"79017"	439.358124	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"527209"	659.540824	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"910115"	219.175424	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"55011"	456.384671	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"498948"	676.567371	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"873470"	236.201971	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"42465"	461.340066	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"479837"	681.522766	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"853267"	241.157366	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1621707"	241.157366	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"99328"	237.163763	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"537794"	347.255113	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"933498"	127.072413	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"273150"	475.334802	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"665570"	695.517502	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1277970"	255.152102	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"21619"	477.314006	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"460087"	697.496706	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"843360"	257.131306	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1564664"	257.131306	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"956195"	265.180894	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"372951"	485.363601	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"360848"	499.379251	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1502387"	279.196551	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"972118"	287.162851	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"124308"	255.152102	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"559129"	365.243452	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1030478"	145.060752	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1250055"	299.101585	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1305942"	301.157572	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1324533"	323.139529	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"917780"	333.168286	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1291207"	369.144964	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1372649"	185.170024	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1384678"	203.18	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"289831"	441.372676	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"681160"	661.555376	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1356415"	221.189976	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"134773"	221.189976	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"569960"	331.281326	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1037293"	111.098626	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"204464"	147.795742666667	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"644642"	221.189976	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1162809"	74.4015093333333	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"424570"	458.399223	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"785894"	678.581923	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1683853"	238.216523	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"335416"	229.7032495	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"734767"	339.7945995	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1487128"	119.6118995	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"401434"	463.354618	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"763524"	683.537318	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1608343"	243.171918	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"320567"	232.180947	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"717362"	342.272297	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1466443"	122.089597	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1058958"	81.7288233333333	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1263922"	253.216186	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"384683"	479.328558	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"747866"	699.511258	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1552105"	259.145858	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"309279"	240.167917	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"698425"	350.259267	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1452247"	130.076567	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"243034"	482.399226	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1210638"	262.216526	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1194242"	131.611901	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"188647"	485.33656	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"628643"	705.51926	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1131338"	265.15386	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"172991"	243.171918	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"612830"	353.263268	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1116573"	133.080568	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1405447"	89.0561373333333	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1440844"	267.195446	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"220572"	248.20494	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1523224"	281.24749	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417196"	251.158888	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"780386"	361.250238	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1675623"	141.067538	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"258860"	504.381168	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1232663"	284.198468	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1716084"	284.221993	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1183624"	96.3834513333333	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1652789"	289.177388	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"160379"	517.28444	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"598114"	737.46714	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1086636"	297.10174	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"142116"	259.145858	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"586299"	369.237208	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1077374"	149.054508	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1109490"	299.116292	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1344783"	299.203907	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1013314"	303.243076	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1529252"	304.236708	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"990473"	152.125176	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1588258"	305.151328	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1421330"	335.182838	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1152714"	172.638451	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1708827"	352.209385	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1640103"	357.16478	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1574660"	373.13872	"C16974"	"Isocyperol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"813778"	208.1099	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M"	0
"988406"	189.09151	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"77380"	137.732657333333	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"505279"	207.102624	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"886359"	68.3626906666667	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"9309"	207.102624	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"447775"	311.157574	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"820111"	103.047674	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"78919"	415.212524	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"522578"	623.322424	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"908766"	207.102624	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"55121"	432.239071	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"496870"	640.348971	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"871394"	224.129171	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"39294"	437.194466	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"479946"	645.304366	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"858842"	229.084566	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1619994"	229.084566	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"98342"	225.090963	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"541184"	329.145913	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"934700"	121.036013	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"274349"	451.189202	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"666773"	659.299102	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1279173"	243.079302	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"19176"	453.168406	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"458737"	661.278306	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"843470"	245.058506	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1566960"	245.058506	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"954482"	253.108094	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"366500"	461.218001	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"356948"	475.233651	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1502862"	267.123751	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"971500"	275.090051	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"121501"	243.079302	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"557416"	347.134252	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1027308"	139.024352	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1250165"	287.028785	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1306051"	289.084772	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1324643"	311.066729	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"917890"	321.095486	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1290224"	357.072164	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1369478"	173.097224	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1383330"	191.1072	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"293221"	417.227076	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"680177"	625.336976	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1356525"	209.117176	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"134883"	209.117176	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"572256"	313.172126	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1038382"	105.062226	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"204946"	139.747209333333	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"645359"	209.117176	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1162992"	70.3772426666667	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"424803"	434.253623	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"786045"	642.363523	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1681404"	226.143723	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"335526"	217.6304495	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"734513"	321.6853995	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1488331"	113.5754995	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"404824"	439.209018	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"764727"	647.318918	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1611733"	231.099118	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"321771"	220.108147	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"719659"	324.163097	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1469105"	116.053197	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1060161"	77.7045566666667	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1262939"	241.143386	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"388074"	455.182958	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"747977"	663.292858	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1554403"	247.073058	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"309391"	228.095117	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"702907"	332.150067	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1454540"	124.040167	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"242051"	458.253626	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1210072"	250.143726	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1194508"	125.575501	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"188642"	461.19096	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"628589"	669.30086	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1131391"	253.08106	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"172945"	231.099118	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"612826"	335.154068	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1116318"	127.044168	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1405557"	85.0318706666667	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1440954"	255.122646	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"220275"	236.13214	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1521633"	269.17469	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"417306"	239.086088	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"780496"	343.141038	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1674640"	135.031138	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"260063"	480.235568	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1234959"	272.125668	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1717286"	272.149193	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1183734"	92.3591846666667	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1651805"	277.104588	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"160489"	493.13884	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"600047"	701.24874	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1086747"	285.02894	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"142106"	247.073058	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"585680"	351.128008	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1072015"	143.018108	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1106320"	287.043492	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1339426"	287.131107	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1011235"	291.170276	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1532643"	292.163908	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"990095"	146.088776	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1587266"	293.078528	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1421440"	323.110038	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1152823"	166.602051	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1705657"	340.136585	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1640213"	345.09198	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1571490"	361.06592	"C16975"	"Isoelemicin"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"816524"	270.0892	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M"	0
"988516"	251.07081	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-H2O-H"	-19.01839
"78292"	179.052190666667	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M-3H"	-3.021828
"516325"	269.081924	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M-3H"	-3.021828
"894123"	89.0224573333333	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-3H"	-3.021828
"15485"	269.081924	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M-2H"	-2.014552
"453353"	404.126524	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M-2H"	-2.014552
"825689"	134.037324	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-2H"	-2.014552
"82400"	539.171124	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M-H"	-1.007276
"519407"	809.260324	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M-H"	-1.007276
"901950"	269.081924	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-H"	-1.007276
"51950"	556.197671	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M-2H+NH4"	16.019271
"496981"	826.286871	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M-2H+NH4"	16.019271
"876604"	286.108471	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-2H+NH4"	16.019271
"40498"	561.153066	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M-2H+Na"	20.974666
"480057"	831.242266	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M-2H+Na"	20.974666
"857859"	291.063866	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-2H+Na"	20.974666
"1619375"	291.063866	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Na-2H"	20.974666
"98452"	287.070263	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M-H+Cl"	33.962126
"540203"	422.114863	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M-H+Cl"	33.962126
"932625"	152.025663	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-H+Cl"	33.962126
"275555"	575.147802	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+Cl"	34.969402
"666884"	845.237002	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+Cl"	34.969402
"1279285"	305.058602	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Cl"	34.969402
"20015"	577.127006	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M-2H+K"	36.948606
"460305"	847.216206	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M-2H+K"	36.948606
"836289"	307.037806	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-2H+K"	36.948606
"1568892"	307.037806	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+K-2H"	36.948606
"953863"	315.087394	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-H+HCOOH"	44.998194
"370984"	585.176601	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+HCOOH-H"	44.998201
"358152"	599.192251	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+Hac-H"	59.013851
"1505522"	329.103051	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Hac-H"	59.013851
"971245"	337.069351	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-H+NaCOOH"	66.980151
"116872"	305.058602	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+2Cl"	69.938804
"556431"	440.103202	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+2Cl"	69.938804
"1028511"	170.014002	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2Cl"	69.938804
"1244808"	349.008085	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Br"	78.918885
"1311630"	351.064072	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Cl+HCOOH"	80.974872
"1326939"	373.046029	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Cl+NaCOOH"	102.956829
"922373"	383.074786	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M-H+CF3COOH"	112.985586
"1293614"	419.051464	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Cl+CF3COOH"	148.962264
"1372869"	235.076524	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H-2H2O"	-35.012676
"1387086"	253.0865	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H-H2O"	-17.0027
"290052"	541.185676	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+H"	1.007276
"680288"	811.274876	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+H"	1.007276
"1353356"	271.096476	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H"	1.007276
"132806"	271.096476	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+2H"	2.014552
"573462"	406.141076	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+2H"	2.014552
"1038616"	136.051876	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2H"	2.014552
"205059"	181.066742666667	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+3H"	3.021828
"644267"	271.096476	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+3H"	3.021828
"1162785"	91.0370093333333	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+3H"	3.021828
"424550"	558.212223	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+NH4"	18.033823
"786158"	828.301423	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+NH4"	18.033823
"1681360"	288.123023	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+NH4"	18.033823
"331625"	279.6097495	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+H+NH4"	19.041099
"735715"	414.6543495	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+H+NH4"	19.041099
"1488441"	144.5651495	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H+NH4"	19.041099
"408053"	563.167618	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+Na"	22.989218
"764837"	833.256818	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+Na"	22.989218
"1611843"	293.078418	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Na"	22.989218
"322974"	282.087447	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+H+Na"	23.996494
"721229"	417.132047	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+H+Na"	23.996494
"1468122"	147.042847	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H+Na"	23.996494
"1066834"	98.3643233333333	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2H+Na"	25.00377
"1265231"	303.122686	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+CH3OH+H"	33.033486
"389277"	579.141558	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+K"	38.963158
"750273"	849.230758	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+K"	38.963158
"1551232"	309.052358	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+K"	38.963158
"312417"	290.074417	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+H+K"	39.970434
"704840"	425.119017	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+H+K"	39.970434
"1453556"	155.029817	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H+K"	39.970434
"243254"	582.212226	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+ACN+H"	42.033826
"1211953"	312.123026	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+ACN+H"	42.033826
"1194984"	156.565151	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+ACN+2H"	43.041102
"189098"	585.14956	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+2Na-H"	44.97116
"628945"	855.23876	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+2Na-H"	44.97116
"1132013"	315.06036	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2Na-H"	44.97116
"173390"	293.078418	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+2Na"	45.978436
"613404"	428.123018	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+2Na"	45.978436
"1116308"	158.033818	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2Na"	45.978436
"1406760"	105.691637333333	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H+2Na"	46.985712
"1437784"	317.101946	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H+HCOOH"	47.012746
"225292"	298.11144	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+3H2O+2H"	56.04448
"1523082"	331.15399	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+IsoProp+H"	61.06479
"418876"	301.065388	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+Na+K"	61.952376
"781699"	436.109988	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+Na+K"	61.952376
"1678031"	166.020788	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Na+K"	61.952376
"260175"	604.194168	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+ACN+Na"	64.015768
"1230697"	334.104968	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+ACN+Na"	64.015768
"1716303"	334.128493	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+NH4+HCOOH"	64.039293
"1189311"	113.018951333333	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+3Na"	68.967654
"1653009"	339.083888	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Na+HCOOH"	68.994688
"160599"	617.09744	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+2K-H"	76.91904
"599065"	887.18664	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+2K-H"	76.91904
"1085035"	347.00824	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2K-H"	76.91904
"142214"	309.052358	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"2M+2K"	77.926316
"586519"	444.096958	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"3M+2K"	77.926316
"1077594"	174.007758	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2K"	77.926316
"1106430"	349.022792	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2K+H"	78.933592
"1342817"	349.110407	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+DMSO+H"	79.021207
"1012440"	353.149576	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2ACN+H"	83.060376
"1534940"	354.143208	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+IsoProp+Na+H"	84.054008
"991910"	177.078426	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+2ACN+2H"	84.067652
"1592611"	355.057828	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+K+HCOOH"	84.968628
"1419365"	385.089338	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+H+CF3COOH"	115.000138
"1155122"	197.591701	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+3ACN+2H"	125.094202
"1705767"	402.115885	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+NH4+CF3COOH"	132.026685
"1643603"	407.07128	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+Na+CF3COOH"	136.98208
"1572693"	423.04522	"C16976"	"Isoimperatorin"	"C16H14O4"	"270.0892"	"M+K+CF3COOH"	152.95602
"813998"	222.162	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M"	0
"986439"	203.14361	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-H2O-H"	-19.01839
"77237"	147.100724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M-3H"	-3.021828
"512058"	221.154724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M-3H"	-3.021828
"889859"	73.046724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-3H"	-3.021828
"10257"	221.154724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M-2H"	-2.014552
"453829"	332.235724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M-2H"	-2.014552
"830173"	110.073724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-2H"	-2.014552
"90531"	443.316724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M-H"	-1.007276
"522797"	665.478724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M-H"	-1.007276
"906434"	221.154724	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-H"	-1.007276
"52060"	460.343271	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M-2H+NH4"	16.019271
"495632"	682.505271	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M-2H+NH4"	16.019271
"874893"	238.181271	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-2H+NH4"	16.019271
"41702"	465.298666	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M-2H+Na"	20.974666
"482357"	687.460666	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M-2H+Na"	20.974666
"859065"	243.136666	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-2H+Na"	20.974666
"1619726"	243.136666	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Na-2H"	20.974666
"98563"	239.143063	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M-H+Cl"	33.962126
"543593"	350.224063	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M-H+Cl"	33.962126
"931642"	128.062063	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-H+Cl"	33.962126
"278946"	479.293402	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+Cl"	34.969402
"665901"	701.455402	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+Cl"	34.969402
"1278302"	257.131402	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Cl"	34.969402
"20857"	481.272606	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M-2H+K"	36.948606
"461509"	703.434606	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M-2H+K"	36.948606
"841497"	259.110606	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-2H+K"	36.948606
"1566086"	259.110606	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+K-2H"	36.948606
"950693"	267.160194	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-H+HCOOH"	44.998194
"366720"	489.322201	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+HCOOH-H"	44.998201
"354979"	503.337851	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+Hac-H"	59.013851
"1502716"	281.175851	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Hac-H"	59.013851
"968071"	289.142151	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-H+NaCOOH"	66.980151
"116980"	257.131402	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+2Cl"	69.938804
"555447"	368.212402	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+2Cl"	69.938804
"1022182"	146.050402	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2Cl"	69.938804
"1243824"	301.080885	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Br"	78.918885
"1305662"	303.136872	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Cl+HCOOH"	80.974872
"1327044"	325.118829	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Cl+NaCOOH"	102.956829
"915191"	335.147586	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M-H+CF3COOH"	112.985586
"1291538"	371.124264	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Cl+CF3COOH"	148.962264
"1372979"	187.149324	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H-2H2O"	-35.012676
"1389380"	205.1593	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H-H2O"	-17.0027
"290160"	445.331276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+H"	1.007276
"681491"	667.493276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+H"	1.007276
"1360027"	223.169276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H"	1.007276
"131823"	223.169276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+2H"	2.014552
"573570"	334.250276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+2H"	2.014552
"1038362"	112.088276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2H"	2.014552
"207355"	149.115276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+3H"	3.021828
"644251"	223.169276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+3H"	3.021828
"1163011"	75.061276	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+3H"	3.021828
"424542"	462.357823	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+NH4"	18.033823
"786150"	684.519823	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+NH4"	18.033823
"1681622"	240.195823	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+NH4"	18.033823
"330642"	231.6825495	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+H+NH4"	19.041099
"736918"	342.7635495	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+H+NH4"	19.041099
"1488551"	120.6015495	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H+NH4"	19.041099
"408082"	467.313218	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+Na"	22.989218
"764947"	689.475218	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+Na"	22.989218
"1615235"	245.151218	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Na"	22.989218
"326000"	234.160247	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+H+Na"	23.996494
"722432"	345.241247	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+H+Na"	23.996494
"1468232"	123.079247	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H+Na"	23.996494
"1065487"	82.38859	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2H+Na"	25.00377
"1264249"	255.195486	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+CH3OH+H"	33.033486
"382827"	483.287158	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+K"	38.963158
"750383"	705.449158	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+K"	38.963158
"1552436"	261.125158	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+K"	38.963158
"312892"	242.147217	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+H+K"	39.970434
"702035"	353.228217	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+H+K"	39.970434
"1458039"	131.066217	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H+K"	39.970434
"238991"	486.357826	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+ACN+H"	42.033826
"1211699"	264.195826	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+ACN+H"	42.033826
"1195329"	132.601551	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+ACN+2H"	43.041102
"189419"	489.29516	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+2Na-H"	44.97116
"629467"	711.45716	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+2Na-H"	44.97116
"1132730"	267.13316	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2Na-H"	44.97116
"173467"	245.151218	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+2Na"	45.978436
"617650"	356.232218	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+2Na"	45.978436
"1117875"	134.070218	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2Na"	45.978436
"1406870"	89.715904	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H+2Na"	46.985712
"1440080"	269.174746	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H+HCOOH"	47.012746
"226495"	250.18424	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+3H2O+2H"	56.04448
"1523073"	283.22679	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+IsoProp+H"	61.06479
"420443"	253.138188	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+Na+K"	61.952376
"781443"	364.219188	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+Na+K"	61.952376
"1678871"	142.057188	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Na+K"	61.952376
"263566"	508.339768	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+ACN+Na"	64.015768
"1237370"	286.177768	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+ACN+Na"	64.015768
"1717872"	286.201293	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+NH4+HCOOH"	64.039293
"1186141"	97.043218	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+3Na"	68.967654
"1653119"	291.156688	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Na+HCOOH"	68.994688
"160709"	521.24304	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+2K-H"	76.91904
"601361"	743.40504	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+2K-H"	76.91904
"1088059"	299.08104	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2K-H"	76.91904
"142810"	261.125158	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"2M+2K"	77.926316
"582984"	372.206158	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"3M+2K"	77.926316
"1074424"	150.044158	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2K"	77.926316
"1106540"	301.095592	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2K+H"	78.933592
"1345114"	301.183207	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+DMSO+H"	79.021207
"1011457"	305.222376	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2ACN+H"	83.060376
"1535781"	306.216008	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+IsoProp+Na+H"	84.054008
"992020"	153.114826	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+2ACN+2H"	84.067652
"1599283"	307.130628	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+K+HCOOH"	84.968628
"1418382"	337.162138	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+H+CF3COOH"	115.000138
"1158512"	173.628101	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+3ACN+2H"	125.094202
"1705877"	354.188685	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+NH4+CF3COOH"	132.026685
"1643713"	359.14408	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+Na+CF3COOH"	136.98208
"1572074"	375.11802	"C16977"	"Isokobusone"	"C14H22O2"	"222.162"	"M+K+CF3COOH"	152.95602
"813015"	418.1264	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M"	0
"989703"	399.10801	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-H2O-H"	-19.01839
"78075"	277.743657333333	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M-3H"	-3.021828
"518000"	417.119124	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M-3H"	-3.021828
"889968"	138.368190666667	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-3H"	-3.021828
"9636"	417.119124	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M-2H"	-2.014552
"450290"	626.182324	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M-2H"	-2.014552
"824813"	208.055924	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-2H"	-2.014552
"90273"	835.245524	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M-H"	-1.007276
"531294"	1253.371924	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M-H"	-1.007276
"907637"	417.119124	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-H"	-1.007276
"55448"	852.272071	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M-2H+NH4"	16.019271
"498657"	1270.398471	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M-2H+NH4"	16.019271
"876825"	434.145671	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-2H+NH4"	16.019271
"44728"	857.227466	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M-2H+Na"	20.974666
"484653"	1275.353866	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M-2H+Na"	20.974666
"862456"	439.101066	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-2H+Na"	20.974666
"1625428"	439.101066	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Na-2H"	20.974666
"99770"	435.107463	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M-H+Cl"	33.962126
"545892"	644.170663	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M-H+Cl"	33.962126
"935032"	226.044263	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-H+Cl"	33.962126
"279056"	871.222202	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+Cl"	34.969402
"673665"	1289.348602	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+Cl"	34.969402
"1283881"	453.095802	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Cl"	34.969402
"24248"	873.201406	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M-2H+K"	36.948606
"462712"	1291.327806	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M-2H+K"	36.948606
"844895"	455.075006	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-2H+K"	36.948606
"1566199"	455.075006	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+K-2H"	36.948606
"954083"	463.124594	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-H+HCOOH"	44.998194
"372302"	881.251001	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+HCOOH-H"	44.998201
"357276"	895.266651	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+Hac-H"	59.013851
"1504287"	477.140251	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Hac-H"	59.013851
"968184"	485.106551	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-H+NaCOOH"	66.980151
"117092"	453.095802	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+2Cl"	69.938804
"555558"	662.159002	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+2Cl"	69.938804
"1024358"	244.032602	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2Cl"	69.938804
"1245029"	497.045285	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Br"	78.918885
"1308570"	499.101272	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Cl+HCOOH"	80.974872
"1323512"	521.083229	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Cl+NaCOOH"	102.956829
"916033"	531.111986	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M-H+CF3COOH"	112.985586
"1293835"	567.088664	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Cl+CF3COOH"	148.962264
"1376369"	383.113724	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H-2H2O"	-35.012676
"1392770"	401.1237	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H-H2O"	-17.0027
"288086"	837.260076	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+H"	1.007276
"683788"	1255.386476	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+H"	1.007276
"1353577"	419.133676	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H"	1.007276
"136307"	419.133676	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+2H"	2.014552
"570404"	628.196876	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+2H"	2.014552
"1038226"	210.070476	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2H"	2.014552
"204910"	279.758209333333	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+3H"	3.021828
"644592"	419.133676	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+3H"	3.021828
"1162917"	140.382742666667	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+3H"	3.021828
"424404"	854.286623	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+NH4"	18.033823
"785975"	1272.413023	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+NH4"	18.033823
"1693045"	436.160223	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+NH4"	18.033823
"344611"	427.6469495	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+H+NH4"	19.041099
"735935"	636.7101495	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+H+NH4"	19.041099
"1491941"	218.5837495	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H+NH4"	19.041099
"404061"	859.242018	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+Na"	22.989218
"762871"	1277.368418	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+Na"	22.989218
"1616438"	441.115618	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Na"	22.989218
"326474"	430.124647	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+H+Na"	23.996494
"719988"	639.187847	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+H+Na"	23.996494
"1473809"	221.061447	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H+Na"	23.996494
"1064865"	147.710056666667	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2H+Na"	25.00377
"1271651"	451.159886	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+CH3OH+H"	33.033486
"388401"	875.215958	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+K"	38.963158
"751584"	1293.342358	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+K"	38.963158
"1548173"	457.089558	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+K"	38.963158
"306440"	438.111617	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+H+K"	39.970434
"702141"	647.174817	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+H+K"	39.970434
"1450495"	229.048417	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H+K"	39.970434
"236909"	878.286626	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+ACN+H"	42.033826
"1210588"	460.160226	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+ACN+H"	42.033826
"1194717"	230.583751	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+ACN+2H"	43.041102
"189046"	881.22396	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+2Na-H"	44.97116
"629457"	1299.35036	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+2Na-H"	44.97116
"1131345"	463.09756	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2Na-H"	44.97116
"174674"	441.115618	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+2Na"	45.978436
"613135"	650.178818	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+2Na"	45.978436
"1117985"	232.052418	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2Na"	45.978436
"1401874"	155.037370666667	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H+2Na"	46.985712
"1433629"	465.139146	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H+HCOOH"	47.012746
"232074"	446.14864	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+3H2O+2H"	56.04448
"1522330"	479.19119	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+IsoProp+H"	61.06479
"424168"	449.102588	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+Na+K"	61.952376
"781554"	658.165788	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+Na+K"	61.952376
"1680073"	240.039388	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Na+K"	61.952376
"266551"	900.268568	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+ACN+Na"	64.015768
"1235290"	482.142168	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+ACN+Na"	64.015768
"1720897"	482.165693	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+NH4+HCOOH"	64.039293
"1192811"	162.364684666667	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+3Na"	68.967654
"1658329"	487.121088	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Na+HCOOH"	68.994688
"160819"	913.17184	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+2K-H"	76.91904
"601472"	1331.29824	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+2K-H"	76.91904
"1087074"	495.04544	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2K-H"	76.91904
"142802"	457.089558	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"2M+2K"	77.926316
"583818"	666.152758	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"3M+2K"	77.926316
"1069420"	248.026358	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2K"	77.926316
"1106650"	497.059992	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2K+H"	78.933592
"1339754"	497.147607	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+DMSO+H"	79.021207
"1015577"	501.186776	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2ACN+H"	83.060376
"1536620"	502.180408	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+IsoProp+Na+H"	84.054008
"1001611"	251.097026	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+2ACN+2H"	84.067652
"1599029"	503.095028	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+K+HCOOH"	84.968628
"1426148"	533.126538	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+H+CF3COOH"	115.000138
"1161174"	271.610301	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+3ACN+2H"	125.094202
"1710362"	550.153085	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+NH4+CF3COOH"	132.026685
"1646009"	555.10848	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+Na+CF3COOH"	136.98208
"1572912"	571.08242	"C16978"	"Isoliquiritin"	"C21H22O9"	"418.1264"	"M+K+CF3COOH"	152.95602
"812032"	422.0849	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M"	0
"989822"	403.06651	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-H2O-H"	-19.01839
"78467"	280.382657333333	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M-3H"	-3.021828
"517380"	421.077624	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M-3H"	-3.021828
"890079"	139.687690666667	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-3H"	-3.021828
"10840"	421.077624	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M-2H"	-2.014552
"452223"	632.120074	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M-2H"	-2.014552
"828203"	210.035174	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-2H"	-2.014552
"91841"	843.162524	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M-H"	-1.007276
"533352"	1265.247424	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M-H"	-1.007276
"908476"	421.077624	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-H"	-1.007276
"55558"	860.189071	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M-2H+NH4"	16.019271
"499496"	1282.273971	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M-2H+NH4"	16.019271
"878029"	438.104171	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-2H+NH4"	16.019271
"45931"	865.144466	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M-2H+Na"	20.974666
"486345"	1287.229366	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M-2H+Na"	20.974666
"862566"	443.059566	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-2H+Na"	20.974666
"1627725"	443.059566	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Na-2H"	20.974666
"99881"	439.065963	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M-H+Cl"	33.962126
"544909"	650.108413	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M-H+Cl"	33.962126
"939516"	228.023513	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-H+Cl"	33.962126
"275886"	879.139202	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+Cl"	34.969402
"673775"	1301.224102	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+Cl"	34.969402
"1283991"	457.054302	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Cl"	34.969402
"24359"	881.118406	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M-2H+K"	36.948606
"461730"	1303.203306	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M-2H+K"	36.948606
"838444"	459.033506	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-2H+K"	36.948606
"1565214"	459.033506	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+K-2H"	36.948606
"950913"	467.083094	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-H+HCOOH"	44.998194
"369130"	889.168001	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+HCOOH-H"	44.998201
"355200"	903.183651	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+Hac-H"	59.013851
"1502938"	481.098751	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Hac-H"	59.013851
"967201"	489.065051	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-H+NaCOOH"	66.980151
"117202"	457.054302	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+2Cl"	69.938804
"556761"	668.096752	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+2Cl"	69.938804
"1024468"	246.011852	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2Cl"	69.938804
"1242952"	501.003785	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Br"	78.918885
"1304221"	503.059772	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Cl+HCOOH"	80.974872
"1325082"	525.041729	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Cl+NaCOOH"	102.956829
"913224"	535.070486	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M-H+CF3COOH"	112.985586
"1290663"	571.047164	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Cl+CF3COOH"	148.962264
"1369189"	387.072224	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H-2H2O"	-35.012676
"1387413"	405.0822	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H-H2O"	-17.0027
"283454"	845.177076	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+H"	1.007276
"677699"	1267.261976	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+H"	1.007276
"1351982"	423.092176	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H"	1.007276
"135324"	423.092176	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+2H"	2.014552
"569783"	634.134626	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+2H"	2.014552
"1037364"	212.049726	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2H"	2.014552
"204656"	282.397209333333	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+3H"	3.021828
"644406"	423.092176	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+3H"	3.021828
"1162881"	141.702242666667	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+3H"	3.021828
"424525"	862.203623	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+NH4"	18.033823
"785669"	1284.288523	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+NH4"	18.033823
"1690969"	440.118723	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+NH4"	18.033823
"344719"	431.6054495	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+H+NH4"	19.041099
"736045"	642.6478995	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+H+NH4"	19.041099
"1489864"	220.5629995	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H+NH4"	19.041099
"400891"	867.159018	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+Na"	22.989218
"762981"	1289.243918	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+Na"	22.989218
"1615455"	445.074118	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Na"	22.989218
"327678"	434.083147	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+H+Na"	23.996494
"720950"	645.125597	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+H+Na"	23.996494
"1472826"	223.040697	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H+Na"	23.996494
"1061695"	149.029556666667	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2H+Na"	25.00377
"1270303"	455.118386	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+CH3OH+H"	33.033486
"388512"	883.132958	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+K"	38.963158
"750602"	1305.217858	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+K"	38.963158
"1551198"	461.048058	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+K"	38.963158
"305456"	442.070117	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+H+K"	39.970434
"702252"	653.112567	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+H+K"	39.970434
"1452792"	231.027667	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H+K"	39.970434
"237748"	886.203626	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+ACN+H"	42.033826
"1212279"	464.118726	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+ACN+H"	42.033826
"1194339"	232.563001	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+ACN+2H"	43.041102
"191222"	889.14096	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+2Na-H"	44.97116
"631513"	1311.22586	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+2Na-H"	44.97116
"1131735"	467.05606	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2Na-H"	44.97116
"172845"	445.074118	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+2Na"	45.978436
"612882"	656.116568	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+2Na"	45.978436
"1115626"	234.031668	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2Na"	45.978436
"1405266"	156.356870666667	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H+2Na"	46.985712
"1439206"	469.097646	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H+HCOOH"	47.012746
"231091"	450.10714	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+3H2O+2H"	56.04448
"1523817"	483.14969	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+IsoProp+H"	61.06479
"423998"	453.061088	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+Na+K"	61.952376
"782757"	664.103538	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+Na+K"	61.952376
"1677995"	242.018638	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Na+K"	61.952376
"266967"	908.185568	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+ACN+Na"	64.015768
"1235400"	486.100668	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+ACN+Na"	64.015768
"1721007"	486.124193	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+NH4+HCOOH"	64.039293
"1189641"	163.684184666667	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+3Na"	68.967654
"1659533"	491.079588	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Na+HCOOH"	68.994688
"160929"	921.08884	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+2K-H"	76.91904
"602674"	1343.17374	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+2K-H"	76.91904
"1089735"	499.00394	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2K-H"	76.91904
"146192"	461.048058	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"2M+2K"	77.926316
"585021"	672.090508	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"3M+2K"	77.926316
"1069535"	250.005608	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2K"	77.926316
"1106760"	501.018492	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2K+H"	78.933592
"1340957"	501.106107	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+DMSO+H"	79.021207
"1016051"	505.145276	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2ACN+H"	83.060376
"1533084"	506.138908	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+IsoProp+Na+H"	84.054008
"1002814"	253.076276	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+2ACN+2H"	84.067652
"1594036"	507.053528	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+K+HCOOH"	84.968628
"1424070"	537.085038	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+H+CF3COOH"	115.000138
"1160920"	273.589551	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+3ACN+2H"	125.094202
"1710469"	554.111585	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+NH4+CF3COOH"	132.026685
"1646119"	559.06698	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+Na+CF3COOH"	136.98208
"1573023"	575.04092	"C16979"	"Isomangiferin"	"C19H18O11"	"422.0849"	"M+K+CF3COOH"	152.95602
"808860"	384.2049	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M"	0
"988112"	365.18651	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H2O-H"	-19.01839
"77322"	255.129324	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-3H"	-3.021828
"517736"	383.197624	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-3H"	-3.021828
"892376"	127.061024	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-3H"	-3.021828
"12773"	383.197624	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H"	-2.014552
"451606"	575.300074	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H"	-2.014552
"829409"	191.095174	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H"	-2.014552
"92681"	767.402524	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-H"	-1.007276
"533462"	1151.607424	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-H"	-1.007276
"907858"	383.197624	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H"	-1.007276
"57855"	784.429071	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H+NH4"	16.019271
"498512"	1168.633971	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H+NH4"	16.019271
"878866"	400.224171	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H+NH4"	16.019271
"45677"	789.384466	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H+Na"	20.974666
"485966"	1173.589366	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H+Na"	20.974666
"861581"	405.179566	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H+Na"	20.974666
"1627836"	405.179566	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na-2H"	20.974666
"106187"	401.185963	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-H+Cl"	33.962126
"541739"	593.288413	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-H+Cl"	33.962126
"936346"	209.083513	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+Cl"	33.962126
"279275"	803.379202	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Cl"	34.969402
"669509"	1187.584102	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+Cl"	34.969402
"1281914"	419.174302	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl"	34.969402
"21189"	805.358406	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M-2H+K"	36.948606
"461109"	1189.563306	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M-2H+K"	36.948606
"838554"	421.153506	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-2H+K"	36.948606
"1558763"	421.153506	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K-2H"	36.948606
"953209"	429.203094	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+HCOOH"	44.998194
"369240"	813.408001	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+HCOOH-H"	44.998201
"355310"	827.423651	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Hac-H"	59.013851
"1503777"	443.218751	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Hac-H"	59.013851
"966218"	451.185051	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+NaCOOH"	66.980151
"117311"	419.174302	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2Cl"	69.938804
"555777"	611.276752	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2Cl"	69.938804
"1024578"	227.071852	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2Cl"	69.938804
"1243062"	463.123785	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Br"	78.918885
"1305144"	465.179772	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl+HCOOH"	80.974872
"1325192"	487.161729	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl+NaCOOH"	102.956829
"912972"	497.190486	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M-H+CF3COOH"	112.985586
"1291866"	533.167164	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Cl+CF3COOH"	148.962264
"1370028"	349.192224	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H-2H2O"	-35.012676
"1390803"	367.2022	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H-H2O"	-17.0027
"284656"	769.417076	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H"	1.007276
"679634"	1153.621976	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H"	1.007276
"1359264"	385.212176	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H"	1.007276
"134340"	385.212176	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2H"	2.014552
"567341"	577.314626	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2H"	2.014552
"1037104"	193.109726	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2H"	2.014552
"204284"	257.143876	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+3H"	3.021828
"644247"	385.212176	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+3H"	3.021828
"1164280"	129.075576	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+3H"	3.021828
"424387"	786.443623	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+NH4"	18.033823
"786108"	1170.648523	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+NH4"	18.033823
"1684152"	402.238723	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+NH4"	18.033823
"344709"	393.7254495	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H+NH4"	19.041099
"735062"	585.8278995	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H+NH4"	19.041099
"1491069"	201.6229995	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+NH4"	19.041099
"398814"	791.399018	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Na"	22.989218
"763091"	1175.603918	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+Na"	22.989218
"1615566"	407.194118	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na"	22.989218
"325601"	396.203147	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H+Na"	23.996494
"715833"	588.305597	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H+Na"	23.996494
"1472934"	204.100697	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+Na"	23.996494
"1061805"	136.40289	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2H+Na"	25.00377
"1270780"	417.238386	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+CH3OH+H"	33.033486
"388986"	807.372958	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+K"	38.963158
"750712"	1191.577858	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+K"	38.963158
"1550578"	423.168058	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K"	38.963158
"306661"	404.190117	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+H+K"	39.970434
"701270"	596.292567	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+H+K"	39.970434
"1452903"	212.087667	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+K"	39.970434
"237130"	810.443626	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+ACN+H"	42.033826
"1210446"	426.238726	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+ACN+H"	42.033826
"1197733"	213.623001	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+ACN+2H"	43.041102
"188900"	813.38096	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2Na-H"	44.97116
"629313"	1197.58586	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2Na-H"	44.97116
"1131515"	429.17606	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2Na-H"	44.97116
"173219"	407.194118	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2Na"	45.978436
"613028"	599.296568	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2Na"	45.978436
"1116255"	215.091668	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2Na"	45.978436
"1400267"	143.730204	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+2Na"	46.985712
"1431292"	431.217646	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+HCOOH"	47.012746
"221353"	412.22714	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+3H2O+2H"	56.04448
"1522547"	445.26969	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+IsoProp+H"	61.06479
"423333"	415.181088	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+Na+K"	61.952376
"782868"	607.283538	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+Na+K"	61.952376
"1677376"	223.078638	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na+K"	61.952376
"263895"	832.425568	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+ACN+Na"	64.015768
"1235510"	448.220668	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+ACN+Na"	64.015768
"1726583"	448.244193	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+NH4+HCOOH"	64.039293
"1191938"	151.057518	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+3Na"	68.967654
"1651989"	453.199588	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na+HCOOH"	68.994688
"159217"	845.32884	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2K-H"	76.91904
"599140"	1229.53374	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2K-H"	76.91904
"1086201"	461.12394	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2K-H"	76.91904
"142897"	423.168058	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"2M+2K"	77.926316
"582820"	615.270508	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"3M+2K"	77.926316
"1069405"	231.065608	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2K"	77.926316
"1106870"	463.138492	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2K+H"	78.933592
"1341067"	463.226107	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+DMSO+H"	79.021207
"1015068"	467.265276	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2ACN+H"	83.060376
"1537934"	468.258908	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+IsoProp+Na+H"	84.054008
"999644"	234.136276	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+2ACN+2H"	84.067652
"1596333"	469.173528	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K+HCOOH"	84.968628
"1426367"	499.205038	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+H+CF3COOH"	115.000138
"1160665"	254.649551	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+3ACN+2H"	125.094202
"1710579"	516.231585	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+NH4+CF3COOH"	132.026685
"1649145"	521.18698	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+Na+CF3COOH"	136.98208
"1575320"	537.16092	"C16980"	"Isorhynchophylline"	"C22H28N2O4"	"384.2049"	"M+K+CF3COOH"	152.95602
"808970"	578.1636	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M"	0
"989280"	559.14521	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-H2O-H"	-19.01839
"77838"	384.435124	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M-3H"	-3.021828
"518131"	577.156324	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M-3H"	-3.021828
"894189"	191.713924	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-3H"	-3.021828
"15074"	577.156324	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M-2H"	-2.014552
"455494"	866.238124	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M-2H"	-2.014552
"831463"	288.074524	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-2H"	-2.014552
"93896"	1155.319924	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M-H"	-1.007276
"533817"	1733.483524	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M-H"	-1.007276
"909794"	577.156324	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-H"	-1.007276
"62473"	1172.346471	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M-2H+NH4"	16.019271
"502363"	1750.510071	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M-2H+NH4"	16.019271
"879593"	594.182871	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-2H+NH4"	16.019271
"46522"	1177.301866	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M-2H+Na"	20.974666
"486321"	1755.465466	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M-2H+Na"	20.974666
"863397"	599.138266	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-2H+Na"	20.974666
"1632684"	599.138266	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Na-2H"	20.974666
"107391"	595.144663	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M-H+Cl"	33.962126
"547195"	884.226463	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M-H+Cl"	33.962126
"942049"	306.062863	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-H+Cl"	33.962126
"281333"	1191.296602	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+Cl"	34.969402
"674485"	1769.460202	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+Cl"	34.969402
"1283117"	613.133002	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Cl"	34.969402
"22393"	1193.275806	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M-2H+K"	36.948606
"463047"	1771.439406	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M-2H+K"	36.948606
"836839"	615.112206	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-2H+K"	36.948606
"1559963"	615.112206	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+K-2H"	36.948606
"957330"	623.161794	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-H+HCOOH"	44.998194
"373724"	1201.325401	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+HCOOH-H"	44.998201
"357607"	1215.341051	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+Hac-H"	59.013851
"1506441"	637.177451	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Hac-H"	59.013851
"970701"	645.143751	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-H+NaCOOH"	66.980151
"121795"	613.133002	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+2Cl"	69.938804
"562449"	902.214802	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+2Cl"	69.938804
"1030155"	324.051202	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2Cl"	69.938804
"1250827"	657.082485	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Br"	78.918885
"1307808"	659.138472	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Cl+HCOOH"	80.974872
"1324210"	681.120429	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Cl+NaCOOH"	102.956829
"922923"	691.149186	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M-H+CF3COOH"	112.985586
"1295258"	727.125864	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Cl+CF3COOH"	148.962264
"1376699"	543.150924	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H-2H2O"	-35.012676
"1392006"	561.1609	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H-H2O"	-17.0027
"289511"	1157.334476	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+H"	1.007276
"685212"	1735.498076	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+H"	1.007276
"1360467"	579.170876	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H"	1.007276
"134450"	579.170876	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+2H"	2.014552
"570734"	868.252676	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+2H"	2.014552
"1039529"	290.089076	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2H"	2.014552
"208524"	386.449676	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+3H"	3.021828
"647357"	579.170876	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+3H"	3.021828
"1165482"	193.728476	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+3H"	3.021828
"426567"	1174.361023	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+NH4"	18.033823
"787197"	1752.524623	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+NH4"	18.033823
"1684262"	596.197423	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+NH4"	18.033823
"343846"	587.6841495	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+H+NH4"	19.041099
"737119"	876.7659495	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+H+NH4"	19.041099
"1492158"	298.6023495	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H+NH4"	19.041099
"403299"	1179.316418	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+Na"	22.989218
"765390"	1757.480018	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+Na"	22.989218
"1614947"	601.152818	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Na"	22.989218
"327171"	590.161847	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+H+Na"	23.996494
"719224"	879.243647	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+H+Na"	23.996494
"1473044"	301.080047	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H+Na"	23.996494
"1064105"	201.05579	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2H+Na"	25.00377
"1270522"	611.197086	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+CH3OH+H"	33.033486
"390919"	1195.290358	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+K"	38.963158
"750825"	1773.453958	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+K"	38.963158
"1552513"	617.126758	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+K"	38.963158
"307864"	598.148817	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+H+K"	39.970434
"703933"	887.230617	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+H+K"	39.970434
"1455201"	309.067017	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H+K"	39.970434
"244897"	1198.361026	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+ACN+H"	42.033826
"1219793"	620.197426	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+ACN+H"	42.033826
"1198936"	310.602351	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+ACN+2H"	43.041102
"193630"	1201.29836	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+2Na-H"	44.97116
"633920"	1779.46196	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+2Na-H"	44.97116
"1137788"	623.13476	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2Na-H"	44.97116
"175246"	601.152818	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+2Na"	45.978436
"613713"	890.234618	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+2Na"	45.978436
"1118312"	312.071018	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2Na"	45.978436
"1403659"	208.383104	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H+2Na"	46.985712
"1430506"	625.176346	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H+HCOOH"	47.012746
"220245"	606.18584	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+3H2O+2H"	56.04448
"1522293"	639.22839	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+IsoProp+H"	61.06479
"421988"	609.139788	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+Na+K"	61.952376
"783345"	898.221588	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+Na+K"	61.952376
"1674206"	320.057988	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Na+K"	61.952376
"262548"	1220.342968	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+ACN+Na"	64.015768
"1238537"	642.179368	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+ACN+Na"	64.015768
"1722689"	642.202893	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+NH4+HCOOH"	64.039293
"1189502"	215.710418	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+3Na"	68.967654
"1656473"	647.158288	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Na+HCOOH"	68.994688
"161148"	1233.24624	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+2K-H"	76.91904
"599981"	1811.40984	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+2K-H"	76.91904
"1088134"	655.08264	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2K-H"	76.91904
"143492"	617.126758	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"2M+2K"	77.926316
"584148"	906.208558	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"3M+2K"	77.926316
"1069148"	328.044958	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2K"	77.926316
"1105886"	657.097192	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2K+H"	78.933592
"1338990"	657.184807	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+DMSO+H"	79.021207
"1013720"	661.223976	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2ACN+H"	83.060376
"1530025"	662.217608	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+IsoProp+Na+H"	84.054008
"993192"	331.115626	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+2ACN+2H"	84.067652
"1594256"	663.132228	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+K+HCOOH"	84.968628
"1419915"	693.163738	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+H+CF3COOH"	115.000138
"1157859"	351.628901	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+3ACN+2H"	125.094202
"1706316"	710.190285	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+NH4+CF3COOH"	132.026685
"1644153"	715.14568	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+Na+CF3COOH"	136.98208
"1573243"	731.11962	"C16981"	"Kaempferitrin;Kaempferol-dirhamnoside;Lespenefril"	"C27H30O14"	"578.1636"	"M+K+CF3COOH"	152.95602
"813457"	194.0579	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M"	0
"979335"	175.03951	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-H2O-H"	-19.01839
"78234"	128.364657333333	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M-3H"	-3.021828
"509324"	193.050624	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M-3H"	-3.021828
"892594"	63.6786906666667	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-3H"	-3.021828
"11172"	193.050624	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M-2H"	-2.014552
"454872"	290.079574	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M-2H"	-2.014552
"832059"	96.021674	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-2H"	-2.014552
"93390"	387.108524	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M-H"	-1.007276
"533561"	581.166424	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M-H"	-1.007276
"910154"	193.050624	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-H"	-1.007276
"62345"	404.135071	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M-2H+NH4"	16.019271
"502474"	598.192971	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M-2H+NH4"	16.019271
"878490"	210.077171	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-2H+NH4"	16.019271
"45535"	409.090466	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M-2H+Na"	20.974666
"485462"	603.148366	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M-2H+Na"	20.974666
"862780"	215.032566	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-2H+Na"	20.974666
"1632796"	215.032566	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Na-2H"	20.974666
"108112"	211.038963	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M-H+Cl"	33.962126
"548033"	308.067913	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M-H+Cl"	33.962126
"941427"	114.010013	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-H+Cl"	33.962126
"281571"	423.085202	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+Cl"	34.969402
"674596"	617.143102	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+Cl"	34.969402
"1279947"	229.027302	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Cl"	34.969402
"22500"	425.064406	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M-2H+K"	36.948606
"463153"	619.122306	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M-2H+K"	36.948606
"839860"	231.006506	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-2H+K"	36.948606
"1558980"	231.006506	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+K-2H"	36.948606
"956349"	239.056094	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-H+HCOOH"	44.998194
"373471"	433.114001	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+HCOOH-H"	44.998201
"356623"	447.129651	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+Hac-H"	59.013851
"1499991"	253.071751	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Hac-H"	59.013851
"968622"	261.038051	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-H+NaCOOH"	66.980151
"117530"	229.027302	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+2Cl"	69.938804
"561831"	326.056252	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+2Cl"	69.938804
"1030265"	131.998352	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2Cl"	69.938804
"1250937"	272.976785	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Br"	78.918885
"1307916"	275.032772	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Cl+HCOOH"	80.974872
"1322861"	297.014729	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Cl+NaCOOH"	102.956829
"923034"	307.043486	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M-H+CF3COOH"	112.985586
"1294275"	343.020164	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Cl+CF3COOH"	148.962264
"1372070"	159.045224	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H-2H2O"	-35.012676
"1386651"	177.0552	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H-H2O"	-17.0027
"290713"	389.123076	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+H"	1.007276
"686415"	583.180976	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+H"	1.007276
"1354382"	195.065176	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H"	1.007276
"136751"	195.065176	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+2H"	2.014552
"570844"	292.094126	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+2H"	2.014552
"1039274"	98.036226	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2H"	2.014552
"205351"	130.379209333333	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+3H"	3.021828
"645640"	195.065176	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+3H"	3.021828
"1163523"	65.6932426666667	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+3H"	3.021828
"424973"	406.149623	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+NH4"	18.033823
"787428"	600.207523	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+NH4"	18.033823
"1696615"	212.091723	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+NH4"	18.033823
"343594"	203.5784495	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+H+NH4"	19.041099
"734192"	300.6073995	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+H+NH4"	19.041099
"1486918"	106.5494995	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H+NH4"	19.041099
"403410"	411.105018	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+Na"	22.989218
"762217"	605.162918	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+Na"	22.989218
"1611409"	217.047118	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Na"	22.989218
"325820"	206.056147	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+H+Na"	23.996494
"718240"	303.085097	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+H+Na"	23.996494
"1470968"	109.027197	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H+Na"	23.996494
"1064213"	73.0205566666667	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2H+Na"	25.00377
"1271728"	227.091386	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+CH3OH+H"	33.033486
"387385"	427.078958	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+K"	38.963158
"750567"	621.136858	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+K"	38.963158
"1552988"	233.021058	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+K"	38.963158
"307976"	214.043117	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+H+K"	39.970434
"702583"	311.072067	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+H+K"	39.970434
"1457497"	117.014167	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H+K"	39.970434
"245005"	430.149626	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+ACN+H"	42.033826
"1219903"	236.091726	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+ACN+H"	42.033826
"1201600"	118.549501	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+ACN+2H"	43.041102
"195198"	433.08696	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+2Na-H"	44.97116
"635851"	627.14486	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+2Na-H"	44.97116
"1137899"	239.02906	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2Na-H"	44.97116
"175721"	217.047118	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+2Na"	45.978436
"617832"	314.076068	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+2Na"	45.978436
"1117813"	120.018168	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2Na"	45.978436
"1399514"	80.3478706666667	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H+2Na"	46.985712
"1431513"	241.070646	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H+HCOOH"	47.012746
"228139"	222.08014	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+3H2O+2H"	56.04448
"1523497"	255.12269	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+IsoProp+H"	61.06479
"423188"	225.034088	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+Na+K"	61.952376
"783459"	322.063038	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+Na+K"	61.952376
"1679788"	128.005138	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Na+K"	61.952376
"261566"	452.131568	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+ACN+Na"	64.015768
"1237922"	258.073668	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+ACN+Na"	64.015768
"1722436"	258.097193	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+NH4+HCOOH"	64.039293
"1190704"	87.6751846666667	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+3Na"	68.967654
"1662054"	263.052588	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Na+HCOOH"	68.994688
"168184"	465.03484	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+2K-H"	76.91904
"601181"	659.09274	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+2K-H"	76.91904
"1088607"	270.97694	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2K-H"	76.91904
"143241"	233.021058	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"2M+2K"	77.926316
"583898"	330.050008	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"3M+2K"	77.926316
"1070599"	135.992108	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2K"	77.926316
"1104904"	272.991492	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2K+H"	78.933592
"1337524"	273.079107	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+DMSO+H"	79.021207
"1010913"	277.118276	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2ACN+H"	83.060376
"1529040"	278.111908	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+IsoProp+Na+H"	84.054008
"991234"	139.062776	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+2ACN+2H"	84.067652
"1597646"	279.026528	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+K+HCOOH"	84.968628
"1424400"	309.058038	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+H+CF3COOH"	115.000138
"1152501"	159.576051	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+3ACN+2H"	125.094202
"1703146"	326.084585	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+NH4+CF3COOH"	132.026685
"1637702"	331.03998	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+Na+CF3COOH"	136.98208
"1573353"	347.01392	"C16982"	"Kakuol;Kakoul"	"C10H10O4"	"194.0579"	"M+K+CF3COOH"	152.95602
"817071"	222.162	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M"	0
"982725"	203.14361	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-H2O-H"	-19.01839
"77165"	147.100724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M-3H"	-3.021828
"518066"	221.154724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M-3H"	-3.021828
"893435"	73.046724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-3H"	-3.021828
"13836"	221.154724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M-2H"	-2.014552
"453761"	332.235724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M-2H"	-2.014552
"831563"	110.073724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-2H"	-2.014552
"91918"	443.316724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M-H"	-1.007276
"528198"	665.478724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M-H"	-1.007276
"908186"	221.154724	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-H"	-1.007276
"58188"	460.343271	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M-2H+NH4"	16.019271
"498478"	682.505271	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M-2H+NH4"	16.019271
"878955"	238.181271	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-2H+NH4"	16.019271
"46744"	465.298666	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M-2H+Na"	20.974666
"486827"	687.460666	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M-2H+Na"	20.974666
"863661"	243.136666	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-2H+Na"	20.974666
"1633595"	243.136666	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Na-2H"	20.974666
"108703"	239.143063	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M-H+Cl"	33.962126
"547900"	350.224063	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M-H+Cl"	33.962126
"939592"	128.062063	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-H+Cl"	33.962126
"281307"	479.293402	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+Cl"	34.969402
"668744"	701.455402	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+Cl"	34.969402
"1277867"	257.131402	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Cl"	34.969402
"22606"	481.272606	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M-2H+K"	36.948606
"463260"	703.434606	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M-2H+K"	36.948606
"834870"	259.110606	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-2H+K"	36.948606
"1559452"	259.110606	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+K-2H"	36.948606
"956461"	267.160194	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-H+HCOOH"	44.998194
"376131"	489.322201	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+HCOOH-H"	44.998201
"356731"	503.337851	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+Hac-H"	59.013851
"1504476"	281.175851	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Hac-H"	59.013851
"968735"	289.142151	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-H+NaCOOH"	66.980151
"120921"	257.131402	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+2Cl"	69.938804
"555014"	368.212402	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+2Cl"	69.938804
"1023814"	146.050402	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2Cl"	69.938804
"1251045"	301.080885	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Br"	78.918885
"1308024"	303.136872	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Cl+HCOOH"	80.974872
"1323334"	325.118829	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Cl+NaCOOH"	102.956829
"914030"	335.147586	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M-H+CF3COOH"	112.985586
"1290372"	371.124264	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Cl+CF3COOH"	148.962264
"1368898"	187.149324	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H-2H2O"	-35.012676
"1387851"	205.1593	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H-H2O"	-17.0027
"289731"	445.331276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+H"	1.007276
"681059"	667.493276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+H"	1.007276
"1353030"	223.169276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H"	1.007276
"135766"	223.169276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+2H"	2.014552
"570586"	334.250276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+2H"	2.014552
"1038291"	112.088276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2H"	2.014552
"206919"	149.115276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+3H"	3.021828
"646480"	223.169276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+3H"	3.021828
"1162903"	75.061276	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+3H"	3.021828
"424363"	462.357823	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+NH4"	18.033823
"785957"	684.519823	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+NH4"	18.033823
"1696957"	240.195823	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+NH4"	18.033823
"345616"	231.6825495	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+H+NH4"	19.041099
"734302"	342.7635495	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+H+NH4"	19.041099
"1490310"	120.6015495	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H+NH4"	19.041099
"401335"	467.313218	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+Na"	22.989218
"764518"	689.475218	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+Na"	22.989218
"1613711"	245.151218	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Na"	22.989218
"325933"	234.160247	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+H+Na"	23.996494
"720538"	345.241247	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+H+Na"	23.996494
"1474358"	123.079247	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H+Na"	23.996494
"1062139"	82.38859	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2H+Na"	25.00377
"1268191"	255.195486	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+CH3OH+H"	33.033486
"385673"	483.287158	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+K"	38.963158
"749946"	705.449158	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+K"	38.963158
"1554192"	261.125158	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+K"	38.963158
"308085"	242.147217	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+H+K"	39.970434
"700506"	353.228217	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+H+K"	39.970434
"1457607"	131.066217	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H+K"	39.970434
"239286"	486.357826	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+ACN+H"	42.033826
"1215637"	264.195826	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+ACN+H"	42.033826
"1200251"	132.601551	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+ACN+2H"	43.041102
"195675"	489.29516	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+2Na-H"	44.97116
"634140"	711.45716	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+2Na-H"	44.97116
"1139104"	267.13316	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2Na-H"	44.97116
"174249"	245.151218	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+2Na"	45.978436
"612859"	356.232218	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+2Na"	45.978436
"1115735"	134.070218	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2Na"	45.978436
"1404975"	89.715904	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H+2Na"	46.985712
"1431987"	269.174746	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H+HCOOH"	47.012746
"222414"	250.18424	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+3H2O+2H"	56.04448
"1509746"	283.22679	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+IsoProp+H"	61.06479
"412719"	253.138188	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+Na+K"	61.952376
"778089"	364.219188	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+Na+K"	61.952376
"1678805"	142.057188	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Na+K"	61.952376
"262040"	508.339768	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+ACN+Na"	64.015768
"1236934"	286.177768	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+ACN+Na"	64.015768
"1724727"	286.201293	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+NH4+HCOOH"	64.039293
"1191907"	97.043218	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+3Na"	68.967654
"1662161"	291.156688	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Na+HCOOH"	68.994688
"164648"	521.24304	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+2K-H"	76.91904
"601292"	743.40504	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+2K-H"	76.91904
"1088727"	299.08104	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2K-H"	76.91904
"145543"	261.125158	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"2M+2K"	77.926316
"591667"	372.206158	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"3M+2K"	77.926316
"1075084"	150.044158	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2K"	77.926316
"1113401"	301.095592	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2K+H"	78.933592
"1345776"	301.183207	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+DMSO+H"	79.021207
"1017224"	305.222376	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2ACN+H"	83.060376
"1533524"	306.216008	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+IsoProp+Na+H"	84.054008
"997785"	153.114826	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+2ACN+2H"	84.067652
"1599944"	307.130628	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+K+HCOOH"	84.968628
"1427427"	337.162138	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+H+CF3COOH"	115.000138
"1159172"	173.628101	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+3ACN+2H"	125.094202
"1706536"	354.188685	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+NH4+CF3COOH"	132.026685
"1641093"	359.14408	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+Na+CF3COOH"	136.98208
"1578930"	375.11802	"C16983"	"Kobusone"	"C14H22O2"	"222.162"	"M+K+CF3COOH"	152.95602
"812582"	313.1314	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M"	0
"979555"	294.11301	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-H2O-H"	-19.01839
"72171"	207.746990666667	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M-3H"	-3.021828
"517203"	312.124124	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M-3H"	-3.021828
"890629"	103.369857333333	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-3H"	-3.021828
"15324"	312.124124	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M-2H"	-2.014552
"453871"	468.689824	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M-2H"	-2.014552
"830944"	155.558424	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-2H"	-2.014552
"92028"	625.255524	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M-H"	-1.007276
"529401"	938.386924	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M-H"	-1.007276
"906109"	312.124124	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-H"	-1.007276
"58298"	642.282071	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M-2H+NH4"	16.019271
"498952"	955.413471	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M-2H+NH4"	16.019271
"879873"	329.150671	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-2H+NH4"	16.019271
"46484"	647.237466	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M-2H+Na"	20.974666
"487005"	960.368866	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M-2H+Na"	20.974666
"864050"	334.106066	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-2H+Na"	20.974666
"1632650"	334.106066	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Na-2H"	20.974666
"109789"	330.112463	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M-H+Cl"	33.962126
"549102"	486.678163	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M-H+Cl"	33.962126
"938608"	173.546763	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-H+Cl"	33.962126
"277527"	661.232202	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+Cl"	34.969402
"669947"	974.363602	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+Cl"	34.969402
"1276153"	348.100802	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Cl"	34.969402
"18345"	663.211406	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M-2H+K"	36.948606
"461182"	976.342806	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M-2H+K"	36.948606
"834249"	350.080006	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-2H+K"	36.948606
"1559190"	350.080006	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+K-2H"	36.948606
"950366"	358.129594	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-H+HCOOH"	44.998194
"362746"	671.261001	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+HCOOH-H"	44.998201
"355747"	685.276651	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+Hac-H"	59.013851
"1503493"	372.145251	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Hac-H"	59.013851
"969938"	380.111551	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-H+NaCOOH"	66.980151
"122125"	348.100802	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+2Cl"	69.938804
"558404"	504.666502	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+2Cl"	69.938804
"1023924"	191.535102	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2Cl"	69.938804
"1251155"	392.050285	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Br"	78.918885
"1310322"	394.106272	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Cl+HCOOH"	80.974872
"1323445"	416.088229	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Cl+NaCOOH"	102.956829
"914505"	426.116986	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M-H+CF3COOH"	112.985586
"1290482"	462.093664	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Cl+CF3COOH"	148.962264
"1369008"	278.118724	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H-2H2O"	-35.012676
"1386868"	296.1287	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H-H2O"	-17.0027
"286557"	627.270076	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+H"	1.007276
"683354"	940.401476	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+H"	1.007276
"1355329"	314.138676	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H"	1.007276
"133688"	314.138676	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+2H"	2.014552
"573248"	470.704376	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+2H"	2.014552
"1039859"	157.572976	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2H"	2.014552
"207393"	209.761542666667	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+3H"	3.021828
"647318"	314.138676	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+3H"	3.021828
"1162968"	105.384409333333	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+3H"	3.021828
"424303"	644.296623	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+NH4"	18.033823
"785900"	957.428023	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+NH4"	18.033823
"1696991"	331.165223	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+NH4"	18.033823
"344907"	322.6519495	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+H+NH4"	19.041099
"733318"	479.2176495	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+H+NH4"	19.041099
"1489327"	166.0862495	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H+NH4"	19.041099
"402539"	649.252018	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+Na"	22.989218
"763534"	962.383418	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+Na"	22.989218
"1616008"	336.120618	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Na"	22.989218
"327133"	325.129647	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+H+Na"	23.996494
"722228"	481.695347	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+H+Na"	23.996494
"1472281"	168.563947	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H+Na"	23.996494
"1063341"	112.711723333333	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2H+Na"	25.00377
"1268301"	346.164886	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+CH3OH+H"	33.033486
"389062"	665.225958	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+K"	38.963158
"747869"	978.357358	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+K"	38.963158
"1553938"	352.094558	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+K"	38.963158
"309288"	333.116617	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+H+K"	39.970434
"702803"	489.682317	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+H+K"	39.970434
"1457717"	176.550917	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H+K"	39.970434
"238667"	668.296626	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+ACN+H"	42.033826
"1213560"	355.165226	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+ACN+H"	42.033826
"1198175"	178.086251	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+ACN+2H"	43.041102
"195056"	671.23396	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+2Na-H"	44.97116
"631334"	984.36536	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+2Na-H"	44.97116
"1139214"	358.10256	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2Na-H"	44.97116
"173387"	336.120618	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+2Na"	45.978436
"616230"	492.686318	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+2Na"	45.978436
"1115960"	179.554918	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2Na"	45.978436
"1399008"	120.039037333333	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H+2Na"	46.985712
"1432461"	360.144146	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H+HCOOH"	47.012746
"224347"	341.15364	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+3H2O+2H"	56.04448
"1511678"	374.19619	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+IsoProp+H"	61.06479
"412829"	344.107588	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+Na+K"	61.952376
"776013"	500.673288	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+Na+K"	61.952376
"1678912"	187.541888	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Na+K"	61.952376
"263243"	690.278568	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+ACN+Na"	64.015768
"1237045"	377.147168	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+ACN+Na"	64.015768
"1722649"	377.170693	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+NH4+HCOOH"	64.039293
"1190190"	127.366351333333	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+3Na"	68.967654
"1662271"	382.126088	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Na+HCOOH"	68.994688
"163665"	703.18184	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+2K-H"	76.91904
"601403"	1016.31324	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+2K-H"	76.91904
"1085921"	390.05044	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2K-H"	76.91904
"145653"	352.094558	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"2M+2K"	77.926316
"590683"	508.660258	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"3M+2K"	77.926316
"1076288"	195.528858	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2K"	77.926316
"1112781"	392.064992	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2K+H"	78.933592
"1345886"	392.152607	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+DMSO+H"	79.021207
"1018427"	396.191776	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2ACN+H"	83.060376
"1535821"	397.185408	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+IsoProp+Na+H"	84.054008
"1000082"	198.599526	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+2ACN+2H"	84.067652
"1597867"	398.100028	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+K+HCOOH"	84.968628
"1426808"	428.131538	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+H+CF3COOH"	115.000138
"1159282"	219.112801	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+3ACN+2H"	125.094202
"1706646"	445.158085	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+NH4+CF3COOH"	132.026685
"1641203"	450.11348	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+Na+CF3COOH"	136.98208
"1575760"	466.08742	"C16984"	"Laurolitsine"	"C18H19NO4"	"313.1314"	"M+K+CF3COOH"	152.95602
"813785"	311.1481	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M"	0
"982945"	292.12971	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-H2O-H"	-19.01839
"74468"	206.424790666667	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M-3H"	-3.021828
"516585"	310.140824	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M-3H"	-3.021828
"892926"	102.708757333333	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-3H"	-3.021828
"14785"	310.140824	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M-2H"	-2.014552
"455202"	465.714874	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M-2H"	-2.014552
"832604"	154.566774	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-2H"	-2.014552
"93607"	621.288924	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M-H"	-1.007276
"533653"	932.437024	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M-H"	-1.007276
"909988"	310.140824	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-H"	-1.007276
"60474"	638.315471	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M-2H+NH4"	16.019271
"500764"	949.463571	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M-2H+NH4"	16.019271
"879061"	327.167371	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-2H+NH4"	16.019271
"46355"	643.270866	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M-2H+Na"	20.974666
"486276"	954.418966	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M-2H+Na"	20.974666
"862497"	332.122766	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-2H+Na"	20.974666
"1633006"	332.122766	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Na-2H"	20.974666
"108926"	328.129163	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M-H+Cl"	33.962126
"549540"	483.703213	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M-H+Cl"	33.962126
"941148"	172.555113	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-H+Cl"	33.962126
"278731"	657.265602	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+Cl"	34.969402
"667871"	968.413702	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+Cl"	34.969402
"1275898"	346.117502	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Cl"	34.969402
"20641"	659.244806	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M-2H+K"	36.948606
"461292"	970.392906	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M-2H+K"	36.948606
"835088"	348.096706	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-2H+K"	36.948606
"1561488"	348.096706	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+K-2H"	36.948606
"947194"	356.146294	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-H+HCOOH"	44.998194
"361885"	667.294401	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+HCOOH-H"	44.998201
"353669"	681.310051	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+Hac-H"	59.013851
"1506518"	370.161951	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Hac-H"	59.013851
"970048"	378.128251	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-H+NaCOOH"	66.980151
"122235"	346.117502	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+2Cl"	69.938804
"561794"	501.691552	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+2Cl"	69.938804
"1030594"	190.543452	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2Cl"	69.938804
"1251265"	390.066985	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Br"	78.918885
"1309340"	392.122972	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Cl+HCOOH"	80.974872
"1327930"	414.104929	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Cl+NaCOOH"	102.956829
"920082"	424.133686	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M-H+CF3COOH"	112.985586
"1291688"	460.110364	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Cl+CF3COOH"	148.962264
"1373858"	276.135424	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H-2H2O"	-35.012676
"1391352"	294.1454	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H-H2O"	-17.0027
"287761"	623.303476	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+H"	1.007276
"683465"	934.451576	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+H"	1.007276
"1352887"	312.155376	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H"	1.007276
"130882"	312.155376	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+2H"	2.014552
"569712"	467.729426	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+2H"	2.014552
"1039603"	156.581326	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2H"	2.014552
"207138"	208.439342666667	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+3H"	3.021828
"646335"	312.155376	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+3H"	3.021828
"1163609"	104.723309333333	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+3H"	3.021828
"424441"	640.330023	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+NH4"	18.033823
"786906"	951.478123	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+NH4"	18.033823
"1695283"	329.181923	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+NH4"	18.033823
"342101"	320.6686495	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+H+NH4"	19.041099
"735613"	476.2426995	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+H+NH4"	19.041099
"1489437"	165.0945995	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H+NH4"	19.041099
"404834"	645.285418	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+Na"	22.989218
"763644"	956.433518	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+Na"	22.989218
"1615390"	334.137318	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Na"	22.989218
"326149"	323.146347	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+H+Na"	23.996494
"715290"	478.720397	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+H+Na"	23.996494
"1473484"	167.572297	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H+Na"	23.996494
"1063450"	112.050623333333	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2H+Na"	25.00377
"1266222"	344.181586	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+CH3OH+H"	33.033486
"389173"	661.259358	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+K"	38.963158
"747979"	972.407458	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+K"	38.963158
"1554415"	350.111258	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+K"	38.963158
"306119"	331.133317	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+H+K"	39.970434
"698539"	486.707367	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+H+K"	39.970434
"1457829"	175.559267	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H+K"	39.970434
"238776"	664.330026	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+ACN+H"	42.033826
"1214036"	353.181926	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+ACN+H"	42.033826
"1195732"	177.094601	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+ACN+2H"	43.041102
"195894"	667.26736	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+2Na-H"	44.97116
"632537"	978.41546	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+2Na-H"	44.97116
"1134949"	356.11926	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2Na-H"	44.97116
"177145"	334.137318	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+2Na"	45.978436
"614395"	489.711368	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+2Na"	45.978436
"1117659"	178.563268	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2Na"	45.978436
"1398997"	119.377937333333	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H+2Na"	46.985712
"1430747"	358.160846	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H+HCOOH"	47.012746
"224093"	339.17034	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+3H2O+2H"	56.04448
"1512883"	372.21289	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+IsoProp+H"	61.06479
"416219"	342.124288	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+Na+K"	61.952376
"776487"	497.698338	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+Na+K"	61.952376
"1676837"	186.550238	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Na+K"	61.952376
"258249"	686.311968	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+ACN+Na"	64.015768
"1232416"	375.163868	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+ACN+Na"	64.015768
"1721667"	375.187393	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+NH4+HCOOH"	64.039293
"1188843"	126.705251333333	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+3Na"	68.967654
"1658737"	380.142788	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Na+HCOOH"	68.994688
"163775"	699.21524	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+2K-H"	76.91904
"600419"	1010.36334	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+2K-H"	76.91904
"1086030"	388.06714	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2K-H"	76.91904
"142235"	350.111258	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"2M+2K"	77.926316
"590791"	505.685308	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"3M+2K"	77.926316
"1078585"	194.537208	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2K"	77.926316
"1113255"	390.081692	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2K+H"	78.933592
"1345996"	390.169307	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+DMSO+H"	79.021207
"1019634"	394.208476	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2ACN+H"	83.060376
"1538118"	395.202108	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+IsoProp+Na+H"	84.054008
"1000192"	197.607876	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+2ACN+2H"	84.067652
"1600164"	396.116728	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+K+HCOOH"	84.968628
"1428011"	426.148238	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+H+CF3COOH"	115.000138
"1159392"	218.121151	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+3ACN+2H"	125.094202
"1706756"	443.174785	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+NH4+CF3COOH"	132.026685
"1641313"	448.13018	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+Na+CF3COOH"	136.98208
"1575870"	464.10412	"C16985"	"Leonurine;Norboldine"	"C14H21N3O5"	"311.1481"	"M+K+CF3COOH"	152.95602
"814988"	424.225	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M"	0
"983056"	405.20661	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-H2O-H"	-19.01839
"69111"	281.809390666667	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M-3H"	-3.021828
"517668"	423.217724	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M-3H"	-3.021828
"895102"	140.401057333333	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-3H"	-3.021828
"14896"	423.217724	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M-2H"	-2.014552
"455071"	635.330224	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M-2H"	-2.014552
"831042"	211.105224	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-2H"	-2.014552
"93103"	847.442724	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M-H"	-1.007276
"533882"	1271.667724	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M-H"	-1.007276
"906330"	423.217724	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-H"	-1.007276
"61678"	864.469271	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M-2H+NH4"	16.019271
"501853"	1288.694271	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M-2H+NH4"	16.019271
"878803"	440.244271	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-2H+NH4"	16.019271
"44875"	869.424666	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M-2H+Na"	20.974666
"486511"	1293.649666	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M-2H+Na"	20.974666
"862607"	445.199666	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-2H+Na"	20.974666
"1633362"	445.199666	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Na-2H"	20.974666
"108796"	441.206063	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M-H+Cl"	33.962126
"548109"	653.318563	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M-H+Cl"	33.962126
"941748"	229.093563	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-H+Cl"	33.962126
"278841"	883.419402	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+Cl"	34.969402
"667981"	1307.644402	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+Cl"	34.969402
"1275642"	459.194402	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Cl"	34.969402
"18564"	885.398606	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M-2H+K"	36.948606
"461402"	1309.623606	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M-2H+K"	36.948606
"835561"	461.173606	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-2H+K"	36.948606
"1558318"	461.173606	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+K-2H"	36.948606
"946209"	469.223194	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-H+HCOOH"	44.998194
"362968"	893.448201	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+HCOOH-H"	44.998201
"353779"	907.463851	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+Hac-H"	59.013851
"1506628"	483.238851	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Hac-H"	59.013851
"971618"	491.205151	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-H+NaCOOH"	66.980151
"116878"	459.194402	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+2Cl"	69.938804
"559718"	671.306902	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+2Cl"	69.938804
"1031798"	247.081902	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2Cl"	69.938804
"1251374"	503.143885	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Br"	78.918885
"1312730"	505.199872	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Cl+HCOOH"	80.974872
"1324760"	527.181829	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Cl+NaCOOH"	102.956829
"915816"	537.210586	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M-H+CF3COOH"	112.985586
"1292527"	573.187264	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Cl+CF3COOH"	148.962264
"1369594"	389.212324	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H-2H2O"	-35.012676
"1389275"	407.2223	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H-H2O"	-17.0027
"287871"	849.457276	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+H"	1.007276
"684668"	1273.682276	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+H"	1.007276
"1355548"	425.232276	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H"	1.007276
"131721"	425.232276	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+2H"	2.014552
"569822"	637.344776	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+2H"	2.014552
"1042633"	213.119776	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2H"	2.014552
"207979"	283.823942666667	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+3H"	3.021828
"646082"	425.232276	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+3H"	3.021828
"1163841"	142.415609333333	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+3H"	3.021828
"424800"	866.483823	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+NH4"	18.033823
"787017"	1290.708823	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+NH4"	18.033823
"1695884"	442.258823	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+NH4"	18.033823
"344399"	433.7455495	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+H+NH4"	19.041099
"737667"	645.8580495	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+H+NH4"	19.041099
"1490278"	221.6330495	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H+NH4"	19.041099
"404581"	871.439218	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+Na"	22.989218
"767034"	1295.664218	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+Na"	22.989218
"1615864"	447.214218	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Na"	22.989218
"327967"	436.223247	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+H+Na"	23.996494
"715401"	648.335747	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+H+Na"	23.996494
"1467035"	224.110747	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H+Na"	23.996494
"1060280"	149.742923333333	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2H+Na"	25.00377
"1266333"	457.258486	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+CH3OH+H"	33.033486
"389653"	887.413158	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+K"	38.963158
"751740"	1311.638158	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+K"	38.963158
"1554526"	463.188158	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+K"	38.963158
"309510"	444.210217	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+H+K"	39.970434
"703029"	656.322717	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+H+K"	39.970434
"1449193"	232.097717	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H+K"	39.970434
"237429"	890.483826	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+ACN+H"	42.033826
"1211594"	466.258826	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+ACN+H"	42.033826
"1195476"	233.633051	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+ACN+2H"	43.041102
"194910"	893.42116	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+2Na-H"	44.97116
"629366"	1317.64616	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+2Na-H"	44.97116
"1132142"	469.19616	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2Na-H"	44.97116
"173237"	447.214218	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+2Na"	45.978436
"612976"	659.326718	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+2Na"	45.978436
"1115835"	235.101718	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2Na"	45.978436
"1398589"	157.070237333333	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H+2Na"	46.985712
"1430861"	471.237746	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H+HCOOH"	47.012746
"220432"	452.24724	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+3H2O+2H"	56.04448
"1514455"	485.28979	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+IsoProp+H"	61.06479
"414506"	455.201188	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+Na+K"	61.952376
"777326"	667.313688	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+Na+K"	61.952376
"1679738"	243.088688	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Na+K"	61.952376
"257266"	912.465768	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+ACN+Na"	64.015768
"1238358"	488.240768	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+ACN+Na"	64.015768
"1723964"	488.264293	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+NH4+HCOOH"	64.039293
"1190776"	164.397551333333	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+3Na"	68.967654
"1656658"	493.219688	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Na+HCOOH"	68.994688
"161700"	925.36904	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+2K-H"	76.91904
"599800"	1349.59404	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+2K-H"	76.91904
"1087963"	501.14404	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2K-H"	76.91904
"142101"	463.188158	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"2M+2K"	77.926316
"588715"	675.300658	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"3M+2K"	77.926316
"1078695"	251.075658	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2K"	77.926316
"1114460"	503.158592	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2K+H"	78.933592
"1349997"	503.246207	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+DMSO+H"	79.021207
"1020721"	507.285376	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2ACN+H"	83.060376
"1537135"	508.279008	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+IsoProp+Na+H"	84.054008
"1000302"	254.146326	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+2ACN+2H"	84.067652
"1598087"	509.193628	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+K+HCOOH"	84.968628
"1428852"	539.225138	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+H+CF3COOH"	115.000138
"1159504"	274.659601	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+3ACN+2H"	125.094202
"1710877"	556.251685	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+NH4+CF3COOH"	132.026685
"1638144"	561.20708	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+Na+CF3COOH"	136.98208
"1575980"	577.18102	"C16986"	"Licoricidin"	"C26H32O5"	"424.225"	"M+K+CF3COOH"	152.95602
"815098"	190.0994	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M"	0
"984260"	171.08101	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-H2O-H"	-19.01839
"69221"	125.725657333333	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M-3H"	-3.021828
"518142"	189.092124	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M-3H"	-3.021828
"894484"	62.3591906666667	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-3H"	-3.021828
"15005"	189.092124	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M-2H"	-2.014552
"455466"	284.141824	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M-2H"	-2.014552
"831152"	94.042424	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-2H"	-2.014552
"93818"	379.191524	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M-H"	-1.007276
"533996"	569.290924	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M-H"	-1.007276
"906440"	189.092124	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-H"	-1.007276
"61788"	396.218071	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M-2H+NH4"	16.019271
"501470"	586.317471	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M-2H+NH4"	16.019271
"879518"	206.118671	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-2H+NH4"	16.019271
"45594"	401.173466	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M-2H+Na"	20.974666
"486824"	591.272866	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M-2H+Na"	20.974666
"863692"	211.074066	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-2H+Na"	20.974666
"1633753"	211.074066	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Na-2H"	20.974666
"108783"	207.080463	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M-H+Cl"	33.962126
"548947"	302.130163	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M-H+Cl"	33.962126
"941974"	112.030763	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-H+Cl"	33.962126
"277858"	415.168202	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+Cl"	34.969402
"666998"	605.267602	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+Cl"	34.969402
"1276120"	225.068802	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Cl"	34.969402
"18309"	417.147406	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M-2H+K"	36.948606
"462606"	607.246806	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M-2H+K"	36.948606
"835305"	227.048006	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-2H+K"	36.948606
"1561706"	227.048006	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+K-2H"	36.948606
"944133"	235.097594	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-H+HCOOH"	44.998194
"362709"	425.197001	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+HCOOH-H"	44.998201
"348416"	439.212651	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+Hac-H"	59.013851
"1496160"	249.113251	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Hac-H"	59.013851
"958838"	257.079551	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-H+NaCOOH"	66.980151
"120269"	225.068802	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+2Cl"	69.938804
"557642"	320.118502	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+2Cl"	69.938804
"1024618"	130.019102	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2Cl"	69.938804
"1248204"	269.018285	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Br"	78.918885
"1311747"	271.074272	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Cl+HCOOH"	80.974872
"1322683"	293.056229	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Cl+NaCOOH"	102.956829
"912646"	303.084986	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M-H+CF3COOH"	112.985586
"1291544"	339.061664	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Cl+CF3COOH"	148.962264
"1371891"	155.086724	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H-2H2O"	-35.012676
"1389385"	173.0967	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H-H2O"	-17.0027
"285794"	381.206076	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+H"	1.007276
"681496"	571.305476	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+H"	1.007276
"1355660"	191.106676	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H"	1.007276
"135113"	191.106676	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+2H"	2.014552
"573579"	286.156376	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+2H"	2.014552
"1038735"	96.056976	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2H"	2.014552
"205903"	127.740209333333	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+3H"	3.021828
"645825"	191.106676	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+3H"	3.021828
"1163343"	64.3737426666667	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+3H"	3.021828
"424671"	398.232623	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+NH4"	18.033823
"785788"	588.332023	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+NH4"	18.033823
"1696234"	208.133223	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+NH4"	18.033823
"344510"	199.6199495	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+H+NH4"	19.041099
"735472"	294.6696495	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+H+NH4"	19.041099
"1489657"	104.5702495	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H+NH4"	19.041099
"406880"	403.188018	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+Na"	22.989218
"764958"	593.287418	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+Na"	22.989218
"1613058"	213.088618	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Na"	22.989218
"326370"	202.097647	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+H+Na"	23.996494
"714417"	297.147347	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+H+Na"	23.996494
"1468238"	107.047947	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H+Na"	23.996494
"1063670"	71.7010566666667	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2H+Na"	25.00377
"1267537"	223.132886	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+CH3OH+H"	33.033486
"389392"	419.161958	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+K"	38.963158
"751850"	609.261358	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+K"	38.963158
"1555244"	229.062558	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+K"	38.963158
"309256"	210.084617	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+H+K"	39.970434
"704232"	305.134317	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+H+K"	39.970434
"1450397"	115.034917	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H+K"	39.970434
"239361"	422.232626	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+ACN+H"	42.033826
"1212798"	232.133226	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+ACN+H"	42.033826
"1195586"	116.570251	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+ACN+2H"	43.041102
"196113"	425.16996	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+2Na-H"	44.97116
"632392"	615.26936	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+2Na-H"	44.97116
"1132004"	235.07056	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2Na-H"	44.97116
"173718"	213.088618	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+2Na"	45.978436
"614494"	308.138318	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+2Na"	45.978436
"1116298"	118.038918	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2Na"	45.978436
"1402497"	79.0283706666667	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H+2Na"	46.985712
"1432430"	237.112146	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H+HCOOH"	47.012746
"222852"	218.12164	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+3H2O+2H"	56.04448
"1513472"	251.16419	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+IsoProp+H"	61.06479
"414252"	221.075588	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+Na+K"	61.952376
"782541"	316.125288	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+Na+K"	61.952376
"1678152"	126.025888	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Na+K"	61.952376
"257012"	444.214568	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+ACN+Na"	64.015768
"1233000"	254.115168	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+ACN+Na"	64.015768
"1724074"	254.138693	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+NH4+HCOOH"	64.039293
"1189064"	86.3556846666667	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+3Na"	68.967654
"1659319"	259.094088	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Na+HCOOH"	68.994688
"162903"	457.11784	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+2K-H"	76.91904
"599549"	647.21724	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+2K-H"	76.91904
"1084260"	267.01844	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2K-H"	76.91904
"142703"	229.062558	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"2M+2K"	77.926316
"586638"	324.112258	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"3M+2K"	77.926316
"1073338"	134.012858	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2K"	77.926316
"1107642"	269.032992	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2K+H"	78.933592
"1350228"	269.120607	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+DMSO+H"	79.021207
"1021329"	273.159776	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2ACN+H"	83.060376
"1535057"	274.153408	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+IsoProp+Na+H"	84.054008
"1000412"	137.083526	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+2ACN+2H"	84.067652
"1597104"	275.068028	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+K+HCOOH"	84.968628
"1427139"	305.099538	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+H+CF3COOH"	115.000138
"1158520"	157.596801	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+3ACN+2H"	125.094202
"1709164"	322.126085	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+NH4+CF3COOH"	132.026685
"1637160"	327.08148	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+Na+CF3COOH"	136.98208
"1573903"	343.05542	"C16987"	"Ligustilide"	"C12H14O2"	"190.0994"	"M+K+CF3COOH"	152.95602
"813751"	230.1307	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M"	0
"979996"	211.11231	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"67144"	152.413190666667	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"518132"	229.123424	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"894229"	75.7029573333333	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"14508"	229.123424	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"455044"	344.188774	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"830656"	114.058074	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"92835"	459.254124	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"531907"	689.384824	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"907643"	229.123424	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"62263"	476.280671	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"501824"	706.411371	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"877194"	246.149971	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"42908"	481.236066	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"487045"	711.366766	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"864049"	251.105366	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1633950"	251.105366	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"109932"	247.111763	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"549185"	362.177113	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"942737"	132.046413	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"275781"	495.230802	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"672575"	725.361502	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1276229"	265.100102	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"18783"	497.210006	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"459436"	727.340706	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"835416"	267.079306	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1559994"	267.079306	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"944243"	275.128894	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"363183"	505.259601	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"347432"	519.275251	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1496265"	289.144551	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"959303"	297.110851	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"117095"	265.100102	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"557752"	380.165452	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1026551"	150.034752	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1245034"	309.049585	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1311857"	311.105572	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1328260"	333.087529	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"914215"	343.116286	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1291654"	379.092964	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1369814"	195.118024	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1387309"	213.128	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"286997"	461.268676	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"683793"	691.399376	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1360140"	231.137976	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"129023"	231.137976	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"572596"	346.203326	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1043220"	116.072626	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"206745"	154.427742666667	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"645572"	231.137976	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1164182"	77.7175093333333	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"424414"	478.295223	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"785655"	708.425923	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1696592"	248.164523	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"344986"	239.6512495	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"735946"	354.7165995	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1490862"	124.5858995	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"405897"	483.250618	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"763975"	713.381318	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1613168"	253.119918	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"324294"	242.128947	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"713434"	357.194297	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1469441"	127.063597	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1059408"	85.0448233333333	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1266554"	263.164186	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"387316"	499.224558	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"753055"	729.355258	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1555516"	269.093858	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"309730"	250.115917	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"706165"	365.181267	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1451601"	135.050567	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"246761"	502.295226	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1218377"	272.164526	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1196182"	136.585901	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"195128"	505.23256	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"630072"	735.36326	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1134916"	275.10186	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"177112"	253.119918	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"622140"	368.185268	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1117137"	138.054568	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1400055"	92.3721373333333	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1431811"	277.143446	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"222233"	258.15294	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1515768"	291.19549	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"414362"	261.106888	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"783015"	376.172238	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1678982"	146.041538	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"259309"	524.277168	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1229099"	294.146468	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1725278"	294.169993	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1187351"	99.6994513333333	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1659431"	299.125388	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"164106"	537.18044	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"599295"	767.31114	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1088184"	307.04974	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"142813"	269.093858	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"586748"	384.159208	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1073448"	154.028508	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1106659"	309.064292	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1350460"	309.151907	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1021286"	313.191076	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1537359"	314.184708	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"1001615"	157.099176	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1596121"	315.099328	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1426156"	345.130838	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1158631"	177.612451	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1709274"	362.157385	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1638363"	367.11278	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1577293"	383.08672	"C16988"	"Linderenol;Linderene"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"815318"	418.1264	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M"	0
"983386"	399.10801	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-H2O-H"	-19.01839
"66161"	277.743657333333	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M-3H"	-3.021828
"513378"	417.119124	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M-3H"	-3.021828
"893366"	138.368190666667	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-3H"	-3.021828
"14739"	417.119124	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M-2H"	-2.014552
"455237"	626.182324	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M-2H"	-2.014552
"832468"	208.055924	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-2H"	-2.014552
"93999"	835.245524	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M-H"	-1.007276
"532382"	1253.371924	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M-H"	-1.007276
"907753"	417.119124	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-H"	-1.007276
"62633"	852.272071	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M-2H+NH4"	16.019271
"502635"	1270.398471	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M-2H+NH4"	16.019271
"879418"	434.145671	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-2H+NH4"	16.019271
"46630"	857.227466	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M-2H+Na"	20.974666
"486880"	1275.353866	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M-2H+Na"	20.974666
"864172"	439.101066	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-2H+Na"	20.974666
"1634146"	439.101066	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Na-2H"	20.974666
"109987"	435.107463	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M-H+Cl"	33.962126
"548193"	644.170663	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M-H+Cl"	33.962126
"942072"	226.044263	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-H+Cl"	33.962126
"279171"	871.222202	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+Cl"	34.969402
"671591"	1289.348602	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+Cl"	34.969402
"1277433"	453.095802	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Cl"	34.969402
"17436"	873.201406	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M-2H+K"	36.948606
"459549"	1291.327806	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M-2H+K"	36.948606
"835523"	455.075006	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-2H+K"	36.948606
"1558282"	455.075006	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+K-2H"	36.948606
"944353"	463.124594	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-H+HCOOH"	44.998194
"362686"	881.251001	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+HCOOH-H"	44.998201
"345881"	895.266651	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+Hac-H"	59.013851
"1495282"	477.140251	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Hac-H"	59.013851
"960154"	485.106551	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-H+NaCOOH"	66.980151
"118298"	453.095802	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+2Cl"	69.938804
"563328"	662.159002	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+2Cl"	69.938804
"1031036"	244.032602	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2Cl"	69.938804
"1248426"	497.045285	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Br"	78.918885
"1307593"	499.101272	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Cl+HCOOH"	80.974872
"1328370"	521.083229	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Cl+NaCOOH"	102.956829
"912867"	531.111986	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M-H+CF3COOH"	112.985586
"1289208"	567.088664	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Cl+CF3COOH"	148.962264
"1369558"	383.113724	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H-2H2O"	-35.012676
"1386325"	401.1237	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H-H2O"	-17.0027
"286014"	837.260076	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+H"	1.007276
"681715"	1255.386476	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+H"	1.007276
"1358063"	419.133676	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H"	1.007276
"128403"	419.133676	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+2H"	2.014552
"573800"	628.196876	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+2H"	2.014552
"1044059"	210.070476	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2H"	2.014552
"206003"	279.758209333333	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+3H"	3.021828
"646048"	419.133676	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+3H"	3.021828
"1165268"	140.382742666667	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+3H"	3.021828
"424569"	854.286623	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+NH4"	18.033823
"787348"	1272.413023	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+NH4"	18.033823
"1695000"	436.160223	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+NH4"	18.033823
"344367"	427.6469495	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+H+NH4"	19.041099
"737149"	636.7101495	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+H+NH4"	19.041099
"1492559"	218.5837495	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H+NH4"	19.041099
"407100"	859.242018	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+Na"	22.989218
"765178"	1277.368418	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+Na"	22.989218
"1615464"	441.115618	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Na"	22.989218
"325497"	430.124647	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+H+Na"	23.996494
"710262"	639.187847	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+H+Na"	23.996494
"1468458"	221.061447	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H+Na"	23.996494
"1060611"	147.710056666667	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2H+Na"	25.00377
"1264477"	451.159886	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+CH3OH+H"	33.033486
"384146"	875.215958	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+K"	38.963158
"749516"	1293.342358	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+K"	38.963158
"1553394"	457.089558	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+K"	38.963158
"307653"	438.111617	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+H+K"	39.970434
"704817"	647.174817	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+H+K"	39.970434
"1456084"	229.048417	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H+K"	39.970434
"246507"	878.286626	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+ACN+H"	42.033826
"1216300"	460.160226	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+ACN+H"	42.033826
"1196171"	230.583751	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+ACN+2H"	43.041102
"191958"	881.22396	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+2Na-H"	44.97116
"631153"	1299.35036	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+2Na-H"	44.97116
"1136118"	463.09756	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2Na-H"	44.97116
"177219"	441.115618	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+2Na"	45.978436
"624073"	650.178818	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+2Na"	45.978436
"1117247"	232.052418	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2Na"	45.978436
"1401624"	155.037370666667	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H+2Na"	46.985712
"1433014"	465.139146	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H+HCOOH"	47.012746
"223072"	446.14864	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+3H2O+2H"	56.04448
"1515878"	479.19119	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+IsoProp+H"	61.06479
"414472"	449.102588	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+Na+K"	61.952376
"782032"	658.165788	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+Na+K"	61.952376
"1680673"	240.039388	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Na+K"	61.952376
"263793"	900.268568	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+ACN+Na"	64.015768
"1234317"	482.142168	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+ACN+Na"	64.015768
"1723199"	482.165693	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+NH4+HCOOH"	64.039293
"1188554"	162.364684666667	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+3Na"	68.967654
"1655168"	487.121088	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Na+HCOOH"	68.994688
"162030"	913.17184	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+2K-H"	76.91904
"599647"	1331.29824	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+2K-H"	76.91904
"1088294"	495.04544	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2K-H"	76.91904
"142923"	457.089558	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"2M+2K"	77.926316
"586858"	666.152758	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"3M+2K"	77.926316
"1073558"	248.026358	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2K"	77.926316
"1107862"	497.059992	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2K+H"	78.933592
"1348626"	497.147607	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+DMSO+H"	79.021207
"1020077"	501.186776	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2ACN+H"	83.060376
"1537468"	502.180408	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+IsoProp+Na+H"	84.054008
"1002823"	251.097026	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+2ACN+2H"	84.067652
"1600605"	503.095028	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+K+HCOOH"	84.968628
"1426266"	533.126538	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+H+CF3COOH"	115.000138
"1160929"	271.610301	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+3ACN+2H"	125.094202
"1710477"	550.153085	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+NH4+CF3COOH"	132.026685
"1639566"	555.10848	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+Na+CF3COOH"	136.98208
"1577403"	571.08242	"C16989"	"Liquiritin;Liquiritigenin-4-beta-glucoside"	"C21H22O9"	"418.1264"	"M+K+CF3COOH"	152.95602
"814700"	424.3705	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M"	0
"976935"	405.35211	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-H2O-H"	-19.01839
"67364"	281.906390666667	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M-3H"	-3.021828
"510207"	423.363224	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M-3H"	-3.021828
"890196"	140.449557333333	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-3H"	-3.021828
"12782"	423.363224	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M-2H"	-2.014552
"455504"	635.548474	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M-2H"	-2.014552
"832775"	211.177974	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-2H"	-2.014552
"93175"	847.733724	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M-H"	-1.007276
"530061"	1272.104224	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M-H"	-1.007276
"907863"	423.363224	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-H"	-1.007276
"62122"	864.760271	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M-2H+NH4"	16.019271
"502494"	1289.130771	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M-2H+NH4"	16.019271
"879776"	440.389771	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-2H+NH4"	16.019271
"46698"	869.715666	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M-2H+Na"	20.974666
"486627"	1294.086166	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M-2H+Na"	20.974666
"864067"	445.345166	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-2H+Na"	20.974666
"1634046"	445.345166	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Na-2H"	20.974666
"109109"	441.351563	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M-H+Cl"	33.962126
"545752"	653.536813	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M-H+Cl"	33.962126
"941454"	229.166313	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-H+Cl"	33.962126
"281104"	883.710402	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+Cl"	34.969402
"671700"	1308.080902	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+Cl"	34.969402
"1277543"	459.339902	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Cl"	34.969402
"25566"	885.689606	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M-2H+K"	36.948606
"459659"	1310.060106	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M-2H+K"	36.948606
"834540"	461.319106	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-2H+K"	36.948606
"1558757"	461.319106	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+K-2H"	36.948606
"946650"	469.368694	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-H+HCOOH"	44.998194
"361479"	893.739201	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+HCOOH-H"	44.998201
"345844"	907.754851	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+Hac-H"	59.013851
"1493206"	483.384351	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Hac-H"	59.013851
"960021"	491.350651	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-H+NaCOOH"	66.980151
"118408"	459.339902	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+2Cl"	69.938804
"562344"	671.525152	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+2Cl"	69.938804
"1031146"	247.154652	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2Cl"	69.938804
"1248536"	503.289385	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Br"	78.918885
"1308798"	505.345372	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Cl+HCOOH"	80.974872
"1328480"	527.327329	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Cl+NaCOOH"	102.956829
"911884"	537.356086	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M-H+CF3COOH"	112.985586
"1289684"	573.332764	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Cl+CF3COOH"	148.962264
"1367843"	389.357824	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H-2H2O"	-35.012676
"1384248"	407.3678	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H-H2O"	-17.0027
"288311"	849.748276	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+H"	1.007276
"681825"	1274.118776	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+H"	1.007276
"1358172"	425.377776	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H"	1.007276
"126691"	425.377776	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+2H"	2.014552
"573910"	637.563026	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+2H"	2.014552
"1040888"	213.192526	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2H"	2.014552
"205625"	283.920942666667	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+3H"	3.021828
"645428"	425.377776	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+3H"	3.021828
"1163429"	142.464109333333	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+3H"	3.021828
"424760"	866.774823	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+NH4"	18.033823
"788188"	1291.145323	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+NH4"	18.033823
"1696082"	442.404323	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+NH4"	18.033823
"344479"	433.8910495	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+H+NH4"	19.041099
"736897"	646.0762995	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+H+NH4"	19.041099
"1492466"	221.7057995	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H+NH4"	19.041099
"407210"	871.730218	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+Na"	22.989218
"766017"	1296.100718	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+Na"	22.989218
"1614117"	447.359718	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Na"	22.989218
"325607"	436.368747	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+H+Na"	23.996494
"712559"	648.553997	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+H+Na"	23.996494
"1469661"	224.183497	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H+Na"	23.996494
"1060721"	149.791423333333	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2H+Na"	25.00377
"1264587"	457.403986	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+CH3OH+H"	33.033486
"384256"	887.704158	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+K"	38.963158
"750721"	1312.074658	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+K"	38.963158
"1554232"	463.333658	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+K"	38.963158
"306670"	444.355717	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+H+K"	39.970434
"706021"	656.540967	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+H+K"	39.970434
"1456194"	232.170467	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H+K"	39.970434
"244795"	890.774826	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+ACN+H"	42.033826
"1216410"	466.404326	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+ACN+H"	42.033826
"1194817"	233.705801	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+ACN+2H"	43.041102
"189881"	893.71216	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+2Na-H"	44.97116
"629442"	1318.08266	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+2Na-H"	44.97116
"1137323"	469.34166	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2Na-H"	44.97116
"176601"	447.359718	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+2Na"	45.978436
"625642"	659.544968	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+2Na"	45.978436
"1117847"	235.174468	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2Na"	45.978436
"1399550"	157.118737333333	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H+2Na"	46.985712
"1432760"	471.383246	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H+HCOOH"	47.012746
"222454"	452.39274	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+3H2O+2H"	56.04448
"1513799"	485.43529	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+IsoProp+H"	61.06479
"414582"	455.346688	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+Na+K"	61.952376
"776671"	667.531938	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+Na+K"	61.952376
"1680661"	243.161438	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Na+K"	61.952376
"263903"	912.756768	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+ACN+Na"	64.015768
"1236613"	488.386268	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+ACN+Na"	64.015768
"1721853"	488.409793	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+NH4+HCOOH"	64.039293
"1189758"	164.446051333333	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+3Na"	68.967654
"1655278"	493.365188	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Na+HCOOH"	68.994688
"162140"	925.66004	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+2K-H"	76.91904
"599635"	1350.03054	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+2K-H"	76.91904
"1088404"	501.28954	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2K-H"	76.91904
"143033"	463.333658	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"2M+2K"	77.926316
"586968"	675.518908	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"3M+2K"	77.926316
"1073668"	251.148408	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2K"	77.926316
"1110159"	503.304092	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2K+H"	78.933592
"1350804"	503.391707	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+DMSO+H"	79.021207
"1021241"	507.430876	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2ACN+H"	83.060376
"1536484"	508.424508	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+IsoProp+Na+H"	84.054008
"1004877"	254.219076	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+2ACN+2H"	84.067652
"1599622"	509.339128	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+K+HCOOH"	84.968628
"1426376"	539.370638	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+H+CF3COOH"	115.000138
"1161039"	274.732351	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+3ACN+2H"	125.094202
"1710588"	556.397185	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+NH4+CF3COOH"	132.026685
"1637490"	561.35258	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+Na+CF3COOH"	136.98208
"1576420"	577.32652	"C16990"	"Lupenone"	"C30H48O"	"424.3705"	"M+K+CF3COOH"	152.95602
"815174"	314.1756	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M"	0
"977045"	295.15721	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-H2O-H"	-19.01839
"67474"	208.443124	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M-3H"	-3.021828
"510317"	313.168324	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M-3H"	-3.021828
"891399"	103.717924	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-3H"	-3.021828
"11070"	313.168324	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M-2H"	-2.014552
"454886"	470.256124	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M-2H"	-2.014552
"832203"	156.080524	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-2H"	-2.014552
"92192"	627.343924	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M-H"	-1.007276
"530171"	941.519524	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M-H"	-1.007276
"907973"	313.168324	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-H"	-1.007276
"62110"	644.370471	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M-2H+NH4"	16.019271
"501916"	958.546071	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M-2H+NH4"	16.019271
"879599"	330.194871	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-2H+NH4"	16.019271
"45672"	649.325866	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M-2H+Na"	20.974666
"482800"	963.501466	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M-2H+Na"	20.974666
"862063"	335.150266	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-2H+Na"	20.974666
"1629042"	335.150266	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Na-2H"	20.974666
"108489"	331.156663	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M-H+Cl"	33.962126
"549023"	488.244463	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M-H+Cl"	33.962126
"941198"	174.068863	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-H+Cl"	33.962126
"279388"	663.320602	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+Cl"	34.969402
"668530"	977.496202	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+Cl"	34.969402
"1279840"	349.145002	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Cl"	34.969402
"22396"	665.299806	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M-2H+K"	36.948606
"458675"	979.475406	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M-2H+K"	36.948606
"835382"	351.124206	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-2H+K"	36.948606
"1557411"	351.124206	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+K-2H"	36.948606
"944571"	359.173794	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-H+HCOOH"	44.998194
"364972"	673.349401	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+HCOOH-H"	44.998201
"347763"	687.365051	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+Hac-H"	59.013851
"1495501"	373.189451	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Hac-H"	59.013851
"959760"	381.155751	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-H+NaCOOH"	66.980151
"118518"	349.145002	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+2Cl"	69.938804
"561361"	506.232802	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+2Cl"	69.938804
"1031256"	192.057202	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2Cl"	69.938804
"1245366"	393.094485	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Br"	78.918885
"1306720"	395.150472	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Cl+HCOOH"	80.974872
"1322030"	417.132429	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Cl+NaCOOH"	102.956829
"912722"	427.161186	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M-H+CF3COOH"	112.985586
"1289794"	463.137864	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Cl+CF3COOH"	148.962264
"1369043"	279.162924	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H-2H2O"	-35.012676
"1384357"	297.1729	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H-H2O"	-17.0027
"288421"	629.358476	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+H"	1.007276
"684122"	943.534076	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+H"	1.007276
"1359375"	315.182876	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H"	1.007276
"127891"	315.182876	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+2H"	2.014552
"574021"	472.270676	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+2H"	2.014552
"1040634"	158.095076	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2H"	2.014552
"205250"	210.457676	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+3H"	3.021828
"645539"	315.182876	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+3H"	3.021828
"1164759"	105.732476	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+3H"	3.021828
"425843"	646.385023	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+NH4"	18.033823
"789757"	960.560623	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+NH4"	18.033823
"1696313"	332.209423	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+NH4"	18.033823
"343493"	323.6961495	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+H+NH4"	19.041099
"736643"	480.7839495	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+H+NH4"	19.041099
"1491554"	166.6083495	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H+NH4"	19.041099
"406228"	651.340418	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+Na"	22.989218
"768312"	965.516018	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+Na"	22.989218
"1616409"	337.164818	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Na"	22.989218
"323530"	326.173847	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+H+Na"	23.996494
"711575"	483.261647	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+H+Na"	23.996494
"1469771"	169.086047	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H+Na"	23.996494
"1064110"	113.05979	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2H+Na"	25.00377
"1266882"	347.209086	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+CH3OH+H"	33.033486
"386552"	667.314358	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+K"	38.963158
"752654"	981.489958	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+K"	38.963158
"1552521"	353.138758	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+K"	38.963158
"306780"	334.160817	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+H+K"	39.970434
"706583"	491.248617	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+H+K"	39.970434
"1455211"	177.073017	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H+K"	39.970434
"248550"	670.385026	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+ACN+H"	42.033826
"1223082"	356.209426	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+ACN+H"	42.033826
"1198214"	178.608351	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+ACN+2H"	43.041102
"196553"	673.32236	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+2Na-H"	44.97116
"633561"	987.49796	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+2Na-H"	44.97116
"1141807"	359.14676	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2Na-H"	44.97116
"182909"	337.164818	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+2Na"	45.978436
"626480"	494.252618	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+2Na"	45.978436
"1120510"	180.077018	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2Na"	45.978436
"1404035"	120.387104	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H+2Na"	46.985712
"1433964"	361.188346	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H+HCOOH"	47.012746
"224752"	342.19784	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+3H2O+2H"	56.04448
"1516097"	375.24039	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+IsoProp+H"	61.06479
"420159"	345.151788	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+Na+K"	61.952376
"778968"	502.239588	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+Na+K"	61.952376
"1680043"	188.063988	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Na+K"	61.952376
"263650"	692.366968	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+ACN+Na"	64.015768
"1236359"	378.191368	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+ACN+Na"	64.015768
"1723422"	378.214893	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+NH4+HCOOH"	64.039293
"1189507"	127.714418	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+3Na"	68.967654
"1656481"	383.170288	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Na+HCOOH"	68.994688
"166988"	705.27024	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+2K-H"	76.91904
"604726"	1019.44584	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+2K-H"	76.91904
"1088514"	391.09464	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2K-H"	76.91904
"144235"	353.138758	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"2M+2K"	77.926316
"587078"	510.226558	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"3M+2K"	77.926316
"1073778"	196.050958	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2K"	77.926316
"1110269"	393.109192	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2K+H"	78.933592
"1349816"	393.196807	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+DMSO+H"	79.021207
"1021148"	397.235976	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2ACN+H"	83.060376
"1537687"	398.229608	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+IsoProp+Na+H"	84.054008
"1003041"	199.121626	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+2ACN+2H"	84.067652
"1599732"	399.144228	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+K+HCOOH"	84.968628
"1422112"	429.175738	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+H+CF3COOH"	115.000138
"1161147"	219.634901	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+3ACN+2H"	125.094202
"1708512"	446.202285	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+NH4+CF3COOH"	132.026685
"1636507"	451.15768	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+Na+CF3COOH"	136.98208
"1576530"	467.13162	"C16991"	"Magnocurarine"	"C19H24NO3"	"314.1756"	"M+K+CF3COOH"	152.95602
"815284"	480.3087	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M"	0
"977155"	461.29031	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-H2O-H"	-19.01839
"67584"	319.198524	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M-3H"	-3.021828
"510427"	479.301424	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M-3H"	-3.021828
"893698"	159.095624	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-3H"	-3.021828
"13004"	479.301424	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M-2H"	-2.014552
"455124"	719.455774	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M-2H"	-2.014552
"831583"	239.147074	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-2H"	-2.014552
"92670"	959.610124	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M-H"	-1.007276
"530281"	1439.918824	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M-H"	-1.007276
"909424"	479.301424	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-H"	-1.007276
"62549"	976.636671	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M-2H+NH4"	16.019271
"502029"	1456.945371	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M-2H+NH4"	16.019271
"879689"	496.327971	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-2H+NH4"	16.019271
"45299"	981.592066	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M-2H+Na"	20.974666
"484005"	1461.900766	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M-2H+Na"	20.974666
"863147"	501.283366	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-2H+Na"	20.974666
"1629881"	501.283366	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Na-2H"	20.974666
"107507"	497.289763	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M-H+Cl"	33.962126
"547919"	737.444113	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M-H+Cl"	33.962126
"939851"	257.135413	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-H+Cl"	33.962126
"279498"	995.586802	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+Cl"	34.969402
"667547"	1475.895502	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+Cl"	34.969402
"1277764"	515.278102	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Cl"	34.969402
"18134"	997.566006	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M-2H+K"	36.948606
"458788"	1477.874706	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M-2H+K"	36.948606
"835492"	517.257306	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-2H+K"	36.948606
"1558248"	517.257306	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+K-2H"	36.948606
"945039"	525.306894	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-H+HCOOH"	44.998194
"363989"	1005.615601	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+HCOOH-H"	44.998201
"347873"	1019.631251	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+Hac-H"	59.013851
"1492897"	539.322551	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Hac-H"	59.013851
"960597"	547.288851	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-H+NaCOOH"	66.980151
"118628"	515.278102	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+2Cl"	69.938804
"556001"	755.432452	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+2Cl"	69.938804
"1025899"	275.123752	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2Cl"	69.938804
"1245476"	559.227585	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Br"	78.918885
"1306831"	561.283572	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Cl+HCOOH"	80.974872
"1322140"	583.265529	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Cl+NaCOOH"	102.956829
"913562"	593.294286	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M-H+CF3COOH"	112.985586
"1290997"	629.270964	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Cl+CF3COOH"	148.962264
"1369152"	445.296024	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H-2H2O"	-35.012676
"1384831"	463.306	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H-H2O"	-17.0027
"288531"	961.624676	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+H"	1.007276
"682045"	1441.933376	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+H"	1.007276
"1358392"	481.315976	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H"	1.007276
"126907"	481.315976	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+2H"	2.014552
"569024"	721.470326	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+2H"	2.014552
"1039649"	241.161626	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2H"	2.014552
"206452"	321.213076	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+3H"	3.021828
"647105"	481.315976	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+3H"	3.021828
"1163403"	161.110176	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+3H"	3.021828
"425710"	978.651223	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+NH4"	18.033823
"787068"	1458.959923	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+NH4"	18.033823
"1696422"	498.342523	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+NH4"	18.033823
"343601"	489.8292495	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+H+NH4"	19.041099
"736755"	729.9835995	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+H+NH4"	19.041099
"1489838"	249.6748995	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H+NH4"	19.041099
"407308"	983.606618	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+Na"	22.989218
"766597"	1463.915318	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+Na"	22.989218
"1609227"	503.297918	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Na"	22.989218
"324733"	492.306947	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+H+Na"	23.996494
"709499"	732.461297	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+H+Na"	23.996494
"1468788"	252.152597	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H+Na"	23.996494
"1064220"	168.43749	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2H+Na"	25.00377
"1265899"	513.342186	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+CH3OH+H"	33.033486
"386662"	999.580558	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+K"	38.963158
"751671"	1479.889258	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+K"	38.963158
"1552631"	519.271858	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+K"	38.963158
"306890"	500.293917	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+H+K"	39.970434
"703324"	740.448267	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+H+K"	39.970434
"1455320"	260.139567	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H+K"	39.970434
"242828"	1002.651226	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+ACN+H"	42.033826
"1222097"	522.342526	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+ACN+H"	42.033826
"1202698"	261.674901	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+ACN+2H"	43.041102
"194476"	1005.58856	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+2Na-H"	44.97116
"631850"	1485.89726	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+2Na-H"	44.97116
"1143010"	525.27986	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2Na-H"	44.97116
"185206"	503.297918	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+2Na"	45.978436
"626834"	743.452268	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+2Na"	45.978436
"1121714"	263.143568	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2Na"	45.978436
"1404509"	175.764804	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H+2Na"	46.985712
"1435166"	527.321446	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H+HCOOH"	47.012746
"225227"	508.33094	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+3H2O+2H"	56.04448
"1517300"	541.37349	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+IsoProp+H"	61.06479
"420269"	511.284888	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+Na+K"	61.952376
"779078"	751.439238	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+Na+K"	61.952376
"1679061"	271.130538	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Na+K"	61.952376
"262667"	1024.633168	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+ACN+Na"	64.015768
"1235010"	544.324468	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+ACN+Na"	64.015768
"1724262"	544.347993	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+NH4+HCOOH"	64.039293
"1191075"	183.092118	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+3Na"	68.967654
"1663884"	549.303388	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Na+HCOOH"	68.994688
"167829"	1037.53644	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+2K-H"	76.91904
"603743"	1517.84514	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+2K-H"	76.91904
"1088624"	557.22774	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2K-H"	76.91904
"143615"	519.271858	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"2M+2K"	77.926316
"587188"	759.426208	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"3M+2K"	77.926316
"1073888"	279.117508	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2K"	77.926316
"1110379"	559.242292	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2K+H"	78.933592
"1350048"	559.329907	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+DMSO+H"	79.021207
"1020286"	563.369076	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2ACN+H"	83.060376
"1537797"	564.362708	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+IsoProp+Na+H"	84.054008
"1003151"	282.188176	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+2ACN+2H"	84.067652
"1599842"	565.277328	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+K+HCOOH"	84.968628
"1422222"	595.308838	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+H+CF3COOH"	115.000138
"1156884"	302.701451	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+3ACN+2H"	125.094202
"1708622"	612.335385	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+NH4+CF3COOH"	132.026685
"1637710"	617.29078	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+Na+CF3COOH"	136.98208
"1576640"	633.26472	"C16992"	"Callinecdysone A"	"C27H44O7"	"480.3087"	"M+K+CF3COOH"	152.95602
"815758"	148.1252	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M"	0
"980546"	129.10681	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-H2O-H"	-19.01839
"66601"	97.7428573333333	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M-3H"	-3.021828
"508349"	147.117924	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M-3H"	-3.021828
"891618"	48.3677906666667	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-3H"	-3.021828
"10195"	147.117924	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M-2H"	-2.014552
"455351"	221.180524	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M-2H"	-2.014552
"832428"	73.055324	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-2H"	-2.014552
"93867"	295.243124	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M-H"	-1.007276
"533447"	443.368324	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M-H"	-1.007276
"911006"	147.117924	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-H"	-1.007276
"61737"	312.269671	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M-2H+NH4"	16.019271
"501661"	460.394871	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M-2H+NH4"	16.019271
"878856"	164.144471	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-2H+NH4"	16.019271
"46270"	317.225066	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M-2H+Na"	20.974666
"486315"	465.350266	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M-2H+Na"	20.974666
"863631"	169.099866	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-2H+Na"	20.974666
"1633528"	169.099866	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Na-2H"	20.974666
"107616"	165.106263	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M-H+Cl"	33.962126
"549244"	239.168863	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M-H+Cl"	33.962126
"941782"	91.043663	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-H+Cl"	33.962126
"282043"	331.219802	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+Cl"	34.969402
"674217"	479.345002	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+Cl"	34.969402
"1281154"	183.094602	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Cl"	34.969402
"21525"	333.199006	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M-2H+K"	36.948606
"468738"	481.324206	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M-2H+K"	36.948606
"834876"	185.073806	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-2H+K"	36.948606
"1558362"	185.073806	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+K-2H"	36.948606
"944787"	193.123394	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-H+HCOOH"	44.998194
"365193"	341.248601	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+HCOOH-H"	44.998201
"346644"	355.264251	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+Hac-H"	59.013851
"1493899"	207.139051	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Hac-H"	59.013851
"959376"	215.105351	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-H+NaCOOH"	66.980151
"118739"	183.094602	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+2Cl"	69.938804
"555018"	257.157202	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+2Cl"	69.938804
"1030380"	109.032002	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2Cl"	69.938804
"1245585"	227.044085	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Br"	78.918885
"1308033"	229.100072	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Cl+HCOOH"	80.974872
"1324436"	251.082029	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Cl+NaCOOH"	102.956829
"913305"	261.110786	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M-H+CF3COOH"	112.985586
"1289643"	297.087464	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Cl+CF3COOH"	148.962264
"1368534"	113.112524	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H-2H2O"	-35.012676
"1383156"	131.1225	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H-H2O"	-17.0027
"286454"	297.257676	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+H"	1.007276
"678144"	445.382876	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+H"	1.007276
"1355222"	149.132476	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H"	1.007276
"127744"	149.132476	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+2H"	2.014552
"569499"	223.195076	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+2H"	2.014552
"1040487"	75.069876	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2H"	2.014552
"206196"	99.7574093333333	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+3H"	3.021828
"646850"	149.132476	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+3H"	3.021828
"1163880"	50.3823426666667	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+3H"	3.021828
"425452"	314.284223	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+NH4"	18.033823
"785836"	462.409423	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+NH4"	18.033823
"1696410"	166.159023	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+NH4"	18.033823
"344802"	157.6457495	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+H+NH4"	19.041099
"737832"	231.7083495	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+H+NH4"	19.041099
"1489218"	83.5831495	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H+NH4"	19.041099
"405711"	319.239618	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+Na"	22.989218
"766706"	467.364818	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+Na"	22.989218
"1610428"	171.114418	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Na"	22.989218
"319375"	160.123447	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+H+Na"	23.996494
"721277"	234.186047	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+H+Na"	23.996494
"1475706"	86.060847	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H+Na"	23.996494
"1065789"	57.7096566666667	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2H+Na"	25.00377
"1266009"	181.158686	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+CH3OH+H"	33.033486
"383491"	335.213558	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+K"	38.963158
"752141"	483.338758	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+K"	38.963158
"1548728"	187.088358	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+K"	38.963158
"313197"	168.110417	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+H+K"	39.970434
"704528"	242.173017	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+H+K"	39.970434
"1457618"	94.047817	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H+K"	39.970434
"244033"	338.284226	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+ACN+H"	42.033826
"1215646"	190.159026	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+ACN+H"	42.033826
"1196369"	95.583151	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+ACN+2H"	43.041102
"192762"	341.22156	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+2Na-H"	44.97116
"633054"	489.34676	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+2Na-H"	44.97116
"1136193"	193.09636	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2Na-H"	44.97116
"185316"	171.114418	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+2Na"	45.978436
"624876"	245.177018	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+2Na"	45.978436
"1126193"	97.051818	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2Na"	45.978436
"1406438"	65.0369706666667	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H+2Na"	46.985712
"1438554"	195.137946	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H+HCOOH"	47.012746
"224243"	176.14744	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+3H2O+2H"	56.04448
"1516318"	209.18999	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+IsoProp+H"	61.06479
"421472"	179.101388	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+Na+K"	61.952376
"777366"	253.163988	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+Na+K"	61.952376
"1678806"	105.038788	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Na+K"	61.952376
"265334"	360.266168	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+ACN+Na"	64.015768
"1240470"	212.140968	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+ACN+Na"	64.015768
"1725103"	212.164493	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+NH4+HCOOH"	64.039293
"1190456"	72.3642846666667	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+3Na"	68.967654
"1662901"	217.119888	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Na+HCOOH"	68.994688
"167208"	373.16944	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+2K-H"	76.91904
"604220"	521.29464	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+2K-H"	76.91904
"1097971"	225.04424	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2K-H"	76.91904
"151748"	187.088358	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"2M+2K"	77.926316
"589485"	261.150958	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"3M+2K"	77.926316
"1073998"	113.025758	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2K"	77.926316
"1107208"	227.058792	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2K+H"	78.933592
"1347970"	227.146407	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+DMSO+H"	79.021207
"1021132"	231.185576	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2ACN+H"	83.060376
"1539494"	232.179208	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+IsoProp+Na+H"	84.054008
"1003261"	116.096426	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+2ACN+2H"	84.067652
"1602018"	233.093828	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+K+HCOOH"	84.968628
"1426706"	263.125338	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+H+CF3COOH"	115.000138
"1159180"	136.609701	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+3ACN+2H"	125.094202
"1710916"	280.151885	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+NH4+CF3COOH"	132.026685
"1636727"	285.10728	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+Na+CF3COOH"	136.98208
"1576750"	301.08122	"C16993"	"Ectocarpen"	"C11H16"	"148.1252"	"M+K+CF3COOH"	152.95602
"814776"	177.1001	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M"	0
"977374"	158.08171	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-H2O-H"	-19.01839
"64521"	117.059457333333	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M-3H"	-3.021828
"507366"	176.092824	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M-3H"	-3.021828
"881887"	58.0260906666667	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-3H"	-3.021828
"3742"	176.092824	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M-2H"	-2.014552
"448773"	264.642874	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M-2H"	-2.014552
"832532"	87.542774	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-2H"	-2.014552
"86565"	353.192924	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M-H"	-1.007276
"534116"	530.293024	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M-H"	-1.007276
"911302"	176.092824	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-H"	-1.007276
"62695"	370.219471	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M-2H+NH4"	16.019271
"502664"	547.319571	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M-2H+NH4"	16.019271
"879291"	193.119371	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-2H+NH4"	16.019271
"46910"	375.174866	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M-2H+Na"	20.974666
"486992"	552.274966	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M-2H+Na"	20.974666
"864025"	198.074766	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-2H+Na"	20.974666
"1634085"	198.074766	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Na-2H"	20.974666
"106997"	194.081163	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M-H+Cl"	33.962126
"549354"	282.631213	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M-H+Cl"	33.962126
"941653"	105.531113	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-H+Cl"	33.962126
"279721"	389.169602	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+Cl"	34.969402
"667767"	566.269702	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+Cl"	34.969402
"1281265"	212.069502	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Cl"	34.969402
"30748"	391.148806	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M-2H+K"	36.948606
"462289"	568.248906	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M-2H+K"	36.948606
"834620"	214.048706	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-2H+K"	36.948606
"1557014"	214.048706	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+K-2H"	36.948606
"943072"	222.098294	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-H+HCOOH"	44.998194
"365303"	399.198401	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+HCOOH-H"	44.998201
"346998"	413.214051	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+Hac-H"	59.013851
"1494010"	236.113951	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Hac-H"	59.013851
"958758"	244.080251	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-H+NaCOOH"	66.980151
"118849"	212.069502	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+2Cl"	69.938804
"555128"	300.619552	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+2Cl"	69.938804
"1029396"	123.519452	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2Cl"	69.938804
"1245695"	256.018985	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Br"	78.918885
"1308143"	258.074972	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Cl+HCOOH"	80.974872
"1325639"	280.056929	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Cl+NaCOOH"	102.956829
"914873"	290.085686	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M-H+CF3COOH"	112.985586
"1289755"	326.062364	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Cl+CF3COOH"	148.962264
"1367591"	142.087424	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H-2H2O"	-35.012676
"1383227"	160.0974	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H-H2O"	-17.0027
"286198"	355.207476	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+H"	1.007276
"678983"	532.307576	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+H"	1.007276
"1355696"	178.107376	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H"	1.007276
"127856"	178.107376	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+2H"	2.014552
"568879"	266.657426	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+2H"	2.014552
"1040961"	89.557326	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2H"	2.014552
"207036"	119.074009333333	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+3H"	3.021828
"647324"	178.107376	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+3H"	3.021828
"1164354"	60.0406426666667	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+3H"	3.021828
"426168"	372.234023	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+NH4"	18.033823
"786435"	549.334123	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+NH4"	18.033823
"1695548"	195.133923	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+NH4"	18.033823
"344546"	186.6206495	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+H+NH4"	19.041099
"736967"	275.1706995	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+H+NH4"	19.041099
"1486048"	98.0705995	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H+NH4"	19.041099
"405821"	377.189418	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+Na"	22.989218
"763536"	554.289518	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+Na"	22.989218
"1611631"	200.089318	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Na"	22.989218
"321671"	189.098347	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+H+Na"	23.996494
"720291"	277.648397	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+H+Na"	23.996494
"1476301"	100.548297	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H+Na"	23.996494
"1063347"	67.3679566666667	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2H+Na"	25.00377
"1266119"	210.133586	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+CH3OH+H"	33.033486
"383601"	393.163358	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+K"	38.963158
"751887"	570.263458	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+K"	38.963158
"1551024"	216.063258	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+K"	38.963158
"313550"	197.085317	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+H+K"	39.970434
"705366"	285.635367	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+H+K"	39.970434
"1456634"	108.535267	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H+K"	39.970434
"244143"	396.234026	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+ACN+H"	42.033826
"1217943"	219.133926	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+ACN+H"	42.033826
"1195994"	110.070601	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+ACN+2H"	43.041102
"195788"	399.17136	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+2Na-H"	44.97116
"639724"	576.27146	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+2Na-H"	44.97116
"1137763"	222.07126	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2Na-H"	44.97116
"185426"	200.089318	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+2Na"	45.978436
"624986"	288.639368	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+2Na"	45.978436
"1127032"	111.539268	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2Na"	45.978436
"1407641"	74.6952706666667	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H+2Na"	46.985712
"1436478"	224.112846	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H+HCOOH"	47.012746
"221073"	205.12234	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+3H2O+2H"	56.04448
"1514605"	238.16489	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+IsoProp+H"	61.06479
"417209"	208.076288	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+Na+K"	61.952376
"776379"	296.626338	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+Na+K"	61.952376
"1674535"	119.526238	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Na+K"	61.952376
"261056"	418.215968	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+ACN+Na"	64.015768
"1238879"	241.115868	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+ACN+Na"	64.015768
"1725574"	241.139393	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+NH4+HCOOH"	64.039293
"1189107"	82.0225846666667	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+3Na"	68.967654
"1658998"	246.094788	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Na+HCOOH"	68.994688
"167682"	431.11924	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+2K-H"	76.91904
"606513"	608.21934	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+2K-H"	76.91904
"1097595"	254.01914	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2K-H"	76.91904
"151858"	216.063258	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"2M+2K"	77.926316
"589595"	304.613308	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"3M+2K"	77.926316
"1074108"	127.513208	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2K"	77.926316
"1106225"	256.033692	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2K+H"	78.933592
"1348080"	256.121307	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+DMSO+H"	79.021207
"1021118"	260.160476	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2ACN+H"	83.060376
"1539483"	261.154108	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+IsoProp+Na+H"	84.054008
"1003371"	130.583876	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+2ACN+2H"	84.067652
"1601156"	262.068728	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+K+HCOOH"	84.968628
"1424629"	292.100238	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+H+CF3COOH"	115.000138
"1158197"	151.097151	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+3ACN+2H"	125.094202
"1709933"	309.126785	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+NH4+CF3COOH"	132.026685
"1636837"	314.08218	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+Na+CF3COOH"	136.98208
"1576860"	330.05612	"C16994"	"Anthopleurine"	"C7H15NO4"	"177.1001"	"M+K+CF3COOH"	152.95602
"814885"	270.2559	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M"	0
"977484"	251.23751	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-H2O-H"	-19.01839
"65724"	179.163324	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M-3H"	-3.021828
"511849"	269.248624	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M-3H"	-3.021828
"884183"	89.078024	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-3H"	-3.021828
"8225"	269.248624	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M-2H"	-2.014552
"451069"	404.376574	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M-2H"	-2.014552
"831789"	134.120674	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-2H"	-2.014552
"87768"	539.504524	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M-H"	-1.007276
"534237"	809.760424	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M-H"	-1.007276
"910364"	269.248624	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-H"	-1.007276
"62736"	556.531071	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M-2H+NH4"	16.019271
"502244"	826.786971	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M-2H+NH4"	16.019271
"878707"	286.275171	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-2H+NH4"	16.019271
"45879"	561.486466	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M-2H+Na"	20.974666
"486821"	831.742366	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M-2H+Na"	20.974666
"864188"	291.230566	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-2H+Na"	20.974666
"1633952"	291.230566	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Na-2H"	20.974666
"109539"	287.236963	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M-H+Cl"	33.962126
"549099"	422.364913	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M-H+Cl"	33.962126
"941642"	152.109013	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-H+Cl"	33.962126
"282140"	575.481202	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+Cl"	34.969402
"671157"	845.737102	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+Cl"	34.969402
"1278093"	305.225302	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Cl"	34.969402
"28305"	577.460406	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M-2H+K"	36.948606
"462399"	847.716306	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M-2H+K"	36.948606
"834367"	307.204506	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-2H+K"	36.948606
"1560406"	307.204506	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+K-2H"	36.948606
"942892"	315.254094	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-H+HCOOH"	44.998194
"362376"	585.510001	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+HCOOH-H"	44.998201
"348206"	599.525651	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+Hac-H"	59.013851
"1497039"	329.269751	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Hac-H"	59.013851
"964581"	337.236051	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-H+NaCOOH"	66.980151
"118959"	305.225302	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+2Cl"	69.938804
"556331"	440.353252	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+2Cl"	69.938804
"1030600"	170.097352	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2Cl"	69.938804
"1247992"	349.174785	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Br"	78.918885
"1309346"	351.230772	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Cl+HCOOH"	80.974872
"1325749"	373.212729	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Cl+NaCOOH"	102.956829
"914983"	383.241486	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M-H+CF3COOH"	112.985586
"1289215"	419.218164	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Cl+CF3COOH"	148.962264
"1368025"	235.243224	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H-2H2O"	-35.012676
"1383052"	253.2532	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H-H2O"	-17.0027
"282969"	541.519076	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+H"	1.007276
"675929"	811.774976	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+H"	1.007276
"1352889"	271.263176	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H"	1.007276
"127236"	271.263176	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+2H"	2.014552
"568625"	406.391126	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+2H"	2.014552
"1040343"	136.135226	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2H"	2.014552
"208238"	181.177876	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+3H"	3.021828
"645975"	271.263176	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+3H"	3.021828
"1164100"	91.092576	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+3H"	3.021828
"425547"	558.545623	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+NH4"	18.033823
"785972"	828.801523	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+NH4"	18.033823
"1695295"	288.289723	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+NH4"	18.033823
"343927"	279.7764495	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+H+NH4"	19.041099
"736592"	414.9043995	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+H+NH4"	19.041099
"1486158"	144.6484995	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H+NH4"	19.041099
"399370"	563.501018	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+Na"	22.989218
"763646"	833.756918	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+Na"	22.989218
"1606274"	293.245118	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Na"	22.989218
"318501"	282.254147	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+H+Na"	23.996494
"717485"	417.382097	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+H+Na"	23.996494
"1474953"	147.126197	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H+Na"	23.996494
"1061270"	98.41989	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2H+Na"	25.00377
"1264041"	303.289386	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+CH3OH+H"	33.033486
"382617"	579.474958	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+K"	38.963158
"751269"	849.730858	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+K"	38.963158
"1548947"	309.219058	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+K"	38.963158
"313660"	290.241117	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+H+K"	39.970434
"705840"	425.369067	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+H+K"	39.970434
"1456745"	155.113167	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H+K"	39.970434
"243159"	582.545626	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+ACN+H"	42.033826
"1216960"	312.289726	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+ACN+H"	42.033826
"1195012"	156.648501	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+ACN+2H"	43.041102
"192618"	585.48296	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+2Na-H"	44.97116
"636553"	855.73886	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+2Na-H"	44.97116
"1136779"	315.22706	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2Na-H"	44.97116
"185172"	293.245118	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+2Na"	45.978436
"624731"	428.373068	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+2Na"	45.978436
"1127142"	158.117168	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2Na"	45.978436
"1407751"	105.747204	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H+2Na"	46.985712
"1434765"	317.268646	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H+HCOOH"	47.012746
"221668"	298.27814	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+3H2O+2H"	56.04448
"1515079"	331.32069	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+IsoProp+H"	61.06479
"418412"	301.232088	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+Na+K"	61.952376
"776853"	436.360038	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+Na+K"	61.952376
"1674644"	166.104138	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Na+K"	61.952376
"260073"	604.527568	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+ACN+Na"	64.015768
"1238628"	334.271668	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+ACN+Na"	64.015768
"1726050"	334.295193	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+NH4+HCOOH"	64.039293
"1190310"	113.074518	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+3Na"	68.967654
"1658015"	339.250588	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Na+HCOOH"	68.994688
"167063"	617.43084	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+2K-H"	76.91904
"608447"	887.68674	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+2K-H"	76.91904
"1097705"	347.17494	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2K-H"	76.91904
"154155"	309.219058	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"2M+2K"	77.926316
"592985"	444.347008	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"3M+2K"	77.926316
"1075311"	174.091108	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2K"	77.926316
"1106335"	349.189492	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2K+H"	78.933592
"1347097"	349.277107	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+DMSO+H"	79.021207
"1021178"	353.316276	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2ACN+H"	83.060376
"1539769"	354.309908	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+IsoProp+Na+H"	84.054008
"1003481"	177.161776	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+2ACN+2H"	84.067652
"1599080"	355.224528	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+K+HCOOH"	84.968628
"1424739"	385.256038	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+H+CF3COOH"	115.000138
"1156120"	197.675051	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+3ACN+2H"	125.094202
"1710408"	402.282585	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+NH4+CF3COOH"	132.026685
"1636947"	407.23798	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+Na+CF3COOH"	136.98208
"1578063"	423.21192	"C16995"	"Methyl palmitate"	"C17H34O2"	"270.2559"	"M+K+CF3COOH"	152.95602
"813902"	280.0848	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M"	0
"975407"	261.06641	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-H2O-H"	-19.01839
"65834"	185.715924	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M-3H"	-3.021828
"510866"	279.077524	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M-3H"	-3.021828
"888668"	92.354324	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-3H"	-3.021828
"9428"	279.077524	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M-2H"	-2.014552
"451179"	419.119924	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M-2H"	-2.014552
"831172"	139.035124	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-2H"	-2.014552
"91160"	559.162324	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M-H"	-1.007276
"533930"	839.247124	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M-H"	-1.007276
"911125"	279.077524	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-H"	-1.007276
"61697"	576.188871	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M-2H+NH4"	16.019271
"500530"	856.273671	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M-2H+NH4"	16.019271
"878937"	296.104071	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-2H+NH4"	16.019271
"45868"	581.144266	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M-2H+Na"	20.974666
"486400"	861.229066	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M-2H+Na"	20.974666
"863712"	301.059466	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-2H+Na"	20.974666
"1633611"	301.059466	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Na-2H"	20.974666
"109613"	297.065863	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M-H+Cl"	33.962126
"547630"	437.108263	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M-H+Cl"	33.962126
"940173"	157.023463	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-H+Cl"	33.962126
"280672"	595.139002	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+Cl"	34.969402
"671267"	875.223802	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+Cl"	34.969402
"1278203"	315.054202	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Cl"	34.969402
"25135"	597.118206	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M-2H+K"	36.948606
"456556"	877.203006	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M-2H+K"	36.948606
"832896"	317.033406	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-2H+K"	36.948606
"1558331"	317.033406	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+K-2H"	36.948606
"943009"	325.082994	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-H+HCOOH"	44.998194
"361518"	605.167801	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+HCOOH-H"	44.998201
"345920"	619.183451	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+Hac-H"	59.013851
"1493012"	339.098651	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Hac-H"	59.013851
"965785"	347.064951	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-H+NaCOOH"	66.980151
"114327"	315.054202	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+2Cl"	69.938804
"563732"	455.096602	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+2Cl"	69.938804
"1033988"	175.011802	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2Cl"	69.938804
"1249196"	359.003685	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Br"	78.918885
"1309456"	361.059672	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Cl+HCOOH"	80.974872
"1325859"	383.041629	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Cl+NaCOOH"	102.956829
"914000"	393.070386	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M-H+CF3COOH"	112.985586
"1289978"	429.047064	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Cl+CF3COOH"	148.962264
"1367165"	245.072124	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H-2H2O"	-35.012676
"1383207"	263.0821	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H-H2O"	-17.0027
"283169"	561.176876	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+H"	1.007276
"676652"	841.261676	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+H"	1.007276
"1353726"	281.092076	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H"	1.007276
"128804"	281.092076	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+2H"	2.014552
"569462"	421.134476	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+2H"	2.014552
"1039358"	141.049676	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2H"	2.014552
"207620"	187.730476	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+3H"	3.021828
"649733"	281.092076	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+3H"	3.021828
"1166762"	94.368876	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+3H"	3.021828
"426023"	578.203423	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+NH4"	18.033823
"786653"	858.288223	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+NH4"	18.033823
"1695038"	298.118623	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+NH4"	18.033823
"342580"	289.6053495	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+H+NH4"	19.041099
"734637"	429.6477495	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+H+NH4"	19.041099
"1486268"	149.5629495	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H+NH4"	19.041099
"401666"	583.158818	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+Na"	22.989218
"762662"	863.243618	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+Na"	22.989218
"1606384"	303.074018	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Na"	22.989218
"320797"	292.083047	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+H+Na"	23.996494
"713219"	432.125447	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+H+Na"	23.996494
"1463756"	152.040647	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H+Na"	23.996494
"1054812"	101.69619	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2H+Na"	25.00377
"1263055"	313.118286	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+CH3OH+H"	33.033486
"380538"	599.132758	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+K"	38.963158
"751744"	879.217558	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+K"	38.963158
"1552701"	319.047958	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+K"	38.963158
"309517"	300.070017	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+H+K"	39.970434
"702670"	440.112417	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+H+K"	39.970434
"1452479"	160.027617	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H+K"	39.970434
"239989"	602.203426	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+ACN+H"	42.033826
"1217071"	322.118626	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+ACN+H"	42.033826
"1199859"	161.562951	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+ACN+2H"	43.041102
"196010"	605.14076	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+2Na-H"	44.97116
"643103"	885.22556	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+2Na-H"	44.97116
"1140169"	325.05596	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2Na-H"	44.97116
"185282"	303.074018	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+2Na"	45.978436
"627520"	443.116418	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+2Na"	45.978436
"1123243"	163.031618	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2Na"	45.978436
"1408954"	109.023504	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H+2Na"	46.985712
"1435604"	327.097546	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H+HCOOH"	47.012746
"223114"	308.10704	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+3H2O+2H"	56.04448
"1515554"	341.14959	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+IsoProp+H"	61.06479
"418522"	311.060988	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+Na+K"	61.952376
"776963"	451.103388	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+Na+K"	61.952376
"1675847"	171.018588	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Na+K"	61.952376
"257995"	624.185368	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+ACN+Na"	64.015768
"1232888"	344.100568	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+ACN+Na"	64.015768
"1726890"	344.124093	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+NH4+HCOOH"	64.039293
"1190420"	116.350818	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+3Na"	68.967654
"1658125"	349.079488	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Na+HCOOH"	68.994688
"164986"	637.08864	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+2K-H"	76.91904
"601267"	917.17344	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+2K-H"	76.91904
"1091249"	357.00384	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2K-H"	76.91904
"152443"	319.047958	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"2M+2K"	77.926316
"588721"	459.090358	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"3M+2K"	77.926316
"1075421"	179.005558	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2K"	77.926316
"1108631"	359.018392	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2K+H"	78.933592
"1349393"	359.106007	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+DMSO+H"	79.021207
"1021139"	363.145176	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2ACN+H"	83.060376
"1539581"	364.138808	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+IsoProp+Na+H"	84.054008
"1003957"	182.076226	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+2ACN+2H"	84.067652
"1599190"	365.053428	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+K+HCOOH"	84.968628
"1424850"	395.084938	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+H+CF3COOH"	115.000138
"1158418"	202.589501	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+3ACN+2H"	125.094202
"1710763"	412.111485	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+NH4+CF3COOH"	132.026685
"1639244"	417.06688	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+Na+CF3COOH"	136.98208
"1578173"	433.04082	"C16996"	"Methyl nigakinone"	"C16H12N2O3"	"280.0848"	"M+K+CF3COOH"	152.95602
"814377"	281.1052	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M"	0
"976610"	262.08681	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-H2O-H"	-19.01839
"64363"	186.396190666667	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M-3H"	-3.021828
"510976"	280.097924	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M-3H"	-3.021828
"888778"	92.6944573333333	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-3H"	-3.021828
"9540"	280.097924	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M-2H"	-2.014552
"452385"	420.650524	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M-2H"	-2.014552
"831161"	139.545324	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-2H"	-2.014552
"91270"	561.203124	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M-H"	-1.007276
"533150"	842.308324	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M-H"	-1.007276
"910582"	280.097924	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-H"	-1.007276
"61561"	578.229671	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M-2H+NH4"	16.019271
"501241"	859.334871	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M-2H+NH4"	16.019271
"876007"	297.124471	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-2H+NH4"	16.019271
"44999"	583.185066	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M-2H+Na"	20.974666
"481279"	864.290266	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M-2H+Na"	20.974666
"859082"	302.079866	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-2H+Na"	20.974666
"1628614"	302.079866	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Na-2H"	20.974666
"105871"	298.086263	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M-H+Cl"	33.962126
"544338"	438.638863	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M-H+Cl"	33.962126
"937124"	157.533663	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-H+Cl"	33.962126
"281388"	597.179802	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+Cl"	34.969402
"664816"	878.285002	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+Cl"	34.969402
"1277218"	316.074602	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Cl"	34.969402
"25244"	599.159006	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M-2H+K"	36.948606
"458246"	880.264206	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M-2H+K"	36.948606
"833292"	318.053806	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-2H+K"	36.948606
"1555779"	318.053806	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+K-2H"	36.948606
"943275"	326.103394	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-H+HCOOH"	44.998194
"361978"	607.208601	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+HCOOH-H"	44.998201
"345902"	621.224251	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+Hac-H"	59.013851
"1493476"	340.119051	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Hac-H"	59.013851
"958951"	348.085351	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-H+NaCOOH"	66.980151
"113709"	316.074602	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+2Cl"	69.938804
"563842"	456.627202	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+2Cl"	69.938804
"1035191"	175.522002	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2Cl"	69.938804
"1247117"	360.024085	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Br"	78.918885
"1304828"	362.080072	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Cl+HCOOH"	80.974872
"1322689"	384.062029	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Cl+NaCOOH"	102.956829
"914840"	394.090786	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M-H+CF3COOH"	112.985586
"1290088"	430.067464	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Cl+CF3COOH"	148.962264
"1368371"	246.092524	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H-2H2O"	-35.012676
"1382766"	264.1025	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H-H2O"	-17.0027
"282840"	563.217676	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+H"	1.007276
"675908"	844.322876	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+H"	1.007276
"1351649"	282.112476	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H"	1.007276
"128555"	282.112476	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+2H"	2.014552
"567384"	422.665076	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+2H"	2.014552
"1040197"	141.559876	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2H"	2.014552
"207366"	188.410742666667	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+3H"	3.021828
"646563"	282.112476	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+3H"	3.021828
"1164442"	94.7090093333334	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+3H"	3.021828
"426012"	580.244223	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+NH4"	18.033823
"786032"	861.349423	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+NH4"	18.033823
"1695511"	299.139023	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+NH4"	18.033823
"343054"	290.6257495	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+H+NH4"	19.041099
"736568"	431.1783495	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+H+NH4"	19.041099
"1486378"	150.0731495	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H+NH4"	19.041099
"400683"	585.199618	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+Na"	22.989218
"761679"	866.304818	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+Na"	22.989218
"1606494"	304.094418	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Na"	22.989218
"320907"	293.103447	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+H+Na"	23.996494
"713329"	433.656047	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+H+Na"	23.996494
"1462408"	152.550847	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H+Na"	23.996494
"1054560"	102.036323333333	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2H+Na"	25.00377
"1265352"	314.138686	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+CH3OH+H"	33.033486
"380648"	601.173558	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+K"	38.963158
"751862"	882.278758	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+K"	38.963158
"1554880"	320.068358	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+K"	38.963158
"309627"	301.090417	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+H+K"	39.970434
"703509"	441.643017	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+H+K"	39.970434
"1451496"	160.537817	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H+K"	39.970434
"240099"	604.244226	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+ACN+H"	42.033826
"1219367"	323.139026	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+ACN+H"	42.033826
"1199968"	162.073151	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+ACN+2H"	43.041102
"195028"	607.18156	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+2Na-H"	44.97116
"635681"	888.28676	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+2Na-H"	44.97116
"1141373"	326.07636	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2Na-H"	44.97116
"182476"	304.094418	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+2Na"	45.978436
"627266"	444.647018	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+2Na"	45.978436
"1124446"	163.541818	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2Na"	45.978436
"1409064"	109.363637333333	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H+2Na"	46.985712
"1435714"	328.117946	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H+HCOOH"	47.012746
"222494"	309.12744	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+3H2O+2H"	56.04448
"1512016"	342.16999	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+IsoProp+H"	61.06479
"417539"	312.081388	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+Na+K"	61.952376
"774156"	452.633988	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+Na+K"	61.952376
"1672677"	171.528788	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Na+K"	61.952376
"258105"	626.226168	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+ACN+Na"	64.015768
"1229717"	345.120968	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+ACN+Na"	64.015768
"1725540"	345.144493	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+NH4+HCOOH"	64.039293
"1186156"	116.690951333333	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+3Na"	68.967654
"1656050"	350.099888	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Na+HCOOH"	68.994688
"161816"	639.12944	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+2K-H"	76.91904
"600284"	920.23464	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+2K-H"	76.91904
"1088078"	358.02424	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2K-H"	76.91904
"149271"	320.068358	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"2M+2K"	77.926316
"587739"	460.620958	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"3M+2K"	77.926316
"1072251"	179.515758	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2K"	77.926316
"1108741"	360.038792	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2K+H"	78.933592
"1348409"	360.126407	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+DMSO+H"	79.021207
"1021199"	364.165576	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2ACN+H"	83.060376
"1539445"	365.159208	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+IsoProp+Na+H"	84.054008
"1005407"	182.586426	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+2ACN+2H"	84.067652
"1600394"	366.073828	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+K+HCOOH"	84.968628
"1426054"	396.105338	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+H+CF3COOH"	115.000138
"1160350"	203.099701	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+3ACN+2H"	125.094202
"1712574"	413.131885	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+NH4+CF3COOH"	132.026685
"1639354"	418.08728	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+Na+CF3COOH"	136.98208
"1578283"	434.06122	"C16997"	"Michelalbine"	"C17H15NO3"	"281.1052"	"M+K+CF3COOH"	152.95602
"815218"	661.419	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M"	0
"981095"	642.40061	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-H2O-H"	-19.01839
"68242"	439.938724	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M-3H"	-3.021828
"511086"	660.411724	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M-3H"	-3.021828
"886701"	219.465724	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-3H"	-3.021828
"9650"	660.411724	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M-2H"	-2.014552
"452495"	991.121224	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M-2H"	-2.014552
"832002"	329.702224	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-2H"	-2.014552
"93741"	1321.830724	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M-H"	-1.007276
"533623"	1983.249724	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M-H"	-1.007276
"910819"	660.411724	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-H"	-1.007276
"62153"	1338.857271	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M-2H+NH4"	16.019271
"500136"	2000.276271	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M-2H+NH4"	16.019271
"876118"	677.438271	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-2H+NH4"	16.019271
"42924"	1343.812666	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M-2H+Na"	20.974666
"483579"	2005.231666	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M-2H+Na"	20.974666
"861380"	682.393666	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-2H+Na"	20.974666
"1628726"	682.393666	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Na-2H"	20.974666
"105253"	678.400063	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M-H+Cl"	33.962126
"544812"	1009.109563	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M-H+Cl"	33.962126
"939785"	347.690563	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-H+Cl"	33.962126
"281376"	1357.807402	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+Cl"	34.969402
"664926"	2019.226402	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+Cl"	34.969402
"1278422"	696.388402	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Cl"	34.969402
"19156"	1359.786606	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M-2H+K"	36.948606
"459450"	2021.205606	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M-2H+K"	36.948606
"834335"	698.367606	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-2H+K"	36.948606
"1556849"	698.367606	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+K-2H"	36.948606
"943759"	706.417194	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-H+HCOOH"	44.998194
"362331"	1367.836201	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+HCOOH-H"	44.998201
"346342"	1381.851851	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+Hac-H"	59.013851
"1493342"	720.432851	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Hac-H"	59.013851
"959182"	728.399151	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-H+NaCOOH"	66.980151
"117099"	696.388402	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+2Cl"	69.938804
"564195"	1027.097902	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+2Cl"	69.938804
"1035301"	365.678902	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2Cl"	69.938804
"1247227"	740.337885	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Br"	78.918885
"1309677"	742.393872	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Cl+HCOOH"	80.974872
"1323894"	764.375829	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Cl+NaCOOH"	102.956829
"916044"	774.404586	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M-H+CF3COOH"	112.985586
"1289348"	810.381264	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Cl+CF3COOH"	148.962264
"1369088"	626.406324	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H-2H2O"	-35.012676
"1383212"	644.4163	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H-H2O"	-17.0027
"284084"	1323.845276	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+H"	1.007276
"675894"	1985.264276	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+H"	1.007276
"1351637"	662.426276	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H"	1.007276
"129029"	662.426276	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+2H"	2.014552
"566765"	993.135776	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+2H"	2.014552
"1043590"	331.716776	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2H"	2.014552
"209667"	441.953276	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+3H"	3.021828
"650319"	662.426276	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+3H"	3.021828
"1164070"	221.480276	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+3H"	3.021828
"425638"	1340.871823	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+NH4"	18.033823
"785979"	2002.290823	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+NH4"	18.033823
"1695862"	679.452823	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+NH4"	18.033823
"342800"	670.9395495	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+H+NH4"	19.041099
"733762"	1001.6490495	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+H+NH4"	19.041099
"1485395"	340.2300495	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H+NH4"	19.041099
"398606"	1345.827218	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+Na"	22.989218
"761789"	2007.246218	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+Na"	22.989218
"1607699"	684.408218	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Na"	22.989218
"323206"	673.417247	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+H+Na"	23.996494
"713439"	1004.126747	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+H+Na"	23.996494
"1466165"	342.707747	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H+Na"	23.996494
"1061597"	228.80759	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2H+Na"	25.00377
"1265463"	694.452486	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+CH3OH+H"	33.033486
"384039"	1361.801158	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+K"	38.963158
"754037"	2023.220158	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+K"	38.963158
"1554382"	700.382158	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+K"	38.963158
"309737"	681.404217	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+H+K"	39.970434
"703254"	1012.113717	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+H+K"	39.970434
"1451606"	350.694717	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H+K"	39.970434
"240209"	1364.871826	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+ACN+H"	42.033826
"1217290"	703.452826	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+ACN+H"	42.033826
"1200079"	352.230051	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+ACN+2H"	43.041102
"196231"	1367.80916	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+2Na-H"	44.97116
"633602"	2029.22816	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+2Na-H"	44.97116
"1140390"	706.39016	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2Na-H"	44.97116
"183679"	684.408218	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+2Na"	45.978436
"628221"	1015.117718	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+2Na"	45.978436
"1124556"	353.698718	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2Na"	45.978436
"1409174"	236.134904	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H+2Na"	46.985712
"1438010"	708.431746	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H+HCOOH"	47.012746
"223335"	689.44124	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+3H2O+2H"	56.04448
"1511398"	722.48379	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+IsoProp+H"	61.06479
"418742"	692.395188	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+Na+K"	61.952376
"773902"	1023.104688	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+Na+K"	61.952376
"1672787"	361.685688	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Na+K"	61.952376
"257122"	1386.853768	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+ACN+Na"	64.015768
"1229827"	725.434768	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+ACN+Na"	64.015768
"1726014"	725.458293	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+NH4+HCOOH"	64.039293
"1187361"	243.462218	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+3Na"	68.967654
"1661627"	730.413688	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Na+HCOOH"	68.994688
"167394"	1399.75704	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+2K-H"	76.91904
"600394"	2061.17604	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+2K-H"	76.91904
"1088188"	738.33804	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2K-H"	76.91904
"147195"	700.382158	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"2M+2K"	77.926316
"590036"	1031.091658	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"3M+2K"	77.926316
"1072725"	369.672658	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2K"	77.926316
"1108851"	740.352592	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2K+H"	78.933592
"1350834"	740.440207	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+DMSO+H"	79.021207
"1021068"	744.479376	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2ACN+H"	83.060376
"1539680"	745.473008	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+IsoProp+Na+H"	84.054008
"1005274"	372.743326	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+2ACN+2H"	84.067652
"1600505"	746.387628	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+K+HCOOH"	84.968628
"1425071"	776.419138	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+H+CF3COOH"	115.000138
"1161432"	393.256601	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+3ACN+2H"	125.094202
"1711346"	793.445685	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+NH4+CF3COOH"	132.026685
"1639464"	798.40108	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+Na+CF3COOH"	136.98208
"1575113"	814.37502	"C16998"	"Pavoninin 1"	"C37H59NO9"	"661.419"	"M+K+CF3COOH"	152.95602
"807670"	414.1175	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M"	0
"984485"	395.09911	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-H2O-H"	-19.01839
"70539"	275.071057333333	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M-3H"	-3.021828
"511196"	413.110224	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M-3H"	-3.021828
"888998"	137.031890666667	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-3H"	-3.021828
"6477"	413.110224	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M-2H"	-2.014552
"453695"	620.168974	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M-2H"	-2.014552
"831993"	206.051474	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-2H"	-2.014552
"92466"	827.227724	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M-H"	-1.007276
"533129"	1241.345224	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M-H"	-1.007276
"911172"	413.110224	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-H"	-1.007276
"62606"	844.254271	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M-2H+NH4"	16.019271
"502762"	1258.371771	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M-2H+NH4"	16.019271
"876228"	430.136771	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-2H+NH4"	16.019271
"44126"	849.209666	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M-2H+Na"	20.974666
"487064"	1263.327166	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M-2H+Na"	20.974666
"861490"	435.092166	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-2H+Na"	20.974666
"1632116"	435.092166	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Na-2H"	20.974666
"104271"	431.098563	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M-H+Cl"	33.962126
"546016"	638.157313	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M-H+Cl"	33.962126
"940259"	224.039813	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-H+Cl"	33.962126
"282093"	863.204402	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+Cl"	34.969402
"671597"	1277.321902	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+Cl"	34.969402
"1281812"	449.086902	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Cl"	34.969402
"28745"	865.183606	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M-2H+K"	36.948606
"468305"	1279.301106	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M-2H+K"	36.948606
"837362"	451.066106	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-2H+K"	36.948606
"1557568"	451.066106	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+K-2H"	36.948606
"945452"	459.115694	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-H+HCOOH"	44.998194
"361839"	873.233201	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+HCOOH-H"	44.998201
"346089"	887.248851	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+Hac-H"	59.013851
"1493091"	473.131351	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Hac-H"	59.013851
"958706"	481.097651	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-H+NaCOOH"	66.980151
"117209"	449.086902	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+2Cl"	69.938804
"564305"	656.145652	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+2Cl"	69.938804
"1036799"	242.028152	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2Cl"	69.938804
"1250617"	493.036385	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Br"	78.918885
"1311974"	495.092372	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Cl+HCOOH"	80.974872
"1326558"	517.074329	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Cl+NaCOOH"	102.956829
"918343"	527.103086	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M-H+CF3COOH"	112.985586
"1295050"	563.079764	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Cl+CF3COOH"	148.962264
"1373210"	379.104824	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H-2H2O"	-35.012676
"1383088"	397.1148	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H-H2O"	-17.0027
"288207"	829.242276	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+H"	1.007276
"677345"	1243.359776	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+H"	1.007276
"1352598"	415.124776	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H"	1.007276
"129139"	415.124776	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+2H"	2.014552
"572710"	622.183526	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+2H"	2.014552
"1040783"	208.066026	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2H"	2.014552
"207226"	277.085609333333	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+3H"	3.021828
"646786"	415.124776	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+3H"	3.021828
"1166367"	139.046442666667	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+3H"	3.021828
"425629"	846.268823	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+NH4"	18.033823
"786620"	1260.386323	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+NH4"	18.033823
"1683679"	432.151323	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+NH4"	18.033823
"339263"	423.6380495	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+H+NH4"	19.041099
"737518"	630.6967995	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+H+NH4"	19.041099
"1488786"	216.5792995	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H+NH4"	19.041099
"401998"	851.224218	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+Na"	22.989218
"764087"	1265.341718	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+Na"	22.989218
"1613279"	437.106718	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Na"	22.989218
"327328"	426.115747	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+H+Na"	23.996494
"714645"	633.174497	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+H+Na"	23.996494
"1471743"	219.056997	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H+Na"	23.996494
"1063894"	146.373756666667	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2H+Na"	25.00377
"1266665"	447.150986	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+CH3OH+H"	33.033486
"387430"	867.198158	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+K"	38.963158
"748062"	1281.315658	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+K"	38.963158
"1555262"	453.080658	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+K"	38.963158
"314248"	434.102717	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+H+K"	39.970434
"705188"	641.161467	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+H+K"	39.970434
"1454999"	227.043967	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H+K"	39.970434
"241412"	870.268826	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+ACN+H"	42.033826
"1215578"	456.151326	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+ACN+H"	42.033826
"1201282"	228.579301	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+ACN+2H"	43.041102
"197435"	873.20616	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+2Na-H"	44.97116
"636994"	1287.32366	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+2Na-H"	44.97116
"1141595"	459.08866	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2Na-H"	44.97116
"184884"	437.106718	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+2Na"	45.978436
"625172"	644.165468	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+2Na"	45.978436
"1126854"	230.047968	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2Na"	45.978436
"1410379"	153.701070666667	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H+2Na"	46.985712
"1437028"	461.130246	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H+HCOOH"	47.012746
"224902"	442.13974	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+3H2O+2H"	56.04448
"1513695"	475.18229	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+IsoProp+H"	61.06479
"422132"	445.093688	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+Na+K"	61.952376
"778752"	652.152438	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+Na+K"	61.952376
"1676179"	238.034938	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Na+K"	61.952376
"263794"	892.250768	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+ACN+Na"	64.015768
"1230303"	478.133268	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+ACN+Na"	64.015768
"1726491"	478.156793	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+NH4+HCOOH"	64.039293
"1189659"	161.028384666667	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+3Na"	68.967654
"1662833"	483.112188	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Na+HCOOH"	68.994688
"162404"	905.15404	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+2K-H"	76.91904
"604878"	1319.27154	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+2K-H"	76.91904
"1085258"	491.03654	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2K-H"	76.91904
"147305"	453.080658	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"2M+2K"	77.926316
"587959"	660.139408	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"3M+2K"	77.926316
"1075751"	246.021908	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2K"	77.926316
"1108961"	493.051092	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2K+H"	78.933592
"1350093"	493.138707	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+DMSO+H"	79.021207
"1021056"	497.177876	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2ACN+H"	83.060376
"1538936"	498.171508	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+IsoProp+Na+H"	84.054008
"1004775"	249.092576	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+2ACN+2H"	84.067652
"1600612"	499.086128	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+K+HCOOH"	84.968628
"1424082"	529.117638	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+H+CF3COOH"	115.000138
"1159841"	269.605851	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+3ACN+2H"	125.094202
"1708297"	546.144185	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+NH4+CF3COOH"	132.026685
"1639574"	551.09958	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+Na+CF3COOH"	136.98208
"1575223"	567.07352	"C16999"	"Futalosine"	"C19H18N4O7"	"414.1175"	"M+K+CF3COOH"	152.95602
"816944"	406.1475	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M"	0
"979127"	387.12911	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-H2O-H"	-19.01839
"70649"	269.757724	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M-3H"	-3.021828
"511306"	405.140224	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M-3H"	-3.021828
"888014"	134.375224	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-3H"	-3.021828
"5495"	405.140224	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M-2H"	-2.014552
"443964"	608.213974	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M-2H"	-2.014552
"829421"	202.066474	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-2H"	-2.014552
"92696"	811.287724	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M-H"	-1.007276
"533846"	1217.435224	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M-H"	-1.007276
"911121"	405.140224	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-H"	-1.007276
"62770"	828.314271	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M-2H+NH4"	16.019271
"502423"	1234.461771	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M-2H+NH4"	16.019271
"878525"	422.166771	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-2H+NH4"	16.019271
"46875"	833.269666	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M-2H+Na"	20.974666
"486793"	1239.417166	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M-2H+Na"	20.974666
"864034"	427.122166	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-2H+Na"	20.974666
"1634097"	427.122166	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Na-2H"	20.974666
"109813"	423.128563	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M-H+Cl"	33.962126
"549773"	626.202313	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M-H+Cl"	33.962126
"942395"	220.054813	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-H+Cl"	33.962126
"281473"	847.264402	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+Cl"	34.969402
"671707"	1253.411902	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+Cl"	34.969402
"1280829"	441.116902	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Cl"	34.969402
"28855"	849.243606	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M-2H+K"	36.948606
"468415"	1255.391106	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M-2H+K"	36.948606
"837472"	443.096106	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-2H+K"	36.948606
"1558772"	443.096106	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+K-2H"	36.948606
"948843"	451.145694	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-H+HCOOH"	44.998194
"361407"	857.293201	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+HCOOH-H"	44.998201
"345746"	871.308851	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+Hac-H"	59.013851
"1492831"	465.161351	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Hac-H"	59.013851
"958578"	473.127651	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-H+NaCOOH"	66.980151
"117319"	441.116902	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+2Cl"	69.938804
"563808"	644.190652	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+2Cl"	69.938804
"1036945"	238.043152	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2Cl"	69.938804
"1247447"	485.066385	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Br"	78.918885
"1313178"	487.122372	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Cl+HCOOH"	80.974872
"1328491"	509.104329	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Cl+NaCOOH"	102.956829
"918818"	519.133086	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M-H+CF3COOH"	112.985586
"1295160"	555.109764	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Cl+CF3COOH"	148.962264
"1371134"	371.134824	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H-2H2O"	-35.012676
"1382753"	389.1448	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H-H2O"	-17.0027
"288317"	813.302276	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+H"	1.007276
"675662"	1219.449776	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+H"	1.007276
"1351492"	407.154776	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H"	1.007276
"129613"	407.154776	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+2H"	2.014552
"573913"	610.228526	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+2H"	2.014552
"1047090"	204.081026	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2H"	2.014552
"214991"	271.772276	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+3H"	3.021828
"652364"	407.154776	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+3H"	3.021828
"1166843"	136.389776	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+3H"	3.021828
"427199"	830.328823	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+NH4"	18.033823
"786732"	1236.476323	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+NH4"	18.033823
"1682334"	424.181323	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+NH4"	18.033823
"342291"	415.6680495	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+H+NH4"	19.041099
"737267"	618.7417995	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+H+NH4"	19.041099
"1491448"	212.5942995	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H+NH4"	19.041099
"407942"	835.284218	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+Na"	22.989218
"767113"	1241.431718	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+Na"	22.989218
"1614482"	429.136718	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Na"	22.989218
"329261"	418.145747	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+H+Na"	23.996494
"717307"	621.219497	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+H+Na"	23.996494
"1469667"	215.071997	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H+Na"	23.996494
"1063640"	143.71709	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2H+Na"	25.00377
"1267504"	439.180986	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+CH3OH+H"	33.033486
"386812"	851.258158	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+K"	38.963158
"748172"	1257.405658	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+K"	38.963158
"1553872"	445.110658	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+K"	38.963158
"314130"	426.132717	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+H+K"	39.970434
"705298"	629.206467	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+H+K"	39.970434
"1459118"	223.058967	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H+K"	39.970434
"245897"	854.328826	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+ACN+H"	42.033826
"1215325"	448.181326	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+ACN+H"	42.033826
"1201392"	224.594301	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+ACN+2H"	43.041102
"198638"	857.26616	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+2Na-H"	44.97116
"637104"	1263.41366	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+2Na-H"	44.97116
"1138425"	451.11866	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2Na-H"	44.97116
"182807"	429.136718	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+2Na"	45.978436
"624553"	632.210468	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+2Na"	45.978436
"1126964"	226.062968	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2Na"	45.978436
"1410489"	151.044404	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H+2Na"	46.985712
"1436045"	453.160246	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H+HCOOH"	47.012746
"222826"	434.16974	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+3H2O+2H"	56.04448
"1511618"	467.21229	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+IsoProp+H"	61.06479
"421149"	437.123688	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+Na+K"	61.952376
"777769"	640.197438	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+Na+K"	61.952376
"1676289"	234.049938	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Na+K"	61.952376
"259530"	876.310768	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+ACN+Na"	64.015768
"1229684"	470.163268	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+ACN+Na"	64.015768
"1728334"	470.186793	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+NH4+HCOOH"	64.039293
"1194039"	158.371718	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+3Na"	68.967654
"1665130"	475.142188	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Na+HCOOH"	68.994688
"171992"	889.21404	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+2K-H"	76.91904
"606084"	1295.36154	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+2K-H"	76.91904
"1091688"	483.06654	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2K-H"	76.91904
"149603"	445.110658	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"2M+2K"	77.926316
"589163"	648.184408	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"3M+2K"	77.926316
"1078049"	242.036908	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2K"	77.926316
"1112353"	485.081092	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2K+H"	78.933592
"1351013"	485.168707	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+DMSO+H"	79.021207
"1020682"	489.207876	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2ACN+H"	83.060376
"1539657"	490.201508	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+IsoProp+Na+H"	84.054008
"1005373"	245.107576	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+2ACN+2H"	84.067652
"1601694"	491.116128	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+K+HCOOH"	84.968628
"1424192"	521.147638	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+H+CF3COOH"	115.000138
"1159951"	265.620851	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+3ACN+2H"	125.094202
"1711323"	538.174185	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+NH4+CF3COOH"	132.026685
"1639684"	543.12958	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+Na+CF3COOH"	136.98208
"1575333"	559.10352	"C17000"	"Morroniside"	"C17H26O11"	"406.1475"	"M+K+CF3COOH"	152.95602
"815911"	194.1307	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M"	0
"978144"	175.11231	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-H2O-H"	-19.01839
"67479"	128.413190666667	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M-3H"	-3.021828
"503881"	193.123424	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M-3H"	-3.021828
"880831"	63.7029573333333	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-3H"	-3.021828
"6697"	193.123424	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M-2H"	-2.014552
"442977"	290.188774	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M-2H"	-2.014552
"822967"	96.058074	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-2H"	-2.014552
"91712"	387.254124	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M-H"	-1.007276
"532613"	581.384824	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M-H"	-1.007276
"907985"	193.123424	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-H"	-1.007276
"60171"	404.280671	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M-2H+NH4"	16.019271
"502166"	598.411371	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M-2H+NH4"	16.019271
"879568"	210.149971	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-2H+NH4"	16.019271
"46983"	409.236066	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M-2H+Na"	20.974666
"486458"	603.366766	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M-2H+Na"	20.974666
"863736"	215.105366	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-2H+Na"	20.974666
"1634108"	215.105366	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Na-2H"	20.974666
"109884"	211.111763	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M-H+Cl"	33.962126
"547329"	308.177113	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M-H+Cl"	33.962126
"938657"	114.046413	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-H+Cl"	33.962126
"280490"	423.230802	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+Cl"	34.969402
"671817"	617.361502	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+Cl"	34.969402
"1278752"	229.100102	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Cl"	34.969402
"28965"	425.210006	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M-2H+K"	36.948606
"468525"	619.340706	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M-2H+K"	36.948606
"834301"	231.079306	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-2H+K"	36.948606
"1558881"	231.079306	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+K-2H"	36.948606
"944578"	239.128894	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-H+HCOOH"	44.998194
"361814"	433.259601	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+HCOOH-H"	44.998201
"345942"	447.275251	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+Hac-H"	59.013851
"1494415"	253.144551	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Hac-H"	59.013851
"958669"	261.110851	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-H+NaCOOH"	66.980151
"116336"	229.100102	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+2Cl"	69.938804
"565013"	326.165452	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+2Cl"	69.938804
"1036851"	132.034752	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2Cl"	69.938804
"1246464"	273.049585	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Br"	78.918885
"1313288"	275.105572	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Cl+HCOOH"	80.974872
"1326410"	297.087529	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Cl+NaCOOH"	102.956829
"918564"	307.116286	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M-H+CF3COOH"	112.985586
"1294177"	343.092964	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Cl+CF3COOH"	148.962264
"1369057"	159.118024	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H-2H2O"	-35.012676
"1383391"	177.128	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H-H2O"	-17.0027
"286240"	389.268676	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+H"	1.007276
"675897"	583.399376	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+H"	1.007276
"1351372"	195.137976	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H"	1.007276
"126440"	195.137976	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+2H"	2.014552
"575116"	292.203326	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+2H"	2.014552
"1047200"	98.072626	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2H"	2.014552
"208540"	130.427742666667	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+3H"	3.021828
"655754"	195.137976	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+3H"	3.021828
"1168412"	65.7175093333333	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+3H"	3.021828
"427674"	406.295223	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+NH4"	18.033823
"787937"	600.425923	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+NH4"	18.033823
"1682441"	212.164523	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+NH4"	18.033823
"342037"	203.6512495	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+H+NH4"	19.041099
"737377"	300.7165995	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+H+NH4"	19.041099
"1489735"	106.5858995	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H+NH4"	19.041099
"406230"	411.250618	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+Na"	22.989218
"766494"	605.381318	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+Na"	22.989218
"1612406"	217.119918	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Na"	22.989218
"327914"	206.128947	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+H+Na"	23.996494
"716688"	303.194297	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+H+Na"	23.996494
"1469777"	109.063597	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H+Na"	23.996494
"1063750"	73.0448233333333	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2H+Na"	25.00377
"1267978"	227.164186	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+CH3OH+H"	33.033486
"388015"	427.224558	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+K"	38.963158
"748646"	621.355258	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+K"	38.963158
"1551065"	233.093858	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+K"	38.963158
"313640"	214.115917	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+H+K"	39.970434
"705776"	311.181267	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+H+K"	39.970434
"1459231"	117.050567	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H+K"	39.970434
"245643"	430.295226	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+ACN+H"	42.033826
"1215435"	236.164526	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+ACN+H"	42.033826
"1202231"	118.585901	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+ACN+2H"	43.041102
"196561"	433.23256	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+2Na-H"	44.97116
"639038"	627.36326	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+2Na-H"	44.97116
"1140721"	239.10186	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2Na-H"	44.97116
"186199"	217.119918	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+2Na"	45.978436
"624663"	314.185268	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+2Na"	45.978436
"1127074"	120.054568	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2Na"	45.978436
"1411328"	80.3721373333333	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H+2Na"	46.985712
"1437249"	241.143446	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H+HCOOH"	47.012746
"222205"	222.15294	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+3H2O+2H"	56.04448
"1510270"	255.19549	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+IsoProp+H"	61.06479
"409952"	225.106888	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+Na+K"	61.952376
"776786"	322.172238	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+Na+K"	61.952376
"1676035"	128.041538	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Na+K"	61.952376
"259640"	452.277168	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+ACN+Na"	64.015768
"1229794"	258.146468	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+ACN+Na"	64.015768
"1728131"	258.169993	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+NH4+HCOOH"	64.039293
"1193159"	87.6994513333333	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+3Na"	68.967654
"1665535"	263.125388	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Na+HCOOH"	68.994688
"172469"	465.18044	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+2K-H"	76.91904
"608380"	659.31114	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+2K-H"	76.91904
"1093988"	271.04974	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2K-H"	76.91904
"155180"	233.093858	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"2M+2K"	77.926316
"589273"	330.159208	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"3M+2K"	77.926316
"1077066"	136.028508	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2K"	77.926316
"1111370"	273.064292	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2K+H"	78.933592
"1351042"	273.151907	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+DMSO+H"	79.021207
"1021331"	277.191076	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2ACN+H"	83.060376
"1539715"	278.184708	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+IsoProp+Na+H"	84.054008
"1005526"	139.099176	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+2ACN+2H"	84.067652
"1600831"	279.099328	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+K+HCOOH"	84.968628
"1424302"	309.130838	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+H+CF3COOH"	115.000138
"1160060"	159.612451	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+3ACN+2H"	125.094202
"1711797"	326.157385	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+NH4+CF3COOH"	132.026685
"1637607"	331.11278	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+Na+CF3COOH"	136.98208
"1578723"	347.08672	"C17002"	"Neocnidilide"	"C12H18O2"	"194.1307"	"M+K+CF3COOH"	152.95602
"816669"	432.324	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M"	0
"982627"	413.30561	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-H2O-H"	-19.01839
"70869"	287.208724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M-3H"	-3.021828
"503870"	431.316724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M-3H"	-3.021828
"880333"	143.100724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-3H"	-3.021828
"3527"	431.316724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M-2H"	-2.014552
"443087"	647.478724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M-2H"	-2.014552
"824170"	215.154724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-2H"	-2.014552
"87446"	863.640724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M-H"	-1.007276
"524820"	1295.964724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M-H"	-1.007276
"900065"	431.316724	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-H"	-1.007276
"55901"	880.667271	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M-2H+NH4"	16.019271
"498744"	1312.991271	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M-2H+NH4"	16.019271
"879467"	448.343271	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-2H+NH4"	16.019271
"45303"	885.622666	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M-2H+Na"	20.974666
"485963"	1317.946666	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M-2H+Na"	20.974666
"862422"	453.298666	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-2H+Na"	20.974666
"1634026"	453.298666	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Na-2H"	20.974666
"109336"	449.305063	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M-H+Cl"	33.962126
"549750"	665.467063	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M-H+Cl"	33.962126
"942050"	233.143063	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-H+Cl"	33.962126
"281817"	899.617402	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+Cl"	34.969402
"671927"	1331.941402	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+Cl"	34.969402
"1278862"	467.293402	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Cl"	34.969402
"28954"	901.596606	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M-2H+K"	36.948606
"468635"	1333.920606	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M-2H+K"	36.948606
"840970"	469.272606	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-2H+K"	36.948606
"1556196"	469.272606	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+K-2H"	36.948606
"945781"	477.322194	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-H+HCOOH"	44.998194
"361557"	909.646201	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+HCOOH-H"	44.998201
"345687"	923.661851	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+Hac-H"	59.013851
"1492829"	491.337851	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Hac-H"	59.013851
"958640"	499.304151	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-H+NaCOOH"	66.980151
"114259"	467.293402	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+2Cl"	69.938804
"562934"	683.455402	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+2Cl"	69.938804
"1036757"	251.131402	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2Cl"	69.938804
"1246574"	511.242885	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Br"	78.918885
"1310118"	513.298872	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Cl+HCOOH"	80.974872
"1326520"	535.280829	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Cl+NaCOOH"	102.956829
"916485"	545.309586	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M-H+CF3COOH"	112.985586
"1296475"	581.286264	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Cl+CF3COOH"	148.962264
"1370262"	397.311324	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H-2H2O"	-35.012676
"1384476"	415.3213	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H-H2O"	-17.0027
"283796"	865.655276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+H"	1.007276
"675844"	1297.979276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+H"	1.007276
"1353286"	433.331276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H"	1.007276
"126180"	433.331276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+2H"	2.014552
"575226"	649.493276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+2H"	2.014552
"1047310"	217.169276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2H"	2.014552
"206827"	289.223276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+3H"	3.021828
"649668"	433.331276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+3H"	3.021828
"1167427"	145.115276	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+3H"	3.021828
"426689"	882.681823	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+NH4"	18.033823
"786953"	1315.005823	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+NH4"	18.033823
"1681494"	450.357823	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+NH4"	18.033823
"341778"	441.8445495	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+H+NH4"	19.041099
"737123"	658.0065495	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+H+NH4"	19.041099
"1489844"	225.6825495	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H+NH4"	19.041099
"405976"	887.637218	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+Na"	22.989218
"766240"	1319.961218	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+Na"	22.989218
"1612516"	455.313218	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Na"	22.989218
"326565"	444.322247	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+H+Na"	23.996494
"716434"	660.484247	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+H+Na"	23.996494
"1471345"	228.160247	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H+Na"	23.996494
"1063132"	152.44259	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2H+Na"	25.00377
"1268088"	465.357486	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+CH3OH+H"	33.033486
"388125"	903.611158	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+K"	38.963158
"750215"	1335.935158	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+K"	38.963158
"1551904"	471.287158	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+K"	38.963158
"313220"	452.309217	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+H+K"	39.970434
"705400"	668.471217	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+H+K"	39.970434
"1459341"	236.147217	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H+K"	39.970434
"245753"	906.681826	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+ACN+H"	42.033826
"1216638"	474.357826	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+ACN+H"	42.033826
"1201613"	237.682551	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+ACN+2H"	43.041102
"197764"	909.61916	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+2Na-H"	44.97116
"642064"	1341.94316	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+2Na-H"	44.97116
"1145940"	477.29516	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2Na-H"	44.97116
"187405"	455.313218	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+2Na"	45.978436
"625139"	671.475218	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+2Na"	45.978436
"1128277"	239.151218	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2Na"	45.978436
"1410709"	159.769904	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H+2Na"	46.985712
"1440638"	479.336746	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H+HCOOH"	47.012746
"223774"	460.34624	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+3H2O+2H"	56.04448
"1511109"	493.38879	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+IsoProp+H"	61.06479
"411885"	463.300188	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+Na+K"	61.952376
"777989"	679.462188	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+Na+K"	61.952376
"1675417"	247.138188	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Na+K"	61.952376
"259386"	928.663768	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+ACN+Na"	64.015768
"1229904"	496.339768	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+ACN+Na"	64.015768
"1728377"	496.363293	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+NH4+HCOOH"	64.039293
"1193635"	167.097218	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+3Na"	68.967654
"1665397"	501.318688	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Na+HCOOH"	68.994688
"172543"	941.56704	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+2K-H"	76.91904
"610677"	1373.89104	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+2K-H"	76.91904
"1094098"	509.24304	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2K-H"	76.91904
"149820"	471.287158	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"2M+2K"	77.926316
"589383"	687.449158	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"3M+2K"	77.926316
"1071343"	255.125158	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2K"	77.926316
"1112573"	511.257592	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2K+H"	78.933592
"1350990"	511.345207	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+DMSO+H"	79.021207
"1021182"	515.384376	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2ACN+H"	83.060376
"1539143"	516.378008	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+IsoProp+Na+H"	84.054008
"1004864"	258.195826	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+2ACN+2H"	84.067652
"1602159"	517.292628	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+K+HCOOH"	84.968628
"1424412"	547.324138	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+H+CF3COOH"	115.000138
"1161993"	278.709101	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+3ACN+2H"	125.094202
"1711907"	564.350685	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+NH4+CF3COOH"	132.026685
"1637716"	569.30608	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+Na+CF3COOH"	136.98208
"1575553"	585.28002	"C17003"	"Neogitogenin"	"C27H44O4"	"432.324"	"M+K+CF3COOH"	152.95602
"816738"	392.2231	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M"	0
"978364"	373.20471	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-H2O-H"	-19.01839
"70979"	260.474790666667	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M-3H"	-3.021828
"508354"	391.215824	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M-3H"	-3.021828
"881782"	129.733757333333	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-3H"	-3.021828
"3638"	391.215824	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M-2H"	-2.014552
"444290"	587.327374	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M-2H"	-2.014552
"824280"	195.104274	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-2H"	-2.014552
"88649"	783.438924	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M-H"	-1.007276
"527116"	1175.662024	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M-H"	-1.007276
"901636"	391.215824	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-H"	-1.007276
"58197"	800.465471	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M-2H+NH4"	16.019271
"500799"	1192.688571	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M-2H+NH4"	16.019271
"879094"	408.242371	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-2H+NH4"	16.019271
"45169"	805.420866	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M-2H+Na"	20.974666
"485948"	1197.643966	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M-2H+Na"	20.974666
"863140"	413.197766	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-2H+Na"	20.974666
"1633162"	413.197766	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Na-2H"	20.974666
"107622"	409.204163	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M-H+Cl"	33.962126
"548641"	605.315713	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M-H+Cl"	33.962126
"941429"	213.092613	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-H+Cl"	33.962126
"281807"	819.415602	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+Cl"	34.969402
"672037"	1211.638702	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+Cl"	34.969402
"1275692"	427.192502	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Cl"	34.969402
"25905"	821.394806	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M-2H+K"	36.948606
"465465"	1213.617906	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M-2H+K"	36.948606
"838893"	429.171706	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-2H+K"	36.948606
"1559099"	429.171706	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+K-2H"	36.948606
"946985"	437.221294	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-H+HCOOH"	44.998194
"362039"	829.444401	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+HCOOH-H"	44.998201
"346652"	843.460051	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+Hac-H"	59.013851
"1493412"	451.236951	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Hac-H"	59.013851
"958807"	459.203251	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-H+NaCOOH"	66.980151
"114369"	427.192502	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+2Cl"	69.938804
"563772"	623.304052	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+2Cl"	69.938804
"1032571"	231.080952	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2Cl"	69.938804
"1244497"	471.141985	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Br"	78.918885
"1309135"	473.197972	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Cl+HCOOH"	80.974872
"1327723"	495.179929	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Cl+NaCOOH"	102.956829
"917688"	505.208686	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M-H+CF3COOH"	112.985586
"1296585"	541.185364	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Cl+CF3COOH"	148.962264
"1374745"	357.210424	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H-2H2O"	-35.012676
"1385679"	375.2204	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H-H2O"	-17.0027
"284637"	785.453476	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+H"	1.007276
"675914"	1177.676576	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+H"	1.007276
"1352667"	393.230376	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H"	1.007276
"126659"	393.230376	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+2H"	2.014552
"575336"	589.341926	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+2H"	2.014552
"1047420"	197.118826	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2H"	2.014552
"208760"	262.489342666667	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+3H"	3.021828
"650507"	393.230376	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+3H"	3.021828
"1165350"	131.748309333333	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+3H"	3.021828
"427529"	802.480023	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+NH4"	18.033823
"788523"	1194.703123	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+NH4"	18.033823
"1681688"	410.256923	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+NH4"	18.033823
"340795"	401.7436495	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+H+NH4"	19.041099
"737233"	597.8551995	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+H+NH4"	19.041099
"1491048"	205.6320995	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H+NH4"	19.041099
"407910"	807.435418	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+Na"	22.989218
"767808"	1199.658518	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+Na"	22.989218
"1615177"	415.212318	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Na"	22.989218
"325946"	404.221347	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+H+Na"	23.996494
"718731"	600.332897	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+H+Na"	23.996494
"1472183"	208.109797	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H+Na"	23.996494
"1064335"	139.075623333333	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2H+Na"	25.00377
"1267471"	425.256586	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+CH3OH+H"	33.033486
"389694"	823.409358	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+K"	38.963158
"750689"	1215.632458	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+K"	38.963158
"1552742"	431.186258	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+K"	38.963158
"313454"	412.208317	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+H+K"	39.970434
"706115"	608.319867	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+H+K"	39.970434
"1457261"	216.096767	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H+K"	39.970434
"244040"	826.480026	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+ACN+H"	42.033826
"1217841"	434.256926	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+ACN+H"	42.033826
"1202816"	217.632101	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+ACN+2H"	43.041102
"196780"	829.41736	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+2Na-H"	44.97116
"639986"	1221.64046	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+2Na-H"	44.97116
"1145679"	437.19426	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2Na-H"	44.97116
"187392"	415.212318	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+2Na"	45.978436
"626341"	611.323868	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+2Na"	45.978436
"1126200"	219.100768	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2Na"	45.978436
"1408631"	146.402937333333	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H+2Na"	46.985712
"1438562"	439.235846	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H+HCOOH"	47.012746
"224612"	420.24534	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+3H2O+2H"	56.04448
"1513039"	453.28789	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+IsoProp+H"	61.06479
"412358"	423.199288	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+Na+K"	61.952376
"778099"	619.310838	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+Na+K"	61.952376
"1676617"	227.087738	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Na+K"	61.952376
"262047"	848.461968	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+ACN+Na"	64.015768
"1231836"	456.238868	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+ACN+Na"	64.015768
"1726933"	456.262393	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+NH4+HCOOH"	64.039293
"1193753"	153.730251333333	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+3Na"	68.967654
"1664738"	461.217788	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Na+HCOOH"	68.994688
"172204"	861.36524	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+2K-H"	76.91904
"611638"	1253.58834	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+2K-H"	76.91904
"1097368"	469.14214	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2K-H"	76.91904
"152118"	431.186258	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"2M+2K"	77.926316
"592774"	627.297808	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"3M+2K"	77.926316
"1072182"	235.074708	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2K"	77.926316
"1112683"	471.156692	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2K+H"	78.933592
"1351020"	471.244307	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+DMSO+H"	79.021207
"1020525"	475.283476	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2ACN+H"	83.060376
"1536821"	476.277108	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+IsoProp+Na+H"	84.054008
"1003879"	238.145376	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+2ACN+2H"	84.067652
"1602718"	477.191728	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+K+HCOOH"	84.968628
"1424522"	507.223238	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+H+CF3COOH"	115.000138
"1162106"	258.658651	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+3ACN+2H"	125.094202
"1711775"	524.249785	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+NH4+CF3COOH"	132.026685
"1637826"	529.20518	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+Na+CF3COOH"	136.98208
"1575663"	545.17912	"C17004"	"Kalihinol A"	"C22H33ClN2O2"	"392.2231"	"M+K+CF3COOH"	152.95602
"816564"	348.1725	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M"	0
"978473"	329.15411	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-H2O-H"	-19.01839
"67807"	231.107724	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M-3H"	-3.021828
"505548"	347.165224	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M-3H"	-3.021828
"882256"	115.050224	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-3H"	-3.021828
"3748"	347.165224	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M-2H"	-2.014552
"442212"	521.251474	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M-2H"	-2.014552
"820017"	173.078974	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-2H"	-2.014552
"82196"	695.337724	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M-H"	-1.007276
"526133"	1043.510224	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M-H"	-1.007276
"900652"	347.165224	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-H"	-1.007276
"55027"	712.364271	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M-2H+NH4"	16.019271
"501151"	1060.536771	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M-2H+NH4"	16.019271
"876768"	364.191771	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-2H+NH4"	16.019271
"45763"	717.319666	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M-2H+Na"	20.974666
"486629"	1065.492166	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M-2H+Na"	20.974666
"863127"	369.147166	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-2H+Na"	20.974666
"1632659"	369.147166	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Na-2H"	20.974666
"109068"	365.153563	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M-H+Cl"	33.962126
"549482"	539.239813	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M-H+Cl"	33.962126
"942391"	191.067313	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-H+Cl"	33.962126
"282404"	731.314402	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+Cl"	34.969402
"665586"	1079.486902	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+Cl"	34.969402
"1273736"	383.141902	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Cl"	34.969402
"22734"	733.293606	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M-2H+K"	36.948606
"465575"	1081.466106	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M-2H+K"	36.948606
"839003"	385.121106	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-2H+K"	36.948606
"1558116"	385.121106	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+K-2H"	36.948606
"951469"	393.170694	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-H+HCOOH"	44.998194
"362028"	741.343201	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+HCOOH-H"	44.998201
"348465"	755.358851	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+Hac-H"	59.013851
"1492916"	407.186351	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Hac-H"	59.013851
"958632"	415.152651	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-H+NaCOOH"	66.980151
"113386"	383.141902	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+2Cl"	69.938804
"563882"	557.228152	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+2Cl"	69.938804
"1032681"	209.055652	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2Cl"	69.938804
"1248982"	427.091385	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Br"	78.918885
"1309610"	429.147372	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Cl+HCOOH"	80.974872
"1323823"	451.129329	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Cl+NaCOOH"	102.956829
"914882"	461.158086	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M-H+CF3COOH"	112.985586
"1301071"	497.134764	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Cl+CF3COOH"	148.962264
"1375950"	313.159824	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H-2H2O"	-35.012676
"1388341"	331.1698	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H-H2O"	-17.0027
"287663"	697.352276	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+H"	1.007276
"678262"	1045.524776	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+H"	1.007276
"1352049"	349.179776	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H"	1.007276
"126767"	349.179776	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+2H"	2.014552
"567424"	523.266026	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+2H"	2.014552
"1047166"	175.093526	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2H"	2.014552
"208870"	233.122276	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+3H"	3.021828
"650617"	349.179776	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+3H"	3.021828
"1166553"	117.064776	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+3H"	3.021828
"427639"	714.378823	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+NH4"	18.033823
"788268"	1062.551323	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+NH4"	18.033823
"1681677"	366.206323	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+NH4"	18.033823
"341998"	357.6930495	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+H+NH4"	19.041099
"737707"	531.7792995	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+H+NH4"	19.041099
"1491159"	183.6067995	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H+NH4"	19.041099
"406560"	719.334218	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+Na"	22.989218
"768281"	1067.506718	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+Na"	22.989218
"1616744"	371.161718	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Na"	22.989218
"327147"	360.170747	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+H+Na"	23.996494
"718474"	534.256997	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+H+Na"	23.996494
"1470106"	186.084497	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H+Na"	23.996494
"1063716"	124.39209	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2H+Na"	25.00377
"1266122"	381.205986	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+CH3OH+H"	33.033486
"390168"	735.308158	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+K"	38.963158
"751163"	1083.480658	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+K"	38.963158
"1554309"	387.135658	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+K"	38.963158
"314134"	368.157717	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+H+K"	39.970434
"703912"	542.243967	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+H+K"	39.970434
"1457371"	194.071467	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H+K"	39.970434
"244150"	738.378826	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+ACN+H"	42.033826
"1219043"	390.206326	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+ACN+H"	42.033826
"1200740"	195.606801	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+ACN+2H"	43.041102
"199442"	741.31616	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+2Na-H"	44.97116
"640460"	1089.48866	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+2Na-H"	44.97116
"1144695"	393.14366	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2Na-H"	44.97116
"185069"	371.161718	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+2Na"	45.978436
"627424"	545.247968	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+2Na"	45.978436
"1126310"	197.075468	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2Na"	45.978436
"1410928"	131.719404	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H+2Na"	46.985712
"1440858"	395.185246	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H+HCOOH"	47.012746
"224358"	376.19474	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+3H2O+2H"	56.04448
"1512785"	409.23729	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+IsoProp+H"	61.06479
"412103"	379.148688	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+Na+K"	61.952376
"778209"	553.234938	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+Na+K"	61.952376
"1676727"	205.062438	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Na+K"	61.952376
"261062"	760.360768	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+ACN+Na"	64.015768
"1231217"	412.188268	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+ACN+Na"	64.015768
"1724855"	412.211793	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+NH4+HCOOH"	64.039293
"1193126"	139.046718	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+3Na"	68.967654
"1664846"	417.167188	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Na+HCOOH"	68.994688
"172191"	773.26404	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+2K-H"	76.91904
"610533"	1121.43654	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+2K-H"	76.91904
"1097478"	425.09154	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2K-H"	76.91904
"152228"	387.135658	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"2M+2K"	77.926316
"592884"	561.221908	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"3M+2K"	77.926316
"1071928"	213.049408	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2K"	77.926316
"1112793"	427.106092	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2K+H"	78.933592
"1350767"	427.193707	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+DMSO+H"	79.021207
"1019781"	431.232876	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2ACN+H"	83.060376
"1536931"	432.226508	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+IsoProp+Na+H"	84.054008
"1005082"	216.120076	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+2ACN+2H"	84.067652
"1602380"	433.141128	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+K+HCOOH"	84.968628
"1424632"	463.172638	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+H+CF3COOH"	115.000138
"1162216"	236.633351	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+3ACN+2H"	125.094202
"1703379"	480.199185	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+NH4+CF3COOH"	132.026685
"1636843"	485.15458	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+Na+CF3COOH"	136.98208
"1579053"	501.12852	"C17005"	"Callytriol C"	"C23H24O3"	"348.1725"	"M+K+CF3COOH"	152.95602
"815621"	263.1708	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M"	0
"981863"	244.15241	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-H2O-H"	-19.01839
"67917"	174.439924	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M-3H"	-3.021828
"508574"	262.163524	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M-3H"	-3.021828
"884189"	86.716324	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-3H"	-3.021828
"7138"	262.163524	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M-2H"	-2.014552
"442324"	393.748924	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M-2H"	-2.014552
"817940"	130.578124	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-2H"	-2.014552
"78902"	525.334324	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M-H"	-1.007276
"525147"	788.505124	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M-H"	-1.007276
"900762"	262.163524	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-H"	-1.007276
"56230"	542.360871	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M-2H+NH4"	16.019271
"499074"	805.531671	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M-2H+NH4"	16.019271
"872499"	279.190071	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-2H+NH4"	16.019271
"44413"	547.316266	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M-2H+Na"	20.974666
"481056"	810.487066	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M-2H+Na"	20.974666
"858861"	284.145466	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-2H+Na"	20.974666
"1630579"	284.145466	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Na-2H"	20.974666
"104924"	280.151863	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M-H+Cl"	33.962126
"546670"	411.737263	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M-H+Cl"	33.962126
"942009"	148.566463	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-H+Cl"	33.962126
"282026"	561.311002	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+Cl"	34.969402
"665696"	824.481802	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+Cl"	34.969402
"1275912"	298.140202	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Cl"	34.969402
"19562"	563.290206	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M-2H+K"	36.948606
"459123"	826.461006	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M-2H+K"	36.948606
"840206"	300.119406	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-2H+K"	36.948606
"1558590"	300.119406	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+K-2H"	36.948606
"951579"	308.168994	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-H+HCOOH"	44.998194
"365420"	571.339801	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+HCOOH-H"	44.998201
"348211"	585.355451	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+Hac-H"	59.013851
"1493396"	322.184651	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Hac-H"	59.013851
"958745"	330.150951	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-H+NaCOOH"	66.980151
"113496"	298.140202	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+2Cl"	69.938804
"557430"	429.725602	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+2Cl"	69.938804
"1032791"	166.554802	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2Cl"	69.938804
"1246902"	342.089685	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Br"	78.918885
"1311542"	344.145672	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Cl+HCOOH"	80.974872
"1323204"	366.127629	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Cl+NaCOOH"	102.956829
"914992"	376.156386	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M-H+CF3COOH"	112.985586
"1300452"	412.133064	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Cl+CF3COOH"	148.962264
"1376060"	228.158124	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H-2H2O"	-35.012676
"1389544"	246.1681	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H-H2O"	-17.0027
"288866"	527.348876	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+H"	1.007276
"679101"	790.519676	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+H"	1.007276
"1351920"	264.178076	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H"	1.007276
"126512"	264.178076	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+2H"	2.014552
"566806"	395.763476	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+2H"	2.014552
"1046912"	132.592676	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2H"	2.014552
"208980"	176.454476	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+3H"	3.021828
"645623"	264.178076	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+3H"	3.021828
"1165570"	88.730876	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+3H"	3.021828
"428842"	544.375423	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+NH4"	18.033823
"787285"	807.546223	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+NH4"	18.033823
"1682881"	281.204623	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+NH4"	18.033823
"342108"	272.6913495	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+H+NH4"	19.041099
"737087"	404.2767495	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+H+NH4"	19.041099
"1490904"	141.1059495	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H+NH4"	19.041099
"406671"	549.330818	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+Na"	22.989218
"765839"	812.501618	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+Na"	22.989218
"1615031"	286.160018	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Na"	22.989218
"327257"	275.169047	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+H+Na"	23.996494
"716398"	406.754447	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+H+Na"	23.996494
"1469123"	143.583647	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H+Na"	23.996494
"1063826"	96.05819	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2H+Na"	25.00377
"1264046"	296.204286	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+CH3OH+H"	33.033486
"391371"	565.304758	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+K"	38.963158
"747992"	828.475558	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+K"	38.963158
"1554299"	302.133958	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+K"	38.963158
"313055"	283.156017	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+H+K"	39.970434
"706820"	414.741417	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+H+K"	39.970434
"1459302"	151.570617	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H+K"	39.970434
"245353"	568.375426	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+ACN+H"	42.033826
"1218059"	305.204626	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+ACN+H"	42.033826
"1200850"	153.105951	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+ACN+2H"	43.041102
"195906"	571.31276	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+2Na-H"	44.97116
"637654"	834.48356	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+2Na-H"	44.97116
"1143346"	308.14196	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2Na-H"	44.97116
"185178"	286.160018	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+2Na"	45.978436
"624010"	417.745418	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+2Na"	45.978436
"1126420"	154.574618	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2Na"	45.978436
"1408851"	103.385504	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H+2Na"	46.985712
"1439872"	310.183546	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H+HCOOH"	47.012746
"231755"	291.19304	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+3H2O+2H"	56.04448
"1512166"	324.23559	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+IsoProp+H"	61.06479
"410390"	294.146988	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+Na+K"	61.952376
"777226"	425.732388	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+Na+K"	61.952376
"1669543"	162.561588	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Na+K"	61.952376
"254970"	590.357368	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+ACN+Na"	64.015768
"1229870"	327.186568	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+ACN+Na"	64.015768
"1727152"	327.210093	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+NH4+HCOOH"	64.039293
"1193966"	110.712818	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+3Na"	68.967654
"1665451"	332.165488	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Na+HCOOH"	68.994688
"171813"	603.26064	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+2K-H"	76.91904
"610643"	866.43144	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+2K-H"	76.91904
"1097588"	340.08984	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2K-H"	76.91904
"154525"	302.133958	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"2M+2K"	77.926316
"597078"	433.719358	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"3M+2K"	77.926316
"1074224"	170.548558	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2K"	77.926316
"1112903"	342.104392	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2K+H"	78.933592
"1351241"	342.192007	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+DMSO+H"	79.021207
"1020740"	346.231176	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2ACN+H"	83.060376
"1538135"	347.224808	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+IsoProp+Na+H"	84.054008
"1005072"	173.619226	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+2ACN+2H"	84.067652
"1602679"	348.139428	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+K+HCOOH"	84.968628
"1424742"	378.170938	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+H+CF3COOH"	115.000138
"1161477"	194.132501	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+3ACN+2H"	125.094202
"1705676"	395.197485	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+NH4+CF3COOH"	132.026685
"1641327"	400.15288	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+Na+CF3COOH"	136.98208
"1578070"	416.12682	"C17007"	"Axisothiocyanate 3"	"C16H25NS"	"263.1708"	"M+K+CF3COOH"	152.95602
"815001"	503.273	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M"	0
"978692"	484.25461	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-H2O-H"	-19.01839
"66204"	334.508057333333	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M-3H"	-3.021828
"504673"	502.265724	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M-3H"	-3.021828
"885393"	166.750390666667	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-3H"	-3.021828
"5061"	502.265724	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M-2H"	-2.014552
"441340"	753.902224	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M-2H"	-2.014552
"819143"	250.629224	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-2H"	-2.014552
"79499"	1005.538724	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M-H"	-1.007276
"523070"	1508.811724	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M-H"	-1.007276
"901965"	502.265724	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-H"	-1.007276
"56340"	1022.565271	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M-2H+NH4"	16.019271
"496997"	1525.838271	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M-2H+NH4"	16.019271
"873702"	519.292271	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-2H+NH4"	16.019271
"41607"	1027.520666	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M-2H+Na"	20.974666
"479708"	1530.793666	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M-2H+Na"	20.974666
"856781"	524.247666	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-2H+Na"	20.974666
"1625220"	524.247666	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Na-2H"	20.974666
"101749"	520.254063	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M-H+Cl"	33.962126
"539122"	771.890563	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M-H+Cl"	33.962126
"937015"	268.617563	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-H+Cl"	33.962126
"275571"	1041.515402	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+Cl"	34.969402
"665806"	1544.788402	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+Cl"	34.969402
"1276022"	538.242402	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Cl"	34.969402
"16393"	1043.494606	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M-2H+K"	36.948606
"461420"	1546.767606	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M-2H+K"	36.948606
"833754"	540.221606	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-2H+K"	36.948606
"1556878"	540.221606	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+K-2H"	36.948606
"944762"	548.271194	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-H+HCOOH"	44.998194
"364071"	1051.544201	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+HCOOH-H"	44.998201
"345884"	1065.559851	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+Hac-H"	59.013851
"1493744"	562.286851	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Hac-H"	59.013851
"958817"	570.253151	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-H+NaCOOH"	66.980151
"116886"	538.242402	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+2Cl"	69.938804
"557540"	789.878902	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+2Cl"	69.938804
"1032901"	286.605902	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2Cl"	69.938804
"1248105"	582.191885	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Br"	78.918885
"1311652"	584.247872	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Cl+HCOOH"	80.974872
"1321127"	606.229829	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Cl+NaCOOH"	102.956829
"915102"	616.258586	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M-H+CF3COOH"	112.985586
"1299103"	652.235264	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Cl+CF3COOH"	148.962264
"1370703"	468.260324	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H-2H2O"	-35.012676
"1390383"	486.2703	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H-H2O"	-17.0027
"286060"	1007.553276	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+H"	1.007276
"677388"	1510.826276	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+H"	1.007276
"1352759"	504.280276	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H"	1.007276
"127110"	504.280276	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+2H"	2.014552
"567644"	755.916776	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+2H"	2.014552
"1047022"	252.643776	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2H"	2.014552
"210183"	336.522609333333	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+3H"	3.021828
"648648"	504.280276	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+3H"	3.021828
"1166045"	168.764942666667	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+3H"	3.021828
"427859"	1024.579823	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+NH4"	18.033823
"788854"	1527.852823	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+NH4"	18.033823
"1684087"	521.306823	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+NH4"	18.033823
"341126"	512.7935495	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+H+NH4"	19.041099
"736105"	764.4300495	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+H+NH4"	19.041099
"1491380"	261.1570495	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H+NH4"	19.041099
"407146"	1029.535218	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+Na"	22.989218
"767044"	1532.808218	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+Na"	22.989218
"1614049"	526.262218	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Na"	22.989218
"321898"	515.271247	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+H+Na"	23.996494
"714319"	766.907747	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+H+Na"	23.996494
"1467043"	263.634747	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H+Na"	23.996494
"1058103"	176.092256666667	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2H+Na"	25.00377
"1266707"	536.306486	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+CH3OH+H"	33.033486
"384919"	1045.509158	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+K"	38.963158
"743728"	1548.782158	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+K"	38.963158
"1552342"	542.236158	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+K"	38.963158
"305145"	523.258217	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+H+K"	39.970434
"706978"	774.894717	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+H+K"	39.970434
"1457954"	271.621717	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H+K"	39.970434
"247285"	1048.579826	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+ACN+H"	42.033826
"1221450"	545.306826	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+ACN+H"	42.033826
"1204240"	273.157051	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+ACN+2H"	43.041102
"198202"	1051.51716	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+2Na-H"	44.97116
"640316"	1554.79016	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+2Na-H"	44.97116
"1143092"	548.24416	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2Na-H"	44.97116
"184196"	526.262218	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+2Na"	45.978436
"626067"	777.898718	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+2Na"	45.978436
"1129085"	274.625718	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2Na"	45.978436
"1408961"	183.419570666667	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H+2Na"	46.985712
"1437798"	550.285746	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H+HCOOH"	47.012746
"229680"	531.29524	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+3H2O+2H"	56.04448
"1514464"	564.33779	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+IsoProp+H"	61.06479
"411964"	534.249188	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+Na+K"	61.952376
"776243"	785.885688	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+Na+K"	61.952376
"1669654"	282.612688	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Na+K"	61.952376
"258000"	1070.561768	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+ACN+Na"	64.015768
"1229616"	567.288768	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+ACN+Na"	64.015768
"1725072"	567.312293	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+NH4+HCOOH"	64.039293
"1188240"	190.746884666667	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+3Na"	68.967654
"1665506"	572.267688	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Na+HCOOH"	68.994688
"172045"	1083.46504	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+2K-H"	76.91904
"612458"	1586.73804	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+2K-H"	76.91904
"1098059"	580.19204	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2K-H"	76.91904
"150260"	542.236158	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"2M+2K"	77.926316
"596957"	793.872658	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"3M+2K"	77.926316
"1074334"	290.599658	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2K"	77.926316
"1106452"	582.206592	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2K+H"	78.933592
"1346119"	582.294207	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+DMSO+H"	79.021207
"1016836"	586.333376	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2ACN+H"	83.060376
"1532774"	587.327008	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+IsoProp+Na+H"	84.054008
"999222"	293.670326	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+2ACN+2H"	84.067652
"1597006"	588.241628	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+K+HCOOH"	84.968628
"1417561"	618.273138	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+H+CF3COOH"	115.000138
"1161707"	314.183601	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+3ACN+2H"	125.094202
"1705786"	635.299685	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+NH4+CF3COOH"	132.026685
"1642530"	640.25508	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+Na+CF3COOH"	136.98208
"1578180"	656.22902	"C17008"	"Mycalamide A"	"C24H41NO10"	"503.273"	"M+K+CF3COOH"	152.95602
"814018"	517.2887	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M"	0
"976616"	498.27031	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-H2O-H"	-19.01839
"65221"	343.851857333333	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M-3H"	-3.021828
"504418"	516.281424	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M-3H"	-3.021828
"885503"	171.422290666667	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-3H"	-3.021828
"4078"	516.281424	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M-2H"	-2.014552
"442543"	774.925774	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M-2H"	-2.014552
"820346"	257.637074	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-2H"	-2.014552
"81426"	1033.570124	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M-H"	-1.007276
"522084"	1550.858824	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M-H"	-1.007276
"900981"	516.281424	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-H"	-1.007276
"52074"	1050.596671	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M-2H+NH4"	16.019271
"492731"	1567.885371	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M-2H+NH4"	16.019271
"868344"	533.307971	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-2H+NH4"	16.019271
"37338"	1055.552066	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M-2H+Na"	20.974666
"475805"	1572.840766	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M-2H+Na"	20.974666
"851425"	538.263366	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-2H+Na"	20.974666
"1619865"	538.263366	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Na-2H"	20.974666
"94431"	534.269763	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M-H+Cl"	33.962126
"534405"	792.914113	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M-H+Cl"	33.962126
"933845"	275.625413	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-H+Cl"	33.962126
"269485"	1069.546802	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+Cl"	34.969402
"665916"	1586.835502	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+Cl"	34.969402
"1274187"	552.258102	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Cl"	34.969402
"19783"	1071.526006	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M-2H+K"	36.948606
"461530"	1588.814706	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M-2H+K"	36.948606
"833377"	554.237306	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-2H+K"	36.948606
"1556622"	554.237306	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+K-2H"	36.948606
"943414"	562.286894	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-H+HCOOH"	44.998194
"362602"	1079.575601	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+HCOOH-H"	44.998201
"346035"	1093.591251	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+Hac-H"	59.013851
"1493369"	576.302551	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Hac-H"	59.013851
"959089"	584.268851	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-H+NaCOOH"	66.980151
"116996"	552.258102	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+2Cl"	69.938804
"556557"	810.902452	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+2Cl"	69.938804
"1033011"	293.613752	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2Cl"	69.938804
"1247122"	596.207585	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Br"	78.918885
"1310669"	598.263572	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Cl+HCOOH"	80.974872
"1320873"	620.245529	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Cl+NaCOOH"	102.956829
"914848"	630.274286	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M-H+CF3COOH"	112.985586
"1299942"	666.250964	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Cl+CF3COOH"	148.962264
"1373000"	482.276024	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H-2H2O"	-35.012676
"1388307"	500.286	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H-H2O"	-17.0027
"285077"	1035.584676	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+H"	1.007276
"677134"	1552.873376	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+H"	1.007276
"1352023"	518.295976	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H"	1.007276
"126006"	518.295976	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+2H"	2.014552
"567390"	776.940326	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+2H"	2.014552
"1043487"	259.651626	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2H"	2.014552
"209198"	345.866409333333	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+3H"	3.021828
"646931"	518.295976	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+3H"	3.021828
"1167609"	173.436842666667	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+3H"	3.021828
"427603"	1052.611223	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+NH4"	18.033823
"786893"	1569.899923	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+NH4"	18.033823
"1681884"	535.322523	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+NH4"	18.033823
"341600"	526.8092495	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+H+NH4"	19.041099
"736940"	785.4535995	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+H+NH4"	19.041099
"1491855"	268.1648995	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H+NH4"	19.041099
"407135"	1057.566618	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+Na"	22.989218
"767883"	1574.855318	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+Na"	22.989218
"1614523"	540.277918	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Na"	22.989218
"322007"	529.286947	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+H+Na"	23.996494
"714428"	787.931297	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+H+Na"	23.996494
"1468246"	270.642597	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H+Na"	23.996494
"1059307"	180.764156666667	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2H+Na"	25.00377
"1266817"	550.322186	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+CH3OH+H"	33.033486
"385029"	1073.540558	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+K"	38.963158
"743838"	1590.829258	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+K"	38.963158
"1548078"	556.251858	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+K"	38.963158
"307442"	537.273917	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+H+K"	39.970434
"706319"	795.918267	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+H+K"	39.970434
"1458428"	278.629567	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H+K"	39.970434
"246302"	1076.611226	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+ACN+H"	42.033826
"1225087"	559.322526	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+ACN+H"	42.033826
"1205809"	280.164901	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+ACN+2H"	43.041102
"197221"	1079.54856	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+2Na-H"	44.97116
"640790"	1596.83726	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+2Na-H"	44.97116
"1144175"	562.25986	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2Na-H"	44.97116
"185279"	540.277918	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+2Na"	45.978436
"625811"	798.922268	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+2Na"	45.978436
"1128465"	281.633568	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2Na"	45.978436
"1409072"	188.091470666667	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H+2Na"	46.985712
"1441187"	564.301446	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H+HCOOH"	47.012746
"230882"	545.31094	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+3H2O+2H"	56.04448
"1517851"	578.35349	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+IsoProp+H"	61.06479
"416451"	548.264888	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+Na+K"	61.952376
"778540"	806.909238	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+Na+K"	61.952376
"1668307"	289.620538	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Na+K"	61.952376
"257017"	1098.593168	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+ACN+Na"	64.015768
"1231913"	581.304468	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+ACN+Na"	64.015768
"1724817"	581.327993	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+NH4+HCOOH"	64.039293
"1187257"	195.418784666667	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+3Na"	68.967654
"1664810"	586.283388	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Na+HCOOH"	68.994688
"171181"	1111.49644	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+2K-H"	76.91904
"611471"	1628.78514	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+2K-H"	76.91904
"1092457"	594.20774	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2K-H"	76.91904
"150370"	556.251858	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"2M+2K"	77.926316
"596620"	814.896208	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"3M+2K"	77.926316
"1072258"	297.607508	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2K"	77.926316
"1106562"	596.222292	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2K+H"	78.933592
"1342949"	596.309907	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+DMSO+H"	79.021207
"1010385"	600.349076	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2ACN+H"	83.060376
"1532884"	601.342708	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+IsoProp+Na+H"	84.054008
"999332"	300.678176	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+2ACN+2H"	84.067652
"1590555"	602.257328	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+K+HCOOH"	84.968628
"1414876"	632.288838	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+H+CF3COOH"	115.000138
"1161332"	321.191451	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+3ACN+2H"	125.094202
"1705896"	649.315385	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+NH4+CF3COOH"	132.026685
"1639360"	654.27078	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+Na+CF3COOH"	136.98208
"1578290"	670.24472	"C17009"	"Mycalamide B"	"C25H43NO10"	"517.2887"	"M+K+CF3COOH"	152.95602
"814128"	296.0896	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M"	0
"976726"	277.07121	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-H2O-H"	-19.01839
"65331"	196.385790666667	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M-3H"	-3.021828
"504892"	295.082324	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M-3H"	-3.021828
"885613"	97.6892573333333	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-3H"	-3.021828
"4188"	295.082324	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M-2H"	-2.014552
"443381"	443.127124	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M-2H"	-2.014552
"821550"	147.037524	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-2H"	-2.014552
"82995"	591.171924	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M-H"	-1.007276
"523287"	887.261524	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M-H"	-1.007276
"902184"	295.082324	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-H"	-1.007276
"52184"	608.198471	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M-2H+NH4"	16.019271
"493934"	904.288071	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M-2H+NH4"	16.019271
"868454"	312.108871	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-2H+NH4"	16.019271
"37448"	613.153866	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M-2H+Na"	20.974666
"477372"	909.243466	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M-2H+Na"	20.974666
"853721"	317.064266	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-2H+Na"	20.974666
"1621068"	317.064266	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Na-2H"	20.974666
"95410"	313.070663	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M-H+Cl"	33.962126
"535576"	461.115463	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M-H+Cl"	33.962126
"928848"	165.025863	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-H+Cl"	33.962126
"268866"	627.148602	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+Cl"	34.969402
"666026"	923.238202	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+Cl"	34.969402
"1274540"	331.059002	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Cl"	34.969402
"19893"	629.127806	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M-2H+K"	36.948606
"456412"	925.217406	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M-2H+K"	36.948606
"833608"	333.038206	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-2H+K"	36.948606
"1558556"	333.038206	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+K-2H"	36.948606
"944981"	341.087794	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-H+HCOOH"	44.998194
"363927"	637.177401	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+HCOOH-H"	44.998201
"348172"	651.193051	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+Hac-H"	59.013851
"1497004"	355.103451	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Hac-H"	59.013851
"960901"	363.069751	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-H+NaCOOH"	66.980151
"113826"	331.059002	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+2Cl"	69.938804
"557760"	479.103802	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+2Cl"	69.938804
"1033121"	183.014202	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2Cl"	69.938804
"1247232"	375.008485	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Br"	78.918885
"1311143"	377.064472	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Cl+HCOOH"	80.974872
"1322804"	399.046429	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Cl+NaCOOH"	102.956829
"914957"	409.075186	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M-H+CF3COOH"	112.985586
"1300416"	445.051864	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Cl+CF3COOH"	148.962264
"1373110"	261.076924	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H-2H2O"	-35.012676
"1387324"	279.0869	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H-H2O"	-17.0027
"284092"	593.186476	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+H"	1.007276
"676513"	889.276076	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+H"	1.007276
"1352496"	297.096876	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H"	1.007276
"126114"	297.096876	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+2H"	2.014552
"566768"	445.141676	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+2H"	2.014552
"1038489"	149.052076	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2H"	2.014552
"206144"	198.400342666667	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+3H"	3.021828
"645338"	297.096876	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+3H"	3.021828
"1167719"	99.7038093333334	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+3H"	3.021828
"428441"	610.213023	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+NH4"	18.033823
"787975"	906.302623	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+NH4"	18.033823
"1681873"	314.123423	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+NH4"	18.033823
"334048"	305.6101495	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+H+NH4"	19.041099
"726468"	453.6549495	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+H+NH4"	19.041099
"1483210"	157.5653495	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H+NH4"	19.041099
"399705"	615.168418	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+Na"	22.989218
"759608"	911.258018	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+Na"	22.989218
"1610986"	319.078818	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Na"	22.989218
"322117"	308.087847	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+H+Na"	23.996494
"714538"	456.132647	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+H+Na"	23.996494
"1465440"	160.043047	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H+Na"	23.996494
"1058323"	107.031123333333	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2H+Na"	25.00377
"1263281"	329.123086	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+CH3OH+H"	33.033486
"382952"	631.142358	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+K"	38.963158
"742854"	927.231958	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+K"	38.963158
"1544908"	335.052758	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+K"	38.963158
"304272"	316.074817	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+H+K"	39.970434
"706263"	464.119617	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+H+K"	39.970434
"1458173"	168.030017	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H+K"	39.970434
"241309"	634.213026	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+ACN+H"	42.033826
"1223615"	338.123426	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+ACN+H"	42.033826
"1202273"	169.565351	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+ACN+2H"	43.041102
"202069"	637.15036	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+2Na-H"	44.97116
"637984"	933.23996	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+2Na-H"	44.97116
"1141489"	341.06076	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2Na-H"	44.97116
"184779"	319.078818	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+2Na"	45.978436
"625433"	467.123618	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+2Na"	45.978436
"1127845"	171.034018	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2Na"	45.978436
"1408088"	114.358437333333	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H+2Na"	46.985712
"1441298"	343.102346	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H+HCOOH"	47.012746
"229899"	324.11184	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+3H2O+2H"	56.04448
"1515773"	357.15439	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+IsoProp+H"	61.06479
"416561"	327.065788	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+Na+K"	61.952376
"778650"	475.110588	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+Na+K"	61.952376
"1667325"	179.020988	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Na+K"	61.952376
"257127"	656.194968	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+ACN+Na"	64.015768
"1228743"	360.105368	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+ACN+Na"	64.015768
"1723101"	360.128893	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+NH4+HCOOH"	64.039293
"1193807"	121.685751333333	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+3Na"	68.967654
"1664309"	365.084288	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Na+HCOOH"	68.994688
"168493"	669.09824	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+2K-H"	76.91904
"609149"	965.18784	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+2K-H"	76.91904
"1087465"	373.00864	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2K-H"	76.91904
"150480"	335.052758	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"2M+2K"	77.926316
"596977"	483.097558	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"3M+2K"	77.926316
"1075648"	187.007958	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2K"	77.926316
"1106672"	375.023192	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2K+H"	78.933592
"1343059"	375.110807	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+DMSO+H"	79.021207
"1010495"	379.149976	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2ACN+H"	83.060376
"1529714"	380.143608	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+IsoProp+Na+H"	84.054008
"999442"	190.078626	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+2ACN+2H"	84.067652
"1590665"	381.058228	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+K+HCOOH"	84.968628
"1414621"	411.089738	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+H+CF3COOH"	115.000138
"1160833"	210.591901	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+3ACN+2H"	125.094202
"1706006"	428.116285	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+NH4+CF3COOH"	132.026685
"1639470"	433.07168	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+Na+CF3COOH"	136.98208
"1575120"	449.04562	"C17010"	"Dehypoxanthine futalosine"	"C14H16O7"	"296.0896"	"M+K+CF3COOH"	152.95602
"816425"	348.142	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M"	0
"980116"	329.12361	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-H2O-H"	-19.01839
"66170"	231.087390666667	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M-3H"	-3.021828
"505002"	347.134724	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M-3H"	-3.021828
"883535"	115.040057333333	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-3H"	-3.021828
"1138"	347.134724	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M-2H"	-2.014552
"443857"	521.205724	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M-2H"	-2.014552
"819105"	173.063724	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-2H"	-2.014552
"82741"	695.276724	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M-H"	-1.007276
"521208"	1043.418724	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M-H"	-1.007276
"899007"	347.134724	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-H"	-1.007276
"49860"	712.303271	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M-2H+NH4"	16.019271
"491127"	1060.445271	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M-2H+NH4"	16.019271
"868928"	364.161271	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-2H+NH4"	16.019271
"37558"	717.258666	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M-2H+Na"	20.974666
"476388"	1065.400666	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M-2H+Na"	20.974666
"856018"	369.116666	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-2H+Na"	20.974666
"1624455"	369.116666	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Na-2H"	20.974666
"95519"	365.123063	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M-H+Cl"	33.962126
"536536"	539.194063	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M-H+Cl"	33.962126
"931510"	191.052063	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-H+Cl"	33.962126
"272621"	731.253402	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+Cl"	34.969402
"663949"	1079.395402	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+Cl"	34.969402
"1276349"	383.111402	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Cl"	34.969402
"20003"	733.232606	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M-2H+K"	36.948606
"457739"	1081.374606	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M-2H+K"	36.948606
"834084"	385.090606	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-2H+K"	36.948606
"1559030"	385.090606	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+K-2H"	36.948606
"945456"	393.140194	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-H+HCOOH"	44.998194
"364765"	741.282201	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+HCOOH-H"	44.998201
"347554"	755.297851	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+Hac-H"	59.013851
"1496020"	407.155851	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Hac-H"	59.013851
"961011"	415.122151	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-H+NaCOOH"	66.980151
"113200"	383.111402	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+2Cl"	69.938804
"557870"	557.182402	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+2Cl"	69.938804
"1033231"	209.040402	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2Cl"	69.938804
"1247342"	427.060885	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Br"	78.918885
"1306877"	429.116872	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Cl+HCOOH"	80.974872
"1326195"	451.098829	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Cl+NaCOOH"	102.956829
"916888"	461.127586	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M-H+CF3COOH"	112.985586
"1288857"	497.104264	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Cl+CF3COOH"	148.962264
"1372125"	313.129324	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H-2H2O"	-35.012676
"1387434"	331.1393	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H-H2O"	-17.0027
"283958"	697.291276	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+H"	1.007276
"677715"	1045.433276	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+H"	1.007276
"1354063"	349.149276	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H"	1.007276
"126588"	349.149276	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+2H"	2.014552
"568336"	523.220276	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+2H"	2.014552
"1037991"	175.078276	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2H"	2.014552
"205282"	233.101942666667	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+3H"	3.021828
"645447"	349.149276	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+3H"	3.021828
"1166737"	117.054609333333	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+3H"	3.021828
"427823"	714.317823	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+NH4"	18.033823
"787721"	1062.459823	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+NH4"	18.033823
"1681904"	366.175823	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+NH4"	18.033823
"334158"	357.6625495	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+H+NH4"	19.041099
"725121"	531.7335495	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+H+NH4"	19.041099
"1477318"	183.5915495	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H+NH4"	19.041099
"396534"	719.273218	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+Na"	22.989218
"758623"	1067.415218	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+Na"	22.989218
"1610001"	371.131218	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Na"	22.989218
"323319"	360.140247	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+H+Na"	23.996494
"712460"	534.211247	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+H+Na"	23.996494
"1467372"	186.069247	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H+Na"	23.996494
"1059523"	124.381923333333	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2H+Na"	25.00377
"1261204"	381.175486	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+CH3OH+H"	33.033486
"384155"	735.247158	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+K"	38.963158
"745150"	1083.389158	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+K"	38.963158
"1544287"	387.105158	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+K"	38.963158
"305473"	368.127217	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+H+K"	39.970434
"706286"	542.198217	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+H+K"	39.970434
"1459377"	194.056217	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H+K"	39.970434
"242512"	738.317826	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+ACN+H"	42.033826
"1221780"	390.175826	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+ACN+H"	42.033826
"1205663"	195.591551	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+ACN+2H"	43.041102
"201813"	741.25516	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+2Na-H"	44.97116
"641373"	1089.39716	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+2Na-H"	44.97116
"1139412"	393.11316	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2Na-H"	44.97116
"184888"	371.131218	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+2Na"	45.978436
"624447"	545.202218	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+2Na"	45.978436
"1129048"	197.060218	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2Na"	45.978436
"1408198"	131.709237333333	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H+2Na"	46.985712
"1441407"	395.154746	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H+HCOOH"	47.012746
"231103"	376.16424	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+3H2O+2H"	56.04448
"1515884"	409.20679	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+IsoProp+H"	61.06479
"413020"	379.118188	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+Na+K"	61.952376
"777665"	553.189188	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+Na+K"	61.952376
"1667437"	205.047188	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Na+K"	61.952376
"254321"	760.299768	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+ACN+Na"	64.015768
"1229217"	412.157768	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+ACN+Na"	64.015768
"1721022"	412.181293	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+NH4+HCOOH"	64.039293
"1191848"	139.036551333333	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+3Na"	68.967654
"1662837"	417.136688	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Na+HCOOH"	68.994688
"166416"	773.20304	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+2K-H"	76.91904
"603791"	1121.34504	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+2K-H"	76.91904
"1085025"	425.06104	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2K-H"	76.91904
"150590"	387.105158	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"2M+2K"	77.926316
"596353"	561.176158	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"3M+2K"	77.926316
"1077945"	213.034158	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2K"	77.926316
"1104595"	427.075592	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2K+H"	78.933592
"1343169"	427.163207	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+DMSO+H"	79.021207
"1010605"	431.202376	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2ACN+H"	83.060376
"1533104"	432.196008	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+IsoProp+Na+H"	84.054008
"996272"	216.104826	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+2ACN+2H"	84.067652
"1590775"	433.110628	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+K+HCOOH"	84.968628
"1414283"	463.142138	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+H+CF3COOH"	115.000138
"1158753"	236.618101	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+3ACN+2H"	125.094202
"1702836"	480.168685	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+NH4+CF3COOH"	132.026685
"1638487"	485.12408	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+Na+CF3COOH"	136.98208
"1575230"	501.09802	"C17011"	"Leonuridine"	"C15H24O9"	"348.142"	"M+K+CF3COOH"	152.95602
"816295"	378.2042	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M"	0
"976218"	359.18581	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-H2O-H"	-19.01839
"71748"	251.128857333333	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M-3H"	-3.021828
"504625"	377.196924	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M-3H"	-3.021828
"885832"	125.060790666667	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-3H"	-3.021828
"2584"	377.196924	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M-2H"	-2.014552
"442874"	566.299024	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M-2H"	-2.014552
"819580"	188.094824	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-2H"	-2.014552
"80301"	755.401124	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M-H"	-1.007276
"519863"	1133.605324	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M-H"	-1.007276
"898389"	377.196924	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-H"	-1.007276
"49484"	772.427671	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M-2H+NH4"	16.019271
"493060"	1150.631871	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M-2H+NH4"	16.019271
"869038"	394.223471	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-2H+NH4"	16.019271
"36210"	777.383066	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M-2H+Na"	20.974666
"477592"	1155.587266	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M-2H+Na"	20.974666
"857220"	399.178866	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-2H+Na"	20.974666
"1622743"	399.178866	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Na-2H"	20.974666
"100002"	395.185263	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M-H+Cl"	33.962126
"538832"	584.287363	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M-H+Cl"	33.962126
"930164"	206.083163	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-H+Cl"	33.962126
"270179"	791.377802	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+Cl"	34.969402
"664059"	1169.582002	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+Cl"	34.969402
"1273904"	413.173602	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Cl"	34.969402
"20113"	793.357006	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M-2H+K"	36.948606
"456385"	1171.561206	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M-2H+K"	36.948606
"833704"	415.152806	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-2H+K"	36.948606
"1558775"	415.152806	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+K-2H"	36.948606
"943500"	423.202394	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-H+HCOOH"	44.998194
"362687"	801.406601	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+HCOOH-H"	44.998201
"345962"	815.422251	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+Hac-H"	59.013851
"1493943"	437.218051	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Hac-H"	59.013851
"962214"	445.184351	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-H+NaCOOH"	66.980151
"111119"	413.173602	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+2Cl"	69.938804
"550681"	602.275702	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+2Cl"	69.938804
"1033341"	224.071502	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2Cl"	69.938804
"1242711"	457.123085	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Br"	78.918885
"1308080"	459.179072	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Cl+HCOOH"	80.974872
"1326670"	481.161029	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Cl+NaCOOH"	102.956829
"917364"	491.189786	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M-H+CF3COOH"	112.985586
"1291155"	527.166464	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Cl+CF3COOH"	148.962264
"1374422"	343.191524	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H-2H2O"	-35.012676
"1386085"	361.2015	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H-H2O"	-17.0027
"283582"	757.415676	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+H"	1.007276
"676245"	1135.619876	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+H"	1.007276
"1353809"	379.211476	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H"	1.007276
"128157"	379.211476	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+2H"	2.014552
"567111"	568.313576	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+2H"	2.014552
"1040168"	190.109376	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2H"	2.014552
"205393"	253.143409333333	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+3H"	3.021828
"646530"	379.211476	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+3H"	3.021828
"1166847"	127.075342666667	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+3H"	3.021828
"430485"	774.442223	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+NH4"	18.033823
"786739"	1152.646423	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+NH4"	18.033823
"1681448"	396.238023	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+NH4"	18.033823
"332811"	387.7247495	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+H+NH4"	19.041099
"725231"	576.8268495	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+H+NH4"	19.041099
"1478442"	198.6226495	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H+NH4"	19.041099
"397735"	779.397618	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+Na"	22.989218
"759823"	1157.601818	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+Na"	22.989218
"1610110"	401.193418	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Na"	22.989218
"323428"	390.202447	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+H+Na"	23.996494
"712569"	579.304547	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+H+Na"	23.996494
"1465295"	201.100347	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H+Na"	23.996494
"1055259"	134.402656666667	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2H+Na"	25.00377
"1261313"	411.237686	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+CH3OH+H"	33.033486
"384265"	795.371558	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+K"	38.963158
"744166"	1173.575758	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+K"	38.963158
"1544032"	417.167358	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+K"	38.963158
"305583"	398.189417	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+H+K"	39.970434
"705667"	587.291517	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+H+K"	39.970434
"1459123"	209.087317	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H+K"	39.970434
"236062"	798.442226	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+ACN+H"	42.033826
"1215330"	420.238026	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+ACN+H"	42.033826
"1202493"	210.622651	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+ACN+2H"	43.041102
"199736"	801.37956	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+2Na-H"	44.97116
"634922"	1179.58376	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+2Na-H"	44.97116
"1139522"	423.17536	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2Na-H"	44.97116
"183904"	401.193418	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+2Na"	45.978436
"623465"	590.295518	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+2Na"	45.978436
"1125878"	212.091318	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2Na"	45.978436
"1409402"	141.729970666667	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H+2Na"	46.985712
"1441517"	425.216946	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H+HCOOH"	47.012746
"230120"	406.22644	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+3H2O+2H"	56.04448
"1514901"	439.26899	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+IsoProp+H"	61.06479
"412402"	409.180388	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+Na+K"	61.952376
"776682"	598.282488	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+Na+K"	61.952376
"1668640"	220.078288	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Na+K"	61.952376
"254067"	820.424168	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+ACN+Na"	64.015768
"1228963"	442.219968	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+ACN+Na"	64.015768
"1722225"	442.243493	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+NH4+HCOOH"	64.039293
"1193905"	149.057284666667	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+3Na"	68.967654
"1662947"	447.198888	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Na+HCOOH"	68.994688
"168713"	833.32744	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+2K-H"	76.91904
"604993"	1211.53164	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+2K-H"	76.91904
"1086588"	455.12324	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2K-H"	76.91904
"150700"	417.167358	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"2M+2K"	77.926316
"595489"	606.269458	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"3M+2K"	77.926316
"1081336"	228.065258	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2K"	77.926316
"1112360"	457.137792	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2K+H"	78.933592
"1343279"	457.225407	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+DMSO+H"	79.021207
"1010715"	461.264576	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2ACN+H"	83.060376
"1533214"	462.258208	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+IsoProp+Na+H"	84.054008
"999662"	231.135926	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+2ACN+2H"	84.067652
"1597446"	463.172828	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+K+HCOOH"	84.968628
"1416544"	493.204338	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+H+CF3COOH"	115.000138
"1162143"	251.649201	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+3ACN+2H"	125.094202
"1702946"	510.230885	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+NH4+CF3COOH"	132.026685
"1638597"	515.18628	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+Na+CF3COOH"	136.98208
"1575340"	531.16022	"C17012"	"Nigakilactone A;Quassin"	"C21H30O6"	"378.2042"	"M+K+CF3COOH"	152.95602
"815554"	392.2199	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M"	0
"977057"	373.20151	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-H2O-H"	-19.01839
"68578"	260.472657333333	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M-3H"	-3.021828
"503520"	391.212624	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M-3H"	-3.021828
"885942"	129.732690666667	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-3H"	-3.021828
"992"	391.212624	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M-2H"	-2.014552
"442984"	587.322574	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M-2H"	-2.014552
"818598"	195.102674	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-2H"	-2.014552
"79682"	783.432524	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M-H"	-1.007276
"519243"	1175.652424	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M-H"	-1.007276
"897770"	391.212624	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-H"	-1.007276
"48867"	800.459071	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M-2H+NH4"	16.019271
"493170"	1192.678971	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M-2H+NH4"	16.019271
"867691"	408.239171	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-2H+NH4"	16.019271
"35592"	805.414466	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M-2H+Na"	20.974666
"476245"	1197.634366	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M-2H+Na"	20.974666
"858423"	413.194566	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-2H+Na"	20.974666
"1622489"	413.194566	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Na-2H"	20.974666
"99019"	409.200963	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M-H+Cl"	33.962126
"538578"	605.310913	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M-H+Cl"	33.962126
"929544"	213.091013	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-H+Cl"	33.962126
"269561"	819.409202	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+Cl"	34.969402
"661253"	1211.629102	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+Cl"	34.969402
"1272998"	427.189302	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Cl"	34.969402
"20223"	821.388406	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M-2H+K"	36.948606
"456127"	1213.608306	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M-2H+K"	36.948606
"838679"	429.168506	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-2H+K"	36.948606
"1558885"	429.168506	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+K-2H"	36.948606
"945312"	437.218094	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-H+HCOOH"	44.998194
"361705"	829.438001	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+HCOOH-H"	44.998201
"346681"	843.453651	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+Hac-H"	59.013851
"1497334"	451.233751	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Hac-H"	59.013851
"963418"	459.200051	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-H+NaCOOH"	66.980151
"111231"	427.189302	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+2Cl"	69.938804
"550794"	623.299252	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+2Cl"	69.938804
"1033451"	231.079352	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2Cl"	69.938804
"1243551"	471.138785	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Br"	78.918885
"1308190"	473.194772	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Cl+HCOOH"	80.974872
"1320582"	495.176729	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Cl+NaCOOH"	102.956829
"915286"	505.205486	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M-H+CF3COOH"	112.985586
"1288589"	541.182164	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Cl+CF3COOH"	148.962264
"1370153"	357.207224	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H-2H2O"	-35.012676
"1386195"	375.2172	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H-H2O"	-17.0027
"283286"	785.447076	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+H"	1.007276
"677934"	1177.666976	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+H"	1.007276
"1355013"	393.227176	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H"	1.007276
"128269"	393.227176	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+2H"	2.014552
"566857"	589.337126	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+2H"	2.014552
"1040278"	197.117226	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2H"	2.014552
"205747"	262.487209333333	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+3H"	3.021828
"645911"	393.227176	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+3H"	3.021828
"1165864"	131.747242666667	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+3H"	3.021828
"428409"	802.473623	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+NH4"	18.033823
"787578"	1194.693523	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+NH4"	18.033823
"1681723"	410.253723	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+NH4"	18.033823
"332921"	401.7404495	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+H+NH4"	19.041099
"724248"	597.8503995	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+H+NH4"	19.041099
"1477213"	205.6304995	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H+NH4"	19.041099
"396752"	807.429018	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+Na"	22.989218
"755557"	1199.648918	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+Na"	22.989218
"1603288"	415.209118	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Na"	22.989218
"322446"	404.218147	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+H+Na"	23.996494
"714866"	600.328097	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+H+Na"	23.996494
"1465405"	208.108197	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H+Na"	23.996494
"1056462"	139.074556666667	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2H+Na"	25.00377
"1262516"	425.253386	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+CH3OH+H"	33.033486
"384375"	823.402958	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+K"	38.963158
"742089"	1215.622858	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+K"	38.963158
"1543049"	431.183058	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+K"	38.963158
"302413"	412.205117	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+H+K"	39.970434
"705047"	608.315067	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+H+K"	39.970434
"1459962"	216.095167	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H+K"	39.970434
"238359"	826.473626	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+ACN+H"	42.033826
"1211066"	434.253726	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+ACN+H"	42.033826
"1203696"	217.630501	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+ACN+2H"	43.041102
"194380"	829.41096	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+2Na-H"	44.97116
"635032"	1221.63086	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+2Na-H"	44.97116
"1137445"	437.19106	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2Na-H"	44.97116
"181827"	415.209118	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+2Na"	45.978436
"622481"	611.319068	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+2Na"	45.978436
"1126353"	219.099168	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2Na"	45.978436
"1408056"	146.401870666667	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H+2Na"	46.985712
"1437253"	439.232646	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H+HCOOH"	47.012746
"226950"	420.24214	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+3H2O+2H"	56.04448
"1515011"	453.28469	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+IsoProp+H"	61.06479
"412512"	423.196088	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+Na+K"	61.952376
"772778"	619.306038	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+Na+K"	61.952376
"1669837"	227.086138	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Na+K"	61.952376
"252109"	848.455568	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+ACN+Na"	64.015768
"1227976"	456.235668	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+ACN+Na"	64.015768
"1719054"	456.259193	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+NH4+HCOOH"	64.039293
"1190972"	153.729184666667	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+3Na"	68.967654
"1661964"	461.214588	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Na+HCOOH"	68.994688
"172103"	861.35884	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+2K-H"	76.91904
"606196"	1253.57874	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+2K-H"	76.91904
"1086698"	469.13894	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2K-H"	76.91904
"147530"	431.183058	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"2M+2K"	77.926316
"585997"	627.293008	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"3M+2K"	77.926316
"1081446"	235.073108	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2K"	77.926316
"1112470"	471.153492	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2K+H"	78.933592
"1344482"	471.241107	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+DMSO+H"	79.021207
"1011918"	475.280276	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2ACN+H"	83.060376
"1530044"	476.273908	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+IsoProp+Na+H"	84.054008
"999772"	238.143776	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+2ACN+2H"	84.067652
"1597556"	477.188528	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+K+HCOOH"	84.968628
"1416654"	507.220038	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+H+CF3COOH"	115.000138
"1162253"	258.657051	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+3ACN+2H"	125.094202
"1706336"	524.246585	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+NH4+CF3COOH"	132.026685
"1638707"	529.20198	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+Na+CF3COOH"	136.98208
"1578730"	545.17592	"C17013"	"Nigakilactone B;Simalikalactone A;Quassin"	"C22H32O6"	"392.2199"	"M+K+CF3COOH"	152.95602
"815664"	310.1218	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M"	0
"979354"	291.10341	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-H2O-H"	-19.01839
"75249"	205.740590666667	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M-3H"	-3.021828
"506062"	309.114524	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M-3H"	-3.021828
"888234"	102.366657333333	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-3H"	-3.021828
"6808"	309.114524	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M-2H"	-2.014552
"444187"	464.175424	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M-2H"	-2.014552
"825271"	154.053624	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-2H"	-2.014552
"80888"	619.236324	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M-H"	-1.007276
"521543"	929.358124	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M-H"	-1.007276
"899705"	309.114524	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-H"	-1.007276
"49709"	636.262871	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M-2H+NH4"	16.019271
"496561"	946.384671	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M-2H+NH4"	16.019271
"871082"	326.141071	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-2H+NH4"	16.019271
"35703"	641.218266	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M-2H+Na"	20.974666
"476356"	951.340066	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M-2H+Na"	20.974666
"856348"	331.096466	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-2H+Na"	20.974666
"1624787"	331.096466	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Na-2H"	20.974666
"99130"	327.102863	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M-H+Cl"	33.962126
"538688"	482.163763	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M-H+Cl"	33.962126
"930020"	172.041963	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-H+Cl"	33.962126
"270764"	655.213002	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+Cl"	34.969402
"663186"	965.334802	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+Cl"	34.969402
"1273233"	345.091202	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Cl"	34.969402
"21426"	657.192206	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M-2H+K"	36.948606
"455874"	967.314006	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M-2H+K"	36.948606
"842069"	347.070406	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-2H+K"	36.948606
"1562275"	347.070406	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+K-2H"	36.948606
"946882"	355.119994	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-H+HCOOH"	44.998194
"365460"	665.241801	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+HCOOH-H"	44.998201
"348249"	679.257451	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+Hac-H"	59.013851
"1495257"	369.135651	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Hac-H"	59.013851
"962071"	377.101951	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-H+NaCOOH"	66.980151
"112434"	345.091202	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+2Cl"	69.938804
"552727"	500.152102	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+2Cl"	69.938804
"1022257"	190.030302	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2Cl"	69.938804
"1244025"	389.040685	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Br"	78.918885
"1309756"	391.096672	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Cl+HCOOH"	80.974872
"1321057"	413.078629	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Cl+NaCOOH"	102.956829
"915396"	423.107386	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M-H+CF3COOH"	112.985586
"1293561"	459.084064	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Cl+CF3COOH"	148.962264
"1369171"	275.109124	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H-2H2O"	-35.012676
"1387032"	293.1191	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H-H2O"	-17.0027
"283679"	621.250876	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+H"	1.007276
"677316"	931.372676	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+H"	1.007276
"1356217"	311.129076	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H"	1.007276
"126555"	311.129076	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+2H"	2.014552
"567576"	466.189976	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+2H"	2.014552
"1038931"	156.068176	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2H"	2.014552
"205126"	207.755142666667	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+3H"	3.021828
"646754"	311.129076	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+3H"	3.021828
"1165610"	104.381209333333	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+3H"	3.021828
"432892"	638.277423	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+NH4"	18.033823
"789512"	948.399223	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+NH4"	18.033823
"1684750"	328.155623	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+NH4"	18.033823
"333031"	319.6423495	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+H+NH4"	19.041099
"723993"	474.7032495	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+H+NH4"	19.041099
"1479269"	164.5814495	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H+NH4"	19.041099
"396862"	643.232818	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+Na"	22.989218
"755666"	953.354618	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+Na"	22.989218
"1603640"	333.111018	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Na"	22.989218
"323649"	322.120047	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+H+Na"	23.996494
"712789"	477.180947	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+H+Na"	23.996494
"1462235"	167.059147	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H+Na"	23.996494
"1056572"	111.708523333333	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2H+Na"	25.00377
"1262625"	343.155286	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+CH3OH+H"	33.033486
"384484"	659.206758	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+K"	38.963158
"741106"	969.328558	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+K"	38.963158
"1544254"	349.084958	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+K"	38.963158
"302158"	330.107017	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+H+K"	39.970434
"705157"	485.167917	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+H+K"	39.970434
"1456429"	175.046117	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H+K"	39.970434
"238469"	662.277426	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+ACN+H"	42.033826
"1214457"	352.155626	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+ACN+H"	42.033826
"1199433"	176.581451	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+ACN+2H"	43.041102
"195583"	665.21476	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+2Na-H"	44.97116
"636236"	975.33656	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+2Na-H"	44.97116
"1141930"	355.09296	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2Na-H"	44.97116
"184857"	333.111018	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+2Na"	45.978436
"623689"	488.171918	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+2Na"	45.978436
"1126466"	178.050118	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2Na"	45.978436
"1407803"	119.035837333333	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H+2Na"	46.985712
"1438825"	357.134546	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H+HCOOH"	47.012746
"228154"	338.14404	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+3H2O+2H"	56.04448
"1515852"	371.18659	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+IsoProp+H"	61.06479
"414808"	341.097988	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+Na+K"	61.952376
"775803"	496.158888	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+Na+K"	61.952376
"1672138"	186.037088	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Na+K"	61.952376
"260483"	684.259368	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+ACN+Na"	64.015768
"1236473"	374.137568	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+ACN+Na"	64.015768
"1720257"	374.161093	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+NH4+HCOOH"	64.039293
"1191082"	126.363151333333	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+3Na"	68.967654
"1662074"	379.116488	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Na+HCOOH"	68.994688
"172584"	697.16264	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+2K-H"	76.91904
"608493"	1007.28444	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+2K-H"	76.91904
"1086444"	387.04084	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2K-H"	76.91904
"147640"	349.084958	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"2M+2K"	77.926316
"582948"	504.145858	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"3M+2K"	77.926316
"1071713"	194.024058	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2K"	77.926316
"1111487"	389.055392	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2K+H"	78.933592
"1342405"	389.143007	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+DMSO+H"	79.021207
"1014216"	393.182176	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2ACN+H"	83.060376
"1530154"	394.175808	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+IsoProp+Na+H"	84.054008
"999882"	197.094726	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+2ACN+2H"	84.067652
"1597666"	395.090428	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+K+HCOOH"	84.968628
"1416764"	425.121938	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+H+CF3COOH"	115.000138
"1160177"	217.608001	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+3ACN+2H"	125.094202
"1704259"	442.148485	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+NH4+CF3COOH"	132.026685
"1638817"	447.10388	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+Na+CF3COOH"	136.98208
"1578840"	463.07782	"C17016"	"Nemertelline"	"C20H14N4"	"310.1218"	"M+K+CF3COOH"	152.95602
"812494"	294.074	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M"	0
"979463"	275.05561	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-H2O-H"	-19.01839
"65517"	195.042057333333	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M-3H"	-3.021828
"504104"	293.066724	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M-3H"	-3.021828
"880730"	97.0173906666667	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-3H"	-3.021828
"2177"	293.066724	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M-2H"	-2.014552
"444296"	440.103724	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M-2H"	-2.014552
"823192"	146.029724	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-2H"	-2.014552
"81361"	587.140724	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M-H"	-1.007276
"520922"	881.214724	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M-H"	-1.007276
"898364"	293.066724	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-H"	-1.007276
"49456"	604.167271	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M-2H+NH4"	16.019271
"493387"	898.241271	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M-2H+NH4"	16.019271
"869006"	310.093271	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-2H+NH4"	16.019271
"39096"	609.122666	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M-2H+Na"	20.974666
"474285"	903.196666	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M-2H+Na"	20.974666
"854270"	315.048666	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-2H+Na"	20.974666
"1619547"	315.048666	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Na-2H"	20.974666
"98145"	311.055063	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M-H+Cl"	33.962126
"536615"	458.092063	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M-H+Cl"	33.962126
"931223"	164.018063	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-H+Cl"	33.962126
"269783"	623.117402	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+Cl"	34.969402
"661110"	917.191402	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+Cl"	34.969402
"1280075"	329.043402	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Cl"	34.969402
"17163"	625.096606	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M-2H+K"	36.948606
"456315"	919.170606	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M-2H+K"	36.948606
"834161"	331.022606	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-2H+K"	36.948606
"1556434"	331.022606	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+K-2H"	36.948606
"946991"	339.072194	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-H+HCOOH"	44.998194
"367391"	633.146201	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+HCOOH-H"	44.998201
"348722"	647.161851	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+Hac-H"	59.013851
"1495736"	353.087851	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Hac-H"	59.013851
"961817"	361.054151	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-H+NaCOOH"	66.980151
"110727"	329.043402	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+2Cl"	69.938804
"550650"	476.080402	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+2Cl"	69.938804
"1022004"	182.006402	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2Cl"	69.938804
"1244137"	372.992885	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Br"	78.918885
"1308045"	375.048872	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Cl+HCOOH"	80.974872
"1321530"	397.030829	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Cl+NaCOOH"	102.956829
"911490"	407.059586	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M-H+CF3COOH"	112.985586
"1289782"	443.036264	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Cl+CF3COOH"	148.962264
"1369280"	259.061324	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H-2H2O"	-35.012676
"1384588"	277.0713	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H-H2O"	-17.0027
"286461"	589.155276	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+H"	1.007276
"678885"	883.229276	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+H"	1.007276
"1353775"	295.081276	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H"	1.007276
"130316"	295.081276	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+2H"	2.014552
"573159"	442.118276	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+2H"	2.014552
"1043053"	148.044276	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2H"	2.014552
"205483"	197.056609333333	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+3H"	3.021828
"646499"	295.081276	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+3H"	3.021828
"1166449"	99.0319426666667	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+3H"	3.021828
"429722"	606.181823	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+NH4"	18.033823
"789623"	900.255823	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+NH4"	18.033823
"1687055"	312.107823	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+NH4"	18.033823
"337518"	303.5945495	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+H+NH4"	19.041099
"727749"	450.6315495	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+H+NH4"	19.041099
"1484853"	156.5575495	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H+NH4"	19.041099
"398066"	611.137218	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+Na"	22.989218
"759060"	905.211218	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+Na"	22.989218
"1606065"	317.063218	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Na"	22.989218
"320474"	306.072247	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+H+Na"	23.996494
"709978"	453.109247	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+H+Na"	23.996494
"1463559"	159.035247	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H+Na"	23.996494
"1055588"	106.359256666667	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2H+Na"	25.00377
"1262739"	327.107486	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+CH3OH+H"	33.033486
"379127"	627.111158	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+K"	38.963158
"742310"	921.185158	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+K"	38.963158
"1546182"	333.037158	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+K"	38.963158
"314215"	314.059217	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+H+K"	39.970434
"705266"	461.096217	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+H+K"	39.970434
"1454351"	167.022217	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H+K"	39.970434
"239672"	630.181826	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+ACN+H"	42.033826
"1216753"	336.107826	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+ACN+H"	42.033826
"1199541"	168.557551	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+ACN+2H"	43.041102
"200065"	633.11916	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+2Na-H"	44.97116
"639625"	927.19316	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+2Na-H"	44.97116
"1138028"	339.04516	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2Na-H"	44.97116
"179859"	317.063218	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+2Na"	45.978436
"623797"	464.100218	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+2Na"	45.978436
"1126208"	170.026218	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2Na"	45.978436
"1410099"	113.686570666667	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H+2Na"	46.985712
"1437475"	341.086746	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H+HCOOH"	47.012746
"229722"	322.09624	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+3H2O+2H"	56.04448
"1514138"	355.13879	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+IsoProp+H"	61.06479
"416744"	325.050188	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+Na+K"	61.952376
"779201"	472.087188	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+Na+K"	61.952376
"1674439"	178.013188	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Na+K"	61.952376
"257677"	652.163768	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+ACN+Na"	64.015768
"1232573"	358.089768	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+ACN+Na"	64.015768
"1718181"	358.113293	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+NH4+HCOOH"	64.039293
"1187912"	121.013884666667	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+3Na"	68.967654
"1662182"	363.068688	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Na+HCOOH"	68.994688
"171229"	665.06704	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+2K-H"	76.91904
"610789"	959.14104	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+2K-H"	76.91904
"1088013"	370.99304	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2K-H"	76.91904
"147750"	333.037158	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"2M+2K"	77.926316
"583300"	480.074158	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"3M+2K"	77.926316
"1071822"	186.000158	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2K"	77.926316
"1109411"	373.007592	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2K+H"	78.933592
"1339235"	373.095207	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+DMSO+H"	79.021207
"1007033"	377.134376	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2ACN+H"	83.060376
"1526250"	378.128008	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+IsoProp+Na+H"	84.054008
"990512"	189.070826	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+2ACN+2H"	84.067652
"1593401"	379.042628	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+K+HCOOH"	84.968628
"1414808"	409.074138	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+H+CF3COOH"	115.000138
"1155913"	209.584101	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+3ACN+2H"	125.094202
"1701089"	426.100685	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+NH4+CF3COOH"	132.026685
"1638927"	431.05608	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+Na+CF3COOH"	136.98208
"1578950"	447.03002	"C17017"	"Cyclic dehypoxanthine futalosine"	"C14H14O7"	"294.074"	"M+K+CF3COOH"	152.95602
"809320"	204.0423	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M"	0
"979573"	185.02391	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-H2O-H"	-19.01839
"63803"	135.020924	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M-3H"	-3.021828
"504093"	203.035024	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M-3H"	-3.021828
"881405"	67.006824	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-3H"	-3.021828
"1922"	203.035024	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M-2H"	-2.014552
"444406"	305.056174	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M-2H"	-2.014552
"821114"	101.013874	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-2H"	-2.014552
"82200"	407.077324	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M-H"	-1.007276
"519693"	611.119624	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M-H"	-1.007276
"898838"	203.035024	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-H"	-1.007276
"50659"	424.103871	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M-2H+NH4"	16.019271
"492404"	628.146171	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M-2H+NH4"	16.019271
"869116"	220.061571	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-2H+NH4"	16.019271
"40300"	429.059266	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M-2H+Na"	20.974666
"474395"	633.101566	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M-2H+Na"	20.974666
"854382"	225.016966	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-2H+Na"	20.974666
"1622819"	225.016966	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Na-2H"	20.974666
"96071"	221.023363	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M-H+Cl"	33.962126
"535632"	323.044513	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M-H+Cl"	33.962126
"928053"	119.002213	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-H+Cl"	33.962126
"269892"	443.054002	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+Cl"	34.969402
"661096"	647.096302	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+Cl"	34.969402
"1280185"	239.011702	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Cl"	34.969402
"17150"	445.033206	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M-2H+K"	36.948606
"456956"	649.075506	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M-2H+K"	36.948606
"835730"	240.990906	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-2H+K"	36.948606
"1556424"	240.990906	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+K-2H"	36.948606
"947101"	249.040494	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-H+HCOOH"	44.998194
"364585"	453.082801	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+HCOOH-H"	44.998201
"349560"	467.098451	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+Hac-H"	59.013851
"1497299"	263.056151	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Hac-H"	59.013851
"963383"	271.022451	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-H+NaCOOH"	66.980151
"111201"	239.011702	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+2Cl"	69.938804
"551489"	341.032852	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+2Cl"	69.938804
"1021627"	136.990552	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2Cl"	69.938804
"1247893"	282.961185	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Br"	78.918885
"1307426"	285.017172	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Cl+HCOOH"	80.974872
"1321639"	306.999129	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Cl+NaCOOH"	102.956829
"911967"	317.027886	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M-H+CF3COOH"	112.985586
"1289771"	353.004564	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Cl+CF3COOH"	148.962264
"1369025"	169.029624	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H-2H2O"	-35.012676
"1383970"	187.0396	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H-H2O"	-17.0027
"285113"	409.091876	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+H"	1.007276
"682275"	613.134176	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+H"	1.007276
"1353886"	205.049576	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H"	1.007276
"130426"	205.049576	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+2H"	2.014552
"569989"	307.070726	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+2H"	2.014552
"1042070"	103.028426	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2H"	2.014552
"205956"	137.035476	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+3H"	3.021828
"645276"	205.049576	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+3H"	3.021828
"1166560"	69.021376	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+3H"	3.021828
"426553"	426.118423	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+NH4"	18.033823
"790826"	630.160723	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+NH4"	18.033823
"1687165"	222.076123	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+NH4"	18.033823
"335442"	213.5628495	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+H+NH4"	19.041099
"725673"	315.5839995	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+H+NH4"	19.041099
"1483869"	111.5416995	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H+NH4"	19.041099
"398176"	431.073818	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+Na"	22.989218
"759170"	635.116118	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+Na"	22.989218
"1606175"	227.031518	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Na"	22.989218
"318398"	216.040547	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+H+Na"	23.996494
"710088"	318.061697	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+H+Na"	23.996494
"1463669"	114.019397	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H+Na"	23.996494
"1056791"	76.34869	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2H+Na"	25.00377
"1261756"	237.075786	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+CH3OH+H"	33.033486
"378871"	447.047758	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+K"	38.963158
"740598"	651.090058	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+K"	38.963158
"1545929"	243.005458	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+K"	38.963158
"314098"	224.027517	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+H+K"	39.970434
"706104"	326.048667	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+H+K"	39.970434
"1459927"	122.006367	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H+K"	39.970434
"237596"	450.118426	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+ACN+H"	42.033826
"1215770"	246.076126	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+ACN+H"	42.033826
"1201838"	123.541701	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+ACN+2H"	43.041102
"200175"	453.05576	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+2Na-H"	44.97116
"639369"	657.09806	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+2Na-H"	44.97116
"1138867"	249.01346	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2Na-H"	44.97116
"181063"	227.031518	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+2Na"	45.978436
"618802"	329.052668	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+2Na"	45.978436
"1124128"	125.010368	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2Na"	45.978436
"1408746"	83.676004	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H+2Na"	46.985712
"1438677"	251.055046	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H+HCOOH"	47.012746
"223997"	232.06454	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+3H2O+2H"	56.04448
"1518622"	265.10709	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+IsoProp+H"	61.06479
"420861"	235.018488	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+Na+K"	61.952376
"777118"	337.039638	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+Na+K"	61.952376
"1676372"	132.997338	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Na+K"	61.952376
"256694"	472.100368	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+ACN+Na"	64.015768
"1231588"	268.058068	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+ACN+Na"	64.015768
"1718291"	268.081593	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+NH4+HCOOH"	64.039293
"1189845"	91.003318	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+3Na"	68.967654
"1664115"	273.036988	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Na+HCOOH"	68.994688
"171826"	485.00364	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+2K-H"	76.91904
"610535"	689.04594	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+2K-H"	76.91904
"1088852"	280.96134	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2K-H"	76.91904
"146765"	243.005458	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"2M+2K"	77.926316
"584504"	345.026608	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"3M+2K"	77.926316
"1071203"	140.984308	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2K"	77.926316
"1111707"	282.975892	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2K+H"	78.933592
"1341531"	283.063507	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+DMSO+H"	79.021207
"1007872"	287.102676	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2ACN+H"	83.060376
"1527089"	288.096308	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+IsoProp+Na+H"	84.054008
"991352"	144.054976	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+2ACN+2H"	84.067652
"1590231"	289.010928	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+K+HCOOH"	84.968628
"1419171"	319.042438	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+H+CF3COOH"	115.000138
"1154929"	164.568251	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+3ACN+2H"	125.094202
"1704479"	336.068985	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+NH4+CF3COOH"	132.026685
"1639037"	341.02438	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+Na+CF3COOH"	136.98208
"1579060"	356.99832	"C17018"	"14-Dihydroxy-6-naphthoate"	"C11H8O4"	"204.0423"	"M+K+CF3COOH"	152.95602
"809430"	225.1154	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M"	0
"982963"	206.09701	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-H2O-H"	-19.01839
"64764"	149.069657333333	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M-3H"	-3.021828
"503352"	224.108124	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M-3H"	-3.021828
"880910"	74.0311906666667	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-3H"	-3.021828
"332"	224.108124	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M-2H"	-2.014552
"446702"	336.665824	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M-2H"	-2.014552
"823410"	111.550424	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-2H"	-2.014552
"83403"	449.223524	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M-H"	-1.007276
"521869"	674.338924	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M-H"	-1.007276
"897491"	224.108124	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-H"	-1.007276
"50769"	466.250071	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M-2H+NH4"	16.019271
"492513"	691.365471	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M-2H+NH4"	16.019271
"868133"	241.134671	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-2H+NH4"	16.019271
"37130"	471.205466	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M-2H+Na"	20.974666
"474504"	696.320866	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M-2H+Na"	20.974666
"855585"	246.090066	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-2H+Na"	20.974666
"1619647"	246.090066	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Na-2H"	20.974666
"97274"	242.096463	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M-H+Cl"	33.962126
"535013"	354.654163	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M-H+Cl"	33.962126
"928163"	129.538763	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-H+Cl"	33.962126
"271095"	485.200202	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+Cl"	34.969402
"660964"	710.315602	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+Cl"	34.969402
"1273856"	260.084802	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Cl"	34.969402
"18477"	487.179406	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M-2H+K"	36.948606
"455891"	712.294806	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M-2H+K"	36.948606
"833770"	262.064006	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-2H+K"	36.948606
"1558230"	262.064006	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+K-2H"	36.948606
"948301"	270.113594	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-H+HCOOH"	44.998194
"364329"	495.229001	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+HCOOH-H"	44.998201
"349306"	509.244651	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+Hac-H"	59.013851
"1495221"	284.129251	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Hac-H"	59.013851
"965682"	292.095551	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-H+NaCOOH"	66.980151
"111311"	260.084802	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+2Cl"	69.938804
"555246"	372.642502	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+2Cl"	69.938804
"1022953"	147.527102	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2Cl"	69.938804
"1243991"	304.034285	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Br"	78.918885
"1309360"	306.090272	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Cl+HCOOH"	80.974872
"1322843"	328.072229	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Cl+NaCOOH"	102.956829
"912445"	338.100986	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M-H+CF3COOH"	112.985586
"1290612"	374.077664	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Cl+CF3COOH"	148.962264
"1374969"	190.102724	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H-2H2O"	-35.012676
"1384446"	208.1127	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H-H2O"	-17.0027
"285590"	451.238076	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+H"	1.007276
"684572"	676.353476	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+H"	1.007276
"1354360"	226.122676	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H"	1.007276
"129805"	226.122676	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+2H"	2.014552
"567909"	338.680376	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+2H"	2.014552
"1039258"	113.564976	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2H"	2.014552
"205702"	151.084209333333	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+3H"	3.021828
"647451"	226.122676	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+3H"	3.021828
"1167763"	76.0457426666667	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+3H"	3.021828
"429941"	468.264623	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+NH4"	18.033823
"794217"	693.380023	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+NH4"	18.033823
"1688361"	243.149223	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+NH4"	18.033823
"336641"	234.6359495	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+H+NH4"	19.041099
"731248"	347.1936495	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+H+NH4"	19.041099
"1481788"	122.0782495	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H+NH4"	19.041099
"397190"	473.220018	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+Na"	22.989218
"759278"	698.335418	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+Na"	22.989218
"1608468"	248.104618	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Na"	22.989218
"321786"	237.113647	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+H+Na"	23.996494
"713112"	349.671347	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+H+Na"	23.996494
"1465842"	124.555947	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H+Na"	23.996494
"1060182"	83.3730566666667	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2H+Na"	25.00377
"1258946"	258.148886	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+CH3OH+H"	33.033486
"383717"	489.193958	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+K"	38.963158
"744712"	714.309358	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+K"	38.963158
"1548953"	264.078558	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+K"	38.963158
"306127"	245.100617	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+H+K"	39.970434
"704026"	357.658317	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+H+K"	39.970434
"1457486"	132.542917	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H+K"	39.970434
"248273"	492.264626	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+ACN+H"	42.033826
"1214786"	267.149226	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+ACN+H"	42.033826
"1199764"	134.078251	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+ACN+2H"	43.041102
"195913"	495.20196	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+2Na-H"	44.97116
"638753"	720.31736	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+2Na-H"	44.97116
"1138975"	270.08656	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2Na-H"	44.97116
"180080"	248.104618	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+2Na"	45.978436
"621828"	360.662318	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+2Na"	45.978436
"1122054"	135.546918	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2Na"	45.978436
"1402296"	90.7003706666667	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H+2Na"	46.985712
"1433321"	272.128146	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H+HCOOH"	47.012746
"225201"	253.13764	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+3H2O+2H"	56.04448
"1513264"	286.18019	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+IsoProp+H"	61.06479
"414044"	256.091588	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+Na+K"	61.952376
"777231"	368.649288	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+Na+K"	61.952376
"1673563"	143.533888	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Na+K"	61.952376
"258991"	514.246568	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+ACN+Na"	64.015768
"1231699"	289.131168	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+ACN+Na"	64.015768
"1718401"	289.154693	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+NH4+HCOOH"	64.039293
"1187039"	98.0276846666667	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+3Na"	68.967654
"1659122"	294.110088	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Na+HCOOH"	68.994688
"169262"	527.14984	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+2K-H"	76.91904
"606633"	752.26524	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+2K-H"	76.91904
"1088960"	302.03444	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2K-H"	76.91904
"146875"	264.078558	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"2M+2K"	77.926316
"584250"	376.636258	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"3M+2K"	77.926316
"1072042"	151.520858	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2K"	77.926316
"1106348"	304.048992	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2K+H"	78.933592
"1339453"	304.136607	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+DMSO+H"	79.021207
"1007131"	308.175776	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2ACN+H"	83.060376
"1528292"	309.169408	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+IsoProp+Na+H"	84.054008
"992553"	154.591526	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+2ACN+2H"	84.067652
"1588153"	310.084028	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+K+HCOOH"	84.968628
"1416001"	340.115538	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+H+CF3COOH"	115.000138
"1158319"	175.104801	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+3ACN+2H"	125.094202
"1706776"	357.142085	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+NH4+CF3COOH"	132.026685
"1641334"	362.09748	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+Na+CF3COOH"	136.98208
"1579170"	378.07142	"C17019"	"Navenone A"	"C15H15NO"	"225.1154"	"M+K+CF3COOH"	152.95602
"809540"	224.1201	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M"	0
"977606"	205.10171	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-H2O-H"	-19.01839
"66939"	148.406124	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M-3H"	-3.021828
"505406"	223.112824	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M-3H"	-3.021828
"882114"	73.699424	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-3H"	-3.021828
"725"	223.112824	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M-2H"	-2.014552
"445719"	335.172874	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M-2H"	-2.014552
"822427"	111.052774	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-2H"	-2.014552
"82419"	447.232924	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M-H"	-1.007276
"521979"	671.353024	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M-H"	-1.007276
"899783"	223.112824	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-H"	-1.007276
"51241"	464.259471	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M-2H+NH4"	16.019271
"492622"	688.379571	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M-2H+NH4"	16.019271
"868239"	240.139371	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-2H+NH4"	16.019271
"37240"	469.214866	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M-2H+Na"	20.974666
"473520"	693.334966	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M-2H+Na"	20.974666
"850229"	245.094766	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-2H+Na"	20.974666
"1619762"	245.094766	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Na-2H"	20.974666
"94588"	241.101163	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M-H+Cl"	33.962126
"534880"	353.161213	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M-H+Cl"	33.962126
"929368"	129.041113	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-H+Cl"	33.962126
"275580"	483.209602	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+Cl"	34.969402
"666908"	707.329702	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+Cl"	34.969402
"1277125"	259.089502	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Cl"	34.969402
"18586"	485.188806	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M-2H+K"	36.948606
"461430"	709.308906	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M-2H+K"	36.948606
"834857"	261.068706	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-2H+K"	36.948606
"1558343"	261.068706	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+K-2H"	36.948606
"946224"	269.118294	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-H+HCOOH"	44.998194
"364074"	493.238401	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+HCOOH-H"	44.998201
"351604"	507.254051	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+Hac-H"	59.013851
"1498250"	283.133951	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Hac-H"	59.013851
"965793"	291.100251	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-H+NaCOOH"	66.980151
"113608"	259.089502	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+2Cl"	69.938804
"553169"	371.149552	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+2Cl"	69.938804
"1025251"	147.029452	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2Cl"	69.938804
"1248113"	303.038985	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Br"	78.918885
"1313845"	305.094972	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Cl+HCOOH"	80.974872
"1328058"	327.076929	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Cl+NaCOOH"	102.956829
"914379"	337.105686	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M-H+CF3COOH"	112.985586
"1293639"	373.082364	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Cl+CF3COOH"	148.962264
"1377267"	189.107424	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H-2H2O"	-35.012676
"1390390"	207.1174	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H-H2O"	-17.0027
"288981"	449.247476	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+H"	1.007276
"685412"	673.367576	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+H"	1.007276
"1355564"	225.127376	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H"	1.007276
"131738"	225.127376	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+2H"	2.014552
"570207"	337.187426	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+2H"	2.014552
"1041192"	113.067326	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2H"	2.014552
"206910"	150.420676	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+3H"	3.021828
"654123"	225.127376	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+3H"	3.021828
"1168967"	75.713976	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+3H"	3.021828
"437344"	466.274023	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+NH4"	18.033823
"798703"	690.394123	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+NH4"	18.033823
"1694307"	242.153923	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+NH4"	18.033823
"336752"	233.6406495	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+H+NH4"	19.041099
"730264"	345.7006995	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+H+NH4"	19.041099
"1484086"	121.5805995	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H+NH4"	19.041099
"399486"	471.229418	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+Na"	22.989218
"762669"	695.349518	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+Na"	22.989218
"1611858"	247.109318	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Na"	22.989218
"325176"	236.118347	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+H+Na"	23.996494
"709944"	348.178397	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+H+Na"	23.996494
"1464860"	124.058297	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H+Na"	23.996494
"1059199"	83.04129	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2H+Na"	25.00377
"1258084"	257.153586	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+CH3OH+H"	33.033486
"380547"	487.203358	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+K"	38.963158
"741543"	711.323458	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+K"	38.963158
"1544691"	263.083258	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+K"	38.963158
"304051"	244.105317	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+H+K"	39.970434
"706922"	356.165367	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+H+K"	39.970434
"1459052"	132.045267	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H+K"	39.970434
"244372"	490.274026	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+ACN+H"	42.033826
"1218178"	266.153926	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+ACN+H"	42.033826
"1197689"	133.580601	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+ACN+2H"	43.041102
"196025"	493.21136	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+2Na-H"	44.97116
"635585"	717.33146	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+2Na-H"	44.97116
"1134716"	269.09126	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2Na-H"	44.97116
"180191"	247.109318	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+2Na"	45.978436
"619751"	359.169368	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+2Na"	45.978436
"1123258"	135.049268	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2Na"	45.978436
"1400582"	90.368604	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H+2Na"	46.985712
"1434523"	271.132846	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H+HCOOH"	47.012746
"228592"	252.14234	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+3H2O+2H"	56.04448
"1513374"	285.18489	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+IsoProp+H"	61.06479
"413061"	255.096288	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+Na+K"	61.952376
"775155"	367.156338	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+Na+K"	61.952376
"1676228"	143.036238	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Na+K"	61.952376
"262382"	512.255968	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+ACN+Na"	64.015768
"1237645"	288.135868	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+ACN+Na"	64.015768
"1721792"	288.159393	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+NH4+HCOOH"	64.039293
"1187149"	97.695918	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+3Na"	68.967654
"1663971"	293.114788	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Na+HCOOH"	68.994688
"168278"	525.15924	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+2K-H"	76.91904
"604558"	749.27934	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+2K-H"	76.91904
"1087977"	301.03914	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2K-H"	76.91904
"146984"	263.083258	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"2M+2K"	77.926316
"592015"	375.143308	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"3M+2K"	77.926316
"1075433"	151.023208	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2K"	77.926316
"1106458"	303.053692	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2K+H"	78.933592
"1336767"	303.141307	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+DMSO+H"	79.021207
"1008092"	307.180476	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2ACN+H"	83.060376
"1528399"	308.174108	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+IsoProp+Na+H"	84.054008
"990839"	154.093876	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+2ACN+2H"	84.067652
"1589354"	309.088728	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+K+HCOOH"	84.968628
"1416109"	339.120238	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+H+CF3COOH"	115.000138
"1148587"	174.607151	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+3ACN+2H"	125.094202
"1700324"	356.146785	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+NH4+CF3COOH"	132.026685
"1641444"	361.10218	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+Na+CF3COOH"	136.98208
"1579280"	377.07612	"C17020"	"Navenone B"	"C16H16O"	"224.1201"	"M+K+CF3COOH"	152.95602
"812930"	240.115	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M"	0
"976623"	221.09661	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-H2O-H"	-19.01839
"63769"	159.069390666667	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M-3H"	-3.021828
"504423"	239.107724	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M-3H"	-3.021828
"882224"	79.0310573333333	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-3H"	-3.021828
"672"	239.107724	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M-2H"	-2.014552
"441454"	359.165224	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M-2H"	-2.014552
"821444"	119.050224	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-2H"	-2.014552
"80343"	479.222724	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M-H"	-1.007276
"519780"	719.337724	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M-H"	-1.007276
"896366"	239.107724	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-H"	-1.007276
"48431"	496.249271	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M-2H+NH4"	16.019271
"489817"	736.364271	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M-2H+NH4"	16.019271
"865069"	256.134271	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-2H+NH4"	16.019271
"37351"	501.204666	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M-2H+Na"	20.974666
"473630"	741.319666	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M-2H+Na"	20.974666
"851433"	261.089666	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-2H+Na"	20.974666
"1619873"	261.089666	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Na-2H"	20.974666
"94359"	257.096063	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M-H+Cl"	33.962126
"535964"	377.153563	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M-H+Cl"	33.962126
"929478"	137.038563	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-H+Cl"	33.962126
"275690"	515.199402	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+Cl"	34.969402
"664831"	755.314402	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+Cl"	34.969402
"1278327"	275.084402	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Cl"	34.969402
"19789"	517.178606	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M-2H+K"	36.948606
"461540"	757.293606	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M-2H+K"	36.948606
"837154"	277.063606	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-2H+K"	36.948606
"1560639"	277.063606	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+K-2H"	36.948606
"944148"	285.113194	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-H+HCOOH"	44.998194
"365645"	525.228201	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+HCOOH-H"	44.998201
"351714"	539.243851	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+Hac-H"	59.013851
"1496172"	299.128851	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Hac-H"	59.013851
"969183"	307.095151	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-H+NaCOOH"	66.980151
"116997"	275.084402	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+2Cl"	69.938804
"553279"	395.141902	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+2Cl"	69.938804
"1024265"	155.026902	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2Cl"	69.938804
"1241899"	319.033885	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Br"	78.918885
"1312862"	321.089872	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Cl+HCOOH"	80.974872
"1328168"	343.071829	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Cl+NaCOOH"	102.956829
"915583"	353.100586	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M-H+CF3COOH"	112.985586
"1298123"	389.077264	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Cl+CF3COOH"	148.962264
"1377377"	205.102324	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H-2H2O"	-35.012676
"1388312"	223.1123	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H-H2O"	-17.0027
"286905"	481.237276	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+H"	1.007276
"683699"	721.352276	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+H"	1.007276
"1356768"	241.122276	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H"	1.007276
"131848"	241.122276	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+2H"	2.014552
"569225"	361.179776	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+2H"	2.014552
"1044583"	121.064776	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2H"	2.014552
"210300"	161.083942666667	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+3H"	3.021828
"654233"	241.122276	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+3H"	3.021828
"1167984"	81.0456093333333	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+3H"	3.021828
"437089"	498.263823	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+NH4"	18.033823
"798083"	738.378823	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+NH4"	18.033823
"1693688"	258.148823	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+NH4"	18.033823
"335769"	249.6355495	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+H+NH4"	19.041099
"729283"	369.6930495	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+H+NH4"	19.041099
"1486383"	129.5780495	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H+NH4"	19.041099
"399597"	503.219218	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+Na"	22.989218
"764238"	743.334218	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+Na"	22.989218
"1610876"	263.104218	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Na"	22.989218
"323100"	252.113247	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+H+Na"	23.996494
"712241"	372.170747	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+H+Na"	23.996494
"1467157"	132.055747	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H+Na"	23.996494
"1062590"	88.3729233333333	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2H+Na"	25.00377
"1263175"	273.148486	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+CH3OH+H"	33.033486
"383937"	519.193158	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+K"	38.963158
"747120"	759.308158	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+K"	38.963158
"1545895"	279.078158	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+K"	38.963158
"302340"	260.100217	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+H+K"	39.970434
"697683"	380.157717	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+H+K"	39.970434
"1452596"	140.042717	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H+K"	39.970434
"245576"	522.263826	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+ACN+H"	42.033826
"1216102"	282.148826	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+ACN+H"	42.033826
"1194883"	141.578051	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+ACN+2H"	43.041102
"192854"	525.20116	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+2Na-H"	44.97116
"636786"	765.31616	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+2Na-H"	44.97116
"1135919"	285.08616	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2Na-H"	44.97116
"175927"	263.104218	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+2Na"	45.978436
"615487"	383.161718	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+2Na"	45.978436
"1120087"	143.046718	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2Na"	45.978436
"1401421"	95.7002373333333	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H+2Na"	46.985712
"1434633"	287.127746	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H+HCOOH"	47.012746
"226514"	268.13724	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+3H2O+2H"	56.04448
"1511297"	301.17979	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+IsoProp+H"	61.06479
"410013"	271.091188	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+Na+K"	61.952376
"778545"	391.148688	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+Na+K"	61.952376
"1678891"	151.033688	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Na+K"	61.952376
"265414"	544.245768	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+ACN+Na"	64.015768
"1237388"	304.130768	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+ACN+Na"	64.015768
"1720808"	304.154293	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+NH4+HCOOH"	64.039293
"1187259"	103.027551333333	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+3Na"	68.967654
"1662257"	309.109688	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Na+HCOOH"	68.994688
"165108"	557.14904	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+2K-H"	76.91904
"602481"	797.26404	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+2K-H"	76.91904
"1087359"	317.03404	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2K-H"	76.91904
"147094"	279.078158	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"2M+2K"	77.926316
"586653"	399.135658	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"3M+2K"	77.926316
"1075541"	159.020658	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2K"	77.926316
"1106568"	319.048592	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2K+H"	78.933592
"1337117"	319.136207	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+DMSO+H"	79.021207
"1008203"	323.175376	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2ACN+H"	83.060376
"1525594"	324.169008	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+IsoProp+Na+H"	84.054008
"991313"	162.091326	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+2ACN+2H"	84.067652
"1588127"	325.083628	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+K+HCOOH"	84.968628
"1415125"	355.115138	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+H+CF3COOH"	115.000138
"1149061"	182.604601	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+3ACN+2H"	125.094202
"1700434"	372.141685	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+NH4+CF3COOH"	132.026685
"1641554"	377.09708	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+Na+CF3COOH"	136.98208
"1579390"	393.07102	"C17021"	"Navenone C"	"C16H16O2"	"240.115"	"M+K+CF3COOH"	152.95602
"815596"	640.4186	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M"	0
"983296"	621.40021	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-H2O-H"	-19.01839
"64005"	425.938457333333	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M-3H"	-3.021828
"507818"	639.411324	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M-3H"	-3.021828
"880637"	212.465590666667	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-3H"	-3.021828
"2006"	639.411324	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M-2H"	-2.014552
"448130"	959.620624	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M-2H"	-2.014552
"822650"	319.202024	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-2H"	-2.014552
"82638"	1279.829924	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M-H"	-1.007276
"523298"	1920.248524	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M-H"	-1.007276
"898184"	639.411324	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-H"	-1.007276
"50008"	1296.856471	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M-2H+NH4"	16.019271
"490665"	1937.275071	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M-2H+NH4"	16.019271
"872842"	656.437871	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-2H+NH4"	16.019271
"38557"	1301.811866	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M-2H+Na"	20.974666
"473741"	1942.230466	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M-2H+Na"	20.974666
"851546"	661.393266	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-2H+Na"	20.974666
"1623265"	661.393266	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Na-2H"	20.974666
"105264"	657.399663	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M-H+Cl"	33.962126
"542635"	977.608963	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M-H+Cl"	33.962126
"937246"	337.190363	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-H+Cl"	33.962126
"278717"	1315.806602	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+Cl"	34.969402
"669319"	1956.225202	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+Cl"	34.969402
"1284636"	675.388002	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Cl"	34.969402
"24279"	1317.785806	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M-2H+K"	36.948606
"463840"	1958.204406	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M-2H+K"	36.948606
"839453"	677.367206	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-2H+K"	36.948606
"1562940"	677.367206	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+K-2H"	36.948606
"945718"	685.416794	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-H+HCOOH"	44.998194
"364297"	1325.835401	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+HCOOH-H"	44.998201
"349273"	1339.851051	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+Hac-H"	59.013851
"1499565"	699.432451	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Hac-H"	59.013851
"967107"	707.398751	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-H+NaCOOH"	66.980151
"112368"	675.388002	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+2Cl"	69.938804
"552295"	995.597302	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+2Cl"	69.938804
"1023647"	355.178702	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2Cl"	69.938804
"1251613"	719.337485	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Br"	78.918885
"1316251"	721.393472	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Cl+HCOOH"	80.974872
"1328278"	743.375429	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Cl+NaCOOH"	102.956829
"918246"	753.404186	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M-H+CF3COOH"	112.985586
"1297142"	789.380864	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Cl+CF3COOH"	148.962264
"1377489"	605.405924	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H-2H2O"	-35.012676
"1390610"	623.4159	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H-H2O"	-17.0027
"291392"	1281.844476	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+H"	1.007276
"684905"	1922.263076	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+H"	1.007276
"1359065"	641.425876	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H"	1.007276
"129774"	641.425876	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+2H"	2.014552
"572616"	961.635176	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+2H"	2.014552
"1041413"	321.216576	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2H"	2.014552
"210411"	427.953009333333	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+3H"	3.021828
"657261"	641.425876	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+3H"	3.021828
"1172472"	214.480142666667	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+3H"	3.021828
"431369"	1298.871023	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+NH4"	18.033823
"798926"	1939.289623	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+NH4"	18.033823
"1693798"	658.452423	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+NH4"	18.033823
"343533"	649.9391495	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+H+NH4"	19.041099
"728300"	970.1484495	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+H+NH4"	19.041099
"1483214"	329.7298495	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H+NH4"	19.041099
"397521"	1303.826418	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+Na"	22.989218
"760703"	1944.245018	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+Na"	22.989218
"1608800"	663.407818	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Na"	22.989218
"317745"	652.416847	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+H+Na"	23.996494
"709074"	972.626147	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+H+Na"	23.996494
"1470548"	332.207547	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H+Na"	23.996494
"1059420"	221.807456666667	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2H+Na"	25.00377
"1262194"	673.452086	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+CH3OH+H"	33.033486
"380769"	1319.800358	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+K"	38.963158
"747234"	1960.218958	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+K"	38.963158
"1546006"	679.381758	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+K"	38.963158
"303182"	660.403817	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+H+K"	39.970434
"702168"	980.613117	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+H+K"	39.970434
"1458176"	340.194517	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H+K"	39.970434
"245686"	1322.871026	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+ACN+H"	42.033826
"1216213"	682.452426	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+ACN+H"	42.033826
"1197181"	341.729851	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+ACN+2H"	43.041102
"194057"	1325.80836	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+2Na-H"	44.97116
"635802"	1966.22696	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+2Na-H"	44.97116
"1136028"	685.38976	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2Na-H"	44.97116
"179316"	663.407818	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+2Na"	45.978436
"615596"	983.617118	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+2Na"	45.978436
"1120195"	343.198518	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2Na"	45.978436
"1400439"	229.134770666667	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H+2Na"	46.985712
"1431463"	687.431346	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H+HCOOH"	47.012746
"222616"	668.44084	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+3H2O+2H"	56.04448
"1510315"	701.48339	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+IsoProp+H"	61.06479
"412190"	671.394788	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+Na+K"	61.952376
"772095"	991.604088	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+Na+K"	61.952376
"1679001"	351.185488	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Na+K"	61.952376
"253855"	1344.852968	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+ACN+Na"	64.015768
"1228752"	704.434368	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+ACN+Na"	64.015768
"1720922"	704.457893	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+NH4+HCOOH"	64.039293
"1187369"	236.462084666667	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+3Na"	68.967654
"1662731"	709.413288	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Na+HCOOH"	68.994688
"166312"	1357.75624	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+2K-H"	76.91904
"600406"	1998.17484	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+2K-H"	76.91904
"1092575"	717.33764	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2K-H"	76.91904
"153766"	679.381758	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"2M+2K"	77.926316
"588951"	999.591058	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"3M+2K"	77.926316
"1070550"	359.172458	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2K"	77.926316
"1109960"	719.352192	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2K+H"	78.933592
"1337597"	719.439807	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+DMSO+H"	79.021207
"1014875"	723.478976	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2ACN+H"	83.060376
"1524734"	724.472608	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+IsoProp+Na+H"	84.054008
"996168"	362.243126	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+2ACN+2H"	84.067652
"1589574"	725.387228	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+K+HCOOH"	84.968628
"1414386"	755.418738	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+H+CF3COOH"	115.000138
"1148807"	382.756401	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+3ACN+2H"	125.094202
"1697136"	772.445285	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+NH4+CF3COOH"	132.026685
"1638383"	777.40068	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+Na+CF3COOH"	136.98208
"1582781"	793.37462	"C17024"	"Mosesin 4"	"C35H60O10"	"640.4186"	"M+K+CF3COOH"	152.95602
"806591"	1130.4815	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M"	0
"976845"	1111.46311	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-H2O-H"	-19.01839
"64354"	752.647057333333	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M-3H"	-3.021828
"504648"	1129.474224	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M-3H"	-3.021828
"881355"	375.819890666667	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-3H"	-3.021828
"4301"	1129.474224	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M-2H"	-2.014552
"443866"	1694.714974	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M-2H"	-2.014552
"822759"	564.233474	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-2H"	-2.014552
"82748"	2259.955724	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M-H"	-1.007276
"523408"	3390.437224	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M-H"	-1.007276
"899024"	1129.474224	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-H"	-1.007276
"49267"	2276.982271	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M-2H+NH4"	16.019271
"491869"	3407.463771	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M-2H+NH4"	16.019271
"876234"	1146.500771	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-2H+NH4"	16.019271
"41947"	2281.937666	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M-2H+Na"	20.974666
"477133"	3412.419166	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M-2H+Na"	20.974666
"851656"	1151.456166	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-2H+Na"	20.974666
"1625562"	1151.456166	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Na-2H"	20.974666
"104281"	1147.462563	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M-H+Cl"	33.962126
"542745"	1712.703313	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M-H+Cl"	33.962126
"932982"	582.221813	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-H+Cl"	33.962126
"277004"	2295.932402	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+Cl"	34.969402
"670521"	3426.413902	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+Cl"	34.969402
"1284016"	1165.450902	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Cl"	34.969402
"21471"	2297.911606	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M-2H+K"	36.948606
"465041"	3428.393106	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M-2H+K"	36.948606
"839563"	1167.430106	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-2H+K"	36.948606
"1563050"	1167.430106	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+K-2H"	36.948606
"946557"	1175.479694	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-H+HCOOH"	44.998194
"365134"	2305.961201	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+HCOOH-H"	44.998201
"349018"	2319.976851	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+Hac-H"	59.013851
"1497121"	1189.495351	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Hac-H"	59.013851
"968310"	1197.461651	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-H+NaCOOH"	66.980151
"114303"	1165.450902	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+2Cl"	69.938804
"552769"	1730.691652	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+2Cl"	69.938804
"1023757"	600.210152	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2Cl"	69.938804
"1248443"	1209.400385	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Br"	78.918885
"1315998"	1211.456372	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Cl+HCOOH"	80.974872
"1325108"	1233.438329	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Cl+NaCOOH"	102.956829
"922732"	1243.467086	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M-H+CF3COOH"	112.985586
"1299439"	1279.443764	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Cl+CF3COOH"	148.962264
"1376506"	1095.468824	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H-2H2O"	-35.012676
"1393272"	1113.4788	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H-H2O"	-17.0027
"291502"	2261.970276	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+H"	1.007276
"681735"	3392.451776	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+H"	1.007276
"1356989"	1131.488776	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H"	1.007276
"130248"	1131.488776	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+2H"	2.014552
"573819"	1696.729526	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+2H"	2.014552
"1042617"	566.248026	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2H"	2.014552
"210520"	754.661609333333	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+3H"	3.021828
"656641"	1131.488776	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+3H"	3.021828
"1172582"	377.834442666667	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+3H"	3.021828
"434759"	2278.996823	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+NH4"	18.033823
"799401"	3409.478323	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+NH4"	18.033823
"1694638"	1148.515323	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+NH4"	18.033823
"344010"	1140.0020495	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+H+NH4"	19.041099
"729503"	1705.2427995	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+H+NH4"	19.041099
"1481139"	574.7612995	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H+NH4"	19.041099
"394716"	2283.952218	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+Na"	22.989218
"759720"	3414.433718	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+Na"	22.989218
"1608910"	1153.470718	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Na"	22.989218
"316398"	1142.479747	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+H+Na"	23.996494
"711370"	1707.720497	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+H+Na"	23.996494
"1470659"	577.238997	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H+Na"	23.996494
"1061717"	385.161756666667	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2H+Na"	25.00377
"1262303"	1163.514986	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+CH3OH+H"	33.033486
"385252"	2299.926158	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+K"	38.963158
"750624"	3430.407658	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+K"	38.963158
"1546116"	1169.444658	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+K"	38.963158
"303292"	1150.466717	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+H+K"	39.970434
"701185"	1715.707467	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+H+K"	39.970434
"1455006"	585.225967	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H+K"	39.970434
"245796"	2302.996826	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+ACN+H"	42.033826
"1217414"	1172.515326	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+ACN+H"	42.033826
"1200205"	586.761301	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+ACN+2H"	43.041102
"195260"	2305.93416	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+2Na-H"	44.97116
"632633"	3436.41566	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+2Na-H"	44.97116
"1137231"	1175.45266	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2Na-H"	44.97116
"178332"	1153.470718	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+2Na"	45.978436
"616434"	1718.711468	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+2Na"	45.978436
"1121399"	588.229968	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2Na"	45.978436
"1400913"	392.489070666667	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H+2Na"	46.985712
"1431571"	1177.494246	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H+HCOOH"	47.012746
"224547"	1158.50374	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+3H2O+2H"	56.04448
"1513704"	1191.54629	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+IsoProp+H"	61.06479
"411569"	1161.457688	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+Na+K"	61.952376
"776577"	1726.698438	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+Na+K"	61.952376
"1676192"	596.216938	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Na+K"	61.952376
"256153"	2324.978768	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+ACN+Na"	64.015768
"1233237"	1194.497268	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+ACN+Na"	64.015768
"1715562"	1194.520793	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+NH4+HCOOH"	64.039293
"1187479"	399.816384666667	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+3Na"	68.967654
"1660654"	1199.476188	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Na+HCOOH"	68.994688
"165328"	2337.88204	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+2K-H"	76.91904
"598328"	3468.36354	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+2K-H"	76.91904
"1089405"	1207.40054	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2K-H"	76.91904
"150596"	1169.444658	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"2M+2K"	77.926316
"584687"	1734.685408	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"3M+2K"	77.926316
"1069201"	604.203908	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2K"	77.926316
"1106790"	1209.415092	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2K+H"	78.933592
"1337707"	1209.502707	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+DMSO+H"	79.021207
"1013892"	1213.541876	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2ACN+H"	83.060376
"1525210"	1214.535508	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+IsoProp+Na+H"	84.054008
"996278"	607.274576	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+2ACN+2H"	84.067652
"1587622"	1215.450128	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+K+HCOOH"	84.968628
"1414497"	1245.481638	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+H+CF3COOH"	115.000138
"1151104"	627.787851	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+3ACN+2H"	125.094202
"1698469"	1262.508185	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+NH4+CF3COOH"	132.026685
"1641773"	1267.46358	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+Na+CF3COOH"	136.98208
"1582891"	1283.43752	"C17025"	"Holothurin"	"C50H82O26S"	"1130.4815"	"M+K+CF3COOH"	152.95602
"803421"	434.2305	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M"	0
"980234"	415.21211	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-H2O-H"	-19.01839
"67382"	288.479724	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M-3H"	-3.021828
"506940"	433.223224	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M-3H"	-3.021828
"883648"	143.736224	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-3H"	-3.021828
"2224"	433.223224	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M-2H"	-2.014552
"441783"	650.338474	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M-2H"	-2.014552
"820679"	216.107974	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-2H"	-2.014552
"83954"	867.453724	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M-H"	-1.007276
"521326"	1301.684224	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M-H"	-1.007276
"901316"	433.223224	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-H"	-1.007276
"49861"	884.480271	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M-2H+NH4"	16.019271
"497446"	1318.710771	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M-2H+NH4"	16.019271
"875249"	450.249771	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-2H+NH4"	16.019271
"40962"	889.435666	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M-2H+Na"	20.974666
"482711"	1323.666166	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M-2H+Na"	20.974666
"855046"	455.205166	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-2H+Na"	20.974666
"1628951"	455.205166	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Na-2H"	20.974666
"102201"	451.211563	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M-H+Cl"	33.962126
"539576"	668.326813	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M-H+Cl"	33.962126
"933091"	234.096313	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-H+Cl"	33.962126
"273834"	903.430402	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+Cl"	34.969402
"667350"	1337.660902	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+Cl"	34.969402
"1278658"	469.199902	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Cl"	34.969402
"20119"	905.409606	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M-2H+K"	36.948606
"461870"	1339.640106	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M-2H+K"	36.948606
"841857"	471.179106	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-2H+K"	36.948606
"1560972"	471.179106	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+K-2H"	36.948606
"949946"	479.228694	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-H+HCOOH"	44.998194
"367067"	913.459201	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+HCOOH-H"	44.998201
"350586"	927.474851	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+Hac-H"	59.013851
"1498693"	493.244351	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Hac-H"	59.013851
"962953"	501.210651	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-H+NaCOOH"	66.980151
"114411"	469.199902	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+2Cl"	69.938804
"554337"	686.315152	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+2Cl"	69.938804
"1023258"	252.084652	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2Cl"	69.938804
"1248553"	513.149385	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Br"	78.918885
"1313191"	515.205372	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Cl+HCOOH"	80.974872
"1328502"	537.187329	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Cl+NaCOOH"	102.956829
"923934"	547.216086	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M-H+CF3COOH"	112.985586
"1292623"	583.192764	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Cl+CF3COOH"	148.962264
"1377709"	399.217824	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H-2H2O"	-35.012676
"1390833"	417.2278	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H-H2O"	-17.0027
"291612"	869.468276	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+H"	1.007276
"682938"	1303.698776	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+H"	1.007276
"1357107"	435.237776	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H"	1.007276
"129266"	435.237776	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+2H"	2.014552
"569555"	652.353026	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+2H"	2.014552
"1042727"	218.122526	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2H"	2.014552
"212814"	290.494276	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+3H"	3.021828
"656751"	435.237776	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+3H"	3.021828
"1172689"	145.750776	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+3H"	3.021828
"438150"	886.494823	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+NH4"	18.033823
"798779"	1320.725323	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+NH4"	18.033823
"1695842"	452.264323	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+NH4"	18.033823
"341566"	443.7510495	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+H+NH4"	19.041099
"725243"	660.8662995	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+H+NH4"	19.041099
"1481612"	226.6357995	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H+NH4"	19.041099
"396648"	891.450218	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+Na"	22.989218
"757644"	1325.680718	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+Na"	22.989218
"1607927"	457.219718	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Na"	22.989218
"321244"	446.228747	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+H+Na"	23.996494
"710749"	663.343997	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+H+Na"	23.996494
"1470768"	229.113497	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H+Na"	23.996494
"1057453"	153.07809	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2H+Na"	25.00377
"1264599"	467.263986	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+CH3OH+H"	33.033486
"384269"	907.424158	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+K"	38.963158
"749639"	1341.654658	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+K"	38.963158
"1550598"	473.193658	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+K"	38.963158
"304499"	454.215717	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+H+K"	39.970434
"701295"	671.330967	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+H+K"	39.970434
"1454023"	237.100467	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H+K"	39.970434
"248094"	910.494826	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+ACN+H"	42.033826
"1222992"	476.264326	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+ACN+H"	42.033826
"1204686"	238.635801	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+ACN+2H"	43.041102
"197557"	913.43216	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+2Na-H"	44.97116
"633836"	1347.66266	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+2Na-H"	44.97116
"1136609"	479.20166	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2Na-H"	44.97116
"179535"	457.219718	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+2Na"	45.978436
"615085"	674.334968	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+2Na"	45.978436
"1119322"	240.104468	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2Na"	45.978436
"1401752"	160.405404	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H+2Na"	46.985712
"1432774"	481.243246	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H+HCOOH"	47.012746
"225752"	462.25274	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+3H2O+2H"	56.04448
"1513814"	495.29529	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+IsoProp+H"	61.06479
"416782"	465.206688	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+Na+K"	61.952376
"774499"	682.321938	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+Na+K"	61.952376
"1676298"	248.091438	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Na+K"	61.952376
"260638"	932.476768	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+ACN+Na"	64.015768
"1233346"	498.246268	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+ACN+Na"	64.015768
"1721142"	498.269793	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+NH4+HCOOH"	64.039293
"1184310"	167.732718	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+3Na"	68.967654
"1659670"	503.225188	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Na+HCOOH"	68.994688
"166532"	945.38004	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+2K-H"	76.91904
"601719"	1379.61054	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+2K-H"	76.91904
"1090608"	511.14954	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2K-H"	76.91904
"153986"	473.193658	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"2M+2K"	77.926316
"585890"	690.308908	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"3M+2K"	77.926316
"1070769"	256.078408	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2K"	77.926316
"1106900"	513.164092	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2K+H"	78.933592
"1344378"	513.251707	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+DMSO+H"	79.021207
"1011814"	517.290876	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2ACN+H"	83.060376
"1525566"	518.284508	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+IsoProp+Na+H"	84.054008
"996388"	259.149076	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+2ACN+2H"	84.067652
"1587612"	519.199128	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+K+HCOOH"	84.968628
"1414486"	549.230638	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+H+CF3COOH"	115.000138
"1154495"	279.662351	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+3ACN+2H"	125.094202
"1704046"	566.257185	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+NH4+CF3COOH"	132.026685
"1638602"	571.21258	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+Na+CF3COOH"	136.98208
"1575350"	587.18652	"C17029"	"Nigakilactone C;Quassin"	"C24H34O7"	"434.2305"	"M+K+CF3COOH"	152.95602
"804624"	450.2254	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M"	0
"980344"	431.20701	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-H2O-H"	-19.01839
"69678"	299.142990666667	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M-3H"	-3.021828
"507050"	449.218124	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M-3H"	-3.021828
"883759"	149.067857333333	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-3H"	-3.021828
"1238"	449.218124	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M-2H"	-2.014552
"442988"	674.330824	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M-2H"	-2.014552
"820790"	224.105424	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-2H"	-2.014552
"79688"	899.443524	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M-H"	-1.007276
"518959"	1349.668924	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M-H"	-1.007276
"898145"	449.218124	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-H"	-1.007276
"51432"	916.470071	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M-2H+NH4"	16.019271
"498649"	1366.695471	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M-2H+NH4"	16.019271
"874264"	466.244671	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-2H+NH4"	16.019271
"43258"	921.425466	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M-2H+Na"	20.974666
"476258"	1371.650866	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M-2H+Na"	20.974666
"860622"	471.200066	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-2H+Na"	20.974666
"1629061"	471.200066	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Na-2H"	20.974666
"103404"	467.206463	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M-H+Cl"	33.962126
"542966"	692.319163	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M-H+Cl"	33.962126
"937574"	242.093763	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-H+Cl"	33.962126
"272850"	935.420202	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+Cl"	34.969402
"664178"	1385.645602	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+Cl"	34.969402
"1276580"	485.194802	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Cl"	34.969402
"16582"	937.399406	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M-2H+K"	36.948606
"464165"	1387.624806	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M-2H+K"	36.948606
"841967"	487.174006	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-2H+K"	36.948606
"1562175"	487.174006	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+K-2H"	36.948606
"950056"	495.223594	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-H+HCOOH"	44.998194
"367177"	945.449001	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+HCOOH-H"	44.998201
"350696"	959.464651	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+Hac-H"	59.013851
"1498803"	509.239251	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Hac-H"	59.013851
"962698"	517.205551	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-H+NaCOOH"	66.980151
"113793"	485.194802	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+2Cl"	69.938804
"554447"	710.307502	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+2Cl"	69.938804
"1023247"	260.082102	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2Cl"	69.938804
"1250849"	529.144285	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Br"	78.918885
"1315487"	531.200272	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Cl+HCOOH"	80.974872
"1327514"	553.182229	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Cl+NaCOOH"	102.956829
"920762"	563.210986	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M-H+CF3COOH"	112.985586
"1301479"	599.187664	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Cl+CF3COOH"	148.962264
"1380369"	415.212724	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H-2H2O"	-35.012676
"1388756"	433.2227	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H-H2O"	-17.0027
"289535"	901.458076	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+H"	1.007276
"681954"	1351.683476	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+H"	1.007276
"1355030"	451.232676	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H"	1.007276
"131199"	451.232676	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+2H"	2.014552
"570758"	676.345376	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+2H"	2.014552
"1046117"	226.119976	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2H"	2.014552
"211831"	301.157542666667	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+3H"	3.021828
"658684"	451.232676	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+3H"	3.021828
"1172799"	151.082409333333	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+3H"	3.021828
"437896"	918.484623	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+NH4"	18.033823
"797796"	1368.710023	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+NH4"	18.033823
"1695589"	468.259223	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+NH4"	18.033823
"341676"	459.7459495	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+H+NH4"	19.041099
"727540"	684.8586495	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+H+NH4"	19.041099
"1482451"	234.6332495	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H+NH4"	19.041099
"396758"	923.440018	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+Na"	22.989218
"757754"	1373.665418	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+Na"	22.989218
"1609130"	473.214618	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Na"	22.989218
"323540"	462.223647	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+H+Na"	23.996494
"714867"	687.336347	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+H+Na"	23.996494
"1470878"	237.110947	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H+Na"	23.996494
"1061937"	158.409723333333	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2H+Na"	25.00377
"1266895"	483.258886	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+CH3OH+H"	33.033486
"383285"	939.413958	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+K"	38.963158
"748655"	1389.639358	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+K"	38.963158
"1548520"	489.188558	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+K"	38.963158
"302421"	470.210617	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+H+K"	39.970434
"695936"	695.323317	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+H+K"	39.970434
"1455226"	245.097917	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H+K"	39.970434
"249297"	942.484626	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+ACN+H"	42.033826
"1222009"	492.259226	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+ACN+H"	42.033826
"1208076"	246.633251	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+ACN+2H"	43.041102
"193294"	945.42196	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+2Na-H"	44.97116
"633947"	1395.64736	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+2Na-H"	44.97116
"1135263"	495.19656	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2Na-H"	44.97116
"175273"	473.214618	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+2Na"	45.978436
"614832"	698.327318	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+2Na"	45.978436
"1118338"	248.101918	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2Na"	45.978436
"1399067"	165.737037333333	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H+2Na"	46.985712
"1431790"	497.238146	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H+HCOOH"	47.012746
"224769"	478.24764	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+3H2O+2H"	56.04448
"1511737"	511.29019	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+IsoProp+H"	61.06479
"411425"	481.201588	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+Na+K"	61.952376
"772422"	706.314288	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+Na+K"	61.952376
"1670940"	256.088888	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Na+K"	61.952376
"254914"	964.466568	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+ACN+Na"	64.015768
"1232359"	514.241168	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+ACN+Na"	64.015768
"1714687"	514.264693	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+NH4+HCOOH"	64.039293
"1181138"	173.064351333333	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+3Na"	68.967654
"1657593"	519.220088	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Na+HCOOH"	68.994688
"164455"	977.36984	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+2K-H"	76.91904
"601829"	1427.59524	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+2K-H"	76.91904
"1091811"	527.14444	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2K-H"	76.91904
"151909"	489.188558	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"2M+2K"	77.926316
"585271"	714.301258	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"3M+2K"	77.926316
"1072337"	264.075858	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2K"	77.926316
"1110290"	529.158992	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2K+H"	78.933592
"1344489"	529.246607	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+DMSO+H"	79.021207
"1010831"	533.285776	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2ACN+H"	83.060376
"1531144"	534.279408	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+IsoProp+Na+H"	84.054008
"996499"	267.146526	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+2ACN+2H"	84.067652
"1591002"	535.194028	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+K+HCOOH"	84.968628
"1421036"	565.225538	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+H+CF3COOH"	115.000138
"1152419"	287.659801	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+3ACN+2H"	125.094202
"1704156"	582.252085	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+NH4+CF3COOH"	132.026685
"1638712"	587.20748	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+Na+CF3COOH"	136.98208
"1574367"	603.18142	"C17030"	"Nigakilactone E"	"C24H34O8"	"450.2254"	"M+K+CF3COOH"	152.95602
"803641"	408.2148	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M"	0
"980453"	389.19641	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-H2O-H"	-19.01839
"68694"	271.135924	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M-3H"	-3.021828
"506067"	407.207524	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M-3H"	-3.021828
"881682"	135.064324	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-3H"	-3.021828
"619"	407.207524	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M-2H"	-2.014552
"442005"	611.314924	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M-2H"	-2.014552
"819807"	203.100124	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-2H"	-2.014552
"78702"	815.422324	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M-H"	-1.007276
"519475"	1223.637124	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M-H"	-1.007276
"898255"	407.207524	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-H"	-1.007276
"50449"	832.448871	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M-2H+NH4"	16.019271
"499488"	1240.663671	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M-2H+NH4"	16.019271
"872187"	424.234071	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-2H+NH4"	16.019271
"35712"	837.404266	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M-2H+Na"	20.974666
"476368"	1245.619066	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M-2H+Na"	20.974666
"859639"	429.189466	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-2H+Na"	20.974666
"1629171"	429.189466	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Na-2H"	20.974666
"102421"	425.195863	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M-H+Cl"	33.962126
"543076"	629.303263	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M-H+Cl"	33.962126
"936227"	221.088463	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-H+Cl"	33.962126
"271501"	851.399002	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+Cl"	34.969402
"663559"	1259.613802	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+Cl"	34.969402
"1273774"	443.184202	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Cl"	34.969402
"16450"	853.378206	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M-2H+K"	36.948606
"463182"	1261.593006	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M-2H+K"	36.948606
"835880"	445.163406	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-2H+K"	36.948606
"1560462"	445.163406	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+K-2H"	36.948606
"945792"	453.212994	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-H+HCOOH"	44.998194
"366194"	861.427801	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+HCOOH-H"	44.998201
"352265"	875.443451	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+Hac-H"	59.013851
"1498910"	467.228651	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Hac-H"	59.013851
"963172"	475.194951	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-H+NaCOOH"	66.980151
"114266"	443.184202	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+2Cl"	69.938804
"552368"	647.291602	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+2Cl"	69.938804
"1023355"	239.076802	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2Cl"	69.938804
"1247679"	487.133685	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Br"	78.918885
"1317784"	489.189672	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Cl+HCOOH"	80.974872
"1325438"	511.171629	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Cl+NaCOOH"	102.956829
"920870"	521.200386	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M-H+CF3COOH"	112.985586
"1295393"	557.177064	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Cl+CF3COOH"	148.962264
"1374646"	373.202124	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H-2H2O"	-35.012676
"1391049"	391.2121	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H-H2O"	-17.0027
"291831"	817.436876	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+H"	1.007276
"680971"	1225.651676	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+H"	1.007276
"1356233"	409.222076	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H"	1.007276
"132402"	409.222076	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+2H"	2.014552
"570868"	613.329476	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+2H"	2.014552
"1045135"	205.114676	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2H"	2.014552
"211941"	273.150476	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+3H"	3.021828
"658794"	409.222076	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+3H"	3.021828
"1170722"	137.078876	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+3H"	3.021828
"437278"	834.463423	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+NH4"	18.033823
"797541"	1242.678223	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+NH4"	18.033823
"1691324"	426.248623	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+NH4"	18.033823
"340693"	417.7353495	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+H+NH4"	19.041099
"730930"	621.8427495	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+H+NH4"	19.041099
"1483655"	213.6279495	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H+NH4"	19.041099
"399052"	839.418818	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+Na"	22.989218
"758957"	1247.633618	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+Na"	22.989218
"1610333"	431.204018	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Na"	22.989218
"324380"	420.213047	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+H+Na"	23.996494
"713884"	624.320447	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+H+Na"	23.996494
"1469895"	216.105647	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H+Na"	23.996494
"1063140"	144.40619	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2H+Na"	25.00377
"1265912"	441.248286	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+CH3OH+H"	33.033486
"383395"	855.392758	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+K"	38.963158
"748765"	1263.607558	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+K"	38.963158
"1546443"	447.177958	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+K"	38.963158
"302531"	428.200017	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+H+K"	39.970434
"697139"	632.307417	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+H+K"	39.970434
"1454243"	224.092617	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H+K"	39.970434
"247221"	858.463426	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+ACN+H"	42.033826
"1222119"	450.248626	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+ACN+H"	42.033826
"1207093"	225.627951	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+ACN+2H"	43.041102
"194497"	861.40076	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+2Na-H"	44.97116
"634057"	1269.61556	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+2Na-H"	44.97116
"1137560"	453.18596	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2Na-H"	44.97116
"176477"	431.204018	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+2Na"	45.978436
"617128"	635.311418	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+2Na"	45.978436
"1119541"	227.096618	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2Na"	45.978436
"1400148"	151.733504	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H+2Na"	46.985712
"1431900"	455.227546	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H+HCOOH"	47.012746
"227794"	436.23704	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+3H2O+2H"	56.04448
"1512211"	469.27959	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+IsoProp+H"	61.06479
"412262"	439.190988	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+Na+K"	61.952376
"772532"	643.298388	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+Na+K"	61.952376
"1671050"	235.083588	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Na+K"	61.952376
"263038"	880.445368	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+ACN+Na"	64.015768
"1236840"	472.230568	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+ACN+Na"	64.015768
"1714798"	472.254093	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+NH4+HCOOH"	64.039293
"1182341"	159.060818	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+3Na"	68.967654
"1657703"	477.209488	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Na+HCOOH"	68.994688
"167845"	893.34864	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+2K-H"	76.91904
"600846"	1301.56344	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+2K-H"	76.91904
"1094107"	485.13384	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2K-H"	76.91904
"152019"	447.177958	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"2M+2K"	77.926316
"587203"	651.285358	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"3M+2K"	77.926316
"1072081"	243.070558	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2K"	77.926316
"1110400"	487.148392	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2K+H"	78.933592
"1345692"	487.236007	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+DMSO+H"	79.021207
"1010941"	491.275176	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2ACN+H"	83.060376
"1531254"	492.268808	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+IsoProp+Na+H"	84.054008
"996609"	246.141226	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+2ACN+2H"	84.067652
"1591112"	493.183428	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+K+HCOOH"	84.968628
"1421146"	523.214938	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+H+CF3COOH"	115.000138
"1152529"	266.654501	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+3ACN+2H"	125.094202
"1703173"	540.241485	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+NH4+CF3COOH"	132.026685
"1638822"	545.19688	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+Na+CF3COOH"	136.98208
"1575570"	561.17082	"C17031"	"Nigakilactone F"	"C22H32O7"	"408.2148"	"M+K+CF3COOH"	152.95602
"803751"	424.2097	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M"	0
"980563"	405.19131	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-H2O-H"	-19.01839
"72085"	281.799190666667	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M-3H"	-3.021828
"509458"	423.202424	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M-3H"	-3.021828
"885072"	140.395957333333	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-3H"	-3.021828
"4739"	423.202424	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M-2H"	-2.014552
"442115"	635.307274	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M-2H"	-2.014552
"819916"	211.097574	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-2H"	-2.014552
"79539"	847.412124	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M-H"	-1.007276
"519952"	1271.621824	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M-H"	-1.007276
"896296"	423.202424	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-H"	-1.007276
"47275"	864.438671	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M-2H+NH4"	16.019271
"492309"	1288.648371	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M-2H+NH4"	16.019271
"870110"	440.228971	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-2H+NH4"	16.019271
"31478"	869.394066	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M-2H+Na"	20.974666
"473198"	1293.603766	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M-2H+Na"	20.974666
"857562"	445.184366	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-2H+Na"	20.974666
"1626001"	445.184366	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Na-2H"	20.974666
"99251"	441.190763	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M-H+Cl"	33.962126
"542093"	653.295613	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M-H+Cl"	33.962126
"935244"	229.085913	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-H+Cl"	33.962126
"269790"	883.388802	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+Cl"	34.969402
"663669"	1307.598502	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+Cl"	34.969402
"1273762"	459.179102	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Cl"	34.969402
"20449"	885.368006	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M-2H+K"	36.948606
"459283"	1309.577706	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M-2H+K"	36.948606
"835990"	461.158306	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-2H+K"	36.948606
"1558750"	461.158306	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+K-2H"	36.948606
"943469"	469.207894	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-H+HCOOH"	44.998194
"363024"	893.417601	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+HCOOH-H"	44.998201
"347637"	907.433251	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+Hac-H"	59.013851
"1495012"	483.223551	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Hac-H"	59.013851
"962918"	491.189851	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-H+NaCOOH"	66.980151
"116565"	459.179102	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+2Cl"	69.938804
"551023"	671.283952	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+2Cl"	69.938804
"1022372"	247.074252	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2Cl"	69.938804
"1241374"	503.128585	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Br"	78.918885
"1306711"	505.184572	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Cl+HCOOH"	80.974872
"1327733"	527.166529	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Cl+NaCOOH"	102.956829
"920980"	537.195286	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M-H+CF3COOH"	112.985586
"1298783"	573.171964	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Cl+CF3COOH"	148.962264
"1374756"	389.197024	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H-2H2O"	-35.012676
"1387879"	407.207	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H-H2O"	-17.0027
"294493"	849.426676	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+H"	1.007276
"679987"	1273.636376	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+H"	1.007276
"1354881"	425.216976	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H"	1.007276
"128865"	425.216976	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+2H"	2.014552
"574258"	637.321826	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+2H"	2.014552
"1045245"	213.112126	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2H"	2.014552
"212051"	283.813742666667	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+3H"	3.021828
"657081"	425.216976	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+3H"	3.021828
"1172655"	142.410509333333	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+3H"	3.021828
"434104"	866.453223	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+NH4"	18.033823
"797286"	1290.662923	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+NH4"	18.033823
"1691433"	442.243523	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+NH4"	18.033823
"335334"	433.7302495	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+H+NH4"	19.041099
"728852"	645.8350995	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+H+NH4"	19.041099
"1481577"	221.6253995	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H+NH4"	19.041099
"399162"	871.408618	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+Na"	22.989218
"761255"	1295.618318	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+Na"	22.989218
"1606071"	447.198918	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Na"	22.989218
"320480"	436.207947	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+H+Na"	23.996494
"712905"	648.312797	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+H+Na"	23.996494
"1466725"	224.103097	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H+Na"	23.996494
"1062158"	149.737823333333	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2H+Na"	25.00377
"1264929"	457.243186	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+CH3OH+H"	33.033486
"391768"	887.382558	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+K"	38.963158
"751064"	1311.592258	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+K"	38.963158
"1549834"	463.172858	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+K"	38.963158
"301548"	444.194917	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+H+K"	39.970434
"698343"	656.299767	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+H+K"	39.970434
"1452167"	232.090067	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H+K"	39.970434
"244052"	890.453226	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+ACN+H"	42.033826
"1221136"	466.243526	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+ACN+H"	42.033826
"1203925"	233.625401	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+ACN+2H"	43.041102
"194607"	893.39056	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+2Na-H"	44.97116
"631613"	1317.60026	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+2Na-H"	44.97116
"1141678"	469.18086	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2Na-H"	44.97116
"183874"	447.198918	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+2Na"	45.978436
"619425"	659.303768	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+2Na"	45.978436
"1125483"	235.094068	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2Na"	45.978436
"1403175"	157.065137333333	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H+2Na"	46.985712
"1434197"	471.222446	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H+HCOOH"	47.012746
"226810"	452.23194	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+3H2O+2H"	56.04448
"1513051"	485.27449	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+IsoProp+H"	61.06479
"412737"	455.185888	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+Na+K"	61.952376
"773736"	667.290738	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+Na+K"	61.952376
"1674076"	243.081038	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Na+K"	61.952376
"262056"	912.435168	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+ACN+Na"	64.015768
"1235496"	488.225468	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+ACN+Na"	64.015768
"1714541"	488.248993	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+NH4+HCOOH"	64.039293
"1182451"	164.392451333333	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+3Na"	68.967654
"1652346"	493.204388	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Na+HCOOH"	68.994688
"169048"	925.33844	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+2K-H"	76.91904
"600956"	1349.54814	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+2K-H"	76.91904
"1092031"	501.12874	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2K-H"	76.91904
"149942"	463.172858	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"2M+2K"	77.926316
"587313"	675.277708	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"3M+2K"	77.926316
"1071098"	251.068008	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2K"	77.926316
"1103948"	503.143292	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2K+H"	78.933592
"1340333"	503.230907	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+DMSO+H"	79.021207
"1011051"	507.270076	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2ACN+H"	83.060376
"1532456"	508.263708	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+IsoProp+Na+H"	84.054008
"993437"	254.138676	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+2ACN+2H"	84.067652
"1591221"	509.178328	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+K+HCOOH"	84.968628
"1417976"	539.209838	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+H+CF3COOH"	115.000138
"1152639"	274.651951	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+3ACN+2H"	125.094202
"1704376"	556.236385	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+NH4+CF3COOH"	132.026685
"1638932"	561.19178	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+Na+CF3COOH"	136.98208
"1575680"	577.16572	"C17032"	"Nigakilactone H"	"C22H32O8"	"424.2097"	"M+K+CF3COOH"	152.95602
"804954"	406.1992	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M"	0
"981767"	387.18081	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-H2O-H"	-19.01839
"72195"	269.792190666667	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M-3H"	-3.021828
"508476"	405.191924	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M-3H"	-3.021828
"887371"	134.392457333333	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-3H"	-3.021828
"10321"	405.191924	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M-2H"	-2.014552
"442225"	608.291524	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M-2H"	-2.014552
"820027"	202.092324	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-2H"	-2.014552
"80377"	811.391124	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M-H"	-1.007276
"520304"	1217.590324	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M-H"	-1.007276
"902854"	405.191924	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-H"	-1.007276
"50672"	828.417671	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M-2H+NH4"	16.019271
"488287"	1234.616871	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M-2H+NH4"	16.019271
"864869"	422.218471	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-2H+NH4"	16.019271
"34842"	833.373066	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M-2H+Na"	20.974666
"475497"	1239.572266	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M-2H+Na"	20.974666
"855486"	427.173866	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-2H+Na"	20.974666
"1626112"	427.173866	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Na-2H"	20.974666
"100455"	423.180263	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M-H+Cl"	33.962126
"543663"	626.279863	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M-H+Cl"	33.962126
"936448"	220.080663	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-H+Cl"	33.962126
"268441"	847.367802	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+Cl"	34.969402
"660491"	1253.567002	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+Cl"	34.969402
"1281285"	441.168602	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Cl"	34.969402
"22385"	849.347006	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M-2H+K"	36.948606
"463767"	1255.546206	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M-2H+K"	36.948606
"834279"	443.147806	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-2H+K"	36.948606
"1555941"	443.147806	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+K-2H"	36.948606
"945284"	451.197394	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-H+HCOOH"	44.998194
"363864"	857.396601	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+HCOOH-H"	44.998201
"350663"	871.412251	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+Hac-H"	59.013851
"1498038"	465.213051	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Hac-H"	59.013851
"962299"	473.179351	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-H+NaCOOH"	66.980151
"113759"	441.168602	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+2Cl"	69.938804
"552227"	644.268202	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+2Cl"	69.938804
"1021995"	238.069002	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2Cl"	69.938804
"1241352"	485.118085	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Br"	78.918885
"1304218"	487.174072	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Cl+HCOOH"	80.974872
"1324927"	509.156029	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Cl+NaCOOH"	102.956829
"915621"	519.184786	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M-H+CF3COOH"	112.985586
"1293788"	555.161464	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Cl+CF3COOH"	148.962264
"1374864"	371.186524	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H-2H2O"	-35.012676
"1391269"	389.1965	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H-H2O"	-17.0027
"286944"	813.405676	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+H"	1.007276
"677908"	1219.604876	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+H"	1.007276
"1354261"	407.206476	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H"	1.007276
"133714"	407.206476	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+2H"	2.014552
"573275"	610.306076	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+2H"	2.014552
"1045354"	204.106876	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2H"	2.014552
"215443"	271.806742666667	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+3H"	3.021828
"651723"	407.206476	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+3H"	3.021828
"1174226"	136.407009333333	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+3H"	3.021828
"433124"	830.432223	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+NH4"	18.033823
"798495"	1236.631423	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+NH4"	18.033823
"1689356"	424.233023	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+NH4"	18.033823
"337636"	415.7197495	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+H+NH4"	19.041099
"726776"	618.8193495	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+H+NH4"	19.041099
"1478773"	212.6201495	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H+NH4"	19.041099
"397085"	835.387618	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+Na"	22.989218
"758085"	1241.586818	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+Na"	22.989218
"1604725"	429.188418	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Na"	22.989218
"318409"	418.197447	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+H+Na"	23.996494
"711923"	621.297047	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+H+Na"	23.996494
"1466836"	215.097847	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H+Na"	23.996494
"1060082"	143.734323333333	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2H+Na"	25.00377
"1268322"	439.232686	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+CH3OH+H"	33.033486
"386895"	851.361558	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+K"	38.963158
"746800"	1257.560758	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+K"	38.963158
"1549947"	445.162358	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+K"	38.963158
"302750"	426.184417	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+H+K"	39.970434
"696265"	629.284017	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+H+K"	39.970434
"1453374"	223.084817	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H+K"	39.970434
"244162"	854.432226	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+ACN+H"	42.033826
"1214683"	448.233026	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+ACN+H"	42.033826
"1205127"	224.620151	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+ACN+2H"	43.041102
"190344"	857.36956	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+2Na-H"	44.97116
"633184"	1263.56876	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+2Na-H"	44.97116
"1139965"	451.17036	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2Na-H"	44.97116
"183255"	429.188418	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+2Na"	45.978436
"617348"	632.288018	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+2Na"	45.978436
"1121947"	226.088818	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2Na"	45.978436
"1405473"	151.061637333333	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H+2Na"	46.985712
"1438682"	453.211946	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H+HCOOH"	47.012746
"225096"	434.22144	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+3H2O+2H"	56.04448
"1513162"	467.26399	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+IsoProp+H"	61.06479
"412847"	437.175388	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+Na+K"	61.952376
"773113"	640.274988	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+Na+K"	61.952376
"1669089"	234.075788	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Na+K"	61.952376
"257795"	876.414168	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+ACN+Na"	64.015768
"1232325"	470.214968	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+ACN+Na"	64.015768
"1715016"	470.238493	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+NH4+HCOOH"	64.039293
"1186936"	158.388951333333	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+3Na"	68.967654
"1655736"	475.193888	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Na+HCOOH"	68.994688
"158587"	889.31744	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+2K-H"	76.91904
"602159"	1295.51664	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+2K-H"	76.91904
"1089953"	483.11824	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2K-H"	76.91904
"151144"	445.162358	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"2M+2K"	77.926316
"590707"	648.261958	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"3M+2K"	77.926316
"1076315"	242.062758	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2K"	77.926316
"1109523"	485.132792	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2K+H"	78.933592
"1341534"	485.220407	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+DMSO+H"	79.021207
"1015532"	489.259576	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2ACN+H"	83.060376
"1527094"	490.253208	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+IsoProp+Na+H"	84.054008
"994638"	245.133426	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+2ACN+2H"	84.067652
"1596797"	491.167828	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+K+HCOOH"	84.968628
"1419175"	521.199338	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+H+CF3COOH"	115.000138
"1159306"	265.646701	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+3ACN+2H"	125.094202
"1704485"	538.225885	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+NH4+CF3COOH"	132.026685
"1639042"	543.18128	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+Na+CF3COOH"	136.98208
"1574694"	559.15522	"C17033"	"Nigakilactone K"	"C22H30O7"	"406.1992"	"M+K+CF3COOH"	152.95602
"810532"	406.1992	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M"	0
"984063"	387.18081	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-H2O-H"	-19.01839
"67933"	269.792190666667	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M-3H"	-3.021828
"507493"	405.191924	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M-3H"	-3.021828
"885295"	134.392457333333	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-3H"	-3.021828
"8245"	405.191924	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M-2H"	-2.014552
"442699"	608.291524	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M-2H"	-2.014552
"820137"	202.092324	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-2H"	-2.014552
"80123"	811.391124	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M-H"	-1.007276
"519563"	1217.590324	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M-H"	-1.007276
"905151"	405.191924	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-H"	-1.007276
"51875"	828.417671	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M-2H+NH4"	16.019271
"488151"	1234.616871	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M-2H+NH4"	16.019271
"864737"	422.218471	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-2H+NH4"	16.019271
"33859"	833.373066	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M-2H+Na"	20.974666
"473539"	1239.572266	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M-2H+Na"	20.974666
"852315"	427.173866	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-2H+Na"	20.974666
"1626222"	427.173866	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Na-2H"	20.974666
"99472"	423.180263	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M-H+Cl"	33.962126
"540127"	626.279863	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M-H+Cl"	33.962126
"931454"	220.080663	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-H+Cl"	33.962126
"269280"	847.367802	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+Cl"	34.969402
"660480"	1253.567002	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+Cl"	34.969402
"1278115"	441.168602	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Cl"	34.969402
"22495"	849.347006	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M-2H+K"	36.948606
"460597"	1255.546206	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M-2H+K"	36.948606
"834753"	443.147806	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-2H+K"	36.948606
"1555651"	443.147806	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+K-2H"	36.948606
"943935"	451.197394	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-H+HCOOH"	44.998194
"362146"	857.396601	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+HCOOH-H"	44.998201
"347857"	871.412251	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+Hac-H"	59.013851
"1495595"	465.213051	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Hac-H"	59.013851
"962409"	473.179351	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-H+NaCOOH"	66.980151
"110166"	441.168602	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+2Cl"	69.938804
"550997"	644.268202	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+2Cl"	69.938804
"1022227"	238.069002	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2Cl"	69.938804
"1241800"	485.118085	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Br"	78.918885
"1304493"	487.174072	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Cl+HCOOH"	80.974872
"1320003"	509.156029	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Cl+NaCOOH"	102.956829
"915731"	519.184786	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M-H+CF3COOH"	112.985586
"1292440"	555.161464	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Cl+CF3COOH"	148.962264
"1369142"	371.186524	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H-2H2O"	-35.012676
"1388099"	389.1965	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H-H2O"	-17.0027
"286689"	813.405676	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+H"	1.007276
"677289"	1219.604876	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+H"	1.007276
"1356561"	407.206476	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H"	1.007276
"131638"	407.206476	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+2H"	2.014552
"577760"	610.306076	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+2H"	2.014552
"1047652"	204.106876	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2H"	2.014552
"214460"	271.806742666667	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+3H"	3.021828
"654020"	407.206476	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+3H"	3.021828
"1174333"	136.407009333333	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+3H"	3.021828
"434325"	830.432223	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+NH4"	18.033823
"794228"	1236.631423	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+NH4"	18.033823
"1689464"	424.233023	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+NH4"	18.033823
"338840"	415.7197495	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+H+NH4"	19.041099
"727251"	618.8193495	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+H+NH4"	19.041099
"1479976"	212.6201495	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H+NH4"	19.041099
"396102"	835.387618	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+Na"	22.989218
"759289"	1241.586818	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+Na"	22.989218
"1603738"	429.188418	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Na"	22.989218
"317788"	418.197447	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+H+Na"	23.996494
"710940"	621.297047	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+H+Na"	23.996494
"1468040"	215.097847	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H+Na"	23.996494
"1060192"	143.734323333333	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2H+Na"	25.00377
"1267339"	439.232686	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+CH3OH+H"	33.033486
"391746"	851.361558	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+K"	38.963158
"746910"	1257.560758	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+K"	38.963158
"1550787"	445.162358	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+K"	38.963158
"302130"	426.184417	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+H+K"	39.970434
"693460"	629.284017	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+H+K"	39.970434
"1455671"	223.084817	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H+K"	39.970434
"242086"	854.432226	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+ACN+H"	42.033826
"1219166"	448.233026	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+ACN+H"	42.033826
"1206330"	224.620151	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+ACN+2H"	43.041102
"195921"	857.36956	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+2Na-H"	44.97116
"636575"	1263.56876	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+2Na-H"	44.97116
"1140804"	451.17036	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2Na-H"	44.97116
"180085"	429.188418	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+2Na"	45.978436
"618552"	632.288018	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+2Na"	45.978436
"1118779"	226.088818	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2Na"	45.978436
"1408863"	151.061637333333	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H+2Na"	46.985712
"1439887"	453.211946	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H+HCOOH"	47.012746
"225207"	434.22144	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+3H2O+2H"	56.04448
"1514366"	467.26399	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+IsoProp+H"	61.06479
"413321"	437.175388	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+Na+K"	61.952376
"773223"	640.274988	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+Na+K"	61.952376
"1669199"	234.075788	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Na+K"	61.952376
"256083"	876.414168	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+ACN+Na"	64.015768
"1231342"	470.214968	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+ACN+Na"	64.015768
"1716585"	470.238493	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+NH4+HCOOH"	64.039293
"1187046"	158.388951333333	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+3Na"	68.967654
"1655846"	475.193888	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Na+HCOOH"	68.994688
"159061"	889.31744	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+2K-H"	76.91904
"602269"	1295.51664	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+2K-H"	76.91904
"1087875"	483.11824	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2K-H"	76.91904
"145786"	445.162358	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"2M+2K"	77.926316
"584252"	648.261958	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"3M+2K"	77.926316
"1071317"	242.062758	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2K"	77.926316
"1104165"	485.132792	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2K+H"	78.933592
"1340549"	485.220407	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+DMSO+H"	79.021207
"1012364"	489.259576	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2ACN+H"	83.060376
"1527205"	490.253208	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+IsoProp+Na+H"	84.054008
"993655"	245.133426	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+2ACN+2H"	84.067652
"1589616"	491.167828	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+K+HCOOH"	84.968628
"1418191"	521.199338	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+H+CF3COOH"	115.000138
"1158323"	265.646701	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+3ACN+2H"	125.094202
"1702406"	538.225885	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+NH4+CF3COOH"	132.026685
"1639153"	543.18128	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+Na+CF3COOH"	136.98208
"1573711"	559.15522	"C17034"	"Nigakilactone L"	"C22H30O7"	"406.1992"	"M+K+CF3COOH"	152.95602
"813924"	394.1992	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M"	0
"984178"	375.18081	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-H2O-H"	-19.01839
"66953"	261.792190666667	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M-3H"	-3.021828
"507607"	393.191924	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M-3H"	-3.021828
"885409"	130.392457333333	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-3H"	-3.021828
"7262"	393.191924	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M-2H"	-2.014552
"443541"	590.291524	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M-2H"	-2.014552
"821342"	196.092324	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-2H"	-2.014552
"78750"	787.391124	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M-H"	-1.007276
"527462"	1181.590324	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M-H"	-1.007276
"904170"	393.191924	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-H"	-1.007276
"54172"	804.417671	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M-2H+NH4"	16.019271
"488507"	1198.616871	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M-2H+NH4"	16.019271
"868254"	410.218471	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-2H+NH4"	16.019271
"35062"	809.373066	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M-2H+Na"	20.974666
"474622"	1203.572266	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M-2H+Na"	20.974666
"856798"	415.173866	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-2H+Na"	20.974666
"1632894"	415.173866	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Na-2H"	20.974666
"102863"	411.180263	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M-H+Cl"	33.962126
"547891"	608.279863	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M-H+Cl"	33.962126
"931563"	214.080663	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-H+Cl"	33.962126
"269754"	823.367802	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+Cl"	34.969402
"666915"	1217.567002	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+Cl"	34.969402
"1278225"	429.168602	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Cl"	34.969402
"18594"	825.347006	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M-2H+K"	36.948606
"462529"	1219.546206	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M-2H+K"	36.948606
"834862"	431.147806	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-2H+K"	36.948606
"1555912"	431.147806	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+K-2H"	36.948606
"946963"	439.197394	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-H+HCOOH"	44.998194
"362625"	833.396601	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+HCOOH-H"	44.998201
"348331"	847.412251	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+Hac-H"	59.013851
"1494611"	453.213051	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Hac-H"	59.013851
"962154"	461.179351	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-H+NaCOOH"	66.980151
"115800"	429.168602	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+2Cl"	69.938804
"550498"	626.268202	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+2Cl"	69.938804
"1022337"	232.069002	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2Cl"	69.938804
"1242278"	473.118085	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Br"	78.918885
"1304442"	475.174072	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Cl+HCOOH"	80.974872
"1320520"	497.156029	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Cl+NaCOOH"	102.956829
"919123"	507.184786	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M-H+CF3COOH"	112.985586
"1294739"	543.161464	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Cl+CF3COOH"	148.962264
"1373993"	359.186524	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H-2H2O"	-35.012676
"1392948"	377.1965	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H-H2O"	-17.0027
"288988"	789.405676	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+H"	1.007276
"678131"	1183.604876	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+H"	1.007276
"1363234"	395.206476	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H"	1.007276
"138310"	395.206476	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+2H"	2.014552
"577872"	592.306076	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+2H"	2.014552
"1050317"	198.106876	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2H"	2.014552
"215665"	263.806742666667	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+3H"	3.021828
"656320"	395.206476	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+3H"	3.021828
"1174444"	132.407009333333	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+3H"	3.021828
"435530"	806.432223	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+NH4"	18.033823
"793246"	1200.631423	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+NH4"	18.033823
"1687392"	412.233023	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+NH4"	18.033823
"332024"	403.7197495	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+H+NH4"	19.041099
"728093"	600.8193495	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+H+NH4"	19.041099
"1481183"	206.6201495	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H+NH4"	19.041099
"398770"	811.387618	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+Na"	22.989218
"758672"	1205.586818	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+Na"	22.989218
"1608592"	417.188418	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Na"	22.989218
"324097"	406.197447	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+H+Na"	23.996494
"718706"	603.297047	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+H+Na"	23.996494
"1472161"	209.097847	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H+Na"	23.996494
"1063586"	139.734323333333	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2H+Na"	25.00377
"1269273"	427.232686	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+CH3OH+H"	33.033486
"391127"	827.361558	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+K"	38.963158
"751030"	1221.560758	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+K"	38.963158
"1546886"	433.162358	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+K"	38.963158
"304063"	414.184417	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+H+K"	39.970434
"699766"	611.284017	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+H+K"	39.970434
"1446298"	217.084817	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H+K"	39.970434
"242197"	830.432226	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+ACN+H"	42.033826
"1217090"	436.233026	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+ACN+H"	42.033826
"1199879"	218.620151	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+ACN+2H"	43.041102
"198219"	833.36956	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+2Na-H"	44.97116
"637778"	1227.56876	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+2Na-H"	44.97116
"1136907"	439.17036	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2Na-H"	44.97116
"176919"	417.188418	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+2Na"	45.978436
"616479"	614.288018	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+2Na"	45.978436
"1119011"	220.088818	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2Na"	45.978436
"1402414"	147.061637333333	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H+2Na"	46.985712
"1433437"	441.211946	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H+HCOOH"	47.012746
"226413"	422.22144	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+3H2O+2H"	56.04448
"1513383"	455.26399	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+IsoProp+H"	61.06479
"411976"	425.175388	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+Na+K"	61.952376
"777344"	622.274988	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+Na+K"	61.952376
"1671496"	228.075788	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Na+K"	61.952376
"259110"	852.414168	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+ACN+Na"	64.015768
"1232912"	458.214968	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+ACN+Na"	64.015768
"1718523"	458.238493	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+NH4+HCOOH"	64.039293
"1184970"	154.388951333333	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+3Na"	68.967654
"1659237"	463.193888	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Na+HCOOH"	68.994688
"168286"	865.31744	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+2K-H"	76.91904
"603473"	1259.51664	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+2K-H"	76.91904
"1091267"	471.11824	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2K-H"	76.91904
"149178"	433.162358	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"2M+2K"	77.926316
"586549"	630.261958	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"3M+2K"	77.926316
"1072156"	236.062758	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2K"	77.926316
"1111929"	473.132792	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2K+H"	78.933592
"1343942"	473.220407	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+DMSO+H"	79.021207
"1014659"	477.259576	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2ACN+H"	83.060376
"1537158"	478.253208	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+IsoProp+Na+H"	84.054008
"999233"	239.133426	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+2ACN+2H"	84.067652
"1598113"	479.167828	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+K+HCOOH"	84.968628
"1422676"	509.199338	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+H+CF3COOH"	115.000138
"1152964"	259.646701	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+3ACN+2H"	125.094202
"1703611"	526.225885	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+NH4+CF3COOH"	132.026685
"1641453"	531.18128	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+Na+CF3COOH"	136.98208
"1574917"	547.15522	"C17035"	"Nigakilactone M"	"C21H30O7"	"394.1992"	"M+K+CF3COOH"	152.95602
"812939"	394.1992	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M"	0
"978816"	375.18081	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-H2O-H"	-19.01839
"67060"	261.792190666667	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M-3H"	-3.021828
"510994"	393.191924	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M-3H"	-3.021828
"886608"	130.392457333333	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-3H"	-3.021828
"156"	393.191924	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M-2H"	-2.014552
"440081"	590.291524	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M-2H"	-2.014552
"818173"	196.092324	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-2H"	-2.014552
"82539"	787.391124	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M-H"	-1.007276
"527572"	1181.590324	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M-H"	-1.007276
"904280"	393.191924	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-H"	-1.007276
"55376"	804.417671	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M-2H+NH4"	16.019271
"490562"	1198.616871	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M-2H+NH4"	16.019271
"869458"	410.218471	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-2H+NH4"	16.019271
"35172"	809.373066	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M-2H+Na"	20.974666
"472545"	1203.572266	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M-2H+Na"	20.974666
"851441"	415.173866	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-2H+Na"	20.974666
"1629725"	415.173866	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Na-2H"	20.974666
"99691"	411.180263	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M-H+Cl"	33.962126
"541438"	608.279863	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M-H+Cl"	33.962126
"930579"	214.080663	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-H+Cl"	33.962126
"269864"	823.367802	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+Cl"	34.969402
"664839"	1217.567002	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+Cl"	34.969402
"1277242"	429.168602	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Cl"	34.969402
"18704"	825.347006	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M-2H+K"	36.948606
"461546"	1219.546206	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M-2H+K"	36.948606
"832841"	431.147806	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-2H+K"	36.948606
"1555723"	431.147806	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+K-2H"	36.948606
"946345"	439.197394	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-H+HCOOH"	44.998194
"362371"	833.396601	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+HCOOH-H"	44.998201
"346617"	847.412251	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+Hac-H"	59.013851
"1494352"	453.213051	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Hac-H"	59.013851
"959464"	461.179351	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-H+NaCOOH"	66.980151
"110803"	429.168602	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+2Cl"	69.938804
"550282"	626.268202	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+2Cl"	69.938804
"1021833"	232.069002	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2Cl"	69.938804
"1242630"	473.118085	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Br"	78.918885
"1304349"	475.174072	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Cl+HCOOH"	80.974872
"1320032"	497.156029	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Cl+NaCOOH"	102.956829
"919233"	507.184786	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M-H+CF3COOH"	112.985586
"1294849"	543.161464	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Cl+CF3COOH"	148.962264
"1374103"	359.186524	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H-2H2O"	-35.012676
"1393786"	377.1965	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H-H2O"	-17.0027
"292379"	789.405676	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+H"	1.007276
"676784"	1183.604876	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+H"	1.007276
"1363344"	395.206476	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H"	1.007276
"138421"	395.206476	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+2H"	2.014552
"578710"	592.306076	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+2H"	2.014552
"1051520"	198.106876	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2H"	2.014552
"215778"	263.806742666667	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+3H"	3.021828
"658501"	395.206476	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+3H"	3.021828
"1175651"	132.407009333333	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+3H"	3.021828
"432361"	806.432223	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+NH4"	18.033823
"795542"	1200.631423	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+NH4"	18.033823
"1686771"	412.233023	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+NH4"	18.033823
"332134"	403.7197495	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+H+NH4"	19.041099
"728932"	600.8193495	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+H+NH4"	19.041099
"1481657"	206.6201495	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H+NH4"	19.041099
"398881"	811.387618	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+Na"	22.989218
"758054"	1205.586818	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+Na"	22.989218
"1607609"	417.188418	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Na"	22.989218
"318740"	406.197447	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+H+Na"	23.996494
"715535"	603.297047	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+H+Na"	23.996494
"1471542"	209.097847	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H+Na"	23.996494
"1063694"	139.734323333333	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2H+Na"	25.00377
"1265373"	427.232686	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+CH3OH+H"	33.033486
"388321"	827.361558	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+K"	38.963158
"746038"	1221.560758	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+K"	38.963158
"1544079"	433.162358	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+K"	38.963158
"300894"	414.184417	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+H+K"	39.970434
"697689"	611.284017	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+H+K"	39.970434
"1446530"	217.084817	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H+K"	39.970434
"237928"	830.432226	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+ACN+H"	42.033826
"1213919"	436.233026	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+ACN+H"	42.033826
"1199988"	218.620151	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+ACN+2H"	43.041102
"195046"	833.36956	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+2Na-H"	44.97116
"634606"	1227.56876	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+2Na-H"	44.97116
"1133737"	439.17036	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2Na-H"	44.97116
"174838"	417.188418	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+2Na"	45.978436
"613138"	614.288018	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+2Na"	45.978436
"1116811"	220.088818	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2Na"	45.978436
"1399241"	147.061637333333	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H+2Na"	46.985712
"1431358"	441.211946	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H+HCOOH"	47.012746
"220281"	422.22144	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+3H2O+2H"	56.04448
"1508499"	455.26399	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+IsoProp+H"	61.06479
"408799"	425.175388	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+Na+K"	61.952376
"770405"	622.274988	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+Na+K"	61.952376
"1676345"	228.075788	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Na+K"	61.952376
"258123"	852.414168	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+ACN+Na"	64.015768
"1230834"	458.214968	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+ACN+Na"	64.015768
"1716446"	458.238493	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+NH4+HCOOH"	64.039293
"1181800"	154.388951333333	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+3Na"	68.967654
"1657160"	463.193888	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Na+HCOOH"	68.994688
"159283"	865.31744	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+2K-H"	76.91904
"598478"	1259.51664	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+2K-H"	76.91904
"1088096"	471.11824	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2K-H"	76.91904
"147101"	433.162358	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"2M+2K"	77.926316
"584473"	630.261958	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"3M+2K"	77.926316
"1072267"	236.062758	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2K"	77.926316
"1110946"	473.132792	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2K+H"	78.933592
"1346239"	473.220407	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+DMSO+H"	79.021207
"1016957"	477.259576	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2ACN+H"	83.060376
"1533988"	478.253208	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+IsoProp+Na+H"	84.054008
"993874"	239.133426	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+2ACN+2H"	84.067652
"1597127"	479.167828	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+K+HCOOH"	84.968628
"1422786"	509.199338	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+H+CF3COOH"	115.000138
"1151981"	259.646701	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+3ACN+2H"	125.094202
"1703721"	526.225885	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+NH4+CF3COOH"	132.026685
"1643750"	531.18128	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+Na+CF3COOH"	136.98208
"1575027"	547.15522	"C17036"	"Nigakilactone N"	"C21H30O7"	"394.1992"	"M+K+CF3COOH"	152.95602
"807581"	722.4241	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M"	0
"981113"	703.40571	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-H2O-H"	-19.01839
"67169"	480.608790666667	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M-3H"	-3.021828
"511104"	721.416824	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M-3H"	-3.021828
"891092"	239.800757333333	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-3H"	-3.021828
"4197"	721.416824	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M-2H"	-2.014552
"442669"	1082.628874	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M-2H"	-2.014552
"817472"	360.204774	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-2H"	-2.014552
"82649"	1443.840924	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M-H"	-1.007276
"522210"	2166.265024	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M-H"	-1.007276
"904390"	721.416824	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-H"	-1.007276
"54393"	1460.867471	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M-2H+NH4"	16.019271
"490672"	2183.291571	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M-2H+NH4"	16.019271
"870661"	738.443371	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-2H+NH4"	16.019271
"37469"	1465.822866	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M-2H+Na"	20.974666
"473748"	2188.246966	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M-2H+Na"	20.974666
"852644"	743.398766	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-2H+Na"	20.974666
"1630928"	743.398766	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Na-2H"	20.974666
"99801"	739.405163	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M-H+Cl"	33.962126
"541548"	1100.617213	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M-H+Cl"	33.962126
"931782"	378.193113	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-H+Cl"	33.962126
"268881"	1479.817602	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+Cl"	34.969402
"660447"	2202.241702	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+Cl"	34.969402
"1273083"	757.393502	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Cl"	34.969402
"17719"	1481.796806	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M-2H+K"	36.948606
"455716"	2204.220906	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M-2H+K"	36.948606
"832899"	759.372706	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-2H+K"	36.948606
"1556379"	759.372706	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+K-2H"	36.948606
"946090"	767.422294	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-H+HCOOH"	44.998194
"363572"	1489.846401	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+HCOOH-H"	44.998201
"347454"	1503.862051	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+Hac-H"	59.013851
"1494825"	781.437951	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Hac-H"	59.013851
"958971"	789.404251	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-H+NaCOOH"	66.980151
"111276"	757.393502	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+2Cl"	69.938804
"551937"	1118.605552	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+2Cl"	69.938804
"1021435"	396.181452	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2Cl"	69.938804
"1242011"	801.342985	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Br"	78.918885
"1306408"	803.398972	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Cl+HCOOH"	80.974872
"1321714"	825.380929	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Cl+NaCOOH"	102.956829
"912168"	835.409686	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M-H+CF3COOH"	112.985586
"1289724"	871.386364	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Cl+CF3COOH"	148.962264
"1367285"	687.411424	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H-2H2O"	-35.012676
"1388428"	705.4214	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H-H2O"	-17.0027
"284100"	1445.855476	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+H"	1.007276
"676530"	2168.279576	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+H"	1.007276
"1362361"	723.431376	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H"	1.007276
"138531"	723.431376	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+2H"	2.014552
"579184"	1084.643426	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+2H"	2.014552
"1050537"	362.219326	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2H"	2.014552
"219743"	482.623342666667	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+3H"	3.021828
"658367"	723.431376	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+3H"	3.021828
"1177463"	241.815309333333	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+3H"	3.021828
"435751"	1462.882023	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+NH4"	18.033823
"797840"	2185.306123	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+NH4"	18.033823
"1686519"	740.457923	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+NH4"	18.033823
"333338"	731.9446495	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+H+NH4"	19.041099
"726490"	1093.1566995	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+H+NH4"	19.041099
"1480309"	370.7325995	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H+NH4"	19.041099
"398991"	1467.837418	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+Na"	22.989218
"758892"	2190.261518	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+Na"	22.989218
"1608813"	745.413318	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Na"	22.989218
"322130"	734.422347	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+H+Na"	23.996494
"715645"	1095.634397	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+H+Na"	23.996494
"1471652"	373.210297	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H+Na"	23.996494
"1064169"	249.142623333333	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2H+Na"	25.00377
"1266575"	755.457586	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+CH3OH+H"	33.033486
"385151"	1483.811358	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+K"	38.963158
"747241"	2206.235458	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+K"	38.963158
"1546012"	761.387258	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+K"	38.963158
"300273"	742.409317	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+H+K"	39.970434
"697799"	1103.621367	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+H+K"	39.970434
"1450528"	381.197267	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H+K"	39.970434
"240225"	1486.882026	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+ACN+H"	42.033826
"1211840"	764.457926	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+ACN+H"	42.033826
"1200098"	382.732601	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+ACN+2H"	43.041102
"197343"	1489.81936	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+2Na-H"	44.97116
"635810"	2212.24346	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+2Na-H"	44.97116
"1134939"	767.39526	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2Na-H"	44.97116
"173487"	745.413318	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+2Na"	45.978436
"613128"	1106.625368	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+2Na"	45.978436
"1116311"	384.201268	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2Na"	45.978436
"1398661"	256.469937333333	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H+2Na"	46.985712
"1430048"	769.436846	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H+HCOOH"	47.012746
"220192"	750.44634	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+3H2O+2H"	56.04448
"1508741"	783.48889	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+IsoProp+H"	61.06479
"408562"	753.400288	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+Na+K"	61.952376
"770391"	1114.612338	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+Na+K"	61.952376
"1677183"	392.188238	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Na+K"	61.952376
"258235"	1508.863968	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+ACN+Na"	64.015768
"1234224"	786.439868	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+ACN+Na"	64.015768
"1716556"	786.463393	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+NH4+HCOOH"	64.039293
"1181910"	263.797251333333	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+3Na"	68.967654
"1653990"	791.418788	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Na+HCOOH"	68.994688
"159757"	1521.76724	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+2K-H"	76.91904
"599682"	2244.19134	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+2K-H"	76.91904
"1088206"	799.34314	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2K-H"	76.91904
"148304"	761.387258	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"2M+2K"	77.926316
"582273"	1122.599308	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"3M+2K"	77.926316
"1072377"	400.175208	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2K"	77.926316
"1111055"	801.357692	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2K+H"	78.933592
"1345986"	801.445307	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+DMSO+H"	79.021207
"1017432"	805.484476	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2ACN+H"	83.060376
"1535921"	806.478108	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+IsoProp+Na+H"	84.054008
"993984"	403.245876	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+2ACN+2H"	84.067652
"1599424"	807.392728	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+K+HCOOH"	84.968628
"1422896"	837.424238	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+H+CF3COOH"	115.000138
"1152091"	423.759151	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+3ACN+2H"	125.094202
"1703831"	854.450785	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+NH4+CF3COOH"	132.026685
"1643860"	859.40618	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+Na+CF3COOH"	136.98208
"1575137"	875.38012	"C17038"	"Ophiopogonin B"	"C39H62O12"	"722.4241"	"M+K+CF3COOH"	152.95602
"804411"	284.0685	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M"	0
"977943"	265.05011	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"64120"	188.371724	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"509027"	283.061224	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"889015"	93.682224	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"2121"	283.061224	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"441685"	425.095474	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"817294"	141.026974	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"79842"	567.129724	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"521227"	851.198224	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"900125"	283.061224	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"51219"	584.156271	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"494061"	868.224771	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"869675"	300.087771	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"36486"	589.111666	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"474951"	873.180166	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"851661"	305.043166	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1631038"	305.043166	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"99911"	301.049563	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"540565"	443.083813	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"931892"	159.015313	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"269355"	603.106402	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"660678"	887.174902	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1273801"	319.037902	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"17100"	605.085606	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"456646"	889.154106	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"833360"	321.017106	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1556366"	321.017106	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"943519"	329.066694	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"362954"	613.135201	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"347197"	627.150851	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1494573"	343.082351	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"959566"	351.048651	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"113213"	319.037902	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"550825"	461.072152	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1021932"	177.003652	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1241999"	362.987385	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1304689"	365.043372	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1322918"	387.025329	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"913974"	397.054086	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1289957"	433.030764	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1367759"	249.055824	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1382890"	267.0658	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"283397"	569.144276	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"679920"	853.212776	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1362471"	285.075776	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"141181"	285.075776	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"579294"	427.110026	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1052351"	143.041526	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"218186"	190.386276	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"657746"	285.075776	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1176600"	95.696776	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"436590"	586.170823	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"797948"	870.239323	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1686994"	302.102323	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"335270"	293.5890495	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"727330"	435.6232995	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1482241"	151.5547995	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"400924"	591.126218	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"757546"	875.194718	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1608924"	307.057718	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"322240"	296.066747	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"719037"	438.100997	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1472855"	154.032497	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1066101"	103.02409	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1265593"	317.101986	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"385261"	607.100158	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"746258"	891.168658	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1545029"	323.031658	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"300020"	304.053717	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"697909"	446.087967	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1452826"	162.019467	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"242524"	610.170826	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1214138"	326.102326	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1197293"	163.554801	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"193081"	613.10816	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"633734"	897.17666	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1136144"	329.03966	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"176154"	307.057718	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"614619"	449.091968	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1122499"	165.023468	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1406023"	110.351404	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1440693"	331.081246	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"226742"	312.09074	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1518083"	345.13329	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"418861"	315.044688	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"775483"	457.078938	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1670733"	173.010438	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"256160"	632.152768	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1233242"	348.084268	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1716666"	348.107793	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1183113"	117.678718	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1654100"	353.063188	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"158774"	645.05604	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"599791"	929.12454	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1088316"	360.98754	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"148414"	323.031658	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"581898"	465.065908	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1069328"	180.997408	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1108978"	363.002092	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1335882"	363.089707	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1014989"	367.128876	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1528740"	368.122508	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"991907"	184.068076	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1600627"	369.037128	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1419726"	399.068638	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1155482"	204.581351	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1706127"	416.095185	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1643970"	421.05058	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1575247"	437.02452	"C17039"	"Obtusifolin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"804521"	344.0896	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M"	0
"978053"	325.07121	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"65202"	228.385790666667	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"511324"	343.082324	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"889125"	113.689257333333	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"2231"	343.082324	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"442889"	515.127124	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"818254"	171.037524	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"79585"	687.171924	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"521337"	1031.261524	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"900235"	343.082324	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"55703"	704.198471	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"489795"	1048.288071	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"870879"	360.108871	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"36593"	709.153866	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"478341"	1053.243466	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"851771"	365.064266	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1631148"	365.064266	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"100021"	361.070663	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"543957"	533.115463	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"930909"	189.025863	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"269101"	723.148602	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"662980"	1067.238202	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1273922"	379.059002	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"16348"	725.127806	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"456441"	1069.217406	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"833836"	381.038206	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1558790"	381.038206	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"943755"	389.087794	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"363788"	733.177401	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"348766"	747.193051	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1496870"	403.103451	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"961496"	411.069751	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"114416"	379.059002	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"554705"	551.103802	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1023016"	207.014202	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1244540"	423.008485	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1311000"	425.064472	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1323026"	447.046429	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"915545"	457.075186	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1291160"	493.051864	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1370413"	309.076924	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1385363"	327.0869	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"285413"	689.186476	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"679666"	1033.276076	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1361488"	345.096876	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"140939"	345.096876	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"579040"	517.141676	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1052730"	173.052076	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"219025"	230.400342666667	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"657855"	345.096876	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1176711"	115.703809333333	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"435971"	706.213023	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"798059"	1050.302623	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1686741"	362.123423	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"334287"	353.6101495	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"727440"	525.6549495	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1480529"	181.5653495	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"396659"	711.168418	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"762029"	1055.258018	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1609033"	367.078818	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"321255"	356.087847	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"716960"	528.132647	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1472965"	184.043047	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1062931"	123.031123333333	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1265703"	377.123086	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"385371"	727.142358	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"746368"	1071.231958	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1543316"	383.052758	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"300494"	364.074817	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"698019"	536.119617	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1455122"	192.030017	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"243728"	730.213026	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1212063"	386.123426	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1196675"	193.565351	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"195379"	733.15036	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"637125"	1077.23996	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1141720"	389.06076	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"180636"	367.078818	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"615823"	539.123618	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1125888"	195.034018	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1410507"	130.358437333333	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1443355"	391.102346	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"234871"	372.11184	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1522568"	405.15439	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"423959"	375.065788	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"785155"	547.110588	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1673028"	203.020988	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"264652"	752.194968	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1237363"	408.105368	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1722238"	408.128893	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1183218"	137.685751333333	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1653112"	413.084288	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"159976"	765.09824	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"601723"	1109.18784	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1089520"	421.00864	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"143056"	383.052758	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"582733"	555.097558	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1069310"	211.007958	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1103620"	423.023192	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1337566"	423.110807	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1012912"	427.149976	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1532131"	428.143608	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"998578"	214.078626	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1591989"	429.058228	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1416555"	459.089738	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1152311"	234.591901	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1705144"	476.116285	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1644080"	481.07168	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1573169"	497.04562	"C17040"	"Obtusin"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"804631"	764.4347	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M"	0
"978162"	745.41631	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-H2O-H"	-19.01839
"64219"	508.615857333333	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M-3H"	-3.021828
"511433"	763.427424	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M-3H"	-3.021828
"888142"	253.804290666667	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-3H"	-3.021828
"3432"	763.427424	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M-2H"	-2.014552
"441906"	1145.644774	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M-2H"	-2.014552
"819339"	381.210074	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-2H"	-2.014552
"79332"	1527.862124	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M-H"	-1.007276
"521447"	2292.296824	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M-H"	-1.007276
"900345"	763.427424	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-H"	-1.007276
"54720"	1544.888671	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M-2H+NH4"	16.019271
"492092"	2309.323371	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M-2H+NH4"	16.019271
"870989"	780.453971	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-2H+NH4"	16.019271
"35610"	1549.844066	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M-2H+Na"	20.974666
"477358"	2314.278766	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M-2H+Na"	20.974666
"854068"	785.409366	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-2H+Na"	20.974666
"1626883"	785.409366	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Na-2H"	20.974666
"100132"	781.415763	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M-H+Cl"	33.962126
"546983"	1163.633113	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M-H+Cl"	33.962126
"929561"	399.198413	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-H+Cl"	33.962126
"271034"	1563.838802	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+Cl"	34.969402
"663820"	2328.273502	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+Cl"	34.969402
"1273101"	799.404102	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Cl"	34.969402
"15813"	1565.818006	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M-2H+K"	36.948606
"457974"	2330.252706	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M-2H+K"	36.948606
"833587"	801.383306	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-2H+K"	36.948606
"1559995"	801.383306	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+K-2H"	36.948606
"943865"	809.432894	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-H+HCOOH"	44.998194
"362077"	1573.867601	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+HCOOH-H"	44.998201
"346690"	1587.883251	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+Hac-H"	59.013851
"1494795"	823.448551	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Hac-H"	59.013851
"962338"	831.414851	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-H+NaCOOH"	66.980151
"114162"	799.404102	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+2Cl"	69.938804
"555545"	1181.621452	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+2Cl"	69.938804
"1024344"	417.186752	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2Cl"	69.938804
"1248662"	843.353585	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Br"	78.918885
"1309288"	845.409572	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Cl+HCOOH"	80.974872
"1324597"	867.391529	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Cl+NaCOOH"	102.956829
"916385"	877.420286	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M-H+CF3COOH"	112.985586
"1293093"	913.396964	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Cl+CF3COOH"	148.962264
"1374535"	729.422024	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H-2H2O"	-35.012676
"1389849"	747.432	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H-H2O"	-17.0027
"288805"	1529.876676	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+H"	1.007276
"683056"	2294.311376	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+H"	1.007276
"1362692"	765.441976	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H"	1.007276
"139590"	765.441976	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+2H"	2.014552
"581098"	1147.659326	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+2H"	2.014552
"1052495"	383.224626	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2H"	2.014552
"218406"	510.630409333333	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+3H"	3.021828
"658696"	765.441976	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+3H"	3.021828
"1175000"	255.818842666667	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+3H"	3.021828
"436083"	1546.903223	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+NH4"	18.033823
"794888"	2311.337923	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+NH4"	18.033823
"1687216"	782.468523	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+NH4"	18.033823
"335855"	773.9552495	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+H+NH4"	19.041099
"726819"	1156.1725995	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+H+NH4"	19.041099
"1479180"	391.7378995	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H+NH4"	19.041099
"395674"	1551.858618	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+Na"	22.989218
"758128"	2316.293318	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+Na"	22.989218
"1608049"	787.423918	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Na"	22.989218
"323553"	776.432947	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+H+Na"	23.996494
"714883"	1158.650297	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+H+Na"	23.996494
"1473075"	394.215597	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H+Na"	23.996494
"1059763"	263.146156666667	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2H+Na"	25.00377
"1264720"	797.468186	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+CH3OH+H"	33.033486
"385481"	1567.832558	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+K"	38.963158
"748665"	2332.267258	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+K"	38.963158
"1544156"	803.397858	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+K"	38.963158
"301333"	784.419917	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+H+K"	39.970434
"695940"	1166.637267	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+H+K"	39.970434
"1449765"	402.202567	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H+K"	39.970434
"246023"	1570.903226	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+ACN+H"	42.033826
"1212174"	806.468526	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+ACN+H"	42.033826
"1195327"	403.737901	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+ACN+2H"	43.041102
"193303"	1573.84056	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+2Na-H"	44.97116
"638330"	2338.27526	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+2Na-H"	44.97116
"1140736"	809.40586	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2Na-H"	44.97116
"178559"	787.423918	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+2Na"	45.978436
"618120"	1169.641268	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+2Na"	45.978436
"1129281"	405.206568	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2Na"	45.978436
"1411348"	270.473470666667	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H+2Na"	46.985712
"1445207"	811.447446	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H+HCOOH"	47.012746
"233524"	792.45694	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+3H2O+2H"	56.04448
"1523693"	825.49949	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+IsoProp+H"	61.06479
"423456"	795.410888	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+Na+K"	61.952376
"785557"	1177.628238	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+Na+K"	61.952376
"1678605"	413.193538	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Na+K"	61.952376
"265127"	1592.885168	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+ACN+Na"	64.015768
"1238931"	828.450468	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+ACN+Na"	64.015768
"1725994"	828.473993	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+NH4+HCOOH"	64.039293
"1183328"	277.800784666667	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+3Na"	68.967654
"1657596"	833.429388	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Na+HCOOH"	68.994688
"162273"	1605.78844	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+2K-H"	76.91904
"605112"	2370.22314	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+2K-H"	76.91904
"1088532"	841.35374	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2K-H"	76.91904
"149724"	803.397858	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"2M+2K"	77.926316
"591472"	1185.615208	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"3M+2K"	77.926316
"1074891"	421.180508	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2K"	77.926316
"1110287"	843.368292	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2K+H"	78.933592
"1337316"	843.455907	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+DMSO+H"	79.021207
"1008640"	847.495076	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2ACN+H"	83.060376
"1531147"	848.488708	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+IsoProp+Na+H"	84.054008
"990787"	424.251176	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+2ACN+2H"	84.067652
"1587845"	849.403328	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+K+HCOOH"	84.968628
"1414508"	879.434838	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+H+CF3COOH"	115.000138
"1150234"	444.764451	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+3ACN+2H"	125.094202
"1700878"	896.461385	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+NH4+CF3COOH"	132.026685
"1644190"	901.41678	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+Na+CF3COOH"	136.98208
"1573279"	917.39072	"C17041"	"Ophiopogonin A"	"C41H64O13"	"764.4347"	"M+K+CF3COOH"	152.95602
"814585"	854.4664	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M"	0
"987025"	835.44801	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-H2O-H"	-19.01839
"69799"	568.636990666667	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M-3H"	-3.021828
"507173"	853.459124	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M-3H"	-3.021828
"884975"	283.814857333333	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-3H"	-3.021828
"5735"	853.459124	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M-2H"	-2.014552
"446390"	1280.692324	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M-2H"	-2.014552
"817626"	426.225924	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-2H"	-2.014552
"79439"	1707.925524	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M-H"	-1.007276
"533593"	2562.391924	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M-H"	-1.007276
"909205"	853.459124	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-H"	-1.007276
"51550"	1724.952071	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M-2H+NH4"	16.019271
"492208"	2579.418471	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M-2H+NH4"	16.019271
"870010"	870.485671	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-2H+NH4"	16.019271
"46295"	1729.907466	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M-2H+Na"	20.974666
"485126"	2584.373866	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M-2H+Na"	20.974666
"859647"	875.441066	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-2H+Na"	20.974666
"1629181"	875.441066	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Na-2H"	20.974666
"99148"	871.447463	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M-H+Cl"	33.962126
"535546"	1298.680663	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M-H+Cl"	33.962126
"932224"	444.214263	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-H+Cl"	33.962126
"268958"	1743.902202	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+Cl"	34.969402
"674138"	2598.368602	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+Cl"	34.969402
"1284355"	889.435802	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Cl"	34.969402
"24726"	1745.881406	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M-2H+K"	36.948606
"464284"	2600.347806	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M-2H+K"	36.948606
"836980"	891.415006	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-2H+K"	36.948606
"1559376"	891.415006	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+K-2H"	36.948606
"950178"	899.464594	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-H+HCOOH"	44.998194
"365111"	1753.931001	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+HCOOH-H"	44.998201
"350087"	1767.946651	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+Hac-H"	59.013851
"1494542"	913.480251	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Hac-H"	59.013851
"960627"	921.446551	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-H+NaCOOH"	66.980151
"112815"	889.435802	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+2Cl"	69.938804
"553469"	1316.669002	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+2Cl"	69.938804
"1022998"	462.202602	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2Cl"	69.938804
"1244398"	933.385285	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Br"	78.918885
"1306116"	935.441272	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Cl+HCOOH"	80.974872
"1323248"	957.423229	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Cl+NaCOOH"	102.956829
"912850"	967.451986	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M-H+CF3COOH"	112.985586
"1290657"	1003.428664	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Cl+CF3COOH"	148.962264
"1369912"	819.453724	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H-2H2O"	-35.012676
"1386680"	837.4637	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H-H2O"	-17.0027
"289649"	1709.940076	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+H"	1.007276
"687547"	2564.406476	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+H"	1.007276
"1360617"	855.473676	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H"	1.007276
"136786"	855.473676	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+2H"	2.014552
"581198"	1282.706876	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+2H"	2.014552
"1045148"	428.240476	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2H"	2.014552
"216329"	570.651542666667	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+3H"	3.021828
"656983"	855.473676	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+3H"	3.021828
"1177660"	285.829409333333	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+3H"	3.021828
"435101"	1726.966623	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+NH4"	18.033823
"788805"	2581.433023	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+NH4"	18.033823
"1685136"	872.500223	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+NH4"	18.033823
"335239"	863.9869495	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+H+NH4"	19.041099
"727660"	1291.2201495	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+H+NH4"	19.041099
"1483667"	436.7537495	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H+NH4"	19.041099
"400161"	1731.922018	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+Na"	22.989218
"762249"	2586.388418	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+Na"	22.989218
"1611440"	877.455618	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Na"	22.989218
"322572"	866.464647	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+H+Na"	23.996494
"718273"	1293.697847	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+H+Na"	23.996494
"1473187"	439.231447	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H+Na"	23.996494
"1064249"	293.156723333333	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2H+Na"	25.00377
"1267021"	887.499886	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+CH3OH+H"	33.033486
"385593"	1747.895958	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+K"	38.963158
"747681"	2602.362358	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+K"	38.963158
"1552652"	893.429558	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+K"	38.963158
"302541"	874.451617	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+H+K"	39.970434
"696054"	1301.684817	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+H+K"	39.970434
"1452064"	447.218417	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H+K"	39.970434
"243949"	1750.966626	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+ACN+H"	42.033826
"1216657"	896.500226	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+ACN+H"	42.033826
"1201631"	448.753751	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+ACN+2H"	43.041102
"196691"	1753.90396	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+2Na-H"	44.97116
"637347"	2608.37036	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+2Na-H"	44.97116
"1139755"	899.43756	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2Na-H"	44.97116
"181949"	877.455618	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+2Na"	45.978436
"622239"	1304.688818	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+2Na"	45.978436
"1130119"	450.222418	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2Na"	45.978436
"1408176"	300.484037333333	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H+2Na"	46.985712
"1444669"	901.479146	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H+HCOOH"	47.012746
"233634"	882.48864	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+3H2O+2H"	56.04448
"1518416"	915.53119	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+IsoProp+H"	61.06479
"418102"	885.442588	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+Na+K"	61.952376
"781284"	1312.675788	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+Na+K"	61.952376
"1676529"	458.209388	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Na+K"	61.952376
"259772"	1772.948568	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+ACN+Na"	64.015768
"1238312"	918.482168	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+ACN+Na"	64.015768
"1715172"	918.505693	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+NH4+HCOOH"	64.039293
"1183441"	307.811351333333	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+3Na"	68.967654
"1657710"	923.461088	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Na+HCOOH"	68.994688
"160197"	1785.85184	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+2K-H"	76.91904
"601943"	2640.31824	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+2K-H"	76.91904
"1087552"	931.38544	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2K-H"	76.91904
"145462"	893.429558	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"2M+2K"	77.926316
"585023"	1320.662758	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"3M+2K"	77.926316
"1070990"	466.196358	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2K"	77.926316
"1103839"	933.399992	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2K+H"	78.933592
"1337671"	933.487607	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+DMSO+H"	79.021207
"1008751"	937.526776	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2ACN+H"	83.060376
"1525056"	938.520408	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+IsoProp+Na+H"	84.054008
"991264"	469.267026	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+2ACN+2H"	84.067652
"1588075"	939.435028	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+K+HCOOH"	84.968628
"1414583"	969.466538	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+H+CF3COOH"	115.000138
"1150344"	489.780301	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+3ACN+2H"	125.094202
"1705364"	986.493085	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+NH4+CF3COOH"	132.026685
"1644300"	991.44848	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+Na+CF3COOH"	136.98208
"1576669"	1007.42242	"C17042"	"Ophiopogonin D"	"C44H70O16"	"854.4664"	"M+K+CF3COOH"	152.95602
"811412"	896.477	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M"	0
"978383"	877.45861	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-H2O-H"	-19.01839
"64438"	596.644057333333	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M-3H"	-3.021828
"508373"	895.469724	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M-3H"	-3.021828
"885082"	297.818390666667	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-3H"	-3.021828
"2925"	895.469724	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M-2H"	-2.014552
"439979"	1343.708224	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M-2H"	-2.014552
"817103"	447.231224	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-2H"	-2.014552
"78581"	1791.946724	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M-H"	-1.007276
"520574"	2688.423724	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M-H"	-1.007276
"900565"	895.469724	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-H"	-1.007276
"50565"	1808.973271	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M-2H+NH4"	16.019271
"487812"	2705.450271	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M-2H+NH4"	16.019271
"864252"	912.496271	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-2H+NH4"	16.019271
"32548"	1813.928666	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M-2H+Na"	20.974666
"481956"	2710.405666	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M-2H+Na"	20.974666
"851009"	917.451666	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-2H+Na"	20.974666
"1620543"	917.451666	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Na-2H"	20.974666
"97072"	913.458063	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M-H+Cl"	33.962126
"534517"	1361.696563	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M-H+Cl"	33.962126
"932334"	465.219563	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-H+Cl"	33.962126
"271255"	1827.923402	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+Cl"	34.969402
"672062"	2724.400402	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+Cl"	34.969402
"1282280"	931.446402	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Cl"	34.969402
"23743"	1829.902606	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M-2H+K"	36.948606
"463301"	2726.379606	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M-2H+K"	36.948606
"837090"	933.425606	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-2H+K"	36.948606
"1559121"	933.425606	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+K-2H"	36.948606
"947007"	941.475194	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-H+HCOOH"	44.998194
"363395"	1837.952201	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+HCOOH-H"	44.998201
"348373"	1851.967851	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+Hac-H"	59.013851
"1494653"	955.490851	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Hac-H"	59.013851
"961101"	963.457151	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-H+NaCOOH"	66.980151
"114384"	931.446402	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+2Cl"	69.938804
"554673"	1379.684902	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+2Cl"	69.938804
"1026024"	483.207902	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2Cl"	69.938804
"1243415"	975.395885	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Br"	78.918885
"1305010"	977.451872	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Cl+HCOOH"	80.974872
"1323358"	999.433829	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Cl+NaCOOH"	102.956829
"912837"	1009.462586	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M-H+CF3COOH"	112.985586
"1291131"	1045.439264	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Cl+CF3COOH"	148.962264
"1369293"	861.464324	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H-2H2O"	-35.012676
"1388975"	879.4743	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H-H2O"	-17.0027
"285382"	1793.961276	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+H"	1.007276
"689845"	2690.438276	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+H"	1.007276
"1366192"	897.484276	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H"	1.007276
"134708"	897.484276	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+2H"	2.014552
"577551"	1345.722776	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+2H"	2.014552
"1049631"	449.245776	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2H"	2.014552
"218625"	598.658609333333	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+3H"	3.021828
"657821"	897.484276	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+3H"	3.021828
"1174854"	299.832942666667	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+3H"	3.021828
"430836"	1810.987823	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+NH4"	18.033823
"794021"	2707.464823	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+NH4"	18.033823
"1685977"	914.510823	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+NH4"	18.033823
"330324"	905.9975495	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+H+NH4"	19.041099
"726677"	1354.2360495	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+H+NH4"	19.041099
"1483777"	457.7590495	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H+NH4"	19.041099
"398085"	1815.943218	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+Na"	22.989218
"762358"	2712.420218	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+Na"	22.989218
"1609365"	919.466218	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Na"	22.989218
"320495"	908.475247	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+H+Na"	23.996494
"716196"	1356.713747	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+H+Na"	23.996494
"1468923"	460.236747	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H+Na"	23.996494
"1063262"	307.160256666667	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2H+Na"	25.00377
"1268224"	929.510486	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+CH3OH+H"	33.033486
"385702"	1831.917158	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+K"	38.963158
"744511"	2728.394158	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+K"	38.963158
"1552033"	935.440158	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+K"	38.963158
"303745"	916.462217	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+H+K"	39.970434
"695072"	1364.700717	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+H+K"	39.970434
"1449987"	468.223717	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H+K"	39.970434
"246976"	1834.987826	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+ACN+H"	42.033826
"1216767"	938.510826	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+ACN+H"	42.033826
"1201379"	469.759051	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+ACN+2H"	43.041102
"197532"	1837.92516	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+2Na-H"	44.97116
"638187"	2734.40216	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+2Na-H"	44.97116
"1139865"	941.44816	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2Na-H"	44.97116
"180967"	919.466218	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+2Na"	45.978436
"620528"	1367.704718	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+2Na"	45.978436
"1126220"	471.227718	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2Na"	45.978436
"1408651"	314.487570666667	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H+2Na"	46.985712
"1442958"	943.489746	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H+HCOOH"	47.012746
"232652"	924.49924	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+3H2O+2H"	56.04448
"1519257"	957.54179	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+IsoProp+H"	61.06479
"419672"	927.453188	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+Na+K"	61.952376
"779939"	1375.691688	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+Na+K"	61.952376
"1674453"	479.214688	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Na+K"	61.952376
"258787"	1856.969768	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+ACN+Na"	64.015768
"1238058"	960.492768	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+ACN+Na"	64.015768
"1718198"	960.516293	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+NH4+HCOOH"	64.039293
"1183551"	321.814884666667	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+3Na"	68.967654
"1657819"	965.471688	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Na+HCOOH"	68.994688
"159943"	1869.87304	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+2K-H"	76.91904
"603148"	2766.35004	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+2K-H"	76.91904
"1088755"	973.39604	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2K-H"	76.91904
"142655"	935.440158	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"2M+2K"	77.926316
"586227"	1383.678658	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"3M+2K"	77.926316
"1076207"	487.201658	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2K"	77.926316
"1103949"	975.410592	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2K+H"	78.933592
"1337175"	975.498207	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+DMSO+H"	79.021207
"1006918"	979.537376	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2ACN+H"	83.060376
"1528083"	980.531008	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+IsoProp+Na+H"	84.054008
"991374"	490.272326	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+2ACN+2H"	84.067652
"1587574"	981.445628	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+K+HCOOH"	84.968628
"1414272"	1011.477138	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+H+CF3COOH"	115.000138
"1150454"	510.785601	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+3ACN+2H"	125.094202
"1704380"	1028.503685	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+NH4+CF3COOH"	132.026685
"1649720"	1033.45908	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+Na+CF3COOH"	136.98208
"1577874"	1049.43302	"C17043"	"Ophiopogonin C"	"C46H72O17"	"896.477"	"M+K+CF3COOH"	152.95602
"811522"	528.3815	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M"	0
"978493"	509.36311	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-H2O-H"	-19.01839
"64548"	351.247057333333	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M-3H"	-3.021828
"508483"	527.374224	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M-3H"	-3.021828
"883003"	175.119890666667	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-3H"	-3.021828
"5950"	527.374224	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M-2H"	-2.014552
"440245"	791.564974	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M-2H"	-2.014552
"818331"	263.183474	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-2H"	-2.014552
"79660"	1055.755724	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M-H"	-1.007276
"520684"	1584.137224	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M-H"	-1.007276
"899582"	527.374224	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-H"	-1.007276
"48610"	1072.782271	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M-2H+NH4"	16.019271
"488168"	1601.163771	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M-2H+NH4"	16.019271
"864989"	544.400771	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-2H+NH4"	16.019271
"32658"	1077.737666	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M-2H+Na"	20.974666
"475868"	1606.119166	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M-2H+Na"	20.974666
"849295"	549.356166	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-2H+Na"	20.974666
"1621745"	549.356166	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Na-2H"	20.974666
"98274"	545.362563	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M-H+Cl"	33.962126
"535645"	809.553313	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M-H+Cl"	33.962126
"932444"	281.171813	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-H+Cl"	33.962126
"272821"	1091.732402	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+Cl"	34.969402
"672172"	1620.113902	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+Cl"	34.969402
"1282390"	563.350902	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Cl"	34.969402
"23853"	1093.711606	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M-2H+K"	36.948606
"463412"	1622.093106	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M-2H+K"	36.948606
"839387"	565.330106	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-2H+K"	36.948606
"1561417"	565.330106	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+K-2H"	36.948606
"947117"	573.379694	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-H+HCOOH"	44.998194
"366426"	1101.761201	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+HCOOH-H"	44.998201
"353589"	1115.776851	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+Hac-H"	59.013851
"1499139"	587.395351	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Hac-H"	59.013851
"967775"	595.361651	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-H+NaCOOH"	66.980151
"120693"	563.350902	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+2Cl"	69.938804
"559523"	827.541652	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+2Cl"	69.938804
"1033791"	299.160152	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2Cl"	69.938804
"1254098"	607.300385	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Br"	78.918885
"1315452"	609.356372	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Cl+HCOOH"	80.974872
"1320916"	631.338329	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Cl+NaCOOH"	102.956829
"912704"	641.367086	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M-H+CF3COOH"	112.985586
"1291605"	677.343764	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Cl+CF3COOH"	148.962264
"1372319"	493.368824	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H-2H2O"	-35.012676
"1385806"	511.3788	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H-H2O"	-17.0027
"294243"	1057.770276	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+H"	1.007276
"690321"	1586.151776	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+H"	1.007276
"1366751"	529.388776	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H"	1.007276
"139192"	529.388776	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+2H"	2.014552
"577661"	793.579526	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+2H"	2.014552
"1050835"	265.198026	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2H"	2.014552
"218371"	353.261609333333	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+3H"	3.021828
"657203"	529.388776	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+3H"	3.021828
"1176421"	177.134442666667	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+3H"	3.021828
"434226"	1074.796823	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+NH4"	18.033823
"793037"	1603.178323	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+NH4"	18.033823
"1684627"	546.415323	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+NH4"	18.033823
"332542"	537.9020495	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+H+NH4"	19.041099
"726785"	802.0927995	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+H+NH4"	19.041099
"1482794"	273.7112995	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H+NH4"	19.041099
"400382"	1079.752218	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+Na"	22.989218
"757001"	1608.133718	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+Na"	22.989218
"1609475"	551.370718	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Na"	22.989218
"322794"	540.379747	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+H+Na"	23.996494
"716308"	804.570497	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+H+Na"	23.996494
"1469035"	276.188997	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H+Na"	23.996494
"1064467"	184.461756666667	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2H+Na"	25.00377
"1267239"	561.414986	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+CH3OH+H"	33.033486
"382535"	1095.726158	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+K"	38.963158
"744622"	1624.107658	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+K"	38.963158
"1552144"	567.344658	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+K"	38.963158
"301668"	548.366717	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+H+K"	39.970434
"692996"	812.557467	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+H+K"	39.970434
"1453378"	284.175967	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H+K"	39.970434
"245262"	1098.796826	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+ACN+H"	42.033826
"1212867"	570.415326	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+ACN+H"	42.033826
"1199666"	285.711301	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+ACN+2H"	43.041102
"193631"	1101.73416	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+2Na-H"	44.97116
"638659"	1630.11566	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+2Na-H"	44.97116
"1139974"	573.35266	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2Na-H"	44.97116
"186549"	551.370718	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+2Na"	45.978436
"626471"	815.561468	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+2Na"	45.978436
"1129980"	287.179968	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2Na"	45.978436
"1411680"	191.789070666667	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H+2Na"	46.985712
"1442704"	575.394246	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H+HCOOH"	47.012746
"234222"	556.40374	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+3H2O+2H"	56.04448
"1522648"	589.44629	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+IsoProp+H"	61.06479
"420876"	559.357688	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+Na+K"	61.952376
"781143"	823.548438	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+Na+K"	61.952376
"1680031"	295.166938	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Na+K"	61.952376
"263272"	1120.778768	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+ACN+Na"	64.015768
"1239993"	592.397268	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+ACN+Na"	64.015768
"1720494"	592.420793	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+NH4+HCOOH"	64.039293
"1186940"	199.116384666667	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+3Na"	68.967654
"1659021"	597.376188	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Na+HCOOH"	68.994688
"162602"	1133.68204	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+2K-H"	76.91904
"604351"	1662.06354	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+2K-H"	76.91904
"1094333"	605.30054	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2K-H"	76.91904
"146775"	567.344658	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"2M+2K"	77.926316
"590709"	831.535408	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"3M+2K"	77.926316
"1075224"	303.153908	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2K"	77.926316
"1108433"	607.315092	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2K+H"	78.933592
"1343723"	607.402707	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+DMSO+H"	79.021207
"1012253"	611.441876	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2ACN+H"	83.060376
"1533658"	612.435508	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+IsoProp+Na+H"	84.054008
"991602"	306.224576	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+2ACN+2H"	84.067652
"1587561"	613.350128	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+K+HCOOH"	84.968628
"1414437"	643.381638	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+H+CF3COOH"	115.000138
"1152751"	326.737851	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+3ACN+2H"	125.094202
"1704490"	660.408185	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+NH4+CF3COOH"	132.026685
"1649826"	665.36358	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+Na+CF3COOH"	136.98208
"1577984"	681.33752	"C17044"	"Pachymic acid"	"C33H52O5"	"528.3815"	"M+K+CF3COOH"	152.95602
"811632"	284.0685	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M"	0
"981883"	265.05011	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-H2O-H"	-19.01839
"69032"	188.371724	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M-3H"	-3.021828
"511873"	283.061224	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M-3H"	-3.021828
"886394"	93.682224	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-3H"	-3.021828
"4968"	283.061224	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M-2H"	-2.014552
"444530"	425.095474	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M-2H"	-2.014552
"818321"	141.026974	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-2H"	-2.014552
"81592"	567.129724	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M-H"	-1.007276
"520794"	851.198224	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M-H"	-1.007276
"899692"	283.061224	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-H"	-1.007276
"49692"	584.156271	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M-2H+NH4"	16.019271
"489251"	868.224771	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M-2H+NH4"	16.019271
"864495"	300.087771	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-2H+NH4"	16.019271
"34956"	589.111666	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M-2H+Na"	20.974666
"475978"	873.180166	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M-2H+Na"	20.974666
"850254"	305.043166	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-2H+Na"	20.974666
"1624043"	305.043166	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Na-2H"	20.974666
"103851"	301.049563	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M-H+Cl"	33.962126
"538671"	443.083813	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M-H+Cl"	33.962126
"932554"	159.015313	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-H+Cl"	33.962126
"274391"	603.106402	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+Cl"	34.969402
"671189"	887.174902	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+Cl"	34.969402
"1282499"	319.037902	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Cl"	34.969402
"25056"	605.085606	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M-2H+K"	36.948606
"463523"	889.154106	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M-2H+K"	36.948606
"839861"	321.017106	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-2H+K"	36.948606
"1561528"	321.017106	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+K-2H"	36.948606
"947227"	329.066694	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-H+HCOOH"	44.998194
"368723"	613.135201	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+HCOOH-H"	44.998201
"354792"	627.150851	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+Hac-H"	59.013851
"1500344"	343.082351	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Hac-H"	59.013851
"968979"	351.048651	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-H+NaCOOH"	66.980151
"121532"	319.037902	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+2Cl"	69.938804
"561820"	461.072152	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+2Cl"	69.938804
"1032807"	177.003652	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2Cl"	69.938804
"1254938"	362.987385	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Br"	78.918885
"1317385"	365.043372	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Cl+HCOOH"	80.974872
"1321026"	387.025329	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Cl+NaCOOH"	102.956829
"916827"	397.054086	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M-H+CF3COOH"	112.985586
"1289894"	433.030764	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Cl+CF3COOH"	148.962264
"1371701"	249.055824	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H-2H2O"	-35.012676
"1384824"	267.0658	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H-H2O"	-17.0027
"293260"	569.144276	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+H"	1.007276
"688970"	853.212776	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+H"	1.007276
"1365932"	285.075776	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H"	1.007276
"140885"	285.075776	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+2H"	2.014552
"575584"	427.110026	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+2H"	2.014552
"1048759"	143.041526	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2H"	2.014552
"217024"	190.386276	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+3H"	3.021828
"655855"	285.075776	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+3H"	3.021828
"1173252"	95.696776	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+3H"	3.021828
"434338"	586.170823	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+NH4"	18.033823
"789867"	870.239323	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+NH4"	18.033823
"1689478"	302.102323	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+NH4"	18.033823
"338485"	293.5890495	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+H+NH4"	19.041099
"729084"	435.6232995	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+H+NH4"	19.041099
"1486184"	151.5547995	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H+NH4"	19.041099
"404864"	591.126218	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+Na"	22.989218
"760391"	875.194718	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+Na"	22.989218
"1608491"	307.057718	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Na"	22.989218
"321809"	296.066747	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+H+Na"	23.996494
"714228"	438.100997	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+H+Na"	23.996494
"1473516"	154.032497	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H+Na"	23.996494
"1064576"	103.02409	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2H+Na"	25.00377
"1265163"	317.101986	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+CH3OH+H"	33.033486
"383739"	607.100158	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+K"	38.963158
"753118"	891.168658	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+K"	38.963158
"1554809"	323.031658	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+K"	38.963158
"305059"	304.053717	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+H+K"	39.970434
"699667"	446.087967	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+H+K"	39.970434
"1455675"	162.019467	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H+K"	39.970434
"248291"	610.170826	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+ACN+H"	42.033826
"1214802"	326.102326	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+ACN+H"	42.033826
"1201964"	163.554801	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+ACN+2H"	43.041102
"202491"	613.10816	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+2Na-H"	44.97116
"642052"	897.17666	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+2Na-H"	44.97116
"1142275"	329.03966	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2Na-H"	44.97116
"187022"	307.057718	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+2Na"	45.978436
"626218"	449.091968	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+2Na"	45.978436
"1129726"	165.023468	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2Na"	45.978436
"1411789"	110.351404	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H+2Na"	46.985712
"1444922"	331.081246	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H+HCOOH"	47.012746
"233602"	312.09074	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+3H2O+2H"	56.04448
"1522394"	345.13329	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+IsoProp+H"	61.06479
"423418"	315.044688	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+Na+K"	61.952376
"785022"	457.078938	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+Na+K"	61.952376
"1680142"	173.010438	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Na+K"	61.952376
"266547"	632.152768	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+ACN+Na"	64.015768
"1239623"	348.084268	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+ACN+Na"	64.015768
"1726071"	348.107793	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+NH4+HCOOH"	64.039293
"1192157"	117.678718	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+3Na"	68.967654
"1664600"	353.063188	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Na+HCOOH"	68.994688
"169274"	645.05604	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+2K-H"	76.91904
"607743"	929.12454	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+2K-H"	76.91904
"1095536"	360.98754	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2K-H"	76.91904
"146887"	323.031658	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"2M+2K"	77.926316
"584261"	465.065908	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"3M+2K"	77.926316
"1074241"	180.997408	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2K"	77.926316
"1107450"	363.002092	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2K+H"	78.933592
"1342741"	363.089707	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+DMSO+H"	79.021207
"1011270"	367.128876	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2ACN+H"	83.060376
"1529397"	368.122508	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+IsoProp+Na+H"	84.054008
"992565"	184.068076	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+2ACN+2H"	84.067652
"1588162"	369.037128	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+K+HCOOH"	84.968628
"1416009"	399.068638	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+H+CF3COOH"	115.000138
"1159422"	204.581351	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+3ACN+2H"	125.094202
"1701318"	416.095185	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+NH4+CF3COOH"	132.026685
"1649371"	421.05058	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+Na+CF3COOH"	136.98208
"1578094"	437.02452	"C17045"	"Physcion;Emodin monomethyl ether;Rheochrysidin;Parienin"	"C16H12O5"	"284.0685"	"M+K+CF3COOH"	152.95602
"811742"	342.1705	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M"	0
"984180"	323.15211	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-H2O-H"	-19.01839
"68049"	227.106390666667	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M-3H"	-3.021828
"511983"	341.163224	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M-3H"	-3.021828
"886504"	113.049557333333	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-3H"	-3.021828
"2891"	341.163224	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M-2H"	-2.014552
"440548"	512.248474	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M-2H"	-2.014552
"820257"	170.077974	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-2H"	-2.014552
"82434"	683.333724	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M-H"	-1.007276
"521998"	1025.504224	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M-H"	-1.007276
"899802"	341.163224	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-H"	-1.007276
"53083"	700.360271	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M-2H+NH4"	16.019271
"490454"	1042.530771	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M-2H+NH4"	16.019271
"866070"	358.189771	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-2H+NH4"	16.019271
"33971"	705.315666	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M-2H+Na"	20.974666
"475718"	1047.486166	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M-2H+Na"	20.974666
"854615"	363.145166	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-2H+Na"	20.974666
"1625246"	363.145166	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Na-2H"	20.974666
"101773"	359.151563	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M-H+Cl"	33.962126
"542425"	530.236813	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M-H+Cl"	33.962126
"931569"	188.066313	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-H+Cl"	33.962126
"274501"	719.310402	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+Cl"	34.969402
"675151"	1061.480902	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+Cl"	34.969402
"1286619"	377.139902	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Cl"	34.969402
"27353"	721.289606	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M-2H+K"	36.948606
"464726"	1063.460106	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M-2H+K"	36.948606
"837423"	379.119106	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-2H+K"	36.948606
"1561640"	379.119106	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+K-2H"	36.948606
"950618"	387.168694	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-H+HCOOH"	44.998194
"371749"	729.339201	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+HCOOH-H"	44.998201
"358550"	743.354851	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+Hac-H"	59.013851
"1501913"	401.184351	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Hac-H"	59.013851
"967268"	409.150651	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-H+NaCOOH"	66.980151
"123466"	377.139902	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+2Cl"	69.938804
"561933"	548.225152	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+2Cl"	69.938804
"1035713"	206.054652	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2Cl"	69.938804
"1252131"	421.089385	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Br"	78.918885
"1310571"	423.145372	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Cl+HCOOH"	80.974872
"1331347"	445.127329	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Cl+NaCOOH"	102.956829
"921311"	455.156086	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M-H+CF3COOH"	112.985586
"1289640"	491.132764	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Cl+CF3COOH"	148.962264
"1372905"	307.157824	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H-2H2O"	-35.012676
"1386028"	325.1678	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H-H2O"	-17.0027
"294463"	685.348276	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+H"	1.007276
"689083"	1027.518776	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+H"	1.007276
"1367020"	343.177776	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H"	1.007276
"137958"	343.177776	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+2H"	2.014552
"577881"	514.263026	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+2H"	2.014552
"1048505"	172.092526	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2H"	2.014552
"217501"	229.120942666667	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+3H"	3.021828
"655967"	343.177776	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+3H"	3.021828
"1172269"	115.064109333333	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+3H"	3.021828
"435177"	702.374823	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+NH4"	18.033823
"793255"	1044.545323	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+NH4"	18.033823
"1689587"	360.204323	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+NH4"	18.033823
"340054"	351.6910495	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+H+NH4"	19.041099
"733204"	522.7762995	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+H+NH4"	19.041099
"1487391"	180.6057995	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H+NH4"	19.041099
"404976"	707.330218	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+Na"	22.989218
"762687"	1049.500718	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+Na"	22.989218
"1608600"	365.159718	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Na"	22.989218
"321918"	354.168747	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+H+Na"	23.996494
"718713"	525.253997	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+H+Na"	23.996494
"1470346"	183.083497	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H+Na"	23.996494
"1064686"	122.391423333333	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2H+Na"	25.00377
"1264179"	375.203986	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+CH3OH+H"	33.033486
"389682"	723.304158	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+K"	38.963158
"749948"	1065.474658	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+K"	38.963158
"1555411"	381.133658	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+K"	38.963158
"305169"	362.155717	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+H+K"	39.970434
"700871"	533.240967	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+H+K"	39.970434
"1455785"	191.070467	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H+K"	39.970434
"247671"	726.374826	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+ACN+H"	42.033826
"1214911"	384.204326	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+ACN+H"	42.033826
"1205354"	192.605801	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+ACN+2H"	43.041102
"199319"	729.31216	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+2Na-H"	44.97116
"643499"	1071.48266	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+2Na-H"	44.97116
"1142384"	387.14166	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2Na-H"	44.97116
"186404"	365.159718	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+2Na"	45.978436
"628035"	536.244968	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+2Na"	45.978436
"1129715"	194.074468	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2Na"	45.978436
"1412387"	129.718737333333	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H+2Na"	46.985712
"1444626"	389.183246	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H+HCOOH"	47.012746
"234807"	370.19274	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+3H2O+2H"	56.04448
"1524008"	403.23529	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+IsoProp+H"	61.06479
"422678"	373.146688	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+Na+K"	61.952376
"783186"	544.231938	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+Na+K"	61.952376
"1679886"	202.061438	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Na+K"	61.952376
"266659"	748.356768	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+ACN+Na"	64.015768
"1240217"	406.186268	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+ACN+Na"	64.015768
"1727763"	406.209793	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+NH4+HCOOH"	64.039293
"1193607"	137.046051333333	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+3Na"	68.967654
"1664714"	411.165188	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Na+HCOOH"	68.994688
"168290"	761.26004	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+2K-H"	76.91904
"608947"	1103.43054	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+2K-H"	76.91904
"1096740"	419.08954	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2K-H"	76.91904
"152464"	381.133658	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"2M+2K"	77.926316
"588746"	552.218908	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"3M+2K"	77.926316
"1078727"	210.048408	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2K"	77.926316
"1107561"	421.104092	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2K+H"	78.933592
"1345038"	421.191707	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+DMSO+H"	79.021207
"1014660"	425.230876	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2ACN+H"	83.060376
"1532787"	426.224508	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+IsoProp+Na+H"	84.054008
"1000328"	213.119076	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+2ACN+2H"	84.067652
"1597018"	427.139128	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+K+HCOOH"	84.968628
"1417211"	457.170638	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+H+CF3COOH"	115.000138
"1152971"	233.632351	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+3ACN+2H"	125.094202
"1699241"	474.197185	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+NH4+CF3COOH"	132.026685
"1649115"	479.15258	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+Na+CF3COOH"	136.98208
"1578204"	495.12652	"C17046"	"Phellodendrine"	"C20H24NO4"	"342.1705"	"M+K+CF3COOH"	152.95602
"811852"	300.0998	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M"	0
"978823"	281.08141	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"68159"	199.059257333333	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"508813"	299.092524	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"886614"	99.0259906666667	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"1908"	299.092524	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"441469"	449.142424	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"819268"	149.042624	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"82544"	599.192324	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"524295"	899.292124	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"903192"	299.092524	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"55380"	616.218871	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"490564"	916.318671	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"868367"	316.119071	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"34081"	621.174266	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"476921"	921.274066	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"852539"	321.074466	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1624626"	321.074466	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"101884"	317.080863	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"544723"	467.130763	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"932408"	167.030963	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"274611"	635.169002	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"673961"	935.268802	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1286729"	335.069202	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"27463"	637.148206	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"464836"	937.248006	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"838262"	337.048406	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1562843"	337.048406	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"948541"	345.097994	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"372223"	645.197801	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"359754"	659.213451	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1501657"	359.113651	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"969565"	367.079951	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"115921"	335.069202	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"553296"	485.119102	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1027560"	185.019302	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1253335"	379.018685	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1313961"	381.074672	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1327083"	403.056629	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"921421"	413.085386	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1290840"	449.062064	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1369002"	265.087124	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1383950"	283.0971	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"290198"	601.206876	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"689197"	901.306676	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1366152"	301.107076	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"139161"	301.107076	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"579693"	451.156976	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1050075"	151.057176	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"215790"	201.073809333333	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"657534"	301.107076	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1173473"	101.040542666667	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"435652"	618.233423	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"792636"	918.333223	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1686414"	318.133623	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"339069"	309.6203495	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"732586"	459.6702495	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1485312"	159.5704495	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"402897"	623.188818	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"759516"	923.288618	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1607616"	323.089018	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"320933"	312.098047	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"713356"	462.147947	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1467177"	162.048147	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1062609"	108.367856666667	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1262103"	333.133286	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"383959"	639.162758	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"749328"	939.262558	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1553936"	339.062958	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"307466"	320.085017	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"700981"	470.134917	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1455895"	170.035117	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"249605"	642.233426	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1219394"	342.133626	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1207652"	171.570451	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"200888"	645.17076	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"642272"	945.27056	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1146023"	345.07096	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"185785"	323.089018	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"627050"	473.138918	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1129461"	173.039118	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1412984"	115.695170666667	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1444007"	347.112546	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"235039"	328.12204	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1522252"	361.16459	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"422908"	331.075988	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"782567"	481.125888	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1681130"	181.026088	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"266406"	664.215368	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1241057"	364.115568	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1726905"	364.139093	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1192744"	123.022484666667	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1665068"	369.094488	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"169494"	677.11864	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"610881"	977.21844	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1093569"	377.01884	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"152575"	339.062958	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"588856"	489.112858	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1076651"	189.013058	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1108764"	379.033392	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1344056"	379.121007	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1014770"	383.160176	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1533989"	384.153808	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"1001533"	192.083726	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1598221"	385.068428	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1416228"	415.099938	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1148339"	212.597001	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1698258"	432.126485	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1648862"	437.08188	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1578314"	453.05582	"C17047"	"Phellopterin"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"811962"	534.2101	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M"	0
"982213"	515.19171	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-H2O-H"	-19.01839
"68269"	355.132790666667	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M-3H"	-3.021828
"512203"	533.202824	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M-3H"	-3.021828
"886724"	177.062757333333	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-3H"	-3.021828
"3111"	533.202824	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M-2H"	-2.014552
"442673"	800.307874	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M-2H"	-2.014552
"820837"	266.097774	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-2H"	-2.014552
"82654"	1067.412924	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M-H"	-1.007276
"527686"	1601.623024	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M-H"	-1.007276
"906582"	533.202824	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-H"	-1.007276
"55490"	1084.439471	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M-2H+NH4"	16.019271
"489217"	1618.649571	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M-2H+NH4"	16.019271
"868477"	550.229371	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-2H+NH4"	16.019271
"36379"	1089.394866	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M-2H+Na"	20.974666
"479219"	1623.604966	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M-2H+Na"	20.974666
"855926"	555.184766	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-2H+Na"	20.974666
"1628741"	555.184766	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Na-2H"	20.974666
"101990"	551.191163	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M-H+Cl"	33.962126
"542643"	818.296213	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M-H+Cl"	33.962126
"937982"	284.086113	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-H+Cl"	33.962126
"275809"	1103.389602	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+Cl"	34.969402
"666045"	1637.599702	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+Cl"	34.969402
"1276262"	569.179502	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Cl"	34.969402
"19910"	1105.368806	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M-2H+K"	36.948606
"457289"	1639.578906	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M-2H+K"	36.948606
"838370"	571.158706	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-2H+K"	36.948606
"1562952"	571.158706	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+K-2H"	36.948606
"953022"	579.208294	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-H+HCOOH"	44.998194
"366863"	1113.418401	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+HCOOH-H"	44.998201
"354028"	1127.434051	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+Hac-H"	59.013851
"1498486"	593.223951	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Hac-H"	59.013851
"963840"	601.190251	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-H+NaCOOH"	66.980151
"113843"	569.179502	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+2Cl"	69.938804
"558870"	836.284552	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+2Cl"	69.938804
"1032043"	302.074452	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2Cl"	69.938804
"1243601"	613.128985	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Br"	78.918885
"1309695"	615.184972	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Cl+HCOOH"	80.974872
"1327191"	637.166929	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Cl+NaCOOH"	102.956829
"912417"	647.195686	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M-H+CF3COOH"	112.985586
"1289126"	683.172364	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Cl+CF3COOH"	148.962264
"1369110"	499.197424	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H-2H2O"	-35.012676
"1384787"	517.2074	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H-H2O"	-17.0027
"290309"	1069.427476	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+H"	1.007276
"687105"	1603.637576	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+H"	1.007276
"1364565"	535.217376	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H"	1.007276
"138909"	535.217376	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+2H"	2.014552
"579562"	802.322426	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+2H"	2.014552
"1050186"	268.112326	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2H"	2.014552
"216266"	357.147342666667	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+3H"	3.021828
"656918"	535.217376	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+3H"	3.021828
"1174677"	179.077309333333	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+3H"	3.021828
"429564"	1086.454023	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+NH4"	18.033823
"790924"	1620.664123	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+NH4"	18.033823
"1687618"	552.243923	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+NH4"	18.033823
"335168"	543.7306495	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+H+NH4"	19.041099
"733788"	810.8356995	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+H+NH4"	19.041099
"1484329"	276.6255995	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H+NH4"	19.041099
"400822"	1091.409418	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+Na"	22.989218
"761815"	1625.619518	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+Na"	22.989218
"1604449"	557.199318	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Na"	22.989218
"318862"	546.208347	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+H+Na"	23.996494
"713470"	813.313397	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+H+Na"	23.996494
"1469477"	279.103297	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H+Na"	23.996494
"1061629"	186.404623333333	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2H+Na"	25.00377
"1269869"	567.243586	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+CH3OH+H"	33.033486
"390630"	1107.383358	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+K"	38.963158
"753086"	1641.593458	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+K"	38.963158
"1554532"	573.173258	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+K"	38.963158
"309763"	554.195317	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+H+K"	39.970434
"703278"	821.300367	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+H+K"	39.970434
"1460871"	287.090267	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H+K"	39.970434
"246796"	1110.454026	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+ACN+H"	42.033826
"1216224"	576.243926	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+ACN+H"	42.033826
"1207398"	288.625601	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+ACN+2H"	43.041102
"199904"	1113.39136	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+2Na-H"	44.97116
"641288"	1647.60146	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+2Na-H"	44.97116
"1143334"	579.18126	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2Na-H"	44.97116
"185899"	557.199318	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+2Na"	45.978436
"622174"	824.304368	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+2Na"	45.978436
"1126774"	290.094268	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2Na"	45.978436
"1413218"	193.731937333333	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H+2Na"	46.985712
"1443144"	581.222846	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H+HCOOH"	47.012746
"235276"	562.23234	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+3H2O+2H"	56.04448
"1522969"	595.27489	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+IsoProp+H"	61.06479
"421683"	565.186288	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+Na+K"	61.952376
"783044"	832.291338	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+Na+K"	61.952376
"1680598"	298.081238	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Na+K"	61.952376
"265914"	1132.435968	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+ACN+Na"	64.015768
"1240439"	598.225868	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+ACN+Na"	64.015768
"1726771"	598.249393	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+NH4+HCOOH"	64.039293
"1193912"	201.059251333333	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+3Na"	68.967654
"1664207"	603.204788	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Na+HCOOH"	68.994688
"168879"	1145.33924	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+2K-H"	76.91904
"610263"	1679.54934	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+2K-H"	76.91904
"1094773"	611.12914	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2K-H"	76.91904
"154143"	573.173258	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"2M+2K"	77.926316
"592609"	840.278308	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"3M+2K"	77.926316
"1078217"	306.068208	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2K"	77.926316
"1114708"	613.143692	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2K+H"	78.933592
"1344166"	613.231307	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+DMSO+H"	79.021207
"1014883"	617.270476	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2ACN+H"	83.060376
"1534100"	618.264108	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+IsoProp+Na+H"	84.054008
"1001277"	309.138876	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+2ACN+2H"	84.067652
"1599426"	619.178728	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+K+HCOOH"	84.968628
"1420710"	649.210238	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+H+CF3COOH"	115.000138
"1149906"	329.652151	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+3ACN+2H"	125.094202
"1699458"	666.236785	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+NH4+CF3COOH"	132.026685
"1643867"	671.19218	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+Na+CF3COOH"	136.98208
"1572956"	687.16612	"C17048"	"Forsythin;Phillyrin"	"C27H34O11"	"534.2101"	"M+K+CF3COOH"	152.95602
"812072"	474.2254	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M"	0
"982323"	455.20701	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-H2O-H"	-19.01839
"71659"	315.142990666667	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M-3H"	-3.021828
"511220"	473.218124	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M-3H"	-3.021828
"884647"	157.067857333333	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-3H"	-3.021828
"4314"	473.218124	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M-2H"	-2.014552
"442782"	710.330824	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M-2H"	-2.014552
"821677"	236.105424	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-2H"	-2.014552
"83126"	947.443524	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M-H"	-1.007276
"520134"	1421.668924	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M-H"	-1.007276
"900126"	473.218124	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-H"	-1.007276
"52313"	964.470071	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M-2H+NH4"	16.019271
"488958"	1438.695471	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M-2H+NH4"	16.019271
"865304"	490.244671	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-2H+NH4"	16.019271
"33207"	969.425466	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M-2H+Na"	20.974666
"476048"	1443.650866	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M-2H+Na"	20.974666
"854942"	495.200066	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-2H+Na"	20.974666
"1628851"	495.200066	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Na-2H"	20.974666
"101006"	491.206463	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M-H+Cl"	33.962126
"543846"	728.319163	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M-H+Cl"	33.962126
"940891"	254.093763	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-H+Cl"	33.962126
"278107"	983.420202	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+Cl"	34.969402
"670528"	1457.645602	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+Cl"	34.969402
"1277466"	509.194802	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Cl"	34.969402
"18562"	985.399406	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M-2H+K"	36.948606
"457762"	1459.624806	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M-2H+K"	36.948606
"835200"	511.174006	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-2H+K"	36.948606
"1560876"	511.174006	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+K-2H"	36.948606
"949853"	519.223594	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-H+HCOOH"	44.998194
"365880"	993.449001	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+HCOOH-H"	44.998201
"355232"	1007.464651	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+Hac-H"	59.013851
"1499690"	533.239251	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Hac-H"	59.013851
"966139"	541.205551	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-H+NaCOOH"	66.980151
"123433"	509.194802	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+2Cl"	69.938804
"562629"	746.307502	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+2Cl"	69.938804
"1033247"	272.082102	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2Cl"	69.938804
"1246264"	553.144285	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Br"	78.918885
"1310169"	555.200272	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Cl+HCOOH"	80.974872
"1325117"	577.182229	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Cl+NaCOOH"	102.956829
"911433"	587.210986	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M-H+CF3COOH"	112.985586
"1291061"	623.187664	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Cl+CF3COOH"	148.962264
"1368858"	439.212724	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H-2H2O"	-35.012676
"1389637"	457.2227	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H-H2O"	-17.0027
"293699"	949.458076	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+H"	1.007276
"690498"	1423.683476	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+H"	1.007276
"1365398"	475.232676	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H"	1.007276
"139745"	475.232676	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+2H"	2.014552
"579304"	712.345376	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+2H"	2.014552
"1051387"	238.119976	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2H"	2.014552
"217469"	317.157542666667	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+3H"	3.021828
"658484"	475.232676	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+3H"	3.021828
"1176853"	159.082409333333	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+3H"	3.021828
"430404"	966.484623	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+NH4"	18.033823
"788844"	1440.710023	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+NH4"	18.033823
"1688458"	492.259223	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+NH4"	18.033823
"337102"	483.7459495	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+H+NH4"	19.041099
"732805"	720.8586495	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+H+NH4"	19.041099
"1485530"	246.6332495	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H+NH4"	19.041099
"400933"	971.440018	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+Na"	22.989218
"761925"	1445.665418	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+Na"	22.989218
"1608936"	497.214618	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Na"	22.989218
"321160"	486.223647	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+H+Na"	23.996494
"716860"	723.336347	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+H+Na"	23.996494
"1470680"	249.110947	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H+Na"	23.996494
"1065019"	166.409723333333	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2H+Na"	25.00377
"1269979"	507.258886	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+CH3OH+H"	33.033486
"390740"	987.413958	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+K"	38.963158
"752101"	1461.639358	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+K"	38.963158
"1550510"	513.188558	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+K"	38.963158
"310967"	494.210617	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+H+K"	39.970434
"703388"	731.323317	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+H+K"	39.970434
"1460369"	257.097917	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H+K"	39.970434
"246542"	990.484626	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+ACN+H"	42.033826
"1219614"	516.259226	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+ACN+H"	42.033826
"1206779"	258.633251	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+ACN+2H"	43.041102
"197462"	993.42196	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+2Na-H"	44.97116
"641762"	1467.64736	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+2Na-H"	44.97116
"1144176"	519.19656	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2Na-H"	44.97116
"185888"	497.214618	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+2Na"	45.978436
"624837"	734.327318	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+2Na"	45.978436
"1129804"	260.101918	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2Na"	45.978436
"1413329"	173.737037333333	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H+2Na"	46.985712
"1443618"	521.238146	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H+HCOOH"	47.012746
"234411"	502.24764	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+3H2O+2H"	56.04448
"1523084"	535.29019	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+IsoProp+H"	61.06479
"423253"	505.201588	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+Na+K"	61.952376
"783154"	742.314288	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+Na+K"	61.952376
"1680831"	268.088888	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Na+K"	61.952376
"265900"	1012.466568	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+ACN+Na"	64.015768
"1240549"	538.241168	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+ACN+Na"	64.015768
"1727371"	538.264693	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+NH4+HCOOH"	64.039293
"1193821"	181.064351333333	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+3Na"	68.967654
"1664921"	543.220088	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Na+HCOOH"	68.994688
"169353"	1025.36984	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+2K-H"	76.91904
"611100"	1499.59524	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+2K-H"	76.91904
"1095249"	551.14444	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2K-H"	76.91904
"154983"	513.188558	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"2M+2K"	77.926316
"594177"	750.301258	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"3M+2K"	77.926316
"1081972"	276.075858	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2K"	77.926316
"1112264"	553.158992	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2K+H"	78.933592
"1347921"	553.246607	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+DMSO+H"	79.021207
"1018638"	557.285776	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2ACN+H"	83.060376
"1535304"	558.279408	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+IsoProp+Na+H"	84.054008
"999567"	279.146526	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+2ACN+2H"	84.067652
"1602086"	559.194028	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+K+HCOOH"	84.968628
"1428112"	589.225538	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+H+CF3COOH"	115.000138
"1150015"	299.659801	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+3ACN+2H"	125.094202
"1699571"	606.252085	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+NH4+CF3COOH"	132.026685
"1640698"	611.20748	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+Na+CF3COOH"	136.98208
"1578534"	627.18142	"C17049"	"Picrasin A;Nigakilactone G"	"C26H34O8"	"474.2254"	"M+K+CF3COOH"	152.95602
"815462"	376.1886	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M"	0
"982434"	357.17021	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-H2O-H"	-19.01839
"68490"	249.785124	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M-3H"	-3.021828
"512424"	375.181324	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M-3H"	-3.021828
"889132"	124.388924	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-3H"	-3.021828
"5519"	375.181324	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M-2H"	-2.014552
"446174"	563.275624	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M-2H"	-2.014552
"822881"	187.087024	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-2H"	-2.014552
"85061"	751.369924	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M-H"	-1.007276
"523526"	1127.558524	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M-H"	-1.007276
"900237"	375.181324	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-H"	-1.007276
"51330"	768.396471	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M-2H+NH4"	16.019271
"490891"	1144.585071	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M-2H+NH4"	16.019271
"866143"	392.207871	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-2H+NH4"	16.019271
"33438"	773.351866	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M-2H+Na"	20.974666
"476157"	1149.540466	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M-2H+Na"	20.974666
"853959"	397.163266	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-2H+Na"	20.974666
"1631147"	397.163266	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Na-2H"	20.974666
"101116"	393.169663	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M-H+Cl"	33.962126
"541770"	581.263963	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M-H+Cl"	33.962126
"938567"	205.075363	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-H+Cl"	33.962126
"279312"	787.346602	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+Cl"	34.969402
"667358"	1163.535202	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+Cl"	34.969402
"1279763"	411.158002	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Cl"	34.969402
"19403"	789.325806	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M-2H+K"	36.948606
"458602"	1165.514406	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M-2H+K"	36.948606
"837497"	413.137206	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-2H+K"	36.948606
"1562079"	413.137206	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+K-2H"	36.948606
"949963"	421.186794	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-H+HCOOH"	44.998194
"370364"	797.375401	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+HCOOH-H"	44.998201
"354248"	811.391051	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+Hac-H"	59.013851
"1504542"	435.202451	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Hac-H"	59.013851
"965156"	443.168751	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-H+NaCOOH"	66.980151
"116250"	411.158002	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+2Cl"	69.938804
"559091"	599.252302	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+2Cl"	69.938804
"1033357"	223.063702	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2Cl"	69.938804
"1252935"	455.107485	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Br"	78.918885
"1313197"	457.163472	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Cl+HCOOH"	80.974872
"1326319"	479.145429	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Cl+NaCOOH"	102.956829
"912637"	489.174186	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M-H+CF3COOH"	112.985586
"1289346"	525.150864	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Cl+CF3COOH"	148.962264
"1370062"	341.175924	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H-2H2O"	-35.012676
"1387558"	359.1859	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H-H2O"	-17.0027
"284690"	753.384476	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+H"	1.007276
"681855"	1129.573076	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+H"	1.007276
"1363686"	377.195876	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H"	1.007276
"140462"	377.195876	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+2H"	2.014552
"578321"	565.290176	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+2H"	2.014552
"1051495"	189.101576	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2H"	2.014552
"216117"	251.799676	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+3H"	3.021828
"654586"	377.195876	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+3H"	3.021828
"1170524"	126.403476	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+3H"	3.021828
"429784"	770.411023	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+NH4"	18.033823
"791508"	1146.599623	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+NH4"	18.033823
"1686746"	394.222423	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+NH4"	18.033823
"335025"	385.7091495	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+H+NH4"	19.041099
"729268"	573.8034495	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+H+NH4"	19.041099
"1482360"	197.6148495	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H+NH4"	19.041099
"395938"	775.366418	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+Na"	22.989218
"760943"	1151.555018	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+Na"	22.989218
"1611232"	399.177818	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Na"	22.989218
"319084"	388.186847	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+H+Na"	23.996494
"712598"	576.281147	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+H+Na"	23.996494
"1469699"	200.092547	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H+Na"	23.996494
"1065129"	133.73079	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2H+Na"	25.00377
"1268994"	409.222086	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+CH3OH+H"	33.033486
"387573"	791.340358	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+K"	38.963158
"750757"	1167.528958	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+K"	38.963158
"1553538"	415.151758	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+K"	38.963158
"310713"	396.173817	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+H+K"	39.970434
"700220"	584.268117	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+H+K"	39.970434
"1458415"	208.079517	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H+K"	39.970434
"246652"	794.411026	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+ACN+H"	42.033826
"1221548"	418.222426	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+ACN+H"	42.033826
"1205430"	209.614851	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+ACN+2H"	43.041102
"196479"	797.34836	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+2Na-H"	44.97116
"640049"	1173.53696	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+2Na-H"	44.97116
"1140640"	421.15976	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2Na-H"	44.97116
"183567"	399.177818	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+2Na"	45.978436
"624581"	587.272118	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+2Na"	45.978436
"1124806"	211.083518	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2Na"	45.978436
"1411977"	141.058104	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H+2Na"	46.985712
"1443364"	423.201346	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H+HCOOH"	47.012746
"234885"	404.21084	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+3H2O+2H"	56.04448
"1522951"	437.25339	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+IsoProp+H"	61.06479
"421538"	407.164788	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+Na+K"	61.952376
"782169"	595.259088	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+Na+K"	61.952376
"1680820"	219.070488	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Na+K"	61.952376
"266496"	816.392968	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+ACN+Na"	64.015768
"1240867"	440.204368	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+ACN+Na"	64.015768
"1727727"	440.227893	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+NH4+HCOOH"	64.039293
"1193444"	148.385418	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+3Na"	68.967654
"1664303"	445.183288	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Na+HCOOH"	68.994688
"170188"	829.29624	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+2K-H"	76.91904
"609752"	1205.48484	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+2K-H"	76.91904
"1095359"	453.10764	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2K-H"	76.91904
"154727"	415.151758	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"2M+2K"	77.926316
"592830"	603.246058	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"3M+2K"	77.926316
"1081717"	227.057458	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2K"	77.926316
"1111646"	455.122192	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2K+H"	78.933592
"1346937"	455.209807	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+DMSO+H"	79.021207
"1018384"	459.248976	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2ACN+H"	83.060376
"1535414"	460.242608	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+IsoProp+Na+H"	84.054008
"1001861"	230.128126	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+2ACN+2H"	84.067652
"1599645"	461.157228	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+K+HCOOH"	84.968628
"1427491"	491.188738	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+H+CF3COOH"	115.000138
"1150126"	250.641401	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+3ACN+2H"	125.094202
"1698952"	508.215285	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+NH4+CF3COOH"	132.026685
"1644088"	513.17068	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+Na+CF3COOH"	136.98208
"1578644"	529.14462	"C17050"	"Picrasin B;Nigakilactone I"	"C21H28O6"	"376.1886"	"M+K+CF3COOH"	152.95602
"815208"	390.2042	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M"	0
"982544"	371.18581	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-H2O-H"	-19.01839
"71880"	259.128857333333	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M-3H"	-3.021828
"512534"	389.196924	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M-3H"	-3.021828
"889242"	129.060790666667	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-3H"	-3.021828
"4536"	389.196924	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M-2H"	-2.014552
"448471"	584.299024	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M-2H"	-2.014552
"822991"	194.094824	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-2H"	-2.014552
"85171"	779.401124	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M-H"	-1.007276
"523637"	1169.605324	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M-H"	-1.007276
"903627"	389.196924	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-H"	-1.007276
"51441"	796.427671	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M-2H+NH4"	16.019271
"491001"	1186.631871	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M-2H+NH4"	16.019271
"866253"	406.223471	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-2H+NH4"	16.019271
"33425"	801.383066	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M-2H+Na"	20.974666
"474078"	1191.587266	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M-2H+Na"	20.974666
"850909"	411.178866	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-2H+Na"	20.974666
"1627978"	411.178866	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Na-2H"	20.974666
"100134"	407.185263	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M-H+Cl"	33.962126
"541880"	602.287363	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M-H+Cl"	33.962126
"938677"	212.083163	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-H+Cl"	33.962126
"275048"	815.377802	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+Cl"	34.969402
"665282"	1205.582002	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+Cl"	34.969402
"1275135"	425.173602	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Cl"	34.969402
"22432"	817.357006	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M-2H+K"	36.948606
"458712"	1207.561206	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M-2H+K"	36.948606
"836514"	427.152806	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-2H+K"	36.948606
"1563282"	427.152806	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+K-2H"	36.948606
"951166"	435.202394	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-H+HCOOH"	44.998194
"370474"	825.406601	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+HCOOH-H"	44.998201
"355453"	839.422251	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+Hac-H"	59.013851
"1503193"	449.218051	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Hac-H"	59.013851
"965266"	457.184351	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-H+NaCOOH"	66.980151
"119641"	425.173602	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+2Cl"	69.938804
"558108"	620.275702	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+2Cl"	69.938804
"1033103"	230.071502	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2Cl"	69.938804
"1252681"	469.123085	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Br"	78.918885
"1312214"	471.179072	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Cl+HCOOH"	80.974872
"1324242"	493.161029	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Cl+NaCOOH"	102.956829
"913841"	503.189786	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M-H+CF3COOH"	112.985586
"1288725"	539.166464	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Cl+CF3COOH"	148.962264
"1368345"	355.191524	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H-2H2O"	-35.012676
"1385116"	373.2015	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H-H2O"	-17.0027
"285165"	781.415676	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+H"	1.007276
"679779"	1171.619876	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+H"	1.007276
"1358316"	391.211476	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H"	1.007276
"135582"	391.211476	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+2H"	2.014552
"576238"	586.313576	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+2H"	2.014552
"1048321"	196.109376	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2H"	2.014552
"217319"	261.143409333333	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+3H"	3.021828
"653602"	391.211476	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+3H"	3.021828
"1172822"	131.075342666667	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+3H"	3.021828
"434998"	798.442223	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+NH4"	18.033823
"797818"	1188.646423	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+NH4"	18.033823
"1687952"	408.238023	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+NH4"	18.033823
"337324"	399.7247495	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+H+NH4"	19.041099
"726826"	594.8268495	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+H+NH4"	19.041099
"1481375"	204.6226495	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H+NH4"	19.041099
"396779"	803.397618	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+Na"	22.989218
"756679"	1193.601818	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+Na"	22.989218
"1605872"	413.193418	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Na"	22.989218
"317002"	402.202447	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+H+Na"	23.996494
"715984"	597.304547	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+H+Na"	23.996494
"1469804"	207.100347	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H+Na"	23.996494
"1061956"	138.402656666667	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2H+Na"	25.00377
"1266916"	423.237686	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+CH3OH+H"	33.033486
"387680"	819.371558	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+K"	38.963158
"751955"	1209.575758	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+K"	38.963158
"1548541"	429.167358	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+K"	38.963158
"313005"	410.189417	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+H+K"	39.970434
"704700"	605.291517	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+H+K"	39.970434
"1455242"	215.087317	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H+K"	39.970434
"247857"	822.442226	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+ACN+H"	42.033826
"1214369"	432.238026	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+ACN+H"	42.033826
"1197159"	216.622651	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+ACN+2H"	43.041102
"195496"	825.37956	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+2Na-H"	44.97116
"633965"	1215.58376	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+2Na-H"	44.97116
"1140749"	435.17536	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2Na-H"	44.97116
"180757"	413.193418	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+2Na"	45.978436
"619224"	608.295518	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+2Na"	45.978436
"1126011"	218.091318	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2Na"	45.978436
"1409535"	145.729970666667	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H+2Na"	46.985712
"1443839"	437.216946	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H+HCOOH"	47.012746
"230253"	418.22644	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+3H2O+2H"	56.04448
"1521962"	451.26899	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+IsoProp+H"	61.06479
"419827"	421.180388	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+Na+K"	61.952376
"783377"	616.282488	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+Na+K"	61.952376
"1680931"	226.078288	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Na+K"	61.952376
"266605"	844.424168	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+ACN+Na"	64.015768
"1240896"	454.219968	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+ACN+Na"	64.015768
"1728324"	454.243493	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+NH4+HCOOH"	64.039293
"1193801"	153.057284666667	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+3Na"	68.967654
"1664170"	459.198888	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Na+HCOOH"	68.994688
"169934"	857.32744	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+2K-H"	76.91904
"608404"	1247.53164	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+2K-H"	76.91904
"1093647"	467.12324	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2K-H"	76.91904
"153743"	429.167358	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"2M+2K"	77.926316
"592939"	624.269458	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"3M+2K"	77.926316
"1080369"	234.065258	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2K"	77.926316
"1109206"	469.137792	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2K+H"	78.933592
"1345955"	469.225407	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+DMSO+H"	79.021207
"1017035"	473.264576	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2ACN+H"	83.060376
"1534431"	474.258208	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+IsoProp+Na+H"	84.054008
"999785"	237.135926	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+2ACN+2H"	84.067652
"1599755"	475.172828	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+K+HCOOH"	84.968628
"1419946"	505.204338	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+H+CF3COOH"	115.000138
"1151332"	257.649201	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+3ACN+2H"	125.094202
"1699061"	522.230885	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+NH4+CF3COOH"	132.026685
"1644198"	527.18628	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+Na+CF3COOH"	136.98208
"1578754"	543.16022	"C17051"	"Picrasin D"	"C22H30O6"	"390.2042"	"M+K+CF3COOH"	152.95602
"815682"	406.1992	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M"	0
"982654"	387.18081	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-H2O-H"	-19.01839
"68710"	269.792190666667	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M-3H"	-3.021828
"512644"	405.191924	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M-3H"	-3.021828
"892632"	134.392457333333	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-3H"	-3.021828
"6832"	405.191924	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M-2H"	-2.014552
"449674"	608.291524	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M-2H"	-2.014552
"822372"	202.092324	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-2H"	-2.014552
"86374"	811.391124	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M-H"	-1.007276
"523382"	1217.590324	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M-H"	-1.007276
"903737"	405.191924	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-H"	-1.007276
"52644"	828.417671	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M-2H+NH4"	16.019271
"492204"	1234.616871	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M-2H+NH4"	16.019271
"866729"	422.218471	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-2H+NH4"	16.019271
"34628"	833.373066	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M-2H+Na"	20.974666
"476377"	1239.572266	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M-2H+Na"	20.974666
"855272"	427.173866	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-2H+Na"	20.974666
"1631004"	427.173866	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Na-2H"	20.974666
"101337"	423.180263	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M-H+Cl"	33.962126
"541990"	626.279863	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M-H+Cl"	33.962126
"939881"	220.080663	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-H+Cl"	33.962126
"279534"	847.367802	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+Cl"	34.969402
"670859"	1253.567002	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+Cl"	34.969402
"1278890"	441.168602	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Cl"	34.969402
"22542"	849.347006	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M-2H+K"	36.948606
"463196"	1255.546206	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M-2H+K"	36.948606
"839905"	443.147806	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-2H+K"	36.948606
"1563392"	443.147806	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+K-2H"	36.948606
"952369"	451.197394	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-H+HCOOH"	44.998194
"371678"	857.396601	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+HCOOH-H"	44.998201
"356656"	871.412251	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+Hac-H"	59.013851
"1502210"	465.213051	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Hac-H"	59.013851
"970843"	473.179351	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-H+NaCOOH"	66.980151
"123762"	441.168602	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+2Cl"	69.938804
"562591"	644.268202	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+2Cl"	69.938804
"1032849"	238.069002	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2Cl"	69.938804
"1252791"	485.118085	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Br"	78.918885
"1314511"	487.174072	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Cl+HCOOH"	80.974872
"1330912"	509.156029	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Cl+NaCOOH"	102.956829
"913222"	519.184786	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M-H+CF3COOH"	112.985586
"1294306"	555.161464	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Cl+CF3COOH"	148.962264
"1367729"	371.186524	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H-2H2O"	-35.012676
"1385225"	389.1965	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H-H2O"	-17.0027
"283453"	813.405676	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+H"	1.007276
"679889"	1219.604876	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+H"	1.007276
"1356239"	407.206476	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H"	1.007276
"137878"	407.206476	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+2H"	2.014552
"580966"	610.306076	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+2H"	2.014552
"1051708"	204.106876	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2H"	2.014552
"219249"	271.806742666667	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+3H"	3.021828
"655899"	407.206476	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+3H"	3.021828
"1177551"	136.407009333333	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+3H"	3.021828
"437294"	830.432223	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+NH4"	18.033823
"799872"	1236.631423	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+NH4"	18.033823
"1693530"	424.233023	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+NH4"	18.033823
"339621"	415.7197495	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+H+NH4"	19.041099
"729854"	618.8193495	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+H+NH4"	19.041099
"1481487"	212.6201495	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H+NH4"	19.041099
"400169"	835.387618	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+Na"	22.989218
"760071"	1241.586818	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+Na"	22.989218
"1610356"	429.188418	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Na"	22.989218
"319298"	418.197447	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+H+Na"	23.996494
"713907"	621.297047	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+H+Na"	23.996494
"1471006"	215.097847	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H+Na"	23.996494
"1062066"	143.734323333333	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2H+Na"	25.00377
"1265933"	439.232686	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+CH3OH+H"	33.033486
"388881"	851.361558	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+K"	38.963158
"753647"	1257.560758	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+K"	38.963158
"1549744"	445.162358	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+K"	38.963158
"313115"	426.184417	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+H+K"	39.970434
"704082"	629.284017	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+H+K"	39.970434
"1459727"	223.084817	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H+K"	39.970434
"249789"	854.432226	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+ACN+H"	42.033826
"1217758"	448.233026	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+ACN+H"	42.033826
"1201640"	224.620151	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+ACN+2H"	43.041102
"197792"	857.36956	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+2Na-H"	44.97116
"635168"	1263.56876	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+2Na-H"	44.97116
"1139766"	451.17036	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2Na-H"	44.97116
"185244"	429.188418	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+2Na"	45.978436
"623707"	632.288018	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+2Na"	45.978436
"1122842"	226.088818	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2Na"	45.978436
"1409645"	151.061637333333	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H+2Na"	46.985712
"1438481"	453.211946	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H+HCOOH"	47.012746
"227082"	434.22144	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+3H2O+2H"	56.04448
"1518425"	467.26399	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+IsoProp+H"	61.06479
"418843"	437.175388	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+Na+K"	61.952376
"783487"	640.274988	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+Na+K"	61.952376
"1681279"	234.075788	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Na+K"	61.952376
"266997"	876.414168	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+ACN+Na"	64.015768
"1241246"	470.214968	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+ACN+Na"	64.015768
"1728308"	470.238493	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+NH4+HCOOH"	64.039293
"1194031"	158.388951333333	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+3Na"	68.967654
"1665376"	475.193888	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Na+HCOOH"	68.994688
"170411"	889.31744	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+2K-H"	76.91904
"608879"	1295.51664	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+2K-H"	76.91904
"1094850"	483.11824	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2K-H"	76.91904
"151666"	445.162358	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"2M+2K"	77.926316
"590497"	648.261958	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"3M+2K"	77.926316
"1082303"	242.062758	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2K"	77.926316
"1108222"	485.132792	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2K+H"	78.933592
"1349834"	485.220407	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+DMSO+H"	79.021207
"1015323"	489.259576	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2ACN+H"	83.060376
"1535272"	490.253208	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+IsoProp+Na+H"	84.054008
"997710"	245.133426	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+2ACN+2H"	84.067652
"1599867"	491.167828	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+K+HCOOH"	84.968628
"1423337"	521.199338	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+H+CF3COOH"	115.000138
"1151439"	265.646701	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+3ACN+2H"	125.094202
"1702086"	538.225885	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+NH4+CF3COOH"	132.026685
"1644308"	543.18128	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+Na+CF3COOH"	136.98208
"1578864"	559.15522	"C17052"	"Picrasin E"	"C22H30O7"	"406.1992"	"M+K+CF3COOH"	152.95602
"813606"	422.1941	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M"	0
"981671"	403.17571	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-H2O-H"	-19.01839
"72100"	280.455457333333	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M-3H"	-3.021828
"509474"	421.186824	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M-3H"	-3.021828
"892378"	139.724090666667	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-3H"	-3.021828
"6943"	421.186824	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M-2H"	-2.014552
"443223"	632.283874	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M-2H"	-2.014552
"821024"	210.089774	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-2H"	-2.014552
"83204"	843.380924	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M-H"	-1.007276
"527138"	1265.575024	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M-H"	-1.007276
"898379"	421.186824	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-H"	-1.007276
"49473"	860.407471	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M-2H+NH4"	16.019271
"487371"	1282.601571	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M-2H+NH4"	16.019271
"865008"	438.213371	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-2H+NH4"	16.019271
"31447"	865.362866	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M-2H+Na"	20.974666
"471466"	1287.556966	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M-2H+Na"	20.974666
"848651"	443.168766	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-2H+Na"	20.974666
"1618801"	443.168766	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Na-2H"	20.974666
"95980"	439.175163	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M-H+Cl"	33.962126
"536633"	650.272213	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M-H+Cl"	33.962126
"932335"	228.078113	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-H+Cl"	33.962126
"276364"	879.357602	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+Cl"	34.969402
"668784"	1301.551702	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+Cl"	34.969402
"1279002"	457.163502	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Cl"	34.969402
"21559"	881.336806	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M-2H+K"	36.948606
"465494"	1303.530906	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M-2H+K"	36.948606
"843295"	459.142706	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-2H+K"	36.948606
"1563502"	459.142706	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+K-2H"	36.948606
"949199"	467.192294	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-H+HCOOH"	44.998194
"368508"	889.386401	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+HCOOH-H"	44.998201
"355673"	903.402051	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+Hac-H"	59.013851
"1504142"	481.207951	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Hac-H"	59.013851
"965486"	489.174251	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-H+NaCOOH"	66.980151
"121320"	457.163502	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+2Cl"	69.938804
"559421"	668.260552	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+2Cl"	69.938804
"1034054"	246.066452	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2Cl"	69.938804
"1251079"	501.112985	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Br"	78.918885
"1314621"	503.168972	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Cl+HCOOH"	80.974872
"1329929"	525.150929	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Cl+NaCOOH"	102.956829
"912238"	535.179686	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M-H+CF3COOH"	112.985586
"1290407"	571.156364	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Cl+CF3COOH"	148.962264
"1368930"	387.181424	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H-2H2O"	-35.012676
"1386794"	405.1914	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H-H2O"	-17.0027
"285384"	845.395476	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+H"	1.007276
"679999"	1267.589576	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+H"	1.007276
"1357442"	423.201376	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H"	1.007276
"133615"	423.201376	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+2H"	2.014552
"576457"	634.298426	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+2H"	2.014552
"1050000"	212.104326	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2H"	2.014552
"216079"	282.470009333333	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+3H"	3.021828
"658799"	423.201376	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+3H"	3.021828
"1177050"	141.738642666667	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+3H"	3.021828
"437405"	862.422023	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+NH4"	18.033823
"799129"	1284.616123	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+NH4"	18.033823
"1691452"	440.227923	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+NH4"	18.033823
"338637"	431.7146495	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+H+NH4"	19.041099
"731057"	642.8116995	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+H+NH4"	19.041099
"1481596"	220.6175995	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H+NH4"	19.041099
"398092"	867.377418	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+Na"	22.989218
"761274"	1289.571518	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+Na"	22.989218
"1608279"	445.183318	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Na"	22.989218
"319408"	434.192347	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+H+Na"	23.996494
"715111"	645.289397	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+H+Na"	23.996494
"1471116"	223.095297	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H+Na"	23.996494
"1065456"	149.065956666667	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2H+Na"	25.00377
"1264950"	455.227586	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+CH3OH+H"	33.033486
"388991"	883.351358	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+K"	38.963158
"750718"	1305.545458	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+K"	38.963158
"1548761"	461.157258	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+K"	38.963158
"311769"	442.179317	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+H+K"	39.970434
"703461"	653.276367	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+H+K"	39.970434
"1456556"	231.082267	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H+K"	39.970434
"249536"	886.422026	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+ACN+H"	42.033826
"1217870"	464.227926	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+ACN+H"	42.033826
"1199566"	232.617601	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+ACN+2H"	43.041102
"195717"	889.35936	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+2Na-H"	44.97116
"635279"	1311.55346	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+2Na-H"	44.97116
"1143522"	467.16526	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2Na-H"	44.97116
"185354"	445.183318	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+2Na"	45.978436
"622724"	656.280368	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+2Na"	45.978436
"1118578"	234.086268	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2Na"	45.978436
"1403195"	156.393270666667	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H+2Na"	46.985712
"1438591"	469.206846	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H+HCOOH"	47.012746
"225005"	450.21634	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+3H2O+2H"	56.04448
"1516347"	483.25889	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+IsoProp+H"	61.06479
"416037"	453.170288	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+Na+K"	61.952376
"783232"	664.267338	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+Na+K"	61.952376
"1681283"	242.073238	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Na+K"	61.952376
"267115"	908.403968	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+ACN+Na"	64.015768
"1241297"	486.209868	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+ACN+Na"	64.015768
"1728406"	486.233393	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+NH4+HCOOH"	64.039293
"1193769"	163.720584666667	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+3Na"	68.967654
"1663295"	491.188788	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Na+HCOOH"	68.994688
"169428"	921.30724	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+2K-H"	76.91904
"609353"	1343.50134	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+2K-H"	76.91904
"1097148"	499.11314	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2K-H"	76.91904
"154693"	461.157258	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"2M+2K"	77.926316
"593890"	672.254308	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"3M+2K"	77.926316
"1082048"	250.060208	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2K"	77.926316
"1114166"	501.127692	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2K+H"	78.933592
"1350433"	501.215307	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+DMSO+H"	79.021207
"1019809"	505.254476	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2ACN+H"	83.060376
"1538543"	506.248108	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+IsoProp+Na+H"	84.054008
"998911"	253.130876	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+2ACN+2H"	84.067652
"1598881"	507.162728	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+K+HCOOH"	84.968628
"1424540"	537.194238	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+H+CF3COOH"	115.000138
"1149362"	273.644151	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+3ACN+2H"	125.094202
"1699280"	554.220785	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+NH4+CF3COOH"	132.026685
"1647698"	559.17618	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+Na+CF3COOH"	136.98208
"1578974"	575.15012	"C17053"	"Picrasin F"	"C22H30O8"	"422.1941"	"M+K+CF3COOH"	152.95602
"814811"	392.1835	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M"	0
"986157"	373.16511	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-H2O-H"	-19.01839
"75130"	260.448390666667	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M-3H"	-3.021828
"515055"	391.176224	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M-3H"	-3.021828
"890670"	129.720557333333	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-3H"	-3.021828
"13620"	391.176224	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M-2H"	-2.014552
"445523"	587.267974	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M-2H"	-2.014552
"821136"	195.084474	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-2H"	-2.014552
"83316"	783.359724	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M-H"	-1.007276
"526157"	1175.543224	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M-H"	-1.007276
"897274"	391.176224	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-H"	-1.007276
"52867"	800.386271	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M-2H+NH4"	16.019271
"493520"	1192.569771	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M-2H+NH4"	16.019271
"867678"	408.202771	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-2H+NH4"	16.019271
"33390"	805.341666	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M-2H+Na"	20.974666
"474412"	1197.525166	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M-2H+Na"	20.974666
"850391"	413.158166	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-2H+Na"	20.974666
"1622111"	413.158166	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Na-2H"	20.974666
"101557"	409.164563	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M-H+Cl"	33.962126
"538932"	605.256313	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M-H+Cl"	33.962126
"930261"	213.072813	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-H+Cl"	33.962126
"274284"	819.336402	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+Cl"	34.969402
"663791"	1211.519902	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+Cl"	34.969402
"1276559"	427.152902	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Cl"	34.969402
"21669"	821.315606	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M-2H+K"	36.948606
"461232"	1213.499106	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M-2H+K"	36.948606
"843409"	429.132106	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-2H+K"	36.948606
"1569083"	429.132106	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+K-2H"	36.948606
"953685"	437.181694	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-H+HCOOH"	44.998194
"375181"	829.365201	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+HCOOH-H"	44.998201
"355784"	843.380851	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+Hac-H"	59.013851
"1507171"	451.197351	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Hac-H"	59.013851
"971067"	459.163651	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-H+NaCOOH"	66.980151
"124712"	427.152902	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+2Cl"	69.938804
"563909"	623.244652	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+2Cl"	69.938804
"1033799"	231.061152	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2Cl"	69.938804
"1254835"	471.102385	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Br"	78.918885
"1312544"	473.158372	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Cl+HCOOH"	80.974872
"1326758"	495.140329	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Cl+NaCOOH"	102.956829
"913564"	505.169086	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M-H+CF3COOH"	112.985586
"1291975"	541.145764	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Cl+CF3COOH"	148.962264
"1370863"	357.170824	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H-2H2O"	-35.012676
"1385080"	375.1808	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H-H2O"	-17.0027
"285500"	785.374276	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+H"	1.007276
"685577"	1177.557776	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+H"	1.007276
"1357555"	393.190776	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H"	1.007276
"130443"	393.190776	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+2H"	2.014552
"571099"	589.282526	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+2H"	2.014552
"1043179"	197.099026	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2H"	2.014552
"215096"	262.462942666667	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+3H"	3.021828
"655024"	393.190776	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+3H"	3.021828
"1176430"	131.735109333333	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+3H"	3.021828
"436422"	802.400823	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+NH4"	18.033823
"797418"	1194.584323	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+NH4"	18.033823
"1691562"	410.217323	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+NH4"	18.033823
"337654"	401.7040495	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+H+NH4"	19.041099
"730073"	597.7957995	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+H+NH4"	19.041099
"1481706"	205.6122995	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H+NH4"	19.041099
"394920"	807.356218	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+Na"	22.989218
"758103"	1199.539718	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+Na"	22.989218
"1607295"	415.172718	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Na"	22.989218
"319519"	404.181747	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+H+Na"	23.996494
"716315"	600.273497	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+H+Na"	23.996494
"1472321"	208.089997	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H+Na"	23.996494
"1064474"	139.062423333333	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2H+Na"	25.00377
"1262873"	425.216986	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+CH3OH+H"	33.033486
"388010"	823.330158	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+K"	38.963158
"750099"	1215.513658	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+K"	38.963158
"1551787"	431.146658	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+K"	38.963158
"310421"	412.168717	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+H+K"	39.970434
"702843"	608.260467	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+H+K"	39.970434
"1456666"	216.076967	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H+K"	39.970434
"249282"	826.400826	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+ACN+H"	42.033826
"1214699"	434.217326	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+ACN+H"	42.033826
"1203687"	217.612301	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+ACN+2H"	43.041102
"198744"	829.33816	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+2Na-H"	44.97116
"634295"	1221.52166	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+2Na-H"	44.97116
"1134882"	437.15466	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2Na-H"	44.97116
"182184"	415.172718	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+2Na"	45.978436
"616277"	611.264468	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+2Na"	45.978436
"1117597"	219.080968	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2Na"	45.978436
"1405495"	146.389737333333	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H+2Na"	46.985712
"1440892"	439.196246	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H+HCOOH"	47.012746
"232046"	420.20574	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+3H2O+2H"	56.04448
"1519379"	453.24829	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+IsoProp+H"	61.06479
"418335"	423.159688	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+Na+K"	61.952376
"782978"	619.251438	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+Na+K"	61.952376
"1680049"	227.067938	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Na+K"	61.952376
"264742"	848.382768	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+ACN+Na"	64.015768
"1238546"	456.199268	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+ACN+Na"	64.015768
"1727431"	456.222793	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+NH4+HCOOH"	64.039293
"1190599"	153.717051333333	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+3Na"	68.967654
"1661224"	461.178188	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Na+HCOOH"	68.994688
"166258"	861.28604	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+2K-H"	76.91904
"605457"	1253.46954	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+2K-H"	76.91904
"1093614"	469.10254	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2K-H"	76.91904
"150797"	431.146658	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"2M+2K"	77.926316
"587442"	627.238408	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"3M+2K"	77.926316
"1077421"	235.054908	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2K"	77.926316
"1106983"	471.117092	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2K+H"	78.933592
"1342638"	471.204707	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+DMSO+H"	79.021207
"1008980"	475.243876	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2ACN+H"	83.060376
"1532573"	476.237508	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+IsoProp+Na+H"	84.054008
"995742"	238.125576	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+2ACN+2H"	84.067652
"1591338"	477.152128	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+K+HCOOH"	84.968628
"1420280"	507.183638	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+H+CF3COOH"	115.000138
"1156038"	258.638851	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+3ACN+2H"	125.094202
"1703402"	524.210185	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+NH4+CF3COOH"	132.026685
"1647808"	529.16558	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+Na+CF3COOH"	136.98208
"1579084"	545.13952	"C17054"	"Picrasin G"	"C21H28O7"	"392.1835"	"M+K+CF3COOH"	152.95602
"812733"	330.1679	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M"	0
"982984"	311.14951	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-H2O-H"	-19.01839
"72320"	219.104657333333	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M-3H"	-3.021828
"503498"	329.160624	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M-3H"	-3.021828
"887497"	109.048690666667	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-3H"	-3.021828
"6074"	329.160624	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M-2H"	-2.014552
"444539"	494.244574	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M-2H"	-2.014552
"821247"	164.076674	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-2H"	-2.014552
"80510"	659.328524	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M-H"	-1.007276
"526267"	989.496424	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M-H"	-1.007276
"899695"	329.160624	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-H"	-1.007276
"52979"	676.355071	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M-2H+NH4"	16.019271
"493633"	1006.522971	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M-2H+NH4"	16.019271
"868153"	346.187171	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-2H+NH4"	16.019271
"34595"	681.310466	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M-2H+Na"	20.974666
"476710"	1011.478366	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M-2H+Na"	20.974666
"851594"	351.142566	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-2H+Na"	20.974666
"1628417"	351.142566	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Na-2H"	20.974666
"106041"	347.148963	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M-H+Cl"	33.962126
"542322"	512.232913	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M-H+Cl"	33.962126
"932559"	182.065013	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-H+Cl"	33.962126
"269288"	695.305202	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+Cl"	34.969402
"665726"	1025.473102	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+Cl"	34.969402
"1283598"	365.137302	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Cl"	34.969402
"25060"	697.284406	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M-2H+K"	36.948606
"467904"	1027.452306	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M-2H+K"	36.948606
"843519"	367.116506	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-2H+K"	36.948606
"1569560"	367.116506	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+K-2H"	36.948606
"953795"	375.166094	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-H+HCOOH"	44.998194
"374927"	705.334001	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+HCOOH-H"	44.998201
"358080"	719.349651	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+Hac-H"	59.013851
"1504729"	389.181751	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Hac-H"	59.013851
"972879"	397.148051	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-H+NaCOOH"	66.980151
"123727"	365.137302	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+2Cl"	69.938804
"564384"	530.221252	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+2Cl"	69.938804
"1030629"	200.053352	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2Cl"	69.938804
"1252393"	409.086785	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Br"	78.918885
"1311561"	411.142772	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Cl+HCOOH"	80.974872
"1331245"	433.124729	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Cl+NaCOOH"	102.956829
"914284"	443.153486	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M-H+CF3COOH"	112.985586
"1292815"	479.130164	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Cl+CF3COOH"	148.962264
"1371339"	295.155224	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H-2H2O"	-35.012676
"1383367"	313.1652	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H-H2O"	-17.0027
"285244"	661.343076	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+H"	1.007276
"685687"	991.510976	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+H"	1.007276
"1356570"	331.175176	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H"	1.007276
"131645"	331.175176	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+2H"	2.014552
"570113"	496.259126	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+2H"	2.014552
"1048757"	166.091226	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2H"	2.014552
"214478"	221.119209333333	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+3H"	3.021828
"655131"	331.175176	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+3H"	3.021828
"1174354"	111.063242666667	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+3H"	3.021828
"434342"	678.369623	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+NH4"	18.033823
"794246"	1008.537523	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+NH4"	18.033823
"1688389"	348.201723	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+NH4"	18.033823
"334483"	339.6884495	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+H+NH4"	19.041099
"725079"	504.7723995	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+H+NH4"	19.041099
"1478897"	174.6044995	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H+NH4"	19.041099
"394058"	683.325018	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+Na"	22.989218
"759307"	1013.492918	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+Na"	22.989218
"1611780"	353.157118	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Na"	22.989218
"320723"	342.166147	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+H+Na"	23.996494
"717521"	507.250097	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+H+Na"	23.996494
"1470247"	177.082197	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H+Na"	23.996494
"1062397"	118.390556666667	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2H+Na"	25.00377
"1264077"	363.201386	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+CH3OH+H"	33.033486
"384840"	699.298958	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+K"	38.963158
"750209"	1029.466858	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+K"	38.963158
"1546794"	369.131058	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+K"	38.963158
"308344"	350.153117	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+H+K"	39.970434
"702954"	515.237067	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+H+K"	39.970434
"1456776"	185.069167	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H+K"	39.970434
"247934"	702.369626	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+ACN+H"	42.033826
"1221734"	372.201726	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+ACN+H"	42.033826
"1203065"	186.604501	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+ACN+2H"	43.041102
"198124"	705.30696	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+2Na-H"	44.97116
"641695"	1035.47486	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+2Na-H"	44.97116
"1136816"	375.13906	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2Na-H"	44.97116
"177921"	353.157118	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+2Na"	45.978436
"620760"	518.241068	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+2Na"	45.978436
"1120259"	188.073168	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2Na"	45.978436
"1406699"	125.717870666667	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H+2Na"	46.985712
"1438815"	377.180646	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H+HCOOH"	47.012746
"232883"	358.19014	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+3H2O+2H"	56.04448
"1518758"	391.23269	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+IsoProp+H"	61.06479
"419538"	361.144088	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+Na+K"	61.952376
"780534"	526.228038	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+Na+K"	61.952376
"1680156"	196.060138	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Na+K"	61.952376
"263397"	724.351568	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+ACN+Na"	64.015768
"1239023"	394.183668	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+ACN+Na"	64.015768
"1723531"	394.207193	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+NH4+HCOOH"	64.039293
"1190711"	133.045184666667	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+3Na"	68.967654
"1660969"	399.162588	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Na+HCOOH"	68.994688
"167466"	737.25484	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+2K-H"	76.91904
"605932"	1067.42274	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+2K-H"	76.91904
"1087894"	407.08694	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2K-H"	76.91904
"144711"	369.131058	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"2M+2K"	77.926316
"587552"	534.215008	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"3M+2K"	77.926316
"1072062"	204.047108	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2K"	77.926316
"1100892"	409.101492	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2K+H"	78.933592
"1342747"	409.189107	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+DMSO+H"	79.021207
"1011278"	413.228276	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2ACN+H"	83.060376
"1531592"	414.221908	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+IsoProp+Na+H"	84.054008
"1000224"	207.117776	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+2ACN+2H"	84.067652
"1591448"	415.136528	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+K+HCOOH"	84.968628
"1416378"	445.168038	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+H+CF3COOH"	115.000138
"1153959"	227.631051	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+3ACN+2H"	125.094202
"1703512"	462.194585	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+NH4+CF3COOH"	132.026685
"1635888"	467.14998	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+Na+CF3COOH"	136.98208
"1575914"	483.12392	"C17055"	"Picrocrocin"	"C16H26O7"	"330.1679"	"M+K+CF3COOH"	152.95602
"813936"	448.1006	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M"	0
"978719"	429.08221	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-H2O-H"	-19.01839
"72431"	297.726457333333	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M-3H"	-3.021828
"507618"	447.093324	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M-3H"	-3.021828
"887608"	148.359590666667	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-3H"	-3.021828
"12744"	447.093324	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M-2H"	-2.014552
"450118"	671.143624	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M-2H"	-2.014552
"823545"	223.043024	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-2H"	-2.014552
"80256"	895.193924	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M-H"	-1.007276
"528565"	1343.294524	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M-H"	-1.007276
"906367"	447.093324	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-H"	-1.007276
"57462"	912.220471	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M-2H+NH4"	16.019271
"500304"	1360.321071	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M-2H+NH4"	16.019271
"869359"	464.119871	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-2H+NH4"	16.019271
"37258"	917.175866	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M-2H+Na"	20.974666
"476820"	1365.276466	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M-2H+Na"	20.974666
"850977"	469.075266	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-2H+Na"	20.974666
"1625248"	469.075266	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Na-2H"	20.974666
"102871"	465.081663	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M-H+Cl"	33.962126
"548991"	689.131963	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M-H+Cl"	33.962126
"937044"	241.031363	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-H+Cl"	33.962126
"281795"	931.170602	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+Cl"	34.969402
"666926"	1379.271202	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+Cl"	34.969402
"1276415"	483.070002	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Cl"	34.969402
"25170"	933.149806	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M-2H+K"	36.948606
"464732"	1381.250406	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M-2H+K"	36.948606
"844720"	485.049206	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-2H+K"	36.948606
"1566022"	485.049206	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+K-2H"	36.948606
"950623"	493.098794	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-H+HCOOH"	44.998194
"369931"	941.199401	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+HCOOH-H"	44.998201
"360376"	955.215051	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+Hac-H"	59.013851
"1507024"	507.114451	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Hac-H"	59.013851
"968003"	515.080751	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-H+NaCOOH"	66.980151
"115816"	483.070002	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+2Cl"	69.938804
"563761"	707.120302	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+2Cl"	69.938804
"1035841"	259.019702	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2Cl"	69.938804
"1250316"	527.019485	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Br"	78.918885
"1311671"	529.075472	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Cl+HCOOH"	80.974872
"1326980"	551.057429	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Cl+NaCOOH"	102.956829
"922413"	561.086186	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M-H+CF3COOH"	112.985586
"1295841"	597.062864	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Cl+CF3COOH"	148.962264
"1372911"	413.087924	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H-2H2O"	-35.012676
"1391502"	431.0979	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H-H2O"	-17.0027
"289001"	897.208476	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+H"	1.007276
"683610"	1345.309076	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+H"	1.007276
"1363610"	449.107876	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H"	1.007276
"132853"	449.107876	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+2H"	2.014552
"570952"	673.158176	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+2H"	2.014552
"1045587"	225.057576	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2H"	2.014552
"216771"	299.741009333333	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+3H"	3.021828
"653049"	449.107876	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+3H"	3.021828
"1173369"	150.374142666667	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+3H"	3.021828
"431175"	914.235023	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+NH4"	18.033823
"788160"	1362.335623	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+NH4"	18.033823
"1684490"	466.134423	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+NH4"	18.033823
"333863"	457.6211495	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+H+NH4"	19.041099
"725187"	681.6714495	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+H+NH4"	19.041099
"1479369"	233.5708495	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H+NH4"	19.041099
"400609"	919.190418	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+Na"	22.989218
"758324"	1367.291018	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+Na"	22.989218
"1611890"	471.089818	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Na"	22.989218
"323022"	460.098847	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+H+Na"	23.996494
"718723"	684.149147	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+H+Na"	23.996494
"1473637"	236.048547	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H+Na"	23.996494
"1065064"	157.701456666667	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2H+Na"	25.00377
"1269657"	481.134086	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+CH3OH+H"	33.033486
"386046"	935.164358	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+K"	38.963158
"749227"	1383.264958	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+K"	38.963158
"1554561"	487.063758	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+K"	38.963158
"311371"	468.085817	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+H+K"	39.970434
"706350"	692.136117	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+H+K"	39.970434
"1456888"	244.035517	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H+K"	39.970434
"244395"	938.235026	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+ACN+H"	42.033826
"1222571"	490.134426	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+ACN+H"	42.033826
"1204269"	245.570851	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+ACN+2H"	43.041102
"200422"	941.17236	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+2Na-H"	44.97116
"637795"	1389.27296	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+2Na-H"	44.97116
"1138023"	493.07176	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2Na-H"	44.97116
"180218"	471.089818	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+2Na"	45.978436
"621963"	695.140118	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+2Na"	45.978436
"1121098"	247.039518	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2Na"	45.978436
"1408995"	165.028770666667	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H+2Na"	46.985712
"1442205"	495.113346	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H+HCOOH"	47.012746
"233722"	476.12284	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+3H2O+2H"	56.04448
"1523487"	509.16539	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+IsoProp+H"	61.06479
"422928"	479.076788	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+Na+K"	61.952376
"782466"	703.127088	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+Na+K"	61.952376
"1679166"	255.026488	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Na+K"	61.952376
"265330"	960.216968	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+ACN+Na"	64.015768
"1239498"	512.116368	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+ACN+Na"	64.015768
"1722548"	512.139893	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+NH4+HCOOH"	64.039293
"1189362"	172.356084666667	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+3Na"	68.967654
"1661077"	517.095288	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Na+HCOOH"	68.994688
"170492"	973.12024	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+2K-H"	76.91904
"606406"	1421.22084	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+2K-H"	76.91904
"1091283"	525.01964	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2K-H"	76.91904
"147006"	487.063758	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"2M+2K"	77.926316
"588755"	711.114058	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"3M+2K"	77.926316
"1070712"	263.013458	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2K"	77.926316
"1103194"	527.034192	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2K+H"	78.933592
"1339579"	527.121807	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+DMSO+H"	79.021207
"1009201"	531.160976	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2ACN+H"	83.060376
"1526597"	532.154608	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+IsoProp+Na+H"	84.054008
"999244"	266.084126	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+2ACN+2H"	84.067652
"1593747"	533.069228	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+K+HCOOH"	84.968628
"1418313"	563.100738	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+H+CF3COOH"	115.000138
"1150786"	286.597401	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+3ACN+2H"	125.094202
"1701432"	580.127285	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+NH4+CF3COOH"	132.026685
"1635998"	585.08268	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+Na+CF3COOH"	136.98208
"1576024"	601.05662	"C17056"	"Plantaginin;Scutellarein 7beta-D-glucopyranoside"	"C21H20O11"	"448.1006"	"M+K+CF3COOH"	152.95602
"810767"	548.153	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M"	0
"977736"	529.13461	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-H2O-H"	-19.01839
"69261"	364.428057333333	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M-3H"	-3.021828
"512102"	547.145724	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M-3H"	-3.021828
"887716"	181.710390666667	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-3H"	-3.021828
"10664"	547.145724	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M-2H"	-2.014552
"444759"	821.222224	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M-2H"	-2.014552
"820372"	273.069224	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-2H"	-2.014552
"81459"	1095.298724	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M-H"	-1.007276
"521017"	1643.451724	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M-H"	-1.007276
"896631"	547.145724	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-H"	-1.007276
"49917"	1112.325271	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M-2H+NH4"	16.019271
"490570"	1660.478271	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M-2H+NH4"	16.019271
"869469"	564.172271	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-2H+NH4"	16.019271
"35181"	1117.280666	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M-2H+Na"	20.974666
"476930"	1665.433666	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M-2H+Na"	20.974666
"850115"	569.127666	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-2H+Na"	20.974666
"1625358"	569.127666	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Na-2H"	20.974666
"106261"	565.134063	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M-H+Cl"	33.962126
"548373"	839.210563	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M-H+Cl"	33.962126
"936059"	291.057563	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-H+Cl"	33.962126
"281663"	1131.275402	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+Cl"	34.969402
"667036"	1679.428402	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+Cl"	34.969402
"1279441"	583.122402	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Cl"	34.969402
"25280"	1133.254606	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M-2H+K"	36.948606
"464842"	1681.407606	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M-2H+K"	36.948606
"843737"	585.101606	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-2H+K"	36.948606
"1566132"	585.101606	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+K-2H"	36.948606
"952920"	593.151194	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-H+HCOOH"	44.998194
"370041"	1141.304201	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+HCOOH-H"	44.998201
"358299"	1155.319851	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+Hac-H"	59.013851
"1507740"	607.166851	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Hac-H"	59.013851
"971393"	615.133151	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-H+NaCOOH"	66.980151
"120300"	583.122402	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+2Cl"	69.938804
"558768"	857.198902	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+2Cl"	69.938804
"1035222"	309.045902	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2Cl"	69.938804
"1251519"	627.071885	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Br"	78.918885
"1315061"	629.127872	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Cl+HCOOH"	80.974872
"1329277"	651.109829	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Cl+NaCOOH"	102.956829
"920336"	661.138586	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M-H+CF3COOH"	112.985586
"1298138"	697.115264	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Cl+CF3COOH"	148.962264
"1371928"	513.140324	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H-2H2O"	-35.012676
"1391612"	531.1503	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H-H2O"	-17.0027
"288018"	1097.313276	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+H"	1.007276
"683720"	1645.466276	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+H"	1.007276
"1357888"	549.160276	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H"	1.007276
"130773"	549.160276	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+2H"	2.014552
"571427"	823.236776	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+2H"	2.014552
"1045697"	275.083776	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2H"	2.014552
"217609"	366.442609333333	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+3H"	3.021828
"653159"	549.160276	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+3H"	3.021828
"1173474"	183.724942666667	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+3H"	3.021828
"434563"	1114.339823	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+NH4"	18.033823
"797379"	1662.492823	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+NH4"	18.033823
"1692982"	566.186823	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+NH4"	18.033823
"332512"	557.6735495	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+H+NH4"	19.041099
"725661"	831.7500495	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+H+NH4"	19.041099
"1479479"	283.5970495	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H+NH4"	19.041099
"400720"	1119.295218	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+Na"	22.989218
"761717"	1667.448218	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+Na"	22.989218
"1610908"	571.142218	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Na"	22.989218
"323134"	560.151247	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+H+Na"	23.996494
"713368"	834.227747	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+H+Na"	23.996494
"1473747"	286.074747	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H+Na"	23.996494
"1064080"	191.052256666667	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2H+Na"	25.00377
"1269769"	581.186486	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+CH3OH+H"	33.033486
"386157"	1135.269158	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+K"	38.963158
"750432"	1683.422158	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+K"	38.963158
"1553213"	587.116158	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+K"	38.963158
"311847"	568.138217	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+H+K"	39.970434
"705729"	842.214717	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+H+K"	39.970434
"1454811"	294.061717	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H+K"	39.970434
"244505"	1138.339826	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+ACN+H"	42.033826
"1219402"	590.186826	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+ACN+H"	42.033826
"1202191"	295.597051	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+ACN+2H"	43.041102
"202111"	1141.27716	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+2Na-H"	44.97116
"640093"	1689.43016	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+2Na-H"	44.97116
"1143598"	593.12416	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2Na-H"	44.97116
"185794"	571.142218	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+2Na"	45.978436
"623167"	845.218718	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+2Na"	45.978436
"1123395"	297.065718	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2Na"	45.978436
"1410199"	198.379570666667	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H+2Na"	46.985712
"1444989"	595.165746	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H+HCOOH"	47.012746
"233103"	576.17524	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+3H2O+2H"	56.04448
"1521164"	609.21779	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+IsoProp+H"	61.06479
"421945"	579.129188	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+Na+K"	61.952376
"783670"	853.205688	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+Na+K"	61.952376
"1679277"	305.052688	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Na+K"	61.952376
"265320"	1160.321768	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+ACN+Na"	64.015768
"1238878"	612.168768	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+ACN+Na"	64.015768
"1723386"	612.192293	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+NH4+HCOOH"	64.039293
"1191657"	205.706884666667	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+3Na"	68.967654
"1661551"	617.147688	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Na+HCOOH"	68.994688
"171330"	1173.22504	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+2K-H"	76.91904
"609067"	1721.37804	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+2K-H"	76.91904
"1090300"	625.07204	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2K-H"	76.91904
"147117"	587.116158	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"2M+2K"	77.926316
"586679"	861.192658	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"3M+2K"	77.926316
"1070579"	313.039658	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2K"	77.926316
"1103304"	627.086592	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2K+H"	78.933592
"1342969"	627.174207	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+DMSO+H"	79.021207
"1006148"	631.213376	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2ACN+H"	83.060376
"1525371"	632.207008	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+IsoProp+Na+H"	84.054008
"999355"	316.110326	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+2ACN+2H"	84.067652
"1594950"	633.121628	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+K+HCOOH"	84.968628
"1416236"	663.153138	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+H+CF3COOH"	115.000138
"1153084"	336.623601	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+3ACN+2H"	125.094202
"1700447"	680.179685	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+NH4+CF3COOH"	132.026685
"1635015"	685.13508	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+Na+CF3COOH"	136.98208
"1576134"	701.10902	"C17057"	"Puerarin xyloside"	"C26H28O13"	"548.153"	"M+K+CF3COOH"	152.95602
"813063"	384.2301	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M"	0
"983316"	365.21171	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-H2O-H"	-19.01839
"67185"	255.146124	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M-3H"	-3.021828
"504558"	383.222824	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M-3H"	-3.021828
"884547"	127.069424	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-3H"	-3.021828
"4216"	383.222824	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M-2H"	-2.014552
"443772"	575.337874	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M-2H"	-2.014552
"819387"	191.107774	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-2H"	-2.014552
"80109"	767.452924	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M-H"	-1.007276
"522220"	1151.683024	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M-H"	-1.007276
"899291"	383.222824	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-H"	-1.007276
"50755"	784.479471	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M-2H+NH4"	16.019271
"489588"	1168.709571	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M-2H+NH4"	16.019271
"869579"	400.249371	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-2H+NH4"	16.019271
"39668"	789.434866	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M-2H+Na"	20.974666
"474853"	1173.664966	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M-2H+Na"	20.974666
"850466"	405.204766	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-2H+Na"	20.974666
"1621458"	405.204766	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Na-2H"	20.974666
"100904"	401.211163	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M-H+Cl"	33.962126
"544840"	593.326213	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M-H+Cl"	33.962126
"933982"	209.096113	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-H+Cl"	33.962126
"273634"	803.429602	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+Cl"	34.969402
"668241"	1187.659702	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+Cl"	34.969402
"1278458"	419.199502	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Cl"	34.969402
"25390"	805.408806	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M-2H+K"	36.948606
"464952"	1189.638906	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M-2H+K"	36.948606
"846763"	421.178706	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-2H+K"	36.948606
"1567335"	421.178706	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+K-2H"	36.948606
"954123"	429.228294	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-H+HCOOH"	44.998194
"370151"	813.458401	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+HCOOH-H"	44.998201
"358409"	827.474051	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+Hac-H"	59.013851
"1507607"	443.243951	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Hac-H"	59.013851
"971503"	451.210251	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-H+NaCOOH"	66.980151
"119317"	419.199502	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+2Cl"	69.938804
"558878"	611.314552	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+2Cl"	69.938804
"1033144"	227.084452	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2Cl"	69.938804
"1252723"	463.148985	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Br"	78.918885
"1314807"	465.204972	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Cl+HCOOH"	80.974872
"1329387"	487.186929	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Cl+NaCOOH"	102.956829
"919352"	497.215686	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M-H+CF3COOH"	112.985586
"1297155"	533.192364	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Cl+CF3COOH"	148.962264
"1372038"	349.217424	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H-2H2O"	-35.012676
"1391722"	367.2274	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H-H2O"	-17.0027
"291408"	769.467476	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+H"	1.007276
"684923"	1153.697576	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+H"	1.007276
"1359091"	385.237376	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H"	1.007276
"130883"	385.237376	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+2H"	2.014552
"571537"	577.352426	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+2H"	2.014552
"1042524"	193.122326	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2H"	2.014552
"213708"	257.160676	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+3H"	3.021828
"651082"	385.237376	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+3H"	3.021828
"1173584"	129.083976	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+3H"	3.021828
"436132"	786.494023	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+NH4"	18.033823
"798219"	1170.724123	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+NH4"	18.033823
"1692728"	402.263923	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+NH4"	18.033823
"332623"	393.7506495	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+H+NH4"	19.041099
"724316"	585.8656995	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+H+NH4"	19.041099
"1478498"	201.6355995	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H+NH4"	19.041099
"398643"	791.449418	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+Na"	22.989218
"760733"	1175.679518	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+Na"	22.989218
"1609925"	407.219318	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Na"	22.989218
"322150"	396.228347	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+H+Na"	23.996494
"714571"	588.343397	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+H+Na"	23.996494
"1472764"	204.113297	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H+Na"	23.996494
"1064190"	136.41129	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2H+Na"	25.00377
"1266597"	417.263586	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+CH3OH+H"	33.033486
"387361"	807.423358	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+K"	38.963158
"751636"	1191.653458	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+K"	38.963158
"1548219"	423.193258	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+K"	38.963158
"312686"	404.215317	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+H+K"	39.970434
"705110"	596.330367	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+H+K"	39.970434
"1454921"	212.100267	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H+K"	39.970434
"242428"	810.494026	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+ACN+H"	42.033826
"1219512"	426.263926	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+ACN+H"	42.033826
"1204488"	213.635601	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+ACN+2H"	43.041102
"202463"	813.43136	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+2Na-H"	44.97116
"640203"	1197.66146	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+2Na-H"	44.97116
"1146143"	429.20126	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2Na-H"	44.97116
"177522"	407.219318	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+2Na"	45.978436
"624370"	599.334368	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+2Na"	45.978436
"1126785"	215.104268	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2Na"	45.978436
"1410309"	143.738604	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H+2Na"	46.985712
"1443520"	431.242846	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H+HCOOH"	47.012746
"233943"	412.25234	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+3H2O+2H"	56.04448
"1522612"	445.29489	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+IsoProp+H"	61.06479
"422420"	415.206288	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+Na+K"	61.952376
"783781"	607.321338	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+Na+K"	61.952376
"1679024"	223.091238	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Na+K"	61.952376
"261172"	832.475968	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+ACN+Na"	64.015768
"1239715"	448.245868	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+ACN+Na"	64.015768
"1721308"	448.269393	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+NH4+HCOOH"	64.039293
"1189215"	151.065918	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+3Na"	68.967654
"1659473"	453.224788	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Na+HCOOH"	68.994688
"170344"	845.37924	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+2K-H"	76.91904
"609177"	1229.60934	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+2K-H"	76.91904
"1092598"	461.14914	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2K-H"	76.91904
"147226"	423.193258	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"2M+2K"	77.926316
"587883"	615.308308	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"3M+2K"	77.926316
"1068508"	231.078208	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2K"	77.926316
"1101714"	463.163692	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2K+H"	78.933592
"1339799"	463.251307	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+DMSO+H"	79.021207
"1015983"	467.290476	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2ACN+H"	83.060376
"1528641"	468.284108	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+IsoProp+Na+H"	84.054008
"1000558"	234.148876	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+2ACN+2H"	84.067652
"1596154"	469.198728	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+K+HCOOH"	84.968628
"1417440"	499.230238	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+H+CF3COOH"	115.000138
"1152101"	254.662151	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+3ACN+2H"	125.094202
"1700557"	516.256785	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+NH4+CF3COOH"	132.026685
"1635125"	521.21218	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+Na+CF3COOH"	136.98208
"1576244"	537.18612	"C17058"	"Resibufogenin;Bufogein"	"C24H32O4"	"384.2301"	"M+K+CF3COOH"	152.95602
"809893"	300.0634	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M"	0
"977959"	281.04501	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"65108"	199.034990666667	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"504668"	299.056124	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"884656"	99.0138573333333	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"2139"	299.056124	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"440968"	449.087824	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"820591"	149.024424	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"82042"	599.119524	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"522330"	899.182924	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"897579"	299.056124	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"51229"	616.146071	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"491155"	916.209471	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"868960"	316.082671	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"39778"	621.101466	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"475691"	921.164866	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"851304"	321.038066	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1623391"	321.038066	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"99921"	317.044463	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"543857"	467.076163	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"938464"	167.012763	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"274834"	635.096202	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"669441"	935.159602	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1276014"	335.032802	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"24407"	637.075406	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"465062"	937.138806	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"846144"	337.012006	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1568539"	337.012006	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"954233"	345.061594	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"370261"	645.125001	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"355238"	659.140651	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1505894"	359.077251	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"971613"	367.043551	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"117240"	335.032802	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"557894"	485.064502	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1033254"	185.001102	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1253926"	378.982285	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1313094"	381.038272	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1328403"	403.020229	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"916182"	413.048986	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1295078"	449.025664	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1374335"	265.050724	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1392926"	283.0607	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"291518"	601.134076	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"685033"	901.197476	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1359202"	301.070676	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"130993"	301.070676	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"571282"	451.102376	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1042634"	151.038976	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"213818"	201.049542666667	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"653379"	301.070676	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1175881"	101.028409333333	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"436970"	618.160623	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"796868"	918.224023	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1693202"	318.097223	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"333099"	309.5839495	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"725153"	459.6156495	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1478970"	159.5522495	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"398753"	623.116018	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"759750"	923.179418	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1608946"	323.052618	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"321168"	312.061647	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"711402"	462.093347	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1468501"	162.029947	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1061748"	108.355723333333	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1265614"	333.096886	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"387105"	639.089958	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"749559"	939.153358	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1548329"	339.026558	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"312067"	320.048617	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"703764"	470.080317	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1453938"	170.016917	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"243633"	642.160626	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1218530"	342.097226	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1204598"	171.552251	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"200388"	645.09796	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"638126"	945.16136	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1146377"	345.03456	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"186261"	323.052618	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"623388"	473.084318	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1123615"	173.020918	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1410419"	115.683037333333	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1443996"	347.076146	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"232959"	328.08564	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1522481"	361.12819	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"422164"	331.039588	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"783769"	481.071288	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1678402"	181.007888	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"263469"	664.142568	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1238003"	364.079168	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1721054"	364.102693	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1190782"	123.010351333333	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1660677"	369.058088	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"168632"	677.04584	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"608193"	977.10924	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1092706"	376.98244	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"146244"	339.026558	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"585806"	489.058258	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1068730"	188.994858	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1101338"	378.996992	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1342098"	379.084607	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1015001"	383.123776	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1529848"	384.117408	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"999574"	192.065526	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1598450"	385.032028	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1417550"	415.063538	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1151117"	212.578801	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1698844"	432.090085	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1638515"	437.04548	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1576354"	453.01942	"C17059"	"Rhamnocitrin;7-Methylkaempferol;345-Trihydroxy-7-methoxyflavone"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"810003"	622.3043	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M"	0
"976976"	603.28591	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-H2O-H"	-19.01839
"63636"	413.862257333333	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M-3H"	-3.021828
"504778"	621.297024	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M-3H"	-3.021828
"884765"	206.427490666667	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-3H"	-3.021828
"2249"	621.297024	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H"	-2.014552
"442900"	932.449174	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H"	-2.014552
"819970"	310.144874	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H"	-2.014552
"81786"	1243.601324	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M-H"	-1.007276
"520737"	1865.905624	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M-H"	-1.007276
"897693"	621.297024	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-H"	-1.007276
"50246"	1260.627871	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H+NH4"	16.019271
"491265"	1882.932171	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H+NH4"	16.019271
"873081"	638.323571	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H+NH4"	16.019271
"39888"	1265.583266	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H+Na"	20.974666
"477262"	1887.887566	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H+Na"	20.974666
"851051"	643.278966	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H+Na"	20.974666
"1624959"	643.278966	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na-2H"	20.974666
"101124"	639.285363	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M-H+Cl"	33.962126
"542873"	950.437513	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M-H+Cl"	33.962126
"938573"	328.133213	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+Cl"	33.962126
"280412"	1279.578002	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Cl"	34.969402
"670645"	1901.882302	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+Cl"	34.969402
"1280863"	657.273702	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl"	34.969402
"26704"	1281.557206	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M-2H+K"	36.948606
"466266"	1903.861506	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M-2H+K"	36.948606
"845161"	659.252906	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-2H+K"	36.948606
"1568649"	659.252906	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+K-2H"	36.948606
"953979"	667.302494	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+HCOOH"	44.998194
"370371"	1289.606801	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+HCOOH-H"	44.998201
"355348"	1303.622451	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Hac-H"	59.013851
"1506734"	681.318151	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Hac-H"	59.013851
"971358"	689.284451	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+NaCOOH"	66.980151
"121723"	657.273702	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2Cl"	69.938804
"562377"	968.425852	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2Cl"	69.938804
"1034457"	346.121552	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2Cl"	69.938804
"1255129"	701.223185	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Br"	78.918885
"1314298"	703.279172	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl+HCOOH"	80.974872
"1330700"	725.261129	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl+NaCOOH"	102.956829
"918478"	735.289886	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M-H+CF3COOH"	112.985586
"1296281"	771.266564	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Cl+CF3COOH"	148.962264
"1368977"	587.291624	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H-2H2O"	-35.012676
"1393037"	605.3016	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H-H2O"	-17.0027
"287253"	1245.615876	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H"	1.007276
"680768"	1867.920176	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H"	1.007276
"1359310"	623.311576	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H"	1.007276
"130011"	623.311576	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2H"	2.014552
"570665"	934.463726	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2H"	2.014552
"1044932"	312.159426	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2H"	2.014552
"213928"	415.876809333333	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+3H"	3.021828
"656769"	623.311576	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+3H"	3.021828
"1177693"	208.442042666667	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+3H"	3.021828
"437808"	1262.642423	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+NH4"	18.033823
"796978"	1884.946723	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+NH4"	18.033823
"1692219"	640.338123	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+NH4"	18.033823
"334302"	631.8248495	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H+NH4"	19.041099
"724535"	942.9769995	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H+NH4"	19.041099
"1478355"	320.6726995	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+NH4"	19.041099
"397770"	1267.597818	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Na"	22.989218
"759860"	1889.902118	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+Na"	22.989218
"1609055"	645.293518	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na"	22.989218
"322370"	634.302547	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H+Na"	23.996494
"714791"	945.454697	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H+Na"	23.996494
"1468611"	323.150397	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+Na"	23.996494
"1059671"	215.769356666667	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2H+Na"	25.00377
"1264629"	655.337786	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+CH3OH+H"	33.033486
"386486"	1283.571758	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+K"	38.963158
"749669"	1905.876058	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+K"	38.963158
"1548439"	661.267458	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+K"	38.963158
"312177"	642.289517	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+H+K"	39.970434
"704602"	953.441667	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+H+K"	39.970434
"1454048"	331.137367	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+K"	39.970434
"244836"	1286.642426	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+ACN+H"	42.033826
"1217545"	664.338126	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+ACN+H"	42.033826
"1204708"	332.672701	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+ACN+2H"	43.041102
"201835"	1289.57976	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2Na-H"	44.97116
"640423"	1911.88406	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2Na-H"	44.97116
"1145385"	667.27546	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2Na-H"	44.97116
"187954"	645.293518	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2Na"	45.978436
"624957"	956.445668	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2Na"	45.978436
"1125910"	334.141368	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2Na"	45.978436
"1412475"	223.096670666667	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+2Na"	46.985712
"1444349"	669.317046	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+HCOOH"	47.012746
"233069"	650.32654	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+3H2O+2H"	56.04448
"1523321"	683.36909	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+H"	61.06479
"423738"	653.280488	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+Na+K"	61.952376
"784972"	964.432638	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+Na+K"	61.952376
"1679971"	342.128338	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na+K"	61.952376
"263215"	1308.624368	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+ACN+Na"	64.015768
"1239936"	686.320068	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+ACN+Na"	64.015768
"1721894"	686.343593	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+NH4+HCOOH"	64.039293
"1188705"	230.423984666667	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+3Na"	68.967654
"1661516"	691.298988	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na+HCOOH"	68.994688
"169836"	1321.52764	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2K-H"	76.91904
"610492"	1943.83194	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2K-H"	76.91904
"1093911"	699.22334	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2K-H"	76.91904
"148541"	661.267458	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"2M+2K"	77.926316
"589196"	972.419608	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"3M+2K"	77.926316
"1068843"	350.115308	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2K"	77.926316
"1104727"	701.237892	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2K+H"	78.933592
"1347675"	701.325507	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+DMSO+H"	79.021207
"1017300"	705.364676	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2ACN+H"	83.060376
"1533238"	706.358308	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+Na+H"	84.054008
"999684"	353.185976	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+2ACN+2H"	84.067652
"1598563"	707.272928	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+K+HCOOH"	84.968628
"1418753"	737.304438	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+H+CF3COOH"	115.000138
"1153414"	373.699251	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+3ACN+2H"	125.094202
"1700048"	754.330985	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+NH4+CF3COOH"	132.026685
"1638625"	759.28638	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+Na+CF3COOH"	136.98208
"1576464"	775.26032	"C17060"	"Isotetrandrine"	"C38H42N2O6"	"622.3043"	"M+K+CF3COOH"	152.95602
"812300"	84.9118	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M"	0
"977085"	65.89341	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-H2O-H"	-19.01839
"64234"	55.6005906666667	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M-3H"	-3.021828
"507076"	83.904524	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M-3H"	-3.021828
"882690"	27.2966573333333	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-3H"	-3.021828
"535"	83.904524	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M-2H"	-2.014552
"441917"	126.360424	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M-2H"	-2.014552
"820808"	41.448624	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-2H"	-2.014552
"80073"	168.816324	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M-H"	-1.007276
"521088"	253.728124	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M-H"	-1.007276
"898163"	83.904524	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-H"	-1.007276
"52177"	185.842871	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M-2H+NH4"	16.019271
"497574"	270.754671	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M-2H+NH4"	16.019271
"874284"	100.931071	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-2H+NH4"	16.019271
"39998"	190.798266	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M-2H+Na"	20.974666
"479560"	275.710066	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M-2H+Na"	20.974666
"851890"	105.886466	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-2H+Na"	20.974666
"1622882"	105.886466	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Na-2H"	20.974666
"100142"	101.892863	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M-H+Cl"	33.962126
"540798"	144.348763	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M-H+Cl"	33.962126
"933216"	59.436963	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-H+Cl"	33.962126
"277242"	204.793002	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+Cl"	34.969402
"669661"	289.704802	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+Cl"	34.969402
"1282066"	119.881202	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Cl"	34.969402
"24626"	206.772206	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M-2H+K"	36.948606
"465284"	291.684006	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M-2H+K"	36.948606
"847097"	121.860406	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-2H+K"	36.948606
"1568762"	121.860406	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+K-2H"	36.948606
"956891"	129.909994	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-H+HCOOH"	44.998194
"373764"	214.821801	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+HCOOH-H"	44.998201
"355458"	228.837451	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+Hac-H"	59.013851
"1499916"	143.925651	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Hac-H"	59.013851
"968917"	151.891951	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-H+NaCOOH"	66.980151
"121469"	119.881202	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+2Cl"	69.938804
"562487"	162.337102	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+2Cl"	69.938804
"1032380"	77.425302	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2Cl"	69.938804
"1253052"	163.830685	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Br"	78.918885
"1315501"	165.886672	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Cl+HCOOH"	80.974872
"1331903"	187.868629	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Cl+NaCOOH"	102.956829
"918588"	197.897386	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M-H+CF3COOH"	112.985586
"1298577"	233.874064	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Cl+CF3COOH"	148.962264
"1377834"	49.899124	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H-2H2O"	-35.012676
"1388770"	67.9091	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H-H2O"	-17.0027
"288457"	170.830876	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+H"	1.007276
"685252"	255.742676	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+H"	1.007276
"1358327"	85.919076	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H"	1.007276
"132308"	85.919076	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+2H"	2.014552
"570410"	128.374976	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+2H"	2.014552
"1043584"	43.463176	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2H"	2.014552
"212945"	57.6151426666667	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+3H"	3.021828
"653600"	85.919076	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+3H"	3.021828
"1175009"	29.3112093333333	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+3H"	3.021828
"437554"	187.857423	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+NH4"	18.033823
"794902"	272.769223	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+NH4"	18.033823
"1694151"	102.945623	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+NH4"	18.033823
"336233"	94.4323495	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+H+NH4"	19.041099
"725376"	136.8882495	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+H+NH4"	19.041099
"1479195"	51.9764495	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H+NH4"	19.041099
"394599"	192.812818	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+Na"	22.989218
"762156"	277.724618	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+Na"	22.989218
"1609165"	107.901018	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Na"	22.989218
"321384"	96.910047	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+H+Na"	23.996494
"713807"	139.365947	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+H+Na"	23.996494
"1466534"	54.454147	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H+Na"	23.996494
"1055042"	36.6385233333333	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2H+Na"	25.00377
"1263646"	117.945286	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+CH3OH+H"	33.033486
"385502"	208.786758	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+K"	38.963158
"745404"	293.698558	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+K"	38.963158
"1548549"	123.874958	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+K"	38.963158
"312287"	104.897017	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+H+K"	39.970434
"703616"	147.352917	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+H+K"	39.970434
"1450876"	62.441117	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H+K"	39.970434
"243852"	211.857426	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+ACN+H"	42.033826
"1217654"	126.945626	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+ACN+H"	42.033826
"1204819"	63.976451	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+ACN+2H"	43.041102
"199877"	214.79476	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+2Na-H"	44.97116
"640532"	299.70656	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+2Na-H"	44.97116
"1145133"	129.88296	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2Na-H"	44.97116
"187326"	107.901018	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+2Na"	45.978436
"623608"	150.356918	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+2Na"	45.978436
"1122739"	65.445118	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2Na"	45.978436
"1413313"	43.9658373333333	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H+2Na"	46.985712
"1444823"	131.924546	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H+HCOOH"	47.012746
"233543"	112.93404	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+3H2O+2H"	56.04448
"1523674"	145.97659	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+IsoProp+H"	61.06479
"423484"	115.887988	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+Na+K"	61.952376
"784961"	158.343888	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+Na+K"	61.952376
"1679716"	73.432088	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Na+K"	61.952376
"263325"	233.839368	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+ACN+Na"	64.015768
"1238952"	148.927568	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+ACN+Na"	64.015768
"1723460"	148.951093	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+NH4+HCOOH"	64.039293
"1191002"	51.2931513333333	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+3Na"	68.967654
"1665356"	153.906488	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Na+HCOOH"	68.994688
"171526"	246.74264	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+2K-H"	76.91904
"611573"	331.65444	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+2K-H"	76.91904
"1092927"	161.83084	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2K-H"	76.91904
"148651"	123.874958	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"2M+2K"	77.926316
"587116"	166.330858	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"3M+2K"	77.926316
"1069441"	81.419058	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2K"	77.926316
"1105931"	163.845392	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2K+H"	78.933592
"1344505"	163.933007	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+DMSO+H"	79.021207
"1017410"	167.972176	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2ACN+H"	83.060376
"1533348"	168.965808	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+IsoProp+Na+H"	84.054008
"997608"	84.489726	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+2ACN+2H"	84.067652
"1598673"	169.880428	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+K+HCOOH"	84.968628
"1419957"	199.911938	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+H+CF3COOH"	115.000138
"1153525"	105.003001	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+3ACN+2H"	125.094202
"1701982"	216.938485	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+NH4+CF3COOH"	132.026685
"1634161"	221.89388	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+Na+CF3COOH"	136.98208
"1576574"	237.86782	"C17061"	"Rubidium cation;Rb;Rubidium(1);Rubidium ion"	"Rb"	"84.9118"	"M+K+CF3COOH"	152.95602
"810224"	150.1045	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M"	0
"981570"	131.08611	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"66532"	99.0623906666667	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"505000"	149.097224	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"883895"	49.0275573333333	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"6844"	149.097224	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"441664"	224.149474	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"818735"	74.044974	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"80669"	299.201724	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"524842"	449.306224	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"900459"	149.097224	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"50826"	316.228271	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"501938"	466.332771	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"875490"	166.123771	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"42298"	321.183666	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"477847"	471.288166	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"852005"	171.079166	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1622631"	171.079166	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"100253"	167.085563	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"542000"	242.137813	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"933327"	92.033313	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"276258"	335.178402	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"667588"	485.282902	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1284365"	185.073902	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"21457"	337.157606	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"465392"	487.262106	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"842102"	187.053106	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1568870"	187.053106	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"954199"	195.102694	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"369499"	345.207201	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"358852"	359.222851	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1506591"	209.118351	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"969755"	217.084651	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"121943"	185.073902	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"559318"	260.126152	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1030304"	110.021652	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1256964"	229.023385	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1314517"	231.079372	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1333107"	253.061329	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"924165"	263.090086	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1300874"	299.066764	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1380130"	115.091824	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1391067"	133.1018	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"289660"	301.216276	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"685365"	451.320776	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1356614"	151.111776	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H"	1.007276
"130231"	151.111776	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"570156"	226.164026	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1043694"	76.059526	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"214148"	101.076942666667	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"654803"	151.111776	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1175119"	51.0421093333333	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"434017"	318.242823	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"796104"	468.347323	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1696815"	168.138323	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"345546"	159.6250495	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"730953"	234.6772995	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1479306"	84.5727995	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"400177"	323.198218	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"761172"	473.302718	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1613647"	173.093718	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"323683"	162.102747	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"711733"	237.154997	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1466644"	87.050497	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1055516"	58.3694233333333	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1261569"	183.137986	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"385612"	339.172158	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"749888"	489.276658	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1549753"	189.067658	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+K"	38.963158
"311303"	170.089717	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"701539"	245.141967	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1454266"	95.037467	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"240682"	342.242826	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1219951"	192.138326	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1196909"	96.572801	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"198893"	345.18016	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"637362"	495.28466	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1145243"	195.07566	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"178687"	173.093718	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"621894"	248.145968	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1121028"	98.041468	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1413543"	65.6967373333333	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1438487"	197.117246	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"230372"	178.12674	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1522807"	211.16929	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"424090"	181.080688	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"785592"	256.132938	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1677641"	106.028438	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"261982"	364.224768	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1237970"	214.120268	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1725760"	214.143793	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1192207"	73.0240513333333	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1664291"	219.099188	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"172001"	377.12804	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"611806"	527.23254	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1091945"	227.02354	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"154228"	189.067658	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"589412"	264.119908	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1072831"	114.015408	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1100935"	229.038092	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1343518"	229.125707	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1015332"	233.164876	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1532361"	234.158508	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"997716"	117.086076	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1595501"	235.073128	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1420070"	265.104638	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1150356"	137.599351	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1699909"	282.131185	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1634469"	287.08658	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1576684"	303.06052	"C17062"	"Safranal"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"807054"	210.1494	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M"	0
"974873"	191.13101	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-H2O-H"	-19.01839
"66641"	139.092324	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M-3H"	-3.021828
"508390"	209.142124	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M-3H"	-3.021828
"886192"	69.042524	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-3H"	-3.021828
"878"	209.142124	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M-2H"	-2.014552
"446515"	314.216824	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M-2H"	-2.014552
"817503"	104.067424	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-2H"	-2.014552
"81020"	419.291524	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M-H"	-1.007276
"520219"	629.440924	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M-H"	-1.007276
"896198"	209.142124	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-H"	-1.007276
"51672"	436.318071	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M-2H+NH4"	16.019271
"501689"	646.467471	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M-2H+NH4"	16.019271
"873413"	226.168671	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-2H+NH4"	16.019271
"42407"	441.273466	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M-2H+Na"	20.974666
"476502"	651.422866	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M-2H+Na"	20.974666
"855395"	231.124066	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-2H+Na"	20.974666
"1622742"	231.124066	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Na-2H"	20.974666
"101457"	227.130463	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M-H+Cl"	33.962126
"546482"	332.205163	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M-H+Cl"	33.962126
"932345"	122.055763	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-H+Cl"	33.962126
"273089"	455.268202	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+Cl"	34.969402
"663691"	665.417602	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+Cl"	34.969402
"1276093"	245.118802	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Cl"	34.969402
"19380"	457.247406	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M-2H+K"	36.948606
"460034"	667.396806	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M-2H+K"	36.948606
"843303"	247.098006	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-2H+K"	36.948606
"1563513"	247.098006	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+K-2H"	36.948606
"953220"	255.147594	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-H+HCOOH"	44.998194
"368881"	465.297001	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+HCOOH-H"	44.998201
"355684"	479.312651	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+Hac-H"	59.013851
"1506336"	269.163251	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Hac-H"	59.013851
"971326"	277.129551	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-H+NaCOOH"	66.980151
"123152"	245.118802	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+2Cl"	69.938804
"558334"	350.193502	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+2Cl"	69.938804
"1027134"	140.044102	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2Cl"	69.938804
"1245618"	289.068285	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Br"	78.918885
"1309162"	291.124272	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Cl+HCOOH"	80.974872
"1322284"	313.106229	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Cl+NaCOOH"	102.956829
"913707"	323.134986	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M-H+CF3COOH"	112.985586
"1289038"	359.111664	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Cl+CF3COOH"	148.962264
"1369309"	175.136724	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H-2H2O"	-35.012676
"1391180"	193.1467	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H-H2O"	-17.0027
"295242"	421.306076	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+H"	1.007276
"680008"	631.455476	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+H"	1.007276
"1360730"	211.156676	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H"	1.007276
"128519"	211.156676	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+2H"	2.014552
"568078"	316.231376	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+2H"	2.014552
"1043076"	106.081976	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2H"	2.014552
"212070"	141.106876	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+3H"	3.021828
"652723"	211.156676	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+3H"	3.021828
"1171948"	71.057076	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+3H"	3.021828
"431940"	438.332623	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+NH4"	18.033823
"794029"	648.482023	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+NH4"	18.033823
"1690359"	228.183223	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+NH4"	18.033823
"343380"	219.6699495	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+H+NH4"	19.041099
"733255"	324.7446495	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+H+NH4"	19.041099
"1484886"	114.5952495	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H+NH4"	19.041099
"395180"	443.288018	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+Na"	22.989218
"755201"	653.437418	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+Na"	22.989218
"1607191"	233.138618	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Na"	22.989218
"319414"	222.147647	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+H+Na"	23.996494
"709651"	327.222347	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+H+Na"	23.996494
"1463471"	117.072947	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H+Na"	23.996494
"1057810"	78.38439	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2H+Na"	25.00377
"1259853"	243.182886	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+CH3OH+H"	33.033486
"379523"	459.261958	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+K"	38.963158
"739423"	669.411358	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+K"	38.963158
"1545488"	249.112558	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+K"	38.963158
"304854"	230.134617	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+H+K"	39.970434
"701649"	335.209317	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+H+K"	39.970434
"1453285"	125.059917	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H+K"	39.970434
"242977"	462.332626	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+ACN+H"	42.033826
"1216780"	252.183226	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+ACN+H"	42.033826
"1200664"	126.595251	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+ACN+2H"	43.041102
"196817"	465.26996	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+2Na-H"	44.97116
"640752"	675.41936	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+2Na-H"	44.97116
"1145233"	255.12056	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2Na-H"	44.97116
"183173"	233.138618	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+2Na"	45.978436
"620547"	338.213318	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+2Na"	45.978436
"1124054"	128.063918	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2Na"	45.978436
"1413046"	85.711704	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H+2Na"	46.985712
"1444432"	257.162146	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H+HCOOH"	47.012746
"233398"	238.17164	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+3H2O+2H"	56.04448
"1523609"	271.21419	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+IsoProp+H"	61.06479
"423701"	241.125588	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+Na+K"	61.952376
"783602"	346.200288	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+Na+K"	61.952376
"1674481"	136.050888	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Na+K"	61.952376
"259908"	484.314568	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+ACN+Na"	64.015768
"1239175"	274.165168	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+ACN+Na"	64.015768
"1726964"	274.188693	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+NH4+HCOOH"	64.039293
"1194022"	93.039018	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+3Na"	68.967654
"1662214"	279.144088	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Na+HCOOH"	68.994688
"170167"	497.21784	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+2K-H"	76.91904
"607542"	707.36724	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+2K-H"	76.91904
"1095333"	287.06844	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2K-H"	76.91904
"151058"	249.112558	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"2M+2K"	77.926316
"590616"	354.187258	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"3M+2K"	77.926316
"1079503"	144.037858	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2K"	77.926316
"1113686"	289.082992	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2K+H"	78.933592
"1348005"	289.170607	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+DMSO+H"	79.021207
"1018720"	293.209776	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2ACN+H"	83.060376
"1528098"	294.203408	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+IsoProp+Na+H"	84.054008
"996734"	147.108526	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+2ACN+2H"	84.067652
"1592329"	295.118028	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+K+HCOOH"	84.968628
"1416533"	325.149538	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+H+CF3COOH"	115.000138
"1159218"	167.621801	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+3ACN+2H"	125.094202
"1710957"	342.176085	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+NH4+CF3COOH"	132.026685
"1636766"	347.13148	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+Na+CF3COOH"	136.98208
"1576794"	363.10542	"C17063"	"Salicifoline"	"C12H20NO2"	"210.1494"	"M+K+CF3COOH"	152.95602
"810444"	432.2148	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M"	0
"977416"	413.19641	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-H2O-H"	-19.01839
"66752"	287.135924	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M-3H"	-3.021828
"510687"	431.207524	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M-3H"	-3.021828
"882293"	143.064324	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-3H"	-3.021828
"988"	431.207524	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M-2H"	-2.014552
"445532"	647.314924	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M-2H"	-2.014552
"819314"	215.100124	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-2H"	-2.014552
"81494"	863.422324	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M-H"	-1.007276
"521423"	1295.637124	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M-H"	-1.007276
"897883"	431.207524	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-H"	-1.007276
"51782"	880.448871	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M-2H+NH4"	16.019271
"500705"	1312.663671	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M-2H+NH4"	16.019271
"873523"	448.234071	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-2H+NH4"	16.019271
"42517"	885.404266	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M-2H+Na"	20.974666
"477705"	1317.619066	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M-2H+Na"	20.974666
"855505"	453.189466	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-2H+Na"	20.974666
"1620665"	453.189466	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Na-2H"	20.974666
"99378"	449.195863	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M-H+Cl"	33.962126
"546592"	665.303263	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M-H+Cl"	33.962126
"932454"	233.088463	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-H+Cl"	33.962126
"268826"	899.399002	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+Cl"	34.969402
"664530"	1331.613802	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+Cl"	34.969402
"1275840"	467.184202	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Cl"	34.969402
"18397"	901.378206	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M-2H+K"	36.948606
"460144"	1333.593006	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M-2H+K"	36.948606
"842320"	469.163406	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-2H+K"	36.948606
"1565810"	469.163406	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+K-2H"	36.948606
"953694"	477.212994	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-H+HCOOH"	44.998194
"371907"	909.427801	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+HCOOH-H"	44.998201
"358709"	923.443451	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+Hac-H"	59.013851
"1506810"	491.228651	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Hac-H"	59.013851
"969978"	499.194951	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-H+NaCOOH"	66.980151
"123991"	467.184202	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+2Cl"	69.938804
"558444"	683.291602	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+2Cl"	69.938804
"1027244"	251.076802	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2Cl"	69.938804
"1246821"	511.133685	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Br"	78.918885
"1305992"	513.189672	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Cl+HCOOH"	80.974872
"1322393"	535.171629	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Cl+NaCOOH"	102.956829
"913816"	545.200386	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M-H+CF3COOH"	112.985586
"1289068"	581.177064	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Cl+CF3COOH"	148.962264
"1368326"	397.202124	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H-2H2O"	-35.012676
"1388010"	415.2121	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H-H2O"	-17.0027
"292072"	865.436876	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+H"	1.007276
"676837"	1297.651676	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+H"	1.007276
"1357561"	433.222076	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H"	1.007276
"127532"	433.222076	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+2H"	2.014552
"567093"	649.329476	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+2H"	2.014552
"1039538"	217.114676	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2H"	2.014552
"212179"	289.150476	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+3H"	3.021828
"653926"	433.222076	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+3H"	3.021828
"1170962"	145.078876	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+3H"	3.021828
"430956"	882.463423	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+NH4"	18.033823
"791950"	1314.678223	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+NH4"	18.033823
"1688281"	450.248623	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+NH4"	18.033823
"339842"	441.7353495	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+H+NH4"	19.041099
"732270"	657.8427495	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+H+NH4"	19.041099
"1488272"	225.6279495	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H+NH4"	19.041099
"400395"	887.418818	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+Na"	22.989218
"757016"	1319.633618	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+Na"	22.989218
"1607302"	455.204018	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Na"	22.989218
"319525"	444.213047	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+H+Na"	23.996494
"709761"	660.320447	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+H+Na"	23.996494
"1467955"	228.105647	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H+Na"	23.996494
"1059014"	152.40619	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2H+Na"	25.00377
"1262879"	465.248286	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+CH3OH+H"	33.033486
"381457"	903.392758	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+K"	38.963158
"739535"	1335.607558	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+K"	38.963158
"1546691"	471.177958	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+K"	38.963158
"308245"	452.200017	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+H+K"	39.970434
"702489"	668.307417	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+H+K"	39.970434
"1455581"	236.092617	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H+K"	39.970434
"243087"	906.463426	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+ACN+H"	42.033826
"1216890"	474.248626	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+ACN+H"	42.033826
"1200045"	237.627951	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+ACN+2H"	43.041102
"195833"	909.40076	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+2Na-H"	44.97116
"640862"	1341.61556	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+2Na-H"	44.97116
"1144370"	477.18596	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2Na-H"	44.97116
"181096"	455.204018	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+2Na"	45.978436
"621750"	671.311418	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+2Na"	45.978436
"1124164"	239.096618	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2Na"	45.978436
"1412795"	159.733504	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H+2Na"	46.985712
"1442358"	479.227546	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H+HCOOH"	47.012746
"232781"	460.23704	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+3H2O+2H"	56.04448
"1522667"	493.27959	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+IsoProp+H"	61.06479
"421626"	463.190988	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+Na+K"	61.952376
"782618"	679.298388	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+Na+K"	61.952376
"1677870"	247.083588	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Na+K"	61.952376
"264389"	928.445368	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+ACN+Na"	64.015768
"1240014"	496.230568	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+ACN+Na"	64.015768
"1724887"	496.254093	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+NH4+HCOOH"	64.039293
"1191335"	167.060818	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+3Na"	68.967654
"1664510"	501.209488	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Na+HCOOH"	68.994688
"168093"	941.34864	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+2K-H"	76.91904
"607652"	1373.56344	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+2K-H"	76.91904
"1096536"	509.13384	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2K-H"	76.91904
"151171"	471.177958	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"2M+2K"	77.926316
"590727"	687.285358	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"3M+2K"	77.926316
"1079616"	255.070558	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2K"	77.926316
"1113796"	511.148392	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2K+H"	78.933592
"1349088"	511.236007	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+DMSO+H"	79.021207
"1017738"	515.275176	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2ACN+H"	83.060376
"1531488"	516.268808	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+IsoProp+Na+H"	84.054008
"996844"	258.141226	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+2ACN+2H"	84.067652
"1592439"	517.183428	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+K+HCOOH"	84.968628
"1416643"	547.214938	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+H+CF3COOH"	115.000138
"1159328"	278.654501	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+3ACN+2H"	125.094202
"1712283"	564.241485	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+NH4+CF3COOH"	132.026685
"1636876"	569.19688	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+Na+CF3COOH"	136.98208
"1576904"	585.17082	"C17064"	"Schizandrin"	"C24H32O7"	"432.2148"	"M+K+CF3COOH"	152.95602
"812741"	204.1878	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M"	0
"975339"	185.16941	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"63214"	135.117924	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"504600"	203.180524	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880458"	67.055324	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"3165"	203.180524	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"446735"	305.274424	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"818696"	101.086624	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"80023"	407.368324	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519586"	611.556124	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"897026"	203.180524	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"52256"	424.394871	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499479"	628.582671	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"872542"	220.207071	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37161"	429.350266	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"474536"	633.538066	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"855616"	225.162466	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620775"	225.162466	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97303"	221.168863	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"547676"	323.262763	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931471"	119.074963	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"270029"	443.345002	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664640"	647.532802	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1275950"	239.157202	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"18508"	445.324206	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"457458"	649.512006	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"841335"	241.136406	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1563733"	241.136406	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953804"	249.185994	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"369833"	453.373801	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353717"	467.389451	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1503642"	263.201651	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967902"	271.167951	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"118995"	239.157202	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"556368"	341.251102	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1028448"	137.063302	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1249120"	283.106685	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1312662"	285.162672	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1323596"	307.144629	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"911782"	317.173386	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1289541"	353.150064	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1368799"	169.175124	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1388120"	187.1851	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"293276"	409.382876	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"679135"	613.570676	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1352689"	205.195076	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H"	1.007276
"126666"	205.195076	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"566390"	307.288976	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1043297"	103.101176	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206456"	137.132476	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"648933"	205.195076	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1166702"	69.069876	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431068"	426.409423	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799717"	630.597223	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691675"	222.221623	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"344328"	213.7083495	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"735656"	315.8022495	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1489479"	111.6144495	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"399412"	431.364818	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"759314"	635.552618	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1608508"	227.177018	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"319636"	216.186047	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"712058"	318.279947	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1466972"	114.092147	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1061311"	76.39719	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1262260"	237.221286	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379744"	447.338758	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"744748"	651.526558	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1547895"	243.150958	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+K"	38.963158
"309813"	224.173017	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704786"	326.266917	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1457149"	122.079117	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"244291"	450.409426	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1221376"	246.221626	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1201978"	123.614451	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"198859"	453.34676	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"637692"	657.53456	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1144481"	249.15896	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"181206"	227.177018	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"620767"	329.270918	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1120994"	125.083118	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1407797"	83.724504	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1439916"	251.200546	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230340"	232.21004	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522048"	265.25259	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"422465"	235.163988	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"780906"	337.257888	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1677980"	133.070088	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"263406"	472.391368	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1239394"	268.203568	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1727065"	268.227093	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190351"	91.051818	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1662431"	273.182488	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"168201"	485.29464	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"604483"	689.48244	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1092276"	281.10684	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"149090"	243.150958	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"589743"	345.244858	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1076444"	141.057058	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1113908"	283.121392	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347133"	283.209007	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1015661"	287.248176	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1527224"	288.241808	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"996954"	144.127726	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1589635"	289.156428	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1421493"	319.187938	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1159438"	164.641001	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1712395"	336.214485	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1636258"	341.16988	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1577014"	357.14382	"C17065"	"Sesquicarene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"816133"	392.1319	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M"	0
"977636"	373.11351	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-H2O-H"	-19.01839
"70251"	260.413990666667	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M-3H"	-3.021828
"510906"	391.124624	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M-3H"	-3.021828
"882148"	129.703357333333	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-3H"	-3.021828
"2911"	391.124624	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M-2H"	-2.014552
"443565"	587.190574	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M-2H"	-2.014552
"822453"	195.058674	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-2H"	-2.014552
"80621"	783.256524	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M-H"	-1.007276
"522735"	1175.388424	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M-H"	-1.007276
"900174"	391.124624	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-H"	-1.007276
"51271"	800.283071	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M-2H+NH4"	16.019271
"501290"	1192.414971	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M-2H+NH4"	16.019271
"876905"	408.151171	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-2H+NH4"	16.019271
"45292"	805.238466	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M-2H+Na"	20.974666
"483393"	1197.370366	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M-2H+Na"	20.974666
"856819"	413.106566	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-2H+Na"	20.974666
"1624165"	413.106566	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Na-2H"	20.974666
"100693"	409.112963	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M-H+Cl"	33.962126
"548273"	605.178913	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M-H+Cl"	33.962126
"939234"	213.047013	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-H+Cl"	33.962126
"275606"	819.233202	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+Cl"	34.969402
"668030"	1211.365102	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+Cl"	34.969402
"1279340"	427.101302	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Cl"	34.969402
"20805"	821.212406	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M-2H+K"	36.948606
"459271"	1213.344306	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M-2H+K"	36.948606
"843632"	429.080506	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-2H+K"	36.948606
"1564934"	429.080506	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+K-2H"	36.948606
"955008"	437.130094	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-H+HCOOH"	44.998194
"371036"	829.262001	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+HCOOH-H"	44.998201
"352733"	843.277651	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+Hac-H"	59.013851
"1503752"	451.145751	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Hac-H"	59.013851
"966919"	459.112051	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-H+NaCOOH"	66.980151
"119105"	427.101302	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+2Cl"	69.938804
"557572"	623.167252	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+2Cl"	69.938804
"1027464"	231.035352	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2Cl"	69.938804
"1249228"	471.050785	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Br"	78.918885
"1316053"	473.106772	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Cl+HCOOH"	80.974872
"1326987"	495.088729	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Cl+NaCOOH"	102.956829
"918043"	505.117486	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M-H+CF3COOH"	112.985586
"1292930"	541.094164	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Cl+CF3COOH"	148.962264
"1368300"	357.119224	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H-2H2O"	-35.012676
"1388229"	375.1292	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H-H2O"	-17.0027
"295573"	785.271076	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+H"	1.007276
"680338"	1177.402976	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+H"	1.007276
"1355958"	393.139176	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H"	1.007276
"130670"	393.139176	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+2H"	2.014552
"571689"	589.205126	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+2H"	2.014552
"1044501"	197.073226	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2H"	2.014552
"212401"	262.428542666667	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+3H"	3.021828
"651962"	393.139176	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+3H"	3.021828
"1166081"	131.717909333333	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+3H"	3.021828
"428260"	802.297623	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+NH4"	18.033823
"793267"	1194.429523	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+NH4"	18.033823
"1689598"	410.165723	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+NH4"	18.033823
"344803"	401.6524495	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+H+NH4"	19.041099
"735765"	597.7183995	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+H+NH4"	19.041099
"1491775"	205.5864995	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H+NH4"	19.041099
"403896"	807.253018	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+Na"	22.989218
"763797"	1199.384918	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+Na"	22.989218
"1611898"	415.121118	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Na"	22.989218
"321934"	404.130147	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+H+Na"	23.996494
"718730"	600.196097	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+H+Na"	23.996494
"1474009"	208.064197	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H+Na"	23.996494
"1065795"	139.045223333333	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2H+Na"	25.00377
"1270391"	425.165386	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+CH3OH+H"	33.033486
"391883"	823.226958	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+K"	38.963158
"751419"	1215.358858	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+K"	38.963158
"1553838"	431.095058	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+K"	38.963158
"307371"	412.117117	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+H+K"	39.970434
"704897"	608.183067	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+H+K"	39.970434
"1457258"	216.051167	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H+K"	39.970434
"245493"	826.297626	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+ACN+H"	42.033826
"1220392"	434.165726	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+ACN+H"	42.033826
"1203182"	217.586501	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+ACN+2H"	43.041102
"196783"	829.23496	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+2Na-H"	44.97116
"641082"	1221.36686	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+2Na-H"	44.97116
"1143497"	437.10306	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2Na-H"	44.97116
"183503"	415.121118	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+2Na"	45.978436
"624157"	611.187068	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+2Na"	45.978436
"1125476"	219.055168	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2Na"	45.978436
"1407907"	146.372537333333	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H+2Na"	46.985712
"1440023"	439.144646	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H+HCOOH"	47.012746
"231905"	420.15414	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+3H2O+2H"	56.04448
"1522158"	453.19669	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+IsoProp+H"	61.06479
"418201"	423.108088	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+Na+K"	61.952376
"782109"	619.174038	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+Na+K"	61.952376
"1670438"	227.042138	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Na+K"	61.952376
"259144"	848.279568	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+ACN+Na"	64.015768
"1231853"	456.147668	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+ACN+Na"	64.015768
"1722924"	456.171193	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+NH4+HCOOH"	64.039293
"1189368"	153.699851333333	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+3Na"	68.967654
"1661448"	461.126588	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Na+HCOOH"	68.994688
"165033"	861.18284	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+2K-H"	76.91904
"602041"	1253.31474	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+2K-H"	76.91904
"1093480"	469.05094	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2K-H"	76.91904
"150293"	431.095058	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"2M+2K"	77.926316
"587670"	627.161008	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"3M+2K"	77.926316
"1077646"	235.029108	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2K"	77.926316
"1111584"	471.065492	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2K+H"	78.933592
"1347242"	471.153107	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+DMSO+H"	79.021207
"1017592"	475.192276	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2ACN+H"	83.060376
"1526605"	476.185908	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+IsoProp+Na+H"	84.054008
"995971"	238.099776	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+2ACN+2H"	84.067652
"1589381"	477.100528	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+K+HCOOH"	84.968628
"1421603"	507.132038	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+H+CF3COOH"	115.000138
"1160641"	258.613051	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+3ACN+2H"	125.094202
"1712504"	524.158585	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+NH4+CF3COOH"	132.026685
"1636368"	529.11398	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+Na+CF3COOH"	136.98208
"1577124"	545.08792	"C17066"	"Shanzhiside"	"C16H24O11"	"392.1319"	"M+K+CF3COOH"	152.95602
"816243"	472.3553	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M"	0
"981026"	453.33691	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-H2O-H"	-19.01839
"66351"	313.896257333333	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M-3H"	-3.021828
"511016"	471.348024	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M-3H"	-3.021828
"883352"	156.444490666667	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-3H"	-3.021828
"6301"	471.348024	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H"	-2.014552
"445862"	707.525674	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H"	-2.014552
"818554"	235.170374	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H"	-2.014552
"80731"	943.703324	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M-H"	-1.007276
"520294"	1416.058624	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M-H"	-1.007276
"898462"	471.348024	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-H"	-1.007276
"50289"	960.729871	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H+NH4"	16.019271
"502622"	1433.085171	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H+NH4"	16.019271
"879366"	488.374571	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H+NH4"	16.019271
"46745"	965.685266	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H+Na"	20.974666
"486505"	1438.040566	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H+Na"	20.974666
"855836"	493.329966	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H+Na"	20.974666
"1624275"	493.329966	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na-2H"	20.974666
"100803"	489.336363	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M-H+Cl"	33.962126
"547896"	725.514013	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M-H+Cl"	33.962126
"939344"	253.158713	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+Cl"	33.962126
"275716"	979.680002	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Cl"	34.969402
"670327"	1452.035302	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+Cl"	34.969402
"1281637"	507.324702	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl"	34.969402
"24195"	981.659206	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H+K"	36.948606
"461568"	1454.014506	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H+K"	36.948606
"844836"	509.303906	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H+K"	36.948606
"1566137"	509.303906	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+K-2H"	36.948606
"954024"	517.353494	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+HCOOH"	44.998194
"370051"	989.708801	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+HCOOH-H"	44.998201
"352843"	1003.724451	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Hac-H"	59.013851
"1502769"	531.369151	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Hac-H"	59.013851
"968122"	539.335451	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+NaCOOH"	66.980151
"119215"	507.324702	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2Cl"	69.938804
"558775"	743.502352	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2Cl"	69.938804
"1027574"	271.147052	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2Cl"	69.938804
"1249338"	551.274185	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Br"	78.918885
"1313976"	553.330172	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl+HCOOH"	80.974872
"1327097"	575.312129	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl+NaCOOH"	102.956829
"917424"	585.340886	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+CF3COOH"	112.985586
"1292676"	621.317564	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl+CF3COOH"	148.962264
"1367561"	437.342624	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H-2H2O"	-35.012676
"1388339"	455.3526	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H-H2O"	-17.0027
"295683"	945.717876	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H"	1.007276
"680448"	1418.073176	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H"	1.007276
"1355704"	473.362576	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H"	1.007276
"127132"	473.362576	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2H"	2.014552
"568516"	709.540226	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2H"	2.014552
"1043515"	237.184926	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2H"	2.014552
"213604"	315.910809333333	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+3H"	3.021828
"649885"	473.362576	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+3H"	3.021828
"1166188"	158.459042666667	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+3H"	3.021828
"427273"	962.744423	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+NH4"	18.033823
"789724"	1435.099723	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+NH4"	18.033823
"1682776"	490.389123	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+NH4"	18.033823
"336892"	481.8758495	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H+NH4"	19.041099
"729313"	718.0534995	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H+NH4"	19.041099
"1490427"	245.6981995	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+NH4"	19.041099
"401820"	967.699818	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Na"	22.989218
"760627"	1440.055118	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+Na"	22.989218
"1607634"	495.344518	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na"	22.989218
"322043"	484.353547	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H+Na"	23.996494
"717745"	720.531197	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H+Na"	23.996494
"1472659"	248.175897	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+Na"	23.996494
"1061530"	165.786356666667	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2H+Na"	25.00377
"1269772"	505.388786	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+CH3OH+H"	33.033486
"385067"	983.673758	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+K"	38.963158
"748249"	1456.029058	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+K"	38.963158
"1553584"	511.318458	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+K"	38.963158
"307480"	492.340517	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H+K"	39.970434
"702819"	728.518167	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H+K"	39.970434
"1452631"	256.162867	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+K"	39.970434
"244509"	986.744426	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+ACN+H"	42.033826
"1217221"	514.389126	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+ACN+H"	42.033826
"1198188"	257.698201	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+ACN+2H"	43.041102
"194704"	989.68176	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2Na-H"	44.97116
"640098"	1462.03706	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2Na-H"	44.97116
"1145427"	517.32646	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2Na-H"	44.97116
"180697"	495.344518	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2Na"	45.978436
"618799"	731.522168	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2Na"	45.978436
"1121576"	259.166868	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2Na"	45.978436
"1410204"	173.113670666667	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+2Na"	46.985712
"1440133"	519.368046	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+HCOOH"	47.012746
"229828"	500.37754	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+3H2O+2H"	56.04448
"1521172"	533.42009	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+H"	61.06479
"417578"	503.331488	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Na+K"	61.952376
"776383"	739.509138	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+Na+K"	61.952376
"1671641"	267.153838	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na+K"	61.952376
"257066"	1008.726368	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+ACN+Na"	64.015768
"1234874"	536.371068	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+ACN+Na"	64.015768
"1721939"	536.394593	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+NH4+HCOOH"	64.039293
"1187287"	180.440984666667	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+3Na"	68.967654
"1658276"	541.349988	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na+HCOOH"	68.994688
"165141"	1021.62964	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2K-H"	76.91904
"604702"	1493.98494	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2K-H"	76.91904
"1095776"	549.27434	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2K-H"	76.91904
"149313"	511.318458	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2K"	77.926316
"592154"	747.496108	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2K"	77.926316
"1071193"	275.140808	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2K"	77.926316
"1109873"	551.288892	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2K+H"	78.933592
"1345165"	551.376507	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+DMSO+H"	79.021207
"1015882"	555.415676	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2ACN+H"	83.060376
"1526714"	556.409308	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+Na+H"	84.054008
"990978"	278.211476	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+2ACN+2H"	84.067652
"1587787"	557.323928	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+K+HCOOH"	84.968628
"1420620"	587.355438	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+CF3COOH"	115.000138
"1157471"	298.724751	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+3ACN+2H"	125.094202
"1708116"	604.381985	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+NH4+CF3COOH"	132.026685
"1636475"	609.33738	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na+CF3COOH"	136.98208
"1575046"	625.31132	"C17067"	"Siaresinol;Siaresinolic acid"	"C30H48O4"	"472.3553"	"M+K+CF3COOH"	152.95602
"815989"	462.2101	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M"	0
"984416"	443.19171	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-H2O-H"	-19.01839
"65004"	307.132790666667	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M-3H"	-3.021828
"511126"	461.202824	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M-3H"	-3.021828
"882369"	153.062757333333	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-3H"	-3.021828
"3130"	461.202824	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M-2H"	-2.014552
"443783"	692.307874	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M-2H"	-2.014552
"818663"	230.097774	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-2H"	-2.014552
"81205"	923.412924	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M-H"	-1.007276
"520279"	1385.623024	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M-H"	-1.007276
"896506"	461.202824	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-H"	-1.007276
"49306"	940.439471	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M-2H+NH4"	16.019271
"502606"	1402.649571	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M-2H+NH4"	16.019271
"879433"	478.229371	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-2H+NH4"	16.019271
"45874"	945.394866	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M-2H+Na"	20.974666
"484706"	1407.604966	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M-2H+Na"	20.974666
"855946"	483.184766	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-2H+Na"	20.974666
"1624385"	483.184766	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Na-2H"	20.974666
"102006"	479.191163	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M-H+Cl"	33.962126
"548127"	710.296213	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M-H+Cl"	33.962126
"938361"	248.086113	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-H+Cl"	33.962126
"278013"	959.389602	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+Cl"	34.969402
"670437"	1421.599702	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+Cl"	34.969402
"1281748"	497.179502	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Cl"	34.969402
"23212"	961.368806	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M-2H+K"	36.948606
"463865"	1423.578906	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M-2H+K"	36.948606
"843854"	499.158706	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-2H+K"	36.948606
"1565154"	499.158706	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+K-2H"	36.948606
"951948"	507.208294	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-H+HCOOH"	44.998194
"369796"	969.418401	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+HCOOH-H"	44.998201
"350766"	983.434051	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+Hac-H"	59.013851
"1498504"	521.223951	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Hac-H"	59.013851
"964952"	529.190251	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-H+NaCOOH"	66.980151
"118233"	497.179502	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+2Cl"	69.938804
"557790"	728.284552	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+2Cl"	69.938804
"1029871"	266.074452	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2Cl"	69.938804
"1249449"	541.128985	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Br"	78.918885
"1315179"	543.184972	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Cl+HCOOH"	80.974872
"1328300"	565.166929	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Cl+NaCOOH"	102.956829
"917171"	575.195686	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M-H+CF3COOH"	112.985586
"1293878"	611.172364	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Cl+CF3COOH"	148.962264
"1368764"	427.197424	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H-2H2O"	-35.012676
"1388449"	445.2074	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H-H2O"	-17.0027
"294700"	925.427476	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+H"	1.007276
"680558"	1387.637576	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+H"	1.007276
"1355814"	463.217376	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H"	1.007276
"130158"	463.217376	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+2H"	2.014552
"570446"	694.322426	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+2H"	2.014552
"1039614"	232.112326	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2H"	2.014552
"211525"	309.147342666667	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+3H"	3.021828
"652179"	463.217376	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+3H"	3.021828
"1168120"	155.077309333333	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+3H"	3.021828
"425926"	942.454023	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+NH4"	18.033823
"789470"	1404.664123	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+NH4"	18.033823
"1683250"	480.243923	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+NH4"	18.033823
"337002"	471.7306495	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+H+NH4"	19.041099
"728330"	702.8356995	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+H+NH4"	19.041099
"1488714"	240.6255995	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H+NH4"	19.041099
"401931"	947.409418	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+Na"	22.989218
"760738"	1409.619518	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+Na"	22.989218
"1608838"	485.199318	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Na"	22.989218
"322153"	474.208347	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+H+Na"	23.996494
"717855"	705.313397	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+H+Na"	23.996494
"1474958"	243.103297	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H+Na"	23.996494
"1061640"	162.404623333333	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2H+Na"	25.00377
"1271707"	495.243586	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+CH3OH+H"	33.033486
"386269"	963.383358	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+K"	38.963158
"748359"	1425.593458	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+K"	38.963158
"1554421"	501.173258	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+K"	38.963158
"307590"	482.195317	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+H+K"	39.970434
"703658"	713.300367	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+H+K"	39.970434
"1454928"	251.090267	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H+K"	39.970434
"245712"	966.454026	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+ACN+H"	42.033826
"1217331"	504.243926	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+ACN+H"	42.033826
"1199026"	252.625601	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+ACN+2H"	43.041102
"192263"	969.39136	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+2Na-H"	44.97116
"640208"	1431.60146	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+2Na-H"	44.97116
"1144080"	507.18126	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2Na-H"	44.97116
"180443"	485.199318	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+2Na"	45.978436
"617815"	716.304368	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+2Na"	45.978436
"1121322"	254.094268	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2Na"	45.978436
"1409586"	169.731937333333	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H+2Na"	46.985712
"1440243"	509.222846	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H+HCOOH"	47.012746
"231031"	490.23234	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+3H2O+2H"	56.04448
"1519826"	523.27489	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+IsoProp+H"	61.06479
"417688"	493.186288	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+Na+K"	61.952376
"776493"	724.291338	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+Na+K"	61.952376
"1675030"	262.081238	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Na+K"	61.952376
"259361"	988.435968	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+ACN+Na"	64.015768
"1234985"	526.225868	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+ACN+Na"	64.015768
"1723871"	526.249393	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+NH4+HCOOH"	64.039293
"1186304"	177.059251333333	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+3Na"	68.967654
"1657293"	531.204788	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Na+HCOOH"	68.994688
"165614"	1001.33924	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+2K-H"	76.91904
"606998"	1463.54934	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+2K-H"	76.91904
"1091511"	539.12914	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2K-H"	76.91904
"151608"	501.173258	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"2M+2K"	77.926316
"591171"	732.278308	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"3M+2K"	77.926316
"1081150"	270.068208	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2K"	77.926316
"1109982"	541.143692	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2K+H"	78.933592
"1344181"	541.231307	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+DMSO+H"	79.021207
"1013803"	545.270476	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2ACN+H"	83.060376
"1530835"	546.264108	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+IsoProp+Na+H"	84.054008
"991087"	273.138876	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+2ACN+2H"	84.067652
"1588506"	547.178728	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+K+HCOOH"	84.968628
"1417450"	577.210238	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+H+CF3COOH"	115.000138
"1154301"	293.652151	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+3ACN+2H"	125.094202
"1704946"	594.236785	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+NH4+CF3COOH"	132.026685
"1635856"	599.19218	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+Na+CF3COOH"	136.98208
"1575156"	615.16612	"C17068"	"Valerosidatum;Valerosidate"	"C21H34O11"	"462.2101"	"M+K+CF3COOH"	152.95602
"816343"	264.1838	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M"	0
"981246"	245.16541	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-H2O-H"	-19.01839
"70582"	175.115257333333	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M-3H"	-3.021828
"512332"	263.176524	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M-3H"	-3.021828
"883573"	87.0539906666667	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-3H"	-3.021828
"6521"	263.176524	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M-2H"	-2.014552
"440613"	395.268424	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M-2H"	-2.014552
"818166"	131.084624	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-2H"	-2.014552
"81679"	527.360324	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M-H"	-1.007276
"520512"	791.544124	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M-H"	-1.007276
"897584"	263.176524	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-H"	-1.007276
"48685"	544.386871	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M-2H+NH4"	16.019271
"501500"	808.570671	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M-2H+NH4"	16.019271
"877354"	280.203071	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-2H+NH4"	16.019271
"46227"	549.342266	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M-2H+Na"	20.974666
"484452"	813.526066	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M-2H+Na"	20.974666
"862616"	285.158466	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-2H+Na"	20.974666
"1626682"	285.158466	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Na-2H"	20.974666
"99931"	281.164863	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M-H+Cl"	33.962126
"538395"	413.256763	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M-H+Cl"	33.962126
"930818"	149.072963	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-H+Cl"	33.962126
"274843"	563.337002	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+Cl"	34.969402
"668360"	827.520802	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+Cl"	34.969402
"1285139"	299.153202	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Cl"	34.969402
"25510"	565.316206	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M-2H+K"	36.948606
"466163"	829.500006	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M-2H+K"	36.948606
"845059"	301.132406	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-2H+K"	36.948606
"1566360"	301.132406	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+K-2H"	36.948606
"949870"	309.181994	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-H+HCOOH"	44.998194
"370269"	573.365801	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+HCOOH-H"	44.998201
"353062"	587.381451	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+Hac-H"	59.013851
"1500799"	323.197651	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Hac-H"	59.013851
"966155"	331.163951	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-H+NaCOOH"	66.980151
"118343"	299.153202	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+2Cl"	69.938804
"560086"	431.245102	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+2Cl"	69.938804
"1027792"	167.061302	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2Cl"	69.938804
"1251745"	343.102685	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Br"	78.918885
"1316382"	345.158672	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Cl+HCOOH"	80.974872
"1327317"	367.140629	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Cl+NaCOOH"	102.956829
"918373"	377.169386	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M-H+CF3COOH"	112.985586
"1292894"	413.146064	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Cl+CF3COOH"	148.962264
"1369967"	229.171124	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H-2H2O"	-35.012676
"1388559"	247.1811	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H-H2O"	-17.0027
"293717"	529.374876	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+H"	1.007276
"680668"	793.558676	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+H"	1.007276
"1355924"	265.191076	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H"	1.007276
"129904"	265.191076	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+2H"	2.014552
"569826"	397.282976	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+2H"	2.014552
"1041545"	133.099176	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2H"	2.014552
"210542"	177.129809333333	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+3H"	3.021828
"652289"	265.191076	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+3H"	3.021828
"1167501"	89.0685426666667	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+3H"	3.021828
"428220"	546.401423	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+NH4"	18.033823
"790673"	810.585223	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+NH4"	18.033823
"1683725"	282.217623	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+NH4"	18.033823
"337112"	273.7043495	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+H+NH4"	19.041099
"728440"	405.7962495	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+H+NH4"	19.041099
"1486638"	141.6124495	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H+NH4"	19.041099
"397664"	551.356818	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+Na"	22.989218
"755381"	815.540618	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+Na"	22.989218
"1605667"	287.173018	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Na"	22.989218
"317890"	276.182047	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+H+Na"	23.996494
"713592"	408.273947	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+H+Na"	23.996494
"1468505"	144.090147	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H+Na"	23.996494
"1060657"	96.3958566666667	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2H+Na"	25.00377
"1270238"	297.217286	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+CH3OH+H"	33.033486
"383099"	567.330758	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+K"	38.963158
"745189"	831.514558	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+K"	38.963158
"1551980"	303.146958	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+K"	38.963158
"307699"	284.169017	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+H+K"	39.970434
"702309"	416.260917	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+H+K"	39.970434
"1452849"	152.077117	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H+K"	39.970434
"239263"	570.401426	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+ACN+H"	42.033826
"1218532"	306.217626	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+ACN+H"	42.033826
"1197315"	153.612451	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+ACN+2H"	43.041102
"190914"	573.33876	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+2Na-H"	44.97116
"631203"	837.52256	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+2Na-H"	44.97116
"1139448"	309.15496	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2Na-H"	44.97116
"186142"	287.173018	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+2Na"	45.978436
"616103"	419.264918	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+2Na"	45.978436
"1119970"	155.081118	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2Na"	45.978436
"1401676"	103.723170666667	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H+2Na"	46.985712
"1433791"	311.196546	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H+HCOOH"	47.012746
"227861"	292.20604	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+3H2O+2H"	56.04448
"1517018"	325.24859	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+H"	61.06479
"417798"	295.159988	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+Na+K"	61.952376
"776602"	427.251888	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+Na+K"	61.952376
"1676962"	163.068088	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Na+K"	61.952376
"262751"	592.383368	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+ACN+Na"	64.015768
"1236918"	328.199568	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+ACN+Na"	64.015768
"1725074"	328.223093	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+NH4+HCOOH"	64.039293
"1185321"	111.050484666667	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+3Na"	68.967654
"1657403"	333.178488	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Na+HCOOH"	68.994688
"166453"	605.28664	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+2K-H"	76.91904
"606014"	869.47044	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+2K-H"	76.91904
"1092714"	341.10284	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2K-H"	76.91904
"152811"	303.146958	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"2M+2K"	77.926316
"594561"	435.238858	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"3M+2K"	77.926316
"1080166"	171.055058	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2K"	77.926316
"1110092"	343.117392	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2K+H"	78.933592
"1345384"	343.205007	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+DMSO+H"	79.021207
"1015007"	347.244176	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2ACN+H"	83.060376
"1532039"	348.237808	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+Na+H"	84.054008
"993022"	174.125726	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+2ACN+2H"	84.067652
"1587319"	349.152428	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+K+HCOOH"	84.968628
"1420840"	379.183938	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+H+CF3COOH"	115.000138
"1154411"	194.639001	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+3ACN+2H"	125.094202
"1706149"	396.210485	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+NH4+CF3COOH"	132.026685
"1634872"	401.16588	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+Na+CF3COOH"	136.98208
"1575266"	417.13982	"C17069"	"Sophoranol;5-Hydroxymatrine"	"C15H24N2O2"	"264.1838"	"M+K+CF3COOH"	152.95602
"811104"	472.3553	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M"	0
"981356"	453.33691	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-H2O-H"	-19.01839
"70692"	313.896257333333	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M-3H"	-3.021828
"512441"	471.348024	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M-3H"	-3.021828
"883683"	156.444490666667	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-3H"	-3.021828
"4444"	471.348024	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H"	-2.014552
"440723"	707.525674	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H"	-2.014552
"818520"	235.170374	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H"	-2.014552
"79967"	943.703324	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M-H"	-1.007276
"520623"	1416.058624	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M-H"	-1.007276
"896965"	471.348024	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-H"	-1.007276
"48795"	960.729871	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H+NH4"	16.019271
"496380"	1433.085171	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H+NH4"	16.019271
"876737"	488.374571	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H+NH4"	16.019271
"45001"	965.685266	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H+Na"	20.974666
"485291"	1438.040566	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H+Na"	20.974666
"861998"	493.329966	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H+Na"	20.974666
"1626792"	493.329966	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na-2H"	20.974666
"100041"	489.336363	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M-H+Cl"	33.962126
"537411"	725.514013	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M-H+Cl"	33.962126
"930927"	253.158713	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+Cl"	33.962126
"273859"	979.680002	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Cl"	34.969402
"669563"	1452.035302	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+Cl"	34.969402
"1283063"	507.324702	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl"	34.969402
"26713"	981.659206	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M-2H+K"	36.948606
"465180"	1454.014506	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M-2H+K"	36.948606
"844075"	509.303906	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-2H+K"	36.948606
"1564285"	509.303906	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+K-2H"	36.948606
"948887"	517.353494	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+HCOOH"	44.998194
"368193"	989.708801	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+HCOOH-H"	44.998201
"353172"	1003.724451	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Hac-H"	59.013851
"1500909"	531.369151	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Hac-H"	59.013851
"962986"	539.335451	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+NaCOOH"	66.980151
"117359"	507.324702	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2Cl"	69.938804
"561291"	743.502352	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2Cl"	69.938804
"1030089"	271.147052	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2Cl"	69.938804
"1250761"	551.274185	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Br"	78.918885
"1316491"	553.330172	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl+HCOOH"	80.974872
"1328521"	575.312129	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl+NaCOOH"	102.956829
"916298"	585.340886	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M-H+CF3COOH"	112.985586
"1294099"	621.317564	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Cl+CF3COOH"	148.962264
"1368984"	437.342624	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H-2H2O"	-35.012676
"1388669"	455.3526	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H-H2O"	-17.0027
"294920"	945.717876	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H"	1.007276
"681872"	1418.073176	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H"	1.007276
"1359314"	473.362576	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H"	1.007276
"130014"	473.362576	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2H"	2.014552
"569208"	709.540226	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2H"	2.014552
"1039099"	237.184926	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2H"	2.014552
"208462"	315.910809333333	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+3H"	3.021828
"646562"	473.362576	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+3H"	3.021828
"1169429"	158.459042666667	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+3H"	3.021828
"430514"	962.744423	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+NH4"	18.033823
"790421"	1435.099723	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+NH4"	18.033823
"1685294"	490.389123	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+NH4"	18.033823
"337222"	481.8758495	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H+NH4"	19.041099
"728551"	718.0534995	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H+NH4"	19.041099
"1484563"	245.6981995	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+NH4"	19.041099
"399962"	967.699818	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Na"	22.989218
"758771"	1440.055118	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+Na"	22.989218
"1605048"	495.344518	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na"	22.989218
"316907"	484.353547	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H+Na"	23.996494
"714795"	720.531197	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H+Na"	23.996494
"1468617"	248.175897	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+Na"	23.996494
"1060766"	165.786356666667	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2H+Na"	25.00377
"1267917"	505.388786	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+CH3OH+H"	33.033486
"385396"	983.673758	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+K"	38.963158
"743111"	1456.029058	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+K"	38.963158
"1550630"	511.318458	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+K"	38.963158
"304529"	492.340517	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+H+K"	39.970434
"702056"	728.518167	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+H+K"	39.970434
"1450773"	256.162867	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+K"	39.970434
"237550"	986.744426	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+ACN+H"	42.033826
"1213539"	514.389126	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+ACN+H"	42.033826
"1196330"	257.698201	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+ACN+2H"	43.041102
"191753"	989.68176	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2Na-H"	44.97116
"632043"	1462.03706	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2Na-H"	44.97116
"1139558"	517.32646	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2Na-H"	44.97116
"182849"	495.344518	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2Na"	45.978436
"616210"	731.522168	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2Na"	45.978436
"1121538"	259.166868	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2Na"	45.978436
"1402878"	173.113670666667	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+2Na"	46.985712
"1434993"	519.368046	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+HCOOH"	47.012746
"224691"	500.37754	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+3H2O+2H"	56.04448
"1514941"	533.42009	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+H"	61.06479
"413534"	503.331488	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+Na+K"	61.952376
"774889"	739.509138	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+Na+K"	61.952376
"1677072"	267.153838	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na+K"	61.952376
"260675"	1008.726368	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+ACN+Na"	64.015768
"1238121"	536.371068	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+ACN+Na"	64.015768
"1725548"	536.394593	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+NH4+HCOOH"	64.039293
"1183244"	180.440984666667	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+3Na"	68.967654
"1656420"	541.349988	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na+HCOOH"	68.994688
"166563"	1021.62964	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2K-H"	76.91904
"605030"	1493.98494	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2K-H"	76.91904
"1092824"	549.27434	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2K-H"	76.91904
"152920"	511.318458	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"2M+2K"	77.926316
"590297"	747.496108	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"3M+2K"	77.926316
"1076995"	275.140808	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2K"	77.926316
"1108014"	551.288892	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2K+H"	78.933592
"1342213"	551.376507	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+DMSO+H"	79.021207
"1014024"	555.415676	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2ACN+H"	83.060376
"1529963"	556.409308	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+IsoProp+Na+H"	84.054008
"993132"	278.211476	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+2ACN+2H"	84.067652
"1587228"	557.323928	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+K+HCOOH"	84.968628
"1420950"	587.355438	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+H+CF3COOH"	115.000138
"1155614"	298.724751	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+3ACN+2H"	125.094202
"1707352"	604.381985	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+NH4+CF3COOH"	132.026685
"1634618"	609.33738	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+Na+CF3COOH"	136.98208
"1573553"	625.31132	"C17070"	"Sumaresinol;Sumaresinolic acid"	"C30H48O4"	"472.3553"	"M+K+CF3COOH"	152.95602
"815224"	358.1264	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M"	0
"988028"	339.10801	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-H2O-H"	-19.01839
"78425"	237.743657333333	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M-3H"	-3.021828
"511458"	357.119124	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M-3H"	-3.021828
"887074"	118.368190666667	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-3H"	-3.021828
"6741"	357.119124	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M-2H"	-2.014552
"448487"	536.182324	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M-2H"	-2.014552
"820819"	178.055924	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-2H"	-2.014552
"81537"	715.245524	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M-H"	-1.007276
"521827"	1073.371924	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M-H"	-1.007276
"898292"	357.119124	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-H"	-1.007276
"49263"	732.272071	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M-2H+NH4"	16.019271
"496490"	1090.398471	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M-2H+NH4"	16.019271
"878667"	374.145671	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-2H+NH4"	16.019271
"45841"	737.227466	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M-2H+Na"	20.974666
"485648"	1095.353866	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M-2H+Na"	20.974666
"862472"	379.101066	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-2H+Na"	20.974666
"1632856"	379.101066	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Na-2H"	20.974666
"106348"	375.107463	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M-H+Cl"	33.962126
"540802"	554.170663	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M-H+Cl"	33.962126
"931037"	196.044263	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-H+Cl"	33.962126
"270688"	751.222202	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+Cl"	34.969402
"668580"	1109.348602	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+Cl"	34.969402
"1280987"	393.095802	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Cl"	34.969402
"30104"	753.201406	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M-2H+K"	36.948606
"468572"	1111.327806	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M-2H+K"	36.948606
"846372"	395.075006	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-2H+K"	36.948606
"1566582"	395.075006	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+K-2H"	36.948606
"948997"	403.124594	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-H+HCOOH"	44.998194
"368307"	761.251001	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+HCOOH-H"	44.998201
"355470"	775.266651	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+Hac-H"	59.013851
"1501019"	417.140251	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Hac-H"	59.013851
"969657"	425.106551	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-H+NaCOOH"	66.980151
"120750"	393.095802	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+2Cl"	69.938804
"561402"	572.159002	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+2Cl"	69.938804
"1032390"	214.032602	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2Cl"	69.938804
"1254155"	437.045285	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Br"	78.918885
"1315507"	439.101272	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Cl+HCOOH"	80.974872
"1331909"	461.083229	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Cl+NaCOOH"	102.956829
"913129"	471.111986	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M-H+CF3COOH"	112.985586
"1290204"	507.088664	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Cl+CF3COOH"	148.962264
"1378939"	323.113724	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H-2H2O"	-35.012676
"1389874"	341.1237	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H-H2O"	-17.0027
"292842"	717.260076	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+H"	1.007276
"683076"	1075.386476	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+H"	1.007276
"1360518"	359.133676	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H"	1.007276
"132313"	359.133676	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+2H"	2.014552
"570779"	538.196876	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+2H"	2.014552
"1041765"	180.070476	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2H"	2.014552
"209300"	239.758209333333	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+3H"	3.021828
"651418"	359.133676	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+3H"	3.021828
"1172824"	120.382742666667	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+3H"	3.021828
"432817"	734.286623	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+NH4"	18.033823
"794903"	1092.413023	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+NH4"	18.033823
"1687955"	376.160223	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+NH4"	18.033823
"341709"	367.6469495	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+H+NH4"	19.041099
"735590"	546.7101495	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+H+NH4"	19.041099
"1490137"	188.5837495	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H+NH4"	19.041099
"401168"	739.242018	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+Na"	22.989218
"759977"	1097.368418	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+Na"	22.989218
"1608075"	381.115618	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Na"	22.989218
"321393"	370.124647	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+H+Na"	23.996494
"716000"	549.187847	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+H+Na"	23.996494
"1469820"	191.061447	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H+Na"	23.996494
"1059784"	127.710056666667	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2H+Na"	25.00377
"1271307"	391.159886	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+CH3OH+H"	33.033486
"388789"	755.215958	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+K"	38.963158
"749785"	1113.342358	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+K"	38.963158
"1546370"	397.089558	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+K"	38.963158
"306827"	378.111617	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+H+K"	39.970434
"703622"	557.174817	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+H+K"	39.970434
"1454162"	199.048417	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H+K"	39.970434
"238390"	758.286626	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+ACN+H"	42.033826
"1213287"	400.160226	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+ACN+H"	42.033826
"1196803"	200.583751	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+ACN+2H"	43.041102
"192226"	761.22396	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+2Na-H"	44.97116
"636161"	1119.35036	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+2Na-H"	44.97116
"1133836"	403.09756	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2Na-H"	44.97116
"179678"	381.115618	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+2Na"	45.978436
"618145"	560.178818	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+2Na"	45.978436
"1120557"	202.052418	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2Na"	45.978436
"1400800"	135.037370666667	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H+2Na"	46.985712
"1432917"	405.139146	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H+HCOOH"	47.012746
"223338"	386.14864	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+3H2O+2H"	56.04448
"1515049"	419.19119	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+IsoProp+H"	61.06479
"413641"	389.102588	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+Na+K"	61.952376
"772447"	568.165788	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+Na+K"	61.952376
"1677547"	210.039388	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Na+K"	61.952376
"262971"	780.268568	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+ACN+Na"	64.015768
"1239326"	422.142168	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+ACN+Na"	64.015768
"1727481"	422.165693	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+NH4+HCOOH"	64.039293
"1186635"	142.364684666667	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+3Na"	68.967654
"1659811"	427.121088	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Na+HCOOH"	68.994688
"167766"	793.17184	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+2K-H"	76.91904
"607326"	1151.29824	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+2K-H"	76.91904
"1095118"	435.04544	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2K-H"	76.91904
"153029"	397.089558	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"2M+2K"	77.926316
"592590"	576.152758	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"3M+2K"	77.926316
"1081477"	218.026358	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2K"	77.926316
"1112498"	437.059992	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2K+H"	78.933592
"1343416"	437.147607	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+DMSO+H"	79.021207
"1011946"	441.186776	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2ACN+H"	83.060376
"1530073"	442.180408	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+IsoProp+Na+H"	84.054008
"999801"	221.097026	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+2ACN+2H"	84.067652
"1600865"	443.095028	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+K+HCOOH"	84.968628
"1424340"	473.126538	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+H+CF3COOH"	115.000138
"1157912"	241.610301	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+3ACN+2H"	125.094202
"1709649"	490.153085	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+NH4+CF3COOH"	132.026685
"1637642"	495.10848	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+Na+CF3COOH"	136.98208
"1573299"	511.08242	"C17071"	"Sweroside"	"C16H22O9"	"358.1264"	"M+K+CF3COOH"	152.95602
"811323"	402.2406	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M"	0
"981575"	383.22221	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-H2O-H"	-19.01839
"70912"	267.153124	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M-3H"	-3.021828
"511567"	401.233324	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M-3H"	-3.021828
"886089"	133.072924	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-3H"	-3.021828
"5757"	401.233324	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M-2H"	-2.014552
"447503"	602.353624	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M-2H"	-2.014552
"818499"	200.113024	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-2H"	-2.014552
"80919"	803.473924	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M-H"	-1.007276
"522305"	1205.714524	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M-H"	-1.007276
"898647"	401.233324	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-H"	-1.007276
"49496"	820.500471	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M-2H+NH4"	16.019271
"494412"	1222.741071	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M-2H+NH4"	16.019271
"876590"	418.259871	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-2H+NH4"	16.019271
"41210"	825.455866	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M-2H+Na"	20.974666
"486849"	1227.696466	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M-2H+Na"	20.974666
"862945"	423.215266	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-2H+Na"	20.974666
"1629928"	423.215266	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Na-2H"	20.974666
"103542"	419.221663	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M-H+Cl"	33.962126
"537995"	620.341963	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M-H+Cl"	33.962126
"931149"	218.101363	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-H+Cl"	33.962126
"275172"	839.450602	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+Cl"	34.969402
"668690"	1241.691202	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+Cl"	34.969402
"1284378"	437.210002	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Cl"	34.969402
"28028"	841.429806	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M-2H+K"	36.948606
"466497"	1243.670406	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M-2H+K"	36.948606
"847211"	439.189206	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-2H+K"	36.948606
"1567785"	439.189206	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+K-2H"	36.948606
"951294"	447.238794	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-H+HCOOH"	44.998194
"370605"	849.479401	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+HCOOH-H"	44.998201
"357768"	863.495051	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+Hac-H"	59.013851
"1504412"	461.254451	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Hac-H"	59.013851
"973048"	469.220751	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-H+NaCOOH"	66.980151
"124142"	437.210002	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+2Cl"	69.938804
"563699"	638.330302	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+2Cl"	69.938804
"1033596"	236.089702	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2Cl"	69.938804
"1255360"	481.159485	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Br"	78.918885
"1317806"	483.215472	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Cl+HCOOH"	80.974872
"1332019"	505.197429	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Cl+NaCOOH"	102.956829
"916518"	515.226186	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M-H+CF3COOH"	112.985586
"1291407"	551.202864	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Cl+CF3COOH"	148.962264
"1376862"	367.227924	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H-2H2O"	-35.012676
"1392169"	385.2379	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H-H2O"	-17.0027
"295142"	805.488476	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+H"	1.007276
"688290"	1207.729076	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+H"	1.007276
"1361722"	403.247876	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H"	1.007276
"135704"	403.247876	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+2H"	2.014552
"575263"	604.368176	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+2H"	2.014552
"1045157"	202.127576	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2H"	2.014552
"211965"	269.167676	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+3H"	3.021828
"654808"	403.247876	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+3H"	3.021828
"1174027"	135.087476	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+3H"	3.021828
"434020"	822.515023	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+NH4"	18.033823
"792829"	1224.755623	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+NH4"	18.033823
"1689161"	420.274423	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+NH4"	18.033823
"340726"	411.7611495	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+H+NH4"	19.041099
"734243"	612.8814495	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+H+NH4"	19.041099
"1489157"	210.6408495	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H+NH4"	19.041099
"399088"	827.470418	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+Na"	22.989218
"761181"	1229.711018	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+Na"	22.989218
"1613656"	425.229818	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Na"	22.989218
"323692"	414.238847	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+H+Na"	23.996494
"716112"	615.359147	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+H+Na"	23.996494
"1471027"	213.118547	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H+Na"	23.996494
"1064272"	142.41479	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2H+Na"	25.00377
"1265950"	435.274086	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+CH3OH+H"	33.033486
"386712"	843.444358	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+K"	38.963158
"748802"	1245.684958	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+K"	38.963158
"1553041"	441.203758	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+K"	38.963158
"311311"	422.225817	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+H+K"	39.970434
"700454"	623.346117	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+H+K"	39.970434
"1456461"	221.105517	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H+K"	39.970434
"238131"	846.515026	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+ACN+H"	42.033826
"1212668"	444.274426	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+ACN+H"	42.033826
"1197278"	222.640851	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+ACN+2H"	43.041102
"193431"	849.45236	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+2Na-H"	44.97116
"632991"	1251.69296	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+2Na-H"	44.97116
"1135039"	447.21176	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2Na-H"	44.97116
"177602"	425.229818	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+2Na"	45.978436
"615340"	626.350118	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+2Na"	45.978436
"1118484"	224.109518	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2Na"	45.978436
"1404191"	149.742104	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H+2Na"	46.985712
"1434119"	449.253346	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H+HCOOH"	47.012746
"223448"	430.26284	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+3H2O+2H"	56.04448
"1511149"	463.30539	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+IsoProp+H"	61.06479
"412657"	433.216788	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+Na+K"	61.952376
"774742"	634.337088	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+Na+K"	61.952376
"1675472"	232.096488	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Na+K"	61.952376
"263081"	868.496968	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+ACN+Na"	64.015768
"1235789"	466.256368	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+ACN+Na"	64.015768
"1724313"	466.279893	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+NH4+HCOOH"	64.039293
"1187837"	157.069418	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+3Na"	68.967654
"1659921"	471.235288	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Na+HCOOH"	68.994688
"165689"	881.40024	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+2K-H"	76.91904
"606342"	1283.64084	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+2K-H"	76.91904
"1095229"	479.15964	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2K-H"	76.91904
"150952"	441.203758	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"2M+2K"	77.926316
"590513"	642.324058	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"3M+2K"	77.926316
"1077212"	240.083458	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2K"	77.926316
"1109327"	481.174192	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2K+H"	78.933592
"1343526"	481.261807	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+DMSO+H"	79.021207
"1015335"	485.300976	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2ACN+H"	83.060376
"1534555"	486.294608	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+IsoProp+Na+H"	84.054008
"997724"	243.154126	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+2ACN+2H"	84.067652
"1595507"	487.209228	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+K+HCOOH"	84.968628
"1421168"	517.240738	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+H+CF3COOH"	115.000138
"1155832"	263.667401	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+3ACN+2H"	125.094202
"1703197"	534.267285	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+NH4+CF3COOH"	132.026685
"1635929"	539.22268	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+Na+CF3COOH"	136.98208
"1572315"	555.19662	"C17072"	"Telocinobufagin"	"C24H34O5"	"402.2406"	"M+K+CF3COOH"	152.95602
"813620"	154.1358	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M"	0
"981685"	135.11741	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"71021"	101.749924	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"511676"	153.128524	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"887293"	50.371324	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"3680"	153.128524	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"444332"	230.196424	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"818242"	76.060624	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"80665"	307.264324	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"521686"	461.400124	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"897662"	153.128524	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"48759"	324.290871	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"496709"	478.426671	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"873419"	170.155071	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"41320"	329.246266	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"481974"	483.382066	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"863056"	175.110466	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1630404"	175.110466	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"104746"	171.116863	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"541024"	248.184763	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"934540"	94.048963	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"274189"	343.241002	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"670987"	497.376802	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1281207"	189.105202	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"28138"	345.220206	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"468428"	499.356006	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"844409"	191.084406	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1564616"	191.084406	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"951406"	199.133994	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"366702"	353.269801	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"354595"	367.285451	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1504523"	213.149651	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"970971"	221.115951	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"119877"	189.105202	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"560531"	266.173102	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1035892"	112.037302	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1251095"	233.054685	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1313541"	235.110672	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1332129"	257.092629	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"914442"	267.121386	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1289692"	303.098064	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1378065"	119.123124	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1386447"	137.1331	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"294155"	309.278876	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"685482"	463.414676	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1361832"	155.143076	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"134721"	155.143076	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"575373"	232.210976	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1045267"	78.075176	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"207700"	103.764476	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"653825"	155.143076	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1170855"	52.385876	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"435224"	326.305423	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"791846"	480.441223	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1685991"	172.169623	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"340836"	163.6563495	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"734355"	240.7242495	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1488174"	86.5884495	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"399199"	331.260818	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"762385"	485.396618	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1613766"	177.125018	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"323802"	166.134047	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"719503"	243.201947	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1475511"	89.066147	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1066569"	59.71319	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1266060"	187.169286	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"386822"	347.234758	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"748913"	501.370558	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1550965"	193.098958	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"308142"	174.121017	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"697283"	251.188917	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1454382"	97.053117	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"236661"	350.305426	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1211318"	196.169626	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1196293"	98.588451	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"190621"	353.24276	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"631279"	507.37856	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1132960"	199.10696	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"175523"	177.125018	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"618368"	254.192918	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1120780"	100.057118	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1401021"	67.040504	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1433136"	201.148546	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"222830"	182.15804	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1511989"	215.20059	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"413861"	185.111988	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"772666"	262.179888	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1676671"	108.044088	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"261003"	372.287368	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1236994"	218.151568	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1719314"	218.175093	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1186854"	74.367818	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1660031"	223.130488	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"165799"	385.19064	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"606452"	539.32644	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1097526"	231.05484	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"148875"	193.098958	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"590623"	270.166858	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1077323"	116.031058	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1107250"	233.069392	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1343636"	233.157007	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1014350"	237.196176	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1532480"	238.189808	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"996741"	119.101726	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1592700"	239.104428	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1420186"	269.135938	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1150475"	139.615001	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1706588"	286.162485	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1635679"	291.11788	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1572425"	307.09182	"C17073"	"Terpineol-4;Terpinen-4-ol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"814823"	578.3819	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M"	0
"981795"	559.36351	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-H2O-H"	-19.01839
"70038"	384.580657333333	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M-3H"	-3.021828
"510693"	577.374624	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M-3H"	-3.021828
"890320"	191.786690666667	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-3H"	-3.021828
"7070"	577.374624	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M-2H"	-2.014552
"446629"	866.565574	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M-2H"	-2.014552
"818234"	288.183674	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-2H"	-2.014552
"80046"	1155.756524	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M-H"	-1.007276
"520704"	1734.138424	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M-H"	-1.007276
"898506"	577.374624	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-H"	-1.007276
"47899"	1172.783071	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M-2H+NH4"	16.019271
"490987"	1751.164971	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M-2H+NH4"	16.019271
"873529"	594.401171	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-2H+NH4"	16.019271
"41429"	1177.738466	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M-2H+Na"	20.974666
"482083"	1756.120366	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M-2H+Na"	20.974666
"856605"	599.356566	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-2H+Na"	20.974666
"1623951"	599.356566	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Na-2H"	20.974666
"107041"	595.362963	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M-H+Cl"	33.962126
"537855"	884.553913	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M-H+Cl"	33.962126
"941941"	306.172013	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-H+Cl"	33.962126
"275394"	1191.733202	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+Cl"	34.969402
"671097"	1770.115102	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+Cl"	34.969402
"1287957"	613.351302	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Cl"	34.969402
"26062"	1193.712406	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M-2H+K"	36.948606
"467807"	1772.094306	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M-2H+K"	36.948606
"842332"	615.330506	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-2H+K"	36.948606
"1563632"	615.330506	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+K-2H"	36.948606
"951516"	623.380094	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-H+HCOOH"	44.998194
"370823"	1201.762001	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+HCOOH-H"	44.998201
"351426"	1215.777651	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+Hac-H"	59.013851
"1507551"	637.395751	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Hac-H"	59.013851
"971081"	645.362051	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-H+NaCOOH"	66.980151
"116707"	613.351302	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+2Cl"	69.938804
"559548"	902.542252	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+2Cl"	69.938804
"1032722"	324.160352	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2Cl"	69.938804
"1253390"	657.300785	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Br"	78.918885
"1311464"	659.356772	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Cl+HCOOH"	80.974872
"1328959"	681.338729	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Cl+NaCOOH"	102.956829
"911636"	691.367486	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M-H+CF3COOH"	112.985586
"1290533"	727.344164	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Cl+CF3COOH"	148.962264
"1377082"	543.369224	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H-2H2O"	-35.012676
"1386557"	561.3792	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H-H2O"	-17.0027
"286974"	1157.771076	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+H"	1.007276
"680124"	1736.152976	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+H"	1.007276
"1358661"	579.389176	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H"	1.007276
"133737"	579.389176	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+2H"	2.014552
"574390"	868.580126	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+2H"	2.014552
"1043191"	290.198226	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2H"	2.014552
"207810"	386.595209333333	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+3H"	3.021828
"650653"	579.389176	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+3H"	3.021828
"1170965"	193.801242666667	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+3H"	3.021828
"433146"	1174.797623	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+NH4"	18.033823
"790862"	1753.179523	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+NH4"	18.033823
"1683914"	596.415723	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+NH4"	18.033823
"336570"	587.9024495	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+H+NH4"	19.041099
"734464"	877.0933995	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+H+NH4"	19.041099
"1490470"	298.7114995	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H+NH4"	19.041099
"400403"	1179.753018	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+Na"	22.989218
"763587"	1758.134918	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+Na"	22.989218
"1614969"	601.371118	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Na"	22.989218
"325005"	590.380147	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+H+Na"	23.996494
"721073"	879.571097	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+H+Na"	23.996494
"1475500"	301.189197	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H+Na"	23.996494
"1065586"	201.128556666667	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2H+Na"	25.00377
"1266170"	611.415386	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+CH3OH+H"	33.033486
"386932"	1195.726958	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+K"	38.963158
"749024"	1774.108858	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+K"	38.963158
"1551075"	617.345058	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+K"	38.963158
"309345"	598.367117	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+H+K"	39.970434
"699580"	887.558067	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+H+K"	39.970434
"1455585"	309.176167	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H+K"	39.970434
"236166"	1198.797626	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+ACN+H"	42.033826
"1212524"	620.415726	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+ACN+H"	42.033826
"1195674"	310.711501	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+ACN+2H"	43.041102
"192557"	1201.73496	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+2Na-H"	44.97116
"632118"	1780.11686	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+2Na-H"	44.97116
"1133436"	623.35306	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2Na-H"	44.97116
"174905"	601.371118	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+2Na"	45.978436
"617384"	890.562068	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+2Na"	45.978436
"1121983"	312.180168	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2Na"	45.978436
"1398740"	208.455870666667	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H+2Na"	46.985712
"1431423"	625.394646	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H+HCOOH"	47.012746
"222941"	606.40414	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+3H2O+2H"	56.04448
"1509912"	639.44669	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+IsoProp+H"	61.06479
"412877"	609.358088	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+Na+K"	61.952376
"773505"	898.549038	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+Na+K"	61.952376
"1676781"	320.167138	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Na+K"	61.952376
"260020"	1220.779568	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+ACN+Na"	64.015768
"1238197"	642.397668	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+ACN+Na"	64.015768
"1723799"	642.421193	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+NH4+HCOOH"	64.039293
"1192435"	215.783184666667	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+3Na"	68.967654
"1656860"	647.376588	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Na+HCOOH"	68.994688
"159469"	1233.68284	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+2K-H"	76.91904
"605469"	1812.06474	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+2K-H"	76.91904
"1094356"	655.30094	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2K-H"	76.91904
"150080"	617.345058	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"2M+2K"	77.926316
"588546"	906.536008	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"3M+2K"	77.926316
"1074153"	328.154108	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2K"	77.926316
"1108452"	657.315492	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2K+H"	78.933592
"1345932"	657.403107	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+DMSO+H"	79.021207
"1011182"	661.442276	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2ACN+H"	83.060376
"1531497"	662.435908	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+IsoProp+Na+H"	84.054008
"997944"	331.224776	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+2ACN+2H"	84.067652
"1593542"	663.350528	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+K+HCOOH"	84.968628
"1420296"	693.382038	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+H+CF3COOH"	115.000138
"1149492"	351.738051	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+3ACN+2H"	125.094202
"1705605"	710.408585	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+NH4+CF3COOH"	132.026685
"1634171"	715.36398	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+Na+CF3COOH"	136.98208
"1574722"	731.33792	"C17074"	"Timosaponin A-I"	"C33H54O8"	"578.3819"	"M+K+CF3COOH"	152.95602
"812747"	740.4347	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M"	0
"984092"	721.41631	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-H2O-H"	-19.01839
"71242"	492.615857333333	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M-3H"	-3.021828
"514083"	739.427424	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M-3H"	-3.021828
"892617"	245.804290666667	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-3H"	-3.021828
"10461"	739.427424	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M-2H"	-2.014552
"450020"	1109.644774	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M-2H"	-2.014552
"821262"	369.210074	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-2H"	-2.014552
"80522"	1479.862124	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M-H"	-1.007276
"519715"	2220.296824	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M-H"	-1.007276
"896552"	739.427424	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-H"	-1.007276
"51899"	1496.888671	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M-2H+NH4"	16.019271
"490733"	2237.323371	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M-2H+NH4"	16.019271
"873639"	756.453971	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-2H+NH4"	16.019271
"40446"	1501.844066	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M-2H+Na"	20.974666
"482193"	2242.278766	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M-2H+Na"	20.974666
"863276"	761.409366	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-2H+Na"	20.974666
"1629528"	761.409366	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Na-2H"	20.974666
"107151"	757.415763	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M-H+Cl"	33.962126
"539058"	1127.633113	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M-H+Cl"	33.962126
"939138"	387.198413	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-H+Cl"	33.962126
"279878"	1515.838802	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+Cl"	34.969402
"672301"	2256.273502	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+Cl"	34.969402
"1284706"	775.404102	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Cl"	34.969402
"25077"	1517.818006	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M-2H+K"	36.948606
"465730"	2258.252706	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M-2H+K"	36.948606
"844629"	777.383306	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-2H+K"	36.948606
"1564836"	777.383306	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+K-2H"	36.948606
"951625"	785.432894	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-H+HCOOH"	44.998194
"369113"	1525.867601	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+HCOOH-H"	44.998201
"352994"	1539.883251	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+Hac-H"	59.013851
"1503651"	799.448551	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Hac-H"	59.013851
"967909"	807.414851	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-H+NaCOOH"	66.980151
"119003"	775.404102	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+2Cl"	69.938804
"559658"	1145.621452	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+2Cl"	69.938804
"1034291"	405.186752	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2Cl"	69.938804
"1245847"	819.353585	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Br"	78.918885
"1308294"	821.409572	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Cl+HCOOH"	80.974872
"1324696"	843.391529	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Cl+NaCOOH"	102.956829
"911618"	853.420286	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M-H+CF3COOH"	112.985586
"1289181"	889.396964	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Cl+CF3COOH"	148.962264
"1372087"	705.422024	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H-2H2O"	-35.012676
"1386670"	723.432	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H-H2O"	-17.0027
"291095"	1481.876676	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+H"	1.007276
"678046"	2222.311376	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+H"	1.007276
"1358775"	741.441976	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H"	1.007276
"133851"	741.441976	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+2H"	2.014552
"574505"	1111.659326	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+2H"	2.014552
"1042212"	371.224626	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2H"	2.014552
"211205"	494.630409333333	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+3H"	3.021828
"651862"	741.441976	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+3H"	3.021828
"1172173"	247.818842666667	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+3H"	3.021828
"432164"	1498.903223	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+NH4"	18.033823
"790971"	2239.337923	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+NH4"	18.033823
"1685117"	758.468523	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+NH4"	18.033823
"338866"	749.9552495	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+H+NH4"	19.041099
"734575"	1120.1725995	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+H+NH4"	19.041099
"1491674"	379.7378995	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H+NH4"	19.041099
"403793"	1503.858618	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+Na"	22.989218
"765883"	2244.293318	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+Na"	22.989218
"1612892"	763.423918	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Na"	22.989218
"326209"	752.432947	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+H+Na"	23.996494
"721304"	1122.650297	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+H+Na"	23.996494
"1476464"	382.215597	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H+Na"	23.996494
"1068006"	255.146156666667	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2H+Na"	25.00377
"1265187"	773.468186	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+CH3OH+H"	33.033486
"390322"	1519.832558	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+K"	38.963158
"749134"	2260.267258	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+K"	38.963158
"1547906"	779.397858	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+K"	38.963158
"308363"	760.419917	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+H+K"	39.970434
"699689"	1130.637267	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+H+K"	39.970434
"1453508"	390.202567	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H+K"	39.970434
"236275"	1522.903226	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+ACN+H"	42.033826
"1212026"	782.468526	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+ACN+H"	42.033826
"1197242"	391.737901	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+ACN+2H"	43.041102
"193759"	1525.84056	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+2Na-H"	44.97116
"631132"	2266.27526	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+2Na-H"	44.97116
"1134273"	785.40586	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2Na-H"	44.97116
"175742"	763.423918	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+2Na"	45.978436
"614938"	1133.641268	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+2Na"	45.978436
"1122823"	393.206568	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2Na"	45.978436
"1402335"	262.473470666667	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H+2Na"	46.985712
"1433357"	787.447446	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H+HCOOH"	47.012746
"226332"	768.45694	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+3H2O+2H"	56.04448
"1510022"	801.49949	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+IsoProp+H"	61.06479
"410801"	771.410888	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+Na+K"	61.952376
"773615"	1141.628238	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+Na+K"	61.952376
"1674702"	401.193538	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Na+K"	61.952376
"259034"	1544.885168	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+ACN+Na"	64.015768
"1233931"	804.450468	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+ACN+Na"	64.015768
"1720628"	804.473993	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+NH4+HCOOH"	64.039293
"1187078"	269.800784666667	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+3Na"	68.967654
"1656970"	809.429388	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Na+HCOOH"	68.994688
"163833"	1557.78844	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+2K-H"	76.91904
"606673"	2298.22314	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+2K-H"	76.91904
"1094466"	817.35374	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2K-H"	76.91904
"146910"	779.397858	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"2M+2K"	77.926316
"586470"	1149.615208	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"3M+2K"	77.926316
"1079730"	409.180508	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2K"	77.926316
"1108563"	819.368292	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2K+H"	78.933592
"1347137"	819.455907	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+DMSO+H"	79.021207
"1013479"	823.495076	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2ACN+H"	83.060376
"1532698"	824.488708	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+IsoProp+Na+H"	84.054008
"998054"	412.251176	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+2ACN+2H"	84.067652
"1595839"	825.403328	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+K+HCOOH"	84.968628
"1423685"	855.434838	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+H+CF3COOH"	115.000138
"1149600"	432.764451	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+3ACN+2H"	125.094202
"1703527"	872.461385	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+NH4+CF3COOH"	132.026685
"1635167"	877.41678	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+Na+CF3COOH"	136.98208
"1574832"	893.39072	"C17075"	"Timosaponin A-III"	"C39H64O13"	"740.4347"	"M+K+CF3COOH"	152.95602
"808482"	214.1933	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M"	0
"984202"	195.17491	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-H2O-H"	-19.01839
"75362"	141.788257333333	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M-3H"	-3.021828
"514193"	213.186024	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M-3H"	-3.021828
"893454"	70.3904906666667	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-3H"	-3.021828
"11664"	213.186024	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M-2H"	-2.014552
"453776"	320.282674	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M-2H"	-2.014552
"823559"	106.089374	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-2H"	-2.014552
"82455"	427.379324	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M-H"	-1.007276
"521041"	641.572624	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M-H"	-1.007276
"899819"	213.186024	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-H"	-1.007276
"48726"	444.405871	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M-2H+NH4"	16.019271
"492665"	658.599171	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M-2H+NH4"	16.019271
"868282"	230.212571	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-2H+NH4"	16.019271
"38369"	449.361266	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M-2H+Na"	20.974666
"482303"	663.554566	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M-2H+Na"	20.974666
"861565"	235.167966	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-2H+Na"	20.974666
"1627451"	235.167966	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Na-2H"	20.974666
"107261"	231.174363	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M-H+Cl"	33.962126
"539168"	338.271013	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M-H+Cl"	33.962126
"939614"	124.077713	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-H+Cl"	33.962126
"278895"	463.356002	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+Cl"	34.969402
"672411"	677.549302	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+Cl"	34.969402
"1285910"	249.162702	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Cl"	34.969402
"21907"	465.335206	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M-2H+K"	36.948606
"463652"	679.528506	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M-2H+K"	36.948606
"844376"	251.141906	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-2H+K"	36.948606
"1566039"	251.141906	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+K-2H"	36.948606
"952826"	259.191494	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-H+HCOOH"	44.998194
"370316"	473.384801	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+HCOOH-H"	44.998201
"354928"	487.400451	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+Hac-H"	59.013851
"1503758"	273.207151	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Hac-H"	59.013851
"968018"	281.173451	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-H+NaCOOH"	66.980151
"119111"	249.162702	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+2Cl"	69.938804
"557578"	356.259352	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+2Cl"	69.938804
"1034033"	142.066052	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2Cl"	69.938804
"1244862"	293.112185	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Br"	78.918885
"1305488"	295.168172	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Cl+HCOOH"	80.974872
"1321526"	317.150129	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Cl+NaCOOH"	102.956829
"911974"	327.178886	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M-H+CF3COOH"	112.985586
"1289414"	363.155564	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Cl+CF3COOH"	148.962264
"1371833"	179.180624	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H-2H2O"	-35.012676
"1387145"	197.1906	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H-H2O"	-17.0027
"290112"	429.393876	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+H"	1.007276
"679250"	643.587176	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+H"	1.007276
"1354143"	215.200576	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H"	1.007276
"129586"	215.200576	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+2H"	2.014552
"569146"	322.297226	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+2H"	2.014552
"1040134"	108.103926	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2H"	2.014552
"208034"	143.802809333333	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+3H"	3.021828
"648690"	215.200576	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+3H"	3.021828
"1169001"	72.4050426666667	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+3H"	3.021828
"431179"	446.420423	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+NH4"	18.033823
"789988"	660.613723	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+NH4"	18.033823
"1686320"	232.227123	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+NH4"	18.033823
"340069"	223.7138495	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+H+NH4"	19.041099
"734685"	330.8104995	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+H+NH4"	19.041099
"1490691"	116.6171995	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H+NH4"	19.041099
"404997"	451.375818	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+Na"	22.989218
"767084"	665.569118	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+Na"	22.989218
"1607532"	237.182518	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Na"	22.989218
"318664"	226.191547	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+H+Na"	23.996494
"719833"	333.288197	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+H+Na"	23.996494
"1476207"	119.094897	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H+Na"	23.996494
"1067750"	79.7323566666667	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2H+Na"	25.00377
"1267484"	247.226786	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+CH3OH+H"	33.033486
"392135"	467.349758	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+K"	38.963158
"745965"	681.543058	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+K"	38.963158
"1544736"	253.156458	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+K"	38.963158
"307379"	234.178517	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+H+K"	39.970434
"699799"	341.275167	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+H+K"	39.970434
"1452529"	127.081867	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H+K"	39.970434
"238571"	470.420426	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+ACN+H"	42.033826
"1212013"	256.227126	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+ACN+H"	42.033826
"1197353"	128.617201	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+ACN+2H"	43.041102
"190587"	473.35776	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+2Na-H"	44.97116
"630513"	687.55106	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+2Na-H"	44.97116
"1132558"	259.16446	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2Na-H"	44.97116
"174389"	237.182518	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+2Na"	45.978436
"614684"	344.279168	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+2Na"	45.978436
"1117827"	130.085868	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2Na"	45.978436
"1400985"	87.0596706666667	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H+2Na"	46.985712
"1432735"	261.206046	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H+HCOOH"	47.012746
"222796"	242.21554	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+3H2O+2H"	56.04448
"1512683"	275.25809	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+IsoProp+H"	61.06479
"413828"	245.169488	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+Na+K"	61.952376
"773728"	352.266138	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+Na+K"	61.952376
"1668967"	138.072838	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Na+K"	61.952376
"258049"	492.402368	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+ACN+Na"	64.015768
"1231120"	278.209068	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+ACN+Na"	64.015768
"1717091"	278.232593	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+NH4+HCOOH"	64.039293
"1182810"	94.3869846666667	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+3Na"	68.967654
"1655987"	283.187988	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Na+HCOOH"	68.994688
"162849"	505.30564	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+2K-H"	76.91904
"601316"	719.49894	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+2K-H"	76.91904
"1091296"	291.11234	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2K-H"	76.91904
"149207"	253.156458	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"2M+2K"	77.926316
"587674"	360.253108	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"3M+2K"	77.926316
"1078747"	146.059808	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2K"	77.926316
"1108674"	293.126892	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2K+H"	78.933592
"1345060"	293.214507	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+DMSO+H"	79.021207
"1012496"	297.253676	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2ACN+H"	83.060376
"1532808"	298.247308	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+IsoProp+Na+H"	84.054008
"1000350"	149.130476	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+2ACN+2H"	84.067652
"1595949"	299.161928	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+K+HCOOH"	84.968628
"1421608"	329.193438	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+H+CF3COOH"	115.000138
"1149710"	169.643751	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+3ACN+2H"	125.094202
"1704730"	346.219985	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+NH4+CF3COOH"	132.026685
"1635277"	351.17538	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+Na+CF3COOH"	136.98208
"1574942"	367.14932	"C17076"	"Tridecanoic acid"	"C13H26O2"	"214.1933"	"M+K+CF3COOH"	152.95602
"811872"	297.1365	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M"	0
"984312"	278.11811	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-H2O-H"	-19.01839
"75838"	197.083724	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M-3H"	-3.021828
"517585"	296.129224	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M-3H"	-3.021828
"893198"	98.038224	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-3H"	-3.021828
"15343"	296.129224	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M-2H"	-2.014552
"455343"	444.697474	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M-2H"	-2.014552
"828043"	147.560974	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-2H"	-2.014552
"83659"	593.265724	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M-H"	-1.007276
"521397"	890.402224	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M-H"	-1.007276
"902116"	296.129224	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-H"	-1.007276
"51025"	610.292271	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M-2H+NH4"	16.019271
"498242"	907.428771	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M-2H+NH4"	16.019271
"868392"	313.155771	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-2H+NH4"	16.019271
"38479"	615.247666	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M-2H+Na"	20.974666
"482413"	912.384166	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M-2H+Na"	20.974666
"863132"	318.111166	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-2H+Na"	20.974666
"1624281"	318.111166	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Na-2H"	20.974666
"109195"	314.117563	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M-H+Cl"	33.962126
"545838"	462.685813	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M-H+Cl"	33.962126
"940085"	165.549313	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-H+Cl"	33.962126
"280465"	629.242402	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+Cl"	34.969402
"672521"	926.378902	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+Cl"	34.969402
"1284562"	332.105902	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Cl"	34.969402
"24204"	631.221606	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M-2H+K"	36.948606
"464855"	928.358106	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M-2H+K"	36.948606
"845579"	334.085106	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-2H+K"	36.948606
"1565055"	334.085106	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+K-2H"	36.948606
"955123"	342.134694	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-H+HCOOH"	44.998194
"371155"	639.271201	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+HCOOH-H"	44.998201
"353945"	653.286851	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+Hac-H"	59.013851
"1501685"	356.150351	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Hac-H"	59.013851
"971045"	364.116651	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-H+NaCOOH"	66.980151
"122503"	332.105902	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+2Cl"	69.938804
"557689"	480.674152	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+2Cl"	69.938804
"1032688"	183.537652	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2Cl"	69.938804
"1246430"	376.055385	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Br"	78.918885
"1308515"	378.111372	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Cl+HCOOH"	80.974872
"1326010"	400.093329	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Cl+NaCOOH"	102.956829
"912088"	410.122086	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M-H+CF3COOH"	112.985586
"1292688"	446.098764	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Cl+CF3COOH"	148.962264
"1370850"	262.123824	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H-2H2O"	-35.012676
"1390535"	280.1338	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H-H2O"	-17.0027
"290222"	595.280276	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+H"	1.007276
"678630"	892.416776	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+H"	1.007276
"1353160"	298.143776	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H"	1.007276
"128237"	298.143776	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+2H"	2.014552
"569254"	446.712026	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+2H"	2.014552
"1039877"	149.575526	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2H"	2.014552
"208144"	199.098276	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+3H"	3.021828
"649893"	298.143776	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+3H"	3.021828
"1169111"	100.052776	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+3H"	3.021828
"426916"	612.306823	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+NH4"	18.033823
"794474"	909.443323	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+NH4"	18.033823
"1688619"	315.170323	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+NH4"	18.033823
"335807"	306.6570495	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+H+NH4"	19.041099
"736982"	455.2252995	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+H+NH4"	19.041099
"1491530"	158.0887995	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H+NH4"	19.041099
"405839"	617.262218	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+Na"	22.989218
"769549"	914.398718	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+Na"	22.989218
"1614203"	320.125718	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Na"	22.989218
"329103"	309.134747	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+H+Na"	23.996494
"719942"	457.702997	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+H+Na"	23.996494
"1476730"	160.566497	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H+Na"	23.996494
"1068387"	107.38009	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2H+Na"	25.00377
"1271852"	330.169986	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+CH3OH+H"	33.033486
"392808"	633.236158	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+K"	38.963158
"747168"	930.372658	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+K"	38.963158
"1544848"	336.099658	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+K"	38.963158
"309678"	317.121717	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+H+K"	39.970434
"706356"	465.689967	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+H+K"	39.970434
"1451544"	168.553467	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H+K"	39.970434
"240144"	636.306826	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+ACN+H"	42.033826
"1213214"	339.170326	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+ACN+H"	42.033826
"1197827"	170.088801	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+ACN+2H"	43.041102
"191065"	639.24416	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+2Na-H"	44.97116
"630625"	936.38066	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+2Na-H"	44.97116
"1134497"	342.10766	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2Na-H"	44.97116
"173652"	320.125718	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+2Na"	45.978436
"615523"	468.693968	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+2Na"	45.978436
"1118301"	171.557468	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2Na"	45.978436
"1401096"	114.707404	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H+2Na"	46.985712
"1431389"	344.149246	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H+HCOOH"	47.012746
"227646"	325.15874	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+3H2O+2H"	56.04448
"1514617"	358.20129	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+IsoProp+H"	61.06479
"414304"	328.112688	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+Na+K"	61.952376
"774932"	476.680938	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+Na+K"	61.952376
"1667983"	179.544438	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Na+K"	61.952376
"254880"	658.288768	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+ACN+Na"	64.015768
"1231231"	361.152268	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+ACN+Na"	64.015768
"1715379"	361.175793	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+NH4+HCOOH"	64.039293
"1181462"	122.034718	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+3Na"	68.967654
"1655003"	366.131188	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Na+HCOOH"	68.994688
"160773"	671.19204	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+2K-H"	76.91904
"602519"	968.32854	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+2K-H"	76.91904
"1090313"	374.05554	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2K-H"	76.91904
"150411"	336.099658	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"2M+2K"	77.926316
"589971"	484.667908	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"3M+2K"	77.926316
"1079950"	187.531408	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2K"	77.926316
"1105504"	376.070092	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2K+H"	78.933592
"1345170"	376.157707	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+DMSO+H"	79.021207
"1012605"	380.196876	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2ACN+H"	83.060376
"1532919"	381.190508	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+IsoProp+Na+H"	84.054008
"998271"	190.602076	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+2ACN+2H"	84.067652
"1597152"	382.105128	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+K+HCOOH"	84.968628
"1422813"	412.136638	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+H+CF3COOH"	115.000138
"1153100"	211.115351	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+3ACN+2H"	125.094202
"1703746"	429.163185	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+NH4+CF3COOH"	132.026685
"1635023"	434.11858	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+Na+CF3COOH"	136.98208
"1575052"	450.09252	"C17077"	"Tuduranine"	"C18H19NO3"	"297.1365"	"M+K+CF3COOH"	152.95602
"808702"	258.9844	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M"	0
"982235"	239.96601	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-H2O-H"	-19.01839
"74852"	171.648990666667	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M-3H"	-3.021828
"514413"	257.977124	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M-3H"	-3.021828
"893674"	85.3208573333333	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-3H"	-3.021828
"8606"	257.977124	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M-2H"	-2.014552
"453996"	387.469324	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M-2H"	-2.014552
"824872"	128.484924	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-2H"	-2.014552
"82675"	516.961524	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M-H"	-1.007276
"519439"	775.945924	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M-H"	-1.007276
"900039"	257.977124	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-H"	-1.007276
"50042"	533.988071	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M-2H+NH4"	16.019271
"492885"	792.972471	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M-2H+NH4"	16.019271
"868502"	275.003671	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-2H+NH4"	16.019271
"38589"	538.943466	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M-2H+Na"	20.974666
"482524"	797.927866	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M-2H+Na"	20.974666
"862878"	279.959066	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-2H+Na"	20.974666
"1627671"	279.959066	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Na-2H"	20.974666
"108578"	275.965463	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M-H+Cl"	33.962126
"541575"	405.457663	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M-H+Cl"	33.962126
"939831"	146.473263	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-H+Cl"	33.962126
"279481"	552.938202	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+Cl"	34.969402
"672998"	811.922602	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+Cl"	34.969402
"1286131"	293.953802	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Cl"	34.969402
"26501"	554.917406	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M-2H+K"	36.948606
"464966"	813.901806	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M-2H+K"	36.948606
"846052"	295.933006	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-2H+K"	36.948606
"1567352"	295.933006	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+K-2H"	36.948606
"953049"	303.982594	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-H+HCOOH"	44.998194
"371265"	562.967001	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+HCOOH-H"	44.998201
"357336"	576.982651	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+Hac-H"	59.013851
"1505078"	317.998251	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Hac-H"	59.013851
"973704"	325.964551	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-H+NaCOOH"	66.980151
"121519"	293.953802	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+2Cl"	69.938804
"559987"	423.446002	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+2Cl"	69.938804
"1032066"	164.461602	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2Cl"	69.938804
"1254198"	337.903285	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Br"	78.918885
"1311177"	339.959272	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Cl+HCOOH"	80.974872
"1324662"	361.941229	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Cl+NaCOOH"	102.956829
"918278"	371.969986	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M-H+CF3COOH"	112.985586
"1293894"	407.946664	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Cl+CF3COOH"	148.962264
"1374245"	223.971724	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H-2H2O"	-35.012676
"1392835"	241.9817	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H-H2O"	-17.0027
"292521"	518.976076	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+H"	1.007276
"683847"	777.960476	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+H"	1.007276
"1353272"	259.991676	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H"	1.007276
"126280"	259.991676	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+2H"	2.014552
"566690"	389.483876	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+2H"	2.014552
"1039260"	130.499476	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2H"	2.014552
"206066"	173.663542666667	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+3H"	3.021828
"645260"	259.991676	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+3H"	3.021828
"1164117"	87.3354093333333	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+3H"	3.021828
"427028"	536.002623	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+NH4"	18.033823
"794584"	794.987023	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+NH4"	18.033823
"1685445"	277.018223	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+NH4"	18.033823
"338103"	268.5049495	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+H+NH4"	19.041099
"735996"	397.9971495	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+H+NH4"	19.041099
"1490908"	139.0127495	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H+NH4"	19.041099
"407401"	540.958018	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+Na"	22.989218
"769494"	799.942418	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+Na"	22.989218
"1617837"	281.973618	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Na"	22.989218
"329091"	270.982647	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+H+Na"	23.996494
"720781"	400.474847	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+H+Na"	23.996494
"1476311"	141.490447	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H+Na"	23.996494
"1068140"	94.6627233333333	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2H+Na"	25.00377
"1272450"	292.017886	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+CH3OH+H"	33.033486
"392686"	556.931958	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+K"	38.963158
"743998"	815.916358	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+K"	38.963158
"1548238"	297.947558	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+K"	38.963158
"310881"	278.969617	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+H+K"	39.970434
"700021"	408.461817	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+H+K"	39.970434
"1450561"	149.477417	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H+K"	39.970434
"240254"	560.002626	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+ACN+H"	42.033826
"1212231"	301.018226	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+ACN+H"	42.033826
"1195390"	151.012751	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+ACN+2H"	43.041102
"190082"	562.93996	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+2Na-H"	44.97116
"630004"	821.92436	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+2Na-H"	44.97116
"1131564"	303.95556	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2Na-H"	44.97116
"173638"	281.973618	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+2Na"	45.978436
"612959"	411.465818	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+2Na"	45.978436
"1116342"	152.481418	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2Na"	45.978436
"1398515"	101.990037333333	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H+2Na"	46.985712
"1431501"	305.997146	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H+HCOOH"	47.012746
"220709"	287.00664	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+3H2O+2H"	56.04448
"1513997"	320.04919	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+IsoProp+H"	61.06479
"413320"	289.960588	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+Na+K"	61.952376
"773221"	419.452788	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+Na+K"	61.952376
"1666635"	160.468388	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Na+K"	61.952376
"255716"	581.984568	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+ACN+Na"	64.015768
"1231340"	323.000168	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+ACN+Na"	64.015768
"1719863"	323.023693	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+NH4+HCOOH"	64.039293
"1184126"	109.317351333333	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+3Na"	68.967654
"1652557"	327.979088	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Na+HCOOH"	68.994688
"164163"	594.88784	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+2K-H"	76.91904
"600806"	853.87224	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+2K-H"	76.91904
"1090423"	335.90344	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2K-H"	76.91904
"149427"	297.947558	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"2M+2K"	77.926316
"588987"	427.439758	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"3M+2K"	77.926316
"1073500"	168.455358	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2K"	77.926316
"1106708"	337.917992	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2K+H"	78.933592
"1345280"	338.005607	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+DMSO+H"	79.021207
"1015997"	342.044776	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2ACN+H"	83.060376
"1534123"	343.038408	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+IsoProp+Na+H"	84.054008
"997291"	171.526026	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+2ACN+2H"	84.067652
"1597262"	343.953028	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+K+HCOOH"	84.968628
"1425110"	373.984538	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+H+CF3COOH"	115.000138
"1152117"	192.039301	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+3ACN+2H"	125.094202
"1707136"	391.011085	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+NH4+CF3COOH"	132.026685
"1636226"	395.96648	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+Na+CF3COOH"	136.98208
"1575162"	411.94042	"C17079"	"3-Bromo-tyrosine;3-Bromotyrosine"	"C9H10BrNO3"	"258.9844"	"M+K+CF3COOH"	152.95602
"808812"	336.8949	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M"	0
"982345"	317.87651	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H2O-H"	-19.01839
"73869"	223.589324	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-3H"	-3.021828
"513430"	335.887624	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-3H"	-3.021828
"894148"	111.291024	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-3H"	-3.021828
"6530"	335.887624	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H"	-2.014552
"452648"	504.335074	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H"	-2.014552
"830086"	167.440174	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H"	-2.014552
"81328"	672.782524	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-H"	-1.007276
"520887"	1009.677424	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-H"	-1.007276
"898690"	335.887624	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H"	-1.007276
"52339"	689.809071	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H+NH4"	16.019271
"489715"	1026.703971	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H+NH4"	16.019271
"868612"	352.914171	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H+NH4"	16.019271
"38699"	694.764466	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H+Na"	20.974666
"482634"	1031.659366	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H+Na"	20.974666
"860436"	357.869566	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H+Na"	20.974666
"1624501"	357.869566	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na-2H"	20.974666
"107228"	353.875963	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-H+Cl"	33.962126
"541685"	522.323413	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-H+Cl"	33.962126
"938482"	185.428513	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+Cl"	33.962126
"281417"	708.759202	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Cl"	34.969402
"673108"	1045.654102	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+Cl"	34.969402
"1284050"	371.864302	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl"	34.969402
"28796"	710.738406	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M-2H+K"	36.948606
"465076"	1047.633306	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M-2H+K"	36.948606
"846162"	373.843506	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-2H+K"	36.948606
"1567462"	373.843506	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K-2H"	36.948606
"957534"	381.893094	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+HCOOH"	44.998194
"371375"	718.788001	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+HCOOH-H"	44.998201
"357446"	732.803651	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Hac-H"	59.013851
"1505552"	395.908751	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Hac-H"	59.013851
"970537"	403.875051	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+NaCOOH"	66.980151
"123817"	371.864302	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2Cl"	69.938804
"561190"	540.311752	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2Cl"	69.938804
"1033270"	203.416852	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2Cl"	69.938804
"1255036"	415.813785	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Br"	78.918885
"1309829"	417.869772	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl+HCOOH"	80.974872
"1324044"	439.851729	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl+NaCOOH"	102.956829
"918389"	449.880486	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M-H+CF3COOH"	112.985586
"1295098"	485.857164	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Cl+CF3COOH"	148.962264
"1378731"	301.882224	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H-2H2O"	-35.012676
"1394404"	319.8922	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H-H2O"	-17.0027
"292630"	674.797076	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H"	1.007276
"683957"	1011.691976	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H"	1.007276
"1353383"	337.902176	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H"	1.007276
"126998"	337.902176	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2H"	2.014552
"567043"	506.349626	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2H"	2.014552
"1037911"	169.454726	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2H"	2.014552
"204516"	225.603876	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+3H"	3.021828
"645010"	337.902176	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+3H"	3.021828
"1164223"	113.305576	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+3H"	3.021828
"426044"	691.823623	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+NH4"	18.033823
"791414"	1028.718523	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+NH4"	18.033823
"1684461"	354.928723	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+NH4"	18.033823
"336027"	346.4154495	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H+NH4"	19.041099
"727355"	514.8628995	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H+NH4"	19.041099
"1485550"	177.9679995	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+NH4"	19.041099
"398762"	696.779018	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Na"	22.989218
"767784"	1033.673918	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+Na"	22.989218
"1614425"	359.884118	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na"	22.989218
"328351"	348.893147	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H+Na"	23.996494
"722354"	517.340597	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H+Na"	23.996494
"1476175"	180.445697	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+Na"	23.996494
"1068251"	120.63289	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2H+Na"	25.00377
"1272194"	369.928386	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+CH3OH+H"	33.033486
"392549"	712.752958	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+K"	38.963158
"753584"	1049.647858	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+K"	38.963158
"1554909"	375.858058	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K"	38.963158
"308804"	356.880117	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+H+K"	39.970434
"699038"	525.327567	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+H+K"	39.970434
"1450669"	188.432667	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+K"	39.970434
"239272"	715.823626	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+ACN+H"	42.033826
"1214166"	378.928726	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+ACN+H"	42.033826
"1197323"	189.968001	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+ACN+2H"	43.041102
"189827"	718.76096	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2Na-H"	44.97116
"629630"	1055.65586	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2Na-H"	44.97116
"1133989"	381.86606	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2Na-H"	44.97116
"173628"	359.884118	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2Na"	45.978436
"613352"	528.331568	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2Na"	45.978436
"1117067"	191.436668	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2Na"	45.978436
"1399861"	127.960204	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+2Na"	46.985712
"1431976"	383.907646	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+HCOOH"	47.012746
"220819"	364.91714	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+3H2O+2H"	56.04448
"1510827"	397.95969	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+IsoProp+H"	61.06479
"412337"	367.871088	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+Na+K"	61.952376
"774425"	536.318538	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+Na+K"	61.952376
"1671858"	199.423638	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na+K"	61.952376
"255462"	737.805568	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+ACN+Na"	64.015768
"1233274"	400.910668	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+ACN+Na"	64.015768
"1719977"	400.934193	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+NH4+HCOOH"	64.039293
"1190800"	135.287518	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+3Na"	68.967654
"1653032"	405.889588	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na+HCOOH"	68.994688
"164273"	750.70884	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2K-H"	76.91904
"602739"	1087.60374	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2K-H"	76.91904
"1091626"	413.81394	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2K-H"	76.91904
"148443"	375.858058	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"2M+2K"	77.926316
"586910"	544.305508	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"3M+2K"	77.926316
"1074704"	207.410608	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2K"	77.926316
"1102080"	415.828492	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2K+H"	78.933592
"1347578"	415.916107	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+DMSO+H"	79.021207
"1012827"	419.955276	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2ACN+H"	83.060376
"1533138"	420.948908	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+IsoProp+Na+H"	84.054008
"995214"	210.481276	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+2ACN+2H"	84.067652
"1594089"	421.863528	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K+HCOOH"	84.968628
"1424126"	451.895038	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+H+CF3COOH"	115.000138
"1149675"	230.994551	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+3ACN+2H"	125.094202
"1707246"	468.921585	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+NH4+CF3COOH"	132.026685
"1635607"	473.87698	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+Na+CF3COOH"	136.98208
"1575272"	489.85092	"C17080"	"35-Dibromo-tyrosine;35-Dibromotyrosine"	"C9H9Br2NO3"	"336.8949"	"M+K+CF3COOH"	152.95602
"808922"	334.1079	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M"	0
"979174"	315.08951	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-H2O-H"	-19.01839
"65231"	221.731324	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M-3H"	-3.021828
"511352"	333.100624	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M-3H"	-3.021828
"893896"	110.362024	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-3H"	-3.021828
"11378"	333.100624	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M-2H"	-2.014552
"452031"	500.154574	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M-2H"	-2.014552
"829104"	166.046674	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-2H"	-2.014552
"83990"	667.208524	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M-H"	-1.007276
"525736"	1001.316424	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M-H"	-1.007276
"901352"	333.100624	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-H"	-1.007276
"55729"	684.235071	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M-2H+NH4"	16.019271
"487155"	1018.342971	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M-2H+NH4"	16.019271
"866535"	350.127171	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-2H+NH4"	16.019271
"38809"	689.190466	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M-2H+Na"	20.974666
"482016"	1023.298366	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M-2H+Na"	20.974666
"859818"	355.082566	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-2H+Na"	20.974666
"1621331"	355.082566	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Na-2H"	20.974666
"104421"	351.088963	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M-H+Cl"	33.962126
"539608"	518.142913	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M-H+Cl"	33.962126
"937499"	184.035013	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-H+Cl"	33.962126
"278974"	703.185202	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+Cl"	34.969402
"671759"	1037.293102	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+Cl"	34.969402
"1279785"	369.077302	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Cl"	34.969402
"24531"	705.164406	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M-2H+K"	36.948606
"466280"	1039.272306	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M-2H+K"	36.948606
"842628"	371.056506	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-2H+K"	36.948606
"1567572"	371.056506	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+K-2H"	36.948606
"954362"	379.106094	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-H+HCOOH"	44.998194
"371482"	713.214001	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+HCOOH-H"	44.998201
"357192"	727.229651	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+Hac-H"	59.013851
"1501652"	393.121751	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Hac-H"	59.013851
"971738"	401.088051	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-H+NaCOOH"	66.980151
"122834"	369.077302	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+2Cl"	69.938804
"561300"	536.131252	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+2Cl"	69.938804
"1030099"	202.023352	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2Cl"	69.938804
"1251865"	413.026785	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Br"	78.918885
"1311032"	415.082772	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Cl+HCOOH"	80.974872
"1321967"	437.064729	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Cl+NaCOOH"	102.956829
"919589"	447.093486	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M-H+CF3COOH"	112.985586
"1294113"	483.070164	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Cl+CF3COOH"	148.962264
"1379933"	299.095224	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H-2H2O"	-35.012676
"1395242"	317.1052	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H-H2O"	-17.0027
"293833"	669.223076	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+H"	1.007276
"684067"	1003.330976	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+H"	1.007276
"1353858"	335.115176	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H"	1.007276
"127958"	335.115176	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+2H"	2.014552
"567153"	502.169126	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+2H"	2.014552
"1038751"	168.061226	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2H"	2.014552
"205803"	223.745876	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+3H"	3.021828
"645849"	335.115176	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+3H"	3.021828
"1165182"	112.376576	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+3H"	3.021828
"427247"	686.249623	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+NH4"	18.033823
"792617"	1020.357523	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+NH4"	18.033823
"1684571"	352.141723	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+NH4"	18.033823
"335043"	343.6284495	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+H+NH4"	19.041099
"727465"	510.6823995	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+H+NH4"	19.041099
"1487847"	176.5744995	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H+NH4"	19.041099
"397779"	691.205018	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+Na"	22.989218
"767894"	1025.312918	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+Na"	22.989218
"1615264"	357.097118	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Na"	22.989218
"328462"	346.106147	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+H+Na"	23.996494
"722728"	513.160097	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+H+Na"	23.996494
"1476529"	179.052197	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H+Na"	23.996494
"1068280"	119.70389	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2H+Na"	25.00377
"1272426"	367.141386	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+CH3OH+H"	33.033486
"392460"	707.178958	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+K"	38.963158
"752724"	1041.286858	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+K"	38.963158
"1553927"	373.071058	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+K"	38.963158
"308914"	354.093117	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+H+K"	39.970434
"696962"	521.147067	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+H+K"	39.970434
"1449688"	187.039167	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H+K"	39.970434
"236467"	710.249626	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+ACN+H"	42.033826
"1214276"	376.141726	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+ACN+H"	42.033826
"1198162"	188.574501	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+ACN+2H"	43.041102
"192124"	713.18696	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+2Na-H"	44.97116
"629496"	1047.29486	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+2Na-H"	44.97116
"1132393"	379.07906	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2Na-H"	44.97116
"173781"	357.097118	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+2Na"	45.978436
"613014"	524.151068	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+2Na"	45.978436
"1119363"	190.043168	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2Na"	45.978436
"1399036"	127.031204	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H+2Na"	46.985712
"1431723"	381.120646	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H+HCOOH"	47.012746
"221780"	362.13014	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+3H2O+2H"	56.04448
"1508651"	395.17269	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+IsoProp+H"	61.06479
"413540"	365.084088	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+Na+K"	61.952376
"774535"	532.138038	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+Na+K"	61.952376
"1674155"	198.030138	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Na+K"	61.952376
"258488"	732.231568	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+ACN+Na"	64.015768
"1232291"	398.123668	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+ACN+Na"	64.015768
"1722274"	398.147193	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+NH4+HCOOH"	64.039293
"1193098"	134.358518	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+3Na"	68.967654
"1656424"	403.102588	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Na+HCOOH"	68.994688
"162196"	745.13484	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+2K-H"	76.91904
"607223"	1079.24274	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+2K-H"	76.91904
"1096110"	411.02694	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2K-H"	76.91904
"154020"	373.071058	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"2M+2K"	77.926316
"590301"	540.125008	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"3M+2K"	77.926316
"1078094"	206.017108	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2K"	77.926316
"1105836"	413.041492	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2K+H"	78.933592
"1350120"	413.129107	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+DMSO+H"	79.021207
"1016217"	417.168276	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2ACN+H"	83.060376
"1531062"	418.161908	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+IsoProp+Na+H"	84.054008
"995325"	209.087776	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+2ACN+2H"	84.067652
"1593107"	419.076528	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+K+HCOOH"	84.968628
"1426423"	449.108038	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+H+CF3COOH"	115.000138
"1154524"	229.601051	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+3ACN+2H"	125.094202
"1705170"	466.134585	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+NH4+CF3COOH"	132.026685
"1634742"	471.08998	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+Na+CF3COOH"	136.98208
"1575382"	487.06392	"C17083"	"Worenine"	"C20H16NO4"	"334.1079"	"M+K+CF3COOH"	152.95602
"809032"	417.8953	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M"	0
"979284"	398.87691	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-H2O-H"	-19.01839
"70808"	277.589590666667	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M-3H"	-3.021828
"513649"	416.888024	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M-3H"	-3.021828
"895100"	138.291157333333	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-3H"	-3.021828
"13311"	416.888024	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M-2H"	-2.014552
"452869"	625.835674	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M-2H"	-2.014552
"831035"	207.940374	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-2H"	-2.014552
"89567"	834.783324	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M-H"	-1.007276
"525846"	1252.678624	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M-H"	-1.007276
"903648"	416.888024	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-H"	-1.007276
"54744"	851.809871	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M-2H+NH4"	16.019271
"487260"	1269.705171	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M-2H+NH4"	16.019271
"864821"	433.914571	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-2H+NH4"	16.019271
"35639"	856.765266	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M-2H+Na"	20.974666
"476293"	1274.660566	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M-2H+Na"	20.974666
"854095"	438.869966	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-2H+Na"	20.974666
"1622534"	438.869966	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Na-2H"	20.974666
"97970"	434.876363	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M-H+Cl"	33.962126
"539716"	643.824013	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M-H+Cl"	33.962126
"929952"	225.928713	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-H+Cl"	33.962126
"278352"	870.760002	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+Cl"	34.969402
"671140"	1288.655302	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+Cl"	34.969402
"1279895"	452.864702	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Cl"	34.969402
"21360"	872.739206	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M-2H+K"	36.948606
"465297"	1290.634506	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M-2H+K"	36.948606
"843831"	454.843906	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-2H+K"	36.948606
"1569505"	454.843906	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+K-2H"	36.948606
"954471"	462.893494	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-H+HCOOH"	44.998194
"370499"	880.788801	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+HCOOH-H"	44.998201
"358030"	894.804451	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+Hac-H"	59.013851
"1504675"	476.909151	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Hac-H"	59.013851
"971848"	484.875451	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-H+NaCOOH"	66.980151
"116382"	452.864702	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+2Cl"	69.938804
"561410"	661.812352	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+2Cl"	69.938804
"1028386"	243.917052	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2Cl"	69.938804
"1249788"	496.814185	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Br"	78.918885
"1307861"	498.870172	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Cl+HCOOH"	80.974872
"1323534"	520.852129	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Cl+NaCOOH"	102.956829
"919699"	530.880886	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M-H+CF3COOH"	112.985586
"1296410"	566.857564	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Cl+CF3COOH"	148.962264
"1371656"	382.882624	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H-2H2O"	-35.012676
"1393163"	400.8926	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H-H2O"	-17.0027
"293943"	836.797876	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+H"	1.007276
"681990"	1254.693176	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+H"	1.007276
"1353600"	418.902576	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H"	1.007276
"127945"	418.902576	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+2H"	2.014552
"567505"	627.850226	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+2H"	2.014552
"1038006"	209.954926	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2H"	2.014552
"205302"	279.604142666667	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+3H"	3.021828
"645952"	418.902576	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+3H"	3.021828
"1165535"	140.305709333333	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+3H"	3.021828
"426262"	853.824423	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+NH4"	18.033823
"788351"	1271.719723	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+NH4"	18.033823
"1683952"	435.929123	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+NH4"	18.033823
"337339"	427.4158495	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+H+NH4"	19.041099
"729761"	636.3634995	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+H+NH4"	19.041099
"1486864"	218.4681995	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H+NH4"	19.041099
"401167"	858.779818	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+Na"	22.989218
"769218"	1276.675118	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+Na"	22.989218
"1617559"	440.884518	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Na"	22.989218
"329303"	429.893547	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+H+Na"	23.996494
"721967"	638.841197	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+H+Na"	23.996494
"1475540"	220.945897	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H+Na"	23.996494
"1067703"	147.633023333333	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2H+Na"	25.00377
"1272052"	450.928786	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+CH3OH+H"	33.033486
"391929"	874.753758	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+K"	38.963158
"752713"	1292.649058	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+K"	38.963158
"1552943"	456.858458	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+K"	38.963158
"310483"	437.880517	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+H+K"	39.970434
"700352"	646.828167	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+H+K"	39.970434
"1455265"	228.932867	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H+K"	39.970434
"239128"	877.824426	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+ACN+H"	42.033826
"1214386"	459.929126	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+ACN+H"	42.033826
"1200457"	230.468201	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+ACN+2H"	43.041102
"192233"	880.76176	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+2Na-H"	44.97116
"629605"	1298.65706	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+2Na-H"	44.97116
"1131895"	462.86646	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2Na-H"	44.97116
"172930"	440.884518	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+2Na"	45.978436
"612877"	649.832168	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+2Na"	45.978436
"1121660"	231.936868	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2Na"	45.978436
"1398550"	154.960337333333	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H+2Na"	46.985712
"1431833"	464.908046	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H+HCOOH"	47.012746
"223712"	445.91754	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+3H2O+2H"	56.04448
"1510681"	478.96009	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+IsoProp+H"	61.06479
"414744"	448.871488	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+Na+K"	61.952376
"773552"	657.819138	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+Na+K"	61.952376
"1674265"	239.923838	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Na+K"	61.952376
"258598"	899.806368	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+ACN+Na"	64.015768
"1233494"	481.911068	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+ACN+Na"	64.015768
"1724570"	481.934593	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+NH4+HCOOH"	64.039293
"1192113"	162.287651333333	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+3Na"	68.967654
"1657627"	486.889988	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Na+HCOOH"	68.994688
"167773"	912.70964	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+2K-H"	76.91904
"610612"	1330.60494	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+2K-H"	76.91904
"1095125"	494.81434	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2K-H"	76.91904
"153036"	456.858458	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"2M+2K"	77.926316
"592598"	665.806108	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"3M+2K"	77.926316
"1080391"	247.910808	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2K"	77.926316
"1105947"	496.828892	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2K+H"	78.933592
"1350715"	496.916507	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+DMSO+H"	79.021207
"1019608"	500.955676	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2ACN+H"	83.060376
"1534452"	501.949308	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+IsoProp+Na+H"	84.054008
"994341"	250.981476	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+2ACN+2H"	84.067652
"1595404"	502.863928	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+K+HCOOH"	84.968628
"1424347"	532.895438	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+H+CF3COOH"	115.000138
"1151354"	271.494751	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+3ACN+2H"	125.094202
"1705280"	549.921985	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+NH4+CF3COOH"	132.026685
"1634287"	554.87738	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+Na+CF3COOH"	136.98208
"1572212"	570.85132	"C17084"	"66-Dibromoindigotin;66-Dibromoindigo;Tyrian purple"	"C16H8Br2N2O2"	"417.8953"	"M+K+CF3COOH"	152.95602
"809137"	246.1256	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M"	0
"987775"	227.10721	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"74196"	163.076457333333	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"510476"	245.118324	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"892655"	81.0345906666667	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"12323"	245.118324	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"451884"	368.181124	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"820936"	122.055524	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"87490"	491.243924	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"528143"	737.369524	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"903760"	245.118324	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"60324"	508.270471	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"499889"	754.396071	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"876596"	262.144871	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"33804"	513.225866	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"476401"	759.351466	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"855296"	267.100266	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1624829"	267.100266	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"101359"	263.106663	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"540920"	386.169463	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"935528"	140.043863	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"269344"	527.220602	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"666507"	773.346202	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1277819"	281.095002	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"22560"	529.199806	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"459933"	775.325406	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"837736"	283.074206	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1562319"	283.074206	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"948015"	291.123794	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"366231"	537.249401	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"350115"	551.265051	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1497124"	305.139451	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"968678"	313.105751	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"118679"	281.095002	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"558239"	404.157802	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1031414"	158.032202	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1250991"	325.044485	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1313438"	327.100472	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1327653"	349.082429	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"916889"	359.111186	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1289702"	395.087864	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1368109"	211.112924	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1384875"	229.1229	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"285296"	493.258476	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"676992"	739.384076	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1353344"	247.132876	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"126019"	247.132876	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"566155"	370.195676	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1037502"	124.070076	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"205402"	165.091009333333	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"646056"	247.132876	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1166003"	83.0491426666667	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"427458"	510.285023	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"789549"	756.410623	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1685510"	264.159423	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"330871"	255.6461495	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"725480"	378.7089495	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1477483"	132.5833495	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"394343"	515.240418	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"762268"	761.366018	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1605990"	269.114818	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"323690"	258.123847	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"721338"	381.186647	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1473214"	135.061047	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1060989"	90.3764566666667	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1265949"	279.159086	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"391938"	531.214358	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"748801"	777.339958	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1554509"	285.088758	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"313141"	266.110817	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"703741"	389.173617	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1457561"	143.048017	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"247254"	534.285026	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1216685"	288.159426	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1198381"	144.583351	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"190159"	537.22236	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"633001"	783.34796	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1137600"	291.09676	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"178703"	269.114818	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"622638"	392.177618	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1119584"	146.052018	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1406387"	97.7037706666667	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1441783"	293.138346	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"230383"	274.14784	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1519538"	307.19039	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"413756"	277.101788	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"773657"	400.164588	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1668163"	154.038988	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"252980"	556.266968	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1230311"	310.141368	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1715917"	310.164893	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1180182"	105.031084666667	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1659926"	315.120288	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"164601"	569.17024	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"607440"	815.29584	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1094139"	323.04464	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"149862"	285.088758	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"591613"	408.151558	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1079405"	162.025958	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1109335"	325.059192	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1349853"	325.146807	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1016439"	329.185976	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1535658"	330.179608	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"999918"	165.096626	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1597702"	331.094228	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1424458"	361.125738	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1155837"	185.609901	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1708670"	378.152285	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1634477"	383.10768	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1572686"	399.08162	"C17085"	"Zederone"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"816840"	336.9078	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M"	0
"989687"	317.88941	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-H2O-H"	-19.01839
"71026"	223.597924	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M-3H"	-3.021828
"508399"	335.900524	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M-3H"	-3.021828
"893859"	111.295324	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-3H"	-3.021828
"12434"	335.900524	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M-2H"	-2.014552
"454181"	504.354424	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M-2H"	-2.014552
"821048"	167.446624	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-2H"	-2.014552
"88694"	672.808324	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M-H"	-1.007276
"526069"	1009.716124	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M-H"	-1.007276
"907151"	335.900524	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-H"	-1.007276
"54966"	689.834871	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M-2H+NH4"	16.019271
"498905"	1026.742671	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M-2H+NH4"	16.019271
"874519"	352.927071	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-2H+NH4"	16.019271
"34028"	694.790266	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M-2H+Na"	20.974666
"477603"	1031.698066	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M-2H+Na"	20.974666
"850182"	357.882466	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-2H+Na"	20.974666
"1620569"	357.882466	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Na-2H"	20.974666
"102564"	353.888863	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M-H+Cl"	33.962126
"542124"	522.342763	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M-H+Cl"	33.962126
"931264"	185.434963	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-H+Cl"	33.962126
"273103"	708.785002	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+Cl"	34.969402
"666617"	1045.692802	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+Cl"	34.969402
"1282303"	371.877202	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Cl"	34.969402
"23764"	710.764206	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M-2H+K"	36.948606
"458584"	1047.672006	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M-2H+K"	36.948606
"837485"	373.856406	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-2H+K"	36.948606
"1562429"	373.856406	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+K-2H"	36.948606
"948127"	381.905994	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-H+HCOOH"	44.998194
"368530"	718.813801	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+HCOOH-H"	44.998201
"353508"	732.829451	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+Hac-H"	59.013851
"1501246"	395.921651	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Hac-H"	59.013851
"968788"	403.887951	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-H+NaCOOH"	66.980151
"118789"	371.877202	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+2Cl"	69.938804
"561629"	540.331102	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+2Cl"	69.938804
"1031524"	203.423302	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2Cl"	69.938804
"1247819"	415.826685	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Br"	78.918885
"1310996"	417.882672	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Cl+HCOOH"	80.974872
"1325211"	439.864629	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Cl+NaCOOH"	102.956829
"914447"	449.893386	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M-H+CF3COOH"	112.985586
"1289935"	485.870064	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Cl+CF3COOH"	148.962264
"1367366"	301.895124	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H-2H2O"	-35.012676
"1383284"	319.9051	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H-H2O"	-17.0027
"284677"	674.822876	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+H"	1.007276
"677467"	1011.730676	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+H"	1.007276
"1353090"	337.915076	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H"	1.007276
"126337"	337.915076	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+2H"	2.014552
"566993"	506.368976	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+2H"	2.014552
"1037735"	169.461176	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2H"	2.014552
"204782"	225.612476	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+3H"	3.021828
"645437"	337.915076	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+3H"	3.021828
"1164290"	113.309876	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+3H"	3.021828
"426838"	691.849423	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+NH4"	18.033823
"790021"	1028.757223	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+NH4"	18.033823
"1681729"	354.941623	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+NH4"	18.033823
"330981"	346.4283495	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+H+NH4"	19.041099
"724131"	514.8822495	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+H+NH4"	19.041099
"1477065"	177.9744495	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H+NH4"	19.041099
"392881"	696.804818	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+Na"	22.989218
"760191"	1033.712618	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+Na"	22.989218
"1603668"	359.897018	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Na"	22.989218
"321610"	348.906047	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+H+Na"	23.996494
"721327"	517.359947	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+H+Na"	23.996494
"1474417"	180.452147	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H+Na"	23.996494
"1061099"	120.63719	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2H+Na"	25.00377
"1269340"	369.941286	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+CH3OH+H"	33.033486
"392048"	712.778758	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+K"	38.963158
"748911"	1049.686558	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+K"	38.963158
"1554250"	375.870958	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+K"	38.963158
"313613"	356.893017	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+H+K"	39.970434
"704943"	525.346917	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+H+K"	39.970434
"1458764"	188.439117	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H+K"	39.970434
"247363"	715.849426	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+ACN+H"	42.033826
"1217886"	378.941626	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+ACN+H"	42.033826
"1199585"	189.974451	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+ACN+2H"	43.041102
"190023"	718.78676	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+2Na-H"	44.97116
"630315"	1055.69456	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+2Na-H"	44.97116
"1136617"	381.87896	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2Na-H"	44.97116
"173585"	359.897018	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+2Na"	45.978436
"621655"	528.350918	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+2Na"	45.978436
"1119693"	191.443118	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2Na"	45.978436
"1405404"	127.964504	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H+2Na"	46.985712
"1439706"	383.920546	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H+HCOOH"	47.012746
"231587"	364.93004	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+3H2O+2H"	56.04448
"1517461"	397.97259	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+IsoProp+H"	61.06479
"414958"	367.883988	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+Na+K"	61.952376
"772674"	536.337888	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+Na+K"	61.952376
"1667906"	199.430088	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Na+K"	61.952376
"252244"	737.831368	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+ACN+Na"	64.015768
"1227506"	400.923568	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+ACN+Na"	64.015768
"1715301"	400.947093	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+NH4+HCOOH"	64.039293
"1181019"	135.291818	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+3Na"	68.967654
"1663316"	405.902488	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Na+HCOOH"	68.994688
"165803"	750.73464	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+2K-H"	76.91904
"610829"	1087.64244	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+2K-H"	76.91904
"1093157"	413.82684	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2K-H"	76.91904
"152162"	375.870958	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"2M+2K"	77.926316
"595976"	544.324858	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"3M+2K"	77.926316
"1083406"	207.417058	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2K"	77.926316
"1110539"	415.841392	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2K+H"	78.933592
"1350084"	415.929007	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+DMSO+H"	79.021207
"1015457"	419.968176	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2ACN+H"	83.060376
"1531395"	420.961808	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+IsoProp+Na+H"	84.054008
"994562"	210.487726	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+2ACN+2H"	84.067652
"1598907"	421.876428	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+K+HCOOH"	84.968628
"1425661"	451.907938	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+H+CF3COOH"	115.000138
"1157044"	231.001001	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+3ACN+2H"	125.094202
"1703314"	468.934485	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+NH4+CF3COOH"	132.026685
"1634953"	473.88988	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+Na+CF3COOH"	136.98208
"1575713"	489.86382	"C17086"	"Tyrindoxyl sulfate"	"C9H8BrNO4S2"	"336.9078"	"M+K+CF3COOH"	152.95602
"801985"	547.0968	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M"	0
"979611"	528.07841	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-H2O-H"	-19.01839
"71136"	363.723924	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M-3H"	-3.021828
"510695"	546.089524	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M-3H"	-3.021828
"889593"	181.358324	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-3H"	-3.021828
"13638"	546.089524	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M-2H"	-2.014552
"453198"	819.637924	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M-2H"	-2.014552
"828813"	272.541124	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-2H"	-2.014552
"93179"	1093.186324	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M-H"	-1.007276
"526179"	1640.283124	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M-H"	-1.007276
"910541"	546.089524	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-H"	-1.007276
"58356"	1110.212871	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+NH4"	16.019271
"500108"	1657.309671	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+NH4"	16.019271
"875722"	563.116071	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-2H+NH4"	16.019271
"43624"	1115.168266	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+Na"	20.974666
"475529"	1662.265066	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+Na"	20.974666
"857702"	568.071466	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-2H+Na"	20.974666
"1622865"	568.071466	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Na-2H"	20.974666
"102674"	564.077863	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M-H+Cl"	33.962126
"543326"	837.626263	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M-H+Cl"	33.962126
"930281"	290.529463	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-H+Cl"	33.962126
"274305"	1129.163002	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+Cl"	34.969402
"664540"	1676.259802	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+Cl"	34.969402
"1278037"	582.066202	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Cl"	34.969402
"20593"	1131.142206	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+K"	36.948606
"460153"	1678.239006	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+K"	36.948606
"840147"	584.045406	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-2H+K"	36.948606
"1561447"	584.045406	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+K-2H"	36.948606
"949331"	592.094994	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-H+HCOOH"	44.998194
"369735"	1139.191801	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+HCOOH-H"	44.998201
"351066"	1153.207451	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+Hac-H"	59.013851
"1501356"	606.110651	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Hac-H"	59.013851
"968898"	614.076951	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-H+NaCOOH"	66.980151
"118899"	582.066202	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+2Cl"	69.938804
"561739"	855.614602	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+2Cl"	69.938804
"1031634"	308.517802	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2Cl"	69.938804
"1247930"	626.015685	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Br"	78.918885
"1313658"	628.071672	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+HCOOH"	80.974872
"1330060"	650.053629	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+NaCOOH"	102.956829
"914557"	660.082386	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M-H+CF3COOH"	112.985586
"1288593"	696.059064	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+CF3COOH"	148.962264
"1367151"	512.084124	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H-2H2O"	-35.012676
"1383029"	530.0941	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H-H2O"	-17.0027
"283936"	1095.200876	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+H"	1.007276
"676966"	1642.297676	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+H"	1.007276
"1353200"	548.104076	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H"	1.007276
"125809"	548.104076	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+2H"	2.014552
"568563"	821.652476	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+2H"	2.014552
"1037604"	274.555676	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2H"	2.014552
"206110"	365.738476	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+3H"	3.021828
"645913"	548.104076	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+3H"	3.021828
"1164035"	183.372876	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+3H"	3.021828
"425857"	1112.227423	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+NH4"	18.033823
"788674"	1659.324223	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+NH4"	18.033823
"1682811"	565.130623	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+NH4"	18.033823
"332180"	556.6173495	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+H+NH4"	19.041099
"724604"	830.1657495	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+H+NH4"	19.041099
"1477459"	283.0689495	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H+NH4"	19.041099
"392864"	1117.182818	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+Na"	22.989218
"758113"	1664.279618	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+Na"	22.989218
"1604024"	570.086018	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Na"	22.989218
"319534"	559.095047	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+H+Na"	23.996494
"719612"	832.643447	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+H+Na"	23.996494
"1475014"	285.546647	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H+Na"	23.996494
"1064489"	190.70019	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2H+Na"	25.00377
"1269450"	580.130286	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+CH3OH+H"	33.033486
"391306"	1133.156758	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+K"	38.963158
"751208"	1680.253558	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+K"	38.963158
"1553996"	586.059958	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+K"	38.963158
"313358"	567.082017	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+H+K"	39.970434
"706147"	840.630417	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+H+K"	39.970434
"1455591"	293.533617	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H+K"	39.970434
"245286"	1136.227426	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+H"	42.033826
"1219090"	589.130626	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+H"	42.033826
"1202976"	295.068951	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+2H"	43.041102
"196940"	1139.16476	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na-H"	44.97116
"634314"	1686.26156	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na-H"	44.97116
"1140008"	592.06796	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2Na-H"	44.97116
"182203"	570.086018	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na"	45.978436
"621765"	843.634418	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na"	45.978436
"1125271"	296.537618	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2Na"	45.978436
"1405514"	198.027504	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H+2Na"	46.985712
"1439816"	594.109546	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H+HCOOH"	47.012746
"230603"	575.11904	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+3H2O+2H"	56.04448
"1517571"	608.16159	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+H"	61.06479
"416161"	578.072988	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+Na+K"	61.952376
"771690"	851.621388	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+Na+K"	61.952376
"1666560"	304.524588	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Na+K"	61.952376
"252475"	1158.209368	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+Na"	64.015768
"1228345"	611.112568	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+Na"	64.015768
"1715047"	611.136093	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+HCOOH"	64.039293
"1181494"	205.354818	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+3Na"	68.967654
"1661239"	616.091488	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Na+HCOOH"	68.994688
"167006"	1171.11264	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+2K-H"	76.91904
"608752"	1718.20944	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+2K-H"	76.91904
"1093267"	624.01584	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2K-H"	76.91904
"152272"	586.059958	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"2M+2K"	77.926316
"594020"	859.608358	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"3M+2K"	77.926316
"1082787"	312.511558	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2K"	77.926316
"1111743"	626.030392	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2K+H"	78.933592
"1345941"	626.118007	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+DMSO+H"	79.021207
"1014473"	630.157176	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+H"	83.060376
"1531505"	631.150808	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+Na+H"	84.054008
"995766"	315.582226	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+2H"	84.067652
"1597923"	632.065428	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+K+HCOOH"	84.968628
"1428929"	662.096938	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+H+CF3COOH"	115.000138
"1158247"	336.095501	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+3ACN+2H"	125.094202
"1703424"	679.123485	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+CF3COOH"	132.026685
"1635428"	684.07888	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+Na+CF3COOH"	136.98208
"1575823"	700.05282	"C17087"	"dTDP-(3R)-amino-36-dideoxy-D-glucose;dTDP-3-amino-36-dideoxy-D-allose"	"C16H27N3O14P2"	"547.0968"	"M+K+CF3COOH"	152.95602
"801388"	204.1878	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M"	0
"976441"	185.16941	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"67966"	135.117924	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"509712"	203.180524	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"889703"	67.055324	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"9371"	203.180524	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"450025"	305.274424	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"826736"	101.086624	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"88914"	407.368324	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519725"	611.556124	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"900810"	203.180524	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"56278"	424.394871	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499121"	628.582671	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"875833"	220.207071	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"41547"	429.350266	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"472359"	633.538066	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"848693"	225.162466	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1618838"	225.162466	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97317"	221.168863	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"537969"	323.262763	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"927386"	119.074963	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"271499"	443.345002	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664650"	647.532802	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1278145"	239.157202	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"17056"	445.324206	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459170"	649.512006	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838798"	241.136406	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562285"	241.136406	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"948346"	249.185994	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368385"	453.373801	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"351905"	467.389451	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1501466"	263.201651	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"964269"	271.167951	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"115363"	239.157202	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"555287"	341.251102	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1028828"	137.063302	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1244758"	283.106685	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309393"	285.162672	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1327983"	307.144629	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"911576"	317.173386	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1288896"	353.150064	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1367336"	169.175124	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1383251"	187.1851	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"282938"	409.382876	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676582"	613.570676	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1353310"	205.195076	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H"	1.007276
"126068"	205.195076	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"565877"	307.288976	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1037472"	103.101176	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"205124"	137.132476	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"645413"	205.195076	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1163657"	69.069876	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"424862"	426.409423	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"786592"	630.597223	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1681947"	222.221623	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"331201"	213.7083495	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"724713"	315.8022495	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1479636"	111.6144495	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"394669"	431.364818	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"759316"	635.552618	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604133"	227.177018	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320736"	216.186047	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"719721"	318.279947	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1476704"	114.092147	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1064599"	76.39719	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268466"	237.221286	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383761"	447.338758	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"743662"	651.526558	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1553377"	243.150958	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K"	38.963158
"308365"	224.173017	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704070"	326.266917	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1455701"	122.079117	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"243209"	450.409426	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1218106"	246.221626	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1200896"	123.614451	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"195957"	453.34676	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"632237"	657.53456	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1140117"	249.15896	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"179033"	227.177018	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617502"	329.270918	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122099"	125.083118	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1405624"	83.724504	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1439926"	251.200546	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230713"	232.21004	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1516588"	265.25259	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"417364"	235.163988	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"771070"	337.257888	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1668489"	133.070088	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"252099"	472.391368	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226267"	268.203568	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1716250"	268.227093	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1180146"	91.051818	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1658068"	273.182488	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167116"	485.29464	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"606675"	689.48244	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095563"	281.10684	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"152381"	243.150958	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"594981"	345.244858	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1081924"	141.057058	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111852"	283.121392	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1343863"	283.209007	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1014583"	287.248176	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1530521"	288.241808	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"995875"	144.127726	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598033"	289.156428	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1426974"	319.187938	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1159450"	164.641001	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1703534"	336.214485	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1634446"	341.16988	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575933"	357.14382	"C17088"	"alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"801792"	151.0189	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M"	0
"977644"	132.00051	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-H2O-H"	-19.01839
"68076"	99.6719906666667	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M-3H"	-3.021828
"509822"	150.011624	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M-3H"	-3.021828
"889813"	49.3323573333333	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-3H"	-3.021828
"7295"	150.011624	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M-2H"	-2.014552
"450135"	225.521074	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M-2H"	-2.014552
"822473"	74.502174	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-2H"	-2.014552
"89024"	301.030524	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M-H"	-1.007276
"518617"	452.049424	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M-H"	-1.007276
"900920"	150.011624	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-H"	-1.007276
"56388"	318.057071	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M-2H+NH4"	16.019271
"498138"	469.075971	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M-2H+NH4"	16.019271
"874850"	167.038171	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-2H+NH4"	16.019271
"41657"	323.012466	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M-2H+Na"	20.974666
"483037"	474.031366	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M-2H+Na"	20.974666
"848557"	171.993566	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-2H+Na"	20.974666
"1618827"	171.993566	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Na-2H"	20.974666
"94304"	167.999963	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M-H+Cl"	33.962126
"534714"	243.509413	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M-H+Cl"	33.962126
"927460"	92.490513	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-H+Cl"	33.962126
"271245"	337.007202	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+Cl"	34.969402
"664760"	488.026102	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+Cl"	34.969402
"1277162"	185.988302	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Cl"	34.969402
"16599"	338.986406	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M-2H+K"	36.948606
"456606"	490.005306	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M-2H+K"	36.948606
"839272"	187.967506	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-2H+K"	36.948606
"1562395"	187.967506	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+K-2H"	36.948606
"946998"	196.017094	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-H+HCOOH"	44.998194
"368495"	347.036001	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+HCOOH-H"	44.998201
"350920"	361.051651	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+Hac-H"	59.013851
"1498659"	210.032751	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Hac-H"	59.013851
"965472"	217.999051	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-H+NaCOOH"	66.980151
"116566"	185.988302	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+2Cl"	69.938804
"554669"	261.497752	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+2Cl"	69.938804
"1027843"	110.478852	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2Cl"	69.938804
"1241992"	229.937785	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Br"	78.918885
"1309503"	231.993772	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Cl+HCOOH"	80.974872
"1325177"	253.975729	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Cl+NaCOOH"	102.956829
"911977"	264.004486	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M-H+CF3COOH"	112.985586
"1290025"	299.981164	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Cl+CF3COOH"	148.962264
"1367046"	116.006224	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H-2H2O"	-35.012676
"1382956"	134.0162	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H-H2O"	-17.0027
"284031"	303.045076	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+H"	1.007276
"676938"	454.063976	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+H"	1.007276
"1353056"	152.026176	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H"	1.007276
"125942"	152.026176	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+2H"	2.014552
"566223"	227.535626	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+2H"	2.014552
"1038065"	76.516726	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2H"	2.014552
"205843"	101.686542666667	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+3H"	3.021828
"646496"	152.026176	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+3H"	3.021828
"1163889"	51.3469093333333	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+3H"	3.021828
"425338"	320.071623	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+NH4"	18.033823
"787796"	471.090523	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+NH4"	18.033823
"1682665"	169.052723	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+NH4"	18.033823
"331307"	160.5394495	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+H+NH4"	19.041099
"725553"	236.0488995	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+H+NH4"	19.041099
"1479745"	85.0299995	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H+NH4"	19.041099
"396602"	325.027018	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+Na"	22.989218
"759426"	476.045918	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+Na"	22.989218
"1605458"	174.008118	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Na"	22.989218
"319753"	163.017147	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+H+Na"	23.996494
"720683"	238.526597	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+H+Na"	23.996494
"1475842"	87.507697	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H+Na"	23.996494
"1064709"	58.6742233333333	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2H+Na"	25.00377
"1270763"	184.052386	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+CH3OH+H"	33.033486
"386058"	341.000958	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+K"	38.963158
"749238"	492.019858	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+K"	38.963158
"1551300"	189.982058	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+K"	38.963158
"306287"	171.004117	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+H+K"	39.970434
"703085"	246.513567	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+H+K"	39.970434
"1448157"	95.494667	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H+K"	39.970434
"238944"	344.071626	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+ACN+H"	42.033826
"1214936"	193.052726	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+ACN+H"	42.033826
"1199913"	97.030001	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+ACN+2H"	43.041102
"194974"	347.00896	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+2Na-H"	44.97116
"631254"	498.02786	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+2Na-H"	44.97116
"1140227"	195.99006	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2Na-H"	44.97116
"181330"	174.008118	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+2Na"	45.978436
"620892"	249.517568	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+2Na"	45.978436
"1124396"	98.498668	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2Na"	45.978436
"1405734"	66.0015373333333	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H+2Na"	46.985712
"1438942"	198.031646	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H+HCOOH"	47.012746
"229730"	179.04114	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+3H2O+2H"	56.04448
"1514511"	212.08369	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+IsoProp+H"	61.06479
"414197"	181.995088	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+Na+K"	61.952376
"770815"	257.504538	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+Na+K"	61.952376
"1666778"	106.485638	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Na+K"	61.952376
"252936"	366.053568	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+ACN+Na"	64.015768
"1227469"	215.034668	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+ACN+Na"	64.015768
"1713322"	215.058193	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+NH4+HCOOH"	64.039293
"1180255"	73.3288513333333	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+3Na"	68.967654
"1657085"	220.013588	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Na+HCOOH"	68.994688
"166133"	378.95684	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+2K-H"	76.91904
"603505"	529.97574	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+2K-H"	76.91904
"1091299"	227.93794	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2K-H"	76.91904
"152491"	189.982058	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"2M+2K"	77.926316
"595091"	265.491508	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"3M+2K"	77.926316
"1083006"	114.472608	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2K"	77.926316
"1112934"	229.952492	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2K+H"	78.933592
"1346161"	230.040107	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+DMSO+H"	79.021207
"1014693"	234.079276	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2ACN+H"	83.060376
"1532819"	235.072908	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+IsoProp+Na+H"	84.054008
"997078"	117.543276	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+2ACN+2H"	84.067652
"1597050"	235.987528	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+K+HCOOH"	84.968628
"1424897"	266.019038	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+H+CF3COOH"	115.000138
"1158466"	138.056551	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+3ACN+2H"	125.094202
"1703644"	283.045585	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+NH4+CF3COOH"	132.026685
"1634554"	288.00098	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+Na+CF3COOH"	136.98208
"1576043"	303.97492	"C17089"	"6-Chloroindole;6-Chloro-1H-indole"	"C8H6ClN"	"151.0189"	"M+K+CF3COOH"	152.95602
"805313"	218.1671	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M"	0
"977754"	199.14871	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"69279"	144.437457333333	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"511025"	217.159824	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"892109"	71.7150906666667	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"9592"	217.159824	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"452432"	326.243374	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"828049"	108.076274	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"89134"	435.326924	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"519700"	653.494024	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"904310"	217.159824	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"56498"	452.353471	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"500557"	670.520571	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"876780"	234.186371	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"44317"	457.308866	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"483513"	675.475966	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"849517"	239.141766	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1623190"	239.141766	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"95344"	235.148163	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"535149"	344.231713	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"927812"	126.064613	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"272448"	471.303602	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"664870"	689.470702	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1278365"	253.136502	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"18735"	473.282806	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"456226"	691.449906	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"841204"	255.115706	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1563598"	255.115706	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"948930"	263.165294	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"367147"	481.332401	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"352852"	495.348051	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1498403"	277.180951	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"963758"	285.147251	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"117405"	253.136502	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"555507"	362.220052	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1027225"	144.052952	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1243885"	297.085985	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1305603"	299.141972	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1321276"	321.123929	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"914157"	331.152686	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1288473"	367.129364	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1367106"	183.154424	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1382771"	201.1644	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"282870"	437.341476	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"675828"	655.508576	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1352433"	219.174376	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"126661"	219.174376	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"565692"	328.257926	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1037811"	110.090826	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"205586"	146.452009333333	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"645875"	219.174376	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1163270"	73.7296426666667	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"424713"	454.368023	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"786932"	672.535123	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1681330"	236.200923	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"330441"	227.6876495	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"724934"	336.7711995	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1477910"	118.6040995	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"393918"	459.323418	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"756255"	677.490518	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1603621"	241.156318	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"324235"	230.165347	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"720671"	339.248897	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1476969"	121.081797	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1062633"	81.0569566666667	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1269416"	251.200586	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"390177"	475.297358	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"747162"	693.464458	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1549217"	257.130258	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"309677"	238.152317	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"705382"	347.235867	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1450453"	129.068767	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"241240"	478.368026	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1217232"	260.200926	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1203303"	130.604101	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"199457"	481.30536	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"633551"	699.47246	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1138152"	263.13826	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"182536"	241.156318	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"621003"	350.239868	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1124506"	132.072768	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1406937"	88.3842706666667	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1440146"	265.179846	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"229842"	246.18934	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1513528"	279.23189	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"416493"	249.143288	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"770072"	358.226838	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1668712"	140.059738	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"252195"	500.349968	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1225998"	282.182868	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1712949"	282.206393	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1179228"	95.7115846666667	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1659382"	287.161788	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"165150"	513.25324	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"603615"	731.42034	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1091409"	295.08614	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"151506"	257.130258	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"595935"	366.213808	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1082756"	148.046708	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1114017"	297.100692	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1349677"	297.188307	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1018084"	301.227476	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1536208"	302.221108	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"997189"	151.117376	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1597159"	303.135728	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1426101"	333.167238	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1156389"	171.630651	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1703754"	350.193785	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1634420"	355.14918	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1576153"	371.12312	"C17090"	"alpha-Cyperone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"801491"	247.1936	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M"	0
"977864"	228.17521	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-H2O-H"	-19.01839
"71575"	163.788457333333	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M-3H"	-3.021828
"512228"	246.186324	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M-3H"	-3.021828
"893312"	81.3905906666667	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-3H"	-3.021828
"9701"	246.186324	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M-2H"	-2.014552
"452542"	369.783124	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M-2H"	-2.014552
"828159"	122.589524	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-2H"	-2.014552
"89244"	493.379924	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M-H"	-1.007276
"518840"	740.573524	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M-H"	-1.007276
"904420"	246.186324	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-H"	-1.007276
"56608"	510.406471	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M-2H+NH4"	16.019271
"497262"	757.600071	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M-2H+NH4"	16.019271
"877617"	263.212871	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-2H+NH4"	16.019271
"45520"	515.361866	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M-2H+Na"	20.974666
"483619"	762.555466	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M-2H+Na"	20.974666
"849504"	268.168266	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-2H+Na"	20.974666
"1622207"	268.168266	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Na-2H"	20.974666
"95454"	264.174663	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M-H+Cl"	33.962126
"536108"	387.771463	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M-H+Cl"	33.962126
"928531"	140.577863	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-H+Cl"	33.962126
"272558"	529.356602	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+Cl"	34.969402
"666073"	776.550202	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+Cl"	34.969402
"1278475"	282.163002	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Cl"	34.969402
"18845"	531.335806	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M-2H+K"	36.948606
"456215"	778.529406	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M-2H+K"	36.948606
"841314"	284.142206	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-2H+K"	36.948606
"1562250"	284.142206	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+K-2H"	36.948606
"947945"	292.191794	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-H+HCOOH"	44.998194
"365798"	539.385401	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+HCOOH-H"	44.998201
"353327"	553.401051	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+Hac-H"	59.013851
"1498513"	306.207451	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Hac-H"	59.013851
"964232"	314.173751	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-H+NaCOOH"	66.980151
"114961"	282.163002	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+2Cl"	69.938804
"554887"	405.759802	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+2Cl"	69.938804
"1026971"	158.566202	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2Cl"	69.938804
"1242900"	326.112485	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Br"	78.918885
"1306077"	328.168472	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Cl+HCOOH"	80.974872
"1321751"	350.150429	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Cl+NaCOOH"	102.956829
"914267"	360.179186	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M-H+CF3COOH"	112.985586
"1289150"	396.155864	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Cl+CF3COOH"	148.962264
"1367071"	212.180924	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H-2H2O"	-35.012676
"1382937"	230.1909	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H-H2O"	-17.0027
"282892"	495.394476	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+H"	1.007276
"675744"	742.588076	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+H"	1.007276
"1352542"	248.200876	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H"	1.007276
"126525"	248.200876	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+2H"	2.014552
"565686"	371.797676	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+2H"	2.014552
"1037147"	124.604076	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2H"	2.014552
"204846"	165.803009333333	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+3H"	3.021828
"644647"	248.200876	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+3H"	3.021828
"1163744"	83.4051426666667	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+3H"	3.021828
"424821"	512.421023	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+NH4"	18.033823
"786192"	759.614623	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+NH4"	18.033823
"1681827"	265.227423	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+NH4"	18.033823
"331162"	256.7141495	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+H+NH4"	19.041099
"723587"	380.3109495	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+H+NH4"	19.041099
"1478507"	133.1173495	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H+NH4"	19.041099
"393906"	517.376418	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+Na"	22.989218
"755272"	764.570018	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+Na"	22.989218
"1603123"	270.182818	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Na"	22.989218
"323252"	259.191847	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+H+Na"	23.996494
"720418"	382.788647	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+H+Na"	23.996494
"1477010"	135.595047	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H+Na"	23.996494
"1068364"	90.7324566666667	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2H+Na"	25.00377
"1272616"	280.227086	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+CH3OH+H"	33.033486
"390287"	533.350358	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+K"	38.963158
"747272"	780.543958	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+K"	38.963158
"1551879"	286.156758	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+K"	38.963158
"309786"	267.178817	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+H+K"	39.970434
"704398"	390.775617	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+H+K"	39.970434
"1451656"	143.582017	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H+K"	39.970434
"240257"	536.421026	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+ACN+H"	42.033826
"1216249"	289.227426	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+ACN+H"	42.033826
"1203413"	145.117351	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+ACN+2H"	43.041102
"199567"	539.35836	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+2Na-H"	44.97116
"633661"	786.55196	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+2Na-H"	44.97116
"1139720"	292.16476	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2Na-H"	44.97116
"180093"	270.182818	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+2Na"	45.978436
"614549"	393.779618	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+2Na"	45.978436
"1123523"	146.586018	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2Na"	45.978436
"1401580"	98.0597706666667	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H+2Na"	46.985712
"1438070"	294.206346	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H+HCOOH"	47.012746
"228857"	275.21584	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+3H2O+2H"	56.04448
"1514732"	308.25839	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+IsoProp+H"	61.06479
"412230"	278.169788	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+Na+K"	61.952376
"769966"	401.766588	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+Na+K"	61.952376
"1667729"	154.572988	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Na+K"	61.952376
"251514"	558.402968	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+ACN+Na"	64.015768
"1225630"	311.209368	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+ACN+Na"	64.015768
"1712829"	311.232893	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+NH4+HCOOH"	64.039293
"1178486"	105.387084666667	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+3Na"	68.967654
"1661678"	316.188288	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Na+HCOOH"	68.994688
"166353"	571.30624	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+2K-H"	76.91904
"603725"	818.49984	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+2K-H"	76.91904
"1091518"	324.11264	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2K-H"	76.91904
"151616"	286.156758	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"2M+2K"	77.926316
"588989"	409.753558	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"3M+2K"	77.926316
"1082250"	162.559958	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2K"	77.926316
"1115100"	326.127192	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2K+H"	78.933592
"1347475"	326.214807	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+DMSO+H"	79.021207
"1018191"	330.253976	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2ACN+H"	83.060376
"1536319"	331.247608	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+IsoProp+Na+H"	84.054008
"997299"	165.630626	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+2ACN+2H"	84.067652
"1597269"	332.162228	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+K+HCOOH"	84.968628
"1427303"	362.193738	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+H+CF3COOH"	115.000138
"1156499"	186.143901	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+3ACN+2H"	125.094202
"1707144"	379.220285	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+NH4+CF3COOH"	132.026685
"1635260"	384.17568	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+Na+CF3COOH"	136.98208
"1576263"	400.14962	"C17091"	"alpha-Sanshool"	"C16H25NO"	"247.1936"	"M+K+CF3COOH"	152.95602
"801494"	431.0481	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M"	0
"976881"	412.02971	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-H2O-H"	-19.01839
"68406"	286.358124	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M-3H"	-3.021828
"513433"	430.040824	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M-3H"	-3.021828
"892331"	142.675424	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-3H"	-3.021828
"12000"	430.040824	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M-2H"	-2.014552
"450466"	645.564874	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M-2H"	-2.014552
"824989"	214.516774	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-2H"	-2.014552
"89355"	861.088924	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M-H"	-1.007276
"518829"	1292.137024	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M-H"	-1.007276
"903437"	430.040824	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-H"	-1.007276
"56718"	878.115471	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M-2H+NH4"	16.019271
"497374"	1309.163571	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M-2H+NH4"	16.019271
"875541"	447.067371	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-2H+NH4"	16.019271
"43078"	883.070866	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M-2H+Na"	20.974666
"482636"	1314.118966	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M-2H+Na"	20.974666
"848763"	452.022766	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-2H+Na"	20.974666
"1622317"	452.022766	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Na-2H"	20.974666
"94326"	448.029163	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M-H+Cl"	33.962126
"534473"	663.553213	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M-H+Cl"	33.962126
"929372"	232.505113	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-H+Cl"	33.962126
"271575"	897.065602	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+Cl"	34.969402
"662176"	1328.113702	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+Cl"	34.969402
"1276401"	466.017502	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Cl"	34.969402
"18958"	899.044806	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M-2H+K"	36.948606
"456039"	1330.092906	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M-2H+K"	36.948606
"838510"	467.996706	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-2H+K"	36.948606
"1564183"	467.996706	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+K-2H"	36.948606
"946962"	476.046294	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-H+HCOOH"	44.998194
"368098"	907.094401	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+HCOOH-H"	44.998201
"351249"	921.110051	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+Hac-H"	59.013851
"1498624"	490.061951	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Hac-H"	59.013851
"963980"	498.028251	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-H+NaCOOH"	66.980151
"115073"	466.017502	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+2Cl"	69.938804
"553540"	681.541552	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+2Cl"	69.938804
"1027445"	250.493452	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2Cl"	69.938804
"1242646"	509.966985	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Br"	78.918885
"1308011"	512.022972	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Cl+HCOOH"	80.974872
"1321495"	534.004929	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Cl+NaCOOH"	102.956829
"914013"	544.033686	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M-H+CF3COOH"	112.985586
"1289624"	580.010364	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Cl+CF3COOH"	148.962264
"1367660"	396.035424	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H-2H2O"	-35.012676
"1382883"	414.0454	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H-H2O"	-17.0027
"283224"	863.103476	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+H"	1.007276
"676656"	1294.151576	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+H"	1.007276
"1351671"	432.055376	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H"	1.007276
"126064"	432.055376	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+2H"	2.014552
"565860"	647.579426	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+2H"	2.014552
"1037187"	216.531326	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2H"	2.014552
"205198"	288.372676	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+3H"	3.021828
"644997"	432.055376	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+3H"	3.021828
"1163854"	144.689976	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+3H"	3.021828
"425421"	880.130023	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+NH4"	18.033823
"786301"	1311.178123	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+NH4"	18.033823
"1682990"	449.081923	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+NH4"	18.033823
"330461"	440.5686495	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+H+NH4"	19.041099
"724061"	656.0926995	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+H+NH4"	19.041099
"1477188"	225.0445995	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H+NH4"	19.041099
"393285"	885.085418	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+Na"	22.989218
"754410"	1316.133518	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+Na"	22.989218
"1603477"	454.037318	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Na"	22.989218
"322267"	443.046347	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+H+Na"	23.996494
"711408"	658.570397	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+H+Na"	23.996494
"1461374"	227.522297	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H+Na"	23.996494
"1059570"	152.01729	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2H+Na"	25.00377
"1265623"	464.081586	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+CH3OH+H"	33.033486
"389304"	901.059358	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+K"	38.963158
"748110"	1332.107458	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+K"	38.963158
"1550536"	470.011258	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+K"	38.963158
"309897"	451.033317	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+H+K"	39.970434
"704508"	666.557367	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+H+K"	39.970434
"1450673"	235.509267	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H+K"	39.970434
"238181"	904.130026	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+ACN+H"	42.033826
"1216359"	473.081926	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+ACN+H"	42.033826
"1204616"	237.044601	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+ACN+2H"	43.041102
"195304"	907.06736	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+2Na-H"	44.97116
"638144"	1338.11546	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+2Na-H"	44.97116
"1137642"	476.01926	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2Na-H"	44.97116
"177652"	454.037318	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+2Na"	45.978436
"613077"	669.561368	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+2Na"	45.978436
"1122540"	238.513268	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2Na"	45.978436
"1403148"	159.344604	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H+2Na"	46.985712
"1438179"	478.060846	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H+HCOOH"	47.012746
"225687"	459.07034	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+3H2O+2H"	56.04448
"1508759"	492.11289	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+IsoProp+H"	61.06479
"410154"	462.024288	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+Na+K"	61.952376
"769948"	677.548338	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+Na+K"	61.952376
"1665590"	246.500238	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Na+K"	61.952376
"251602"	926.111968	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+ACN+Na"	64.015768
"1225726"	495.063868	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+ACN+Na"	64.015768
"1712924"	495.087393	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+NH4+HCOOH"	64.039293
"1178843"	166.671918	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+3Na"	68.967654
"1650044"	500.042788	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Na+HCOOH"	68.994688
"158801"	939.01524	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+2K-H"	76.91904
"609304"	1370.06334	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+2K-H"	76.91904
"1089442"	507.96714	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2K-H"	76.91904
"148446"	470.011258	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"2M+2K"	77.926316
"592381"	685.535308	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"3M+2K"	77.926316
"1083214"	254.487208	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2K"	77.926316
"1114113"	509.981692	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2K+H"	78.933592
"1347583"	510.069307	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+DMSO+H"	79.021207
"1020123"	514.108476	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2ACN+H"	83.060376
"1538613"	515.102108	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+IsoProp+Na+H"	84.054008
"1001782"	257.557876	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+2ACN+2H"	84.067652
"1598472"	516.016728	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+K+HCOOH"	84.968628
"1427413"	546.048238	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+H+CF3COOH"	115.000138
"1150413"	278.071151	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+3ACN+2H"	125.094202
"1700694"	563.074785	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+NH4+CF3COOH"	132.026685
"1634885"	568.03018	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+Na+CF3COOH"	136.98208
"1571752"	584.00412	"C17092"	"Clionamide"	"C19H18BrN3O4"	"431.0481"	"M+K+CF3COOH"	152.95602
"810018"	529.0863	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M"	0
"983552"	510.06791	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-H2O-H"	-19.01839
"75077"	351.716924	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M-3H"	-3.021828
"516827"	528.079024	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M-3H"	-3.021828
"892442"	175.354824	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-3H"	-3.021828
"13205"	528.079024	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H"	-2.014552
"452764"	792.622174	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H"	-2.014552
"825099"	263.535874	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-2H"	-2.014552
"86185"	1057.165324	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M-H"	-1.007276
"519670"	1586.251624	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M-H"	-1.007276
"903547"	528.079024	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-H"	-1.007276
"55735"	1074.191871	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+NH4"	16.019271
"500401"	1603.278171	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+NH4"	16.019271
"876380"	545.105571	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-2H+NH4"	16.019271
"42097"	1079.147266	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+Na"	20.974666
"480560"	1608.233566	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+Na"	20.974666
"849086"	550.060966	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-2H+Na"	20.974666
"1618862"	550.060966	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Na-2H"	20.974666
"94301"	546.067363	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M-H+Cl"	33.962126
"535233"	810.610513	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M-H+Cl"	33.962126
"927166"	281.524213	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-H+Cl"	33.962126
"268401"	1093.142002	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+Cl"	34.969402
"661916"	1622.228302	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+Cl"	34.969402
"1272936"	564.055702	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl"	34.969402
"16510"	1095.121206	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+K"	36.948606
"456190"	1624.207506	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+K"	36.948606
"838620"	566.034906	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-2H+K"	36.948606
"1562106"	566.034906	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+K-2H"	36.948606
"947802"	574.084494	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-H+HCOOH"	44.998194
"368208"	1103.170801	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+HCOOH-H"	44.998201
"349902"	1117.186451	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+Hac-H"	59.013851
"1497641"	588.100151	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Hac-H"	59.013851
"967372"	596.066451	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-H+NaCOOH"	66.980151
"114455"	564.055702	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+2Cl"	69.938804
"553650"	828.598852	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+2Cl"	69.938804
"1026461"	299.512552	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2Cl"	69.938804
"1244215"	608.005185	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Br"	78.918885
"1308121"	610.061172	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+HCOOH"	80.974872
"1320513"	632.043129	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+NaCOOH"	102.956829
"913759"	642.071886	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M-H+CF3COOH"	112.985586
"1289005"	678.048564	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+CF3COOH"	148.962264
"1367286"	494.073624	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H-2H2O"	-35.012676
"1383685"	512.0836	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H-H2O"	-17.0027
"283255"	1059.179876	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+H"	1.007276
"675778"	1588.266176	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+H"	1.007276
"1351663"	530.093576	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H"	1.007276
"126173"	530.093576	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+2H"	2.014552
"566181"	794.636726	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+2H"	2.014552
"1037653"	265.550426	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2H"	2.014552
"205309"	353.731476	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+3H"	3.021828
"645111"	530.093576	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+3H"	3.021828
"1163111"	177.369376	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+3H"	3.021828
"425422"	1076.206423	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+NH4"	18.033823
"786781"	1605.292723	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+NH4"	18.033823
"1683472"	547.120123	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+NH4"	18.033823
"331508"	538.6068495	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+H+NH4"	19.041099
"723933"	803.1499995	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+H+NH4"	19.041099
"1477265"	274.0636995	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H+NH4"	19.041099
"393029"	1081.161818	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+Na"	22.989218
"757679"	1610.248118	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+Na"	22.989218
"1604315"	552.075518	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Na"	22.989218
"322377"	541.084547	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+H+Na"	23.996494
"712612"	805.627697	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+H+Na"	23.996494
"1470809"	276.541397	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H+Na"	23.996494
"1058584"	184.69669	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2H+Na"	25.00377
"1264638"	562.119786	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+CH3OH+H"	33.033486
"389414"	1097.135758	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+K"	38.963158
"747491"	1626.222058	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+K"	38.963158
"1551375"	568.049458	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+K"	38.963158
"309643"	549.071517	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+H+K"	39.970434
"702065"	813.614667	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+H+K"	39.970434
"1454063"	284.528367	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H+K"	39.970434
"241568"	1100.206426	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+ACN+H"	42.033826
"1221571"	571.120126	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+H"	42.033826
"1204363"	286.063701	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+2H"	43.041102
"196506"	1103.14376	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+2Na-H"	44.97116
"631692"	1632.23006	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+2Na-H"	44.97116
"1139938"	574.05746	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2Na-H"	44.97116
"176669"	552.075518	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+2Na"	45.978436
"618416"	816.618668	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+2Na"	45.978436
"1121556"	287.532368	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2Na"	45.978436
"1400461"	192.024004	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H+2Na"	46.985712
"1439381"	576.099046	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H+HCOOH"	47.012746
"227984"	557.10854	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+3H2O+2H"	56.04448
"1516046"	590.15109	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+IsoProp+H"	61.06479
"412452"	560.062488	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+Na+K"	61.952376
"769986"	824.605638	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+Na+K"	61.952376
"1665840"	295.519338	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Na+K"	61.952376
"252277"	1122.188368	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+ACN+Na"	64.015768
"1225655"	593.102068	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+Na"	64.015768
"1713309"	593.125593	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+NH4+HCOOH"	64.039293
"1178582"	199.351318	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+3Na"	68.967654
"1650346"	598.080988	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Na+HCOOH"	68.994688
"162192"	1135.09164	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+2K-H"	76.91904
"609414"	1664.17794	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+2K-H"	76.91904
"1087364"	606.00534	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2K-H"	76.91904
"146368"	568.049458	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"2M+2K"	77.926316
"590304"	832.592608	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"3M+2K"	77.926316
"1081378"	303.506308	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2K"	77.926316
"1114224"	608.019892	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2K+H"	78.933592
"1346598"	608.107507	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+DMSO+H"	79.021207
"1020233"	612.146676	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2ACN+H"	83.060376
"1536536"	613.140308	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+IsoProp+Na+H"	84.054008
"1004077"	306.576976	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+2ACN+2H"	84.067652
"1598584"	614.054928	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+K+HCOOH"	84.968628
"1425335"	644.086438	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+H+CF3COOH"	115.000138
"1153439"	327.090251	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+3ACN+2H"	125.094202
"1702990"	661.112985	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+NH4+CF3COOH"	132.026685
"1639735"	666.06838	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+Na+CF3COOH"	136.98208
"1572106"	682.04232	"C17093"	"dTDP-3-amino-46-deoxy-34-dehydroglucose"	"C16H25N3O13P2"	"529.0863"	"M+K+CF3COOH"	152.95602
"803566"	204.1878	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M"	0
"978194"	185.16941	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"76646"	135.117924	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516936"	203.180524	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"894012"	67.055324	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13316"	203.180524	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452511"	305.274424	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"828489"	101.086624	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"86295"	407.368324	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"525856"	611.556124	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"904752"	203.180524	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"59127"	424.394871	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"501239"	628.582671	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876854"	220.207071	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44394"	429.350266	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"481399"	633.538066	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"851911"	225.162466	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1623632"	225.162466	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"94350"	221.168863	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"534287"	323.262763	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"928860"	119.074963	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"267238"	443.345002	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"662268"	647.532802	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1272994"	239.157202	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"16741"	445.324206	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"456423"	649.512006	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838729"	241.136406	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1564405"	241.136406	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947912"	249.185994	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368318"	453.373801	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"350376"	467.389451	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1497752"	263.201651	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965294"	271.167951	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"115660"	239.157202	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"556676"	341.251102	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1028030"	137.063302	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1246148"	283.106685	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1307137"	285.162672	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1321716"	307.144629	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"915692"	317.173386	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1290937"	353.150064	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1368856"	169.175124	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1382946"	187.1851	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"283726"	409.382876	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"675824"	613.570676	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1352144"	205.195076	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H"	1.007276
"126614"	205.195076	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"566901"	307.288976	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039225"	103.101176	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206154"	137.132476	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"645228"	205.195076	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1163838"	69.069876	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"425889"	426.409423	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"787252"	630.597223	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1683582"	222.221623	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"331495"	213.7083495	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"723187"	315.8022495	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1477742"	111.6144495	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"394603"	431.364818	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"754867"	635.552618	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603453"	227.177018	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321394"	216.186047	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"719284"	318.279947	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1470918"	114.092147	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1065256"	76.39719	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268029"	237.221286	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"391346"	447.338758	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"750880"	651.526558	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1552579"	243.150958	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+K"	38.963158
"310849"	224.173017	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704728"	326.266917	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1459277"	122.079117	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"241681"	450.409426	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1221685"	246.221626	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1204111"	123.614451	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"198441"	453.34676	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"632898"	657.53456	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1136404"	249.15896	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"180059"	227.177018	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"616339"	329.270918	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1124947"	125.083118	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1406284"	83.724504	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1441681"	251.200546	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"231375"	232.21004	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1515063"	265.25259	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"415842"	235.163988	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"772461"	337.257888	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1665997"	133.070088	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"251905"	472.391368	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226557"	268.203568	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714112"	268.227093	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1180077"	91.051818	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1651431"	273.182488	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"164489"	485.29464	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"608430"	689.48244	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1089664"	281.10684	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"142469"	243.150958	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"588227"	345.244858	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1082582"	141.057058	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110324"	283.121392	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345617"	283.209007	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1015239"	287.248176	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1537740"	288.241808	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"999812"	144.127726	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598691"	289.156428	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425445"	319.187938	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148445"	164.641001	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1706382"	336.214485	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635836"	341.16988	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573312"	357.14382	"C17094"	"beta-Elemene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"813520"	398.1267	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M"	0
"985961"	379.10831	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-H2O-H"	-19.01839
"66548"	264.410524	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M-3H"	-3.021828
"515591"	397.119424	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M-3H"	-3.021828
"892664"	131.701624	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-3H"	-3.021828
"15636"	397.119424	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M-2H"	-2.014552
"450796"	596.182774	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M-2H"	-2.014552
"829696"	198.056074	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-2H"	-2.014552
"87500"	795.246124	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M-H"	-1.007276
"531074"	1193.372824	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M-H"	-1.007276
"909603"	397.119424	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-H"	-1.007276
"58149"	812.272671	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M-2H+NH4"	16.019271
"499893"	1210.399371	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M-2H+NH4"	16.019271
"877332"	414.145971	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-2H+NH4"	16.019271
"43411"	817.228066	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M-2H+Na"	20.974666
"480786"	1215.354766	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M-2H+Na"	20.974666
"849835"	419.101366	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-2H+Na"	20.974666
"1622649"	419.101366	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Na-2H"	20.974666
"95896"	415.107763	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M-H+Cl"	33.962126
"537643"	614.171113	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M-H+Cl"	33.962126
"928972"	216.044413	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-H+Cl"	33.962126
"268009"	831.222802	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+Cl"	34.969402
"660230"	1229.349502	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+Cl"	34.969402
"1273321"	433.096102	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Cl"	34.969402
"16364"	833.202006	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M-2H+K"	36.948606
"457263"	1231.328706	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M-2H+K"	36.948606
"842120"	435.075306	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-2H+K"	36.948606
"1566337"	435.075306	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+K-2H"	36.948606
"951302"	443.124894	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-H+HCOOH"	44.998194
"373531"	841.251601	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+HCOOH-H"	44.998201
"353402"	855.267251	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+Hac-H"	59.013851
"1503693"	457.140551	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Hac-H"	59.013851
"967592"	465.106851	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-H+NaCOOH"	66.980151
"117591"	433.096102	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+2Cl"	69.938804
"557151"	632.159452	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+2Cl"	69.938804
"1029597"	234.032752	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2Cl"	69.938804
"1248080"	477.045585	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Br"	78.918885
"1307611"	479.101572	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Cl+HCOOH"	80.974872
"1322554"	501.083529	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Cl+NaCOOH"	102.956829
"914709"	511.112286	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M-H+CF3COOH"	112.985586
"1291777"	547.088964	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Cl+CF3COOH"	148.962264
"1369209"	363.114024	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H-2H2O"	-35.012676
"1383664"	381.124	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H-H2O"	-17.0027
"283715"	797.260676	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+H"	1.007276
"676622"	1195.387376	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+H"	1.007276
"1351890"	399.133976	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H"	1.007276
"129155"	399.133976	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+2H"	2.014552
"566525"	598.197326	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+2H"	2.014552
"1037512"	200.070626	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2H"	2.014552
"204356"	266.425076	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+3H"	3.021828
"644971"	399.133976	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+3H"	3.021828
"1163464"	133.716176	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+3H"	3.021828
"426728"	814.287223	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+NH4"	18.033823
"786392"	1212.413923	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+NH4"	18.033823
"1682840"	416.160523	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+NH4"	18.033823
"331607"	407.6472495	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+H+NH4"	19.041099
"724269"	606.7105995	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+H+NH4"	19.041099
"1478221"	208.5838995	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H+NH4"	19.041099
"394714"	819.242618	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+Na"	22.989218
"754614"	1217.369318	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+Na"	22.989218
"1603683"	421.115918	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Na"	22.989218
"320411"	410.124947	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+H+Na"	23.996494
"715021"	609.188297	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+H+Na"	23.996494
"1469935"	211.061597	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H+Na"	23.996494
"1062086"	141.04349	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2H+Na"	25.00377
"1265953"	431.160186	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+CH3OH+H"	33.033486
"385621"	835.216558	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+K"	38.963158
"749897"	1233.343258	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+K"	38.963158
"1555241"	437.089858	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+K"	38.963158
"311324"	418.111917	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+H+K"	39.970434
"704109"	617.175267	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+H+K"	39.970434
"1458295"	219.048567	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H+K"	39.970434
"243978"	838.287226	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+ACN+H"	42.033826
"1221063"	440.160526	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+ACN+H"	42.033826
"1206772"	220.583901	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+ACN+2H"	43.041102
"200009"	841.22456	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+2Na-H"	44.97116
"636288"	1239.35126	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+2Na-H"	44.97116
"1140888"	443.09786	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2Na-H"	44.97116
"182356"	421.115918	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+2Na"	45.978436
"622646"	620.179268	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+2Na"	45.978436
"1125057"	222.052568	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2Na"	45.978436
"1406395"	148.370804	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H+2Na"	46.985712
"1442887"	445.139446	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H+HCOOH"	47.012746
"230391"	426.14894	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+3H2O+2H"	56.04448
"1517361"	459.19149	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+IsoProp+H"	61.06479
"418139"	429.102888	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+Na+K"	61.952376
"771599"	628.166238	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+Na+K"	61.952376
"1669262"	230.039538	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Na+K"	61.952376
"252865"	860.269168	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+ACN+Na"	64.015768
"1226542"	462.142468	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+ACN+Na"	64.015768
"1713044"	462.165993	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+NH4+HCOOH"	64.039293
"1178973"	155.698118	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+3Na"	68.967654
"1650930"	467.121388	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Na+HCOOH"	68.994688
"158038"	873.17244	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+2K-H"	76.91904
"606353"	1271.29914	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+2K-H"	76.91904
"1096335"	475.04574	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2K-H"	76.91904
"150964"	437.089858	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"2M+2K"	77.926316
"588337"	636.153208	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"3M+2K"	77.926316
"1080506"	238.026508	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2K"	77.926316
"1110435"	477.060292	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2K+H"	78.933592
"1345726"	477.147907	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+DMSO+H"	79.021207
"1016443"	481.187076	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2ACN+H"	83.060376
"1534569"	482.180708	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+IsoProp+Na+H"	84.054008
"1002109"	241.097176	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+2ACN+2H"	84.067652
"1596615"	483.095328	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+K+HCOOH"	84.968628
"1425555"	513.126838	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+H+CF3COOH"	115.000138
"1149283"	261.610451	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+3ACN+2H"	125.094202
"1706492"	530.153385	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+NH4+CF3COOH"	132.026685
"1642146"	535.10878	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+Na+CF3COOH"	136.98208
"1576703"	551.08272	"C17097"	"Caulerpin"	"C24H18N2O4"	"398.1267"	"M+K+CF3COOH"	152.95602
"801964"	295.8684	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M"	0
"975134"	276.85001	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-H2O-H"	-19.01839
"67751"	196.238324	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M-3H"	-3.021828
"511685"	294.861124	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M-3H"	-3.021828
"893499"	97.615524	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-3H"	-3.021828
"10255"	294.861124	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M-2H"	-2.014552
"450906"	442.795324	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M-2H"	-2.014552
"823243"	146.926924	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-2H"	-2.014552
"83233"	590.729524	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M-H"	-1.007276
"523890"	886.597924	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M-H"	-1.007276
"907161"	294.861124	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-H"	-1.007276
"56068"	607.756071	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M-2H+NH4"	16.019271
"494538"	903.624471	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M-2H+NH4"	16.019271
"874888"	311.887671	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-2H+NH4"	16.019271
"42424"	612.711466	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M-2H+Na"	20.974666
"478703"	908.579866	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M-2H+Na"	20.974666
"854318"	316.843066	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-2H+Na"	20.974666
"1619721"	316.843066	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Na-2H"	20.974666
"95764"	312.849463	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M-H+Cl"	33.962126
"535929"	460.783663	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M-H+Cl"	33.962126
"927654"	164.915263	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-H+Cl"	33.962126
"268612"	626.706202	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+Cl"	34.969402
"660905"	922.574602	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+Cl"	34.969402
"1274158"	330.837802	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Cl"	34.969402
"17084"	628.685406	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M-2H+K"	36.948606
"457124"	924.553806	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M-2H+K"	36.948606
"842232"	332.817006	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-2H+K"	36.948606
"1565354"	332.817006	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+K-2H"	36.948606
"952509"	340.866594	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-H+HCOOH"	44.998194
"371818"	636.735001	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+HCOOH-H"	44.998201
"355703"	650.750651	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+Hac-H"	59.013851
"1500162"	354.882251	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Hac-H"	59.013851
"964421"	362.848551	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-H+NaCOOH"	66.980151
"118796"	330.837802	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+2Cl"	69.938804
"562002"	478.772002	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+2Cl"	69.938804
"1029342"	182.903602	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2Cl"	69.938804
"1245274"	374.787285	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Br"	78.918885
"1307359"	376.843272	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Cl+HCOOH"	80.974872
"1322303"	398.825229	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Cl+NaCOOH"	102.956829
"914086"	408.853986	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M-H+CF3COOH"	112.985586
"1290064"	444.830664	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Cl+CF3COOH"	148.962264
"1367861"	260.855724	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H-2H2O"	-35.012676
"1383083"	278.8657	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H-H2O"	-17.0027
"283051"	592.744076	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+H"	1.007276
"676003"	888.612476	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+H"	1.007276
"1353821"	296.875676	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H"	1.007276
"127442"	296.875676	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+2H"	2.014552
"567239"	444.809876	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+2H"	2.014552
"1037495"	148.941476	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2H"	2.014552
"204504"	198.252876	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+3H"	3.021828
"644468"	296.875676	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+3H"	3.021828
"1163812"	99.630076	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+3H"	3.021828
"424535"	609.770623	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+NH4"	18.033823
"786013"	905.639023	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+NH4"	18.033823
"1681427"	313.902223	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+NH4"	18.033823
"330136"	305.3889495	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+H+NH4"	19.041099
"723286"	453.3231495	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+H+NH4"	19.041099
"1477597"	157.4547495	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H+NH4"	19.041099
"395188"	614.726018	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+Na"	22.989218
"754968"	910.594418	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+Na"	22.989218
"1605380"	318.857618	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Na"	22.989218
"319428"	307.866647	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+H+Na"	23.996494
"711120"	455.800847	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+H+Na"	23.996494
"1474422"	159.932447	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H+Na"	23.996494
"1063292"	106.95739	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2H+Na"	25.00377
"1267160"	328.901886	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+CH3OH+H"	33.033486
"386828"	630.699958	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+K"	38.963158
"747820"	926.568358	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+K"	38.963158
"1553163"	334.831558	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+K"	38.963158
"312162"	315.853617	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+H+K"	39.970434
"706407"	463.787817	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+H+K"	39.970434
"1459866"	167.919417	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H+K"	39.970434
"248463"	633.770626	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+ACN+H"	42.033826
"1218986"	337.902226	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+ACN+H"	42.033826
"1206880"	169.454751	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+ACN+2H"	43.041102
"203400"	636.70796	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+2Na-H"	44.97116
"636398"	932.57636	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+2Na-H"	44.97116
"1134802"	340.83956	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2Na-H"	44.97116
"181007"	318.857618	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+2Na"	45.978436
"618381"	466.791818	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+2Na"	45.978436
"1121158"	170.923418	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2Na"	45.978436
"1402861"	114.284704	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H+2Na"	46.985712
"1432789"	342.881146	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H+HCOOH"	47.012746
"222848"	323.89064	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+3H2O+2H"	56.04448
"1512003"	356.93319	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+IsoProp+H"	61.06479
"413875"	326.844588	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+Na+K"	61.952376
"772315"	474.778788	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+Na+K"	61.952376
"1666942"	178.910388	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Na+K"	61.952376
"253705"	655.752568	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+ACN+Na"	64.015768
"1226168"	359.884168	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+ACN+Na"	64.015768
"1713114"	359.907693	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+NH4+HCOOH"	64.039293
"1183583"	121.612018	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+3Na"	68.967654
"1653476"	364.863088	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Na+HCOOH"	68.994688
"162527"	668.65584	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+2K-H"	76.91904
"607556"	964.52424	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+2K-H"	76.91904
"1093165"	372.78744	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2K-H"	76.91904
"147794"	334.831558	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"2M+2K"	77.926316
"583344"	482.765758	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"3M+2K"	77.926316
"1079523"	186.897358	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2K"	77.926316
"1109450"	374.801992	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2K+H"	78.933592
"1344743"	374.889607	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+DMSO+H"	79.021207
"1015461"	378.928776	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2ACN+H"	83.060376
"1537233"	379.922408	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+IsoProp+Na+H"	84.054008
"998942"	189.968026	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+2ACN+2H"	84.067652
"1591260"	380.837028	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+K+HCOOH"	84.968628
"1419106"	410.868538	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+H+CF3COOH"	115.000138
"1160332"	210.481301	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+3ACN+2H"	125.094202
"1703320"	427.895085	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+NH4+CF3COOH"	132.026685
"1642256"	432.85048	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+Na+CF3COOH"	136.98208
"1576813"	448.82442	"C17098"	"Lanosol;23-Dibromo-45-dihydroxybenzyl alcohol"	"C7H6Br2O3"	"295.8684"	"M+K+CF3COOH"	152.95602
"802437"	336.8949	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M"	0
"977430"	317.87651	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-H2O-H"	-19.01839
"68954"	223.589324	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M-3H"	-3.021828
"506326"	335.887624	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M-3H"	-3.021828
"891785"	111.291024	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-3H"	-3.021828
"11823"	335.887624	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M-2H"	-2.014552
"451016"	504.335074	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M-2H"	-2.014552
"825539"	167.440174	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-2H"	-2.014552
"83343"	672.782524	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M-H"	-1.007276
"524000"	1009.677424	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M-H"	-1.007276
"907271"	335.887624	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-H"	-1.007276
"57272"	689.809071	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M-2H+NH4"	16.019271
"492463"	1026.703971	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M-2H+NH4"	16.019271
"874633"	352.914171	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-2H+NH4"	16.019271
"41441"	694.764466	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M-2H+Na"	20.974666
"477720"	1031.659366	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M-2H+Na"	20.974666
"853335"	357.869566	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-2H+Na"	20.974666
"1619344"	357.869566	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Na-2H"	20.974666
"95137"	353.875963	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M-H+Cl"	33.962126
"535552"	522.323413	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M-H+Cl"	33.962126
"927725"	185.428513	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-H+Cl"	33.962126
"267499"	708.759202	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+Cl"	34.969402
"660529"	1045.654102	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+Cl"	34.969402
"1273295"	371.864302	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Cl"	34.969402
"16458"	710.738406	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M-2H+K"	36.948606
"456141"	1047.633306	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M-2H+K"	36.948606
"842340"	373.843506	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-2H+K"	36.948606
"1565828"	373.843506	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+K-2H"	36.948606
"953347"	381.893094	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-H+HCOOH"	44.998194
"369377"	718.788001	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+HCOOH-H"	44.998201
"353625"	732.803651	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+Hac-H"	59.013851
"1506833"	395.908751	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Hac-H"	59.013851
"965624"	403.875051	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-H+NaCOOH"	66.980151
"114896"	371.864302	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+2Cl"	69.938804
"558466"	540.311752	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+2Cl"	69.938804
"1025807"	203.416852	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2Cl"	69.938804
"1245384"	415.813785	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Br"	78.918885
"1308561"	417.869772	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Cl+HCOOH"	80.974872
"1322412"	439.851729	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Cl+NaCOOH"	102.956829
"913831"	449.880486	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M-H+CF3COOH"	112.985586
"1288672"	485.857164	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Cl+CF3COOH"	148.962264
"1367971"	301.882224	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H-2H2O"	-35.012676
"1383072"	319.8922	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H-H2O"	-17.0027
"282873"	674.797076	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+H"	1.007276
"676723"	1011.691976	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+H"	1.007276
"1353567"	337.902176	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H"	1.007276
"127307"	337.902176	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+2H"	2.014552
"566742"	506.349626	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+2H"	2.014552
"1037608"	169.454726	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2H"	2.014552
"204535"	225.603876	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+3H"	3.021828
"644698"	337.902176	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+3H"	3.021828
"1162906"	113.305576	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+3H"	3.021828
"424332"	691.823623	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+NH4"	18.033823
"785885"	1028.718523	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+NH4"	18.033823
"1681524"	354.928723	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+NH4"	18.033823
"329989"	346.4154495	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+H+NH4"	19.041099
"723523"	514.8628995	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+H+NH4"	19.041099
"1479170"	177.9679995	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H+NH4"	19.041099
"395420"	696.779018	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+Na"	22.989218
"754958"	1033.673918	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+Na"	22.989218
"1606584"	359.884118	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Na"	22.989218
"322818"	348.893147	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+H+Na"	23.996494
"713053"	517.340597	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+H+Na"	23.996494
"1473439"	180.445697	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H+Na"	23.996494
"1063402"	120.63289	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2H+Na"	25.00377
"1268362"	369.928386	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+CH3OH+H"	33.033486
"385844"	712.752958	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+K"	38.963158
"745745"	1049.647858	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+K"	38.963158
"1551817"	375.858058	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+K"	38.963158
"310450"	356.880117	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+H+K"	39.970434
"705059"	525.327567	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+H+K"	39.970434
"1458514"	188.432667	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H+K"	39.970434
"249302"	715.823626	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+ACN+H"	42.033826
"1222377"	378.928726	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+ACN+H"	42.033826
"1205167"	189.968001	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+ACN+2H"	43.041102
"202050"	718.76096	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+2Na-H"	44.97116
"638694"	1055.65586	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+2Na-H"	44.97116
"1138922"	381.86606	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2Na-H"	44.97116
"178932"	359.884118	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+2Na"	45.978436
"617033"	528.331568	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+2Na"	45.978436
"1118111"	191.436668	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2Na"	45.978436
"1409896"	127.960204	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H+2Na"	46.985712
"1437638"	383.907646	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H+HCOOH"	47.012746
"226239"	364.91714	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+3H2O+2H"	56.04448
"1519767"	397.95969	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+IsoProp+H"	61.06479
"418361"	367.871088	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+Na+K"	61.952376
"772794"	536.318538	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+Na+K"	61.952376
"1668027"	199.423638	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Na+K"	61.952376
"251992"	737.805568	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+ACN+Na"	64.015768
"1226889"	400.910668	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+ACN+Na"	64.015768
"1715046"	400.934193	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+NH4+HCOOH"	64.039293
"1180413"	135.287518	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+3Na"	68.967654
"1653586"	405.889588	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Na+HCOOH"	68.994688
"162636"	750.70884	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+2K-H"	76.91904
"609853"	1087.60374	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+2K-H"	76.91904
"1093275"	413.81394	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2K-H"	76.91904
"147904"	375.858058	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"2M+2K"	77.926316
"587463"	544.305508	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"3M+2K"	77.926316
"1080726"	207.410608	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2K"	77.926316
"1107373"	415.828492	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2K+H"	78.933592
"1345947"	415.916107	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+DMSO+H"	79.021207
"1018123"	419.955276	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2ACN+H"	83.060376
"1536976"	420.948908	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+IsoProp+Na+H"	84.054008
"997957"	210.481276	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+2ACN+2H"	84.067652
"1590276"	421.863528	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+K+HCOOH"	84.968628
"1417029"	451.895038	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+H+CF3COOH"	115.000138
"1157160"	230.994551	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+3ACN+2H"	125.094202
"1697191"	468.921585	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+NH4+CF3COOH"	132.026685
"1642366"	473.87698	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+Na+CF3COOH"	136.98208
"1576923"	489.85092	"C17099"	"Aeroplysinin 1"	"C9H9Br2NO3"	"336.8949"	"M+K+CF3COOH"	152.95602
"802184"	461.8102	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M"	0
"976447"	442.79181	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-H2O-H"	-19.01839
"67971"	306.866190666667	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M-3H"	-3.021828
"505342"	460.802924	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M-3H"	-3.021828
"891895"	152.929457333333	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-3H"	-3.021828
"9377"	460.802924	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M-2H"	-2.014552
"446751"	691.708024	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M-2H"	-2.014552
"821276"	229.897824	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-2H"	-2.014552
"80174"	922.613124	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M-H"	-1.007276
"522287"	1384.423324	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M-H"	-1.007276
"906652"	460.802924	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-H"	-1.007276
"57381"	939.639671	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M-2H+NH4"	16.019271
"494757"	1401.449871	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M-2H+NH4"	16.019271
"873650"	477.829471	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-2H+NH4"	16.019271
"38271"	944.595066	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M-2H+Na"	20.974666
"480017"	1406.405266	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M-2H+Na"	20.974666
"854538"	482.784866	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-2H+Na"	20.974666
"1619820"	482.784866	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Na-2H"	20.974666
"94767"	478.791263	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M-H+Cl"	33.962126
"536150"	709.696363	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M-H+Cl"	33.962126
"927389"	247.886163	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-H+Cl"	33.962126
"267318"	958.589802	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+Cl"	34.969402
"660191"	1420.400002	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+Cl"	34.969402
"1273161"	496.779602	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Cl"	34.969402
"16204"	960.569006	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M-2H+K"	36.948606
"455963"	1422.379206	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M-2H+K"	36.948606
"842450"	498.758806	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-2H+K"	36.948606
"1563752"	498.758806	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+K-2H"	36.948606
"951635"	506.808394	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-H+HCOOH"	44.998194
"367665"	968.618601	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+HCOOH-H"	44.998201
"352642"	982.634251	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+Hac-H"	59.013851
"1507186"	520.824051	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Hac-H"	59.013851
"961726"	528.790351	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-H+NaCOOH"	66.980151
"113549"	496.779602	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+2Cl"	69.938804
"558576"	727.684702	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+2Cl"	69.938804
"1026282"	265.874502	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2Cl"	69.938804
"1245493"	540.729085	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Br"	78.918885
"1307578"	542.785072	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Cl+HCOOH"	80.974872
"1321429"	564.767029	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Cl+NaCOOH"	102.956829
"913577"	574.795786	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M-H+CF3COOH"	112.985586
"1289922"	610.772464	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Cl+CF3COOH"	148.962264
"1367838"	426.797524	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H-2H2O"	-35.012676
"1382943"	444.8075	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H-H2O"	-17.0027
"283312"	924.627676	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+H"	1.007276
"676957"	1386.437876	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+H"	1.007276
"1352585"	462.817476	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H"	1.007276
"127660"	462.817476	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+2H"	2.014552
"566489"	693.722576	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+2H"	2.014552
"1037106"	231.912376	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2H"	2.014552
"204648"	308.880742666667	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+3H"	3.021828
"644932"	462.817476	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+3H"	3.021828
"1163059"	154.944009333333	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+3H"	3.021828
"424309"	941.654223	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+NH4"	18.033823
"786116"	1403.464423	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+NH4"	18.033823
"1681839"	479.844023	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+NH4"	18.033823
"330013"	471.3307495	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+H+NH4"	19.041099
"723999"	702.2358495	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+H+NH4"	19.041099
"1478915"	240.4256495	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H+NH4"	19.041099
"394313"	946.609618	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+Na"	22.989218
"763701"	1408.419818	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+Na"	22.989218
"1610705"	484.799418	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Na"	22.989218
"317461"	473.808447	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+H+Na"	23.996494
"713163"	704.713547	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+H+Na"	23.996494
"1472453"	242.903347	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H+Na"	23.996494
"1064609"	162.271323333333	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2H+Na"	25.00377
"1265193"	494.843686	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+CH3OH+H"	33.033486
"384858"	962.583558	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+K"	38.963158
"744760"	1424.393758	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+K"	38.963158
"1550104"	500.773358	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+K"	38.963158
"310196"	481.795417	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+H+K"	39.970434
"704804"	712.700517	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+H+K"	39.970434
"1453520"	250.890317	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H+K"	39.970434
"248683"	965.654226	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+ACN+H"	42.033826
"1221759"	503.844026	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+ACN+H"	42.033826
"1204913"	252.425651	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+ACN+2H"	43.041102
"201797"	968.59156	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+2Na-H"	44.97116
"639899"	1430.40176	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+2Na-H"	44.97116
"1139032"	506.78136	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2Na-H"	44.97116
"175396"	484.799418	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+2Na"	45.978436
"615319"	715.704518	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+2Na"	45.978436
"1121014"	253.894318	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2Na"	45.978436
"1406726"	169.598637333333	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H+2Na"	46.985712
"1436655"	508.822946	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H+HCOOH"	47.012746
"226349"	489.83244	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+3H2O+2H"	56.04448
"1519876"	522.87499	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+IsoProp+H"	61.06479
"419565"	492.786388	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+Na+K"	61.952376
"772902"	723.691488	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+Na+K"	61.952376
"1665720"	261.881288	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Na+K"	61.952376
"252102"	987.636168	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+ACN+Na"	64.015768
"1226272"	525.825968	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+ACN+Na"	64.015768
"1713334"	525.849493	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+NH4+HCOOH"	64.039293
"1180523"	176.925951333333	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+3Na"	68.967654
"1652603"	530.804888	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Na+HCOOH"	68.994688
"161653"	1000.53944	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+2K-H"	76.91904
"600484"	1462.34964	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+2K-H"	76.91904
"1090104"	538.72924	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2K-H"	76.91904
"150200"	500.773358	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"2M+2K"	77.926316
"585386"	731.678458	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"3M+2K"	77.926316
"1075367"	269.868258	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2K"	77.926316
"1104202"	540.743792	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2K+H"	78.933592
"1342774"	540.831407	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+DMSO+H"	79.021207
"1011304"	544.870576	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2ACN+H"	83.060376
"1535992"	545.864208	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+IsoProp+Na+H"	84.054008
"999159"	272.938926	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+2ACN+2H"	84.067652
"1587831"	546.778828	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+K+HCOOH"	84.968628
"1416167"	576.810338	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+H+CF3COOH"	115.000138
"1157270"	293.452201	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+3ACN+2H"	125.094202
"1698072"	593.836885	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+NH4+CF3COOH"	132.026685
"1642476"	598.79228	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+Na+CF3COOH"	136.98208
"1577033"	614.76622	"C17100"	"Thelepin"	"C14H9Br3O3"	"461.8102"	"M+K+CF3COOH"	152.95602
"801686"	214.0226	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M"	0
"976557"	195.00421	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-H2O-H"	-19.01839
"65894"	141.674457333333	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M-3H"	-3.021828
"504360"	213.015324	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M-3H"	-3.021828
"884350"	70.3335906666667	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-3H"	-3.021828
"9487"	213.015324	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M-2H"	-2.014552
"444673"	320.026624	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M-2H"	-2.014552
"820293"	106.004024	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-2H"	-2.014552
"80284"	427.037924	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M-H"	-1.007276
"518870"	641.060524	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M-H"	-1.007276
"906397"	213.015324	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-H"	-1.007276
"54211"	444.064471	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M-2H+NH4"	16.019271
"494865"	658.087071	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M-2H+NH4"	16.019271
"872667"	230.041871	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-2H+NH4"	16.019271
"37286"	449.019866	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M-2H+Na"	20.974666
"476845"	663.042466	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M-2H+Na"	20.974666
"853554"	234.997266	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-2H+Na"	20.974666
"1618957"	234.997266	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Na-2H"	20.974666
"96335"	231.003663	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M-H+Cl"	33.962126
"535895"	338.014963	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M-H+Cl"	33.962126
"927090"	123.992363	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-H+Cl"	33.962126
"267193"	463.014602	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+Cl"	34.969402
"659975"	677.037202	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+Cl"	34.969402
"1272799"	248.992002	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Cl"	34.969402
"15759"	464.993806	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M-2H+K"	36.948606
"455786"	679.016406	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M-2H+K"	36.948606
"836728"	250.971206	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-2H+K"	36.948606
"1558395"	250.971206	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+K-2H"	36.948606
"944818"	259.020794	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-H+HCOOH"	44.998194
"363036"	473.043401	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+HCOOH-H"	44.998201
"349472"	487.059051	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+Hac-H"	59.013851
"1496117"	273.036451	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Hac-H"	59.013851
"962927"	281.002751	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-H+NaCOOH"	66.980151
"113291"	248.992002	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+2Cl"	69.938804
"553582"	356.003302	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+2Cl"	69.938804
"1023472"	141.980702	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2Cl"	69.938804
"1241994"	292.941485	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Br"	78.918885
"1304199"	294.997472	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Cl+HCOOH"	80.974872
"1321538"	316.979429	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Cl+NaCOOH"	102.956829
"912835"	327.008186	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M-H+CF3COOH"	112.985586
"1289908"	362.984864	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Cl+CF3COOH"	148.962264
"1367458"	179.009924	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H-2H2O"	-35.012676
"1383737"	197.0199	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H-H2O"	-17.0027
"283544"	429.052476	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+H"	1.007276
"676332"	643.075076	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+H"	1.007276
"1352331"	215.029876	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H"	1.007276
"126431"	215.029876	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+2H"	2.014552
"566964"	322.041176	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+2H"	2.014552
"1037463"	108.018576	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2H"	2.014552
"204636"	143.689009333333	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+3H"	3.021828
"644554"	215.029876	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+3H"	3.021828
"1163128"	72.3481426666667	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+3H"	3.021828
"424865"	446.079023	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+NH4"	18.033823
"786957"	660.101623	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+NH4"	18.033823
"1683046"	232.056423	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+NH4"	18.033823
"330955"	223.5431495	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+H+NH4"	19.041099
"723499"	330.5544495	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+H+NH4"	19.041099
"1478782"	116.5318495	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H+NH4"	19.041099
"395152"	451.034418	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+Na"	22.989218
"755174"	665.057018	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+Na"	22.989218
"1607534"	237.011818	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Na"	22.989218
"317571"	226.020847	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+H+Na"	23.996494
"713273"	333.032147	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+H+Na"	23.996494
"1471470"	119.009547	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H+Na"	23.996494
"1062532"	79.6754566666667	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2H+Na"	25.00377
"1265301"	247.056086	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+CH3OH+H"	33.033486
"382779"	467.008358	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+K"	38.963158
"740495"	681.030958	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+K"	38.963158
"1550212"	252.985758	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+K"	38.963158
"306294"	234.007817	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+H+K"	39.970434
"703089"	341.019117	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+H+K"	39.970434
"1452537"	126.996517	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H+K"	39.970434
"245513"	470.079026	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+ACN+H"	42.033826
"1220046"	256.056426	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+ACN+H"	42.033826
"1203930"	128.531851	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+ACN+2H"	43.041102
"193884"	473.01636	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+2Na-H"	44.97116
"636727"	687.03896	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+2Na-H"	44.97116
"1135496"	258.99376	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2Na-H"	44.97116
"173139"	237.011818	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+2Na"	45.978436
"613606"	344.023118	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+2Na"	45.978436
"1115685"	130.000518	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2Na"	45.978436
"1398811"	87.0027706666667	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H+2Na"	46.985712
"1432026"	261.035346	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H+HCOOH"	47.012746
"220989"	242.04484	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+3H2O+2H"	56.04448
"1510874"	275.08739	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+IsoProp+H"	61.06479
"412383"	244.998788	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+Na+K"	61.952376
"770331"	352.010088	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+Na+K"	61.952376
"1665766"	137.987488	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Na+K"	61.952376
"251600"	492.060968	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+ACN+Na"	64.015768
"1226012"	278.038368	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+ACN+Na"	64.015768
"1713109"	278.061893	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+NH4+HCOOH"	64.039293
"1180627"	94.3300846666667	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+3Na"	68.967654
"1652340"	283.017288	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Na+HCOOH"	68.994688
"158479"	504.96424	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+2K-H"	76.91904
"597216"	718.98684	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+2K-H"	76.91904
"1090214"	290.94164	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2K-H"	76.91904
"150310"	252.985758	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"2M+2K"	77.926316
"585496"	359.997058	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"3M+2K"	77.926316
"1073290"	145.974458	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2K"	77.926316
"1105405"	292.956192	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2K+H"	78.933592
"1341790"	293.043807	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+DMSO+H"	79.021207
"1011414"	297.082976	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2ACN+H"	83.060376
"1531728"	298.076608	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+IsoProp+Na+H"	84.054008
"998175"	149.045126	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+2ACN+2H"	84.067652
"1587453"	298.991228	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+K+HCOOH"	84.968628
"1415305"	329.022738	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+H+CF3COOH"	115.000138
"1157380"	169.558401	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+3ACN+2H"	125.094202
"1698546"	346.049285	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+NH4+CF3COOH"	132.026685
"1642586"	351.00468	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+Na+CF3COOH"	136.98208
"1577143"	366.97862	"C17101"	"35-Dinitroguaiacol"	"C7H6N2O6"	"214.0226"	"M+K+CF3COOH"	152.95602
"804226"	251.9875	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M"	0
"976667"	232.96911	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-H2O-H"	-19.01839
"68191"	166.984390666667	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M-3H"	-3.021828
"513219"	250.980224	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M-3H"	-3.021828
"889932"	82.9885573333333	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-3H"	-3.021828
"10692"	250.980224	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M-2H"	-2.014552
"446975"	376.973974	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M-2H"	-2.014552
"822591"	124.986474	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-2H"	-2.014552
"85863"	502.967724	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M-H"	-1.007276
"519347"	754.955224	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M-H"	-1.007276
"905414"	250.980224	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-H"	-1.007276
"48246"	519.994271	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M-2H+NH4"	16.019271
"493881"	771.981771	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M-2H+NH4"	16.019271
"869497"	268.006771	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-2H+NH4"	16.019271
"37399"	524.949666	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M-2H+Na"	20.974666
"476958"	776.937166	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M-2H+Na"	20.974666
"850385"	272.962166	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-2H+Na"	20.974666
"1618573"	272.962166	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Na-2H"	20.974666
"94538"	268.968563	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M-H+Cl"	33.962126
"534827"	394.962313	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M-H+Cl"	33.962126
"927164"	142.974813	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-H+Cl"	33.962126
"267296"	538.944402	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+Cl"	34.969402
"660120"	790.931902	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+Cl"	34.969402
"1273013"	286.956902	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Cl"	34.969402
"16054"	540.923606	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M-2H+K"	36.948606
"456718"	792.911106	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M-2H+K"	36.948606
"836112"	288.936106	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-2H+K"	36.948606
"1558138"	288.936106	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+K-2H"	36.948606
"944562"	296.985694	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-H+HCOOH"	44.998194
"361572"	548.973201	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+HCOOH-H"	44.998201
"345788"	562.988851	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+Hac-H"	59.013851
"1492951"	311.001351	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Hac-H"	59.013851
"958940"	318.967651	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-H+NaCOOH"	66.980151
"110219"	286.956902	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+2Cl"	69.938804
"552963"	412.950652	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+2Cl"	69.938804
"1022486"	160.963152	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2Cl"	69.938804
"1241983"	330.906385	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Br"	78.918885
"1305609"	332.962372	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Cl+HCOOH"	80.974872
"1320060"	354.944329	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Cl+NaCOOH"	102.956829
"912460"	364.973086	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M-H+CF3COOH"	112.985586
"1290262"	400.949764	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Cl+CF3COOH"	148.962264
"1367065"	216.974824	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H-2H2O"	-35.012676
"1382767"	234.9848	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H-H2O"	-17.0027
"282924"	504.982276	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+H"	1.007276
"675661"	756.969776	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+H"	1.007276
"1353168"	252.994776	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H"	1.007276
"126784"	252.994776	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+2H"	2.014552
"566341"	378.988526	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+2H"	2.014552
"1040250"	127.001026	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2H"	2.014552
"205598"	168.998942666667	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+3H"	3.021828
"645038"	252.994776	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+3H"	3.021828
"1163155"	85.0031093333333	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+3H"	3.021828
"424605"	522.008823	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+NH4"	18.033823
"785969"	773.996323	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+NH4"	18.033823
"1681690"	270.021323	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+NH4"	18.033823
"330704"	261.5080495	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+H+NH4"	19.041099
"723077"	387.5017995	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+H+NH4"	19.041099
"1477795"	135.5142995	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H+NH4"	19.041099
"396356"	526.964218	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+Na"	22.989218
"755652"	778.951718	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+Na"	22.989218
"1610924"	274.976718	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Na"	22.989218
"315857"	263.985747	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+H+Na"	23.996494
"715570"	389.979497	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+H+Na"	23.996494
"1473770"	137.991997	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H+Na"	23.996494
"1059360"	92.3304233333333	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2H+Na"	25.00377
"1262131"	285.020986	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+CH3OH+H"	33.033486
"383982"	542.938158	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+K"	38.963158
"744983"	794.925658	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+K"	38.963158
"1552508"	290.950658	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+K"	38.963158
"310778"	271.972717	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+H+K"	39.970434
"697734"	397.966467	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+H+K"	39.970434
"1453741"	145.978967	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H+K"	39.970434
"238333"	546.008826	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+ACN+H"	42.033826
"1215052"	294.021326	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+ACN+H"	42.033826
"1201123"	147.514301	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+ACN+2H"	43.041102
"195088"	548.94616	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+2Na-H"	44.97116
"635744"	800.93366	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+2Na-H"	44.97116
"1134875"	296.95866	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2Na-H"	44.97116
"174882"	274.976718	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+2Na"	45.978436
"613182"	400.970468	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+2Na"	45.978436
"1116488"	148.982968	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2Na"	45.978436
"1400017"	99.6577373333333	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H+2Na"	46.985712
"1432861"	299.000246	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H+HCOOH"	47.012746
"223286"	280.00974	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+3H2O+2H"	56.04448
"1512808"	313.05229	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+IsoProp+H"	61.06479
"409576"	282.963688	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+Na+K"	61.952376
"770055"	408.957438	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+Na+K"	61.952376
"1665587"	156.969938	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Na+K"	61.952376
"251623"	567.990768	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+ACN+Na"	64.015768
"1226112"	316.003268	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+ACN+Na"	64.015768
"1713511"	316.026793	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+NH4+HCOOH"	64.039293
"1181837"	106.985051333333	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+3Na"	68.967654
"1650995"	320.982188	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Na+HCOOH"	68.994688
"165154"	580.89404	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+2K-H"	76.91904
"601433"	832.88154	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+2K-H"	76.91904
"1090324"	328.90654	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2K-H"	76.91904
"145679"	290.950658	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"2M+2K"	77.926316
"583902"	416.944408	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"3M+2K"	77.926316
"1073400"	164.956908	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2K"	77.926316
"1103329"	330.921092	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2K+H"	78.933592
"1339714"	331.008707	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+DMSO+H"	79.021207
"1005975"	335.047876	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2ACN+H"	83.060376
"1526007"	336.041508	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+IsoProp+Na+H"	84.054008
"998287"	168.027576	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+2ACN+2H"	84.067652
"1588054"	336.956128	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+K+HCOOH"	84.968628
"1423923"	366.987638	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+H+CF3COOH"	115.000138
"1159679"	188.540851	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+3ACN+2H"	125.094202
"1710691"	384.014185	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+NH4+CF3COOH"	132.026685
"1642696"	388.96958	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+Na+CF3COOH"	136.98208
"1571335"	404.94352	"C17102"	"Cartilagineal"	"C10H11Cl3O"	"251.9875"	"M+K+CF3COOH"	152.95602
"814180"	333.9294	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M"	0
"982245"	314.91101	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-H2O-H"	-19.01839
"71582"	221.612324	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M-3H"	-3.021828
"511143"	332.922124	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M-3H"	-3.021828
"887857"	110.302524	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-3H"	-3.021828
"14087"	332.922124	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M-2H"	-2.014552
"450365"	499.886824	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M-2H"	-2.014552
"825981"	165.957424	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-2H"	-2.014552
"89257"	666.851524	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M-H"	-1.007276
"526631"	1000.780924	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M-H"	-1.007276
"904431"	332.922124	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-H"	-1.007276
"52244"	683.878071	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M-2H+NH4"	16.019271
"490711"	1017.807471	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M-2H+NH4"	16.019271
"865475"	349.948671	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-2H+NH4"	16.019271
"31668"	688.833466	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M-2H+Na"	20.974666
"475976"	1022.762866	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M-2H+Na"	20.974666
"854142"	354.904066	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-2H+Na"	20.974666
"1623310"	354.904066	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Na-2H"	20.974666
"98745"	350.910463	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M-H+Cl"	33.962126
"538670"	517.875163	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M-H+Cl"	33.962126
"929633"	183.945763	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-H+Cl"	33.962126
"268919"	702.828202	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+Cl"	34.969402
"666446"	1036.757602	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+Cl"	34.969402
"1277389"	368.898802	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Cl"	34.969402
"19217"	704.807406	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M-2H+K"	36.948606
"459508"	1038.736806	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M-2H+K"	36.948606
"835130"	370.878006	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-2H+K"	36.948606
"1560806"	370.878006	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+K-2H"	36.948606
"944312"	378.927594	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-H+HCOOH"	44.998194
"362530"	712.857001	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+HCOOH-H"	44.998201
"346771"	726.872651	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+Hac-H"	59.013851
"1493900"	392.943251	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Hac-H"	59.013851
"961327"	400.909551	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-H+NaCOOH"	66.980151
"116070"	368.898802	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+2Cl"	69.938804
"553804"	535.863502	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+2Cl"	69.938804
"1025522"	201.934102	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2Cl"	69.938804
"1246194"	412.848285	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Br"	78.918885
"1307545"	414.904272	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Cl+HCOOH"	80.974872
"1321395"	436.886229	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Cl+NaCOOH"	102.956829
"912451"	446.914986	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M-H+CF3COOH"	112.985586
"1288603"	482.891664	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Cl+CF3COOH"	148.962264
"1368051"	298.916724	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H-2H2O"	-35.012676
"1384457"	316.9267	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H-H2O"	-17.0027
"284508"	668.866076	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+H"	1.007276
"675864"	1002.795476	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+H"	1.007276
"1352186"	334.936676	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H"	1.007276
"128721"	334.936676	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+2H"	2.014552
"567552"	501.901376	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+2H"	2.014552
"1037932"	167.971976	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2H"	2.014552
"204736"	223.626876	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+3H"	3.021828
"644664"	334.936676	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+3H"	3.021828
"1169231"	112.317076	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+3H"	3.021828
"428128"	685.892623	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+NH4"	18.033823
"785798"	1019.822023	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+NH4"	18.033823
"1681398"	351.963223	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+NH4"	18.033823
"330040"	343.4499495	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+H+NH4"	19.041099
"724088"	510.4146495	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+H+NH4"	19.041099
"1477105"	176.4852495	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H+NH4"	19.041099
"395373"	690.848018	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+Na"	22.989218
"757463"	1024.777418	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+Na"	22.989218
"1606656"	356.918618	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Na"	22.989218
"318883"	345.927647	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+H+Na"	23.996494
"717867"	512.892347	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+H+Na"	23.996494
"1473880"	178.962947	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H+Na"	23.996494
"1061657"	119.64439	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2H+Na"	25.00377
"1263334"	366.962886	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+CH3OH+H"	33.033486
"386278"	706.821958	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+K"	38.963158
"745085"	1040.751358	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+K"	38.963158
"1547146"	372.892558	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+K"	38.963158
"313443"	353.914617	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+H+K"	39.970434
"705500"	520.879317	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+H+K"	39.970434
"1458225"	186.949917	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H+K"	39.970434
"246827"	709.892626	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+ACN+H"	42.033826
"1220629"	375.963226	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+ACN+H"	42.033826
"1201231"	188.485251	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+ACN+2H"	43.041102
"199575"	712.82996	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+2Na-H"	44.97116
"636950"	1046.75936	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+2Na-H"	44.97116
"1132919"	378.90056	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2Na-H"	44.97116
"172988"	356.918618	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+2Na"	45.978436
"615650"	523.883318	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+2Na"	45.978436
"1116721"	189.953918	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2Na"	45.978436
"1401585"	126.971704	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H+2Na"	46.985712
"1431878"	380.942146	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H+HCOOH"	47.012746
"224494"	361.95164	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+3H2O+2H"	56.04448
"1512554"	394.99419	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+IsoProp+H"	61.06479
"411145"	364.905588	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+Na+K"	61.952376
"770193"	531.870288	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+Na+K"	61.952376
"1666275"	197.940888	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Na+K"	61.952376
"253899"	731.874568	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+ACN+Na"	64.015768
"1230982"	397.945168	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+ACN+Na"	64.015768
"1719870"	397.968693	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+NH4+HCOOH"	64.039293
"1186321"	134.299018	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+3Na"	68.967654
"1654394"	402.924088	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Na+HCOOH"	68.994688
"160160"	744.77784	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+2K-H"	76.91904
"603002"	1078.70724	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+2K-H"	76.91904
"1090433"	410.84844	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2K-H"	76.91904
"144698"	372.892558	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"2M+2K"	77.926316
"583284"	539.857258	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"3M+2K"	77.926316
"1073510"	205.927858	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2K"	77.926316
"1103438"	412.862992	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2K+H"	78.933592
"1338731"	412.950607	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+DMSO+H"	79.021207
"1010542"	416.989776	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2ACN+H"	83.060376
"1524778"	417.983408	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+IsoProp+Na+H"	84.054008
"990049"	208.998526	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+2ACN+2H"	84.067652
"1587147"	418.898028	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+K+HCOOH"	84.968628
"1414671"	448.929538	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+H+CF3COOH"	115.000138
"1149947"	229.511801	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+3ACN+2H"	125.094202
"1704966"	465.956085	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+NH4+CF3COOH"	132.026685
"1635513"	470.91148	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+Na+CF3COOH"	136.98208
"1571368"	486.88542	"C17103"	"Costatol"	"C10H14BrCl3O"	"333.9294"	"M+K+CF3COOH"	152.95602
"807727"	391.8581	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M"	0
"979074"	372.83971	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-H2O-H"	-19.01839
"77158"	260.231457333333	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M-3H"	-3.021828
"514533"	390.850824	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M-3H"	-3.021828
"891247"	129.612090666667	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-3H"	-3.021828
"13102"	390.850824	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M-2H"	-2.014552
"451569"	586.779874	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M-2H"	-2.014552
"826091"	194.921774	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-2H"	-2.014552
"90461"	782.708924	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M-H"	-1.007276
"528927"	1174.567024	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M-H"	-1.007276
"905635"	390.850824	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-H"	-1.007276
"54542"	799.735471	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M-2H+NH4"	16.019271
"493008"	1191.593571	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M-2H+NH4"	16.019271
"867530"	407.877371	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-2H+NH4"	16.019271
"32879"	804.690866	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M-2H+Na"	20.974666
"476087"	1196.548966	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M-2H+Na"	20.974666
"852065"	412.832766	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-2H+Na"	20.974666
"1627794"	412.832766	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Na-2H"	20.974666
"99948"	408.839163	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M-H+Cl"	33.962126
"540604"	604.768213	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M-H+Cl"	33.962126
"933025"	212.910113	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-H+Cl"	33.962126
"268665"	818.685602	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+Cl"	34.969402
"665464"	1210.543702	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+Cl"	34.969402
"1276770"	426.827502	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Cl"	34.969402
"20422"	820.664806	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M-2H+K"	36.948606
"458891"	1212.522906	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M-2H+K"	36.948606
"835604"	428.806706	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-2H+K"	36.948606
"1560916"	428.806706	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+K-2H"	36.948606
"944057"	436.856294	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-H+HCOOH"	44.998194
"362274"	828.714401	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+HCOOH-H"	44.998201
"345742"	842.730051	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+Hac-H"	59.013851
"1493039"	450.871951	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Hac-H"	59.013851
"961436"	458.838251	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-H+NaCOOH"	66.980151
"111438"	426.827502	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+2Cl"	69.938804
"550993"	622.756552	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+2Cl"	69.938804
"1022715"	230.898452	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2Cl"	69.938804
"1245210"	470.776985	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Br"	78.918885
"1306928"	472.832972	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Cl+HCOOH"	80.974872
"1321139"	494.814929	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Cl+NaCOOH"	102.956829
"911749"	504.843686	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M-H+CF3COOH"	112.985586
"1288653"	540.820364	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Cl+CF3COOH"	148.962264
"1367099"	356.845424	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H-2H2O"	-35.012676
"1383023"	374.8554	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H-H2O"	-17.0027
"282875"	784.723476	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+H"	1.007276
"675725"	1176.581576	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+H"	1.007276
"1351465"	392.865376	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H"	1.007276
"126136"	392.865376	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+2H"	2.014552
"565792"	588.794426	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+2H"	2.014552
"1037375"	196.936326	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2H"	2.014552
"205214"	262.246009333333	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+3H"	3.021828
"644515"	392.865376	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+3H"	3.021828
"1163088"	131.626642666667	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+3H"	3.021828
"424712"	801.750023	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+NH4"	18.033823
"785867"	1193.608123	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+NH4"	18.033823
"1681545"	409.891923	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+NH4"	18.033823
"331655"	401.3786495	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+H+NH4"	19.041099
"722973"	597.3076995	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+H+NH4"	19.041099
"1478990"	205.4495995	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H+NH4"	19.041099
"395483"	806.705418	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+Na"	22.989218
"757573"	1198.563518	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+Na"	22.989218
"1607860"	414.847318	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Na"	22.989218
"320086"	403.856347	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+H+Na"	23.996494
"713603"	599.785397	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+H+Na"	23.996494
"1469611"	207.927297	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H+Na"	23.996494
"1060673"	138.953956666667	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2H+Na"	25.00377
"1262351"	424.891586	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+CH3OH+H"	33.033486
"383109"	822.679358	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+K"	38.963158
"744102"	1214.537458	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+K"	38.963158
"1547256"	430.821258	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+K"	38.963158
"311000"	411.843317	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+H+K"	39.970434
"705610"	607.772367	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+H+K"	39.970434
"1456148"	215.914267	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H+K"	39.970434
"244750"	825.750026	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+ACN+H"	42.033826
"1218553"	433.891926	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+ACN+H"	42.033826
"1200612"	217.449601	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+ACN+2H"	43.041102
"198592"	828.68736	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+2Na-H"	44.97116
"634874"	1220.54546	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+2Na-H"	44.97116
"1134002"	436.82926	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2Na-H"	44.97116
"174736"	414.847318	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+2Na"	45.978436
"616125"	610.776368	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+2Na"	45.978436
"1116714"	218.918268	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2Na"	45.978436
"1400601"	146.281270666667	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H+2Na"	46.985712
"1432718"	438.870846	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H+HCOOH"	47.012746
"224605"	419.88034	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+3H2O+2H"	56.04448
"1512299"	452.92289	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+IsoProp+H"	61.06479
"412350"	422.834288	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+Na+K"	61.952376
"771884"	618.763338	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+Na+K"	61.952376
"1665976"	226.905238	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Na+K"	61.952376
"253645"	847.731968	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+ACN+Na"	64.015768
"1228906"	455.873868	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+ACN+Na"	64.015768
"1716701"	455.897393	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+NH4+HCOOH"	64.039293
"1185338"	153.608584666667	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+3Na"	68.967654
"1654868"	460.852788	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Na+HCOOH"	68.994688
"160270"	860.63524	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+2K-H"	76.91904
"603112"	1252.49334	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+2K-H"	76.91904
"1093825"	468.77714	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2K-H"	76.91904
"146267"	430.821258	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"2M+2K"	77.926316
"582422"	626.750308	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"3M+2K"	77.926316
"1070825"	234.892208	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2K"	77.926316
"1102819"	470.791692	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2K+H"	78.933592
"1336895"	470.879307	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+DMSO+H"	79.021207
"1010652"	474.918476	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2ACN+H"	83.060376
"1524481"	475.912108	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+IsoProp+Na+H"	84.054008
"990079"	237.962876	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+2ACN+2H"	84.067652
"1588274"	476.826728	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+K+HCOOH"	84.968628
"1415757"	506.858238	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+H+CF3COOH"	115.000138
"1154431"	258.476151	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+3ACN+2H"	125.094202
"1705076"	523.884785	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+NH4+CF3COOH"	132.026685
"1635623"	528.84018	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+Na+CF3COOH"	136.98208
"1571762"	544.81412	"C17104"	"Costatone"	"C10H12Br2Cl2O2"	"391.8581"	"M+K+CF3COOH"	152.95602
"804557"	238.0083	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M"	0
"982464"	218.98991	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-H2O-H"	-19.01839
"77268"	157.664924	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M-3H"	-3.021828
"514643"	237.001024	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M-3H"	-3.021828
"892452"	78.328824	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-3H"	-3.021828
"14306"	237.001024	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M-2H"	-2.014552
"452773"	356.005174	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M-2H"	-2.014552
"828388"	117.996874	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-2H"	-2.014552
"91664"	475.009324	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M-H"	-1.007276
"530131"	713.017624	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M-H"	-1.007276
"903559"	237.001024	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-H"	-1.007276
"55746"	492.035871	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M-2H+NH4"	16.019271
"495305"	730.044171	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M-2H+NH4"	16.019271
"872014"	254.027571	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-2H+NH4"	16.019271
"34084"	496.991266	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M-2H+Na"	20.974666
"477291"	734.999566	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M-2H+Na"	20.974666
"853633"	258.982966	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-2H+Na"	20.974666
"1627904"	258.982966	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Na-2H"	20.974666
"98965"	254.989363	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M-H+Cl"	33.962126
"541078"	373.993513	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M-H+Cl"	33.962126
"932406"	135.985213	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-H+Cl"	33.962126
"269504"	510.986002	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+Cl"	34.969402
"666303"	748.994302	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+Cl"	34.969402
"1277611"	272.977702	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Cl"	34.969402
"19074"	512.965206	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M-2H+K"	36.948606
"457908"	750.973506	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M-2H+K"	36.948606
"836442"	274.956906	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-2H+K"	36.948606
"1561026"	274.956906	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+K-2H"	36.948606
"944165"	283.006494	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-H+HCOOH"	44.998194
"362021"	521.014801	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+HCOOH-H"	44.998201
"346142"	535.030451	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+Hac-H"	59.013851
"1493998"	297.022151	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Hac-H"	59.013851
"960818"	304.988451	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-H+NaCOOH"	66.980151
"110941"	272.977702	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+2Cl"	69.938804
"550292"	391.981852	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+2Cl"	69.938804
"1022457"	153.973552	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2Cl"	69.938804
"1243497"	316.927185	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Br"	78.918885
"1305215"	318.983172	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Cl+HCOOH"	80.974872
"1321254"	340.965129	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Cl+NaCOOH"	102.956829
"915228"	350.993886	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M-H+CF3COOH"	112.985586
"1288894"	386.970564	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Cl+CF3COOH"	148.962264
"1367661"	202.995624	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H-2H2O"	-35.012676
"1382877"	221.0056	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H-H2O"	-17.0027
"282908"	477.023876	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+H"	1.007276
"677516"	715.032176	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+H"	1.007276
"1351457"	239.015576	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H"	1.007276
"126014"	239.015576	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+2H"	2.014552
"565728"	358.019726	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+2H"	2.014552
"1037164"	120.011426	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2H"	2.014552
"208483"	159.679476	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+3H"	3.021828
"644305"	239.015576	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+3H"	3.021828
"1163614"	80.343376	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+3H"	3.021828
"424941"	494.050423	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+NH4"	18.033823
"785936"	732.058723	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+NH4"	18.033823
"1681319"	256.042123	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+NH4"	18.033823
"330058"	247.5288495	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+H+NH4"	19.041099
"723214"	366.5329995	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+H+NH4"	19.041099
"1478128"	128.5246995	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H+NH4"	19.041099
"396690"	499.005818	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+Na"	22.989218
"765343"	737.014118	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+Na"	22.989218
"1606151"	260.997518	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Na"	22.989218
"320199"	250.006547	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+H+Na"	23.996494
"714807"	369.010697	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+H+Na"	23.996494
"1468629"	131.002397	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H+Na"	23.996494
"1059690"	87.67069	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2H+Na"	25.00377
"1260274"	271.041786	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+CH3OH+H"	33.033486
"385405"	514.979758	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+K"	38.963158
"743119"	752.988058	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+K"	38.963158
"1546270"	276.971458	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+K"	38.963158
"306732"	257.993517	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+H+K"	39.970434
"702436"	376.997667	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+H+K"	39.970434
"1454071"	138.989367	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H+K"	39.970434
"240487"	518.050426	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+ACN+H"	42.033826
"1219754"	280.042126	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+ACN+H"	42.033826
"1199628"	140.524701	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+ACN+2H"	43.041102
"191405"	520.98776	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+2Na-H"	44.97116
"638622"	758.99606	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+2Na-H"	44.97116
"1135206"	282.97946	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2Na-H"	44.97116
"173225"	260.997518	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+2Na"	45.978436
"617695"	380.001668	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+2Na"	45.978436
"1119741"	141.993368	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2Na"	45.978436
"1401441"	94.998004	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H+2Na"	46.985712
"1431734"	285.021046	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H+HCOOH"	47.012746
"224715"	266.03054	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+3H2O+2H"	56.04448
"1512777"	299.07309	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+IsoProp+H"	61.06479
"412459"	268.984488	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+Na+K"	61.952376
"772359"	387.988638	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+Na+K"	61.952376
"1665599"	149.980338	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Na+K"	61.952376
"254120"	540.032368	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+ACN+Na"	64.015768
"1229016"	302.024068	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+ACN+Na"	64.015768
"1718997"	302.047593	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+NH4+HCOOH"	64.039293
"1185448"	102.325318	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+3Na"	68.967654
"1654613"	307.002988	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Na+HCOOH"	68.994688
"162568"	552.93564	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+2K-H"	76.91904
"603222"	790.94394	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+2K-H"	76.91904
"1095028"	314.92734	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2K-H"	76.91904
"148563"	276.971458	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"2M+2K"	77.926316
"582291"	395.975608	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"3M+2K"	77.926316
"1070814"	157.967308	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2K"	77.926316
"1101593"	316.941892	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2K+H"	78.933592
"1342230"	317.029507	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+DMSO+H"	79.021207
"1010762"	321.068676	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2ACN+H"	83.060376
"1527066"	322.062308	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+IsoProp+Na+H"	84.054008
"994243"	161.037976	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+2ACN+2H"	84.067652
"1590934"	322.976928	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+K+HCOOH"	84.968628
"1418782"	353.008438	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+H+CF3COOH"	115.000138
"1154541"	181.551251	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+3ACN+2H"	125.094202
"1705186"	370.034985	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+NH4+CF3COOH"	132.026685
"1635369"	374.99038	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+Na+CF3COOH"	136.98208
"1571872"	390.96432	"C17105"	"Plocamene D"	"C10H13Cl3"	"238.0083"	"M+K+CF3COOH"	152.95602
"804667"	317.9344	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M"	0
"979294"	298.91601	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-H2O-H"	-19.01839
"74098"	210.948990666667	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M-3H"	-3.021828
"513660"	316.927124	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M-3H"	-3.021828
"892562"	104.970857333333	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-3H"	-3.021828
"12229"	316.927124	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M-2H"	-2.014552
"450696"	475.894324	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M-2H"	-2.014552
"828499"	157.959924	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-2H"	-2.014552
"92747"	634.861524	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M-H"	-1.007276
"531335"	952.795924	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M-H"	-1.007276
"904765"	316.927124	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-H"	-1.007276
"52576"	651.888071	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M-2H+NH4"	16.019271
"495418"	969.822471	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M-2H+NH4"	16.019271
"875405"	333.953671	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-2H+NH4"	16.019271
"36381"	656.843466	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M-2H+Na"	20.974666
"474119"	974.777866	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M-2H+Na"	20.974666
"851191"	338.909066	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-2H+Na"	20.974666
"1626921"	338.909066	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Na-2H"	20.974666
"99075"	334.915463	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M-H+Cl"	33.962126
"537541"	493.882663	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M-H+Cl"	33.962126
"936526"	175.948263	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-H+Cl"	33.962126
"269980"	670.838202	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+Cl"	34.969402
"665320"	988.772602	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+Cl"	34.969402
"1282095"	352.903802	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Cl"	34.969402
"22465"	672.817406	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M-2H+K"	36.948606
"457654"	990.751806	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M-2H+K"	36.948606
"835460"	354.883006	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-2H+K"	36.948606
"1561136"	354.883006	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+K-2H"	36.948606
"942818"	362.932594	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-H+HCOOH"	44.998194
"362252"	680.867001	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+HCOOH-H"	44.998201
"345777"	694.882651	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+Hac-H"	59.013851
"1493137"	376.948251	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Hac-H"	59.013851
"959957"	384.914551	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-H+NaCOOH"	66.980151
"110090"	352.903802	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+2Cl"	69.938804
"550726"	511.871002	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+2Cl"	69.938804
"1021715"	193.936602	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2Cl"	69.938804
"1241741"	396.853285	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Br"	78.918885
"1308971"	398.909272	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Cl+HCOOH"	80.974872
"1322093"	420.891229	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Cl+NaCOOH"	102.956829
"913151"	430.919986	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M-H+CF3COOH"	112.985586
"1290952"	466.896664	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Cl+CF3COOH"	148.962264
"1368016"	282.921724	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H-2H2O"	-35.012676
"1384058"	300.9317	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H-H2O"	-17.0027
"284106"	636.876076	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+H"	1.007276
"676653"	954.810476	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+H"	1.007276
"1351784"	318.941676	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H"	1.007276
"127955"	318.941676	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+2H"	2.014552
"565820"	477.908876	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+2H"	2.014552
"1041782"	159.974476	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2H"	2.014552
"210780"	212.963542666667	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+3H"	3.021828
"644376"	318.941676	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+3H"	3.021828
"1163034"	106.985409333333	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+3H"	3.021828
"424563"	653.902623	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+NH4"	18.033823
"788359"	971.837023	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+NH4"	18.033823
"1682015"	335.968223	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+NH4"	18.033823
"331875"	327.4549495	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+H+NH4"	19.041099
"723080"	486.4221495	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+H+NH4"	19.041099
"1481398"	168.4877495	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H+NH4"	19.041099
"394613"	658.858018	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+Na"	22.989218
"765453"	976.792418	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+Na"	22.989218
"1607354"	340.923618	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Na"	22.989218
"320309"	329.932647	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+H+Na"	23.996494
"711635"	488.899847	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+H+Na"	23.996494
"1469831"	170.965447	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H+Na"	23.996494
"1059069"	114.312723333333	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2H+Na"	25.00377
"1264754"	350.967886	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+CH3OH+H"	33.033486
"384420"	674.831958	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+K"	38.963158
"744322"	992.766358	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+K"	38.963158
"1546380"	356.897558	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+K"	38.963158
"304652"	337.919617	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+H+K"	39.970434
"699266"	496.886817	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+H+K"	39.970434
"1453087"	178.952417	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H+K"	39.970434
"242054"	677.902626	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+ACN+H"	42.033826
"1215855"	359.968226	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+ACN+H"	42.033826
"1197552"	180.487751	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+ACN+2H"	43.041102
"189814"	680.83996	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+2Na-H"	44.97116
"638368"	998.77436	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+2Na-H"	44.97116
"1141876"	362.90556	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2Na-H"	44.97116
"173700"	340.923618	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+2Na"	45.978436
"616709"	499.890818	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+2Na"	45.978436
"1116569"	181.956418	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2Na"	45.978436
"1401918"	121.640037333333	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H+2Na"	46.985712
"1431355"	364.947146	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H+HCOOH"	47.012746
"223729"	345.95664	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+3H2O+2H"	56.04448
"1511794"	378.99919	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+IsoProp+H"	61.06479
"411475"	348.910588	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+Na+K"	61.952376
"772469"	507.877788	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+Na+K"	61.952376
"1665672"	189.943388	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Na+K"	61.952376
"253499"	699.884568	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+ACN+Na"	64.015768
"1229126"	381.950168	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+ACN+Na"	64.015768
"1715828"	381.973693	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+NH4+HCOOH"	64.039293
"1182642"	128.967351333333	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+3Na"	68.967654
"1655087"	386.929088	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Na+HCOOH"	68.994688
"165594"	712.78784	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+2K-H"	76.91904
"600416"	1030.72224	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+2K-H"	76.91904
"1088942"	394.85344	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2K-H"	76.91904
"145393"	356.897558	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"2M+2K"	77.926316
"582756"	515.864758	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"3M+2K"	77.926316
"1069099"	197.930358	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2K"	77.926316
"1100489"	396.867992	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2K+H"	78.933592
"1336141"	396.955607	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+DMSO+H"	79.021207
"1006240"	400.994776	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2ACN+H"	83.060376
"1524494"	401.988408	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+IsoProp+Na+H"	84.054008
"994353"	201.001026	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+2ACN+2H"	84.067652
"1588248"	402.903028	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+K+HCOOH"	84.968628
"1416706"	432.934538	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+H+CF3COOH"	115.000138
"1151371"	221.514301	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+3ACN+2H"	125.094202
"1705296"	449.961085	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+NH4+CF3COOH"	132.026685
"1635479"	454.91648	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+Na+CF3COOH"	136.98208
"1572225"	470.89042	"C17106"	"Mertensene"	"C10H14BrCl3"	"317.9344"	"M+K+CF3COOH"	152.95602
"801860"	351.8955	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M"	0
"979404"	332.87711	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-H2O-H"	-19.01839
"70928"	233.589724	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M-3H"	-3.021828
"513770"	350.888224	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M-3H"	-3.021828
"891577"	116.291224	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-3H"	-3.021828
"10152"	350.888224	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M-2H"	-2.014552
"454085"	526.835974	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M-2H"	-2.014552
"830795"	174.940474	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-2H"	-2.014552
"93102"	702.783724	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M-H"	-1.007276
"532296"	1054.679224	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M-H"	-1.007276
"910223"	350.888224	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-H"	-1.007276
"62290"	719.810271	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M-2H+NH4"	16.019271
"500995"	1071.705771	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M-2H+NH4"	16.019271
"876609"	367.914771	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-2H+NH4"	16.019271
"41230"	724.765666	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M-2H+Na"	20.974666
"479697"	1076.661166	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M-2H+Na"	20.974666
"855312"	372.870166	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-2H+Na"	20.974666
"1628124"	372.870166	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Na-2H"	20.974666
"99185"	368.876563	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M-H+Cl"	33.962126
"539839"	544.824313	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M-H+Cl"	33.962126
"941009"	192.928813	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-H+Cl"	33.962126
"277381"	738.760402	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+Cl"	34.969402
"668710"	1090.655902	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+Cl"	34.969402
"1285485"	386.864902	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Cl"	34.969402
"25855"	740.739606	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M-2H+K"	36.948606
"459951"	1092.635106	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M-2H+K"	36.948606
"837756"	388.844106	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-2H+K"	36.948606
"1563433"	388.844106	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+K-2H"	36.948606
"946940"	396.893694	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-H+HCOOH"	44.998194
"370624"	748.789201	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+HCOOH-H"	44.998201
"349039"	762.804851	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+Hac-H"	59.013851
"1493492"	410.909351	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Hac-H"	59.013851
"963226"	418.875651	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-H+NaCOOH"	66.980151
"110551"	386.864902	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+2Cl"	69.938804
"557162"	562.812652	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+2Cl"	69.938804
"1028148"	210.917152	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2Cl"	69.938804
"1251007"	430.814385	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Br"	78.918885
"1311268"	432.870372	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Cl+HCOOH"	80.974872
"1322204"	454.852329	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Cl+NaCOOH"	102.956829
"923102"	464.881086	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M-H+CF3COOH"	112.985586
"1296529"	500.857764	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Cl+CF3COOH"	148.962264
"1372504"	316.882824	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H-2H2O"	-35.012676
"1388906"	334.8928	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H-H2O"	-17.0027
"285674"	704.798276	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+H"	1.007276
"676278"	1056.693776	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+H"	1.007276
"1354081"	352.902776	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H"	1.007276
"128429"	352.902776	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+2H"	2.014552
"565715"	528.850526	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+2H"	2.014552
"1041892"	176.955026	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2H"	2.014552
"207610"	235.604276	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+3H"	3.021828
"647170"	352.902776	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+3H"	3.021828
"1162790"	118.305776	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+3H"	3.021828
"424553"	721.824823	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+NH4"	18.033823
"788469"	1073.720323	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+NH4"	18.033823
"1681637"	369.929323	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+NH4"	18.033823
"331134"	361.4160495	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+H+NH4"	19.041099
"724772"	537.3637995	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+H+NH4"	19.041099
"1481508"	185.4682995	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H+NH4"	19.041099
"398003"	726.780218	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+Na"	22.989218
"762283"	1078.675718	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+Na"	22.989218
"1606006"	374.884718	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Na"	22.989218
"317139"	363.893747	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+H+Na"	23.996494
"712838"	539.841497	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+H+Na"	23.996494
"1466661"	187.945997	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H+Na"	23.996494
"1056993"	125.63309	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2H+Na"	25.00377
"1262677"	384.928986	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+CH3OH+H"	33.033486
"381251"	742.754158	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+K"	38.963158
"742246"	1094.649658	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+K"	38.963158
"1544304"	390.858658	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+K"	38.963158
"305855"	371.880717	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+H+K"	39.970434
"699370"	547.828467	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+H+K"	39.970434
"1455383"	195.932967	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H+K"	39.970434
"239612"	745.824826	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+ACN+H"	42.033826
"1211227"	393.929326	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+ACN+H"	42.033826
"1196568"	197.468301	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+ACN+2H"	43.041102
"190167"	748.76216	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+2Na-H"	44.97116
"636655"	1100.65766	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+2Na-H"	44.97116
"1139432"	396.86666	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2Na-H"	44.97116
"174339"	374.884718	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+2Na"	45.978436
"614268"	550.832468	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+2Na"	45.978436
"1119596"	198.936968	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2Na"	45.978436
"1400567"	132.960404	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H+2Na"	46.985712
"1430128"	398.908246	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H+HCOOH"	47.012746
"222744"	379.91774	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+3H2O+2H"	56.04448
"1511175"	412.96029	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+IsoProp+H"	61.06479
"409520"	382.871688	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+Na+K"	61.952376
"771486"	558.819438	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+Na+K"	61.952376
"1665984"	206.923938	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Na+K"	61.952376
"252151"	767.806768	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+ACN+Na"	64.015768
"1227050"	415.911268	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+ACN+Na"	64.015768
"1715938"	415.934793	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+NH4+HCOOH"	64.039293
"1181658"	140.287718	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+3Na"	68.967654
"1651917"	420.890188	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Na+HCOOH"	68.994688
"162788"	780.71004	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+2K-H"	76.91904
"600162"	1132.60554	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+2K-H"	76.91904
"1090145"	428.81454	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2K-H"	76.91904
"143680"	390.858658	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"2M+2K"	77.926316
"581395"	566.806408	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"3M+2K"	77.926316
"1068634"	214.910908	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2K"	77.926316
"1102786"	430.829092	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2K+H"	78.933592
"1337223"	430.916707	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+DMSO+H"	79.021207
"1006037"	434.955876	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2ACN+H"	83.060376
"1524729"	435.949508	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+IsoProp+Na+H"	84.054008
"996649"	217.981576	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+2ACN+2H"	84.067652
"1588237"	436.864128	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+K+HCOOH"	84.968628
"1419002"	466.895638	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+H+CF3COOH"	115.000138
"1152574"	238.494851	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+3ACN+2H"	125.094202
"1705406"	483.922185	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+NH4+CF3COOH"	132.026685
"1637412"	488.87758	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+Na+CF3COOH"	136.98208
"1571971"	504.85152	"C17107"	"Violacene"	"C10H13BrCl4"	"351.8955"	"M+K+CF3COOH"	152.95602
"802092"	238.0083	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M"	0
"979514"	218.98991	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-H2O-H"	-19.01839
"71038"	157.664924	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M-3H"	-3.021828
"510600"	237.001024	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M-3H"	-3.021828
"889501"	78.328824	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-3H"	-3.021828
"8075"	237.001024	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M-2H"	-2.014552
"453102"	356.005174	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M-2H"	-2.014552
"830664"	117.996874	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-2H"	-2.014552
"89807"	475.009324	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M-H"	-1.007276
"532526"	713.017624	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M-H"	-1.007276
"910087"	237.001024	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-H"	-1.007276
"62032"	492.035871	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M-2H+NH4"	16.019271
"500012"	730.044171	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M-2H+NH4"	16.019271
"874532"	254.027571	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-2H+NH4"	16.019271
"40247"	496.991266	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M-2H+Na"	20.974666
"479807"	734.999566	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M-2H+Na"	20.974666
"858702"	258.982966	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-2H+Na"	20.974666
"1626047"	258.982966	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Na-2H"	20.974666
"95406"	254.989363	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M-H+Cl"	33.962126
"536669"	373.993513	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M-H+Cl"	33.962126
"941119"	135.985213	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-H+Cl"	33.962126
"278584"	510.986002	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+Cl"	34.969402
"668820"	748.994302	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+Cl"	34.969402
"1281221"	272.977702	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Cl"	34.969402
"23778"	512.965206	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M-2H+K"	36.948606
"460061"	750.973506	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M-2H+K"	36.948606
"836772"	274.956906	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-2H+K"	36.948606
"1561356"	274.956906	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+K-2H"	36.948606
"943518"	283.006494	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-H+HCOOH"	44.998194
"368548"	521.014801	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+HCOOH-H"	44.998201
"347083"	535.030451	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+Hac-H"	59.013851
"1493728"	297.022151	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Hac-H"	59.013851
"963335"	304.988451	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-H+NaCOOH"	66.980151
"118805"	272.977702	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+2Cl"	69.938804
"560552"	391.981852	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+2Cl"	69.938804
"1026071"	153.973552	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2Cl"	69.938804
"1248930"	316.927185	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Br"	78.918885
"1311377"	318.983172	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Cl+HCOOH"	80.974872
"1326686"	340.965129	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Cl+NaCOOH"	102.956829
"922848"	350.993886	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M-H+CF3COOH"	112.985586
"1299919"	386.970564	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Cl+CF3COOH"	148.962264
"1378080"	202.995624	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H-2H2O"	-35.012676
"1394483"	221.0056	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H-H2O"	-17.0027
"286517"	477.023876	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+H"	1.007276
"676753"	715.032176	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+H"	1.007276
"1356380"	239.015576	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H"	1.007276
"128539"	239.015576	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+2H"	2.014552
"566430"	358.019726	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+2H"	2.014552
"1038719"	120.011426	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2H"	2.014552
"211000"	159.679476	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+3H"	3.021828
"649467"	239.015576	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+3H"	3.021828
"1163340"	80.343376	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+3H"	3.021828
"425392"	494.050423	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+NH4"	18.033823
"787486"	732.058723	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+NH4"	18.033823
"1683818"	256.042123	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+NH4"	18.033823
"333189"	247.5288495	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+H+NH4"	19.041099
"724882"	366.5329995	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+H+NH4"	19.041099
"1479066"	128.5246995	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H+NH4"	19.041099
"398114"	499.005818	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+Na"	22.989218
"761299"	737.014118	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+Na"	22.989218
"1605387"	260.997518	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Na"	22.989218
"315788"	250.006547	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+H+Na"	23.996494
"711851"	369.010697	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+H+Na"	23.996494
"1464583"	131.002397	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H+Na"	23.996494
"1057826"	87.67069	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2H+Na"	25.00377
"1259503"	271.041786	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+CH3OH+H"	33.033486
"379536"	514.979758	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+K"	38.963158
"740283"	752.988058	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+K"	38.963158
"1544414"	276.971458	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+K"	38.963158
"307059"	257.993517	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+H+K"	39.970434
"697294"	376.997667	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+H+K"	39.970434
"1458773"	138.989367	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H+K"	39.970434
"240815"	518.050426	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+ACN+H"	42.033826
"1214616"	280.042126	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+ACN+H"	42.033826
"1197406"	140.524701	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+ACN+2H"	43.041102
"192829"	520.98776	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+2Na-H"	44.97116
"632025"	758.99606	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+2Na-H"	44.97116
"1139907"	282.97946	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2Na-H"	44.97116
"183201"	260.997518	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+2Na"	45.978436
"616200"	380.001668	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+2Na"	45.978436
"1119343"	141.993368	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2Na"	45.978436
"1401771"	94.998004	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H+2Na"	46.985712
"1432429"	285.021046	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H+HCOOH"	47.012746
"222853"	266.03054	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+3H2O+2H"	56.04448
"1513108"	299.07309	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+IsoProp+H"	61.06479
"409874"	268.984488	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+Na+K"	61.952376
"770624"	387.988638	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+Na+K"	61.952376
"1666102"	149.980338	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Na+K"	61.952376
"251811"	540.032368	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+ACN+Na"	64.015768
"1228253"	302.024068	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+ACN+Na"	64.015768
"1716048"	302.047593	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+NH4+HCOOH"	64.039293
"1181768"	102.325318	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+3Na"	68.967654
"1652027"	307.002988	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Na+HCOOH"	68.994688
"162534"	552.93564	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+2K-H"	76.91904
"600272"	790.94394	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+2K-H"	76.91904
"1090984"	314.92734	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2K-H"	76.91904
"143790"	276.971458	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"2M+2K"	77.926316
"582004"	395.975608	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"3M+2K"	77.926316
"1068547"	157.967308	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2K"	77.926316
"1102896"	316.941892	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2K+H"	78.933592
"1335751"	317.029507	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+DMSO+H"	79.021207
"1007812"	321.068676	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2ACN+H"	83.060376
"1524516"	322.062308	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+IsoProp+Na+H"	84.054008
"993479"	161.037976	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+2ACN+2H"	84.067652
"1587070"	322.976928	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+K+HCOOH"	84.968628
"1415101"	353.008438	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+H+CF3COOH"	115.000138
"1151589"	181.551251	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+3ACN+2H"	125.094202
"1706609"	370.034985	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+NH4+CF3COOH"	132.026685
"1638251"	374.99038	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+Na+CF3COOH"	136.98208
"1572446"	390.96432	"C17108"	"Plocamene E"	"C10H13Cl3"	"238.0083"	"M+K+CF3COOH"	152.95602
"802810"	317.9344	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M"	0
"976344"	298.91601	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-H2O-H"	-19.01839
"71148"	210.948990666667	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M-3H"	-3.021828
"510710"	316.927124	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M-3H"	-3.021828
"889610"	104.970857333333	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-3H"	-3.021828
"7091"	316.927124	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M-2H"	-2.014552
"449932"	475.894324	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M-2H"	-2.014552
"825548"	157.959924	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-2H"	-2.014552
"89913"	634.861524	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M-H"	-1.007276
"528381"	952.795924	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M-H"	-1.007276
"909464"	316.927124	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-H"	-1.007276
"62587"	651.888071	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M-2H+NH4"	16.019271
"501702"	969.822471	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M-2H+NH4"	16.019271
"877921"	333.953671	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-2H+NH4"	16.019271
"46189"	656.843466	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M-2H+Na"	20.974666
"478824"	974.777866	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M-2H+Na"	20.974666
"853343"	338.909066	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-2H+Na"	20.974666
"1626157"	338.909066	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Na-2H"	20.974666
"95515"	334.915463	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M-H+Cl"	33.962126
"535805"	493.882663	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M-H+Cl"	33.962126
"933574"	175.948263	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-H+Cl"	33.962126
"278694"	670.838202	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+Cl"	34.969402
"668930"	988.772602	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+Cl"	34.969402
"1282424"	352.903802	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Cl"	34.969402
"24981"	672.817406	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M-2H+K"	36.948606
"460170"	990.751806	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M-2H+K"	36.948606
"835788"	354.883006	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-2H+K"	36.948606
"1562558"	354.883006	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+K-2H"	36.948606
"944973"	362.932594	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-H+HCOOH"	44.998194
"367564"	680.867001	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+HCOOH-H"	44.998201
"347193"	694.882651	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+Hac-H"	59.013851
"1493222"	376.948251	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Hac-H"	59.013851
"962352"	384.914551	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-H+NaCOOH"	66.980151
"116728"	352.903802	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+2Cl"	69.938804
"558475"	511.871002	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+2Cl"	69.938804
"1026181"	193.936602	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2Cl"	69.938804
"1244666"	396.853285	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Br"	78.918885
"1312580"	398.909272	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Cl+HCOOH"	80.974872
"1326796"	420.891229	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Cl+NaCOOH"	102.956829
"924051"	430.919986	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M-H+CF3COOH"	112.985586
"1293469"	466.896664	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Cl+CF3COOH"	148.962264
"1376003"	282.921724	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H-2H2O"	-35.012676
"1392406"	300.9317	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H-H2O"	-17.0027
"284682"	636.876076	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+H"	1.007276
"676497"	954.810476	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+H"	1.007276
"1354303"	318.941676	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H"	1.007276
"127555"	318.941676	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+2H"	2.014552
"566139"	477.908876	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+2H"	2.014552
"1038583"	159.974476	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2H"	2.014552
"211110"	212.963542666667	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+3H"	3.021828
"648483"	318.941676	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+3H"	3.021828
"1163692"	106.985409333333	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+3H"	3.021828
"424406"	653.902623	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+NH4"	18.033823
"786623"	971.837023	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+NH4"	18.033823
"1682467"	335.968223	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+NH4"	18.033823
"331112"	327.4549495	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+H+NH4"	19.041099
"724628"	486.4221495	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+H+NH4"	19.041099
"1478448"	168.4877495	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H+NH4"	19.041099
"401503"	658.858018	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+Na"	22.989218
"762503"	976.792418	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+Na"	22.989218
"1607319"	340.923618	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Na"	22.989218
"319542"	329.932647	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+H+Na"	23.996494
"710867"	488.899847	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+H+Na"	23.996494
"1463597"	170.965447	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H+Na"	23.996494
"1055017"	114.312723333333	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2H+Na"	25.00377
"1258516"	350.967886	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+CH3OH+H"	33.033486
"378184"	674.831958	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+K"	38.963158
"740273"	992.766358	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+K"	38.963158
"1544522"	356.897558	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+K"	38.963158
"301697"	337.919617	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+H+K"	39.970434
"698497"	496.886817	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+H+K"	39.970434
"1455601"	178.952417	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H+K"	39.970434
"244203"	677.902626	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+ACN+H"	42.033826
"1218006"	359.968226	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+ACN+H"	42.033826
"1197516"	180.487751	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+ACN+2H"	43.041102
"192575"	680.83996	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+2Na-H"	44.97116
"632135"	998.77436	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+2Na-H"	44.97116
"1136736"	362.90556	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2Na-H"	44.97116
"178933"	340.923618	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+2Na"	45.978436
"615584"	499.890818	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+2Na"	45.978436
"1117995"	181.956418	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2Na"	45.978436
"1401153"	121.640037333333	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H+2Na"	46.985712
"1431200"	364.947146	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H+HCOOH"	47.012746
"222599"	345.95664	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+3H2O+2H"	56.04448
"1513218"	378.99919	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+IsoProp+H"	61.06479
"409742"	348.910588	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+Na+K"	61.952376
"770606"	507.877788	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+Na+K"	61.952376
"1666128"	189.943388	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Na+K"	61.952376
"251918"	699.884568	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+ACN+Na"	64.015768
"1226326"	381.950168	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+ACN+Na"	64.015768
"1714455"	381.973693	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+NH4+HCOOH"	64.039293
"1181514"	128.967351333333	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+3Na"	68.967654
"1652137"	386.929088	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Na+HCOOH"	68.994688
"158752"	712.78784	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+2K-H"	76.91904
"597460"	1030.72224	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+2K-H"	76.91904
"1089999"	394.85344	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2K-H"	76.91904
"141948"	356.897558	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"2M+2K"	77.926316
"581751"	515.864758	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"3M+2K"	77.926316
"1069421"	197.930358	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2K"	77.926316
"1100937"	396.867992	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2K+H"	78.933592
"1336224"	396.955607	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+DMSO+H"	79.021207
"1007922"	400.994776	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2ACN+H"	83.060376
"1525070"	401.988408	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+IsoProp+Na+H"	84.054008
"993589"	201.001026	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+2ACN+2H"	84.067652
"1587153"	402.903028	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+K+HCOOH"	84.968628
"1415089"	432.934538	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+H+CF3COOH"	115.000138
"1150606"	221.514301	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+3ACN+2H"	125.094202
"1705626"	449.961085	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+NH4+CF3COOH"	132.026685
"1637997"	454.91648	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+Na+CF3COOH"	136.98208
"1573649"	470.89042	"C17109"	"Plocamene C"	"C10H14BrCl3"	"317.9344"	"M+K+CF3COOH"	152.95602
"805107"	238.0083	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M"	0
"984109"	218.98991	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-H2O-H"	-19.01839
"72352"	157.664924	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M-3H"	-3.021828
"513007"	237.001024	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M-3H"	-3.021828
"889721"	78.328824	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-3H"	-3.021828
"10481"	237.001024	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M-2H"	-2.014552
"448949"	356.005174	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M-2H"	-2.014552
"825658"	117.996874	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-2H"	-2.014552
"86743"	475.009324	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M-H"	-1.007276
"529585"	713.017624	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M-H"	-1.007276
"907388"	237.001024	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-H"	-1.007276
"60669"	492.035871	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M-2H+NH4"	16.019271
"495854"	730.044171	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M-2H+NH4"	16.019271
"875844"	254.027571	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-2H+NH4"	16.019271
"42651"	496.991266	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M-2H+Na"	20.974666
"483305"	734.999566	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M-2H+Na"	20.974666
"856734"	258.982966	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-2H+Na"	20.974666
"1627360"	258.982966	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Na-2H"	20.974666
"96963"	254.989363	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M-H+Cl"	33.962126
"535430"	373.993513	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M-H+Cl"	33.962126
"932591"	135.985213	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-H+Cl"	33.962126
"272243"	510.986002	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+Cl"	34.969402
"669038"	748.994302	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+Cl"	34.969402
"1275605"	272.977702	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Cl"	34.969402
"21809"	512.965206	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M-2H+K"	36.948606
"459187"	750.973506	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M-2H+K"	36.948606
"839178"	274.956906	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-2H+K"	36.948606
"1563761"	274.956906	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+K-2H"	36.948606
"945083"	283.006494	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-H+HCOOH"	44.998194
"367674"	521.014801	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+HCOOH-H"	44.998201
"347304"	535.030451	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+Hac-H"	59.013851
"1494314"	297.022151	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Hac-H"	59.013851
"963556"	304.988451	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-H+NaCOOH"	66.980151
"116838"	272.977702	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+2Cl"	69.938804
"563932"	391.981852	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+2Cl"	69.938804
"1029571"	153.973552	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2Cl"	69.938804
"1245869"	316.927185	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Br"	78.918885
"1312690"	318.983172	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Cl+HCOOH"	80.974872
"1326906"	340.965129	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Cl+NaCOOH"	102.956829
"925254"	350.993886	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M-H+CF3COOH"	112.985586
"1299775"	386.970564	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Cl+CF3COOH"	148.962264
"1376113"	202.995624	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H-2H2O"	-35.012676
"1392516"	221.0056	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H-H2O"	-17.0027
"286736"	477.023876	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+H"	1.007276
"678431"	715.032176	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+H"	1.007276
"1354414"	239.015576	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H"	1.007276
"129490"	239.015576	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+2H"	2.014552
"572332"	358.019726	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+2H"	2.014552
"1040038"	120.011426	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2H"	2.014552
"211220"	159.679476	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+3H"	3.021828
"647500"	239.015576	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+3H"	3.021828
"1162815"	80.343376	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+3H"	3.021828
"424397"	494.050423	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+NH4"	18.033823
"786612"	732.058723	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+NH4"	18.033823
"1681727"	256.042123	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+NH4"	18.033823
"332315"	247.5288495	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+H+NH4"	19.041099
"725102"	366.5329995	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+H+NH4"	19.041099
"1481838"	128.5246995	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H+NH4"	19.041099
"396509"	499.005818	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+Na"	22.989218
"762613"	737.014118	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+Na"	22.989218
"1607430"	260.997518	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Na"	22.989218
"318194"	250.006547	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+H+Na"	23.996494
"709521"	369.010697	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+H+Na"	23.996494
"1468083"	131.002397	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H+Na"	23.996494
"1058047"	87.67069	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2H+Na"	25.00377
"1258265"	271.041786	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+CH3OH+H"	33.033486
"377930"	514.979758	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+K"	38.963158
"740017"	752.988058	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+K"	38.963158
"1543540"	276.971458	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+K"	38.963158
"301078"	257.993517	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+H+K"	39.970434
"699700"	376.997667	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+H+K"	39.970434
"1457169"	138.989367	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H+K"	39.970434
"248322"	518.050426	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+ACN+H"	42.033826
"1212649"	280.042126	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+ACN+H"	42.033826
"1199813"	140.524701	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+ACN+2H"	43.041102
"192685"	520.98776	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+2Na-H"	44.97116
"632608"	758.99606	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+2Na-H"	44.97116
"1140126"	282.97946	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2Na-H"	44.97116
"175394"	260.997518	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+2Na"	45.978436
"615693"	380.001668	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+2Na"	45.978436
"1118105"	141.993368	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2Na"	45.978436
"1400896"	94.998004	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H+2Na"	46.985712
"1432650"	285.021046	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H+HCOOH"	47.012746
"226352"	266.03054	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+3H2O+2H"	56.04448
"1512592"	299.07309	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+IsoProp+H"	61.06479
"414101"	268.984488	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+Na+K"	61.952376
"771819"	387.988638	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+Na+K"	61.952376
"1667173"	149.980338	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Na+K"	61.952376
"251506"	540.032368	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+ACN+Na"	64.015768
"1226772"	302.024068	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+ACN+Na"	64.015768
"1716634"	302.047593	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+NH4+HCOOH"	64.039293
"1180166"	102.325318	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+3Na"	68.967654
"1652247"	307.002988	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Na+HCOOH"	68.994688
"163118"	552.93564	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+2K-H"	76.91904
"603408"	790.94394	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+2K-H"	76.91904
"1093391"	314.92734	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2K-H"	76.91904
"145833"	276.971458	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"2M+2K"	77.926316
"582354"	395.975608	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"3M+2K"	77.926316
"1071000"	157.967308	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2K"	77.926316
"1106396"	316.941892	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2K+H"	78.933592
"1337312"	317.029507	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+DMSO+H"	79.021207
"1006569"	321.068676	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2ACN+H"	83.060376
"1525549"	322.062308	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+IsoProp+Na+H"	84.054008
"990291"	161.037976	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+2ACN+2H"	84.067652
"1589297"	322.976928	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+K+HCOOH"	84.968628
"1418238"	353.008438	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+H+CF3COOH"	115.000138
"1158372"	181.551251	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+3ACN+2H"	125.094202
"1706829"	370.034985	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+NH4+CF3COOH"	132.026685
"1638107"	374.99038	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+Na+CF3COOH"	136.98208
"1573759"	390.96432	"C17110"	"Plocamene B"	"C10H13Cl3"	"238.0083"	"M+K+CF3COOH"	152.95602
"803030"	429.991	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M"	0
"984219"	410.97261	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-H2O-H"	-19.01839
"72463"	285.653390666667	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M-3H"	-3.021828
"513117"	428.983724	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M-3H"	-3.021828
"892019"	142.323057333333	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-3H"	-3.021828
"10592"	428.983724	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H"	-2.014552
"452339"	643.979224	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H"	-2.014552
"822488"	213.988224	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H"	-2.014552
"84666"	858.974724	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M-H"	-1.007276
"533342"	1288.965724	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M-H"	-1.007276
"908592"	428.983724	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-H"	-1.007276
"59687"	876.001271	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H+NH4"	16.019271
"493778"	1305.992271	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H+NH4"	16.019271
"877047"	446.010271	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H+NH4"	16.019271
"45803"	880.956666	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H+Na"	20.974666
"485606"	1310.947666	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H+Na"	20.974666
"860124"	450.965666	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H+Na"	20.974666
"1627470"	450.965666	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na-2H"	20.974666
"99626"	446.972063	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M-H+Cl"	33.962126
"536999"	661.967563	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M-H+Cl"	33.962126
"932701"	231.976563	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+Cl"	33.962126
"278914"	894.951402	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Cl"	34.969402
"669148"	1324.942402	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+Cl"	34.969402
"1274986"	464.960402	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl"	34.969402
"19733"	896.930606	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H+K"	36.948606
"458203"	1326.921606	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H+K"	36.948606
"836008"	466.939606	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H+K"	36.948606
"1562778"	466.939606	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+K-2H"	36.948606
"944221"	474.989194	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+HCOOH"	44.998194
"364504"	904.980201	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+HCOOH-H"	44.998201
"349481"	918.995851	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Hac-H"	59.013851
"1501593"	489.004851	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Hac-H"	59.013851
"963667"	496.971151	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+NaCOOH"	66.980151
"120228"	464.960402	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2Cl"	69.938804
"558695"	679.955902	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2Cl"	69.938804
"1027495"	249.964902	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2Cl"	69.938804
"1254728"	508.909885	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Br"	78.918885
"1317176"	510.965872	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl+HCOOH"	80.974872
"1331391"	532.947829	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl+NaCOOH"	102.956829
"924272"	542.976586	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+CF3COOH"	112.985586
"1303045"	578.953264	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl+CF3COOH"	148.962264
"1376224"	394.978324	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H-2H2O"	-35.012676
"1393722"	412.9883	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H-H2O"	-17.0027
"285754"	860.989276	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H"	1.007276
"680364"	1290.980276	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H"	1.007276
"1357804"	430.998276	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H"	1.007276
"127414"	430.998276	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2H"	2.014552
"565881"	645.993776	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2H"	2.014552
"1043428"	216.002776	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2H"	2.014552
"205862"	287.667942666667	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+3H"	3.021828
"649797"	430.998276	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+3H"	3.021828
"1163547"	144.337609333333	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+3H"	3.021828
"424990"	878.015823	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+NH4"	18.033823
"786722"	1308.006823	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+NH4"	18.033823
"1681594"	448.024823	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+NH4"	18.033823
"338987"	439.5115495	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H+NH4"	19.041099
"725942"	654.5070495	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H+NH4"	19.041099
"1484135"	224.5160495	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+NH4"	19.041099
"398443"	882.971218	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Na"	22.989218
"761630"	1312.962218	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+Na"	22.989218
"1608629"	452.980218	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na"	22.989218
"317210"	441.989247	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H+Na"	23.996494
"711089"	656.984747	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H+Na"	23.996494
"1463452"	226.993747	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+Na"	23.996494
"1053413"	151.664923333333	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2H+Na"	25.00377
"1258375"	463.024486	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+CH3OH+H"	33.033486
"378040"	898.945158	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+K"	38.963158
"740245"	1328.936158	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+K"	38.963158
"1541466"	468.954158	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+K"	38.963158
"299731"	449.976217	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H+K"	39.970434
"698717"	664.971717	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H+K"	39.970434
"1452542"	234.980717	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+K"	39.970434
"243329"	902.015826	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+ACN+H"	42.033826
"1216041"	472.024826	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+ACN+H"	42.033826
"1199924"	236.516051	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+ACN+2H"	43.041102
"191701"	904.95316	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2Na-H"	44.97116
"630894"	1334.94416	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2Na-H"	44.97116
"1134041"	474.96216	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2Na-H"	44.97116
"173193"	452.980218	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2Na"	45.978436
"616898"	667.975718	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2Na"	45.978436
"1117851"	237.984718	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2Na"	45.978436
"1401009"	158.992237333333	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+2Na"	46.985712
"1435677"	477.003746	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+HCOOH"	47.012746
"227557"	458.01324	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+3H2O+2H"	56.04448
"1513432"	491.05579	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+IsoProp+H"	61.06479
"414211"	460.967188	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Na+K"	61.952376
"774116"	675.962688	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+Na+K"	61.952376
"1666068"	245.971688	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na+K"	61.952376
"251429"	923.997768	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+ACN+Na"	64.015768
"1228952"	494.006768	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+ACN+Na"	64.015768
"1722940"	494.030293	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+NH4+HCOOH"	64.039293
"1182829"	166.319551333333	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+3Na"	68.967654
"1652357"	498.985688	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na+HCOOH"	68.994688
"163228"	936.90104	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2K-H"	76.91904
"599996"	1366.89204	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2K-H"	76.91904
"1091312"	506.91004	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2K-H"	76.91904
"142170"	468.954158	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2K"	77.926316
"586596"	683.949658	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2K"	77.926316
"1070257"	253.958658	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2K"	77.926316
"1100792"	508.924592	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2K+H"	78.933592
"1336937"	509.012207	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+DMSO+H"	79.021207
"1005642"	513.051376	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2ACN+H"	83.060376
"1528456"	514.045008	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+IsoProp+Na+H"	84.054008
"990645"	257.029326	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+2ACN+2H"	84.067652
"1591594"	514.959628	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+K+HCOOH"	84.968628
"1418348"	544.991138	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+CF3COOH"	115.000138
"1154107"	277.542601	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+3ACN+2H"	125.094202
"1703659"	562.017685	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+NH4+CF3COOH"	132.026685
"1634934"	566.97308	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na+CF3COOH"	136.98208
"1572776"	582.94702	"C17111"	"Caespitol"	"C15H25Br2ClO2"	"429.991"	"M+K+CF3COOH"	152.95602
"803140"	429.991	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M"	0
"987613"	410.97261	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-H2O-H"	-19.01839
"75855"	285.653390666667	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M-3H"	-3.021828
"513233"	428.983724	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M-3H"	-3.021828
"889941"	142.323057333333	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-3H"	-3.021828
"9609"	428.983724	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H"	-2.014552
"450263"	643.979224	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H"	-2.014552
"828065"	213.988224	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H"	-2.014552
"92069"	858.974724	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M-H"	-1.007276
"522149"	1288.965724	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M-H"	-1.007276
"906514"	428.983724	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-H"	-1.007276
"51046"	876.001271	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H+NH4"	16.019271
"496075"	1305.992271	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H+NH4"	16.019271
"874971"	446.010271	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H+NH4"	16.019271
"40684"	880.956666	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H+Na"	20.974666
"480244"	1310.947666	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H+Na"	20.974666
"856953"	450.965666	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H+Na"	20.974666
"1621018"	450.965666	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na-2H"	20.974666
"96087"	446.972063	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M-H+Cl"	33.962126
"538197"	661.967563	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M-H+Cl"	33.962126
"929161"	231.976563	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+Cl"	33.962126
"271003"	894.951402	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Cl"	34.969402
"665248"	1324.942402	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+Cl"	34.969402
"1277284"	464.960402	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl"	34.969402
"17660"	896.930606	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M-2H+K"	36.948606
"459412"	1326.921606	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M-2H+K"	36.948606
"839402"	466.939606	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-2H+K"	36.948606
"1565076"	466.939606	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+K-2H"	36.948606
"952959"	474.989194	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+HCOOH"	44.998194
"363520"	904.980201	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+HCOOH-H"	44.998201
"347402"	918.995851	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Hac-H"	59.013851
"1498421"	489.004851	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Hac-H"	59.013851
"969244"	496.971151	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+NaCOOH"	66.980151
"121432"	464.960402	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2Cl"	69.938804
"559898"	679.955902	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2Cl"	69.938804
"1030885"	249.964902	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2Cl"	69.938804
"1247183"	508.909885	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Br"	78.918885
"1310724"	510.965872	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl+HCOOH"	80.974872
"1323846"	532.947829	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl+NaCOOH"	102.956829
"919277"	542.976586	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M-H+CF3COOH"	112.985586
"1293799"	578.953264	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Cl+CF3COOH"	148.962264
"1373053"	394.978324	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H-2H2O"	-35.012676
"1392735"	412.9883	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H-H2O"	-17.0027
"294612"	860.989276	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H"	1.007276
"684847"	1290.980276	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H"	1.007276
"1359008"	430.998276	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H"	1.007276
"132991"	430.998276	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2H"	2.014552
"570364"	645.993776	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2H"	2.014552
"1042445"	216.002776	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2H"	2.014552
"207062"	287.667942666667	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+3H"	3.021828
"650996"	430.998276	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+3H"	3.021828
"1166935"	144.337609333333	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+3H"	3.021828
"429113"	878.015823	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+NH4"	18.033823
"796675"	1308.006823	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+NH4"	18.033823
"1685352"	448.024823	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+NH4"	18.033823
"338004"	439.5115495	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H+NH4"	19.041099
"729332"	654.5070495	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H+NH4"	19.041099
"1485341"	224.5160495	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+NH4"	19.041099
"399652"	882.971218	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Na"	22.989218
"758459"	1312.962218	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+Na"	22.989218
"1608743"	452.980218	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na"	22.989218
"318049"	441.989247	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H+Na"	23.996494
"711198"	656.984747	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H+Na"	23.996494
"1464655"	226.993747	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+Na"	23.996494
"1058261"	151.664923333333	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2H+Na"	25.00377
"1259942"	463.024486	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+CH3OH+H"	33.033486
"380703"	898.945158	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+K"	38.963158
"743896"	1328.936158	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+K"	38.963158
"1545949"	468.954158	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+K"	38.963158
"306412"	449.976217	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+H+K"	39.970434
"701019"	664.971717	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+H+K"	39.970434
"1452653"	234.980717	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+K"	39.970434
"244538"	902.015826	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+ACN+H"	42.033826
"1215059"	472.024826	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+ACN+H"	42.033826
"1202223"	236.516051	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+ACN+2H"	43.041102
"198375"	904.95316	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2Na-H"	44.97116
"637937"	1334.94416	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2Na-H"	44.97116
"1139255"	474.96216	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2Na-H"	44.97116
"178175"	452.980218	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2Na"	45.978436
"616642"	667.975718	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2Na"	45.978436
"1117960"	237.984718	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2Na"	45.978436
"1405859"	158.992237333333	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+2Na"	46.985712
"1437974"	477.003746	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+HCOOH"	47.012746
"232042"	458.01324	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+3H2O+2H"	56.04448
"1519009"	491.05579	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+IsoProp+H"	61.06479
"420883"	460.967188	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+Na+K"	61.952376
"772403"	675.962688	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+Na+K"	61.952376
"1667641"	245.971688	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na+K"	61.952376
"258176"	923.997768	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+ACN+Na"	64.015768
"1233072"	494.006768	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+ACN+Na"	64.015768
"1718679"	494.030293	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+NH4+HCOOH"	64.039293
"1180388"	166.319551333333	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+3Na"	68.967654
"1653561"	498.985688	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na+HCOOH"	68.994688
"162245"	936.90104	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2K-H"	76.91904
"597588"	1366.89204	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2K-H"	76.91904
"1084735"	506.91004	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2K-H"	76.91904
"143014"	468.954158	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"2M+2K"	77.926316
"586706"	683.949658	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"3M+2K"	77.926316
"1071222"	253.958658	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2K"	77.926316
"1100904"	508.924592	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2K+H"	78.933592
"1335778"	509.012207	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+DMSO+H"	79.021207
"1006303"	513.051376	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2ACN+H"	83.060376
"1524918"	514.045008	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+IsoProp+Na+H"	84.054008
"990185"	257.029326	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+2ACN+2H"	84.067652
"1587088"	514.959628	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+K+HCOOH"	84.968628
"1415295"	544.991138	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+H+CF3COOH"	115.000138
"1147190"	277.542601	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+3ACN+2H"	125.094202
"1698301"	562.017685	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+NH4+CF3COOH"	132.026685
"1641606"	566.97308	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+Na+CF3COOH"	136.98208
"1573979"	582.94702	"C17112"	"Isocaespitol"	"C15H25Br2ClO2"	"429.991"	"M+K+CF3COOH"	152.95602
"806531"	290.0073	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M"	0
"987722"	270.98891	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-H2O-H"	-19.01839
"74871"	192.330924	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M-3H"	-3.021828
"513343"	289.000024	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M-3H"	-3.021828
"891144"	95.661824	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-3H"	-3.021828
"7531"	289.000024	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M-2H"	-2.014552
"450373"	434.003674	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M-2H"	-2.014552
"822704"	143.996374	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-2H"	-2.014552
"90354"	579.007324	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M-H"	-1.007276
"531009"	869.014624	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M-H"	-1.007276
"903343"	289.000024	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-H"	-1.007276
"53344"	596.033871	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M-2H+NH4"	16.019271
"492174"	886.041171	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M-2H+NH4"	16.019271
"872894"	306.026571	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-2H+NH4"	16.019271
"42983"	600.989266	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M-2H+Na"	20.974666
"480355"	890.996566	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M-2H+Na"	20.974666
"859250"	310.981966	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-2H+Na"	20.974666
"1629877"	310.981966	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Na-2H"	20.974666
"98751"	306.988363	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M-H+Cl"	33.962126
"541593"	451.992013	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M-H+Cl"	33.962126
"931096"	161.984713	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-H+Cl"	33.962126
"272203"	614.984002	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+Cl"	34.969402
"667181"	904.991302	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+Cl"	34.969402
"1277394"	324.976702	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Cl"	34.969402
"24329"	616.963206	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M-2H+K"	36.948606
"457330"	906.970506	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M-2H+K"	36.948606
"833066"	326.955906	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-2H+K"	36.948606
"1559716"	326.955906	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+K-2H"	36.948606
"955256"	335.005494	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-H+HCOOH"	44.998194
"363631"	625.012801	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+HCOOH-H"	44.998201
"351887"	639.028451	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+Hac-H"	59.013851
"1500719"	349.021151	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Hac-H"	59.013851
"967168"	356.987451	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-H+NaCOOH"	66.980151
"123730"	324.976702	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+2Cl"	69.938804
"556728"	469.980352	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+2Cl"	69.938804
"1032089"	179.973052	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2Cl"	69.938804
"1252760"	368.926185	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Br"	78.918885
"1316301"	370.982172	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Cl+HCOOH"	80.974872
"1329424"	392.964129	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Cl+NaCOOH"	102.956829
"922667"	402.992886	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M-H+CF3COOH"	112.985586
"1297190"	438.969564	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Cl+CF3COOH"	148.962264
"1375350"	254.994624	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H-2H2O"	-35.012676
"1389565"	273.0046	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H-H2O"	-17.0027
"296908"	581.021876	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+H"	1.007276
"682768"	871.029176	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+H"	1.007276
"1355109"	291.014576	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H"	1.007276
"134194"	291.014576	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+2H"	2.014552
"569382"	436.018226	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+2H"	2.014552
"1041463"	146.010926	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2H"	2.014552
"210457"	194.345476	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+3H"	3.021828
"647830"	291.014576	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+3H"	3.021828
"1164862"	97.676376	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+3H"	3.021828
"432503"	598.048423	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+NH4"	18.033823
"796785"	888.055723	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+NH4"	18.033823
"1688743"	308.041123	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+NH4"	18.033823
"337022"	299.5278495	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+H+NH4"	19.041099
"730536"	444.5314995	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+H+NH4"	19.041099
"1486543"	154.5241995	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H+NH4"	19.041099
"399763"	603.003818	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+Na"	22.989218
"761850"	893.011118	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+Na"	22.989218
"1608855"	312.996518	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Na"	22.989218
"318889"	302.005547	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+H+Na"	23.996494
"712038"	447.009197	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+H+Na"	23.996494
"1464039"	157.001897	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H+Na"	23.996494
"1055096"	105.00369	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2H+Na"	25.00377
"1258597"	323.040786	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+CH3OH+H"	33.033486
"380081"	618.977758	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+K"	38.963158
"745084"	908.985058	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+K"	38.963158
"1543865"	328.970458	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+K"	38.963158
"303235"	309.992517	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+H+K"	39.970434
"701129"	454.996167	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+H+K"	39.970434
"1458227"	164.988867	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H+K"	39.970434
"243549"	622.048426	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+ACN+H"	42.033826
"1218449"	332.041126	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+ACN+H"	42.033826
"1200143"	166.524201	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+ACN+2H"	43.041102
"193017"	624.98576	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+2Na-H"	44.97116
"632941"	914.99306	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+2Na-H"	44.97116
"1139365"	334.97846	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2Na-H"	44.97116
"181567"	312.996518	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+2Na"	45.978436
"614198"	458.000168	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+2Na"	45.978436
"1117338"	167.992868	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2Na"	45.978436
"1401229"	112.331004	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H+2Na"	46.985712
"1438084"	337.020046	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H+HCOOH"	47.012746
"232154"	318.02954	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+3H2O+2H"	56.04448
"1518027"	351.07209	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+IsoProp+H"	61.06479
"410788"	320.983488	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+Na+K"	61.952376
"771783"	465.987138	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+Na+K"	61.952376
"1667020"	175.979838	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Na+K"	61.952376
"252448"	644.030368	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+ACN+Na"	64.015768
"1233912"	354.023068	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+ACN+Na"	64.015768
"1717331"	354.046593	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+NH4+HCOOH"	64.039293
"1183780"	119.658318	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+3Na"	68.967654
"1655128"	359.001988	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Na+HCOOH"	68.994688
"159440"	656.93364	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+2K-H"	76.91904
"598394"	946.94094	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+2K-H"	76.91904
"1087161"	366.92634	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2K-H"	76.91904
"146163"	328.970458	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"2M+2K"	77.926316
"586816"	473.974108	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"3M+2K"	77.926316
"1069505"	183.966808	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2K"	77.926316
"1101135"	368.940892	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2K+H"	78.933592
"1340926"	369.028507	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+DMSO+H"	79.021207
"1007269"	373.067676	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2ACN+H"	83.060376
"1527583"	374.061308	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+IsoProp+Na+H"	84.054008
"990505"	187.037476	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+2ACN+2H"	84.067652
"1587680"	374.975928	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+K+HCOOH"	84.968628
"1414471"	405.007438	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+H+CF3COOH"	115.000138
"1151047"	207.550751	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+3ACN+2H"	125.094202
"1703880"	422.033985	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+NH4+CF3COOH"	132.026685
"1647184"	426.98938	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+Na+CF3COOH"	136.98208
"1574089"	442.96332	"C17113"	"Furocaespitane"	"C12H16BrClO"	"290.0073"	"M+K+CF3COOH"	152.95602
"816484"	298.0932	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M"	0
"986739"	279.07481	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-H2O-H"	-19.01839
"76806"	197.721524	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M-3H"	-3.021828
"513451"	297.085924	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M-3H"	-3.021828
"887973"	98.357124	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-3H"	-3.021828
"7642"	297.085924	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M-2H"	-2.014552
"452670"	446.132524	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M-2H"	-2.014552
"820630"	148.039324	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-2H"	-2.014552
"89370"	595.179124	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M-H"	-1.007276
"527837"	893.272324	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M-H"	-1.007276
"903453"	297.085924	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-H"	-1.007276
"51266"	612.205671	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M-2H+NH4"	16.019271
"495197"	910.298871	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M-2H+NH4"	16.019271
"878471"	314.112471	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-2H+NH4"	16.019271
"45888"	617.161066	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M-2H+Na"	20.974666
"481559"	915.254266	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M-2H+Na"	20.974666
"860453"	319.067866	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-2H+Na"	20.974666
"1631810"	319.067866	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Na-2H"	20.974666
"101048"	315.074263	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M-H+Cl"	33.962126
"541704"	464.120863	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M-H+Cl"	33.962126
"933029"	166.027663	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-H+Cl"	33.962126
"271584"	631.155802	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+Cl"	34.969402
"663280"	929.249002	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+Cl"	34.969402
"1276777"	333.062602	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Cl"	34.969402
"26626"	633.135006	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M-2H+K"	36.948606
"459627"	931.228206	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M-2H+K"	36.948606
"838523"	335.041806	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-2H+K"	36.948606
"1563106"	335.041806	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+K-2H"	36.948606
"956094"	343.091394	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-H+HCOOH"	44.998194
"370301"	641.184601	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+HCOOH-H"	44.998201
"354184"	655.200251	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+Hac-H"	59.013851
"1503016"	357.107051	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Hac-H"	59.013851
"972381"	365.073351	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-H+NaCOOH"	66.980151
"123111"	333.062602	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+2Cl"	69.938804
"559025"	482.109202	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+2Cl"	69.938804
"1033293"	184.016002	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2Cl"	69.938804
"1256032"	377.012085	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Br"	78.918885
"1314225"	379.068072	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Cl+HCOOH"	80.974872
"1330628"	401.050029	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Cl+NaCOOH"	102.956829
"920591"	411.078786	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M-H+CF3COOH"	112.985586
"1297300"	447.055464	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Cl+CF3COOH"	148.962264
"1372180"	263.080524	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H-2H2O"	-35.012676
"1387489"	281.0905	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H-H2O"	-17.0027
"292645"	597.193676	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+H"	1.007276
"680693"	895.286876	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+H"	1.007276
"1357042"	299.100476	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H"	1.007276
"134305"	299.100476	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+2H"	2.014552
"571679"	448.147076	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+2H"	2.014552
"1040844"	150.053876	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2H"	2.014552
"210567"	199.736076	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+3H"	3.021828
"650127"	299.100476	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+3H"	3.021828
"1165336"	100.371676	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+3H"	3.021828
"429336"	614.220223	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+NH4"	18.033823
"795802"	912.313423	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+NH4"	18.033823
"1688853"	316.127023	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+NH4"	18.033823
"336040"	307.6137495	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+H+NH4"	19.041099
"730646"	456.6603495	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+H+NH4"	19.041099
"1483010"	158.5671495	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H+NH4"	19.041099
"400966"	619.175618	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+Na"	22.989218
"763055"	917.268818	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+Na"	22.989218
"1607871"	321.082418	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Na"	22.989218
"317909"	310.091447	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+H+Na"	23.996494
"711420"	459.138047	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+H+Na"	23.996494
"1466337"	161.044847	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H+Na"	23.996494
"1054477"	107.69899	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2H+Na"	25.00377
"1257978"	331.126686	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+CH3OH+H"	33.033486
"382013"	635.149558	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+K"	38.963158
"743372"	933.242758	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+K"	38.963158
"1542152"	337.056358	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+K"	38.963158
"303345"	318.078417	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+H+K"	39.970434
"702333"	467.125017	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+H+K"	39.970434
"1457244"	169.031817	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H+K"	39.970434
"244753"	638.220226	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+ACN+H"	42.033826
"1218559"	340.127026	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+ACN+H"	42.033826
"1201347"	170.567151	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+ACN+2H"	43.041102
"195314"	641.15756	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+2Na-H"	44.97116
"633048"	939.25076	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+2Na-H"	44.97116
"1139474"	343.06436	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2Na-H"	44.97116
"182766"	321.082418	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+2Na"	45.978436
"623423"	470.129018	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+2Na"	45.978436
"1124742"	172.035818	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2Na"	45.978436
"1407173"	115.026304	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H+2Na"	46.985712
"1436006"	345.105946	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H+HCOOH"	47.012746
"233356"	326.11544	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+3H2O+2H"	56.04448
"1515950"	359.15799	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+IsoProp+H"	61.06479
"416729"	329.069388	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+Na+K"	61.952376
"774811"	478.115988	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+Na+K"	61.952376
"1666401"	180.022788	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Na+K"	61.952376
"252430"	660.202168	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+ACN+Na"	64.015768
"1235479"	362.108968	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+ACN+Na"	64.015768
"1719995"	362.132493	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+NH4+HCOOH"	64.039293
"1184255"	122.353618	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+3Na"	68.967654
"1658520"	367.087888	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Na+HCOOH"	68.994688
"161009"	673.10544	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+2K-H"	76.91904
"598747"	971.19864	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+2K-H"	76.91904
"1092739"	375.01224	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2K-H"	76.91904
"146273"	337.056358	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"2M+2K"	77.926316
"586926"	486.102958	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"3M+2K"	77.926316
"1073629"	188.009758	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2K"	77.926316
"1106838"	377.026792	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2K+H"	78.933592
"1344316"	377.114407	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+DMSO+H"	79.021207
"1012847"	381.153576	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2ACN+H"	83.060376
"1528786"	382.147208	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+IsoProp+Na+H"	84.054008
"994142"	191.080426	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+2ACN+2H"	84.067652
"1595207"	383.061828	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+K+HCOOH"	84.968628
"1414666"	413.093338	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+H+CF3COOH"	115.000138
"1150064"	211.593701	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+3ACN+2H"	125.094202
"1705083"	430.119885	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+NH4+CF3COOH"	132.026685
"1649360"	435.07528	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+Na+CF3COOH"	136.98208
"1574199"	451.04922	"C17114"	"Spirolaurenone"	"C15H23BrO"	"298.0932"	"M+K+CF3COOH"	152.95602
"805658"	395.9855	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M"	0
"985754"	376.96711	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-H2O-H"	-19.01839
"75823"	262.983057333333	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M-3H"	-3.021828
"508093"	394.978224	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M-3H"	-3.021828
"884802"	130.987890666667	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-3H"	-3.021828
"6657"	394.978224	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M-2H"	-2.014552
"451686"	592.970974	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M-2H"	-2.014552
"822927"	196.985474	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-2H"	-2.014552
"84013"	790.963724	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M-H"	-1.007276
"524664"	1186.949224	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M-H"	-1.007276
"900280"	394.978224	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-H"	-1.007276
"51374"	807.990271	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M-2H+NH4"	16.019271
"495308"	1203.975771	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M-2H+NH4"	16.019271
"872019"	412.004771	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-2H+NH4"	16.019271
"44662"	812.945666	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M-2H+Na"	20.974666
"481669"	1208.931166	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M-2H+Na"	20.974666
"860563"	416.960166	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-2H+Na"	20.974666
"1631190"	416.960166	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Na-2H"	20.974666
"101158"	412.966563	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M-H+Cl"	33.962126
"544001"	610.959313	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M-H+Cl"	33.962126
"933139"	214.973813	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-H+Cl"	33.962126
"271329"	826.940402	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+Cl"	34.969402
"664121"	1222.925902	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+Cl"	34.969402
"1278710"	430.954902	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Cl"	34.969402
"30016"	828.919606	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M-2H+K"	36.948606
"467391"	1224.905106	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M-2H+K"	36.948606
"838633"	432.934106	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-2H+K"	36.948606
"1563216"	432.934106	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+K-2H"	36.948606
"946725"	440.983694	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-H+HCOOH"	44.998194
"374422"	836.969201	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+HCOOH-H"	44.998201
"356481"	850.984851	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+Hac-H"	59.013851
"1500939"	454.999351	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Hac-H"	59.013851
"973222"	462.965651	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-H+NaCOOH"	66.980151
"123585"	430.954902	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+2Cl"	69.938804
"561321"	628.947652	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+2Cl"	69.938804
"1034496"	232.962152	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2Cl"	69.938804
"1255168"	474.904385	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Br"	78.918885
"1314335"	476.960372	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Cl+HCOOH"	80.974872
"1334018"	498.942329	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Cl+NaCOOH"	102.956829
"920701"	508.971086	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M-H+CF3COOH"	112.985586
"1291943"	544.947764	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Cl+CF3COOH"	148.962264
"1373384"	360.972824	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H-2H2O"	-35.012676
"1389786"	378.9828	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H-H2O"	-17.0027
"290568"	792.978276	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+H"	1.007276
"679710"	1188.963776	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+H"	1.007276
"1356059"	396.992776	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H"	1.007276
"131135"	396.992776	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+2H"	2.014552
"571789"	594.985526	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+2H"	2.014552
"1042777"	199.000026	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2H"	2.014552
"210677"	264.997609333333	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+3H"	3.021828
"648051"	396.992776	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+3H"	3.021828
"1166539"	133.002442666667	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+3H"	3.021828
"430540"	810.004823	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+NH4"	18.033823
"795911"	1205.990323	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+NH4"	18.033823
"1690056"	414.019323	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+NH4"	18.033823
"339430"	405.5060495	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+H+NH4"	19.041099
"732943"	603.4987995	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+H+NH4"	19.041099
"1484580"	207.5132995	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H+NH4"	19.041099
"402170"	814.960218	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+Na"	22.989218
"756603"	1210.945718	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+Na"	22.989218
"1607980"	418.974718	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Na"	22.989218
"318379"	407.983747	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+H+Na"	23.996494
"709708"	605.976497	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+H+Na"	23.996494
"1464258"	209.990997	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H+Na"	23.996494
"1054222"	140.329756666667	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2H+Na"	25.00377
"1258571"	429.018986	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+CH3OH+H"	33.033486
"382124"	830.934158	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+K"	38.963158
"743117"	1226.919658	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+K"	38.963158
"1542259"	434.948658	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+K"	38.963158
"303455"	415.970717	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+H+K"	39.970434
"703536"	613.963467	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+H+K"	39.970434
"1457354"	217.977967	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H+K"	39.970434
"245956"	834.004826	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+ACN+H"	42.033826
"1219762"	438.019326	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+ACN+H"	42.033826
"1201457"	219.513301	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+ACN+2H"	43.041102
"199798"	836.94216	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+2Na-H"	44.97116
"634983"	1232.92766	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+2Na-H"	44.97116
"1139584"	440.95666	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2Na-H"	44.97116
"182876"	418.974718	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+2Na"	45.978436
"625719"	616.967468	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+2Na"	45.978436
"1124851"	220.981968	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2Na"	45.978436
"1408374"	147.657070666667	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H+2Na"	46.985712
"1439396"	442.998246	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H+HCOOH"	47.012746
"226905"	424.00774	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+3H2O+2H"	56.04448
"1518247"	457.05029	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+IsoProp+H"	61.06479
"417934"	426.961688	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+Na+K"	61.952376
"778928"	624.954438	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+Na+K"	61.952376
"1669792"	228.968938	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Na+K"	61.952376
"252419"	855.986768	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+ACN+Na"	64.015768
"1226346"	460.001268	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+ACN+Na"	64.015768
"1720102"	460.024793	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+NH4+HCOOH"	64.039293
"1184364"	154.984384666667	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+3Na"	68.967654
"1655350"	464.980188	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Na+HCOOH"	68.994688
"161120"	868.89004	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+2K-H"	76.91904
"599587"	1264.87554	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+2K-H"	76.91904
"1095036"	472.90454	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2K-H"	76.91904
"146384"	434.948658	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"2M+2K"	77.926316
"587037"	632.941408	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"3M+2K"	77.926316
"1077019"	236.955908	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2K"	77.926316
"1109135"	474.919092	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2K+H"	78.933592
"1344427"	475.006707	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+DMSO+H"	79.021207
"1019517"	479.045876	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2ACN+H"	83.060376
"1537643"	480.039508	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+IsoProp+Na+H"	84.054008
"999719"	240.026576	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+2ACN+2H"	84.067652
"1592035"	480.954128	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+K+HCOOH"	84.968628
"1414777"	510.985638	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+H+CF3COOH"	115.000138
"1152361"	260.539851	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+3ACN+2H"	125.094202
"1705193"	528.012185	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+NH4+CF3COOH"	132.026685
"1648134"	532.96758	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+Na+CF3COOH"	136.98208
"1574309"	548.94152	"C17116"	"Nidificene;Intricatene"	"C15H23Br2Cl"	"395.9855"	"M+K+CF3COOH"	152.95602
"805768"	332.0543	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M"	0
"985864"	313.03591	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-H2O-H"	-19.01839
"74110"	220.362257333333	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M-3H"	-3.021828
"508203"	331.047024	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M-3H"	-3.021828
"884912"	109.677490666667	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-3H"	-3.021828
"5674"	331.047024	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M-2H"	-2.014552
"451796"	497.074174	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M-2H"	-2.014552
"823038"	165.019874	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-2H"	-2.014552
"84123"	663.101324	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M-H"	-1.007276
"524047"	995.155624	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M-H"	-1.007276
"900391"	331.047024	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-H"	-1.007276
"51848"	680.127871	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M-2H+NH4"	16.019271
"494325"	1012.182171	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M-2H+NH4"	16.019271
"870306"	348.073571	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-2H+NH4"	16.019271
"42586"	685.083266	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M-2H+Na"	20.974666
"482872"	1017.137566	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M-2H+Na"	20.974666
"856299"	353.028966	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-2H+Na"	20.974666
"1630206"	353.028966	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Na-2H"	20.974666
"98715"	349.035363	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M-H+Cl"	33.962126
"541924"	515.062513	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M-H+Cl"	33.962126
"930697"	183.008213	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-H+Cl"	33.962126
"268887"	699.078002	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+Cl"	34.969402
"662407"	1031.132302	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+Cl"	34.969402
"1274445"	367.023702	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Cl"	34.969402
"22471"	701.057206	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M-2H+K"	36.948606
"462033"	1033.111506	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M-2H+K"	36.948606
"836556"	369.002906	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-2H+K"	36.948606
"1558222"	369.002906	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+K-2H"	36.948606
"946835"	377.052494	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-H+HCOOH"	44.998194
"367241"	709.106801	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+HCOOH-H"	44.998201
"354404"	723.122451	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+Hac-H"	59.013851
"1501049"	391.068151	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Hac-H"	59.013851
"969685"	399.034451	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-H+NaCOOH"	66.980151
"119685"	367.023702	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+2Cl"	69.938804
"555964"	533.050852	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+2Cl"	69.938804
"1030231"	200.996552	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2Cl"	69.938804
"1253091"	410.973185	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Br"	78.918885
"1314445"	413.029172	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Cl+HCOOH"	80.974872
"1331941"	435.011129	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Cl+NaCOOH"	102.956829
"918624"	445.039886	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M-H+CF3COOH"	112.985586
"1291323"	481.016564	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Cl+CF3COOH"	148.962264
"1370214"	297.041624	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H-2H2O"	-35.012676
"1386616"	315.0516	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H-H2O"	-17.0027
"287398"	665.115876	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+H"	1.007276
"679820"	997.170176	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+H"	1.007276
"1356169"	333.061576	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H"	1.007276
"131245"	333.061576	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+2H"	2.014552
"570806"	499.088726	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+2H"	2.014552
"1043980"	167.034426	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2H"	2.014552
"210787"	222.376809333333	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+3H"	3.021828
"648161"	333.061576	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+3H"	3.021828
"1165556"	111.692042666667	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+3H"	3.021828
"429557"	682.142423	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+NH4"	18.033823
"796021"	1014.196723	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+NH4"	18.033823
"1690166"	350.088123	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+NH4"	18.033823
"336624"	341.5748495	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+H+NH4"	19.041099
"731960"	507.6019995	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+H+NH4"	19.041099
"1483231"	175.5476995	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H+NH4"	19.041099
"396083"	687.097818	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+Na"	22.989218
"757807"	1019.152118	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+Na"	22.989218
"1606996"	355.043518	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Na"	22.989218
"319218"	344.052547	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+H+Na"	23.996494
"710912"	510.079697	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+H+Na"	23.996494
"1466554"	178.025397	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H+Na"	23.996494
"1054210"	119.019356666667	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2H+Na"	25.00377
"1258924"	365.087786	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+CH3OH+H"	33.033486
"382234"	703.071758	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+K"	38.963158
"743228"	1035.126058	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+K"	38.963158
"1544192"	371.017458	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+K"	38.963158
"302472"	352.039517	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+H+K"	39.970434
"704011"	518.066667	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+H+K"	39.970434
"1457464"	186.012367	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H+K"	39.970434
"244973"	706.142426	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+ACN+H"	42.033826
"1218779"	374.088126	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+ACN+H"	42.033826
"1199381"	187.547701	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+ACN+2H"	43.041102
"196628"	709.07976	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+2Na-H"	44.97116
"635092"	1041.13406	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+2Na-H"	44.97116
"1139694"	377.02546	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2Na-H"	44.97116
"181893"	355.043518	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+2Na"	45.978436
"622549"	521.070668	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+2Na"	45.978436
"1120222"	189.016368	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2Na"	45.978436
"1407391"	126.346670666667	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H+2Na"	46.985712
"1438413"	379.067046	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H+HCOOH"	47.012746
"223735"	360.07654	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+3H2O+2H"	56.04448
"1515077"	393.11909	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+IsoProp+H"	61.06479
"418044"	363.030488	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+Na+K"	61.952376
"776852"	529.057638	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+Na+K"	61.952376
"1669902"	197.003338	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Na+K"	61.952376
"251679"	728.124368	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+ACN+Na"	64.015768
"1225760"	396.070068	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+ACN+Na"	64.015768
"1719478"	396.093593	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+NH4+HCOOH"	64.039293
"1184472"	133.673984666667	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+3Na"	68.967654
"1654367"	401.048988	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Na+HCOOH"	68.994688
"161228"	741.02764	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+2K-H"	76.91904
"599697"	1073.08194	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+2K-H"	76.91904
"1094052"	408.97334	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2K-H"	76.91904
"146494"	371.017458	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"2M+2K"	77.926316
"587147"	537.044608	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"3M+2K"	77.926316
"1076036"	204.990308	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2K"	77.926316
"1108152"	410.987892	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2K+H"	78.933592
"1343444"	411.075507	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+DMSO+H"	79.021207
"1016348"	415.114676	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2ACN+H"	83.060376
"1529005"	416.108308	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+IsoProp+Na+H"	84.054008
"998735"	208.060976	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+2ACN+2H"	84.067652
"1592145"	417.022928	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+K+HCOOH"	84.968628
"1415253"	447.054438	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+H+CF3COOH"	115.000138
"1152471"	228.574251	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+3ACN+2H"	125.094202
"1704210"	464.080985	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+NH4+CF3COOH"	132.026685
"1648607"	469.03638	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+Na+CF3COOH"	136.98208
"1573326"	485.01032	"C17117"	"Nidifidienol"	"C15H22BrClO"	"332.0543"	"M+K+CF3COOH"	152.95602
"805877"	332.0543	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M"	0
"988160"	313.03591	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-H2O-H"	-19.01839
"74223"	220.362257333333	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M-3H"	-3.021828
"512689"	331.047024	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M-3H"	-3.021828
"888304"	109.677490666667	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-3H"	-3.021828
"7972"	331.047024	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M-2H"	-2.014552
"450813"	497.074174	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M-2H"	-2.014552
"822054"	165.019874	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-2H"	-2.014552
"85326"	663.101324	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M-H"	-1.007276
"525979"	995.155624	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M-H"	-1.007276
"901594"	331.047024	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-H"	-1.007276
"58156"	680.127871	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M-2H+NH4"	16.019271
"499902"	1012.182171	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M-2H+NH4"	16.019271
"876613"	348.073571	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-2H+NH4"	16.019271
"44154"	685.083266	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M-2H+Na"	20.974666
"484806"	1017.137566	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M-2H+Na"	20.974666
"858595"	353.028966	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-2H+Na"	20.974666
"1632139"	353.028966	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Na-2H"	20.974666
"99189"	349.035363	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M-H+Cl"	33.962126
"538753"	515.062513	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M-H+Cl"	33.962126
"932268"	183.008213	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-H+Cl"	33.962126
"271552"	699.078002	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+Cl"	34.969402
"664702"	1031.132302	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+Cl"	34.969402
"1276377"	367.023702	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Cl"	34.969402
"24768"	701.057206	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M-2H+K"	36.948606
"467611"	1033.111506	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M-2H+K"	36.948606
"835573"	369.002906	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-2H+K"	36.948606
"1557968"	369.002906	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+K-2H"	36.948606
"948038"	377.052494	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-H+HCOOH"	44.998194
"369538"	709.106801	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+HCOOH-H"	44.998201
"355608"	723.122451	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+Hac-H"	59.013851
"1501160"	391.068151	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Hac-H"	59.013851
"970891"	399.034451	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-H+NaCOOH"	66.980151
"123076"	367.023702	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+2Cl"	69.938804
"559355"	533.050852	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+2Cl"	69.938804
"1030341"	200.996552	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2Cl"	69.938804
"1251014"	410.973185	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Br"	78.918885
"1315648"	413.029172	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Cl+HCOOH"	80.974872
"1329864"	435.011129	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Cl+NaCOOH"	102.956829
"920922"	445.039886	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M-H+CF3COOH"	112.985586
"1289246"	481.016564	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Cl+CF3COOH"	148.962264
"1371419"	297.041624	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H-2H2O"	-35.012676
"1384541"	315.0516	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H-H2O"	-17.0027
"288602"	665.115876	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+H"	1.007276
"689771"	997.170176	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+H"	1.007276
"1359559"	333.061576	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H"	1.007276
"133542"	333.061576	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+2H"	2.014552
"578572"	499.088726	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+2H"	2.014552
"1046277"	167.034426	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2H"	2.014552
"215271"	222.376809333333	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+3H"	3.021828
"652645"	333.061576	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+3H"	3.021828
"1168583"	111.692042666667	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+3H"	3.021828
"437322"	682.142423	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+NH4"	18.033823
"796130"	1014.196723	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+NH4"	18.033823
"1691367"	350.088123	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+NH4"	18.033823
"340744"	341.5748495	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+H+NH4"	19.041099
"730977"	507.6019995	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+H+NH4"	19.041099
"1485891"	175.5476995	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H+NH4"	19.041099
"399105"	687.097818	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+Na"	22.989218
"756088"	1019.152118	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+Na"	22.989218
"1606009"	355.043518	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Na"	22.989218
"316407"	344.052547	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+H+Na"	23.996494
"708103"	510.079697	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+H+Na"	23.996494
"1461923"	178.025397	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H+Na"	23.996494
"1053384"	119.019356666667	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2H+Na"	25.00377
"1258304"	365.087786	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+CH3OH+H"	33.033486
"377722"	703.071758	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+K"	38.963158
"740056"	1035.126058	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+K"	38.963158
"1540532"	371.017458	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+K"	38.963158
"301489"	352.039517	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+H+K"	39.970434
"701570"	518.066667	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+H+K"	39.970434
"1458667"	186.012367	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H+K"	39.970434
"245084"	706.142426	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+ACN+H"	42.033826
"1221077"	374.088126	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+ACN+H"	42.033826
"1201679"	187.547701	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+ACN+2H"	43.041102
"200019"	709.07976	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+2Na-H"	44.97116
"637392"	1041.13406	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+2Na-H"	44.97116
"1140899"	377.02546	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2Na-H"	44.97116
"180910"	355.043518	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+2Na"	45.978436
"621565"	521.070668	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+2Na"	45.978436
"1123977"	189.016368	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2Na"	45.978436
"1407502"	126.346670666667	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H+2Na"	46.985712
"1438523"	379.067046	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H+HCOOH"	47.012746
"226032"	360.07654	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+3H2O+2H"	56.04448
"1515187"	393.11909	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+IsoProp+H"	61.06479
"419247"	363.030488	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+Na+K"	61.952376
"775868"	529.057638	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+Na+K"	61.952376
"1668188"	197.003338	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Na+K"	61.952376
"253614"	728.124368	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+ACN+Na"	64.015768
"1227052"	396.070068	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+ACN+Na"	64.015768
"1713385"	396.093593	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+NH4+HCOOH"	64.039293
"1179590"	133.673984666667	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+3Na"	68.967654
"1657759"	401.048988	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Na+HCOOH"	68.994688
"162433"	741.02764	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+2K-H"	76.91904
"608555"	1073.08194	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+2K-H"	76.91904
"1095255"	408.97334	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2K-H"	76.91904
"153165"	371.017458	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"2M+2K"	77.926316
"587257"	537.044608	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"3M+2K"	77.926316
"1076146"	204.990308	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2K"	77.926316
"1111542"	410.987892	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2K+H"	78.933592
"1347927"	411.075507	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+DMSO+H"	79.021207
"1016457"	415.114676	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2ACN+H"	83.060376
"1529115"	416.108308	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+IsoProp+Na+H"	84.054008
"996657"	208.060976	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+2ACN+2H"	84.067652
"1589337"	417.022928	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+K+HCOOH"	84.968628
"1416823"	447.054438	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+H+CF3COOH"	115.000138
"1150393"	228.574251	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+3ACN+2H"	125.094202
"1703225"	464.080985	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+NH4+CF3COOH"	132.026685
"1636687"	469.03638	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+Na+CF3COOH"	136.98208
"1573436"	485.01032	"C17118"	"Elatol;()-Elatol"	"C15H22BrClO"	"332.0543"	"M+K+CF3COOH"	152.95602
"802708"	204.1878	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M"	0
"987177"	185.16941	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"77609"	135.117924	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"514986"	203.180524	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"886228"	67.055324	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"11362"	203.180524	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"447643"	305.274424	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"825445"	101.086624	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"84343"	407.368324	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"523903"	611.556124	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"900974"	203.180524	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"57171"	424.394871	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"500010"	628.582671	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"872349"	220.207071	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44993"	429.350266	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"484916"	633.538066	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"855425"	225.162466	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1628238"	225.162466	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99299"	221.168863	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"543236"	323.262763	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931285"	119.074963	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"273121"	443.345002	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664448"	647.532802	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1276123"	239.157202	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"25972"	445.324206	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"463347"	649.512006	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"834588"	241.136406	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1556133"	241.136406	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"949241"	249.185994	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"370742"	453.373801	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"349157"	467.389451	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1497989"	263.201651	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"964438"	271.167951	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120999"	239.157202	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"555091"	341.251102	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1029357"	137.063302	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251123"	283.106685	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1311384"	285.162672	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1327787"	307.144629	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"913743"	317.173386	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1288590"	353.150064	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1371529"	169.175124	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1387933"	187.1851	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"294181"	409.382876	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"689517"	613.570676	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1358576"	205.195076	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H"	1.007276
"138027"	205.195076	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"572121"	307.288976	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1042012"	103.101176	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"208820"	137.132476	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"652756"	205.195076	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1169788"	69.069876	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433058"	426.409423	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"792958"	630.597223	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684188"	222.221623	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"337572"	213.7083495	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"727806"	315.8022495	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1483815"	111.6144495	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396299"	431.364818	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"756564"	635.552618	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604662"	227.177018	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315427"	216.186047	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708334"	318.279947	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1462519"	114.092147	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053452"	76.39719	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257684"	237.221286	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"378198"	447.338758	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739197"	651.526558	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1543322"	243.150958	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+K"	38.963158
"303051"	224.173017	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692920"	326.266917	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447476"	122.079117	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246287"	450.409426	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1216810"	246.221626	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1201789"	123.614451	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"200129"	453.34676	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"637502"	657.53456	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1141009"	249.15896	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"185394"	227.177018	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624228"	329.270918	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1126275"	125.083118	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1405426"	83.724504	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1438633"	251.200546	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"226141"	232.21004	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1509828"	265.25259	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"422395"	235.163988	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"778165"	337.257888	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1673766"	133.070088	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"254454"	472.391368	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1227161"	268.203568	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1713495"	268.227093	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1178728"	91.051818	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1657867"	273.182488	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"162543"	485.29464	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"606479"	689.48244	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095366"	281.10684	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151089"	243.150958	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"584086"	345.244858	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1076256"	141.057058	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110559"	283.121392	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344757"	283.209007	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1015474"	287.248176	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531412"	288.241808	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001140"	144.127726	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1591270"	289.156428	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1419119"	319.187938	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1147587"	164.641001	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1703335"	336.214485	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637891"	341.16988	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573546"	357.14382	"C17120"	"beta-Gurjunene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"809379"	411.9804	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M"	0
"986194"	392.96201	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-H2O-H"	-19.01839
"78010"	273.646324	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M-3H"	-3.021828
"517851"	410.973124	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M-3H"	-3.021828
"891804"	136.319524	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-3H"	-3.021828
"10378"	410.973124	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M-2H"	-2.014552
"451033"	616.963324	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M-2H"	-2.014552
"828835"	204.982924	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-2H"	-2.014552
"85547"	822.953524	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M-H"	-1.007276
"526199"	1234.933924	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M-H"	-1.007276
"905093"	410.973124	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-H"	-1.007276
"56188"	839.980071	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M-2H+NH4"	16.019271
"500124"	1251.960471	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M-2H+NH4"	16.019271
"873549"	427.999671	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-2H+NH4"	16.019271
"45831"	844.935466	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M-2H+Na"	20.974666
"485027"	1256.915866	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M-2H+Na"	20.974666
"861003"	432.955066	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-2H+Na"	20.974666
"1633573"	432.955066	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Na-2H"	20.974666
"109618"	428.961463	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M-H+Cl"	33.962126
"545532"	634.951663	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M-H+Cl"	33.962126
"934675"	222.971263	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-H+Cl"	33.962126
"273232"	858.930202	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+Cl"	34.969402
"663465"	1270.910602	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+Cl"	34.969402
"1276597"	446.949802	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Cl"	34.969402
"27175"	860.909406	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M-2H+K"	36.948606
"465644"	1272.889806	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M-2H+K"	36.948606
"837980"	448.929006	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-2H+K"	36.948606
"1561470"	448.929006	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+K-2H"	36.948606
"951537"	456.978594	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-H+HCOOH"	44.998194
"373040"	868.959001	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+HCOOH-H"	44.998201
"352548"	882.974651	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+Hac-H"	59.013851
"1497734"	470.994251	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Hac-H"	59.013851
"971475"	478.960551	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-H+NaCOOH"	66.980151
"121109"	446.949802	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+2Cl"	69.938804
"561762"	652.940002	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+2Cl"	69.938804
"1030561"	240.959602	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2Cl"	69.938804
"1254514"	490.899285	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Br"	78.918885
"1314776"	492.955272	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Cl+HCOOH"	80.974872
"1327898"	514.937229	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Cl+NaCOOH"	102.956829
"916769"	524.965986	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M-H+CF3COOH"	112.985586
"1288737"	560.942664	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Cl+CF3COOH"	148.962264
"1371639"	376.967724	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H-2H2O"	-35.012676
"1388043"	394.9777	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H-H2O"	-17.0027
"291011"	824.968076	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+H"	1.007276
"684524"	1236.948476	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+H"	1.007276
"1358686"	412.987676	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H"	1.007276
"139230"	412.987676	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+2H"	2.014552
"577698"	618.977876	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+2H"	2.014552
"1045403"	206.997476	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2H"	2.014552
"211117"	275.660876	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+3H"	3.021828
"652866"	412.987676	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+3H"	3.021828
"1169898"	138.334076	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+3H"	3.021828
"429158"	841.994623	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+NH4"	18.033823
"794161"	1253.975023	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+NH4"	18.033823
"1688307"	430.014223	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+NH4"	18.033823
"334402"	421.5009495	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+H+NH4"	19.041099
"730104"	627.4911495	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+H+NH4"	19.041099
"1485018"	215.5107495	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H+NH4"	19.041099
"398232"	846.950018	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+Na"	22.989218
"755946"	1258.930418	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+Na"	22.989218
"1604408"	434.969618	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Na"	22.989218
"316263"	423.978647	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+H+Na"	23.996494
"710147"	629.968847	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+H+Na"	23.996494
"1463237"	217.988447	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H+Na"	23.996494
"1054659"	145.66139	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2H+Na"	25.00377
"1258889"	445.013886	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+CH3OH+H"	33.033486
"380012"	862.923958	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+K"	38.963158
"741375"	1274.904358	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+K"	38.963158
"1542339"	450.943558	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+K"	38.963158
"300974"	431.965617	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+H+K"	39.970434
"693030"	637.955817	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+H+K"	39.970434
"1446858"	225.975417	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H+K"	39.970434
"246397"	865.994626	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+ACN+H"	42.033826
"1216920"	454.014226	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+ACN+H"	42.033826
"1200804"	227.510751	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+ACN+2H"	43.041102
"195865"	868.93196	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+2Na-H"	44.97116
"631779"	1280.91236	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+2Na-H"	44.97116
"1135285"	456.95156	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2Na-H"	44.97116
"183315"	434.969618	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+2Na"	45.978436
"621782"	640.959818	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+2Na"	45.978436
"1126384"	228.979418	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2Na"	45.978436
"1404439"	152.988704	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H+2Na"	46.985712
"1435094"	458.993146	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H+HCOOH"	47.012746
"225157"	440.00264	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+3H2O+2H"	56.04448
"1509938"	473.04519	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+IsoProp+H"	61.06479
"422748"	442.956588	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+Na+K"	61.952376
"782649"	648.946788	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+Na+K"	61.952376
"1671325"	236.966388	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Na+K"	61.952376
"253106"	887.976568	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+ACN+Na"	64.015768
"1226905"	475.996168	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+ACN+Na"	64.015768
"1713604"	476.019693	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+NH4+HCOOH"	64.039293
"1178957"	160.316018	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+3Na"	68.967654
"1652869"	480.975088	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Na+HCOOH"	68.994688
"163746"	900.87984	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+2K-H"	76.91904
"602213"	1312.86024	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+2K-H"	76.91904
"1090007"	488.89944	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2K-H"	76.91904
"147917"	450.943558	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"2M+2K"	77.926316
"585290"	656.933758	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"3M+2K"	77.926316
"1076364"	244.953358	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2K"	77.926316
"1103013"	490.913992	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2K+H"	78.933592
"1339399"	491.001607	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+DMSO+H"	79.021207
"1012303"	495.040776	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2ACN+H"	83.060376
"1537841"	496.034408	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+IsoProp+Na+H"	84.054008
"1001250"	248.024026	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+2ACN+2H"	84.067652
"1596848"	496.949028	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+K+HCOOH"	84.968628
"1419230"	526.980538	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+H+CF3COOH"	115.000138
"1150613"	268.537301	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+3ACN+2H"	125.094202
"1704538"	544.007085	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+NH4+CF3COOH"	132.026685
"1638001"	548.96248	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+Na+CF3COOH"	136.98208
"1575843"	564.93642	"C17121"	"Obtusol;Spiro(55)undecan-3-ol 29-dibromo-8-chloro-119-trimethyl-5-methylene- (2S3R6S8S9S)-"	"C15H23Br2ClO"	"411.9804"	"M+K+CF3COOH"	152.95602
"812769"	428.4018	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M"	0
"987399"	409.38341	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-H2O-H"	-19.01839
"77789"	284.593924	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M-3H"	-3.021828
"517961"	427.394524	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M-3H"	-3.021828
"891915"	141.793324	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-3H"	-3.021828
"9395"	427.394524	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M-2H"	-2.014552
"447863"	641.595424	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M-2H"	-2.014552
"824571"	213.193624	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-2H"	-2.014552
"85654"	855.796324	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M-H"	-1.007276
"530680"	1284.198124	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M-H"	-1.007276
"903014"	427.394524	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-H"	-1.007276
"49733"	872.822871	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M-2H+NH4"	16.019271
"496949"	1301.224671	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M-2H+NH4"	16.019271
"870378"	444.421071	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-2H+NH4"	16.019271
"42653"	877.778266	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M-2H+Na"	20.974666
"476746"	1306.180066	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M-2H+Na"	20.974666
"857829"	449.376466	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-2H+Na"	20.974666
"1625540"	449.376466	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Na-2H"	20.974666
"103891"	445.382863	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M-H+Cl"	33.962126
"539809"	659.583763	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M-H+Cl"	33.962126
"934785"	231.181963	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-H+Cl"	33.962126
"273341"	891.773002	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+Cl"	34.969402
"662843"	1320.174802	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+Cl"	34.969402
"1279259"	463.371202	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Cl"	34.969402
"28378"	893.752206	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M-2H+K"	36.948606
"470941"	1322.154006	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M-2H+K"	36.948606
"842463"	465.350406	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-2H+K"	36.948606
"1562672"	465.350406	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+K-2H"	36.948606
"945087"	473.399994	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-H+HCOOH"	44.998194
"374243"	901.801801	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+HCOOH-H"	44.998201
"353751"	915.817451	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+Hac-H"	59.013851
"1502580"	487.415651	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Hac-H"	59.013851
"972313"	495.381951	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-H+NaCOOH"	66.980151
"121219"	463.371202	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+2Cl"	69.938804
"559684"	677.572102	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+2Cl"	69.938804
"1026297"	249.170302	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2Cl"	69.938804
"1248062"	507.320685	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Br"	78.918885
"1307229"	509.376672	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Cl+HCOOH"	80.974872
"1325091"	531.358629	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Cl+NaCOOH"	102.956829
"916878"	541.387386	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M-H+CF3COOH"	112.985586
"1289211"	577.364064	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Cl+CF3COOH"	148.962264
"1367493"	393.389124	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H-2H2O"	-35.012676
"1385236"	411.3991	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H-H2O"	-17.0027
"290026"	857.810876	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+H"	1.007276
"679166"	1286.212676	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+H"	1.007276
"1360983"	429.409076	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H"	1.007276
"139340"	429.409076	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+2H"	2.014552
"578902"	643.609976	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+2H"	2.014552
"1046607"	215.208176	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2H"	2.014552
"207218"	286.608476	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+3H"	3.021828
"652976"	429.409076	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+3H"	3.021828
"1170008"	143.807876	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+3H"	3.021828
"434372"	874.837423	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+NH4"	18.033823
"794271"	1303.239223	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+NH4"	18.033823
"1687324"	446.435623	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+NH4"	18.033823
"333417"	437.9223495	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+H+NH4"	19.041099
"724746"	652.1232495	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+H+NH4"	19.041099
"1481848"	223.7214495	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H+NH4"	19.041099
"396155"	879.792818	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+Na"	22.989218
"757149"	1308.194618	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+Na"	22.989218
"1604396"	451.391018	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Na"	22.989218
"316252"	440.400047	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+H+Na"	23.996494
"709162"	654.600947	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+H+Na"	23.996494
"1463710"	226.199147	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H+Na"	23.996494
"1054768"	151.13519	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2H+Na"	25.00377
"1258632"	461.435286	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+CH3OH+H"	33.033486
"379393"	895.766758	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+K"	38.963158
"741846"	1324.168558	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+K"	38.963158
"1540983"	467.364958	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+K"	38.963158
"300720"	448.387017	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+H+K"	39.970434
"692046"	662.587917	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+H+K"	39.970434
"1446968"	234.186117	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H+K"	39.970434
"244320"	898.837426	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+ACN+H"	42.033826
"1217030"	470.435626	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+ACN+H"	42.033826
"1200914"	235.721451	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+ACN+2H"	43.041102
"194151"	901.77476	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+2Na-H"	44.97116
"633345"	1330.17656	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+2Na-H"	44.97116
"1136851"	473.37296	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2Na-H"	44.97116
"176131"	451.391018	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+2Na"	45.978436
"616788"	665.591918	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+2Na"	45.978436
"1125400"	237.190118	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2Na"	45.978436
"1405277"	158.462504	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H+2Na"	46.985712
"1435935"	475.414546	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H+HCOOH"	47.012746
"223077"	456.42404	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+3H2O+2H"	56.04448
"1510411"	489.46659	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+IsoProp+H"	61.06479
"421764"	459.377988	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+Na+K"	61.952376
"779479"	673.578888	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+Na+K"	61.952376
"1671800"	245.177088	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Na+K"	61.952376
"256132"	920.819368	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+ACN+Na"	64.015768
"1228474"	492.417568	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+ACN+Na"	64.015768
"1714446"	492.441093	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+NH4+HCOOH"	64.039293
"1179552"	165.789818	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+3Na"	68.967654
"1653712"	497.396488	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Na+HCOOH"	68.994688
"163856"	933.72264	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+2K-H"	76.91904
"602323"	1362.12444	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+2K-H"	76.91904
"1090117"	505.32084	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2K-H"	76.91904
"148027"	467.364958	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"2M+2K"	77.926316
"586494"	681.565858	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"3M+2K"	77.926316
"1076474"	253.164058	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2K"	77.926316
"1106402"	507.335392	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2K+H"	78.933592
"1342789"	507.423007	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+DMSO+H"	79.021207
"1012413"	511.462176	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2ACN+H"	83.060376
"1531632"	512.455808	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+IsoProp+Na+H"	84.054008
"995893"	256.234726	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+2ACN+2H"	84.067652
"1593678"	513.370428	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+K+HCOOH"	84.968628
"1419340"	543.401938	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+H+CF3COOH"	115.000138
"1150723"	276.748001	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+3ACN+2H"	125.094202
"1701368"	560.428485	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+NH4+CF3COOH"	132.026685
"1641391"	565.38388	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+Na+CF3COOH"	136.98208
"1575953"	581.35782	"C17123"	"epi-Friedelanol;beta-Friedelinol"	"C30H52O"	"428.4018"	"M+K+CF3COOH"	152.95602
"808509"	222.1984	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M"	0
"982042"	203.18001	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"67004"	147.124990666667	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"510941"	221.191124	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"883275"	73.0588573333333	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"9506"	221.191124	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"447970"	332.290324	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"823587"	110.091924	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"86859"	443.389524	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"528604"	665.587924	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"904220"	221.191124	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"56407"	460.416071	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"494873"	682.614471	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"870487"	238.217671	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"38390"	465.371466	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"480138"	687.569866	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"855024"	243.173066	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1622370"	243.173066	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"98538"	239.179463	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"540286"	350.278663	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"932708"	128.080263	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"267981"	479.366202	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"669155"	701.564602	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1284839"	257.167802	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"27399"	481.345406	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"464773"	703.543806	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"842576"	259.147006	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1560595"	259.147006	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"953952"	267.196594	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"372161"	489.395001	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"356044"	503.410651	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1502691"	281.212251	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"970231"	289.178551	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"116954"	257.167802	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"559795"	368.267002	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1027500"	146.068602	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1248172"	301.117285	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1309526"	303.173272	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1322649"	325.155229	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"914802"	335.183986	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1288995"	371.160664	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1367355"	187.185724	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1383888"	205.1957	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"282958"	445.404076	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"679277"	667.602476	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1358908"	223.205676	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"139454"	223.205676	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"574638"	334.304876	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1046717"	112.106476	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"206597"	149.139542666667	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"647618"	223.205676	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1167929"	75.0734093333333	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"431202"	462.430623	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"791104"	684.629023	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1685251"	240.232223	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"335716"	231.7189495	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"727047"	342.8181495	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1478677"	120.6197495	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"392979"	467.386018	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"754250"	689.584418	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1603410"	245.187618	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"314377"	234.196647	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"707448"	345.295847	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1462358"	123.097447	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1053175"	82.4007233333333	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1257283"	255.231886	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"377231"	483.359958	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"738677"	705.558358	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1542197"	261.161558	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"298882"	242.183617	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"698725"	353.282817	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1455828"	131.084417	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"245527"	486.430626	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1216048"	264.232226	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1194946"	132.619751	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"194990"	489.36796	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"632362"	711.56636	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1136961"	267.16956	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"184630"	245.187618	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"626377"	356.286818	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1120769"	134.088418	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1404293"	89.7280373333333	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1437869"	269.211146	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"228658"	250.22064	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1511981"	283.26319	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"415314"	253.174588	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"777402"	364.273788	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1668264"	142.075388	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"251620"	508.412568	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1226032"	286.214168	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1714196"	286.237693	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1180644"	97.0553513333333	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1658200"	291.193088	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"167248"	521.31584	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"605715"	743.51424	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1089134"	299.11744	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"154699"	261.161558	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"586604"	372.260758	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1074399"	150.062358	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1106512"	301.131992	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1342899"	301.219607	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1015804"	305.258776	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1529556"	306.252408	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"996005"	153.133026	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1591601"	307.167028	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1416897"	337.198538	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1150833"	173.646301	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1704759"	354.225085	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1642596"	359.18048	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1576063"	375.15442	"C17124"	"gamma-Eudesmol;Machilol;Selinenol;Uncineol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"803147"	154.1358	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M"	0
"986524"	135.11741	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"71488"	101.749924	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"514333"	153.128524	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"881197"	50.371324	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"6336"	153.128524	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"450269"	230.196424	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"825885"	76.060624	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"85877"	307.264324	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"530903"	461.400124	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"899230"	153.128524	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"56518"	324.290871	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"501669"	478.426671	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"868776"	170.155071	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"39591"	329.246266	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"478059"	483.382066	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"854769"	175.110466	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1622480"	175.110466	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"101924"	171.116863	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"537114"	248.184763	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"928805"	94.048963	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"270281"	343.241002	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"669265"	497.376802	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1286042"	189.105202	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"29334"	345.220206	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"463789"	499.356006	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"839406"	191.084406	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1562892"	191.084406	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"956979"	199.133994	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"371178"	353.269801	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"355061"	367.285451	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1501708"	213.149651	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"969248"	221.115951	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"115971"	189.105202	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"554438"	266.173102	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1027611"	112.037302	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1249377"	233.054685	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1308544"	235.110672	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321667"	257.092629	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"911993"	267.121386	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1289188"	303.098064	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1367709"	119.123124	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1383025"	137.1331	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"283189"	309.278876	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"676706"	463.414676	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1351605"	155.143076	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H"	1.007276
"140661"	155.143076	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"570377"	232.210976	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1042455"	78.075176	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"210357"	103.764476	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"648824"	155.143076	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1170229"	52.385876	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"429126"	326.305423	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"791214"	480.441223	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1682810"	172.169623	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"333641"	163.6563495	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"725335"	240.7242495	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1479515"	86.5884495	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"393217"	331.260818	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"756282"	485.396618	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1605218"	177.125018	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"314408"	166.134047	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"708648"	243.201947	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1462475"	89.066147	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1053651"	59.71319	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1257518"	187.169286	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"377510"	347.234758	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"738830"	501.370558	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1540362"	193.098958	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+K"	38.963158
"299030"	174.121017	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"691730"	251.188917	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1450470"	97.053117	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"237612"	350.305426	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1217250"	196.169626	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1197854"	98.588451	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"192911"	353.24276	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"633565"	507.37856	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1137071"	199.10696	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"182552"	177.125018	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"623207"	254.192918	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1119786"	100.057118	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1405861"	67.040504	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1437979"	201.148546	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"225487"	182.15804	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1511360"	215.20059	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"415423"	185.111988	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"776419"	262.179888	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1666551"	108.044088	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"251973"	372.287368	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1226501"	218.151568	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1712848"	218.175093	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1179296"	74.367818	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1656124"	223.130488	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"165173"	385.19064	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"606920"	539.32644	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1089244"	231.05484	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"154690"	193.098958	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"596073"	270.166858	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1078885"	116.031058	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1109905"	233.069392	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1344102"	233.157007	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1018709"	237.196176	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1529666"	238.189808	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"995021"	119.101726	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1596086"	239.104428	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1416276"	269.135938	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1152037"	139.615001	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1707057"	286.162485	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1643800"	291.11788	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1576173"	307.09182	"C17125"	"(-)-Isomenthone;l-Isomenthone"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"803257"	316.0947	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M"	0
"985539"	297.07631	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-H2O-H"	-19.01839
"71598"	209.722524	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M-3H"	-3.021828
"513350"	315.087424	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M-3H"	-3.021828
"880335"	104.357624	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-3H"	-3.021828
"4623"	315.087424	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M-2H"	-2.014552
"448192"	473.134774	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M-2H"	-2.014552
"824901"	157.040074	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-2H"	-2.014552
"84893"	631.182124	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M-H"	-1.007276
"523358"	947.276824	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M-H"	-1.007276
"900432"	315.087424	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-H"	-1.007276
"57721"	648.208671	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M-2H+NH4"	16.019271
"498374"	964.303371	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M-2H+NH4"	16.019271
"868519"	332.113971	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-2H+NH4"	16.019271
"36784"	653.164066	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M-2H+Na"	20.974666
"475616"	969.258766	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M-2H+Na"	20.974666
"851230"	337.069366	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-2H+Na"	20.974666
"1624412"	337.069366	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Na-2H"	20.974666
"95472"	333.075763	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M-H+Cl"	33.962126
"536490"	491.123113	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M-H+Cl"	33.962126
"929640"	175.028413	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-H+Cl"	33.962126
"270391"	667.158802	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+Cl"	34.969402
"668282"	983.253502	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+Cl"	34.969402
"1283966"	351.064102	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Cl"	34.969402
"29078"	669.138006	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M-2H+K"	36.948606
"463899"	985.232706	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M-2H+K"	36.948606
"841702"	353.043306	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-2H+K"	36.948606
"1563002"	353.043306	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+K-2H"	36.948606
"950884"	361.092894	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-H+HCOOH"	44.998194
"370199"	677.187601	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+HCOOH-H"	44.998201
"355171"	691.203251	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+Hac-H"	59.013851
"1499630"	375.108551	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Hac-H"	59.013851
"967171"	383.074851	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-H+NaCOOH"	66.980151
"117174"	351.064102	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+2Cl"	69.938804
"554548"	509.111452	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+2Cl"	69.938804
"1024441"	193.016752	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2Cl"	69.938804
"1249487"	395.013585	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Br"	78.918885
"1308654"	397.069572	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Cl+HCOOH"	80.974872
"1321898"	419.051529	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Cl+NaCOOH"	102.956829
"912832"	429.080286	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M-H+CF3COOH"	112.985586
"1289419"	465.056964	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Cl+CF3COOH"	148.962264
"1368549"	281.082024	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H-2H2O"	-35.012676
"1383617"	299.092	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H-H2O"	-17.0027
"284154"	633.196676	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+H"	1.007276
"677305"	949.291376	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+H"	1.007276
"1351632"	317.101976	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H"	1.007276
"138583"	317.101976	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+2H"	2.014552
"569393"	475.149326	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+2H"	2.014552
"1040378"	159.054626	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2H"	2.014552
"209373"	211.737076	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+3H"	3.021828
"650025"	317.101976	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+3H"	3.021828
"1167058"	106.372176	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+3H"	3.021828
"428143"	650.223223	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+NH4"	18.033823
"789865"	966.317923	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+NH4"	18.033823
"1684378"	334.128523	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+NH4"	18.033823
"333750"	325.6152495	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+H+NH4"	19.041099
"725445"	483.6625995	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+H+NH4"	19.041099
"1480354"	167.5678995	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H+NH4"	19.041099
"393571"	655.178618	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+Na"	22.989218
"754685"	971.273318	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+Na"	22.989218
"1604482"	339.083918	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Na"	22.989218
"315009"	328.092947	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+H+Na"	23.996494
"709247"	486.140297	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+H+Na"	23.996494
"1464045"	170.045597	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H+Na"	23.996494
"1054010"	113.69949	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2H+Na"	25.00377
"1258117"	349.128186	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+CH3OH+H"	33.033486
"377293"	671.152558	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+K"	38.963158
"739258"	987.247258	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+K"	38.963158
"1540838"	355.057858	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+K"	38.963158
"300321"	336.079917	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+H+K"	39.970434
"692255"	494.127267	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+H+K"	39.970434
"1449851"	178.032567	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H+K"	39.970434
"237358"	674.223226	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+ACN+H"	42.033826
"1216267"	358.128526	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+ACN+H"	42.033826
"1197234"	179.567901	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+ACN+2H"	43.041102
"191928"	677.16056	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+2Na-H"	44.97116
"633675"	993.25526	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+2Na-H"	44.97116
"1133901"	361.06586	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2Na-H"	44.97116
"177558"	339.083918	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+2Na"	45.978436
"621857"	497.131268	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+2Na"	45.978436
"1123541"	181.036568	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2Na"	45.978436
"1405242"	121.026804	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H+2Na"	46.985712
"1434075"	363.107446	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H+HCOOH"	47.012746
"222681"	344.11694	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+3H2O+2H"	56.04448
"1512198"	377.15949	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+IsoProp+H"	61.06479
"413346"	347.070888	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+Na+K"	61.952376
"776529"	505.118238	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+Na+K"	61.952376
"1668484"	189.023538	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Na+K"	61.952376
"252450"	696.205168	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+ACN+Na"	64.015768
"1226977"	380.110468	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+ACN+Na"	64.015768
"1713674"	380.133993	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+NH4+HCOOH"	64.039293
"1179151"	128.354118	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+3Na"	68.967654
"1656233"	385.089388	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Na+HCOOH"	68.994688
"164189"	709.10844	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+2K-H"	76.91904
"608123"	1025.20314	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+2K-H"	76.91904
"1088261"	393.01374	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2K-H"	76.91904
"154679"	355.057858	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"2M+2K"	77.926316
"595211"	513.105208	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"3M+2K"	77.926316
"1077901"	197.010508	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2K"	77.926316
"1108922"	395.028292	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2K+H"	78.933592
"1342026"	395.115907	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+DMSO+H"	79.021207
"1012744"	399.155076	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2ACN+H"	83.060376
"1528683"	400.148708	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+IsoProp+Na+H"	84.054008
"995131"	200.081176	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+2ACN+2H"	84.067652
"1590729"	401.063328	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+K+HCOOH"	84.968628
"1416386"	431.094838	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+H+CF3COOH"	115.000138
"1152147"	220.594451	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+3ACN+2H"	125.094202
"1707167"	448.121385	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+NH4+CF3COOH"	132.026685
"1645003"	453.07678	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+Na+CF3COOH"	136.98208
"1576283"	469.05072	"C17126"	"Neobyakangelicol"	"C17H16O6"	"316.0947"	"M+K+CF3COOH"	152.95602
"806647"	441.9546	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M"	0
"987836"	422.93621	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-H2O-H"	-19.01839
"74991"	293.629124	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M-3H"	-3.021828
"511273"	440.947324	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M-3H"	-3.021828
"885792"	146.310924	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-3H"	-3.021828
"6555"	440.947324	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M-2H"	-2.014552
"452675"	661.924624	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M-2H"	-2.014552
"827198"	219.970024	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-2H"	-2.014552
"91561"	882.901924	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M-H"	-1.007276
"526748"	1324.856524	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M-H"	-1.007276
"902365"	440.947324	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-H"	-1.007276
"58924"	899.928471	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M-2H+NH4"	16.019271
"499577"	1341.883071	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M-2H+NH4"	16.019271
"871182"	457.973871	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-2H+NH4"	16.019271
"36895"	904.883866	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M-2H+Na"	20.974666
"474631"	1346.838466	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M-2H+Na"	20.974666
"851341"	462.929266	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-2H+Na"	20.974666
"1622335"	462.929266	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Na-2H"	20.974666
"97405"	458.935663	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M-H+Cl"	33.962126
"536961"	679.912963	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M-H+Cl"	33.962126
"929753"	237.958363	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-H+Cl"	33.962126
"270501"	918.878602	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+Cl"	34.969402
"672765"	1360.833202	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+Cl"	34.969402
"1285169"	476.924002	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Cl"	34.969402
"29916"	920.857806	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M-2H+K"	36.948606
"465102"	1362.812406	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M-2H+K"	36.948606
"838533"	478.903206	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-2H+K"	36.948606
"1562019"	478.903206	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+K-2H"	36.948606
"950994"	486.952794	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-H+HCOOH"	44.998194
"370309"	928.907401	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+HCOOH-H"	44.998201
"352003"	942.923051	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+Hac-H"	59.013851
"1497557"	500.968451	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Hac-H"	59.013851
"967285"	508.934751	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-H+NaCOOH"	66.980151
"112912"	476.924002	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+2Cl"	69.938804
"551742"	697.901302	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+2Cl"	69.938804
"1027832"	255.946702	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2Cl"	69.938804
"1244130"	520.873485	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Br"	78.918885
"1306577"	522.929472	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Cl+HCOOH"	80.974872
"1320794"	544.911429	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Cl+NaCOOH"	102.956829
"913671"	554.940186	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M-H+CF3COOH"	112.985586
"1291111"	590.916864	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Cl+CF3COOH"	148.962264
"1369635"	406.941924	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H-2H2O"	-35.012676
"1383606"	424.9519	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H-H2O"	-17.0027
"285360"	884.916476	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+H"	1.007276
"678145"	1326.871076	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+H"	1.007276
"1352675"	442.961876	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H"	1.007276
"140151"	442.961876	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+2H"	2.014552
"570961"	663.939176	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+2H"	2.014552
"1047777"	221.984576	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2H"	2.014552
"209483"	295.643676	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+3H"	3.021828
"652322"	442.961876	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+3H"	3.021828
"1169355"	148.325476	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+3H"	3.021828
"432627"	901.943023	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+NH4"	18.033823
"793620"	1343.897623	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+NH4"	18.033823
"1684489"	459.988423	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+NH4"	18.033823
"333861"	451.4751495	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+H+NH4"	19.041099
"729564"	672.4524495	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+H+NH4"	19.041099
"1480468"	230.4978495	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H+NH4"	19.041099
"394411"	906.898418	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+Na"	22.989218
"755528"	1348.853018	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+Na"	22.989218
"1603501"	464.943818	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Na"	22.989218
"315723"	453.952847	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+H+Na"	23.996494
"709601"	674.930147	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+H+Na"	23.996494
"1462086"	232.975547	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H+Na"	23.996494
"1055213"	155.65279	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2H+Na"	25.00377
"1258347"	474.988086	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+CH3OH+H"	33.033486
"378015"	922.872358	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+K"	38.963158
"738925"	1364.826958	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+K"	38.963158
"1542162"	480.917758	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+K"	38.963158
"298970"	461.939817	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+H+K"	39.970434
"692852"	682.917117	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+H+K"	39.970434
"1451783"	240.962517	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H+K"	39.970434
"238199"	925.943026	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+ACN+H"	42.033826
"1219657"	483.988426	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+ACN+H"	42.033826
"1198802"	242.497851	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+ACN+2H"	43.041102
"192038"	928.88036	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+2Na-H"	44.97116
"633785"	1370.83496	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+2Na-H"	44.97116
"1135832"	486.92576	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2Na-H"	44.97116
"179854"	464.943818	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+2Na"	45.978436
"619415"	685.921118	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+2Na"	45.978436
"1123651"	243.966518	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2Na"	45.978436
"1402069"	162.980104	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H+2Na"	46.985712
"1436373"	488.967346	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H+HCOOH"	47.012746
"224976"	469.97684	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+3H2O+2H"	56.04448
"1517048"	503.01939	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+IsoProp+H"	61.06479
"417829"	472.930788	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+Na+K"	61.952376
"782105"	693.908088	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+Na+K"	61.952376
"1671510"	251.953488	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Na+K"	61.952376
"255476"	947.924968	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+ACN+Na"	64.015768
"1228185"	505.970368	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+ACN+Na"	64.015768
"1713425"	505.993893	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+NH4+HCOOH"	64.039293
"1178735"	170.307418	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+3Na"	68.967654
"1657437"	510.949288	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Na+HCOOH"	68.994688
"165393"	960.82824	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+2K-H"	76.91904
"611151"	1402.78284	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+2K-H"	76.91904
"1092746"	518.87364	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2K-H"	76.91904
"156370"	480.917758	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"2M+2K"	77.926316
"595200"	701.895058	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"3M+2K"	77.926316
"1083361"	259.940458	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2K"	77.926316
"1110855"	520.888192	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2K+H"	78.933592
"1345419"	520.975807	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+DMSO+H"	79.021207
"1014677"	525.014976	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2ACN+H"	83.060376
"1528793"	526.008608	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+IsoProp+Na+H"	84.054008
"998522"	263.011126	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+2ACN+2H"	84.067652
"1596306"	526.923228	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+K+HCOOH"	84.968628
"1421968"	556.954738	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+H+CF3COOH"	115.000138
"1157725"	283.524401	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+3ACN+2H"	125.094202
"1703997"	573.981285	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+NH4+CF3COOH"	132.026685
"1645113"	578.93668	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+Na+CF3COOH"	136.98208
"1576393"	594.91062	"C17127"	"Prepacifenol epoxide"	"C15H21Br2ClO3"	"441.9546"	"M+K+CF3COOH"	152.95602
"810038"	294.0619	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M"	0
"987948"	275.04351	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-H2O-H"	-19.01839
"77288"	195.033990666667	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M-3H"	-3.021828
"516849"	293.054624	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M-3H"	-3.021828
"888089"	97.0133573333333	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-3H"	-3.021828
"3384"	293.054624	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M-2H"	-2.014552
"452785"	440.085574	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M-2H"	-2.014552
"830588"	146.023674	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-2H"	-2.014552
"84018"	587.116524	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M-H"	-1.007276
"533787"	881.178424	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M-H"	-1.007276
"907943"	293.054624	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-H"	-1.007276
"53568"	604.143071	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M-2H+NH4"	16.019271
"494221"	898.204971	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M-2H+NH4"	16.019271
"867648"	310.081171	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-2H+NH4"	16.019271
"37736"	609.098466	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M-2H+Na"	20.974666
"478390"	903.160366	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M-2H+Na"	20.974666
"850359"	315.036566	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-2H+Na"	20.974666
"1620133"	315.036566	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Na-2H"	20.974666
"97881"	311.042963	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M-H+Cl"	33.962126
"536348"	458.073913	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M-H+Cl"	33.962126
"933146"	164.012013	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-H+Cl"	33.962126
"270611"	623.093202	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+Cl"	34.969402
"673847"	917.155102	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+Cl"	34.969402
"1286372"	329.031302	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Cl"	34.969402
"31332"	625.072406	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M-2H+K"	36.948606
"465211"	919.134306	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M-2H+K"	36.948606
"837550"	331.010506	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-2H+K"	36.948606
"1561036"	331.010506	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+K-2H"	36.948606
"948917"	339.060094	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-H+HCOOH"	44.998194
"373699"	633.122001	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+HCOOH-H"	44.998201
"348468"	647.137651	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+Hac-H"	59.013851
"1500948"	353.075751	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Hac-H"	59.013851
"965208"	361.042051	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-H+NaCOOH"	66.980151
"117397"	329.031302	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+2Cl"	69.938804
"558050"	476.062252	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+2Cl"	69.938804
"1029037"	182.000352	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2Cl"	69.938804
"1247522"	372.980785	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Br"	78.918885
"1308876"	375.036772	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Cl+HCOOH"	80.974872
"1329651"	397.018729	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Cl+NaCOOH"	102.956829
"916336"	407.047486	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M-H+CF3COOH"	112.985586
"1291952"	443.024164	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Cl+CF3COOH"	148.962264
"1369019"	259.049224	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H-2H2O"	-35.012676
"1383111"	277.0592	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H-H2O"	-17.0027
"284742"	589.131076	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+H"	1.007276
"678624"	883.192976	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+H"	1.007276
"1353879"	295.069176	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H"	1.007276
"136612"	295.069176	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+2H"	2.014552
"575083"	442.100126	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+2H"	2.014552
"1039872"	148.038226	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2H"	2.014552
"215428"	197.048542666667	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+3H"	3.021828
"654621"	295.069176	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+3H"	3.021828
"1170561"	99.0279093333333	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+3H"	3.021828
"432739"	606.157623	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+NH4"	18.033823
"791546"	900.219523	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+NH4"	18.033823
"1688974"	312.095723	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+NH4"	18.033823
"335065"	303.5824495	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+H+NH4"	19.041099
"728581"	450.6133995	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+H+NH4"	19.041099
"1479120"	156.5514995	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H+NH4"	19.041099
"395249"	611.113018	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+Na"	22.989218
"756611"	905.174918	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+Na"	22.989218
"1603612"	317.051118	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Na"	22.989218
"318020"	306.060147	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+H+Na"	23.996494
"707281"	453.091097	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+H+Na"	23.996494
"1462802"	159.029197	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H+Na"	23.996494
"1053378"	106.355223333333	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2H+Na"	25.00377
"1259189"	327.095386	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+CH3OH+H"	33.033486
"378612"	627.086958	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+K"	38.963158
"738878"	921.148858	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+K"	38.963158
"1540080"	333.025058	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+K"	38.963158
"298639"	314.047117	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+H+K"	39.970434
"691662"	461.078067	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+H+K"	39.970434
"1454083"	167.016167	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H+K"	39.970434
"242684"	630.157626	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+ACN+H"	42.033826
"1219767"	336.095726	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+ACN+H"	42.033826
"1204746"	168.551501	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+ACN+2H"	43.041102
"195429"	633.09496	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+2Na-H"	44.97116
"637176"	927.15686	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+2Na-H"	44.97116
"1140682"	339.03306	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2Na-H"	44.97116
"177412"	317.051118	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+2Na"	45.978436
"620254"	464.082068	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+2Na"	45.978436
"1119020"	170.020168	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2Na"	45.978436
"1402179"	113.682537333333	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H+2Na"	46.985712
"1439399"	341.074646	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H+HCOOH"	47.012746
"229096"	322.08414	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+3H2O+2H"	56.04448
"1516064"	355.12669	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+IsoProp+H"	61.06479
"417939"	325.038088	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+Na+K"	61.952376
"778934"	472.069038	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+Na+K"	61.952376
"1671985"	178.007138	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Na+K"	61.952376
"253763"	652.139568	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+ACN+Na"	64.015768
"1227937"	358.077668	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+ACN+Na"	64.015768
"1713049"	358.101193	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+NH4+HCOOH"	64.039293
"1179986"	121.009851333333	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+3Na"	68.967654
"1658639"	363.056588	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Na+HCOOH"	68.994688
"167690"	665.04284	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+2K-H"	76.91904
"610897"	959.10474	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+2K-H"	76.91904
"1096136"	370.98094	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2K-H"	76.91904
"156993"	333.025058	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"2M+2K"	77.926316
"596290"	480.056008	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"3M+2K"	77.926316
"1079214"	185.994108	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2K"	77.926316
"1106956"	372.995492	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2K+H"	78.933592
"1347715"	373.083107	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+DMSO+H"	79.021207
"1016245"	377.122276	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2ACN+H"	83.060376
"1531090"	378.115908	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+IsoProp+Na+H"	84.054008
"998633"	189.064776	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+2ACN+2H"	84.067652
"1599334"	379.030528	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+K+HCOOH"	84.968628
"1426453"	409.062038	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+H+CF3COOH"	115.000138
"1156743"	209.578051	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+3ACN+2H"	125.094202
"1707387"	426.088585	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+NH4+CF3COOH"	132.026685
"1647410"	431.04398	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+Na+CF3COOH"	136.98208
"1576503"	447.01792	"C17132"	"Aplysin"	"C15H19BrO"	"294.0619"	"M+K+CF3COOH"	152.95602
"803587"	294.0619	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M"	0
"979308"	275.04351	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-H2O-H"	-19.01839
"77400"	195.033990666667	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M-3H"	-3.021828
"515866"	293.054624	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M-3H"	-3.021828
"891482"	97.0133573333333	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-3H"	-3.021828
"12241"	293.054624	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M-2H"	-2.014552
"448522"	440.085574	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M-2H"	-2.014552
"824140"	146.023674	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-2H"	-2.014552
"83037"	587.116524	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M-H"	-1.007276
"519314"	881.178424	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M-H"	-1.007276
"904772"	293.054624	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-H"	-1.007276
"58051"	604.143071	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M-2H+NH4"	16.019271
"493237"	898.204971	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M-2H+NH4"	16.019271
"871037"	310.081171	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-2H+NH4"	16.019271
"35657"	609.098466	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M-2H+Na"	20.974666
"478500"	903.160366	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M-2H+Na"	20.974666
"853022"	315.036566	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-2H+Na"	20.974666
"1621823"	315.036566	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Na-2H"	20.974666
"96897"	311.042963	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M-H+Cl"	33.962126
"534754"	458.073913	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M-H+Cl"	33.962126
"932161"	164.012013	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-H+Cl"	33.962126
"269258"	623.093202	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+Cl"	34.969402
"670795"	917.155102	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+Cl"	34.969402
"1281012"	329.031302	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Cl"	34.969402
"24667"	625.072406	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M-2H+K"	36.948606
"465321"	919.134306	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M-2H+K"	36.948606
"840936"	331.010506	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-2H+K"	36.948606
"1562237"	331.010506	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+K-2H"	36.948606
"950120"	339.060094	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-H+HCOOH"	44.998194
"371622"	633.122001	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+HCOOH-H"	44.998201
"348944"	647.137651	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+Hac-H"	59.013851
"1498870"	353.075751	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Hac-H"	59.013851
"965318"	361.042051	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-H+NaCOOH"	66.980151
"117506"	329.031302	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+2Cl"	69.938804
"555973"	476.062252	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+2Cl"	69.938804
"1029147"	182.000352	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2Cl"	69.938804
"1249819"	372.980785	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Br"	78.918885
"1306799"	375.036772	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Cl+HCOOH"	80.974872
"1329761"	397.018729	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Cl+NaCOOH"	102.956829
"914259"	407.047486	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M-H+CF3COOH"	112.985586
"1292062"	443.024164	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Cl+CF3COOH"	148.962264
"1370222"	259.049224	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H-2H2O"	-35.012676
"1383140"	277.0592	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H-H2O"	-17.0027
"283758"	589.131076	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+H"	1.007276
"682014"	883.192976	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+H"	1.007276
"1355082"	295.069176	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H"	1.007276
"136722"	295.069176	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+2H"	2.014552
"574100"	442.100126	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+2H"	2.014552
"1046179"	148.038226	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2H"	2.014552
"215538"	197.048542666667	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+3H"	3.021828
"655463"	295.069176	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+3H"	3.021828
"1173950"	99.0279093333333	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+3H"	3.021828
"432849"	606.157623	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+NH4"	18.033823
"789834"	900.219523	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+NH4"	18.033823
"1686897"	312.095723	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+NH4"	18.033823
"337362"	303.5824495	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+H+NH4"	19.041099
"727599"	450.6133995	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+H+NH4"	19.041099
"1479595"	156.5514995	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H+NH4"	19.041099
"394631"	611.113018	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+Na"	22.989218
"756721"	905.174918	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+Na"	22.989218
"1602914"	317.051118	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Na"	22.989218
"314285"	306.060147	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+H+Na"	23.996494
"707634"	453.091097	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+H+Na"	23.996494
"1461428"	159.029197	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H+Na"	23.996494
"1053368"	106.355223333333	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2H+Na"	25.00377
"1257314"	327.095386	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+CH3OH+H"	33.033486
"377588"	627.086958	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+K"	38.963158
"739232"	921.148858	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+K"	38.963158
"1539904"	333.025058	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+K"	38.963158
"298569"	314.047117	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+H+K"	39.970434
"691392"	461.078067	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+H+K"	39.970434
"1450913"	167.016167	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H+K"	39.970434
"241701"	630.157626	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+ACN+H"	42.033826
"1215503"	336.095726	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+ACN+H"	42.033826
"1198292"	168.551501	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+ACN+2H"	43.041102
"195537"	633.09496	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+2Na-H"	44.97116
"631083"	927.15686	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+2Na-H"	44.97116
"1135685"	339.03306	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2Na-H"	44.97116
"176791"	317.051118	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+2Na"	45.978436
"619271"	464.082068	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+2Na"	45.978436
"1119494"	170.020168	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2Na"	45.978436
"1401194"	113.682537333333	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H+2Na"	46.985712
"1434405"	341.074646	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H+HCOOH"	47.012746
"222277"	322.08414	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+3H2O+2H"	56.04448
"1511433"	355.12669	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+IsoProp+H"	61.06479
"414402"	325.038088	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+Na+K"	61.952376
"776491"	472.069038	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+Na+K"	61.952376
"1673187"	178.007138	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Na+K"	61.952376
"256790"	652.139568	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+ACN+Na"	64.015768
"1228410"	358.077668	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+ACN+Na"	64.015768
"1712784"	358.101193	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+NH4+HCOOH"	64.039293
"1178720"	121.009851333333	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+3Na"	68.967654
"1656561"	363.056588	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Na+HCOOH"	68.994688
"170716"	665.04284	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+2K-H"	76.91904
"612714"	959.10474	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+2K-H"	76.91904
"1098315"	370.98094	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2K-H"	76.91904
"156597"	333.025058	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"2M+2K"	77.926316
"596482"	480.056008	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"3M+2K"	77.926316
"1082604"	185.994108	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2K"	77.926316
"1110347"	372.995492	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2K+H"	78.933592
"1346732"	373.083107	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+DMSO+H"	79.021207
"1015263"	377.122276	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2ACN+H"	83.060376
"1532293"	378.115908	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+IsoProp+Na+H"	84.054008
"999836"	189.064776	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+2ACN+2H"	84.067652
"1595435"	379.030528	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+K+HCOOH"	84.968628
"1425470"	409.062038	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+H+CF3COOH"	115.000138
"1159040"	209.578051	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+3ACN+2H"	125.094202
"1709684"	426.088585	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+NH4+CF3COOH"	132.026685
"1645333"	431.04398	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+Na+CF3COOH"	136.98208
"1576613"	447.01792	"C17133"	"Filiformin;(-)-Filiformin"	"C15H19BrO"	"294.0619"	"M+K+CF3COOH"	152.95602
"806977"	310.0568	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M"	0
"983791"	291.03841	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-H2O-H"	-19.01839
"76417"	205.697257333333	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M-3H"	-3.021828
"513789"	309.049524	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M-3H"	-3.021828
"890499"	102.344990666667	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-3H"	-3.021828
"10165"	309.049524	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M-2H"	-2.014552
"450820"	464.077924	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M-2H"	-2.014552
"829353"	154.021124	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-2H"	-2.014552
"88615"	619.106324	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M-H"	-1.007276
"525988"	929.163124	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M-H"	-1.007276
"907070"	309.049524	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-H"	-1.007276
"59254"	636.132871	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M-2H+NH4"	16.019271
"498450"	946.189671	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M-2H+NH4"	16.019271
"871147"	326.076071	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-2H+NH4"	16.019271
"37955"	641.088266	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M-2H+Na"	20.974666
"483715"	951.145066	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M-2H+Na"	20.974666
"858600"	331.031466	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-2H+Na"	20.974666
"1623028"	331.031466	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Na-2H"	20.974666
"102474"	327.037863	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M-H+Cl"	33.962126
"535838"	482.066263	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M-H+Cl"	33.962126
"935552"	172.009463	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-H+Cl"	33.962126
"270461"	655.083002	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+Cl"	34.969402
"669812"	965.139802	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+Cl"	34.969402
"1284402"	345.026202	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Cl"	34.969402
"29881"	657.062206	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M-2H+K"	36.948606
"470862"	967.119006	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M-2H+K"	36.948606
"842139"	347.005406	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-2H+K"	36.948606
"1567814"	347.005406	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+K-2H"	36.948606
"956429"	355.054994	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-H+HCOOH"	44.998194
"368451"	665.111801	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+HCOOH-H"	44.998201
"350148"	679.127451	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+Hac-H"	59.013851
"1497887"	369.070651	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Hac-H"	59.013851
"965428"	377.036951	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-H+NaCOOH"	66.980151
"118710"	345.026202	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+2Cl"	69.938804
"556083"	500.054602	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+2Cl"	69.938804
"1028164"	189.997802	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2Cl"	69.938804
"1249929"	388.975685	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Br"	78.918885
"1309096"	391.031672	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Cl+HCOOH"	80.974872
"1328778"	413.013629	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Cl+NaCOOH"	102.956829
"915462"	423.042386	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M-H+CF3COOH"	112.985586
"1293266"	459.019064	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Cl+CF3COOH"	148.962264
"1374706"	275.044124	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H-2H2O"	-35.012676
"1387828"	293.0541	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H-H2O"	-17.0027
"286420"	621.120876	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+H"	1.007276
"678844"	931.177676	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+H"	1.007276
"1355193"	311.064076	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H"	1.007276
"138295"	311.064076	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+2H"	2.014552
"576033"	466.092476	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+2H"	2.014552
"1048112"	156.035676	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2H"	2.014552
"216378"	207.711809333333	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+3H"	3.021828
"656664"	311.064076	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+3H"	3.021828
"1176249"	104.359542666667	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+3H"	3.021828
"436239"	638.147423	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+NH4"	18.033823
"793953"	948.204223	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+NH4"	18.033823
"1685914"	328.090623	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+NH4"	18.033823
"337473"	319.5773495	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+H+NH4"	19.041099
"727710"	474.6057495	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+H+NH4"	19.041099
"1480436"	164.5489495	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H+NH4"	19.041099
"395836"	643.102818	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+Na"	22.989218
"757926"	953.159618	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+Na"	22.989218
"1604079"	333.046018	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Na"	22.989218
"314966"	322.055047	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+H+Na"	23.996494
"708599"	477.083447	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+H+Na"	23.996494
"1462782"	167.026647	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H+Na"	23.996494
"1054085"	111.686856666667	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2H+Na"	25.00377
"1259409"	343.090286	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+CH3OH+H"	33.033486
"380170"	659.076758	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+K"	38.963158
"740800"	969.133558	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+K"	38.963158
"1546504"	349.019958	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+K"	38.963158
"299306"	330.042017	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+H+K"	39.970434
"691477"	485.070417	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+H+K"	39.970434
"1453209"	175.013617	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H+K"	39.970434
"242904"	662.147426	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+ACN+H"	42.033826
"1217801"	352.090626	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+ACN+H"	42.033826
"1196579"	176.548951	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+ACN+2H"	43.041102
"190180"	665.08476	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+2Na-H"	44.97116
"631921"	975.14156	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+2Na-H"	44.97116
"1135063"	355.02796	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2Na-H"	44.97116
"180912"	333.046018	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+2Na"	45.978436
"621570"	488.074418	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+2Na"	45.978436
"1128356"	178.017618	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2Na"	45.978436
"1408598"	119.014170666667	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H+2Na"	46.985712
"1440714"	357.069546	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H+HCOOH"	47.012746
"226034"	338.07904	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+3H2O+2H"	56.04448
"1513368"	371.12159	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+IsoProp+H"	61.06479
"412324"	341.032988	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+Na+K"	61.952376
"775871"	496.061388	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+Na+K"	61.952376
"1672205"	186.004588	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Na+K"	61.952376
"259818"	684.129368	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+ACN+Na"	64.015768
"1228883"	374.072568	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+ACN+Na"	64.015768
"1717045"	374.096093	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+NH4+HCOOH"	64.039293
"1180572"	126.341484666667	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+3Na"	68.967654
"1659951"	379.051488	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Na+HCOOH"	68.994688
"167910"	697.03264	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+2K-H"	76.91904
"611117"	1007.08944	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+2K-H"	76.91904
"1094167"	386.97584	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2K-H"	76.91904
"153173"	349.019958	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"2M+2K"	77.926316
"593831"	504.048358	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"3M+2K"	77.926316
"1079432"	193.991558	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2K"	77.926316
"1112642"	388.990392	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2K+H"	78.933592
"1343561"	389.078007	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+DMSO+H"	79.021207
"1017555"	393.117176	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2ACN+H"	83.060376
"1532403"	394.110808	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+IsoProp+Na+H"	84.054008
"1001039"	197.062226	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+2ACN+2H"	84.067652
"1592265"	395.025428	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+K+HCOOH"	84.968628
"1421206"	425.056938	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+H+CF3COOH"	115.000138
"1153683"	217.575501	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+3ACN+2H"	125.094202
"1711981"	442.083485	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+NH4+CF3COOH"	132.026685
"1649453"	447.03888	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+Na+CF3COOH"	136.98208
"1573807"	463.01282	"C17135"	"Filiforminol"	"C15H19BrO2"	"310.0568"	"M+K+CF3COOH"	152.95602
"810368"	294.0619	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M"	0
"980621"	275.04351	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-H2O-H"	-19.01839
"76527"	195.033990666667	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M-3H"	-3.021828
"516818"	293.054624	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M-3H"	-3.021828
"892800"	97.0133573333333	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-3H"	-3.021828
"10276"	293.054624	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M-2H"	-2.014552
"453125"	440.085574	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M-2H"	-2.014552
"830558"	146.023674	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-2H"	-2.014552
"92252"	587.116524	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M-H"	-1.007276
"532298"	881.178424	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M-H"	-1.007276
"908527"	293.054624	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-H"	-1.007276
"60462"	604.143071	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M-2H+NH4"	16.019271
"500266"	898.204971	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M-2H+NH4"	16.019271
"877455"	310.081171	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-2H+NH4"	16.019271
"43535"	609.098466	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M-2H+Na"	20.974666
"480909"	903.160366	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M-2H+Na"	20.974666
"857619"	315.036566	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-2H+Na"	20.974666
"1626057"	315.036566	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Na-2H"	20.974666
"106595"	311.042963	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M-H+Cl"	33.962126
"537772"	458.073913	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M-H+Cl"	33.962126
"932381"	164.012013	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-H+Cl"	33.962126
"279687"	623.093202	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+Cl"	34.969402
"671014"	917.155102	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+Cl"	34.969402
"1284513"	329.031302	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Cl"	34.969402
"28533"	625.072406	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M-2H+K"	36.948606
"465541"	919.134306	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M-2H+K"	36.948606
"837875"	331.010506	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-2H+K"	36.948606
"1561363"	331.010506	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+K-2H"	36.948606
"945966"	339.060094	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-H+HCOOH"	44.998194
"369654"	633.122001	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+HCOOH-H"	44.998201
"353539"	647.137651	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+Hac-H"	59.013851
"1499090"	353.075751	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Hac-H"	59.013851
"968819"	361.042051	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-H+NaCOOH"	66.980151
"121007"	329.031302	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+2Cl"	69.938804
"558380"	476.062252	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+2Cl"	69.938804
"1028274"	182.000352	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2Cl"	69.938804
"1253321"	372.980785	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Br"	78.918885
"1305927"	375.036772	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Cl+HCOOH"	80.974872
"1324514"	397.018729	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Cl+NaCOOH"	102.956829
"915573"	407.047486	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M-H+CF3COOH"	112.985586
"1295564"	443.024164	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Cl+CF3COOH"	148.962264
"1372631"	259.049224	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H-2H2O"	-35.012676
"1391220"	277.0592	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H-H2O"	-17.0027
"289814"	589.131076	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+H"	1.007276
"680048"	883.192976	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+H"	1.007276
"1354209"	295.069176	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H"	1.007276
"139132"	295.069176	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+2H"	2.014552
"578331"	442.100126	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+2H"	2.014552
"1049679"	148.038226	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2H"	2.014552
"217580"	197.048542666667	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+3H"	3.021828
"656044"	295.069176	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+3H"	3.021828
"1170891"	99.0279093333333	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+3H"	3.021828
"436349"	606.157623	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+NH4"	18.033823
"792972"	900.219523	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+NH4"	18.033823
"1685296"	312.095723	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+NH4"	18.033823
"334305"	303.5824495	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+H+NH4"	19.041099
"727820"	450.6133995	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+H+NH4"	19.041099
"1479818"	156.5514995	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H+NH4"	19.041099
"399229"	611.113018	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+Na"	22.989218
"761319"	905.174918	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+Na"	22.989218
"1605406"	317.051118	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Na"	22.989218
"315075"	306.060147	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+H+Na"	23.996494
"708834"	453.091097	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+H+Na"	23.996494
"1462041"	159.029197	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H+Na"	23.996494
"1054196"	106.355223333333	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2H+Na"	25.00377
"1259153"	327.095386	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+CH3OH+H"	33.033486
"380643"	627.086958	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+K"	38.963158
"742733"	921.148858	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+K"	38.963158
"1543334"	333.025058	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+K"	38.963158
"302332"	314.047117	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+H+K"	39.970434
"691587"	461.078067	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+H+K"	39.970434
"1452225"	167.016167	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H+K"	39.970434
"241921"	630.157626	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+ACN+H"	42.033826
"1219004"	336.095726	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+ACN+H"	42.033826
"1197418"	168.551501	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+ACN+2H"	43.041102
"191744"	633.09496	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+2Na-H"	44.97116
"632397"	927.15686	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+2Na-H"	44.97116
"1134808"	339.03306	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2Na-H"	44.97116
"175185"	317.051118	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+2Na"	45.978436
"620584"	464.082068	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+2Na"	45.978436
"1120809"	170.020168	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2Na"	45.978436
"1405427"	113.682537333333	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H+2Na"	46.985712
"1432072"	341.074646	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H+HCOOH"	47.012746
"223226"	322.08414	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+3H2O+2H"	56.04448
"1512384"	355.12669	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+IsoProp+H"	61.06479
"412434"	325.038088	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+Na+K"	61.952376
"775253"	472.069038	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+Na+K"	61.952376
"1672315"	178.007138	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Na+K"	61.952376
"257742"	652.139568	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+ACN+Na"	64.015768
"1227535"	358.077668	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+ACN+Na"	64.015768
"1715331"	358.101193	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+NH4+HCOOH"	64.039293
"1178896"	121.009851333333	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+3Na"	68.967654
"1663834"	363.056588	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Na+HCOOH"	68.994688
"166926"	665.04284	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+2K-H"	76.91904
"607581"	959.10474	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+2K-H"	76.91904
"1094276"	370.98094	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2K-H"	76.91904
"153282"	333.025058	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"2M+2K"	77.926316
"595030"	480.056008	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"3M+2K"	77.926316
"1082701"	185.994108	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2K"	77.926316
"1113846"	372.995492	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2K+H"	78.933592
"1344764"	373.083107	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+DMSO+H"	79.021207
"1016572"	377.122276	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2ACN+H"	83.060376
"1533608"	378.115908	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+IsoProp+Na+H"	84.054008
"1001150"	189.064776	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+2ACN+2H"	84.067652
"1598936"	379.030528	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+K+HCOOH"	84.968628
"1421315"	409.062038	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+H+CF3COOH"	115.000138
"1160353"	209.578051	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+3ACN+2H"	125.094202
"1710998"	426.088585	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+NH4+CF3COOH"	132.026685
"1647376"	431.04398	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+Na+CF3COOH"	136.98208
"1573917"	447.01792	"C17136"	"Laurinterol"	"C15H19BrO"	"294.0619"	"M+K+CF3COOH"	152.95602
"802823"	528.0546	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M"	0
"980731"	509.03621	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H2O-H"	-19.01839
"77853"	351.029124	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-3H"	-3.021828
"518020"	527.047324	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-3H"	-3.021828
"894970"	175.010924	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-3H"	-3.021828
"13665"	527.047324	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H"	-2.014552
"449949"	791.074624	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H"	-2.014552
"829937"	263.020024	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H"	-2.014552
"89930"	1055.101924	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-H"	-1.007276
"532408"	1583.156524	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-H"	-1.007276
"910332"	527.047324	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H"	-1.007276
"61544"	1072.128471	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+NH4"	16.019271
"501469"	1600.183071	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+NH4"	16.019271
"873555"	544.073871	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H+NH4"	16.019271
"43644"	1077.083866	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+Na"	20.974666
"483571"	1605.138466	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+Na"	20.974666
"862103"	549.029266	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H+Na"	20.974666
"1631999"	549.029266	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na-2H"	20.974666
"102695"	545.035663	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-H+Cl"	33.962126
"542256"	809.062963	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-H+Cl"	33.962126
"937958"	281.008363	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+Cl"	33.962126
"280162"	1091.078602	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Cl"	34.969402
"674040"	1619.133202	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+Cl"	34.969402
"1284259"	563.024002	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl"	34.969402
"30465"	1093.057806	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M-2H+K"	36.948606
"465651"	1621.112406	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M-2H+K"	36.948606
"840172"	565.003206	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-2H+K"	36.948606
"1566940"	565.003206	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K-2H"	36.948606
"952636"	573.052794	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+HCOOH"	44.998194
"371950"	1101.107401	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+HCOOH-H"	44.998201
"354742"	1115.123051	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Hac-H"	59.013851
"1500293"	587.068451	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Hac-H"	59.013851
"970022"	595.034751	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+NaCOOH"	66.980151
"123304"	563.024002	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2Cl"	69.938804
"560677"	827.051302	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2Cl"	69.938804
"1029477"	298.996702	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2Cl"	69.938804
"1255618"	606.973485	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Br"	78.918885
"1312597"	609.029472	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+HCOOH"	80.974872
"1332279"	631.011429	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+NaCOOH"	102.956829
"921150"	641.040186	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M-H+CF3COOH"	112.985586
"1301141"	677.016864	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Cl+CF3COOH"	148.962264
"1381368"	493.041924	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H-2H2O"	-35.012676
"1397770"	511.0519	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H-H2O"	-17.0027
"293933"	1057.116476	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H"	1.007276
"686718"	1585.171076	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H"	1.007276
"1356505"	529.061876	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H"	1.007276
"139604"	529.061876	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2H"	2.014552
"578808"	793.089176	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2H"	2.014552
"1048696"	265.034576	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2H"	2.014552
"217693"	353.043676	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+3H"	3.021828
"657249"	529.061876	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+3H"	3.021828
"1174281"	177.025476	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+3H"	3.021828
"439013"	1074.143023	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+NH4"	18.033823
"798185"	1602.197623	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+NH4"	18.033823
"1691602"	546.088423	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+NH4"	18.033823
"334415"	537.5751495	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H+NH4"	19.041099
"725741"	801.6024495	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H+NH4"	19.041099
"1481749"	273.5478495	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+NH4"	19.041099
"401526"	1079.098418	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Na"	22.989218
"761429"	1607.153018	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+Na"	22.989218
"1606609"	551.043818	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na"	22.989218
"316279"	540.052847	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H+Na"	23.996494
"708702"	804.080147	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H+Na"	23.996494
"1462276"	276.025547	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+Na"	23.996494
"1053456"	184.35279	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2H+Na"	25.00377
"1259993"	561.088086	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+CH3OH+H"	33.033486
"382576"	1095.072358	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+K"	38.963158
"742844"	1623.126958	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+K"	38.963158
"1543808"	567.017758	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K"	38.963158
"304994"	548.039817	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+H+K"	39.970434
"693404"	812.067117	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+H+K"	39.970434
"1454522"	284.012517	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+K"	39.970434
"242031"	1098.143026	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+H"	42.033826
"1218020"	570.088426	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+H"	42.033826
"1197893"	285.547851	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+2H"	43.041102
"193679"	1101.08036	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na-H"	44.97116
"630322"	1629.13496	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na-H"	44.97116
"1135286"	573.02576	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2Na-H"	44.97116
"178215"	551.043818	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2Na"	45.978436
"620694"	815.071118	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2Na"	45.978436
"1120919"	287.016518	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2Na"	45.978436
"1406629"	191.680104	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+2Na"	46.985712
"1439838"	575.067346	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+HCOOH"	47.012746
"226253"	556.07684	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+3H2O+2H"	56.04448
"1514316"	589.11939	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+H"	61.06479
"415098"	559.030788	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+Na+K"	61.952376
"777186"	823.058088	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+Na+K"	61.952376
"1674612"	295.003488	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na+K"	61.952376
"261131"	1120.124968	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+ACN+Na"	64.015768
"1227645"	592.070368	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+ACN+Na"	64.015768
"1714347"	592.093893	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+HCOOH"	64.039293
"1179331"	199.007418	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+3Na"	68.967654
"1663456"	597.049288	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na+HCOOH"	68.994688
"169222"	1133.02824	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2K-H"	76.91904
"607691"	1661.08284	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2K-H"	76.91904
"1095479"	604.97364	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2K-H"	76.91904
"154485"	567.017758	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"2M+2K"	77.926316
"594047"	831.045058	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"3M+2K"	77.926316
"1081838"	302.990458	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2K"	77.926316
"1111768"	606.988192	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2K+H"	78.933592
"1342686"	607.075807	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+DMSO+H"	79.021207
"1015591"	611.114976	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+H"	83.060376
"1532623"	612.108608	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+IsoProp+Na+H"	84.054008
"1002353"	306.061126	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+2ACN+2H"	84.067652
"1600137"	613.023228	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K+HCOOH"	84.968628
"1421425"	643.054738	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+H+CF3COOH"	115.000138
"1160463"	326.574401	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+3ACN+2H"	125.094202
"1711108"	660.081285	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+NH4+CF3COOH"	132.026685
"1647486"	665.03668	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+Na+CF3COOH"	136.98208
"1573663"	681.01062	"C17139"	"dTDP-34-dioxo-26-dideoxy-L-glucose"	"C16H22N2O14P2"	"528.0546"	"M+K+CF3COOH"	152.95602
"804027"	594.1373	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M"	0
"983028"	575.11891	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-H2O-H"	-19.01839
"78274"	395.084257333333	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M-3H"	-3.021828
"518341"	593.130024	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M-3H"	-3.021828
"894595"	197.038490666667	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-3H"	-3.021828
"7216"	593.130024	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M-2H"	-2.014552
"451153"	890.198674	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M-2H"	-2.014552
"827861"	296.061374	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-2H"	-2.014552
"88946"	1187.267324	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M-H"	-1.007276
"533247"	1781.404624	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M-H"	-1.007276
"910686"	593.130024	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-H"	-1.007276
"61412"	1204.293871	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M-2H+NH4"	16.019271
"501581"	1798.431171	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M-2H+NH4"	16.019271
"875853"	610.156571	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-2H+NH4"	16.019271
"46187"	1209.249266	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M-2H+Na"	20.974666
"485504"	1803.386566	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M-2H+Na"	20.974666
"861119"	615.111966	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-2H+Na"	20.974666
"1631744"	615.111966	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Na-2H"	20.974666
"109367"	611.118363	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M-H+Cl"	33.962126
"547834"	908.187013	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M-H+Cl"	33.962126
"942160"	314.049713	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-H+Cl"	33.962126
"282819"	1223.244002	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+Cl"	34.969402
"674883"	1817.381302	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+Cl"	34.969402
"1286559"	629.106702	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Cl"	34.969402
"31388"	1225.223206	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M-2H+K"	36.948606
"467948"	1819.360506	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M-2H+K"	36.948606
"847817"	631.085906	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-2H+K"	36.948606
"1563769"	631.085906	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+K-2H"	36.948606
"954932"	639.135494	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-H+HCOOH"	44.998194
"370968"	1233.272801	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+HCOOH-H"	44.998201
"353759"	1247.288451	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+Hac-H"	59.013851
"1501497"	653.151151	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Hac-H"	59.013851
"970132"	661.117451	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-H+NaCOOH"	66.980151
"125482"	629.106702	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+2Cl"	69.938804
"560787"	926.175352	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+2Cl"	69.938804
"1035054"	332.038052	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2Cl"	69.938804
"1256092"	673.056185	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Br"	78.918885
"1317810"	675.112172	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Cl+HCOOH"	80.974872
"1333850"	697.094129	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Cl+NaCOOH"	102.956829
"921261"	707.122886	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M-H+CF3COOH"	112.985586
"1299064"	743.099564	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Cl+CF3COOH"	148.962264
"1381235"	559.124624	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H-2H2O"	-35.012676
"1397638"	577.1346	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H-H2O"	-17.0027
"296593"	1189.281876	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+H"	1.007276
"684640"	1783.419176	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+H"	1.007276
"1357708"	595.144576	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H"	1.007276
"137162"	595.144576	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+2H"	2.014552
"579647"	892.213226	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+2H"	2.014552
"1051360"	298.075926	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2H"	2.014552
"218529"	397.098809333333	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+3H"	3.021828
"659589"	595.144576	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+3H"	3.021828
"1177307"	199.053042666667	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+3H"	3.021828
"439533"	1206.308423	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+NH4"	18.033823
"799389"	1800.445723	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+NH4"	18.033823
"1691712"	612.171123	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+NH4"	18.033823
"337805"	603.6578495	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+H+NH4"	19.041099
"726945"	900.7264995	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+H+NH4"	19.041099
"1481131"	306.5891995	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H+NH4"	19.041099
"398357"	1211.263818	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+Na"	22.989218
"761539"	1805.401118	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+Na"	22.989218
"1608542"	617.126518	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Na"	22.989218
"316389"	606.135547	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+H+Na"	23.996494
"709903"	903.204197	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+H+Na"	23.996494
"1462140"	309.066897	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H+Na"	23.996494
"1054051"	206.380356666667	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2H+Na"	25.00377
"1258645"	627.170786	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+CH3OH+H"	33.033486
"382685"	1227.237758	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+K"	38.963158
"740160"	1821.375058	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+K"	38.963158
"1542094"	633.100458	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+K"	38.963158
"300363"	614.122517	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+H+K"	39.970434
"693878"	911.191167	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+H+K"	39.970434
"1453539"	317.053867	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H+K"	39.970434
"242141"	1230.308426	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+ACN+H"	42.033826
"1218130"	636.171126	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+ACN+H"	42.033826
"1198367"	318.589201	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+ACN+2H"	43.041102
"197069"	1233.24576	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+2Na-H"	44.97116
"630917"	1827.38306	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+2Na-H"	44.97116
"1133209"	639.10846	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2Na-H"	44.97116
"178689"	617.126518	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+2Na"	45.978436
"625178"	914.195168	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+2Na"	45.978436
"1121393"	320.057868	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2Na"	45.978436
"1406739"	213.707670666667	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H+2Na"	46.985712
"1435575"	641.150046	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H+HCOOH"	47.012746
"225633"	622.15954	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+3H2O+2H"	56.04448
"1512603"	655.20209	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+IsoProp+H"	61.06479
"414114"	625.113488	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+Na+K"	61.952376
"775473"	922.182138	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+Na+K"	61.952376
"1672535"	328.044838	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Na+K"	61.952376
"259054"	1252.290368	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+ACN+Na"	64.015768
"1227756"	658.153068	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+ACN+Na"	64.015768
"1714458"	658.176593	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+NH4+HCOOH"	64.039293
"1179198"	221.034984666667	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+3Na"	68.967654
"1664538"	663.131988	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Na+HCOOH"	68.994688
"168238"	1265.19364	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+2K-H"	76.91904
"611328"	1859.33094	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+2K-H"	76.91904
"1093403"	671.05634	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2K-H"	76.91904
"153503"	633.100458	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"2M+2K"	77.926316
"593064"	930.169108	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"3M+2K"	77.926316
"1079762"	336.031808	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2K"	77.926316
"1113945"	673.070892	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2K+H"	78.933592
"1343889"	673.158507	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+DMSO+H"	79.021207
"1015701"	677.197676	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2ACN+H"	83.060376
"1532733"	678.191308	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+IsoProp+Na+H"	84.054008
"1004652"	339.102476	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+2ACN+2H"	84.067652
"1600247"	679.105928	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+K+HCOOH"	84.968628
"1427003"	709.137438	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+H+CF3COOH"	115.000138
"1158385"	359.615751	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+3ACN+2H"	125.094202
"1709031"	726.163985	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+NH4+CF3COOH"	132.026685
"1645773"	731.11938	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+Na+CF3COOH"	136.98208
"1573773"	747.09332	"C17140"	"Tribuloside"	"C30H26O13"	"594.1373"	"M+K+CF3COOH"	152.95602
"804139"	130.1358	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M"	0
"985328"	111.11741	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-H2O-H"	-19.01839
"78369"	85.749924	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M-3H"	-3.021828
"514229"	129.128524	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M-3H"	-3.021828
"890935"	42.371324	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-3H"	-3.021828
"13883"	129.128524	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M-2H"	-2.014552
"454538"	194.196424	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M-2H"	-2.014552
"830885"	64.060624	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-2H"	-2.014552
"90148"	259.264324	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M-H"	-1.007276
"532985"	389.400124	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M-H"	-1.007276
"908602"	129.128524	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-H"	-1.007276
"60549"	276.290871	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M-2H+NH4"	16.019271
"493786"	406.426671	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M-2H+NH4"	16.019271
"879123"	146.155071	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-2H+NH4"	16.019271
"46743"	281.246266	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M-2H+Na"	20.974666
"484884"	411.382066	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M-2H+Na"	20.974666
"863414"	151.110466	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-2H+Na"	20.974666
"1628573"	151.110466	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Na-2H"	20.974666
"105102"	147.116863	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M-H+Cl"	33.962126
"543569"	212.184763	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M-H+Cl"	33.962126
"934898"	82.048963	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-H+Cl"	33.962126
"277832"	295.241002	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+Cl"	34.969402
"674388"	425.376802	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+Cl"	34.969402
"1288298"	165.105202	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Cl"	34.969402
"31409"	297.220206	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M-2H+K"	36.948606
"466963"	427.356006	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M-2H+K"	36.948606
"840392"	167.084406	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-2H+K"	36.948606
"1566070"	167.084406	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+K-2H"	36.948606
"957236"	175.133994	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-H+HCOOH"	44.998194
"371807"	305.269801	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+HCOOH-H"	44.998201
"357149"	319.285451	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+Hac-H"	59.013851
"1505981"	189.149651	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Hac-H"	59.013851
"973528"	197.115951	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-H+NaCOOH"	66.980151
"123524"	165.105202	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+2Cl"	69.938804
"564791"	230.173102	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+2Cl"	69.938804
"1036258"	100.037302	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2Cl"	69.938804
"1256206"	209.054685	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Br"	78.918885
"1316098"	211.110672	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Cl+HCOOH"	80.974872
"1333960"	233.092629	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Cl+NaCOOH"	102.956829
"926477"	243.121386	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M-H+CF3COOH"	112.985586
"1302092"	279.098064	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Cl+CF3COOH"	148.962264
"1380250"	95.123124	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H-2H2O"	-35.012676
"1395923"	113.1331	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H-H2O"	-17.0027
"295978"	261.278876	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+H"	1.007276
"688400"	391.414676	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+H"	1.007276
"1365482"	131.143076	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H"	1.007276
"138371"	131.143076	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+2H"	2.014552
"581175"	196.210976	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+2H"	2.014552
"1048552"	66.075176	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2H"	2.014552
"210255"	87.764476	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+3H"	3.021828
"652001"	131.143076	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+3H"	3.021828
"1172312"	44.385876	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+3H"	3.021828
"435229"	278.305423	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+NH4"	18.033823
"794400"	408.441223	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+NH4"	18.033823
"1691822"	148.169623	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+NH4"	18.033823
"334634"	139.6563495	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+H+NH4"	19.041099
"725233"	204.7242495	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+H+NH4"	19.041099
"1481243"	74.5884495	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H+NH4"	19.041099
"407574"	283.260818	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+Na"	22.989218
"759456"	413.396618	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+Na"	22.989218
"1607555"	153.125018	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Na"	22.989218
"323059"	142.134047	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+H+Na"	23.996494
"708918"	207.201947	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+H+Na"	23.996494
"1461366"	77.066147	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H+Na"	23.996494
"1052903"	51.71319	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2H+Na"	25.00377
"1257420"	163.169286	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+CH3OH+H"	33.033486
"380617"	299.234758	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+K"	38.963158
"740883"	429.370558	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+K"	38.963158
"1546949"	169.098958	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+K"	38.963158
"307409"	150.121017	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+H+K"	39.970434
"696914"	215.188917	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+H+K"	39.970434
"1455837"	85.053117	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H+K"	39.970434
"244438"	302.305426	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+ACN+H"	42.033826
"1217146"	172.169626	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+ACN+H"	42.033826
"1198476"	86.588451	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+ACN+2H"	43.041102
"191711"	305.24276	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+2Na-H"	44.97116
"638931"	435.37856	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+2Na-H"	44.97116
"1136238"	175.10696	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2Na-H"	44.97116
"178069"	153.125018	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+2Na"	45.978436
"619088"	218.192918	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+2Na"	45.978436
"1121139"	88.057118	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2Na"	45.978436
"1407942"	59.040504	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H+2Na"	46.985712
"1431677"	177.148546	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H+HCOOH"	47.012746
"224287"	158.15804	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+3H2O+2H"	56.04448
"1511986"	191.20059	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+IsoProp+H"	61.06479
"421518"	161.111988	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+Na+K"	61.952376
"776315"	226.179888	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+Na+K"	61.952376
"1675927"	96.044088	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Na+K"	61.952376
"255885"	324.287368	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+ACN+Na"	64.015768
"1234067"	194.151568	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+ACN+Na"	64.015768
"1728190"	194.175093	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+NH4+HCOOH"	64.039293
"1194139"	66.367818	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+3Na"	68.967654
"1664765"	199.130488	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Na+HCOOH"	68.994688
"167254"	337.19064	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+2K-H"	76.91904
"612406"	467.32644	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+2K-H"	76.91904
"1098981"	207.05484	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2K-H"	76.91904
"156529"	169.098958	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"2M+2K"	77.926316
"594265"	234.166858	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"3M+2K"	77.926316
"1079871"	104.031058	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2K"	77.926316
"1110894"	209.069392	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2K+H"	78.933592
"1348373"	209.157007	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+DMSO+H"	79.021207
"1020671"	213.196176	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2ACN+H"	83.060376
"1531750"	214.189808	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+IsoProp+Na+H"	84.054008
"1003667"	107.101726	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+2ACN+2H"	84.067652
"1597078"	215.104428	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+K+HCOOH"	84.968628
"1426019"	245.135938	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+H+CF3COOH"	115.000138
"1156308"	127.615001	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+3ACN+2H"	125.094202
"1701483"	262.162485	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+NH4+CF3COOH"	132.026685
"1637135"	267.11788	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+Na+CF3COOH"	136.98208
"1577164"	283.09182	"C17144"	"3-Octanol"	"C8H18O"	"130.1358"	"M+K+CF3COOH"	152.95602
"804249"	128.1201	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M"	0
"985438"	109.10171	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-H2O-H"	-19.01839
"76842"	84.406124	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M-3H"	-3.021828
"511059"	127.112824	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M-3H"	-3.021828
"885578"	41.699424	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-3H"	-3.021828
"8526"	127.112824	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M-2H"	-2.014552
"452460"	191.172874	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M-2H"	-2.014552
"828078"	63.052774	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-2H"	-2.014552
"90258"	255.232924	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M-H"	-1.007276
"532002"	383.353024	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M-H"	-1.007276
"902152"	127.112824	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-H"	-1.007276
"52154"	272.259471	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M-2H+NH4"	16.019271
"493896"	400.379571	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M-2H+NH4"	16.019271
"877166"	144.139371	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-2H+NH4"	16.019271
"45067"	277.214866	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M-2H+Na"	20.974666
"481348"	405.334966	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M-2H+Na"	20.974666
"856963"	149.094766	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-2H+Na"	20.974666
"1623215"	149.094766	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Na-2H"	20.974666
"101931"	145.101163	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M-H+Cl"	33.962126
"536025"	209.161213	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M-H+Cl"	33.962126
"929540"	81.041113	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-H+Cl"	33.962126
"277942"	291.209602	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+Cl"	34.969402
"667081"	419.329702	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+Cl"	34.969402
"1287874"	163.089502	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Cl"	34.969402
"25326"	293.188806	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M-2H+K"	36.948606
"461606"	421.308906	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M-2H+K"	36.948606
"838316"	165.068706	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-2H+K"	36.948606
"1560713"	165.068706	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+K-2H"	36.948606
"954793"	173.118294	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-H+HCOOH"	44.998194
"371188"	301.238401	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+HCOOH-H"	44.998201
"357259"	315.254051	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+Hac-H"	59.013851
"1503904"	187.133951	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Hac-H"	59.013851
"974031"	195.100251	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-H+NaCOOH"	66.980151
"124727"	163.089502	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+2Cl"	69.938804
"565264"	227.149552	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+2Cl"	69.938804
"1035640"	99.029452	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2Cl"	69.938804
"1256680"	207.038985	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Br"	78.918885
"1316937"	209.094972	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Cl+HCOOH"	80.974872
"1333342"	231.076929	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Cl+NaCOOH"	102.956829
"926795"	241.105686	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M-H+CF3COOH"	112.985586
"1302202"	277.082364	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Cl+CF3COOH"	148.962264
"1380360"	93.107424	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H-2H2O"	-35.012676
"1396033"	111.1174	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H-H2O"	-17.0027
"294265"	257.247476	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+H"	1.007276
"688873"	385.367576	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+H"	1.007276
"1365592"	129.127376	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H"	1.007276
"137385"	129.127376	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+2H"	2.014552
"580959"	193.187426	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+2H"	2.014552
"1046839"	65.067326	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2H"	2.014552
"211459"	86.420676	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+3H"	3.021828
"655391"	129.127376	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+3H"	3.021828
"1170236"	43.713976	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+3H"	3.021828
"435338"	274.274023	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+NH4"	18.033823
"792323"	402.394123	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+NH4"	18.033823
"1683185"	146.153923	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+NH4"	18.033823
"332557"	137.6406495	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+H+NH4"	19.041099
"726073"	201.7006995	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+H+NH4"	19.041099
"1480989"	73.5805995	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H+NH4"	19.041099
"401850"	279.229418	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+Na"	22.989218
"754946"	407.349518	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+Na"	22.989218
"1602836"	151.109318	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Na"	22.989218
"314700"	140.118347	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+H+Na"	23.996494
"709390"	204.178397	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+H+Na"	23.996494
"1462603"	76.058297	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H+Na"	23.996494
"1053297"	51.04129	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2H+Na"	25.00377
"1257129"	161.153586	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+CH3OH+H"	33.033486
"377521"	295.203358	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+K"	38.963158
"738717"	423.323458	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+K"	38.963158
"1545966"	167.083258	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+K"	38.963158
"304239"	148.105317	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+H+K"	39.970434
"695567"	212.165367	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+H+K"	39.970434
"1451573"	84.045267	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H+K"	39.970434
"241267"	298.274026	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+ACN+H"	42.033826
"1218349"	170.153926	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+ACN+H"	42.033826
"1197856"	85.580601	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+ACN+2H"	43.041102
"190362"	301.21136	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+2Na-H"	44.97116
"635760"	429.33146	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+2Na-H"	44.97116
"1132336"	173.09126	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2Na-H"	44.97116
"173803"	151.109318	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+2Na"	45.978436
"613240"	215.169368	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+2Na"	45.978436
"1116866"	87.049268	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2Na"	45.978436
"1400393"	58.368604	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H+2Na"	46.985712
"1431422"	175.132846	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H+HCOOH"	47.012746
"221111"	156.14234	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+3H2O+2H"	56.04448
"1511003"	189.18489	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+IsoProp+H"	61.06479
"417618"	159.096288	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+Na+K"	61.952376
"773145"	223.156338	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+Na+K"	61.952376
"1666922"	95.036238	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Na+K"	61.952376
"253077"	320.255968	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+ACN+Na"	64.015768
"1228710"	192.135868	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+ACN+Na"	64.015768
"1728057"	192.159393	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+NH4+HCOOH"	64.039293
"1193850"	65.695918	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+3Na"	68.967654
"1663782"	197.114788	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Na+HCOOH"	68.994688
"166270"	333.15924	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+2K-H"	76.91904
"611297"	461.27934	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+2K-H"	76.91904
"1099091"	205.03914	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2K-H"	76.91904
"155667"	167.083258	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"2M+2K"	77.926316
"595469"	231.143308	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"3M+2K"	77.926316
"1081075"	103.023208	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2K"	77.926316
"1109911"	207.053692	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2K+H"	78.933592
"1347390"	207.141307	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+DMSO+H"	79.021207
"1020293"	211.180476	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2ACN+H"	83.060376
"1531859"	212.174108	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+IsoProp+Na+H"	84.054008
"1001590"	106.093876	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+2ACN+2H"	84.067652
"1593908"	213.088728	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+K+HCOOH"	84.968628
"1421755"	243.120238	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+H+CF3COOH"	115.000138
"1153138"	126.607151	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+3ACN+2H"	125.094202
"1698313"	260.146785	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+NH4+CF3COOH"	132.026685
"1634450"	265.10218	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+Na+CF3COOH"	136.98208
"1575087"	281.07612	"C17145"	"3-Octanone"	"C8H16O"	"128.1201"	"M+K+CF3COOH"	152.95602
"804359"	131.1059	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M"	0
"985548"	112.08751	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-H2O-H"	-19.01839
"75979"	86.3966573333333	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M-3H"	-3.021828
"510076"	130.098624	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M-3H"	-3.021828
"883501"	42.6946906666667	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-3H"	-3.021828
"3169"	130.098624	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M-2H"	-2.014552
"450383"	195.651574	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M-2H"	-2.014552
"821628"	64.545674	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-2H"	-2.014552
"90368"	261.204524	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M-H"	-1.007276
"529925"	392.310424	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M-H"	-1.007276
"905541"	130.098624	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-H"	-1.007276
"57730"	278.231071	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M-2H+NH4"	16.019271
"494006"	409.336971	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M-2H+NH4"	16.019271
"877034"	147.125171	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-2H+NH4"	16.019271
"46519"	283.186466	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M-2H+Na"	20.974666
"475992"	414.292366	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M-2H+Na"	20.974666
"855980"	152.080566	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-2H+Na"	20.974666
"1623325"	152.080566	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Na-2H"	20.974666
"100948"	148.086963	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M-H+Cl"	33.962126
"539415"	213.639913	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M-H+Cl"	33.962126
"930014"	82.534013	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-H+Cl"	33.962126
"279146"	297.181202	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+Cl"	34.969402
"666099"	428.287102	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+Cl"	34.969402
"1287621"	166.075302	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Cl"	34.969402
"28352"	299.160406	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M-2H+K"	36.948606
"464996"	430.266306	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M-2H+K"	36.948606
"838426"	168.054506	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-2H+K"	36.948606
"1563010"	168.054506	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+K-2H"	36.948606
"951987"	176.104094	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-H+HCOOH"	44.998194
"370203"	307.210001	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+HCOOH-H"	44.998201
"355182"	321.225651	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+Hac-H"	59.013851
"1501827"	190.119751	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Hac-H"	59.013851
"973624"	198.086051	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-H+NaCOOH"	66.980151
"124111"	166.075302	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+2Cl"	69.938804
"565129"	231.628252	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+2Cl"	69.938804
"1036118"	100.522352	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2Cl"	69.938804
"1256305"	210.024785	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Br"	78.918885
"1316683"	212.080772	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Cl+HCOOH"	80.974872
"1333086"	234.062729	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Cl+NaCOOH"	102.956829
"925969"	244.091486	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M-H+CF3COOH"	112.985586
"1300853"	280.068164	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Cl+CF3COOH"	148.962264
"1377190"	96.093224	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H-2H2O"	-35.012676
"1392863"	114.1032	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H-H2O"	-17.0027
"293282"	263.219076	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+H"	1.007276
"686797"	394.324976	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+H"	1.007276
"1365702"	132.113176	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H"	1.007276
"138588"	132.113176	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+2H"	2.014552
"579245"	197.666126	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+2H"	2.014552
"1046949"	66.560226	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2H"	2.014552
"208289"	88.4112093333333	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+3H"	3.021828
"653314"	132.113176	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+3H"	3.021828
"1167065"	44.7092426666667	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+3H"	3.021828
"434719"	280.245623	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+NH4"	18.033823
"792433"	411.351523	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+NH4"	18.033823
"1683295"	149.139723	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+NH4"	18.033823
"330844"	140.6264495	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+H+NH4"	19.041099
"725818"	206.1793995	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+H+NH4"	19.041099
"1480370"	75.0734995	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H+NH4"	19.041099
"395034"	285.201018	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+Na"	22.989218
"754683"	416.306918	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+Na"	22.989218
"1603024"	154.095118	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Na"	22.989218
"314405"	143.104147	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+H+Na"	23.996494
"708166"	208.657097	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+H+Na"	23.996494
"1461657"	77.551197	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H+Na"	23.996494
"1054255"	52.0365566666667	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2H+Na"	25.00377
"1258362"	164.139386	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+CH3OH+H"	33.033486
"377424"	301.174958	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+K"	38.963158
"738822"	432.280858	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+K"	38.963158
"1544982"	170.069058	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+K"	38.963158
"303617"	151.091117	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+H+K"	39.970434
"697861"	216.644067	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+H+K"	39.970434
"1451684"	85.538167	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H+K"	39.970434
"239553"	304.245626	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+ACN+H"	42.033826
"1215178"	173.139726	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+ACN+H"	42.033826
"1196873"	87.073501	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+ACN+2H"	43.041102
"189255"	307.18296	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+2Na-H"	44.97116
"634048"	438.28886	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+2Na-H"	44.97116
"1133176"	176.07706	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2Na-H"	44.97116
"175008"	154.095118	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+2Na"	45.978436
"614932"	219.648068	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+2Na"	45.978436
"1116977"	88.542168	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2Na"	45.978436
"1402694"	59.3638706666667	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H+2Na"	46.985712
"1432618"	178.118646	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H+HCOOH"	47.012746
"225598"	159.12814	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+3H2O+2H"	56.04448
"1508958"	192.17069	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+IsoProp+H"	61.06479
"409008"	162.082088	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+Na+K"	61.952376
"770737"	227.635038	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+Na+K"	61.952376
"1669219"	96.529138	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Na+K"	61.952376
"251757"	326.227568	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+ACN+Na"	64.015768
"1225810"	195.121668	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+ACN+Na"	64.015768
"1726827"	195.145193	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+NH4+HCOOH"	64.039293
"1193636"	66.6911846666667	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+3Na"	68.967654
"1663771"	200.100588	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Na+HCOOH"	68.994688
"165286"	339.13084	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+2K-H"	76.91904
"610314"	470.23674	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+2K-H"	76.91904
"1097015"	208.02494	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2K-H"	76.91904
"154804"	170.069058	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"2M+2K"	77.926316
"593393"	235.622008	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"3M+2K"	77.926316
"1080090"	104.516108	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2K"	77.926316
"1111114"	210.039492	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2K+H"	78.933592
"1349933"	210.127107	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+DMSO+H"	79.021207
"1020408"	214.166276	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2ACN+H"	83.060376
"1537434"	215.159908	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+IsoProp+Na+H"	84.054008
"997326"	107.586776	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+2ACN+2H"	84.067652
"1594018"	216.074528	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+K+HCOOH"	84.968628
"1421865"	246.106038	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+H+CF3COOH"	115.000138
"1152155"	128.100051	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+3ACN+2H"	125.094202
"1697693"	263.132585	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+NH4+CF3COOH"	132.026685
"1635168"	268.08798	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+Na+CF3COOH"	136.98208
"1575197"	284.06192	"C17146"	"4-Guanidino-1-butanol"	"C5H13N3O"	"131.1059"	"M+K+CF3COOH"	152.95602
"804469"	354.0951	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M"	0
"985658"	335.07671	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-H2O-H"	-19.01839
"75725"	235.056124	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M-3H"	-3.021828
"509093"	353.087824	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M-3H"	-3.021828
"885798"	117.024424	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-3H"	-3.021828
"5466"	353.087824	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M-2H"	-2.014552
"450494"	530.135374	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M-2H"	-2.014552
"825019"	176.040274	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-2H"	-2.014552
"90479"	707.182924	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M-H"	-1.007276
"526754"	1061.278024	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M-H"	-1.007276
"901277"	353.087824	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-H"	-1.007276
"54560"	724.209471	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M-2H+NH4"	16.019271
"498494"	1078.304571	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M-2H+NH4"	16.019271
"870094"	370.114371	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-2H+NH4"	16.019271
"37634"	729.164866	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M-2H+Na"	20.974666
"480475"	1083.259966	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M-2H+Na"	20.974666
"856090"	375.069766	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-2H+Na"	20.974666
"1622339"	375.069766	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Na-2H"	20.974666
"97776"	371.076163	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M-H+Cl"	33.962126
"537338"	548.123713	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M-H+Cl"	33.962126
"929760"	194.028613	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-H+Cl"	33.962126
"275976"	743.159602	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+Cl"	34.969402
"667301"	1097.254702	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+Cl"	34.969402
"1285177"	389.064502	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Cl"	34.969402
"28826"	745.138806	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M-2H+K"	36.948606
"462919"	1099.233906	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M-2H+K"	36.948606
"840723"	391.043706	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-2H+K"	36.948606
"1563120"	391.043706	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+K-2H"	36.948606
"951003"	399.093294	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-H+HCOOH"	44.998194
"373228"	753.188401	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+HCOOH-H"	44.998201
"357844"	767.204051	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+Hac-H"	59.013851
"1504853"	413.108951	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Hac-H"	59.013851
"971668"	421.075251	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-H+NaCOOH"	66.980151
"122400"	389.064502	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+2Cl"	69.938804
"562323"	566.112052	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+2Cl"	69.938804
"1035135"	212.016952	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2Cl"	69.938804
"1254348"	433.013985	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Br"	78.918885
"1316793"	435.069972	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Cl+HCOOH"	80.974872
"1332832"	457.051929	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Cl+NaCOOH"	102.956829
"923888"	467.080686	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M-H+CF3COOH"	112.985586
"1298776"	503.057364	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Cl+CF3COOH"	148.962264
"1378757"	319.082424	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H-2H2O"	-35.012676
"1387505"	337.0924	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H-H2O"	-17.0027
"292661"	709.197476	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+H"	1.007276
"680708"	1063.292576	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+H"	1.007276
"1362527"	355.102376	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H"	1.007276
"139066"	355.102376	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+2H"	2.014552
"578626"	532.149926	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+2H"	2.014552
"1047060"	178.054826	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2H"	2.014552
"210585"	237.070676	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+3H"	3.021828
"650145"	355.102376	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+3H"	3.021828
"1166446"	119.038976	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+3H"	3.021828
"434829"	726.224023	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+NH4"	18.033823
"792544"	1080.319123	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+NH4"	18.033823
"1683769"	372.128923	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+NH4"	18.033823
"334235"	363.6156495	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+H+NH4"	19.041099
"725201"	540.6631995	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+H+NH4"	19.041099
"1483397"	186.5680995	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H+NH4"	19.041099
"395872"	731.179418	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+Na"	22.989218
"754597"	1085.274518	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+Na"	22.989218
"1603750"	377.084318	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Na"	22.989218
"315124"	366.093347	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+H+Na"	23.996494
"709611"	543.140897	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+H+Na"	23.996494
"1462340"	189.045797	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H+Na"	23.996494
"1053393"	126.36629	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2H+Na"	25.00377
"1257743"	387.128586	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+CH3OH+H"	33.033486
"378026"	747.153358	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+K"	38.963158
"740481"	1101.248458	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+K"	38.963158
"1543630"	393.058258	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+K"	38.963158
"303359"	374.080317	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+H+K"	39.970434
"696877"	551.127867	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+H+K"	39.970434
"1449602"	197.032767	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H+K"	39.970434
"240391"	750.224026	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+ACN+H"	42.033826
"1212003"	396.128926	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+ACN+H"	42.033826
"1196252"	198.568101	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+ACN+2H"	43.041102
"190581"	753.16136	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+2Na-H"	44.97116
"633063"	1107.25646	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+2Na-H"	44.97116
"1136933"	399.06626	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2Na-H"	44.97116
"174751"	377.084318	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+2Na"	45.978436
"614310"	554.131868	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+2Na"	45.978436
"1118548"	200.036768	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2Na"	45.978436
"1402440"	133.693604	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H+2Na"	46.985712
"1432364"	401.107846	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H+HCOOH"	47.012746
"224248"	382.11734	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+3H2O+2H"	56.04448
"1510121"	415.15989	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+IsoProp+H"	61.06479
"409442"	385.071288	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+Na+K"	61.952376
"771900"	562.118838	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+Na+K"	61.952376
"1667140"	208.023738	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Na+K"	61.952376
"252681"	772.205968	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+ACN+Na"	64.015768
"1226363"	418.110868	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+ACN+Na"	64.015768
"1727304"	418.134393	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+NH4+HCOOH"	64.039293
"1193630"	141.020918	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+3Na"	68.967654
"1663881"	423.089788	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Na+HCOOH"	68.994688
"168677"	785.10924	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+2K-H"	76.91904
"608238"	1139.20434	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+2K-H"	76.91904
"1096032"	431.01414	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2K-H"	76.91904
"156132"	393.058258	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"2M+2K"	77.926316
"594596"	570.105808	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"3M+2K"	77.926316
"1082389"	216.010708	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2K"	77.926316
"1107945"	433.028692	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2K+H"	78.933592
"1348704"	433.116307	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+DMSO+H"	79.021207
"1018327"	437.155476	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2ACN+H"	83.060376
"1537544"	438.149108	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+IsoProp+Na+H"	84.054008
"996343"	219.081376	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+2ACN+2H"	84.067652
"1589754"	439.063728	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+K+HCOOH"	84.968628
"1421975"	469.095238	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+H+CF3COOH"	115.000138
"1151170"	239.594651	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+3ACN+2H"	125.094202
"1700722"	486.121785	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+NH4+CF3COOH"	132.026685
"1634670"	491.07718	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+Na+CF3COOH"	136.98208
"1575307"	507.05112	"C17147"	"Neochlorogenic acid;trans-Neochlorogenic acid;Neochlorogenate"	"C16H18O9"	"354.0951"	"M+K+CF3COOH"	152.95602
"807859"	456.3603	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M"	0
"985768"	437.34191	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-H2O-H"	-19.01839
"77293"	303.232924	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M-3H"	-3.021828
"510295"	455.353024	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M-3H"	-3.021828
"881899"	151.112824	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-3H"	-3.021828
"6670"	455.353024	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M-2H"	-2.014552
"450605"	683.533174	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M-2H"	-2.014552
"825129"	227.172874	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-2H"	-2.014552
"88403"	911.713324	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M-H"	-1.007276
"530145"	1368.073624	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M-H"	-1.007276
"903575"	455.353024	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-H"	-1.007276
"51390"	928.739871	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M-2H+NH4"	16.019271
"498604"	1385.100171	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M-2H+NH4"	16.019271
"876401"	472.379571	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-2H+NH4"	16.019271
"37746"	933.695266	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M-2H+Na"	20.974666
"484958"	1390.055566	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M-2H+Na"	20.974666
"854013"	477.334966	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-2H+Na"	20.974666
"1622448"	477.334966	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Na-2H"	20.974666
"98248"	473.341363	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M-H+Cl"	33.962126
"536109"	701.521513	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M-H+Cl"	33.962126
"928288"	245.161213	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-H+Cl"	33.962126
"277179"	947.690002	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+Cl"	34.969402
"663037"	1404.050302	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+Cl"	34.969402
"1284193"	491.329702	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Cl"	34.969402
"28936"	949.669206	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M-2H+K"	36.948606
"463029"	1406.029506	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M-2H+K"	36.948606
"840833"	493.308906	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-2H+K"	36.948606
"1563230"	493.308906	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+K-2H"	36.948606
"955487"	501.358494	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-H+HCOOH"	44.998194
"373702"	957.718801	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+HCOOH-H"	44.998201
"357224"	971.734451	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+Hac-H"	59.013851
"1504599"	515.374151	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Hac-H"	59.013851
"971410"	523.340451	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-H+NaCOOH"	66.980151
"122142"	491.329702	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+2Cl"	69.938804
"562434"	719.509852	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+2Cl"	69.938804
"1035243"	263.149552	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2Cl"	69.938804
"1249714"	535.279185	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Br"	78.918885
"1313257"	537.335172	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Cl+HCOOH"	80.974872
"1332579"	559.317129	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Cl+NaCOOH"	102.956829
"923999"	569.345886	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M-H+CF3COOH"	112.985586
"1291959"	605.322564	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Cl+CF3COOH"	148.962264
"1373399"	421.347624	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H-2H2O"	-35.012676
"1387615"	439.3576	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H-H2O"	-17.0027
"287302"	913.727876	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+H"	1.007276
"679725"	1370.088176	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+H"	1.007276
"1359356"	457.367576	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H"	1.007276
"138082"	457.367576	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+2H"	2.014552
"574725"	685.547726	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+2H"	2.014552
"1046442"	229.187426	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2H"	2.014552
"211788"	305.247476	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+3H"	3.021828
"648067"	457.367576	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+3H"	3.021828
"1166190"	153.127376	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+3H"	3.021828
"427282"	930.754423	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+NH4"	18.033823
"795934"	1387.114723	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+NH4"	18.033823
"1683152"	474.394123	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+NH4"	18.033823
"331058"	465.8808495	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+H+NH4"	19.041099
"723971"	694.0609995	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+H+NH4"	19.041099
"1483507"	237.7006995	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H+NH4"	19.041099
"393794"	935.709818	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+Na"	22.989218
"755276"	1392.070118	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+Na"	22.989218
"1603864"	479.349518	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Na"	22.989218
"315842"	468.358547	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+H+Na"	23.996494
"709113"	696.538697	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+H+Na"	23.996494
"1463179"	240.178397	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H+Na"	23.996494
"1053383"	160.45469	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2H+Na"	25.00377
"1257494"	489.393786	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+CH3OH+H"	33.033486
"379595"	951.683758	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+K"	38.963158
"742413"	1408.044058	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+K"	38.963158
"1545202"	495.323458	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+K"	38.963158
"303837"	476.345517	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+H+K"	39.970434
"693706"	704.525667	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+H+K"	39.970434
"1448619"	248.165367	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H+K"	39.970434
"240137"	954.754426	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+ACN+H"	42.033826
"1213938"	498.394126	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+ACN+H"	42.033826
"1197092"	249.700701	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+ACN+2H"	43.041102
"192515"	957.69176	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+2Na-H"	44.97116
"631096"	1414.05206	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+2Na-H"	44.97116
"1136313"	501.33146	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2Na-H"	44.97116
"174011"	479.349518	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+2Na"	45.978436
"613696"	707.529668	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+2Na"	45.978436
"1117687"	251.169368	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2Na"	45.978436
"1400483"	167.782004	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H+2Na"	46.985712
"1432474"	503.373046	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H+HCOOH"	47.012746
"224723"	484.38254	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+3H2O+2H"	56.04448
"1509868"	517.42509	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+IsoProp+H"	61.06479
"409198"	487.336488	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+Na+K"	61.952376
"771280"	715.516638	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+Na+K"	61.952376
"1666157"	259.156338	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Na+K"	61.952376
"253037"	976.736368	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+ACN+Na"	64.015768
"1226474"	520.376068	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+ACN+Na"	64.015768
"1724494"	520.399593	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+NH4+HCOOH"	64.039293
"1192763"	175.109318	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+3Na"	68.967654
"1660832"	525.354988	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Na+HCOOH"	68.994688
"167694"	989.63964	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+2K-H"	76.91904
"607254"	1445.99994	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+2K-H"	76.91904
"1097843"	533.27934	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2K-H"	76.91904
"154051"	495.323458	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"2M+2K"	77.926316
"592521"	723.503608	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"3M+2K"	77.926316
"1080313"	267.143308	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2K"	77.926316
"1108055"	535.293892	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2K+H"	78.933592
"1347720"	535.381507	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+DMSO+H"	79.021207
"1019530"	539.420676	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2ACN+H"	83.060376
"1536561"	540.414308	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+IsoProp+Na+H"	84.054008
"999734"	270.213976	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+2ACN+2H"	84.067652
"1592051"	541.328928	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+K+HCOOH"	84.968628
"1418805"	571.360438	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+H+CF3COOH"	115.000138
"1151280"	290.727251	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+3ACN+2H"	125.094202
"1699739"	588.386985	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+NH4+CF3COOH"	132.026685
"1634660"	593.34238	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+Na+CF3COOH"	136.98208
"1575417"	609.31632	"C17148"	"Oleanolic acid;3beta-Hydroxyolean-12-en-28-oic acid;Astrantiagenin C;Caryophyllin;Oleanolate"	"C30H48O3"	"456.3603"	"M+K+CF3COOH"	152.95602
"804689"	416.2563	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M"	0
"986971"	397.23791	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-H2O-H"	-19.01839
"77038"	276.496924	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M-3H"	-3.021828
"516964"	415.249024	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M-3H"	-3.021828
"881645"	137.744824	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-3H"	-3.021828
"6780"	415.249024	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M-2H"	-2.014552
"449621"	623.377174	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M-2H"	-2.014552
"821958"	207.120874	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-2H"	-2.014552
"87420"	831.505324	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M-H"	-1.007276
"530254"	1247.761624	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M-H"	-1.007276
"903685"	415.249024	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-H"	-1.007276
"51500"	848.531871	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M-2H+NH4"	16.019271
"498713"	1264.788171	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M-2H+NH4"	16.019271
"875418"	432.275571	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-2H+NH4"	16.019271
"34939"	853.487266	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M-2H+Na"	20.974666
"482882"	1269.743566	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M-2H+Na"	20.974666
"851935"	437.230966	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-2H+Na"	20.974666
"1619643"	437.230966	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Na-2H"	20.974666
"96171"	433.237363	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M-H+Cl"	33.962126
"535369"	641.365513	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M-H+Cl"	33.962126
"928642"	225.109213	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-H+Cl"	33.962126
"276196"	867.482002	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+Cl"	34.969402
"663147"	1283.738302	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+Cl"	34.969402
"1281024"	451.225702	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Cl"	34.969402
"25766"	869.461206	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M-2H+K"	36.948606
"465326"	1285.717506	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M-2H+K"	36.948606
"840943"	453.204906	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-2H+K"	36.948606
"1561152"	453.204906	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+K-2H"	36.948606
"955596"	461.254494	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-H+HCOOH"	44.998194
"374541"	877.510801	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+HCOOH-H"	44.998201
"358427"	891.526451	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+Hac-H"	59.013851
"1505437"	475.270151	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Hac-H"	59.013851
"972614"	483.236451	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-H+NaCOOH"	66.980151
"122981"	451.225702	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+2Cl"	69.938804
"564001"	659.353852	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+2Cl"	69.938804
"1036082"	243.097552	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2Cl"	69.938804
"1250917"	495.175185	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Br"	78.918885
"1314460"	497.231172	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Cl+HCOOH"	80.974872
"1333782"	519.213129	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Cl+NaCOOH"	102.956829
"925931"	529.241886	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M-H+CF3COOH"	112.985586
"1295349"	565.218564	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Cl+CF3COOH"	148.962264
"1373509"	381.243624	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H-2H2O"	-35.012676
"1388818"	399.2536	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H-H2O"	-17.0027
"287410"	833.519876	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+H"	1.007276
"679831"	1249.776176	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+H"	1.007276
"1358373"	417.263576	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H"	1.007276
"135272"	417.263576	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+2H"	2.014552
"574104"	625.391726	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+2H"	2.014552
"1047280"	209.135426	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2H"	2.014552
"211897"	278.511476	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+3H"	3.021828
"649270"	417.263576	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+3H"	3.021828
"1166300"	139.759376	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+3H"	3.021828
"427391"	850.546423	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+NH4"	18.033823
"792764"	1266.802723	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+NH4"	18.033823
"1682897"	434.290123	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+NH4"	18.033823
"331171"	425.7768495	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+H+NH4"	19.041099
"722835"	633.9049995	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+H+NH4"	19.041099
"1489084"	217.6486995	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H+NH4"	19.041099
"392970"	855.501818	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+Na"	22.989218
"755507"	1271.758118	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+Na"	22.989218
"1603526"	439.245518	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Na"	22.989218
"315952"	428.254547	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+H+Na"	23.996494
"708130"	636.382697	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+H+Na"	23.996494
"1461332"	220.126397	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H+Na"	23.996494
"1053617"	147.08669	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2H+Na"	25.00377
"1257113"	449.289786	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+CH3OH+H"	33.033486
"377187"	871.475758	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+K"	38.963158
"740700"	1287.732058	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+K"	38.963158
"1542755"	455.219458	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+K"	38.963158
"300664"	436.241517	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+H+K"	39.970434
"695274"	644.369667	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+H+K"	39.970434
"1447999"	228.113367	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H+K"	39.970434
"239883"	874.546426	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+ACN+H"	42.033826
"1212589"	458.290126	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+ACN+H"	42.033826
"1199024"	229.648701	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+ACN+2H"	43.041102
"189708"	877.48376	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+2Na-H"	44.97116
"631084"	1293.74006	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+2Na-H"	44.97116
"1134235"	461.22746	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2Na-H"	44.97116
"174240"	439.245518	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+2Na"	45.978436
"615625"	647.373668	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+2Na"	45.978436
"1116944"	231.117368	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2Na"	45.978436
"1401196"	154.414004	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H+2Na"	46.985712
"1430637"	463.269046	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H+HCOOH"	47.012746
"225560"	444.27854	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+3H2O+2H"	56.04448
"1509613"	477.32109	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+IsoProp+H"	61.06479
"410031"	447.232488	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+Na+K"	61.952376
"770903"	655.360638	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+Na+K"	61.952376
"1667355"	239.104338	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Na+K"	61.952376
"252414"	896.528368	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+ACN+Na"	64.015768
"1225765"	480.272068	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+ACN+Na"	64.015768
"1724968"	480.295593	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+NH4+HCOOH"	64.039293
"1189957"	161.741318	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+3Na"	68.967654
"1660942"	485.250988	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Na+HCOOH"	68.994688
"167804"	909.43164	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+2K-H"	76.91904
"607364"	1325.68794	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+2K-H"	76.91904
"1096252"	493.17534	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2K-H"	76.91904
"154161"	455.219458	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"2M+2K"	77.926316
"592631"	663.347608	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"3M+2K"	77.926316
"1078236"	247.091308	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2K"	77.926316
"1108165"	495.189892	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2K+H"	78.933592
"1346737"	495.277507	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+DMSO+H"	79.021207
"1019640"	499.316676	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2ACN+H"	83.060376
"1534486"	500.310308	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+IsoProp+Na+H"	84.054008
"997657"	250.161976	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+2ACN+2H"	84.067652
"1592162"	501.224928	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+K+HCOOH"	84.968628
"1418915"	531.256438	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+H+CF3COOH"	115.000138
"1151390"	270.675251	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+3ACN+2H"	125.094202
"1698756"	548.282985	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+NH4+CF3COOH"	132.026685
"1634527"	553.23838	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+Na+CF3COOH"	136.98208
"1575527"	569.21232	"C17156"	"Manoalide"	"C25H36O5"	"416.2563"	"M+K+CF3COOH"	152.95602
"804799"	298.2144	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M"	0
"985988"	279.19601	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-H2O-H"	-19.01839
"75329"	197.802324	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M-3H"	-3.021828
"515982"	297.207124	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M-3H"	-3.021828
"883941"	98.397524	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-3H"	-3.021828
"10169"	297.207124	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M-2H"	-2.014552
"451188"	446.314324	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M-2H"	-2.014552
"824252"	148.099924	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-2H"	-2.014552
"90802"	595.421524	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M-H"	-1.007276
"527083"	893.635924	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M-H"	-1.007276
"910232"	297.207124	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-H"	-1.007276
"62182"	612.448071	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M-2H+NH4"	16.019271
"496633"	910.662471	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M-2H+NH4"	16.019271
"875530"	314.233671	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-2H+NH4"	16.019271
"41245"	617.403466	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M-2H+Na"	20.974666
"478621"	915.617866	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M-2H+Na"	20.974666
"854233"	319.189066	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-2H+Na"	20.974666
"1622672"	319.189066	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Na-2H"	20.974666
"99201"	315.195463	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M-H+Cl"	33.962126
"537670"	464.302663	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M-H+Cl"	33.962126
"933372"	166.088263	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-H+Cl"	33.962126
"276307"	631.398202	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+Cl"	34.969402
"668727"	929.612602	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+Cl"	34.969402
"1282226"	333.183802	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Cl"	34.969402
"26970"	633.377406	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M-2H+K"	36.948606
"463250"	931.591806	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M-2H+K"	36.948606
"843242"	335.163006	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-2H+K"	36.948606
"1563450"	335.163006	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+K-2H"	36.948606
"955708"	343.212594	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-H+HCOOH"	44.998194
"374655"	641.427001	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+HCOOH-H"	44.998201
"356714"	655.442651	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+Hac-H"	59.013851
"1506644"	357.228251	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Hac-H"	59.013851
"971635"	365.194551	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-H+NaCOOH"	66.980151
"123090"	333.183802	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+2Cl"	69.938804
"563744"	482.291002	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+2Cl"	69.938804
"1033638"	184.076602	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2Cl"	69.938804
"1255042"	377.133285	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Br"	78.918885
"1313478"	379.189272	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Cl+HCOOH"	80.974872
"1327693"	401.171229	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Cl+NaCOOH"	102.956829
"919844"	411.199986	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M-H+CF3COOH"	112.985586
"1296553"	447.176664	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Cl+CF3COOH"	148.962264
"1372527"	263.201724	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H-2H2O"	-35.012676
"1385650"	281.2117	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H-H2O"	-17.0027
"286430"	597.436076	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+H"	1.007276
"678483"	895.650476	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+H"	1.007276
"1356295"	299.221676	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H"	1.007276
"132465"	299.221676	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+2H"	2.014552
"573489"	448.328876	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+2H"	2.014552
"1039734"	150.114476	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2H"	2.014552
"206173"	199.816876	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+3H"	3.021828
"647194"	299.221676	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+3H"	3.021828
"1165679"	100.412076	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+3H"	3.021828
"428596"	614.462623	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+NH4"	18.033823
"789591"	912.677023	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+NH4"	18.033823
"1682641"	316.248223	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+NH4"	18.033823
"330918"	307.7349495	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+H+NH4"	19.041099
"724189"	456.8421495	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+H+NH4"	19.041099
"1478253"	158.6277495	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H+NH4"	19.041099
"402398"	619.418018	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+Na"	22.989218
"755253"	917.632418	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+Na"	22.989218
"1603020"	321.203618	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Na"	22.989218
"314522"	310.212647	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+H+Na"	23.996494
"707334"	459.319847	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+H+Na"	23.996494
"1461606"	161.105447	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H+Na"	23.996494
"1053364"	107.73939	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2H+Na"	25.00377
"1258323"	331.247886	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+CH3OH+H"	33.033486
"379086"	635.391958	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+K"	38.963158
"739228"	933.606358	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+K"	38.963158
"1542500"	337.177558	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+K"	38.963158
"300042"	318.199617	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+H+K"	39.970434
"691819"	467.306817	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+H+K"	39.970434
"1446289"	169.092417	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H+K"	39.970434
"238171"	638.462626	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+ACN+H"	42.033826
"1215620"	340.248226	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+ACN+H"	42.033826
"1198410"	170.627751	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+ACN+2H"	43.041102
"190185"	641.39996	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+2Na-H"	44.97116
"637404"	939.61436	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+2Na-H"	44.97116
"1137630"	343.18556	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2Na-H"	44.97116
"174841"	321.203618	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+2Na"	45.978436
"613308"	470.310818	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+2Na"	45.978436
"1117543"	172.096418	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2Na"	45.978436
"1401309"	115.066704	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H+2Na"	46.985712
"1432329"	345.227146	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H+HCOOH"	47.012746
"222023"	326.23664	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+3H2O+2H"	56.04448
"1510208"	359.27919	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+IsoProp+H"	61.06479
"409411"	329.190588	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+Na+K"	61.952376
"771500"	478.297788	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+Na+K"	61.952376
"1666855"	180.083388	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Na+K"	61.952376
"253253"	660.444568	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+ACN+Na"	64.015768
"1226818"	362.230168	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+ACN+Na"	64.015768
"1713515"	362.253693	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+NH4+HCOOH"	64.039293
"1188974"	122.394018	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+3Na"	68.967654
"1659959"	367.209088	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Na+HCOOH"	68.994688
"167914"	673.34784	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+2K-H"	76.91904
"606384"	971.56224	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+2K-H"	76.91904
"1094176"	375.13344	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2K-H"	76.91904
"145526"	337.177558	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"2M+2K"	77.926316
"596511"	486.284758	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"3M+2K"	77.926316
"1076155"	188.070358	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2K"	77.926316
"1109369"	377.147992	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2K+H"	78.933592
"1345755"	377.235607	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+DMSO+H"	79.021207
"1016471"	381.274776	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2ACN+H"	83.060376
"1532412"	382.268408	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+IsoProp+Na+H"	84.054008
"1003234"	191.141026	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+2ACN+2H"	84.067652
"1595549"	383.183028	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+K+HCOOH"	84.968628
"1422303"	413.214538	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+H+CF3COOH"	115.000138
"1156967"	211.654301	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+3ACN+2H"	125.094202
"1699227"	430.241085	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+NH4+CF3COOH"	132.026685
"1634517"	435.19648	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+Na+CF3COOH"	136.98208
"1584385"	451.17042	"C17158"	"Plakortic acid"	"C17H30O4"	"298.2144"	"M+K+CF3COOH"	152.95602
"811471"	688.2621	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M"	0
"986098"	669.24371	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-H2O-H"	-19.01839
"76533"	457.834124	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M-3H"	-3.021828
"516090"	687.254824	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M-3H"	-3.021828
"880773"	228.413424	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-3H"	-3.021828
"3722"	687.254824	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M-2H"	-2.014552
"446562"	1031.385874	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M-2H"	-2.014552
"817806"	343.123774	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-2H"	-2.014552
"88727"	1375.516924	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M-H"	-1.007276
"527193"	2063.779024	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M-H"	-1.007276
"907913"	687.254824	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-H"	-1.007276
"61437"	1392.543471	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M-2H+NH4"	16.019271
"501364"	2080.805571	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M-2H+NH4"	16.019271
"877464"	704.281371	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-2H+NH4"	16.019271
"34797"	1397.498866	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M-2H+Na"	20.974666
"482012"	2085.760966	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M-2H+Na"	20.974666
"860905"	709.236766	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-2H+Na"	20.974666
"1624970"	709.236766	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Na-2H"	20.974666
"100404"	705.243163	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M-H+Cl"	33.962126
"541060"	1049.374213	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M-H+Cl"	33.962126
"932389"	361.112113	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-H+Cl"	33.962126
"275327"	1411.493602	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+Cl"	34.969402
"668840"	2099.755702	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+Cl"	34.969402
"1282337"	723.231502	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Cl"	34.969402
"27081"	1413.472806	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M-2H+K"	36.948606
"465547"	2101.734906	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M-2H+K"	36.948606
"838977"	725.210706	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-2H+K"	36.948606
"1565745"	725.210706	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+K-2H"	36.948606
"949254"	733.260294	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-H+HCOOH"	44.998194
"367473"	1421.522401	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+HCOOH-H"	44.998201
"356824"	1435.538051	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+Hac-H"	59.013851
"1502378"	747.275951	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Hac-H"	59.013851
"972109"	755.242251	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-H+NaCOOH"	66.980151
"125033"	723.231502	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+2Cl"	69.938804
"562398"	1067.362552	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+2Cl"	69.938804
"1033386"	379.100452	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2Cl"	69.938804
"1253327"	767.180985	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Br"	78.918885
"1313588"	769.236972	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Cl+HCOOH"	80.974872
"1329990"	791.218929	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Cl+NaCOOH"	102.956829
"918861"	801.247686	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M-H+CF3COOH"	112.985586
"1296665"	837.224364	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Cl+CF3COOH"	148.962264
"1374824"	653.249424	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H-2H2O"	-35.012676
"1385760"	671.2594	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H-H2O"	-17.0027
"286540"	1377.531476	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+H"	1.007276
"677864"	2065.793576	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+H"	1.007276
"1359685"	689.269376	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H"	1.007276
"136584"	689.269376	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+2H"	2.014552
"574327"	1033.400426	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+2H"	2.014552
"1042032"	345.138326	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2H"	2.014552
"207745"	459.848676	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+3H"	3.021828
"649494"	689.269376	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+3H"	3.021828
"1164577"	230.427976	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+3H"	3.021828
"435633"	1394.558023	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+NH4"	18.033823
"786300"	2082.820123	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+NH4"	18.033823
"1686037"	706.295923	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+NH4"	18.033823
"330423"	697.7826495	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+H+NH4"	19.041099
"723373"	1041.9136995	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+H+NH4"	19.041099
"1483839"	353.6515995	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H+NH4"	19.041099
"393513"	1399.513418	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+Na"	22.989218
"757674"	2087.775518	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+Na"	22.989218
"1604069"	711.251318	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Na"	22.989218
"317995"	700.260347	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+H+Na"	23.996494
"708593"	1044.391397	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+H+Na"	23.996494
"1461684"	356.129297	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H+Na"	23.996494
"1062223"	237.75529	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2H+Na"	25.00377
"1262808"	721.295586	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+CH3OH+H"	33.033486
"382477"	1415.487358	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+K"	38.963158
"739339"	2103.749458	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+K"	38.963158
"1541517"	727.225258	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+K"	38.963158
"299789"	708.247317	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+H+K"	39.970434
"692213"	1052.378367	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+H+K"	39.970434
"1447858"	364.116267	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H+K"	39.970434
"238280"	1418.558026	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+ACN+H"	42.033826
"1212813"	730.295926	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+ACN+H"	42.033826
"1197789"	365.651601	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+ACN+2H"	43.041102
"192117"	1421.49536	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+2Na-H"	44.97116
"628801"	2109.75746	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+2Na-H"	44.97116
"1135548"	733.23326	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2Na-H"	44.97116
"174829"	711.251318	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+2Na"	45.978436
"613782"	1055.382368	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+2Na"	45.978436
"1116923"	367.120268	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2Na"	45.978436
"1400327"	245.082604	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H+2Na"	46.985712
"1431709"	735.274846	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H+HCOOH"	47.012746
"221039"	716.28434	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+3H2O+2H"	56.04448
"1510564"	749.32689	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+IsoProp+H"	61.06479
"410979"	719.238288	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+Na+K"	61.952376
"771609"	1063.369338	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+Na+K"	61.952376
"1667209"	375.107238	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Na+K"	61.952376
"253366"	1440.539968	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+ACN+Na"	64.015768
"1226074"	752.277868	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+ACN+Na"	64.015768
"1712974"	752.301393	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+NH4+HCOOH"	64.039293
"1192367"	252.409918	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+3Na"	68.967654
"1660073"	757.256788	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Na+HCOOH"	68.994688
"169119"	1453.44324	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+2K-H"	76.91904
"608681"	2141.70534	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+2K-H"	76.91904
"1097567"	765.18114	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2K-H"	76.91904
"154384"	727.225258	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"2M+2K"	77.926316
"589570"	1071.356308	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"3M+2K"	77.926316
"1081739"	383.094208	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2K"	77.926316
"1111665"	767.195692	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2K+H"	78.933592
"1350119"	767.283307	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+DMSO+H"	79.021207
"1020961"	771.322476	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2ACN+H"	83.060376
"1533616"	772.316108	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+IsoProp+Na+H"	84.054008
"1001159"	386.164876	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+2ACN+2H"	84.067652
"1598941"	773.230728	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+K+HCOOH"	84.968628
"1425694"	803.262238	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+H+CF3COOH"	115.000138
"1160360"	406.678151	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+3ACN+2H"	125.094202
"1700069"	820.288785	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+NH4+CF3COOH"	132.026685
"1634238"	825.24418	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+Na+CF3COOH"	136.98208
"1584495"	841.21812	"C17159"	"Halistanol sulfate"	"C29H52O12S3"	"688.2621"	"M+K+CF3COOH"	152.95602
"806112"	770.8062	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M"	0
"989669"	751.78781	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-H2O-H"	-19.01839
"76639"	512.863524	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M-3H"	-3.021828
"516198"	769.798924	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M-3H"	-3.021828
"884163"	255.928124	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-3H"	-3.021828
"4924"	769.798924	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M-2H"	-2.014552
"449951"	1155.202024	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M-2H"	-2.014552
"821196"	384.395824	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-2H"	-2.014552
"88836"	1540.605124	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M-H"	-1.007276
"521836"	2311.411324	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M-H"	-1.007276
"905107"	769.798924	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-H"	-1.007276
"61911"	1557.631671	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M-2H+NH4"	16.019271
"501227"	2328.437871	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M-2H+NH4"	16.019271
"872470"	786.825471	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-2H+NH4"	16.019271
"34907"	1562.587066	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M-2H+Na"	20.974666
"482122"	2333.393266	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M-2H+Na"	20.974666
"855548"	791.780866	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-2H+Na"	20.974666
"1626173"	791.780866	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Na-2H"	20.974666
"97234"	787.787263	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M-H+Cl"	33.962126
"536795"	1173.190363	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M-H+Cl"	33.962126
"933592"	402.384163	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-H+Cl"	33.962126
"275436"	1576.581802	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+Cl"	34.969402
"671136"	2347.388002	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+Cl"	34.969402
"1282447"	805.775602	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Cl"	34.969402
"27191"	1578.561006	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M-2H+K"	36.948606
"465657"	2349.367206	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M-2H+K"	36.948606
"842367"	807.754806	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-2H+K"	36.948606
"1565855"	807.754806	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+K-2H"	36.948606
"951551"	815.804394	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-H+HCOOH"	44.998194
"367580"	1586.610601	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+HCOOH-H"	44.998201
"356931"	1600.626251	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+Hac-H"	59.013851
"1503579"	829.820051	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Hac-H"	59.013851
"967839"	837.786351	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-H+NaCOOH"	66.980151
"118935"	805.775602	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+2Cl"	69.938804
"562872"	1191.178702	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+2Cl"	69.938804
"1035684"	420.372502	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2Cl"	69.938804
"1254530"	849.725085	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Br"	78.918885
"1313698"	851.781072	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Cl+HCOOH"	80.974872
"1325726"	873.763029	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Cl+NaCOOH"	102.956829
"918971"	883.791786	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M-H+CF3COOH"	112.985586
"1298960"	919.768464	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Cl+CF3COOH"	148.962264
"1376028"	735.793524	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H-2H2O"	-35.012676
"1385869"	753.8035	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H-H2O"	-17.0027
"287743"	1542.619676	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+H"	1.007276
"678704"	2313.425876	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+H"	1.007276
"1358702"	771.813476	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H"	1.007276
"136330"	771.813476	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+2H"	2.014552
"579904"	1157.216576	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+2H"	2.014552
"1042142"	386.410376	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2H"	2.014552
"210042"	514.878076	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+3H"	3.021828
"649603"	771.813476	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+3H"	3.021828
"1165172"	257.942676	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+3H"	3.021828
"437200"	1559.646223	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+NH4"	18.033823
"786168"	2330.452423	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+NH4"	18.033823
"1686147"	788.840023	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+NH4"	18.033823
"330452"	780.3267495	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+H+NH4"	19.041099
"723808"	1165.7298495	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+H+NH4"	19.041099
"1488322"	394.9236495	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H+NH4"	19.041099
"394964"	1564.601618	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+Na"	22.989218
"754626"	2335.407818	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+Na"	22.989218
"1604788"	793.795418	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Na"	22.989218
"317012"	782.804447	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+H+Na"	23.996494
"709067"	1168.207547	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+H+Na"	23.996494
"1462767"	397.401347	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H+Na"	23.996494
"1057961"	265.26999	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2H+Na"	25.00377
"1264012"	803.839686	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+CH3OH+H"	33.033486
"383681"	1580.575558	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+K"	38.963158
"741030"	2351.381758	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+K"	38.963158
"1541263"	809.769358	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+K"	38.963158
"300626"	790.791417	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+H+K"	39.970434
"692080"	1176.194517	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+H+K"	39.970434
"1448333"	405.388317	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H+K"	39.970434
"239485"	1583.646226	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+ACN+H"	42.033826
"1218026"	812.840026	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+ACN+H"	42.033826
"1203003"	406.923651	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+ACN+2H"	43.041102
"192593"	1586.58356	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+2Na-H"	44.97116
"633247"	2357.38976	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+2Na-H"	44.97116
"1141128"	815.77736	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2Na-H"	44.97116
"181137"	793.795418	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+2Na"	45.978436
"615594"	1179.198518	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+2Na"	45.978436
"1122017"	408.392318	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2Na"	45.978436
"1399705"	272.597304	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H+2Na"	46.985712
"1432546"	817.818946	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H+HCOOH"	47.012746
"220542"	798.82844	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+3H2O+2H"	56.04448
"1512138"	831.87099	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+IsoProp+H"	61.06479
"409635"	801.782388	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+Na+K"	61.952376
"771114"	1187.185488	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+Na+K"	61.952376
"1667684"	416.379288	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Na+K"	61.952376
"254205"	1605.628168	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+ACN+Na"	64.015768
"1227642"	834.821968	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+ACN+Na"	64.015768
"1713979"	834.845493	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+NH4+HCOOH"	64.039293
"1191384"	279.924618	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+3Na"	68.967654
"1660183"	839.800888	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Na+HCOOH"	68.994688
"168136"	1618.53144	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+2K-H"	76.91904
"606605"	2389.33764	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+2K-H"	76.91904
"1096584"	847.72524	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2K-H"	76.91904
"153401"	809.769358	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"2M+2K"	77.926316
"589680"	1195.172458	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"3M+2K"	77.926316
"1079662"	424.366258	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2K"	77.926316
"1112868"	849.739792	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2K+H"	78.933592
"1345974"	849.827407	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+DMSO+H"	79.021207
"1020339"	853.866576	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2ACN+H"	83.060376
"1533725"	854.860208	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+IsoProp+Na+H"	84.054008
"1001268"	427.436926	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+2ACN+2H"	84.067652
"1599051"	855.774828	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+K+HCOOH"	84.968628
"1421429"	885.806338	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+H+CF3COOH"	115.000138
"1160834"	447.950201	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+3ACN+2H"	125.094202
"1699085"	902.832885	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+NH4+CF3COOH"	132.026685
"1634289"	907.78828	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+Na+CF3COOH"	136.98208
"1584605"	923.76222	"C17160"	"Fistularin 1"	"C22H21Br4N3O8"	"770.8062"	"M+K+CF3COOH"	152.95602
"805129"	770.8062	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M"	0
"986318"	751.78781	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-H2O-H"	-19.01839
"77119"	512.863524	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M-3H"	-3.021828
"514122"	769.798924	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M-3H"	-3.021828
"884273"	255.928124	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-3H"	-3.021828
"7221"	769.798924	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M-2H"	-2.014552
"444596"	1155.202024	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M-2H"	-2.014552
"824581"	384.395824	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-2H"	-2.014552
"84573"	1540.605124	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M-H"	-1.007276
"525229"	2311.411324	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M-H"	-1.007276
"905216"	769.798924	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-H"	-1.007276
"60442"	1557.631671	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M-2H+NH4"	16.019271
"495871"	2328.437871	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M-2H+NH4"	16.019271
"871485"	786.825471	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-2H+NH4"	16.019271
"33313"	1562.587066	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M-2H+Na"	20.974666
"476763"	2333.393266	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M-2H+Na"	20.974666
"852375"	791.780866	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-2H+Na"	20.974666
"1628470"	791.780866	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Na-2H"	20.974666
"99533"	787.787263	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M-H+Cl"	33.962126
"537999"	1173.190363	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M-H+Cl"	33.962126
"935891"	402.384163	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-H+Cl"	33.962126
"279919"	1576.581802	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+Cl"	34.969402
"671252"	2347.388002	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+Cl"	34.969402
"1284743"	805.775602	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Cl"	34.969402
"28761"	1578.561006	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M-2H+K"	36.948606
"464673"	2349.367206	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M-2H+K"	36.948606
"843571"	807.754806	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-2H+K"	36.948606
"1564871"	807.754806	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+K-2H"	36.948606
"953849"	815.804394	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-H+HCOOH"	44.998194
"368784"	1586.610601	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+HCOOH-H"	44.998201
"355948"	1600.626251	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+Hac-H"	59.013851
"1501502"	829.820051	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Hac-H"	59.013851
"969043"	837.786351	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-H+NaCOOH"	66.980151
"119045"	805.775602	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+2Cl"	69.938804
"559700"	1191.178702	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+2Cl"	69.938804
"1032512"	420.372502	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2Cl"	69.938804
"1249173"	849.725085	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Br"	78.918885
"1310528"	851.781072	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Cl+HCOOH"	80.974872
"1329117"	873.763029	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Cl+NaCOOH"	102.956829
"917988"	883.791786	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M-H+CF3COOH"	112.985586
"1295790"	919.768464	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Cl+CF3COOH"	148.962264
"1372858"	735.793524	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H-2H2O"	-35.012676
"1392542"	753.8035	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H-H2O"	-17.0027
"287853"	1542.619676	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+H"	1.007276
"678086"	2313.425876	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+H"	1.007276
"1358812"	771.813476	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H"	1.007276
"137172"	771.813476	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+2H"	2.014552
"578190"	1157.216576	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+2H"	2.014552
"1044438"	386.410376	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2H"	2.014552
"214527"	514.878076	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+3H"	3.021828
"649711"	771.813476	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+3H"	3.021828
"1167104"	257.942676	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+3H"	3.021828
"432207"	1559.646223	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+NH4"	18.033823
"788827"	2330.452423	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+NH4"	18.033823
"1683337"	788.840023	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+NH4"	18.033823
"331366"	780.3267495	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+H+NH4"	19.041099
"723671"	1165.7298495	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+H+NH4"	19.041099
"1478582"	394.9236495	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H+NH4"	19.041099
"394346"	1564.601618	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+Na"	22.989218
"757163"	2335.407818	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+Na"	22.989218
"1603679"	793.795418	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Na"	22.989218
"314565"	782.804447	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+H+Na"	23.996494
"708328"	1168.207547	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+H+Na"	23.996494
"1464824"	397.401347	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H+Na"	23.996494
"1056977"	265.26999	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2H+Na"	25.00377
"1261936"	803.839686	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+CH3OH+H"	33.033486
"383792"	1580.575558	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+K"	38.963158
"743697"	2351.381758	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+K"	38.963158
"1543925"	809.769358	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+K"	38.963158
"300737"	790.791417	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+H+K"	39.970434
"693523"	1176.194517	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+H+K"	39.970434
"1447344"	405.388317	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H+K"	39.970434
"238501"	1583.646226	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+ACN+H"	42.033826
"1212300"	812.840026	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+ACN+H"	42.033826
"1202019"	406.923651	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+ACN+2H"	43.041102
"193798"	1586.58356	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+2Na-H"	44.97116
"633359"	2357.38976	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+2Na-H"	44.97116
"1134678"	815.77736	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2Na-H"	44.97116
"174810"	793.795418	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+2Na"	45.978436
"614977"	1179.198518	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+2Na"	45.978436
"1117993"	408.392318	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2Na"	45.978436
"1401636"	272.597304	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H+2Na"	46.985712
"1431933"	817.818946	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H+HCOOH"	47.012746
"224183"	798.82844	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+3H2O+2H"	56.04448
"1511155"	831.87099	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+IsoProp+H"	61.06479
"411200"	801.782388	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+Na+K"	61.952376
"774024"	1187.185488	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+Na+K"	61.952376
"1667309"	416.379288	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Na+K"	61.952376
"254676"	1605.628168	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+ACN+Na"	64.015768
"1228481"	834.821968	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+ACN+Na"	64.015768
"1714211"	834.845493	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+NH4+HCOOH"	64.039293
"1191129"	279.924618	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+3Na"	68.967654
"1660293"	839.800888	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Na+HCOOH"	68.994688
"167154"	1618.53144	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+2K-H"	76.91904
"607808"	2389.33764	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+2K-H"	76.91904
"1097789"	847.72524	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2K-H"	76.91904
"152418"	809.769358	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"2M+2K"	77.926316
"593072"	1195.172458	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"3M+2K"	77.926316
"1079768"	424.366258	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2K"	77.926316
"1112979"	849.739792	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2K+H"	78.933592
"1343899"	849.827407	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+DMSO+H"	79.021207
"1020571"	853.866576	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2ACN+H"	83.060376
"1536021"	854.860208	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+IsoProp+Na+H"	84.054008
"1002469"	427.436926	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+2ACN+2H"	84.067652
"1599161"	855.774828	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+K+HCOOH"	84.968628
"1423727"	885.806338	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+H+CF3COOH"	115.000138
"1160213"	447.950201	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+3ACN+2H"	125.094202
"1703566"	902.832885	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+NH4+CF3COOH"	132.026685
"1635941"	907.78828	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+Na+CF3COOH"	136.98208
"1584715"	923.76222	"C17161"	"Fistularin 2"	"C22H21Br4N3O8"	"770.8062"	"M+K+CF3COOH"	152.95602
"805239"	473.9538	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M"	0
"987522"	454.93541	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-H2O-H"	-19.01839
"78408"	314.961924	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M-3H"	-3.021828
"514232"	472.946524	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M-3H"	-3.021828
"894953"	156.977324	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-3H"	-3.021828
"7331"	472.946524	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M-2H"	-2.014552
"447985"	709.923424	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M-2H"	-2.014552
"824696"	235.969624	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-2H"	-2.014552
"91244"	946.900324	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M-H"	-1.007276
"528619"	1420.854124	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M-H"	-1.007276
"908606"	472.946524	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-H"	-1.007276
"60673"	963.926871	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M-2H+NH4"	16.019271
"495981"	1437.880671	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M-2H+NH4"	16.019271
"873783"	489.973071	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-2H+NH4"	16.019271
"33303"	968.882266	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M-2H+Na"	20.974666
"480153"	1442.836066	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M-2H+Na"	20.974666
"856860"	494.928466	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-2H+Na"	20.974666
"1625300"	494.928466	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Na-2H"	20.974666
"99643"	490.934863	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M-H+Cl"	33.962126
"536287"	727.911763	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M-H+Cl"	33.962126
"938187"	253.957963	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-H+Cl"	33.962126
"277842"	982.877002	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+Cl"	34.969402
"672821"	1456.830802	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+Cl"	34.969402
"1285947"	508.923202	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Cl"	34.969402
"29235"	984.856206	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M-2H+K"	36.948606
"464783"	1458.810006	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M-2H+K"	36.948606
"846597"	510.902406	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-2H+K"	36.948606
"1568990"	510.902406	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+K-2H"	36.948606
"953959"	518.951994	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-H+HCOOH"	44.998194
"368894"	992.905801	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+HCOOH-H"	44.998201
"354965"	1006.921451	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+Hac-H"	59.013851
"1502705"	532.967651	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Hac-H"	59.013851
"966967"	540.933951	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-H+NaCOOH"	66.980151
"120248"	508.923202	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+2Cl"	69.938804
"561996"	745.900102	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+2Cl"	69.938804
"1031891"	271.946302	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2Cl"	69.938804
"1249283"	552.872685	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Br"	78.918885
"1308451"	554.928672	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Cl+HCOOH"	80.974872
"1330320"	576.910629	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Cl+NaCOOH"	102.956829
"918098"	586.939386	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M-H+CF3COOH"	112.985586
"1295900"	622.916064	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Cl+CF3COOH"	148.962264
"1371874"	438.941124	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H-2H2O"	-35.012676
"1393745"	456.9511	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H-H2O"	-17.0027
"286869"	948.914876	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+H"	1.007276
"678924"	1422.868676	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+H"	1.007276
"1354183"	474.961076	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H"	1.007276
"135824"	474.961076	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+2H"	2.014552
"575019"	711.937976	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+2H"	2.014552
"1042361"	237.984176	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2H"	2.014552
"214636"	316.976476	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+3H"	3.021828
"649821"	474.961076	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+3H"	3.021828
"1164175"	158.991876	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+3H"	3.021828
"431224"	965.941423	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+NH4"	18.033823
"789301"	1439.895223	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+NH4"	18.033823
"1682960"	491.987623	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+NH4"	18.033823
"331356"	483.4743495	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+H+NH4"	19.041099
"725239"	720.4512495	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+H+NH4"	19.041099
"1478329"	246.4974495	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H+NH4"	19.041099
"393850"	970.896818	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+Na"	22.989218
"755816"	1444.850618	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+Na"	22.989218
"1603548"	496.943018	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Na"	22.989218
"314593"	485.952047	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+H+Na"	23.996494
"707177"	722.928947	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+H+Na"	23.996494
"1463841"	248.975147	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H+Na"	23.996494
"1055994"	166.31919	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2H+Na"	25.00377
"1260953"	506.987286	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+CH3OH+H"	33.033486
"381716"	986.870758	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+K"	38.963158
"741984"	1460.824558	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+K"	38.963158
"1541483"	512.916958	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+K"	38.963158
"299024"	493.939017	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+H+K"	39.970434
"691850"	730.915917	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+H+K"	39.970434
"1445749"	256.962117	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H+K"	39.970434
"237025"	989.941426	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+ACN+H"	42.033826
"1211679"	515.987626	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+ACN+H"	42.033826
"1197756"	258.497451	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+ACN+2H"	43.041102
"199376"	992.87876	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+2Na-H"	44.97116
"631037"	1466.83256	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+2Na-H"	44.97116
"1133329"	518.92496	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2Na-H"	44.97116
"178077"	496.943018	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+2Na"	45.978436
"614114"	733.919918	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+2Na"	45.978436
"1118959"	259.966118	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2Na"	45.978436
"1399321"	173.646504	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H+2Na"	46.985712
"1431681"	520.966546	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H+HCOOH"	47.012746
"221741"	501.97604	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+3H2O+2H"	56.04448
"1515637"	535.01859	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+IsoProp+H"	61.06479
"412043"	504.929988	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+Na+K"	61.952376
"772311"	741.906888	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+Na+K"	61.952376
"1666087"	267.953088	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Na+K"	61.952376
"253452"	1011.923368	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+ACN+Na"	64.015768
"1234069"	537.969568	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+ACN+Na"	64.015768
"1714562"	537.993093	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+NH4+HCOOH"	64.039293
"1191239"	180.973818	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+3Na"	68.967654
"1661496"	542.948488	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Na+HCOOH"	68.994688
"168357"	1024.82664	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+2K-H"	76.91904
"609011"	1498.78044	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+2K-H"	76.91904
"1098992"	550.87284	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2K-H"	76.91904
"156297"	512.916958	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"2M+2K"	77.926316
"593182"	749.893858	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"3M+2K"	77.926316
"1083404"	275.940058	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2K"	77.926316
"1113089"	552.887392	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2K+H"	78.933592
"1346196"	552.975007	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+DMSO+H"	79.021207
"1020193"	557.014176	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2ACN+H"	83.060376
"1536131"	558.007808	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+IsoProp+Na+H"	84.054008
"1004281"	279.010726	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+2ACN+2H"	84.067652
"1598178"	558.922428	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+K+HCOOH"	84.968628
"1428212"	588.953938	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+H+CF3COOH"	115.000138
"1157409"	299.524001	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+3ACN+2H"	125.094202
"1711332"	605.980485	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+NH4+CF3COOH"	132.026685
"1636051"	610.93588	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+Na+CF3COOH"	136.98208
"1584825"	626.90982	"C17162"	"Aerophobin 1"	"C15H16Br2N4O4"	"473.9538"	"M+K+CF3COOH"	152.95602
"805349"	502.9804	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M"	0
"988725"	483.96201	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-H2O-H"	-19.01839
"78443"	334.312990666667	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M-3H"	-3.021828
"513249"	501.973124	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M-3H"	-3.021828
"895532"	166.652857333333	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-3H"	-3.021828
"8535"	501.973124	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M-2H"	-2.014552
"455633"	753.463324	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M-2H"	-2.014552
"830274"	250.482924	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-2H"	-2.014552
"94071"	1004.953524	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M-H"	-1.007276
"530916"	1507.933924	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M-H"	-1.007276
"907623"	501.973124	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-H"	-1.007276
"57623"	1021.980071	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M-2H+NH4"	16.019271
"499371"	1524.960471	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M-2H+NH4"	16.019271
"876808"	518.999671	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-2H+NH4"	16.019271
"33777"	1026.935466	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M-2H+Na"	20.974666
"475889"	1529.915866	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M-2H+Na"	20.974666
"853689"	523.955066	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-2H+Na"	20.974666
"1624317"	523.955066	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Na-2H"	20.974666
"99753"	519.961463	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M-H+Cl"	33.962126
"540407"	771.451663	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M-H+Cl"	33.962126
"939392"	268.471263	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-H+Cl"	33.962126
"279412"	1040.930202	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+Cl"	34.969402
"671106"	1543.910602	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+Cl"	34.969402
"1282777"	537.949802	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Cl"	34.969402
"28981"	1042.909406	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M-2H+K"	36.948606
"469634"	1545.889806	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M-2H+K"	36.948606
"843791"	539.929006	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-2H+K"	36.948606
"1568371"	539.929006	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+K-2H"	36.948606
"952977"	547.978594	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-H+HCOOH"	44.998194
"376625"	1050.959001	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+HCOOH-H"	44.998201
"358355"	1064.974651	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+Hac-H"	59.013851
"1501723"	561.994251	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Hac-H"	59.013851
"965984"	569.960551	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-H+NaCOOH"	66.980151
"120359"	537.949802	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+2Cl"	69.938804
"558828"	789.440002	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+2Cl"	69.938804
"1033095"	286.459602	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2Cl"	69.938804
"1251580"	581.899285	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Br"	78.918885
"1314028"	583.955272	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Cl+HCOOH"	80.974872
"1327150"	605.937229	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Cl+NaCOOH"	102.956829
"917115"	615.965986	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M-H+CF3COOH"	112.985586
"1294917"	651.942664	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Cl+CF3COOH"	148.962264
"1375265"	467.967724	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H-2H2O"	-35.012676
"1390576"	485.9777	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H-H2O"	-17.0027
"286615"	1006.968076	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+H"	1.007276
"679034"	1509.948476	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+H"	1.007276
"1359032"	503.987676	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H"	1.007276
"134841"	503.987676	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+2H"	2.014552
"575494"	755.477876	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+2H"	2.014552
"1042472"	252.497476	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2H"	2.014552
"211467"	336.327542666667	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+3H"	3.021828
"647746"	503.987676	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+3H"	3.021828
"1164409"	168.667409333333	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+3H"	3.021828
"433521"	1023.994623	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+NH4"	18.033823
"787957"	1526.975023	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+NH4"	18.033823
"1688664"	521.014223	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+NH4"	18.033823
"330495"	512.5009495	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+H+NH4"	19.041099
"722876"	763.9911495	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+H+NH4"	19.041099
"1480996"	261.0107495	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H+NH4"	19.041099
"395301"	1028.950018	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+Na"	22.989218
"754631"	1531.930418	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+Na"	22.989218
"1603175"	525.969618	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Na"	22.989218
"315157"	514.978647	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+H+Na"	23.996494
"707112"	766.468847	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+H+Na"	23.996494
"1465045"	263.488447	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H+Na"	23.996494
"1056104"	175.994723333333	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2H+Na"	25.00377
"1258510"	536.013886	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+CH3OH+H"	33.033486
"382920"	1044.923958	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+K"	38.963158
"741730"	1547.904358	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+K"	38.963158
"1541959"	541.943558	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+K"	38.963158
"299136"	522.965617	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+H+K"	39.970434
"691838"	774.455817	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+H+K"	39.970434
"1446346"	271.475417	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H+K"	39.970434
"236049"	1047.994626	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+ACN+H"	42.033826
"1211064"	545.014226	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+ACN+H"	42.033826
"1196772"	273.010751	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+ACN+2H"	43.041102
"192925"	1050.93196	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+2Na-H"	44.97116
"629932"	1553.91236	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+2Na-H"	44.97116
"1131692"	547.95156	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2Na-H"	44.97116
"178186"	525.969618	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+2Na"	45.978436
"613735"	777.459818	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+2Na"	45.978436
"1116510"	274.479418	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2Na"	45.978436
"1398936"	183.322037333333	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H+2Na"	46.985712
"1430367"	549.993146	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H+HCOOH"	47.012746
"220223"	531.00264	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+3H2O+2H"	56.04448
"1508483"	564.04519	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+IsoProp+H"	61.06479
"409233"	533.956588	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+Na+K"	61.952376
"770235"	785.446788	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+Na+K"	61.952376
"1665823"	282.466388	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Na+K"	61.952376
"252711"	1069.976568	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+ACN+Na"	64.015768
"1232721"	566.996168	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+ACN+Na"	64.015768
"1712760"	567.019693	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+NH4+HCOOH"	64.039293
"1185142"	190.649351333333	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+3Na"	68.967654
"1663792"	571.975088	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Na+HCOOH"	68.994688
"170652"	1082.87984	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+2K-H"	76.91904
"610215"	1585.86024	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+2K-H"	76.91904
"1096914"	579.89944	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2K-H"	76.91904
"156649"	541.943558	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"2M+2K"	77.926316
"593293"	793.433758	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"3M+2K"	77.926316
"1083925"	290.453358	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2K"	77.926316
"1114171"	581.913992	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2K+H"	78.933592
"1347398"	582.001607	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+DMSO+H"	79.021207
"1019210"	586.040776	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2ACN+H"	83.060376
"1536241"	587.034408	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+IsoProp+Na+H"	84.054008
"1004633"	293.524026	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+2ACN+2H"	84.067652
"1600475"	587.949028	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+K+HCOOH"	84.968628
"1428322"	617.980538	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+H+CF3COOH"	115.000138
"1161891"	314.037301	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+3ACN+2H"	125.094202
"1711441"	635.007085	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+NH4+CF3COOH"	132.026685
"1634292"	639.96248	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+Na+CF3COOH"	136.98208
"1584935"	655.93642	"C17163"	"Aerophobin 2"	"C16H19Br2N5O4"	"502.9804"	"M+K+CF3COOH"	152.95602
"805459"	618.045	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M"	0
"989084"	599.02661	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-H2O-H"	-19.01839
"77811"	411.022724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M-3H"	-3.021828
"518101"	617.037724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M-3H"	-3.021828
"895398"	205.007724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-3H"	-3.021828
"15333"	617.037724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M-2H"	-2.014552
"454649"	926.060224	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M-2H"	-2.014552
"831721"	308.015224	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-2H"	-2.014552
"90376"	1235.082724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M-H"	-1.007276
"532734"	1853.127724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M-H"	-1.007276
"909802"	617.037724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-H"	-1.007276
"55548"	1252.109271	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M-2H+NH4"	16.019271
"501914"	1870.154271	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M-2H+NH4"	16.019271
"875097"	634.064271	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-2H+NH4"	16.019271
"38626"	1257.064666	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M-2H+Na"	20.974666
"478186"	1875.109666	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M-2H+Na"	20.974666
"853800"	639.019666	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-2H+Na"	20.974666
"1624427"	639.019666	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Na-2H"	20.974666
"99863"	635.026063	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M-H+Cl"	33.962126
"540517"	944.048563	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M-H+Cl"	33.962126
"938409"	326.003563	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-H+Cl"	33.962126
"280983"	1271.059402	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+Cl"	34.969402
"673407"	1889.104402	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+Cl"	34.969402
"1284714"	653.014402	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Cl"	34.969402
"26540"	1273.038606	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M-2H+K"	36.948606
"469019"	1891.083606	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M-2H+K"	36.948606
"844996"	654.993606	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-2H+K"	36.948606
"1569946"	654.993606	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+K-2H"	36.948606
"953087"	663.043194	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-H+HCOOH"	44.998194
"372398"	1281.088201	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+HCOOH-H"	44.998201
"354095"	1295.103851	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+Hac-H"	59.013851
"1503659"	677.058851	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Hac-H"	59.013851
"972662"	685.025151	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-H+NaCOOH"	66.980151
"124119"	653.014402	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+2Cl"	69.938804
"560032"	962.036902	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+2Cl"	69.938804
"1034666"	343.991902	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2Cl"	69.938804
"1251690"	696.963885	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Br"	78.918885
"1316690"	699.019872	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Cl+HCOOH"	80.974872
"1333460"	721.001829	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Cl+NaCOOH"	102.956829
"923058"	731.030586	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M-H+CF3COOH"	112.985586
"1300496"	767.007264	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Cl+CF3COOH"	148.962264
"1379750"	583.032324	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H-2H2O"	-35.012676
"1389592"	601.0423	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H-H2O"	-17.0027
"285997"	1237.097276	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+H"	1.007276
"682792"	1855.142276	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+H"	1.007276
"1352944"	619.052276	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H"	1.007276
"139689"	619.052276	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+2H"	2.014552
"578156"	928.074776	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+2H"	2.014552
"1042580"	310.029776	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2H"	2.014552
"210481"	413.037276	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+3H"	3.021828
"647856"	619.052276	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+3H"	3.021828
"1168169"	207.022276	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+3H"	3.021828
"429260"	1254.123823	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+NH4"	18.033823
"789162"	1872.168823	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+NH4"	18.033823
"1685494"	636.078823	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+NH4"	18.033823
"330492"	627.5655495	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+H+NH4"	19.041099
"730568"	936.5880495	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+H+NH4"	19.041099
"1481108"	318.5430495	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H+NH4"	19.041099
"396506"	1259.079218	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+Na"	22.989218
"757498"	1877.124218	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+Na"	22.989218
"1603325"	641.034218	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Na"	22.989218
"314492"	630.043247	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+H+Na"	23.996494
"707133"	939.065747	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+H+Na"	23.996494
"1465155"	321.020747	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H+Na"	23.996494
"1056214"	214.34959	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2H+Na"	25.00377
"1257391"	651.078486	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+CH3OH+H"	33.033486
"378652"	1275.053158	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+K"	38.963158
"741105"	1893.098158	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+K"	38.963158
"1541334"	657.008158	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+K"	38.963158
"300336"	638.030217	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+H+K"	39.970434
"693126"	947.052717	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+H+K"	39.970434
"1447311"	329.007717	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H+K"	39.970434
"237373"	1278.123826	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+ACN+H"	42.033826
"1211173"	660.078826	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+ACN+H"	42.033826
"1196882"	330.543051	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+ACN+2H"	43.041102
"193035"	1281.06116	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+2Na-H"	44.97116
"631864"	1899.10616	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+2Na-H"	44.97116
"1131923"	663.01616	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2Na-H"	44.97116
"176472"	641.034218	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+2Na"	45.978436
"613723"	950.056718	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+2Na"	45.978436
"1115969"	332.011718	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2Na"	45.978436
"1398923"	221.676904	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H+2Na"	46.985712
"1431165"	665.057746	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H+HCOOH"	47.012746
"220980"	646.06724	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+3H2O+2H"	56.04448
"1509649"	679.10979	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+IsoProp+H"	61.06479
"409218"	649.021188	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+Na+K"	61.952376
"770709"	958.043688	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+Na+K"	61.952376
"1665645"	339.998688	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Na+K"	61.952376
"251561"	1300.105768	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+ACN+Na"	64.015768
"1229551"	682.060768	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+ACN+Na"	64.015768
"1713190"	682.084293	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+NH4+HCOOH"	64.039293
"1181970"	229.004218	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+3Na"	68.967654
"1663537"	687.039688	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Na+HCOOH"	68.994688
"169672"	1313.00904	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+2K-H"	76.91904
"612790"	1931.05404	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+2K-H"	76.91904
"1099701"	694.96404	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2K-H"	76.91904
"157088"	657.008158	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"2M+2K"	77.926316
"596563"	966.030658	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"3M+2K"	77.926316
"1083025"	347.985658	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2K"	77.926316
"1115134"	696.978592	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2K+H"	78.933592
"1348604"	697.066207	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+DMSO+H"	79.021207
"1020414"	701.105376	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2ACN+H"	83.060376
"1537445"	702.099008	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+IsoProp+Na+H"	84.054008
"1002799"	351.056326	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+2ACN+2H"	84.067652
"1602287"	703.013628	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+K+HCOOH"	84.968628
"1428432"	733.045138	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+H+CF3COOH"	115.000138
"1160907"	371.569601	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+3ACN+2H"	125.094202
"1711551"	750.071685	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+NH4+CF3COOH"	132.026685
"1635538"	755.02708	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+Na+CF3COOH"	136.98208
"1576297"	771.00102	"C17166"	"Sceptrin"	"C22H24Br2N10O2"	"618.045"	"M+K+CF3COOH"	152.95602
"805569"	369.0147	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M"	0
"988460"	349.99631	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-H2O-H"	-19.01839
"77312"	245.002524	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M-3H"	-3.021828
"511281"	368.007424	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M-3H"	-3.021828
"895161"	121.997624	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-3H"	-3.021828
"12034"	368.007424	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M-2H"	-2.014552
"451603"	552.514774	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M-2H"	-2.014552
"829767"	183.500074	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-2H"	-2.014552
"89762"	737.022124	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M-H"	-1.007276
"528951"	1106.036824	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M-H"	-1.007276
"908211"	368.007424	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-H"	-1.007276
"55658"	754.048671	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M-2H+NH4"	16.019271
"496313"	1123.063371	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M-2H+NH4"	16.019271
"874114"	385.033971	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-2H+NH4"	16.019271
"38737"	759.004066	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M-2H+Na"	20.974666
"476109"	1128.018766	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M-2H+Na"	20.974666
"850630"	389.989366	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-2H+Na"	20.974666
"1622350"	389.989366	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Na-2H"	20.974666
"102160"	385.995763	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M-H+Cl"	33.962126
"540627"	570.503113	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M-H+Cl"	33.962126
"938884"	201.488413	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-H+Cl"	33.962126
"280729"	772.998802	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+Cl"	34.969402
"675184"	1142.013502	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+Cl"	34.969402
"1287952"	403.984102	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Cl"	34.969402
"29935"	774.978006	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M-2H+K"	36.948606
"470840"	1143.992706	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M-2H+K"	36.948606
"847662"	405.963306	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-2H+K"	36.948606
"1570788"	405.963306	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+K-2H"	36.948606
"953929"	414.012894	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-H+HCOOH"	44.998194
"373604"	783.027601	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+HCOOH-H"	44.998201
"355298"	797.043251	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+Hac-H"	59.013851
"1507051"	428.028551	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Hac-H"	59.013851
"972040"	435.994851	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-H+NaCOOH"	66.980151
"122041"	403.984102	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+2Cl"	69.938804
"563426"	588.491452	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+2Cl"	69.938804
"1034412"	219.476752	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2Cl"	69.938804
"1255448"	447.933585	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Br"	78.918885
"1316800"	449.989572	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Cl+HCOOH"	80.974872
"1330287"	471.971529	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Cl+NaCOOH"	102.956829
"920981"	482.000286	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M-H+CF3COOH"	112.985586
"1297323"	517.976964	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Cl+CF3COOH"	148.962264
"1376944"	334.002024	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H-2H2O"	-35.012676
"1388608"	352.012	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H-H2O"	-17.0027
"287200"	739.036676	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+H"	1.007276
"682902"	1108.051376	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+H"	1.007276
"1353053"	370.021976	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H"	1.007276
"140163"	370.021976	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+2H"	2.014552
"575714"	554.529326	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+2H"	2.014552
"1040866"	185.514626	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2H"	2.014552
"208403"	247.017076	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+3H"	3.021828
"647965"	370.021976	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+3H"	3.021828
"1168279"	124.012176	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+3H"	3.021828
"435930"	756.063223	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+NH4"	18.033823
"792553"	1125.077923	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+NH4"	18.033823
"1686697"	387.048523	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+NH4"	18.033823
"333883"	378.5352495	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+H+NH4"	19.041099
"733959"	563.0425995	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+H+NH4"	19.041099
"1480124"	194.0278995	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H+NH4"	19.041099
"396616"	761.018618	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+Na"	22.989218
"755784"	1130.033318	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+Na"	22.989218
"1604854"	392.003918	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Na"	22.989218
"314400"	381.012947	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+H+Na"	23.996494
"707421"	565.520297	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+H+Na"	23.996494
"1466358"	196.505597	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H+Na"	23.996494
"1056326"	131.33949	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2H+Na"	25.00377
"1257345"	402.048186	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+CH3OH+H"	33.033486
"383137"	776.992558	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+K"	38.963158
"741214"	1146.007258	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+K"	38.963158
"1542172"	407.977858	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+K"	38.963158
"301174"	388.999917	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+H+K"	39.970434
"693603"	573.507267	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+H+K"	39.970434
"1447785"	204.492567	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H+K"	39.970434
"237847"	780.063226	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+ACN+H"	42.033826
"1212742"	411.048526	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+ACN+H"	42.033826
"1197356"	206.027901	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+ACN+2H"	43.041102
"195332"	783.00056	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+2Na-H"	44.97116
"632338"	1152.01526	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+2Na-H"	44.97116
"1132559"	413.98586	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2Na-H"	44.97116
"176582"	392.003918	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+2Na"	45.978436
"613955"	576.511268	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+2Na"	45.978436
"1116851"	207.496568	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2Na"	45.978436
"1399316"	138.666804	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H+2Na"	46.985712
"1431396"	416.027446	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H+HCOOH"	47.012746
"220847"	397.03694	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+3H2O+2H"	56.04448
"1509759"	430.07949	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+IsoProp+H"	61.06479
"409206"	399.990888	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+Na+K"	61.952376
"770321"	584.498238	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+Na+K"	61.952376
"1666043"	215.483538	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Na+K"	61.952376
"252806"	802.045168	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+ACN+Na"	64.015768
"1227838"	433.030468	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+ACN+Na"	64.015768
"1712948"	433.053993	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+NH4+HCOOH"	64.039293
"1181716"	145.994118	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+3Na"	68.967654
"1664863"	438.009388	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Na+HCOOH"	68.994688
"169781"	814.94844	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+2K-H"	76.91904
"607150"	1183.96314	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+2K-H"	76.91904
"1099567"	445.93374	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2K-H"	76.91904
"154800"	407.977858	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"2M+2K"	77.926316
"593510"	592.485208	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"3M+2K"	77.926316
"1083614"	223.470508	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2K"	77.926316
"1114393"	447.948292	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2K+H"	78.933592
"1349080"	448.035907	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+DMSO+H"	79.021207
"1015058"	452.075076	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2ACN+H"	83.060376
"1537555"	453.068708	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+IsoProp+Na+H"	84.054008
"1005099"	226.541176	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+2ACN+2H"	84.067652
"1598507"	453.983328	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+K+HCOOH"	84.968628
"1428541"	484.014838	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+H+CF3COOH"	115.000138
"1157737"	247.054451	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+3ACN+2H"	125.094202
"1711661"	501.041385	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+NH4+CF3COOH"	132.026685
"1636012"	505.99678	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+Na+CF3COOH"	136.98208
"1576407"	521.97072	"C17167"	"Eudistomin C"	"C14H16BrN3O2S"	"369.0147"	"M+K+CF3COOH"	152.95602
"812241"	313.0215	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M"	0
"989055"	294.00311	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-H2O-H"	-19.01839
"78305"	207.673724	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M-3H"	-3.021828
"511392"	312.014224	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M-3H"	-3.021828
"892474"	103.333224	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-3H"	-3.021828
"15270"	312.014224	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M-2H"	-2.014552
"455111"	468.524974	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M-2H"	-2.014552
"830970"	155.503474	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-2H"	-2.014552
"91325"	625.035724	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M-H"	-1.007276
"531614"	938.057224	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M-H"	-1.007276
"905769"	312.014224	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-H"	-1.007276
"57955"	642.062271	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M-2H+NH4"	16.019271
"494236"	955.083771	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M-2H+NH4"	16.019271
"867663"	329.040771	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-2H+NH4"	16.019271
"38846"	647.017666	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M-2H+Na"	20.974666
"476219"	960.039166	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M-2H+Na"	20.974666
"851834"	333.996166	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-2H+Na"	20.974666
"1620274"	333.996166	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Na-2H"	20.974666
"98990"	330.002563	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M-H+Cl"	33.962126
"540737"	486.513313	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M-H+Cl"	33.962126
"938632"	173.491813	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-H+Cl"	33.962126
"282597"	661.012402	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+Cl"	34.969402
"674849"	974.033902	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+Cl"	34.969402
"1287738"	347.990902	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Cl"	34.969402
"31274"	662.991606	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M-2H+K"	36.948606
"470828"	976.013106	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M-2H+K"	36.948606
"848023"	349.970106	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-2H+K"	36.948606
"1570296"	349.970106	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+K-2H"	36.948606
"956590"	358.019694	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-H+HCOOH"	44.998194
"375537"	671.041201	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+HCOOH-H"	44.998201
"358326"	685.056851	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+Hac-H"	59.013851
"1508137"	372.035351	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Hac-H"	59.013851
"973735"	380.001651	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-H+NaCOOH"	66.980151
"125651"	347.990902	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+2Cl"	69.938804
"564753"	504.501652	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+2Cl"	69.938804
"1035132"	191.480152	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2Cl"	69.938804
"1256936"	391.940385	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Br"	78.918885
"1314359"	393.996372	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Cl+HCOOH"	80.974872
"1334289"	415.978329	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Cl+NaCOOH"	102.956829
"925829"	426.007086	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M-H+CF3COOH"	112.985586
"1301444"	461.983764	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Cl+CF3COOH"	148.962264
"1378512"	278.008824	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H-2H2O"	-35.012676
"1396375"	296.0188	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H-H2O"	-17.0027
"289498"	627.050276	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+H"	1.007276
"686659"	940.071776	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+H"	1.007276
"1356081"	314.028776	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H"	1.007276
"140273"	314.028776	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+2H"	2.014552
"579833"	470.539526	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+2H"	2.014552
"1050820"	157.518026	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2H"	2.014552
"213981"	209.688276	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+3H"	3.021828
"646981"	314.028776	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+3H"	3.021828
"1168389"	105.347776	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+3H"	3.021828
"439909"	644.076823	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+NH4"	18.033823
"799225"	957.098323	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+NH4"	18.033823
"1691182"	331.055323	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+NH4"	18.033823
"336177"	322.5420495	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+H+NH4"	19.041099
"724222"	479.0527995	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+H+NH4"	19.041099
"1479138"	166.0312995	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H+NH4"	19.041099
"397821"	649.032218	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+Na"	22.989218
"758814"	962.053718	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+Na"	22.989218
"1604722"	336.010718	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Na"	22.989218
"316217"	325.019747	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+H+Na"	23.996494
"709488"	481.530497	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+H+Na"	23.996494
"1463191"	168.508997	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H+Na"	23.996494
"1053519"	112.67509	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2H+Na"	25.00377
"1259199"	346.054986	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+CH3OH+H"	33.033486
"382154"	665.006158	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+K"	38.963158
"740235"	978.027658	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+K"	38.963158
"1541921"	351.984658	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+K"	38.963158
"299827"	333.006717	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+H+K"	39.970434
"692981"	489.517467	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+H+K"	39.970434
"1448629"	176.495967	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H+K"	39.970434
"240511"	668.076826	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+ACN+H"	42.033826
"1216501"	355.055326	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+ACN+H"	42.033826
"1198197"	178.031301	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+ACN+2H"	43.041102
"195442"	671.01416	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+2Na-H"	44.97116
"632086"	984.03566	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+2Na-H"	44.97116
"1136323"	357.99266	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2Na-H"	44.97116
"175602"	336.010718	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+2Na"	45.978436
"614793"	492.521468	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+2Na"	45.978436
"1117334"	179.499968	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2Na"	45.978436
"1399641"	120.002404	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H+2Na"	46.985712
"1430535"	360.034246	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H+HCOOH"	47.012746
"220398"	341.04374	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+3H2O+2H"	56.04448
"1512798"	374.08629	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+IsoProp+H"	61.06479
"409070"	343.997688	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+Na+K"	61.952376
"770553"	500.508438	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+Na+K"	61.952376
"1665594"	187.486938	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Na+K"	61.952376
"251705"	690.058768	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+ACN+Na"	64.015768
"1226204"	377.037268	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+ACN+Na"	64.015768
"1713545"	377.060793	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+NH4+HCOOH"	64.039293
"1182919"	127.329718	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+3Na"	68.967654
"1663878"	382.016188	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Na+HCOOH"	68.994688
"170986"	702.96204	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+2K-H"	76.91904
"609452"	1015.98354	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+2K-H"	76.91904
"1097980"	389.94054	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2K-H"	76.91904
"152968"	351.984658	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"2M+2K"	77.926316
"594590"	508.495408	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"3M+2K"	77.926316
"1082503"	195.473908	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2K"	77.926316
"1111343"	391.955092	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2K+H"	78.933592
"1348461"	392.042707	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+DMSO+H"	79.021207
"1016260"	396.081876	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2ACN+H"	83.060376
"1532198"	397.075508	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+IsoProp+Na+H"	84.054008
"1003991"	198.544576	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+2ACN+2H"	84.067652
"1599709"	397.990128	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+K+HCOOH"	84.968628
"1427558"	428.021638	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+H+CF3COOH"	115.000138
"1160035"	219.057851	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+3ACN+2H"	125.094202
"1711771"	445.048185	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+NH4+CF3COOH"	132.026685
"1635029"	450.00358	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+Na+CF3COOH"	136.98208
"1578704"	465.97752	"C17168"	"Eudistomin H"	"C15H12BrN3"	"313.0215"	"M+K+CF3COOH"	152.95602
"805789"	245.9793	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M"	0
"986978"	226.96091	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-H2O-H"	-19.01839
"77409"	162.978924	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M-3H"	-3.021828
"513689"	244.972024	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M-3H"	-3.021828
"890397"	80.985824	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-3H"	-3.021828
"12254"	244.972024	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M-2H"	-2.014552
"454735"	367.961674	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M-2H"	-2.014552
"826337"	121.982374	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-2H"	-2.014552
"85237"	490.951324	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M-H"	-1.007276
"525889"	736.930624	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M-H"	-1.007276
"900412"	244.972024	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-H"	-1.007276
"54784"	507.977871	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M-2H+NH4"	16.019271
"498719"	753.957171	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M-2H+NH4"	16.019271
"865099"	261.998571	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-2H+NH4"	16.019271
"35676"	512.933266	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M-2H+Na"	20.974666
"475236"	758.912566	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M-2H+Na"	20.974666
"849507"	266.953966	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-2H+Na"	20.974666
"1619044"	266.953966	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Na-2H"	20.974666
"95941"	262.960363	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M-H+Cl"	33.962126
"539754"	385.950013	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M-H+Cl"	33.962126
"940562"	139.970713	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-H+Cl"	33.962126
"282623"	526.928002	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+Cl"	34.969402
"674837"	772.907302	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+Cl"	34.969402
"1287599"	280.948702	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Cl"	34.969402
"30534"	528.907206	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M-2H+K"	36.948606
"470810"	774.886506	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M-2H+K"	36.948606
"847770"	282.927906	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-2H+K"	36.948606
"1570161"	282.927906	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+K-2H"	36.948606
"957432"	290.977494	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-H+HCOOH"	44.998194
"375281"	536.956801	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+HCOOH-H"	44.998201
"358071"	550.972451	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+Hac-H"	59.013851
"1508087"	304.993151	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Hac-H"	59.013851
"973844"	312.959451	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-H+NaCOOH"	66.980151
"124785"	280.948702	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+2Cl"	69.938804
"564618"	403.938352	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+2Cl"	69.938804
"1035603"	157.959052	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2Cl"	69.938804
"1256279"	324.898185	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Br"	78.918885
"1312282"	326.954172	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Cl+HCOOH"	80.974872
"1334277"	348.936129	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Cl+NaCOOH"	102.956829
"925211"	358.964886	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M-H+CF3COOH"	112.985586
"1300461"	394.941564	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Cl+CF3COOH"	148.962264
"1376800"	210.966624	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H-2H2O"	-35.012676
"1395392"	228.9766	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H-H2O"	-17.0027
"289608"	492.965876	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+H"	1.007276
"684947"	738.945176	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+H"	1.007276
"1356191"	246.986576	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H"	1.007276
"140019"	246.986576	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+2H"	2.014552
"577757"	369.976226	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+2H"	2.014552
"1050201"	123.996926	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2H"	2.014552
"214091"	164.993476	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+3H"	3.021828
"648184"	246.986576	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+3H"	3.021828
"1169592"	83.000376	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+3H"	3.021828
"435057"	509.992423	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+NH4"	18.033823
"798242"	755.971723	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+NH4"	18.033823
"1684732"	264.013123	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+NH4"	18.033823
"336287"	255.4998495	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+H+NH4"	19.041099
"725425"	378.4894995	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+H+NH4"	19.041099
"1479612"	132.5101995	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H+NH4"	19.041099
"400117"	514.947818	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+Na"	22.989218
"760017"	760.927118	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+Na"	22.989218
"1604832"	268.968518	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Na"	22.989218
"316327"	257.977547	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+H+Na"	23.996494
"709477"	380.967197	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+H+Na"	23.996494
"1464393"	134.987897	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H+Na"	23.996494
"1053750"	90.32769	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2H+Na"	25.00377
"1259674"	279.012786	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+CH3OH+H"	33.033486
"378254"	530.921758	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+K"	38.963158
"739981"	776.901058	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+K"	38.963158
"1540935"	284.942458	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+K"	38.963158
"299571"	265.964517	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+H+K"	39.970434
"691998"	388.954167	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+H+K"	39.970434
"1448739"	142.974867	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H+K"	39.970434
"239527"	533.992426	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+ACN+H"	42.033826
"1216611"	288.013126	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+ACN+H"	42.033826
"1195755"	144.510201	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+ACN+2H"	43.041102
"192636"	536.92976	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+2Na-H"	44.97116
"630738"	782.90906	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+2Na-H"	44.97116
"1136433"	290.95046	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2Na-H"	44.97116
"175712"	268.968518	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+2Na"	45.978436
"612914"	391.958168	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+2Na"	45.978436
"1116593"	145.978868	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2Na"	45.978436
"1399620"	97.655004	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H+2Na"	46.985712
"1430522"	292.992046	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H+HCOOH"	47.012746
"220183"	274.00154	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+3H2O+2H"	56.04448
"1512908"	307.04409	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+IsoProp+H"	61.06479
"408761"	276.955488	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+Na+K"	61.952376
"770301"	399.945138	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+Na+K"	61.952376
"1665856"	153.965838	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Na+K"	61.952376
"251634"	555.974368	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+ACN+Na"	64.015768
"1226841"	309.995068	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+ACN+Na"	64.015768
"1713292"	310.018593	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+NH4+HCOOH"	64.039293
"1181936"	104.982318	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+3Na"	68.967654
"1665288"	314.973988	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Na+HCOOH"	68.994688
"168904"	568.87764	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+2K-H"	76.91904
"609559"	814.85694	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+2K-H"	76.91904
"1098817"	322.89834	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2K-H"	76.91904
"154170"	284.942458	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"2M+2K"	77.926316
"592632"	407.932108	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"3M+2K"	77.926316
"1080427"	161.952808	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2K"	77.926316
"1110360"	324.912892	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2K+H"	78.933592
"1347838"	325.000507	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+DMSO+H"	79.021207
"1019651"	329.039676	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2ACN+H"	83.060376
"1531215"	330.033308	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+IsoProp+Na+H"	84.054008
"1005319"	165.023476	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+2ACN+2H"	84.067652
"1599819"	330.947928	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+K+HCOOH"	84.968628
"1427668"	360.979438	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+H+CF3COOH"	115.000138
"1159051"	185.536751	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+3ACN+2H"	125.094202
"1711881"	378.005985	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+NH4+CF3COOH"	132.026685
"1635504"	382.96138	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+Na+CF3COOH"	136.98208
"1578814"	398.93532	"C17169"	"Eudistomin N"	"C11H7BrN2"	"245.9793"	"M+K+CF3COOH"	152.95602
"805899"	308.0412	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M"	0
"982714"	289.02281	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-H2O-H"	-19.01839
"74239"	204.353524	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M-3H"	-3.021828
"513799"	307.033924	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M-3H"	-3.021828
"881394"	101.673124	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-3H"	-3.021828
"7990"	307.033924	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M-2H"	-2.014552
"454721"	461.054524	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M-2H"	-2.014552
"823167"	153.013324	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-2H"	-2.014552
"82431"	615.075124	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M-H"	-1.007276
"525999"	923.116324	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M-H"	-1.007276
"897606"	307.033924	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-H"	-1.007276
"49427"	632.101671	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M-2H+NH4"	16.019271
"493362"	940.142871	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M-2H+NH4"	16.019271
"864406"	324.060471	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-2H+NH4"	16.019271
"32869"	637.057066	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M-2H+Na"	20.974666
"475346"	945.098266	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M-2H+Na"	20.974666
"849131"	329.015866	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-2H+Na"	20.974666
"1618488"	329.015866	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Na-2H"	20.974666
"94957"	325.022263	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M-H+Cl"	33.962126
"536584"	479.042863	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M-H+Cl"	33.962126
"935567"	171.001663	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-H+Cl"	33.962126
"282771"	651.051802	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+Cl"	34.969402
"675511"	959.093002	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+Cl"	34.969402
"1287461"	343.010602	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Cl"	34.969402
"30875"	653.031006	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M-2H+K"	36.948606
"468726"	961.072206	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M-2H+K"	36.948606
"843248"	344.989806	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-2H+K"	36.948606
"1568924"	344.989806	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+K-2H"	36.948606
"954622"	353.039394	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-H+HCOOH"	44.998194
"375023"	661.080601	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+HCOOH-H"	44.998201
"357454"	675.096251	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+Hac-H"	59.013851
"1507868"	367.055051	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Hac-H"	59.013851
"968361"	375.021351	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-H+NaCOOH"	66.980151
"122736"	343.010602	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+2Cl"	69.938804
"558285"	497.031202	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+2Cl"	69.938804
"1032918"	188.990002	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2Cl"	69.938804
"1249943"	386.960085	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Br"	78.918885
"1309112"	389.016072	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Cl+HCOOH"	80.974872
"1329889"	410.998029	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Cl+NaCOOH"	102.956829
"922040"	421.026786	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M-H+CF3COOH"	112.985586
"1298748"	457.003464	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Cl+CF3COOH"	148.962264
"1373630"	273.028524	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H-2H2O"	-35.012676
"1392586"	291.0385	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H-H2O"	-17.0027
"288625"	617.089676	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+H"	1.007276
"683600"	925.130876	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+H"	1.007276
"1356301"	309.048476	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H"	1.007276
"137213"	309.048476	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+2H"	2.014552
"575680"	463.069076	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+2H"	2.014552
"1045208"	155.027876	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2H"	2.014552
"210921"	206.368076	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+3H"	3.021828
"645256"	309.048476	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+3H"	3.021828
"1164236"	103.687676	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+3H"	3.021828
"436261"	634.116223	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+NH4"	18.033823
"796166"	942.157423	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+NH4"	18.033823
"1685206"	326.075023	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+NH4"	18.033823
"339677"	317.5617495	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+H+NH4"	19.041099
"722886"	471.5823495	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+H+NH4"	19.041099
"1478629"	163.5411495	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H+NH4"	19.041099
"399134"	639.071618	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+Na"	22.989218
"756848"	947.112818	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+Na"	22.989218
"1603605"	331.030418	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Na"	22.989218
"314276"	320.039447	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+H+Na"	23.996494
"707179"	474.060047	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+H+Na"	23.996494
"1461372"	166.018847	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H+Na"	23.996494
"1052780"	111.01499	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2H+Na"	25.00377
"1259054"	341.074686	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+CH3OH+H"	33.033486
"377634"	655.045558	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+K"	38.963158
"738527"	963.086758	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+K"	38.963158
"1539946"	347.004358	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+K"	38.963158
"298625"	328.026417	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+H+K"	39.970434
"691536"	482.047017	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+H+K"	39.970434
"1447755"	174.005817	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H+K"	39.970434
"239637"	658.116226	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+ACN+H"	42.033826
"1214534"	350.075026	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+ACN+H"	42.033826
"1196229"	175.541151	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+ACN+2H"	43.041102
"190923"	661.05356	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+2Na-H"	44.97116
"630848"	969.09476	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+2Na-H"	44.97116
"1136543"	353.01236	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2Na-H"	44.97116
"173511"	331.030418	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+2Na"	45.978436
"613102"	485.051018	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+2Na"	45.978436
"1116460"	177.009818	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2Na"	45.978436
"1399042"	118.342304	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H+2Na"	46.985712
"1430994"	355.053946	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H+HCOOH"	47.012746
"220373"	336.06344	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+3H2O+2H"	56.04448
"1510832"	369.10599	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+IsoProp+H"	61.06479
"408766"	339.017388	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+Na+K"	61.952376
"770087"	493.037988	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+Na+K"	61.952376
"1666377"	184.996788	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Na+K"	61.952376
"251601"	680.098168	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+ACN+Na"	64.015768
"1226466"	372.056968	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+ACN+Na"	64.015768
"1714132"	372.080493	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+NH4+HCOOH"	64.039293
"1180588"	125.669618	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+3Na"	68.967654
"1663246"	377.035888	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Na+HCOOH"	68.994688
"164641"	693.00144	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+2K-H"	76.91904
"604200"	1001.04264	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+2K-H"	76.91904
"1094183"	384.96024	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2K-H"	76.91904
"155251"	347.004358	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"2M+2K"	77.926316
"592742"	501.024958	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"3M+2K"	77.926316
"1081630"	192.983758	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2K"	77.926316
"1110466"	386.974792	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2K+H"	78.933592
"1347948"	387.062407	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+DMSO+H"	79.021207
"1020492"	391.101576	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2ACN+H"	83.060376
"1536791"	392.095208	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+IsoProp+Na+H"	84.054008
"1001052"	196.054426	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+2ACN+2H"	84.067652
"1595555"	393.009828	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+K+HCOOH"	84.968628
"1426684"	423.041338	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+H+CF3COOH"	115.000138
"1159161"	216.567701	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+3ACN+2H"	125.094202
"1711991"	440.067885	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+NH4+CF3COOH"	132.026685
"1635614"	445.02328	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+Na+CF3COOH"	136.98208
"1578924"	460.99722	"C17177"	"Aplysinal"	"C15H17BrO2"	"308.0412"	"M+K+CF3COOH"	152.95602
"806009"	300.1089	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M"	0
"986104"	281.09051	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-H2O-H"	-19.01839
"74349"	199.065324	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M-3H"	-3.021828
"512815"	299.101624	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M-3H"	-3.021828
"880411"	99.029024	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-3H"	-3.021828
"7007"	299.101624	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M-2H"	-2.014552
"452036"	449.156074	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M-2H"	-2.014552
"819997"	149.047174	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-2H"	-2.014552
"85457"	599.210524	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M-H"	-1.007276
"523922"	899.319424	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M-H"	-1.007276
"896256"	299.101624	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-H"	-1.007276
"47217"	616.237071	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M-2H+NH4"	16.019271
"490192"	916.345971	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M-2H+NH4"	16.019271
"864224"	316.128171	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-2H+NH4"	16.019271
"32858"	621.192466	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M-2H+Na"	20.974666
"475456"	921.301366	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M-2H+Na"	20.974666
"849124"	321.083566	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-2H+Na"	20.974666
"1618440"	321.083566	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Na-2H"	20.974666
"94443"	317.089963	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M-H+Cl"	33.962126
"536694"	467.144413	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M-H+Cl"	33.962126
"935677"	167.035513	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-H+Cl"	33.962126
"282603"	635.187202	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+Cl"	34.969402
"675540"	935.296102	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+Cl"	34.969402
"1286719"	335.078302	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Cl"	34.969402
"30693"	637.166406	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M-2H+K"	36.948606
"470539"	937.275306	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M-2H+K"	36.948606
"843358"	337.057506	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-2H+K"	36.948606
"1570616"	337.057506	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+K-2H"	36.948606
"954732"	345.107094	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-H+HCOOH"	44.998194
"371853"	645.216001	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+HCOOH-H"	44.998201
"358292"	659.231651	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+Hac-H"	59.013851
"1507127"	359.122751	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Hac-H"	59.013851
"968836"	367.089051	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-H+NaCOOH"	66.980151
"121754"	335.078302	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+2Cl"	69.938804
"558395"	485.132752	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+2Cl"	69.938804
"1030476"	185.023852	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2Cl"	69.938804
"1251146"	379.027785	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Br"	78.918885
"1307035"	381.083772	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Cl+HCOOH"	80.974872
"1327811"	403.065729	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Cl+NaCOOH"	102.956829
"922150"	413.094486	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M-H+CF3COOH"	112.985586
"1297765"	449.071164	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Cl+CF3COOH"	148.962264
"1377020"	265.096224	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H-2H2O"	-35.012676
"1393424"	283.1062	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H-H2O"	-17.0027
"289828"	601.225076	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+H"	1.007276
"684074"	901.333976	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+H"	1.007276
"1356411"	301.116176	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H"	1.007276
"135136"	301.116176	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+2H"	2.014552
"572874"	451.170626	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+2H"	2.014552
"1045318"	151.061726	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2H"	2.014552
"207751"	201.079876	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+3H"	3.021828
"644877"	301.116176	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+3H"	3.021828
"1163127"	101.043576	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+3H"	3.021828
"435278"	618.251623	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+NH4"	18.033823
"794089"	918.360523	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+NH4"	18.033823
"1683857"	318.142723	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+NH4"	18.033823
"339787"	309.6294495	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+H+NH4"	19.041099
"723093"	459.6838995	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+H+NH4"	19.041099
"1478008"	159.5749995	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H+NH4"	19.041099
"397057"	623.207018	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+Na"	22.989218
"756228"	923.315918	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+Na"	22.989218
"1604444"	323.098118	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Na"	22.989218
"316183"	312.107147	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+H+Na"	23.996494
"707629"	462.161597	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+H+Na"	23.996494
"1462293"	162.052697	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H+Na"	23.996494
"1053274"	108.37089	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2H+Na"	25.00377
"1260257"	333.142386	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+CH3OH+H"	33.033486
"377621"	639.180958	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+K"	38.963158
"738816"	939.289858	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+K"	38.963158
"1539907"	339.072058	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+K"	38.963158
"298657"	320.094117	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+H+K"	39.970434
"693674"	470.148567	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+H+K"	39.970434
"1448227"	170.039667	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H+K"	39.970434
"236464"	642.251626	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+ACN+H"	42.033826
"1211361"	342.142726	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+ACN+H"	42.033826
"1196340"	171.575001	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+ACN+2H"	43.041102
"190305"	645.18896	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+2Na-H"	44.97116
"629866"	945.29786	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+2Na-H"	44.97116
"1136653"	345.08006	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2Na-H"	44.97116
"173744"	323.098118	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+2Na"	45.978436
"613297"	473.152568	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+2Na"	45.978436
"1116570"	173.043668	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2Na"	45.978436
"1398827"	115.698204	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H+2Na"	46.985712
"1430982"	347.121646	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H+HCOOH"	47.012746
"220478"	328.13114	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+3H2O+2H"	56.04448
"1509481"	361.17369	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+IsoProp+H"	61.06479
"408644"	331.085088	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+Na+K"	61.952376
"770277"	481.139538	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+Na+K"	61.952376
"1665614"	181.030638	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Na+K"	61.952376
"251424"	664.233568	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+ACN+Na"	64.015768
"1226212"	364.124668	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+ACN+Na"	64.015768
"1713879"	364.148193	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+NH4+HCOOH"	64.039293
"1180698"	123.025518	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+3Na"	68.967654
"1656796"	369.103588	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Na+HCOOH"	68.994688
"164751"	677.13684	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+2K-H"	76.91904
"603217"	977.24574	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+2K-H"	76.91904
"1092103"	377.02794	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2K-H"	76.91904
"155240"	339.072058	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"2M+2K"	77.926316
"592857"	489.126508	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"3M+2K"	77.926316
"1078460"	189.017608	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2K"	77.926316
"1109483"	379.042492	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2K+H"	78.933592
"1348058"	379.130107	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+DMSO+H"	79.021207
"1020599"	383.169276	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2ACN+H"	83.060376
"1535808"	384.162908	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+IsoProp+Na+H"	84.054008
"998975"	192.088276	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+2ACN+2H"	84.067652
"1595665"	385.077528	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+K+HCOOH"	84.968628
"1426794"	415.109038	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+H+CF3COOH"	115.000138
"1160364"	212.601551	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+3ACN+2H"	125.094202
"1708821"	432.135585	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+NH4+CF3COOH"	132.026685
"1635360"	437.09098	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+Na+CF3COOH"	136.98208
"1575754"	453.06492	"C17179"	"beta-Snyderol"	"C15H25BrO"	"300.1089"	"M+K+CF3COOH"	152.95602
"806119"	409.9648	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M"	0
"985121"	390.94641	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-H2O-H"	-19.01839
"73365"	272.302590666667	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M-3H"	-3.021828
"514019"	408.957524	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M-3H"	-3.021828
"887447"	135.647657333333	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-3H"	-3.021828
"4930"	408.957524	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M-2H"	-2.014552
"451782"	613.939924	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M-2H"	-2.014552
"826666"	203.975124	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-2H"	-2.014552
"85566"	818.922324	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M-H"	-1.007276
"522939"	1228.887124	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M-H"	-1.007276
"896245"	408.957524	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-H"	-1.007276
"49646"	835.948871	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M-2H+NH4"	16.019271
"488479"	1245.913671	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M-2H+NH4"	16.019271
"874663"	425.984071	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-2H+NH4"	16.019271
"33819"	840.904266	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M-2H+Na"	20.974666
"476660"	1250.869066	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M-2H+Na"	20.974666
"851180"	430.939466	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-2H+Na"	20.974666
"1618764"	430.939466	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Na-2H"	20.974666
"94335"	426.945863	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M-H+Cl"	33.962126
"540085"	631.928263	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M-H+Cl"	33.962126
"935787"	221.963463	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-H+Cl"	33.962126
"282336"	854.899002	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+Cl"	34.969402
"673578"	1264.863802	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+Cl"	34.969402
"1287809"	444.934202	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Cl"	34.969402
"30238"	856.878206	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M-2H+K"	36.948606
"470529"	1266.843006	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M-2H+K"	36.948606
"846749"	446.913406	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-2H+K"	36.948606
"1570969"	446.913406	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+K-2H"	36.948606
"957027"	454.962994	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-H+HCOOH"	44.998194
"370868"	864.927801	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+HCOOH-H"	44.998201
"358765"	878.943451	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+Hac-H"	59.013851
"1505050"	468.978651	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Hac-H"	59.013851
"971497"	476.944951	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-H+NaCOOH"	66.980151
"120406"	444.934202	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+2Cl"	69.938804
"557412"	649.916602	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+2Cl"	69.938804
"1033138"	239.951802	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2Cl"	69.938804
"1253443"	488.883685	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Br"	78.918885
"1308239"	490.939672	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Cl+HCOOH"	80.974872
"1327921"	512.921629	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Cl+NaCOOH"	102.956829
"922260"	522.950386	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M-H+CF3COOH"	112.985586
"1297875"	558.927064	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Cl+CF3COOH"	148.962264
"1377130"	374.952124	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H-2H2O"	-35.012676
"1388066"	392.9621	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H-H2O"	-17.0027
"286656"	820.936876	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+H"	1.007276
"680173"	1230.901676	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+H"	1.007276
"1355428"	410.972076	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H"	1.007276
"137433"	410.972076	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+2H"	2.014552
"568973"	615.954476	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+2H"	2.014552
"1044333"	205.989676	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2H"	2.014552
"205915"	274.317142666667	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+3H"	3.021828
"644541"	410.972076	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+3H"	3.021828
"1166643"	137.662209333333	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+3H"	3.021828
"436480"	837.963423	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+NH4"	18.033823
"795291"	1247.928223	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+NH4"	18.033823
"1685426"	427.998623	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+NH4"	18.033823
"339897"	419.4853495	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+H+NH4"	19.041099
"726851"	624.4677495	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+H+NH4"	19.041099
"1480671"	214.5029495	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H+NH4"	19.041099
"399355"	842.918818	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+Na"	22.989218
"757068"	1252.883618	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+Na"	22.989218
"1612816"	432.954018	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Na"	22.989218
"327227"	421.963047	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+H+Na"	23.996494
"709444"	626.945447	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+H+Na"	23.996494
"1461804"	216.980647	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H+Na"	23.996494
"1053105"	144.989523333333	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2H+Na"	25.00377
"1261832"	442.998286	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+CH3OH+H"	33.033486
"378949"	858.892758	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+K"	38.963158
"739134"	1268.857558	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+K"	38.963158
"1540173"	448.927958	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+K"	38.963158
"298806"	429.950017	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+H+K"	39.970434
"692448"	634.932417	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+H+K"	39.970434
"1450162"	224.967617	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H+K"	39.970434
"240221"	861.963426	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+ACN+H"	42.033826
"1214753"	451.998626	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+ACN+H"	42.033826
"1196814"	226.502951	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+ACN+2H"	43.041102
"191508"	864.90076	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+2Na-H"	44.97116
"635444"	1274.86556	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+2Na-H"	44.97116
"1136763"	454.93596	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2Na-H"	44.97116
"175679"	432.954018	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+2Na"	45.978436
"613416"	637.936418	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+2Na"	45.978436
"1116680"	227.971618	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2Na"	45.978436
"1398622"	152.316837333333	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H+2Na"	46.985712
"1429976"	456.977546	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H+HCOOH"	47.012746
"220910"	437.98704	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+3H2O+2H"	56.04448
"1509228"	471.02959	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+IsoProp+H"	61.06479
"408552"	440.940988	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+Na+K"	61.952376
"770229"	645.923388	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+Na+K"	61.952376
"1666114"	235.958588	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Na+K"	61.952376
"252149"	883.945368	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+ACN+Na"	64.015768
"1225794"	473.980568	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+ACN+Na"	64.015768
"1715447"	474.004093	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+NH4+HCOOH"	64.039293
"1179470"	159.644151333333	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+3Na"	68.967654
"1660186"	478.959488	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Na+HCOOH"	68.994688
"164861"	896.84864	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+2K-H"	76.91904
"606608"	1306.81344	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+2K-H"	76.91904
"1094401"	486.88384	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2K-H"	76.91904
"150125"	448.927958	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"2M+2K"	77.926316
"591874"	653.910358	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"3M+2K"	77.926316
"1077476"	243.945558	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2K"	77.926316
"1112873"	488.898392	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2K+H"	78.933592
"1345981"	488.986007	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+DMSO+H"	79.021207
"1015608"	493.025176	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2ACN+H"	83.060376
"1531544"	494.018808	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+IsoProp+Na+H"	84.054008
"999085"	247.016226	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+2ACN+2H"	84.067652
"1599057"	494.933428	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+K+HCOOH"	84.968628
"1426904"	524.964938	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+H+CF3COOH"	115.000138
"1158287"	267.529501	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+3ACN+2H"	125.094202
"1708931"	541.991485	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+NH4+CF3COOH"	132.026685
"1634740"	546.94688	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+Na+CF3COOH"	136.98208
"1571488"	562.92082	"C17181"	"Kylinone"	"C15H21Br2ClO"	"409.9648"	"M+K+CF3COOH"	152.95602
"806229"	332.0543	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M"	0
"988146"	313.03591	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-H2O-H"	-19.01839
"71288"	220.362257333333	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M-3H"	-3.021828
"511941"	331.047024	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M-3H"	-3.021828
"886463"	109.677490666667	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-3H"	-3.021828
"2853"	331.047024	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M-2H"	-2.014552
"445696"	497.074174	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M-2H"	-2.014552
"820215"	165.019874	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-2H"	-2.014552
"80082"	663.101324	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M-H"	-1.007276
"518905"	995.155624	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M-H"	-1.007276
"896709"	331.047024	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-H"	-1.007276
"47564"	680.127871	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M-2H+NH4"	16.019271
"487971"	1012.182171	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M-2H+NH4"	16.019271
"864807"	348.073571	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-2H+NH4"	16.019271
"33198"	685.083266	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M-2H+Na"	20.974666
"473610"	1017.137566	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M-2H+Na"	20.974666
"849464"	353.028966	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-2H+Na"	20.974666
"1619603"	353.028966	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Na-2H"	20.974666
"97351"	349.035363	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M-H+Cl"	33.962126
"538007"	515.062513	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M-H+Cl"	33.962126
"932617"	183.008213	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-H+Cl"	33.962126
"282245"	699.078002	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+Cl"	34.969402
"674904"	1031.132302	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+Cl"	34.969402
"1286211"	367.023702	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Cl"	34.969402
"30474"	701.057206	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M-2H+K"	36.948606
"470639"	1033.111506	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M-2H+K"	36.948606
"842485"	369.002906	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-2H+K"	36.948606
"1568890"	369.002906	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+K-2H"	36.948606
"956045"	377.052494	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-H+HCOOH"	44.998194
"370616"	709.106801	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+HCOOH-H"	44.998201
"354499"	723.122451	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+Hac-H"	59.013851
"1501871"	391.068151	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Hac-H"	59.013851
"971969"	399.034451	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-H+NaCOOH"	66.980151
"120877"	367.023702	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+2Cl"	69.938804
"558615"	533.050852	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+2Cl"	69.938804
"1030695"	200.996552	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2Cl"	69.938804
"1255742"	410.973185	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Br"	78.918885
"1311629"	413.029172	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Cl+HCOOH"	80.974872
"1331311"	435.011129	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Cl+NaCOOH"	102.956829
"923463"	445.039886	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M-H+CF3COOH"	112.985586
"1294702"	481.016564	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Cl+CF3COOH"	148.962264
"1377240"	297.041624	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H-2H2O"	-35.012676
"1389269"	315.0516	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H-H2O"	-17.0027
"291138"	665.115876	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+H"	1.007276
"682469"	997.170176	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+H"	1.007276
"1359910"	333.061576	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H"	1.007276
"137543"	333.061576	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+2H"	2.014552
"569083"	499.088726	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+2H"	2.014552
"1041161"	167.034426	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2H"	2.014552
"206877"	222.376809333333	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+3H"	3.021828
"649717"	333.061576	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+3H"	3.021828
"1164687"	111.692042666667	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+3H"	3.021828
"434404"	682.142423	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+NH4"	18.033823
"794309"	1014.196723	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+NH4"	18.033823
"1686265"	350.088123	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+NH4"	18.033823
"334905"	341.5748495	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+H+NH4"	19.041099
"726232"	507.6019995	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+H+NH4"	19.041099
"1486249"	175.5476995	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H+NH4"	19.041099
"399465"	687.097818	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+Na"	22.989218
"759729"	1019.152118	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+Na"	22.989218
"1607460"	355.043518	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Na"	22.989218
"324057"	344.052547	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+H+Na"	23.996494
"709917"	510.079697	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+H+Na"	23.996494
"1463374"	178.025397	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H+Na"	23.996494
"1054554"	119.019356666667	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2H+Na"	25.00377
"1266314"	365.087786	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+CH3OH+H"	33.033486
"380518"	703.071758	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+K"	38.963158
"740422"	1035.126058	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+K"	38.963158
"1542474"	371.017458	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+K"	38.963158
"299522"	352.039517	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+H+K"	39.970434
"694261"	518.066667	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+H+K"	39.970434
"1451365"	186.012367	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H+K"	39.970434
"239967"	706.142426	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+ACN+H"	42.033826
"1212675"	374.088126	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+ACN+H"	42.033826
"1197653"	187.547701	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+ACN+2H"	43.041102
"190525"	709.07976	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+2Na-H"	44.97116
"631179"	1041.13406	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+2Na-H"	44.97116
"1133593"	377.02546	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2Na-H"	44.97116
"174085"	355.043518	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+2Na"	45.978436
"614132"	521.070668	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+2Na"	45.978436
"1117032"	189.016368	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2Na"	45.978436
"1399454"	126.346670666667	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H+2Na"	46.985712
"1430478"	379.067046	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H+HCOOH"	47.012746
"220904"	360.07654	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+3H2O+2H"	56.04448
"1510068"	393.11909	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+IsoProp+H"	61.06479
"409143"	363.030488	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+Na+K"	61.952376
"770746"	529.057638	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+Na+K"	61.952376
"1666225"	197.003338	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Na+K"	61.952376
"253597"	728.124368	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+ACN+Na"	64.015768
"1225823"	396.070068	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+ACN+Na"	64.015768
"1716651"	396.093593	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+NH4+HCOOH"	64.039293
"1178608"	133.673984666667	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+3Na"	68.967654
"1657014"	401.048988	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Na+HCOOH"	68.994688
"166064"	741.02764	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+2K-H"	76.91904
"605623"	1073.08194	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+2K-H"	76.91904
"1089041"	408.97334	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2K-H"	76.91904
"150234"	371.017458	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"2M+2K"	77.926316
"593804"	537.044608	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"3M+2K"	77.926316
"1073211"	204.990308	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2K"	77.926316
"1108608"	410.987892	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2K+H"	78.933592
"1344997"	411.075507	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+DMSO+H"	79.021207
"1016810"	415.114676	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2ACN+H"	83.060376
"1531655"	416.108308	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+IsoProp+Na+H"	84.054008
"1000288"	208.060976	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+2ACN+2H"	84.067652
"1594793"	417.022928	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+K+HCOOH"	84.968628
"1424827"	447.054438	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+H+CF3COOH"	115.000138
"1158397"	228.574251	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+3ACN+2H"	125.094202
"1709041"	464.080985	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+NH4+CF3COOH"	132.026685
"1635579"	469.03638	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+Na+CF3COOH"	136.98208
"1572327"	485.01032	"C17184"	"Rhodolaureol"	"C15H22BrClO"	"332.0543"	"M+K+CF3COOH"	152.95602
"809619"	336.0856	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M"	0
"988987"	317.06721	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-H2O-H"	-19.01839
"75773"	223.049790666667	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M-3H"	-3.021828
"516424"	335.078324	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M-3H"	-3.021828
"892039"	111.021257333333	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-3H"	-3.021828
"7337"	335.078324	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M-2H"	-2.014552
"440580"	503.121124	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M-2H"	-2.014552
"820325"	167.035524	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-2H"	-2.014552
"85784"	671.163924	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M-H"	-1.007276
"519263"	1007.249524	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M-H"	-1.007276
"896457"	335.078324	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-H"	-1.007276
"49864"	688.190471	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M-2H+NH4"	16.019271
"487964"	1024.276071	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M-2H+NH4"	16.019271
"865284"	352.104871	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-2H+NH4"	16.019271
"33308"	693.145866	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M-2H+Na"	20.974666
"474692"	1029.231466	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M-2H+Na"	20.974666
"853584"	357.060266	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-2H+Na"	20.974666
"1621052"	357.060266	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Na-2H"	20.974666
"97460"	353.066663	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M-H+Cl"	33.962126
"539209"	521.109463	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M-H+Cl"	33.962126
"933820"	185.023863	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-H+Cl"	33.962126
"281618"	707.140602	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+Cl"	34.969402
"675500"	1043.226202	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+Cl"	34.969402
"1287049"	371.055002	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Cl"	34.969402
"30698"	709.119806	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M-2H+K"	36.948606
"471115"	1045.205406	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M-2H+K"	36.948606
"844782"	373.034206	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-2H+K"	36.948606
"1570824"	373.034206	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+K-2H"	36.948606
"955062"	381.083794	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-H+HCOOH"	44.998194
"371819"	717.169401	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+HCOOH-H"	44.998201
"353515"	731.185051	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+Hac-H"	59.013851
"1502345"	395.099451	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Hac-H"	59.013851
"972440"	403.065751	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-H+NaCOOH"	66.980151
"121717"	371.055002	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+2Cl"	69.938804
"558725"	539.097802	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+2Cl"	69.938804
"1031901"	203.012202	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2Cl"	69.938804
"1253663"	415.004485	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Br"	78.918885
"1313926"	417.060472	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Cl+HCOOH"	80.974872
"1328142"	439.042429	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Cl+NaCOOH"	102.956829
"922482"	449.071186	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M-H+CF3COOH"	112.985586
"1298099"	485.047864	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Cl+CF3COOH"	148.962264
"1377352"	301.072924	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H-2H2O"	-35.012676
"1387196"	319.0829	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H-H2O"	-17.0027
"289065"	673.178476	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+H"	1.007276
"684768"	1009.264076	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+H"	1.007276
"1358927"	337.092876	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H"	1.007276
"132913"	337.092876	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+2H"	2.014552
"570287"	505.135676	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+2H"	2.014552
"1040178"	169.050076	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2H"	2.014552
"208080"	225.064342666667	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+3H"	3.021828
"649827"	337.092876	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+3H"	3.021828
"1166863"	113.035809333333	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+3H"	3.021828
"435607"	690.205023	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+NH4"	18.033823
"791137"	1026.290623	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+NH4"	18.033823
"1684552"	354.119423	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+NH4"	18.033823
"331005"	345.6061495	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+H+NH4"	19.041099
"724521"	513.6489495	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+H+NH4"	19.041099
"1481987"	177.5633495	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H+NH4"	19.041099
"395564"	695.160418	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+Na"	22.989218
"757288"	1031.246018	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+Na"	22.989218
"1606114"	359.074818	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Na"	22.989218
"321980"	348.083847	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+H+Na"	23.996494
"711121"	516.126647	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+H+Na"	23.996494
"1464943"	180.041047	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H+Na"	23.996494
"1055636"	120.363123333333	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2H+Na"	25.00377
"1263147"	369.119086	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+CH3OH+H"	33.033486
"383909"	711.134358	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+K"	38.963158
"741989"	1047.219958	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+K"	38.963158
"1544772"	375.048758	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+K"	38.963158
"300855"	356.070817	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+H+K"	39.970434
"692909"	524.113617	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+H+K"	39.970434
"1445997"	188.028017	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H+K"	39.970434
"239344"	714.205026	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+ACN+H"	42.033826
"1217160"	378.119426	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+ACN+H"	42.033826
"1198858"	189.563351	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+ACN+2H"	43.041102
"192823"	717.14236	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+2Na-H"	44.97116
"635666"	1053.22796	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+2Na-H"	44.97116
"1134067"	381.05676	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2Na-H"	44.97116
"173588"	359.074818	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+2Na"	45.978436
"622022"	527.117618	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+2Na"	45.978436
"1120060"	191.032018	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2Na"	45.978436
"1400542"	127.690437333333	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H+2Na"	46.985712
"1430714"	383.098346	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H+HCOOH"	47.012746
"222839"	364.10784	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+3H2O+2H"	56.04448
"1510299"	397.15039	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+IsoProp+H"	61.06479
"410960"	367.061788	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+Na+K"	61.952376
"772316"	535.104588	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+Na+K"	61.952376
"1667794"	199.018988	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Na+K"	61.952376
"257716"	736.186968	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+ACN+Na"	64.015768
"1228970"	400.101368	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+ACN+Na"	64.015768
"1718582"	400.124893	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+NH4+HCOOH"	64.039293
"1180662"	135.017751333333	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+3Na"	68.967654
"1657124"	405.080288	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Na+HCOOH"	68.994688
"166174"	749.09024	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+2K-H"	76.91904
"604640"	1085.17584	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+2K-H"	76.91904
"1089151"	413.00464	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2K-H"	76.91904
"149251"	375.048758	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"2M+2K"	77.926316
"587718"	543.091558	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"3M+2K"	77.926316
"1077697"	207.005958	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2K"	77.926316
"1110903"	415.019192	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2K+H"	78.933592
"1344012"	415.106807	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+DMSO+H"	79.021207
"1011447"	419.145976	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2ACN+H"	83.060376
"1531765"	420.139608	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+IsoProp+Na+H"	84.054008
"999305"	210.076626	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+2ACN+2H"	84.067652
"1592716"	421.054228	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+K+HCOOH"	84.968628
"1422749"	451.085738	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+H+CF3COOH"	115.000138
"1159601"	230.589901	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+3ACN+2H"	125.094202
"1712069"	468.112285	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+NH4+CF3COOH"	132.026685
"1634961"	473.06768	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+Na+CF3COOH"	136.98208
"1571709"	489.04162	"C17193"	"Heterocladol"	"C15H26BrClO"	"336.0856"	"M+K+CF3COOH"	152.95602
"806450"	176.095	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M"	0
"983263"	157.07661	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-H2O-H"	-19.01839
"72597"	116.389390666667	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M-3H"	-3.021828
"514349"	175.087724	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M-3H"	-3.021828
"882311"	57.6910573333333	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-3H"	-3.021828
"5259"	175.087724	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M-2H"	-2.014552
"441538"	263.135224	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M-2H"	-2.014552
"818001"	87.040224	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-2H"	-2.014552
"80422"	351.182724	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M-H"	-1.007276
"522172"	527.277724	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M-H"	-1.007276
"901068"	175.087724	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-H"	-1.007276
"51067"	368.209271	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M-2H+NH4"	16.019271
"489533"	544.304271	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M-2H+NH4"	16.019271
"867336"	192.114271	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-2H+NH4"	16.019271
"33173"	373.164666	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M-2H+Na"	20.974666
"476989"	549.259666	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M-2H+Na"	20.974666
"853695"	197.069666	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-2H+Na"	20.974666
"1620311"	197.069666	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Na-2H"	20.974666
"96111"	193.076063	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M-H+Cl"	33.962126
"538223"	281.123563	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M-H+Cl"	33.962126
"932837"	105.028563	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-H+Cl"	33.962126
"277592"	387.159402	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+Cl"	34.969402
"672566"	563.254402	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+Cl"	34.969402
"1282782"	211.064402	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Cl"	34.969402
"31389"	389.138606	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M-2H+K"	36.948606
"467086"	565.233606	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M-2H+K"	36.948606
"845985"	213.043606	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-2H+K"	36.948606
"1570776"	213.043606	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+K-2H"	36.948606
"957643"	221.093194	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-H+HCOOH"	44.998194
"376302"	397.188201	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+HCOOH-H"	44.998201
"357269"	411.203851	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+Hac-H"	59.013851
"1501726"	235.108851	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Hac-H"	59.013851
"970363"	243.075151	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-H+NaCOOH"	66.980151
"122557"	211.064402	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+2Cl"	69.938804
"562844"	299.111902	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+2Cl"	69.938804
"1034562"	123.016902	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2Cl"	69.938804
"1254138"	255.013885	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Br"	78.918885
"1315127"	257.069872	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Cl+HCOOH"	80.974872
"1334446"	279.051829	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Cl+NaCOOH"	102.956829
"925509"	289.080586	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M-H+CF3COOH"	112.985586
"1298203"	325.057264	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Cl+CF3COOH"	148.962264
"1374176"	141.082324	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H-2H2O"	-35.012676
"1391676"	159.0923	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H-H2O"	-17.0027
"284925"	353.197276	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+H"	1.007276
"681597"	529.292276	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+H"	1.007276
"1361227"	177.102276	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H"	1.007276
"133023"	177.102276	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+2H"	2.014552
"568207"	265.149776	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+2H"	2.014552
"1038949"	89.054776	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2H"	2.014552
"205998"	118.403942666667	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+3H"	3.021828
"647758"	177.102276	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+3H"	3.021828
"1171350"	59.7056093333333	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+3H"	3.021828
"429154"	370.223823	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+NH4"	18.033823
"792339"	546.318823	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+NH4"	18.033823
"1685025"	194.128823	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+NH4"	18.033823
"332210"	185.6155495	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+H+NH4"	19.041099
"728276"	273.6630495	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+H+NH4"	19.041099
"1480638"	97.5680495	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H+NH4"	19.041099
"397131"	375.179218	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+Na"	22.989218
"755939"	551.274218	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+Na"	22.989218
"1605860"	199.084218	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Na"	22.989218
"315651"	188.093247	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+H+Na"	23.996494
"718887"	276.140747	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+H+Na"	23.996494
"1472706"	100.045747	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H+Na"	23.996494
"1058296"	67.0329233333333	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2H+Na"	25.00377
"1260340"	209.128486	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+CH3OH+H"	33.033486
"381833"	391.153158	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+K"	38.963158
"742829"	567.248158	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+K"	38.963158
"1542696"	215.058158	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+K"	38.963158
"299505"	196.080217	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+H+K"	39.970434
"691684"	284.127717	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+H+K"	39.970434
"1447571"	108.032717	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H+K"	39.970434
"241280"	394.223826	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+ACN+H"	42.033826
"1216175"	218.128826	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+ACN+H"	42.033826
"1197874"	109.568051	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+ACN+2H"	43.041102
"192932"	397.16116	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+2Na-H"	44.97116
"630303"	573.25616	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+2Na-H"	44.97116
"1132838"	221.06616	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2Na-H"	44.97116
"174063"	199.084218	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+2Na"	45.978436
"615567"	287.131718	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+2Na"	45.978436
"1120169"	111.036718	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2Na"	45.978436
"1399193"	74.3602373333333	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H+2Na"	46.985712
"1432891"	223.107746	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H+HCOOH"	47.012746
"225508"	204.11724	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+3H2O+2H"	56.04448
"1512477"	237.15979	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+IsoProp+H"	61.06479
"413257"	207.071188	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+Na+K"	61.952376
"772429"	295.118688	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+Na+K"	61.952376
"1669486"	119.023688	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Na+K"	61.952376
"254545"	416.205768	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+ACN+Na"	64.015768
"1229807"	240.110768	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+ACN+Na"	64.015768
"1718704"	240.134293	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+NH4+HCOOH"	64.039293
"1182968"	81.6875513333333	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+3Na"	68.967654
"1660515"	245.089688	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Na+HCOOH"	68.994688
"169564"	429.10904	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+2K-H"	76.91904
"609124"	605.20404	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+2K-H"	76.91904
"1093636"	253.01404	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2K-H"	76.91904
"155923"	215.058158	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"2M+2K"	77.926316
"595480"	303.105658	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"3M+2K"	77.926316
"1074525"	127.010658	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2K"	77.926316
"1101542"	255.028592	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2K+H"	78.933592
"1337683"	255.116207	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+DMSO+H"	79.021207
"1011559"	259.155376	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2ACN+H"	83.060376
"1531875"	260.149008	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+IsoProp+Na+H"	84.054008
"1000510"	130.081326	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+2ACN+2H"	84.067652
"1598293"	261.063628	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+K+HCOOH"	84.968628
"1427237"	291.095138	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+H+CF3COOH"	115.000138
"1159710"	150.594601	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+3ACN+2H"	125.094202
"1701974"	308.121685	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+NH4+CF3COOH"	132.026685
"1635437"	313.07708	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+Na+CF3COOH"	136.98208
"1586037"	329.05102	"C17203"	"N-Hydroxyl-tryptamine"	"C10H12N2O"	"176.095"	"M+K+CF3COOH"	152.95602
"806560"	190.0742	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M"	0
"989328"	171.05581	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-H2O-H"	-19.01839
"72707"	125.708857333333	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M-3H"	-3.021828
"517615"	189.066924	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M-3H"	-3.021828
"884608"	62.3507906666667	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-3H"	-3.021828
"4274"	189.066924	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M-2H"	-2.014552
"442372"	284.104024	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M-2H"	-2.014552
"817423"	94.029824	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-2H"	-2.014552
"80167"	379.141124	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M-H"	-1.007276
"523376"	569.215324	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M-H"	-1.007276
"898991"	189.066924	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-H"	-1.007276
"52270"	396.167671	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M-2H+NH4"	16.019271
"490737"	586.241871	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M-2H+NH4"	16.019271
"867447"	206.093471	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-2H+NH4"	16.019271
"34253"	401.123066	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M-2H+Na"	20.974666
"480379"	591.197266	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M-2H+Na"	20.974666
"853805"	211.048866	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-2H+Na"	20.974666
"1621150"	211.048866	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Na-2H"	20.974666
"96950"	207.055263	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M-H+Cl"	33.962126
"540521"	302.092363	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M-H+Cl"	33.962126
"930759"	112.018163	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-H+Cl"	33.962126
"277702"	415.117802	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+Cl"	34.969402
"675191"	605.192002	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+Cl"	34.969402
"1286903"	225.043602	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Cl"	34.969402
"31214"	417.097006	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M-2H+K"	36.948606
"468291"	607.171206	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M-2H+K"	36.948606
"844272"	227.022806	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-2H+K"	36.948606
"1563020"	227.022806	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+K-2H"	36.948606
"953819"	235.072394	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-H+HCOOH"	44.998194
"369121"	425.146601	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+HCOOH-H"	44.998201
"355190"	439.162251	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+Hac-H"	59.013851
"1498188"	249.088051	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Hac-H"	59.013851
"967184"	257.054351	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-H+NaCOOH"	66.980151
"118643"	225.043602	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+2Cl"	69.938804
"561858"	320.080702	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+2Cl"	69.938804
"1033939"	130.006502	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2Cl"	69.938804
"1249507"	268.993085	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Br"	78.918885
"1311957"	271.049072	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Cl+HCOOH"	80.974872
"1331275"	293.031029	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Cl+NaCOOH"	102.956829
"924525"	303.059786	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M-H+CF3COOH"	112.985586
"1297220"	339.036464	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Cl+CF3COOH"	148.962264
"1371371"	155.061524	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H-2H2O"	-35.012676
"1390693"	173.0715	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H-H2O"	-17.0027
"285278"	381.155676	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+H"	1.007276
"681707"	571.229876	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+H"	1.007276
"1361337"	191.081476	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H"	1.007276
"133133"	191.081476	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+2H"	2.014552
"568317"	286.118576	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+2H"	2.014552
"1040760"	96.044376	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2H"	2.014552
"207565"	127.723409333333	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+3H"	3.021828
"648232"	191.081476	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+3H"	3.021828
"1173647"	64.3653426666667	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+3H"	3.021828
"425984"	398.182223	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+NH4"	18.033823
"790262"	588.256423	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+NH4"	18.033823
"1685135"	208.108023	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+NH4"	18.033823
"331589"	199.5947495	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+H+NH4"	19.041099
"725834"	294.6318495	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+H+NH4"	19.041099
"1478196"	104.5576495	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H+NH4"	19.041099
"395052"	403.137618	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+Na"	22.989218
"754954"	593.211818	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+Na"	22.989218
"1607063"	213.063418	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Na"	22.989218
"317463"	202.072447	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+H+Na"	23.996494
"709154"	297.109547	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+H+Na"	23.996494
"1465527"	107.035347	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H+Na"	23.996494
"1060593"	71.6926566666667	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2H+Na"	25.00377
"1260084"	223.107686	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+CH3OH+H"	33.033486
"380484"	419.111558	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+K"	38.963158
"741844"	609.185758	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+K"	38.963158
"1541711"	229.037358	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+K"	38.963158
"299373"	210.059417	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+H+K"	39.970434
"692399"	305.096517	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+H+K"	39.970434
"1447681"	115.022317	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H+K"	39.970434
"238474"	422.182226	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+ACN+H"	42.033826
"1213005"	232.108026	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+ACN+H"	42.033826
"1195067"	116.557651	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+ACN+2H"	43.041102
"189031"	425.11956	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+2Na-H"	44.97116
"629035"	615.19376	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+2Na-H"	44.97116
"1133191"	235.04536	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2Na-H"	44.97116
"178304"	213.063418	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+2Na"	45.978436
"621144"	308.100518	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+2Na"	45.978436
"1120642"	118.026318	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2Na"	45.978436
"1401979"	79.0199706666667	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H+2Na"	46.985712
"1432272"	237.086946	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H+HCOOH"	47.012746
"220197"	218.09644	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+3H2O+2H"	56.04448
"1512950"	251.13899	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+IsoProp+H"	61.06479
"412272"	221.050388	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+Na+K"	61.952376
"773267"	316.087488	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+Na+K"	61.952376
"1667409"	126.013288	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Na+K"	61.952376
"254655"	444.164168	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+ACN+Na"	64.015768
"1227730"	254.089968	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+ACN+Na"	64.015768
"1718814"	254.113493	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+NH4+HCOOH"	64.039293
"1190733"	86.3472846666667	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+3Na"	68.967654
"1660625"	259.068888	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Na+HCOOH"	68.994688
"169674"	457.06744	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+2K-H"	76.91904
"609234"	647.14164	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+2K-H"	76.91904
"1093746"	266.99324	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2K-H"	76.91904
"156641"	229.037358	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"2M+2K"	77.926316
"595590"	324.074458	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"3M+2K"	77.926316
"1074633"	134.000258	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2K"	77.926316
"1106750"	269.007792	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2K+H"	78.933592
"1338399"	269.095407	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+DMSO+H"	79.021207
"1013857"	273.134576	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2ACN+H"	83.060376
"1534173"	274.128208	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+IsoProp+Na+H"	84.054008
"999527"	137.070926	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+2ACN+2H"	84.067652
"1597310"	275.042828	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+K+HCOOH"	84.968628
"1429413"	305.074338	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+H+CF3COOH"	115.000138
"1159820"	157.584201	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+3ACN+2H"	125.094202
"1697830"	322.100885	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+NH4+CF3COOH"	132.026685
"1635547"	327.05628	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+Na+CF3COOH"	136.98208
"1586147"	343.03022	"C17204"	"Indole-3-acetaldoxime N-oxide;IAOx N-oxide"	"C10H10N2O2"	"190.0742"	"M+K+CF3COOH"	152.95602
"806670"	169.9885	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M"	0
"983484"	150.97011	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H2O-H"	-19.01839
"77193"	112.318390666667	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-3H"	-3.021828
"515663"	168.981224	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-3H"	-3.021828
"886905"	55.6555573333333	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-3H"	-3.021828
"6571"	168.981224	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H"	-2.014552
"441271"	253.975474	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H"	-2.014552
"820655"	83.986974	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H"	-2.014552
"78940"	338.969724	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H"	-1.007276
"520206"	508.958224	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H"	-1.007276
"896547"	168.981224	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H"	-1.007276
"51288"	355.996271	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+NH4"	16.019271
"488051"	525.984771	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+NH4"	16.019271
"866465"	186.007771	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+NH4"	16.019271
"34365"	360.951666	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+Na"	20.974666
"472832"	530.940166	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+Na"	20.974666
"852821"	190.963166	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+Na"	20.974666
"1623448"	190.963166	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na-2H"	20.974666
"97789"	186.969563	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-H+Cl"	33.962126
"538446"	271.963813	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-H+Cl"	33.962126
"936702"	101.975313	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+Cl"	33.962126
"282398"	374.946402	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Cl"	34.969402
"674738"	544.934902	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Cl"	34.969402
"1287384"	204.957902	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl"	34.969402
"30916"	376.925606	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M-2H+K"	36.948606
"466578"	546.914106	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M-2H+K"	36.948606
"845476"	206.937106	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-2H+K"	36.948606
"1564223"	206.937106	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K-2H"	36.948606
"953201"	214.986694	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+HCOOH"	44.998194
"367043"	384.975201	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+HCOOH-H"	44.998201
"349104"	398.990851	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Hac-H"	59.013851
"1496842"	229.002351	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Hac-H"	59.013851
"964383"	236.968651	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+NaCOOH"	66.980151
"119487"	204.957902	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Cl"	69.938804
"555768"	289.952152	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Cl"	69.938804
"1030035"	119.963652	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Cl"	69.938804
"1251804"	248.907385	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Br"	78.918885
"1317534"	250.963372	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+HCOOH"	80.974872
"1331749"	272.945329	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+NaCOOH"	102.956829
"923903"	282.974086	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M-H+CF3COOH"	112.985586
"1299516"	318.950764	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Cl+CF3COOH"	148.962264
"1372575"	134.975824	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-2H2O"	-35.012676
"1391896"	152.9858	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H-H2O"	-17.0027
"285024"	340.984276	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H"	1.007276
"679630"	510.972776	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H"	1.007276
"1361447"	170.995776	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H"	1.007276
"133243"	170.995776	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2H"	2.014552
"568791"	255.990026	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2H"	2.014552
"1038684"	86.001526	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H"	2.014552
"205856"	114.332942666667	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H"	3.021828
"646884"	170.995776	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+3H"	3.021828
"1167195"	57.6701093333333	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3H"	3.021828
"427187"	358.010823	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+NH4"	18.033823
"789279"	527.999323	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+NH4"	18.033823
"1682328"	188.022323	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4"	18.033823
"330359"	179.5090495	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+NH4"	19.041099
"723391"	264.5032995	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+NH4"	19.041099
"1477939"	94.5147995	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+NH4"	19.041099
"393704"	362.966218	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na"	22.989218
"755061"	532.954718	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na"	22.989218
"1605352"	192.977718	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na"	22.989218
"321220"	181.986747	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+Na"	23.996494
"709630"	266.980997	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+Na"	23.996494
"1464545"	96.992497	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+Na"	23.996494
"1062889"	64.9974233333333	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2H+Na"	25.00377
"1261288"	203.021986	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+CH3OH+H"	33.033486
"381323"	378.940158	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+K"	38.963158
"744142"	548.928658	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+K"	38.963158
"1542916"	208.951658	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K"	38.963158
"301182"	189.973717	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+H+K"	39.970434
"693606"	274.967967	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+H+K"	39.970434
"1451800"	104.979467	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+K"	39.970434
"239313"	382.010826	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+H"	42.033826
"1213115"	212.022326	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+H"	42.033826
"1196271"	106.514801	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+2H"	43.041102
"190235"	384.94816	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na-H"	44.97116
"633804"	554.93666	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na-H"	44.97116
"1136217"	214.95966	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na-H"	44.97116
"178414"	192.977718	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2Na"	45.978436
"623442"	277.971968	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2Na"	45.978436
"1122939"	107.983468	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2Na"	45.978436
"1403183"	72.3247373333333	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+2Na"	46.985712
"1434933"	217.001246	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+HCOOH"	47.012746
"221350"	198.01074	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+3H2O+2H"	56.04448
"1511603"	231.05329	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+H"	61.06479
"412018"	200.964688	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+Na+K"	61.952376
"777389"	285.958938	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+Na+K"	61.952376
"1670802"	115.970438	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+K"	61.952376
"256228"	403.992768	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+ACN+Na"	64.015768
"1231484"	234.004268	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+ACN+Na"	64.015768
"1717457"	234.027793	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+HCOOH"	64.039293
"1186469"	79.6520513333333	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3Na"	68.967654
"1659642"	238.983188	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+HCOOH"	68.994688
"169785"	416.89604	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K-H"	76.91904
"606064"	586.88454	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K-H"	76.91904
"1093856"	246.90754	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K-H"	76.91904
"151766"	208.951658	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"2M+2K"	77.926316
"594607"	293.945908	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"3M+2K"	77.926316
"1075836"	123.957408	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K"	77.926316
"1106862"	248.922092	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2K+H"	78.933592
"1344344"	249.009707	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+DMSO+H"	79.021207
"1016155"	253.048876	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+H"	83.060376
"1536472"	254.042508	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+IsoProp+Na+H"	84.054008
"998543"	127.028076	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+2ACN+2H"	84.067652
"1598515"	254.957128	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+HCOOH"	84.968628
"1429278"	284.988638	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+H+CF3COOH"	115.000138
"1159565"	147.541351	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+3ACN+2H"	125.094202
"1698912"	302.015185	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+NH4+CF3COOH"	132.026685
"1637478"	306.97058	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+Na+CF3COOH"	136.98208
"1576416"	322.94452	"C17205"	"(R)-2-O-Sulfolactate"	"C3H6O6S"	"169.9885"	"M+K+CF3COOH"	152.95602
"815528"	140.0222	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M"	0
"986877"	121.00381	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-H2O-H"	-19.01839
"76210"	92.3408573333333	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M-3H"	-3.021828
"518289"	139.014924	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M-3H"	-3.021828
"885922"	45.6667906666667	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-3H"	-3.021828
"8870"	139.014924	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M-2H"	-2.014552
"442960"	209.026024	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M-2H"	-2.014552
"817849"	69.003824	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-2H"	-2.014552
"82944"	279.037124	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M-H"	-1.007276
"526876"	419.059324	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M-H"	-1.007276
"898120"	139.014924	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-H"	-1.007276
"50307"	296.063671	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M-2H+NH4"	16.019271
"489866"	436.085871	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M-2H+NH4"	16.019271
"866574"	156.041471	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-2H+NH4"	16.019271
"32530"	301.019066	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M-2H+Na"	20.974666
"472005"	441.041266	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M-2H+Na"	20.974666
"851838"	160.996866	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-2H+Na"	20.974666
"1622464"	160.996866	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Na-2H"	20.974666
"96806"	157.003263	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M-H+Cl"	33.962126
"537461"	227.014363	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M-H+Cl"	33.962126
"937541"	86.992163	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-H+Cl"	33.962126
"282306"	315.013802	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+Cl"	34.969402
"674972"	455.036002	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+Cl"	34.969402
"1287860"	174.991602	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Cl"	34.969402
"28589"	316.993006	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M-2H+K"	36.948606
"465230"	457.015206	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M-2H+K"	36.948606
"845586"	176.970806	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-2H+K"	36.948606
"1566522"	176.970806	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+K-2H"	36.948606
"955863"	185.020394	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-H+HCOOH"	44.998194
"372986"	325.042601	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+HCOOH-H"	44.998201
"351038"	339.058251	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+Hac-H"	59.013851
"1503150"	199.036051	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Hac-H"	59.013851
"966316"	207.002351	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-H+NaCOOH"	66.980151
"118505"	174.991602	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+2Cl"	69.938804
"557335"	245.002702	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+2Cl"	69.938804
"1030145"	104.980502	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2Cl"	69.938804
"1254828"	218.941085	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Br"	78.918885
"1319226"	220.997072	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Cl+HCOOH"	80.974872
"1332954"	242.979029	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Cl+NaCOOH"	102.956829
"926446"	253.007786	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M-H+CF3COOH"	112.985586
"1301086"	288.984464	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Cl+CF3COOH"	148.962264
"1380948"	105.009524	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H-2H2O"	-35.012676
"1387633"	123.0195	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H-H2O"	-17.0027
"288415"	281.051676	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+H"	1.007276
"683022"	421.073876	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+H"	1.007276
"1363744"	141.029476	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H"	1.007276
"131167"	141.029476	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+2H"	2.014552
"569632"	211.040576	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+2H"	2.014552
"1044994"	71.018376	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2H"	2.014552
"211802"	94.3554093333333	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+3H"	3.021828
"652461"	141.029476	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+3H"	3.021828
"1170585"	47.6813426666667	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+3H"	3.021828
"429484"	298.078223	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+NH4"	18.033823
"791575"	438.100423	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+NH4"	18.033823
"1682075"	158.056023	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+NH4"	18.033823
"331808"	149.5427495	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+H+NH4"	19.041099
"724960"	219.5538495	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+H+NH4"	19.041099
"1478050"	79.5316495	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H+NH4"	19.041099
"396368"	303.033618	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+Na"	22.989218
"759916"	443.055818	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+Na"	22.989218
"1606555"	163.011418	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Na"	22.989218
"322423"	152.020447	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+H+Na"	23.996494
"710105"	222.031547	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+H+Na"	23.996494
"1466475"	82.009347	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H+Na"	23.996494
"1063002"	55.0086566666667	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2H+Na"	25.00377
"1265773"	173.055686	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+CH3OH+H"	33.033486
"385444"	319.007558	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+K"	38.963158
"744252"	459.029758	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+K"	38.963158
"1548492"	178.985358	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+K"	38.963158
"302388"	160.007417	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+H+K"	39.970434
"692744"	230.018517	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+H+K"	39.970434
"1451910"	89.996317	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H+K"	39.970434
"238329"	322.078226	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+ACN+H"	42.033826
"1212251"	182.056026	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+ACN+H"	42.033826
"1199662"	91.531651	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+ACN+2H"	43.041102
"189980"	325.01556	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+2Na-H"	44.97116
"629781"	465.03776	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+2Na-H"	44.97116
"1132074"	184.99336	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2Na-H"	44.97116
"173699"	163.011418	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+2Na"	45.978436
"615897"	233.022518	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+2Na"	45.978436
"1116320"	93.000318	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2Na"	45.978436
"1400498"	62.3359706666667	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H+2Na"	46.985712
"1431398"	187.034946	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H+HCOOH"	47.012746
"221095"	168.04444	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+3H2O+2H"	56.04448
"1513900"	201.08699	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+IsoProp+H"	61.06479
"416503"	170.998388	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+Na+K"	61.952376
"777864"	241.009488	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+Na+K"	61.952376
"1670912"	100.987288	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Na+K"	61.952376
"256337"	344.060168	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+ACN+Na"	64.015768
"1232324"	204.037968	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+ACN+Na"	64.015768
"1716839"	204.061493	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+NH4+HCOOH"	64.039293
"1180374"	69.6632846666667	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+3Na"	68.967654
"1657563"	209.016888	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Na+HCOOH"	68.994688
"168799"	356.96344	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+2K-H"	76.91904
"603987"	496.98564	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+2K-H"	76.91904
"1091777"	216.94124	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2K-H"	76.91904
"151876"	178.985358	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"2M+2K"	77.926316
"594353"	248.996458	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"3M+2K"	77.926316
"1075946"	108.974258	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2K"	77.926316
"1105879"	218.955792	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2K+H"	78.933592
"1345548"	219.043407	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+DMSO+H"	79.021207
"1017363"	223.082576	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2ACN+H"	83.060376
"1537676"	224.076208	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+IsoProp+Na+H"	84.054008
"999747"	112.044926	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+2ACN+2H"	84.067652
"1600812"	224.990828	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+K+HCOOH"	84.968628
"1428657"	255.022338	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+H+CF3COOH"	115.000138
"1160039"	132.558201	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+3ACN+2H"	125.094202
"1703033"	272.048885	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+NH4+CF3COOH"	132.026685
"1639776"	277.00428	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+Na+CF3COOH"	136.98208
"1586367"	292.97822	"C17206"	"Uracil 5-carbaldehyde;5-Formyluracil"	"C5H4N2O3"	"140.0222"	"M+K+CF3COOH"	152.95602
"806891"	315.1291	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M"	0
"983704"	296.11071	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-H2O-H"	-19.01839
"71947"	209.078790666667	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M-3H"	-3.021828
"512604"	314.121824	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M-3H"	-3.021828
"882752"	104.035757333333	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-3H"	-3.021828
"3512"	314.121824	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M-2H"	-2.014552
"441854"	471.686374	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M-2H"	-2.014552
"817710"	156.557274	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-2H"	-2.014552
"80258"	629.250924	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M-H"	-1.007276
"519327"	944.380024	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M-H"	-1.007276
"896891"	314.121824	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-H"	-1.007276
"53697"	646.277471	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M-2H+NH4"	16.019271
"489367"	961.406571	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M-2H+NH4"	16.019271
"865588"	331.148371	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-2H+NH4"	16.019271
"33126"	651.232866	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M-2H+Na"	20.974666
"475240"	966.361966	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M-2H+Na"	20.974666
"851948"	336.103766	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-2H+Na"	20.974666
"1619419"	336.103766	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Na-2H"	20.974666
"103482"	332.110163	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M-H+Cl"	33.962126
"547055"	489.674713	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M-H+Cl"	33.962126
"941188"	174.545613	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-H+Cl"	33.962126
"278400"	665.227602	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+Cl"	34.969402
"674960"	980.356702	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+Cl"	34.969402
"1286869"	350.098502	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Cl"	34.969402
"30766"	667.206806	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M-2H+K"	36.948606
"465341"	982.335906	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M-2H+K"	36.948606
"847396"	352.077706	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-2H+K"	36.948606
"1565539"	352.077706	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+K-2H"	36.948606
"954514"	360.127294	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-H+HCOOH"	44.998194
"374555"	675.256401	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+HCOOH-H"	44.998201
"360870"	689.272051	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+Hac-H"	59.013851
"1502896"	374.142951	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Hac-H"	59.013851
"969344"	382.109251	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-H+NaCOOH"	66.980151
"118616"	350.098502	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+2Cl"	69.938804
"559270"	507.663052	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+2Cl"	69.938804
"1035727"	192.533952	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2Cl"	69.938804
"1255792"	394.047985	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Br"	78.918885
"1310101"	396.103972	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Cl+HCOOH"	80.974872
"1325413"	418.085929	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Cl+NaCOOH"	102.956829
"919750"	428.114686	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M-H+CF3COOH"	112.985586
"1298646"	464.091364	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Cl+CF3COOH"	148.962264
"1377902"	280.116424	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H-2H2O"	-35.012676
"1387744"	298.1264	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H-H2O"	-17.0027
"296176"	631.265476	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+H"	1.007276
"685318"	946.394576	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+H"	1.007276
"1363853"	316.136376	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H"	1.007276
"136744"	316.136376	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+2H"	2.014552
"571932"	473.700926	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+2H"	2.014552
"1044010"	158.571826	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2H"	2.014552
"210819"	211.093342666667	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+3H"	3.021828
"652567"	316.136376	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+3H"	3.021828
"1170695"	106.050309333333	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+3H"	3.021828
"427407"	648.292023	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+NH4"	18.033823
"790956"	963.421123	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+NH4"	18.033823
"1683399"	333.162923	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+NH4"	18.033823
"332649"	324.6496495	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+H+NH4"	19.041099
"726529"	482.2141995	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+H+NH4"	19.041099
"1480714"	167.0850995	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H+NH4"	19.041099
"396842"	653.247418	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+Na"	22.989218
"761120"	968.376518	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+Na"	22.989218
"1608122"	338.118318	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Na"	22.989218
"319253"	327.127347	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+H+Na"	23.996494
"714954"	484.691897	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+H+Na"	23.996494
"1469865"	169.562797	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H+Na"	23.996494
"1057644"	113.377623333333	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2H+Na"	25.00377
"1258593"	348.162586	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+CH3OH+H"	33.033486
"379357"	669.221358	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+K"	38.963158
"740353"	984.350458	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+K"	38.963158
"1541673"	354.092258	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+K"	38.963158
"300674"	335.114317	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+H+K"	39.970434
"693098"	492.678867	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+H+K"	39.970434
"1446432"	177.549767	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H+K"	39.970434
"236614"	672.292026	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+ACN+H"	42.033826
"1210416"	357.162926	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+ACN+H"	42.033826
"1195151"	179.085101	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+ACN+2H"	43.041102
"193008"	675.22936	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+2Na-H"	44.97116
"634756"	990.35846	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+2Na-H"	44.97116
"1140084"	360.10026	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2Na-H"	44.97116
"174259"	338.118318	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+2Na"	45.978436
"613941"	495.682868	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+2Na"	45.978436
"1124619"	180.553768	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2Na"	45.978436
"1399391"	120.704937333333	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H+2Na"	46.985712
"1439533"	362.141846	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H+HCOOH"	47.012746
"227042"	343.15134	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+3H2O+2H"	56.04448
"1512917"	376.19389	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+IsoProp+H"	61.06479
"416977"	346.105288	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+Na+K"	61.952376
"779796"	503.669838	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+Na+K"	61.952376
"1671022"	188.540738	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Na+K"	61.952376
"255718"	694.273968	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+ACN+Na"	64.015768
"1230253"	379.144868	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+ACN+Na"	64.015768
"1724614"	379.168393	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+NH4+HCOOH"	64.039293
"1189968"	128.032251333333	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+3Na"	68.967654
"1657673"	384.123788	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Na+HCOOH"	68.994688
"169276"	707.17724	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+2K-H"	76.91904
"607377"	1022.30634	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+2K-H"	76.91904
"1096632"	392.04814	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2K-H"	76.91904
"151987"	354.092258	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"2M+2K"	77.926316
"594827"	511.656808	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"3M+2K"	77.926316
"1072781"	196.527708	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2K"	77.926316
"1108180"	394.062692	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2K+H"	78.933592
"1347481"	394.150307	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+DMSO+H"	79.021207
"1016376"	398.189476	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2ACN+H"	83.060376
"1536689"	399.183108	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+IsoProp+Na+H"	84.054008
"1002045"	199.598376	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+2ACN+2H"	84.067652
"1601655"	400.097728	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+K+HCOOH"	84.968628
"1429133"	430.129238	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+H+CF3COOH"	115.000138
"1148853"	220.111651	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+3ACN+2H"	125.094202
"1700956"	447.155785	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+NH4+CF3COOH"	132.026685
"1642080"	452.11118	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+Na+CF3COOH"	136.98208
"1576637"	468.08512	"C17208"	"Neosaxitoxin;NeoSTX"	"C10H17N7O5"	"315.1291"	"M+K+CF3COOH"	152.95602
"813567"	162.0528	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M"	0
"980539"	143.03441	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"70967"	107.027924	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"513809"	161.045524	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"887235"	53.010324	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"5810"	161.045524	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"447557"	242.071924	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"826454"	80.019124	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"87538"	323.098324	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"524910"	485.151124	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"903807"	161.045524	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"48339"	340.124871	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"488262"	502.177671	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"866796"	178.072071	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"36884"	345.080266	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"477538"	507.133066	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"850238"	183.027466	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1628159"	183.027466	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"109839"	179.033863	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"548504"	260.060263	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"942473"	98.007463	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"282616"	359.075002	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"674820"	521.127802	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1286860"	197.022202	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"28443"	361.054206	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"468371"	523.107006	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"845079"	199.001406	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1570028"	199.001406	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"956817"	207.050994	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"373572"	369.103801	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"356726"	383.119451	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1501550"	221.066651	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"967633"	229.032951	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"120187"	197.022202	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"562300"	278.048602	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1034746"	115.995802	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1255052"	240.971685	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1312398"	243.027672	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1328802"	265.009629	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"920954"	275.038386	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1298756"	311.015064	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1376918"	127.040124	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1395507"	145.0501	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"293008"	325.112876	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"684336"	487.165676	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1357404"	163.060076	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"128836"	163.060076	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"574230"	244.086476	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1040116"	82.033676	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"207650"	109.042476	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"653772"	163.060076	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1167889"	55.024876	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"427152"	342.139423	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"790336"	504.192223	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1684845"	180.086623	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"337498"	171.5733495	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"732106"	252.5997495	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1482645"	90.5469495	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"395128"	347.094818	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"756488"	509.147618	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1606044"	185.042018	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"321549"	174.051047	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"709229"	255.077447	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1468883"	93.024647	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1055568"	62.35219	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1259068"	195.086286	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"379101"	363.068758	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"740461"	525.121558	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1541056"	201.015958	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"300420"	182.038017	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"692843"	263.064417	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1446176"	101.011617	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"239644"	366.139426	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1211626"	204.086626	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1198788"	102.546951	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"197858"	369.07676	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"641067"	531.12956	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1139831"	207.02396	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"184945"	185.042018	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"624506"	266.068418	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1122543"	104.015618	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1405702"	69.679504	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1439643"	209.065546	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"220829"	190.07504	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1517403"	223.11759	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"413809"	193.028988	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"772979"	274.055388	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1667854"	112.002588	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"255107"	388.121368	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1230003"	226.068568	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1713787"	226.092093	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1185704"	77.006818	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1662159"	231.047488	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"170848"	401.02464	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"611744"	563.07744	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1096376"	238.97184	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"149910"	201.015958	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"590564"	282.042358	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1079451"	119.989558	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1110842"	240.986392	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1347228"	241.074007	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1016852"	245.113176	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1535705"	246.106808	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"999965"	123.060226	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1593378"	247.021428	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1421224"	277.052938	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1152604"	143.573501	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1699971"	294.079485	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1642190"	299.03488	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1576747"	315.00882	"C17209"	"2-Deoxy-scyllo-inosose;2-Deoxyinosose;2-Deoxy-L-scyllo-inosose"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"807111"	208.0405	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M"	0
"980648"	189.02211	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H2O-H"	-19.01839
"67797"	137.686390666667	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-3H"	-3.021828
"510638"	207.033224	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-3H"	-3.021828
"882972"	68.3395573333333	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-3H"	-3.021828
"2640"	207.033224	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H"	-2.014552
"442200"	311.053474	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H"	-2.014552
"821097"	103.012974	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H"	-2.014552
"83274"	415.073724	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-H"	-1.007276
"521011"	623.114224	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-H"	-1.007276
"900637"	207.033224	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H"	-1.007276
"48449"	432.100271	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H+NH4"	16.019271
"487763"	640.140771	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H+NH4"	16.019271
"867999"	224.059771	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H+NH4"	16.019271
"34806"	437.055666	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H+Na"	20.974666
"474367"	645.096166	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H+Na"	20.974666
"850349"	229.015166	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H+Na"	20.974666
"1624989"	229.015166	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na-2H"	20.974666
"109784"	225.021563	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-H+Cl"	33.962126
"548735"	329.041813	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-H+Cl"	33.962126
"942130"	121.001313	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+Cl"	33.962126
"282267"	451.050402	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Cl"	34.969402
"675052"	659.090902	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+Cl"	34.969402
"1286725"	243.009902	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl"	34.969402
"29649"	453.029606	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H+K"	36.948606
"469574"	661.070106	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H+K"	36.948606
"841179"	244.989106	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H+K"	36.948606
"1570866"	244.989106	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K-2H"	36.948606
"955104"	253.038694	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+HCOOH"	44.998194
"372224"	461.079201	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+HCOOH-H"	44.998201
"357200"	475.094851	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Hac-H"	59.013851
"1503846"	267.054351	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Hac-H"	59.013851
"967379"	275.020651	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+NaCOOH"	66.980151
"119566"	243.009902	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2Cl"	69.938804
"560951"	347.030152	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2Cl"	69.938804
"1035462"	138.989652	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2Cl"	69.938804
"1252246"	286.959385	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Br"	78.918885
"1311414"	289.015372	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl+HCOOH"	80.974872
"1328912"	310.997329	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl+NaCOOH"	102.956829
"918876"	321.026086	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+CF3COOH"	112.985586
"1301783"	357.002764	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl+CF3COOH"	148.962264
"1377028"	173.027824	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H-2H2O"	-35.012676
"1395617"	191.0378	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H-H2O"	-17.0027
"290932"	417.088276	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H"	1.007276
"682260"	625.128776	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H"	1.007276
"1358607"	209.047776	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H"	1.007276
"128217"	209.047776	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2H"	2.014552
"575433"	313.068026	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2H"	2.014552
"1040590"	105.027526	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2H"	2.014552
"208125"	139.700942666667	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+3H"	3.021828
"653882"	209.047776	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+3H"	3.021828
"1169822"	70.3541093333333	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+3H"	3.021828
"428719"	434.114823	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+NH4"	18.033823
"790810"	642.155323	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+NH4"	18.033823
"1689329"	226.074323	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+NH4"	18.033823
"333961"	217.5610495	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H+NH4"	19.041099
"726747"	321.5812995	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H+NH4"	19.041099
"1482755"	113.5407995	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+NH4"	19.041099
"395967"	439.070218	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Na"	22.989218
"758786"	647.110718	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+Na"	22.989218
"1605426"	231.029718	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na"	22.989218
"318380"	220.038747	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H+Na"	23.996494
"709704"	324.058997	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H+Na"	23.996494
"1470086"	116.018497	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+Na"	23.996494
"1055313"	77.6814233333333	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2H+Na"	25.00377
"1259542"	241.073986	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+CH3OH+H"	33.033486
"377291"	455.044158	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+K"	38.963158
"738660"	663.084658	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+K"	38.963158
"1540437"	247.003658	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K"	38.963158
"299434"	228.025717	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H+K"	39.970434
"692954"	332.045967	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H+K"	39.970434
"1446408"	124.005467	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+K"	39.970434
"238661"	458.114826	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+ACN+H"	42.033826
"1210760"	250.074326	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+ACN+H"	42.033826
"1195008"	125.540801	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+ACN+2H"	43.041102
"189948"	461.05216	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2Na-H"	44.97116
"641175"	669.09266	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2Na-H"	44.97116
"1139942"	253.01166	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2Na-H"	44.97116
"183235"	231.029718	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2Na"	45.978436
"620969"	335.049968	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2Na"	45.978436
"1126299"	127.009468	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2Na"	45.978436
"1399494"	85.0087373333333	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+2Na"	46.985712
"1434284"	255.053246	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+HCOOH"	47.012746
"220937"	236.06274	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+3H2O+2H"	56.04448
"1517513"	269.10529	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+IsoProp+H"	61.06479
"413919"	239.016688	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Na+K"	61.952376
"772725"	343.036938	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+Na+K"	61.952376
"1669058"	134.996438	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na+K"	61.952376
"252664"	480.096768	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+ACN+Na"	64.015768
"1226952"	272.056268	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+ACN+Na"	64.015768
"1714623"	272.079793	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+NH4+HCOOH"	64.039293
"1180710"	92.3360513333333	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+3Na"	68.967654
"1656802"	277.035188	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na+HCOOH"	68.994688
"169498"	493.00004	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2K-H"	76.91904
"611976"	701.04054	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2K-H"	76.91904
"1097579"	284.95954	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2K-H"	76.91904
"150020"	247.003658	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2K"	77.926316
"590675"	351.023908	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2K"	77.926316
"1079560"	142.983408	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2K"	77.926316
"1110222"	286.974092	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2K+H"	78.933592
"1346973"	287.061707	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+DMSO+H"	79.021207
"1012222"	291.100876	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2ACN+H"	83.060376
"1536181"	292.094508	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+IsoProp+Na+H"	84.054008
"995702"	146.054076	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2ACN+2H"	84.067652
"1593488"	293.009128	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K+HCOOH"	84.968628
"1419148"	323.040638	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+CF3COOH"	115.000138
"1147977"	166.567351	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+3ACN+2H"	125.094202
"1698623"	340.067185	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+NH4+CF3COOH"	132.026685
"1642300"	345.02258	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na+CF3COOH"	136.98208
"1576857"	360.99652	"C17210"	"2-(2-Methylthio)ethylmalic acid;2-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K+CF3COOH"	152.95602
"807221"	162.0351	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M"	0
"976384"	143.01671	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-H2O-H"	-19.01839
"66814"	107.016124	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M-3H"	-3.021828
"510748"	161.027824	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M-3H"	-3.021828
"883082"	53.004424	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-3H"	-3.021828
"1657"	161.027824	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M-2H"	-2.014552
"440321"	242.045374	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M-2H"	-2.014552
"821207"	80.010274	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-2H"	-2.014552
"83748"	323.062924	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M-H"	-1.007276
"521849"	485.098024	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M-H"	-1.007276
"898559"	161.027824	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-H"	-1.007276
"56214"	340.089471	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M-2H+NH4"	16.019271
"492496"	502.124571	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M-2H+NH4"	16.019271
"867016"	178.054371	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-2H+NH4"	16.019271
"33823"	345.044866	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M-2H+Na"	20.974666
"475569"	507.079966	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M-2H+Na"	20.974666
"852277"	183.009766	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-2H+Na"	20.974666
"1620722"	183.009766	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Na-2H"	20.974666
"106002"	179.016163	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M-H+Cl"	33.962126
"548239"	260.033713	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M-H+Cl"	33.962126
"940417"	97.998613	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-H+Cl"	33.962126
"279702"	359.039602	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+Cl"	34.969402
"673095"	521.074702	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+Cl"	34.969402
"1285742"	197.004502	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Cl"	34.969402
"27205"	361.018806	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M-2H+K"	36.948606
"469320"	523.053906	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M-2H+K"	36.948606
"840195"	198.983706	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-2H+K"	36.948606
"1567695"	198.983706	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+K-2H"	36.948606
"955214"	207.033294	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-H+HCOOH"	44.998194
"372699"	369.068401	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+HCOOH-H"	44.998201
"356582"	383.084051	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+Hac-H"	59.013851
"1502133"	221.048951	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Hac-H"	59.013851
"966759"	229.015251	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-H+NaCOOH"	66.980151
"118948"	197.004502	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+2Cl"	69.938804
"559239"	278.022052	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+2Cl"	69.938804
"1032413"	115.986952	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2Cl"	69.938804
"1249075"	240.953985	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Br"	78.918885
"1309337"	243.009972	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Cl+HCOOH"	80.974872
"1329022"	264.991929	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Cl+NaCOOH"	102.956829
"918986"	275.020686	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M-H+CF3COOH"	112.985586
"1301893"	310.997364	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Cl+CF3COOH"	148.962264
"1377138"	127.022424	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H-2H2O"	-35.012676
"1395727"	145.0324	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H-H2O"	-17.0027
"291042"	325.077476	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+H"	1.007276
"681277"	487.112576	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+H"	1.007276
"1358717"	163.042376	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H"	1.007276
"126626"	163.042376	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+2H"	2.014552
"566915"	244.059926	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+2H"	2.014552
"1040336"	82.024826	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2H"	2.014552
"207141"	109.030676	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+3H"	3.021828
"655085"	163.042376	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+3H"	3.021828
"1169932"	55.018976	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+3H"	3.021828
"428100"	342.104023	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+NH4"	18.033823
"789462"	504.139123	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+NH4"	18.033823
"1688710"	180.068923	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+NH4"	18.033823
"334435"	171.5556495	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+H+NH4"	19.041099
"727586"	252.5731995	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+H+NH4"	19.041099
"1481771"	90.5380995	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H+NH4"	19.041099
"396077"	347.059418	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+Na"	22.989218
"758532"	509.094518	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+Na"	22.989218
"1604440"	185.024318	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Na"	22.989218
"317031"	174.033347	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+H+Na"	23.996494
"710178"	255.050897	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+H+Na"	23.996494
"1468009"	93.015797	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H+Na"	23.996494
"1055422"	62.34629	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2H+Na"	25.00377
"1257622"	195.068586	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+CH3OH+H"	33.033486
"377370"	363.033358	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+K"	38.963158
"738727"	525.068458	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+K"	38.963158
"1539970"	200.998258	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+K"	38.963158
"299175"	182.020317	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+H+K"	39.970434
"693063"	263.037867	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+H+K"	39.970434
"1445724"	101.002767	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H+K"	39.970434
"237675"	366.104026	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+ACN+H"	42.033826
"1212569"	204.068926	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+ACN+H"	42.033826
"1194876"	102.538101	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+ACN+2H"	43.041102
"188561"	369.04136	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+2Na-H"	44.97116
"636545"	531.07646	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+2Na-H"	44.97116
"1134583"	207.00626	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2Na-H"	44.97116
"180427"	185.024318	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+2Na"	45.978436
"615247"	266.041868	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+2Na"	45.978436
"1118388"	104.006768	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2Na"	45.978436
"1398745"	69.673604	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H+2Na"	46.985712
"1433299"	209.047846	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H+HCOOH"	47.012746
"220441"	190.05734	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+3H2O+2H"	56.04448
"1511059"	223.09989	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+IsoProp+H"	61.06479
"415122"	193.011288	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+Na+K"	61.952376
"772105"	274.028838	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+Na+K"	61.952376
"1669168"	111.993738	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Na+K"	61.952376
"253138"	388.085968	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+ACN+Na"	64.015768
"1227306"	226.050868	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+ACN+Na"	64.015768
"1714005"	226.074393	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+NH4+HCOOH"	64.039293
"1180091"	77.000918	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+3Na"	68.967654
"1657640"	231.029788	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Na+HCOOH"	68.994688
"168516"	400.98924	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+2K-H"	76.91904
"609901"	563.02434	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+2K-H"	76.91904
"1097325"	238.95414	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2K-H"	76.91904
"152316"	200.998258	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"2M+2K"	77.926316
"590785"	282.015808	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"3M+2K"	77.926316
"1078577"	119.980708	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2K"	77.926316
"1109968"	240.968692	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2K+H"	78.933592
"1345625"	241.056307	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+DMSO+H"	79.021207
"1012332"	245.095476	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2ACN+H"	83.060376
"1536655"	246.089108	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+IsoProp+Na+H"	84.054008
"995812"	123.051376	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+2ACN+2H"	84.067652
"1593598"	247.003728	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+K+HCOOH"	84.968628
"1419258"	277.035238	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+H+CF3COOH"	115.000138
"1147722"	143.564651	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+3ACN+2H"	125.094202
"1698004"	294.061785	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+NH4+CF3COOH"	132.026685
"1642410"	299.01718	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+Na+CF3COOH"	136.98208
"1576967"	314.99112	"C17211"	"2-Oxo-5-methylthiopentanoic acid;5-(Methylthio)-2-oxo-pentanoic acid"	"C6H10O3S"	"162.0351"	"M+K+CF3COOH"	152.95602
"807331"	208.0405	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M"	0
"984150"	189.02211	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H2O-H"	-19.01839
"70206"	137.686390666667	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-3H"	-3.021828
"506484"	207.033224	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-3H"	-3.021828
"884287"	68.3395573333333	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-3H"	-3.021828
"3953"	207.033224	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H"	-2.014552
"446794"	311.053474	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H"	-2.014552
"824597"	103.012974	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H"	-2.014552
"83859"	415.073724	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-H"	-1.007276
"524148"	623.114224	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-H"	-1.007276
"900857"	207.033224	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H"	-1.007276
"58513"	432.100271	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H+NH4"	16.019271
"492607"	640.140771	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H+NH4"	16.019271
"866396"	224.059771	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H+NH4"	16.019271
"33933"	437.055666	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H+Na"	20.974666
"477866"	645.096166	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H+Na"	20.974666
"850200"	229.015166	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H+Na"	20.974666
"1618927"	229.015166	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na-2H"	20.974666
"107207"	225.021563	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-H+Cl"	33.962126
"548350"	329.041813	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-H+Cl"	33.962126
"941869"	121.001313	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+Cl"	33.962126
"279933"	451.050402	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Cl"	34.969402
"673205"	659.090902	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+Cl"	34.969402
"1285853"	243.009902	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl"	34.969402
"27316"	453.029606	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M-2H+K"	36.948606
"469430"	661.070106	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M-2H+K"	36.948606
"842493"	244.989106	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-2H+K"	36.948606
"1568898"	244.989106	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K-2H"	36.948606
"955689"	253.038694	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+HCOOH"	44.998194
"372080"	461.079201	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+HCOOH-H"	44.998201
"355961"	475.094851	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Hac-H"	59.013851
"1504799"	267.054351	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Hac-H"	59.013851
"966871"	275.020651	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+NaCOOH"	66.980151
"120153"	243.009902	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2Cl"	69.938804
"562630"	347.030152	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2Cl"	69.938804
"1034710"	138.989652	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2Cl"	69.938804
"1249190"	286.959385	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Br"	78.918885
"1309450"	289.015372	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl+HCOOH"	80.974872
"1324030"	310.997329	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl+NaCOOH"	102.956829
"923475"	321.026086	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M-H+CF3COOH"	112.985586
"1299088"	357.002764	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Cl+CF3COOH"	148.962264
"1375063"	173.027824	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H-2H2O"	-35.012676
"1390372"	191.0378	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H-H2O"	-17.0027
"285686"	417.088276	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H"	1.007276
"685761"	625.128776	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H"	1.007276
"1358829"	209.047776	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H"	1.007276
"131719"	209.047776	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2H"	2.014552
"573467"	313.068026	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2H"	2.014552
"1042270"	105.027526	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2H"	2.014552
"208346"	139.700942666667	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+3H"	3.021828
"645473"	209.047776	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+3H"	3.021828
"1166396"	70.3541093333333	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+3H"	3.021828
"429672"	434.114823	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+NH4"	18.033823
"793585"	642.155323	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+NH4"	18.033823
"1688823"	226.074323	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+NH4"	18.033823
"334913"	217.5610495	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H+NH4"	19.041099
"728064"	321.5812995	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H+NH4"	19.041099
"1481520"	113.5407995	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+NH4"	19.041099
"402751"	439.070218	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Na"	22.989218
"758279"	647.110718	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+Na"	22.989218
"1607470"	231.029718	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na"	22.989218
"325161"	220.038747	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H+Na"	23.996494
"712114"	324.058997	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H+Na"	23.996494
"1464477"	116.018497	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+Na"	23.996494
"1054806"	77.6814233333333	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2H+Na"	25.00377
"1259765"	241.073986	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+CH3OH+H"	33.033486
"377973"	455.044158	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+K"	38.963158
"738924"	663.084658	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+K"	38.963158
"1540777"	247.003658	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K"	38.963158
"298749"	228.025717	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+H+K"	39.970434
"694268"	332.045967	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+H+K"	39.970434
"1448088"	124.005467	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+K"	39.970434
"237786"	458.114826	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+ACN+H"	42.033826
"1210249"	250.074326	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+ACN+H"	42.033826
"1200943"	125.540801	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+ACN+2H"	43.041102
"196001"	461.05216	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2Na-H"	44.97116
"634833"	669.09266	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2Na-H"	44.97116
"1141256"	253.01166	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2Na-H"	44.97116
"178349"	231.029718	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2Na"	45.978436
"619367"	335.049968	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2Na"	45.978436
"1121779"	127.009468	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2Na"	45.978436
"1402388"	85.0087373333333	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+2Na"	46.985712
"1432681"	255.053246	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+HCOOH"	47.012746
"222741"	236.06274	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+3H2O+2H"	56.04448
"1511169"	269.10529	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+IsoProp+H"	61.06479
"411220"	239.016688	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+Na+K"	61.952376
"776227"	343.036938	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+Na+K"	61.952376
"1669278"	134.996438	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na+K"	61.952376
"256895"	480.096768	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+ACN+Na"	64.015768
"1228509"	272.056268	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+ACN+Na"	64.015768
"1715574"	272.079793	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+NH4+HCOOH"	64.039293
"1184211"	92.3360513333333	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+3Na"	68.967654
"1656656"	277.035188	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na+HCOOH"	68.994688
"168989"	493.00004	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2K-H"	76.91904
"611708"	701.04054	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2K-H"	76.91904
"1090142"	284.95954	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2K-H"	76.91904
"145137"	247.003658	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"2M+2K"	77.926316
"583362"	351.023908	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"3M+2K"	77.926316
"1073220"	142.983408	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2K"	77.926316
"1113361"	286.974092	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2K+H"	78.933592
"1344642"	287.061707	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+DMSO+H"	79.021207
"1017912"	291.100876	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2ACN+H"	83.060376
"1533851"	292.094508	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+IsoProp+Na+H"	84.054008
"1001025"	146.054076	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+2ACN+2H"	84.067652
"1595895"	293.009128	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K+HCOOH"	84.968628
"1420461"	323.040638	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+H+CF3COOH"	115.000138
"1149658"	166.567351	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+3ACN+2H"	125.094202
"1702489"	340.067185	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+NH4+CF3COOH"	132.026685
"1648717"	345.02258	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+Na+CF3COOH"	136.98208
"1580357"	360.99652	"C17212"	"3-(2-Methylthio)ethylmalic acid;3-(2-Methylthio)ethylmalate"	"C7H12O5S"	"208.0405"	"M+K+CF3COOH"	152.95602
"807441"	163.0667	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M"	0
"980980"	144.04831	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-H2O-H"	-19.01839
"70316"	107.703857333333	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M-3H"	-3.021828
"510969"	162.059424	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M-3H"	-3.021828
"885491"	53.3482906666667	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-3H"	-3.021828
"2970"	162.059424	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M-2H"	-2.014552
"444717"	243.592774	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M-2H"	-2.014552
"824707"	80.526074	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-2H"	-2.014552
"82875"	325.126124	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M-H"	-1.007276
"524258"	488.192824	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M-H"	-1.007276
"897927"	162.059424	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-H"	-1.007276
"58259"	342.152671	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M-2H+NH4"	16.019271
"491624"	505.219371	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M-2H+NH4"	16.019271
"867236"	179.085971	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-2H+NH4"	16.019271
"34407"	347.108066	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M-2H+Na"	20.974666
"474696"	510.174766	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M-2H+Na"	20.974666
"850431"	184.041366	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-2H+Na"	20.974666
"1622032"	184.041366	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Na-2H"	20.974666
"107315"	180.047763	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M-H+Cl"	33.962126
"548823"	261.581113	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M-H+Cl"	33.962126
"942421"	98.514413	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-H+Cl"	33.962126
"278949"	361.102802	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+Cl"	34.969402
"670277"	524.169502	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+Cl"	34.969402
"1282682"	198.036102	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Cl"	34.969402
"24146"	363.082006	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M-2H+K"	36.948606
"461519"	526.148706	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M-2H+K"	36.948606
"839323"	200.015306	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-2H+K"	36.948606
"1567186"	200.015306	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+K-2H"	36.948606
"953977"	208.064894	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-H+HCOOH"	44.998194
"370003"	371.131601	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+HCOOH-H"	44.998201
"350604"	385.147251	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+Hac-H"	59.013851
"1502722"	222.080551	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Hac-H"	59.013851
"965887"	230.046851	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-H+NaCOOH"	66.980151
"120263"	198.036102	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+2Cl"	69.938804
"557637"	279.569452	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+2Cl"	69.938804
"1031904"	116.502752	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2Cl"	69.938804
"1247113"	241.985585	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Br"	78.918885
"1308467"	244.041572	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Cl+HCOOH"	80.974872
"1321589"	266.023529	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Cl+NaCOOH"	102.956829
"920305"	276.052286	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M-H+CF3COOH"	112.985586
"1299198"	312.028964	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Cl+CF3COOH"	148.962264
"1368613"	128.054024	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H-2H2O"	-35.012676
"1388295"	146.064	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H-H2O"	-17.0027
"285796"	327.140676	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+H"	1.007276
"684778"	490.207376	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+H"	1.007276
"1358939"	164.073976	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H"	1.007276
"131829"	164.073976	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+2H"	2.014552
"568109"	245.607326	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+2H"	2.014552
"1042381"	82.540626	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2H"	2.014552
"206271"	109.718409333333	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+3H"	3.021828
"645101"	164.073976	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+3H"	3.021828
"1167237"	55.3628426666667	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+3H"	3.021828
"429782"	344.167223	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+NH4"	18.033823
"792602"	507.233923	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+NH4"	18.033823
"1689662"	181.100523	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+NH4"	18.033823
"334294"	172.5872495	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+H+NH4"	19.041099
"728174"	254.1205995	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+H+NH4"	19.041099
"1480902"	91.0538995	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H+NH4"	19.041099
"399581"	349.122618	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+Na"	22.989218
"761669"	512.189318	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+Na"	22.989218
"1605028"	186.055918	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Na"	22.989218
"325271"	175.064947	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+H+Na"	23.996494
"709308"	256.598297	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+H+Na"	23.996494
"1463858"	93.531597	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H+Na"	23.996494
"1054916"	62.6901566666667	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2H+Na"	25.00377
"1259510"	196.100186	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+CH3OH+H"	33.033486
"379907"	365.096558	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+K"	38.963158
"738712"	528.163258	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+K"	38.963158
"1542590"	202.029858	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+K"	38.963158
"299767"	183.051917	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+H+K"	39.970434
"693285"	264.585267	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+H+K"	39.970434
"1449291"	101.518567	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H+K"	39.970434
"236924"	368.167226	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+ACN+H"	42.033826
"1210723"	205.100526	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+ACN+H"	42.033826
"1201053"	103.053901	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+ACN+2H"	43.041102
"197204"	371.10456	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+2Na-H"	44.97116
"636766"	534.17126	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+2Na-H"	44.97116
"1141366"	208.03786	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2Na-H"	44.97116
"180283"	186.055918	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+2Na"	45.978436
"619843"	267.589268	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+2Na"	45.978436
"1121159"	104.522568	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2Na"	45.978436
"1403956"	70.0174706666667	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H+2Na"	46.985712
"1433884"	210.079446	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H+HCOOH"	47.012746
"227590"	191.08894	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+3H2O+2H"	56.04448
"1512374"	224.13149	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+IsoProp+H"	61.06479
"413152"	194.042888	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+Na+K"	61.952376
"776337"	275.576238	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+Na+K"	61.952376
"1669388"	112.509538	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Na+K"	61.952376
"253724"	390.149168	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+ACN+Na"	64.015768
"1230805"	227.082468	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+ACN+Na"	64.015768
"1716412"	227.105993	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+NH4+HCOOH"	64.039293
"1180674"	77.3447846666667	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+3Na"	68.967654
"1653485"	232.061388	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Na+HCOOH"	68.994688
"165086"	403.05244	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+2K-H"	76.91904
"605011"	566.11914	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+2K-H"	76.91904
"1090980"	239.98574	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2K-H"	76.91904
"145976"	202.029858	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"2M+2K"	77.926316
"581602"	283.563208	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"3M+2K"	77.926316
"1068710"	120.496508	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2K"	77.926316
"1105449"	242.000292	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2K+H"	78.933592
"1338555"	242.087907	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+DMSO+H"	79.021207
"1007692"	246.127076	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2ACN+H"	83.060376
"1529585"	247.120708	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+IsoProp+Na+H"	84.054008
"997125"	123.567176	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+2ACN+2H"	84.067652
"1590536"	248.035328	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+K+HCOOH"	84.968628
"1415468"	278.066838	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+H+CF3COOH"	115.000138
"1147579"	144.080451	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+3ACN+2H"	125.094202
"1697284"	295.093385	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+NH4+CF3COOH"	132.026685
"1645911"	300.04878	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+Na+CF3COOH"	136.98208
"1577187"	316.02272	"C17213"	"Homomethionine"	"C6H13NO2S"	"163.0667"	"M+K+CF3COOH"	152.95602
"807551"	222.0562	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M"	0
"983276"	203.03781	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H2O-H"	-19.01839
"72613"	147.030190666667	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-3H"	-3.021828
"511081"	221.048924	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-3H"	-3.021828
"893985"	73.0114573333333	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-3H"	-3.021828
"3083"	221.048924	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H"	-2.014552
"447016"	332.077024	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H"	-2.014552
"821537"	110.020824	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H"	-2.014552
"83715"	443.105124	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-H"	-1.007276
"525461"	665.161324	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-H"	-1.007276
"898160"	221.048924	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H"	-1.007276
"52171"	460.131671	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H+NH4"	16.019271
"493918"	682.187871	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H+NH4"	16.019271
"866616"	238.075471	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H+NH4"	16.019271
"32203"	465.087066	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H+Na"	20.974666
"474808"	687.143266	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H+Na"	20.974666
"849566"	243.030866	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H+Na"	20.974666
"1620440"	243.030866	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na-2H"	20.974666
"104146"	239.037263	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-H+Cl"	33.962126
"548933"	350.065363	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-H+Cl"	33.962126
"942724"	128.009163	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+Cl"	33.962126
"279059"	479.081802	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Cl"	34.969402
"670387"	701.138002	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+Cl"	34.969402
"1283885"	257.025602	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl"	34.969402
"25349"	481.061006	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H+K"	36.948606
"462722"	703.117206	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H+K"	36.948606
"839433"	259.004806	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H+K"	36.948606
"1567296"	259.004806	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K-2H"	36.948606
"954086"	267.054394	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+HCOOH"	44.998194
"366833"	489.110601	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+HCOOH-H"	44.998201
"352900"	503.126251	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Hac-H"	59.013851
"1500642"	281.070051	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Hac-H"	59.013851
"968550"	289.036351	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+NaCOOH"	66.980151
"120374"	257.025602	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2Cl"	69.938804
"556654"	368.053702	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2Cl"	69.938804
"1034201"	145.997502	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2Cl"	69.938804
"1246127"	300.975085	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Br"	78.918885
"1308577"	303.031072	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl+HCOOH"	80.974872
"1321699"	325.013029	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl+NaCOOH"	102.956829
"920415"	335.041786	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+CF3COOH"	112.985586
"1299308"	371.018464	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl+CF3COOH"	148.962264
"1368723"	187.043524	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H-2H2O"	-35.012676
"1388405"	205.0535	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H-H2O"	-17.0027
"283353"	445.119676	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H"	1.007276
"683795"	667.175876	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H"	1.007276
"1356862"	223.063476	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H"	1.007276
"131939"	223.063476	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2H"	2.014552
"572593"	334.091576	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2H"	2.014552
"1041761"	112.035376	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2H"	2.014552
"205649"	149.044742666667	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+3H"	3.021828
"644965"	223.063476	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+3H"	3.021828
"1164186"	75.0260093333333	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+3H"	3.021828
"429892"	462.146223	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+NH4"	18.033823
"791982"	684.202423	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+NH4"	18.033823
"1687949"	240.090023	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+NH4"	18.033823
"335134"	231.5767495	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H+NH4"	19.041099
"728285"	342.6048495	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H+NH4"	19.041099
"1483199"	120.5486495	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+NH4"	19.041099
"397503"	467.101618	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Na"	22.989218
"761779"	689.157818	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+Na"	22.989218
"1604410"	245.045418	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na"	22.989218
"322101"	234.054447	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H+Na"	23.996494
"712333"	345.082547	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H+Na"	23.996494
"1463241"	123.026347	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+Na"	23.996494
"1054298"	82.3533233333333	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2H+Na"	25.00377
"1258649"	255.089686	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+CH3OH+H"	33.033486
"377750"	483.075558	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+K"	38.963158
"739067"	705.131758	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+K"	38.963158
"1541607"	261.019358	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K"	38.963158
"298900"	242.041417	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H+K"	39.970434
"691650"	353.069517	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H+K"	39.970434
"1446364"	131.013317	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+K"	39.970434
"236913"	486.146226	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+ACN+H"	42.033826
"1210107"	264.090026	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+ACN+H"	42.033826
"1201163"	132.548651	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+ACN+2H"	43.041102
"196221"	489.08356	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2Na-H"	44.97116
"640156"	711.13976	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2Na-H"	44.97116
"1141476"	267.02736	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2Na-H"	44.97116
"180393"	245.045418	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2Na"	45.978436
"623233"	356.073518	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2Na"	45.978436
"1120177"	134.017318	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2Na"	45.978436
"1402608"	89.6806373333333	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+2Na"	46.985712
"1433630"	269.068946	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+HCOOH"	47.012746
"226607"	250.07844	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+3H2O+2H"	56.04448
"1512484"	283.12099	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+IsoProp+H"	61.06479
"412169"	253.032388	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Na+K"	61.952376
"771583"	364.060488	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+Na+K"	61.952376
"1670591"	142.004288	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na+K"	61.952376
"252741"	508.128168	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+ACN+Na"	64.015768
"1228728"	286.071968	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+ACN+Na"	64.015768
"1717615"	286.095493	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+NH4+HCOOH"	64.039293
"1185158"	97.0079513333333	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+3Na"	68.967654
"1655417"	291.050888	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na+HCOOH"	68.994688
"162280"	521.03144	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2K-H"	76.91904
"601840"	743.08764	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2K-H"	76.91904
"1087809"	298.97524	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2K-H"	76.91904
"141826"	261.019358	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2K"	77.926316
"582726"	372.047458	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2K"	77.926316
"1070031"	149.991258	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2K"	77.926316
"1108839"	300.989792	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2K+H"	78.933592
"1337327"	301.077407	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+DMSO+H"	79.021207
"1007438"	305.116576	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2ACN+H"	83.060376
"1528602"	306.110208	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+IsoProp+Na+H"	84.054008
"991768"	153.061926	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2ACN+2H"	84.067652
"1589553"	307.024828	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K+HCOOH"	84.968628
"1415578"	337.056338	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+CF3COOH"	115.000138
"1147107"	173.575201	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+3ACN+2H"	125.094202
"1697600"	354.082885	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+NH4+CF3COOH"	132.026685
"1646021"	359.03828	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na+CF3COOH"	136.98208
"1577297"	375.01222	"C17214"	"2-(3-Methylthio)propylmalic acid;2-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K+CF3COOH"	152.95602
"809848"	222.0562	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M"	0
"988490"	203.03781	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H2O-H"	-19.01839
"70534"	147.030190666667	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-3H"	-3.021828
"511191"	221.048924	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-3H"	-3.021828
"894459"	73.0114573333333	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-3H"	-3.021828
"3921"	221.048924	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H"	-2.014552
"444574"	332.077024	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H"	-2.014552
"822011"	110.020824	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H"	-2.014552
"83825"	443.105124	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-H"	-1.007276
"524478"	665.161324	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-H"	-1.007276
"900457"	221.048924	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H"	-1.007276
"53374"	460.131671	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H+NH4"	16.019271
"494028"	682.187871	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H+NH4"	16.019271
"866726"	238.075471	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H+NH4"	16.019271
"32438"	465.087066	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H+Na"	20.974666
"474918"	687.143266	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H+Na"	20.974666
"848989"	243.030866	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H+Na"	20.974666
"1619213"	243.030866	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na-2H"	20.974666
"108509"	239.037263	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-H+Cl"	33.962126
"549693"	350.065363	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-H+Cl"	33.962126
"940613"	128.009163	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+Cl"	33.962126
"281356"	479.081802	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Cl"	34.969402
"671590"	701.138002	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+Cl"	34.969402
"1282902"	257.025602	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl"	34.969402
"27645"	481.061006	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M-2H+K"	36.948606
"466113"	703.117206	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M-2H+K"	36.948606
"841729"	259.004806	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-2H+K"	36.948606
"1566313"	259.004806	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K-2H"	36.948606
"954195"	267.054394	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+HCOOH"	44.998194
"370224"	489.110601	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+HCOOH-H"	44.998201
"351921"	503.126251	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Hac-H"	59.013851
"1500752"	281.070051	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Hac-H"	59.013851
"969025"	289.036351	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+NaCOOH"	66.980151
"116109"	257.025602	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2Cl"	69.938804
"557856"	368.053702	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2Cl"	69.938804
"1032124"	145.997502	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2Cl"	69.938804
"1248422"	300.975085	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Br"	78.918885
"1308686"	303.031072	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl+HCOOH"	80.974872
"1322173"	325.013029	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl+NaCOOH"	102.956829
"925992"	335.041786	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M-H+CF3COOH"	112.985586
"1299418"	371.018464	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Cl+CF3COOH"	148.962264
"1372113"	187.043524	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H-2H2O"	-35.012676
"1388515"	205.0535	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H-H2O"	-17.0027
"289296"	445.119676	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H"	1.007276
"683905"	667.175876	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H"	1.007276
"1355879"	223.063476	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H"	1.007276
"132049"	223.063476	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2H"	2.014552
"574890"	334.091576	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2H"	2.014552
"1046974"	112.035376	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2H"	2.014552
"209408"	149.044742666667	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+3H"	3.021828
"646413"	223.063476	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+3H"	3.021828
"1165271"	75.0260093333333	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+3H"	3.021828
"431461"	462.146223	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+NH4"	18.033823
"792821"	684.202423	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+NH4"	18.033823
"1688788"	240.090023	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+NH4"	18.033823
"338160"	231.5767495	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H+NH4"	19.041099
"729487"	342.6048495	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H+NH4"	19.041099
"1484402"	120.5486495	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+NH4"	19.041099
"396520"	467.101618	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Na"	22.989218
"761889"	689.157818	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+Na"	22.989218
"1604520"	245.045418	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na"	22.989218
"318929"	234.054447	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H+Na"	23.996494
"711712"	345.082547	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H+Na"	23.996494
"1466262"	123.026347	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+Na"	23.996494
"1054527"	82.3533233333333	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2H+Na"	25.00377
"1258029"	255.089686	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+CH3OH+H"	33.033486
"377979"	483.075558	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+K"	38.963158
"739662"	705.131758	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+K"	38.963158
"1542079"	261.019358	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K"	38.963158
"298810"	242.041417	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+H+K"	39.970434
"691803"	353.069517	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+H+K"	39.970434
"1445864"	131.013317	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+K"	39.970434
"236654"	486.146226	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+ACN+H"	42.033826
"1211551"	264.090026	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+ACN+H"	42.033826
"1203460"	132.548651	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+ACN+2H"	43.041102
"196331"	489.08356	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2Na-H"	44.97116
"640997"	711.13976	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2Na-H"	44.97116
"1139399"	267.02736	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2Na-H"	44.97116
"178316"	245.045418	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2Na"	45.978436
"618238"	356.073518	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2Na"	45.978436
"1122474"	134.017318	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2Na"	45.978436
"1402350"	89.6806373333333	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+2Na"	46.985712
"1433740"	269.068946	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+HCOOH"	47.012746
"223799"	250.07844	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+3H2O+2H"	56.04448
"1513685"	283.12099	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+IsoProp+H"	61.06479
"412643"	253.032388	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+Na+K"	61.952376
"773637"	364.060488	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+Na+K"	61.952376
"1671794"	142.004288	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na+K"	61.952376
"253215"	508.128168	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+ACN+Na"	64.015768
"1231025"	286.071968	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+ACN+Na"	64.015768
"1719912"	286.095493	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+NH4+HCOOH"	64.039293
"1183446"	97.0079513333333	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+3Na"	68.967654
"1655163"	291.050888	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na+HCOOH"	68.994688
"165306"	521.03144	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2K-H"	76.91904
"604866"	743.08764	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2K-H"	76.91904
"1088284"	298.97524	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2K-H"	76.91904
"144008"	261.019358	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"2M+2K"	77.926316
"583199"	372.047458	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"3M+2K"	77.926316
"1069777"	149.991258	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2K"	77.926316
"1108949"	300.989792	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2K+H"	78.933592
"1337073"	301.077407	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+DMSO+H"	79.021207
"1006697"	305.116576	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2ACN+H"	83.060376
"1528712"	306.110208	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+IsoProp+Na+H"	84.054008
"991998"	153.061926	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+2ACN+2H"	84.067652
"1589663"	307.024828	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K+HCOOH"	84.968628
"1415687"	337.056338	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+H+CF3COOH"	115.000138
"1148893"	173.575201	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+3ACN+2H"	125.094202
"1697466"	354.082885	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+NH4+CF3COOH"	132.026685
"1646131"	359.03828	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+Na+CF3COOH"	136.98208
"1577407"	375.01222	"C17215"	"3-(3-Methylthio)propylmalic acid;3-(3-Methylthio)propylmalate"	"C8H14O5S"	"222.0562"	"M+K+CF3COOH"	152.95602
"811052"	176.0507	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M"	0
"981309"	157.03231	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-H2O-H"	-19.01839
"70644"	116.359857333333	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M-3H"	-3.021828
"511301"	175.043424	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M-3H"	-3.021828
"893112"	57.6762906666667	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-3H"	-3.021828
"3303"	175.043424	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M-2H"	-2.014552
"443956"	263.068774	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M-2H"	-2.014552
"820663"	87.018074	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-2H"	-2.014552
"87215"	351.094124	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M-H"	-1.007276
"524588"	527.144824	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M-H"	-1.007276
"905306"	175.043424	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-H"	-1.007276
"54578"	368.120671	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M-2H+NH4"	16.019271
"493045"	544.171371	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M-2H+NH4"	16.019271
"868659"	192.069971	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-2H+NH4"	16.019271
"33278"	373.076066	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M-2H+Na"	20.974666
"476121"	549.126766	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M-2H+Na"	20.974666
"849059"	197.025366	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-2H+Na"	20.974666
"1619121"	197.025366	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Na-2H"	20.974666
"105460"	193.031763	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M-H+Cl"	33.962126
"547940"	281.057113	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M-H+Cl"	33.962126
"940359"	105.006413	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-H+Cl"	33.962126
"279279"	387.070802	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+Cl"	34.969402
"671699"	563.121502	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+Cl"	34.969402
"1283010"	211.020102	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Cl"	34.969402
"26662"	389.050006	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M-2H+K"	36.948606
"466223"	565.100706	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M-2H+K"	36.948606
"844026"	212.999306	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-2H+K"	36.948606
"1568610"	212.999306	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+K-2H"	36.948606
"955399"	221.048894	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-H+HCOOH"	44.998194
"369241"	397.099601	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+HCOOH-H"	44.998201
"352031"	411.115251	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+Hac-H"	59.013851
"1500862"	235.064551	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Hac-H"	59.013851
"969499"	243.030851	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-H+NaCOOH"	66.980151
"117312"	211.020102	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+2Cl"	69.938804
"557967"	299.045452	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+2Cl"	69.938804
"1032234"	122.994752	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2Cl"	69.938804
"1248532"	254.969585	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Br"	78.918885
"1308796"	257.025572	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Cl+HCOOH"	80.974872
"1321919"	279.007529	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Cl+NaCOOH"	102.956829
"925009"	289.036286	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M-H+CF3COOH"	112.985586
"1298435"	325.012964	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Cl+CF3COOH"	148.962264
"1372223"	141.038024	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H-2H2O"	-35.012676
"1388625"	159.048	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H-H2O"	-17.0027
"286126"	353.108676	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+H"	1.007276
"684015"	529.159376	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+H"	1.007276
"1354895"	177.057976	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H"	1.007276
"131066"	177.057976	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+2H"	2.014552
"569533"	265.083326	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+2H"	2.014552
"1039425"	89.032626	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2H"	2.014552
"208421"	118.374409333333	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+3H"	3.021828
"647981"	177.057976	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+3H"	3.021828
"1165016"	59.6908426666667	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+3H"	3.021828
"426466"	370.135223	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+NH4"	18.033823
"793659"	546.185923	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+NH4"	18.033823
"1685617"	194.084523	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+NH4"	18.033823
"337176"	185.5712495	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+H+NH4"	19.041099
"729597"	273.5965995	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+H+NH4"	19.041099
"1483419"	97.5458995	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H+NH4"	19.041099
"399910"	375.090618	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+Na"	22.989218
"758720"	551.141318	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+Na"	22.989218
"1605725"	199.039918	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Na"	22.989218
"317947"	188.048947	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+H+Na"	23.996494
"713645"	276.074297	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+H+Na"	23.996494
"1466374"	100.023597	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H+Na"	23.996494
"1055975"	67.0181566666667	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2H+Na"	25.00377
"1259477"	209.084186	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+CH3OH+H"	33.033486
"378051"	391.064558	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+K"	38.963158
"739085"	567.115258	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+K"	38.963158
"1540975"	215.013858	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+K"	38.963158
"298878"	196.035917	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+H+K"	39.970434
"691542"	284.061267	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+H+K"	39.970434
"1445773"	108.010567	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H+K"	39.970434
"237131"	394.135226	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+ACN+H"	42.033826
"1211419"	218.084526	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+ACN+H"	42.033826
"1204664"	109.545901	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+ACN+2H"	43.041102
"192067"	397.07256	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+2Na-H"	44.97116
"641471"	573.12326	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+2Na-H"	44.97116
"1141696"	221.02186	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2Na-H"	44.97116
"177333"	199.039918	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+2Na"	45.978436
"617256"	287.065268	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+2Na"	45.978436
"1123678"	111.014568	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2Na"	45.978436
"1401004"	74.3454706666667	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H+2Na"	46.985712
"1433850"	223.063446	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H+HCOOH"	47.012746
"227920"	204.07294	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+3H2O+2H"	56.04448
"1514890"	237.11549	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+IsoProp+H"	61.06479
"413483"	207.026888	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+Na+K"	61.952376
"772290"	295.052238	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+Na+K"	61.952376
"1671904"	119.001538	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Na+K"	61.952376
"258430"	416.117168	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+ACN+Na"	64.015768
"1226401"	240.066468	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+ACN+Na"	64.015768
"1714193"	240.089993	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+NH4+HCOOH"	64.039293
"1181735"	81.6727846666667	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+3Na"	68.967654
"1650287"	245.045388	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Na+HCOOH"	68.994688
"165417"	429.02044	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+2K-H"	76.91904
"604977"	605.07114	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+2K-H"	76.91904
"1089489"	252.96974	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2K-H"	76.91904
"146305"	215.013858	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"2M+2K"	77.926316
"582706"	303.039208	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"3M+2K"	77.926316
"1069159"	126.988508	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2K"	77.926316
"1101523"	254.984292	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2K+H"	78.933592
"1345081"	255.071907	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+DMSO+H"	79.021207
"1009603"	259.111076	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2ACN+H"	83.060376
"1528823"	260.104708	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+IsoProp+Na+H"	84.054008
"995268"	130.059176	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+2ACN+2H"	84.067652
"1587829"	261.019328	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+K+HCOOH"	84.968628
"1417985"	291.050838	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+H+CF3COOH"	115.000138
"1147664"	150.572451	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+3ACN+2H"	125.094202
"1699278"	308.077385	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+NH4+CF3COOH"	132.026685
"1642960"	313.03278	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+Na+CF3COOH"	136.98208
"1577517"	329.00672	"C17216"	"2-Oxo-6-methylthiohexanoic acid;6-(Methylthio)-2-oxo-hexanoic acid"	"C7H12O3S"	"176.0507"	"M+K+CF3COOH"	152.95602
"806787"	177.0823	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M"	0
"981419"	158.06391	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-H2O-H"	-19.01839
"68567"	117.047590666667	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M-3H"	-3.021828
"514691"	176.075024	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M-3H"	-3.021828
"893951"	58.0201573333333	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-3H"	-3.021828
"3413"	176.075024	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M-2H"	-2.014552
"447346"	264.616174	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M-2H"	-2.014552
"822959"	87.533874	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-2H"	-2.014552
"87325"	353.157324	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M-H"	-1.007276
"524698"	530.239624	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M-H"	-1.007276
"905781"	176.075024	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-H"	-1.007276
"54687"	370.183871	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M-2H+NH4"	16.019271
"496070"	547.266171	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M-2H+NH4"	16.019271
"872048"	193.101571	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-2H+NH4"	16.019271
"33388"	375.139266	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M-2H+Na"	20.974666
"477323"	552.221566	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M-2H+Na"	20.974666
"849656"	198.056966	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-2H+Na"	20.974666
"1621377"	198.056966	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Na-2H"	20.974666
"104476"	194.063363	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M-H+Cl"	33.962126
"545132"	282.604513	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M-H+Cl"	33.962126
"935366"	105.522213	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-H+Cl"	33.962126
"276108"	389.134002	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+Cl"	34.969402
"666344"	566.216302	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+Cl"	34.969402
"1283121"	212.051702	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Cl"	34.969402
"30176"	391.113206	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M-2H+K"	36.948606
"468519"	568.195506	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M-2H+K"	36.948606
"844866"	214.030906	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-2H+K"	36.948606
"1568720"	214.030906	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+K-2H"	36.948606
"954782"	222.080494	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-H+HCOOH"	44.998194
"370444"	399.162801	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+HCOOH-H"	44.998201
"357606"	413.178451	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+Hac-H"	59.013851
"1497692"	236.096151	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Hac-H"	59.013851
"969607"	244.062451	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-H+NaCOOH"	66.980151
"119607"	212.051702	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+2Cl"	69.938804
"559169"	300.592852	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+2Cl"	69.938804
"1033437"	123.510552	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2Cl"	69.938804
"1249736"	256.001185	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Br"	78.918885
"1308906"	258.057172	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Cl+HCOOH"	80.974872
"1322029"	280.039129	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Cl+NaCOOH"	102.956829
"924391"	290.067886	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M-H+CF3COOH"	112.985586
"1299639"	326.044564	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Cl+CF3COOH"	148.962264
"1375613"	142.069624	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H-2H2O"	-35.012676
"1385455"	160.0796	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H-H2O"	-17.0027
"289516"	355.171876	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+H"	1.007276
"685218"	532.254176	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+H"	1.007276
"1357191"	178.089576	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H"	1.007276
"132269"	178.089576	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+2H"	2.014552
"571829"	266.630726	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+2H"	2.014552
"1045003"	89.548426	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2H"	2.014552
"211811"	119.062142666667	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+3H"	3.021828
"646267"	178.089576	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+3H"	3.021828
"1163666"	60.0347093333333	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+3H"	3.021828
"424753"	372.198423	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+NH4"	18.033823
"792674"	549.280723	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+NH4"	18.033823
"1689006"	195.116123	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+NH4"	18.033823
"336192"	186.6028495	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+H+NH4"	19.041099
"730799"	275.1439995	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+H+NH4"	19.041099
"1480248"	98.0616995	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H+NH4"	19.041099
"401114"	377.153818	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+Na"	22.989218
"756642"	554.236118	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+Na"	22.989218
"1608022"	200.071518	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Na"	22.989218
"317327"	189.080547	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+H+Na"	23.996494
"711569"	277.621697	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+H+Na"	23.996494
"1468670"	100.539397	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H+Na"	23.996494
"1055356"	67.3620233333333	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2H+Na"	25.00377
"1260316"	210.115786	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+CH3OH+H"	33.033486
"378281"	393.127758	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+K"	38.963158
"739155"	570.210058	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+K"	38.963158
"1542300"	216.045458	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+K"	38.963158
"299233"	197.067517	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+H+K"	39.970434
"692630"	285.608667	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+H+K"	39.970434
"1448639"	108.526367	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H+K"	39.970434
"239427"	396.198426	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+ACN+H"	42.033826
"1213595"	219.116126	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+ACN+H"	42.033826
"1201493"	110.061701	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+ACN+2H"	43.041102
"189989"	399.13576	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+2Na-H"	44.97116
"639393"	576.21806	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+2Na-H"	44.97116
"1144723"	222.05346	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2Na-H"	44.97116
"180723"	200.071518	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+2Na"	45.978436
"623563"	288.612668	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+2Na"	45.978436
"1119413"	111.530368	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2Na"	45.978436
"1400748"	74.6893373333333	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H+2Na"	46.985712
"1433231"	224.095046	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H+HCOOH"	47.012746
"229125"	205.10454	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+3H2O+2H"	56.04448
"1513906"	238.14709	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+IsoProp+H"	61.06479
"413593"	208.058488	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+Na+K"	61.952376
"772766"	296.599638	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+Na+K"	61.952376
"1672014"	119.517338	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Na+K"	61.952376
"254526"	418.180368	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+ACN+Na"	64.015768
"1233433"	241.098068	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+ACN+Na"	64.015768
"1717945"	241.121593	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+NH4+HCOOH"	64.039293
"1181480"	82.0166513333333	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+3Na"	68.967654
"1655745"	246.076988	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Na+HCOOH"	68.994688
"163338"	431.08364	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+2K-H"	76.91904
"602898"	608.16594	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+2K-H"	76.91904
"1090691"	254.00134	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2K-H"	76.91904
"143256"	216.045458	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"2M+2K"	77.926316
"581719"	304.586608	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"3M+2K"	77.926316
"1068523"	127.504308	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2K"	77.926316
"1101512"	256.015892	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2K+H"	78.933592
"1342273"	256.103507	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+DMSO+H"	79.021207
"1009714"	260.142676	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2ACN+H"	83.060376
"1526018"	261.136308	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+IsoProp+Na+H"	84.054008
"992099"	130.574976	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+2ACN+2H"	84.067652
"1588547"	262.050928	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+K+HCOOH"	84.968628
"1418095"	292.082438	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+H+CF3COOH"	115.000138
"1147893"	151.088251	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+3ACN+2H"	125.094202
"1698659"	309.108985	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+NH4+CF3COOH"	132.026685
"1643070"	314.06438	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+Na+CF3COOH"	136.98208
"1577627"	330.03832	"C17217"	"Dihomomethionine"	"C7H15NO2S"	"177.0823"	"M+K+CF3COOH"	152.95602
"805804"	236.0718	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M"	0
"983716"	217.05341	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H2O-H"	-19.01839
"68677"	156.373924	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-3H"	-3.021828
"515533"	235.064524	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-3H"	-3.021828
"892602"	77.683324	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-3H"	-3.021828
"5707"	235.064524	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H"	-2.014552
"446362"	353.100424	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H"	-2.014552
"823069"	117.028624	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H"	-2.014552
"85248"	471.136324	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-H"	-1.007276
"525901"	707.208124	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-H"	-1.007276
"902610"	235.064524	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H"	-1.007276
"54797"	488.162871	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H+NH4"	16.019271
"497637"	724.234671	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H+NH4"	16.019271
"871065"	252.091071	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H+NH4"	16.019271
"33498"	493.118266	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H+Na"	20.974666
"476339"	729.190066	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H+Na"	20.974666
"849766"	257.046466	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H+Na"	20.974666
"1619664"	257.046466	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na-2H"	20.974666
"103490"	253.052863	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-H+Cl"	33.962126
"541961"	371.088763	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-H+Cl"	33.962126
"935474"	135.016963	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+Cl"	33.962126
"275124"	507.113002	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Cl"	34.969402
"666449"	743.184802	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+Cl"	34.969402
"1278857"	271.041202	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl"	34.969402
"24695"	509.092206	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H+K"	36.948606
"463161"	745.164006	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H+K"	36.948606
"842059"	273.020406	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H+K"	36.948606
"1568463"	273.020406	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K-2H"	36.948606
"953432"	281.069994	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+HCOOH"	44.998194
"375292"	517.141801	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+HCOOH-H"	44.998201
"356622"	531.157451	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Hac-H"	59.013851
"1495613"	295.085651	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Hac-H"	59.013851
"967529"	303.051951	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+NaCOOH"	66.980151
"116437"	271.041202	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2Cl"	69.938804
"560372"	389.077102	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2Cl"	69.938804
"1029173"	153.005302	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2Cl"	69.938804
"1249846"	314.990685	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Br"	78.918885
"1304761"	317.046672	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl+HCOOH"	80.974872
"1322138"	339.028629	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl+NaCOOH"	102.956829
"921949"	349.057386	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+CF3COOH"	112.985586
"1298657"	385.034064	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl+CF3COOH"	148.962264
"1373536"	201.059124	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H-2H2O"	-35.012676
"1385565"	219.0691	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H-H2O"	-17.0027
"289626"	473.150876	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H"	1.007276
"687515"	709.222676	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H"	1.007276
"1356208"	237.079076	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H"	1.007276
"133472"	237.079076	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2H"	2.014552
"571939"	355.114976	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2H"	2.014552
"1044020"	119.043176	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2H"	2.014552
"209735"	158.388476	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+3H"	3.021828
"647106"	237.079076	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+3H"	3.021828
"1164140"	79.697876	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+3H"	3.021828
"424737"	490.177423	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+NH4"	18.033823
"788409"	726.249223	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+NH4"	18.033823
"1684742"	254.105623	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+NH4"	18.033823
"334114"	245.5923495	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H+NH4"	19.041099
"727630"	363.6282495	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H+NH4"	19.041099
"1481451"	127.5564495	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+NH4"	19.041099
"396849"	495.132818	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Na"	22.989218
"756751"	731.204618	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+Na"	22.989218
"1607038"	259.061018	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na"	22.989218
"317073"	248.070047	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H+Na"	23.996494
"709127"	366.105947	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H+Na"	23.996494
"1463676"	130.034147	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+Na"	23.996494
"1053279"	87.02519	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2H+Na"	25.00377
"1257665"	269.105286	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+CH3OH+H"	33.033486
"377536"	511.106758	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+K"	38.963158
"739259"	747.178558	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+K"	38.963158
"1540584"	275.034958	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K"	38.963158
"298978"	256.057017	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H+K"	39.970434
"691600"	374.092917	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H+K"	39.970434
"1446681"	138.021117	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+K"	39.970434
"238080"	514.177426	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+ACN+H"	42.033826
"1213340"	278.105626	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+ACN+H"	42.033826
"1201603"	139.556451	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+ACN+2H"	43.041102
"192647"	517.11476	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2Na-H"	44.97116
"636222"	753.18656	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2Na-H"	44.97116
"1145441"	281.04296	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2Na-H"	44.97116
"185936"	259.061018	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2Na"	45.978436
"624766"	377.096918	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2Na"	45.978436
"1120251"	141.025118	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2Na"	45.978436
"1400494"	94.352504	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+2Na"	46.985712
"1434070"	283.084546	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+HCOOH"	47.012746
"228142"	264.09404	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+3H2O+2H"	56.04448
"1518391"	297.13659	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+IsoProp+H"	61.06479
"412610"	267.047988	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Na+K"	61.952376
"773240"	385.083888	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+Na+K"	61.952376
"1672124"	149.012088	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na+K"	61.952376
"253906"	536.159368	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+ACN+Na"	64.015768
"1229531"	300.087568	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+ACN+Na"	64.015768
"1718055"	300.111093	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+NH4+HCOOH"	64.039293
"1184505"	101.679818	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+3Na"	68.967654
"1655491"	305.066488	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na+HCOOH"	68.994688
"161989"	549.06264	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2K-H"	76.91904
"603008"	785.13444	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2K-H"	76.91904
"1090801"	312.99084	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2K-H"	76.91904
"148710"	275.034958	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2K"	77.926316
"582926"	393.070858	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2K"	77.926316
"1069056"	156.999058	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2K"	77.926316
"1102715"	315.005392	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2K+H"	78.933592
"1342383"	315.093007	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+DMSO+H"	79.021207
"1013104"	319.132176	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2ACN+H"	83.060376
"1529044"	320.125808	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+IsoProp+Na+H"	84.054008
"994395"	160.069726	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2ACN+2H"	84.067652
"1588414"	321.040428	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K+HCOOH"	84.968628
"1416747"	351.071938	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+CF3COOH"	115.000138
"1150317"	180.583001	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+3ACN+2H"	125.094202
"1698771"	368.098485	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+NH4+CF3COOH"	132.026685
"1643180"	373.05388	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na+CF3COOH"	136.98208
"1577737"	389.02782	"C17218"	"2-(4-Methylthio)butylmalic acid;2-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K+CF3COOH"	152.95602
"804821"	236.0718	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M"	0
"984918"	217.05341	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H2O-H"	-19.01839
"67694"	156.373924	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-3H"	-3.021828
"518153"	235.064524	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-3H"	-3.021828
"892712"	77.683324	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-3H"	-3.021828
"3631"	235.064524	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H"	-2.014552
"444285"	353.100424	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H"	-2.014552
"823179"	117.028624	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H"	-2.014552
"84265"	471.136324	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-H"	-1.007276
"524918"	707.208124	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-H"	-1.007276
"902721"	235.064524	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H"	-1.007276
"53815"	488.162871	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H+NH4"	16.019271
"492281"	724.234671	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H+NH4"	16.019271
"870084"	252.091071	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H+NH4"	16.019271
"37984"	493.118266	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H+Na"	20.974666
"476814"	729.190066	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H+Na"	20.974666
"853522"	257.046466	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H+Na"	20.974666
"1619166"	257.046466	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na-2H"	20.974666
"103599"	253.052863	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-H+Cl"	33.962126
"540975"	371.088763	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-H+Cl"	33.962126
"935584"	135.016963	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+Cl"	33.962126
"276327"	507.113002	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Cl"	34.969402
"665466"	743.184802	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+Cl"	34.969402
"1278967"	271.041202	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl"	34.969402
"25898"	509.092206	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M-2H+K"	36.948606
"461084"	745.164006	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M-2H+K"	36.948606
"842169"	273.020406	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-2H+K"	36.948606
"1571004"	273.020406	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K-2H"	36.948606
"954636"	281.069994	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+HCOOH"	44.998194
"375037"	517.141801	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+HCOOH-H"	44.998201
"352360"	531.157451	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Hac-H"	59.013851
"1497912"	295.085651	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Hac-H"	59.013851
"967640"	303.051951	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+NaCOOH"	66.980151
"116548"	271.041202	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2Cl"	69.938804
"559391"	389.077102	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2Cl"	69.938804
"1029283"	153.005302	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2Cl"	69.938804
"1249956"	314.990685	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Br"	78.918885
"1305479"	317.046672	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl+HCOOH"	80.974872
"1321153"	339.028629	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl+NaCOOH"	102.956829
"916591"	349.057386	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M-H+CF3COOH"	112.985586
"1293299"	385.034064	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Cl+CF3COOH"	148.962264
"1370728"	201.059124	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H-2H2O"	-35.012676
"1388954"	219.0691	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H-H2O"	-17.0027
"284025"	473.150876	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H"	1.007276
"685439"	709.222676	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H"	1.007276
"1356318"	237.079076	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H"	1.007276
"135771"	237.079076	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2H"	2.014552
"568405"	355.114976	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2H"	2.014552
"1045223"	119.043176	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2H"	2.014552
"206198"	158.388476	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+3H"	3.021828
"646488"	237.079076	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+3H"	3.021828
"1163518"	79.697876	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+3H"	3.021828
"425574"	490.177423	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+NH4"	18.033823
"789248"	726.249223	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+NH4"	18.033823
"1687039"	254.105623	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+NH4"	18.033823
"335318"	245.5923495	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H+NH4"	19.041099
"727741"	363.6282495	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H+NH4"	19.041099
"1484840"	127.5564495	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+NH4"	19.041099
"396958"	495.132818	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Na"	22.989218
"756861"	731.204618	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+Na"	22.989218
"1608242"	259.061018	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na"	22.989218
"317184"	248.070047	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H+Na"	23.996494
"709237"	366.105947	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H+Na"	23.996494
"1463420"	130.034147	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+Na"	23.996494
"1054114"	87.02519	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2H+Na"	25.00377
"1257611"	269.105286	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+CH3OH+H"	33.033486
"377885"	511.106758	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+K"	38.963158
"739489"	747.178558	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+K"	38.963158
"1540129"	275.034958	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K"	38.963158
"299083"	256.057017	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+H+K"	39.970434
"693945"	374.092917	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+H+K"	39.970434
"1447400"	138.021117	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+K"	39.970434
"237461"	514.177426	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+ACN+H"	42.033826
"1214909"	278.105626	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+ACN+H"	42.033826
"1201713"	139.556451	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+ACN+2H"	43.041102
"191300"	517.11476	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2Na-H"	44.97116
"632684"	753.18656	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2Na-H"	44.97116
"1145430"	281.04296	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2Na-H"	44.97116
"185317"	259.061018	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2Na"	45.978436
"622688"	377.096918	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2Na"	45.978436
"1125102"	141.025118	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2Na"	45.978436
"1400238"	94.352504	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+2Na"	46.985712
"1433085"	283.084546	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+HCOOH"	47.012746
"222784"	264.09404	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+3H2O+2H"	56.04448
"1512304"	297.13659	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+IsoProp+H"	61.06479
"410897"	267.047988	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+Na+K"	61.952376
"771525"	385.083888	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+Na+K"	61.952376
"1666036"	149.012088	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na+K"	61.952376
"251945"	536.159368	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+ACN+Na"	64.015768
"1226360"	300.087568	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+ACN+Na"	64.015768
"1718529"	300.111093	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+NH4+HCOOH"	64.039293
"1183520"	101.679818	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+3Na"	68.967654
"1654869"	305.066488	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na+HCOOH"	68.994688
"161371"	549.06264	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2K-H"	76.91904
"600203"	785.13444	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2K-H"	76.91904
"1086173"	312.99084	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2K-H"	76.91904
"148821"	275.034958	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"2M+2K"	77.926316
"592754"	393.070858	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"3M+2K"	77.926316
"1073986"	156.999058	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2K"	77.926316
"1102212"	315.005392	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2K+H"	78.933592
"1342493"	315.093007	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+DMSO+H"	79.021207
"1017952"	319.132176	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2ACN+H"	83.060376
"1532431"	320.125808	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+IsoProp+Na+H"	84.054008
"993412"	160.069726	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+2ACN+2H"	84.067652
"1596663"	321.040428	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K+HCOOH"	84.968628
"1419043"	351.071938	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+H+CF3COOH"	115.000138
"1147876"	180.583001	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+3ACN+2H"	125.094202
"1701067"	368.098485	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+NH4+CF3COOH"	132.026685
"1643290"	373.05388	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+Na+CF3COOH"	136.98208
"1577847"	389.02782	"C17219"	"3-(4-Methylthio)butylmalic acid;3-(4-Methylthio)butylmalate"	"C9H16O5S"	"236.0718"	"M+K+CF3COOH"	152.95602
"804931"	190.0664	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M"	0
"978468"	171.04801	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-H2O-H"	-19.01839
"67804"	125.703657333333	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M-3H"	-3.021828
"513930"	189.059124	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M-3H"	-3.021828
"891731"	62.3481906666667	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-3H"	-3.021828
"10302"	189.059124	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M-2H"	-2.014552
"444396"	284.092324	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M-2H"	-2.014552
"827663"	94.025924	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-2H"	-2.014552
"84375"	379.125524	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M-H"	-1.007276
"525028"	569.191924	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M-H"	-1.007276
"900644"	189.059124	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-H"	-1.007276
"56113"	396.152071	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M-2H+NH4"	16.019271
"494580"	586.218471	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M-2H+NH4"	16.019271
"872381"	206.085671	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-2H+NH4"	16.019271
"40282"	401.107466	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M-2H+Na"	20.974666
"482030"	591.173866	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M-2H+Na"	20.974666
"854363"	211.041066	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-2H+Na"	20.974666
"1618621"	211.041066	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Na-2H"	20.974666
"99336"	207.047463	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M-H+Cl"	33.962126
"541089"	302.080663	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M-H+Cl"	33.962126
"935694"	112.014263	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-H+Cl"	33.962126
"278625"	415.102202	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+Cl"	34.969402
"665580"	605.168602	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+Cl"	34.969402
"1282358"	225.035802	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Cl"	34.969402
"22727"	417.081406	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M-2H+K"	36.948606
"463381"	607.147806	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M-2H+K"	36.948606
"844463"	227.015006	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-2H+K"	36.948606
"1567955"	227.015006	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+K-2H"	36.948606
"955840"	235.064594	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-H+HCOOH"	44.998194
"370773"	425.131001	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+HCOOH-H"	44.998201
"350281"	439.146651	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+Hac-H"	59.013851
"1504585"	249.080251	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Hac-H"	59.013851
"967750"	257.046551	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-H+NaCOOH"	66.980151
"116658"	225.035802	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+2Cl"	69.938804
"560594"	320.069002	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+2Cl"	69.938804
"1031580"	130.002602	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2Cl"	69.938804
"1247880"	268.985285	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Br"	78.918885
"1307049"	271.041272	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Cl+HCOOH"	80.974872
"1322722"	293.023229	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Cl+NaCOOH"	102.956829
"915607"	303.051986	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M-H+CF3COOH"	112.985586
"1293410"	339.028664	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Cl+CF3COOH"	148.962264
"1369384"	155.053724	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H-2H2O"	-35.012676
"1384692"	173.0637	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H-H2O"	-17.0027
"286565"	381.140076	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+H"	1.007276
"683362"	571.206476	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+H"	1.007276
"1356428"	191.073676	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H"	1.007276
"130413"	191.073676	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+2H"	2.014552
"572525"	286.106876	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+2H"	2.014552
"1044239"	96.040476	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2H"	2.014552
"211412"	127.718209333333	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+3H"	3.021828
"646598"	191.073676	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+3H"	3.021828
"1166184"	64.3627426666667	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+3H"	3.021828
"424717"	398.166623	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+NH4"	18.033823
"790819"	588.233023	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+NH4"	18.033823
"1689336"	208.100223	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+NH4"	18.033823
"335429"	199.5869495	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+H+NH4"	19.041099
"732223"	294.6201495	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+H+NH4"	19.041099
"1487137"	104.5537495	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H+NH4"	19.041099
"398165"	403.122018	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+Na"	22.989218
"761345"	593.188418	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+Na"	22.989218
"1607258"	213.055618	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Na"	22.989218
"321666"	202.064647	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+H+Na"	23.996494
"709712"	297.097847	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+H+Na"	23.996494
"1465720"	107.031447	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H+Na"	23.996494
"1054592"	71.6900566666667	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2H+Na"	25.00377
"1258822"	223.099886	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+CH3OH+H"	33.033486
"377636"	419.095958	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+K"	38.963158
"739851"	609.162358	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+K"	38.963158
"1542270"	229.029558	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+K"	38.963158
"298550"	210.051617	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+H+K"	39.970434
"694419"	305.084817	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+H+K"	39.970434
"1448975"	115.018417	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H+K"	39.970434
"244138"	422.166626	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+ACN+H"	42.033826
"1213565"	232.100226	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+ACN+H"	42.033826
"1209564"	116.553751	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+ACN+2H"	43.041102
"201255"	425.10396	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+2Na-H"	44.97116
"640816"	615.17036	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+2Na-H"	44.97116
"1146148"	235.03756	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2Na-H"	44.97116
"186521"	213.055618	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+2Na"	45.978436
"628195"	308.088818	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+2Na"	45.978436
"1129954"	118.022418	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2Na"	45.978436
"1402175"	79.0173706666667	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H+2Na"	46.985712
"1436476"	237.079146	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H+HCOOH"	47.012746
"226175"	218.08864	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+3H2O+2H"	56.04448
"1515331"	251.13119	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+IsoProp+H"	61.06479
"411007"	221.042588	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+Na+K"	61.952376
"770907"	316.075788	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+Na+K"	61.952376
"1666510"	126.009388	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Na+K"	61.952376
"255584"	444.148568	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+ACN+Na"	64.015768
"1231577"	254.082168	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+ACN+Na"	64.015768
"1717181"	254.105693	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+NH4+HCOOH"	64.039293
"1182901"	86.3446846666667	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+3Na"	68.967654
"1654619"	259.061088	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Na+HCOOH"	68.994688
"160388"	457.05184	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+2K-H"	76.91904
"602136"	647.11824	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+2K-H"	76.91904
"1086281"	266.98544	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2K-H"	76.91904
"144557"	229.029558	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"2M+2K"	77.926316
"585211"	324.062758	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"3M+2K"	77.926316
"1076283"	133.996358	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2K"	77.926316
"1102930"	268.999992	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2K+H"	78.933592
"1336765"	269.087607	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+DMSO+H"	79.021207
"1006754"	273.126776	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2ACN+H"	83.060376
"1527067"	274.120408	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+IsoProp+Na+H"	84.054008
"996801"	137.067026	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+2ACN+2H"	84.067652
"1590213"	275.035028	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+K+HCOOH"	84.968628
"1414456"	305.066538	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+H+CF3COOH"	115.000138
"1147980"	157.580301	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+3ACN+2H"	125.094202
"1699720"	322.093085	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+NH4+CF3COOH"	132.026685
"1646680"	327.04848	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+Na+CF3COOH"	136.98208
"1577956"	343.02242	"C17220"	"2-Oxo-7-methylthioheptanoic acid;7-(Methylthio)-2-oxo-heptanoic acid"	"C8H14O3S"	"190.0664"	"M+K+CF3COOH"	152.95602
"811602"	191.098	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M"	0
"978578"	172.07961	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-H2O-H"	-19.01839
"69007"	126.391390666667	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M-3H"	-3.021828
"515133"	190.090724	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M-3H"	-3.021828
"894028"	62.6920573333333	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-3H"	-3.021828
"12234"	190.090724	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M-2H"	-2.014552
"445597"	285.639724	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M-2H"	-2.014552
"824493"	94.541724	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-2H"	-2.014552
"91046"	381.188724	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M-H"	-1.007276
"531578"	572.286724	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M-H"	-1.007276
"902942"	190.090724	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-H"	-1.007276
"59504"	398.215271	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M-2H+NH4"	16.019271
"496876"	589.313271	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M-2H+NH4"	16.019271
"874679"	207.117271	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-2H+NH4"	16.019271
"43673"	403.170666	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M-2H+Na"	20.974666
"483963"	594.268666	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M-2H+Na"	20.974666
"856661"	212.072666	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-2H+Na"	20.974666
"1618696"	212.072666	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Na-2H"	20.974666
"102724"	208.079063	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M-H+Cl"	33.962126
"545572"	303.628063	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M-H+Cl"	33.962126
"934713"	112.530063	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-H+Cl"	33.962126
"272177"	417.165402	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+Cl"	34.969402
"668972"	608.263402	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+Cl"	34.969402
"1285749"	226.067402	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Cl"	34.969402
"22838"	419.144606	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M-2H+K"	36.948606
"463492"	610.242606	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M-2H+K"	36.948606
"839106"	228.046606	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-2H+K"	36.948606
"1565878"	228.046606	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+K-2H"	36.948606
"955950"	236.096194	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-H+HCOOH"	44.998194
"368696"	427.194201	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+HCOOH-H"	44.998201
"355861"	441.209851	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+Hac-H"	59.013851
"1505424"	250.111851	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Hac-H"	59.013851
"971140"	258.078151	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-H+NaCOOH"	66.980151
"116768"	226.067402	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+2Cl"	69.938804
"562890"	321.616402	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+2Cl"	69.938804
"1031689"	130.518402	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2Cl"	69.938804
"1245804"	270.016885	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Br"	78.918885
"1309347"	272.072872	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Cl+HCOOH"	80.974872
"1325748"	294.054829	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Cl+NaCOOH"	102.956829
"914624"	304.083586	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M-H+CF3COOH"	112.985586
"1294613"	340.060264	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Cl+CF3COOH"	148.962264
"1371680"	156.085324	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H-2H2O"	-35.012676
"1383018"	174.0953	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H-H2O"	-17.0027
"286677"	383.203276	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+H"	1.007276
"684566"	574.301276	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+H"	1.007276
"1357633"	192.105276	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H"	1.007276
"134898"	192.105276	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+2H"	2.014552
"576645"	287.654276	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+2H"	2.014552
"1040705"	96.556276	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2H"	2.014552
"217718"	128.405942666667	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+3H"	3.021828
"646706"	192.105276	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+3H"	3.021828
"1167755"	64.7066093333333	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+3H"	3.021828
"428473"	400.229823	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+NH4"	18.033823
"794211"	591.327823	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+NH4"	18.033823
"1687262"	209.131823	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+NH4"	18.033823
"336631"	200.6185495	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+H+NH4"	19.041099
"731240"	296.1675495	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+H+NH4"	19.041099
"1486154"	105.0695495	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H+NH4"	19.041099
"398275"	405.185218	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+Na"	22.989218
"763643"	596.283218	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+Na"	22.989218
"1608462"	214.087218	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Na"	22.989218
"322870"	203.096247	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+H+Na"	23.996494
"708728"	298.645247	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+H+Na"	23.996494
"1466923"	107.547247	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H+Na"	23.996494
"1054702"	72.0339233333333	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2H+Na"	25.00377
"1257476"	224.131486	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+CH3OH+H"	33.033486
"378238"	421.159158	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+K"	38.963158
"739597"	612.257158	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+K"	38.963158
"1541288"	230.061158	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+K"	38.963158
"302838"	211.083217	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+H+K"	39.970434
"696355"	306.632217	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+H+K"	39.970434
"1454553"	115.534217	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H+K"	39.970434
"244248"	424.229826	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+ACN+H"	42.033826
"1223153"	233.131826	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+ACN+H"	42.033826
"1207283"	117.069551	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+ACN+2H"	43.041102
"201366"	427.16716	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+2Na-H"	44.97116
"642507"	618.26516	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+2Na-H"	44.97116
"1144920"	236.06916	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2Na-H"	44.97116
"184444"	214.087218	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+2Na"	45.978436
"621818"	309.636218	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+2Na"	45.978436
"1124228"	118.538218	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2Na"	45.978436
"1409936"	79.3612373333333	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H+2Na"	46.985712
"1440595"	238.110746	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H+HCOOH"	47.012746
"226285"	219.12024	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+3H2O+2H"	56.04448
"1515441"	252.16279	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+IsoProp+H"	61.06479
"412574"	222.074188	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+Na+K"	61.952376
"770653"	317.623188	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+Na+K"	61.952376
"1666620"	126.525188	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Na+K"	61.952376
"257153"	446.211768	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+ACN+Na"	64.015768
"1230956"	255.113768	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+ACN+Na"	64.015768
"1716562"	255.137293	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+NH4+HCOOH"	64.039293
"1183376"	86.6885513333333	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+3Na"	68.967654
"1653999"	260.092688	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Na+HCOOH"	68.994688
"162687"	459.11504	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+2K-H"	76.91904
"602246"	650.21304	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+2K-H"	76.91904
"1085056"	268.01704	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2K-H"	76.91904
"143570"	230.061158	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"2M+2K"	77.926316
"582524"	325.610158	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"3M+2K"	77.926316
"1074206"	134.512158	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2K"	77.926316
"1100244"	270.031592	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2K+H"	78.933592
"1336146"	270.119207	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+DMSO+H"	79.021207
"1006985"	274.158376	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2ACN+H"	83.060376
"1525355"	275.152008	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+IsoProp+Na+H"	84.054008
"998004"	137.582826	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+2ACN+2H"	84.067652
"1593603"	276.066628	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+K+HCOOH"	84.968628
"1417079"	306.098138	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+H+CF3COOH"	115.000138
"1150643"	158.096101	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+3ACN+2H"	125.094202
"1700195"	323.124685	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+NH4+CF3COOH"	132.026685
"1640228"	328.08008	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+Na+CF3COOH"	136.98208
"1578066"	344.05402	"C17221"	"Trihomomethionine;2-Amino-7-(methylsulfanyl)heptanoic acid"	"C8H17NO2S"	"191.098"	"M+K+CF3COOH"	152.95602
"815725"	250.0875	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M"	0
"976500"	231.06911	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H2O-H"	-19.01839
"68024"	165.717724	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-3H"	-3.021828
"511959"	249.080224	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-3H"	-3.021828
"891951"	82.355224	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-3H"	-3.021828
"7244"	249.080224	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H"	-2.014552
"446803"	374.123974	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H"	-2.014552
"827883"	124.036474	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H"	-2.014552
"85689"	499.167724	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-H"	-1.007276
"531689"	749.255224	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-H"	-1.007276
"906333"	249.080224	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H"	-1.007276
"60834"	516.194271	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H+NH4"	16.019271
"500516"	766.281771	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H+NH4"	16.019271
"874790"	266.106771	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H+NH4"	16.019271
"43424"	521.149666	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H+Na"	20.974666
"484437"	771.237166	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H+Na"	20.974666
"857864"	271.062166	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H+Na"	20.974666
"1625210"	271.062166	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na-2H"	20.974666
"102834"	267.068563	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-H+Cl"	33.962126
"545681"	392.112313	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-H+Cl"	33.962126
"930082"	142.024813	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+Cl"	33.962126
"275566"	535.144402	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Cl"	34.969402
"665802"	785.231902	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+Cl"	34.969402
"1279298"	285.056902	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl"	34.969402
"22949"	537.123606	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H+K"	36.948606
"463602"	787.211106	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H+K"	36.948606
"838124"	287.036106	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H+K"	36.948606
"1561612"	287.036106	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K-2H"	36.948606
"954964"	295.085694	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+HCOOH"	44.998194
"373182"	545.173201	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+HCOOH-H"	44.998201
"353785"	559.188851	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Hac-H"	59.013851
"1505901"	309.101351	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Hac-H"	59.013851
"971255"	317.067651	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+NaCOOH"	66.980151
"124532"	285.056902	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2Cl"	69.938804
"561905"	410.100652	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2Cl"	69.938804
"1030705"	160.013152	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2Cl"	69.938804
"1252474"	329.006385	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Br"	78.918885
"1314924"	331.062372	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl+HCOOH"	80.974872
"1329140"	353.044329	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl+NaCOOH"	102.956829
"913641"	363.073086	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+CF3COOH"	112.985586
"1295816"	399.049764	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl+CF3COOH"	148.962264
"1376165"	215.074824	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H-2H2O"	-35.012676
"1384182"	233.0848	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H-H2O"	-17.0027
"287880"	501.182276	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H"	1.007276
"680302"	751.269776	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H"	1.007276
"1352641"	251.094776	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H"	1.007276
"137194"	251.094776	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2H"	2.014552
"568734"	376.138526	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2H"	2.014552
"1040451"	126.051026	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2H"	2.014552
"206894"	167.732276	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+3H"	3.021828
"647183"	251.094776	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+3H"	3.021828
"1167865"	84.369776	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+3H"	3.021828
"427489"	518.208823	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+NH4"	18.033823
"794321"	768.296323	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+NH4"	18.033823
"1687372"	268.121323	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+NH4"	18.033823
"333829"	259.6080495	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H+NH4"	19.041099
"729167"	384.6517995	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H+NH4"	19.041099
"1481893"	134.5642995	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+NH4"	19.041099
"398385"	523.164218	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Na"	22.989218
"764847"	773.251718	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+Na"	22.989218
"1610759"	273.076718	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na"	22.989218
"314961"	262.085747	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H+Na"	23.996494
"707991"	387.129497	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H+Na"	23.996494
"1462905"	137.041997	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+Na"	23.996494
"1054817"	91.69709	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2H+Na"	25.00377
"1258680"	283.120986	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+CH3OH+H"	33.033486
"378228"	539.138158	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+K"	38.963158
"739711"	789.225658	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+K"	38.963158
"1541765"	289.050658	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K"	38.963158
"301858"	270.072717	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H+K"	39.970434
"696470"	395.116467	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H+K"	39.970434
"1458675"	145.028967	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+K"	39.970434
"248008"	542.208826	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+ACN+H"	42.033826
"1220350"	292.121326	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+ACN+H"	42.033826
"1206423"	146.564301	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+ACN+2H"	43.041102
"202696"	545.14616	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2Na-H"	44.97116
"642131"	795.23366	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2Na-H"	44.97116
"1144545"	295.05866	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2Na-H"	44.97116
"184556"	273.076718	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2Na"	45.978436
"619743"	398.120468	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2Na"	45.978436
"1125434"	148.032968	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2Na"	45.978436
"1408956"	99.024404	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+2Na"	46.985712
"1439977"	297.100246	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+HCOOH"	47.012746
"232594"	278.10974	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+3H2O+2H"	56.04448
"1517738"	311.15229	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+IsoProp+H"	61.06479
"413779"	281.063688	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Na+K"	61.952376
"774045"	406.107438	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+Na+K"	61.952376
"1672200"	156.019938	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na+K"	61.952376
"255808"	564.190768	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+ACN+Na"	64.015768
"1231800"	314.103268	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+ACN+Na"	64.015768
"1718132"	314.126793	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+NH4+HCOOH"	64.039293
"1183854"	106.351718	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+3Na"	68.967654
"1654842"	319.082188	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na+HCOOH"	68.994688
"166078"	577.09404	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2K-H"	76.91904
"605637"	827.18154	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2K-H"	76.91904
"1085047"	327.00654	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2K-H"	76.91904
"143685"	289.050658	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2K"	77.926316
"587620"	414.094408	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2K"	77.926316
"1069578"	164.006908	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2K"	77.926316
"1106434"	329.021092	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2K+H"	78.933592
"1342456"	329.108707	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+DMSO+H"	79.021207
"1008072"	333.147876	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2ACN+H"	83.060376
"1534944"	334.141508	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+IsoProp+Na+H"	84.054008
"995927"	167.077576	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2ACN+2H"	84.067652
"1591522"	335.056128	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K+HCOOH"	84.968628
"1418278"	365.087638	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+CF3COOH"	115.000138
"1148933"	187.590851	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+3ACN+2H"	125.094202
"1698847"	382.114185	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+NH4+CF3COOH"	132.026685
"1646901"	387.06958	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na+CF3COOH"	136.98208
"1578177"	403.04352	"C17222"	"2-(5-Methylthio)pentylmalic acid;2-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K+CF3COOH"	152.95602
"808541"	250.0875	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M"	0
"977703"	231.06911	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H2O-H"	-19.01839
"68134"	165.717724	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-3H"	-3.021828
"512069"	249.080224	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-3H"	-3.021828
"893154"	82.355224	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-3H"	-3.021828
"10634"	249.080224	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H"	-2.014552
"448006"	374.123974	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H"	-2.014552
"825807"	124.036474	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H"	-2.014552
"86892"	499.167724	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-H"	-1.007276
"531920"	749.255224	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-H"	-1.007276
"907537"	249.080224	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H"	-1.007276
"61428"	516.194271	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H+NH4"	16.019271
"501354"	766.281771	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H+NH4"	16.019271
"875995"	266.106771	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H+NH4"	16.019271
"45722"	521.149666	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H+Na"	20.974666
"483454"	771.237166	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H+Na"	20.974666
"861255"	271.062166	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H+Na"	20.974666
"1627509"	271.062166	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na-2H"	20.974666
"101854"	267.068563	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-H+Cl"	33.962126
"541418"	392.112313	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-H+Cl"	33.962126
"927127"	142.024813	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+Cl"	33.962126
"273489"	535.144402	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Cl"	34.969402
"660687"	785.231902	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+Cl"	34.969402
"1279408"	285.056902	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl"	34.969402
"23058"	537.123606	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M-2H+K"	36.948606
"461525"	787.211106	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M-2H+K"	36.948606
"837139"	287.036106	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-2H+K"	36.948606
"1560628"	287.036106	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K-2H"	36.948606
"949605"	295.085694	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+HCOOH"	44.998194
"366730"	545.173201	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+HCOOH-H"	44.998201
"352802"	559.188851	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Hac-H"	59.013851
"1506376"	309.101351	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Hac-H"	59.013851
"971000"	317.067651	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+NaCOOH"	66.980151
"124279"	285.056902	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2Cl"	69.938804
"565296"	410.100652	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2Cl"	69.938804
"1036773"	160.013152	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2Cl"	69.938804
"1252584"	329.006385	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Br"	78.918885
"1316127"	331.062372	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl+HCOOH"	80.974872
"1327064"	353.044329	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl+NaCOOH"	102.956829
"914844"	363.073086	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M-H+CF3COOH"	112.985586
"1293741"	399.049764	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Cl+CF3COOH"	148.962264
"1376275"	215.074824	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H-2H2O"	-35.012676
"1384294"	233.0848	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H-H2O"	-17.0027
"290177"	501.182276	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H"	1.007276
"680413"	751.269776	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H"	1.007276
"1354575"	251.094776	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H"	1.007276
"134025"	251.094776	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2H"	2.014552
"572492"	376.138526	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2H"	2.014552
"1038374"	126.051026	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2H"	2.014552
"207369"	167.732276	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+3H"	3.021828
"649481"	251.094776	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+3H"	3.021828
"1172349"	84.369776	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+3H"	3.021828
"427599"	518.208823	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+NH4"	18.033823
"792244"	768.296323	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+NH4"	18.033823
"1686388"	268.121323	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+NH4"	18.033823
"337946"	259.6080495	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H+NH4"	19.041099
"731463"	384.6517995	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H+NH4"	19.041099
"1484190"	134.5642995	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+NH4"	19.041099
"398497"	523.164218	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Na"	22.989218
"762770"	773.251718	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+Na"	22.989218
"1604793"	273.076718	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na"	22.989218
"315438"	262.085747	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H+Na"	23.996494
"709433"	387.129497	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H+Na"	23.996494
"1463865"	137.041997	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+Na"	23.996494
"1053465"	91.69709	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2H+Na"	25.00377
"1262072"	283.120986	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+CH3OH+H"	33.033486
"382835"	539.138158	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+K"	38.963158
"742006"	789.225658	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+K"	38.963158
"1545885"	289.050658	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K"	38.963158
"306343"	270.072717	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+H+K"	39.970434
"699861"	395.116467	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+H+K"	39.970434
"1459149"	145.028967	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+K"	39.970434
"248847"	542.208826	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+ACN+H"	42.033826
"1222282"	292.121326	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+ACN+H"	42.033826
"1207263"	146.564301	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+ACN+2H"	43.041102
"202684"	545.14616	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2Na-H"	44.97116
"642974"	795.23366	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2Na-H"	44.97116
"1142469"	295.05866	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2Na-H"	44.97116
"185033"	273.076718	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2Na"	45.978436
"624594"	398.120468	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2Na"	45.978436
"1129191"	148.032968	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2Na"	45.978436
"1412838"	99.024404	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+2Na"	46.985712
"1437902"	297.100246	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+HCOOH"	47.012746
"232704"	278.10974	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+3H2O+2H"	56.04448
"1517849"	311.15229	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+IsoProp+H"	61.06479
"414982"	281.063688	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+Na+K"	61.952376
"776707"	406.107438	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+Na+K"	61.952376
"1669394"	156.019938	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na+K"	61.952376
"255554"	564.190768	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+ACN+Na"	64.015768
"1230085"	314.103268	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+ACN+Na"	64.015768
"1717879"	314.126793	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+NH4+HCOOH"	64.039293
"1182142"	106.351718	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+3Na"	68.967654
"1651672"	319.082188	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na+HCOOH"	68.994688
"166188"	577.09404	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2K-H"	76.91904
"602467"	827.18154	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2K-H"	76.91904
"1085886"	327.00654	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2K-H"	76.91904
"142702"	289.050658	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"2M+2K"	77.926316
"584450"	414.094408	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"3M+2K"	77.926316
"1069325"	164.006908	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2K"	77.926316
"1106544"	329.021092	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2K+H"	78.933592
"1345118"	329.108707	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+DMSO+H"	79.021207
"1019967"	333.147876	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2ACN+H"	83.060376
"1530681"	334.141508	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+IsoProp+Na+H"	84.054008
"996037"	167.077576	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+2ACN+2H"	84.067652
"1591632"	335.056128	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K+HCOOH"	84.968628
"1423853"	365.087638	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+H+CF3COOH"	115.000138
"1147586"	187.590851	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+3ACN+2H"	125.094202
"1700415"	382.114185	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+NH4+CF3COOH"	132.026685
"1646647"	387.06958	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+Na+CF3COOH"	136.98208
"1578287"	403.04352	"C17223"	"3-(5-Methylthio)pentylmalic acid;3-(5-Methylthio)pentylmalate"	"C10H18O5S"	"250.0875"	"M+K+CF3COOH"	152.95602
"808651"	204.082	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M"	0
"976720"	185.06361	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-H2O-H"	-19.01839
"71524"	135.047390666667	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M-3H"	-3.021828
"515458"	203.074724	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M-3H"	-3.021828
"892169"	67.0200573333333	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-3H"	-3.021828
"7465"	203.074724	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M-2H"	-2.014552
"448116"	305.115724	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M-2H"	-2.014552
"825917"	101.033724	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-2H"	-2.014552
"91013"	407.156724	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M-H"	-1.007276
"534103"	611.238724	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M-H"	-1.007276
"907647"	203.074724	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-H"	-1.007276
"61663"	424.183271	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M-2H+NH4"	16.019271
"502195"	628.265271	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M-2H+NH4"	16.019271
"879634"	220.101271	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-2H+NH4"	16.019271
"46198"	429.138666	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M-2H+Na"	20.974666
"485630"	633.220666	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M-2H+Na"	20.974666
"861368"	225.056666	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-2H+Na"	20.974666
"1629806"	225.056666	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Na-2H"	20.974666
"103057"	221.063063	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M-H+Cl"	33.962126
"542621"	323.104063	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M-H+Cl"	33.962126
"931034"	119.022063	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-H+Cl"	33.962126
"275786"	443.133402	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+Cl"	34.969402
"662743"	647.215402	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+Cl"	34.969402
"1282799"	239.051402	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Cl"	34.969402
"26449"	445.112606	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M-2H+K"	36.948606
"467103"	649.194606	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M-2H+K"	36.948606
"840530"	241.030606	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-2H+K"	36.948606
"1566206"	241.030606	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+K-2H"	36.948606
"950810"	249.080194	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-H+HCOOH"	44.998194
"373401"	453.162201	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+HCOOH-H"	44.998201
"356193"	467.177851	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+Hac-H"	59.013851
"1507580"	263.095851	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Hac-H"	59.013851
"971110"	271.062151	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-H+NaCOOH"	66.980151
"125001"	239.051402	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+2Cl"	69.938804
"564439"	341.092402	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+2Cl"	69.938804
"1035300"	137.010402	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2Cl"	69.938804
"1254880"	283.000885	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Br"	78.918885
"1317332"	285.056872	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Cl+HCOOH"	80.974872
"1332280"	307.038829	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Cl+NaCOOH"	102.956829
"915684"	317.067586	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M-H+CF3COOH"	112.985586
"1298224"	353.044264	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Cl+CF3COOH"	148.962264
"1368366"	169.069324	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H-2H2O"	-35.012676
"1386228"	187.0793	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H-H2O"	-17.0027
"289195"	409.171276	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+H"	1.007276
"677241"	613.253276	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+H"	1.007276
"1354685"	205.089276	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H"	1.007276
"131949"	205.089276	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+2H"	2.014552
"574789"	307.130276	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+2H"	2.014552
"1038484"	103.048276	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2H"	2.014552
"208210"	137.061942666667	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+3H"	3.021828
"648498"	205.089276	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+3H"	3.021828
"1166260"	69.0346093333333	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+3H"	3.021828
"434638"	426.197823	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+NH4"	18.033823
"793446"	630.279823	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+NH4"	18.033823
"1687591"	222.115823	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+NH4"	18.033823
"338056"	213.6025495	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+H+NH4"	19.041099
"727201"	315.6435495	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+H+NH4"	19.041099
"1482112"	111.5615495	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H+NH4"	19.041099
"396420"	431.153218	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+Na"	22.989218
"758508"	635.235218	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+Na"	22.989218
"1606607"	227.071218	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Na"	22.989218
"319922"	216.080247	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+H+Na"	23.996494
"707716"	318.121247	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+H+Na"	23.996494
"1463002"	114.039247	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H+Na"	23.996494
"1054307"	76.3619233333333	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2H+Na"	25.00377
"1263275"	237.115486	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+CH3OH+H"	33.033486
"380758"	447.127158	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+K"	38.963158
"743941"	651.209158	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+K"	38.963158
"1547089"	243.045158	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+K"	38.963158
"309735"	224.067217	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+H+K"	39.970434
"706412"	326.108217	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+H+K"	39.970434
"1459990"	122.026217	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H+K"	39.970434
"251027"	450.197826	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+ACN+H"	42.033826
"1224218"	246.115826	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+ACN+H"	42.033826
"1209526"	123.561551	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+ACN+2H"	43.041102
"201701"	453.13516	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+2Na-H"	44.97116
"642843"	657.21716	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+2Na-H"	44.97116
"1146554"	249.05316	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2Na-H"	44.97116
"187452"	227.071218	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+2Na"	45.978436
"627013"	329.112218	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+2Na"	45.978436
"1129668"	125.030218	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2Na"	45.978436
"1413433"	83.6892373333333	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H+2Na"	46.985712
"1441293"	251.094746	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H+HCOOH"	47.012746
"230991"	232.10424	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+3H2O+2H"	56.04448
"1514678"	265.14679	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+IsoProp+H"	61.06479
"413272"	235.058188	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+Na+K"	61.952376
"776088"	337.099188	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+Na+K"	61.952376
"1670233"	133.017188	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Na+K"	61.952376
"253478"	472.179768	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+ACN+Na"	64.015768
"1229104"	268.097768	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+ACN+Na"	64.015768
"1716897"	268.121293	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+NH4+HCOOH"	64.039293
"1187356"	91.0165513333333	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+3Na"	68.967654
"1660530"	273.076688	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Na+HCOOH"	68.994688
"168485"	485.08304	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+2K-H"	76.91904
"605858"	689.16504	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+2K-H"	76.91904
"1087091"	281.00104	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2K-H"	76.91904
"145000"	243.045158	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"2M+2K"	77.926316
"587840"	345.086158	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"3M+2K"	77.926316
"1069551"	141.004158	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2K"	77.926316
"1106654"	283.015592	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2K+H"	78.933592
"1340854"	283.103207	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+DMSO+H"	79.021207
"1016673"	287.142376	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2ACN+H"	83.060376
"1531884"	288.136008	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+IsoProp+Na+H"	84.054008
"997241"	144.074826	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+2ACN+2H"	84.067652
"1592838"	289.050628	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+K+HCOOH"	84.968628
"1418498"	319.082138	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+H+CF3COOH"	115.000138
"1149151"	164.588101	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+3ACN+2H"	125.094202
"1698339"	336.108685	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+NH4+CF3COOH"	132.026685
"1640558"	341.06408	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+Na+CF3COOH"	136.98208
"1578397"	357.03802	"C17224"	"2-Oxo-8-methylthiooctanoic acid;8-Methylthio-2-octanoic acid"	"C9H16O3S"	"204.082"	"M+K+CF3COOH"	152.95602
"808761"	205.1137	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M"	0
"982299"	186.09531	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-H2O-H"	-19.01839
"74916"	135.735190666667	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M-3H"	-3.021828
"516665"	204.106424	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M-3H"	-3.021828
"892279"	67.3639573333333	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-3H"	-3.021828
"11949"	204.106424	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M-2H"	-2.014552
"446039"	306.663274	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M-2H"	-2.014552
"829308"	101.549574	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-2H"	-2.014552
"88204"	409.220124	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M-H"	-1.007276
"531776"	614.333824	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M-H"	-1.007276
"904477"	204.106424	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-H"	-1.007276
"56665"	426.246671	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M-2H+NH4"	16.019271
"500602"	631.360371	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M-2H+NH4"	16.019271
"876212"	221.132971	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-2H+NH4"	16.019271
"43021"	431.202066	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M-2H+Na"	20.974666
"480393"	636.315766	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M-2H+Na"	20.974666
"854913"	226.088366	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-2H+Na"	20.974666
"1629917"	226.088366	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Na-2H"	20.974666
"102073"	222.094763	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M-H+Cl"	33.962126
"543826"	324.651613	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M-H+Cl"	33.962126
"930778"	119.537913	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-H+Cl"	33.962126
"272616"	445.196802	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+Cl"	34.969402
"663580"	650.310502	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+Cl"	34.969402
"1277077"	240.083102	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Cl"	34.969402
"17689"	447.176006	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M-2H+K"	36.948606
"460653"	652.289706	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M-2H+K"	36.948606
"841735"	242.062306	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-2H+K"	36.948606
"1567411"	242.062306	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+K-2H"	36.948606
"950921"	250.111894	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-H+HCOOH"	44.998194
"369136"	455.225601	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+HCOOH-H"	44.998201
"354116"	469.241251	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+Hac-H"	59.013851
"1505136"	264.127551	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Hac-H"	59.013851
"961009"	272.093851	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-H+NaCOOH"	66.980151
"120490"	240.083102	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+2Cl"	69.938804
"553124"	342.639952	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+2Cl"	69.938804
"1036504"	137.526252	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2Cl"	69.938804
"1248431"	284.032585	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Br"	78.918885
"1314163"	286.088572	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Cl+HCOOH"	80.974872
"1332754"	308.070529	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Cl+NaCOOH"	102.956829
"920531"	318.099286	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M-H+CF3COOH"	112.985586
"1293960"	354.075964	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Cl+CF3COOH"	148.962264
"1369934"	170.101024	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H-2H2O"	-35.012676
"1385610"	188.111	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H-H2O"	-17.0027
"289306"	411.234676	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+H"	1.007276
"683912"	616.348376	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+H"	1.007276
"1355159"	206.120976	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H"	1.007276
"128049"	206.120976	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+2H"	2.014552
"566635"	308.677826	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+2H"	2.014552
"1038594"	103.564126	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2H"	2.014552
"210509"	137.749742666667	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+3H"	3.021828
"647151"	206.120976	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+3H"	3.021828
"1171479"	69.3785093333333	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+3H"	3.021828
"430375"	428.261223	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+NH4"	18.033823
"793556"	633.374923	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+NH4"	18.033823
"1686608"	223.147523	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+NH4"	18.033823
"338166"	214.6342495	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+H+NH4"	19.041099
"726214"	317.1910995	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+H+NH4"	19.041099
"1483315"	112.0773995	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H+NH4"	19.041099
"399808"	433.216618	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+Na"	22.989218
"758616"	638.330318	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+Na"	22.989218
"1603555"	228.102918	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Na"	22.989218
"316754"	217.111947	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+H+Na"	23.996494
"707747"	319.668797	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+H+Na"	23.996494
"1462626"	114.555097	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H+Na"	23.996494
"1056240"	76.7058233333333	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2H+Na"	25.00377
"1264480"	238.147186	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+CH3OH+H"	33.033486
"383056"	449.190558	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+K"	38.963158
"744052"	654.304258	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+K"	38.963158
"1548294"	244.076858	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+K"	38.963158
"311667"	225.098917	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+H+K"	39.970434
"700080"	327.655767	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+H+K"	39.970434
"1459372"	122.542067	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H+K"	39.970434
"251394"	452.261226	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+ACN+H"	42.033826
"1225466"	247.147526	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+ACN+H"	42.033826
"1208698"	124.077401	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+ACN+2H"	43.041102
"199625"	455.19856	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+2Na-H"	44.97116
"642462"	660.31226	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+2Na-H"	44.97116
"1146580"	250.08486	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2Na-H"	44.97116
"188411"	228.102918	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+2Na"	45.978436
"628381"	330.659768	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+2Na"	45.978436
"1131295"	125.546068	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2Na"	45.978436
"1414081"	84.0331373333333	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H+2Na"	46.985712
"1441403"	252.126446	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H+HCOOH"	47.012746
"227821"	233.13594	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+3H2O+2H"	56.04448
"1516977"	266.17849	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+IsoProp+H"	61.06479
"413746"	236.089888	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+Na+K"	61.952376
"775107"	338.646738	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+Na+K"	61.952376
"1670343"	133.533038	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Na+K"	61.952376
"255049"	474.243168	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+ACN+Na"	64.015768
"1228115"	269.129468	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+ACN+Na"	64.015768
"1716640"	269.152993	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+NH4+HCOOH"	64.039293
"1185279"	91.3604513333333	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+3Na"	68.967654
"1655173"	274.108388	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Na+HCOOH"	68.994688
"163128"	487.14644	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+2K-H"	76.91904
"603782"	692.26014	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+2K-H"	76.91904
"1085979"	282.03274	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2K-H"	76.91904
"145105"	244.076858	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"2M+2K"	77.926316
"585759"	346.633708	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"3M+2K"	77.926316
"1072463"	141.520008	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2K"	77.926316
"1101662"	284.047292	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2K+H"	78.933592
"1338048"	284.134907	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+DMSO+H"	79.021207
"1010588"	288.174076	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2ACN+H"	83.060376
"1525064"	289.167708	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+IsoProp+Na+H"	84.054008
"995164"	144.590676	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+2ACN+2H"	84.067652
"1591854"	290.082328	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+K+HCOOH"	84.968628
"1418608"	320.113838	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+H+CF3COOH"	115.000138
"1149990"	165.103951	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+3ACN+2H"	125.094202
"1699548"	337.140385	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+NH4+CF3COOH"	132.026685
"1640668"	342.09578	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+Na+CF3COOH"	136.98208
"1578507"	358.06972	"C17225"	"Tetrahomomethionine"	"C9H19NO2S"	"205.1137"	"M+K+CF3COOH"	152.95602
"808871"	264.1031	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M"	0
"984591"	245.08471	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H2O-H"	-19.01839
"75026"	175.061457333333	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-3H"	-3.021828
"512400"	263.095824	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-3H"	-3.021828
"892389"	87.0270906666667	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-3H"	-3.021828
"13881"	263.095824	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H"	-2.014552
"442870"	395.147374	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H"	-2.014552
"822857"	131.044274	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H"	-2.014552
"89409"	527.198924	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-H"	-1.007276
"528970"	791.302024	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-H"	-1.007276
"905681"	263.095824	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H"	-1.007276
"60056"	544.225471	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H+NH4"	16.019271
"501441"	808.328571	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H+NH4"	16.019271
"875229"	280.122371	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H+NH4"	16.019271
"45685"	549.180866	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H+Na"	20.974666
"481598"	813.283966	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H+Na"	20.974666
"856118"	285.077766	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H+Na"	20.974666
"1627841"	285.077766	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na-2H"	20.974666
"105463"	281.084163	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-H+Cl"	33.962126
"542842"	413.135713	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-H+Cl"	33.962126
"927972"	149.032613	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+Cl"	33.962126
"273090"	563.175602	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Cl"	34.969402
"664419"	827.278702	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+Cl"	34.969402
"1279740"	299.072502	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl"	34.969402
"23390"	565.154806	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H+K"	36.948606
"460763"	829.257906	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H+K"	36.948606
"841845"	301.051706	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H+K"	36.948606
"1565334"	301.051706	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K-2H"	36.948606
"951031"	309.101294	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+HCOOH"	44.998194
"369246"	573.204401	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+HCOOH-H"	44.998201
"354226"	587.220051	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Hac-H"	59.013851
"1501966"	323.116951	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Hac-H"	59.013851
"961119"	331.083251	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+NaCOOH"	66.980151
"120600"	299.072502	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2Cl"	69.938804
"552870"	431.124052	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2Cl"	69.938804
"1033334"	167.020952	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2Cl"	69.938804
"1250728"	343.021985	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Br"	78.918885
"1314273"	345.077972	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl+HCOOH"	80.974872
"1332863"	367.059929	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl+NaCOOH"	102.956829
"919546"	377.088686	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+CF3COOH"	112.985586
"1297350"	413.065364	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl+CF3COOH"	148.962264
"1371503"	229.090424	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H-2H2O"	-35.012676
"1386084"	247.1004	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H-H2O"	-17.0027
"286135"	529.213476	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H"	1.007276
"679650"	793.316576	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H"	1.007276
"1357092"	265.110376	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H"	1.007276
"132168"	265.110376	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2H"	2.014552
"568083"	397.161926	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2H"	2.014552
"1038704"	133.058826	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2H"	2.014552
"211713"	177.076009333333	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+3H"	3.021828
"650181"	265.110376	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+3H"	3.021828
"1169403"	89.0416426666667	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+3H"	3.021828
"429390"	546.240023	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+NH4"	18.033823
"794761"	810.343123	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+NH4"	18.033823
"1688905"	282.136923	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+NH4"	18.033823
"337183"	273.6236495	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H+NH4"	19.041099
"727418"	405.6751995	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H+NH4"	19.041099
"1483425"	141.5720995	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+NH4"	19.041099
"396641"	551.195418	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Na"	22.989218
"756542"	815.298518	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+Na"	22.989218
"1604273"	287.092318	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na"	22.989218
"320144"	276.101347	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H+Na"	23.996494
"707496"	408.152897	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H+Na"	23.996494
"1463224"	144.049797	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+Na"	23.996494
"1056349"	96.3689566666666	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2H+Na"	25.00377
"1263496"	297.136586	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+CH3OH+H"	33.033486
"379883"	567.169358	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+K"	38.963158
"744162"	831.272458	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+K"	38.963158
"1545124"	303.066258	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K"	38.963158
"307767"	284.088317	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H+K"	39.970434
"703471"	416.139867	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H+K"	39.970434
"1459116"	152.036767	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+K"	39.970434
"250760"	570.240026	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+ACN+H"	42.033826
"1222979"	306.136926	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+ACN+H"	42.033826
"1209413"	153.572101	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+ACN+2H"	43.041102
"202773"	573.17736	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2Na-H"	44.97116
"644077"	837.28046	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2Na-H"	44.97116
"1145717"	309.07426	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2Na-H"	44.97116
"184998"	287.092318	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2Na"	45.978436
"628422"	419.143868	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2Na"	45.978436
"1130818"	155.040768	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2Na"	45.978436
"1413857"	103.696270666667	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+2Na"	46.985712
"1441513"	311.115846	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+HCOOH"	47.012746
"227930"	292.12534	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+3H2O+2H"	56.04448
"1512712"	325.16789	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+IsoProp+H"	61.06479
"413127"	295.079288	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Na+K"	61.952376
"774124"	427.130838	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+Na+K"	61.952376
"1670453"	163.027738	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na+K"	61.952376
"257346"	592.221968	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+ACN+Na"	64.015768
"1228226"	328.118868	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+ACN+Na"	64.015768
"1716022"	328.142393	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+NH4+HCOOH"	64.039293
"1184296"	111.023584666667	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+3Na"	68.967654
"1655283"	333.097788	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na+HCOOH"	68.994688
"166518"	605.12524	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2K-H"	76.91904
"603892"	869.22834	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2K-H"	76.91904
"1087307"	341.02214	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2K-H"	76.91904
"144124"	303.066258	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2K"	77.926316
"582831"	435.117808	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2K"	77.926316
"1072574"	171.014708	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2K"	77.926316
"1102504"	343.036692	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2K+H"	78.933592
"1338888"	343.124307	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+DMSO+H"	79.021207
"1007783"	347.163476	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2ACN+H"	83.060376
"1525908"	348.157108	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+IsoProp+Na+H"	84.054008
"996368"	174.085376	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2ACN+2H"	84.067652
"1589777"	349.071728	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K+HCOOH"	84.968628
"1417989"	379.103238	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+CF3COOH"	115.000138
"1147910"	194.598651	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+3ACN+2H"	125.094202
"1699658"	396.129785	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+NH4+CF3COOH"	132.026685
"1640778"	401.08518	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na+CF3COOH"	136.98208
"1578617"	417.05912	"C17226"	"2-(6-Methylthio)hexylmalic acid;2-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K+CF3COOH"	152.95602
"808981"	264.1031	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M"	0
"977046"	245.08471	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H2O-H"	-19.01839
"74043"	175.061457333333	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-3H"	-3.021828
"515428"	263.095824	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-3H"	-3.021828
"893958"	87.0270906666667	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-3H"	-3.021828
"11075"	263.095824	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H"	-2.014552
"445168"	395.147374	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H"	-2.014552
"824060"	131.044274	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H"	-2.014552
"86239"	527.198924	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-H"	-1.007276
"530052"	791.302024	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-H"	-1.007276
"901417"	263.095824	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H"	-1.007276
"56886"	544.225471	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H+NH4"	16.019271
"499728"	808.328571	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H+NH4"	16.019271
"872060"	280.122371	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H+NH4"	16.019271
"44338"	549.180866	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H+Na"	20.974666
"480615"	813.283966	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H+Na"	20.974666
"855135"	285.077766	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H+Na"	20.974666
"1627951"	285.077766	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na-2H"	20.974666
"103387"	281.084163	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-H+Cl"	33.962126
"542951"	413.135713	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-H+Cl"	33.962126
"928814"	149.032613	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+Cl"	33.962126
"270651"	563.175602	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Cl"	34.969402
"664165"	827.278702	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+Cl"	34.969402
"1279850"	299.072502	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl"	34.969402
"23500"	565.154806	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M-2H+K"	36.948606
"460873"	829.257906	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M-2H+K"	36.948606
"841955"	301.051706	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-2H+K"	36.948606
"1565444"	301.051706	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K-2H"	36.948606
"945674"	309.101294	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+HCOOH"	44.998194
"373731"	573.204401	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+HCOOH-H"	44.998201
"354336"	587.220051	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Hac-H"	59.013851
"1502807"	323.116951	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Hac-H"	59.013851
"960865"	331.083251	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+NaCOOH"	66.980151
"117430"	299.072502	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2Cl"	69.938804
"554803"	431.124052	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2Cl"	69.938804
"1030164"	167.020952	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2Cl"	69.938804
"1250838"	343.021985	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Br"	78.918885
"1314383"	345.077972	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl+HCOOH"	80.974872
"1332972"	367.059929	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl+NaCOOH"	102.956829
"917470"	377.088686	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M-H+CF3COOH"	112.985586
"1293450"	413.065364	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Cl+CF3COOH"	148.962264
"1367845"	229.090424	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H-2H2O"	-35.012676
"1388747"	247.1004	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H-H2O"	-17.0027
"286247"	529.213476	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H"	1.007276
"678668"	793.316576	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H"	1.007276
"1353919"	265.110376	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H"	1.007276
"135559"	265.110376	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2H"	2.014552
"571839"	397.161926	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2H"	2.014552
"1038453"	133.058826	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2H"	2.014552
"212917"	177.076009333333	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+3H"	3.021828
"647375"	265.110376	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+3H"	3.021828
"1168419"	89.0416426666667	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+3H"	3.021828
"428407"	546.240023	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+NH4"	18.033823
"791592"	810.343123	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+NH4"	18.033823
"1685737"	282.136923	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+NH4"	18.033823
"338387"	273.6236495	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H+NH4"	19.041099
"729716"	405.6751995	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H+NH4"	19.041099
"1482445"	141.5720995	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+NH4"	19.041099
"394928"	551.195418	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Na"	22.989218
"758838"	815.298518	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+Na"	22.989218
"1606937"	287.092318	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na"	22.989218
"320256"	276.101347	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H+Na"	23.996494
"709391"	408.152897	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H+Na"	23.996494
"1463213"	144.049797	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+Na"	23.996494
"1057553"	96.3689566666666	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2H+Na"	25.00377
"1260326"	297.136586	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+CH3OH+H"	33.033486
"379994"	567.169358	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+K"	38.963158
"746460"	831.272458	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+K"	38.963158
"1548514"	303.066258	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K"	38.963158
"305691"	284.088317	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+H+K"	39.970434
"699208"	416.139867	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+H+K"	39.970434
"1459592"	152.036767	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+K"	39.970434
"250868"	570.240026	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+ACN+H"	42.033826
"1224672"	306.136926	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+ACN+H"	42.033826
"1208189"	153.572101	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+ACN+2H"	43.041102
"200211"	573.17736	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2Na-H"	44.97116
"643294"	837.28046	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2Na-H"	44.97116
"1144005"	309.07426	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2Na-H"	44.97116
"184745"	287.092318	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2Na"	45.978436
"623576"	419.143868	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2Na"	45.978436
"1128176"	155.040768	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2Na"	45.978436
"1412064"	103.696270666667	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+2Na"	46.985712
"1438343"	311.115846	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+HCOOH"	47.012746
"223300"	292.12534	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+3H2O+2H"	56.04448
"1512821"	325.16789	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+IsoProp+H"	61.06479
"410318"	295.079288	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+Na+K"	61.952376
"778973"	427.130838	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+Na+K"	61.952376
"1670199"	163.027738	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na+K"	61.952376
"257456"	592.221968	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+ACN+Na"	64.015768
"1229066"	328.118868	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+ACN+Na"	64.015768
"1717954"	328.142393	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+NH4+HCOOH"	64.039293
"1185497"	111.023584666667	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+3Na"	68.967654
"1655392"	333.097788	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na+HCOOH"	68.994688
"165900"	605.12524	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2K-H"	76.91904
"600722"	869.22834	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2K-H"	76.91904
"1087416"	341.02214	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2K-H"	76.91904
"147151"	303.066258	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"2M+2K"	77.926316
"587806"	435.117808	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"3M+2K"	77.926316
"1070498"	171.014708	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2K"	77.926316
"1104073"	343.036692	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2K+H"	78.933592
"1336079"	343.124307	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+DMSO+H"	79.021207
"1010811"	347.163476	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2ACN+H"	83.060376
"1530029"	348.157108	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+IsoProp+Na+H"	84.054008
"993198"	174.085376	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+2ACN+2H"	84.067652
"1590981"	349.071728	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K+HCOOH"	84.968628
"1415909"	379.103238	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+H+CF3COOH"	115.000138
"1147243"	194.598651	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+3ACN+2H"	125.094202
"1700861"	396.129785	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+NH4+CF3COOH"	132.026685
"1640888"	401.08518	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+Na+CF3COOH"	136.98208
"1578727"	417.05912	"C17227"	"3-(6-Methylthio)hexylmalic acid;3-(6-Methylthio)hexylmalate"	"C11H20O5S"	"264.1031"	"M+K+CF3COOH"	152.95602
"815289"	218.0977	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M"	0
"983720"	199.07931	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-H2O-H"	-19.01839
"73060"	144.391190666667	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M-3H"	-3.021828
"513714"	217.090424	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M-3H"	-3.021828
"894074"	71.6919573333333	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-3H"	-3.021828
"7907"	217.090424	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M-2H"	-2.014552
"447464"	326.139274	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M-2H"	-2.014552
"825263"	108.041574	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-2H"	-2.014552
"87443"	435.188124	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M-H"	-1.007276
"529193"	653.285824	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M-H"	-1.007276
"909307"	217.090424	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-H"	-1.007276
"59184"	452.214671	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M-2H+NH4"	16.019271
"500451"	670.312371	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M-2H+NH4"	16.019271
"878373"	234.116971	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-2H+NH4"	16.019271
"44327"	457.170066	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M-2H+Na"	20.974666
"485590"	675.267766	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M-2H+Na"	20.974666
"858530"	239.072366	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-2H+Na"	20.974666
"1634023"	239.072366	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Na-2H"	20.974666
"109665"	235.078763	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M-H+Cl"	33.962126
"547072"	344.127613	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M-H+Cl"	33.962126
"932205"	126.029913	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-H+Cl"	33.962126
"272949"	471.164802	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+Cl"	34.969402
"663184"	689.262502	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+Cl"	34.969402
"1278869"	253.067102	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Cl"	34.969402
"24705"	473.144006	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M-2H+K"	36.948606
"467546"	691.241706	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M-2H+K"	36.948606
"840974"	255.046306	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-2H+K"	36.948606
"1566649"	255.046306	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+K-2H"	36.948606
"949065"	263.095894	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-H+HCOOH"	44.998194
"373479"	481.193601	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+HCOOH-H"	44.998201
"359552"	495.209251	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+Hac-H"	59.013851
"1505833"	277.111551	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Hac-H"	59.013851
"965353"	285.077851	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-H+NaCOOH"	66.980151
"114261"	253.067102	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+2Cl"	69.938804
"561475"	362.115952	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+2Cl"	69.938804
"1036111"	144.018252	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2Cl"	69.938804
"1252043"	297.016585	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Br"	78.918885
"1317409"	299.072572	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Cl+HCOOH"	80.974872
"1327616"	321.054529	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Cl+NaCOOH"	102.956829
"920866"	331.083286	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M-H+CF3COOH"	112.985586
"1298667"	367.059964	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Cl+CF3COOH"	148.962264
"1371360"	183.085024	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H-2H2O"	-35.012676
"1388858"	201.095	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H-H2O"	-17.0027
"295110"	437.202676	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+H"	1.007276
"684249"	655.300376	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+H"	1.007276
"1355130"	219.104976	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H"	1.007276
"132390"	219.104976	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+2H"	2.014552
"574139"	328.153826	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+2H"	2.014552
"1042939"	110.056126	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2H"	2.014552
"211934"	146.405742666667	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+3H"	3.021828
"653684"	219.104976	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+3H"	3.021828
"1168530"	73.7065093333333	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+3H"	3.021828
"431801"	454.229223	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+NH4"	18.033823
"791700"	672.326923	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+NH4"	18.033823
"1686939"	236.131523	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+NH4"	18.033823
"339592"	227.6182495	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+H+NH4"	19.041099
"729828"	336.6670995	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+H+NH4"	19.041099
"1482555"	118.5693995	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H+NH4"	19.041099
"399049"	459.184618	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+Na"	22.989218
"761137"	677.282318	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+Na"	22.989218
"1608139"	241.086918	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Na"	22.989218
"322552"	230.095947	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+H+Na"	23.996494
"708409"	339.144797	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+H+Na"	23.996494
"1463325"	121.047097	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H+Na"	23.996494
"1060946"	81.0338233333333	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2H+Na"	25.00377
"1262623"	251.131186	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+CH3OH+H"	33.033486
"386669"	475.158558	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+K"	38.963158
"748395"	693.256258	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+K"	38.963158
"1549720"	257.060858	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+K"	38.963158
"306897"	238.082917	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+H+K"	39.970434
"699318"	347.131767	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+H+K"	39.970434
"1459464"	129.034067	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H+K"	39.970434
"250740"	478.229226	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+ACN+H"	42.033826
"1225032"	260.131526	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+ACN+H"	42.033826
"1209031"	130.569401	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+ACN+2H"	43.041102
"202145"	481.16656	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+2Na-H"	44.97116
"641704"	699.26426	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+2Na-H"	44.97116
"1145456"	263.06886	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2Na-H"	44.97116
"186682"	241.086918	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+2Na"	45.978436
"626972"	350.135768	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+2Na"	45.978436
"1129747"	132.038068	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2Na"	45.978436
"1411445"	88.3611373333333	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H+2Na"	46.985712
"1441740"	265.110446	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H+HCOOH"	47.012746
"229976"	246.11994	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+3H2O+2H"	56.04448
"1515119"	279.16249	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+IsoProp+H"	61.06479
"413713"	249.073888	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+Na+K"	61.952376
"779083"	358.122738	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+Na+K"	61.952376
"1672135"	140.025038	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Na+K"	61.952376
"260482"	500.211168	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+ACN+Na"	64.015768
"1233921"	282.113468	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+ACN+Na"	64.015768
"1723902"	282.136993	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+NH4+HCOOH"	64.039293
"1186705"	95.6884513333333	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+3Na"	68.967654
"1658784"	287.092388	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Na+HCOOH"	68.994688
"164552"	513.11444	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+2K-H"	76.91904
"604113"	731.21214	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+2K-H"	76.91904
"1090811"	295.01674	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2K-H"	76.91904
"146535"	257.060858	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"2M+2K"	77.926316
"586095"	366.109708	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"3M+2K"	77.926316
"1072796"	148.012008	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2K"	77.926316
"1103818"	297.031292	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2K+H"	78.933592
"1340203"	297.118907	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+DMSO+H"	79.021207
"1012014"	301.158076	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2ACN+H"	83.060376
"1526858"	302.151708	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+IsoProp+Na+H"	84.054008
"994402"	151.082676	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+2ACN+2H"	84.067652
"1591091"	303.066328	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+K+HCOOH"	84.968628
"1420031"	333.097838	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+H+CF3COOH"	115.000138
"1148864"	171.595951	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+3ACN+2H"	125.094202
"1698413"	350.124385	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+NH4+CF3COOH"	132.026685
"1640998"	355.07978	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+Na+CF3COOH"	136.98208
"1578837"	371.05372	"C17228"	"2-Oxo-9-methylthiononanoic acid;9-Methylthio-2-nonanoic acid"	"C10H18O3S"	"218.0977"	"M+K+CF3COOH"	152.95602
"803004"	219.1293	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M"	0
"979452"	200.11091	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-H2O-H"	-19.01839
"66607"	145.078924	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M-3H"	-3.021828
"513824"	218.122024	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M-3H"	-3.021828
"885065"	72.035824	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-3H"	-3.021828
"3642"	218.122024	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M-2H"	-2.014552
"445384"	327.686674	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M-2H"	-2.014552
"819906"	108.557374	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-2H"	-2.014552
"86456"	437.251324	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M-H"	-1.007276
"530392"	656.380624	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M-H"	-1.007276
"908195"	218.122024	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-H"	-1.007276
"59290"	454.277871	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M-2H+NH4"	16.019271
"496668"	673.407171	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M-2H+NH4"	16.019271
"874466"	235.148571	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-2H+NH4"	16.019271
"42367"	459.233266	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M-2H+Na"	20.974666
"479739"	678.362566	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M-2H+Na"	20.974666
"858637"	240.103966	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-2H+Na"	20.974666
"1624892"	240.103966	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Na-2H"	20.974666
"108711"	236.110363	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M-H+Cl"	33.962126
"543173"	345.675013	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M-H+Cl"	33.962126
"930127"	126.545713	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-H+Cl"	33.962126
"268683"	473.228002	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+Cl"	34.969402
"661102"	692.357302	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+Cl"	34.969402
"1274604"	254.098702	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Cl"	34.969402
"17280"	475.207206	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M-2H+K"	36.948606
"461095"	694.336506	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M-2H+K"	36.948606
"838897"	256.077906	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-2H+K"	36.948606
"1566761"	256.077906	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+K-2H"	36.948606
"949175"	264.127494	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-H+HCOOH"	44.998194
"372861"	483.256801	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+HCOOH-H"	44.998201
"352371"	497.272451	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+Hac-H"	59.013851
"1505576"	278.143151	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Hac-H"	59.013851
"971659"	286.109451	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-H+NaCOOH"	66.980151
"120932"	254.098702	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+2Cl"	69.938804
"562681"	363.663352	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+2Cl"	69.938804
"1033669"	144.534052	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2Cl"	69.938804
"1248871"	298.048185	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Br"	78.918885
"1310228"	300.104172	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Cl+HCOOH"	80.974872
"1326631"	322.086129	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Cl+NaCOOH"	102.956829
"918786"	332.114886	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M-H+CF3COOH"	112.985586
"1293310"	368.091564	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Cl+CF3COOH"	148.962264
"1371471"	184.116624	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H-2H2O"	-35.012676
"1386781"	202.1266	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H-H2O"	-17.0027
"285739"	439.265876	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+H"	1.007276
"676578"	658.395176	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+H"	1.007276
"1355601"	220.136576	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H"	1.007276
"127760"	220.136576	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+2H"	2.014552
"570971"	329.701226	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+2H"	2.014552
"1046330"	110.571926	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2H"	2.014552
"215326"	147.093476	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+3H"	3.021828
"652701"	220.136576	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+3H"	3.021828
"1170827"	74.050376	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+3H"	3.021828
"433002"	456.292423	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+NH4"	18.033823
"791813"	675.421723	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+NH4"	18.033823
"1687046"	237.163123	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+NH4"	18.033823
"341886"	228.6498495	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+H+NH4"	19.041099
"731029"	338.2144995	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+H+NH4"	19.041099
"1484851"	119.0851995	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H+NH4"	19.041099
"399159"	461.247818	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+Na"	22.989218
"761246"	680.377118	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+Na"	22.989218
"1610437"	242.118518	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Na"	22.989218
"322660"	231.127547	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+H+Na"	23.996494
"711801"	340.692197	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+H+Na"	23.996494
"1464891"	121.562897	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H+Na"	23.996494
"1062151"	81.37769	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2H+Na"	25.00377
"1264921"	252.162786	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+CH3OH+H"	33.033486
"384591"	477.221758	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+K"	38.963158
"747775"	696.351058	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+K"	38.963158
"1546548"	258.092458	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+K"	38.963158
"309191"	239.114517	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+H+K"	39.970434
"701252"	348.679167	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+H+K"	39.970434
"1455801"	129.549867	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H+K"	39.970434
"246590"	480.292426	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+ACN+H"	42.033826
"1224651"	261.163126	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+ACN+H"	42.033826
"1209780"	131.085201	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+ACN+2H"	43.041102
"202864"	483.22976	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+2Na-H"	44.97116
"643029"	702.35906	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+2Na-H"	44.97116
"1144958"	264.10046	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2Na-H"	44.97116
"187644"	242.118518	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+2Na"	45.978436
"625258"	351.683168	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+2Na"	45.978436
"1128763"	132.553868	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2Na"	45.978436
"1410096"	88.705004	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H+2Na"	46.985712
"1444769"	266.142046	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H+HCOOH"	47.012746
"230449"	247.15154	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+3H2O+2H"	56.04448
"1518147"	280.19409	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+IsoProp+H"	61.06479
"419657"	250.105488	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+Na+K"	61.952376
"781385"	359.670138	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+Na+K"	61.952376
"1675895"	140.540838	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Na+K"	61.952376
"263146"	502.274368	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+ACN+Na"	64.015768
"1238407"	283.145068	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+ACN+Na"	64.015768
"1721460"	283.168593	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+NH4+HCOOH"	64.039293
"1186448"	96.032318	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+3Na"	68.967654
"1658528"	288.123988	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Na+HCOOH"	68.994688
"167577"	515.17764	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+2K-H"	76.91904
"606045"	734.30694	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+2K-H"	76.91904
"1092012"	296.04834	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2K-H"	76.91904
"143727"	258.092458	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"2M+2K"	77.926316
"582559"	367.657108	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"3M+2K"	77.926316
"1069134"	148.527808	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2K"	77.926316
"1105021"	298.062892	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2K+H"	78.933592
"1338490"	298.150507	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+DMSO+H"	79.021207
"1009208"	302.189676	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2ACN+H"	83.060376
"1528064"	303.183308	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+IsoProp+Na+H"	84.054008
"992324"	151.598476	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+2ACN+2H"	84.067652
"1587920"	304.097928	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+K+HCOOH"	84.968628
"1414346"	334.129438	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+H+CF3COOH"	115.000138
"1148610"	172.111751	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+3ACN+2H"	125.094202
"1698162"	351.155985	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+NH4+CF3COOH"	132.026685
"1634663"	356.11138	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+Na+CF3COOH"	136.98208
"1578947"	372.08532	"C17229"	"Pentahomomethionine"	"C10H21NO2S"	"219.1293"	"M+K+CF3COOH"	152.95602
"802023"	278.1188	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M"	0
"979569"	259.10041	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H2O-H"	-19.01839
"73281"	184.405257333333	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-3H"	-3.021828
"510654"	277.111524	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-3H"	-3.021828
"887362"	91.6989906666667	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-3H"	-3.021828
"4842"	277.111524	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H"	-2.014552
"441486"	416.170924	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H"	-2.014552
"818924"	138.052124	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H"	-2.014552
"88757"	555.230324	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-H"	-1.007276
"526132"	833.349124	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-H"	-1.007276
"903934"	277.111524	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H"	-1.007276
"56120"	572.256871	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H+NH4"	16.019271
"495678"	850.375671	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H+NH4"	16.019271
"875669"	294.138071	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H+NH4"	16.019271
"41383"	577.212266	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H+Na"	20.974666
"479850"	855.331066	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H+Na"	20.974666
"856559"	299.093466	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H+Na"	20.974666
"1623909"	299.093466	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na-2H"	20.974666
"103720"	295.099863	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-H+Cl"	33.962126
"537813"	434.159263	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-H+Cl"	33.962126
"931329"	156.040463	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+Cl"	33.962126
"269885"	591.207002	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Cl"	34.969402
"663402"	869.325802	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+Cl"	34.969402
"1275806"	313.088202	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl"	34.969402
"20550"	593.186206	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H+K"	36.948606
"457924"	871.305006	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H+K"	36.948606
"834629"	315.067406	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H+K"	36.948606
"1560305"	315.067406	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K-2H"	36.948606
"951472"	323.116994	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+HCOOH"	44.998194
"370781"	601.235801	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+HCOOH-H"	44.998201
"356851"	615.251451	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Hac-H"	59.013851
"1507631"	337.132651	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Hac-H"	59.013851
"973713"	345.098951	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+NaCOOH"	66.980151
"125053"	313.088202	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2Cl"	69.938804
"562791"	452.147602	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2Cl"	69.938804
"1035235"	174.028802	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2Cl"	69.938804
"1253356"	357.037685	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Br"	78.918885
"1305232"	359.093672	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl+HCOOH"	80.974872
"1325649"	381.075629	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl+NaCOOH"	102.956829
"916712"	391.104386	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+CF3COOH"	112.985586
"1289410"	427.081064	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl+CF3COOH"	148.962264
"1369394"	243.106124	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H-2H2O"	-35.012676
"1386161"	261.1161	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H-H2O"	-17.0027
"288762"	557.244876	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H"	1.007276
"679362"	835.363676	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H"	1.007276
"1355347"	279.126076	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H"	1.007276
"136624"	279.126076	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2H"	2.014552
"569987"	418.185476	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2H"	2.014552
"1047535"	140.066676	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2H"	2.014552
"209970"	186.419809333333	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+3H"	3.021828
"651716"	279.126076	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+3H"	3.021828
"1173854"	93.7135426666667	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+3H"	3.021828
"435303"	574.271423	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+NH4"	18.033823
"791925"	852.390223	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+NH4"	18.033823
"1684976"	296.152623	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+NH4"	18.033823
"338721"	287.6393495	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H+NH4"	19.041099
"730048"	426.6987495	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H+NH4"	19.041099
"1488971"	148.5799495	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+NH4"	19.041099
"405465"	579.226818	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Na"	22.989218
"763543"	857.345618	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+Na"	22.989218
"1608360"	301.108018	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na"	22.989218
"322771"	290.117047	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H+Na"	23.996494
"715192"	429.176447	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H+Na"	23.996494
"1465001"	151.057647	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+Na"	23.996494
"1058979"	101.040856666667	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2H+Na"	25.00377
"1269406"	311.152286	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+CH3OH+H"	33.033486
"389076"	595.200758	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+K"	38.963158
"752989"	873.319558	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+K"	38.963158
"1549938"	317.081958	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K"	38.963158
"311490"	298.104017	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H+K"	39.970434
"699538"	437.163417	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H+K"	39.970434
"1458827"	159.044617	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+K"	39.970434
"251283"	598.271426	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+ACN+H"	42.033826
"1225373"	320.152626	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+ACN+H"	42.033826
"1209583"	160.579951	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+ACN+2H"	43.041102
"203825"	601.20876	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2Na-H"	44.97116
"643020"	879.32756	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2Na-H"	44.97116
"1145067"	323.08996	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2Na-H"	44.97116
"187628"	301.108018	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2Na"	45.978436
"627066"	440.167418	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2Na"	45.978436
"1127410"	162.048618	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2Na"	45.978436
"1410571"	108.368170666667	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+2Na"	46.985712
"1443419"	325.131546	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+HCOOH"	47.012746
"230556"	306.14104	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+3H2O+2H"	56.04448
"1518623"	339.18359	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+IsoProp+H"	61.06479
"416124"	309.094988	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Na+K"	61.952376
"779309"	448.154388	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+Na+K"	61.952376
"1672360"	170.035588	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na+K"	61.952376
"263982"	620.253368	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+ACN+Na"	64.015768
"1233775"	342.134568	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+ACN+Na"	64.015768
"1725218"	342.158093	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+NH4+HCOOH"	64.039293
"1186926"	115.695484666667	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+3Na"	68.967654
"1656818"	347.113488	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na+HCOOH"	68.994688
"162579"	633.15664	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2K-H"	76.91904
"603235"	911.27544	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2K-H"	76.91904
"1092122"	355.03784	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2K-H"	76.91904
"151126"	317.081958	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2K"	77.926316
"582304"	456.141358	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2K"	77.926316
"1071923"	178.022558	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2K"	77.926316
"1107318"	357.052392	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2K+H"	78.933592
"1338236"	357.140007	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+DMSO+H"	79.021207
"1006521"	361.179176	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2ACN+H"	83.060376
"1528173"	362.172808	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+IsoProp+Na+H"	84.054008
"993528"	181.093226	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2ACN+2H"	84.067652
"1587423"	363.087428	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K+HCOOH"	84.968628
"1414265"	393.118938	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+CF3COOH"	115.000138
"1147075"	201.606501	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+3ACN+2H"	125.094202
"1697105"	410.145485	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+NH4+CF3COOH"	132.026685
"1641218"	415.10088	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na+CF3COOH"	136.98208
"1579057"	431.07482	"C17230"	"2-(7-Methylthio)heptylmalic acid;2-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K+CF3COOH"	152.95602
"806140"	278.1188	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M"	0
"975304"	259.10041	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H2O-H"	-19.01839
"64639"	184.405257333333	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-3H"	-3.021828
"511858"	277.111524	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-3H"	-3.021828
"888565"	91.6989906666667	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-3H"	-3.021828
"6048"	277.111524	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H"	-2.014552
"444513"	416.170924	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H"	-2.014552
"825596"	138.052124	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H"	-2.014552
"86682"	555.230324	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-H"	-1.007276
"528432"	833.349124	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-H"	-1.007276
"908420"	277.111524	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H"	-1.007276
"56232"	572.256871	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H+NH4"	16.019271
"500166"	850.375671	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H+NH4"	16.019271
"874689"	294.138071	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H+NH4"	16.019271
"42223"	577.212266	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H+Na"	20.974666
"480690"	855.331066	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H+Na"	20.974666
"857766"	299.093466	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H+Na"	20.974666
"1625114"	299.093466	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na-2H"	20.974666
"101647"	295.099863	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-H+Cl"	33.962126
"540111"	434.159263	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-H+Cl"	33.962126
"930346"	156.040463	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+Cl"	33.962126
"270360"	591.207002	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Cl"	34.969402
"663512"	869.325802	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+Cl"	34.969402
"1280290"	313.088202	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl"	34.969402
"26128"	593.186206	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M-2H+K"	36.948606
"468969"	871.305006	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M-2H+K"	36.948606
"842396"	315.067406	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-2H+K"	36.948606
"1565884"	315.067406	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K-2H"	36.948606
"956685"	323.116994	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+HCOOH"	44.998194
"374901"	601.235801	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+HCOOH-H"	44.998201
"355868"	615.251451	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Hac-H"	59.013851
"1505796"	337.132651	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Hac-H"	59.013851
"970058"	345.098951	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+NaCOOH"	66.980151
"120058"	313.088202	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2Cl"	69.938804
"563994"	452.147602	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2Cl"	69.938804
"1034980"	174.028802	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2Cl"	69.938804
"1250186"	357.037685	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Br"	78.918885
"1309353"	359.093672	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl+HCOOH"	80.974872
"1327948"	381.075629	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl+NaCOOH"	102.956829
"917916"	391.104386	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M-H+CF3COOH"	112.985586
"1292438"	427.081064	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Cl+CF3COOH"	148.962264
"1369505"	243.106124	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H-2H2O"	-35.012676
"1388094"	261.1161	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H-H2O"	-17.0027
"293247"	557.244876	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H"	1.007276
"677652"	835.363676	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H"	1.007276
"1354000"	279.126076	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H"	1.007276
"135275"	279.126076	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2H"	2.014552
"571190"	418.185476	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2H"	2.014552
"1045458"	140.066676	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2H"	2.014552
"206070"	186.419809333333	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+3H"	3.021828
"650735"	279.126076	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+3H"	3.021828
"1173232"	93.7135426666667	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+3H"	3.021828
"433227"	574.271423	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+NH4"	18.033823
"797505"	852.390223	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+NH4"	18.033823
"1686181"	296.152623	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+NH4"	18.033823
"341018"	287.6393495	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H+NH4"	19.041099
"730158"	426.6987495	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H+NH4"	19.041099
"1483979"	148.5799495	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+NH4"	19.041099
"401566"	579.226818	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Na"	22.989218
"762559"	857.345618	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+Na"	22.989218
"1608472"	301.108018	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na"	22.989218
"321787"	290.117047	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H+Na"	23.996494
"710927"	429.176447	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H+Na"	23.996494
"1464752"	151.057647	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+Na"	23.996494
"1057995"	101.040856666667	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2H+Na"	25.00377
"1261862"	311.152286	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+CH3OH+H"	33.033486
"384809"	595.200758	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+K"	38.963158
"745809"	873.319558	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+K"	38.963158
"1548952"	317.081958	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K"	38.963158
"304307"	298.104017	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+H+K"	39.970434
"706577"	437.163417	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+H+K"	39.970434
"1461172"	159.044617	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+K"	39.970434
"250703"	598.271426	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+ACN+H"	42.033826
"1222434"	320.152626	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+ACN+H"	42.033826
"1209369"	160.579951	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+ACN+2H"	43.041102
"203775"	601.20876	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2Na-H"	44.97116
"642887"	879.32756	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2Na-H"	44.97116
"1143719"	323.08996	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2Na-H"	44.97116
"185551"	301.108018	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2Na"	45.978436
"625114"	440.167418	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2Na"	45.978436
"1124241"	162.048618	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2Na"	45.978436
"1410318"	108.368170666667	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+2Na"	46.985712
"1442070"	325.131546	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+HCOOH"	47.012746
"232129"	306.14104	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+3H2O+2H"	56.04448
"1516548"	339.18359	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+IsoProp+H"	61.06479
"412954"	309.094988	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+Na+K"	61.952376
"781242"	448.154388	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+Na+K"	61.952376
"1670281"	170.035588	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na+K"	61.952376
"258988"	620.253368	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+ACN+Na"	64.015768
"1237168"	342.134568	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+ACN+Na"	64.015768
"1726788"	342.158093	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+NH4+HCOOH"	64.039293
"1189220"	115.695484666667	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+3Na"	68.967654
"1663123"	347.113488	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na+HCOOH"	68.994688
"163785"	633.15664	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2K-H"	76.91904
"604440"	911.27544	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2K-H"	76.91904
"1093327"	355.03784	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2K-H"	76.91904
"150872"	317.081958	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"2M+2K"	77.926316
"586425"	456.141358	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"3M+2K"	77.926316
"1070937"	178.022558	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2K"	77.926316
"1107428"	357.052392	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2K+H"	78.933592
"1338346"	357.140007	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+DMSO+H"	79.021207
"1007242"	361.179176	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2ACN+H"	83.060376
"1524404"	362.172808	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+IsoProp+Na+H"	84.054008
"992544"	181.093226	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+2ACN+2H"	84.067652
"1590329"	363.087428	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K+HCOOH"	84.968628
"1414893"	393.118938	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+H+CF3COOH"	115.000138
"1147494"	201.606501	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+3ACN+2H"	125.094202
"1703487"	410.145485	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+NH4+CF3COOH"	132.026685
"1641328"	415.10088	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+Na+CF3COOH"	136.98208
"1579167"	431.07482	"C17231"	"3-(7-Methylthio)heptylmalic acid;3-(7-Methylthio)heptylmalate"	"C12H22O5S"	"278.1188"	"M+K+CF3COOH"	152.95602
"801708"	232.1133	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M"	0
"974511"	213.09491	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-H2O-H"	-19.01839
"65113"	153.734924	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M-3H"	-3.021828
"509784"	231.106024	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M-3H"	-3.021828
"887584"	76.363824	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-3H"	-3.021828
"8347"	231.106024	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M-2H"	-2.014552
"446812"	347.162674	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M-2H"	-2.014552
"822426"	115.049374	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-2H"	-2.014552
"81322"	463.219324	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M-H"	-1.007276
"524163"	695.332624	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M-H"	-1.007276
"903057"	231.106024	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-H"	-1.007276
"51965"	480.245871	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M-2H+NH4"	16.019271
"492620"	712.359171	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M-2H+NH4"	16.019271
"873703"	248.132571	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-2H+NH4"	16.019271
"39055"	485.201266	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M-2H+Na"	20.974666
"478615"	717.314566	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M-2H+Na"	20.974666
"855687"	253.087966	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-2H+Na"	20.974666
"1623036"	253.087966	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Na-2H"	20.974666
"96292"	249.094363	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M-H+Cl"	33.962126
"536942"	365.151013	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M-H+Cl"	33.962126
"929366"	133.037713	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-H+Cl"	33.962126
"271203"	499.196002	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+Cl"	34.969402
"660825"	731.309302	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+Cl"	34.969402
"1273271"	267.082702	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Cl"	34.969402
"21864"	501.175206	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M-2H+K"	36.948606
"460332"	733.288506	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M-2H+K"	36.948606
"839228"	269.061906	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-2H+K"	36.948606
"1564902"	269.061906	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+K-2H"	36.948606
"952787"	277.111494	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-H+HCOOH"	44.998194
"375376"	509.224801	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+HCOOH-H"	44.998201
"354887"	523.240451	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+Hac-H"	59.013851
"1507977"	291.127151	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Hac-H"	59.013851
"971269"	299.093451	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-H+NaCOOH"	66.980151
"124547"	267.082702	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+2Cl"	69.938804
"563011"	383.139352	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+2Cl"	69.938804
"1035091"	151.026052	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2Cl"	69.938804
"1253574"	311.032185	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Br"	78.918885
"1309463"	313.088172	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Cl+HCOOH"	80.974872
"1329152"	335.070129	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Cl+NaCOOH"	102.956829
"921307"	345.098886	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M-H+CF3COOH"	112.985586
"1295829"	381.075564	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Cl+CF3COOH"	148.962264
"1368885"	197.100624	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H-2H2O"	-35.012676
"1386018"	215.1106	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H-H2O"	-17.0027
"286796"	465.233876	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+H"	1.007276
"679218"	697.347176	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+H"	1.007276
"1354471"	233.120576	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H"	1.007276
"130647"	233.120576	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+2H"	2.014552
"569115"	349.177226	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+2H"	2.014552
"1045206"	117.063926	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2H"	2.014552
"210191"	155.749476	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+3H"	3.021828
"647565"	233.120576	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+3H"	3.021828
"1170063"	78.378376	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+3H"	3.021828
"430056"	482.260423	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+NH4"	18.033823
"797613"	714.373723	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+NH4"	18.033823
"1689569"	250.147123	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+NH4"	18.033823
"337850"	241.6338495	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+H+NH4"	19.041099
"733186"	357.6904995	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+H+NH4"	19.041099
"1482998"	125.5771995	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H+NH4"	19.041099
"400583"	487.215818	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+Na"	22.989218
"763400"	719.329118	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+Na"	22.989218
"1608583"	255.102518	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Na"	22.989218
"320804"	244.111547	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+H+Na"	23.996494
"709947"	360.168197	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+H+Na"	23.996494
"1461823"	128.054897	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H+Na"	23.996494
"1057008"	85.70569	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2H+Na"	25.00377
"1260145"	265.146786	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+CH3OH+H"	33.033486
"380545"	503.189758	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+K"	38.963158
"741542"	735.303058	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+K"	38.963158
"1544689"	271.076458	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+K"	38.963158
"301870"	252.098517	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+H+K"	39.970434
"706688"	368.155167	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+H+K"	39.970434
"1455768"	136.041867	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H+K"	39.970434
"250325"	506.260426	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+ACN+H"	42.033826
"1223154"	274.147126	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+ACN+H"	42.033826
"1208983"	137.577201	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+ACN+2H"	43.041102
"202952"	509.19776	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+2Na-H"	44.97116
"641414"	741.31106	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+2Na-H"	44.97116
"1142368"	277.08446	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2Na-H"	44.97116
"185297"	255.102518	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+2Na"	45.978436
"626681"	371.159168	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+2Na"	45.978436
"1125446"	139.045868	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2Na"	45.978436
"1402409"	93.033004	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H+2Na"	46.985712
"1441086"	279.126046	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H+HCOOH"	47.012746
"226407"	260.13554	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+3H2O+2H"	56.04448
"1519578"	293.17809	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+IsoProp+H"	61.06479
"416348"	263.089488	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+Na+K"	61.952376
"784031"	379.146138	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+Na+K"	61.952376
"1676957"	147.032838	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Na+K"	61.952376
"262017"	528.242368	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+ACN+Na"	64.015768
"1236185"	296.129068	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+ACN+Na"	64.015768
"1725804"	296.152593	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+NH4+HCOOH"	64.039293
"1187142"	100.360318	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+3Na"	68.967654
"1660314"	301.107988	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Na+HCOOH"	68.994688
"166083"	541.14564	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+2K-H"	76.91904
"603457"	773.25894	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+2K-H"	76.91904
"1091251"	309.03234	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2K-H"	76.91904
"149163"	271.076458	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"2M+2K"	77.926316
"590910"	387.133108	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"3M+2K"	77.926316
"1076515"	155.019808	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2K"	77.926316
"1105351"	311.046892	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2K+H"	78.933592
"1341738"	311.134507	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+DMSO+H"	79.021207
"1008082"	315.173676	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2ACN+H"	83.060376
"1529488"	316.167308	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+IsoProp+Na+H"	84.054008
"994842"	158.090476	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+2ACN+2H"	84.067652
"1590439"	317.081928	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+K+HCOOH"	84.968628
"1416096"	347.113438	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+H+CF3COOH"	115.000138
"1157327"	178.603751	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+3ACN+2H"	125.094202
"1702504"	364.139985	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+NH4+CF3COOH"	132.026685
"1641438"	369.09538	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+Na+CF3COOH"	136.98208
"1579277"	385.06932	"C17232"	"2-Oxo-10-methylthiodecanoic acid;10-Methylthio-2-decanoic acid"	"C11H20O3S"	"232.1133"	"M+K+CF3COOH"	152.95602
"801740"	233.145	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M"	0
"976612"	214.12661	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-H2O-H"	-19.01839
"74701"	154.422724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M-3H"	-3.021828
"516087"	232.137724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M-3H"	-3.021828
"886597"	76.707724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-3H"	-3.021828
"5174"	232.137724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M-2H"	-2.014552
"443643"	348.710224	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M-2H"	-2.014552
"822536"	115.565224	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-2H"	-2.014552
"81432"	465.282724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M-H"	-1.007276
"524273"	698.427724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M-H"	-1.007276
"899886"	232.137724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-H"	-1.007276
"55356"	482.309271	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M-2H+NH4"	16.019271
"493823"	715.454271	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M-2H+NH4"	16.019271
"869440"	249.164271	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-2H+NH4"	16.019271
"34062"	487.264666	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M-2H+Na"	20.974666
"474715"	720.409666	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M-2H+Na"	20.974666
"852517"	254.119666	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-2H+Na"	20.974666
"1628617"	254.119666	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Na-2H"	20.974666
"101870"	250.126063	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M-H+Cl"	33.962126
"539242"	366.698563	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M-H+Cl"	33.962126
"928504"	133.553563	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-H+Cl"	33.962126
"268276"	501.259402	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+Cl"	34.969402
"661548"	734.404402	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+Cl"	34.969402
"1277232"	268.114402	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Cl"	34.969402
"20881"	503.238606	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M-2H+K"	36.948606
"463722"	736.383606	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M-2H+K"	36.948606
"842618"	270.093606	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-2H+K"	36.948606
"1565012"	270.093606	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+K-2H"	36.948606
"952897"	278.143194	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-H+HCOOH"	44.998194
"373300"	511.288201	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+HCOOH-H"	44.998201
"358277"	525.303851	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+Hac-H"	59.013851
"1506386"	292.158851	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Hac-H"	59.013851
"970285"	300.125151	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-H+NaCOOH"	66.980151
"124291"	268.114402	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+2Cl"	69.938804
"556561"	384.686902	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+2Cl"	69.938804
"1025361"	151.541902	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2Cl"	69.938804
"1253685"	312.063885	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Br"	78.918885
"1307387"	314.119872	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Cl+HCOOH"	80.974872
"1330356"	336.101829	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Cl+NaCOOH"	102.956829
"913762"	346.130586	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M-H+CF3COOH"	112.985586
"1295939"	382.107264	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Cl+CF3COOH"	148.962264
"1373005"	198.132324	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H-2H2O"	-35.012676
"1389408"	216.1423	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H-H2O"	-17.0027
"284720"	467.297276	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+H"	1.007276
"678236"	700.442276	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+H"	1.007276
"1354587"	234.152276	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H"	1.007276
"128570"	234.152276	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+2H"	2.014552
"572505"	350.724776	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+2H"	2.014552
"1045316"	117.579776	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2H"	2.014552
"210301"	156.437276	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+3H"	3.021828
"653871"	234.152276	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+3H"	3.021828
"1172360"	78.722276	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+3H"	3.021828
"432353"	484.323823	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+NH4"	18.033823
"798087"	717.468823	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+NH4"	18.033823
"1691139"	251.178823	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+NH4"	18.033823
"335773"	242.6655495	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+H+NH4"	19.041099
"730380"	359.2380495	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+H+NH4"	19.041099
"1482017"	126.0930495	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H+NH4"	19.041099
"400693"	489.279218	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+Na"	22.989218
"764604"	722.424218	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+Na"	22.989218
"1609787"	256.134218	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Na"	22.989218
"317636"	245.143247	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+H+Na"	23.996494
"712244"	361.715747	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+H+Na"	23.996494
"1464972"	128.570747	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H+Na"	23.996494
"1055300"	86.04959	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2H+Na"	25.00377
"1262082"	266.178486	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+CH3OH+H"	33.033486
"383935"	505.253158	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+K"	38.963158
"742746"	738.398158	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+K"	38.963158
"1542615"	272.108158	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+K"	38.963158
"303073"	253.130217	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+H+K"	39.970434
"698777"	369.702717	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+H+K"	39.970434
"1454784"	136.557717	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H+K"	39.970434
"248854"	508.323826	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+ACN+H"	42.033826
"1224968"	275.178826	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+ACN+H"	42.033826
"1207512"	138.093051	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+ACN+2H"	43.041102
"202211"	511.26116	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+2Na-H"	44.97116
"638974"	744.40616	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+2Na-H"	44.97116
"1142848"	278.11616	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2Na-H"	44.97116
"184678"	256.134218	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+2Na"	45.978436
"625698"	372.706718	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+2Na"	45.978436
"1122276"	139.561718	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2Na"	45.978436
"1407986"	93.376904	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H+2Na"	46.985712
"1439007"	280.157746	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H+HCOOH"	47.012746
"225422"	261.16724	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+3H2O+2H"	56.04448
"1515678"	294.20979	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+IsoProp+H"	61.06479
"421565"	264.121188	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+Na+K"	61.952376
"782194"	380.693688	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+Na+K"	61.952376
"1675973"	147.548688	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Na+K"	61.952376
"265046"	530.305768	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+ACN+Na"	64.015768
"1236295"	297.160768	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+ACN+Na"	64.015768
"1726642"	297.184293	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+NH4+HCOOH"	64.039293
"1190535"	100.704218	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+3Na"	68.967654
"1662614"	302.139688	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Na+HCOOH"	68.994688
"164007"	543.20904	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+2K-H"	76.91904
"603569"	776.35404	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+2K-H"	76.91904
"1089173"	310.06404	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2K-H"	76.91904
"147086"	272.108158	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"2M+2K"	77.926316
"584095"	388.680658	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"3M+2K"	77.926316
"1073346"	155.535658	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2K"	77.926316
"1104368"	312.078592	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2K+H"	78.933592
"1341848"	312.166207	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+DMSO+H"	79.021207
"1012566"	316.205376	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2ACN+H"	83.060376
"1530692"	317.199008	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+IsoProp+Na+H"	84.054008
"994953"	158.606326	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+2ACN+2H"	84.067652
"1589455"	318.113628	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+K+HCOOH"	84.968628
"1415115"	348.145138	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+H+CF3COOH"	115.000138
"1155251"	179.119601	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+3ACN+2H"	125.094202
"1701521"	365.171685	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+NH4+CF3COOH"	132.026685
"1648109"	370.12708	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+Na+CF3COOH"	136.98208
"1579386"	386.10102	"C17233"	"Hexahomomethionine"	"C11H23NO2S"	"233.145"	"M+K+CF3COOH"	152.95602
"801851"	101.0477	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M"	0
"980002"	82.02931	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"66060"	66.3578573333333	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"507811"	100.040424	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"891081"	32.6752906666667	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"10751"	100.040424	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"443753"	150.564274	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"819364"	49.516574	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"81905"	201.088124	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"525476"	302.135824	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"900360"	100.040424	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"54372"	218.114671	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"493933"	319.162371	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"869550"	117.066971	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"34172"	223.070066	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"474097"	324.117766	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"851535"	122.022366	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1628727"	122.022366	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"101980"	118.028763	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"542632"	168.552613	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"929221"	67.504913	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"268264"	237.064802	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"662872"	338.112502	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1277342"	136.017102	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"19897"	239.044006	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"463832"	340.091706	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"844916"	137.996306	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1565122"	137.996306	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"955194"	146.045894	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"375597"	247.093601	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"357294"	261.109251	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1506132"	160.061551	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"968937"	168.027851	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"122580"	136.017102	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"561044"	186.540952	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1025107"	85.493252	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1250518"	179.966585	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1307496"	182.022572	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1328276"	204.004529	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"921165"	214.033286	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1299331"	250.009964	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1374209"	66.035024	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1390612"	84.045	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"285196"	203.102676	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"678711"	304.150376	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1354698"	102.054976	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"133054"	102.054976	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"574439"	152.578826	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1047977"	51.531126	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"214785"	68.3724093333333	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"654345"	102.054976	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1175750"	34.6898426666667	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"436837"	220.129223	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"799656"	321.176923	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1693800"	119.081523	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"333696"	110.5682495	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"728304"	161.0920995	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1484313"	60.0443995	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"399711"	225.084618	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"767630"	326.132318	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1612083"	124.036918	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"317744"	113.045947	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"711262"	163.569797	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1465082"	62.522097	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1054679"	42.0171566666667	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1262192"	134.081186	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"379672"	241.058558	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"747230"	342.106258	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1543818"	140.010858	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"305370"	121.032917	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"701803"	171.556767	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1459999"	70.509067	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"244589"	244.129226	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1223739"	143.081526	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1207379"	72.044401	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"202929"	247.06656	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"637992"	348.11426	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1141497"	146.01886	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"186005"	124.036918	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"625804"	174.560768	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1123480"	73.513068	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1407004"	49.3444706666667	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1438023"	148.060446	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"223346"	129.06994	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1515788"	162.11249	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"421308"	132.023888	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"783399"	182.547738	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1672803"	81.500038	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"265519"	266.111168	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1232032"	165.063468	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1725292"	165.086993	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1190645"	56.6717846666667	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1661631"	170.042388	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"164117"	279.01444	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"602585"	380.06214	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1086003"	177.96674	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"146102"	140.010858	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"583841"	190.534708	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1072726"	89.487008	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1105572"	179.981292	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1340865"	180.068907	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1011582"	184.108076	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1532988"	185.101708	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"996158"	92.557676	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1595035"	186.016328	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1417413"	216.047838	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1157547"	113.070951	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1700538"	233.074385	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1641658"	238.02978	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1579496"	254.00372	"C17234"	"2-Aminobut-2-enoate;(2Z)-2-Aminobut-2-enoic acid;2-Ammoniobut-2-enoate"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"809862"	179.0946	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M"	0
"980114"	160.07621	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"70546"	118.389124	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"511202"	178.087324	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"887911"	58.690924	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"10861"	178.087324	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"447142"	267.634624	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"819838"	88.540024	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"80193"	357.181924	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"522671"	536.276524	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"899378"	178.087324	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"55576"	374.208471	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"494043"	553.303071	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"871849"	195.113871	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"35377"	379.163866	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"474937"	558.258466	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"853831"	200.069266	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1624462"	200.069266	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"105370"	196.075663	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"542742"	285.622963	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"928359"	106.528363	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"271534"	393.158602	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"665049"	572.253202	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1281826"	214.064002	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"24382"	395.137806	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"465036"	574.232406	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"845026"	216.043206	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1565232"	216.043206	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"957860"	224.092794	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"370239"	403.187401	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"358498"	417.203051	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1505512"	238.108451	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"971960"	246.074751	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"122689"	214.064002	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"562247"	303.611302	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1033237"	124.516702	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1251721"	258.013485	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1308336"	260.069472	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1325106"	282.051429	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"919453"	292.080186	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1298348"	328.056864	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1374320"	144.081924	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1387807"	162.0919	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"283847"	359.196476	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"681737"	538.291076	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1360275"	180.101876	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"133164"	180.101876	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"577100"	269.649176	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1046994"	90.554576	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"217084"	120.403676	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"655187"	180.101876	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1175134"	60.705476	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"436947"	376.223023	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"799403"	555.317623	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1693910"	197.128423	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"330767"	188.6151495	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"730601"	278.1624495	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1484423"	99.0678495	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"399821"	381.178418	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"764094"	560.273018	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1614380"	202.083818	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"316764"	191.092847	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"713559"	280.640147	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1468472"	101.545547	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1055517"	68.03279	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1260114"	212.128086	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"381970"	397.152358	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"744058"	576.246958	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1543563"	218.057758	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"301105"	199.079817	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"704100"	288.627117	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1455005"	109.532517	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"247982"	400.223026	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1222875"	221.128426	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1209645"	111.067851	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"203925"	403.16036	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"640291"	582.25496	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1144524"	224.06576	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"183805"	202.083818	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"623362"	291.631118	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1123589"	112.536518	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1409300"	75.360104	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1437040"	226.107346	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"227829"	207.11684	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1519178"	240.15939	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"421418"	210.070788	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"782778"	299.618088	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1672914"	120.523488	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"260526"	422.204968	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1231049"	243.110368	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1725403"	243.133893	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1187475"	82.687418	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1661741"	248.089288	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"163134"	435.10824	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"600509"	614.20284	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1091582"	256.01364	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"147307"	218.057758	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"589055"	307.605058	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1073566"	128.510458	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1102040"	258.028192	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1340975"	258.115807	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1011693"	262.154976	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1530913"	263.148608	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"998454"	131.581126	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1592957"	264.063228	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1415699"	294.094738	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1154377"	152.094401	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1700648"	311.121285	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1641770"	316.07668	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1579607"	332.05062	"C17235"	"L-Homophenylalanine"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"809971"	149.0841	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M"	0
"975970"	130.06571	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-H2O-H"	-19.01839
"69563"	98.382124	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M-3H"	-3.021828
"512405"	148.076824	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M-3H"	-3.021828
"888021"	48.687424	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-3H"	-3.021828
"12065"	148.076824	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M-2H"	-2.014552
"449442"	222.618874	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M-2H"	-2.014552
"823959"	73.534774	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-2H"	-2.014552
"83951"	297.160924	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M-H"	-1.007276
"526792"	446.245024	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M-H"	-1.007276
"901312"	148.076824	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-H"	-1.007276
"52406"	314.187471	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M-2H+NH4"	16.019271
"498528"	463.271571	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M-2H+NH4"	16.019271
"871961"	165.103371	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-2H+NH4"	16.019271
"38766"	319.142866	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M-2H+Na"	20.974666
"481606"	468.226966	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M-2H+Na"	20.974666
"856127"	170.058766	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-2H+Na"	20.974666
"1625665"	170.058766	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Na-2H"	20.974666
"108396"	166.065163	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M-H+Cl"	33.962126
"546133"	240.607213	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M-H+Cl"	33.962126
"933088"	91.523113	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-H+Cl"	33.962126
"270551"	333.137602	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+Cl"	34.969402
"667346"	482.221702	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+Cl"	34.969402
"1281936"	184.053502	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Cl"	34.969402
"24492"	335.116806	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M-2H+K"	36.948606
"466240"	484.200906	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M-2H+K"	36.948606
"845136"	186.032706	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-2H+K"	36.948606
"1565342"	186.032706	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+K-2H"	36.948606
"956872"	194.082294	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-H+HCOOH"	44.998194
"372536"	343.166401	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+HCOOH-H"	44.998201
"358608"	357.182051	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+Hac-H"	59.013851
"1506352"	208.097951	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Hac-H"	59.013851
"972799"	216.064251	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-H+NaCOOH"	66.980151
"124620"	184.053502	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+2Cl"	69.938804
"562357"	258.595552	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+2Cl"	69.938804
"1034440"	109.511452	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2Cl"	69.938804
"1251831"	228.002985	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Br"	78.918885
"1310632"	230.058972	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Cl+HCOOH"	80.974872
"1328494"	252.040929	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Cl+NaCOOH"	102.956829
"921749"	262.069686	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M-H+CF3COOH"	112.985586
"1299551"	298.046364	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Cl+CF3COOH"	148.962264
"1377710"	114.071424	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H-2H2O"	-35.012676
"1388281"	132.0814	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H-H2O"	-17.0027
"286872"	299.175476	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+H"	1.007276
"681847"	448.259576	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+H"	1.007276
"1361478"	150.091376	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H"	1.007276
"133274"	150.091376	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+2H"	2.014552
"578303"	224.633426	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+2H"	2.014552
"1050020"	75.549326	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2H"	2.014552
"215736"	100.396676	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+3H"	3.021828
"657848"	150.091376	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+3H"	3.021828
"1175975"	50.701976	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+3H"	3.021828
"437058"	316.202023	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+NH4"	18.033823
"799514"	465.286123	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+NH4"	18.033823
"1695114"	167.117923	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+NH4"	18.033823
"331729"	158.6046495	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+H+NH4"	19.041099
"729618"	233.1466995	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+H+NH4"	19.041099
"1483439"	84.0625995	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H+NH4"	19.041099
"399931"	321.157418	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+Na"	22.989218
"763111"	470.241518	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+Na"	22.989218
"1612304"	172.073318	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Na"	22.989218
"319061"	161.082347	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+H+Na"	23.996494
"711483"	235.624397	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+H+Na"	23.996494
"1468584"	86.540297	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H+Na"	23.996494
"1054900"	58.02929	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2H+Na"	25.00377
"1260224"	182.117586	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+CH3OH+H"	33.033486
"384270"	337.131358	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+K"	38.963158
"745263"	486.215458	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+K"	38.963158
"1548410"	188.047258	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+K"	38.963158
"305587"	169.069317	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+H+K"	39.970434
"701294"	243.611367	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+H+K"	39.970434
"1455113"	94.527267	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H+K"	39.970434
"248090"	340.202026	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+ACN+H"	42.033826
"1213143"	191.117926	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+ACN+H"	42.033826
"1200307"	96.062601	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+ACN+2H"	43.041102
"201926"	343.13936	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+2Na-H"	44.97116
"639306"	492.22346	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+2Na-H"	44.97116
"1144634"	194.05526	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2Na-H"	44.97116
"186466"	172.073318	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+2Na"	45.978436
"623472"	246.615368	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+2Na"	45.978436
"1125886"	97.531268	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2Na"	45.978436
"1409410"	65.356604	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H+2Na"	46.985712
"1439337"	196.096846	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H+HCOOH"	47.012746
"227939"	177.10634	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+3H2O+2H"	56.04448
"1520381"	210.14889	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+IsoProp+H"	61.06479
"420069"	180.060288	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+Na+K"	61.952376
"785319"	254.602338	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+Na+K"	61.952376
"1677398"	105.518238	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Na+K"	61.952376
"265010"	362.183968	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+ACN+Na"	64.015768
"1232252"	213.099868	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+ACN+Na"	64.015768
"1727335"	213.123393	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+NH4+HCOOH"	64.039293
"1189771"	72.683918	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+3Na"	68.967654
"1662944"	218.078788	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Na+HCOOH"	68.994688
"163243"	375.08724	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+2K-H"	76.91904
"602805"	524.17134	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+2K-H"	76.91904
"1091692"	226.00314	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2K-H"	76.91904
"145230"	188.047258	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"2M+2K"	77.926316
"588072"	262.589308	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"3M+2K"	77.926316
"1073676"	113.505208	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2K"	77.926316
"1102392"	228.017692	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2K+H"	78.933592
"1341085"	228.105307	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+DMSO+H"	79.021207
"1011803"	232.144476	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2ACN+H"	83.060376
"1532117"	233.138108	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+IsoProp+Na+H"	84.054008
"998564"	116.575876	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+2ACN+2H"	84.067652
"1593067"	234.052728	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+K+HCOOH"	84.968628
"1416538"	264.084238	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+H+CF3COOH"	115.000138
"1151207"	137.089151	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+3ACN+2H"	125.094202
"1698571"	281.110785	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+NH4+CF3COOH"	132.026685
"1641880"	286.06618	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+Na+CF3COOH"	136.98208
"1579717"	302.04012	"C17236"	"3-Phenylpropionaldoxim"	"C9H11NO"	"149.0841"	"M+K+CF3COOH"	152.95602
"808988"	254.0725	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M"	0
"974223"	235.05411	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-H2O-H"	-19.01839
"67486"	168.374390666667	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M-3H"	-3.021828
"512515"	253.065224	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M-3H"	-3.021828
"887037"	83.6835573333333	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-3H"	-3.021828
"8892"	253.065224	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M-2H"	-2.014552
"450643"	380.101474	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M-2H"	-2.014552
"820789"	126.028974	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-2H"	-2.014552
"80781"	507.137724	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M-H"	-1.007276
"520341"	761.210224	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M-H"	-1.007276
"896683"	253.065224	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-H"	-1.007276
"54703"	524.164271	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M-2H+NH4"	16.019271
"492078"	778.236771	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M-2H+NH4"	16.019271
"870975"	270.091771	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-2H+NH4"	16.019271
"35597"	529.119666	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M-2H+Na"	20.974666
"479529"	783.192166	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M-2H+Na"	20.974666
"851863"	275.047166	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-2H+Na"	20.974666
"1624682"	275.047166	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Na-2H"	20.974666
"109357"	271.053563	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M-H+Cl"	33.962126
"545150"	398.089813	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M-H+Cl"	33.962126
"929188"	144.017313	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-H+Cl"	33.962126
"271754"	543.114402	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+Cl"	34.969402
"662353"	797.186902	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+Cl"	34.969402
"1278766"	289.041902	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Cl"	34.969402
"24602"	545.093606	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M-2H+K"	36.948606
"463069"	799.166106	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M-2H+K"	36.948606
"845975"	291.021106	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-2H+K"	36.948606
"1565451"	291.021106	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+K-2H"	36.948606
"956618"	299.070694	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-H+HCOOH"	44.998194
"373375"	553.143201	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+HCOOH-H"	44.998201
"358718"	567.158851	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+Hac-H"	59.013851
"1505366"	313.086351	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Hac-H"	59.013851
"973272"	321.052651	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-H+NaCOOH"	66.980151
"123637"	289.041902	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+2Cl"	69.938804
"562467"	416.078152	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+2Cl"	69.938804
"1030175"	162.005652	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2Cl"	69.938804
"1250848"	332.991385	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Br"	78.918885
"1310014"	335.047372	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Cl+HCOOH"	80.974872
"1325688"	357.029329	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Cl+NaCOOH"	102.956829
"921858"	367.058086	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M-H+CF3COOH"	112.985586
"1301483"	403.034764	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Cl+CF3COOH"	148.962264
"1376364"	219.059824	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H-2H2O"	-35.012676
"1386204"	237.0698	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H-H2O"	-17.0027
"289532"	509.152276	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+H"	1.007276
"683049"	763.224776	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+H"	1.007276
"1362682"	255.079776	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H"	1.007276
"130104"	255.079776	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+2H"	2.014552
"577321"	382.116026	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+2H"	2.014552
"1050130"	128.043526	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2H"	2.014552
"216941"	170.388942666667	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+3H"	3.021828
"657229"	255.079776	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+3H"	3.021828
"1174989"	85.6981093333333	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+3H"	3.021828
"434982"	526.178823	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+NH4"	18.033823
"799623"	780.251323	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+NH4"	18.033823
"1694131"	272.106323	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+NH4"	18.033823
"335120"	263.5930495	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+H+NH4"	19.041099
"728634"	390.6292995	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+H+NH4"	19.041099
"1484642"	136.5567995	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H+NH4"	19.041099
"397854"	531.134218	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+Na"	22.989218
"764315"	785.206718	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+Na"	22.989218
"1611322"	277.061718	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Na"	22.989218
"319172"	266.070747	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+H+Na"	23.996494
"711593"	393.106997	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+H+Na"	23.996494
"1465414"	139.034497	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H+Na"	23.996494
"1059745"	93.0254233333333	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2H+Na"	25.00377
"1257903"	287.105986	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+CH3OH+H"	33.033486
"382193"	547.108158	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+K"	38.963158
"743186"	801.180658	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+K"	38.963158
"1545240"	293.035658	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+K"	38.963158
"304604"	274.057717	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+H+K"	39.970434
"701404"	401.093967	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+H+K"	39.970434
"1454130"	147.021467	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H+K"	39.970434
"243827"	550.178826	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+ACN+H"	42.033826
"1212160"	296.106326	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+ACN+H"	42.033826
"1199323"	148.556801	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+ACN+2H"	43.041102
"199849"	553.11616	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+2Na-H"	44.97116
"641602"	807.18866	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+2Na-H"	44.97116
"1144015"	299.04366	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2Na-H"	44.97116
"185846"	277.061718	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+2Na"	45.978436
"623218"	404.097968	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+2Na"	45.978436
"1123810"	150.025468	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2Na"	45.978436
"1408427"	100.352737333333	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H+2Na"	46.985712
"1437261"	301.085246	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H+HCOOH"	47.012746
"226956"	282.09474	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+3H2O+2H"	56.04448
"1517210"	315.13729	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+IsoProp+H"	61.06479
"417992"	285.048688	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+Na+K"	61.952376
"784452"	412.084938	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+Na+K"	61.952376
"1675320"	158.012438	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Na+K"	61.952376
"263662"	572.160768	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+ACN+Na"	64.015768
"1234548"	318.088268	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+ACN+Na"	64.015768
"1727444"	318.111793	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+NH4+HCOOH"	64.039293
"1190973"	107.680051333333	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+3Na"	68.967654
"1663053"	323.067188	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Na+HCOOH"	68.994688
"164445"	585.06404	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+2K-H"	76.91904
"601820"	839.13654	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+2K-H"	76.91904
"1087791"	330.99154	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2K-H"	76.91904
"143879"	293.035658	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"2M+2K"	77.926316
"588182"	420.071908	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"3M+2K"	77.926316
"1070504"	165.999408	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2K"	77.926316
"1103718"	333.006092	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2K+H"	78.933592
"1340102"	333.093707	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+DMSO+H"	79.021207
"1011913"	337.132876	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2ACN+H"	83.060376
"1533320"	338.126508	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+IsoProp+Na+H"	84.054008
"999767"	169.070076	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+2ACN+2H"	84.067652
"1593177"	339.041128	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+K+HCOOH"	84.968628
"1417011"	369.072638	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+H+CF3COOH"	115.000138
"1151317"	189.583351	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+3ACN+2H"	125.094202
"1698681"	386.099185	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+NH4+CF3COOH"	132.026685
"1641990"	391.05458	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+Na+CF3COOH"	136.98208
"1579827"	407.02852	"C17237"	"S-(Phenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O3S"	"254.0725"	"M+K+CF3COOH"	152.95602
"809098"	270.0674	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M"	0
"978255"	251.04901	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-H2O-H"	-19.01839
"69783"	179.037657333333	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M-3H"	-3.021828
"511532"	269.060124	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M-3H"	-3.021828
"887147"	89.0151906666667	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-3H"	-3.021828
"9002"	269.060124	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M-2H"	-2.014552
"448566"	404.093824	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M-2H"	-2.014552
"819806"	134.026424	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-2H"	-2.014552
"79189"	539.127524	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M-H"	-1.007276
"519717"	809.194924	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M-H"	-1.007276
"897155"	269.060124	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-H"	-1.007276
"51533"	556.154071	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M-2H+NH4"	16.019271
"493282"	826.221471	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M-2H+NH4"	16.019271
"868899"	286.086671	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-2H+NH4"	16.019271
"35707"	561.109466	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M-2H+Na"	20.974666
"478548"	831.176866	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M-2H+Na"	20.974666
"853067"	291.042066	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-2H+Na"	20.974666
"1626979"	291.042066	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Na-2H"	20.974666
"105699"	287.048463	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M-H+Cl"	33.962126
"545260"	422.082163	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M-H+Cl"	33.962126
"930027"	152.014763	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-H+Cl"	33.962126
"271864"	575.104202	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+Cl"	34.969402
"662463"	845.171602	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+Cl"	34.969402
"1284343"	305.036802	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Cl"	34.969402
"26899"	577.083406	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M-2H+K"	36.948606
"467190"	847.150806	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M-2H+K"	36.948606
"839888"	307.016006	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-2H+K"	36.948606
"1560094"	307.016006	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+K-2H"	36.948606
"952352"	315.065594	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-H+HCOOH"	44.998194
"374215"	585.133001	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+HCOOH-H"	44.998201
"357370"	599.148651	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+Hac-H"	59.013851
"1504749"	329.081251	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Hac-H"	59.013851
"971560"	337.047551	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-H+NaCOOH"	66.980151
"118644"	305.036802	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+2Cl"	69.938804
"562576"	440.070502	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+2Cl"	69.938804
"1028461"	170.003102	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2Cl"	69.938804
"1249134"	348.986285	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Br"	78.918885
"1309032"	351.042272	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Cl+HCOOH"	80.974872
"1328716"	373.024229	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Cl+NaCOOH"	102.956829
"925247"	383.052986	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M-H+CF3COOH"	112.985586
"1300863"	419.029664	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Cl+CF3COOH"	148.962264
"1372098"	235.054724	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H-2H2O"	-35.012676
"1389958"	253.0647	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H-H2O"	-17.0027
"288550"	541.142076	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+H"	1.007276
"678784"	811.209476	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+H"	1.007276
"1363157"	271.074676	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H"	1.007276
"131307"	271.074676	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+2H"	2.014552
"577431"	406.108376	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+2H"	2.014552
"1051336"	136.040976	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2H"	2.014552
"216322"	181.052209333333	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+3H"	3.021828
"656973"	271.074676	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+3H"	3.021828
"1175097"	91.0297426666667	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+3H"	3.021828
"435092"	558.168623	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+NH4"	18.033823
"797911"	828.236023	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+NH4"	18.033823
"1691326"	288.101223	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+NH4"	18.033823
"336324"	279.5879495	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+H+NH4"	19.041099
"730931"	414.6216495	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+H+NH4"	19.041099
"1483659"	144.5542495	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H+NH4"	19.041099
"396871"	563.124018	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+Na"	22.989218
"763334"	833.191418	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+Na"	22.989218
"1612525"	293.056618	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Na"	22.989218
"319282"	282.065647	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+H+Na"	23.996494
"712796"	417.099347	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+H+Na"	23.996494
"1465524"	147.031947	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H+Na"	23.996494
"1057668"	98.3570566666667	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2H+Na"	25.00377
"1258379"	303.100886	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+CH3OH+H"	33.033486
"382303"	579.097958	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+K"	38.963158
"742203"	849.165358	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+K"	38.963158
"1548633"	309.030558	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+K"	38.963158
"303624"	290.052617	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+H+K"	39.970434
"703703"	425.086317	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+H+K"	39.970434
"1456426"	155.018917	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H+K"	39.970434
"250378"	582.168626	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+ACN+H"	42.033826
"1215551"	312.101226	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+ACN+H"	42.033826
"1207818"	156.554251	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+ACN+2H"	43.041102
"203120"	585.10596	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+2Na-H"	44.97116
"639523"	855.17336	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+2Na-H"	44.97116
"1141938"	315.03856	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2Na-H"	44.97116
"184500"	293.056618	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+2Na"	45.978436
"623329"	428.090318	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+2Na"	45.978436
"1125012"	158.022918	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2Na"	45.978436
"1406349"	105.684370666667	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H+2Na"	46.985712
"1439558"	317.080146	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H+HCOOH"	47.012746
"227066"	298.08964	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+3H2O+2H"	56.04448
"1514036"	331.13219	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+IsoProp+H"	61.06479
"419194"	301.043588	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+Na+K"	61.952376
"783468"	436.077288	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+Na+K"	61.952376
"1674336"	166.009888	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Na+K"	61.952376
"260856"	604.150568	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+ACN+Na"	64.015768
"1234658"	334.083168	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+ACN+Na"	64.015768
"1721359"	334.106693	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+NH4+HCOOH"	64.039293
"1187804"	113.011684666667	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+3Na"	68.967654
"1659884"	339.062088	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Na+HCOOH"	68.994688
"165650"	617.05384	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+2K-H"	76.91904
"601934"	887.12124	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+2K-H"	76.91904
"1087175"	346.98644	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2K-H"	76.91904
"153106"	309.030558	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"2M+2K"	77.926316
"588293"	444.064258	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"3M+2K"	77.926316
"1073898"	173.996858	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2K"	77.926316
"1103828"	349.000992	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2K+H"	78.933592
"1341307"	349.088607	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+DMSO+H"	79.021207
"1013117"	353.127776	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2ACN+H"	83.060376
"1537564"	354.121408	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+IsoProp+Na+H"	84.054008
"1000972"	177.067526	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+2ACN+2H"	84.067652
"1597662"	355.036028	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+K+HCOOH"	84.968628
"1416760"	385.067538	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+H+CF3COOH"	115.000138
"1147080"	197.580801	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+3ACN+2H"	125.094202
"1698789"	402.094085	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+NH4+CF3COOH"	132.026685
"1643193"	407.04948	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+Na+CF3COOH"	136.98208
"1579937"	423.02342	"C17238"	"S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine"	"C11H14N2O4S"	"270.0674"	"M+K+CF3COOH"	152.95602
"809208"	183.0354	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M"	0
"977273"	164.01701	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-H2O-H"	-19.01839
"72081"	121.016324	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M-3H"	-3.021828
"510549"	182.028124	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M-3H"	-3.021828
"887257"	60.004524	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-3H"	-3.021828
"11299"	182.028124	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M-2H"	-2.014552
"449772"	273.545824	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M-2H"	-2.014552
"826478"	90.510424	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-2H"	-2.014552
"81002"	365.063524	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M-H"	-1.007276
"524936"	548.098924	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M-H"	-1.007276
"900552"	182.028124	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-H"	-1.007276
"57112"	382.090071	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M-2H+NH4"	16.019271
"495579"	565.125471	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M-2H+NH4"	16.019271
"869010"	199.054671	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-2H+NH4"	16.019271
"34726"	387.045466	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M-2H+Na"	20.974666
"478660"	570.080866	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M-2H+Na"	20.974666
"853177"	204.010066	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-2H+Na"	20.974666
"1625996"	204.010066	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Na-2H"	20.974666
"103619"	200.016463	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M-H+Cl"	33.962126
"545366"	291.534163	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M-H+Cl"	33.962126
"933415"	108.498763	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-H+Cl"	33.962126
"274160"	401.040202	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+Cl"	34.969402
"666583"	584.075602	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+Cl"	34.969402
"1283362"	218.004802	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Cl"	34.969402
"21544"	403.019406	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M-2H+K"	36.948606
"464385"	586.054806	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M-2H+K"	36.948606
"839636"	219.984006	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-2H+K"	36.948606
"1565675"	219.984006	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+K-2H"	36.948606
"951371"	228.033594	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-H+HCOOH"	44.998194
"373596"	411.069001	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+HCOOH-H"	44.998201
"355656"	425.084651	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+Hac-H"	59.013851
"1501210"	242.049251	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Hac-H"	59.013851
"969484"	250.015551	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-H+NaCOOH"	66.980151
"120941"	218.004802	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+2Cl"	69.938804
"558317"	309.522502	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+2Cl"	69.938804
"1029301"	126.487102	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2Cl"	69.938804
"1247785"	261.954285	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Br"	78.918885
"1304643"	264.010272	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Cl+HCOOH"	80.974872
"1328826"	285.992229	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Cl+NaCOOH"	102.956829
"925479"	296.020986	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M-H+CF3COOH"	112.985586
"1297693"	331.997664	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Cl+CF3COOH"	148.962264
"1373668"	148.022724	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H-2H2O"	-35.012676
"1391164"	166.0327	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H-H2O"	-17.0027
"286476"	367.078076	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+H"	1.007276
"682178"	550.113476	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+H"	1.007276
"1361809"	184.042676	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H"	1.007276
"131418"	184.042676	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+2H"	2.014552
"578635"	275.560376	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+2H"	2.014552
"1048530"	92.524976	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2H"	2.014552
"213151"	123.030876	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+3H"	3.021828
"653803"	184.042676	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+3H"	3.021828
"1171929"	62.019076	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+3H"	3.021828
"427547"	384.104623	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+NH4"	18.033823
"785990"	567.140023	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+NH4"	18.033823
"1682079"	201.069223	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+NH4"	18.033823
"336434"	192.5559495	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+H+NH4"	19.041099
"726667"	284.0736495	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+H+NH4"	19.041099
"1482674"	101.0382495	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H+NH4"	19.041099
"399167"	389.060018	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+Na"	22.989218
"764536"	572.095418	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+Na"	22.989218
"1610447"	206.024618	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Na"	22.989218
"318300"	195.033647	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+H+Na"	23.996494
"715094"	286.551347	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+H+Na"	23.996494
"1472195"	103.515947	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H+Na"	23.996494
"1054505"	69.34639	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2H+Na"	25.00377
"1260557"	216.068886	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+CH3OH+H"	33.033486
"383507"	405.033958	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+K"	38.963158
"745599"	588.069358	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+K"	38.963158
"1550935"	221.998558	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+K"	38.963158
"312485"	203.020617	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+H+K"	39.970434
"704908"	294.538317	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+H+K"	39.970434
"1458728"	111.502917	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H+K"	39.970434
"245145"	408.104626	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+ACN+H"	42.033826
"1220038"	225.069226	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+ACN+H"	42.033826
"1206113"	113.038251	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+ACN+2H"	43.041102
"200805"	411.04196	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+2Na-H"	44.97116
"640732"	594.07736	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+2Na-H"	44.97116
"1142048"	228.00656	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2Na-H"	44.97116
"186073"	206.024618	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+2Na"	45.978436
"625994"	297.542318	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+2Na"	45.978436
"1125123"	114.506918	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2Na"	45.978436
"1411199"	76.673704	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H+2Na"	46.985712
"1441491"	230.048146	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H+HCOOH"	47.012746
"227904"	211.05764	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+3H2O+2H"	56.04448
"1513052"	244.10019	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+IsoProp+H"	61.06479
"420763"	214.011588	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+Na+K"	61.952376
"783217"	305.529288	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+Na+K"	61.952376
"1670074"	122.493888	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Na+K"	61.952376
"257688"	430.086568	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+ACN+Na"	64.015768
"1231490"	247.051168	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+ACN+Na"	64.015768
"1721470"	247.074693	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+NH4+HCOOH"	64.039293
"1184637"	84.001018	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+3Na"	68.967654
"1656716"	252.030088	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Na+HCOOH"	68.994688
"163574"	442.98984	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+2K-H"	76.91904
"600586"	626.02524	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+2K-H"	76.91904
"1090932"	259.95444	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2K-H"	76.91904
"155162"	221.998558	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"2M+2K"	77.926316
"591685"	313.516258	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"3M+2K"	77.926316
"1077290"	130.480858	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2K"	77.926316
"1109407"	261.968992	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2K+H"	78.933592
"1348829"	262.056607	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+DMSO+H"	79.021207
"1015416"	266.095776	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2ACN+H"	83.060376
"1531355"	267.089408	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+IsoProp+Na+H"	84.054008
"1001082"	133.551526	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+2ACN+2H"	84.067652
"1594492"	268.004028	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+K+HCOOH"	84.968628
"1423430"	298.035538	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+H+CF3COOH"	115.000138
"1151532"	154.064801	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+3ACN+2H"	125.094202
"1697102"	315.062085	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+NH4+CF3COOH"	132.026685
"1634547"	320.01748	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+Na+CF3COOH"	136.98208
"1580047"	335.99142	"C17239"	"p-Hydroxyphenylacetothiohydroximate"	"C8H9NO2S"	"183.0354"	"M+K+CF3COOH"	152.95602
"809318"	345.0882	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M"	0
"976289"	326.06981	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-H2O-H"	-19.01839
"72191"	229.051524	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M-3H"	-3.021828
"507376"	344.080924	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M-3H"	-3.021828
"887366"	114.022124	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-3H"	-3.021828
"12501"	344.080924	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M-2H"	-2.014552
"448783"	516.625024	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M-2H"	-2.014552
"824398"	171.536824	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-2H"	-2.014552
"87672"	689.169124	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M-H"	-1.007276
"522859"	1034.257324	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M-H"	-1.007276
"903942"	344.080924	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-H"	-1.007276
"48717"	706.195671	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M-2H+NH4"	16.019271
"489125"	1051.283871	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M-2H+NH4"	16.019271
"866932"	361.107471	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-2H+NH4"	16.019271
"34836"	711.151066	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M-2H+Na"	20.974666
"472330"	1056.239266	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M-2H+Na"	20.974666
"851101"	366.062866	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-2H+Na"	20.974666
"1626106"	366.062866	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Na-2H"	20.974666
"105916"	362.069263	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M-H+Cl"	33.962126
"545476"	534.613363	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M-H+Cl"	33.962126
"936805"	189.525163	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-H+Cl"	33.962126
"277550"	725.145802	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+Cl"	34.969402
"666693"	1070.234002	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+Cl"	34.969402
"1284201"	380.057602	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Cl"	34.969402
"27121"	727.125006	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M-2H+K"	36.948606
"465589"	1072.213206	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M-2H+K"	36.948606
"841569"	382.036806	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-2H+K"	36.948606
"1569065"	382.036806	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+K-2H"	36.948606
"954761"	390.086394	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-H+HCOOH"	44.998194
"373706"	735.174601	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+HCOOH-H"	44.998201
"355766"	749.190251	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+Hac-H"	59.013851
"1501320"	404.102051	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Hac-H"	59.013851
"968866"	412.068351	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-H+NaCOOH"	66.980151
"117774"	380.057602	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+2Cl"	69.938804
"559520"	552.601702	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+2Cl"	69.938804
"1029413"	207.513502	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2Cl"	69.938804
"1248990"	424.007085	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Br"	78.918885
"1307428"	426.063072	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Cl+HCOOH"	80.974872
"1328936"	448.045029	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Cl+NaCOOH"	102.956829
"925466"	458.073786	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M-H+CF3COOH"	112.985586
"1298897"	494.050464	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Cl+CF3COOH"	148.962264
"1373779"	310.075524	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H-2H2O"	-35.012676
"1391274"	328.0855	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H-H2O"	-17.0027
"289868"	691.183676	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+H"	1.007276
"683382"	1036.271876	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+H"	1.007276
"1360826"	346.095476	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H"	1.007276
"134808"	346.095476	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+2H"	2.014552
"578746"	518.639576	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+2H"	2.014552
"1047547"	173.551376	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2H"	2.014552
"212168"	231.066076	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+3H"	3.021828
"653914"	346.095476	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+3H"	3.021828
"1168759"	116.036676	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+3H"	3.021828
"426928"	708.210223	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+NH4"	18.033823
"787070"	1053.298423	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+NH4"	18.033823
"1685348"	363.122023	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+NH4"	18.033823
"337637"	354.6087495	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+H+NH4"	19.041099
"726777"	527.1528495	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+H+NH4"	19.041099
"1480598"	182.0646495	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H+NH4"	19.041099
"400370"	713.165618	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+Na"	22.989218
"763552"	1058.253818	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+Na"	22.989218
"1611650"	368.077418	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Na"	22.989218
"320597"	357.086447	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+H+Na"	23.996494
"711925"	529.630547	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+H+Na"	23.996494
"1471213"	184.542347	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H+Na"	23.996494
"1056802"	123.36399	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2H+Na"	25.00377
"1261762"	378.121686	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+CH3OH+H"	33.033486
"384711"	729.139558	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+K"	38.963158
"747895"	1074.227758	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+K"	38.963158
"1548858"	384.051358	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+K"	38.963158
"310408"	365.073417	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+H+K"	39.970434
"698457"	537.617517	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+H+K"	39.970434
"1455557"	192.529317	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H+K"	39.970434
"245255"	732.210226	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+ACN+H"	42.033826
"1219053"	387.122026	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+ACN+H"	42.033826
"1205125"	194.064651	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+ACN+2H"	43.041102
"202369"	735.14756	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+2Na-H"	44.97116
"639745"	1080.23576	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+2Na-H"	44.97116
"1142158"	390.05936	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2Na-H"	44.97116
"183262"	368.077418	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+2Na"	45.978436
"624643"	540.621518	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+2Na"	45.978436
"1127783"	195.533318	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2Na"	45.978436
"1407664"	130.691304	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H+2Na"	46.985712
"1439778"	392.100946	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H+HCOOH"	47.012746
"226190"	373.11044	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+3H2O+2H"	56.04448
"1512070"	406.15299	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+IsoProp+H"	61.06479
"420144"	376.064388	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+Na+K"	61.952376
"782599"	548.608488	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+Na+K"	61.952376
"1670185"	203.520288	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Na+K"	61.952376
"254516"	754.192168	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+ACN+Na"	64.015768
"1234880"	409.103968	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+ACN+Na"	64.015768
"1723403"	409.127493	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+NH4+HCOOH"	64.039293
"1191308"	138.018618	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+3Na"	68.967654
"1661201"	414.082888	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Na+HCOOH"	68.994688
"165871"	767.09544	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+2K-H"	76.91904
"600332"	1112.18364	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+2K-H"	76.91904
"1091042"	422.00724	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2K-H"	76.91904
"154421"	384.051358	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"2M+2K"	77.926316
"592888"	556.595458	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"3M+2K"	77.926316
"1078494"	211.507258	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2K"	77.926316
"1109517"	424.021792	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2K+H"	78.933592
"1349912"	424.109407	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+DMSO+H"	79.021207
"1016619"	428.148576	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2ACN+H"	83.060376
"1531465"	429.142208	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+IsoProp+Na+H"	84.054008
"1001192"	214.577926	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+2ACN+2H"	84.067652
"1595695"	430.056828	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+K+HCOOH"	84.968628
"1423540"	460.088338	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+H+CF3COOH"	115.000138
"1152735"	235.091201	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+3ACN+2H"	125.094202
"1699009"	477.114885	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+NH4+CF3COOH"	132.026685
"1635143"	482.07028	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+Na+CF3COOH"	136.98208
"1580157"	498.04422	"C17240"	"p-Hydroxybenzyldesulphoglucosinolate;Desulfo-p-hydroxybenzylglucosinolate"	"C14H19NO7S"	"345.0882"	"M+K+CF3COOH"	152.95602
"810521"	133.0561	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M"	0
"977493"	114.03771	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-H2O-H"	-19.01839
"72301"	87.6967906666666	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M-3H"	-3.021828
"507486"	132.048824	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M-3H"	-3.021828
"887476"	43.3447573333333	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-3H"	-3.021828
"10425"	132.048824	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M-2H"	-2.014552
"452906"	198.576874	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M-2H"	-2.014552
"824508"	65.520774	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-2H"	-2.014552
"86689"	265.104924	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M-H"	-1.007276
"522969"	398.161024	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M-H"	-1.007276
"899678"	132.048824	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-H"	-1.007276
"48945"	282.131471	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M-2H+NH4"	16.019271
"489235"	415.187571	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M-2H+NH4"	16.019271
"864977"	149.075371	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-2H+NH4"	16.019271
"38225"	287.086866	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M-2H+Na"	20.974666
"474505"	420.142966	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M-2H+Na"	20.974666
"850117"	154.030766	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-2H+Na"	20.974666
"1627309"	154.030766	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Na-2H"	20.974666
"107119"	150.037163	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M-H+Cl"	33.962126
"546679"	216.565213	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M-H+Cl"	33.962126
"935822"	83.509113	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-H+Cl"	33.962126
"276567"	301.081602	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+Cl"	34.969402
"667896"	434.137702	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+Cl"	34.969402
"1283582"	168.025502	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Cl"	34.969402
"22857"	303.060806	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M-2H+K"	36.948606
"465699"	436.116906	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M-2H+K"	36.948606
"845686"	170.004706	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-2H+K"	36.948606
"1565166"	170.004706	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+K-2H"	36.948606
"948309"	178.054294	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-H+HCOOH"	44.998194
"373087"	311.110401	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+HCOOH-H"	44.998201
"355876"	325.126051	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+Hac-H"	59.013851
"1501430"	192.069951	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Hac-H"	59.013851
"970067"	200.036251	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-H+NaCOOH"	66.980151
"120433"	168.025502	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+2Cl"	69.938804
"558538"	234.553552	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+2Cl"	69.938804
"1028430"	101.497452	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2Cl"	69.938804
"1248006"	211.974985	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Br"	78.918885
"1306810"	214.030972	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Cl+HCOOH"	80.974872
"1322847"	236.012929	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Cl+NaCOOH"	102.956829
"914271"	246.041686	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M-H+CF3COOH"	112.985586
"1296815"	282.018364	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Cl+CF3COOH"	148.962264
"1374982"	98.043424	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H-2H2O"	-35.012676
"1389200"	116.0534	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H-H2O"	-17.0027
"289978"	267.119476	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+H"	1.007276
"686773"	400.175576	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+H"	1.007276
"1357655"	134.063376	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H"	1.007276
"137105"	134.063376	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+2H"	2.014552
"578856"	200.591426	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+2H"	2.014552
"1048752"	67.535326	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2H"	2.014552
"215557"	89.7113426666667	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+3H"	3.021828
"654024"	134.063376	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+3H"	3.021828
"1169964"	45.3593093333333	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+3H"	3.021828
"426673"	284.146023	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+NH4"	18.033823
"786939"	417.202123	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+NH4"	18.033823
"1684365"	151.089923	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+NH4"	18.033823
"336654"	142.5766495	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+H+NH4"	19.041099
"725429"	209.1046995	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+H+NH4"	19.041099
"1485083"	76.0485995	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H+NH4"	19.041099
"400481"	289.101418	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+Na"	22.989218
"762570"	422.157518	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+Na"	22.989218
"1611760"	156.045318	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Na"	22.989218
"319612"	145.054347	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+H+Na"	23.996494
"713128"	211.582397	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+H+Na"	23.996494
"1471320"	78.526297	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H+Na"	23.996494
"1056183"	52.6866233333333	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2H+Na"	25.00377
"1265153"	166.089586	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+CH3OH+H"	33.033486
"381543"	305.075358	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+K"	38.963158
"750195"	438.131458	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+K"	38.963158
"1552246"	172.019258	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+K"	38.963158
"310518"	153.041317	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+H+K"	39.970434
"700754"	219.569367	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+H+K"	39.970434
"1457855"	86.513267	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H+K"	39.970434
"245366"	308.146026	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+ACN+H"	42.033826
"1216978"	175.089926	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+ACN+H"	42.033826
"1206329"	88.048601	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+ACN+2H"	43.041102
"202479"	311.08336	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+2Na-H"	44.97116
"640587"	444.13946	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+2Na-H"	44.97116
"1143726"	178.02726	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2Na-H"	44.97116
"185560"	156.045318	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+2Na"	45.978436
"625483"	222.573368	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+2Na"	45.978436
"1128258"	89.517268	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2Na"	45.978436
"1410690"	60.0139373333333	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H+2Na"	46.985712
"1442076"	180.068846	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H+HCOOH"	47.012746
"227394"	161.07834	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+3H2O+2H"	56.04448
"1512180"	194.12089	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+IsoProp+H"	61.06479
"420253"	164.032288	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+Na+K"	61.952376
"783802"	230.560338	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+Na+K"	61.952376
"1672481"	97.504238	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Na+K"	61.952376
"253898"	330.127968	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+ACN+Na"	64.015768
"1238271"	197.071868	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+ACN+Na"	64.015768
"1724971"	197.095393	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+NH4+HCOOH"	64.039293
"1190325"	67.3412513333333	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+3Na"	68.967654
"1663498"	202.050788	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Na+HCOOH"	68.994688
"171086"	343.03124	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+2K-H"	76.91904
"604453"	476.08734	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+2K-H"	76.91904
"1091152"	209.97514	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2K-H"	76.91904
"154531"	172.019258	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"2M+2K"	77.926316
"590812"	238.547308	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"3M+2K"	77.926316
"1081884"	105.491208	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2K"	77.926316
"1112907"	211.989692	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2K+H"	78.933592
"1350386"	212.077307	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+DMSO+H"	79.021207
"1015636"	216.116476	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2ACN+H"	83.060376
"1533762"	217.110108	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+IsoProp+Na+H"	84.054008
"999115"	108.561876	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+2ACN+2H"	84.067652
"1595805"	218.024728	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+K+HCOOH"	84.968628
"1426930"	248.056238	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+H+CF3COOH"	115.000138
"1152845"	129.075151	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+3ACN+2H"	125.094202
"1699119"	265.082785	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+NH4+CF3COOH"	132.026685
"1634889"	270.03818	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+Na+CF3COOH"	136.98208
"1580267"	286.01212	"C17241"	"4-Methylthiobutanaldoxime"	"C5H11NOS"	"133.0561"	"M+K+CF3COOH"	152.95602
"812818"	252.0602	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M"	0
"977603"	233.04181	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-H2O-H"	-19.01839
"71318"	167.032857333333	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M-3H"	-3.021828
"507597"	251.052924	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M-3H"	-3.021828
"887586"	83.0127906666667	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-3H"	-3.021828
"10535"	251.052924	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M-2H"	-2.014552
"453745"	377.083024	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M-2H"	-2.014552
"831180"	125.022824	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-2H"	-2.014552
"85706"	503.113124	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M-H"	-1.007276
"519799"	755.173324	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M-H"	-1.007276
"898695"	251.052924	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-H"	-1.007276
"50150"	520.139671	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M-2H+NH4"	16.019271
"489710"	772.199871	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M-2H+NH4"	16.019271
"867510"	268.079471	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-2H+NH4"	16.019271
"35056"	525.095066	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M-2H+Na"	20.974666
"475708"	777.155266	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M-2H+Na"	20.974666
"852417"	273.034866	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-2H+Na"	20.974666
"1624138"	273.034866	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Na-2H"	20.974666
"103949"	269.041263	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M-H+Cl"	33.962126
"545697"	395.071363	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M-H+Cl"	33.962126
"937025"	143.011163	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-H+Cl"	33.962126
"274492"	539.089802	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+Cl"	34.969402
"665820"	791.150002	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+Cl"	34.969402
"1282597"	287.029602	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Cl"	34.969402
"26247"	541.069006	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M-2H+K"	36.948606
"467997"	793.129206	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M-2H+K"	36.948606
"846890"	289.008806	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-2H+K"	36.948606
"1569285"	289.008806	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+K-2H"	36.948606
"954982"	297.058394	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-H+HCOOH"	44.998194
"373926"	549.118601	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+HCOOH-H"	44.998201
"359268"	563.134251	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+Hac-H"	59.013851
"1503726"	311.074051	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Hac-H"	59.013851
"969083"	319.040351	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-H+NaCOOH"	66.980151
"122365"	287.029602	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+2Cl"	69.938804
"558647"	413.059702	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+2Cl"	69.938804
"1031817"	160.999502	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2Cl"	69.938804
"1253581"	330.979085	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Br"	78.918885
"1308379"	333.035072	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Cl+HCOOH"	80.974872
"1324782"	355.017029	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Cl+NaCOOH"	102.956829
"921308"	365.045786	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M-H+CF3COOH"	112.985586
"1300206"	401.022464	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Cl+CF3COOH"	148.962264
"1369989"	217.047524	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H-2H2O"	-35.012676
"1390401"	235.0575	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H-H2O"	-17.0027
"290087"	505.127676	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+H"	1.007276
"685789"	757.187876	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+H"	1.007276
"1359952"	253.067476	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H"	1.007276
"135028"	253.067476	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+2H"	2.014552
"578603"	379.097576	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+2H"	2.014552
"1048861"	127.037376	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2H"	2.014552
"213483"	169.047409333333	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+3H"	3.021828
"654135"	253.067476	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+3H"	3.021828
"1166792"	85.0273426666667	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+3H"	3.021828
"430065"	522.154223	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+NH4"	18.033823
"789238"	774.214423	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+NH4"	18.033823
"1685568"	270.094023	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+NH4"	18.033823
"332755"	261.5807495	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+H+NH4"	19.041099
"728458"	387.6108495	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+H+NH4"	19.041099
"1487381"	135.5506495	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H+NH4"	19.041099
"402778"	527.109618	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+Na"	22.989218
"760492"	779.169818	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+Na"	22.989218
"1609683"	275.049418	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Na"	22.989218
"323003"	264.058447	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+H+Na"	23.996494
"716518"	390.088547	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+H+Na"	23.996494
"1470702"	138.028347	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H+Na"	23.996494
"1060303"	92.3546566666667	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2H+Na"	25.00377
"1263077"	285.093686	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+CH3OH+H"	33.033486
"382746"	543.083558	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+K"	38.963158
"745931"	795.143758	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+K"	38.963158
"1550171"	291.023358	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+K"	38.963158
"309534"	272.045417	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+H+K"	39.970434
"698677"	398.075517	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+H+K"	39.970434
"1456873"	146.015317	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H+K"	39.970434
"246569"	546.154226	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+ACN+H"	42.033826
"1218182"	294.094026	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+ACN+H"	42.033826
"1206074"	147.550651	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+ACN+2H"	43.041102
"201132"	549.09156	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+2Na-H"	44.97116
"640694"	801.15176	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+2Na-H"	44.97116
"1144199"	297.03136	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2Na-H"	44.97116
"184578"	275.049418	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+2Na"	45.978436
"625956"	401.079518	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+2Na"	45.978436
"1125817"	149.019318	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2Na"	45.978436
"1410069"	99.6819706666667	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H+2Na"	46.985712
"1436717"	299.072946	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H+HCOOH"	47.012746
"229329"	280.08244	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+3H2O+2H"	56.04448
"1510467"	313.12499	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+IsoProp+H"	61.06479
"415258"	283.036388	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+Na+K"	61.952376
"777347"	409.066488	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+Na+K"	61.952376
"1675872"	157.006288	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Na+K"	61.952376
"261298"	568.136168	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+ACN+Na"	64.015768
"1238017"	316.075968	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+ACN+Na"	64.015768
"1726174"	316.099493	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+NH4+HCOOH"	64.039293
"1190435"	107.009284666667	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+3Na"	68.967654
"1663608"	321.054888	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Na+HCOOH"	68.994688
"171196"	581.03944	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+2K-H"	76.91904
"607844"	833.09964	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+2K-H"	76.91904
"1097823"	328.97924	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2K-H"	76.91904
"153547"	291.023358	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"2M+2K"	77.926316
"595295"	417.053458	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"3M+2K"	77.926316
"1079807"	164.993258	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2K"	77.926316
"1111924"	330.993792	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2K+H"	78.933592
"1348310"	331.081407	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+DMSO+H"	79.021207
"1015746"	335.120576	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2ACN+H"	83.060376
"1533871"	336.114208	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+IsoProp+Na+H"	84.054008
"1001412"	168.063926	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+2ACN+2H"	84.067652
"1599195"	337.028828	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+K+HCOOH"	84.968628
"1423760"	367.060338	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+H+CF3COOH"	115.000138
"1150040"	188.577201	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+3ACN+2H"	125.094202
"1699229"	384.086885	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+NH4+CF3COOH"	132.026685
"1635974"	389.04228	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+Na+CF3COOH"	136.98208
"1580377"	405.01622	"C17242"	"S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine"	"C8H16N2O3S2"	"252.0602"	"M+K+CF3COOH"	152.95602
"809648"	165.0282	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M"	0
"977713"	146.00981	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-H2O-H"	-19.01839
"74710"	109.011524	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M-3H"	-3.021828
"505518"	164.020924	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M-3H"	-3.021828
"886600"	54.002124	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-3H"	-3.021828
"2988"	164.020924	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M-2H"	-2.014552
"451300"	246.535024	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M-2H"	-2.014552
"828010"	81.506824	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-2H"	-2.014552
"82537"	329.049124	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M-H"	-1.007276
"519536"	494.077324	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M-H"	-1.007276
"898068"	164.020924	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-H"	-1.007276
"49162"	346.075671	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M-2H+NH4"	16.019271
"488724"	511.103871	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M-2H+NH4"	16.019271
"865433"	181.047471	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-2H+NH4"	16.019271
"32724"	351.031066	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M-2H+Na"	20.974666
"471556"	516.059266	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M-2H+Na"	20.974666
"848710"	186.002866	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-2H+Na"	20.974666
"1618776"	186.002866	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Na-2H"	20.974666
"104059"	182.009263	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M-H+Cl"	33.962126
"544712"	264.523363	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M-H+Cl"	33.962126
"937133"	99.495163	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-H+Cl"	33.962126
"269130"	365.025802	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+Cl"	34.969402
"667023"	530.054002	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+Cl"	34.969402
"1277238"	199.997602	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Cl"	34.969402
"21982"	367.005006	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M-2H+K"	36.948606
"463731"	532.033206	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M-2H+K"	36.948606
"839343"	201.976806	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-2H+K"	36.948606
"1558456"	201.976806	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+K-2H"	36.948606
"949619"	210.026394	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-H+HCOOH"	44.998194
"363460"	375.054601	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+HCOOH-H"	44.998201
"348439"	389.070251	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+Hac-H"	59.013851
"1502741"	224.042051	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Hac-H"	59.013851
"968096"	232.008351	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-H+NaCOOH"	66.980151
"122108"	199.997602	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+2Cl"	69.938804
"562030"	282.511702	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+2Cl"	69.938804
"1031925"	117.483502	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2Cl"	69.938804
"1252597"	243.947085	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Br"	78.918885
"1311768"	246.003072	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Cl+HCOOH"	80.974872
"1325619"	267.985029	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Cl+NaCOOH"	102.956829
"921414"	278.013786	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M-H+CF3COOH"	112.985586
"1300316"	313.990464	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Cl+CF3COOH"	148.962264
"1375202"	130.015524	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H-2H2O"	-35.012676
"1391606"	148.0255	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H-H2O"	-17.0027
"290197"	331.063676	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+H"	1.007276
"685899"	496.091876	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+H"	1.007276
"1361156"	166.035476	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H"	1.007276
"138418"	166.035476	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+2H"	2.014552
"580415"	248.549576	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+2H"	2.014552
"1051647"	83.521376	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2H"	2.014552
"217846"	111.026076	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+3H"	3.021828
"655341"	166.035476	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+3H"	3.021828
"1170183"	56.016676	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+3H"	3.021828
"428353"	348.090223	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+NH4"	18.033823
"791535"	513.118423	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+NH4"	18.033823
"1686044"	183.062023	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+NH4"	18.033823
"331771"	174.5487495	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+H+NH4"	19.041099
"731485"	257.0628495	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+H+NH4"	19.041099
"1485669"	92.0346495	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H+NH4"	19.041099
"402888"	353.045618	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+Na"	22.989218
"760602"	518.073818	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+Na"	22.989218
"1609793"	188.017418	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Na"	22.989218
"319833"	177.026447	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+H+Na"	23.996494
"711160"	259.540547	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+H+Na"	23.996494
"1465343"	94.512347	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H+Na"	23.996494
"1053851"	63.34399	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2H+Na"	25.00377
"1258445"	198.061686	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+CH3OH+H"	33.033486
"382858"	369.019558	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+K"	38.963158
"742031"	534.047758	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+K"	38.963158
"1545907"	203.991358	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+K"	38.963158
"305270"	185.013417	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+H+K"	39.970434
"695506"	267.527517	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+H+K"	39.970434
"1453701"	102.499317	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H+K"	39.970434
"243398"	372.090226	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+ACN+H"	42.033826
"1216105"	207.062026	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+ACN+H"	42.033826
"1201081"	104.034651	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+ACN+2H"	43.041102
"197233"	375.02756	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+2Na-H"	44.97116
"635700"	540.05576	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+2Na-H"	44.97116
"1141393"	209.99936	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2Na-H"	44.97116
"182498"	188.017418	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+2Na"	45.978436
"623515"	270.531518	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+2Na"	45.978436
"1124468"	105.503318	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2Na"	45.978436
"1409815"	70.671304	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H+2Na"	46.985712
"1436827"	212.040946	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H+HCOOH"	47.012746
"220445"	193.05044	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+3H2O+2H"	56.04448
"1508625"	226.09299	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+IsoProp+H"	61.06479
"413181"	196.004388	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+Na+K"	61.952376
"777457"	278.518488	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+Na+K"	61.952376
"1679506"	113.490288	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Na+K"	61.952376
"260315"	394.072168	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+ACN+Na"	64.015768
"1234118"	229.043968	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+ACN+Na"	64.015768
"1724461"	229.067493	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+NH4+HCOOH"	64.039293
"1187266"	77.998618	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+3Na"	68.967654
"1657158"	234.022888	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Na+HCOOH"	68.994688
"165110"	406.97544	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+2K-H"	76.91904
"610141"	572.00364	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+2K-H"	76.91904
"1094653"	241.94724	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2K-H"	76.91904
"154752"	203.991358	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"2M+2K"	77.926316
"593219"	286.505458	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"3M+2K"	77.926316
"1081011"	121.477258	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2K"	77.926316
"1110941"	243.961792	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2K+H"	78.933592
"1346232"	244.049407	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+DMSO+H"	79.021207
"1015856"	248.088576	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2ACN+H"	83.060376
"1535074"	249.082208	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+IsoProp+Na+H"	84.054008
"1001522"	124.547926	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+2ACN+2H"	84.067652
"1599305"	249.996828	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+K+HCOOH"	84.968628
"1423870"	280.028338	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+H+CF3COOH"	115.000138
"1149785"	145.061201	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+3ACN+2H"	125.094202
"1698246"	297.054885	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+NH4+CF3COOH"	132.026685
"1634186"	302.01028	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+Na+CF3COOH"	136.98208
"1580487"	317.98422	"C17243"	"4-Methylthiobutylthiohydroximate"	"C5H11NOS2"	"165.0282"	"M+K+CF3COOH"	152.95602
"810851"	327.081	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M"	0
"978187"	308.06261	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-H2O-H"	-19.01839
"75912"	217.046724	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M-3H"	-3.021828
"505630"	326.073724	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M-3H"	-3.021828
"884525"	108.019724	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-3H"	-3.021828
"4193"	326.073724	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M-2H"	-2.014552
"454325"	489.614224	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M-2H"	-2.014552
"829941"	162.533224	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-2H"	-2.014552
"82643"	653.154724	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M-H"	-1.007276
"520013"	980.235724	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M-H"	-1.007276
"898907"	326.073724	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-H"	-1.007276
"52188"	670.181271	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M-2H+NH4"	16.019271
"488591"	997.262271	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M-2H+NH4"	16.019271
"866754"	343.100271	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-2H+NH4"	16.019271
"33077"	675.136666	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M-2H+Na"	20.974666
"471913"	1002.217666	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M-2H+Na"	20.974666
"849063"	348.055666	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-2H+Na"	20.974666
"1619615"	348.055666	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Na-2H"	20.974666
"106356"	344.062063	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M-H+Cl"	33.962126
"545915"	507.602563	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M-H+Cl"	33.962126
"937243"	180.521563	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-H+Cl"	33.962126
"271427"	689.131402	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+Cl"	34.969402
"666041"	1016.212402	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+Cl"	34.969402
"1279535"	362.050402	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Cl"	34.969402
"25371"	691.110606	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M-2H+K"	36.948606
"460561"	1018.191606	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M-2H+K"	36.948606
"837266"	364.029606	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-2H+K"	36.948606
"1557471"	364.029606	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+K-2H"	36.948606
"947542"	372.079194	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-H+HCOOH"	44.998194
"363570"	699.160201	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+HCOOH-H"	44.998201
"348547"	713.175851	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+Hac-H"	59.013851
"1499935"	386.094851	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Hac-H"	59.013851
"966019"	394.061151	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-H+NaCOOH"	66.980151
"120395"	362.050402	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+2Cl"	69.938804
"562140"	525.590902	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+2Cl"	69.938804
"1032035"	198.509902	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2Cl"	69.938804
"1252707"	405.999885	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Br"	78.918885
"1311878"	408.055872	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Cl+HCOOH"	80.974872
"1329374"	430.037829	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Cl+NaCOOH"	102.956829
"921524"	440.066586	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M-H+CF3COOH"	112.985586
"1297146"	476.043264	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Cl+CF3COOH"	148.962264
"1380782"	292.068324	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H-2H2O"	-35.012676
"1393904"	310.0783	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H-H2O"	-17.0027
"295411"	655.169276	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+H"	1.007276
"688197"	982.250276	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+H"	1.007276
"1366006"	328.088276	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H"	1.007276
"140353"	328.088276	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+2H"	2.014552
"580161"	491.628776	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+2H"	2.014552
"1050175"	164.547776	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2H"	2.014552
"213703"	219.061276	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+3H"	3.021828
"654356"	328.088276	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+3H"	3.021828
"1170293"	110.034276	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+3H"	3.021828
"429191"	672.195823	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+NH4"	18.033823
"792375"	999.276823	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+NH4"	18.033823
"1687615"	345.114823	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+NH4"	18.033823
"335893"	336.6015495	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+H+NH4"	19.041099
"729772"	500.1420495	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+H+NH4"	19.041099
"1484685"	173.0610495	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H+NH4"	19.041099
"399718"	677.151218	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+Na"	22.989218
"762900"	1004.232218	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+Na"	22.989218
"1613185"	350.070218	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Na"	22.989218
"321036"	339.079247	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+H+Na"	23.996494
"712363"	502.619747	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+H+Na"	23.996494
"1465087"	175.538747	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H+Na"	23.996494
"1063441"	117.36159	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2H+Na"	25.00377
"1261473"	360.114486	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+CH3OH+H"	33.033486
"382969"	693.125158	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+K"	38.963158
"743965"	1020.206158	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+K"	38.963158
"1550392"	366.044158	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+K"	38.963158
"306475"	347.066217	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+H+K"	39.970434
"695616"	510.606717	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+H+K"	39.970434
"1454906"	183.525717	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H+K"	39.970434
"244600"	696.195826	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+ACN+H"	42.033826
"1217309"	369.114826	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+ACN+H"	42.033826
"1204472"	185.061051	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+ACN+2H"	43.041102
"197342"	699.13316	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+2Na-H"	44.97116
"637998"	1026.21416	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+2Na-H"	44.97116
"1141506"	372.05216	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2Na-H"	44.97116
"185890"	350.070218	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+2Na"	45.978436
"623260"	513.610718	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+2Na"	45.978436
"1123484"	186.529718	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2Na"	45.978436
"1408102"	124.688904	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H+2Na"	46.985712
"1438031"	374.093746	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H+HCOOH"	47.012746
"221529"	355.10324	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+3H2O+2H"	56.04448
"1508518"	388.14579	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+IsoProp+H"	61.06479
"413291"	358.057188	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+Na+K"	61.952376
"774288"	521.597688	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+Na+K"	61.952376
"1679983"	194.516688	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Na+K"	61.952376
"262612"	718.177768	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+ACN+Na"	64.015768
"1239695"	391.096768	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+ACN+Na"	64.015768
"1726758"	391.120293	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+NH4+HCOOH"	64.039293
"1192842"	132.016218	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+3Na"	68.967654
"1661641"	396.075688	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Na+HCOOH"	68.994688
"166316"	731.08104	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+2K-H"	76.91904
"609157"	1058.16204	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+2K-H"	76.91904
"1095857"	404.00004	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2K-H"	76.91904
"155230"	366.044158	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"2M+2K"	77.926316
"595516"	529.584658	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"3M+2K"	77.926316
"1078934"	202.503658	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2K"	77.926316
"1112144"	406.014592	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2K+H"	78.933592
"1343061"	406.102207	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+DMSO+H"	79.021207
"1017059"	410.141376	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2ACN+H"	83.060376
"1532997"	411.135008	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+IsoProp+Na+H"	84.054008
"1004912"	205.574326	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+2ACN+2H"	84.067652
"1600874"	412.049628	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+K+HCOOH"	84.968628
"1428356"	442.081138	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+H+CF3COOH"	115.000138
"1147709"	226.087601	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+3ACN+2H"	125.094202
"1698352"	459.107685	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+NH4+CF3COOH"	132.026685
"1634164"	464.06308	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+Na+CF3COOH"	136.98208
"1580597"	480.03702	"C17244"	"3-Methylthiopropyl-desulfoglucosinolate"	"C11H21NO6S2"	"327.081"	"M+K+CF3COOH"	152.95602
"810963"	147.0718	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M"	0
"981219"	128.05341	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-H2O-H"	-19.01839
"68369"	97.0405906666667	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M-3H"	-3.021828
"504280"	146.064524	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M-3H"	-3.021828
"881354"	48.0166573333333	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-3H"	-3.021828
"7586"	146.064524	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M-2H"	-2.014552
"449335"	219.600424	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M-2H"	-2.014552
"824949"	72.528624	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-2H"	-2.014552
"90407"	293.136324	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M-H"	-1.007276
"519883"	440.208124	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M-H"	-1.007276
"900111"	146.064524	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-H"	-1.007276
"51205"	310.162871	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M-2H+NH4"	16.019271
"492953"	457.234671	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M-2H+NH4"	16.019271
"866139"	163.091071	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-2H+NH4"	16.019271
"34159"	315.118266	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M-2H+Na"	20.974666
"472386"	462.190066	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M-2H+Na"	20.974666
"849584"	168.046466	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-2H+Na"	20.974666
"1620094"	168.046466	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Na-2H"	20.974666
"99907"	164.052863	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M-H+Cl"	33.962126
"543839"	237.588763	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M-H+Cl"	33.962126
"939180"	90.516963	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-H+Cl"	33.962126
"278100"	329.113002	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+Cl"	34.969402
"668337"	476.184802	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+Cl"	34.969402
"1280738"	182.041202	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Cl"	34.969402
"25117"	331.092206	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M-2H+K"	36.948606
"465775"	478.164006	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M-2H+K"	36.948606
"840657"	184.020406	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-2H+K"	36.948606
"1560864"	184.020406	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+K-2H"	36.948606
"946559"	192.069994	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-H+HCOOH"	44.998194
"368058"	339.141801	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+HCOOH-H"	44.998201
"350483"	353.157451	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+Hac-H"	59.013851
"1500774"	206.085651	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Hac-H"	59.013851
"966132"	214.051951	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-H+NaCOOH"	66.980151
"119413"	182.041202	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+2Cl"	69.938804
"561157"	255.577102	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+2Cl"	69.938804
"1029962"	108.505302	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2Cl"	69.938804
"1250633"	225.990685	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Br"	78.918885
"1315997"	228.046672	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Cl+HCOOH"	80.974872
"1326203"	250.028629	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Cl+NaCOOH"	102.956829
"921633"	260.057386	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M-H+CF3COOH"	112.985586
"1291420"	296.034064	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Cl+CF3COOH"	148.962264
"1381620"	112.059124	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H-2H2O"	-35.012676
"1394014"	130.0691	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H-H2O"	-17.0027
"295885"	295.150876	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+H"	1.007276
"690497"	442.222676	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+H"	1.007276
"1366480"	148.079076	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H"	1.007276
"140836"	148.079076	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+2H"	2.014552
"578202"	221.614976	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+2H"	2.014552
"1051013"	74.543176	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2H"	2.014552
"214906"	99.0551426666667	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+3H"	3.021828
"652278"	148.079076	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+3H"	3.021828
"1169313"	50.0312093333333	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+3H"	3.021828
"431489"	312.177423	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+NH4"	18.033823
"791391"	459.249223	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+NH4"	18.033823
"1685536"	165.105623	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+NH4"	18.033823
"336003"	156.5923495	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+H+NH4"	19.041099
"729518"	230.1282495	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+H+NH4"	19.041099
"1485523"	83.0564495	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H+NH4"	19.041099
"402017"	317.132818	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+Na"	22.989218
"763010"	464.204618	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+Na"	22.989218
"1611110"	170.061018	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Na"	22.989218
"323333"	159.070047	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+H+Na"	23.996494
"716849"	232.605947	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+H+Na"	23.996494
"1468482"	85.534147	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H+Na"	23.996494
"1061729"	57.3585233333333	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2H+Na"	25.00377
"1261219"	180.105286	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+CH3OH+H"	33.033486
"378702"	333.106758	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+K"	38.963158
"744075"	480.178558	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+K"	38.963158
"1548317"	186.034958	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+K"	38.963158
"304398"	167.057017	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+H+K"	39.970434
"699004"	240.592917	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+H+K"	39.970434
"1451733"	93.521117	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H+K"	39.970434
"244708"	336.177426	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+ACN+H"	42.033826
"1217417"	189.105626	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+ACN+H"	42.033826
"1199117"	95.056451	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+ACN+2H"	43.041102
"196362"	339.11476	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+2Na-H"	44.97116
"631548"	486.18656	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+2Na-H"	44.97116
"1136148"	192.04296	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2Na-H"	44.97116
"179438"	170.061018	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+2Na"	45.978436
"620090"	243.596918	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+2Na"	45.978436
"1120314"	96.525118	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2Na"	45.978436
"1399582"	64.6858373333333	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H+2Na"	46.985712
"1431698"	194.084546	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H+HCOOH"	47.012746
"222365"	175.09404	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+3H2O+2H"	56.04448
"1509455"	208.13659	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+IsoProp+H"	61.06479
"409263"	178.047988	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+Na+K"	61.952376
"782420"	251.583888	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+Na+K"	61.952376
"1680576"	104.512088	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Na+K"	61.952376
"259440"	358.159368	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+ACN+Na"	64.015768
"1231056"	211.087568	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+ACN+Na"	64.015768
"1726502"	211.111093	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+NH4+HCOOH"	64.039293
"1189306"	72.0131513333333	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+3Na"	68.967654
"1659561"	216.066488	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Na+HCOOH"	68.994688
"162048"	371.06264	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+2K-H"	76.91904
"601611"	518.13444	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+2K-H"	76.91904
"1089403"	223.99084	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2K-H"	76.91904
"145127"	186.034958	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"2M+2K"	77.926316
"592343"	259.570858	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"3M+2K"	77.926316
"1070659"	112.499058	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2K"	77.926316
"1105692"	226.005392	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2K+H"	78.933592
"1345358"	226.093007	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+DMSO+H"	79.021207
"1009514"	230.132176	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2ACN+H"	83.060376
"1528732"	231.125808	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+IsoProp+Na+H"	84.054008
"998461"	115.569726	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+2ACN+2H"	84.067652
"1596245"	232.040428	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+K+HCOOH"	84.968628
"1422999"	262.071938	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+H+CF3COOH"	115.000138
"1148183"	136.083001	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+3ACN+2H"	125.094202
"1699557"	279.098485	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+NH4+CF3COOH"	132.026685
"1646151"	284.05388	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+Na+CF3COOH"	136.98208
"1580707"	300.02782	"C17245"	"5-Methylthiopentanaldoxime"	"C6H13NOS"	"147.0718"	"M+K+CF3COOH"	152.95602
"807790"	161.0874	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M"	0
"978050"	142.06901	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-H2O-H"	-19.01839
"65198"	106.384324	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M-3H"	-3.021828
"505847"	160.080124	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M-3H"	-3.021828
"883650"	52.688524	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-3H"	-3.021828
"5509"	160.080124	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M-2H"	-2.014552
"450539"	240.623824	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M-2H"	-2.014552
"826153"	79.536424	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-2H"	-2.014552
"86145"	321.167524	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M-H"	-1.007276
"523516"	482.254924	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M-H"	-1.007276
"899129"	160.080124	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-H"	-1.007276
"53503"	338.194071	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M-2H+NH4"	16.019271
"493064"	499.281471	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M-2H+NH4"	16.019271
"867589"	177.106671	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-2H+NH4"	16.019271
"35122"	343.149466	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M-2H+Na"	20.974666
"472987"	504.236866	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M-2H+Na"	20.974666
"851883"	182.062066	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-2H+Na"	20.974666
"1620445"	182.062066	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Na-2H"	20.974666
"98924"	178.068463	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M-H+Cl"	33.962126
"543949"	258.612163	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M-H+Cl"	33.962126
"939290"	97.524763	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-H+Cl"	33.962126
"278210"	357.144202	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+Cl"	34.969402
"667354"	518.231602	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+Cl"	34.969402
"1280851"	196.056802	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Cl"	34.969402
"24498"	359.123406	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M-2H+K"	36.948606
"464063"	520.210806	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M-2H+K"	36.948606
"844047"	198.036006	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-2H+K"	36.948606
"1559151"	198.036006	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+K-2H"	36.948606
"948857"	206.085594	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-H+HCOOH"	44.998194
"368168"	367.173001	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+HCOOH-H"	44.998201
"350593"	381.188651	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+Hac-H"	59.013851
"1504164"	220.101251	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Hac-H"	59.013851
"967334"	228.067551	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-H+NaCOOH"	66.980151
"120252"	196.056802	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+2Cl"	69.938804
"559085"	276.600502	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+2Cl"	69.938804
"1031894"	115.513102	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2Cl"	69.938804
"1250743"	240.006285	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Br"	78.918885
"1315376"	242.062272	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Cl+HCOOH"	80.974872
"1329593"	264.044229	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Cl+NaCOOH"	102.956829
"921743"	274.072986	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M-H+CF3COOH"	112.985586
"1289342"	310.049664	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Cl+CF3COOH"	148.962264
"1380637"	126.074724	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H-2H2O"	-35.012676
"1395217"	144.0847	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H-H2O"	-17.0027
"297819"	323.182076	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+H"	1.007276
"690242"	484.269476	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+H"	1.007276
"1364768"	162.094676	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H"	1.007276
"141025"	162.094676	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+2H"	2.014552
"578314"	242.638376	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+2H"	2.014552
"1050394"	81.550976	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2H"	2.014552
"215017"	108.398876	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+3H"	3.021828
"651295"	162.094676	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+3H"	3.021828
"1167601"	54.703076	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+3H"	3.021828
"427227"	340.208623	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+NH4"	18.033823
"789316"	501.296023	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+NH4"	18.033823
"1684187"	179.121223	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+NH4"	18.033823
"335020"	170.6079495	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+H+NH4"	19.041099
"728535"	251.1516495	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+H+NH4"	19.041099
"1483447"	90.0642495	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H+NH4"	19.041099
"401034"	345.164018	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+Na"	22.989218
"760934"	506.251418	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+Na"	22.989218
"1610127"	184.076618	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Na"	22.989218
"323443"	173.085647	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+H+Na"	23.996494
"714773"	253.629347	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+H+Na"	23.996494
"1467499"	92.541947	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H+Na"	23.996494
"1058559"	62.03039	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2H+Na"	25.00377
"1259143"	194.120886	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+CH3OH+H"	33.033486
"379906"	361.137958	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+K"	38.963158
"743091"	522.225358	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+K"	38.963158
"1545146"	200.050558	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+K"	38.963158
"305601"	181.072617	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+H+K"	39.970434
"699114"	261.616317	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+H+K"	39.970434
"1454030"	100.528917	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H+K"	39.970434
"242631"	364.208626	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+ACN+H"	42.033826
"1215342"	203.121226	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+ACN+H"	42.033826
"1199227"	102.064251	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+ACN+2H"	43.041102
"196472"	367.14596	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+2Na-H"	44.97116
"633845"	528.23336	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+2Na-H"	44.97116
"1137351"	206.05856	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2Na-H"	44.97116
"183922"	184.076618	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+2Na"	45.978436
"618011"	264.620318	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+2Na"	45.978436
"1125889"	103.532918	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2Na"	45.978436
"1400666"	69.357704	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H+2Na"	46.985712
"1436062"	208.100146	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H+HCOOH"	47.012746
"224662"	189.10964	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+3H2O+2H"	56.04448
"1511632"	222.15219	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+IsoProp+H"	61.06479
"411320"	192.063588	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+Na+K"	61.952376
"782530"	272.607288	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+Na+K"	61.952376
"1678863"	111.519888	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Na+K"	61.952376
"254083"	386.190568	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+ACN+Na"	64.015768
"1231166"	225.103168	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+ACN+Na"	64.015768
"1725153"	225.126693	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+NH4+HCOOH"	64.039293
"1188687"	76.685018	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+3Na"	68.967654
"1663924"	230.082088	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Na+HCOOH"	68.994688
"163252"	399.09384	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+2K-H"	76.91904
"602813"	560.18124	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+2K-H"	76.91904
"1088421"	238.00644	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2K-H"	76.91904
"147424"	200.050558	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"2M+2K"	77.926316
"592453"	280.594258	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"3M+2K"	77.926316
"1074049"	119.506858	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2K"	77.926316
"1103613"	240.020992	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2K+H"	78.933592
"1345468"	240.108607	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+DMSO+H"	79.021207
"1016185"	244.147776	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2ACN+H"	83.060376
"1532123"	245.141408	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+IsoProp+Na+H"	84.054008
"998571"	122.577526	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+2ACN+2H"	84.067652
"1596355"	246.056028	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+K+HCOOH"	84.968628
"1420923"	276.087538	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+H+CF3COOH"	115.000138
"1150116"	143.090801	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+3ACN+2H"	125.094202
"1698573"	293.114085	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+NH4+CF3COOH"	132.026685
"1645168"	298.06948	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+Na+CF3COOH"	136.98208
"1580817"	314.04342	"C17246"	"6-Methylthiohexanaldoxime"	"C7H15NOS"	"161.0874"	"M+K+CF3COOH"	152.95602
"814461"	341.0967	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M"	0
"983627"	322.07831	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-H2O-H"	-19.01839
"75150"	226.390524	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M-3H"	-3.021828
"510335"	340.089424	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M-3H"	-3.021828
"889231"	112.691624	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-3H"	-3.021828
"14367"	340.089424	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M-2H"	-2.014552
"450649"	510.637774	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M-2H"	-2.014552
"828450"	169.541074	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-2H"	-2.014552
"90630"	681.186124	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M-H"	-1.007276
"527999"	1022.282824	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M-H"	-1.007276
"902520"	340.089424	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-H"	-1.007276
"52523"	698.212671	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M-2H+NH4"	16.019271
"493178"	1039.309371	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M-2H+NH4"	16.019271
"868792"	357.115971	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-2H+NH4"	16.019271
"34507"	703.168066	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M-2H+Na"	20.974666
"472367"	1044.264766	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M-2H+Na"	20.974666
"849928"	362.071366	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-2H+Na"	20.974666
"1626875"	362.071366	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Na-2H"	20.974666
"108514"	358.077763	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M-H+Cl"	33.962126
"546613"	528.626113	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M-H+Cl"	33.962126
"940859"	187.529413	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-H+Cl"	33.962126
"277593"	717.162802	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+Cl"	34.969402
"671109"	1058.259502	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+Cl"	34.969402
"1283878"	376.066102	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Cl"	34.969402
"26795"	719.142006	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M-2H+K"	36.948606
"468544"	1060.238706	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M-2H+K"	36.948606
"845618"	378.045306	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-2H+K"	36.948606
"1562177"	378.045306	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+K-2H"	36.948606
"955164"	386.094894	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-H+HCOOH"	44.998194
"371558"	727.191601	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+HCOOH-H"	44.998201
"353618"	741.207251	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+Hac-H"	59.013851
"1500993"	400.110551	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Hac-H"	59.013851
"963794"	408.076851	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-H+NaCOOH"	66.980151
"121821"	376.066102	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+2Cl"	69.938804
"562107"	546.614452	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+2Cl"	69.938804
"1033099"	205.517752	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2Cl"	69.938804
"1251949"	420.015585	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Br"	78.918885
"1318039"	422.071572	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Cl+HCOOH"	80.974872
"1330800"	444.053529	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Cl+NaCOOH"	102.956829
"924405"	454.082286	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M-H+CF3COOH"	112.985586
"1293827"	490.058964	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Cl+CF3COOH"	148.962264
"1381599"	306.084024	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H-2H2O"	-35.012676
"1395325"	324.094	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H-H2O"	-17.0027
"296110"	683.200676	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+H"	1.007276
"685251"	1024.297376	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+H"	1.007276
"1365609"	342.103976	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H"	1.007276
"137768"	342.103976	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+2H"	2.014552
"577332"	512.652326	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+2H"	2.014552
"1047225"	171.555626	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2H"	2.014552
"214033"	228.405076	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+3H"	3.021828
"649220"	342.103976	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+3H"	3.021828
"1169534"	114.706176	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+3H"	3.021828
"427702"	700.227223	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+NH4"	18.033823
"789062"	1041.323923	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+NH4"	18.033823
"1685391"	359.130523	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+NH4"	18.033823
"331483"	350.6172495	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+H+NH4"	19.041099
"731926"	521.1655995	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+H+NH4"	19.041099
"1484652"	180.0688995	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H+NH4"	19.041099
"400052"	705.182618	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+Na"	22.989218
"764327"	1046.279318	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+Na"	22.989218
"1610238"	364.085918	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Na"	22.989218
"322460"	353.094947	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+H+Na"	23.996494
"717068"	523.643297	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+H+Na"	23.996494
"1470889"	182.546597	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H+Na"	23.996494
"1057574"	122.03349	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2H+Na"	25.00377
"1260346"	374.130186	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+CH3OH+H"	33.033486
"380016"	721.156558	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+K"	38.963158
"742107"	1062.253258	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+K"	38.963158
"1546349"	380.059858	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+K"	38.963158
"304618"	361.081917	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+H+K"	39.970434
"694853"	531.630267	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+H+K"	39.970434
"1451954"	190.533567	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H+K"	39.970434
"242742"	724.227226	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+ACN+H"	42.033826
"1220557"	383.130526	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+ACN+H"	42.033826
"1203708"	192.068901	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+ACN+2H"	43.041102
"198766"	727.16456	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+2Na-H"	44.97116
"640152"	1068.26126	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+2Na-H"	44.97116
"1145480"	386.06786	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2Na-H"	44.97116
"187316"	364.085918	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+2Na"	45.978436
"623592"	534.634268	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+2Na"	45.978436
"1124908"	193.537568	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2Na"	45.978436
"1407336"	129.360804	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H+2Na"	46.985712
"1432895"	388.109446	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H+HCOOH"	47.012746
"228057"	369.11894	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+3H2O+2H"	56.04448
"1517211"	402.16149	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+IsoProp+H"	61.06479
"411435"	372.072888	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+Na+K"	61.952376
"784954"	542.621238	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+Na+K"	61.952376
"1680070"	201.524538	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Na+K"	61.952376
"261848"	746.209168	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+ACN+Na"	64.015768
"1230184"	405.112468	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+ACN+Na"	64.015768
"1724172"	405.135993	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+NH4+HCOOH"	64.039293
"1188799"	136.688118	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+3Na"	68.967654
"1659782"	410.091388	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Na+HCOOH"	68.994688
"165550"	759.11244	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+2K-H"	76.91904
"604018"	1100.20914	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+2K-H"	76.91904
"1092905"	418.01574	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2K-H"	76.91904
"149723"	380.059858	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"2M+2K"	77.926316
"592564"	550.608208	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"3M+2K"	77.926316
"1073795"	209.511508	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2K"	77.926316
"1107005"	420.030292	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2K+H"	78.933592
"1346671"	420.117907	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+DMSO+H"	79.021207
"1019581"	424.157076	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2ACN+H"	83.060376
"1535513"	425.150708	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+IsoProp+Na+H"	84.054008
"1001961"	212.582176	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+2ACN+2H"	84.067652
"1602541"	426.065328	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+K+HCOOH"	84.968628
"1427594"	456.096838	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+H+CF3COOH"	115.000138
"1151319"	233.095451	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+3ACN+2H"	125.094202
"1705244"	473.123385	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+NH4+CF3COOH"	132.026685
"1644185"	478.07878	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+Na+CF3COOH"	136.98208
"1580927"	494.05272	"C17248"	"4-Methylthiobutyl-desulfoglucosinolate"	"C12H23NO6S2"	"341.0967"	"M+K+CF3COOH"	152.95602
"804730"	175.1031	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M"	0
"982644"	156.08471	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-H2O-H"	-19.01839
"74166"	115.728124	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M-3H"	-3.021828
"514819"	174.095824	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M-3H"	-3.021828
"889341"	57.360424	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-3H"	-3.021828
"13384"	174.095824	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M-2H"	-2.014552
"453675"	261.647374	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M-2H"	-2.014552
"829655"	86.544274	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-2H"	-2.014552
"90375"	349.198924	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M-H"	-1.007276
"528110"	524.302024	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M-H"	-1.007276
"901540"	174.095824	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-H"	-1.007276
"54822"	366.225471	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M-2H+NH4"	16.019271
"493289"	541.328571	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M-2H+NH4"	16.019271
"871091"	191.122371	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-2H+NH4"	16.019271
"33888"	371.180866	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M-2H+Na"	20.974666
"477461"	546.283966	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M-2H+Na"	20.974666
"851254"	196.077766	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-2H+Na"	20.974666
"1620425"	196.077766	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Na-2H"	20.974666
"108623"	192.084163	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M-H+Cl"	33.962126
"545994"	279.635713	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M-H+Cl"	33.962126
"940969"	104.532613	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-H+Cl"	33.962126
"278432"	385.175602	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+Cl"	34.969402
"671219"	560.278702	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+Cl"	34.969402
"1283987"	210.072502	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Cl"	34.969402
"27271"	387.154806	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M-2H+K"	36.948606
"465374"	562.257906	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M-2H+K"	36.948606
"844269"	212.051706	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-2H+K"	36.948606
"1564474"	212.051706	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+K-2H"	36.948606
"954910"	220.101294	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-H+HCOOH"	44.998194
"370576"	395.204401	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+HCOOH-H"	44.998201
"350812"	409.220051	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+Hac-H"	59.013851
"1498187"	234.116951	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Hac-H"	59.013851
"962082"	242.083251	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-H+NaCOOH"	66.980151
"124482"	210.072502	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+2Cl"	69.938804
"562217"	297.624052	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+2Cl"	69.938804
"1030295"	122.520952	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2Cl"	69.938804
"1252058"	254.021985	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Br"	78.918885
"1318150"	256.077972	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Cl+HCOOH"	80.974872
"1332003"	278.059929	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Cl+NaCOOH"	102.956829
"918683"	288.088686	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M-H+CF3COOH"	112.985586
"1299769"	324.065364	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Cl+CF3COOH"	148.962264
"1379396"	140.090424	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H-2H2O"	-35.012676
"1397258"	158.1004	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H-H2O"	-17.0027
"297557"	351.213476	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+H"	1.007276
"691337"	526.316576	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+H"	1.007276
"1366846"	176.110376	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H"	1.007276
"139701"	176.110376	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+2H"	2.014552
"581314"	263.661926	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+2H"	2.014552
"1052654"	88.558826	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2H"	2.014552
"218153"	117.742676	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+3H"	3.021828
"658079"	176.110376	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+3H"	3.021828
"1175112"	59.374976	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+3H"	3.021828
"431822"	368.240023	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+NH4"	18.033823
"795005"	543.343123	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+NH4"	18.033823
"1689149"	193.136923	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+NH4"	18.033823
"335240"	184.6236495	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+H+NH4"	19.041099
"737504"	272.1751995	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+H+NH4"	19.041099
"1490230"	97.0720995	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H+NH4"	19.041099
"404535"	373.195418	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+Na"	22.989218
"766623"	548.298518	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+Na"	22.989218
"1614721"	198.092318	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Na"	22.989218
"326942"	187.101347	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+H+Na"	23.996494
"719365"	274.652897	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+H+Na"	23.996494
"1475009"	99.549797	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H+Na"	23.996494
"1058777"	66.70229	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2H+Na"	25.00377
"1262643"	208.136586	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+CH3OH+H"	33.033486
"381220"	389.169358	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+K"	38.963158
"744404"	564.272458	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+K"	38.963158
"1546459"	214.066258	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+K"	38.963158
"305822"	195.088317	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+H+K"	39.970434
"697150"	282.639867	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+H+K"	39.970434
"1456438"	107.536767	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H+K"	39.970434
"248319"	392.240026	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+ACN+H"	42.033826
"1225284"	217.136926	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+ACN+H"	42.033826
"1208558"	109.072101	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+ACN+2H"	43.041102
"202523"	395.17736	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+2Na-H"	44.97116
"643301"	570.28046	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+2Na-H"	44.97116
"1145956"	220.07426	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2Na-H"	44.97116
"187064"	198.092318	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+2Na"	45.978436
"627354"	285.643868	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+2Na"	45.978436
"1129394"	110.540768	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2Na"	45.978436
"1412188"	74.029604	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H+2Na"	46.985712
"1439567"	222.115846	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H+HCOOH"	47.012746
"233635"	203.12534	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+3H2O+2H"	56.04448
"1523481"	236.16789	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+IsoProp+H"	61.06479
"415915"	206.079288	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+Na+K"	61.952376
"783114"	293.630838	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+Na+K"	61.952376
"1681183"	118.527738	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Na+K"	61.952376
"259771"	414.221968	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+ACN+Na"	64.015768
"1234668"	239.118868	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+ACN+Na"	64.015768
"1722460"	239.142393	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+NH4+HCOOH"	64.039293
"1190003"	81.356918	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+3Na"	68.967654
"1664997"	244.097788	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Na+HCOOH"	68.994688
"166753"	427.12524	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+2K-H"	76.91904
"606315"	602.22834	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+2K-H"	76.91904
"1093015"	252.02214	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2K-H"	76.91904
"153115"	214.066258	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"2M+2K"	77.926316
"594862"	301.617808	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"3M+2K"	77.926316
"1080465"	126.514708	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2K"	77.926316
"1109302"	254.036692	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2K+H"	78.933592
"1350549"	254.124307	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+DMSO+H"	79.021207
"1019325"	258.163476	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2ACN+H"	83.060376
"1535623"	259.157108	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+IsoProp+Na+H"	84.054008
"1005230"	129.585376	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+2ACN+2H"	84.067652
"1602409"	260.071728	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+K+HCOOH"	84.968628
"1426614"	290.103238	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+H+CF3COOH"	115.000138
"1156897"	150.098651	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+3ACN+2H"	125.094202
"1711914"	307.129785	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+NH4+CF3COOH"	132.026685
"1645387"	312.08518	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+Na+CF3COOH"	136.98208
"1581037"	328.05912	"C17249"	"7-Methylthioheptanaldoxime;7-(Methylsulfanyl)heptanal oxime"	"C8H17NOS"	"175.1031"	"M+K+CF3COOH"	152.95602
"801802"	449.0848	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M"	0
"982755"	430.06641	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-H2O-H"	-19.01839
"69903"	298.382590666667	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M-3H"	-3.021828
"512743"	448.077524	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M-3H"	-3.021828
"886171"	148.687657333333	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-3H"	-3.021828
"9120"	448.077524	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M-2H"	-2.014552
"453056"	672.619924	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M-2H"	-2.014552
"827578"	223.535124	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-2H"	-2.014552
"88299"	897.162324	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M-H"	-1.007276
"523848"	1346.247124	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M-H"	-1.007276
"899462"	448.077524	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-H"	-1.007276
"49465"	914.188871	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M-2H+NH4"	16.019271
"488296"	1363.273671	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M-2H+NH4"	16.019271
"864350"	465.104071	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-2H+NH4"	16.019271
"31681"	919.144266	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M-2H+Na"	20.974666
"475386"	1368.229066	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M-2H+Na"	20.974666
"856467"	470.059466	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-2H+Na"	20.974666
"1628190"	470.059466	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Na-2H"	20.974666
"103626"	466.065863	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M-H+Cl"	33.962126
"547928"	690.608263	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M-H+Cl"	33.962126
"939621"	241.523463	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-H+Cl"	33.962126
"277449"	933.139002	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+Cl"	34.969402
"669871"	1382.223802	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+Cl"	34.969402
"1283366"	484.054202	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Cl"	34.969402
"25923"	935.118206	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M-2H+K"	36.948606
"464391"	1384.203006	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M-2H+K"	36.948606
"843287"	486.033406	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-2H+K"	36.948606
"1564585"	486.033406	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+K-2H"	36.948606
"949188"	494.082994	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-H+HCOOH"	44.998194
"368497"	943.167801	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+HCOOH-H"	44.998201
"350193"	957.183451	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+Hac-H"	59.013851
"1499390"	508.098651	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Hac-H"	59.013851
"967301"	516.064951	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-H+NaCOOH"	66.980151
"118759"	484.054202	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+2Cl"	69.938804
"560505"	708.596602	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+2Cl"	69.938804
"1034045"	259.511802	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2Cl"	69.938804
"1252895"	528.003685	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Br"	78.918885
"1317895"	530.059672	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Cl+HCOOH"	80.974872
"1333205"	552.041629	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Cl+NaCOOH"	102.956829
"918793"	562.070386	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M-H+CF3COOH"	112.985586
"1292229"	598.047064	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Cl+CF3COOH"	148.962264
"1381092"	414.072124	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H-2H2O"	-35.012676
"1397010"	432.0821	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H-H2O"	-17.0027
"296695"	899.176876	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+H"	1.007276
"689844"	1348.261676	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+H"	1.007276
"1366193"	450.092076	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H"	1.007276
"141152"	450.092076	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+2H"	2.014552
"581327"	674.634476	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+2H"	2.014552
"1051821"	225.549676	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2H"	2.014552
"217535"	300.397142666667	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+3H"	3.021828
"652721"	450.092076	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+3H"	3.021828
"1171942"	150.702209333333	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+3H"	3.021828
"427558"	916.203423	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+NH4"	18.033823
"788187"	1365.288223	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+NH4"	18.033823
"1684884"	467.118623	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+NH4"	18.033823
"332069"	458.6053495	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+H+NH4"	19.041099
"734333"	683.1477495	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+H+NH4"	19.041099
"1485965"	234.0629495	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H+NH4"	19.041099
"402458"	921.158818	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+Na"	22.989218
"763453"	1370.243618	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+Na"	22.989218
"1613739"	472.074018	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Na"	22.989218
"324866"	461.083047	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+H+Na"	23.996494
"719475"	685.625447	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+H+Na"	23.996494
"1472205"	236.540647	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H+Na"	23.996494
"1054878"	158.029523333333	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2H+Na"	25.00377
"1259836"	482.118286	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+CH3OH+H"	33.033486
"379143"	937.132758	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+K"	38.963158
"745607"	1386.217558	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+K"	38.963158
"1545475"	488.047958	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+K"	38.963158
"303746"	469.070017	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+H+K"	39.970434
"702366"	693.612417	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+H+K"	39.970434
"1454363"	244.527617	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H+K"	39.970434
"248433"	940.203426	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+ACN+H"	42.033826
"1222963"	491.118626	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+ACN+H"	42.033826
"1208670"	246.062951	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+ACN+2H"	43.041102
"202270"	943.14076	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+2Na-H"	44.97116
"641831"	1392.22556	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+2Na-H"	44.97116
"1145336"	494.05596	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2Na-H"	44.97116
"186441"	472.074018	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+2Na"	45.978436
"626977"	696.616418	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+2Na"	45.978436
"1126953"	247.531618	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2Na"	45.978436
"1407926"	165.356837333333	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H+2Na"	46.985712
"1437492"	496.097546	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H+HCOOH"	47.012746
"227182"	477.10704	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+3H2O+2H"	56.04448
"1516343"	510.14959	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+IsoProp+H"	61.06479
"417125"	480.060988	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+Na+K"	61.952376
"782495"	704.603388	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+Na+K"	61.952376
"1679924"	255.518588	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Na+K"	61.952376
"264986"	962.185368	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+ACN+Na"	64.015768
"1232592"	513.100568	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+ACN+Na"	64.015768
"1722572"	513.124093	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+NH4+HCOOH"	64.039293
"1189020"	172.684151333333	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+3Na"	68.967654
"1658910"	518.079488	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Na+HCOOH"	68.994688
"165772"	975.08864	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+2K-H"	76.91904
"605332"	1424.17344	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+2K-H"	76.91904
"1093127"	526.00384	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2K-H"	76.91904
"154322"	488.047958	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"2M+2K"	77.926316
"593879"	712.590358	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"3M+2K"	77.926316
"1079482"	263.505558	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2K"	77.926316
"1113787"	528.018392	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2K+H"	78.933592
"1347987"	528.106007	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+DMSO+H"	79.021207
"1015424"	532.145176	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2ACN+H"	83.060376
"1532454"	533.138808	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+IsoProp+Na+H"	84.054008
"1003276"	266.576226	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+2ACN+2H"	84.067652
"1601061"	534.053428	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+K+HCOOH"	84.968628
"1427815"	564.084938	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+H+CF3COOH"	115.000138
"1157007"	287.089501	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+3ACN+2H"	125.094202
"1708743"	581.111485	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+NH4+CF3COOH"	132.026685
"1644405"	586.06688	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+Na+CF3COOH"	136.98208
"1581147"	602.04082	"C17250"	"Glucolesquerellin;6-Methylthiohexyl glucosinolate"	"C14H27NO9S3"	"449.0848"	"M+K+CF3COOH"	152.95602
"812605"	189.1187	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M"	0
"983951"	170.10031	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-H2O-H"	-19.01839
"73295"	125.071857333333	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M-3H"	-3.021828
"517107"	188.111424	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M-3H"	-3.021828
"891750"	62.0322906666667	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-3H"	-3.021828
"8140"	188.111424	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M-2H"	-2.014552
"452074"	282.670774	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M-2H"	-2.014552
"829148"	93.552074	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-2H"	-2.014552
"90596"	377.230124	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M-H"	-1.007276
"530518"	566.348824	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M-H"	-1.007276
"901760"	188.111424	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-H"	-1.007276
"47990"	394.256671	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M-2H+NH4"	16.019271
"491327"	583.375371	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M-2H+NH4"	16.019271
"868037"	205.137971	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-2H+NH4"	16.019271
"38125"	399.212066	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M-2H+Na"	20.974666
"482060"	588.330766	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M-2H+Na"	20.974666
"854395"	210.093366	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-2H+Na"	20.974666
"1630126"	210.093366	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Na-2H"	20.974666
"102645"	206.099763	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M-H+Cl"	33.962126
"545487"	300.659113	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M-H+Cl"	33.962126
"937910"	111.540413	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-H+Cl"	33.962126
"277560"	413.206802	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+Cl"	34.969402
"674360"	602.325502	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+Cl"	34.969402
"1282387"	224.088102	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Cl"	34.969402
"30660"	415.186006	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M-2H+K"	36.948606
"469977"	604.304706	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M-2H+K"	36.948606
"846805"	226.067306	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-2H+K"	36.948606
"1566887"	226.067306	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+K-2H"	36.948606
"951488"	234.116894	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-H+HCOOH"	44.998194
"367516"	423.235601	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+HCOOH-H"	44.998201
"353586"	437.251251	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+Hac-H"	59.013851
"1503516"	248.132551	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Hac-H"	59.013851
"972395"	256.098851	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-H+NaCOOH"	66.980151
"122883"	224.088102	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+2Cl"	69.938804
"561351"	318.647452	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+2Cl"	69.938804
"1034887"	129.528752	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2Cl"	69.938804
"1251917"	268.037585	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Br"	78.918885
"1312542"	270.093572	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Cl+HCOOH"	80.974872
"1333317"	292.075529	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Cl+NaCOOH"	102.956829
"925465"	302.104286	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M-H+CF3COOH"	112.985586
"1298896"	338.080964	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Cl+CF3COOH"	148.962264
"1379260"	154.106024	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H-2H2O"	-35.012676
"1395663"	172.116	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H-H2O"	-17.0027
"294255"	379.244676	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+H"	1.007276
"687769"	568.363376	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+H"	1.007276
"1364847"	190.125976	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H"	1.007276
"139562"	190.125976	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+2H"	2.014552
"576570"	284.685326	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+2H"	2.014552
"1047556"	95.566626	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2H"	2.014552
"215458"	127.086409333333	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+3H"	3.021828
"655019"	190.125976	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+3H"	3.021828
"1170957"	64.0468426666667	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+3H"	3.021828
"427668"	396.271223	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+NH4"	18.033823
"786839"	585.389923	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+NH4"	18.033823
"1684993"	207.152523	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+NH4"	18.033823
"335460"	198.6392495	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+H+NH4"	19.041099
"734442"	293.1985995	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+H+NH4"	19.041099
"1489355"	104.0798995	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H+NH4"	19.041099
"405846"	401.226618	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+Na"	22.989218
"759189"	590.345318	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+Na"	22.989218
"1613848"	212.107918	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Na"	22.989218
"321696"	201.116947	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+H+Na"	23.996494
"715210"	295.676297	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+H+Na"	23.996494
"1474500"	106.557597	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H+Na"	23.996494
"1054626"	71.3741566666667	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2H+Na"	25.00377
"1260677"	222.152186	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+CH3OH+H"	33.033486
"380348"	417.200558	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+K"	38.963158
"745719"	606.319258	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+K"	38.963158
"1548869"	228.081858	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+K"	38.963158
"311149"	209.103917	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+H+K"	39.970434
"705395"	303.663267	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+H+K"	39.970434
"1458850"	114.544567	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H+K"	39.970434
"247815"	420.271226	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+ACN+H"	42.033826
"1223075"	231.152526	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+ACN+H"	42.033826
"1208542"	116.079901	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+ACN+2H"	43.041102
"203111"	423.20856	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+2Na-H"	44.97116
"642307"	612.32726	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+2Na-H"	44.97116
"1146183"	234.08986	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2Na-H"	44.97116
"187402"	212.107918	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+2Na"	45.978436
"627330"	306.667268	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+2Na"	45.978436
"1129982"	117.548568	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2Na"	45.978436
"1405486"	78.7014706666667	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H+2Na"	46.985712
"1443070"	236.131446	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H+HCOOH"	47.012746
"225111"	217.14094	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+3H2O+2H"	56.04448
"1516453"	250.18349	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+IsoProp+H"	61.06479
"417235"	220.094888	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+Na+K"	61.952376
"784429"	314.654238	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+Na+K"	61.952376
"1680399"	125.535538	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Na+K"	61.952376
"265465"	442.253168	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+ACN+Na"	64.015768
"1237444"	253.134468	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+ACN+Na"	64.015768
"1724872"	253.157993	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+NH4+HCOOH"	64.039293
"1190227"	86.0287846666667	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+3Na"	68.967654
"1660116"	258.113388	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Na+HCOOH"	68.994688
"168808"	455.15644	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+2K-H"	76.91904
"609456"	644.27514	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+2K-H"	76.91904
"1095433"	266.03774	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2K-H"	76.91904
"150425"	228.081858	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"2M+2K"	77.926316
"589620"	322.641208	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"3M+2K"	77.926316
"1081419"	133.522508	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2K"	77.926316
"1112810"	268.052292	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2K+H"	78.933592
"1344820"	268.139907	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+DMSO+H"	79.021207
"1016995"	272.179076	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2ACN+H"	83.060376
"1536943"	273.172708	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+IsoProp+Na+H"	84.054008
"1003392"	136.593176	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+2ACN+2H"	84.067652
"1598987"	274.087328	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+K+HCOOH"	84.968628
"1426835"	304.118838	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+H+CF3COOH"	115.000138
"1162548"	157.106451	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+3ACN+2H"	125.094202
"1711043"	321.145385	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+NH4+CF3COOH"	132.026685
"1645606"	326.10078	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+Na+CF3COOH"	136.98208
"1581257"	342.07472	"C17251"	"8-Methylthiooctanaldoxime"	"C9H19NOS"	"189.1187"	"M+K+CF3COOH"	152.95602
"802022"	463.1004	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M"	0
"975312"	444.08201	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-H2O-H"	-19.01839
"70116"	307.726324	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M-3H"	-3.021828
"517337"	462.093124	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M-3H"	-3.021828
"894775"	153.359524	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-3H"	-3.021828
"12623"	462.093124	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M-2H"	-2.014552
"455102"	693.643324	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M-2H"	-2.014552
"831081"	230.542924	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-2H"	-2.014552
"92531"	925.193524	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M-H"	-1.007276
"529534"	1388.293924	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M-H"	-1.007276
"906244"	462.093124	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-H"	-1.007276
"47616"	942.220071	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M-2H+NH4"	16.019271
"491437"	1405.320471	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M-2H+NH4"	16.019271
"867054"	479.119671	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-2H+NH4"	16.019271
"38235"	947.175466	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M-2H+Na"	20.974666
"481077"	1410.275866	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M-2H+Na"	20.974666
"855598"	484.075066	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-2H+Na"	20.974666
"1633152"	484.075066	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Na-2H"	20.974666
"107858"	480.081463	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M-H+Cl"	33.962126
"547420"	711.631663	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M-H+Cl"	33.962126
"940207"	248.531263	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-H+Cl"	33.962126
"277670"	961.170202	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+Cl"	34.969402
"674594"	1424.270602	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+Cl"	34.969402
"1286872"	498.069802	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Cl"	34.969402
"30647"	963.149406	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M-2H+K"	36.948606
"470815"	1426.249806	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M-2H+K"	36.948606
"847159"	500.049006	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-2H+K"	36.948606
"1566997"	500.049006	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+K-2H"	36.948606
"950505"	508.098594	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-H+HCOOH"	44.998194
"369813"	971.199001	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+HCOOH-H"	44.998201
"353695"	985.214651	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+Hac-H"	59.013851
"1503990"	522.114251	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Hac-H"	59.013851
"972995"	530.080551	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-H+NaCOOH"	66.980151
"123722"	498.069802	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+2Cl"	69.938804
"562919"	729.620002	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+2Cl"	69.938804
"1033904"	266.519602	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2Cl"	69.938804
"1252390"	542.019285	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Br"	78.918885
"1318120"	544.075272	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Cl+HCOOH"	80.974872
"1331241"	566.057229	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Cl+NaCOOH"	102.956829
"921202"	576.085986	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M-H+CF3COOH"	112.985586
"1296820"	612.062664	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Cl+CF3COOH"	148.962264
"1379370"	428.087724	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H-2H2O"	-35.012676
"1394679"	446.0977	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H-H2O"	-17.0027
"293272"	927.208076	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+H"	1.007276
"682413"	1390.308476	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+H"	1.007276
"1363135"	464.107676	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H"	1.007276
"134932"	464.107676	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+2H"	2.014552
"571213"	695.657876	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+2H"	2.014552
"1044386"	232.557476	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2H"	2.014552
"209007"	309.740876	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+3H"	3.021828
"649663"	464.107676	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+3H"	3.021828
"1167787"	155.374076	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+3H"	3.021828
"427411"	944.234623	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+NH4"	18.033823
"787313"	1407.335023	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+NH4"	18.033823
"1685467"	481.134223	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+NH4"	18.033823
"334477"	472.6209495	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+H+NH4"	19.041099
"728355"	704.1711495	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+H+NH4"	19.041099
"1488373"	241.0707495	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H+NH4"	19.041099
"402679"	949.190018	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+Na"	22.989218
"762581"	1412.290418	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+Na"	22.989218
"1611772"	486.089618	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Na"	22.989218
"322901"	475.098647	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+H+Na"	23.996494
"718602"	706.648847	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+H+Na"	23.996494
"1472424"	243.548447	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H+Na"	23.996494
"1054738"	162.70139	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2H+Na"	25.00377
"1257753"	496.133886	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+CH3OH+H"	33.033486
"377906"	965.163958	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+K"	38.963158
"745831"	1428.264358	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+K"	38.963158
"1551167"	502.063558	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+K"	38.963158
"311623"	483.085617	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+H+K"	39.970434
"704777"	714.635817	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+H+K"	39.970434
"1458596"	251.535417	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H+K"	39.970434
"249018"	968.234626	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+ACN+H"	42.033826
"1223916"	505.134226	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+ACN+H"	42.033826
"1208531"	253.070751	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+ACN+2H"	43.041102
"202854"	971.17196	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+2Na-H"	44.97116
"642050"	1434.27236	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+2Na-H"	44.97116
"1146657"	508.07156	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2Na-H"	44.97116
"187636"	486.089618	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+2Na"	45.978436
"627440"	717.639818	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+2Na"	45.978436
"1130460"	254.539418	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2Na"	45.978436
"1408876"	170.028704	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H+2Na"	46.985712
"1443910"	510.113146	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H+HCOOH"	47.012746
"228501"	491.12264	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+3H2O+2H"	56.04448
"1516563"	524.16519	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+IsoProp+H"	61.06479
"416252"	494.076588	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+Na+K"	61.952376
"785471"	725.626788	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+Na+K"	61.952376
"1680509"	262.526388	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Na+K"	61.952376
"264485"	990.216568	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+ACN+Na"	64.015768
"1238647"	527.116168	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+ACN+Na"	64.015768
"1724618"	527.139693	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+NH4+HCOOH"	64.039293
"1191431"	177.356018	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+3Na"	68.967654
"1659137"	532.095088	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Na+HCOOH"	68.994688
"166731"	1003.11984	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+2K-H"	76.91904
"609204"	1466.22024	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+2K-H"	76.91904
"1094082"	540.01944	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2K-H"	76.91904
"150170"	502.063558	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"2M+2K"	77.926316
"590096"	733.613758	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"3M+2K"	77.926316
"1082621"	270.513358	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2K"	77.926316
"1114372"	542.033992	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2K+H"	78.933592
"1347844"	542.121607	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+DMSO+H"	79.021207
"1017833"	546.160776	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2ACN+H"	83.060376
"1537781"	547.154408	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+IsoProp+Na+H"	84.054008
"1003863"	273.584026	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+2ACN+2H"	84.067652
"1601893"	548.069028	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+K+HCOOH"	84.968628
"1428038"	578.100538	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+H+CF3COOH"	115.000138
"1162751"	294.097301	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+3ACN+2H"	125.094202
"1711152"	595.127085	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+NH4+CF3COOH"	132.026685
"1645716"	600.08248	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+Na+CF3COOH"	136.98208
"1581367"	616.05642	"C17252"	"7-Methylthioheptyl glucosinolate"	"C15H29NO9S3"	"463.1004"	"M+K+CF3COOH"	152.95602
"810640"	203.1344	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M"	0
"989446"	184.11601	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-H2O-H"	-19.01839
"78094"	134.415657333333	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M-3H"	-3.021828
"517773"	202.127124	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M-3H"	-3.021828
"895091"	66.7041906666667	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-3H"	-3.021828
"14920"	202.127124	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M-2H"	-2.014552
"453386"	303.694324	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M-2H"	-2.014552
"826814"	100.559924	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-2H"	-2.014552
"85712"	405.261524	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M-H"	-1.007276
"527460"	608.395924	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M-H"	-1.007276
"903074"	202.127124	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-H"	-1.007276
"49798"	422.288071	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M-2H+NH4"	16.019271
"498110"	625.422471	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M-2H+NH4"	16.019271
"870444"	219.153671	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-2H+NH4"	16.019271
"38346"	427.243466	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M-2H+Na"	20.974666
"482280"	630.377866	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M-2H+Na"	20.974666
"863691"	224.109066	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-2H+Na"	20.974666
"1633264"	224.109066	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Na-2H"	20.974666
"109722"	220.115463	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M-H+Cl"	33.962126
"548990"	321.682663	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M-H+Cl"	33.962126
"940925"	118.548263	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-H+Cl"	33.962126
"279968"	441.238202	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+Cl"	34.969402
"673483"	644.372602	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+Cl"	34.969402
"1286253"	238.103802	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Cl"	34.969402
"31368"	443.217406	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M-2H+K"	36.948606
"468734"	646.351806	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M-2H+K"	36.948606
"841431"	240.083006	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-2H+K"	36.948606
"1567106"	240.083006	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+K-2H"	36.948606
"950615"	248.132594	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-H+HCOOH"	44.998194
"367736"	451.267001	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+HCOOH-H"	44.998201
"361313"	465.282651	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+Hac-H"	59.013851
"1506289"	262.148251	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Hac-H"	59.013851
"970913"	270.114551	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-H+NaCOOH"	66.980151
"123103"	238.103802	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+2Cl"	69.938804
"564485"	339.671002	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+2Cl"	69.938804
"1035106"	136.536602	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2Cl"	69.938804
"1252499"	282.053285	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Br"	78.918885
"1316770"	284.109272	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Cl+HCOOH"	80.974872
"1329163"	306.091229	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Cl+NaCOOH"	102.956829
"925329"	316.119986	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M-H+CF3COOH"	112.985586
"1299120"	352.096664	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Cl+CF3COOH"	148.962264
"1380212"	168.121724	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H-2H2O"	-35.012676
"1395521"	186.1317	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H-H2O"	-17.0027
"295204"	407.276076	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+H"	1.007276
"685803"	610.410476	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+H"	1.007276
"1362517"	204.141676	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H"	1.007276
"139053"	204.141676	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+2H"	2.014552
"569135"	305.708876	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+2H"	2.014552
"1042312"	102.574476	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2H"	2.014552
"212400"	136.430209333333	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+3H"	3.021828
"650865"	204.141676	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+3H"	3.021828
"1167167"	68.7187426666667	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+3H"	3.021828
"430077"	424.302623	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+NH4"	18.033823
"789975"	627.437023	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+NH4"	18.033823
"1686670"	221.168223	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+NH4"	18.033823
"337867"	212.6549495	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+H+NH4"	19.041099
"729196"	314.2221495	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+H+NH4"	19.041099
"1480828"	111.0877495	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H+NH4"	19.041099
"398415"	429.258018	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+Na"	22.989218
"762690"	632.392418	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+Na"	22.989218
"1609695"	226.123618	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Na"	22.989218
"325197"	215.132647	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+H+Na"	23.996494
"717621"	316.699847	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+H+Na"	23.996494
"1463789"	113.565447	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H+Na"	23.996494
"1054121"	76.0460566666667	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2H+Na"	25.00377
"1264183"	236.167886	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+CH3OH+H"	33.033486
"379842"	445.231958	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+K"	38.963158
"744847"	648.366358	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+K"	38.963158
"1552001"	242.097558	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+K"	38.963158
"310639"	223.119617	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+H+K"	39.970434
"706872"	324.686817	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+H+K"	39.970434
"1460774"	121.552417	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H+K"	39.970434
"250346"	448.302626	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+ACN+H"	42.033826
"1224635"	245.168226	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+ACN+H"	42.033826
"1209492"	123.087751	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+ACN+2H"	43.041102
"203904"	451.23996	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+2Na-H"	44.97116
"643833"	654.37436	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+2Na-H"	44.97116
"1146978"	248.10556	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2Na-H"	44.97116
"188404"	226.123618	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+2Na"	45.978436
"628325"	327.690818	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+2Na"	45.978436
"1126556"	124.556418	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2Na"	45.978436
"1410081"	83.3733706666667	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H+2Na"	46.985712
"1441103"	250.147146	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H+HCOOH"	47.012746
"235299"	231.15664	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+3H2O+2H"	56.04448
"1523854"	264.19919	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+IsoProp+H"	61.06479
"423584"	234.110588	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+Na+K"	61.952376
"785019"	335.677788	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+Na+K"	61.952376
"1680830"	132.543388	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Na+K"	61.952376
"266297"	470.284568	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+ACN+Na"	64.015768
"1236203"	267.150168	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+ACN+Na"	64.015768
"1721809"	267.173693	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+NH4+HCOOH"	64.039293
"1191538"	90.7006846666667	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+3Na"	68.967654
"1660338"	272.129088	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Na+HCOOH"	68.994688
"168295"	483.18784	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+2K-H"	76.91904
"610043"	686.32224	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+2K-H"	76.91904
"1094557"	280.05344	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2K-H"	76.91904
"154652"	242.097558	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"2M+2K"	77.926316
"593483"	343.664758	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"3M+2K"	77.926316
"1080912"	140.530358	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2K"	77.926316
"1113394"	282.067992	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2K+H"	78.933592
"1350873"	282.155607	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+DMSO+H"	79.021207
"1018675"	286.194776	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2ACN+H"	83.060376
"1537529"	287.188408	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+IsoProp+Na+H"	84.054008
"1004339"	143.601026	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+2ACN+2H"	84.067652
"1601880"	288.103028	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+K+HCOOH"	84.968628
"1428508"	318.134538	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+H+CF3COOH"	115.000138
"1157340"	164.114301	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+3ACN+2H"	125.094202
"1703612"	335.161085	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+NH4+CF3COOH"	132.026685
"1648014"	340.11648	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+Na+CF3COOH"	136.98208
"1581477"	356.09042	"C17253"	"9-Methylthiononanaldoxime"	"C10H21NOS"	"203.1344"	"M+K+CF3COOH"	152.95602
"809655"	477.1161	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M"	0
"985375"	458.09771	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-H2O-H"	-19.01839
"76902"	317.070124	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M-3H"	-3.021828
"515372"	476.108824	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M-3H"	-3.021828
"894267"	158.031424	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-3H"	-3.021828
"14667"	476.108824	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M-2H"	-2.014552
"453496"	714.666874	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M-2H"	-2.014552
"825831"	237.550774	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-2H"	-2.014552
"85822"	953.224924	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M-H"	-1.007276
"527570"	1430.341024	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M-H"	-1.007276
"900998"	476.108824	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-H"	-1.007276
"61577"	970.251471	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M-2H+NH4"	16.019271
"499315"	1447.367571	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M-2H+NH4"	16.019271
"877117"	493.135371	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-2H+NH4"	16.019271
"46973"	975.206866	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M-2H+Na"	20.974666
"487094"	1452.322966	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M-2H+Na"	20.974666
"860195"	498.090766	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-2H+Na"	20.974666
"1632523"	498.090766	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Na-2H"	20.974666
"109541"	494.097163	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M-H+Cl"	33.962126
"548978"	732.655213	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M-H+Cl"	33.962126
"941398"	255.539113	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-H+Cl"	33.962126
"277890"	989.201602	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+Cl"	34.969402
"672501"	1466.317702	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+Cl"	34.969402
"1286363"	512.085502	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Cl"	34.969402
"31226"	991.180806	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M-2H+K"	36.948606
"471203"	1468.296906	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M-2H+K"	36.948606
"843727"	514.064706	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-2H+K"	36.948606
"1567216"	514.064706	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+K-2H"	36.948606
"955098"	522.114294	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-H+HCOOH"	44.998194
"373313"	999.230401	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+HCOOH-H"	44.998201
"358658"	1013.246051	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+Hac-H"	59.013851
"1507492"	536.129951	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Hac-H"	59.013851
"973949"	544.096251	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-H+NaCOOH"	66.980151
"121388"	512.085502	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+2Cl"	69.938804
"563501"	750.643552	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+2Cl"	69.938804
"1034851"	273.527452	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2Cl"	69.938804
"1254796"	556.034985	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Br"	78.918885
"1317242"	558.090972	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Cl+HCOOH"	80.974872
"1333281"	580.072929	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Cl+NaCOOH"	102.956829
"911948"	590.101686	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M-H+CF3COOH"	112.985586
"1299230"	626.078364	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Cl+CF3COOH"	148.962264
"1382138"	442.103424	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H-2H2O"	-35.012676
"1395994"	460.1134	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H-H2O"	-17.0027
"295316"	955.239476	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+H"	1.007276
"687373"	1432.355576	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+H"	1.007276
"1362262"	478.123376	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H"	1.007276
"138434"	478.123376	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+2H"	2.014552
"570704"	716.681426	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+2H"	2.014552
"1041693"	239.565326	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2H"	2.014552
"208138"	319.084676	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+3H"	3.021828
"648424"	478.123376	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+3H"	3.021828
"1164725"	160.045976	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+3H"	3.021828
"427634"	972.266023	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+NH4"	18.033823
"789356"	1449.382123	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+NH4"	18.033823
"1686416"	495.149923	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+NH4"	18.033823
"335788"	486.6366495	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+H+NH4"	19.041099
"728212"	725.1946995	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+H+NH4"	19.041099
"1479847"	248.0785995	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H+NH4"	19.041099
"400711"	977.221418	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+Na"	22.989218
"761704"	1454.337518	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+Na"	22.989218
"1610897"	500.105318	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Na"	22.989218
"323119"	489.114347	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+H+Na"	23.996494
"716636"	727.672397	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+H+Na"	23.996494
"1462197"	250.556297	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H+Na"	23.996494
"1059335"	167.37329	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2H+Na"	25.00377
"1263201"	510.149586	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+CH3OH+H"	33.033486
"385057"	993.195358	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+K"	38.963158
"749333"	1470.311458	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+K"	38.963158
"1553573"	516.079258	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+K"	38.963158
"312573"	497.101317	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+H+K"	39.970434
"706454"	735.659367	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+H+K"	39.970434
"1461254"	258.543267	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H+K"	39.970434
"250579"	996.266026	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+ACN+H"	42.033826
"1225110"	519.149926	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+ACN+H"	42.033826
"1209729"	260.078601	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+ACN+2H"	43.041102
"203976"	999.20336	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+2Na-H"	44.97116
"644026"	1476.31946	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+2Na-H"	44.97116
"1146762"	522.08726	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2Na-H"	44.97116
"188474"	500.105318	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+2Na"	45.978436
"628397"	738.663368	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+2Na"	45.978436
"1128125"	261.547268	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2Na"	45.978436
"1410191"	174.700604	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H+2Na"	46.985712
"1440849"	524.128846	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H+HCOOH"	47.012746
"234559"	505.13834	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+3H2O+2H"	56.04448
"1524001"	538.18089	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+IsoProp+H"	61.06479
"423898"	508.092288	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+Na+K"	61.952376
"785525"	746.650338	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+Na+K"	61.952376
"1680905"	269.534238	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Na+K"	61.952376
"266816"	1018.247968	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+ACN+Na"	64.015768
"1237777"	541.131868	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+ACN+Na"	64.015768
"1725205"	541.155393	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+NH4+HCOOH"	64.039293
"1189461"	182.027918	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+3Na"	68.967654
"1657170"	546.110788	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Na+HCOOH"	68.994688
"165127"	1031.15124	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+2K-H"	76.91904
"610153"	1508.26734	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+2K-H"	76.91904
"1095761"	554.03514	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2K-H"	76.91904
"153306"	516.079258	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"2M+2K"	77.926316
"593594"	754.637308	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"3M+2K"	77.926316
"1080295"	277.521208	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2K"	77.926316
"1114598"	556.049692	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2K+H"	78.933592
"1349890"	556.137307	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+DMSO+H"	79.021207
"1019514"	560.176476	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2ACN+H"	83.060376
"1539786"	561.170108	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+IsoProp+Na+H"	84.054008
"1004086"	280.591876	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+2ACN+2H"	84.067652
"1601869"	562.084728	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+K+HCOOH"	84.968628
"1428740"	592.116238	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+H+CF3COOH"	115.000138
"1156357"	301.105151	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+3ACN+2H"	125.094202
"1703722"	609.142785	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+NH4+CF3COOH"	132.026685
"1648124"	614.09818	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+Na+CF3COOH"	136.98208
"1581587"	630.07212	"C17254"	"8-Methylthiooctyl glucosinolate"	"C16H31NO9S3"	"477.1161"	"M+K+CF3COOH"	152.95602
"811951"	101.0841	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M"	0
"985485"	82.06571	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-H2O-H"	-19.01839
"77623"	66.382124	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M-3H"	-3.021828
"515479"	100.076824	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M-3H"	-3.021828
"892189"	32.687424	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-3H"	-3.021828
"14047"	100.076824	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M-2H"	-2.014552
"453852"	150.618874	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M-2H"	-2.014552
"830197"	49.534774	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-2H"	-2.014552
"92864"	201.160924	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M-H"	-1.007276
"529868"	302.245024	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M-H"	-1.007276
"901108"	100.076824	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-H"	-1.007276
"53300"	218.187471	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M-2H+NH4"	16.019271
"499910"	319.271571	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M-2H+NH4"	16.019271
"879420"	117.103371	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-2H+NH4"	16.019271
"45989"	223.142866	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M-2H+Na"	20.974666
"485298"	324.226966	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M-2H+Na"	20.974666
"862007"	122.058766	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-2H+Na"	20.974666
"1633363"	122.058766	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Na-2H"	20.974666
"99079"	118.065163	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M-H+Cl"	33.962126
"539368"	168.607213	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M-H+Cl"	33.962126
"938348"	67.523113	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-H+Cl"	33.962126
"275813"	237.137602	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+Cl"	34.969402
"670422"	338.221702	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+Cl"	34.969402
"1279546"	136.053502	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Cl"	34.969402
"28663"	239.116806	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M-2H+K"	36.948606
"469682"	340.200906	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M-2H+K"	36.948606
"845661"	138.032706	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-2H+K"	36.948606
"1568420"	138.032706	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+K-2H"	36.948606
"954845"	146.082294	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-H+HCOOH"	44.998194
"372328"	247.166401	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+HCOOH-H"	44.998201
"355117"	261.182051	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+Hac-H"	59.013851
"1498482"	160.097951	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Hac-H"	59.013851
"967118"	168.064251	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-H+NaCOOH"	66.980151
"120400"	136.053502	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+2Cl"	69.938804
"561058"	186.595552	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+2Cl"	69.938804
"1033136"	85.511452	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2Cl"	69.938804
"1248340"	180.002985	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Br"	78.918885
"1314070"	182.058972	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Cl+HCOOH"	80.974872
"1329379"	204.040929	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Cl+NaCOOH"	102.956829
"918251"	214.069686	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M-H+CF3COOH"	112.985586
"1296057"	250.046364	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Cl+CF3COOH"	148.962264
"1382368"	66.071424	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H-2H2O"	-35.012676
"1395739"	84.0814	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H-H2O"	-17.0027
"294697"	203.175476	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+H"	1.007276
"687118"	304.259576	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+H"	1.007276
"1359092"	102.091376	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H"	1.007276
"136357"	102.091376	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+2H"	2.014552
"574824"	152.633426	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+2H"	2.014552
"1041439"	51.549326	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2H"	2.014552
"209342"	68.396676	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+3H"	3.021828
"648170"	102.091376	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+3H"	3.021828
"1164107"	34.701976	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+3H"	3.021828
"425558"	220.202023	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+NH4"	18.033823
"792383"	321.286123	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+NH4"	18.033823
"1688713"	119.117923	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+NH4"	18.033823
"334075"	110.6046495	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+H+NH4"	19.041099
"732697"	161.1466995	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+H+NH4"	19.041099
"1487609"	60.0625995	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H+NH4"	19.041099
"401915"	225.157418	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+Na"	22.989218
"762909"	326.241518	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+Na"	22.989218
"1612101"	124.073318	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Na"	22.989218
"322136"	113.082347	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+H+Na"	23.996494
"716746"	163.624397	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+H+Na"	23.996494
"1462186"	62.540297	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H+Na"	23.996494
"1057259"	42.02929	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2H+Na"	25.00377
"1261124"	134.117586	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+CH3OH+H"	33.033486
"380794"	241.131358	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+K"	38.963158
"740696"	342.215458	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+K"	38.963158
"1548216"	140.047258	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+K"	38.963158
"307580"	121.069317	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+H+K"	39.970434
"701094"	171.611367	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+H+K"	39.970434
"1459535"	70.527267	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H+K"	39.970434
"247891"	244.202026	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+ACN+H"	42.033826
"1224248"	143.117926	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+ACN+H"	42.033826
"1208374"	72.062601	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+ACN+2H"	43.041102
"204048"	247.13936	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+2Na-H"	44.97116
"643849"	348.22346	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+2Na-H"	44.97116
"1146871"	146.05526	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2Na-H"	44.97116
"187975"	124.073318	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+2Na"	45.978436
"628347"	174.615368	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+2Na"	45.978436
"1130430"	73.531268	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2Na"	45.978436
"1413472"	49.356604	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H+2Na"	46.985712
"1444977"	148.096846	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H+HCOOH"	47.012746
"234791"	129.10634	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+3H2O+2H"	56.04448
"1523710"	162.14889	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+IsoProp+H"	61.06479
"423765"	132.060288	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+Na+K"	61.952376
"785001"	182.602338	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+Na+K"	61.952376
"1680607"	81.518238	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Na+K"	61.952376
"266522"	266.183968	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+ACN+Na"	64.015768
"1239346"	165.099868	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+ACN+Na"	64.015768
"1724951"	165.123393	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+NH4+HCOOH"	64.039293
"1189938"	56.683918	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+3Na"	68.967654
"1659104"	170.078788	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Na+HCOOH"	68.994688
"164509"	279.08724	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+2K-H"	76.91904
"608805"	380.17134	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+2K-H"	76.91904
"1095507"	178.00314	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2K-H"	76.91904
"151961"	140.047258	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"2M+2K"	77.926316
"592246"	190.589308	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"3M+2K"	77.926316
"1082227"	89.505208	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2K"	77.926316
"1113980"	180.017692	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2K+H"	78.933592
"1350730"	180.105307	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+DMSO+H"	79.021207
"1019624"	184.144476	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2ACN+H"	83.060376
"1538480"	185.138108	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+IsoProp+Na+H"	84.054008
"1004805"	92.575876	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+2ACN+2H"	84.067652
"1602349"	186.052728	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+K+HCOOH"	84.968628
"1429094"	216.084238	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+H+CF3COOH"	115.000138
"1158654"	113.089151	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+3ACN+2H"	125.094202
"1708204"	233.110785	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+NH4+CF3COOH"	132.026685
"1642766"	238.06618	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+Na+CF3COOH"	136.98208
"1581697"	254.04012	"C17255"	"3-Methylbutyraldehyde oxime"	"C5H11NO"	"101.0841"	"M+K+CF3COOH"	152.95602
"810968"	375.0658	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M"	0
"981220"	356.04741	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H2O-H"	-19.01839
"78290"	249.036590666667	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-3H"	-3.021828
"512309"	374.058524	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-3H"	-3.021828
"892299"	124.014657333333	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-3H"	-3.021828
"15252"	374.058524	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H"	-2.014552
"455547"	561.591424	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H"	-2.014552
"832257"	186.525624	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H"	-2.014552
"92974"	749.124324	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-H"	-1.007276
"529614"	1124.190124	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-H"	-1.007276
"901218"	374.058524	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H"	-1.007276
"55596"	766.150871	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H+NH4"	16.019271
"500262"	1141.216671	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H+NH4"	16.019271
"878432"	391.085071	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H+NH4"	16.019271
"45238"	771.106266	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H+Na"	20.974666
"485650"	1146.172066	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H+Na"	20.974666
"862481"	396.040466	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H+Na"	20.974666
"1633232"	396.040466	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na-2H"	20.974666
"101376"	392.046863	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-H+Cl"	33.962126
"542759"	579.579763	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-H+Cl"	33.962126
"939552"	204.513963	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+Cl"	33.962126
"280906"	785.101002	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Cl"	34.969402
"668346"	1160.166802	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+Cl"	34.969402
"1284031"	410.035202	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl"	34.969402
"27682"	787.080206	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M-2H+K"	36.948606
"470157"	1162.146006	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M-2H+K"	36.948606
"840669"	412.014406	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-2H+K"	36.948606
"1563063"	412.014406	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K-2H"	36.948606
"952039"	420.063994	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+HCOOH"	44.998194
"369158"	795.129801	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+HCOOH-H"	44.998201
"351948"	809.145451	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Hac-H"	59.013851
"1499686"	434.079651	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Hac-H"	59.013851
"966135"	442.045951	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+NaCOOH"	66.980151
"118324"	410.035202	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2Cl"	69.938804
"558980"	597.568102	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2Cl"	69.938804
"1033246"	222.502302	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2Cl"	69.938804
"1248450"	453.984685	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Br"	78.918885
"1313088"	456.040672	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl+HCOOH"	80.974872
"1328396"	478.022629	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl+NaCOOH"	102.956829
"921641"	488.051386	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M-H+CF3COOH"	112.985586
"1295072"	524.028064	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Cl+CF3COOH"	148.962264
"1376518"	340.053124	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H-2H2O"	-35.012676
"1385264"	358.0631	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H-H2O"	-17.0027
"296985"	751.138876	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H"	1.007276
"687228"	1126.204676	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H"	1.007276
"1358109"	376.073076	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H"	1.007276
"137560"	376.073076	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2H"	2.014552
"579307"	563.605976	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2H"	2.014552
"1045922"	188.540176	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2H"	2.014552
"207991"	251.051142666667	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+3H"	3.021828
"647549"	376.073076	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+3H"	3.021828
"1166039"	126.029209333333	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+3H"	3.021828
"429312"	768.165423	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+NH4"	18.033823
"792857"	1143.231223	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+NH4"	18.033823
"1689918"	393.099623	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+NH4"	18.033823
"332727"	384.5863495	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H+NH4"	19.041099
"732807"	572.1192495	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H+NH4"	19.041099
"1488813"	197.0534495	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+NH4"	19.041099
"404210"	773.120818	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Na"	22.989218
"764113"	1148.186618	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+Na"	22.989218
"1612211"	398.055018	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na"	22.989218
"323340"	387.064047	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H+Na"	23.996494
"715763"	574.596947	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H+Na"	23.996494
"1466310"	199.531147	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+Na"	23.996494
"1055175"	133.356523333333	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2H+Na"	25.00377
"1258073"	408.099286	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+CH3OH+H"	33.033486
"380903"	789.094758	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+K"	38.963158
"740806"	1164.160558	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+K"	38.963158
"1542129"	414.028958	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K"	38.963158
"306595"	395.051017	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+H+K"	39.970434
"705463"	582.583917	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+H+K"	39.970434
"1460255"	207.518117	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+K"	39.970434
"249466"	792.165426	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+ACN+H"	42.033826
"1224482"	417.099626	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+ACN+H"	42.033826
"1208736"	209.053451	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+ACN+2H"	43.041102
"203786"	795.10276	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2Na-H"	44.97116
"643710"	1170.16856	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2Na-H"	44.97116
"1144054"	420.03696	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2Na-H"	44.97116
"187835"	398.055018	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2Na"	45.978436
"625565"	585.587918	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2Na"	45.978436
"1129810"	210.522118	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2Na"	45.978436
"1413946"	140.683837333333	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+2Na"	46.985712
"1444115"	422.078546	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+HCOOH"	47.012746
"233321"	403.08804	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+3H2O+2H"	56.04448
"1523340"	436.13059	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+IsoProp+H"	61.06479
"423149"	406.041988	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+Na+K"	61.952376
"785074"	593.574888	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+Na+K"	61.952376
"1680354"	218.509088	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na+K"	61.952376
"266591"	814.147368	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+ACN+Na"	64.015768
"1238725"	439.081568	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+ACN+Na"	64.015768
"1725791"	439.105093	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+NH4+HCOOH"	64.039293
"1187497"	148.011151333333	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+3Na"	68.967654
"1660673"	444.060488	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na+HCOOH"	68.994688
"165346"	827.05064	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2K-H"	76.91904
"608915"	1202.11644	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2K-H"	76.91904
"1095981"	451.98484	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2K-H"	76.91904
"151706"	414.028958	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"2M+2K"	77.926316
"593449"	601.561858	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"3M+2K"	77.926316
"1081607"	226.496058	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2K"	77.926316
"1114456"	453.999392	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2K+H"	78.933592
"1349992"	454.087007	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+DMSO+H"	79.021207
"1020098"	458.126176	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2ACN+H"	83.060376
"1538591"	459.119808	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+IsoProp+Na+H"	84.054008
"1005405"	229.566726	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+2ACN+2H"	84.067652
"1601607"	460.034428	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K+HCOOH"	84.968628
"1429203"	490.065938	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+H+CF3COOH"	115.000138
"1159857"	250.080001	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+3ACN+2H"	125.094202
"1711594"	507.092485	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+NH4+CF3COOH"	132.026685
"1641783"	512.04788	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+Na+CF3COOH"	136.98208
"1581807"	528.02182	"C17256"	"2-Methylpropyl glucosinolate;Isobutyl glucosinolate"	"C11H21NO9S2"	"375.0658"	"M+K+CF3COOH"	152.95602
"808892"	389.0814	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M"	0
"980237"	370.06301	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-H2O-H"	-19.01839
"77234"	258.380324	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M-3H"	-3.021828
"512419"	388.074124	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M-3H"	-3.021828
"891315"	128.686524	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-3H"	-3.021828
"14756"	388.074124	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M-2H"	-2.014552
"453827"	582.614824	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M-2H"	-2.014552
"832533"	193.533424	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-2H"	-2.014552
"93571"	777.155524	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M-H"	-1.007276
"528994"	1166.236924	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M-H"	-1.007276
"904608"	388.074124	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-H"	-1.007276
"53515"	794.182071	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M-2H+NH4"	16.019271
"495997"	1183.263471	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M-2H+NH4"	16.019271
"868698"	405.100671	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-2H+NH4"	16.019271
"38787"	799.137466	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M-2H+Na"	20.974666
"482721"	1188.218866	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M-2H+Na"	20.974666
"863441"	410.056066	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-2H+Na"	20.974666
"1631151"	410.056066	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Na-2H"	20.974666
"101122"	406.062463	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M-H+Cl"	33.962126
"543962"	600.603163	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M-H+Cl"	33.962126
"941365"	211.521763	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-H+Cl"	33.962126
"280166"	813.132202	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+Cl"	34.969402
"668456"	1202.213602	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+Cl"	34.969402
"1285234"	424.050802	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Cl"	34.969402
"28885"	815.111406	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M-2H+K"	36.948606
"467352"	1204.192806	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M-2H+K"	36.948606
"840779"	426.030006	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-2H+K"	36.948606
"1566453"	426.030006	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+K-2H"	36.948606
"951056"	434.079594	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-H+HCOOH"	44.998194
"368175"	823.161001	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+HCOOH-H"	44.998201
"349872"	837.176651	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+Hac-H"	59.013851
"1499796"	448.095251	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Hac-H"	59.013851
"965152"	456.061551	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-H+NaCOOH"	66.980151
"118434"	424.050802	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+2Cl"	69.938804
"559090"	618.591502	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+2Cl"	69.938804
"1032263"	229.510102	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2Cl"	69.938804
"1249654"	468.000285	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Br"	78.918885
"1313198"	470.056272	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Cl+HCOOH"	80.974872
"1329599"	492.038229	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Cl+NaCOOH"	102.956829
"921751"	502.066986	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M-H+CF3COOH"	112.985586
"1291901"	538.043664	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Cl+CF3COOH"	148.962264
"1375534"	354.068724	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H-2H2O"	-35.012676
"1384280"	372.0787	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H-H2O"	-17.0027
"290530"	779.170076	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+H"	1.007276
"689526"	1168.251476	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+H"	1.007276
"1361499"	390.088676	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H"	1.007276
"132202"	390.088676	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+2H"	2.014552
"578323"	584.629376	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+2H"	2.014552
"1048217"	195.547976	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2H"	2.014552
"212839"	260.394876	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+3H"	3.021828
"651306"	390.088676	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+3H"	3.021828
"1165056"	130.701076	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+3H"	3.021828
"429786"	796.196623	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+NH4"	18.033823
"791511"	1185.278023	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+NH4"	18.033823
"1690029"	407.115223	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+NH4"	18.033823
"333567"	398.6019495	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+H+NH4"	19.041099
"732916"	593.1426495	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+H+NH4"	19.041099
"1486736"	204.0612495	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H+NH4"	19.041099
"402133"	801.152018	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+Na"	22.989218
"763129"	1190.233418	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+Na"	22.989218
"1612320"	412.070618	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Na"	22.989218
"322357"	401.079647	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+H+Na"	23.996494
"716966"	595.620347	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+H+Na"	23.996494
"1467513"	206.538947	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H+Na"	23.996494
"1056744"	138.02839	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2H+Na"	25.00377
"1258063"	422.114886	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+CH3OH+H"	33.033486
"381013"	817.125958	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+K"	38.963158
"740187"	1206.207358	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+K"	38.963158
"1543332"	428.044558	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+K"	38.963158
"307799"	409.066617	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+H+K"	39.970434
"706546"	603.607317	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+H+K"	39.970434
"1460485"	214.525917	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H+K"	39.970434
"250789"	820.196626	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+ACN+H"	42.033826
"1224839"	431.115226	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+ACN+H"	42.033826
"1208603"	216.061251	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+ACN+2H"	43.041102
"203984"	823.13396	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+2Na-H"	44.97116
"643455"	1212.21536	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+2Na-H"	44.97116
"1145013"	434.05256	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2Na-H"	44.97116
"188192"	412.070618	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+2Na"	45.978436
"626893"	606.611318	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+2Na"	45.978436
"1130405"	217.529918	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2Na"	45.978436
"1413690"	145.355704	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H+2Na"	46.985712
"1444098"	436.094146	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H+HCOOH"	47.012746
"232336"	417.10364	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+3H2O+2H"	56.04448
"1523088"	450.14619	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+IsoProp+H"	61.06479
"422651"	420.057588	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+Na+K"	61.952376
"785063"	614.598288	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+Na+K"	61.952376
"1680465"	225.516888	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Na+K"	61.952376
"266618"	842.178568	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+ACN+Na"	64.015768
"1238836"	453.097168	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+ACN+Na"	64.015768
"1724808"	453.120693	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+NH4+HCOOH"	64.039293
"1189429"	152.683018	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+3Na"	68.967654
"1659688"	458.076088	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Na+HCOOH"	68.994688
"165456"	855.08184	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+2K-H"	76.91904
"607932"	1244.16324	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+2K-H"	76.91904
"1096091"	466.00044	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2K-H"	76.91904
"151816"	428.044558	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"2M+2K"	77.926316
"595019"	622.585258	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"3M+2K"	77.926316
"1082083"	233.503858	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2K"	77.926316
"1113836"	468.014992	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2K+H"	78.933592
"1350101"	468.102607	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+DMSO+H"	79.021207
"1019723"	472.141776	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2ACN+H"	83.060376
"1537605"	473.135408	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+IsoProp+Na+H"	84.054008
"1004906"	236.574526	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+2ACN+2H"	84.067652
"1602204"	474.050028	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+K+HCOOH"	84.968628
"1429316"	504.081538	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+H+CF3COOH"	115.000138
"1157780"	257.087801	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+3ACN+2H"	125.094202
"1708424"	521.108085	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+NH4+CF3COOH"	132.026685
"1642986"	526.06348	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+Na+CF3COOH"	136.98208
"1581917"	542.03742	"C17257"	"2-Methylbutyl glucosinolate"	"C12H23NO9S2"	"389.0814"	"M+K+CF3COOH"	152.95602
"812281"	289.8392	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M"	0
"982533"	270.82081	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-H2O-H"	-19.01839
"78073"	192.218857333333	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M-3H"	-3.021828
"512529"	288.831924	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M-3H"	-3.021828
"891425"	95.6057906666667	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-3H"	-3.021828
"14742"	288.831924	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M-2H"	-2.014552
"453207"	433.751524	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M-2H"	-2.014552
"832478"	143.912324	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-2H"	-2.014552
"93845"	578.671124	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M-H"	-1.007276
"529104"	868.510324	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M-H"	-1.007276
"903625"	288.831924	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-H"	-1.007276
"52532"	595.697671	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M-2H+NH4"	16.019271
"496471"	885.536871	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M-2H+NH4"	16.019271
"866742"	305.858471	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-2H+NH4"	16.019271
"33670"	600.653066	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M-2H+Na"	20.974666
"476270"	890.492266	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M-2H+Na"	20.974666
"851886"	310.813866	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-2H+Na"	20.974666
"1631261"	310.813866	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Na-2H"	20.974666
"100139"	306.820263	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M-H+Cl"	33.962126
"541885"	451.739863	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M-H+Cl"	33.962126
"939773"	161.900663	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-H+Cl"	33.962126
"279424"	614.647802	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+Cl"	34.969402
"670752"	904.487002	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+Cl"	34.969402
"1283157"	324.808602	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Cl"	34.969402
"27901"	616.627006	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M-2H+K"	36.948606
"468554"	906.466206	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M-2H+K"	36.948606
"846352"	326.787806	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-2H+K"	36.948606
"1567655"	326.787806	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+K-2H"	36.948606
"953352"	334.837394	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-H+HCOOH"	44.998194
"365367"	624.676601	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+HCOOH-H"	44.998201
"349248"	638.692251	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+Hac-H"	59.013851
"1500999"	348.853051	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Hac-H"	59.013851
"965260"	356.819351	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-H+NaCOOH"	66.980151
"119636"	324.808602	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+2Cl"	69.938804
"557013"	469.728202	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+2Cl"	69.938804
"1033466"	179.889002	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2Cl"	69.938804
"1248671"	368.758085	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Br"	78.918885
"1314401"	370.814072	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Cl+HCOOH"	80.974872
"1326429"	392.796029	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Cl+NaCOOH"	102.956829
"919674"	402.824786	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M-H+CF3COOH"	112.985586
"1290918"	438.801464	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Cl+CF3COOH"	148.962264
"1370172"	254.826524	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H-2H2O"	-35.012676
"1385483"	272.8365	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H-H2O"	-17.0027
"287359"	580.685676	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+H"	1.007276
"691047"	870.524876	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+H"	1.007276
"1356142"	290.846476	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H"	1.007276
"128666"	290.846476	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+2H"	2.014552
"571872"	435.766076	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+2H"	2.014552
"1039941"	145.926876	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2H"	2.014552
"208207"	194.233409333333	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+3H"	3.021828
"649229"	290.846476	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+3H"	3.021828
"1166987"	97.6203426666667	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+3H"	3.021828
"426250"	597.712223	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+NH4"	18.033823
"787243"	887.551423	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+NH4"	18.033823
"1687586"	307.873023	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+NH4"	18.033823
"331486"	299.3597495	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+H+NH4"	19.041099
"733756"	444.2793495	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+H+NH4"	19.041099
"1481377"	154.4401495	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H+NH4"	19.041099
"401152"	602.667618	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+Na"	22.989218
"758866"	892.506818	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+Na"	22.989218
"1609151"	312.828418	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Na"	22.989218
"319186"	301.837447	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+H+Na"	23.996494
"717076"	446.757047	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+H+Na"	23.996494
"1462396"	156.917847	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H+Na"	23.996494
"1056854"	104.947656666667	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2H+Na"	25.00377
"1260359"	322.872686	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+CH3OH+H"	33.033486
"379419"	618.641558	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+K"	38.963158
"741386"	908.480758	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+K"	38.963158
"1546357"	328.802358	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+K"	38.963158
"307908"	309.824417	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+H+K"	39.970434
"700329"	454.744017	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+H+K"	39.970434
"1458523"	164.904817	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H+K"	39.970434
"250977"	621.712226	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+ACN+H"	42.033826
"1224820"	331.873026	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+ACN+H"	42.033826
"1209595"	166.440151	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+ACN+2H"	43.041102
"201329"	624.64956	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+2Na-H"	44.97116
"641982"	914.48876	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+2Na-H"	44.97116
"1144026"	334.81036	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2Na-H"	44.97116
"187930"	312.828418	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+2Na"	45.978436
"622502"	457.748018	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+2Na"	45.978436
"1129661"	167.908818	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2Na"	45.978436
"1413557"	112.274970666667	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H+2Na"	46.985712
"1444935"	336.851946	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H+HCOOH"	47.012746
"229895"	317.86144	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+3H2O+2H"	56.04448
"1523680"	350.90399	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+IsoProp+H"	61.06479
"423489"	320.815388	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+Na+K"	61.952376
"785213"	465.734988	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+Na+K"	61.952376
"1680814"	175.895788	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Na+K"	61.952376
"267081"	643.694168	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+ACN+Na"	64.015768
"1238944"	353.854968	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+ACN+Na"	64.015768
"1724917"	353.878493	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+NH4+HCOOH"	64.039293
"1190268"	119.602284666667	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+3Na"	68.967654
"1661619"	358.833888	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Na+HCOOH"	68.994688
"162286"	656.59744	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+2K-H"	76.91904
"606220"	946.43664	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+2K-H"	76.91904
"1094014"	366.75824	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2K-H"	76.91904
"149739"	328.802358	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"2M+2K"	77.926316
"594764"	473.721958	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"3M+2K"	77.926316
"1081099"	183.882758	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2K"	77.926316
"1113461"	368.772792	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2K+H"	78.933592
"1349967"	368.860407	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+DMSO+H"	79.021207
"1017038"	372.899576	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2ACN+H"	83.060376
"1537714"	373.893208	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+IsoProp+Na+H"	84.054008
"1004407"	186.953426	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+2ACN+2H"	84.067652
"1601706"	374.807828	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+K+HCOOH"	84.968628
"1429302"	404.839338	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+H+CF3COOH"	115.000138
"1155703"	207.466701	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+3ACN+2H"	125.094202
"1706348"	421.865885	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+NH4+CF3COOH"	132.026685
"1643096"	426.82128	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+Na+CF3COOH"	136.98208
"1582027"	442.79522	"C17258"	"Calcium sulfate hemihydrate"	"(CaSO4)2H2O"	"289.8392"	"M+K+CF3COOH"	152.95602
"812399"	339.0559	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M"	0
"981559"	320.03751	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-H2O-H"	-19.01839
"71987"	225.029990666667	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M-3H"	-3.021828
"511550"	338.048624	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M-3H"	-3.021828
"883887"	112.011357333333	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-3H"	-3.021828
"6840"	338.048624	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M-2H"	-2.014552
"444213"	507.576574	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M-2H"	-2.014552
"824202"	168.520674	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-2H"	-2.014552
"82006"	677.104524	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M-H"	-1.007276
"528130"	1016.160424	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M-H"	-1.007276
"905934"	338.048624	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-H"	-1.007276
"55934"	694.131071	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M-2H+NH4"	16.019271
"499869"	1033.186971	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M-2H+NH4"	16.019271
"874392"	355.075171	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-2H+NH4"	16.019271
"39013"	699.086466	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M-2H+Na"	20.974666
"474198"	1038.142366	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M-2H+Na"	20.974666
"854551"	360.030566	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-2H+Na"	20.974666
"1623354"	360.030566	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Na-2H"	20.974666
"107902"	356.036963	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M-H+Cl"	33.962126
"539807"	525.564913	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M-H+Cl"	33.962126
"935509"	186.509013	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-H+Cl"	33.962126
"274065"	713.081202	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+Cl"	34.969402
"667579"	1052.137102	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+Cl"	34.969402
"1276703"	374.025302	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Cl"	34.969402
"23634"	715.060406	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M-2H+K"	36.948606
"464287"	1054.116306	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M-2H+K"	36.948606
"844276"	376.004506	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-2H+K"	36.948606
"1566673"	376.004506	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+K-2H"	36.948606
"953468"	384.054094	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-H+HCOOH"	44.998194
"374964"	723.110001	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+HCOOH-H"	44.998201
"357391"	737.125651	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+Hac-H"	59.013851
"1502212"	398.069751	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Hac-H"	59.013851
"966475"	406.036051	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-H+NaCOOH"	66.980151
"117571"	374.025302	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+2Cl"	69.938804
"558226"	543.553252	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+2Cl"	69.938804
"1036546"	204.497352	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2Cl"	69.938804
"1250986"	417.974785	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Br"	78.918885
"1314528"	420.030772	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Cl+HCOOH"	80.974872
"1332391"	442.012729	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Cl+NaCOOH"	102.956829
"922720"	452.041486	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M-H+CF3COOH"	112.985586
"1296512"	488.018164	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Cl+CF3COOH"	148.962264
"1368477"	304.043224	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H-2H2O"	-35.012676
"1384514"	322.0532	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H-H2O"	-17.0027
"286024"	679.119076	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+H"	1.007276
"677711"	1018.174976	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+H"	1.007276
"1355521"	340.063176	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H"	1.007276
"128045"	340.063176	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+2H"	2.014552
"573075"	509.591126	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+2H"	2.014552
"1041510"	170.535226	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2H"	2.014552
"211961"	227.044542666667	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+3H"	3.021828
"648605"	340.063176	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+3H"	3.021828
"1167094"	114.025909333333	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+3H"	3.021828
"427816"	696.145623	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+NH4"	18.033823
"791363"	1035.201523	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+NH4"	18.033823
"1686236"	357.089723	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+NH4"	18.033823
"332329"	348.5764495	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+H+NH4"	19.041099
"726576"	518.1043995	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+H+NH4"	19.041099
"1478573"	179.0484995	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H+NH4"	19.041099
"396889"	701.101018	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+Na"	22.989218
"757886"	1040.156918	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+Na"	22.989218
"1604038"	362.045118	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Na"	22.989218
"316022"	351.054147	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+H+Na"	23.996494
"712816"	520.582097	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+H+Na"	23.996494
"1465544"	181.526197	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H+Na"	23.996494
"1058787"	121.353223333333	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2H+Na"	25.00377
"1263747"	372.089386	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+CH3OH+H"	33.033486
"386700"	717.074958	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+K"	38.963158
"747696"	1056.130858	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+K"	38.963158
"1551570"	378.019058	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+K"	38.963158
"310572"	359.041117	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+H+K"	39.970434
"704815"	528.569067	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+H+K"	39.970434
"1456445"	189.513167	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H+K"	39.970434
"249424"	720.145626	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+ACN+H"	42.033826
"1221767"	381.089726	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+ACN+H"	42.033826
"1208447"	191.048501	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+ACN+2H"	43.041102
"194504"	723.08296	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+2Na-H"	44.97116
"632254"	1062.13886	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+2Na-H"	44.97116
"1137948"	384.02706	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2Na-H"	44.97116
"181968"	362.045118	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+2Na"	45.978436
"623717"	531.573068	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+2Na"	45.978436
"1128317"	192.517168	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2Na"	45.978436
"1408561"	128.680537333333	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H+2Na"	46.985712
"1443957"	386.068646	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H+HCOOH"	47.012746
"234384"	367.07814	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+3H2O+2H"	56.04448
"1520624"	400.12069	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+IsoProp+H"	61.06479
"418122"	370.032088	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+Na+K"	61.952376
"784583"	539.560038	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+Na+K"	61.952376
"1676541"	200.504138	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Na+K"	61.952376
"264154"	742.127568	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+ACN+Na"	64.015768
"1238684"	403.071668	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+ACN+Na"	64.015768
"1726117"	403.095193	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+NH4+HCOOH"	64.039293
"1190377"	136.007851333333	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+3Na"	68.967654
"1663916"	408.050588	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Na+HCOOH"	68.994688
"170413"	755.03084	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+2K-H"	76.91904
"608152"	1094.08674	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+2K-H"	76.91904
"1093029"	415.97494	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2K-H"	76.91904
"153126"	378.019058	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"2M+2K"	77.926316
"591957"	547.547008	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"3M+2K"	77.926316
"1080473"	208.491108	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2K"	77.926316
"1110773"	417.989492	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2K+H"	78.933592
"1348614"	418.077107	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+DMSO+H"	79.021207
"1017144"	422.116276	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2ACN+H"	83.060376
"1530165"	423.109908	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+IsoProp+Na+H"	84.054008
"995519"	211.561776	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+2ACN+2H"	84.067652
"1587591"	424.024528	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+K+HCOOH"	84.968628
"1418968"	454.056038	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+H+CF3COOH"	115.000138
"1155819"	232.075051	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+3ACN+2H"	125.094202
"1698080"	471.082585	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+NH4+CF3COOH"	132.026685
"1637744"	476.03798	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+Na+CF3COOH"	136.98208
"1582145"	492.01192	"C17267"	"S-Sulfanylglutathione;Glutathione hydrodisulfide"	"C10H17N3O6S2"	"339.0559"	"M+K+CF3COOH"	152.95602
"812509"	148.0524	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M"	0
"979482"	129.03401	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-H2O-H"	-19.01839
"65537"	97.694324	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M-3H"	-3.021828
"503277"	147.045124	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M-3H"	-3.021828
"880351"	48.343524	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-3H"	-3.021828
"2578"	147.045124	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M-2H"	-2.014552
"445418"	221.071324	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M-2H"	-2.014552
"825407"	73.018924	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-2H"	-2.014552
"88681"	295.097524	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M-H"	-1.007276
"526055"	443.149924	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M-H"	-1.007276
"903858"	147.045124	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-H"	-1.007276
"52398"	312.124071	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M-2H+NH4"	16.019271
"493418"	460.176471	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M-2H+NH4"	16.019271
"870128"	164.071671	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-2H+NH4"	16.019271
"35476"	317.079466	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M-2H+Na"	20.974666
"475036"	465.131866	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M-2H+Na"	20.974666
"852838"	169.027066	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-2H+Na"	20.974666
"1618637"	169.027066	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Na-2H"	20.974666
"94888"	165.033463	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M-H+Cl"	33.962126
"534571"	239.059663	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M-H+Cl"	33.962126
"930517"	91.007263	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-H+Cl"	33.962126
"267614"	331.074202	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+Cl"	34.969402
"665506"	479.126602	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+Cl"	34.969402
"1275353"	183.021802	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Cl"	34.969402
"18276"	333.053406	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M-2H+K"	36.948606
"461117"	481.105806	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M-2H+K"	36.948606
"836733"	185.001006	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-2H+K"	36.948606
"1565690"	185.001006	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+K-2H"	36.948606
"952482"	193.050594	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-H+HCOOH"	44.998194
"371791"	341.103001	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+HCOOH-H"	44.998201
"352394"	355.118651	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+Hac-H"	59.013851
"1499039"	207.066251	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Hac-H"	59.013851
"962205"	215.032551	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-H+NaCOOH"	66.980151
"119871"	183.021802	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+2Cl"	69.938804
"555056"	257.048002	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+2Cl"	69.938804
"1034792"	108.995602	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2Cl"	69.938804
"1246721"	226.971285	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Br"	78.918885
"1313544"	229.027272	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Cl+HCOOH"	80.974872
"1327760"	251.009229	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Cl+NaCOOH"	102.956829
"925016"	261.037986	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M-H+CF3COOH"	112.985586
"1296623"	297.014664	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Cl+CF3COOH"	148.962264
"1371141"	113.039724	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H-2H2O"	-35.012676
"1387908"	131.0497	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H-H2O"	-17.0027
"288322"	297.112076	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+H"	1.007276
"677217"	445.164476	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+H"	1.007276
"1352106"	149.059676	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H"	1.007276
"127425"	149.059676	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+2H"	2.014552
"569174"	223.085876	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+2H"	2.014552
"1041984"	75.033476	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2H"	2.014552
"210978"	99.708876	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+3H"	3.021828
"646893"	149.059676	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+3H"	3.021828
"1166840"	50.358076	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+3H"	3.021828
"427563"	314.138623	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+NH4"	18.033823
"787463"	462.191023	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+NH4"	18.033823
"1683432"	166.086223	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+NH4"	18.033823
"331716"	157.5729495	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+H+NH4"	19.041099
"724139"	231.5991495	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+H+NH4"	19.041099
"1479413"	83.5467495	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H+NH4"	19.041099
"395909"	319.094018	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+Na"	22.989218
"755079"	467.146418	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+Na"	22.989218
"1604272"	171.041618	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Na"	22.989218
"316133"	160.050647	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+H+Na"	23.996494
"708795"	234.076847	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+H+Na"	23.996494
"1462617"	86.024447	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H+Na"	23.996494
"1052862"	57.68539	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2H+Na"	25.00377
"1257905"	181.085886	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+CH3OH+H"	33.033486
"379152"	335.067958	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+K"	38.963158
"741241"	483.120358	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+K"	38.963158
"1544752"	187.015558	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+K"	38.963158
"309218"	168.037617	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+H+K"	39.970434
"704925"	242.063817	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+H+K"	39.970434
"1455462"	94.011417	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H+K"	39.970434
"248439"	338.138626	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+ACN+H"	42.033826
"1220783"	190.086226	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+ACN+H"	42.033826
"1206855"	95.546751	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+ACN+2H"	43.041102
"193530"	341.07596	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+2Na-H"	44.97116
"632364"	489.12836	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+2Na-H"	44.97116
"1137694"	193.02356	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2Na-H"	44.97116
"176974"	171.041618	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+2Na"	45.978436
"622736"	245.067818	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+2Na"	45.978436
"1122961"	97.015418	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2Na"	45.978436
"1406486"	65.012704	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H+2Na"	46.985712
"1436415"	195.065146	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H+HCOOH"	47.012746
"228295"	176.07464	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+3H2O+2H"	56.04448
"1514170"	209.11719	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+IsoProp+H"	61.06479
"416044"	179.028588	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+Na+K"	61.952376
"777038"	253.054788	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+Na+K"	61.952376
"1675555"	105.002388	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Na+K"	61.952376
"264993"	360.120568	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+ACN+Na"	64.015768
"1233690"	212.068168	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+ACN+Na"	64.015768
"1725498"	212.091693	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+NH4+HCOOH"	64.039293
"1190123"	72.340018	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+3Na"	68.967654
"1662933"	217.047088	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Na+HCOOH"	68.994688
"166876"	373.02384	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+2K-H"	76.91904
"606441"	521.07624	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+2K-H"	76.91904
"1090953"	224.97144	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2K-H"	76.91904
"151052"	187.015558	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"2M+2K"	77.926316
"592799"	261.041758	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"3M+2K"	77.926316
"1079131"	112.989358	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2K"	77.926316
"1111977"	226.985992	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2K+H"	78.933592
"1347634"	227.073607	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+DMSO+H"	79.021207
"1016890"	231.112776	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2ACN+H"	83.060376
"1529182"	232.106408	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+IsoProp+Na+H"	84.054008
"990887"	116.060026	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+2ACN+2H"	84.067652
"1598888"	233.021028	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+K+HCOOH"	84.968628
"1423454"	263.052538	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+H+CF3COOH"	115.000138
"1154836"	136.573301	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+3ACN+2H"	125.094202
"1698191"	280.079085	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+NH4+CF3COOH"	132.026685
"1641137"	285.03448	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+Na+CF3COOH"	136.98208
"1582255"	301.00842	"C17268"	"Pyruvophenone;1-Phenyl-12-propanedione"	"C9H8O2"	"148.0524"	"M+K+CF3COOH"	152.95602
"811526"	493.111	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M"	0
"982871"	474.09261	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-H2O-H"	-19.01839
"66011"	327.733390666667	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M-3H"	-3.021828
"506305"	492.103724	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M-3H"	-3.021828
"887387"	163.363057333333	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-3H"	-3.021828
"3774"	492.103724	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M-2H"	-2.014552
"447716"	738.659224	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M-2H"	-2.014552
"825517"	245.548224	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-2H"	-2.014552
"89884"	985.214724	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M-H"	-1.007276
"527260"	1478.325724	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M-H"	-1.007276
"902875"	492.103724	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-H"	-1.007276
"49593"	1002.241271	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M-2H+NH4"	16.019271
"493528"	1495.352271	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M-2H+NH4"	16.019271
"868415"	509.130271	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-2H+NH4"	16.019271
"33399"	1007.196666	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M-2H+Na"	20.974666
"474053"	1500.307666	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M-2H+Na"	20.974666
"851489"	514.085666	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-2H+Na"	20.974666
"1619926"	514.085666	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Na-2H"	20.974666
"96454"	510.092063	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M-H+Cl"	33.962126
"535649"	756.647563	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M-H+Cl"	33.962126
"928804"	263.536563	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-H+Cl"	33.962126
"269179"	1021.191402	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+Cl"	34.969402
"665616"	1514.302402	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+Cl"	34.969402
"1277283"	528.080402	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Cl"	34.969402
"19477"	1023.170606	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M-2H+K"	36.948606
"457947"	1516.281606	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M-2H+K"	36.948606
"836843"	530.059606	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-2H+K"	36.948606
"1561426"	530.059606	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+K-2H"	36.948606
"958061"	538.109194	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-H+HCOOH"	44.998194
"374088"	1031.220201	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+HCOOH-H"	44.998201
"359795"	1045.235851	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+Hac-H"	59.013851
"1506805"	552.124851	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Hac-H"	59.013851
"966689"	560.091151	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-H+NaCOOH"	66.980151
"119982"	528.080402	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+2Cl"	69.938804
"555167"	774.635902	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+2Cl"	69.938804
"1031624"	281.524902	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2Cl"	69.938804
"1244645"	572.029885	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Br"	78.918885
"1311467"	574.085872	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Cl+HCOOH"	80.974872
"1331150"	596.067829	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Cl+NaCOOH"	102.956829
"923302"	606.096586	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M-H+CF3COOH"	112.985586
"1297822"	642.073264	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Cl+CF3COOH"	148.962264
"1370887"	458.098324	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H-2H2O"	-35.012676
"1386926"	476.1083	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H-H2O"	-17.0027
"289892"	987.229276	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+H"	1.007276
"676273"	1480.340276	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+H"	1.007276
"1353555"	494.118276	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H"	1.007276
"127537"	494.118276	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+2H"	2.014552
"568921"	740.673776	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+2H"	2.014552
"1039179"	247.562776	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2H"	2.014552
"209995"	329.747942666667	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+3H"	3.021828
"648462"	494.118276	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+3H"	3.021828
"1167682"	165.377609333333	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+3H"	3.021828
"429132"	1004.255823	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+NH4"	18.033823
"787574"	1497.366823	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+NH4"	18.033823
"1683177"	511.144823	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+NH4"	18.033823
"330489"	502.6315495	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+H+NH4"	19.041099
"723114"	749.1870495	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+H+NH4"	19.041099
"1478794"	256.0760495	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H+NH4"	19.041099
"394197"	1009.211218	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+Na"	22.989218
"754948"	1502.322218	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+Na"	22.989218
"1606206"	516.100218	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Na"	22.989218
"316243"	505.109247	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+H+Na"	23.996494
"709755"	751.664747	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+H+Na"	23.996494
"1464671"	258.553747	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H+Na"	23.996494
"1052890"	172.704923333333	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2H+Na"	25.00377
"1260689"	526.144486	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+CH3OH+H"	33.033486
"381450"	1025.185158	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+K"	38.963158
"742444"	1518.296158	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+K"	38.963158
"1544498"	532.074158	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+K"	38.963158
"306048"	513.096217	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+H+K"	39.970434
"706008"	759.651717	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+H+K"	39.970434
"1455572"	266.540717	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H+K"	39.970434
"249644"	1028.255826	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+ACN+H"	42.033826
"1223446"	535.144826	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+ACN+H"	42.033826
"1209397"	268.076051	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+ACN+2H"	43.041102
"194733"	1031.19316	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+2Na-H"	44.97116
"631012"	1524.30416	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+2Na-H"	44.97116
"1137075"	538.08216	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2Na-H"	44.97116
"176719"	516.100218	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+2Na"	45.978436
"624672"	762.655718	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+2Na"	45.978436
"1126351"	269.544718	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2Na"	45.978436
"1406962"	180.032237333333	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H+2Na"	46.985712
"1436526"	540.123746	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H+HCOOH"	47.012746
"226220"	521.13324	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+3H2O+2H"	56.04448
"1515375"	554.17579	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+IsoProp+H"	61.06479
"417247"	524.087188	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+Na+K"	61.952376
"778242"	770.642688	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+Na+K"	61.952376
"1674572"	277.531688	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Na+K"	61.952376
"263281"	1050.237768	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+ACN+Na"	64.015768
"1236355"	557.126768	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+ACN+Na"	64.015768
"1722327"	557.150293	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+NH4+HCOOH"	64.039293
"1189504"	187.359551333333	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+3Na"	68.967654
"1661952"	562.105688	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Na+HCOOH"	68.994688
"167354"	1063.14104	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+2K-H"	76.91904
"609468"	1556.25204	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+2K-H"	76.91904
"1095075"	570.03004	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2K-H"	76.91904
"155172"	532.074158	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"2M+2K"	77.926316
"595950"	778.629658	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"3M+2K"	77.926316
"1078877"	285.518658	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2K"	77.926316
"1113182"	572.044592	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2K+H"	78.933592
"1350786"	572.132207	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+DMSO+H"	79.021207
"1019796"	576.171376	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2ACN+H"	83.060376
"1534033"	577.165008	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+IsoProp+Na+H"	84.054008
"992459"	288.589326	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+2ACN+2H"	84.067652
"1597905"	578.079628	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+K+HCOOH"	84.968628
"1423564"	608.111138	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+H+CF3COOH"	115.000138
"1154946"	309.102601	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+3ACN+2H"	125.094202
"1699030"	625.137685	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+NH4+CF3COOH"	132.026685
"1641247"	630.09308	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+Na+CF3COOH"	136.98208
"1582365"	646.06702	"C17271"	"Glucohirsutin;8-Methylsulfinyloctyl glucosinolate"	"C16H31NO10S3"	"493.111"	"M+K+CF3COOH"	152.95602
"811636"	507.1267	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M"	0
"982982"	488.10831	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-H2O-H"	-19.01839
"72318"	337.077190666667	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M-3H"	-3.021828
"505319"	506.119424	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M-3H"	-3.021828
"884217"	168.034957333333	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-3H"	-3.021828
"2791"	506.119424	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M-2H"	-2.014552
"446733"	759.682774	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M-2H"	-2.014552
"825627"	252.556074	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-2H"	-2.014552
"89994"	1013.246124	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M-H"	-1.007276
"524089"	1520.372824	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M-H"	-1.007276
"901891"	506.119424	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-H"	-1.007276
"50432"	1030.272671	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M-2H+NH4"	16.019271
"490721"	1537.399371	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M-2H+NH4"	16.019271
"868523"	523.145971	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-2H+NH4"	16.019271
"33506"	1035.228066	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M-2H+Na"	20.974666
"474159"	1542.354766	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M-2H+Na"	20.974666
"850259"	528.101366	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-2H+Na"	20.974666
"1619792"	528.101366	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Na-2H"	20.974666
"96562"	524.107763	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M-H+Cl"	33.962126
"540135"	777.671113	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M-H+Cl"	33.962126
"935837"	270.544413	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-H+Cl"	33.962126
"272208"	1049.222802	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+Cl"	34.969402
"664626"	1556.349502	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+Cl"	34.969402
"1276663"	542.096102	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Cl"	34.969402
"20314"	1051.202006	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M-2H+K"	36.948606
"458421"	1558.328706	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M-2H+K"	36.948606
"834401"	544.075306	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-2H+K"	36.948606
"1563722"	544.075306	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+K-2H"	36.948606
"956714"	552.124894	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-H+HCOOH"	44.998194
"374929"	1059.251601	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+HCOOH-H"	44.998201
"359544"	1073.267251	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+Hac-H"	59.013851
"1506068"	566.140551	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Hac-H"	59.013851
"967892"	574.106851	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-H+NaCOOH"	66.980151
"115717"	542.096102	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+2Cl"	69.938804
"556370"	795.659452	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+2Cl"	69.938804
"1025173"	288.532752	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2Cl"	69.938804
"1250216"	586.045585	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Br"	78.918885
"1304400"	588.101572	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Cl+HCOOH"	80.974872
"1320069"	610.083529	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Cl+NaCOOH"	102.956829
"916850"	620.112286	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M-H+CF3COOH"	112.985586
"1294652"	656.088964	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Cl+CF3COOH"	148.962264
"1373908"	472.114024	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H-2H2O"	-35.012676
"1384846"	490.124	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H-H2O"	-17.0027
"287814"	1015.260676	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+H"	1.007276
"675886"	1522.387376	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+H"	1.007276
"1351961"	508.133976	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H"	1.007276
"126917"	508.133976	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+2H"	2.014552
"566842"	761.697326	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+2H"	2.014552
"1037540"	254.570626	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2H"	2.014552
"205851"	339.091742666667	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+3H"	3.021828
"647478"	508.133976	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+3H"	3.021828
"1163781"	170.049509333333	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+3H"	3.021828
"427781"	1032.287223	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+NH4"	18.033823
"786341"	1539.413923	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+NH4"	18.033823
"1682922"	525.160523	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+NH4"	18.033823
"332301"	516.6472495	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+H+NH4"	19.041099
"725454"	770.2105995	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+H+NH4"	19.041099
"1479635"	263.0838995	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H+NH4"	19.041099
"392965"	1037.242618	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+Na"	22.989218
"756757"	1544.369318	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+Na"	22.989218
"1604004"	530.115918	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Na"	22.989218
"316352"	519.124947	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+H+Na"	23.996494
"707800"	772.688297	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+H+Na"	23.996494
"1462468"	265.561597	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H+Na"	23.996494
"1054748"	177.376823333333	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2H+Na"	25.00377
"1262986"	540.160186	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+CH3OH+H"	33.033486
"380467"	1053.216558	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+K"	38.963158
"742555"	1560.343258	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+K"	38.963158
"1543514"	546.089858	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+K"	38.963158
"309439"	527.111917	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+H+K"	39.970434
"703688"	780.675267	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+H+K"	39.970434
"1458603"	273.548567	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H+K"	39.970434
"245379"	1056.287226	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+ACN+H"	42.033826
"1216995"	549.160526	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+ACN+H"	42.033826
"1201972"	275.083901	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+ACN+2H"	43.041102
"193751"	1059.22456	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+2Na-H"	44.97116
"630393"	1566.35126	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+2Na-H"	44.97116
"1133537"	552.09786	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2Na-H"	44.97116
"177193"	530.115918	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+2Na"	45.978436
"622957"	783.679268	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+2Na"	45.978436
"1126098"	276.552568	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2Na"	45.978436
"1407436"	184.704137333333	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H+2Na"	46.985712
"1431169"	554.139446	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H+HCOOH"	47.012746
"225237"	535.14894	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+3H2O+2H"	56.04448
"1514393"	568.19149	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+IsoProp+H"	61.06479
"414078"	538.102888	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+Na+K"	61.952376
"778356"	791.666238	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+Na+K"	61.952376
"1673589"	284.539538	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Na+K"	61.952376
"262296"	1078.269168	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+ACN+Na"	64.015768
"1235736"	571.142468	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+ACN+Na"	64.015768
"1721344"	571.165993	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+NH4+HCOOH"	64.039293
"1186699"	192.031451333333	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+3Na"	68.967654
"1660602"	576.121388	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Na+HCOOH"	68.994688
"165278"	1091.17244	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+2K-H"	76.91904
"605567"	1598.29914	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+2K-H"	76.91904
"1098468"	584.04574	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2K-H"	76.91904
"154796"	546.089858	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"2M+2K"	77.926316
"590833"	799.653208	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"3M+2K"	77.926316
"1080081"	292.526508	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2K"	77.926316
"1111834"	586.060292	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2K+H"	78.933592
"1349437"	586.147907	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+DMSO+H"	79.021207
"1018205"	590.187076	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2ACN+H"	83.060376
"1533778"	591.180708	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+IsoProp+Na+H"	84.054008
"996943"	295.597176	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+2ACN+2H"	84.067652
"1592547"	592.095328	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+K+HCOOH"	84.968628
"1422583"	622.126838	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+H+CF3COOH"	115.000138
"1155061"	316.110451	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+3ACN+2H"	125.094202
"1702424"	639.153385	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+NH4+CF3COOH"	132.026685
"1642449"	644.10878	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+Na+CF3COOH"	136.98208
"1582474"	660.08272	"C17272"	"Glucoarabin;9-Methylsulfinylnonyl glucosinolate"	"C17H33NO10S3"	"507.1267"	"M+K+CF3COOH"	152.95602
"811746"	439.0607	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M"	0
"987468"	420.04231	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H2O-H"	-19.01839
"72428"	291.699857333333	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-3H"	-3.021828
"506523"	438.053424	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-3H"	-3.021828
"885419"	145.346290666667	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-3H"	-3.021828
"3995"	438.053424	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H"	-2.014552
"452309"	657.583774	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H"	-2.014552
"827924"	218.523074	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H"	-2.014552
"91200"	877.114124	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-H"	-1.007276
"529667"	1316.174824	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-H"	-1.007276
"902001"	438.053424	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H"	-1.007276
"52000"	894.140671	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H+NH4"	16.019271
"495935"	1333.201371	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H+NH4"	16.019271
"870820"	455.079971	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H+NH4"	16.019271
"33254"	899.096066	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H+Na"	20.974666
"475366"	1338.156766	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H+Na"	20.974666
"852802"	460.035366	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H+Na"	20.974666
"1620878"	460.035366	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na-2H"	20.974666
"97041"	456.041763	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-H+Cl"	33.962126
"539153"	675.572113	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-H+Cl"	33.962126
"939227"	236.511413	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+Cl"	33.962126
"269762"	913.090802	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Cl"	34.969402
"664010"	1352.151502	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+Cl"	34.969402
"1276412"	474.030102	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl"	34.969402
"19333"	915.070006	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H+K"	36.948606
"458167"	1354.130706	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H+K"	36.948606
"834511"	476.009306	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H+K"	36.948606
"1558365"	476.009306	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K-2H"	36.948606
"956823"	484.058894	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+HCOOH"	44.998194
"376495"	923.119601	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+HCOOH-H"	44.998201
"359651"	937.135251	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Hac-H"	59.013851
"1506295"	498.074551	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Hac-H"	59.013851
"966908"	506.040851	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+NaCOOH"	66.980151
"113640"	474.030102	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2Cl"	69.938804
"555387"	693.560452	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2Cl"	69.938804
"1023819"	254.499752	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2Cl"	69.938804
"1247047"	517.979585	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Br"	78.918885
"1304874"	520.035572	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl+HCOOH"	80.974872
"1321527"	542.017529	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl+NaCOOH"	102.956829
"913680"	552.046286	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+CF3COOH"	112.985586
"1294762"	588.022964	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl+CF3COOH"	148.962264
"1376205"	404.048024	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H-2H2O"	-35.012676
"1391516"	422.058	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H-H2O"	-17.0027
"286100"	879.128676	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H"	1.007276
"678523"	1318.189376	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H"	1.007276
"1353777"	440.067976	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H"	1.007276
"128849"	440.067976	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2H"	2.014552
"566343"	659.598326	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2H"	2.014552
"1039033"	220.537626	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2H"	2.014552
"206932"	293.714409333333	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+3H"	3.021828
"645396"	440.067976	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+3H"	3.021828
"1166806"	147.360842666667	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+3H"	3.021828
"428984"	896.155223	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+NH4"	18.033823
"788884"	1335.215923	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+NH4"	18.033823
"1683394"	457.094523	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+NH4"	18.033823
"335690"	448.5812495	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H+NH4"	19.041099
"733583"	668.1115995	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H+NH4"	19.041099
"1479018"	229.0508995	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+NH4"	19.041099
"393804"	901.110618	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Na"	22.989218
"756502"	1340.171318	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+Na"	22.989218
"1608612"	462.049918	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na"	22.989218
"319742"	451.058947	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H+Na"	23.996494
"709368"	670.589297	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H+Na"	23.996494
"1463068"	231.528597	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+Na"	23.996494
"1058137"	154.688156666667	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2H+Na"	25.00377
"1264189"	472.094186	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+CH3OH+H"	33.033486
"381670"	917.084558	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+K"	38.963158
"743759"	1356.145258	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+K"	38.963158
"1546904"	478.023858	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K"	38.963158
"311737"	459.045917	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H+K"	39.970434
"704893"	678.576267	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H+K"	39.970434
"1459439"	239.515567	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+K"	39.970434
"248769"	920.155226	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+ACN+H"	42.033826
"1219291"	481.094526	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+ACN+H"	42.033826
"1204268"	241.050901	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+ACN+2H"	43.041102
"192035"	923.09256	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2Na-H"	44.97116
"635605"	1362.15326	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2Na-H"	44.97116
"1138020"	484.03186	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2Na-H"	44.97116
"177303"	462.049918	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2Na"	45.978436
"625252"	681.580268	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2Na"	45.978436
"1122195"	242.519568	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2Na"	45.978436
"1402076"	162.015470666667	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+2Na"	46.985712
"1438931"	486.073446	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+HCOOH"	47.012746
"228628"	467.08294	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+3H2O+2H"	56.04448
"1515597"	500.12549	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+IsoProp+H"	61.06479
"413095"	470.036888	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Na+K"	61.952376
"777008"	689.567238	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+Na+K"	61.952376
"1669693"	250.506538	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na+K"	61.952376
"258036"	942.137168	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+ACN+Na"	64.015768
"1236209"	503.076468	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+ACN+Na"	64.015768
"1722182"	503.099993	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+NH4+HCOOH"	64.039293
"1189359"	169.342784666667	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+3Na"	68.967654
"1659982"	508.055388	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na+HCOOH"	68.994688
"165752"	955.04044	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2K-H"	76.91904
"604584"	1394.10114	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2K-H"	76.91904
"1096388"	515.97974	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2K-H"	76.91904
"154298"	478.023858	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2K"	77.926316
"592765"	697.554208	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2K"	77.926316
"1080921"	258.493508	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2K"	77.926316
"1113402"	517.994292	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2K+H"	78.933592
"1350278"	518.081907	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+DMSO+H"	79.021207
"1019656"	522.121076	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2ACN+H"	83.060376
"1537533"	523.114708	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+IsoProp+Na+H"	84.054008
"993773"	261.564176	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2ACN+2H"	84.067652
"1595937"	524.029328	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K+HCOOH"	84.968628
"1421600"	554.060838	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+CF3COOH"	115.000138
"1155171"	282.077451	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+3ACN+2H"	125.094202
"1701441"	571.087385	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+NH4+CF3COOH"	132.026685
"1641466"	576.04278	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na+CF3COOH"	136.98208
"1582584"	592.01672	"C17273"	"Glucoaubrietin;4-Methoxybenzyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K+CF3COOH"	152.95602
"812951"	439.0607	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M"	0
"983206"	420.04231	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H2O-H"	-19.01839
"74727"	291.699857333333	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-3H"	-3.021828
"503475"	438.053424	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-3H"	-3.021828
"881156"	145.346290666667	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-3H"	-3.021828
"1187"	438.053424	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H"	-2.014552
"441481"	657.583774	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H"	-2.014552
"832368"	218.523074	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H"	-2.014552
"92403"	877.114124	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-H"	-1.007276
"530870"	1316.174824	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-H"	-1.007276
"901018"	438.053424	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H"	-1.007276
"54299"	894.140671	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H+NH4"	16.019271
"497139"	1333.201371	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H+NH4"	16.019271
"868744"	455.079971	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H+NH4"	16.019271
"33364"	899.096066	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H+Na"	20.974666
"472924"	1338.156766	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H+Na"	20.974666
"849632"	460.035366	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H+Na"	20.974666
"1620988"	460.035366	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na-2H"	20.974666
"98611"	456.041763	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-H+Cl"	33.962126
"534891"	675.572113	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-H+Cl"	33.962126
"930592"	236.511413	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+Cl"	33.962126
"271331"	913.090802	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Cl"	34.969402
"665942"	1352.151502	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+Cl"	34.969402
"1277252"	474.030102	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl"	34.969402
"19079"	915.070006	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M-2H+K"	36.948606
"458279"	1354.130706	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M-2H+K"	36.948606
"837174"	476.009306	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-2H+K"	36.948606
"1562849"	476.009306	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K-2H"	36.948606
"956204"	484.058894	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+HCOOH"	44.998194
"376605"	923.119601	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+HCOOH-H"	44.998201
"360125"	937.135251	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Hac-H"	59.013851
"1507133"	498.074551	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Hac-H"	59.013851
"969205"	506.040851	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+NaCOOH"	66.980151
"113749"	474.030102	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2Cl"	69.938804
"556590"	693.560452	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2Cl"	69.938804
"1023201"	254.499752	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2Cl"	69.938804
"1248250"	517.979585	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Br"	78.918885
"1304269"	520.035572	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl+HCOOH"	80.974872
"1320663"	542.017529	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl+NaCOOH"	102.956829
"913788"	552.046286	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M-H+CF3COOH"	112.985586
"1295967"	588.022964	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Cl+CF3COOH"	148.962264
"1371575"	404.048024	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H-2H2O"	-35.012676
"1389439"	422.058	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H-H2O"	-17.0027
"285117"	879.128676	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H"	1.007276
"679363"	1318.189376	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H"	1.007276
"1355708"	440.067976	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H"	1.007276
"125917"	440.067976	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2H"	2.014552
"566813"	659.598326	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2H"	2.014552
"1037316"	220.537626	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2H"	2.014552
"205341"	293.714409333333	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+3H"	3.021828
"644535"	440.067976	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+3H"	3.021828
"1163267"	147.360842666667	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+3H"	3.021828
"424298"	896.155223	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+NH4"	18.033823
"785874"	1335.215923	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+NH4"	18.033823
"1685332"	457.094523	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+NH4"	18.033823
"332524"	448.5812495	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H+NH4"	19.041099
"724214"	668.1115995	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H+NH4"	19.041099
"1477665"	229.0508995	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+NH4"	19.041099
"392838"	901.110618	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Na"	22.989218
"754407"	1340.171318	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+Na"	22.989218
"1602759"	462.049918	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na"	22.989218
"314745"	451.058947	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H+Na"	23.996494
"708748"	670.589297	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H+Na"	23.996494
"1461511"	231.528597	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+Na"	23.996494
"1056424"	154.688156666667	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2H+Na"	25.00377
"1261018"	472.094186	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+CH3OH+H"	33.033486
"380687"	917.084558	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+K"	38.963158
"744963"	1356.145258	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+K"	38.963158
"1542641"	478.023858	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K"	38.963158
"311845"	459.045917	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+H+K"	39.970434
"703176"	678.576267	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+H+K"	39.970434
"1453716"	239.515567	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+K"	39.970434
"241223"	920.155226	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+ACN+H"	42.033826
"1216121"	481.094526	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+ACN+H"	42.033826
"1202190"	241.050901	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+ACN+2H"	43.041102
"195065"	923.09256	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2Na-H"	44.97116
"632076"	1362.15326	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2Na-H"	44.97116
"1143603"	484.03186	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2Na-H"	44.97116
"183616"	462.049918	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2Na"	45.978436
"623177"	681.580268	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2Na"	45.978436
"1119756"	242.519568	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2Na"	45.978436
"1404739"	162.015470666667	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+2Na"	46.985712
"1436856"	486.073446	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+HCOOH"	47.012746
"227644"	467.08294	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+3H2O+2H"	56.04448
"1509510"	500.12549	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+IsoProp+H"	61.06479
"413208"	470.036888	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+Na+K"	61.952376
"775661"	689.567238	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+Na+K"	61.952376
"1674908"	250.506538	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na+K"	61.952376
"258147"	942.137168	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+ACN+Na"	64.015768
"1230856"	503.076468	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+ACN+Na"	64.015768
"1718647"	503.099993	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+NH4+HCOOH"	64.039293
"1186189"	169.342784666667	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+3Na"	68.967654
"1658269"	508.055388	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na+HCOOH"	68.994688
"166223"	955.04044	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2K-H"	76.91904
"607974"	1394.10114	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2K-H"	76.91904
"1094311"	515.97974	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2K-H"	76.91904
"156111"	478.023858	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"2M+2K"	77.926316
"594697"	697.554208	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"3M+2K"	77.926316
"1079938"	258.493508	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2K"	77.926316
"1112419"	517.994292	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2K+H"	78.933592
"1348074"	518.081907	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+DMSO+H"	79.021207
"1012591"	522.121076	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2ACN+H"	83.060376
"1528529"	523.114708	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+IsoProp+Na+H"	84.054008
"994976"	261.564176	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+2ACN+2H"	84.067652
"1590584"	524.029328	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K+HCOOH"	84.968628
"1421712"	554.060838	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+H+CF3COOH"	115.000138
"1155282"	282.077451	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+3ACN+2H"	125.094202
"1700459"	571.087385	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+NH4+CF3COOH"	132.026685
"1641577"	576.04278	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+Na+CF3COOH"	136.98208
"1582695"	592.01672	"C17274"	"Glucobarbarin;2(R)-Hydroxy-2-phenylethyl glucosinolate"	"C15H21NO10S2"	"439.0607"	"M+K+CF3COOH"	152.95602
"813059"	377.045	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M"	0
"985502"	358.02661	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-H2O-H"	-19.01839
"76296"	250.356057333333	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M-3H"	-3.021828
"507837"	376.037724	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M-3H"	-3.021828
"881264"	124.674390666667	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-3H"	-3.021828
"932"	376.037724	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M-2H"	-2.014552
"443778"	564.560224	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M-2H"	-2.014552
"827049"	187.515224	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-2H"	-2.014552
"89233"	753.082724	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M-H"	-1.007276
"527701"	1130.127724	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M-H"	-1.007276
"897848"	376.037724	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-H"	-1.007276
"53316"	770.109271	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M-2H+NH4"	16.019271
"489229"	1147.154271	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M-2H+NH4"	16.019271
"873957"	393.064271	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-2H+NH4"	16.019271
"33108"	775.064666	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M-2H+Na"	20.974666
"474856"	1152.109666	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M-2H+Na"	20.974666
"849377"	398.019666	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-2H+Na"	20.974666
"1620733"	398.019666	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Na-2H"	20.974666
"95441"	394.026063	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M-H+Cl"	33.962126
"535363"	582.548563	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M-H+Cl"	33.962126
"936168"	205.503563	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-H+Cl"	33.962126
"271445"	789.059402	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+Cl"	34.969402
"670426"	1166.104402	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+Cl"	34.969402
"1276270"	412.014402	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Cl"	34.969402
"18828"	791.038606	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M-2H+K"	36.948606
"458389"	1168.083606	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M-2H+K"	36.948606
"837284"	413.993606	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-2H+K"	36.948606
"1562959"	413.993606	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+K-2H"	36.948606
"956314"	422.043194	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-H+HCOOH"	44.998194
"374533"	799.088201	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+HCOOH-H"	44.998201
"357319"	813.103851	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+Hac-H"	59.013851
"1507246"	436.058851	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Hac-H"	59.013851
"969316"	444.025151	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-H+NaCOOH"	66.980151
"117135"	412.014402	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+2Cl"	69.938804
"554508"	600.536902	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+2Cl"	69.938804
"1023675"	223.491902	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2Cl"	69.938804
"1248360"	455.963885	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Br"	78.918885
"1307529"	458.019872	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Cl+HCOOH"	80.974872
"1323933"	480.001829	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Cl+NaCOOH"	102.956829
"914626"	490.030586	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M-H+CF3COOH"	112.985586
"1292794"	526.007264	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Cl+CF3COOH"	148.962264
"1369862"	342.032324	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H-2H2O"	-35.012676
"1387363"	360.0423	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H-H2O"	-17.0027
"290328"	755.097276	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+H"	1.007276
"678014"	1132.142276	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+H"	1.007276
"1351927"	378.052276	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H"	1.007276
"126025"	378.052276	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+2H"	2.014552
"566317"	566.574776	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+2H"	2.014552
"1038159"	189.529776	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2H"	2.014552
"204600"	252.370609333333	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+3H"	3.021828
"645618"	378.052276	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+3H"	3.021828
"1163376"	126.688942666667	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+3H"	3.021828
"425923"	772.123823	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+NH4"	18.033823
"786023"	1149.168823	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+NH4"	18.033823
"1683255"	395.078823	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+NH4"	18.033823
"332996"	386.5655495	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+H+NH4"	19.041099
"725053"	575.0880495	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+H+NH4"	19.041099
"1477655"	198.0430495	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H+NH4"	19.041099
"392943"	777.079218	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+Na"	22.989218
"754269"	1154.124218	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+Na"	22.989218
"1602749"	400.034218	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Na"	22.989218
"314395"	389.043247	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+H+Na"	23.996494
"707095"	577.565747	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+H+Na"	23.996494
"1461361"	200.520747	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H+Na"	23.996494
"1059450"	134.016256666667	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2H+Na"	25.00377
"1263314"	410.078486	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+CH3OH+H"	33.033486
"380797"	793.053158	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+K"	38.963158
"748354"	1170.098158	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+K"	38.963158
"1547126"	416.008158	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+K"	38.963158
"307583"	397.030217	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+H+K"	39.970434
"706081"	585.552717	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+H+K"	39.970434
"1454919"	208.507717	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H+K"	39.970434
"241335"	796.123826	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+ACN+H"	42.033826
"1216231"	419.078826	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+ACN+H"	42.033826
"1202300"	210.043051	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+ACN+2H"	43.041102
"196268"	799.06116	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+2Na-H"	44.97116
"632915"	1176.10616	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+2Na-H"	44.97116
"1141526"	422.01616	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2Na-H"	44.97116
"183362"	400.034218	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+2Na"	45.978436
"623285"	588.556718	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+2Na"	45.978436
"1118045"	211.511718	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2Na"	45.978436
"1401569"	141.343570666667	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H+2Na"	46.985712
"1435872"	424.057746	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H+HCOOH"	47.012746
"223380"	405.06724	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+3H2O+2H"	56.04448
"1510350"	438.10979	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+IsoProp+H"	61.06479
"411132"	408.021188	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+Na+K"	61.952376
"772491"	596.543688	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+Na+K"	61.952376
"1670280"	219.498688	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Na+K"	61.952376
"255341"	818.105768	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+ACN+Na"	64.015768
"1233148"	441.060768	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+ACN+Na"	64.015768
"1718757"	441.084293	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+NH4+HCOOH"	64.039293
"1187027"	148.670884666667	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+3Na"	68.967654
"1658380"	446.039688	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Na+HCOOH"	68.994688
"166334"	831.00904	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+2K-H"	76.91904
"604803"	1208.05404	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+2K-H"	76.91904
"1096244"	453.96404	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2K-H"	76.91904
"153788"	416.008158	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"2M+2K"	77.926316
"596390"	604.530658	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"3M+2K"	77.926316
"1078955"	227.485658	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2K"	77.926316
"1109976"	455.978592	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2K+H"	78.933592
"1347452"	456.066207	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+DMSO+H"	79.021207
"1011607"	460.105376	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2ACN+H"	83.060376
"1524629"	461.099008	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+IsoProp+Na+H"	84.054008
"993993"	230.556326	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+2ACN+2H"	84.067652
"1590694"	462.013628	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+K+HCOOH"	84.968628
"1425103"	492.045138	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+H+CF3COOH"	115.000138
"1159766"	251.069601	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+3ACN+2H"	125.094202
"1707130"	509.071685	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+NH4+CF3COOH"	132.026685
"1644967"	514.02708	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+Na+CF3COOH"	136.98208
"1582805"	530.00102	"C17275"	"Glucosisymbrin;1-Methyl-2-hydroxyetyl glucosinolate"	"C10H19NO10S2"	"377.045"	"M+K+CF3COOH"	152.95602
"813169"	286.2297	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M"	0
"983426"	267.21131	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"76042"	189.812524	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"504667"	285.222424	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"893401"	94.402624	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"2137"	285.222424	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"444981"	428.337274	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"827159"	142.107574	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"89344"	571.452124	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"527811"	857.681824	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"900145"	285.222424	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"51603"	588.478671	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"489339"	874.708371	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"870058"	302.248971	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"35405"	593.434066	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"472046"	879.663766	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"849486"	307.204366	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1619016"	307.204366	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"95906"	303.210763	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"536568"	446.325613	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"932999"	160.095913	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"270097"	607.428802	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"663610"	893.658502	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1276016"	321.199102	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"17236"	609.408006	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"458499"	895.637706	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"836301"	323.178306	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1563070"	323.178306	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"957683"	331.227894	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"374276"	617.457601	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"359616"	631.473251	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1507354"	345.243551	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"968333"	353.209851	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"118339"	321.199102	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"554618"	464.313952	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1027795"	178.084252	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1248470"	365.148585	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1306546"	367.204572	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1323315"	389.186529	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"913643"	399.215286	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1293269"	435.191964	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1371067"	251.217024	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1386379"	269.227	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"287158"	573.466676	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"677396"	859.696376	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1354105"	287.236976	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H"	1.007276
"126503"	287.236976	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"567277"	430.351826	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1038875"	144.122126	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"205682"	191.827076	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"646093"	287.236976	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1163850"	96.417176	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"425425"	590.493223	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"786541"	876.722923	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1682635"	304.263523	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"330548"	295.7502495	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"724434"	438.8650995	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1477354"	152.6353995	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"392912"	595.448618	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"754397"	881.678318	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1603060"	309.218918	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"314633"	298.227947	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"707342"	441.342797	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1461809"	155.113097	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1055915"	103.74449	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1259416"	319.263186	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"377624"	611.422558	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"742997"	897.652258	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1547236"	325.192858	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+K"	38.963158
"307693"	306.214917	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"704125"	449.329767	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1451748"	163.100067	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"240352"	614.493226	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1218528"	328.263526	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1201317"	164.635401	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"192005"	617.43056	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"629744"	903.66026	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1140543"	331.20086	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"180556"	309.218918	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"623395"	452.333768	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1119248"	166.104068	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1402772"	111.071804	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1435982"	333.242446	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"221426"	314.25194	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1511553"	347.29449	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"412335"	317.205888	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"772237"	460.320738	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1674035"	174.091038	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"252171"	636.475168	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1233259"	350.245468	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1717774"	350.268993	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1186409"	118.399118	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1656304"	355.224388	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"163165"	649.37844	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"603821"	935.60814	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1092708"	363.14874	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"153898"	325.192858	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"595282"	468.307708	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1080157"	182.078008	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1108994"	365.163292	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1349509"	365.250907	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1012811"	369.290076	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1527657"	370.283708	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"994103"	185.148676	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1589711"	371.198328	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1425213"	401.229838	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1157688"	205.661951	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1707240"	418.256385	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1645077"	423.21178	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1582915"	439.18572	"C17276"	"Retinol-(cellular-retinol-binding-protein)"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"813279"	204.1878	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M"	0
"982443"	185.16941	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"73965"	135.117924	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"503601"	203.180524	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880630"	67.055324	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"1154"	203.180524	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"453847"	305.274424	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"831165"	101.086624	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"88359"	407.368324	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"522453"	611.556124	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"900254"	203.180524	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"52442"	424.394871	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"488716"	628.582671	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"865789"	220.207071	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"32716"	429.350266	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"472391"	633.538066	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"849960"	225.162466	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1618680"	225.162466	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97845"	221.168863	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536307"	323.262763	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"928003"	119.074963	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269475"	443.345002	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"660929"	647.532802	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1283056"	239.157202	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"19051"	445.324206	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"461892"	649.512006	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"845893"	241.136406	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1560997"	241.136406	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"951074"	249.185994	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"369284"	453.373801	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"350979"	467.389451	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1498719"	263.201651	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967354"	271.167951	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"112984"	239.157202	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"555827"	341.251102	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1025718"	137.063302	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1246395"	283.106685	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1305563"	285.162672	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1323062"	307.144629	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"913390"	317.173386	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1293015"	353.150064	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372272"	169.175124	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1387582"	187.1851	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"288361"	409.382876	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"681879"	613.570676	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1353242"	205.195076	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128925"	205.195076	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"567147"	307.288976	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039841"	103.101176	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"205310"	137.132476	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"645839"	205.195076	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164328"	69.069876	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"425292"	426.409423	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"786774"	630.597223	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1683110"	222.221623	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"335041"	213.7083495	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"725638"	315.8022495	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1477634"	111.6144495	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"394491"	431.364818	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"754792"	635.552618	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604187"	227.177018	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"314629"	216.186047	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708106"	318.279947	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461519"	114.092147	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1055297"	76.39719	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1259891"	237.221286	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379560"	447.338758	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"745295"	651.526558	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1550627"	243.150958	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+K"	38.963158
"307803"	224.173017	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"703505"	326.266917	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1449673"	122.079117	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"242649"	450.409426	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1214265"	246.221626	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1203615"	123.614451	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"201962"	453.34676	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"634960"	657.53456	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1142842"	249.15896	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"185769"	227.177018	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"622412"	329.270918	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1119358"	125.083118	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1403975"	83.724504	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1439375"	251.200546	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230162"	232.21004	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1509842"	265.25259	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"414633"	235.163988	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"775627"	337.257888	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1671958"	133.070088	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260665"	472.391368	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1231184"	268.203568	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1715701"	268.227093	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1186522"	91.051818	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652040"	273.182488	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"165462"	485.29464	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"600650"	689.48244	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095006"	281.10684	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154010"	243.150958	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"596365"	345.244858	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1075890"	141.057058	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1105821"	283.121392	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347672"	283.209007	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1008547"	287.248176	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1529952"	288.241808	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"994213"	144.127726	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1597475"	289.156428	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1420949"	319.187938	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156705"	164.641001	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1701882"	336.214485	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641907"	341.16988	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1583025"	357.14382	"C17277"	"()-Valencene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"813389"	360.1492	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M"	0
"989607"	341.13081	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-H2O-H"	-19.01839
"75165"	239.092190666667	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M-3H"	-3.021828
"504158"	359.141924	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M-3H"	-3.021828
"881593"	119.042457333333	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-3H"	-3.021828
"897"	359.141924	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M-2H"	-2.014552
"455605"	539.216524	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M-2H"	-2.014552
"832364"	179.067324	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-2H"	-2.014552
"90656"	719.291124	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M-H"	-1.007276
"521101"	1079.440324	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M-H"	-1.007276
"899633"	359.141924	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-H"	-1.007276
"51455"	736.317671	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M-2H+NH4"	16.019271
"488460"	1096.466871	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M-2H+NH4"	16.019271
"866628"	376.168471	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-2H+NH4"	16.019271
"33187"	741.273066	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M-2H+Na"	20.974666
"472018"	1101.422266	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M-2H+Na"	20.974666
"849702"	381.123866	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-2H+Na"	20.974666
"1620694"	381.123866	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Na-2H"	20.974666
"97588"	377.130263	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M-H+Cl"	33.962126
"538969"	557.204863	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M-H+Cl"	33.962126
"929936"	197.055663	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-H+Cl"	33.962126
"271044"	755.267802	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+Cl"	34.969402
"662009"	1115.417002	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+Cl"	34.969402
"1276604"	395.118602	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Cl"	34.969402
"19161"	757.247006	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M-2H+K"	36.948606
"462002"	1117.396206	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M-2H+K"	36.948606
"844180"	397.097806	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-2H+K"	36.948606
"1558920"	397.097806	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+K-2H"	36.948606
"952277"	405.147394	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-H+HCOOH"	44.998194
"371582"	765.296601	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+HCOOH-H"	44.998201
"349996"	779.312251	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+Hac-H"	59.013851
"1502109"	419.163051	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Hac-H"	59.013851
"965277"	427.129351	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-H+NaCOOH"	66.980151
"117467"	395.118602	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+2Cl"	69.938804
"558124"	575.193202	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+2Cl"	69.938804
"1026921"	215.044002	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2Cl"	69.938804
"1245411"	439.068085	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Br"	78.918885
"1307859"	441.124072	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Cl+HCOOH"	80.974872
"1323901"	463.106029	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Cl+NaCOOH"	102.956829
"916781"	473.134786	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M-H+CF3COOH"	112.985586
"1294218"	509.111464	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Cl+CF3COOH"	148.962264
"1371654"	325.136524	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H-2H2O"	-35.012676
"1388786"	343.1465	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H-H2O"	-17.0027
"290659"	721.305676	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+H"	1.007276
"683083"	1081.454876	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+H"	1.007276
"1351773"	361.156476	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H"	1.007276
"127578"	361.156476	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+2H"	2.014552
"567136"	541.231076	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+2H"	2.014552
"1040315"	181.081876	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2H"	2.014552
"205056"	241.106742666667	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+3H"	3.021828
"646678"	361.156476	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+3H"	3.021828
"1164802"	121.057009333333	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+3H"	3.021828
"425888"	738.332223	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+NH4"	18.033823
"787005"	1098.481423	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+NH4"	18.033823
"1682859"	378.183023	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+NH4"	18.033823
"332234"	369.6697495	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+H+NH4"	19.041099
"726477"	549.7443495	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+H+NH4"	19.041099
"1479562"	189.5951495	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H+NH4"	19.041099
"394600"	743.287618	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+Na"	22.989218
"754861"	1103.436818	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+Na"	22.989218
"1602793"	383.138418	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Na"	22.989218
"314822"	372.147447	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+H+Na"	23.996494
"707238"	552.222047	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+H+Na"	23.996494
"1461423"	192.072847	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H+Na"	23.996494
"1056863"	128.384323333333	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2H+Na"	25.00377
"1258053"	393.182686	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+CH3OH+H"	33.033486
"377191"	759.261558	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+K"	38.963158
"739935"	1119.410758	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+K"	38.963158
"1545269"	399.112358	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+K"	38.963158
"310099"	380.134417	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+H+K"	39.970434
"704707"	560.209017	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+H+K"	39.970434
"1447594"	200.059817	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H+K"	39.970434
"242760"	762.332226	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+ACN+H"	42.033826
"1216561"	402.183026	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+ACN+H"	42.033826
"1196799"	201.595151	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+ACN+2H"	43.041102
"200979"	765.26956	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+2Na-H"	44.97116
"635070"	1125.41876	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+2Na-H"	44.97116
"1144775"	405.12036	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2Na-H"	44.97116
"185879"	383.138418	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+2Na"	45.978436
"624709"	563.213018	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+2Na"	45.978436
"1118375"	203.063818	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2Na"	45.978436
"1402992"	135.711637333333	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H+2Na"	46.985712
"1440578"	407.161946	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H+HCOOH"	47.012746
"230272"	388.17144	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+3H2O+2H"	56.04448
"1513962"	421.21399	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+IsoProp+H"	61.06479
"414741"	391.125388	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+Na+K"	61.952376
"776831"	571.199988	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+Na+K"	61.952376
"1673163"	211.050788	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Na+K"	61.952376
"258590"	784.314168	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+ACN+Na"	64.015768
"1231298"	424.164968	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+ACN+Na"	64.015768
"1716905"	424.188493	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+NH4+HCOOH"	64.039293
"1184445"	143.038951333333	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+3Na"	68.967654
"1653244"	429.143888	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Na+HCOOH"	68.994688
"164480"	797.21744	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+2K-H"	76.91904
"604041"	1157.36664	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+2K-H"	76.91904
"1091835"	437.06824	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2K-H"	76.91904
"148652"	399.112358	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"2M+2K"	77.926316
"597082"	579.186958	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"3M+2K"	77.926316
"1079281"	219.037758	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2K"	77.926316
"1108116"	439.082792	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2K+H"	78.933592
"1343409"	439.170407	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+DMSO+H"	79.021207
"1010844"	443.209576	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2ACN+H"	83.060376
"1528969"	444.203208	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+IsoProp+Na+H"	84.054008
"999790"	222.108426	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+2ACN+2H"	84.067652
"1596492"	445.117828	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+K+HCOOH"	84.968628
"1424339"	475.149338	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+H+CF3COOH"	115.000138
"1156815"	242.621701	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+3ACN+2H"	125.094202
"1701992"	492.175885	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+NH4+CF3COOH"	132.026685
"1642017"	497.13128	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+Na+CF3COOH"	136.98208
"1583135"	513.10522	"C17302"	"AL-294;Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate"	"C21H25ClO3"	"360.1492"	"M+K+CF3COOH"	152.95602
"816416"	355.1242	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M"	0
"989720"	336.10581	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-H2O-H"	-19.01839
"73087"	235.742190666667	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M-3H"	-3.021828
"504269"	354.116924	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M-3H"	-3.021828
"883162"	117.367457333333	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-3H"	-3.021828
"3559"	354.116924	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M-2H"	-2.014552
"452970"	531.679024	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M-2H"	-2.014552
"832031"	176.554824	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-2H"	-2.014552
"90763"	709.241124	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M-H"	-1.007276
"520120"	1064.365324	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M-H"	-1.007276
"899744"	354.116924	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-H"	-1.007276
"52660"	726.267671	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M-2H+NH4"	16.019271
"491491"	1081.391871	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M-2H+NH4"	16.019271
"866011"	371.143471	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-2H+NH4"	16.019271
"33910"	731.223066	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M-2H+Na"	20.974666
"472983"	1086.347266	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M-2H+Na"	20.974666
"850180"	376.098866	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-2H+Na"	20.974666
"1621169"	376.098866	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Na-2H"	20.974666
"97699"	372.105263	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M-H+Cl"	33.962126
"539445"	549.667363	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M-H+Cl"	33.962126
"929316"	194.543163	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-H+Cl"	33.962126
"271884"	745.217802	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+Cl"	34.969402
"662850"	1100.342002	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+Cl"	34.969402
"1278901"	390.093602	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Cl"	34.969402
"24738"	747.197006	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M-2H+K"	36.948606
"462112"	1102.321206	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M-2H+K"	36.948606
"841010"	392.072806	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-2H+K"	36.948606
"1561581"	392.072806	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+K-2H"	36.948606
"954574"	400.122394	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-H+HCOOH"	44.998194
"373879"	755.246601	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+HCOOH-H"	44.998201
"355573"	769.262251	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+Hac-H"	59.013851
"1504406"	414.138051	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Hac-H"	59.013851
"965387"	422.104351	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-H+NaCOOH"	66.980151
"117577"	390.093602	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+2Cl"	69.938804
"561514"	567.655702	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+2Cl"	69.938804
"1029217"	212.531502	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2Cl"	69.938804
"1248073"	434.043085	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Br"	78.918885
"1308699"	436.099072	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Cl+HCOOH"	80.974872
"1325103"	458.081029	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Cl+NaCOOH"	102.956829
"917621"	468.109786	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M-H+CF3COOH"	112.985586
"1294328"	504.086464	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Cl+CF3COOH"	148.962264
"1372494"	320.111524	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H-2H2O"	-35.012676
"1391082"	338.1215	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H-H2O"	-17.0027
"290770"	711.255676	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+H"	1.007276
"679548"	1066.379876	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+H"	1.007276
"1352003"	356.131476	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H"	1.007276
"129148"	356.131476	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+2H"	2.014552
"567977"	533.693576	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+2H"	2.014552
"1041155"	178.569376	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2H"	2.014552
"207601"	237.756742666667	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+3H"	3.021828
"649345"	356.131476	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+3H"	3.021828
"1168563"	119.382009333333	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+3H"	3.021828
"426731"	728.282223	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+NH4"	18.033823
"787725"	1083.406423	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+NH4"	18.033823
"1683698"	373.158023	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+NH4"	18.033823
"331980"	364.6447495	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+H+NH4"	19.041099
"726951"	542.2068495	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+H+NH4"	19.041099
"1477971"	187.0826495	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H+NH4"	19.041099
"394345"	733.237618	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+Na"	22.989218
"755458"	1088.361818	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+Na"	22.989218
"1605989"	378.113418	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Na"	22.989218
"314928"	367.122447	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+H+Na"	23.996494
"707715"	544.684547	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+H+Na"	23.996494
"1461733"	189.560347	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H+Na"	23.996494
"1058066"	126.709323333333	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2H+Na"	25.00377
"1258528"	388.157686	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+CH3OH+H"	33.033486
"378075"	749.211558	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+K"	38.963158
"739191"	1104.335758	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+K"	38.963158
"1553033"	394.087358	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+K"	38.963158
"310209"	375.109417	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+H+K"	39.970434
"705546"	552.671517	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+H+K"	39.970434
"1448798"	197.547317	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H+K"	39.970434
"239589"	752.282226	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+ACN+H"	42.033826
"1214849"	397.158026	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+ACN+H"	42.033826
"1199461"	199.082651	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+ACN+2H"	43.041102
"203276"	755.21956	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+2Na-H"	44.97116
"633722"	1110.34376	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+2Na-H"	44.97116
"1144886"	400.09536	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2Na-H"	44.97116
"185260"	378.113418	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+2Na"	45.978436
"623726"	555.675518	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+2Na"	45.978436
"1120672"	200.551318	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2Na"	45.978436
"1404196"	134.036637333333	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H+2Na"	46.985712
"1442874"	402.136946	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H+HCOOH"	47.012746
"231476"	383.14644	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+3H2O+2H"	56.04448
"1516260"	416.18899	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+IsoProp+H"	61.06479
"417039"	386.100388	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+Na+K"	61.952376
"772933"	563.662488	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+Na+K"	61.952376
"1669994"	208.538288	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Na+K"	61.952376
"259794"	774.264168	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+ACN+Na"	64.015768
"1232502"	419.139968	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+ACN+Na"	64.015768
"1716287"	419.163493	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+NH4+HCOOH"	64.039293
"1191116"	141.363951333333	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+3Na"	68.967654
"1655542"	424.118888	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Na+HCOOH"	68.994688
"164591"	787.16744	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+2K-H"	76.91904
"604153"	1142.29164	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+2K-H"	76.91904
"1096320"	432.04324	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2K-H"	76.91904
"155324"	394.087358	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"2M+2K"	77.926316
"596878"	571.649458	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"3M+2K"	77.926316
"1080489"	216.525258	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2K"	77.926316
"1110414"	434.057792	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2K+H"	78.933592
"1345707"	434.145407	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+DMSO+H"	79.021207
"1013142"	438.184576	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2ACN+H"	83.060376
"1532359"	439.178208	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+IsoProp+Na+H"	84.054008
"997714"	219.595926	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+2ACN+2H"	84.067652
"1594415"	440.092828	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+K+HCOOH"	84.968628
"1421169"	470.124338	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+H+CF3COOH"	115.000138
"1151458"	240.109201	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+3ACN+2H"	125.094202
"1699915"	487.150885	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+NH4+CF3COOH"	132.026685
"1642127"	492.10628	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+Na+CF3COOH"	136.98208
"1583245"	508.08022	"C17303"	"AL-321;5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-24-dione"	"C20H21NO3S"	"355.1242"	"M+K+CF3COOH"	152.95602
"812516"	389.1951	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M"	0
"989453"	370.17671	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-H2O-H"	-19.01839
"76845"	258.456124	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M-3H"	-3.021828
"504500"	388.187824	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M-3H"	-3.021828
"881814"	128.724424	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-3H"	-3.021828
"1484"	388.187824	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M-2H"	-2.014552
"446518"	582.785374	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M-2H"	-2.014552
"826507"	193.590274	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-2H"	-2.014552
"90873"	777.382924	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M-H"	-1.007276
"528251"	1166.578024	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M-H"	-1.007276
"899492"	388.187824	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-H"	-1.007276
"48515"	794.409471	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M-2H+NH4"	16.019271
"489411"	1183.604571	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M-2H+NH4"	16.019271
"866850"	405.214371	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-2H+NH4"	16.019271
"34020"	799.364866	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M-2H+Na"	20.974666
"474679"	1188.559966	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M-2H+Na"	20.974666
"851023"	410.169766	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-2H+Na"	20.974666
"1621280"	410.169766	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Na-2H"	20.974666
"96353"	406.176163	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M-H+Cl"	33.962126
"535549"	600.773713	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M-H+Cl"	33.962126
"928213"	211.578613	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-H+Cl"	33.962126
"270902"	813.359602	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+Cl"	34.969402
"662229"	1202.554702	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+Cl"	34.969402
"1275726"	424.164502	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Cl"	34.969402
"19377"	815.338806	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M-2H+K"	36.948606
"462222"	1204.533906	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M-2H+K"	36.948606
"840023"	426.143706	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-2H+K"	36.948606
"1559504"	426.143706	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+K-2H"	36.948606
"947387"	434.193294	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-H+HCOOH"	44.998194
"371799"	823.388401	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+HCOOH-H"	44.998201
"355683"	837.404051	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+Hac-H"	59.013851
"1500143"	448.208951	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Hac-H"	59.013851
"962581"	456.175251	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-H+NaCOOH"	66.980151
"116958"	424.164502	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+2Cl"	69.938804
"555064"	618.762052	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+2Cl"	69.938804
"1025318"	229.566952	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2Cl"	69.938804
"1249276"	468.113985	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Br"	78.918885
"1310266"	470.169972	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Cl+HCOOH"	80.974872
"1325580"	492.151929	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Cl+NaCOOH"	102.956829
"917731"	502.180686	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M-H+CF3COOH"	112.985586
"1292251"	538.157364	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Cl+CF3COOH"	148.962264
"1373697"	354.182424	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H-2H2O"	-35.012676
"1390099"	372.1924	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H-H2O"	-17.0027
"290879"	779.397476	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+H"	1.007276
"679295"	1168.592576	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+H"	1.007276
"1352116"	390.202376	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H"	1.007276
"126702"	390.202376	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+2H"	2.014552
"568454"	584.799926	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+2H"	2.014552
"1037410"	195.604826	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2H"	2.014552
"206002"	260.470676	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+3H"	3.021828
"647262"	390.202376	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+3H"	3.021828
"1166118"	130.738976	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+3H"	3.021828
"425503"	796.424023	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+NH4"	18.033823
"786132"	1185.619123	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+NH4"	18.033823
"1681735"	407.228923	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+NH4"	18.033823
"333184"	398.7156495	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+H+NH4"	19.041099
"724514"	593.3131995	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+H+NH4"	19.041099
"1482705"	204.1180995	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H+NH4"	19.041099
"394826"	801.379418	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+Na"	22.989218
"757276"	1190.574518	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+Na"	22.989218
"1604401"	412.184318	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Na"	22.989218
"315774"	401.193347	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+H+Na"	23.996494
"707952"	595.790897	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+H+Na"	23.996494
"1462135"	206.595797	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H+Na"	23.996494
"1057083"	138.06629	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2H+Na"	25.00377
"1257584"	422.228586	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+CH3OH+H"	33.033486
"377375"	817.353358	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+K"	38.963158
"739912"	1206.548458	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+K"	38.963158
"1542208"	428.158258	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+K"	38.963158
"307039"	409.180317	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+H+K"	39.970434
"701645"	603.777867	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+H+K"	39.970434
"1448909"	214.582767	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H+K"	39.970434
"240795"	820.424026	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+ACN+H"	42.033826
"1214595"	431.228926	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+ACN+H"	42.033826
"1199935"	216.118101	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+ACN+2H"	43.041102
"202293"	823.36136	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+2Na-H"	44.97116
"633104"	1212.55646	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+2Na-H"	44.97116
"1145361"	434.16626	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2Na-H"	44.97116
"184277"	412.184318	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+2Na"	45.978436
"624929"	606.781868	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+2Na"	45.978436
"1129532"	217.586768	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2Na"	45.978436
"1410868"	145.393604	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H+2Na"	46.985712
"1442985"	436.207846	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H+HCOOH"	47.012746
"232680"	417.21734	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+3H2O+2H"	56.04448
"1513091"	450.25989	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+IsoProp+H"	61.06479
"421524"	420.171288	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+Na+K"	61.952376
"778148"	614.768838	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+Na+K"	61.952376
"1674480"	225.573738	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Na+K"	61.952376
"256626"	842.405968	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+ACN+Na"	64.015768
"1231522"	453.210868	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+ACN+Na"	64.015768
"1717124"	453.234393	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+NH4+HCOOH"	64.039293
"1184666"	152.720918	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+3Na"	68.967654
"1656380"	458.189788	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Na+HCOOH"	68.994688
"165797"	855.30924	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+2K-H"	76.91904
"603170"	1244.50434	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+2K-H"	76.91904
"1099557"	466.11414	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2K-H"	76.91904
"156941"	428.158258	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"2M+2K"	77.926316
"596908"	622.755808	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"3M+2K"	77.926316
"1081570"	233.560708	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2K"	77.926316
"1112711"	468.128692	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2K+H"	78.933592
"1342535"	468.216307	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+DMSO+H"	79.021207
"1008147"	472.255476	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2ACN+H"	83.060376
"1531376"	473.249108	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+IsoProp+Na+H"	84.054008
"997824"	236.631376	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+2ACN+2H"	84.067652
"1591608"	474.163728	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+K+HCOOH"	84.968628
"1419092"	504.195238	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+H+CF3COOH"	115.000138
"1151568"	257.144651	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+3ACN+2H"	125.094202
"1700025"	521.221785	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+NH4+CF3COOH"	132.026685
"1642237"	526.17718	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+Na+CF3COOH"	136.98208
"1583355"	542.15112	"C17309"	"Cilazaprilat;(1S9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4678910-hexahydro-1H-pyridazino12-a12diazepine-1-carboxylic acid"	"C20H27N3O5"	"389.1951"	"M+K+CF3COOH"	152.95602
"812630"	531.0655	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M"	0
"975229"	512.04711	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-H2O-H"	-19.01839
"70033"	353.036390666667	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M-3H"	-3.021828
"507408"	530.058224	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M-3H"	-3.021828
"883023"	176.014557333333	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-3H"	-3.021828
"8162"	530.058224	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M-2H"	-2.014552
"447722"	795.590974	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M-2H"	-2.014552
"825524"	264.525474	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-2H"	-2.014552
"89894"	1061.123724	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M-H"	-1.007276
"533223"	1592.189224	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M-H"	-1.007276
"899602"	530.058224	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-H"	-1.007276
"47780"	1078.150271	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M-2H+NH4"	16.019271
"488068"	1609.215771	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M-2H+NH4"	16.019271
"865503"	547.084771	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-2H+NH4"	16.019271
"33766"	1083.105666	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M-2H+Na"	20.974666
"472599"	1614.171166	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M-2H+Na"	20.974666
"849308"	552.040166	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-2H+Na"	20.974666
"1618843"	552.040166	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Na-2H"	20.974666
"94477"	548.046563	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M-H+Cl"	33.962126
"534647"	813.579313	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M-H+Cl"	33.962126
"927306"	282.513813	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-H+Cl"	33.962126
"269557"	1097.100402	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+Cl"	34.969402
"662344"	1628.165902	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+Cl"	34.969402
"1279120"	566.034902	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Cl"	34.969402
"19492"	1099.079606	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M-2H+K"	36.948606
"465613"	1630.145106	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M-2H+K"	36.948606
"839043"	568.014106	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-2H+K"	36.948606
"1563625"	568.014106	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+K-2H"	36.948606
"947497"	576.063694	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-H+HCOOH"	44.998194
"369725"	1107.129201	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+HCOOH-H"	44.998201
"350327"	1121.144851	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+Hac-H"	59.013851
"1499160"	590.079351	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Hac-H"	59.013851
"963788"	598.045651	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-H+NaCOOH"	66.980151
"116708"	566.034902	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+2Cl"	69.938804
"557365"	831.567652	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+2Cl"	69.938804
"1027985"	300.502152	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2Cl"	69.938804
"1242824"	609.984385	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Br"	78.918885
"1309651"	612.040372	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Cl+HCOOH"	80.974872
"1328971"	634.022329	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Cl+NaCOOH"	102.956829
"920030"	644.051086	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M-H+CF3COOH"	112.985586
"1298925"	680.027764	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Cl+CF3COOH"	148.962264
"1377089"	496.052824	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H-2H2O"	-35.012676
"1384744"	514.0628	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H-H2O"	-17.0027
"284430"	1063.138276	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+H"	1.007276
"676606"	1594.203776	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+H"	1.007276
"1353565"	532.072776	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H"	1.007276
"127546"	532.072776	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+2H"	2.014552
"567834"	797.605526	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+2H"	2.014552
"1039189"	266.540026	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2H"	2.014552
"204775"	355.050942666667	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+3H"	3.021828
"648475"	532.072776	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+3H"	3.021828
"1164049"	178.029109333333	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+3H"	3.021828
"424894"	1080.164823	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+NH4"	18.033823
"787224"	1611.230323	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+NH4"	18.033823
"1682220"	549.099323	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+NH4"	18.033823
"332564"	540.5860495	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+H+NH4"	19.041099
"726808"	806.1187995	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+H+NH4"	19.041099
"1479897"	275.0532995	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H+NH4"	19.041099
"393838"	1085.120218	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+Na"	22.989218
"757023"	1616.185718	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+Na"	22.989218
"1602861"	554.054718	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Na"	22.989218
"314460"	543.063747	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+H+Na"	23.996494
"709036"	808.596497	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+H+Na"	23.996494
"1463709"	277.530997	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H+Na"	23.996494
"1055371"	185.356423333333	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2H+Na"	25.00377
"1260329"	564.098986	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+CH3OH+H"	33.033486
"378177"	1101.094158	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+K"	38.963158
"744642"	1632.159658	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+K"	38.963158
"1541591"	570.028658	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+K"	38.963158
"300224"	551.050717	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+H+K"	39.970434
"695204"	816.583467	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+H+K"	39.970434
"1453398"	285.517967	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H+K"	39.970434
"243096"	1104.164826	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+ACN+H"	42.033826
"1220180"	573.099326	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+ACN+H"	42.033826
"1207353"	287.053301	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+ACN+2H"	43.041102
"202650"	1107.10216	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+2Na-H"	44.97116
"640148"	1638.16766	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+2Na-H"	44.97116
"1142192"	576.03666	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2Na-H"	44.97116
"180015"	554.054718	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+2Na"	45.978436
"620668"	819.587468	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+2Na"	45.978436
"1124176"	288.521968	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2Na"	45.978436
"1410980"	192.683737333333	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H+2Na"	46.985712
"1435443"	578.078246	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H+HCOOH"	47.012746
"223680"	559.08774	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+3H2O+2H"	56.04448
"1511379"	592.13029	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+IsoProp+H"	61.06479
"418356"	562.041688	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+Na+K"	61.952376
"780445"	827.574438	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+Na+K"	61.952376
"1667053"	296.508938	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Na+K"	61.952376
"260015"	1126.146768	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+ACN+Na"	64.015768
"1231631"	595.081268	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+ACN+Na"	64.015768
"1720517"	595.104793	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+NH4+HCOOH"	64.039293
"1184777"	200.011051333333	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+3Na"	68.967654
"1655761"	600.060188	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Na+HCOOH"	68.994688
"165907"	1139.05004	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+2K-H"	76.91904
"609837"	1670.11554	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+2K-H"	76.91904
"1092165"	607.98454	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2K-H"	76.91904
"152261"	570.028658	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"2M+2K"	77.926316
"594982"	835.561408	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"3M+2K"	77.926316
"1081681"	304.495908	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2K"	77.926316
"1107354"	609.999092	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2K+H"	78.933592
"1338635"	610.086707	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+DMSO+H"	79.021207
"1006191"	614.125876	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2ACN+H"	83.060376
"1527117"	615.119508	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+IsoProp+Na+H"	84.054008
"995753"	307.566576	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+2ACN+2H"	84.067652
"1590261"	616.034128	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+K+HCOOH"	84.968628
"1416285"	646.065638	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+H+CF3COOH"	115.000138
"1153866"	328.079851	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+3ACN+2H"	125.094202
"1707791"	663.092185	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+NH4+CF3COOH"	132.026685
"1646724"	668.04758	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+Na+CF3COOH"	136.98208
"1576906"	684.02152	"C17326"	"CDP-4-dehydro-36-dideoxy-D-glucose epimer"	"C15H23N3O14P2"	"531.0655"	"M+K+CF3COOH"	152.95602
"812740"	533.0812	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M"	0
"977526"	514.06281	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-H2O-H"	-19.01839
"63037"	354.380190666667	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M-3H"	-3.021828
"505695"	532.073924	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M-3H"	-3.021828
"881674"	176.686457333333	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-3H"	-3.021828
"8272"	532.073924	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M-2H"	-2.014552
"447832"	798.614524	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M-2H"	-2.014552
"825634"	265.533324	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-2H"	-2.014552
"91098"	1065.155124	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M-H"	-1.007276
"530536"	1598.236324	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M-H"	-1.007276
"896427"	532.073924	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-H"	-1.007276
"47889"	1082.181671	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+NH4"	16.019271
"488179"	1615.262871	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+NH4"	16.019271
"867434"	549.100471	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-2H+NH4"	16.019271
"32782"	1087.137066	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+Na"	20.974666
"473075"	1620.218266	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+Na"	20.974666
"850147"	554.055866	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-2H+Na"	20.974666
"1620411"	554.055866	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Na-2H"	20.974666
"95481"	550.062263	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M-H+Cl"	33.962126
"534677"	816.602863	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M-H+Cl"	33.962126
"927949"	283.521663	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-H+Cl"	33.962126
"269303"	1101.131802	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+Cl"	34.969402
"662454"	1634.213002	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+Cl"	34.969402
"1279230"	568.050602	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Cl"	34.969402
"19602"	1103.111006	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M-2H+K"	36.948606
"464630"	1636.192206	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M-2H+K"	36.948606
"838424"	570.029806	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-2H+K"	36.948606
"1561549"	570.029806	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+K-2H"	36.948606
"945420"	578.079394	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-H+HCOOH"	44.998194
"365824"	1111.160601	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+HCOOH-H"	44.998201
"348615"	1125.176251	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+Hac-H"	59.013851
"1497084"	592.095051	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Hac-H"	59.013851
"962075"	600.061351	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-H+NaCOOH"	66.980151
"116818"	568.050602	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+2Cl"	69.938804
"558569"	834.591202	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+2Cl"	69.938804
"1026637"	301.510002	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2Cl"	69.938804
"1241840"	612.000085	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Br"	78.918885
"1311584"	614.056072	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+HCOOH"	80.974872
"1330175"	636.038029	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+NaCOOH"	102.956829
"923785"	646.066786	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M-H+CF3COOH"	112.985586
"1300858"	682.043464	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Cl+CF3COOH"	148.962264
"1375013"	498.068524	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H-2H2O"	-35.012676
"1384490"	516.0785	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H-H2O"	-17.0027
"283487"	1067.169676	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+H"	1.007276
"676231"	1600.250876	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+H"	1.007276
"1353675"	534.088476	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H"	1.007276
"129480"	534.088476	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+2H"	2.014552
"566488"	800.629076	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+2H"	2.014552
"1040392"	267.547876	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2H"	2.014552
"204882"	356.394742666667	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+3H"	3.021828
"650772"	534.088476	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+3H"	3.021828
"1164159"	178.701009333333	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+3H"	3.021828
"424884"	1084.196223	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+NH4"	18.033823
"787699"	1617.277423	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+NH4"	18.033823
"1681844"	551.115023	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+NH4"	18.033823
"334495"	542.6017495	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+H+NH4"	19.041099
"728011"	809.1423495	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+H+NH4"	19.041099
"1481101"	276.0611495	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H+NH4"	19.041099
"392989"	1089.151618	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+Na"	22.989218
"757133"	1622.232818	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+Na"	22.989218
"1607419"	556.070418	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Na"	22.989218
"316359"	545.079447	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+H+Na"	23.996494
"709875"	811.620047	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+H+Na"	23.996494
"1464791"	278.538847	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H+Na"	23.996494
"1055846"	186.028323333333	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2H+Na"	25.00377
"1261532"	566.114686	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+CH3OH+H"	33.033486
"380110"	1105.125558	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+K"	38.963158
"744752"	1638.206758	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+K"	38.963158
"1544617"	572.044358	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+K"	38.963158
"302156"	553.066417	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+H+K"	39.970434
"695313"	819.607017	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+H+K"	39.970434
"1450228"	286.525817	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H+K"	39.970434
"241020"	1108.196226	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+H"	42.033826
"1219197"	575.115026	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+H"	42.033826
"1206730"	288.061151	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+2H"	43.041102
"202152"	1111.13356	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na-H"	44.97116
"640258"	1644.21476	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na-H"	44.97116
"1141209"	578.05236	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2Na-H"	44.97116
"179032"	556.070418	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+2Na"	45.978436
"619685"	822.611018	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+2Na"	45.978436
"1126471"	289.529818	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2Na"	45.978436
"1403434"	193.355637333333	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H+2Na"	46.985712
"1437740"	580.093946	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H+HCOOH"	47.012746
"226341"	561.10344	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+3H2O+2H"	56.04448
"1511124"	594.14599	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+H"	61.06479
"417373"	564.057388	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+Na+K"	61.952376
"780555"	830.597988	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+Na+K"	61.952376
"1666678"	297.516788	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Na+K"	61.952376
"259032"	1130.178168	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+ACN+Na"	64.015768
"1232105"	597.096968	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+ACN+Na"	64.015768
"1719533"	597.120493	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+HCOOH"	64.039293
"1184158"	200.682951333333	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+3Na"	68.967654
"1656602"	602.075888	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Na+HCOOH"	68.994688
"169297"	1143.08144	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+2K-H"	76.91904
"605574"	1676.16264	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+2K-H"	76.91904
"1090089"	610.00024	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2K-H"	76.91904
"155410"	572.044358	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"2M+2K"	77.926316
"594120"	838.584958	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"3M+2K"	77.926316
"1082640"	305.503758	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2K"	77.926316
"1105277"	612.014792	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2K+H"	78.933592
"1337286"	612.102407	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+DMSO+H"	79.021207
"1008002"	616.141576	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+H"	83.060376
"1530507"	617.135208	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+IsoProp+Na+H"	84.054008
"994771"	308.574426	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+2ACN+2H"	84.067652
"1591464"	618.049828	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+K+HCOOH"	84.968628
"1416030"	648.081338	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+H+CF3COOH"	115.000138
"1153976"	329.087701	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+3ACN+2H"	125.094202
"1707901"	665.107885	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+NH4+CF3COOH"	132.026685
"1647927"	670.06328	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+Na+CF3COOH"	136.98208
"1577016"	686.03722	"C17327"	"CDP-ascarylose"	"C15H25N3O14P2"	"533.0812"	"M+K+CF3COOH"	152.95602
"812850"	548.0445	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M"	0
"986385"	529.02611	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-H2O-H"	-19.01839
"72440"	364.355724	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M-3H"	-3.021828
"505441"	547.037224	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M-3H"	-3.021828
"880609"	181.674224	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-3H"	-3.021828
"7288"	547.037224	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M-2H"	-2.014552
"443567"	821.059474	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M-2H"	-2.014552
"825744"	273.014974	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-2H"	-2.014552
"91817"	1095.081724	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M-H"	-1.007276
"532590"	1643.126224	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M-H"	-1.007276
"902009"	547.037224	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-H"	-1.007276
"54196"	1112.108271	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M-2H+NH4"	16.019271
"494849"	1660.152771	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M-2H+NH4"	16.019271
"868278"	564.063771	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-2H+NH4"	16.019271
"36177"	1117.063666	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M-2H+Na"	20.974666
"477926"	1665.108166	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M-2H+Na"	20.974666
"852448"	569.019166	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-2H+Na"	20.974666
"1620887"	569.019166	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Na-2H"	20.974666
"97415"	565.025563	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M-H+Cl"	33.962126
"540256"	839.047813	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M-H+Cl"	33.962126
"933773"	291.003313	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-H+Cl"	33.962126
"269049"	1131.058402	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+Cl"	34.969402
"665845"	1679.102902	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+Cl"	34.969402
"1278248"	583.013902	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Cl"	34.969402
"24086"	1133.037606	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M-2H+K"	36.948606
"466929"	1681.082106	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M-2H+K"	36.948606
"844732"	584.993106	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-2H+K"	36.948606
"1564939"	584.993106	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+K-2H"	36.948606
"951727"	593.042694	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-H+HCOOH"	44.998194
"366664"	1141.087201	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+HCOOH-H"	44.998201
"349453"	1155.102851	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+Hac-H"	59.013851
"1499382"	607.058351	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Hac-H"	59.013851
"963644"	615.024651	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-H+NaCOOH"	66.980151
"116929"	583.013902	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+2Cl"	69.938804
"555762"	857.036152	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+2Cl"	69.938804
"1027112"	308.991652	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2Cl"	69.938804
"1249244"	626.963385	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Br"	78.918885
"1306587"	629.019372	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Cl+HCOOH"	80.974872
"1323722"	651.001329	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Cl+NaCOOH"	102.956829
"918063"	661.030086	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M-H+CF3COOH"	112.985586
"1295865"	697.006764	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Cl+CF3COOH"	148.962264
"1371113"	513.031824	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H-2H2O"	-35.012676
"1383508"	531.0418	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H-H2O"	-17.0027
"284286"	1097.096276	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+H"	1.007276
"677071"	1645.140776	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+H"	1.007276
"1352812"	549.051776	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H"	1.007276
"127403"	549.051776	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+2H"	2.014552
"566597"	823.074026	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+2H"	2.014552
"1040502"	275.029526	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2H"	2.014552
"205237"	366.370276	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+3H"	3.021828
"651975"	549.051776	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+3H"	3.021828
"1163905"	183.688776	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+3H"	3.021828
"424460"	1114.122823	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+NH4"	18.033823
"786472"	1662.167323	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+NH4"	18.033823
"1681954"	566.078323	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+NH4"	18.033823
"332419"	557.5650495	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+H+NH4"	19.041099
"728121"	831.5872995	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+H+NH4"	19.041099
"1480847"	283.5427995	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H+NH4"	19.041099
"396245"	1119.078218	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+Na"	22.989218
"758336"	1667.122718	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+Na"	22.989218
"1608622"	571.033718	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Na"	22.989218
"319749"	560.042747	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+H+Na"	23.996494
"709621"	834.064997	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+H+Na"	23.996494
"1464901"	286.020497	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H+Na"	23.996494
"1055959"	191.01609	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2H+Na"	25.00377
"1262011"	581.077986	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+CH3OH+H"	33.033486
"381680"	1135.052158	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+K"	38.963158
"744862"	1683.096658	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+K"	38.963158
"1544362"	587.007658	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+K"	38.963158
"302994"	568.029717	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+H+K"	39.970434
"695787"	842.051967	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+H+K"	39.970434
"1450334"	294.007467	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H+K"	39.970434
"248787"	1138.122826	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+ACN+H"	42.033826
"1216028"	590.078326	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+ACN+H"	42.033826
"1206839"	295.542801	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+ACN+2H"	43.041102
"197157"	1141.06016	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+2Na-H"	44.97116
"639999"	1689.10466	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+2Na-H"	44.97116
"1141320"	593.01566	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2Na-H"	44.97116
"180235"	571.033718	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+2Na"	45.978436
"614692"	845.055968	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+2Na"	45.978436
"1121114"	297.011468	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2Na"	45.978436
"1406826"	198.343404	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H+2Na"	46.985712
"1434571"	595.057246	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H+HCOOH"	47.012746
"222443"	576.06674	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+3H2O+2H"	56.04448
"1517796"	609.10929	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+IsoProp+H"	61.06479
"415295"	579.020688	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+Na+K"	61.952376
"776292"	853.042938	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+Na+K"	61.952376
"1671893"	304.998438	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Na+K"	61.952376
"254770"	1160.104768	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+ACN+Na"	64.015768
"1229299"	612.060268	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+ACN+Na"	64.015768
"1716362"	612.083793	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+NH4+HCOOH"	64.039293
"1183905"	205.670718	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+3Na"	68.967654
"1653795"	617.039188	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Na+HCOOH"	68.994688
"165032"	1173.00804	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+2K-H"	76.91904
"605684"	1721.05254	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+2K-H"	76.91904
"1092383"	624.96354	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2K-H"	76.91904
"152482"	587.007658	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"2M+2K"	77.926316
"590949"	861.029908	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"3M+2K"	77.926316
"1081779"	312.985408	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2K"	77.926316
"1102471"	626.978092	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2K+H"	78.933592
"1338856"	627.065707	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+DMSO+H"	79.021207
"1008112"	631.104876	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2ACN+H"	83.060376
"1529524"	632.098508	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+IsoProp+Na+H"	84.054008
"995979"	316.056076	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+2ACN+2H"	84.067652
"1589751"	633.013128	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+K+HCOOH"	84.968628
"1416140"	663.044638	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+H+CF3COOH"	115.000138
"1155179"	336.569351	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+3ACN+2H"	125.094202
"1708011"	680.071185	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+NH4+CF3COOH"	132.026685
"1645850"	685.02658	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+Na+CF3COOH"	136.98208
"1583687"	701.00052	"C17328"	"UDP-4-keto-rhamnose"	"C15H22N2O16P2"	"548.0445"	"M+K+CF3COOH"	152.95602
"810773"	416.329	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M"	0
"984308"	397.31061	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"70363"	276.545390666667	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"509925"	415.321724	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"885538"	137.769057333333	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"3021"	415.321724	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"441001"	623.486224	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"822571"	207.157224	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"93022"	831.650724	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"532585"	1247.979724	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"902119"	415.321724	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"54307"	848.677271	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"498241"	1265.006271	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"872762"	432.348271	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"40663"	853.632666	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"478038"	1269.961666	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"855838"	437.303666	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1632663"	437.303666	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"106274"	433.310063	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"545835"	641.474563	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"933883"	225.145563	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"276815"	867.627402	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"669237"	1283.956402	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1280546"	451.298402	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"26384"	869.606606	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"470318"	1285.935606	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"843754"	453.277606	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1569425"	453.277606	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"952932"	461.327194	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"370056"	877.656201	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"351753"	891.671851	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1500951"	475.342851	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"965941"	483.309151	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"114851"	451.298402	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"556236"	659.462902	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1026857"	243.133902	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1245341"	495.247885	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1307794"	497.303872	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1321645"	519.285829	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"915622"	529.314586	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1293424"	565.291264	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1370492"	381.316324	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1386167"	399.3263	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"284759"	833.665276	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"676248"	1249.994276	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1352923"	417.336276	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H"	1.007276
"128971"	417.336276	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"572544"	625.500776	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1037938"	209.171776	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"210338"	278.559942666667	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"646620"	417.336276	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1170211"	139.783609333333	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"428019"	850.691823	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"791202"	1267.020823	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1683521"	434.362823	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"334715"	425.8495495	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"726043"	634.0140495	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1482050"	217.6850495	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"394289"	855.647218	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"757352"	1271.976218	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1606543"	439.318218	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"317673"	428.327247	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"712282"	636.491747	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1468290"	220.162747	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1057163"	147.110923333333	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1261028"	449.362486	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"378509"	871.621158	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"743878"	1287.950158	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1543013"	455.292158	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K"	38.963158
"302738"	436.314217	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"695894"	644.478717	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1446797"	228.149717	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"249990"	874.691826	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1217231"	458.362826	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1208771"	229.685051	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"203100"	877.62916	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"640113"	1293.95816	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1141431"	461.30016	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"177066"	439.318218	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"614558"	647.482718	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1120130"	231.153718	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1402562"	154.438237333333	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1433951"	463.341746	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"225469"	444.35124	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1515719"	477.39379	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"415405"	447.305188	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"775309"	655.469688	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1667632"	239.140688	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"253057"	896.673768	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1227222"	480.344768	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1716108"	480.368293	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1181461"	161.765551333333	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1651718"	485.323688	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"161132"	909.57704	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"601787"	1325.90604	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1086296"	493.24804	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"144934"	455.292158	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"582793"	663.456658	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1074474"	247.127658	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1101729"	495.262592	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1337874"	495.350207	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1008226"	499.389376	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1529634"	500.383008	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"998276"	250.198326	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1589499"	501.297628	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1419534"	531.329138	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1157477"	270.711601	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1708122"	548.355685	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1642678"	553.31108	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1573956"	569.28502	"C17331"	"7alpha24-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"804322"	416.329	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M"	0
"984418"	397.31061	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"70472"	276.545390666667	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"505661"	415.321724	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"882368"	137.769057333333	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"337"	415.321724	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"440261"	623.486224	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"822681"	207.157224	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"93615"	831.650724	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"533541"	1247.979724	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"910612"	415.321724	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"59883"	848.677271	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"500537"	1265.006271	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"872872"	432.348271	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"40773"	853.632666	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"481428"	1269.961666	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"855948"	437.303666	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1633138"	437.303666	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"104198"	433.310063	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"545945"	641.474563	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"933993"	225.145563	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"276925"	867.627402	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"669347"	1283.956402	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1279563"	451.298402	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"26494"	869.606606	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"469700"	1285.935606	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"846050"	453.277606	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1569537"	453.277606	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"953043"	461.327194	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"371259"	877.656201	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"356236"	891.671851	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1502883"	475.342851	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"966051"	483.309151	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"115689"	451.298402	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"556710"	659.462902	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1024780"	243.133902	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1248369"	495.247885	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1307540"	497.303872	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1321755"	519.285829	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"918284"	529.314586	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1298274"	565.291264	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1372426"	381.316324	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1385550"	399.3263	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"291797"	833.665276	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"682762"	1249.994276	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1354371"	417.336276	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H"	1.007276
"126891"	417.336276	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"569736"	625.500776	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1042546"	209.171776	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"212638"	278.559942666667	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"654386"	417.336276	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1175789"	139.783609333333	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"429223"	850.691823	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"791313"	1267.020823	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1687641"	434.362823	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"331545"	425.8495495	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"726153"	634.0140495	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1481066"	217.6850495	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"396466"	855.647218	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"760742"	1271.976218	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1606653"	439.318218	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"317783"	428.327247	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"712392"	636.491747	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1469493"	220.162747	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1060552"	147.110923333333	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1261137"	449.362486	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"379711"	871.621158	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"743987"	1287.950158	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1544947"	455.292158	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K"	38.963158
"303577"	436.314217	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"694911"	644.478717	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1448002"	228.149717	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"247913"	874.691826	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1217341"	458.362826	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1206694"	229.685051	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"202481"	877.62916	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"640951"	1293.95816	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1141542"	461.30016	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"177176"	439.318218	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"616735"	647.482718	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1117202"	231.153718	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1401579"	154.438237333333	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1436248"	463.341746	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"226672"	444.35124	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1521663"	477.39379	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"415515"	447.305188	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"777605"	655.469688	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1673937"	239.140688	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"258269"	896.673768	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1228790"	480.344768	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1716217"	480.368293	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1185217"	161.765551333333	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1655474"	485.323688	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"164159"	909.57704	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"603719"	1325.90604	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1089687"	493.24804	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"146138"	455.292158	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"583876"	663.456658	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1076771"	247.127658	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1101353"	495.262592	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1339075"	495.350207	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1006510"	499.389376	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1526828"	500.383008	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"994007"	250.198326	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1595077"	501.297628	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1415270"	531.329138	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1155401"	270.711601	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1708232"	548.355685	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1642788"	553.31108	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1574066"	569.28502	"C17332"	"7alpha25-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"810996"	416.329	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M"	0
"984528"	397.31061	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"67304"	276.545390666667	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"507957"	415.321724	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"880293"	137.769057333333	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"1051"	415.321724	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"440240"	623.486224	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"817274"	207.157224	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"89348"	831.650724	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"532190"	1247.979724	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"908535"	415.321724	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"59993"	848.677271	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"495180"	1265.006271	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"869702"	432.348271	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"34323"	853.632666	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"478257"	1269.961666	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"859341"	437.303666	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1632519"	437.303666	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"105403"	433.310063	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"543868"	641.474563	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"940910"	225.145563	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"274849"	867.627402	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"663990"	1283.956402	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1285142"	451.298402	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"27700"	869.606606	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"470541"	1285.935606	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"843971"	453.277606	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1567459"	453.277606	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"956436"	461.327194	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"373557"	877.656201	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"359626"	891.671851	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1505180"	475.342851	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"964338"	483.309151	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"116164"	451.298402	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"556820"	659.462902	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1025619"	243.133902	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1245928"	495.247885	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1310202"	497.303872	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1326243"	519.285829	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"919490"	529.314586	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1295106"	565.291264	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1373267"	381.316324	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1385298"	399.3263	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"283159"	833.665276	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"675735"	1249.994276	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1353387"	417.336276	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H"	1.007276
"129559"	417.336276	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"568389"	625.500776	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1037793"	209.171776	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"210558"	278.559942666667	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"646838"	417.336276	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1166058"	139.783609333333	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"429333"	850.691823	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"792516"	1267.020823	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1687752"	434.362823	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"333842"	425.8495495	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"724077"	634.0140495	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1481178"	217.6850495	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"396576"	855.647218	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"761947"	1271.976218	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1606764"	439.318218	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"320081"	428.327247	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"714690"	636.491747	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1470697"	220.162747	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1061394"	147.110923333333	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1263436"	449.362486	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"386383"	871.621158	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"743005"	1287.950158	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1542872"	455.292158	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+K"	38.963158
"300413"	436.314217	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"702314"	644.478717	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1458329"	228.149717	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"248025"	874.691826	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1220733"	458.362826	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1207898"	229.685051	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"199674"	877.62916	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"640696"	1293.95816	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1138371"	461.30016	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"178379"	439.318218	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"616118"	647.482718	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1118165"	231.153718	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1401688"	154.438237333333	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1438181"	463.341746	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"226783"	444.35124	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1514845"	477.39379	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"417813"	447.305188	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"777715"	655.469688	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1668580"	239.140688	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"255827"	896.673768	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1229995"	480.344768	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1712964"	480.368293	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1179614"	161.765551333333	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1650277"	485.323688	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"159894"	909.57704	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"604920"	1325.90604	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1091620"	493.24804	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"147341"	455.292158	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"587996"	663.456658	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1071417"	247.127658	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1100614"	495.262592	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1338821"	495.350207	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1006382"	499.389376	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1524749"	500.383008	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"994117"	250.198326	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1596280"	501.297628	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1418661"	531.329138	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1159885"	270.711601	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1710529"	548.355685	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1642898"	553.31108	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1574176"	569.28502	"C17333"	"3beta-Hydroxy-5-cholestenoate;3beta-Hydroxycholest-5-en-27-oic acid"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"805635"	432.324	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M"	0
"984638"	413.30561	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-H2O-H"	-19.01839
"68507"	287.208724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M-3H"	-3.021828
"504787"	431.316724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M-3H"	-3.021828
"881493"	143.100724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-3H"	-3.021828
"1888"	431.316724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M-2H"	-2.014552
"440437"	647.478724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M-2H"	-2.014552
"818279"	215.154724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-2H"	-2.014552
"86176"	863.640724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M-H"	-1.007276
"530847"	1295.964724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M-H"	-1.007276
"907555"	431.316724	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-H"	-1.007276
"59378"	880.667271	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M-2H+NH4"	16.019271
"498206"	1312.991271	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M-2H+NH4"	16.019271
"869812"	448.343271	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-2H+NH4"	16.019271
"36619"	885.622666	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M-2H+Na"	20.974666
"478367"	1317.946666	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M-2H+Na"	20.974666
"859451"	453.298666	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-2H+Na"	20.974666
"1631418"	453.298666	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Na-2H"	20.974666
"106606"	449.305063	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M-H+Cl"	33.962126
"543978"	665.467063	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M-H+Cl"	33.962126
"939323"	233.143063	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-H+Cl"	33.962126
"274959"	899.617402	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+Cl"	34.969402
"664100"	1331.941402	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+Cl"	34.969402
"1284888"	467.293402	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Cl"	34.969402
"27446"	901.596606	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M-2H+K"	36.948606
"468101"	1333.920606	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M-2H+K"	36.948606
"845175"	469.272606	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-2H+K"	36.948606
"1568663"	469.272606	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+K-2H"	36.948606
"955089"	477.322194	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-H+HCOOH"	44.998194
"372573"	909.646201	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+HCOOH-H"	44.998201
"358643"	923.661851	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+Hac-H"	59.013851
"1505291"	491.337851	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Hac-H"	59.013851
"965178"	499.304151	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-H+NaCOOH"	66.980151
"115182"	467.293402	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+2Cl"	69.938804
"554379"	683.455402	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+2Cl"	69.938804
"1026094"	251.131402	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2Cl"	69.938804
"1245674"	511.242885	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Br"	78.918885
"1309948"	513.298872	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Cl+HCOOH"	80.974872
"1326353"	535.280829	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Cl+NaCOOH"	102.956829
"921786"	545.309586	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M-H+CF3COOH"	112.985586
"1298497"	581.286264	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Cl+CF3COOH"	148.962264
"1375563"	397.311324	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H-2H2O"	-35.012676
"1387595"	415.3213	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H-H2O"	-17.0027
"286187"	865.655276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+H"	1.007276
"678607"	1297.979276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+H"	1.007276
"1352159"	433.331276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H"	1.007276
"130034"	433.331276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+2H"	2.014552
"569592"	649.493276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+2H"	2.014552
"1037783"	217.169276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2H"	2.014552
"212491"	289.223276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+3H"	3.021828
"648041"	433.331276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+3H"	3.021828
"1168354"	145.115276	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+3H"	3.021828
"429443"	882.681823	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+NH4"	18.033823
"790440"	1315.005823	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+NH4"	18.033823
"1687862"	450.357823	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+NH4"	18.033823
"330672"	441.8445495	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+H+NH4"	19.041099
"726374"	658.0065495	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+H+NH4"	19.041099
"1485661"	225.6825495	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H+NH4"	19.041099
"393525"	887.637218	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+Na"	22.989218
"759869"	1319.961218	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+Na"	22.989218
"1606873"	455.313218	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Na"	22.989218
"315816"	444.322247	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+H+Na"	23.996494
"711518"	660.484247	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+H+Na"	23.996494
"1466433"	228.160247	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H+Na"	23.996494
"1059679"	152.44259	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2H+Na"	25.00377
"1263546"	465.357486	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+CH3OH+H"	33.033486
"384307"	903.611158	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+K"	38.963158
"738983"	1335.935158	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+K"	38.963158
"1539921"	471.287158	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+K"	38.963158
"301616"	452.309217	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+H+K"	39.970434
"698048"	668.471217	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+H+K"	39.970434
"1451877"	236.147217	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H+K"	39.970434
"249593"	906.681826	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+ACN+H"	42.033826
"1222302"	474.357826	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+ACN+H"	42.033826
"1205092"	237.682551	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+ACN+2H"	43.041102
"198691"	909.61916	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+2Na-H"	44.97116
"639713"	1341.94316	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+2Na-H"	44.97116
"1137384"	477.29516	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2Na-H"	44.97116
"174478"	455.313218	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+2Na"	45.978436
"616956"	671.475218	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+2Na"	45.978436
"1120462"	239.151218	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2Na"	45.978436
"1398921"	159.769904	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H+2Na"	46.985712
"1436104"	479.336746	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H+HCOOH"	47.012746
"226893"	460.34624	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+3H2O+2H"	56.04448
"1514226"	493.38879	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+IsoProp+H"	61.06479
"417923"	463.300188	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+Na+K"	61.952376
"774545"	679.462188	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+Na+K"	61.952376
"1674157"	247.138188	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Na+K"	61.952376
"258490"	928.663768	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+ACN+Na"	64.015768
"1225767"	496.339768	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+ACN+Na"	64.015768
"1712762"	496.363293	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+NH4+HCOOH"	64.039293
"1179117"	167.097218	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+3Na"	68.967654
"1651685"	501.318688	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Na+HCOOH"	68.994688
"157285"	941.56704	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+2K-H"	76.91904
"603936"	1373.89104	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+2K-H"	76.91904
"1090636"	509.24304	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2K-H"	76.91904
"145628"	471.287158	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"2M+2K"	77.926316
"587012"	687.449158	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"3M+2K"	77.926316
"1069705"	255.125158	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2K"	77.926316
"1101088"	511.257592	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2K+H"	78.933592
"1337108"	511.345207	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+DMSO+H"	79.021207
"1007461"	515.384376	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2ACN+H"	83.060376
"1525586"	516.378008	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+IsoProp+Na+H"	84.054008
"994227"	258.195826	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+2ACN+2H"	84.067652
"1589830"	517.292628	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+K+HCOOH"	84.968628
"1417678"	547.324138	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+H+CF3COOH"	115.000138
"1159267"	278.709101	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+3ACN+2H"	125.094202
"1708452"	564.350685	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+NH4+CF3COOH"	132.026685
"1643008"	569.30608	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+Na+CF3COOH"	136.98208
"1574286"	585.28002	"C17335"	"3beta7alpha-Dihydroxy-5-cholestenoate;3beta7alpha-Dihydroxy-5-cholesten-26-oic acid"	"C27H44O4"	"432.324"	"M+K+CF3COOH"	152.95602
"811213"	416.329	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M"	0
"984748"	397.31061	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"67525"	276.545390666667	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"505990"	415.321724	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"882699"	137.769057333333	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"1634"	415.321724	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"450680"	623.486224	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"829212"	207.157224	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"91031"	831.650724	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"530591"	1247.979724	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"905477"	415.321724	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"54750"	848.677271	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"492121"	1265.006271	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"873203"	432.348271	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"34542"	853.632666	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"478477"	1269.961666	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"859560"	437.303666	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1630187"	437.303666	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"107089"	433.310063	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"544090"	641.474563	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"934324"	225.145563	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"275068"	867.627402	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"672958"	1283.956402	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1277707"	451.298402	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"26830"	869.606606	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"465296"	1285.935606	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"846381"	453.277606	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1568411"	453.277606	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"957268"	461.327194	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"375963"	877.656201	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"353286"	891.671851	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1499205"	475.342851	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"968571"	483.309151	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"117115"	451.298402	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"555951"	659.462902	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1033501"	243.133902	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1249799"	495.247885	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1317353"	497.303872	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1331570"	519.285829	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"922267"	529.314586	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1299701"	565.291264	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1380778"	381.316324	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1390986"	399.3263	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"282893"	833.665276	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"677627"	1249.994276	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1357255"	417.336276	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H"	1.007276
"129051"	417.336276	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"575173"	625.500776	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1040690"	209.171776	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"211872"	278.559942666667	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"649245"	417.336276	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1168464"	139.783609333333	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"430647"	850.691823	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"791646"	1267.020823	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1687973"	434.362823	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"336251"	425.8495495	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"727579"	634.0140495	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1482492"	217.6850495	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"397892"	855.647218	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"762169"	1271.976218	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1611358"	439.318218	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"326863"	428.327247	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"714913"	636.491747	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1470920"	220.162747	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1067691"	147.110923333333	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1272284"	449.362486	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"389884"	871.621158	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"745412"	1287.950158	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1547466"	455.292158	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K"	38.963158
"305736"	436.314217	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"703262"	644.478717	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1457091"	228.149717	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"248609"	874.691826	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1222415"	458.362826	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1207028"	229.685051	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"201357"	877.62916	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"640916"	1293.95816	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1141507"	461.30016	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"186625"	439.318218	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"626427"	647.482718	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1129207"	231.153718	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1410662"	154.438237333333	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1441322"	463.341746	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"233812"	444.35124	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1517252"	477.39379	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"419860"	447.305188	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"783405"	655.469688	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1679617"	239.140688	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"258603"	896.673768	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1231311"	480.344768	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1721290"	480.368293	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1185551"	161.765551333333	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1653257"	485.323688	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"163397"	909.57704	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"610609"	1325.90604	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1096216"	493.24804	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"145744"	455.292158	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"587128"	663.456658	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1072733"	247.127658	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1107036"	495.262592	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1341236"	495.350207	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1007576"	499.389376	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1527889"	500.383008	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"995430"	250.198326	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1595406"	501.297628	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1417787"	531.329138	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1156825"	270.711601	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1708928"	548.355685	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1648222"	553.31108	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1572330"	569.28502	"C17336"	"7alpha26-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"804762"	430.3083	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M"	0
"981576"	411.28991	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-H2O-H"	-19.01839
"73100"	285.864924	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M-3H"	-3.021828
"509380"	429.301024	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M-3H"	-3.021828
"880616"	142.428824	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-3H"	-3.021828
"889"	429.301024	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M-2H"	-2.014552
"446415"	644.455174	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M-2H"	-2.014552
"826406"	214.146874	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-2H"	-2.014552
"90049"	859.609324	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M-H"	-1.007276
"529245"	1289.917624	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M-H"	-1.007276
"904856"	429.301024	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-H"	-1.007276
"57043"	876.635871	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M-2H+NH4"	16.019271
"496607"	1306.944171	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M-2H+NH4"	16.019271
"871125"	446.327571	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-2H+NH4"	16.019271
"41214"	881.591266	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M-2H+Na"	20.974666
"480775"	1311.899566	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M-2H+Na"	20.974666
"861857"	451.282966	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-2H+Na"	20.974666
"1632973"	451.282966	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Na-2H"	20.974666
"108412"	447.289363	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M-H+Cl"	33.962126
"548700"	662.443513	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M-H+Cl"	33.962126
"941968"	232.135213	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-H+Cl"	33.962126
"280646"	895.586002	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+Cl"	34.969402
"671976"	1325.894302	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+Cl"	34.969402
"1282191"	465.277702	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Cl"	34.969402
"24389"	897.565206	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M-2H+K"	36.948606
"467962"	1327.873506	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M-2H+K"	36.948606
"845399"	467.256906	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-2H+K"	36.948606
"1569981"	467.256906	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+K-2H"	36.948606
"957623"	475.306494	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-H+HCOOH"	44.998194
"372794"	905.614801	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+HCOOH-H"	44.998201
"355585"	919.630451	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+Hac-H"	59.013851
"1503691"	489.322151	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Hac-H"	59.013851
"970870"	497.288451	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-H+NaCOOH"	66.980151
"119776"	465.277702	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+2Cl"	69.938804
"558247"	680.431852	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+2Cl"	69.938804
"1033611"	250.123552	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2Cl"	69.938804
"1249909"	509.227185	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Br"	78.918885
"1317826"	511.283172	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Cl+HCOOH"	80.974872
"1333136"	533.265129	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Cl+NaCOOH"	102.956829
"926749"	543.293886	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M-H+CF3COOH"	112.985586
"1303457"	579.270564	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Cl+CF3COOH"	148.962264
"1380160"	395.295624	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H-2H2O"	-35.012676
"1395470"	413.3056	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H-H2O"	-17.0027
"286410"	861.623876	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+H"	1.007276
"679925"	1291.932176	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+H"	1.007276
"1355180"	431.315576	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H"	1.007276
"130255"	431.315576	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+2H"	2.014552
"572001"	646.469726	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+2H"	2.014552
"1038976"	216.161426	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2H"	2.014552
"209795"	287.879476	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+3H"	3.021828
"653730"	431.315576	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+3H"	3.021828
"1167481"	144.443376	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+3H"	3.021828
"429666"	878.650423	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+NH4"	18.033823
"792849"	1308.958723	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+NH4"	18.033823
"1685899"	448.342123	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+NH4"	18.033823
"335268"	439.8288495	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+H+NH4"	19.041099
"729876"	654.9829995	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+H+NH4"	19.041099
"1482606"	224.6746995	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H+NH4"	19.041099
"401286"	883.605818	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+Na"	22.989218
"764468"	1313.914118	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+Na"	22.989218
"1610378"	453.297518	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Na"	22.989218
"321508"	442.306547	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+H+Na"	23.996494
"718303"	657.460697	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+H+Na"	23.996494
"1472124"	227.152397	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H+Na"	23.996494
"1066465"	151.77069	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2H+Na"	25.00377
"1270327"	463.341786	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+CH3OH+H"	33.033486
"387809"	899.579758	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+K"	38.963158
"743336"	1329.888058	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+K"	38.963158
"1545389"	469.271458	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+K"	38.963158
"304753"	450.293517	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+H+K"	39.970434
"699364"	665.447667	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+H+K"	39.970434
"1457201"	235.139367	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H+K"	39.970434
"250302"	902.650426	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+ACN+H"	42.033826
"1223257"	472.342126	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+ACN+H"	42.033826
"1207137"	236.674701	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+ACN+2H"	43.041102
"200737"	905.58776	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+2Na-H"	44.97116
"641755"	1335.89606	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+2Na-H"	44.97116
"1142709"	475.27946	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2Na-H"	44.97116
"183085"	453.297518	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+2Na"	45.978436
"624107"	668.451668	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+2Na"	45.978436
"1127247"	238.143368	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2Na"	45.978436
"1407491"	159.098004	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H+2Na"	46.985712
"1439608"	477.321046	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H+HCOOH"	47.012746
"228940"	458.33054	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+3H2O+2H"	56.04448
"1518457"	491.37309	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+IsoProp+H"	61.06479
"418145"	461.284488	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+Na+K"	61.952376
"776955"	676.438638	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+Na+K"	61.952376
"1670007"	246.130338	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Na+K"	61.952376
"254339"	924.632368	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+ACN+Na"	64.015768
"1226319"	494.324068	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+ACN+Na"	64.015768
"1719213"	494.347593	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+NH4+HCOOH"	64.039293
"1179464"	166.425318	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+3Na"	68.967654
"1651544"	499.302988	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Na+HCOOH"	68.994688
"158404"	937.53564	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+2K-H"	76.91904
"605253"	1367.84394	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+2K-H"	76.91904
"1085756"	507.22734	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2K-H"	76.91904
"142690"	469.271458	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"2M+2K"	77.926316
"586142"	684.425608	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"3M+2K"	77.926316
"1069925"	254.117308	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2K"	77.926316
"1102773"	509.241892	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2K+H"	78.933592
"1338428"	509.329507	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+DMSO+H"	79.021207
"1008046"	513.368676	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2ACN+H"	83.060376
"1525927"	514.362308	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+IsoProp+Na+H"	84.054008
"992261"	257.187976	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+2ACN+2H"	84.067652
"1590043"	515.276928	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+K+HCOOH"	84.968628
"1421177"	545.308438	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+H+CF3COOH"	115.000138
"1152558"	277.701251	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+3ACN+2H"	125.094202
"1705391"	562.334985	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+NH4+CF3COOH"	132.026685
"1648332"	567.29038	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+Na+CF3COOH"	136.98208
"1573411"	583.26432	"C17337"	"7alpha-Hydroxy-3-oxo-4-cholestenoate"	"C27H42O4"	"430.3083"	"M+K+CF3COOH"	152.95602
"811433"	416.329	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M"	0
"983873"	397.31061	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"74303"	276.545390666667	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"511677"	415.321724	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"881459"	137.769057333333	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"757"	415.321724	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"446525"	623.486224	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"826516"	207.157224	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"90881"	831.650724	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"530445"	1247.979724	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"906059"	415.321724	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"56058"	848.677271	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"494528"	1265.006271	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"869047"	432.348271	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"40231"	853.632666	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"476510"	1269.961666	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"851030"	437.303666	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1631503"	437.303666	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"106936"	433.310063	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"546501"	641.474563	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"941471"	225.145563	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"279664"	867.627402	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"673178"	1283.956402	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1282301"	451.298402	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"25953"	869.606606	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"462236"	1285.935606	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"841130"	453.277606	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1565712"	453.277606	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"952503"	461.327194	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"371810"	877.656201	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"355695"	891.671851	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1498331"	475.342851	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"968791"	483.309151	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"118794"	451.298402	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"556170"	659.462902	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1029345"	243.133902	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1251112"	495.247885	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1315749"	497.303872	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1331059"	519.285829	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"925767"	529.314586	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1303204"	565.291264	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1380272"	381.316324	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1394486"	399.3263	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"298184"	833.665276	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"681128"	1249.994276	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1358571"	417.336276	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H"	1.007276
"131459"	417.336276	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"572112"	625.500776	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1038723"	209.171776	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"208812"	278.559942666667	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"652748"	417.336276	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1166498"	139.783609333333	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"428684"	850.691823	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"792960"	1267.020823	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1687105"	434.362823	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"336474"	425.8495495	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"728897"	634.0140495	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1484904"	217.6850495	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"404678"	855.647218	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"766765"	1271.976218	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1615956"	439.318218	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"325993"	428.327247	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"719507"	636.491747	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1467861"	220.162747	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1066573"	147.110923333333	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1270438"	449.362486	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"385733"	871.621158	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"743446"	1287.950158	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1543311"	455.292158	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K"	38.963158
"301583"	436.314217	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"697286"	644.478717	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1460917"	228.149717	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"250290"	874.691826	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1223363"	458.362826	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1208706"	229.685051	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"201941"	877.62916	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"642957"	1293.95816	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1142091"	461.30016	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"182102"	439.318218	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"624945"	647.482718	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1128450"	231.153718	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1407603"	154.438237333333	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1440812"	463.341746	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"232694"	444.35124	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1521121"	477.39379	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"421533"	447.305188	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"777062"	655.469688	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1675583"	239.140688	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"258822"	896.673768	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1234813"	480.344768	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1720417"	480.368293	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1186863"	161.765551333333	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1651290"	485.323688	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"158150"	909.57704	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"600990"	1325.90604	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1085501"	493.24804	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"143775"	455.292158	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"586255"	663.456658	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1071132"	247.127658	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1104340"	495.262592	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1339631"	495.350207	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1008156"	499.389376	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1527379"	500.383008	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"998933"	250.198326	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1588330"	501.297628	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1421287"	531.329138	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1154855"	270.711601	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1705501"	548.355685	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1646619"	553.31108	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1573521"	569.28502	"C17339"	"4-Cholesten-7alpha12alpha-diol-3-one;7alpha12alpha-Dihydroxy-4-cholesten-3-one"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"811543"	1199.4392	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M"	0
"985077"	1180.42081	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H2O-H"	-19.01839
"73320"	798.618857333333	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-3H"	-3.021828
"515068"	1198.431924	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-3H"	-3.021828
"880841"	398.805790666667	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-3H"	-3.021828
"752"	1198.431924	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H"	-2.014552
"441164"	1798.151524	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H"	-2.014552
"824435"	598.712324	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H"	-2.014552
"85520"	2397.871124	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H"	-1.007276
"531643"	3597.310324	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H"	-1.007276
"906169"	1198.431924	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H"	-1.007276
"56169"	2414.897671	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+NH4"	16.019271
"494638"	3614.336871	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+NH4"	16.019271
"871345"	1215.458471	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+NH4"	16.019271
"40340"	2419.853066	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+Na"	20.974666
"479901"	3619.292266	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+Na"	20.974666
"856609"	1220.413866	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+Na"	20.974666
"1631612"	1220.413866	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na-2H"	20.974666
"107046"	1216.420263	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-H+Cl"	33.962126
"544425"	1816.139863	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-H+Cl"	33.962126
"936846"	616.700663	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+Cl"	33.962126
"277588"	2433.847802	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Cl"	34.969402
"671102"	3633.287002	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Cl"	34.969402
"1283507"	1234.408602	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl"	34.969402
"23877"	2435.827006	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M-2H+K"	36.948606
"464533"	3635.266206	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M-2H+K"	36.948606
"842336"	1236.387806	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-2H+K"	36.948606
"1563638"	1236.387806	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K-2H"	36.948606
"954436"	1244.437394	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+HCOOH"	44.998194
"369733"	2443.876601	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+HCOOH-H"	44.998201
"354712"	2457.892251	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Hac-H"	59.013851
"1498441"	1258.453051	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Hac-H"	59.013851
"967808"	1266.419351	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+NaCOOH"	66.980151
"114528"	1234.408602	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Cl"	69.938804
"556281"	1834.128202	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Cl"	69.938804
"1029455"	634.689002	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Cl"	69.938804
"1250128"	1278.358085	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Br"	78.918885
"1313669"	1280.414072	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+HCOOH"	80.974872
"1330074"	1302.396029	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+NaCOOH"	102.956829
"924417"	1312.424786	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M-H+CF3COOH"	112.985586
"1302219"	1348.401464	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Cl+CF3COOH"	148.962264
"1380017"	1164.426524	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-2H2O"	-35.012676
"1395690"	1182.4365	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H-H2O"	-17.0027
"289910"	2399.885676	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H"	1.007276
"685611"	3599.324876	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H"	1.007276
"1359773"	1200.446476	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H"	1.007276
"139223"	1200.446476	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2H"	2.014552
"577689"	1800.166076	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2H"	2.014552
"1039926"	600.726876	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H"	2.014552
"210015"	800.633409333333	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H"	3.021828
"652858"	1200.446476	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+3H"	3.021828
"1166608"	400.820342666667	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3H"	3.021828
"430251"	2416.912223	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+NH4"	18.033823
"794162"	3616.351423	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+NH4"	18.033823
"1695599"	1217.473023	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4"	18.033823
"336586"	1208.9597495	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+NH4"	19.041099
"734475"	1808.6793495	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+NH4"	19.041099
"1482828"	609.2401495	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+NH4"	19.041099
"405881"	2421.867618	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na"	22.989218
"766875"	3621.306818	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na"	22.989218
"1614973"	1222.428418	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na"	22.989218
"327196"	1211.437447	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+Na"	23.996494
"717430"	1811.157047	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+Na"	23.996494
"1470158"	611.717847	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+Na"	23.996494
"1064496"	408.147656666667	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2H+Na"	25.00377
"1265081"	1232.472686	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+CH3OH+H"	33.033486
"384749"	2437.841558	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+K"	38.963158
"745743"	3637.280758	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+K"	38.963158
"1540504"	1238.402358	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K"	38.963158
"301693"	1219.424417	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+H+K"	39.970434
"699582"	1819.144017	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+H+K"	39.970434
"1453412"	619.704817	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+K"	39.970434
"240919"	2440.912226	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+H"	42.033826
"1223836"	1241.473026	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+H"	42.033826
"1206990"	621.240151	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+2H"	43.041102
"198036"	2443.84956	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na-H"	44.97116
"641609"	3643.28876	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na-H"	44.97116
"1145116"	1244.41036	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na-H"	44.97116
"183305"	1222.428418	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2Na"	45.978436
"627239"	1822.148018	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2Na"	45.978436
"1128559"	622.708818	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2Na"	45.978436
"1409900"	415.474970666667	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+2Na"	46.985712
"1442015"	1246.451946	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+HCOOH"	47.012746
"233896"	1227.46144	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+3H2O+2H"	56.04448
"1519770"	1260.50399	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+H"	61.06479
"421643"	1230.415388	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+Na+K"	61.952376
"777172"	1830.134988	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+Na+K"	61.952376
"1675693"	630.695788	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+K"	61.952376
"261118"	2462.894168	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+ACN+Na"	64.015768
"1234923"	1263.454968	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+ACN+Na"	64.015768
"1720527"	1263.478493	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+HCOOH"	64.039293
"1186974"	422.802284666667	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3Na"	68.967654
"1651400"	1268.433888	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+HCOOH"	68.994688
"159476"	2475.79744	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K-H"	76.91904
"603286"	3675.23664	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K-H"	76.91904
"1086706"	1276.35824	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K-H"	76.91904
"143644"	1238.402358	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"2M+2K"	77.926316
"587458"	1838.121958	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"3M+2K"	77.926316
"1074157"	638.682758	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K"	77.926316
"1103721"	1278.372792	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2K+H"	78.933592
"1339377"	1278.460407	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+DMSO+H"	79.021207
"1008632"	1282.499576	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+H"	83.060376
"1527853"	1283.493208	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+IsoProp+Na+H"	84.054008
"996856"	641.753426	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+2ACN+2H"	84.067652
"1588562"	1284.407828	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+HCOOH"	84.968628
"1418117"	1314.439338	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+H+CF3COOH"	115.000138
"1151685"	662.266701	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+3ACN+2H"	125.094202
"1699050"	1331.465885	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+NH4+CF3COOH"	132.026685
"1646729"	1336.42128	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+Na+CF3COOH"	136.98208
"1573631"	1352.39522	"C17343"	"(25S)-3alpha7alpha12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA"	"C48H80N7O20P3S"	"1199.4392"	"M+K+CF3COOH"	152.95602
"811653"	1183.4443	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M"	0
"985187"	1164.42591	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H2O-H"	-19.01839
"75617"	787.955590666667	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-3H"	-3.021828
"515907"	1182.437024	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-3H"	-3.021828
"880951"	393.474157333333	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-3H"	-3.021828
"1713"	1182.437024	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H"	-2.014552
"441274"	1774.159174	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H"	-2.014552
"822358"	590.714874	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H"	-2.014552
"85630"	2365.881324	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-H"	-1.007276
"530660"	3549.325624	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-H"	-1.007276
"902995"	1182.437024	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H"	-1.007276
"55186"	2382.907871	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+NH4"	16.019271
"496934"	3566.352171	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+NH4"	16.019271
"871455"	1199.463571	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+NH4"	16.019271
"38264"	2387.863266	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+Na"	20.974666
"475638"	3571.307566	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+Na"	20.974666
"855626"	1204.418966	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+Na"	20.974666
"1630995"	1204.418966	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na-2H"	20.974666
"106064"	1200.425363	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-H+Cl"	33.962126
"542348"	1792.147513	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-H+Cl"	33.962126
"934770"	608.703213	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+Cl"	33.962126
"275512"	2401.858002	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Cl"	34.969402
"669026"	3585.302302	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Cl"	34.969402
"1280338"	1218.413702	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl"	34.969402
"22892"	2403.837206	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+K"	36.948606
"464643"	3587.281506	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+K"	36.948606
"842447"	1220.392906	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+K"	36.948606
"1565935"	1220.392906	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K-2H"	36.948606
"955278"	1228.442494	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+HCOOH"	44.998194
"369843"	2411.886801	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+HCOOH-H"	44.998201
"354822"	2425.902451	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Hac-H"	59.013851
"1500374"	1242.458151	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Hac-H"	59.013851
"967918"	1250.424451	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+NaCOOH"	66.980151
"115732"	1218.413702	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Cl"	69.938804
"556390"	1810.135852	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Cl"	69.938804
"1029565"	626.691552	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Cl"	69.938804
"1253518"	1262.363185	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Br"	78.918885
"1318884"	1264.419172	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+HCOOH"	80.974872
"1332371"	1286.401129	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+NaCOOH"	102.956829
"926350"	1296.429886	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+CF3COOH"	112.985586
"1303061"	1332.406564	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+CF3COOH"	148.962264
"1381951"	1148.431624	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H-2H2O"	-35.012676
"1396894"	1166.4416	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H-H2O"	-17.0027
"295488"	2367.895876	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H"	1.007276
"686815"	3551.340176	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H"	1.007276
"1360978"	1184.451576	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H"	1.007276
"136053"	1184.451576	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2H"	2.014552
"576705"	1776.173726	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2H"	2.014552
"1041131"	592.729426	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2H"	2.014552
"212313"	789.970142666667	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+3H"	3.021828
"655154"	1184.451576	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+3H"	3.021828
"1169999"	395.488709333333	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3H"	3.021828
"427803"	2384.922423	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+NH4"	18.033823
"795364"	3568.366723	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+NH4"	18.033823
"1692793"	1201.478123	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4"	18.033823
"343259"	1192.9648495	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+NH4"	19.041099
"735679"	1784.6869995	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+NH4"	19.041099
"1484032"	601.2426995	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+NH4"	19.041099
"403805"	2389.877818	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Na"	22.989218
"765893"	3573.322118	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Na"	22.989218
"1615084"	1206.433518	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na"	22.989218
"321839"	1195.442547	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+Na"	23.996494
"714260"	1787.164697	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+Na"	23.996494
"1466986"	603.720397	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+Na"	23.996494
"1062420"	402.816023333333	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2H+Na"	25.00377
"1262274"	1216.477786	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+CH3OH+H"	33.033486
"383400"	2405.851758	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+K"	38.963158
"743667"	3589.296058	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+K"	38.963158
"1542439"	1222.407458	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K"	38.963158
"300710"	1203.429517	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+K"	39.970434
"694224"	1795.151667	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+K"	39.970434
"1454615"	611.707367	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+K"	39.970434
"242122"	2408.922426	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+ACN+H"	42.033826
"1218112"	1225.478126	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+H"	42.033826
"1203820"	613.242701	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+2H"	43.041102
"195959"	2411.85976	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Na-H"	44.97116
"641355"	3595.30406	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Na-H"	44.97116
"1140122"	1228.41546	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Na-H"	44.97116
"181226"	1206.433518	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Na"	45.978436
"624069"	1798.155668	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Na"	45.978436
"1125389"	614.711368	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Na"	45.978436
"1407819"	410.143337333333	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+2Na"	46.985712
"1443581"	1230.457046	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+HCOOH"	47.012746
"231817"	1211.46654	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+3H2O+2H"	56.04448
"1519880"	1244.50909	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+IsoProp+H"	61.06479
"418473"	1214.420488	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Na+K"	61.952376
"777282"	1806.142638	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Na+K"	61.952376
"1678719"	622.698338	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+K"	61.952376
"262322"	2430.904368	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+ACN+Na"	64.015768
"1236126"	1247.460068	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+Na"	64.015768
"1721732"	1247.483593	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4+HCOOH"	64.039293
"1184898"	417.470651333333	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3Na"	68.967654
"1650294"	1252.438988	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+HCOOH"	68.994688
"159343"	2443.80764	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2K-H"	76.91904
"601210"	3627.25194	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2K-H"	76.91904
"1089004"	1260.36334	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K-H"	76.91904
"144727"	1222.407458	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2K"	77.926316
"587571"	1814.129608	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2K"	77.926316
"1072446"	630.685308	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K"	77.926316
"1104561"	1262.377892	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K+H"	78.933592
"1339487"	1262.465507	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+DMSO+H"	79.021207
"1011300"	1266.504676	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2ACN+H"	83.060376
"1527236"	1267.498308	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+IsoProp+Na+H"	84.054008
"995873"	633.755976	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2ACN+2H"	84.067652
"1590374"	1268.412928	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K+HCOOH"	84.968628
"1419316"	1298.444438	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+CF3COOH"	115.000138
"1150701"	654.269251	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3ACN+2H"	125.094202
"1709000"	1315.470985	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4+CF3COOH"	132.026685
"1640278"	1320.42638	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+CF3COOH"	136.98208
"1573742"	1336.40032	"C17345"	"(25R)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K+CF3COOH"	152.95602
"813586"	1183.4443	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M"	0
"986756"	1164.42591	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H2O-H"	-19.01839
"74634"	787.955590666667	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-3H"	-3.021828
"514924"	1182.437024	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-3H"	-3.021828
"889809"	393.474157333333	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-3H"	-3.021828
"10571"	1182.437024	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H"	-2.014552
"443570"	1774.159174	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H"	-2.014552
"823561"	590.714874	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H"	-2.014552
"84647"	2365.881324	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-H"	-1.007276
"528583"	3549.325624	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-H"	-1.007276
"903105"	1182.437024	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H"	-1.007276
"54203"	2382.907871	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+NH4"	16.019271
"495950"	3566.352171	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+NH4"	16.019271
"873752"	1199.463571	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+NH4"	16.019271
"39468"	2387.863266	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+Na"	20.974666
"477935"	3571.307566	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+Na"	20.974666
"855736"	1204.418966	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+Na"	20.974666
"1630012"	1204.418966	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na-2H"	20.974666
"106174"	1200.425363	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-H+Cl"	33.962126
"542458"	1792.147513	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-H+Cl"	33.962126
"934881"	608.703213	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+Cl"	33.962126
"273800"	2401.858002	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Cl"	34.969402
"666223"	3585.302302	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Cl"	34.969402
"1280813"	1218.413702	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl"	34.969402
"22639"	2403.837206	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M-2H+K"	36.948606
"467307"	3587.281506	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M-2H+K"	36.948606
"844379"	1220.392906	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-2H+K"	36.948606
"1566411"	1220.392906	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K-2H"	36.948606
"954659"	1228.442494	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+HCOOH"	44.998194
"369953"	2411.886801	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+HCOOH-H"	44.998201
"354933"	2425.902451	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Hac-H"	59.013851
"1499392"	1242.458151	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Hac-H"	59.013851
"962564"	1250.424451	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+NaCOOH"	66.980151
"115844"	1218.413702	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Cl"	69.938804
"553220"	1810.135852	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Cl"	69.938804
"1026395"	626.691552	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Cl"	69.938804
"1252535"	1262.363185	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Br"	78.918885
"1317172"	1264.419172	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+HCOOH"	80.974872
"1330295"	1286.401129	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+NaCOOH"	102.956829
"925731"	1296.429886	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M-H+CF3COOH"	112.985586
"1300256"	1332.406564	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Cl+CF3COOH"	148.962264
"1380603"	1148.431624	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H-2H2O"	-35.012676
"1397005"	1166.4416	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H-H2O"	-17.0027
"295598"	2367.895876	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H"	1.007276
"684739"	3551.340176	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H"	1.007276
"1362911"	1184.451576	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H"	1.007276
"137257"	1184.451576	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2H"	2.014552
"574628"	1776.173726	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2H"	2.014552
"1047803"	592.729426	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2H"	2.014552
"209143"	789.970142666667	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+3H"	3.021828
"651984"	1184.451576	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+3H"	3.021828
"1167922"	395.488709333333	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3H"	3.021828
"429007"	2384.922423	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+NH4"	18.033823
"793289"	3568.366723	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+NH4"	18.033823
"1691810"	1201.478123	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4"	18.033823
"338995"	1192.9648495	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+NH4"	19.041099
"735789"	1784.6869995	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+NH4"	19.041099
"1484142"	601.2426995	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+NH4"	19.041099
"402822"	2389.877818	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Na"	22.989218
"764910"	3573.322118	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Na"	22.989218
"1614101"	1206.433518	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na"	22.989218
"324136"	1195.442547	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+Na"	23.996494
"712184"	1787.164697	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+Na"	23.996494
"1466367"	603.720397	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+Na"	23.996494
"1062530"	402.816023333333	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2H+Na"	25.00377
"1259469"	1216.477786	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+CH3OH+H"	33.033486
"380597"	2405.851758	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+K"	38.963158
"742318"	3589.296058	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+K"	38.963158
"1542547"	1222.407458	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K"	38.963158
"301183"	1203.429517	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+H+K"	39.970434
"693601"	1795.151667	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+H+K"	39.970434
"1452538"	611.707367	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+K"	39.970434
"243326"	2408.922426	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+ACN+H"	42.033826
"1217129"	1225.478126	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+H"	42.033826
"1202837"	613.242701	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+2H"	43.041102
"196069"	2411.85976	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Na-H"	44.97116
"637820"	3595.30406	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Na-H"	44.97116
"1136951"	1228.41546	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Na-H"	44.97116
"182432"	1206.433518	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2Na"	45.978436
"620899"	1798.155668	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2Na"	45.978436
"1123313"	614.711368	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2Na"	45.978436
"1404650"	410.143337333333	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+2Na"	46.985712
"1443327"	1230.457046	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+HCOOH"	47.012746
"233022"	1211.46654	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+3H2O+2H"	56.04448
"1519990"	1244.50909	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+IsoProp+H"	61.06479
"423565"	1214.420488	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+Na+K"	61.952376
"781766"	1806.142638	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+Na+K"	61.952376
"1674822"	622.698338	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+K"	61.952376
"261338"	2430.904368	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+ACN+Na"	64.015768
"1236236"	1247.460068	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+ACN+Na"	64.015768
"1721842"	1247.483593	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4+HCOOH"	64.039293
"1187196"	417.470651333333	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3Na"	68.967654
"1653079"	1252.438988	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+HCOOH"	68.994688
"159940"	2443.80764	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2K-H"	76.91904
"603507"	3627.25194	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2K-H"	76.91904
"1090207"	1260.36334	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K-H"	76.91904
"147024"	1222.407458	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"2M+2K"	77.926316
"585491"	1814.129608	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"3M+2K"	77.926316
"1072556"	630.685308	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K"	77.926316
"1103579"	1262.377892	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2K+H"	78.933592
"1342877"	1262.465507	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+DMSO+H"	79.021207
"1012504"	1266.504676	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2ACN+H"	83.060376
"1531720"	1267.498308	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+IsoProp+Na+H"	84.054008
"997076"	633.755976	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+2ACN+2H"	84.067652
"1590484"	1268.412928	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K+HCOOH"	84.968628
"1420521"	1298.444438	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+H+CF3COOH"	115.000138
"1155186"	654.269251	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+3ACN+2H"	125.094202
"1709110"	1315.470985	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+NH4+CF3COOH"	132.026685
"1643668"	1320.42638	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+Na+CF3COOH"	136.98208
"1574944"	1336.40032	"C17346"	"(25S)-3alpha7alpha-Dihydroxy-5beta-cholestanoyl-CoA"	"C48H80N7O19P3S"	"1183.4443"	"M+K+CF3COOH"	152.95602
"817062"	59.0483	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M"	0
"988689"	40.02991	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-H2O-H"	-19.01839
"78411"	38.3582573333333	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M-3H"	-3.021828
"518309"	58.041024	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M-3H"	-3.021828
"891743"	18.6754906666667	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-3H"	-3.021828
"11775"	58.041024	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M-2H"	-2.014552
"446962"	87.565174	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M-2H"	-2.014552
"829139"	28.516874	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-2H"	-2.014552
"90954"	117.089324	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M-H"	-1.007276
"532340"	176.137624	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M-H"	-1.007276
"907591"	58.041024	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-H"	-1.007276
"50059"	134.115871	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M-2H+NH4"	16.019271
"491685"	193.164171	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M-2H+NH4"	16.019271
"874958"	75.067571	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-2H+NH4"	16.019271
"40671"	139.071266	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M-2H+Na"	20.974666
"480234"	198.119566	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M-2H+Na"	20.974666
"858035"	80.022966	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-2H+Na"	20.974666
"1628301"	80.022966	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Na-2H"	20.974666
"103008"	76.029363	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M-H+Cl"	33.962126
"541839"	105.553513	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M-H+Cl"	33.962126
"934990"	46.505213	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-H+Cl"	33.962126
"272817"	153.066002	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+Cl"	34.969402
"667791"	212.114302	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+Cl"	34.969402
"1281288"	94.017702	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Cl"	34.969402
"25667"	155.045206	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M-2H+K"	36.948606
"466690"	214.093506	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M-2H+K"	36.948606
"845950"	95.996906	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-2H+K"	36.948606
"1565063"	95.996906	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+K-2H"	36.948606
"951857"	104.046494	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-H+HCOOH"	44.998194
"371158"	163.094801	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+HCOOH-H"	44.998201
"356138"	177.110451	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+Hac-H"	59.013851
"1500597"	118.062151	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Hac-H"	59.013851
"967048"	126.028451	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-H+NaCOOH"	66.980151
"120692"	94.017702	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+2Cl"	69.938804
"555880"	123.541852	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+2Cl"	69.938804
"1027599"	64.493552	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2Cl"	69.938804
"1251552"	137.967185	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Br"	78.918885
"1315092"	140.023172	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Cl+HCOOH"	80.974872
"1334539"	162.005129	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Cl+NaCOOH"	102.956829
"926976"	172.033886	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M-H+CF3COOH"	112.985586
"1300368"	208.010564	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Cl+CF3COOH"	148.962264
"1382051"	24.035624	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H-2H2O"	-35.012676
"1396022"	42.0456	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H-H2O"	-17.0027
"293522"	119.103876	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+H"	1.007276
"691209"	178.152176	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+H"	1.007276
"1363385"	60.055576	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H"	1.007276
"139554"	60.055576	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+2H"	2.014552
"580208"	89.579726	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+2H"	2.014552
"1052658"	30.531426	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2H"	2.014552
"213627"	40.3728093333333	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+3H"	3.021828
"653188"	60.055576	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+3H"	3.021828
"1171313"	20.6900426666667	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+3H"	3.021828
"434586"	136.130423	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+NH4"	18.033823
"794492"	195.178723	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+NH4"	18.033823
"1694837"	77.082123	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+NH4"	18.033823
"342386"	68.5688495	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+H+NH4"	19.041099
"732620"	98.0929995	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+H+NH4"	19.041099
"1487534"	39.0446995	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H+NH4"	19.041099
"402933"	141.085818	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+Na"	22.989218
"765021"	200.134118	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+Na"	22.989218
"1609839"	82.037518	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Na"	22.989218
"320968"	71.046547	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+H+Na"	23.996494
"712295"	100.570697	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+H+Na"	23.996494
"1464293"	41.522397	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H+Na"	23.996494
"1055348"	28.0173566666667	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2H+Na"	25.00377
"1261039"	92.081786	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+CH3OH+H"	33.033486
"385080"	157.059758	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+K"	38.963158
"744981"	216.108058	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+K"	38.963158
"1542659"	98.011458	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+K"	38.963158
"300198"	79.033517	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+H+K"	39.970434
"695538"	108.557667	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+H+K"	39.970434
"1457023"	49.509367	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H+K"	39.970434
"243436"	160.130426	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+ACN+H"	42.033826
"1220520"	101.082126	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+ACN+H"	42.033826
"1201122"	51.044701	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+ACN+2H"	43.041102
"200555"	163.06776	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+2Na-H"	44.97116
"637929"	222.11606	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+2Na-H"	44.97116
"1139251"	104.01946	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2Na-H"	44.97116
"185824"	82.037518	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+2Na"	45.978436
"624290"	111.561668	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+2Na"	45.978436
"1129743"	52.513368	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2Na"	45.978436
"1411322"	35.3446706666667	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H+2Na"	46.985712
"1443077"	106.061046	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H+HCOOH"	47.012746
"235323"	87.07054	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+3H2O+2H"	56.04448
"1523830"	120.11309	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+IsoProp+H"	61.06479
"423757"	90.024488	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+Na+K"	61.952376
"782974"	119.548638	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+Na+K"	61.952376
"1677849"	60.500338	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Na+K"	61.952376
"264731"	182.112368	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+ACN+Na"	64.015768
"1239265"	123.064068	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+ACN+Na"	64.015768
"1726326"	123.087593	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+NH4+HCOOH"	64.039293
"1193380"	42.6719846666667	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+3Na"	68.967654
"1662671"	128.042988	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Na+HCOOH"	68.994688
"166247"	195.01564	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+2K-H"	76.91904
"605805"	254.06394	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+2K-H"	76.91904
"1093597"	135.96734	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2K-H"	76.91904
"149323"	98.011458	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"2M+2K"	77.926316
"591070"	127.535608	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"3M+2K"	77.926316
"1078866"	68.487308	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2K"	77.926316
"1108795"	137.981892	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2K+H"	78.933592
"1342992"	138.069507	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+DMSO+H"	79.021207
"1013708"	142.108676	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2ACN+H"	83.060376
"1529646"	143.102308	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+IsoProp+Na+H"	84.054008
"999375"	71.557976	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+2ACN+2H"	84.067652
"1589865"	144.016928	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+K+HCOOH"	84.968628
"1418445"	174.048438	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+H+CF3COOH"	115.000138
"1158577"	92.071251	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+3ACN+2H"	125.094202
"1711407"	191.074985	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+NH4+CF3COOH"	132.026685
"1643778"	196.03038	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+Na+CF3COOH"	136.98208
"1573961"	212.00432	"C17349"	"Guanidine;Carbamidine"	"CH5N3"	"59.0483"	"M+K+CF3COOH"	152.95602
"814170"	500.1543	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M"	0
"985516"	481.13591	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-H2O-H"	-19.01839
"74489"	332.428924	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M-3H"	-3.021828
"514414"	499.147024	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M-3H"	-3.021828
"890029"	165.710824	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-3H"	-3.021828
"950"	499.147024	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M-2H"	-2.014552
"442697"	749.224174	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M-2H"	-2.014552
"824874"	249.069874	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-2H"	-2.014552
"84867"	999.301324	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M-H"	-1.007276
"528802"	1499.455624	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M-H"	-1.007276
"900046"	499.147024	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-H"	-1.007276
"53326"	1016.327871	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M-2H+NH4"	16.019271
"490702"	1516.482171	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M-2H+NH4"	16.019271
"867532"	516.173571	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-2H+NH4"	16.019271
"39688"	1021.283266	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M-2H+Na"	20.974666
"481437"	1521.437566	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M-2H+Na"	20.974666
"858145"	521.128966	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-2H+Na"	20.974666
"1632784"	521.128966	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Na-2H"	20.974666
"106394"	517.135363	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M-H+Cl"	33.962126
"547779"	767.212513	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M-H+Cl"	33.962126
"938378"	267.058213	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-H+Cl"	33.962126
"278029"	1035.278002	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+Cl"	34.969402
"670815"	1535.432302	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+Cl"	34.969402
"1283948"	535.123702	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Cl"	34.969402
"29421"	1037.257206	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M-2H+K"	36.948606
"468255"	1537.411506	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M-2H+K"	36.948606
"846787"	537.102906	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-2H+K"	36.948606
"1569546"	537.102906	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+K-2H"	36.948606
"954517"	545.152494	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-H+HCOOH"	44.998194
"372361"	1045.306801	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+HCOOH-H"	44.998201
"356977"	1059.322451	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+Hac-H"	59.013851
"1502893"	559.168151	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Hac-H"	59.013851
"967159"	567.134451	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-H+NaCOOH"	66.980151
"120073"	535.123702	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+2Cl"	69.938804
"554531"	785.200852	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+2Cl"	69.938804
"1023695"	285.046552	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2Cl"	69.938804
"1253849"	579.073185	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Br"	78.918885
"1313015"	581.129172	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Cl+HCOOH"	80.974872
"1330512"	603.111129	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Cl+NaCOOH"	102.956829
"915009"	613.139886	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M-H+CF3COOH"	112.985586
"1303030"	649.116564	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Cl+CF3COOH"	148.962264
"1381676"	465.141624	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H-2H2O"	-35.012676
"1396134"	483.1516	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H-H2O"	-17.0027
"293631"	1001.315876	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+H"	1.007276
"690426"	1501.470176	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+H"	1.007276
"1366654"	501.161576	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H"	1.007276
"140881"	501.161576	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+2H"	2.014552
"581311"	751.238726	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+2H"	2.014552
"1052276"	251.084426	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2H"	2.014552
"217016"	334.443476	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+3H"	3.021828
"656578"	501.161576	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+3H"	3.021828
"1175797"	167.725376	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+3H"	3.021828
"436883"	1018.342423	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+NH4"	18.033823
"795695"	1518.496723	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+NH4"	18.033823
"1693125"	518.188123	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+NH4"	18.033823
"343590"	509.6748495	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+H+NH4"	19.041099
"732729"	759.7519995	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+H+NH4"	19.041099
"1488737"	259.5976995	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H+NH4"	19.041099
"406324"	1023.297818	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+Na"	22.989218
"768777"	1523.452118	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+Na"	22.989218
"1613229"	523.143518	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Na"	22.989218
"323265"	512.152547	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+H+Na"	23.996494
"716780"	762.229697	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+H+Na"	23.996494
"1467319"	262.075397	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H+Na"	23.996494
"1055094"	175.05269	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2H+Na"	25.00377
"1264430"	533.187786	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+CH3OH+H"	33.033486
"383002"	1039.271758	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+K"	38.963158
"746184"	1539.426058	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+K"	38.963158
"1551517"	539.117458	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+K"	38.963158
"301402"	520.139517	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+H+K"	39.970434
"694556"	770.216667	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+H+K"	39.970434
"1452756"	270.062367	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H+K"	39.970434
"245730"	1042.342426	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+ACN+H"	42.033826
"1219536"	542.188126	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+ACN+H"	42.033826
"1202324"	271.597701	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+ACN+2H"	43.041102
"198478"	1045.27976	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+2Na-H"	44.97116
"637309"	1545.43406	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+2Na-H"	44.97116
"1141548"	545.12546	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2Na-H"	44.97116
"180465"	523.143518	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+2Na"	45.978436
"622214"	773.220668	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+2Na"	45.978436
"1125720"	273.066368	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2Na"	45.978436
"1412525"	182.380004	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H+2Na"	46.985712
"1445252"	547.167046	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H+HCOOH"	47.012746
"234904"	528.17654	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+3H2O+2H"	56.04448
"1524104"	561.21909	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+IsoProp+H"	61.06479
"424035"	531.130488	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+Na+K"	61.952376
"784906"	781.207638	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+Na+K"	61.952376
"1680996"	281.053338	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Na+K"	61.952376
"265935"	1064.324368	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+ACN+Na"	64.015768
"1240994"	564.170068	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+ACN+Na"	64.015768
"1726800"	564.193593	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+NH4+HCOOH"	64.039293
"1192884"	189.707318	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+3Na"	68.967654
"1662777"	569.148988	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Na+HCOOH"	68.994688
"163077"	1077.22764	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+2K-H"	76.91904
"610288"	1577.38194	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+2K-H"	76.91904
"1091521"	577.07334	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2K-H"	76.91904
"146517"	539.117458	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"2M+2K"	77.926316
"590087"	789.194608	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"3M+2K"	77.926316
"1076789"	289.040308	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2K"	77.926316
"1104529"	579.087892	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2K+H"	78.933592
"1338725"	579.175507	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+DMSO+H"	79.021207
"1010536"	583.214676	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2ACN+H"	83.060376
"1527566"	584.208308	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+IsoProp+Na+H"	84.054008
"999485"	292.110976	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+2ACN+2H"	84.067652
"1587546"	585.122928	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+K+HCOOH"	84.968628
"1419648"	615.154438	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+H+CF3COOH"	115.000138
"1157593"	312.624251	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+3ACN+2H"	125.094202
"1711517"	632.180985	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+NH4+CF3COOH"	132.026685
"1643888"	637.13638	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+Na+CF3COOH"	136.98208
"1574071"	653.11032	"C17350"	"Nocardicin B"	"C23H24N4O9"	"500.1543"	"M+K+CF3COOH"	152.95602
"813187"	486.1751	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M"	0
"986356"	467.15671	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-H2O-H"	-19.01839
"74963"	323.109457333333	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M-3H"	-3.021828
"514524"	485.167824	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M-3H"	-3.021828
"886859"	161.051090666667	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-3H"	-3.021828
"205"	485.167824	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H"	-2.014552
"441714"	728.255374	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H"	-2.014552
"822798"	242.080274	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H"	-2.014552
"84977"	971.342924	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M-H"	-1.007276
"527819"	1457.518024	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M-H"	-1.007276
"897118"	485.167824	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-H"	-1.007276
"53436"	988.369471	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H+NH4"	16.019271
"492997"	1474.544571	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H+NH4"	16.019271
"870800"	502.194371	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H+NH4"	16.019271
"41981"	993.324866	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H+Na"	20.974666
"471577"	1479.499966	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H+Na"	20.974666
"853878"	507.149766	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H+Na"	20.974666
"1629976"	507.149766	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na-2H"	20.974666
"106504"	503.156163	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M-H+Cl"	33.962126
"547160"	746.243713	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M-H+Cl"	33.962126
"939579"	260.068613	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+Cl"	33.962126
"275951"	1007.319602	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Cl"	34.969402
"667278"	1493.494702	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+Cl"	34.969402
"1284058"	521.144502	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl"	34.969402
"29895"	1009.298806	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H+K"	36.948606
"470186"	1495.473906	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H+K"	36.948606
"847263"	523.123706	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H+K"	36.948606
"1568562"	523.123706	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+K-2H"	36.948606
"955718"	531.173294	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+HCOOH"	44.998194
"374657"	1017.348401	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+HCOOH-H"	44.998201
"357086"	1031.364051	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Hac-H"	59.013851
"1503002"	545.188951	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Hac-H"	59.013851
"967995"	553.155251	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+NaCOOH"	66.980151
"112166"	521.144502	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2Cl"	69.938804
"554640"	764.232052	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2Cl"	69.938804
"1028907"	278.056952	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2Cl"	69.938804
"1244482"	565.093985	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Br"	78.918885
"1310939"	567.149972	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl+HCOOH"	80.974872
"1328436"	589.131929	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl+NaCOOH"	102.956829
"916212"	599.160686	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+CF3COOH"	112.985586
"1297297"	635.137364	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl+CF3COOH"	148.962264
"1375458"	451.162424	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H-2H2O"	-35.012676
"1397816"	469.1724	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H-H2O"	-17.0027
"296899"	973.357476	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H"	1.007276
"690781"	1459.532576	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H"	1.007276
"1366755"	487.182376	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H"	1.007276
"140385"	487.182376	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2H"	2.014552
"581313"	730.269926	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2H"	2.014552
"1052265"	244.094826	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2H"	2.014552
"217126"	325.124009333333	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+3H"	3.021828
"656688"	487.182376	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+3H"	3.021828
"1175907"	163.065642666667	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+3H"	3.021828
"436993"	990.384023	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+NH4"	18.033823
"796898"	1476.559123	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+NH4"	18.033823
"1695058"	504.208923	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+NH4"	18.033823
"341878"	495.6956495	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H+NH4"	19.041099
"733569"	738.7831995	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H+NH4"	19.041099
"1487754"	252.6080995	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+NH4"	19.041099
"405340"	995.339418	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Na"	22.989218
"769535"	1481.514518	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+Na"	22.989218
"1613339"	509.164318	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na"	22.989218
"324468"	498.173347	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H+Na"	23.996494
"714703"	741.260897	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H+Na"	23.996494
"1469616"	255.085797	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+Na"	23.996494
"1055205"	170.392956666667	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2H+Na"	25.00377
"1266727"	519.208586	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+CH3OH+H"	33.033486
"380928"	1011.313358	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+K"	38.963158
"754211"	1497.488458	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+K"	38.963158
"1551626"	525.138258	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+K"	38.963158
"303336"	506.160317	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H+K"	39.970434
"694666"	749.247867	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H+K"	39.970434
"1451772"	263.072767	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+K"	39.970434
"242560"	1014.384026	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+ACN+H"	42.033826
"1216730"	528.208926	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+ACN+H"	42.033826
"1200611"	264.608101	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+ACN+2H"	43.041102
"196035"	1017.32136	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2Na-H"	44.97116
"637419"	1503.49646	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2Na-H"	44.97116
"1141656"	531.14626	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2Na-H"	44.97116
"182762"	509.164318	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2Na"	45.978436
"622324"	752.251868	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2Na"	45.978436
"1125830"	266.076768	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2Na"	45.978436
"1408261"	177.720270666667	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+2Na"	46.985712
"1443659"	533.187846	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+HCOOH"	47.012746
"231166"	514.19734	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+3H2O+2H"	56.04448
"1519229"	547.23989	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+IsoProp+H"	61.06479
"423288"	517.151288	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Na+K"	61.952376
"784283"	760.238838	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+Na+K"	61.952376
"1679160"	274.063738	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na+K"	61.952376
"264586"	1036.365968	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+ACN+Na"	64.015768
"1240695"	550.190868	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+ACN+Na"	64.015768
"1726542"	550.214393	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+NH4+HCOOH"	64.039293
"1192992"	185.047584666667	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+3Na"	68.967654
"1659607"	555.169788	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na+HCOOH"	68.994688
"161728"	1049.26924	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2K-H"	76.91904
"610398"	1535.44434	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2K-H"	76.91904
"1091631"	563.09414	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2K-H"	76.91904
"146263"	525.138258	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2K"	77.926316
"590197"	768.225808	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2K"	77.926316
"1076899"	282.050708	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2K"	77.926316
"1103546"	565.108692	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2K+H"	78.933592
"1339928"	565.196307	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+DMSO+H"	79.021207
"1010646"	569.235476	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2ACN+H"	83.060376
"1527676"	570.229108	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+IsoProp+Na+H"	84.054008
"999595"	285.121376	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+2ACN+2H"	84.067652
"1588628"	571.143728	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+K+HCOOH"	84.968628
"1419758"	601.175238	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+CF3COOH"	115.000138
"1157703"	305.634651	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+3ACN+2H"	125.094202
"1711627"	618.201785	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+NH4+CF3COOH"	132.026685
"1643998"	623.15718	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na+CF3COOH"	136.98208
"1574181"	639.13112	"C17351"	"Nocardicin C"	"C23H26N4O8"	"486.1751"	"M+K+CF3COOH"	152.95602
"814390"	486.1751	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M"	0
"985372"	467.15671	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-H2O-H"	-19.01839
"74709"	323.109457333333	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M-3H"	-3.021828
"514270"	485.167824	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M-3H"	-3.021828
"886969"	161.051090666667	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-3H"	-3.021828
"2264"	485.167824	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H"	-2.014552
"442918"	728.255374	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H"	-2.014552
"820721"	242.080274	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H"	-2.014552
"86182"	971.342924	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M-H"	-1.007276
"518855"	1457.518024	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M-H"	-1.007276
"898079"	485.167824	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-H"	-1.007276
"47549"	988.369471	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H+NH4"	16.019271
"490920"	1474.544571	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H+NH4"	16.019271
"866536"	502.194371	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H+NH4"	16.019271
"38810"	993.324866	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H+Na"	20.974666
"476183"	1479.499966	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H+Na"	20.974666
"849125"	507.149766	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H+Na"	20.974666
"1623523"	507.149766	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na-2H"	20.974666
"98959"	503.156163	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M-H+Cl"	33.962126
"545446"	746.243713	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M-H+Cl"	33.962126
"928389"	260.068613	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+Cl"	33.962126
"276057"	1007.319602	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Cl"	34.969402
"666293"	1493.494702	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+Cl"	34.969402
"1283074"	521.144502	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl"	34.969402
"29641"	1009.298806	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M-2H+K"	36.948606
"468472"	1495.473906	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M-2H+K"	36.948606
"847369"	523.123706	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-2H+K"	36.948606
"1570495"	523.123706	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+K-2H"	36.948606
"955463"	531.173294	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+HCOOH"	44.998194
"371487"	1017.348401	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+HCOOH-H"	44.998201
"359019"	1031.364051	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Hac-H"	59.013851
"1504207"	545.188951	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Hac-H"	59.013851
"968470"	553.155251	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+NaCOOH"	66.980151
"115193"	521.144502	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2Cl"	69.938804
"561313"	764.232052	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2Cl"	69.938804
"1027925"	278.056952	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2Cl"	69.938804
"1245321"	565.093985	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Br"	78.918885
"1307039"	567.149972	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl+HCOOH"	80.974872
"1328546"	589.131929	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl+NaCOOH"	102.956829
"914499"	599.160686	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M-H+CF3COOH"	112.985586
"1298500"	635.137364	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Cl+CF3COOH"	148.962264
"1375568"	451.162424	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H-2H2O"	-35.012676
"1395251"	469.1724	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H-H2O"	-17.0027
"297131"	973.357476	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H"	1.007276
"691175"	1459.532576	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H"	1.007276
"1365899"	487.182376	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H"	1.007276
"139885"	487.182376	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2H"	2.014552
"579446"	730.269926	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2H"	2.014552
"1051162"	244.094826	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2H"	2.014552
"218088"	325.124009333333	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+3H"	3.021828
"659109"	487.182376	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+3H"	3.021828
"1177356"	163.065642666667	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+3H"	3.021828
"438804"	990.384023	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+NH4"	18.033823
"797008"	1476.559123	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+NH4"	18.033823
"1694440"	504.208923	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+NH4"	18.033823
"345149"	495.6956495	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H+NH4"	19.041099
"732949"	738.7831995	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H+NH4"	19.041099
"1481303"	252.6080995	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+NH4"	19.041099
"406543"	995.339418	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Na"	22.989218
"768633"	1481.514518	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+Na"	22.989218
"1614541"	509.164318	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na"	22.989218
"319112"	498.173347	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H+Na"	23.996494
"712622"	741.260897	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H+Na"	23.996494
"1466445"	255.085797	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+Na"	23.996494
"1057503"	170.392956666667	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2H+Na"	25.00377
"1260276"	519.208586	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+CH3OH+H"	33.033486
"381033"	1011.313358	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+K"	38.963158
"742032"	1497.488458	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+K"	38.963158
"1547364"	525.138258	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+K"	38.963158
"301259"	506.160317	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+H+K"	39.970434
"693682"	749.247867	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+H+K"	39.970434
"1448603"	263.072767	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+K"	39.970434
"241577"	1014.384026	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+ACN+H"	42.033826
"1215383"	528.208926	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+ACN+H"	42.033826
"1203637"	264.608101	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+ACN+2H"	43.041102
"195417"	1017.32136	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2Na-H"	44.97116
"640445"	1503.49646	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2Na-H"	44.97116
"1139943"	531.14626	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2Na-H"	44.97116
"180683"	509.164318	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2Na"	45.978436
"621339"	752.251868	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2Na"	45.978436
"1124846"	266.076768	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2Na"	45.978436
"1408370"	177.720270666667	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+2Na"	46.985712
"1442673"	533.187846	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+HCOOH"	47.012746
"233464"	514.19734	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+3H2O+2H"	56.04448
"1522620"	547.23989	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+IsoProp+H"	61.06479
"422672"	517.151288	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+Na+K"	61.952376
"783300"	760.238838	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+Na+K"	61.952376
"1680246"	274.063738	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na+K"	61.952376
"265669"	1036.365968	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+ACN+Na"	64.015768
"1240324"	550.190868	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+ACN+Na"	64.015768
"1725561"	550.214393	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+NH4+HCOOH"	64.039293
"1192010"	185.047584666667	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+3Na"	68.967654
"1657530"	555.169788	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na+HCOOH"	68.994688
"164391"	1049.26924	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2K-H"	76.91904
"603950"	1535.44434	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2K-H"	76.91904
"1097940"	563.09414	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2K-H"	76.91904
"146373"	525.138258	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"2M+2K"	77.926316
"590307"	768.225808	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"3M+2K"	77.926316
"1071542"	282.050708	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2K"	77.926316
"1102562"	565.108692	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2K+H"	78.933592
"1338947"	565.196307	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+DMSO+H"	79.021207
"1007475"	569.235476	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2ACN+H"	83.060376
"1529974"	570.229108	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+IsoProp+Na+H"	84.054008
"993144"	285.121376	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+2ACN+2H"	84.067652
"1596396"	571.143728	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+K+HCOOH"	84.968628
"1424243"	601.175238	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+H+CF3COOH"	115.000138
"1158905"	305.634651	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+3ACN+2H"	125.094202
"1711738"	618.201785	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+NH4+CF3COOH"	132.026685
"1640826"	623.15718	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+Na+CF3COOH"	136.98208
"1573198"	639.13112	"C17352"	"Isonocardicin C"	"C23H26N4O8"	"486.1751"	"M+K+CF3COOH"	152.95602
"815593"	485.1434	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M"	0
"985846"	466.12501	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-H2O-H"	-19.01839
"74090"	322.421657333333	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M-3H"	-3.021828
"517296"	484.136124	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M-3H"	-3.021828
"884893"	160.707190666667	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-3H"	-3.021828
"10029"	484.136124	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M-2H"	-2.014552
"446309"	726.707824	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M-2H"	-2.014552
"821924"	241.564424	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-2H"	-2.014552
"86292"	969.279524	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M-H"	-1.007276
"522573"	1454.422924	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M-H"	-1.007276
"898189"	484.136124	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-H"	-1.007276
"48188"	986.306071	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M-2H+NH4"	16.019271
"488843"	1471.449471	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M-2H+NH4"	16.019271
"864341"	501.162671	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-2H+NH4"	16.019271
"32480"	991.261466	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M-2H+Na"	20.974666
"473013"	1476.404866	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M-2H+Na"	20.974666
"849722"	506.118066	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-2H+Na"	20.974666
"1623629"	506.118066	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Na-2H"	20.974666
"95783"	502.124463	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M-H+Cl"	33.962126
"537534"	744.696163	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M-H+Cl"	33.962126
"929955"	259.552763	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-H+Cl"	33.962126
"267374"	1005.256202	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+Cl"	34.969402
"666403"	1490.399602	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+Cl"	34.969402
"1278808"	520.112802	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Cl"	34.969402
"19543"	1007.235406	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M-2H+K"	36.948606
"468583"	1492.378806	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M-2H+K"	36.948606
"847479"	522.092006	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-2H+K"	36.948606
"1569513"	522.092006	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+K-2H"	36.948606
"956304"	530.141594	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-H+HCOOH"	44.998194
"367222"	1015.285001	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+HCOOH-H"	44.998201
"359128"	1029.300651	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+Hac-H"	59.013851
"1503221"	544.157251	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Hac-H"	59.013851
"970038"	552.123551	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-H+NaCOOH"	66.980151
"116395"	520.112802	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+2Cl"	69.938804
"559601"	762.684502	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+2Cl"	69.938804
"1024024"	277.541102	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2Cl"	69.938804
"1242262"	564.062285	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Br"	78.918885
"1304956"	566.118272	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Cl+HCOOH"	80.974872
"1321365"	588.100229	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Cl+NaCOOH"	102.956829
"911486"	598.128986	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M-H+CF3COOH"	112.985586
"1294235"	634.105664	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Cl+CF3COOH"	148.962264
"1377866"	450.130724	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H-2H2O"	-35.012676
"1395361"	468.1407	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H-H2O"	-17.0027
"296145"	971.294076	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+H"	1.007276
"690633"	1456.437476	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+H"	1.007276
"1364916"	486.150676	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H"	1.007276
"138899"	486.150676	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+2H"	2.014552
"580653"	728.722376	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+2H"	2.014552
"1052001"	243.578976	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2H"	2.014552
"219701"	324.436209333333	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+3H"	3.021828
"658001"	486.150676	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+3H"	3.021828
"1176128"	162.721742666667	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+3H"	3.021828
"437942"	988.320623	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+NH4"	18.033823
"797847"	1473.464023	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+NH4"	18.033823
"1691264"	503.177223	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+NH4"	18.033823
"342825"	494.6639495	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+H+NH4"	19.041099
"733059"	737.2356495	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+H+NH4"	19.041099
"1483599"	252.0922495	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H+NH4"	19.041099
"401186"	993.276018	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+Na"	22.989218
"767648"	1478.419418	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+Na"	22.989218
"1613558"	508.132618	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Na"	22.989218
"322502"	497.141647	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+H+Na"	23.996494
"713825"	739.713347	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+H+Na"	23.996494
"1468742"	254.569947	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H+Na"	23.996494
"1058707"	170.049056666667	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2H+Na"	25.00377
"1261478"	518.176886	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+CH3OH+H"	33.033486
"382237"	1009.249958	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+K"	38.963158
"745420"	1494.393358	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+K"	38.963158
"1546378"	524.106558	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+K"	38.963158
"305741"	505.128617	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+H+K"	39.970434
"694885"	747.700317	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+H+K"	39.970434
"1448713"	262.556917	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H+K"	39.970434
"240594"	1012.320626	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+ACN+H"	42.033826
"1218773"	527.177226	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+ACN+H"	42.033826
"1201561"	264.092251	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+ACN+2H"	43.041102
"196620"	1015.25796	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+2Na-H"	44.97116
"640555"	1500.40136	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+2Na-H"	44.97116
"1140783"	530.11456	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2Na-H"	44.97116
"181889"	508.132618	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+2Na"	45.978436
"622544"	750.704318	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+2Na"	45.978436
"1123863"	265.560918	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2Na"	45.978436
"1408481"	177.376370666667	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H+2Na"	46.985712
"1443757"	532.156146	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H+HCOOH"	47.012746
"233453"	513.16564	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+3H2O+2H"	56.04448
"1521637"	546.20819	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+IsoProp+H"	61.06479
"422054"	516.119588	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+Na+K"	61.952376
"781225"	758.691288	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+Na+K"	61.952376
"1678289"	273.547888	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Na+K"	61.952376
"261892"	1034.302568	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+ACN+Na"	64.015768
"1236788"	549.159168	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+ACN+Na"	64.015768
"1722391"	549.182693	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+NH4+HCOOH"	64.039293
"1191025"	184.703684666667	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+3Na"	68.967654
"1658733"	554.138088	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Na+HCOOH"	68.994688
"164136"	1047.20584	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+2K-H"	76.91904
"606247"	1532.34924	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+2K-H"	76.91904
"1095499"	562.06244	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2K-H"	76.91904
"143931"	524.106558	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"2M+2K"	77.926316
"590417"	766.678258	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"3M+2K"	77.926316
"1071652"	281.534858	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2K"	77.926316
"1100482"	564.076992	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2K+H"	78.933592
"1337964"	564.164607	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+DMSO+H"	79.021207
"1008679"	568.203776	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2ACN+H"	83.060376
"1531177"	569.197408	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+IsoProp+Na+H"	84.054008
"997627"	284.605526	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+2ACN+2H"	84.067652
"1597599"	570.112028	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+K+HCOOH"	84.968628
"1425447"	600.143538	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+H+CF3COOH"	115.000138
"1159015"	305.118801	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+3ACN+2H"	125.094202
"1709661"	617.170085	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+NH4+CF3COOH"	132.026685
"1640936"	622.12548	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+Na+CF3COOH"	136.98208
"1572578"	638.09942	"C17353"	"Nocardicin D"	"C23H23N3O9"	"485.1434"	"M+K+CF3COOH"	152.95602
"802582"	399.1067	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M"	0
"982676"	380.08831	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-H2O-H"	-19.01839
"76387"	265.063857333333	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M-3H"	-3.021828
"506107"	398.099424	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M-3H"	-3.021828
"883910"	132.028290666667	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-3H"	-3.021828
"7952"	398.099424	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M-2H"	-2.014552
"445326"	597.652774	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M-2H"	-2.014552
"822034"	198.546074	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-2H"	-2.014552
"85308"	797.206124	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M-H"	-1.007276
"522683"	1196.312824	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M-H"	-1.007276
"898299"	398.099424	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-H"	-1.007276
"48783"	814.232671	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M-2H+NH4"	16.019271
"487614"	1213.339371	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M-2H+NH4"	16.019271
"865174"	415.125971	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-2H+NH4"	16.019271
"35751"	819.188066	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M-2H+Na"	20.974666
"472390"	1218.294766	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M-2H+Na"	20.974666
"850924"	420.081366	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-2H+Na"	20.974666
"1628114"	420.081366	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Na-2H"	20.974666
"96986"	416.087763	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M-H+Cl"	33.962126
"546027"	615.641113	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M-H+Cl"	33.962126
"928969"	216.534413	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-H+Cl"	33.962126
"268379"	833.182802	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+Cl"	34.969402
"661164"	1232.289502	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+Cl"	34.969402
"1277825"	434.076102	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Cl"	34.969402
"19289"	835.162006	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M-2H+K"	36.948606
"465047"	1234.268706	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M-2H+K"	36.948606
"843213"	436.055306	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-2H+K"	36.948606
"1570959"	436.055306	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+K-2H"	36.948606
"955686"	444.104894	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-H+HCOOH"	44.998194
"374989"	843.211601	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+HCOOH-H"	44.998201
"357051"	857.227251	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+Hac-H"	59.013851
"1503333"	458.120551	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Hac-H"	59.013851
"969784"	466.086851	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-H+NaCOOH"	66.980151
"115411"	434.076102	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+2Cl"	69.938804
"557159"	633.629452	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+2Cl"	69.938804
"1024498"	234.522752	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2Cl"	69.938804
"1241886"	478.025585	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Br"	78.918885
"1305067"	480.081572	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Cl+HCOOH"	80.974872
"1321838"	502.063529	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Cl+NaCOOH"	102.956829
"913260"	512.092286	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M-H+CF3COOH"	112.985586
"1297625"	548.068964	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Cl+CF3COOH"	148.962264
"1373600"	364.094024	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H-2H2O"	-35.012676
"1392191"	382.104	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H-H2O"	-17.0027
"296255"	799.220676	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+H"	1.007276
"691235"	1198.327376	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+H"	1.007276
"1366608"	400.113976	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H"	1.007276
"139009"	400.113976	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+2H"	2.014552
"581372"	599.667326	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+2H"	2.014552
"1052687"	200.560626	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2H"	2.014552
"213082"	267.078409333333	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+3H"	3.021828
"658111"	400.113976	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+3H"	3.021828
"1178069"	134.042842666667	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+3H"	3.021828
"438299"	816.247223	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+NH4"	18.033823
"798320"	1215.353923	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+NH4"	18.033823
"1692470"	417.140523	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+NH4"	18.033823
"337467"	408.6272495	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+H+NH4"	19.041099
"729885"	608.1805995	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+H+NH4"	19.041099
"1483706"	209.0738995	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H+NH4"	19.041099
"401291"	821.202618	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+Na"	22.989218
"758276"	1220.309318	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+Na"	22.989218
"1611478"	422.095918	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Na"	22.989218
"316047"	411.104947	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+H+Na"	23.996494
"713935"	610.658297	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+H+Na"	23.996494
"1463016"	211.551597	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H+Na"	23.996494
"1056626"	141.370156666667	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2H+Na"	25.00377
"1260490"	432.140186	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+CH3OH+H"	33.033486
"380160"	837.176558	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+K"	38.963158
"740061"	1236.283258	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+K"	38.963158
"1543208"	438.069858	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+K"	38.963158
"302571"	419.091917	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+H+K"	39.970434
"696089"	618.645267	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+H+K"	39.970434
"1449916"	219.538567	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H+K"	39.970434
"240704"	840.247226	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+ACN+H"	42.033826
"1215965"	441.140526	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+ACN+H"	42.033826
"1202765"	221.073901	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+ACN+2H"	43.041102
"190533"	843.18456	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+2Na-H"	44.97116
"638479"	1242.29126	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+2Na-H"	44.97116
"1141986"	444.07786	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2Na-H"	44.97116
"179812"	422.095918	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+2Na"	45.978436
"621560"	621.649268	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+2Na"	45.978436
"1123973"	222.542568	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2Na"	45.978436
"1407498"	148.697470666667	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H+2Na"	46.985712
"1441801"	446.119446	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H+HCOOH"	47.012746
"232228"	427.12894	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+3H2O+2H"	56.04448
"1519560"	460.17149	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+IsoProp+H"	61.06479
"420340"	430.082888	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+Na+K"	61.952376
"783521"	629.636238	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+Na+K"	61.952376
"1676576"	230.529538	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Na+K"	61.952376
"260909"	862.229168	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+ACN+Na"	64.015768
"1235802"	463.122468	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+ACN+Na"	64.015768
"1722504"	463.145993	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+NH4+HCOOH"	64.039293
"1187855"	156.024784666667	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+3Na"	68.967654
"1658843"	468.101388	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Na+HCOOH"	68.994688
"160966"	875.13244	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+2K-H"	76.91904
"606357"	1274.23914	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+2K-H"	76.91904
"1094151"	476.02574	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2K-H"	76.91904
"142340"	438.069858	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"2M+2K"	77.926316
"590528"	637.623208	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"3M+2K"	77.926316
"1069086"	238.516508	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2K"	77.926316
"1100837"	478.040292	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2K+H"	78.933592
"1336125"	478.127907	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+DMSO+H"	79.021207
"1012069"	482.167076	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2ACN+H"	83.060376
"1530196"	483.160708	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+IsoProp+Na+H"	84.054008
"993364"	241.587176	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+2ACN+2H"	84.067652
"1591148"	484.075328	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+K+HCOOH"	84.968628
"1422276"	514.106838	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+H+CF3COOH"	115.000138
"1155845"	262.100451	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+3ACN+2H"	125.094202
"1707584"	531.133385	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+NH4+CF3COOH"	132.026685
"1644326"	536.08878	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+Na+CF3COOH"	136.98208
"1572324"	552.06272	"C17354"	"Nocardicin F"	"C19H17N3O7"	"399.1067"	"M+K+CF3COOH"	152.95602
"805972"	385.1274	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M"	0
"982786"	366.10901	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-H2O-H"	-19.01839
"75405"	255.744324	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M-3H"	-3.021828
"512778"	384.120124	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M-3H"	-3.021828
"890580"	127.368524	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-3H"	-3.021828
"9155"	384.120124	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M-2H"	-2.014552
"449809"	576.683824	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M-2H"	-2.014552
"822144"	191.556424	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-2H"	-2.014552
"85418"	769.247524	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M-H"	-1.007276
"522794"	1154.374924	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M-H"	-1.007276
"897436"	384.120124	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-H"	-1.007276
"48530"	786.274071	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M-2H+NH4"	16.019271
"487961"	1171.401471	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M-2H+NH4"	16.019271
"866014"	401.146671	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-2H+NH4"	16.019271
"34888"	791.229466	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M-2H+Na"	20.974666
"472256"	1176.356866	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M-2H+Na"	20.974666
"849331"	406.102066	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-2H+Na"	20.974666
"1621664"	406.102066	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Na-2H"	20.974666
"99284"	402.108463	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M-H+Cl"	33.962126
"542127"	594.672163	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M-H+Cl"	33.962126
"932362"	209.544763	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-H+Cl"	33.962126
"268483"	805.224202	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+Cl"	34.969402
"662247"	1190.351602	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+Cl"	34.969402
"1277934"	420.096802	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Cl"	34.969402
"20492"	807.203406	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M-2H+K"	36.948606
"465520"	1192.330806	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M-2H+K"	36.948606
"845146"	422.076006	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-2H+K"	36.948606
"1569372"	422.076006	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+K-2H"	36.948606
"957376"	430.125594	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-H+HCOOH"	44.998194
"372912"	815.253001	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+HCOOH-H"	44.998201
"358622"	829.268651	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+Hac-H"	59.013851
"1504536"	444.141251	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Hac-H"	59.013851
"967710"	452.107551	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-H+NaCOOH"	66.980151
"115522"	420.096802	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+2Cl"	69.938804
"555082"	612.660502	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+2Cl"	69.938804
"1022179"	227.533102	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2Cl"	69.938804
"1241712"	464.046285	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Br"	78.918885
"1304569"	466.102272	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Cl+HCOOH"	80.974872
"1324502"	488.084229	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Cl+NaCOOH"	102.956829
"913735"	498.112986	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M-H+CF3COOH"	112.985586
"1297736"	534.089664	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Cl+CF3COOH"	148.962264
"1373710"	350.114724	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H-2H2O"	-35.012676
"1390114"	368.1247	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H-H2O"	-17.0027
"296364"	771.262076	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+H"	1.007276
"681132"	1156.389476	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+H"	1.007276
"1361853"	386.134676	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H"	1.007276
"136931"	386.134676	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+2H"	2.014552
"579772"	578.698376	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+2H"	2.014552
"1051852"	193.570976	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2H"	2.014552
"216472"	257.758876	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+3H"	3.021828
"656034"	386.134676	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+3H"	3.021828
"1177809"	129.383076	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+3H"	3.021828
"437437"	788.288623	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+NH4"	18.033823
"798066"	1173.416023	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+NH4"	18.033823
"1694766"	403.161223	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+NH4"	18.033823
"338671"	394.6479495	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+H+NH4"	19.041099
"733275"	587.2116495	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+H+NH4"	19.041099
"1482722"	202.0842495	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H+NH4"	19.041099
"400309"	793.244018	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+Na"	22.989218
"760209"	1178.371418	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+Na"	22.989218
"1608308"	408.116618	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Na"	22.989218
"317251"	397.125647	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+H+Na"	23.996494
"711129"	589.689347	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+H+Na"	23.996494
"1462518"	204.561947	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H+Na"	23.996494
"1054914"	136.71039	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2H+Na"	25.00377
"1258415"	418.160886	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+CH3OH+H"	33.033486
"379298"	809.217958	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+K"	38.963158
"739685"	1194.345358	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+K"	38.963158
"1543317"	424.090558	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+K"	38.963158
"303774"	405.112617	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+H+K"	39.970434
"695106"	597.676317	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+H+K"	39.970434
"1447110"	212.548917	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H+K"	39.970434
"240813"	812.288626	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+ACN+H"	42.033826
"1215711"	427.161226	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+ACN+H"	42.033826
"1202875"	214.084251	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+ACN+2H"	43.041102
"190643"	815.22596	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+2Na-H"	44.97116
"639683"	1200.35336	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+2Na-H"	44.97116
"1141002"	430.09856	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2Na-H"	44.97116
"181015"	408.116618	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+2Na"	45.978436
"624950"	600.680318	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+2Na"	45.978436
"1124083"	215.552918	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2Na"	45.978436
"1410888"	144.037704	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H+2Na"	46.985712
"1443613"	432.140146	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H+HCOOH"	47.012746
"231609"	413.14964	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+3H2O+2H"	56.04448
"1517483"	446.19219	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+IsoProp+H"	61.06479
"421543"	416.103588	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+Na+K"	61.952376
"783632"	608.667288	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+Na+K"	61.952376
"1676686"	223.539888	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Na+K"	61.952376
"263205"	834.270568	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+ACN+Na"	64.015768
"1237736"	449.143168	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+ACN+Na"	64.015768
"1724800"	449.166693	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+NH4+HCOOH"	64.039293
"1191977"	151.365018	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+3Na"	68.967654
"1658953"	454.122088	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Na+HCOOH"	68.994688
"163628"	847.17384	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+2K-H"	76.91904
"607560"	1232.30124	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+2K-H"	76.91904
"1095356"	462.04644	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2K-H"	76.91904
"146704"	424.090558	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"2M+2K"	77.926316
"589546"	616.654258	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"3M+2K"	77.926316
"1068952"	231.526858	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2K"	77.926316
"1101798"	464.060992	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2K+H"	78.933592
"1337088"	464.148607	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+DMSO+H"	79.021207
"1012181"	468.187776	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2ACN+H"	83.060376
"1525933"	469.181408	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+IsoProp+Na+H"	84.054008
"991289"	234.597526	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+2ACN+2H"	84.067652
"1593446"	470.096028	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+K+HCOOH"	84.968628
"1422386"	500.127538	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+H+CF3COOH"	115.000138
"1150489"	255.110801	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+3ACN+2H"	125.094202
"1707694"	517.154085	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+NH4+CF3COOH"	132.026685
"1641156"	522.10948	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+Na+CF3COOH"	136.98208
"1571583"	538.08342	"C17355"	"Nocardicin G"	"C19H19N3O6"	"385.1274"	"M+K+CF3COOH"	152.95602
"806082"	171.0532	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M"	0
"988363"	152.03481	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-H2O-H"	-19.01839
"75515"	113.028190666667	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M-3H"	-3.021828
"518373"	170.045924	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M-3H"	-3.021828
"892877"	56.0104573333333	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-3H"	-3.021828
"10359"	170.045924	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M-2H"	-2.014552
"448826"	255.572524	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M-2H"	-2.014552
"822254"	84.519324	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-2H"	-2.014552
"88808"	341.099124	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M-H"	-1.007276
"527277"	512.152324	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M-H"	-1.007276
"902892"	170.045924	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-H"	-1.007276
"49612"	358.125671	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M-2H+NH4"	16.019271
"489175"	529.178871	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M-2H+NH4"	16.019271
"866975"	187.072471	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-2H+NH4"	16.019271
"34876"	363.081066	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M-2H+Na"	20.974666
"473463"	534.134266	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M-2H+Na"	20.974666
"849319"	192.027866	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-2H+Na"	20.974666
"1622867"	192.027866	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Na-2H"	20.974666
"99394"	188.034263	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M-H+Cl"	33.962126
"540052"	273.560863	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M-H+Cl"	33.962126
"929192"	102.507663	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-H+Cl"	33.962126
"268841"	377.075802	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+Cl"	34.969402
"663451"	548.129002	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+Cl"	34.969402
"1276220"	206.022602	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Cl"	34.969402
"21695"	379.055006	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M-2H+K"	36.948606
"465630"	550.108206	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M-2H+K"	36.948606
"844527"	208.001806	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-2H+K"	36.948606
"1568753"	208.001806	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+K-2H"	36.948606
"957607"	216.051394	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-H+HCOOH"	44.998194
"373751"	387.104601	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+HCOOH-H"	44.998201
"360433"	401.120251	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+Hac-H"	59.013851
"1506471"	230.067051	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Hac-H"	59.013851
"968913"	238.033351	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-H+NaCOOH"	66.980151
"118913"	206.022602	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+2Cl"	69.938804
"560660"	291.549202	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+2Cl"	69.938804
"1023992"	120.496002	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2Cl"	69.938804
"1242961"	249.972085	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Br"	78.918885
"1306020"	252.028072	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Cl+HCOOH"	80.974872
"1327892"	274.010029	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Cl+NaCOOH"	102.956829
"920042"	284.038786	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M-H+CF3COOH"	112.985586
"1297846"	320.015464	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Cl+CF3COOH"	148.962264
"1370540"	136.040524	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H-2H2O"	-35.012676
"1392411"	154.0505	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H-H2O"	-17.0027
"297205"	343.113676	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+H"	1.007276
"685616"	514.166876	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+H"	1.007276
"1364150"	172.060476	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H"	1.007276
"141254"	172.060476	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+2H"	2.014552
"579881"	257.587076	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+2H"	2.014552
"1052251"	86.533876	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2H"	2.014552
"216582"	115.042742666667	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+3H"	3.021828
"656140"	172.060476	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+3H"	3.021828
"1177434"	58.0250093333333	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+3H"	3.021828
"437912"	360.140223	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+NH4"	18.033823
"796355"	531.193423	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+NH4"	18.033823
"1694512"	189.087023	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+NH4"	18.033823
"338781"	180.5737495	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+H+NH4"	19.041099
"734479"	266.1003495	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+H+NH4"	19.041099
"1482833"	95.0471495	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H+NH4"	19.041099
"400418"	365.095618	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+Na"	22.989218
"761413"	536.148818	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+Na"	22.989218
"1607327"	194.042418	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Na"	22.989218
"318454"	183.051447	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+H+Na"	23.996494
"715249"	268.578047	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+H+Na"	23.996494
"1465788"	97.524847	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H+Na"	23.996494
"1059035"	65.3523233333333	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2H+Na"	25.00377
"1259984"	204.086686	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+CH3OH+H"	33.033486
"380380"	381.069558	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+K"	38.963158
"743561"	552.122758	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+K"	38.963158
"1542337"	210.016358	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+K"	38.963158
"299513"	191.038417	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+H+K"	39.970434
"697403"	276.565017	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+H+K"	39.970434
"1450136"	105.511817	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H+K"	39.970434
"242017"	384.140226	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+ACN+H"	42.033826
"1215821"	213.087026	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+ACN+H"	42.033826
"1201892"	107.047151	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+ACN+2H"	43.041102
"190510"	387.07756	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+2Na-H"	44.97116
"640887"	558.13076	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+2Na-H"	44.97116
"1133819"	216.02436	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2Na-H"	44.97116
"182217"	194.042418	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+2Na"	45.978436
"620683"	279.569018	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+2Na"	45.978436
"1122004"	108.515818	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2Na"	45.978436
"1408811"	72.6796373333333	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H+2Na"	46.985712
"1440928"	218.065946	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H+HCOOH"	47.012746
"230259"	199.07544	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+3H2O+2H"	56.04448
"1514313"	232.11799	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+IsoProp+H"	61.06479
"415092"	202.029388	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+Na+K"	61.952376
"778274"	287.555988	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+Na+K"	61.952376
"1679712"	116.502788	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Na+K"	61.952376
"263317"	406.122168	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+ACN+Na"	64.015768
"1237119"	235.068968	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+ACN+Na"	64.015768
"1724911"	235.092493	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+NH4+HCOOH"	64.039293
"1190992"	80.0069513333333	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+3Na"	68.967654
"1656511"	240.047888	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Na+HCOOH"	68.994688
"165925"	419.02544	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+2K-H"	76.91904
"604390"	590.07864	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+2K-H"	76.91904
"1097285"	247.97224	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2K-H"	76.91904
"150094"	210.016358	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"2M+2K"	77.926316
"590750"	295.542958	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"3M+2K"	77.926316
"1069179"	124.489758	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2K"	77.926316
"1100812"	249.986792	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2K+H"	78.933592
"1336468"	250.074407	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+DMSO+H"	79.021207
"1013385"	254.113576	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2ACN+H"	83.060376
"1527136"	255.107208	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+IsoProp+Na+H"	84.054008
"999053"	127.560426	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+2ACN+2H"	84.067652
"1594650"	256.021828	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+K+HCOOH"	84.968628
"1424684"	286.053338	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+H+CF3COOH"	115.000138
"1156066"	148.073701	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+3ACN+2H"	125.094202
"1708898"	303.079885	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+NH4+CF3COOH"	132.026685
"1641266"	308.03528	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+Na+CF3COOH"	136.98208
"1572544"	324.00922	"C17356"	"2-Formyloxymethylclavam"	"C7H9NO4"	"171.0532"	"M+K+CF3COOH"	152.95602
"812753"	143.0582	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M"	0
"986288"	124.03981	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-H2O-H"	-19.01839
"77328"	94.3648573333333	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M-3H"	-3.021828
"509717"	142.050924	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M-3H"	-3.021828
"894082"	46.6787906666667	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-3H"	-3.021828
"14239"	142.050924	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M-2H"	-2.014552
"452216"	213.580024	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M-2H"	-2.014552
"827833"	70.521824	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-2H"	-2.014552
"85639"	285.109124	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M-H"	-1.007276
"520828"	428.167324	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M-H"	-1.007276
"895724"	142.050924	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-H"	-1.007276
"48630"	302.135671	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M-2H+NH4"	16.019271
"490378"	445.193871	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M-2H+NH4"	16.019271
"864900"	159.077471	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-2H+NH4"	16.019271
"33894"	307.091066	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M-2H+Na"	20.974666
"471752"	450.149266	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M-2H+Na"	20.974666
"852349"	164.032866	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-2H+Na"	20.974666
"1619697"	164.032866	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Na-2H"	20.974666
"98413"	160.039263	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M-H+Cl"	33.962126
"535908"	231.568363	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M-H+Cl"	33.962126
"930394"	88.510163	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-H+Cl"	33.962126
"267253"	321.085802	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+Cl"	34.969402
"663195"	464.144002	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+Cl"	34.969402
"1274142"	178.027602	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Cl"	34.969402
"21803"	323.065006	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M-2H+K"	36.948606
"461366"	466.123206	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M-2H+K"	36.948606
"844273"	180.006806	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-2H+K"	36.948606
"1570804"	180.006806	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+K-2H"	36.948606
"957104"	188.056394	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-H+HCOOH"	44.998194
"366570"	331.114601	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+HCOOH-H"	44.998201
"359204"	345.130251	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+Hac-H"	59.013851
"1503662"	202.072051	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Hac-H"	59.013851
"970115"	210.038351	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-H+NaCOOH"	66.980151
"119021"	178.027602	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+2Cl"	69.938804
"561863"	249.556702	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+2Cl"	69.938804
"1025196"	106.498502	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2Cl"	69.938804
"1245870"	221.977085	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Br"	78.918885
"1304200"	224.033072	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Cl+HCOOH"	80.974872
"1330188"	246.015029	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Cl+NaCOOH"	102.956829
"920153"	256.043786	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M-H+CF3COOH"	112.985586
"1294674"	292.020464	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Cl+CF3COOH"	148.962264
"1370650"	108.045524	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H-2H2O"	-35.012676
"1390334"	126.0555	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H-H2O"	-17.0027
"297677"	287.123676	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+H"	1.007276
"690951"	430.181876	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+H"	1.007276
"1366934"	144.065476	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H"	1.007276
"140797"	144.065476	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+2H"	2.014552
"581316"	215.594576	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+2H"	2.014552
"1052758"	72.536376	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2H"	2.014552
"219242"	96.3794093333333	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+3H"	3.021828
"659656"	144.065476	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+3H"	3.021828
"1172191"	48.6933426666667	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+3H"	3.021828
"439115"	304.150223	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+NH4"	18.033823
"800722"	447.208423	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+NH4"	18.033823
"1694980"	161.092023	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+NH4"	18.033823
"344353"	152.5787495	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+H+NH4"	19.041099
"733498"	224.1078495	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+H+NH4"	19.041099
"1485131"	81.0496495	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H+NH4"	19.041099
"396521"	309.105618	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+Na"	22.989218
"755695"	452.163818	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+Na"	22.989218
"1603223"	166.047418	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Na"	22.989218
"318567"	155.056447	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+H+Na"	23.996494
"710989"	226.585547	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+H+Na"	23.996494
"1464806"	83.527347	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H+Na"	23.996494
"1055864"	56.0206566666667	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2H+Na"	25.00377
"1259001"	176.091686	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+CH3OH+H"	33.033486
"380492"	325.079558	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+K"	38.963158
"742582"	468.137758	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+K"	38.963158
"1543541"	182.021358	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+K"	38.963158
"299987"	163.043417	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+H+K"	39.970434
"696420"	234.572517	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+H+K"	39.970434
"1451341"	91.514317	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H+K"	39.970434
"244316"	328.150226	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+ACN+H"	42.033826
"1215931"	185.092026	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+ACN+H"	42.033826
"1200910"	93.049651	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+ACN+2H"	43.041102
"191591"	331.08756	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+2Na-H"	44.97116
"640995"	474.14576	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+2Na-H"	44.97116
"1136847"	188.02936	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2Na-H"	44.97116
"182327"	166.047418	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+2Na"	45.978436
"621887"	237.576518	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+2Na"	45.978436
"1123208"	94.518318	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2Na"	45.978436
"1406734"	63.3479706666667	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H+2Na"	46.985712
"1442132"	190.070946	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H+HCOOH"	47.012746
"230735"	171.08044	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+3H2O+2H"	56.04448
"1517703"	204.12299	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+IsoProp+H"	61.06479
"418483"	174.034388	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+Na+K"	61.952376
"782758"	245.563488	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+Na+K"	61.952376
"1680185"	102.505288	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Na+K"	61.952376
"266788"	350.132168	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+ACN+Na"	64.015768
"1237957"	207.073968	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+ACN+Na"	64.015768
"1726842"	207.097493	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+NH4+HCOOH"	64.039293
"1191465"	70.6752846666667	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+3Na"	68.967654
"1662453"	212.052888	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Na+HCOOH"	68.994688
"168221"	363.03544	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+2K-H"	76.91904
"611425"	506.09364	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+2K-H"	76.91904
"1097759"	219.97724	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2K-H"	76.91904
"150201"	182.021358	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"2M+2K"	77.926316
"593046"	253.550458	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"3M+2K"	77.926316
"1075371"	110.492258	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2K"	77.926316
"1101412"	221.991792	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2K+H"	78.933592
"1342780"	222.079407	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+DMSO+H"	79.021207
"1013495"	226.118576	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2ACN+H"	83.060376
"1531620"	227.112208	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+IsoProp+Na+H"	84.054008
"1001351"	113.562926	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+2ACN+2H"	84.067652
"1595855"	228.026828	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+K+HCOOH"	84.968628
"1423701"	258.058338	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+H+CF3COOH"	115.000138
"1161644"	134.076201	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+3ACN+2H"	125.094202
"1711923"	275.084885	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+NH4+CF3COOH"	132.026685
"1647937"	280.04028	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+Na+CF3COOH"	136.98208
"1572654"	296.01422	"C17357"	"2-Hydroxymethylclavam"	"C6H9NO3"	"143.0582"	"M+K+CF3COOH"	152.95602
"803022"	157.0375	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M"	0
"983116"	138.01911	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-H2O-H"	-19.01839
"76829"	103.684390666667	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M-3H"	-3.021828
"512014"	156.030224	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M-3H"	-3.021828
"893097"	51.3385573333333	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-3H"	-3.021828
"13860"	156.030224	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M-2H"	-2.014552
"450140"	234.548974	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M-2H"	-2.014552
"825756"	77.511474	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-2H"	-2.014552
"86843"	313.067724	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M-H"	-1.007276
"519845"	470.105224	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M-H"	-1.007276
"896674"	156.030224	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-H"	-1.007276
"48250"	330.094271	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M-2H+NH4"	16.019271
"487485"	487.131771	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M-2H+NH4"	16.019271
"866103"	173.056771	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-2H+NH4"	16.019271
"31732"	335.049666	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M-2H+Na"	20.974666
"472470"	492.087166	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M-2H+Na"	20.974666
"848660"	178.012166	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-2H+Na"	20.974666
"1621992"	178.012166	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Na-2H"	20.974666
"98523"	174.018563	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M-H+Cl"	33.962126
"536261"	252.537313	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M-H+Cl"	33.962126
"930505"	95.499813	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-H+Cl"	33.962126
"267136"	349.044402	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+Cl"	34.969402
"661482"	506.081902	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+Cl"	34.969402
"1274009"	192.006902	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Cl"	34.969402
"16074"	351.023606	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M-2H+K"	36.948606
"460379"	508.061106	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M-2H+K"	36.948606
"834536"	193.986106	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-2H+K"	36.948606
"1569330"	193.986106	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+K-2H"	36.948606
"952839"	202.035694	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-H+HCOOH"	44.998194
"365587"	359.073201	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+HCOOH-H"	44.998201
"358221"	373.088851	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+Hac-H"	59.013851
"1502679"	216.051351	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Hac-H"	59.013851
"970225"	224.017651	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-H+NaCOOH"	66.980151
"116945"	192.006902	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+2Cl"	69.938804
"558693"	270.525652	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+2Cl"	69.938804
"1025306"	113.488152	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2Cl"	69.938804
"1243793"	235.956385	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Br"	78.918885
"1304416"	238.012372	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Cl+HCOOH"	80.974872
"1327018"	259.994329	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Cl+NaCOOH"	102.956829
"916983"	270.023086	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M-H+CF3COOH"	112.985586
"1294784"	305.999764	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Cl+CF3COOH"	148.962264
"1374040"	122.024824	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H-2H2O"	-35.012676
"1389351"	140.0348	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H-H2O"	-17.0027
"296694"	315.082276	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+H"	1.007276
"688024"	472.119776	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+H"	1.007276
"1365464"	158.044776	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H"	1.007276
"140784"	158.044776	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+2H"	2.014552
"581200"	236.563526	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+2H"	2.014552
"1052705"	79.526026	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2H"	2.014552
"219352"	105.698942666667	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+3H"	3.021828
"658915"	158.044776	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+3H"	3.021828
"1173396"	53.3531093333333	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+3H"	3.021828
"437765"	332.108823	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+NH4"	18.033823
"800708"	489.146323	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+NH4"	18.033823
"1693996"	175.071323	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+NH4"	18.033823
"341183"	166.5580495	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+H+NH4"	19.041099
"730328"	245.0767995	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+H+NH4"	19.041099
"1486335"	88.0392995	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H+NH4"	19.041099
"396267"	337.064218	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+Na"	22.989218
"754353"	494.101718	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+Na"	22.989218
"1602884"	180.026718	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Na"	22.989218
"314538"	169.035747	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+H+Na"	23.996494
"708180"	247.554497	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+H+Na"	23.996494
"1462364"	90.516997	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H+Na"	23.996494
"1053138"	60.6804233333333	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2H+Na"	25.00377
"1257326"	190.070986	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+CH3OH+H"	33.033486
"377808"	353.038158	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+K"	38.963158
"740506"	510.075658	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+K"	38.963158
"1540205"	196.000658	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+K"	38.963158
"298836"	177.022717	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+H+K"	39.970434
"695437"	255.541467	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+H+K"	39.970434
"1453636"	98.503967	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H+K"	39.970434
"241146"	356.108826	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+ACN+H"	42.033826
"1214948"	199.071326	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+ACN+H"	42.033826
"1203207"	100.039301	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+ACN+2H"	43.041102
"190609"	359.04616	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+2Na-H"	44.97116
"640741"	516.08366	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+2Na-H"	44.97116
"1134039"	202.00866	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2Na-H"	44.97116
"183530"	180.026718	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+2Na"	45.978436
"623090"	258.545468	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+2Na"	45.978436
"1123318"	101.507968	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2Na"	45.978436
"1407937"	68.0077373333333	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H+2Na"	46.985712
"1441148"	204.050246	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H+HCOOH"	47.012746
"231938"	185.05974	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+3H2O+2H"	56.04448
"1517813"	218.10229	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+IsoProp+H"	61.06479
"418593"	188.013688	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+Na+K"	61.952376
"781775"	266.532438	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+Na+K"	61.952376
"1678109"	109.494938	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Na+K"	61.952376
"263901"	378.090768	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+ACN+Na"	64.015768
"1235881"	221.053268	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+ACN+Na"	64.015768
"1721850"	221.076793	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+NH4+HCOOH"	64.039293
"1191940"	75.3350513333333	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+3Na"	68.967654
"1656003"	226.032188	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Na+HCOOH"	68.994688
"163957"	390.99404	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+2K-H"	76.91904
"608983"	548.03154	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+2K-H"	76.91904
"1095683"	233.95654	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2K-H"	76.91904
"147031"	196.000658	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"2M+2K"	77.926316
"584407"	274.519408	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"3M+2K"	77.926316
"1075481"	117.481908	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2K"	77.926316
"1101280"	235.971092	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2K+H"	78.933592
"1336691"	236.058707	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+DMSO+H"	79.021207
"1011417"	240.097876	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2ACN+H"	83.060376
"1530637"	241.091508	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+IsoProp+Na+H"	84.054008
"1001826"	120.552576	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+2ACN+2H"	84.067652
"1595965"	242.006128	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+K+HCOOH"	84.968628
"1423811"	272.037638	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+H+CF3COOH"	115.000138
"1161633"	141.065851	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+3ACN+2H"	125.094202
"1711912"	289.064185	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+NH4+CF3COOH"	132.026685
"1648047"	294.01958	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+Na+CF3COOH"	136.98208
"1573128"	309.99352	"C17358"	"Clavam-2-carboxylate"	"C6H7NO4"	"157.0375"	"M+K+CF3COOH"	152.95602
"804225"	216.0746	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M"	0
"986506"	197.05621	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-H2O-H"	-19.01839
"76818"	143.042457333333	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M-3H"	-3.021828
"515404"	215.067324	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M-3H"	-3.021828
"893207"	71.0175906666667	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-3H"	-3.021828
"15064"	215.067324	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M-2H"	-2.014552
"451343"	323.104624	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M-2H"	-2.014552
"828053"	107.030024	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-2H"	-2.014552
"86953"	431.141924	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M-H"	-1.007276
"523235"	647.216524	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M-H"	-1.007276
"896054"	215.067324	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-H"	-1.007276
"48360"	448.168471	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M-2H+NH4"	16.019271
"487922"	664.243071	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M-2H+NH4"	16.019271
"865241"	232.093871	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-2H+NH4"	16.019271
"32411"	453.123866	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M-2H+Na"	20.974666
"472701"	669.198466	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M-2H+Na"	20.974666
"848635"	237.049266	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-2H+Na"	20.974666
"1619185"	237.049266	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Na-2H"	20.974666
"98633"	233.055663	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M-H+Cl"	33.962126
"537464"	341.092963	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M-H+Cl"	33.962126
"929156"	125.018363	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-H+Cl"	33.962126
"267707"	467.118602	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+Cl"	34.969402
"663416"	683.193202	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+Cl"	34.969402
"1275819"	251.044002	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Cl"	34.969402
"17038"	469.097806	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M-2H+K"	36.948606
"459029"	685.172406	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M-2H+K"	36.948606
"834644"	253.023206	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-2H+K"	36.948606
"1563972"	253.023206	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+K-2H"	36.948606
"952948"	261.072794	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-H+HCOOH"	44.998194
"365696"	477.147401	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+HCOOH-H"	44.998201
"349584"	491.163051	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+Hac-H"	59.013851
"1498416"	275.088451	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Hac-H"	59.013851
"972521"	283.054751	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-H+NaCOOH"	66.980151
"121430"	251.044002	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+2Cl"	69.938804
"559895"	359.081302	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+2Cl"	69.938804
"1026509"	143.006702	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2Cl"	69.938804
"1243903"	294.993485	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Br"	78.918885
"1306468"	297.049472	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Cl+HCOOH"	80.974872
"1323118"	319.031429	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Cl+NaCOOH"	102.956829
"920373"	329.060186	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M-H+CF3COOH"	112.985586
"1294894"	365.036864	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Cl+CF3COOH"	148.962264
"1371963"	181.061924	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H-2H2O"	-35.012676
"1390554"	199.0719	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H-H2O"	-17.0027
"295711"	433.156476	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+H"	1.007276
"689225"	649.231076	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+H"	1.007276
"1364481"	217.081876	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H"	1.007276
"139558"	217.081876	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+2H"	2.014552
"580704"	325.119176	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+2H"	2.014552
"1052298"	109.044576	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2H"	2.014552
"219348"	145.057009333333	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+3H"	3.021828
"659757"	217.081876	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+3H"	3.021828
"1173503"	73.0321426666667	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+3H"	3.021828
"439824"	450.183023	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+NH4"	18.033823
"798872"	666.257623	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+NH4"	18.033823
"1695201"	234.108423	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+NH4"	18.033823
"344453"	225.5951495	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+H+NH4"	19.041099
"734812"	333.6324495	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+H+NH4"	19.041099
"1486445"	117.5578495	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H+NH4"	19.041099
"398565"	455.138418	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+Na"	22.989218
"755552"	671.213018	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+Na"	22.989218
"1604744"	239.063818	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Na"	22.989218
"316966"	228.072847	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+H+Na"	23.996494
"709749"	336.110147	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+H+Na"	23.996494
"1463204"	120.035547	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H+Na"	23.996494
"1053047"	80.3594566666667	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2H+Na"	25.00377
"1258492"	249.108086	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+CH3OH+H"	33.033486
"377918"	471.112358	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+K"	38.963158
"740616"	687.186958	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+K"	38.963158
"1540482"	255.037758	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+K"	38.963158
"302031"	236.059817	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+H+K"	39.970434
"692631"	344.097117	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+H+K"	39.970434
"1451559"	128.022517	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H+K"	39.970434
"242349"	474.183026	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+ACN+H"	42.033826
"1213965"	258.108426	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+ACN+H"	42.033826
"1201130"	129.557851	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+ACN+2H"	43.041102
"190719"	477.12036	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+2Na-H"	44.97116
"639029"	693.19496	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+2Na-H"	44.97116
"1137066"	261.04576	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2Na-H"	44.97116
"183640"	239.063818	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+2Na"	45.978436
"624293"	347.101118	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+2Na"	45.978436
"1123428"	131.026518	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2Na"	45.978436
"1410233"	87.6867706666667	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H+2Na"	46.985712
"1442352"	263.087346	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H+HCOOH"	47.012746
"231684"	244.09684	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+3H2O+2H"	56.04448
"1516830"	277.13939	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+IsoProp+H"	61.06479
"418703"	247.050788	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+Na+K"	61.952376
"781521"	355.088088	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+Na+K"	61.952376
"1676397"	139.013488	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Na+K"	61.952376
"258181"	496.164968	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+ACN+Na"	64.015768
"1231982"	280.090368	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+ACN+Na"	64.015768
"1721231"	280.113893	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+NH4+HCOOH"	64.039293
"1187312"	95.0140846666667	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+3Na"	68.967654
"1654290"	285.069288	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Na+HCOOH"	68.994688
"161515"	509.06824	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+2K-H"	76.91904
"606178"	725.14284	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+2K-H"	76.91904
"1093242"	292.99364	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2K-H"	76.91904
"143861"	255.037758	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"2M+2K"	77.926316
"582084"	363.075058	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"3M+2K"	77.926316
"1068822"	147.000458	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2K"	77.926316
"1100168"	295.008192	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2K+H"	78.933592
"1336437"	295.095807	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+DMSO+H"	79.021207
"1011527"	299.134976	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2ACN+H"	83.060376
"1530747"	300.128608	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+IsoProp+Na+H"	84.054008
"999021"	150.071126	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+2ACN+2H"	84.067652
"1593889"	301.043228	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+K+HCOOH"	84.968628
"1423921"	331.074738	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+H+CF3COOH"	115.000138
"1160771"	170.584401	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+3ACN+2H"	125.094202
"1712022"	348.101285	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+NH4+CF3COOH"	132.026685
"1647064"	353.05668	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+Na+CF3COOH"	136.98208
"1573238"	369.03062	"C17359"	"8-Hydroxyalanylclavam"	"C8H12N2O5"	"216.0746"	"M+K+CF3COOH"	152.95602
"810896"	200.0797	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M"	0
"985523"	181.06131	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-H2O-H"	-19.01839
"78361"	132.379190666667	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M-3H"	-3.021828
"518273"	199.072424	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M-3H"	-3.021828
"895540"	65.6859573333333	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-3H"	-3.021828
"13719"	199.072424	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M-2H"	-2.014552
"448176"	299.112274	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M-2H"	-2.014552
"824887"	99.032574	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-2H"	-2.014552
"82689"	399.152124	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M-H"	-1.007276
"524438"	599.231824	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M-H"	-1.007276
"900053"	199.072424	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-H"	-1.007276
"53335"	416.178671	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M-2H+NH4"	16.019271
"492895"	616.258371	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M-2H+NH4"	16.019271
"870699"	216.098971	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-2H+NH4"	16.019271
"39692"	421.134066	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M-2H+Na"	20.974666
"479252"	621.213766	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M-2H+Na"	20.974666
"848907"	221.054366	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-2H+Na"	20.974666
"1626588"	221.054366	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Na-2H"	20.974666
"99836"	217.060763	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M-H+Cl"	33.962126
"543771"	317.100613	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M-H+Cl"	33.962126
"934370"	117.020913	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-H+Cl"	33.962126
"271106"	435.128802	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+Cl"	34.969402
"667172"	635.208502	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+Cl"	34.969402
"1279576"	235.049102	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Cl"	34.969402
"18851"	437.108006	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M-2H+K"	36.948606
"463884"	637.187706	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M-2H+K"	36.948606
"837672"	237.028306	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-2H+K"	36.948606
"1567361"	237.028306	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+K-2H"	36.948606
"954155"	245.077894	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-H+HCOOH"	44.998194
"372372"	445.157601	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+HCOOH-H"	44.998201
"355162"	459.173251	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+Hac-H"	59.013851
"1506916"	259.093551	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Hac-H"	59.013851
"970811"	267.059851	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-H+NaCOOH"	66.980151
"118259"	235.049102	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+2Cl"	69.938804
"557820"	335.088952	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+2Cl"	69.938804
"1025527"	135.009252	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2Cl"	69.938804
"1247293"	278.998585	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Br"	78.918885
"1308648"	281.054572	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Cl+HCOOH"	80.974872
"1322863"	303.036529	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Cl+NaCOOH"	102.956829
"923764"	313.065286	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M-H+CF3COOH"	112.985586
"1303389"	349.041964	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Cl+CF3COOH"	148.962264
"1374260"	165.067024	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H-2H2O"	-35.012676
"1393944"	183.077	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H-H2O"	-17.0027
"296553"	401.166676	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+H"	1.007276
"690065"	601.246376	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+H"	1.007276
"1364591"	201.086976	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H"	1.007276
"141132"	201.086976	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+2H"	2.014552
"580328"	301.126826	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+2H"	2.014552
"1052046"	101.047126	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2H"	2.014552
"218488"	134.393742666667	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+3H"	3.021828
"659549"	201.086976	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+3H"	3.021828
"1174706"	67.7005093333333	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+3H"	3.021828
"438718"	418.193223	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+NH4"	18.033823
"798983"	618.272923	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+NH4"	18.033823
"1694585"	218.113523	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+NH4"	18.033823
"343592"	209.6002495	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+H+NH4"	19.041099
"736746"	309.6400995	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+H+NH4"	19.041099
"1488742"	109.5603995	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H+NH4"	19.041099
"401955"	423.148618	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+Na"	22.989218
"757849"	623.228318	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+Na"	22.989218
"1602865"	223.068918	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Na"	22.989218
"316712"	212.077947	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+H+Na"	23.996494
"707918"	312.117797	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+H+Na"	23.996494
"1463319"	112.038097	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H+Na"	23.996494
"1056563"	75.0278233333333	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2H+Na"	25.00377
"1263342"	233.113186	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+CH3OH+H"	33.033486
"384104"	439.122558	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+K"	38.963158
"741819"	639.202258	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+K"	38.963158
"1546058"	239.042858	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+K"	38.963158
"301047"	220.064917	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+H+K"	39.970434
"697843"	320.104767	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+H+K"	39.970434
"1452763"	120.025067	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H+K"	39.970434
"240272"	442.193226	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+ACN+H"	42.033826
"1212982"	242.113526	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+ACN+H"	42.033826
"1199053"	121.560401	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+ACN+2H"	43.041102
"200674"	445.13056	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+2Na-H"	44.97116
"638046"	645.21026	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+2Na-H"	44.97116
"1135351"	245.05086	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2Na-H"	44.97116
"186305"	223.068918	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+2Na"	45.978436
"625501"	323.108768	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+2Na"	45.978436
"1128281"	123.029068	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2Na"	45.978436
"1411075"	82.3551373333333	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H+2Na"	46.985712
"1440280"	247.092446	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H+HCOOH"	47.012746
"231794"	228.10194	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+3H2O+2H"	56.04448
"1514753"	261.14449	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+IsoProp+H"	61.06479
"420638"	231.055888	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+Na+K"	61.952376
"780907"	331.095738	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+Na+K"	61.952376
"1672864"	131.016038	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Na+K"	61.952376
"257198"	464.175168	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+ACN+Na"	64.015768
"1229539"	264.095468	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+ACN+Na"	64.015768
"1719156"	264.118993	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+NH4+HCOOH"	64.039293
"1184875"	89.6824513333333	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+3Na"	68.967654
"1653308"	269.074388	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Na+HCOOH"	68.994688
"164178"	477.07844	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+2K-H"	76.91904
"599486"	677.15814	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+2K-H"	76.91904
"1090439"	276.99874	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2K-H"	76.91904
"146162"	239.042858	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"2M+2K"	77.926316
"581954"	339.082708	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"3M+2K"	77.926316
"1071328"	139.003008	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2K"	77.926316
"1102351"	279.013292	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2K+H"	78.933592
"1338735"	279.100907	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+DMSO+H"	79.021207
"1010546"	283.140076	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2ACN+H"	83.060376
"1533046"	284.133708	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+IsoProp+Na+H"	84.054008
"999495"	142.073676	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+2ACN+2H"	84.067652
"1596185"	285.048328	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+K+HCOOH"	84.968628
"1421845"	315.079838	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+H+CF3COOH"	115.000138
"1159787"	162.586951	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+3ACN+2H"	125.094202
"1709338"	332.106385	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+NH4+CF3COOH"	132.026685
"1643894"	337.06178	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+Na+CF3COOH"	136.98208
"1572984"	353.03572	"C17360"	"Alanylclavam"	"C8H12N2O4"	"200.0797"	"M+K+CF3COOH"	152.95602
"803352"	157.0739	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M"	0
"989802"	138.05551	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-H2O-H"	-19.01839
"77163"	103.708657333333	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M-3H"	-3.021828
"509071"	156.066624	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M-3H"	-3.021828
"892339"	51.3506906666667	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-3H"	-3.021828
"13100"	156.066624	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M-2H"	-2.014552
"442091"	234.603574	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M-2H"	-2.014552
"823903"	77.529674	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-2H"	-2.014552
"81343"	313.140524	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M-H"	-1.007276
"524548"	470.214424	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M-H"	-1.007276
"902350"	156.066624	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-H"	-1.007276
"53445"	330.167071	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M-2H+NH4"	16.019271
"496285"	487.240971	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M-2H+NH4"	16.019271
"869716"	173.093171	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-2H+NH4"	16.019271
"41989"	335.122466	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M-2H+Na"	20.974666
"478269"	492.196366	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M-2H+Na"	20.974666
"849382"	178.048566	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-2H+Na"	20.974666
"1626698"	178.048566	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Na-2H"	20.974666
"103227"	174.054963	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M-H+Cl"	33.962126
"544975"	252.591913	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M-H+Cl"	33.962126
"935209"	95.518013	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-H+Cl"	33.962126
"270122"	349.117202	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+Cl"	34.969402
"664731"	506.191102	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+Cl"	34.969402
"1274946"	192.043302	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Cl"	34.969402
"19693"	351.096406	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M-2H+K"	36.948606
"459983"	508.170306	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M-2H+K"	36.948606
"836326"	194.022506	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-2H+K"	36.948606
"1566378"	194.022506	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+K-2H"	36.948606
"953901"	202.072094	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-H+HCOOH"	44.998194
"370296"	359.146001	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+HCOOH-H"	44.998201
"354179"	373.161651	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+Hac-H"	59.013851
"1506660"	216.087751	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Hac-H"	59.013851
"973109"	224.054051	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-H+NaCOOH"	66.980151
"120557"	192.043302	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+2Cl"	69.938804
"559024"	270.580252	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+2Cl"	69.938804
"1024544"	113.506352	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2Cl"	69.938804
"1244123"	235.992785	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Br"	78.918885
"1308758"	238.048772	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Cl+HCOOH"	80.974872
"1321880"	260.030729	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Cl+NaCOOH"	102.956829
"923874"	270.059486	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M-H+CF3COOH"	112.985586
"1303014"	306.036164	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Cl+CF3COOH"	148.962264
"1378745"	122.061224	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H-2H2O"	-35.012676
"1392961"	140.0712	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H-H2O"	-17.0027
"297756"	315.155076	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+H"	1.007276
"689812"	472.228976	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+H"	1.007276
"1365431"	158.081176	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H"	1.007276
"141354"	158.081176	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+2H"	2.014552
"580803"	236.618126	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+2H"	2.014552
"1052600"	79.544226	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2H"	2.014552
"219966"	105.723209333333	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+3H"	3.021828
"659739"	158.081176	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+3H"	3.021828
"1174816"	53.3652426666667	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+3H"	3.021828
"439951"	332.181623	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+NH4"	18.033823
"799093"	489.255523	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+NH4"	18.033823
"1696397"	175.107723	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+NH4"	18.033823
"345283"	166.5944495	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+H+NH4"	19.041099
"738481"	245.1313995	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+H+NH4"	19.041099
"1487760"	88.0574995	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H+NH4"	19.041099
"404252"	337.137018	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+Na"	22.989218
"760876"	494.210918	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+Na"	22.989218
"1604598"	180.063118	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Na"	22.989218
"316823"	169.072147	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+H+Na"	23.996494
"709245"	247.609097	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+H+Na"	23.996494
"1463185"	90.535197	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H+Na"	23.996494
"1057403"	60.6925566666667	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2H+Na"	25.00377
"1263452"	190.107386	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+CH3OH+H"	33.033486
"380937"	353.110958	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+K"	38.963158
"743023"	510.184858	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+K"	38.963158
"1545074"	196.037058	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+K"	38.963158
"299333"	177.059117	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+H+K"	39.970434
"696860"	255.596067	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+H+K"	39.970434
"1453966"	98.522167	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H+K"	39.970434
"243664"	356.181626	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+ACN+H"	42.033826
"1212726"	199.107726	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+ACN+H"	42.033826
"1199163"	100.057501	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+ACN+2H"	43.041102
"202728"	359.11896	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+2Na-H"	44.97116
"634876"	516.19286	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+2Na-H"	44.97116
"1138381"	202.04506	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2Na-H"	44.97116
"187873"	180.063118	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+2Na"	45.978436
"624519"	258.600068	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+2Na"	45.978436
"1128026"	101.526168	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2Na"	45.978436
"1411549"	68.0198706666667	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H+2Na"	46.985712
"1442576"	204.086646	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H+HCOOH"	47.012746
"232634"	185.09614	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+3H2O+2H"	56.04448
"1521425"	218.13869	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+IsoProp+H"	61.06479
"421478"	188.050088	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+Na+K"	61.952376
"782839"	266.587038	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+Na+K"	61.952376
"1676253"	109.513138	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Na+K"	61.952376
"259495"	378.163568	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+ACN+Na"	64.015768
"1235480"	221.089668	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+ACN+Na"	64.015768
"1723638"	221.113193	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+NH4+HCOOH"	64.039293
"1187535"	75.3471846666667	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+3Na"	68.967654
"1657427"	226.068588	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Na+HCOOH"	68.994688
"164288"	391.06684	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+2K-H"	76.91904
"603848"	548.14074	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+2K-H"	76.91904
"1087268"	233.99294	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2K-H"	76.91904
"146271"	196.037058	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"2M+2K"	77.926316
"582306"	274.574008	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"3M+2K"	77.926316
"1071438"	117.500108	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2K"	77.926316
"1101732"	236.007492	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2K+H"	78.933592
"1341031"	236.095107	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+DMSO+H"	79.021207
"1010656"	240.134276	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2ACN+H"	83.060376
"1529876"	241.127908	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+IsoProp+Na+H"	84.054008
"998512"	120.570776	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+2ACN+2H"	84.067652
"1594109"	242.042528	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+K+HCOOH"	84.968628
"1421955"	272.074038	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+H+CF3COOH"	115.000138
"1160991"	141.084051	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+3ACN+2H"	125.094202
"1711272"	289.100585	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+NH4+CF3COOH"	132.026685
"1648378"	294.05598	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+Na+CF3COOH"	136.98208
"1573094"	310.02992	"C17361"	"2-Hydroxyethylclavam;Hydroxyethylclavam"	"C7H11NO3"	"157.0739"	"M+K+CF3COOH"	152.95602
"816226"	362.1438	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M"	0
"988910"	343.12541	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-H2O-H"	-19.01839
"69621"	240.421924	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M-3H"	-3.021828
"505901"	361.136524	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M-3H"	-3.021828
"891356"	119.707324	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-3H"	-3.021828
"4463"	361.136524	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M-2H"	-2.014552
"440742"	542.208424	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M-2H"	-2.014552
"818179"	180.064624	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-2H"	-2.014552
"79263"	723.280324	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M-H"	-1.007276
"522471"	1085.424124	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M-H"	-1.007276
"896992"	361.136524	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-H"	-1.007276
"51368"	740.306871	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M-2H+NH4"	16.019271
"490929"	1102.450671	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M-2H+NH4"	16.019271
"870919"	378.163071	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-2H+NH4"	16.019271
"39914"	745.262266	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M-2H+Na"	20.974666
"481660"	1107.406066	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M-2H+Na"	20.974666
"856181"	383.118466	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-2H+Na"	20.974666
"1625715"	383.118466	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Na-2H"	20.974666
"102244"	379.124863	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M-H+Cl"	33.962126
"543991"	560.196763	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M-H+Cl"	33.962126
"935320"	198.052963	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-H+Cl"	33.962126
"269139"	759.257002	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+Cl"	34.969402
"663747"	1121.400802	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+Cl"	34.969402
"1278705"	397.113202	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Cl"	34.969402
"19075"	761.236206	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M-2H+K"	36.948606
"463009"	1123.380006	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M-2H+K"	36.948606
"839718"	399.092406	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-2H+K"	36.948606
"1566488"	399.092406	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+K-2H"	36.948606
"954374"	407.141994	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-H+HCOOH"	44.998194
"373686"	769.285801	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+HCOOH-H"	44.998201
"360007"	783.301451	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+Hac-H"	59.013851
"1507503"	421.157651	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Hac-H"	59.013851
"972489"	429.123951	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-H+NaCOOH"	66.980151
"124677"	397.113202	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+2Cl"	69.938804
"564601"	578.185102	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+2Cl"	69.938804
"1025748"	216.041302	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2Cl"	69.938804
"1251888"	441.062685	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Br"	78.918885
"1315431"	443.118672	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Cl+HCOOH"	80.974872
"1331833"	465.100629	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Cl+NaCOOH"	102.956829
"923984"	475.129386	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M-H+CF3COOH"	112.985586
"1303245"	511.106064	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Cl+CF3COOH"	148.962264
"1372293"	327.131124	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H-2H2O"	-35.012676
"1396358"	345.1411	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H-H2O"	-17.0027
"297746"	725.294876	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+H"	1.007276
"690168"	1087.438676	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+H"	1.007276
"1366270"	363.151076	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H"	1.007276
"139167"	363.151076	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+2H"	2.014552
"579453"	544.222976	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+2H"	2.014552
"1051534"	182.079176	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2H"	2.014552
"219945"	242.436476	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+3H"	3.021828
"659924"	363.151076	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+3H"	3.021828
"1174926"	121.721876	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+3H"	3.021828
"439860"	742.321423	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+NH4"	18.033823
"797744"	1104.465223	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+NH4"	18.033823
"1693349"	380.177623	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+NH4"	18.033823
"344543"	371.6643495	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+H+NH4"	19.041099
"736966"	552.7362495	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+H+NH4"	19.041099
"1488964"	190.5924495	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H+NH4"	19.041099
"402177"	747.276818	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+Na"	22.989218
"762080"	1109.420618	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+Na"	22.989218
"1606897"	385.133018	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Na"	22.989218
"315352"	374.142047	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+H+Na"	23.996494
"710447"	555.213947	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+H+Na"	23.996494
"1465361"	193.070147	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H+Na"	23.996494
"1056415"	129.04919	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2H+Na"	25.00377
"1260287"	395.177286	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+CH3OH+H"	33.033486
"377887"	763.250758	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+K"	38.963158
"739365"	1125.394558	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+K"	38.963158
"1546279"	401.106958	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+K"	38.963158
"300175"	382.129017	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+H+K"	39.970434
"701349"	563.200917	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+H+K"	39.970434
"1455169"	201.057117	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H+K"	39.970434
"244868"	766.321426	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+ACN+H"	42.033826
"1216484"	404.177626	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+ACN+H"	42.033826
"1206929"	202.592451	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+ACN+2H"	43.041102
"203204"	769.25876	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+2Na-H"	44.97116
"641547"	1131.40256	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+2Na-H"	44.97116
"1140679"	407.11496	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2Na-H"	44.97116
"188108"	385.133018	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+2Na"	45.978436
"623535"	566.204918	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+2Na"	45.978436
"1124855"	204.061118	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2Na"	45.978436
"1411660"	136.376504	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H+2Na"	46.985712
"1440864"	409.156546	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H+HCOOH"	47.012746
"231288"	390.16604	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+3H2O+2H"	56.04448
"1517159"	423.20859	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+IsoProp+H"	61.06479
"423409"	393.119988	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+Na+K"	61.952376
"783677"	574.191888	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+Na+K"	61.952376
"1677457"	212.048088	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Na+K"	61.952376
"261791"	788.303368	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+ACN+Na"	64.015768
"1233403"	426.159568	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+ACN+Na"	64.015768
"1722290"	426.183093	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+NH4+HCOOH"	64.039293
"1185459"	143.703818	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+3Na"	68.967654
"1654257"	431.138488	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Na+HCOOH"	68.994688
"163305"	801.20664	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+2K-H"	76.91904
"599585"	1163.35044	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+2K-H"	76.91904
"1088472"	439.06284	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2K-H"	76.91904
"144195"	401.106958	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"2M+2K"	77.926316
"584848"	582.178858	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"3M+2K"	77.926316
"1074828"	220.035058	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2K"	77.926316
"1103662"	441.077392	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2K+H"	78.933592
"1338953"	441.165007	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+DMSO+H"	79.021207
"1009674"	445.204176	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2ACN+H"	83.060376
"1535456"	446.197808	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+IsoProp+Na+H"	84.054008
"1001903"	223.105726	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+2ACN+2H"	84.067652
"1598594"	447.112428	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+K+HCOOH"	84.968628
"1427534"	477.143938	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+H+CF3COOH"	115.000138
"1161102"	243.619001	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+3ACN+2H"	125.094202
"1709559"	494.170485	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+NH4+CF3COOH"	132.026685
"1649789"	499.12588	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+Na+CF3COOH"	136.98208
"1573205"	515.09982	"C17362"	"Clavamycin B"	"C13H22N4O8"	"362.1438"	"M+K+CF3COOH"	152.95602
"806852"	362.1438	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M"	0
"986947"	343.12541	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-H2O-H"	-19.01839
"78196"	240.421924	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M-3H"	-3.021828
"504918"	361.136524	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M-3H"	-3.021828
"893654"	119.707324	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-3H"	-3.021828
"4573"	361.136524	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M-2H"	-2.014552
"440973"	542.208424	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M-2H"	-2.014552
"820112"	180.064624	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-2H"	-2.014552
"81198"	723.280324	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M-H"	-1.007276
"520757"	1085.424124	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M-H"	-1.007276
"896613"	361.136524	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-H"	-1.007276
"51478"	740.306871	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M-2H+NH4"	16.019271
"495413"	1102.450671	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M-2H+NH4"	16.019271
"871028"	378.163071	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-2H+NH4"	16.019271
"38929"	745.262266	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M-2H+Na"	20.974666
"478490"	1107.406066	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M-2H+Na"	20.974666
"849242"	383.118466	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-2H+Na"	20.974666
"1625825"	383.118466	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Na-2H"	20.974666
"102354"	379.124863	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M-H+Cl"	33.962126
"543008"	560.196763	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M-H+Cl"	33.962126
"934337"	198.052963	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-H+Cl"	33.962126
"276178"	759.257002	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+Cl"	34.969402
"664225"	1121.400802	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+Cl"	34.969402
"1278814"	397.113202	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Cl"	34.969402
"21371"	761.236206	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M-2H+K"	36.948606
"462026"	1123.380006	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M-2H+K"	36.948606
"839828"	399.092406	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-2H+K"	36.948606
"1565504"	399.092406	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+K-2H"	36.948606
"952298"	407.141994	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-H+HCOOH"	44.998194
"375622"	769.285801	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+HCOOH-H"	44.998201
"357683"	783.301451	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+Hac-H"	59.013851
"1505423"	421.157651	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Hac-H"	59.013851
"972235"	429.123951	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-H+NaCOOH"	66.980151
"119684"	397.113202	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+2Cl"	69.938804
"562524"	578.185102	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+2Cl"	69.938804
"1030232"	216.041302	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2Cl"	69.938804
"1248718"	441.062685	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Br"	78.918885
"1312262"	443.118672	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Cl+HCOOH"	80.974872
"1333766"	465.100629	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Cl+NaCOOH"	102.956829
"925190"	475.129386	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M-H+CF3COOH"	112.985586
"1301897"	511.106064	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Cl+CF3COOH"	148.962264
"1376778"	327.131124	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H-2H2O"	-35.012676
"1397556"	345.1411	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H-H2O"	-17.0027
"292868"	725.294876	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+H"	1.007276
"690641"	1087.438676	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+H"	1.007276
"1365770"	363.151076	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H"	1.007276
"139631"	363.151076	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+2H"	2.014552
"580166"	544.222976	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+2H"	2.014552
"1051279"	182.079176	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2H"	2.014552
"218333"	242.436476	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+3H"	3.021828
"658378"	363.151076	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+3H"	3.021828
"1176742"	121.721876	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+3H"	3.021828
"438930"	742.321423	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+NH4"	18.033823
"797857"	1104.465223	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+NH4"	18.033823
"1694189"	380.177623	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+NH4"	18.033823
"343560"	371.6643495	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+H+NH4"	19.041099
"730881"	552.7362495	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+H+NH4"	19.041099
"1481421"	190.5924495	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H+NH4"	19.041099
"399007"	747.276818	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+Na"	22.989218
"758910"	1109.420618	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+Na"	22.989218
"1604212"	385.133018	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Na"	22.989218
"317044"	374.142047	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+H+Na"	23.996494
"709465"	555.213947	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+H+Na"	23.996494
"1465472"	193.070147	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H+Na"	23.996494
"1057622"	129.04919	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2H+Na"	25.00377
"1260396"	395.177286	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+CH3OH+H"	33.033486
"377128"	763.250758	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+K"	38.963158
"739236"	1125.394558	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+K"	38.963158
"1546389"	401.106958	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+K"	38.963158
"300649"	382.129017	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+H+K"	39.970434
"697084"	563.200917	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+H+K"	39.970434
"1456374"	201.057117	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H+K"	39.970434
"241698"	766.321426	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+ACN+H"	42.033826
"1215501"	404.177626	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+ACN+H"	42.033826
"1205946"	202.592451	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+ACN+2H"	43.041102
"202585"	769.25876	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+2Na-H"	44.97116
"643360"	1131.40256	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+2Na-H"	44.97116
"1140789"	407.11496	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2Na-H"	44.97116
"187361"	385.133018	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+2Na"	45.978436
"623645"	566.204918	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+2Na"	45.978436
"1124965"	204.061118	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2Na"	45.978436
"1407396"	136.376504	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H+2Na"	46.985712
"1439514"	409.156546	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H+HCOOH"	47.012746
"230303"	390.16604	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+3H2O+2H"	56.04448
"1519455"	423.20859	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+IsoProp+H"	61.06479
"421329"	393.119988	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+Na+K"	61.952376
"782691"	574.191888	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+Na+K"	61.952376
"1674287"	212.048088	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Na+K"	61.952376
"259713"	788.303368	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+ACN+Na"	64.015768
"1234607"	426.159568	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+ACN+Na"	64.015768
"1720212"	426.183093	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+NH4+HCOOH"	64.039293
"1187024"	143.703818	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+3Na"	68.967654
"1656554"	431.138488	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Na+HCOOH"	68.994688
"164506"	801.20664	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+2K-H"	76.91904
"600790"	1163.35044	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+2K-H"	76.91904
"1087489"	439.06284	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2K-H"	76.91904
"144305"	401.106958	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"2M+2K"	77.926316
"583865"	582.178858	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"3M+2K"	77.926316
"1072752"	220.035058	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2K"	77.926316
"1102680"	441.077392	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2K+H"	78.933592
"1339063"	441.165007	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+DMSO+H"	79.021207
"1016345"	445.204176	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2ACN+H"	83.060376
"1535566"	446.197808	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+IsoProp+Na+H"	84.054008
"998733"	223.105726	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+2ACN+2H"	84.067652
"1598704"	447.112428	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+K+HCOOH"	84.968628
"1427645"	477.143938	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+H+CF3COOH"	115.000138
"1161091"	243.619001	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+3ACN+2H"	125.094202
"1707482"	494.170485	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+NH4+CF3COOH"	132.026685
"1649777"	499.12588	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+Na+CF3COOH"	136.98208
"1572586"	515.09982	"C17363"	"Clavamycin C"	"C13H22N4O8"	"362.1438"	"M+K+CF3COOH"	152.95602
"806962"	315.143	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M"	0
"987057"	296.12461	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-H2O-H"	-19.01839
"77909"	209.088057333333	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M-3H"	-3.021828
"515961"	314.135724	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M-3H"	-3.021828
"895346"	104.040390666667	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-3H"	-3.021828
"11245"	314.135724	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M-2H"	-2.014552
"444245"	471.707224	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M-2H"	-2.014552
"825327"	156.564224	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-2H"	-2.014552
"84225"	629.278724	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M-H"	-1.007276
"525972"	944.421724	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M-H"	-1.007276
"898306"	314.135724	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-H"	-1.007276
"50495"	646.305271	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M-2H+NH4"	16.019271
"491149"	961.448271	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M-2H+NH4"	16.019271
"865913"	331.162271	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-2H+NH4"	16.019271
"35757"	651.260666	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M-2H+Na"	20.974666
"476413"	966.403666	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M-2H+Na"	20.974666
"849840"	336.117666	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-2H+Na"	20.974666
"1619736"	336.117666	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Na-2H"	20.974666
"104651"	332.124063	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M-H+Cl"	33.962126
"543118"	489.695563	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M-H+Cl"	33.962126
"941008"	174.552563	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-H+Cl"	33.962126
"279568"	665.255402	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+Cl"	34.969402
"667615"	980.398402	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+Cl"	34.969402
"1281113"	350.112402	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Cl"	34.969402
"22575"	667.234606	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M-2H+K"	36.948606
"465416"	982.377606	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M-2H+K"	36.948606
"839938"	352.091606	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-2H+K"	36.948606
"1566707"	352.091606	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+K-2H"	36.948606
"954595"	360.141194	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-H+HCOOH"	44.998194
"375732"	675.284201	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+HCOOH-H"	44.998201
"359984"	689.299851	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+Hac-H"	59.013851
"1508214"	374.156851	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Hac-H"	59.013851
"973444"	382.123151	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-H+NaCOOH"	66.980151
"124782"	350.112402	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+2Cl"	69.938804
"564828"	507.683902	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+2Cl"	69.938804
"1034716"	192.540902	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2Cl"	69.938804
"1255389"	394.061885	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Br"	78.918885
"1315653"	396.117872	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Cl+HCOOH"	80.974872
"1334240"	418.099829	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Cl+NaCOOH"	102.956829
"924206"	428.128586	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M-H+CF3COOH"	112.985586
"1302007"	464.105264	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Cl+CF3COOH"	148.962264
"1374700"	280.130324	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H-2H2O"	-35.012676
"1396573"	298.1403	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H-H2O"	-17.0027
"297351"	631.293276	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+H"	1.007276
"690145"	946.436276	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+H"	1.007276
"1366730"	316.150276	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H"	1.007276
"141224"	316.150276	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+2H"	2.014552
"581011"	473.721776	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+2H"	2.014552
"1051149"	158.578776	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2H"	2.014552
"219058"	211.102609333333	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+3H"	3.021828
"659266"	316.150276	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+3H"	3.021828
"1177946"	106.054942666667	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+3H"	3.021828
"438300"	648.319823	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+NH4"	18.033823
"799793"	963.462823	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+NH4"	18.033823
"1691383"	333.176823	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+NH4"	18.033823
"343309"	324.6635495	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+H+NH4"	19.041099
"735365"	482.2350495	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+H+NH4"	19.041099
"1488821"	167.0920495	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H+NH4"	19.041099
"401304"	653.275218	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+Na"	22.989218
"766673"	968.418218	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+Na"	22.989218
"1611491"	338.132218	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Na"	22.989218
"322622"	327.141247	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+H+Na"	23.996494
"710669"	484.712747	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+H+Na"	23.996494
"1464489"	169.569747	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H+Na"	23.996494
"1059919"	113.382256666667	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2H+Na"	25.00377
"1260506"	348.176486	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+CH3OH+H"	33.033486
"383456"	669.249158	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+K"	38.963158
"742263"	984.392158	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+K"	38.963158
"1543221"	354.106158	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+K"	38.963158
"298772"	335.128217	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+H+K"	39.970434
"694277"	492.699717	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+H+K"	39.970434
"1455392"	177.556717	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H+K"	39.970434
"240716"	672.319826	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+ACN+H"	42.033826
"1216705"	357.176826	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+ACN+H"	42.033826
"1206056"	179.092051	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+ACN+2H"	43.041102
"201844"	675.25716	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+2Na-H"	44.97116
"639582"	990.40016	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+2Na-H"	44.97116
"1144547"	360.11416	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2Na-H"	44.97116
"186377"	338.132218	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+2Na"	45.978436
"622662"	495.703718	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+2Na"	45.978436
"1125075"	180.560718	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2Na"	45.978436
"1411881"	120.709570666667	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H+2Na"	46.985712
"1443026"	362.155746	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H+HCOOH"	47.012746
"228225"	343.16524	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+3H2O+2H"	56.04448
"1520660"	376.20779	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+IsoProp+H"	61.06479
"420715"	346.119188	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+Na+K"	61.952376
"782802"	503.690688	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+Na+K"	61.952376
"1676578"	188.547688	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Na+K"	61.952376
"262741"	694.301768	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+ACN+Na"	64.015768
"1234720"	379.158768	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+ACN+Na"	64.015768
"1723239"	379.182293	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+NH4+HCOOH"	64.039293
"1186770"	128.036884666667	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+3Na"	68.967654
"1659943"	384.137688	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Na+HCOOH"	68.994688
"163523"	707.20504	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+2K-H"	76.91904
"606366"	1022.34804	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+2K-H"	76.91904
"1094160"	392.06204	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2K-H"	76.91904
"146601"	354.106158	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"2M+2K"	77.926316
"585068"	511.677658	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"3M+2K"	77.926316
"1076140"	196.534658	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2K"	77.926316
"1107163"	394.076592	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2K+H"	78.933592
"1339173"	394.164207	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+DMSO+H"	79.021207
"1018642"	398.203376	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2ACN+H"	83.060376
"1532395"	399.197008	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+IsoProp+Na+H"	84.054008
"1002123"	199.605326	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+2ACN+2H"	84.067652
"1599907"	400.111628	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+K+HCOOH"	84.968628
"1429578"	430.143138	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+H+CF3COOH"	115.000138
"1162173"	220.118601	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+3ACN+2H"	125.094202
"1709779"	447.169685	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+NH4+CF3COOH"	132.026685
"1648709"	452.12508	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+Na+CF3COOH"	136.98208
"1572695"	468.09902	"C17364"	"Clavamycin D"	"C13H21N3O6"	"315.143"	"M+K+CF3COOH"	152.95602
"807072"	287.1117	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M"	0
"987167"	268.09331	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-H2O-H"	-19.01839
"77484"	190.400524	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M-3H"	-3.021828
"512792"	286.104424	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M-3H"	-3.021828
"891686"	94.696624	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-3H"	-3.021828
"10261"	286.104424	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M-2H"	-2.014552
"443261"	429.660274	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M-2H"	-2.014552
"821427"	142.548574	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-2H"	-2.014552
"80930"	573.216124	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M-H"	-1.007276
"522072"	860.327824	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M-H"	-1.007276
"897928"	286.104424	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-H"	-1.007276
"48051"	590.242671	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M-2H+NH4"	16.019271
"488706"	877.354371	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M-2H+NH4"	16.019271
"867116"	303.130971	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-2H+NH4"	16.019271
"33436"	595.198066	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M-2H+Na"	20.974666
"471900"	882.309766	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M-2H+Na"	20.974666
"850192"	308.086366	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-2H+Na"	20.974666
"1621670"	308.086366	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Na-2H"	20.974666
"102574"	304.092763	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M-H+Cl"	33.962126
"543228"	447.648613	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M-H+Cl"	33.962126
"941118"	160.536913	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-H+Cl"	33.962126
"282354"	609.192802	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+Cl"	34.969402
"671006"	896.304502	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+Cl"	34.969402
"1287543"	322.081102	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Cl"	34.969402
"28153"	611.172006	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M-2H+K"	36.948606
"470266"	898.283706	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M-2H+K"	36.948606
"846609"	324.060306	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-2H+K"	36.948606
"1566817"	324.060306	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+K-2H"	36.948606
"953608"	332.109894	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-H+HCOOH"	44.998194
"375842"	619.221601	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+HCOOH-H"	44.998201
"360339"	633.237251	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+Hac-H"	59.013851
"1508079"	346.125551	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Hac-H"	59.013851
"973676"	354.091851	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-H+NaCOOH"	66.980151
"124890"	322.081102	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+2Cl"	69.938804
"564571"	465.636952	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+2Cl"	69.938804
"1029359"	178.525252	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2Cl"	69.938804
"1255500"	366.030585	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Br"	78.918885
"1312479"	368.086572	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Cl+HCOOH"	80.974872
"1331070"	390.068529	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Cl+NaCOOH"	102.956829
"923221"	400.097286	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M-H+CF3COOH"	112.985586
"1301754"	436.073964	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Cl+CF3COOH"	148.962264
"1382467"	252.099024	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H-2H2O"	-35.012676
"1395590"	270.109	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H-H2O"	-17.0027
"297463"	575.230676	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+H"	1.007276
"690255"	862.342376	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+H"	1.007276
"1366602"	288.118976	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H"	1.007276
"140470"	288.118976	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+2H"	2.014552
"580637"	431.674826	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+2H"	2.014552
"1052236"	144.563126	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2H"	2.014552
"219530"	192.415076	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+3H"	3.021828
"659216"	288.118976	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+3H"	3.021828
"1178263"	96.711176	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+3H"	3.021828
"438289"	592.257223	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+NH4"	18.033823
"800878"	879.368923	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+NH4"	18.033823
"1691493"	305.145523	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+NH4"	18.033823
"344145"	296.6322495	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+H+NH4"	19.041099
"736204"	440.1880995	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+H+NH4"	19.041099
"1487108"	153.0763995	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H+NH4"	19.041099
"402507"	597.212618	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+Na"	22.989218
"764597"	884.324318	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+Na"	22.989218
"1614882"	310.100918	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Na"	22.989218
"320545"	299.109947	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+H+Na"	23.996494
"715154"	442.665797	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+H+Na"	23.996494
"1461437"	155.554097	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H+Na"	23.996494
"1061123"	104.03849	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2H+Na"	25.00377
"1261710"	320.145186	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+CH3OH+H"	33.033486
"386482"	613.186558	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+K"	38.963158
"742373"	900.298258	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+K"	38.963158
"1545518"	326.074858	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+K"	38.963158
"300141"	307.096917	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+H+K"	39.970434
"697303"	450.652767	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+H+K"	39.970434
"1456594"	163.541067	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H+K"	39.970434
"244105"	616.257226	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+ACN+H"	42.033826
"1219002"	329.145526	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+ACN+H"	42.033826
"1206166"	165.076401	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+ACN+2H"	43.041102
"202320"	619.19456	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+2Na-H"	44.97116
"639693"	906.30626	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+2Na-H"	44.97116
"1145020"	332.08286	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2Na-H"	44.97116
"186487"	310.100918	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+2Na"	45.978436
"622407"	453.656768	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+2Na"	45.978436
"1124091"	166.545068	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2Na"	45.978436
"1408709"	111.365804	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H+2Na"	46.985712
"1437544"	334.124446	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H+HCOOH"	47.012746
"230520"	315.13394	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+3H2O+2H"	56.04448
"1520770"	348.17649	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+IsoProp+H"	61.06479
"421189"	318.087888	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+Na+K"	61.952376
"782546"	461.643738	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+Na+K"	61.952376
"1676688"	174.532038	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Na+K"	61.952376
"259936"	638.239168	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+ACN+Na"	64.015768
"1233737"	351.127468	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+ACN+Na"	64.015768
"1722620"	351.150993	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+NH4+HCOOH"	64.039293
"1185787"	118.693118	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+3Na"	68.967654
"1660053"	356.106388	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Na+HCOOH"	68.994688
"163633"	651.14244	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+2K-H"	76.91904
"607206"	938.25414	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+2K-H"	76.91904
"1092083"	364.03074	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2K-H"	76.91904
"145618"	326.074858	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"2M+2K"	77.926316
"587366"	469.630708	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"3M+2K"	77.926316
"1074064"	182.519008	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2K"	77.926316
"1105087"	366.045292	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2K+H"	78.933592
"1338554"	366.132907	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+DMSO+H"	79.021207
"1019724"	370.172076	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2ACN+H"	83.060376
"1535785"	371.165708	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+IsoProp+Na+H"	84.054008
"1002233"	185.589676	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+2ACN+2H"	84.067652
"1600017"	372.080328	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+K+HCOOH"	84.968628
"1429651"	402.111838	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+H+CF3COOH"	115.000138
"1162612"	206.102951	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+3ACN+2H"	125.094202
"1712645"	419.138385	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+NH4+CF3COOH"	132.026685
"1649833"	424.09378	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+Na+CF3COOH"	136.98208
"1572077"	440.06772	"C17365"	"Clavamycin E"	"C11H17N3O6"	"287.1117"	"M+K+CF3COOH"	152.95602
"816663"	173.0688	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M"	0
"980716"	154.05041	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-H2O-H"	-19.01839
"77714"	114.371924	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M-3H"	-3.021828
"515089"	172.061524	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M-3H"	-3.021828
"895075"	56.682324	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-3H"	-3.021828
"7090"	172.061524	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M-2H"	-2.014552
"444465"	258.595924	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M-2H"	-2.014552
"823360"	85.527124	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-2H"	-2.014552
"83352"	345.130324	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M-H"	-1.007276
"522912"	518.199124	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M-H"	-1.007276
"897308"	172.061524	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-H"	-1.007276
"48039"	362.156871	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M-2H+NH4"	16.019271
"496839"	535.225671	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M-2H+NH4"	16.019271
"868079"	189.088071	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-2H+NH4"	16.019271
"33793"	367.112266	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M-2H+Na"	20.974666
"477728"	540.181066	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M-2H+Na"	20.974666
"856623"	194.043466	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-2H+Na"	20.974666
"1629437"	194.043466	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Na-2H"	20.974666
"102685"	190.049863	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M-H+Cl"	33.962126
"543338"	276.584263	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M-H+Cl"	33.962126
"941228"	103.515463	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-H+Cl"	33.962126
"277600"	381.107002	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+Cl"	34.969402
"674153"	554.175802	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+Cl"	34.969402
"1287531"	208.038202	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Cl"	34.969402
"24985"	383.086206	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M-2H+K"	36.948606
"467824"	556.155006	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M-2H+K"	36.948606
"845626"	210.017406	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-2H+K"	36.948606
"1561459"	210.017406	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+K-2H"	36.948606
"953718"	218.066994	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-H+HCOOH"	44.998194
"375950"	391.135801	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+HCOOH-H"	44.998201
"361364"	405.151451	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+Hac-H"	59.013851
"1508300"	232.082651	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Hac-H"	59.013851
"974098"	240.048951	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-H+NaCOOH"	66.980151
"125366"	208.038202	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+2Cl"	69.938804
"565653"	294.572602	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+2Cl"	69.938804
"1031656"	121.503802	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2Cl"	69.938804
"1256706"	251.987685	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Br"	78.918885
"1319149"	254.043672	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Cl+HCOOH"	80.974872
"1334460"	276.025629	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Cl+NaCOOH"	102.956829
"925518"	286.054386	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M-H+CF3COOH"	112.985586
"1304054"	322.031064	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Cl+CF3COOH"	148.962264
"1382501"	138.056124	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H-2H2O"	-35.012676
"1398211"	156.0661	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H-H2O"	-17.0027
"296845"	347.144876	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+H"	1.007276
"690976"	520.213676	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+H"	1.007276
"1366311"	174.076076	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H"	1.007276
"140701"	174.076076	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+2H"	2.014552
"580506"	260.610476	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+2H"	2.014552
"1052700"	87.541676	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2H"	2.014552
"219928"	116.386476	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+3H"	3.021828
"659772"	174.076076	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+3H"	3.021828
"1177808"	58.696876	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+3H"	3.021828
"437547"	364.171423	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+NH4"	18.033823
"801301"	537.240223	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+NH4"	18.033823
"1696794"	191.102623	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+NH4"	18.033823
"343892"	182.5893495	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+H+NH4"	19.041099
"737410"	269.1237495	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+H+NH4"	19.041099
"1490864"	96.0549495	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H+NH4"	19.041099
"407356"	369.126818	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+Na"	22.989218
"767988"	542.195618	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+Na"	22.989218
"1613899"	196.058018	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Na"	22.989218
"317375"	185.067047	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+H+Na"	23.996494
"717454"	271.601447	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+H+Na"	23.996494
"1470178"	98.532647	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H+Na"	23.996494
"1061235"	66.02419	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2H+Na"	25.00377
"1262914"	206.102286	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+CH3OH+H"	33.033486
"383676"	385.100758	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+K"	38.963158
"744670"	558.169558	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+K"	38.963158
"1545628"	212.031958	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+K"	38.963158
"302074"	193.054017	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+H+K"	39.970434
"694132"	279.588417	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+H+K"	39.970434
"1456705"	106.519617	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H+K"	39.970434
"247495"	388.171426	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+ACN+H"	42.033826
"1219112"	215.102626	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+ACN+H"	42.033826
"1207369"	108.054951	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+ACN+2H"	43.041102
"203521"	391.10876	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+2Na-H"	44.97116
"638709"	564.17756	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+2Na-H"	44.97116
"1143308"	218.03996	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2Na-H"	44.97116
"185506"	196.058018	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+2Na"	45.978436
"626163"	282.592418	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+2Na"	45.978436
"1128576"	109.523618	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2Na"	45.978436
"1412100"	73.351504	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H+2Na"	46.985712
"1438749"	220.081546	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H+HCOOH"	47.012746
"231724"	201.09104	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+3H2O+2H"	56.04448
"1522583"	234.13359	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+IsoProp+H"	61.06479
"422514"	204.044988	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+Na+K"	61.952376
"783753"	290.579388	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+Na+K"	61.952376
"1678626"	117.510588	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Na+K"	61.952376
"261139"	410.153368	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+ACN+Na"	64.015768
"1236036"	237.084568	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+ACN+Na"	64.015768
"1724916"	237.108093	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+NH4+HCOOH"	64.039293
"1189175"	80.678818	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+3Na"	68.967654
"1659070"	242.063488	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Na+HCOOH"	68.994688
"164835"	423.05664	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+2K-H"	76.91904
"609503"	596.12544	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+2K-H"	76.91904
"1095471"	249.98784	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2K-H"	76.91904
"149009"	212.031958	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"2M+2K"	77.926316
"589663"	298.566358	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"3M+2K"	77.926316
"1073081"	125.497558	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2K"	77.926316
"1106290"	252.002392	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2K+H"	78.933592
"1338300"	252.090007	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+DMSO+H"	79.021207
"1017768"	256.129176	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2ACN+H"	83.060376
"1538571"	257.122808	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+IsoProp+Na+H"	84.054008
"1004167"	128.568226	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+2ACN+2H"	84.067652
"1602403"	258.037428	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+K+HCOOH"	84.968628
"1429681"	288.068938	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+H+CF3COOH"	115.000138
"1162238"	149.081501	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+3ACN+2H"	125.094202
"1712515"	305.095485	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+NH4+CF3COOH"	132.026685
"1649744"	310.05088	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+Na+CF3COOH"	136.98208
"1572916"	326.02482	"C17366"	"(2S5S)-trans-Carboxymethylproline;(2S5S)-5-Carboxymethylproline"	"C7H11NO4"	"173.0688"	"M+K+CF3COOH"	152.95602
"807292"	155.0582	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M"	0
"984105"	136.03981	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-H2O-H"	-19.01839
"66882"	102.364857333333	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M-3H"	-3.021828
"510818"	154.050924	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M-3H"	-3.021828
"888623"	50.6787906666667	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-3H"	-3.021828
"12665"	154.050924	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M-2H"	-2.014552
"452226"	231.580024	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M-2H"	-2.014552
"827840"	76.521824	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-2H"	-2.014552
"86742"	309.109124	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M-H"	-1.007276
"524114"	464.167324	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M-H"	-1.007276
"897296"	154.050924	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-H"	-1.007276
"51917"	326.135671	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M-2H+NH4"	16.019271
"495127"	481.193871	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M-2H+NH4"	16.019271
"866003"	171.077471	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-2H+NH4"	16.019271
"37184"	331.091066	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M-2H+Na"	20.974666
"477838"	486.149266	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M-2H+Na"	20.974666
"855640"	176.032866	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-2H+Na"	20.974666
"1628454"	176.032866	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Na-2H"	20.974666
"102795"	172.039263	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M-H+Cl"	33.962126
"540168"	249.568363	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M-H+Cl"	33.962126
"940245"	94.510163	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-H+Cl"	33.962126
"274430"	345.085802	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+Cl"	34.969402
"667944"	500.144002	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+Cl"	34.969402
"1288006"	190.027602	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Cl"	34.969402
"25095"	347.065006	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M-2H+K"	36.948606
"467934"	502.123206	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M-2H+K"	36.948606
"846587"	192.006806	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-2H+K"	36.948606
"1560476"	192.006806	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+K-2H"	36.948606
"953828"	200.056394	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-H+HCOOH"	44.998194
"376060"	355.114601	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+HCOOH-H"	44.998201
"361134"	369.130251	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+Hac-H"	59.013851
"1508309"	214.072051	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Hac-H"	59.013851
"974022"	222.038351	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-H+NaCOOH"	66.980151
"125635"	190.027602	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+2Cl"	69.938804
"565637"	267.556702	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+2Cl"	69.938804
"1031766"	112.498502	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2Cl"	69.938804
"1257025"	233.977085	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Br"	78.918885
"1318166"	236.033072	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Cl+HCOOH"	80.974872
"1333477"	258.015029	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Cl+NaCOOH"	102.956829
"925628"	268.043786	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M-H+CF3COOH"	112.985586
"1303067"	304.020464	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Cl+CF3COOH"	148.962264
"1382614"	120.045524	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H-2H2O"	-35.012676
"1397997"	138.0555	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H-H2O"	-17.0027
"298295"	311.123676	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+H"	1.007276
"690804"	466.181876	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+H"	1.007276
"1365368"	156.065476	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H"	1.007276
"140812"	156.065476	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+2H"	2.014552
"580373"	233.594576	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+2H"	2.014552
"1052089"	78.536376	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2H"	2.014552
"219382"	104.379409333333	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+3H"	3.021828
"659676"	156.065476	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+3H"	3.021828
"1178161"	52.6933426666667	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+3H"	3.021828
"435469"	328.150223	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+NH4"	18.033823
"801018"	483.208423	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+NH4"	18.033823
"1695850"	173.092023	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+NH4"	18.033823
"344980"	164.5787495	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+H+NH4"	19.041099
"736427"	242.1078495	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+H+NH4"	19.041099
"1491465"	87.0496495	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H+NH4"	19.041099
"406007"	333.105618	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+Na"	22.989218
"768097"	488.163818	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+Na"	22.989218
"1614010"	178.047418	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Na"	22.989218
"317485"	167.056447	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+H+Na"	23.996494
"715378"	244.585547	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+H+Na"	23.996494
"1469195"	89.527347	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H+Na"	23.996494
"1059158"	60.0206566666667	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2H+Na"	25.00377
"1261201"	188.091686	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+CH3OH+H"	33.033486
"381600"	349.079558	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+K"	38.963158
"745874"	504.137758	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+K"	38.963158
"1543551"	194.021358	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+K"	38.963158
"303278"	175.043417	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+H+K"	39.970434
"694242"	252.572517	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+H+K"	39.970434
"1456815"	97.514317	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H+K"	39.970434
"244325"	352.150226	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+ACN+H"	42.033826
"1219222"	197.092026	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+ACN+H"	42.033826
"1207479"	99.049651	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+ACN+2H"	43.041102
"202537"	355.08756	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+2Na-H"	44.97116
"638819"	510.14576	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+2Na-H"	44.97116
"1146335"	200.02936	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2Na-H"	44.97116
"186710"	178.047418	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+2Na"	45.978436
"625910"	255.576518	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+2Na"	45.978436
"1129779"	100.518318	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2Na"	45.978436
"1412210"	67.3479706666667	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H+2Na"	46.985712
"1438859"	202.070946	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H+HCOOH"	47.012746
"234021"	183.08044	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+3H2O+2H"	56.04448
"1517710"	216.12299	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+IsoProp+H"	61.06479
"420678"	186.034388	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+Na+K"	61.952376
"783860"	263.563488	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+Na+K"	61.952376
"1680193"	108.505288	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Na+K"	61.952376
"261978"	374.132168	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+ACN+Na"	64.015768
"1237239"	219.073968	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+ACN+Na"	64.015768
"1724662"	219.097493	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+NH4+HCOOH"	64.039293
"1187100"	74.6752846666667	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+3Na"	68.967654
"1659180"	224.052888	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Na+HCOOH"	68.994688
"167132"	387.03544	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+2K-H"	76.91904
"609977"	542.09364	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+2K-H"	76.91904
"1095581"	231.97724	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2K-H"	76.91904
"151306"	194.021358	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"2M+2K"	77.926316
"587586"	271.550458	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"3M+2K"	77.926316
"1073191"	116.492258	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2K"	77.926316
"1106400"	233.991792	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2K+H"	78.933592
"1338531"	234.079407	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+DMSO+H"	79.021207
"1017878"	238.118576	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2ACN+H"	83.060376
"1539414"	239.112208	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+IsoProp+Na+H"	84.054008
"1005497"	119.562926	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+2ACN+2H"	84.067652
"1602553"	240.026828	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+K+HCOOH"	84.968628
"1429706"	270.058338	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+H+CF3COOH"	115.000138
"1162591"	140.076201	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+3ACN+2H"	125.094202
"1712671"	287.084885	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+NH4+CF3COOH"	132.026685
"1649854"	292.04028	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+Na+CF3COOH"	136.98208
"1573026"	308.01422	"C17367"	"(3S5S)-Carbapenam-3-carboxylic acid;(3S5S)-Carbapenam-3-carboxylate"	"C7H9NO3"	"155.0582"	"M+K+CF3COOH"	152.95602
"808495"	256.0882	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M"	0
"980935"	237.06981	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-H2O-H"	-19.01839
"66992"	169.718190666667	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M-3H"	-3.021828
"507649"	255.080924	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M-3H"	-3.021828
"888733"	84.3554573333333	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-3H"	-3.021828
"9495"	255.080924	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M-2H"	-2.014552
"449057"	383.125024	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M-2H"	-2.014552
"825764"	127.036824	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-2H"	-2.014552
"86852"	511.169124	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M-H"	-1.007276
"523131"	767.257324	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M-H"	-1.007276
"896922"	255.080924	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-H"	-1.007276
"52027"	528.195671	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M-2H+NH4"	16.019271
"489403"	784.283871	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M-2H+NH4"	16.019271
"866112"	272.107471	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-2H+NH4"	16.019271
"39482"	533.151066	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M-2H+Na"	20.974666
"474668"	789.239266	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M-2H+Na"	20.974666
"855750"	277.062866	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-2H+Na"	20.974666
"1623096"	277.062866	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Na-2H"	20.974666
"99625"	273.069263	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M-H+Cl"	33.962126
"534645"	401.113363	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M-H+Cl"	33.962126
"937074"	145.025163	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-H+Cl"	33.962126
"274539"	547.145802	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+Cl"	34.969402
"664772"	803.234002	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+Cl"	34.969402
"1276084"	291.057602	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Cl"	34.969402
"28482"	549.125006	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M-2H+K"	36.948606
"466951"	805.213206	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M-2H+K"	36.948606
"843659"	293.036806	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-2H+K"	36.948606
"1560586"	293.036806	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+K-2H"	36.948606
"951751"	301.086394	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-H+HCOOH"	44.998194
"375076"	557.174601	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+HCOOH-H"	44.998201
"361236"	571.190251	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+Hac-H"	59.013851
"1508337"	315.102051	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Hac-H"	59.013851
"974006"	323.068351	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-H+NaCOOH"	66.980151
"125586"	291.057602	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+2Cl"	69.938804
"565628"	419.101702	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+2Cl"	69.938804
"1035156"	163.013502	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+2Cl"	69.938804
"1256561"	335.007085	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Br"	78.918885
"1318642"	337.063072	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Cl+HCOOH"	80.974872
"1333587"	359.045029	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Cl+NaCOOH"	102.956829
"925010"	369.073786	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M-H+CF3COOH"	112.985586
"1301355"	405.050464	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Cl+CF3COOH"	148.962264
"1378422"	221.075524	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+H-2H2O"	-35.012676
"1398067"	239.0855	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+H-H2O"	-17.0027
"297435"	513.183676	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+H"	1.007276
"690953"	769.271876	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+H"	1.007276
"1366920"	257.095476	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+H"	1.007276
"140556"	257.095476	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+2H"	2.014552
"580602"	385.139576	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+2H"	2.014552
"1052554"	129.051376	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+2H"	2.014552
"219724"	171.732742666667	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+3H"	3.021828
"659899"	257.095476	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+3H"	3.021828
"1176317"	86.3700093333333	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+3H"	3.021828
"433392"	530.210223	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+NH4"	18.033823
"799140"	786.298423	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+NH4"	18.033823
"1695471"	274.122023	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+NH4"	18.033823
"344112"	265.6087495	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+H+NH4"	19.041099
"735443"	393.6528495	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+H+NH4"	19.041099
"1490358"	137.5646495	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+H+NH4"	19.041099
"405025"	535.165618	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+Na"	22.989218
"767478"	791.253818	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+Na"	22.989218
"1613027"	279.077418	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Na"	22.989218
"323062"	268.086447	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+H+Na"	23.996494
"710016"	396.130547	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+H+Na"	23.996494
"1466025"	140.042347	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+H+Na"	23.996494
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"1262040"	289.121686	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+CH3OH+H"	33.033486
"381709"	551.139558	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+K"	38.963158
"741610"	807.227758	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+K"	38.963158
"1543661"	295.051358	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+K"	38.963158
"300472"	276.073417	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+H+K"	39.970434
"694352"	404.117517	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+H+K"	39.970434
"1453644"	148.029317	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+H+K"	39.970434
"245528"	554.210226	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+ACN+H"	42.033826
"1218238"	298.122026	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+ACN+H"	42.033826
"1205402"	149.564651	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+ACN+2H"	43.041102
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"187187"	279.077418	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+2Na"	45.978436
"625290"	407.121518	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+2Na"	45.978436
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"1437876"	303.100946	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+H+HCOOH"	47.012746
"231944"	284.11044	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+3H2O+2H"	56.04448
"1520007"	317.15299	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+IsoProp+H"	61.06479
"421517"	287.064388	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+Na+K"	61.952376
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"1678847"	159.020288	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Na+K"	61.952376
"266096"	576.192168	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+ACN+Na"	64.015768
"1238442"	320.103968	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+ACN+Na"	64.015768
"1724043"	320.127493	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+NH4+HCOOH"	64.039293
"1186116"	108.351951333333	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+3Na"	68.967654
"1660383"	325.082888	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+Na+HCOOH"	68.994688
"167242"	589.09544	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+2K-H"	76.91904
"610088"	845.18364	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+2K-H"	76.91904
"1094598"	333.00724	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+2K-H"	76.91904
"150323"	295.051358	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"2M+2K"	77.926316
"586603"	423.095458	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"3M+2K"	77.926316
"1074394"	167.007258	"C17368"	"8-Dehydroxythienamycin;8-Deshydroxythienamycin;Deshydroxythienamycin;NS-5"	"C11H16N2O3S"	"256.0882"	"M+2K"	77.926316
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"807512"	258.0674	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M"	0
"981045"	239.04901	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-H2O-H"	-19.01839
"68195"	171.037657333333	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M-3H"	-3.021828
"507759"	257.060124	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M-3H"	-3.021828
"892123"	85.0151906666667	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-3H"	-3.021828
"8510"	257.060124	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M-2H"	-2.014552
"448071"	386.093824	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M-2H"	-2.014552
"827696"	128.026424	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-2H"	-2.014552
"85866"	515.127524	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M-H"	-1.007276
"524333"	773.194924	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M-H"	-1.007276
"898489"	257.060124	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-H"	-1.007276
"49584"	532.154071	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M-2H+NH4"	16.019271
"489146"	790.221471	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M-2H+NH4"	16.019271
"868407"	274.086671	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-2H+NH4"	16.019271
"39592"	537.109466	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M-2H+Na"	20.974666
"475142"	795.176866	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M-2H+Na"	20.974666
"855860"	279.042066	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-2H+Na"	20.974666
"1623206"	279.042066	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Na-2H"	20.974666
"99735"	275.048463	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M-H+Cl"	33.962126
"537104"	404.082163	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M-H+Cl"	33.962126
"931352"	146.014763	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-H+Cl"	33.962126
"271730"	551.104202	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+Cl"	34.969402
"665610"	809.171602	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+Cl"	34.969402
"1275825"	293.036802	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Cl"	34.969402
"16923"	553.083406	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M-2H+K"	36.948606
"460497"	811.150806	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M-2H+K"	36.948606
"835384"	295.016006	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-2H+K"	36.948606
"1560696"	295.016006	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+K-2H"	36.948606
"944203"	303.065594	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-H+HCOOH"	44.998194
"374454"	561.133001	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+HCOOH-H"	44.998201
"355056"	575.148651	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+Hac-H"	59.013851
"1506812"	317.081251	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Hac-H"	59.013851
"973906"	325.047551	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-H+NaCOOH"	66.980151
"124844"	293.036802	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+2Cl"	69.938804
"565008"	422.070502	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+2Cl"	69.938804
"1029799"	164.003102	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2Cl"	69.938804
"1252660"	336.986285	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Br"	78.918885
"1312920"	339.042272	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Cl+HCOOH"	80.974872
"1323854"	361.024229	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Cl+NaCOOH"	102.956829
"916005"	371.052986	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M-H+CF3COOH"	112.985586
"1290160"	407.029664	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Cl+CF3COOH"	148.962264
"1378530"	223.054724	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H-2H2O"	-35.012676
"1391653"	241.0647	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H-H2O"	-17.0027
"296445"	517.142076	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+H"	1.007276
"688501"	775.209476	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+H"	1.007276
"1365577"	259.074676	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H"	1.007276
"141105"	259.074676	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+2H"	2.014552
"579850"	388.108376	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+2H"	2.014552
"1051691"	130.040976	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2H"	2.014552
"217282"	173.052209333333	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+3H"	3.021828
"659439"	259.074676	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+3H"	3.021828
"1178096"	87.0297426666667	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+3H"	3.021828
"431316"	534.168623	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+NH4"	18.033823
"795594"	792.236023	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+NH4"	18.033823
"1695216"	276.101223	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+NH4"	18.033823
"343127"	267.5879495	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+H+NH4"	19.041099
"735547"	396.6216495	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+H+NH4"	19.041099
"1490464"	138.5542495	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H+NH4"	19.041099
"406226"	539.124018	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+Na"	22.989218
"762848"	797.191418	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+Na"	22.989218
"1614592"	281.056618	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Na"	22.989218
"327912"	270.065647	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+H+Na"	23.996494
"713405"	399.099347	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+H+Na"	23.996494
"1461510"	141.031947	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H+Na"	23.996494
"1057191"	94.3570566666667	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2H+Na"	25.00377
"1262148"	291.100886	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+CH3OH+H"	33.033486
"378537"	555.097958	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+K"	38.963158
"742810"	813.165358	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+K"	38.963158
"1540851"	297.030558	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+K"	38.963158
"300578"	278.052617	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+H+K"	39.970434
"695191"	407.086317	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+H+K"	39.970434
"1451930"	149.018917	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H+K"	39.970434
"238345"	558.168626	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+ACN+H"	42.033826
"1212268"	300.101226	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+ACN+H"	42.033826
"1198584"	150.554251	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+ACN+2H"	43.041102
"198383"	561.10596	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+2Na-H"	44.97116
"637943"	819.17336	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+2Na-H"	44.97116
"1138170"	303.03856	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2Na-H"	44.97116
"179636"	281.056618	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+2Na"	45.978436
"624666"	410.090318	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+2Na"	45.978436
"1125624"	152.022918	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2Na"	45.978436
"1408418"	101.684370666667	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H+2Na"	46.985712
"1436891"	305.080146	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H+HCOOH"	47.012746
"225494"	286.08964	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+3H2O+2H"	56.04448
"1516834"	319.13219	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+IsoProp+H"	61.06479
"413241"	289.043588	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+Na+K"	61.952376
"779705"	418.077288	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+Na+K"	61.952376
"1673849"	160.009888	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Na+K"	61.952376
"257088"	580.150568	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+ACN+Na"	64.015768
"1235265"	322.083168	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+ACN+Na"	64.015768
"1718684"	322.106693	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+NH4+HCOOH"	64.039293
"1185131"	109.011684666667	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+3Na"	68.967654
"1653201"	327.062088	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Na+HCOOH"	68.994688
"159332"	593.05384	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+2K-H"	76.91904
"603634"	851.12124	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+2K-H"	76.91904
"1087052"	334.98644	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2K-H"	76.91904
"146057"	297.030558	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"2M+2K"	77.926316
"582821"	426.064258	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"3M+2K"	77.926316
"1068907"	167.996858	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2K"	77.926316
"1100660"	337.000992	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2K+H"	78.933592
"1336191"	337.088607	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+DMSO+H"	79.021207
"1010441"	341.127776	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2ACN+H"	83.060376
"1534037"	342.121408	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+IsoProp+Na+H"	84.054008
"996109"	171.067526	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+2ACN+2H"	84.067652
"1596083"	343.036028	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+K+HCOOH"	84.968628
"1421742"	373.067538	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+H+CF3COOH"	115.000138
"1157496"	191.580801	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+3ACN+2H"	125.094202
"1704859"	390.094085	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+NH4+CF3COOH"	132.026685
"1639416"	395.04948	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+Na+CF3COOH"	136.98208
"1573246"	411.02342	"C17369"	"Northienamycin"	"C10H14N2O4S"	"258.0674"	"M+K+CF3COOH"	152.95602
"807622"	298.0987	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M"	0
"981155"	279.08031	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-H2O-H"	-19.01839
"70492"	197.725190666667	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M-3H"	-3.021828
"511149"	297.091424	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M-3H"	-3.021828
"892233"	98.3589573333333	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-3H"	-3.021828
"11900"	297.091424	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M-2H"	-2.014552
"449275"	446.140774	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M-2H"	-2.014552
"827078"	148.042074	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-2H"	-2.014552
"87071"	595.190124	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M-H"	-1.007276
"525537"	893.288824	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M-H"	-1.007276
"899327"	297.091424	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-H"	-1.007276
"50058"	612.216671	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M-2H+NH4"	16.019271
"489741"	910.315371	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M-2H+NH4"	16.019271
"869611"	314.117971	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-2H+NH4"	16.019271
"37514"	617.172066	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M-2H+Na"	20.974666
"478168"	915.270766	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M-2H+Na"	20.974666
"855970"	319.073366	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-2H+Na"	20.974666
"1623316"	319.073366	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Na-2H"	20.974666
"99845"	315.079763	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M-H+Cl"	33.962126
"537214"	464.129113	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M-H+Cl"	33.962126
"936201"	166.030413	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-H+Cl"	33.962126
"271479"	631.166802	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+Cl"	34.969402
"667179"	929.265502	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+Cl"	34.969402
"1277392"	333.068102	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Cl"	34.969402
"19949"	633.146006	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M-2H+K"	36.948606
"456223"	931.244706	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M-2H+K"	36.948606
"835128"	335.047306	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-2H+K"	36.948606
"1557881"	335.047306	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+K-2H"	36.948606
"944672"	343.096894	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-H+HCOOH"	44.998194
"376025"	641.195601	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+HCOOH-H"	44.998201
"354073"	655.211251	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+Hac-H"	59.013851
"1506801"	357.112551	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Hac-H"	59.013851
"971911"	365.078851	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-H+NaCOOH"	66.980151
"125439"	333.068102	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+2Cl"	69.938804
"564633"	482.117452	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+2Cl"	69.938804
"1028816"	184.018752	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2Cl"	69.938804
"1252770"	377.017585	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Br"	78.918885
"1313030"	379.073572	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Cl+HCOOH"	80.974872
"1320926"	401.055529	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Cl+NaCOOH"	102.956829
"916115"	411.084286	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M-H+CF3COOH"	112.985586
"1292093"	447.060964	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Cl+CF3COOH"	148.962264
"1375360"	263.086024	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H-2H2O"	-35.012676
"1386295"	281.096	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H-H2O"	-17.0027
"295461"	597.204676	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+H"	1.007276
"689341"	895.303376	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+H"	1.007276
"1365323"	299.105976	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H"	1.007276
"139675"	299.105976	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+2H"	2.014552
"579596"	448.155326	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+2H"	2.014552
"1050587"	150.056626	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2H"	2.014552
"219422"	199.739742666667	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+3H"	3.021828
"658413"	299.105976	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+3H"	3.021828
"1178289"	100.373509333333	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+3H"	3.021828
"433613"	614.231223	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+NH4"	18.033823
"794611"	912.329923	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+NH4"	18.033823
"1693868"	316.132523	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+NH4"	18.033823
"344329"	307.6192495	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+H+NH4"	19.041099
"736750"	456.6685995	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+H+NH4"	19.041099
"1488751"	158.5698995	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H+NH4"	19.041099
"404150"	619.186618	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+Na"	22.989218
"765145"	917.285318	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+Na"	22.989218
"1612879"	321.087918	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Na"	22.989218
"323281"	310.096947	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+H+Na"	23.996494
"713515"	459.146297	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+H+Na"	23.996494
"1461742"	161.047597	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H+Na"	23.996494
"1055479"	107.700823333333	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2H+Na"	25.00377
"1260072"	331.132186	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+CH3OH+H"	33.033486
"379375"	635.160558	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+K"	38.963158
"742920"	933.259258	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+K"	38.963158
"1540961"	337.061858	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+K"	38.963158
"300202"	318.083917	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+H+K"	39.970434
"695301"	467.133267	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+H+K"	39.970434
"1451676"	169.034567	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H+K"	39.970434
"236995"	638.231226	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+ACN+H"	42.033826
"1211039"	340.132526	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+ACN+H"	42.033826
"1199424"	170.569901	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+ACN+2H"	43.041102
"196305"	641.16856	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+2Na-H"	44.97116
"636960"	939.26726	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+2Na-H"	44.97116
"1142655"	343.06986	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2Na-H"	44.97116
"179017"	321.087918	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+2Na"	45.978436
"623318"	470.137268	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+2Na"	45.978436
"1124643"	172.038568	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2Na"	45.978436
"1407801"	115.028137333333	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H+2Na"	46.985712
"1434814"	345.111446	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H+HCOOH"	47.012746
"224510"	326.12094	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+3H2O+2H"	56.04448
"1514757"	359.16349	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+IsoProp+H"	61.06479
"414444"	329.074888	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+Na+K"	61.952376
"777627"	478.124238	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+Na+K"	61.952376
"1672866"	180.025538	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Na+K"	61.952376
"256469"	660.213168	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+ACN+Na"	64.015768
"1230269"	362.114468	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+ACN+Na"	64.015768
"1717334"	362.137993	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+NH4+HCOOH"	64.039293
"1180135"	122.355451333333	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+3Na"	68.967654
"1651487"	367.093388	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Na+HCOOH"	68.994688
"159076"	673.11644	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+2K-H"	76.91904
"602651"	971.21514	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+2K-H"	76.91904
"1091902"	375.01774	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2K-H"	76.91904
"144344"	337.061858	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"2M+2K"	77.926316
"582809"	486.111208	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"3M+2K"	77.926316
"1069873"	188.012508	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2K"	77.926316
"1101016"	377.032292	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2K+H"	78.933592
"1336303"	377.119907	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+DMSO+H"	79.021207
"1007392"	381.159076	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2ACN+H"	83.060376
"1533053"	382.152708	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+IsoProp+Na+H"	84.054008
"992939"	191.083176	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+2ACN+2H"	84.067652
"1597286"	383.067328	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+K+HCOOH"	84.968628
"1420759"	413.098838	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+H+CF3COOH"	115.000138
"1156512"	211.596451	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+3ACN+2H"	125.094202
"1704969"	430.125385	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+NH4+CF3COOH"	132.026685
"1639526"	435.08078	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+Na+CF3COOH"	136.98208
"1571452"	451.05472	"C17370"	"PS-5;Antibiotic PS 5"	"C13H18N2O4S"	"298.0987"	"M+K+CF3COOH"	152.95602
"807732"	312.1144	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M"	0
"981265"	293.09601	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-H2O-H"	-19.01839
"70602"	207.068990666667	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M-3H"	-3.021828
"512352"	311.107124	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M-3H"	-3.021828
"892343"	103.030857333333	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-3H"	-3.021828
"12010"	311.107124	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M-2H"	-2.014552
"446103"	467.164324	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M-2H"	-2.014552
"822812"	155.049924	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-2H"	-2.014552
"87179"	623.221524	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M-H"	-1.007276
"525646"	935.335924	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M-H"	-1.007276
"899073"	311.107124	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-H"	-1.007276
"51262"	640.248071	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M-2H+NH4"	16.019271
"489730"	952.362471	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M-2H+NH4"	16.019271
"867290"	328.133671	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-2H+NH4"	16.019271
"32026"	645.203466	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M-2H+Na"	20.974666
"478278"	957.317866	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M-2H+Na"	20.974666
"856080"	333.089066	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-2H+Na"	20.974666
"1623426"	333.089066	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Na-2H"	20.974666
"99955"	329.095463	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M-H+Cl"	33.962126
"536958"	485.152663	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M-H+Cl"	33.962126
"936311"	173.038263	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-H+Cl"	33.962126
"271589"	659.198202	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+Cl"	34.969402
"667289"	971.312602	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+Cl"	34.969402
"1276046"	347.083802	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Cl"	34.969402
"18116"	661.177406	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M-2H+K"	36.948606
"456821"	973.291806	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M-2H+K"	36.948606
"834873"	349.063006	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-2H+K"	36.948606
"1557263"	349.063006	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+K-2H"	36.948606
"943690"	357.112594	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-H+HCOOH"	44.998194
"374673"	669.227001	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+HCOOH-H"	44.998201
"356369"	683.242651	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+Hac-H"	59.013851
"1507765"	371.128251	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Hac-H"	59.013851
"973357"	379.094551	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-H+NaCOOH"	66.980151
"125350"	347.083802	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+2Cl"	69.938804
"565072"	503.141002	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+2Cl"	69.938804
"1027833"	191.026602	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2Cl"	69.938804
"1251786"	391.033285	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Br"	78.918885
"1313140"	393.089272	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Cl+HCOOH"	80.974872
"1322979"	415.071229	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Cl+NaCOOH"	102.956829
"916225"	425.099986	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M-H+CF3COOH"	112.985586
"1291110"	461.076664	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Cl+CF3COOH"	148.962264
"1373283"	277.101724	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H-2H2O"	-35.012676
"1390779"	295.1117	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H-H2O"	-17.0027
"293748"	625.236076	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+H"	1.007276
"688721"	937.350476	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+H"	1.007276
"1364340"	313.121676	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H"	1.007276
"140753"	313.121676	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+2H"	2.014552
"579705"	469.178876	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+2H"	2.014552
"1052751"	157.064476	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2H"	2.014552
"219958"	209.083542666667	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+3H"	3.021828
"659701"	313.121676	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+3H"	3.021828
"1178271"	105.045409333333	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+3H"	3.021828
"431536"	642.262623	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+NH4"	18.033823
"795813"	954.377023	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+NH4"	18.033823
"1695069"	330.148223	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+NH4"	18.033823
"344438"	321.6349495	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+H+NH4"	19.041099
"736860"	477.6921495	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+H+NH4"	19.041099
"1488861"	165.5777495	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H+NH4"	19.041099
"403166"	647.218018	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+Na"	22.989218
"768169"	959.332418	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+Na"	22.989218
"1614085"	335.103618	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Na"	22.989218
"325577"	324.112647	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+H+Na"	23.996494
"710345"	480.169847	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+H+Na"	23.996494
"1462217"	168.055447	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H+Na"	23.996494
"1055710"	112.372723333333	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2H+Na"	25.00377
"1261638"	345.147886	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+CH3OH+H"	33.033486
"382400"	663.191958	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+K"	38.963158
"747405"	975.306358	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+K"	38.963158
"1542895"	351.077558	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+K"	38.963158
"301165"	332.099617	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+H+K"	39.970434
"699057"	488.156817	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+H+K"	39.970434
"1452879"	176.042417	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H+K"	39.970434
"237592"	666.262626	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+ACN+H"	42.033826
"1213095"	354.148226	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+ACN+H"	42.033826
"1202449"	177.577751	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+ACN+2H"	43.041102
"198601"	669.19996	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+2Na-H"	44.97116
"636341"	981.31436	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+2Na-H"	44.97116
"1143858"	357.08556	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2Na-H"	44.97116
"180220"	335.103618	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+2Na"	45.978436
"623427"	491.160818	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+2Na"	45.978436
"1124752"	179.046418	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2Na"	45.978436
"1409367"	119.700037333333	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H+2Na"	46.985712
"1437110"	359.127146	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H+HCOOH"	47.012746
"225712"	340.13664	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+3H2O+2H"	56.04448
"1514867"	373.17919	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+IsoProp+H"	61.06479
"415647"	343.090588	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+Na+K"	61.952376
"777737"	499.147788	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+Na+K"	61.952376
"1675162"	187.033388	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Na+K"	61.952376
"259494"	688.244568	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+ACN+Na"	64.015768
"1230013"	376.130168	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+ACN+Na"	64.015768
"1717809"	376.153693	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+NH4+HCOOH"	64.039293
"1180974"	127.027351333333	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+3Na"	68.967654
"1651233"	381.109088	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Na+HCOOH"	68.994688
"158819"	701.14784	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+2K-H"	76.91904
"602759"	1013.26224	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+2K-H"	76.91904
"1087271"	389.03344	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2K-H"	76.91904
"148463"	351.077558	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"2M+2K"	77.926316
"583162"	507.134758	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"3M+2K"	77.926316
"1070834"	195.020358	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2K"	77.926316
"1102464"	391.047992	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2K+H"	78.933592
"1336535"	391.135607	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+DMSO+H"	79.021207
"1009567"	395.174776	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2ACN+H"	83.060376
"1532069"	396.168408	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+IsoProp+Na+H"	84.054008
"995235"	198.091026	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+2ACN+2H"	84.067652
"1595209"	397.083028	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+K+HCOOH"	84.968628
"1423055"	427.114538	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+H+CF3COOH"	115.000138
"1154435"	218.604301	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+3ACN+2H"	125.094202
"1701799"	444.141085	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+NH4+CF3COOH"	132.026685
"1639636"	449.09648	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+Na+CF3COOH"	136.98208
"1573102"	465.07042	"C17371"	"PS-6;Antibiotic PS 6"	"C14H20N2O4S"	"312.1144"	"M+K+CF3COOH"	152.95602
"807842"	314.0936	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M"	0
"984655"	295.07521	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-H2O-H"	-19.01839
"72899"	208.388457333333	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M-3H"	-3.021828
"510276"	313.086324	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M-3H"	-3.021828
"893547"	103.690590666667	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-3H"	-3.021828
"12122"	313.086324	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M-2H"	-2.014552
"446213"	470.133124	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M-2H"	-2.014552
"825109"	156.039524	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-2H"	-2.014552
"87289"	627.179924	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M-H"	-1.007276
"527943"	941.273524	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M-H"	-1.007276
"899183"	313.086324	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-H"	-1.007276
"53559"	644.206471	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M-2H+NH4"	16.019271
"492026"	958.300071	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M-2H+NH4"	16.019271
"867645"	330.112871	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-2H+NH4"	16.019271
"31894"	649.161866	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M-2H+Na"	20.974666
"478388"	963.255466	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M-2H+Na"	20.974666
"856190"	335.068266	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-2H+Na"	20.974666
"1623536"	335.068266	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Na-2H"	20.974666
"100065"	331.074663	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M-H+Cl"	33.962126
"536339"	488.121463	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M-H+Cl"	33.962126
"935328"	174.027863	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-H+Cl"	33.962126
"270603"	663.156602	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+Cl"	34.969402
"667399"	977.250202	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+Cl"	34.969402
"1275792"	349.063002	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Cl"	34.969402
"18710"	665.135806	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M-2H+K"	36.948606
"456448"	979.229406	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M-2H+K"	36.948606
"833197"	351.042206	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-2H+K"	36.948606
"1556115"	351.042206	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+K-2H"	36.948606
"943799"	359.091794	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-H+HCOOH"	44.998194
"371503"	673.185401	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+HCOOH-H"	44.998201
"356479"	687.201051	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+Hac-H"	59.013851
"1508194"	373.107451	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Hac-H"	59.013851
"974117"	381.073751	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-H+NaCOOH"	66.980151
"125298"	349.063002	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+2Cl"	69.938804
"564240"	506.109802	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+2Cl"	69.938804
"1035473"	192.016202	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2Cl"	69.938804
"1248613"	393.012485	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Br"	78.918885
"1312157"	395.068472	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Cl+HCOOH"	80.974872
"1323090"	417.050429	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Cl+NaCOOH"	102.956829
"916335"	427.079186	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M-H+CF3COOH"	112.985586
"1291949"	463.055864	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Cl+CF3COOH"	148.962264
"1373393"	279.080924	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H-2H2O"	-35.012676
"1394170"	297.0909	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H-H2O"	-17.0027
"296774"	629.194476	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+H"	1.007276
"688831"	943.288076	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+H"	1.007276
"1365544"	315.100876	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H"	1.007276
"139525"	315.100876	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+2H"	2.014552
"580058"	472.147676	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+2H"	2.014552
"1052146"	158.054076	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2H"	2.014552
"219890"	210.403009333333	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+3H"	3.021828
"659242"	315.100876	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+3H"	3.021828
"1178301"	105.705142666667	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+3H"	3.021828
"430552"	646.221023	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+NH4"	18.033823
"797016"	960.314623	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+NH4"	18.033823
"1694450"	332.127423	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+NH4"	18.033823
"343458"	323.6141495	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+H+NH4"	19.041099
"737338"	480.6609495	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+H+NH4"	19.041099
"1490430"	166.5673495	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H+NH4"	19.041099
"404369"	651.176418	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+Na"	22.989218
"767550"	965.270018	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+Na"	22.989218
"1616381"	337.082818	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Na"	22.989218
"324594"	326.091847	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+H+Na"	23.996494
"711548"	483.138647	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+H+Na"	23.996494
"1464275"	169.045047	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H+Na"	23.996494
"1055335"	113.032456666667	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2H+Na"	25.00377
"1261748"	347.127086	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+CH3OH+H"	33.033486
"383239"	667.150358	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+K"	38.963158
"746420"	981.243958	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+K"	38.963158
"1543005"	353.056758	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+K"	38.963158
"301275"	334.078817	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+H+K"	39.970434
"696980"	491.125617	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+H+K"	39.970434
"1449708"	177.032017	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H+K"	39.970434
"237217"	670.221026	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+ACN+H"	42.033826
"1212477"	356.127426	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+ACN+H"	42.033826
"1199278"	178.567351	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+ACN+2H"	43.041102
"197617"	673.15836	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+2Na-H"	44.97116
"638273"	987.25196	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+2Na-H"	44.97116
"1143604"	359.06476	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2Na-H"	44.97116
"180695"	337.082818	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+2Na"	45.978436
"622444"	494.129618	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+2Na"	45.978436
"1124862"	180.036018	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2Na"	45.978436
"1408383"	120.359770666667	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H+2Na"	46.985712
"1436127"	361.106346	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H+HCOOH"	47.012746
"224728"	342.11584	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+3H2O+2H"	56.04448
"1516070"	375.15839	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+IsoProp+H"	61.06479
"416850"	345.069788	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+Na+K"	61.952376
"777847"	502.116588	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+Na+K"	61.952376
"1675271"	188.022988	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Na+K"	61.952376
"257417"	692.202968	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+ACN+Na"	64.015768
"1229031"	378.109368	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+ACN+Na"	64.015768
"1719012"	378.132893	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+NH4+HCOOH"	64.039293
"1180355"	127.687084666667	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+3Na"	68.967654
"1650734"	383.088288	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Na+HCOOH"	68.994688
"158441"	705.10624	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+2K-H"	76.91904
"597228"	1019.19984	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+2K-H"	76.91904
"1084702"	391.01264	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2K-H"	76.91904
"143225"	353.056758	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"2M+2K"	77.926316
"585946"	510.103558	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"3M+2K"	77.926316
"1069117"	196.009958	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2K"	77.926316
"1100505"	393.027192	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2K+H"	78.933592
"1336157"	393.114807	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+DMSO+H"	79.021207
"1009677"	397.153976	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2ACN+H"	83.060376
"1536551"	398.147608	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+IsoProp+Na+H"	84.054008
"996438"	199.080626	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+2ACN+2H"	84.067652
"1597505"	399.062228	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+K+HCOOH"	84.968628
"1425351"	429.093738	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+H+CF3COOH"	115.000138
"1151265"	219.593901	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+3ACN+2H"	125.094202
"1701909"	446.120285	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+NH4+CF3COOH"	132.026685
"1639746"	451.07568	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+Na+CF3COOH"	136.98208
"1573212"	467.04962	"C17372"	"Epithienamycin A"	"C13H18N2O5S"	"314.0936"	"M+K+CF3COOH"	152.95602
"807952"	473.1832	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M"	0
"981485"	454.16481	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-H2O-H"	-19.01839
"71916"	314.448190666667	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M-3H"	-3.021828
"513666"	472.175924	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M-3H"	-3.021828
"890374"	156.720457333333	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-3H"	-3.021828
"12232"	472.175924	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M-2H"	-2.014552
"446323"	708.767524	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M-2H"	-2.014552
"825220"	235.584324	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-2H"	-2.014552
"88493"	945.359124	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M-H"	-1.007276
"528055"	1418.542324	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M-H"	-1.007276
"902576"	472.175924	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-H"	-1.007276
"52575"	962.385671	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M-2H+NH4"	16.019271
"492136"	1435.568871	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M-2H+NH4"	16.019271
"868481"	489.202471	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-2H+NH4"	16.019271
"33463"	967.341066	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M-2H+Na"	20.974666
"474120"	1440.524266	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M-2H+Na"	20.974666
"852653"	494.157866	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-2H+Na"	20.974666
"1623646"	494.157866	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Na-2H"	20.974666
"100175"	490.164263	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M-H+Cl"	33.962126
"536451"	726.755863	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M-H+Cl"	33.962126
"934343"	253.572663	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-H+Cl"	33.962126
"270716"	981.335802	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+Cl"	34.969402
"668603"	1454.519002	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+Cl"	34.969402
"1275902"	508.152602	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Cl"	34.969402
"19185"	983.315006	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M-2H+K"	36.948606
"456921"	1456.498206	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M-2H+K"	36.948606
"832984"	510.131806	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-2H+K"	36.948606
"1555755"	510.131806	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+K-2H"	36.948606
"943546"	518.181394	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-H+HCOOH"	44.998194
"373436"	991.364601	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+HCOOH-H"	44.998201
"356589"	1005.380251	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+Hac-H"	59.013851
"1508188"	532.197051	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Hac-H"	59.013851
"973987"	540.163351	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-H+NaCOOH"	66.980151
"125531"	508.152602	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+2Cl"	69.938804
"564714"	744.744202	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+2Cl"	69.938804
"1035583"	271.561002	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2Cl"	69.938804
"1248723"	552.102085	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Br"	78.918885
"1311173"	554.158072	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Cl+HCOOH"	80.974872
"1328668"	576.140029	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Cl+NaCOOH"	102.956829
"917539"	586.168786	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M-H+CF3COOH"	112.985586
"1292059"	622.145464	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Cl+CF3COOH"	148.962264
"1376783"	438.170524	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H-2H2O"	-35.012676
"1395374"	456.1805	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H-H2O"	-17.0027
"296886"	947.373676	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+H"	1.007276
"689305"	1420.556876	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+H"	1.007276
"1364929"	474.190476	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H"	1.007276
"139878"	474.190476	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+2H"	2.014552
"580047"	710.782076	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+2H"	2.014552
"1051650"	237.598876	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2H"	2.014552
"219755"	316.462742666667	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+3H"	3.021828
"656556"	474.190476	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+3H"	3.021828
"1176262"	158.735009333333	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+3H"	3.021828
"428475"	964.400223	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+NH4"	18.033823
"797126"	1437.583423	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+NH4"	18.033823
"1696623"	491.217023	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+NH4"	18.033823
"343567"	482.7037495	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+H+NH4"	19.041099
"736231"	719.2953495	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+H+NH4"	19.041099
"1489809"	246.1121495	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H+NH4"	19.041099
"401198"	969.355618	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+Na"	22.989218
"764378"	1442.538818	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+Na"	22.989218
"1613573"	496.172418	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Na"	22.989218
"323611"	485.181447	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+H+Na"	23.996494
"709833"	721.773047	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+H+Na"	23.996494
"1463654"	248.589847	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H+Na"	23.996494
"1058723"	166.062323333333	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2H+Na"	25.00377
"1262588"	506.216686	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+CH3OH+H"	33.033486
"385536"	985.329558	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+K"	38.963158
"744343"	1458.512758	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+K"	38.963158
"1543115"	512.146358	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+K"	38.963158
"301385"	493.168417	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+H+K"	39.970434
"699278"	729.760017	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+H+K"	39.970434
"1449818"	256.576817	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H+K"	39.970434
"236839"	988.400226	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+ACN+H"	42.033826
"1211852"	515.217026	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+ACN+H"	42.033826
"1197200"	258.112151	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+ACN+2H"	43.041102
"194445"	991.33756	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+2Na-H"	44.97116
"632185"	1464.52076	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+2Na-H"	44.97116
"1138609"	518.15436	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2Na-H"	44.97116
"178252"	496.172418	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+2Na"	45.978436
"621461"	732.764018	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+2Na"	45.978436
"1124971"	259.580818	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2Na"	45.978436
"1405213"	173.389637333333	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H+2Na"	46.985712
"1431862"	520.195946	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H+HCOOH"	47.012746
"223744"	501.20544	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+3H2O+2H"	56.04448
"1511077"	534.24799	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+IsoProp+H"	61.06479
"416960"	504.159388	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+Na+K"	61.952376
"775770"	740.750988	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+Na+K"	61.952376
"1671372"	267.567788	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Na+K"	61.952376
"253881"	1010.382168	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+ACN+Na"	64.015768
"1228776"	537.198968	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+ACN+Na"	64.015768
"1714743"	537.222493	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+NH4+HCOOH"	64.039293
"1180463"	180.716951333333	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+3Na"	68.967654
"1651815"	542.177888	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Na+HCOOH"	68.994688
"157499"	1023.28544	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+2K-H"	76.91904
"597249"	1496.46864	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+2K-H"	76.91904
"1084649"	550.10224	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2K-H"	76.91904
"141746"	512.146358	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"2M+2K"	77.926316
"584963"	748.737958	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"3M+2K"	77.926316
"1070933"	275.554758	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2K"	77.926316
"1100253"	552.116792	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2K+H"	78.933592
"1335902"	552.204407	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+DMSO+H"	79.021207
"1009787"	556.243576	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2ACN+H"	83.060376
"1536661"	557.237208	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+IsoProp+Na+H"	84.054008
"996548"	278.625426	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+2ACN+2H"	84.067652
"1597615"	558.151828	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+K+HCOOH"	84.968628
"1425461"	588.183338	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+H+CF3COOH"	115.000138
"1151375"	299.138701	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+3ACN+2H"	125.094202
"1702019"	605.209885	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+NH4+CF3COOH"	132.026685
"1639856"	610.16528	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+Na+CF3COOH"	136.98208
"1572229"	626.13922	"C17373"	"OA-6129 B1"	"C20H31N3O8S"	"473.1832"	"M+K+CF3COOH"	152.95602
"808062"	473.1832	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M"	0
"983782"	454.16481	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-H2O-H"	-19.01839
"78223"	314.448190666667	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M-3H"	-3.021828
"515962"	472.175924	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M-3H"	-3.021828
"893765"	156.720457333333	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-3H"	-3.021828
"15135"	472.175924	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M-2H"	-2.014552
"446432"	708.767524	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M-2H"	-2.014552
"827516"	235.584324	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-2H"	-2.014552
"90789"	945.359124	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M-H"	-1.007276
"530353"	1418.542324	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M-H"	-1.007276
"907060"	472.175924	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-H"	-1.007276
"55968"	962.385671	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M-2H+NH4"	16.019271
"494435"	1435.568871	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M-2H+NH4"	16.019271
"872237"	489.202471	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-2H+NH4"	16.019271
"37221"	967.341066	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M-2H+Na"	20.974666
"476781"	1440.524266	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M-2H+Na"	20.974666
"855315"	494.157866	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-2H+Na"	20.974666
"1624120"	494.157866	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Na-2H"	20.974666
"103564"	490.164263	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M-H+Cl"	33.962126
"540937"	726.755863	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M-H+Cl"	33.962126
"937733"	253.572663	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-H+Cl"	33.962126
"277386"	981.335802	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+Cl"	34.969402
"671992"	1454.519002	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+Cl"	34.969402
"1278928"	508.152602	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Cl"	34.969402
"20389"	983.315006	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M-2H+K"	36.948606
"458856"	1456.498206	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M-2H+K"	36.948606
"835931"	510.131806	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-2H+K"	36.948606
"1556138"	510.131806	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+K-2H"	36.948606
"944020"	518.181394	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-H+HCOOH"	44.998194
"373910"	991.364601	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+HCOOH-H"	44.998201
"356699"	1005.380251	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+Hac-H"	59.013851
"1508409"	532.197051	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Hac-H"	59.013851
"973852"	540.163351	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-H+NaCOOH"	66.980151
"125068"	508.152602	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+2Cl"	69.938804
"564827"	744.744202	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+2Cl"	69.938804
"1034721"	271.561002	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2Cl"	69.938804
"1252113"	552.102085	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Br"	78.918885
"1310190"	554.158072	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Cl+HCOOH"	80.974872
"1327685"	576.140029	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Cl+NaCOOH"	102.956829
"918742"	586.168786	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M-H+CF3COOH"	112.985586
"1294356"	622.145464	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Cl+CF3COOH"	148.962264
"1376893"	438.170524	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H-2H2O"	-35.012676
"1396214"	456.1805	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H-H2O"	-17.0027
"296997"	947.373676	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+H"	1.007276
"688687"	1420.556876	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+H"	1.007276
"1365766"	474.190476	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H"	1.007276
"140474"	474.190476	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+2H"	2.014552
"580642"	710.782076	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+2H"	2.014552
"1052357"	237.598876	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2H"	2.014552
"219053"	316.462742666667	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+3H"	3.021828
"658126"	474.190476	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+3H"	3.021828
"1176738"	158.735009333333	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+3H"	3.021828
"431863"	964.400223	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+NH4"	18.033823
"792863"	1437.583423	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+NH4"	18.033823
"1694302"	491.217023	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+NH4"	18.033823
"342944"	482.7037495	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+H+NH4"	19.041099
"735368"	719.2953495	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+H+NH4"	19.041099
"1489920"	246.1121495	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H+NH4"	19.041099
"401307"	969.355618	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+Na"	22.989218
"764487"	1442.538818	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+Na"	22.989218
"1610403"	496.172418	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Na"	22.989218
"327976"	485.181447	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+H+Na"	23.996494
"710674"	721.773047	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+H+Na"	23.996494
"1465589"	248.589847	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H+Na"	23.996494
"1057739"	166.062323333333	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2H+Na"	25.00377
"1262697"	506.216686	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+CH3OH+H"	33.033486
"383460"	985.329558	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+K"	38.963158
"747734"	1458.512758	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+K"	38.963158
"1550516"	512.146358	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+K"	38.963158
"306962"	493.168417	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+H+K"	39.970434
"699385"	729.760017	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+H+K"	39.970434
"1447376"	256.576817	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H+K"	39.970434
"237797"	988.400226	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+ACN+H"	42.033826
"1211598"	515.217026	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+ACN+H"	42.033826
"1196217"	258.112151	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+ACN+2H"	43.041102
"192369"	991.33756	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+2Na-H"	44.97116
"632295"	1464.52076	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+2Na-H"	44.97116
"1137989"	518.15436	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2Na-H"	44.97116
"177998"	496.172418	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+2Na"	45.978436
"622664"	732.764018	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+2Na"	45.978436
"1125081"	259.580818	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2Na"	45.978436
"1407510"	173.389637333333	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H+2Na"	46.985712
"1434159"	520.195946	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H+HCOOH"	47.012746
"227134"	501.20544	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+3H2O+2H"	56.04448
"1516290"	534.24799	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+IsoProp+H"	61.06479
"417071"	504.159388	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+Na+K"	61.952376
"775880"	740.750988	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+Na+K"	61.952376
"1672212"	267.567788	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Na+K"	61.952376
"257637"	1010.382168	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+ACN+Na"	64.015768
"1228886"	537.198968	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+ACN+Na"	64.015768
"1714853"	537.222493	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+NH4+HCOOH"	64.039293
"1181666"	180.716951333333	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+3Na"	68.967654
"1651923"	542.177888	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Na+HCOOH"	68.994688
"157809"	1023.28544	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+2K-H"	76.91904
"597178"	1496.46864	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+2K-H"	76.91904
"1084683"	550.10224	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2K-H"	76.91904
"142343"	512.146358	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"2M+2K"	77.926316
"586166"	748.737958	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"3M+2K"	77.926316
"1070679"	275.554758	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2K"	77.926316
"1101700"	552.116792	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2K+H"	78.933592
"1336050"	552.204407	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+DMSO+H"	79.021207
"1008802"	556.243576	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2ACN+H"	83.060376
"1535678"	557.237208	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+IsoProp+Na+H"	84.054008
"996658"	278.625426	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+2ACN+2H"	84.067652
"1598818"	558.151828	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+K+HCOOH"	84.968628
"1426664"	588.183338	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+H+CF3COOH"	115.000138
"1154765"	299.138701	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+3ACN+2H"	125.094202
"1707596"	605.209885	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+NH4+CF3COOH"	132.026685
"1639966"	610.16528	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+Na+CF3COOH"	136.98208
"1574525"	626.13922	"C17374"	"OA-6129 B2"	"C20H31N3O8S"	"473.1832"	"M+K+CF3COOH"	152.95602
"808172"	475.1988	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M"	0
"981705"	456.18041	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-H2O-H"	-19.01839
"72135"	315.791924	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M-3H"	-3.021828
"510606"	474.191524	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M-3H"	-3.021828
"893875"	157.392324	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-3H"	-3.021828
"13547"	474.191524	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M-2H"	-2.014552
"447636"	711.790924	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M-2H"	-2.014552
"826533"	236.592124	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-2H"	-2.014552
"88712"	949.390324	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M-H"	-1.007276
"529369"	1424.589124	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M-H"	-1.007276
"904983"	474.191524	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-H"	-1.007276
"58264"	966.416871	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M-2H+NH4"	16.019271
"496731"	1441.615671	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M-2H+NH4"	16.019271
"872347"	491.218071	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-2H+NH4"	16.019271
"38060"	971.372266	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M-2H+Na"	20.974666
"476891"	1446.571066	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M-2H+Na"	20.974666
"855060"	496.173466	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-2H+Na"	20.974666
"1624230"	496.173466	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Na-2H"	20.974666
"103674"	492.179863	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M-H+Cl"	33.962126
"544327"	729.779263	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M-H+Cl"	33.962126
"936751"	254.580463	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-H+Cl"	33.962126
"274215"	985.367002	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+Cl"	34.969402
"665541"	1460.565802	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+Cl"	34.969402
"1274299"	510.168202	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Cl"	34.969402
"21592"	987.346206	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M-2H+K"	36.948606
"461150"	1462.545006	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M-2H+K"	36.948606
"834944"	512.147406	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-2H+K"	36.948606
"1558798"	512.147406	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+K-2H"	36.948606
"945223"	520.196994	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-H+HCOOH"	44.998194
"371833"	995.395801	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+HCOOH-H"	44.998201
"351340"	1009.411451	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+Hac-H"	59.013851
"1508284"	534.212651	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Hac-H"	59.013851
"970634"	542.178951	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-H+NaCOOH"	66.980151
"125599"	510.168202	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+2Cl"	69.938804
"564206"	747.767602	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+2Cl"	69.938804
"1035563"	272.568802	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2Cl"	69.938804
"1253317"	554.117685	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Br"	78.918885
"1309207"	556.173672	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Cl+HCOOH"	80.974872
"1331076"	578.155629	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Cl+NaCOOH"	102.956829
"921040"	588.184386	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M-H+CF3COOH"	112.985586
"1296653"	624.161064	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Cl+CF3COOH"	148.962264
"1375910"	440.186124	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H-2H2O"	-35.012676
"1397419"	458.1961	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H-H2O"	-17.0027
"298080"	951.404876	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+H"	1.007276
"689891"	1426.603676	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+H"	1.007276
"1366241"	476.206076	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H"	1.007276
"139126"	476.206076	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+2H"	2.014552
"579780"	713.805476	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+2H"	2.014552
"1052224"	238.606676	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2H"	2.014552
"219406"	317.806476	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+3H"	3.021828
"658357"	476.206076	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+3H"	3.021828
"1177700"	159.406876	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+3H"	3.021828
"435250"	968.431423	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+NH4"	18.033823
"790786"	1443.630223	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+NH4"	18.033823
"1695140"	493.232623	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+NH4"	18.033823
"343419"	484.7193495	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+H+NH4"	19.041099
"734382"	722.3187495	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+H+NH4"	19.041099
"1488207"	247.1199495	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H+NH4"	19.041099
"401417"	973.386818	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+Na"	22.989218
"765690"	1448.585618	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+Na"	22.989218
"1611601"	498.188018	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Na"	22.989218
"324919"	487.197047	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+H+Na"	23.996494
"714063"	724.796447	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+H+Na"	23.996494
"1470072"	249.597647	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H+Na"	23.996494
"1058942"	166.73419	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2H+Na"	25.00377
"1260255"	508.232286	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+CH3OH+H"	33.033486
"384663"	989.360758	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+K"	38.963158
"744564"	1464.559558	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+K"	38.963158
"1547710"	514.161958	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+K"	38.963158
"303791"	495.184017	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+H+K"	39.970434
"700589"	732.783417	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+H+K"	39.970434
"1447851"	257.584617	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H+K"	39.970434
"237908"	992.431426	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+ACN+H"	42.033826
"1211345"	517.232626	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+ACN+H"	42.033826
"1197784"	259.119951	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+ACN+2H"	43.041102
"192479"	995.36876	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+2Na-H"	44.97116
"633498"	1470.56756	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+2Na-H"	44.97116
"1136276"	520.16996	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2Na-H"	44.97116
"178108"	498.188018	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+2Na"	45.978436
"622774"	735.787418	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+2Na"	45.978436
"1126284"	260.588618	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2Na"	45.978436
"1409806"	174.061504	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H+2Na"	46.985712
"1437549"	522.211546	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H+HCOOH"	47.012746
"222869"	503.22104	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+3H2O+2H"	56.04448
"1518587"	536.26359	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+IsoProp+H"	61.06479
"417181"	506.174988	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+Na+K"	61.952376
"777083"	743.774388	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+Na+K"	61.952376
"1672322"	268.575588	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Na+K"	61.952376
"255560"	1014.413368	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+ACN+Na"	64.015768
"1228265"	539.214568	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+ACN+Na"	64.015768
"1715696"	539.238093	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+NH4+HCOOH"	64.039293
"1179589"	181.388818	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+3Na"	68.967654
"1651306"	544.193488	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Na+HCOOH"	68.994688
"157799"	1027.31664	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+2K-H"	76.91904
"597273"	1502.51544	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+2K-H"	76.91904
"1084199"	552.11784	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2K-H"	76.91904
"141529"	514.161958	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"2M+2K"	77.926316
"585183"	751.761358	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"3M+2K"	77.926316
"1072976"	276.562558	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2K"	77.926316
"1105091"	554.132392	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2K+H"	78.933592
"1336733"	554.220007	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+DMSO+H"	79.021207
"1006026"	558.259176	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2ACN+H"	83.060376
"1525943"	559.252808	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+IsoProp+Na+H"	84.054008
"996768"	279.633226	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+2ACN+2H"	84.067652
"1597835"	560.167428	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+K+HCOOH"	84.968628
"1424587"	590.198938	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+H+CF3COOH"	115.000138
"1158155"	300.146501	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+3ACN+2H"	125.094202
"1708799"	607.225485	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+NH4+CF3COOH"	132.026685
"1640076"	612.18088	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+Na+CF3COOH"	136.98208
"1573542"	628.15482	"C17375"	"OA-6129 D"	"C20H33N3O8S"	"475.1988"	"M+K+CF3COOH"	152.95602
"808282"	489.2145	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M"	0
"981815"	470.19611	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-H2O-H"	-19.01839
"71151"	325.135724	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M-3H"	-3.021828
"510716"	488.207224	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M-3H"	-3.021828
"891798"	162.064224	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-3H"	-3.021828
"12560"	488.207224	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M-2H"	-2.014552
"445559"	732.814474	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M-2H"	-2.014552
"828829"	243.599974	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-2H"	-2.014552
"87728"	977.421724	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M-H"	-1.007276
"531788"	1466.636224	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M-H"	-1.007276
"907279"	488.207224	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-H"	-1.007276
"59467"	994.448271	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M-2H+NH4"	16.019271
"497934"	1483.662771	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M-2H+NH4"	16.019271
"872456"	505.233771	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-2H+NH4"	16.019271
"39264"	999.403666	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M-2H+Na"	20.974666
"477001"	1488.618166	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M-2H+Na"	20.974666
"859909"	510.189166	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-2H+Na"	20.974666
"1627256"	510.189166	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Na-2H"	20.974666
"109009"	506.195563	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M-H+Cl"	33.962126
"547717"	750.802813	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M-H+Cl"	33.962126
"939048"	261.588313	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-H+Cl"	33.962126
"275418"	1013.398402	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+Cl"	34.969402
"665651"	1502.612902	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+Cl"	34.969402
"1278052"	524.183902	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Cl"	34.969402
"21701"	1015.377606	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M-2H+K"	36.948606
"463447"	1504.592106	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M-2H+K"	36.948606
"835056"	526.163106	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-2H+K"	36.948606
"1559273"	526.163106	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+K-2H"	36.948606
"943875"	534.212694	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-H+HCOOH"	44.998194
"371943"	1023.427201	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+HCOOH-H"	44.998201
"351450"	1037.442851	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+Hac-H"	59.013851
"1504659"	548.228351	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Hac-H"	59.013851
"972932"	556.194651	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-H+NaCOOH"	66.980151
"124392"	524.183902	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+2Cl"	69.938804
"562856"	768.791152	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+2Cl"	69.938804
"1036891"	279.576652	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2Cl"	69.938804
"1253427"	568.133385	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Br"	78.918885
"1313689"	570.189372	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Cl+HCOOH"	80.974872
"1333008"	592.171329	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Cl+NaCOOH"	102.956829
"923336"	602.200086	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M-H+CF3COOH"	112.985586
"1298949"	638.176764	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Cl+CF3COOH"	148.962264
"1378206"	454.201824	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H-2H2O"	-35.012676
"1398437"	472.2118	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H-H2O"	-17.0027
"298436"	979.436276	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+H"	1.007276
"690728"	1468.650776	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+H"	1.007276
"1365623"	490.221776	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H"	1.007276
"139966"	490.221776	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+2H"	2.014552
"578796"	734.829026	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+2H"	2.014552
"1051484"	245.614526	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2H"	2.014552
"213306"	327.150276	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+3H"	3.021828
"658226"	490.221776	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+3H"	3.021828
"1177566"	164.078776	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+3H"	3.021828
"433179"	996.462823	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+NH4"	18.033823
"799644"	1485.677323	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+NH4"	18.033823
"1694886"	507.248323	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+NH4"	18.033823
"341706"	498.7350495	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+H+NH4"	19.041099
"737044"	743.3422995	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+H+NH4"	19.041099
"1491232"	254.1277995	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H+NH4"	19.041099
"405901"	1001.418218	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+Na"	22.989218
"765436"	1490.632718	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+Na"	22.989218
"1613898"	512.203718	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Na"	22.989218
"325029"	501.212747	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+H+Na"	23.996494
"714173"	745.819997	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+H+Na"	23.996494
"1469090"	256.605497	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H+Na"	23.996494
"1059053"	171.40609	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2H+Na"	25.00377
"1262917"	522.247986	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+CH3OH+H"	33.033486
"386596"	1017.392158	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+K"	38.963158
"744674"	1506.606658	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+K"	38.963158
"1548913"	528.177658	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+K"	38.963158
"303901"	509.199717	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+H+K"	39.970434
"698513"	753.806967	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+H+K"	39.970434
"1450149"	264.592467	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H+K"	39.970434
"237289"	1020.462826	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+ACN+H"	42.033826
"1210727"	531.248326	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+ACN+H"	42.033826
"1197530"	266.127801	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+ACN+2H"	43.041102
"193682"	1023.40016	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+2Na-H"	44.97116
"632151"	1512.61466	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+2Na-H"	44.97116
"1136022"	534.18566	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2Na-H"	44.97116
"181135"	512.203718	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+2Na"	45.978436
"622884"	756.810968	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+2Na"	45.978436
"1127488"	267.596468	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2Na"	45.978436
"1411009"	178.733404	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H+2Na"	46.985712
"1434378"	536.227246	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H+HCOOH"	47.012746
"233671"	517.23674	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+3H2O+2H"	56.04448
"1517602"	550.27929	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+IsoProp+H"	61.06479
"420570"	520.190688	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+Na+K"	61.952376
"781566"	764.797938	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+Na+K"	61.952376
"1675712"	275.583438	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Na+K"	61.952376
"258950"	1042.444768	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+ACN+Na"	64.015768
"1228742"	553.230268	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+ACN+Na"	64.015768
"1716535"	553.253793	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+NH4+HCOOH"	64.039293
"1180795"	186.060718	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+3Na"	68.967654
"1650689"	558.209188	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Na+HCOOH"	68.994688
"158394"	1055.34804	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+2K-H"	76.91904
"598076"	1544.56254	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+2K-H"	76.91904
"1084449"	566.13354	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2K-H"	76.91904
"142319"	528.177658	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"2M+2K"	77.926316
"586386"	772.784908	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"3M+2K"	77.926316
"1070899"	283.570408	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2K"	77.926316
"1101920"	568.148092	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2K+H"	78.933592
"1339396"	568.235707	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+DMSO+H"	79.021207
"1006585"	572.274876	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2ACN+H"	83.060376
"1527146"	573.268508	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+IsoProp+Na+H"	84.054008
"996878"	286.641076	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+2ACN+2H"	84.067652
"1599038"	574.183128	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+K+HCOOH"	84.968628
"1424697"	604.214638	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+H+CF3COOH"	115.000138
"1158265"	307.154351	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+3ACN+2H"	125.094202
"1708909"	621.241185	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+NH4+CF3COOH"	132.026685
"1640186"	626.19658	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+Na+CF3COOH"	136.98208
"1573652"	642.17052	"C17376"	"OA-6129 E"	"C21H35N3O8S"	"489.2145"	"M+K+CF3COOH"	152.95602
"807299"	314.0936	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M"	0
"980832"	295.07521	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-H2O-H"	-19.01839
"71261"	208.388457333333	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M-3H"	-3.021828
"511919"	313.086324	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M-3H"	-3.021828
"890815"	103.690590666667	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-3H"	-3.021828
"8295"	313.086324	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M-2H"	-2.014552
"446762"	470.133124	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M-2H"	-2.014552
"827846"	156.039524	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-2H"	-2.014552
"90025"	627.179924	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M-H"	-1.007276
"528496"	941.273524	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M-H"	-1.007276
"903016"	313.086324	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-H"	-1.007276
"58484"	644.206471	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M-2H+NH4"	16.019271
"496950"	958.300071	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M-2H+NH4"	16.019271
"875846"	330.112871	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-2H+NH4"	16.019271
"45691"	649.161866	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M-2H+Na"	20.974666
"484399"	963.255466	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M-2H+Na"	20.974666
"851269"	335.068266	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-2H+Na"	20.974666
"1621166"	335.068266	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Na-2H"	20.974666
"107174"	331.074663	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M-H+Cl"	33.962126
"544547"	488.121463	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M-H+Cl"	33.962126
"940251"	174.027863	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-H+Cl"	33.962126
"275528"	663.156602	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+Cl"	34.969402
"665761"	977.250202	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+Cl"	34.969402
"1275976"	349.063002	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Cl"	34.969402
"19626"	665.135806	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M-2H+K"	36.948606
"462464"	979.229406	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M-2H+K"	36.948606
"835896"	351.042206	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-2H+K"	36.948606
"1556466"	351.042206	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+K-2H"	36.948606
"946174"	359.091794	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-H+HCOOH"	44.998194
"373146"	673.185401	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+HCOOH-H"	44.998201
"351560"	687.201051	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+Hac-H"	59.013851
"1504769"	373.107451	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Hac-H"	59.013851
"973731"	381.073751	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-H+NaCOOH"	66.980151
"124625"	349.063002	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+2Cl"	69.938804
"562966"	506.109802	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+2Cl"	69.938804
"1035788"	192.016202	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2Cl"	69.938804
"1252443"	393.012485	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Br"	78.918885
"1311612"	395.068472	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Cl+HCOOH"	80.974872
"1329107"	417.050429	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Cl+NaCOOH"	102.956829
"923445"	427.079186	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M-H+CF3COOH"	112.985586
"1293592"	463.055864	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Cl+CF3COOH"	148.962264
"1375034"	279.080924	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H-2H2O"	-35.012676
"1397516"	297.0909	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H-H2O"	-17.0027
"297328"	629.194476	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+H"	1.007276
"690838"	943.288076	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+H"	1.007276
"1365364"	315.100876	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H"	1.007276
"139345"	315.100876	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+2H"	2.014552
"578906"	472.147676	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+2H"	2.014552
"1048797"	158.054076	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2H"	2.014552
"212323"	210.403009333333	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+3H"	3.021828
"659634"	315.100876	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+3H"	3.021828
"1178082"	105.705142666667	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+3H"	3.021828
"433289"	646.221023	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+NH4"	18.033823
"799754"	960.314623	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+NH4"	18.033823
"1693902"	332.127423	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+NH4"	18.033823
"342180"	323.6141495	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+H+NH4"	19.041099
"737154"	480.6609495	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+H+NH4"	19.041099
"1484052"	166.5673495	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H+NH4"	19.041099
"401637"	651.176418	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+Na"	22.989218
"762630"	965.270018	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+Na"	22.989218
"1608541"	337.082818	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Na"	22.989218
"321859"	326.091847	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+H+Na"	23.996494
"715373"	483.138647	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+H+Na"	23.996494
"1465916"	169.045047	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H+Na"	23.996494
"1059162"	113.032456666667	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2H+Na"	25.00377
"1259745"	347.127086	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+CH3OH+H"	33.033486
"382697"	667.150358	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+K"	38.963158
"744784"	981.243958	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+K"	38.963158
"1547930"	353.056758	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+K"	38.963158
"304011"	334.078817	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+H+K"	39.970434
"694611"	491.125617	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+H+K"	39.970434
"1451352"	177.032017	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H+K"	39.970434
"236668"	670.221026	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+ACN+H"	42.033826
"1211200"	356.127426	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+ACN+H"	42.033826
"1198368"	178.567351	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+ACN+2H"	43.041102
"194885"	673.15836	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+2Na-H"	44.97116
"634447"	987.25196	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+2Na-H"	44.97116
"1137953"	359.06476	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2Na-H"	44.97116
"179057"	337.082818	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+2Na"	45.978436
"624087"	494.129618	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+2Na"	45.978436
"1126505"	180.036018	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2Na"	45.978436
"1410025"	120.359770666667	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H+2Na"	46.985712
"1436676"	361.106346	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H+HCOOH"	47.012746
"230743"	342.11584	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+3H2O+2H"	56.04448
"1517712"	375.15839	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+IsoProp+H"	61.06479
"421773"	345.069788	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+Na+K"	61.952376
"782768"	502.116588	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+Na+K"	61.952376
"1675820"	188.022988	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Na+K"	61.952376
"259060"	692.202968	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+ACN+Na"	64.015768
"1228852"	378.109368	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+ACN+Na"	64.015768
"1715551"	378.132893	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+NH4+HCOOH"	64.039293
"1181634"	127.687084666667	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+3Na"	68.967654
"1652621"	383.088288	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Na+HCOOH"	68.994688
"158625"	705.10624	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+2K-H"	76.91904
"598058"	1019.19984	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+2K-H"	76.91904
"1085742"	391.01264	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2K-H"	76.91904
"142187"	353.056758	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"2M+2K"	77.926316
"586495"	510.103558	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"3M+2K"	77.926316
"1069669"	196.009958	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2K"	77.926316
"1103122"	393.027192	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2K+H"	78.933592
"1337804"	393.114807	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+DMSO+H"	79.021207
"1006939"	397.153976	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2ACN+H"	83.060376
"1526648"	398.147608	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+IsoProp+Na+H"	84.054008
"996988"	199.080626	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+2ACN+2H"	84.067652
"1599148"	399.062228	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+K+HCOOH"	84.968628
"1424807"	429.093738	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+H+CF3COOH"	115.000138
"1155095"	219.593901	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+3ACN+2H"	125.094202
"1709019"	446.120285	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+NH4+CF3COOH"	132.026685
"1640296"	451.07568	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+Na+CF3COOH"	136.98208
"1572669"	467.04962	"C17377"	"N-Acetylthienamycin"	"C13H18N2O5S"	"314.0936"	"M+K+CF3COOH"	152.95602
"808503"	223.9716	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M"	0
"980942"	204.95321	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-H2O-H"	-19.01839
"70281"	148.307124	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M-3H"	-3.021828
"512029"	222.964324	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M-3H"	-3.021828
"886551"	73.649924	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-3H"	-3.021828
"1113"	222.964324	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M-2H"	-2.014552
"442861"	334.950124	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M-2H"	-2.014552
"825769"	110.978524	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-2H"	-2.014552
"84670"	446.935924	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M-H"	-1.007276
"530792"	670.907524	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M-H"	-1.007276
"909444"	222.964324	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-H"	-1.007276
"60539"	463.962471	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M-2H+NH4"	16.019271
"499248"	687.934071	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M-2H+NH4"	16.019271
"873767"	239.990871	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-2H+NH4"	16.019271
"42762"	468.917866	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M-2H+Na"	20.974666
"471533"	692.889466	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M-2H+Na"	20.974666
"851379"	244.946266	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-2H+Na"	20.974666
"1621641"	244.946266	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Na-2H"	20.974666
"104005"	240.952663	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M-H+Cl"	33.962126
"538098"	352.938463	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M-H+Cl"	33.962126
"931614"	128.966863	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-H+Cl"	33.962126
"269805"	482.912602	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+Cl"	34.969402
"668058"	706.884202	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+Cl"	34.969402
"1276451"	258.941002	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Cl"	34.969402
"19736"	484.891806	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M-2H+K"	36.948606
"458204"	708.863406	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M-2H+K"	36.948606
"834545"	260.920206	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-2H+K"	36.948606
"1555665"	260.920206	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+K-2H"	36.948606
"953946"	268.969794	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-H+HCOOH"	44.998194
"369974"	492.941401	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+HCOOH-H"	44.998201
"358233"	506.957051	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+Hac-H"	59.013851
"1502692"	282.985451	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Hac-H"	59.013851
"973152"	290.951751	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-H+NaCOOH"	66.980151
"124247"	258.941002	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+2Cl"	69.938804
"564792"	370.926802	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+2Cl"	69.938804
"1036749"	146.955202	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2Cl"	69.938804
"1254741"	302.890485	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Br"	78.918885
"1317188"	304.946472	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Cl+HCOOH"	80.974872
"1330309"	326.928429	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Cl+NaCOOH"	102.956829
"916994"	336.957186	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M-H+CF3COOH"	112.985586
"1295889"	372.933864	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Cl+CF3COOH"	148.962264
"1380252"	188.958924	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H-2H2O"	-35.012676
"1394830"	206.9689	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H-H2O"	-17.0027
"296344"	448.950476	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+H"	1.007276
"684751"	672.922076	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+H"	1.007276
"1365839"	224.978876	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H"	1.007276
"135082"	224.978876	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+2H"	2.014552
"580475"	336.964676	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+2H"	2.014552
"1044534"	112.993076	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2H"	2.014552
"217545"	150.321676	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+3H"	3.021828
"659173"	224.978876	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+3H"	3.021828
"1170128"	75.664476	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+3H"	3.021828
"434497"	465.977023	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+NH4"	18.033823
"795493"	689.948623	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+NH4"	18.033823
"1692920"	242.005423	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+NH4"	18.033823
"340468"	233.4921495	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+H+NH4"	19.041099
"731433"	345.4779495	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+H+NH4"	19.041099
"1487441"	121.5063495	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H+NH4"	19.041099
"401747"	470.932418	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+Na"	22.989218
"766021"	694.904018	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+Na"	22.989218
"1610838"	246.960818	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Na"	22.989218
"323064"	235.969847	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+H+Na"	23.996494
"713298"	347.955647	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+H+Na"	23.996494
"1467118"	123.984047	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H+Na"	23.996494
"1056353"	82.99179	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2H+Na"	25.00377
"1259489"	257.005086	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+CH3OH+H"	33.033486
"378065"	486.906358	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+K"	38.963158
"739790"	710.877958	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+K"	38.963158
"1544028"	262.934758	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+K"	38.963158
"300475"	243.956817	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+H+K"	39.970434
"697643"	355.942617	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+H+K"	39.970434
"1453649"	131.971017	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H+K"	39.970434
"236537"	489.977026	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+ACN+H"	42.033826
"1213864"	266.005426	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+ACN+H"	42.033826
"1199207"	133.506351	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+ACN+2H"	43.041102
"194997"	492.91436	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+2Na-H"	44.97116
"632370"	716.88596	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+2Na-H"	44.97116
"1135143"	268.94276	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2Na-H"	44.97116
"175519"	246.960818	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+2Na"	45.978436
"622009"	358.946618	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+2Na"	45.978436
"1127705"	134.975018	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2Na"	45.978436
"1407949"	90.319104	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H+2Na"	46.985712
"1441159"	270.984346	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H+HCOOH"	47.012746
"225387"	251.99384	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+3H2O+2H"	56.04448
"1515636"	285.03639	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+IsoProp+H"	61.06479
"420788"	254.947788	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+Na+K"	61.952376
"781785"	366.933588	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+Na+K"	61.952376
"1677021"	142.961988	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Na+K"	61.952376
"260261"	511.958968	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+ACN+Na"	64.015768
"1230785"	287.987368	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+ACN+Na"	64.015768
"1717483"	288.010893	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+NH4+HCOOH"	64.039293
"1182837"	97.646418	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+3Na"	68.967654
"1651755"	292.966288	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Na+HCOOH"	68.994688
"160687"	524.86224	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+2K-H"	76.91904
"597933"	748.83384	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+2K-H"	76.91904
"1084632"	300.89064	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2K-H"	76.91904
"145951"	262.934758	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"2M+2K"	77.926316
"584418"	374.920558	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"3M+2K"	77.926316
"1072211"	150.948958	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2K"	77.926316
"1103232"	302.905192	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2K+H"	78.933592
"1338524"	302.992807	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+DMSO+H"	79.021207
"1009239"	307.031976	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2ACN+H"	83.060376
"1530650"	308.025608	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+IsoProp+Na+H"	84.054008
"997098"	154.019626	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+2ACN+2H"	84.067652
"1601443"	308.940228	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+K+HCOOH"	84.968628
"1420542"	338.971738	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+H+CF3COOH"	115.000138
"1155205"	174.532901	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+3ACN+2H"	125.094202
"1705849"	355.998285	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+NH4+CF3COOH"	132.026685
"1635306"	360.95368	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+Na+CF3COOH"	136.98208
"1576060"	376.92762	"C17379"	"Lead oxide"	"PbO"	"223.9716"	"M+K+CF3COOH"	152.95602
"808613"	309.1477	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M"	0
"978865"	290.12931	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-H2O-H"	-19.01839
"74764"	205.091190666667	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M-3H"	-3.021828
"514327"	308.140424	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M-3H"	-3.021828
"887754"	102.041957333333	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-3H"	-3.021828
"3044"	308.140424	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M-2H"	-2.014552
"444064"	462.714274	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M-2H"	-2.014552
"821505"	153.566574	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-2H"	-2.014552
"88060"	617.288124	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M-H"	-1.007276
"528714"	926.435824	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M-H"	-1.007276
"905422"	308.140424	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-H"	-1.007276
"61015"	634.314671	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M-2H+NH4"	16.019271
"500088"	943.462371	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M-2H+NH4"	16.019271
"877036"	325.166971	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-2H+NH4"	16.019271
"42872"	639.270066	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M-2H+Na"	20.974666
"474416"	948.417766	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M-2H+Na"	20.974666
"855864"	330.122366	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-2H+Na"	20.974666
"1624303"	330.122366	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Na-2H"	20.974666
"104844"	326.128763	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M-H+Cl"	33.962126
"541488"	480.702613	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M-H+Cl"	33.962126
"933911"	171.554913	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-H+Cl"	33.962126
"272467"	653.264802	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+Cl"	34.969402
"668168"	962.412502	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+Cl"	34.969402
"1279477"	344.117102	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Cl"	34.969402
"22033"	655.244006	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M-2H+K"	36.948606
"457585"	964.391706	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M-2H+K"	36.948606
"833683"	346.096306	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-2H+K"	36.948606
"1555958"	346.096306	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+K-2H"	36.948606
"952963"	354.145894	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-H+HCOOH"	44.998194
"371179"	663.293601	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+HCOOH-H"	44.998201
"357250"	677.309251	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+Hac-H"	59.013851
"1501709"	368.161551	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Hac-H"	59.013851
"971440"	376.127851	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-H+NaCOOH"	66.980151
"122535"	344.117102	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+2Cl"	69.938804
"565631"	498.690952	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+2Cl"	69.938804
"1036978"	189.543252	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2Cl"	69.938804
"1254851"	388.066585	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Br"	78.918885
"1316205"	390.122572	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Cl+HCOOH"	80.974872
"1329326"	412.104529	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Cl+NaCOOH"	102.956829
"917104"	422.133286	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M-H+CF3COOH"	112.985586
"1297093"	458.109964	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Cl+CF3COOH"	148.962264
"1380362"	274.135024	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H-2H2O"	-35.012676
"1394940"	292.145	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H-H2O"	-17.0027
"296819"	619.302676	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+H"	1.007276
"688141"	928.450376	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+H"	1.007276
"1365584"	310.154976	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H"	1.007276
"138472"	310.154976	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+2H"	2.014552
"580220"	464.728826	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+2H"	2.014552
"1044644"	155.581126	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2H"	2.014552
"218383"	207.105742666667	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+3H"	3.021828
"659038"	310.154976	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+3H"	3.021828
"1172426"	104.056509333333	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+3H"	3.021828
"436796"	636.329223	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+NH4"	18.033823
"797062"	945.476923	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+NH4"	18.033823
"1693394"	327.181523	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+NH4"	18.033823
"340942"	318.6682495	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+H+NH4"	19.041099
"732637"	473.2420995	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+H+NH4"	19.041099
"1488644"	164.0943995	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H+NH4"	19.041099
"402950"	641.284618	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+Na"	22.989218
"767224"	950.432318	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+Na"	22.989218
"1612042"	332.136918	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Na"	22.989218
"323174"	321.145947	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+H+Na"	23.996494
"713409"	475.719797	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+H+Na"	23.996494
"1466136"	166.572097	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H+Na"	23.996494
"1056828"	111.383823333333	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2H+Na"	25.00377
"1259599"	342.181186	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+CH3OH+H"	33.033486
"379998"	657.258558	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+K"	38.963158
"745003"	966.406258	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+K"	38.963158
"1543773"	348.110858	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+K"	38.963158
"303137"	329.132917	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+H+K"	39.970434
"695201"	483.706767	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+H+K"	39.970434
"1450479"	174.559067	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H+K"	39.970434
"236646"	660.329226	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+ACN+H"	42.033826
"1213245"	351.181526	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+ACN+H"	42.033826
"1200047"	176.094401	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+ACN+2H"	43.041102
"189508"	663.26656	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+2Na-H"	44.97116
"631751"	972.41426	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+2Na-H"	44.97116
"1133797"	354.11886	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2Na-H"	44.97116
"175629"	332.136918	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+2Na"	45.978436
"622119"	486.710768	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+2Na"	45.978436
"1121255"	177.563068	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2Na"	45.978436
"1403686"	118.711137333333	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H+2Na"	46.985712
"1432522"	356.160446	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H+HCOOH"	47.012746
"222581"	337.16994	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+3H2O+2H"	56.04448
"1510278"	370.21249	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+IsoProp+H"	61.06479
"412515"	340.123888	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+Na+K"	61.952376
"777523"	494.697738	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+Na+K"	61.952376
"1672758"	185.550038	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Na+K"	61.952376
"255998"	682.311168	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+ACN+Na"	64.015768
"1226762"	373.163468	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+ACN+Na"	64.015768
"1714313"	373.186993	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+NH4+HCOOH"	64.039293
"1180761"	126.038451333333	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+3Na"	68.967654
"1651134"	378.142388	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Na+HCOOH"	68.994688
"162984"	695.21444	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+2K-H"	76.91904
"597435"	1004.36214	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+2K-H"	76.91904
"1084222"	386.06674	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2K-H"	76.91904
"144968"	348.110858	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"2M+2K"	77.926316
"584528"	502.684708	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"3M+2K"	77.926316
"1072321"	193.537008	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2K"	77.926316
"1102249"	388.081292	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2K+H"	78.933592
"1339727"	388.168907	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+DMSO+H"	79.021207
"1006797"	392.208076	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2ACN+H"	83.060376
"1530760"	393.201708	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+IsoProp+Na+H"	84.054008
"994292"	196.607676	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+2ACN+2H"	84.067652
"1600460"	394.116328	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+K+HCOOH"	84.968628
"1421745"	424.147838	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+H+CF3COOH"	115.000138
"1158595"	217.120951	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+3ACN+2H"	125.094202
"1705959"	441.174385	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+NH4+CF3COOH"	132.026685
"1635416"	446.12978	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+Na+CF3COOH"	136.98208
"1575077"	462.10372	"C17380"	"Diacetylaminoazotoluene;Pellidole;Periphermine"	"C18H19N3O2"	"309.1477"	"M+K+CF3COOH"	152.95602
"805443"	60.987	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M"	0
"978975"	41.96861	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-H2O-H"	-19.01839
"74874"	39.650724	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M-3H"	-3.021828
"512250"	59.979724	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M-3H"	-3.021828
"887864"	19.321724	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-3H"	-3.021828
"3155"	59.979724	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M-2H"	-2.014552
"443444"	90.473224	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M-2H"	-2.014552
"822709"	29.486224	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-2H"	-2.014552
"87076"	120.966724	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M-H"	-1.007276
"527731"	181.953724	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M-H"	-1.007276
"904439"	59.979724	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-H"	-1.007276
"57722"	137.993271	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M-2H+NH4"	16.019271
"500198"	198.980271	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M-2H+NH4"	16.019271
"876174"	77.006271	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-2H+NH4"	16.019271
"41888"	142.948666	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M-2H+Na"	20.974666
"480356"	203.935666	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M-2H+Na"	20.974666
"851963"	81.961666	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-2H+Na"	20.974666
"1624413"	81.961666	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Na-2H"	20.974666
"103130"	77.968063	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M-H+Cl"	33.962126
"541598"	108.461563	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M-H+Cl"	33.962126
"928554"	47.474563	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-H+Cl"	33.962126
"272577"	156.943402	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+Cl"	34.969402
"662811"	217.930402	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+Cl"	34.969402
"1274119"	95.956402	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Cl"	34.969402
"17767"	158.922606	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M-2H+K"	36.948606
"458415"	219.909606	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M-2H+K"	36.948606
"834881"	97.935606	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-2H+K"	36.948606
"1556429"	97.935606	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+K-2H"	36.948606
"950886"	105.985194	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-H+HCOOH"	44.998194
"366914"	166.972201	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+HCOOH-H"	44.998201
"354078"	180.987851	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+Hac-H"	59.013851
"1502912"	120.000851	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Hac-H"	59.013851
"972280"	127.967151	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-H+NaCOOH"	66.980151
"123009"	95.956402	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+2Cl"	69.938804
"565134"	126.449902	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+2Cl"	69.938804
"1036115"	65.462902	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2Cl"	69.938804
"1251681"	139.905885	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Br"	78.918885
"1315221"	141.961872	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Cl+HCOOH"	80.974872
"1326156"	163.943829	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Cl+NaCOOH"	102.956829
"919401"	173.972586	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M-H+CF3COOH"	112.985586
"1295016"	209.949264	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Cl+CF3COOH"	148.962264
"1380836"	25.974324	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H-2H2O"	-35.012676
"1393958"	43.9843	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H-H2O"	-17.0027
"297293"	122.981276	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+H"	1.007276
"684607"	183.968276	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+H"	1.007276
"1362779"	61.994276	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H"	1.007276
"135302"	61.994276	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+2H"	2.014552
"578510"	92.487776	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+2H"	2.014552
"1044754"	31.500776	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2H"	2.014552
"219469"	41.665276	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+3H"	3.021828
"659637"	61.994276	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+3H"	3.021828
"1169256"	21.336276	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+3H"	3.021828
"431437"	140.007823	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+NH4"	18.033823
"796807"	200.994823	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+NH4"	18.033823
"1692045"	79.020823	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+NH4"	18.033823
"341416"	70.5075495	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+H+NH4"	19.041099
"732746"	101.0010495	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+H+NH4"	19.041099
"1487661"	40.0140495	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H+NH4"	19.041099
"404154"	144.963218	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+Na"	22.989218
"764054"	205.950218	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+Na"	22.989218
"1607778"	83.976218	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Na"	22.989218
"321098"	72.985247	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+H+Na"	23.996494
"711333"	103.478747	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+H+Na"	23.996494
"1465152"	42.491747	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H+Na"	23.996494
"1057304"	28.66359	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2H+Na"	25.00377
"1260803"	94.020486	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+CH3OH+H"	33.033486
"377390"	160.937158	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+K"	38.963158
"739276"	221.924158	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+K"	38.963158
"1540967"	99.950158	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+K"	38.963158
"303611"	80.972217	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+H+K"	39.970434
"697496"	111.465717	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+H+K"	39.970434
"1450587"	50.478717	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H+K"	39.970434
"236999"	164.007826	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+ACN+H"	42.033826
"1212624"	103.020826	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+ACN+H"	42.033826
"1199792"	52.014051	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+ACN+2H"	43.041102
"189375"	166.94516	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+2Na-H"	44.97116
"629670"	227.93216	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+2Na-H"	44.97116
"1133542"	105.95816	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2Na-H"	44.97116
"174645"	83.976218	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+2Na"	45.978436
"622229"	114.469718	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+2Na"	45.978436
"1122095"	53.482718	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2Na"	45.978436
"1403796"	35.990904	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H+2Na"	46.985712
"1431903"	107.999746	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H+HCOOH"	47.012746
"222691"	89.00924	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+3H2O+2H"	56.04448
"1509659"	122.05179	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+IsoProp+H"	61.06479
"412989"	91.963188	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+Na+K"	61.952376
"775447"	122.456688	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+Na+K"	61.952376
"1671775"	61.469688	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Na+K"	61.952376
"257201"	185.989768	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+ACN+Na"	64.015768
"1226508"	125.002768	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+ACN+Na"	64.015768
"1714422"	125.026293	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+NH4+HCOOH"	64.039293
"1180871"	43.318218	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+3Na"	68.967654
"1650596"	129.981688	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Na+HCOOH"	68.994688
"160908"	198.89304	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+2K-H"	76.91904
"597221"	259.88004	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+2K-H"	76.91904
"1084518"	137.90604	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2K-H"	76.91904
"143984"	99.950158	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"2M+2K"	77.926316
"583545"	130.443658	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"3M+2K"	77.926316
"1072431"	69.456658	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2K"	77.926316
"1102359"	139.920592	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2K+H"	78.933592
"1338014"	140.008207	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+DMSO+H"	79.021207
"1006543"	144.047376	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2ACN+H"	83.060376
"1526496"	145.041008	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+IsoProp+Na+H"	84.054008
"994038"	72.527326	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+2ACN+2H"	84.067652
"1595103"	145.955628	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+K+HCOOH"	84.968628
"1419667"	175.987138	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+H+CF3COOH"	115.000138
"1148861"	93.040601	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+3ACN+2H"	125.094202
"1703882"	193.013685	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+NH4+CF3COOH"	132.026685
"1635526"	197.96908	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+Na+CF3COOH"	136.98208
"1575187"	213.94302	"C17381"	"Dihydroxyaluminum"	"Al(OH)2"	"60.987"	"M+K+CF3COOH"	152.95602
"808833"	233.9827	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M"	0
"980178"	214.96431	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-H2O-H"	-19.01839
"72797"	154.981190666667	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M-3H"	-3.021828
"515640"	232.975424	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M-3H"	-3.021828
"889067"	76.9869573333333	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-3H"	-3.021828
"5454"	232.975424	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M-2H"	-2.014552
"445015"	349.966774	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M-2H"	-2.014552
"828286"	115.984074	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-2H"	-2.014552
"91559"	466.958124	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M-H"	-1.007276
"533187"	700.940824	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M-H"	-1.007276
"910952"	232.975424	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-H"	-1.007276
"61845"	483.984671	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M-2H+NH4"	16.019271
"501649"	717.967371	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M-2H+NH4"	16.019271
"878838"	250.001971	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-2H+NH4"	16.019271
"43091"	488.940066	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M-2H+Na"	20.974666
"484477"	722.922766	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M-2H+Na"	20.974666
"857176"	254.957366	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-2H+Na"	20.974666
"1621607"	254.957366	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Na-2H"	20.974666
"104334"	250.963763	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M-H+Cl"	33.962126
"547905"	367.955113	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M-H+Cl"	33.962126
"940327"	133.972413	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-H+Cl"	33.962126
"278154"	502.934802	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+Cl"	34.969402
"673855"	736.917502	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+Cl"	34.969402
"1285165"	268.952102	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Cl"	34.969402
"20067"	504.914006	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M-2H+K"	36.948606
"458531"	738.896706	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M-2H+K"	36.948606
"834143"	270.931306	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-2H+K"	36.948606
"1556298"	270.931306	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+K-2H"	36.948606
"950997"	278.980894	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-H+HCOOH"	44.998194
"367025"	512.963601	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+HCOOH-H"	44.998201
"350909"	526.979251	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+Hac-H"	59.013851
"1501929"	292.996551	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Hac-H"	59.013851
"973118"	300.962851	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-H+NaCOOH"	66.980151
"123483"	268.952102	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+2Cl"	69.938804
"563784"	385.943452	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+2Cl"	69.938804
"1035134"	151.960752	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2Cl"	69.938804
"1253978"	312.901585	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Br"	78.918885
"1317887"	314.957572	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Cl+HCOOH"	80.974872
"1330640"	336.939529	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Cl+NaCOOH"	102.956829
"921698"	346.968286	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M-H+CF3COOH"	112.985586
"1296219"	382.944964	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Cl+CF3COOH"	148.962264
"1381192"	198.970024	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H-2H2O"	-35.012676
"1394796"	216.98	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H-H2O"	-17.0027
"297034"	468.972676	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+H"	1.007276
"687996"	702.955376	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+H"	1.007276
"1360336"	234.989976	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H"	1.007276
"138328"	234.989976	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+2H"	2.014552
"576065"	351.981326	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+2H"	2.014552
"1044864"	117.998626	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2H"	2.014552
"218974"	156.995742666667	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+3H"	3.021828
"659588"	234.989976	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+3H"	3.021828
"1172646"	79.0015093333333	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+3H"	3.021828
"433734"	485.999223	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+NH4"	18.033823
"798011"	719.981923	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+NH4"	18.033823
"1693249"	252.016523	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+NH4"	18.033823
"338246"	243.5032495	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+H+NH4"	19.041099
"729576"	360.4945995	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+H+NH4"	19.041099
"1488864"	126.5118995	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H+NH4"	19.041099
"406086"	490.954618	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+Na"	22.989218
"765257"	724.937318	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+Na"	22.989218
"1606795"	256.971918	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Na"	22.989218
"322302"	245.980947	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+H+Na"	23.996494
"713629"	362.972297	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+H+Na"	23.996494
"1464534"	128.989597	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H+Na"	23.996494
"1058508"	86.3288233333333	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2H+Na"	25.00377
"1263467"	267.016186	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+CH3OH+H"	33.033486
"380948"	506.928558	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+K"	38.963158
"747411"	740.911258	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+K"	38.963158
"1546909"	272.945858	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+K"	38.963158
"304087"	253.967917	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+H+K"	39.970434
"695419"	370.959267	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+H+K"	39.970434
"1449967"	136.976567	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H+K"	39.970434
"236743"	509.999226	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+ACN+H"	42.033826
"1211272"	276.016526	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+ACN+H"	42.033826
"1196619"	138.511901	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+ACN+2H"	43.041102
"189847"	512.93656	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+2Na-H"	44.97116
"629655"	746.91926	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+2Na-H"	44.97116
"1132430"	278.95386	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2Na-H"	44.97116
"175481"	256.971918	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+2Na"	45.978436
"622339"	373.963268	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+2Na"	45.978436
"1120384"	139.980568	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2Na"	45.978436
"1402812"	93.6561373333333	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H+2Na"	46.985712
"1430916"	280.995446	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H+HCOOH"	47.012746
"222435"	262.00494	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+3H2O+2H"	56.04448
"1508712"	295.04749	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+IsoProp+H"	61.06479
"415651"	264.958888	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+Na+K"	61.952376
"777740"	381.950238	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+Na+K"	61.952376
"1672246"	147.967538	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Na+K"	61.952376
"256582"	531.981168	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+ACN+Na"	64.015768
"1230018"	297.998468	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+ACN+Na"	64.015768
"1715987"	298.021993	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+NH4+HCOOH"	64.039293
"1182437"	100.983451333333	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+3Na"	68.967654
"1654153"	302.977388	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Na+HCOOH"	68.994688
"162111"	544.88444	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+2K-H"	76.91904
"597247"	778.86714	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+2K-H"	76.91904
"1084591"	310.90174	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2K-H"	76.91904
"143000"	272.945858	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"2M+2K"	77.926316
"584748"	389.937208	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"3M+2K"	77.926316
"1073634"	155.954508	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2K"	77.926316
"1105749"	312.916292	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2K+H"	78.933592
"1339947"	313.003907	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+DMSO+H"	79.021207
"1008477"	317.043076	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2ACN+H"	83.060376
"1527699"	318.036708	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+IsoProp+Na+H"	84.054008
"994147"	159.025176	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+2ACN+2H"	84.067652
"1595212"	318.951328	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+K+HCOOH"	84.968628
"1419777"	348.982838	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+H+CF3COOH"	115.000138
"1151158"	179.538451	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+3ACN+2H"	125.094202
"1701803"	366.009385	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+NH4+CF3COOH"	132.026685
"1637458"	370.96478	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+Na+CF3COOH"	136.98208
"1575297"	386.93872	"C17382"	"Ferrous lactate"	"C6H10FeO6"	"233.9827"	"M+K+CF3COOH"	152.95602
"805663"	154.8849	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M"	0
"980288"	135.86651	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-H2O-H"	-19.01839
"71813"	102.249324	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M-3H"	-3.021828
"513563"	153.877624	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M-3H"	-3.021828
"889177"	50.621024	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-3H"	-3.021828
"3376"	153.877624	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M-2H"	-2.014552
"447312"	231.320074	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M-2H"	-2.014552
"821835"	76.435174	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-2H"	-2.014552
"88388"	308.762524	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M-H"	-1.007276
"529042"	463.647424	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M-H"	-1.007276
"906844"	153.877624	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-H"	-1.007276
"61949"	325.789071	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M-2H+NH4"	16.019271
"502001"	480.673971	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M-2H+NH4"	16.019271
"878947"	170.904171	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-2H+NH4"	16.019271
"44294"	330.744466	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M-2H+Na"	20.974666
"485316"	485.629366	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M-2H+Na"	20.974666
"857287"	175.859566	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-2H+Na"	20.974666
"1626820"	175.859566	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Na-2H"	20.974666
"104444"	171.865963	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M-H+Cl"	33.962126
"548137"	249.308413	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M-H+Cl"	33.962126
"941410"	94.423513	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-H+Cl"	33.962126
"279723"	344.739202	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+Cl"	34.969402
"673601"	499.624102	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+Cl"	34.969402
"1283088"	189.854302	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Cl"	34.969402
"22364"	346.718406	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M-2H+K"	36.948606
"459736"	501.603306	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M-2H+K"	36.948606
"834618"	191.833506	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-2H+K"	36.948606
"1557745"	191.833506	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+K-2H"	36.948606
"956211"	199.883094	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-H+HCOOH"	44.998194
"372603"	354.768001	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+HCOOH-H"	44.998201
"354299"	368.783651	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+Hac-H"	59.013851
"1506049"	213.898751	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Hac-H"	59.013851
"973474"	221.865051	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-H+NaCOOH"	66.980151
"125056"	189.854302	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+2Cl"	69.938804
"564626"	267.296752	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+2Cl"	69.938804
"1036337"	112.411852	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2Cl"	69.938804
"1255187"	233.803785	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Br"	78.918885
"1318363"	235.859772	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Cl+HCOOH"	80.974872
"1335133"	257.841729	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Cl+NaCOOH"	102.956829
"924730"	267.870486	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M-H+CF3COOH"	112.985586
"1302532"	303.847164	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Cl+CF3COOH"	148.962264
"1376679"	119.872224	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H-2H2O"	-35.012676
"1395637"	137.8822	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H-H2O"	-17.0027
"297149"	310.777076	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+H"	1.007276
"688840"	465.661976	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+H"	1.007276
"1362272"	155.892176	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H"	1.007276
"135522"	155.892176	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+2H"	2.014552
"577635"	233.334626	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+2H"	2.014552
"1048254"	78.449726	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2H"	2.014552
"219326"	104.263876	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+3H"	3.021828
"657918"	155.892176	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+3H"	3.021828
"1175670"	52.635576	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+3H"	3.021828
"436389"	327.803623	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+NH4"	18.033823
"797757"	482.688523	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+NH4"	18.033823
"1690077"	172.918723	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+NH4"	18.033823
"335076"	164.4054495	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+H+NH4"	19.041099
"735883"	241.8478995	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+H+NH4"	19.041099
"1488975"	86.9629995	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H+NH4"	19.041099
"406925"	332.759018	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+Na"	22.989218
"766461"	487.643918	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+Na"	22.989218
"1612372"	177.874118	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Na"	22.989218
"324599"	166.883147	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+H+Na"	23.996494
"717021"	244.325597	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+H+Na"	23.996494
"1471934"	89.440697	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H+Na"	23.996494
"1062991"	59.96289	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2H+Na"	25.00377
"1269045"	187.918386	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+CH3OH+H"	33.033486
"390900"	348.732958	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+K"	38.963158
"750801"	503.617858	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+K"	38.963158
"1545926"	193.848058	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+K"	38.963158
"304565"	174.870117	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+H+K"	39.970434
"695165"	252.312567	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+H+K"	39.970434
"1447891"	97.427667	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H+K"	39.970434
"236126"	351.803626	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+ACN+H"	42.033826
"1210288"	196.918726	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+ACN+H"	42.033826
"1196729"	98.963001	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+ACN+2H"	43.041102
"189029"	354.74096	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+2Na-H"	44.97116
"629891"	509.62586	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+2Na-H"	44.97116
"1132422"	199.85606	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2Na-H"	44.97116
"174498"	177.874118	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+2Na"	45.978436
"623543"	255.316568	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+2Na"	45.978436
"1125960"	100.431668	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2Na"	45.978436
"1405108"	67.290204	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H+2Na"	46.985712
"1437225"	201.897646	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H+HCOOH"	47.012746
"225827"	182.90714	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+3H2O+2H"	56.04448
"1514983"	215.94969	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+IsoProp+H"	61.06479
"419042"	185.861088	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+Na+K"	61.952376
"777851"	263.303538	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+Na+K"	61.952376
"1673087"	108.418638	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Na+K"	61.952376
"263618"	373.785568	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+ACN+Na"	64.015768
"1237784"	218.900668	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+ACN+Na"	64.015768
"1722297"	218.924193	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+NH4+HCOOH"	64.039293
"1187651"	74.617518	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+3Na"	68.967654
"1657544"	223.879588	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Na+HCOOH"	68.994688
"161128"	386.68884	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+2K-H"	76.91904
"601781"	541.57374	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+2K-H"	76.91904
"1089572"	231.80394	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2K-H"	76.91904
"143110"	193.848058	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"2M+2K"	77.926316
"583764"	271.290508	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"3M+2K"	77.926316
"1071557"	116.405608	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2K"	77.926316
"1105859"	233.818492	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2K+H"	78.933592
"1336530"	233.906107	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+DMSO+H"	79.021207
"1005755"	237.945276	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2ACN+H"	83.060376
"1527806"	238.938908	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+IsoProp+Na+H"	84.054008
"990403"	119.476276	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+2ACN+2H"	84.067652
"1589851"	239.853528	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+K+HCOOH"	84.968628
"1415266"	269.885038	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+H+CF3COOH"	115.000138
"1151267"	139.989551	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+3ACN+2H"	125.094202
"1699725"	286.911585	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+NH4+CF3COOH"	132.026685
"1637569"	291.86698	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+Na+CF3COOH"	136.98208
"1575407"	307.84092	"C17383"	"Cobaltous sulfate"	"CoSO4"	"154.8849"	"M+K+CF3COOH"	152.95602
"805773"	154.1358	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M"	0
"981492"	135.11741	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"69737"	101.749924	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"514766"	153.128524	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"890382"	50.371324	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"15033"	153.128524	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"444143"	230.196424	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"821944"	76.060624	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"85218"	307.264324	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"523685"	461.400124	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"905861"	153.128524	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"60237"	324.290871	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"500409"	478.426671	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"877237"	170.155071	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"43313"	329.246266	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"483241"	483.382066	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"854117"	175.110466	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1622920"	175.110466	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"103462"	171.116863	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"545211"	248.184763	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"932164"	94.048963	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"276188"	343.241002	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"669703"	497.376802	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1279919"	189.105202	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"25755"	345.220206	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"459846"	499.356006	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"834366"	191.084406	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1555660"	191.084406	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"953405"	199.133994	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"369433"	353.269801	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"355138"	367.285451	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1506159"	213.149651	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"973748"	221.115951	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"125405"	189.105202	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"565427"	266.173102	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1036573"	112.037302	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1254931"	233.054685	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1317379"	235.110672	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1334879"	257.092629	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"925936"	267.121386	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1303372"	303.098064	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1376425"	119.123124	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1396111"	137.1331	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"297139"	309.278876	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"688949"	463.414676	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1363839"	155.143076	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H"	1.007276
"132351"	155.143076	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"577016"	232.210976	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1048731"	78.075176	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"219072"	103.764476	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"658997"	155.143076	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1173594"	52.385876	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"436864"	326.305423	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"797868"	480.441223	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1691281"	172.169623	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"338466"	163.6563495	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"736723"	240.7242495	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1490179"	86.5884495	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"404485"	331.260818	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"766207"	485.396618	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1612482"	177.125018	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"325804"	166.134047	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"718224"	243.201947	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1473138"	89.066147	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1066383"	59.71319	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1270248"	187.169286	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"388825"	347.234758	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"746538"	501.370558	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1546402"	193.098958	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+K"	38.963158
"307955"	174.121017	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"694547"	251.188917	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1447273"	97.053117	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"237695"	350.305426	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1211497"	196.169626	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1196839"	98.588451	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"189101"	353.24276	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"632922"	507.37856	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1133632"	199.10696	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"181908"	177.125018	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"623654"	254.192918	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1123883"	100.057118	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1406315"	67.040504	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1438429"	201.148546	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"228125"	182.15804	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1515093"	215.20059	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"419519"	185.111988	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"779786"	262.179888	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1674292"	108.044088	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"262635"	372.287368	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1234614"	218.151568	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1725688"	218.175093	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1189948"	74.367818	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1662028"	223.130488	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"163425"	385.19064	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"604077"	539.32644	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1091869"	231.05484	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"148688"	193.098958	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"587155"	270.166858	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1072762"	116.031058	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1108156"	233.069392	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1340166"	233.157007	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1008697"	237.196176	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1527916"	238.189808	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"997647"	119.101726	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1589961"	239.104428	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1419997"	269.135938	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1154659"	139.615001	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1704211"	286.162485	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1647520"	291.11788	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1578797"	307.09182	"C17384"	"Citronellal"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"813539"	169.0375	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M"	0
"982699"	150.01911	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H2O-H"	-19.01839
"75313"	111.684390666667	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-3H"	-3.021828
"509409"	168.030224	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-3H"	-3.021828
"886113"	55.3385573333333	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-3H"	-3.021828
"10155"	168.030224	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H"	-2.014552
"443160"	252.548974	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H"	-2.014552
"822055"	83.511474	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H"	-2.014552
"91889"	337.067724	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-H"	-1.007276
"529263"	506.105224	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-H"	-1.007276
"909985"	168.030224	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H"	-1.007276
"61565"	354.094271	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H+NH4"	16.019271
"497722"	523.131771	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H+NH4"	16.019271
"878685"	185.056771	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H+NH4"	16.019271
"45493"	359.049666	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H+Na"	20.974666
"483714"	528.087166	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H+Na"	20.974666
"857509"	190.012166	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H+Na"	20.974666
"1629230"	190.012166	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na-2H"	20.974666
"102480"	186.018563	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-H+Cl"	33.962126
"538761"	270.537313	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-H+Cl"	33.962126
"932276"	101.499813	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+Cl"	33.962126
"267672"	373.044402	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Cl"	34.969402
"662159"	542.081902	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+Cl"	34.969402
"1277841"	204.006902	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl"	34.969402
"23676"	375.023606	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H+K"	36.948606
"456671"	544.061106	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H+K"	36.948606
"833134"	205.986106	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H+K"	36.948606
"1555829"	205.986106	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K-2H"	36.948606
"949139"	214.035694	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+HCOOH"	44.998194
"372458"	383.073201	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+HCOOH-H"	44.998201
"357435"	397.088851	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Hac-H"	59.013851
"1506998"	228.051351	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Hac-H"	59.013851
"973650"	236.017651	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+NaCOOH"	66.980151
"125662"	204.006902	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2Cl"	69.938804
"564354"	288.525652	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2Cl"	69.938804
"1035099"	119.488152	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2Cl"	69.938804
"1256138"	247.956385	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Br"	78.918885
"1318945"	250.012372	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl+HCOOH"	80.974872
"1329879"	271.994329	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl+NaCOOH"	102.956829
"924948"	282.023086	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+CF3COOH"	112.985586
"1302754"	317.999764	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl+CF3COOH"	148.962264
"1380545"	134.024824	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H-2H2O"	-35.012676
"1394396"	152.0348	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H-H2O"	-17.0027
"295907"	339.082276	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H"	1.007276
"686870"	508.119776	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H"	1.007276
"1363218"	170.044776	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H"	1.007276
"138294"	170.044776	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2H"	2.014552
"576394"	254.563526	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2H"	2.014552
"1048473"	85.526026	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2H"	2.014552
"218208"	113.698942666667	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+3H"	3.021828
"658496"	170.044776	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+3H"	3.021828
"1167506"	57.3531093333333	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+3H"	3.021828
"428590"	356.108823	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+NH4"	18.033823
"796155"	525.146323	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+NH4"	18.033823
"1689203"	187.071323	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+NH4"	18.033823
"338212"	178.5580495	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H+NH4"	19.041099
"733551"	263.0767995	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H+NH4"	19.041099
"1486642"	94.0392995	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+NH4"	19.041099
"402409"	361.064218	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Na"	22.989218
"767047"	530.101718	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+Na"	22.989218
"1614416"	192.026718	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na"	22.989218
"327372"	181.035747	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H+Na"	23.996494
"718335"	265.554497	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H+Na"	23.996494
"1471427"	96.516997	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+Na"	23.996494
"1064305"	64.6804233333333	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2H+Na"	25.00377
"1265986"	202.070986	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+CH3OH+H"	33.033486
"387477"	377.038158	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+K"	38.963158
"743007"	546.075658	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+K"	38.963158
"1546513"	208.000658	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K"	38.963158
"305876"	189.022717	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H+K"	39.970434
"691655"	273.541467	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H+K"	39.970434
"1446653"	104.503967	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+K"	39.970434
"235719"	380.108826	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+ACN+H"	42.033826
"1212338"	211.071326	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+ACN+H"	42.033826
"1194802"	106.039301	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+ACN+2H"	43.041102
"189130"	383.04616	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2Na-H"	44.97116
"632302"	552.08366	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2Na-H"	44.97116
"1134104"	214.00866	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2Na-H"	44.97116
"180924"	192.026718	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2Na"	45.978436
"623400"	276.545468	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2Na"	45.978436
"1122900"	107.507968	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2Na"	45.978436
"1405331"	72.0077373333333	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+2Na"	46.985712
"1438539"	216.050246	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+HCOOH"	47.012746
"228964"	197.05974	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+3H2O+2H"	56.04448
"1515203"	230.10229	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+IsoProp+H"	61.06479
"417076"	200.013688	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Na+K"	61.952376
"780624"	284.532438	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+Na+K"	61.952376
"1675497"	115.494938	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na+K"	61.952376
"260922"	402.090768	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+ACN+Na"	64.015768
"1237644"	233.053268	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+ACN+Na"	64.015768
"1724708"	233.076793	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+NH4+HCOOH"	64.039293
"1190059"	79.3350513333333	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+3Na"	68.967654
"1662139"	238.032188	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na+HCOOH"	68.994688
"164628"	414.99404	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2K-H"	76.91904
"600907"	584.03154	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2K-H"	76.91904
"1089793"	245.95654	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2K-H"	76.91904
"145882"	208.000658	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2K"	77.926316
"584349"	292.519408	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2K"	77.926316
"1072871"	123.481908	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2K"	77.926316
"1103893"	247.971092	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2K+H"	78.933592
"1339184"	248.058707	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+DMSO+H"	79.021207
"1013183"	252.097876	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2ACN+H"	83.060376
"1531310"	253.091508	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+IsoProp+Na+H"	84.054008
"997758"	126.552576	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2ACN+2H"	84.067652
"1596637"	254.006128	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K+HCOOH"	84.968628
"1424481"	284.037638	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+CF3COOH"	115.000138
"1159144"	147.065851	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+3ACN+2H"	125.094202
"1706509"	301.064185	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+NH4+CF3COOH"	132.026685
"1634191"	306.01958	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na+CF3COOH"	136.98208
"1575627"	321.99352	"C17385"	"2-Methoxy-5-nitrophenol;5-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K+CF3COOH"	152.95602
"809273"	169.0375	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M"	0
"984996"	150.01911	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H2O-H"	-19.01839
"75424"	111.684390666667	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-3H"	-3.021828
"512799"	168.030224	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-3H"	-3.021828
"885132"	55.3385573333333	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-3H"	-3.021828
"5891"	168.030224	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H"	-2.014552
"446550"	252.548974	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H"	-2.014552
"823255"	83.511474	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H"	-2.014552
"92000"	337.067724	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-H"	-1.007276
"529373"	506.105224	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-H"	-1.007276
"910217"	168.030224	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H"	-1.007276
"62285"	354.094271	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H+NH4"	16.019271
"501236"	523.131771	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H+NH4"	16.019271
"879037"	185.056771	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H+NH4"	16.019271
"45602"	359.049666	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H+Na"	20.974666
"483459"	528.087166	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H+Na"	20.974666
"854340"	190.012166	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H+Na"	20.974666
"1629341"	190.012166	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na-2H"	20.974666
"103683"	186.018563	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-H+Cl"	33.962126
"536684"	270.537313	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-H+Cl"	33.962126
"931293"	101.499813	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+Cl"	33.962126
"267456"	373.044402	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Cl"	34.969402
"663362"	542.081902	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+Cl"	34.969402
"1276857"	204.006902	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl"	34.969402
"19413"	375.023606	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M-2H+K"	36.948606
"460065"	544.061106	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M-2H+K"	36.948606
"838960"	205.986106	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-2H+K"	36.948606
"1560259"	205.986106	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K-2H"	36.948606
"943157"	214.035694	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+HCOOH"	44.998194
"374392"	383.073201	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+HCOOH-H"	44.998201
"356451"	397.088851	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Hac-H"	59.013851
"1504191"	228.051351	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Hac-H"	59.013851
"973800"	236.017651	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+NaCOOH"	66.980151
"125146"	204.006902	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2Cl"	69.938804
"563857"	288.525652	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2Cl"	69.938804
"1035935"	119.488152	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2Cl"	69.938804
"1255759"	247.956385	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Br"	78.918885
"1317960"	250.012372	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl+HCOOH"	80.974872
"1331812"	271.994329	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl+NaCOOH"	102.956829
"923598"	282.023086	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M-H+CF3COOH"	112.985586
"1303223"	317.999764	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Cl+CF3COOH"	148.962264
"1379926"	134.024824	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H-2H2O"	-35.012676
"1394506"	152.0348	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H-H2O"	-17.0027
"295652"	339.082276	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H"	1.007276
"685520"	508.119776	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H"	1.007276
"1362962"	170.044776	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H"	1.007276
"138767"	170.044776	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2H"	2.014552
"576504"	254.563526	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2H"	2.014552
"1045303"	85.526026	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2H"	2.014552
"218681"	113.698942666667	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+3H"	3.021828
"658847"	170.044776	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+3H"	3.021828
"1169803"	57.3531093333333	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+3H"	3.021828
"427241"	356.108823	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+NH4"	18.033823
"795167"	525.146323	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+NH4"	18.033823
"1693689"	187.071323	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+NH4"	18.033823
"340874"	178.5580495	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H+NH4"	19.041099
"734026"	263.0767995	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H+NH4"	19.041099
"1484929"	94.0392995	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+NH4"	19.041099
"407381"	361.064218	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Na"	22.989218
"768254"	530.101718	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+Na"	22.989218
"1616837"	192.026718	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na"	22.989218
"327362"	181.035747	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H+Na"	23.996494
"720268"	265.554497	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H+Na"	23.996494
"1470081"	96.516997	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+Na"	23.996494
"1066238"	64.6804233333333	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2H+Na"	25.00377
"1267189"	202.070986	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+CH3OH+H"	33.033486
"386858"	377.038158	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+K"	38.963158
"751130"	546.075658	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+K"	38.963158
"1546625"	208.000658	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K"	38.963158
"304892"	189.022717	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+H+K"	39.970434
"692943"	273.541467	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+H+K"	39.970434
"1447127"	104.503967	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+K"	39.970434
"237552"	380.108826	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+ACN+H"	42.033826
"1211353"	211.071326	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+ACN+H"	42.033826
"1197060"	106.039301	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+ACN+2H"	43.041102
"188916"	383.04616	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2Na-H"	44.97116
"631318"	552.08366	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2Na-H"	44.97116
"1134459"	214.00866	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2Na-H"	44.97116
"183223"	192.026718	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2Na"	45.978436
"623874"	276.545468	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2Na"	45.978436
"1123010"	107.507968	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2Na"	45.978436
"1406169"	72.0077373333333	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+2Na"	46.985712
"1438649"	216.050246	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+HCOOH"	47.012746
"229075"	197.05974	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+3H2O+2H"	56.04448
"1516406"	230.10229	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+IsoProp+H"	61.06479
"419372"	200.013688	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+Na+K"	61.952376
"781099"	284.532438	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+Na+K"	61.952376
"1675607"	115.494938	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na+K"	61.952376
"256658"	402.090768	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+ACN+Na"	64.015768
"1237387"	233.053268	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+ACN+Na"	64.015768
"1726273"	233.076793	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+NH4+HCOOH"	64.039293
"1191263"	79.3350513333333	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+3Na"	68.967654
"1660062"	238.032188	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na+HCOOH"	68.994688
"161458"	414.99404	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2K-H"	76.91904
"603204"	584.03154	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2K-H"	76.91904
"1088810"	245.95654	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2K-H"	76.91904
"145992"	208.000658	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"2M+2K"	77.926316
"585552"	292.519408	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"3M+2K"	77.926316
"1071888"	123.481908	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2K"	77.926316
"1102910"	247.971092	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2K+H"	78.933592
"1340388"	248.058707	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+DMSO+H"	79.021207
"1011106"	252.097876	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2ACN+H"	83.060376
"1528140"	253.091508	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+IsoProp+Na+H"	84.054008
"993493"	126.552576	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+2ACN+2H"	84.067652
"1595653"	254.006128	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K+HCOOH"	84.968628
"1426779"	284.037638	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+H+CF3COOH"	115.000138
"1155973"	147.065851	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+3ACN+2H"	125.094202
"1704432"	301.064185	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+NH4+CF3COOH"	132.026685
"1634656"	306.01958	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+Na+CF3COOH"	136.98208
"1575737"	321.99352	"C17386"	"2-Methoxy-4-nitrophenol;4-Nitroguaiacol"	"C7H7NO4"	"169.0375"	"M+K+CF3COOH"	152.95602
"808290"	622.3043	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M"	0
"982917"	603.28591	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-H2O-H"	-19.01839
"72253"	413.862257333333	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M-3H"	-3.021828
"515093"	621.297024	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M-3H"	-3.021828
"888521"	206.427490666667	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-3H"	-3.021828
"11468"	621.297024	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M-2H"	-2.014552
"446660"	932.449174	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M-2H"	-2.014552
"823366"	310.144874	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-2H"	-2.014552
"93692"	1243.601324	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M-H"	-1.007276
"532521"	1865.905624	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M-H"	-1.007276
"911262"	621.297024	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-H"	-1.007276
"62638"	1260.627871	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M-2H+NH4"	16.019271
"502528"	1882.932171	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M-2H+NH4"	16.019271
"877931"	638.323571	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-2H+NH4"	16.019271
"46440"	1265.583266	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M-2H+Na"	20.974666
"486121"	1887.887566	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M-2H+Na"	20.974666
"859916"	643.278966	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-2H+Na"	20.974666
"1632369"	643.278966	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Na-2H"	20.974666
"107073"	639.285363	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M-H+Cl"	33.962126
"542261"	950.437513	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M-H+Cl"	33.962126
"932496"	328.133213	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-H+Cl"	33.962126
"268257"	1279.578002	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+Cl"	34.969402
"662379"	1901.882302	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+Cl"	34.969402
"1276967"	657.273702	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Cl"	34.969402
"22803"	1281.557206	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M-2H+K"	36.948606
"460175"	1903.861506	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M-2H+K"	36.948606
"842350"	659.252906	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-2H+K"	36.948606
"1560369"	659.252906	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+K-2H"	36.948606
"943393"	667.302494	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-H+HCOOH"	44.998194
"374136"	1289.606801	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+HCOOH-H"	44.998201
"359235"	1303.622451	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+Hac-H"	59.013851
"1506002"	681.318151	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Hac-H"	59.013851
"973669"	689.284451	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-H+NaCOOH"	66.980151
"125005"	657.273702	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+2Cl"	69.938804
"564698"	968.425852	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+2Cl"	69.938804
"1036777"	346.121552	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2Cl"	69.938804
"1255992"	701.223185	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Br"	78.918885
"1319169"	703.279172	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Cl+HCOOH"	80.974872
"1333379"	725.261129	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Cl+NaCOOH"	102.956829
"926265"	735.289886	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M-H+CF3COOH"	112.985586
"1303580"	771.266564	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Cl+CF3COOH"	148.962264
"1381859"	587.291624	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H-2H2O"	-35.012676
"1395346"	605.3016	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H-H2O"	-17.0027
"295032"	1245.615876	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+H"	1.007276
"687820"	1867.920176	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+H"	1.007276
"1364897"	623.311576	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H"	1.007276
"138514"	623.311576	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+2H"	2.014552
"579169"	934.463726	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+2H"	2.014552
"1050881"	312.159426	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2H"	2.014552
"213315"	415.876809333333	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+3H"	3.021828
"657863"	623.311576	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+3H"	3.021828
"1169913"	208.442042666667	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+3H"	3.021828
"432090"	1262.642423	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+NH4"	18.033823
"796367"	1884.946723	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+NH4"	18.033823
"1691607"	640.338123	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+NH4"	18.033823
"343170"	631.8248495	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+H+NH4"	19.041099
"737052"	942.9769995	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+H+NH4"	19.041099
"1490142"	320.6726995	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H+NH4"	19.041099
"408097"	1267.597818	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+Na"	22.989218
"769091"	1889.902118	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+Na"	22.989218
"1617189"	645.293518	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Na"	22.989218
"328441"	634.302547	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+H+Na"	23.996494
"720375"	945.454697	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+H+Na"	23.996494
"1475902"	323.150397	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H+Na"	23.996494
"1068405"	215.769356666667	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2H+Na"	25.00377
"1271550"	655.337786	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+CH3OH+H"	33.033486
"391948"	1283.571758	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+K"	38.963158
"749053"	1905.876058	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+K"	38.963158
"1550015"	661.267458	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+K"	38.963158
"303908"	642.289517	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+H+K"	39.970434
"697428"	953.441667	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+H+K"	39.970434
"1451248"	331.137367	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H+K"	39.970434
"239850"	1286.642426	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+ACN+H"	42.033826
"1215839"	664.338126	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+ACN+H"	42.033826
"1201909"	332.672701	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+ACN+2H"	43.041102
"191500"	1289.57976	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+2Na-H"	44.97116
"634345"	1911.88406	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+2Na-H"	44.97116
"1137850"	667.27546	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2Na-H"	44.97116
"185642"	645.293518	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+2Na"	45.978436
"626171"	956.445668	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+2Na"	45.978436
"1125306"	334.141368	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2Na"	45.978436
"1406643"	223.096670666667	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H+2Na"	46.985712
"1439854"	669.317046	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H+HCOOH"	47.012746
"230643"	650.32654	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+3H2O+2H"	56.04448
"1515423"	683.36909	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+H"	61.06479
"419483"	653.280488	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+Na+K"	61.952376
"783032"	964.432638	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+Na+K"	61.952376
"1678997"	342.128338	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Na+K"	61.952376
"261141"	1308.624368	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+ACN+Na"	64.015768
"1239927"	686.320068	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+ACN+Na"	64.015768
"1728085"	686.343593	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+NH4+HCOOH"	64.039293
"1192469"	230.423984666667	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+3Na"	68.967654
"1664426"	691.298988	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Na+HCOOH"	68.994688
"165942"	1321.52764	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+2K-H"	76.91904
"606594"	1943.83194	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+2K-H"	76.91904
"1092200"	699.22334	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2K-H"	76.91904
"151205"	661.267458	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"2M+2K"	77.926316
"585298"	972.419608	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"3M+2K"	77.926316
"1074186"	350.115308	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2K"	77.926316
"1104116"	701.237892	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2K+H"	78.933592
"1338676"	701.325507	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+DMSO+H"	79.021207
"1009756"	705.364676	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2ACN+H"	83.060376
"1528249"	706.358308	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+IsoProp+Na+H"	84.054008
"996883"	353.185976	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+2ACN+2H"	84.067652
"1593575"	707.272928	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+K+HCOOH"	84.968628
"1421422"	737.304438	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+H+CF3COOH"	115.000138
"1161187"	373.699251	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+3ACN+2H"	125.094202
"1701262"	754.330985	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+NH4+CF3COOH"	132.026685
"1634726"	759.28638	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+Na+CF3COOH"	136.98208
"1575847"	775.26032	"C17387"	"Cycleanine"	"C38H42N2O6"	"622.3043"	"M+K+CF3COOH"	152.95602
"812774"	426.0322	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M"	0
"987401"	407.01381	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H2O-H"	-19.01839
"74552"	283.014190666667	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-3H"	-3.021828
"508641"	425.024924	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-3H"	-3.021828
"886444"	141.003457333333	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-3H"	-3.021828
"6112"	425.024924	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H"	-2.014552
"448957"	638.041024	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H"	-2.014552
"827853"	212.008824	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H"	-2.014552
"93809"	851.057124	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-H"	-1.007276
"534073"	1277.089324	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-H"	-1.007276
"910560"	425.024924	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H"	-1.007276
"62713"	868.083671	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H+NH4"	16.019271
"502147"	1294.115871	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H+NH4"	16.019271
"879878"	442.051471	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H+NH4"	16.019271
"46961"	873.039066	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H+Na"	20.974666
"484775"	1299.071266	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H+Na"	20.974666
"860025"	447.006866	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H+Na"	20.974666
"1633654"	447.006866	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na-2H"	20.974666
"107914"	443.013263	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-H+Cl"	33.962126
"548204"	656.029363	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-H+Cl"	33.962126
"939164"	229.997163	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+Cl"	33.962126
"273349"	887.033802	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Cl"	34.969402
"664676"	1313.066002	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+Cl"	34.969402
"1279264"	461.001602	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl"	34.969402
"24006"	889.013006	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H+K"	36.948606
"464660"	1315.045206	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H+K"	36.948606
"838087"	462.980806	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H+K"	36.948606
"1561574"	462.980806	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K-2H"	36.948606
"943623"	471.030394	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+HCOOH"	44.998194
"372058"	897.062601	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+HCOOH-H"	44.998201
"357035"	911.078251	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Hac-H"	59.013851
"1506719"	485.046051	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Hac-H"	59.013851
"972439"	493.012351	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+NaCOOH"	66.980151
"125600"	461.001602	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2Cl"	69.938804
"565632"	674.017702	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2Cl"	69.938804
"1037011"	247.985502	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2Cl"	69.938804
"1256995"	504.951085	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Br"	78.918885
"1319280"	507.007072	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl+HCOOH"	80.974872
"1334588"	528.989029	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl+NaCOOH"	102.956829
"926370"	539.017786	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+CF3COOH"	112.985586
"1303081"	574.994464	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl+CF3COOH"	148.962264
"1377230"	391.019524	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H-2H2O"	-35.012676
"1393999"	409.0295	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H-H2O"	-17.0027
"294415"	853.071676	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H"	1.007276
"686107"	1279.103876	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H"	1.007276
"1360633"	427.039476	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H"	1.007276
"136802"	427.039476	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2H"	2.014552
"578916"	640.055576	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2H"	2.014552
"1051604"	214.023376	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2H"	2.014552
"218895"	285.028742666667	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+3H"	3.021828
"659065"	427.039476	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+3H"	3.021828
"1172208"	143.018009333333	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+3H"	3.021828
"435481"	870.098223	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+NH4"	18.033823
"798667"	1296.130423	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+NH4"	18.033823
"1690626"	444.066023	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+NH4"	18.033823
"342915"	435.5527495	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H+NH4"	19.041099
"736799"	648.5688495	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H+NH4"	19.041099
"1492403"	222.5366495	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+NH4"	19.041099
"406018"	875.053618	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Na"	22.989218
"767743"	1301.085818	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+Na"	22.989218
"1612923"	449.021418	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na"	22.989218
"328307"	438.030447	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H+Na"	23.996494
"718662"	651.046547	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H+Na"	23.996494
"1468108"	225.014347	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+Na"	23.996494
"1060261"	150.345323333333	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2H+Na"	25.00377
"1272737"	459.065686	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+CH3OH+H"	33.033486
"392548"	891.027558	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+K"	38.963158
"752448"	1317.059758	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+K"	38.963158
"1547944"	464.995358	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K"	38.963158
"307303"	446.017417	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H+K"	39.970434
"699727"	659.033517	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H+K"	39.970434
"1450264"	233.001317	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+K"	39.970434
"245429"	894.098226	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+ACN+H"	42.033826
"1220327"	468.066026	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+ACN+H"	42.033826
"1207490"	234.536651	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+ACN+2H"	43.041102
"194892"	897.03556	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2Na-H"	44.97116
"636642"	1323.06776	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2Na-H"	44.97116
"1142340"	471.00336	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2Na-H"	44.97116
"185631"	449.021418	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2Na"	45.978436
"624099"	662.037518	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2Na"	45.978436
"1119950"	236.005318	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2Na"	45.978436
"1401287"	157.672637333333	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+2Na"	46.985712
"1437777"	473.044946	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+HCOOH"	47.012746
"230753"	454.05444	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+3H2O+2H"	56.04448
"1521001"	487.09699	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+IsoProp+H"	61.06479
"419593"	457.008388	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Na+K"	61.952376
"782776"	670.024488	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+Na+K"	61.952376
"1678744"	243.992288	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na+K"	61.952376
"264898"	916.080168	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+ACN+Na"	64.015768
"1239798"	490.047968	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+ACN+Na"	64.015768
"1726493"	490.071493	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+NH4+HCOOH"	64.039293
"1193308"	164.999951333333	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+3Na"	68.967654
"1665145"	495.026888	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na+HCOOH"	68.994688
"167145"	928.98344	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2K-H"	76.91904
"604520"	1355.01564	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2K-H"	76.91904
"1091218"	502.95124	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2K-H"	76.91904
"151320"	464.995358	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2K"	77.926316
"586505"	678.011458	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2K"	77.926316
"1075391"	251.979258	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2K"	77.926316
"1105318"	504.965792	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2K+H"	78.933592
"1340610"	505.053407	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+DMSO+H"	79.021207
"1008772"	509.092576	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2ACN+H"	83.060376
"1527631"	510.086208	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+IsoProp+Na+H"	84.054008
"994806"	255.049926	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2ACN+2H"	84.067652
"1593683"	511.000828	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K+HCOOH"	84.968628
"1422627"	541.032338	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+CF3COOH"	115.000138
"1158384"	275.563201	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+3ACN+2H"	125.094202
"1702465"	558.058885	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+NH4+CF3COOH"	132.026685
"1642489"	563.01428	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na+CF3COOH"	136.98208
"1571824"	578.98822	"C17388"	"L-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K+CF3COOH"	152.95602
"809604"	241.9769	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M"	0
"986417"	222.95851	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-H2O-H"	-19.01839
"72475"	160.310657333333	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M-3H"	-3.021828
"508752"	240.969624	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M-3H"	-3.021828
"886554"	79.6516906666667	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-3H"	-3.021828
"4036"	240.969624	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M-2H"	-2.014552
"447974"	361.958074	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M-2H"	-2.014552
"826869"	119.981174	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-2H"	-2.014552
"93881"	482.946524	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M-H"	-1.007276
"534213"	724.923424	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M-H"	-1.007276
"910548"	240.969624	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-H"	-1.007276
"62806"	499.973071	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M-2H+NH4"	16.019271
"502054"	741.949971	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M-2H+NH4"	16.019271
"879126"	257.996171	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-2H+NH4"	16.019271
"46175"	504.928466	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M-2H+Na"	20.974666
"485979"	746.905366	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M-2H+Na"	20.974666
"862322"	262.951566	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-2H+Na"	20.974666
"1634121"	262.951566	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Na-2H"	20.974666
"109770"	258.957963	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M-H+Cl"	33.962126
"549044"	379.946413	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M-H+Cl"	33.962126
"939274"	137.969513	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-H+Cl"	33.962126
"276739"	518.923202	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+Cl"	34.969402
"665880"	760.900102	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+Cl"	34.969402
"1279374"	276.946302	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Cl"	34.969402
"23023"	520.902406	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M-2H+K"	36.948606
"463677"	762.879306	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M-2H+K"	36.948606
"839291"	278.925506	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-2H+K"	36.948606
"1561685"	278.925506	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+K-2H"	36.948606
"943127"	286.975094	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-H+HCOOH"	44.998194
"367792"	528.952001	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+HCOOH-H"	44.998201
"357145"	542.967651	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+Hac-H"	59.013851
"1506707"	300.990751	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Hac-H"	59.013851
"972062"	308.957051	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-H+NaCOOH"	66.980151
"125470"	276.946302	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+2Cl"	69.938804
"565043"	397.934752	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+2Cl"	69.938804
"1036273"	155.957852	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2Cl"	69.938804
"1256456"	320.895785	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Br"	78.918885
"1318661"	322.951772	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Cl+HCOOH"	80.974872
"1334942"	344.933729	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Cl+NaCOOH"	102.956829
"925022"	354.962486	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M-H+CF3COOH"	112.985586
"1303555"	390.939164	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Cl+CF3COOH"	148.962264
"1378433"	206.964224	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H-2H2O"	-35.012676
"1394472"	224.9742	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H-H2O"	-17.0027
"294525"	484.961076	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+H"	1.007276
"689498"	726.937976	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+H"	1.007276
"1364025"	242.984176	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H"	1.007276
"140925"	242.984176	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+2H"	2.014552
"581093"	363.972626	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+2H"	2.014552
"1051835"	121.995726	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2H"	2.014552
"217182"	162.325209333333	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+3H"	3.021828
"655282"	242.984176	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+3H"	3.021828
"1174141"	81.6662426666667	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+3H"	3.021828
"434498"	501.987623	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+NH4"	18.033823
"797684"	743.964523	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+NH4"	18.033823
"1692558"	260.010723	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+NH4"	18.033823
"343025"	251.4974495	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+H+NH4"	19.041099
"736543"	372.4858995	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+H+NH4"	19.041099
"1492477"	130.5089995	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H+NH4"	19.041099
"405764"	506.943018	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+Na"	22.989218
"768217"	748.919918	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+Na"	22.989218
"1614126"	264.966118	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Na"	22.989218
"326351"	253.975147	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+H+Na"	23.996494
"720959"	374.963597	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+H+Na"	23.996494
"1468218"	132.986697	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H+Na"	23.996494
"1060371"	88.9935566666667	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2H+Na"	25.00377
"1271892"	275.010386	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+CH3OH+H"	33.033486
"391560"	522.916958	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+K"	38.963158
"749274"	764.893858	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+K"	38.963158
"1550239"	280.940058	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+K"	38.963158
"307413"	261.962117	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+H+K"	39.970434
"702023"	382.950567	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+H+K"	39.970434
"1451468"	140.973667	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H+K"	39.970434
"249548"	525.987626	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+ACN+H"	42.033826
"1221530"	284.010726	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+ACN+H"	42.033826
"1206506"	142.509001	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+ACN+2H"	43.041102
"195002"	528.92496	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+2Na-H"	44.97116
"637846"	770.90186	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+2Na-H"	44.97116
"1142449"	286.94806	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2Na-H"	44.97116
"186105"	264.966118	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+2Na"	45.978436
"623117"	385.954568	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+2Na"	45.978436
"1123340"	143.977668	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2Na"	45.978436
"1401761"	96.3208706666667	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H+2Na"	46.985712
"1438980"	288.989646	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H+HCOOH"	47.012746
"229769"	269.99914	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+3H2O+2H"	56.04448
"1522570"	303.04169	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+IsoProp+H"	61.06479
"423593"	272.953088	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+Na+K"	61.952376
"783617"	393.941538	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+Na+K"	61.952376
"1680313"	151.964638	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Na+K"	61.952376
"265008"	547.969568	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+ACN+Na"	64.015768
"1241086"	305.992668	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+ACN+Na"	64.015768
"1726967"	306.016193	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+NH4+HCOOH"	64.039293
"1194024"	103.648184666667	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+3Na"	68.967654
"1664768"	310.971588	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Na+HCOOH"	68.994688
"170536"	560.87284	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+2K-H"	76.91904
"606816"	802.84974	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+2K-H"	76.91904
"1095702"	318.89594	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2K-H"	76.91904
"153616"	280.940058	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"2M+2K"	77.926316
"587708"	401.928508	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"3M+2K"	77.926316
"1071125"	159.951608	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2K"	77.926316
"1106520"	320.910492	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2K+H"	78.933592
"1345091"	320.998107	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+DMSO+H"	79.021207
"1011799"	325.037276	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2ACN+H"	83.060376
"1528834"	326.030908	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+IsoProp+Na+H"	84.054008
"996009"	163.022276	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+2ACN+2H"	84.067652
"1594886"	326.945528	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+K+HCOOH"	84.968628
"1423830"	356.977038	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+H+CF3COOH"	115.000138
"1160680"	183.535551	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+3ACN+2H"	125.094202
"1702575"	374.003585	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+NH4+CF3COOH"	132.026685
"1639319"	378.95898	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+Na+CF3COOH"	136.98208
"1571813"	394.93292	"C17389"	"Zinc lactate"	"C6H10O6Zn"	"241.9769"	"M+K+CF3COOH"	152.95602
"809715"	448.1369	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M"	0
"976687"	429.11851	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-H2O-H"	-19.01839
"66022"	297.750657333333	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M-3H"	-3.021828
"505581"	447.129624	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M-3H"	-3.021828
"880466"	148.371690666667	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-3H"	-3.021828
"12535"	447.129624	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M-2H"	-2.014552
"445897"	671.198074	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M-2H"	-2.014552
"830262"	223.061174	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-2H"	-2.014552
"91348"	895.266524	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M-H"	-1.007276
"532001"	1343.403424	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M-H"	-1.007276
"910778"	447.129624	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-H"	-1.007276
"61752"	912.293071	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M-2H+NH4"	16.019271
"496083"	1360.429971	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M-2H+NH4"	16.019271
"873885"	464.156171	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-2H+NH4"	16.019271
"41788"	917.248466	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M-2H+Na"	20.974666
"484268"	1365.385366	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M-2H+Na"	20.974666
"863163"	469.111566	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-2H+Na"	20.974666
"1630878"	469.111566	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Na-2H"	20.974666
"109514"	465.117963	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M-H+Cl"	33.962126
"548789"	689.186413	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M-H+Cl"	33.962126
"941695"	241.049513	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-H+Cl"	33.962126
"271383"	931.243202	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+Cl"	34.969402
"664898"	1379.380102	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+Cl"	34.969402
"1280580"	483.106302	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Cl"	34.969402
"29331"	933.222406	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M-2H+K"	36.948606
"465975"	1381.359306	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M-2H+K"	36.948606
"840495"	485.085506	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-2H+K"	36.948606
"1557423"	485.085506	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+K-2H"	36.948606
"948595"	493.135094	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-H+HCOOH"	44.998194
"367904"	941.272001	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+HCOOH-H"	44.998201
"356891"	955.287651	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+Hac-H"	59.013851
"1507670"	507.150751	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Hac-H"	59.013851
"973639"	515.117051	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-H+NaCOOH"	66.980151
"125026"	483.106302	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+2Cl"	69.938804
"565352"	707.174752	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+2Cl"	69.938804
"1036381"	259.037852	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2Cl"	69.938804
"1256933"	527.055785	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Br"	78.918885
"1319623"	529.111772	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Cl+HCOOH"	80.974872
"1335210"	551.093729	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Cl+NaCOOH"	102.956829
"924404"	561.122486	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M-H+CF3COOH"	112.985586
"1300748"	597.099164	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Cl+CF3COOH"	148.962264
"1382190"	413.124224	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H-2H2O"	-35.012676
"1396042"	431.1342	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H-H2O"	-17.0027
"294635"	897.281076	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+H"	1.007276
"689243"	1345.417976	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+H"	1.007276
"1364497"	449.144176	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H"	1.007276
"139939"	449.144176	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+2H"	2.014552
"579135"	673.212626	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+2H"	2.014552
"1049755"	225.075726	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2H"	2.014552
"218021"	299.765209333333	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+3H"	3.021828
"654304"	449.144176	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+3H"	3.021828
"1170244"	150.386242666667	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+3H"	3.021828
"432423"	914.307623	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+NH4"	18.033823
"795606"	1362.444523	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+NH4"	18.033823
"1690850"	466.170723	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+NH4"	18.033823
"340221"	457.6574495	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+H+NH4"	19.041099
"737383"	681.7258995	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+H+NH4"	19.041099
"1488649"	233.5889995	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H+NH4"	19.041099
"406238"	919.263018	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+Na"	22.989218
"765046"	1367.399918	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+Na"	22.989218
"1612050"	471.126118	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Na"	22.989218
"325366"	460.135147	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+H+Na"	23.996494
"720342"	684.203597	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+H+Na"	23.996494
"1472703"	236.066697	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H+Na"	23.996494
"1065949"	157.713556666667	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2H+Na"	25.00377
"1272368"	481.170386	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+CH3OH+H"	33.033486
"391549"	935.236958	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+K"	38.963158
"748292"	1383.373858	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+K"	38.963158
"1551443"	487.100058	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+K"	38.963158
"309713"	468.122117	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+H+K"	39.970434
"703956"	692.190567	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+H+K"	39.970434
"1454859"	244.053667	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H+K"	39.970434
"240180"	938.307626	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+ACN+H"	42.033826
"1211796"	490.170726	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+ACN+H"	42.033826
"1205523"	245.589001	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+ACN+2H"	43.041102
"196210"	941.24496	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+2Na-H"	44.97116
"633583"	1389.38186	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+2Na-H"	44.97116
"1141466"	493.10806	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2Na-H"	44.97116
"182570"	471.126118	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+2Na"	45.978436
"625413"	695.194568	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+2Na"	45.978436
"1121629"	247.057668	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2Na"	45.978436
"1406975"	165.040870666667	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H+2Na"	46.985712
"1439091"	495.149646	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H+HCOOH"	47.012746
"230973"	476.15914	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+3H2O+2H"	56.04448
"1522315"	509.20169	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+IsoProp+H"	61.06479
"424223"	479.113088	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+Na+K"	61.952376
"782996"	703.181538	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+Na+K"	61.952376
"1680950"	255.044638	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Na+K"	61.952376
"266217"	960.289568	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+ACN+Na"	64.015768
"1240020"	512.152668	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+ACN+Na"	64.015768
"1727450"	512.176193	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+NH4+HCOOH"	64.039293
"1193530"	172.368184666667	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+3Na"	68.967654
"1661600"	517.131588	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Na+HCOOH"	68.994688
"168460"	973.19284	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+2K-H"	76.91904
"608020"	1421.32974	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+2K-H"	76.91904
"1090348"	525.05594	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2K-H"	76.91904
"144975"	487.100058	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"2M+2K"	77.926316
"587817"	711.168508	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"3M+2K"	77.926316
"1074515"	263.031608	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2K"	77.926316
"1105538"	527.070492	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2K+H"	78.933592
"1340830"	527.158107	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+DMSO+H"	79.021207
"1014824"	531.197276	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2ACN+H"	83.060376
"1528577"	532.190908	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+IsoProp+Na+H"	84.054008
"996119"	266.102276	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+2ACN+2H"	84.067652
"1597184"	533.105528	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+K+HCOOH"	84.968628
"1421751"	563.137038	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+H+CF3COOH"	115.000138
"1159694"	286.615551	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+3ACN+2H"	125.094202
"1699402"	580.163585	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+NH4+CF3COOH"	132.026685
"1635180"	585.11898	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+Na+CF3COOH"	136.98208
"1579458"	601.09292	"C17391"	"Sakuranin;NSC 407308"	"C22H24O10"	"448.1369"	"M+K+CF3COOH"	152.95602
"814928"	71.9347	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M"	0
"976797"	52.91631	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-H2O-H"	-19.01839
"63143"	46.9491906666667	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M-3H"	-3.021828
"504964"	70.927424	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M-3H"	-3.021828
"880576"	22.9709573333333	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-3H"	-3.021828
"6448"	70.927424	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M-2H"	-2.014552
"441997"	106.894774	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M-2H"	-2.014552
"830982"	34.960074	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-2H"	-2.014552
"91948"	142.862124	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M-H"	-1.007276
"531018"	214.796824	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M-H"	-1.007276
"910970"	70.927424	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-H"	-1.007276
"61497"	159.888671	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M-2H+NH4"	16.019271
"500935"	231.823371	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M-2H+NH4"	16.019271
"873995"	87.953971	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-2H+NH4"	16.019271
"41898"	164.844066	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M-2H+Na"	20.974666
"479271"	236.778766	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M-2H+Na"	20.974666
"863274"	92.909366	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-2H+Na"	20.974666
"1627708"	92.909366	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Na-2H"	20.974666
"108609"	88.915763	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M-H+Cl"	33.962126
"540516"	124.883113	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M-H+Cl"	33.962126
"930750"	52.948413	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-H+Cl"	33.962126
"274775"	178.838802	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+Cl"	34.969402
"668289"	250.773502	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+Cl"	34.969402
"1275224"	106.904102	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Cl"	34.969402
"27621"	180.818006	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M-2H+K"	36.948606
"469365"	252.752706	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M-2H+K"	36.948606
"840605"	108.883306	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-2H+K"	36.948606
"1560816"	108.883306	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+K-2H"	36.948606
"947611"	116.932894	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-H+HCOOH"	44.998194
"372024"	188.867601	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+HCOOH-H"	44.998201
"357001"	202.883251	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+Hac-H"	59.013851
"1507177"	130.948551	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Hac-H"	59.013851
"972900"	138.914851	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-H+NaCOOH"	66.980151
"125338"	106.904102	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+2Cl"	69.938804
"565575"	142.871452	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+2Cl"	69.938804
"1036128"	70.936752	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2Cl"	69.938804
"1256065"	150.853585	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Br"	78.918885
"1318511"	152.909572	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Cl+HCOOH"	80.974872
"1334549"	174.891529	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Cl+NaCOOH"	102.956829
"922690"	184.920286	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M-H+CF3COOH"	112.985586
"1302317"	220.896964	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Cl+CF3COOH"	148.962264
"1374278"	36.922024	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H-2H2O"	-35.012676
"1393599"	54.932	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H-H2O"	-17.0027
"289276"	144.876676	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+H"	1.007276
"683884"	216.811376	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+H"	1.007276
"1359141"	72.941976	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H"	1.007276
"140051"	72.941976	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+2H"	2.014552
"580585"	108.909326	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+2H"	2.014552
"1048042"	36.974626	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2H"	2.014552
"217038"	48.9637426666667	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+3H"	3.021828
"647854"	72.941976	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+3H"	3.021828
"1170354"	24.9855093333333	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+3H"	3.021828
"429253"	161.903223	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+NH4"	18.033823
"796810"	233.837923	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+NH4"	18.033823
"1689866"	89.968523	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+NH4"	18.033823
"342153"	81.4552495	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+H+NH4"	19.041099
"738143"	117.4225995	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+H+NH4"	19.041099
"1488759"	45.4878995	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H+NH4"	19.041099
"407444"	166.858618	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+Na"	22.989218
"768315"	238.793318	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+Na"	22.989218
"1614347"	94.923918	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Na"	22.989218
"324383"	83.932947	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+H+Na"	23.996494
"721424"	119.900297	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+H+Na"	23.996494
"1473906"	47.965597	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H+Na"	23.996494
"1066789"	32.3128233333333	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2H+Na"	25.00377
"1271873"	104.968186	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+CH3OH+H"	33.033486
"391659"	182.832558	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+K"	38.963158
"746215"	254.767258	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+K"	38.963158
"1547177"	110.897858	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+K"	38.963158
"308729"	91.919917	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+H+K"	39.970434
"704066"	127.887267	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+H+K"	39.970434
"1454969"	55.952567	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H+K"	39.970434
"238102"	185.903226	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+ACN+H"	42.033826
"1212270"	113.968526	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+ACN+H"	42.033826
"1204540"	57.487901	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+ACN+2H"	43.041102
"198509"	188.84056	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+2Na-H"	44.97116
"639161"	260.77526	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+2Na-H"	44.97116
"1141577"	116.90586	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2Na-H"	44.97116
"182681"	94.923918	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+2Na"	45.978436
"623335"	130.891268	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+2Na"	45.978436
"1122103"	58.956568	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2Na"	45.978436
"1407085"	39.6401373333333	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H+2Na"	46.985712
"1439201"	118.947446	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H+HCOOH"	47.012746
"226709"	99.95694	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+3H2O+2H"	56.04448
"1515865"	132.99949	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+IsoProp+H"	61.06479
"421020"	102.910888	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+Na+K"	61.952376
"780559"	138.878238	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+Na+K"	61.952376
"1679805"	66.943538	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Na+K"	61.952376
"263046"	207.885168	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+ACN+Na"	64.015768
"1240858"	135.950468	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+ACN+Na"	64.015768
"1726465"	135.973993	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+NH4+HCOOH"	64.039293
"1190723"	46.9674513333333	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+3Na"	68.967654
"1658427"	140.929388	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Na+HCOOH"	68.994688
"167476"	220.78844	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+2K-H"	76.91904
"608130"	292.72314	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+2K-H"	76.91904
"1091550"	148.85374	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2K-H"	76.91904
"148365"	110.897858	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"2M+2K"	77.926316
"584646"	146.865208	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"3M+2K"	77.926316
"1073167"	74.930508	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2K"	77.926316
"1105648"	150.868292	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2K+H"	78.933592
"1344220"	150.955907	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+DMSO+H"	79.021207
"1014934"	154.995076	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2ACN+H"	83.060376
"1528687"	155.988708	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+IsoProp+Na+H"	84.054008
"997323"	78.001176	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+2ACN+2H"	84.067652
"1596201"	156.903328	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+K+HCOOH"	84.968628
"1424048"	186.934838	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+H+CF3COOH"	115.000138
"1159804"	98.514451	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+3ACN+2H"	125.094202
"1699513"	203.961385	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+NH4+CF3COOH"	132.026685
"1647198"	208.91678	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+Na+CF3COOH"	136.98208
"1582849"	224.89072	"C17392"	"Calcium sulfide"	"CaS"	"71.9347"	"M+K+CF3COOH"	152.95602
"806654"	624.2054	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M"	0
"977999"	605.18701	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-H2O-H"	-19.01839
"65511"	415.129657333333	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M-3H"	-3.021828
"505073"	623.198124	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M-3H"	-3.021828
"883603"	207.061190666667	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-3H"	-3.021828
"6558"	623.198124	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M-2H"	-2.014552
"442836"	935.300824	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M-2H"	-2.014552
"831576"	311.095424	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-2H"	-2.014552
"91449"	1247.403524	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M-H"	-1.007276
"528941"	1871.608924	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M-H"	-1.007276
"910394"	623.198124	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-H"	-1.007276
"61369"	1264.430071	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M-2H+NH4"	16.019271
"500436"	1888.635471	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M-2H+NH4"	16.019271
"873012"	640.224671	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-2H+NH4"	16.019271
"45534"	1269.385466	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M-2H+Na"	20.974666
"482662"	1893.590866	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M-2H+Na"	20.974666
"862652"	645.180066	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-2H+Na"	20.974666
"1625631"	645.180066	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Na-2H"	20.974666
"105439"	641.186463	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M-H+Cl"	33.962126
"537346"	953.289163	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M-H+Cl"	33.962126
"931952"	329.083763	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-H+Cl"	33.962126
"268445"	1283.380202	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+Cl"	34.969402
"665119"	1907.585602	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+Cl"	34.969402
"1275334"	659.174802	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Cl"	34.969402
"24449"	1285.359406	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M-2H+K"	36.948606
"467289"	1909.564806	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M-2H+K"	36.948606
"837435"	661.154006	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-2H+K"	36.948606
"1559833"	661.154006	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+K-2H"	36.948606
"946628"	669.203594	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-H+HCOOH"	44.998194
"372498"	1293.409001	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+HCOOH-H"	44.998201
"354194"	1307.424651	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+Hac-H"	59.013851
"1505946"	683.219251	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Hac-H"	59.013851
"972036"	691.185551	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-H+NaCOOH"	66.980151
"125447"	659.174802	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+2Cl"	69.938804
"564883"	971.277502	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+2Cl"	69.938804
"1036600"	347.072102	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2Cl"	69.938804
"1256545"	703.124285	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Br"	78.918885
"1318503"	705.180272	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Cl+HCOOH"	80.974872
"1334661"	727.162229	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Cl+NaCOOH"	102.956829
"922802"	737.190986	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M-H+CF3COOH"	112.985586
"1301696"	773.167664	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Cl+CF3COOH"	148.962264
"1374389"	589.192724	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H-2H2O"	-35.012676
"1394803"	607.2027	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H-H2O"	-17.0027
"296314"	1249.418076	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+H"	1.007276
"688979"	1873.623476	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+H"	1.007276
"1364355"	625.212676	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H"	1.007276
"138704"	625.212676	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+2H"	2.014552
"580088"	937.315376	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+2H"	2.014552
"1051072"	313.109976	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2H"	2.014552
"217146"	417.144209333333	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+3H"	3.021828
"647964"	625.212676	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+3H"	3.021828
"1171557"	209.075742666667	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+3H"	3.021828
"431550"	1266.444623	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+NH4"	18.033823
"795827"	1890.650023	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+NH4"	18.033823
"1693258"	642.239223	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+NH4"	18.033823
"342628"	633.7259495	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+H+NH4"	19.041099
"737484"	945.8286495	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+H+NH4"	19.041099
"1488869"	321.6232495	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H+NH4"	19.041099
"406458"	1271.400018	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+Na"	22.989218
"769528"	1895.605418	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+Na"	22.989218
"1616281"	647.194618	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Na"	22.989218
"324493"	636.203647	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+H+Na"	23.996494
"721534"	948.306347	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+H+Na"	23.996494
"1472922"	324.100947	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H+Na"	23.996494
"1067020"	216.403056666667	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2H+Na"	25.00377
"1267847"	657.238886	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+CH3OH+H"	33.033486
"388609"	1287.373958	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+K"	38.963158
"745231"	1911.579358	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+K"	38.963158
"1551661"	663.168558	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+K"	38.963158
"309568"	644.190617	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+H+K"	39.970434
"704176"	956.293317	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+H+K"	39.970434
"1455079"	332.087917	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H+K"	39.970434
"240400"	1290.444626	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+ACN+H"	42.033826
"1215296"	666.239226	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+ACN+H"	42.033826
"1206837"	333.623251	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+ACN+2H"	43.041102
"198617"	1293.38196	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+2Na-H"	44.97116
"638179"	1917.58736	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+2Na-H"	44.97116
"1142783"	669.17656	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2Na-H"	44.97116
"183521"	647.194618	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+2Na"	45.978436
"624175"	959.297318	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+2Na"	45.978436
"1119297"	335.091918	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2Na"	45.978436
"1407195"	223.730370666667	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H+2Na"	46.985712
"1440407"	671.218146	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H+HCOOH"	47.012746
"232288"	652.22764	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+3H2O+2H"	56.04448
"1515975"	685.27019	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+IsoProp+H"	61.06479
"422589"	655.181588	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+Na+K"	61.952376
"781763"	967.284288	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+Na+K"	61.952376
"1679551"	343.078888	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Na+K"	61.952376
"266073"	1312.426568	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+ACN+Na"	64.015768
"1240241"	688.221168	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+ACN+Na"	64.015768
"1726942"	688.244693	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+NH4+HCOOH"	64.039293
"1192901"	231.057684666667	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+3Na"	68.967654
"1664006"	693.200088	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Na+HCOOH"	68.994688
"167586"	1325.32984	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+2K-H"	76.91904
"607147"	1949.53524	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+2K-H"	76.91904
"1094940"	701.12444	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2K-H"	76.91904
"151756"	663.168558	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"2M+2K"	77.926316
"588037"	975.271258	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"3M+2K"	77.926316
"1075829"	351.065858	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2K"	77.926316
"1109040"	703.138992	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2K+H"	78.933592
"1341052"	703.226607	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+DMSO+H"	79.021207
"1013952"	707.265776	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2ACN+H"	83.060376
"1536451"	708.259408	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+IsoProp+Na+H"	84.054008
"997433"	354.136526	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+2ACN+2H"	84.067652
"1596310"	709.174028	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+K+HCOOH"	84.968628
"1421970"	739.205538	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+H+CF3COOH"	115.000138
"1155539"	374.649801	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+3ACN+2H"	125.094202
"1698529"	756.232085	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+NH4+CF3COOH"	132.026685
"1641841"	761.18748	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+Na+CF3COOH"	136.98208
"1582959"	777.16142	"C17393"	"Methyl hesperidin"	"C29H36O15"	"624.2054"	"M+K+CF3COOH"	152.95602
"806764"	440.3654	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M"	0
"981389"	421.34701	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-H2O-H"	-19.01839
"70723"	292.569657333333	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M-3H"	-3.021828
"509191"	439.358124	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M-3H"	-3.021828
"886992"	145.781190666667	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-3H"	-3.021828
"9947"	439.358124	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M-2H"	-2.014552
"445133"	659.540824	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M-2H"	-2.014552
"831686"	219.175424	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-2H"	-2.014552
"92410"	879.723524	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M-H"	-1.007276
"534034"	1320.088924	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M-H"	-1.007276
"911325"	439.358124	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-H"	-1.007276
"62089"	896.750071	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M-2H+NH4"	16.019271
"501518"	1337.115471	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M-2H+NH4"	16.019271
"875308"	456.384671	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-2H+NH4"	16.019271
"46904"	901.705466	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M-2H+Na"	20.974666
"486782"	1342.070866	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M-2H+Na"	20.974666
"860575"	461.340066	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-2H+Na"	20.974666
"1626834"	461.340066	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Na-2H"	20.974666
"108465"	457.346463	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M-H+Cl"	33.962126
"538549"	677.529163	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M-H+Cl"	33.962126
"936436"	237.163763	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-H+Cl"	33.962126
"268434"	915.700202	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+Cl"	34.969402
"665229"	1356.065602	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+Cl"	34.969402
"1273740"	475.334802	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Cl"	34.969402
"26746"	917.679406	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M-2H+K"	36.948606
"465212"	1358.044806	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M-2H+K"	36.948606
"836452"	477.314006	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-2H+K"	36.948606
"1557757"	477.314006	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+K-2H"	36.948606
"948924"	485.363594	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-H+HCOOH"	44.998194
"372608"	925.729001	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+HCOOH-H"	44.998201
"354304"	939.744651	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+Hac-H"	59.013851
"1506056"	499.379251	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Hac-H"	59.013851
"971783"	507.345551	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-H+NaCOOH"	66.980151
"124336"	475.334802	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+2Cl"	69.938804
"565360"	695.517502	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+2Cl"	69.938804
"1036591"	255.152102	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2Cl"	69.938804
"1256613"	519.284285	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Br"	78.918885
"1319465"	521.340272	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Cl+HCOOH"	80.974872
"1334811"	543.322229	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Cl+NaCOOH"	102.956829
"921451"	553.350986	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M-H+CF3COOH"	112.985586
"1303263"	589.327664	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Cl+CF3COOH"	148.962264
"1377780"	405.352724	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H-2H2O"	-35.012676
"1396372"	423.3627	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H-H2O"	-17.0027
"294966"	881.738076	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+H"	1.007276
"689938"	1322.103476	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+H"	1.007276
"1365194"	441.372676	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H"	1.007276
"138814"	441.372676	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+2H"	2.014552
"580925"	661.555376	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+2H"	2.014552
"1051909"	221.189976	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2H"	2.014552
"216164"	294.584209333333	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+3H"	3.021828
"649166"	441.372676	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+3H"	3.021828
"1170574"	147.795742666667	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+3H"	3.021828
"431660"	898.764623	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+NH4"	18.033823
"791563"	1339.130023	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+NH4"	18.033823
"1696855"	458.399223	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+NH4"	18.033823
"344196"	449.8859495	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+H+NH4"	19.041099
"738200"	670.0686495	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+H+NH4"	19.041099
"1488979"	229.7032495	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H+NH4"	19.041099
"407294"	903.720018	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+Na"	22.989218
"769591"	1344.085418	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+Na"	22.989218
"1615660"	463.354618	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Na"	22.989218
"324603"	452.363647	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+H+Na"	23.996494
"718118"	672.546347	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+H+Na"	23.996494
"1471939"	232.180947	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H+Na"	23.996494
"1065185"	155.123056666667	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2H+Na"	25.00377
"1266864"	473.398886	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+CH3OH+H"	33.033486
"385439"	919.693958	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+K"	38.963158
"743153"	1360.059358	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+K"	38.963158
"1553958"	479.328558	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+K"	38.963158
"310042"	460.350617	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+H+K"	39.970434
"703556"	680.533317	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+H+K"	39.970434
"1456283"	240.167917	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H+K"	39.970434
"240510"	922.764626	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+ACN+H"	42.033826
"1215406"	482.399226	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+ACN+H"	42.033826
"1202572"	241.703251	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+ACN+2H"	43.041102
"193259"	925.70196	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+2Na-H"	44.97116
"640473"	1366.06736	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+2Na-H"	44.97116
"1142525"	485.33656	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2Na-H"	44.97116
"180713"	463.354618	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+2Na"	45.978436
"620638"	683.537318	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+2Na"	45.978436
"1128155"	243.171918	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2Na"	45.978436
"1409127"	162.450370666667	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H+2Na"	46.985712
"1441971"	487.378146	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H+HCOOH"	47.012746
"231303"	468.38764	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+3H2O+2H"	56.04448
"1523013"	501.43019	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+IsoProp+H"	61.06479
"423305"	471.341588	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+Na+K"	61.952376
"784667"	691.524288	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+Na+K"	61.952376
"1680753"	251.158888	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Na+K"	61.952376
"266631"	944.746568	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+ACN+Na"	64.015768
"1241287"	504.381168	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+ACN+Na"	64.015768
"1727903"	504.404693	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+NH4+HCOOH"	64.039293
"1193011"	169.777684666667	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+3Na"	68.967654
"1663752"	509.360088	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Na+HCOOH"	68.994688
"165509"	957.64984	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+2K-H"	76.91904
"608350"	1398.01524	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+2K-H"	76.91904
"1095050"	517.28444	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2K-H"	76.91904
"151866"	479.328558	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"2M+2K"	77.926316
"587053"	699.511258	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"3M+2K"	77.926316
"1073752"	259.145858	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2K"	77.926316
"1110243"	519.298992	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2K+H"	78.933592
"1343348"	519.386607	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+DMSO+H"	79.021207
"1014061"	523.425776	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2ACN+H"	83.060376
"1534374"	524.419408	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+IsoProp+Na+H"	84.054008
"995355"	262.216526	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+2ACN+2H"	84.067652
"1597512"	525.334028	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+K+HCOOH"	84.968628
"1422080"	555.365538	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+H+CF3COOH"	115.000138
"1153463"	282.729801	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+3ACN+2H"	125.094202
"1697910"	572.392085	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+NH4+CF3COOH"	132.026685
"1639764"	577.34748	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+Na+CF3COOH"	136.98208
"1583069"	593.32142	"C17394"	"Karounidiol"	"C30H48O2"	"440.3654"	"M+K+CF3COOH"	152.95602
"806874"	372.1645	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M"	0
"981499"	353.14611	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-H2O-H"	-19.01839
"67554"	247.102390666667	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M-3H"	-3.021828
"504929"	371.157224	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M-3H"	-3.021828
"882730"	123.047557333333	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-3H"	-3.021828
"7871"	371.157224	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M-2H"	-2.014552
"445243"	557.239474	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M-2H"	-2.014552
"828516"	185.074974	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-2H"	-2.014552
"92883"	743.321724	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M-H"	-1.007276
"534024"	1115.486224	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M-H"	-1.007276
"911340"	371.157224	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-H"	-1.007276
"62517"	760.348271	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M-2H+NH4"	16.019271
"499804"	1132.512771	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M-2H+NH4"	16.019271
"872138"	388.183771	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-2H+NH4"	16.019271
"46238"	765.303666	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M-2H+Na"	20.974666
"479600"	1137.468166	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M-2H+Na"	20.974666
"857404"	393.139166	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-2H+Na"	20.974666
"1632775"	393.139166	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Na-2H"	20.974666
"107844"	389.145563	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M-H+Cl"	33.962126
"544126"	575.227813	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M-H+Cl"	33.962126
"936546"	203.063313	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-H+Cl"	33.962126
"271824"	779.298402	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+Cl"	34.969402
"665339"	1151.462902	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+Cl"	34.969402
"1277741"	407.133902	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Cl"	34.969402
"24669"	781.277606	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M-2H+K"	36.948606
"465322"	1153.442106	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M-2H+K"	36.948606
"836562"	409.113106	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-2H+K"	36.948606
"1560054"	409.113106	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+K-2H"	36.948606
"953409"	417.162694	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-H+HCOOH"	44.998194
"376882"	789.327201	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+HCOOH-H"	44.998201
"354414"	803.342851	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+Hac-H"	59.013851
"1506530"	431.178351	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Hac-H"	59.013851
"971893"	439.144651	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-H+NaCOOH"	66.980151
"125590"	407.133902	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+2Cl"	69.938804
"565103"	593.216152	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+2Cl"	69.938804
"1036906"	221.051652	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2Cl"	69.938804
"1256850"	451.083385	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Br"	78.918885
"1317018"	453.139372	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Cl+HCOOH"	80.974872
"1333421"	475.121329	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Cl+NaCOOH"	102.956829
"920468"	485.150086	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M-H+CF3COOH"	112.985586
"1301916"	521.126764	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Cl+CF3COOH"	148.962264
"1379713"	337.151824	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H-2H2O"	-35.012676
"1395753"	355.1618	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H-H2O"	-17.0027
"295441"	745.336276	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+H"	1.007276
"688955"	1117.500776	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+H"	1.007276
"1363117"	373.171776	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H"	1.007276
"138559"	373.171776	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+2H"	2.014552
"580914"	559.254026	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+2H"	2.014552
"1049831"	187.089526	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2H"	2.014552
"214086"	249.116942666667	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+3H"	3.021828
"649277"	373.171776	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+3H"	3.021828
"1170684"	125.062109333333	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+3H"	3.021828
"427395"	762.362823	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+NH4"	18.033823
"796046"	1134.527323	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+NH4"	18.033823
"1682536"	390.198323	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+NH4"	18.033823
"344671"	381.6850495	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+H+NH4"	19.041099
"737457"	567.7672995	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+H+NH4"	19.041099
"1490912"	195.6027995	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H+NH4"	19.041099
"407649"	767.318218	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+Na"	22.989218
"767673"	1139.482718	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+Na"	22.989218
"1614677"	395.153718	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Na"	22.989218
"324713"	384.162747	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+H+Na"	23.996494
"712761"	570.244997	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+H+Na"	23.996494
"1465122"	198.080497	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H+Na"	23.996494
"1060920"	132.389423333333	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2H+Na"	25.00377
"1266973"	405.197986	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+CH3OH+H"	33.033486
"383360"	783.292158	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+K"	38.963158
"741804"	1155.456658	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+K"	38.963158
"1542766"	411.127658	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+K"	38.963158
"301765"	392.149717	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+H+K"	39.970434
"698197"	578.231967	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+H+K"	39.970434
"1457121"	206.067467	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H+K"	39.970434
"242806"	786.362826	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+ACN+H"	42.033826
"1213329"	414.198326	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+ACN+H"	42.033826
"1202682"	207.602801	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+ACN+2H"	43.041102
"193369"	789.30016	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+2Na-H"	44.97116
"637303"	1161.46466	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+2Na-H"	44.97116
"1141176"	417.13566	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2Na-H"	44.97116
"182281"	395.153718	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+2Na"	45.978436
"620019"	581.235968	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+2Na"	45.978436
"1127899"	209.071468	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2Na"	45.978436
"1411423"	139.716737333333	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H+2Na"	46.985712
"1439165"	419.177246	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H+HCOOH"	47.012746
"229225"	400.18674	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+3H2O+2H"	56.04448
"1522389"	433.22929	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+IsoProp+H"	61.06479
"421714"	403.140688	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+Na+K"	61.952376
"782345"	589.222938	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+Na+K"	61.952376
"1678676"	217.058438	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Na+K"	61.952376
"263376"	808.344768	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+ACN+Na"	64.015768
"1241234"	436.180268	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+ACN+Na"	64.015768
"1728094"	436.203793	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+NH4+HCOOH"	64.039293
"1192876"	147.044051333333	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+3Na"	68.967654
"1663861"	441.159188	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Na+HCOOH"	68.994688
"162339"	821.24804	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+2K-H"	76.91904
"606273"	1193.41254	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+2K-H"	76.91904
"1095160"	449.08354	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2K-H"	76.91904
"148696"	411.127658	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"2M+2K"	77.926316
"584975"	597.209908	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"3M+2K"	77.926316
"1073862"	225.045408	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2K"	77.926316
"1108166"	451.098092	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2K+H"	78.933592
"1342365"	451.185707	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+DMSO+H"	79.021207
"1013078"	455.224876	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2ACN+H"	83.060376
"1532297"	456.218508	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+IsoProp+Na+H"	84.054008
"996558"	228.116076	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+2ACN+2H"	84.067652
"1594342"	457.133128	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+K+HCOOH"	84.968628
"1422191"	487.164638	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+H+CF3COOH"	115.000138
"1153573"	248.629351	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+3ACN+2H"	125.094202
"1697290"	504.191185	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+NH4+CF3COOH"	132.026685
"1638781"	509.14658	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+Na+CF3COOH"	136.98208
"1583179"	525.12052	"C17395"	"Clavamycin F"	"C15H24N4O7"	"372.1645"	"M+K+CF3COOH"	152.95602
"806984"	312.078	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M"	0
"980516"	293.05961	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-H2O-H"	-19.01839
"68756"	207.044724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M-3H"	-3.021828
"506494"	311.070724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M-3H"	-3.021828
"882840"	103.018724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-3H"	-3.021828
"7981"	311.070724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M-2H"	-2.014552
"445353"	467.109724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M-2H"	-2.014552
"825345"	155.031724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-2H"	-2.014552
"90805"	623.148724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M-H"	-1.007276
"533484"	935.226724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M-H"	-1.007276
"910681"	311.070724	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-H"	-1.007276
"61086"	640.175271	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M-2H+NH4"	16.019271
"501981"	952.253271	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M-2H+NH4"	16.019271
"877966"	328.097271	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-2H+NH4"	16.019271
"45621"	645.130666	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M-2H+Na"	20.974666
"486154"	957.208666	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M-2H+Na"	20.974666
"862502"	333.052666	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-2H+Na"	20.974666
"1631064"	333.052666	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Na-2H"	20.974666
"106861"	329.059063	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M-H+Cl"	33.962126
"543143"	485.098063	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M-H+Cl"	33.962126
"937751"	173.020063	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-H+Cl"	33.962126
"275214"	659.125402	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+Cl"	34.969402
"665450"	971.203402	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+Cl"	34.969402
"1278946"	347.047402	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Cl"	34.969402
"26967"	661.104606	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M-2H+K"	36.948606
"466529"	973.182606	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M-2H+K"	36.948606
"845423"	349.026606	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-2H+K"	36.948606
"1563445"	349.026606	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+K-2H"	36.948606
"953519"	357.076194	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-H+HCOOH"	44.998194
"375990"	669.154201	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+HCOOH-H"	44.998201
"351244"	683.169851	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+Hac-H"	59.013851
"1507374"	371.091851	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Hac-H"	59.013851
"972003"	379.058151	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-H+NaCOOH"	66.980151
"125614"	347.047402	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+2Cl"	69.938804
"565458"	503.086402	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+2Cl"	69.938804
"1035594"	191.008402	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2Cl"	69.938804
"1255782"	390.996885	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Br"	78.918885
"1318588"	393.052872	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Cl+HCOOH"	80.974872
"1333899"	415.034829	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Cl+NaCOOH"	102.956829
"925320"	425.063586	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M-H+CF3COOH"	112.985586
"1302028"	461.040264	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Cl+CF3COOH"	148.962264
"1376907"	277.065324	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H-2H2O"	-35.012676
"1393676"	295.0753	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H-H2O"	-17.0027
"291542"	625.163276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+H"	1.007276
"685056"	937.241276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+H"	1.007276
"1362498"	313.085276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H"	1.007276
"140371"	313.085276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+2H"	2.014552
"580175"	469.124276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+2H"	2.014552
"1048849"	157.046276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2H"	2.014552
"213103"	209.059276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+3H"	3.021828
"649387"	313.085276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+3H"	3.021828
"1170794"	105.033276	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+3H"	3.021828
"426412"	642.189823	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+NH4"	18.033823
"793969"	954.267823	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+NH4"	18.033823
"1682646"	330.111823	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+NH4"	18.033823
"334206"	321.5985495	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+H+NH4"	19.041099
"727721"	477.6375495	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+H+NH4"	19.041099
"1482635"	165.5595495	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H+NH4"	19.041099
"398036"	647.145218	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+Na"	22.989218
"763407"	959.223218	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+Na"	22.989218
"1612599"	335.067218	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Na"	22.989218
"316803"	324.076247	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+H+Na"	23.996494
"708373"	480.115247	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+H+Na"	23.996494
"1465231"	168.037247	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H+Na"	23.996494
"1055929"	112.36059	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2H+Na"	25.00377
"1263804"	345.111486	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+CH3OH+H"	33.033486
"379462"	663.119158	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+K"	38.963158
"740457"	975.197158	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+K"	38.963158
"1546522"	351.041158	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+K"	38.963158
"300781"	332.063217	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+H+K"	39.970434
"697214"	488.102217	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+H+K"	39.970434
"1456503"	176.024217	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H+K"	39.970434
"241823"	666.189826	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+ACN+H"	42.033826
"1215626"	354.111826	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+ACN+H"	42.033826
"1199512"	177.559551	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+ACN+2H"	43.041102
"190318"	669.12716	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+2Na-H"	44.97116
"629879"	981.20516	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+2Na-H"	44.97116
"1138735"	357.04916	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2Na-H"	44.97116
"182391"	335.067218	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+2Na"	45.978436
"620128"	491.106218	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+2Na"	45.978436
"1127279"	179.028218	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2Na"	45.978436
"1411170"	119.687904	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H+2Na"	46.985712
"1443285"	359.090746	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H+HCOOH"	47.012746
"230429"	340.10024	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+3H2O+2H"	56.04448
"1521774"	373.14279	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+IsoProp+H"	61.06479
"419271"	343.054188	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+Na+K"	61.952376
"780266"	499.093188	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+Na+K"	61.952376
"1677326"	187.015188	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Na+K"	61.952376
"260930"	688.171768	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+ACN+Na"	64.015768
"1238381"	376.093768	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+ACN+Na"	64.015768
"1725079"	376.117293	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+NH4+HCOOH"	64.039293
"1189705"	127.015218	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+3Na"	68.967654
"1654492"	381.072688	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Na+HCOOH"	68.994688
"158073"	701.07504	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+2K-H"	76.91904
"599089"	1013.15304	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+2K-H"	76.91904
"1087247"	388.99704	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2K-H"	76.91904
"147708"	351.041158	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"2M+2K"	77.926316
"581476"	507.080158	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"3M+2K"	77.926316
"1071053"	195.002158	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2K"	77.926316
"1103900"	391.011592	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2K+H"	78.933592
"1341377"	391.099207	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+DMSO+H"	79.021207
"1013188"	395.138376	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2ACN+H"	83.060376
"1528032"	396.132008	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+IsoProp+Na+H"	84.054008
"993387"	198.072826	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+2ACN+2H"	84.067652
"1592264"	397.046628	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+K+HCOOH"	84.968628
"1419017"	427.078138	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+H+CF3COOH"	115.000138
"1152589"	218.586101	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+3ACN+2H"	125.094202
"1697071"	444.104685	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+NH4+CF3COOH"	132.026685
"1638891"	449.06008	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+Na+CF3COOH"	136.98208
"1583289"	465.03402	"C17396"	"Epithienamycin B"	"C13H16N2O5S"	"312.078"	"M+K+CF3COOH"	152.95602
"810374"	314.0936	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M"	0
"980626"	295.07521	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-H2O-H"	-19.01839
"69961"	208.388457333333	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M-3H"	-3.021828
"511708"	313.086324	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M-3H"	-3.021828
"885138"	103.690590666667	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-3H"	-3.021828
"12465"	313.086324	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M-2H"	-2.014552
"446557"	470.133124	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M-2H"	-2.014552
"825455"	156.039524	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-2H"	-2.014552
"90188"	627.179924	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M-H"	-1.007276
"531935"	941.273524	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M-H"	-1.007276
"903902"	313.086324	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-H"	-1.007276
"58646"	644.206471	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M-2H+NH4"	16.019271
"500391"	958.300071	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M-2H+NH4"	16.019271
"876734"	330.112871	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-2H+NH4"	16.019271
"42818"	649.161866	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M-2H+Na"	20.974666
"484565"	963.255466	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M-2H+Na"	20.974666
"862003"	335.068266	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-2H+Na"	20.974666
"1629348"	335.068266	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Na-2H"	20.974666
"99318"	331.074663	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M-H+Cl"	33.962126
"538879"	488.121463	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M-H+Cl"	33.962126
"931300"	174.027863	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-H+Cl"	33.962126
"269857"	663.156602	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+Cl"	34.969402
"666652"	977.250202	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+Cl"	34.969402
"1281242"	349.063002	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Cl"	34.969402
"23797"	665.135806	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M-2H+K"	36.948606
"464450"	979.229406	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M-2H+K"	36.948606
"842251"	351.042206	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-2H+K"	36.948606
"1563554"	351.042206	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+K-2H"	36.948606
"948157"	359.091794	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-H+HCOOH"	44.998194
"366376"	673.185401	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+HCOOH-H"	44.998201
"353540"	687.201051	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+Hac-H"	59.013851
"1503469"	373.107451	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Hac-H"	59.013851
"969916"	381.073751	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-H+NaCOOH"	66.980151
"125594"	349.063002	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+2Cl"	69.938804
"565448"	506.109802	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+2Cl"	69.938804
"1036070"	192.016202	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2Cl"	69.938804
"1256252"	393.012485	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Br"	78.918885
"1319428"	395.068472	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Cl+HCOOH"	80.974872
"1333278"	417.050429	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Cl+NaCOOH"	102.956829
"926159"	427.079186	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M-H+CF3COOH"	112.985586
"1303921"	463.055864	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Cl+CF3COOH"	148.962264
"1375925"	279.080924	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H-2H2O"	-35.012676
"1392327"	297.0909	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H-H2O"	-17.0027
"293839"	629.194476	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+H"	1.007276
"686260"	943.288076	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+H"	1.007276
"1364431"	315.100876	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H"	1.007276
"140360"	315.100876	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+2H"	2.014552
"579799"	472.147676	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+2H"	2.014552
"1049686"	158.054076	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2H"	2.014552
"214306"	210.403009333333	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+3H"	3.021828
"651684"	315.100876	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+3H"	3.021828
"1174551"	105.705142666667	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+3H"	3.021828
"429803"	646.221023	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+NH4"	18.033823
"795173"	960.314623	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+NH4"	18.033823
"1681864"	332.127423	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+NH4"	18.033823
"331036"	323.6141495	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+H+NH4"	19.041099
"727831"	480.6609495	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+H+NH4"	19.041099
"1489305"	166.5673495	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H+NH4"	19.041099
"402519"	651.176418	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+Na"	22.989218
"763518"	965.270018	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+Na"	22.989218
"1610523"	337.082818	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Na"	22.989218
"319467"	326.091847	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+H+Na"	23.996494
"710793"	483.138647	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+H+Na"	23.996494
"1463521"	169.045047	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H+Na"	23.996494
"1057133"	113.032456666667	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2H+Na"	25.00377
"1262821"	347.127086	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+CH3OH+H"	33.033486
"389051"	667.150358	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+K"	38.963158
"741298"	981.243958	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+K"	38.963158
"1545539"	353.056758	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+K"	38.963158
"308183"	334.078817	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+H+K"	39.970434
"699512"	491.125617	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+H+K"	39.970434
"1456613"	177.032017	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H+K"	39.970434
"241933"	670.221026	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+ACN+H"	42.033826
"1214642"	356.127426	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+ACN+H"	42.033826
"1197434"	178.567351	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+ACN+2H"	43.041102
"193589"	673.15836	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+2Na-H"	44.97116
"632055"	987.25196	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+2Na-H"	44.97116
"1138117"	359.06476	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2Na-H"	44.97116
"181042"	337.082818	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+2Na"	45.978436
"626071"	494.129618	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+2Na"	45.978436
"1129213"	180.036018	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2Na"	45.978436
"1410915"	120.359770666667	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H+2Na"	46.985712
"1443759"	361.106346	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H+HCOOH"	47.012746
"233819"	342.11584	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+3H2O+2H"	56.04448
"1522491"	375.15839	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+IsoProp+H"	61.06479
"417194"	345.069788	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+Na+K"	61.952376
"780741"	502.116588	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+Na+K"	61.952376
"1676707"	188.022988	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Na+K"	61.952376
"261040"	692.202968	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+ACN+Na"	64.015768
"1237031"	378.109368	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+ACN+Na"	64.015768
"1724095"	378.132893	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+NH4+HCOOH"	64.039293
"1189086"	127.687084666667	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+3Na"	68.967654
"1656790"	383.088288	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Na+HCOOH"	68.994688
"162560"	705.10624	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+2K-H"	76.91904
"601025"	1019.19984	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+2K-H"	76.91904
"1088817"	391.01264	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2K-H"	76.91904
"148913"	353.056758	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"2M+2K"	77.926316
"584100"	510.103558	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"3M+2K"	77.926316
"1072987"	196.009958	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2K"	77.926316
"1102917"	393.027192	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2K+H"	78.933592
"1343675"	393.114807	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+DMSO+H"	79.021207
"1010018"	397.153976	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2ACN+H"	83.060376
"1530330"	398.147608	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+IsoProp+Na+H"	84.054008
"997871"	199.080626	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+2ACN+2H"	84.067652
"1591281"	399.062228	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+K+HCOOH"	84.968628
"1422409"	429.093738	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+H+CF3COOH"	115.000138
"1151606"	219.593901	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+3ACN+2H"	125.094202
"1700061"	446.120285	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+NH4+CF3COOH"	132.026685
"1639001"	451.07568	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+Na+CF3COOH"	136.98208
"1580119"	467.04962	"C17397"	"Epithienamycin C"	"C13H18N2O5S"	"314.0936"	"M+K+CF3COOH"	152.95602
"810484"	312.078	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M"	0
"984016"	293.05961	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-H2O-H"	-19.01839
"67884"	207.044724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M-3H"	-3.021828
"511818"	311.070724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M-3H"	-3.021828
"887432"	103.018724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-3H"	-3.021828
"11478"	311.070724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M-2H"	-2.014552
"452130"	467.109724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M-2H"	-2.014552
"827748"	155.031724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-2H"	-2.014552
"92118"	623.148724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M-H"	-1.007276
"526210"	935.226724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M-H"	-1.007276
"901824"	311.070724	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-H"	-1.007276
"57293"	640.175271	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M-2H+NH4"	16.019271
"496852"	952.253271	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M-2H+NH4"	16.019271
"872467"	328.097271	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-2H+NH4"	16.019271
"45114"	645.130666	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M-2H+Na"	20.974666
"485768"	957.208666	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M-2H+Na"	20.974666
"862842"	333.052666	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-2H+Na"	20.974666
"1631648"	333.052666	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Na-2H"	20.974666
"101616"	329.059063	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M-H+Cl"	33.962126
"538989"	485.098063	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M-H+Cl"	33.962126
"933596"	173.020063	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-H+Cl"	33.962126
"273246"	659.125402	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+Cl"	34.969402
"667855"	971.203402	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+Cl"	34.969402
"1281352"	347.047402	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Cl"	34.969402
"26093"	661.104606	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M-2H+K"	36.948606
"464560"	973.182606	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M-2H+K"	36.948606
"842361"	349.026606	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-2H+K"	36.948606
"1564757"	349.026606	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+K-2H"	36.948606
"947174"	357.076194	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-H+HCOOH"	44.998194
"367579"	669.154201	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+HCOOH-H"	44.998201
"354743"	683.169851	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+Hac-H"	59.013851
"1505765"	371.091851	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Hac-H"	59.013851
"972212"	379.058151	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-H+NaCOOH"	66.980151
"123931"	347.047402	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+2Cl"	69.938804
"564222"	503.086402	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+2Cl"	69.938804
"1036180"	191.008402	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2Cl"	69.938804
"1255151"	390.996885	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Br"	78.918885
"1318447"	393.052872	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Cl+HCOOH"	80.974872
"1333999"	415.034829	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Cl+NaCOOH"	102.956829
"925180"	425.063586	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M-H+CF3COOH"	112.985586
"1303225"	461.040264	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Cl+CF3COOH"	148.962264
"1379680"	277.065324	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H-2H2O"	-35.012676
"1394259"	295.0753	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H-H2O"	-17.0027
"295041"	625.163276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+H"	1.007276
"687461"	937.241276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+H"	1.007276
"1364175"	313.085276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H"	1.007276
"138888"	313.085276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+2H"	2.014552
"579541"	469.124276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+2H"	2.014552
"1048337"	157.046276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2H"	2.014552
"213688"	209.059276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+3H"	3.021828
"657260"	313.085276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+3H"	3.021828
"1171013"	105.033276	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+3H"	3.021828
"429910"	642.189823	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+NH4"	18.033823
"789814"	954.267823	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+NH4"	18.033823
"1682866"	330.111823	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+NH4"	18.033823
"331388"	321.5985495	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+H+NH4"	19.041099
"727941"	477.6375495	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+H+NH4"	19.041099
"1490144"	165.5595495	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H+NH4"	19.041099
"402629"	647.145218	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+Na"	22.989218
"764720"	959.223218	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+Na"	22.989218
"1611726"	335.067218	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Na"	22.989218
"322856"	324.076247	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+H+Na"	23.996494
"711267"	480.115247	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+H+Na"	23.996494
"1469098"	168.037247	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H+Na"	23.996494
"1061253"	112.36059	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2H+Na"	25.00377
"1264025"	345.111486	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+CH3OH+H"	33.033486
"388068"	663.119158	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+K"	38.963158
"742501"	975.197158	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+K"	38.963158
"1545649"	351.041158	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+K"	38.963158
"308293"	332.063217	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+H+K"	39.970434
"700715"	488.102217	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+H+K"	39.970434
"1454537"	176.024217	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H+K"	39.970434
"242043"	666.189826	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+ACN+H"	42.033826
"1215845"	354.111826	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+ACN+H"	42.033826
"1194867"	177.559551	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+ACN+2H"	43.041102
"193699"	669.12716	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+2Na-H"	44.97116
"634352"	981.20516	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+2Na-H"	44.97116
"1138227"	357.04916	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2Na-H"	44.97116
"179329"	335.067218	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+2Na"	45.978436
"621807"	491.106218	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+2Na"	45.978436
"1125314"	179.028218	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2Na"	45.978436
"1409930"	119.687904	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H+2Na"	46.985712
"1443140"	359.090746	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H+HCOOH"	47.012746
"230649"	340.10024	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+3H2O+2H"	56.04448
"1517618"	373.14279	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+IsoProp+H"	61.06479
"416211"	343.054188	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+Na+K"	61.952376
"779393"	499.093188	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+Na+K"	61.952376
"1672443"	187.015188	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Na+K"	61.952376
"258962"	688.171768	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+ACN+Na"	64.015768
"1236046"	376.093768	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+ACN+Na"	64.015768
"1723840"	376.117293	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+NH4+HCOOH"	64.039293
"1187008"	127.015218	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+3Na"	68.967654
"1655806"	381.072688	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Na+HCOOH"	68.994688
"163763"	701.07504	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+2K-H"	76.91904
"601134"	1013.15304	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+2K-H"	76.91904
"1090020"	388.99704	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2K-H"	76.91904
"149023"	351.041158	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"2M+2K"	77.926316
"583846"	507.080158	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"3M+2K"	77.926316
"1073097"	195.002158	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2K"	77.926316
"1103027"	391.011592	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2K+H"	78.933592
"1342691"	391.099207	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+DMSO+H"	79.021207
"1012315"	395.138376	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2ACN+H"	83.060376
"1533721"	396.132008	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+IsoProp+Na+H"	84.054008
"993607"	198.072826	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+2ACN+2H"	84.067652
"1591392"	397.046628	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+K+HCOOH"	84.968628
"1417050"	427.078138	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+H+CF3COOH"	115.000138
"1151716"	218.586101	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+3ACN+2H"	125.094202
"1698106"	444.104685	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+NH4+CF3COOH"	132.026685
"1639111"	449.06008	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+Na+CF3COOH"	136.98208
"1580229"	465.03402	"C17398"	"Epithienamycin D"	"C13H16N2O5S"	"312.078"	"M+K+CF3COOH"	152.95602
"810594"	394.0505	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M"	0
"980846"	375.03211	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-H2O-H"	-19.01839
"67994"	261.693057333333	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M-3H"	-3.021828
"513022"	393.043224	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M-3H"	-3.021828
"893009"	130.342890666667	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-3H"	-3.021828
"9400"	393.043224	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M-2H"	-2.014552
"450051"	590.068474	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M-2H"	-2.014552
"828951"	196.017974	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-2H"	-2.014552
"92228"	787.093724	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M-H"	-1.007276
"526320"	1181.144224	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M-H"	-1.007276
"901934"	393.043224	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-H"	-1.007276
"57403"	804.120271	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M-2H+NH4"	16.019271
"496962"	1198.170771	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M-2H+NH4"	16.019271
"872577"	410.069771	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-2H+NH4"	16.019271
"45588"	809.075666	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M-2H+Na"	20.974666
"486244"	1203.126166	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M-2H+Na"	20.974666
"862223"	415.025166	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-2H+Na"	20.974666
"1629572"	415.025166	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Na-2H"	20.974666
"107194"	411.031563	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M-H+Cl"	33.962126
"542379"	608.056813	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M-H+Cl"	33.962126
"934800"	214.006313	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-H+Cl"	33.962126
"273356"	823.070402	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+Cl"	34.969402
"663592"	1217.120902	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+Cl"	34.969402
"1280369"	429.019902	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Cl"	34.969402
"26203"	825.049606	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M-2H+K"	36.948606
"467950"	1219.100106	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M-2H+K"	36.948606
"844658"	430.999106	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-2H+K"	36.948606
"1563773"	430.999106	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+K-2H"	36.948606
"954942"	439.048694	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-H+HCOOH"	44.998194
"373158"	833.099201	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+HCOOH-H"	44.998201
"351573"	847.114851	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+Hac-H"	59.013851
"1504780"	453.064351	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Hac-H"	59.013851
"972687"	461.030651	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-H+NaCOOH"	66.980151
"125611"	429.019902	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+2Cl"	69.938804
"564939"	626.045152	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+2Cl"	69.938804
"1036047"	231.994652	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2Cl"	69.938804
"1254651"	472.969385	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Br"	78.918885
"1319737"	475.025372	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Cl+HCOOH"	80.974872
"1335546"	497.007329	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Cl+NaCOOH"	102.956829
"927008"	507.036086	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M-H+CF3COOH"	112.985586
"1304147"	543.012764	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Cl+CF3COOH"	148.962264
"1380519"	359.037824	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H-2H2O"	-35.012676
"1393639"	377.0478	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H-H2O"	-17.0027
"297338"	789.108276	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+H"	1.007276
"689393"	1183.158776	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+H"	1.007276
"1365015"	395.057776	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H"	1.007276
"138999"	395.057776	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+2H"	2.014552
"578558"	592.083026	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+2H"	2.014552
"1050270"	198.032526	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2H"	2.014552
"218176"	263.707609333333	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+3H"	3.021828
"650810"	395.057776	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+3H"	3.021828
"1174405"	132.357442666667	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+3H"	3.021828
"430023"	806.134823	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+NH4"	18.033823
"788833"	1200.185323	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+NH4"	18.033823
"1685163"	412.084323	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+NH4"	18.033823
"336722"	403.5710495	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+H+NH4"	19.041099
"731331"	600.5962995	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+H+NH4"	19.041099
"1490621"	206.5457995	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H+NH4"	19.041099
"404926"	811.090218	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+Na"	22.989218
"764830"	1205.140718	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+Na"	22.989218
"1615119"	417.039718	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Na"	22.989218
"326247"	406.048747	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+H+Na"	23.996494
"709556"	603.073997	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+H+Na"	23.996494
"1467022"	209.023497	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H+Na"	23.996494
"1059177"	139.684756666667	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2H+Na"	25.00377
"1271671"	427.083986	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+CH3OH+H"	33.033486
"388179"	827.064158	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+K"	38.963158
"744797"	1221.114658	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+K"	38.963158
"1554144"	433.013658	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+K"	38.963158
"309498"	414.035717	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+H+K"	39.970434
"701919"	611.060967	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+H+K"	39.970434
"1457928"	217.010467	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H+K"	39.970434
"244340"	830.134826	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+ACN+H"	42.033826
"1217049"	436.084326	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+ACN+H"	42.033826
"1195828"	218.545801	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+ACN+2H"	43.041102
"197093"	833.07216	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+2Na-H"	44.97116
"636653"	1227.12266	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+2Na-H"	44.97116
"1142348"	439.02166	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2Na-H"	44.97116
"183450"	417.039718	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+2Na"	45.978436
"623742"	614.064968	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+2Na"	45.978436
"1123602"	220.014468	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2Na"	45.978436
"1406763"	147.012070666667	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H+2Na"	46.985712
"1439972"	441.063246	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H+HCOOH"	47.012746
"232219"	422.07274	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+3H2O+2H"	56.04448
"1519914"	455.11529	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+IsoProp+H"	61.06479
"419601"	425.026688	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+Na+K"	61.952376
"781691"	622.051938	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+Na+K"	61.952376
"1676927"	228.001438	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Na+K"	61.952376
"261258"	852.116768	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+ACN+Na"	64.015768
"1236155"	458.066268	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+ACN+Na"	64.015768
"1722856"	458.089793	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+NH4+HCOOH"	64.039293
"1186024"	154.339384666667	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+3Na"	68.967654
"1651542"	463.045188	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Na+HCOOH"	68.994688
"166056"	865.02004	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+2K-H"	76.91904
"605617"	1259.07054	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+2K-H"	76.91904
"1089036"	470.96954	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2K-H"	76.91904
"151319"	433.013658	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"2M+2K"	77.926316
"584323"	630.038908	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"3M+2K"	77.926316
"1075394"	235.988408	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2K"	77.926316
"1104231"	472.984092	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2K+H"	78.933592
"1341708"	473.071707	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+DMSO+H"	79.021207
"1012427"	477.110876	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2ACN+H"	83.060376
"1529458"	478.104508	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+IsoProp+Na+H"	84.054008
"998092"	239.059076	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+2ACN+2H"	84.067652
"1594782"	479.019128	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+K+HCOOH"	84.968628
"1418252"	509.050638	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+H+CF3COOH"	115.000138
"1154012"	259.572351	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+3ACN+2H"	125.094202
"1699188"	526.077185	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+NH4+CF3COOH"	132.026685
"1646876"	531.03258	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+Na+CF3COOH"	136.98208
"1580339"	547.00652	"C17399"	"Epithienamycin F"	"C13H18N2O8S2"	"394.0505"	"M+K+CF3COOH"	152.95602
"810704"	340.0729	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M"	0
"984237"	321.05451	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-H2O-H"	-19.01839
"73572"	225.707990666667	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M-3H"	-3.021828
"516413"	339.065624	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M-3H"	-3.021828
"893487"	112.350357333333	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-3H"	-3.021828
"6232"	339.065624	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M-2H"	-2.014552
"453447"	509.102074	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M-2H"	-2.014552
"831248"	169.029174	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-2H"	-2.014552
"83587"	679.138524	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M-H"	-1.007276
"525334"	1019.211424	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M-H"	-1.007276
"905325"	339.065624	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-H"	-1.007276
"50951"	696.165071	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M-2H+NH4"	16.019271
"500355"	1036.237971	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M-2H+NH4"	16.019271
"878158"	356.092171	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-2H+NH4"	16.019271
"45943"	701.120466	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M-2H+Na"	20.974666
"485621"	1041.193366	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M-2H+Na"	20.974666
"863060"	361.047566	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-2H+Na"	20.974666
"1631143"	361.047566	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Na-2H"	20.974666
"108034"	357.053963	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M-H+Cl"	33.962126
"546864"	527.090413	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M-H+Cl"	33.962126
"938191"	187.017513	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-H+Cl"	33.962126
"276749"	715.115202	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+Cl"	34.969402
"671357"	1055.188102	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+Cl"	34.969402
"1284853"	375.042302	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Cl"	34.969402
"26313"	717.094406	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M-2H+K"	36.948606
"469883"	1057.167306	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M-2H+K"	36.948606
"844404"	377.021506	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-2H+K"	36.948606
"1563883"	377.021506	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+K-2H"	36.948606
"955052"	385.071094	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-H+HCOOH"	44.998194
"373268"	725.144001	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+HCOOH-H"	44.998201
"351683"	739.159651	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+Hac-H"	59.013851
"1504890"	399.086751	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Hac-H"	59.013851
"971338"	407.053051	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-H+NaCOOH"	66.980151
"123545"	375.042302	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+2Cl"	69.938804
"563468"	545.078752	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+2Cl"	69.938804
"1036633"	205.005852	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2Cl"	69.938804
"1254397"	418.991785	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Br"	78.918885
"1318667"	421.047772	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Cl+HCOOH"	80.974872
"1333247"	443.029729	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Cl+NaCOOH"	102.956829
"926127"	453.058486	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M-H+CF3COOH"	112.985586
"1303568"	489.035164	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Cl+CF3COOH"	148.962264
"1380265"	305.060224	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H-2H2O"	-35.012676
"1398132"	323.0702	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H-H2O"	-17.0027
"298493"	681.153076	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+H"	1.007276
"690967"	1021.225976	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+H"	1.007276
"1366754"	341.080176	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H"	1.007276
"140569"	341.080176	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+2H"	2.014552
"580980"	511.116626	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+2H"	2.014552
"1049288"	171.043726	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2H"	2.014552
"217194"	227.722542666667	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+3H"	3.021828
"652015"	341.080176	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+3H"	3.021828
"1167955"	114.364909333333	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+3H"	3.021828
"430133"	698.179623	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+NH4"	18.033823
"786876"	1038.252523	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+NH4"	18.033823
"1685272"	358.106723	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+NH4"	18.033823
"339019"	349.5934495	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+H+NH4"	19.041099
"736545"	519.6298995	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+H+NH4"	19.041099
"1491458"	179.5569995	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H+NH4"	19.041099
"408201"	703.135018	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+Na"	22.989218
"761660"	1043.207918	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+Na"	22.989218
"1615228"	363.062118	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Na"	22.989218
"323077"	352.071147	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+H+Na"	23.996494
"713312"	522.107597	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+H+Na"	23.996494
"1471508"	182.034697	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H+Na"	23.996494
"1065849"	121.692223333333	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2H+Na"	25.00377
"1270808"	373.106386	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+CH3OH+H"	33.033486
"390112"	719.108958	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+K"	38.963158
"750378"	1059.181858	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+K"	38.963158
"1546963"	379.036058	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+K"	38.963158
"309608"	360.058117	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+H+K"	39.970434
"702029"	530.094567	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+H+K"	39.970434
"1458037"	190.021667	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H+K"	39.970434
"246638"	722.179626	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+ACN+H"	42.033826
"1218252"	382.106726	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+ACN+H"	42.033826
"1195939"	191.557001	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+ACN+2H"	43.041102
"201211"	725.11696	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+2Na-H"	44.97116
"641866"	1065.18986	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+2Na-H"	44.97116
"1142458"	385.04406	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2Na-H"	44.97116
"185748"	363.062118	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+2Na"	45.978436
"625308"	533.098568	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+2Na"	45.978436
"1127721"	193.025668	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2Na"	45.978436
"1410517"	129.019537333333	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H+2Na"	46.985712
"1440082"	387.085646	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H+HCOOH"	47.012746
"230871"	368.09514	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+3H2O+2H"	56.04448
"1516745"	401.13769	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+IsoProp+H"	61.06479
"415338"	371.049088	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+Na+K"	61.952376
"783988"	541.085538	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+Na+K"	61.952376
"1675945"	201.012638	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Na+K"	61.952376
"263557"	744.161568	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+ACN+Na"	64.015768
"1234081"	404.088668	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+ACN+Na"	64.015768
"1724426"	404.112193	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+NH4+HCOOH"	64.039293
"1189051"	136.346851333333	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+3Na"	68.967654
"1659307"	409.067588	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Na+HCOOH"	68.994688
"170178"	757.06484	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+2K-H"	76.91904
"607917"	1097.13774	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+2K-H"	76.91904
"1094615"	416.99194	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2K-H"	76.91904
"154711"	379.036058	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"2M+2K"	77.926316
"586619"	549.072508	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"3M+2K"	77.926316
"1073318"	208.999608	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2K"	77.926316
"1109809"	419.006492	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2K+H"	78.933592
"1344007"	419.094107	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+DMSO+H"	79.021207
"1013631"	423.133276	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2ACN+H"	83.060376
"1535037"	424.126908	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+IsoProp+Na+H"	84.054008
"1000390"	212.070276	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+2ACN+2H"	84.067652
"1595987"	425.041528	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+K+HCOOH"	84.968628
"1422740"	455.073038	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+H+CF3COOH"	115.000138
"1157402"	232.583551	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+3ACN+2H"	125.094202
"1699297"	472.099585	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+NH4+CF3COOH"	132.026685
"1646986"	477.05498	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+Na+CF3COOH"	136.98208
"1577168"	493.02892	"C17400"	"Asparenomycin A"	"C14H16N2O6S"	"340.0729"	"M+K+CF3COOH"	152.95602
"807534"	933.2241	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M"	0
"984347"	914.20571	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-H2O-H"	-19.01839
"68215"	621.142124	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M-3H"	-3.021828
"511056"	932.216824	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M-3H"	-3.021828
"887765"	310.067424	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-3H"	-3.021828
"7434"	932.216824	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M-2H"	-2.014552
"450275"	1398.828874	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M-2H"	-2.014552
"824797"	465.604774	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-2H"	-2.014552
"80417"	1865.440924	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M-H"	-1.007276
"522164"	2798.665024	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M-H"	-1.007276
"899968"	932.216824	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-H"	-1.007276
"49964"	1882.467471	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M-2H+NH4"	16.019271
"492080"	2815.691571	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M-2H+NH4"	16.019271
"872800"	949.243371	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-2H+NH4"	16.019271
"46541"	1887.422866	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M-2H+Na"	20.974666
"484637"	2820.646966	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M-2H+Na"	20.974666
"863779"	954.198766	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-2H+Na"	20.974666
"1629794"	954.198766	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Na-2H"	20.974666
"105228"	950.205163	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M-H+Cl"	33.962126
"545881"	1416.817213	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M-H+Cl"	33.962126
"936115"	483.593113	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-H+Cl"	33.962126
"277952"	1901.417602	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+Cl"	34.969402
"671468"	2834.641702	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+Cl"	34.969402
"1283869"	968.193502	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Cl"	34.969402
"26423"	1903.396806	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M-2H+K"	36.948606
"469629"	2836.620906	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M-2H+K"	36.948606
"844878"	970.172706	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-2H+K"	36.948606
"1558526"	970.172706	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+K-2H"	36.948606
"953705"	978.222294	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-H+HCOOH"	44.998194
"370098"	1911.446401	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+HCOOH-H"	44.998201
"351793"	1925.462051	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+Hac-H"	59.013851
"1502814"	992.237951	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Hac-H"	59.013851
"967075"	1000.204251	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-H+NaCOOH"	66.980151
"123655"	968.193502	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+2Cl"	69.938804
"563942"	1434.805552	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+2Cl"	69.938804
"1036014"	501.581452	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2Cl"	69.938804
"1255601"	1012.142985	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Br"	78.918885
"1319709"	1014.198972	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Cl+HCOOH"	80.974872
"1335579"	1036.180929	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Cl+NaCOOH"	102.956829
"927002"	1046.209686	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M-H+CF3COOH"	112.985586
"1304158"	1082.186364	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Cl+CF3COOH"	148.962264
"1380739"	898.211424	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H-2H2O"	-35.012676
"1398236"	916.2214	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H-H2O"	-17.0027
"294275"	1867.455476	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+H"	1.007276
"690221"	2800.679576	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+H"	1.007276
"1365233"	934.231376	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H"	1.007276
"140068"	934.231376	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+2H"	2.014552
"578046"	1400.843426	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+2H"	2.014552
"1049397"	467.619326	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2H"	2.014552
"215845"	623.156676	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+3H"	3.021828
"651032"	934.231376	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+3H"	3.021828
"1169159"	312.081976	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+3H"	3.021828
"429149"	1884.482023	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+NH4"	18.033823
"786863"	2817.706123	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+NH4"	18.033823
"1685381"	951.257923	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+NH4"	18.033823
"331474"	942.7446495	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+H+NH4"	19.041099
"731551"	1409.3566995	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+H+NH4"	19.041099
"1486465"	476.1325995	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H+NH4"	19.041099
"408063"	1889.437418	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+Na"	22.989218
"761770"	2822.661518	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+Na"	22.989218
"1614244"	956.213318	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Na"	22.989218
"323187"	945.222347	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+H+Na"	23.996494
"713422"	1411.834397	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+H+Na"	23.996494
"1472710"	478.610297	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H+Na"	23.996494
"1065959"	319.40929	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2H+Na"	25.00377
"1270918"	966.257586	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+CH3OH+H"	33.033486
"390586"	1905.411358	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+K"	38.963158
"748301"	2838.635458	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+K"	38.963158
"1547073"	972.187258	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+K"	38.963158
"310811"	953.209317	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+H+K"	39.970434
"704326"	1419.821367	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+H+K"	39.970434
"1459241"	486.597267	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H+K"	39.970434
"245655"	1908.482026	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+ACN+H"	42.033826
"1217270"	975.257926	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+ACN+H"	42.033826
"1194954"	488.132601	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+ACN+2H"	43.041102
"201685"	1911.41936	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+2Na-H"	44.97116
"642340"	2844.64346	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+2Na-H"	44.97116
"1144755"	978.19526	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2Na-H"	44.97116
"185860"	956.213318	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+2Na"	45.978436
"623231"	1422.825368	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+2Na"	45.978436
"1126739"	489.601268	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2Na"	45.978436
"1404796"	326.736604	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H+2Na"	46.985712
"1440192"	980.236846	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H+HCOOH"	47.012746
"230981"	961.24634	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+3H2O+2H"	56.04448
"1520135"	994.28889	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+IsoProp+H"	61.06479
"415448"	964.200288	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+Na+K"	61.952376
"784098"	1430.812338	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+Na+K"	61.952376
"1678607"	497.588238	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Na+K"	61.952376
"265489"	1930.463968	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+ACN+Na"	64.015768
"1235285"	997.239868	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+ACN+Na"	64.015768
"1727737"	997.263393	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+NH4+HCOOH"	64.039293
"1189525"	334.063918	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+3Na"	68.967654
"1659417"	1002.218788	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Na+HCOOH"	68.994688
"169559"	1943.36724	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+2K-H"	76.91904
"608025"	2876.59134	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+2K-H"	76.91904
"1095818"	1010.14314	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2K-H"	76.91904
"153728"	972.187258	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"2M+2K"	77.926316
"586729"	1438.799308	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"3M+2K"	77.926316
"1075616"	505.575208	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2K"	77.926316
"1109919"	1012.157692	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2K+H"	78.933592
"1345211"	1012.245307	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+DMSO+H"	79.021207
"1013741"	1016.284476	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2ACN+H"	83.060376
"1534053"	1017.278108	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+IsoProp+Na+H"	84.054008
"996126"	508.645876	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+2ACN+2H"	84.067652
"1591723"	1018.192728	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+K+HCOOH"	84.968628
"1415438"	1048.224238	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+H+CF3COOH"	115.000138
"1153139"	529.159151	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+3ACN+2H"	125.094202
"1697148"	1065.250785	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+NH4+CF3COOH"	132.026685
"1646003"	1070.20618	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+Na+CF3COOH"	136.98208
"1575091"	1086.18012	"C17401"	"Cobalt-factor III"	"C43H46CoN4O16"	"933.2241"	"M+K+CF3COOH"	152.95602
"807644"	312.1144	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M"	0
"981177"	293.09601	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-H2O-H"	-19.01839
"67232"	207.068990666667	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M-3H"	-3.021828
"508979"	311.107124	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M-3H"	-3.021828
"885688"	103.030857333333	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-3H"	-3.021828
"6451"	311.107124	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M-2H"	-2.014552
"449292"	467.164324	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M-2H"	-2.014552
"824907"	155.049924	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-2H"	-2.014552
"78822"	623.221524	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M-H"	-1.007276
"524460"	935.335924	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M-H"	-1.007276
"896063"	311.107124	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-H"	-1.007276
"49706"	640.248071	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M-2H+NH4"	16.019271
"488417"	952.362471	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M-2H+NH4"	16.019271
"874003"	328.133671	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-2H+NH4"	16.019271
"45191"	645.203466	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M-2H+Na"	20.974666
"484747"	957.317866	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M-2H+Na"	20.974666
"863524"	333.089066	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-2H+Na"	20.974666
"1630269"	333.089066	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Na-2H"	20.974666
"106431"	329.095463	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M-H+Cl"	33.962126
"545263"	485.152663	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M-H+Cl"	33.962126
"936225"	173.038263	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-H+Cl"	33.962126
"276968"	659.198202	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+Cl"	34.969402
"670485"	971.312602	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+Cl"	34.969402
"1285072"	347.083802	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Cl"	34.969402
"26533"	661.177406	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M-2H+K"	36.948606
"469011"	973.291806	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M-2H+K"	36.948606
"844260"	349.063006	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-2H+K"	36.948606
"1560823"	349.063006	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+K-2H"	36.948606
"954544"	357.112594	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-H+HCOOH"	44.998194
"370206"	669.227001	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+HCOOH-H"	44.998201
"352266"	683.242651	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+Hac-H"	59.013851
"1504017"	371.128251	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Hac-H"	59.013851
"967183"	379.094551	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-H+NaCOOH"	66.980151
"124852"	347.083802	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+2Cl"	69.938804
"563317"	503.141002	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+2Cl"	69.938804
"1035397"	191.026602	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2Cl"	69.938804
"1255344"	391.033285	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Br"	78.918885
"1319252"	393.089272	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Cl+HCOOH"	80.974872
"1335455"	415.071229	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Cl+NaCOOH"	102.956829
"926797"	425.099986	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M-H+CF3COOH"	112.985586
"1302930"	461.076664	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Cl+CF3COOH"	148.962264
"1380971"	277.101724	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H-2H2O"	-35.012676
"1393970"	295.1117	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H-H2O"	-17.0027
"295479"	625.236076	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+H"	1.007276
"690576"	937.350476	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+H"	1.007276
"1362790"	313.121676	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H"	1.007276
"138595"	313.121676	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+2H"	2.014552
"577791"	469.178876	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+2H"	2.014552
"1049507"	157.064476	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2H"	2.014552
"214493"	209.083542666667	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+3H"	3.021828
"646039"	313.121676	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+3H"	3.021828
"1165986"	105.045409333333	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+3H"	3.021828
"427072"	642.262623	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+NH4"	18.033823
"786118"	954.377023	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+NH4"	18.033823
"1682575"	330.148223	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+NH4"	18.033823
"331584"	321.6349495	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+H+NH4"	19.041099
"731661"	477.6921495	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+H+NH4"	19.041099
"1486575"	165.5777495	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H+NH4"	19.041099
"407932"	647.218018	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+Na"	22.989218
"761880"	959.332418	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+Na"	22.989218
"1614354"	335.103618	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Na"	22.989218
"323297"	324.112647	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+H+Na"	23.996494
"713532"	480.169847	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+H+Na"	23.996494
"1468447"	168.055447	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H+Na"	23.996494
"1066069"	112.372723333333	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2H+Na"	25.00377
"1268841"	345.147886	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+CH3OH+H"	33.033486
"386322"	663.191958	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+K"	38.963158
"746224"	975.306358	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+K"	38.963158
"1547183"	351.077558	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+K"	38.963158
"308735"	332.099617	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+H+K"	39.970434
"700061"	488.156817	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+H+K"	39.970434
"1454976"	176.042417	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H+K"	39.970434
"243579"	666.262626	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+ACN+H"	42.033826
"1218472"	354.148226	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+ACN+H"	42.033826
"1196887"	177.577751	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+ACN+2H"	43.041102
"194139"	669.19996	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+2Na-H"	44.97116
"628566"	981.31436	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+2Na-H"	44.97116
"1143775"	357.08556	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2Na-H"	44.97116
"185968"	335.103618	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+2Na"	45.978436
"624435"	491.160818	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+2Na"	45.978436
"1127942"	179.046418	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2Na"	45.978436
"1407093"	119.700037333333	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H+2Na"	46.985712
"1435928"	359.127146	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H+HCOOH"	47.012746
"229998"	340.13664	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+3H2O+2H"	56.04448
"1516965"	373.17919	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+IsoProp+H"	61.06479
"414465"	343.090588	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+Na+K"	61.952376
"784210"	499.147788	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+Na+K"	61.952376
"1678717"	187.033388	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Na+K"	61.952376
"265599"	688.244568	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+ACN+Na"	64.015768
"1234301"	376.130168	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+ACN+Na"	64.015768
"1724281"	376.153693	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+NH4+HCOOH"	64.039293
"1189635"	127.027351333333	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+3Na"	68.967654
"1657339"	381.109088	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Na+HCOOH"	68.994688
"171612"	701.14784	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+2K-H"	76.91904
"607041"	1013.26224	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+2K-H"	76.91904
"1094834"	389.03344	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2K-H"	76.91904
"152743"	351.077558	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"2M+2K"	77.926316
"586109"	507.134758	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"3M+2K"	77.926316
"1074631"	195.020358	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2K"	77.926316
"1110029"	391.047992	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2K+H"	78.933592
"1347507"	391.135607	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+DMSO+H"	79.021207
"1014944"	395.174776	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2ACN+H"	83.060376
"1535256"	396.168408	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+IsoProp+Na+H"	84.054008
"996236"	198.091026	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+2ACN+2H"	84.067652
"1591833"	397.083028	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+K+HCOOH"	84.968628
"1416399"	427.114538	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+H+CF3COOH"	115.000138
"1153249"	218.604301	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+3ACN+2H"	125.094202
"1697330"	444.141085	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+NH4+CF3COOH"	132.026685
"1646113"	449.09648	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+Na+CF3COOH"	136.98208
"1575201"	465.07042	"C17402"	"Penicillin F;2-Pentenylpenicillin"	"C14H20N2O4S"	"312.1144"	"M+K+CF3COOH"	152.95602
"807754"	342.1613	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M"	0
"981287"	323.14291	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-H2O-H"	-19.01839
"67342"	227.100257333333	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M-3H"	-3.021828
"509089"	341.154024	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M-3H"	-3.021828
"887985"	113.046490666667	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-3H"	-3.021828
"6561"	341.154024	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M-2H"	-2.014552
"447215"	512.234674	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M-2H"	-2.014552
"825017"	170.073374	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-2H"	-2.014552
"79052"	683.315324	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M-H"	-1.007276
"524570"	1025.476624	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M-H"	-1.007276
"896053"	341.154024	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-H"	-1.007276
"51274"	700.341871	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M-2H+NH4"	16.019271
"490469"	1042.503171	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M-2H+NH4"	16.019271
"870833"	358.180571	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-2H+NH4"	16.019271
"39830"	705.297266	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M-2H+Na"	20.974666
"478295"	1047.458566	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M-2H+Na"	20.974666
"863149"	363.135966	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-2H+Na"	20.974666
"1630006"	363.135966	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Na-2H"	20.974666
"107264"	359.142363	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M-H+Cl"	33.962126
"545005"	530.223013	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M-H+Cl"	33.962126
"936331"	188.061713	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-H+Cl"	33.962126
"274889"	719.292002	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+Cl"	34.969402
"668404"	1061.453302	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+Cl"	34.969402
"1284817"	377.130702	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Cl"	34.969402
"23363"	721.271206	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M-2H+K"	36.948606
"467297"	1063.432506	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M-2H+K"	36.948606
"840724"	379.109906	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-2H+K"	36.948606
"1560933"	379.109906	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+K-2H"	36.948606
"951006"	387.159494	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-H+HCOOH"	44.998194
"371409"	729.320801	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+HCOOH-H"	44.998201
"353103"	743.336451	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+Hac-H"	59.013851
"1503763"	401.175151	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Hac-H"	59.013851
"967293"	409.141451	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-H+NaCOOH"	66.980151
"124961"	377.130702	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+2Cl"	69.938804
"561964"	548.211352	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+2Cl"	69.938804
"1035503"	206.050052	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2Cl"	69.938804
"1256184"	421.080185	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Br"	78.918885
"1319359"	423.136172	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Cl+HCOOH"	80.974872
"1334793"	445.118129	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Cl+NaCOOH"	102.956829
"926340"	455.146886	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M-H+CF3COOH"	112.985586
"1303938"	491.123564	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Cl+CF3COOH"	148.962264
"1381933"	307.148624	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H-2H2O"	-35.012676
"1397239"	325.1586	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H-H2O"	-17.0027
"296318"	685.329876	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+H"	1.007276
"690894"	1027.491176	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+H"	1.007276
"1366546"	343.168576	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H"	1.007276
"139069"	343.168576	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+2H"	2.014552
"577536"	514.249226	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+2H"	2.014552
"1049981"	172.087926	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2H"	2.014552
"217883"	229.114809333333	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+3H"	3.021828
"647972"	343.168576	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+3H"	3.021828
"1168282"	115.061042666667	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+3H"	3.021828
"430462"	702.356423	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+NH4"	18.033823
"790364"	1044.517723	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+NH4"	18.033823
"1683414"	360.195123	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+NH4"	18.033823
"334972"	351.6818495	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+H+NH4"	19.041099
"728490"	522.7624995	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+H+NH4"	19.041099
"1483404"	180.6011995	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H+NH4"	19.041099
"407069"	707.311818	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+Na"	22.989218
"765270"	1049.473118	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+Na"	22.989218
"1613371"	365.150518	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Na"	22.989218
"320126"	354.159547	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+H+Na"	23.996494
"712548"	525.240197	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+H+Na"	23.996494
"1469650"	183.078897	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H+Na"	23.996494
"1065815"	122.388356666667	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2H+Na"	25.00377
"1269316"	375.194786	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+CH3OH+H"	33.033486
"386432"	723.285758	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+K"	38.963158
"746334"	1065.447058	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+K"	38.963158
"1551666"	381.124458	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+K"	38.963158
"307752"	362.146517	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+H+K"	39.970434
"700172"	533.227167	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+H+K"	39.970434
"1455087"	191.065867	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H+K"	39.970434
"243689"	726.356426	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+ACN+H"	42.033826
"1219676"	384.195126	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+ACN+H"	42.033826
"1201371"	192.601201	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+ACN+2H"	43.041102
"192426"	729.29376	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+2Na-H"	44.97116
"628820"	1071.45506	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+2Na-H"	44.97116
"1144613"	387.13246	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2Na-H"	44.97116
"186078"	365.150518	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+2Na"	45.978436
"626490"	536.231168	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+2Na"	45.978436
"1128781"	194.069868	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2Na"	45.978436
"1410483"	129.715670666667	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H+2Na"	46.985712
"1438225"	389.174046	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H+HCOOH"	47.012746
"232294"	370.18354	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+3H2O+2H"	56.04448
"1520355"	403.22609	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+IsoProp+H"	61.06479
"414575"	373.137488	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+Na+K"	61.952376
"783592"	544.218138	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+Na+K"	61.952376
"1679192"	202.056838	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Na+K"	61.952376
"264980"	748.338368	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+ACN+Na"	64.015768
"1238422"	406.177068	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+ACN+Na"	64.015768
"1727308"	406.200593	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+NH4+HCOOH"	64.039293
"1188652"	137.042984666667	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+3Na"	68.967654
"1660731"	411.155988	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Na+HCOOH"	68.994688
"169779"	761.24164	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+2K-H"	76.91904
"606058"	1103.40294	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+2K-H"	76.91904
"1094944"	419.08034	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2K-H"	76.91904
"152853"	381.124458	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"2M+2K"	77.926316
"589135"	552.205108	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"3M+2K"	77.926316
"1075835"	210.043808	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2K"	77.926316
"1105766"	421.094892	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2K+H"	78.933592
"1345430"	421.182507	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+DMSO+H"	79.021207
"1015054"	425.221676	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2ACN+H"	83.060376
"1535366"	426.215308	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+IsoProp+Na+H"	84.054008
"996346"	213.114476	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+2ACN+2H"	84.067652
"1593036"	427.129928	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+K+HCOOH"	84.968628
"1415416"	457.161438	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+H+CF3COOH"	115.000138
"1154451"	233.627751	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+3ACN+2H"	125.094202
"1697196"	474.187985	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+NH4+CF3COOH"	132.026685
"1647316"	479.14338	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+Na+CF3COOH"	136.98208
"1577498"	495.11732	"C17403"	"Penicillin K;Penicillin A"	"C16H26N2O4S"	"342.1613"	"M+K+CF3COOH"	152.95602
"807864"	350.0936	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M"	0
"979210"	331.07521	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-H2O-H"	-19.01839
"68546"	232.388457333333	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M-3H"	-3.021828
"511387"	349.086324	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M-3H"	-3.021828
"882627"	115.690590666667	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-3H"	-3.021828
"1324"	349.086324	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M-2H"	-2.014552
"445139"	524.133124	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M-2H"	-2.014552
"818933"	174.039524	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-2H"	-2.014552
"80744"	699.179924	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M-H"	-1.007276
"520303"	1049.273524	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M-H"	-1.007276
"897620"	349.086324	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-H"	-1.007276
"50292"	716.206471	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M-2H+NH4"	16.019271
"489974"	1066.300071	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M-2H+NH4"	16.019271
"872036"	366.112871	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-2H+NH4"	16.019271
"41033"	721.161866	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M-2H+Na"	20.974666
"483148"	1071.255466	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M-2H+Na"	20.974666
"860585"	371.068266	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-2H+Na"	20.974666
"1630853"	371.068266	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Na-2H"	20.974666
"107015"	367.074663	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M-H+Cl"	33.962126
"544021"	542.121463	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M-H+Cl"	33.962126
"937535"	192.027863	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-H+Cl"	33.962126
"278279"	735.156602	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+Cl"	34.969402
"670700"	1085.250202	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+Cl"	34.969402
"1285292"	385.063002	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Cl"	34.969402
"26753"	737.135806	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M-2H+K"	36.948606
"470325"	1087.229406	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M-2H+K"	36.948606
"841927"	387.042206	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-2H+K"	36.948606
"1561043"	387.042206	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+K-2H"	36.948606
"953302"	395.091794	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-H+HCOOH"	44.998194
"368237"	745.185401	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+HCOOH-H"	44.998201
"353213"	759.201051	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+Hac-H"	59.013851
"1503143"	409.107451	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Hac-H"	59.013851
"967404"	417.073751	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-H+NaCOOH"	66.980151
"122516"	385.063002	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+2Cl"	69.938804
"564022"	560.109802	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+2Cl"	69.938804
"1033789"	210.016202	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2Cl"	69.938804
"1256986"	429.012485	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Br"	78.918885
"1319880"	431.068472	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Cl+HCOOH"	80.974872
"1335582"	453.050429	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Cl+NaCOOH"	102.956829
"926903"	463.079186	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M-H+CF3COOH"	112.985586
"1303936"	499.055864	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Cl+CF3COOH"	148.962264
"1382696"	315.080924	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H-2H2O"	-35.012676
"1397596"	333.0909	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H-H2O"	-17.0027
"298492"	701.194476	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+H"	1.007276
"691207"	1051.288076	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+H"	1.007276
"1366714"	351.100876	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H"	1.007276
"141323"	351.100876	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+2H"	2.014552
"581144"	526.147676	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+2H"	2.014552
"1050091"	176.054076	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2H"	2.014552
"215441"	234.403009333333	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+3H"	3.021828
"649175"	351.100876	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+3H"	3.021828
"1168392"	117.705142666667	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+3H"	3.021828
"430572"	718.221023	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+NH4"	18.033823
"791566"	1068.314623	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+NH4"	18.033823
"1692271"	368.127423	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+NH4"	18.033823
"341642"	359.6141495	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+H+NH4"	19.041099
"728599"	534.6609495	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+H+NH4"	19.041099
"1483514"	184.5673495	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H+NH4"	19.041099
"408279"	723.176418	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+Na"	22.989218
"769805"	1073.270018	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+Na"	22.989218
"1614574"	373.082818	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Na"	22.989218
"320236"	362.091847	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+H+Na"	23.996494
"715938"	537.138647	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+H+Na"	23.996494
"1471946"	187.045047	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H+Na"	23.996494
"1061914"	125.032456666667	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2H+Na"	25.00377
"1265780"	383.127086	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+CH3OH+H"	33.033486
"388729"	739.150358	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+K"	38.963158
"747538"	1089.243958	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+K"	38.963158
"1548496"	389.056758	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+K"	38.963158
"303486"	370.078817	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+H+K"	39.970434
"703561"	545.125617	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+H+K"	39.970434
"1457385"	195.032017	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H+K"	39.970434
"243800"	742.221026	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+ACN+H"	42.033826
"1215416"	392.127426	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+ACN+H"	42.033826
"1208042"	196.567351	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+ACN+2H"	43.041102
"191805"	745.15836	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+2Na-H"	44.97116
"629907"	1095.25196	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+2Na-H"	44.97116
"1142898"	395.06476	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2Na-H"	44.97116
"184000"	373.082818	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+2Na"	45.978436
"625748"	548.129618	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+2Na"	45.978436
"1124882"	198.036018	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2Na"	45.978436
"1409497"	132.359770666667	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H+2Na"	46.985712
"1437240"	397.106346	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H+HCOOH"	47.012746
"229123"	378.11584	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+3H2O+2H"	56.04448
"1517186"	411.15839	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+IsoProp+H"	61.06479
"421246"	381.069788	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+Na+K"	61.952376
"783334"	556.116588	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+Na+K"	61.952376
"1680637"	206.022988	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Na+K"	61.952376
"261813"	764.202968	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+ACN+Na"	64.015768
"1237800"	414.109368	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+ACN+Na"	64.015768
"1726688"	414.132893	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+NH4+HCOOH"	64.039293
"1187668"	139.687084666667	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+3Na"	68.967654
"1660841"	419.088288	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Na+HCOOH"	68.994688
"170982"	777.10624	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+2K-H"	76.91904
"606168"	1127.19984	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+2K-H"	76.91904
"1093962"	427.01264	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2K-H"	76.91904
"146405"	389.056758	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"2M+2K"	77.926316
"587060"	564.103558	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"3M+2K"	77.926316
"1073760"	214.009958	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2K"	77.926316
"1104783"	429.027192	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2K+H"	78.933592
"1340073"	429.114807	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+DMSO+H"	79.021207
"1010790"	433.153976	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2ACN+H"	83.060376
"1532196"	434.147608	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+IsoProp+Na+H"	84.054008
"992083"	217.080626	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+2ACN+2H"	84.067652
"1589866"	435.062228	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+K+HCOOH"	84.968628
"1418809"	465.093738	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+H+CF3COOH"	115.000138
"1150190"	237.593901	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+3ACN+2H"	125.094202
"1697914"	482.120285	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+NH4+CF3COOH"	132.026685
"1647062"	487.07568	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+Na+CF3COOH"	136.98208
"1577608"	503.04962	"C17404"	"Penicillin X"	"C16H18N2O5S"	"350.0936"	"M+K+CF3COOH"	152.95602
"807974"	330.0708	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M"	0
"975188"	311.05241	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-H2O-H"	-19.01839
"67562"	219.039924	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M-3H"	-3.021828
"511497"	329.063524	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M-3H"	-3.021828
"882736"	109.016324	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-3H"	-3.021828
"1676"	329.063524	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M-2H"	-2.014552
"441969"	494.098924	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M-2H"	-2.014552
"819043"	164.028124	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-2H"	-2.014552
"80488"	659.134324	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M-H"	-1.007276
"519564"	989.205124	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M-H"	-1.007276
"897487"	329.063524	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-H"	-1.007276
"49672"	676.160871	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M-2H+NH4"	16.019271
"488871"	1006.231671	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M-2H+NH4"	16.019271
"869960"	346.090071	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-2H+NH4"	16.019271
"38957"	681.116266	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M-2H+Na"	20.974666
"483258"	1011.187066	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M-2H+Na"	20.974666
"862519"	351.045466	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-2H+Na"	20.974666
"1632055"	351.045466	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Na-2H"	20.974666
"108583"	347.051863	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M-H+Cl"	33.962126
"545225"	512.087263	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M-H+Cl"	33.962126
"937645"	182.016463	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-H+Cl"	33.962126
"277296"	695.111002	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+Cl"	34.969402
"669717"	1025.181802	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+Cl"	34.969402
"1286497"	365.040202	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Cl"	34.969402
"27957"	697.090206	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M-2H+K"	36.948606
"469706"	1027.161006	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M-2H+K"	36.948606
"840944"	367.019406	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-2H+K"	36.948606
"1560059"	367.019406	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+K-2H"	36.948606
"954506"	375.068994	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-H+HCOOH"	44.998194
"369440"	705.139801	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+HCOOH-H"	44.998201
"356603"	719.155451	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+Hac-H"	59.013851
"1503253"	389.084651	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Hac-H"	59.013851
"969700"	397.050951	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-H+NaCOOH"	66.980151
"121523"	365.040202	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+2Cl"	69.938804
"560356"	530.075602	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+2Cl"	69.938804
"1030980"	200.004802	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2Cl"	69.938804
"1251651"	408.989685	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Br"	78.918885
"1313371"	411.045672	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Cl+HCOOH"	80.974872
"1334274"	433.027629	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Cl+NaCOOH"	102.956829
"924482"	443.056386	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M-H+CF3COOH"	112.985586
"1299731"	479.033064	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Cl+CF3COOH"	148.962264
"1377892"	295.058124	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H-2H2O"	-35.012676
"1394664"	313.0681	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H-H2O"	-17.0027
"294715"	661.148876	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+H"	1.007276
"691024"	991.219676	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+H"	1.007276
"1366647"	331.078076	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H"	1.007276
"141374"	331.078076	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+2H"	2.014552
"578485"	496.113476	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+2H"	2.014552
"1049107"	166.042676	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2H"	2.014552
"215186"	221.054476	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+3H"	3.021828
"648190"	331.078076	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+3H"	3.021828
"1166316"	111.030876	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+3H"	3.021828
"427400"	678.175423	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+NH4"	18.033823
"792770"	1008.246223	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+NH4"	18.033823
"1689101"	348.104623	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+NH4"	18.033823
"338472"	339.5913495	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+H+NH4"	19.041099
"725793"	504.6267495	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+H+NH4"	19.041099
"1484717"	174.5559495	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H+NH4"	19.041099
"408369"	683.130818	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+Na"	22.989218
"769379"	1013.201618	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+Na"	22.989218
"1615775"	353.060018	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Na"	22.989218
"323626"	342.069047	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+H+Na"	23.996494
"713861"	507.104447	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+H+Na"	23.996494
"1467683"	177.033647	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H+Na"	23.996494
"1062025"	118.35819	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2H+Na"	25.00377
"1263703"	363.104286	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+CH3OH+H"	33.033486
"386652"	699.104758	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+K"	38.963158
"747648"	1029.175558	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+K"	38.963158
"1547512"	369.033958	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+K"	38.963158
"304689"	350.056017	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+H+K"	39.970434
"702577"	515.091417	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+H+K"	39.970434
"1453121"	185.020617	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H+K"	39.970434
"239535"	702.175426	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+ACN+H"	42.033826
"1214431"	372.104626	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+ACN+H"	42.033826
"1199405"	186.555951	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+ACN+2H"	43.041102
"189725"	705.11276	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+2Na-H"	44.97116
"629163"	1035.18356	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+2Na-H"	44.97116
"1140821"	375.04196	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2Na-H"	44.97116
"180830"	353.060018	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+2Na"	45.978436
"622578"	518.095418	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+2Na"	45.978436
"1126085"	188.024618	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2Na"	45.978436
"1407420"	125.685504	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H+2Na"	46.985712
"1432976"	377.083546	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H+HCOOH"	47.012746
"227046"	358.09304	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+3H2O+2H"	56.04448
"1517296"	391.13559	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+IsoProp+H"	61.06479
"421356"	361.046988	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+Na+K"	61.952376
"781258"	526.082388	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+Na+K"	61.952376
"1679654"	196.011588	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Na+K"	61.952376
"264109"	724.157368	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+ACN+Na"	64.015768
"1237910"	394.086568	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+ACN+Na"	64.015768
"1725704"	394.110093	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+NH4+HCOOH"	64.039293
"1187778"	133.012818	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+3Na"	68.967654
"1659856"	399.065488	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Na+HCOOH"	68.994688
"169998"	737.06064	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+2K-H"	76.91904
"610652"	1067.13144	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+2K-H"	76.91904
"1091884"	406.98984	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2K-H"	76.91904
"144327"	369.033958	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"2M+2K"	77.926316
"583890"	534.069358	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"3M+2K"	77.926316
"1073868"	203.998558	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2K"	77.926316
"1107079"	409.004392	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2K+H"	78.933592
"1339090"	409.092007	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+DMSO+H"	79.021207
"1011993"	413.131176	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2ACN+H"	83.060376
"1531213"	414.124808	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+IsoProp+Na+H"	84.054008
"992557"	207.069226	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+2ACN+2H"	84.067652
"1589976"	415.039428	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+K+HCOOH"	84.968628
"1418919"	445.070938	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+H+CF3COOH"	115.000138
"1150300"	227.582501	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+3ACN+2H"	125.094202
"1697658"	462.097485	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+NH4+CF3COOH"	132.026685
"1647536"	467.05288	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+Na+CF3COOH"	136.98208
"1574438"	483.02682	"C17405"	"Penicillin O"	"C13H18N2O4S2"	"330.0708"	"M+K+CF3COOH"	152.95602
"811364"	1700.173	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M"	0
"978336"	1681.15461	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-H2O-H"	-19.01839
"73139"	1132.44139066667	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M-3H"	-3.021828
"511607"	1699.165724	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M-3H"	-3.021828
"887221"	565.717057333333	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-3H"	-3.021828
"4703"	1699.165724	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M-2H"	-2.014552
"444266"	2549.252224	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M-2H"	-2.014552
"819153"	849.079224	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-2H"	-2.014552
"84246"	3399.338724	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M-H"	-1.007276
"521621"	5099.511724	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M-H"	-1.007276
"897960"	1699.165724	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-H"	-1.007276
"49055"	3416.365271	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M-2H+NH4"	16.019271
"489343"	5116.538271	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M-2H+NH4"	16.019271
"870069"	1716.192271	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-2H+NH4"	16.019271
"37971"	3421.320666	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M-2H+Na"	20.974666
"481908"	5121.493666	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M-2H+Na"	20.974666
"859711"	1721.147666	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-2H+Na"	20.974666
"1633622"	1721.147666	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Na-2H"	20.974666
"109625"	1717.154063	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M-H+Cl"	33.962126
"545335"	2567.240563	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M-H+Cl"	33.962126
"938849"	867.067563	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-H+Cl"	33.962126
"280686"	3435.315402	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+Cl"	34.969402
"668734"	5135.488402	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+Cl"	34.969402
"1285877"	1735.142402	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Cl"	34.969402
"28067"	3437.294606	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M-2H+K"	36.948606
"469451"	5137.467606	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M-2H+K"	36.948606
"841054"	1737.121606	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-2H+K"	36.948606
"1561263"	1737.121606	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+K-2H"	36.948606
"951336"	1745.171194	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-H+HCOOH"	44.998194
"368457"	3445.344201	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+HCOOH-H"	44.998201
"354528"	3459.359851	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+Hac-H"	59.013851
"1502270"	1759.186851	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Hac-H"	59.013851
"967624"	1767.153151	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-H+NaCOOH"	66.980151
"119811"	1735.142402	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+2Cl"	69.938804
"561560"	2585.228902	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+2Cl"	69.938804
"1030359"	885.055902	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2Cl"	69.938804
"1252854"	1779.091885	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Br"	78.918885
"1315668"	1781.147872	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Cl+HCOOH"	80.974872
"1331710"	1803.129829	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Cl+NaCOOH"	102.956829
"925325"	1813.158586	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M-H+CF3COOH"	112.985586
"1300570"	1849.135264	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Cl+CF3COOH"	148.962264
"1378002"	1665.160324	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H-2H2O"	-35.012676
"1394774"	1683.1703	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H-H2O"	-17.0027
"297377"	3401.353276	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+H"	1.007276
"689068"	5101.526276	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+H"	1.007276
"1365421"	1701.180276	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H"	1.007276
"140254"	1701.180276	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+2H"	2.014552
"579324"	2551.266776	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+2H"	2.014552
"1049583"	851.093776	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2H"	2.014552
"214568"	1134.45594266667	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+3H"	3.021828
"645018"	1701.180276	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+3H"	3.021828
"1163265"	567.731609333333	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+3H"	3.021828
"424714"	3418.379823	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+NH4"	18.033823
"787413"	5118.552823	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+NH4"	18.033823
"1687023"	1718.206823	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+NH4"	18.033823
"338582"	1709.6935495	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+H+NH4"	19.041099
"728819"	2559.7800495	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+H+NH4"	19.041099
"1483734"	859.6070495	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H+NH4"	19.041099
"403507"	3423.335218	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+Na"	22.989218
"768759"	5123.508218	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+Na"	22.989218
"1616979"	1723.162218	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Na"	22.989218
"322644"	1712.171247	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+H+Na"	23.996494
"710690"	2562.257747	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+H+Na"	23.996494
"1469982"	862.084747	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H+Na"	23.996494
"1065416"	575.058923333333	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2H+Na"	25.00377
"1267093"	1733.206486	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+CH3OH+H"	33.033486
"386762"	3439.309158	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+K"	38.963158
"747758"	5139.482158	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+K"	38.963158
"1549810"	1739.136158	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+K"	38.963158
"305894"	1720.158217	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+H+K"	39.970434
"702686"	2570.244717	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+H+K"	39.970434
"1453231"	870.071717	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H+K"	39.970434
"242925"	3442.379826	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+ACN+H"	42.033826
"1212719"	1742.206826	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+ACN+H"	42.033826
"1199515"	871.607051	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+ACN+2H"	43.041102
"189838"	3445.31716	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+2Na-H"	44.97116
"630003"	5145.49016	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+2Na-H"	44.97116
"1143118"	1745.14416	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2Na-H"	44.97116
"182034"	1723.162218	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+2Na"	45.978436
"623781"	2573.248718	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+2Na"	45.978436
"1128017"	873.075718	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2Na"	45.978436
"1412634"	582.386237333333	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H+2Na"	46.985712
"1437461"	1747.185746	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H+HCOOH"	47.012746
"234447"	1728.19524	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+3H2O+2H"	56.04448
"1520322"	1761.23779	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+IsoProp+H"	61.06479
"419280"	1731.149188	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+Na+K"	61.952376
"780276"	2581.235688	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+Na+K"	61.952376
"1676607"	881.062688	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Na+K"	61.952376
"260940"	3464.361768	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+ACN+Na"	64.015768
"1240208"	1764.188768	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+ACN+Na"	64.015768
"1727637"	1764.212293	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+NH4+HCOOH"	64.039293
"1191169"	589.713551333333	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+3Na"	68.967654
"1662154"	1769.167688	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Na+HCOOH"	68.994688
"169016"	3477.26504	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+2K-H"	76.91904
"609668"	5177.43804	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+2K-H"	76.91904
"1091995"	1777.09204	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2K-H"	76.91904
"146627"	1739.136158	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"2M+2K"	77.926316
"584001"	2589.222658	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"3M+2K"	77.926316
"1072884"	889.049658	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2K"	77.926316
"1108283"	1779.106592	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2K+H"	78.933592
"1339200"	1779.194207	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+DMSO+H"	79.021207
"1009917"	1783.233376	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2ACN+H"	83.060376
"1530230"	1784.227008	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+IsoProp+Na+H"	84.054008
"993396"	892.120326	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+2ACN+2H"	84.067652
"1591179"	1785.141628	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+K+HCOOH"	84.968628
"1420122"	1815.173138	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+H+CF3COOH"	115.000138
"1150410"	912.633601	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+3ACN+2H"	125.094202
"1698011"	1832.199685	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+NH4+CF3COOH"	132.026685
"1646553"	1837.15508	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+Na+CF3COOH"	136.98208
"1574548"	1853.12902	"C17409"	"Chinese gallotannin"	"C76H52O46"	"1700.173"	"M+K+CF3COOH"	152.95602
"811474"	1224.5775	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M"	0
"978446"	1205.55911	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-H2O-H"	-19.01839
"69969"	815.377724	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M-3H"	-3.021828
"513905"	1223.570224	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M-3H"	-3.021828
"888424"	407.185224	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-3H"	-3.021828
"5906"	1223.570224	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M-2H"	-2.014552
"447657"	1835.858974	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M-2H"	-2.014552
"817119"	611.281474	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-2H"	-2.014552
"81077"	2448.147724	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M-H"	-1.007276
"521730"	3672.725224	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M-H"	-1.007276
"896253"	1223.570224	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-H"	-1.007276
"47828"	2465.174271	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M-2H+NH4"	16.019271
"487751"	3689.751771	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M-2H+NH4"	16.019271
"864953"	1240.596771	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-2H+NH4"	16.019271
"40268"	2470.129666	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M-2H+Na"	20.974666
"480925"	3694.707166	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M-2H+Na"	20.974666
"859821"	1245.552166	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-2H+Na"	20.974666
"1633007"	1245.552166	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Na-2H"	20.974666
"109168"	1241.558563	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M-H+Cl"	33.962126
"541071"	1853.847313	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M-H+Cl"	33.962126
"937502"	629.269813	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-H+Cl"	33.962126
"279340"	2484.124402	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+Cl"	34.969402
"667751"	3708.701902	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+Cl"	34.969402
"1285624"	1259.546902	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Cl"	34.969402
"27814"	2486.103606	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M-2H+K"	36.948606
"467375"	3710.681106	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M-2H+K"	36.948606
"840071"	1261.526106	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-2H+K"	36.948606
"1558093"	1261.526106	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+K-2H"	36.948606
"948166"	1269.575694	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-H+HCOOH"	44.998194
"367475"	2494.153201	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+HCOOH-H"	44.998201
"349171"	2508.168851	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+Hac-H"	59.013851
"1499099"	1283.591351	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Hac-H"	59.013851
"966641"	1291.557651	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-H+NaCOOH"	66.980151
"119921"	1259.546902	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+2Cl"	69.938804
"558387"	1871.835652	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+2Cl"	69.938804
"1030468"	647.258152	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2Cl"	69.938804
"1247860"	1303.496385	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Br"	78.918885
"1312495"	1305.552372	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Cl+HCOOH"	80.974872
"1329995"	1327.534329	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Cl+NaCOOH"	102.956829
"924337"	1337.563086	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M-H+CF3COOH"	112.985586
"1299951"	1373.539764	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Cl+CF3COOH"	148.962264
"1374832"	1189.564824	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H-2H2O"	-35.012676
"1392332"	1207.5748	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H-H2O"	-17.0027
"297122"	2450.162276	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+H"	1.007276
"689178"	3674.739776	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+H"	1.007276
"1366746"	1225.584776	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H"	1.007276
"140364"	1225.584776	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+2H"	2.014552
"579434"	1837.873526	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+2H"	2.014552
"1050058"	613.296026	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2H"	2.014552
"212125"	817.392276	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+3H"	3.021828
"645493"	1225.584776	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+3H"	3.021828
"1163613"	409.199776	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+3H"	3.021828
"424344"	2467.188823	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+NH4"	18.033823
"785859"	3691.766323	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+NH4"	18.033823
"1687133"	1242.611323	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+NH4"	18.033823
"338692"	1234.0980495	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+H+NH4"	19.041099
"730022"	1846.3867995	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+H+NH4"	19.041099
"1483844"	621.8092995	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H+NH4"	19.041099
"403617"	2472.144218	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+Na"	22.989218
"768993"	3696.721718	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+Na"	22.989218
"1615995"	1247.566718	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Na"	22.989218
"317651"	1236.575747	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+H+Na"	23.996494
"710071"	1848.864497	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+H+Na"	23.996494
"1470091"	624.286997	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H+Na"	23.996494
"1064432"	416.52709	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2H+Na"	25.00377
"1266110"	1257.610986	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+CH3OH+H"	33.033486
"385779"	2488.118158	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+K"	38.963158
"748962"	3712.695658	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+K"	38.963158
"1553200"	1263.540658	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+K"	38.963158
"306004"	1244.562717	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+H+K"	39.970434
"699516"	1856.851467	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+H+K"	39.970434
"1454434"	632.273967	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H+K"	39.970434
"245223"	2491.188826	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+ACN+H"	42.033826
"1211735"	1266.611326	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+ACN+H"	42.033826
"1196345"	633.809301	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+ACN+2H"	43.041102
"189582"	2494.12616	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+2Na-H"	44.97116
"628560"	3718.70366	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+2Na-H"	44.97116
"1146678"	1269.54866	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2Na-H"	44.97116
"182144"	1247.566718	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+2Na"	45.978436
"623891"	1859.855468	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+2Na"	45.978436
"1130928"	635.277968	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2Na"	45.978436
"1412744"	423.854404	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H+2Na"	46.985712
"1444988"	1271.590246	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H+HCOOH"	47.012746
"234800"	1252.59974	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+3H2O+2H"	56.04448
"1520797"	1285.64229	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+IsoProp+H"	61.06479
"420484"	1255.553688	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+Na+K"	61.952376
"783912"	1867.842438	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+Na+K"	61.952376
"1678904"	643.264938	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Na+K"	61.952376
"264332"	2513.170768	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+ACN+Na"	64.015768
"1240806"	1288.593268	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+ACN+Na"	64.015768
"1723742"	1288.616793	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+NH4+HCOOH"	64.039293
"1189092"	431.181718	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+3Na"	68.967654
"1658982"	1293.572188	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Na+HCOOH"	68.994688
"168030"	2526.07404	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+2K-H"	76.91904
"611844"	3750.65154	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+2K-H"	76.91904
"1093198"	1301.49654	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2K-H"	76.91904
"150017"	1263.540658	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"2M+2K"	77.926316
"583018"	1875.829408	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"3M+2K"	77.926316
"1070808"	651.251908	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2K"	77.926316
"1106206"	1303.511092	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2K+H"	78.933592
"1343685"	1303.598707	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+DMSO+H"	79.021207
"1012212"	1307.637876	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2ACN+H"	83.060376
"1530338"	1308.631508	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+IsoProp+Na+H"	84.054008
"993506"	654.322576	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+2ACN+2H"	84.067652
"1587440"	1309.546128	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+K+HCOOH"	84.968628
"1420231"	1339.577638	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+H+CF3COOH"	115.000138
"1150520"	674.835851	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+3ACN+2H"	125.094202
"1697876"	1356.604185	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+NH4+CF3COOH"	132.026685
"1647756"	1361.55958	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+Na+CF3COOH"	136.98208
"1577938"	1377.53352	"C17410"	"Platycodin D"	"C57H92O28"	"1224.5775"	"M+K+CF3COOH"	152.95602
"808306"	478.2832	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M"	0
"975515"	459.26481	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-H2O-H"	-19.01839
"63882"	317.848190666667	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M-3H"	-3.021828
"503482"	477.275924	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M-3H"	-3.021828
"881246"	158.420457333333	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-3H"	-3.021828
"1156"	477.275924	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M-2H"	-2.014552
"442301"	716.417524	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M-2H"	-2.014552
"820100"	238.134324	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-2H"	-2.014552
"82279"	955.559124	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M-H"	-1.007276
"519408"	1433.842324	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M-H"	-1.007276
"895995"	477.275924	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-H"	-1.007276
"48909"	972.585671	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M-2H+NH4"	16.019271
"495770"	1450.868871	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M-2H+NH4"	16.019271
"871387"	494.302471	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-2H+NH4"	16.019271
"41475"	977.541066	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M-2H+Na"	20.974666
"485412"	1455.824266	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M-2H+Na"	20.974666
"863213"	499.257866	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-2H+Na"	20.974666
"1632753"	499.257866	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Na-2H"	20.974666
"107458"	495.264263	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M-H+Cl"	33.962126
"544463"	734.405863	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M-H+Cl"	33.962126
"939074"	256.122663	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-H+Cl"	33.962126
"277994"	991.535802	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+Cl"	34.969402
"671145"	1469.819002	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+Cl"	34.969402
"1286587"	513.252602	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Cl"	34.969402
"25010"	993.515006	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M-2H+K"	36.948606
"467485"	1471.798206	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M-2H+K"	36.948606
"844921"	515.231806	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-2H+K"	36.948606
"1565859"	515.231806	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+K-2H"	36.948606
"947181"	523.281394	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-H+HCOOH"	44.998194
"366491"	1001.564601	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+HCOOH-H"	44.998201
"349285"	1015.580251	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+Hac-H"	59.013851
"1498119"	537.297051	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Hac-H"	59.013851
"967847"	545.263351	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-H+NaCOOH"	66.980151
"116756"	513.252602	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+2Cl"	69.938804
"558502"	752.394202	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+2Cl"	69.938804
"1032764"	274.111002	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2Cl"	69.938804
"1249067"	557.202085	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Br"	78.918885
"1317714"	559.258072	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Cl+HCOOH"	80.974872
"1333390"	581.240029	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Cl+NaCOOH"	102.956829
"924816"	591.268786	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M-H+CF3COOH"	112.985586
"1302615"	627.245464	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Cl+CF3COOH"	148.962264
"1379317"	443.270524	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H-2H2O"	-35.012676
"1389158"	461.2805	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H-H2O"	-17.0027
"288850"	957.573676	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+H"	1.007276
"681271"	1435.856876	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+H"	1.007276
"1359805"	479.290476	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H"	1.007276
"138892"	479.290476	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+2H"	2.014552
"577723"	718.432076	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+2H"	2.014552
"1045432"	240.148876	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2H"	2.014552
"211145"	319.862742666667	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+3H"	3.021828
"644993"	479.290476	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+3H"	3.021828
"1169930"	160.435009333333	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+3H"	3.021828
"428097"	974.600223	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+NH4"	18.033823
"785922"	1452.883423	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+NH4"	18.033823
"1682018"	496.317023	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+NH4"	18.033823
"337716"	487.8037495	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+H+NH4"	19.041099
"733056"	726.9453495	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+H+NH4"	19.041099
"1489425"	248.6621495	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H+NH4"	19.041099
"404463"	979.555618	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+Na"	22.989218
"768375"	1457.838818	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+Na"	22.989218
"1613919"	501.272418	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Na"	22.989218
"322865"	490.281447	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+H+Na"	23.996494
"717475"	729.423047	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+H+Na"	23.996494
"1471297"	251.139847	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H+Na"	23.996494
"1063449"	167.762323333333	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2H+Na"	25.00377
"1269502"	511.316686	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+CH3OH+H"	33.033486
"391966"	995.529558	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+K"	38.963158
"752961"	1473.812758	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+K"	38.963158
"1548936"	517.246358	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+K"	38.963158
"307209"	498.268417	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+H+K"	39.970434
"693434"	737.410017	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+H+K"	39.970434
"1451263"	259.126817	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H+K"	39.970434
"242052"	998.600226	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+ACN+H"	42.033826
"1210752"	520.317026	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+ACN+H"	42.033826
"1200470"	260.662151	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+ACN+2H"	43.041102
"190058"	1001.53756	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+2Na-H"	44.97116
"642635"	1479.82076	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+2Na-H"	44.97116
"1146384"	523.25436	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2Na-H"	44.97116
"187116"	501.272418	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+2Na"	45.978436
"627047"	740.414018	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+2Na"	45.978436
"1130183"	262.130818	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2Na"	45.978436
"1412128"	175.089637333333	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H+2Na"	46.985712
"1444122"	525.295946	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H+HCOOH"	47.012746
"234548"	506.30544	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+3H2O+2H"	56.04448
"1517627"	539.34799	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+IsoProp+H"	61.06479
"421687"	509.259388	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+Na+K"	61.952376
"781593"	748.400988	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+Na+K"	61.952376
"1677923"	270.117788	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Na+K"	61.952376
"263350"	1020.582168	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+ACN+Na"	64.015768
"1238972"	542.298968	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+ACN+Na"	64.015768
"1725309"	542.322493	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+NH4+HCOOH"	64.039293
"1189934"	182.416951333333	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+3Na"	68.967654
"1658002"	547.277888	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Na+HCOOH"	68.994688
"164862"	1033.48544	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+2K-H"	76.91904
"604423"	1511.76864	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+2K-H"	76.91904
"1088936"	555.20224	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2K-H"	76.91904
"147941"	517.246358	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"2M+2K"	77.926316
"586408"	756.387958	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"3M+2K"	77.926316
"1069826"	278.104758	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2K"	77.926316
"1104129"	557.216792	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2K+H"	78.933592
"1341606"	557.304407	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+DMSO+H"	79.021207
"1010133"	561.343576	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2ACN+H"	83.060376
"1530448"	562.337208	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+IsoProp+Na+H"	84.054008
"992524"	281.175426	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+2ACN+2H"	84.067652
"1591400"	563.251828	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+K+HCOOH"	84.968628
"1418152"	593.283338	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+H+CF3COOH"	115.000138
"1150629"	301.688701	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+3ACN+2H"	125.094202
"1710030"	610.309885	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+NH4+CF3COOH"	132.026685
"1647866"	615.26528	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+Na+CF3COOH"	136.98208
"1578048"	631.23922	"C17411"	"o-Methylpsychotrine;12-Dehydroemetin"	"C29H38N2O4"	"478.2832"	"M+K+CF3COOH"	152.95602
"808414"	288.0998	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M"	0
"975507"	269.08141	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-H2O-H"	-19.01839
"63992"	191.059257333333	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M-3H"	-3.021828
"506468"	287.092524	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M-3H"	-3.021828
"880992"	95.0259906666667	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-3H"	-3.021828
"2846"	287.092524	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M-2H"	-2.014552
"444597"	431.142424	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M-2H"	-2.014552
"818266"	143.042624	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-2H"	-2.014552
"82389"	575.192324	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M-H"	-1.007276
"519398"	863.292124	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M-H"	-1.007276
"899755"	287.092524	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-H"	-1.007276
"48291"	592.218871	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M-2H+NH4"	16.019271
"496975"	880.318671	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M-2H+NH4"	16.019271
"877334"	304.119071	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-2H+NH4"	16.019271
"45963"	597.174266	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M-2H+Na"	20.974666
"485522"	885.274066	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M-2H+Na"	20.974666
"863208"	309.074466	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-2H+Na"	20.974666
"1632862"	309.074466	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Na-2H"	20.974666
"108295"	305.080863	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M-H+Cl"	33.962126
"548834"	449.130763	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M-H+Cl"	33.962126
"939183"	161.030963	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-H+Cl"	33.962126
"277374"	611.169002	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+Cl"	34.969402
"669067"	899.268802	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+Cl"	34.969402
"1286939"	323.069202	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Cl"	34.969402
"28765"	613.148206	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M-2H+K"	36.948606
"465771"	901.248006	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M-2H+K"	36.948606
"845395"	325.048406	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-2H+K"	36.948606
"1562690"	325.048406	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+K-2H"	36.948606
"947293"	333.097994	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-H+HCOOH"	44.998194
"365509"	621.197801	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+HCOOH-H"	44.998201
"350488"	635.213451	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+Hac-H"	59.013851
"1501508"	347.113651	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Hac-H"	59.013851
"969048"	355.079951	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-H+NaCOOH"	66.980151
"119782"	323.069202	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+2Cl"	69.938804
"563352"	467.119102	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+2Cl"	69.938804
"1029961"	179.019302	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2Cl"	69.938804
"1256104"	367.018685	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Br"	78.918885
"1316366"	369.074672	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Cl+HCOOH"	80.974872
"1332407"	391.056629	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Cl+NaCOOH"	102.956829
"926788"	401.085386	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M-H+CF3COOH"	112.985586
"1302360"	437.062064	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Cl+CF3COOH"	148.962264
"1381615"	253.087124	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H-2H2O"	-35.012676
"1394736"	271.0971	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H-H2O"	-17.0027
"293332"	577.206876	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+H"	1.007276
"690491"	865.306676	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+H"	1.007276
"1362829"	289.107076	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H"	1.007276
"139000"	289.107076	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+2H"	2.014552
"579291"	433.156976	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+2H"	2.014552
"1045542"	145.057176	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2H"	2.014552
"212349"	193.073809333333	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+3H"	3.021828
"644300"	289.107076	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+3H"	3.021828
"1174413"	97.0405426666667	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+3H"	3.021828
"427843"	594.233423	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+NH4"	18.033823
"785784"	882.333223	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+NH4"	18.033823
"1681761"	306.133623	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+NH4"	18.033823
"337826"	297.6203495	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+H+NH4"	19.041099
"736809"	441.6702495	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+H+NH4"	19.041099
"1491721"	153.5704495	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H+NH4"	19.041099
"404936"	599.188818	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+Na"	22.989218
"769824"	887.288618	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+Na"	22.989218
"1614029"	311.089018	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Na"	22.989218
"324068"	300.098047	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+H+Na"	23.996494
"718680"	444.147947	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+H+Na"	23.996494
"1473591"	156.048147	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H+Na"	23.996494
"1066718"	104.367856666667	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2H+Na"	25.00377
"1272166"	321.133286	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+CH3OH+H"	33.033486
"392080"	615.162758	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+K"	38.963158
"753557"	903.262558	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+K"	38.963158
"1550139"	327.062958	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+K"	38.963158
"310600"	308.085017	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+H+K"	39.970434
"696461"	452.134917	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+H+K"	39.970434
"1446999"	164.035117	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H+K"	39.970434
"237788"	618.233426	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+ACN+H"	42.033826
"1210371"	330.133626	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+ACN+H"	42.033826
"1200216"	165.570451	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+ACN+2H"	43.041102
"188826"	621.17076	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+2Na-H"	44.97116
"643356"	909.27056	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+2Na-H"	44.97116
"1146010"	333.07096	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2Na-H"	44.97116
"186503"	311.089018	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+2Na"	45.978436
"627037"	455.138918	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+2Na"	45.978436
"1130422"	167.039118	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2Na"	45.978436
"1413945"	111.695170666667	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H+2Na"	46.985712
"1444238"	335.112546	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H+HCOOH"	47.012746
"231862"	316.12204	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+3H2O+2H"	56.04448
"1519924"	349.16459	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+IsoProp+H"	61.06479
"422894"	319.075988	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+Na+K"	61.952376
"783886"	463.125888	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+Na+K"	61.952376
"1680097"	175.026088	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Na+K"	61.952376
"265890"	640.215368	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+ACN+Na"	64.015768
"1239085"	352.115568	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+ACN+Na"	64.015768
"1727000"	352.139093	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+NH4+HCOOH"	64.039293
"1191139"	119.022484666667	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+3Na"	68.967654
"1658112"	357.094488	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Na+HCOOH"	68.994688
"168252"	653.11864	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+2K-H"	76.91904
"606721"	941.21844	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+2K-H"	76.91904
"1093785"	365.01884	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2K-H"	76.91904
"149145"	327.062958	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"2M+2K"	77.926316
"586518"	471.112858	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"3M+2K"	77.926316
"1070057"	183.013058	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2K"	77.926316
"1103147"	367.033392	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2K+H"	78.933592
"1338438"	367.121007	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+DMSO+H"	79.021207
"1008061"	371.160176	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2ACN+H"	83.060376
"1528372"	372.153808	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+IsoProp+Na+H"	84.054008
"990809"	186.083726	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+2ACN+2H"	84.067652
"1587620"	373.068428	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+K+HCOOH"	84.968628
"1416075"	403.099938	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+H+CF3COOH"	115.000138
"1148552"	206.597001	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+3ACN+2H"	125.094202
"1710137"	420.126485	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+NH4+CF3COOH"	132.026685
"1646883"	425.08188	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+Na+CF3COOH"	136.98208
"1578158"	441.05582	"C17412"	"Shikonin"	"C16H16O5"	"288.0998"	"M+K+CF3COOH"	152.95602
"808524"	330.1103	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M"	0
"975496"	311.09191	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-H2O-H"	-19.01839
"65924"	219.066257333333	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M-3H"	-3.021828
"507671"	329.103024	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M-3H"	-3.021828
"882922"	109.029490666667	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-3H"	-3.021828
"2956"	329.103024	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M-2H"	-2.014552
"445800"	494.158174	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M-2H"	-2.014552
"821413"	164.047874	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-2H"	-2.014552
"80190"	659.213324	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M-H"	-1.007276
"522060"	989.323624	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M-H"	-1.007276
"896823"	329.103024	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-H"	-1.007276
"48894"	676.239871	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M-2H+NH4"	16.019271
"489428"	1006.350171	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M-2H+NH4"	16.019271
"870513"	346.129571	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-2H+NH4"	16.019271
"41696"	681.195266	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M-2H+Na"	20.974666
"482349"	1011.305566	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M-2H+Na"	20.974666
"860517"	351.084966	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-2H+Na"	20.974666
"1630416"	351.084966	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Na-2H"	20.974666
"106944"	347.091363	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M-H+Cl"	33.962126
"549548"	512.146513	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M-H+Cl"	33.962126
"939657"	182.036213	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-H+Cl"	33.962126
"277120"	695.190002	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+Cl"	34.969402
"669541"	1025.300302	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+Cl"	34.969402
"1287413"	365.079702	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Cl"	34.969402
"28876"	697.169206	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M-2H+K"	36.948606
"465881"	1027.279506	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M-2H+K"	36.948606
"846598"	367.058906	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-2H+K"	36.948606
"1563893"	367.058906	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+K-2H"	36.948606
"951775"	375.108494	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-H+HCOOH"	44.998194
"367805"	705.218801	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+HCOOH-H"	44.998201
"349868"	719.234451	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+Hac-H"	59.013851
"1501253"	389.124151	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Hac-H"	59.013851
"965878"	397.090451	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-H+NaCOOH"	66.980151
"114786"	365.079702	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+2Cl"	69.938804
"558719"	530.134852	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+2Cl"	69.938804
"1028613"	200.024552	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2Cl"	69.938804
"1249287"	409.029185	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Br"	78.918885
"1313924"	411.085172	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Cl+HCOOH"	80.974872
"1332880"	433.067129	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Cl+NaCOOH"	102.956829
"925762"	443.095886	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M-H+CF3COOH"	112.985586
"1301739"	479.072564	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Cl+CF3COOH"	148.962264
"1379536"	295.097624	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H-2H2O"	-35.012676
"1389377"	313.1076	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H-H2O"	-17.0027
"286882"	661.227876	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+H"	1.007276
"680395"	991.338176	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+H"	1.007276
"1356743"	331.117576	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H"	1.007276
"132912"	331.117576	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+2H"	2.014552
"572474"	496.172726	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+2H"	2.014552
"1046745"	166.062426	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2H"	2.014552
"212458"	221.080809333333	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+3H"	3.021828
"644729"	331.117576	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+3H"	3.021828
"1172337"	111.044042666667	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+3H"	3.021828
"427953"	678.254423	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+NH4"	18.033823
"786394"	1008.364723	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+NH4"	18.033823
"1682112"	348.144123	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+NH4"	18.033823
"337936"	339.6308495	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+H+NH4"	19.041099
"736555"	504.6859995	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+H+NH4"	19.041099
"1492556"	174.5756995	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H+NH4"	19.041099
"405046"	683.209818	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+Na"	22.989218
"769731"	1013.320118	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+Na"	22.989218
"1614139"	353.099518	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Na"	22.989218
"324178"	342.108547	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+H+Na"	23.996494
"719882"	507.163697	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+H+Na"	23.996494
"1472608"	177.053397	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H+Na"	23.996494
"1062574"	118.371356666667	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2H+Na"	25.00377
"1270814"	363.143786	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+CH3OH+H"	33.033486
"389389"	699.183758	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+K"	38.963158
"751480"	1029.294058	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+K"	38.963158
"1553527"	369.073458	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+K"	38.963158
"305242"	350.095517	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+H+K"	39.970434
"693653"	515.150667	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+H+K"	39.970434
"1450388"	185.040367	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H+K"	39.970434
"236438"	702.254426	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+ACN+H"	42.033826
"1210962"	372.144126	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+ACN+H"	42.033826
"1201055"	186.575701	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+ACN+2H"	43.041102
"189424"	705.19176	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+2Na-H"	44.97116
"643221"	1035.30206	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+2Na-H"	44.97116
"1146363"	375.08146	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2Na-H"	44.97116
"186979"	353.099518	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+2Na"	45.978436
"627999"	518.154668	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+2Na"	45.978436
"1130738"	188.044368	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2Na"	45.978436
"1413569"	125.698670666667	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H+2Na"	46.985712
"1444223"	377.123046	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H+HCOOH"	47.012746
"231972"	358.13254	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+3H2O+2H"	56.04448
"1518941"	391.17509	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+IsoProp+H"	61.06479
"423368"	361.086488	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+Na+K"	61.952376
"784850"	526.141638	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+Na+K"	61.952376
"1679600"	196.031338	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Na+K"	61.952376
"266000"	724.236368	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+ACN+Na"	64.015768
"1238466"	394.126068	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+ACN+Na"	64.015768
"1726256"	394.149593	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+NH4+HCOOH"	64.039293
"1190155"	133.025984666667	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+3Na"	68.967654
"1661502"	399.104988	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Na+HCOOH"	68.994688
"171521"	737.13964	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+2K-H"	76.91904
"606831"	1067.24994	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+2K-H"	76.91904
"1086241"	407.02934	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2K-H"	76.91904
"144151"	369.073458	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"2M+2K"	77.926316
"591001"	534.128608	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"3M+2K"	77.926316
"1070047"	204.018308	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2K"	77.926316
"1100819"	409.043892	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2K+H"	78.933592
"1336232"	409.131507	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+DMSO+H"	79.021207
"1006468"	413.170676	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2ACN+H"	83.060376
"1528481"	414.164308	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+IsoProp+Na+H"	84.054008
"992742"	207.088976	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+2ACN+2H"	84.067652
"1588702"	415.078928	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+K+HCOOH"	84.968628
"1414967"	445.110438	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+H+CF3COOH"	115.000138
"1147567"	227.602251	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+3ACN+2H"	125.094202
"1710247"	462.136985	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+NH4+CF3COOH"	132.026685
"1648815"	467.09238	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+Na+CF3COOH"	136.98208
"1578268"	483.06632	"C17413"	"Acetylshikonin"	"C18H18O6"	"330.1103"	"M+K+CF3COOH"	152.95602
"808634"	358.1416	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M"	0
"977062"	339.12321	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"71503"	237.753790666667	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"509970"	357.134324	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"884491"	118.373257333333	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"6347"	357.134324	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"448099"	536.205124	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"826991"	178.063524	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"88079"	715.275924	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"523266"	1073.417524	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"897785"	357.134324	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"48883"	732.302471	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"489538"	1090.444071	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"870623"	374.160871	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"43994"	737.257866	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"481365"	1095.399466	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"859897"	379.116266	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1633851"	379.116266	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"104137"	375.122663	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"549661"	554.193463	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"942569"	196.051863	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"282460"	751.252602	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"674027"	1109.394202	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1284608"	393.111002	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"26799"	753.231806	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"470005"	1111.373406	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"846712"	395.090206	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1562909"	395.090206	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"947513"	403.139794	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"371199"	761.281401	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"356177"	775.297051	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1497353"	417.155451	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"965987"	425.121751	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"114895"	393.111002	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"557741"	572.181802	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1034197"	214.040202	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1252318"	437.060485	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1318775"	439.116472	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1332628"	461.098429	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"926237"	471.127186	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1303673"	507.103864	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1379647"	323.128924	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1392768"	341.1389	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"293553"	717.290476	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"682691"	1075.432076	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1364509"	359.148876	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"135210"	359.148876	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"578784"	538.219676	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1046855"	180.078076	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"212567"	239.768342666667	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"646660"	359.148876	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1172446"	120.387809333333	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"426969"	734.317023	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"785690"	1092.458623	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1682102"	376.175423	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"342421"	367.6621495	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"735936"	546.7329495	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1491942"	188.5913495	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"406249"	739.272418	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"767246"	1097.414018	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1616073"	381.130818	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"326479"	370.139847	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"719992"	549.210647	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1472719"	191.069047	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1061591"	127.715123333333	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1265458"	391.175086	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"387313"	755.246358	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"745030"	1113.387958	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1553273"	397.104758	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"299150"	378.126817	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"692665"	557.197617	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1446123"	199.056017	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"236915"	758.317026	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1210346"	400.175426	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1195571"	200.591351	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"189657"	761.25436	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"643942"	1119.39596	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1146478"	403.11276	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"188221"	381.130818	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"627628"	560.201618	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1130763"	202.060018	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1414005"	135.042437333333	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1445064"	405.154346	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"233905"	386.16384	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1523924"	419.20639	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"422751"	389.117788	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"784963"	568.188588	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1681137"	210.046988	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"265868"	780.298968	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1239669"	422.157368	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1724182"	422.180893	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1189172"	142.369751333333	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1662704"	427.136288	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"168471"	793.20224	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"606939"	1151.34384	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1091453"	435.06064	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"149364"	397.104758	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"590017"	576.175558	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1071251"	218.033958	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1101055"	437.075192	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1339752"	437.162807	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1010468"	441.201976	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1528592"	442.195608	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"992853"	221.104626	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1588204"	443.110228	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1415929"	473.141738	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1150958"	241.617901	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1711450"	490.168285	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1649168"	495.12368	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1581658"	511.09762	"C17414"	"Isobutylshikonin;Isobutyrylshikonin"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"812024"	370.1416	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M"	0
"982277"	351.12321	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-H2O-H"	-19.01839
"74893"	245.753790666667	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M-3H"	-3.021828
"518491"	369.134324	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M-3H"	-3.021828
"895301"	122.373257333333	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-3H"	-3.021828
"15089"	369.134324	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M-2H"	-2.014552
"454403"	554.205124	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M-2H"	-2.014552
"827834"	184.063524	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-2H"	-2.014552
"84909"	739.275924	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M-H"	-1.007276
"530303"	1109.417524	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M-H"	-1.007276
"901176"	369.134324	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-H"	-1.007276
"51177"	756.302471	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M-2H+NH4"	16.019271
"489648"	1126.444071	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M-2H+NH4"	16.019271
"874013"	386.160871	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-2H+NH4"	16.019271
"46291"	761.257866	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M-2H+Na"	20.974666
"482934"	1131.399466	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M-2H+Na"	20.974666
"860373"	391.116266	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-2H+Na"	20.974666
"1632824"	391.116266	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Na-2H"	20.974666
"104976"	387.122663	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M-H+Cl"	33.962126
"549365"	572.193463	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M-H+Cl"	33.962126
"941705"	202.051863	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-H+Cl"	33.962126
"282449"	775.252602	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+Cl"	34.969402
"674502"	1145.394202	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+Cl"	34.969402
"1282530"	405.111002	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Cl"	34.969402
"26908"	777.231806	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M-2H+K"	36.948606
"466835"	1147.373406	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M-2H+K"	36.948606
"846459"	407.090206	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-2H+K"	36.948606
"1561927"	407.090206	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+K-2H"	36.948606
"946165"	415.139794	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-H+HCOOH"	44.998194
"365841"	785.281401	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+HCOOH-H"	44.998201
"350819"	799.297051	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+Hac-H"	59.013851
"1496370"	429.155451	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Hac-H"	59.013851
"966097"	437.121751	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-H+NaCOOH"	66.980151
"115006"	405.111002	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+2Cl"	69.938804
"557847"	590.181802	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+2Cl"	69.938804
"1032846"	220.040202	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2Cl"	69.938804
"1245134"	449.060485	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Br"	78.918885
"1314144"	451.116472	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Cl+HCOOH"	80.974872
"1332736"	473.098429	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Cl+NaCOOH"	102.956829
"923432"	483.127186	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M-H+CF3COOH"	112.985586
"1302689"	519.103864	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Cl+CF3COOH"	148.962264
"1377574"	335.128924	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H-2H2O"	-35.012676
"1386321"	353.1389	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H-H2O"	-17.0027
"287102"	741.290476	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+H"	1.007276
"682803"	1111.432076	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+H"	1.007276
"1363526"	371.148876	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H"	1.007276
"134227"	371.148876	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+2H"	2.014552
"572694"	556.219676	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+2H"	2.014552
"1045872"	186.078076	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2H"	2.014552
"211584"	247.768342666667	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+3H"	3.021828
"646770"	371.148876	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+3H"	3.021828
"1170369"	124.387809333333	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+3H"	3.021828
"424400"	758.317023	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+NH4"	18.033823
"785843"	1128.458623	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+NH4"	18.033823
"1681376"	388.175423	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+NH4"	18.033823
"343624"	379.6621495	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+H+NH4"	19.041099
"738112"	564.7329495	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+H+NH4"	19.041099
"1488772"	194.5913495	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H+NH4"	19.041099
"406359"	763.272418	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+Na"	22.989218
"767358"	1133.414018	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+Na"	22.989218
"1615454"	393.130818	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Na"	22.989218
"324402"	382.139847	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+H+Na"	23.996494
"719009"	567.210647	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+H+Na"	23.996494
"1470641"	197.069047	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H+Na"	23.996494
"1060610"	131.715123333333	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2H+Na"	25.00377
"1266660"	403.175086	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+CH3OH+H"	33.033486
"387423"	779.246358	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+K"	38.963158
"744047"	1149.387958	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+K"	38.963158
"1550469"	409.104758	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+K"	38.963158
"299628"	390.126817	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+H+K"	39.970434
"694237"	575.197617	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+H+K"	39.970434
"1446962"	205.056017	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H+K"	39.970434
"237147"	782.317026	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+ACN+H"	42.033826
"1211552"	412.175426	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+ACN+H"	42.033826
"1196170"	206.591351	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+ACN+2H"	43.041102
"191955"	785.25436	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+2Na-H"	44.97116
"643938"	1155.39596	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+2Na-H"	44.97116
"1146754"	415.11276	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2Na-H"	44.97116
"186359"	393.130818	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+2Na"	45.978436
"628229"	578.201618	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+2Na"	45.978436
"1131086"	208.060018	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2Na"	45.978436
"1414043"	139.042437333333	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H+2Na"	46.985712
"1445171"	417.154346	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H+HCOOH"	47.012746
"235692"	398.16384	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+3H2O+2H"	56.04448
"1524014"	431.20639	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+IsoProp+H"	61.06479
"423222"	401.117788	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+Na+K"	61.952376
"785572"	586.188588	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+Na+K"	61.952376
"1681161"	216.046988	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Na+K"	61.952376
"263790"	804.298968	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+ACN+Na"	64.015768
"1238320"	434.157368	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+ACN+Na"	64.015768
"1726115"	434.180893	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+NH4+HCOOH"	64.039293
"1191468"	146.369751333333	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+3Na"	68.967654
"1663907"	439.136288	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Na+HCOOH"	68.994688
"168581"	817.20224	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+2K-H"	76.91904
"603769"	1187.34384	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+2K-H"	76.91904
"1092656"	447.06064	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2K-H"	76.91904
"147288"	409.104758	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"2M+2K"	77.926316
"591220"	594.175558	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"3M+2K"	77.926316
"1072455"	224.033958	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2K"	77.926316
"1103476"	449.075192	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2K+H"	78.933592
"1343142"	449.162807	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+DMSO+H"	79.021207
"1013858"	453.201976	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2ACN+H"	83.060376
"1530889"	454.195608	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+IsoProp+Na+H"	84.054008
"997337"	227.104626	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+2ACN+2H"	84.067652
"1589653"	455.110228	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+K+HCOOH"	84.968628
"1417498"	485.141738	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+H+CF3COOH"	115.000138
"1154348"	247.617901	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+3ACN+2H"	125.094202
"1699522"	502.168285	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+NH4+CF3COOH"	132.026685
"1640649"	507.12368	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+Na+CF3COOH"	136.98208
"1578488"	523.09762	"C17415"	"betabeta-Dimethylacrylshikonin;Dmask"	"C21H22O6"	"370.1416"	"M+K+CF3COOH"	152.95602
"812134"	300.0998	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M"	0
"982387"	281.08141	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"69535"	199.059257333333	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"511283"	299.092524	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"890179"	99.0259906666667	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"13984"	299.092524	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"452692"	449.142424	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"825028"	149.042624	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"87935"	599.192324	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"530411"	899.292124	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"898005"	299.092524	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"48493"	616.218871	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"490851"	916.318671	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"875218"	316.119071	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"45674"	621.174266	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"484138"	921.274066	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"861577"	321.074466	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1632818"	321.074466	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"103993"	317.080863	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"548665"	467.130763	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"938897"	167.030963	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"280615"	635.169002	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"670603"	935.268802	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1279724"	335.069202	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"26290"	637.148206	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"464029"	937.248006	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"842560"	337.048406	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1564221"	337.048406	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"947731"	345.097994	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"364492"	645.197801	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"350929"	659.213451	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1495385"	359.113651	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"961103"	367.079951	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"115117"	335.069202	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"556865"	485.119102	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1032592"	185.019302	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1247431"	379.018685	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1317170"	381.074672	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1329567"	403.056629	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"924999"	413.085386	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1302799"	449.062064	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1378778"	265.087124	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1392990"	283.0971	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"285025"	601.206876	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"686193"	901.306676	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1362543"	301.107076	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"136525"	301.107076	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"576086"	451.156976	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1042700"	151.057176	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"211695"	201.073809333333	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"645787"	301.107076	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1165739"	101.040542666667	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"424390"	618.233423	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"785664"	918.333223	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1682082"	318.133623	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"331336"	309.6203495	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"737005"	459.6702495	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1492285"	159.5704495	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"406469"	623.188818	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"767832"	923.288618	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1616903"	323.089018	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"325241"	312.098047	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"719122"	462.147947	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1474033"	162.048147	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1061813"	108.367856666667	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1265679"	333.133286	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"389358"	639.162758	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"745250"	939.262558	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1548393"	339.062958	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"299859"	320.085017	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"693983"	470.134917	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1446017"	170.035117	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"238228"	642.233426	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1211179"	342.133626	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1195916"	171.570451	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"189878"	645.17076	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"644190"	945.27056	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1147040"	345.07096	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"188410"	323.089018	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"628460"	473.138918	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1131262"	173.039118	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1413940"	115.695170666667	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1444066"	347.112546	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"233031"	328.12204	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1522189"	361.16459	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"416772"	331.075988	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"782142"	481.125888	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1677379"	181.026088	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"263535"	664.215368	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1238066"	364.115568	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1725496"	364.139093	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1190486"	123.022484666667	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1662924"	369.094488	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"167599"	677.11864	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"604974"	977.21844	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1091673"	377.01884	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"144118"	339.062958	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"591331"	489.112858	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1075845"	189.013058	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1106867"	379.033392	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1345439"	379.121007	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1010688"	383.160176	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1529905"	384.153808	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"997447"	192.083726	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1590856"	385.068428	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1416515"	415.099938	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1153365"	212.597001	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1698539"	432.126485	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1640759"	437.08188	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1575318"	453.05582	"C17416"	"Astrapterocarpan;(6aR11aR)-3-Hydroxy-910-dimethoxypterocarpan"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"816381"	1588.6933	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M"	0
"982498"	1569.67491	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-H2O-H"	-19.01839
"75113"	1058.12159066667	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M-3H"	-3.021828
"513581"	1587.686024	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M-3H"	-3.021828
"893573"	528.557157333333	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-3H"	-3.021828
"15387"	1587.686024	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M-2H"	-2.014552
"449523"	2382.032674	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M-2H"	-2.014552
"825138"	793.339374	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-2H"	-2.014552
"89139"	3176.379324	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M-H"	-1.007276
"530886"	4765.072624	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M-H"	-1.007276
"897264"	1587.686024	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-H"	-1.007276
"50305"	3193.405871	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M-2H+NH4"	16.019271
"489868"	4782.099171	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M-2H+NH4"	16.019271
"878493"	1604.712571	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-2H+NH4"	16.019271
"46516"	3198.361266	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M-2H+Na"	20.974666
"484250"	4787.054566	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M-2H+Na"	20.974666
"863883"	1609.667966	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-2H+Na"	20.974666
"1633900"	1609.667966	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Na-2H"	20.974666
"109457"	1605.674363	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M-H+Cl"	33.962126
"549019"	2400.021013	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M-H+Cl"	33.962126
"941562"	811.327713	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-H+Cl"	33.962126
"281454"	3212.356002	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+Cl"	34.969402
"674486"	4801.049302	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+Cl"	34.969402
"1285302"	1623.662702	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Cl"	34.969402
"27494"	3214.335206	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M-2H+K"	36.948606
"466325"	4803.028506	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M-2H+K"	36.948606
"841941"	1625.641906	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-2H+K"	36.948606
"1564330"	1625.641906	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+K-2H"	36.948606
"948571"	1633.691494	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-H+HCOOH"	44.998194
"370437"	3222.384801	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+HCOOH-H"	44.998201
"356145"	3236.400451	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+Hac-H"	59.013851
"1502789"	1647.707151	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Hac-H"	59.013851
"961946"	1655.673451	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-H+NaCOOH"	66.980151
"122884"	1623.662702	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+2Cl"	69.938804
"560622"	2418.009352	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+2Cl"	69.938804
"1033431"	829.316052	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2Cl"	69.938804
"1253738"	1667.612185	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Br"	78.918885
"1318862"	1669.668172	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Cl+HCOOH"	80.974872
"1333686"	1691.650129	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Cl+NaCOOH"	102.956829
"927010"	1701.678886	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M-H+CF3COOH"	112.985586
"1304050"	1737.655564	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Cl+CF3COOH"	148.962264
"1381925"	1553.680624	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H-2H2O"	-35.012676
"1394193"	1571.6906	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H-H2O"	-17.0027
"285135"	3178.393876	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+H"	1.007276
"687398"	4767.087176	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+H"	1.007276
"1359373"	1589.700576	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H"	1.007276
"133355"	1589.700576	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+2H"	2.014552
"580330"	2384.047226	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+2H"	2.014552
"1048279"	795.353926	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2H"	2.014552
"211805"	1060.13614266667	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+3H"	3.021828
"647356"	1589.700576	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+3H"	3.021828
"1170590"	530.571709333333	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+3H"	3.021828
"429488"	3195.420423	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+NH4"	18.033823
"788660"	4784.113723	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+NH4"	18.033823
"1686814"	1606.727123	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+NH4"	18.033823
"345349"	1598.2138495	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+H+NH4"	19.041099
"737728"	2392.5604995	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+H+NH4"	19.041099
"1492036"	803.8671995	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H+NH4"	19.041099
"406580"	3200.375818	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+Na"	22.989218
"767575"	4789.069118	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+Na"	22.989218
"1617135"	1611.682518	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Na"	22.989218
"328270"	1600.691547	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+H+Na"	23.996494
"720330"	2395.038197	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+H+Na"	23.996494
"1475604"	806.344897	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H+Na"	23.996494
"1065203"	537.899023333333	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2H+Na"	25.00377
"1269070"	1621.726786	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+CH3OH+H"	33.033486
"387644"	3216.349758	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+K"	38.963158
"748640"	4805.043058	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+K"	38.963158
"1549599"	1627.656458	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+K"	38.963158
"300942"	1608.678517	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+H+K"	39.970434
"696279"	2403.025167	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+H+K"	39.970434
"1447550"	814.331867	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H+K"	39.970434
"236637"	3219.420426	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+ACN+H"	42.033826
"1211773"	1630.727126	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+ACN+H"	42.033826
"1204776"	815.867201	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+ACN+2H"	43.041102
"193274"	3222.35776	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+2Na-H"	44.97116
"643292"	4811.05106	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+2Na-H"	44.97116
"1145823"	1633.66446	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2Na-H"	44.97116
"187778"	1611.682518	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+2Na"	45.978436
"628076"	2406.029168	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+2Na"	45.978436
"1130365"	817.335868	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2Na"	45.978436
"1413765"	545.226337333333	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H+2Na"	46.985712
"1441994"	1635.706046	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H+HCOOH"	47.012746
"230231"	1616.71554	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+3H2O+2H"	56.04448
"1521574"	1649.75809	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+IsoProp+H"	61.06479
"419435"	1619.669488	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+Na+K"	61.952376
"780794"	2414.016138	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+Na+K"	61.952376
"1680408"	825.322838	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Na+K"	61.952376
"260728"	3241.402368	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+ACN+Na"	64.015768
"1234897"	1652.709068	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+ACN+Na"	64.015768
"1722692"	1652.732593	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+NH4+HCOOH"	64.039293
"1188775"	552.553651333333	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+3Na"	68.967654
"1661214"	1657.687988	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Na+HCOOH"	68.994688
"167710"	3254.30564	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+2K-H"	76.91904
"606542"	4842.99894	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+2K-H"	76.91904
"1094335"	1665.61234	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2K-H"	76.91904
"147508"	1627.656458	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"2M+2K"	77.926316
"591080"	2422.003108	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"3M+2K"	77.926316
"1074860"	833.309808	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2K"	77.926316
"1106977"	1667.626892	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2K+H"	78.933592
"1345187"	1667.714507	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+DMSO+H"	79.021207
"1010798"	1671.753676	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2ACN+H"	83.060376
"1528921"	1672.747308	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+IsoProp+Na+H"	84.054008
"997557"	836.380476	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+2ACN+2H"	84.067652
"1590966"	1673.661928	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+K+HCOOH"	84.968628
"1416625"	1703.693438	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+H+CF3COOH"	115.000138
"1153475"	856.893751	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+3ACN+2H"	125.094202
"1697921"	1720.719985	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+NH4+CF3COOH"	132.026685
"1648893"	1725.67538	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+Na+CF3COOH"	136.98208
"1576521"	1741.64932	"C17417"	"Onjisaponin F;Polygalasaponin XXXI"	"C75H112O36"	"1588.6933"	"M+K+CF3COOH"	152.95602
"809074"	234.2096	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M"	0
"980421"	215.19121	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-H2O-H"	-19.01839
"68663"	155.132457333333	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M-3H"	-3.021828
"504941"	233.202324	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M-3H"	-3.021828
"881653"	77.0625906666667	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-3H"	-3.021828
"1564"	233.202324	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M-2H"	-2.014552
"443070"	350.307124	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M-2H"	-2.014552
"820142"	116.097524	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-2H"	-2.014552
"81228"	467.411924	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M-H"	-1.007276
"524801"	701.621524	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M-H"	-1.007276
"896524"	233.202324	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-H"	-1.007276
"52605"	484.438471	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M-2H+NH4"	16.019271
"495446"	718.648071	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M-2H+NH4"	16.019271
"878736"	250.228871	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-2H+NH4"	16.019271
"46271"	489.393866	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M-2H+Na"	20.974666
"485465"	723.603466	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M-2H+Na"	20.974666
"862536"	255.184266	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-2H+Na"	20.974666
"1633734"	255.184266	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Na-2H"	20.974666
"109089"	251.190663	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M-H+Cl"	33.962126
"547794"	368.295463	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M-H+Cl"	33.962126
"940703"	134.085863	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-H+Cl"	33.962126
"281566"	503.388602	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+Cl"	34.969402
"673988"	737.598202	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+Cl"	34.969402
"1287115"	269.179002	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Cl"	34.969402
"27606"	505.367806	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M-2H+K"	36.948606
"467529"	739.577406	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M-2H+K"	36.948606
"845329"	271.158206	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-2H+K"	36.948606
"1562257"	271.158206	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+K-2H"	36.948606
"947957"	279.207794	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-H+HCOOH"	44.998194
"372370"	513.417401	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+HCOOH-H"	44.998201
"356983"	527.433051	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+Hac-H"	59.013851
"1502170"	293.223451	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Hac-H"	59.013851
"969718"	301.189751	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-H+NaCOOH"	66.980151
"123725"	269.179002	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+2Cl"	69.938804
"561462"	386.283802	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+2Cl"	69.938804
"1030262"	152.074202	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2Cl"	69.938804
"1250934"	313.128485	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Br"	78.918885
"1311197"	315.184472	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Cl+HCOOH"	80.974872
"1330879"	337.166429	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Cl+NaCOOH"	102.956829
"923031"	347.195186	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M-H+CF3COOH"	112.985586
"1303751"	383.171864	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Cl+CF3COOH"	148.962264
"1380089"	199.196924	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H-2H2O"	-35.012676
"1389933"	217.2069	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H-H2O"	-17.0027
"293996"	469.426476	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+H"	1.007276
"684230"	703.636076	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+H"	1.007276
"1357299"	235.216876	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H"	1.007276
"136752"	235.216876	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+2H"	2.014552
"576310"	352.321676	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+2H"	2.014552
"1040007"	118.112076	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2H"	2.014552
"210825"	157.147009333333	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+3H"	3.021828
"646740"	235.216876	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+3H"	3.021828
"1170702"	79.0771426666667	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+3H"	3.021828
"431788"	486.453023	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+NH4"	18.033823
"796067"	720.662623	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+NH4"	18.033823
"1695680"	252.243423	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+NH4"	18.033823
"343593"	243.7301495	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+H+NH4"	19.041099
"736744"	360.8349495	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+H+NH4"	19.041099
"1490933"	126.6253495	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H+NH4"	19.041099
"406331"	491.408418	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+Na"	22.989218
"765502"	725.618018	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+Na"	22.989218
"1614694"	257.198818	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Na"	22.989218
"327651"	246.207847	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+H+Na"	23.996494
"720801"	363.312647	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+H+Na"	23.996494
"1473895"	129.103047	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H+Na"	23.996494
"1062033"	86.4044566666667	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2H+Na"	25.00377
"1266992"	267.243086	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+CH3OH+H"	33.033486
"388846"	507.382358	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+K"	38.963158
"748749"	741.591958	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+K"	38.963158
"1549710"	273.172758	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+K"	38.963158
"304698"	254.194817	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+H+K"	39.970434
"694932"	371.299617	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+H+K"	39.970434
"1452035"	137.090017	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H+K"	39.970434
"242825"	510.453026	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+ACN+H"	42.033826
"1218815"	276.243426	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+ACN+H"	42.033826
"1201607"	138.625351	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+ACN+2H"	43.041102
"198852"	513.39036	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+2Na-H"	44.97116
"643523"	747.59996	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+2Na-H"	44.97116
"1143745"	279.18076	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2Na-H"	44.97116
"186307"	257.198818	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+2Na"	45.978436
"626962"	374.303618	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+2Na"	45.978436
"1130714"	140.094018	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2Na"	45.978436
"1412415"	93.7317706666667	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H+2Na"	46.985712
"1442464"	281.222346	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H+HCOOH"	47.012746
"234346"	262.23184	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+3H2O+2H"	56.04448
"1519858"	295.27439	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+IsoProp+H"	61.06479
"419910"	265.185788	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+Na+K"	61.952376
"780173"	382.290588	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+Na+K"	61.952376
"1677964"	148.080988	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Na+K"	61.952376
"264484"	532.434968	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+ACN+Na"	64.015768
"1236465"	298.225368	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+ACN+Na"	64.015768
"1722437"	298.248893	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+NH4+HCOOH"	64.039293
"1187426"	101.059084666667	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+3Na"	68.967654
"1660960"	303.204288	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Na+HCOOH"	68.994688
"162355"	545.33824	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+2K-H"	76.91904
"603011"	779.54784	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+2K-H"	76.91904
"1088617"	311.12864	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2K-H"	76.91904
"145433"	273.172758	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"2M+2K"	77.926316
"589367"	390.277558	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"3M+2K"	77.926316
"1079348"	156.067958	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2K"	77.926316
"1108182"	313.143192	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2K+H"	78.933592
"1341286"	313.230807	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+DMSO+H"	79.021207
"1012004"	317.269976	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2ACN+H"	83.060376
"1535595"	318.263608	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+IsoProp+Na+H"	84.054008
"997669"	159.138626	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+2ACN+2H"	84.067652
"1591077"	319.178228	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+K+HCOOH"	84.968628
"1415033"	349.209738	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+H+CF3COOH"	115.000138
"1148481"	179.651901	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+3ACN+2H"	125.094202
"1698031"	366.236285	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+NH4+CF3COOH"	132.026685
"1634898"	371.19168	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+Na+CF3COOH"	136.98208
"1578817"	387.16562	"C17418"	"Genisteine;Genisteine-alkaloid;alpha-Isosparteine"	"C15H26N2"	"234.2096"	"M+K+CF3COOH"	152.95602
"806268"	474.3709	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M"	0
"977615"	455.35251	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-H2O-H"	-19.01839
"69866"	315.239990666667	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M-3H"	-3.021828
"503593"	473.363624	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M-3H"	-3.021828
"882857"	157.116357333333	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-3H"	-3.021828
"1796"	473.363624	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M-2H"	-2.014552
"444273"	710.549074	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M-2H"	-2.014552
"819889"	236.178174	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-2H"	-2.014552
"83162"	947.734524	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M-H"	-1.007276
"520899"	1422.105424	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M-H"	-1.007276
"895748"	473.363624	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-H"	-1.007276
"48704"	964.761071	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M-2H+NH4"	16.019271
"488994"	1439.131971	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M-2H+NH4"	16.019271
"879800"	490.390171	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-2H+NH4"	16.019271
"46787"	969.716466	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M-2H+Na"	20.974666
"486548"	1444.087366	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M-2H+Na"	20.974666
"864063"	495.345566	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-2H+Na"	20.974666
"1633358"	495.345566	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Na-2H"	20.974666
"108344"	491.351963	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M-H+Cl"	33.962126
"549731"	728.537413	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M-H+Cl"	33.962126
"940688"	254.166513	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-H+Cl"	33.962126
"277420"	983.711202	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+Cl"	34.969402
"672392"	1458.082102	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+Cl"	34.969402
"1282243"	509.340302	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Cl"	34.969402
"23704"	985.690406	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M-2H+K"	36.948606
"461075"	1460.061306	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M-2H+K"	36.948606
"838877"	511.319506	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-2H+K"	36.948606
"1558357"	511.319506	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+K-2H"	36.948606
"946973"	519.369094	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-H+HCOOH"	44.998194
"366283"	993.740001	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+HCOOH-H"	44.998201
"354541"	1007.755651	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+Hac-H"	59.013851
"1499000"	533.384751	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Hac-H"	59.013851
"964351"	541.351051	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-H+NaCOOH"	66.980151
"119825"	509.340302	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+2Cl"	69.938804
"559019"	746.525752	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+2Cl"	69.938804
"1028183"	272.154852	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2Cl"	69.938804
"1251044"	553.289785	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Br"	78.918885
"1311305"	555.345772	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Cl+HCOOH"	80.974872
"1327709"	577.327729	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Cl+NaCOOH"	102.956829
"922777"	587.356486	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M-H+CF3COOH"	112.985586
"1294382"	623.333164	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Cl+CF3COOH"	148.962264
"1373638"	439.358224	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H-2H2O"	-35.012676
"1384575"	457.3682	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H-H2O"	-17.0027
"297022"	949.749076	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+H"	1.007276
"684340"	1424.119976	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+H"	1.007276
"1362876"	475.378176	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H"	1.007276
"133581"	475.378176	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+2H"	2.014552
"575326"	712.563626	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+2H"	2.014552
"1043033"	238.192726	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2H"	2.014552
"207654"	317.254542666667	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+3H"	3.021828
"646119"	475.378176	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+3H"	3.021828
"1167162"	159.130909333333	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+3H"	3.021828
"430805"	966.775623	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+NH4"	18.033823
"795084"	1441.146523	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+NH4"	18.033823
"1696885"	492.404723	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+NH4"	18.033823
"345683"	483.8914495	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+H+NH4"	19.041099
"738360"	721.0768995	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+H+NH4"	19.041099
"1492543"	246.7059995	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H+NH4"	19.041099
"408264"	971.731018	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+Na"	22.989218
"769899"	1446.101918	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+Na"	22.989218
"1615898"	497.360118	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Na"	22.989218
"328852"	486.369147	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+H+Na"	23.996494
"720914"	723.554597	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+H+Na"	23.996494
"1475459"	249.183697	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H+Na"	23.996494
"1066883"	166.458223333333	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2H+Na"	25.00377
"1269288"	507.404386	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+CH3OH+H"	33.033486
"388956"	987.704958	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+K"	38.963158
"753803"	1462.075858	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+K"	38.963158
"1550912"	513.334058	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+K"	38.963158
"299706"	494.356117	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+H+K"	39.970434
"692979"	731.541567	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+H+K"	39.970434
"1455427"	257.170667	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H+K"	39.970434
"244032"	990.775626	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+ACN+H"	42.033826
"1215645"	516.404726	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+ACN+H"	42.033826
"1209150"	258.706001	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+ACN+2H"	43.041102
"203914"	993.71296	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+2Na-H"	44.97116
"643038"	1468.08386	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+2Na-H"	44.97116
"1146662"	519.34206	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2Na-H"	44.97116
"188129"	497.360118	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+2Na"	45.978436
"626714"	734.545568	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+2Na"	45.978436
"1129857"	260.174668	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2Na"	45.978436
"1410462"	173.785537333333	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H+2Na"	46.985712
"1444399"	521.383646	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H+HCOOH"	47.012746
"233366"	502.39314	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+3H2O+2H"	56.04448
"1520332"	535.43569	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+IsoProp+H"	61.06479
"417103"	505.347088	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+Na+K"	61.952376
"779191"	742.532538	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+Na+K"	61.952376
"1678807"	268.161638	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Na+K"	61.952376
"264958"	1012.757568	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+ACN+Na"	64.015768
"1238764"	538.386668	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+ACN+Na"	64.015768
"1724002"	538.410193	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+NH4+HCOOH"	64.039293
"1190451"	181.112851333333	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+3Na"	68.967654
"1661073"	543.365588	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Na+HCOOH"	68.994688
"166839"	1025.66084	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+2K-H"	76.91904
"608955"	1500.03174	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+2K-H"	76.91904
"1095656"	551.28994	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2K-H"	76.91904
"152832"	513.334058	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"2M+2K"	77.926316
"593487"	750.519508	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"3M+2K"	77.926316
"1080915"	276.148608	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2K"	77.926316
"1113030"	553.304492	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2K+H"	78.933592
"1344676"	553.392107	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+DMSO+H"	79.021207
"1019405"	557.431276	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2ACN+H"	83.060376
"1533519"	558.424908	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+IsoProp+Na+H"	84.054008
"997780"	279.219276	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+2ACN+2H"	84.067652
"1592281"	559.339528	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+K+HCOOH"	84.968628
"1414536"	589.371038	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+H+CF3COOH"	115.000138
"1148591"	299.732551	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+3ACN+2H"	125.094202
"1697779"	606.397585	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+NH4+CF3COOH"	132.026685
"1635613"	611.35298	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+Na+CF3COOH"	136.98208
"1578927"	627.32692	"C17419"	"Soyasapogenol A"	"C30H50O4"	"474.3709"	"M+K+CF3COOH"	152.95602
"802737"	456.3603	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M"	0
"975173"	437.34191	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-H2O-H"	-19.01839
"64509"	303.232924	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M-3H"	-3.021828
"506261"	455.353024	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M-3H"	-3.021828
"882968"	151.112824	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-3H"	-3.021828
"1544"	455.353024	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M-2H"	-2.014552
"442196"	683.533174	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M-2H"	-2.014552
"818904"	227.172874	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-2H"	-2.014552
"80234"	911.713324	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M-H"	-1.007276
"519918"	1368.073624	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M-H"	-1.007276
"897721"	455.353024	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-H"	-1.007276
"50636"	928.739871	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M-2H+NH4"	16.019271
"502687"	1385.100171	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M-2H+NH4"	16.019271
"879315"	472.379571	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-2H+NH4"	16.019271
"47022"	933.695266	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M-2H+Na"	20.974666
"486902"	1390.055566	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M-2H+Na"	20.974666
"863719"	477.334966	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-2H+Na"	20.974666
"1632288"	477.334966	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Na-2H"	20.974666
"108698"	473.341363	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M-H+Cl"	33.962126
"546920"	701.521513	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M-H+Cl"	33.962126
"941649"	245.161213	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-H+Cl"	33.962126
"276436"	947.690002	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+Cl"	34.969402
"673595"	1404.050302	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+Cl"	34.969402
"1283444"	491.329702	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Cl"	34.969402
"26000"	949.669206	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M-2H+K"	36.948606
"457539"	1406.029506	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M-2H+K"	36.948606
"836074"	493.308906	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-2H+K"	36.948606
"1565763"	493.308906	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+K-2H"	36.948606
"947085"	501.358494	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-H+HCOOH"	44.998194
"364206"	957.718801	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+HCOOH-H"	44.998201
"348453"	971.734451	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+Hac-H"	59.013851
"1494733"	515.374151	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Hac-H"	59.013851
"962279"	523.340451	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-H+NaCOOH"	66.980151
"117747"	491.329702	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+2Cl"	69.938804
"562780"	719.509852	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+2Cl"	69.938804
"1027204"	263.149552	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2Cl"	69.938804
"1247877"	535.279185	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Br"	78.918885
"1314699"	537.335172	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Cl+HCOOH"	80.974872
"1327820"	559.317129	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Cl+NaCOOH"	102.956829
"919971"	569.345886	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M-H+CF3COOH"	112.985586
"1294494"	605.322564	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Cl+CF3COOH"	148.962264
"1381047"	421.347624	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H-2H2O"	-35.012676
"1395630"	439.3576	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H-H2O"	-17.0027
"296771"	913.727876	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+H"	1.007276
"687730"	1370.088176	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+H"	1.007276
"1362986"	457.367576	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H"	1.007276
"134785"	457.367576	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+2H"	2.014552
"574344"	685.547726	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+2H"	2.014552
"1041323"	229.187426	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2H"	2.014552
"213236"	305.247476	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+3H"	3.021828
"651707"	457.367576	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+3H"	3.021828
"1170923"	153.127376	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+3H"	3.021828
"432008"	930.754423	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+NH4"	18.033823
"801291"	1387.114723	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+NH4"	18.033823
"1694078"	474.394123	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+NH4"	18.033823
"342720"	465.8808495	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+H+NH4"	19.041099
"738105"	694.0609995	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+H+NH4"	19.041099
"1492124"	237.7006995	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H+NH4"	19.041099
"407970"	935.709818	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+Na"	22.989218
"768518"	1392.070118	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+Na"	22.989218
"1618309"	479.349518	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Na"	22.989218
"328598"	468.358547	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+H+Na"	23.996494
"722605"	696.538697	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+H+Na"	23.996494
"1476544"	240.178397	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H+Na"	23.996494
"1067966"	160.45469	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2H+Na"	25.00377
"1271224"	489.393786	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+CH3OH+H"	33.033486
"390159"	951.683758	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+K"	38.963158
"753347"	1408.044058	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+K"	38.963158
"1548836"	495.323458	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+K"	38.963158
"307110"	476.345517	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+H+K"	39.970434
"701719"	704.525667	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+H+K"	39.970434
"1454445"	248.165367	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H+K"	39.970434
"249249"	954.754426	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+ACN+H"	42.033826
"1224890"	498.394126	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+ACN+H"	42.033826
"1209461"	249.700701	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+ACN+2H"	43.041102
"204131"	957.69176	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+2Na-H"	44.97116
"644178"	1414.05206	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+2Na-H"	44.97116
"1146977"	501.33146	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2Na-H"	44.97116
"187393"	479.349518	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+2Na"	45.978436
"627560"	707.529668	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+2Na"	45.978436
"1129970"	251.169368	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2Na"	45.978436
"1412394"	167.782004	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H+2Na"	46.985712
"1443051"	503.373046	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H+HCOOH"	47.012746
"233842"	484.38254	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+3H2O+2H"	56.04448
"1521905"	517.42509	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+IsoProp+H"	61.06479
"421589"	487.336488	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+Na+K"	61.952376
"780394"	715.516638	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+Na+K"	61.952376
"1677818"	259.156338	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Na+K"	61.952376
"263245"	976.736368	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+ACN+Na"	64.015768
"1238143"	520.376068	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+ACN+Na"	64.015768
"1724113"	520.399593	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+NH4+HCOOH"	64.039293
"1191654"	175.109318	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+3Na"	68.967654
"1661548"	525.354988	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Na+HCOOH"	68.994688
"166953"	989.63964	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+2K-H"	76.91904
"607606"	1445.99994	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+2K-H"	76.91904
"1095034"	533.27934	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2K-H"	76.91904
"152579"	495.323458	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"2M+2K"	77.926316
"593236"	723.503608	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"3M+2K"	77.926316
"1082488"	267.143308	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2K"	77.926316
"1112412"	535.293892	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2K+H"	78.933592
"1346245"	535.381507	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+DMSO+H"	79.021207
"1014410"	539.420676	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2ACN+H"	83.060376
"1533631"	540.414308	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+IsoProp+Na+H"	84.054008
"1001900"	270.213976	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+2ACN+2H"	84.067652
"1594580"	541.328928	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+K+HCOOH"	84.968628
"1421332"	571.360438	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+H+CF3COOH"	115.000138
"1150526"	290.727251	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+3ACN+2H"	125.094202
"1699711"	588.386985	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+NH4+CF3COOH"	132.026685
"1649221"	593.34238	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+Na+CF3COOH"	136.98208
"1575758"	609.31632	"C17420"	"Soyasapogenol E"	"C30H48O3"	"456.3603"	"M+K+CF3COOH"	152.95602
"806124"	458.376	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M"	0
"975283"	439.35761	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-H2O-H"	-19.01839
"63605"	304.576724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M-3H"	-3.021828
"509651"	457.368724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M-3H"	-3.021828
"884172"	151.784724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-3H"	-3.021828
"1654"	457.368724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M-2H"	-2.014552
"442306"	686.556724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M-2H"	-2.014552
"823388"	228.180724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-2H"	-2.014552
"81194"	915.744724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M-H"	-1.007276
"520756"	1374.120724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M-H"	-1.007276
"897831"	457.368724	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-H"	-1.007276
"48559"	932.771271	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M-2H+NH4"	16.019271
"502110"	1391.147271	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M-2H+NH4"	16.019271
"879766"	474.395271	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-2H+NH4"	16.019271
"47126"	937.726666	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M-2H+Na"	20.974666
"486280"	1396.102666	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M-2H+Na"	20.974666
"863344"	479.350666	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-2H+Na"	20.974666
"1633128"	479.350666	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Na-2H"	20.974666
"109293"	475.357063	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M-H+Cl"	33.962126
"548123"	704.545063	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M-H+Cl"	33.962126
"940541"	246.169063	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-H+Cl"	33.962126
"279462"	951.721402	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+Cl"	34.969402
"672246"	1410.097402	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+Cl"	34.969402
"1281367"	493.345402	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Cl"	34.969402
"28296"	953.700606	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M-2H+K"	36.948606
"459109"	1412.076606	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M-2H+K"	36.948606
"835820"	495.324606	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-2H+K"	36.948606
"1564780"	495.324606	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+K-2H"	36.948606
"947195"	503.374194	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-H+HCOOH"	44.998194
"363588"	961.750201	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+HCOOH-H"	44.998201
"348563"	975.765851	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+Hac-H"	59.013851
"1493872"	517.389851	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Hac-H"	59.013851
"965669"	525.356151	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-H+NaCOOH"	66.980151
"116764"	493.345402	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+2Cl"	69.938804
"562889"	722.533402	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+2Cl"	69.938804
"1034604"	264.157402	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2Cl"	69.938804
"1251267"	537.294885	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Br"	78.918885
"1311529"	539.350872	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Cl+HCOOH"	80.974872
"1333033"	561.332829	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Cl+NaCOOH"	102.956829
"922633"	571.361586	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M-H+CF3COOH"	112.985586
"1294604"	607.338264	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Cl+CF3COOH"	148.962264
"1380066"	423.363324	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H-2H2O"	-35.012676
"1397801"	441.3733	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H-H2O"	-17.0027
"296513"	917.759276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+H"	1.007276
"681279"	1376.135276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+H"	1.007276
"1354344"	459.383276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H"	1.007276
"134894"	459.383276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+2H"	2.014552
"576641"	688.571276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+2H"	2.014552
"1046537"	230.195276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2H"	2.014552
"213345"	306.591276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+3H"	3.021828
"655094"	459.383276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+3H"	3.021828
"1174313"	153.799276	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+3H"	3.021828
"432118"	934.785823	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+NH4"	18.033823
"797123"	1393.161823	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+NH4"	18.033823
"1696013"	476.409823	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+NH4"	18.033823
"343194"	467.8965495	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+H+NH4"	19.041099
"737199"	697.0845495	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+H+NH4"	19.041099
"1491627"	238.7085495	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H+NH4"	19.041099
"407026"	939.741218	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+Na"	22.989218
"767656"	1398.117218	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+Na"	22.989218
"1617336"	481.365218	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Na"	22.989218
"325791"	470.374247	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+H+Na"	23.996494
"719672"	699.562247	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+H+Na"	23.996494
"1472033"	241.186247	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H+Na"	23.996494
"1067833"	161.12659	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2H+Na"	25.00377
"1270605"	491.409486	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+CH3OH+H"	33.033486
"388080"	955.715158	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+K"	38.963158
"751634"	1414.091158	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+K"	38.963158
"1548945"	497.339158	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+K"	38.963158
"300656"	478.361217	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+H+K"	39.970434
"691986"	707.549217	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+H+K"	39.970434
"1446169"	249.173217	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H+K"	39.970434
"242064"	958.785826	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+ACN+H"	42.033826
"1225107"	500.409826	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+ACN+H"	42.033826
"1206314"	250.708551	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+ACN+2H"	43.041102
"203855"	961.72316	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+2Na-H"	44.97116
"643369"	1420.09916	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+2Na-H"	44.97116
"1145907"	503.34716	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2Na-H"	44.97116
"185908"	481.365218	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+2Na"	45.978436
"626568"	710.553218	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+2Na"	45.978436
"1130194"	252.177218	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2Na"	45.978436
"1412140"	168.453904	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H+2Na"	46.985712
"1442433"	505.388746	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H+HCOOH"	47.012746
"233586"	486.39824	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+3H2O+2H"	56.04448
"1522011"	519.44079	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+IsoProp+H"	61.06479
"420967"	489.352188	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+Na+K"	61.952376
"780504"	718.540188	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+Na+K"	61.952376
"1676835"	260.164188	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Na+K"	61.952376
"263357"	980.767768	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+ACN+Na"	64.015768
"1237523"	522.391768	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+ACN+Na"	64.015768
"1723494"	522.415293	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+NH4+HCOOH"	64.039293
"1188850"	175.781218	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+3Na"	68.967654
"1656918"	527.370688	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Na+HCOOH"	68.994688
"164875"	993.67104	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+2K-H"	76.91904
"604433"	1452.04704	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+2K-H"	76.91904
"1093321"	535.29504	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2K-H"	76.91904
"147950"	497.339158	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"2M+2K"	77.926316
"589697"	726.527158	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"3M+2K"	77.926316
"1082109"	268.151158	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2K"	77.926316
"1112887"	537.309592	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2K+H"	78.933592
"1343439"	537.397207	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+DMSO+H"	79.021207
"1014519"	541.436376	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2ACN+H"	83.060376
"1530460"	542.430008	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+IsoProp+Na+H"	84.054008
"996907"	271.221826	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+2ACN+2H"	84.067652
"1594690"	543.344628	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+K+HCOOH"	84.968628
"1421442"	573.376138	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+H+CF3COOH"	115.000138
"1153918"	291.735101	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+3ACN+2H"	125.094202
"1699457"	590.402685	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+NH4+CF3COOH"	132.026685
"1649331"	595.35808	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+Na+CF3COOH"	136.98208
"1575868"	611.33202	"C17421"	"Soyasapogenol F;Soyasapogenol B1"	"C30H50O3"	"458.376"	"M+K+CF3COOH"	152.95602
"806234"	440.3654	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M"	0
"975514"	421.34701	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-H2O-H"	-19.01839
"62955"	292.569657333333	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M-3H"	-3.021828
"507574"	439.358124	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M-3H"	-3.021828
"884281"	145.781190666667	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-3H"	-3.021828
"3950"	439.358124	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M-2H"	-2.014552
"445697"	659.540824	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M-2H"	-2.014552
"820583"	219.175424	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-2H"	-2.014552
"80940"	879.723524	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M-H"	-1.007276
"520866"	1320.088924	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M-H"	-1.007276
"897577"	439.358124	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-H"	-1.007276
"49763"	896.750071	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M-2H+NH4"	16.019271
"502097"	1337.115471	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M-2H+NH4"	16.019271
"879756"	456.384671	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-2H+NH4"	16.019271
"46715"	901.705466	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M-2H+Na"	20.974666
"486137"	1342.070866	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M-2H+Na"	20.974666
"857862"	461.340066	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-2H+Na"	20.974666
"1633484"	461.340066	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Na-2H"	20.974666
"109817"	457.346463	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M-H+Cl"	33.962126
"548236"	677.529163	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M-H+Cl"	33.962126
"941137"	237.163763	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-H+Cl"	33.962126
"278843"	915.700202	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+Cl"	34.969402
"671263"	1356.065602	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+Cl"	34.969402
"1280384"	475.334802	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Cl"	34.969402
"25127"	917.679406	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M-2H+K"	36.948606
"457761"	1358.044806	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M-2H+K"	36.948606
"838116"	477.314006	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-2H+K"	36.948606
"1565983"	477.314006	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+K-2H"	36.948606
"947305"	485.363594	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-H+HCOOH"	44.998194
"363334"	925.729001	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+HCOOH-H"	44.998201
"348672"	939.744651	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+Hac-H"	59.013851
"1494954"	499.379251	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Hac-H"	59.013851
"962499"	507.345551	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-H+NaCOOH"	66.980151
"116874"	475.334802	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+2Cl"	69.938804
"565189"	695.517502	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+2Cl"	69.938804
"1036172"	255.152102	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2Cl"	69.938804
"1248097"	519.284285	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Br"	78.918885
"1313825"	521.340272	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Cl+HCOOH"	80.974872
"1325852"	543.322229	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Cl+NaCOOH"	102.956829
"920191"	553.350986	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M-H+CF3COOH"	112.985586
"1290338"	589.327664	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Cl+CF3COOH"	148.962264
"1381877"	405.352724	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H-2H2O"	-35.012676
"1398156"	423.3627	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H-H2O"	-17.0027
"296623"	881.738076	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+H"	1.007276
"681389"	1322.103476	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+H"	1.007276
"1357734"	441.372676	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H"	1.007276
"138284"	441.372676	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+2H"	2.014552
"575658"	661.555376	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+2H"	2.014552
"1046647"	221.189976	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2H"	2.014552
"213455"	294.584209333333	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+3H"	3.021828
"655204"	441.372676	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+3H"	3.021828
"1176610"	147.795742666667	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+3H"	3.021828
"432228"	898.764623	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+NH4"	18.033823
"797597"	1339.130023	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+NH4"	18.033823
"1696001"	458.399223	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+NH4"	18.033823
"343304"	449.8859495	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+H+NH4"	19.041099
"736457"	670.0686495	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+H+NH4"	19.041099
"1490282"	229.7032495	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H+NH4"	19.041099
"406405"	903.720018	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+Na"	22.989218
"767645"	1344.085418	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+Na"	22.989218
"1615865"	463.354618	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Na"	22.989218
"326264"	452.363647	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+H+Na"	23.996494
"720390"	672.546347	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+H+Na"	23.996494
"1473965"	232.180947	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H+Na"	23.996494
"1065637"	155.123056666667	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2H+Na"	25.00377
"1268528"	473.398886	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+CH3OH+H"	33.033486
"391106"	919.693958	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+K"	38.963158
"752473"	1360.059358	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+K"	38.963158
"1547961"	479.328558	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+K"	38.963158
"300037"	460.350617	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+H+K"	39.970434
"694282"	680.533317	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+H+K"	39.970434
"1450290"	240.167917	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H+K"	39.970434
"241081"	922.764626	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+ACN+H"	42.033826
"1220352"	482.399226	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+ACN+H"	42.033826
"1204236"	241.703251	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+ACN+2H"	43.041102
"203676"	925.70196	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+2Na-H"	44.97116
"641044"	1366.06736	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+2Na-H"	44.97116
"1145655"	485.33656	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2Na-H"	44.97116
"186262"	463.354618	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+2Na"	45.978436
"627284"	683.537318	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+2Na"	45.978436
"1129332"	243.171918	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2Na"	45.978436
"1411522"	162.450370666667	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H+2Na"	46.985712
"1442175"	487.378146	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H+HCOOH"	47.012746
"233087"	468.38764	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+3H2O+2H"	56.04448
"1523337"	501.43019	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+IsoProp+H"	61.06479
"421804"	471.341588	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+Na+K"	61.952376
"778427"	691.524288	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+Na+K"	61.952376
"1678039"	251.158888	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Na+K"	61.952376
"264557"	944.746568	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+ACN+Na"	64.015768
"1238360"	504.381168	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+ACN+Na"	64.015768
"1723968"	504.404693	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+NH4+HCOOH"	64.039293
"1190416"	169.777684666667	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+3Na"	68.967654
"1660307"	509.360088	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Na+HCOOH"	68.994688
"167171"	957.64984	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+2K-H"	76.91904
"608552"	1398.01524	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+2K-H"	76.91904
"1093432"	517.28444	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2K-H"	76.91904
"150246"	479.328558	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"2M+2K"	77.926316
"586524"	699.511258	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"3M+2K"	77.926316
"1079422"	259.145858	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2K"	77.926316
"1110446"	519.298992	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2K+H"	78.933592
"1346829"	519.386607	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+DMSO+H"	79.021207
"1009162"	523.425776	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2ACN+H"	83.060376
"1529474"	524.419408	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+IsoProp+Na+H"	84.054008
"993736"	262.216526	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+2ACN+2H"	84.067652
"1591520"	525.334028	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+K+HCOOH"	84.968628
"1421552"	555.365538	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+H+CF3COOH"	115.000138
"1154028"	282.729801	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+3ACN+2H"	125.094202
"1699203"	572.392085	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+NH4+CF3COOH"	132.026685
"1649444"	577.34748	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+Na+CF3COOH"	136.98208
"1585819"	593.32142	"C17422"	"Soyasapogenol C;Sapogenol C"	"C30H48O2"	"440.3654"	"M+K+CF3COOH"	152.95602
"806344"	472.3916	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M"	0
"975870"	453.37321	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-H2O-H"	-19.01839
"68122"	313.920457333333	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M-3H"	-3.021828
"516069"	471.384324	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M-3H"	-3.021828
"887674"	156.456590666667	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-3H"	-3.021828
"2967"	471.384324	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M-2H"	-2.014552
"440255"	707.580124	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M-2H"	-2.014552
"823609"	235.188524	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-2H"	-2.014552
"85791"	943.775924	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M-H"	-1.007276
"521461"	1416.167524	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M-H"	-1.007276
"907165"	471.384324	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-H"	-1.007276
"54249"	960.802471	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M-2H+NH4"	16.019271
"493810"	1433.194071	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M-2H+NH4"	16.019271
"879049"	488.410871	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-2H+NH4"	16.019271
"46300"	965.757866	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M-2H+Na"	20.974666
"485518"	1438.149466	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M-2H+Na"	20.974666
"863933"	493.366266	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-2H+Na"	20.974666
"1632865"	493.366266	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Na-2H"	20.974666
"109593"	489.372663	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M-H+Cl"	33.962126
"547978"	725.568463	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M-H+Cl"	33.962126
"942099"	253.176863	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-H+Cl"	33.962126
"276766"	979.752602	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+Cl"	34.969402
"666999"	1452.144202	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+Cl"	34.969402
"1278306"	507.361002	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Cl"	34.969402
"20862"	981.731806	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M-2H+K"	36.948606
"457383"	1454.123406	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M-2H+K"	36.948606
"836040"	509.340206	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-2H+K"	36.948606
"1562815"	509.340206	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+K-2H"	36.948606
"947416"	517.389794	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-H+HCOOH"	44.998194
"361738"	989.781401	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+HCOOH-H"	44.998201
"346230"	1003.797051	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+Hac-H"	59.013851
"1493114"	531.405451	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Hac-H"	59.013851
"962609"	539.371751	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-H+NaCOOH"	66.980151
"116984"	507.361002	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+2Cl"	69.938804
"557638"	743.556802	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+2Cl"	69.938804
"1034097"	271.165202	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2Cl"	69.938804
"1254769"	551.310485	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Br"	78.918885
"1309562"	553.366472	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Cl+HCOOH"	80.974872
"1323048"	575.348429	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Cl+NaCOOH"	102.956829
"913742"	585.377186	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M-H+CF3COOH"	112.985586
"1288540"	621.353864	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Cl+CF3COOH"	148.962264
"1381738"	437.378924	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H-2H2O"	-35.012676
"1398026"	455.3889	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H-H2O"	-17.0027
"294548"	945.790476	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+H"	1.007276
"681500"	1418.182076	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+H"	1.007276
"1357849"	473.398876	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H"	1.007276
"136208"	473.398876	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+2H"	2.014552
"574676"	709.594676	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+2H"	2.014552
"1044570"	237.203076	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2H"	2.014552
"216846"	315.935009333333	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+3H"	3.021828
"657502"	473.398876	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+3H"	3.021828
"1176721"	158.471142666667	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+3H"	3.021828
"438538"	962.817023	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+NH4"	18.033823
"799789"	1435.208623	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+NH4"	18.033823
"1695872"	490.425423	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+NH4"	18.033823
"344880"	481.9121495	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+H+NH4"	19.041099
"737545"	718.1079495	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+H+NH4"	19.041099
"1491485"	245.7163495	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H+NH4"	19.041099
"406884"	967.772418	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+Na"	22.989218
"768245"	1440.164018	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+Na"	22.989218
"1616708"	495.380818	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Na"	22.989218
"326376"	484.389847	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+H+Na"	23.996494
"719893"	720.585647	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+H+Na"	23.996494
"1475539"	248.194047	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H+Na"	23.996494
"1065867"	165.798456666667	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2H+Na"	25.00377
"1269001"	505.425086	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+CH3OH+H"	33.033486
"391221"	983.746358	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+K"	38.963158
"752583"	1456.137958	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+K"	38.963158
"1549164"	511.354758	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+K"	38.963158
"301972"	492.376817	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+H+K"	39.970434
"694394"	728.572617	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+H+K"	39.970434
"1455870"	256.181017	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H+K"	39.970434
"245567"	986.817026	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+ACN+H"	42.033826
"1225330"	514.425426	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+ACN+H"	42.033826
"1206534"	257.716351	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+ACN+2H"	43.041102
"203305"	989.75436	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+2Na-H"	44.97116
"642017"	1462.14596	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+2Na-H"	44.97116
"1144307"	517.36276	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2Na-H"	44.97116
"186860"	495.380818	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+2Na"	45.978436
"626056"	731.576618	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+2Na"	45.978436
"1129081"	259.185018	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2Na"	45.978436
"1411993"	173.125770666667	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H+2Na"	46.985712
"1444109"	519.404346	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H+HCOOH"	47.012746
"231980"	500.41384	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+3H2O+2H"	56.04448
"1523081"	533.45639	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+IsoProp+H"	61.06479
"419729"	503.367788	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+Na+K"	61.952376
"781817"	739.563588	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+Na+K"	61.952376
"1677056"	267.171988	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Na+K"	61.952376
"261389"	1008.798968	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+ACN+Na"	64.015768
"1235558"	536.407368	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+ACN+Na"	64.015768
"1724442"	536.430893	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+NH4+HCOOH"	64.039293
"1191620"	180.453084666667	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+3Na"	68.967654
"1659693"	541.386288	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Na+HCOOH"	68.994688
"165094"	1021.70224	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+2K-H"	76.91904
"603561"	1494.09384	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+2K-H"	76.91904
"1093540"	549.31064	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2K-H"	76.91904
"150356"	511.354758	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"2M+2K"	77.926316
"592471"	747.550558	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"3M+2K"	77.926316
"1076616"	275.158958	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2K"	77.926316
"1107638"	551.325192	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2K+H"	78.933592
"1336610"	551.412807	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+DMSO+H"	79.021207
"1010367"	555.451976	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2ACN+H"	83.060376
"1526305"	556.445608	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+IsoProp+Na+H"	84.054008
"990035"	278.229626	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+2ACN+2H"	84.067652
"1589443"	557.360228	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+K+HCOOH"	84.968628
"1416560"	587.391738	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+H+CF3COOH"	115.000138
"1148669"	298.742901	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+3ACN+2H"	125.094202
"1700406"	604.418285	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+NH4+CF3COOH"	132.026685
"1649312"	609.37368	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+Na+CF3COOH"	136.98208
"1585929"	625.34762	"C17423"	"Soyasapogenol D"	"C31H52O3"	"472.3916"	"M+K+CF3COOH"	152.95602
"806454"	228.115	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M"	0
"975002"	209.09661	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-H2O-H"	-19.01839
"73701"	151.069390666667	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M-3H"	-3.021828
"506701"	227.107724	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M-3H"	-3.021828
"884505"	75.0310573333333	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-3H"	-3.021828
"1131"	227.107724	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M-2H"	-2.014552
"440935"	341.165224	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M-2H"	-2.014552
"823719"	113.050224	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-2H"	-2.014552
"85901"	455.222724	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M-H"	-1.007276
"521450"	683.337724	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M-H"	-1.007276
"910641"	227.107724	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-H"	-1.007276
"53266"	472.249271	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M-2H+NH4"	16.019271
"493920"	700.364271	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M-2H+NH4"	16.019271
"879883"	244.134271	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-2H+NH4"	16.019271
"47110"	477.204666	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M-2H+Na"	20.974666
"486900"	705.319666	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M-2H+Na"	20.974666
"864204"	249.089666	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-2H+Na"	20.974666
"1633992"	249.089666	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Na-2H"	20.974666
"109975"	245.096063	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M-H+Cl"	33.962126
"546995"	359.153563	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M-H+Cl"	33.962126
"941238"	131.038563	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-H+Cl"	33.962126
"274690"	491.199402	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+Cl"	34.969402
"666016"	719.314402	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+Cl"	34.969402
"1277324"	263.084402	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Cl"	34.969402
"19149"	493.178606	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M-2H+K"	36.948606
"458345"	721.293606	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M-2H+K"	36.948606
"835058"	265.063606	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-2H+K"	36.948606
"1567299"	265.063606	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+K-2H"	36.948606
"947526"	273.113194	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-H+HCOOH"	44.998194
"361928"	501.228201	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+HCOOH-H"	44.998201
"348159"	515.243851	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+Hac-H"	59.013851
"1493708"	287.128851	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Hac-H"	59.013851
"959801"	295.095151	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-H+NaCOOH"	66.980151
"111626"	263.084402	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+2Cl"	69.938804
"557748"	377.141902	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+2Cl"	69.938804
"1033113"	149.026902	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2Cl"	69.938804
"1256340"	307.033885	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Br"	78.918885
"1318420"	309.089872	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Cl+HCOOH"	80.974872
"1328262"	331.071829	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Cl+NaCOOH"	102.956829
"914216"	341.100586	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M-H+CF3COOH"	112.985586
"1288854"	377.077264	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Cl+CF3COOH"	148.962264
"1380755"	193.102324	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H-2H2O"	-35.012676
"1397166"	211.1123	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H-H2O"	-17.0027
"297942"	457.237276	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+H"	1.007276
"687079"	685.352276	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+H"	1.007276
"1357960"	229.122276	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H"	1.007276
"137412"	229.122276	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+2H"	2.014552
"573692"	343.179776	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+2H"	2.014552
"1043221"	115.064776	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2H"	2.014552
"217687"	153.083942666667	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+3H"	3.021828
"656522"	229.122276	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+3H"	3.021828
"1173552"	77.0456093333333	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+3H"	3.021828
"437801"	474.263823	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+NH4"	18.033823
"801069"	702.378823	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+NH4"	18.033823
"1696591"	246.148823	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+NH4"	18.033823
"345233"	237.6355495	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+H+NH4"	19.041099
"737776"	351.6930495	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+H+NH4"	19.041099
"1492692"	123.5780495	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H+NH4"	19.041099
"408454"	479.219218	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+Na"	22.989218
"767258"	707.334218	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+Na"	22.989218
"1617545"	251.104218	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Na"	22.989218
"327216"	240.113247	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+H+Na"	23.996494
"718908"	354.170747	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+H+Na"	23.996494
"1476013"	126.055747	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H+Na"	23.996494
"1067801"	84.3729233333333	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2H+Na"	25.00377
"1268748"	261.148486	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+CH3OH+H"	33.033486
"390964"	495.193158	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+K"	38.963158
"753423"	723.308158	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+K"	38.963158
"1552190"	267.078158	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+K"	38.963158
"303174"	248.100217	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+H+K"	39.970434
"702159"	362.157717	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+H+K"	39.970434
"1454889"	134.042717	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H+K"	39.970434
"250538"	498.263826	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+ACN+H"	42.033826
"1225361"	270.148826	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+ACN+H"	42.033826
"1209770"	135.578051	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+ACN+2H"	43.041102
"203532"	501.20116	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+2Na-H"	44.97116
"642853"	729.31616	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+2Na-H"	44.97116
"1144296"	273.08616	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2Na-H"	44.97116
"187216"	251.104218	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+2Na"	45.978436
"627140"	365.161718	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+2Na"	45.978436
"1126756"	137.046718	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2Na"	45.978436
"1411372"	91.7002373333333	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H+2Na"	46.985712
"1440208"	275.127746	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H+HCOOH"	47.012746
"234767"	256.13724	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+3H2O+2H"	56.04448
"1521246"	289.17979	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+IsoProp+H"	61.06479
"420933"	259.091188	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+Na+K"	61.952376
"778648"	373.148688	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+Na+K"	61.952376
"1674980"	145.033688	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Na+K"	61.952376
"264779"	520.245768	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+ACN+Na"	64.015768
"1236395"	292.130768	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+ACN+Na"	64.015768
"1721999"	292.154293	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+NH4+HCOOH"	64.039293
"1189905"	99.0275513333333	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+3Na"	68.967654
"1661259"	297.109688	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Na+HCOOH"	68.994688
"167392"	533.14904	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+2K-H"	76.91904
"608045"	761.26404	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+2K-H"	76.91904
"1092557"	305.03404	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2K-H"	76.91904
"151561"	267.078158	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"2M+2K"	77.926316
"595013"	381.135658	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"3M+2K"	77.926316
"1077822"	153.020658	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2K"	77.926316
"1111030"	307.048592	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2K+H"	78.933592
"1344134"	307.136207	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+DMSO+H"	79.021207
"1013759"	311.175376	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2ACN+H"	83.060376
"1534071"	312.169008	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+IsoProp+Na+H"	84.054008
"997237"	156.091326	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+2ACN+2H"	84.067652
"1595021"	313.083628	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+K+HCOOH"	84.968628
"1419587"	343.115138	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+H+CF3COOH"	115.000138
"1148414"	176.604601	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+3ACN+2H"	125.094202
"1700516"	360.141685	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+NH4+CF3COOH"	132.026685
"1648935"	365.09708	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+Na+CF3COOH"	136.98208
"1586039"	381.07102	"C17424"	"Lindenenone"	"C15H16O2"	"228.115"	"M+K+CF3COOH"	152.95602
"806564"	244.1099	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M"	0
"974992"	225.09151	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-H2O-H"	-19.01839
"66152"	161.732657333333	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M-3H"	-3.021828
"507904"	243.102624	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M-3H"	-3.021828
"884611"	80.3626906666667	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-3H"	-3.021828
"4281"	243.102624	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M-2H"	-2.014552
"441287"	365.157574	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M-2H"	-2.014552
"820913"	121.047674	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-2H"	-2.014552
"86011"	487.212524	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M-H"	-1.007276
"521925"	731.322424	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M-H"	-1.007276
"910669"	243.102624	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-H"	-1.007276
"53376"	504.239071	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M-2H+NH4"	16.019271
"494030"	748.348971	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M-2H+NH4"	16.019271
"879218"	260.129171	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-2H+NH4"	16.019271
"46838"	509.194466	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M-2H+Na"	20.974666
"486599"	753.304366	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M-2H+Na"	20.974666
"863422"	265.084566	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-2H+Na"	20.974666
"1634133"	265.084566	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Na-2H"	20.974666
"107537"	261.090963	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M-H+Cl"	33.962126
"548197"	383.145913	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M-H+Cl"	33.962126
"942483"	139.036013	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-H+Cl"	33.962126
"278079"	523.189202	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+Cl"	34.969402
"665032"	767.299102	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+Cl"	34.969402
"1279620"	279.079302	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Cl"	34.969402
"21082"	525.168406	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M-2H+K"	36.948606
"461736"	769.278306	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M-2H+K"	36.948606
"834436"	281.058506	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-2H+K"	36.948606
"1558293"	281.058506	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+K-2H"	36.948606
"947636"	289.108094	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-H+HCOOH"	44.998194
"362205"	533.218001	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+HCOOH-H"	44.998201
"346082"	547.233651	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+Hac-H"	59.013851
"1492824"	303.123751	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Hac-H"	59.013851
"958692"	311.090051	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-H+NaCOOH"	66.980151
"113923"	279.079302	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+2Cl"	69.938804
"557858"	401.134252	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+2Cl"	69.938804
"1033223"	157.024352	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2Cl"	69.938804
"1256980"	323.028785	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Br"	78.918885
"1318530"	325.084772	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Cl+HCOOH"	80.974872
"1328372"	347.066729	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Cl+NaCOOH"	102.956829
"914690"	357.095486	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M-H+CF3COOH"	112.985586
"1290304"	393.072164	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Cl+CF3COOH"	148.962264
"1382622"	209.097224	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H-2H2O"	-35.012676
"1396184"	227.1072	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H-H2O"	-17.0027
"298254"	489.227076	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+H"	1.007276
"687189"	733.336976	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+H"	1.007276
"1363536"	245.117176	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H"	1.007276
"137522"	245.117176	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+2H"	2.014552
"574895"	367.172126	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+2H"	2.014552
"1044789"	123.062226	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2H"	2.014552
"218891"	163.747209333333	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+3H"	3.021828
"658819"	245.117176	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+3H"	3.021828
"1175851"	82.3772426666667	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+3H"	3.021828
"436571"	506.253623	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+NH4"	18.033823
"797932"	750.363523	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+NH4"	18.033823
"1696095"	262.143723	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+NH4"	18.033823
"344373"	253.6304495	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+H+NH4"	19.041099
"737524"	375.6853995	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+H+NH4"	19.041099
"1492518"	131.5754995	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H+NH4"	19.041099
"408118"	511.209018	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+Na"	22.989218
"768461"	755.318918	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+Na"	22.989218
"1615465"	267.099118	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Na"	22.989218
"327691"	256.108147	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+H+Na"	23.996494
"719384"	378.163097	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+H+Na"	23.996494
"1476812"	134.053197	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H+Na"	23.996494
"1068040"	89.7045566666667	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2H+Na"	25.00377
"1269948"	277.143386	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+CH3OH+H"	33.033486
"391684"	527.182958	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+K"	38.963158
"753899"	771.292858	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+K"	38.963158
"1551207"	283.073058	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+K"	38.963158
"306564"	264.095117	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+H+K"	39.970434
"704457"	386.150067	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+H+K"	39.970434
"1461288"	142.040167	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H+K"	39.970434
"250040"	530.253626	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+ACN+H"	42.033826
"1225431"	286.143726	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+ACN+H"	42.033826
"1209825"	143.575501	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+ACN+2H"	43.041102
"203525"	533.19096	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+2Na-H"	44.97116
"642476"	777.30086	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+2Na-H"	44.97116
"1144528"	289.08106	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2Na-H"	44.97116
"187085"	267.099118	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+2Na"	45.978436
"627370"	389.154068	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+2Na"	45.978436
"1130636"	145.044168	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2Na"	45.978436
"1413673"	97.0318706666667	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H+2Na"	46.985712
"1444329"	291.122646	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H+HCOOH"	47.012746
"234155"	272.13214	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+3H2O+2H"	56.04448
"1523916"	305.17469	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+IsoProp+H"	61.06479
"422503"	275.086088	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+Na+K"	61.952376
"779852"	397.141038	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+Na+K"	61.952376
"1679467"	153.031138	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Na+K"	61.952376
"263796"	552.235568	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+ACN+Na"	64.015768
"1239420"	308.125668	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+ACN+Na"	64.015768
"1725755"	308.149193	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+NH4+HCOOH"	64.039293
"1191839"	104.359184666667	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+3Na"	68.967654
"1661734"	313.104588	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Na+HCOOH"	68.994688
"167502"	565.13884	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+2K-H"	76.91904
"608155"	809.24874	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+2K-H"	76.91904
"1095947"	321.02894	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2K-H"	76.91904
"151307"	283.073058	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"2M+2K"	77.926316
"591233"	405.128008	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"3M+2K"	77.926316
"1076839"	161.018108	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2K"	77.926316
"1106766"	323.043492	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2K+H"	78.933592
"1344244"	323.131107	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+DMSO+H"	79.021207
"1014962"	327.170276	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2ACN+H"	83.060376
"1533088"	328.163908	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+IsoProp+Na+H"	84.054008
"997347"	164.088776	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+2ACN+2H"	84.067652
"1595131"	329.078528	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+K+HCOOH"	84.968628
"1419697"	359.110038	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+H+CF3COOH"	115.000138
"1147914"	184.602051	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+3ACN+2H"	125.094202
"1700626"	376.136585	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+NH4+CF3COOH"	132.026685
"1649815"	381.09198	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+Na+CF3COOH"	136.98208
"1586149"	397.06592	"C17425"	"Linderalactone"	"C15H16O3"	"244.1099"	"M+K+CF3COOH"	152.95602
"806674"	339.1471	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M"	0
"978018"	320.12871	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"67355"	225.090790666667	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"508007"	338.139824	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"881807"	112.041757333333	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"1596"	338.139824	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"442127"	507.713374	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"820659"	168.566274	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"86122"	677.286924	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"518914"	1016.434024	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"911022"	338.139824	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"54579"	694.313471	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"494140"	1033.460571	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"879241"	355.166371	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"47061"	699.268866	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"487054"	1038.415966	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"863410"	360.121766	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1634073"	360.121766	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"107647"	356.128163	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"545026"	525.701713	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"940364"	186.554613	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"274910"	713.263602	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"665144"	1052.410702	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1279732"	374.116502	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"26660"	715.242806	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"461846"	1054.389906	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"834182"	376.095706	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1558039"	376.095706	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"947746"	384.145294	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"363165"	723.292401	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"345842"	737.308051	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1492792"	398.160951	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"958536"	406.127251	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"114033"	374.116502	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"557968"	543.690052	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1030048"	204.542952	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1250720"	418.065985	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1315360"	420.121972	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1328482"	442.103929	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"914072"	452.132686	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1289685"	488.109364	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1378786"	304.134424	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1394096"	322.1444	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"297433"	679.301476	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"687299"	1018.448576	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1357086"	340.154376	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"137632"	340.154376	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"576099"	509.727926	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1042713"	170.580826	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"218638"	227.105342666667	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"657108"	340.154376	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1175597"	114.056309333333	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"437045"	696.328023	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"798042"	1035.475123	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1696204"	357.180923	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"344726"	348.6676495	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"738282"	518.2411995	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1492507"	179.0940995	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"407941"	701.283418	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"767114"	1040.430518	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1615940"	362.136318	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"327072"	351.145347	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"719859"	520.718897	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1476232"	181.571797	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1068149"	121.383623333333	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1268602"	372.180586	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"391187"	717.257358	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"752915"	1056.404458	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1551317"	378.110258	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"306674"	359.132317	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"702380"	528.705867	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1460458"	189.558767	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"249177"	720.328026	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1224930"	381.180926	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1207959"	191.094101	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"203384"	723.26536	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"643437"	1062.41246	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1145728"	384.11826	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"188243"	362.136318	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"627843"	531.709868	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1130622"	192.562768	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1413740"	128.710937333333	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1445168"	386.159846	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"235582"	367.16934	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1524098"	400.21189	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"422613"	370.123288	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"781055"	539.696838	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1677388"	200.549738	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"264999"	742.309968	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1238437"	403.162868	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1726229"	403.186393	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1191949"	136.038251333333	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1660751"	408.141788	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"167612"	755.21324	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"607171"	1094.36034	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1093870"	416.06614	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"151779"	378.110258	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"586967"	547.683808	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1080228"	208.536708	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1101894"	418.080692	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1344354"	418.168307	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1008509"	422.207476	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1533198"	423.201108	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"994177"	211.607376	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1595241"	424.115728	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1418712"	454.147238	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1148998"	232.120651	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1698913"	471.173785	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1649766"	476.12918	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1586259"	492.10312	"C17426"	"Dicentrine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"813344"	238.1933	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M"	0
"982503"	219.17491	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-H2O-H"	-19.01839
"71839"	157.788257333333	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M-3H"	-3.021828
"511399"	237.186024	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M-3H"	-3.021828
"893947"	78.3904906666667	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-3H"	-3.021828
"6690"	237.186024	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M-2H"	-2.014552
"447342"	356.282674	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M-2H"	-2.014552
"821862"	118.089374	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-2H"	-2.014552
"92188"	475.379324	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M-H"	-1.007276
"531627"	713.572624	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M-H"	-1.007276
"910409"	237.186024	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-H"	-1.007276
"60403"	492.405871	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M-2H+NH4"	16.019271
"497166"	730.599171	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M-2H+NH4"	16.019271
"879686"	254.212571	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-2H+NH4"	16.019271
"46409"	497.361266	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M-2H+Na"	20.974666
"486575"	735.554566	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M-2H+Na"	20.974666
"863768"	259.167966	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-2H+Na"	20.974666
"1633664"	259.167966	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Na-2H"	20.974666
"107029"	255.174363	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M-H+Cl"	33.962126
"548779"	374.271013	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M-H+Cl"	33.962126
"940474"	136.077713	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-H+Cl"	33.962126
"278300"	511.356002	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+Cl"	34.969402
"665254"	749.549302	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+Cl"	34.969402
"1280937"	273.162702	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Cl"	34.969402
"22398"	513.335206	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M-2H+K"	36.948606
"459773"	751.528506	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M-2H+K"	36.948606
"835388"	275.141906	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-2H+K"	36.948606
"1557785"	275.141906	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+K-2H"	36.948606
"945668"	283.191494	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-H+HCOOH"	44.998194
"362060"	521.384801	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+HCOOH-H"	44.998201
"346668"	535.400451	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+Hac-H"	59.013851
"1492934"	297.207151	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Hac-H"	59.013851
"959036"	305.173451	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-H+NaCOOH"	66.980151
"117424"	273.162702	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+2Cl"	69.938804
"558078"	392.259352	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+2Cl"	69.938804
"1030158"	154.066052	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2Cl"	69.938804
"1250830"	317.112185	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Br"	78.918885
"1316560"	319.168172	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Cl+HCOOH"	80.974872
"1330777"	341.150129	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Cl+NaCOOH"	102.956829
"917462"	351.178886	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M-H+CF3COOH"	112.985586
"1290889"	387.155564	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Cl+CF3COOH"	148.962264
"1381455"	203.180624	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H-2H2O"	-35.012676
"1396757"	221.1906	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H-H2O"	-17.0027
"297175"	477.393876	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+H"	1.007276
"686316"	715.587176	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+H"	1.007276
"1363758"	239.200576	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H"	1.007276
"140537"	239.200576	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+2H"	2.014552
"577302"	358.297226	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+2H"	2.014552
"1045009"	120.103926	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2H"	2.014552
"218745"	159.802809333333	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+3H"	3.021828
"655759"	239.200576	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+3H"	3.021828
"1176071"	80.4050426666667	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+3H"	3.021828
"438977"	494.420423	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+NH4"	18.033823
"800336"	732.613723	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+NH4"	18.033823
"1696070"	256.227123	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+NH4"	18.033823
"344592"	247.7138495	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+H+NH4"	19.041099
"737014"	366.8104995	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+H+NH4"	19.041099
"1492048"	128.6171995	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H+NH4"	19.041099
"405136"	499.375818	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+Na"	22.989218
"768929"	737.569118	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+Na"	22.989218
"1617512"	261.182518	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Na"	22.989218
"326453"	250.191547	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+H+Na"	23.996494
"720699"	369.288197	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+H+Na"	23.996494
"1476348"	131.094897	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H+Na"	23.996494
"1067286"	87.7323566666667	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2H+Na"	25.00377
"1272242"	271.226786	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+CH3OH+H"	33.033486
"391299"	515.349758	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+K"	38.963158
"754119"	753.543058	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+K"	38.963158
"1550698"	277.156458	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+K"	38.963158
"310794"	258.178517	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+H+K"	39.970434
"704678"	377.275167	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+H+K"	39.970434
"1458134"	139.081867	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H+K"	39.970434
"249652"	518.420426	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+ACN+H"	42.033826
"1224916"	280.227126	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+ACN+H"	42.033826
"1209164"	140.617201	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+ACN+2H"	43.041102
"203744"	521.35776	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+2Na-H"	44.97116
"643543"	759.55106	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+2Na-H"	44.97116
"1145470"	283.16446	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2Na-H"	44.97116
"187301"	261.182518	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+2Na"	45.978436
"626134"	380.279168	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+2Na"	45.978436
"1129639"	142.085868	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2Na"	45.978436
"1410245"	95.0596706666667	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H+2Na"	46.985712
"1441997"	285.206046	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H+HCOOH"	47.012746
"234609"	266.21554	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+3H2O+2H"	56.04448
"1520483"	299.25809	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+IsoProp+H"	61.06479
"420902"	269.169488	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+Na+K"	61.952376
"781167"	388.266138	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+Na+K"	61.952376
"1677498"	150.072838	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Na+K"	61.952376
"264018"	540.402368	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+ACN+Na"	64.015768
"1239277"	302.209068	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+ACN+Na"	64.015768
"1726342"	302.232593	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+NH4+HCOOH"	64.039293
"1192790"	102.386984666667	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+3Na"	68.967654
"1660132"	307.187988	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Na+HCOOH"	68.994688
"167358"	553.30564	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+2K-H"	76.91904
"606553"	791.49894	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+2K-H"	76.91904
"1093616"	315.11234	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2K-H"	76.91904
"146422"	277.156458	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"2M+2K"	77.926316
"592546"	396.253108	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"3M+2K"	77.926316
"1079244"	158.059808	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2K"	77.926316
"1104799"	317.126892	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2K+H"	78.933592
"1344464"	317.214507	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+DMSO+H"	79.021207
"1006917"	321.253676	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2ACN+H"	83.060376
"1527840"	322.247308	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+IsoProp+Na+H"	84.054008
"994287"	161.130476	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+2ACN+2H"	84.067652
"1595351"	323.161928	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+K+HCOOH"	84.968628
"1417729"	353.193438	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+H+CF3COOH"	115.000138
"1149107"	181.643751	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+3ACN+2H"	125.094202
"1700846"	370.219985	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+NH4+CF3COOH"	132.026685
"1647439"	375.17538	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+Na+CF3COOH"	136.98208
"1583089"	391.14932	"C17427"	"Kanokonol"	"C15H26O2"	"238.1933"	"M+K+CF3COOH"	152.95602
"810174"	476.1894	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M"	0
"975321"	457.17101	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-H2O-H"	-19.01839
"68669"	316.452324	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M-3H"	-3.021828
"505312"	475.182124	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M-3H"	-3.021828
"887123"	157.722524	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-3H"	-3.021828
"2424"	475.182124	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M-2H"	-2.014552
"440642"	713.276824	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M-2H"	-2.014552
"817716"	237.087424	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-2H"	-2.014552
"92782"	951.371524	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M-H"	-1.007276
"532343"	1427.560924	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M-H"	-1.007276
"909670"	475.182124	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-H"	-1.007276
"60268"	968.398071	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M-2H+NH4"	16.019271
"498369"	1444.587471	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M-2H+NH4"	16.019271
"879877"	492.208671	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-2H+NH4"	16.019271
"47048"	973.353466	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M-2H+Na"	20.974666
"486320"	1449.542866	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M-2H+Na"	20.974666
"863391"	497.164066	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-2H+Na"	20.974666
"1633044"	497.164066	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Na-2H"	20.974666
"106774"	493.170463	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M-H+Cl"	33.962126
"548283"	731.265163	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M-H+Cl"	33.962126
"938396"	255.075763	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-H+Cl"	33.962126
"275130"	987.348202	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+Cl"	34.969402
"665364"	1463.537602	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+Cl"	34.969402
"1275580"	511.158802	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Cl"	34.969402
"21415"	989.327406	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M-2H+K"	36.948606
"462070"	1465.516806	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M-2H+K"	36.948606
"832942"	513.138006	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-2H+K"	36.948606
"1556923"	513.138006	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+K-2H"	36.948606
"944685"	521.187594	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-H+HCOOH"	44.998194
"362170"	997.377001	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+HCOOH-H"	44.998201
"346046"	1011.392651	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+Hac-H"	59.013851
"1492894"	535.203251	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Hac-H"	59.013851
"958630"	543.169551	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-H+NaCOOH"	66.980151
"117534"	511.158802	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+2Cl"	69.938804
"558188"	749.253502	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+2Cl"	69.938804
"1031361"	273.064102	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2Cl"	69.938804
"1252033"	555.108285	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Br"	78.918885
"1314483"	557.164272	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Cl+HCOOH"	80.974872
"1327607"	579.146229	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Cl+NaCOOH"	102.956829
"916479"	589.174986	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M-H+CF3COOH"	112.985586
"1290628"	625.151664	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Cl+CF3COOH"	148.962264
"1379739"	441.176724	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H-2H2O"	-35.012676
"1394315"	459.1867	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H-H2O"	-17.0027
"294734"	953.386076	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+H"	1.007276
"687154"	1429.575476	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+H"	1.007276
"1357306"	477.196676	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H"	1.007276
"134571"	477.196676	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+2H"	2.014552
"574132"	715.291376	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+2H"	2.014552
"1040744"	239.101976	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2H"	2.014552
"217762"	318.466876	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+3H"	3.021828
"659029"	477.196676	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+3H"	3.021828
"1177761"	159.737076	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+3H"	3.021828
"439615"	970.412623	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+NH4"	18.033823
"800082"	1446.602023	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+NH4"	18.033823
"1696060"	494.223223	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+NH4"	18.033823
"344702"	485.7099495	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+H+NH4"	19.041099
"736752"	723.8046495	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+H+NH4"	19.041099
"1490941"	247.6152495	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H+NH4"	19.041099
"405611"	975.368018	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+Na"	22.989218
"768431"	1451.557418	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+Na"	22.989218
"1617622"	499.178618	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Na"	22.989218
"326200"	488.187647	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+H+Na"	23.996494
"719351"	726.282347	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+H+Na"	23.996494
"1476091"	250.092947	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H+Na"	23.996494
"1068411"	167.06439	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2H+Na"	25.00377
"1272561"	509.222886	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+CH3OH+H"	33.033486
"392145"	991.341958	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+K"	38.963158
"753748"	1467.531358	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+K"	38.963158
"1549714"	515.152558	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+K"	38.963158
"312971"	496.174617	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+H+K"	39.970434
"705763"	734.269317	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+H+K"	39.970434
"1458973"	258.079917	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H+K"	39.970434
"250252"	994.412626	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+ACN+H"	42.033826
"1224305"	518.223226	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+ACN+H"	42.033826
"1208918"	259.615251	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+ACN+2H"	43.041102
"203243"	997.34996	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+2Na-H"	44.97116
"641348"	1473.53936	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+2Na-H"	44.97116
"1144125"	521.16056	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2Na-H"	44.97116
"186324"	499.178618	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+2Na"	45.978436
"625518"	737.273318	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+2Na"	45.978436
"1127931"	261.083918	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2Na"	45.978436
"1409629"	174.391704	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H+2Na"	46.985712
"1444667"	523.202146	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H+HCOOH"	47.012746
"234968"	504.21164	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+3H2O+2H"	56.04448
"1523759"	537.25419	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+IsoProp+H"	61.06479
"422835"	507.165588	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+Na+K"	61.952376
"783465"	745.260288	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+Na+K"	61.952376
"1679429"	269.070888	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Na+K"	61.952376
"265952"	1016.394568	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+ACN+Na"	64.015768
"1239387"	540.205168	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+ACN+Na"	64.015768
"1727182"	540.228693	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+NH4+HCOOH"	64.039293
"1192171"	181.719018	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+3Na"	68.967654
"1659512"	545.184088	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Na+HCOOH"	68.994688
"167468"	1029.29784	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+2K-H"	76.91904
"609214"	1505.48724	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+2K-H"	76.91904
"1093727"	553.10844	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2K-H"	76.91904
"150543"	515.152558	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"2M+2K"	77.926316
"591564"	753.247258	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"3M+2K"	77.926316
"1078990"	277.057858	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2K"	77.926316
"1108189"	555.122992	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2K+H"	78.933592
"1346397"	555.210607	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+DMSO+H"	79.021207
"1007756"	559.249776	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2ACN+H"	83.060376
"1531230"	560.243408	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+IsoProp+Na+H"	84.054008
"994397"	280.128526	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+2ACN+2H"	84.067652
"1595461"	561.158028	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+K+HCOOH"	84.968628
"1418932"	591.189538	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+H+CF3COOH"	115.000138
"1148124"	300.641801	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+3ACN+2H"	125.094202
"1700955"	608.216085	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+NH4+CF3COOH"	132.026685
"1647549"	613.17148	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+Na+CF3COOH"	136.98208
"1583199"	629.14542	"C17428"	"Kanokoside A"	"C21H32O12"	"476.1894"	"M+K+CF3COOH"	152.95602
"813566"	478.205	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M"	0
"987098"	459.18661	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-H2O-H"	-19.01839
"67686"	317.796057333333	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M-3H"	-3.021828
"513806"	477.197724	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M-3H"	-3.021828
"892701"	158.394390666667	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-3H"	-3.021828
"2899"	477.197724	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M-2H"	-2.014552
"443188"	716.300224	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M-2H"	-2.014552
"825365"	238.095224	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-2H"	-2.014552
"94111"	955.402724	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M-H"	-1.007276
"533183"	1433.607724	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M-H"	-1.007276
"910916"	477.197724	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-H"	-1.007276
"62059"	972.429271	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M-2H+NH4"	16.019271
"502025"	1450.634271	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M-2H+NH4"	16.019271
"878491"	494.224271	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-2H+NH4"	16.019271
"45784"	977.384666	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M-2H+Na"	20.974666
"486558"	1455.589666	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M-2H+Na"	20.974666
"863830"	499.179666	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-2H+Na"	20.974666
"1633559"	499.179666	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Na-2H"	20.974666
"109205"	495.186063	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M-H+Cl"	33.962126
"549122"	734.288563	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M-H+Cl"	33.962126
"936686"	256.083563	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-H+Cl"	33.962126
"282047"	991.379402	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+Cl"	34.969402
"673129"	1469.584402	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+Cl"	34.969402
"1281157"	513.174402	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Cl"	34.969402
"24807"	993.358606	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M-2H+K"	36.948606
"459993"	1471.563606	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M-2H+K"	36.948606
"835607"	515.153606	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-2H+K"	36.948606
"1567849"	515.153606	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+K-2H"	36.948606
"948076"	523.203194	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-H+HCOOH"	44.998194
"369573"	1001.408201	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+HCOOH-H"	44.998201
"356737"	1015.423851	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+Hac-H"	59.013851
"1493782"	537.218851	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Hac-H"	59.013851
"972748"	545.185151	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-H+NaCOOH"	66.980151
"121655"	513.174402	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+2Cl"	69.938804
"564134"	752.276902	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+2Cl"	69.938804
"1031474"	274.071902	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2Cl"	69.938804
"1249959"	557.123885	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Br"	78.918885
"1314593"	559.179872	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Cl+HCOOH"	80.974872
"1326622"	581.161829	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Cl+NaCOOH"	102.956829
"918774"	591.190586	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M-H+CF3COOH"	112.985586
"1298767"	627.167264	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Cl+CF3COOH"	148.962264
"1381557"	443.192324	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H-2H2O"	-35.012676
"1396259"	461.2023	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H-H2O"	-17.0027
"296304"	957.417276	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+H"	1.007276
"689947"	1435.622276	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+H"	1.007276
"1364709"	479.212276	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H"	1.007276
"137962"	479.212276	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+2H"	2.014552
"571326"	718.314776	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+2H"	2.014552
"1041948"	240.109776	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2H"	2.014552
"219820"	319.810609333333	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+3H"	3.021828
"658535"	479.212276	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+3H"	3.021828
"1177025"	160.408942666667	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+3H"	3.021828
"438843"	974.443823	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+NH4"	18.033823
"800565"	1452.648823	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+NH4"	18.033823
"1695439"	496.238823	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+NH4"	18.033823
"344812"	487.7255495	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+H+NH4"	19.041099
"738085"	726.8280495	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+H+NH4"	19.041099
"1491416"	248.6230495	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H+NH4"	19.041099
"407545"	979.399218	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+Na"	22.989218
"767811"	1457.604218	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+Na"	22.989218
"1616883"	501.194218	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Na"	22.989218
"325947"	490.203247	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+H+Na"	23.996494
"721282"	729.305747	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+H+Na"	23.996494
"1476851"	251.100747	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H+Na"	23.996494
"1068194"	167.736256666667	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2H+Na"	25.00377
"1272644"	511.238486	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+CH3OH+H"	33.033486
"392529"	995.373158	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+K"	38.963158
"751049"	1473.578158	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+K"	38.963158
"1554820"	517.168158	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+K"	38.963158
"308099"	498.190217	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+H+K"	39.970434
"706362"	737.292717	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+H+K"	39.970434
"1460553"	259.087717	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H+K"	39.970434
"251177"	998.443826	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+ACN+H"	42.033826
"1223325"	520.238826	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+ACN+H"	42.033826
"1207935"	260.623051	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+ACN+2H"	43.041102
"200807"	1001.38116	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+2Na-H"	44.97116
"641462"	1479.58616	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+2Na-H"	44.97116
"1143871"	523.17616	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2Na-H"	44.97116
"186799"	501.194218	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+2Na"	45.978436
"625628"	740.296718	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+2Na"	45.978436
"1129378"	262.091718	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2Na"	45.978436
"1411567"	175.063570666667	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H+2Na"	46.985712
"1444656"	525.217746	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H+HCOOH"	47.012746
"234717"	506.22724	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+3H2O+2H"	56.04448
"1522167"	539.26979	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+IsoProp+H"	61.06479
"422584"	509.181188	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+Na+K"	61.952376
"783942"	748.283688	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+Na+K"	61.952376
"1678817"	270.078688	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Na+K"	61.952376
"264971"	1020.425768	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+ACN+Na"	64.015768
"1239503"	542.220768	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+ACN+Na"	64.015768
"1727295"	542.244293	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+NH4+HCOOH"	64.039293
"1193863"	182.390884666667	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+3Na"	68.967654
"1660717"	547.199688	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Na+HCOOH"	68.994688
"166484"	1033.32904	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+2K-H"	76.91904
"610054"	1511.53404	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+2K-H"	76.91904
"1095296"	555.12404	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2K-H"	76.91904
"153935"	517.168158	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"2M+2K"	77.926316
"592767"	756.270658	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"3M+2K"	77.926316
"1081288"	278.065658	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2K"	77.926316
"1109394"	557.138592	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2K+H"	78.933592
"1344684"	557.226207	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+DMSO+H"	79.021207
"1016496"	561.265376	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2ACN+H"	83.060376
"1533528"	562.259008	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+IsoProp+Na+H"	84.054008
"999977"	281.136326	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+2ACN+2H"	84.067652
"1599583"	563.173628	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+K+HCOOH"	84.968628
"1424513"	593.205138	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+H+CF3COOH"	115.000138
"1150426"	301.649601	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+3ACN+2H"	125.094202
"1703254"	610.231685	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+NH4+CF3COOH"	132.026685
"1648753"	615.18708	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+Na+CF3COOH"	136.98208
"1583309"	631.16102	"C17429"	"Kanokoside B;Suspensolide F"	"C21H34O12"	"478.205"	"M+K+CF3COOH"	152.95602
"810394"	638.2422	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M"	0
"974475"	619.22381	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-H2O-H"	-19.01839
"66702"	424.487524	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M-3H"	-3.021828
"504075"	637.234924	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M-3H"	-3.021828
"881876"	211.740124	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-3H"	-3.021828
"2644"	637.234924	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M-2H"	-2.014552
"440381"	956.356024	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M-2H"	-2.014552
"825475"	318.113824	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-2H"	-2.014552
"94227"	1275.477124	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M-H"	-1.007276
"532442"	1913.719324	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M-H"	-1.007276
"911353"	637.234924	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-H"	-1.007276
"62816"	1292.503671	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M-2H+NH4"	16.019271
"502242"	1930.745871	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M-2H+NH4"	16.019271
"879368"	654.261471	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-2H+NH4"	16.019271
"46863"	1297.459066	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M-2H+Na"	20.974666
"486833"	1935.701266	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M-2H+Na"	20.974666
"864136"	659.216866	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-2H+Na"	20.974666
"1633141"	659.216866	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Na-2H"	20.974666
"105902"	655.223263	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M-H+Cl"	33.962126
"549109"	974.344363	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M-H+Cl"	33.962126
"934609"	336.102163	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-H+Cl"	33.962126
"279725"	1311.453802	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+Cl"	34.969402
"669959"	1949.696002	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+Cl"	34.969402
"1277987"	673.211602	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Cl"	34.969402
"22730"	1313.433006	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M-2H+K"	36.948606
"458276"	1951.675206	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M-2H+K"	36.948606
"834624"	675.190806	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-2H+K"	36.948606
"1566866"	675.190806	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+K-2H"	36.948606
"948186"	683.240394	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-H+HCOOH"	44.998194
"369683"	1321.482601	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+HCOOH-H"	44.998201
"355754"	1335.498251	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+Hac-H"	59.013851
"1494014"	697.256051	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Hac-H"	59.013851
"961192"	705.222351	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-H+NaCOOH"	66.980151
"115567"	673.211602	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+2Cl"	69.938804
"564244"	992.332702	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+2Cl"	69.938804
"1031584"	354.090502	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2Cl"	69.938804
"1248975"	717.161085	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Br"	78.918885
"1312516"	719.217072	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Cl+HCOOH"	80.974872
"1327825"	741.199029	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Cl+NaCOOH"	102.956829
"919977"	751.227786	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M-H+CF3COOH"	112.985586
"1297784"	787.204464	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Cl+CF3COOH"	148.962264
"1379594"	603.229524	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H-2H2O"	-35.012676
"1397093"	621.2395	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H-H2O"	-17.0027
"295686"	1277.491676	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+H"	1.007276
"691028"	1915.733876	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+H"	1.007276
"1362632"	639.249476	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H"	1.007276
"137344"	639.249476	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+2H"	2.014552
"572165"	958.370576	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+2H"	2.014552
"1042422"	320.128376	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2H"	2.014552
"216890"	426.502076	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+3H"	3.021828
"658644"	639.249476	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+3H"	3.021828
"1177011"	213.754676	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+3H"	3.021828
"437495"	1294.518223	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+NH4"	18.033823
"800313"	1932.760423	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+NH4"	18.033823
"1695550"	656.276023	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+NH4"	18.033823
"345155"	647.7627495	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+H+NH4"	19.041099
"738072"	966.8838495	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+H+NH4"	19.041099
"1490433"	328.6416495	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H+NH4"	19.041099
"406924"	1299.473618	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+Na"	22.989218
"768650"	1937.715818	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+Na"	22.989218
"1617113"	661.231418	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Na"	22.989218
"328241"	650.240447	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+H+Na"	23.996494
"721391"	969.361547	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+H+Na"	23.996494
"1476305"	331.119347	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H+Na"	23.996494
"1068456"	221.08199	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2H+Na"	25.00377
"1272574"	671.275686	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+CH3OH+H"	33.033486
"392354"	1315.447558	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+K"	38.963158
"752984"	1953.689758	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+K"	38.963158
"1554308"	677.205358	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+K"	38.963158
"306022"	658.227417	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+H+K"	39.970434
"706673"	977.348517	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+H+K"	39.970434
"1460297"	339.106317	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H+K"	39.970434
"251088"	1318.518226	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+ACN+H"	42.033826
"1225009"	680.276026	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+ACN+H"	42.033826
"1208045"	340.641651	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+ACN+2H"	43.041102
"202497"	1321.45556	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+2Na-H"	44.97116
"641570"	1959.69776	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+2Na-H"	44.97116
"1143618"	683.21336	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2Na-H"	44.97116
"186543"	661.231418	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+2Na"	45.978436
"625737"	980.352518	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+2Na"	45.978436
"1129610"	342.110318	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2Na"	45.978436
"1412769"	228.409304	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H+2Na"	46.985712
"1443064"	685.254946	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H+HCOOH"	47.012746
"233122"	666.26444	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+3H2O+2H"	56.04448
"1521550"	699.30699	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+IsoProp+H"	61.06479
"421234"	669.218388	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+Na+K"	61.952376
"782232"	988.339488	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+Na+K"	61.952376
"1677832"	350.097288	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Na+K"	61.952376
"263258"	1340.500168	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+ACN+Na"	64.015768
"1238882"	702.257968	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+ACN+Na"	64.015768
"1725945"	702.281493	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+NH4+HCOOH"	64.039293
"1192393"	235.736618	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+3Na"	68.967654
"1660098"	707.236888	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Na+HCOOH"	68.994688
"166959"	1353.40344	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+2K-H"	76.91904
"608705"	1991.64564	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+2K-H"	76.91904
"1094313"	715.16124	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2K-H"	76.91904
"152224"	677.205358	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"2M+2K"	77.926316
"592876"	996.326458	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"3M+2K"	77.926316
"1081763"	358.084258	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2K"	77.926316
"1111327"	717.175792	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2K+H"	78.933592
"1344794"	717.263407	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+DMSO+H"	79.021207
"1016606"	721.302576	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2ACN+H"	83.060376
"1533638"	722.296208	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+IsoProp+Na+H"	84.054008
"1000087"	361.154926	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+2ACN+2H"	84.067652
"1596777"	723.210828	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+K+HCOOH"	84.968628
"1422436"	753.242338	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+H+CF3COOH"	115.000138
"1150536"	381.668201	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+3ACN+2H"	125.094202
"1701178"	770.268885	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+NH4+CF3COOH"	132.026685
"1649107"	775.22428	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+Na+CF3COOH"	136.98208
"1583419"	791.19822	"C17430"	"Kanokoside C"	"C27H42O17"	"638.2422"	"M+K+CF3COOH"	152.95602
"807224"	624.2629	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M"	0
"974923"	605.24451	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-H2O-H"	-19.01839
"66812"	415.167990666667	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M-3H"	-3.021828
"504185"	623.255624	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M-3H"	-3.021828
"881986"	207.080357333333	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-3H"	-3.021828
"568"	623.255624	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M-2H"	-2.014552
"440610"	935.387074	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M-2H"	-2.014552
"825585"	311.124174	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-2H"	-2.014552
"94049"	1247.518524	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M-H"	-1.007276
"530607"	1871.781424	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M-H"	-1.007276
"911349"	623.255624	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-H"	-1.007276
"62737"	1264.545071	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M-2H+NH4"	16.019271
"502782"	1888.807971	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M-2H+NH4"	16.019271
"877980"	640.282171	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-2H+NH4"	16.019271
"46485"	1269.500466	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M-2H+Na"	20.974666
"486048"	1893.763366	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M-2H+Na"	20.974666
"864098"	645.237566	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-2H+Na"	20.974666
"1632644"	645.237566	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Na-2H"	20.974666
"106741"	641.243963	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M-H+Cl"	33.962126
"548733"	953.375413	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M-H+Cl"	33.962126
"942490"	329.112513	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-H+Cl"	33.962126
"279835"	1283.495202	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+Cl"	34.969402
"670069"	1907.758102	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+Cl"	34.969402
"1278097"	659.232302	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Cl"	34.969402
"19560"	1285.474406	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M-2H+K"	36.948606
"456933"	1909.737306	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M-2H+K"	36.948606
"835828"	661.211506	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-2H+K"	36.948606
"1568069"	661.211506	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+K-2H"	36.948606
"948296"	669.261094	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-H+HCOOH"	44.998194
"370886"	1293.524001	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+HCOOH-H"	44.998201
"356957"	1307.539651	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+Hac-H"	59.013851
"1494124"	683.276751	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Hac-H"	59.013851
"962395"	691.243051	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-H+NaCOOH"	66.980151
"115677"	659.232302	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+2Cl"	69.938804
"563989"	971.363752	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+2Cl"	69.938804
"1034974"	347.100852	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2Cl"	69.938804
"1246898"	703.181785	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Br"	78.918885
"1311532"	705.237772	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Cl+HCOOH"	80.974872
"1324655"	727.219729	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Cl+NaCOOH"	102.956829
"916806"	737.248486	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M-H+CF3COOH"	112.985586
"1291693"	773.225164	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Cl+CF3COOH"	148.962264
"1382261"	589.250224	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H-2H2O"	-35.012676
"1397572"	607.2602	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H-H2O"	-17.0027
"296891"	1249.533076	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+H"	1.007276
"689680"	1873.795976	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+H"	1.007276
"1362378"	625.270176	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H"	1.007276
"135993"	625.270176	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+2H"	2.014552
"573369"	937.401626	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+2H"	2.014552
"1044355"	313.138726	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2H"	2.014552
"217000"	417.182542666667	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+3H"	3.021828
"659114"	625.270176	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+3H"	3.021828
"1177608"	209.094909333333	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+3H"	3.021828
"438332"	1266.559623	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+NH4"	18.033823
"799692"	1890.822523	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+NH4"	18.033823
"1695294"	642.296723	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+NH4"	18.033823
"343928"	633.7834495	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+H+NH4"	19.041099
"736718"	945.9148995	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+H+NH4"	19.041099
"1492123"	321.6519995	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H+NH4"	19.041099
"407278"	1271.515018	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+Na"	22.989218
"768640"	1895.777918	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+Na"	22.989218
"1616493"	647.252118	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Na"	22.989218
"327255"	636.261147	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+H+Na"	23.996494
"720406"	948.392597	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+H+Na"	23.996494
"1476415"	324.129697	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H+Na"	23.996494
"1067716"	216.422223333333	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2H+Na"	25.00377
"1272394"	657.296386	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+CH3OH+H"	33.033486
"392627"	1287.488958	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+K"	38.963158
"752364"	1911.751858	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+K"	38.963158
"1554176"	663.226058	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+K"	38.963158
"306132"	644.248117	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+H+K"	39.970434
"706581"	956.379567	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+H+K"	39.970434
"1461010"	332.116667	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H+K"	39.970434
"250950"	1290.559626	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+ACN+H"	42.033826
"1223785"	666.296726	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+ACN+H"	42.033826
"1208154"	333.652001	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+ACN+2H"	43.041102
"202122"	1293.49696	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+2Na-H"	44.97116
"642045"	1917.75986	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+2Na-H"	44.97116
"1145553"	669.23406	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2Na-H"	44.97116
"186290"	647.252118	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+2Na"	45.978436
"626941"	959.383568	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+2Na"	45.978436
"1130330"	335.120668	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2Na"	45.978436
"1412514"	223.749537333333	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H+2Na"	46.985712
"1444632"	671.275646	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H+HCOOH"	47.012746
"234692"	652.28514	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+3H2O+2H"	56.04448
"1522752"	685.32769	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+IsoProp+H"	61.06479
"423171"	655.239088	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+Na+K"	61.952376
"783435"	967.370538	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+Na+K"	61.952376
"1679766"	343.107638	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Na+K"	61.952376
"265192"	1312.541568	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+ACN+Na"	64.015768
"1238994"	688.278668	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+ACN+Na"	64.015768
"1725692"	688.302193	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+NH4+HCOOH"	64.039293
"1192869"	231.076851333333	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+3Na"	68.967654
"1660208"	693.257588	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Na+HCOOH"	68.994688
"167069"	1325.44484	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+2K-H"	76.91904
"611003"	1949.70774	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+2K-H"	76.91904
"1095152"	701.18194	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2K-H"	76.91904
"155250"	663.226058	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"2M+2K"	77.926316
"595173"	975.357508	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"3M+2K"	77.926316
"1081508"	351.094608	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2K"	77.926316
"1111801"	703.196492	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2K+H"	78.933592
"1345997"	703.284107	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+DMSO+H"	79.021207
"1017809"	707.323276	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2ACN+H"	83.060376
"1533748"	708.316908	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+IsoProp+Na+H"	84.054008
"1001290"	354.165276	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+2ACN+2H"	84.067652
"1596887"	709.231528	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+K+HCOOH"	84.968628
"1423639"	739.263038	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+H+CF3COOH"	115.000138
"1151739"	374.678551	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+3ACN+2H"	125.094202
"1702381"	756.289585	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+NH4+CF3COOH"	132.026685
"1648245"	761.24498	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+Na+CF3COOH"	136.98208
"1583529"	777.21892	"C17431"	"Kanokoside D"	"C27H44O16"	"624.2629"	"M+K+CF3COOH"	152.95602
"810614"	858.5692	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M"	0
"975397"	839.55081	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H2O-H"	-19.01839
"70202"	571.372190666667	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-3H"	-3.021828
"505388"	857.561924	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-3H"	-3.021828
"885376"	285.182457333333	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-3H"	-3.021828
"678"	857.561924	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H"	-2.014552
"441327"	1286.846524	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H"	-2.014552
"825695"	428.277324	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H"	-2.014552
"87875"	1716.131124	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-H"	-1.007276
"530717"	2574.700324	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-H"	-1.007276
"910594"	857.561924	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H"	-1.007276
"62428"	1733.157671	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+NH4"	16.019271
"502388"	2591.726871	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+NH4"	16.019271
"877240"	874.588471	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+NH4"	16.019271
"45260"	1738.113066	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+Na"	20.974666
"486036"	2596.682266	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+Na"	20.974666
"863473"	879.543866	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+Na"	20.974666
"1631779"	879.543866	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na-2H"	20.974666
"106852"	875.550263	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-H+Cl"	33.962126
"547385"	1304.834863	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-H+Cl"	33.962126
"941628"	446.265663	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+Cl"	33.962126
"279824"	1752.107802	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Cl"	34.969402
"667991"	2610.677002	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Cl"	34.969402
"1281487"	893.538602	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl"	34.969402
"21857"	1754.087006	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+K"	36.948606
"459230"	2612.656206	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+K"	36.948606
"833752"	895.517806	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+K"	36.948606
"1564899"	895.517806	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K-2H"	36.948606
"945490"	903.567394	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+HCOOH"	44.998194
"369903"	1762.136601	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+HCOOH-H"	44.998201
"352692"	1776.152251	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Hac-H"	59.013851
"1501524"	917.583051	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Hac-H"	59.013851
"961410"	925.549351	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+NaCOOH"	66.980151
"115787"	893.538602	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Cl"	69.938804
"564099"	1322.823202	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Cl"	69.938804
"1033991"	464.254002	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Cl"	69.938804
"1245915"	937.488085	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Br"	78.918885
"1311642"	939.544072	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+HCOOH"	80.974872
"1324765"	961.526029	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+NaCOOH"	102.956829
"915093"	971.554786	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+CF3COOH"	112.985586
"1292532"	1007.531464	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+CF3COOH"	148.962264
"1380917"	823.556524	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H-2H2O"	-35.012676
"1397677"	841.5665	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H-H2O"	-17.0027
"295912"	1718.145676	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H"	1.007276
"690278"	2576.714876	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H"	1.007276
"1363947"	859.576476	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H"	1.007276
"136103"	859.576476	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2H"	2.014552
"571292"	1288.861076	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2H"	2.014552
"1045558"	430.291876	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2H"	2.014552
"213830"	573.386742666667	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+3H"	3.021828
"653755"	859.576476	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+3H"	3.021828
"1176257"	287.197009333333	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3H"	3.021828
"437711"	1735.172223	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+NH4"	18.033823
"799681"	2593.741423	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+NH4"	18.033823
"1695768"	876.603023	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4"	18.033823
"343311"	868.0897495	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+NH4"	19.041099
"736828"	1297.3743495	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+NH4"	19.041099
"1491255"	438.8051495	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+NH4"	19.041099
"406781"	1740.127618	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Na"	22.989218
"768502"	2598.696818	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Na"	22.989218
"1616605"	881.558418	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na"	22.989218
"326273"	870.567447	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+Na"	23.996494
"718330"	1299.852047	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+Na"	23.996494
"1474340"	441.282847	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+Na"	23.996494
"1066126"	294.524323333333	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2H+Na"	25.00377
"1270845"	891.602686	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+CH3OH+H"	33.033486
"391366"	1756.101558	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+K"	38.963158
"752113"	2614.670758	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+K"	38.963158
"1553071"	897.532358	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K"	38.963158
"304056"	878.554417	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+K"	39.970434
"706693"	1307.839017	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+K"	39.970434
"1460838"	449.269817	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+K"	39.970434
"250897"	1759.172226	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+ACN+H"	42.033826
"1223289"	900.603026	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+H"	42.033826
"1207537"	450.805151	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+2H"	43.041102
"203318"	1762.10956	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Na-H"	44.97116
"641790"	2620.67876	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Na-H"	44.97116
"1142743"	903.54036	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Na-H"	44.97116
"184940"	881.558418	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Na"	45.978436
"626320"	1310.843018	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Na"	45.978436
"1129097"	452.273818	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Na"	45.978436
"1412622"	301.851637333333	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+2Na"	46.985712
"1442915"	905.581946	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+HCOOH"	47.012746
"233341"	886.59144	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+3H2O+2H"	56.04448
"1519577"	919.63399	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+IsoProp+H"	61.06479
"421452"	889.545388	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Na+K"	61.952376
"784758"	1318.829988	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Na+K"	61.952376
"1679143"	460.260788	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+K"	61.952376
"264202"	1781.154168	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+ACN+Na"	64.015768
"1239833"	922.584968	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+Na"	64.015768
"1726896"	922.608493	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4+HCOOH"	64.039293
"1192976"	309.178951333333	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3Na"	68.967654
"1664692"	927.563888	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+HCOOH"	68.994688
"169732"	1794.05744	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2K-H"	76.91904
"610385"	2652.62664	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2K-H"	76.91904
"1097450"	935.48824	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K-H"	76.91904
"155605"	897.532358	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2K"	77.926316
"595163"	1326.816958	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2K"	77.926316
"1078702"	468.247758	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K"	77.926316
"1113004"	937.502792	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K+H"	78.933592
"1346107"	937.590407	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+DMSO+H"	79.021207
"1016826"	941.629576	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2ACN+H"	83.060376
"1533858"	942.623208	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+IsoProp+Na+H"	84.054008
"1003587"	471.318426	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2ACN+2H"	84.067652
"1596997"	943.537828	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K+HCOOH"	84.968628
"1424843"	973.569338	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+CF3COOH"	115.000138
"1151849"	491.831701	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3ACN+2H"	125.094202
"1700305"	990.595885	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4+CF3COOH"	132.026685
"1647625"	995.55128	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+CF3COOH"	136.98208
"1583639"	1011.52522	"C17432"	"all-trans-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K+CF3COOH"	152.95602
"807444"	324.3756	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M"	0
"975873"	305.35721	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-H2O-H"	-19.01839
"70312"	215.243124	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M-3H"	-3.021828
"504769"	323.368324	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M-3H"	-3.021828
"885486"	107.117924	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-3H"	-3.021828
"663"	323.368324	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M-2H"	-2.014552
"441804"	485.556124	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M-2H"	-2.014552
"825805"	161.180524	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-2H"	-2.014552
"87985"	647.743924	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M-H"	-1.007276
"530827"	972.119524	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M-H"	-1.007276
"910946"	323.368324	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-H"	-1.007276
"62168"	664.770471	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M-2H+NH4"	16.019271
"501971"	989.146071	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M-2H+NH4"	16.019271
"879166"	340.394871	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-2H+NH4"	16.019271
"45364"	669.725866	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M-2H+Na"	20.974666
"485894"	994.101466	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M-2H+Na"	20.974666
"861997"	345.350266	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-2H+Na"	20.974666
"1632984"	345.350266	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Na-2H"	20.974666
"107327"	341.356663	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M-H+Cl"	33.962126
"548341"	503.544463	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M-H+Cl"	33.962126
"941738"	179.168863	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-H+Cl"	33.962126
"274588"	683.720602	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+Cl"	34.969402
"662147"	1008.096202	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+Cl"	34.969402
"1275037"	359.345002	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Cl"	34.969402
"25246"	685.699806	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M-2H+K"	36.948606
"459340"	1010.075406	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M-2H+K"	36.948606
"836048"	361.324206	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-2H+K"	36.948606
"1558445"	361.324206	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+K-2H"	36.948606
"946329"	369.373794	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-H+HCOOH"	44.998194
"362356"	693.749401	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+HCOOH-H"	44.998201
"346359"	707.765051	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+Hac-H"	59.013851
"1492996"	383.389451	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Hac-H"	59.013851
"962614"	391.355751	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-H+NaCOOH"	66.980151
"115897"	359.345002	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+2Cl"	69.938804
"562752"	521.532802	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+2Cl"	69.938804
"1036290"	197.157202	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2Cl"	69.938804
"1248211"	403.294485	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Br"	78.918885
"1312846"	405.350472	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Cl+HCOOH"	80.974872
"1324875"	427.332429	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Cl+NaCOOH"	102.956829
"914839"	437.361186	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M-H+CF3COOH"	112.985586
"1289480"	473.337864	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Cl+CF3COOH"	148.962264
"1382111"	289.362924	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H-2H2O"	-35.012676
"1395596"	307.3729	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H-H2O"	-17.0027
"296744"	649.758476	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+H"	1.007276
"689535"	974.134076	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+H"	1.007276
"1362231"	325.382876	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H"	1.007276
"137306"	325.382876	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+2H"	2.014552
"571402"	487.570676	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+2H"	2.014552
"1046761"	163.195076	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2H"	2.014552
"214303"	217.257676	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+3H"	3.021828
"654229"	325.382876	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+3H"	3.021828
"1176367"	109.132476	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+3H"	3.021828
"439034"	666.785023	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+NH4"	18.033823
"799549"	991.160623	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+NH4"	18.033823
"1695515"	342.409423	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+NH4"	18.033823
"343057"	333.8961495	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+H+NH4"	19.041099
"737302"	496.0839495	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+H+NH4"	19.041099
"1492215"	171.7083495	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H+NH4"	19.041099
"407864"	671.740418	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+Na"	22.989218
"769342"	996.116018	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+Na"	22.989218
"1616594"	347.364818	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Na"	22.989218
"327476"	336.373847	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+H+Na"	23.996494
"720627"	498.561647	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+H+Na"	23.996494
"1475786"	174.186047	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H+Na"	23.996494
"1066600"	116.45979	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2H+Na"	25.00377
"1271321"	357.409086	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+CH3OH+H"	33.033486
"391598"	687.714358	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+K"	38.963158
"752951"	1012.089958	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+K"	38.963158
"1553545"	363.338758	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+K"	38.963158
"305259"	344.360817	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+H+K"	39.970434
"703522"	506.548617	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+H+K"	39.970434
"1459045"	182.173017	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H+K"	39.970434
"249586"	690.785026	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+ACN+H"	42.033826
"1221936"	366.409426	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+ACN+H"	42.033826
"1207279"	183.708351	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+ACN+2H"	43.041102
"200878"	693.72236	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+2Na-H"	44.97116
"639348"	1018.09796	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+2Na-H"	44.97116
"1140667"	369.34676	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2Na-H"	44.97116
"183956"	347.364818	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+2Na"	45.978436
"624971"	509.552618	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+2Na"	45.978436
"1128114"	185.177018	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2Na"	45.978436
"1409814"	123.787104	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H+2Na"	46.985712
"1440105"	371.388346	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H+HCOOH"	47.012746
"231625"	352.39784	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+3H2O+2H"	56.04448
"1519687"	385.44039	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+IsoProp+H"	61.06479
"419739"	355.351788	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+Na+K"	61.952376
"783287"	517.539588	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+Na+K"	61.952376
"1679252"	193.163988	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Na+K"	61.952376
"265042"	712.766968	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+ACN+Na"	64.015768
"1238114"	388.391368	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+ACN+Na"	64.015768
"1726270"	388.414893	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+NH4+HCOOH"	64.039293
"1191260"	131.114418	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+3Na"	68.967654
"1660428"	393.370288	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Na+HCOOH"	68.994688
"165102"	725.67024	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+2K-H"	76.91904
"607942"	1050.04584	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+2K-H"	76.91904
"1091360"	401.29464	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2K-H"	76.91904
"148179"	363.338758	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"2M+2K"	77.926316
"592113"	525.526558	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"3M+2K"	77.926316
"1082091"	201.150958	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2K"	77.926316
"1108739"	403.309192	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2K+H"	78.933592
"1342937"	403.396807	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+DMSO+H"	79.021207
"1013656"	407.435976	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2ACN+H"	83.060376
"1530688"	408.429608	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+IsoProp+Na+H"	84.054008
"998230"	204.221626	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+2ACN+2H"	84.067652
"1596013"	409.344228	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+K+HCOOH"	84.968628
"1422766"	439.375738	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+H+CF3COOH"	115.000138
"1153052"	224.734901	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+3ACN+2H"	125.094202
"1701508"	456.402285	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+NH4+CF3COOH"	132.026685
"1645912"	461.35768	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+Na+CF3COOH"	136.98208
"1573908"	477.33162	"C17433"	"Tricosane"	"C23H48"	"324.3756"	"M+K+CF3COOH"	152.95602
"807554"	586.3188	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M"	0
"975619"	567.30041	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H2O-H"	-19.01839
"70422"	389.871924	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-3H"	-3.021828
"503785"	585.311524	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-3H"	-3.021828
"885595"	194.432324	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-3H"	-3.021828
"1261"	585.311524	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H"	-2.014552
"441549"	878.470924	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H"	-2.014552
"823728"	292.152124	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H"	-2.014552
"88095"	1171.630324	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-H"	-1.007276
"530937"	1757.949124	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-H"	-1.007276
"910691"	585.311524	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H"	-1.007276
"62158"	1188.656871	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+NH4"	16.019271
"502446"	1774.975671	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+NH4"	16.019271
"879685"	602.338071	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+NH4"	16.019271
"45838"	1193.612266	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+Na"	20.974666
"486978"	1779.931066	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+Na"	20.974666
"862105"	607.293466	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+Na"	20.974666
"1632611"	607.293466	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na-2H"	20.974666
"109261"	603.299863	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-H+Cl"	33.962126
"549786"	896.459263	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-H+Cl"	33.962126
"942710"	310.140463	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+Cl"	33.962126
"273604"	1207.607002	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Cl"	34.969402
"668211"	1793.925802	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Cl"	34.969402
"1275147"	621.288202	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl"	34.969402
"25356"	1209.586206	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M-2H+K"	36.948606
"457868"	1795.905006	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M-2H+K"	36.948606
"839437"	623.267406	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-2H+K"	36.948606
"1560742"	623.267406	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K-2H"	36.948606
"947533"	631.316994	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+HCOOH"	44.998194
"365746"	1217.635801	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+HCOOH-H"	44.998201
"347806"	1231.651451	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Hac-H"	59.013851
"1493267"	645.332651	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Hac-H"	59.013851
"963818"	653.298951	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+NaCOOH"	66.980151
"117100"	621.288202	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Cl"	69.938804
"565415"	914.447602	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Cl"	69.938804
"1035671"	328.128802	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Cl"	69.938804
"1252695"	665.237685	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Br"	78.918885
"1316236"	667.293672	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+HCOOH"	80.974872
"1324985"	689.275629	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+NaCOOH"	102.956829
"913856"	699.304386	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M-H+CF3COOH"	112.985586
"1291658"	735.281064	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Cl+CF3COOH"	148.962264
"1379667"	551.306124	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H-2H2O"	-35.012676
"1391696"	569.3161	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H-H2O"	-17.0027
"298193"	1173.644876	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H"	1.007276
"691225"	1759.963676	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H"	1.007276
"1361249"	587.326076	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H"	1.007276
"136323"	587.326076	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2H"	2.014552
"572606"	880.485476	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2H"	2.014552
"1045778"	294.166676	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2H"	2.014552
"214778"	391.886476	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+3H"	3.021828
"653976"	587.326076	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+3H"	3.021828
"1175384"	196.446876	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+3H"	3.021828
"438292"	1190.671423	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+NH4"	18.033823
"800991"	1776.990223	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+NH4"	18.033823
"1696349"	604.352623	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4"	18.033823
"344987"	595.8393495	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+NH4"	19.041099
"736314"	888.9987495	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+NH4"	19.041099
"1491228"	302.6799495	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+NH4"	19.041099
"407607"	1195.626818	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Na"	22.989218
"768722"	1781.945618	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Na"	22.989218
"1617066"	609.308018	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na"	22.989218
"327585"	598.317047	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+Na"	23.996494
"720372"	891.476447	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+Na"	23.996494
"1475287"	305.157647	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+Na"	23.996494
"1067562"	203.77419	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2H+Na"	25.00377
"1272199"	619.352286	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+CH3OH+H"	33.033486
"392666"	1211.600758	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+K"	38.963158
"753425"	1797.919558	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+K"	38.963158
"1553655"	625.281958	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K"	38.963158
"307556"	606.304017	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+H+K"	39.970434
"705455"	899.463417	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+H+K"	39.970434
"1459276"	313.144617	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+K"	39.970434
"249698"	1214.671426	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+ACN+H"	42.033826
"1223502"	628.352626	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+H"	42.033826
"1207389"	314.679951	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+2H"	43.041102
"201353"	1217.60876	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Na-H"	44.97116
"640187"	1803.92756	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Na-H"	44.97116
"1143693"	631.28996	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Na-H"	44.97116
"185525"	609.308018	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2Na"	45.978436
"625444"	902.467418	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2Na"	45.978436
"1127494"	316.148618	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2Na"	45.978436
"1411019"	211.101504	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+2Na"	46.985712
"1442405"	633.331546	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+HCOOH"	47.012746
"232465"	614.34104	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+3H2O+2H"	56.04448
"1520892"	647.38359	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+IsoProp+H"	61.06479
"422401"	617.294988	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+Na+K"	61.952376
"783763"	910.454388	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+Na+K"	61.952376
"1680091"	324.135588	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+K"	61.952376
"265151"	1236.653368	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+ACN+Na"	64.015768
"1239316"	650.334568	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+ACN+Na"	64.015768
"1726867"	650.358093	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4+HCOOH"	64.039293
"1191734"	218.428818	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+3Na"	68.967654
"1657258"	655.313488	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+HCOOH"	68.994688
"166305"	1249.55664	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2K-H"	76.91904
"606958"	1835.87544	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2K-H"	76.91904
"1090377"	663.23784	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K-H"	76.91904
"145374"	625.281958	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"2M+2K"	77.926316
"595503"	918.441358	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"3M+2K"	77.926316
"1081108"	332.122558	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K"	77.926316
"1107756"	665.252392	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2K+H"	78.933592
"1343047"	665.340007	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+DMSO+H"	79.021207
"1015952"	669.379176	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2ACN+H"	83.060376
"1532985"	670.372808	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+IsoProp+Na+H"	84.054008
"1000527"	335.193226	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+2ACN+2H"	84.067652
"1596123"	671.287428	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K+HCOOH"	84.968628
"1422876"	701.318938	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+H+CF3COOH"	115.000138
"1153162"	355.706501	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+3ACN+2H"	125.094202
"1699432"	718.345485	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+NH4+CF3COOH"	132.026685
"1648209"	723.30088	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+Na+CF3COOH"	136.98208
"1574018"	739.27482	"C17434"	"di-transpoly-cis-Hexaprenyl diphosphate;ditranstricis-Hexaprenyl diphosphate"	"C30H52O7P2"	"586.3188"	"M+K+CF3COOH"	152.95602
"816781"	518.2562	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M"	0
"987758"	499.23781	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H2O-H"	-19.01839
"77098"	344.496857333333	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-3H"	-3.021828
"511187"	517.248924	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-3H"	-3.021828
"885708"	171.744790666667	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-3H"	-3.021828
"8663"	517.248924	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H"	-2.014552
"448224"	776.377024	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H"	-2.014552
"824932"	258.120824	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H"	-2.014552
"88205"	1035.505124	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-H"	-1.007276
"530683"	1553.761324	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-H"	-1.007276
"908866"	517.248924	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H"	-1.007276
"59962"	1052.531671	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H+NH4"	16.019271
"500981"	1570.787871	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H+NH4"	16.019271
"879388"	534.275471	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H+NH4"	16.019271
"44859"	1057.487066	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H+Na"	20.974666
"484781"	1575.743266	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H+Na"	20.974666
"863673"	539.230866	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H+Na"	20.974666
"1633649"	539.230866	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na-2H"	20.974666
"105364"	535.237263	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-H+Cl"	33.962126
"547838"	794.365363	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-H+Cl"	33.962126
"940621"	276.109163	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+Cl"	33.962126
"271892"	1071.481802	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Cl"	34.969402
"665041"	1589.738002	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+Cl"	34.969402
"1280724"	553.225602	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl"	34.969402
"25466"	1073.461006	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M-2H+K"	36.948606
"459559"	1591.717206	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M-2H+K"	36.948606
"840641"	555.204806	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-2H+K"	36.948606
"1563041"	555.204806	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K-2H"	36.948606
"949100"	563.254394	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+HCOOH"	44.998194
"368046"	1081.510601	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+HCOOH-H"	44.998201
"353022"	1095.526251	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Hac-H"	59.013851
"1504041"	577.270051	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Hac-H"	59.013851
"962470"	585.236351	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+NaCOOH"	66.980151
"117210"	553.225602	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2Cl"	69.938804
"565608"	812.353702	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2Cl"	69.938804
"1036960"	294.097502	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2Cl"	69.938804
"1251713"	597.175085	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Br"	78.918885
"1314160"	599.231072	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl+HCOOH"	80.974872
"1327282"	621.213029	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl+NaCOOH"	102.956829
"918340"	631.241786	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M-H+CF3COOH"	112.985586
"1291768"	667.218464	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Cl+CF3COOH"	148.962264
"1372116"	483.243524	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H-2H2O"	-35.012676
"1388520"	501.2535	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H-H2O"	-17.0027
"296601"	1037.519676	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H"	1.007276
"686104"	1555.775876	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H"	1.007276
"1359173"	519.263476	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H"	1.007276
"134249"	519.263476	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2H"	2.014552
"577457"	778.391576	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2H"	2.014552
"1046985"	260.135376	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2H"	2.014552
"215620"	346.511409333333	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+3H"	3.021828
"650072"	519.263476	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+3H"	3.021828
"1169290"	173.759342666667	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+3H"	3.021828
"434754"	1054.546223	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+NH4"	18.033823
"795750"	1572.802423	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+NH4"	18.033823
"1693173"	536.290023	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+NH4"	18.033823
"344739"	527.7767495	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H+NH4"	19.041099
"737522"	786.9048495	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H+NH4"	19.041099
"1491827"	268.6486495	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+NH4"	19.041099
"407229"	1059.501618	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Na"	22.989218
"768471"	1577.757818	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+Na"	22.989218
"1618192"	541.245418	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na"	22.989218
"326602"	530.254447	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H+Na"	23.996494
"718657"	789.382547	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H+Na"	23.996494
"1474300"	271.126347	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+Na"	23.996494
"1067184"	181.086656666667	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2H+Na"	25.00377
"1272671"	551.289686	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+CH3OH+H"	33.033486
"391810"	1075.475558	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+K"	38.963158
"753943"	1593.731758	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+K"	38.963158
"1555584"	557.219358	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K"	38.963158
"308759"	538.241417	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+H+K"	39.970434
"706658"	797.369517	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+H+K"	39.970434
"1460116"	279.113317	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+K"	39.970434
"250175"	1078.546226	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+ACN+H"	42.033826
"1222885"	560.290026	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+ACN+H"	42.033826
"1207861"	280.648651	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+ACN+2H"	43.041102
"200731"	1081.48356	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2Na-H"	44.97116
"641390"	1599.73976	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2Na-H"	44.97116
"1144897"	563.22736	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2Na-H"	44.97116
"185634"	541.245418	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2Na"	45.978436
"625193"	800.373518	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2Na"	45.978436
"1128699"	282.117318	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2Na"	45.978436
"1411859"	188.413970666667	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+2Na"	46.985712
"1442881"	565.268946	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+HCOOH"	47.012746
"232941"	546.27844	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+3H2O+2H"	56.04448
"1520275"	579.32099	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+IsoProp+H"	61.06479
"421419"	549.232388	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+Na+K"	61.952376
"783508"	808.360488	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+Na+K"	61.952376
"1680200"	290.104288	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na+K"	61.952376
"266357"	1100.528168	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+ACN+Na"	64.015768
"1240034"	582.271968	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+ACN+Na"	64.015768
"1726857"	582.295493	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+NH4+HCOOH"	64.039293
"1193669"	195.741284666667	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+3Na"	68.967654
"1654086"	587.250888	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na+HCOOH"	68.994688
"165322"	1113.43144	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2K-H"	76.91904
"603788"	1631.68764	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2K-H"	76.91904
"1090485"	595.17524	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2K-H"	76.91904
"146209"	557.219358	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"2M+2K"	77.926316
"587957"	816.347458	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"3M+2K"	77.926316
"1072469"	298.091258	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2K"	77.926316
"1108960"	597.189792	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2K+H"	78.933592
"1342063"	597.277407	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+DMSO+H"	79.021207
"1010593"	601.316576	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2ACN+H"	83.060376
"1530906"	602.310208	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+IsoProp+Na+H"	84.054008
"996262"	301.161926	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+2ACN+2H"	84.067652
"1594044"	603.224828	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K+HCOOH"	84.968628
"1422985"	633.256338	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+H+CF3COOH"	115.000138
"1154366"	321.675201	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+3ACN+2H"	125.094202
"1700636"	650.282885	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+NH4+CF3COOH"	132.026685
"1646132"	655.23828	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+Na+CF3COOH"	136.98208
"1574128"	671.21222	"C17435"	"di-transpoly-cis-Pentaprenyl diphosphate;ditransdicis-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Pentaprenyl diphosphate;2-cis6-cis10-trans14-trans-Geranylfarnesyl diphosphate"	"C25H44O7P2"	"518.2562"	"M+K+CF3COOH"	152.95602
"807774"	654.3814	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M"	0
"974746"	635.36301	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H2O-H"	-19.01839
"70642"	435.246990666667	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-3H"	-3.021828
"503883"	653.374124	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-3H"	-3.021828
"880835"	217.119857333333	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-3H"	-3.021828
"15210"	653.374124	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H"	-2.014552
"450521"	980.564824	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H"	-2.014552
"825042"	326.183424	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H"	-2.014552
"88315"	1307.755524	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-H"	-1.007276
"531157"	1962.136924	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-H"	-1.007276
"908981"	653.374124	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H"	-1.007276
"61165"	1324.782071	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H+NH4"	16.019271
"500001"	1979.163471	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H+NH4"	16.019271
"878045"	670.400671	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H+NH4"	16.019271
"45699"	1329.737466	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H+Na"	20.974666
"486881"	1984.118866	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H+Na"	20.974666
"863175"	675.356066	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H+Na"	20.974666
"1632218"	675.356066	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na-2H"	20.974666
"105466"	671.362463	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-H+Cl"	33.962126
"549162"	998.553163	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-H+Cl"	33.962126
"941703"	344.171763	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+Cl"	33.962126
"278198"	1343.732202	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Cl"	34.969402
"669525"	1998.113602	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+Cl"	34.969402
"1284114"	689.350802	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl"	34.969402
"25576"	1345.711406	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M-2H+K"	36.948606
"459669"	2000.092806	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M-2H+K"	36.948606
"840751"	691.330006	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-2H+K"	36.948606
"1564244"	691.330006	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K-2H"	36.948606
"949210"	699.379594	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+HCOOH"	44.998194
"371436"	1353.761001	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+HCOOH-H"	44.998201
"353132"	1367.776651	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Hac-H"	59.013851
"1504151"	713.395251	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Hac-H"	59.013851
"962944"	721.361551	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+NaCOOH"	66.980151
"116227"	689.350802	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2Cl"	69.938804
"565476"	1016.541502	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2Cl"	69.938804
"1034794"	362.160102	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2Cl"	69.938804
"1251822"	733.300285	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Br"	78.918885
"1308802"	735.356272	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl+HCOOH"	80.974872
"1324111"	757.338229	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl+NaCOOH"	102.956829
"917357"	767.366986	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M-H+CF3COOH"	112.985586
"1291878"	803.343664	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Cl+CF3COOH"	148.962264
"1371133"	619.368724	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H-2H2O"	-35.012676
"1387537"	637.3787	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H-H2O"	-17.0027
"298520"	1309.770076	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H"	1.007276
"691122"	1964.151476	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H"	1.007276
"1363659"	655.388676	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H"	1.007276
"138006"	655.388676	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2H"	2.014552
"578663"	982.579376	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2H"	2.014552
"1047095"	328.197976	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2H"	2.014552
"212810"	437.261542666667	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+3H"	3.021828
"656384"	655.388676	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+3H"	3.021828
"1177064"	219.134409333333	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+3H"	3.021828
"439449"	1326.796623	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+NH4"	18.033823
"801173"	1981.178023	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+NH4"	18.033823
"1696776"	672.415223	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+NH4"	18.033823
"345499"	663.9019495	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H+NH4"	19.041099
"738167"	991.0926495	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H+NH4"	19.041099
"1492306"	336.7112495	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+NH4"	19.041099
"408274"	1331.752018	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Na"	22.989218
"766394"	1986.133418	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+Na"	22.989218
"1615586"	677.370618	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na"	22.989218
"329513"	666.379647	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H+Na"	23.996494
"719497"	993.570347	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H+Na"	23.996494
"1476517"	339.188947	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+Na"	23.996494
"1067656"	226.461723333333	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2H+Na"	25.00377
"1266416"	687.414886	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+CH3OH+H"	33.033486
"391556"	1347.725958	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+K"	38.963158
"751458"	2002.107358	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+K"	38.963158
"1555552"	693.344558	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K"	38.963158
"313940"	674.366617	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+H+K"	39.970434
"705675"	1001.557317	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+H+K"	39.970434
"1458040"	347.175917	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+K"	39.970434
"249557"	1350.796626	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+ACN+H"	42.033826
"1218625"	696.415226	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+ACN+H"	42.033826
"1205788"	348.711251	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+ACN+2H"	43.041102
"201574"	1353.73396	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2Na-H"	44.97116
"642959"	2008.11536	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2Na-H"	44.97116
"1146344"	699.35256	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2Na-H"	44.97116
"187331"	677.370618	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2Na"	45.978436
"624576"	1004.561318	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2Na"	45.978436
"1130640"	350.179918	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2Na"	45.978436
"1413066"	233.789037333333	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+2Na"	46.985712
"1444451"	701.394146	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+HCOOH"	47.012746
"235213"	682.40364	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+3H2O+2H"	56.04448
"1523303"	715.44619	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+IsoProp+H"	61.06479
"422622"	685.357588	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+Na+K"	61.952376
"785079"	1012.548288	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+Na+K"	61.952376
"1679953"	358.166888	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na+K"	61.952376
"267085"	1372.778568	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+ACN+Na"	64.015768
"1241124"	718.397168	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+ACN+Na"	64.015768
"1728309"	718.420693	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+NH4+HCOOH"	64.039293
"1193941"	241.116351333333	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+3Na"	68.967654
"1654198"	723.376088	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na+HCOOH"	68.994688
"165432"	1385.68184	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2K-H"	76.91904
"612444"	2040.06324	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2K-H"	76.91904
"1092787"	731.30044	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2K-H"	76.91904
"151790"	693.344558	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"2M+2K"	77.926316
"596982"	1020.535258	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"3M+2K"	77.926316
"1079141"	366.153858	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2K"	77.926316
"1112350"	733.314992	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2K+H"	78.933592
"1343267"	733.402607	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+DMSO+H"	79.021207
"1017266"	737.441776	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2ACN+H"	83.060376
"1529924"	738.435408	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+IsoProp+Na+H"	84.054008
"1001841"	369.224526	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+2ACN+2H"	84.067652
"1601810"	739.350028	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K+HCOOH"	84.968628
"1424189"	769.381538	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+H+CF3COOH"	115.000138
"1156663"	389.737801	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+3ACN+2H"	125.094202
"1700746"	786.408085	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+NH4+CF3COOH"	132.026685
"1646242"	791.36348	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+Na+CF3COOH"	136.98208
"1574238"	807.33742	"C17436"	"di-transpoly-cis-Heptaprenyl diphosphate;ditranstetracis-Heptaprenyl diphosphate"	"C35H60O7P2"	"654.3814"	"M+K+CF3COOH"	152.95602
"807884"	722.444	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M"	0
"977042"	703.42561	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-H2O-H"	-19.01839
"70752"	480.622057333333	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M-3H"	-3.021828
"507031"	721.436724	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M-3H"	-3.021828
"887018"	239.807390666667	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-3H"	-3.021828
"14474"	721.436724	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H"	-2.014552
"441152"	1082.658724	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H"	-2.014552
"822965"	360.214724	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-2H"	-2.014552
"86238"	1443.880724	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M-H"	-1.007276
"531147"	2166.324724	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M-H"	-1.007276
"910291"	721.436724	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-H"	-1.007276
"62238"	1460.907271	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H+NH4"	16.019271
"501311"	2183.351271	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H+NH4"	16.019271
"879361"	738.463271	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-2H+NH4"	16.019271
"46782"	1465.862666	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H+Na"	20.974666
"486911"	2188.306666	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H+Na"	20.974666
"864200"	743.418666	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-2H+Na"	20.974666
"1633058"	743.418666	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Na-2H"	20.974666
"106668"	739.425063	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M-H+Cl"	33.962126
"549640"	1100.647063	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M-H+Cl"	33.962126
"941448"	378.203063	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-H+Cl"	33.962126
"279402"	1479.857402	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+Cl"	34.969402
"669635"	2202.301402	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+Cl"	34.969402
"1280944"	757.413402	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl"	34.969402
"19125"	1481.836606	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M-2H+K"	36.948606
"459779"	2204.280606	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M-2H+K"	36.948606
"840862"	759.392606	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-2H+K"	36.948606
"1564354"	759.392606	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+K-2H"	36.948606
"948956"	767.442194	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-H+HCOOH"	44.998194
"371546"	1489.886201	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+HCOOH-H"	44.998201
"353242"	1503.901851	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+Hac-H"	59.013851
"1500981"	781.457851	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Hac-H"	59.013851
"962326"	789.424151	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-H+NaCOOH"	66.980151
"116337"	757.413402	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+2Cl"	69.938804
"565135"	1118.635402	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+2Cl"	69.938804
"1034904"	396.191402	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2Cl"	69.938804
"1251932"	801.362885	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Br"	78.918885
"1308911"	803.418872	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl+HCOOH"	80.974872
"1324221"	825.400829	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl+NaCOOH"	102.956829
"916374"	835.429586	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M-H+CF3COOH"	112.985586
"1291988"	871.406264	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Cl+CF3COOH"	148.962264
"1371244"	687.431324	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H-2H2O"	-35.012676
"1387647"	705.4413	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H-H2O"	-17.0027
"298538"	1445.895276	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+H"	1.007276
"691247"	2168.339276	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+H"	1.007276
"1364133"	723.451276	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H"	1.007276
"138116"	723.451276	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+2H"	2.014552
"579866"	1084.673276	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+2H"	2.014552
"1049029"	362.229276	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2H"	2.014552
"216200"	482.636609333333	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+3H"	3.021828
"659049"	723.451276	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+3H"	3.021828
"1176813"	241.821942666667	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+3H"	3.021828
"438261"	1462.921823	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+NH4"	18.033823
"800713"	2185.365823	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+NH4"	18.033823
"1695587"	740.477823	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+NH4"	18.033823
"345327"	731.9645495	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+H+NH4"	19.041099
"738193"	1093.1865495	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+H+NH4"	19.041099
"1491445"	370.7425495	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H+NH4"	19.041099
"407939"	1467.877218	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+Na"	22.989218
"767598"	2190.321218	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+Na"	22.989218
"1615696"	745.433218	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Na"	22.989218
"328647"	734.442247	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+H+Na"	23.996494
"718878"	1095.664247	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+H+Na"	23.996494
"1475859"	373.220247	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H+Na"	23.996494
"1067647"	249.149256666667	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2H+Na"	25.00377
"1267255"	755.477486	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+CH3OH+H"	33.033486
"392641"	1483.851158	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+K"	38.963158
"751934"	2206.295158	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+K"	38.963158
"1553986"	761.407158	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+K"	38.963158
"313927"	742.429217	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+H+K"	39.970434
"704695"	1103.651217	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+H+K"	39.970434
"1459246"	381.207217	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H+K"	39.970434
"250035"	1486.921826	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+ACN+H"	42.033826
"1219828"	764.477826	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+ACN+H"	42.033826
"1207724"	382.742551	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+ACN+2H"	43.041102
"203144"	1489.85916	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+2Na-H"	44.97116
"642345"	2212.30316	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+2Na-H"	44.97116
"1145974"	767.41516	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2Na-H"	44.97116
"186591"	745.433218	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+2Na"	45.978436
"626145"	1106.655218	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+2Na"	45.978436
"1130383"	384.211218	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2Na"	45.978436
"1414134"	256.476570666667	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H+2Na"	46.985712
"1444925"	769.456746	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H+HCOOH"	47.012746
"235229"	750.46624	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+3H2O+2H"	56.04448
"1522685"	783.50879	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+IsoProp+H"	61.06479
"424031"	753.420188	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+Na+K"	61.952376
"784824"	1114.642188	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+Na+K"	61.952376
"1678968"	392.198188	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Na+K"	61.952376
"267099"	1508.903768	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+ACN+Na"	64.015768
"1240387"	786.459768	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+ACN+Na"	64.015768
"1728427"	786.483293	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+NH4+HCOOH"	64.039293
"1194176"	263.803884666667	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+3Na"	68.967654
"1654309"	791.438688	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Na+HCOOH"	68.994688
"168823"	1521.80704	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+2K-H"	76.91904
"612392"	2244.25104	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+2K-H"	76.91904
"1096177"	799.36304	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2K-H"	76.91904
"155181"	761.407158	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"2M+2K"	77.926316
"596644"	1122.629158	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"3M+2K"	77.926316
"1080345"	400.185158	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2K"	77.926316
"1111367"	801.377592	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2K+H"	78.933592
"1343377"	801.465207	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+DMSO+H"	79.021207
"1018470"	805.504376	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2ACN+H"	83.060376
"1528941"	806.498008	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+IsoProp+Na+H"	84.054008
"1001951"	403.255826	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+2ACN+2H"	84.067652
"1600827"	807.412628	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+K+HCOOH"	84.968628
"1424299"	837.444138	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+H+CF3COOH"	115.000138
"1158960"	423.769101	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+3ACN+2H"	125.094202
"1699763"	854.470685	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+NH4+CF3COOH"	132.026685
"1646352"	859.42608	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+Na+CF3COOH"	136.98208
"1574348"	875.40002	"C17437"	"di-transpoly-cis-Octaprenyl diphosphate;ditranspentacis-Octaprenyl diphosphate"	"C40H68O7P2"	"722.444"	"M+K+CF3COOH"	152.95602
"811274"	790.5066	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M"	0
"978245"	771.48821	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H2O-H"	-19.01839
"70862"	525.997124	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-3H"	-3.021828
"508235"	789.499324	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-3H"	-3.021828
"889315"	262.494924	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-3H"	-3.021828
"10081"	789.499324	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H"	-2.014552
"441991"	1184.752624	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H"	-2.014552
"824168"	394.246024	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H"	-2.014552
"88535"	1580.005924	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-H"	-1.007276
"529921"	2370.512524	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-H"	-1.007276
"911009"	789.499324	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H"	-1.007276
"61864"	1597.032471	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H+NH4"	16.019271
"502789"	2387.539071	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H+NH4"	16.019271
"878737"	806.525871	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H+NH4"	16.019271
"46763"	1601.987866	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H+Na"	20.974666
"486772"	2392.494466	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H+Na"	20.974666
"864173"	811.481266	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H+Na"	20.974666
"1632074"	811.481266	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na-2H"	20.974666
"105322"	807.487663	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-H+Cl"	33.962126
"541963"	1202.740963	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-H+Cl"	33.962126
"941680"	412.234363	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+Cl"	33.962126
"281578"	1615.982602	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Cl"	34.969402
"671933"	2406.489202	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+Cl"	34.969402
"1281054"	825.476002	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl"	34.969402
"23608"	1617.961806	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M-2H+K"	36.948606
"460982"	2408.468406	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M-2H+K"	36.948606
"837692"	827.455206	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-2H+K"	36.948606
"1561184"	827.455206	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K-2H"	36.948606
"947243"	835.504794	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+HCOOH"	44.998194
"371656"	1626.011401	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+HCOOH-H"	44.998201
"353352"	1640.027051	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Hac-H"	59.013851
"1497444"	849.520451	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Hac-H"	59.013851
"963163"	857.486751	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+NaCOOH"	66.980151
"116447"	825.476002	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2Cl"	69.938804
"560382"	1220.729302	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2Cl"	69.938804
"1034649"	430.222702	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2Cl"	69.938804
"1252042"	869.425485	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Br"	78.918885
"1309021"	871.481472	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl+HCOOH"	80.974872
"1324329"	893.463429	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl+NaCOOH"	102.956829
"919764"	903.492186	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M-H+CF3COOH"	112.985586
"1292098"	939.468864	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Cl+CF3COOH"	148.962264
"1369168"	755.493924	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H-2H2O"	-35.012676
"1382974"	773.5039	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H-H2O"	-17.0027
"296566"	1582.020476	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H"	1.007276
"688255"	2372.527076	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H"	1.007276
"1363145"	791.513876	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H"	1.007276
"134574"	791.513876	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2H"	2.014552
"578512"	1186.767176	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2H"	2.014552
"1047311"	396.260576	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2H"	2.014552
"216310"	528.011676	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+3H"	3.021828
"659157"	791.513876	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+3H"	3.021828
"1177282"	264.509476	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+3H"	3.021828
"437273"	1599.047023	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+NH4"	18.033823
"800699"	2389.553623	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+NH4"	18.033823
"1692408"	808.540423	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+NH4"	18.033823
"344340"	800.0271495	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H+NH4"	19.041099
"737124"	1195.2804495	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H+NH4"	19.041099
"1489484"	404.7738495	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+NH4"	19.041099
"407801"	1604.002418	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Na"	22.989218
"768432"	2394.509018	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+Na"	22.989218
"1617387"	813.495818	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na"	22.989218
"328515"	802.504847	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H+Na"	23.996494
"717530"	1197.758147	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H+Na"	23.996494
"1476090"	407.251547	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+Na"	23.996494
"1067394"	271.83679	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2H+Na"	25.00377
"1269187"	823.540086	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+CH3OH+H"	33.033486
"389220"	1619.976358	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+K"	38.963158
"752773"	2410.482958	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+K"	38.963158
"1554706"	829.469758	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K"	38.963158
"313999"	810.491817	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+H+K"	39.970434
"706873"	1205.745117	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+H+K"	39.970434
"1461020"	415.238517	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+K"	39.970434
"251038"	1623.047026	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+ACN+H"	42.033826
"1223949"	832.540426	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+ACN+H"	42.033826
"1208566"	416.773851	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+ACN+2H"	43.041102
"202891"	1625.98436	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2Na-H"	44.97116
"643186"	2416.49096	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2Na-H"	44.97116
"1146959"	835.47776	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2Na-H"	44.97116
"188323"	813.495818	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2Na"	45.978436
"628419"	1208.749118	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2Na"	45.978436
"1130821"	418.242518	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2Na"	45.978436
"1414022"	279.164104	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+2Na"	46.985712
"1445531"	837.519346	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+HCOOH"	47.012746
"234736"	818.52884	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+3H2O+2H"	56.04448
"1524057"	851.57139	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+IsoProp+H"	61.06479
"424248"	821.482788	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+Na+K"	61.952376
"785261"	1216.736088	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+Na+K"	61.952376
"1680416"	426.229488	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na+K"	61.952376
"266688"	1645.028968	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+ACN+Na"	64.015768
"1240133"	854.522368	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+ACN+Na"	64.015768
"1728163"	854.545893	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+NH4+HCOOH"	64.039293
"1194188"	286.491418	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+3Na"	68.967654
"1660980"	859.501288	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na+HCOOH"	68.994688
"172338"	1657.93224	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2K-H"	76.91904
"612466"	2448.43884	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2K-H"	76.91904
"1094101"	867.42564	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2K-H"	76.91904
"156997"	829.469758	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"2M+2K"	77.926316
"592664"	1224.723058	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"3M+2K"	77.926316
"1082889"	434.216458	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2K"	77.926316
"1112572"	869.440192	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2K+H"	78.933592
"1350176"	869.527807	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+DMSO+H"	79.021207
"1013113"	873.566976	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2ACN+H"	83.060376
"1534519"	874.560608	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+IsoProp+Na+H"	84.054008
"1004127"	437.287126	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+2ACN+2H"	84.067652
"1600937"	875.475228	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K+HCOOH"	84.968628
"1425503"	905.506738	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+H+CF3COOH"	115.000138
"1157977"	457.800401	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+3ACN+2H"	125.094202
"1699873"	922.533285	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+NH4+CF3COOH"	132.026685
"1646462"	927.48868	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+Na+CF3COOH"	136.98208
"1574458"	943.46262	"C17438"	"di-transpoly-cis-Nonaprenyl diphosphate;ditranshexacis-Nonaprenyl diphosphate"	"C45H76O7P2"	"790.5066"	"M+K+CF3COOH"	152.95602
"811384"	452.2093	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M"	0
"976169"	433.19091	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-H2O-H"	-19.01839
"67692"	300.465590666667	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M-3H"	-3.021828
"505065"	451.202024	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M-3H"	-3.021828
"889425"	149.729157333333	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-3H"	-3.021828
"10191"	451.202024	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M-2H"	-2.014552
"447568"	677.306674	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M-2H"	-2.014552
"826463"	225.097374	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-2H"	-2.014552
"89738"	903.411324	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M-H"	-1.007276
"533680"	1355.620624	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M-H"	-1.007276
"910023"	451.202024	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-H"	-1.007276
"61613"	920.437871	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M-2H+NH4"	16.019271
"502138"	1372.647171	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M-2H+NH4"	16.019271
"878482"	468.228571	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-2H+NH4"	16.019271
"46266"	925.393266	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M-2H+Na"	20.974666
"486194"	1377.602566	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M-2H+Na"	20.974666
"862895"	473.183966	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-2H+Na"	20.974666
"1633481"	473.183966	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Na-2H"	20.974666
"108713"	469.190363	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M-H+Cl"	33.962126
"544261"	695.295013	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M-H+Cl"	33.962126
"933401"	243.085713	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-H+Cl"	33.962126
"277436"	939.388002	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+Cl"	34.969402
"673863"	1391.597302	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+Cl"	34.969402
"1284445"	487.178702	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Cl"	34.969402
"25907"	941.367206	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M-2H+K"	36.948606
"459999"	1393.576506	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M-2H+K"	36.948606
"841082"	489.157906	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-2H+K"	36.948606
"1562385"	489.157906	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+K-2H"	36.948606
"949177"	497.207494	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-H+HCOOH"	44.998194
"366296"	949.416801	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+HCOOH-H"	44.998201
"347262"	963.432451	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+Hac-H"	59.013851
"1492931"	511.223151	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Hac-H"	59.013851
"964367"	519.189451	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-H+NaCOOH"	66.980151
"124820"	487.178702	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+2Cl"	69.938804
"563773"	713.283352	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+2Cl"	69.938804
"1034759"	261.074052	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2Cl"	69.938804
"1246683"	531.128185	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Br"	78.918885
"1309129"	533.184172	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Cl+HCOOH"	80.974872
"1326627"	555.166129	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Cl+NaCOOH"	102.956829
"913306"	565.194886	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M-H+CF3COOH"	112.985586
"1290383"	601.171564	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Cl+CF3COOH"	148.962264
"1368177"	417.196624	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H-2H2O"	-35.012676
"1382865"	435.2066	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H-H2O"	-17.0027
"285366"	905.425876	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+H"	1.007276
"677300"	1357.635176	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+H"	1.007276
"1364348"	453.216576	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H"	1.007276
"134684"	453.216576	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+2H"	2.014552
"579719"	679.321226	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+2H"	2.014552
"1050342"	227.111926	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2H"	2.014552
"216420"	302.480142666667	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+3H"	3.021828
"658538"	453.216576	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+3H"	3.021828
"1177392"	151.743709333333	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+3H"	3.021828
"438113"	922.452423	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+NH4"	18.033823
"800203"	1374.661723	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+NH4"	18.033823
"1694343"	470.243123	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+NH4"	18.033823
"343722"	461.7298495	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+H+NH4"	19.041099
"737843"	687.8344995	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+H+NH4"	19.041099
"1490688"	235.6251995	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H+NH4"	19.041099
"407668"	927.407818	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+Na"	22.989218
"769154"	1379.617118	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+Na"	22.989218
"1615553"	475.198518	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Na"	22.989218
"324860"	464.207547	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+H+Na"	23.996494
"721044"	690.312197	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+H+Na"	23.996494
"1475105"	238.102897	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H+Na"	23.996494
"1067948"	159.071023333333	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2H+Na"	25.00377
"1270025"	485.242786	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+CH3OH+H"	33.033486
"392246"	943.381758	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+K"	38.963158
"753902"	1395.591058	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+K"	38.963158
"1555314"	491.172458	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+K"	38.963158
"310653"	472.194517	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+H+K"	39.970434
"706488"	698.299167	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+H+K"	39.970434
"1460067"	246.089867	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H+K"	39.970434
"250851"	946.452426	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+ACN+H"	42.033826
"1224304"	494.243126	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+ACN+H"	42.033826
"1207462"	247.625201	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+ACN+2H"	43.041102
"202155"	949.38976	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+2Na-H"	44.97116
"642081"	1401.59906	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+2Na-H"	44.97116
"1146316"	497.18046	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2Na-H"	44.97116
"187784"	475.198518	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+2Na"	45.978436
"627708"	701.303168	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+2Na"	45.978436
"1130973"	249.093868	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2Na"	45.978436
"1413641"	166.398337333333	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H+2Na"	46.985712
"1445150"	499.222046	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H+HCOOH"	47.012746
"234481"	480.23154	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+3H2O+2H"	56.04448
"1523764"	513.27409	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+IsoProp+H"	61.06479
"423813"	483.185488	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+Na+K"	61.952376
"785398"	709.290138	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+Na+K"	61.952376
"1681040"	257.080838	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Na+K"	61.952376
"266676"	968.434368	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+ACN+Na"	64.015768
"1240365"	516.225068	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+ACN+Na"	64.015768
"1728035"	516.248593	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+NH4+HCOOH"	64.039293
"1192540"	173.725651333333	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+3Na"	68.967654
"1663277"	521.203988	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Na+HCOOH"	68.994688
"172209"	981.33764	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+2K-H"	76.91904
"612252"	1433.54694	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+2K-H"	76.91904
"1094211"	529.12834	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2K-H"	76.91904
"156784"	491.172458	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"2M+2K"	77.926316
"594961"	717.277108	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"3M+2K"	77.926316
"1082636"	265.067808	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2K"	77.926316
"1112682"	531.142892	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2K+H"	78.933592
"1350407"	531.230507	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+DMSO+H"	79.021207
"1013223"	535.269676	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2ACN+H"	83.060376
"1537909"	536.263308	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+IsoProp+Na+H"	84.054008
"1003995"	268.138476	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+2ACN+2H"	84.067652
"1601899"	537.177928	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+K+HCOOH"	84.968628
"1425613"	567.209438	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+H+CF3COOH"	115.000138
"1156993"	288.651751	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+3ACN+2H"	125.094202
"1698890"	584.235985	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+NH4+CF3COOH"	132.026685
"1646572"	589.19138	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+Na+CF3COOH"	136.98208
"1574568"	605.16532	"C17439"	"Dihydrogeranylgeranyl diphosphate"	"C20H38O7P2"	"452.2093"	"M+K+CF3COOH"	152.95602
"811494"	454.2249	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M"	0
"976279"	435.20651	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-H2O-H"	-19.01839
"67802"	301.809324	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M-3H"	-3.021828
"509548"	453.217624	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M-3H"	-3.021828
"889535"	150.401024	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-3H"	-3.021828
"5927"	453.217624	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M-2H"	-2.014552
"453145"	680.330074	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M-2H"	-2.014552
"825479"	226.105174	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-2H"	-2.014552
"81099"	907.442524	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M-H"	-1.007276
"533910"	1361.667424	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M-H"	-1.007276
"908310"	453.217624	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-H"	-1.007276
"62673"	924.469071	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M-2H+NH4"	16.019271
"502247"	1378.693971	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M-2H+NH4"	16.019271
"877858"	470.244171	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-2H+NH4"	16.019271
"46662"	929.424466	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M-2H+Na"	20.974666
"486832"	1383.649366	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M-2H+Na"	20.974666
"863897"	475.199566	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-2H+Na"	20.974666
"1633997"	475.199566	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Na-2H"	20.974666
"109432"	471.205963	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M-H+Cl"	33.962126
"543278"	698.318413	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M-H+Cl"	33.962126
"931325"	244.093513	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-H+Cl"	33.962126
"280460"	943.419202	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+Cl"	34.969402
"668869"	1397.644102	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+Cl"	34.969402
"1285647"	489.194302	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Cl"	34.969402
"26017"	945.398406	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M-2H+K"	36.948606
"462295"	1399.623306	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M-2H+K"	36.948606
"833901"	491.173506	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-2H+K"	36.948606
"1561402"	491.173506	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+K-2H"	36.948606
"949287"	499.223094	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-H+HCOOH"	44.998194
"366406"	953.448001	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+HCOOH-H"	44.998201
"347736"	967.463651	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+Hac-H"	59.013851
"1492765"	513.238751	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Hac-H"	59.013851
"965570"	521.205051	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-H+NaCOOH"	66.980151
"125051"	489.194302	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+2Cl"	69.938804
"563883"	716.306752	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+2Cl"	69.938804
"1035598"	262.081852	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2Cl"	69.938804
"1247886"	533.143785	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Br"	78.918885
"1308147"	535.199772	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Cl+HCOOH"	80.974872
"1323457"	557.181729	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Cl+NaCOOH"	102.956829
"913052"	567.210486	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M-H+CF3COOH"	112.985586
"1292315"	603.187164	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Cl+CF3COOH"	148.962264
"1367923"	419.212224	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H-2H2O"	-35.012676
"1383961"	437.2222	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H-H2O"	-17.0027
"282962"	909.457076	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+H"	1.007276
"677168"	1363.681976	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+H"	1.007276
"1362638"	455.232176	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H"	1.007276
"135887"	455.232176	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+2H"	2.014552
"579465"	682.344626	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+2H"	2.014552
"1050817"	228.119726	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2H"	2.014552
"217260"	303.823876	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+3H"	3.021828
"656094"	455.232176	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+3H"	3.021828
"1169844"	152.415576	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+3H"	3.021828
"436397"	926.483623	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+NH4"	18.033823
"798122"	1380.708523	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+NH4"	18.033823
"1693723"	472.258723	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+NH4"	18.033823
"344194"	463.7454495	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+H+NH4"	19.041099
"737913"	690.8578995	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+H+NH4"	19.041099
"1490069"	236.6329995	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H+NH4"	19.041099
"407655"	931.439018	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+Na"	22.989218
"769017"	1385.663918	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+Na"	22.989218
"1616384"	477.214118	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Na"	22.989218
"325693"	466.223147	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+H+Na"	23.996494
"722126"	693.335597	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+H+Na"	23.996494
"1475215"	239.110697	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H+Na"	23.996494
"1067731"	159.74289	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2H+Na"	25.00377
"1272444"	487.258386	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+CH3OH+H"	33.033486
"392789"	947.412958	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+K"	38.963158
"753930"	1401.637858	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+K"	38.963158
"1555178"	493.188058	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+K"	38.963158
"307118"	474.210117	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+H+K"	39.970434
"705016"	701.322567	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+H+K"	39.970434
"1458840"	247.097667	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H+K"	39.970434
"250717"	950.483626	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+ACN+H"	42.033826
"1224896"	496.258726	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+ACN+H"	42.033826
"1208908"	248.633001	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+ACN+2H"	43.041102
"203481"	953.42096	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+2Na-H"	44.97116
"643814"	1407.64586	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+2Na-H"	44.97116
"1145454"	499.19606	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2Na-H"	44.97116
"188136"	477.214118	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+2Na"	45.978436
"627576"	704.326568	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+2Na"	45.978436
"1130471"	250.101668	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2Na"	45.978436
"1413393"	167.070204	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H+2Na"	46.985712
"1445571"	501.237646	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H+HCOOH"	47.012746
"235680"	482.24714	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+3H2O+2H"	56.04448
"1523876"	515.28969	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+IsoProp+H"	61.06479
"423849"	485.201088	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+Na+K"	61.952376
"785481"	712.313538	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+Na+K"	61.952376
"1680837"	258.088638	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Na+K"	61.952376
"267111"	972.465568	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+ACN+Na"	64.015768
"1241279"	518.240668	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+ACN+Na"	64.015768
"1725221"	518.264193	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+NH4+HCOOH"	64.039293
"1194136"	174.397518	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+3Na"	68.967654
"1663753"	523.219588	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Na+HCOOH"	68.994688
"172522"	985.36884	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+2K-H"	76.91904
"612402"	1439.59374	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+2K-H"	76.91904
"1097601"	531.14394	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2K-H"	76.91904
"155513"	493.188058	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"2M+2K"	77.926316
"595922"	720.300508	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"3M+2K"	77.926316
"1080677"	266.075608	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2K"	77.926316
"1114619"	533.158492	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2K+H"	78.933592
"1350149"	533.246107	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+DMSO+H"	79.021207
"1016613"	537.285276	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2ACN+H"	83.060376
"1534739"	538.278908	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+IsoProp+Na+H"	84.054008
"1004468"	269.146276	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+2ACN+2H"	84.067652
"1600064"	539.193528	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+K+HCOOH"	84.968628
"1423536"	569.225038	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+H+CF3COOH"	115.000138
"1157103"	289.659551	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+3ACN+2H"	125.094202
"1699000"	586.251585	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+NH4+CF3COOH"	132.026685
"1646682"	591.20698	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+Na+CF3COOH"	136.98208
"1574678"	607.18092	"C17440"	"Tetrahydrogeranylgeranyl diphosphate"	"C20H40O7P2"	"454.2249"	"M+K+CF3COOH"	152.95602
"808324"	1208.5826	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M"	0
"977482"	1189.56421	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-H2O-H"	-19.01839
"67912"	804.714457333333	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M-3H"	-3.021828
"509658"	1207.575324	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M-3H"	-3.021828
"889645"	401.853590666667	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-3H"	-3.021828
"9317"	1207.575324	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M-2H"	-2.014552
"455283"	1811.866624	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M-2H"	-2.014552
"831949"	603.284024	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-2H"	-2.014552
"81209"	2416.157924	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M-H"	-1.007276
"533534"	3624.740524	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M-H"	-1.007276
"906232"	1207.575324	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-H"	-1.007276
"61579"	2433.184471	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M-2H+NH4"	16.019271
"499802"	3641.767071	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M-2H+NH4"	16.019271
"877605"	1224.601871	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-2H+NH4"	16.019271
"47106"	2438.139866	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M-2H+Na"	20.974666
"487036"	3646.722466	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M-2H+Na"	20.974666
"862870"	1229.557266	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-2H+Na"	20.974666
"1629485"	1229.557266	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Na-2H"	20.974666
"101639"	1225.563663	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M-H+Cl"	33.962126
"542294"	1829.854963	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M-H+Cl"	33.962126
"928276"	621.272363	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-H+Cl"	33.962126
"280570"	2452.134602	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+Cl"	34.969402
"668979"	3660.717202	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+Cl"	34.969402
"1285757"	1243.552002	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Cl"	34.969402
"28314"	2454.113806	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M-2H+K"	36.948606
"462405"	3662.696406	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M-2H+K"	36.948606
"838020"	1245.531206	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-2H+K"	36.948606
"1563700"	1245.531206	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+K-2H"	36.948606
"949397"	1253.580794	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-H+HCOOH"	44.998194
"366516"	2462.163401	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+HCOOH-H"	44.998201
"350400"	2476.179051	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+Hac-H"	59.013851
"1493397"	1267.596451	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Hac-H"	59.013851
"964587"	1275.562751	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-H+NaCOOH"	66.980151
"125283"	1243.552002	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+2Cl"	69.938804
"560711"	1847.843302	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+2Cl"	69.938804
"1035708"	639.260702	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2Cl"	69.938804
"1250183"	1287.501485	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Br"	78.918885
"1308257"	1289.557472	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Cl+HCOOH"	80.974872
"1323566"	1311.539429	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Cl+NaCOOH"	102.956829
"912434"	1321.568186	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M-H+CF3COOH"	112.985586
"1291332"	1357.544864	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Cl+CF3COOH"	148.962264
"1367669"	1173.569924	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H-2H2O"	-35.012676
"1385164"	1191.5799	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H-H2O"	-17.0027
"285585"	2418.172476	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+H"	1.007276
"678007"	3626.755076	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+H"	1.007276
"1351797"	1209.589876	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H"	1.007276
"135997"	1209.589876	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+2H"	2.014552
"579209"	1813.881176	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+2H"	2.014552
"1051657"	605.298576	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2H"	2.014552
"218466"	806.729009333333	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+3H"	3.021828
"656932"	1209.589876	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+3H"	3.021828
"1172140"	403.868142666667	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+3H"	3.021828
"435415"	2435.199023	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+NH4"	18.033823
"798960"	3643.781623	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+NH4"	18.033823
"1694560"	1226.616423	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+NH4"	18.033823
"342849"	1218.1031495	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+H+NH4"	19.041099
"737089"	1822.3944495	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+H+NH4"	19.041099
"1491273"	613.8118495	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H+NH4"	19.041099
"404848"	2440.154418	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+Na"	22.989218
"766937"	3648.737018	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+Na"	22.989218
"1618116"	1231.571818	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Na"	22.989218
"327626"	1220.580847	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+H+Na"	23.996494
"721874"	1824.872147	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+H+Na"	23.996494
"1474232"	616.289547	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H+Na"	23.996494
"1067720"	411.195456666667	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2H+Na"	25.00377
"1272555"	1241.616086	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+CH3OH+H"	33.033486
"392425"	2456.128358	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+K"	38.963158
"754155"	3664.710958	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+K"	38.963158
"1555509"	1247.545758	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+K"	38.963158
"305041"	1228.567817	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+H+K"	39.970434
"706220"	1832.859117	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+H+K"	39.970434
"1460286"	624.276517	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H+K"	39.970434
"249734"	2459.199026	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+ACN+H"	42.033826
"1225006"	1250.616426	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+ACN+H"	42.033826
"1209834"	625.811851	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+ACN+2H"	43.041102
"203793"	2462.13636	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+2Na-H"	44.97116
"644216"	3670.71896	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+2Na-H"	44.97116
"1146664"	1253.55376	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2Na-H"	44.97116
"188304"	1231.571818	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+2Na"	45.978436
"628171"	1835.863118	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+2Na"	45.978436
"1130831"	627.280518	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2Na"	45.978436
"1413249"	418.522770666667	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H+2Na"	46.985712
"1445540"	1255.595346	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H+HCOOH"	47.012746
"233603"	1236.60484	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+3H2O+2H"	56.04448
"1524063"	1269.64739	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+IsoProp+H"	61.06479
"423997"	1239.558788	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+Na+K"	61.952376
"785308"	1843.850088	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+Na+K"	61.952376
"1681250"	635.267488	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Na+K"	61.952376
"267094"	2481.180968	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+ACN+Na"	64.015768
"1241200"	1272.598368	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+ACN+Na"	64.015768
"1727154"	1272.621893	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+NH4+HCOOH"	64.039293
"1192872"	425.850084666667	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+3Na"	68.967654
"1665281"	1277.577288	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Na+HCOOH"	68.994688
"172428"	2494.08424	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+2K-H"	76.91904
"612511"	3702.66684	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+2K-H"	76.91904
"1098807"	1285.50164	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2K-H"	76.91904
"157035"	1247.545758	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"2M+2K"	77.926316
"596769"	1851.837058	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"3M+2K"	77.926316
"1077507"	643.254458	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2K"	77.926316
"1115375"	1287.516192	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2K+H"	78.933592
"1351298"	1287.603807	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+DMSO+H"	79.021207
"1020979"	1291.642976	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2ACN+H"	83.060376
"1534849"	1292.636608	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+IsoProp+Na+H"	84.054008
"1004457"	646.325126	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+2ACN+2H"	84.067652
"1599081"	1293.551228	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+K+HCOOH"	84.968628
"1424740"	1323.582738	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+H+CF3COOH"	115.000138
"1157213"	666.838401	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+3ACN+2H"	125.094202
"1699110"	1340.609285	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+NH4+CF3COOH"	132.026685
"1646792"	1345.56468	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+Na+CF3COOH"	136.98208
"1574788"	1361.53862	"C17441"	"Polygalacin D"	"C57H92O27"	"1208.5826"	"M+K+CF3COOH"	152.95602
"814994"	248.1889	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M"	0
"979779"	229.17051	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-H2O-H"	-19.01839
"68022"	164.451990666667	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M-3H"	-3.021828
"511955"	247.181624	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M-3H"	-3.021828
"886475"	81.7223573333333	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-3H"	-3.021828
"9427"	247.181624	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M-2H"	-2.014552
"454826"	371.276074	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M-2H"	-2.014552
"832308"	123.087174	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-2H"	-2.014552
"93836"	495.370524	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M-H"	-1.007276
"533269"	743.559424	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M-H"	-1.007276
"909612"	247.181624	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-H"	-1.007276
"51596"	512.397071	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M-2H+NH4"	16.019271
"495898"	760.585971	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M-2H+NH4"	16.019271
"878809"	264.208171	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-2H+NH4"	16.019271
"44764"	517.352466	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M-2H+Na"	20.974666
"486398"	765.541366	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M-2H+Na"	20.974666
"862251"	269.163566	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-2H+Na"	20.974666
"1627407"	269.163566	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Na-2H"	20.974666
"101748"	265.169963	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M-H+Cl"	33.962126
"538028"	389.264413	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M-H+Cl"	33.962126
"928990"	141.075513	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-H+Cl"	33.962126
"268641"	531.347202	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+Cl"	34.969402
"672369"	779.536102	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+Cl"	34.969402
"1284774"	283.158302	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Cl"	34.969402
"24051"	533.326406	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M-2H+K"	36.948606
"462516"	781.515306	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M-2H+K"	36.948606
"835943"	285.137506	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-2H+K"	36.948606
"1564903"	285.137506	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+K-2H"	36.948606
"949507"	293.187094	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-H+HCOOH"	44.998194
"367719"	541.376001	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+HCOOH-H"	44.998201
"350510"	555.391651	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+Hac-H"	59.013851
"1494235"	307.202751	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Hac-H"	59.013851
"964697"	315.169051	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-H+NaCOOH"	66.980151
"125029"	283.158302	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+2Cl"	69.938804
"560821"	407.252752	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+2Cl"	69.938804
"1034725"	159.063852	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2Cl"	69.938804
"1250293"	327.107785	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Br"	78.918885
"1305450"	329.163772	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Cl+HCOOH"	80.974872
"1324770"	351.145729	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Cl+NaCOOH"	102.956829
"914732"	361.174486	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M-H+CF3COOH"	112.985586
"1290347"	397.151164	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Cl+CF3COOH"	148.962264
"1370697"	213.176224	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H-2H2O"	-35.012676
"1383817"	231.1862	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H-H2O"	-17.0027
"284601"	497.385076	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+H"	1.007276
"677017"	745.573976	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+H"	1.007276
"1352879"	249.196176	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H"	1.007276
"136107"	249.196176	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+2H"	2.014552
"578591"	373.290626	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+2H"	2.014552
"1051161"	125.101726	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2H"	2.014552
"215654"	166.466542666667	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+3H"	3.021828
"655584"	249.196176	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+3H"	3.021828
"1174801"	83.7369093333333	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+3H"	3.021828
"436618"	514.411623	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+NH4"	18.033823
"799074"	762.600523	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+NH4"	18.033823
"1693578"	266.222723	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+NH4"	18.033823
"342231"	257.7094495	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+H+NH4"	19.041099
"736106"	381.8038995	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+H+NH4"	19.041099
"1491748"	133.6149995	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H+NH4"	19.041099
"405323"	519.367018	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+Na"	22.989218
"766683"	767.555918	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+Na"	22.989218
"1615146"	271.178118	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Na"	22.989218
"323723"	260.187147	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+H+Na"	23.996494
"717603"	384.281597	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+H+Na"	23.996494
"1472886"	136.092697	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H+Na"	23.996494
"1065281"	91.0642233333333	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2H+Na"	25.00377
"1267439"	281.222386	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+CH3OH+H"	33.033486
"390024"	535.340958	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+K"	38.963158
"752726"	783.529858	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+K"	38.963158
"1555569"	287.152058	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+K"	38.963158
"306974"	268.174117	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+H+K"	39.970434
"705235"	392.268567	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+H+K"	39.970434
"1459425"	144.079667	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H+K"	39.970434
"249480"	538.411626	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+ACN+H"	42.033826
"1224874"	290.222726	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+ACN+H"	42.033826
"1209496"	145.615001	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+ACN+2H"	43.041102
"203817"	541.34896	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+2Na-H"	44.97116
"644224"	789.53786	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+2Na-H"	44.97116
"1147011"	293.16006	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2Na-H"	44.97116
"188080"	271.178118	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+2Na"	45.978436
"628204"	395.272568	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+2Na"	45.978436
"1131186"	147.083668	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2Na"	45.978436
"1413359"	98.3915373333333	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H+2Na"	46.985712
"1445362"	295.201646	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H+HCOOH"	47.012746
"234441"	276.21114	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+3H2O+2H"	56.04448
"1523973"	309.25369	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+IsoProp+H"	61.06479
"423777"	279.165088	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+Na+K"	61.952376
"785460"	403.259538	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+Na+K"	61.952376
"1681097"	155.070638	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Na+K"	61.952376
"264940"	560.393568	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+ACN+Na"	64.015768
"1239472"	312.204668	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+ACN+Na"	64.015768
"1726535"	312.228193	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+NH4+HCOOH"	64.039293
"1190427"	105.718851333333	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+3Na"	68.967654
"1665438"	317.183588	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Na+HCOOH"	68.994688
"171195"	573.29684	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+2K-H"	76.91904
"606744"	821.48574	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+2K-H"	76.91904
"1099285"	325.10794	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2K-H"	76.91904
"156912"	287.152058	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"2M+2K"	77.926316
"597043"	411.246508	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"3M+2K"	77.926316
"1077617"	163.057608	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2K"	77.926316
"1114959"	327.122492	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2K+H"	78.933592
"1351268"	327.210107	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+DMSO+H"	79.021207
"1021283"	331.249276	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2ACN+H"	83.060376
"1536052"	332.242908	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+IsoProp+Na+H"	84.054008
"999221"	166.128276	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+2ACN+2H"	84.067652
"1599191"	333.157528	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+K+HCOOH"	84.968628
"1425943"	363.189038	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+H+CF3COOH"	115.000138
"1157323"	186.641551	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+3ACN+2H"	125.094202
"1699220"	380.215585	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+NH4+CF3COOH"	132.026685
"1643622"	385.17098	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+Na+CF3COOH"	136.98208
"1574898"	401.14492	"C17442"	"Isomatrine"	"C15H24N2O"	"248.1889"	"M+K+CF3COOH"	152.95602
"811824"	1266.5881	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M"	0
"978795"	1247.56971	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-H2O-H"	-19.01839
"68132"	843.384790666667	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M-3H"	-3.021828
"514252"	1265.580824	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M-3H"	-3.021828
"886585"	421.188757333333	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-3H"	-3.021828
"9537"	1265.580824	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M-2H"	-2.014552
"455521"	1898.874874	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M-2H"	-2.014552
"832497"	632.286774	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-2H"	-2.014552
"93825"	2532.168924	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M-H"	-1.007276
"533621"	3798.757024	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M-H"	-1.007276
"911150"	1265.580824	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-H"	-1.007276
"52436"	2549.195471	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M-2H+NH4"	16.019271
"493821"	3815.783571	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M-2H+NH4"	16.019271
"875272"	1282.607371	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-2H+NH4"	16.019271
"43173"	2554.150866	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M-2H+Na"	20.974666
"482374"	3820.738966	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M-2H+Na"	20.974666
"856895"	1287.562766	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-2H+Na"	20.974666
"1625331"	1287.562766	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Na-2H"	20.974666
"97485"	1283.569163	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M-H+Cl"	33.962126
"538138"	1916.863213	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M-H+Cl"	33.962126
"928127"	650.275113	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-H+Cl"	33.962126
"268141"	2568.145602	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+Cl"	34.969402
"670293"	3834.733702	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+Cl"	34.969402
"1282697"	1301.557502	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Cl"	34.969402
"24161"	2570.124806	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M-2H+K"	36.948606
"462626"	3836.712906	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M-2H+K"	36.948606
"833867"	1303.536706	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-2H+K"	36.948606
"1565013"	1303.536706	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+K-2H"	36.948606
"949617"	1311.586294	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-H+HCOOH"	44.998194
"366736"	2578.174401	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+HCOOH-H"	44.998201
"350620"	2592.190051	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+Hac-H"	59.013851
"1493617"	1325.601951	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Hac-H"	59.013851
"963714"	1333.568251	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-H+NaCOOH"	66.980151
"124652"	1301.557502	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+2Cl"	69.938804
"559838"	1934.851552	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+2Cl"	69.938804
"1024262"	668.263452	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2Cl"	69.938804
"1250403"	1345.506985	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Br"	78.918885
"1308475"	1347.562972	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Cl+HCOOH"	80.974872
"1324880"	1369.544929	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Cl+NaCOOH"	102.956829
"913749"	1379.573686	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M-H+CF3COOH"	112.985586
"1289364"	1415.550364	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Cl+CF3COOH"	148.962264
"1369714"	1231.575424	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H-2H2O"	-35.012676
"1388300"	1249.5854	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H-H2O"	-17.0027
"285805"	2534.183476	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+H"	1.007276
"676155"	3800.771576	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+H"	1.007276
"1351653"	1267.595376	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H"	1.007276
"134030"	1267.595376	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+2H"	2.014552
"577605"	1900.889426	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+2H"	2.014552
"1050784"	634.301326	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2H"	2.014552
"213577"	845.399342666667	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+3H"	3.021828
"653141"	1267.595376	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+3H"	3.021828
"1170171"	423.203309333333	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+3H"	3.021828
"430162"	2551.210023	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+NH4"	18.033823
"798450"	3817.798123	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+NH4"	18.033823
"1690769"	1284.621923	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+NH4"	18.033823
"342705"	1276.1086495	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+H+NH4"	19.041099
"736215"	1909.4026995	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+H+NH4"	19.041099
"1491252"	642.8145995	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H+NH4"	19.041099
"405797"	2556.165418	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+Na"	22.989218
"766793"	3822.753518	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+Na"	22.989218
"1614162"	1289.577318	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Na"	22.989218
"326019"	1278.586347	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+H+Na"	23.996494
"718075"	1911.880397	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+H+Na"	23.996494
"1474089"	645.292297	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H+Na"	23.996494
"1066243"	430.530623333333	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2H+Na"	25.00377
"1267549"	1299.621586	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+CH3OH+H"	33.033486
"388311"	2572.139358	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+K"	38.963158
"752228"	3838.727458	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+K"	38.963158
"1552094"	1305.551258	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+K"	38.963158
"306720"	1286.573317	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+H+K"	39.970434
"701700"	1919.867367	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+H+K"	39.970434
"1458076"	653.279267	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H+K"	39.970434
"246674"	2575.210026	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+ACN+H"	42.033826
"1224862"	1308.621926	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+ACN+H"	42.033826
"1208381"	654.814601	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+ACN+2H"	43.041102
"203682"	2578.14736	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+2Na-H"	44.97116
"644085"	3844.73546	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+2Na-H"	44.97116
"1146906"	1311.55926	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2Na-H"	44.97116
"187942"	1289.577318	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+2Na"	45.978436
"628454"	1922.871368	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+2Na"	45.978436
"1131004"	656.283268	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2Na"	45.978436
"1413226"	437.857937333333	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H+2Na"	46.985712
"1445229"	1313.600846	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H+HCOOH"	47.012746
"234673"	1294.61034	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+3H2O+2H"	56.04448
"1523953"	1327.65289	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+IsoProp+H"	61.06479
"423883"	1297.564288	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+Na+K"	61.952376
"785121"	1930.858338	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+Na+K"	61.952376
"1681087"	664.270238	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Na+K"	61.952376
"265415"	2597.191968	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+ACN+Na"	64.015768
"1239705"	1330.603868	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+ACN+Na"	64.015768
"1726768"	1330.627393	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+NH4+HCOOH"	64.039293
"1190537"	445.185251333333	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+3Na"	68.967654
"1664448"	1335.582788	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Na+HCOOH"	68.994688
"172524"	2610.09524	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+2K-H"	76.91904
"609770"	3876.68334	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+2K-H"	76.91904
"1097935"	1343.50714	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2K-H"	76.91904
"156330"	1305.551258	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"2M+2K"	77.926316
"596013"	1938.845308	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"3M+2K"	77.926316
"1081007"	672.257208	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2K"	77.926316
"1113974"	1345.521692	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2K+H"	78.933592
"1350605"	1345.609307	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+DMSO+H"	79.021207
"1021245"	1349.648476	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2ACN+H"	83.060376
"1537743"	1350.642108	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+IsoProp+Na+H"	84.054008
"1001518"	675.327876	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+2ACN+2H"	84.067652
"1598208"	1351.556728	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+K+HCOOH"	84.968628
"1427146"	1381.588238	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+H+CF3COOH"	115.000138
"1158526"	695.841151	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+3ACN+2H"	125.094202
"1699330"	1398.614785	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+NH4+CF3COOH"	132.026685
"1643732"	1403.57018	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+Na+CF3COOH"	136.98208
"1575008"	1419.54412	"C17443"	"Platycodin A"	"C59H94O29"	"1266.5881"	"M+K+CF3COOH"	152.95602
"811934"	456.2148	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M"	0
"978905"	437.19641	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-H2O-H"	-19.01839
"69335"	303.135924	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M-3H"	-3.021828
"508895"	455.207524	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M-3H"	-3.021828
"883415"	151.064324	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-3H"	-3.021828
"11835"	455.207524	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M-2H"	-2.014552
"455166"	683.314924	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M-2H"	-2.014552
"832755"	227.100124	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-2H"	-2.014552
"94243"	911.422324	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M-H"	-1.007276
"533249"	1367.637124	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M-H"	-1.007276
"911053"	455.207524	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-H"	-1.007276
"52182"	928.448871	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M-2H+NH4"	16.019271
"495024"	1384.663671	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M-2H+NH4"	16.019271
"875017"	472.234071	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-2H+NH4"	16.019271
"42188"	933.404266	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M-2H+Na"	20.974666
"482484"	1389.619066	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M-2H+Na"	20.974666
"857005"	477.189466	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-2H+Na"	20.974666
"1626534"	477.189466	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Na-2H"	20.974666
"98688"	473.195863	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M-H+Cl"	33.962126
"540435"	701.303263	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M-H+Cl"	33.962126
"931033"	245.088463	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-H+Cl"	33.962126
"269955"	947.399002	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+Cl"	34.969402
"670403"	1403.613802	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+Cl"	34.969402
"1282807"	491.184202	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Cl"	34.969402
"24271"	949.378206	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M-2H+K"	36.948606
"460549"	1405.593006	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M-2H+K"	36.948606
"833368"	493.163406	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-2H+K"	36.948606
"1564030"	493.163406	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+K-2H"	36.948606
"946811"	501.212994	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-H+HCOOH"	44.998194
"365752"	957.427801	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+HCOOH-H"	44.998201
"348907"	971.443451	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+Hac-H"	59.013851
"1495913"	515.228651	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Hac-H"	59.013851
"963824"	523.194951	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-H+NaCOOH"	66.980151
"123669"	491.184202	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+2Cl"	69.938804
"559948"	719.291602	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+2Cl"	69.938804
"1023277"	263.076802	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2Cl"	69.938804
"1250513"	535.133685	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Br"	78.918885
"1308585"	537.189672	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Cl+HCOOH"	80.974872
"1323532"	559.171629	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Cl+NaCOOH"	102.956829
"914952"	569.200386	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M-H+CF3COOH"	112.985586
"1289839"	605.177064	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Cl+CF3COOH"	148.962264
"1369823"	421.202124	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H-2H2O"	-35.012676
"1387317"	439.2121	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H-H2O"	-17.0027
"285914"	913.436876	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+H"	1.007276
"676147"	1369.651676	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+H"	1.007276
"1354318"	457.222076	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H"	1.007276
"129028"	457.222076	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+2H"	2.014552
"571517"	685.329476	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+2H"	2.014552
"1039585"	229.114676	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2H"	2.014552
"212594"	305.150476	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+3H"	3.021828
"649968"	457.222076	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+3H"	3.021828
"1168094"	153.078876	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+3H"	3.021828
"429179"	930.463423	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+NH4"	18.033823
"790173"	1386.678223	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+NH4"	18.033823
"1686502"	474.248623	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+NH4"	18.033823
"343901"	465.7353495	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+H+NH4"	19.041099
"735226"	693.8427495	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+H+NH4"	19.041099
"1484305"	237.6279495	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H+NH4"	19.041099
"400799"	935.418818	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+Na"	22.989218
"766173"	1391.633618	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+Na"	22.989218
"1613177"	479.204018	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Na"	22.989218
"322118"	468.213047	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+H+Na"	23.996494
"716727"	696.320447	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+H+Na"	23.996494
"1475656"	240.105647	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H+Na"	23.996494
"1068175"	160.40619	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2H+Na"	25.00377
"1267659"	489.248286	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+CH3OH+H"	33.033486
"388421"	951.392758	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+K"	38.963158
"753430"	1407.607558	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+K"	38.963158
"1554388"	495.177958	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+K"	38.963158
"309380"	476.200017	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+H+K"	39.970434
"703266"	704.307417	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+H+K"	39.970434
"1457086"	248.092617	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H+K"	39.970434
"247877"	954.463426	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+ACN+H"	42.033826
"1224610"	498.248626	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+ACN+H"	42.033826
"1208371"	249.627951	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+ACN+2H"	43.041102
"202213"	957.40076	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+2Na-H"	44.97116
"644055"	1413.61556	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+2Na-H"	44.97116
"1146629"	501.18596	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2Na-H"	44.97116
"188289"	479.204018	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+2Na"	45.978436
"627414"	707.311418	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+2Na"	45.978436
"1130915"	251.096618	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2Na"	45.978436
"1412609"	167.733504	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H+2Na"	46.985712
"1445218"	503.227546	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H+HCOOH"	47.012746
"235150"	484.23704	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+3H2O+2H"	56.04448
"1523942"	517.27959	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+IsoProp+H"	61.06479
"421678"	487.190988	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+Na+K"	61.952376
"784255"	715.298388	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+Na+K"	61.952376
"1676085"	259.083588	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Na+K"	61.952376
"260419"	976.445368	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+ACN+Na"	64.015768
"1237501"	520.230568	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+ACN+Na"	64.015768
"1718733"	520.254093	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+NH4+HCOOH"	64.039293
"1187367"	175.060818	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+3Na"	68.967654
"1664806"	525.209488	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Na+HCOOH"	68.994688
"170322"	989.34864	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+2K-H"	76.91904
"610244"	1445.56344	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+2K-H"	76.91904
"1099266"	533.13384	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2K-H"	76.91904
"156693"	495.177958	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"2M+2K"	77.926316
"596976"	723.285358	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"3M+2K"	77.926316
"1083792"	267.070558	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2K"	77.926316
"1115412"	535.148392	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2K+H"	78.933592
"1349376"	535.236007	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+DMSO+H"	79.021207
"1021112"	539.275176	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2ACN+H"	83.060376
"1537367"	540.268808	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+IsoProp+Na+H"	84.054008
"1000535"	270.141226	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+2ACN+2H"	84.067652
"1599411"	541.183428	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+K+HCOOH"	84.968628
"1427985"	571.214938	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+H+CF3COOH"	115.000138
"1158637"	290.654501	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+3ACN+2H"	125.094202
"1702720"	588.241485	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+NH4+CF3COOH"	132.026685
"1643842"	593.19688	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+Na+CF3COOH"	136.98208
"1584959"	609.17082	"C17444"	"Kurarinol"	"C26H32O7"	"456.2148"	"M+K+CF3COOH"	152.95602
"812044"	456.2148	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M"	0
"976462"	437.19641	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-H2O-H"	-19.01839
"68352"	303.135924	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M-3H"	-3.021828
"505724"	455.207524	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M-3H"	-3.021828
"883889"	151.064324	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-3H"	-3.021828
"10850"	455.207524	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M-2H"	-2.014552
"455525"	683.314924	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M-2H"	-2.014552
"831497"	227.100124	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-2H"	-2.014552
"93966"	911.422324	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M-H"	-1.007276
"533723"	1367.637124	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M-H"	-1.007276
"911084"	455.207524	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-H"	-1.007276
"52293"	928.448871	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M-2H+NH4"	16.019271
"494039"	1384.663671	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M-2H+NH4"	16.019271
"871843"	472.234071	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-2H+NH4"	16.019271
"43024"	933.404266	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M-2H+Na"	20.974666
"482583"	1389.619066	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M-2H+Na"	20.974666
"858207"	477.189466	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-2H+Na"	20.974666
"1628832"	477.189466	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Na-2H"	20.974666
"103173"	473.195863	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M-H+Cl"	33.962126
"537265"	701.303263	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M-H+Cl"	33.962126
"929686"	245.088463	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-H+Cl"	33.962126
"274074"	947.399002	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+Cl"	34.969402
"668326"	1403.613802	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+Cl"	34.969402
"1279637"	491.184202	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Cl"	34.969402
"23287"	949.378206	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M-2H+K"	36.948606
"459565"	1405.593006	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M-2H+K"	36.948606
"834449"	493.163406	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-2H+K"	36.948606
"1565233"	493.163406	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+K-2H"	36.948606
"956398"	501.212994	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-H+HCOOH"	44.998194
"365499"	957.427801	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+HCOOH-H"	44.998201
"349017"	971.443451	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+Hac-H"	59.013851
"1495658"	515.228651	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Hac-H"	59.013851
"962475"	523.194951	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-H+NaCOOH"	66.980151
"118310"	491.184202	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+2Cl"	69.938804
"560058"	719.291602	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+2Cl"	69.938804
"1023386"	263.076802	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2Cl"	69.938804
"1250623"	535.133685	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Br"	78.918885
"1308695"	537.189672	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Cl+HCOOH"	80.974872
"1324369"	559.171629	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Cl+NaCOOH"	102.956829
"912873"	569.200386	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M-H+CF3COOH"	112.985586
"1292866"	605.177064	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Cl+CF3COOH"	148.962264
"1372119"	421.202124	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H-2H2O"	-35.012676
"1384877"	439.2121	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H-H2O"	-17.0027
"286390"	913.436876	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+H"	1.007276
"677716"	1369.651676	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+H"	1.007276
"1353700"	457.222076	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H"	1.007276
"134243"	457.222076	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+2H"	2.014552
"571627"	685.329476	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+2H"	2.014552
"1039695"	229.114676	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2H"	2.014552
"213798"	305.150476	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+3H"	3.021828
"648985"	457.222076	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+3H"	3.021828
"1169299"	153.078876	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+3H"	3.021828
"428196"	930.463423	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+NH4"	18.033823
"789190"	1386.678223	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+NH4"	18.033823
"1683697"	474.248623	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+NH4"	18.033823
"345389"	465.7353495	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+H+NH4"	19.041099
"736064"	693.8427495	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+H+NH4"	19.041099
"1483322"	237.6279495	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H+NH4"	19.041099
"399815"	935.418818	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+Na"	22.989218
"768469"	1391.633618	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+Na"	22.989218
"1615473"	479.204018	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Na"	22.989218
"322228"	468.213047	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+H+Na"	23.996494
"714648"	696.320447	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+H+Na"	23.996494
"1476779"	240.105647	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H+Na"	23.996494
"1068312"	160.40619	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2H+Na"	25.00377
"1267769"	489.248286	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+CH3OH+H"	33.033486
"389624"	951.392758	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+K"	38.963158
"749527"	1407.607558	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+K"	38.963158
"1554862"	495.177958	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+K"	38.963158
"307668"	476.200017	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+H+K"	39.970434
"704469"	704.307417	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+H+K"	39.970434
"1458289"	248.092617	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H+K"	39.970434
"245800"	954.463426	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+ACN+H"	42.033826
"1222161"	498.248626	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+ACN+H"	42.033826
"1208238"	249.627951	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+ACN+2H"	43.041102
"202080"	957.40076	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+2Na-H"	44.97116
"643474"	1413.61556	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+2Na-H"	44.97116
"1146619"	501.18596	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2Na-H"	44.97116
"187834"	479.204018	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+2Na"	45.978436
"628255"	707.311418	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+2Na"	45.978436
"1130656"	251.096618	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2Na"	45.978436
"1412961"	167.733504	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H+2Na"	46.985712
"1443253"	503.227546	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H+HCOOH"	47.012746
"234652"	484.23704	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+3H2O+2H"	56.04448
"1520281"	517.27959	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+IsoProp+H"	61.06479
"420694"	487.190988	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+Na+K"	61.952376
"782052"	715.298388	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+Na+K"	61.952376
"1677291"	259.083588	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Na+K"	61.952376
"260529"	976.445368	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+ACN+Na"	64.015768
"1235424"	520.230568	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+ACN+Na"	64.015768
"1716656"	520.254093	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+NH4+HCOOH"	64.039293
"1182010"	175.060818	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+3Na"	68.967654
"1664546"	525.209488	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Na+HCOOH"	68.994688
"170068"	989.34864	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+2K-H"	76.91904
"610354"	1445.56344	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+2K-H"	76.91904
"1099250"	533.13384	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2K-H"	76.91904
"156431"	495.177958	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"2M+2K"	77.926316
"594531"	723.285358	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"3M+2K"	77.926316
"1082808"	267.070558	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2K"	77.926316
"1114931"	535.148392	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2K+H"	78.933592
"1350704"	535.236007	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+DMSO+H"	79.021207
"1020813"	539.275176	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2ACN+H"	83.060376
"1535290"	540.268808	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+IsoProp+Na+H"	84.054008
"1001738"	270.141226	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+2ACN+2H"	84.067652
"1601343"	541.183428	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+K+HCOOH"	84.968628
"1427366"	571.214938	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+H+CF3COOH"	115.000138
"1156561"	290.654501	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+3ACN+2H"	125.094202
"1702830"	588.241485	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+NH4+CF3COOH"	132.026685
"1643952"	593.19688	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+Na+CF3COOH"	136.98208
"1585069"	609.17082	"C17445"	"Kuraridinol"	"C26H32O7"	"456.2148"	"M+K+CF3COOH"	152.95602
"808874"	438.2042	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M"	0
"978031"	419.18581	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-H2O-H"	-19.01839
"71742"	291.128857333333	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M-3H"	-3.021828
"505834"	437.196924	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M-3H"	-3.021828
"883635"	145.060790666667	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-3H"	-3.021828
"12784"	437.196924	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M-2H"	-2.014552
"455349"	656.299024	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M-2H"	-2.014552
"832338"	218.094824	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-2H"	-2.014552
"93872"	875.401124	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M-H"	-1.007276
"531765"	1313.605324	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M-H"	-1.007276
"909325"	437.196924	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-H"	-1.007276
"52403"	892.427671	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M-2H+NH4"	16.019271
"495243"	1330.631871	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M-2H+NH4"	16.019271
"871953"	454.223471	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-2H+NH4"	16.019271
"42040"	897.383066	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M-2H+Na"	20.974666
"481599"	1335.587266	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M-2H+Na"	20.974666
"859403"	459.178866	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-2H+Na"	20.974666
"1630032"	459.178866	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Na-2H"	20.974666
"106562"	455.185263	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M-H+Cl"	33.962126
"548309"	674.287363	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M-H+Cl"	33.962126
"929066"	236.083163	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-H+Cl"	33.962126
"273819"	911.377802	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+Cl"	34.969402
"669529"	1349.582002	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+Cl"	34.969402
"1280840"	473.173602	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Cl"	34.969402
"23397"	913.357006	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M-2H+K"	36.948606
"460040"	1351.561206	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M-2H+K"	36.948606
"834924"	475.152806	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-2H+K"	36.948606
"1566073"	475.152806	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+K-2H"	36.948606
"954321"	483.202394	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-H+HCOOH"	44.998194
"369255"	921.406601	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+HCOOH-H"	44.998201
"350220"	935.422251	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+Hac-H"	59.013851
"1493945"	497.218051	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Hac-H"	59.013851
"963678"	505.184351	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-H+NaCOOH"	66.980151
"118420"	473.173602	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+2Cl"	69.938804
"561261"	692.275702	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+2Cl"	69.938804
"1023497"	254.071502	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2Cl"	69.938804
"1250733"	517.123085	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Br"	78.918885
"1307711"	519.179072	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Cl+HCOOH"	80.974872
"1323386"	541.161029	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Cl+NaCOOH"	102.956829
"912984"	551.189786	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M-H+CF3COOH"	112.985586
"1294070"	587.166464	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Cl+CF3COOH"	148.962264
"1373322"	403.191524	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H-2H2O"	-35.012676
"1384259"	421.2015	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H-H2O"	-17.0027
"286500"	877.415676	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+H"	1.007276
"677826"	1315.619876	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+H"	1.007276
"1355998"	439.211476	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H"	1.007276
"134353"	439.211476	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+2H"	2.014552
"574653"	658.313576	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+2H"	2.014552
"1041628"	220.109376	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2H"	2.014552
"213907"	293.143409333333	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+3H"	3.021828
"648002"	439.211476	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+3H"	3.021828
"1170503"	147.075342666667	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+3H"	3.021828
"428670"	894.442223	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+NH4"	18.033823
"792579"	1332.646423	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+NH4"	18.033823
"1686722"	456.238023	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+NH4"	18.033823
"341567"	447.7247495	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+H+NH4"	19.041099
"731800"	666.8268495	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+H+NH4"	19.041099
"1484525"	228.6226495	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H+NH4"	19.041099
"398831"	899.397618	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+Na"	22.989218
"760919"	1337.601818	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+Na"	22.989218
"1610111"	461.193418	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Na"	22.989218
"322334"	450.202447	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+H+Na"	23.996494
"714394"	669.304547	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+H+Na"	23.996494
"1466390"	231.100347	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H+Na"	23.996494
"1057451"	154.402656666667	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2H+Na"	25.00377
"1262408"	471.237686	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+CH3OH+H"	33.033486
"382076"	915.371558	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+K"	38.963158
"745261"	1353.575758	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+K"	38.963158
"1554244"	477.167358	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+K"	38.963158
"311059"	458.189417	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+H+K"	39.970434
"705917"	677.291517	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+H+K"	39.970434
"1459492"	239.087317	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H+K"	39.970434
"247003"	918.442226	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+ACN+H"	42.033826
"1223366"	480.238026	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+ACN+H"	42.033826
"1207979"	240.622651	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+ACN+2H"	43.041102
"202675"	921.37956	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+2Na-H"	44.97116
"643704"	1359.58376	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+2Na-H"	44.97116
"1146648"	483.17536	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2Na-H"	44.97116
"187823"	461.193418	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+2Na"	45.978436
"628281"	680.295518	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+2Na"	45.978436
"1130895"	242.091318	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2Na"	45.978436
"1413681"	161.729970666667	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H+2Na"	46.985712
"1444822"	485.216946	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H+HCOOH"	47.012746
"235249"	466.22644	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+3H2O+2H"	56.04448
"1521483"	499.26899	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+IsoProp+H"	61.06479
"421168"	469.180388	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+Na+K"	61.952376
"783985"	688.282488	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+Na+K"	61.952376
"1679222"	250.078288	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Na+K"	61.952376
"263919"	940.424168	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+ACN+Na"	64.015768
"1238450"	502.219968	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+ACN+Na"	64.015768
"1720047"	502.243493	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+NH4+HCOOH"	64.039293
"1186494"	169.057284666667	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+3Na"	68.967654
"1661857"	507.198888	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Na+HCOOH"	68.994688
"163250"	953.32744	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+2K-H"	76.91904
"600623"	1391.53164	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+2K-H"	76.91904
"1099807"	515.12324	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2K-H"	76.91904
"156301"	477.167358	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"2M+2K"	77.926316
"596105"	696.269458	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"3M+2K"	77.926316
"1083655"	258.065258	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2K"	77.926316
"1115285"	517.137792	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2K+H"	78.933592
"1350692"	517.225407	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+DMSO+H"	79.021207
"1020926"	521.264576	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2ACN+H"	83.060376
"1535400"	522.258208	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+IsoProp+Na+H"	84.054008
"1001848"	261.135926	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+2ACN+2H"	84.067652
"1598537"	523.172828	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+K+HCOOH"	84.968628
"1427476"	553.204338	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+H+CF3COOH"	115.000138
"1155576"	281.649201	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+3ACN+2H"	125.094202
"1698201"	570.230885	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+NH4+CF3COOH"	132.026685
"1642969"	575.18628	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+Na+CF3COOH"	136.98208
"1585179"	591.16022	"C17446"	"Kurarinone"	"C26H30O6"	"438.2042"	"M+K+CF3COOH"	152.95602
"808984"	244.1827	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M"	0
"978141"	225.16431	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-H2O-H"	-19.01839
"71852"	161.781190666667	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M-3H"	-3.021828
"505944"	243.175424	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M-3H"	-3.021828
"880465"	80.3869573333333	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-3H"	-3.021828
"12165"	243.175424	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M-2H"	-2.014552
"455254"	365.266774	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M-2H"	-2.014552
"831962"	121.084074	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-2H"	-2.014552
"93414"	487.358124	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M-H"	-1.007276
"531754"	731.540824	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M-H"	-1.007276
"908706"	243.175424	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-H"	-1.007276
"50326"	504.384671	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M-2H+NH4"	16.019271
"495352"	748.567371	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M-2H+NH4"	16.019271
"872063"	260.201971	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-2H+NH4"	16.019271
"42150"	509.340066	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M-2H+Na"	20.974666
"479523"	753.522766	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M-2H+Na"	20.974666
"856234"	265.157366	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-2H+Na"	20.974666
"1631235"	265.157366	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Na-2H"	20.974666
"106672"	261.163763	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M-H+Cl"	33.962126
"546233"	383.255113	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M-H+Cl"	33.962126
"929905"	139.072413	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-H+Cl"	33.962126
"272837"	523.334802	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+Cl"	34.969402
"666354"	767.517502	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+Cl"	34.969402
"1279852"	279.152102	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Cl"	34.969402
"23507"	525.314006	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M-2H+K"	36.948606
"457963"	769.496706	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M-2H+K"	36.948606
"835034"	281.131306	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-2H+K"	36.948606
"1565454"	281.131306	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+K-2H"	36.948606
"955524"	289.180894	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-H+HCOOH"	44.998194
"369365"	533.363601	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+HCOOH-H"	44.998201
"349966"	547.379251	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+Hac-H"	59.013851
"1493043"	303.196551	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Hac-H"	59.013851
"963424"	311.162851	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-H+NaCOOH"	66.980151
"118530"	279.152102	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+2Cl"	69.938804
"561371"	401.243452	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+2Cl"	69.938804
"1022514"	157.060752	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2Cl"	69.938804
"1245374"	323.101585	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Br"	78.918885
"1308916"	325.157572	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Cl+HCOOH"	80.974872
"1325320"	347.139529	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Cl+NaCOOH"	102.956829
"916742"	357.168286	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M-H+CF3COOH"	112.985586
"1291991"	393.144964	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Cl+CF3COOH"	148.962264
"1372339"	209.170024	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H-2H2O"	-35.012676
"1383152"	227.18	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H-H2O"	-17.0027
"283611"	489.372676	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+H"	1.007276
"675675"	733.555376	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+H"	1.007276
"1353193"	245.189976	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H"	1.007276
"128998"	245.189976	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+2H"	2.014552
"574399"	367.281326	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+2H"	2.014552
"1041009"	123.098626	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2H"	2.014552
"212924"	163.795742666667	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+3H"	3.021828
"648112"	245.189976	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+3H"	3.021828
"1170613"	82.4015093333333	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+3H"	3.021828
"429509"	506.399223	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+NH4"	18.033823
"791596"	750.581923	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+NH4"	18.033823
"1684645"	262.216523	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+NH4"	18.033823
"340583"	253.7032495	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+H+NH4"	19.041099
"733003"	375.7945995	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+H+NH4"	19.041099
"1484633"	131.6118995	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H+NH4"	19.041099
"400034"	511.354618	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+Na"	22.989218
"762122"	755.537318	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+Na"	22.989218
"1608033"	267.171918	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Na"	22.989218
"320257"	256.180947	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+H+Na"	23.996494
"715598"	378.272297	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+H+Na"	23.996494
"1468688"	134.089597	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H+Na"	23.996494
"1056468"	89.7288233333333	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2H+Na"	25.00377
"1265800"	277.216186	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+CH3OH+H"	33.033486
"382186"	527.328558	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+K"	38.963158
"744278"	771.511258	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+K"	38.963158
"1547425"	283.145858	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+K"	38.963158
"310075"	264.167917	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+H+K"	39.970434
"693022"	386.259267	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+H+K"	39.970434
"1445867"	142.076567	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H+K"	39.970434
"242734"	530.399226	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+ACN+H"	42.033826
"1220554"	286.216526	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+ACN+H"	42.033826
"1205533"	143.611901	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+ACN+2H"	43.041102
"199858"	533.33656	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+2Na-H"	44.97116
"637963"	777.51926	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+2Na-H"	44.97116
"1144019"	289.15386	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2Na-H"	44.97116
"185856"	267.171918	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+2Na"	45.978436
"627607"	389.263268	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+2Na"	45.978436
"1130019"	145.080568	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2Na"	45.978436
"1410625"	97.0561373333333	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H+2Na"	46.985712
"1440552"	291.195446	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H+HCOOH"	47.012746
"230246"	272.20494	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+3H2O+2H"	56.04448
"1519404"	305.24749	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+IsoProp+H"	61.06479
"421277"	275.158888	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+Na+K"	61.952376
"780085"	397.250238	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+Na+K"	61.952376
"1676416"	153.067538	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Na+K"	61.952376
"264030"	552.381168	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+ACN+Na"	64.015768
"1239653"	308.198468	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+ACN+Na"	64.015768
"1723437"	308.221993	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+NH4+HCOOH"	64.039293
"1188791"	104.383451333333	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+3Na"	68.967654
"1660873"	313.177388	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Na+HCOOH"	68.994688
"163360"	565.28444	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+2K-H"	76.91904
"600733"	809.46714	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+2K-H"	76.91904
"1086339"	321.10174	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2K-H"	76.91904
"156726"	283.145858	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"2M+2K"	77.926316
"591464"	405.237208	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"3M+2K"	77.926316
"1083026"	161.054508	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2K"	77.926316
"1114901"	323.116292	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2K+H"	78.933592
"1350436"	323.203907	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+DMSO+H"	79.021207
"1021239"	327.243076	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2ACN+H"	83.060376
"1535510"	328.236708	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+IsoProp+Na+H"	84.054008
"1001958"	164.125176	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+2ACN+2H"	84.067652
"1598647"	329.151328	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+K+HCOOH"	84.968628
"1428316"	359.182838	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+H+CF3COOH"	115.000138
"1155686"	184.638451	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+3ACN+2H"	125.094202
"1703050"	376.209385	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+NH4+CF3COOH"	132.026685
"1643079"	381.16478	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+Na+CF3COOH"	136.98208
"1585289"	397.13872	"C17447"	"(3S9Z)-19-Heptadecadiene-46-diyn-3-ol;()-Falcarinol"	"C17H24O"	"244.1827"	"M+K+CF3COOH"	152.95602
"812374"	450.1162	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M"	0
"979345"	431.09781	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-H2O-H"	-19.01839
"71962"	299.070190666667	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M-3H"	-3.021828
"509334"	449.108924	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M-3H"	-3.021828
"883855"	149.031457333333	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-3H"	-3.021828
"406"	449.108924	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M-2H"	-2.014552
"453661"	674.167024	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M-2H"	-2.014552
"830368"	224.050824	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-2H"	-2.014552
"91332"	899.225124	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M-H"	-1.007276
"530283"	1349.341324	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M-H"	-1.007276
"909181"	449.108924	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-H"	-1.007276
"53716"	916.251671	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M-2H+NH4"	16.019271
"498743"	1366.367871	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M-2H+NH4"	16.019271
"869987"	466.135471	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-2H+NH4"	16.019271
"38981"	921.207066	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M-2H+Na"	20.974666
"482550"	1371.323266	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M-2H+Na"	20.974666
"859626"	471.090866	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-2H+Na"	20.974666
"1631347"	471.090866	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Na-2H"	20.974666
"108727"	467.097263	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M-H+Cl"	33.962126
"549833"	692.155363	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M-H+Cl"	33.962126
"931110"	242.039163	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-H+Cl"	33.962126
"279143"	935.201802	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+Cl"	34.969402
"666464"	1385.318002	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+Cl"	34.969402
"1279959"	485.085602	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Cl"	34.969402
"27991"	937.181006	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M-2H+K"	36.948606
"459896"	1387.297206	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M-2H+K"	36.948606
"838792"	487.064806	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-2H+K"	36.948606
"1565564"	487.064806	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+K-2H"	36.948606
"953448"	495.114394	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-H+HCOOH"	44.998194
"366195"	945.230601	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+HCOOH-H"	44.998201
"349347"	959.246251	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+Hac-H"	59.013851
"1494896"	509.130051	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Hac-H"	59.013851
"962805"	517.096351	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-H+NaCOOH"	66.980151
"118640"	485.085602	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+2Cl"	69.938804
"558201"	710.143702	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+2Cl"	69.938804
"1021571"	260.027502	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2Cl"	69.938804
"1245849"	529.035085	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Br"	78.918885
"1306110"	531.091072	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Cl+HCOOH"	80.974872
"1324701"	553.073029	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Cl+NaCOOH"	102.956829
"914665"	563.101786	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M-H+CF3COOH"	112.985586
"1292466"	599.078464	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Cl+CF3COOH"	148.962264
"1371356"	415.103524	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H-2H2O"	-35.012676
"1385210"	433.1135	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H-H2O"	-17.0027
"283439"	901.239676	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+H"	1.007276
"678048"	1351.355876	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+H"	1.007276
"1355127"	451.123476	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H"	1.007276
"132389"	451.123476	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+2H"	2.014552
"575237"	676.181576	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+2H"	2.014552
"1041848"	226.065376	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2H"	2.014552
"213034"	301.084742666667	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+3H"	3.021828
"648222"	451.123476	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+3H"	3.021828
"1171816"	151.046009333333	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+3H"	3.021828
"429619"	918.266223	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+NH4"	18.033823
"787333"	1368.382423	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+NH4"	18.033823
"1685848"	468.150023	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+NH4"	18.033823
"336317"	459.6367495	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+H+NH4"	19.041099
"730926"	684.6948495	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+H+NH4"	19.041099
"1481464"	234.5786495	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H+NH4"	19.041099
"400143"	923.221618	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+Na"	22.989218
"760046"	1373.337818	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+Na"	22.989218
"1608143"	473.105418	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Na"	22.989218
"320367"	462.114447	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+H+Na"	23.996494
"715707"	687.172547	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+H+Na"	23.996494
"1468433"	237.056347	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H+Na"	23.996494
"1058760"	158.373323333333	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2H+Na"	25.00377
"1264817"	483.149686	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+CH3OH+H"	33.033486
"384482"	939.195558	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+K"	38.963158
"747668"	1389.311758	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+K"	38.963158
"1545348"	489.079358	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+K"	38.963158
"310185"	470.101417	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+H+K"	39.970434
"698235"	695.159517	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+H+K"	39.970434
"1446587"	245.043317	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H+K"	39.970434
"237372"	942.266226	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+ACN+H"	42.033826
"1224674"	492.150026	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+ACN+H"	42.033826
"1209612"	246.578651	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+ACN+2H"	43.041102
"200334"	945.20356	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+2Na-H"	44.97116
"642446"	1395.31976	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+2Na-H"	44.97116
"1146804"	495.08736	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2Na-H"	44.97116
"187427"	473.105418	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+2Na"	45.978436
"628201"	698.163518	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+2Na"	45.978436
"1130698"	248.047318	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2Na"	45.978436
"1412557"	165.700637333333	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H+2Na"	46.985712
"1443942"	497.128946	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H+HCOOH"	47.012746
"232543"	478.13844	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+3H2O+2H"	56.04448
"1520608"	511.18099	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+IsoProp+H"	61.06479
"423575"	481.092388	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+Na+K"	61.952376
"782018"	706.150488	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+Na+K"	61.952376
"1678713"	256.034288	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Na+K"	61.952376
"265963"	964.248168	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+ACN+Na"	64.015768
"1238305"	514.131968	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+ACN+Na"	64.015768
"1723547"	514.155493	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+NH4+HCOOH"	64.039293
"1189994"	173.027951333333	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+3Na"	68.967654
"1658796"	519.110888	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Na+HCOOH"	68.994688
"164563"	977.15144	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+2K-H"	76.91904
"601936"	1427.26764	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+2K-H"	76.91904
"1086449"	527.03524	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2K-H"	76.91904
"155783"	489.079358	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"2M+2K"	77.926316
"591574"	714.137458	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"3M+2K"	77.926316
"1082286"	264.021258	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2K"	77.926316
"1114037"	529.049792	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2K+H"	78.933592
"1349570"	529.137407	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+DMSO+H"	79.021207
"1020533"	533.176576	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2ACN+H"	83.060376
"1533433"	534.170208	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+IsoProp+Na+H"	84.054008
"999880"	267.091926	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+2ACN+2H"	84.067652
"1598757"	535.084828	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+K+HCOOH"	84.968628
"1428789"	565.116338	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+H+CF3COOH"	115.000138
"1155796"	287.605201	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+3ACN+2H"	125.094202
"1700973"	582.142885	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+NH4+CF3COOH"	132.026685
"1643189"	587.09828	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+Na+CF3COOH"	136.98208
"1575558"	603.07222	"C17449"	"Astilbin"	"C21H22O11"	"450.1162"	"M+K+CF3COOH"	152.95602
"814671"	390.2254	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M"	0
"978361"	371.20701	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-H2O-H"	-19.01839
"78394"	259.142990666667	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M-3H"	-3.021828
"513817"	389.218124	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M-3H"	-3.021828
"893805"	129.067857333333	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-3H"	-3.021828
"6916"	389.218124	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M-2H"	-2.014552
"453040"	584.330824	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M-2H"	-2.014552
"831937"	194.105424	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-2H"	-2.014552
"92292"	779.443524	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M-H"	-1.007276
"532580"	1169.668924	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M-H"	-1.007276
"910019"	389.218124	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-H"	-1.007276
"54918"	796.470071	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M-2H+NH4"	16.019271
"495571"	1186.695471	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M-2H+NH4"	16.019271
"873377"	406.244671	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-2H+NH4"	16.019271
"40184"	801.425466	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M-2H+Na"	20.974666
"480836"	1191.650866	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M-2H+Na"	20.974666
"859735"	411.200066	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-2H+Na"	20.974666
"1632309"	411.200066	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Na-2H"	20.974666
"105799"	407.206463	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M-H+Cl"	33.962126
"546451"	602.319163	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M-H+Cl"	33.962126
"930126"	212.093763	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-H+Cl"	33.962126
"273057"	815.420202	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+Cl"	34.969402
"664387"	1205.645602	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+Cl"	34.969402
"1274114"	425.194802	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Cl"	34.969402
"24821"	817.399406	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M-2H+K"	36.948606
"463287"	1207.624806	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M-2H+K"	36.948606
"838902"	427.174006	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-2H+K"	36.948606
"1560571"	427.174006	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+K-2H"	36.948606
"947362"	435.223594	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-H+HCOOH"	44.998194
"361575"	825.449001	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+HCOOH-H"	44.998201
"346093"	839.464651	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+Hac-H"	59.013851
"1493913"	449.239251	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Hac-H"	59.013851
"960728"	457.205551	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-H+NaCOOH"	66.980151
"113282"	425.194802	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+2Cl"	69.938804
"557218"	620.307502	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+2Cl"	69.938804
"1021515"	230.082102	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2Cl"	69.938804
"1241781"	469.144285	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Br"	78.918885
"1304878"	471.200272	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Cl+HCOOH"	80.974872
"1324811"	493.182229	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Cl+NaCOOH"	102.956829
"916596"	503.210986	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M-H+CF3COOH"	112.985586
"1295491"	539.187664	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Cl+CF3COOH"	148.962264
"1368670"	355.212724	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H-2H2O"	-35.012676
"1387872"	373.2227	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H-H2O"	-17.0027
"284640"	781.458076	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+H"	1.007276
"677063"	1171.683476	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+H"	1.007276
"1356694"	391.232676	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H"	1.007276
"132499"	391.232676	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+2H"	2.014552
"575347"	586.345376	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+2H"	2.014552
"1041958"	196.119976	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2H"	2.014552
"213144"	261.157542666667	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+3H"	3.021828
"648332"	391.232676	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+3H"	3.021828
"1170833"	131.082409333333	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+3H"	3.021828
"428636"	798.484623	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+NH4"	18.033823
"787443"	1188.710023	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+NH4"	18.033823
"1685957"	408.259223	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+NH4"	18.033823
"334241"	399.7459495	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+H+NH4"	19.041099
"729943"	594.8586495	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+H+NH4"	19.041099
"1484854"	204.6332495	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H+NH4"	19.041099
"401347"	803.440018	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+Na"	22.989218
"762342"	1193.665418	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+Na"	22.989218
"1610440"	413.214618	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Na"	22.989218
"319384"	402.223647	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+H+Na"	23.996494
"713995"	597.336347	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+H+Na"	23.996494
"1467814"	207.110947	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H+Na"	23.996494
"1058869"	138.409723333333	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2H+Na"	25.00377
"1264926"	423.258886	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+CH3OH+H"	33.033486
"385686"	819.413958	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+K"	38.963158
"747778"	1209.639358	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+K"	38.963158
"1543998"	429.188558	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+K"	38.963158
"308108"	410.210617	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+H+K"	39.970434
"695064"	605.323317	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+H+K"	39.970434
"1447790"	215.097917	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H+K"	39.970434
"239670"	822.484626	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+ACN+H"	42.033826
"1223692"	432.259226	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+ACN+H"	42.033826
"1208430"	216.633251	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+ACN+2H"	43.041102
"199715"	825.42196	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+2Na-H"	44.97116
"640371"	1215.64736	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+2Na-H"	44.97116
"1144971"	435.19656	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2Na-H"	44.97116
"186444"	413.214618	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+2Na"	45.978436
"626730"	608.327318	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+2Na"	45.978436
"1128416"	218.101918	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2Na"	45.978436
"1410480"	145.737037333333	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H+2Na"	46.985712
"1440773"	437.238146	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H+HCOOH"	47.012746
"229372"	418.24764	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+3H2O+2H"	56.04448
"1519624"	451.29019	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+IsoProp+H"	61.06479
"420404"	421.201588	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+Na+K"	61.952376
"779212"	616.314288	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+Na+K"	61.952376
"1675543"	226.088888	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Na+K"	61.952376
"262063"	844.466568	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+ACN+Na"	64.015768
"1232583"	454.241168	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+ACN+Na"	64.015768
"1717097"	454.264693	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+NH4+HCOOH"	64.039293
"1183544"	153.064351333333	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+3Na"	68.967654
"1655625"	459.220088	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Na+HCOOH"	68.994688
"164673"	857.36984	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+2K-H"	76.91904
"599858"	1247.59524	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+2K-H"	76.91904
"1086559"	467.14444	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2K-H"	76.91904
"153219"	429.188558	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"2M+2K"	77.926316
"591684"	624.301258	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"3M+2K"	77.926316
"1082396"	234.075858	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2K"	77.926316
"1114391"	469.158992	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2K+H"	78.933592
"1349801"	469.246607	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+DMSO+H"	79.021207
"1019792"	473.285776	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2ACN+H"	83.060376
"1533543"	474.279408	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+IsoProp+Na+H"	84.054008
"999990"	237.146526	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+2ACN+2H"	84.067652
"1598867"	475.194028	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+K+HCOOH"	84.968628
"1428535"	505.225538	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+H+CF3COOH"	115.000138
"1155906"	257.659801	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+3ACN+2H"	125.094202
"1701083"	522.252085	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+NH4+CF3COOH"	132.026685
"1643299"	527.20748	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+Na+CF3COOH"	136.98208
"1575668"	543.18142	"C17450"	"Rehmaionoside A"	"C19H34O8"	"390.2254"	"M+K+CF3COOH"	152.95602
"812594"	390.2254	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M"	0
"975191"	371.20701	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-H2O-H"	-19.01839
"72182"	259.142990666667	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M-3H"	-3.021828
"509554"	389.218124	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M-3H"	-3.021828
"884075"	129.067857333333	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-3H"	-3.021828
"137"	389.218124	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M-2H"	-2.014552
"449869"	584.330824	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M-2H"	-2.014552
"827671"	194.105424	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-2H"	-2.014552
"92036"	779.443524	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M-H"	-1.007276
"531596"	1169.668924	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M-H"	-1.007276
"910616"	389.218124	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-H"	-1.007276
"53936"	796.470071	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M-2H+NH4"	16.019271
"495682"	1186.695471	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M-2H+NH4"	16.019271
"871299"	406.244671	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-2H+NH4"	16.019271
"39201"	801.425466	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M-2H+Na"	20.974666
"480946"	1191.650866	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M-2H+Na"	20.974666
"858753"	411.200066	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-2H+Na"	20.974666
"1628285"	411.200066	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Na-2H"	20.974666
"109759"	407.206463	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M-H+Cl"	33.962126
"544374"	602.319163	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M-H+Cl"	33.962126
"936799"	212.093763	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-H+Cl"	33.962126
"278635"	815.420202	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+Cl"	34.969402
"669964"	1205.645602	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+Cl"	34.969402
"1276900"	425.194802	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Cl"	34.969402
"22745"	817.399406	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M-2H+K"	36.948606
"461211"	1207.624806	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M-2H+K"	36.948606
"842293"	427.174006	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-2H+K"	36.948606
"1562504"	427.174006	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+K-2H"	36.948606
"947836"	435.223594	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-H+HCOOH"	44.998194
"363134"	825.449001	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+HCOOH-H"	44.998201
"347380"	839.464651	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+Hac-H"	59.013851
"1494754"	449.239251	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Hac-H"	59.013851
"960839"	457.205551	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-H+NaCOOH"	66.980151
"115580"	425.194802	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+2Cl"	69.938804
"557692"	620.307502	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+2Cl"	69.938804
"1021871"	230.082102	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2Cl"	69.938804
"1242785"	469.144285	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Br"	78.918885
"1304866"	471.200272	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Cl+HCOOH"	80.974872
"1324921"	493.182229	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Cl+NaCOOH"	102.956829
"916707"	503.210986	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M-H+CF3COOH"	112.985586
"1293414"	539.187664	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Cl+CF3COOH"	148.962264
"1374857"	355.212724	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H-2H2O"	-35.012676
"1390169"	373.2227	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H-H2O"	-17.0027
"283416"	781.458076	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+H"	1.007276
"680091"	1171.683476	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+H"	1.007276
"1360814"	391.232676	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H"	1.007276
"132609"	391.232676	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+2H"	2.014552
"567801"	586.345376	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+2H"	2.014552
"1038421"	196.119976	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2H"	2.014552
"213254"	261.157542666667	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+3H"	3.021828
"649535"	391.232676	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+3H"	3.021828
"1172036"	131.082409333333	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+3H"	3.021828
"429839"	798.484623	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+NH4"	18.033823
"788646"	1188.710023	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+NH4"	18.033823
"1684974"	408.259223	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+NH4"	18.033823
"336537"	399.7459495	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+H+NH4"	19.041099
"728959"	594.8586495	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+H+NH4"	19.041099
"1483871"	204.6332495	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H+NH4"	19.041099
"400364"	803.440018	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+Na"	22.989218
"761359"	1193.665418	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+Na"	22.989218
"1608363"	413.214618	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Na"	22.989218
"318401"	402.223647	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+H+Na"	23.996494
"713012"	597.336347	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+H+Na"	23.996494
"1465736"	207.110947	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H+Na"	23.996494
"1056793"	138.409723333333	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2H+Na"	25.00377
"1265036"	423.258886	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+CH3OH+H"	33.033486
"385796"	819.413958	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+K"	38.963158
"743514"	1209.639358	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+K"	38.963158
"1545928"	429.188558	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+K"	38.963158
"309311"	410.210617	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+H+K"	39.970434
"697360"	605.323317	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+H+K"	39.970434
"1447900"	215.097917	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H+K"	39.970434
"239051"	822.484626	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+ACN+H"	42.033826
"1222706"	432.259226	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+ACN+H"	42.033826
"1208781"	216.633251	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+ACN+2H"	43.041102
"199824"	825.42196	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+2Na-H"	44.97116
"642304"	1215.64736	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+2Na-H"	44.97116
"1146176"	435.19656	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2Na-H"	44.97116
"187649"	413.214618	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+2Na"	45.978436
"627695"	608.327318	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+2Na"	45.978436
"1129619"	218.101918	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2Na"	45.978436
"1413020"	145.737037333333	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H+2Na"	46.985712
"1442705"	437.238146	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H+HCOOH"	47.012746
"229118"	418.24764	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+3H2O+2H"	56.04448
"1519734"	451.29019	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+IsoProp+H"	61.06479
"420514"	421.201588	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+Na+K"	61.952376
"782603"	616.314288	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+Na+K"	61.952376
"1676747"	226.088888	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Na+K"	61.952376
"262902"	844.466568	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+ACN+Na"	64.015768
"1235609"	454.241168	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+ACN+Na"	64.015768
"1719393"	454.264693	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+NH4+HCOOH"	64.039293
"1186934"	153.064351333333	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+3Na"	68.967654
"1652454"	459.220088	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Na+HCOOH"	68.994688
"163690"	857.36984	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+2K-H"	76.91904
"598874"	1247.59524	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+2K-H"	76.91904
"1086669"	467.14444	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2K-H"	76.91904
"154422"	429.188558	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"2M+2K"	77.926316
"590701"	624.301258	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"3M+2K"	77.926316
"1082506"	234.075858	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2K"	77.926316
"1114501"	469.158992	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2K+H"	78.933592
"1350646"	469.246607	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+DMSO+H"	79.021207
"1018688"	473.285776	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2ACN+H"	83.060376
"1532560"	474.279408	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+IsoProp+Na+H"	84.054008
"1001196"	237.146526	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+2ACN+2H"	84.067652
"1598977"	475.194028	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+K+HCOOH"	84.968628
"1428645"	505.225538	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+H+CF3COOH"	115.000138
"1156016"	257.659801	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+3ACN+2H"	125.094202
"1702286"	522.252085	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+NH4+CF3COOH"	132.026685
"1643409"	527.20748	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+Na+CF3COOH"	136.98208
"1585619"	543.18142	"C17451"	"Rehmaionoside B"	"C19H34O8"	"390.2254"	"M+K+CF3COOH"	152.95602
"811611"	388.2097	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M"	0
"978580"	369.19131	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-H2O-H"	-19.01839
"72291"	257.799190666667	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M-3H"	-3.021828
"509664"	387.202424	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M-3H"	-3.021828
"891839"	128.395957333333	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-3H"	-3.021828
"1666"	387.202424	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M-2H"	-2.014552
"449978"	581.307274	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M-2H"	-2.014552
"828874"	193.097574	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-2H"	-2.014552
"91782"	775.412124	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M-H"	-1.007276
"529519"	1163.621824	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M-H"	-1.007276
"907322"	387.202424	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-H"	-1.007276
"54046"	792.438671	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M-2H+NH4"	16.019271
"495792"	1180.648371	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M-2H+NH4"	16.019271
"872502"	404.228971	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-2H+NH4"	16.019271
"40404"	797.394066	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M-2H+Na"	20.974666
"479964"	1185.603766	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M-2H+Na"	20.974666
"861050"	409.184366	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-2H+Na"	20.974666
"1633260"	409.184366	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Na-2H"	20.974666
"109299"	405.190763	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M-H+Cl"	33.962126
"549471"	599.295613	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M-H+Cl"	33.962126
"936904"	211.085913	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-H+Cl"	33.962126
"273274"	811.388802	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+Cl"	34.969402
"665695"	1199.598502	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+Cl"	34.969402
"1280286"	423.179102	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Cl"	34.969402
"23940"	813.368006	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M-2H+K"	36.948606
"466783"	1201.577706	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M-2H+K"	36.948606
"839116"	425.158306	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-2H+K"	36.948606
"1562611"	425.158306	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+K-2H"	36.948606
"951590"	433.207894	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-H+HCOOH"	44.998194
"374179"	821.417601	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+HCOOH-H"	44.998201
"351138"	835.433251	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+Hac-H"	59.013851
"1494864"	447.223551	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Hac-H"	59.013851
"962042"	455.189851	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-H+NaCOOH"	66.980151
"115690"	423.179102	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+2Cl"	69.938804
"558531"	617.283952	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+2Cl"	69.938804
"1025507"	229.074252	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2Cl"	69.938804
"1242895"	467.128585	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Br"	78.918885
"1304855"	469.184572	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Cl+HCOOH"	80.974872
"1326124"	491.166529	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Cl+NaCOOH"	102.956829
"919003"	501.195286	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M-H+CF3COOH"	112.985586
"1293888"	537.171964	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Cl+CF3COOH"	148.962264
"1374967"	353.197024	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H-2H2O"	-35.012676
"1392467"	371.207	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H-H2O"	-17.0027
"286687"	777.426676	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+H"	1.007276
"677284"	1165.636376	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+H"	1.007276
"1357645"	389.216976	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H"	1.007276
"130533"	389.216976	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+2H"	2.014552
"568275"	583.321826	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+2H"	2.014552
"1041447"	195.112126	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2H"	2.014552
"212271"	259.813742666667	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+3H"	3.021828
"648551"	389.216976	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+3H"	3.021828
"1166679"	130.410509333333	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+3H"	3.021828
"427761"	794.453223	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+NH4"	18.033823
"789850"	1182.662923	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+NH4"	18.033823
"1682532"	406.243523	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+NH4"	18.033823
"336647"	397.7302495	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+H+NH4"	19.041099
"729069"	591.8350995	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+H+NH4"	19.041099
"1481793"	203.6253995	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H+NH4"	19.041099
"397193"	799.408618	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+Na"	22.989218
"759281"	1187.618318	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+Na"	22.989218
"1606285"	411.198918	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Na"	22.989218
"317776"	400.207947	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+H+Na"	23.996494
"714215"	594.312797	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+H+Na"	23.996494
"1463659"	206.103097	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H+Na"	23.996494
"1054107"	137.737823333333	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2H+Na"	25.00377
"1262958"	421.243186	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+CH3OH+H"	33.033486
"381531"	815.382558	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+K"	38.963158
"740707"	1203.592258	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+K"	38.963158
"1545672"	427.172858	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+K"	38.963158
"306142"	408.194917	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+H+K"	39.970434
"694190"	602.299767	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+H+K"	39.970434
"1448007"	214.090067	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H+K"	39.970434
"238065"	818.453226	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+ACN+H"	42.033826
"1211867"	430.243526	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+ACN+H"	42.033826
"1201957"	215.625401	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+ACN+2H"	43.041102
"199934"	821.39056	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+2Na-H"	44.97116
"642415"	1209.60026	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+2Na-H"	44.97116
"1146370"	433.18086	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2Na-H"	44.97116
"188319"	411.198918	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+2Na"	45.978436
"628461"	605.303768	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+2Na"	45.978436
"1130216"	217.094068	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2Na"	45.978436
"1409970"	145.065137333333	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H+2Na"	46.985712
"1438805"	435.222446	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H+HCOOH"	47.012746
"231781"	416.23194	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+3H2O+2H"	56.04448
"1520938"	449.27449	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+IsoProp+H"	61.06479
"417345"	419.185888	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+Na+K"	61.952376
"781620"	613.290738	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+Na+K"	61.952376
"1676856"	225.081038	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Na+K"	61.952376
"261188"	840.435168	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+ACN+Na"	64.015768
"1234625"	452.225468	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+ACN+Na"	64.015768
"1721325"	452.248993	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+NH4+HCOOH"	64.039293
"1187042"	152.392451333333	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+3Na"	68.967654
"1653656"	457.204388	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Na+HCOOH"	68.994688
"161614"	853.33844	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+2K-H"	76.91904
"605547"	1241.54814	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+2K-H"	76.91904
"1090059"	465.12874	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2K-H"	76.91904
"154532"	427.172858	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"2M+2K"	77.926316
"594092"	621.277708	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"3M+2K"	77.926316
"1079698"	233.068008	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2K"	77.926316
"1114002"	467.143292	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2K+H"	78.933592
"1350388"	467.230907	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+DMSO+H"	79.021207
"1020011"	471.270076	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2ACN+H"	83.060376
"1530483"	472.263708	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+IsoProp+Na+H"	84.054008
"1001304"	236.138676	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+2ACN+2H"	84.067652
"1600179"	473.178328	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+K+HCOOH"	84.968628
"1422558"	503.209838	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+H+CF3COOH"	115.000138
"1152844"	256.651951	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+3ACN+2H"	125.094202
"1704582"	520.236385	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+NH4+CF3COOH"	132.026685
"1644611"	525.19178	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+Na+CF3COOH"	136.98208
"1585729"	541.16572	"C17452"	"Rehmaionoside C"	"C19H32O8"	"388.2097"	"M+K+CF3COOH"	152.95602
"812814"	318.1103	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M"	0
"983065"	299.09191	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-H2O-H"	-19.01839
"66205"	211.066257333333	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M-3H"	-3.021828
"506858"	317.103024	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M-3H"	-3.021828
"889762"	105.029490666667	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-3H"	-3.021828
"2872"	317.103024	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M-2H"	-2.014552
"452275"	476.158174	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M-2H"	-2.014552
"825702"	158.047874	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-2H"	-2.014552
"92135"	635.213324	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M-H"	-1.007276
"529628"	953.323624	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M-H"	-1.007276
"908525"	317.103024	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-H"	-1.007276
"55251"	652.239871	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M-2H+NH4"	16.019271
"500885"	970.350171	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M-2H+NH4"	16.019271
"876865"	334.129571	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-2H+NH4"	16.019271
"40513"	657.195266	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M-2H+Na"	20.974666
"480074"	975.305566	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M-2H+Na"	20.974666
"857876"	339.084966	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-2H+Na"	20.974666
"1625221"	339.084966	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Na-2H"	20.974666
"105034"	335.091363	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M-H+Cl"	33.962126
"547875"	494.146513	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M-H+Cl"	33.962126
"932641"	176.036213	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-H+Cl"	33.962126
"267550"	671.190002	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+Cl"	34.969402
"663619"	989.300302	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+Cl"	34.969402
"1273835"	353.079702	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Cl"	34.969402
"20766"	673.169206	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M-2H+K"	36.948606
"463612"	991.279506	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M-2H+K"	36.948606
"841413"	355.058906	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-2H+K"	36.948606
"1566001"	355.058906	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+K-2H"	36.948606
"954979"	363.108494	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-H+HCOOH"	44.998194
"373196"	681.218801	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+HCOOH-H"	44.998201
"353800"	695.234451	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+Hac-H"	59.013851
"1494973"	377.124151	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Hac-H"	59.013851
"961423"	385.090451	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-H+NaCOOH"	66.980151
"114707"	353.079702	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+2Cl"	69.938804
"558641"	512.134852	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+2Cl"	69.938804
"1025617"	194.024552	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2Cl"	69.938804
"1244464"	397.029185	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Br"	78.918885
"1305452"	399.085172	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Cl+HCOOH"	80.974872
"1325870"	421.067129	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Cl+NaCOOH"	102.956829
"920208"	431.095886	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M-H+CF3COOH"	112.985586
"1293635"	467.072564	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Cl+CF3COOH"	148.962264
"1375077"	283.097624	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H-2H2O"	-35.012676
"1395497"	301.1076	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H-H2O"	-17.0027
"292265"	637.227876	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+H"	1.007276
"685780"	955.338176	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+H"	1.007276
"1357755"	319.117576	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H"	1.007276
"133923"	319.117576	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+2H"	2.014552
"576765"	478.172726	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+2H"	2.014552
"1042284"	160.062426	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2H"	2.014552
"215652"	213.080809333333	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+3H"	3.021828
"650839"	319.117576	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+3H"	3.021828
"1173340"	107.044042666667	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+3H"	3.021828
"426776"	654.254423	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+NH4"	18.033823
"789960"	972.364723	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+NH4"	18.033823
"1683736"	336.144123	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+NH4"	18.033823
"335663"	327.6308495	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+H+NH4"	19.041099
"732457"	486.6859995	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+H+NH4"	19.041099
"1484090"	168.5756995	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H+NH4"	19.041099
"397303"	659.209818	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+Na"	22.989218
"758299"	977.320118	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+Na"	22.989218
"1605303"	341.099518	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Na"	22.989218
"319711"	330.108547	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+H+Na"	23.996494
"711045"	489.163697	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+H+Na"	23.996494
"1463769"	171.053397	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H+Na"	23.996494
"1053854"	114.371356666667	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2H+Na"	25.00377
"1266346"	351.143786	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+CH3OH+H"	33.033486
"380549"	675.183758	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+K"	38.963158
"740453"	993.294058	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+K"	38.963158
"1543596"	357.073458	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+K"	38.963158
"309533"	338.095517	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+H+K"	39.970434
"693205"	497.150667	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+H+K"	39.970434
"1448119"	179.040367	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H+K"	39.970434
"237814"	678.254426	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+ACN+H"	42.033826
"1213070"	360.144126	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+ACN+H"	42.033826
"1204253"	180.575701	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+ACN+2H"	43.041102
"200773"	681.19176	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+2Na-H"	44.97116
"642159"	999.30206	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+2Na-H"	44.97116
"1145301"	363.08146	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2Na-H"	44.97116
"188499"	341.099518	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+2Na"	45.978436
"628044"	500.154668	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+2Na"	45.978436
"1130934"	182.044368	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2Na"	45.978436
"1410080"	121.698670666667	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H+2Na"	46.985712
"1438914"	365.123046	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H+HCOOH"	47.012746
"233349"	346.13254	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+3H2O+2H"	56.04448
"1522141"	379.17509	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+IsoProp+H"	61.06479
"416361"	349.086488	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+Na+K"	61.952376
"781731"	508.141638	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+Na+K"	61.952376
"1676967"	190.031338	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Na+K"	61.952376
"262027"	700.236368	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+ACN+Na"	64.015768
"1236558"	382.126068	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+ACN+Na"	64.015768
"1721435"	382.149593	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+NH4+HCOOH"	64.039293
"1187152"	129.025984666667	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+3Na"	68.967654
"1654859"	387.104988	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Na+HCOOH"	68.994688
"165004"	713.13964	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+2K-H"	76.91904
"605657"	1031.24994	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+2K-H"	76.91904
"1093450"	395.02934	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2K-H"	76.91904
"155615"	357.073458	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"2M+2K"	77.926316
"594202"	516.128608	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"3M+2K"	77.926316
"1081995"	198.018308	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2K"	77.926316
"1114111"	397.043892	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2K+H"	78.933592
"1349404"	397.131507	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+DMSO+H"	79.021207
"1019028"	401.170676	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2ACN+H"	83.060376
"1539668"	402.164308	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+IsoProp+Na+H"	84.054008
"1000321"	201.088976	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+2ACN+2H"	84.067652
"1598103"	403.078928	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+K+HCOOH"	84.968628
"1426679"	433.110438	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+H+CF3COOH"	115.000138
"1156236"	221.602251	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+3ACN+2H"	125.094202
"1703599"	450.136985	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+NH4+CF3COOH"	132.026685
"1644721"	455.09238	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+Na+CF3COOH"	136.98208
"1575998"	471.06632	"C17453"	"Paeoniflorigenone"	"C17H18O6"	"318.1103"	"M+K+CF3COOH"	152.95602
"811831"	198.0892	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M"	0
"977707"	179.07081	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-H2O-H"	-19.01839
"66315"	131.052190666667	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M-3H"	-3.021828
"506968"	197.081924	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M-3H"	-3.021828
"887685"	65.0224573333333	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-3H"	-3.021828
"2616"	197.081924	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M-2H"	-2.014552
"451293"	296.126524	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M-2H"	-2.014552
"823626"	98.037324	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-2H"	-2.014552
"92250"	395.171124	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M-H"	-1.007276
"528645"	593.260324	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M-H"	-1.007276
"909853"	197.081924	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-H"	-1.007276
"53175"	412.197671	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M-2H+NH4"	16.019271
"494920"	610.286871	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M-2H+NH4"	16.019271
"876732"	214.108471	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-2H+NH4"	16.019271
"38436"	417.153066	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M-2H+Na"	20.974666
"476903"	615.242266	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M-2H+Na"	20.974666
"855799"	219.063866	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-2H+Na"	20.974666
"1623145"	219.063866	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Na-2H"	20.974666
"100771"	215.070263	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M-H+Cl"	33.962126
"547500"	314.114863	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M-H+Cl"	33.962126
"931658"	116.025663	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-H+Cl"	33.962126
"267457"	431.147802	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+Cl"	34.969402
"663730"	629.237002	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+Cl"	34.969402
"1280508"	233.058602	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Cl"	34.969402
"26345"	433.127006	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M-2H+K"	36.948606
"463720"	631.216206	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M-2H+K"	36.948606
"839333"	235.037806	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-2H+K"	36.948606
"1566113"	235.037806	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+K-2H"	36.948606
"951809"	243.087394	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-H+HCOOH"	44.998194
"366745"	441.176601	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+HCOOH-H"	44.998201
"351722"	455.192251	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+Hac-H"	59.013851
"1499460"	257.103051	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Hac-H"	59.013851
"968094"	265.069351	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-H+NaCOOH"	66.980151
"118094"	233.058602	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+2Cl"	69.938804
"553281"	332.103202	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+2Cl"	69.938804
"1029734"	134.014002	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2Cl"	69.938804
"1250405"	277.008085	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Br"	78.918885
"1311758"	279.064072	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Cl+HCOOH"	80.974872
"1328167"	301.046029	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Cl+NaCOOH"	102.956829
"920318"	311.074786	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M-H+CF3COOH"	112.985586
"1292652"	347.051464	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Cl+CF3COOH"	148.962264
"1375187"	163.076524	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H-2H2O"	-35.012676
"1397307"	181.0865	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H-H2O"	-17.0027
"293467"	397.185676	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+H"	1.007276
"684796"	595.274876	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+H"	1.007276
"1361145"	199.096476	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H"	1.007276
"130753"	199.096476	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+2H"	2.014552
"576874"	298.141076	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+2H"	2.014552
"1045674"	100.051876	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2H"	2.014552
"213940"	133.066742666667	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+3H"	3.021828
"650949"	199.096476	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+3H"	3.021828
"1173450"	67.0370093333333	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+3H"	3.021828
"430166"	414.212223	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+NH4"	18.033823
"787883"	612.301423	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+NH4"	18.033823
"1684213"	216.123023	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+NH4"	18.033823
"334675"	207.6097495	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+H+NH4"	19.041099
"729288"	306.6543495	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+H+NH4"	19.041099
"1483107"	108.5651495	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H+NH4"	19.041099
"397413"	419.167618	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+Na"	22.989218
"757317"	617.256818	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+Na"	22.989218
"1608694"	221.078418	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Na"	22.989218
"316544"	210.087447	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+H+Na"	23.996494
"710062"	309.132047	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+H+Na"	23.996494
"1464243"	111.042847	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H+Na"	23.996494
"1058218"	74.3643233333333	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2H+Na"	25.00377
"1266456"	231.122686	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+CH3OH+H"	33.033486
"383939"	435.141558	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+K"	38.963158
"739592"	633.230758	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+K"	38.963158
"1543706"	237.052358	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+K"	38.963158
"299802"	218.074417	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+H+K"	39.970434
"692582"	317.119017	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+H+K"	39.970434
"1450415"	119.029817	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H+K"	39.970434
"240108"	438.212226	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+ACN+H"	42.033826
"1211725"	240.123026	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+ACN+H"	42.033826
"1196702"	120.565151	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+ACN+2H"	43.041102
"188615"	441.14956	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+2Na-H"	44.97116
"638620"	639.23876	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+2Na-H"	44.97116
"1144314"	243.06036	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2Na-H"	44.97116
"188486"	221.078418	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+2Na"	45.978436
"628438"	320.123018	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+2Na"	45.978436
"1130314"	122.033818	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2Na"	45.978436
"1410190"	81.6916373333333	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H+2Na"	46.985712
"1439024"	245.101946	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H+HCOOH"	47.012746
"232365"	226.11144	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+3H2O+2H"	56.04448
"1518971"	259.15399	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+IsoProp+H"	61.06479
"413191"	229.065388	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+Na+K"	61.952376
"778561"	328.109988	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+Na+K"	61.952376
"1673797"	130.020788	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Na+K"	61.952376
"259221"	460.194168	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+ACN+Na"	64.015768
"1235209"	262.104968	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+ACN+Na"	64.015768
"1720816"	262.128493	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+NH4+HCOOH"	64.039293
"1187262"	89.0189513333333	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+3Na"	68.967654
"1652782"	267.083888	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Na+HCOOH"	68.994688
"162927"	473.09744	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+2K-H"	76.91904
"603580"	671.18664	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+2K-H"	76.91904
"1092466"	275.00824	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2K-H"	76.91904
"148189"	237.052358	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"2M+2K"	77.926316
"587750"	336.096958	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"3M+2K"	77.926316
"1078824"	138.007758	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2K"	77.926316
"1112763"	277.022792	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2K+H"	78.933592
"1348421"	277.110407	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+DMSO+H"	79.021207
"1019138"	281.149576	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2ACN+H"	83.060376
"1538357"	282.143208	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+IsoProp+Na+H"	84.054008
"1000432"	141.078426	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+2ACN+2H"	84.067652
"1598214"	283.057828	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+K+HCOOH"	84.968628
"1426060"	313.089338	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+H+CF3COOH"	115.000138
"1156346"	161.591701	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+3ACN+2H"	125.094202
"1700430"	330.115885	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+NH4+CF3COOH"	132.026685
"1641551"	335.07128	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+Na+CF3COOH"	136.98208
"1576108"	351.04522	"C17454"	"Paeonilactone A"	"C10H14O4"	"198.0892"	"M+K+CF3COOH"	152.95602
"813034"	196.0736	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M"	0
"977818"	177.05521	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-H2O-H"	-19.01839
"66061"	129.708457333333	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M-3H"	-3.021828
"509994"	195.066324	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M-3H"	-3.021828
"887795"	64.3505906666667	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-3H"	-3.021828
"3455"	195.066324	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M-2H"	-2.014552
"452496"	293.103124	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M-2H"	-2.014552
"824829"	97.029524	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-2H"	-2.014552
"93330"	391.139924	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M-H"	-1.007276
"529848"	587.213524	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M-H"	-1.007276
"910570"	195.066324	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-H"	-1.007276
"53285"	408.166471	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M-2H+NH4"	16.019271
"496124"	604.240071	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M-2H+NH4"	16.019271
"873926"	212.092871	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-2H+NH4"	16.019271
"39639"	413.121866	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M-2H+Na"	20.974666
"477013"	609.195466	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M-2H+Na"	20.974666
"857002"	217.048266	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-2H+Na"	20.974666
"1624348"	217.048266	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Na-2H"	20.974666
"98689"	213.054663	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M-H+Cl"	33.962126
"547002"	311.091463	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M-H+Cl"	33.962126
"931768"	115.017863	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-H+Cl"	33.962126
"268736"	427.116602	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+Cl"	34.969402
"667120"	623.190202	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+Cl"	34.969402
"1282804"	231.043002	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Cl"	34.969402
"26455"	429.095806	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M-2H+K"	36.948606
"463830"	625.169406	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M-2H+K"	36.948606
"839443"	233.022206	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-2H+K"	36.948606
"1566222"	233.022206	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+K-2H"	36.948606
"953012"	241.071794	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-H+HCOOH"	44.998194
"372323"	437.145401	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+HCOOH-H"	44.998201
"356207"	451.161051	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+Hac-H"	59.013851
"1499934"	255.087451	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Hac-H"	59.013851
"968204"	263.053751	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-H+NaCOOH"	66.980151
"118204"	231.043002	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+2Cl"	69.938804
"558857"	329.079802	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+2Cl"	69.938804
"1027656"	133.006202	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2Cl"	69.938804
"1245775"	274.992485	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Br"	78.918885
"1308952"	277.048472	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Cl+HCOOH"	80.974872
"1322801"	299.030429	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Cl+NaCOOH"	102.956829
"915318"	309.059186	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M-H+CF3COOH"	112.985586
"1292033"	345.035864	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Cl+CF3COOH"	148.962264
"1372017"	161.060924	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H-2H2O"	-35.012676
"1396810"	179.0709	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H-H2O"	-17.0027
"296860"	393.154476	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+H"	1.007276
"690010"	589.228076	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+H"	1.007276
"1363808"	197.080876	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H"	1.007276
"137791"	197.080876	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+2H"	2.014552
"575526"	295.117676	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+2H"	2.014552
"1045784"	99.044076	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2H"	2.014552
"214780"	131.723009333333	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+3H"	3.021828
"648874"	197.080876	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+3H"	3.021828
"1176478"	66.3651426666667	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+3H"	3.021828
"430278"	410.181023	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+NH4"	18.033823
"787383"	606.254623	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+NH4"	18.033823
"1683230"	214.107423	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+NH4"	18.033823
"333693"	205.5941495	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+H+NH4"	19.041099
"726115"	303.6309495	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+H+NH4"	19.041099
"1479937"	107.5573495	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H+NH4"	19.041099
"398618"	415.136418	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+Na"	22.989218
"759613"	611.210018	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+Na"	22.989218
"1608804"	219.062818	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Na"	22.989218
"316653"	208.071847	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+H+Na"	23.996494
"712358"	306.108647	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+H+Na"	23.996494
"1467269"	110.035047	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H+Na"	23.996494
"1057235"	73.6924566666667	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2H+Na"	25.00377
"1269847"	229.107086	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+CH3OH+H"	33.033486
"384049"	431.110358	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+K"	38.963158
"748328"	627.183958	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+K"	38.963158
"1541634"	235.036758	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+K"	38.963158
"306473"	216.058817	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+H+K"	39.970434
"694520"	314.095617	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+H+K"	39.970434
"1448706"	118.022017	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H+K"	39.970434
"236942"	434.181026	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+ACN+H"	42.033826
"1210740"	238.107426	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+ACN+H"	42.033826
"1194624"	119.557351	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+ACN+2H"	43.041102
"195157"	437.11836	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+2Na-H"	44.97116
"642013"	633.19196	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+2Na-H"	44.97116
"1145152"	241.04476	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2Na-H"	44.97116
"188356"	219.062818	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+2Na"	45.978436
"628143"	317.099618	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+2Na"	45.978436
"1131038"	121.026018	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2Na"	45.978436
"1411761"	81.0197706666667	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H+2Na"	46.985712
"1442053"	243.086346	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H+HCOOH"	47.012746
"232841"	224.09584	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+3H2O+2H"	56.04448
"1517989"	257.13839	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+IsoProp+H"	61.06479
"416581"	227.049788	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+Na+K"	61.952376
"777577"	325.086588	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+Na+K"	61.952376
"1677187"	129.012988	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Na+K"	61.952376
"259331"	456.162968	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+ACN+Na"	64.015768
"1238236"	260.089368	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+ACN+Na"	64.015768
"1722019"	260.112893	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+NH4+HCOOH"	64.039293
"1186278"	88.3470846666667	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+3Na"	68.967654
"1655081"	265.068288	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Na+HCOOH"	68.994688
"166317"	469.06624	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+2K-H"	76.91904
"603690"	665.13984	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+2K-H"	76.91904
"1096952"	272.99264	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2K-H"	76.91904
"151581"	235.036758	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"2M+2K"	77.926316
"591141"	333.073558	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"3M+2K"	77.926316
"1075654"	136.999958	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2K"	77.926316
"1114330"	275.007192	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2K+H"	78.933592
"1350594"	275.094807	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+DMSO+H"	79.021207
"1019249"	279.133976	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2ACN+H"	83.060376
"1536278"	280.127608	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+IsoProp+Na+H"	84.054008
"1001634"	140.070626	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+2ACN+2H"	84.067652
"1597230"	281.042228	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+K+HCOOH"	84.968628
"1423986"	311.073738	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+H+CF3COOH"	115.000138
"1158644"	160.583901	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+3ACN+2H"	125.094202
"1707101"	328.100285	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+NH4+CF3COOH"	132.026685
"1641661"	333.05568	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+Na+CF3COOH"	136.98208
"1576218"	349.02962	"C17455"	"Paeonilactone B"	"C10H12O4"	"196.0736"	"M+K+CF3COOH"	152.95602
"813144"	318.1103	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M"	0
"979021"	299.09191	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-H2O-H"	-19.01839
"65441"	211.066257333333	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M-3H"	-3.021828
"510104"	317.103024	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M-3H"	-3.021828
"891185"	105.029490666667	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-3H"	-3.021828
"3201"	317.103024	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M-2H"	-2.014552
"448230"	476.158174	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M-2H"	-2.014552
"828221"	158.047874	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-2H"	-2.014552
"90400"	635.213324	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M-H"	-1.007276
"527771"	953.323624	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M-H"	-1.007276
"904481"	317.103024	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-H"	-1.007276
"54488"	652.239871	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M-2H+NH4"	16.019271
"498420"	970.350171	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M-2H+NH4"	16.019271
"875129"	334.129571	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-2H+NH4"	16.019271
"40842"	657.195266	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M-2H+Na"	20.974666
"478216"	975.305566	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M-2H+Na"	20.974666
"856019"	339.084966	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-2H+Na"	20.974666
"1624458"	339.084966	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Na-2H"	20.974666
"100987"	335.091363	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M-H+Cl"	33.962126
"547113"	494.146513	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M-H+Cl"	33.962126
"932971"	176.036213	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-H+Cl"	33.962126
"271162"	671.190002	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+Cl"	34.969402
"667230"	989.300302	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+Cl"	34.969402
"1284007"	353.079702	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Cl"	34.969402
"27659"	673.169206	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M-2H+K"	36.948606
"462848"	991.279506	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M-2H+K"	36.948606
"839554"	355.058906	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-2H+K"	36.948606
"1560125"	355.058906	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+K-2H"	36.948606
"955674"	363.108494	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-H+HCOOH"	44.998194
"371341"	681.218801	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+HCOOH-H"	44.998201
"356682"	695.234451	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+Hac-H"	59.013851
"1504054"	377.124151	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Hac-H"	59.013851
"966128"	385.090451	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-H+NaCOOH"	66.980151
"120502"	353.079702	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+2Cl"	69.938804
"558967"	512.134852	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+2Cl"	69.938804
"1031046"	194.024552	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2Cl"	69.938804
"1250624"	397.029185	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Br"	78.918885
"1309426"	399.085172	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Cl+HCOOH"	80.974872
"1322911"	421.067129	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Cl+NaCOOH"	102.956829
"915064"	431.095886	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M-H+CF3COOH"	112.985586
"1293598"	467.072564	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Cl+CF3COOH"	148.962264
"1373219"	283.097624	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H-2H2O"	-35.012676
"1395826"	301.1076	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H-H2O"	-17.0027
"296241"	637.227876	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+H"	1.007276
"684652"	955.338176	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+H"	1.007276
"1363188"	319.117576	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H"	1.007276
"133160"	319.117576	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+2H"	2.014552
"573814"	478.172726	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+2H"	2.014552
"1041883"	160.062426	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2H"	2.014552
"211607"	213.080809333333	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+3H"	3.021828
"650077"	319.117576	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+3H"	3.021828
"1171484"	107.044042666667	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+3H"	3.021828
"433668"	654.254423	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+NH4"	18.033823
"789197"	972.364723	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+NH4"	18.033823
"1682490"	336.144123	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+NH4"	18.033823
"337082"	327.6308495	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+H+NH4"	19.041099
"728411"	486.6859995	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+H+NH4"	19.041099
"1485511"	168.5756995	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H+NH4"	19.041099
"398728"	659.209818	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+Na"	22.989218
"759723"	977.320118	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+Na"	22.989218
"1608914"	341.099518	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Na"	22.989218
"317857"	330.108547	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+H+Na"	23.996494
"714654"	489.163697	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+H+Na"	23.996494
"1467379"	171.053397	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H+Na"	23.996494
"1059531"	114.371356666667	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2H+Na"	25.00377
"1271538"	351.143786	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+CH3OH+H"	33.033486
"383067"	675.183758	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+K"	38.963158
"748438"	993.294058	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+K"	38.963158
"1543930"	357.073458	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+K"	38.963158
"308769"	338.095517	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+H+K"	39.970434
"694630"	497.150667	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+H+K"	39.970434
"1449546"	179.040367	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H+K"	39.970434
"238512"	678.254426	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+ACN+H"	42.033826
"1210368"	360.144126	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+ACN+H"	42.033826
"1196924"	180.575701	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+ACN+2H"	43.041102
"191988"	681.19176	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+2Na-H"	44.97116
"640666"	999.30206	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+2Na-H"	44.97116
"1143439"	363.08146	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2Na-H"	44.97116
"188084"	341.099518	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+2Na"	45.978436
"628129"	500.154668	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+2Na"	45.978436
"1130542"	182.044368	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2Na"	45.978436
"1412478"	121.698670666667	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H+2Na"	46.985712
"1442163"	365.123046	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H+HCOOH"	47.012746
"233680"	346.13254	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+3H2O+2H"	56.04448
"1519922"	379.17509	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+IsoProp+H"	61.06479
"419972"	349.086488	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+Na+K"	61.952376
"779873"	508.141638	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+Na+K"	61.952376
"1675110"	190.031338	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Na+K"	61.952376
"259441"	700.236368	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+ACN+Na"	64.015768
"1236159"	382.126068	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+ACN+Na"	64.015768
"1721035"	382.149593	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+NH4+HCOOH"	64.039293
"1186388"	129.025984666667	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+3Na"	68.967654
"1656284"	387.104988	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Na+HCOOH"	68.994688
"168614"	713.13964	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+2K-H"	76.91904
"602707"	1031.24994	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+2K-H"	76.91904
"1097062"	395.02934	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2K-H"	76.91904
"151691"	357.073458	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"2M+2K"	77.926316
"591251"	516.128608	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"3M+2K"	77.926316
"1075764"	198.018308	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2K"	77.926316
"1111160"	397.043892	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2K+H"	78.933592
"1344264"	397.131507	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+DMSO+H"	79.021207
"1018630"	401.170676	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2ACN+H"	83.060376
"1536388"	402.164308	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+IsoProp+Na+H"	84.054008
"1002837"	201.088976	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+2ACN+2H"	84.067652
"1597340"	403.078928	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+K+HCOOH"	84.968628
"1425917"	433.110438	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+H+CF3COOH"	115.000138
"1159847"	221.602251	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+3ACN+2H"	125.094202
"1707211"	450.136985	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+NH4+CF3COOH"	132.026685
"1645051"	455.09238	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+Na+CF3COOH"	136.98208
"1576328"	471.06632	"C17456"	"Paeonilactone C"	"C17H18O6"	"318.1103"	"M+K+CF3COOH"	152.95602
"813254"	480.1632	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M"	0
"981318"	461.14481	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-H2O-H"	-19.01839
"65186"	319.101524	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M-3H"	-3.021828
"510214"	479.155924	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M-3H"	-3.021828
"893482"	159.047124	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-3H"	-3.021828
"4404"	479.155924	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M-2H"	-2.014552
"442143"	719.237524	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M-2H"	-2.014552
"827237"	239.074324	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-2H"	-2.014552
"85042"	959.319124	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M-H"	-1.007276
"525693"	1439.482324	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M-H"	-1.007276
"903497"	479.155924	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-H"	-1.007276
"60063"	976.345671	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M-2H+NH4"	16.019271
"501447"	1456.508871	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M-2H+NH4"	16.019271
"876329"	496.182471	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-2H+NH4"	16.019271
"43867"	981.301066	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M-2H+Na"	20.974666
"481605"	1461.464266	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M-2H+Na"	20.974666
"858315"	501.137866	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-2H+Na"	20.974666
"1626754"	501.137866	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Na-2H"	20.974666
"101097"	497.144263	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M-H+Cl"	33.962126
"549697"	737.225863	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M-H+Cl"	33.962126
"936361"	257.062663	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-H+Cl"	33.962126
"270908"	995.295802	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+Cl"	34.969402
"665153"	1475.459002	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+Cl"	34.969402
"1284117"	515.132602	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Cl"	34.969402
"23394"	997.275006	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M-2H+K"	36.948606
"464051"	1477.438206	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M-2H+K"	36.948606
"839664"	517.111806	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-2H+K"	36.948606
"1560235"	517.111806	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+K-2H"	36.948606
"954325"	525.161394	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-H+HCOOH"	44.998194
"375094"	1005.324601	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+HCOOH-H"	44.998201
"357158"	1019.340251	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+Hac-H"	59.013851
"1505986"	539.177051	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Hac-H"	59.013851
"968425"	547.143351	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-H+NaCOOH"	66.980151
"121705"	515.132602	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+2Cl"	69.938804
"559077"	755.214202	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+2Cl"	69.938804
"1029333"	275.051002	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2Cl"	69.938804
"1248911"	559.082085	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Br"	78.918885
"1308078"	561.138072	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Cl+HCOOH"	80.974872
"1321199"	583.120029	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Cl+NaCOOH"	102.956829
"915539"	593.148786	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M-H+CF3COOH"	112.985586
"1292615"	629.125464	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Cl+CF3COOH"	148.962264
"1371142"	445.150524	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H-2H2O"	-35.012676
"1398047"	463.1605	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H-H2O"	-17.0027
"297080"	961.333676	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+H"	1.007276
"684762"	1441.496876	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+H"	1.007276
"1364029"	481.170476	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H"	1.007276
"135822"	481.170476	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+2H"	2.014552
"575382"	721.252076	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+2H"	2.014552
"1043815"	241.088876	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2H"	2.014552
"211717"	321.116076	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+3H"	3.021828
"650187"	481.170476	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+3H"	3.021828
"1171594"	161.061676	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+3H"	3.021828
"434872"	978.360223	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+NH4"	18.033823
"799879"	1458.523423	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+NH4"	18.033823
"1684543"	498.197023	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+NH4"	18.033823
"337192"	489.6837495	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+H+NH4"	19.041099
"729614"	729.7653495	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+H+NH4"	19.041099
"1485622"	249.6021495	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H+NH4"	19.041099
"398838"	983.315618	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+Na"	22.989218
"757645"	1463.478818	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+Na"	22.989218
"1609024"	503.152418	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Na"	22.989218
"320154"	492.161447	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+H+Na"	23.996494
"713670"	732.243047	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+H+Na"	23.996494
"1466397"	252.079847	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H+Na"	23.996494
"1059642"	168.38899	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2H+Na"	25.00377
"1270066"	513.196686	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+CH3OH+H"	33.033486
"387549"	999.289558	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+K"	38.963158
"749642"	1479.452758	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+K"	38.963158
"1545497"	519.126358	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+K"	38.963158
"312160"	500.148417	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+H+K"	39.970434
"696927"	740.230017	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+H+K"	39.970434
"1451843"	260.066817	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H+K"	39.970434
"239351"	1002.360226	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+ACN+H"	42.033826
"1212058"	522.197026	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+ACN+H"	42.033826
"1200314"	261.602151	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+ACN+2H"	43.041102
"192098"	1005.29756	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+2Na-H"	44.97116
"637127"	1485.46076	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+2Na-H"	44.97116
"1143549"	525.13436	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2Na-H"	44.97116
"187948"	503.152418	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+2Na"	45.978436
"627384"	743.234018	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+2Na"	45.978436
"1130523"	263.070818	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2Na"	45.978436
"1413563"	175.716304	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H+2Na"	46.985712
"1442273"	527.175946	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H+HCOOH"	47.012746
"231968"	508.18544	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+3H2O+2H"	56.04448
"1520396"	541.22799	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+IsoProp+H"	61.06479
"420810"	511.139388	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+Na+K"	61.952376
"776704"	751.220988	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+Na+K"	61.952376
"1674128"	271.057788	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Na+K"	61.952376
"259551"	1024.342168	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+ACN+Na"	64.015768
"1236270"	544.178968	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+ACN+Na"	64.015768
"1721146"	544.202493	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+NH4+HCOOH"	64.039293
"1184312"	183.043618	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+3Na"	68.967654
"1655301"	549.157888	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Na+HCOOH"	68.994688
"163256"	1037.24544	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+2K-H"	76.91904
"602817"	1517.40864	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+2K-H"	76.91904
"1097903"	557.08224	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2K-H"	76.91904
"155081"	519.126358	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"2M+2K"	77.926316
"594641"	759.207958	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"3M+2K"	77.926316
"1079154"	279.044758	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2K"	77.926316
"1113946"	559.096792	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2K+H"	78.933592
"1347654"	559.184407	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+DMSO+H"	79.021207
"1018374"	563.223576	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2ACN+H"	83.060376
"1538685"	564.217208	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+IsoProp+Na+H"	84.054008
"1003681"	282.115426	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+2ACN+2H"	84.067652
"1600733"	565.131828	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+K+HCOOH"	84.968628
"1427485"	595.163338	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+H+CF3COOH"	115.000138
"1159957"	302.628701	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+3ACN+2H"	125.094202
"1707321"	612.189885	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+NH4+CF3COOH"	132.026685
"1645161"	617.14528	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+Na+CF3COOH"	136.98208
"1576438"	633.11922	"C17457"	"Albiflorin"	"C23H28O11"	"480.1632"	"M+K+CF3COOH"	152.95602
"812271"	636.0963	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M"	0
"981428"	617.07791	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-H2O-H"	-19.01839
"63352"	423.056924	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M-3H"	-3.021828
"509231"	635.089024	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M-3H"	-3.021828
"892499"	211.024824	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-3H"	-3.021828
"3421"	635.089024	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M-2H"	-2.014552
"441889"	953.137174	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M-2H"	-2.014552
"827347"	317.040874	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-2H"	-2.014552
"87338"	1271.185324	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M-H"	-1.007276
"525803"	1907.281624	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M-H"	-1.007276
"899233"	635.089024	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-H"	-1.007276
"57986"	1288.211871	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M-2H+NH4"	16.019271
"498639"	1924.308171	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M-2H+NH4"	16.019271
"874253"	652.115571	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-2H+NH4"	16.019271
"41061"	1293.167266	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M-2H+Na"	20.974666
"481715"	1929.263566	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M-2H+Na"	20.974666
"858424"	657.070966	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-2H+Na"	20.974666
"1625771"	657.070966	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Na-2H"	20.974666
"100114"	653.077363	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M-H+Cl"	33.962126
"548426"	971.125513	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M-H+Cl"	33.962126
"932098"	335.029213	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-H+Cl"	33.962126
"270654"	1307.162002	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+Cl"	34.969402
"664170"	1943.258302	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+Cl"	34.969402
"1277667"	671.065702	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Cl"	34.969402
"24597"	1309.141206	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M-2H+K"	36.948606
"464161"	1945.237506	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M-2H+K"	36.948606
"839774"	673.044906	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-2H+K"	36.948606
"1558522"	673.044906	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+K-2H"	36.948606
"954435"	681.094494	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-H+HCOOH"	44.998194
"374839"	1317.190801	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+HCOOH-H"	44.998201
"355444"	1331.206451	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+Hac-H"	59.013851
"1504274"	695.110151	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Hac-H"	59.013851
"966348"	703.076451	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-H+NaCOOH"	66.980151
"118535"	671.065702	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+2Cl"	69.938804
"559187"	989.113852	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+2Cl"	69.938804
"1029079"	353.017552	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2Cl"	69.938804
"1249751"	715.015185	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Br"	78.918885
"1312198"	717.071172	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Cl+HCOOH"	80.974872
"1321309"	739.053129	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Cl+NaCOOH"	102.956829
"917836"	749.081886	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M-H+CF3COOH"	112.985586
"1292725"	785.058564	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Cl+CF3COOH"	148.962264
"1371252"	601.083624	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H-2H2O"	-35.012676
"1398235"	619.0936	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H-H2O"	-17.0027
"294274"	1273.199876	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+H"	1.007276
"684872"	1909.296176	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+H"	1.007276
"1364137"	637.103576	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H"	1.007276
"135568"	637.103576	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+2H"	2.014552
"574033"	955.151726	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+2H"	2.014552
"1043925"	319.055426	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2H"	2.014552
"211827"	425.071476	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+3H"	3.021828
"650297"	637.103576	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+3H"	3.021828
"1171340"	213.039376	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+3H"	3.021828
"436076"	1290.226423	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+NH4"	18.033823
"799989"	1926.322723	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+NH4"	18.033823
"1687932"	654.130123	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+NH4"	18.033823
"337303"	645.6168495	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+H+NH4"	19.041099
"730817"	963.6649995	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+H+NH4"	19.041099
"1485732"	327.5686995	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H+NH4"	19.041099
"396761"	1295.181818	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+Na"	22.989218
"757755"	1931.278118	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+Na"	22.989218
"1609134"	659.085518	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Na"	22.989218
"319170"	648.094547	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+H+Na"	23.996494
"708798"	966.142697	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+H+Na"	23.996494
"1465413"	330.046397	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H+Na"	23.996494
"1058659"	220.36669	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2H+Na"	25.00377
"1267989"	669.129786	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+CH3OH+H"	33.033486
"386566"	1311.155758	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+K"	38.963158
"745373"	1947.252058	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+K"	38.963158
"1546336"	675.059458	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+K"	38.963158
"311178"	656.081517	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+H+K"	39.970434
"697037"	974.129667	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+H+K"	39.970434
"1451953"	338.033367	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H+K"	39.970434
"239461"	1314.226426	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+ACN+H"	42.033826
"1215447"	678.130126	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+ACN+H"	42.033826
"1201517"	339.568701	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+ACN+2H"	43.041102
"193301"	1317.16376	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+2Na-H"	44.97116
"638331"	1953.26006	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+2Na-H"	44.97116
"1142931"	681.06746	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2Na-H"	44.97116
"184036"	659.085518	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+2Na"	45.978436
"627611"	977.133668	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+2Na"	45.978436
"1128565"	341.037368	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2Na"	45.978436
"1407350"	227.694004	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H+2Na"	46.985712
"1438372"	683.109046	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H+HCOOH"	47.012746
"229891"	664.11854	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+3H2O+2H"	56.04448
"1520141"	697.16109	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+IsoProp+H"	61.06479
"418734"	667.072488	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+Na+K"	61.952376
"779002"	985.120638	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+Na+K"	61.952376
"1677518"	349.024338	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Na+K"	61.952376
"262942"	1336.208368	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+ACN+Na"	64.015768
"1232371"	700.112068	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+ACN+Na"	64.015768
"1719069"	700.135593	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+NH4+HCOOH"	64.039293
"1186608"	235.021318	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+3Na"	68.967654
"1657597"	705.090988	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Na+HCOOH"	68.994688
"163366"	1349.11164	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+2K-H"	76.91904
"606207"	1985.20794	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+2K-H"	76.91904
"1098375"	713.01534	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2K-H"	76.91904
"155191"	675.059458	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"2M+2K"	77.926316
"596495"	993.107608	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"3M+2K"	77.926316
"1079262"	357.011308	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2K"	77.926316
"1105909"	715.029892	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2K+H"	78.933592
"1347764"	715.117507	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+DMSO+H"	79.021207
"1020426"	719.156676	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2ACN+H"	83.060376
"1538675"	720.150308	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+IsoProp+Na+H"	84.054008
"1003427"	360.081976	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+2ACN+2H"	84.067652
"1601208"	721.064928	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+K+HCOOH"	84.968628
"1428326"	751.096438	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+H+CF3COOH"	115.000138
"1160067"	380.595251	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+3ACN+2H"	125.094202
"1707431"	768.122985	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+NH4+CF3COOH"	132.026685
"1645271"	773.07838	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+Na+CF3COOH"	136.98208
"1576548"	789.05232	"C17458"	"Gallotannin;136-Tri-o-galloyl-beta-D-glucose"	"C27H24O18"	"636.0963"	"M+K+CF3COOH"	152.95602
"812381"	490.3658	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M"	0
"983725"	471.34741	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-H2O-H"	-19.01839
"64313"	325.903257333333	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M-3H"	-3.021828
"512622"	489.358524	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M-3H"	-3.021828
"894317"	162.447990666667	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-3H"	-3.021828
"4624"	489.358524	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M-2H"	-2.014552
"447467"	734.541424	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M-2H"	-2.014552
"828551"	244.175624	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-2H"	-2.014552
"89636"	979.724324	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M-H"	-1.007276
"524821"	1470.090124	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M-H"	-1.007276
"903717"	489.358524	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-H"	-1.007276
"59191"	996.750871	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M-2H+NH4"	16.019271
"498750"	1487.116671	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M-2H+NH4"	16.019271
"873270"	506.385071	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-2H+NH4"	16.019271
"37891"	1001.706266	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M-2H+Na"	20.974666
"475262"	1492.072066	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M-2H+Na"	20.974666
"859631"	511.340466	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-2H+Na"	20.974666
"1625881"	511.340466	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Na-2H"	20.974666
"99131"	507.346863	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M-H+Cl"	33.962126
"548535"	752.529763	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M-H+Cl"	33.962126
"935488"	262.163963	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-H+Cl"	33.962126
"277324"	1015.701002	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+Cl"	34.969402
"666467"	1506.066802	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+Cl"	34.969402
"1281057"	525.335202	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Cl"	34.969402
"22520"	1017.680206	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M-2H+K"	36.948606
"469740"	1508.046006	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M-2H+K"	36.948606
"837698"	527.314406	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-2H+K"	36.948606
"1560092"	527.314406	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+K-2H"	36.948606
"954181"	535.363994	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-H+HCOOH"	44.998194
"370573"	1025.729801	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+HCOOH-H"	44.998201
"355552"	1039.745451	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+Hac-H"	59.013851
"1500010"	549.379651	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Hac-H"	59.013851
"962083"	557.345951	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-H+NaCOOH"	66.980151
"116093"	525.335202	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+2Cl"	69.938804
"558205"	770.518102	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+2Cl"	69.938804
"1031376"	280.152302	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2Cl"	69.938804
"1254234"	569.284685	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Br"	78.918885
"1312308"	571.340672	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Cl+HCOOH"	80.974872
"1321419"	593.322629	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Cl+NaCOOH"	102.956829
"915759"	603.351386	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M-H+CF3COOH"	112.985586
"1292107"	639.328064	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Cl+CF3COOH"	148.962264
"1371362"	455.353124	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H-2H2O"	-35.012676
"1398224"	473.3631	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H-H2O"	-17.0027
"296571"	981.738876	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+H"	1.007276
"689722"	1472.104676	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+H"	1.007276
"1361696"	491.373076	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H"	1.007276
"138230"	491.373076	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+2H"	2.014552
"575968"	736.555976	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+2H"	2.014552
"1048775"	246.190176	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2H"	2.014552
"215217"	327.917809333333	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+3H"	3.021828
"650407"	491.373076	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+3H"	3.021828
"1171814"	164.462542666667	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+3H"	3.021828
"438373"	998.765423	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+NH4"	18.033823
"799369"	1489.131223	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+NH4"	18.033823
"1693876"	508.399623	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+NH4"	18.033823
"336320"	499.8863495	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+H+NH4"	19.041099
"728740"	745.0692495	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+H+NH4"	19.041099
"1482561"	254.7034495	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H+NH4"	19.041099
"395778"	1003.720818	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+Na"	22.989218
"757865"	1494.086618	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+Na"	22.989218
"1607058"	513.355018	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Na"	22.989218
"318187"	502.364047	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+H+Na"	23.996494
"709516"	747.546947	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+H+Na"	23.996494
"1464430"	257.181147	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H+Na"	23.996494
"1059862"	171.789856666667	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2H+Na"	25.00377
"1268099"	523.399286	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+CH3OH+H"	33.033486
"389956"	1019.694758	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+K"	38.963158
"745483"	1510.060558	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+K"	38.963158
"1545353"	529.328958	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+K"	38.963158
"312745"	510.351017	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+H+K"	39.970434
"696051"	755.533917	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+H+K"	39.970434
"1452061"	265.168117	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H+K"	39.970434
"242848"	1022.765426	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+ACN+H"	42.033826
"1214463"	532.399626	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+ACN+H"	42.033826
"1197253"	266.703451	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+ACN+2H"	43.041102
"195593"	1025.70276	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+2Na-H"	44.97116
"639164"	1516.06856	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+2Na-H"	44.97116
"1141581"	535.33696	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2Na-H"	44.97116
"186699"	513.355018	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+2Na"	45.978436
"628474"	758.537918	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+2Na"	45.978436
"1131328"	268.172118	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2Na"	45.978436
"1412199"	179.117170666667	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H+2Na"	46.985712
"1442491"	537.378546	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H+HCOOH"	47.012746
"230001"	518.38804	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+3H2O+2H"	56.04448
"1519887"	551.43059	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+IsoProp+H"	61.06479
"421760"	521.341988	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+Na+K"	61.952376
"783121"	766.524888	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+Na+K"	61.952376
"1677264"	276.159088	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Na+K"	61.952376
"262688"	1044.747368	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+ACN+Na"	64.015768
"1232481"	554.381568	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+ACN+Na"	64.015768
"1721366"	554.405093	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+NH4+HCOOH"	64.039293
"1184531"	186.444484666667	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+3Na"	68.967654
"1657707"	559.360488	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Na+HCOOH"	68.994688
"163476"	1057.65064	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+2K-H"	76.91904
"604130"	1548.01644	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+2K-H"	76.91904
"1096298"	567.28484	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2K-H"	76.91904
"152021"	529.328958	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"2M+2K"	77.926316
"591581"	774.511858	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"3M+2K"	77.926316
"1079372"	284.146058	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2K"	77.926316
"1107112"	569.299392	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2K+H"	78.933592
"1347874"	569.387007	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+DMSO+H"	79.021207
"1013123"	573.426176	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2ACN+H"	83.060376
"1537811"	574.419808	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+IsoProp+Na+H"	84.054008
"1000977"	287.216726	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+2ACN+2H"	84.067652
"1596573"	575.334428	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+K+HCOOH"	84.968628
"1415306"	605.365938	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+H+CF3COOH"	115.000138
"1148146"	307.730001	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+3ACN+2H"	125.094202
"1708634"	622.392485	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+NH4+CF3COOH"	132.026685
"1645381"	627.34788	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+Na+CF3COOH"	136.98208
"1576658"	643.32182	"C17459"	"Alisol A"	"C30H50O5"	"490.3658"	"M+K+CF3COOH"	152.95602
"813584"	472.3553	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M"	0
"983835"	453.33691	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-H2O-H"	-19.01839
"66610"	313.896257333333	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M-3H"	-3.021828
"514920"	471.348024	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M-3H"	-3.021828
"891992"	156.444490666667	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-3H"	-3.021828
"2547"	471.348024	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M-2H"	-2.014552
"447577"	707.525674	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M-2H"	-2.014552
"828661"	235.170374	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-2H"	-2.014552
"89747"	943.703324	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M-H"	-1.007276
"527117"	1416.058624	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M-H"	-1.007276
"904921"	471.348024	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-H"	-1.007276
"57115"	960.729871	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M-2H+NH4"	16.019271
"497767"	1433.085171	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M-2H+NH4"	16.019271
"873380"	488.374571	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-2H+NH4"	16.019271
"38001"	965.685266	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M-2H+Na"	20.974666
"475007"	1438.040566	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M-2H+Na"	20.974666
"852443"	493.329966	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-2H+Na"	20.974666
"1622712"	493.329966	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Na-2H"	20.974666
"100331"	489.336363	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M-H+Cl"	33.962126
"546459"	725.514013	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M-H+Cl"	33.962126
"935598"	253.158713	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-H+Cl"	33.962126
"276341"	979.680002	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+Cl"	34.969402
"665482"	1452.035302	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+Cl"	34.969402
"1283354"	507.324702	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Cl"	34.969402
"21538"	981.659206	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M-2H+K"	36.948606
"465477"	1454.014506	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M-2H+K"	36.948606
"836715"	509.303906	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-2H+K"	36.948606
"1557043"	509.303906	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+K-2H"	36.948606
"952469"	517.353494	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-H+HCOOH"	44.998194
"372870"	989.708801	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+HCOOH-H"	44.998201
"354569"	1003.724451	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+Hac-H"	59.013851
"1499391"	531.369151	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Hac-H"	59.013851
"960734"	539.335451	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-H+NaCOOH"	66.980151
"114016"	507.324702	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+2Cl"	69.938804
"556856"	743.502352	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+2Cl"	69.938804
"1027841"	271.147052	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2Cl"	69.938804
"1244503"	551.274185	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Br"	78.918885
"1307680"	553.330172	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Cl+HCOOH"	80.974872
"1324446"	575.312129	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Cl+NaCOOH"	102.956829
"916599"	585.340886	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M-H+CF3COOH"	112.985586
"1293311"	621.317564	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Cl+CF3COOH"	148.962264
"1369162"	437.342624	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H-2H2O"	-35.012676
"1398091"	455.3526	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H-H2O"	-17.0027
"294494"	945.717876	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+H"	1.007276
"688009"	1418.073176	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+H"	1.007276
"1366629"	473.362576	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H"	1.007276
"141095"	473.362576	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+2H"	2.014552
"577172"	709.540226	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+2H"	2.014552
"1044146"	237.184926	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2H"	2.014552
"215327"	315.910809333333	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+3H"	3.021828
"648330"	473.362576	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+3H"	3.021828
"1171924"	158.459042666667	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+3H"	3.021828
"434109"	962.744423	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+NH4"	18.033823
"795102"	1435.099723	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+NH4"	18.033823
"1689248"	490.389123	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+NH4"	18.033823
"337525"	481.8758495	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+H+NH4"	19.041099
"726664"	718.0534995	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+H+NH4"	19.041099
"1482670"	245.6981995	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H+NH4"	19.041099
"395888"	967.699818	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+Na"	22.989218
"760162"	1440.055118	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+Na"	22.989218
"1609355"	495.344518	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Na"	22.989218
"321577"	484.353547	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+H+Na"	23.996494
"712908"	720.531197	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+H+Na"	23.996494
"1470008"	248.175897	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H+Na"	23.996494
"1061065"	165.786356666667	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2H+Na"	25.00377
"1267116"	505.388786	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+CH3OH+H"	33.033486
"391769"	983.673758	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+K"	38.963158
"748873"	1456.029058	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+K"	38.963158
"1545463"	511.318458	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+K"	38.963158
"312126"	492.340517	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+H+K"	39.970434
"693975"	728.518167	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+H+K"	39.970434
"1449984"	256.162867	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H+K"	39.970434
"237490"	986.744426	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+ACN+H"	42.033826
"1212386"	514.389126	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+ACN+H"	42.033826
"1196269"	257.698201	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+ACN+2H"	43.041102
"190597"	989.68176	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+2Na-H"	44.97116
"637450"	1462.03706	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+2Na-H"	44.97116
"1142780"	517.32646	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2Na-H"	44.97116
"183888"	495.344518	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+2Na"	45.978436
"624904"	731.522168	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+2Na"	45.978436
"1124040"	259.166868	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2Na"	45.978436
"1406467"	173.113670666667	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H+2Na"	46.985712
"1435305"	519.368046	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H+HCOOH"	47.012746
"223906"	500.37754	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+3H2O+2H"	56.04448
"1513063"	533.42009	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+IsoProp+H"	61.06479
"413844"	503.331488	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+Na+K"	61.952376
"782496"	739.509138	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+Na+K"	61.952376
"1678463"	267.153838	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Na+K"	61.952376
"262068"	1008.726368	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+ACN+Na"	64.015768
"1235869"	536.371068	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+ACN+Na"	64.015768
"1718193"	536.394593	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+NH4+HCOOH"	64.039293
"1183547"	180.440984666667	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+3Na"	68.967654
"1655630"	541.349988	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Na+HCOOH"	68.994688
"164679"	1021.62964	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+2K-H"	76.91904
"602053"	1493.98494	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+2K-H"	76.91904
"1093128"	549.27434	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2K-H"	76.91904
"148851"	511.318458	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"2M+2K"	77.926316
"589504"	747.496108	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"3M+2K"	77.926316
"1075108"	275.140808	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2K"	77.926316
"1105035"	551.288892	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2K+H"	78.933592
"1344704"	551.376507	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+DMSO+H"	79.021207
"1011046"	555.415676	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2ACN+H"	83.060376
"1536829"	556.409308	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+IsoProp+Na+H"	84.054008
"1003274"	278.211476	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+2ACN+2H"	84.067652
"1596683"	557.323928	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+K+HCOOH"	84.968628
"1415781"	587.355438	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+H+CF3COOH"	115.000138
"1147523"	298.724751	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+3ACN+2H"	125.094202
"1699996"	604.381985	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+NH4+CF3COOH"	132.026685
"1644398"	609.33738	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+Na+CF3COOH"	136.98208
"1576768"	625.31132	"C17460"	"Alisol B"	"C30H48O4"	"472.3553"	"M+K+CF3COOH"	152.95602
"812601"	486.3345	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M"	0
"983945"	467.31611	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-H2O-H"	-19.01839
"70002"	323.215724	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M-3H"	-3.021828
"512844"	485.327224	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M-3H"	-3.021828
"888457"	161.104224	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-3H"	-3.021828
"4846"	485.327224	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M-2H"	-2.014552
"450968"	728.494474	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M-2H"	-2.014552
"830959"	242.159974	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-2H"	-2.014552
"92044"	971.661724	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M-H"	-1.007276
"527229"	1457.996224	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M-H"	-1.007276
"906126"	485.327224	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-H"	-1.007276
"56132"	988.688271	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M-2H+NH4"	16.019271
"494596"	1475.022771	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M-2H+NH4"	16.019271
"870210"	502.353771	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-2H+NH4"	16.019271
"37019"	993.643666	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M-2H+Na"	20.974666
"475483"	1479.978166	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M-2H+Na"	20.974666
"853285"	507.309166	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-2H+Na"	20.974666
"1625010"	507.309166	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Na-2H"	20.974666
"98258"	503.315563	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M-H+Cl"	33.962126
"542195"	746.482813	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M-H+Cl"	33.962126
"935708"	260.148313	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-H+Cl"	33.962126
"273171"	1007.638402	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+Cl"	34.969402
"666687"	1493.972902	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+Cl"	34.969402
"1284557"	521.303902	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Cl"	34.969402
"21648"	1009.617606	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M-2H+K"	36.948606
"462302"	1495.952106	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M-2H+K"	36.948606
"834637"	523.283106	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-2H+K"	36.948606
"1565780"	523.283106	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+K-2H"	36.948606
"952579"	531.332694	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-H+HCOOH"	44.998194
"371887"	1017.667201	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+HCOOH-H"	44.998201
"353587"	1031.682851	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+Hac-H"	59.013851
"1501324"	545.348351	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Hac-H"	59.013851
"965585"	553.314651	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-H+NaCOOH"	66.980151
"117773"	521.303902	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+2Cl"	69.938804
"554415"	764.471152	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+2Cl"	69.938804
"1027223"	278.136652	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2Cl"	69.938804
"1244979"	565.253385	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Br"	78.918885
"1311438"	567.309372	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Cl+HCOOH"	80.974872
"1326745"	589.291329	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Cl+NaCOOH"	102.956829
"918897"	599.320086	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M-H+CF3COOH"	112.985586
"1293421"	635.296764	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Cl+CF3COOH"	148.962264
"1374863"	451.321824	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H-2H2O"	-35.012676
"1397837"	469.3318	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H-H2O"	-17.0027
"294968"	973.676276	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+H"	1.007276
"690674"	1460.010776	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+H"	1.007276
"1364833"	487.341776	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H"	1.007276
"140760"	487.341776	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+2H"	2.014552
"581051"	730.509026	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+2H"	2.014552
"1046079"	244.174526	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2H"	2.014552
"211063"	325.230276	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+3H"	3.021828
"653906"	487.341776	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+3H"	3.021828
"1171670"	163.118776	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+3H"	3.021828
"437501"	990.702823	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+NH4"	18.033823
"799588"	1477.037323	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+NH4"	18.033823
"1691545"	504.368323	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+NH4"	18.033823
"337635"	495.8550495	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+H+NH4"	19.041099
"730056"	739.0222995	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+H+NH4"	19.041099
"1481689"	252.6877995	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H+NH4"	19.041099
"395998"	995.658218	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+Na"	22.989218
"759179"	1481.992718	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+Na"	22.989218
"1608373"	509.323718	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Na"	22.989218
"320594"	498.332747	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+H+Na"	23.996494
"714112"	741.499997	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+H+Na"	23.996494
"1471212"	255.165497	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H+Na"	23.996494
"1064457"	170.44609	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2H+Na"	25.00377
"1266133"	519.367986	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+CH3OH+H"	33.033486
"390179"	1011.632158	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+K"	38.963158
"750079"	1497.966658	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+K"	38.963158
"1545573"	525.297658	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+K"	38.963158
"304944"	506.319717	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+H+K"	39.970434
"692991"	749.486967	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+H+K"	39.970434
"1448999"	263.152467	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H+K"	39.970434
"237112"	1014.702826	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+ACN+H"	42.033826
"1211522"	528.368326	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+ACN+H"	42.033826
"1196378"	264.687801	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+ACN+2H"	43.041102
"189854"	1017.64016	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+2Na-H"	44.97116
"635373"	1503.97466	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+2Na-H"	44.97116
"1142890"	531.30566	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2Na-H"	44.97116
"185093"	509.323718	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+2Na"	45.978436
"625015"	752.490968	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+2Na"	45.978436
"1127430"	266.156468	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2Na"	45.978436
"1403299"	177.773404	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H+2Na"	46.985712
"1435779"	533.347246	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H+HCOOH"	47.012746
"225473"	514.35674	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+3H2O+2H"	56.04448
"1515359"	547.39929	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+IsoProp+H"	61.06479
"413954"	517.310688	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+Na+K"	61.952376
"782606"	760.477938	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+Na+K"	61.952376
"1678937"	274.143438	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Na+K"	61.952376
"264364"	1036.684768	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+ACN+Na"	64.015768
"1238165"	550.350268	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+ACN+Na"	64.015768
"1719398"	550.373793	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+NH4+HCOOH"	64.039293
"1191312"	185.100718	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+3Na"	68.967654
"1660113"	555.329188	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Na+HCOOH"	68.994688
"166975"	1049.58804	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+2K-H"	76.91904
"608724"	1535.92254	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+2K-H"	76.91904
"1093237"	563.25354	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2K-H"	76.91904
"153331"	525.297658	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"2M+2K"	77.926316
"592892"	768.464908	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"3M+2K"	77.926316
"1075217"	282.130408	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2K"	77.926316
"1105145"	565.268092	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2K+H"	78.933592
"1347000"	565.355707	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+DMSO+H"	79.021207
"1012249"	569.394876	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2ACN+H"	83.060376
"1537667"	570.388508	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+IsoProp+Na+H"	84.054008
"1004356"	285.201076	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+2ACN+2H"	84.067652
"1595700"	571.303128	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+K+HCOOH"	84.968628
"1418079"	601.334638	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+H+CF3COOH"	115.000138
"1148730"	305.714351	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+3ACN+2H"	125.094202
"1700106"	618.361185	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+NH4+CF3COOH"	132.026685
"1644508"	623.31658	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+Na+CF3COOH"	136.98208
"1574690"	639.29052	"C17461"	"Alisol C"	"C30H46O5"	"486.3345"	"M+K+CF3COOH"	152.95602
"812712"	220.1827	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M"	0
"987336"	201.16431	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"72300"	145.781190666667	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"514048"	219.175424	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"892943"	72.3869573333333	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"4956"	219.175424	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"449985"	329.266774	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"827428"	109.084074	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"91061"	439.358124	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"533173"	659.540824	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"906236"	219.175424	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"57334"	456.384671	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"493613"	676.567371	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"869227"	236.201971	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"36036"	461.340066	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"474135"	681.522766	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"851209"	241.157366	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1620743"	241.157366	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"99461"	237.163763	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"545584"	347.255113	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"936911"	127.072413	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"271094"	475.334802	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"664610"	695.517502	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1283211"	255.152102	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"21759"	477.314006	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"462412"	697.496706	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"836934"	257.131306	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1557142"	257.131306	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"954511"	265.180894	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"370903"	485.363601	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"352604"	499.379251	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1500340"	279.196551	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"964966"	287.162851	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"115330"	255.152102	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"553795"	365.243452	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1025510"	145.060752	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1244359"	299.101585	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1308632"	301.157572	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1330135"	323.139529	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"922287"	333.168286	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1290979"	369.144964	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1370964"	185.170024	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1391382"	203.18	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"291798"	441.372676	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"688594"	661.555376	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1362027"	221.189976	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"133822"	221.189976	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"580309"	331.281326	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1040355"	111.098626	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"208986"	147.795742666667	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"648549"	221.189976	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1168862"	74.4015093333333	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"436515"	458.399223	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"798605"	678.581923	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1692748"	238.216523	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"337745"	229.7032495	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"729075"	339.7945995	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1481801"	119.6118995	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"399389"	463.354618	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"760383"	683.537318	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1610670"	243.171918	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"322893"	232.180947	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"719689"	342.272297	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1470228"	122.089597	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1065660"	81.7288233333333	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1266243"	253.216186	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"389925"	479.328558	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"750554"	699.511258	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1551152"	259.145858	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"305054"	240.167917	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"696382"	350.259267	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1453484"	130.076567	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"238805"	482.399226	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1211755"	262.216526	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1194353"	131.611901	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"189236"	485.33656	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"635483"	705.51926	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1144826"	265.15386	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"186296"	243.171918	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"625125"	353.263268	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1129728"	133.080568	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1408878"	89.0561373333333	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1436619"	267.195446	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"224492"	248.20494	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1517659"	281.24749	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417346"	251.158888	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"783809"	361.250238	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1678926"	141.067538	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"266176"	504.381168	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1239368"	284.198468	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1720601"	284.221993	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1192516"	96.3834513333333	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1660223"	289.177388	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"164898"	517.28444	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"605551"	737.46714	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1092254"	297.10174	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"152348"	259.145858	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"593003"	369.237208	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1075327"	149.054508	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1103068"	299.116292	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1347110"	299.203907	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1014545"	303.243076	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1537048"	304.236708	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1001307"	152.125176	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1594717"	305.151328	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1421469"	335.182838	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1151757"	172.638451	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1699122"	352.209385	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1644618"	357.16478	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1574800"	373.13872	"C17462"	"Alismol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"807356"	249.1729	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M"	0
"985992"	230.15451	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-H2O-H"	-19.01839
"70224"	165.107990666667	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M-3H"	-3.021828
"514160"	248.165624	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M-3H"	-3.021828
"893784"	82.0503573333333	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-3H"	-3.021828
"9441"	248.165624	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M-2H"	-2.014552
"453015"	372.752074	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M-2H"	-2.014552
"830454"	123.579174	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-2H"	-2.014552
"91176"	497.338524	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M-H"	-1.007276
"529642"	746.511424	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M-H"	-1.007276
"904162"	248.165624	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-H"	-1.007276
"54165"	514.365071	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M-2H+NH4"	16.019271
"497003"	763.537971	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M-2H+NH4"	16.019271
"873712"	265.192171	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-2H+NH4"	16.019271
"32866"	519.320466	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M-2H+Na"	20.974666
"480080"	768.493366	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M-2H+Na"	20.974666
"849862"	270.147566	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-2H+Na"	20.974666
"1624135"	270.147566	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Na-2H"	20.974666
"105039"	266.153963	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M-H+Cl"	33.962126
"543508"	390.740413	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M-H+Cl"	33.962126
"934835"	141.567513	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-H+Cl"	33.962126
"274484"	533.315202	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+Cl"	34.969402
"666907"	782.488102	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+Cl"	34.969402
"1286239"	284.142302	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Cl"	34.969402
"26243"	535.294406	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M-2H+K"	36.948606
"462522"	784.467306	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M-2H+K"	36.948606
"840325"	286.121506	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-2H+K"	36.948606
"1558345"	286.121506	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+K-2H"	36.948606
"952798"	294.171094	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-H+HCOOH"	44.998194
"368826"	543.344001	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+HCOOH-H"	44.998201
"355630"	557.359651	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+Hac-H"	59.013851
"1501544"	308.186751	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Hac-H"	59.013851
"966899"	316.153051	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-H+NaCOOH"	66.980151
"117992"	284.142302	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+2Cl"	69.938804
"555000"	408.728752	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+2Cl"	69.938804
"1024527"	159.555852	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2Cl"	69.938804
"1244471"	328.091785	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Br"	78.918885
"1306918"	330.147772	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Cl+HCOOH"	80.974872
"1330245"	352.129729	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Cl+NaCOOH"	102.956829
"923490"	362.158486	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M-H+CF3COOH"	112.985586
"1291089"	398.135164	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Cl+CF3COOH"	148.962264
"1373990"	214.160224	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H-2H2O"	-35.012676
"1395503"	232.1702	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H-H2O"	-17.0027
"295189"	499.353076	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+H"	1.007276
"688704"	748.525976	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+H"	1.007276
"1361773"	250.180176	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H"	1.007276
"133568"	250.180176	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+2H"	2.014552
"577139"	374.766626	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+2H"	2.014552
"1044475"	125.593726	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2H"	2.014552
"211283"	167.122542666667	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+3H"	3.021828
"649753"	250.180176	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+3H"	3.021828
"1168972"	84.0649093333333	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+3H"	3.021828
"436988"	516.379623	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+NH4"	18.033823
"796528"	765.552523	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+NH4"	18.033823
"1691765"	267.206723	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+NH4"	18.033823
"340042"	258.6934495	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+H+NH4"	19.041099
"728090"	383.2798995	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+H+NH4"	19.041099
"1481909"	134.1069995	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H+NH4"	19.041099
"400593"	521.335018	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+Na"	22.989218
"759764"	770.507918	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+Na"	22.989218
"1611875"	272.162118	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Na"	22.989218
"325190"	261.171147	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+H+Na"	23.996494
"718707"	385.757597	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+H+Na"	23.996494
"1473255"	136.584697	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H+Na"	23.996494
"1065406"	91.3922233333333	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2H+Na"	25.00377
"1267449"	282.206386	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+CH3OH+H"	33.033486
"392306"	537.308958	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+K"	38.963158
"751758"	786.481858	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+K"	38.963158
"1546887"	288.136058	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+K"	38.963158
"308444"	269.158117	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+H+K"	39.970434
"693209"	393.744567	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+H+K"	39.970434
"1453594"	144.571667	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H+K"	39.970434
"240007"	540.379626	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+ACN+H"	42.033826
"1214903"	291.206726	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+ACN+H"	42.033826
"1199880"	146.107001	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+ACN+2H"	43.041102
"189466"	543.31696	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+2Na-H"	44.97116
"635593"	792.48986	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+2Na-H"	44.97116
"1143840"	294.14406	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2Na-H"	44.97116
"186772"	272.162118	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+2Na"	45.978436
"625601"	396.748568	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+2Na"	45.978436
"1131096"	147.575668	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2Na"	45.978436
"1413695"	98.7195373333333	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H+2Na"	46.985712
"1438916"	296.185646	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H+HCOOH"	47.012746
"230799"	277.19514	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+3H2O+2H"	56.04448
"1519956"	310.23769	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+IsoProp+H"	61.06479
"417455"	280.149088	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+Na+K"	61.952376
"780638"	404.735538	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+Na+K"	61.952376
"1679523"	155.562638	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Na+K"	61.952376
"261303"	562.361568	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+ACN+Na"	64.015768
"1237292"	313.188668	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+ACN+Na"	64.015768
"1725084"	313.212193	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+NH4+HCOOH"	64.039293
"1191532"	106.046851333333	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+3Na"	68.967654
"1660333"	318.167588	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Na+HCOOH"	68.994688
"169382"	575.26484	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+2K-H"	76.91904
"608941"	824.43774	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+2K-H"	76.91904
"1094551"	326.09194	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2K-H"	76.91904
"152458"	288.136058	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"2M+2K"	77.926316
"592020"	412.722508	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"3M+2K"	77.926316
"1075437"	163.549608	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2K"	77.926316
"1109739"	328.106492	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2K+H"	78.933592
"1347221"	328.194107	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+DMSO+H"	79.021207
"1015750"	332.233276	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2ACN+H"	83.060376
"1537888"	333.226908	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+IsoProp+Na+H"	84.054008
"1004697"	166.620276	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+2ACN+2H"	84.067652
"1597013"	334.141528	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+K+HCOOH"	84.968628
"1422673"	364.173038	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+H+CF3COOH"	115.000138
"1152961"	187.133551	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+3ACN+2H"	125.094202
"1697529"	381.199585	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+NH4+CF3COOH"	132.026685
"1644728"	386.15498	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+Na+CF3COOH"	136.98208
"1577098"	402.12892	"C17463"	"Nupharidine"	"C15H23NO2"	"249.1729"	"M+K+CF3COOH"	152.95602
"811840"	251.1885	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M"	0
"984277"	232.17011	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-H2O-H"	-19.01839
"67054"	166.451724	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M-3H"	-3.021828
"512083"	250.181224	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M-3H"	-3.021828
"888790"	82.722224	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-3H"	-3.021828
"10646"	250.181224	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M-2H"	-2.014552
"446930"	375.775474	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M-2H"	-2.014552
"822545"	124.586974	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-2H"	-2.014552
"84723"	501.369724	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M-H"	-1.007276
"521004"	752.558224	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M-H"	-1.007276
"899897"	250.181224	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-H"	-1.007276
"47343"	518.396271	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M-2H+NH4"	16.019271
"487309"	769.584771	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M-2H+NH4"	16.019271
"864382"	267.207771	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-2H+NH4"	16.019271
"38444"	523.351666	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M-2H+Na"	20.974666
"476911"	774.540166	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M-2H+Na"	20.974666
"848837"	272.163166	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-2H+Na"	20.974666
"1624245"	272.163166	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Na-2H"	20.974666
"105149"	268.169563	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M-H+Cl"	33.962126
"543618"	393.763813	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M-H+Cl"	33.962126
"934945"	142.575313	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-H+Cl"	33.962126
"274594"	537.346402	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+Cl"	34.969402
"667017"	788.534902	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+Cl"	34.969402
"1284891"	286.157902	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Cl"	34.969402
"26353"	539.325606	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M-2H+K"	36.948606
"462632"	790.514106	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M-2H+K"	36.948606
"840435"	288.137106	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-2H+K"	36.948606
"1557725"	288.137106	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+K-2H"	36.948606
"954003"	296.186694	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-H+HCOOH"	44.998194
"368936"	547.375201	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+HCOOH-H"	44.998201
"358656"	561.390851	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+Hac-H"	59.013851
"1501654"	310.202351	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Hac-H"	59.013851
"968102"	318.168651	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-H+NaCOOH"	66.980151
"117009"	286.157902	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+2Cl"	69.938804
"554382"	411.752152	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+2Cl"	69.938804
"1026097"	160.563652	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2Cl"	69.938804
"1246041"	330.107385	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Br"	78.918885
"1304477"	332.163372	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Cl+HCOOH"	80.974872
"1328170"	354.145329	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Cl+NaCOOH"	102.956829
"919227"	364.174086	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M-H+CF3COOH"	112.985586
"1291199"	400.150764	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Cl+CF3COOH"	148.962264
"1373007"	216.175824	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H-2H2O"	-35.012676
"1396342"	234.1858	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H-H2O"	-17.0027
"295299"	503.384276	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+H"	1.007276
"688814"	754.572776	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+H"	1.007276
"1361883"	252.195776	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H"	1.007276
"133678"	252.195776	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+2H"	2.014552
"579682"	377.790026	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+2H"	2.014552
"1044585"	126.601526	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2H"	2.014552
"211393"	168.466276	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+3H"	3.021828
"648770"	252.195776	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+3H"	3.021828
"1169082"	84.736776	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+3H"	3.021828
"434547"	520.410823	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+NH4"	18.033823
"798458"	771.599323	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+NH4"	18.033823
"1691875"	269.222323	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+NH4"	18.033823
"340152"	260.7090495	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+H+NH4"	19.041099
"728201"	386.3032995	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+H+NH4"	19.041099
"1482019"	135.1147995	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H+NH4"	19.041099
"398882"	525.366218	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+Na"	22.989218
"759510"	776.554718	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+Na"	22.989218
"1607975"	274.177718	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Na"	22.989218
"323113"	263.186747	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+H+Na"	23.996494
"715536"	388.780997	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+H+Na"	23.996494
"1472272"	137.592497	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H+Na"	23.996494
"1063329"	92.06409	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2H+Na"	25.00377
"1267558"	284.221986	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+CH3OH+H"	33.033486
"390144"	541.340158	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+K"	38.963158
"751868"	792.528658	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+K"	38.963158
"1543713"	290.151658	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+K"	38.963158
"301991"	271.173717	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+H+K"	39.970434
"692224"	396.767967	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+H+K"	39.970434
"1445668"	145.579467	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H+K"	39.970434
"236834"	544.410826	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+ACN+H"	42.033826
"1212823"	293.222326	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+ACN+H"	42.033826
"1194190"	147.114801	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+ACN+2H"	43.041102
"188757"	547.34816	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+2Na-H"	44.97116
"629505"	798.53666	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+2Na-H"	44.97116
"1139939"	296.15966	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2Na-H"	44.97116
"186516"	274.177718	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+2Na"	45.978436
"624248"	399.771968	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+2Na"	45.978436
"1128852"	148.583468	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2Na"	45.978436
"1414046"	99.391404	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H+2Na"	46.985712
"1443765"	298.201246	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H+HCOOH"	47.012746
"230908"	279.21074	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+3H2O+2H"	56.04448
"1518974"	312.25329	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+IsoProp+H"	61.06479
"416472"	282.164688	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+Na+K"	61.952376
"782935"	407.758938	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+Na+K"	61.952376
"1678173"	156.570438	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Na+K"	61.952376
"264693"	566.392768	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+ACN+Na"	64.015768
"1234121"	315.204268	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+ACN+Na"	64.015768
"1720820"	315.227793	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+NH4+HCOOH"	64.039293
"1189455"	106.718718	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+3Na"	68.967654
"1657162"	320.183188	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Na+HCOOH"	68.994688
"164023"	579.29604	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+2K-H"	76.91904
"607958"	830.48454	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+2K-H"	76.91904
"1095752"	328.10754	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2K-H"	76.91904
"152569"	290.151658	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"2M+2K"	77.926316
"588848"	415.745908	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"3M+2K"	77.926316
"1069714"	164.557408	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2K"	77.926316
"1100370"	330.122092	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2K+H"	78.933592
"1342956"	330.209707	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+DMSO+H"	79.021207
"1015860"	334.248876	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2ACN+H"	83.060376
"1536173"	335.242508	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+IsoProp+Na+H"	84.054008
"1001527"	167.628076	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+2ACN+2H"	84.067652
"1591655"	336.157128	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+K+HCOOH"	84.968628
"1414354"	366.188638	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+H+CF3COOH"	115.000138
"1147354"	188.141351	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+3ACN+2H"	125.094202
"1697390"	383.215185	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+NH4+CF3COOH"	132.026685
"1643744"	388.17058	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+Na+CF3COOH"	136.98208
"1572833"	404.14452	"C17464"	"Nupharamine"	"C15H25NO2"	"251.1885"	"M+K+CF3COOH"	152.95602
"816201"	728.2164	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M"	0
"984387"	709.19801	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-H2O-H"	-19.01839
"70444"	484.470324	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M-3H"	-3.021828
"513287"	727.209124	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M-3H"	-3.021828
"889993"	241.731524	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-3H"	-3.021828
"12943"	727.209124	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M-2H"	-2.014552
"449224"	1091.317324	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M-2H"	-2.014552
"827028"	363.100924	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-2H"	-2.014552
"85926"	1455.425524	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M-H"	-1.007276
"522206"	2183.641924	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M-H"	-1.007276
"902195"	727.209124	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-H"	-1.007276
"47374"	1472.452071	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M-2H+NH4"	16.019271
"488832"	2200.668471	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M-2H+NH4"	16.019271
"865428"	744.235671	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-2H+NH4"	16.019271
"36368"	1477.407466	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M-2H+Na"	20.974666
"477021"	2205.623866	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M-2H+Na"	20.974666
"855916"	749.191066	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-2H+Na"	20.974666
"1622168"	749.191066	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Na-2H"	20.974666
"97604"	745.197463	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M-H+Cl"	33.962126
"545914"	1109.305663	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M-H+Cl"	33.962126
"937241"	381.089263	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-H+Cl"	33.962126
"274704"	1491.402202	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+Cl"	34.969402
"667127"	2219.618602	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+Cl"	34.969402
"1285366"	763.185802	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Cl"	34.969402
"28652"	1493.381406	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M-2H+K"	36.948606
"466023"	2221.597806	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M-2H+K"	36.948606
"842733"	765.165006	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-2H+K"	36.948606
"1560752"	765.165006	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+K-2H"	36.948606
"954113"	773.214594	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-H+HCOOH"	44.998194
"370140"	1501.431001	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+HCOOH-H"	44.998201
"358038"	1515.446651	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+Hac-H"	59.013851
"1500671"	787.230251	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Hac-H"	59.013851
"968213"	795.196551	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-H+NaCOOH"	66.980151
"119306"	763.185802	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+2Cl"	69.938804
"554494"	1127.294002	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+2Cl"	69.938804
"1024383"	399.077602	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2Cl"	69.938804
"1245421"	807.135285	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Br"	78.918885
"1307138"	809.191272	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Cl+HCOOH"	80.974872
"1329373"	831.173229	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Cl+NaCOOH"	102.956829
"918608"	841.201986	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M-H+CF3COOH"	112.985586
"1288838"	877.178664	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Cl+CF3COOH"	148.962264
"1372024"	693.203724	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H-2H2O"	-35.012676
"1395723"	711.2137	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H-H2O"	-17.0027
"294680"	1457.440076	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+H"	1.007276
"687831"	2185.656476	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+H"	1.007276
"1362357"	729.223676	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H"	1.007276
"134152"	729.223676	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+2H"	2.014552
"580399"	1093.331876	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+2H"	2.014552
"1041415"	365.115476	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2H"	2.014552
"208223"	486.484876	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+3H"	3.021828
"648880"	729.223676	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+3H"	3.021828
"1169192"	243.746076	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+3H"	3.021828
"437939"	1474.466623	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+NH4"	18.033823
"799297"	2202.683023	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+NH4"	18.033823
"1694171"	746.250223	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+NH4"	18.033823
"340262"	737.7369495	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+H+NH4"	19.041099
"730495"	1101.8451495	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+H+NH4"	19.041099
"1483222"	373.6287495	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H+NH4"	19.041099
"396437"	1479.422018	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+Na"	22.989218
"759620"	2207.638418	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+Na"	22.989218
"1607716"	751.205618	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Na"	22.989218
"319576"	740.214647	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+H+Na"	23.996494
"716737"	1104.322847	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+H+Na"	23.996494
"1471653"	376.106447	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H+Na"	23.996494
"1062709"	251.07339	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2H+Na"	25.00377
"1268397"	761.249886	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+CH3OH+H"	33.033486
"388067"	1495.395958	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+K"	38.963158
"749426"	2223.612358	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+K"	38.963158
"1543825"	767.179558	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+K"	38.963158
"300642"	748.201617	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+H+K"	39.970434
"692334"	1112.309817	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+H+K"	39.970434
"1445623"	384.093417	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H+K"	39.970434
"238038"	1498.466626	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+ACN+H"	42.033826
"1212568"	770.250226	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+ACN+H"	42.033826
"1194342"	385.628751	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+ACN+2H"	43.041102
"189077"	1501.40396	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+2Na-H"	44.97116
"629979"	2229.62036	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+2Na-H"	44.97116
"1140413"	773.18756	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2Na-H"	44.97116
"186629"	751.205618	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+2Na"	45.978436
"623994"	1115.313818	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+2Na"	45.978436
"1128965"	387.097418	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2Na"	45.978436
"1413590"	258.400704	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H+2Na"	46.985712
"1444241"	775.229146	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H+HCOOH"	47.012746
"233328"	756.23864	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+3H2O+2H"	56.04448
"1521150"	789.28119	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+IsoProp+H"	61.06479
"418769"	759.192588	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+Na+K"	61.952376
"781952"	1123.300788	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+Na+K"	61.952376
"1679012"	395.084388	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Na+K"	61.952376
"265653"	1520.448568	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+ACN+Na"	64.015768
"1234231"	792.232168	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+ACN+Na"	64.015768
"1720930"	792.255693	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+NH4+HCOOH"	64.039293
"1188472"	265.728018	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+3Na"	68.967654
"1660552"	797.211088	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Na+HCOOH"	68.994688
"164133"	1533.35184	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+2K-H"	76.91904
"608068"	2261.56824	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+2K-H"	76.91904
"1095862"	805.13544	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2K-H"	76.91904
"152679"	767.179558	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"2M+2K"	77.926316
"590051"	1131.287758	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"3M+2K"	77.926316
"1069093"	403.071358	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2K"	77.926316
"1101087"	807.149992	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2K+H"	78.933592
"1344159"	807.237607	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+DMSO+H"	79.021207
"1015969"	811.276776	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2ACN+H"	83.060376
"1537376"	812.270408	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+IsoProp+Na+H"	84.054008
"1000543"	406.142026	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+2ACN+2H"	84.067652
"1591765"	813.185028	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+K+HCOOH"	84.968628
"1416332"	843.216538	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+H+CF3COOH"	115.000138
"1147342"	426.655301	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+3ACN+2H"	125.094202
"1697987"	860.243085	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+NH4+CF3COOH"	132.026685
"1642759"	865.19848	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+Na+CF3COOH"	136.98208
"1572943"	881.17242	"C17465"	"Parishin B"	"C32H40O19"	"728.2164"	"M+K+CF3COOH"	152.95602
"815705"	728.2164	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M"	0
"989559"	709.19801	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-H2O-H"	-19.01839
"74928"	484.470324	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M-3H"	-3.021828
"515583"	727.209124	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M-3H"	-3.021828
"894114"	241.731524	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-3H"	-3.021828
"11960"	727.209124	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M-2H"	-2.014552
"446055"	1091.317324	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M-2H"	-2.014552
"826044"	363.100924	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-2H"	-2.014552
"88224"	1455.425524	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M-H"	-1.007276
"523410"	2183.641924	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M-H"	-1.007276
"903399"	727.209124	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-H"	-1.007276
"47566"	1472.452071	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M-2H+NH4"	16.019271
"489305"	2200.668471	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M-2H+NH4"	16.019271
"868577"	744.235671	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-2H+NH4"	16.019271
"38665"	1477.407466	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M-2H+Na"	20.974666
"480413"	2205.623866	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M-2H+Na"	20.974666
"856027"	749.191066	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-2H+Na"	20.974666
"1623373"	749.191066	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Na-2H"	20.974666
"106462"	745.197463	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M-H+Cl"	33.962126
"547117"	1109.305663	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M-H+Cl"	33.962126
"941362"	381.089263	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-H+Cl"	33.962126
"280282"	1491.402202	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+Cl"	34.969402
"671982"	2219.618602	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+Cl"	34.969402
"1285477"	763.185802	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Cl"	34.969402
"24756"	1493.381406	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M-2H+K"	36.948606
"466134"	2221.597806	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M-2H+K"	36.948606
"845759"	765.165006	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-2H+K"	36.948606
"1567422"	765.165006	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+K-2H"	36.948606
"950943"	773.214594	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-H+HCOOH"	44.998194
"368063"	1501.431001	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+HCOOH-H"	44.998201
"351951"	1515.446651	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+Hac-H"	59.013851
"1499687"	787.230251	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Hac-H"	59.013851
"963948"	795.196551	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-H+NaCOOH"	66.980151
"113218"	763.185802	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+2Cl"	69.938804
"552049"	1127.294002	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+2Cl"	69.938804
"1021694"	399.077602	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2Cl"	69.938804
"1241513"	807.135285	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Br"	78.918885
"1304452"	809.191272	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Cl+HCOOH"	80.974872
"1321465"	831.173229	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Cl+NaCOOH"	102.956829
"916533"	841.201986	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M-H+CF3COOH"	112.985586
"1288868"	877.178664	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Cl+CF3COOH"	148.962264
"1372498"	693.203724	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H-2H2O"	-35.012676
"1398263"	711.2137	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H-H2O"	-17.0027
"295883"	1457.440076	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+H"	1.007276
"689400"	2185.656476	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+H"	1.007276
"1365019"	729.223676	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H"	1.007276
"138638"	729.223676	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+2H"	2.014552
"568356"	1093.331876	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+2H"	2.014552
"1044805"	365.115476	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2H"	2.014552
"213801"	486.484876	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+3H"	3.021828
"655550"	729.223676	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+3H"	3.021828
"1170396"	243.746076	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+3H"	3.021828
"436954"	1474.466623	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+NH4"	18.033823
"800379"	2202.683023	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+NH4"	18.033823
"1693186"	746.250223	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+NH4"	18.033823
"341463"	737.7369495	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+H+NH4"	19.041099
"734978"	1101.8451495	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+H+NH4"	19.041099
"1485518"	373.6287495	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H+NH4"	19.041099
"399827"	1479.422018	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+Na"	22.989218
"760823"	2207.638418	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+Na"	22.989218
"1610013"	751.205618	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Na"	22.989218
"322238"	740.214647	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+H+Na"	23.996494
"716847"	1104.322847	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+H+Na"	23.996494
"1472856"	376.106447	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H+Na"	23.996494
"1062819"	251.07339	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2H+Na"	25.00377
"1268871"	761.249886	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+CH3OH+H"	33.033486
"388177"	1495.395958	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+K"	38.963158
"751723"	2223.612358	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+K"	38.963158
"1542842"	767.179558	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+K"	38.963158
"301481"	748.201617	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+H+K"	39.970434
"694632"	1112.309817	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+H+K"	39.970434
"1446140"	384.093417	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H+K"	39.970434
"237783"	1498.466626	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+ACN+H"	42.033826
"1211952"	770.250226	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+ACN+H"	42.033826
"1194494"	385.628751	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+ACN+2H"	43.041102
"189794"	1501.40396	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+2Na-H"	44.97116
"629846"	2229.62036	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+2Na-H"	44.97116
"1138336"	773.18756	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2Na-H"	44.97116
"187468"	751.205618	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+2Na"	45.978436
"623375"	1115.313818	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+2Na"	45.978436
"1129681"	387.097418	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2Na"	45.978436
"1413089"	258.400704	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H+2Na"	46.985712
"1441797"	775.229146	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H+HCOOH"	47.012746
"230399"	756.23864	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+3H2O+2H"	56.04448
"1517006"	789.28119	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+IsoProp+H"	61.06479
"418513"	759.192588	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+Na+K"	61.952376
"779875"	1123.300788	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+Na+K"	61.952376
"1679486"	395.084388	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Na+K"	61.952376
"263819"	1520.448568	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+ACN+Na"	64.015768
"1234341"	792.232168	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+ACN+Na"	64.015768
"1722134"	792.255693	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+NH4+HCOOH"	64.039293
"1187489"	265.728018	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+3Na"	68.967654
"1660662"	797.211088	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Na+HCOOH"	68.994688
"164243"	1533.35184	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+2K-H"	76.91904
"608178"	2261.56824	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+2K-H"	76.91904
"1095971"	805.13544	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2K-H"	76.91904
"149509"	767.179558	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"2M+2K"	77.926316
"589067"	1131.287758	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"3M+2K"	77.926316
"1068759"	403.071358	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2K"	77.926316
"1103509"	807.149992	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2K+H"	78.933592
"1336734"	807.237607	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+DMSO+H"	79.021207
"1014986"	811.276776	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2ACN+H"	83.060376
"1532017"	812.270408	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+IsoProp+Na+H"	84.054008
"1001747"	406.142026	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+2ACN+2H"	84.067652
"1589689"	813.185028	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+K+HCOOH"	84.968628
"1417536"	843.216538	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+H+CF3COOH"	115.000138
"1150010"	426.655301	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+3ACN+2H"	125.094202
"1697165"	860.243085	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+NH4+CF3COOH"	132.026685
"1642869"	865.19848	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+Na+CF3COOH"	136.98208
"1573053"	881.17242	"C17466"	"Parishin C"	"C32H40O19"	"728.2164"	"M+K+CF3COOH"	152.95602
"815449"	124.0524	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M"	0
"987886"	105.03401	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-H2O-H"	-19.01839
"77954"	81.694324	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M-3H"	-3.021828
"514600"	123.045124	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M-3H"	-3.021828
"895197"	40.343524	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-3H"	-3.021828
"14258"	123.045124	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M-2H"	-2.014552
"449444"	185.071324	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M-2H"	-2.014552
"826154"	61.018924	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-2H"	-2.014552
"86147"	247.097524	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M-H"	-1.007276
"527895"	371.149924	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M-H"	-1.007276
"904603"	123.045124	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-H"	-1.007276
"48769"	264.124071	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M-2H+NH4"	16.019271
"489422"	388.176471	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M-2H+NH4"	16.019271
"867594"	140.071671	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-2H+NH4"	16.019271
"39868"	269.079466	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M-2H+Na"	20.974666
"478337"	393.131866	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M-2H+Na"	20.974666
"856137"	145.027066	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-2H+Na"	20.974666
"1626762"	145.027066	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Na-2H"	20.974666
"106572"	141.033463	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M-H+Cl"	33.962126
"546135"	203.059663	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M-H+Cl"	33.962126
"940380"	79.007263	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-H+Cl"	33.962126
"279300"	283.074202	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+Cl"	34.969402
"669540"	407.126602	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+Cl"	34.969402
"1283037"	159.021802	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Cl"	34.969402
"25959"	285.053406	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M-2H+K"	36.948606
"469162"	409.105806	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M-2H+K"	36.948606
"846233"	161.001006	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-2H+K"	36.948606
"1566439"	161.001006	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+K-2H"	36.948606
"946678"	169.050594	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-H+HCOOH"	44.998194
"368173"	293.103001	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+HCOOH-H"	44.998201
"347685"	307.118651	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+Hac-H"	59.013851
"1496516"	183.066251	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Hac-H"	59.013851
"960776"	191.032551	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-H+NaCOOH"	66.980151
"111505"	159.021802	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+2Cl"	69.938804
"553253"	221.048002	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+2Cl"	69.938804
"1022654"	96.995602	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2Cl"	69.938804
"1243814"	202.971285	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Br"	78.918885
"1305902"	205.027272	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Cl+HCOOH"	80.974872
"1323034"	227.009229	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Cl+NaCOOH"	102.956829
"917008"	237.037986	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M-H+CF3COOH"	112.985586
"1291527"	273.014664	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Cl+CF3COOH"	148.962264
"1372240"	89.039724	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H-2H2O"	-35.012676
"1391931"	107.0497	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H-H2O"	-17.0027
"294900"	249.112076	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+H"	1.007276
"685134"	373.164476	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+H"	1.007276
"1361483"	125.059676	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H"	1.007276
"138020"	125.059676	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+2H"	2.014552
"571746"	187.085876	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+2H"	2.014552
"1046010"	63.033476	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2H"	2.014552
"213912"	83.708876	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+3H"	3.021828
"655660"	125.059676	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+3H"	3.021828
"1170506"	42.358076	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+3H"	3.021828
"436699"	266.138623	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+NH4"	18.033823
"799881"	390.191023	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+NH4"	18.033823
"1694390"	142.086223	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+NH4"	18.033823
"341573"	133.5729495	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+H+NH4"	19.041099
"735089"	195.5991495	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+H+NH4"	19.041099
"1486722"	71.5467495	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H+NH4"	19.041099
"397750"	271.094018	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+Na"	22.989218
"758744"	395.146418	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+Na"	22.989218
"1611216"	147.041618	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Na"	22.989218
"321254"	136.050647	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+H+Na"	23.996494
"714768"	198.076847	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+H+Na"	23.996494
"1468590"	74.024447	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H+Na"	23.996494
"1059648"	49.68539	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2H+Na"	25.00377
"1265700"	157.085886	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+CH3OH+H"	33.033486
"387557"	287.067958	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+K"	38.963158
"749646"	411.120358	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+K"	38.963158
"1541250"	163.015558	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+K"	38.963158
"301227"	144.037617	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+H+K"	39.970434
"692189"	206.063817	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+H+K"	39.970434
"1447467"	82.011417	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H+K"	39.970434
"240445"	290.138626	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+ACN+H"	42.033826
"1215340"	166.086226	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+ACN+H"	42.033826
"1198128"	83.546751	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+ACN+2H"	43.041102
"189907"	293.07596	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+2Na-H"	44.97116
"629710"	417.12836	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+2Na-H"	44.97116
"1138446"	169.02356	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2Na-H"	44.97116
"185753"	147.041618	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+2Na"	45.978436
"623854"	209.067818	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+2Na"	45.978436
"1130155"	85.015418	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2Na"	45.978436
"1413074"	57.012704	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H+2Na"	46.985712
"1443729"	171.065146	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H+HCOOH"	47.012746
"231603"	152.07464	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+3H2O+2H"	56.04448
"1518210"	185.11719	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+IsoProp+H"	61.06479
"418988"	155.028588	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+Na+K"	61.952376
"777797"	217.054788	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+Na+K"	61.952376
"1678502"	93.002388	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Na+K"	61.952376
"265874"	312.120568	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+ACN+Na"	64.015768
"1234451"	188.068168	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+ACN+Na"	64.015768
"1720057"	188.091693	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+NH4+HCOOH"	64.039293
"1188692"	64.340018	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+3Na"	68.967654
"1660772"	193.047088	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Na+HCOOH"	68.994688
"164353"	325.02384	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+2K-H"	76.91904
"609382"	449.07624	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+2K-H"	76.91904
"1091707"	200.97144	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2K-H"	76.91904
"147431"	163.015558	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"2M+2K"	77.926316
"588084"	225.041758	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"3M+2K"	77.926316
"1069433"	100.989358	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2K"	77.926316
"1103619"	202.985992	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2K+H"	78.933592
"1337086"	203.073607	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+DMSO+H"	79.021207
"1008533"	207.112776	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2ACN+H"	83.060376
"1529940"	208.106408	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+IsoProp+Na+H"	84.054008
"996389"	104.060026	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+2ACN+2H"	84.067652
"1589799"	209.021028	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+K+HCOOH"	84.968628
"1416553"	239.052538	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+H+CF3COOH"	115.000138
"1150120"	124.573301	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+3ACN+2H"	125.094202
"1697039"	256.079085	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+NH4+CF3COOH"	132.026685
"1641886"	261.03448	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+Na+CF3COOH"	136.98208
"1571582"	277.00842	"C17467"	"p-Hydroxybenzyl alcohol;4-Hydroxybenzyl alcohol;p-Methylolphenol"	"C7H8O2"	"124.0524"	"M+K+CF3COOH"	152.95602
"815561"	1062.5611	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M"	0
"989891"	1043.54271	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-H2O-H"	-19.01839
"76975"	707.366790666667	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M-3H"	-3.021828
"518456"	1061.553824	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M-3H"	-3.021828
"894341"	353.179757333333	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-3H"	-3.021828
"12183"	1061.553824	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M-2H"	-2.014552
"452836"	1592.834374	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M-2H"	-2.014552
"829544"	530.273274	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-2H"	-2.014552
"88444"	2124.114924	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M-H"	-1.007276
"529099"	3186.676024	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M-H"	-1.007276
"905808"	1061.553824	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-H"	-1.007276
"51434"	2141.141471	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M-2H+NH4"	16.019271
"495371"	3203.702571	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M-2H+NH4"	16.019271
"872080"	1078.580371	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-2H+NH4"	16.019271
"39980"	2146.096866	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M-2H+Na"	20.974666
"481727"	3208.657966	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M-2H+Na"	20.974666
"856247"	1083.535766	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-2H+Na"	20.974666
"1626873"	1083.535766	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Na-2H"	20.974666
"106682"	1079.542163	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M-H+Cl"	33.962126
"545883"	1610.822713	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M-H+Cl"	33.962126
"940490"	548.261613	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-H+Cl"	33.962126
"278683"	2160.091602	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+Cl"	34.969402
"673902"	3222.652702	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+Cl"	34.969402
"1283877"	1097.530502	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Cl"	34.969402
"30079"	2162.070806	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M-2H+K"	36.948606
"471054"	3224.631906	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M-2H+K"	36.948606
"845250"	1099.509706	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-2H+K"	36.948606
"1564362"	1099.509706	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+K-2H"	36.948606
"953349"	1107.559294	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-H+HCOOH"	44.998194
"367190"	2170.120401	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+HCOOH-H"	44.998201
"354356"	2184.136051	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+Hac-H"	59.013851
"1502094"	1121.574951	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Hac-H"	59.013851
"964168"	1129.541251	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-H+NaCOOH"	66.980151
"118543"	1097.530502	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+2Cl"	69.938804
"552390"	1628.811052	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+2Cl"	69.938804
"1023987"	566.249952	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2Cl"	69.938804
"1244657"	1141.479985	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Br"	78.918885
"1306375"	1143.535972	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Cl+HCOOH"	80.974872
"1326427"	1165.517929	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Cl+NaCOOH"	102.956829
"920764"	1175.546686	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M-H+CF3COOH"	112.985586
"1291275"	1211.523364	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Cl+CF3COOH"	148.962264
"1370531"	1027.548424	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H-2H2O"	-35.012676
"1394230"	1045.5584	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H-H2O"	-17.0027
"297564"	2126.129476	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+H"	1.007276
"689259"	3188.690576	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+H"	1.007276
"1365604"	1063.568376	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H"	1.007276
"140318"	1063.568376	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+2H"	2.014552
"578419"	1594.848926	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+2H"	2.014552
"1050132"	532.287826	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2H"	2.014552
"218766"	709.381342666667	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+3H"	3.021828
"654677"	1063.568376	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+3H"	3.021828
"1171710"	355.194309333333	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+3H"	3.021828
"437173"	2143.156023	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+NH4"	18.033823
"799991"	3205.717123	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+NH4"	18.033823
"1695229"	1080.594923	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+NH4"	18.033823
"340590"	1072.0816495	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+H+NH4"	19.041099
"734106"	1603.3621995	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+H+NH4"	19.041099
"1486832"	540.8010995	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H+NH4"	19.041099
"402234"	2148.111418	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+Na"	22.989218
"762136"	3210.672518	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+Na"	22.989218
"1613513"	1085.550318	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Na"	22.989218
"323549"	1074.559347	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+H+Na"	23.996494
"718158"	1605.839897	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+H+Na"	23.996494
"1473074"	543.278797	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H+Na"	23.996494
"1065955"	362.521623333333	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2H+Na"	25.00377
"1265812"	1095.594586	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+CH3OH+H"	33.033486
"383293"	2164.085358	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+K"	38.963158
"752673"	3226.646458	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+K"	38.963158
"1544155"	1101.524258	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+K"	38.963158
"300244"	1082.546317	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+H+K"	39.970434
"692056"	1613.826867	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+H+K"	39.970434
"1446606"	551.265767	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H+K"	39.970434
"239462"	2167.156026	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+ACN+H"	42.033826
"1214358"	1104.594926	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+ACN+H"	42.033826
"1198240"	552.801101	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+ACN+2H"	43.041102
"191113"	2170.09336	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+2Na-H"	44.97116
"632859"	3232.65446	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+2Na-H"	44.97116
"1135277"	1107.53226	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2Na-H"	44.97116
"185134"	1085.550318	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+2Na"	45.978436
"623964"	1616.830868	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+2Na"	45.978436
"1129293"	554.269768	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2Na"	45.978436
"1412817"	369.848937333333	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H+2Na"	46.985712
"1443110"	1109.573846	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H+HCOOH"	47.012746
"230984"	1090.58334	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+3H2O+2H"	56.04448
"1517227"	1123.62589	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+IsoProp+H"	61.06479
"415818"	1093.537288	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+Na+K"	61.952376
"777907"	1624.817838	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+Na+K"	61.952376
"1676425"	562.256738	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Na+K"	61.952376
"256383"	2189.137968	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+ACN+Na"	64.015768
"1236748"	1126.576868	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+ACN+Na"	64.015768
"1719074"	1126.600393	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+NH4+HCOOH"	64.039293
"1192083"	377.176251333333	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+3Na"	68.967654
"1654321"	1131.555788	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Na+HCOOH"	68.994688
"164463"	2202.04124	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+2K-H"	76.91904
"602931"	3264.60234	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+2K-H"	76.91904
"1087443"	1139.48014	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2K-H"	76.91904
"147541"	1101.524258	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"2M+2K"	77.926316
"589287"	1632.804808	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"3M+2K"	77.926316
"1070032"	570.243708	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2K"	77.926316
"1101297"	1141.494692	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2K+H"	78.933592
"1341207"	1141.582307	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+DMSO+H"	79.021207
"1008643"	1145.621476	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2ACN+H"	83.060376
"1532237"	1146.615108	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+IsoProp+Na+H"	84.054008
"994311"	573.314376	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+2ACN+2H"	84.067652
"1589908"	1147.529728	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+K+HCOOH"	84.968628
"1419943"	1177.561238	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+H+CF3COOH"	115.000138
"1152417"	593.827651	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+3ACN+2H"	125.094202
"1698688"	1194.587785	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+NH4+CF3COOH"	132.026685
"1638716"	1199.54318	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+Na+CF3COOH"	136.98208
"1572179"	1215.51712	"C17468"	"Methylprotodioscin"	"C52H86O22"	"1062.5611"	"M+K+CF3COOH"	152.95602
"816035"	1030.5349	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M"	0
"989079"	1011.51651	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-H2O-H"	-19.01839
"77813"	686.015990666667	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M-3H"	-3.021828
"517863"	1029.527624	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M-3H"	-3.021828
"895057"	342.504357333333	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-3H"	-3.021828
"14480"	1029.527624	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M-2H"	-2.014552
"453313"	1544.795074	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M-2H"	-2.014552
"828929"	514.260174	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-2H"	-2.014552
"90378"	2060.062524	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M-H"	-1.007276
"529940"	3090.597424	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M-H"	-1.007276
"905917"	1029.527624	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-H"	-1.007276
"57011"	2077.089071	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M-2H+NH4"	16.019271
"495481"	3107.623971	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M-2H+NH4"	16.019271
"876564"	1046.554171	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-2H+NH4"	16.019271
"42643"	2082.044466	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M-2H+Na"	20.974666
"479652"	3112.579366	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M-2H+Na"	20.974666
"860370"	1051.509566	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-2H+Na"	20.974666
"1629172"	1051.509566	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Na-2H"	20.974666
"105702"	1047.515963	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M-H+Cl"	33.962126
"545626"	1562.783413	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M-H+Cl"	33.962126
"939871"	532.248513	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-H+Cl"	33.962126
"280984"	2096.039202	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+Cl"	34.969402
"671947"	3126.574102	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+Cl"	34.969402
"1283622"	1065.504302	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Cl"	34.969402
"27638"	2098.018406	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M-2H+K"	36.948606
"467560"	3128.553306	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M-2H+K"	36.948606
"845363"	1067.483506	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-2H+K"	36.948606
"1565565"	1067.483506	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+K-2H"	36.948606
"946526"	1075.533094	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-H+HCOOH"	44.998194
"373861"	2106.068001	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+HCOOH-H"	44.998201
"357747"	2120.083651	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+Hac-H"	59.013851
"1503297"	1089.548751	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Hac-H"	59.013851
"968652"	1097.515051	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-H+NaCOOH"	66.980151
"119747"	1065.504302	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+2Cl"	69.938804
"557120"	1580.771752	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+2Cl"	69.938804
"1025921"	550.236852	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2Cl"	69.938804
"1249872"	1109.453785	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Br"	78.918885
"1308310"	1111.509772	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Cl+HCOOH"	80.974872
"1326537"	1133.491729	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Cl+NaCOOH"	102.956829
"916503"	1143.520486	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M-H+CF3COOH"	112.985586
"1292478"	1179.497164	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Cl+CF3COOH"	148.962264
"1375745"	995.522224	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H-2H2O"	-35.012676
"1394340"	1013.5322	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H-H2O"	-17.0027
"296943"	2062.077076	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+H"	1.007276
"691152"	3092.611976	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+H"	1.007276
"1364987"	1031.542176	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H"	1.007276
"140792"	1031.542176	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+2H"	2.014552
"580597"	1546.809626	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+2H"	2.014552
"1050972"	516.274726	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2H"	2.014552
"218146"	688.030542666667	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+3H"	3.021828
"654788"	1031.542176	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+3H"	3.021828
"1171821"	344.518909333333	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+3H"	3.021828
"438378"	2079.103623	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+NH4"	18.033823
"799375"	3109.638523	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+NH4"	18.033823
"1696193"	1048.568723	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+NH4"	18.033823
"345323"	1040.0554495	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+H+NH4"	19.041099
"738452"	1555.3228995	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+H+NH4"	19.041099
"1490224"	524.7879995	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H+NH4"	19.041099
"407692"	2084.059018	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+Na"	22.989218
"768805"	3114.593918	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+Na"	22.989218
"1615809"	1053.524118	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Na"	22.989218
"325846"	1042.533147	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+H+Na"	23.996494
"719362"	1557.800597	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+H+Na"	23.996494
"1473184"	527.265697	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H+Na"	23.996494
"1063150"	351.846223333333	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2H+Na"	25.00377
"1268108"	1063.568386	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+CH3OH+H"	33.033486
"387777"	2100.032958	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+K"	38.963158
"749867"	3130.567858	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+K"	38.963158
"1551919"	1069.498058	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+K"	38.963158
"301448"	1050.520117	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+H+K"	39.970434
"693868"	1565.787567	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+H+K"	39.970434
"1449877"	535.252667	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H+K"	39.970434
"242852"	2103.103626	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+ACN+H"	42.033826
"1217747"	1072.568726	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+ACN+H"	42.033826
"1201633"	536.788001	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+ACN+2H"	43.041102
"198149"	2106.04096	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+2Na-H"	44.97116
"635157"	3136.57586	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+2Na-H"	44.97116
"1139760"	1075.50606	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2Na-H"	44.97116
"187675"	1053.524118	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+2Na"	45.978436
"621522"	1568.791568	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+2Na"	45.978436
"1129403"	538.256668	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2Na"	45.978436
"1412927"	359.173537333333	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H+2Na"	46.985712
"1440668"	1077.547646	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H+HCOOH"	47.012746
"231824"	1058.55714	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+3H2O+2H"	56.04448
"1518430"	1091.59969	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+IsoProp+H"	61.06479
"415928"	1061.511088	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+Na+K"	61.952376
"779840"	1576.778538	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+Na+K"	61.952376
"1677265"	546.243638	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Na+K"	61.952376
"259774"	2125.085568	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+ACN+Na"	64.015768
"1239044"	1094.550668	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+ACN+Na"	64.015768
"1721371"	1094.574193	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+NH4+HCOOH"	64.039293
"1190006"	366.500851333333	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+3Na"	68.967654
"1657711"	1099.529588	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Na+HCOOH"	68.994688
"163479"	2137.98884	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+2K-H"	76.91904
"604133"	3168.52374	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+2K-H"	76.91904
"1090833"	1107.45394	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2K-H"	76.91904
"144370"	1069.498058	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"2M+2K"	77.926316
"583201"	1584.765508	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"3M+2K"	77.926316
"1070993"	554.230608	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2K"	77.926316
"1109306"	1109.468492	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2K+H"	78.933592
"1347877"	1109.556107	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+DMSO+H"	79.021207
"1014220"	1113.595276	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2ACN+H"	83.060376
"1533439"	1114.588908	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+IsoProp+Na+H"	84.054008
"999888"	557.301276	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+2ACN+2H"	84.067652
"1591111"	1115.503528	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+K+HCOOH"	84.968628
"1421143"	1145.535038	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+H+CF3COOH"	115.000138
"1150340"	577.814551	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+3ACN+2H"	125.094202
"1699162"	1162.561585	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+NH4+CF3COOH"	132.026685
"1638826"	1167.51698	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+Na+CF3COOH"	136.98208
"1572410"	1183.49092	"C17469"	"Pseudoprotodioscin"	"C51H82O21"	"1030.5349"	"M+K+CF3COOH"	152.95602
"815780"	902.4875	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M"	0
"987123"	883.46911	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-H2O-H"	-19.01839
"76463"	600.651057333333	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M-3H"	-3.021828
"517119"	901.480224	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M-3H"	-3.021828
"893465"	299.821890666667	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-3H"	-3.021828
"13494"	901.480224	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M-2H"	-2.014552
"452329"	1352.723974	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M-2H"	-2.014552
"829402"	450.236474	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-2H"	-2.014552
"87573"	1803.967724	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M-H"	-1.007276
"528225"	2706.455224	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M-H"	-1.007276
"902746"	901.480224	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-H"	-1.007276
"50562"	1820.994271	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M-2H+NH4"	16.019271
"494499"	2723.481771	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M-2H+NH4"	16.019271
"875581"	918.506771	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-2H+NH4"	16.019271
"41295"	1825.949666	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M-2H+Na"	20.974666
"482678"	2728.437166	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M-2H+Na"	20.974666
"857563"	923.462166	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-2H+Na"	20.974666
"1627096"	923.462166	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Na-2H"	20.974666
"104720"	919.468563	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M-H+Cl"	33.962126
"543184"	1370.712313	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M-H+Cl"	33.962126
"939617"	468.224813	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-H+Cl"	33.962126
"278178"	1839.944402	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+Cl"	34.969402
"670598"	2742.431902	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+Cl"	34.969402
"1281179"	937.456902	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Cl"	34.969402
"27015"	1841.923606	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M-2H+K"	36.948606
"465478"	2744.411106	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M-2H+K"	36.948606
"841824"	939.436106	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-2H+K"	36.948606
"1561666"	939.436106	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+K-2H"	36.948606
"945543"	947.485694	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-H+HCOOH"	44.998194
"375794"	1849.973201	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+HCOOH-H"	44.998201
"354574"	1863.988851	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+Hac-H"	59.013851
"1497938"	961.501351	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Hac-H"	59.013851
"968761"	969.467651	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-H+NaCOOH"	66.980151
"121679"	937.456902	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+2Cl"	69.938804
"556136"	1388.700652	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+2Cl"	69.938804
"1024938"	486.213152	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2Cl"	69.938804
"1247429"	981.406385	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Br"	78.918885
"1307325"	983.462372	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Cl+HCOOH"	80.974872
"1325552"	1005.444329	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Cl+NaCOOH"	102.956829
"918800"	1015.473086	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M-H+CF3COOH"	112.985586
"1294411"	1051.449764	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Cl+CF3COOH"	148.962264
"1374761"	867.474824	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H-2H2O"	-35.012676
"1396636"	885.4848	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H-H2O"	-17.0027
"297420"	1805.982276	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+H"	1.007276
"690697"	2708.469776	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+H"	1.007276
"1364369"	903.494776	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H"	1.007276
"137987"	903.494776	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+2H"	2.014552
"580911"	1354.738526	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+2H"	2.014552
"1046345"	452.251026	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2H"	2.014552
"216070"	602.665609333333	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+3H"	3.021828
"654901"	903.494776	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+3H"	3.021828
"1171932"	301.836442666667	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+3H"	3.021828
"437393"	1823.008823	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+NH4"	18.033823
"796201"	2725.496323	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+NH4"	18.033823
"1694356"	920.521323	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+NH4"	18.033823
"342636"	912.0080495	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+H+NH4"	19.041099
"737611"	1363.2517995	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+H+NH4"	19.041099
"1491916"	460.7642995	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H+NH4"	19.041099
"404639"	1827.964218	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+Na"	22.989218
"766729"	2730.451718	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+Na"	22.989218
"1613735"	925.476718	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Na"	22.989218
"323771"	914.485747	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+H+Na"	23.996494
"718381"	1365.729497	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+H+Na"	23.996494
"1474389"	463.241997	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H+Na"	23.996494
"1063260"	309.163756666667	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2H+Na"	25.00377
"1267125"	935.520986	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+CH3OH+H"	33.033486
"388981"	1843.938158	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+K"	38.963158
"751071"	2746.425658	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+K"	38.963158
"1549844"	941.450658	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+K"	38.963158
"300465"	922.472717	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+H+K"	39.970434
"692034"	1373.716467	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+H+K"	39.970434
"1454362"	471.228967	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H+K"	39.970434
"242962"	1847.008826	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+ACN+H"	42.033826
"1218951"	944.521326	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+ACN+H"	42.033826
"1200647"	472.764301	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+ACN+2H"	43.041102
"198985"	1849.94616	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+2Na-H"	44.97116
"631988"	2752.43366	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+2Na-H"	44.97116
"1138777"	947.45866	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2Na-H"	44.97116
"187543"	925.476718	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+2Na"	45.978436
"624912"	1376.720468	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+2Na"	45.978436
"1129148"	474.232968	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2Na"	45.978436
"1414020"	316.491070666667	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H+2Na"	46.985712
"1440778"	949.500246	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H+HCOOH"	47.012746
"231205"	930.50974	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+3H2O+2H"	56.04448
"1520727"	963.55229	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+IsoProp+H"	61.06479
"417132"	933.463688	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+Na+K"	61.952376
"779221"	1384.707438	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+Na+K"	61.952376
"1678833"	482.219938	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Na+K"	61.952376
"263165"	1868.990768	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+ACN+Na"	64.015768
"1238061"	966.503268	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+ACN+Na"	64.015768
"1725855"	966.526793	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+NH4+HCOOH"	64.039293
"1191209"	323.818384666667	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+3Na"	68.967654
"1657821"	971.482188	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Na+HCOOH"	68.994688
"165776"	1881.89404	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+2K-H"	76.91904
"604243"	2784.38154	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+2K-H"	76.91904
"1090943"	979.40654	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2K-H"	76.91904
"142658"	941.450658	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"2M+2K"	77.926316
"587322"	1392.694408	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"3M+2K"	77.926316
"1078394"	490.206908	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2K"	77.926316
"1109416"	981.421092	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2K+H"	78.933592
"1345801"	981.508707	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+DMSO+H"	79.021207
"1013237"	985.547876	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2ACN+H"	83.060376
"1533549"	986.541508	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+IsoProp+Na+H"	84.054008
"1002187"	493.277576	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+2ACN+2H"	84.067652
"1594502"	987.456128	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+K+HCOOH"	84.968628
"1419067"	1017.487638	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+H+CF3COOH"	115.000138
"1150450"	513.790851	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+3ACN+2H"	125.094202
"1699272"	1034.514185	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+NH4+CF3COOH"	132.026685
"1645497"	1039.46958	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+Na+CF3COOH"	136.98208
"1572763"	1055.44352	"C17470"	"Asparasaponin II"	"C45H74O18"	"902.4875"	"M+K+CF3COOH"	152.95602
"816378"	326.079	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M"	0
"989420"	307.06061	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-H2O-H"	-19.01839
"77545"	216.378724	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M-3H"	-3.021828
"518248"	325.071724	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M-3H"	-3.021828
"895152"	107.685724	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-3H"	-3.021828
"15524"	325.071724	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M-2H"	-2.014552
"453657"	488.111224	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M-2H"	-2.014552
"830607"	162.032224	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-2H"	-2.014552
"90964"	651.150724	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M-H"	-1.007276
"531252"	977.229724	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M-H"	-1.007276
"905774"	325.071724	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-H"	-1.007276
"55045"	668.177271	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M-2H+NH4"	16.019271
"497526"	994.256271	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M-2H+NH4"	16.019271
"874965"	342.098271	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-2H+NH4"	16.019271
"44323"	673.132666	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M-2H+Na"	20.974666
"485340"	999.211666	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M-2H+Na"	20.974666
"860226"	347.053666	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-2H+Na"	20.974666
"1629758"	347.053666	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Na-2H"	20.974666
"106653"	343.060063	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M-H+Cl"	33.962126
"546212"	506.099563	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M-H+Cl"	33.962126
"940093"	180.020563	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-H+Cl"	33.962126
"280474"	687.127402	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+Cl"	34.969402
"674111"	1013.206402	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+Cl"	34.969402
"1285665"	361.048402	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Cl"	34.969402
"27126"	689.106606	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M-2H+K"	36.948606
"465588"	1015.185606	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M-2H+K"	36.948606
"841206"	363.027606	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-2H+K"	36.948606
"1561776"	363.027606	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+K-2H"	36.948606
"954769"	371.077194	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-H+HCOOH"	44.998194
"369705"	697.156201	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+HCOOH-H"	44.998201
"358330"	711.171851	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+Hac-H"	59.013851
"1503882"	385.092851	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Hac-H"	59.013851
"971060"	393.059151	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-H+NaCOOH"	66.980151
"119969"	361.048402	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+2Cl"	69.938804
"557341"	524.087902	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+2Cl"	69.938804
"1023588"	198.008902	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2Cl"	69.938804
"1246809"	404.997885	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Br"	78.918885
"1309621"	407.053872	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Cl+HCOOH"	80.974872
"1325664"	429.035829	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Cl+NaCOOH"	102.956829
"918908"	439.064586	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M-H+CF3COOH"	112.985586
"1293426"	475.041264	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Cl+CF3COOH"	148.962264
"1374871"	291.066324	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H-2H2O"	-35.012676
"1397928"	309.0763	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H-H2O"	-17.0027
"295343"	653.165276	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+H"	1.007276
"690884"	979.244276	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+H"	1.007276
"1366675"	327.086276	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H"	1.007276
"140282"	327.086276	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+2H"	2.014552
"581145"	490.125776	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+2H"	2.014552
"1048642"	164.046776	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2H"	2.014552
"218731"	218.393276	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+3H"	3.021828
"657198"	327.086276	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+3H"	3.021828
"1172040"	109.700276	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+3H"	3.021828
"434223"	670.191823	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+NH4"	18.033823
"795218"	996.270823	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+NH4"	18.033823
"1693737"	344.112823	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+NH4"	18.033823
"342014"	335.5995495	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+H+NH4"	19.041099
"736990"	498.6390495	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+H+NH4"	19.041099
"1492268"	172.5600495	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H+NH4"	19.041099
"404750"	675.147218	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+Na"	22.989218
"767936"	1001.226218	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+Na"	22.989218
"1617006"	349.068218	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Na"	22.989218
"327893"	338.077247	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+H+Na"	23.996494
"720678"	501.116747	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+H+Na"	23.996494
"1472312"	175.037747	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H+Na"	23.996494
"1066651"	117.02759	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2H+Na"	25.00377
"1267236"	359.112486	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+CH3OH+H"	33.033486
"389092"	691.121158	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+K"	38.963158
"751181"	1017.200158	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+K"	38.963158
"1549954"	365.042158	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+K"	38.963158
"304948"	346.064217	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+H+K"	39.970434
"693116"	509.103717	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+H+K"	39.970434
"1450097"	183.024717	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H+K"	39.970434
"243072"	694.191826	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+ACN+H"	42.033826
"1217968"	368.112826	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+ACN+H"	42.033826
"1206228"	184.560051	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+ACN+2H"	43.041102
"195818"	697.12916	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+2Na-H"	44.97116
"632464"	1023.20816	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+2Na-H"	44.97116
"1137795"	371.05016	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2Na-H"	44.97116
"184368"	349.068218	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+2Na"	45.978436
"616274"	512.107718	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+2Na"	45.978436
"1125247"	186.028718	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2Na"	45.978436
"1413151"	124.354904	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H+2Na"	46.985712
"1437607"	373.091746	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H+HCOOH"	47.012746
"232408"	354.10124	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+3H2O+2H"	56.04448
"1518650"	387.14379	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+IsoProp+H"	61.06479
"417243"	357.055188	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+Na+K"	61.952376
"779331"	520.094688	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+Na+K"	61.952376
"1676392"	194.015688	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Na+K"	61.952376
"263275"	716.173768	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+ACN+Na"	64.015768
"1237807"	390.094768	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+ACN+Na"	64.015768
"1721591"	390.118293	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+NH4+HCOOH"	64.039293
"1189132"	131.682218	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+3Na"	68.967654
"1657931"	395.073688	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Na+HCOOH"	68.994688
"166980"	729.07704	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+2K-H"	76.91904
"606543"	1055.15604	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+2K-H"	76.91904
"1089957"	402.99804	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2K-H"	76.91904
"144590"	365.042158	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"2M+2K"	77.926316
"585245"	528.081658	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"3M+2K"	77.926316
"1077411"	202.002658	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2K"	77.926316
"1104062"	405.012592	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2K+H"	78.933592
"1343726"	405.100207	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+DMSO+H"	79.021207
"1016628"	409.139376	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2ACN+H"	83.060376
"1534753"	410.133008	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+IsoProp+Na+H"	84.054008
"1001570"	205.073326	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+2ACN+2H"	84.067652
"1595707"	411.047628	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+K+HCOOH"	84.968628
"1424643"	441.079138	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+H+CF3COOH"	115.000138
"1150559"	225.586601	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+3ACN+2H"	125.094202
"1700109"	458.105685	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+NH4+CF3COOH"	132.026685
"1646700"	463.06108	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+Na+CF3COOH"	136.98208
"1576883"	479.03502	"C17471"	"Ophiopogonone A"	"C18H14O6"	"326.079"	"M+K+CF3COOH"	152.95602
"816974"	312.0998	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M"	0
"985156"	293.08141	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-H2O-H"	-19.01839
"77775"	207.059257333333	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M-3H"	-3.021828
"518296"	311.092524	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M-3H"	-3.021828
"895137"	103.025990666667	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-3H"	-3.021828
"15702"	311.092524	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M-2H"	-2.014552
"454372"	467.142424	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M-2H"	-2.014552
"831811"	155.042624	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-2H"	-2.014552
"92533"	623.192324	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M-H"	-1.007276
"531725"	935.292124	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M-H"	-1.007276
"906978"	311.092524	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-H"	-1.007276
"56249"	640.218871	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M-2H+NH4"	16.019271
"496907"	952.318671	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M-2H+NH4"	16.019271
"877624"	328.119071	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-2H+NH4"	16.019271
"44796"	645.174266	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M-2H+Na"	20.974666
"485449"	957.274066	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M-2H+Na"	20.974666
"862158"	333.074466	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-2H+Na"	20.974666
"1630597"	333.074466	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Na-2H"	20.974666
"107125"	329.080863	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M-H+Cl"	33.962126
"547415"	485.130763	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M-H+Cl"	33.962126
"939108"	173.030963	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-H+Cl"	33.962126
"281193"	659.169002	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+Cl"	34.969402
"674466"	971.268802	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+Cl"	34.969402
"1286866"	347.069202	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Cl"	34.969402
"28329"	661.148206	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M-2H+K"	36.948606
"467891"	973.248006	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M-2H+K"	36.948606
"842410"	349.048406	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-2H+K"	36.948606
"1562979"	349.048406	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+K-2H"	36.948606
"953785"	357.097994	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-H+HCOOH"	44.998194
"366534"	669.197801	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+HCOOH-H"	44.998201
"359899"	683.213451	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+Hac-H"	59.013851
"1507763"	371.113651	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Hac-H"	59.013851
"971900"	379.079951	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-H+NaCOOH"	66.980151
"121900"	347.069202	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+2Cl"	69.938804
"557451"	503.119102	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+2Cl"	69.938804
"1024793"	191.019302	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2Cl"	69.938804
"1245828"	391.018685	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Br"	78.918885
"1309369"	393.074672	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Cl+HCOOH"	80.974872
"1326867"	415.056629	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Cl+NaCOOH"	102.956829
"920112"	425.085386	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M-H+CF3COOH"	112.985586
"1292444"	461.062064	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Cl+CF3COOH"	148.962264
"1376074"	277.087124	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H-2H2O"	-35.012676
"1398278"	295.0971	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H-H2O"	-17.0027
"296547"	625.206876	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+H"	1.007276
"691119"	937.306676	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+H"	1.007276
"1366701"	313.107076	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H"	1.007276
"140392"	313.107076	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+2H"	2.014552
"581049"	469.156976	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+2H"	2.014552
"1047659"	157.057176	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2H"	2.014552
"218720"	209.073809333333	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+3H"	3.021828
"658037"	313.107076	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+3H"	3.021828
"1172152"	105.040542666667	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+3H"	3.021828
"432144"	642.233423	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+NH4"	18.033823
"795328"	954.333223	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+NH4"	18.033823
"1694213"	330.133623	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+NH4"	18.033823
"341032"	321.6203495	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+H+NH4"	19.041099
"736736"	477.6702495	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+H+NH4"	19.041099
"1492729"	165.5704495	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H+NH4"	19.041099
"401579"	647.188818	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+Na"	22.989218
"768774"	959.288618	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+Na"	22.989218
"1615051"	335.089018	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Na"	22.989218
"327273"	324.098047	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+H+Na"	23.996494
"721154"	480.147947	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+H+Na"	23.996494
"1474975"	168.048147	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H+Na"	23.996494
"1065667"	112.367856666667	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2H+Na"	25.00377
"1272085"	345.133286	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+CH3OH+H"	33.033486
"391026"	663.162758	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+K"	38.963158
"752752"	975.262558	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+K"	38.963158
"1552251"	351.062958	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+K"	38.963158
"301778"	332.085017	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+H+K"	39.970434
"698573"	488.134917	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+H+K"	39.970434
"1451300"	176.035117	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H+K"	39.970434
"245369"	666.233426	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+ACN+H"	42.033826
"1220265"	354.133626	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+ACN+H"	42.033826
"1208161"	177.570451	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+ACN+2H"	43.041102
"201760"	669.17076	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+2Na-H"	44.97116
"636584"	981.27056	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+2Na-H"	44.97116
"1137173"	357.07096	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2Na-H"	44.97116
"179010"	335.089018	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+2Na"	45.978436
"625132"	491.138918	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+2Na"	45.978436
"1130951"	179.039118	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2Na"	45.978436
"1412777"	119.695170666667	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H+2Na"	46.985712
"1440997"	359.112546	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H+HCOOH"	47.012746
"234345"	340.12204	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+3H2O+2H"	56.04448
"1521680"	373.16459	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+IsoProp+H"	61.06479
"420270"	343.075988	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+Na+K"	61.952376
"779442"	499.125888	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+Na+K"	61.952376
"1676502"	187.026088	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Na+K"	61.952376
"263021"	688.215368	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+ACN+Na"	64.015768
"1237553"	376.115568	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+ACN+Na"	64.015768
"1722794"	376.139093	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+NH4+HCOOH"	64.039293
"1189241"	127.022484666667	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+3Na"	68.967654
"1654763"	381.094488	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Na+HCOOH"	68.994688
"164903"	701.11864	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+2K-H"	76.91904
"601185"	1013.21844	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+2K-H"	76.91904
"1086792"	389.01884	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2K-H"	76.91904
"142389"	351.062958	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"2M+2K"	77.926316
"585356"	507.112858	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"3M+2K"	77.926316
"1077521"	195.013058	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2K"	77.926316
"1107451"	391.033392	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2K+H"	78.933592
"1346022"	391.121007	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+DMSO+H"	79.021207
"1016737"	395.160176	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2ACN+H"	83.060376
"1533768"	396.153808	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+IsoProp+Na+H"	84.054008
"1002407"	198.083726	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+2ACN+2H"	84.067652
"1596909"	397.068428	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+K+HCOOH"	84.968628
"1422566"	427.099938	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+H+CF3COOH"	115.000138
"1149576"	218.597001	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+3ACN+2H"	125.094202
"1698761"	444.126485	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+NH4+CF3COOH"	132.026685
"1645717"	449.08188	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+Na+CF3COOH"	136.98208
"1576993"	465.05582	"C17472"	"Ophiopogonone B"	"C18H16O5"	"312.0998"	"M+K+CF3COOH"	152.95602
"816981"	340.0947	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M"	0
"989201"	321.07631	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-H2O-H"	-19.01839
"76791"	225.722524	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M-3H"	-3.021828
"517936"	339.087424	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M-3H"	-3.021828
"895129"	112.357624	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-3H"	-3.021828
"11270"	339.087424	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M-2H"	-2.014552
"454478"	509.134774	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M-2H"	-2.014552
"831553"	169.040074	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-2H"	-2.014552
"91546"	679.182124	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M-H"	-1.007276
"531472"	1019.276824	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M-H"	-1.007276
"908909"	339.087424	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-H"	-1.007276
"57452"	696.208671	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M-2H+NH4"	16.019271
"501756"	1036.303371	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M-2H+NH4"	16.019271
"879072"	356.113971	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-2H+NH4"	16.019271
"46488"	701.164066	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M-2H+Na"	20.974666
"486779"	1041.258766	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M-2H+Na"	20.974666
"863360"	361.069366	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-2H+Na"	20.974666
"1632893"	361.069366	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Na-2H"	20.974666
"109421"	357.075763	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M-H+Cl"	33.962126
"547889"	527.123113	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M-H+Cl"	33.962126
"940308"	187.028413	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-H+Cl"	33.962126
"282357"	715.158802	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+Cl"	34.969402
"675593"	1055.253502	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+Cl"	34.969402
"1287102"	375.064102	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Cl"	34.969402
"30264"	717.138006	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M-2H+K"	36.948606
"469095"	1057.232706	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M-2H+K"	36.948606
"844707"	377.043306	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-2H+K"	36.948606
"1562725"	377.043306	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+K-2H"	36.948606
"958153"	385.092894	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-H+HCOOH"	44.998194
"372841"	725.187601	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+HCOOH-H"	44.998201
"358916"	739.203251	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+Hac-H"	59.013851
"1508237"	399.108551	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Hac-H"	59.013851
"973712"	407.074851	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-H+NaCOOH"	66.980151
"122375"	375.064102	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+2Cl"	69.938804
"560112"	545.111452	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+2Cl"	69.938804
"1028547"	205.016752	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2Cl"	69.938804
"1253227"	419.013585	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Br"	78.918885
"1308386"	421.069572	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Cl+HCOOH"	80.974872
"1329164"	443.051529	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Cl+NaCOOH"	102.956829
"918036"	453.080286	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M-H+CF3COOH"	112.985586
"1292554"	489.056964	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Cl+CF3COOH"	148.962264
"1380925"	305.082024	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H-2H2O"	-35.012676
"1397577"	323.092	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H-H2O"	-17.0027
"296657"	681.196676	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+H"	1.007276
"691179"	1021.291376	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+H"	1.007276
"1366767"	341.101976	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H"	1.007276
"140381"	341.101976	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+2H"	2.014552
"581355"	511.149326	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+2H"	2.014552
"1049956"	171.054626	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2H"	2.014552
"215671"	227.737076	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+3H"	3.021828
"659612"	341.101976	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+3H"	3.021828
"1176276"	114.372176	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+3H"	3.021828
"438455"	698.223223	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+NH4"	18.033823
"798719"	1038.317923	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+NH4"	18.033823
"1691770"	358.128523	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+NH4"	18.033823
"344065"	349.6152495	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+H+NH4"	19.041099
"737782"	519.6625995	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+H+NH4"	19.041099
"1489940"	179.5678995	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H+NH4"	19.041099
"408093"	703.178618	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+Na"	22.989218
"765970"	1043.273318	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+Na"	22.989218
"1614069"	363.083918	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Na"	22.989218
"329939"	352.092947	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+H+Na"	23.996494
"719805"	522.140297	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+H+Na"	23.996494
"1476181"	182.045597	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H+Na"	23.996494
"1063592"	121.69949	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2H+Na"	25.00377
"1271103"	373.128186	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+CH3OH+H"	33.033486
"389313"	719.152558	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+K"	38.963158
"753226"	1059.247258	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+K"	38.963158
"1550173"	379.057858	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+K"	38.963158
"301887"	360.079917	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+H+K"	39.970434
"699774"	530.127267	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+H+K"	39.970434
"1452503"	190.032567	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H+K"	39.970434
"249126"	722.223226	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+ACN+H"	42.033826
"1224387"	382.128526	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+ACN+H"	42.033826
"1207176"	191.567901	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+ACN+2H"	43.041102
"197131"	725.16056	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+2Na-H"	44.97116
"638876"	1065.25526	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+2Na-H"	44.97116
"1138377"	385.06586	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2Na-H"	44.97116
"183486"	363.083918	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+2Na"	45.978436
"618681"	533.131268	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+2Na"	45.978436
"1130209"	193.036568	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2Na"	45.978436
"1413503"	129.026804	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H+2Na"	46.985712
"1445125"	387.107446	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H+HCOOH"	47.012746
"235555"	368.11694	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+3H2O+2H"	56.04448
"1522518"	401.15949	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+IsoProp+H"	61.06479
"422446"	371.070888	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+Na+K"	61.952376
"780645"	541.118238	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+Na+K"	61.952376
"1676976"	201.023538	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Na+K"	61.952376
"265442"	744.205168	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+ACN+Na"	64.015768
"1239123"	404.110468	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+ACN+Na"	64.015768
"1725458"	404.133993	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+NH4+HCOOH"	64.039293
"1189352"	136.354118	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+3Na"	68.967654
"1654508"	409.089388	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Na+HCOOH"	68.994688
"163921"	757.10844	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+2K-H"	76.91904
"602390"	1097.20314	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+2K-H"	76.91904
"1087266"	417.01374	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2K-H"	76.91904
"143352"	379.057858	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"2M+2K"	77.926316
"583280"	549.105208	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"3M+2K"	77.926316
"1072163"	209.010508	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2K"	77.926316
"1105372"	419.028292	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2K+H"	78.933592
"1340668"	419.115907	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+DMSO+H"	79.021207
"1014664"	423.155076	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2ACN+H"	83.060376
"1534976"	424.148708	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+IsoProp+Na+H"	84.054008
"1000330"	212.081176	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+2ACN+2H"	84.067652
"1597020"	425.063328	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+K+HCOOH"	84.968628
"1421586"	455.094838	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+H+CF3COOH"	115.000138
"1154060"	232.594451	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+3ACN+2H"	125.094202
"1702517"	472.121385	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+NH4+CF3COOH"	132.026685
"1644734"	477.07678	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+Na+CF3COOH"	136.98208
"1576010"	493.05072	"C17473"	"Methylophiopogonone A"	"C19H16O6"	"340.0947"	"M+K+CF3COOH"	152.95602
"813668"	326.1154	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M"	0
"988294"	307.09701	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-H2O-H"	-19.01839
"68152"	216.402990666667	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M-3H"	-3.021828
"512086"	325.108124	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M-3H"	-3.021828
"888793"	107.697857333333	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-3H"	-3.021828
"7369"	325.108124	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M-2H"	-2.014552
"452400"	488.165824	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M-2H"	-2.014552
"828015"	162.050424	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-2H"	-2.014552
"91288"	651.223524	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M-H"	-1.007276
"530853"	977.338924	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M-H"	-1.007276
"907925"	325.108124	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-H"	-1.007276
"57562"	668.250071	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M-2H+NH4"	16.019271
"501624"	994.365471	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M-2H+NH4"	16.019271
"878818"	342.134671	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-2H+NH4"	16.019271
"46356"	673.205466	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M-2H+Na"	20.974666
"487092"	999.320866	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M-2H+Na"	20.974666
"863106"	347.090066	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-2H+Na"	20.974666
"1631910"	347.090066	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Na-2H"	20.974666
"104065"	343.096463	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M-H+Cl"	33.962126
"546542"	506.154163	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M-H+Cl"	33.962126
"934953"	180.038763	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-H+Cl"	33.962126
"282734"	687.200202	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+Cl"	34.969402
"675541"	1013.315602	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+Cl"	34.969402
"1288184"	361.084802	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Cl"	34.969402
"30862"	689.179406	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M-2H+K"	36.948606
"470422"	1015.294806	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M-2H+K"	36.948606
"844817"	363.064006	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-2H+K"	36.948606
"1560649"	363.064006	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+K-2H"	36.948606
"957654"	371.113594	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-H+HCOOH"	44.998194
"373680"	697.229001	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+HCOOH-H"	44.998201
"360849"	711.244651	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+Hac-H"	59.013851
"1507493"	385.129251	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Hac-H"	59.013851
"973580"	393.095551	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-H+NaCOOH"	66.980151
"124672"	361.084802	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+2Cl"	69.938804
"556578"	524.142502	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+2Cl"	69.938804
"1027563"	198.027102	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2Cl"	69.938804
"1248233"	405.034285	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Br"	78.918885
"1305214"	407.090272	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Cl+HCOOH"	80.974872
"1324899"	429.072229	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Cl+NaCOOH"	102.956829
"914865"	439.100986	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M-H+CF3COOH"	112.985586
"1291570"	475.077664	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Cl+CF3COOH"	148.962264
"1377389"	291.102724	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H-2H2O"	-35.012676
"1396954"	309.1127	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H-H2O"	-17.0027
"298228"	653.238076	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+H"	1.007276
"690650"	979.353476	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+H"	1.007276
"1366272"	327.122676	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H"	1.007276
"140856"	327.122676	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+2H"	2.014552
"581030"	490.180376	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+2H"	2.014552
"1051648"	164.064976	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2H"	2.014552
"216874"	218.417542666667	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+3H"	3.021828
"658265"	327.122676	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+3H"	3.021828
"1176872"	109.712409333333	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+3H"	3.021828
"436742"	670.264623	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+NH4"	18.033823
"797736"	996.380023	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+NH4"	18.033823
"1691880"	344.149223	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+NH4"	18.033823
"343082"	335.6359495	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+H+NH4"	19.041099
"737082"	498.6936495	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+H+NH4"	19.041099
"1490778"	172.5782495	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H+NH4"	19.041099
"407393"	675.220018	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+Na"	22.989218
"760613"	1001.335418	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+Na"	22.989218
"1611993"	349.104618	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Na"	22.989218
"327130"	338.113647	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+H+Na"	23.996494
"715542"	501.171347	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+H+Na"	23.996494
"1475560"	175.055947	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H+Na"	23.996494
"1063702"	117.039723333333	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2H+Na"	25.00377
"1271213"	359.148886	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+CH3OH+H"	33.033486
"389423"	691.193958	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+K"	38.963158
"752606"	1017.309358	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+K"	38.963158
"1549190"	365.078558	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+K"	38.963158
"306370"	346.100617	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+H+K"	39.970434
"698791"	509.158317	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+H+K"	39.970434
"1454800"	183.042917	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H+K"	39.970434
"250330"	694.264626	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+ACN+H"	42.033826
"1224860"	368.149226	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+ACN+H"	42.033826
"1208382"	184.578251	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+ACN+2H"	43.041102
"199427"	697.20196	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+2Na-H"	44.97116
"638621"	1023.31736	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+2Na-H"	44.97116
"1142493"	371.08656	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2Na-H"	44.97116
"182503"	349.104618	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+2Na"	45.978436
"618788"	512.162318	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+2Na"	45.978436
"1130971"	186.046918	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2Na"	45.978436
"1413807"	124.367037333333	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H+2Na"	46.985712
"1440125"	373.128146	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H+HCOOH"	47.012746
"235057"	354.13764	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+3H2O+2H"	56.04448
"1523883"	387.18019	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+IsoProp+H"	61.06479
"422799"	357.091588	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+Na+K"	61.952376
"779662"	520.149288	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+Na+K"	61.952376
"1677086"	194.033888	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Na+K"	61.952376
"263607"	716.246568	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+ACN+Na"	64.015768
"1239113"	390.131168	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+ACN+Na"	64.015768
"1725568"	390.154693	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+NH4+HCOOH"	64.039293
"1186183"	131.694351333333	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+3Na"	68.967654
"1659359"	395.110088	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Na+HCOOH"	68.994688
"161845"	729.14984	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+2K-H"	76.91904
"601407"	1055.26524	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+2K-H"	76.91904
"1085554"	403.03444	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2K-H"	76.91904
"143827"	365.078558	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"2M+2K"	77.926316
"583389"	528.136258	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"3M+2K"	77.926316
"1073369"	202.020858	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2K"	77.926316
"1105482"	405.048992	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2K+H"	78.933592
"1339684"	405.136607	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+DMSO+H"	79.021207
"1014774"	409.175776	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2ACN+H"	83.060376
"1535085"	410.169408	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+IsoProp+Na+H"	84.054008
"999347"	205.091526	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+2ACN+2H"	84.067652
"1597130"	411.084028	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+K+HCOOH"	84.968628
"1422789"	441.115538	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+H+CF3COOH"	115.000138
"1154170"	225.604801	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+3ACN+2H"	125.094202
"1704814"	458.142085	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+NH4+CF3COOH"	132.026685
"1645937"	463.09748	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+Na+CF3COOH"	136.98208
"1576120"	479.07142	"C17474"	"Methylophiopogonone B"	"C19H18O5"	"326.1154"	"M+K+CF3COOH"	152.95602
"814142"	328.0947	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M"	0
"985487"	309.07631	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-H2O-H"	-19.01839
"74824"	217.722524	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M-3H"	-3.021828
"515476"	327.087424	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M-3H"	-3.021828
"889996"	108.357624	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-3H"	-3.021828
"9667"	327.087424	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M-2H"	-2.014552
"453972"	491.134774	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M-2H"	-2.014552
"828125"	163.040074	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-2H"	-2.014552
"92012"	655.182124	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M-H"	-1.007276
"531328"	983.276824	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M-H"	-1.007276
"909373"	327.087424	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-H"	-1.007276
"58764"	672.208671	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M-2H+NH4"	16.019271
"501613"	1000.303371	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M-2H+NH4"	16.019271
"878929"	344.113971	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-2H+NH4"	16.019271
"45859"	677.164066	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M-2H+Na"	20.974666
"486027"	1005.258766	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M-2H+Na"	20.974666
"863098"	349.069366	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-2H+Na"	20.974666
"1632389"	349.069366	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Na-2H"	20.974666
"105268"	345.075763	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M-H+Cl"	33.962126
"543735"	509.123113	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M-H+Cl"	33.962126
"937250"	181.028413	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-H+Cl"	33.962126
"274714"	691.158802	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+Cl"	34.969402
"672604"	1019.253502	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+Cl"	34.969402
"1287566"	363.064102	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Cl"	34.969402
"30730"	693.138006	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M-2H+K"	36.948606
"470533"	1021.232706	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M-2H+K"	36.948606
"844927"	365.043306	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-2H+K"	36.948606
"1561853"	365.043306	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+K-2H"	36.948606
"949744"	373.092894	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-H+HCOOH"	44.998194
"373789"	701.187601	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+HCOOH-H"	44.998201
"357678"	715.203251	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+Hac-H"	59.013851
"1500677"	387.108551	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Hac-H"	59.013851
"972475"	395.074851	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-H+NaCOOH"	66.980151
"118949"	363.064102	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+2Cl"	69.938804
"556688"	527.111452	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+2Cl"	69.938804
"1025487"	199.016752	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2Cl"	69.938804
"1247251"	407.013585	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Br"	78.918885
"1305691"	409.069572	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Cl+HCOOH"	80.974872
"1321729"	431.051529	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Cl+NaCOOH"	102.956829
"917163"	441.080286	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M-H+CF3COOH"	112.985586
"1290587"	477.056964	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Cl+CF3COOH"	148.962264
"1376405"	293.082024	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H-2H2O"	-35.012676
"1397795"	311.092	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H-H2O"	-17.0027
"297974"	657.196676	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+H"	1.007276
"690518"	985.291376	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+H"	1.007276
"1366908"	329.101976	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H"	1.007276
"140605"	329.101976	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+2H"	2.014552
"580776"	493.149326	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+2H"	2.014552
"1052003"	165.054626	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2H"	2.014552
"216984"	219.737076	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+3H"	3.021828
"658375"	329.101976	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+3H"	3.021828
"1176253"	110.372176	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+3H"	3.021828
"437217"	674.223223	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+NH4"	18.033823
"795659"	1002.317923	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+NH4"	18.033823
"1688709"	346.128523	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+NH4"	18.033823
"344406"	337.6152495	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+H+NH4"	19.041099
"736584"	501.6625995	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+H+NH4"	19.041099
"1491131"	173.5678995	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H+NH4"	19.041099
"406166"	679.178618	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+Na"	22.989218
"764730"	1007.273318	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+Na"	22.989218
"1609914"	351.083918	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Na"	22.989218
"326510"	340.092947	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+H+Na"	23.996494
"717836"	504.140297	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+H+Na"	23.996494
"1471660"	176.045597	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H+Na"	23.996494
"1064905"	117.69949	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2H+Na"	25.00377
"1270716"	361.128186	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+CH3OH+H"	33.033486
"391607"	695.152558	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+K"	38.963158
"752720"	1023.247258	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+K"	38.963158
"1551487"	367.057858	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+K"	38.963158
"310853"	348.079917	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+H+K"	39.970434
"703276"	512.127267	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+H+K"	39.970434
"1458190"	184.032567	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H+K"	39.970434
"251174"	698.223226	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+ACN+H"	42.033826
"1225609"	370.128526	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+ACN+H"	42.033826
"1205209"	185.567901	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+ACN+2H"	43.041102
"204257"	701.16056	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+2Na-H"	44.97116
"638003"	1029.25526	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+2Na-H"	44.97116
"1140415"	373.06586	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2Na-H"	44.97116
"181883"	351.083918	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+2Na"	45.978436
"622171"	515.131268	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+2Na"	45.978436
"1131042"	187.036568	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2Na"	45.978436
"1412506"	125.026804	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H+2Na"	46.985712
"1442800"	375.107446	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H+HCOOH"	47.012746
"226656"	356.11694	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+3H2O+2H"	56.04448
"1516906"	389.15949	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+IsoProp+H"	61.06479
"422059"	359.070888	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+Na+K"	61.952376
"783427"	523.118238	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+Na+K"	61.952376
"1679383"	195.023538	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Na+K"	61.952376
"265545"	720.205168	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+ACN+Na"	64.015768
"1236794"	392.110468	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+ACN+Na"	64.015768
"1724586"	392.133993	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+NH4+HCOOH"	64.039293
"1187023"	132.354118	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+3Na"	68.967654
"1654366"	397.089388	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Na+HCOOH"	68.994688
"161956"	733.10844	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+2K-H"	76.91904
"600424"	1061.20314	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+2K-H"	76.91904
"1086394"	405.01374	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2K-H"	76.91904
"142480"	367.057858	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"2M+2K"	77.926316
"583502"	531.105208	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"3M+2K"	77.926316
"1070200"	203.010508	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2K"	77.926316
"1103409"	407.028292	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2K+H"	78.933592
"1341982"	407.115907	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+DMSO+H"	79.021207
"1013791"	411.155076	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2ACN+H"	83.060376
"1533739"	412.148708	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+IsoProp+Na+H"	84.054008
"998363"	206.081176	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+2ACN+2H"	84.067652
"1596148"	413.063328	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+K+HCOOH"	84.968628
"1423994"	443.094838	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+H+CF3COOH"	115.000138
"1156468"	226.594451	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+3ACN+2H"	125.094202
"1704924"	460.121385	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+NH4+CF3COOH"	132.026685
"1646047"	465.07678	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+Na+CF3COOH"	136.98208
"1578418"	481.05072	"C17475"	"Ophiopogonanone A"	"C18H16O6"	"328.0947"	"M+K+CF3COOH"	152.95602
"814981"	554.1999	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M"	0
"988514"	535.18151	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-H2O-H"	-19.01839
"75663"	368.459324	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M-3H"	-3.021828
"515586"	553.192624	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M-3H"	-3.021828
"892293"	183.726024	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-3H"	-3.021828
"8684"	553.192624	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M-2H"	-2.014552
"453351"	830.292574	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M-2H"	-2.014552
"832209"	276.092674	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-2H"	-2.014552
"92238"	1107.392524	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M-H"	-1.007276
"526694"	1661.592424	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M-H"	-1.007276
"909236"	553.192624	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-H"	-1.007276
"58874"	1124.419071	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M-2H+NH4"	16.019271
"502086"	1678.618971	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M-2H+NH4"	16.019271
"877698"	570.219171	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-2H+NH4"	16.019271
"46210"	1129.374466	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M-2H+Na"	20.974666
"486705"	1683.574366	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M-2H+Na"	20.974666
"863698"	575.174566	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-2H+Na"	20.974666
"1633590"	575.174566	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Na-2H"	20.974666
"106472"	571.180963	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M-H+Cl"	33.962126
"544938"	848.280913	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M-H+Cl"	33.962126
"935173"	294.081013	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-H+Cl"	33.962126
"276646"	1143.369202	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+Cl"	34.969402
"665058"	1697.569102	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+Cl"	34.969402
"1287312"	589.169302	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Cl"	34.969402
"28768"	1145.348406	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M-2H+K"	36.948606
"469424"	1699.548306	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M-2H+K"	36.948606
"847104"	591.148506	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-2H+K"	36.948606
"1564150"	591.148506	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+K-2H"	36.948606
"953135"	599.198094	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-H+HCOOH"	44.998194
"369161"	1153.398001	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+HCOOH-H"	44.998201
"357788"	1167.413651	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+Hac-H"	59.013851
"1502973"	613.213751	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Hac-H"	59.013851
"969787"	621.180051	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-H+NaCOOH"	66.980151
"120882"	589.169302	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+2Cl"	69.938804
"557892"	866.269252	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+2Cl"	69.938804
"1025597"	312.069352	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2Cl"	69.938804
"1245175"	633.118785	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Br"	78.918885
"1305433"	635.174772	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Cl+HCOOH"	80.974872
"1321840"	657.156729	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Cl+NaCOOH"	102.956829
"916179"	667.185486	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M-H+CF3COOH"	112.985586
"1292884"	703.162164	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Cl+CF3COOH"	148.962264
"1376515"	519.187224	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H-2H2O"	-35.012676
"1395108"	537.1972	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H-H2O"	-17.0027
"298379"	1109.407076	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+H"	1.007276
"690993"	1663.606976	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+H"	1.007276
"1366853"	555.207176	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H"	1.007276
"141193"	555.207176	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+2H"	2.014552
"580889"	832.307126	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+2H"	2.014552
"1052113"	278.107226	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2H"	2.014552
"217094"	370.473876	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+3H"	3.021828
"659780"	555.207176	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+3H"	3.021828
"1175876"	185.740576	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+3H"	3.021828
"438908"	1126.433623	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+NH4"	18.033823
"799049"	1680.633523	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+NH4"	18.033823
"1688818"	572.233723	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+NH4"	18.033823
"344637"	563.7204495	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+H+NH4"	19.041099
"736815"	840.8203995	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+H+NH4"	19.041099
"1492595"	286.6204995	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H+NH4"	19.041099
"406395"	1131.389018	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+Na"	22.989218
"763019"	1685.588918	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+Na"	22.989218
"1610024"	577.189118	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Na"	22.989218
"326621"	566.198147	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+H+Na"	23.996494
"716854"	843.298097	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+H+Na"	23.996494
"1471770"	289.098197	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H+Na"	23.996494
"1065015"	193.06789	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2H+Na"	25.00377
"1271919"	587.233386	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+CH3OH+H"	33.033486
"391960"	1147.362958	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+K"	38.963158
"753318"	1701.562858	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+K"	38.963158
"1555245"	593.163058	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+K"	38.963158
"308777"	574.185117	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+H+K"	39.970434
"702293"	851.285067	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+H+K"	39.970434
"1459030"	297.085167	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H+K"	39.970434
"250802"	1150.433626	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+ACN+H"	42.033826
"1224966"	596.233726	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+ACN+H"	42.033826
"1204590"	298.620501	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+ACN+2H"	43.041102
"203053"	1153.37096	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+2Na-H"	44.97116
"638113"	1707.57086	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+2Na-H"	44.97116
"1140526"	599.17106	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2Na-H"	44.97116
"181265"	577.189118	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+2Na"	45.978436
"620098"	854.289068	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+2Na"	45.978436
"1130547"	300.089168	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2Na"	45.978436
"1412613"	200.395204	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H+2Na"	46.985712
"1443998"	601.212646	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H+HCOOH"	47.012746
"231139"	582.22214	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+3H2O+2H"	56.04448
"1513735"	615.26469	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+IsoProp+H"	61.06479
"422168"	585.176088	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+Na+K"	61.952376
"782801"	862.276038	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+Na+K"	61.952376
"1679860"	308.076138	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Na+K"	61.952376
"265892"	1172.415568	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+ACN+Na"	64.015768
"1239698"	618.215668	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+ACN+Na"	64.015768
"1725425"	618.239193	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+NH4+HCOOH"	64.039293
"1189319"	207.722518	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+3Na"	68.967654
"1653383"	623.194588	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Na+HCOOH"	68.994688
"163160"	1185.31884	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+2K-H"	76.91904
"601627"	1739.51874	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+2K-H"	76.91904
"1089421"	631.11894	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2K-H"	76.91904
"144049"	593.163058	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"2M+2K"	77.926316
"585797"	870.263008	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"3M+2K"	77.926316
"1071403"	316.063108	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2K"	77.926316
"1105706"	633.133492	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2K+H"	78.933592
"1344278"	633.221107	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+DMSO+H"	79.021207
"1016087"	637.260276	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2ACN+H"	83.060376
"1534213"	638.253908	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+IsoProp+Na+H"	84.054008
"1000659"	319.133776	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+2ACN+2H"	84.067652
"1596256"	639.168528	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+K+HCOOH"	84.968628
"1423010"	669.200038	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+H+CF3COOH"	115.000138
"1157671"	339.647051	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+3ACN+2H"	125.094202
"1708314"	686.226585	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+NH4+CF3COOH"	132.026685
"1646157"	691.18198	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+Na+CF3COOH"	136.98208
"1578528"	707.15592	"C17476"	"Osthenol-7-O-beta-D-gentiobioside"	"C26H34O13"	"554.1999"	"M+K+CF3COOH"	152.95602
"815455"	426.0322	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M"	0
"989353"	407.01381	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H2O-H"	-19.01839
"77230"	283.014190666667	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-3H"	-3.021828
"517884"	425.024924	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-3H"	-3.021828
"891311"	141.003457333333	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-3H"	-3.021828
"8794"	425.024924	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H"	-2.014552
"454556"	638.041024	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H"	-2.014552
"832649"	212.008824	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H"	-2.014552
"92838"	851.057124	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-H"	-1.007276
"531545"	1277.089324	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-H"	-1.007276
"909959"	425.024924	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H"	-1.007276
"58256"	868.083671	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H+NH4"	16.019271
"501465"	1294.115871	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H+NH4"	16.019271
"878905"	442.051471	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H+NH4"	16.019271
"46646"	873.039066	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H+Na"	20.974666
"486898"	1299.071266	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H+Na"	20.974666
"863806"	447.006866	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H+Na"	20.974666
"1632969"	447.006866	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na-2H"	20.974666
"105489"	443.013263	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-H+Cl"	33.962126
"543954"	656.029363	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-H+Cl"	33.962126
"936376"	229.997163	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+Cl"	33.962126
"276756"	887.033802	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Cl"	34.969402
"665168"	1313.066002	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+Cl"	34.969402
"1279759"	461.001602	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl"	34.969402
"22315"	889.013006	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M-2H+K"	36.948606
"468439"	1315.045206	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M-2H+K"	36.948606
"844054"	462.980806	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-2H+K"	36.948606
"1567180"	462.980806	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K-2H"	36.948606
"955797"	471.030394	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+HCOOH"	44.998194
"373646"	897.062601	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+HCOOH-H"	44.998201
"357898"	911.078251	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Hac-H"	59.013851
"1504546"	485.046051	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Hac-H"	59.013851
"965160"	493.012351	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+NaCOOH"	66.980151
"116253"	461.001602	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2Cl"	69.938804
"554722"	674.017702	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2Cl"	69.938804
"1023520"	247.985502	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2Cl"	69.938804
"1245285"	504.951085	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Br"	78.918885
"1305545"	507.007072	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl+HCOOH"	80.974872
"1320856"	528.989029	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl+NaCOOH"	102.956829
"917381"	539.017786	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M-H+CF3COOH"	112.985586
"1289472"	574.994464	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Cl+CF3COOH"	148.962264
"1368605"	391.019524	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H-2H2O"	-35.012676
"1387564"	409.0295	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H-H2O"	-17.0027
"297826"	853.071676	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H"	1.007276
"691102"	1279.103876	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H"	1.007276
"1364770"	427.039476	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H"	1.007276
"141336"	427.039476	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2H"	2.014552
"580994"	640.055576	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2H"	2.014552
"1051489"	214.023376	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2H"	2.014552
"216836"	285.028742666667	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+3H"	3.021828
"659280"	427.039476	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+3H"	3.021828
"1176959"	143.018009333333	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+3H"	3.021828
"439017"	870.098223	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+NH4"	18.033823
"795879"	1296.130423	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+NH4"	18.033823
"1688928"	444.066023	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+NH4"	18.033823
"345354"	435.5527495	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H+NH4"	19.041099
"737530"	648.5688495	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H+NH4"	19.041099
"1492447"	222.5366495	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+NH4"	19.041099
"404318"	875.053618	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Na"	22.989218
"768960"	1301.085818	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+Na"	22.989218
"1615233"	449.021418	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na"	22.989218
"328551"	438.030447	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H+Na"	23.996494
"715871"	651.046547	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H+Na"	23.996494
"1472973"	225.014347	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+Na"	23.996494
"1066218"	150.345323333333	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2H+Na"	25.00377
"1272191"	459.065686	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+CH3OH+H"	33.033486
"392720"	891.027558	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+K"	38.963158
"750750"	1317.059758	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+K"	38.963158
"1555237"	464.995358	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K"	38.963158
"309980"	446.017417	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+H+K"	39.970434
"702403"	659.033517	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+H+K"	39.970434
"1459869"	233.001317	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+K"	39.970434
"251315"	894.098226	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+ACN+H"	42.033826
"1224710"	468.066026	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+ACN+H"	42.033826
"1204700"	234.536651	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+ACN+2H"	43.041102
"203938"	897.03556	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2Na-H"	44.97116
"637130"	1323.06776	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2Na-H"	44.97116
"1137721"	471.00336	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2Na-H"	44.97116
"179190"	449.021418	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2Na"	45.978436
"617292"	662.037518	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2Na"	45.978436
"1122626"	236.005318	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2Na"	45.978436
"1412358"	157.672637333333	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+2Na"	46.985712
"1443864"	473.044946	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+HCOOH"	47.012746
"229062"	454.05444	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+3H2O+2H"	56.04448
"1516032"	487.09699	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+IsoProp+H"	61.06479
"423374"	457.008388	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+Na+K"	61.952376
"783640"	670.024488	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+Na+K"	61.952376
"1680335"	243.992288	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na+K"	61.952376
"265762"	916.080168	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+ACN+Na"	64.015768
"1239201"	490.047968	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+ACN+Na"	64.015768
"1725171"	490.071493	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+NH4+HCOOH"	64.039293
"1190159"	164.999951333333	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+3Na"	68.967654
"1655316"	495.026888	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na+HCOOH"	68.994688
"161083"	928.98344	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2K-H"	76.91904
"603924"	1355.01564	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2K-H"	76.91904
"1089531"	502.95124	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2K-H"	76.91904
"148533"	464.995358	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"2M+2K"	77.926316
"585908"	678.011458	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"3M+2K"	77.926316
"1071513"	251.979258	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2K"	77.926316
"1104723"	504.965792	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2K+H"	78.933592
"1344388"	505.053407	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+DMSO+H"	79.021207
"1015104"	509.092576	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2ACN+H"	83.060376
"1533229"	510.086208	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+IsoProp+Na+H"	84.054008
"1001862"	255.049926	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+2ACN+2H"	84.067652
"1597460"	511.000828	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K+HCOOH"	84.968628
"1422026"	541.032338	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+H+CF3COOH"	115.000138
"1155594"	275.563201	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+3ACN+2H"	125.094202
"1702957"	558.058885	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+NH4+CF3COOH"	132.026685
"1645903"	563.01428	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+Na+CF3COOH"	136.98208
"1579731"	578.98822	"C17477"	"D-Galacturonic acid calcium salt"	"C12H18CaO14"	"426.0322"	"M+K+CF3COOH"	152.95602
"813379"	127.9423	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M"	0
"988370"	108.92391	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-H2O-H"	-19.01839
"76247"	84.2875906666667	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M-3H"	-3.021828
"516537"	126.935024	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M-3H"	-3.021828
"891421"	41.6401573333333	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-3H"	-3.021828
"7811"	126.935024	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M-2H"	-2.014552
"454300"	190.906174	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M-2H"	-2.014552
"831740"	62.963874	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-2H"	-2.014552
"92826"	254.877324	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M-H"	-1.007276
"529831"	382.819624	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M-H"	-1.007276
"909460"	126.935024	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-H"	-1.007276
"58731"	271.903871	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M-2H+NH4"	16.019271
"501817"	399.846171	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M-2H+NH4"	16.019271
"879136"	143.961571	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-2H+NH4"	16.019271
"46432"	276.859266	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M-2H+Na"	20.974666
"486355"	404.801566	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M-2H+Na"	20.974666
"863871"	148.916966	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-2H+Na"	20.974666
"1631985"	148.916966	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Na-2H"	20.974666
"105964"	144.923363	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M-H+Cl"	33.962126
"545522"	208.894513	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M-H+Cl"	33.962126
"938673"	80.952213	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-H+Cl"	33.962126
"275043"	290.854002	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+Cl"	34.969402
"669286"	418.796302	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+Cl"	34.969402
"1281690"	162.911702	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Cl"	34.969402
"24611"	292.833206	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M-2H+K"	36.948606
"468549"	420.775506	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M-2H+K"	36.948606
"845257"	164.890906	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-2H+K"	36.948606
"1568747"	164.890906	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+K-2H"	36.948606
"955542"	172.940494	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-H+HCOOH"	44.998194
"374849"	300.882801	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+HCOOH-H"	44.998201
"355455"	314.898451	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+Hac-H"	59.013851
"1503563"	186.956151	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Hac-H"	59.013851
"965270"	194.922451	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-H+NaCOOH"	66.980151
"115270"	162.911702	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+2Cl"	69.938804
"554831"	226.882852	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+2Cl"	69.938804
"1023630"	98.940552	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2Cl"	69.938804
"1245394"	206.861185	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Br"	78.918885
"1305655"	208.917172	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Cl+HCOOH"	80.974872
"1322059"	230.899129	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Cl+NaCOOH"	102.956829
"913117"	240.927886	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M-H+CF3COOH"	112.985586
"1290186"	276.904564	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Cl+CF3COOH"	148.962264
"1368713"	92.929624	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H-2H2O"	-35.012676
"1384751"	110.9396	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H-H2O"	-17.0027
"285290"	256.891876	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+H"	1.007276
"689628"	384.834176	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+H"	1.007276
"1361600"	128.949576	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H"	1.007276
"139955"	128.949576	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+2H"	2.014552
"580860"	192.920726	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+2H"	2.014552
"1050506"	64.978426	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2H"	2.014552
"216217"	86.3021426666667	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+3H"	3.021828
"658335"	128.949576	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+3H"	3.021828
"1172816"	43.6547093333333	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+3H"	3.021828
"434997"	273.918423	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+NH4"	18.033823
"792708"	401.860723	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+NH4"	18.033823
"1686850"	145.976123	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+NH4"	18.033823
"340605"	137.4628495	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+H+NH4"	19.041099
"734117"	201.4339995	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+H+NH4"	19.041099
"1489398"	73.4916995	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H+NH4"	19.041099
"401149"	278.873818	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+Na"	22.989218
"765424"	406.816118	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+Na"	22.989218
"1614613"	150.931518	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Na"	22.989218
"323558"	139.940547	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+H+Na"	23.996494
"718165"	203.911697	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+H+Na"	23.996494
"1469802"	75.969397	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H+Na"	23.996494
"1064871"	50.9820233333333	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2H+Na"	25.00377
"1271289"	160.975786	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+CH3OH+H"	33.033486
"392053"	294.847758	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+K"	38.963158
"750496"	422.790058	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+K"	38.963158
"1555101"	166.905458	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+K"	38.963158
"304622"	147.927517	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+H+K"	39.970434
"699232"	211.898667	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+H+K"	39.970434
"1455240"	83.956367	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H+K"	39.970434
"248946"	297.918426	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+ACN+H"	42.033826
"1223479"	169.976126	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+ACN+H"	42.033826
"1202622"	85.491701	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+ACN+2H"	43.041102
"198774"	300.85576	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+2Na-H"	44.97116
"632867"	428.79806	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+2Na-H"	44.97116
"1135279"	172.91346	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2Na-H"	44.97116
"175291"	150.931518	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+2Na"	45.978436
"615213"	214.902668	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+2Na"	45.978436
"1122736"	86.960368	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2Na"	45.978436
"1412947"	58.3093373333333	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H+2Na"	46.985712
"1441663"	174.955046	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H+HCOOH"	47.012746
"226985"	155.96454	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+3H2O+2H"	56.04448
"1519421"	189.00709	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+IsoProp+H"	61.06479
"422388"	158.918488	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+Na+K"	61.952376
"782291"	222.889638	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+Na+K"	61.952376
"1680442"	94.947338	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Na+K"	61.952376
"262952"	319.900368	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+ACN+Na"	64.015768
"1239675"	191.958068	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+ACN+Na"	64.015768
"1724551"	191.981593	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+NH4+HCOOH"	64.039293
"1189538"	65.6366513333333	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+3Na"	68.967654
"1655426"	196.936988	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Na+HCOOH"	68.994688
"160100"	332.80364	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+2K-H"	76.91904
"604034"	460.74594	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+2K-H"	76.91904
"1089641"	204.86134	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2K-H"	76.91904
"145363"	166.905458	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"2M+2K"	77.926316
"587110"	230.876608	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"3M+2K"	77.926316
"1071623"	102.934308	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2K"	77.926316
"1104833"	206.875892	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2K+H"	78.933592
"1343404"	206.963507	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+DMSO+H"	79.021207
"1015214"	211.002676	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2ACN+H"	83.060376
"1532246"	211.996308	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+IsoProp+Na+H"	84.054008
"1000879"	106.004976	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+2ACN+2H"	84.067652
"1596477"	212.910928	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+K+HCOOH"	84.968628
"1422136"	242.942438	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+H+CF3COOH"	115.000138
"1155704"	126.518251	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+3ACN+2H"	125.094202
"1704160"	259.968985	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+NH4+CF3COOH"	132.026685
"1646377"	264.92438	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+Na+CF3COOH"	136.98208
"1579841"	280.89832	"C17478"	"Calcium oxalate"	"C2O4Ca"	"127.9423"	"M+K+CF3COOH"	152.95602
"817048"	222.0528	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M"	0
"989867"	203.03441	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"78472"	147.027924	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"518463"	221.045524	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"893719"	73.010324	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"14121"	221.045524	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"452587"	332.071924	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"832460"	110.019124	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"93300"	443.098324	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"533919"	665.151124	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"908475"	221.045524	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"59205"	460.124871	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"502297"	682.177671	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"879612"	238.072071	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"46621"	465.080266	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"486710"	687.133066	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"863955"	243.027466	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1634056"	243.027466	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"109951"	239.033863	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"548918"	350.060263	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"940241"	128.007463	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"278436"	479.075002	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"675114"	701.127802	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1286541"	257.022202	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"30192"	481.054206	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"470971"	703.107006	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"847317"	259.001406	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1569950"	259.001406	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"955650"	267.050994	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"376894"	489.103801	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"355565"	503.119451	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1507318"	281.066651	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"968662"	289.032951	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"119754"	257.022202	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"556034"	368.048602	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1025927"	145.995802	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1246598"	300.971685	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1311234"	303.027672	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1324356"	325.009629	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"918695"	335.038386	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1298686"	371.015064	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1375753"	187.040124	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1389970"	205.0501	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"290748"	445.112876	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"684265"	667.165676	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1367014"	223.060076	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"141316"	223.060076	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"575253"	334.086476	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1052077"	112.033676	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"217422"	149.042476	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"659784"	223.060076	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1177959"	75.024876	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"438025"	462.139423	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"800358"	684.192223	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1694987"	240.086623	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"344359"	231.5733495	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"736051"	342.5997495	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1489139"	120.5469495	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"402353"	467.094818	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"767722"	689.147618	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1613633"	245.042018	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"326948"	234.051047	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"719370"	345.077447	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1473193"	123.024647	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1063158"	82.35219	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1270669"	255.086286	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"392365"	483.068758	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"751699"	705.121558	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1554845"	261.015958	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"308013"	242.038017	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"699342"	353.064417	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1459362"	131.011617	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"248693"	486.139426	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1222860"	264.086626	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1206743"	132.546951	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"202168"	489.07676	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"632976"	711.12956	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1138668"	267.02396	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"179772"	245.042018	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"619335"	356.068418	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1126126"	134.015618	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1408559"	89.679504	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1445504"	269.065546	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"235238"	250.07504	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1522811"	283.11759	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"422499"	253.028988	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"785075"	364.055388	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1680554"	142.002588	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"267105"	508.121368	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1240146"	286.068568	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1724660"	286.092093	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1189649"	97.006818	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1655533"	291.047488	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"161302"	521.02464	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"600864"	743.07744	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1087562"	298.97184	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"147659"	261.015958	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"587221"	372.042358	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1075013"	149.989558	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1102752"	300.986392	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1343511"	301.074007	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1009855"	305.113176	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1530168"	306.106808	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"997712"	153.060226	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1598775"	307.021428	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1427714"	337.052938	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1160187"	173.573501	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1711926"	354.079485	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1645394"	359.03488	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1575577"	375.00882	"C17479"	"Fraxidin;8-Hydroxy-67-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"803754"	222.0528	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M"	0
"981661"	203.03441	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H2O-H"	-19.01839
"77442"	147.027924	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-3H"	-3.021828
"516029"	221.045524	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-3H"	-3.021828
"890548"	73.010324	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-3H"	-3.021828
"5843"	221.045524	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H"	-2.014552
"449778"	332.071924	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H"	-2.014552
"829042"	110.019124	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H"	-2.014552
"89033"	443.098324	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-H"	-1.007276
"527134"	665.151124	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-H"	-1.007276
"908949"	221.045524	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H"	-1.007276
"57128"	460.124871	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H+NH4"	16.019271
"500335"	682.177671	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H+NH4"	16.019271
"876316"	238.072071	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H+NH4"	16.019271
"39115"	465.080266	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H+Na"	20.974666
"484141"	687.133066	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H+Na"	20.974666
"861580"	243.027466	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H+Na"	20.974666
"1631476"	243.027466	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na-2H"	20.974666
"103265"	239.033863	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-H+Cl"	33.962126
"541002"	350.060263	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-H+Cl"	33.962126
"932330"	128.007463	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+Cl"	33.962126
"275263"	479.075002	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Cl"	34.969402
"668777"	701.127802	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+Cl"	34.969402
"1277898"	257.022202	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl"	34.969402
"22644"	481.054206	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M-2H+K"	36.948606
"468769"	703.107006	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M-2H+K"	36.948606
"846940"	259.001406	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-2H+K"	36.948606
"1569332"	259.001406	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K-2H"	36.948606
"953573"	267.050994	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+HCOOH"	44.998194
"375069"	489.103801	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+HCOOH-H"	44.998201
"356768"	503.119451	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Hac-H"	59.013851
"1507307"	281.066651	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Hac-H"	59.013851
"966585"	289.032951	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+NaCOOH"	66.980151
"118771"	257.022202	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2Cl"	69.938804
"556144"	368.048602	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2Cl"	69.938804
"1026037"	145.995802	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2Cl"	69.938804
"1245615"	300.971685	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Br"	78.918885
"1309158"	303.027672	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl+HCOOH"	80.974872
"1323373"	325.009629	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl+NaCOOH"	102.956829
"918806"	335.038386	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M-H+CF3COOH"	112.985586
"1297703"	371.015064	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Cl+CF3COOH"	148.962264
"1372584"	187.040124	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H-2H2O"	-35.012676
"1390080"	205.0501	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H-H2O"	-17.0027
"288671"	445.112876	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H"	1.007276
"683282"	667.165676	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H"	1.007276
"1366983"	223.060076	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H"	1.007276
"140178"	223.060076	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2H"	2.014552
"574269"	334.086476	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2H"	2.014552
"1052063"	112.033676	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2H"	2.014552
"217532"	149.042476	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+3H"	3.021828
"657829"	223.060076	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+3H"	3.021828
"1177780"	75.024876	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+3H"	3.021828
"438865"	462.139423	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+NH4"	18.033823
"799981"	684.192223	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+NH4"	18.033823
"1696069"	240.086623	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+NH4"	18.033823
"343011"	231.5733495	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H+NH4"	19.041099
"736525"	342.5997495	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H+NH4"	19.041099
"1489247"	120.5469495	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+NH4"	19.041099
"404648"	467.094818	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Na"	22.989218
"766740"	689.147618	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+Na"	22.989218
"1614836"	245.042018	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na"	22.989218
"326330"	234.051047	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H+Na"	23.996494
"720697"	345.077447	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H+Na"	23.996494
"1473303"	123.024647	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+Na"	23.996494
"1063268"	82.35219	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2H+Na"	25.00377
"1269320"	255.086286	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+CH3OH+H"	33.033486
"390815"	483.068758	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+K"	38.963158
"748893"	705.121558	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+K"	38.963158
"1554226"	261.015958	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K"	38.963158
"304843"	242.038017	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+H+K"	39.970434
"700546"	353.064417	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+H+K"	39.970434
"1455459"	131.011617	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+K"	39.970434
"247707"	486.139426	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+ACN+H"	42.033826
"1221876"	264.086626	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+ACN+H"	42.033826
"1205029"	132.546951	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+ACN+2H"	43.041102
"199723"	489.07676	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2Na-H"	44.97116
"632357"	711.12956	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2Na-H"	44.97116
"1135863"	267.02396	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2Na-H"	44.97116
"177698"	245.042018	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2Na"	45.978436
"614707"	356.068418	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2Na"	45.978436
"1121861"	134.015618	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2Na"	45.978436
"1413612"	89.679504	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+2Na"	46.985712
"1445086"	269.065546	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+HCOOH"	47.012746
"233765"	250.07504	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+3H2O+2H"	56.04448
"1520734"	283.11759	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+IsoProp+H"	61.06479
"420421"	253.028988	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+Na+K"	61.952376
"783603"	364.055388	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+Na+K"	61.952376
"1679569"	142.002588	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na+K"	61.952376
"267023"	508.121368	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+ACN+Na"	64.015768
"1240256"	286.068568	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+ACN+Na"	64.015768
"1726227"	286.092093	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+NH4+HCOOH"	64.039293
"1192676"	97.006818	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+3Na"	68.967654
"1653820"	291.047488	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na+HCOOH"	68.994688
"161413"	521.02464	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2K-H"	76.91904
"602067"	743.07744	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2K-H"	76.91904
"1087674"	298.97184	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2K-H"	76.91904
"145580"	261.015958	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"2M+2K"	77.926316
"583078"	372.042358	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"3M+2K"	77.926316
"1076217"	149.989558	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2K"	77.926316
"1100549"	300.986392	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2K+H"	78.933592
"1338154"	301.074007	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+DMSO+H"	79.021207
"1009964"	305.113176	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2ACN+H"	83.060376
"1530279"	306.106808	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+IsoProp+Na+H"	84.054008
"998915"	153.060226	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+2ACN+2H"	84.067652
"1600706"	307.021428	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K+HCOOH"	84.968628
"1428916"	337.052938	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+H+CF3COOH"	115.000138
"1161390"	173.573501	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+3ACN+2H"	125.094202
"1709848"	354.079485	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+NH4+CF3COOH"	132.026685
"1643317"	359.03488	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+Na+CF3COOH"	136.98208
"1575686"	375.00882	"C17480"	"Isofraxidin;7-Hydroxy-68-dimethoxy-2H-1-benzopyran-2-one"	"C11H10O5"	"222.0528"	"M+K+CF3COOH"	152.95602
"802768"	328.1311	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M"	0
"979584"	309.11271	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-H2O-H"	-19.01839
"77674"	217.746790666667	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M-3H"	-3.021828
"516139"	327.123824	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M-3H"	-3.021828
"891751"	108.369757333333	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-3H"	-3.021828
"8139"	327.123824	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M-2H"	-2.014552
"450981"	491.189374	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M-2H"	-2.014552
"829152"	163.058274	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-2H"	-2.014552
"89871"	655.254924	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M-H"	-1.007276
"526151"	983.386024	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M-H"	-1.007276
"903954"	327.123824	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-H"	-1.007276
"53956"	672.281471	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M-2H+NH4"	16.019271
"500445"	1000.412571	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M-2H+NH4"	16.019271
"878007"	344.150371	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-2H+NH4"	16.019271
"41411"	677.236866	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M-2H+Na"	20.974666
"484981"	1005.367966	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M-2H+Na"	20.974666
"863026"	349.105766	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-2H+Na"	20.974666
"1627211"	349.105766	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Na-2H"	20.974666
"108843"	345.112163	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M-H+Cl"	33.962126
"543298"	509.177713	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M-H+Cl"	33.962126
"934626"	181.046613	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-H+Cl"	33.962126
"280719"	691.231602	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+Cl"	34.969402
"669251"	1019.362702	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+Cl"	34.969402
"1278008"	363.100502	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Cl"	34.969402
"22753"	693.210806	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M-2H+K"	36.948606
"469975"	1021.341906	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M-2H+K"	36.948606
"840118"	365.079706	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-2H+K"	36.948606
"1568711"	365.079706	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+K-2H"	36.948606
"951491"	373.129294	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-H+HCOOH"	44.998194
"368617"	701.260401	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+HCOOH-H"	44.998201
"360527"	715.276051	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+Hac-H"	59.013851
"1506080"	387.144951	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Hac-H"	59.013851
"967788"	395.111251	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-H+NaCOOH"	66.980151
"118882"	363.100502	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+2Cl"	69.938804
"559534"	527.166052	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+2Cl"	69.938804
"1031614"	199.034952	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2Cl"	69.938804
"1253379"	407.049985	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Br"	78.918885
"1310362"	409.105972	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Cl+HCOOH"	80.974872
"1326764"	431.087929	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Cl+NaCOOH"	102.956829
"924383"	441.116686	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M-H+CF3COOH"	112.985586
"1297813"	477.093364	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Cl+CF3COOH"	148.962264
"1373787"	293.118424	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H-2H2O"	-35.012676
"1388002"	311.1284	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H-H2O"	-17.0027
"287687"	657.269476	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+H"	1.007276
"686672"	985.400576	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+H"	1.007276
"1365576"	329.138376	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H"	1.007276
"130444"	329.138376	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+2H"	2.014552
"574378"	493.203926	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+2H"	2.014552
"1050836"	165.072826	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2H"	2.014552
"217642"	219.761342666667	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+3H"	3.021828
"657210"	329.138376	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+3H"	3.021828
"1176432"	110.384309333333	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+3H"	3.021828
"438610"	674.296023	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+NH4"	18.033823
"799603"	1002.427123	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+NH4"	18.033823
"1695571"	346.164923	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+NH4"	18.033823
"344214"	337.6516495	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+H+NH4"	19.041099
"735542"	501.7171995	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+H+NH4"	19.041099
"1487171"	173.5860995	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H+NH4"	19.041099
"403664"	679.251418	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+Na"	22.989218
"766120"	1007.382518	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+Na"	22.989218
"1616405"	351.120318	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Na"	22.989218
"325711"	340.129347	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+H+Na"	23.996494
"719226"	504.194897	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+H+Na"	23.996494
"1471227"	176.063797	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H+Na"	23.996494
"1062285"	117.711623333333	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2H+Na"	25.00377
"1267244"	361.164586	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+CH3OH+H"	33.033486
"389101"	695.225358	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+K"	38.963158
"751555"	1023.356458	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+K"	38.963158
"1554343"	367.094258	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+K"	38.963158
"307869"	348.116317	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+H+K"	39.970434
"700656"	512.181867	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+H+K"	39.970434
"1456663"	184.050767	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H+K"	39.970434
"247088"	698.296026	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+ACN+H"	42.033826
"1223079"	370.164926	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+ACN+H"	42.033826
"1206598"	185.586101	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+ACN+2H"	43.041102
"200197"	701.23336	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+2Na-H"	44.97116
"633200"	1029.36446	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+2Na-H"	44.97116
"1135612"	373.10226	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2Na-H"	44.97116
"182182"	351.120318	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+2Na"	45.978436
"622836"	515.185868	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+2Na"	45.978436
"1123064"	187.054768	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2Na"	45.978436
"1413158"	125.038937333333	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H+2Na"	46.985712
"1443091"	375.143846	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H+HCOOH"	47.012746
"232420"	356.15334	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+3H2O+2H"	56.04448
"1523893"	389.19589	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+IsoProp+H"	61.06479
"418712"	359.107288	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+Na+K"	61.952376
"783353"	523.172838	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+Na+K"	61.952376
"1679318"	195.041738	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Na+K"	61.952376
"265105"	720.277968	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+ACN+Na"	64.015768
"1240004"	392.146868	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+ACN+Na"	64.015768
"1727798"	392.170393	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+NH4+HCOOH"	64.039293
"1193398"	132.366251333333	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+3Na"	68.967654
"1656847"	397.125788	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Na+HCOOH"	68.994688
"163709"	733.18124	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+2K-H"	76.91904
"605459"	1061.31234	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+2K-H"	76.91904
"1088878"	405.05014	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2K-H"	76.91904
"144601"	367.094258	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"2M+2K"	77.926316
"588170"	531.159808	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"3M+2K"	77.926316
"1078514"	203.028708	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2K"	77.926316
"1105161"	407.064692	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2K+H"	78.933592
"1342639"	407.152307	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+DMSO+H"	79.021207
"1011169"	411.191476	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2ACN+H"	83.060376
"1531484"	412.185108	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+IsoProp+Na+H"	84.054008
"999754"	206.099376	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+2ACN+2H"	84.067652
"1596808"	413.099728	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+K+HCOOH"	84.968628
"1427936"	443.131238	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+H+CF3COOH"	115.000138
"1162110"	226.612651	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+3ACN+2H"	125.094202
"1709959"	460.157785	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+NH4+CF3COOH"	132.026685
"1643427"	465.11318	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+Na+CF3COOH"	136.98208
"1575796"	481.08712	"C17482"	"(-)-Deltoin"	"C19H20O5"	"328.1311"	"M+K+CF3COOH"	152.95602
"803608"	276.0998	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M"	0
"980787"	257.08141	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-H2O-H"	-19.01839
"77659"	183.059257333333	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M-3H"	-3.021828
"517949"	275.092524	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M-3H"	-3.021828
"890767"	91.0259906666667	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-3H"	-3.021828
"11529"	275.092524	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M-2H"	-2.014552
"451091"	413.142424	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M-2H"	-2.014552
"831448"	137.042624	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-2H"	-2.014552
"91439"	551.192324	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M-H"	-1.007276
"529541"	827.292124	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M-H"	-1.007276
"904063"	275.092524	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-H"	-1.007276
"59534"	568.218871	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M-2H+NH4"	16.019271
"501288"	844.318671	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M-2H+NH4"	16.019271
"879456"	292.119071	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-2H+NH4"	16.019271
"45899"	573.174266	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M-2H+Na"	20.974666
"485212"	849.274066	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M-2H+Na"	20.974666
"863341"	297.074466	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-2H+Na"	20.974666
"1628414"	297.074466	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Na-2H"	20.974666
"109321"	293.080863	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M-H+Cl"	33.962126
"546689"	431.130763	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M-H+Cl"	33.962126
"936924"	155.030963	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-H+Cl"	33.962126
"281680"	587.169002	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+Cl"	34.969402
"668997"	863.268802	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+Cl"	34.969402
"1278118"	311.069202	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Cl"	34.969402
"23956"	589.148206	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M-2H+K"	36.948606
"470327"	865.248006	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M-2H+K"	36.948606
"840228"	313.048406	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-2H+K"	36.948606
"1569551"	313.048406	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+K-2H"	36.948606
"948321"	321.097994	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-H+HCOOH"	44.998194
"367629"	597.197801	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+HCOOH-H"	44.998201
"355524"	611.213451	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+Hac-H"	59.013851
"1501441"	335.113651	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Hac-H"	59.013851
"967899"	343.079951	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-H+NaCOOH"	66.980151
"122637"	311.069202	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+2Cl"	69.938804
"559646"	449.119102	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+2Cl"	69.938804
"1033549"	173.019302	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2Cl"	69.938804
"1253490"	355.018685	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Br"	78.918885
"1316306"	357.074672	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Cl+HCOOH"	80.974872
"1331248"	379.056629	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Cl+NaCOOH"	102.956829
"925223"	389.085386	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M-H+CF3COOH"	112.985586
"1297924"	425.062064	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Cl+CF3COOH"	148.962264
"1374991"	241.087124	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H-2H2O"	-35.012676
"1392487"	259.0971	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H-H2O"	-17.0027
"292172"	553.206876	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+H"	1.007276
"686783"	829.306676	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+H"	1.007276
"1364225"	277.107076	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H"	1.007276
"138209"	277.107076	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+2H"	2.014552
"569385"	415.156976	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+2H"	2.014552
"1049854"	139.057176	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2H"	2.014552
"216295"	185.073809333333	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+3H"	3.021828
"655133"	277.107076	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+3H"	3.021828
"1174355"	93.0405426666667	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+3H"	3.021828
"435441"	570.233423	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+NH4"	18.033823
"797527"	846.333223	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+NH4"	18.033823
"1693859"	294.133623	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+NH4"	18.033823
"339950"	285.6203495	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+H+NH4"	19.041099
"732372"	423.6702495	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+H+NH4"	19.041099
"1487282"	147.5704495	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H+NH4"	19.041099
"404868"	575.188818	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+Na"	22.989218
"765865"	851.288618	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+Na"	22.989218
"1614693"	299.089018	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Na"	22.989218
"327281"	288.098047	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+H+Na"	23.996494
"719701"	426.147947	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+H+Na"	23.996494
"1470242"	150.048147	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H+Na"	23.996494
"1064578"	100.367856666667	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2H+Na"	25.00377
"1270266"	309.133286	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+CH3OH+H"	33.033486
"387025"	591.162758	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+K"	38.963158
"750207"	867.262558	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+K"	38.963158
"1554327"	315.062958	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+K"	38.963158
"308342"	296.085017	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+H+K"	39.970434
"701858"	434.134917	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+H+K"	39.970434
"1456771"	158.035117	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H+K"	39.970434
"249020"	594.233426	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+ACN+H"	42.033826
"1219175"	318.133626	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+ACN+H"	42.033826
"1204887"	159.570451	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+ACN+2H"	43.041102
"201401"	597.17076	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+2Na-H"	44.97116
"633310"	873.27056	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+2Na-H"	44.97116
"1140096"	321.07096	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2Na-H"	44.97116
"182292"	299.089018	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+2Na"	45.978436
"622946"	437.138918	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+2Na"	45.978436
"1125361"	161.039118	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2Na"	45.978436
"1408887"	107.695170666667	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H+2Na"	46.985712
"1444902"	323.112546	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H+HCOOH"	47.012746
"234718"	304.12204	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+3H2O+2H"	56.04448
"1521320"	337.16459	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+IsoProp+H"	61.06479
"422467"	307.075988	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+Na+K"	61.952376
"783828"	445.125888	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+Na+K"	61.952376
"1679428"	169.026088	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Na+K"	61.952376
"266318"	616.215368	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+ACN+Na"	64.015768
"1240844"	340.115568	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+ACN+Na"	64.015768
"1726816"	340.139093	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+NH4+HCOOH"	64.039293
"1191806"	115.022484666667	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+3Na"	68.967654
"1654772"	345.094488	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Na+HCOOH"	68.994688
"162726"	629.11864	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+2K-H"	76.91904
"600100"	905.21844	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+2K-H"	76.91904
"1085708"	353.01884	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2K-H"	76.91904
"145803"	315.062958	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"2M+2K"	77.926316
"585361"	453.112858	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"3M+2K"	77.926316
"1076440"	177.013058	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2K"	77.926316
"1101502"	355.033392	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2K+H"	78.933592
"1337283"	355.121007	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+DMSO+H"	79.021207
"1007028"	359.160176	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2ACN+H"	83.060376
"1528312"	360.153808	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+IsoProp+Na+H"	84.054008
"1000230"	180.083726	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+2ACN+2H"	84.067652
"1598013"	361.068428	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+K+HCOOH"	84.968628
"1427316"	391.099938	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+H+CF3COOH"	115.000138
"1160884"	200.597001	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+3ACN+2H"	125.094202
"1711768"	408.126485	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+NH4+CF3COOH"	132.026685
"1645724"	413.08188	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+Na+CF3COOH"	136.98208
"1575906"	429.05582	"C17483"	"Hamaudol"	"C15H16O5"	"276.0998"	"M+K+CF3COOH"	152.95602
"803718"	438.1526	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M"	0
"979804"	419.13421	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-H2O-H"	-19.01839
"75703"	291.094457333333	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M-3H"	-3.021828
"514171"	437.145324	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M-3H"	-3.021828
"895498"	145.043590666667	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-3H"	-3.021828
"13827"	437.145324	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M-2H"	-2.014552
"455214"	656.221624	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M-2H"	-2.014552
"832370"	218.069024	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-2H"	-2.014552
"90817"	875.297924	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M-H"	-1.007276
"531838"	1313.450524	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M-H"	-1.007276
"904173"	437.145324	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-H"	-1.007276
"59644"	892.324471	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M-2H+NH4"	16.019271
"502126"	1330.477071	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M-2H+NH4"	16.019271
"879831"	454.171871	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-2H+NH4"	16.019271
"47081"	897.279866	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M-2H+Na"	20.974666
"485564"	1335.432466	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M-2H+Na"	20.974666
"863735"	459.127266	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-2H+Na"	20.974666
"1633386"	459.127266	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Na-2H"	20.974666
"109633"	455.133663	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M-H+Cl"	33.962126
"547892"	674.209963	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M-H+Cl"	33.962126
"940313"	236.057363	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-H+Cl"	33.962126
"281913"	911.274602	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+Cl"	34.969402
"670200"	1349.427202	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+Cl"	34.969402
"1279322"	473.122002	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Cl"	34.969402
"25161"	913.253806	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M-2H+K"	36.948606
"471275"	1351.406406	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M-2H+K"	36.948606
"840338"	475.101206	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-2H+K"	36.948606
"1570026"	475.101206	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+K-2H"	36.948606
"951711"	483.150794	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-H+HCOOH"	44.998194
"367739"	921.303401	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+HCOOH-H"	44.998201
"355634"	935.319051	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+Hac-H"	59.013851
"1495717"	497.166451	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Hac-H"	59.013851
"966916"	505.132751	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-H+NaCOOH"	66.980151
"123476"	473.122002	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+2Cl"	69.938804
"558663"	692.198302	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+2Cl"	69.938804
"1034023"	254.045702	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2Cl"	69.938804
"1253600"	517.071485	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Br"	78.918885
"1313864"	519.127472	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Cl+HCOOH"	80.974872
"1330265"	541.109429	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Cl+NaCOOH"	102.956829
"926714"	551.138186	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M-H+CF3COOH"	112.985586
"1298031"	587.114864	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Cl+CF3COOH"	148.962264
"1378380"	403.139924	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H-2H2O"	-35.012676
"1394783"	421.1499	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H-H2O"	-17.0027
"294468"	877.312476	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+H"	1.007276
"686893"	1315.465076	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+H"	1.007276
"1365428"	439.159876	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H"	1.007276
"138319"	439.159876	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+2H"	2.014552
"573504"	658.236176	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+2H"	2.014552
"1048867"	220.083576	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2H"	2.014552
"217862"	293.109009333333	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+3H"	3.021828
"656336"	439.159876	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+3H"	3.021828
"1174464"	147.058142666667	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+3H"	3.021828
"436644"	894.339023	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+NH4"	18.033823
"796544"	1332.491623	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+NH4"	18.033823
"1692876"	456.186423	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+NH4"	18.033823
"340060"	447.6731495	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+H+NH4"	19.041099
"733575"	666.7494495	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+H+NH4"	19.041099
"1487393"	228.5968495	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H+NH4"	19.041099
"403887"	899.294418	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+Na"	22.989218
"762696"	1337.447018	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+Na"	22.989218
"1614073"	461.141818	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Na"	22.989218
"327026"	450.150847	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+H+Na"	23.996494
"718717"	669.227147	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+H+Na"	23.996494
"1471446"	231.074547	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H+Na"	23.996494
"1065780"	154.385456666667	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2H+Na"	25.00377
"1268552"	471.186086	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+CH3OH+H"	33.033486
"387136"	915.268358	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+K"	38.963158
"753599"	1353.420958	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+K"	38.963158
"1553831"	477.115758	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+K"	38.963158
"311732"	458.137817	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+H+K"	39.970434
"701968"	677.214117	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+H+K"	39.970434
"1456881"	239.061517	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H+K"	39.970434
"249494"	918.339026	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+ACN+H"	42.033826
"1219285"	480.186426	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+ACN+H"	42.033826
"1207182"	240.596851	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+ACN+2H"	43.041102
"201511"	921.27636	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+2Na-H"	44.97116
"639980"	1359.42896	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+2Na-H"	44.97116
"1143486"	483.12376	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2Na-H"	44.97116
"182402"	461.141818	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+2Na"	45.978436
"626336"	680.218118	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+2Na"	45.978436
"1129844"	242.065518	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2Na"	45.978436
"1411183"	161.712770666667	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H+2Na"	46.985712
"1444038"	485.165346	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H+HCOOH"	47.012746
"231547"	466.17484	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+3H2O+2H"	56.04448
"1517787"	499.21739	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+IsoProp+H"	61.06479
"419297"	469.128788	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+Na+K"	61.952376
"782479"	688.205088	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+Na+K"	61.952376
"1678809"	250.052488	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Na+K"	61.952376
"265328"	940.320968	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+ACN+Na"	64.015768
"1241035"	502.168368	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+ACN+Na"	64.015768
"1725468"	502.191893	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+NH4+HCOOH"	64.039293
"1190823"	169.040084666667	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+3Na"	68.967654
"1655973"	507.147288	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Na+HCOOH"	68.994688
"162836"	953.22424	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+2K-H"	76.91904
"601668"	1391.37684	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+2K-H"	76.91904
"1089097"	515.07164	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2K-H"	76.91904
"145914"	477.115758	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"2M+2K"	77.926316
"586565"	696.192058	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"3M+2K"	77.926316
"1076549"	258.039458	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2K"	77.926316
"1103193"	517.086192	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2K+H"	78.933592
"1339580"	517.173807	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+DMSO+H"	79.021207
"1009202"	521.212976	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2ACN+H"	83.060376
"1527328"	522.206608	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+IsoProp+Na+H"	84.054008
"999245"	261.110126	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+2ACN+2H"	84.067652
"1599946"	523.121228	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+K+HCOOH"	84.968628
"1428519"	553.152738	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+H+CF3COOH"	115.000138
"1161722"	281.623401	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+3ACN+2H"	125.094202
"1709085"	570.179285	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+NH4+CF3COOH"	132.026685
"1644741"	575.13468	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+Na+CF3COOH"	136.98208
"1574923"	591.10862	"C17484"	"sec-o-Glucosylhamaudol"	"C21H26O10"	"438.1526"	"M+K+CF3COOH"	152.95602
"809662"	449.2202	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M"	0
"979914"	430.20181	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-H2O-H"	-19.01839
"75813"	298.472857333333	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M-3H"	-3.021828
"517319"	448.212924	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M-3H"	-3.021828
"895085"	148.732790666667	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-3H"	-3.021828
"14304"	448.212924	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M-2H"	-2.014552
"454919"	672.823024	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M-2H"	-2.014552
"832781"	223.602824	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-2H"	-2.014552
"92024"	897.433124	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M-H"	-1.007276
"530855"	1346.653324	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M-H"	-1.007276
"910481"	448.212924	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-H"	-1.007276
"59754"	914.459671	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M-2H+NH4"	16.019271
"502749"	1363.679871	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M-2H+NH4"	16.019271
"879901"	465.239471	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-2H+NH4"	16.019271
"45995"	919.415066	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M-2H+Na"	20.974666
"487085"	1368.635266	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M-2H+Na"	20.974666
"863845"	470.194866	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-2H+Na"	20.974666
"1634118"	470.194866	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Na-2H"	20.974666
"109890"	466.201263	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M-H+Cl"	33.962126
"546908"	690.811363	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M-H+Cl"	33.962126
"936049"	241.591163	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-H+Cl"	33.962126
"282389"	933.409802	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+Cl"	34.969402
"673590"	1382.630002	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+Cl"	34.969402
"1280526"	484.189602	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Cl"	34.969402
"27457"	935.389006	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M-2H+K"	36.948606
"471250"	1384.609206	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M-2H+K"	36.948606
"841541"	486.168806	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-2H+K"	36.948606
"1571272"	486.168806	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+K-2H"	36.948606
"955101"	494.218394	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-H+HCOOH"	44.998194
"372222"	943.438601	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+HCOOH-H"	44.998201
"356108"	957.454251	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+Hac-H"	59.013851
"1497286"	508.234051	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Hac-H"	59.013851
"973221"	516.200351	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-H+NaCOOH"	66.980151
"123221"	484.189602	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+2Cl"	69.938804
"558773"	708.799702	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+2Cl"	69.938804
"1034133"	259.579502	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2Cl"	69.938804
"1253710"	528.139085	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Br"	78.918885
"1315067"	530.195072	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Cl+HCOOH"	80.974872
"1330376"	552.177029	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Cl+NaCOOH"	102.956829
"926662"	562.205786	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M-H+CF3COOH"	112.985586
"1298141"	598.182464	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Cl+CF3COOH"	148.962264
"1378490"	414.207524	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H-2H2O"	-35.012676
"1393800"	432.2175	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H-H2O"	-17.0027
"294578"	899.447676	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+H"	1.007276
"687003"	1348.667876	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+H"	1.007276
"1365174"	450.227476	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H"	1.007276
"137336"	450.227476	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+2H"	2.014552
"574707"	674.837576	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+2H"	2.014552
"1048977"	225.617376	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2H"	2.014552
"216879"	300.487409333333	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+3H"	3.021828
"654988"	450.227476	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+3H"	3.021828
"1171292"	150.747342666667	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+3H"	3.021828
"435294"	916.474223	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+NH4"	18.033823
"796653"	1365.694423	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+NH4"	18.033823
"1689707"	467.254023	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+NH4"	18.033823
"337983"	458.7407495	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+H+NH4"	19.041099
"731495"	683.3508495	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+H+NH4"	19.041099
"1484224"	234.1306495	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H+NH4"	19.041099
"400717"	921.429618	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+Na"	22.989218
"759526"	1370.649818	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+Na"	22.989218
"1614184"	472.209418	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Na"	22.989218
"326407"	461.218447	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+H+Na"	23.996494
"717734"	685.828547	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+H+Na"	23.996494
"1471555"	236.608347	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H+Na"	23.996494
"1063703"	158.074656666667	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2H+Na"	25.00377
"1265382"	482.253686	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+CH3OH+H"	33.033486
"386143"	937.403558	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+K"	38.963158
"754144"	1386.623758	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+K"	38.963158
"1555277"	488.183358	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+K"	38.963158
"305282"	469.205417	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+H+K"	39.970434
"702078"	693.815517	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+H+K"	39.970434
"1456991"	244.595317	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H+K"	39.970434
"248875"	940.474226	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+ACN+H"	42.033826
"1220488"	491.254026	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+ACN+H"	42.033826
"1205470"	246.130651	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+ACN+2H"	43.041102
"200527"	943.41156	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+2Na-H"	44.97116
"636809"	1392.63176	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+2Na-H"	44.97116
"1143596"	494.19136	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2Na-H"	44.97116
"187741"	472.209418	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+2Na"	45.978436
"627666"	696.819518	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+2Na"	45.978436
"1129591"	247.599318	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2Na"	45.978436
"1413237"	165.401970666667	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H+2Na"	46.985712
"1442685"	496.232946	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H+HCOOH"	47.012746
"234933"	477.24244	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+3H2O+2H"	56.04448
"1522268"	510.28499	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+IsoProp+H"	61.06479
"422318"	480.196388	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+Na+K"	61.952376
"784046"	704.806488	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+Na+K"	61.952376
"1679282"	255.586288	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Na+K"	61.952376
"265801"	962.456168	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+ACN+Na"	64.015768
"1239967"	513.235968	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+ACN+Na"	64.015768
"1726671"	513.259493	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+NH4+HCOOH"	64.039293
"1192027"	172.729284666667	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+3Na"	68.967654
"1660459"	518.214888	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Na+HCOOH"	68.994688
"162946"	975.35944	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+2K-H"	76.91904
"601414"	1424.57964	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+2K-H"	76.91904
"1089208"	526.13924	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2K-H"	76.91904
"146024"	488.183358	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"2M+2K"	77.926316
"585581"	712.793458	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"3M+2K"	77.926316
"1077751"	263.573258	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2K"	77.926316
"1100992"	528.153792	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2K+H"	78.933592
"1338596"	528.241407	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+DMSO+H"	79.021207
"1007247"	532.280576	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2ACN+H"	83.060376
"1526466"	533.274208	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+IsoProp+Na+H"	84.054008
"997169"	266.643926	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+2ACN+2H"	84.067652
"1598234"	534.188828	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+K+HCOOH"	84.968628
"1427171"	564.220338	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+H+CF3COOH"	115.000138
"1162196"	287.157201	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+3ACN+2H"	125.094202
"1710288"	581.246885	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+NH4+CF3COOH"	132.026685
"1644851"	586.20228	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+Na+CF3COOH"	136.98208
"1576127"	602.17622	"C17485"	"Ignavine"	"C27H31NO5"	"449.2202"	"M+K+CF3COOH"	152.95602
"801870"	196.1338	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M"	0
"981117"	177.11541	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-H2O-H"	-19.01839
"76652"	129.748590666667	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M-3H"	-3.021828
"517307"	195.126524	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M-3H"	-3.021828
"894870"	64.3706573333333	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-3H"	-3.021828
"14780"	195.126524	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M-2H"	-2.014552
"455157"	293.193424	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M-2H"	-2.014552
"832477"	97.059624	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-2H"	-2.014552
"93108"	391.260324	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M-H"	-1.007276
"532426"	587.394124	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M-H"	-1.007276
"910595"	195.126524	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-H"	-1.007276
"56584"	408.286871	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M-2H+NH4"	16.019271
"501493"	604.420671	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M-2H+NH4"	16.019271
"877473"	212.153071	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-2H+NH4"	16.019271
"45135"	413.242266	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M-2H+Na"	20.974666
"485666"	609.376066	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M-2H+Na"	20.974666
"861767"	217.108466	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-2H+Na"	20.974666
"1633485"	217.108466	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Na-2H"	20.974666
"108920"	213.114863	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M-H+Cl"	33.962126
"545561"	311.181763	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M-H+Cl"	33.962126
"937253"	115.047963	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-H+Cl"	33.962126
"276905"	427.237002	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+Cl"	34.969402
"673337"	623.370802	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+Cl"	34.969402
"1278449"	231.103202	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Cl"	34.969402
"27567"	429.216206	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M-2H+K"	36.948606
"468955"	625.350006	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M-2H+K"	36.948606
"842744"	233.082406	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-2H+K"	36.948606
"1568422"	233.082406	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+K-2H"	36.948606
"952661"	241.131994	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-H+HCOOH"	44.998194
"370146"	437.265801	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+HCOOH-H"	44.998201
"356583"	451.281451	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+Hac-H"	59.013851
"1496303"	255.147651	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Hac-H"	59.013851
"974037"	263.113951	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-H+NaCOOH"	66.980151
"122602"	231.103202	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+2Cl"	69.938804
"557789"	329.170102	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+2Cl"	69.938804
"1030962"	133.036302	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2Cl"	69.938804
"1247260"	275.052685	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Br"	78.918885
"1311894"	277.108672	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Cl+HCOOH"	80.974872
"1329392"	299.090629	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Cl+NaCOOH"	102.956829
"926161"	309.119386	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M-H+CF3COOH"	112.985586
"1298251"	345.096064	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Cl+CF3COOH"	148.962264
"1380786"	161.121124	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H-2H2O"	-35.012676
"1395003"	179.1311	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H-H2O"	-17.0027
"293595"	393.274876	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+H"	1.007276
"689299"	589.408676	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+H"	1.007276
"1363461"	197.141076	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H"	1.007276
"136350"	197.141076	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+2H"	2.014552
"575911"	295.207976	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+2H"	2.014552
"1045807"	99.074176	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2H"	2.014552
"216868"	131.763142666667	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+3H"	3.021828
"654368"	197.141076	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+3H"	3.021828
"1171402"	66.3852093333333	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+3H"	3.021828
"434674"	410.301423	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+NH4"	18.033823
"797493"	606.435223	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+NH4"	18.033823
"1692003"	214.167623	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+NH4"	18.033823
"341372"	205.6543495	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+H+NH4"	19.041099
"729420"	303.7212495	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+H+NH4"	19.041099
"1481054"	107.5874495	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H+NH4"	19.041099
"400828"	415.256818	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+Na"	22.989218
"758543"	611.390618	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+Na"	22.989218
"1612108"	219.123018	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Na"	22.989218
"326153"	208.132047	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+H+Na"	23.996494
"716751"	306.198947	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+H+Na"	23.996494
"1472758"	110.065147	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H+Na"	23.996494
"1063813"	73.7125233333333	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2H+Na"	25.00377
"1267679"	229.167286	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+CH3OH+H"	33.033486
"385159"	431.230758	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+K"	38.963158
"751992"	627.364558	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+K"	38.963158
"1553318"	235.096958	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+K"	38.963158
"305392"	216.119017	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+H+K"	39.970434
"702188"	314.185917	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+H+K"	39.970434
"1453821"	118.052117	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H+K"	39.970434
"248620"	434.301426	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+ACN+H"	42.033826
"1219505"	238.167626	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+ACN+H"	42.033826
"1208254"	119.587451	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+ACN+2H"	43.041102
"197356"	437.23876	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+2Na-H"	44.97116
"638013"	633.37256	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+2Na-H"	44.97116
"1140427"	241.10496	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2Na-H"	44.97116
"187976"	219.123018	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+2Na"	45.978436
"627537"	317.189918	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+2Na"	45.978436
"1129700"	121.056118	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2Na"	45.978436
"1411769"	81.0398373333333	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H+2Na"	46.985712
"1438055"	243.146546	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H+HCOOH"	47.012746
"232853"	224.15604	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+3H2O+2H"	56.04448
"1522740"	257.19859	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+IsoProp+H"	61.06479
"421696"	227.109988	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+Na+K"	61.952376
"782692"	325.176888	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+Na+K"	61.952376
"1679392"	129.043088	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Na+K"	61.952376
"264819"	456.283368	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+ACN+Na"	64.015768
"1238985"	260.149568	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+ACN+Na"	64.015768
"1724229"	260.173093	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+NH4+HCOOH"	64.039293
"1192862"	88.3671513333333	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+3Na"	68.967654
"1656194"	265.128488	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Na+HCOOH"	68.994688
"160870"	469.18664	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+2K-H"	76.91904
"600065"	665.32044	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+2K-H"	76.91904
"1088588"	273.05284	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2K-H"	76.91904
"146132"	235.096958	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"2M+2K"	77.926316
"583868"	333.163858	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"3M+2K"	77.926316
"1074581"	137.030058	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2K"	77.926316
"1099922"	275.067392	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2K+H"	78.933592
"1337613"	275.155007	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+DMSO+H"	79.021207
"1006263"	279.194176	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2ACN+H"	83.060376
"1528643"	280.187808	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+IsoProp+Na+H"	84.054008
"999467"	140.100726	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+2ACN+2H"	84.067652
"1597250"	281.102428	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+K+HCOOH"	84.968628
"1428741"	311.133938	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+H+CF3COOH"	115.000138
"1160848"	160.614001	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+3ACN+2H"	125.094202
"1711129"	328.160485	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+NH4+CF3COOH"	132.026685
"1637306"	333.11588	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+Na+CF3COOH"	136.98208
"1576237"	349.08982	"C17486"	"Coryneine"	"C11H18NO2"	"196.1338"	"M+K+CF3COOH"	152.95602
"802469"	1266.5881	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M"	0
"980134"	1247.56971	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-H2O-H"	-19.01839
"76033"	843.384790666667	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M-3H"	-3.021828
"515593"	1265.580824	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M-3H"	-3.021828
"895424"	421.188757333333	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-3H"	-3.021828
"15010"	1265.580824	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M-2H"	-2.014552
"454819"	1898.874874	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M-2H"	-2.014552
"832261"	632.286774	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-2H"	-2.014552
"93219"	2532.168924	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M-H"	-1.007276
"532656"	3798.757024	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M-H"	-1.007276
"909974"	1265.580824	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-H"	-1.007276
"61188"	2549.195471	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M-2H+NH4"	16.019271
"496252"	3815.783571	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M-2H+NH4"	16.019271
"877700"	1282.607371	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-2H+NH4"	16.019271
"45245"	2554.150866	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M-2H+Na"	20.974666
"485899"	3820.738966	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M-2H+Na"	20.974666
"862241"	1287.562766	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-2H+Na"	20.974666
"1633234"	1287.562766	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Na-2H"	20.974666
"109031"	1283.569163	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M-H+Cl"	33.962126
"546035"	1916.863213	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M-H+Cl"	33.962126
"938456"	650.275113	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-H+Cl"	33.962126
"277015"	2568.145602	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+Cl"	34.969402
"670530"	3834.733702	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+Cl"	34.969402
"1280745"	1301.557502	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Cl"	34.969402
"26584"	2570.124806	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M-2H+K"	36.948606
"466148"	3836.712906	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M-2H+K"	36.948606
"839575"	1303.536706	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-2H+K"	36.948606
"1570234"	1303.536706	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+K-2H"	36.948606
"950949"	1311.586294	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-H+HCOOH"	44.998194
"371350"	2578.174401	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+HCOOH-H"	44.998201
"355234"	2592.190051	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+Hac-H"	59.013851
"1498600"	1325.601951	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Hac-H"	59.013851
"973684"	1333.568251	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-H+NaCOOH"	66.980151
"123799"	1301.557502	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+2Cl"	69.938804
"565190"	1934.851552	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+2Cl"	69.938804
"1032165"	668.263452	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2Cl"	69.938804
"1247370"	1345.506985	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Br"	78.918885
"1310911"	1347.562972	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Cl+HCOOH"	80.974872
"1331689"	1369.544929	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Cl+NaCOOH"	102.956829
"926392"	1379.573686	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M-H+CF3COOH"	112.985586
"1298362"	1415.550364	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Cl+CF3COOH"	148.962264
"1378710"	1231.575424	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H-2H2O"	-35.012676
"1395114"	1249.5854	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H-H2O"	-17.0027
"292612"	2534.183476	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+H"	1.007276
"687224"	3800.771576	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+H"	1.007276
"1361384"	1267.595376	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H"	1.007276
"135366"	1267.595376	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+2H"	2.014552
"574928"	1900.889426	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+2H"	2.014552
"1047010"	634.301326	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2H"	2.014552
"217099"	845.399342666667	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+3H"	3.021828
"654476"	1267.595376	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+3H"	3.021828
"1173336"	423.203309333333	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+3H"	3.021828
"434784"	2551.210023	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+NH4"	18.033823
"797967"	3817.798123	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+NH4"	18.033823
"1693571"	1284.621923	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+NH4"	18.033823
"337108"	1276.1086495	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+H+NH4"	19.041099
"730625"	1909.4026995	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+H+NH4"	19.041099
"1485539"	642.8145995	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H+NH4"	19.041099
"402033"	2556.165418	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+Na"	22.989218
"764120"	3822.753518	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+Na"	22.989218
"1614406"	1289.577318	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Na"	22.989218
"325535"	1278.586347	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+H+Na"	23.996494
"719048"	1911.880397	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+H+Na"	23.996494
"1474327"	645.292297	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H+Na"	23.996494
"1066110"	430.530623333333	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2H+Na"	25.00377
"1270948"	1299.621586	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+CH3OH+H"	33.033486
"389643"	2572.139358	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+K"	38.963158
"751738"	3838.727458	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+K"	38.963158
"1550149"	1305.551258	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+K"	38.963158
"306596"	1286.573317	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+H+K"	39.970434
"702299"	1919.867367	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+H+K"	39.970434
"1453931"	653.279267	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H+K"	39.970434
"246908"	2575.210026	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+ACN+H"	42.033826
"1220708"	1308.621926	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+ACN+H"	42.033826
"1205690"	654.814601	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+ACN+2H"	43.041102
"195279"	2578.14736	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+2Na-H"	44.97116
"638123"	3844.73546	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+2Na-H"	44.97116
"1140537"	1311.55926	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2Na-H"	44.97116
"187721"	1289.577318	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+2Na"	45.978436
"626794"	1922.871368	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+2Na"	45.978436
"1129570"	656.283268	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2Na"	45.978436
"1410418"	437.857937333333	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H+2Na"	46.985712
"1439256"	1313.600846	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H+HCOOH"	47.012746
"232234"	1294.61034	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+3H2O+2H"	56.04448
"1522122"	1327.65289	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+IsoProp+H"	61.06479
"422172"	1297.564288	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+Na+K"	61.952376
"783893"	1930.858338	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+Na+K"	61.952376
"1679744"	664.270238	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Na+K"	61.952376
"265539"	2597.191968	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+ACN+Na"	64.015768
"1239462"	1330.603868	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+ACN+Na"	64.015768
"1725919"	1330.627393	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+NH4+HCOOH"	64.039293
"1190786"	445.185251333333	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+3Na"	68.967654
"1654118"	1335.582788	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Na+HCOOH"	68.994688
"162073"	2610.09524	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+2K-H"	76.91904
"601636"	3876.68334	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+2K-H"	76.91904
"1085294"	1343.50714	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2K-H"	76.91904
"144784"	1305.551258	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"2M+2K"	77.926316
"583615"	1938.845308	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"3M+2K"	77.926316
"1074688"	672.257208	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2K"	77.926316
"1100487"	1345.521692	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2K+H"	78.933592
"1338816"	1345.609307	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+DMSO+H"	79.021207
"1007345"	1349.648476	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2ACN+H"	83.060376
"1528753"	1350.642108	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+IsoProp+Na+H"	84.054008
"999577"	675.327876	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+2ACN+2H"	84.067652
"1598454"	1351.556728	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+K+HCOOH"	84.968628
"1426300"	1381.588238	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+H+CF3COOH"	115.000138
"1162052"	695.841151	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+3ACN+2H"	125.094202
"1712332"	1398.614785	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+NH4+CF3COOH"	132.026685
"1637416"	1403.57018	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+Na+CF3COOH"	136.98208
"1576347"	1419.54412	"C17487"	"Platycodin C"	"C59H94O29"	"1266.5881"	"M+K+CF3COOH"	152.95602
"816312"	232.1463	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M"	0
"988630"	213.12791	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"77890"	153.756924	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"517852"	231.139024	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"895497"	76.374824	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"8801"	231.139024	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"454683"	347.212174	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"832487"	115.065874	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"92602"	463.285324	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"534025"	695.431624	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"910084"	231.139024	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"60811"	480.311871	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"500736"	712.458171	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"878541"	248.165571	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"46199"	485.267266	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"480535"	717.413566	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"863201"	253.120966	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1633464"	253.120966	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"108653"	249.127363	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"546145"	365.200513	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"936380"	133.054213	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"276032"	499.262002	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"671733"	731.408302	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1280855"	267.115702	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"26694"	501.241206	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"467348"	733.387506	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"840775"	269.094906	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1565360"	269.094906	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"951059"	277.144494	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"371460"	509.290801	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"356438"	523.306451	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1501990"	291.160151	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"971729"	299.126451	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"123910"	267.115702	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"564937"	383.188852	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1033369"	151.042552	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1246387"	311.065185	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1312115"	313.121172	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1331799"	335.103129	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"926503"	345.131886	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1297379"	381.108564	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1375540"	197.133624	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1393767"	215.1436	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"293815"	465.299876	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"686969"	697.446176	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1361495"	233.153576	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"135476"	233.153576	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"572851"	349.226726	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1040556"	117.080426	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"208456"	155.771476	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"650936"	233.153576	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1174898"	78.389376	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"437077"	482.326423	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"799536"	714.472723	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1694045"	250.180123	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"338313"	241.6668495	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"728546"	357.7399995	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1486743"	125.5936995	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"406882"	487.281818	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"767150"	719.428118	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1616702"	255.135518	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"325647"	244.144547	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"719160"	360.217697	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1474073"	128.071397	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1067317"	85.71669	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1266806"	265.179786	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"387568"	503.255758	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"749301"	735.402058	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1551716"	271.109458	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"304520"	252.131517	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"702409"	368.204667	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1459878"	136.058367	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"247019"	506.326426	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1222646"	274.180126	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1208965"	137.593701	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"198670"	509.26376	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"640421"	741.41006	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1143927"	277.11746	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"186614"	255.135518	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"627268"	371.208668	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1130777"	139.062368	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1410528"	93.044004	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1439366"	279.159046	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"232344"	260.16854	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1517126"	293.21109	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"422282"	263.122488	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"784738"	379.195638	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1679125"	147.049338	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"265037"	528.308368	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1238111"	296.162068	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1726880"	296.185593	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1189804"	100.371318	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1657511"	301.140988	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"161089"	541.21164	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"600651"	773.35794	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1089539"	309.06534	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"143073"	271.109458	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"581942"	387.182608	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1070426"	155.036308	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1103635"	311.079892	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1342209"	311.167507	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1018394"	315.206676	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1539558"	316.200308	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"997498"	158.106976	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1600386"	317.114928	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1428596"	347.146438	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1161069"	178.620251	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1711713"	364.172985	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1635702"	369.12838	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1573177"	385.10232	"C17488"	"Furanogermenone"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"816300"	234.162	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M"	0
"983636"	215.14361	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"78241"	155.100724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"517638"	233.154724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"893617"	77.046724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"8911"	233.154724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"454671"	350.235724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"832395"	116.073724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"93685"	467.316724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"532148"	701.478724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"910803"	233.154724	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"61772"	484.343271	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"501698"	718.505271	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"878648"	250.181271	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"44363"	489.298666	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"485020"	723.460666	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"862704"	255.136666	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1633209"	255.136666	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"107791"	251.143063	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"547349"	368.224063	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"935397"	134.062063	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"275046"	503.293402	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"670748"	737.455402	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1279872"	269.131402	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"26804"	505.272606	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"460896"	739.434606	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"839792"	271.110606	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1566563"	271.110606	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"950075"	279.160194	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"371570"	513.322201	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"356548"	527.337851	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1502100"	293.175851	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"973542"	301.142151	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"121468"	269.131402	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"565372"	386.212402	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1034573"	152.050402	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1254151"	313.080885	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1319637"	315.136872	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1334461"	337.118829	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"925517"	347.147586	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1295303"	383.124264	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1374557"	199.149324	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1396063"	217.1593	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"292832"	469.331276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"688174"	703.493276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1362699"	235.169276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H"	1.007276
"135586"	235.169276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"572961"	352.250276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1041030"	118.088276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"208566"	157.115276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"651046"	235.169276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1171729"	79.061276	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"437189"	486.357823	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"797461"	720.519823	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1692335"	252.195823	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"339515"	243.6825495	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"727565"	360.7635495	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1486855"	126.6015495	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"403348"	491.313218	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"765437"	725.475218	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1614626"	257.151218	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"324664"	246.160247	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"717085"	363.241247	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1471997"	129.079247	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1061961"	86.38859	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1265822"	267.195486	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"389500"	507.287158	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"745392"	741.449158	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1549631"	273.125158	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+K"	38.963158
"309002"	254.147217	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"699236"	371.228217	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1458528"	137.066217	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"247129"	510.357826	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1217653"	276.195826	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1205910"	138.601551	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"196593"	513.29516	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"639437"	747.45716	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1137477"	279.13316	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"179675"	257.151218	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"625795"	374.232218	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1129300"	140.070218	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1410638"	93.715904	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1442756"	281.174746	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"233548"	262.18424	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1522703"	295.22679	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"423611"	265.138188	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"783996"	382.219188	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1679235"	148.057188	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"265147"	532.339768	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1240533"	298.177768	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1727111"	298.201293	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1193194"	101.043218	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1659806"	303.156688	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"162293"	545.24304	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"606228"	779.40504	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1090742"	311.08104	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"142939"	273.125158	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"582742"	390.206158	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1070535"	156.044158	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1108118"	313.095592	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1345599"	313.183207	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1020448"	317.222376	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1537723"	318.216008	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"999795"	159.114826	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1599766"	319.130628	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1428703"	349.162138	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1158990"	179.628101	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1710728"	366.188685	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1635812"	371.14408	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1574380"	387.11802	"C17489"	"(4S5S)-()-Germacrone 45-epoxide"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"816748"	246.1256	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M"	0
"983746"	227.10721	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"78433"	163.076457333333	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"518367"	245.118324	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"895487"	81.0345906666667	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"14855"	245.118324	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"455476"	368.181124	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"832552"	122.055524	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"93430"	491.243924	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"534044"	737.369524	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"911080"	245.118324	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"61518"	508.270471	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"501928"	754.396071	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"878638"	262.144871	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"46294"	513.225866	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"480755"	759.351466	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"863298"	267.100266	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1633966"	267.100266	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"105712"	263.106663	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"546365"	386.169463	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"935506"	140.043863	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"272969"	527.220602	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"662109"	773.346202	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1281075"	281.095002	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"24727"	529.199806	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"463193"	775.325406	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"839900"	283.074206	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1566672"	283.074206	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"955653"	291.123794	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"374961"	537.249401	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"358847"	551.265051	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1506222"	305.139451	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"971943"	313.105751	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"120848"	281.095002	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"564548"	404.157802	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1036386"	158.032202	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1256816"	325.044485	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1319790"	327.100472	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1335603"	349.082429	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"926680"	359.111186	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1296506"	395.087864	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1374667"	211.112924	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1396173"	229.1229	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"291849"	493.258476	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"690469"	739.384076	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1365969"	247.132876	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"133513"	247.132876	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"577446"	370.195676	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1042964"	124.070076	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"214144"	165.091009333333	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"651521"	247.132876	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1174025"	83.0491426666667	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"435110"	510.285023	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"800122"	756.410623	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1693538"	264.159423	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"336344"	255.6461495	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"728768"	378.7089495	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1482589"	132.5833495	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"401268"	515.240418	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"767733"	761.366018	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1614739"	269.114818	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"324775"	258.123847	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"719381"	381.186647	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1473569"	135.061047	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1065353"	90.3764566666667	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1269215"	279.159086	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"389610"	531.214358	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"750606"	777.339958	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1546462"	285.088758	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"314060"	266.110817	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"705180"	389.173617	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1456451"	143.048017	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"245053"	534.285026	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1218856"	288.159426	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1204927"	144.583351	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"195609"	537.22236	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"635173"	783.34796	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1138680"	291.09676	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"183064"	269.114818	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"623718"	392.177618	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1129410"	146.052018	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1410748"	97.7037706666667	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1444325"	293.138346	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"235605"	274.14784	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1523545"	307.19039	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"424011"	277.101788	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"783134"	400.164588	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1679466"	154.038988	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"266598"	556.266968	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1237971"	310.141368	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1728116"	310.164893	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1192212"	105.031084666667	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1656638"	315.120288	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"165685"	569.17024	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"604154"	815.29584	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1096321"	323.04464	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"145478"	285.088758	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"585040"	408.151558	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1076114"	162.025958	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1102761"	325.059192	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1343521"	325.146807	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1015334"	329.185976	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1539462"	330.179608	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"999905"	165.096626	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1602659"	331.094228	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1427722"	361.125738	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1160195"	185.609901	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1708652"	378.152285	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1635191"	383.10768	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1574490"	399.08162	"C17490"	"Zedoarol"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"815427"	234.162	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M"	0
"980575"	215.14361	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"76475"	155.100724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"516402"	233.154724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"891649"	77.046724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"13142"	233.154724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"453067"	350.235724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"832333"	116.073724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"93420"	467.316724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"532129"	701.478724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"910296"	233.154724	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"60777"	484.343271	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"497787"	718.505271	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"872307"	250.181271	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"42396"	489.298666	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"480865"	723.460666	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"858672"	255.136666	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1631847"	255.136666	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"108739"	251.143063	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"546475"	368.224063	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"933430"	134.062063	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"271986"	503.293402	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"662219"	737.455402	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1276811"	269.131402	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"22651"	505.272606	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"460023"	739.434606	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"836001"	271.110606	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1560217"	271.110606	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"954669"	279.160194	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"369602"	513.322201	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"352390"	527.337851	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1495755"	293.175851	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"966579"	301.142151	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"113298"	269.131402	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"551763"	386.212402	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1031510"	152.050402	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1255463"	313.080885	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1319735"	315.136872	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1333585"	337.118829	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"924276"	347.147586	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1298800"	383.124264	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1378055"	199.149324	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1387896"	217.1593	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"286489"	469.331276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"689121"	703.493276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1362917"	235.169276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H"	1.007276
"135809"	235.169276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"579744"	352.250276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1040887"	118.088276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"210974"	157.115276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"652724"	235.169276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1174135"	79.061276	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"434126"	486.357823	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"796225"	720.519823	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1692555"	252.195823	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"336455"	243.6825495	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"725965"	360.7635495	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1480149"	126.6015495	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"403568"	491.313218	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"766386"	725.475218	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1611569"	257.151218	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"321605"	246.160247	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"715118"	363.241247	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1470032"	129.079247	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1064005"	86.38859	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1268961"	267.195486	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"389720"	507.287158	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"744519"	741.449158	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1544383"	273.125158	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+K"	38.963158
"311047"	254.147217	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"699457"	371.228217	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1455463"	137.066217	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"247346"	510.357826	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1218965"	276.195826	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1199933"	138.601551	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"195720"	513.29516	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"634189"	747.45716	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1136965"	279.13316	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"176245"	257.151218	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"627106"	374.232218	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1126239"	140.070218	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1410858"	93.715904	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1439695"	281.174746	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"230484"	262.18424	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1523613"	295.22679	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"422977"	265.138188	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"782515"	382.219188	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1678845"	148.057188	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"263179"	532.339768	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1240266"	298.177768	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1728183"	298.201293	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1192318"	101.043218	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1665135"	303.156688	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"172116"	545.24304	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"611798"	779.40504	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1099720"	311.08104	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"147776"	273.125158	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"589526"	390.206158	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1077318"	156.044158	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1102872"	313.095592	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1346913"	313.183207	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1015444"	317.222376	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1539848"	318.216008	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1002201"	159.114826	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1602691"	319.130628	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1429881"	349.162138	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1162371"	179.628101	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1709856"	366.188685	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1635301"	371.14408	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1574600"	387.11802	"C17491"	"13-Hydroxygermacrone"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"815901"	234.162	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M"	0
"980685"	215.14361	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"76584"	155.100724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"517731"	233.154724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"891759"	77.046724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"15323"	233.154724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"452083"	350.235724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"831471"	116.073724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"93774"	467.316724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"530538"	701.478724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"910041"	233.154724	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"61618"	484.343271	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"498990"	718.505271	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"874603"	250.181271	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"44571"	489.298666	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"480975"	723.460666	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"860603"	255.136666	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1632686"	255.136666	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"108363"	251.143063	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"546585"	368.224063	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"936820"	134.062063	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"272460"	503.293402	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"663421"	737.455402	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1276918"	269.131402	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"26041"	505.272606	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"460133"	739.434606	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"836111"	271.110606	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1560327"	271.110606	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"952591"	279.160194	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"369711"	513.322201	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"349220"	527.337851	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1494772"	293.175851	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"960491"	301.142151	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"112674"	269.131402	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"551872"	386.212402	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1030527"	152.050402	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1253387"	313.080885	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1318751"	315.136872	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1333330"	337.118829	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"924386"	347.147586	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1298910"	383.124264	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1378165"	199.149324	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1388006"	217.1593	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"287692"	469.331276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"682301"	703.493276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1361934"	235.169276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H"	1.007276
"130086"	235.169276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"578761"	352.250276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1044277"	118.088276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"208897"	157.115276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"651739"	235.169276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1169870"	79.061276	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"434236"	486.357823	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"795231"	720.519823	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1695211"	252.195823	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"334379"	243.6825495	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"732268"	360.7635495	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1484998"	126.6015495	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"403678"	491.313218	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"768683"	725.475218	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1614960"	257.151218	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"325725"	246.160247	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"717415"	363.241247	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1471965"	129.079247	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1064844"	86.38859	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1269801"	267.195486	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"388008"	507.287158	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"744629"	741.449158	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1542307"	273.125158	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+K"	38.963158
"311157"	254.147217	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"701753"	371.228217	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1455573"	137.066217	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"247456"	510.357826	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1217981"	276.195826	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1201866"	138.601551	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"196923"	513.29516	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"633933"	747.45716	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1135982"	279.13316	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"175991"	257.151218	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"623936"	374.232218	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1126350"	140.070218	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1410971"	93.715904	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1439077"	281.174746	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"229502"	262.18424	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1521213"	295.22679	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"421994"	265.138188	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"782625"	382.219188	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1677135"	148.057188	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"262561"	532.339768	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1240740"	298.177768	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1725615"	298.201293	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1192428"	101.043218	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1664515"	303.156688	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"172105"	545.24304	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"612152"	779.40504	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1099706"	311.08104	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"157078"	273.125158	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"588542"	390.206158	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1078524"	156.044158	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1104075"	313.095592	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1350671"	313.183207	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1018834"	317.222376	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1539641"	318.216008	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1004255"	159.114826	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1601192"	319.130628	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1429882"	349.162138	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1162360"	179.628101	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1708872"	366.188685	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1635778"	371.14408	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1574710"	387.11802	"C17492"	"Curcumenone"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"816377"	236.1776	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M"	0
"980795"	217.15921	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"77666"	156.444457333333	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"517475"	235.170324	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"894056"	77.7185906666667	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"13361"	235.170324	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"452193"	353.259124	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"830972"	117.081524	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"92668"	471.347924	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"532467"	707.525524	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"909908"	235.170324	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"59537"	488.374471	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"501046"	724.552071	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"875806"	252.196871	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"43708"	493.329866	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"479992"	729.507466	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"857794"	257.152266	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1629513"	257.152266	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"100574"	253.158663	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"545602"	371.247463	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"933648"	135.069863	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"273299"	507.324602	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"665353"	743.502202	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1278121"	271.147002	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"20317"	509.303806	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"461335"	745.481406	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"838044"	273.126206	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1558252"	273.126206	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"952701"	281.175794	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"372008"	517.353401	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"349330"	531.369051	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1494882"	295.191451	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"962424"	303.157751	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"111690"	271.147002	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"552100"	389.235802	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1028453"	153.058202	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1249125"	315.096485	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1315947"	317.152472	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1331255"	339.134429	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"924498"	349.163186	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1295740"	385.139864	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1374995"	201.164924	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1383864"	219.1749	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"284643"	473.362476	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"680224"	709.540076	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1362045"	237.184876	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"136028"	237.184876	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"574498"	355.273676	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1043294"	119.096076	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"209009"	158.459009333333	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"651849"	237.184876	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1168887"	79.7331426666667	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"432160"	490.389023	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"793155"	726.566623	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1696049"	254.211423	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"337770"	245.6981495	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"732380"	363.7869495	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1488388"	127.6093495	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"403788"	495.344418	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"766972"	731.522018	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1615435"	259.166818	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"324742"	248.175847	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"716433"	366.264647	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1471347"	130.087047	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1064955"	87.0604566666667	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1269911"	269.211086	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"388118"	511.318358	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"748019"	747.495958	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1541324"	275.140758	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"309810"	256.162817	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"701863"	374.251617	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1455683"	138.074017	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"246838"	514.389026	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1218091"	278.211426	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1206710"	139.609351	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"195940"	517.32636	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"634044"	753.50396	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1136092"	281.14876	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"180112"	259.166818	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"625870"	377.255618	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1127192"	141.078018	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1411081"	94.3877706666667	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1441375"	283.190346	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"232530"	264.19984	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1522905"	297.24239	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"418825"	267.153788	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"780913"	385.242588	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1677245"	149.064988	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"262671"	536.370968	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1239760"	300.193368	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1727064"	300.216893	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1192174"	101.715084666667	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1664622"	305.172288	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"171485"	549.27424	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"609950"	785.45184	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1099736"	313.09664	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"154440"	275.140758	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"588653"	393.229558	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1077540"	157.051958	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1108559"	315.111192	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1350784"	315.198807	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1016756"	319.237976	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1537069"	320.231608	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"1000234"	160.122626	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1596925"	321.146228	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1425865"	351.177738	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1161256"	180.635901	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1706797"	368.204285	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1635887"	373.15968	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1577007"	389.13362	"C17493"	"Curdione"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"816811"	218.1671	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M"	0
"980906"	199.14871	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"70242"	144.437457333333	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"518483"	217.159824	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"895437"	71.7150906666667	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"15682"	217.159824	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"455513"	326.243374	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"832631"	108.076274	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"93997"	435.326924	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"531855"	653.494024	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"910022"	217.159824	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"62536"	452.353471	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"502372"	670.520571	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"878833"	234.186371	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"45765"	457.308866	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"484472"	675.475966	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"861913"	239.141766	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1629622"	239.141766	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"100684"	235.148163	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"546805"	344.231713	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"939956"	126.064613	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"273044"	471.303602	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"663642"	689.470702	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1277140"	253.136502	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"22979"	473.282806	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"469101"	691.449906	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"839247"	255.115706	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1559819"	255.115706	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"956091"	263.165294	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"371025"	481.332401	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"352721"	495.348051	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1498274"	277.180951	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"963627"	285.147251	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"114718"	253.136502	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"552454"	362.220052	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1029655"	144.052952	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1252515"	297.085985	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1314963"	299.141972	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1331363"	321.123929	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"925701"	331.152686	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1292570"	367.129364	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1375105"	183.154424	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1391508"	201.1644	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"289007"	437.341476	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"679240"	655.508576	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1363250"	219.174376	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"139054"	219.174376	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"576433"	328.257926	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1047787"	110.090826	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"212407"	146.452009333333	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"653059"	219.174376	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1166811"	73.7296426666667	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"430080"	454.368023	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"794356"	672.535123	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1688500"	236.200923	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"342620"	227.6876495	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"733585"	336.7711995	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1490684"	118.6040995	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"408153"	459.323418	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"768174"	677.490518	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1617001"	241.156318	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"326311"	230.165347	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"720918"	339.248897	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1475831"	121.081797	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1066158"	81.0569566666667	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1270752"	251.200586	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"389321"	475.297358	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"747037"	693.464458	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1542892"	257.130258	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"314013"	238.152317	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"706926"	347.235867	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1461250"	129.068767	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"251005"	478.368026	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1224932"	260.200926	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1209135"	130.604101	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"199333"	481.30536	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"638164"	699.47246	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1141307"	263.13826	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"185693"	241.156318	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"625253"	350.239868	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1126570"	132.072768	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1409736"	88.3842706666667	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1439301"	265.179846	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"232278"	246.18934	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1522164"	279.23189	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"417841"	249.143288	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"780295"	358.226838	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1676262"	140.059738	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"263512"	500.349968	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1234769"	282.182868	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1724016"	282.206393	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1187909"	95.7115846666667	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1662546"	287.161788	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"167221"	513.25324	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"610061"	731.42034	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1098954"	295.08614	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"150297"	257.130258	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"587667"	366.213808	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1078744"	148.046708	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1108672"	297.100692	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1347244"	297.188307	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1020394"	301.227476	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1538520"	302.221108	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"998157"	151.117376	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1599951"	303.135728	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1424881"	333.167238	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1159543"	171.630651	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1704720"	350.193785	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1634253"	355.14918	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1577117"	371.12312	"C17494"	"Turmerone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"815867"	322.2144	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M"	0
"981015"	303.19601	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-H2O-H"	-19.01839
"69259"	213.802324	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M-3H"	-3.021828
"518016"	321.207124	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M-3H"	-3.021828
"886621"	106.397524	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-3H"	-3.021828
"15567"	321.207124	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M-2H"	-2.014552
"450225"	482.314324	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M-2H"	-2.014552
"829122"	160.099924	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-2H"	-2.014552
"91301"	643.421524	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M-H"	-1.007276
"532929"	965.635924	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M-H"	-1.007276
"910736"	321.207124	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-H"	-1.007276
"57570"	660.448071	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M-2H+NH4"	16.019271
"502114"	982.662471	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M-2H+NH4"	16.019271
"876026"	338.233671	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-2H+NH4"	16.019271
"43928"	665.403466	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M-2H+Na"	20.974666
"484582"	987.617866	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M-2H+Na"	20.974666
"861293"	343.189066	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-2H+Na"	20.974666
"1621712"	343.189066	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Na-2H"	20.974666
"98241"	339.195463	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M-H+Cl"	33.962126
"546915"	500.302663	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M-H+Cl"	33.962126
"940066"	178.088263	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-H+Cl"	33.962126
"274612"	679.398202	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+Cl"	34.969402
"663753"	1001.612602	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+Cl"	34.969402
"1277250"	357.183802	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Cl"	34.969402
"23088"	681.377406	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M-2H+K"	36.948606
"464838"	1003.591806	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M-2H+K"	36.948606
"836077"	359.163006	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-2H+K"	36.948606
"1560658"	359.163006	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+K-2H"	36.948606
"955108"	367.212594	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-H+HCOOH"	44.998194
"371135"	689.427001	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+HCOOH-H"	44.998201
"352831"	703.442651	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+Hac-H"	59.013851
"1498384"	381.228251	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Hac-H"	59.013851
"962644"	389.194551	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-H+NaCOOH"	66.980151
"112643"	357.183802	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+2Cl"	69.938804
"553658"	518.291002	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+2Cl"	69.938804
"1030858"	196.076602	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2Cl"	69.938804
"1249345"	401.133285	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Br"	78.918885
"1312887"	403.189272	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Cl+HCOOH"	80.974872
"1332566"	425.171229	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Cl+NaCOOH"	102.956829
"923625"	435.199986	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M-H+CF3COOH"	112.985586
"1292680"	471.176664	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Cl+CF3COOH"	148.962264
"1371932"	287.201724	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H-2H2O"	-35.012676
"1385057"	305.2117	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H-H2O"	-17.0027
"286928"	645.436076	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+H"	1.007276
"680441"	967.650476	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+H"	1.007276
"1362631"	323.221676	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H"	1.007276
"136248"	323.221676	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+2H"	2.014552
"571798"	484.328876	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+2H"	2.014552
"1048259"	162.114476	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2H"	2.014552
"207414"	215.816876	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+3H"	3.021828
"646244"	323.221676	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+3H"	3.021828
"1166919"	108.412076	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+3H"	3.021828
"430189"	662.462623	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+NH4"	18.033823
"792279"	984.677023	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+NH4"	18.033823
"1685694"	340.248223	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+NH4"	18.033823
"341271"	331.7349495	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+H+NH4"	19.041099
"732600"	492.8421495	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+H+NH4"	19.041099
"1486422"	170.6277495	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H+NH4"	19.041099
"402915"	667.418018	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+Na"	22.989218
"766094"	989.632418	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+Na"	22.989218
"1617108"	345.203618	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Na"	22.989218
"326419"	334.212647	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+H+Na"	23.996494
"719934"	495.319847	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+H+Na"	23.996494
"1473755"	173.105447	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H+Na"	23.996494
"1065539"	115.73939	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2H+Na"	25.00377
"1270861"	355.247886	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+CH3OH+H"	33.033486
"389432"	683.391958	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+K"	38.963158
"751520"	1005.606358	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+K"	38.963158
"1542636"	361.177558	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+K"	38.963158
"313309"	342.199617	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+H+K"	39.970434
"706100"	503.306817	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+H+K"	39.970434
"1459918"	181.092417	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H+K"	39.970434
"249978"	686.462626	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+ACN+H"	42.033826
"1224756"	364.248226	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+ACN+H"	42.033826
"1207301"	182.627751	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+ACN+2H"	43.041102
"197255"	689.39996	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+2Na-H"	44.97116
"638638"	1011.61436	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+2Na-H"	44.97116
"1135949"	367.18556	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2Na-H"	44.97116
"183614"	345.203618	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+2Na"	45.978436
"624998"	506.310818	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+2Na"	45.978436
"1126680"	184.096418	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2Na"	45.978436
"1411665"	123.066704	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H+2Na"	46.985712
"1443417"	369.227146	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H+HCOOH"	47.012746
"232021"	350.23664	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+3H2O+2H"	56.04448
"1520450"	383.27919	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+IsoProp+H"	61.06479
"419773"	353.190588	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+Na+K"	61.952376
"781134"	514.297788	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+Na+K"	61.952376
"1676736"	192.083388	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Na+K"	61.952376
"261800"	708.444568	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+ACN+Na"	64.015768
"1232327"	386.230168	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+ACN+Na"	64.015768
"1723031"	386.253693	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+NH4+HCOOH"	64.039293
"1187289"	130.394018	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+3Na"	68.967654
"1661197"	391.209088	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Na+HCOOH"	68.994688
"167330"	721.34784	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+2K-H"	76.91904
"607985"	1043.56224	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+2K-H"	76.91904
"1095778"	399.13344	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2K-H"	76.91904
"154660"	361.177558	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"2M+2K"	77.926316
"587781"	522.284758	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"3M+2K"	77.926316
"1074479"	200.070358	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2K"	77.926316
"1106594"	401.147992	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2K+H"	78.933592
"1346259"	401.235607	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+DMSO+H"	79.021207
"1019164"	405.274776	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2ACN+H"	83.060376
"1537289"	406.268408	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+IsoProp+Na+H"	84.054008
"998268"	203.141026	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+2ACN+2H"	84.067652
"1598968"	407.183028	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+K+HCOOH"	84.968628
"1424991"	437.214538	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+H+CF3COOH"	115.000138
"1158559"	223.654301	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+3ACN+2H"	125.094202
"1699363"	454.241085	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+NH4+CF3COOH"	132.026685
"1634364"	459.19648	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+Na+CF3COOH"	136.98208
"1577227"	475.17042	"C17495"	"8-Gingerol;(8)-Gingerol"	"C19H30O4"	"322.2144"	"M+K+CF3COOH"	152.95602
"816341"	350.2457	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M"	0
"981125"	331.22731	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-H2O-H"	-19.01839
"72649"	232.489857333333	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M-3H"	-3.021828
"517315"	349.238424	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M-3H"	-3.021828
"887824"	115.741290666667	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-3H"	-3.021828
"15353"	349.238424	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M-2H"	-2.014552
"450335"	524.361274	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M-2H"	-2.014552
"828139"	174.115574	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-2H"	-2.014552
"93235"	699.484124	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M-H"	-1.007276
"533160"	1049.729824	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M-H"	-1.007276
"910478"	349.238424	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-H"	-1.007276
"59867"	716.510671	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M-2H+NH4"	16.019271
"500522"	1066.756371	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M-2H+NH4"	16.019271
"876136"	366.264971	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-2H+NH4"	16.019271
"45741"	721.466066	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M-2H+Na"	20.974666
"484571"	1071.711766	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M-2H+Na"	20.974666
"860675"	371.220366	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-2H+Na"	20.974666
"1622186"	371.220366	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Na-2H"	20.974666
"98351"	367.226763	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M-H+Cl"	33.962126
"547025"	542.349613	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M-H+Cl"	33.962126
"940176"	192.103913	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-H+Cl"	33.962126
"274722"	735.460802	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+Cl"	34.969402
"662041"	1085.706502	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+Cl"	34.969402
"1275538"	385.215102	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Cl"	34.969402
"23198"	737.440006	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M-2H+K"	36.948606
"466041"	1087.685706	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M-2H+K"	36.948606
"837280"	387.194306	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-2H+K"	36.948606
"1560768"	387.194306	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+K-2H"	36.948606
"956312"	395.243894	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-H+HCOOH"	44.998194
"374525"	745.489601	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+HCOOH-H"	44.998201
"352941"	759.505251	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+Hac-H"	59.013851
"1500681"	409.259551	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Hac-H"	59.013851
"966034"	417.225851	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-H+NaCOOH"	66.980151
"111660"	385.215102	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+2Cl"	69.938804
"552312"	560.337952	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+2Cl"	69.938804
"1032062"	210.092252	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2Cl"	69.938804
"1250548"	429.164585	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Br"	78.918885
"1312997"	431.220572	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Cl+HCOOH"	80.974872
"1330490"	453.202529	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Cl+NaCOOH"	102.956829
"920456"	463.231286	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M-H+CF3COOH"	112.985586
"1291696"	499.207964	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Cl+CF3COOH"	148.962264
"1372043"	315.233024	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H-2H2O"	-35.012676
"1388447"	333.243	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H-H2O"	-17.0027
"288131"	701.498676	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+H"	1.007276
"680551"	1051.744376	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+H"	1.007276
"1363469"	351.252976	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H"	1.007276
"133078"	351.252976	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+2H"	2.014552
"571544"	526.375826	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+2H"	2.014552
"1046910"	176.130126	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2H"	2.014552
"207524"	234.504409333333	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+3H"	3.021828
"646354"	351.252976	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+3H"	3.021828
"1165936"	117.755842666667	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+3H"	3.021828
"430299"	718.525223	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+NH4"	18.033823
"793482"	1068.770923	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+NH4"	18.033823
"1685440"	368.279523	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+NH4"	18.033823
"340289"	359.7662495	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+H+NH4"	19.041099
"734897"	534.8890995	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+H+NH4"	19.041099
"1489445"	184.6433995	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H+NH4"	19.041099
"405209"	723.480618	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+Na"	22.989218
"765112"	1073.726318	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+Na"	22.989218
"1616489"	373.234918	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Na"	22.989218
"327622"	362.243947	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+H+Na"	23.996494
"720773"	537.366797	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+H+Na"	23.996494
"1475928"	187.121097	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H+Na"	23.996494
"1065649"	125.083156666667	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2H+Na"	25.00377
"1268420"	383.279186	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+CH3OH+H"	33.033486
"384075"	739.454558	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+K"	38.963158
"749444"	1089.700258	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+K"	38.963158
"1540926"	389.208858	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+K"	38.963158
"313663"	370.230917	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+H+K"	39.970434
"704752"	545.353767	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+H+K"	39.970434
"1460029"	195.108067	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H+K"	39.970434
"250698"	742.525226	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+ACN+H"	42.033826
"1222798"	392.279526	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+ACN+H"	42.033826
"1208504"	196.643401	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+ACN+2H"	43.041102
"196272"	745.46256	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+2Na-H"	44.97116
"639112"	1095.70826	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+2Na-H"	44.97116
"1138242"	395.21686	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2Na-H"	44.97116
"185548"	373.234918	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+2Na"	45.978436
"622922"	548.357768	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+2Na"	45.978436
"1126062"	198.112068	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2Na"	45.978436
"1408495"	132.410470666667	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H+2Na"	46.985712
"1441341"	397.258446	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H+HCOOH"	47.012746
"230672"	378.26794	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+3H2O+2H"	56.04448
"1519828"	411.31049	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+IsoProp+H"	61.06479
"416597"	381.221888	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+Na+K"	61.952376
"778687"	556.344738	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+Na+K"	61.952376
"1675020"	206.099038	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Na+K"	61.952376
"260447"	764.507168	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+ACN+Na"	64.015768
"1234623"	414.261468	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+ACN+Na"	64.015768
"1724236"	414.284993	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+NH4+HCOOH"	64.039293
"1187400"	139.737784666667	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+3Na"	68.967654
"1661668"	419.240388	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Na+HCOOH"	68.994688
"166343"	777.41044	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+2K-H"	76.91904
"609184"	1127.65614	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+2K-H"	76.91904
"1097831"	427.16474	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2K-H"	76.91904
"153798"	389.208858	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"2M+2K"	77.926316
"596639"	564.331708	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"3M+2K"	77.926316
"1075683"	214.086008	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2K"	77.926316
"1104516"	429.179292	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2K+H"	78.933592
"1345276"	429.266907	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+DMSO+H"	79.021207
"1014899"	433.306076	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2ACN+H"	83.060376
"1536305"	434.299708	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+IsoProp+Na+H"	84.054008
"999472"	217.156676	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+2ACN+2H"	84.067652
"1598349"	435.214328	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+K+HCOOH"	84.968628
"1425101"	465.245838	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+H+CF3COOH"	115.000138
"1158669"	237.669951	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+3ACN+2H"	125.094202
"1698744"	482.272385	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+NH4+CF3COOH"	132.026685
"1635124"	487.22778	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+Na+CF3COOH"	136.98208
"1577337"	503.20172	"C17496"	"(10)-Gingerol"	"C21H34O4"	"350.2457"	"M+K+CF3COOH"	152.95602
"816087"	194.0943	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M"	0
"981235"	175.07591	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-H2O-H"	-19.01839
"72759"	128.388924	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M-3H"	-3.021828
"515601"	193.087024	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M-3H"	-3.021828
"887934"	63.690824	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-3H"	-3.021828
"11979"	193.087024	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M-2H"	-2.014552
"450445"	290.134174	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M-2H"	-2.014552
"828249"	96.039874	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-2H"	-2.014552
"92861"	387.181324	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M-H"	-1.007276
"532907"	581.275624	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M-H"	-1.007276
"907794"	193.087024	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-H"	-1.007276
"60949"	404.207871	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M-2H+NH4"	16.019271
"500632"	598.302171	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M-2H+NH4"	16.019271
"876246"	210.113571	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-2H+NH4"	16.019271
"45608"	409.163266	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M-2H+Na"	20.974666
"484438"	603.257566	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M-2H+Na"	20.974666
"860420"	215.068966	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-2H+Na"	20.974666
"1622296"	215.068966	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Na-2H"	20.974666
"96638"	211.075363	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M-H+Cl"	33.962126
"543855"	308.122513	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M-H+Cl"	33.962126
"937370"	114.028213	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-H+Cl"	33.962126
"271186"	423.158002	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+Cl"	34.969402
"661663"	617.252302	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+Cl"	34.969402
"1274913"	229.063702	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Cl"	34.969402
"17839"	425.137206	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M-2H+K"	36.948606
"457514"	619.231506	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M-2H+K"	36.948606
"833862"	231.042906	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-2H+K"	36.948606
"1557957"	231.042906	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+K-2H"	36.948606
"952045"	239.092494	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-H+HCOOH"	44.998194
"369169"	433.186801	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+HCOOH-H"	44.998201
"353051"	447.202451	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+Hac-H"	59.013851
"1504071"	253.108151	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Hac-H"	59.013851
"961771"	261.074451	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-H+NaCOOH"	66.980151
"110349"	229.063702	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+2Cl"	69.938804
"552057"	326.110852	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+2Cl"	69.938804
"1033265"	132.016552	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2Cl"	69.938804
"1252845"	273.013185	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Br"	78.918885
"1313105"	275.069172	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Cl+HCOOH"	80.974872
"1331693"	297.051129	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Cl+NaCOOH"	102.956829
"922752"	307.079886	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M-H+CF3COOH"	112.985586
"1290713"	343.056564	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Cl+CF3COOH"	148.962264
"1369966"	159.081624	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H-2H2O"	-35.012676
"1388557"	177.0916	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H-H2O"	-17.0027
"287148"	389.195876	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+H"	1.007276
"680661"	583.290176	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+H"	1.007276
"1363579"	195.101576	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H"	1.007276
"133188"	195.101576	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+2H"	2.014552
"571654"	292.148726	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+2H"	2.014552
"1047020"	98.054426	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2H"	2.014552
"207270"	130.403476	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+3H"	3.021828
"645736"	195.101576	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+3H"	3.021828
"1166046"	65.705376	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+3H"	3.021828
"430409"	406.222423	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+NH4"	18.033823
"794685"	600.316723	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+NH4"	18.033823
"1685550"	212.128123	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+NH4"	18.033823
"337120"	203.6148495	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+H+NH4"	19.041099
"730633"	300.6619995	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+H+NH4"	19.041099
"1482269"	106.5676995	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H+NH4"	19.041099
"399854"	411.177818	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+Na"	22.989218
"758664"	605.272118	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+Na"	22.989218
"1610040"	217.083518	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Na"	22.989218
"323356"	206.092547	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+H+Na"	23.996494
"714683"	303.139697	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+H+Na"	23.996494
"1472512"	109.045397	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H+Na"	23.996494
"1063571"	73.03269	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2H+Na"	25.00377
"1267072"	227.127786	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+CH3OH+H"	33.033486
"381998"	427.151758	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+K"	38.963158
"744087"	621.246058	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+K"	38.963158
"1540306"	233.057458	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+K"	38.963158
"310975"	214.079517	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+H+K"	39.970434
"704133"	311.126667	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+H+K"	39.970434
"1457223"	117.032367	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H+K"	39.970434
"249712"	430.222426	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+ACN+H"	42.033826
"1223273"	236.128126	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+ACN+H"	42.033826
"1205695"	118.567701	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+ACN+2H"	43.041102
"195290"	433.15976	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+2Na-H"	44.97116
"639219"	627.25406	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+2Na-H"	44.97116
"1139445"	239.06546	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2Na-H"	44.97116
"183832"	217.083518	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+2Na"	45.978436
"624487"	314.130668	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+2Na"	45.978436
"1119242"	120.036368	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2Na"	45.978436
"1410062"	80.360004	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H+2Na"	46.985712
"1442910"	241.107046	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H+HCOOH"	47.012746
"231511"	222.11654	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+3H2O+2H"	56.04448
"1519210"	255.15909	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+IsoProp+H"	61.06479
"413425"	225.070488	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+Na+K"	61.952376
"776608"	322.117638	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+Na+K"	61.952376
"1677316"	128.023338	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Na+K"	61.952376
"263108"	452.204368	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+ACN+Na"	64.015768
"1236555"	258.110068	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+ACN+Na"	64.015768
"1725439"	258.133593	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+NH4+HCOOH"	64.039293
"1186417"	87.687318	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+3Na"	68.967654
"1661778"	263.088988	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Na+HCOOH"	68.994688
"167546"	465.10764	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+2K-H"	76.91904
"610023"	659.20194	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+2K-H"	76.91904
"1097941"	271.01334	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2K-H"	76.91904
"153908"	233.057458	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"2M+2K"	77.926316
"595656"	330.104608	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"3M+2K"	77.926316
"1076886"	136.010308	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2K"	77.926316
"1109002"	273.027892	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2K+H"	78.933592
"1347572"	273.115507	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+DMSO+H"	79.021207
"1015009"	277.154676	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2ACN+H"	83.060376
"1537507"	278.148308	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+IsoProp+Na+H"	84.054008
"1000675"	139.080976	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+2ACN+2H"	84.067652
"1598458"	279.062928	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+K+HCOOH"	84.968628
"1426304"	309.094438	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+H+CF3COOH"	115.000138
"1158779"	159.594251	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+3ACN+2H"	125.094202
"1698490"	326.120985	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+NH4+CF3COOH"	132.026685
"1634342"	331.07638	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+Na+CF3COOH"	136.98208
"1577447"	347.05032	"C17497"	"Zingerone;Zingiberone;Vanillylacetone;0-Paradol"	"C11H14O3"	"194.0943"	"M+K+CF3COOH"	152.95602
"815104"	318.2195	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M"	0
"981345"	299.20111	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"71776"	211.139057333333	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"514618"	317.212224	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"889138"	105.065890666667	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"12089"	317.212224	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"447275"	476.321974	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"827266"	158.102474	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"91631"	635.431724	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"530098"	953.651224	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"908993"	317.212224	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"57900"	652.458271	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"497462"	970.677771	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"873076"	334.238771	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"44258"	657.413666	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"483819"	975.633166	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"858343"	339.194166	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1622406"	339.194166	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"97477"	335.200563	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"543964"	494.310313	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"936387"	176.090813	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"274943"	671.408402	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"669552"	989.627902	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1278674"	353.188902	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"17585"	673.387606	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"458603"	991.607106	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"834947"	355.168106	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1557340"	355.168106	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"955803"	363.217694	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"371468"	681.437201	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"359360"	695.452851	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1503088"	377.233351	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"964067"	385.199651	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"114069"	353.188902	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"550590"	512.298652	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1035930"	194.079152	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1249675"	397.138385	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1314309"	399.194372	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1332897"	421.176329	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"921768"	431.205086	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1297385"	467.181764	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1379195"	283.206824	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1390857"	301.2168	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"289448"	637.446276	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"687340"	955.665776	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1363690"	319.226776	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"137674"	319.226776	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"577234"	478.336526	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1049315"	160.117026	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"211755"	213.153609333333	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"654595"	319.226776	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1169436"	107.080442666667	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"428697"	654.472823	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"790423"	972.692323	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1686756"	336.253323	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"335044"	327.7400495	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"729650"	486.8497995	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1484564"	168.6302995	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"401059"	659.428218	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"758774"	977.647718	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1612339"	341.208718	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"322373"	330.217747	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"715887"	489.327497	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1471893"	171.107997	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1062950"	114.407756666667	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1267546"	351.252986	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"386484"	675.402158	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"746385"	993.621658	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1541873"	357.182658	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"311454"	338.204717	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"702787"	497.314467	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1458427"	179.094967	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"248120"	678.472826	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1222654"	360.253326	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1206898"	180.630301	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"200500"	681.41016	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"641150"	999.62966	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1136274"	363.19066	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"180662"	341.208718	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"620223"	500.318468	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1119352"	182.098968	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1410901"	121.735070666667	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1440464"	365.232246	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"233804"	346.24174	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1520408"	379.28429	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"421188"	349.195688	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"777808"	508.305438	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1676325"	190.085938	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"262853"	700.454768	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1235561"	382.235268	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1723358"	382.258793	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1185433"	129.062384666667	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1661888"	387.214188	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"167656"	713.35804	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"609404"	1031.57754	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1097200"	395.13854	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"155110"	357.182658	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"594671"	516.292408	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1081371"	198.072908	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1111299"	397.153092	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1348775"	397.240707	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1016212"	401.279876	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1537617"	402.273508	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"999691"	201.143576	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1595287"	403.188128	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1419852"	433.219638	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1154514"	221.656851	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1701880"	450.246185	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1640812"	455.20158	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1577557"	471.17552	"C17498"	"Galanolactone;()-Galanolactone"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"816678"	354.1467	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M"	0
"984735"	335.12831	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-H2O-H"	-19.01839
"75166"	235.090524	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M-3H"	-3.021828
"515821"	353.139424	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M-3H"	-3.021828
"892528"	117.041624	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-3H"	-3.021828
"12199"	353.139424	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M-2H"	-2.014552
"448479"	530.212774	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M-2H"	-2.014552
"827376"	176.066074	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-2H"	-2.014552
"87368"	707.286124	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M-H"	-1.007276
"528020"	1061.432824	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M-H"	-1.007276
"906917"	353.139424	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-H"	-1.007276
"60927"	724.312671	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M-2H+NH4"	16.019271
"496479"	1078.459371	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M-2H+NH4"	16.019271
"873186"	370.165971	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-2H+NH4"	16.019271
"44368"	729.268066	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M-2H+Na"	20.974666
"478461"	1083.414766	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M-2H+Na"	20.974666
"856262"	375.121366	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-2H+Na"	20.974666
"1624338"	375.121366	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Na-2H"	20.974666
"97586"	371.127763	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M-H+Cl"	33.962126
"539700"	548.201113	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M-H+Cl"	33.962126
"940871"	194.054413	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-H+Cl"	33.962126
"276148"	743.262802	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+Cl"	34.969402
"669662"	1097.409502	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+Cl"	34.969402
"1282067"	389.116102	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Cl"	34.969402
"25717"	745.242006	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M-2H+K"	36.948606
"461997"	1099.388706	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M-2H+K"	36.948606
"833474"	391.095306	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-2H+K"	36.948606
"1558181"	391.095306	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+K-2H"	36.948606
"954819"	399.144894	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-H+HCOOH"	44.998194
"371577"	753.291601	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+HCOOH-H"	44.998201
"358377"	767.307251	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+Hac-H"	59.013851
"1498824"	413.160551	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Hac-H"	59.013851
"960168"	421.126851	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-H+NaCOOH"	66.980151
"114179"	389.116102	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+2Cl"	69.938804
"551552"	566.189452	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+2Cl"	69.938804
"1035312"	212.042752	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2Cl"	69.938804
"1254159"	433.065585	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Br"	78.918885
"1315514"	435.121572	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Cl+HCOOH"	80.974872
"1331913"	457.103529	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Cl+NaCOOH"	102.956829
"924794"	467.132286	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M-H+CF3COOH"	112.985586
"1298591"	503.108964	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Cl+CF3COOH"	148.962264
"1378577"	319.134024	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H-2H2O"	-35.012676
"1392060"	337.144	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H-H2O"	-17.0027
"288465"	709.300676	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+H"	1.007276
"687450"	1063.447376	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+H"	1.007276
"1363802"	355.153976	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H"	1.007276
"135597"	355.153976	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+2H"	2.014552
"577344"	532.227326	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+2H"	2.014552
"1046514"	178.080626	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2H"	2.014552
"210768"	237.105076	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+3H"	3.021828
"651421"	355.153976	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+3H"	3.021828
"1172827"	119.056176	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+3H"	3.021828
"432818"	726.327223	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+NH4"	18.033823
"791629"	1080.473923	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+NH4"	18.033823
"1685774"	372.180523	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+NH4"	18.033823
"341715"	363.6672495	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+H+NH4"	19.041099
"733770"	540.7405995	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+H+NH4"	19.041099
"1485769"	186.5938995	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H+NH4"	19.041099
"402264"	731.282618	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+Na"	22.989218
"765446"	1085.429318	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+Na"	22.989218
"1615731"	377.135918	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Na"	22.989218
"325765"	366.144947	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+H+Na"	23.996494
"717093"	543.218297	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+H+Na"	23.996494
"1472004"	189.071597	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H+Na"	23.996494
"1061970"	126.38349	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2H+Na"	25.00377
"1264742"	387.180186	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+CH3OH+H"	33.033486
"388781"	747.256558	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+K"	38.963158
"745402"	1101.403258	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+K"	38.963158
"1542350"	393.109858	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+K"	38.963158
"311198"	374.131917	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+H+K"	39.970434
"704354"	551.205267	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+H+K"	39.970434
"1460358"	197.058567	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H+K"	39.970434
"249322"	750.327226	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+ACN+H"	42.033826
"1224588"	396.180526	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+ACN+H"	42.033826
"1207983"	198.593901	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+ACN+2H"	43.041102
"202795"	753.26456	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+2Na-H"	44.97116
"640530"	1107.41126	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+2Na-H"	44.97116
"1139664"	399.11786	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2Na-H"	44.97116
"180772"	377.135918	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+2Na"	45.978436
"621426"	554.209268	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+2Na"	45.978436
"1118733"	200.062568	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2Na"	45.978436
"1400802"	133.710804	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H+2Na"	46.985712
"1431458"	401.159446	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H+HCOOH"	47.012746
"226986"	382.16894	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+3H2O+2H"	56.04448
"1517235"	415.21149	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+IsoProp+H"	61.06479
"418015"	385.122888	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+Na+K"	61.952376
"774637"	562.196238	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+Na+K"	61.952376
"1674247"	208.049538	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Na+K"	61.952376
"263692"	772.309168	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+ACN+Na"	64.015768
"1237493"	418.162468	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+ACN+Na"	64.015768
"1720185"	418.185993	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+NH4+HCOOH"	64.039293
"1187729"	141.038118	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+3Na"	68.967654
"1658717"	423.141388	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Na+HCOOH"	68.994688
"168859"	785.21244	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+2K-H"	76.91904
"611824"	1139.35914	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+2K-H"	76.91904
"1099012"	431.06574	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2K-H"	76.91904
"157020"	393.109858	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"2M+2K"	77.926316
"595998"	570.183208	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"3M+2K"	77.926316
"1083062"	216.036508	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2K"	77.926316
"1113960"	433.080292	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2K+H"	78.933592
"1349857"	433.167907	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+DMSO+H"	79.021207
"1018508"	437.207076	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2ACN+H"	83.060376
"1539784"	438.200708	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+IsoProp+Na+H"	84.054008
"999799"	219.107176	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+2ACN+2H"	84.067652
"1598677"	439.115328	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+K+HCOOH"	84.968628
"1422149"	469.146838	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+H+CF3COOH"	115.000138
"1151343"	239.620451	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+3ACN+2H"	125.094202
"1705270"	486.173385	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+NH4+CF3COOH"	132.026685
"1639829"	491.12878	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+Na+CF3COOH"	136.98208
"1577667"	507.10272	"C17499"	"Notopterol"	"C21H22O5"	"354.1467"	"M+K+CF3COOH"	152.95602
"816897"	107.0371	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M"	0
"988126"	88.01871	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-H2O-H"	-19.01839
"76734"	70.3507906666667	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M-3H"	-3.021828
"518355"	106.029824	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M-3H"	-3.021828
"893370"	34.6717573333333	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-3H"	-3.021828
"14497"	106.029824	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M-2H"	-2.014552
"454058"	159.548374	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M-2H"	-2.014552
"830766"	52.511274	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-2H"	-2.014552
"88571"	213.066924	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M-H"	-1.007276
"527037"	320.104024	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M-H"	-1.007276
"907027"	106.029824	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-H"	-1.007276
"59214"	230.093471	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M-2H+NH4"	16.019271
"497682"	337.130571	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M-2H+NH4"	16.019271
"873296"	123.056371	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-2H+NH4"	16.019271
"41198"	235.048866	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M-2H+Na"	20.974666
"478935"	342.085966	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M-2H+Na"	20.974666
"859652"	128.011766	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-2H+Na"	20.974666
"1627000"	128.011766	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Na-2H"	20.974666
"96968"	124.018163	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M-H+Cl"	33.962126
"538351"	177.536713	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M-H+Cl"	33.962126
"941710"	70.499613	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-H+Cl"	33.962126
"277351"	249.043602	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+Cl"	34.969402
"668678"	356.080702	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+Cl"	34.969402
"1285457"	142.006502	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Cl"	34.969402
"28014"	251.022806	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M-2H+K"	36.948606
"463200"	358.059906	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M-2H+K"	36.948606
"834440"	143.985706	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-2H+K"	36.948606
"1557927"	143.985706	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+K-2H"	36.948606
"955293"	152.035294	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-H+HCOOH"	44.998194
"372780"	259.072401	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+HCOOH-H"	44.998201
"357393"	273.088051	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+Hac-H"	59.013851
"1501120"	166.050951	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Hac-H"	59.013851
"962101"	174.017251	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-H+NaCOOH"	66.980151
"115747"	142.006502	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+2Cl"	69.938804
"553849"	195.525052	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+2Cl"	69.938804
"1029209"	88.487952	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2Cl"	69.938804
"1247695"	185.955985	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Br"	78.918885
"1318905"	188.011972	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Cl+HCOOH"	80.974872
"1334210"	209.993929	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Cl+NaCOOH"	102.956829
"924904"	220.022686	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M-H+CF3COOH"	112.985586
"1300886"	255.999364	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Cl+CF3COOH"	148.962264
"1380140"	72.024424	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H-2H2O"	-35.012676
"1396543"	90.0344	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H-H2O"	-17.0027
"292948"	215.081476	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+H"	1.007276
"688653"	322.118576	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+H"	1.007276
"1363914"	108.044376	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H"	1.007276
"134616"	108.044376	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+2H"	2.014552
"577091"	161.562926	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+2H"	2.014552
"1045168"	54.525826	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2H"	2.014552
"210879"	72.3653426666667	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+3H"	3.021828
"652628"	108.044376	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+3H"	3.021828
"1172938"	36.6863093333333	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+3H"	3.021828
"436209"	232.108023	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+NH4"	18.033823
"793926"	339.145123	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+NH4"	18.033823
"1688071"	125.070923	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+NH4"	18.033823
"339639"	116.5576495	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+H+NH4"	19.041099
"734245"	170.0761995	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+H+NH4"	19.041099
"1486972"	63.0390995	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H+NH4"	19.041099
"404562"	237.063418	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+Na"	22.989218
"766649"	344.100518	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+Na"	22.989218
"1617542"	130.026318	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Na"	22.989218
"326969"	119.035347	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+H+Na"	23.996494
"720483"	172.553897	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+H+Na"	23.996494
"1473210"	65.516797	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H+Na"	23.996494
"1064267"	44.0136233333333	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2H+Na"	25.00377
"1264853"	140.070586	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+CH3OH+H"	33.033486
"388526"	253.037358	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+K"	38.963158
"746605"	360.074458	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+K"	38.963158
"1542824"	146.000258	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+K"	38.963158
"310944"	127.022317	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+H+K"	39.970434
"704822"	180.540867	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+H+K"	39.970434
"1458645"	73.503767	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H+K"	39.970434
"247245"	256.108026	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+ACN+H"	42.033826
"1225348"	149.070926	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+ACN+H"	42.033826
"1207121"	75.039101	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+ACN+2H"	43.041102
"201082"	259.04536	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+2Na-H"	44.97116
"639547"	366.08246	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+2Na-H"	44.97116
"1139774"	152.00826	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2Na-H"	44.97116
"179789"	130.026318	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+2Na"	45.978436
"622629"	183.544868	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+2Na"	45.978436
"1120666"	76.507768	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2Na"	45.978436
"1400182"	51.3409373333333	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H+2Na"	46.985712
"1432661"	154.049846	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H+HCOOH"	47.012746
"224909"	135.05934	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+3H2O+2H"	56.04448
"1514065"	168.10189	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+IsoProp+H"	61.06479
"418125"	138.013288	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+Na+K"	61.952376
"775841"	191.531838	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+Na+K"	61.952376
"1671078"	84.494738	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Na+K"	61.952376
"261974"	278.089968	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+ACN+Na"	64.015768
"1235779"	171.052868	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+ACN+Na"	64.015768
"1724670"	171.076393	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+NH4+HCOOH"	64.039293
"1191121"	58.6682513333333	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+3Na"	68.967654
"1658827"	176.031788	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Na+HCOOH"	68.994688
"163500"	290.99324	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+2K-H"	76.91904
"603061"	398.03034	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+2K-H"	76.91904
"1093042"	183.95614	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2K-H"	76.91904
"152049"	146.000258	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"2M+2K"	77.926316
"593795"	199.518808	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"3M+2K"	77.926316
"1081588"	92.481708	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2K"	77.926316
"1114192"	185.970692	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2K+H"	78.933592
"1350212"	186.058307	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+DMSO+H"	79.021207
"1015340"	190.097476	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2ACN+H"	83.060376
"1535652"	191.091108	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+IsoProp+Na+H"	84.054008
"1002097"	95.552376	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+2ACN+2H"	84.067652
"1598788"	192.005728	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+K+HCOOH"	84.968628
"1422259"	222.037238	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+H+CF3COOH"	115.000138
"1154734"	116.065651	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+3ACN+2H"	125.094202
"1705380"	239.063785	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+NH4+CF3COOH"	132.026685
"1641032"	244.01918	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+Na+CF3COOH"	136.98208
"1584338"	259.99312	"C17500"	"6-Iminocyclohexa-24-dienone;12-Benzoquinone monoimine"	"C6H5NO"	"107.0371"	"M+K+CF3COOH"	152.95602
"811423"	218.1671	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M"	0
"981675"	199.14871	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"74292"	144.437457333333	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"517133"	217.159824	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"892750"	71.7150906666667	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"13514"	217.159824	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"454168"	326.243374	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"829783"	108.076274	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"87588"	435.326924	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"529334"	653.494024	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"906044"	217.159824	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"58231"	452.353471	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"496699"	670.520571	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"875593"	234.186371	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"42404"	457.308866	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"480870"	675.475966	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"855392"	239.141766	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1624558"	239.141766	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"96714"	235.148163	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"537368"	344.231713	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"939633"	126.064613	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"277461"	471.303602	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"667695"	689.470702	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1286660"	253.136502	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"29217"	473.282806	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"467684"	691.449906	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"837830"	255.115706	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1556214"	255.115706	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"955039"	263.165294	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"372890"	481.332401	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"357503"	495.348051	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1501230"	277.180951	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"962211"	285.147251	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"114399"	253.136502	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"550921"	362.220052	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1024946"	144.052952	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1245619"	297.085985	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1317918"	299.141972	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1333227"	321.123929	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"922098"	331.152686	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1297716"	367.129364	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1379156"	183.154424	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1395559"	201.1644	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"293058"	437.341476	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"688762"	655.508576	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1362930"	219.174376	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"134724"	219.174376	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"574286"	328.257926	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1046371"	110.090826	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"208804"	146.452009333333	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"650552"	219.174376	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1170863"	73.7296426666667	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"428669"	454.368023	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"792940"	672.535123	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1685995"	236.200923	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"339747"	227.6876495	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"733263"	336.7711995	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1489268"	118.6040995	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"406858"	459.323418	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"767853"	677.490518	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1615950"	241.156318	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"328539"	230.165347	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"721686"	339.248897	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1473320"	121.081797	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1066564"	81.0569566666667	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1268242"	251.200586	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"386815"	475.297358	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"746716"	693.464458	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1546581"	257.130258	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"312147"	238.152317	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"703839"	347.235867	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1458755"	129.068767	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"248448"	478.368026	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1223349"	260.200926	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1208324"	130.604101	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"201192"	481.30536	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"639657"	699.47246	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1138791"	263.13826	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"176982"	241.156318	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"618365"	350.239868	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1124058"	132.072768	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1407581"	88.3842706666667	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1440790"	265.179846	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"228298"	246.18934	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1513080"	279.23189	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"412767"	249.143288	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"780325"	358.226838	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1671188"	140.059738	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"259898"	500.349968	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1234794"	282.182868	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1723686"	282.206393	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1187946"	95.7115846666667	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1658937"	287.161788	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"166892"	513.25324	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"603171"	731.42034	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1093152"	295.08614	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"155439"	257.130258	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"590624"	366.213808	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1080604"	148.046708	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1114543"	297.100692	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1348009"	297.188307	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1017636"	301.227476	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1536856"	302.221108	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1002208"	151.117376	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1599991"	303.135728	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1420182"	333.167238	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1153751"	171.630651	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1705489"	350.193785	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1641142"	355.14918	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1584448"	371.12312	"C17501"	"Cyperotundone;Cyperenone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"811533"	252.1725	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M"	0
"981785"	233.15411	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-H2O-H"	-19.01839
"74402"	167.107724	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M-3H"	-3.021828
"516150"	251.165224	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M-3H"	-3.021828
"892496"	83.050224	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-3H"	-3.021828
"13503"	251.165224	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M-2H"	-2.014552
"454522"	377.251474	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M-2H"	-2.014552
"829893"	125.078974	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-2H"	-2.014552
"88791"	503.337724	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M-H"	-1.007276
"529444"	755.510224	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M-H"	-1.007276
"905061"	251.165224	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-H"	-1.007276
"56154"	520.364271	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M-2H+NH4"	16.019271
"494623"	772.536771	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M-2H+NH4"	16.019271
"873516"	268.191771	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-2H+NH4"	16.019271
"42514"	525.319666	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M-2H+Na"	20.974666
"478794"	777.492166	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M-2H+Na"	20.974666
"853314"	273.147166	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-2H+Na"	20.974666
"1622117"	273.147166	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Na-2H"	20.974666
"96096"	269.153563	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M-H+Cl"	33.962126
"536750"	395.239813	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M-H+Cl"	33.962126
"939014"	143.067313	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-H+Cl"	33.962126
"275385"	539.314402	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+Cl"	34.969402
"666712"	791.486902	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+Cl"	34.969402
"1278022"	287.141902	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Cl"	34.969402
"23860"	541.293606	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M-2H+K"	36.948606
"464514"	793.466106	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M-2H+K"	36.948606
"835753"	289.121106	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-2H+K"	36.948606
"1555915"	289.121106	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+K-2H"	36.948606
"956242"	297.170694	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-H+HCOOH"	44.998194
"373000"	549.343201	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+HCOOH-H"	44.998201
"358706"	563.358851	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+Hac-H"	59.013851
"1501340"	311.186351	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Hac-H"	59.013851
"962321"	319.152651	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-H+NaCOOH"	66.980151
"113416"	287.141902	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+2Cl"	69.938804
"550789"	413.228152	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+2Cl"	69.938804
"1026149"	161.055652	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2Cl"	69.938804
"1246822"	331.091385	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Br"	78.918885
"1314744"	333.147372	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Cl+HCOOH"	80.974872
"1331145"	355.129329	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Cl+NaCOOH"	102.956829
"921110"	365.158086	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M-H+CF3COOH"	112.985586
"1296728"	401.134764	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Cl+CF3COOH"	148.962264
"1379266"	217.159824	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H-2H2O"	-35.012676
"1394576"	235.1698	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H-H2O"	-17.0027
"293170"	505.352276	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+H"	1.007276
"688508"	757.524776	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+H"	1.007276
"1363040"	253.179776	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H"	1.007276
"138481"	253.179776	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+2H"	2.014552
"576947"	379.266026	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+2H"	2.014552
"1045387"	127.093526	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2H"	2.014552
"211100"	169.122276	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+3H"	3.021828
"655033"	253.179776	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+3H"	3.021828
"1169877"	85.064776	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+3H"	3.021828
"432056"	522.378823	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+NH4"	18.033823
"788676"	774.551323	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+NH4"	18.033823
"1689384"	270.206323	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+NH4"	18.033823
"337669"	261.6930495	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+H+NH4"	19.041099
"732279"	387.7792995	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+H+NH4"	19.041099
"1489378"	135.6067995	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H+NH4"	19.041099
"403687"	527.334218	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+Na"	22.989218
"768692"	779.506718	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+Na"	22.989218
"1616060"	275.161718	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Na"	22.989218
"328407"	264.170747	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+H+Na"	23.996494
"720582"	390.256997	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+H+Na"	23.996494
"1474523"	138.084497	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H+Na"	23.996494
"1065580"	92.39209	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2H+Na"	25.00377
"1268351"	285.205986	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+CH3OH+H"	33.033486
"386923"	543.308158	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+K"	38.963158
"749741"	795.480658	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+K"	38.963158
"1547784"	291.135658	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+K"	38.963158
"312621"	272.157717	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+H+K"	39.970434
"705042"	398.243967	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+H+K"	39.970434
"1457405"	146.071467	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H+K"	39.970434
"250020"	546.378826	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+ACN+H"	42.033826
"1224187"	294.206326	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+ACN+H"	42.033826
"1206977"	147.606801	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+ACN+2H"	43.041102
"200938"	549.31616	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+2Na-H"	44.97116
"637580"	801.48866	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+2Na-H"	44.97116
"1139994"	297.14366	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2Na-H"	44.97116
"178915"	275.161718	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+2Na"	45.978436
"618475"	401.247968	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+2Na"	45.978436
"1120887"	149.075468	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2Na"	45.978436
"1404411"	99.719404	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H+2Na"	46.985712
"1435433"	299.185246	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H+HCOOH"	47.012746
"227314"	280.19474	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+3H2O+2H"	56.04448
"1513190"	313.23729	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+IsoProp+H"	61.06479
"412509"	283.148688	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+Na+K"	61.952376
"774967"	409.234938	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+Na+K"	61.952376
"1670204"	157.062438	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Na+K"	61.952376
"261098"	568.360768	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+ACN+Na"	64.015768
"1234904"	316.188268	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+ACN+Na"	64.015768
"1722700"	316.211793	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+NH4+HCOOH"	64.039293
"1189149"	107.046718	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+3Na"	68.967654
"1659045"	321.167188	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Na+HCOOH"	68.994688
"167002"	581.26404	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+2K-H"	76.91904
"602187"	833.43654	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+2K-H"	76.91904
"1093262"	329.09154	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2K-H"	76.91904
"154457"	291.135658	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"2M+2K"	77.926316
"592921"	417.221908	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"3M+2K"	77.926316
"1080714"	165.049408	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2K"	77.926316
"1113923"	331.106092	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2K+H"	78.933592
"1350919"	331.193707	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+DMSO+H"	79.021207
"1017746"	335.232876	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2ACN+H"	83.060376
"1535874"	336.226508	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+IsoProp+Na+H"	84.054008
"1004629"	168.120076	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+2ACN+2H"	84.067652
"1600101"	337.141128	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+K+HCOOH"	84.968628
"1421385"	367.172638	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+H+CF3COOH"	115.000138
"1154954"	188.633351	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+3ACN+2H"	125.094202
"1705599"	384.199185	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+NH4+CF3COOH"	132.026685
"1646720"	389.15458	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+Na+CF3COOH"	136.98208
"1584558"	405.12852	"C17502"	"Sugetriol"	"C15H24O3"	"252.1725"	"M+K+CF3COOH"	152.95602
"811643"	300.0998	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M"	0
"988098"	281.08141	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-H2O-H"	-19.01839
"76701"	199.059257333333	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M-3H"	-3.021828
"515900"	299.092524	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M-3H"	-3.021828
"891878"	99.0259906666667	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-3H"	-3.021828
"13007"	299.092524	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M-2H"	-2.014552
"452201"	449.142424	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M-2H"	-2.014552
"830006"	149.042624	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-2H"	-2.014552
"91091"	599.192324	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M-H"	-1.007276
"533207"	899.292124	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M-H"	-1.007276
"908453"	299.092524	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-H"	-1.007276
"61008"	616.218871	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M-2H+NH4"	16.019271
"500809"	916.318671	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M-2H+NH4"	16.019271
"875817"	316.119071	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-2H+NH4"	16.019271
"40436"	621.174266	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M-2H+Na"	20.974666
"475256"	921.274066	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M-2H+Na"	20.974666
"850870"	321.074466	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-2H+Na"	20.974666
"1621498"	321.074466	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Na-2H"	20.974666
"96206"	317.080863	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M-H+Cl"	33.962126
"536860"	467.130763	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M-H+Cl"	33.962126
"938760"	167.030963	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-H+Cl"	33.962126
"275495"	635.169002	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+Cl"	34.969402
"666822"	935.268802	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+Cl"	34.969402
"1279226"	335.069202	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Cl"	34.969402
"23970"	637.148206	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M-2H+K"	36.948606
"464624"	937.248006	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M-2H+K"	36.948606
"838051"	337.048406	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-2H+K"	36.948606
"1560443"	337.048406	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+K-2H"	36.948606
"954533"	345.097994	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-H+HCOOH"	44.998194
"372017"	645.197801	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+HCOOH-H"	44.998201
"353714"	659.213451	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+Hac-H"	59.013851
"1499263"	359.113651	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Hac-H"	59.013851
"961337"	367.079951	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-H+NaCOOH"	66.980151
"113526"	335.069202	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+2Cl"	69.938804
"550899"	485.119102	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+2Cl"	69.938804
"1028446"	185.019302	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2Cl"	69.938804
"1248026"	379.018685	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Br"	78.918885
"1312668"	381.074672	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Cl+HCOOH"	80.974872
"1329069"	403.056629	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Cl+NaCOOH"	102.956829
"919032"	413.085386	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M-H+CF3COOH"	112.985586
"1296838"	449.062064	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Cl+CF3COOH"	148.962264
"1369532"	265.087124	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H-2H2O"	-35.012676
"1389219"	283.0971	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H-H2O"	-17.0027
"289998"	601.206876	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+H"	1.007276
"684610"	901.306676	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+H"	1.007276
"1363148"	301.107076	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H"	1.007276
"132756"	301.107076	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+2H"	2.014552
"572317"	451.156976	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+2H"	2.014552
"1049138"	151.057176	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2H"	2.014552
"213397"	201.073809333333	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+3H"	3.021828
"656236"	301.107076	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+3H"	3.021828
"1173267"	101.040542666667	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+3H"	3.021828
"434353"	618.233423	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+NH4"	18.033823
"792065"	918.333223	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+NH4"	18.033823
"1689494"	318.133623	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+NH4"	18.033823
"344221"	309.6203495	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+H+NH4"	19.041099
"735672"	459.6702495	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+H+NH4"	19.041099
"1489490"	159.5704495	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H+NH4"	19.041099
"404891"	623.188818	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+Na"	22.989218
"769292"	923.288618	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+Na"	22.989218
"1617142"	323.089018	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Na"	22.989218
"326206"	312.098047	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+H+Na"	23.996494
"719720"	462.147947	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+H+Na"	23.996494
"1473540"	162.048147	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H+Na"	23.996494
"1067154"	108.367856666667	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2H+Na"	25.00377
"1271990"	333.133286	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+CH3OH+H"	33.033486
"392140"	639.162758	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+K"	38.963158
"749124"	939.262558	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+K"	38.963158
"1554466"	339.062958	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+K"	38.963158
"311643"	320.085017	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+H+K"	39.970434
"704427"	470.134917	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+H+K"	39.970434
"1459952"	170.035117	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H+K"	39.970434
"247581"	642.233426	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+ACN+H"	42.033826
"1222477"	342.133626	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+ACN+H"	42.033826
"1204171"	171.570451	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+ACN+2H"	43.041102
"194853"	645.17076	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+2Na-H"	44.97116
"636601"	945.27056	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+2Na-H"	44.97116
"1142295"	345.07096	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2Na-H"	44.97116
"176108"	323.089018	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+2Na"	45.978436
"614208"	473.138918	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+2Na"	45.978436
"1118808"	173.039118	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2Na"	45.978436
"1404521"	115.695170666667	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H+2Na"	46.985712
"1439920"	347.112546	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H+HCOOH"	47.012746
"229615"	328.12204	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+3H2O+2H"	56.04448
"1512209"	361.16459	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+IsoProp+H"	61.06479
"416999"	331.075988	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+Na+K"	61.952376
"775079"	481.125888	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+Na+K"	61.952376
"1672503"	181.026088	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Na+K"	61.952376
"261576"	664.215368	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+ACN+Na"	64.015768
"1233557"	364.115568	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+ACN+Na"	64.015768
"1721717"	364.139093	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+NH4+HCOOH"	64.039293
"1187070"	123.022484666667	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+3Na"	68.967654
"1658061"	369.094488	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Na+HCOOH"	68.994688
"163830"	677.11864	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+2K-H"	76.91904
"601568"	977.21844	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+2K-H"	76.91904
"1093372"	377.01884	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2K-H"	76.91904
"155537"	339.062958	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"2M+2K"	77.926316
"596071"	489.112858	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"3M+2K"	77.926316
"1082648"	189.013058	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2K"	77.926316
"1107473"	379.033392	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2K+H"	78.933592
"1349935"	379.121007	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+DMSO+H"	79.021207
"1019681"	383.160176	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2ACN+H"	83.060376
"1537927"	384.153808	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+IsoProp+Na+H"	84.054008
"1003521"	192.083726	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+2ACN+2H"	84.067652
"1601304"	385.068428	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+K+HCOOH"	84.968628
"1428790"	415.099938	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+H+CF3COOH"	115.000138
"1161628"	212.597001	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+3ACN+2H"	125.094202
"1711175"	432.126485	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+NH4+CF3COOH"	132.026685
"1638081"	437.08188	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+Na+CF3COOH"	136.98208
"1584668"	453.05582	"C17503"	"Cnidilin;Isophellopterin"	"C17H16O5"	"300.0998"	"M+K+CF3COOH"	152.95602
"816946"	234.162	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M"	0
"988568"	215.14361	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"73533"	155.100724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"516374"	233.154724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"891988"	77.046724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"13846"	233.154724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"451217"	350.235724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"826834"	116.073724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"91201"	467.316724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"532707"	701.478724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"908563"	233.154724	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"59654"	484.343271	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"498123"	718.505271	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"877020"	250.181271	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"40546"	489.298666	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"474272"	723.460666	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"851709"	255.136666	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1622701"	255.136666	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"96680"	251.143063	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"537698"	368.224063	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"939963"	134.062063	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"277791"	503.293402	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"665838"	737.455402	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1279336"	269.131402	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"22987"	505.272606	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"461454"	739.434606	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"838161"	271.110606	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1559461"	271.110606	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"955005"	279.160194	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"368845"	513.322201	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"353822"	527.337851	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1498644"	293.175851	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"961811"	301.142151	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"112906"	269.131402	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"550196"	386.212402	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1027463"	152.050402	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1250323"	313.080885	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1312774"	315.136872	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1323709"	337.118829	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"919142"	347.147586	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1296948"	383.124264	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1369642"	199.149324	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1387143"	217.1593	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"291201"	469.331276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"686906"	703.493276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1359976"	235.169276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H"	1.007276
"129582"	235.169276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"571331"	352.250276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1043415"	118.088276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"209131"	157.115276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"655252"	235.169276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1173377"	79.061276	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"435556"	486.357823	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"792175"	720.519823	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1692883"	252.195823	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"340077"	243.6825495	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"736511"	360.7635495	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1490693"	126.6015495	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"402815"	491.313218	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"767089"	725.475218	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1616279"	257.151218	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"327408"	246.160247	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"720922"	363.241247	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1473649"	129.079247	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1067624"	86.38859	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1271733"	267.195486	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"392212"	507.287158	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"749232"	741.449158	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1554574"	273.125158	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+K"	38.963158
"311024"	254.147217	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"704171"	371.228217	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1459448"	137.066217	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"249873"	510.357826	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1223309"	276.195826	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1206468"	138.601551	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"193870"	513.29516	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"638899"	747.45716	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1141312"	279.13316	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"173664"	257.151218	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"613588"	374.232218	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1119284"	140.070218	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1404633"	93.715904	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1434563"	281.174746	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"225350"	262.18424	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1510493"	295.22679	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"410180"	265.138188	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"771175"	382.219188	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1668232"	148.057188	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"255122"	532.339768	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1230019"	298.177768	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1720734"	298.201293	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1185000"	101.043218	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1657080"	303.156688	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"161754"	545.24304	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"600949"	779.40504	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1093482"	311.08104	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"156257"	273.125158	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"596749"	390.206158	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1079841"	156.044158	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1113538"	313.095592	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1350165"	313.183207	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1019789"	317.222376	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1538276"	318.216008	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1003630"	159.114826	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1602717"	319.130628	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1427073"	349.162138	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1161370"	179.628101	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1705820"	366.188685	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1638191"	371.14408	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1584778"	387.11802	"C17504"	"Sugeonol"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"816117"	204.1878	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M"	0
"989044"	185.16941	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"74736"	135.117924	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516484"	203.180524	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"893191"	67.055324	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"15049"	203.180524	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452420"	305.274424	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"826944"	101.086624	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91310"	407.368324	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532817"	611.556124	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"907580"	203.180524	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"58671"	424.394871	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"492761"	628.582671	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878223"	220.207071	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37376"	429.350266	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"472925"	633.538066	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856921"	225.162466	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619895"	225.162466	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96790"	221.168863	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"537444"	323.262763	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930595"	119.074963	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"274620"	443.345002	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"661085"	647.532802	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1276165"	239.157202	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"24190"	445.324206	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"461563"	649.512006	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"834989"	241.136406	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1559570"	241.136406	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"952928"	249.185994	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368955"	453.373801	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"350652"	467.389451	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1498754"	263.201651	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"961921"	271.167951	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"113379"	239.157202	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"552940"	341.251102	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1027573"	137.063302	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252620"	283.106685	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1312884"	285.162672	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1323819"	307.144629	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"918159"	317.173386	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1297058"	353.150064	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1370480"	169.175124	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1388346"	187.1851	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"290218"	409.382876	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"686288"	613.570676	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356806"	205.195076	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H"	1.007276
"131883"	205.195076	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"568888"	307.288976	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1042063"	103.101176	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"210336"	137.132476	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"654269"	205.195076	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1170207"	69.069876	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"434574"	426.409423	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"789006"	630.597223	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691900"	222.221623	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345379"	213.7083495	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737919"	315.8022495	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492265"	111.6144495	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"405840"	431.364818	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"769594"	635.552618	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1618138"	227.177018	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"327156"	216.186047	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"721884"	318.279947	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1474854"	114.092147	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1065912"	76.39719	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1270507"	237.221286	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"389443"	447.338758	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"747156"	651.526558	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1553225"	243.150958	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+K"	38.963158
"313683"	224.173017	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"705374"	326.266917	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1459923"	122.079117	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"250590"	450.409426	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222690"	246.221626	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209459"	123.614451	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"198354"	453.34676	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"641195"	657.53456	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1141421"	249.15896	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"174870"	227.177018	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"616617"	329.270918	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1120124"	125.083118	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1402556"	83.724504	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1439046"	251.200546	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"224367"	232.21004	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510238"	265.25259	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"410287"	235.163988	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"770557"	337.257888	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1666884"	133.070088	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253409"	472.391368	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230859"	268.203568	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720844"	268.227093	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1185109"	91.051818	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659377"	273.182488	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161864"	485.29464	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"604705"	689.48244	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1092499"	281.10684	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"156489"	243.150958	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"596698"	345.244858	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1081044"	141.057058	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1113159"	283.121392	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1350884"	283.209007	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1019167"	287.248176	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1536199"	288.241808	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1002646"	144.127726	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600433"	289.156428	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424997"	319.187938	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1160751"	164.641001	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1709210"	336.214485	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638301"	341.16988	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1584888"	357.14382	"C17505"	"Cyperene;(-)-Cyperene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"815254"	276.1725	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M"	0
"989479"	257.15411	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-H2O-H"	-19.01839
"68286"	183.107724	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M-3H"	-3.021828
"511127"	275.165224	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M-3H"	-3.021828
"893301"	91.050224	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-3H"	-3.021828
"9691"	275.165224	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M-2H"	-2.014552
"444876"	413.251474	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M-2H"	-2.014552
"824866"	137.078974	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-2H"	-2.014552
"84858"	551.337724	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M-H"	-1.007276
"527700"	827.510224	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M-H"	-1.007276
"904407"	275.165224	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-H"	-1.007276
"52219"	568.364271	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M-2H+NH4"	16.019271
"489954"	844.536771	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M-2H+NH4"	16.019271
"871773"	292.191771	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-2H+NH4"	16.019271
"35297"	573.319666	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M-2H+Na"	20.974666
"476314"	849.492166	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M-2H+Na"	20.974666
"851198"	297.147166	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-2H+Na"	20.974666
"1618743"	297.147166	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Na-2H"	20.974666
"94752"	293.153563	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M-H+Cl"	33.962126
"537190"	431.239813	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M-H+Cl"	33.962126
"930705"	155.067313	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-H+Cl"	33.962126
"274730"	587.314402	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+Cl"	34.969402
"661074"	863.486902	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+Cl"	34.969402
"1283930"	311.141902	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Cl"	34.969402
"24300"	589.293606	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M-2H+K"	36.948606
"460580"	865.466106	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M-2H+K"	36.948606
"838380"	313.121106	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-2H+K"	36.948606
"1560774"	313.121106	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+K-2H"	36.948606
"947569"	321.170694	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-H+HCOOH"	44.998194
"370888"	597.343201	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+HCOOH-H"	44.998201
"352947"	611.358851	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+Hac-H"	59.013851
"1497405"	335.186351	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Hac-H"	59.013851
"960937"	343.152651	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-H+NaCOOH"	66.980151
"110690"	311.141902	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+2Cl"	69.938804
"550253"	449.228152	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+2Cl"	69.938804
"1026589"	173.055652	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2Cl"	69.938804
"1247263"	355.091385	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Br"	78.918885
"1311901"	357.147372	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Cl+HCOOH"	80.974872
"1323929"	379.129329	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Cl+NaCOOH"	102.956829
"919361"	389.158086	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M-H+CF3COOH"	112.985586
"1294252"	425.134764	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Cl+CF3COOH"	148.962264
"1370590"	241.159824	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H-2H2O"	-35.012676
"1384076"	259.1698	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H-H2O"	-17.0027
"292516"	553.352276	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+H"	1.007276
"683846"	829.524776	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+H"	1.007276
"1360196"	277.179776	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H"	1.007276
"131993"	277.179776	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+2H"	2.014552
"568634"	415.266026	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+2H"	2.014552
"1039622"	139.093526	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2H"	2.014552
"208256"	185.122276	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+3H"	3.021828
"653284"	277.179776	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+3H"	3.021828
"1167036"	93.064776	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+3H"	3.021828
"432495"	570.378823	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+NH4"	18.033823
"790209"	846.551323	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+NH4"	18.033823
"1688727"	294.206323	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+NH4"	18.033823
"344553"	285.6930495	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+H+NH4"	19.041099
"737456"	423.7792995	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+H+NH4"	19.041099
"1489816"	147.6067995	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H+NH4"	19.041099
"408525"	575.334218	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+Na"	22.989218
"769902"	851.506718	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+Na"	22.989218
"1618370"	299.161718	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Na"	22.989218
"329701"	288.170747	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+H+Na"	23.996494
"721508"	426.256997	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+H+Na"	23.996494
"1475330"	150.084497	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H+Na"	23.996494
"1067115"	100.39209	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2H+Na"	25.00377
"1270617"	309.205986	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+CH3OH+H"	33.033486
"389553"	591.308158	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+K"	38.963158
"747266"	867.480658	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+K"	38.963158
"1553700"	315.135658	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+K"	38.963158
"312700"	296.157717	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+H+K"	39.970434
"703663"	434.243967	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+H+K"	39.970434
"1458940"	158.071467	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H+K"	39.970434
"250944"	594.378826	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+ACN+H"	42.033826
"1222800"	318.206326	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+ACN+H"	42.033826
"1209120"	159.606801	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+ACN+2H"	43.041102
"198464"	597.31616	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+2Na-H"	44.97116
"638390"	873.48866	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+2Na-H"	44.97116
"1142626"	321.14366	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2Na-H"	44.97116
"174252"	299.161718	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+2Na"	45.978436
"614417"	437.247968	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+2Na"	45.978436
"1121327"	161.075468	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2Na"	45.978436
"1402666"	107.719404	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H+2Na"	46.985712
"1439156"	323.185246	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H+HCOOH"	47.012746
"223384"	304.19474	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+3H2O+2H"	56.04448
"1509622"	337.23729	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+IsoProp+H"	61.06479
"408943"	307.148688	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+Na+K"	61.952376
"772126"	445.234938	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+Na+K"	61.952376
"1671730"	169.062438	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Na+K"	61.952376
"252791"	616.360768	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+ACN+Na"	64.015768
"1230603"	340.188268	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+ACN+Na"	64.015768
"1714022"	340.211793	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+NH4+HCOOH"	64.039293
"1183025"	115.046718	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+3Na"	68.967654
"1655113"	345.167188	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Na+HCOOH"	68.994688
"163067"	629.26404	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+2K-H"	76.91904
"604815"	905.43654	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+2K-H"	76.91904
"1091515"	353.09154	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2K-H"	76.91904
"155869"	315.135658	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"2M+2K"	77.926316
"596279"	453.221908	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"3M+2K"	77.926316
"1080060"	177.049408	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2K"	77.926316
"1113269"	355.106092	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2K+H"	78.933592
"1351291"	355.193707	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+DMSO+H"	79.021207
"1019277"	359.232876	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2ACN+H"	83.060376
"1538863"	360.226508	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+IsoProp+Na+H"	84.054008
"1005189"	180.120076	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+2ACN+2H"	84.067652
"1602654"	361.141128	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+K+HCOOH"	84.968628
"1428387"	391.172638	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+H+CF3COOH"	115.000138
"1159769"	200.633351	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+3ACN+2H"	125.094202
"1706039"	408.199185	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+NH4+CF3COOH"	132.026685
"1638411"	413.15458	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+Na+CF3COOH"	136.98208
"1581718"	429.12852	"C17506"	"Sugeonyl acetate"	"C17H24O3"	"276.1725"	"M+K+CF3COOH"	152.95602
"816895"	492.1995	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M"	0
"985620"	473.18111	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-H2O-H"	-19.01839
"73863"	327.125724	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M-3H"	-3.021828
"511237"	491.192224	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M-3H"	-3.021828
"891956"	163.059224	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-3H"	-3.021828
"13079"	491.192224	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M-2H"	-2.014552
"453732"	737.291974	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M-2H"	-2.014552
"826070"	245.092474	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-2H"	-2.014552
"84968"	983.391724	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M-H"	-1.007276
"529997"	1475.591224	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M-H"	-1.007276
"905611"	491.192224	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-H"	-1.007276
"51236"	1000.418271	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M-2H+NH4"	16.019271
"490428"	1492.617771	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M-2H+NH4"	16.019271
"875164"	508.218771	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-2H+NH4"	16.019271
"36866"	1005.373666	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M-2H+Na"	20.974666
"473141"	1497.573166	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M-2H+Na"	20.974666
"853861"	513.174166	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-2H+Na"	20.974666
"1620476"	513.174166	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Na-2H"	20.974666
"95186"	509.180563	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M-H+Cl"	33.962126
"539488"	755.280313	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M-H+Cl"	33.962126
"933003"	263.080813	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-H+Cl"	33.962126
"273748"	1019.368402	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+Cl"	34.969402
"660818"	1511.567902	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+Cl"	34.969402
"1284040"	527.168902	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Cl"	34.969402
"23317"	1021.347606	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M-2H+K"	36.948606
"460690"	1513.547106	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M-2H+K"	36.948606
"834116"	529.148106	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-2H+K"	36.948606
"1560883"	529.148106	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+K-2H"	36.948606
"952052"	537.197694	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-H+HCOOH"	44.998194
"369175"	1029.397201	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+HCOOH-H"	44.998201
"351964"	1043.412851	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+Hac-H"	59.013851
"1497515"	551.213351	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Hac-H"	59.013851
"961046"	559.179651	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-H+NaCOOH"	66.980151
"111777"	527.168902	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+2Cl"	69.938804
"552793"	773.268652	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+2Cl"	69.938804
"1025606"	281.069152	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2Cl"	69.938804
"1247373"	571.118385	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Br"	78.918885
"1312011"	573.174372	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Cl+HCOOH"	80.974872
"1325132"	595.156329	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Cl+NaCOOH"	102.956829
"919471"	605.185086	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M-H+CF3COOH"	112.985586
"1296185"	641.161764	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Cl+CF3COOH"	148.962264
"1369972"	457.186824	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H-2H2O"	-35.012676
"1383131"	475.1968	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H-H2O"	-17.0027
"283506"	985.406276	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+H"	1.007276
"681769"	1477.605776	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+H"	1.007276
"1359213"	493.206776	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H"	1.007276
"134289"	493.206776	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+2H"	2.014552
"568379"	739.306526	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+2H"	2.014552
"1039369"	247.107026	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2H"	2.014552
"205080"	329.140276	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+3H"	3.021828
"647925"	493.206776	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+3H"	3.021828
"1166052"	165.073776	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+3H"	3.021828
"432607"	1002.432823	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+NH4"	18.033823
"789226"	1494.632323	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+NH4"	18.033823
"1684099"	510.233323	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+NH4"	18.033823
"344056"	501.7200495	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+H+NH4"	19.041099
"736108"	747.8197995	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+H+NH4"	19.041099
"1490655"	255.6202995	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H+NH4"	19.041099
"408253"	1007.388218	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+Na"	22.989218
"769245"	1499.587718	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+Na"	22.989218
"1618071"	515.188718	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Na"	22.989218
"329690"	504.197747	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+H+Na"	23.996494
"722351"	750.297497	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+H+Na"	23.996494
"1476902"	258.097997	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H+Na"	23.996494
"1067226"	172.40109	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2H+Na"	25.00377
"1271092"	525.232986	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+CH3OH+H"	33.033486
"388571"	1023.362158	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+K"	38.963158
"747376"	1515.561658	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+K"	38.963158
"1554174"	531.162658	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+K"	38.963158
"314026"	512.184717	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+H+K"	39.970434
"706933"	758.284467	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+H+K"	39.970434
"1459414"	266.084967	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H+K"	39.970434
"250568"	1026.432826	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+ACN+H"	42.033826
"1221817"	534.233326	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+ACN+H"	42.033826
"1208741"	267.620301	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+ACN+2H"	43.041102
"195295"	1029.37016	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+2Na-H"	44.97116
"641053"	1521.56966	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+2Na-H"	44.97116
"1144559"	537.17066	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2Na-H"	44.97116
"178373"	515.188718	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+2Na"	45.978436
"614653"	761.288468	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+2Na"	45.978436
"1121439"	269.088968	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2Na"	45.978436
"1406056"	179.728404	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H+2Na"	46.985712
"1439995"	539.212246	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H+HCOOH"	47.012746
"223858"	520.22174	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+3H2O+2H"	56.04448
"1514835"	553.26429	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+IsoProp+H"	61.06479
"413428"	523.175688	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+Na+K"	61.952376
"772236"	769.275438	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+Na+K"	61.952376
"1671841"	277.075938	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Na+K"	61.952376
"256548"	1048.414768	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+ACN+Na"	64.015768
"1228891"	556.215268	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+ACN+Na"	64.015768
"1714127"	556.238793	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+NH4+HCOOH"	64.039293
"1182042"	187.055718	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+3Na"	68.967654
"1656316"	561.194188	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Na+HCOOH"	68.994688
"168646"	1061.31804	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+2K-H"	76.91904
"610394"	1553.51754	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+2K-H"	76.91904
"1096001"	569.11854	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2K-H"	76.91904
"155005"	531.162658	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"2M+2K"	77.926316
"591286"	777.262408	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"3M+2K"	77.926316
"1077984"	285.062908	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2K"	77.926316
"1105726"	571.133092	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2K+H"	78.933592
"1348671"	571.220707	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+DMSO+H"	79.021207
"1019389"	575.259876	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2ACN+H"	83.060376
"1538606"	576.253508	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+IsoProp+Na+H"	84.054008
"996308"	288.133576	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+2ACN+2H"	84.067652
"1594091"	577.168128	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+K+HCOOH"	84.968628
"1426311"	607.199638	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+H+CF3COOH"	115.000138
"1159881"	308.646851	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+3ACN+2H"	125.094202
"1708337"	624.226185	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+NH4+CF3COOH"	132.026685
"1642897"	629.18158	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+Na+CF3COOH"	136.98208
"1581828"	645.15552	"C17507"	"Palmatoside G"	"C25H32O10"	"492.1995"	"M+K+CF3COOH"	152.95602
"802472"	358.1416	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M"	0
"989006"	339.12321	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"78106"	237.753790666667	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"518030"	357.134324	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"894250"	118.373257333333	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"13189"	357.134324	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"453478"	536.205124	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"826180"	178.063524	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"86171"	715.275924	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"529014"	1073.417524	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"905721"	357.134324	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"52439"	732.302471	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"490538"	1090.444071	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"875274"	374.160871	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"37705"	737.257866	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"473251"	1095.399466	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"853971"	379.116266	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1620222"	379.116266	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"94972"	375.122663	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"540691"	554.193463	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"933113"	196.051863	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"274951"	751.252602	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"660563"	1109.394202	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1280870"	393.111002	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"17960"	753.231806	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"457520"	1111.373406	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"836412"	395.090206	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1563179"	395.090206	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"947788"	403.139794	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"367097"	761.281401	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"349885"	775.297051	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1495800"	417.155451	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"960793"	425.121751	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"111884"	393.111002	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"552538"	572.181802	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1023529"	214.040202	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1247483"	437.060485	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1311027"	439.116472	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1325242"	461.098429	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"919581"	471.127186	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1296294"	507.103864	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1368258"	323.128924	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1384048"	341.1389	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"284342"	717.290476	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"682971"	1075.432076	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1361510"	359.148876	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"136221"	359.148876	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"567760"	538.219676	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1041665"	180.078076	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"206288"	239.768342666667	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"648035"	359.148876	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1166162"	120.387809333333	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"432717"	734.317023	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"790429"	1092.458623	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1686760"	376.175423	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"342704"	367.6621495	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"735855"	546.7329495	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1490765"	188.5913495	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"405435"	739.272418	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"769479"	1097.414018	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1617453"	381.130818	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"329763"	370.139847	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"721371"	549.210647	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1476164"	191.069047	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1065758"	127.715123333333	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1269744"	391.175086	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"387952"	755.246358	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"746393"	1113.387958	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1552461"	397.104758	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"312559"	378.126817	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"705709"	557.197617	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1459524"	199.056017	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"250679"	758.317026	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1220834"	400.175426	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1208001"	200.591351	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"199780"	761.25436	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"640070"	1119.39596	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1143938"	403.11276	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"184676"	381.130818	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"615856"	560.201618	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1124829"	202.060018	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1410905"	135.042437333333	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1440471"	405.154346	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"223604"	386.16384	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1513852"	419.20639	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"413538"	389.117788	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"773439"	568.188588	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1669036"	210.046988	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"254108"	780.298968	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1226087"	422.157368	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1713267"	422.180893	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1182152"	142.369751333333	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1664083"	427.136288	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"171673"	793.20224	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"609413"	1151.34384	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1098299"	435.06064	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"155114"	397.104758	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"589209"	576.175558	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1074816"	218.033958	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1105839"	437.075192	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1345503"	437.162807	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1011846"	441.201976	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1532158"	442.195608	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"998606"	221.104626	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1595297"	443.110228	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1426422"	473.141738	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1159991"	241.617901	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1708447"	490.168285	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1644100"	495.12368	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1581938"	511.09762	"C17508"	"Isocolumbin"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"805743"	150.0793	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M"	0
"979278"	131.06091	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-H2O-H"	-19.01839
"67518"	99.0455906666667	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M-3H"	-3.021828
"506716"	149.072024	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M-3H"	-3.021828
"888162"	49.0191573333333	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-3H"	-3.021828
"14275"	149.072024	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M-2H"	-2.014552
"452862"	224.111674	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M-2H"	-2.014552
"826290"	74.032374	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-2H"	-2.014552
"90658"	299.151324	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M-H"	-1.007276
"529124"	449.230624	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M-H"	-1.007276
"903645"	149.072024	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-H"	-1.007276
"61306"	316.177871	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M-2H+NH4"	16.019271
"500863"	466.257171	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M-2H+NH4"	16.019271
"869916"	166.098571	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-2H+NH4"	16.019271
"33801"	321.133266	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M-2H+Na"	20.974666
"472630"	471.212566	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M-2H+Na"	20.974666
"863450"	171.053966	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-2H+Na"	20.974666
"1633343"	171.053966	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Na-2H"	20.974666
"109349"	167.060363	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M-H+Cl"	33.962126
"541897"	242.100013	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M-H+Cl"	33.962126
"938694"	92.020713	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-H+Cl"	33.962126
"279439"	335.128002	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+Cl"	34.969402
"674777"	485.207302	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+Cl"	34.969402
"1283170"	185.048702	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Cl"	34.969402
"21351"	337.107206	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M-2H+K"	36.948606
"462004"	487.186506	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M-2H+K"	36.948606
"833609"	187.027906	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-2H+K"	36.948606
"1558190"	187.027906	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+K-2H"	36.948606
"944250"	195.077494	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-H+HCOOH"	44.998194
"368303"	345.156801	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+HCOOH-H"	44.998201
"350730"	359.172451	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+Hac-H"	59.013851
"1497375"	209.093151	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Hac-H"	59.013851
"963457"	217.059451	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-H+NaCOOH"	66.980151
"115649"	185.048702	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+2Cl"	69.938804
"565054"	260.088352	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+2Cl"	69.938804
"1034950"	110.009052	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2Cl"	69.938804
"1255620"	228.998185	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Br"	78.918885
"1312599"	231.054172	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Cl+HCOOH"	80.974872
"1325360"	253.036129	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Cl+NaCOOH"	102.956829
"917510"	263.064886	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M-H+CF3COOH"	112.985586
"1291300"	299.041564	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Cl+CF3COOH"	148.962264
"1371286"	115.066624	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H-2H2O"	-35.012676
"1388058"	133.0766	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H-H2O"	-17.0027
"289571"	301.165876	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+H"	1.007276
"681991"	451.245176	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+H"	1.007276
"1356153"	151.086576	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H"	1.007276
"129044"	151.086576	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+2H"	2.014552
"569701"	226.126226	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+2H"	2.014552
"1037765"	76.046926	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2H"	2.014552
"210778"	101.060142666667	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+3H"	3.021828
"652524"	151.086576	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+3H"	3.021828
"1172837"	51.0337093333333	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+3H"	3.021828
"430640"	318.192423	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+NH4"	18.033823
"800887"	468.271723	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+NH4"	18.033823
"1695996"	168.113123	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+NH4"	18.033823
"343545"	159.5998495	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+H+NH4"	19.041099
"737426"	234.6394995	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+H+NH4"	19.041099
"1491613"	84.5601995	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H+NH4"	19.041099
"407499"	323.147818	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+Na"	22.989218
"769349"	473.227118	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+Na"	22.989218
"1617445"	173.068518	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Na"	22.989218
"329547"	162.077547	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+H+Na"	23.996494
"721734"	237.117197	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+H+Na"	23.996494
"1475920"	87.037897	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H+Na"	23.996494
"1067814"	58.3610233333333	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2H+Na"	25.00377
"1272042"	183.112786	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+CH3OH+H"	33.033486
"391961"	339.121758	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+K"	38.963158
"753567"	489.201058	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+K"	38.963158
"1553794"	189.042458	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+K"	38.963158
"313643"	170.064517	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+H+K"	39.970434
"705091"	245.104167	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+H+K"	39.970434
"1460576"	95.024867	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H+K"	39.970434
"249336"	342.192426	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+ACN+H"	42.033826
"1216573"	192.113126	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+ACN+H"	42.033826
"1200458"	96.560201	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+ACN+2H"	43.041102
"196609"	345.12976	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+2Na-H"	44.97116
"638356"	495.20906	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+2Na-H"	44.97116
"1132258"	195.05046	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2Na-H"	44.97116
"173364"	173.068518	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+2Na"	45.978436
"612855"	248.108168	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+2Na"	45.978436
"1115821"	98.028868	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2Na"	45.978436
"1400810"	65.6883373333333	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H+2Na"	46.985712
"1436206"	197.092046	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H+HCOOH"	47.012746
"222622"	178.10154	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+3H2O+2H"	56.04448
"1510683"	211.14409	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+IsoProp+H"	61.06479
"411462"	181.055488	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+Na+K"	61.952376
"775743"	256.095138	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+Na+K"	61.952376
"1670981"	106.015838	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Na+K"	61.952376
"259690"	364.174368	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+ACN+Na"	64.015768
"1235681"	214.095068	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+ACN+Na"	64.015768
"1725311"	214.118593	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+NH4+HCOOH"	64.039293
"1192966"	73.0156513333333	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+3Na"	68.967654
"1662006"	219.073988	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Na+HCOOH"	68.994688
"169962"	377.07764	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+2K-H"	76.91904
"609523"	527.15694	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+2K-H"	76.91904
"1087474"	226.99834	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2K-H"	76.91904
"147572"	189.042458	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"2M+2K"	77.926316
"583243"	264.082108	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"3M+2K"	77.926316
"1072737"	114.002808	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2K"	77.926316
"1103759"	229.012892	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2K+H"	78.933592
"1341239"	229.100507	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+DMSO+H"	79.021207
"1010862"	233.139676	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2ACN+H"	83.060376
"1533359"	234.133308	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+IsoProp+Na+H"	84.054008
"1004546"	117.073476	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+2ACN+2H"	84.067652
"1598684"	235.047928	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+K+HCOOH"	84.968628
"1426530"	265.079438	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+H+CF3COOH"	115.000138
"1150262"	137.586751	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+3ACN+2H"	125.094202
"1699812"	282.105985	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+NH4+CF3COOH"	132.026685
"1640931"	287.06138	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+Na+CF3COOH"	136.98208
"1575489"	303.03532	"C17512"	"N-Methylanthranilamide;N-Methyl-2-aminobenzamide"	"C8H10N2O"	"150.0793"	"M+K+CF3COOH"	152.95602
"802573"	814.3259	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M"	0
"979388"	795.30751	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-H2O-H"	-19.01839
"67628"	541.876657333333	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M-3H"	-3.021828
"509378"	813.318624	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M-3H"	-3.021828
"883897"	270.434690666667	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-3H"	-3.021828
"12318"	813.318624	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M-2H"	-2.014552
"452972"	1220.481574	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M-2H"	-2.014552
"827494"	406.155674	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-2H"	-2.014552
"90769"	1627.644524	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M-H"	-1.007276
"530328"	2441.970424	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M-H"	-1.007276
"907037"	813.318624	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-H"	-1.007276
"52662"	1644.671071	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M-2H+NH4"	16.019271
"497693"	2458.996971	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M-2H+NH4"	16.019271
"870026"	830.345171	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-2H+NH4"	16.019271
"34641"	1649.626466	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M-2H+Na"	20.974666
"474929"	2463.952366	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M-2H+Na"	20.974666
"864008"	835.300566	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-2H+Na"	20.974666
"1633817"	835.300566	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Na-2H"	20.974666
"109863"	831.306963	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M-H+Cl"	33.962126
"542007"	1238.469913	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M-H+Cl"	33.962126
"935524"	424.144013	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-H+Cl"	33.962126
"279185"	1663.621202	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+Cl"	34.969402
"674159"	2477.947102	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+Cl"	34.969402
"1284009"	849.295302	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Cl"	34.969402
"21461"	1665.600406	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M-2H+K"	36.948606
"462114"	2479.926306	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M-2H+K"	36.948606
"835906"	851.274506	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-2H+K"	36.948606
"1559394"	851.274506	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+K-2H"	36.948606
"948371"	859.324094	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-H+HCOOH"	44.998194
"369506"	1673.650001	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+HCOOH-H"	44.998201
"350840"	1687.665651	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+Hac-H"	59.013851
"1498578"	873.339751	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Hac-H"	59.013851
"964296"	881.306051	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-H+NaCOOH"	66.980151
"116487"	849.295302	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+2Cl"	69.938804
"563705"	1256.458252	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+2Cl"	69.938804
"1033600"	442.132352	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2Cl"	69.938804
"1254271"	893.244785	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Br"	78.918885
"1315624"	895.300772	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Cl+HCOOH"	80.974872
"1323645"	917.282729	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Cl+NaCOOH"	102.956829
"915796"	927.311486	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M-H+CF3COOH"	112.985586
"1290317"	963.288164	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Cl+CF3COOH"	148.962264
"1372489"	779.313224	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H-2H2O"	-35.012676
"1386710"	797.3232	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H-H2O"	-17.0027
"284942"	1629.659076	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+H"	1.007276
"675902"	2443.984976	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+H"	1.007276
"1352614"	815.333176	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H"	1.007276
"131342"	815.333176	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+2H"	2.014552
"576373"	1222.496126	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+2H"	2.014552
"1040068"	408.170226	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2H"	2.014552
"213076"	543.891209333333	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+3H"	3.021828
"652635"	815.333176	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+3H"	3.021828
"1169666"	272.449242666667	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+3H"	3.021828
"429656"	1646.685623	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+NH4"	18.033823
"799044"	2461.011523	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+NH4"	18.033823
"1694645"	832.359723	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+NH4"	18.033823
"343655"	823.8464495	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+H+NH4"	19.041099
"738272"	1231.0093995	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+H+NH4"	19.041099
"1492415"	416.6834995	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H+NH4"	19.041099
"408342"	1651.641018	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+Na"	22.989218
"769907"	2465.966918	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+Na"	22.989218
"1618040"	837.315118	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Na"	22.989218
"329848"	826.324147	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+H+Na"	23.996494
"722280"	1233.487097	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+H+Na"	23.996494
"1476382"	419.161197	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H+Na"	23.996494
"1067196"	279.776556666667	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2H+Na"	25.00377
"1272477"	847.359386	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+CH3OH+H"	33.033486
"391824"	1667.614958	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+K"	38.963158
"753551"	2481.940858	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+K"	38.963158
"1554512"	853.289058	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+K"	38.963158
"312053"	834.311117	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+H+K"	39.970434
"705930"	1241.474067	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+H+K"	39.970434
"1460846"	427.148167	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H+K"	39.970434
"240695"	1670.685626	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+ACN+H"	42.033826
"1211218"	856.359726	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+ACN+H"	42.033826
"1197287"	428.683501	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+ACN+2H"	43.041102
"191252"	1673.62296	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+2Na-H"	44.97116
"630812"	2487.94886	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+2Na-H"	44.97116
"1137601"	859.29706	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2Na-H"	44.97116
"176517"	837.315118	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+2Na"	45.978436
"613517"	1244.478068	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+2Na"	45.978436
"1116665"	430.152168	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2Na"	45.978436
"1399091"	287.103870666667	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H+2Na"	46.985712
"1431941"	861.338646	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H+HCOOH"	47.012746
"221027"	842.34814	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+3H2O+2H"	56.04448
"1510063"	875.39069	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+IsoProp+H"	61.06479
"411931"	845.302088	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+Na+K"	61.952376
"782053"	1252.465038	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+Na+K"	61.952376
"1675467"	438.139138	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Na+K"	61.952376
"259800"	1692.667568	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+ACN+Na"	64.015768
"1234698"	878.341668	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+ACN+Na"	64.015768
"1726873"	878.365193	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+NH4+HCOOH"	64.039293
"1191132"	294.431184666667	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+3Na"	68.967654
"1661027"	883.320588	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Na+HCOOH"	68.994688
"170804"	1705.57084	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+2K-H"	76.91904
"609634"	2519.89674	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+2K-H"	76.91904
"1090866"	891.24494	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2K-H"	76.91904
"152057"	853.289058	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"2M+2K"	77.926316
"587244"	1260.452008	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"3M+2K"	77.926316
"1073943"	446.126108	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2K"	77.926316
"1107152"	893.259492	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2K+H"	78.933592
"1343538"	893.347107	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+DMSO+H"	79.021207
"1009881"	897.386276	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2ACN+H"	83.060376
"1533473"	898.379908	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+IsoProp+Na+H"	84.054008
"997734"	449.196776	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+2ACN+2H"	84.067652
"1595517"	899.294528	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+K+HCOOH"	84.968628
"1426644"	929.326038	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+H+CF3COOH"	115.000138
"1151465"	469.710051	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+3ACN+2H"	125.094202
"1706485"	946.352585	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+NH4+CF3COOH"	132.026685
"1641042"	951.30798	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+Na+CF3COOH"	136.98208
"1575599"	967.28192	"C17513"	"trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester;beta-D-Gentiobiosyl beta-D-glucosyl crocetin"	"C38H54O19"	"814.3259"	"M+K+CF3COOH"	152.95602
"803776"	480.0904	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M"	0
"977309"	461.07201	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H2O-H"	-19.01839
"63072"	319.052990666667	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-3H"	-3.021828
"503034"	479.083124	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-3H"	-3.021828
"881085"	159.022857333333	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-3H"	-3.021828
"2947"	479.083124	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H"	-2.014552
"443239"	719.128324	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H"	-2.014552
"825416"	239.037924	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H"	-2.014552
"89783"	959.173524	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-H"	-1.007276
"529343"	1439.263924	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-H"	-1.007276
"906054"	479.083124	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H"	-1.007276
"52772"	976.200071	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H+NH4"	16.019271
"495615"	1456.290471	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H+NH4"	16.019271
"869407"	496.109671	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H+NH4"	16.019271
"34023"	981.155466	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H+Na"	20.974666
"473947"	1461.245866	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H+Na"	20.974666
"863057"	501.065066	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H+Na"	20.974666
"1631497"	501.065066	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na-2H"	20.974666
"108024"	497.071463	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-H+Cl"	33.962126
"542117"	737.116663	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-H+Cl"	33.962126
"935633"	257.026263	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+Cl"	33.962126
"278566"	995.150202	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Cl"	34.969402
"672081"	1475.240602	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+Cl"	34.969402
"1282299"	515.059802	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl"	34.969402
"20478"	997.129406	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H+K"	36.948606
"460402"	1477.219806	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H+K"	36.948606
"833585"	517.039006	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H+K"	36.948606
"1559870"	517.039006	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K-2H"	36.948606
"947752"	525.088594	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+HCOOH"	44.998194
"361633"	1005.179001	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+HCOOH-H"	44.998201
"347665"	1019.194651	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Hac-H"	59.013851
"1496136"	539.104251	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Hac-H"	59.013851
"960030"	547.070551	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+NaCOOH"	66.980151
"115504"	515.059802	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2Cl"	69.938804
"563815"	755.105002	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2Cl"	69.938804
"1033710"	275.014602	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2Cl"	69.938804
"1253289"	559.009285	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Br"	78.918885
"1314641"	561.065272	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl+HCOOH"	80.974872
"1322662"	583.047229	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl+NaCOOH"	102.956829
"912625"	593.075986	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+CF3COOH"	112.985586
"1289209"	629.052664	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl+CF3COOH"	148.962264
"1369318"	445.077724	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H-2H2O"	-35.012676
"1386819"	463.0877	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H-H2O"	-17.0027
"285780"	961.188076	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H"	1.007276
"677105"	1441.278476	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H"	1.007276
"1353455"	481.097676	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H"	1.007276
"128535"	481.097676	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2H"	2.014552
"574296"	721.142876	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2H"	2.014552
"1040177"	241.052476	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2H"	2.014552
"209903"	321.067542666667	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+3H"	3.021828
"650557"	481.097676	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+3H"	3.021828
"1171963"	161.037409333333	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+3H"	3.021828
"429766"	978.214623	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+NH4"	18.033823
"799882"	1458.305023	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+NH4"	18.033823
"1695488"	498.124223	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+NH4"	18.033823
"344124"	489.6109495	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H+NH4"	19.041099
"738423"	729.6561495	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H+NH4"	19.041099
"1492592"	249.5657495	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+NH4"	19.041099
"408452"	983.170018	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Na"	22.989218
"769725"	1463.260418	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+Na"	22.989218
"1617418"	503.079618	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na"	22.989218
"328670"	492.088647	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H+Na"	23.996494
"722064"	732.133847	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H+Na"	23.996494
"1476948"	252.043447	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+Na"	23.996494
"1067544"	168.364723333333	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2H+Na"	25.00377
"1272018"	513.123886	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+CH3OH+H"	33.033486
"391934"	999.143958	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+K"	38.963158
"752931"	1479.234358	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+K"	38.963158
"1554620"	519.053558	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K"	38.963158
"313132"	500.075617	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H+K"	39.970434
"706035"	740.120817	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H+K"	39.970434
"1457669"	260.030417	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+K"	39.970434
"241900"	1002.214626	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+ACN+H"	42.033826
"1211813"	522.124226	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+ACN+H"	42.033826
"1195817"	261.565751	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+ACN+2H"	43.041102
"190024"	1005.15196	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2Na-H"	44.97116
"631286"	1485.24236	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2Na-H"	44.97116
"1137711"	525.06156	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2Na-H"	44.97116
"176627"	503.079618	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2Na"	45.978436
"613876"	743.124818	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2Na"	45.978436
"1117748"	263.034418	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2Na"	45.978436
"1399079"	175.692037333333	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+2Na"	46.985712
"1431197"	527.103146	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+HCOOH"	47.012746
"221378"	508.11264	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+3H2O+2H"	56.04448
"1509562"	541.15519	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+IsoProp+H"	61.06479
"411312"	511.066588	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Na+K"	61.952376
"772673"	751.111788	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+Na+K"	61.952376
"1667670"	271.021388	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na+K"	61.952376
"259910"	1024.196568	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+ACN+Na"	64.015768
"1230431"	544.106168	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+ACN+Na"	64.015768
"1727591"	544.129693	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+NH4+HCOOH"	64.039293
"1191241"	183.019351333333	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+3Na"	68.967654
"1662229"	549.085088	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na+HCOOH"	68.994688
"165810"	1037.09984	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2K-H"	76.91904
"609744"	1517.19024	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2K-H"	76.91904
"1094257"	557.00944	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2K-H"	76.91904
"146699"	519.053558	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2K"	77.926316
"585166"	759.098758	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2K"	77.926316
"1074052"	279.008358	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2K"	77.926316
"1110542"	559.023992	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2K+H"	78.933592
"1344741"	559.111607	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+DMSO+H"	79.021207
"1009990"	563.150776	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2ACN+H"	83.060376
"1530303"	564.144408	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+IsoProp+Na+H"	84.054008
"996751"	282.079026	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2ACN+2H"	84.067652
"1597816"	565.059028	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K+HCOOH"	84.968628
"1428939"	595.090538	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+CF3COOH"	115.000138
"1150483"	302.592301	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+3ACN+2H"	125.094202
"1707689"	612.117085	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+NH4+CF3COOH"	132.026685
"1641152"	617.07248	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na+CF3COOH"	136.98208
"1575709"	633.04642	"C17514"	"4-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K+CF3COOH"	152.95602
"812634"	269.2719	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M"	0
"978513"	250.25351	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-H2O-H"	-19.01839
"66754"	178.507324	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M-3H"	-3.021828
"504127"	268.264624	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M-3H"	-3.021828
"880955"	88.750024	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-3H"	-3.021828
"747"	268.264624	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M-2H"	-2.014552
"440550"	402.900574	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M-2H"	-2.014552
"824433"	133.628674	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-2H"	-2.014552
"84425"	537.536524	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M-H"	-1.007276
"528359"	806.808424	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M-H"	-1.007276
"908349"	268.264624	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-H"	-1.007276
"49602"	554.563071	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M-2H+NH4"	16.019271
"497912"	823.834971	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M-2H+NH4"	16.019271
"872434"	285.291171	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-2H+NH4"	16.019271
"34867"	559.518466	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M-2H+Na"	20.974666
"476613"	828.790366	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M-2H+Na"	20.974666
"851135"	290.246566	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-2H+Na"	20.974666
"1633959"	290.246566	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Na-2H"	20.974666
"109725"	286.252963	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M-H+Cl"	33.962126
"545508"	420.888913	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M-H+Cl"	33.962126
"935743"	151.617013	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-H+Cl"	33.962126
"278681"	573.513202	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+Cl"	34.969402
"666726"	842.785102	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+Cl"	34.969402
"1283502"	304.241302	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Cl"	34.969402
"24965"	575.492406	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M-2H+K"	36.948606
"466711"	844.764306	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M-2H+K"	36.948606
"840138"	306.220506	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-2H+K"	36.948606
"1559252"	306.220506	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+K-2H"	36.948606
"944583"	314.270094	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-H+HCOOH"	44.998194
"361445"	583.542001	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+HCOOH-H"	44.998201
"347775"	597.557651	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+Hac-H"	59.013851
"1493692"	328.285751	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Hac-H"	59.013851
"961601"	336.252051	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-H+NaCOOH"	66.980151
"113060"	304.241302	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+2Cl"	69.938804
"561379"	438.877252	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+2Cl"	69.938804
"1033458"	169.605352	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2Cl"	69.938804
"1252306"	348.190785	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Br"	78.918885
"1312567"	350.246772	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Cl+HCOOH"	80.974872
"1322772"	372.228729	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Cl+NaCOOH"	102.956829
"916748"	382.257486	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M-H+CF3COOH"	112.985586
"1290173"	418.234164	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Cl+CF3COOH"	148.962264
"1367357"	234.259224	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H-2H2O"	-35.012676
"1387292"	252.2692	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H-H2O"	-17.0027
"287707"	539.551076	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+H"	1.007276
"685605"	808.822976	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+H"	1.007276
"1358673"	270.279176	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H"	1.007276
"128281"	270.279176	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+2H"	2.014552
"577690"	404.915126	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+2H"	2.014552
"1048674"	135.643226	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2H"	2.014552
"215481"	180.521876	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+3H"	3.021828
"650667"	270.279176	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+3H"	3.021828
"1169889"	90.764576	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+3H"	3.021828
"429878"	556.577623	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+NH4"	18.033823
"801137"	825.849523	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+NH4"	18.033823
"1696651"	287.305723	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+NH4"	18.033823
"344239"	278.7924495	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+H+NH4"	19.041099
"738251"	413.4283995	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+H+NH4"	19.041099
"1492476"	144.1564995	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H+NH4"	19.041099
"408466"	561.533018	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+Na"	22.989218
"769476"	830.804918	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+Na"	22.989218
"1618058"	292.261118	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Na"	22.989218
"329921"	281.270147	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+H+Na"	23.996494
"722172"	415.906097	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+H+Na"	23.996494
"1476804"	146.634197	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H+Na"	23.996494
"1066682"	98.09189	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2H+Na"	25.00377
"1270546"	302.305386	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+CH3OH+H"	33.033486
"392045"	577.506958	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+K"	38.963158
"752314"	846.778858	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+K"	38.963158
"1552908"	308.235058	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+K"	38.963158
"312634"	289.257117	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+H+K"	39.970434
"705052"	423.893067	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+H+K"	39.970434
"1458871"	154.621167	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H+K"	39.970434
"245288"	580.577626	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+ACN+H"	42.033826
"1215813"	311.305726	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+ACN+H"	42.033826
"1196416"	156.156501	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+ACN+2H"	43.041102
"194754"	583.51496	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+2Na-H"	44.97116
"637595"	852.78686	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+2Na-H"	44.97116
"1135635"	314.24306	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2Na-H"	44.97116
"174551"	292.261118	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+2Na"	45.978436
"614473"	426.897068	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+2Na"	45.978436
"1116277"	157.625168	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2Na"	45.978436
"1398554"	105.419204	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H+2Na"	46.985712
"1430819"	316.284646	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H+HCOOH"	47.012746
"220759"	297.29414	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+3H2O+2H"	56.04448
"1509308"	330.33669	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+IsoProp+H"	61.06479
"410330"	300.248088	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+Na+K"	61.952376
"771689"	434.884038	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+Na+K"	61.952376
"1668390"	165.612138	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Na+K"	61.952376
"258926"	602.559568	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+ACN+Na"	64.015768
"1232727"	333.287668	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+ACN+Na"	64.015768
"1726364"	333.311193	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+NH4+HCOOH"	64.039293
"1188071"	112.746518	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+3Na"	68.967654
"1663431"	338.266588	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Na+HCOOH"	68.994688
"168106"	615.46284	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+2K-H"	76.91904
"607665"	884.73474	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+2K-H"	76.91904
"1096552"	346.19094	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2K-H"	76.91904
"154463"	308.235058	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"2M+2K"	77.926316
"590743"	442.871008	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"3M+2K"	77.926316
"1079630"	173.599108	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2K"	77.926316
"1106278"	348.205492	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2K+H"	78.933592
"1347037"	348.293107	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+DMSO+H"	79.021207
"1011195"	352.332276	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2ACN+H"	83.060376
"1530413"	353.325908	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+IsoProp+Na+H"	84.054008
"997954"	176.669776	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+2ACN+2H"	84.067652
"1591364"	354.240528	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+K+HCOOH"	84.968628
"1428687"	384.272038	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+H+CF3COOH"	115.000138
"1151687"	197.183051	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+3ACN+2H"	125.094202
"1708893"	401.298585	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+NH4+CF3COOH"	132.026685
"1641262"	406.25398	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+Na+CF3COOH"	136.98208
"1582380"	422.22792	"C17515"	"Capsi-amide;N-(13-Methyltetradecyl)acetamide;CAP-A"	"C17H35NO"	"269.2719"	"M+K+CF3COOH"	152.95602
"802903"	1564.8025	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M"	0
"975343"	1545.78411	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-H2O-H"	-19.01839
"63584"	1042.19439066667	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M-3H"	-3.021828
"504601"	1563.795224	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M-3H"	-3.021828
"880944"	520.593557333333	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-3H"	-3.021828
"163"	1563.795224	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M-2H"	-2.014552
"440168"	2346.196474	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M-2H"	-2.014552
"825636"	781.393974	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-2H"	-2.014552
"84533"	3128.597724	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M-H"	-1.007276
"524094"	4693.400224	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M-H"	-1.007276
"904086"	1563.795224	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-H"	-1.007276
"49712"	3145.624271	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M-2H+NH4"	16.019271
"491460"	4710.426771	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M-2H+NH4"	16.019271
"865982"	1580.821771	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-2H+NH4"	16.019271
"34243"	3150.579666	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M-2H+Na"	20.974666
"473438"	4715.382166	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M-2H+Na"	20.974666
"850514"	1585.777166	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-2H+Na"	20.974666
"1630628"	1585.777166	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Na-2H"	20.974666
"106061"	1581.783563	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M-H+Cl"	33.962126
"547807"	2364.184813	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M-H+Cl"	33.962126
"934760"	799.382313	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-H+Cl"	33.962126
"273322"	3164.574402	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+Cl"	34.969402
"663554"	4729.376902	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+Cl"	34.969402
"1277049"	1599.771902	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Cl"	34.969402
"20699"	3166.553606	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M-2H+K"	36.948606
"460260"	4731.356106	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M-2H+K"	36.948606
"832818"	1601.751106	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-2H+K"	36.948606
"1555950"	1601.751106	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+K-2H"	36.948606
"942942"	1609.800694	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-H+HCOOH"	44.998194
"361524"	3174.603201	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+HCOOH-H"	44.998201
"345689"	3188.618851	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+Hac-H"	59.013851
"1496722"	1623.816351	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Hac-H"	59.013851
"959887"	1631.782651	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-H+NaCOOH"	66.980151
"113170"	1599.771902	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+2Cl"	69.938804
"558568"	2382.173152	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+2Cl"	69.938804
"1031741"	817.370652	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2Cl"	69.938804
"1248768"	1643.721385	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Br"	78.918885
"1311583"	1645.777372	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Cl+HCOOH"	80.974872
"1321787"	1667.759329	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Cl+NaCOOH"	102.956829
"914670"	1677.788086	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M-H+CF3COOH"	112.985586
"1288903"	1713.764764	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Cl+CF3COOH"	148.962264
"1367105"	1529.789824	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H-2H2O"	-35.012676
"1387402"	1547.7998	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H-H2O"	-17.0027
"285629"	3130.612276	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+H"	1.007276
"679511"	4695.414776	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+H"	1.007276
"1352578"	1565.809776	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H"	1.007276
"128024"	1565.809776	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+2H"	2.014552
"579259"	2348.211026	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+2H"	2.014552
"1049880"	783.408526	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2H"	2.014552
"215591"	1044.20894266667	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+3H"	3.021828
"650777"	1565.809776	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+3H"	3.021828
"1173278"	522.608109333333	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+3H"	3.021828
"431081"	3147.638823	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+NH4"	18.033823
"801211"	4712.441323	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+NH4"	18.033823
"1696769"	1582.836323	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+NH4"	18.033823
"345374"	1574.3230495	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+H+NH4"	19.041099
"738498"	2356.7242995	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+H+NH4"	19.041099
"1492685"	791.9217995	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H+NH4"	19.041099
"408499"	3152.594218	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+Na"	22.989218
"769870"	4717.396718	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+Na"	22.989218
"1617516"	1587.791718	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Na"	22.989218
"329012"	1576.800747	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+H+Na"	23.996494
"722528"	2359.201997	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+H+Na"	23.996494
"1475372"	794.399497	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H+Na"	23.996494
"1067158"	529.935423333333	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2H+Na"	25.00377
"1270535"	1597.835986	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+CH3OH+H"	33.033486
"390328"	3168.568158	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+K"	38.963158
"752787"	4733.370658	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+K"	38.963158
"1553382"	1603.765658	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+K"	38.963158
"311651"	1584.787717	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+H+K"	39.970434
"705162"	2367.188967	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+H+K"	39.970434
"1458981"	802.386467	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H+K"	39.970434
"246491"	3171.638826	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+ACN+H"	42.033826
"1214102"	1606.836326	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+ACN+H"	42.033826
"1197983"	803.921801	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+ACN+2H"	43.041102
"194864"	3174.57616	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+2Na-H"	44.97116
"634424"	4739.37866	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+2Na-H"	44.97116
"1135745"	1609.77366	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2Na-H"	44.97116
"175025"	1587.791718	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+2Na"	45.978436
"613114"	2370.192968	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+2Na"	45.978436
"1115757"	805.390468	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2Na"	45.978436
"1398471"	537.262737333333	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H+2Na"	46.985712
"1429900"	1611.815246	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H+HCOOH"	47.012746
"220505"	1592.82474	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+3H2O+2H"	56.04448
"1508931"	1625.86729	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+IsoProp+H"	61.06479
"410074"	1595.778688	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+Na+K"	61.952376
"771798"	2378.179938	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+Na+K"	61.952376
"1667763"	813.377438	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Na+K"	61.952376
"257943"	3193.620768	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+ACN+Na"	64.015768
"1231744"	1628.818268	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+ACN+Na"	64.015768
"1723917"	1628.841793	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+NH4+HCOOH"	64.039293
"1191461"	544.590051333333	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+3Na"	68.967654
"1663541"	1633.797188	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Na+HCOOH"	68.994688
"164935"	3206.52404	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+2K-H"	76.91904
"607775"	4771.32654	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+2K-H"	76.91904
"1090102"	1641.72154	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2K-H"	76.91904
"152386"	1603.765658	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"2M+2K"	77.926316
"588665"	2386.166908	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"3M+2K"	77.926316
"1074272"	821.364408	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2K"	77.926316
"1105295"	1643.736092	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2K+H"	78.933592
"1341679"	1643.823707	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+DMSO+H"	79.021207
"1012398"	1647.862876	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2ACN+H"	83.060376
"1531615"	1648.856508	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+IsoProp+Na+H"	84.054008
"998064"	824.435076	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+2ACN+2H"	84.067652
"1591474"	1649.771128	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+K+HCOOH"	84.968628
"1428068"	1679.802638	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+H+CF3COOH"	115.000138
"1151797"	844.948351	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+3ACN+2H"	125.094202
"1707910"	1696.829185	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+NH4+CF3COOH"	132.026685
"1641372"	1701.78458	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+Na+CF3COOH"	136.98208
"1582490"	1717.75852	"C17516"	"Capsianside A"	"C76H124O33"	"1564.8025"	"M+K+CF3COOH"	152.95602
"812854"	154.1358	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M"	0
"976548"	135.11741	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"64788"	101.749924	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"504347"	153.128524	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"883240"	50.371324	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"961"	153.128524	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"441736"	230.196424	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"822465"	76.060624	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"82456"	307.264324	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"522017"	461.400124	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"906382"	153.128524	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"49822"	324.290871	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"490477"	478.426671	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"866817"	170.155071	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"34718"	329.246266	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"473669"	483.382066	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"849410"	175.110466	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1629644"	175.110466	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"103985"	171.116863	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"546824"	248.184763	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"934870"	94.048963	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"275620"	343.241002	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"665853"	497.376802	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1281534"	189.105202	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"17529"	345.220206	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"460370"	499.356006	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"835982"	191.084406	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1556918"	191.084406	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"945166"	199.133994	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"361715"	353.269801	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"347264"	367.285451	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1497926"	213.149651	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"961821"	221.115951	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"113280"	189.105202	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"558679"	266.173102	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1030759"	112.037302	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1247786"	233.054685	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1314973"	235.110672	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1322628"	257.092629	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"915144"	267.121386	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1289255"	303.098064	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1367696"	119.123124	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1390428"	137.1331	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"286834"	309.278876	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"678164"	463.414676	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1351788"	155.143076	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"128134"	155.143076	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"577182"	232.210976	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1048897"	78.075176	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"210233"	103.764476	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"650887"	155.143076	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1171200"	52.385876	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"431191"	326.305423	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"800951"	480.441223	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696424"	172.169623	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"345480"	163.6563495	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"737500"	240.7242495	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1492406"	86.5884495	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"408249"	331.260818	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"768677"	485.396618	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616897"	177.125018	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"327420"	166.134047	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"721179"	243.201947	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1473659"	89.066147	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1065810"	59.71319	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1272225"	187.169286	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"389342"	347.234758	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"753258"	501.370558	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1553487"	193.098958	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"311757"	174.121017	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"706244"	251.188917	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1452528"	97.053117	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"243321"	350.305426	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1212510"	196.169626	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1197365"	98.588451	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"196068"	353.24276	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"635628"	507.37856	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1134399"	199.10696	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"172943"	177.125018	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"613478"	254.192918	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1116497"	100.057118	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1399048"	67.040504	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1431404"	201.148546	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"220325"	182.15804	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1509040"	215.20059	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"409455"	185.111988	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"772272"	262.179888	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1666781"	108.044088	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"256960"	372.287368	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1228575"	218.151568	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1719654"	218.175093	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1193029"	74.367818	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1664381"	223.130488	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"168326"	385.19064	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"608979"	539.32644	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1093492"	231.05484	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"152496"	193.098958	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"586589"	270.166858	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1075475"	116.031058	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1107591"	233.069392	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1345070"	233.157007	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1014694"	237.196176	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1527352"	238.189808	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"999269"	119.101726	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1588426"	239.104428	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1422711"	269.135938	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1149721"	139.615001	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1709112"	286.162485	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641482"	291.11788	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1582600"	307.09182	"C17517"	"beta-Terpineol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"812964"	154.1358	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M"	0
"983219"	135.11741	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"71460"	101.749924	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"505551"	153.128524	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"881529"	50.371324	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"4117"	153.128524	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"440637"	230.196424	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"818194"	76.060624	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"84753"	307.264324	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"525407"	461.400124	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"910383"	153.128524	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"54305"	324.290871	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"493868"	478.426671	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"866929"	170.155071	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"34101"	329.246266	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"474389"	483.382066	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"851465"	175.110466	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1631214"	175.110466	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"106286"	171.116863	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"548757"	248.184763	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"936073"	94.048963	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"276823"	343.241002	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"665963"	497.376802	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1283831"	189.105202	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"23107"	345.220206	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"462669"	499.356006	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"836092"	191.084406	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1557028"	191.084406	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"942906"	199.133994	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"364952"	353.269801	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"348102"	367.285451	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1501681"	213.149651	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"964118"	221.115951	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"113390"	189.105202	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"557697"	266.173102	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1027952"	112.037302	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1249353"	233.054685	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1311799"	235.110672	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1323102"	257.092629	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"913067"	267.121386	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1288714"	303.098064	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1367039"	119.123124	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1383035"	137.1331	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"286215"	309.278876	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"677541"	463.414676	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1351697"	155.143076	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"130067"	155.143076	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"575829"	232.210976	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1046816"	78.075176	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"209246"	103.764476	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"648807"	155.143076	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1172404"	52.385876	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"434584"	326.305423	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"800772"	480.441223	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1696907"	172.169623	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"345312"	163.6563495	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"737851"	240.7242495	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1492519"	86.5884495	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"407919"	331.260818	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"769036"	485.396618	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616399"	177.125018	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"328382"	166.134047	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"721410"	243.201947	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1474862"	89.066147	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1068354"	59.71319	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1271970"	187.169286	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"391639"	347.234758	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"753738"	501.370558	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1553597"	193.098958	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"313571"	174.121017	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"706111"	251.188917	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1455920"	97.053117	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"246712"	350.305426	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1212865"	196.169626	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1195289"	98.588451	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"199458"	353.24276	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"640110"	507.37856	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1135968"	199.10696	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"176703"	177.125018	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"615898"	254.192918	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1117214"	100.057118	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1399037"	67.040504	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1430909"	201.148546	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"220194"	182.15804	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1508550"	215.20059	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"408877"	185.111988	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"772382"	262.179888	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1666404"	108.044088	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"251628"	372.287368	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1227946"	218.151568	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1716476"	218.175093	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1192412"	74.367818	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1661941"	223.130488	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"168438"	385.19064	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"609088"	539.32644	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1097613"	231.05484	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"153336"	193.098958	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"587792"	270.166858	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1078865"	116.031058	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1112074"	233.069392	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1347367"	233.157007	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1018694"	237.196176	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1536209"	238.189808	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1002656"	119.101726	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1588415"	239.104428	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1419540"	269.135938	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1149831"	139.615001	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1709222"	286.162485	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1641592"	291.11788	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1582710"	307.09182	"C17518"	"gamma-Terpineol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"803233"	602.1636	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M"	0
"983329"	583.14521	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-H2O-H"	-19.01839
"69383"	400.435124	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M-3H"	-3.021828
"504568"	601.156324	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M-3H"	-3.021828
"881275"	199.713924	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-3H"	-3.021828
"58"	601.156324	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M-2H"	-2.014552
"440044"	902.238124	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M-2H"	-2.014552
"817220"	300.074524	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-2H"	-2.014552
"83770"	1203.319924	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M-H"	-1.007276
"525517"	1805.483524	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M-H"	-1.007276
"907694"	601.156324	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-H"	-1.007276
"54415"	1220.346471	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M-2H+NH4"	16.019271
"491788"	1822.510071	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M-2H+NH4"	16.019271
"867039"	618.182871	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-2H+NH4"	16.019271
"34573"	1225.301866	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M-2H+Na"	20.974666
"473768"	1827.465466	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M-2H+Na"	20.974666
"851575"	623.138266	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-2H+Na"	20.974666
"1630958"	623.138266	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Na-2H"	20.974666
"108579"	619.144663	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M-H+Cl"	33.962126
"547044"	920.226463	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M-H+Cl"	33.962126
"936183"	318.062863	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-H+Cl"	33.962126
"278025"	1239.296602	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+Cl"	34.969402
"667164"	1841.460202	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+Cl"	34.969402
"1279566"	637.133002	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Cl"	34.969402
"23217"	1241.275806	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M-2H+K"	36.948606
"462778"	1843.439406	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M-2H+K"	36.948606
"836202"	639.112206	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-2H+K"	36.948606
"1556531"	639.112206	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+K-2H"	36.948606
"943316"	647.161794	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-H+HCOOH"	44.998194
"364698"	1249.325401	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+HCOOH-H"	44.998201
"347120"	1263.341051	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+Hac-H"	59.013851
"1502155"	661.177451	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Hac-H"	59.013851
"963864"	669.143751	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-H+NaCOOH"	66.980151
"114593"	637.133002	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+2Cl"	69.938804
"559993"	938.214802	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+2Cl"	69.938804
"1026239"	336.051202	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2Cl"	69.938804
"1250555"	681.082485	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Br"	78.918885
"1309356"	683.138472	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Cl+HCOOH"	80.974872
"1323212"	705.120429	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Cl+NaCOOH"	102.956829
"912448"	715.149186	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M-H+CF3COOH"	112.985586
"1288909"	751.125864	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Cl+CF3COOH"	148.962264
"1367388"	567.150924	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H-2H2O"	-35.012676
"1382985"	585.1609	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H-H2O"	-17.0027
"283400"	1205.334476	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+H"	1.007276
"676923"	1807.498076	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+H"	1.007276
"1351398"	603.170876	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H"	1.007276
"126652"	603.170876	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+2H"	2.014552
"575936"	904.252676	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+2H"	2.014552
"1049110"	302.089076	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2H"	2.014552
"209355"	402.449676	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+3H"	3.021828
"651103"	603.170876	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+3H"	3.021828
"1172514"	201.728476	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+3H"	3.021828
"436516"	1222.361023	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+NH4"	18.033823
"800072"	1824.524623	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+NH4"	18.033823
"1696783"	620.197423	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+NH4"	18.033823
"345460"	611.6841495	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+H+NH4"	19.041099
"738447"	912.7659495	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+H+NH4"	19.041099
"1492588"	310.6023495	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H+NH4"	19.041099
"408422"	1227.316418	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+Na"	22.989218
"769388"	1829.480018	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+Na"	22.989218
"1617604"	625.152818	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Na"	22.989218
"329096"	614.161847	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+H+Na"	23.996494
"721641"	915.243647	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+H+Na"	23.996494
"1476064"	313.080047	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H+Na"	23.996494
"1067854"	209.05579	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2H+Na"	25.00377
"1271959"	635.197086	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+CH3OH+H"	33.033486
"391749"	1243.290358	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+K"	38.963158
"752751"	1845.453958	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+K"	38.963158
"1550427"	641.126758	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+K"	38.963158
"312709"	622.148817	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+H+K"	39.970434
"705491"	923.230617	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+H+K"	39.970434
"1453843"	321.067017	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H+K"	39.970434
"247914"	1246.361026	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+ACN+H"	42.033826
"1213339"	644.197426	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+ACN+H"	42.033826
"1199408"	322.602351	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+ACN+2H"	43.041102
"198475"	1249.29836	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+2Na-H"	44.97116
"639127"	1851.46196	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+2Na-H"	44.97116
"1136439"	647.13476	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2Na-H"	44.97116
"174626"	625.152818	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+2Na"	45.978436
"615400"	926.234618	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+2Na"	45.978436
"1116595"	324.071018	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2Na"	45.978436
"1399633"	216.383104	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H+2Na"	46.985712
"1430207"	649.176346	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H+HCOOH"	47.012746
"220039"	630.18584	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+3H2O+2H"	56.04448
"1508533"	663.22839	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+IsoProp+H"	61.06479
"408702"	633.139788	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+Na+K"	61.952376
"770305"	934.221588	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+Na+K"	61.952376
"1666150"	332.057988	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Na+K"	61.952376
"251495"	1268.342968	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+ACN+Na"	64.015768
"1225987"	666.179368	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+ACN+Na"	64.015768
"1717679"	666.202893	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+NH4+HCOOH"	64.039293
"1192156"	223.710418	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+3Na"	68.967654
"1661686"	671.158288	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Na+HCOOH"	68.994688
"168546"	1281.24624	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+2K-H"	76.91904
"611023"	1883.40984	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+2K-H"	76.91904
"1094804"	679.08264	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2K-H"	76.91904
"152714"	641.126758	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"2M+2K"	77.926316
"591182"	942.208558	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"3M+2K"	77.926316
"1077882"	340.044958	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2K"	77.926316
"1109997"	681.097192	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2K+H"	78.933592
"1346384"	681.184807	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+DMSO+H"	79.021207
"1016006"	685.223976	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2ACN+H"	83.060376
"1537411"	686.217608	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+IsoProp+Na+H"	84.054008
"1003859"	343.115626	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+2ACN+2H"	84.067652
"1590711"	687.132228	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+K+HCOOH"	84.968628
"1419650"	717.163738	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+H+CF3COOH"	115.000138
"1153222"	363.628901	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+3ACN+2H"	125.094202
"1708239"	734.190285	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+NH4+CF3COOH"	132.026685
"1641702"	739.14568	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+Na+CF3COOH"	136.98208
"1582820"	755.11962	"C17519"	"Amaroswerin"	"C29H30O14"	"602.1636"	"M+K+CF3COOH"	152.95602
"803343"	480.0904	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M"	0
"982346"	461.07201	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H2O-H"	-19.01839
"69493"	319.052990666667	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-3H"	-3.021828
"504678"	479.083124	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-3H"	-3.021828
"882478"	159.022857333333	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-3H"	-3.021828
"201"	479.083124	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H"	-2.014552
"440096"	719.128324	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H"	-2.014552
"817204"	239.037924	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H"	-2.014552
"82787"	959.173524	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-H"	-1.007276
"524534"	1439.263924	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-H"	-1.007276
"901243"	479.083124	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H"	-1.007276
"53432"	976.200071	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H+NH4"	16.019271
"490805"	1456.290471	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H+NH4"	16.019271
"865328"	496.109671	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H+NH4"	16.019271
"34320"	981.155466	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H+Na"	20.974666
"473882"	1461.245866	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H+Na"	20.974666
"849133"	501.065066	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H+Na"	20.974666
"1631069"	501.065066	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na-2H"	20.974666
"107596"	497.071463	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-H+Cl"	33.962126
"547154"	737.116663	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-H+Cl"	33.962126
"936293"	257.026263	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+Cl"	33.962126
"277042"	995.150202	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Cl"	34.969402
"666181"	1475.240602	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+Cl"	34.969402
"1279676"	515.059802	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl"	34.969402
"23327"	997.129406	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M-2H+K"	36.948606
"460702"	1477.219806	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M-2H+K"	36.948606
"837405"	517.039006	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-2H+K"	36.948606
"1556519"	517.039006	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K-2H"	36.948606
"942922"	525.088594	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+HCOOH"	44.998194
"365172"	1005.179001	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+HCOOH-H"	44.998201
"348686"	1019.194651	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Hac-H"	59.013851
"1502994"	539.104251	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Hac-H"	59.013851
"963609"	547.070551	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+NaCOOH"	66.980151
"113610"	515.059802	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2Cl"	69.938804
"560103"	755.105002	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2Cl"	69.938804
"1028171"	275.014602	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2Cl"	69.938804
"1250665"	559.009285	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Br"	78.918885
"1307643"	561.065272	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl+HCOOH"	80.974872
"1324051"	583.047229	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl+NaCOOH"	102.956829
"914746"	593.075986	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M-H+CF3COOH"	112.985586
"1289629"	629.052664	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Cl+CF3COOH"	148.962264
"1367786"	445.077724	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H-2H2O"	-35.012676
"1384917"	463.0877	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H-H2O"	-17.0027
"283186"	961.188076	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H"	1.007276
"676305"	1441.278476	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H"	1.007276
"1351590"	481.097676	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H"	1.007276
"125859"	481.097676	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2H"	2.014552
"571673"	721.142876	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2H"	2.014552
"1041565"	241.052476	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2H"	2.014552
"209465"	321.067542666667	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+3H"	3.021828
"651213"	481.097676	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+3H"	3.021828
"1172624"	161.037409333333	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+3H"	3.021828
"436626"	978.214623	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+NH4"	18.033823
"801236"	1458.305023	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+NH4"	18.033823
"1696883"	498.124223	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+NH4"	18.033823
"345684"	489.6109495	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H+NH4"	19.041099
"738503"	729.6561495	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H+NH4"	19.041099
"1492677"	249.5657495	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+NH4"	19.041099
"408474"	983.170018	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Na"	22.989218
"769618"	1463.260418	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+Na"	22.989218
"1616984"	503.079618	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na"	22.989218
"329815"	492.088647	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H+Na"	23.996494
"720900"	732.133847	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H+Na"	23.996494
"1475081"	252.043447	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+Na"	23.996494
"1067113"	168.364723333333	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2H+Na"	25.00377
"1272190"	513.123886	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+CH3OH+H"	33.033486
"391495"	999.143958	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+K"	38.963158
"752496"	1479.234358	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+K"	38.963158
"1550537"	519.053558	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K"	38.963158
"312088"	500.075617	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+H+K"	39.970434
"705602"	740.120817	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+H+K"	39.970434
"1453953"	260.030417	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+K"	39.970434
"248024"	1002.214626	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+ACN+H"	42.033826
"1213448"	522.124226	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+ACN+H"	42.033826
"1197331"	261.565751	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+ACN+2H"	43.041102
"197492"	1005.15196	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2Na-H"	44.97116
"638145"	1485.24236	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2Na-H"	44.97116
"1133023"	525.06156	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2Na-H"	44.97116
"174126"	503.079618	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2Na"	45.978436
"613565"	743.124818	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2Na"	45.978436
"1117434"	263.034418	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2Na"	45.978436
"1398890"	175.692037333333	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+2Na"	46.985712
"1431008"	527.103146	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+HCOOH"	47.012746
"220202"	508.11264	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+3H2O+2H"	56.04448
"1510099"	541.15519	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+IsoProp+H"	61.06479
"408724"	511.066588	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+Na+K"	61.952376
"770066"	751.111788	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+Na+K"	61.952376
"1665935"	271.021388	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na+K"	61.952376
"252174"	1024.196568	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+ACN+Na"	64.015768
"1226054"	544.106168	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+ACN+Na"	64.015768
"1718882"	544.129693	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+NH4+HCOOH"	64.039293
"1192265"	183.019351333333	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+3Na"	68.967654
"1661795"	549.085088	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na+HCOOH"	68.994688
"168656"	1037.09984	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2K-H"	76.91904
"611133"	1517.19024	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2K-H"	76.91904
"1096008"	557.00944	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2K-H"	76.91904
"150637"	519.053558	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"2M+2K"	77.926316
"591292"	759.098758	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"3M+2K"	77.926316
"1077992"	279.008358	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2K"	77.926316
"1110107"	559.023992	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2K+H"	78.933592
"1346494"	559.111607	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+DMSO+H"	79.021207
"1017209"	563.150776	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2ACN+H"	83.060376
"1536428"	564.144408	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+IsoProp+Na+H"	84.054008
"1002877"	282.079026	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+2ACN+2H"	84.067652
"1589728"	565.059028	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K+HCOOH"	84.968628
"1423040"	595.090538	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+H+CF3COOH"	115.000138
"1154425"	302.592301	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+3ACN+2H"	125.094202
"1709442"	612.117085	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+NH4+CF3COOH"	132.026685
"1645092"	617.07248	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+Na+CF3COOH"	136.98208
"1582930"	633.04642	"C17520"	"11-o-Galloylbergenin"	"C21H20O13"	"480.0904"	"M+K+CF3COOH"	152.95602
"803453"	802.0865	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M"	0
"983549"	783.06811	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-H2O-H"	-19.01839
"72883"	533.717057333333	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M-3H"	-3.021828
"504788"	801.079224	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M-3H"	-3.021828
"881859"	266.354890666667	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-3H"	-3.021828
"3351"	801.079224	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M-2H"	-2.014552
"441089"	1202.122474	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M-2H"	-2.014552
"817550"	400.035974	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-2H"	-2.014552
"85083"	1603.165724	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M-H"	-1.007276
"524644"	2405.252224	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M-H"	-1.007276
"901353"	801.079224	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-H"	-1.007276
"56822"	1620.192271	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M-2H+NH4"	16.019271
"494195"	2422.278771	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M-2H+NH4"	16.019271
"866530"	818.105771	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-2H+NH4"	16.019271
"33337"	1625.147666	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M-2H+Na"	20.974666
"473992"	2427.234166	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M-2H+Na"	20.974666
"850701"	823.061166	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-2H+Na"	20.974666
"1628991"	823.061166	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Na-2H"	20.974666
"104425"	819.067563	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M-H+Cl"	33.962126
"546171"	1220.110813	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M-H+Cl"	33.962126
"936403"	418.024313	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-H+Cl"	33.962126
"270956"	1639.142402	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+Cl"	34.969402
"667385"	2441.228902	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+Cl"	34.969402
"1278693"	837.055902	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Cl"	34.969402
"22345"	1641.121606	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M-2H+K"	36.948606
"459717"	2443.208106	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M-2H+K"	36.948606
"832930"	839.035106	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-2H+K"	36.948606
"1555811"	839.035106	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+K-2H"	36.948606
"942939"	847.084694	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-H+HCOOH"	44.998194
"364918"	1649.171201	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+HCOOH-H"	44.998201
"346122"	1663.186851	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+Hac-H"	59.013851
"1497634"	861.100351	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Hac-H"	59.013851
"964084"	869.066651	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-H+NaCOOH"	66.980151
"113356"	837.055902	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+2Cl"	69.938804
"559120"	1238.099152	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+2Cl"	69.938804
"1029011"	436.012652	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2Cl"	69.938804
"1251868"	881.005385	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Br"	78.918885
"1306296"	883.061372	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Cl+HCOOH"	80.974872
"1325254"	905.043329	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Cl+NaCOOH"	102.956829
"913031"	915.072086	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M-H+CF3COOH"	112.985586
"1289739"	951.048764	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Cl+CF3COOH"	148.962264
"1367085"	767.073824	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H-2H2O"	-35.012676
"1383570"	785.0838	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H-H2O"	-17.0027
"283987"	1605.180276	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+H"	1.007276
"676131"	2407.266776	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+H"	1.007276
"1352028"	803.093776	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H"	1.007276
"127593"	803.093776	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+2H"	2.014552
"565978"	1204.137026	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+2H"	2.014552
"1042768"	402.050526	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2H"	2.014552
"209575"	535.731609333333	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+3H"	3.021828
"652418"	803.093776	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+3H"	3.021828
"1165074"	268.369442666667	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+3H"	3.021828
"431631"	1622.206823	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+NH4"	18.033823
"800538"	2424.293323	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+NH4"	18.033823
"1696877"	820.120323	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+NH4"	18.033823
"345563"	811.6070495	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+H+NH4"	19.041099
"738261"	1212.6502995	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+H+NH4"	19.041099
"1492115"	410.5637995	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H+NH4"	19.041099
"408245"	1627.162218	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+Na"	22.989218
"768635"	2429.248718	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+Na"	22.989218
"1616730"	825.075718	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Na"	22.989218
"328953"	814.084747	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+H+Na"	23.996494
"722347"	1215.127997	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+H+Na"	23.996494
"1474951"	413.041497	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H+Na"	23.996494
"1066008"	275.696756666667	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2H+Na"	25.00377
"1271086"	835.119986	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+CH3OH+H"	33.033486
"390512"	1643.136158	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+K"	38.963158
"750783"	2445.222658	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+K"	38.963158
"1550647"	841.049658	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+K"	38.963158
"310739"	822.071717	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+H+K"	39.970434
"705347"	1223.114967	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+H+K"	39.970434
"1455157"	421.028467	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H+K"	39.970434
"247406"	1646.206826	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+ACN+H"	42.033826
"1215746"	844.120326	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+ACN+H"	42.033826
"1198535"	422.563801	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+ACN+2H"	43.041102
"196508"	1649.14416	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+2Na-H"	44.97116
"634974"	2451.23066	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+2Na-H"	44.97116
"1133499"	847.05766	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2Na-H"	44.97116
"172888"	825.075718	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+2Na"	45.978436
"613385"	1226.118968	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+2Na"	45.978436
"1116081"	424.032468	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2Na"	45.978436
"1398546"	283.024070666667	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H+2Na"	46.985712
"1430547"	849.099246	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H+HCOOH"	47.012746
"220040"	830.10874	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+3H2O+2H"	56.04448
"1508498"	863.15129	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+IsoProp+H"	61.06479
"408629"	833.062688	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+Na+K"	61.952376
"770035"	1234.105938	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+Na+K"	61.952376
"1665636"	432.019438	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Na+K"	61.952376
"251631"	1668.188768	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+ACN+Na"	64.015768
"1225963"	866.102268	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+ACN+Na"	64.015768
"1716805"	866.125793	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+NH4+HCOOH"	64.039293
"1190916"	290.351384666667	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+3Na"	68.967654
"1660810"	871.081188	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Na+HCOOH"	68.994688
"168765"	1681.09204	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+2K-H"	76.91904
"611608"	2483.17854	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+2K-H"	76.91904
"1097090"	879.00554	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2K-H"	76.91904
"154029"	841.049658	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"2M+2K"	77.926316
"593227"	1242.092908	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"3M+2K"	77.926316
"1072636"	440.006408	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2K"	77.926316
"1112041"	881.020092	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2K+H"	78.933592
"1346605"	881.107707	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+DMSO+H"	79.021207
"1017319"	885.146876	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2ACN+H"	83.060376
"1536539"	886.140508	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+IsoProp+Na+H"	84.054008
"1004810"	443.077076	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+2ACN+2H"	84.067652
"1594210"	887.055128	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+K+HCOOH"	84.968628
"1425337"	917.086638	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+H+CF3COOH"	115.000138
"1157815"	463.590351	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+3ACN+2H"	125.094202
"1709552"	934.113185	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+NH4+CF3COOH"	132.026685
"1645202"	939.06858	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+Na+CF3COOH"	136.98208
"1583040"	955.04252	"C17521"	"Mallotinic acid"	"C34H26O23"	"802.0865"	"M+K+CF3COOH"	152.95602
"810127"	536.2985	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M"	0
"983659"	517.28011	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-H2O-H"	-19.01839
"69713"	356.525057333333	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M-3H"	-3.021828
"505991"	535.291224	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M-3H"	-3.021828
"881605"	177.758890666667	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-3H"	-3.021828
"2367"	535.291224	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M-2H"	-2.014552
"441925"	803.440474	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M-2H"	-2.014552
"824110"	267.141974	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-2H"	-2.014552
"81913"	1071.589724	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M-H"	-1.007276
"529128"	1607.888224	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M-H"	-1.007276
"908030"	535.291224	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-H"	-1.007276
"59848"	1088.616271	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M-2H+NH4"	16.019271
"497586"	1624.914771	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M-2H+NH4"	16.019271
"871013"	552.317771	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-2H+NH4"	16.019271
"38914"	1093.571666	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M-2H+Na"	20.974666
"477381"	1629.870166	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M-2H+Na"	20.974666
"852998"	557.273166	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-2H+Na"	20.974666
"1631654"	557.273166	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Na-2H"	20.974666
"105995"	553.279563	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M-H+Cl"	33.962126
"547012"	821.428813	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M-H+Cl"	33.962126
"936513"	285.130313	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-H+Cl"	33.962126
"271066"	1107.566402	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+Cl"	34.969402
"664215"	1643.864902	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+Cl"	34.969402
"1282085"	571.267902	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Cl"	34.969402
"17716"	1109.545606	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M-2H+K"	36.948606
"458734"	1645.844106	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M-2H+K"	36.948606
"834709"	573.247106	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-2H+K"	36.948606
"1556006"	573.247106	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+K-2H"	36.948606
"943639"	581.296694	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-H+HCOOH"	44.998194
"364661"	1117.595201	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+HCOOH-H"	44.998201
"347447"	1131.610851	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+Hac-H"	59.013851
"1496651"	595.312351	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Hac-H"	59.013851
"963465"	603.278651	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-H+NaCOOH"	66.980151
"114194"	571.267902	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+2Cl"	69.938804
"558135"	839.417152	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+2Cl"	69.938804
"1027661"	303.118652	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2Cl"	69.938804
"1246145"	615.217385	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Br"	78.918885
"1309686"	617.273372	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Cl+HCOOH"	80.974872
"1325366"	639.255329	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Cl+NaCOOH"	102.956829
"912778"	649.284086	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M-H+CF3COOH"	112.985586
"1290576"	685.260764	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Cl+CF3COOH"	148.962264
"1368492"	501.285824	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H-2H2O"	-35.012676
"1383678"	519.2958	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H-H2O"	-17.0027
"284217"	1073.604276	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+H"	1.007276
"676520"	1609.902776	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+H"	1.007276
"1352139"	537.305776	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H"	1.007276
"127946"	537.305776	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+2H"	2.014552
"566902"	805.455026	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+2H"	2.014552
"1038497"	269.156526	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2H"	2.014552
"204358"	358.539609333333	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+3H"	3.021828
"644986"	537.305776	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+3H"	3.021828
"1163235"	179.773442666667	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+3H"	3.021828
"424926"	1090.630823	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+NH4"	18.033823
"801182"	1626.929323	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+NH4"	18.033823
"1696253"	554.332323	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+NH4"	18.033823
"345142"	545.8190495	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+H+NH4"	19.041099
"736957"	813.9682995	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+H+NH4"	19.041099
"1491260"	277.6697995	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H+NH4"	19.041099
"407264"	1095.586218	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+Na"	22.989218
"766190"	1631.884718	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+Na"	22.989218
"1614653"	559.287718	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Na"	22.989218
"328821"	548.296747	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+H+Na"	23.996494
"721490"	816.445997	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+H+Na"	23.996494
"1475063"	280.147497	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H+Na"	23.996494
"1066362"	187.100756666667	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2H+Na"	25.00377
"1271934"	569.331986	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+CH3OH+H"	33.033486
"391843"	1111.560158	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+K"	38.963158
"751987"	1647.858658	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+K"	38.963158
"1550757"	575.261658	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+K"	38.963158
"311944"	556.283717	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+H+K"	39.970434
"704731"	824.432967	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+H+K"	39.970434
"1460372"	288.134467	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H+K"	39.970434
"246786"	1114.630826	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+ACN+H"	42.033826
"1215127"	578.332326	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+ACN+H"	42.033826
"1194634"	289.669801	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+ACN+2H"	43.041102
"199899"	1117.56816	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+2Na-H"	44.97116
"636177"	1653.86666	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+2Na-H"	44.97116
"1134216"	581.26966	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2Na-H"	44.97116
"179694"	559.287718	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+2Na"	45.978436
"618525"	827.436968	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+2Na"	45.978436
"1120570"	291.138468	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2Na"	45.978436
"1398990"	194.428070666667	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H+2Na"	46.985712
"1431837"	583.311246	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H+HCOOH"	47.012746
"220394"	564.32074	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+3H2O+2H"	56.04448
"1509592"	597.36329	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+IsoProp+H"	61.06479
"409644"	567.274688	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+Na+K"	61.952376
"770069"	835.423938	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+Na+K"	61.952376
"1665911"	299.125438	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Na+K"	61.952376
"251665"	1136.612768	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+ACN+Na"	64.015768
"1225711"	600.314268	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+ACN+Na"	64.015768
"1719102"	600.337793	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+NH4+HCOOH"	64.039293
"1181173"	201.755384666667	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+3Na"	68.967654
"1657631"	605.293188	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Na+HCOOH"	68.994688
"171304"	1149.51604	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+2K-H"	76.91904
"607707"	1685.81454	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+2K-H"	76.91904
"1094041"	613.21754	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2K-H"	76.91904
"150860"	575.261658	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"2M+2K"	77.926316
"591512"	843.410908	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"3M+2K"	77.926316
"1077118"	307.112408	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2K"	77.926316
"1105952"	615.232092	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2K+H"	78.933592
"1346713"	615.319707	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+DMSO+H"	79.021207
"1016336"	619.358876	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2ACN+H"	83.060376
"1532276"	620.352508	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+IsoProp+Na+H"	84.054008
"1000911"	310.183076	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+2ACN+2H"	84.067652
"1592134"	621.267128	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+K+HCOOH"	84.968628
"1423261"	651.298638	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+H+CF3COOH"	115.000138
"1156829"	330.696351	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+3ACN+2H"	125.094202
"1704194"	668.325185	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+NH4+CF3COOH"	132.026685
"1638750"	673.28058	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+Na+CF3COOH"	136.98208
"1583150"	689.25452	"C17522"	"Mallogenin-3-o-alpha-L-rhamnopyranoside;Malloside"	"C29H44O9"	"536.2985"	"M+K+CF3COOH"	152.95602
"813517"	552.2934	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M"	0
"985956"	533.27501	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-H2O-H"	-19.01839
"69824"	367.188324	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M-3H"	-3.021828
"505010"	551.286124	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M-3H"	-3.021828
"883903"	183.090524	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-3H"	-3.021828
"2478"	551.286124	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M-2H"	-2.014552
"443132"	827.432824	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M-2H"	-2.014552
"819845"	275.139424	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-2H"	-2.014552
"82023"	1103.579524	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M-H"	-1.007276
"527052"	1655.872924	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M-H"	-1.007276
"904858"	551.286124	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-H"	-1.007276
"58866"	1120.606071	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M-2H+NH4"	16.019271
"498791"	1672.899471	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M-2H+NH4"	16.019271
"875501"	568.312671	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-2H+NH4"	16.019271
"40120"	1125.561466	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M-2H+Na"	20.974666
"480773"	1677.854866	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M-2H+Na"	20.974666
"856389"	573.268066	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-2H+Na"	20.974666
"1628121"	573.268066	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Na-2H"	20.974666
"106104"	569.274463	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M-H+Cl"	33.962126
"546028"	845.421163	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M-H+Cl"	33.962126
"936623"	293.127763	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-H+Cl"	33.962126
"268625"	1139.556202	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+Cl"	34.969402
"666877"	1691.849602	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+Cl"	34.969402
"1277093"	587.262802	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Cl"	34.969402
"18920"	1141.535406	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M-2H+K"	36.948606
"461031"	1693.828806	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M-2H+K"	36.948606
"834087"	589.242006	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-2H+K"	36.948606
"1556603"	589.242006	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+K-2H"	36.948606
"944364"	597.291594	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-H+HCOOH"	44.998194
"364041"	1149.585001	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+HCOOH-H"	44.998201
"347192"	1163.600651	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+Hac-H"	59.013851
"1496030"	611.307251	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Hac-H"	59.013851
"962482"	619.273551	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-H+NaCOOH"	66.980151
"111753"	587.262802	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+2Cl"	69.938804
"558609"	863.409502	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+2Cl"	69.938804
"1028501"	311.116102	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2Cl"	69.938804
"1253181"	631.212285	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Br"	78.918885
"1307244"	633.268272	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Cl+HCOOH"	80.974872
"1325840"	655.250229	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Cl+NaCOOH"	102.956829
"913252"	665.278986	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M-H+CF3COOH"	112.985586
"1289470"	701.255664	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Cl+CF3COOH"	148.962264
"1368116"	517.280724	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H-2H2O"	-35.012676
"1383180"	535.2907	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H-H2O"	-17.0027
"283231"	1105.594076	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+H"	1.007276
"676141"	1657.887476	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+H"	1.007276
"1352250"	553.300676	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H"	1.007276
"126963"	553.300676	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+2H"	2.014552
"566283"	829.447376	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+2H"	2.014552
"1038364"	277.153976	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2H"	2.014552
"205050"	369.202876	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+3H"	3.021828
"644609"	553.300676	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+3H"	3.021828
"1163224"	185.105076	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+3H"	3.021828
"424549"	1122.620623	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+NH4"	18.033823
"801007"	1674.914023	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+NH4"	18.033823
"1696603"	570.327223	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+NH4"	18.033823
"345130"	561.8139495	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+H+NH4"	19.041099
"737552"	837.9606495	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+H+NH4"	19.041099
"1492623"	285.6672495	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H+NH4"	19.041099
"408307"	1127.576018	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+Na"	22.989218
"768852"	1679.869418	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+Na"	22.989218
"1617802"	575.282618	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Na"	22.989218
"329052"	564.291647	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+H+Na"	23.996494
"722205"	840.438347	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+H+Na"	23.996494
"1475903"	288.144947	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H+Na"	23.996494
"1064286"	192.43239	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2H+Na"	25.00377
"1272372"	585.326886	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+CH3OH+H"	33.033486
"392202"	1143.549958	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+K"	38.963158
"753441"	1695.843358	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+K"	38.963158
"1553054"	591.256558	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+K"	38.963158
"312669"	572.278617	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+H+K"	39.970434
"706302"	848.425317	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+H+K"	39.970434
"1459758"	296.131917	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H+K"	39.970434
"246896"	1146.620626	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+ACN+H"	42.033826
"1216695"	594.327226	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+ACN+H"	42.033826
"1198755"	297.667251	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+ACN+2H"	43.041102
"200010"	1149.55796	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+2Na-H"	44.97116
"638474"	1701.85136	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+2Na-H"	44.97116
"1132747"	597.26456	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2Na-H"	44.97116
"180169"	575.282618	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+2Na"	45.978436
"614626"	851.429318	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+2Na"	45.978436
"1117521"	299.135918	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2Na"	45.978436
"1400924"	199.759704	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H+2Na"	46.985712
"1431947"	599.306146	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H+HCOOH"	47.012746
"220423"	580.31564	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+3H2O+2H"	56.04448
"1509823"	613.35819	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+IsoProp+H"	61.06479
"408697"	583.269588	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+Na+K"	61.952376
"770070"	859.416288	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+Na+K"	61.952376
"1666467"	307.122888	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Na+K"	61.952376
"252139"	1168.602568	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+ACN+Na"	64.015768
"1226428"	616.309168	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+ACN+Na"	64.015768
"1714838"	616.332693	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+NH4+HCOOH"	64.039293
"1178511"	207.087018	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+3Na"	68.967654
"1656648"	621.288088	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Na+HCOOH"	68.994688
"168979"	1181.50584	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+2K-H"	76.91904
"606725"	1733.79924	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+2K-H"	76.91904
"1093059"	629.21244	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2K-H"	76.91904
"149876"	591.256558	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"2M+2K"	77.926316
"588344"	867.403258	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"3M+2K"	77.926316
"1077229"	315.109858	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2K"	77.926316
"1109344"	631.226992	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2K+H"	78.933592
"1343543"	631.314607	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+DMSO+H"	79.021207
"1015353"	635.353776	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2ACN+H"	83.060376
"1531293"	636.347408	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+IsoProp+Na+H"	84.054008
"1001021"	318.180526	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+2ACN+2H"	84.067652
"1593337"	637.262028	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+K+HCOOH"	84.968628
"1423371"	667.293538	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+H+CF3COOH"	115.000138
"1151469"	338.693801	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+3ACN+2H"	125.094202
"1698835"	684.320085	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+NH4+CF3COOH"	132.026685
"1639952"	689.27548	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+Na+CF3COOH"	136.98208
"1583260"	705.24942	"C17523"	"Panogenin-3-o-alpha-L-rhamnopyranoside;Panoside"	"C29H44O10"	"552.2934"	"M+K+CF3COOH"	152.95602
"810347"	536.2985	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M"	0
"988253"	517.28011	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-H2O-H"	-19.01839
"69934"	356.525057333333	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M-3H"	-3.021828
"507307"	535.291224	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M-3H"	-3.021828
"880734"	177.758890666667	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-3H"	-3.021828
"1129"	535.291224	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M-2H"	-2.014552
"441420"	803.440474	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M-2H"	-2.014552
"818247"	267.141974	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-2H"	-2.014552
"82497"	1071.589724	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M-H"	-1.007276
"527162"	1607.888224	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M-H"	-1.007276
"901687"	535.291224	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-H"	-1.007276
"51686"	1088.616271	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M-2H+NH4"	16.019271
"493432"	1624.914771	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M-2H+NH4"	16.019271
"870144"	552.317771	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-2H+NH4"	16.019271
"36949"	1093.571666	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M-2H+Na"	20.974666
"475414"	1629.870166	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M-2H+Na"	20.974666
"853219"	557.273166	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-2H+Na"	20.974666
"1627134"	557.273166	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Na-2H"	20.974666
"104752"	553.279563	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M-H+Cl"	33.962126
"539938"	821.428813	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M-H+Cl"	33.962126
"936733"	285.130313	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-H+Cl"	33.962126
"277479"	1107.566402	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+Cl"	34.969402
"666623"	1643.864902	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+Cl"	34.969402
"1274529"	571.267902	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Cl"	34.969402
"16719"	1109.545606	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M-2H+K"	36.948606
"458590"	1645.844106	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M-2H+K"	36.948606
"833833"	573.247106	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-2H+K"	36.948606
"1556834"	573.247106	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+K-2H"	36.948606
"942805"	581.296694	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-H+HCOOH"	44.998194
"364515"	1117.595201	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+HCOOH-H"	44.998201
"346207"	1131.610851	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+Hac-H"	59.013851
"1497234"	595.312351	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Hac-H"	59.013851
"962227"	603.278651	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-H+NaCOOH"	66.980151
"112591"	571.267902	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+2Cl"	69.938804
"556168"	839.417152	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+2Cl"	69.938804
"1028247"	303.118652	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2Cl"	69.938804
"1252198"	615.217385	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Br"	78.918885
"1310272"	617.273372	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Cl+HCOOH"	80.974872
"1325586"	639.255329	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Cl+NaCOOH"	102.956829
"913726"	649.284086	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M-H+CF3COOH"	112.985586
"1290796"	685.260764	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Cl+CF3COOH"	148.962264
"1368955"	501.285824	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H-2H2O"	-35.012676
"1384263"	519.2958	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H-H2O"	-17.0027
"283095"	1073.604276	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+H"	1.007276
"676253"	1609.902776	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+H"	1.007276
"1352033"	537.305776	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H"	1.007276
"125723"	537.305776	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+2H"	2.014552
"566996"	805.455026	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+2H"	2.014552
"1039084"	269.156526	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2H"	2.014552
"204795"	358.539609333333	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+3H"	3.021828
"644843"	537.305776	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+3H"	3.021828
"1163698"	179.773442666667	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+3H"	3.021828
"425269"	1090.630823	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+NH4"	18.033823
"801113"	1626.929323	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+NH4"	18.033823
"1696787"	554.332323	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+NH4"	18.033823
"345592"	545.8190495	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+H+NH4"	19.041099
"738411"	813.9682995	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+H+NH4"	19.041099
"1492198"	277.6697995	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H+NH4"	19.041099
"407236"	1095.586218	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+Na"	22.989218
"768964"	1631.884718	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+Na"	22.989218
"1618386"	559.287718	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Na"	22.989218
"329609"	548.296747	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+H+Na"	23.996494
"721219"	816.445997	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+H+Na"	23.996494
"1475524"	280.147497	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H+Na"	23.996494
"1064396"	187.100756666667	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2H+Na"	25.00377
"1272434"	569.331986	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+CH3OH+H"	33.033486
"392630"	1111.560158	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+K"	38.963158
"754170"	1647.858658	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+K"	38.963158
"1552070"	575.261658	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+K"	38.963158
"313265"	556.283717	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+H+K"	39.970434
"706408"	824.432967	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+H+K"	39.970434
"1460595"	288.134467	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H+K"	39.970434
"245183"	1114.630826	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+ACN+H"	42.033826
"1216805"	578.332326	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+ACN+H"	42.033826
"1203968"	289.669801	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+ACN+2H"	43.041102
"201579"	1117.56816	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+2Na-H"	44.97116
"638584"	1653.86666	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+2Na-H"	44.97116
"1132857"	581.26966	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2Na-H"	44.97116
"181008"	559.287718	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+2Na"	45.978436
"615100"	827.436968	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+2Na"	45.978436
"1117874"	291.138468	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2Na"	45.978436
"1400669"	194.428070666667	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H+2Na"	46.985712
"1435337"	583.311246	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H+HCOOH"	47.012746
"220776"	564.32074	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+3H2O+2H"	56.04448
"1509685"	597.36329	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+IsoProp+H"	61.06479
"409256"	567.274688	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+Na+K"	61.952376
"771220"	835.423938	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+Na+K"	61.952376
"1666091"	299.125438	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Na+K"	61.952376
"253585"	1136.612768	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+ACN+Na"	64.015768
"1227874"	600.314268	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+ACN+Na"	64.015768
"1713852"	600.337793	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+NH4+HCOOH"	64.039293
"1181025"	201.755384666667	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+3Na"	68.967654
"1654571"	605.293188	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Na+HCOOH"	68.994688
"165808"	1149.51604	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+2K-H"	76.91904
"610475"	1685.81454	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+2K-H"	76.91904
"1094264"	613.21754	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2K-H"	76.91904
"154354"	575.261658	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"2M+2K"	77.926316
"590641"	843.410908	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"3M+2K"	77.926316
"1079891"	307.112408	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2K"	77.926316
"1109454"	615.232092	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2K+H"	78.933592
"1346933"	615.319707	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+DMSO+H"	79.021207
"1013276"	619.358876	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2ACN+H"	83.060376
"1530308"	620.352508	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+IsoProp+Na+H"	84.054008
"1002224"	310.183076	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+2ACN+2H"	84.067652
"1594539"	621.267128	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+K+HCOOH"	84.968628
"1423480"	651.298638	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+H+CF3COOH"	115.000138
"1150485"	330.696351	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+3ACN+2H"	125.094202
"1697972"	668.325185	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+NH4+CF3COOH"	132.026685
"1634837"	673.28058	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+Na+CF3COOH"	136.98208
"1583370"	689.25452	"C17524"	"Coroglaucigenin-3-o-alpha-L-rhamnopyranoside"	"C29H44O9"	"536.2985"	"M+K+CF3COOH"	152.95602
"813736"	534.2829	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M"	0
"988364"	515.26451	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-H2O-H"	-19.01839
"67858"	355.181324	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M-3H"	-3.021828
"507418"	533.275624	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M-3H"	-3.021828
"886311"	177.087024	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-3H"	-3.021828
"3792"	533.275624	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M-2H"	-2.014552
"444446"	800.417074	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M-2H"	-2.014552
"817510"	266.134174	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-2H"	-2.014552
"80420"	1067.558524	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M-H"	-1.007276
"526178"	1601.841424	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M-H"	-1.007276
"907263"	533.275624	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-H"	-1.007276
"57262"	1084.585071	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M-2H+NH4"	16.019271
"493542"	1618.867971	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M-2H+NH4"	16.019271
"873533"	550.302171	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-2H+NH4"	16.019271
"40339"	1089.540466	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M-2H+Na"	20.974666
"480992"	1623.823366	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M-2H+Na"	20.974666
"853329"	555.257566	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-2H+Na"	20.974666
"1625056"	555.257566	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Na-2H"	20.974666
"107049"	551.263963	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M-H+Cl"	33.962126
"543329"	818.405413	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M-H+Cl"	33.962126
"936844"	284.122513	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-H+Cl"	33.962126
"271028"	1103.535202	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+Cl"	34.969402
"667826"	1637.818102	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+Cl"	34.969402
"1278406"	569.252302	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Cl"	34.969402
"19868"	1105.514406	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M-2H+K"	36.948606
"461250"	1639.797306	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M-2H+K"	36.948606
"833213"	571.231506	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-2H+K"	36.948606
"1557190"	571.231506	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+K-2H"	36.948606
"944345"	579.281094	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-H+HCOOH"	44.998194
"363169"	1113.564001	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+HCOOH-H"	44.998201
"347051"	1127.579651	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+Hac-H"	59.013851
"1497348"	593.296751	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Hac-H"	59.013851
"961606"	601.263051	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-H+NaCOOH"	66.980151
"111973"	569.252302	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+2Cl"	69.938804
"554820"	836.393752	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+2Cl"	69.938804
"1027628"	302.110852	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2Cl"	69.938804
"1252308"	613.201785	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Br"	78.918885
"1310382"	615.257772	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Cl+HCOOH"	80.974872
"1323508"	637.239729	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Cl+NaCOOH"	102.956829
"914562"	647.268486	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M-H+CF3COOH"	112.985586
"1291270"	683.245164	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Cl+CF3COOH"	148.962264
"1367603"	499.270224	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H-2H2O"	-35.012676
"1384739"	517.2802	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H-H2O"	-17.0027
"284790"	1069.573076	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+H"	1.007276
"676235"	1603.855976	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+H"	1.007276
"1351861"	535.290176	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H"	1.007276
"125964"	535.290176	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+2H"	2.014552
"567108"	802.431626	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+2H"	2.014552
"1039558"	268.148726	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2H"	2.014552
"204907"	357.195876	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+3H"	3.021828
"645318"	535.290176	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+3H"	3.021828
"1163688"	179.101576	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+3H"	3.021828
"424367"	1086.599623	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+NH4"	18.033823
"801100"	1620.882523	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+NH4"	18.033823
"1696092"	552.316723	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+NH4"	18.033823
"345183"	543.8034495	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+H+NH4"	19.041099
"738091"	810.9448995	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+H+NH4"	19.041099
"1491582"	276.6619995	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H+NH4"	19.041099
"406618"	1091.555018	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+Na"	22.989218
"767252"	1625.837918	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+Na"	22.989218
"1615350"	557.272118	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Na"	22.989218
"328299"	546.281147	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+H+Na"	23.996494
"720720"	813.422597	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+H+Na"	23.996494
"1474179"	279.139697	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H+Na"	23.996494
"1065236"	186.42889	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2H+Na"	25.00377
"1271653"	567.316386	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+CH3OH+H"	33.033486
"392417"	1107.528958	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+K"	38.963158
"750495"	1641.811858	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+K"	38.963158
"1549994"	573.246058	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+K"	38.963158
"313004"	554.268117	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+H+K"	39.970434
"704697"	821.409567	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+H+K"	39.970434
"1458517"	287.126667	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H+K"	39.970434
"245293"	1110.599626	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+ACN+H"	42.033826
"1219102"	576.316726	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+ACN+H"	42.033826
"1200797"	288.662001	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+ACN+2H"	43.041102
"198042"	1113.53696	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+2Na-H"	44.97116
"640881"	1647.81986	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+2Na-H"	44.97116
"1135642"	579.25406	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2Na-H"	44.97116
"185490"	557.272118	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+2Na"	45.978436
"620679"	824.413568	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+2Na"	45.978436
"1118715"	290.130668	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2Na"	45.978436
"1402604"	193.756204	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H+2Na"	46.985712
"1435448"	581.295646	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H+HCOOH"	47.012746
"221497"	562.30514	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+3H2O+2H"	56.04448
"1509314"	595.34769	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+IsoProp+H"	61.06479
"409974"	565.259088	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+Na+K"	61.952376
"771333"	832.400538	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+Na+K"	61.952376
"1666811"	298.117638	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Na+K"	61.952376
"253454"	1132.581568	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+ACN+Na"	64.015768
"1228354"	598.298668	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+ACN+Na"	64.015768
"1717245"	598.322193	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+NH4+HCOOH"	64.039293
"1179319"	201.083518	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+3Na"	68.967654
"1656867"	603.277588	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Na+HCOOH"	68.994688
"163730"	1145.48484	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+2K-H"	76.91904
"611922"	1679.76774	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+2K-H"	76.91904
"1097286"	611.20194	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2K-H"	76.91904
"154831"	573.246058	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"2M+2K"	77.926316
"591843"	840.387508	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"3M+2K"	77.926316
"1079635"	306.104608	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2K"	77.926316
"1109564"	613.216492	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2K+H"	78.933592
"1345950"	613.304107	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+DMSO+H"	79.021207
"1014480"	617.343276	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2ACN+H"	83.060376
"1535884"	618.336908	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+IsoProp+Na+H"	84.054008
"1001240"	309.175276	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+2ACN+2H"	84.067652
"1592464"	619.251528	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+K+HCOOH"	84.968628
"1425777"	649.283038	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+H+CF3COOH"	115.000138
"1151688"	329.688551	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+3ACN+2H"	125.094202
"1702336"	666.309585	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+NH4+CF3COOH"	132.026685
"1639080"	671.26498	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+Na+CF3COOH"	136.98208
"1583480"	687.23892	"C17525"	"Corotoxigenin-3-O-alpha-L-rhamnopyranoside"	"C29H42O9"	"534.2829"	"M+K+CF3COOH"	152.95602
"813846"	710.3514	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M"	0
"988351"	691.33301	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-H2O-H"	-19.01839
"66875"	472.560324	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M-3H"	-3.021828
"507528"	709.344124	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M-3H"	-3.021828
"886422"	235.776524	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-3H"	-3.021828
"9"	709.344124	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M-2H"	-2.014552
"443463"	1064.519824	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M-2H"	-2.014552
"817254"	354.168424	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-2H"	-2.014552
"80530"	1419.695524	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M-H"	-1.007276
"527382"	2130.046924	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M-H"	-1.007276
"901906"	709.344124	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-H"	-1.007276
"54092"	1436.722071	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M-2H+NH4"	16.019271
"492559"	2147.073471	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M-2H+NH4"	16.019271
"872550"	726.370671	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-2H+NH4"	16.019271
"37170"	1441.677466	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M-2H+Na"	20.974666
"481102"	2152.028866	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M-2H+Na"	20.974666
"852346"	731.326066	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-2H+Na"	20.974666
"1625166"	731.326066	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Na-2H"	20.974666
"102788"	727.332463	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M-H+Cl"	33.962126
"539069"	1082.508163	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M-H+Cl"	33.962126
"933674"	372.156763	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-H+Cl"	33.962126
"272231"	1455.672202	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+Cl"	34.969402
"667934"	2166.023602	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+Cl"	34.969402
"1277056"	745.320802	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Cl"	34.969402
"16691"	1457.651406	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M-2H+K"	36.948606
"459537"	2168.002806	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M-2H+K"	36.948606
"833814"	747.300006	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-2H+K"	36.948606
"1555803"	747.300006	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+K-2H"	36.948606
"943605"	755.349594	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-H+HCOOH"	44.998194
"362914"	1465.701001	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+HCOOH-H"	44.998201
"346309"	1479.716651	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+Hac-H"	59.013851
"1498186"	769.365251	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Hac-H"	59.013851
"960624"	777.331551	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-H+NaCOOH"	66.980151
"112083"	745.320802	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+2Cl"	69.938804
"555295"	1100.496502	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+2Cl"	69.938804
"1029561"	390.145102	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2Cl"	69.938804
"1252418"	789.270285	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Br"	78.918885
"1310127"	791.326272	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Cl+HCOOH"	80.974872
"1323254"	813.308229	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Cl+NaCOOH"	102.956829
"913216"	823.336986	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M-H+CF3COOH"	112.985586
"1289923"	859.313664	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Cl+CF3COOH"	148.962264
"1368813"	675.338724	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H-2H2O"	-35.012676
"1384850"	693.3487	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H-H2O"	-17.0027
"287091"	1421.710076	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+H"	1.007276
"676347"	2132.061476	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+H"	1.007276
"1352582"	711.358676	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H"	1.007276
"126199"	711.358676	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+2H"	2.014552
"566855"	1066.534376	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+2H"	2.014552
"1039668"	356.182976	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2H"	2.014552
"205261"	474.574876	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+3H"	3.021828
"645307"	711.358676	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+3H"	3.021828
"1163434"	237.791076	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+3H"	3.021828
"424436"	1438.736623	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+NH4"	18.033823
"801253"	2149.088023	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+NH4"	18.033823
"1696561"	728.385223	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+NH4"	18.033823
"345254"	719.8719495	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+H+NH4"	19.041099
"738463"	1075.0476495	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+H+NH4"	19.041099
"1491692"	364.6962495	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H+NH4"	19.041099
"408145"	1443.692018	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+Na"	22.989218
"764809"	2154.043418	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+Na"	22.989218
"1615093"	733.340618	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Na"	22.989218
"327316"	722.349647	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+H+Na"	23.996494
"719737"	1077.525347	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+H+Na"	23.996494
"1474287"	367.173947	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H+Na"	23.996494
"1064982"	245.11839	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2H+Na"	25.00377
"1271764"	743.384886	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+CH3OH+H"	33.033486
"392649"	1459.665958	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+K"	38.963158
"750969"	2170.017358	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+K"	38.963158
"1550834"	749.314558	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+K"	38.963158
"311290"	730.336617	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+H+K"	39.970434
"705534"	1085.512317	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+H+K"	39.970434
"1457895"	375.160917	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H+K"	39.970434
"245403"	1462.736626	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+ACN+H"	42.033826
"1218119"	752.385226	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+ACN+H"	42.033826
"1202000"	376.696251	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+ACN+2H"	43.041102
"194872"	1465.67396	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+2Na-H"	44.97116
"639898"	2176.02536	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+2Na-H"	44.97116
"1137573"	755.32256	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2Na-H"	44.97116
"183413"	733.340618	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+2Na"	45.978436
"618965"	1088.516318	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+2Na"	45.978436
"1123200"	378.164918	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2Na"	45.978436
"1401619"	252.445704	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H+2Na"	46.985712
"1434464"	757.364146	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H+HCOOH"	47.012746
"221606"	738.37364	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+3H2O+2H"	56.04448
"1508640"	771.41619	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+IsoProp+H"	61.06479
"408571"	741.327588	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+Na+K"	61.952376
"769945"	1096.503288	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+Na+K"	61.952376
"1666680"	386.151888	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Na+K"	61.952376
"252105"	1484.718568	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+ACN+Na"	64.015768
"1227732"	774.367168	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+ACN+Na"	64.015768
"1715169"	774.390693	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+NH4+HCOOH"	64.039293
"1179793"	259.773018	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+3Na"	68.967654
"1654790"	779.346088	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Na+HCOOH"	68.994688
"163840"	1497.62184	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+2K-H"	76.91904
"610693"	2207.97324	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+2K-H"	76.91904
"1096665"	787.27044	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2K-H"	76.91904
"153482"	749.314558	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"2M+2K"	77.926316
"591952"	1104.490258	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"3M+2K"	77.926316
"1076464"	394.138858	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2K"	77.926316
"1106392"	789.284992	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2K+H"	78.933592
"1341685"	789.372607	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+DMSO+H"	79.021207
"1012403"	793.411776	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2ACN+H"	83.060376
"1532713"	794.405408	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+IsoProp+Na+H"	84.054008
"1000254"	397.209526	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+2ACN+2H"	84.067652
"1594759"	795.320028	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+K+HCOOH"	84.968628
"1426615"	825.351538	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+H+CF3COOH"	115.000138
"1148640"	417.722801	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+3ACN+2H"	125.094202
"1702446"	842.378085	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+NH4+CF3COOH"	132.026685
"1639190"	847.33348	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+Na+CF3COOH"	136.98208
"1583590"	863.30742	"C17526"	"Boivinide A;Corotoxigenin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-digitalopyranoside"	"C36H54O14"	"710.3514"	"M+K+CF3COOH"	152.95602
"813956"	160.1099	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M"	0
"987489"	141.09151	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-H2O-H"	-19.01839
"66985"	105.732657333333	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M-3H"	-3.021828
"508731"	159.102624	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M-3H"	-3.021828
"885439"	52.3626906666667	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-3H"	-3.021828
"527"	159.102624	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M-2H"	-2.014552
"443573"	239.157574	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M-2H"	-2.014552
"817406"	79.047674	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-2H"	-2.014552
"80032"	319.212524	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M-H"	-1.007276
"524212"	479.322424	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M-H"	-1.007276
"898736"	159.102624	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-H"	-1.007276
"52015"	336.239071	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M-2H+NH4"	16.019271
"490482"	496.348971	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M-2H+NH4"	16.019271
"869380"	176.129171	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-2H+NH4"	16.019271
"39467"	341.194466	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M-2H+Na"	20.974666
"481212"	501.304366	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M-2H+Na"	20.974666
"855737"	181.084566	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-2H+Na"	20.974666
"1621996"	181.084566	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Na-2H"	20.974666
"100710"	177.090963	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M-H+Cl"	33.962126
"540272"	257.145913	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M-H+Cl"	33.962126
"933784"	97.036013	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-H+Cl"	33.962126
"271247"	355.189202	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+Cl"	34.969402
"666222"	515.299102	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+Cl"	34.969402
"1276072"	195.079302	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Cl"	34.969402
"16231"	357.168406	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M-2H+K"	36.948606
"457212"	517.278306	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M-2H+K"	36.948606
"835261"	197.058506	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-2H+K"	36.948606
"1555656"	197.058506	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+K-2H"	36.948606
"943836"	205.108094	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-H+HCOOH"	44.998194
"361762"	365.218001	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+HCOOH-H"	44.998201
"346095"	379.233651	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+Hac-H"	59.013851
"1493185"	219.123751	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Hac-H"	59.013851
"961827"	227.090051	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-H+NaCOOH"	66.980151
"112193"	195.079302	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+2Cl"	69.938804
"555036"	275.134252	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+2Cl"	69.938804
"1022133"	115.024352	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2Cl"	69.938804
"1248155"	239.028785	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Br"	78.918885
"1309873"	241.084772	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Cl+HCOOH"	80.974872
"1321176"	263.066729	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Cl+NaCOOH"	102.956829
"912836"	273.095486	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M-H+CF3COOH"	112.985586
"1290395"	309.072164	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Cl+CF3COOH"	148.962264
"1367501"	125.097224	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H-2H2O"	-35.012676
"1383293"	143.1072	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H-H2O"	-17.0027
"283226"	321.227076	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+H"	1.007276
"676007"	481.336976	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+H"	1.007276
"1353057"	161.117176	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H"	1.007276
"126793"	161.117176	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+2H"	2.014552
"567695"	241.172126	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+2H"	2.014552
"1039414"	81.062226	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2H"	2.014552
"205858"	107.747209333333	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+3H"	3.021828
"644806"	161.117176	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+3H"	3.021828
"1163664"	54.3772426666667	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+3H"	3.021828
"424461"	338.253623	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+NH4"	18.033823
"800710"	498.363523	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+NH4"	18.033823
"1696550"	178.143723	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+NH4"	18.033823
"344583"	169.6304495	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+H+NH4"	19.041099
"737857"	249.6853995	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+H+NH4"	19.041099
"1490706"	89.5754995	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H+NH4"	19.041099
"405379"	343.209018	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+Na"	22.989218
"763825"	503.318918	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+Na"	22.989218
"1611922"	183.099118	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Na"	22.989218
"321958"	172.108147	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+H+Na"	23.996494
"716565"	252.163097	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+H+Na"	23.996494
"1468198"	92.053197	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H+Na"	23.996494
"1060351"	61.7045566666667	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2H+Na"	25.00377
"1264217"	193.143386	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+CH3OH+H"	33.033486
"386073"	359.182958	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+K"	38.963158
"747069"	519.292858	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+K"	38.963158
"1548027"	199.073058	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+K"	38.963158
"307390"	180.095117	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+H+K"	39.970434
"704187"	260.150067	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+H+K"	39.970434
"1458005"	100.040167	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H+K"	39.970434
"244420"	362.253626	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+ACN+H"	42.033826
"1211180"	202.143726	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+ACN+H"	42.033826
"1197736"	101.575501	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+ACN+2H"	43.041102
"190608"	365.19096	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+2Na-H"	44.97116
"634542"	525.30086	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+2Na-H"	44.97116
"1132579"	205.08106	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2Na-H"	44.97116
"175139"	183.099118	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+2Na"	45.978436
"615792"	263.154068	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+2Na"	45.978436
"1118933"	103.044168	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2Na"	45.978436
"1398687"	69.0318706666667	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H+2Na"	46.985712
"1430556"	207.122646	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H+HCOOH"	47.012746
"220292"	188.13214	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+3H2O+2H"	56.04448
"1508634"	221.17469	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+IsoProp+H"	61.06479
"408728"	191.086088	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+Na+K"	61.952376
"770537"	271.141038	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+Na+K"	61.952376
"1666136"	111.031138	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Na+K"	61.952376
"251885"	384.235568	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+ACN+Na"	64.015768
"1226219"	224.125668	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+ACN+Na"	64.015768
"1713091"	224.149193	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+NH4+HCOOH"	64.039293
"1179172"	76.3591846666667	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+3Na"	68.967654
"1650647"	229.104588	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Na+HCOOH"	68.994688
"161034"	397.13884	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+2K-H"	76.91904
"608981"	557.24874	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+2K-H"	76.91904
"1096775"	237.02894	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2K-H"	76.91904
"153228"	199.073058	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"2M+2K"	77.926316
"589875"	279.128008	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"3M+2K"	77.926316
"1071108"	119.018108	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2K"	77.926316
"1106504"	239.043492	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2K+H"	78.933592
"1346168"	239.131107	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+DMSO+H"	79.021207
"1011420"	243.170276	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2ACN+H"	83.060376
"1531730"	244.163908	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+IsoProp+Na+H"	84.054008
"999271"	122.088776	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+2ACN+2H"	84.067652
"1593776"	245.078528	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+K+HCOOH"	84.968628
"1426725"	275.110038	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+H+CF3COOH"	115.000138
"1148629"	142.602051	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+3ACN+2H"	125.094202
"1702556"	292.136585	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+NH4+CF3COOH"	132.026685
"1639300"	297.09198	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+Na+CF3COOH"	136.98208
"1583700"	313.06592	"C17527"	"Rengyol"	"C8H16O3"	"160.1099"	"M+K+CF3COOH"	152.95602
"814066"	640.2003	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M"	0
"988692"	621.18191	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-H2O-H"	-19.01839
"68188"	425.792924	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M-3H"	-3.021828
"508841"	639.193024	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M-3H"	-3.021828
"887735"	212.392824	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-3H"	-3.021828
"1934"	639.193024	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M-2H"	-2.014552
"442590"	959.293174	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M-2H"	-2.014552
"818569"	319.092874	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-2H"	-2.014552
"79778"	1279.393324	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M-H"	-1.007276
"524322"	1919.593624	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M-H"	-1.007276
"898846"	639.193024	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-H"	-1.007276
"52125"	1296.419871	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M-2H+NH4"	16.019271
"490592"	1936.620171	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M-2H+NH4"	16.019271
"869490"	656.219571	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-2H+NH4"	16.019271
"39577"	1301.375266	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M-2H+Na"	20.974666
"481322"	1941.575566	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M-2H+Na"	20.974666
"858033"	661.174966	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-2H+Na"	20.974666
"1622105"	661.174966	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Na-2H"	20.974666
"99726"	657.181363	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M-H+Cl"	33.962126
"538559"	977.281513	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M-H+Cl"	33.962126
"931707"	337.081213	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-H+Cl"	33.962126
"270264"	1315.370002	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+Cl"	34.969402
"665603"	1955.570302	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+Cl"	34.969402
"1277275"	675.169702	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Cl"	34.969402
"16425"	1317.349206	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M-2H+K"	36.948606
"456471"	1957.549506	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M-2H+K"	36.948606
"832866"	677.148906	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-2H+K"	36.948606
"1557035"	677.148906	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+K-2H"	36.948606
"943458"	685.198494	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-H+HCOOH"	44.998194
"361674"	1325.398801	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+HCOOH-H"	44.998201
"346531"	1339.414451	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+Hac-H"	59.013851
"1493785"	699.214151	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Hac-H"	59.013851
"963029"	707.180451	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-H+NaCOOH"	66.980151
"114853"	675.169702	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+2Cl"	69.938804
"553322"	995.269852	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+2Cl"	69.938804
"1022120"	355.069552	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2Cl"	69.938804
"1245713"	719.119185	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Br"	78.918885
"1307064"	721.175172	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Cl+HCOOH"	80.974872
"1321647"	743.157129	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Cl+NaCOOH"	102.956829
"914895"	753.185886	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M-H+CF3COOH"	112.985586
"1289654"	789.162564	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Cl+CF3COOH"	148.962264
"1367367"	605.187624	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H-2H2O"	-35.012676
"1382806"	623.1976	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H-H2O"	-17.0027
"283296"	1281.407876	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+H"	1.007276
"675960"	1921.608176	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+H"	1.007276
"1354991"	641.207576	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H"	1.007276
"126783"	641.207576	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+2H"	2.014552
"567805"	961.307726	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+2H"	2.014552
"1041345"	321.107426	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2H"	2.014552
"208154"	427.807476	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+3H"	3.021828
"644344"	641.207576	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+3H"	3.021828
"1165111"	214.407376	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+3H"	3.021828
"426196"	1298.434423	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+NH4"	18.033823
"800939"	1938.634723	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+NH4"	18.033823
"1695928"	658.234123	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+NH4"	18.033823
"344207"	649.7208495	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+H+NH4"	19.041099
"738173"	969.8209995	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+H+NH4"	19.041099
"1491669"	329.6206995	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H+NH4"	19.041099
"407310"	1303.389818	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+Na"	22.989218
"765027"	1943.590118	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+Na"	22.989218
"1613124"	663.189518	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Na"	22.989218
"323159"	652.198547	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+H+Na"	23.996494
"716674"	972.298697	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+H+Na"	23.996494
"1470495"	332.098397	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H+Na"	23.996494
"1060462"	221.73469	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2H+Na"	25.00377
"1267607"	673.233786	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+CH3OH+H"	33.033486
"390557"	1319.363758	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+K"	38.963158
"747179"	1959.564058	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+K"	38.963158
"1552510"	679.163458	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+K"	38.963158
"310417"	660.185517	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+H+K"	39.970434
"703202"	980.285667	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+H+K"	39.970434
"1455927"	340.085367	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H+K"	39.970434
"240157"	1322.434426	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+ACN+H"	42.033826
"1212141"	682.234126	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+ACN+H"	42.033826
"1198939"	341.620701	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+ACN+2H"	43.041102
"190351"	1325.37176	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+2Na-H"	44.97116
"633558"	1965.57206	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+2Na-H"	44.97116
"1132199"	685.17146	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2Na-H"	44.97116
"176343"	663.189518	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+2Na"	45.978436
"613957"	983.289668	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+2Na"	45.978436
"1117220"	343.089368	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2Na"	45.978436
"1399283"	229.062004	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H+2Na"	46.985712
"1430668"	687.213046	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H+HCOOH"	47.012746
"220404"	668.22254	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+3H2O+2H"	56.04448
"1508637"	701.26509	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+IsoProp+H"	61.06479
"410306"	671.176488	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+Na+K"	61.952376
"770522"	991.276638	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+Na+K"	61.952376
"1665584"	351.076338	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Na+K"	61.952376
"251743"	1344.416368	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+ACN+Na"	64.015768
"1225992"	704.216068	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+ACN+Na"	64.015768
"1714653"	704.239593	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+NH4+HCOOH"	64.039293
"1179647"	236.389318	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+3Na"	68.967654
"1652822"	709.194988	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Na+HCOOH"	68.994688
"162966"	1357.31964	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+2K-H"	76.91904
"610185"	1997.51994	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+2K-H"	76.91904
"1093605"	717.11934	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2K-H"	76.91904
"148234"	679.163458	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"2M+2K"	77.926316
"585608"	999.263608	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"3M+2K"	77.926316
"1075589"	359.063308	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2K"	77.926316
"1103334"	719.133892	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2K+H"	78.933592
"1335947"	719.221507	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+DMSO+H"	79.021207
"1011531"	723.260676	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2ACN+H"	83.060376
"1530748"	724.254308	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+IsoProp+Na+H"	84.054008
"997195"	362.133976	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+2ACN+2H"	84.067652
"1591700"	725.168928	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+K+HCOOH"	84.968628
"1419546"	755.200438	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+H+CF3COOH"	115.000138
"1154209"	382.647251	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+3ACN+2H"	125.094202
"1701573"	772.226985	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+NH4+CF3COOH"	132.026685
"1636130"	777.18238	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+Na+CF3COOH"	136.98208
"1583810"	793.15632	"C17528"	"beta-Hydroxyacteoside"	"C29H36O16"	"640.2003"	"M+K+CF3COOH"	152.95602
"816364"	520.1945	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M"	0
"989818"	501.17611	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-H2O-H"	-19.01839
"78139"	345.789057333333	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M-3H"	-3.021828
"507860"	519.187224	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M-3H"	-3.021828
"886753"	172.390890666667	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-3H"	-3.021828
"9704"	519.187224	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M-2H"	-2.014552
"444160"	779.284474	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M-2H"	-2.014552
"828160"	259.089974	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-2H"	-2.014552
"80497"	1039.381724	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M-H"	-1.007276
"527712"	1559.576224	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M-H"	-1.007276
"905516"	519.187224	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-H"	-1.007276
"54422"	1056.408271	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M-2H+NH4"	16.019271
"498356"	1576.602771	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M-2H+NH4"	16.019271
"872880"	536.213771	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-2H+NH4"	16.019271
"41874"	1061.363666	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M-2H+Na"	20.974666
"481432"	1581.558166	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M-2H+Na"	20.974666
"858144"	541.169166	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-2H+Na"	20.974666
"1630599"	541.169166	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Na-2H"	20.974666
"102023"	537.175563	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M-H+Cl"	33.962126
"542677"	797.272813	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M-H+Cl"	33.962126
"935097"	277.078313	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-H+Cl"	33.962126
"272561"	1075.358402	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+Cl"	34.969402
"666441"	1595.552902	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+Cl"	34.969402
"1277385"	555.163902	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Cl"	34.969402
"21032"	1077.337606	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M-2H+K"	36.948606
"460592"	1597.532106	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M-2H+K"	36.948606
"839859"	557.143106	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-2H+K"	36.948606
"1562619"	557.143106	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+K-2H"	36.948606
"950500"	565.192694	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-H+HCOOH"	44.998194
"363976"	1085.387201	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+HCOOH-H"	44.998201
"347858"	1099.402851	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+Hac-H"	59.013851
"1497785"	579.208351	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Hac-H"	59.013851
"963505"	587.174651	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-H+NaCOOH"	66.980151
"113505"	555.163902	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+2Cl"	69.938804
"553800"	815.261152	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+2Cl"	69.938804
"1023324"	295.066652	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2Cl"	69.938804
"1246188"	599.113385	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Br"	78.918885
"1307542"	601.169372	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Cl+HCOOH"	80.974872
"1328322"	623.151329	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Cl+NaCOOH"	102.956829
"918287"	633.180086	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M-H+CF3COOH"	112.985586
"1289524"	669.156764	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Cl+CF3COOH"	148.962264
"1368780"	485.181824	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H-2H2O"	-35.012676
"1384453"	503.1918	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H-H2O"	-17.0027
"282879"	1041.396276	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+H"	1.007276
"675694"	1561.590776	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+H"	1.007276
"1356924"	521.201776	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H"	1.007276
"129813"	521.201776	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+2H"	2.014552
"571562"	781.299026	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+2H"	2.014552
"1043644"	261.104526	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2H"	2.014552
"208264"	347.803609333333	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+3H"	3.021828
"651105"	521.201776	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+3H"	3.021828
"1165224"	174.405442666667	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+3H"	3.021828
"427035"	1058.422823	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+NH4"	18.033823
"801091"	1578.617323	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+NH4"	18.033823
"1696404"	538.228323	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+NH4"	18.033823
"345173"	529.7150495	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+H+NH4"	19.041099
"737111"	789.8122995	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+H+NH4"	19.041099
"1491296"	269.6177995	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H+NH4"	19.041099
"407056"	1063.378218	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+Na"	22.989218
"761859"	1583.572718	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+Na"	22.989218
"1612142"	543.183718	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Na"	22.989218
"324366"	532.192747	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+H+Na"	23.996494
"718975"	792.289997	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+H+Na"	23.996494
"1473529"	272.095497	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H+Na"	23.996494
"1065681"	181.732756666667	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2H+Na"	25.00377
"1269182"	553.227986	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+CH3OH+H"	33.033486
"390308"	1079.352158	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+K"	38.963158
"751303"	1599.546658	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+K"	38.963158
"1553355"	559.157658	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+K"	38.963158
"312715"	540.179717	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+H+K"	39.970434
"703313"	800.276967	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+H+K"	39.970434
"1459687"	280.082467	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H+K"	39.970434
"246833"	1082.422826	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+ACN+H"	42.033826
"1215169"	562.228326	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+ACN+H"	42.033826
"1202331"	281.617801	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+ACN+2H"	43.041102
"190096"	1085.36016	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+2Na-H"	44.97116
"632575"	1605.55466	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+2Na-H"	44.97116
"1131453"	565.16566	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2Na-H"	44.97116
"182652"	543.183718	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+2Na"	45.978436
"615284"	803.280968	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+2Na"	45.978436
"1122437"	283.086468	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2Na"	45.978436
"1398662"	189.060070666667	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H+2Na"	46.985712
"1433701"	567.207246	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H+HCOOH"	47.012746
"222303"	548.21674	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+3H2O+2H"	56.04448
"1511823"	581.25929	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+IsoProp+H"	61.06479
"410052"	551.170688	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+Na+K"	61.952376
"771410"	811.267938	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+Na+K"	61.952376
"1666647"	291.073438	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Na+K"	61.952376
"252073"	1104.404768	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+ACN+Na"	64.015768
"1225746"	584.210268	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+ACN+Na"	64.015768
"1717685"	584.233793	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+NH4+HCOOH"	64.039293
"1185224"	196.387384666667	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+3Na"	68.967654
"1655121"	589.189188	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Na+HCOOH"	68.994688
"165263"	1117.30804	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+2K-H"	76.91904
"601542"	1637.50254	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+2K-H"	76.91904
"1085573"	597.11354	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2K-H"	76.91904
"147253"	559.157658	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"2M+2K"	77.926316
"582440"	819.254908	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"3M+2K"	77.926316
"1077886"	299.060408	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2K"	77.926316
"1101621"	599.128092	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2K+H"	78.933592
"1335652"	599.215707	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+DMSO+H"	79.021207
"1009452"	603.254876	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2ACN+H"	83.060376
"1531950"	604.248508	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+IsoProp+Na+H"	84.054008
"994025"	302.131076	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+2ACN+2H"	84.067652
"1590716"	605.163128	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+K+HCOOH"	84.968628
"1421841"	635.194638	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+H+CF3COOH"	115.000138
"1148120"	322.644351	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+3ACN+2H"	125.094202
"1701683"	652.221185	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+NH4+CF3COOH"	132.026685
"1634781"	657.17658	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+Na+CF3COOH"	136.98208
"1583920"	673.15052	"C17529"	"(-)-Pinoresinol glucoside"	"C26H32O11"	"520.1945"	"M+K+CF3COOH"	152.95602
"814286"	74.0368	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M"	0
"983444"	55.01841	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-H2O-H"	-19.01839
"77154"	48.3505906666667	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M-3H"	-3.021828
"511249"	73.029524	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M-3H"	-3.021828
"885770"	23.6716573333333	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-3H"	-3.021828
"7627"	73.029524	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M-2H"	-2.014552
"443906"	110.047924	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M-2H"	-2.014552
"828270"	36.011124	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-2H"	-2.014552
"78662"	147.066324	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M-H"	-1.007276
"527822"	221.103124	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M-H"	-1.007276
"902343"	73.029524	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-H"	-1.007276
"54532"	164.092871	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M-2H+NH4"	16.019271
"498102"	238.129671	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M-2H+NH4"	16.019271
"869710"	90.056071	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-2H+NH4"	16.019271
"40890"	169.048266	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M-2H+Na"	20.974666
"478262"	243.085066	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M-2H+Na"	20.974666
"857160"	95.011466	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-2H+Na"	20.974666
"1633259"	95.011466	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Na-2H"	20.974666
"102133"	91.017863	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M-H+Cl"	33.962126
"541693"	128.036263	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M-H+Cl"	33.962126
"934114"	53.999463	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-H+Cl"	33.962126
"272671"	183.043002	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+Cl"	34.969402
"665458"	257.079802	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+Cl"	34.969402
"1277495"	109.006202	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Cl"	34.969402
"17862"	185.022206	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M-2H+K"	36.948606
"458516"	259.059006	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M-2H+K"	36.948606
"843981"	110.985406	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-2H+K"	36.948606
"1562001"	110.985406	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+K-2H"	36.948606
"950975"	119.034994	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-H+HCOOH"	44.998194
"364815"	193.071801	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+HCOOH-H"	44.998201
"348332"	207.087451	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+Hac-H"	59.013851
"1496439"	133.050651	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Hac-H"	59.013851
"960336"	141.016951	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-H+NaCOOH"	66.980151
"113616"	109.006202	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+2Cl"	69.938804
"553546"	146.024602	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+2Cl"	69.938804
"1024163"	71.987802	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2Cl"	69.938804
"1246298"	152.955685	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Br"	78.918885
"1306924"	155.011672	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Cl+HCOOH"	80.974872
"1326247"	176.993629	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Cl+NaCOOH"	102.956829
"919491"	187.022386	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M-H+CF3COOH"	112.985586
"1289273"	222.999064	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Cl+CF3COOH"	148.962264
"1367347"	39.024124	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H-2H2O"	-35.012676
"1382893"	57.0341	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H-H2O"	-17.0027
"284617"	149.080876	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+H"	1.007276
"676063"	223.117676	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+H"	1.007276
"1351441"	75.044076	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H"	1.007276
"125985"	75.044076	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+2H"	2.014552
"569485"	112.062476	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+2H"	2.014552
"1041568"	38.025676	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2H"	2.014552
"208373"	50.3651426666667	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+3H"	3.021828
"645746"	75.044076	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+3H"	3.021828
"1166063"	25.6862093333333	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+3H"	3.021828
"426052"	166.107423	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+NH4"	18.033823
"801228"	240.144223	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+NH4"	18.033823
"1696676"	92.070623	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+NH4"	18.033823
"345157"	83.5573495	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+H+NH4"	19.041099
"738488"	120.5757495	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+H+NH4"	19.041099
"1492454"	46.5389495	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H+NH4"	19.041099
"408521"	171.062818	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+Na"	22.989218
"761969"	245.099618	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+Na"	22.989218
"1611159"	97.026018	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Na"	22.989218
"323382"	86.035047	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+H+Na"	23.996494
"717993"	123.053447	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+H+Na"	23.996494
"1472909"	49.016647	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H+Na"	23.996494
"1064333"	33.0135233333333	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2H+Na"	25.00377
"1270020"	107.070286	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+CH3OH+H"	33.033486
"392240"	187.036758	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+K"	38.963158
"752870"	261.073558	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+K"	38.963158
"1551639"	112.999958	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+K"	38.963158
"313189"	94.022017	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+H+K"	39.970434
"703422"	131.040417	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+H+K"	39.970434
"1460524"	57.003617	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H+K"	39.970434
"248762"	190.107426	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+ACN+H"	42.033826
"1214186"	116.070626	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+ACN+H"	42.033826
"1202443"	58.538951	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+ACN+2H"	43.041102
"190206"	193.04476	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+2Na-H"	44.97116
"634873"	267.08156	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+2Na-H"	44.97116
"1131530"	119.00796	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2Na-H"	44.97116
"181669"	97.026018	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+2Na"	45.978436
"614666"	134.044418	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+2Na"	45.978436
"1119265"	60.007618	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2Na"	45.978436
"1398566"	40.3408373333333	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H+2Na"	46.985712
"1431623"	121.049546	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H+HCOOH"	47.012746
"222779"	102.05904	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+3H2O+2H"	56.04448
"1510839"	135.10159	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+IsoProp+H"	61.06479
"409554"	105.012988	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+Na+K"	61.952376
"771155"	142.031388	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+Na+K"	61.952376
"1668582"	67.994588	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Na+K"	61.952376
"252669"	212.089368	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+ACN+Na"	64.015768
"1225896"	138.052568	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+ACN+Na"	64.015768
"1716702"	138.076093	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+NH4+HCOOH"	64.039293
"1182055"	47.6681513333333	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+3Na"	68.967654
"1654502"	143.031488	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Na+HCOOH"	68.994688
"164280"	224.99264	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+2K-H"	76.91904
"600559"	299.02944	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+2K-H"	76.91904
"1096012"	150.95584	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2K-H"	76.91904
"145176"	112.999958	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"2M+2K"	77.926316
"585830"	150.018358	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"3M+2K"	77.926316
"1076902"	75.981558	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2K"	77.926316
"1101363"	152.970392	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2K+H"	78.933592
"1336164"	153.058007	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+DMSO+H"	79.021207
"1007128"	157.097176	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2ACN+H"	83.060376
"1529874"	158.090808	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+IsoProp+Na+H"	84.054008
"996321"	79.052226	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+2ACN+2H"	84.067652
"1594106"	159.005428	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+K+HCOOH"	84.968628
"1421950"	189.036938	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+H+CF3COOH"	115.000138
"1150417"	99.565501	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+3ACN+2H"	125.094202
"1701793"	206.063485	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+NH4+CF3COOH"	132.026685
"1635255"	211.01888	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+Na+CF3COOH"	136.98208
"1584030"	226.99282	"C17530"	"Methyl acetate;Devoton;Tereton"	"C3H6O2"	"74.0368"	"M+K+CF3COOH"	152.95602
"814032"	466.1111	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M"	0
"983554"	447.09271	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-H2O-H"	-19.01839
"70703"	309.733457333333	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M-3H"	-3.021828
"504798"	465.103824	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M-3H"	-3.021828
"885880"	154.363090666667	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-3H"	-3.021828
"6644"	465.103824	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M-2H"	-2.014552
"441829"	698.159374	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M-2H"	-2.014552
"828380"	232.048274	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-2H"	-2.014552
"81810"	931.214924	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M-H"	-1.007276
"530119"	1397.326024	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M-H"	-1.007276
"904276"	465.103824	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-H"	-1.007276
"54642"	948.241471	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M-2H+NH4"	16.019271
"498942"	1414.352571	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M-2H+NH4"	16.019271
"869820"	482.130371	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-2H+NH4"	16.019271
"39908"	953.196866	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M-2H+Na"	20.974666
"478372"	1419.307966	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M-2H+Na"	20.974666
"857270"	487.085766	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-2H+Na"	20.974666
"1632642"	487.085766	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Na-2H"	20.974666
"100056"	483.092163	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M-H+Cl"	33.962126
"541803"	716.147713	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M-H+Cl"	33.962126
"930944"	250.036613	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-H+Cl"	33.962126
"270594"	967.191602	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+Cl"	34.969402
"663381"	1433.302702	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+Cl"	34.969402
"1275053"	501.080502	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Cl"	34.969402
"20161"	969.170806	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M-2H+K"	36.948606
"460814"	1435.281906	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M-2H+K"	36.948606
"846277"	503.059706	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-2H+K"	36.948606
"1563204"	503.059706	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+K-2H"	36.948606
"951085"	511.109294	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-H+HCOOH"	44.998194
"364197"	977.220401	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+HCOOH-H"	44.998201
"349173"	991.236051	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+Hac-H"	59.013851
"1494360"	525.124951	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Hac-H"	59.013851
"961175"	533.091251	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-H+NaCOOH"	66.980151
"113726"	501.080502	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+2Cl"	69.938804
"553656"	734.136052	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+2Cl"	69.938804
"1022815"	268.024952	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2Cl"	69.938804
"1246408"	545.029985	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Br"	78.918885
"1306670"	547.085972	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Cl+HCOOH"	80.974872
"1325265"	569.067929	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Cl+NaCOOH"	102.956829
"922883"	579.096686	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M-H+CF3COOH"	112.985586
"1290116"	615.073364	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Cl+CF3COOH"	148.962264
"1369005"	431.098424	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H-2H2O"	-35.012676
"1384677"	449.1084	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H-H2O"	-17.0027
"284727"	933.229476	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+H"	1.007276
"675721"	1399.340576	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+H"	1.007276
"1351512"	467.118376	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H"	1.007276
"126257"	467.118376	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+2H"	2.014552
"569595"	700.173926	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+2H"	2.014552
"1040583"	234.062826	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2H"	2.014552
"204715"	311.748009333333	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+3H"	3.021828
"644759"	467.118376	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+3H"	3.021828
"1165077"	156.377642666667	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+3H"	3.021828
"424384"	950.256023	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+NH4"	18.033823
"798102"	1416.367123	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+NH4"	18.033823
"1696260"	484.144923	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+NH4"	18.033823
"344906"	475.6316495	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+H+NH4"	19.041099
"737569"	708.6871995	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+H+NH4"	19.041099
"1491511"	242.5760995	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H+NH4"	19.041099
"406910"	955.211418	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+Na"	22.989218
"765359"	1421.322518	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+Na"	22.989218
"1612362"	489.100318	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Na"	22.989218
"322400"	478.109347	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+H+Na"	23.996494
"715915"	711.164897	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+H+Na"	23.996494
"1474113"	245.053797	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H+Na"	23.996494
"1065172"	163.704956666667	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2H+Na"	25.00377
"1269401"	499.144586	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+CH3OH+H"	33.033486
"389794"	971.185358	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+K"	38.963158
"752614"	1437.296458	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+K"	38.963158
"1551747"	505.074258	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+K"	38.963158
"312933"	486.096317	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+H+K"	39.970434
"704625"	719.151867	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+H+K"	39.970434
"1457351"	253.040767	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H+K"	39.970434
"249236"	974.256026	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+ACN+H"	42.033826
"1216483"	508.144926	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+ACN+H"	42.033826
"1202553"	254.576101	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+ACN+2H"	43.041102
"200891"	977.19336	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+2Na-H"	44.97116
"633524"	1443.30446	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+2Na-H"	44.97116
"1142864"	511.08226	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2Na-H"	44.97116
"179591"	489.100318	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+2Na"	45.978436
"616964"	722.155868	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+2Na"	45.978436
"1119740"	256.044768	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2Na"	45.978436
"1401806"	171.032270666667	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H+2Na"	46.985712
"1431006"	513.123846	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H+HCOOH"	47.012746
"223620"	494.13334	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+3H2O+2H"	56.04448
"1510948"	527.17589	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+IsoProp+H"	61.06479
"410275"	497.087288	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+Na+K"	61.952376
"771265"	730.142838	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+Na+K"	61.952376
"1668692"	264.031738	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Na+K"	61.952376
"254118"	996.237968	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+ACN+Na"	64.015768
"1225651"	530.126868	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+ACN+Na"	64.015768
"1718998"	530.150393	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+NH4+HCOOH"	64.039293
"1182166"	178.359584666667	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+3Na"	68.967654
"1654612"	535.105788	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Na+HCOOH"	68.994688
"165483"	1009.14124	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+2K-H"	76.91904
"600669"	1475.25234	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+2K-H"	76.91904
"1096118"	543.03014	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2K-H"	76.91904
"147472"	505.074258	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"2M+2K"	77.926316
"582781"	738.129808	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"3M+2K"	77.926316
"1074825"	272.018708	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2K"	77.926316
"1100626"	545.044692	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2K+H"	78.933592
"1336156"	545.132307	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+DMSO+H"	79.021207
"1007485"	549.171476	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2ACN+H"	83.060376
"1528890"	550.165108	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+IsoProp+Na+H"	84.054008
"991327"	275.089376	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+2ACN+2H"	84.067652
"1594216"	551.079728	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+K+HCOOH"	84.968628
"1422060"	581.111238	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+H+CF3COOH"	115.000138
"1151259"	295.602651	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+3ACN+2H"	125.094202
"1702996"	598.137785	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+NH4+CF3COOH"	132.026685
"1636459"	603.09318	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+Na+CF3COOH"	136.98208
"1584140"	619.06712	"C17531"	"Plantagoside"	"C21H22O12"	"466.1111"	"M+K+CF3COOH"	152.95602
"814506"	222.0641	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M"	0
"983664"	203.04571	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-H2O-H"	-19.01839
"70813"	147.035457333333	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M-3H"	-3.021828
"508186"	221.056824	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M-3H"	-3.021828
"885989"	73.0140906666667	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-3H"	-3.021828
"6754"	221.056824	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M-2H"	-2.014552
"443032"	332.088874	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M-2H"	-2.014552
"827397"	110.024774	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-2H"	-2.014552
"81920"	443.120924	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M-H"	-1.007276
"530229"	665.185024	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M-H"	-1.007276
"897095"	221.056824	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-H"	-1.007276
"56575"	460.147471	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M-2H+NH4"	16.019271
"499052"	682.211571	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M-2H+NH4"	16.019271
"869930"	238.083371	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-2H+NH4"	16.019271
"43298"	465.102866	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M-2H+Na"	20.974666
"479578"	687.166966	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M-2H+Na"	20.974666
"857380"	243.038766	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-2H+Na"	20.974666
"1632024"	243.038766	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Na-2H"	20.974666
"102353"	239.045163	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M-H+Cl"	33.962126
"540820"	350.077213	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M-H+Cl"	33.962126
"935428"	128.013113	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-H+Cl"	33.962126
"267908"	479.097602	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+Cl"	34.969402
"659953"	701.161702	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+Cl"	34.969402
"1273337"	257.033502	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Cl"	34.969402
"18082"	481.076806	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M-2H+K"	36.948606
"458372"	703.140906	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M-2H+K"	36.948606
"844205"	259.012706	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-2H+K"	36.948606
"1567692"	259.012706	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+K-2H"	36.948606
"955209"	267.062294	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-H+HCOOH"	44.998194
"372695"	489.126401	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+HCOOH-H"	44.998201
"356579"	503.142051	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+Hac-H"	59.013851
"1501036"	281.077951	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Hac-H"	59.013851
"962018"	289.044251	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-H+NaCOOH"	66.980151
"114203"	257.033502	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+2Cl"	69.938804
"553768"	368.065552	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+2Cl"	69.938804
"1024749"	146.001452	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2Cl"	69.938804
"1243966"	300.982985	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Br"	78.918885
"1314435"	303.038972	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Cl+HCOOH"	80.974872
"1327562"	325.020929	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Cl+NaCOOH"	102.956829
"923722"	335.049686	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M-H+CF3COOH"	112.985586
"1298606"	371.026364	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Cl+CF3COOH"	148.962264
"1372396"	187.051424	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H-2H2O"	-35.012676
"1394264"	205.0614	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H-H2O"	-17.0027
"293951"	445.135476	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+H"	1.007276
"679812"	667.199576	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+H"	1.007276
"1360535"	223.071376	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H"	1.007276
"130143"	223.071376	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+2H"	2.014552
"569705"	334.103426	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+2H"	2.014552
"1038871"	112.039326	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2H"	2.014552
"208595"	149.050009333333	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+3H"	3.021828
"651436"	223.071376	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+3H"	3.021828
"1166283"	75.0286426666667	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+3H"	3.021828
"427367"	462.162023	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+NH4"	18.033823
"798212"	684.226123	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+NH4"	18.033823
"1695764"	240.097923	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+NH4"	18.033823
"344403"	231.5846495	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+H+NH4"	19.041099
"736706"	342.6166995	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+H+NH4"	19.041099
"1491256"	120.5525995	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H+NH4"	19.041099
"405560"	467.117418	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+Na"	22.989218
"765468"	689.181518	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+Na"	22.989218
"1609190"	245.053318	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Na"	22.989218
"325787"	234.062347	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+H+Na"	23.996494
"714932"	345.094397	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+H+Na"	23.996494
"1472398"	123.030297	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H+Na"	23.996494
"1065279"	82.3559566666667	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2H+Na"	25.00377
"1269871"	255.097586	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+CH3OH+H"	33.033486
"387715"	483.091358	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+K"	38.963158
"752360"	705.155458	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+K"	38.963158
"1547484"	261.027258	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+K"	38.963158
"312922"	242.049317	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+H+K"	39.970434
"701455"	353.081367	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+H+K"	39.970434
"1454181"	131.017267	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H+K"	39.970434
"250320"	486.162026	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+ACN+H"	42.033826
"1215500"	264.097926	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+ACN+H"	42.033826
"1203757"	132.552601	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+ACN+2H"	43.041102
"201974"	489.09936	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+2Na-H"	44.97116
"632907"	711.16346	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+2Na-H"	44.97116
"1141881"	267.03526	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2Na-H"	44.97116
"178241"	245.053318	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+2Na"	45.978436
"616344"	356.085368	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+2Na"	45.978436
"1118391"	134.021268	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2Na"	45.978436
"1400822"	89.6832706666667	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H+2Na"	46.985712
"1431112"	269.076846	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H+HCOOH"	47.012746
"224457"	250.08634	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+3H2O+2H"	56.04448
"1510695"	283.12889	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+IsoProp+H"	61.06479
"410020"	253.040288	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+Na+K"	61.952376
"769991"	364.072338	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+Na+K"	61.952376
"1668802"	142.008238	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Na+K"	61.952376
"254228"	508.143968	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+ACN+Na"	64.015768
"1225670"	286.079868	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+ACN+Na"	64.015768
"1713635"	286.103393	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+NH4+HCOOH"	64.039293
"1183366"	97.0105846666667	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+3Na"	68.967654
"1657637"	291.058788	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Na+HCOOH"	68.994688
"165593"	521.04724	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+2K-H"	76.91904
"600050"	743.11134	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+2K-H"	76.91904
"1087844"	298.98314	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2K-H"	76.91904
"142594"	261.027258	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"2M+2K"	77.926316
"583861"	372.059308	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"3M+2K"	77.926316
"1073842"	149.995208	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2K"	77.926316
"1100613"	300.997692	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2K+H"	78.933592
"1335806"	301.085307	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+DMSO+H"	79.021207
"1007593"	305.124476	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2ACN+H"	83.060376
"1525354"	306.118108	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+IsoProp+Na+H"	84.054008
"991437"	153.065876	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+2ACN+2H"	84.067652
"1592138"	307.032728	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+K+HCOOH"	84.968628
"1422169"	337.064238	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+H+CF3COOH"	115.000138
"1152462"	173.579151	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+3ACN+2H"	125.094202
"1703106"	354.090785	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+NH4+CF3COOH"	132.026685
"1634744"	359.04618	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+Na+CF3COOH"	136.98208
"1584250"	375.02012	"C17532"	"Metoxadiazone"	"C10H10N2O4"	"222.0641"	"M+K+CF3COOH"	152.95602
"811336"	330.1368	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M"	0
"980494"	311.11841	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-H2O-H"	-19.01839
"67642"	219.083924	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M-3H"	-3.021828
"507204"	329.129524	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M-3H"	-3.021828
"887192"	109.038324	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-3H"	-3.021828
"9049"	329.129524	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M-2H"	-2.014552
"443142"	494.197924	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M-2H"	-2.014552
"827508"	164.061124	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-2H"	-2.014552
"80937"	659.266324	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M-H"	-1.007276
"527060"	989.403124	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M-H"	-1.007276
"896959"	329.129524	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-H"	-1.007276
"57050"	676.292871	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M-2H+NH4"	16.019271
"497704"	1006.429671	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M-2H+NH4"	16.019271
"873320"	346.156071	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-2H+NH4"	16.019271
"44501"	681.248266	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M-2H+Na"	20.974666
"481874"	1011.385066	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M-2H+Na"	20.974666
"857490"	351.111466	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-2H+Na"	20.974666
"1632496"	351.111466	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Na-2H"	20.974666
"102463"	347.117863	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M-H+Cl"	33.962126
"540930"	512.186263	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M-H+Cl"	33.962126
"934445"	182.049463	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-H+Cl"	33.962126
"268139"	695.243002	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+Cl"	34.969402
"660475"	1025.379802	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+Cl"	34.969402
"1273568"	365.106202	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Cl"	34.969402
"17464"	697.222206	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M-2H+K"	36.948606
"457389"	1027.359006	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M-2H+K"	36.948606
"847595"	367.085406	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-2H+K"	36.948606
"1569624"	367.085406	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+K-2H"	36.948606
"956412"	375.134994	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-H+HCOOH"	44.998194
"373898"	705.271801	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+HCOOH-H"	44.998201
"356689"	719.287451	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+Hac-H"	59.013851
"1500053"	389.150651	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Hac-H"	59.013851
"963221"	397.116951	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-H+NaCOOH"	66.980151
"113949"	365.106202	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+2Cl"	69.938804
"553878"	530.174602	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+2Cl"	69.938804
"1024860"	200.037802	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2Cl"	69.938804
"1245169"	409.055685	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Br"	78.918885
"1313452"	411.111672	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Cl+HCOOH"	80.974872
"1333868"	433.093629	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Cl+NaCOOH"	102.956829
"920916"	443.122386	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M-H+CF3COOH"	112.985586
"1301997"	479.099064	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Cl+CF3COOH"	148.962264
"1375786"	295.124124	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H-2H2O"	-35.012676
"1392187"	313.1341	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H-H2O"	-17.0027
"296248"	661.280876	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+H"	1.007276
"685389"	991.417676	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+H"	1.007276
"1357365"	331.144076	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H"	1.007276
"130254"	331.144076	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+2H"	2.014552
"569815"	496.212476	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+2H"	2.014552
"1041899"	166.075676	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2H"	2.014552
"210166"	221.098476	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+3H"	3.021828
"651548"	331.144076	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+3H"	3.021828
"1167851"	111.052876	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+3H"	3.021828
"425286"	678.307423	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+NH4"	18.033823
"799415"	1008.444223	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+NH4"	18.033823
"1695383"	348.170623	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+NH4"	18.033823
"342933"	339.6573495	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+H+NH4"	19.041099
"736451"	504.7257495	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+H+NH4"	19.041099
"1491002"	174.5889495	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H+NH4"	19.041099
"407130"	683.262818	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+Na"	22.989218
"765577"	1013.399618	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+Na"	22.989218
"1613673"	353.126018	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Na"	22.989218
"324804"	342.135047	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+H+Na"	23.996494
"719778"	507.203447	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+H+Na"	23.996494
"1473236"	177.066647	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H+Na"	23.996494
"1065026"	118.38019	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2H+Na"	25.00377
"1271196"	363.170286	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+CH3OH+H"	33.033486
"391104"	699.236758	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+K"	38.963158
"750644"	1029.373558	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+K"	38.963158
"1550871"	369.099958	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+K"	38.963158
"311331"	350.122017	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+H+K"	39.970434
"701562"	515.190417	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+H+K"	39.970434
"1457570"	185.053617	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H+K"	39.970434
"243988"	702.307426	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+ACN+H"	42.033826
"1211231"	372.170626	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+ACN+H"	42.033826
"1200586"	186.588951	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+ACN+2H"	43.041102
"200018"	705.24476	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+2Na-H"	44.97116
"636297"	1035.38156	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+2Na-H"	44.97116
"1140895"	375.10796	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2Na-H"	44.97116
"179080"	353.126018	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+2Na"	45.978436
"616820"	518.194418	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+2Na"	45.978436
"1117043"	188.057618	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2Na"	45.978436
"1398618"	125.707504	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H+2Na"	46.985712
"1430084"	377.149546	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H+HCOOH"	47.012746
"220313"	358.15904	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+3H2O+2H"	56.04448
"1509224"	391.20159	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+IsoProp+H"	61.06479
"409521"	361.112988	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+Na+K"	61.952376
"770256"	526.181388	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+Na+K"	61.952376
"1665669"	196.044588	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Na+K"	61.952376
"251556"	724.289368	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+ACN+Na"	64.015768
"1225749"	394.152568	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+ACN+Na"	64.015768
"1712825"	394.176093	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+NH4+HCOOH"	64.039293
"1180197"	133.034818	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+3Na"	68.967654
"1652278"	399.131488	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Na+HCOOH"	68.994688
"158412"	737.19264	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+2K-H"	76.91904
"597606"	1067.32944	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+2K-H"	76.91904
"1087954"	407.05584	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2K-H"	76.91904
"143312"	369.099958	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"2M+2K"	77.926316
"589434"	534.168358	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"3M+2K"	77.926316
"1076139"	204.031558	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2K"	77.926316
"1103883"	409.070392	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2K+H"	78.933592
"1336623"	409.158007	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+DMSO+H"	79.021207
"1008797"	413.197176	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2ACN+H"	83.060376
"1529110"	414.190808	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+IsoProp+Na+H"	84.054008
"992276"	207.102226	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+2ACN+2H"	84.067652
"1594434"	415.105428	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+K+HCOOH"	84.968628
"1421186"	445.136938	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+H+CF3COOH"	115.000138
"1153665"	227.615501	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+3ACN+2H"	125.094202
"1708684"	462.163485	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+NH4+CF3COOH"	132.026685
"1635586"	467.11888	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+Na+CF3COOH"	136.98208
"1584360"	483.09282	"C17533"	"Gambirtannine"	"C21H18N2O2"	"330.1368"	"M+K+CF3COOH"	152.95602
"810352"	440.4018	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M"	0
"982791"	421.38341	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-H2O-H"	-19.01839
"74312"	292.593924	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M-3H"	-3.021828
"508408"	439.394524	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M-3H"	-3.021828
"891676"	145.793324	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-3H"	-3.021828
"6973"	439.394524	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M-2H"	-2.014552
"447625"	659.595424	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M-2H"	-2.014552
"822150"	219.193624	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-2H"	-2.014552
"81047"	879.796324	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M-H"	-1.007276
"521702"	1320.198124	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M-H"	-1.007276
"896948"	439.394524	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-H"	-1.007276
"48284"	896.822871	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M-2H+NH4"	16.019271
"498543"	1337.224671	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M-2H+NH4"	16.019271
"870150"	456.421071	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-2H+NH4"	16.019271
"38050"	901.778266	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M-2H+Na"	20.974666
"476515"	1342.180066	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M-2H+Na"	20.974666
"857601"	461.376466	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-2H+Na"	20.974666
"1631513"	461.376466	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Na-2H"	20.974666
"97106"	457.382863	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M-H+Cl"	33.962126
"541040"	677.583763	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M-H+Cl"	33.962126
"931274"	237.181963	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-H+Cl"	33.962126
"275300"	915.773002	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+Cl"	34.969402
"672096"	1356.174802	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+Cl"	34.969402
"1280125"	475.371202	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Cl"	34.969402
"16965"	917.752206	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M-2H+K"	36.948606
"458957"	1358.154006	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M-2H+K"	36.948606
"846972"	477.350406	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-2H+K"	36.948606
"1569003"	477.350406	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+K-2H"	36.948606
"952511"	485.399994	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-H+HCOOH"	44.998194
"372917"	925.801801	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+HCOOH-H"	44.998201
"357892"	939.817451	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+Hac-H"	59.013851
"1497976"	499.415651	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Hac-H"	59.013851
"964424"	507.381951	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-H+NaCOOH"	66.980151
"114425"	475.371202	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+2Cl"	69.938804
"560550"	695.572102	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+2Cl"	69.938804
"1026066"	255.170302	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2Cl"	69.938804
"1243458"	519.320685	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Br"	78.918885
"1313561"	521.376672	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Cl+HCOOH"	80.974872
"1331065"	543.358629	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Cl+NaCOOH"	102.956829
"924310"	553.387386	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M-H+CF3COOH"	112.985586
"1302110"	589.364064	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Cl+CF3COOH"	148.962264
"1375897"	405.389124	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H-2H2O"	-35.012676
"1397403"	423.3991	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H-H2O"	-17.0027
"294171"	881.810876	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+H"	1.007276
"687323"	1322.212676	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+H"	1.007276
"1357475"	441.409076	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H"	1.007276
"133645"	441.409076	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+2H"	2.014552
"569925"	661.609976	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+2H"	2.014552
"1043104"	221.208176	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2H"	2.014552
"214287"	294.608476	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+3H"	3.021828
"646557"	441.409076	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+3H"	3.021828
"1169785"	147.807876	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+3H"	3.021828
"426494"	898.837423	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+NH4"	18.033823
"789676"	1339.239223	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+NH4"	18.033823
"1687100"	458.435623	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+NH4"	18.033823
"341951"	449.9223495	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+H+NH4"	19.041099
"736560"	670.1232495	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+H+NH4"	19.041099
"1489289"	229.7214495	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H+NH4"	19.041099
"407243"	903.792818	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+Na"	22.989218
"765687"	1344.194618	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+Na"	22.989218
"1613786"	463.391018	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Na"	22.989218
"327104"	452.400047	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+H+Na"	23.996494
"720499"	672.600947	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+H+Na"	23.996494
"1473712"	232.199147	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H+Na"	23.996494
"1065499"	155.13519	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2H+Na"	25.00377
"1271429"	473.435286	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+CH3OH+H"	33.033486
"390850"	919.766758	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+K"	38.963158
"752576"	1360.168558	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+K"	38.963158
"1550981"	479.364958	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+K"	38.963158
"312898"	460.387017	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+H+K"	39.970434
"702766"	680.587917	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+H+K"	39.970434
"1456588"	240.186117	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H+K"	39.970434
"244098"	922.837426	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+ACN+H"	42.033826
"1213532"	482.435626	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+ACN+H"	42.033826
"1203977"	241.721451	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+ACN+2H"	43.041102
"200128"	925.77476	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+2Na-H"	44.97116
"637499"	1366.17656	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+2Na-H"	44.97116
"1141005"	485.37296	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2Na-H"	44.97116
"178827"	463.391018	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+2Na"	45.978436
"616567"	683.591918	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+2Na"	45.978436
"1118247"	243.190118	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2Na"	45.978436
"1400677"	162.462504	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H+2Na"	46.985712
"1432063"	487.414546	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H+HCOOH"	47.012746
"223220"	468.42404	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+3H2O+2H"	56.04448
"1510188"	501.46659	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+IsoProp+H"	61.06479
"409872"	471.377988	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+Na+K"	61.952376
"770261"	691.578888	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+Na+K"	61.952376
"1666585"	251.177088	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Na+K"	61.952376
"252133"	944.819368	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+ACN+Na"	64.015768
"1227878"	504.417568	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+ACN+Na"	64.015768
"1713002"	504.441093	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+NH4+HCOOH"	64.039293
"1181400"	169.789818	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+3Na"	68.967654
"1652388"	509.396488	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Na+HCOOH"	68.994688
"159616"	957.72264	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+2K-H"	76.91904
"598080"	1398.12444	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+2K-H"	76.91904
"1091344"	517.32084	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2K-H"	76.91904
"145609"	479.364958	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"2M+2K"	77.926316
"589544"	699.565858	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"3M+2K"	77.926316
"1076246"	259.164058	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2K"	77.926316
"1102899"	519.335392	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2K+H"	78.933592
"1335627"	519.423007	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+DMSO+H"	79.021207
"1010000"	523.462176	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2ACN+H"	83.060376
"1527033"	524.455808	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+IsoProp+Na+H"	84.054008
"992386"	262.234726	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+2ACN+2H"	84.067652
"1589076"	525.370428	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+K+HCOOH"	84.968628
"1418015"	555.401938	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+H+CF3COOH"	115.000138
"1152682"	282.748001	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+3ACN+2H"	125.094202
"1703326"	572.428485	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+NH4+CF3COOH"	132.026685
"1634966"	577.38388	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+Na+CF3COOH"	136.98208
"1584470"	593.35782	"C17534"	"Cylindrin"	"C31H52O"	"440.4018"	"M+K+CF3COOH"	152.95602
"813743"	232.2191	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M"	0
"986181"	213.20071	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-H2O-H"	-19.01839
"68955"	153.805457333333	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M-3H"	-3.021828
"508518"	231.211824	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M-3H"	-3.021828
"889599"	76.3990906666667	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-3H"	-3.021828
"7083"	231.211824	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M-2H"	-2.014552
"447735"	347.321374	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M-2H"	-2.014552
"823353"	115.102274	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-2H"	-2.014552
"81157"	463.430924	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M-H"	-1.007276
"522905"	695.650024	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M-H"	-1.007276
"896695"	231.211824	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-H"	-1.007276
"48640"	480.457471	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M-2H+NH4"	16.019271
"497924"	712.676571	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M-2H+NH4"	16.019271
"871350"	248.238371	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-2H+NH4"	16.019271
"39253"	485.412866	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M-2H+Na"	20.974666
"478813"	717.631966	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M-2H+Na"	20.974666
"857710"	253.193766	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-2H+Na"	20.974666
"1627248"	253.193766	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Na-2H"	20.974666
"103778"	249.200163	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M-H+Cl"	33.962126
"537870"	365.309713	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M-H+Cl"	33.962126
"931384"	133.090613	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-H+Cl"	33.962126
"277598"	499.407602	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+Cl"	34.969402
"674272"	731.626702	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+Cl"	34.969402
"1280234"	267.188502	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Cl"	34.969402
"18778"	501.386806	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M-2H+K"	36.948606
"459067"	733.605906	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M-2H+K"	36.948606
"844531"	269.167706	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-2H+K"	36.948606
"1562551"	269.167706	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+K-2H"	36.948606
"950434"	277.217294	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-H+HCOOH"	44.998194
"374120"	509.436401	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+HCOOH-H"	44.998201
"354721"	523.452051	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+Hac-H"	59.013851
"1500272"	291.232951	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Hac-H"	59.013851
"965627"	299.199251	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-H+NaCOOH"	66.980151
"112345"	267.188502	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+2Cl"	69.938804
"557377"	383.298052	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+2Cl"	69.938804
"1026176"	151.078952	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2Cl"	69.938804
"1245754"	311.137985	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Br"	78.918885
"1310391"	313.193972	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Cl+HCOOH"	80.974872
"1334697"	335.175929	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Cl+NaCOOH"	102.956829
"917857"	345.204686	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M-H+CF3COOH"	112.985586
"1302582"	381.181364	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Cl+CF3COOH"	148.962264
"1372727"	197.206424	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H-2H2O"	-35.012676
"1392408"	215.2164	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H-H2O"	-17.0027
"292094"	465.445476	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+H"	1.007276
"683423"	697.664576	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+H"	1.007276
"1357585"	233.226376	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H"	1.007276
"131567"	233.226376	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+2H"	2.014552
"570035"	349.335926	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+2H"	2.014552
"1043214"	117.116826	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2H"	2.014552
"214397"	155.820009333333	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+3H"	3.021828
"650675"	233.226376	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+3H"	3.021828
"1170989"	78.4136426666667	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+3H"	3.021828
"425632"	482.472023	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+NH4"	18.033823
"791975"	714.691123	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+NH4"	18.033823
"1687209"	250.252923	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+NH4"	18.033823
"343519"	241.7396495	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+H+NH4"	19.041099
"735578"	357.8491995	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+H+NH4"	19.041099
"1489399"	125.6300995	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H+NH4"	19.041099
"405163"	487.427418	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+Na"	22.989218
"765797"	719.646518	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+Na"	22.989218
"1614987"	255.208318	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Na"	22.989218
"325754"	244.217347	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+H+Na"	23.996494
"721455"	360.326897	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+H+Na"	23.996494
"1475280"	128.107797	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H+Na"	23.996494
"1067432"	85.7409566666667	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2H+Na"	25.00377
"1270927"	265.252586	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+CH3OH+H"	33.033486
"390230"	503.401358	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+K"	38.963158
"751229"	735.620458	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+K"	38.963158
"1548904"	271.182258	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+K"	38.963158
"312278"	252.204317	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+H+K"	39.970434
"703605"	368.313867	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+H+K"	39.970434
"1457791"	136.094767	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H+K"	39.970434
"244208"	506.472026	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+ACN+H"	42.033826
"1216923"	274.252926	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+ACN+H"	42.033826
"1201900"	137.630101	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+ACN+2H"	43.041102
"200238"	509.40936	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+2Na-H"	44.97116
"636516"	741.62846	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+2Na-H"	44.97116
"1141114"	277.19026	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2Na-H"	44.97116
"178937"	255.208318	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+2Na"	45.978436
"618864"	371.317868	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+2Na"	45.978436
"1117142"	139.098768	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2Na"	45.978436
"1399571"	93.0682706666667	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H+2Na"	46.985712
"1430469"	279.231846	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H+HCOOH"	47.012746
"222236"	260.24134	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+3H2O+2H"	56.04448
"1509568"	293.28389	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+IsoProp+H"	61.06479
"409614"	263.195288	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+Na+K"	61.952376
"770848"	379.304838	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+Na+K"	61.952376
"1665885"	147.085738	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Na+K"	61.952376
"251718"	528.453968	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+ACN+Na"	64.015768
"1226291"	296.234868	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+ACN+Na"	64.015768
"1713358"	296.258393	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+NH4+HCOOH"	64.039293
"1180538"	100.395584666667	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+3Na"	68.967654
"1651403"	301.213788	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Na+HCOOH"	68.994688
"159726"	541.35724	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+2K-H"	76.91904
"598432"	773.57634	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+2K-H"	76.91904
"1088174"	309.13814	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2K-H"	76.91904
"143531"	271.182258	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"2M+2K"	77.926316
"589654"	387.291808	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"3M+2K"	77.926316
"1078543"	155.072708	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2K"	77.926316
"1101917"	311.152692	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2K+H"	78.933592
"1336596"	311.240307	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+DMSO+H"	79.021207
"1009017"	315.279476	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2ACN+H"	83.060376
"1525319"	316.273108	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+IsoProp+Na+H"	84.054008
"992496"	158.143376	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+2ACN+2H"	84.067652
"1588335"	317.187728	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+K+HCOOH"	84.968628
"1418125"	347.219238	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+H+CF3COOH"	115.000138
"1151699"	178.656651	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+3ACN+2H"	125.094202
"1703436"	364.245785	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+NH4+CF3COOH"	132.026685
"1634424"	369.20118	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+Na+CF3COOH"	136.98208
"1574739"	385.17512	"C17535"	"Aplotaxene"	"C17H28"	"232.2191"	"M+K+CF3COOH"	152.95602
"814947"	1226.5932	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M"	0
"988115"	1207.57481	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-H2O-H"	-19.01839
"74533"	816.721524	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M-3H"	-3.021828
"508629"	1225.585924	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M-3H"	-3.021828
"889709"	407.857124	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-3H"	-3.021828
"7193"	1225.585924	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M-2H"	-2.014552
"447845"	1838.882524	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M-2H"	-2.014552
"821277"	612.289324	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-2H"	-2.014552
"79080"	2452.179124	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M-H"	-1.007276
"520099"	3678.772324	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M-H"	-1.007276
"896442"	1225.585924	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-H"	-1.007276
"48629"	2469.205671	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M-2H+NH4"	16.019271
"495847"	3695.798871	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M-2H+NH4"	16.019271
"868180"	1242.612471	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-2H+NH4"	16.019271
"39363"	2474.161066	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M-2H+Na"	20.974666
"478923"	3700.754266	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M-2H+Na"	20.974666
"856728"	1247.567866	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-2H+Na"	20.974666
"1625168"	1247.567866	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Na-2H"	20.974666
"104981"	1243.574263	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M-H+Cl"	33.962126
"541260"	1856.870863	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M-H+Cl"	33.962126
"931494"	630.277663	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-H+Cl"	33.962126
"277708"	2488.155802	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+Cl"	34.969402
"674382"	3714.749002	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+Cl"	34.969402
"1279251"	1261.562602	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Cl"	34.969402
"20346"	2490.135006	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M-2H+K"	36.948606
"460635"	3716.728206	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M-2H+K"	36.948606
"839172"	1263.541806	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-2H+K"	36.948606
"1567034"	1263.541806	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+K-2H"	36.948606
"949449"	1271.591394	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-H+HCOOH"	44.998194
"369854"	2498.184601	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+HCOOH-H"	44.998201
"351550"	2512.200251	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+Hac-H"	59.013851
"1494914"	1285.607051	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Hac-H"	59.013851
"965737"	1293.573351	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-H+NaCOOH"	66.980151
"112089"	1261.562602	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+2Cl"	69.938804
"557487"	1874.859202	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+2Cl"	69.938804
"1026286"	648.266002	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2Cl"	69.938804
"1243678"	1305.512085	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Br"	78.918885
"1313781"	1307.568072	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Cl+HCOOH"	80.974872
"1334970"	1329.550029	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Cl+NaCOOH"	102.956829
"922340"	1339.578786	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M-H+CF3COOH"	112.985586
"1304033"	1375.555464	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Cl+CF3COOH"	148.962264
"1379397"	1191.580524	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H-2H2O"	-35.012676
"1396892"	1209.5905	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H-H2O"	-17.0027
"292204"	2454.193676	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+H"	1.007276
"690095"	3680.786876	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+H"	1.007276
"1363163"	1227.600476	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H"	1.007276
"134957"	1227.600476	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+2H"	2.014552
"575612"	1840.897076	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+2H"	2.014552
"1042231"	614.303876	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2H"	2.014552
"212319"	818.736076	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+3H"	3.021828
"650786"	1227.600476	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+3H"	3.021828
"1171099"	409.871676	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+3H"	3.021828
"429996"	2471.220223	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+NH4"	18.033823
"793178"	3697.813423	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+NH4"	18.033823
"1684039"	1244.627023	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+NH4"	18.033823
"334504"	1236.1137495	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+H+NH4"	19.041099
"733497"	1849.4103495	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+H+NH4"	19.041099
"1490601"	622.8171495	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H+NH4"	19.041099
"400533"	2476.175618	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+Na"	22.989218
"768092"	3702.768818	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+Na"	22.989218
"1615827"	1249.582418	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Na"	22.989218
"326228"	1238.591447	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+H+Na"	23.996494
"720719"	1851.888047	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+H+Na"	23.996494
"1475753"	625.294847	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H+Na"	23.996494
"1067947"	417.19899	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2H+Na"	25.00377
"1271037"	1259.626686	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+CH3OH+H"	33.033486
"390340"	2492.149558	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+K"	38.963158
"750974"	3718.742758	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+K"	38.963158
"1550112"	1265.556358	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+K"	38.963158
"311659"	1246.578417	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+H+K"	39.970434
"697519"	1859.875017	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+H+K"	39.970434
"1453527"	633.281817	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H+K"	39.970434
"244318"	2495.220226	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+ACN+H"	42.033826
"1215210"	1268.627026	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+ACN+H"	42.033826
"1203103"	634.817151	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+ACN+2H"	43.041102
"194881"	2498.15756	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+2Na-H"	44.97116
"631525"	3724.75076	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+2Na-H"	44.97116
"1133937"	1271.56436	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2Na-H"	44.97116
"175766"	1249.582418	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+2Na"	45.978436
"616787"	1862.879018	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+2Na"	45.978436
"1117736"	636.285818	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2Na"	45.978436
"1402360"	424.526304	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H+2Na"	46.985712
"1434111"	1273.605946	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H+HCOOH"	47.012746
"223806"	1254.61544	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+3H2O+2H"	56.04448
"1510770"	1287.65799	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+IsoProp+H"	61.06479
"410460"	1257.569388	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+Na+K"	61.952376
"771815"	1870.865988	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+Na+K"	61.952376
"1667058"	644.272788	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Na+K"	61.952376
"252723"	2517.202168	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+ACN+Na"	64.015768
"1227006"	1290.608968	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+ACN+Na"	64.015768
"1716267"	1290.632493	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+NH4+HCOOH"	64.039293
"1185999"	431.853618	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+3Na"	68.967654
"1658077"	1295.587888	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Na+HCOOH"	68.994688
"166032"	2530.10544	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+2K-H"	76.91904
"599514"	3756.69864	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+2K-H"	76.91904
"1091200"	1303.51224	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2K-H"	76.91904
"144368"	1265.556358	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"2M+2K"	77.926316
"589764"	1878.852958	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"3M+2K"	77.926316
"1080112"	652.259758	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2K"	77.926316
"1103120"	1305.526792	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2K+H"	78.933592
"1336010"	1305.614407	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+DMSO+H"	79.021207
"1005875"	1309.653576	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2ACN+H"	83.060376
"1524937"	1310.647208	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+IsoProp+Na+H"	84.054008
"991756"	655.330426	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+2ACN+2H"	84.067652
"1594765"	1311.561828	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+K+HCOOH"	84.968628
"1418235"	1341.593338	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+H+CF3COOH"	115.000138
"1152903"	675.843701	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+3ACN+2H"	125.094202
"1700266"	1358.619885	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+NH4+CF3COOH"	132.026685
"1643572"	1363.57528	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+Na+CF3COOH"	136.98208
"1574849"	1379.54922	"C17536"	"Sibiricoside A"	"C57H94O28"	"1226.5932"	"M+K+CF3COOH"	152.95602
"805213"	1064.504	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M"	0
"988590"	1045.48561	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-H2O-H"	-19.01839
"77196"	708.662057333333	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M-3H"	-3.021828
"516391"	1063.496724	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M-3H"	-3.021828
"892005"	353.827390666667	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-3H"	-3.021828
"6210"	1063.496724	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M-2H"	-2.014552
"447956"	1595.748724	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M-2H"	-2.014552
"820294"	531.244724	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-2H"	-2.014552
"78946"	2128.000724	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M-H"	-1.007276
"519115"	3192.504724	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M-H"	-1.007276
"900928"	1063.496724	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-H"	-1.007276
"49834"	2145.027271	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M-2H+NH4"	16.019271
"497780"	3209.531271	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M-2H+NH4"	16.019271
"868290"	1080.523271	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-2H+NH4"	16.019271
"40567"	2149.982666	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M-2H+Na"	20.974666
"479033"	3214.486666	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M-2H+Na"	20.974666
"855746"	1085.478666	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-2H+Na"	20.974666
"1624186"	1085.478666	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Na-2H"	20.974666
"106186"	1081.485063	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M-H+Cl"	33.962126
"541371"	1613.737063	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M-H+Cl"	33.962126
"931604"	549.233063	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-H+Cl"	33.962126
"277818"	2163.977402	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+Cl"	34.969402
"672427"	3228.481402	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+Cl"	34.969402
"1279361"	1099.473402	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Cl"	34.969402
"24104"	2165.956606	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M-2H+K"	36.948606
"460745"	3230.460606	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M-2H+K"	36.948606
"841469"	1101.452606	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-2H+K"	36.948606
"1567145"	1101.452606	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+K-2H"	36.948606
"949559"	1109.502194	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-H+HCOOH"	44.998194
"364496"	2174.006201	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+HCOOH-H"	44.998201
"346193"	2188.021851	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+Hac-H"	59.013851
"1494295"	1123.517851	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Hac-H"	59.013851
"962567"	1131.484151	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-H+NaCOOH"	66.980151
"111105"	1099.473402	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+2Cl"	69.938804
"554317"	1631.725402	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+2Cl"	69.938804
"1026396"	567.221402	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2Cl"	69.938804
"1244516"	1143.422885	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Br"	78.918885
"1313891"	1145.478872	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Cl+HCOOH"	80.974872
"1332486"	1167.460829	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Cl+NaCOOH"	102.956829
"922450"	1177.489586	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M-H+CF3COOH"	112.985586
"1303617"	1213.466264	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Cl+CF3COOH"	148.962264
"1382305"	1029.491324	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H-2H2O"	-35.012676
"1396276"	1047.5013	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H-H2O"	-17.0027
"293407"	2130.015276	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+H"	1.007276
"688017"	3194.519276	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+H"	1.007276
"1359995"	1065.511276	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H"	1.007276
"132882"	1065.511276	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+2H"	2.014552
"575722"	1597.763276	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+2H"	2.014552
"1042341"	533.259276	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2H"	2.014552
"213523"	710.676609333333	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+3H"	3.021828
"650897"	1065.511276	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+3H"	3.021828
"1170116"	355.841942666667	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+3H"	3.021828
"429013"	2147.041823	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+NH4"	18.033823
"792195"	3211.545823	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+NH4"	18.033823
"1684149"	1082.537823	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+NH4"	18.033823
"335708"	1074.0245495	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+H+NH4"	19.041099
"732513"	1606.2765495	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+H+NH4"	19.041099
"1487432"	541.7725495	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H+NH4"	19.041099
"406111"	2151.997218	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+Na"	22.989218
"765652"	3216.501218	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+Na"	22.989218
"1614114"	1087.493218	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Na"	22.989218
"326704"	1076.502247	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+H+Na"	23.996494
"719129"	1608.754247	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+H+Na"	23.996494
"1474042"	544.250247	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H+Na"	23.996494
"1065464"	363.169256666667	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2H+Na"	25.00377
"1269324"	1097.537486	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+CH3OH+H"	33.033486
"389361"	2167.971158	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+K"	38.963158
"749261"	3232.475158	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+K"	38.963158
"1548034"	1103.467158	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+K"	38.963158
"304114"	1084.489217	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+H+K"	39.970434
"700910"	1616.741217	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+H+K"	39.970434
"1452543"	552.237217	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H+K"	39.970434
"243335"	2171.041826	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+ACN+H"	42.033826
"1216414"	1106.537826	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+ACN+H"	42.033826
"1201026"	553.772551	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+ACN+2H"	43.041102
"192439"	2173.97916	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+2Na-H"	44.97116
"636008"	3238.48316	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+2Na-H"	44.97116
"1135140"	1109.47516	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2Na-H"	44.97116
"174056"	1087.493218	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+2Na"	45.978436
"616897"	1619.745218	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+2Na"	45.978436
"1116390"	555.241218	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2Na"	45.978436
"1403199"	370.496570666667	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H+2Na"	46.985712
"1435314"	1111.516746	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H+HCOOH"	47.012746
"223916"	1092.52624	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+3H2O+2H"	56.04448
"1509790"	1125.56879	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+IsoProp+H"	61.06479
"410206"	1095.480188	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+Na+K"	61.952376
"770268"	1627.732188	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+Na+K"	61.952376
"1666439"	563.228188	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Na+K"	61.952376
"251510"	2193.023768	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+ACN+Na"	64.015768
"1226390"	1128.519768	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+ACN+Na"	64.015768
"1716377"	1128.543293	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+NH4+HCOOH"	64.039293
"1190119"	377.823884666667	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+3Na"	68.967654
"1658187"	1133.498688	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Na+HCOOH"	68.994688
"166142"	2205.92704	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+2K-H"	76.91904
"598532"	3270.43104	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+2K-H"	76.91904
"1091310"	1141.42304	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2K-H"	76.91904
"145938"	1103.467158	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"2M+2K"	77.926316
"590968"	1635.719158	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"3M+2K"	77.926316
"1076576"	571.215158	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2K"	77.926316
"1104322"	1143.437592	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2K+H"	78.933592
"1336207"	1143.525207	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+DMSO+H"	79.021207
"1006194"	1147.564376	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2ACN+H"	83.060376
"1529551"	1148.558008	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+IsoProp+Na+H"	84.054008
"990892"	574.285826	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+2ACN+2H"	84.067652
"1592688"	1149.472628	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+K+HCOOH"	84.968628
"1423815"	1179.504138	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+H+CF3COOH"	115.000138
"1151919"	594.799101	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+3ACN+2H"	125.094202
"1705845"	1196.530685	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+NH4+CF3COOH"	132.026685
"1643682"	1201.48608	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+Na+CF3COOH"	136.98208
"1574959"	1217.46002	"C17537"	"Sibiricoside B"	"C50H80O24"	"1064.504"	"M+K+CF3COOH"	152.95602
"815775"	488.3502	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M"	0
"988700"	469.33181	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-H2O-H"	-19.01839
"78121"	324.559524	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M-3H"	-3.021828
"516503"	487.342924	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M-3H"	-3.021828
"894180"	161.776124	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-3H"	-3.021828
"10693"	487.342924	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M-2H"	-2.014552
"449160"	731.518024	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M-2H"	-2.014552
"820768"	243.167824	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-2H"	-2.014552
"83676"	975.693124	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M-H"	-1.007276
"528704"	1464.043324	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M-H"	-1.007276
"906505"	487.342924	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-H"	-1.007276
"57599"	992.719671	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M-2H+NH4"	16.019271
"497891"	1481.069871	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M-2H+NH4"	16.019271
"874236"	504.369471	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-2H+NH4"	16.019271
"39586"	997.675066	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M-2H+Na"	20.974666
"480240"	1486.025266	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M-2H+Na"	20.974666
"863270"	509.324866	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-2H+Na"	20.974666
"1624296"	509.324866	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Na-2H"	20.974666
"100829"	505.331263	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M-H+Cl"	33.962126
"543669"	749.506363	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M-H+Cl"	33.962126
"937184"	261.156163	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-H+Cl"	33.962126
"276836"	1011.669802	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+Cl"	34.969402
"672417"	1500.020002	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+Cl"	34.969402
"1284940"	523.319602	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Cl"	34.969402
"23122"	1013.649006	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M-2H+K"	36.948606
"463775"	1501.999206	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M-2H+K"	36.948606
"842675"	525.298806	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-2H+K"	36.948606
"1560695"	525.298806	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+K-2H"	36.948606
"947484"	533.348394	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-H+HCOOH"	44.998194
"364606"	1021.698601	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+HCOOH-H"	44.998201
"351772"	1035.714251	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+Hac-H"	59.013851
"1494768"	547.364051	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Hac-H"	59.013851
"971427"	555.330351	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-H+NaCOOH"	66.980151
"120335"	523.319602	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+2Cl"	69.938804
"554427"	767.494702	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+2Cl"	69.938804
"1030881"	279.144502	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2Cl"	69.938804
"1248274"	567.269085	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Br"	78.918885
"1315095"	569.325072	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Cl+HCOOH"	80.974872
"1332600"	591.307029	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Cl+NaCOOH"	102.956829
"924747"	601.335786	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M-H+CF3COOH"	112.985586
"1304051"	637.312464	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Cl+CF3COOH"	148.962264
"1382698"	453.337524	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H-2H2O"	-35.012676
"1398088"	471.3475	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H-H2O"	-17.0027
"297899"	977.707676	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+H"	1.007276
"683755"	1466.057876	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+H"	1.007276
"1366421"	489.357476	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H"	1.007276
"135180"	489.357476	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+2H"	2.014552
"574742"	733.532576	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+2H"	2.014552
"1051199"	245.182376	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2H"	2.014552
"216551"	326.574076	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+3H"	3.021828
"657204"	489.357476	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+3H"	3.021828
"1175694"	163.790676	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+3H"	3.021828
"431311"	994.734223	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+NH4"	18.033823
"792305"	1483.084423	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+NH4"	18.033823
"1684259"	506.384023	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+NH4"	18.033823
"335818"	497.8707495	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+H+NH4"	19.041099
"733719"	742.0458495	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+H+NH4"	19.041099
"1488636"	253.6956495	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H+NH4"	19.041099
"405493"	999.689618	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+Na"	22.989218
"765763"	1488.039818	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+Na"	22.989218
"1615319"	511.339418	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Na"	22.989218
"326449"	500.348447	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+H+Na"	23.996494
"718875"	744.523547	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+H+Na"	23.996494
"1471966"	256.173347	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H+Na"	23.996494
"1062659"	171.11799	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2H+Na"	25.00377
"1267616"	521.383686	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+CH3OH+H"	33.033486
"386195"	1015.663558	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+K"	38.963158
"748281"	1504.013758	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+K"	38.963158
"1551425"	527.313358	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+K"	38.963158
"309695"	508.335417	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+H+K"	39.970434
"698834"	752.510517	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+H+K"	39.970434
"1454842"	264.160317	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H+K"	39.970434
"243445"	1018.734226	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+ACN+H"	42.033826
"1217255"	530.384026	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+ACN+H"	42.033826
"1202230"	265.695651	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+ACN+2H"	43.041102
"195464"	1021.67156	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+2Na-H"	44.97116
"635755"	1510.02176	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+2Na-H"	44.97116
"1135979"	533.32136	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2Na-H"	44.97116
"175261"	511.339418	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+2Na"	45.978436
"617007"	755.514518	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+2Na"	45.978436
"1117962"	267.164318	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2Na"	45.978436
"1402947"	178.445304	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H+2Na"	46.985712
"1435792"	535.362946	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H+HCOOH"	47.012746
"223663"	516.37244	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+3H2O+2H"	56.04448
"1512816"	549.41499	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+IsoProp+H"	61.06479
"411046"	519.326388	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+Na+K"	61.952376
"777508"	763.501488	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+Na+K"	61.952376
"1671653"	275.151288	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Na+K"	61.952376
"253065"	1040.716168	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+ACN+Na"	64.015768
"1227232"	552.365968	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+ACN+Na"	64.015768
"1723049"	552.389493	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+NH4+HCOOH"	64.039293
"1184036"	185.772618	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+3Na"	68.967654
"1658665"	557.344888	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Na+HCOOH"	68.994688
"165162"	1053.61944	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+2K-H"	76.91904
"603626"	1541.96964	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+2K-H"	76.91904
"1088140"	565.26924	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2K-H"	76.91904
"149328"	527.313358	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"2M+2K"	77.926316
"587798"	771.488458	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"3M+2K"	77.926316
"1071219"	283.138258	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2K"	77.926316
"1100908"	567.283792	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2K+H"	78.933592
"1335949"	567.371407	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+DMSO+H"	79.021207
"1005895"	571.410576	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2ACN+H"	83.060376
"1524549"	572.404208	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+IsoProp+Na+H"	84.054008
"993194"	286.208926	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+2ACN+2H"	84.067652
"1587164"	573.318828	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+K+HCOOH"	84.968628
"1418459"	603.350338	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+H+CF3COOH"	115.000138
"1152029"	306.722201	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+3ACN+2H"	125.094202
"1702674"	620.376885	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+NH4+CF3COOH"	132.026685
"1647072"	625.33228	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+Na+CF3COOH"	136.98208
"1578349"	641.30622	"C17538"	"Cimigenol"	"C30H48O5"	"488.3502"	"M+K+CF3COOH"	152.95602
"806526"	916.5396	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M"	0
"988444"	897.52121	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-H2O-H"	-19.01839
"77778"	610.019124	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M-3H"	-3.021828
"514423"	915.532324	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M-3H"	-3.021828
"892224"	304.505924	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-3H"	-3.021828
"9710"	915.532324	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M-2H"	-2.014552
"450362"	1373.802124	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M-2H"	-2.014552
"827075"	457.262524	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-2H"	-2.014552
"83786"	1832.071924	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M-H"	-1.007276
"532828"	2748.611524	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M-H"	-1.007276
"909168"	915.532324	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-H"	-1.007276
"55523"	1849.098471	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M-2H+NH4"	16.019271
"497269"	2765.638071	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M-2H+NH4"	16.019271
"877260"	932.558871	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-2H+NH4"	16.019271
"42975"	1854.053866	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M-2H+Na"	20.974666
"483627"	2770.593466	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M-2H+Na"	20.974666
"862408"	937.514266	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-2H+Na"	20.974666
"1626592"	937.514266	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Na-2H"	20.974666
"106407"	933.520663	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M-H+Cl"	33.962126
"547669"	1391.790463	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M-H+Cl"	33.962126
"939481"	475.250863	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-H+Cl"	33.962126
"280227"	1868.048602	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+Cl"	34.969402
"670460"	2784.588202	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+Cl"	34.969402
"1283957"	951.509002	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Cl"	34.969402
"24325"	1870.027806	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M-2H+K"	36.948606
"466071"	2786.567406	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M-2H+K"	36.948606
"841691"	953.488206	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-2H+K"	36.948606
"1564085"	953.488206	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+K-2H"	36.948606
"947594"	961.537794	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-H+HCOOH"	44.998194
"363622"	1878.077401	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+HCOOH-H"	44.998201
"351882"	1892.093051	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+Hac-H"	59.013851
"1494269"	975.553451	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Hac-H"	59.013851
"966069"	983.519751	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-H+NaCOOH"	66.980151
"121538"	951.509002	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+2Cl"	69.938804
"556724"	1409.778802	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+2Cl"	69.938804
"1028804"	493.239202	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2Cl"	69.938804
"1252757"	995.458485	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Br"	78.918885
"1317392"	997.514472	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Cl+HCOOH"	80.974872
"1334046"	1019.496429	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Cl+NaCOOH"	102.956829
"926197"	1029.525186	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M-H+CF3COOH"	112.985586
"1302667"	1065.501864	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Cl+CF3COOH"	148.962264
"1382585"	881.526924	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H-2H2O"	-35.012676
"1398399"	899.5369	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H-H2O"	-17.0027
"297889"	1834.086476	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+H"	1.007276
"687145"	2750.626076	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+H"	1.007276
"1366959"	917.546876	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H"	1.007276
"137477"	917.546876	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+2H"	2.014552
"580319"	1375.816676	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+2H"	2.014552
"1050585"	459.277076	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2H"	2.014552
"217028"	612.033676	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+3H"	3.021828
"657682"	917.546876	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+3H"	3.021828
"1177631"	306.520476	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+3H"	3.021828
"436523"	1851.113023	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+NH4"	18.033823
"792416"	2767.652623	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+NH4"	18.033823
"1689838"	934.573423	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+NH4"	18.033823
"339211"	926.0601495	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+H+NH4"	19.041099
"734924"	1384.3299495	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+H+NH4"	19.041099
"1485466"	467.7903495	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H+NH4"	19.041099
"399771"	1856.068418	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+Na"	22.989218
"765143"	2772.608018	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+Na"	22.989218
"1609960"	939.528818	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Na"	22.989218
"324374"	928.537847	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+H+Na"	23.996494
"717890"	1386.807647	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+H+Na"	23.996494
"1470614"	470.268047	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H+Na"	23.996494
"1061675"	313.84779	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2H+Na"	25.00377
"1267727"	949.573086	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+CH3OH+H"	33.033486
"387398"	1872.042358	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+K"	38.963158
"748392"	2788.581958	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+K"	38.963158
"1547167"	955.502758	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+K"	38.963158
"308714"	936.524817	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+H+K"	39.970434
"701501"	1394.794617	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+H+K"	39.970434
"1458964"	478.255017	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H+K"	39.970434
"245742"	1875.113026	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+ACN+H"	42.033826
"1216999"	958.573426	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+ACN+H"	42.033826
"1203434"	479.790351	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+ACN+2H"	43.041102
"194846"	1878.05036	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+2Na-H"	44.97116
"631856"	2794.58996	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+2Na-H"	44.97116
"1138277"	961.51076	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2Na-H"	44.97116
"173912"	939.528818	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+2Na"	45.978436
"615293"	1397.798618	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+2Na"	45.978436
"1118437"	481.259018	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2Na"	45.978436
"1403785"	321.175104	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H+2Na"	46.985712
"1433715"	963.552346	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H+HCOOH"	47.012746
"223407"	944.56184	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+3H2O+2H"	56.04448
"1513291"	977.60439	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+IsoProp+H"	61.06479
"411521"	947.515788	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+Na+K"	61.952376
"777618"	1405.785588	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+Na+K"	61.952376
"1671763"	489.245988	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Na+K"	61.952376
"259375"	1897.094968	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+ACN+Na"	64.015768
"1236458"	980.555368	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+ACN+Na"	64.015768
"1715504"	980.578893	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+NH4+HCOOH"	64.039293
"1185232"	328.502418	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+3Na"	68.967654
"1652207"	985.534288	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Na+HCOOH"	68.994688
"164544"	1909.99824	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+2K-H"	76.91904
"603736"	2826.53784	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+2K-H"	76.91904
"1089346"	993.45864	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2K-H"	76.91904
"149438"	955.502758	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"2M+2K"	77.926316
"589002"	1413.772558	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"3M+2K"	77.926316
"1071330"	497.232958	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2K"	77.926316
"1103451"	995.473192	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2K+H"	78.933592
"1336920"	995.560807	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+DMSO+H"	79.021207
"1005667"	999.599976	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2ACN+H"	83.060376
"1524659"	1000.593608	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+IsoProp+Na+H"	84.054008
"991846"	500.303626	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+2ACN+2H"	84.067652
"1587108"	1001.508228	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+K+HCOOH"	84.968628
"1417477"	1031.539738	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+H+CF3COOH"	115.000138
"1154327"	520.816901	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+3ACN+2H"	125.094202
"1706064"	1048.566285	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+NH4+CF3COOH"	132.026685
"1647182"	1053.52168	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+Na+CF3COOH"	136.98208
"1578459"	1069.49562	"C17539"	"Chikusetsusaponin III"	"C47H80O17"	"916.5396"	"M+K+CF3COOH"	152.95602
"805543"	926.4875	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M"	0
"976161"	907.46911	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-H2O-H"	-19.01839
"68411"	616.651057333333	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M-3H"	-3.021828
"509065"	925.480224	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M-3H"	-3.021828
"886865"	307.821890666667	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-3H"	-3.021828
"8726"	925.480224	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M-2H"	-2.014552
"449379"	1388.723974	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M-2H"	-2.014552
"824998"	462.236474	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-2H"	-2.014552
"81709"	1851.967724	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M-H"	-1.007276
"532938"	2778.455224	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M-H"	-1.007276
"908913"	925.480224	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-H"	-1.007276
"55633"	1868.994271	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M-2H+NH4"	16.019271
"497379"	2795.481771	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M-2H+NH4"	16.019271
"878464"	942.506771	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-2H+NH4"	16.019271
"41988"	1873.949666	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M-2H+Na"	20.974666
"485924"	2800.437166	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M-2H+Na"	20.974666
"863247"	947.462166	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-2H+Na"	20.974666
"1629981"	947.462166	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Na-2H"	20.974666
"108339"	943.468563	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M-H+Cl"	33.962126
"548263"	1406.712313	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M-H+Cl"	33.962126
"939226"	480.224813	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-H+Cl"	33.962126
"277056"	1887.944402	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+Cl"	34.969402
"669477"	2814.431902	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+Cl"	34.969402
"1282973"	961.456902	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Cl"	34.969402
"22247"	1889.923606	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M-2H+K"	36.948606
"467274"	2816.411106	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M-2H+K"	36.948606
"841801"	963.436106	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-2H+K"	36.948606
"1564196"	963.436106	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+K-2H"	36.948606
"946610"	971.485694	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-H+HCOOH"	44.998194
"365920"	1897.973201	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+HCOOH-H"	44.998201
"350899"	1911.988851	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+Hac-H"	59.013851
"1494260"	985.501351	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Hac-H"	59.013851
"966179"	993.467651	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-H+NaCOOH"	66.980151
"118367"	961.456902	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+2Cl"	69.938804
"553554"	1424.700652	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+2Cl"	69.938804
"1026727"	498.213152	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2Cl"	69.938804
"1250680"	1005.406385	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Br"	78.918885
"1310941"	1007.462372	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Cl+HCOOH"	80.974872
"1334885"	1029.444329	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Cl+NaCOOH"	102.956829
"925332"	1039.473086	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M-H+CF3COOH"	112.985586
"1303987"	1075.449764	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Cl+CF3COOH"	148.962264
"1382389"	891.474824	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H-2H2O"	-35.012676
"1397575"	909.4848	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H-H2O"	-17.0027
"297383"	1853.982276	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+H"	1.007276
"688349"	2780.469776	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+H"	1.007276
"1363603"	927.494776	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H"	1.007276
"139774"	927.494776	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+2H"	2.014552
"574962"	1390.738526	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+2H"	2.014552
"1051787"	464.251026	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2H"	2.014552
"219204"	618.665609333333	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+3H"	3.021828
"659008"	927.494776	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+3H"	3.021828
"1178437"	309.836442666667	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+3H"	3.021828
"435903"	1871.008823	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+NH4"	18.033823
"796900"	2797.496323	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+NH4"	18.033823
"1691042"	944.521323	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+NH4"	18.033823
"338229"	936.0080495	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+H+NH4"	19.041099
"735757"	1399.2517995	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+H+NH4"	19.041099
"1489945"	472.7642995	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H+NH4"	19.041099
"405352"	1875.964218	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+Na"	22.989218
"765255"	2802.451718	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+Na"	22.989218
"1614812"	949.476718	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Na"	22.989218
"326673"	938.485747	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+H+Na"	23.996494
"719457"	1401.729497	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+H+Na"	23.996494
"1469631"	475.241997	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H+Na"	23.996494
"1063604"	317.163756666667	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2H+Na"	25.00377
"1267832"	959.520986	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+CH3OH+H"	33.033486
"388601"	1891.938158	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+K"	38.963158
"751783"	2818.425658	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+K"	38.963158
"1552380"	965.450658	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+K"	38.963158
"311010"	946.472717	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+H+K"	39.970434
"704161"	1409.716467	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+H+K"	39.970434
"1460166"	483.228967	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H+K"	39.970434
"245853"	1895.008826	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+ACN+H"	42.033826
"1220756"	968.521326	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+ACN+H"	42.033826
"1205731"	484.764301	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+ACN+2H"	43.041102
"202610"	1897.94616	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+2Na-H"	44.97116
"635979"	2824.43366	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+2Na-H"	44.97116
"1142761"	971.45866	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2Na-H"	44.97116
"181677"	949.476718	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+2Na"	45.978436
"617957"	1412.720468	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+2Na"	45.978436
"1119639"	486.232968	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2Na"	45.978436
"1403896"	324.491070666667	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H+2Na"	46.985712
"1434916"	973.500246	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H+HCOOH"	47.012746
"224245"	954.50974	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+3H2O+2H"	56.04448
"1517047"	987.55229	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+IsoProp+H"	61.06479
"415641"	957.463688	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+Na+K"	61.952376
"776636"	1420.707438	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+Na+K"	61.952376
"1669684"	494.219938	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Na+K"	61.952376
"254017"	1916.990768	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+ACN+Na"	64.015768
"1231465"	990.503268	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+ACN+Na"	64.015768
"1717070"	990.526793	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+NH4+HCOOH"	64.039293
"1185342"	331.818384666667	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+3Na"	68.967654
"1652074"	995.482188	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Na+HCOOH"	68.994688
"166475"	1929.89404	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+2K-H"	76.91904
"601660"	2856.38154	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+2K-H"	76.91904
"1092735"	1003.40654	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2K-H"	76.91904
"149548"	965.450658	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"2M+2K"	77.926316
"589112"	1428.694408	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"3M+2K"	77.926316
"1073627"	502.206908	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2K"	77.926316
"1108664"	1005.421092	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2K+H"	78.933592
"1339949"	1005.508707	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+DMSO+H"	79.021207
"1009570"	1009.547876	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2ACN+H"	83.060376
"1526722"	1010.541508	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+IsoProp+Na+H"	84.054008
"992321"	505.277576	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+2ACN+2H"	84.067652
"1590105"	1011.456128	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+K+HCOOH"	84.968628
"1421961"	1041.487638	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+H+CF3COOH"	115.000138
"1156625"	525.790851	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+3ACN+2H"	125.094202
"1707269"	1058.514185	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+NH4+CF3COOH"	132.026685
"1648387"	1063.46958	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+Na+CF3COOH"	136.98208
"1578569"	1079.44352	"C17540"	"Chikusetsusaponin IV;Araloside A"	"C47H74O18"	"926.4875"	"M+K+CF3COOH"	152.95602
"805653"	1931.098	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M"	0
"979186"	1912.07961	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-H2O-H"	-19.01839
"67427"	1286.39139066667	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M-3H"	-3.021828
"505893"	1930.090724	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M-3H"	-3.021828
"880413"	642.692057333333	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-3H"	-3.021828
"5554"	1930.090724	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M-2H"	-2.014552
"447300"	2895.639724	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M-2H"	-2.014552
"827295"	964.541724	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-2H"	-2.014552
"82182"	3861.188724	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M-H"	-1.007276
"531221"	5792.286724	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M-H"	-1.007276
"909023"	1930.090724	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-H"	-1.007276
"56836"	3878.215271	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M-2H+NH4"	16.019271
"495301"	5809.313271	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M-2H+NH4"	16.019271
"875291"	1947.117271	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-2H+NH4"	16.019271
"44285"	3883.170666	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M-2H+Na"	20.974666
"482751"	5814.268666	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M-2H+Na"	20.974666
"860555"	1952.072666	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-2H+Na"	20.974666
"1627901"	1952.072666	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Na-2H"	20.974666
"106624"	1948.079063	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M-H+Cl"	33.962126
"547278"	2913.628063	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M-H+Cl"	33.962126
"938607"	982.530063	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-H+Cl"	33.962126
"277166"	3897.165402	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+Cl"	34.969402
"670681"	5828.263402	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+Cl"	34.969402
"1284177"	1966.067402	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Cl"	34.969402
"25639"	3899.144606	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M-2H+K"	36.948606
"468113"	5830.242606	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M-2H+K"	36.948606
"841911"	1968.046606	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-2H+K"	36.948606
"1568679"	1968.046606	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+K-2H"	36.948606
"950001"	1976.096194	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-H+HCOOH"	44.998194
"368217"	3907.194201	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+HCOOH-H"	44.998201
"351008"	3921.209851	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+Hac-H"	59.013851
"1494371"	1990.111851	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Hac-H"	59.013851
"966289"	1998.078151	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-H+NaCOOH"	66.980151
"117383"	1966.067402	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+2Cl"	69.938804
"554756"	2931.616402	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+2Cl"	69.938804
"1024650"	1000.518402	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2Cl"	69.938804
"1248603"	2010.016885	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Br"	78.918885
"1311051"	2012.072872	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Cl+HCOOH"	80.974872
"1334632"	2034.054829	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Cl+NaCOOH"	102.956829
"925444"	2044.083586	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M-H+CF3COOH"	112.985586
"1303608"	2080.060264	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Cl+CF3COOH"	148.962264
"1377757"	1896.085324	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H-2H2O"	-35.012676
"1397197"	1914.0953	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H-H2O"	-17.0027
"296761"	3863.203276	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+H"	1.007276
"688459"	5794.301276	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+H"	1.007276
"1363712"	1932.105276	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H"	1.007276
"138791"	1932.105276	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+2H"	2.014552
"575072"	2897.654276	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+2H"	2.014552
"1050804"	966.556276	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2H"	2.014552
"218343"	1288.40594266667	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+3H"	3.021828
"658268"	1932.105276	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+3H"	3.021828
"1177122"	644.706609333333	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+3H"	3.021828
"437106"	3880.229823	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+NH4"	18.033823
"795917"	5811.327823	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+NH4"	18.033823
"1692246"	1949.131823	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+NH4"	18.033823
"339433"	1940.6185495	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+H+NH4"	19.041099
"732945"	2906.1675495	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+H+NH4"	19.041099
"1484579"	975.0695495	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H+NH4"	19.041099
"406920"	3885.185218	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+Na"	22.989218
"765369"	5816.283218	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+Na"	22.989218
"1617110"	1954.087218	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Na"	22.989218
"328242"	1943.096247	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+H+Na"	23.996494
"720295"	2908.645247	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+H+Na"	23.996494
"1471928"	977.547247	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H+Na"	23.996494
"1064443"	652.033923333333	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2H+Na"	25.00377
"1266849"	1964.131486	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+CH3OH+H"	33.033486
"390897"	3901.159158	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+K"	38.963158
"753717"	5832.257158	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+K"	38.963158
"1551763"	1970.061158	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+K"	38.963158
"313959"	1951.083217	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+H+K"	39.970434
"706748"	2916.632217	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+H+K"	39.970434
"1461007"	985.534217	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H+K"	39.970434
"244869"	3904.229826	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+ACN+H"	42.033826
"1220868"	1973.131826	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+ACN+H"	42.033826
"1207665"	987.069551	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+ACN+2H"	43.041102
"203328"	3907.16716	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+2Na-H"	44.97116
"640097"	5838.26516	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+2Na-H"	44.97116
"1143963"	1976.06916	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2Na-H"	44.97116
"185797"	1954.087218	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+2Na"	45.978436
"622440"	2919.636218	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+2Na"	45.978436
"1120116"	988.538218	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2Na"	45.978436
"1408381"	659.361237333333	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H+2Na"	46.985712
"1437215"	1978.110746	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H+HCOOH"	47.012746
"228003"	1959.12024	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+3H2O+2H"	56.04448
"1520437"	1992.16279	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+IsoProp+H"	61.06479
"415752"	1962.074188	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+Na+K"	61.952376
"775652"	2927.623188	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+Na+K"	61.952376
"1670889"	996.525188	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Na+K"	61.952376
"254127"	3926.211768	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+ACN+Na"	64.015768
"1231939"	1995.113768	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+ACN+Na"	64.015768
"1714629"	1995.137293	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+NH4+HCOOH"	64.039293
"1180711"	666.688551333333	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+3Na"	68.967654
"1652063"	2000.092688	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Na+HCOOH"	68.994688
"164396"	3939.11504	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+2K-H"	76.91904
"602863"	5870.21304	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+2K-H"	76.91904
"1090659"	2008.01704	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2K-H"	76.91904
"146378"	1970.061158	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"2M+2K"	77.926316
"587036"	2935.610158	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"3M+2K"	77.926316
"1074831"	1004.512158	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2K"	77.926316
"1110962"	2010.031592	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2K+H"	78.933592
"1340057"	2010.119207	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+DMSO+H"	79.021207
"1011867"	2014.158376	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2ACN+H"	83.060376
"1533272"	2015.152008	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+IsoProp+Na+H"	84.054008
"995348"	1007.582826	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+2ACN+2H"	84.067652
"1595319"	2016.066628	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+K+HCOOH"	84.968628
"1426444"	2046.098138	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+H+CF3COOH"	115.000138
"1156734"	1028.096101	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+3ACN+2H"	125.094202
"1707379"	2063.124685	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+NH4+CF3COOH"	132.026685
"1648497"	2068.08008	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+Na+CF3COOH"	136.98208
"1578679"	2084.05402	"C17541"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala"	"C96H160N10O26P2"	"1931.098"	"M+K+CF3COOH"	152.95602
"805763"	2045.141	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M"	0
"976380"	2026.12261	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-H2O-H"	-19.01839
"65351"	1362.42005733333	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M-3H"	-3.021828
"506003"	2044.133724	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M-3H"	-3.021828
"880887"	680.706390666667	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-3H"	-3.021828
"396"	2044.133724	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M-2H"	-2.014552
"440847"	3066.704224	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M-2H"	-2.014552
"823030"	1021.563224	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-2H"	-2.014552
"83021"	4089.274724	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M-H"	-1.007276
"529874"	6134.415724	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M-H"	-1.007276
"906946"	2044.133724	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-H"	-1.007276
"54759"	4106.301271	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M-2H+NH4"	16.019271
"495411"	6151.442271	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M-2H+NH4"	16.019271
"867744"	2061.160271	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-2H+NH4"	16.019271
"32729"	4111.256666	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M-2H+Na"	20.974666
"471470"	6156.397666	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M-2H+Na"	20.974666
"860665"	2066.115666	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-2H+Na"	20.974666
"1631291"	2066.115666	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Na-2H"	20.974666
"101257"	2062.122063	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M-H+Cl"	33.962126
"545202"	3084.692563	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M-H+Cl"	33.962126
"935434"	1039.551563	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-H+Cl"	33.962126
"278370"	4125.251402	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+Cl"	34.969402
"670791"	6170.392402	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+Cl"	34.969402
"1281007"	2080.110402	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Cl"	34.969402
"29272"	4127.230606	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M-2H+K"	36.948606
"466402"	6172.371606	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M-2H+K"	36.948606
"838740"	2082.089606	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-2H+K"	36.948606
"1565507"	2082.089606	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+K-2H"	36.948606
"950108"	2090.139194	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-H+HCOOH"	44.998194
"367232"	4135.280201	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+HCOOH-H"	44.998201
"348932"	4149.295851	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+Hac-H"	59.013851
"1494481"	2104.154851	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Hac-H"	59.013851
"960930"	2112.121151	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-H+NaCOOH"	66.980151
"110437"	2080.110402	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+2Cl"	69.938804
"550109"	3102.680902	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+2Cl"	69.938804
"1022937"	1057.539902	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2Cl"	69.938804
"1243244"	2124.059885	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Br"	78.918885
"1308974"	2126.115872	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Cl+HCOOH"	80.974872
"1334739"	2148.097829	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Cl+NaCOOH"	102.956829
"925918"	2158.126586	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M-H+CF3COOH"	112.985586
"1301894"	2194.103264	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Cl+CF3COOH"	148.962264
"1375680"	2010.128324	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H-2H2O"	-35.012676
"1394269"	2028.1383	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H-H2O"	-17.0027
"295049"	4091.289276	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+H"	1.007276
"688568"	6136.430276	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+H"	1.007276
"1362730"	2046.148276	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H"	1.007276
"138901"	2046.148276	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+2H"	2.014552
"576276"	3068.718776	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+2H"	2.014552
"1051773"	1023.577776	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2H"	2.014552
"218821"	1364.43460933333	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+3H"	3.021828
"659353"	2046.148276	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+3H"	3.021828
"1176868"	682.720942666667	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+3H"	3.021828
"437704"	4108.315823	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+NH4"	18.033823
"798213"	6153.456823	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+NH4"	18.033823
"1692355"	2063.174823	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+NH4"	18.033823
"339543"	2054.6615495	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+H+NH4"	19.041099
"730869"	3077.2320495	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+H+NH4"	19.041099
"1484689"	1032.0910495	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H+NH4"	19.041099
"405572"	4113.271218	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+Na"	22.989218
"768395"	6158.412218	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+Na"	22.989218
"1616490"	2068.130218	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Na"	22.989218
"328475"	2057.139247	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+H+Na"	23.996494
"721261"	3079.709747	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+H+Na"	23.996494
"1475320"	1034.568747	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H+Na"	23.996494
"1060911"	690.048256666667	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2H+Na"	25.00377
"1266962"	2078.174486	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+CH3OH+H"	33.033486
"392100"	4129.245158	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+K"	38.963158
"753829"	6174.386158	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+K"	38.963158
"1552238"	2084.104158	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+K"	38.963158
"313054"	2065.126217	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+H+K"	39.970434
"705477"	3087.696717	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+H+K"	39.970434
"1458202"	1042.555717	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H+K"	39.970434
"243886"	4132.315826	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+ACN+H"	42.033826
"1223164"	2087.174826	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+ACN+H"	42.033826
"1207046"	1044.091051	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+ACN+2H"	43.041102
"203438"	4135.25316	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+2Na-H"	44.97116
"640207"	6180.39416	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+2Na-H"	44.97116
"1142980"	2090.11216	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2Na-H"	44.97116
"185544"	2068.130218	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+2Na"	45.978436
"621457"	3090.700718	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+2Na"	45.978436
"1122778"	1045.559718	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2Na"	45.978436
"1407035"	697.375570666667	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H+2Na"	46.985712
"1438418"	2092.153746	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H+HCOOH"	47.012746
"228113"	2073.16324	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+3H2O+2H"	56.04448
"1517267"	2106.20579	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+IsoProp+H"	61.06479
"418048"	2076.117188	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+Na+K"	61.952376
"775761"	3098.687688	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+Na+K"	61.952376
"1670998"	1053.546688	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Na+K"	61.952376
"254237"	4154.297768	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+ACN+Na"	64.015768
"1232413"	2109.156768	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+ACN+Na"	64.015768
"1714010"	2109.180293	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+NH4+HCOOH"	64.039293
"1179362"	704.702884666667	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+3Na"	68.967654
"1652173"	2114.135688	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Na+HCOOH"	68.994688
"163413"	4167.20104	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+2K-H"	76.91904
"600787"	6212.34204	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+2K-H"	76.91904
"1090769"	2122.06004	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2K-H"	76.91904
"144302"	2084.104158	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"2M+2K"	77.926316
"588239"	3106.674658	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"3M+2K"	77.926316
"1073847"	1061.533658	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2K"	77.926316
"1109243"	2124.074592	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2K+H"	78.933592
"1341263"	2124.162207	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+DMSO+H"	79.021207
"1015257"	2128.201376	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2ACN+H"	83.060376
"1530102"	2129.195008	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+IsoProp+Na+H"	84.054008
"995458"	1064.604326	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+2ACN+2H"	84.067652
"1594335"	2130.109628	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+K+HCOOH"	84.968628
"1424367"	2160.141138	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+H+CF3COOH"	115.000138
"1155751"	1085.117601	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+3ACN+2H"	125.094202
"1707489"	2177.167685	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+NH4+CF3COOH"	132.026685
"1648244"	2182.12308	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+Na+CF3COOH"	136.98208
"1576602"	2198.09702	"C17542"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala"	"C100H166N12O28P2"	"2045.141"	"M+K+CF3COOH"	152.95602
"805873"	956.4981	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M"	0
"978312"	937.47971	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-H2O-H"	-19.01839
"67646"	636.658124	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M-3H"	-3.021828
"506112"	955.490824	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M-3H"	-3.021828
"881726"	317.825424	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-3H"	-3.021828
"3585"	955.490824	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M-2H"	-2.014552
"440957"	1433.739874	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M-2H"	-2.014552
"824233"	477.241774	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-2H"	-2.014552
"85317"	1911.988924	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M-H"	-1.007276
"530348"	2868.487024	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M-H"	-1.007276
"904869"	955.490824	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-H"	-1.007276
"51588"	1929.015471	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M-2H+NH4"	16.019271
"491147"	2885.513571	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M-2H+NH4"	16.019271
"867854"	972.517371	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-2H+NH4"	16.019271
"32590"	1933.970866	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M-2H+Na"	20.974666
"473247"	2890.468966	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M-2H+Na"	20.974666
"859682"	977.472766	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-2H+Na"	20.974666
"1623747"	977.472766	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Na-2H"	20.974666
"95171"	973.479163	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M-H+Cl"	33.962126
"548835"	1451.728213	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M-H+Cl"	33.962126
"942109"	495.230113	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-H+Cl"	33.962126
"281154"	1947.965602	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+Cl"	34.969402
"670900"	2904.463702	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+Cl"	34.969402
"1286462"	991.467502	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Cl"	34.969402
"30840"	1949.944806	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M-2H+K"	36.948606
"470766"	2906.442906	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M-2H+K"	36.948606
"844316"	993.446706	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-2H+K"	36.948606
"1566711"	993.446706	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+K-2H"	36.948606
"953499"	1001.496294	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-H+HCOOH"	44.998194
"362359"	1957.994401	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+HCOOH-H"	44.998201
"350135"	1972.010051	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+Hac-H"	59.013851
"1493250"	1015.511951	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Hac-H"	59.013851
"962133"	1023.478251	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-H+NaCOOH"	66.980151
"110667"	991.467502	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+2Cl"	69.938804
"550021"	1469.716552	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+2Cl"	69.938804
"1025962"	513.218452	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2Cl"	69.938804
"1243718"	1035.416985	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Br"	78.918885
"1311270"	1037.472972	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Cl+HCOOH"	80.974872
"1334363"	1059.454929	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Cl+NaCOOH"	102.956829
"925664"	1069.483686	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M-H+CF3COOH"	112.985586
"1303098"	1105.460364	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Cl+CF3COOH"	148.962264
"1380164"	921.485424	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H-2H2O"	-35.012676
"1393285"	939.4954	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H-H2O"	-17.0027
"296252"	1914.003476	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+H"	1.007276
"683210"	2870.501576	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+H"	1.007276
"1365026"	957.505376	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H"	1.007276
"135729"	957.505376	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+2H"	2.014552
"580641"	1435.754426	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+2H"	2.014552
"1051025"	479.256326	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2H"	2.014552
"218931"	638.672676	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+3H"	3.021828
"658003"	957.505376	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+3H"	3.021828
"1177223"	319.839976	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+3H"	3.021828
"437326"	1931.030023	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+NH4"	18.033823
"797230"	2887.528123	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+NH4"	18.033823
"1689184"	974.531923	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+NH4"	18.033823
"337463"	966.0186495	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+H+NH4"	19.041099
"730978"	1444.2676995	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+H+NH4"	19.041099
"1485890"	487.7695995	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H+NH4"	19.041099
"406778"	1935.985418	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+Na"	22.989218
"767048"	2892.483518	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+Na"	22.989218
"1615872"	979.487318	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Na"	22.989218
"328100"	968.496347	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+H+Na"	23.996494
"719791"	1446.745397	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+H+Na"	23.996494
"1472151"	490.247297	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H+Na"	23.996494
"1063205"	327.16729	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2H+Na"	25.00377
"1265976"	989.531586	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+CH3OH+H"	33.033486
"391117"	1951.959358	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+K"	38.963158
"749930"	2908.457458	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+K"	38.963158
"1551617"	995.461258	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+K"	38.963158
"310250"	976.483317	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+H+K"	39.970434
"700121"	1454.732367	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+H+K"	39.970434
"1458313"	498.234267	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H+K"	39.970434
"246183"	1955.030026	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+ACN+H"	42.033826
"1221088"	998.531926	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+ACN+H"	42.033826
"1206062"	499.769601	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+ACN+2H"	43.041102
"200753"	1957.96736	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+2Na-H"	44.97116
"637400"	2914.46546	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+2Na-H"	44.97116
"1141997"	1001.46926	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2Na-H"	44.97116
"183103"	979.487318	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+2Na"	45.978436
"623754"	1457.736368	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+2Na"	45.978436
"1117418"	501.238268	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2Na"	45.978436
"1406414"	334.494604	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H+2Na"	46.985712
"1433425"	1003.510846	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H+HCOOH"	47.012746
"223482"	984.52034	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+3H2O+2H"	56.04448
"1514096"	1017.56289	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+IsoProp+H"	61.06479
"415971"	987.474288	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+Na+K"	61.952376
"774413"	1465.723338	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+Na+K"	61.952376
"1672201"	509.225238	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Na+K"	61.952376
"253982"	1977.011968	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+ACN+Na"	64.015768
"1230336"	1020.513868	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+ACN+Na"	64.015768
"1717036"	1020.537393	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+NH4+HCOOH"	64.039293
"1178510"	341.821918	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+3Na"	68.967654
"1650012"	1025.492788	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Na+HCOOH"	68.994688
"163522"	1989.91524	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+2K-H"	76.91904
"600167"	2946.41334	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+2K-H"	76.91904
"1093065"	1033.41714	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2K-H"	76.91904
"145504"	995.461258	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"2M+2K"	77.926316
"588349"	1473.710308	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"3M+2K"	77.926316
"1079425"	517.212208	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2K"	77.926316
"1110447"	1035.431692	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2K+H"	78.933592
"1342466"	1035.519307	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+DMSO+H"	79.021207
"1013181"	1039.558476	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2ACN+H"	83.060376
"1530212"	1040.552108	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+IsoProp+Na+H"	84.054008
"995569"	520.282876	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+2ACN+2H"	84.067652
"1594445"	1041.466728	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+K+HCOOH"	84.968628
"1425570"	1071.498238	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+H+CF3COOH"	115.000138
"1155861"	540.796151	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+3ACN+2H"	125.094202
"1703226"	1088.524785	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+NH4+CF3COOH"	132.026685
"1647624"	1093.48018	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+Na+CF3COOH"	136.98208
"1575619"	1109.45412	"C17543"	"Chikusetsusaponin V;Ginsenoside Ro"	"C48H76O19"	"956.4981"	"M+K+CF3COOH"	152.95602
"805983"	754.4867	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M"	0
"976235"	735.46831	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-H2O-H"	-19.01839
"64475"	501.983857333333	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M-3H"	-3.021828
"504035"	753.479424	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M-3H"	-3.021828
"881108"	250.488290666667	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-3H"	-3.021828
"170"	753.479424	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M-2H"	-2.014552
"440574"	1130.722774	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M-2H"	-2.014552
"822156"	376.236074	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-2H"	-2.014552
"82146"	1507.966124	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M-H"	-1.007276
"530458"	2262.452824	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M-H"	-1.007276
"902791"	753.479424	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-H"	-1.007276
"49875"	1524.992671	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M-2H+NH4"	16.019271
"488219"	2279.479371	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M-2H+NH4"	16.019271
"864795"	770.505971	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-2H+NH4"	16.019271
"32085"	1529.948066	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M-2H+Na"	20.974666
"472013"	2284.434766	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M-2H+Na"	20.974666
"856512"	775.461366	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-2H+Na"	20.974666
"1620577"	775.461366	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Na-2H"	20.974666
"95766"	771.467763	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M-H+Cl"	33.962126
"549799"	1148.711113	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M-H+Cl"	33.962126
"942215"	394.224413	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-H+Cl"	33.962126
"280777"	1543.942802	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+Cl"	34.969402
"669917"	2298.429502	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+Cl"	34.969402
"1284507"	789.456102	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Cl"	34.969402
"31184"	1545.922006	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M-2H+K"	36.948606
"470633"	2300.408706	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M-2H+K"	36.948606
"842240"	791.435306	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-2H+K"	36.948606
"1566821"	791.435306	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+K-2H"	36.948606
"954703"	799.484894	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-H+HCOOH"	44.998194
"364172"	1553.971601	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+HCOOH-H"	44.998201
"351337"	1567.987251	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+Hac-H"	59.013851
"1494700"	813.500551	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Hac-H"	59.013851
"961149"	821.466851	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-H+NaCOOH"	66.980151
"110532"	789.456102	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+2Cl"	69.938804
"550579"	1166.699452	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+2Cl"	69.938804
"1022061"	412.212752	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2Cl"	69.938804
"1243464"	833.405585	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Br"	78.918885
"1310286"	835.461572	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Cl+HCOOH"	80.974872
"1332892"	857.443529	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Cl+NaCOOH"	102.956829
"923220"	867.472286	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M-H+CF3COOH"	112.985586
"1296646"	903.448964	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Cl+CF3COOH"	148.962264
"1376993"	719.474024	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H-2H2O"	-35.012676
"1390115"	737.484	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H-H2O"	-17.0027
"294174"	1509.980676	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+H"	1.007276
"683320"	2264.467376	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+H"	1.007276
"1360762"	755.493976	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H"	1.007276
"136932"	755.493976	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+2H"	2.014552
"576495"	1132.737326	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+2H"	2.014552
"1051738"	378.250626	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2H"	2.014552
"218677"	503.998409333333	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+3H"	3.021828
"658234"	755.493976	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+3H"	3.021828
"1178060"	252.502842666667	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+3H"	3.021828
"438166"	1527.007223	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+NH4"	18.033823
"796246"	2281.493923	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+NH4"	18.033823
"1691481"	772.520523	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+NH4"	18.033823
"336480"	764.0072495	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+H+NH4"	19.041099
"734368"	1141.2505995	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+H+NH4"	19.041099
"1486001"	386.7638995	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H+NH4"	19.041099
"406522"	1531.962618	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+Na"	22.989218
"767767"	2286.449318	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+Na"	22.989218
"1616711"	777.475918	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Na"	22.989218
"327475"	766.484947	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+H+Na"	23.996494
"719901"	1143.728297	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+H+Na"	23.996494
"1473354"	389.241597	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H+Na"	23.996494
"1063314"	259.830156666667	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2H+Na"	25.00377
"1263898"	787.520186	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+CH3OH+H"	33.033486
"390497"	1547.936558	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+K"	38.963158
"750406"	2302.423258	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+K"	38.963158
"1551000"	793.449858	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+K"	38.963158
"311818"	774.471917	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+H+K"	39.970434
"702782"	1151.715267	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+H+K"	39.970434
"1457694"	397.228567	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H+K"	39.970434
"245200"	1551.007226	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+ACN+H"	42.033826
"1222292"	796.520526	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+ACN+H"	42.033826
"1206170"	398.763901	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+ACN+2H"	43.041102
"201470"	1553.94456	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+2Na-H"	44.97116
"639696"	2308.43126	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+2Na-H"	44.97116
"1142836"	799.45786	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2Na-H"	44.97116
"182848"	777.475918	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+2Na"	45.978436
"622406"	1154.719268	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+2Na"	45.978436
"1117892"	400.232568	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2Na"	45.978436
"1403244"	267.157470666667	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H+2Na"	46.985712
"1433535"	801.499446	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H+HCOOH"	47.012746
"222499"	782.50894	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+3H2O+2H"	56.04448
"1513477"	815.55149	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+IsoProp+H"	61.06479
"411705"	785.462888	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+Na+K"	61.952376
"774887"	1162.706238	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+Na+K"	61.952376
"1670489"	408.219538	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Na+K"	61.952376
"253364"	1572.989168	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+ACN+Na"	64.015768
"1228259"	818.502468	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+ACN+Na"	64.015768
"1717510"	818.525993	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+NH4+HCOOH"	64.039293
"1179219"	274.484784666667	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+3Na"	68.967654
"1650570"	823.481388	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Na+HCOOH"	68.994688
"162539"	1585.89244	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+2K-H"	76.91904
"599548"	2340.37914	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+2K-H"	76.91904
"1093175"	831.40574	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2K-H"	76.91904
"143062"	793.449858	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"2M+2K"	77.926316
"588459"	1170.693208	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"3M+2K"	77.926316
"1079533"	416.206508	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2K"	77.926316
"1109461"	833.420292	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2K+H"	78.933592
"1348766"	833.507907	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+DMSO+H"	79.021207
"1015477"	837.547076	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2ACN+H"	83.060376
"1530322"	838.540708	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+IsoProp+Na+H"	84.054008
"997865"	419.277176	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+2ACN+2H"	84.067652
"1594555"	839.455328	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+K+HCOOH"	84.968628
"1425680"	869.486838	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+H+CF3COOH"	115.000138
"1153784"	439.790451	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+3ACN+2H"	125.094202
"1703336"	886.513385	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+NH4+CF3COOH"	132.026685
"1647734"	891.46878	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+Na+CF3COOH"	136.98208
"1575729"	907.44272	"C17544"	"Chikusetsusaponin Ia"	"C41H70O12"	"754.4867"	"M+K+CF3COOH"	152.95602
"806093"	926.4875	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M"	0
"977438"	907.46911	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-H2O-H"	-19.01839
"65679"	616.651057333333	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M-3H"	-3.021828
"504146"	925.480224	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M-3H"	-3.021828
"880854"	307.821890666667	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-3H"	-3.021828
"885"	925.480224	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M-2H"	-2.014552
"441171"	1388.723974	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M-2H"	-2.014552
"825546"	462.236474	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-2H"	-2.014552
"80798"	1851.967724	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M-H"	-1.007276
"529474"	2778.455224	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M-H"	-1.007276
"899621"	925.480224	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-H"	-1.007276
"49256"	1868.994271	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M-2H+NH4"	16.019271
"488082"	2795.481771	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M-2H+NH4"	16.019271
"864667"	942.506771	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-2H+NH4"	16.019271
"31875"	1873.949666	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M-2H+Na"	20.974666
"472126"	2800.437166	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M-2H+Na"	20.974666
"849078"	947.462166	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-2H+Na"	20.974666
"1621778"	947.462166	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Na-2H"	20.974666
"94779"	943.468563	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M-H+Cl"	33.962126
"549946"	1406.712313	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M-H+Cl"	33.962126
"941960"	480.224813	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-H+Cl"	33.962126
"281980"	1887.944402	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+Cl"	34.969402
"671121"	2814.431902	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+Cl"	34.969402
"1288387"	961.456902	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Cl"	34.969402
"31280"	1889.923606	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M-2H+K"	36.948606
"470012"	2816.411106	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M-2H+K"	36.948606
"841256"	963.436106	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-2H+K"	36.948606
"1566931"	963.436106	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+K-2H"	36.948606
"952627"	971.485694	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-H+HCOOH"	44.998194
"367562"	1897.973201	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+HCOOH-H"	44.998201
"351447"	1911.988851	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+Hac-H"	59.013851
"1494811"	985.501351	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Hac-H"	59.013851
"960287"	993.467651	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-H+NaCOOH"	66.980151
"111493"	961.456902	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+2Cl"	69.938804
"550932"	1424.700652	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+2Cl"	69.938804
"1022413"	498.213152	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2Cl"	69.938804
"1242722"	1005.406385	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Br"	78.918885
"1310396"	1007.462372	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Cl+HCOOH"	80.974872
"1332271"	1029.444329	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Cl+NaCOOH"	102.956829
"925152"	1039.473086	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M-H+CF3COOH"	112.985586
"1297849"	1075.449764	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Cl+CF3COOH"	148.962264
"1376009"	891.474824	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H-2H2O"	-35.012676
"1393505"	909.4848	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H-H2O"	-17.0027
"294284"	1853.982276	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+H"	1.007276
"683430"	2780.469776	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+H"	1.007276
"1360871"	927.494776	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H"	1.007276
"137042"	927.494776	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+2H"	2.014552
"579522"	1390.738526	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+2H"	2.014552
"1051608"	464.251026	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2H"	2.014552
"219639"	618.665609333333	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+3H"	3.021828
"659401"	927.494776	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+3H"	3.021828
"1178051"	309.836442666667	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+3H"	3.021828
"436818"	1871.008823	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+NH4"	18.033823
"799637"	2797.496323	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+NH4"	18.033823
"1692685"	944.521323	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+NH4"	18.033823
"338776"	936.0080495	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+H+NH4"	19.041099
"731198"	1399.2517995	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+H+NH4"	19.041099
"1487205"	472.7642995	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H+NH4"	19.041099
"406997"	1875.964218	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+Na"	22.989218
"768724"	2802.451718	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+Na"	22.989218
"1615726"	949.476718	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Na"	22.989218
"326125"	938.485747	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+H+Na"	23.996494
"721592"	1401.729497	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+H+Na"	23.996494
"1474192"	475.241997	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H+Na"	23.996494
"1063424"	317.163756666667	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2H+Na"	25.00377
"1264008"	959.520986	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+CH3OH+H"	33.033486
"389878"	1891.938158	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+K"	38.963158
"752332"	2818.425658	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+K"	38.963158
"1554022"	965.450658	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+K"	38.963158
"313018"	946.472717	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+H+K"	39.970434
"705074"	1409.716467	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+H+K"	39.970434
"1458896"	483.228967	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H+K"	39.970434
"243122"	1895.008826	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+ACN+H"	42.033826
"1223492"	968.521326	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+ACN+H"	42.033826
"1208954"	484.764301	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+ACN+2H"	43.041102
"202428"	1897.94616	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+2Na-H"	44.97116
"642722"	2824.43366	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+2Na-H"	44.97116
"1144403"	971.45866	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2Na-H"	44.97116
"184413"	949.476718	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+2Na"	45.978436
"622879"	1412.720468	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+2Na"	45.978436
"1126388"	486.232968	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2Na"	45.978436
"1406634"	324.491070666667	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H+2Na"	46.985712
"1435468"	973.500246	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H+HCOOH"	47.012746
"224069"	954.50974	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+3H2O+2H"	56.04448
"1517597"	987.55229	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+IsoProp+H"	61.06479
"412911"	957.463688	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+Na+K"	61.952376
"774633"	1420.707438	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+Na+K"	61.952376
"1670234"	494.219938	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Na+K"	61.952376
"256025"	1916.990768	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+ACN+Na"	64.015768
"1226910"	990.503268	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+ACN+Na"	64.015768
"1716527"	990.526793	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+NH4+HCOOH"	64.039293
"1178960"	331.818384666667	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+3Na"	68.967654
"1650801"	995.482188	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Na+HCOOH"	68.994688
"163742"	1929.89404	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+2K-H"	76.91904
"602210"	2856.38154	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+2K-H"	76.91904
"1094378"	1003.40654	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2K-H"	76.91904
"145724"	965.450658	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"2M+2K"	77.926316
"588569"	1428.694408	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"3M+2K"	77.926316
"1079643"	502.206908	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2K"	77.926316
"1106291"	1005.421092	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2K+H"	78.933592
"1347053"	1005.508707	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+DMSO+H"	79.021207
"1013401"	1009.547876	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2ACN+H"	83.060376
"1533713"	1010.541508	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+IsoProp+Na+H"	84.054008
"996882"	505.277576	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+2ACN+2H"	84.067652
"1596852"	1011.456128	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+K+HCOOH"	84.968628
"1422510"	1041.487638	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+H+CF3COOH"	115.000138
"1153894"	525.790851	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+3ACN+2H"	125.094202
"1706726"	1058.514185	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+NH4+CF3COOH"	132.026685
"1647844"	1063.46958	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+Na+CF3COOH"	136.98208
"1575839"	1079.44352	"C17545"	"Chikusetsusaponin Ib"	"C47H74O18"	"926.4875"	"M+K+CF3COOH"	152.95602
"806203"	912.5083	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M"	0
"976090"	893.48991	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-H2O-H"	-19.01839
"63965"	607.331590666667	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M-3H"	-3.021828
"503563"	911.501024	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M-3H"	-3.021828
"882416"	303.162157333333	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-3H"	-3.021828
"346"	911.501024	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M-2H"	-2.014552
"440674"	1367.755174	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M-2H"	-2.014552
"823469"	455.246874	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-2H"	-2.014552
"82365"	1824.009324	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M-H"	-1.007276
"529584"	2736.517624	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M-H"	-1.007276
"899730"	911.501024	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-H"	-1.007276
"49366"	1841.035871	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M-2H+NH4"	16.019271
"488925"	2753.544171	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M-2H+NH4"	16.019271
"864234"	928.527571	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-2H+NH4"	16.019271
"31697"	1845.991266	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M-2H+Na"	20.974666
"471479"	2758.499566	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M-2H+Na"	20.974666
"848991"	933.482966	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-2H+Na"	20.974666
"1619578"	933.482966	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Na-2H"	20.974666
"98418"	929.489363	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M-H+Cl"	33.962126
"549406"	1385.743513	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M-H+Cl"	33.962126
"941339"	473.235213	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-H+Cl"	33.962126
"276620"	1859.986002	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+Cl"	34.969402
"672324"	2772.494302	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+Cl"	34.969402
"1285819"	947.477702	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Cl"	34.969402
"29469"	1861.965206	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M-2H+K"	36.948606
"470729"	2774.473506	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M-2H+K"	36.948606
"846834"	949.456906	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-2H+K"	36.948606
"1567041"	949.456906	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+K-2H"	36.948606
"956018"	957.506494	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-H+HCOOH"	44.998194
"366579"	1870.014801	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+HCOOH-H"	44.998201
"354838"	1884.030451	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+Hac-H"	59.013851
"1494922"	971.522151	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Hac-H"	59.013851
"962463"	979.488451	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-H+NaCOOH"	66.980151
"111613"	947.477702	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+2Cl"	69.938804
"553118"	1403.731852	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+2Cl"	69.938804
"1029573"	491.223552	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2Cl"	69.938804
"1250245"	991.427185	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Br"	78.918885
"1315974"	993.483172	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Cl+HCOOH"	80.974872
"1331286"	1015.465129	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Cl+NaCOOH"	102.956829
"922345"	1025.493886	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M-H+CF3COOH"	112.985586
"1294678"	1061.470564	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Cl+CF3COOH"	148.962264
"1373932"	877.495624	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H-2H2O"	-35.012676
"1393616"	895.5056	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H-H2O"	-17.0027
"291114"	1826.023876	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+H"	1.007276
"689007"	2738.532176	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+H"	1.007276
"1363168"	913.515576	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H"	1.007276
"137152"	913.515576	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+2H"	2.014552
"580848"	1369.769726	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+2H"	2.014552
"1046611"	457.261426	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2H"	2.014552
"219859"	609.346142666667	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+3H"	3.021828
"655166"	913.515576	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+3H"	3.021828
"1176570"	305.176709333333	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+3H"	3.021828
"435467"	1843.050423	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+NH4"	18.033823
"797557"	2755.558723	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+NH4"	18.033823
"1689515"	930.542123	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+NH4"	18.033823
"334512"	922.0288495	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+H+NH4"	19.041099
"729121"	1378.2829995	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+H+NH4"	19.041099
"1482941"	465.7746995	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H+NH4"	19.041099
"407106"	1848.005818	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+Na"	22.989218
"765914"	2760.514118	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+Na"	22.989218
"1614012"	935.497518	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Na"	22.989218
"326233"	924.506547	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+H+Na"	23.996494
"717565"	1380.760697	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+H+Na"	23.996494
"1472477"	468.252397	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H+Na"	23.996494
"1061348"	312.504023333333	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2H+Na"	25.00377
"1260839"	945.541786	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+CH3OH+H"	33.033486
"387069"	1863.979758	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+K"	38.963158
"752077"	2776.488058	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+K"	38.963158
"1552310"	951.471458	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+K"	38.963158
"311668"	932.493517	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+H+K"	39.970434
"705183"	1388.747667	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+H+K"	39.970434
"1458638"	476.239367	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H+K"	39.970434
"243232"	1867.050426	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+ACN+H"	42.033826
"1225567"	954.542126	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+ACN+H"	42.033826
"1209306"	477.774701	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+ACN+2H"	43.041102
"202538"	1869.98776	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+2Na-H"	44.97116
"643074"	2782.49606	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+2Na-H"	44.97116
"1143420"	957.47946	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2Na-H"	44.97116
"184523"	935.497518	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+2Na"	45.978436
"620803"	1391.751668	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+2Na"	45.978436
"1128685"	479.243368	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2Na"	45.978436
"1408931"	319.831337333333	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H+2Na"	46.985712
"1433026"	959.521046	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H+HCOOH"	47.012746
"223813"	940.53054	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+3H2O+2H"	56.04448
"1517707"	973.57309	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+IsoProp+H"	61.06479
"415208"	943.484488	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+Na+K"	61.952376
"774744"	1399.738638	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+Na+K"	61.952376
"1671074"	487.230338	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Na+K"	61.952376
"257959"	1889.032368	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+ACN+Na"	64.015768
"1228843"	976.524068	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+ACN+Na"	64.015768
"1716637"	976.547593	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+NH4+HCOOH"	64.039293
"1179393"	327.158651333333	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+3Na"	68.967654
"1654436"	981.502988	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Na+HCOOH"	68.994688
"166039"	1901.93564	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+2K-H"	76.91904
"601227"	2814.44394	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+2K-H"	76.91904
"1094488"	989.42734	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2K-H"	76.91904
"145834"	951.471458	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"2M+2K"	77.926316
"585396"	1407.725608	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"3M+2K"	77.926316
"1078660"	495.217308	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2K"	77.926316
"1106401"	991.441892	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2K+H"	78.933592
"1349716"	991.529507	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+DMSO+H"	79.021207
"1016792"	995.568676	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2ACN+H"	83.060376
"1538075"	996.562308	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+IsoProp+Na+H"	84.054008
"1003432"	498.287976	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+2ACN+2H"	84.067652
"1601336"	997.476928	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+K+HCOOH"	84.968628
"1425900"	1027.508438	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+H+CF3COOH"	115.000138
"1154004"	518.801251	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+3ACN+2H"	125.094202
"1706836"	1044.534985	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+NH4+CF3COOH"	132.026685
"1647954"	1049.49038	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+Na+CF3COOH"	136.98208
"1575949"	1065.46432	"C17546"	"Akeboside Stf"	"C47H76O17"	"912.5083"	"M+K+CF3COOH"	152.95602
"806313"	766.4503	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M"	0
"975836"	747.43191	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-H2O-H"	-19.01839
"63035"	509.959590666667	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M-3H"	-3.021828
"503143"	765.443024	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M-3H"	-3.021828
"881067"	254.476157333333	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-3H"	-3.021828
"15"	765.443024	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M-2H"	-2.014552
"440035"	1148.668174	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M-2H"	-2.014552
"821393"	382.217874	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-2H"	-2.014552
"81383"	1531.893324	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M-H"	-1.007276
"528601"	2298.343624	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M-H"	-1.007276
"898747"	765.443024	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-H"	-1.007276
"49476"	1548.919871	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M-2H+NH4"	16.019271
"487819"	2315.370171	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M-2H+NH4"	16.019271
"864317"	782.469571	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-2H+NH4"	16.019271
"31487"	1553.875266	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M-2H+Na"	20.974666
"471617"	2320.325566	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M-2H+Na"	20.974666
"849184"	787.424966	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-2H+Na"	20.974666
"1618502"	787.424966	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Na-2H"	20.974666
"97435"	783.431363	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M-H+Cl"	33.962126
"546481"	1166.656513	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M-H+Cl"	33.962126
"939263"	400.206213	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-H+Cl"	33.962126
"276730"	1567.870002	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+Cl"	34.969402
"670247"	2334.320302	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+Cl"	34.969402
"1286658"	801.419702	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Cl"	34.969402
"28486"	1569.849206	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M-2H+K"	36.948606
"469867"	2336.299506	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M-2H+K"	36.948606
"838196"	803.398906	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-2H+K"	36.948606
"1567151"	803.398906	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+K-2H"	36.948606
"956128"	811.448494	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-H+HCOOH"	44.998194
"367783"	1577.898801	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+HCOOH-H"	44.998201
"354948"	1591.914451	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+Hac-H"	59.013851
"1495032"	825.464151	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Hac-H"	59.013851
"965854"	833.430451	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-H+NaCOOH"	66.980151
"118042"	801.419702	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+2Cl"	69.938804
"552135"	1184.644852	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+2Cl"	69.938804
"1029683"	418.194552	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2Cl"	69.938804
"1250355"	845.369185	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Br"	78.918885
"1312804"	847.425172	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Cl+HCOOH"	80.974872
"1330304"	869.407129	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Cl+NaCOOH"	102.956829
"918082"	879.435886	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M-H+CF3COOH"	112.985586
"1296975"	915.412564	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Cl+CF3COOH"	148.962264
"1368330"	731.437624	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H-2H2O"	-35.012676
"1393726"	749.4476	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H-H2O"	-17.0027
"293412"	1533.907876	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+H"	1.007276
"683650"	2300.358176	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+H"	1.007276
"1358904"	767.457576	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H"	1.007276
"133982"	767.457576	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+2H"	2.014552
"579013"	1150.682726	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+2H"	2.014552
"1048908"	384.232426	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2H"	2.014552
"218998"	511.974142666667	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+3H"	3.021828
"655276"	767.457576	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+3H"	3.021828
"1172307"	256.490709333333	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+3H"	3.021828
"430110"	1550.934423	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+NH4"	18.033823
"796572"	2317.384723	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+NH4"	18.033823
"1688532"	784.484123	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+NH4"	18.033823
"334622"	775.9708495	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+H+NH4"	19.041099
"729232"	1159.1959995	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+H+NH4"	19.041099
"1483051"	392.7456995	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H+NH4"	19.041099
"398450"	1555.889818	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+Na"	22.989218
"768211"	2322.340118	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+Na"	22.989218
"1613029"	789.439518	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Na"	22.989218
"325979"	778.448547	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+H+Na"	23.996494
"718768"	1161.673697	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+H+Na"	23.996494
"1471494"	395.223397	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H+Na"	23.996494
"1061458"	263.818023333333	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2H+Na"	25.00377
"1262042"	799.483786	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+CH3OH+H"	33.033486
"388272"	1571.863758	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+K"	38.963158
"751094"	2338.314058	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+K"	38.963158
"1553513"	805.413458	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+K"	38.963158
"311778"	786.435517	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+H+K"	39.970434
"704199"	1169.660667	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+H+K"	39.970434
"1456926"	403.210367	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H+K"	39.970434
"241154"	1574.934426	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+ACN+H"	42.033826
"1224928"	808.484126	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+ACN+H"	42.033826
"1209052"	404.745701	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+ACN+2H"	43.041102
"199368"	1577.87176	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+2Na-H"	44.97116
"643307"	2344.32206	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+2Na-H"	44.97116
"1145475"	811.42146	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2Na-H"	44.97116
"184633"	789.439518	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+2Na"	45.978436
"620913"	1172.664668	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+2Na"	45.978436
"1127702"	406.214368	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2Na"	45.978436
"1403573"	271.145337333333	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H+2Na"	46.985712
"1437874"	813.463046	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H+HCOOH"	47.012746
"228662"	794.47254	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+3H2O+2H"	56.04448
"1517816"	827.51509	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+IsoProp+H"	61.06479
"414221"	797.426488	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+Na+K"	61.952376
"772299"	1180.651638	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+Na+K"	61.952376
"1670455"	414.201338	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Na+K"	61.952376
"255880"	1596.916368	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+ACN+Na"	64.015768
"1230048"	830.466068	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+ACN+Na"	64.015768
"1716383"	830.489593	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+NH4+HCOOH"	64.039293
"1178856"	278.472651333333	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+3Na"	68.967654
"1653453"	835.444988	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Na+HCOOH"	68.994688
"166149"	1609.81964	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+2K-H"	76.91904
"603523"	2376.26994	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+2K-H"	76.91904
"1093505"	843.36934	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2K-H"	76.91904
"145944"	805.413458	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"2M+2K"	77.926316
"584413"	1188.638608	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"3M+2K"	77.926316
"1077677"	422.188308	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2K"	77.926316
"1107604"	845.383892	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2K+H"	78.933592
"1350800"	845.471507	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+DMSO+H"	79.021207
"1016903"	849.510676	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2ACN+H"	83.060376
"1539036"	850.504308	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+IsoProp+Na+H"	84.054008
"1003663"	425.258976	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+2ACN+2H"	84.067652
"1600353"	851.418928	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+K+HCOOH"	84.968628
"1424917"	881.450438	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+H+CF3COOH"	115.000138
"1157394"	445.772251	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+3ACN+2H"	125.094202
"1710227"	898.476985	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+NH4+CF3COOH"	132.026685
"1649280"	903.43238	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+Na+CF3COOH"	136.98208
"1576059"	919.40632	"C17547"	"Akeboside Std;Akebia saponin C;Cauloside C"	"C41H66O13"	"766.4503"	"M+K+CF3COOH"	152.95602
"806423"	896.5133	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M"	0
"977040"	877.49491	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-H2O-H"	-19.01839
"65279"	596.668257333333	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M-3H"	-3.021828
"503742"	895.506024	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M-3H"	-3.021828
"882635"	297.830490666667	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-3H"	-3.021828
"1219"	895.506024	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M-2H"	-2.014552
"440488"	1343.762674	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M-2H"	-2.014552
"820410"	447.249374	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-2H"	-2.014552
"82586"	1792.019324	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M-H"	-1.007276
"526524"	2688.532624	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M-H"	-1.007276
"900314"	895.506024	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-H"	-1.007276
"52501"	1809.045871	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M-2H+NH4"	16.019271
"489144"	2705.559171	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M-2H+NH4"	16.019271
"864467"	912.532571	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-2H+NH4"	16.019271
"31610"	1814.001266	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M-2H+Na"	20.974666
"471686"	2710.514566	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M-2H+Na"	20.974666
"850387"	917.487966	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-2H+Na"	20.974666
"1618730"	917.487966	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Na-2H"	20.974666
"94989"	913.494363	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M-H+Cl"	33.962126
"534582"	1361.751013	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M-H+Cl"	33.962126
"938279"	465.237713	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-H+Cl"	33.962126
"280120"	1827.996002	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+Cl"	34.969402
"673637"	2724.509302	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+Cl"	34.969402
"1284945"	931.482702	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Cl"	34.969402
"29324"	1829.975206	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M-2H+K"	36.948606
"469004"	2726.488506	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M-2H+K"	36.948606
"842679"	933.461906	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-2H+K"	36.948606
"1570178"	933.461906	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+K-2H"	36.948606
"957696"	941.511494	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-H+HCOOH"	44.998194
"370080"	1838.024801	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+HCOOH-H"	44.998201
"357245"	1852.040451	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+Hac-H"	59.013851
"1498422"	955.527151	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Hac-H"	59.013851
"962684"	963.493451	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-H+NaCOOH"	66.980151
"117059"	931.482702	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+2Cl"	69.938804
"554431"	1379.739352	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+2Cl"	69.938804
"1029793"	483.226052	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2Cl"	69.938804
"1247185"	975.432185	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Br"	78.918885
"1309634"	977.488172	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Cl+HCOOH"	80.974872
"1328228"	999.470129	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Cl+NaCOOH"	102.956829
"920379"	1009.498886	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M-H+CF3COOH"	112.985586
"1293806"	1045.475564	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Cl+CF3COOH"	148.962264
"1376339"	861.500624	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H-2H2O"	-35.012676
"1393836"	879.5106	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H-H2O"	-17.0027
"291335"	1794.033876	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+H"	1.007276
"685947"	2690.547176	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+H"	1.007276
"1357920"	897.520576	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H"	1.007276
"132996"	897.520576	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+2H"	2.014552
"580705"	1345.777226	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+2H"	2.014552
"1050112"	449.263926	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2H"	2.014552
"219351"	598.682809333333	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+3H"	3.021828
"658911"	897.520576	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+3H"	3.021828
"1172417"	299.845042666667	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+3H"	3.021828
"434595"	1811.060423	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+NH4"	18.033823
"795590"	2707.573723	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+NH4"	18.033823
"1687550"	914.547123	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+NH4"	18.033823
"334732"	906.0338495	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+H+NH4"	19.041099
"728250"	1354.2904995	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+H+NH4"	19.041099
"1480975"	457.7771995	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H+NH4"	19.041099
"396374"	1816.015818	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+Na"	22.989218
"767957"	2712.529118	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+Na"	22.989218
"1613139"	919.502518	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Na"	22.989218
"325362"	908.511547	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+H+Na"	23.996494
"718879"	1356.768197	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+H+Na"	23.996494
"1470511"	460.254897	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H+Na"	23.996494
"1058286"	307.172356666667	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2H+Na"	25.00377
"1262152"	929.546786	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+CH3OH+H"	33.033486
"386196"	1831.989758	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+K"	38.963158
"751568"	2728.503058	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+K"	38.963158
"1553622"	935.476458	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+K"	38.963158
"308608"	916.498517	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+H+K"	39.970434
"702124"	1364.755167	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+H+K"	39.970434
"1458130"	468.241867	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H+K"	39.970434
"244544"	1835.060426	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+ACN+H"	42.033826
"1222729"	938.547126	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+ACN+H"	42.033826
"1208191"	469.777201	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+ACN+2H"	43.041102
"200572"	1837.99776	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+2Na-H"	44.97116
"641960"	2734.51106	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+2Na-H"	44.97116
"1141454"	941.48446	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2Na-H"	44.97116
"179277"	919.502518	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+2Na"	45.978436
"619930"	1367.759168	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+2Na"	45.978436
"1124531"	471.245868	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2Na"	45.978436
"1403683"	314.499670666667	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H+2Na"	46.985712
"1437257"	943.526046	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H+HCOOH"	47.012746
"226586"	924.53554	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+3H2O+2H"	56.04448
"1515740"	957.57809	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+IsoProp+H"	61.06479
"413238"	927.489488	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+Na+K"	61.952376
"772044"	1375.746138	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+Na+K"	61.952376
"1667646"	479.232838	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Na+K"	61.952376
"259267"	1857.042368	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+ACN+Na"	64.015768
"1234162"	960.529068	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+ACN+Na"	64.015768
"1715400"	960.552593	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+NH4+HCOOH"	64.039293
"1178846"	321.826984666667	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+3Na"	68.967654
"1653563"	965.507988	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Na+HCOOH"	68.994688
"160793"	1869.94564	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+2K-H"	76.91904
"600354"	2766.45894	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+2K-H"	76.91904
"1090336"	973.43234	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2K-H"	76.91904
"142530"	935.476458	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"2M+2K"	77.926316
"582092"	1383.733108	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"3M+2K"	77.926316
"1078880"	487.219808	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2K"	77.926316
"1106621"	975.446892	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2K+H"	78.933592
"1351281"	975.534507	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+DMSO+H"	79.021207
"1018106"	979.573676	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2ACN+H"	83.060376
"1538295"	980.567308	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+IsoProp+Na+H"	84.054008
"1003774"	490.290476	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+2ACN+2H"	84.067652
"1600463"	981.481928	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+K+HCOOH"	84.968628
"1427217"	1011.513438	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+H+CF3COOH"	115.000138
"1160784"	510.803751	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+3ACN+2H"	125.094202
"1710337"	1028.539985	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+NH4+CF3COOH"	132.026685
"1648903"	1033.49538	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+Na+CF3COOH"	136.98208
"1576169"	1049.46932	"C17548"	"Akeboside Ste"	"C47H76O16"	"896.5133"	"M+K+CF3COOH"	152.95602
"806533"	2017.1348	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M"	0
"977149"	1998.11641	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-H2O-H"	-19.01839
"65025"	1343.74925733333	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M-3H"	-3.021828
"506767"	2016.127524	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M-3H"	-3.021828
"881652"	671.370990666667	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-3H"	-3.021828
"1329"	2016.127524	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M-2H"	-2.014552
"442709"	3024.694924	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M-2H"	-2.014552
"821613"	1007.560124	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-2H"	-2.014552
"83789"	4033.262324	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M-H"	-1.007276
"525541"	6050.397124	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M-H"	-1.007276
"898966"	2016.127524	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-H"	-1.007276
"51518"	4050.288871	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M-2H+NH4"	16.019271
"489375"	6067.423671	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M-2H+NH4"	16.019271
"866691"	2033.154071	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-2H+NH4"	16.019271
"35320"	4055.244266	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M-2H+Na"	20.974666
"475973"	6072.379066	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M-2H+Na"	20.974666
"849520"	2038.109466	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-2H+Na"	20.974666
"1619417"	2038.109466	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Na-2H"	20.974666
"94977"	2034.115863	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M-H+Cl"	33.962126
"534651"	3042.683263	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M-H+Cl"	33.962126
"936202"	1025.548463	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-H+Cl"	33.962126
"276951"	4069.239002	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+Cl"	34.969402
"670466"	6086.373802	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+Cl"	34.969402
"1285055"	2052.104202	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Cl"	34.969402
"30163"	4071.218206	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M-2H+K"	36.948606
"469356"	6088.353006	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M-2H+K"	36.948606
"842789"	2054.083406	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-2H+K"	36.948606
"1568464"	2054.083406	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+K-2H"	36.948606
"956346"	2062.132994	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-H+HCOOH"	44.998194
"370190"	4079.267801	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+HCOOH-H"	44.998201
"357355"	4093.283451	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+Hac-H"	59.013851
"1497438"	2076.148651	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Hac-H"	59.013851
"962794"	2084.114951	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-H+NaCOOH"	66.980151
"117169"	2052.104202	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+2Cl"	69.938804
"553447"	3060.671602	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+2Cl"	69.938804
"1029903"	1043.536802	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2Cl"	69.938804
"1242919"	2096.053685	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Br"	78.918885
"1309744"	2098.109672	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Cl+HCOOH"	80.974872
"1329431"	2120.091629	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Cl+NaCOOH"	102.956829
"922676"	2130.120386	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M-H+CF3COOH"	112.985586
"1297196"	2166.097064	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Cl+CF3COOH"	148.962264
"1376449"	1982.122124	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H-2H2O"	-35.012676
"1393946"	2000.1321	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H-H2O"	-17.0027
"291445"	4035.276876	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+H"	1.007276
"687150"	6052.411676	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+H"	1.007276
"1358030"	2018.142076	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H"	1.007276
"133106"	2018.142076	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+2H"	2.014552
"578871"	3026.709476	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+2H"	2.014552
"1048034"	1009.574676	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2H"	2.014552
"217761"	1345.76380933333	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+3H"	3.021828
"654402"	2018.142076	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+3H"	3.021828
"1171433"	673.385542666667	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+3H"	3.021828
"437987"	4052.303423	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+NH4"	18.033823
"792419"	6069.438223	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+NH4"	18.033823
"1687659"	2035.168623	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+NH4"	18.033823
"334842"	2026.6553495	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+H+NH4"	19.041099
"728359"	3035.2227495	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+H+NH4"	19.041099
"1484365"	1018.0879495	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H+NH4"	19.041099
"401953"	4057.258818	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+Na"	22.989218
"766241"	6074.393618	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+Na"	22.989218
"1612153"	2040.124018	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Na"	22.989218
"318908"	2029.133047	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+H+Na"	23.996494
"715339"	3037.700447	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+H+Na"	23.996494
"1464055"	1020.565647	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H+Na"	23.996494
"1054019"	680.712856666667	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2H+Na"	25.00377
"1261168"	2050.168286	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+CH3OH+H"	33.033486
"387399"	4073.232758	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+K"	38.963158
"750585"	6090.367558	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+K"	38.963158
"1551546"	2056.097958	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+K"	38.963158
"307625"	2037.120017	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+H+K"	39.970434
"698955"	3045.687417	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+H+K"	39.970434
"1456053"	1028.552617	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H+K"	39.970434
"242102"	4076.303426	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+ACN+H"	42.033826
"1221745"	2059.168626	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+ACN+H"	42.033826
"1202345"	1030.087951	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+ACN+2H"	43.041102
"197402"	4079.24076	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+2Na-H"	44.97116
"639155"	6096.37556	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+2Na-H"	44.97116
"1142657"	2062.10596	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2Na-H"	44.97116
"180480"	2040.124018	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+2Na"	45.978436
"620040"	3048.691418	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+2Na"	45.978436
"1122454"	1031.556618	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2Na"	45.978436
"1403793"	688.040170666667	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H+2Na"	46.985712
"1436638"	2064.147546	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H+HCOOH"	47.012746
"225603"	2045.15704	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+3H2O+2H"	56.04448
"1513663"	2078.19959	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+IsoProp+H"	61.06479
"419181"	2048.110988	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+Na+K"	61.952376
"773249"	3056.678388	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+Na+K"	61.952376
"1668851"	1039.543588	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Na+K"	61.952376
"259378"	4098.285368	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+ACN+Na"	64.015768
"1236095"	2081.150568	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+ACN+Na"	64.015768
"1715145"	2081.174093	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+NH4+HCOOH"	64.039293
"1179035"	695.367484666667	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+3Na"	68.967654
"1652945"	2086.129488	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Na+HCOOH"	68.994688
"160903"	4111.18864	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+2K-H"	76.91904
"600464"	6128.32344	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+2K-H"	76.91904
"1089350"	2094.05384	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2K-H"	76.91904
"143978"	2056.097958	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"2M+2K"	77.926316
"583540"	3064.665358	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"3M+2K"	77.926316
"1076804"	1047.530558	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2K"	77.926316
"1106731"	2096.068392	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2K+H"	78.933592
"1350532"	2096.156007	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+DMSO+H"	79.021207
"1018209"	2100.195176	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2ACN+H"	83.060376
"1538284"	2101.188808	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+IsoProp+Na+H"	84.054008
"1001696"	1050.601226	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+2ACN+2H"	84.067652
"1597292"	2102.103428	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+K+HCOOH"	84.968628
"1429392"	2132.134938	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+H+CF3COOH"	115.000138
"1159801"	1071.114501	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+3ACN+2H"	125.094202
"1710447"	2149.161485	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+NH4+CF3COOH"	132.026685
"1649013"	2154.11688	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+Na+CF3COOH"	136.98208
"1576279"	2170.09082	"C17549"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine"	"C100H166N10O28P2"	"2017.1348"	"M+K+CF3COOH"	152.95602
"808829"	1946.0977	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M"	0
"976895"	1927.07931	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-H2O-H"	-19.01839
"64770"	1296.39119066667	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M-3H"	-3.021828
"504691"	1945.090424	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M-3H"	-3.021828
"881397"	647.691957333333	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-3H"	-3.021828
"1195"	1945.090424	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M-2H"	-2.014552
"442090"	2918.139274	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M-2H"	-2.014552
"819537"	972.041574	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-2H"	-2.014552
"82806"	3891.188124	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M-H"	-1.007276
"528931"	5837.285824	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M-H"	-1.007276
"900171"	1945.090424	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-H"	-1.007276
"52358"	3908.214671	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M-2H+NH4"	16.019271
"489850"	5854.312371	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M-2H+NH4"	16.019271
"868624"	1962.116971	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-2H+NH4"	16.019271
"35430"	3913.170066	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M-2H+Na"	20.974666
"474990"	5859.267766	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M-2H+Na"	20.974666
"850970"	1967.072366	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-2H+Na"	20.974666
"1621598"	1967.072366	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Na-2H"	20.974666
"94845"	1963.078763	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M-H+Cl"	33.962126
"535370"	2936.127613	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M-H+Cl"	33.962126
"938499"	990.029913	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-H+Cl"	33.962126
"277058"	3927.164802	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+Cl"	34.969402
"672762"	5873.262502	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+Cl"	34.969402
"1287231"	1981.067102	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Cl"	34.969402
"30637"	3929.144006	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M-2H+K"	36.948606
"469467"	5875.241706	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M-2H+K"	36.948606
"846179"	1983.046306	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-2H+K"	36.948606
"1567481"	1983.046306	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+K-2H"	36.948606
"956456"	1991.095894	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-H+HCOOH"	44.998194
"375769"	3937.193601	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+HCOOH-H"	44.998201
"356372"	3951.209251	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+Hac-H"	59.013851
"1496455"	2005.111551	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Hac-H"	59.013851
"962903"	2013.077851	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-H+NaCOOH"	66.980151
"118373"	1981.067102	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+2Cl"	69.938804
"559026"	2954.115952	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+2Cl"	69.938804
"1031108"	1008.018252	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2Cl"	69.938804
"1246310"	2025.016585	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Br"	78.918885
"1310947"	2027.072572	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Cl+HCOOH"	80.974872
"1331727"	2049.054529	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Cl+NaCOOH"	102.956829
"924972"	2059.083286	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M-H+CF3COOH"	112.985586
"1300587"	2095.059964	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Cl+CF3COOH"	148.962264
"1381663"	1911.085024	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H-2H2O"	-35.012676
"1394056"	1929.095	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H-H2O"	-17.0027
"294835"	3893.202676	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+H"	1.007276
"689449"	5839.300376	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+H"	1.007276
"1361420"	1947.104976	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H"	1.007276
"134309"	1947.104976	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+2H"	2.014552
"579343"	2920.153826	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+2H"	2.014552
"1050332"	974.056126	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2H"	2.014552
"217504"	1298.40574266667	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+3H"	3.021828
"654512"	1947.104976	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+3H"	3.021828
"1170450"	649.706509333333	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+3H"	3.021828
"439314"	3910.229223	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+NH4"	18.033823
"793623"	5856.326923	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+NH4"	18.033823
"1686676"	1964.131523	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+NH4"	18.033823
"334223"	1955.6182495	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+H+NH4"	19.041099
"727376"	2928.6670995	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+H+NH4"	19.041099
"1483383"	982.5693995	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H+NH4"	19.041099
"404249"	3915.184618	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+Na"	22.989218
"764163"	5861.282318	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+Na"	22.989218
"1611168"	1969.086918	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Na"	22.989218
"316223"	1958.095947	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+H+Na"	23.996494
"709252"	2931.144797	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+H+Na"	23.996494
"1464526"	985.047097	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H+Na"	23.996494
"1055585"	657.033823333333	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2H+Na"	25.00377
"1258721"	1979.131186	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+CH3OH+H"	33.033486
"381310"	3931.158558	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+K"	38.963158
"750695"	5877.256258	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+K"	38.963158
"1551656"	1985.060858	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+K"	38.963158
"306643"	1966.082917	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+H+K"	39.970434
"700159"	2939.131767	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+H+K"	39.970434
"1453978"	993.034067	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H+K"	39.970434
"244764"	3934.229226	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+ACN+H"	42.033826
"1222948"	1988.131526	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+ACN+H"	42.033826
"1202455"	994.569401	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+ACN+2H"	43.041102
"195325"	3937.16656	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+2Na-H"	44.97116
"641453"	5883.26426	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+2Na-H"	44.97116
"1141673"	1991.06886	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2Na-H"	44.97116
"181684"	1969.086918	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+2Na"	45.978436
"623430"	2942.135768	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+2Na"	45.978436
"1125844"	996.038068	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2Na"	45.978436
"1404999"	664.361137333333	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H+2Na"	46.985712
"1437477"	1993.110446	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H+HCOOH"	47.012746
"228992"	1974.11994	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+3H2O+2H"	56.04448
"1515959"	2007.16249	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+IsoProp+H"	61.06479
"420384"	1977.073888	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+Na+K"	61.952376
"777733"	2950.122738	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+Na+K"	61.952376
"1677343"	1004.025038	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Na+K"	61.952376
"260581"	3956.211168	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+ACN+Na"	64.015768
"1236569"	2010.113468	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+ACN+Na"	64.015768
"1715984"	2010.136993	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+NH4+HCOOH"	64.039293
"1179997"	671.688451333333	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+3Na"	68.967654
"1653055"	2015.092388	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Na+HCOOH"	68.994688
"164292"	3969.11444	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+2K-H"	76.91904
"604946"	5915.21214	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+2K-H"	76.91904
"1088366"	2023.01674	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2K-H"	76.91904
"142099"	1985.060858	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"2M+2K"	77.926316
"582553"	2958.109708	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"3M+2K"	77.926316
"1076914"	1012.012008	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2K"	77.926316
"1109027"	2025.031292	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2K+H"	78.933592
"1350036"	2025.118907	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+DMSO+H"	79.021207
"1017955"	2029.158076	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2ACN+H"	83.060376
"1537546"	2030.151708	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+IsoProp+Na+H"	84.054008
"1005090"	1015.082676	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+2ACN+2H"	84.067652
"1600684"	2031.066328	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+K+HCOOH"	84.968628
"1429260"	2061.097838	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+H+CF3COOH"	115.000138
"1161734"	1035.595951	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+3ACN+2H"	125.094202
"1712017"	2078.124385	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+NH4+CF3COOH"	132.026685
"1649367"	2083.07978	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+Na+CF3COOH"	136.98208
"1577482"	2099.05372	"C17550"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine"	"C97H161N9O27P2"	"1946.0977"	"M+K+CF3COOH"	152.95602
"806755"	986.5239	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M"	0
"977005"	967.50551	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-H2O-H"	-19.01839
"64152"	656.675324	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M-3H"	-3.021828
"504077"	985.516624	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M-3H"	-3.021828
"885892"	327.834024	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-3H"	-3.021828
"5566"	985.516624	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M-2H"	-2.014552
"455586"	1478.778574	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M-2H"	-2.014552
"832729"	492.254674	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-2H"	-2.014552
"89481"	1972.040524	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M-H"	-1.007276
"530135"	2958.564424	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M-H"	-1.007276
"899189"	985.516624	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-H"	-1.007276
"52467"	1989.067071	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M-2H+NH4"	16.019271
"489839"	2975.590971	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M-2H+NH4"	16.019271
"865207"	1002.543171	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-2H+NH4"	16.019271
"33718"	1994.022466	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M-2H+Na"	20.974666
"473035"	2980.546366	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M-2H+Na"	20.974666
"856187"	1007.498566	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-2H+Na"	20.974666
"1622803"	1007.498566	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Na-2H"	20.974666
"105535"	1003.504963	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M-H+Cl"	33.962126
"537808"	1496.766913	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M-H+Cl"	33.962126
"941652"	510.243013	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-H+Cl"	33.962126
"279357"	2008.017202	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+Cl"	34.969402
"671778"	2994.541102	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+Cl"	34.969402
"1287465"	1021.493302	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Cl"	34.969402
"30509"	2009.996406	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M-2H+K"	36.948606
"471293"	2996.520306	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M-2H+K"	36.948606
"847752"	1023.472506	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-2H+K"	36.948606
"1570835"	1023.472506	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+K-2H"	36.948606
"952196"	1031.522094	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-H+HCOOH"	44.998194
"371505"	2018.046001	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+HCOOH-H"	44.998201
"354295"	2032.061651	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+Hac-H"	59.013851
"1499848"	1045.537751	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Hac-H"	59.013851
"967388"	1053.504051	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-H+NaCOOH"	66.980151
"118484"	1021.493302	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+2Cl"	69.938804
"555856"	1514.755252	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+2Cl"	69.938804
"1026844"	528.231352	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2Cl"	69.938804
"1255543"	1065.442785	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Br"	78.918885
"1318720"	1067.498772	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Cl+HCOOH"	80.974872
"1332569"	1089.480729	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Cl+NaCOOH"	102.956829
"922896"	1099.509486	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M-H+CF3COOH"	112.985586
"1296324"	1135.486164	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Cl+CF3COOH"	148.962264
"1374484"	951.511224	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H-2H2O"	-35.012676
"1389797"	969.5212	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H-H2O"	-17.0027
"292764"	1974.055076	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+H"	1.007276
"689564"	2960.578976	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+H"	1.007276
"1364095"	987.531176	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H"	1.007276
"135160"	987.531176	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+2H"	2.014552
"578003"	1480.793126	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+2H"	2.014552
"1047163"	494.269226	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2H"	2.014552
"213606"	658.689876	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+3H"	3.021828
"654625"	987.531176	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+3H"	3.021828
"1172387"	329.848576	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+3H"	3.021828
"434203"	1991.081623	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+NH4"	18.033823
"794831"	2977.605523	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+NH4"	18.033823
"1691166"	1004.557723	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+NH4"	18.033823
"340537"	996.0444495	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+H+NH4"	19.041099
"729677"	1489.3063995	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+H+NH4"	19.041099
"1490068"	502.7824995	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H+NH4"	19.041099
"405101"	1996.037018	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+Na"	22.989218
"765368"	2982.560918	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+Na"	22.989218
"1611279"	1009.513118	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Na"	22.989218
"322409"	998.522147	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+H+Na"	23.996494
"713737"	1491.784097	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+H+Na"	23.996494
"1465370"	505.260197	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H+Na"	23.996494
"1068059"	337.17589	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2H+Na"	25.00377
"1271234"	1019.557386	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+CH3OH+H"	33.033486
"388718"	2012.010958	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+K"	38.963158
"749712"	2998.534858	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+K"	38.963158
"1548486"	1025.487058	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+K"	38.963158
"310036"	1006.509117	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+H+K"	39.970434
"705011"	1499.771067	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+H+K"	39.970434
"1456279"	513.247167	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H+K"	39.970434
"249258"	2015.081626	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+ACN+H"	42.033826
"1223060"	1028.557726	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+ACN+H"	42.033826
"1204756"	514.782501	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+ACN+2H"	43.041102
"198721"	2018.01896	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+2Na-H"	44.97116
"638281"	3004.54286	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+2Na-H"	44.97116
"1138505"	1031.49506	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2Na-H"	44.97116
"182892"	1009.513118	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+2Na"	45.978436
"620266"	1502.775068	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+2Na"	45.978436
"1117212"	516.251168	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2Na"	45.978436
"1399760"	344.503204	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H+2Na"	46.985712
"1431026"	1033.536646	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H+HCOOH"	47.012746
"223637"	1014.54614	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+3H2O+2H"	56.04448
"1513887"	1047.58869	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+IsoProp+H"	61.06479
"415758"	1017.500088	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+Na+K"	61.952376
"773470"	1510.762038	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+Na+K"	61.952376
"1667973"	524.238138	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Na+K"	61.952376
"259613"	2037.063568	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+ACN+Na"	64.015768
"1236692"	1050.539668	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+ACN+Na"	64.015768
"1722295"	1050.563193	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+NH4+HCOOH"	64.039293
"1188749"	351.830518	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+3Na"	68.967654
"1660828"	1055.518588	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Na+HCOOH"	68.994688
"171824"	2049.96684	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+2K-H"	76.91904
"608343"	3036.49074	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+2K-H"	76.91904
"1090664"	1063.44294	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2K-H"	76.91904
"149671"	1025.487058	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"2M+2K"	77.926316
"594336"	1518.749008	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"3M+2K"	77.926316
"1083839"	532.225108	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2K"	77.926316
"1114612"	1065.457492	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2K+H"	78.933592
"1343346"	1065.545107	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+DMSO+H"	79.021207
"1016249"	1069.584276	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2ACN+H"	83.060376
"1535470"	1070.577908	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+IsoProp+Na+H"	84.054008
"1004104"	535.295776	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+2ACN+2H"	84.067652
"1596418"	1071.492528	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+K+HCOOH"	84.968628
"1419889"	1101.524038	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+H+CF3COOH"	115.000138
"1155647"	555.809051	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+3ACN+2H"	125.094202
"1709573"	1118.550585	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+NH4+CF3COOH"	132.026685
"1641942"	1123.50598	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+Na+CF3COOH"	136.98208
"1586342"	1139.47992	"C17553"	"Condurango glycoside A"	"C53H78O17"	"986.5239"	"M+K+CF3COOH"	152.95602
"803586"	676.2367	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M"	0
"976020"	657.21831	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-H2O-H"	-19.01839
"66454"	449.817190666667	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M-3H"	-3.021828
"506017"	675.229424	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M-3H"	-3.021828
"894032"	224.404957333333	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-3H"	-3.021828
"13336"	675.229424	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M-2H"	-2.014552
"454960"	1013.347774	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M-2H"	-2.014552
"831425"	337.111074	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-2H"	-2.014552
"89591"	1351.466124	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M-H"	-1.007276
"526965"	2027.702824	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M-H"	-1.007276
"899299"	675.229424	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-H"	-1.007276
"52577"	1368.492671	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M-2H+NH4"	16.019271
"491041"	2044.729371	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M-2H+NH4"	16.019271
"866656"	692.255971	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-2H+NH4"	16.019271
"33466"	1373.448066	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M-2H+Na"	20.974666
"476673"	2049.684766	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M-2H+Na"	20.974666
"853381"	697.211366	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-2H+Na"	20.974666
"1625836"	697.211366	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Na-2H"	20.974666
"104556"	693.217763	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M-H+Cl"	33.962126
"546306"	1031.336113	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M-H+Cl"	33.962126
"940548"	355.099413	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-H+Cl"	33.962126
"280561"	1387.442802	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+Cl"	34.969402
"670796"	2063.679502	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+Cl"	34.969402
"1287214"	711.206102	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Cl"	34.969402
"29405"	1389.422006	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M-2H+K"	36.948606
"469938"	2065.658706	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M-2H+K"	36.948606
"846040"	713.185306	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-2H+K"	36.948606
"1569527"	713.185306	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+K-2H"	36.948606
"952306"	721.234894	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-H+HCOOH"	44.998194
"367242"	1397.471601	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+HCOOH-H"	44.998201
"358054"	1411.487251	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+Hac-H"	59.013851
"1499960"	735.250551	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Hac-H"	59.013851
"967501"	743.216851	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-H+NaCOOH"	66.980151
"115314"	711.206102	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+2Cl"	69.938804
"561437"	1049.324452	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+2Cl"	69.938804
"1030241"	373.087752	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2Cl"	69.938804
"1256016"	755.155585	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Br"	78.918885
"1318100"	757.211572	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Cl+HCOOH"	80.974872
"1329763"	779.193529	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Cl+NaCOOH"	102.956829
"925195"	789.222286	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M-H+CF3COOH"	112.985586
"1301540"	825.198964	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Cl+CF3COOH"	148.962264
"1377881"	641.224024	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H-2H2O"	-35.012676
"1394282"	659.234	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H-H2O"	-17.0027
"296521"	1353.480676	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+H"	1.007276
"690289"	2029.717376	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+H"	1.007276
"1362748"	677.243976	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H"	1.007276
"135634"	677.243976	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+2H"	2.014552
"576288"	1015.362326	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+2H"	2.014552
"1046180"	339.125626	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2H"	2.014552
"218215"	451.831742666667	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+3H"	3.021828
"655100"	677.243976	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+3H"	3.021828
"1174687"	226.419509333333	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+3H"	3.021828
"433584"	1370.507223	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+NH4"	18.033823
"798226"	2046.743923	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+NH4"	18.033823
"1694192"	694.270523	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+NH4"	18.033823
"340647"	685.7572495	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+H+NH4"	19.041099
"734171"	1023.8755995	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+H+NH4"	19.041099
"1486899"	347.6388995	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H+NH4"	19.041099
"405212"	1375.462618	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+Na"	22.989218
"766575"	2051.699318	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+Na"	22.989218
"1613577"	699.225918	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Na"	22.989218
"326895"	688.234947	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+H+Na"	23.996494
"718225"	1026.353297	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+H+Na"	23.996494
"1472049"	350.116597	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H+Na"	23.996494
"1065295"	233.746823333333	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2H+Na"	25.00377
"1268067"	709.270186	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+CH3OH+H"	33.033486
"388465"	1391.436558	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+K"	38.963158
"747640"	2067.673258	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+K"	38.963158
"1548597"	715.199858	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+K"	38.963158
"310878"	696.221917	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+H+K"	39.970434
"695278"	1034.340267	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+H+K"	39.970434
"1449829"	358.103567	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H+K"	39.970434
"244992"	1394.507226	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+ACN+H"	42.033826
"1218796"	718.270526	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+ACN+H"	42.033826
"1199399"	359.638901	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+ACN+2H"	43.041102
"193364"	1397.44456	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+2Na-H"	44.97116
"635111"	2073.68126	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+2Na-H"	44.97116
"1132660"	721.20786	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2Na-H"	44.97116
"174492"	699.225918	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+2Na"	45.978436
"614906"	1037.344268	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+2Na"	45.978436
"1116831"	361.107568	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2Na"	45.978436
"1398898"	241.074137333333	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H+2Na"	46.985712
"1431867"	723.249446	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H+HCOOH"	47.012746
"227029"	704.25894	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+3H2O+2H"	56.04448
"1513268"	737.30149	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+IsoProp+H"	61.06479
"412589"	707.212888	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+Na+K"	61.952376
"772489"	1045.331238	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+Na+K"	61.952376
"1675387"	369.094538	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Na+K"	61.952376
"260816"	1416.489168	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+ACN+Na"	64.015768
"1236805"	740.252468	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+ACN+Na"	64.015768
"1721317"	740.275993	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+NH4+HCOOH"	64.039293
"1189589"	248.401451333333	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+3Na"	68.967654
"1664831"	745.231388	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Na+HCOOH"	68.994688
"172588"	1429.39244	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+2K-H"	76.91904
"609547"	2105.62914	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+2K-H"	76.91904
"1099902"	753.15574	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2K-H"	76.91904
"156839"	715.199858	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"2M+2K"	77.926316
"595787"	1053.318208	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"3M+2K"	77.926316
"1083580"	377.081508	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2K"	77.926316
"1114359"	755.170292	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2K+H"	78.933592
"1343453"	755.257907	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+DMSO+H"	79.021207
"1015265"	759.297076	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2ACN+H"	83.060376
"1537763"	760.290708	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+IsoProp+Na+H"	84.054008
"998745"	380.152176	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+2ACN+2H"	84.067652
"1594340"	761.205328	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+K+HCOOH"	84.968628
"1416718"	791.236838	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+H+CF3COOH"	115.000138
"1152477"	400.665451	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+3ACN+2H"	125.094202
"1702027"	808.263385	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+NH4+CF3COOH"	132.026685
"1639867"	813.21878	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+Na+CF3COOH"	136.98208
"1586453"	829.19272	"C17555"	"Icariin"	"C33H40O15"	"676.2367"	"M+K+CF3COOH"	152.95602
"810256"	846.6655	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M"	0
"977225"	827.64711	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H2O-H"	-19.01839
"68751"	563.436390666667	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-3H"	-3.021828
"508313"	845.658224	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-3H"	-3.021828
"891591"	281.214557333333	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-3H"	-3.021828
"13445"	845.658224	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H"	-2.014552
"454585"	1268.990974	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H"	-2.014552
"831414"	422.325474	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H"	-2.014552
"86421"	1692.323724	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-H"	-1.007276
"532542"	2538.989224	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-H"	-1.007276
"901596"	845.658224	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H"	-1.007276
"53415"	1709.350271	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+NH4"	16.019271
"491517"	2556.015771	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+NH4"	16.019271
"871140"	862.684771	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+NH4"	16.019271
"36492"	1714.305666	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+Na"	20.974666
"479699"	2560.971166	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+Na"	20.974666
"857501"	867.640166	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+Na"	20.974666
"1630317"	867.640166	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na-2H"	20.974666
"105751"	863.646563	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-H+Cl"	33.962126
"546416"	1286.979313	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-H+Cl"	33.962126
"939808"	440.313813	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+Cl"	33.962126
"278487"	1728.300402	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Cl"	34.969402
"672001"	2574.965902	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Cl"	34.969402
"1287325"	881.634902	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl"	34.969402
"27693"	1730.279606	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+K"	36.948606
"471246"	2576.945106	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+K"	36.948606
"847244"	883.614106	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+K"	36.948606
"1570247"	883.614106	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K-2H"	36.948606
"956791"	891.663694	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+HCOOH"	44.998194
"372456"	1738.329201	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+HCOOH-H"	44.998201
"358165"	1752.344851	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Hac-H"	59.013851
"1503350"	905.679351	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Hac-H"	59.013851
"969435"	913.645651	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+NaCOOH"	66.980151
"119799"	881.634902	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Cl"	69.938804
"556079"	1304.967652	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Cl"	69.938804
"1033632"	458.302152	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Cl"	69.938804
"1256938"	925.584385	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Br"	78.918885
"1317117"	927.640372	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+HCOOH"	80.974872
"1333519"	949.622329	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+NaCOOH"	102.956829
"925670"	959.651086	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+CF3COOH"	112.985586
"1302013"	995.627764	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+CF3COOH"	148.962264
"1379813"	811.652824	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H-2H2O"	-35.012676
"1395487"	829.6628	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H-H2O"	-17.0027
"296631"	1694.338276	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H"	1.007276
"690036"	2541.003776	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H"	1.007276
"1363955"	847.672776	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H"	1.007276
"137206"	847.672776	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2H"	2.014552
"579319"	1271.005526	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2H"	2.014552
"1050305"	424.340026	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2H"	2.014552
"216015"	565.450942666667	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+3H"	3.021828
"654480"	847.672776	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+3H"	3.021828
"1176255"	283.229109333333	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3H"	3.021828
"437584"	1711.364823	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+NH4"	18.033823
"794690"	2558.030323	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+NH4"	18.033823
"1693577"	864.699323	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4"	18.033823
"342216"	856.1860495	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+NH4"	19.041099
"731001"	1279.5187995	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+NH4"	19.041099
"1485915"	432.8532995	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+NH4"	19.041099
"404230"	1716.320218	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Na"	22.989218
"766320"	2562.985718	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Na"	22.989218
"1613687"	869.654718	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na"	22.989218
"325913"	858.663747	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+Na"	23.996494
"718336"	1281.996497	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+Na"	23.996494
"1466693"	435.330997	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+Na"	23.996494
"1057020"	290.556423333333	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2H+Na"	25.00377
"1263801"	879.698986	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+CH3OH+H"	33.033486
"384566"	1732.294158	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+K"	38.963158
"745562"	2578.959658	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+K"	38.963158
"1545427"	885.628658	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K"	38.963158
"309164"	866.650717	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+K"	39.970434
"695025"	1289.983467	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+K"	39.970434
"1451033"	443.317967	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+K"	39.970434
"246196"	1735.364826	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+ACN+H"	42.033826
"1221094"	888.699326	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+H"	42.033826
"1204976"	444.853301	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+2H"	43.041102
"193474"	1738.30216	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Na-H"	44.97116
"635221"	2584.96766	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Na-H"	44.97116
"1136540"	891.63666	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Na-H"	44.97116
"176550"	869.654718	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Na"	45.978436
"617204"	1292.987468	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Na"	45.978436
"1120710"	446.321968	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Na"	45.978436
"1400955"	297.883737333333	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+2Na"	46.985712
"1436350"	893.678246	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+HCOOH"	47.012746
"230056"	874.68774	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+3H2O+2H"	56.04448
"1516295"	907.73029	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+IsoProp+H"	61.06479
"410512"	877.641688	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Na+K"	61.952376
"772963"	1300.974438	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Na+K"	61.952376
"1676592"	454.308938	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+K"	61.952376
"262748"	1757.346768	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+ACN+Na"	64.015768
"1238007"	910.681268	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+Na"	64.015768
"1724343"	910.704793	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4+HCOOH"	64.039293
"1190064"	305.211051333333	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3Na"	68.967654
"1664335"	915.660188	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+HCOOH"	68.994688
"170098"	1770.25004	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2K-H"	76.91904
"607470"	2616.91554	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2K-H"	76.91904
"1096357"	923.58454	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K-H"	76.91904
"152080"	885.628658	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2K"	77.926316
"596020"	1308.961408	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2K"	77.926316
"1080531"	462.295908	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K"	77.926316
"1111552"	925.599092	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K+H"	78.933592
"1344656"	925.686707	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+DMSO+H"	79.021207
"1016468"	929.725876	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2ACN+H"	83.060376
"1537873"	930.719508	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+IsoProp+Na+H"	84.054008
"1002133"	465.366576	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2ACN+2H"	84.067652
"1593357"	931.634128	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K+HCOOH"	84.968628
"1421202"	961.665638	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+CF3COOH"	115.000138
"1153680"	485.879851	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3ACN+2H"	125.094202
"1707604"	978.692185	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4+CF3COOH"	132.026685
"1639977"	983.64758	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+CF3COOH"	136.98208
"1586563"	999.62152	"C17556"	"di-transpoly-cis-Undecaprenyl phosphate;Undecaprenyl phosphate;ditransoctacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K+CF3COOH"	152.95602
"803806"	370.1893	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M"	0
"974782"	351.17091	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-H2O-H"	-19.01839
"65581"	245.785590666667	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M-3H"	-3.021828
"507330"	369.182024	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M-3H"	-3.021828
"892794"	122.389157333333	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-3H"	-3.021828
"14648"	369.182024	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M-2H"	-2.014552
"454208"	554.276674	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M-2H"	-2.014552
"831768"	184.087374	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-2H"	-2.014552
"86531"	739.371324	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M-H"	-1.007276
"532288"	1109.560624	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M-H"	-1.007276
"901705"	369.182024	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-H"	-1.007276
"52432"	756.397871	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M-2H+NH4"	16.019271
"492355"	1126.587171	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M-2H+NH4"	16.019271
"870157"	386.208571	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-2H+NH4"	16.019271
"37331"	761.353266	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M-2H+Na"	20.974666
"479080"	1131.542566	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M-2H+Na"	20.974666
"856518"	391.163966	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-2H+Na"	20.974666
"1629334"	391.163966	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Na-2H"	20.974666
"105861"	387.170363	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M-H+Cl"	33.962126
"547252"	572.265013	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M-H+Cl"	33.962126
"939675"	202.075713	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-H+Cl"	33.962126
"279685"	775.348002	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+Cl"	34.969402
"673200"	1145.537302	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+Cl"	34.969402
"1284517"	405.158702	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Cl"	34.969402
"28166"	777.327206	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M-2H+K"	36.948606
"470280"	1147.516506	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M-2H+K"	36.948606
"842249"	407.137906	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-2H+K"	36.948606
"1569382"	407.137906	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+K-2H"	36.948606
"954712"	415.187494	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-H+HCOOH"	44.998194
"375844"	785.376801	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+HCOOH-H"	44.998201
"350250"	799.392451	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+Hac-H"	59.013851
"1499080"	429.203151	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Hac-H"	59.013851
"972459"	437.169451	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-H+NaCOOH"	66.980151
"121002"	405.158702	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+2Cl"	69.938804
"558375"	590.253352	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+2Cl"	69.938804
"1033742"	220.064052	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2Cl"	69.938804
"1255507"	449.108185	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Br"	78.918885
"1316498"	451.164172	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Cl+HCOOH"	80.974872
"1333630"	473.146129	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Cl+NaCOOH"	102.956829
"925052"	483.174886	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M-H+CF3COOH"	112.985586
"1301030"	519.151564	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Cl+CF3COOH"	148.962264
"1380288"	335.176624	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H-2H2O"	-35.012676
"1395961"	353.1866	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H-H2O"	-17.0027
"292001"	741.385876	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+H"	1.007276
"690875"	1111.575176	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+H"	1.007276
"1365887"	371.196576	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H"	1.007276
"139869"	371.196576	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+2H"	2.014552
"580403"	556.291226	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+2H"	2.014552
"1051629"	186.101926	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2H"	2.014552
"216489"	247.800142666667	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+3H"	3.021828
"654954"	371.196576	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+3H"	3.021828
"1177339"	124.403709333333	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+3H"	3.021828
"436355"	758.412423	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+NH4"	18.033823
"798812"	1128.601723	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+NH4"	18.033823
"1693683"	388.223123	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+NH4"	18.033823
"342690"	379.7098495	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+H+NH4"	19.041099
"735114"	564.8044995	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+H+NH4"	19.041099
"1490035"	194.6151995	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H+NH4"	19.041099
"404339"	763.367818	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+Na"	22.989218
"767159"	1133.557118	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+Na"	22.989218
"1615986"	393.178518	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Na"	22.989218
"325660"	382.187547	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+H+Na"	23.996494
"720755"	567.282197	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+H+Na"	23.996494
"1470084"	197.092897	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H+Na"	23.996494
"1062235"	131.731023333333	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2H+Na"	25.00377
"1266101"	403.222786	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+CH3OH+H"	33.033486
"387957"	779.341758	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+K"	38.963158
"747859"	1149.531058	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+K"	38.963158
"1548818"	409.152458	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+K"	38.963158
"309274"	390.174517	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+H+K"	39.970434
"695136"	575.269167	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+H+K"	39.970434
"1456611"	205.079867	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H+K"	39.970434
"247402"	782.412426	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+ACN+H"	42.033826
"1215736"	412.223126	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+ACN+H"	42.033826
"1203994"	206.615201	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+ACN+2H"	43.041102
"191397"	785.34976	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+2Na-H"	44.97116
"636424"	1155.53906	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+2Na-H"	44.97116
"1139931"	415.16046	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2Na-H"	44.97116
"176661"	393.178518	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+2Na"	45.978436
"617314"	578.273168	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+2Na"	45.978436
"1126287"	208.083868	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2Na"	45.978436
"1401187"	139.058337333333	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H+2Na"	46.985712
"1436460"	417.202046	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H+HCOOH"	47.012746
"231259"	398.21154	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+3H2O+2H"	56.04448
"1518592"	431.25409	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+IsoProp+H"	61.06479
"412809"	401.165488	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+Na+K"	61.952376
"774896"	586.260138	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+Na+K"	61.952376
"1676338"	216.070838	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Na+K"	61.952376
"262130"	804.394368	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+ACN+Na"	64.015768
"1238849"	434.205068	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+ACN+Na"	64.015768
"1725912"	434.228593	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+NH4+HCOOH"	64.039293
"1191756"	146.385651333333	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+3Na"	68.967654
"1662620"	439.183988	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Na+HCOOH"	68.994688
"171182"	817.29764	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+2K-H"	76.91904
"608673"	1187.48694	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+2K-H"	76.91904
"1096467"	447.10834	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2K-H"	76.91904
"152190"	409.152458	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"2M+2K"	77.926316
"596123"	594.247108	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"3M+2K"	77.926316
"1080640"	224.057808	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2K"	77.926316
"1111661"	449.122892	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2K+H"	78.933592
"1348046"	449.210507	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+DMSO+H"	79.021207
"1018764"	453.249676	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2ACN+H"	83.060376
"1538469"	454.243308	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+IsoProp+Na+H"	84.054008
"1002972"	227.128476	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+2ACN+2H"	84.067652
"1594561"	455.157928	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+K+HCOOH"	84.968628
"1416939"	485.189438	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+H+CF3COOH"	115.000138
"1152697"	247.641751	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+3ACN+2H"	125.094202
"1703341"	502.215985	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+NH4+CF3COOH"	132.026685
"1640087"	507.17138	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+Na+CF3COOH"	136.98208
"1586673"	523.14532	"C17557"	"Lonicerin"	"C21H26N2O4"	"370.1893"	"M+K+CF3COOH"	152.95602
"805009"	766.6992	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M"	0
"974385"	747.68081	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-H2O-H"	-19.01839
"65691"	510.125524	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M-3H"	-3.021828
"507440"	765.691924	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M-3H"	-3.021828
"895502"	254.559124	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-3H"	-3.021828
"15643"	765.691924	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M-2H"	-2.014552
"455600"	1149.041524	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M-2H"	-2.014552
"831023"	382.342324	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-2H"	-2.014552
"84453"	1532.391124	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M-H"	-1.007276
"527295"	2299.090324	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M-H"	-1.007276
"906187"	765.691924	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-H"	-1.007276
"53269"	1549.417671	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M-2H+NH4"	16.019271
"493558"	2316.116871	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M-2H+NH4"	16.019271
"869173"	782.718471	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-2H+NH4"	16.019271
"36348"	1554.373066	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M-2H+Na"	20.974666
"478096"	2321.072266	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M-2H+Na"	20.974666
"854075"	787.673866	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-2H+Na"	20.974666
"1632602"	787.673866	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Na-2H"	20.974666
"102691"	783.680263	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M-H+Cl"	33.962126
"549639"	1167.029863	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M-H+Cl"	33.962126
"942095"	400.330663	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-H+Cl"	33.962126
"282517"	1568.367802	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+Cl"	34.969402
"674779"	2335.067002	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+Cl"	34.969402
"1286328"	801.668602	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Cl"	34.969402
"29369"	1570.347006	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M-2H+K"	36.948606
"470876"	2337.046206	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M-2H+K"	36.948606
"846004"	803.647806	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-2H+K"	36.948606
"1570344"	803.647806	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+K-2H"	36.948606
"956648"	811.697394	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-H+HCOOH"	44.998194
"376444"	1578.396601	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+HCOOH-H"	44.998201
"359107"	1592.412251	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+Hac-H"	59.013851
"1500284"	825.713051	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Hac-H"	59.013851
"972327"	833.679351	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-H+NaCOOH"	66.980151
"124638"	801.668602	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+2Cl"	69.938804
"564198"	1185.018202	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+2Cl"	69.938804
"1035683"	418.319002	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2Cl"	69.938804
"1256348"	845.618085	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Br"	78.918885
"1319166"	847.674072	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Cl+HCOOH"	80.974872
"1335365"	869.656029	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Cl+NaCOOH"	102.956829
"927009"	879.684786	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M-H+CF3COOH"	112.985586
"1302599"	915.661464	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Cl+CF3COOH"	148.962264
"1381860"	731.686524	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H-2H2O"	-35.012676
"1398414"	749.6965	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H-H2O"	-17.0027
"297218"	1534.405676	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+H"	1.007276
"688548"	2301.104876	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+H"	1.007276
"1366607"	767.706476	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H"	1.007276
"140227"	767.706476	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+2H"	2.014552
"580638"	1151.056076	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+2H"	2.014552
"1051262"	384.356876	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2H"	2.014552
"219843"	512.140076	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+3H"	3.021828
"659204"	767.706476	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+3H"	3.021828
"1176476"	256.573676	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+3H"	3.021828
"436464"	1551.432223	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+NH4"	18.033823
"799894"	2318.131423	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+NH4"	18.033823
"1694158"	784.733023	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+NH4"	18.033823
"342436"	776.2197495	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+H+NH4"	19.041099
"734493"	1159.5693495	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+H+NH4"	19.041099
"1491238"	392.8701495	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H+NH4"	19.041099
"404085"	1556.387618	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+Na"	22.989218
"768484"	2323.086818	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+Na"	22.989218
"1617191"	789.688418	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Na"	22.989218
"328198"	778.697447	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+H+Na"	23.996494
"721472"	1162.047047	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+H+Na"	23.996494
"1473473"	395.347847	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H+Na"	23.996494
"1061251"	263.90099	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2H+Na"	25.00377
"1266210"	799.732686	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+CH3OH+H"	33.033486
"383693"	1572.361558	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+K"	38.963158
"746875"	2339.060758	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+K"	38.963158
"1548928"	805.662358	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+K"	38.963158
"310477"	786.684417	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+H+K"	39.970434
"699618"	1170.034017	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+H+K"	39.970434
"1456722"	403.334817	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H+K"	39.970434
"246419"	1575.432226	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+ACN+H"	42.033826
"1221316"	808.733026	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+ACN+H"	42.033826
"1204105"	404.870151	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+ACN+2H"	43.041102
"191507"	1578.36956	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+2Na-H"	44.97116
"635441"	2345.06876	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+2Na-H"	44.97116
"1136761"	811.67036	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2Na-H"	44.97116
"176771"	789.688418	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+2Na"	45.978436
"617425"	1173.038018	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+2Na"	45.978436
"1124211"	406.338818	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2Na"	45.978436
"1404456"	271.228304	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H+2Na"	46.985712
"1436570"	813.711946	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H+HCOOH"	47.012746
"231733"	794.72144	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+3H2O+2H"	56.04448
"1520888"	827.76399	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+IsoProp+H"	61.06479
"416199"	797.675388	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+Na+K"	61.952376
"773183"	1181.024988	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+Na+K"	61.952376
"1679362"	414.325788	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Na+K"	61.952376
"265155"	1597.414168	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+ACN+Na"	64.015768
"1239322"	830.714968	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+ACN+Na"	64.015768
"1727843"	830.738493	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+NH4+HCOOH"	64.039293
"1192470"	278.555618	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+3Na"	68.967654
"1661271"	835.693888	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Na+HCOOH"	68.994688
"170318"	1610.31744	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+2K-H"	76.91904
"607688"	2377.01664	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+2K-H"	76.91904
"1096577"	843.61824	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2K-H"	76.91904
"152300"	805.662358	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"2M+2K"	77.926316
"595138"	1189.011958	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"3M+2K"	77.926316
"1077469"	422.312758	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2K"	77.926316
"1108489"	845.632792	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2K+H"	78.933592
"1349249"	845.720407	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+DMSO+H"	79.021207
"1017781"	849.759576	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2ACN+H"	83.060376
"1535905"	850.753208	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+IsoProp+Na+H"	84.054008
"1004297"	425.383426	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+2ACN+2H"	84.067652
"1594672"	851.667828	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+K+HCOOH"	84.968628
"1419237"	881.699338	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+H+CF3COOH"	115.000138
"1154994"	445.896701	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+3ACN+2H"	125.094202
"1702358"	898.725885	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+NH4+CF3COOH"	132.026685
"1642384"	903.68128	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+Na+CF3COOH"	136.98208
"1586783"	919.65522	"C17558"	"di-transpoly-cis-Undecaprenol;Undecaprenol"	"C55H90O"	"766.6992"	"M+K+CF3COOH"	152.95602
"807310"	610.1534	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M"	0
"988503"	591.13501	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-H2O-H"	-19.01839
"78128"	405.761657333333	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M-3H"	-3.021828
"517398"	609.146124	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M-3H"	-3.021828
"894715"	202.377190666667	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-3H"	-3.021828
"15403"	609.146124	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M-2H"	-2.014552
"455287"	914.222824	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M-2H"	-2.014552
"832315"	304.069424	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-2H"	-2.014552
"94171"	1219.299524	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M-H"	-1.007276
"533241"	1829.452924	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M-H"	-1.007276
"911258"	609.146124	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-H"	-1.007276
"62848"	1236.326071	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M-2H+NH4"	16.019271
"502712"	1846.479471	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M-2H+NH4"	16.019271
"878530"	626.172671	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-2H+NH4"	16.019271
"45460"	1241.281466	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M-2H+Na"	20.974666
"483320"	1851.434866	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M-2H+Na"	20.974666
"860029"	631.128066	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-2H+Na"	20.974666
"1629561"	631.128066	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Na-2H"	20.974666
"109983"	627.134463	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M-H+Cl"	33.962126
"548213"	932.211163	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M-H+Cl"	33.962126
"939176"	322.057763	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-H+Cl"	33.962126
"281012"	1255.276202	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+Cl"	34.969402
"674162"	1865.429602	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+Cl"	34.969402
"1284742"	645.122802	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Cl"	34.969402
"29123"	1257.255406	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M-2H+K"	36.948606
"471331"	1867.408806	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M-2H+K"	36.948606
"843569"	647.102006	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-2H+K"	36.948606
"1567056"	647.102006	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+K-2H"	36.948606
"956764"	655.151594	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-H+HCOOH"	44.998194
"376073"	1265.305001	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+HCOOH-H"	44.998201
"358865"	1279.320651	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+Hac-H"	59.013851
"1506966"	669.167251	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Hac-H"	59.013851
"973297"	677.133551	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-H+NaCOOH"	66.980151
"123784"	645.122802	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+2Cl"	69.938804
"564071"	950.199502	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+2Cl"	69.938804
"1033961"	340.046102	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2Cl"	69.938804
"1253911"	689.072285	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Br"	78.918885
"1318907"	691.128272	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Cl+HCOOH"	80.974872
"1334948"	713.110229	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Cl+NaCOOH"	102.956829
"923088"	723.138986	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M-H+CF3COOH"	112.985586
"1303582"	759.115664	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Cl+CF3COOH"	148.962264
"1382692"	575.140724	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H-2H2O"	-35.012676
"1395099"	593.1507	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H-H2O"	-17.0027
"297703"	1221.314076	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+H"	1.007276
"690128"	1831.467476	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+H"	1.007276
"1366110"	611.160676	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H"	1.007276
"140093"	611.160676	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+2H"	2.014552
"579286"	916.237376	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+2H"	2.014552
"1051732"	306.083976	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2H"	2.014552
"216353"	407.776209333333	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+3H"	3.021828
"657378"	611.160676	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+3H"	3.021828
"1174408"	204.391742666667	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+3H"	3.021828
"435492"	1238.340623	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+NH4"	18.033823
"796486"	1848.494023	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+NH4"	18.033823
"1691723"	628.187223	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+NH4"	18.033823
"340003"	619.6739495	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+H+NH4"	19.041099
"730236"	924.7506495	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+H+NH4"	19.041099
"1485148"	314.5972495	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H+NH4"	19.041099
"402735"	1243.296018	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+Na"	22.989218
"767013"	1853.449418	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+Na"	22.989218
"1616206"	633.142618	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Na"	22.989218
"328430"	622.151647	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+H+Na"	23.996494
"717571"	927.228347	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+H+Na"	23.996494
"1471393"	317.074947	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H+Na"	23.996494
"1066705"	211.719056666667	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2H+Na"	25.00377
"1269599"	643.186886	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+CH3OH+H"	33.033486
"381611"	1259.269958	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+K"	38.963158
"746983"	1869.423358	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+K"	38.963158
"1545753"	649.116558	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+K"	38.963158
"306213"	630.138617	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+H+K"	39.970434
"700821"	935.215317	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+H+K"	39.970434
"1454644"	325.061917	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H+K"	39.970434
"248715"	1262.340626	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+ACN+H"	42.033826
"1221421"	652.187226	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+ACN+H"	42.033826
"1202026"	326.597251	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+ACN+2H"	43.041102
"194897"	1265.27796	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+2Na-H"	44.97116
"633364"	1875.43136	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+2Na-H"	44.97116
"1134685"	655.12456	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2Na-H"	44.97116
"183443"	633.142618	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+2Na"	45.978436
"620816"	938.219318	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+2Na"	45.978436
"1126508"	328.065918	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2Na"	45.978436
"1406750"	219.046370666667	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H+2Na"	46.985712
"1434492"	657.166146	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H+HCOOH"	47.012746
"223456"	638.17564	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+3H2O+2H"	56.04448
"1511882"	671.21819	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+IsoProp+H"	61.06479
"414126"	641.129588	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+Na+K"	61.952376
"780589"	946.206288	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+Na+K"	61.952376
"1670358"	336.052888	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Na+K"	61.952376
"260159"	1284.322568	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+ACN+Na"	64.015768
"1231776"	674.169168	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+ACN+Na"	64.015768
"1726861"	674.192693	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+NH4+HCOOH"	64.039293
"1190393"	226.373684666667	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+3Na"	68.967654
"1661379"	679.148088	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Na+HCOOH"	68.994688
"170425"	1297.22584	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+2K-H"	76.91904
"609989"	1907.37924	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+2K-H"	76.91904
"1099244"	687.07244	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2K-H"	76.91904
"154600"	649.116558	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"2M+2K"	77.926316
"595252"	954.193258	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"3M+2K"	77.926316
"1079765"	344.039858	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2K"	77.926316
"1111883"	689.086992	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2K+H"	78.933592
"1343892"	689.174607	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+DMSO+H"	79.021207
"1010235"	693.213776	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2ACN+H"	83.060376
"1525808"	694.207408	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+IsoProp+Na+H"	84.054008
"992985"	347.110526	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+2ACN+2H"	84.067652
"1589312"	695.122028	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+K+HCOOH"	84.968628
"1417162"	725.153538	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+H+CF3COOH"	115.000138
"1149637"	367.623801	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+3ACN+2H"	125.094202
"1700286"	742.180085	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+NH4+CF3COOH"	132.026685
"1639218"	747.13548	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+Na+CF3COOH"	136.98208
"1577056"	763.10942	"C17563"	"Multinoside A"	"C27H30O16"	"610.1534"	"M+K+CF3COOH"	152.95602
"809607"	432.1632	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M"	0
"989338"	413.14481	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-H2O-H"	-19.01839
"78449"	287.101524	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M-3H"	-3.021828
"518286"	431.155924	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M-3H"	-3.021828
"895590"	143.047124	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-3H"	-3.021828
"15465"	431.155924	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M-2H"	-2.014552
"452348"	647.237524	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M-2H"	-2.014552
"832422"	215.074324	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-2H"	-2.014552
"94156"	863.319124	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M-H"	-1.007276
"533592"	1295.482324	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M-H"	-1.007276
"911284"	431.155924	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-H"	-1.007276
"62784"	880.345671	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M-2H+NH4"	16.019271
"502674"	1312.508871	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M-2H+NH4"	16.019271
"879124"	448.182471	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-2H+NH4"	16.019271
"46830"	885.301066	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M-2H+Na"	20.974666
"486792"	1317.464266	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M-2H+Na"	20.974666
"864031"	453.137866	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-2H+Na"	20.974666
"1632949"	453.137866	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Na-2H"	20.974666
"106200"	449.144263	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M-H+Cl"	33.962126
"547596"	665.225863	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M-H+Cl"	33.962126
"940749"	233.062663	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-H+Cl"	33.962126
"280034"	899.295802	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+Cl"	34.969402
"672819"	1331.459002	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+Cl"	34.969402
"1286314"	467.132602	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Cl"	34.969402
"29962"	901.275006	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M-2H+K"	36.948606
"471308"	1333.438206	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M-2H+K"	36.948606
"846595"	469.111806	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-2H+K"	36.948606
"1569718"	469.111806	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+K-2H"	36.948606
"958480"	477.161394	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-H+HCOOH"	44.998194
"376185"	909.324601	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+HCOOH-H"	44.998201
"360436"	923.340251	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+Hac-H"	59.013851
"1507076"	491.177051	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Hac-H"	59.013851
"973047"	499.143351	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-H+NaCOOH"	66.980151
"124505"	467.132602	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+2Cl"	69.938804
"564186"	683.214202	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+2Cl"	69.938804
"1035537"	251.051002	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2Cl"	69.938804
"1255478"	511.082085	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Br"	78.918885
"1317924"	513.138072	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Cl+HCOOH"	80.974872
"1333963"	535.120029	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Cl+NaCOOH"	102.956829
"923198"	545.148786	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M-H+CF3COOH"	112.985586
"1303205"	581.125464	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Cl+CF3COOH"	148.962264
"1381362"	397.150524	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H-2H2O"	-35.012676
"1397763"	415.1605	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H-H2O"	-17.0027
"298383"	865.333676	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+H"	1.007276
"688412"	1297.496876	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+H"	1.007276
"1366847"	433.170476	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H"	1.007276
"140202"	433.170476	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+2H"	2.014552
"579033"	649.252076	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+2H"	2.014552
"1050752"	217.088876	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2H"	2.014552
"218288"	289.116076	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+3H"	3.021828
"657849"	433.170476	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+3H"	3.021828
"1175611"	145.061676	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+3H"	3.021828
"437425"	882.360223	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+NH4"	18.033823
"795503"	1314.523423	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+NH4"	18.033823
"1692928"	450.197023	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+NH4"	18.033823
"341207"	441.6837495	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+H+NH4"	19.041099
"737640"	657.7653495	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+H+NH4"	19.041099
"1490000"	225.6021495	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H+NH4"	19.041099
"408239"	887.315618	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+Na"	22.989218
"769190"	1319.478818	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+Na"	22.989218
"1615222"	455.152418	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Na"	22.989218
"328419"	444.161447	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+H+Na"	23.996494
"720841"	660.243047	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+H+Na"	23.996494
"1475756"	228.079847	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H+Na"	23.996494
"1066814"	152.38899	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2H+Na"	25.00377
"1272222"	465.196686	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+CH3OH+H"	33.033486
"387189"	903.289558	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+K"	38.963158
"750376"	1335.452758	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+K"	38.963158
"1552429"	471.126358	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+K"	38.963158
"312885"	452.148417	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+H+K"	39.970434
"704214"	668.230017	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+H+K"	39.970434
"1458033"	236.066817	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H+K"	39.970434
"245543"	906.360226	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+ACN+H"	42.033826
"1221532"	474.197026	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+ACN+H"	42.033826
"1203229"	237.602151	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+ACN+2H"	43.041102
"197194"	909.29756	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+2Na-H"	44.97116
"640034"	1341.46076	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+2Na-H"	44.97116
"1141356"	477.13436	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2Na-H"	44.97116
"183553"	455.152418	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+2Na"	45.978436
"624208"	671.234018	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+2Na"	45.978436
"1128807"	239.070818	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2Na"	45.978436
"1412332"	159.716304	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H+2Na"	46.985712
"1444811"	479.175946	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H+HCOOH"	47.012746
"230859"	460.18544	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+3H2O+2H"	56.04448
"1518923"	493.22799	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+IsoProp+H"	61.06479
"421891"	463.139388	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+Na+K"	61.952376
"780699"	679.220988	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+Na+K"	61.952376
"1678123"	247.057788	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Na+K"	61.952376
"267078"	928.342168	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+ACN+Na"	64.015768
"1238812"	496.178968	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+ACN+Na"	64.015768
"1727824"	496.202493	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+NH4+HCOOH"	64.039293
"1192814"	167.043618	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+3Na"	68.967654
"1662582"	501.157888	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Na+HCOOH"	68.994688
"171628"	941.24544	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+2K-H"	76.91904
"609006"	1373.40864	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+2K-H"	76.91904
"1099598"	509.08224	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2K-H"	76.91904
"155803"	471.126358	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"2M+2K"	77.926316
"595362"	687.207958	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"3M+2K"	77.926316
"1080968"	255.044758	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2K"	77.926316
"1114058"	511.096792	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2K+H"	78.933592
"1347283"	511.184407	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+DMSO+H"	79.021207
"1012534"	515.223576	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2ACN+H"	83.060376
"1530661"	516.217208	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+IsoProp+Na+H"	84.054008
"992734"	258.115426	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+2ACN+2H"	84.067652
"1591610"	517.131828	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+K+HCOOH"	84.968628
"1417270"	547.163338	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+H+CF3COOH"	115.000138
"1149746"	278.628701	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+3ACN+2H"	125.094202
"1702582"	564.189885	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+NH4+CF3COOH"	132.026685
"1642608"	569.14528	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+Na+CF3COOH"	136.98208
"1577166"	585.11922	"C17564"	"Zizybeoside I"	"C19H28O11"	"432.1632"	"M+K+CF3COOH"	152.95602
"807530"	594.216	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M"	0
"987870"	575.19761	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-H2O-H"	-19.01839
"76966"	395.136724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M-3H"	-3.021828
"516891"	593.208724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M-3H"	-3.021828
"894329"	197.064724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-3H"	-3.021828
"13996"	593.208724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M-2H"	-2.014552
"452458"	890.316724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M-2H"	-2.014552
"830990"	296.100724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-2H"	-2.014552
"89159"	1187.424724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M-H"	-1.007276
"525439"	1781.640724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M-H"	-1.007276
"911023"	593.208724	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-H"	-1.007276
"58709"	1204.451271	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M-2H+NH4"	16.019271
"500459"	1798.667271	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M-2H+NH4"	16.019271
"879235"	610.235271	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-2H+NH4"	16.019271
"43976"	1209.406666	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M-2H+Na"	20.974666
"478071"	1803.622666	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M-2H+Na"	20.974666
"855872"	615.190666	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-2H+Na"	20.974666
"1630871"	615.190666	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Na-2H"	20.974666
"104122"	611.197063	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M-H+Cl"	33.962126
"548070"	908.305063	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M-H+Cl"	33.962126
"942479"	314.089063	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-H+Cl"	33.962126
"280871"	1223.401402	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+Cl"	34.969402
"674384"	1817.617402	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+Cl"	34.969402
"1285694"	629.185402	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Cl"	34.969402
"29705"	1225.380606	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M-2H+K"	36.948606
"470724"	1819.596606	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M-2H+K"	36.948606
"843787"	631.164606	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-2H+K"	36.948606
"1566546"	631.164606	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+K-2H"	36.948606
"954795"	639.214194	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-H+HCOOH"	44.998194
"374104"	1233.430201	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+HCOOH-H"	44.998201
"360180"	1247.445851	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+Hac-H"	59.013851
"1503906"	653.229851	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Hac-H"	59.013851
"972184"	661.196151	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-H+NaCOOH"	66.980151
"122543"	629.185402	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+2Cl"	69.938804
"564654"	926.293402	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+2Cl"	69.938804
"1036007"	332.077402	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2Cl"	69.938804
"1254854"	673.134885	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Br"	78.918885
"1317670"	675.190872	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Cl+HCOOH"	80.974872
"1332249"	697.172829	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Cl+NaCOOH"	102.956829
"924037"	707.201586	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M-H+CF3COOH"	112.985586
"1300019"	743.178264	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Cl+CF3COOH"	148.962264
"1382651"	559.203324	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H-2H2O"	-35.012676
"1398239"	577.2133	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H-H2O"	-17.0027
"298288"	1189.439276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+H"	1.007276
"688886"	1783.655276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+H"	1.007276
"1365843"	595.223276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H"	1.007276
"140313"	595.223276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+2H"	2.014552
"579507"	892.331276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+2H"	2.014552
"1048671"	298.115276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2H"	2.014552
"214752"	397.151276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+3H"	3.021828
"657958"	595.223276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+3H"	3.021828
"1174624"	199.079276	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+3H"	3.021828
"437170"	1206.465823	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+NH4"	18.033823
"799255"	1800.681823	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+NH4"	18.033823
"1688662"	612.249823	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+NH4"	18.033823
"332566"	603.7365495	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+H+NH4"	19.041099
"730456"	900.8445495	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+H+NH4"	19.041099
"1483182"	306.6285495	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H+NH4"	19.041099
"405873"	1211.421218	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+Na"	22.989218
"767234"	1805.637218	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+Na"	22.989218
"1616425"	617.205218	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Na"	22.989218
"324275"	606.214247	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+H+Na"	23.996494
"717790"	903.322247	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+H+Na"	23.996494
"1469425"	309.106247	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H+Na"	23.996494
"1064857"	206.40659	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2H+Na"	25.00377
"1269815"	627.249486	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+CH3OH+H"	33.033486
"387302"	1227.395158	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+K"	38.963158
"750483"	1821.611158	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+K"	38.963158
"1552537"	633.179158	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+K"	38.963158
"310807"	614.201217	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+H+K"	39.970434
"703231"	911.309217	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+H+K"	39.970434
"1455957"	317.093217	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H+K"	39.970434
"246747"	1230.465826	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+ACN+H"	42.033826
"1221643"	636.249826	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+ACN+H"	42.033826
"1207712"	318.628551	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+ACN+2H"	43.041102
"200584"	1233.40316	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+2Na-H"	44.97116
"636864"	1827.61916	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+2Na-H"	44.97116
"1134905"	639.18716	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2Na-H"	44.97116
"177101"	617.205218	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+2Na"	45.978436
"623222"	914.313218	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+2Na"	45.978436
"1127820"	320.097218	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2Na"	45.978436
"1408063"	213.733904	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H+2Na"	46.985712
"1436897"	641.228746	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H+HCOOH"	47.012746
"228782"	622.23824	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+3H2O+2H"	56.04448
"1519033"	655.28079	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+IsoProp+H"	61.06479
"422731"	625.192188	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+Na+K"	61.952376
"781903"	922.300188	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+Na+K"	61.952376
"1677140"	328.084188	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Na+K"	61.952376
"266579"	1252.447768	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+ACN+Na"	64.015768
"1239286"	658.231768	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+ACN+Na"	64.015768
"1726351"	658.255293	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+NH4+HCOOH"	64.039293
"1192799"	221.061218	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+3Na"	68.967654
"1663785"	663.210688	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Na+HCOOH"	68.994688
"170644"	1265.35104	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+2K-H"	76.91904
"608023"	1859.56704	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+2K-H"	76.91904
"1098003"	671.13504	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2K-H"	76.91904
"153725"	633.179158	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"2M+2K"	77.926316
"587816"	930.287158	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"3M+2K"	77.926316
"1075608"	336.071158	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2K"	77.926316
"1114289"	673.149592	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2K+H"	78.933592
"1344112"	673.237207	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+DMSO+H"	79.021207
"1012641"	677.276376	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2ACN+H"	83.060376
"1535137"	678.270008	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+IsoProp+Na+H"	84.054008
"997211"	339.141826	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+2ACN+2H"	84.067652
"1589897"	679.184628	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+K+HCOOH"	84.968628
"1415315"	709.216138	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+H+CF3COOH"	115.000138
"1149489"	359.655101	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+3ACN+2H"	125.094202
"1701599"	726.242685	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+NH4+CF3COOH"	132.026685
"1642718"	731.19808	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+Na+CF3COOH"	136.98208
"1578369"	747.17202	"C17565"	"Zizybeoside II"	"C25H38O16"	"594.216"	"M+K+CF3COOH"	152.95602
"806547"	590.5274	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M"	0
"988465"	571.50901	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-H2O-H"	-19.01839
"74890"	392.677657333333	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M-3H"	-3.021828
"516634"	589.520124	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M-3H"	-3.021828
"893708"	195.835190666667	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-3H"	-3.021828
"13375"	589.520124	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M-2H"	-2.014552
"452568"	884.783824	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M-2H"	-2.014552
"825996"	294.256424	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-2H"	-2.014552
"89269"	1180.047524	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M-H"	-1.007276
"525549"	1770.574924	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M-H"	-1.007276
"908819"	589.520124	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-H"	-1.007276
"58819"	1197.074071	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M-2H+NH4"	16.019271
"500694"	1787.601471	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M-2H+NH4"	16.019271
"879103"	606.546671	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-2H+NH4"	16.019271
"44086"	1202.029466	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M-2H+Na"	20.974666
"481462"	1792.556866	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M-2H+Na"	20.974666
"858170"	611.502066	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-2H+Na"	20.974666
"1630982"	611.502066	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Na-2H"	20.974666
"104232"	607.508463	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M-H+Cl"	33.962126
"548545"	902.772163	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M-H+Cl"	33.962126
"942062"	312.244763	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-H+Cl"	33.962126
"279522"	1216.024202	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+Cl"	34.969402
"672308"	1806.551602	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+Cl"	34.969402
"1285803"	625.496802	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Cl"	34.969402
"29087"	1218.003406	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M-2H+K"	36.948606
"467554"	1808.530806	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M-2H+K"	36.948606
"844627"	627.476006	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-2H+K"	36.948606
"1567751"	627.476006	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+K-2H"	36.948606
"955635"	635.525594	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-H+HCOOH"	44.998194
"372027"	1226.053001	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+HCOOH-H"	44.998201
"359197"	1240.068651	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+Hac-H"	59.013851
"1500736"	649.541251	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Hac-H"	59.013851
"973753"	657.507551	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-H+NaCOOH"	66.980151
"122290"	625.496802	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+2Cl"	69.938804
"564402"	920.760502	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+2Cl"	69.938804
"1036121"	330.233102	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2Cl"	69.938804
"1253507"	669.446285	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Br"	78.918885
"1318144"	671.502272	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Cl+HCOOH"	80.974872
"1329443"	693.484229	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Cl+NaCOOH"	102.956829
"924511"	703.512986	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M-H+CF3COOH"	112.985586
"1303781"	739.489664	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Cl+CF3COOH"	148.962264
"1382737"	555.514724	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H-2H2O"	-35.012676
"1397496"	573.5247	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H-H2O"	-17.0027
"297546"	1182.062076	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+H"	1.007276
"690455"	1772.589476	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+H"	1.007276
"1364980"	591.534676	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H"	1.007276
"139691"	591.534676	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+2H"	2.014552
"579252"	886.798376	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+2H"	2.014552
"1046957"	296.270976	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2H"	2.014552
"213769"	394.692209333333	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+3H"	3.021828
"659524"	591.534676	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+3H"	3.021828
"1175828"	197.849742666667	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+3H"	3.021828
"433633"	1199.088623	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+NH4"	18.033823
"794626"	1789.616023	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+NH4"	18.033823
"1685492"	608.561223	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+NH4"	18.033823
"338144"	600.0479495	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+H+NH4"	19.041099
"725099"	895.3116495	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+H+NH4"	19.041099
"1486572"	304.7842495	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H+NH4"	19.041099
"405983"	1204.044018	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+Na"	22.989218
"768437"	1794.571418	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+Na"	22.989218
"1616414"	613.516618	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Na"	22.989218
"325478"	602.525647	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+H+Na"	23.996494
"716806"	897.789347	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+H+Na"	23.996494
"1469535"	307.261947	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H+Na"	23.996494
"1064967"	205.177056666667	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2H+Na"	25.00377
"1267738"	623.560886	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+CH3OH+H"	33.033486
"386319"	1220.017958	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+K"	38.963158
"747313"	1810.545358	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+K"	38.963158
"1551554"	629.490558	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+K"	38.963158
"308731"	610.512617	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+H+K"	39.970434
"702248"	905.776317	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+H+K"	39.970434
"1454973"	315.248917	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H+K"	39.970434
"245764"	1223.088626	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+ACN+H"	42.033826
"1220659"	632.561226	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+ACN+H"	42.033826
"1205635"	316.784251	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+ACN+2H"	43.041102
"199601"	1226.02596	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+2Na-H"	44.97116
"632600"	1816.55336	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+2Na-H"	44.97116
"1132463"	635.49856	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2Na-H"	44.97116
"172859"	613.516618	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+2Na"	45.978436
"617865"	908.780318	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+2Na"	45.978436
"1120276"	318.252918	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2Na"	45.978436
"1402706"	212.504370666667	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H+2Na"	46.985712
"1433727"	637.540146	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H+HCOOH"	47.012746
"224882"	618.54964	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+3H2O+2H"	56.04448
"1513676"	651.59219	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+IsoProp+H"	61.06479
"416643"	621.503588	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+Na+K"	61.952376
"779826"	916.767288	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+Na+K"	61.952376
"1673970"	326.239888	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Na+K"	61.952376
"264136"	1245.070568	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+ACN+Na"	64.015768
"1236480"	654.543168	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+ACN+Na"	64.015768
"1725368"	654.566693	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+NH4+HCOOH"	64.039293
"1191815"	219.831684666667	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+3Na"	68.967654
"1662801"	659.522088	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Na+HCOOH"	68.994688
"168567"	1257.97384	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+2K-H"	76.91904
"608133"	1848.50124	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+2K-H"	76.91904
"1095926"	667.44644	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2K-H"	76.91904
"153835"	629.490558	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"2M+2K"	77.926316
"589019"	924.754258	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"3M+2K"	77.926316
"1073532"	334.226858	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2K"	77.926316
"1113064"	669.460992	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2K+H"	78.933592
"1342033"	669.548607	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+DMSO+H"	79.021207
"1011656"	673.587776	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2ACN+H"	83.060376
"1531967"	674.581408	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+IsoProp+Na+H"	84.054008
"997321"	337.297526	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+2ACN+2H"	84.067652
"1589643"	675.496028	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+K+HCOOH"	84.968628
"1415304"	705.527538	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+H+CF3COOH"	115.000138
"1149233"	357.810801	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+3ACN+2H"	125.094202
"1701709"	722.554085	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+NH4+CF3COOH"	132.026685
"1642828"	727.50948	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+Na+CF3COOH"	136.98208
"1578479"	743.48342	"C17566"	"Coixenolide"	"C38H70O4"	"590.5274"	"M+K+CF3COOH"	152.95602
"806657"	314.1756	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M"	0
"988454"	295.15721	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-H2O-H"	-19.01839
"75000"	208.443124	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M-3H"	-3.021828
"517109"	313.168324	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M-3H"	-3.021828
"893818"	103.717924	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-3H"	-3.021828
"14578"	313.168324	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M-2H"	-2.014552
"451585"	470.256124	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M-2H"	-2.014552
"831211"	156.080524	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-2H"	-2.014552
"93598"	627.343924	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M-H"	-1.007276
"530033"	941.519524	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M-H"	-1.007276
"908929"	313.168324	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-H"	-1.007276
"55649"	644.370471	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M-2H+NH4"	16.019271
"499585"	958.546071	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M-2H+NH4"	16.019271
"877996"	330.194871	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-2H+NH4"	16.019271
"40916"	649.325866	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M-2H+Na"	20.974666
"481572"	963.501466	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M-2H+Na"	20.974666
"856093"	335.150266	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-2H+Na"	20.974666
"1631092"	335.150266	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Na-2H"	20.974666
"98875"	331.156663	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M-H+Cl"	33.962126
"548289"	488.244463	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M-H+Cl"	33.962126
"939618"	174.068863	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-H+Cl"	33.962126
"277808"	663.320602	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+Cl"	34.969402
"672416"	977.496202	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+Cl"	34.969402
"1284820"	349.145002	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Cl"	34.969402
"28831"	665.299806	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M-2H+K"	36.948606
"468393"	979.475406	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M-2H+K"	36.948606
"842914"	351.124206	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-2H+K"	36.948606
"1567131"	351.124206	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+K-2H"	36.948606
"955748"	359.173794	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-H+HCOOH"	44.998194
"372136"	673.349401	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+HCOOH-H"	44.998201
"358215"	687.365051	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+Hac-H"	59.013851
"1505222"	373.189451	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Hac-H"	59.013851
"971674"	381.155751	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-H+NaCOOH"	66.980151
"120577"	349.145002	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+2Cl"	69.938804
"565542"	506.232802	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+2Cl"	69.938804
"1035501"	192.057202	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2Cl"	69.938804
"1254349"	393.094485	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Br"	78.918885
"1317527"	395.150472	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Cl+HCOOH"	80.974872
"1334173"	417.132429	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Cl+NaCOOH"	102.956829
"921341"	427.161186	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M-H+CF3COOH"	112.985586
"1302307"	463.137864	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Cl+CF3COOH"	148.962264
"1382427"	279.162924	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H-2H2O"	-35.012676
"1398244"	297.1729	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H-H2O"	-17.0027
"297778"	629.358476	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+H"	1.007276
"689959"	943.534076	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+H"	1.007276
"1365090"	315.182876	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H"	1.007276
"139322"	315.182876	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+2H"	2.014552
"580456"	472.270676	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+2H"	2.014552
"1047069"	158.095076	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2H"	2.014552
"217158"	210.457676	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+3H"	3.021828
"657815"	315.182876	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+3H"	3.021828
"1174844"	105.732476	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+3H"	3.021828
"439089"	646.385023	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+NH4"	18.033823
"795829"	960.560623	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+NH4"	18.033823
"1689977"	332.209423	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+NH4"	18.033823
"341534"	323.6961495	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+H+NH4"	19.041099
"728489"	480.7839495	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+H+NH4"	19.041099
"1483402"	166.6083495	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H+NH4"	19.041099
"405364"	651.340418	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+Na"	22.989218
"769159"	965.516018	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+Na"	22.989218
"1612272"	337.164818	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Na"	22.989218
"326683"	326.173847	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+H+Na"	23.996494
"720078"	483.261647	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+H+Na"	23.996494
"1475964"	169.086047	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H+Na"	23.996494
"1066171"	113.05979	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2H+Na"	25.00377
"1272102"	347.209086	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+CH3OH+H"	33.033486
"387524"	667.314358	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+K"	38.963158
"749610"	981.489958	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+K"	38.963158
"1552758"	353.138758	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+K"	38.963158
"312123"	334.160817	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+H+K"	39.970434
"704544"	491.248617	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+H+K"	39.970434
"1455083"	177.073017	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H+K"	39.970434
"246968"	670.385026	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+ACN+H"	42.033826
"1220771"	356.209426	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+ACN+H"	42.033826
"1206838"	178.608351	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+ACN+2H"	43.041102
"200804"	673.32236	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+2Na-H"	44.97116
"631618"	987.49796	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+2Na-H"	44.97116
"1138404"	359.14676	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2Na-H"	44.97116
"183153"	337.164818	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+2Na"	45.978436
"621254"	494.252618	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+2Na"	45.978436
"1123666"	180.077018	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2Na"	45.978436
"1402816"	120.387104	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H+2Na"	46.985712
"1433472"	361.188346	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H+HCOOH"	47.012746
"223535"	342.19784	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+3H2O+2H"	56.04448
"1513786"	375.24039	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+IsoProp+H"	61.06479
"418939"	345.151788	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+Na+K"	61.952376
"780663"	502.239588	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+Na+K"	61.952376
"1675538"	188.063988	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Na+K"	61.952376
"264611"	692.366968	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+ACN+Na"	64.015768
"1239507"	378.191368	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+ACN+Na"	64.015768
"1723289"	378.214893	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+NH4+HCOOH"	64.039293
"1190830"	127.714418	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+3Na"	68.967654
"1664491"	383.170288	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Na+HCOOH"	68.994688
"167585"	705.27024	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+2K-H"	76.91904
"608243"	1019.44584	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+2K-H"	76.91904
"1097129"	391.09464	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2K-H"	76.91904
"152852"	353.138758	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"2M+2K"	77.926316
"590223"	510.226558	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"3M+2K"	77.926316
"1076922"	196.050958	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2K"	77.926316
"1113174"	393.109192	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2K+H"	78.933592
"1341051"	393.196807	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+DMSO+H"	79.021207
"1013953"	397.235976	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2ACN+H"	83.060376
"1532077"	398.229608	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+IsoProp+Na+H"	84.054008
"996338"	199.121626	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+2ACN+2H"	84.067652
"1595217"	399.144228	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+K+HCOOH"	84.968628
"1419786"	429.175738	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+H+CF3COOH"	115.000138
"1150801"	219.634901	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+3ACN+2H"	125.094202
"1700726"	446.202285	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+NH4+CF3COOH"	132.026685
"1642938"	451.15768	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+Na+CF3COOH"	136.98208
"1578589"	467.13162	"C17567"	"Lotusine;(-)-Lotusine;D-(-)-Lotusine"	"C19H24NO3"	"314.1756"	"M+K+CF3COOH"	152.95602
"807862"	590.4335	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M"	0
"981394"	571.41511	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-H2O-H"	-19.01839
"71822"	392.615057333333	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M-3H"	-3.021828
"514664"	589.426224	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M-3H"	-3.021828
"894288"	195.803890666667	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-3H"	-3.021828
"13958"	589.426224	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M-2H"	-2.014552
"448416"	884.642974	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M-2H"	-2.014552
"830227"	294.209474	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-2H"	-2.014552
"92768"	1179.859724	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M-H"	-1.007276
"532331"	1770.293224	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M-H"	-1.007276
"906854"	589.426224	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-H"	-1.007276
"61228"	1196.886271	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M-2H+NH4"	16.019271
"500789"	1787.319771	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M-2H+NH4"	16.019271
"876405"	606.452771	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-2H+NH4"	16.019271
"41026"	1201.841666	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M-2H+Na"	20.974666
"483869"	1792.275166	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M-2H+Na"	20.974666
"856204"	611.408166	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-2H+Na"	20.974666
"1632304"	611.408166	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Na-2H"	20.974666
"105550"	607.414563	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M-H+Cl"	33.962126
"547670"	902.631313	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M-H+Cl"	33.962126
"941797"	312.197813	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-H+Cl"	33.962126
"280470"	1215.836402	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+Cl"	34.969402
"673254"	1806.269902	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+Cl"	34.969402
"1284564"	625.402902	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Cl"	34.969402
"20195"	1217.815606	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M-2H+K"	36.948606
"467046"	1808.249106	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M-2H+K"	36.948606
"843024"	627.382106	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-2H+K"	36.948606
"1568699"	627.382106	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+K-2H"	36.948606
"955856"	635.431694	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-H+HCOOH"	44.998194
"373709"	1225.865201	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+HCOOH-H"	44.998201
"354309"	1239.880851	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+Hac-H"	59.013851
"1505702"	649.447351	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Hac-H"	59.013851
"971418"	657.413651	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-H+NaCOOH"	66.980151
"122144"	625.402902	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+2Cl"	69.938804
"560248"	920.619652	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+2Cl"	69.938804
"1034151"	330.186152	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2Cl"	69.938804
"1252272"	669.352385	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Br"	78.918885
"1316907"	671.408372	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Cl+HCOOH"	80.974872
"1335359"	693.390329	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Cl+NaCOOH"	102.956829
"926683"	703.419086	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M-H+CF3COOH"	112.985586
"1303934"	739.395764	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Cl+CF3COOH"	148.962264
"1382533"	555.420824	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H-2H2O"	-35.012676
"1398325"	573.4308	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H-H2O"	-17.0027
"298302"	1181.874276	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+H"	1.007276
"689215"	1772.307776	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+H"	1.007276
"1365564"	591.440776	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H"	1.007276
"140519"	591.440776	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+2H"	2.014552
"579474"	886.657526	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+2H"	2.014552
"1049368"	296.224026	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2H"	2.014552
"217999"	394.629609333333	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+3H"	3.021828
"659833"	591.440776	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+3H"	3.021828
"1178426"	197.818442666667	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+3H"	3.021828
"439855"	1198.900823	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+NH4"	18.033823
"792661"	1789.334323	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+NH4"	18.033823
"1686805"	608.467323	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+NH4"	18.033823
"342738"	599.9540495	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+H+NH4"	19.041099
"736985"	895.1707995	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+H+NH4"	19.041099
"1491537"	304.7372995	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H+NH4"	19.041099
"408233"	1203.856218	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+Na"	22.989218
"769767"	1794.289718	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+Na"	22.989218
"1617730"	613.422718	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Na"	22.989218
"323516"	602.431747	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+H+Na"	23.996494
"718124"	897.648497	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+H+Na"	23.996494
"1475224"	307.214997	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H+Na"	23.996494
"1063006"	205.145756666667	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2H+Na"	25.00377
"1266873"	623.466986	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+CH3OH+H"	33.033486
"387634"	1219.830158	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+K"	38.963158
"744256"	1810.263658	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+K"	38.963158
"1546309"	629.396658	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+K"	38.963158
"306766"	610.418717	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+H+K"	39.970434
"704655"	905.635467	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+H+K"	39.970434
"1456286"	315.201967	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H+K"	39.970434
"244892"	1222.900826	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+ACN+H"	42.033826
"1215415"	632.467326	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+ACN+H"	42.033826
"1196381"	316.737301	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+ACN+2H"	43.041102
"189613"	1225.83816	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+2Na-H"	44.97116
"638287"	1816.27166	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+2Na-H"	44.97116
"1135598"	635.40466	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2Na-H"	44.97116
"185083"	613.422718	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+2Na"	45.978436
"615168"	908.639468	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+2Na"	45.978436
"1120495"	318.205968	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2Na"	45.978436
"1402927"	212.473070666667	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H+2Na"	46.985712
"1434315"	637.446246	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H+HCOOH"	47.012746
"221094"	618.45574	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+3H2O+2H"	56.04448
"1510981"	651.49829	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+IsoProp+H"	61.06479
"419418"	621.409688	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+Na+K"	61.952376
"778954"	916.626438	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+Na+K"	61.952376
"1676744"	326.192938	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Na+K"	61.952376
"261077"	1244.882768	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+ACN+Na"	64.015768
"1235973"	654.449268	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+ACN+Na"	64.015768
"1726682"	654.472793	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+NH4+HCOOH"	64.039293
"1192401"	219.800384666667	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+3Na"	68.967654
"1658649"	659.428188	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Na+HCOOH"	68.994688
"172443"	1257.78604	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+2K-H"	76.91904
"612203"	1848.21954	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+2K-H"	76.91904
"1096145"	667.35254	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2K-H"	76.91904
"151869"	629.396658	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"2M+2K"	77.926316
"590335"	924.613408	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"3M+2K"	77.926316
"1080318"	334.179908	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2K"	77.926316
"1109152"	669.367092	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2K+H"	78.933592
"1341163"	669.454707	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+DMSO+H"	79.021207
"1010785"	673.493876	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2ACN+H"	83.060376
"1530006"	674.487508	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+IsoProp+Na+H"	84.054008
"995359"	337.250576	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+2ACN+2H"	84.067652
"1590955"	675.402128	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+K+HCOOH"	84.968628
"1417707"	705.433638	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+H+CF3COOH"	115.000138
"1151277"	357.763851	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+3ACN+2H"	125.094202
"1698645"	722.460185	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+NH4+CF3COOH"	132.026685
"1643048"	727.41558	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+Na+CF3COOH"	136.98208
"1577606"	743.38952	"C17568"	"Ubiquinone-6;Coenzyme Q6"	"C39H58O4"	"590.4335"	"M+K+CF3COOH"	152.95602
"815261"	726.5587	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M"	0
"977131"	707.54031	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-H2O-H"	-19.01839
"66467"	483.365190666667	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M-3H"	-3.021828
"514774"	725.551424	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M-3H"	-3.021828
"888202"	241.178957333333	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-3H"	-3.021828
"10060"	725.551424	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M-2H"	-2.014552
"449620"	1088.830774	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M-2H"	-2.014552
"826328"	362.272074	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-2H"	-2.014552
"89600"	1452.110124	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M-H"	-1.007276
"531955"	2178.668824	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M-H"	-1.007276
"900037"	725.551424	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-H"	-1.007276
"49313"	1469.136671	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M-2H+NH4"	16.019271
"488875"	2195.695371	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M-2H+NH4"	16.019271
"866677"	742.577971	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-2H+NH4"	16.019271
"37858"	1474.092066	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M-2H+Na"	20.974666
"480700"	2200.650766	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M-2H+Na"	20.974666
"857407"	747.533366	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-2H+Na"	20.974666
"1631321"	747.533366	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Na-2H"	20.974666
"103474"	743.539763	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M-H+Cl"	33.962126
"548508"	1106.819113	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M-H+Cl"	33.962126
"941295"	380.260413	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-H+Cl"	33.962126
"280579"	1488.086802	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+Cl"	34.969402
"670811"	2214.645502	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+Cl"	34.969402
"1283217"	761.528102	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Cl"	34.969402
"29419"	1490.066006	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M-2H+K"	36.948606
"469343"	2216.624706	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M-2H+K"	36.948606
"846416"	763.507306	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-2H+K"	36.948606
"1568449"	763.507306	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+K-2H"	36.948606
"953414"	771.556894	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-H+HCOOH"	44.998194
"372726"	1498.115601	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+HCOOH-H"	44.998201
"355512"	1512.131251	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+Hac-H"	59.013851
"1505079"	785.572551	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Hac-H"	59.013851
"970794"	793.538851	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-H+NaCOOH"	66.980151
"118977"	761.528102	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+2Cl"	69.938804
"559261"	1124.807452	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+2Cl"	69.938804
"1032803"	398.248752	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2Cl"	69.938804
"1255666"	805.477585	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Br"	78.918885
"1318845"	807.533572	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Cl+HCOOH"	80.974872
"1335050"	829.515529	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Cl+NaCOOH"	102.956829
"926307"	839.544286	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M-H+CF3COOH"	112.985586
"1303869"	875.520964	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Cl+CF3COOH"	148.962264
"1382154"	691.546024	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H-2H2O"	-35.012676
"1397705"	709.556	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H-H2O"	-17.0027
"297754"	1454.124676	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+H"	1.007276
"686408"	2180.683376	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+H"	1.007276
"1359477"	727.565976	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H"	1.007276
"137469"	727.565976	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+2H"	2.014552
"570831"	1090.845326	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+2H"	2.014552
"1047290"	364.286626	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2H"	2.014552
"216285"	485.379742666667	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+3H"	3.021828
"655845"	727.565976	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+3H"	3.021828
"1176523"	243.193509333333	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+3H"	3.021828
"431777"	1471.151223	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+NH4"	18.033823
"790583"	2197.709923	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+NH4"	18.033823
"1688007"	744.592523	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+NH4"	18.033823
"335193"	736.0792495	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+H+NH4"	19.041099
"728708"	1099.3585995	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+H+NH4"	19.041099
"1489095"	372.7998995	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H+NH4"	19.041099
"407774"	1476.106618	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+Na"	22.989218
"768771"	2202.665318	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+Na"	22.989218
"1611403"	749.547918	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Na"	22.989218
"320346"	738.556947	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+H+Na"	23.996494
"713130"	1101.836297	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+H+Na"	23.996494
"1469868"	375.277597	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H+Na"	23.996494
"1062020"	250.520823333333	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2H+Na"	25.00377
"1259690"	759.592186	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+CH3OH+H"	33.033486
"381547"	1492.080558	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+K"	38.963158
"742180"	2218.639258	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+K"	38.963158
"1544229"	765.521858	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+K"	38.963158
"304686"	746.543917	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+H+K"	39.970434
"697111"	1109.823267	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+H+K"	39.970434
"1454210"	383.264567	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H+K"	39.970434
"237348"	1495.151226	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+ACN+H"	42.033826
"1210087"	768.592526	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+ACN+H"	42.033826
"1194271"	384.799901	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+ACN+2H"	43.041102
"189969"	1498.08856	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+2Na-H"	44.97116
"629197"	2224.64726	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+2Na-H"	44.97116
"1132058"	771.52986	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2Na-H"	44.97116
"173286"	749.547918	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+2Na"	45.978436
"613210"	1112.827268	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+2Na"	45.978436
"1117324"	386.268568	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2Na"	45.978436
"1401944"	257.848137333333	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H+2Na"	46.985712
"1434425"	773.571446	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H+HCOOH"	47.012746
"228133"	754.58094	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+3H2O+2H"	56.04448
"1520570"	787.62349	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+IsoProp+H"	61.06479
"419165"	757.534888	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+Na+K"	61.952376
"782712"	1120.814238	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+Na+K"	61.952376
"1676854"	394.255538	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Na+K"	61.952376
"261551"	1517.133168	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+ACN+Na"	64.015768
"1234626"	790.574468	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+ACN+Na"	64.015768
"1727035"	790.597993	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+NH4+HCOOH"	64.039293
"1191781"	265.175451333333	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+3Na"	68.967654
"1659851"	795.553388	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Na+HCOOH"	68.994688
"172555"	1530.03644	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+2K-H"	76.91904
"612113"	2256.59514	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+2K-H"	76.91904
"1095164"	803.47774	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2K-H"	76.91904
"150887"	765.521858	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"2M+2K"	77.926316
"588262"	1128.801208	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"3M+2K"	77.926316
"1078242"	402.242508	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2K"	77.926316
"1104889"	805.492292	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2K+H"	78.933592
"1341274"	805.579907	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+DMSO+H"	79.021207
"1011990"	809.619076	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2ACN+H"	83.060376
"1526836"	810.612708	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+IsoProp+Na+H"	84.054008
"995471"	405.313176	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+2ACN+2H"	84.067652
"1588515"	811.527328	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+K+HCOOH"	84.968628
"1417088"	841.558838	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+H+CF3COOH"	115.000138
"1148473"	425.826451	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+3ACN+2H"	125.094202
"1698759"	858.585385	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+NH4+CF3COOH"	132.026685
"1636596"	863.54078	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+Na+CF3COOH"	136.98208
"1577716"	879.51472	"C17569"	"Ubiquinone-8;Coenzyme Q8"	"C49H74O4"	"726.5587"	"M+K+CF3COOH"	152.95602
"806987"	736.6158	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M"	0
"989149"	717.59741	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-H2O-H"	-19.01839
"69858"	490.069924	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M-3H"	-3.021828
"514885"	735.608524	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M-3H"	-3.021828
"889406"	244.531324	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-3H"	-3.021828
"10172"	735.608524	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M-2H"	-2.014552
"453011"	1103.916424	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M-2H"	-2.014552
"829355"	367.300624	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-2H"	-2.014552
"93438"	1472.224324	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M-H"	-1.007276
"532065"	2208.840124	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M-H"	-1.007276
"900515"	735.608524	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-H"	-1.007276
"51610"	1489.250871	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M-2H+NH4"	16.019271
"494453"	2225.866671	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M-2H+NH4"	16.019271
"875535"	752.635071	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-2H+NH4"	16.019271
"37968"	1494.206266	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M-2H+Na"	20.974666
"481905"	2230.822066	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M-2H+Na"	20.974666
"857517"	757.590466	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-2H+Na"	20.974666
"1627057"	757.590466	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Na-2H"	20.974666
"103584"	753.596863	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M-H+Cl"	33.962126
"549514"	1121.904763	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M-H+Cl"	33.962126
"941769"	385.288963	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-H+Cl"	33.962126
"282638"	1508.201002	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+Cl"	34.969402
"669828"	2244.816802	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+Cl"	34.969402
"1282234"	771.585202	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Cl"	34.969402
"28800"	1510.180206	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M-2H+K"	36.948606
"464353"	2246.796006	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M-2H+K"	36.948606
"842154"	773.564406	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-2H+K"	36.948606
"1566736"	773.564406	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+K-2H"	36.948606
"949152"	781.613994	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-H+HCOOH"	44.998194
"369555"	1518.229801	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+HCOOH-H"	44.998201
"352345"	1532.245451	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+Hac-H"	59.013851
"1504458"	795.629651	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Hac-H"	59.013851
"968718"	803.595951	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-H+NaCOOH"	66.980151
"120905"	771.585202	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+2Cl"	69.938804
"561928"	1139.893102	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+2Cl"	69.938804
"1034739"	403.277302	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2Cl"	69.938804
"1256265"	815.534685	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Br"	78.918885
"1317861"	817.590672	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Cl+HCOOH"	80.974872
"1334268"	839.572629	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Cl+NaCOOH"	102.956829
"925687"	849.601386	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M-H+CF3COOH"	112.985586
"1301668"	885.578064	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Cl+CF3COOH"	148.962264
"1381779"	701.603124	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H-2H2O"	-35.012676
"1395139"	719.6131	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H-H2O"	-17.0027
"297013"	1474.238876	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+H"	1.007276
"688706"	2210.854676	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+H"	1.007276
"1359587"	737.623076	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H"	1.007276
"138673"	737.623076	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+2H"	2.014552
"575317"	1105.930976	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+2H"	2.014552
"1045214"	369.315176	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2H"	2.014552
"209105"	492.084476	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+3H"	3.021828
"646479"	737.623076	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+3H"	3.021828
"1169706"	246.545876	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+3H"	3.021828
"430793"	1491.265423	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+NH4"	18.033823
"787778"	2227.881223	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+NH4"	18.033823
"1687024"	754.649623	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+NH4"	18.033823
"335303"	746.1363495	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+H+NH4"	19.041099
"728818"	1114.4442495	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+H+NH4"	19.041099
"1489206"	377.8284495	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H+NH4"	19.041099
"403510"	1496.220818	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+Na"	22.989218
"769368"	2232.836618	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+Na"	22.989218
"1614794"	759.605018	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Na"	22.989218
"320457"	748.614047	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+H+Na"	23.996494
"711784"	1116.921947	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+H+Na"	23.996494
"1465240"	380.306147	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H+Na"	23.996494
"1065410"	253.87319	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2H+Na"	25.00377
"1260166"	769.649286	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+CH3OH+H"	33.033486
"379469"	1512.194758	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+K"	38.963158
"742654"	2248.810558	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+K"	38.963158
"1544341"	775.578958	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+K"	38.963158
"304800"	756.601017	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+H+K"	39.970434
"702689"	1124.908917	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+H+K"	39.970434
"1457602"	388.293117	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H+K"	39.970434
"239645"	1515.265426	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+ACN+H"	42.033826
"1211625"	778.649626	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+ACN+H"	42.033826
"1198789"	389.828451	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+ACN+2H"	43.041102
"190931"	1518.20276	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+2Na-H"	44.97116
"628909"	2254.81856	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+2Na-H"	44.97116
"1133022"	781.58696	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2Na-H"	44.97116
"175219"	759.605018	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+2Na"	45.978436
"613929"	1127.912918	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+2Na"	45.978436
"1115852"	391.297118	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2Na"	45.978436
"1401324"	261.200504	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H+2Na"	46.985712
"1434899"	783.628546	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H+HCOOH"	47.012746
"232983"	764.63804	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+3H2O+2H"	56.04448
"1519586"	797.68059	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+IsoProp+H"	61.06479
"423164"	767.591988	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+Na+K"	61.952376
"785136"	1135.899888	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+Na+K"	61.952376
"1677695"	399.284088	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Na+K"	61.952376
"258746"	1537.247368	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+ACN+Na"	64.015768
"1239477"	800.631568	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+ACN+Na"	64.015768
"1722164"	800.655093	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+NH4+HCOOH"	64.039293
"1191892"	268.527818	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+3Na"	68.967654
"1657775"	805.610488	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Na+HCOOH"	68.994688
"171200"	1550.15064	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+2K-H"	76.91904
"609667"	2286.76644	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+2K-H"	76.91904
"1096368"	813.53484	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2K-H"	76.91904
"150996"	775.578958	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"2M+2K"	77.926316
"589465"	1143.886858	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"3M+2K"	77.926316
"1077259"	407.271058	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2K"	77.926316
"1105002"	815.549392	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2K+H"	78.933592
"1342478"	815.637007	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+DMSO+H"	79.021207
"1012100"	819.676176	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2ACN+H"	83.060376
"1525854"	820.669808	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+IsoProp+Na+H"	84.054008
"994488"	410.341726	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+2ACN+2H"	84.067652
"1588260"	821.584428	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+K+HCOOH"	84.968628
"1415379"	851.615938	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+H+CF3COOH"	115.000138
"1148947"	430.855001	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+3ACN+2H"	125.094202
"1699962"	868.642485	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+NH4+CF3COOH"	132.026685
"1636706"	873.59788	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+Na+CF3COOH"	136.98208
"1577826"	889.57182	"C17570"	"2-Methyl-6-solanyl-14-benzoquinol;2-Methyl-6-nonaprenyl-benzene-14-diol;2-Methyl-6-all-trans-nonaprenylbenzene-14-diol;2-Methyl-6-solanesylbenzene-14-diol;MSBQ"	"C52H80O2"	"736.6158"	"M+K+CF3COOH"	152.95602
"807097"	597.2606	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M"	0
"989016"	578.24221	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-H2O-H"	-19.01839
"77259"	397.166457333333	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M-3H"	-3.021828
"516455"	596.253324	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M-3H"	-3.021828
"887328"	198.079590666667	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-3H"	-3.021828
"13925"	596.253324	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M-2H"	-2.014552
"449839"	894.883624	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M-2H"	-2.014552
"824360"	297.623024	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-2H"	-2.014552
"92007"	1193.513924	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M-H"	-1.007276
"529380"	1790.774524	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M-H"	-1.007276
"906094"	596.253324	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-H"	-1.007276
"57187"	1210.540471	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M-2H+NH4"	16.019271
"492376"	1807.801071	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M-2H+NH4"	16.019271
"874917"	613.279871	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-2H+NH4"	16.019271
"41358"	1215.495866	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M-2H+Na"	20.974666
"478731"	1812.756466	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M-2H+Na"	20.974666
"860908"	618.235266	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-2H+Na"	20.974666
"1627167"	618.235266	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Na-2H"	20.974666
"100415"	614.241663	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M-H+Cl"	33.962126
"549459"	912.871963	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M-H+Cl"	33.962126
"941637"	315.611363	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-H+Cl"	33.962126
"282764"	1229.490602	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+Cl"	34.969402
"669210"	1826.751202	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+Cl"	34.969402
"1284533"	632.230002	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Cl"	34.969402
"30004"	1231.469806	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M-2H+K"	36.948606
"466651"	1828.730406	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M-2H+K"	36.948606
"842265"	634.209206	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-2H+K"	36.948606
"1565753"	634.209206	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+K-2H"	36.948606
"948170"	642.258794	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-H+HCOOH"	44.998194
"366385"	1239.519401	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+HCOOH-H"	44.998201
"353549"	1253.535051	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+Hac-H"	59.013851
"1505661"	656.274451	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Hac-H"	59.013851
"968828"	664.240751	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-H+NaCOOH"	66.980151
"119922"	632.230002	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+2Cl"	69.938804
"562402"	930.860302	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+2Cl"	69.938804
"1033024"	333.599702	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2Cl"	69.938804
"1254794"	676.179485	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Br"	78.918885
"1317607"	678.235472	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Cl+HCOOH"	80.974872
"1333649"	700.217429	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Cl+NaCOOH"	102.956829
"925429"	710.246186	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M-H+CF3COOH"	112.985586
"1302874"	746.222864	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Cl+CF3COOH"	148.962264
"1381765"	562.247924	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H-2H2O"	-35.012676
"1396707"	580.2579	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H-H2O"	-17.0027
"297854"	1195.528476	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+H"	1.007276
"685535"	1792.789076	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+H"	1.007276
"1362613"	598.267876	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H"	1.007276
"137689"	598.267876	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+2H"	2.014552
"576522"	896.898176	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+2H"	2.014552
"1047872"	299.637576	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2H"	2.014552
"212131"	399.181009333333	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+3H"	3.021828
"653878"	598.267876	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+3H"	3.021828
"1173097"	200.094142666667	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+3H"	3.021828
"430902"	1212.555023	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+NH4"	18.033823
"787888"	1809.815623	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+NH4"	18.033823
"1689321"	615.294423	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+NH4"	18.033823
"335413"	606.7811495	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+H+NH4"	19.041099
"728928"	905.4114495	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+H+NH4"	19.041099
"1489316"	308.1508495	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H+NH4"	19.041099
"404715"	1217.510418	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+Na"	22.989218
"768386"	1814.771018	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+Na"	22.989218
"1611624"	620.249818	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Na"	22.989218
"316191"	609.258847	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+H+Na"	23.996494
"710802"	907.889147	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+H+Na"	23.996494
"1464985"	310.628547	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H+Na"	23.996494
"1063334"	207.421456666667	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2H+Na"	25.00377
"1259183"	630.294086	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+CH3OH+H"	33.033486
"379215"	1233.484358	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+K"	38.963158
"742400"	1830.744958	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+K"	38.963158
"1543358"	636.223758	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+K"	38.963158
"303817"	617.245817	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+H+K"	39.970434
"701706"	915.876117	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+H+K"	39.970434
"1455525"	318.615517	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H+K"	39.970434
"243036"	1236.555026	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+ACN+H"	42.033826
"1209989"	639.294426	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+ACN+H"	42.033826
"1195130"	320.150851	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+ACN+2H"	43.041102
"188807"	1239.49236	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+2Na-H"	44.97116
"628684"	1836.75296	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+2Na-H"	44.97116
"1131372"	642.23176	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2Na-H"	44.97116
"175208"	620.249818	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+2Na"	45.978436
"614768"	918.880118	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+2Na"	45.978436
"1115810"	321.619518	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2Na"	45.978436
"1400339"	214.748770666667	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H+2Na"	46.985712
"1434645"	644.273346	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H+HCOOH"	47.012746
"233458"	625.28284	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+3H2O+2H"	56.04448
"1519696"	658.32539	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+IsoProp+H"	61.06479
"423274"	628.236788	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+Na+K"	61.952376
"785124"	926.867088	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+Na+K"	61.952376
"1676711"	329.606488	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Na+K"	61.952376
"261771"	1258.536968	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+ACN+Na"	64.015768
"1234845"	661.276368	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+ACN+Na"	64.015768
"1721544"	661.299893	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+NH4+HCOOH"	64.039293
"1187992"	222.076084666667	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+3Na"	68.967654
"1656792"	666.255288	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Na+HCOOH"	68.994688
"171310"	1271.44024	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+2K-H"	76.91904
"605403"	1868.70084	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+2K-H"	76.91904
"1091011"	674.17964	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2K-H"	76.91904
"150013"	636.223758	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"2M+2K"	77.926316
"587388"	934.854058	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"3M+2K"	77.926316
"1074088"	337.593458	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2K"	77.926316
"1105112"	676.194192	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2K+H"	78.933592
"1340401"	676.281807	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+DMSO+H"	79.021207
"1007836"	680.320976	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2ACN+H"	83.060376
"1524626"	681.314608	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+IsoProp+Na+H"	84.054008
"991318"	340.664126	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+2ACN+2H"	84.067652
"1590193"	682.229228	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+K+HCOOH"	84.968628
"1415853"	712.260738	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+H+CF3COOH"	115.000138
"1148329"	361.177401	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+3ACN+2H"	125.094202
"1698979"	729.287285	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+NH4+CF3COOH"	132.026685
"1637909"	734.24268	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+Na+CF3COOH"	136.98208
"1577936"	750.21662	"C17571"	"5-Hydroxystreptomycin"	"C21H39N7O13"	"597.2606"	"M+K+CF3COOH"	152.95602
"808300"	344.0733	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M"	0
"989612"	325.05491	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-H2O-H"	-19.01839
"77005"	228.374924	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M-3H"	-3.021828
"517292"	343.066024	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M-3H"	-3.021828
"892912"	113.683824	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-3H"	-3.021828
"13671"	343.066024	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M-2H"	-2.014552
"453960"	515.102674	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M-2H"	-2.014552
"825559"	171.029374	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-2H"	-2.014552
"87739"	687.139324	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M-H"	-1.007276
"527303"	1031.212624	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M-H"	-1.007276
"908389"	343.066024	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-H"	-1.007276
"60580"	704.165871	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M-2H+NH4"	16.019271
"501718"	1048.239171	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M-2H+NH4"	16.019271
"877938"	360.092571	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-2H+NH4"	16.019271
"35998"	709.121266	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M-2H+Na"	20.974666
"478840"	1053.194566	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M-2H+Na"	20.974666
"862840"	365.047966	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-2H+Na"	20.974666
"1623991"	365.047966	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Na-2H"	20.974666
"101618"	361.054363	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M-H+Cl"	33.962126
"548477"	533.091013	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M-H+Cl"	33.962126
"942322"	189.017713	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-H+Cl"	33.962126
"282334"	723.116002	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+Cl"	34.969402
"674307"	1067.189302	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+Cl"	34.969402
"1283913"	379.042702	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Cl"	34.969402
"29385"	725.095206	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M-2H+K"	36.948606
"468217"	1069.168506	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M-2H+K"	36.948606
"843468"	381.021906	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-2H+K"	36.948606
"1562583"	381.021906	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+K-2H"	36.948606
"948280"	389.071494	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-H+HCOOH"	44.998194
"369775"	733.144801	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+HCOOH-H"	44.998201
"358762"	747.160451	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+Hac-H"	59.013851
"1504678"	403.087151	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Hac-H"	59.013851
"968938"	411.053451	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-H+NaCOOH"	66.980151
"118939"	379.042702	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+2Cl"	69.938804
"560688"	551.079352	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+2Cl"	69.938804
"1034959"	207.006052	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2Cl"	69.938804
"1251990"	422.992185	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Br"	78.918885
"1316261"	425.048172	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Cl+HCOOH"	80.974872
"1333028"	447.030129	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Cl+NaCOOH"	102.956829
"925175"	457.058886	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M-H+CF3COOH"	112.985586
"1301891"	493.035564	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Cl+CF3COOH"	148.962264
"1379687"	309.060624	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H-2H2O"	-35.012676
"1394629"	327.0706	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H-H2O"	-17.0027
"298086"	689.153876	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+H"	1.007276
"688925"	1033.227176	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+H"	1.007276
"1365639"	345.080576	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H"	1.007276
"138165"	345.080576	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+2H"	2.014552
"579549"	517.117226	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+2H"	2.014552
"1049805"	173.043926	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2H"	2.014552
"215520"	230.389476	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+3H"	3.021828
"655081"	345.080576	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+3H"	3.021828
"1174300"	115.698376	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+3H"	3.021828
"431012"	706.180423	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+NH4"	18.033823
"793103"	1050.253723	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+NH4"	18.033823
"1688337"	362.107123	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+NH4"	18.033823
"337709"	353.5938495	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+H+NH4"	19.041099
"729038"	525.6304995	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+H+NH4"	19.041099
"1490155"	181.5571995	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H+NH4"	19.041099
"404823"	711.135818	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+Na"	22.989218
"767887"	1055.209118	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+Na"	22.989218
"1615744"	367.062518	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Na"	22.989218
"317760"	356.071547	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+H+Na"	23.996494
"714192"	528.108197	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+H+Na"	23.996494
"1466919"	184.034897	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H+Na"	23.996494
"1060164"	123.02569	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2H+Na"	25.00377
"1260021"	377.106786	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+CH3OH+H"	33.033486
"381513"	727.109758	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+K"	38.963158
"742508"	1071.183058	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+K"	38.963158
"1545655"	383.036458	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+K"	38.963158
"305020"	364.058517	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+H+K"	39.970434
"698535"	536.095167	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+H+K"	39.970434
"1454541"	192.021867	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H+K"	39.970434
"244240"	730.180426	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+ACN+H"	42.033826
"1212574"	386.107126	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+ACN+H"	42.033826
"1194428"	193.557201	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+ACN+2H"	43.041102
"189081"	733.11776	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+2Na-H"	44.97116
"628637"	1077.19106	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+2Na-H"	44.97116
"1132067"	389.04446	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2Na-H"	44.97116
"174955"	367.062518	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+2Na"	45.978436
"614513"	539.099168	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+2Na"	45.978436
"1116561"	195.025868	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2Na"	45.978436
"1400086"	130.353004	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H+2Na"	46.985712
"1434755"	391.086046	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H+HCOOH"	47.012746
"232839"	372.09554	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+3H2O+2H"	56.04448
"1519806"	405.13809	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+IsoProp+H"	61.06479
"423021"	375.049488	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+Na+K"	61.952376
"784870"	547.086138	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+Na+K"	61.952376
"1676821"	203.012838	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Na+K"	61.952376
"261152"	752.162368	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+ACN+Na"	64.015768
"1233862"	408.089068	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+ACN+Na"	64.015768
"1721655"	408.112593	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+NH4+HCOOH"	64.039293
"1185916"	137.680318	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+3Na"	68.967654
"1657995"	413.067988	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Na+HCOOH"	68.994688
"170327"	765.06564	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+2K-H"	76.91904
"608793"	1109.13894	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+2K-H"	76.91904
"1097679"	420.99234	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2K-H"	76.91904
"151215"	383.036458	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"2M+2K"	77.926316
"587498"	555.073108	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"3M+2K"	77.926316
"1074198"	210.999808	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2K"	77.926316
"1101942"	423.006892	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2K+H"	78.933592
"1341605"	423.094507	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+DMSO+H"	79.021207
"1012319"	427.133676	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2ACN+H"	83.060376
"1526074"	428.127308	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+IsoProp+Na+H"	84.054008
"991428"	214.070476	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+2ACN+2H"	84.067652
"1588481"	429.041928	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+K+HCOOH"	84.968628
"1414624"	459.073438	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+H+CF3COOH"	115.000138
"1148438"	234.583751	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+3ACN+2H"	125.094202
"1701275"	476.099985	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+NH4+CF3COOH"	132.026685
"1636926"	481.05538	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+Na+CF3COOH"	136.98208
"1579139"	497.02932	"C17572"	"Bluensidine 6-phosphate"	"C8H17N4O9P"	"344.0733"	"M+K+CF3COOH"	152.95602
"808410"	585.2494	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M"	0
"989235"	566.23101	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-H2O-H"	-19.01839
"78011"	389.158990666667	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M-3H"	-3.021828
"517889"	584.242124	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M-3H"	-3.021828
"894239"	194.075857333333	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-3H"	-3.021828
"14875"	584.242124	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M-2H"	-2.014552
"453340"	876.866824	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M-2H"	-2.014552
"825669"	291.617424	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-2H"	-2.014552
"84569"	1169.491524	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M-H"	-1.007276
"527413"	1754.740924	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M-H"	-1.007276
"909470"	584.242124	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-H"	-1.007276
"61297"	1186.518071	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M-2H+NH4"	16.019271
"502555"	1771.767471	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M-2H+NH4"	16.019271
"877927"	601.268671	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-2H+NH4"	16.019271
"36108"	1191.473466	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M-2H+Na"	20.974666
"478950"	1776.722866	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M-2H+Na"	20.974666
"862221"	606.224066	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-2H+Na"	20.974666
"1626287"	606.224066	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Na-2H"	20.974666
"106101"	602.230463	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M-H+Cl"	33.962126
"546396"	894.855163	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M-H+Cl"	33.962126
"942227"	309.605763	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-H+Cl"	33.962126
"281748"	1205.468202	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+Cl"	34.969402
"669432"	1790.717602	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+Cl"	34.969402
"1283294"	620.218802	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Cl"	34.969402
"26579"	1207.447406	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M-2H+K"	36.948606
"462496"	1792.696806	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M-2H+K"	36.948606
"841389"	622.198006	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-2H+K"	36.948606
"1568160"	622.198006	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+K-2H"	36.948606
"952764"	630.247594	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-H+HCOOH"	44.998194
"369885"	1215.497001	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+HCOOH-H"	44.998201
"357414"	1229.512651	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+Hac-H"	59.013851
"1505153"	644.263251	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Hac-H"	59.013851
"973060"	652.229551	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-H+NaCOOH"	66.980151
"123425"	620.218802	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+2Cl"	69.938804
"564446"	912.843502	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+2Cl"	69.938804
"1032150"	327.594102	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2Cl"	69.938804
"1252463"	664.168285	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Br"	78.918885
"1317099"	666.224272	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Cl+HCOOH"	80.974872
"1334959"	688.206229	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Cl+NaCOOH"	102.956829
"926258"	698.234986	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M-H+CF3COOH"	112.985586
"1303093"	734.211664	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Cl+CF3COOH"	148.962264
"1381255"	550.236724	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H-2H2O"	-35.012676
"1397979"	568.2467	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H-H2O"	-17.0027
"296980"	1171.506076	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+H"	1.007276
"688308"	1756.755476	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+H"	1.007276
"1362103"	586.256676	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H"	1.007276
"137181"	586.256676	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+2H"	2.014552
"577836"	878.881376	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+2H"	2.014552
"1050645"	293.631976	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2H"	2.014552
"216357"	391.173542666667	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+3H"	3.021828
"653000"	586.256676	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+3H"	3.021828
"1168941"	196.090409333333	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+3H"	3.021828
"434401"	1188.532623	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+NH4"	18.033823
"793211"	1773.782023	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+NH4"	18.033823
"1685166"	603.283223	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+NH4"	18.033823
"334539"	594.7699495	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+H+NH4"	19.041099
"729148"	887.3946495	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+H+NH4"	19.041099
"1487345"	302.1452495	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H+NH4"	19.041099
"404933"	1193.488018	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+Na"	22.989218
"762646"	1778.737418	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+Na"	22.989218
"1617070"	608.238618	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Na"	22.989218
"325159"	597.247647	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+H+Na"	23.996494
"717582"	889.872347	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+H+Na"	23.996494
"1474683"	304.622947	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H+Na"	23.996494
"1066835"	203.417723333333	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2H+Na"	25.00377
"1263047"	618.282886	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+CH3OH+H"	33.033486
"383808"	1209.461958	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+K"	38.963158
"748085"	1794.711358	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+K"	38.963158
"1546857"	624.212558	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+K"	38.963158
"305128"	605.234617	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+H+K"	39.970434
"700831"	897.859317	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+H+K"	39.970434
"1454650"	312.609917	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H+K"	39.970434
"242162"	1212.532626	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+ACN+H"	42.033826
"1210737"	627.283226	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+ACN+H"	42.033826
"1194197"	314.145251	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+ACN+2H"	43.041102
"189313"	1215.46996	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+2Na-H"	44.97116
"628824"	1800.71936	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+2Na-H"	44.97116
"1132259"	630.22056	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2Na-H"	44.97116
"177981"	608.238618	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+2Na"	45.978436
"614625"	900.863318	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+2Na"	45.978436
"1116915"	315.613918	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2Na"	45.978436
"1399586"	210.745037333333	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H+2Na"	46.985712
"1434501"	632.262146	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H+HCOOH"	47.012746
"232949"	613.27164	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+3H2O+2H"	56.04448
"1519188"	646.31419	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+IsoProp+H"	61.06479
"421429"	616.225588	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+Na+K"	61.952376
"785102"	908.850288	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+Na+K"	61.952376
"1675838"	323.600888	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Na+K"	61.952376
"260169"	1234.514568	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+ACN+Na"	64.015768
"1233971"	649.265168	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+ACN+Na"	64.015768
"1721401"	649.288693	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+NH4+HCOOH"	64.039293
"1184932"	218.072351333333	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+3Na"	68.967654
"1660291"	654.244088	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Na+HCOOH"	68.994688
"170437"	1247.41784	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+2K-H"	76.91904
"607809"	1832.66724	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+2K-H"	76.91904
"1096696"	662.16844	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2K-H"	76.91904
"148044"	624.212558	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"2M+2K"	77.926316
"589795"	916.837258	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"3M+2K"	77.926316
"1077588"	331.587858	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2K"	77.926316
"1101201"	664.182992	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2K+H"	78.933592
"1342809"	664.270607	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+DMSO+H"	79.021207
"1010243"	668.309776	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2ACN+H"	83.060376
"1528371"	669.303408	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+IsoProp+Na+H"	84.054008
"991538"	334.658526	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+2ACN+2H"	84.067652
"1590414"	670.218028	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+K+HCOOH"	84.968628
"1414857"	700.249538	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+H+CF3COOH"	115.000138
"1149641"	355.171801	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+3ACN+2H"	125.094202
"1699199"	717.276085	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+NH4+CF3COOH"	132.026685
"1637036"	722.23148	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+Na+CF3COOH"	136.98208
"1579249"	738.20542	"C17573"	"Bluensomycin"	"C21H39N5O14"	"585.2494"	"M+K+CF3COOH"	152.95602
"808520"	178.0954	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M"	0
"986429"	159.07701	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-H2O-H"	-19.01839
"77952"	117.722990666667	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M-3H"	-3.021828
"518253"	177.088124	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M-3H"	-3.021828
"895325"	58.3578573333333	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-3H"	-3.021828
"14627"	177.088124	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H"	-2.014552
"455195"	266.135824	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H"	-2.014552
"825779"	88.040424	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H"	-2.014552
"85772"	355.183524	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M-H"	-1.007276
"525330"	533.278924	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M-H"	-1.007276
"900945"	177.088124	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-H"	-1.007276
"53134"	372.210071	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H+NH4"	16.019271
"492697"	550.305471	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H+NH4"	16.019271
"877060"	194.114671	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H+NH4"	16.019271
"45937"	377.165466	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H+Na"	20.974666
"482339"	555.260866	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H+Na"	20.974666
"861235"	199.070066	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H+Na"	20.974666
"1630766"	199.070066	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na-2H"	20.974666
"107304"	195.076463	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M-H+Cl"	33.962126
"547234"	284.124163	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M-H+Cl"	33.962126
"942333"	106.028763	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+Cl"	33.962126
"277845"	391.160202	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Cl"	34.969402
"670270"	569.255602	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+Cl"	34.969402
"1283404"	213.064802	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl"	34.969402
"26325"	393.139406	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M-2H+K"	36.948606
"465521"	571.234806	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M-2H+K"	36.948606
"840406"	215.044006	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-2H+K"	36.948606
"1568270"	215.044006	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+K-2H"	36.948606
"952874"	223.093594	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+HCOOH"	44.998194
"371454"	401.189001	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+HCOOH-H"	44.998201
"353514"	415.204651	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Hac-H"	59.013851
"1502346"	237.109251	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Hac-H"	59.013851
"969886"	245.075551	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+NaCOOH"	66.980151
"123536"	213.064802	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2Cl"	69.938804
"563827"	302.112502	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2Cl"	69.938804
"1032623"	124.017102	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2Cl"	69.938804
"1253664"	257.014285	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Br"	78.918885
"1318666"	259.070272	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl+HCOOH"	80.974872
"1332517"	281.052229	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl+NaCOOH"	102.956829
"925761"	291.080986	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M-H+CF3COOH"	112.985586
"1302470"	327.057664	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Cl+CF3COOH"	148.962264
"1378447"	143.082724	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H-2H2O"	-35.012676
"1392661"	161.0927	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H-H2O"	-17.0027
"295630"	357.198076	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H"	1.007276
"686955"	535.293476	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H"	1.007276
"1362940"	179.102676	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H"	1.007276
"135101"	179.102676	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2H"	2.014552
"577946"	268.150376	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2H"	2.014552
"1047840"	90.054976	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2H"	2.014552
"215373"	119.737542666667	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+3H"	3.021828
"655296"	179.102676	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+3H"	3.021828
"1169051"	60.3724093333333	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+3H"	3.021828
"434511"	374.224623	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+NH4"	18.033823
"795507"	552.320023	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+NH4"	18.033823
"1684183"	196.129223	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+NH4"	18.033823
"335742"	187.6159495	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H+NH4"	19.041099
"727071"	276.6636495	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H+NH4"	19.041099
"1489644"	98.5682495	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+NH4"	19.041099
"407717"	379.180018	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Na"	22.989218
"762756"	557.275418	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+Na"	22.989218
"1616329"	201.084618	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na"	22.989218
"323084"	190.093647	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H+Na"	23.996494
"717693"	279.141347	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H+Na"	23.996494
"1472606"	101.045947	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+Na"	23.996494
"1066581"	67.6997233333333	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2H+Na"	25.00377
"1262061"	211.128886	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+CH3OH+H"	33.033486
"383919"	395.153958	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+K"	38.963158
"746008"	573.249358	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+K"	38.963158
"1545873"	217.058558	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+K"	38.963158
"307424"	198.080617	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+H+K"	39.970434
"702032"	287.128317	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+H+K"	39.970434
"1456946"	109.032917	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+K"	39.970434
"237169"	398.224626	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+ACN+H"	42.033826
"1210843"	220.129226	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+ACN+H"	42.033826
"1194970"	110.568251	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+ACN+2H"	43.041102
"189543"	401.16196	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2Na-H"	44.97116
"629834"	579.25736	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2Na-H"	44.97116
"1132975"	223.06656	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2Na-H"	44.97116
"175904"	201.084618	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2Na"	45.978436
"617285"	290.132318	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2Na"	45.978436
"1118604"	112.036918	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2Na"	45.978436
"1399940"	75.0270373333333	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+2Na"	46.985712
"1435704"	225.108146	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+HCOOH"	47.012746
"232695"	206.11764	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+3H2O+2H"	56.04448
"1517839"	239.16019	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+IsoProp+H"	61.06479
"422997"	209.071588	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+Na+K"	61.952376
"784724"	298.119288	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+Na+K"	61.952376
"1677040"	120.023888	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na+K"	61.952376
"259186"	420.206568	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+ACN+Na"	64.015768
"1235174"	242.111168	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+ACN+Na"	64.015768
"1721875"	242.134693	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+NH4+HCOOH"	64.039293
"1189414"	82.3543513333333	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+3Na"	68.967654
"1658214"	247.090088	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na+HCOOH"	68.994688
"170547"	433.10984	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2K-H"	76.91904
"606826"	611.20524	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2K-H"	76.91904
"1099483"	255.01444	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2K-H"	76.91904
"153621"	217.058558	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"2M+2K"	77.926316
"586625"	306.106258	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"3M+2K"	77.926316
"1077698"	128.010858	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2K"	77.926316
"1100695"	257.028992	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2K+H"	78.933592
"1336354"	257.116607	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+DMSO+H"	79.021207
"1011445"	261.155776	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2ACN+H"	83.060376
"1526294"	262.149408	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+IsoProp+Na+H"	84.054008
"991037"	131.081526	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+2ACN+2H"	84.067652
"1590524"	263.064028	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+K+HCOOH"	84.968628
"1415453"	293.095538	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+H+CF3COOH"	115.000138
"1149750"	151.594801	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+3ACN+2H"	125.094202
"1699309"	310.122085	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+NH4+CF3COOH"	132.026685
"1637146"	315.07748	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+Na+CF3COOH"	136.98208
"1578266"	331.05142	"C17574"	"2-epi-Streptamine"	"C6H14N2O4"	"178.0954"	"M+K+CF3COOH"	152.95602
"808630"	206.1267	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M"	0
"989884"	187.10831	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-H2O-H"	-19.01839
"78430"	136.410524	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M-3H"	-3.021828
"518446"	205.119424	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M-3H"	-3.021828
"895312"	67.701624	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-3H"	-3.021828
"15223"	205.119424	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M-2H"	-2.014552
"455675"	308.182774	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M-2H"	-2.014552
"825890"	102.056074	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-2H"	-2.014552
"88070"	411.246124	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M-H"	-1.007276
"525443"	617.372824	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M-H"	-1.007276
"899962"	205.119424	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-H"	-1.007276
"51055"	428.272671	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M-2H+NH4"	16.019271
"490617"	634.399371	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M-2H+NH4"	16.019271
"865869"	222.145971	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-2H+NH4"	16.019271
"35228"	433.228066	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M-2H+Na"	20.974666
"484633"	639.354766	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M-2H+Na"	20.974666
"861345"	227.101366	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-2H+Na"	20.974666
"1630876"	227.101366	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Na-2H"	20.974666
"108870"	223.107763	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M-H+Cl"	33.962126
"549412"	326.171113	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M-H+Cl"	33.962126
"942780"	120.044413	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-H+Cl"	33.962126
"276862"	447.222802	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+Cl"	34.969402
"671473"	653.349502	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+Cl"	34.969402
"1286795"	241.096102	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Cl"	34.969402
"27529"	449.202006	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M-2H+K"	36.948606
"464902"	655.328706	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M-2H+K"	36.948606
"840516"	243.075306	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-2H+K"	36.948606
"1566193"	243.075306	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+K-2H"	36.948606
"954079"	251.124894	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-H+HCOOH"	44.998194
"374480"	457.251601	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+HCOOH-H"	44.998201
"352895"	471.267251	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+Hac-H"	59.013851
"1505008"	265.140551	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Hac-H"	59.013851
"969996"	273.106851	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-H+NaCOOH"	66.980151
"122549"	241.096102	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+2Cl"	69.938804
"563938"	344.159452	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+2Cl"	69.938804
"1029818"	138.032752	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2Cl"	69.938804
"1254141"	285.045585	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Br"	78.918885
"1318413"	287.101572	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Cl+HCOOH"	80.974872
"1335180"	309.083529	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Cl+NaCOOH"	102.956829
"926236"	319.112286	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M-H+CF3COOH"	112.985586
"1302949"	355.088964	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Cl+CF3COOH"	148.962264
"1381475"	171.114024	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H-2H2O"	-35.012676
"1396051"	189.124	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H-H2O"	-17.0027
"296833"	413.260676	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+H"	1.007276
"687065"	619.387376	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+H"	1.007276
"1365237"	207.133976	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H"	1.007276
"137763"	207.133976	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+2H"	2.014552
"579149"	310.197326	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+2H"	2.014552
"1050865"	104.070626	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2H"	2.014552
"214754"	138.425076	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+3H"	3.021828
"654313"	207.133976	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+3H"	3.021828
"1168068"	69.716176	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+3H"	3.021828
"435715"	430.287223	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+NH4"	18.033823
"794524"	636.413923	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+NH4"	18.033823
"1686482"	224.160523	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+NH4"	18.033823
"335851"	215.6472495	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+H+NH4"	19.041099
"727181"	318.7105995	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+H+NH4"	19.041099
"1492310"	112.5838995	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H+NH4"	19.041099
"407949"	435.242618	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+Na"	22.989218
"766146"	641.369318	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+Na"	22.989218
"1614254"	229.115918	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Na"	22.989218
"327569"	218.124947	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+H+Na"	23.996494
"716710"	321.188297	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+H+Na"	23.996494
"1474904"	115.061597	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H+Na"	23.996494
"1067054"	77.04349	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2H+Na"	25.00377
"1264358"	239.160186	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+CH3OH+H"	33.033486
"380749"	451.216558	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+K"	38.963158
"746116"	657.343258	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+K"	38.963158
"1548170"	245.089858	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+K"	38.963158
"304255"	226.111917	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+H+K"	39.970434
"699955"	329.175267	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+H+K"	39.970434
"1446242"	123.048567	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H+K"	39.970434
"239101"	454.287226	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+ACN+H"	42.033826
"1210227"	248.160526	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+ACN+H"	42.033826
"1195449"	124.583901	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+ACN+2H"	43.041102
"188839"	457.22456	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+2Na-H"	44.97116
"629091"	663.35126	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+2Na-H"	44.97116
"1133451"	251.09786	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2Na-H"	44.97116
"174918"	229.115918	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+2Na"	45.978436
"614479"	332.179268	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+2Na"	45.978436
"1117376"	126.052568	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2Na"	45.978436
"1400535"	84.370804	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H+2Na"	46.985712
"1434721"	253.139446	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H+HCOOH"	47.012746
"232805"	234.14894	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+3H2O+2H"	56.04448
"1517949"	267.19149	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+IsoProp+H"	61.06479
"422014"	237.102888	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+Na+K"	61.952376
"783010"	340.166238	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+Na+K"	61.952376
"1676786"	134.039538	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Na+K"	61.952376
"259295"	476.269168	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+ACN+Na"	64.015768
"1234190"	270.142468	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+ACN+Na"	64.015768
"1721985"	270.165993	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+NH4+HCOOH"	64.039293
"1192076"	91.698118	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+3Na"	68.967654
"1658324"	275.121388	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Na+HCOOH"	68.994688
"171750"	489.17244	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+2K-H"	76.91904
"606936"	695.29914	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+2K-H"	76.91904
"1096915"	283.04574	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2K-H"	76.91904
"153731"	245.089858	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"2M+2K"	77.926316
"592198"	348.153208	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"3M+2K"	77.926316
"1079995"	142.026508	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2K"	77.926316
"1103366"	285.060292	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2K+H"	78.933592
"1339749"	285.147907	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+DMSO+H"	79.021207
"1009370"	289.187076	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2ACN+H"	83.060376
"1528591"	290.180708	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+IsoProp+Na+H"	84.054008
"992851"	145.097176	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+2ACN+2H"	84.067652
"1591727"	291.095328	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+K+HCOOH"	84.968628
"1415926"	321.126838	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+H+CF3COOH"	115.000138
"1148767"	165.610451	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+3ACN+2H"	125.094202
"1698326"	338.153385	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+NH4+CF3COOH"	132.026685
"1634215"	343.10878	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+Na+CF3COOH"	136.98208
"1578376"	359.08272	"C17575"	"Actinamine;Spectinamine"	"C8H18N2O4"	"206.1267"	"M+K+CF3COOH"	152.95602
"808740"	177.0637	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M"	0
"987378"	158.04531	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-H2O-H"	-19.01839
"78179"	117.035190666667	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M-3H"	-3.021828
"517982"	176.056424	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M-3H"	-3.021828
"894815"	58.0139573333333	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-3H"	-3.021828
"15448"	176.056424	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M-2H"	-2.014552
"453549"	264.588274	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M-2H"	-2.014552
"826000"	87.524574	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-2H"	-2.014552
"88180"	353.120124	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M-H"	-1.007276
"525553"	530.183824	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M-H"	-1.007276
"900072"	176.056424	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-H"	-1.007276
"49704"	370.146671	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M-2H+NH4"	16.019271
"490360"	547.210371	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M-2H+NH4"	16.019271
"866707"	193.082971	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-2H+NH4"	16.019271
"34245"	375.102066	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M-2H+Na"	20.974666
"481463"	552.165766	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M-2H+Na"	20.974666
"857079"	198.038366	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-2H+Na"	20.974666
"1629893"	198.038366	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Na-2H"	20.974666
"106423"	194.044763	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M-H+Cl"	33.962126
"549560"	282.576613	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M-H+Cl"	33.962126
"942308"	105.512913	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-H+Cl"	33.962126
"276972"	389.096802	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+Cl"	34.969402
"670854"	566.160502	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+Cl"	34.969402
"1288004"	212.033102	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Cl"	34.969402
"30921"	391.076006	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M-2H+K"	36.948606
"461733"	568.139706	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M-2H+K"	36.948606
"838074"	214.012306	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-2H+K"	36.948606
"1563023"	214.012306	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+K-2H"	36.948606
"954189"	222.061894	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-H+HCOOH"	44.998194
"374591"	399.125601	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+HCOOH-H"	44.998201
"357380"	413.141251	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+Hac-H"	59.013851
"1504025"	236.077551	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Hac-H"	59.013851
"970472"	244.043851	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-H+NaCOOH"	66.980151
"122297"	212.033102	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+2Cl"	69.938804
"561128"	300.564952	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+2Cl"	69.938804
"1031021"	123.501252	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2Cl"	69.938804
"1252427"	255.982585	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Br"	78.918885
"1318156"	258.038572	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Cl+HCOOH"	80.974872
"1334925"	280.020529	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Cl+NaCOOH"	102.956829
"925616"	290.049286	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M-H+CF3COOH"	112.985586
"1301599"	326.025964	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Cl+CF3COOH"	148.962264
"1376481"	142.051024	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H-2H2O"	-35.012676
"1392883"	160.061	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H-H2O"	-17.0027
"295851"	355.134676	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+H"	1.007276
"689364"	532.198376	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+H"	1.007276
"1363525"	178.070976	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H"	1.007276
"136415"	178.070976	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+2H"	2.014552
"575976"	266.602826	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+2H"	2.014552
"1048055"	89.539126	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2H"	2.014552
"212675"	119.049742666667	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+3H"	3.021828
"653329"	178.070976	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+3H"	3.021828
"1171458"	60.0285093333333	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+3H"	3.021828
"433638"	372.161223	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+NH4"	18.033823
"797549"	549.224923	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+NH4"	18.033823
"1689872"	195.097523	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+NH4"	18.033823
"335961"	186.5842495	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+H+NH4"	19.041099
"725103"	275.1160995	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+H+NH4"	19.041099
"1491810"	98.0523995	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H+NH4"	19.041099
"406356"	377.116618	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+Na"	22.989218
"766256"	554.180318	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+Na"	22.989218
"1614364"	200.052918	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Na"	22.989218
"326586"	189.061947	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+H+Na"	23.996494
"716820"	277.593797	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+H+Na"	23.996494
"1474651"	100.530097	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H+Na"	23.996494
"1063885"	67.3558233333333	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2H+Na"	25.00377
"1263377"	210.097186	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+CH3OH+H"	33.033486
"379037"	393.090558	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+K"	38.963158
"744040"	570.154258	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+K"	38.963158
"1550466"	216.026858	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+K"	38.963158
"303269"	197.048917	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+H+K"	39.970434
"700066"	285.580767	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+H+K"	39.970434
"1448419"	108.517067	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H+K"	39.970434
"237388"	396.161226	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+ACN+H"	42.033826
"1210578"	219.097526	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+ACN+H"	42.033826
"1194826"	110.052401	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+ACN+2H"	43.041102
"189522"	399.09856	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+2Na-H"	44.97116
"631148"	576.16226	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+2Na-H"	44.97116
"1132831"	222.03486	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2Na-H"	44.97116
"174300"	200.052918	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+2Na"	45.978436
"614589"	288.584768	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+2Na"	45.978436
"1117365"	111.521068	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2Na"	45.978436
"1399916"	74.6831373333333	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H+2Na"	46.985712
"1435924"	224.076446	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H+HCOOH"	47.012746
"231822"	205.08594	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+3H2O+2H"	56.04448
"1520975"	238.12849	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+IsoProp+H"	61.06479
"422853"	208.039888	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+Na+K"	61.952376
"784213"	296.571738	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+Na+K"	61.952376
"1677989"	119.508038	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Na+K"	61.952376
"261594"	418.143168	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+ACN+Na"	64.015768
"1238675"	241.079468	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+ACN+Na"	64.015768
"1725012"	241.102993	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+NH4+HCOOH"	64.039293
"1191459"	82.0104513333333	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+3Na"	68.967654
"1660622"	246.058388	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Na+HCOOH"	68.994688
"171860"	431.04644	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+2K-H"	76.91904
"611786"	608.11014	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+2K-H"	76.91904
"1099668"	253.98274	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2K-H"	76.91904
"156028"	216.026858	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"2M+2K"	77.926316
"596854"	304.558708	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"3M+2K"	77.926316
"1074638"	127.495008	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2K"	77.926316
"1110031"	255.997292	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2K+H"	78.933592
"1339859"	256.084907	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+DMSO+H"	79.021207
"1009478"	260.124076	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2ACN+H"	83.060376
"1530888"	261.117708	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+IsoProp+Na+H"	84.054008
"992961"	130.565676	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+2ACN+2H"	84.067652
"1591837"	262.032328	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+K+HCOOH"	84.968628
"1415674"	292.063838	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+H+CF3COOH"	115.000138
"1151065"	151.078951	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+3ACN+2H"	125.094202
"1698436"	309.090385	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+NH4+CF3COOH"	132.026685
"1634210"	314.04578	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+Na+CF3COOH"	136.98208
"1578486"	330.01972	"C17576"	"3-Keto-scyllo-inosamine"	"C6H11NO5"	"177.0637"	"M+K+CF3COOH"	152.95602
"808850"	178.0477	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M"	0
"984572"	159.02931	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"78246"	117.691190666667	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"517966"	177.040424	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"894802"	58.3419573333333	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"14953"	177.040424	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"451593"	266.064274	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"822830"	88.016574	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"85010"	355.088124	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"525663"	533.135824	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"900182"	177.040424	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51276"	372.114671	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"490839"	550.162371	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"869734"	194.066971	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"35450"	377.070066	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"476106"	555.117766	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"860471"	199.022366	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1626723"	199.022366	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"106533"	195.028763	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"548656"	284.052613	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"942181"	106.004913	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"278541"	391.064802	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"672423"	569.112502	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1285559"	213.017102	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"30303"	393.044006	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"466581"	571.091706	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"846570"	214.996306	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1565318"	214.996306	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"952109"	223.045894	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"372514"	401.093601	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"352023"	415.109251	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1502678"	237.061551	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"971313"	245.027851	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"122772"	213.017102	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"562698"	302.040952	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1032954"	123.993252	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1252903"	256.966585	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1318265"	259.022572	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1333942"	281.004529	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"926786"	291.033286	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1302803"	327.009964	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1375498"	143.035024	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1395179"	161.045	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"297055"	357.102676	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"688382"	535.150376	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1364729"	179.054976	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"134338"	179.054976	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"577180"	268.078826	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1047071"	90.031126	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"213878"	119.705742666667	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"658542"	179.054976	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1170475"	60.3565093333333	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"434841"	374.129223	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"795836"	552.176923	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1689981"	196.081523	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"334977"	187.5682495	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"724603"	276.5920995	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1479396"	98.5443995	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"407560"	379.084618	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"760899"	557.132318	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1614839"	201.036918	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"325600"	190.045947	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"720696"	279.069797	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1470748"	101.022097	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1065088"	67.6838233333333	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1260935"	211.081186	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"383158"	395.058558	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"745244"	573.106258	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1550577"	217.010858	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"305566"	198.032917	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"695803"	287.056767	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1447436"	109.009067	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"240415"	398.129226	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1210198"	220.081526	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1196275"	110.544401	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"190604"	401.06656	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"630165"	579.11426	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1132213"	223.01886	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"174410"	201.036918	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"614334"	290.060768	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1115781"	112.013068	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1399417"	75.0111373333333	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1434941"	225.060446	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"231200"	206.06994	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1518169"	239.11249	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"421504"	209.023888	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"781041"	298.047738	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1677369"	120.000038	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"262796"	420.111168	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1237691"	242.063468	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1722204"	242.086993	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1191568"	82.3384513333333	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1661825"	247.042388	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"170880"	433.01444	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"611169"	611.06214	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1098595"	254.96674	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"153951"	217.010858	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"595827"	306.034708	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1074747"	127.987008	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1109047"	256.981292	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1338873"	257.068907	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1013961"	261.108076	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1532091"	262.101708	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"991976"	131.057676	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1589757"	263.016328	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1415420"	293.047838	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1150081"	151.570951	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1699639"	310.074385	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1634316"	315.02978	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1578596"	331.00372	"C17577"	"myo-Inosose-5"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"807867"	179.0794	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M"	0
"987962"	160.06101	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"78116"	118.378990666667	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"517955"	178.072124	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"895282"	58.6858573333333	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"15274"	178.072124	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"453890"	267.611824	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"822940"	88.532424	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"88400"	357.151524	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"525773"	536.230924	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"902479"	178.072124	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"53572"	374.178071	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"493136"	553.257471	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"872031"	195.098671	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"35560"	379.133466	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"479496"	558.212866	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"858394"	200.054066	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1627926"	200.054066	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"104456"	196.060463	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"549012"	285.600163	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"942539"	106.520763	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"282302"	393.128202	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"674237"	572.207602	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1286644"	214.048802	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"29566"	395.107406	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"469850"	574.186806	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"847412"	216.028006	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1565428"	216.028006	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"950033"	224.077594	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"375056"	403.157001	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"358332"	417.172651	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1504247"	238.093251	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"971059"	246.059551	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"123247"	214.048802	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"564754"	303.588502	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1033064"	124.509102	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1256050"	257.998285	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1319677"	260.054272	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1335477"	282.036229	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"926080"	292.064986	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1303727"	328.041664	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1382052"	144.066724	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1398087"	162.0767	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"296072"	359.166076	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"691208"	538.245476	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1365811"	180.086676	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"136635"	180.086676	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"579477"	269.626376	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1044995"	90.546976	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"213988"	120.393542666667	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"659625"	180.086676	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1174959"	60.7004093333333	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"438230"	376.192623	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"793759"	555.272023	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1687904"	197.113223	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"333630"	188.5999495	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"723862"	278.1396495	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1481695"	99.0602495	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"407794"	381.148018	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"763196"	560.227418	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1617501"	202.068618	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"327170"	191.077647	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"719956"	280.617347	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1474506"	101.537947	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1065199"	68.0277233333333	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1267973"	212.112886	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"385455"	397.121958	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"751552"	576.201358	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1549595"	218.042558	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"310050"	199.064617	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"702476"	288.604317	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1457754"	109.524917	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"241619"	400.192626	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1214324"	221.113226	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1196384"	111.060251	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"191442"	403.12996	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"629300"	582.20936	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1132686"	224.05056	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"174884"	202.068618	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"614807"	291.608318	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1116855"	112.528918	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1400742"	75.3550373333333	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1432131"	226.092146	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"233497"	207.10164	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1518279"	240.14419	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"422709"	210.055588	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"782243"	299.595288	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1674199"	120.515888	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"262905"	422.174568	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1236707"	243.095168	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1720127"	243.118693	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1193135"	82.6823513333333	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1664001"	248.074088	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"169898"	435.07784	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"610554"	614.15724	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1098342"	255.99844	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"151875"	218.042558	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"594720"	307.582258	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1074856"	128.502858	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1105877"	258.012992	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1338254"	258.100607	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1010792"	262.139776	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1524788"	263.133408	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"993179"	131.573526	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1589867"	264.048028	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1415529"	294.079538	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1147639"	152.086801	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1700842"	311.106085	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1635033"	316.06148	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1578706"	332.03542	"C17578"	"neo-Inosamine-2;2L-2-Amino-2-deoxy-neo-inositol"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"807977"	511.169	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M"	0
"985885"	492.15061	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-H2O-H"	-19.01839
"78398"	339.772057333333	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M-3H"	-3.021828
"518514"	510.161724	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M-3H"	-3.021828
"895631"	169.382390666667	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-3H"	-3.021828
"13347"	510.161724	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M-2H"	-2.014552
"449626"	765.746224	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M-2H"	-2.014552
"823050"	254.577224	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-2H"	-2.014552
"85230"	1021.330724	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M-H"	-1.007276
"525883"	1532.499724	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M-H"	-1.007276
"899672"	510.161724	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-H"	-1.007276
"48575"	1038.357271	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M-2H+NH4"	16.019271
"491059"	1549.526271	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M-2H+NH4"	16.019271
"868494"	527.188271	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-2H+NH4"	16.019271
"33847"	1043.312666	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M-2H+Na"	20.974666
"479606"	1554.481666	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M-2H+Na"	20.974666
"859597"	532.143666	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-2H+Na"	20.974666
"1628036"	532.143666	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Na-2H"	20.974666
"96909"	528.150063	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M-H+Cl"	33.962126
"549813"	783.734563	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M-H+Cl"	33.962126
"941675"	272.565563	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-H+Cl"	33.962126
"282373"	1057.307402	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+Cl"	34.969402
"674954"	1568.476402	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+Cl"	34.969402
"1287848"	546.138402	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Cl"	34.969402
"30731"	1059.286606	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M-2H+K"	36.948606
"470978"	1570.455606	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M-2H+K"	36.948606
"847398"	548.117606	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-2H+K"	36.948606
"1569548"	548.117606	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+K-2H"	36.948606
"950143"	556.167194	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-H+HCOOH"	44.998194
"375651"	1067.336201	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+HCOOH-H"	44.998201
"360266"	1081.351851	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+Hac-H"	59.013851
"1507881"	570.182851	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Hac-H"	59.013851
"968252"	578.149151	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-H+NaCOOH"	66.980151
"123357"	546.138402	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+2Cl"	69.938804
"564741"	801.722902	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+2Cl"	69.938804
"1033174"	290.553902	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2Cl"	69.938804
"1255307"	590.087885	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Br"	78.918885
"1319585"	592.143872	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Cl+HCOOH"	80.974872
"1335143"	614.125829	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Cl+NaCOOH"	102.956829
"926634"	624.154586	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M-H+CF3COOH"	112.985586
"1303757"	660.131264	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Cl+CF3COOH"	148.962264
"1381188"	476.156324	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H-2H2O"	-35.012676
"1398075"	494.1663	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H-H2O"	-17.0027
"298368"	1023.345276	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+H"	1.007276
"691162"	1534.514276	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+H"	1.007276
"1364949"	512.176276	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H"	1.007276
"136745"	512.176276	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+2H"	2.014552
"579587"	767.760776	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+2H"	2.014552
"1045105"	256.591776	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2H"	2.014552
"213005"	341.786609333333	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+3H"	3.021828
"658398"	512.176276	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+3H"	3.021828
"1175069"	171.396942666667	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+3H"	3.021828
"437247"	1040.371823	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+NH4"	18.033823
"793869"	1551.540823	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+NH4"	18.033823
"1693479"	529.202823	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+NH4"	18.033823
"343217"	520.6895495	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+H+NH4"	19.041099
"725432"	776.2740495	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+H+NH4"	19.041099
"1479617"	265.1050495	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H+NH4"	19.041099
"407780"	1045.327218	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+Na"	22.989218
"762213"	1556.496218	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+Na"	22.989218
"1617368"	534.158218	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Na"	22.989218
"324729"	523.167247	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+H+Na"	23.996494
"718243"	778.751747	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+H+Na"	23.996494
"1472062"	267.582747	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H+Na"	23.996494
"1064214"	178.724256666667	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2H+Na"	25.00377
"1269178"	544.202486	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+CH3OH+H"	33.033486
"386660"	1061.301158	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+K"	38.963158
"749840"	1572.470158	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+K"	38.963158
"1548612"	550.132158	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+K"	38.963158
"306881"	531.154217	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+H+K"	39.970434
"700399"	786.738717	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+H+K"	39.970434
"1455313"	275.569717	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H+K"	39.970434
"243916"	1064.371826	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+ACN+H"	42.033826
"1214433"	553.202826	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+ACN+H"	42.033826
"1197223"	277.105051	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+ACN+2H"	43.041102
"190459"	1067.30916	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+2Na-H"	44.97116
"629289"	1578.47816	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+2Na-H"	44.97116
"1132917"	556.14016	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2Na-H"	44.97116
"174265"	534.158218	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+2Na"	45.978436
"613213"	789.742718	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+2Na"	45.978436
"1116227"	278.573718	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2Na"	45.978436
"1400001"	186.051570666667	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H+2Na"	46.985712
"1432241"	558.181746	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H+HCOOH"	47.012746
"231420"	539.19124	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+3H2O+2H"	56.04448
"1515109"	572.23379	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+IsoProp+H"	61.06479
"422455"	542.145188	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+Na+K"	61.952376
"784175"	797.729688	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+Na+K"	61.952376
"1674309"	286.560688	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Na+K"	61.952376
"255360"	1086.353768	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+ACN+Na"	64.015768
"1232443"	575.184768	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+ACN+Na"	64.015768
"1718050"	575.208293	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+NH4+HCOOH"	64.039293
"1188871"	193.378884666667	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+3Na"	68.967654
"1662044"	580.163688	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Na+HCOOH"	68.994688
"171463"	1099.25704	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+2K-H"	76.91904
"609563"	1610.42604	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+2K-H"	76.91904
"1096262"	588.08804	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2K-H"	76.91904
"153078"	550.132158	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"2M+2K"	77.926316
"596044"	805.716658	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"3M+2K"	77.926316
"1073873"	294.547658	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2K"	77.926316
"1107080"	590.102592	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2K+H"	78.933592
"1339093"	590.190207	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+DMSO+H"	79.021207
"1008715"	594.229376	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2ACN+H"	83.060376
"1526842"	595.223008	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+IsoProp+Na+H"	84.054008
"991223"	297.618326	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+2ACN+2H"	84.067652
"1588884"	596.137628	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+K+HCOOH"	84.968628
"1414910"	626.169138	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+H+CF3COOH"	115.000138
"1150301"	318.131601	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+3ACN+2H"	125.094202
"1700952"	643.195685	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+NH4+CF3COOH"	132.026685
"1634657"	648.15108	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+Na+CF3COOH"	136.98208
"1579909"	664.12502	"C17579"	"Hygromycin A"	"C23H29NO12"	"511.169"	"M+K+CF3COOH"	152.95602
"809180"	163.0845	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M"	0
"979434"	144.06611	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-H2O-H"	-19.01839
"76426"	107.715724	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M-3H"	-3.021828
"515986"	162.077224	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M-3H"	-3.021828
"887227"	53.354224	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-3H"	-3.021828
"10905"	162.077224	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M-2H"	-2.014552
"447549"	243.619474	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M-2H"	-2.014552
"823160"	80.534974	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-2H"	-2.014552
"82059"	325.161724	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M-H"	-1.007276
"525993"	488.246224	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M-H"	-1.007276
"901603"	162.077224	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-H"	-1.007276
"49779"	342.188271	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M-2H+NH4"	16.019271
"491166"	505.272771	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M-2H+NH4"	16.019271
"868969"	179.103771	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-2H+NH4"	16.019271
"35777"	347.143666	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M-2H+Na"	20.974666
"476435"	510.228166	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M-2H+Na"	20.974666
"853141"	184.059166	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-2H+Na"	20.974666
"1622678"	184.059166	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Na-2H"	20.974666
"95924"	180.065563	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M-H+Cl"	33.962126
"549556"	261.607813	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M-H+Cl"	33.962126
"942596"	98.523313	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-H+Cl"	33.962126
"281665"	361.138402	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+Cl"	34.969402
"673112"	524.222902	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+Cl"	34.969402
"1288277"	198.053902	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Cl"	34.969402
"28073"	363.117606	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M-2H+K"	36.948606
"470313"	526.202106	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M-2H+K"	36.948606
"844344"	200.033106	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-2H+K"	36.948606
"1566741"	200.033106	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+K-2H"	36.948606
"948063"	208.082694	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-H+HCOOH"	44.998194
"368468"	371.167201	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+HCOOH-H"	44.998201
"351257"	385.182851	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+Hac-H"	59.013851
"1500088"	222.098351	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Hac-H"	59.013851
"962162"	230.064651	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-H+NaCOOH"	66.980151
"120550"	198.053902	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+2Cl"	69.938804
"561204"	279.596152	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+2Cl"	69.938804
"1031096"	116.511652	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2Cl"	69.938804
"1253593"	242.003385	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Br"	78.918885
"1319325"	244.059372	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Cl+HCOOH"	80.974872
"1333175"	266.041329	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Cl+NaCOOH"	102.956829
"924962"	276.070086	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M-H+CF3COOH"	112.985586
"1297659"	312.046764	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Cl+CF3COOH"	148.962264
"1380201"	128.071824	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H-2H2O"	-35.012676
"1396601"	146.0818	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H-H2O"	-17.0027
"294100"	327.176276	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+H"	1.007276
"689804"	490.260776	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+H"	1.007276
"1361775"	164.091776	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H"	1.007276
"130294"	164.091776	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+2H"	2.014552
"568031"	245.634026	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+2H"	2.014552
"1040841"	82.549526	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2H"	2.014552
"213115"	109.730276	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+3H"	3.021828
"650488"	164.091776	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+3H"	3.021828
"1169712"	55.368776	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+3H"	3.021828
"429704"	344.202823	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+NH4"	18.033823
"787052"	507.287323	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+NH4"	18.033823
"1689217"	181.118323	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+NH4"	18.033823
"336402"	172.6050495	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+H+NH4"	19.041099
"731009"	254.1472995	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+H+NH4"	19.041099
"1477092"	91.0627995	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H+NH4"	19.041099
"392985"	349.158218	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+Na"	22.989218
"763416"	512.242718	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+Na"	22.989218
"1618086"	186.073718	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Na"	22.989218
"329462"	175.082747	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+H+Na"	23.996494
"721637"	256.624997	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+H+Na"	23.996494
"1471081"	93.540497	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H+Na"	23.996494
"1064326"	62.69609	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2H+Na"	25.00377
"1270382"	196.117986	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+CH3OH+H"	33.033486
"387864"	365.132158	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+K"	38.963158
"748859"	528.216658	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+K"	38.963158
"1550911"	202.047658	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+K"	38.963158
"309181"	183.069717	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+H+K"	39.970434
"701604"	264.611967	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+H+K"	39.970434
"1456515"	101.527467	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H+K"	39.970434
"247307"	368.202826	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+ACN+H"	42.033826
"1213817"	205.118326	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+ACN+H"	42.033826
"1197337"	103.062801	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+ACN+2H"	43.041102
"192028"	371.14016	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+2Na-H"	44.97116
"630495"	534.22466	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+2Na-H"	44.97116
"1131930"	208.05566	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2Na-H"	44.97116
"177291"	186.073718	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+2Na"	45.978436
"613081"	267.615968	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+2Na"	45.978436
"1116464"	104.531468	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2Na"	45.978436
"1399503"	70.023404	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H+2Na"	46.985712
"1432715"	210.097246	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H+HCOOH"	47.012746
"227156"	191.10674	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+3H2O+2H"	56.04448
"1513032"	224.14929	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+IsoProp+H"	61.06479
"421469"	194.060688	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+Na+K"	61.952376
"778090"	275.602938	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+Na+K"	61.952376
"1673326"	112.518438	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Na+K"	61.952376
"258750"	390.184768	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+ACN+Na"	64.015768
"1233645"	227.100268	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+ACN+Na"	64.015768
"1717067"	227.123793	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+NH4+HCOOH"	64.039293
"1182421"	77.350718	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+3Na"	68.967654
"1658874"	232.079188	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Na+HCOOH"	68.994688
"171571"	403.08804	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+2K-H"	76.91904
"609673"	566.17254	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+2K-H"	76.91904
"1093092"	240.00354	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2K-H"	76.91904
"153187"	202.047658	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"2M+2K"	77.926316
"595908"	283.589908	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"3M+2K"	77.926316
"1076169"	120.505408	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2K"	77.926316
"1103910"	242.018092	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2K+H"	78.933592
"1337502"	242.105707	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+DMSO+H"	79.021207
"1007731"	246.144876	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2ACN+H"	83.060376
"1525372"	247.138508	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+IsoProp+Na+H"	84.054008
"992305"	123.576076	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+2ACN+2H"	84.067652
"1588994"	248.053128	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+K+HCOOH"	84.968628
"1414655"	278.084638	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+H+CF3COOH"	115.000138
"1148224"	144.089351	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+3ACN+2H"	125.094202
"1701062"	295.111185	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+NH4+CF3COOH"	132.026685
"1637805"	300.06658	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+Na+CF3COOH"	136.98208
"1580019"	316.04052	"C17580"	"2-Deoxy-scyllo-inosamine"	"C6H13NO4"	"163.0845"	"M+K+CF3COOH"	152.95602
"809290"	161.0688	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M"	0
"985010"	142.05041	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"76536"	106.371924	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"516096"	160.061524	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"888430"	52.682324	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"11015"	160.061524	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"445472"	240.595924	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"822177"	79.527124	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"82166"	321.130324	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"521727"	482.199124	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"898798"	160.061524	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"50619"	338.156871	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"490183"	499.225671	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"867254"	177.088071	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"35886"	343.112266	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"471638"	504.181066	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"849363"	182.043466	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1619507"	182.043466	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"96033"	178.049863	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"549582"	258.584263	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"942574"	97.515463	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"280801"	357.107002	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"675249"	518.175802	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1287979"	196.038202	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"27090"	359.086206	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"469206"	520.155006	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"842267"	198.017406	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1563572"	198.017406	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"949267"	206.066994	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"368578"	367.135801	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"351367"	381.151451	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1498010"	220.082651	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"962272"	228.048951	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"114461"	196.038202	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"559491"	276.572602	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1027194"	115.503802	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1251880"	239.987685	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1319725"	242.043672	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1333650"	264.025629	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"923977"	274.054386	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1297769"	310.031064	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1381040"	126.056124	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1397198"	144.0661	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"295304"	323.144876	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"689914"	484.213676	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1361885"	162.076076	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"129311"	162.076076	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"568505"	242.610476	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1039856"	81.541676	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"207757"	108.386476	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"651691"	162.076076	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1173102"	54.696876	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"430906"	340.171423	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"790443"	501.240223	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1687140"	179.102623	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"336512"	170.5893495	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"733306"	251.1237495	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1477396"	90.0549495	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"393244"	345.126818	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"758057"	506.195618	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1614914"	184.058018	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"329875"	173.067047	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"717372"	253.601447	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1472284"	92.532647	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1065528"	62.02419	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1270128"	194.102286	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"384694"	361.100758	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"751156"	522.169558	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1551021"	200.031958	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"307104"	181.054017	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"704993"	261.588417	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1456625"	100.519617	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"246323"	364.171426	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1213564"	203.102626	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1197081"	102.054951	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"191773"	367.10876	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"629512"	528.17756	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1131838"	206.03996	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"177401"	184.058018	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"613027"	264.592418	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1116330"	103.523618	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1400101"	69.351504	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1433191"	208.081546	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"228359"	189.09104	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1515329"	222.13359	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"420486"	192.044988	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"778200"	272.579388	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1674530"	111.510588	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"259953"	386.153368	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1234848"	225.084568	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1716080"	225.108093	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1184717"	76.678818	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1658984"	230.063488	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"168032"	399.05664	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"603218"	560.12544	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1089916"	237.98784	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"151110"	200.031958	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"590671"	280.566358	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1076279"	119.497558	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1105114"	240.002392	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1335747"	240.090007	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1006747"	244.129176	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1525118"	245.122808	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"993507"	122.568226	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1587320"	246.037428	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1414297"	276.068938	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1148334"	143.081501	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1701173"	293.095485	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1635364"	298.05088	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1580129"	314.02482	"C17581"	"3-Amino-23-dideoxy-scyllo-inosose;2-Deoxy-3-keto-scyllo-inosamine"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"809400"	365.1798	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M"	0
"984027"	346.16141	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-H2O-H"	-19.01839
"76282"	242.445924	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M-3H"	-3.021828
"516206"	364.172524	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M-3H"	-3.021828
"891821"	120.719324	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-3H"	-3.021828
"10396"	364.172524	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M-2H"	-2.014552
"448863"	546.762424	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M-2H"	-2.014552
"821193"	181.582624	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-2H"	-2.014552
"82276"	729.352324	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M-H"	-1.007276
"520744"	1094.532124	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M-H"	-1.007276
"898906"	364.172524	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-H"	-1.007276
"50364"	746.378871	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M-2H+NH4"	16.019271
"492480"	1111.558671	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M-2H+NH4"	16.019271
"868093"	381.199071	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-2H+NH4"	16.019271
"34175"	751.334266	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M-2H+Na"	20.974666
"471914"	1116.514066	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M-2H+Na"	20.974666
"851178"	386.154466	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-2H+Na"	20.974666
"1620710"	386.154466	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Na-2H"	20.974666
"97239"	382.160863	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M-H+Cl"	33.962126
"546283"	564.750763	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M-H+Cl"	33.962126
"942402"	199.570963	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-H+Cl"	33.962126
"282335"	765.329002	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+Cl"	34.969402
"675448"	1130.508802	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+Cl"	34.969402
"1288177"	400.149202	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Cl"	34.969402
"29997"	767.308206	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M-2H+K"	36.948606
"466762"	1132.488006	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M-2H+K"	36.948606
"844564"	402.128406	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-2H+K"	36.948606
"1563682"	402.128406	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+K-2H"	36.948606
"948285"	410.177994	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-H+HCOOH"	44.998194
"368687"	775.357801	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+HCOOH-H"	44.998201
"352571"	789.373451	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+Hac-H"	59.013851
"1501401"	424.193651	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Hac-H"	59.013851
"963476"	432.159951	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-H+NaCOOH"	66.980151
"121131"	400.149202	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+2Cl"	69.938804
"558873"	582.739102	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+2Cl"	69.938804
"1027305"	217.559302	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2Cl"	69.938804
"1247981"	444.098685	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Br"	78.918885
"1316262"	446.154672	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Cl+HCOOH"	80.974872
"1330842"	468.136629	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Cl+NaCOOH"	102.956829
"918983"	478.165386	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M-H+CF3COOH"	112.985586
"1295693"	514.142064	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Cl+CF3COOH"	148.962264
"1379329"	330.167124	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H-2H2O"	-35.012676
"1396824"	348.1771	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H-H2O"	-17.0027
"295415"	731.366876	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+H"	1.007276
"691001"	1096.546676	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+H"	1.007276
"1364183"	366.187076	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H"	1.007276
"132701"	366.187076	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+2H"	2.014552
"573354"	548.776976	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+2H"	2.014552
"1043246"	183.597176	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2H"	2.014552
"211147"	244.460476	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+3H"	3.021828
"651801"	366.187076	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+3H"	3.021828
"1175399"	122.733876	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+3H"	3.021828
"434297"	748.393423	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+NH4"	18.033823
"795293"	1113.573223	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+NH4"	18.033823
"1688343"	383.213623	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+NH4"	18.033823
"338809"	374.7003495	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+H+NH4"	19.041099
"735241"	557.2902495	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+H+NH4"	19.041099
"1479579"	192.1104495	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H+NH4"	19.041099
"394611"	753.348818	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+Na"	22.989218
"756343"	1118.528618	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+Na"	22.989218
"1613931"	388.169018	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Na"	22.989218
"326885"	377.178047	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+H+Na"	23.996494
"718939"	559.767947	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+H+Na"	23.996494
"1473486"	194.588147	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H+Na"	23.996494
"1065516"	130.06119	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2H+Na"	25.00377
"1269147"	398.213286	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+CH3OH+H"	33.033486
"392773"	769.322758	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+K"	38.963158
"753456"	1134.502558	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+K"	38.963158
"1551132"	404.142958	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+K"	38.963158
"313049"	385.165017	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+H+K"	39.970434
"704375"	567.754917	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+H+K"	39.970434
"1457828"	202.575117	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H+K"	39.970434
"245339"	772.393426	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+ACN+H"	42.033826
"1212946"	407.213626	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+ACN+H"	42.033826
"1195733"	204.110451	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+ACN+2H"	43.041102
"191155"	775.33076	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+2Na-H"	44.97116
"630715"	1140.51056	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+2Na-H"	44.97116
"1132276"	410.15096	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2Na-H"	44.97116
"178240"	388.169018	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+2Na"	45.978436
"615977"	570.758918	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+2Na"	45.978436
"1116239"	205.579118	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2Na"	45.978436
"1400818"	137.388504	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H+2Na"	46.985712
"1430178"	412.192546	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H+HCOOH"	47.012746
"229563"	393.20204	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+3H2O+2H"	56.04448
"1512159"	426.24459	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+IsoProp+H"	61.06479
"410022"	396.155988	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+Na+K"	61.952376
"778674"	578.745888	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+Na+K"	61.952376
"1676829"	213.566088	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Na+K"	61.952376
"263345"	794.375368	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+ACN+Na"	64.015768
"1234958"	429.195568	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+ACN+Na"	64.015768
"1716190"	429.219093	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+NH4+HCOOH"	64.039293
"1183733"	144.715818	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+3Na"	68.967654
"1655814"	434.174488	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Na+HCOOH"	68.994688
"165955"	807.27864	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+2K-H"	76.91904
"603328"	1172.45844	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+2K-H"	76.91904
"1088933"	442.09884	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2K-H"	76.91904
"155236"	404.142958	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"2M+2K"	77.926316
"591877"	586.732858	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"3M+2K"	77.926316
"1075296"	221.553058	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2K"	77.926316
"1101214"	444.113392	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2K+H"	78.933592
"1335616"	444.201007	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+DMSO+H"	79.021207
"1006247"	448.240176	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2ACN+H"	83.060376
"1524620"	449.233808	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+IsoProp+Na+H"	84.054008
"990454"	224.623726	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+2ACN+2H"	84.067652
"1587386"	450.148428	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+K+HCOOH"	84.968628
"1415966"	480.179938	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+H+CF3COOH"	115.000138
"1147592"	245.137001	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+3ACN+2H"	125.094202
"1700188"	497.206485	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+NH4+CF3COOH"	132.026685
"1635109"	502.16188	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+Na+CF3COOH"	136.98208
"1580239"	518.13582	"C17582"	"2-N-Acetylparomamine"	"C14H27N3O8"	"365.1798"	"M+K+CF3COOH"	152.95602
"809510"	321.1536	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M"	0
"985230"	302.13521	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-H2O-H"	-19.01839
"75299"	213.095124	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M-3H"	-3.021828
"516316"	320.146324	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M-3H"	-3.021828
"890838"	106.043924	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-3H"	-3.021828
"10506"	320.146324	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M-2H"	-2.014552
"448973"	480.723124	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M-2H"	-2.014552
"821303"	159.569524	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-2H"	-2.014552
"81293"	641.299924	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M-H"	-1.007276
"520854"	962.453524	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M-H"	-1.007276
"898290"	320.146324	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-H"	-1.007276
"51203"	658.326471	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M-2H+NH4"	16.019271
"494777"	979.480071	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M-2H+NH4"	16.019271
"868204"	337.172871	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-2H+NH4"	16.019271
"37197"	663.281866	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M-2H+Na"	20.974666
"476754"	984.435466	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M-2H+Na"	20.974666
"850548"	342.128266	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-2H+Na"	20.974666
"1623004"	342.128266	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Na-2H"	20.974666
"95887"	338.134663	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M-H+Cl"	33.962126
"538005"	498.711463	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M-H+Cl"	33.962126
"941005"	177.557863	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-H+Cl"	33.962126
"281629"	677.276602	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+Cl"	34.969402
"674662"	998.430202	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+Cl"	34.969402
"1287798"	356.123002	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Cl"	34.969402
"28404"	679.255806	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M-2H+K"	36.948606
"465777"	1000.409406	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M-2H+K"	36.948606
"844674"	358.102206	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-2H+K"	36.948606
"1564885"	358.102206	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+K-2H"	36.948606
"949489"	366.151794	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-H+HCOOH"	44.998194
"371711"	687.305401	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+HCOOH-H"	44.998201
"354867"	701.321051	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+Hac-H"	59.013851
"1501511"	380.167451	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Hac-H"	59.013851
"964678"	388.133751	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-H+NaCOOH"	66.980151
"117959"	356.123002	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+2Cl"	69.938804
"561529"	516.699802	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+2Cl"	69.938804
"1028508"	195.546202	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2Cl"	69.938804
"1248091"	400.072485	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Br"	78.918885
"1317100"	402.128472	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Cl+HCOOH"	80.974872
"1331316"	424.110429	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Cl+NaCOOH"	102.956829
"919094"	434.139186	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M-H+CF3COOH"	112.985586
"1295803"	470.115864	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Cl+CF3COOH"	148.962264
"1381989"	286.140924	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H-2H2O"	-35.012676
"1397301"	304.1509	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H-H2O"	-17.0027
"298200"	643.314476	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+H"	1.007276
"687946"	964.468076	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+H"	1.007276
"1362106"	322.160876	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H"	1.007276
"132809"	322.160876	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+2H"	2.014552
"571275"	482.737676	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+2H"	2.014552
"1043357"	161.584076	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2H"	2.014552
"207977"	215.109676	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+3H"	3.021828
"647536"	322.160876	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+3H"	3.021828
"1175509"	108.058476	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+3H"	3.021828
"436593"	660.341023	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+NH4"	18.033823
"795403"	981.494623	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+NH4"	18.033823
"1688453"	339.187423	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+NH4"	18.033823
"338919"	330.6741495	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+H+NH4"	19.041099
"734620"	491.2509495	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+H+NH4"	19.041099
"1480418"	170.0973495	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H+NH4"	19.041099
"395087"	665.296418	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+Na"	22.989218
"755726"	986.450018	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+Na"	22.989218
"1615134"	344.142818	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Na"	22.989218
"327604"	333.151847	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+H+Na"	23.996494
"720871"	493.728647	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+H+Na"	23.996494
"1473596"	172.575047	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H+Na"	23.996494
"1065747"	115.38579	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2H+Na"	25.00377
"1267800"	354.187086	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+CH3OH+H"	33.033486
"391844"	681.270358	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+K"	38.963158
"751015"	1002.423958	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+K"	38.963158
"1552702"	360.116758	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+K"	38.963158
"313524"	341.138817	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+H+K"	39.970434
"704485"	501.715617	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+H+K"	39.970434
"1459031"	180.562017	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H+K"	39.970434
"243262"	684.341026	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+ACN+H"	42.033826
"1213054"	363.187426	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+ACN+H"	42.033826
"1195479"	182.097351	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+ACN+2H"	43.041102
"193088"	687.27836	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+2Na-H"	44.97116
"628916"	1008.43196	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+2Na-H"	44.97116
"1131898"	366.12476	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2Na-H"	44.97116
"175434"	344.142818	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+2Na"	45.978436
"616087"	504.719618	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+2Na"	45.978436
"1117770"	183.566018	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2Na"	45.978436
"1400199"	122.713104	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H+2Na"	46.985712
"1430735"	368.166346	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H+HCOOH"	47.012746
"227486"	349.17584	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+3H2O+2H"	56.04448
"1512267"	382.21839	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+IsoProp+H"	61.06479
"411225"	352.129788	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+Na+K"	61.952376
"778420"	512.706588	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+Na+K"	61.952376
"1674750"	191.552988	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Na+K"	61.952376
"262359"	706.322968	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+ACN+Na"	64.015768
"1230694"	385.169368	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+ACN+Na"	64.015768
"1719580"	385.192893	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+NH4+HCOOH"	64.039293
"1186028"	130.040418	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+3Na"	68.967654
"1655924"	390.148288	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Na+HCOOH"	68.994688
"167158"	719.22624	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+2K-H"	76.91904
"604531"	1040.37984	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+2K-H"	76.91904
"1089043"	398.07264	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2K-H"	76.91904
"153884"	360.116758	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"2M+2K"	77.926316
"591987"	520.693558	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"3M+2K"	77.926316
"1072126"	199.539958	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2K"	77.926316
"1101203"	400.087192	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2K+H"	78.933592
"1335804"	400.174807	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+DMSO+H"	79.021207
"1005701"	404.213976	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2ACN+H"	83.060376
"1524238"	405.207608	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+IsoProp+Na+H"	84.054008
"990199"	202.610626	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+2ACN+2H"	84.067652
"1587048"	406.122228	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+K+HCOOH"	84.968628
"1414176"	436.153738	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+H+CF3COOH"	115.000138
"1147078"	223.123901	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+3ACN+2H"	125.094202
"1699205"	453.180285	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+NH4+CF3COOH"	132.026685
"1639229"	458.13568	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+Na+CF3COOH"	136.98208
"1580349"	474.10962	"C17583"	"6-Dehydro-6-oxoparomamine;6-Dehydroparomamine;6-Oxoparomamine"	"C12H23N3O7"	"321.1536"	"M+K+CF3COOH"	152.95602
"809620"	454.2275	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M"	0
"988261"	435.20911	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-H2O-H"	-19.01839
"76867"	301.811057333333	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M-3H"	-3.021828
"515335"	453.220224	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M-3H"	-3.021828
"893137"	150.401890666667	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-3H"	-3.021828
"10616"	453.220224	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M-2H"	-2.014552
"451269"	680.333974	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M-2H"	-2.014552
"825786"	226.106474	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-2H"	-2.014552
"81767"	907.447724	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M-H"	-1.007276
"526431"	1361.675224	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M-H"	-1.007276
"903139"	453.220224	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-H"	-1.007276
"49856"	924.474271	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M-2H+NH4"	16.019271
"492701"	1378.701771	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M-2H+NH4"	16.019271
"868313"	470.246771	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-2H+NH4"	16.019271
"34755"	929.429666	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M-2H+Na"	20.974666
"476865"	1383.657166	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M-2H+Na"	20.974666
"851024"	475.202166	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-2H+Na"	20.974666
"1620560"	475.202166	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Na-2H"	20.974666
"96724"	471.208563	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M-H+Cl"	33.962126
"539210"	698.322313	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M-H+Cl"	33.962126
"941115"	244.094813	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-H+Cl"	33.962126
"280037"	943.424402	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+Cl"	34.969402
"675228"	1397.651902	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+Cl"	34.969402
"1288027"	489.196902	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Cl"	34.969402
"30580"	945.403606	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M-2H+K"	36.948606
"468074"	1399.631106	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M-2H+K"	36.948606
"842598"	491.176106	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-2H+K"	36.948606
"1562804"	491.176106	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+K-2H"	36.948606
"950690"	499.225694	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-H+HCOOH"	44.998194
"371095"	953.453201	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+HCOOH-H"	44.998201
"356070"	967.468851	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+Hac-H"	59.013851
"1499438"	513.241351	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Hac-H"	59.013851
"968796"	521.207651	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-H+NaCOOH"	66.980151
"120254"	489.196902	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+2Cl"	69.938804
"559816"	716.310652	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+2Cl"	69.938804
"1027525"	262.083152	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2Cl"	69.938804
"1247108"	533.146385	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Br"	78.918885
"1313930"	535.202372	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Cl+HCOOH"	80.974872
"1327051"	557.184329	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Cl+NaCOOH"	102.956829
"917017"	567.213086	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M-H+CF3COOH"	112.985586
"1295913"	603.189764	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Cl+CF3COOH"	148.962264
"1380642"	419.214824	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H-2H2O"	-35.012676
"1396681"	437.2248	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H-H2O"	-17.0027
"297095"	909.462276	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+H"	1.007276
"688057"	1363.689776	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+H"	1.007276
"1362218"	455.234776	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H"	1.007276
"131828"	455.234776	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+2H"	2.014552
"574667"	682.348526	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+2H"	2.014552
"1047841"	228.121026	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2H"	2.014552
"208088"	303.825609333333	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+3H"	3.021828
"648741"	455.234776	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+3H"	3.021828
"1173432"	152.416442666667	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+3H"	3.021828
"431235"	926.488823	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+NH4"	18.033823
"793325"	1380.716323	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+NH4"	18.033823
"1689657"	472.261323	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+NH4"	18.033823
"337934"	463.7480495	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+H+NH4"	19.041099
"731450"	690.8617995	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+H+NH4"	19.041099
"1478342"	236.6342995	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H+NH4"	19.041099
"394835"	931.444218	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+Na"	22.989218
"757295"	1385.671718	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+Na"	22.989218
"1614151"	477.216718	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Na"	22.989218
"327469"	466.225747	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+H+Na"	23.996494
"720616"	693.339497	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+H+Na"	23.996494
"1476582"	239.111997	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H+Na"	23.996494
"1064765"	159.743756666667	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2H+Na"	25.00377
"1269367"	487.260986	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+CH3OH+H"	33.033486
"391954"	947.418158	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+K"	38.963158
"753840"	1401.645658	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+K"	38.963158
"1553540"	493.190658	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+K"	38.963158
"313718"	474.212717	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+H+K"	39.970434
"705688"	701.326467	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+H+K"	39.970434
"1459507"	247.098967	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H+K"	39.970434
"246288"	950.488826	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+ACN+H"	42.033826
"1212070"	496.261326	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+ACN+H"	42.033826
"1197777"	248.634301	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+ACN+2H"	43.041102
"190647"	953.42616	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+2Na-H"	44.97116
"629477"	1407.65366	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+2Na-H"	44.97116
"1132738"	499.19866	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2Na-H"	44.97116
"175180"	477.216718	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+2Na"	45.978436
"614617"	704.330468	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+2Na"	45.978436
"1119340"	250.102968	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2Na"	45.978436
"1408696"	167.071070666667	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H+2Na"	46.985712
"1432062"	501.240246	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H+HCOOH"	47.012746
"226503"	482.24974	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+3H2O+2H"	56.04448
"1512377"	515.29229	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+IsoProp+H"	61.06479
"411335"	485.203688	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+Na+K"	61.952376
"778894"	712.317438	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+Na+K"	61.952376
"1675953"	258.089938	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Na+K"	61.952376
"261376"	972.470768	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+ACN+Na"	64.015768
"1234084"	518.243268	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+ACN+Na"	64.015768
"1719690"	518.266793	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+NH4+HCOOH"	64.039293
"1182858"	174.398384666667	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+3Na"	68.967654
"1656034"	523.222188	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Na+HCOOH"	68.994688
"166175"	985.37404	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+2K-H"	76.91904
"604641"	1439.60154	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+2K-H"	76.91904
"1090246"	531.14654	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2K-H"	76.91904
"150349"	493.190658	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"2M+2K"	77.926316
"588815"	720.304408	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"3M+2K"	77.926316
"1075517"	266.076908	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2K"	77.926316
"1106539"	533.161092	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2K+H"	78.933592
"1336242"	533.248707	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+DMSO+H"	79.021207
"1006590"	537.287876	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2ACN+H"	83.060376
"1524637"	538.281508	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+IsoProp+Na+H"	84.054008
"990547"	269.147576	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+2ACN+2H"	84.067652
"1588344"	539.196128	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+K+HCOOH"	84.968628
"1414403"	569.227638	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+H+CF3COOH"	115.000138
"1147051"	289.660851	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+3ACN+2H"	125.094202
"1698950"	586.254185	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+NH4+CF3COOH"	132.026685
"1636059"	591.20958	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+Na+CF3COOH"	136.98208
"1579366"	607.18352	"C17584"	"Xylostasin"	"C17H34N4O10"	"454.2275"	"M+K+CF3COOH"	152.95602
"809730"	555.2752	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M"	0
"988372"	536.25681	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-H2O-H"	-19.01839
"77707"	369.176190666667	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M-3H"	-3.021828
"516175"	554.267924	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M-3H"	-3.021828
"893249"	184.084457333333	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-3H"	-3.021828
"10727"	554.267924	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M-2H"	-2.014552
"451379"	831.905524	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M-2H"	-2.014552
"828084"	276.630324	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-2H"	-2.014552
"82242"	1109.543124	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M-H"	-1.007276
"527637"	1664.818324	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M-H"	-1.007276
"901064"	554.267924	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-H"	-1.007276
"49240"	1126.569671	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M-2H+NH4"	16.019271
"493905"	1681.844871	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M-2H+NH4"	16.019271
"867695"	571.294471	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-2H+NH4"	16.019271
"32315"	1131.525066	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M-2H+Na"	20.974666
"472966"	1686.800266	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M-2H+Na"	20.974666
"850042"	576.249866	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-2H+Na"	20.974666
"1620670"	576.249866	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Na-2H"	20.974666
"96834"	572.256263	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M-H+Cl"	33.962126
"540414"	849.893863	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M-H+Cl"	33.962126
"941952"	294.618663	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-H+Cl"	33.962126
"282216"	1145.519802	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+Cl"	34.969402
"673662"	1700.795002	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+Cl"	34.969402
"1284973"	590.244602	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Cl"	34.969402
"30569"	1147.499006	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M-2H+K"	36.948606
"467092"	1702.774206	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M-2H+K"	36.948606
"844893"	592.223806	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-2H+K"	36.948606
"1566194"	592.223806	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+K-2H"	36.948606
"951893"	600.273394	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-H+HCOOH"	44.998194
"372294"	1155.548601	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+HCOOH-H"	44.998201
"355087"	1169.564251	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+Hac-H"	59.013851
"1505378"	614.289051	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Hac-H"	59.013851
"968177"	622.255351	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-H+NaCOOH"	66.980151
"117085"	590.244602	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+2Cl"	69.938804
"557739"	867.882202	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+2Cl"	69.938804
"1030915"	312.607002	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2Cl"	69.938804
"1247218"	634.194085	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Br"	78.918885
"1315135"	636.250072	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Cl+HCOOH"	80.974872
"1330443"	658.232029	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Cl+NaCOOH"	102.956829
"920406"	668.260786	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M-H+CF3COOH"	112.985586
"1300396"	704.237464	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Cl+CF3COOH"	148.962264
"1380749"	520.262524	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H-2H2O"	-35.012676
"1396425"	538.2725	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H-H2O"	-17.0027
"296840"	1111.557676	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+H"	1.007276
"689991"	1666.832876	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+H"	1.007276
"1365854"	556.282476	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H"	1.007276
"133032"	556.282476	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+2H"	2.014552
"574777"	833.920076	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+2H"	2.014552
"1046858"	278.644876	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2H"	2.014552
"210385"	371.190742666667	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+3H"	3.021828
"651038"	556.282476	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+3H"	3.021828
"1171354"	186.099009333333	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+3H"	3.021828
"430252"	1128.584223	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+NH4"	18.033823
"794528"	1683.859423	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+NH4"	18.033823
"1689767"	573.309023	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+NH4"	18.033823
"340231"	564.7957495	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+H+NH4"	19.041099
"731559"	842.4333495	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+H+NH4"	19.041099
"1481368"	287.1581495	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H+NH4"	19.041099
"396769"	1133.539618	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+Na"	22.989218
"757405"	1688.814818	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+Na"	22.989218
"1614261"	578.264418	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Na"	22.989218
"326122"	567.273447	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+H+Na"	23.996494
"717810"	844.911047	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+H+Na"	23.996494
"1470537"	289.635847	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H+Na"	23.996494
"1063782"	193.426323333333	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2H+Na"	25.00377
"1270936"	588.308686	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+CH3OH+H"	33.033486
"392761"	1149.513558	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+K"	38.963158
"754176"	1704.788758	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+K"	38.963158
"1553650"	594.238358	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+K"	38.963158
"313745"	575.260417	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+H+K"	39.970434
"706892"	852.898017	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+H+K"	39.970434
"1459617"	297.622817	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H+K"	39.970434
"246763"	1152.584226	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+ACN+H"	42.033826
"1212911"	597.309026	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+ACN+H"	42.033826
"1197156"	299.158151	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+ACN+2H"	43.041102
"192213"	1155.52156	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+2Na-H"	44.97116
"629461"	1710.79676	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+2Na-H"	44.97116
"1132969"	600.24636	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2Na-H"	44.97116
"175168"	578.264418	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+2Na"	45.978436
"614727"	855.902018	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+2Na"	45.978436
"1118235"	300.626818	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2Na"	45.978436
"1410262"	200.753637333333	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H+2Na"	46.985712
"1433632"	602.287946	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H+HCOOH"	47.012746
"226613"	583.29744	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+3H2O+2H"	56.04448
"1514673"	616.33999	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+IsoProp+H"	61.06479
"413267"	586.251388	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+Na+K"	61.952376
"778640"	863.888988	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+Na+K"	61.952376
"1676063"	308.613788	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Na+K"	61.952376
"260393"	1174.566168	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+ACN+Na"	64.015768
"1230914"	619.290968	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+ACN+Na"	64.015768
"1719800"	619.314493	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+NH4+HCOOH"	64.039293
"1180780"	208.080951333333	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+3Na"	68.967654
"1657235"	624.269888	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Na+HCOOH"	68.994688
"163004"	1187.46944	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+2K-H"	76.91904
"603658"	1742.74464	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+2K-H"	76.91904
"1089263"	632.19424	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2K-H"	76.91904
"150459"	594.238358	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"2M+2K"	77.926316
"591111"	871.875958	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"3M+2K"	77.926316
"1078907"	316.600758	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2K"	77.926316
"1111752"	634.208792	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2K+H"	78.933592
"1336714"	634.296407	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+DMSO+H"	79.021207
"1006208"	638.335576	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2ACN+H"	83.060376
"1525435"	639.329208	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+IsoProp+Na+H"	84.054008
"990298"	319.671426	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+2ACN+2H"	84.067652
"1587599"	640.243828	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+K+HCOOH"	84.968628
"1414469"	670.275338	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+H+CF3COOH"	115.000138
"1149867"	340.184701	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+3ACN+2H"	125.094202
"1699789"	687.301885	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+NH4+CF3COOH"	132.026685
"1635075"	692.25728	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+Na+CF3COOH"	136.98208
"1579476"	708.23122	"C17585"	"Butirosin A"	"C21H41N5O12"	"555.2752"	"M+K+CF3COOH"	152.95602
"816827"	555.2752	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M"	0
"988482"	536.25681	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-H2O-H"	-19.01839
"77087"	369.176190666667	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M-3H"	-3.021828
"517379"	554.267924	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M-3H"	-3.021828
"894453"	184.084457333333	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-3H"	-3.021828
"11931"	554.267924	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M-2H"	-2.014552
"451489"	831.905524	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M-2H"	-2.014552
"823822"	276.630324	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-2H"	-2.014552
"83813"	1109.543124	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M-H"	-1.007276
"524467"	1664.818324	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M-H"	-1.007276
"904453"	554.267924	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-H"	-1.007276
"49350"	1126.569671	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M-2H+NH4"	16.019271
"494014"	1681.844871	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M-2H+NH4"	16.019271
"866712"	571.294471	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-2H+NH4"	16.019271
"32423"	1131.525066	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M-2H+Na"	20.974666
"473439"	1686.800266	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M-2H+Na"	20.974666
"850150"	576.249866	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-2H+Na"	20.974666
"1620048"	576.249866	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Na-2H"	20.974666
"95851"	572.256263	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M-H+Cl"	33.962126
"540524"	849.893863	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M-H+Cl"	33.962126
"941334"	294.618663	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-H+Cl"	33.962126
"281352"	1145.519802	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+Cl"	34.969402
"673772"	1700.795002	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+Cl"	34.969402
"1283989"	590.244602	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Cl"	34.969402
"26549"	1147.499006	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M-2H+K"	36.948606
"463921"	1702.774206	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M-2H+K"	36.948606
"841723"	592.223806	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-2H+K"	36.948606
"1563024"	592.223806	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+K-2H"	36.948606
"954190"	600.273394	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-H+HCOOH"	44.998194
"372404"	1155.548601	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+HCOOH-H"	44.998201
"357383"	1169.564251	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+Hac-H"	59.013851
"1505852"	614.289051	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Hac-H"	59.013851
"968287"	622.255351	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-H+NaCOOH"	66.980151
"116102"	590.244602	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+2Cl"	69.938804
"555662"	867.882202	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+2Cl"	69.938804
"1027745"	312.607002	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2Cl"	69.938804
"1247328"	634.194085	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Br"	78.918885
"1316338"	636.250072	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Cl+HCOOH"	80.974872
"1330553"	658.232029	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Cl+NaCOOH"	102.956829
"918330"	668.260786	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M-H+CF3COOH"	112.985586
"1299413"	704.237464	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Cl+CF3COOH"	148.962264
"1378672"	520.262524	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H-2H2O"	-35.012676
"1396169"	538.2725	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H-H2O"	-17.0027
"297679"	1111.557676	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+H"	1.007276
"688278"	1666.832876	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+H"	1.007276
"1358066"	556.282476	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H"	1.007276
"130226"	556.282476	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+2H"	2.014552
"573793"	833.920076	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+2H"	2.014552
"1041865"	278.644876	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2H"	2.014552
"210496"	371.190742666667	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+3H"	3.021828
"651148"	556.282476	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+3H"	3.021828
"1174744"	186.099009333333	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+3H"	3.021828
"429268"	1128.584223	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+NH4"	18.033823
"789170"	1683.859423	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+NH4"	18.033823
"1686595"	573.309023	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+NH4"	18.033823
"334873"	564.7957495	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+H+NH4"	19.041099
"727293"	842.4333495	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+H+NH4"	19.041099
"1480385"	287.1581495	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H+NH4"	19.041099
"396148"	1133.539618	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+Na"	22.989218
"757515"	1688.814818	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+Na"	22.989218
"1616193"	578.264418	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Na"	22.989218
"325502"	567.273447	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+H+Na"	23.996494
"715733"	844.911047	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+H+Na"	23.996494
"1471740"	289.635847	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H+Na"	23.996494
"1064985"	193.426323333333	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2H+Na"	25.00377
"1272146"	588.308686	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+CH3OH+H"	33.033486
"392667"	1149.513558	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+K"	38.963158
"754163"	1704.788758	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+K"	38.963158
"1555426"	594.238358	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+K"	38.963158
"314237"	575.260417	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+H+K"	39.970434
"706845"	852.898017	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+H+K"	39.970434
"1457540"	297.622817	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H+K"	39.970434
"246145"	1152.584226	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+ACN+H"	42.033826
"1215572"	597.309026	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+ACN+H"	42.033826
"1197266"	299.158151	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+ACN+2H"	43.041102
"190502"	1155.52156	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+2Na-H"	44.97116
"629452"	1710.79676	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+2Na-H"	44.97116
"1132472"	600.24636	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2Na-H"	44.97116
"177221"	578.264418	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+2Na"	45.978436
"616052"	855.902018	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+2Na"	45.978436
"1118831"	300.626818	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2Na"	45.978436
"1409279"	200.753637333333	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H+2Na"	46.985712
"1437022"	602.287946	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H+HCOOH"	47.012746
"226723"	583.29744	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+3H2O+2H"	56.04448
"1513690"	616.33999	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+IsoProp+H"	61.06479
"412284"	586.251388	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+Na+K"	61.952376
"779843"	863.888988	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+Na+K"	61.952376
"1676173"	308.613788	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Na+K"	61.952376
"260503"	1174.566168	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+ACN+Na"	64.015768
"1231024"	619.290968	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+ACN+Na"	64.015768
"1719910"	619.314493	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+NH4+HCOOH"	64.039293
"1183078"	208.080951333333	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+3Na"	68.967654
"1656251"	624.269888	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Na+HCOOH"	68.994688
"166394"	1187.46944	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+2K-H"	76.91904
"603767"	1742.74464	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+2K-H"	76.91904
"1090466"	632.19424	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2K-H"	76.91904
"149475"	594.238358	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"2M+2K"	77.926316
"591221"	871.875958	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"3M+2K"	77.926316
"1079018"	316.600758	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2K"	77.926316
"1112226"	634.208792	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2K+H"	78.933592
"1336828"	634.296407	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+DMSO+H"	79.021207
"1006203"	638.335576	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2ACN+H"	83.060376
"1525791"	639.329208	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+IsoProp+Na+H"	84.054008
"990526"	319.671426	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+2ACN+2H"	84.067652
"1587345"	640.243828	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+K+HCOOH"	84.968628
"1415437"	670.275338	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+H+CF3COOH"	115.000138
"1148883"	340.184701	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+3ACN+2H"	125.094202
"1699534"	687.301885	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+NH4+CF3COOH"	132.026685
"1639560"	692.25728	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+Na+CF3COOH"	136.98208
"1579586"	708.23122	"C17586"	"Butirosin B"	"C21H41N5O12"	"555.2752"	"M+K+CF3COOH"	152.95602
"809950"	657.3069	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M"	0
"988953"	638.28851	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-H2O-H"	-19.01839
"77445"	437.197324	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M-3H"	-3.021828
"516761"	656.299624	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M-3H"	-3.021828
"893470"	218.095024	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-3H"	-3.021828
"12040"	656.299624	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M-2H"	-2.014552
"451599"	984.953074	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M-2H"	-2.014552
"823932"	327.646174	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-2H"	-2.014552
"83923"	1313.606524	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M-H"	-1.007276
"523484"	1970.913424	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M-H"	-1.007276
"902377"	656.299624	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-H"	-1.007276
"49096"	1330.633071	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M-2H+NH4"	16.019271
"491938"	1987.939971	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M-2H+NH4"	16.019271
"865121"	673.326171	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-2H+NH4"	16.019271
"32413"	1335.588466	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M-2H+Na"	20.974666
"473912"	1992.895366	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M-2H+Na"	20.974666
"849207"	678.281566	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-2H+Na"	20.974666
"1620156"	678.281566	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Na-2H"	20.974666
"94665"	674.287963	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M-H+Cl"	33.962126
"540632"	1002.941413	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M-H+Cl"	33.962126
"941079"	345.634513	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-H+Cl"	33.962126
"281461"	1349.583202	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+Cl"	34.969402
"673883"	2006.890102	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+Cl"	34.969402
"1285557"	692.276302	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Cl"	34.969402
"24471"	1351.562406	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M-2H+K"	36.948606
"464031"	2008.869306	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M-2H+K"	36.948606
"841833"	694.255506	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-2H+K"	36.948606
"1563134"	694.255506	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+K-2H"	36.948606
"952112"	702.305094	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-H+HCOOH"	44.998194
"371421"	1359.612001	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+HCOOH-H"	44.998201
"356400"	1373.627651	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+Hac-H"	59.013851
"1505234"	716.320751	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Hac-H"	59.013851
"968397"	724.287051	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-H+NaCOOH"	66.980151
"118398"	692.276302	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+2Cl"	69.938804
"555772"	1020.929752	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+2Cl"	69.938804
"1025668"	363.622852	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2Cl"	69.938804
"1249625"	736.225785	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Br"	78.918885
"1318635"	738.281772	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Cl+HCOOH"	80.974872
"1331756"	760.263729	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Cl+NaCOOH"	102.956829
"919533"	770.292486	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M-H+CF3COOH"	112.985586
"1299523"	806.269164	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Cl+CF3COOH"	148.962264
"1377689"	622.294224	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H-2H2O"	-35.012676
"1395551"	640.3042	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H-H2O"	-17.0027
"295967"	1315.621076	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+H"	1.007276
"688388"	1972.927976	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+H"	1.007276
"1358176"	658.314176	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H"	1.007276
"129972"	658.314176	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+2H"	2.014552
"571717"	986.967626	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+2H"	2.014552
"1039788"	329.660726	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2H"	2.014552
"211699"	439.211876	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+3H"	3.021828
"647978"	658.314176	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+3H"	3.021828
"1171575"	220.109576	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+3H"	3.021828
"429378"	1332.647623	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+NH4"	18.033823
"788186"	1989.954523	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+NH4"	18.033823
"1682330"	675.340723	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+NH4"	18.033823
"330605"	666.8274495	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+H+NH4"	19.041099
"723758"	995.4808995	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+H+NH4"	19.041099
"1479766"	338.1739995	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H+NH4"	19.041099
"393339"	1337.603018	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+Na"	22.989218
"757625"	1994.909918	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+Na"	22.989218
"1615210"	680.296118	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Na"	22.989218
"325612"	669.305147	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+H+Na"	23.996494
"718030"	997.958597	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+H+Na"	23.996494
"1474037"	340.651697	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H+Na"	23.996494
"1065095"	227.43689	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2H+Na"	25.00377
"1272580"	690.340386	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+CH3OH+H"	33.033486
"392332"	1353.576958	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+K"	38.963158
"754054"	2010.883858	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+K"	38.963158
"1554601"	696.270058	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+K"	38.963158
"313599"	677.292117	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+H+K"	39.970434
"706791"	1005.945567	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+H+K"	39.970434
"1457285"	348.638667	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H+K"	39.970434
"246983"	1356.647626	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+ACN+H"	42.033826
"1214224"	699.340726	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+ACN+H"	42.033826
"1198469"	350.174001	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+ACN+2H"	43.041102
"189275"	1359.58496	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+2Na-H"	44.97116
"628791"	2016.89186	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+2Na-H"	44.97116
"1132947"	702.27806	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2Na-H"	44.97116
"176241"	680.296118	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+2Na"	45.978436
"615070"	1008.949568	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+2Na"	45.978436
"1118213"	351.642668	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2Na"	45.978436
"1409389"	234.764204	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H+2Na"	46.985712
"1437132"	704.319646	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H+HCOOH"	47.012746
"225737"	685.32914	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+3H2O+2H"	56.04448
"1512707"	718.37169	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+IsoProp+H"	61.06479
"411301"	688.283088	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+Na+K"	61.952376
"776673"	1016.936538	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+Na+K"	61.952376
"1674094"	359.629638	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Na+K"	61.952376
"255145"	1378.629568	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+ACN+Na"	64.015768
"1227854"	721.322668	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+ACN+Na"	64.015768
"1714553"	721.346193	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+NH4+HCOOH"	64.039293
"1181364"	242.091518	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+3Na"	68.967654
"1651377"	726.301588	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Na+HCOOH"	68.994688
"159211"	1391.53284	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+2K-H"	76.91904
"603877"	2048.83974	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+2K-H"	76.91904
"1088388"	734.22594	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2K-H"	76.91904
"148492"	696.270058	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"2M+2K"	77.926316
"589143"	1024.923508	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"3M+2K"	77.926316
"1078764"	367.616608	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2K"	77.926316
"1111972"	736.240492	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2K+H"	78.933592
"1336693"	736.328107	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+DMSO+H"	79.021207
"1006313"	740.367276	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2ACN+H"	83.060376
"1527724"	741.360908	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+IsoProp+Na+H"	84.054008
"990400"	370.687276	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+2ACN+2H"	84.067652
"1587456"	742.275528	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+K+HCOOH"	84.968628
"1414233"	772.307038	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+H+CF3COOH"	115.000138
"1150088"	391.200551	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+3ACN+2H"	125.094202
"1699645"	789.333585	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+NH4+CF3COOH"	132.026685
"1638577"	794.28898	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+Na+CF3COOH"	136.98208
"1579696"	810.26292	"C17587"	"2-N-Acetyl-6-deamino-6-hydroxyneomycin C"	"C25H47N5O15"	"657.3069"	"M+K+CF3COOH"	152.95602
"810060"	615.2963	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M"	0
"987970"	596.27791	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-H2O-H"	-19.01839
"77806"	409.190257333333	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M-3H"	-3.021828
"518214"	614.289024	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M-3H"	-3.021828
"894429"	204.091490666667	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-3H"	-3.021828
"14336"	614.289024	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M-2H"	-2.014552
"452439"	921.937174	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M-2H"	-2.014552
"825135"	306.640874	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-2H"	-2.014552
"85126"	1229.585324	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M-H"	-1.007276
"523594"	1844.881624	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M-H"	-1.007276
"901393"	614.289024	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-H"	-1.007276
"49206"	1246.611871	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M-2H+NH4"	16.019271
"489861"	1861.908171	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M-2H+NH4"	16.019271
"866200"	631.315571	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-2H+NH4"	16.019271
"33371"	1251.567266	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M-2H+Na"	20.974666
"475118"	1866.863566	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M-2H+Na"	20.974666
"851100"	636.270966	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-2H+Na"	20.974666
"1620632"	636.270966	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Na-2H"	20.974666
"94856"	632.277363	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M-H+Cl"	33.962126
"540742"	939.925513	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M-H+Cl"	33.962126
"940945"	324.629213	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-H+Cl"	33.962126
"281936"	1265.562002	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+Cl"	34.969402
"674729"	1880.858302	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+Cl"	34.969402
"1288351"	650.265702	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Cl"	34.969402
"29564"	1267.541206	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M-2H+K"	36.948606
"461953"	1882.837506	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M-2H+K"	36.948606
"838663"	652.244906	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-2H+K"	36.948606
"1562151"	652.244906	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+K-2H"	36.948606
"948941"	660.294494	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-H+HCOOH"	44.998194
"371167"	1275.590801	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+HCOOH-H"	44.998201
"357603"	1289.606451	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+Hac-H"	59.013851
"1506802"	674.310151	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Hac-H"	59.013851
"963040"	682.276451	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-H+NaCOOH"	66.980151
"116323"	650.265702	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+2Cl"	69.938804
"559165"	957.913852	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+2Cl"	69.938804
"1025778"	342.617552	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2Cl"	69.938804
"1253744"	694.215185	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Br"	78.918885
"1317651"	696.271172	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Cl+HCOOH"	80.974872
"1333931"	718.253129	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Cl+NaCOOH"	102.956829
"920736"	728.281886	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M-H+CF3COOH"	112.985586
"1297446"	764.258564	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Cl+CF3COOH"	148.962264
"1381077"	580.283624	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H-2H2O"	-35.012676
"1396386"	598.2936	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H-H2O"	-17.0027
"297172"	1231.599876	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+H"	1.007276
"688499"	1846.896176	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+H"	1.007276
"1362660"	616.303576	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H"	1.007276
"131176"	616.303576	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+2H"	2.014552
"574015"	923.951726	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+2H"	2.014552
"1043909"	308.655426	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2H"	2.014552
"217277"	411.204809333333	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+3H"	3.021828
"648452"	616.303576	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+3H"	3.021828
"1169498"	206.106042666667	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+3H"	3.021828
"432769"	1248.626423	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+NH4"	18.033823
"791578"	1863.922723	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+NH4"	18.033823
"1686086"	633.330123	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+NH4"	18.033823
"333634"	624.8168495	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+H+NH4"	19.041099
"727149"	932.4649995	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+H+NH4"	19.041099
"1482429"	317.1686995	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H+NH4"	19.041099
"397098"	1253.581818	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+Na"	22.989218
"757735"	1868.878118	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+Na"	22.989218
"1616048"	638.285518	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Na"	22.989218
"327180"	627.294547	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+H+Na"	23.996494
"720208"	934.942697	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+H+Na"	23.996494
"1474514"	319.646397	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H+Na"	23.996494
"1066664"	213.433356666667	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2H+Na"	25.00377
"1271634"	648.329786	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+CH3OH+H"	33.033486
"392402"	1269.555758	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+K"	38.963158
"753637"	1884.852058	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+K"	38.963158
"1554347"	654.259458	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+K"	38.963158
"314051"	635.281517	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+H+K"	39.970434
"705644"	942.929667	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+H+K"	39.970434
"1460316"	327.633367	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H+K"	39.970434
"248917"	1272.626426	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+ACN+H"	42.033826
"1218706"	657.330126	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+ACN+H"	42.033826
"1197486"	329.168701	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+ACN+2H"	43.041102
"190723"	1275.56376	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+2Na-H"	44.97116
"637209"	1890.86006	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+2Na-H"	44.97116
"1137435"	660.26746	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2Na-H"	44.97116
"184005"	638.285518	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+2Na"	45.978436
"622473"	945.933668	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+2Na"	45.978436
"1127072"	330.637368	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2Na"	45.978436
"1409501"	220.760670666667	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H+2Na"	46.985712
"1435056"	662.309046	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H+HCOOH"	47.012746
"225847"	643.31854	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+3H2O+2H"	56.04448
"1516098"	676.36109	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+IsoProp+H"	61.06479
"414691"	646.272488	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+Na+K"	61.952376
"778970"	953.920638	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+Na+K"	61.952376
"1673113"	338.624338	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Na+K"	61.952376
"261816"	1294.608368	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+ACN+Na"	64.015768
"1235619"	679.312068	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+ACN+Na"	64.015768
"1721223"	679.335593	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+NH4+HCOOH"	64.039293
"1183298"	228.087984666667	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+3Na"	68.967654
"1651730"	684.290988	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Na+HCOOH"	68.994688
"161508"	1307.51164	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+2K-H"	76.91904
"606174"	1922.80794	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+2K-H"	76.91904
"1090685"	692.21534	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2K-H"	76.91904
"150061"	654.259458	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"2M+2K"	77.926316
"591440"	961.907608	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"3M+2K"	77.926316
"1080335"	346.611308	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2K"	77.926316
"1113909"	694.229892	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2K+H"	78.933592
"1341181"	694.317507	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+DMSO+H"	79.021207
"1012989"	698.356676	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2ACN+H"	83.060376
"1530022"	699.350308	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+IsoProp+Na+H"	84.054008
"998656"	349.681976	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+2ACN+2H"	84.067652
"1594252"	700.264928	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+K+HCOOH"	84.968628
"1417727"	730.296438	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+H+CF3COOH"	115.000138
"1151292"	370.195251	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+3ACN+2H"	125.094202
"1700850"	747.322985	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+NH4+CF3COOH"	132.026685
"1638687"	752.27838	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+Na+CF3COOH"	136.98208
"1579806"	768.25232	"C17588"	"6-Deamino-6-hydroxyneomycin C;6-Hydroxyneomycin C;Neomycin Y2"	"C23H45N5O14"	"615.2963"	"M+K+CF3COOH"	152.95602
"810170"	613.2807	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M"	0
"984801"	594.26231	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-H2O-H"	-19.01839
"77417"	407.846524	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M-3H"	-3.021828
"515884"	612.273424	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M-3H"	-3.021828
"895105"	203.419624	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-3H"	-3.021828
"14082"	612.273424	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M-2H"	-2.014552
"451820"	918.913774	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M-2H"	-2.014552
"827431"	305.633074	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-2H"	-2.014552
"85236"	1225.554124	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M-H"	-1.007276
"526983"	1838.834824	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M-H"	-1.007276
"896764"	612.273424	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-H"	-1.007276
"47367"	1242.580671	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M-2H+NH4"	16.019271
"492159"	1855.861371	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M-2H+NH4"	16.019271
"865707"	629.299971	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-2H+NH4"	16.019271
"32265"	1247.536066	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M-2H+Na"	20.974666
"472679"	1860.816766	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M-2H+Na"	20.974666
"851572"	634.255366	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-2H+Na"	20.974666
"1621468"	634.255366	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Na-2H"	20.974666
"95815"	630.261763	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M-H+Cl"	33.962126
"539759"	936.902113	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M-H+Cl"	33.962126
"940932"	323.621413	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-H+Cl"	33.962126
"282289"	1261.530802	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+Cl"	34.969402
"673990"	1874.811502	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+Cl"	34.969402
"1287733"	648.250102	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Cl"	34.969402
"30646"	1263.510006	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M-2H+K"	36.948606
"462063"	1876.790706	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M-2H+K"	36.948606
"837680"	650.229306	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-2H+K"	36.948606
"1561168"	650.229306	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+K-2H"	36.948606
"947958"	658.278894	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-H+HCOOH"	44.998194
"374193"	1271.559601	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+HCOOH-H"	44.998201
"355526"	1285.575251	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+Hac-H"	59.013851
"1505453"	672.294551	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Hac-H"	59.013851
"960961"	680.260851	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-H+NaCOOH"	66.980151
"116433"	648.250102	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+2Cl"	69.938804
"559275"	954.890452	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+2Cl"	69.938804
"1024795"	341.609752	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2Cl"	69.938804
"1250938"	692.199585	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Br"	78.918885
"1317760"	694.255572	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Cl+HCOOH"	80.974872
"1331975"	716.237529	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Cl+NaCOOH"	102.956829
"920846"	726.266286	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M-H+CF3COOH"	112.985586
"1298649"	762.242964	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Cl+CF3COOH"	148.962264
"1381186"	578.268024	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H-2H2O"	-35.012676
"1397589"	596.278	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H-H2O"	-17.0027
"297278"	1227.568676	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+H"	1.007276
"689337"	1840.849376	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+H"	1.007276
"1362770"	614.287976	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H"	1.007276
"131285"	614.287976	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+2H"	2.014552
"570115"	920.928326	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+2H"	2.014552
"1044019"	307.647626	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2H"	2.014552
"211921"	409.861076	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+3H"	3.021828
"648562"	614.287976	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+3H"	3.021828
"1169606"	205.434176	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+3H"	3.021828
"428868"	1244.595223	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+NH4"	18.033823
"789135"	1857.875923	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+NH4"	18.033823
"1684372"	631.314523	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+NH4"	18.033823
"331434"	622.8012495	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+H+NH4"	19.041099
"727259"	929.4415995	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+H+NH4"	19.041099
"1480348"	316.1608995	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H+NH4"	19.041099
"397207"	1249.550618	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+Na"	22.989218
"758938"	1862.831318	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+Na"	22.989218
"1615790"	636.269918	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Na"	22.989218
"326927"	625.278947	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+H+Na"	23.996494
"720438"	931.919297	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+H+Na"	23.996494
"1474988"	318.638597	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H+Na"	23.996494
"1066775"	212.76149	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2H+Na"	25.00377
"1271622"	646.314186	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+CH3OH+H"	33.033486
"392511"	1265.524558	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+K"	38.963158
"754116"	1878.805258	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+K"	38.963158
"1554700"	652.243858	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+K"	38.963158
"313826"	633.265917	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+H+K"	39.970434
"706483"	939.906267	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+H+K"	39.970434
"1460791"	326.625567	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H+K"	39.970434
"247570"	1268.595226	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+ACN+H"	42.033826
"1215536"	655.314526	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+ACN+H"	42.033826
"1197231"	328.160901	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+ACN+2H"	43.041102
"190469"	1271.53256	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+2Na-H"	44.97116
"637319"	1884.81326	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+2Na-H"	44.97116
"1143012"	658.25186	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2Na-H"	44.97116
"185208"	636.269918	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+2Na"	45.978436
"622583"	942.910268	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+2Na"	45.978436
"1123902"	329.629568	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2Na"	45.978436
"1412891"	220.088804	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H+2Na"	46.985712
"1436259"	660.293446	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H+HCOOH"	47.012746
"225957"	641.30294	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+3H2O+2H"	56.04448
"1517301"	674.34549	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+IsoProp+H"	61.06479
"416987"	644.256888	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+Na+K"	61.952376
"779080"	950.897238	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+Na+K"	61.952376
"1674316"	337.616538	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Na+K"	61.952376
"261926"	1290.577168	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+ACN+Na"	64.015768
"1235729"	677.296468	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+ACN+Na"	64.015768
"1720240"	677.319993	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+NH4+HCOOH"	64.039293
"1183408"	227.416118	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+3Na"	68.967654
"1652570"	682.275388	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Na+HCOOH"	68.994688
"162348"	1303.48044	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+2K-H"	76.91904
"608471"	1916.76114	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+2K-H"	76.91904
"1090065"	690.19974	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2K-H"	76.91904
"149799"	652.243858	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"2M+2K"	77.926316
"589359"	958.884208	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"3M+2K"	77.926316
"1080076"	345.603508	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2K"	77.926316
"1113290"	692.214292	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2K+H"	78.933592
"1346390"	692.301907	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+DMSO+H"	79.021207
"1014192"	696.341076	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2ACN+H"	83.060376
"1531225"	697.334708	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+IsoProp+Na+H"	84.054008
"997672"	348.674176	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+2ACN+2H"	84.067652
"1592175"	698.249328	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+K+HCOOH"	84.968628
"1417837"	728.280838	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+H+CF3COOH"	115.000138
"1151766"	369.187451	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+3ACN+2H"	125.094202
"1700960"	745.307385	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+NH4+CF3COOH"	132.026685
"1638797"	750.26278	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+Na+CF3COOH"	136.98208
"1579916"	766.23672	"C17589"	"6-Deamino-6-oxoneomycin C;6-Oxoneomycin C;6-Deamino-6-dehydro-6-oxoneomycin C"	"C23H43N5O14"	"613.2807"	"M+K+CF3COOH"	152.95602
"812467"	290.079	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M"	0
"988920"	271.06061	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-H2O-H"	-19.01839
"78355"	192.378724	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M-3H"	-3.021828
"517938"	289.071724	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M-3H"	-3.021828
"895587"	95.685724	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-3H"	-3.021828
"14801"	289.071724	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H"	-2.014552
"453753"	434.111224	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H"	-2.014552
"827541"	144.032224	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H"	-2.014552
"86440"	579.150724	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M-H"	-1.007276
"529280"	869.229724	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M-H"	-1.007276
"902709"	289.071724	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-H"	-1.007276
"50522"	596.177271	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H+NH4"	16.019271
"491176"	886.256271	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H+NH4"	16.019271
"864479"	306.098271	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H+NH4"	16.019271
"32011"	601.132666	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H+Na"	20.974666
"473154"	891.211666	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H+Na"	20.974666
"850225"	311.053666	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H+Na"	20.974666
"1621581"	311.053666	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na-2H"	20.974666
"94871"	307.060063	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M-H+Cl"	33.962126
"538772"	452.099563	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M-H+Cl"	33.962126
"934477"	162.020563	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+Cl"	33.962126
"277408"	615.127402	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Cl"	34.969402
"675319"	905.206402	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+Cl"	34.969402
"1288208"	325.048402	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl"	34.969402
"29781"	617.106606	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M-2H+K"	36.948606
"465454"	907.185606	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M-2H+K"	36.948606
"836697"	327.027606	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-2H+K"	36.948606
"1562372"	327.027606	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+K-2H"	36.948606
"945881"	335.077194	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+HCOOH"	44.998194
"373575"	625.156201	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+HCOOH-H"	44.998201
"356365"	639.171851	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Hac-H"	59.013851
"1507387"	349.092851	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Hac-H"	59.013851
"962170"	357.059151	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+NaCOOH"	66.980151
"118731"	325.048402	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2Cl"	69.938804
"562666"	470.087902	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2Cl"	69.938804
"1029278"	180.008902	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2Cl"	69.938804
"1253964"	368.997885	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Br"	78.918885
"1317507"	371.053872	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl+HCOOH"	80.974872
"1334272"	393.035829	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl+NaCOOH"	102.956829
"924237"	403.064586	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M-H+CF3COOH"	112.985586
"1299854"	439.041264	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Cl+CF3COOH"	148.962264
"1380203"	255.066324	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H-2H2O"	-35.012676
"1394418"	273.0763	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H-H2O"	-17.0027
"290825"	581.165276	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H"	1.007276
"690416"	871.244276	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H"	1.007276
"1360696"	291.086276	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H"	1.007276
"138320"	291.086276	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2H"	2.014552
"569495"	436.125776	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2H"	2.014552
"1043034"	146.046776	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2H"	2.014552
"213122"	194.393276	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+3H"	3.021828
"652682"	291.086276	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+3H"	3.021828
"1166432"	97.700276	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+3H"	3.021828
"430800"	598.191823	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+NH4"	18.033823
"793985"	888.270823	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+NH4"	18.033823
"1688127"	308.112823	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+NH4"	18.033823
"334218"	299.5995495	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H+NH4"	19.041099
"728462"	444.6390495	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H+NH4"	19.041099
"1480093"	154.5600495	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+NH4"	19.041099
"396224"	603.147218	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Na"	22.989218
"757952"	893.226218	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+Na"	22.989218
"1610432"	313.068218	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na"	22.989218
"328489"	302.077247	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H+Na"	23.996494
"717264"	447.116747	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H+Na"	23.996494
"1466710"	157.037747	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+Na"	23.996494
"1055581"	105.02759	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2H+Na"	25.00377
"1272381"	323.112486	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+CH3OH+H"	33.033486
"392243"	619.121158	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+K"	38.963158
"753240"	909.200158	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+K"	38.963158
"1554930"	329.042158	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+K"	38.963158
"313934"	310.064217	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+H+K"	39.970434
"700514"	455.103717	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+H+K"	39.970434
"1459803"	165.024717	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+K"	39.970434
"248406"	622.191826	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+ACN+H"	42.033826
"1214556"	332.112826	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+ACN+H"	42.033826
"1197708"	166.560051	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+ACN+2H"	43.041102
"190943"	625.12916	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2Na-H"	44.97116
"637428"	915.20816	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2Na-H"	44.97116
"1140934"	335.05016	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2Na-H"	44.97116
"183131"	313.068218	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2Na"	45.978436
"620505"	458.107718	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2Na"	45.978436
"1124009"	168.028718	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2Na"	45.978436
"1409719"	112.354904	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+2Na"	46.985712
"1444023"	337.091746	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+HCOOH"	47.012746
"226068"	318.10124	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+3H2O+2H"	56.04448
"1518504"	351.14379	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+IsoProp+H"	61.06479
"417097"	321.055188	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+Na+K"	61.952376
"782472"	466.094688	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+Na+K"	61.952376
"1675520"	176.015688	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na+K"	61.952376
"260943"	644.173768	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+ACN+Na"	64.015768
"1236933"	354.094768	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+ACN+Na"	64.015768
"1718162"	354.118293	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+NH4+HCOOH"	64.039293
"1182423"	119.682218	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+3Na"	68.967654
"1653044"	359.073688	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na+HCOOH"	68.994688
"162822"	657.07704	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2K-H"	76.91904
"608581"	947.15604	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2K-H"	76.91904
"1095280"	366.99804	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2K-H"	76.91904
"152096"	329.042158	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"2M+2K"	77.926316
"588376"	474.081658	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"3M+2K"	77.926316
"1080550"	184.002658	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2K"	77.926316
"1114129"	369.012592	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2K+H"	78.933592
"1347229"	369.100207	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+DMSO+H"	79.021207
"1015393"	373.139376	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2ACN+H"	83.060376
"1533522"	374.133008	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+IsoProp+Na+H"	84.054008
"995595"	187.073326	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+2ACN+2H"	84.067652
"1592285"	375.047628	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+K+HCOOH"	84.968628
"1420133"	405.079138	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+H+CF3COOH"	115.000138
"1150783"	207.586601	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+3ACN+2H"	125.094202
"1704350"	422.105685	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+NH4+CF3COOH"	132.026685
"1640000"	427.06108	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+Na+CF3COOH"	136.98208
"1580026"	443.03502	"C17590"	"Catechin;(-)-Catechin"	"C15H14O6"	"290.079"	"M+K+CF3COOH"	152.95602
"810390"	327.1471	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M"	0
"988908"	308.12871	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-H2O-H"	-19.01839
"77880"	217.090790666667	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M-3H"	-3.021828
"517196"	326.139824	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M-3H"	-3.021828
"893905"	108.041757333333	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-3H"	-3.021828
"12478"	326.139824	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M-2H"	-2.014552
"453498"	489.713374	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M-2H"	-2.014552
"823280"	162.566274	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-2H"	-2.014552
"89833"	653.286924	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M-H"	-1.007276
"523925"	980.434024	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M-H"	-1.007276
"902821"	326.139824	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-H"	-1.007276
"50634"	670.313471	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M-2H+NH4"	16.019271
"487150"	997.460571	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M-2H+NH4"	16.019271
"864335"	343.166371	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-2H+NH4"	16.019271
"31521"	675.268866	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M-2H+Na"	20.974666
"471516"	1002.415966	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M-2H+Na"	20.974666
"849121"	348.121766	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-2H+Na"	20.974666
"1620598"	348.121766	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Na-2H"	20.974666
"94652"	344.128163	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M-H+Cl"	33.962126
"534354"	507.701713	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M-H+Cl"	33.962126
"928023"	180.554613	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-H+Cl"	33.962126
"276061"	689.263602	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+Cl"	34.969402
"675427"	1016.410702	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+Cl"	34.969402
"1287577"	362.116502	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Cl"	34.969402
"30011"	691.242806	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M-2H+K"	36.948606
"466292"	1018.389906	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M-2H+K"	36.948606
"836805"	364.095706	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-2H+K"	36.948606
"1560295"	364.095706	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+K-2H"	36.948606
"951457"	372.145294	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-H+HCOOH"	44.998194
"372954"	699.292401	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+HCOOH-H"	44.998201
"354650"	713.308051	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+Hac-H"	59.013851
"1503485"	386.160951	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Hac-H"	59.013851
"969935"	394.127251	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-H+NaCOOH"	66.980151
"115561"	362.116502	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+2Cl"	69.938804
"559496"	525.690052	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+2Cl"	69.938804
"1032671"	198.542952	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2Cl"	69.938804
"1245689"	406.065985	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Br"	78.918885
"1316888"	408.121972	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Cl+HCOOH"	80.974872
"1334382"	430.103929	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Cl+NaCOOH"	102.956829
"923253"	440.132686	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M-H+CF3COOH"	112.985586
"1302879"	476.109364	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Cl+CF3COOH"	148.962264
"1380313"	292.134424	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H-2H2O"	-35.012676
"1394528"	310.1444	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H-H2O"	-17.0027
"292028"	655.301476	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+H"	1.007276
"690405"	982.448576	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+H"	1.007276
"1362992"	328.154376	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H"	1.007276
"138794"	328.154376	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+2H"	2.014552
"569241"	491.727926	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+2H"	2.014552
"1044237"	164.580826	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2H"	2.014552
"212139"	219.105342666667	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+3H"	3.021828
"652792"	328.154376	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+3H"	3.021828
"1167271"	110.056309333333	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+3H"	3.021828
"431274"	672.328023	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+NH4"	18.033823
"793002"	999.475123	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+NH4"	18.033823
"1690425"	345.180923	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+NH4"	18.033823
"336151"	336.6676495	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+H+NH4"	19.041099
"728572"	500.2411995	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+H+NH4"	19.041099
"1480205"	173.0940995	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H+NH4"	19.041099
"397064"	677.283418	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+Na"	22.989218
"756969"	1004.430518	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+Na"	22.989218
"1610542"	350.136318	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Na"	22.989218
"323859"	339.145347	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+H+Na"	23.996494
"717374"	502.718897	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+H+Na"	23.996494
"1465727"	175.571797	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H+Na"	23.996494
"1055691"	117.383623333333	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2H+Na"	25.00377
"1270497"	360.180586	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+CH3OH+H"	33.033486
"392665"	693.257358	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+K"	38.963158
"753957"	1020.404458	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+K"	38.963158
"1555433"	366.110258	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+K"	38.963158
"314037"	347.132317	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+H+K"	39.970434
"700624"	510.705867	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+H+K"	39.970434
"1460520"	183.558767	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H+K"	39.970434
"248516"	696.328026	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+ACN+H"	42.033826
"1219035"	369.180926	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+ACN+H"	42.033826
"1197454"	185.094101	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+ACN+2H"	43.041102
"190689"	699.26536	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+2Na-H"	44.97116
"637538"	1026.41246	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+2Na-H"	44.97116
"1143230"	372.11826	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2Na-H"	44.97116
"185428"	350.136318	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+2Na"	45.978436
"623895"	513.709868	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+2Na"	45.978436
"1126306"	186.562768	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2Na"	45.978436
"1412625"	124.710937333333	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H+2Na"	46.985712
"1444499"	374.159846	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H+HCOOH"	47.012746
"229459"	355.16934	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+3H2O+2H"	56.04448
"1515699"	388.21189	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+IsoProp+H"	61.06479
"417207"	358.123288	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+Na+K"	61.952376
"781488"	521.696838	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+Na+K"	61.952376
"1676723"	194.549738	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Na+K"	61.952376
"261053"	718.309968	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+ACN+Na"	64.015768
"1237772"	391.162868	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+ACN+Na"	64.015768
"1715721"	391.186393	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+NH4+HCOOH"	64.039293
"1179859"	132.038251333333	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+3Na"	68.967654
"1652790"	396.141788	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Na+HCOOH"	68.994688
"160016"	731.21324	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+2K-H"	76.91904
"605411"	1058.36034	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+2K-H"	76.91904
"1091380"	404.06614	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2K-H"	76.91904
"148925"	366.110258	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"2M+2K"	77.926316
"587392"	529.683808	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"3M+2K"	77.926316
"1078108"	202.536708	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2K"	77.926316
"1107306"	406.080692	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2K+H"	78.933592
"1346610"	406.168307	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+DMSO+H"	79.021207
"1008942"	410.207476	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2ACN+H"	83.060376
"1532539"	411.201108	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+IsoProp+Na+H"	84.054008
"994612"	205.607376	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+2ACN+2H"	84.067652
"1592395"	412.115728	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+K+HCOOH"	84.968628
"1419150"	442.147238	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+H+CF3COOH"	115.000138
"1149800"	226.120651	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+3ACN+2H"	125.094202
"1704460"	459.173785	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+NH4+CF3COOH"	132.026685
"1640110"	464.12918	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+Na+CF3COOH"	136.98208
"1580136"	480.10312	"C17591"	"(S)-Corytuberine"	"C19H21NO4"	"327.1471"	"M+K+CF3COOH"	152.95602
"809407"	343.1784	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M"	0
"987317"	324.16001	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-H2O-H"	-19.01839
"76288"	227.778324	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M-3H"	-3.021828
"515849"	342.171124	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M-3H"	-3.021828
"892922"	113.385524	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-3H"	-3.021828
"11495"	342.171124	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M-2H"	-2.014552
"451056"	513.760324	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M-2H"	-2.014552
"824483"	170.581924	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-2H"	-2.014552
"87757"	685.349524	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M-H"	-1.007276
"524035"	1028.527924	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M-H"	-1.007276
"904024"	342.171124	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-H"	-1.007276
"51837"	702.376071	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M-2H+NH4"	16.019271
"487165"	1045.554471	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M-2H+NH4"	16.019271
"864450"	359.197671	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-2H+NH4"	16.019271
"32114"	707.331466	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M-2H+Na"	20.974666
"471794"	1050.509866	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M-2H+Na"	20.974666
"849717"	364.153066	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-2H+Na"	20.974666
"1620342"	364.153066	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Na-2H"	20.974666
"94563"	360.159463	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M-H+Cl"	33.962126
"534316"	531.748663	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M-H+Cl"	33.962126
"928133"	188.570263	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-H+Cl"	33.962126
"276171"	721.326202	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+Cl"	34.969402
"675622"	1064.504602	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+Cl"	34.969402
"1286351"	378.147802	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Cl"	34.969402
"28299"	723.305406	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M-2H+K"	36.948606
"466766"	1066.483806	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M-2H+K"	36.948606
"835821"	380.127006	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-2H+K"	36.948606
"1559310"	380.127006	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+K-2H"	36.948606
"951567"	388.176594	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-H+HCOOH"	44.998194
"373064"	731.355001	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+HCOOH-H"	44.998201
"354760"	745.370651	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+Hac-H"	59.013851
"1504322"	402.192251	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Hac-H"	59.013851
"966764"	410.158551	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-H+NaCOOH"	66.980151
"112391"	378.147802	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+2Cl"	69.938804
"557419"	549.737002	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+2Cl"	69.938804
"1035332"	206.558602	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2Cl"	69.938804
"1245798"	422.097285	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Br"	78.918885
"1318820"	424.153272	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Cl+HCOOH"	80.974872
"1333399"	446.135229	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Cl+NaCOOH"	102.956829
"923363"	456.163986	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M-H+CF3COOH"	112.985586
"1302260"	492.140664	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Cl+CF3COOH"	148.962264
"1377144"	308.165724	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H-2H2O"	-35.012676
"1392451"	326.1757	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H-H2O"	-17.0027
"288858"	687.364076	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+H"	1.007276
"687841"	1030.542476	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+H"	1.007276
"1364194"	344.185676	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H"	1.007276
"138904"	344.185676	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+2H"	2.014552
"577735"	515.774876	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+2H"	2.014552
"1044346"	172.596476	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2H"	2.014552
"213342"	229.792876	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+3H"	3.021828
"652901"	344.185676	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+3H"	3.021828
"1165922"	115.400076	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+3H"	3.021828
"431384"	704.390623	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+NH4"	18.033823
"791289"	1047.569023	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+NH4"	18.033823
"1689442"	361.212223	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+NH4"	18.033823
"335167"	352.6989495	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+H+NH4"	19.041099
"728317"	524.2881495	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+H+NH4"	19.041099
"1481045"	181.1097495	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H+NH4"	19.041099
"395712"	709.346018	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+Na"	22.989218
"758169"	1052.524418	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+Na"	22.989218
"1607370"	366.167618	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Na"	22.989218
"321782"	355.176647	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+H+Na"	23.996494
"716391"	526.765847	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+H+Na"	23.996494
"1464744"	183.587447	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H+Na"	23.996494
"1056894"	122.72739	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2H+Na"	25.00377
"1269879"	376.211886	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+CH3OH+H"	33.033486
"389546"	725.319958	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+K"	38.963158
"751272"	1068.498358	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+K"	38.963158
"1555583"	382.141558	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+K"	38.963158
"313906"	363.163617	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+H+K"	39.970434
"700734"	534.752817	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+H+K"	39.970434
"1456741"	191.574417	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H+K"	39.970434
"247532"	728.390626	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+ACN+H"	42.033826
"1215864"	385.212226	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+ACN+H"	42.033826
"1199751"	193.109751	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+ACN+2H"	43.041102
"190435"	731.32796	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+2Na-H"	44.97116
"632906"	1074.50636	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+2Na-H"	44.97116
"1137874"	388.14956	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2Na-H"	44.97116
"181164"	366.167618	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+2Na"	45.978436
"620725"	537.756818	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+2Na"	45.978436
"1127509"	194.578418	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2Na"	45.978436
"1412734"	130.054704	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H+2Na"	46.985712
"1443028"	390.191146	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H+HCOOH"	47.012746
"230662"	371.20064	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+3H2O+2H"	56.04448
"1516538"	404.24319	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+IsoProp+H"	61.06479
"417317"	374.154588	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+Na+K"	61.952376
"783055"	545.743788	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+Na+K"	61.952376
"1676833"	202.565388	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Na+K"	61.952376
"260070"	750.372568	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+ACN+Na"	64.015768
"1233874"	407.194168	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+ACN+Na"	64.015768
"1713765"	407.217693	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+NH4+HCOOH"	64.039293
"1179356"	137.382018	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+3Na"	68.967654
"1650468"	412.173088	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Na+HCOOH"	68.994688
"157574"	763.27584	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+2K-H"	76.91904
"602968"	1106.45424	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+2K-H"	76.91904
"1090760"	420.09744	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2K-H"	76.91904
"149035"	382.141558	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"2M+2K"	77.926316
"586409"	553.730758	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"3M+2K"	77.926316
"1077125"	210.552358	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2K"	77.926316
"1107416"	422.111992	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2K+H"	78.933592
"1347813"	422.199607	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+DMSO+H"	79.021207
"1009052"	426.238776	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2ACN+H"	83.060376
"1532649"	427.232408	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+IsoProp+Na+H"	84.054008
"995815"	213.623026	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+2ACN+2H"	84.067652
"1592505"	428.147028	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+K+HCOOH"	84.968628
"1419260"	458.178538	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+H+CF3COOH"	115.000138
"1148817"	234.136301	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+3ACN+2H"	125.094202
"1704570"	475.205085	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+NH4+CF3COOH"	132.026685
"1640220"	480.16048	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+Na+CF3COOH"	136.98208
"1580246"	496.13442	"C17592"	"Laudanine"	"C20H25NO4"	"343.1784"	"M+K+CF3COOH"	152.95602
"809517"	368.1736	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M"	0
"989826"	349.15521	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"78515"	244.441790666667	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"518479"	367.166324	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"893031"	121.717257333333	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"12698"	367.166324	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"452259"	551.253124	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"826780"	183.079524	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"90054"	735.339924	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"526332"	1103.513524	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"905228"	367.166324	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"54134"	752.366471	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"493694"	1120.540071	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"869308"	384.192871	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"33927"	757.321866	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"474580"	1125.495466	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"850437"	389.148266	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1619969"	389.148266	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"95161"	385.154663	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"534845"	569.241463	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"928364"	201.067863	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"273363"	771.316602	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"675162"	1139.490202	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1286703"	403.143002	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"29260"	773.295806	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"464690"	1141.469406	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"837025"	405.122206	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1565981"	405.122206	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"950584"	413.171794	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"376697"	781.345401	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"354871"	795.361051	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1504797"	427.187451	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"969061"	435.153751	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"113959"	403.143002	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"556436"	587.229802	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1036778"	219.056202	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1248094"	447.092485	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1317836"	449.148472	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1330228"	471.130429	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"924567"	481.159186	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1302370"	517.135864	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1372878"	333.160924	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1393655"	351.1709	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"294434"	737.354476	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"687951"	1105.528076	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1365394"	369.180876	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"138285"	369.180876	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"578940"	553.267676	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1044456"	185.094076	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"216733"	246.456342666667	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"655197"	369.180876	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1169314"	123.731809333333	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"433317"	754.381023	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"795409"	1122.554623	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1690646"	386.207423	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"334914"	377.6941495	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"728430"	561.7809495	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1478361"	193.6073495	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"396554"	759.336418	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"761559"	1127.510018	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1606386"	391.162818	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"322985"	380.171847	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"714314"	564.258647	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1465946"	196.085047	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1057004"	131.059123333333	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1269261"	401.207086	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"389657"	775.310358	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"752111"	1143.483958	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1552710"	407.136758	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"311343"	388.158817	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"700844"	572.245617	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1454663"	204.072017	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"246549"	778.381026	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1219256"	410.207426	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1195852"	205.607351	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"191638"	781.31836	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"632290"	1149.49196	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1141264"	413.14476	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"183460"	391.162818	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"619741"	575.249618	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1123245"	207.076018	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1412845"	138.386437333333	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1443259"	415.186346	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"228585"	396.19584	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1516648"	429.23839	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"418520"	399.149788	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"782800"	583.236588	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1678036"	215.062988	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"262366"	800.362968	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1236169"	432.189368	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1715941"	432.212893	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1178590"	145.713751333333	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1655561"	437.168288	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"158048"	813.26624	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"606359"	1181.43984	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1091599"	445.09264	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"145864"	407.136758	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"587612"	591.223558	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1080150"	223.049958	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1111901"	447.107192	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1347923"	447.194807	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1010255"	451.233976	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1530566"	452.227608	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"997015"	226.120626	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1592615"	453.142228	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1420463"	483.173738	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1149657"	246.633901	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1704680"	500.200285	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1639237"	505.15568	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1580356"	521.12962	"C17593"	"Uncarine A"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"809627"	368.1736	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M"	0
"988631"	349.15521	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"76872"	244.441790666667	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"517528"	367.166324	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"892777"	121.717257333333	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"12444"	367.166324	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"452370"	551.253124	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"826890"	183.079524	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"90164"	735.339924	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"526442"	1103.513524	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"905338"	367.166324	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"54244"	752.366471	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"490525"	1120.540071	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"868326"	384.192871	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"37318"	757.321866	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"481249"	1125.495466	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"857959"	389.148266	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1625304"	389.148266	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"95638"	385.154663	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"537025"	569.241463	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"929446"	201.067863	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"271287"	771.316602	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"666987"	1139.490202	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1283775"	403.143002	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"28519"	773.295806	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"464799"	1141.469406	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"843696"	405.122206	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1560623"	405.122206	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"953974"	413.171794	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"374375"	781.345401	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"356803"	795.361051	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1505269"	427.187451	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"966983"	435.153751	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"120265"	403.143002	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"560554"	587.229802	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1034820"	219.056202	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1251482"	447.092485	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1317212"	449.148472	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1324867"	471.130429	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"918117"	481.159186	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1300294"	517.135864	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1377358"	333.160924	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1394855"	351.1709	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"295635"	737.354476	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"689149"	1105.528076	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1366231"	369.180876	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"137295"	369.180876	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"579044"	553.267676	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1048942"	185.094076	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"215748"	246.456342666667	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"656399"	369.180876	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1175620"	123.731809333333	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"433423"	754.381023	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"792233"	1122.554623	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1691847"	386.207423	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"339033"	377.6941495	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"729632"	561.7809495	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1483088"	193.6073495	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"394112"	759.336418	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"764949"	1127.510018	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1607589"	391.162818	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"322002"	380.171847	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"714424"	564.258647	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1467149"	196.085047	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1062583"	131.059123333333	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1269371"	401.207086	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"390860"	775.310358	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"752585"	1143.483958	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1553791"	407.136758	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"312545"	388.158817	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"698767"	572.245617	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1456960"	204.072017	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"241193"	778.381026	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1221554"	410.207426	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1198879"	205.607351	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"190654"	781.31836	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"633494"	1149.49196	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1143561"	413.14476	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"185757"	391.162818	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"624225"	575.249618	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1124449"	207.076018	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1412955"	138.386437333333	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1440089"	415.186346	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"226508"	396.19584	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1514570"	429.23839	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"413890"	399.149788	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"777443"	583.236588	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1675957"	215.062988	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"257007"	800.362968	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1227529"	432.189368	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1713496"	432.212893	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1178565"	145.713751333333	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1650324"	437.168288	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"159981"	813.26624	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"598814"	1181.43984	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1088793"	445.09264	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"143058"	407.136758	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"585535"	591.223558	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1078073"	223.049958	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1107636"	447.107192	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1341837"	447.194807	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1007570"	451.233976	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1528489"	452.227608	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"994938"	226.120626	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1593814"	453.142228	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1418386"	483.173738	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1148308"	246.633901	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1705883"	500.200285	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1638253"	505.15568	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1580466"	521.12962	"C17594"	"Uncarine B;Formosamine"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"810830"	368.1736	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M"	0
"988740"	349.15521	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"75889"	244.441790666667	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"517273"	367.166324	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"892887"	121.717257333333	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"10732"	367.166324	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"452479"	551.253124	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"827000"	183.079524	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"89180"	735.339924	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"526552"	1103.513524	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"906541"	367.166324	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"54354"	752.366471	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"491728"	1120.540071	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"871716"	384.192871	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"37428"	757.321866	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"481359"	1125.495466	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"855881"	389.148266	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1624321"	389.148266	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"95384"	385.154663	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"536406"	569.241463	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"928705"	201.067863	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"273583"	771.316602	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"668190"	1139.490202	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1286922"	403.143002	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"29237"	773.295806	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"467095"	1141.469406	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"843806"	405.122206	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1561826"	405.122206	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"954084"	413.171794	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"374485"	781.345401	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"357277"	795.361051	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1505743"	427.187451	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"963812"	435.153751	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"116001"	403.143002	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"559934"	587.229802	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1028734"	219.056202	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1251591"	447.092485	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1314039"	449.148472	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1327162"	471.130429	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"918227"	481.159186	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1301497"	517.135864	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1377468"	333.160924	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1393872"	351.1709	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"295745"	737.354476	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"687073"	1105.528076	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1365248"	369.180876	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"137405"	369.180876	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"576968"	553.267676	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1047958"	185.094076	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"214765"	246.456342666667	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"656509"	369.180876	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1172450"	123.731809333333	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"432440"	754.381023	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"793436"	1122.554623	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1691957"	386.207423	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"336956"	377.6941495	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"730472"	561.7809495	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1483198"	193.6073495	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"395315"	759.336418	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"765059"	1127.510018	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1607700"	391.162818	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"321019"	380.171847	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"715627"	564.258647	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1469448"	196.085047	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1065248"	131.059123333333	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1270573"	401.207086	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"387690"	775.310358	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"751238"	1143.483958	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1554385"	407.136758	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"313630"	388.158817	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"706535"	572.245617	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1458165"	204.072017	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"242396"	778.381026	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1219477"	410.207426	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1198989"	205.607351	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"190764"	781.31836	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"634697"	1149.49196	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1144765"	413.14476	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"185867"	391.162818	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"624335"	575.249618	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1126745"	207.076018	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1413185"	138.386437333333	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1438012"	415.186346	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"224432"	396.19584	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1514679"	429.23839	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"413271"	399.149788	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"777553"	583.236588	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1673881"	215.062988	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"257117"	800.362968	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1228732"	432.189368	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1713973"	432.212893	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1179445"	145.713751333333	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1651040"	437.168288	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"160091"	813.26624	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"597580"	1181.43984	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1088539"	445.09264	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"142317"	407.136758	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"585645"	591.223558	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1078547"	223.049958	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1110662"	447.107192	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1341947"	447.194807	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1009382"	451.233976	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1529692"	452.227608	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"991767"	226.120626	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1592830"	453.142228	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1417403"	483.173738	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1148054"	246.633901	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1704900"	500.200285	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1639456"	505.15568	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1580576"	521.12962	"C17595"	"Uncarine C"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"810940"	368.1736	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M"	0
"989831"	349.15521	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"78379"	244.441790666667	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"518115"	367.166324	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"895518"	121.717257333333	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"14488"	367.166324	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"454049"	551.253124	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"830026"	183.079524	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"91113"	735.339924	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"526662"	1103.513524	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"906651"	367.166324	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"53371"	752.366471	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"494025"	1120.540071	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"871826"	384.192871	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"37538"	757.321866	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"482563"	1125.495466	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"857085"	389.148266	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1630991"	389.148266	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"96585"	385.154663	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"535421"	569.241463	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"931853"	201.067863	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"272600"	771.316602	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"668300"	1139.490202	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1286183"	403.143002	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"28740"	773.295806	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"470001"	1141.469406	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"844646"	405.122206	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1563029"	405.122206	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"955288"	413.171794	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"373503"	781.345401	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"357387"	795.361051	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1505124"	427.187451	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"967199"	435.153751	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"116108"	403.143002	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"558950"	587.229802	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1034311"	219.056202	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1256076"	447.092485	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1316339"	449.148472	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1334443"	471.130429	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"927021"	481.159186	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1301607"	517.135864	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1375391"	333.160924	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1393981"	351.1709	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"295855"	737.354476	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"687183"	1105.528076	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1366836"	369.180876	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"136422"	369.180876	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"580358"	553.267676	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1050983"	185.094076	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"217061"	246.456342666667	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"655526"	369.180876	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1172560"	123.731809333333	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"433643"	754.381023	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"794639"	1122.554623	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1689879"	386.207423	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"337064"	377.6941495	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"730581"	561.7809495	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1487680"	193.6073495	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"395426"	759.336418	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"759700"	1127.510018	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1614374"	391.162818	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"326597"	380.171847	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"721573"	564.258647	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1473570"	196.085047	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1065356"	131.059123333333	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1272701"	401.207086	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"392057"	775.310358	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"753869"	1143.483958	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1555231"	407.136758	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"314216"	388.158817	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"706650"	572.245617	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1460101"	204.072017	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"249067"	778.381026	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1220681"	410.207426	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1202380"	205.607351	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"193063"	781.31836	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"639182"	1149.49196	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1146889"	413.14476	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"188251"	391.162818	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"626997"	575.249618	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1128314"	207.076018	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1414072"	138.386437333333	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1440309"	415.186346	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"225999"	396.19584	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1514789"	429.23839	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"412652"	399.149788	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"783130"	583.236588	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1676178"	215.062988	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"260510"	800.362968	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1228842"	432.189368	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1714448"	432.212893	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1180167"	145.713751333333	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1651881"	437.168288	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"163481"	813.26624	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"598180"	1181.43984	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1090472"	445.09264	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"148381"	407.136758	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"589035"	591.223558	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1078657"	223.049958	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1111136"	447.107192	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1342057"	447.194807	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1009492"	451.233976	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1529802"	452.227608	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"990413"	226.120626	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1594034"	453.142228	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1417513"	483.173738	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1149257"	246.633901	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1706103"	500.200285	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1640659"	505.15568	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1580686"	521.12962	"C17596"	"Uncarine D;Speciophylline"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"809957"	368.1736	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M"	0
"985677"	349.15521	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"76838"	244.441790666667	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"516762"	367.166324	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"893472"	121.717257333333	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"9859"	367.166324	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"451241"	551.253124	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"827220"	183.079524	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"91588"	735.339924	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"526772"	1103.513524	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"899106"	367.166324	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"51293"	752.366471	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"491948"	1120.540071	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"866468"	384.192871	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"37648"	757.321866	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"484133"	1125.495466	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"858288"	389.148266	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1630008"	389.148266	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"107629"	385.154663	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"537354"	569.241463	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"934149"	201.067863	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"270518"	771.316602	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"668410"	1139.490202	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1287024"	403.143002	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"27754"	773.295806	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"466222"	1141.469406	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"848036"	405.122206	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1567513"	405.122206	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"955398"	413.171794	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"372519"	781.345401	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"357497"	795.361051	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1506328"	427.187451	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"967309"	435.153751	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"116218"	403.143002	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"561247"	587.229802	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1034422"	219.056202	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1256186"	447.092485	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1317542"	449.148472	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1331757"	471.130429	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"925740"	481.159186	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1302446"	517.135864	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1377688"	333.160924	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1394091"	351.1709	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"294872"	737.354476	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"687293"	1105.528076	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1364739"	369.180876	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"135439"	369.180876	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"577188"	553.267676	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1049270"	185.094076	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"217168"	246.456342666667	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"650169"	369.180876	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1171576"	123.731809333333	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"428287"	754.381023	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"791469"	1122.554623	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1689989"	386.207423	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"336081"	377.6941495	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"729598"	561.7809495	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1487790"	193.6073495	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"396629"	759.336418	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"758717"	1127.510018	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1617768"	391.162818	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"325980"	380.171847	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"720954"	564.258647	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1474044"	196.085047	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1064738"	131.059123333333	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1272723"	401.207086	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"390463"	775.310358	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"753660"	1143.483958	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1555348"	407.136758	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"314142"	388.158817	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"706560"	572.245617	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1460454"	204.072017	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"249906"	778.381026	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1220791"	410.207426	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1205770"	205.607351	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"194266"	781.31836	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"638199"	1149.49196	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1147021"	413.14476	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"188455"	391.162818	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"627471"	575.249618	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1128059"	207.076018	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1414149"	138.386437333333	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1437139"	415.186346	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"225745"	396.19584	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1512713"	429.23839	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"411304"	399.149788	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"783240"	583.236588	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1677381"	215.062988	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"259527"	800.362968	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1226036"	432.189368	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1714194"	432.212893	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1178977"	145.713751333333	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1652356"	437.168288	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"158124"	813.26624	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"597927"	1181.43984	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1088395"	445.09264	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"149585"	407.136758	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"590238"	591.223558	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1078767"	223.049958	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1110518"	447.107192	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1342167"	447.194807	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1009602"	451.233976	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1531006"	452.227608	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"994174"	226.120626	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1596331"	453.142228	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1417986"	483.173738	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1148638"	246.633901	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1705120"	500.200285	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1638583"	505.15568	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1580796"	521.12962	"C17597"	"Uncarine E"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"810067"	368.1736	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M"	0
"986880"	349.15521	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-H2O-H"	-19.01839
"77879"	244.441790666667	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M-3H"	-3.021828
"517480"	367.166324	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M-3H"	-3.021828
"894919"	121.717257333333	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-3H"	-3.021828
"14585"	367.166324	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M-2H"	-2.014552
"451714"	551.253124	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M-2H"	-2.014552
"826966"	183.079524	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-2H"	-2.014552
"90604"	735.339924	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M-H"	-1.007276
"527975"	1103.513524	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M-H"	-1.007276
"901402"	367.166324	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-H"	-1.007276
"52496"	752.366471	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M-2H+NH4"	16.019271
"487926"	1120.540071	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M-2H+NH4"	16.019271
"865484"	384.192871	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-2H+NH4"	16.019271
"37757"	757.321866	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M-2H+Na"	20.974666
"476223"	1125.495466	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M-2H+Na"	20.974666
"850745"	389.148266	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-2H+Na"	20.974666
"1621371"	389.148266	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Na-2H"	20.974666
"95714"	385.154663	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M-H+Cl"	33.962126
"538557"	569.241463	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M-H+Cl"	33.962126
"930977"	201.067863	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-H+Cl"	33.962126
"270628"	771.316602	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+Cl"	34.969402
"666330"	1139.490202	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+Cl"	34.969402
"1287254"	403.143002	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Cl"	34.969402
"29445"	773.295806	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M-2H+K"	36.948606
"466330"	1141.469406	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M-2H+K"	36.948606
"845227"	405.122206	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-2H+K"	36.948606
"1568716"	405.122206	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+K-2H"	36.948606
"954412"	413.171794	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-H+HCOOH"	44.998194
"373726"	781.345401	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+HCOOH-H"	44.998201
"357608"	795.361051	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+Hac-H"	59.013851
"1504982"	427.187451	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Hac-H"	59.013851
"963043"	435.153751	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-H+NaCOOH"	66.980151
"116328"	403.143002	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+2Cl"	69.938804
"556981"	587.229802	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+2Cl"	69.938804
"1035261"	219.056202	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2Cl"	69.938804
"1255933"	447.092485	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Br"	78.918885
"1317653"	449.148472	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Cl+HCOOH"	80.974872
"1332960"	471.130429	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Cl+NaCOOH"	102.956829
"920744"	481.159186	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M-H+CF3COOH"	112.985586
"1298544"	517.135864	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Cl+CF3COOH"	148.962264
"1378891"	333.160924	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H-2H2O"	-35.012676
"1396390"	351.1709	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H-H2O"	-17.0027
"297412"	737.354476	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+H"	1.007276
"688495"	1105.528076	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+H"	1.007276
"1364849"	369.180876	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H"	1.007276
"137735"	369.180876	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+2H"	2.014552
"578391"	553.267676	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+2H"	2.014552
"1048287"	185.094076	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2H"	2.014552
"216915"	246.456342666667	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+3H"	3.021828
"652465"	369.180876	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+3H"	3.021828
"1170592"	123.731809333333	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+3H"	3.021828
"427303"	754.381023	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+NH4"	18.033823
"793766"	1122.554623	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+NH4"	18.033823
"1691191"	386.207423	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+NH4"	18.033823
"338377"	377.6941495	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+H+NH4"	19.041099
"734078"	561.7809495	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+H+NH4"	19.041099
"1484620"	193.6073495	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H+NH4"	19.041099
"398925"	759.336418	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+Na"	22.989218
"758828"	1127.510018	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+Na"	22.989218
"1605836"	391.162818	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Na"	22.989218
"325361"	380.171847	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+H+Na"	23.996494
"721064"	564.258647	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+H+Na"	23.996494
"1474154"	196.085047	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H+Na"	23.996494
"1063390"	131.059123333333	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2H+Na"	25.00377
"1272002"	401.207086	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+CH3OH+H"	33.033486
"388751"	775.310358	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+K"	38.963158
"754166"	1143.483958	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+K"	38.963158
"1555373"	407.136758	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+K"	38.963158
"314004"	388.158817	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+H+K"	39.970434
"705778"	572.245617	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+H+K"	39.970434
"1459959"	204.072017	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H+K"	39.970434
"250503"	778.381026	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+ACN+H"	42.033826
"1220901"	410.207426	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+ACN+H"	42.033826
"1205880"	205.607351	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+ACN+2H"	43.041102
"193283"	781.31836	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+2Na-H"	44.97116
"643050"	1149.49196	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+2Na-H"	44.97116
"1146884"	413.14476	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2Na-H"	44.97116
"188025"	391.162818	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+2Na"	45.978436
"626125"	575.249618	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+2Na"	45.978436
"1128169"	207.076018	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2Na"	45.978436
"1413519"	138.386437333333	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H+2Na"	46.985712
"1440529"	415.186346	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H+HCOOH"	47.012746
"223668"	396.19584	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+3H2O+2H"	56.04448
"1511730"	429.23839	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+IsoProp+H"	61.06479
"410321"	399.149788	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+Na+K"	61.952376
"772045"	583.236588	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+Na+K"	61.952376
"1677492"	215.062988	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Na+K"	61.952376
"257449"	800.362968	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+ACN+Na"	64.015768
"1226144"	432.189368	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+ACN+Na"	64.015768
"1714304"	432.212893	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+NH4+HCOOH"	64.039293
"1179658"	145.713751333333	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+3Na"	68.967654
"1651736"	437.168288	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Na+HCOOH"	68.994688
"161149"	813.26624	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+2K-H"	76.91904
"599252"	1181.43984	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+2K-H"	76.91904
"1087411"	445.09264	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2K-H"	76.91904
"146415"	407.136758	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"2M+2K"	77.926316
"584881"	591.223558	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"3M+2K"	77.926316
"1076326"	223.049958	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2K"	77.926316
"1107712"	447.107192	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2K+H"	78.933592
"1342274"	447.194807	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+DMSO+H"	79.021207
"1007889"	451.233976	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2ACN+H"	83.060376
"1531115"	452.227608	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+IsoProp+Na+H"	84.054008
"994284"	226.120626	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+2ACN+2H"	84.067652
"1596440"	453.142228	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+K+HCOOH"	84.968628
"1418098"	483.173738	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+H+CF3COOH"	115.000138
"1148384"	246.633901	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+3ACN+2H"	125.094202
"1705230"	500.200285	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+NH4+CF3COOH"	132.026685
"1637600"	505.15568	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+Na+CF3COOH"	136.98208
"1580906"	521.12962	"C17598"	"Uncarine F"	"C21H24N2O4"	"368.1736"	"M+K+CF3COOH"	152.95602
"810177"	286.1053	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M"	0
"989063"	267.08691	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-H2O-H"	-19.01839
"78032"	189.729590666667	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M-3H"	-3.021828
"517591"	285.098024	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M-3H"	-3.021828
"895411"	94.3611573333333	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-3H"	-3.021828
"13724"	285.098024	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M-2H"	-2.014552
"451825"	428.150674	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M-2H"	-2.014552
"829628"	142.045374	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-2H"	-2.014552
"93144"	571.203324	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M-H"	-1.007276
"529909"	857.308624	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M-H"	-1.007276
"904793"	285.098024	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-H"	-1.007276
"55887"	588.229871	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M-2H+NH4"	16.019271
"488642"	874.335171	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M-2H+NH4"	16.019271
"871061"	302.124571	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-2H+NH4"	16.019271
"37867"	593.185266	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M-2H+Na"	20.974666
"474147"	879.290566	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M-2H+Na"	20.974666
"855230"	307.079966	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-2H+Na"	20.974666
"1622574"	307.079966	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Na-2H"	20.974666
"96916"	303.086363	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M-H+Cl"	33.962126
"536481"	446.139013	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M-H+Cl"	33.962126
"932181"	160.033713	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-H+Cl"	33.962126
"270009"	607.180002	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+Cl"	34.969402
"666440"	893.285302	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+Cl"	34.969402
"1278488"	321.074702	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Cl"	34.969402
"25786"	609.159206	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M-2H+K"	36.948606
"462067"	895.264506	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M-2H+K"	36.948606
"840962"	323.053906	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-2H+K"	36.948606
"1567733"	323.053906	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+K-2H"	36.948606
"953429"	331.103494	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-H+HCOOH"	44.998194
"372378"	617.208801	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+HCOOH-H"	44.998201
"357718"	631.224451	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+Hac-H"	59.013851
"1503270"	345.119151	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Hac-H"	59.013851
"960968"	353.085451	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-H+NaCOOH"	66.980151
"113157"	321.074702	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+2Cl"	69.938804
"557091"	464.127352	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+2Cl"	69.938804
"1034277"	178.022052	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2Cl"	69.938804
"1253128"	365.024185	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Br"	78.918885
"1313389"	367.080172	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Cl+HCOOH"	80.974872
"1333070"	389.062129	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Cl+NaCOOH"	102.956829
"919761"	399.090886	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M-H+CF3COOH"	112.985586
"1297561"	435.067564	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Cl+CF3COOH"	148.962264
"1375721"	251.092624	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H-2H2O"	-35.012676
"1397107"	269.1026	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H-H2O"	-17.0027
"297644"	573.217876	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+H"	1.007276
"685325"	859.323176	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+H"	1.007276
"1363866"	287.112576	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H"	1.007276
"136754"	287.112576	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+2H"	2.014552
"577411"	430.165226	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+2H"	2.014552
"1046210"	144.059926	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2H"	2.014552
"214839"	191.744142666667	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+3H"	3.021828
"651482"	287.112576	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+3H"	3.021828
"1171796"	96.3757093333333	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+3H"	3.021828
"428507"	590.244423	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+NH4"	18.033823
"793877"	876.349723	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+NH4"	18.033823
"1689114"	304.139123	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+NH4"	18.033823
"333020"	295.6258495	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+H+NH4"	19.041099
"730908"	438.6784995	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+H+NH4"	19.041099
"1480355"	152.5731995	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H+NH4"	19.041099
"395026"	595.199818	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+Na"	22.989218
"756753"	881.305118	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+Na"	22.989218
"1604236"	309.094518	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Na"	22.989218
"324743"	298.103547	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+H+Na"	23.996494
"719716"	441.156197	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+H+Na"	23.996494
"1473535"	155.050897	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H+Na"	23.996494
"1064958"	103.703023333333	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2H+Na"	25.00377
"1271992"	319.138786	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+CH3OH+H"	33.033486
"391776"	611.173758	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+K"	38.963158
"754147"	897.279058	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+K"	38.963158
"1555487"	325.068458	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+K"	38.963158
"313954"	306.090517	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+H+K"	39.970434
"706130"	449.143167	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+H+K"	39.970434
"1460071"	163.037867	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H+K"	39.970434
"250127"	614.244426	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+ACN+H"	42.033826
"1221011"	328.139126	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+ACN+H"	42.033826
"1204896"	164.573201	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+ACN+2H"	43.041102
"197766"	617.18176	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+2Na-H"	44.97116
"643527"	903.28706	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+2Na-H"	44.97116
"1146429"	331.07646	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2Na-H"	44.97116
"187892"	309.094518	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+2Na"	45.978436
"626602"	452.147168	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+2Na"	45.978436
"1129257"	166.041868	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2Na"	45.978436
"1413387"	111.030337333333	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H+2Na"	46.985712
"1440639"	333.118046	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H+HCOOH"	47.012746
"225964"	314.12754	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+3H2O+2H"	56.04448
"1512933"	347.17009	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+IsoProp+H"	61.06479
"411160"	317.081488	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+Na+K"	61.952376
"773248"	460.134138	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+Na+K"	61.952376
"1677238"	174.028838	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Na+K"	61.952376
"257923"	636.226368	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+ACN+Na"	64.015768
"1228444"	350.121068	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+ACN+Na"	64.015768
"1715507"	350.144593	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+NH4+HCOOH"	64.039293
"1181227"	118.357651333333	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+3Na"	68.967654
"1651847"	355.099988	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Na+HCOOH"	68.994688
"159073"	649.12964	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+2K-H"	76.91904
"599000"	935.23494	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+2K-H"	76.91904
"1085089"	363.02434	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2K-H"	76.91904
"144339"	325.068458	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"2M+2K"	77.926316
"584993"	468.121108	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"3M+2K"	77.926316
"1078623"	182.015808	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2K"	77.926316
"1109279"	365.038892	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2K+H"	78.933592
"1342384"	365.126507	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+DMSO+H"	79.021207
"1008728"	369.165676	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2ACN+H"	83.060376
"1533777"	370.159308	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+IsoProp+Na+H"	84.054008
"995487"	185.086476	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+2ACN+2H"	84.067652
"1598737"	371.073928	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+K+HCOOH"	84.968628
"1420022"	401.105438	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+H+CF3COOH"	115.000138
"1154687"	205.599751	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+3ACN+2H"	125.094202
"1700959"	418.131985	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+NH4+CF3COOH"	132.026685
"1638803"	423.08738	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+Na+CF3COOH"	136.98208
"1581016"	439.06132	"C17599"	"Methylarbutin"	"C13H18O7"	"286.1053"	"M+K+CF3COOH"	152.95602
"811380"	594.1585	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M"	0
"988195"	575.14011	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-H2O-H"	-19.01839
"78142"	395.098390666667	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M-3H"	-3.021828
"517458"	593.151224	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M-3H"	-3.021828
"895383"	197.045557333333	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-3H"	-3.021828
"14929"	593.151224	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M-2H"	-2.014552
"455587"	890.230474	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M-2H"	-2.014552
"830467"	296.071974	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-2H"	-2.014552
"90457"	1187.309724	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M-H"	-1.007276
"524916"	1781.468224	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M-H"	-1.007276
"905997"	593.151224	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-H"	-1.007276
"53811"	1204.336271	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M-2H+NH4"	16.019271
"495556"	1798.494771	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M-2H+NH4"	16.019271
"867889"	610.177771	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-2H+NH4"	16.019271
"35792"	1209.291666	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M-2H+Na"	20.974666
"472795"	1803.450166	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M-2H+Na"	20.974666
"852059"	615.133166	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-2H+Na"	20.974666
"1620134"	615.133166	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Na-2H"	20.974666
"95935"	611.139563	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M-H+Cl"	33.962126
"536591"	908.218813	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M-H+Cl"	33.962126
"931199"	314.060313	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-H+Cl"	33.962126
"270119"	1223.286402	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+Cl"	34.969402
"664364"	1817.444902	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+Cl"	34.969402
"1281149"	629.127902	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Cl"	34.969402
"22616"	1225.265606	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M-2H+K"	36.948606
"463270"	1819.424106	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M-2H+K"	36.948606
"841072"	631.107106	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-2H+K"	36.948606
"1567843"	631.107106	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+K-2H"	36.948606
"954632"	639.156694	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-H+HCOOH"	44.998194
"375768"	1233.315201	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+HCOOH-H"	44.998201
"360013"	1247.330851	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+Hac-H"	59.013851
"1502288"	653.172351	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Hac-H"	59.013851
"965450"	661.138651	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-H+NaCOOH"	66.980151
"116547"	629.127902	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+2Cl"	69.938804
"553921"	926.207152	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+2Cl"	69.938804
"1026003"	332.048652	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2Cl"	69.938804
"1253236"	673.077385	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Br"	78.918885
"1313498"	675.133372	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Cl+HCOOH"	80.974872
"1329900"	697.115329	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Cl+NaCOOH"	102.956829
"919871"	707.144086	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M-H+CF3COOH"	112.985586
"1296578"	743.120764	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Cl+CF3COOH"	148.962264
"1380207"	559.145824	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H-2H2O"	-35.012676
"1394422"	577.1558	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H-H2O"	-17.0027
"293014"	1189.324276	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+H"	1.007276
"679968"	1783.482776	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+H"	1.007276
"1358508"	595.165776	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H"	1.007276
"134675"	595.165776	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+2H"	2.014552
"576426"	892.245026	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+2H"	2.014552
"1046320"	298.086526	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2H"	2.014552
"214220"	397.112942666667	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+3H"	3.021828
"652685"	595.165776	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+3H"	3.021828
"1169720"	199.060109333333	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+3H"	3.021828
"428615"	1206.350823	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+NH4"	18.033823
"795080"	1800.509323	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+NH4"	18.033823
"1684120"	612.192323	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+NH4"	18.033823
"333858"	603.6790495	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+H+NH4"	19.041099
"725184"	900.7582995	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+H+NH4"	19.041099
"1481559"	306.5997995	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H+NH4"	19.041099
"399146"	1211.306218	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+Na"	22.989218
"756863"	1805.464718	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+Na"	22.989218
"1603743"	617.147718	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Na"	22.989218
"324124"	606.156747	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+H+Na"	23.996494
"718368"	903.235997	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+H+Na"	23.996494
"1474374"	309.077497	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H+Na"	23.996494
"1065796"	206.387423333333	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2H+Na"	25.00377
"1272467"	627.191986	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+CH3OH+H"	33.033486
"390794"	1227.280158	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+K"	38.963158
"753383"	1821.438658	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+K"	38.963158
"1555312"	633.121658	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+K"	38.963158
"314204"	614.143717	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+H+K"	39.970434
"707004"	911.222967	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+H+K"	39.970434
"1460789"	317.064467	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H+K"	39.970434
"250929"	1230.350826	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+ACN+H"	42.033826
"1223673"	636.192326	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+ACN+H"	42.033826
"1204642"	318.599801	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+ACN+2H"	43.041102
"197512"	1233.28816	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+2Na-H"	44.97116
"642782"	1827.44666	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+2Na-H"	44.97116
"1143857"	639.12966	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2Na-H"	44.97116
"188203"	617.147718	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+2Na"	45.978436
"625614"	914.226968	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+2Na"	45.978436
"1125109"	320.068468	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2Na"	45.978436
"1408632"	213.714737333333	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H+2Na"	46.985712
"1441842"	641.171246	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H+HCOOH"	47.012746
"226074"	622.18074	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+3H2O+2H"	56.04448
"1510856"	655.22329	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+IsoProp+H"	61.06479
"412728"	625.134688	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+Na+K"	61.952376
"775182"	922.213938	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+Na+K"	61.952376
"1677710"	328.055438	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Na+K"	61.952376
"259855"	1252.332768	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+ACN+Na"	64.015768
"1231471"	658.174268	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+ACN+Na"	64.015768
"1718535"	658.197793	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+NH4+HCOOH"	64.039293
"1182796"	221.042051333333	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+3Na"	68.967654
"1654512"	663.153188	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Na+HCOOH"	68.994688
"159911"	1265.23604	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+2K-H"	76.91904
"599109"	1859.39454	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+2K-H"	76.91904
"1086540"	671.07754	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2K-H"	76.91904
"142625"	633.121658	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"2M+2K"	77.926316
"583037"	930.200908	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"3M+2K"	77.926316
"1073994"	336.042408	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2K"	77.926316
"1103921"	673.092092	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2K+H"	78.933592
"1339214"	673.179707	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+DMSO+H"	79.021207
"1008109"	677.218876	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2ACN+H"	83.060376
"1529148"	678.212508	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+IsoProp+Na+H"	84.054008
"993409"	339.113076	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+2ACN+2H"	84.067652
"1593381"	679.127128	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+K+HCOOH"	84.968628
"1422320"	709.158638	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+H+CF3COOH"	115.000138
"1158077"	359.626351	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+3ACN+2H"	125.094202
"1702164"	726.185185	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+NH4+CF3COOH"	132.026685
"1635626"	731.14058	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+Na+CF3COOH"	136.98208
"1581126"	747.11452	"C17600"	"Multiflorin B"	"C27H30O15"	"594.1585"	"M+K+CF3COOH"	152.95602
"811490"	84.0211	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M"	0
"987941"	65.00271	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-H2O-H"	-19.01839
"76186"	55.0067906666667	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M-3H"	-3.021828
"516110"	83.013824	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M-3H"	-3.021828
"895049"	26.9997573333333	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-3H"	-3.021828
"15598"	83.013824	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M-2H"	-2.014552
"455620"	125.024374	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M-2H"	-2.014552
"830942"	41.003274	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-2H"	-2.014552
"92754"	167.034924	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M-H"	-1.007276
"528306"	251.056024	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M-H"	-1.007276
"909388"	83.013824	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-H"	-1.007276
"56107"	184.061471	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M-2H+NH4"	16.019271
"495666"	268.082571	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M-2H+NH4"	16.019271
"871279"	100.040371	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-2H+NH4"	16.019271
"35902"	189.016866	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M-2H+Na"	20.974666
"473277"	273.037966	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M-2H+Na"	20.974666
"851076"	104.995766	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-2H+Na"	20.974666
"1618910"	104.995766	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Na-2H"	20.974666
"98231"	101.002163	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M-H+Cl"	33.962126
"536698"	143.012713	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M-H+Cl"	33.962126
"934590"	58.991613	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-H+Cl"	33.962126
"270959"	203.011602	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+Cl"	34.969402
"667758"	287.032702	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+Cl"	34.969402
"1276886"	118.990502	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Cl"	34.969402
"22726"	204.990806	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M-2H+K"	36.948606
"463379"	289.011906	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M-2H+K"	36.948606
"838995"	120.969706	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-2H+K"	36.948606
"1565767"	120.969706	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+K-2H"	36.948606
"952555"	129.019294	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-H+HCOOH"	44.998194
"375147"	213.040401	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+HCOOH-H"	44.998201
"355750"	227.056051	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+Hac-H"	59.013851
"1498021"	143.034951	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Hac-H"	59.013851
"959485"	151.001251	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-H+NaCOOH"	66.980151
"119940"	118.990502	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+2Cl"	69.938804
"558407"	161.001052	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+2Cl"	69.938804
"1031579"	76.979952	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2Cl"	69.938804
"1255532"	162.939985	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Br"	78.918885
"1316887"	164.995972	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Cl+HCOOH"	80.974872
"1330010"	186.977929	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Cl+NaCOOH"	102.956829
"921075"	197.006686	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M-H+CF3COOH"	112.985586
"1299969"	232.983364	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Cl+CF3COOH"	148.962264
"1381410"	49.008424	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H-2H2O"	-35.012676
"1394532"	67.0184	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H-H2O"	-17.0027
"293124"	169.049476	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+H"	1.007276
"680078"	253.070576	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+H"	1.007276
"1359711"	85.028376	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H"	1.007276
"134786"	85.028376	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+2H"	2.014552
"577630"	127.038926	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+2H"	2.014552
"1044243"	43.017826	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2H"	2.014552
"215424"	57.0213426666667	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+3H"	3.021828
"650610"	85.028376	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+3H"	3.021828
"1166912"	29.0143093333333	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+3H"	3.021828
"430914"	186.076023	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+NH4"	18.033823
"795190"	270.097123	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+NH4"	18.033823
"1686053"	102.054923	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+NH4"	18.033823
"337616"	93.5416495	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+H+NH4"	19.041099
"727848"	135.5521995	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+H+NH4"	19.041099
"1481669"	51.5310995	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H+NH4"	19.041099
"401444"	191.031418	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+Na"	22.989218
"760254"	275.052518	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+Na"	22.989218
"1603124"	107.010318	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Na"	22.989218
"326055"	96.019347	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+H+Na"	23.996494
"718477"	138.029897	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+H+Na"	23.996494
"1475575"	54.008797	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H+Na"	23.996494
"1067363"	36.3416233333333	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2H+Na"	25.00377
"1272624"	117.054586	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+CH3OH+H"	33.033486
"390540"	207.005358	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+K"	38.963158
"753773"	291.026458	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+K"	38.963158
"1555294"	122.984258	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+K"	38.963158
"314162"	104.006317	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+H+K"	39.970434
"706987"	146.016867	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+H+K"	39.970434
"1461262"	61.995767	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H+K"	39.970434
"250467"	210.076026	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+ACN+H"	42.033826
"1221231"	126.054926	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+ACN+H"	42.033826
"1204752"	63.531101	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+ACN+2H"	43.041102
"201630"	213.01336	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+2Na-H"	44.97116
"643378"	297.03446	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+2Na-H"	44.97116
"1143967"	128.99226	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2Na-H"	44.97116
"187137"	107.010318	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+2Na"	45.978436
"624994"	149.020868	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+2Na"	45.978436
"1123032"	64.999768	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2Na"	45.978436
"1412024"	43.6689373333333	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H+2Na"	46.985712
"1443046"	131.033846	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H+HCOOH"	47.012746
"225091"	112.04334	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+3H2O+2H"	56.04448
"1513152"	145.08589	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+IsoProp+H"	61.06479
"412838"	114.997288	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+Na+K"	61.952376
"774928"	157.007838	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+Na+K"	61.952376
"1672353"	72.986738	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Na+K"	61.952376
"258872"	232.057968	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+ACN+Na"	64.015768
"1228300"	148.036868	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+ACN+Na"	64.015768
"1718281"	148.060393	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+NH4+HCOOH"	64.039293
"1183636"	50.9962513333333	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+3Na"	68.967654
"1652436"	153.015788	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Na+HCOOH"	68.994688
"159297"	244.96124	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+2K-H"	76.91904
"598128"	328.98234	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+2K-H"	76.91904
"1084948"	160.94014	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2K-H"	76.91904
"142734"	122.984258	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"2M+2K"	77.926316
"583025"	164.994808	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"3M+2K"	77.926316
"1074104"	80.973708	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2K"	77.926316
"1102937"	162.954692	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2K+H"	78.933592
"1339324"	163.042307	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+DMSO+H"	79.021207
"1006881"	167.081476	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2ACN+H"	83.060376
"1526099"	168.075108	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+IsoProp+Na+H"	84.054008
"992426"	84.044376	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+2ACN+2H"	84.067652
"1590209"	168.989728	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+K+HCOOH"	84.968628
"1420243"	199.021238	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+H+CF3COOH"	115.000138
"1158187"	104.557651	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+3ACN+2H"	125.094202
"1698993"	216.047785	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+NH4+CF3COOH"	132.026685
"1635009"	221.00318	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+Na+CF3COOH"	136.98208
"1581236"	236.97712	"C17601"	"2(5H)-Furanone;gamma-Crotonolactone;Butenolide"	"C4H4O2"	"84.0211"	"M+K+CF3COOH"	152.95602
"811600"	84.0211	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M"	0
"988415"	65.00271	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-H2O-H"	-19.01839
"76295"	55.0067906666667	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M-3H"	-3.021828
"515856"	83.013824	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M-3H"	-3.021828
"890742"	26.9997573333333	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-3H"	-3.021828
"14420"	83.013824	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M-2H"	-2.014552
"455447"	125.024374	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M-2H"	-2.014552
"827770"	41.003274	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-2H"	-2.014552
"92379"	167.034924	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M-H"	-1.007276
"531331"	251.056024	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M-H"	-1.007276
"908284"	83.013824	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-H"	-1.007276
"55124"	184.061471	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M-2H+NH4"	16.019271
"493589"	268.082571	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M-2H+NH4"	16.019271
"870296"	100.040371	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-2H+NH4"	16.019271
"36012"	189.016866	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M-2H+Na"	20.974666
"472658"	273.037966	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M-2H+Na"	20.974666
"849364"	104.995766	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-2H+Na"	20.974666
"1618939"	104.995766	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Na-2H"	20.974666
"98341"	101.002163	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M-H+Cl"	33.962126
"538994"	143.012713	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M-H+Cl"	33.962126
"932514"	58.991613	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-H+Cl"	33.962126
"271068"	203.011602	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+Cl"	34.969402
"665682"	287.032702	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+Cl"	34.969402
"1282461"	118.990502	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Cl"	34.969402
"18457"	204.990806	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M-2H+K"	36.948606
"460205"	289.011906	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M-2H+K"	36.948606
"835095"	120.969706	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-2H+K"	36.948606
"1565874"	120.969706	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+K-2H"	36.948606
"951572"	129.019294	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-H+HCOOH"	44.998194
"368693"	213.040401	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+HCOOH-H"	44.998201
"352578"	227.056051	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+Hac-H"	59.013851
"1501410"	143.034951	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Hac-H"	59.013851
"958509"	151.001251	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-H+NaCOOH"	66.980151
"120050"	118.990502	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+2Cl"	69.938804
"559610"	161.001052	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+2Cl"	69.938804
"1029502"	76.979952	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2Cl"	69.938804
"1255642"	162.939985	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Br"	78.918885
"1316997"	164.995972	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Cl+HCOOH"	80.974872
"1330120"	186.977929	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Cl+NaCOOH"	102.956829
"922279"	197.006686	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M-H+CF3COOH"	112.985586
"1300079"	232.983364	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Cl+CF3COOH"	148.962264
"1379335"	49.008424	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H-2H2O"	-35.012676
"1393549"	67.0184	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H-H2O"	-17.0027
"292141"	169.049476	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+H"	1.007276
"680188"	253.070576	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+H"	1.007276
"1362006"	85.028376	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H"	1.007276
"137082"	85.028376	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+2H"	2.014552
"578106"	127.038926	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+2H"	2.014552
"1046540"	43.017826	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2H"	2.014552
"215533"	57.0213426666667	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+3H"	3.021828
"648897"	85.028376	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+3H"	3.021828
"1166658"	29.0143093333333	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+3H"	3.021828
"429200"	186.076023	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+NH4"	18.033823
"793114"	270.097123	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+NH4"	18.033823
"1684339"	102.054923	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+NH4"	18.033823
"337723"	93.5416495	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+H+NH4"	19.041099
"729051"	135.5521995	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+H+NH4"	19.041099
"1481779"	51.5310995	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H+NH4"	19.041099
"400462"	191.031418	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+Na"	22.989218
"759271"	275.052518	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+Na"	22.989218
"1603114"	107.010318	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Na"	22.989218
"327258"	96.019347	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+H+Na"	23.996494
"719316"	138.029897	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+H+Na"	23.996494
"1475685"	54.008797	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H+Na"	23.996494
"1066744"	36.3416233333333	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2H+Na"	25.00377
"1272747"	117.054586	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+CH3OH+H"	33.033486
"389557"	207.005358	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+K"	38.963158
"753800"	291.026458	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+K"	38.963158
"1555499"	122.984258	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+K"	38.963158
"309779"	104.006317	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+H+K"	39.970434
"704020"	146.016867	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+H+K"	39.970434
"1457477"	61.995767	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H+K"	39.970434
"249969"	210.076026	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+ACN+H"	42.033826
"1223527"	126.054926	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+ACN+H"	42.033826
"1201944"	63.531101	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+ACN+2H"	43.041102
"195908"	213.01336	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+2Na-H"	44.97116
"640571"	297.03446	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+2Na-H"	44.97116
"1142254"	128.99226	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2Na-H"	44.97116
"182264"	107.010318	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+2Na"	45.978436
"624011"	149.020868	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+2Na"	45.978436
"1122049"	64.999768	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2Na"	45.978436
"1404480"	43.6689373333333	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H+2Na"	46.985712
"1442428"	131.033846	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H+HCOOH"	47.012746
"224108"	112.04334	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+3H2O+2H"	56.04448
"1511804"	145.08589	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+IsoProp+H"	61.06479
"412218"	114.997288	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+Na+K"	61.952376
"775038"	157.007838	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+Na+K"	61.952376
"1670275"	72.986738	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Na+K"	61.952376
"255337"	232.057968	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+ACN+Na"	64.015768
"1227680"	148.036868	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+ACN+Na"	64.015768
"1716205"	148.060393	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+NH4+HCOOH"	64.039293
"1179084"	50.9962513333333	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+3Na"	68.967654
"1651449"	153.015788	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Na+HCOOH"	68.994688
"159040"	244.96124	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+2K-H"	76.91904
"598236"	328.98234	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+2K-H"	76.91904
"1085301"	160.94014	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2K-H"	76.91904
"142113"	122.984258	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"2M+2K"	77.926316
"582644"	164.994808	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"3M+2K"	77.926316
"1074214"	80.973708	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2K"	77.926316
"1101953"	162.954692	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2K+H"	78.933592
"1339434"	163.042307	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+DMSO+H"	79.021207
"1006870"	167.081476	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2ACN+H"	83.060376
"1526088"	168.075108	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+IsoProp+Na+H"	84.054008
"993629"	84.044376	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+2ACN+2H"	84.067652
"1590319"	168.989728	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+K+HCOOH"	84.968628
"1420353"	199.021238	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+H+CF3COOH"	115.000138
"1160484"	104.557651	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+3ACN+2H"	125.094202
"1700197"	216.047785	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+NH4+CF3COOH"	132.026685
"1634755"	221.00318	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+Na+CF3COOH"	136.98208
"1581346"	236.97712	"C17602"	"2(3H)-Furanone;alpha-Crotonolactone"	"C4H4O2"	"84.0211"	"M+K+CF3COOH"	152.95602
"810617"	254.1882	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M"	0
"988525"	235.16981	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-H2O-H"	-19.01839
"76769"	168.451524	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M-3H"	-3.021828
"517059"	253.180924	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M-3H"	-3.021828
"894498"	83.722124	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-3H"	-3.021828
"14530"	253.180924	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M-2H"	-2.014552
"455193"	380.275024	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M-2H"	-2.014552
"831527"	126.086824	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-2H"	-2.014552
"93341"	507.369124	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M-H"	-1.007276
"531805"	761.557324	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M-H"	-1.007276
"908150"	253.180924	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-H"	-1.007276
"58514"	524.395671	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M-2H+NH4"	16.019271
"495886"	778.583871	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M-2H+NH4"	16.019271
"872593"	270.207471	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-2H+NH4"	16.019271
"36122"	529.351066	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M-2H+Na"	20.974666
"478965"	783.539266	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M-2H+Na"	20.974666
"849476"	275.162866	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-2H+Na"	20.974666
"1621922"	275.162866	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Na-2H"	20.974666
"98451"	271.169263	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M-H+Cl"	33.962126
"538011"	398.263363	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M-H+Cl"	33.962126
"928251"	144.075163	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-H+Cl"	33.962126
"268627"	543.345802	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+Cl"	34.969402
"664698"	797.534002	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+Cl"	34.969402
"1282571"	289.157602	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Cl"	34.969402
"20754"	545.325006	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M-2H+K"	36.948606
"461409"	799.513206	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M-2H+K"	36.948606
"835203"	291.136806	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-2H+K"	36.948606
"1558330"	291.136806	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+K-2H"	36.948606
"943052"	299.186394	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-H+HCOOH"	44.998194
"361630"	553.374601	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+HCOOH-H"	44.998201
"353781"	567.390251	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+Hac-H"	59.013851
"1502614"	313.202051	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Hac-H"	59.013851
"964688"	321.168351	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-H+NaCOOH"	66.980151
"122345"	289.157602	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+2Cl"	69.938804
"557533"	416.251702	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+2Cl"	69.938804
"1031800"	162.063502	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2Cl"	69.938804
"1254659"	333.107085	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Br"	78.918885
"1317108"	335.163072	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Cl+HCOOH"	80.974872
"1329137"	357.145029	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Cl+NaCOOH"	102.956829
"923482"	367.173786	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M-H+CF3COOH"	112.985586
"1301282"	403.150464	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Cl+CF3COOH"	148.962264
"1380537"	219.175524	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H-2H2O"	-35.012676
"1397669"	237.1855	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H-H2O"	-17.0027
"292251"	509.383676	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+H"	1.007276
"687953"	763.571876	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+H"	1.007276
"1363209"	255.195476	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H"	1.007276
"137191"	255.195476	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+2H"	2.014552
"580037"	382.289576	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+2H"	2.014552
"1047745"	128.101376	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2H"	2.014552
"216375"	170.466076	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+3H"	3.021828
"649734"	255.195476	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+3H"	3.021828
"1168956"	85.736676	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+3H"	3.021828
"430405"	526.410223	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+NH4"	18.033823
"793224"	780.598423	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+NH4"	18.033823
"1687732"	272.222023	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+NH4"	18.033823
"335646"	263.7087495	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+H+NH4"	19.041099
"733536"	390.8028495	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+H+NH4"	19.041099
"1488451"	136.6146495	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H+NH4"	19.041099
"404582"	531.365618	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+Na"	22.989218
"765942"	785.553818	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+Na"	22.989218
"1603181"	277.177418	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Na"	22.989218
"324089"	266.186447	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+H+Na"	23.996494
"715413"	393.280547	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+H+Na"	23.996494
"1469233"	139.092347	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H+Na"	23.996494
"1060289"	93.06399	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2H+Na"	25.00377
"1272554"	287.221686	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+CH3OH+H"	33.033486
"389667"	547.339558	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+K"	38.963158
"754156"	801.527758	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+K"	38.963158
"1555574"	293.151358	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+K"	38.963158
"313172"	274.173417	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+H+K"	39.970434
"706918"	401.267517	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+H+K"	39.970434
"1459412"	147.079317	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H+K"	39.970434
"250567"	550.410226	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+ACN+H"	42.033826
"1225342"	296.222026	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+ACN+H"	42.033826
"1206065"	148.614651	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+ACN+2H"	43.041102
"199664"	553.34756	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+2Na-H"	44.97116
"642019"	807.53576	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+2Na-H"	44.97116
"1145405"	299.15936	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2Na-H"	44.97116
"185778"	277.177418	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+2Na"	45.978436
"626797"	404.271518	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+2Na"	45.978436
"1124347"	150.083318	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2Na"	45.978436
"1407871"	100.391304	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H+2Na"	46.985712
"1433790"	301.200946	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H+HCOOH"	47.012746
"226404"	282.21044	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+3H2O+2H"	56.04448
"1511186"	315.25299	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+IsoProp+H"	61.06479
"411962"	285.164388	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+Na+K"	61.952376
"773689"	412.258488	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+Na+K"	61.952376
"1671481"	158.070288	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Na+K"	61.952376
"254719"	572.392168	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+ACN+Na"	64.015768
"1235083"	318.203968	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+ACN+Na"	64.015768
"1718502"	318.227493	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+NH4+HCOOH"	64.039293
"1182030"	107.718618	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+3Na"	68.967654
"1652287"	323.182888	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Na+HCOOH"	68.994688
"158059"	585.29544	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+2K-H"	76.91904
"600170"	839.48364	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+2K-H"	76.91904
"1086870"	331.10724	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2K-H"	76.91904
"146966"	293.151358	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"2M+2K"	77.926316
"582025"	420.245458	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"3M+2K"	77.926316
"1074324"	166.057258	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2K"	77.926316
"1100970"	333.121792	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2K+H"	78.933592
"1339545"	333.209407	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+DMSO+H"	79.021207
"1008071"	337.248576	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2ACN+H"	83.060376
"1524376"	338.242208	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+IsoProp+Na+H"	84.054008
"991552"	169.127926	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+2ACN+2H"	84.067652
"1589336"	339.156828	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+K+HCOOH"	84.968628
"1421556"	369.188338	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+H+CF3COOH"	115.000138
"1157313"	189.641201	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+3ACN+2H"	125.094202
"1699213"	386.214885	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+NH4+CF3COOH"	132.026685
"1634377"	391.17028	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+Na+CF3COOH"	136.98208
"1581456"	407.14422	"C17603"	"Kikkanol A"	"C15H26O3"	"254.1882"	"M+K+CF3COOH"	152.95602
"811822"	236.1776	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M"	0
"982075"	217.15921	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-H2O-H"	-19.01839
"71411"	156.444457333333	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M-3H"	-3.021828
"512063"	235.170324	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M-3H"	-3.021828
"886584"	77.7185906666667	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-3H"	-3.021828
"7345"	235.170324	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M-2H"	-2.014552
"441803"	353.259124	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M-2H"	-2.014552
"825801"	117.081524	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-2H"	-2.014552
"89073"	471.347924	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M-H"	-1.007276
"530822"	707.525524	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M-H"	-1.007276
"906071"	235.170324	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-H"	-1.007276
"55344"	488.374471	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M-2H+NH4"	16.019271
"489800"	724.552071	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M-2H+NH4"	16.019271
"868332"	252.196871	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-2H+NH4"	16.019271
"35139"	493.329866	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M-2H+Na"	20.974666
"480168"	729.507466	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M-2H+Na"	20.974666
"849827"	257.152266	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-2H+Na"	20.974666
"1619846"	257.152266	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Na-2H"	20.974666
"95522"	253.158663	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M-H+Cl"	33.962126
"537028"	371.247463	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M-H+Cl"	33.962126
"929451"	135.069863	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-H+Cl"	33.962126
"269103"	507.324602	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+Cl"	34.969402
"662621"	743.502202	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+Cl"	34.969402
"1275753"	271.147002	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Cl"	34.969402
"19041"	509.303806	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M-2H+K"	36.948606
"457145"	745.481406	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M-2H+K"	36.948606
"833164"	273.126206	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-2H+K"	36.948606
"1555884"	273.126206	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+K-2H"	36.948606
"946324"	281.175794	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-H+HCOOH"	44.998194
"366726"	517.353401	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+HCOOH-H"	44.998201
"349517"	531.369051	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+Hac-H"	59.013851
"1502723"	295.191451	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Hac-H"	59.013851
"965893"	303.157751	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-H+NaCOOH"	66.980151
"121362"	271.147002	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+2Cl"	69.938804
"564204"	389.235802	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+2Cl"	69.938804
"1031910"	153.058202	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2Cl"	69.938804
"1254771"	315.096485	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Br"	78.918885
"1316125"	317.152472	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Cl+HCOOH"	80.974872
"1330340"	339.134429	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Cl+NaCOOH"	102.956829
"923592"	349.163186	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M-H+CF3COOH"	112.985586
"1303215"	385.139864	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Cl+CF3COOH"	148.962264
"1381743"	201.164924	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H-2H2O"	-35.012676
"1398339"	219.1749	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H-H2O"	-17.0027
"297466"	473.362476	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+H"	1.007276
"690496"	709.540076	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+H"	1.007276
"1365508"	237.184876	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H"	1.007276
"139493"	237.184876	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+2H"	2.014552
"578692"	355.273676	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+2H"	2.014552
"1048952"	119.096076	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2H"	2.014552
"212474"	158.459009333333	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+3H"	3.021828
"648389"	237.184876	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+3H"	3.021828
"1166148"	79.7331426666667	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+3H"	3.021828
"431246"	490.389023	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+NH4"	18.033823
"798804"	726.566623	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+NH4"	18.033823
"1690760"	254.211423	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+NH4"	18.033823
"341225"	245.6981495	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+H+NH4"	19.041099
"727084"	363.7869495	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+H+NH4"	19.041099
"1488560"	127.6093495	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H+NH4"	19.041099
"402867"	495.344418	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+Na"	22.989218
"762768"	731.522018	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+Na"	22.989218
"1606497"	259.166818	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Na"	22.989218
"325291"	248.175847	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+H+Na"	23.996494
"717709"	366.264647	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+H+Na"	23.996494
"1472989"	130.087047	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H+Na"	23.996494
"1059308"	87.0604566666667	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2H+Na"	25.00377
"1270475"	269.211086	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+CH3OH+H"	33.033486
"389419"	511.318358	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+K"	38.963158
"751141"	747.495958	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+K"	38.963158
"1554773"	275.140758	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+K"	38.963158
"312553"	256.162817	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+H+K"	39.970434
"705703"	374.251617	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+H+K"	39.970434
"1455878"	138.074017	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H+K"	39.970434
"247760"	514.389026	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+ACN+H"	42.033826
"1217187"	278.211426	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+ACN+H"	42.033826
"1206175"	139.609351	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+ACN+2H"	43.041102
"200136"	517.32636	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+2Na-H"	44.97116
"636781"	753.50396	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+2Na-H"	44.97116
"1142474"	281.14876	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2Na-H"	44.97116
"182482"	259.166818	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+2Na"	45.978436
"622773"	377.255618	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+2Na"	45.978436
"1123362"	141.078018	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2Na"	45.978436
"1402513"	94.3877706666667	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H+2Na"	46.985712
"1434991"	283.190346	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H+HCOOH"	47.012746
"225421"	264.19984	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+3H2O+2H"	56.04448
"1511296"	297.24239	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+IsoProp+H"	61.06479
"417545"	267.153788	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+Na+K"	61.952376
"771981"	385.242588	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+Na+K"	61.952376
"1671591"	149.064988	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Na+K"	61.952376
"257018"	536.370968	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+ACN+Na"	64.015768
"1228996"	300.193368	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+ACN+Na"	64.015768
"1717153"	300.216893	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+NH4+HCOOH"	64.039293
"1179951"	101.715084666667	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+3Na"	68.967654
"1650694"	305.172288	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Na+HCOOH"	68.994688
"158893"	549.27424	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+2K-H"	76.91904
"599550"	785.45184	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+2K-H"	76.91904
"1084789"	313.09664	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2K-H"	76.91904
"141852"	275.140758	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"2M+2K"	77.926316
"585545"	393.229558	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"3M+2K"	77.926316
"1074434"	157.051958	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2K"	77.926316
"1109832"	315.111192	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2K+H"	78.933592
"1345124"	315.198807	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+DMSO+H"	79.021207
"1011469"	319.237976	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2ACN+H"	83.060376
"1529593"	320.231608	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+IsoProp+Na+H"	84.054008
"996040"	160.122626	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+2ACN+2H"	84.067652
"1596012"	321.146228	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+K+HCOOH"	84.968628
"1419487"	351.177738	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+H+CF3COOH"	115.000138
"1151962"	180.635901	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+3ACN+2H"	125.094202
"1699329"	368.204285	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+NH4+CF3COOH"	132.026685
"1647008"	373.15968	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+Na+CF3COOH"	136.98208
"1581566"	389.13362	"C17604"	"Kikkanol B"	"C15H24O2"	"236.1776"	"M+K+CF3COOH"	152.95602
"805369"	252.1725	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M"	0
"988380"	233.15411	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-H2O-H"	-19.01839
"71521"	167.107724	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M-3H"	-3.021828
"508893"	251.165224	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M-3H"	-3.021828
"889973"	83.050224	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-3H"	-3.021828
"7455"	251.165224	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M-2H"	-2.014552
"443006"	377.251474	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M-2H"	-2.014552
"825911"	125.078974	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-2H"	-2.014552
"92710"	503.337724	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M-H"	-1.007276
"530932"	755.510224	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M-H"	-1.007276
"906545"	251.165224	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-H"	-1.007276
"58734"	520.364271	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M-2H+NH4"	16.019271
"492826"	772.536771	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M-2H+NH4"	16.019271
"868442"	268.191771	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-2H+NH4"	16.019271
"37436"	525.319666	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M-2H+Na"	20.974666
"479185"	777.492166	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M-2H+Na"	20.974666
"850667"	273.147166	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-2H+Na"	20.974666
"1621051"	273.147166	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Na-2H"	20.974666
"95757"	269.153563	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M-H+Cl"	33.962126
"540420"	395.239813	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M-H+Cl"	33.962126
"929926"	143.067313	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-H+Cl"	33.962126
"271399"	539.314402	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+Cl"	34.969402
"664917"	791.486902	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+Cl"	34.969402
"1277321"	287.141902	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Cl"	34.969402
"18787"	541.293606	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M-2H+K"	36.948606
"458348"	793.466106	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M-2H+K"	36.948606
"838341"	289.121106	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-2H+K"	36.948606
"1556479"	289.121106	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+K-2H"	36.948606
"943637"	297.170694	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-H+HCOOH"	44.998194
"362090"	549.343201	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+HCOOH-H"	44.998201
"349627"	563.358851	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+Hac-H"	59.013851
"1493718"	311.186351	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Hac-H"	59.013851
"966002"	319.152651	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-H+NaCOOH"	66.980151
"124752"	287.141902	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+2Cl"	69.938804
"564314"	413.228152	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+2Cl"	69.938804
"1032020"	161.055652	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2Cl"	69.938804
"1256705"	331.091385	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Br"	78.918885
"1318421"	333.147372	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Cl+HCOOH"	80.974872
"1332636"	355.129329	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Cl+NaCOOH"	102.956829
"921510"	365.158086	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M-H+CF3COOH"	112.985586
"1302596"	401.134764	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Cl+CF3COOH"	148.962264
"1379663"	217.159824	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H-2H2O"	-35.012676
"1395702"	235.1698	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H-H2O"	-17.0027
"296849"	505.352276	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+H"	1.007276
"689634"	757.524776	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+H"	1.007276
"1364525"	253.179776	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H"	1.007276
"138510"	253.179776	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+2H"	2.014552
"578072"	379.266026	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+2H"	2.014552
"1046872"	127.093526	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2H"	2.014552
"219508"	169.122276	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+3H"	3.021828
"649953"	253.179776	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+3H"	3.021828
"1166985"	85.064776	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+3H"	3.021828
"428801"	522.378823	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+NH4"	18.033823
"790526"	774.551323	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+NH4"	18.033823
"1685399"	270.206323	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+NH4"	18.033823
"336959"	261.6930495	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+H+NH4"	19.041099
"726829"	387.7792995	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+H+NH4"	19.041099
"1485389"	135.6067995	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H+NH4"	19.041099
"397508"	527.334218	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+Na"	22.989218
"754971"	779.506718	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+Na"	22.989218
"1602855"	275.161718	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Na"	22.989218
"324308"	264.170747	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+H+Na"	23.996494
"716726"	390.256997	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+H+Na"	23.996494
"1467266"	138.084497	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H+Na"	23.996494
"1060510"	92.39209	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2H+Na"	25.00377
"1271920"	285.205986	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+CH3OH+H"	33.033486
"389529"	543.308158	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+K"	38.963158
"753072"	795.480658	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+K"	38.963158
"1554029"	291.135658	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+K"	38.963158
"309745"	272.157717	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+H+K"	39.970434
"706177"	398.243967	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+H+K"	39.970434
"1453802"	146.071467	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H+K"	39.970434
"243496"	546.378826	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+ACN+H"	42.033826
"1215111"	294.206326	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+ACN+H"	42.033826
"1204461"	147.606801	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+ACN+2H"	43.041102
"198423"	549.31616	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+2Na-H"	44.97116
"636889"	801.48866	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+2Na-H"	44.97116
"1137115"	297.14366	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2Na-H"	44.97116
"178219"	275.161718	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+2Na"	45.978436
"621060"	401.247968	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+2Na"	45.978436
"1121285"	149.075468	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2Na"	45.978436
"1403716"	99.719404	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H+2Na"	46.985712
"1433644"	299.185246	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H+HCOOH"	47.012746
"226624"	280.19474	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+3H2O+2H"	56.04448
"1510677"	313.23729	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+IsoProp+H"	61.06479
"419842"	283.148688	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+Na+K"	61.952376
"773547"	409.234938	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+Na+K"	61.952376
"1671701"	157.062438	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Na+K"	61.952376
"258221"	568.360768	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+ACN+Na"	64.015768
"1228377"	316.188268	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+ACN+Na"	64.015768
"1714711"	316.211793	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+NH4+HCOOH"	64.039293
"1180061"	107.046718	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+3Na"	68.967654
"1651776"	321.167188	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Na+HCOOH"	68.994688
"159731"	581.26404	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+2K-H"	76.91904
"601483"	833.43654	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+2K-H"	76.91904
"1085995"	329.09154	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2K-H"	76.91904
"142074"	291.135658	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"2M+2K"	77.926316
"585655"	417.221908	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"3M+2K"	77.926316
"1070167"	165.049408	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2K"	77.926316
"1101193"	331.106092	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2K+H"	78.933592
"1341954"	331.193707	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+DMSO+H"	79.021207
"1013766"	335.232876	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2ACN+H"	83.060376
"1529703"	336.226508	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+IsoProp+Na+H"	84.054008
"996150"	168.120076	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+2ACN+2H"	84.067652
"1596122"	337.141128	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+K+HCOOH"	84.968628
"1418504"	367.172638	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+H+CF3COOH"	115.000138
"1152072"	188.633351	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+3ACN+2H"	125.094202
"1699439"	384.199185	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+NH4+CF3COOH"	132.026685
"1647118"	389.15458	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+Na+CF3COOH"	136.98208
"1581676"	405.12852	"C17605"	"Kikkanol C"	"C15H24O3"	"252.1725"	"M+K+CF3COOH"	152.95602
"803656"	254.1882	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M"	0
"987397"	235.16981	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-H2O-H"	-19.01839
"71631"	168.451524	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M-3H"	-3.021828
"509003"	253.180924	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M-3H"	-3.021828
"890083"	83.722124	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-3H"	-3.021828
"7565"	253.180924	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M-2H"	-2.014552
"443480"	380.275024	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M-2H"	-2.014552
"823834"	126.086824	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-2H"	-2.014552
"92939"	507.369124	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M-H"	-1.007276
"529949"	761.557324	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M-H"	-1.007276
"905562"	253.180924	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-H"	-1.007276
"58480"	524.395671	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M-2H+NH4"	16.019271
"492936"	778.583871	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M-2H+NH4"	16.019271
"868552"	270.207471	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-2H+NH4"	16.019271
"36453"	529.351066	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M-2H+Na"	20.974666
"479295"	783.539266	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M-2H+Na"	20.974666
"851629"	275.162866	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-2H+Na"	20.974666
"1624442"	275.162866	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Na-2H"	20.974666
"98784"	271.169263	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M-H+Cl"	33.962126
"541623"	398.263363	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M-H+Cl"	33.962126
"930766"	144.075163	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-H+Cl"	33.962126
"270415"	543.345802	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+Cl"	34.969402
"666115"	797.534002	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+Cl"	34.969402
"1276337"	289.157602	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Cl"	34.969402
"18897"	545.325006	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M-2H+K"	36.948606
"459551"	799.513206	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M-2H+K"	36.948606
"835169"	291.136806	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-2H+K"	36.948606
"1558655"	291.136806	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+K-2H"	36.948606
"944719"	299.186394	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-H+HCOOH"	44.998194
"362568"	553.374601	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+HCOOH-H"	44.998201
"350830"	567.390251	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+Hac-H"	59.013851
"1496382"	313.202051	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Hac-H"	59.013851
"962831"	321.168351	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-H+NaCOOH"	66.980151
"119395"	289.157602	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+2Cl"	69.938804
"555676"	416.251702	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+2Cl"	69.938804
"1032130"	162.063502	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2Cl"	69.938804
"1256989"	333.107085	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Br"	78.918885
"1319858"	335.163072	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Cl+HCOOH"	80.974872
"1332746"	357.145029	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Cl+NaCOOH"	102.956829
"921620"	367.173786	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M-H+CF3COOH"	112.985586
"1302705"	403.150464	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Cl+CF3COOH"	148.962264
"1376491"	219.175524	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H-2H2O"	-35.012676
"1392895"	237.1855	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H-H2O"	-17.0027
"294768"	509.383676	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+H"	1.007276
"689378"	763.571876	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+H"	1.007276
"1364634"	255.195476	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H"	1.007276
"138256"	255.195476	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+2H"	2.014552
"577089"	382.289576	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+2H"	2.014552
"1048072"	128.101376	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2H"	2.014552
"217066"	170.466076	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+3H"	3.021828
"650429"	255.195476	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+3H"	3.021828
"1169283"	85.736676	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+3H"	3.021828
"431465"	526.410223	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+NH4"	18.033823
"791367"	780.598423	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+NH4"	18.033823
"1685509"	272.222023	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+NH4"	18.033823
"337069"	263.7087495	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+H+NH4"	19.041099
"726575"	390.8028495	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+H+NH4"	19.041099
"1485499"	136.6146495	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H+NH4"	19.041099
"397618"	531.365618	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+Na"	22.989218
"754843"	785.553818	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+Na"	22.989218
"1603023"	277.177418	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Na"	22.989218
"324414"	266.186447	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+H+Na"	23.996494
"713553"	393.280547	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+H+Na"	23.996494
"1465551"	139.092347	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H+Na"	23.996494
"1057340"	93.06399	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2H+Na"	25.00377
"1272027"	287.221686	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+CH3OH+H"	33.033486
"391096"	547.339558	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+K"	38.963158
"752818"	801.527758	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+K"	38.963158
"1555534"	293.151358	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+K"	38.963158
"312771"	274.173417	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+H+K"	39.970434
"705557"	401.267517	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+H+K"	39.970434
"1453912"	147.079317	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H+K"	39.970434
"243606"	550.410226	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+ACN+H"	42.033826
"1217408"	296.222026	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+ACN+H"	42.033826
"1204571"	148.614651	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+ACN+2H"	43.041102
"197439"	553.34756	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+2Na-H"	44.97116
"635905"	807.53576	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+2Na-H"	44.97116
"1138317"	299.15936	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2Na-H"	44.97116
"180516"	277.177418	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+2Na"	45.978436
"623357"	404.271518	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+2Na"	45.978436
"1122488"	150.083318	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2Na"	45.978436
"1406013"	100.391304	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H+2Na"	46.985712
"1434848"	301.200946	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H+HCOOH"	47.012746
"227827"	282.21044	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+3H2O+2H"	56.04448
"1511512"	315.25299	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+IsoProp+H"	61.06479
"412661"	285.164388	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+Na+K"	61.952376
"775481"	412.258488	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+Na+K"	61.952376
"1671811"	158.070288	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Na+K"	61.952376
"258331"	572.392168	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+ACN+Na"	64.015768
"1231039"	318.203968	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+ACN+Na"	64.015768
"1714821"	318.227493	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+NH4+HCOOH"	64.039293
"1181995"	107.718618	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+3Na"	68.967654
"1653347"	323.182888	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Na+HCOOH"	68.994688
"159842"	585.29544	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+2K-H"	76.91904
"599527"	839.48364	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+2K-H"	76.91904
"1086105"	331.10724	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2K-H"	76.91904
"146202"	293.151358	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"2M+2K"	77.926316
"584666"	420.245458	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"3M+2K"	77.926316
"1068768"	166.057258	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2K"	77.926316
"1103489"	333.121792	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2K+H"	78.933592
"1345344"	333.209407	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+DMSO+H"	79.021207
"1016063"	337.248576	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2ACN+H"	83.060376
"1529813"	338.242208	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+IsoProp+Na+H"	84.054008
"994073"	169.127926	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+2ACN+2H"	84.067652
"1596232"	339.156828	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+K+HCOOH"	84.968628
"1418614"	369.188338	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+H+CF3COOH"	115.000138
"1155462"	189.641201	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+3ACN+2H"	125.094202
"1699549"	386.214885	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+NH4+CF3COOH"	132.026685
"1647228"	391.17028	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+Na+CF3COOH"	136.98208
"1581786"	407.14422	"C17606"	"Kikkanol D"	"C15H26O3"	"254.1882"	"M+K+CF3COOH"	152.95602
"805589"	252.1725	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M"	0
"987143"	233.15411	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-H2O-H"	-19.01839
"71741"	167.107724	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M-3H"	-3.021828
"512393"	251.165224	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M-3H"	-3.021828
"886914"	83.050224	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-3H"	-3.021828
"10956"	251.165224	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M-2H"	-2.014552
"442862"	377.251474	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M-2H"	-2.014552
"826131"	125.078974	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-2H"	-2.014552
"85031"	503.337724	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M-H"	-1.007276
"528965"	755.510224	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M-H"	-1.007276
"909198"	251.165224	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-H"	-1.007276
"60048"	520.364271	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M-2H+NH4"	16.019271
"491953"	772.536771	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M-2H+NH4"	16.019271
"865382"	268.191771	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-2H+NH4"	16.019271
"35471"	525.319666	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M-2H+Na"	20.974666
"475028"	777.492166	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M-2H+Na"	20.974666
"852834"	273.147166	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-2H+Na"	20.974666
"1620180"	273.147166	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Na-2H"	20.974666
"96707"	269.153563	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M-H+Cl"	33.962126
"537359"	395.239813	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M-H+Cl"	33.962126
"930874"	143.067313	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-H+Cl"	33.962126
"270888"	539.314402	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+Cl"	34.969402
"661489"	791.486902	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+Cl"	34.969402
"1275718"	287.141902	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Cl"	34.969402
"16454"	541.293606	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M-2H+K"	36.948606
"457107"	793.466106	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M-2H+K"	36.948606
"835279"	289.121106	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-2H+K"	36.948606
"1556459"	289.121106	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+K-2H"	36.948606
"949934"	297.170694	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-H+HCOOH"	44.998194
"365963"	549.343201	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+HCOOH-H"	44.998201
"346687"	563.358851	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+Hac-H"	59.013851
"1496492"	311.186351	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Hac-H"	59.013851
"962941"	319.152651	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-H+NaCOOH"	66.980151
"120597"	287.141902	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+2Cl"	69.938804
"560159"	413.228152	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+2Cl"	69.938804
"1025676"	161.055652	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2Cl"	69.938804
"1249630"	331.091385	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Br"	78.918885
"1317547"	333.147372	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Cl+HCOOH"	80.974872
"1330668"	355.129329	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Cl+NaCOOH"	102.956829
"915169"	365.158086	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M-H+CF3COOH"	112.985586
"1292971"	401.134764	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Cl+CF3COOH"	148.962264
"1378789"	217.159824	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H-2H2O"	-35.012676
"1393005"	235.1698	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H-H2O"	-17.0027
"287223"	505.352276	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+H"	1.007276
"688395"	757.524776	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+H"	1.007276
"1363287"	253.179776	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H"	1.007276
"138732"	253.179776	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+2H"	2.014552
"577564"	379.266026	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+2H"	2.014552
"1050005"	127.093526	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2H"	2.014552
"218269"	169.122276	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+3H"	3.021828
"652362"	253.179776	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+3H"	3.021828
"1172674"	85.064776	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+3H"	3.021828
"434855"	522.378823	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+NH4"	18.033823
"791477"	774.551323	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+NH4"	18.033823
"1686714"	270.206323	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+NH4"	18.033823
"336086"	261.6930495	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+H+NH4"	19.041099
"728507"	387.7792995	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+H+NH4"	19.041099
"1488889"	135.6067995	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H+NH4"	19.041099
"401008"	527.334218	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+Na"	22.989218
"756656"	779.506718	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+Na"	22.989218
"1602932"	275.161718	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Na"	22.989218
"320147"	264.170747	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+H+Na"	23.996494
"715849"	390.256997	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+H+Na"	23.996494
"1468577"	138.084497	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H+Na"	23.996494
"1058539"	92.39209	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2H+Na"	25.00377
"1272666"	285.205986	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+CH3OH+H"	33.033486
"391935"	543.308158	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+K"	38.963158
"754092"	795.480658	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+K"	38.963158
"1552788"	291.135658	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+K"	38.963158
"309964"	272.157717	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+H+K"	39.970434
"705303"	398.243967	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+H+K"	39.970434
"1451834"	146.071467	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H+K"	39.970434
"242622"	546.378826	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+ACN+H"	42.033826
"1220800"	294.206326	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+ACN+H"	42.033826
"1205776"	147.606801	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+ACN+2H"	43.041102
"193176"	549.31616	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+2Na-H"	44.97116
"631640"	801.48866	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+2Na-H"	44.97116
"1136241"	297.14366	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2Na-H"	44.97116
"180625"	275.161718	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+2Na"	45.978436
"621280"	401.247968	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+2Na"	45.978436
"1121504"	149.075468	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2Na"	45.978436
"1402844"	99.719404	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H+2Na"	46.985712
"1433865"	299.185246	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H+HCOOH"	47.012746
"225751"	280.19474	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+3H2O+2H"	56.04448
"1511258"	313.23729	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+IsoProp+H"	61.06479
"412407"	283.148688	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+Na+K"	61.952376
"777778"	409.234938	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+Na+K"	61.952376
"1670828"	157.062438	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Na+K"	61.952376
"257348"	568.360768	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+ACN+Na"	64.015768
"1231149"	316.188268	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+ACN+Na"	64.015768
"1715662"	316.211793	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+NH4+HCOOH"	64.039293
"1182107"	107.046718	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+3Na"	68.967654
"1655282"	321.167188	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Na+HCOOH"	68.994688
"159955"	581.26404	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+2K-H"	76.91904
"602797"	833.43654	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+2K-H"	76.91904
"1089496"	329.09154	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2K-H"	76.91904
"150686"	291.135658	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"2M+2K"	77.926316
"582952"	417.221908	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"3M+2K"	77.926316
"1069044"	165.049408	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2K"	77.926316
"1101287"	331.106092	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2K+H"	78.933592
"1341080"	331.193707	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+DMSO+H"	79.021207
"1007420"	335.232876	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2ACN+H"	83.060376
"1529923"	336.226508	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+IsoProp+Na+H"	84.054008
"991996"	168.120076	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+2ACN+2H"	84.067652
"1590875"	337.141128	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+K+HCOOH"	84.968628
"1418724"	367.172638	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+H+CF3COOH"	115.000138
"1155572"	188.633351	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+3ACN+2H"	125.094202
"1702939"	384.199185	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+NH4+CF3COOH"	132.026685
"1647338"	389.15458	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+Na+CF3COOH"	136.98208
"1581896"	405.12852	"C17607"	"Kikkanol E"	"C15H24O3"	"252.1725"	"M+K+CF3COOH"	152.95602
"802419"	254.1882	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M"	0
"985794"	235.16981	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-H2O-H"	-19.01839
"71851"	168.451524	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M-3H"	-3.021828
"512503"	253.180924	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M-3H"	-3.021828
"887024"	83.722124	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-3H"	-3.021828
"7786"	253.180924	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M-2H"	-2.014552
"445159"	380.275024	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M-2H"	-2.014552
"829521"	126.086824	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-2H"	-2.014552
"93284"	507.369124	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M-H"	-1.007276
"532603"	761.557324	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M-H"	-1.007276
"909676"	253.180924	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-H"	-1.007276
"62230"	524.395671	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M-2H+NH4"	16.019271
"498260"	778.583871	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M-2H+NH4"	16.019271
"874239"	270.207471	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-2H+NH4"	16.019271
"43235"	529.351066	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M-2H+Na"	20.974666
"479511"	783.539266	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M-2H+Na"	20.974666
"855129"	275.162866	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-2H+Na"	20.974666
"1623568"	275.162866	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Na-2H"	20.974666
"102284"	271.169263	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M-H+Cl"	33.962126
"544031"	398.263363	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M-H+Cl"	33.962126
"935357"	144.075163	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-H+Cl"	33.962126
"273917"	543.345802	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+Cl"	34.969402
"667065"	797.534002	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+Cl"	34.969402
"1277286"	289.157602	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Cl"	34.969402
"18022"	545.325006	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M-2H+K"	36.948606
"457097"	799.513206	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M-2H+K"	36.948606
"833324"	291.136806	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-2H+K"	36.948606
"1558880"	291.136806	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+K-2H"	36.948606
"950044"	299.186394	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-H+HCOOH"	44.998194
"363886"	553.374601	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+HCOOH-H"	44.998201
"349956"	567.390251	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+Hac-H"	59.013851
"1502070"	313.202051	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Hac-H"	59.013851
"963051"	321.168351	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-H+NaCOOH"	66.980151
"120707"	289.157602	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+2Cl"	69.938804
"562456"	416.251702	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+2Cl"	69.938804
"1027973"	162.063502	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2Cl"	69.938804
"1251928"	333.107085	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Br"	78.918885
"1314378"	335.163072	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Cl+HCOOH"	80.974872
"1332966"	357.145029	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Cl+NaCOOH"	102.956829
"915279"	367.173786	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M-H+CF3COOH"	112.985586
"1291986"	403.150464	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Cl+CF3COOH"	148.962264
"1375618"	219.175524	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H-2H2O"	-35.012676
"1388740"	237.1855	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H-H2O"	-17.0027
"287333"	509.383676	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+H"	1.007276
"689234"	763.571876	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+H"	1.007276
"1365948"	255.195476	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H"	1.007276
"139935"	255.195476	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+2H"	2.014552
"579131"	382.289576	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+2H"	2.014552
"1050481"	128.101376	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2H"	2.014552
"219475"	170.466076	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+3H"	3.021828
"652472"	255.195476	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+3H"	3.021828
"1174971"	85.736676	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+3H"	3.021828
"431684"	526.410223	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+NH4"	18.033823
"792680"	780.598423	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+NH4"	18.033823
"1686824"	272.222023	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+NH4"	18.033823
"337290"	263.7087495	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+H+NH4"	19.041099
"735179"	390.8028495	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+H+NH4"	19.041099
"1487906"	136.6146495	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H+NH4"	19.041099
"401118"	531.365618	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+Na"	22.989218
"763207"	785.553818	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+Na"	22.989218
"1603409"	277.177418	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Na"	22.989218
"314907"	266.186447	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+H+Na"	23.996494
"709397"	393.280547	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+H+Na"	23.996494
"1469779"	139.092347	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H+Na"	23.996494
"1058649"	93.06399	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2H+Na"	25.00377
"1271274"	287.221686	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+CH3OH+H"	33.033486
"392533"	547.339558	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+K"	38.963158
"754053"	801.527758	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+K"	38.963158
"1550711"	293.151358	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+K"	38.963158
"310074"	274.173417	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+H+K"	39.970434
"701402"	401.267517	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+H+K"	39.970434
"1453037"	147.079317	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H+K"	39.970434
"239452"	550.410226	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+ACN+H"	42.033826
"1223098"	296.222026	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+ACN+H"	42.033826
"1203700"	148.614651	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+ACN+2H"	43.041102
"193286"	553.34756	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+2Na-H"	44.97116
"632115"	807.53576	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+2Na-H"	44.97116
"1135985"	299.15936	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2Na-H"	44.97116
"179642"	277.177418	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+2Na"	45.978436
"619202"	404.271518	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+2Na"	45.978436
"1120521"	150.083318	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2Na"	45.978436
"1401860"	100.391304	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H+2Na"	46.985712
"1432882"	301.200946	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H+HCOOH"	47.012746
"222578"	282.21044	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+3H2O+2H"	56.04448
"1509909"	315.25299	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+IsoProp+H"	61.06479
"412517"	285.164388	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+Na+K"	61.952376
"774607"	412.258488	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+Na+K"	61.952376
"1668750"	158.070288	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Na+K"	61.952376
"254177"	572.392168	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+ACN+Na"	64.015768
"1230165"	318.203968	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+ACN+Na"	64.015768
"1714676"	318.227493	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+NH4+HCOOH"	64.039293
"1184403"	107.718618	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+3Na"	68.967654
"1652837"	323.182888	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Na+HCOOH"	68.994688
"160064"	585.29544	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+2K-H"	76.91904
"598409"	839.48364	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+2K-H"	76.91904
"1090699"	331.10724	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2K-H"	76.91904
"150068"	293.151358	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"2M+2K"	77.926316
"583794"	420.245458	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"3M+2K"	77.926316
"1069036"	166.057258	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2K"	77.926316
"1100418"	333.121792	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2K+H"	78.933592
"1342283"	333.209407	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+DMSO+H"	79.021207
"1008259"	337.248576	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2ACN+H"	83.060376
"1526752"	338.242208	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+IsoProp+Na+H"	84.054008
"991376"	169.127926	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+2ACN+2H"	84.067652
"1589525"	339.156828	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+K+HCOOH"	84.968628
"1419926"	369.188338	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+H+CF3COOH"	115.000138
"1155682"	189.641201	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+3ACN+2H"	125.094202
"1703049"	386.214885	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+NH4+CF3COOH"	132.026685
"1647448"	391.17028	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+Na+CF3COOH"	136.98208
"1582006"	407.14422	"C17608"	"Kikkanol F"	"C15H26O3"	"254.1882"	"M+K+CF3COOH"	152.95602
"802529"	234.162	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M"	0
"989352"	215.14361	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"74149"	155.100724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"512614"	233.154724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"890414"	77.046724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"7896"	233.154724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"451830"	350.235724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"829632"	116.073724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"92425"	467.316724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"533570"	701.478724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"909427"	233.154724	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"60878"	484.343271	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"499709"	718.505271	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"877877"	250.181271	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"44683"	489.298666	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"481810"	723.460666	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"857426"	255.136666	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1628052"	255.136666	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"108350"	251.143063	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"540859"	368.224063	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"934375"	134.062063	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"272934"	503.293402	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"668633"	737.455402	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1276667"	269.131402	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"17041"	505.272606	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"456841"	739.434606	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"832986"	271.110606	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1562271"	271.110606	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"950154"	279.160194	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"363996"	513.322201	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"350066"	527.337851	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1502180"	293.175851	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"965349"	301.142151	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"121548"	269.131402	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"560380"	386.212402	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1032460"	152.050402	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1253861"	313.080885	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1318499"	315.136872	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1330891"	337.118829	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"919763"	347.147586	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1293189"	383.124264	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1372448"	199.149324	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1387756"	217.1593	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"285257"	469.331276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"688252"	703.493276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1361682"	235.169276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H"	1.007276
"138948"	235.169276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"580335"	352.250276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1050956"	118.088276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"218127"	157.115276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"657322"	235.169276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1171802"	79.061276	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"433982"	486.357823	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"800445"	720.519823	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1684747"	252.195823	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"338493"	243.6825495	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"734196"	360.7635495	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1484735"	126.6015495	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"403416"	491.313218	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"760037"	725.475218	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1610326"	257.151218	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"318174"	246.160247	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"710596"	363.241247	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1467702"	129.079247	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1057666"	86.38859	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1269198"	267.195486	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"392626"	507.287158	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"753875"	741.449158	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1551914"	273.125158	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+K"	38.963158
"310184"	254.147217	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"701512"	371.228217	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1458250"	137.066217	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"243936"	510.357826	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1218834"	276.195826	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1201624"	138.601551	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"197769"	513.29516	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"636234"	747.45716	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1139741"	279.13316	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"183032"	257.151218	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"620405"	374.232218	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1120630"	140.070218	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1401966"	93.715904	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1434084"	281.174746	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"225969"	262.18424	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1512937"	295.22679	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"413720"	265.138188	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"776540"	382.219188	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1671047"	148.057188	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"254287"	532.339768	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1231369"	298.177768	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1715880"	298.201293	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1186338"	101.043218	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1654408"	303.156688	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"162364"	545.24304	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"608121"	779.40504	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1094456"	311.08104	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"149450"	273.125158	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"587916"	390.206158	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1072793"	156.044158	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1101263"	313.095592	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1340206"	313.183207	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1006789"	317.222376	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1524461"	318.216008	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"990752"	159.114826	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1588180"	319.130628	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1416756"	349.162138	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1148865"	179.628101	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1703159"	366.188685	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1647558"	371.14408	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1582116"	387.11802	"C17609"	"Chrysantherol"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"809200"	254.1882	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M"	0
"987108"	235.16981	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-H2O-H"	-19.01839
"73166"	168.451524	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M-3H"	-3.021828
"518279"	253.180924	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M-3H"	-3.021828
"894785"	83.722124	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-3H"	-3.021828
"10197"	253.180924	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M-2H"	-2.014552
"451942"	380.275024	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M-2H"	-2.014552
"831931"	126.086824	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-2H"	-2.014552
"93752"	507.369124	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M-H"	-1.007276
"533644"	761.557324	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M-H"	-1.007276
"910517"	253.180924	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-H"	-1.007276
"62204"	524.395671	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M-2H+NH4"	16.019271
"500913"	778.583871	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M-2H+NH4"	16.019271
"874461"	270.207471	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-2H+NH4"	16.019271
"44549"	529.351066	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M-2H+Na"	20.974666
"485203"	783.539266	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M-2H+Na"	20.974666
"852072"	275.162866	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-2H+Na"	20.974666
"1624885"	275.162866	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Na-2H"	20.974666
"105787"	271.169263	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M-H+Cl"	33.962126
"540973"	398.263363	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M-H+Cl"	33.962126
"935581"	144.075163	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-H+Cl"	33.962126
"276323"	543.345802	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+Cl"	34.969402
"664377"	797.534002	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+Cl"	34.969402
"1280060"	289.157602	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Cl"	34.969402
"18242"	545.325006	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M-2H+K"	36.948606
"464365"	799.513206	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M-2H+K"	36.948606
"832976"	291.136806	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-2H+K"	36.948606
"1556300"	291.136806	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+K-2H"	36.948606
"943821"	299.186394	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-H+HCOOH"	44.998194
"366292"	553.374601	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+HCOOH-H"	44.998201
"346161"	567.390251	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+Hac-H"	59.013851
"1505208"	313.202051	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Hac-H"	59.013851
"973486"	321.168351	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-H+NaCOOH"	66.980151
"122023"	289.157602	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+2Cl"	69.938804
"565108"	416.251702	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+2Cl"	69.938804
"1035489"	162.063502	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2Cl"	69.938804
"1254336"	333.107085	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Br"	78.918885
"1313507"	335.163072	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Cl+HCOOH"	80.974872
"1332825"	357.145029	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Cl+NaCOOH"	102.956829
"916593"	367.173786	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M-H+CF3COOH"	112.985586
"1299864"	403.150464	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Cl+CF3COOH"	148.962264
"1381672"	219.175524	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H-2H2O"	-35.012676
"1387867"	237.1855	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H-H2O"	-17.0027
"293022"	509.383676	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+H"	1.007276
"689828"	763.571876	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+H"	1.007276
"1365442"	255.195476	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H"	1.007276
"139060"	255.195476	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+2H"	2.014552
"576430"	382.289576	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+2H"	2.014552
"1052408"	128.101376	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2H"	2.014552
"219929"	170.466076	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+3H"	3.021828
"653786"	255.195476	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+3H"	3.021828
"1173005"	85.736676	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+3H"	3.021828
"435185"	526.410223	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+NH4"	18.033823
"792900"	780.598423	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+NH4"	18.033823
"1685585"	272.222023	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+NH4"	18.033823
"342976"	263.7087495	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+H+NH4"	19.041099
"727744"	390.8028495	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+H+NH4"	19.041099
"1481562"	136.6146495	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H+NH4"	19.041099
"402432"	531.365618	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+Na"	22.989218
"761239"	785.553818	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+Na"	22.989218
"1615906"	277.177418	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Na"	22.989218
"323753"	266.186447	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+H+Na"	23.996494
"711804"	393.280547	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+H+Na"	23.996494
"1465621"	139.092347	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H+Na"	23.996494
"1059962"	93.06399	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2H+Na"	25.00377
"1270398"	287.221686	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+CH3OH+H"	33.033486
"390072"	547.339558	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+K"	38.963158
"753256"	801.527758	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+K"	38.963158
"1552024"	293.151358	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+K"	38.963158
"310659"	274.173417	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+H+K"	39.970434
"701622"	401.267517	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+H+K"	39.970434
"1456537"	147.079317	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H+K"	39.970434
"242953"	550.410226	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+ACN+H"	42.033826
"1216757"	296.222026	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+ACN+H"	42.033826
"1200640"	148.614651	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+ACN+2H"	43.041102
"200066"	553.34756	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+2Na-H"	44.97116
"636346"	807.53576	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+2Na-H"	44.97116
"1143136"	299.15936	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2Na-H"	44.97116
"184601"	277.177418	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+2Na"	45.978436
"622702"	404.271518	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+2Na"	45.978436
"1126211"	150.083318	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2Na"	45.978436
"1407546"	100.391304	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H+2Na"	46.985712
"1437842"	301.200946	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H+HCOOH"	47.012746
"227172"	282.21044	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+3H2O+2H"	56.04448
"1515233"	315.25299	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+IsoProp+H"	61.06479
"417109"	285.164388	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+Na+K"	61.952376
"781754"	412.258488	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+Na+K"	61.952376
"1670065"	158.070288	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Na+K"	61.952376
"257678"	572.392168	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+ACN+Na"	64.015768
"1232572"	318.203968	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+ACN+Na"	64.015768
"1720000"	318.227493	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+NH4+HCOOH"	64.039293
"1189729"	107.718618	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+3Na"	68.967654
"1658529"	323.182888	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Na+HCOOH"	68.994688
"163567"	585.29544	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+2K-H"	76.91904
"606044"	839.48364	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+2K-H"	76.91904
"1096024"	331.10724	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2K-H"	76.91904
"148466"	293.151358	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"2M+2K"	77.926316
"590577"	420.245458	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"3M+2K"	77.926316
"1072904"	166.057258	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2K"	77.926316
"1102834"	333.121792	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2K+H"	78.933592
"1339223"	333.209407	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+DMSO+H"	79.021207
"1006654"	337.248576	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2ACN+H"	83.060376
"1524260"	338.242208	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+IsoProp+Na+H"	84.054008
"990208"	169.127926	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+2ACN+2H"	84.067652
"1590475"	339.156828	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+K+HCOOH"	84.968628
"1416866"	369.188338	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+H+CF3COOH"	115.000138
"1148247"	189.641201	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+3ACN+2H"	125.094202
"1703269"	386.214885	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+NH4+CF3COOH"	132.026685
"1647668"	391.17028	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+Na+CF3COOH"	136.98208
"1582226"	407.14422	"C17610"	"Chrysanthetriol"	"C15H26O3"	"254.1882"	"M+K+CF3COOH"	152.95602
"802749"	154.1358	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M"	0
"985030"	135.11741	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"74369"	101.749924	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"515021"	153.128524	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"887356"	50.371324	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"7024"	153.128524	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"445490"	230.196424	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"828760"	76.060624	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"89848"	307.264324	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"532689"	461.400124	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"906117"	153.128524	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"57209"	324.290871	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"496769"	478.426671	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"874570"	170.155071	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"43564"	329.246266	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"484219"	483.382066	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"851452"	175.110466	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1624995"	175.110466	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"101523"	171.116863	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"539988"	248.184763	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"931318"	94.048963	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"274247"	343.241002	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"662300"	497.376802	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1276156"	189.105202	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"17742"	345.220206	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"459007"	499.356006	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"833165"	191.084406	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1556410"	191.084406	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"943810"	199.133994	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"367496"	353.269801	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"346276"	367.285451	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1502402"	213.149651	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"968849"	221.115951	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"122131"	189.105202	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"561694"	266.173102	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1032680"	112.037302	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1254446"	233.054685	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1315802"	235.110672	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1332935"	257.092629	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"917796"	267.121386	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1296693"	303.098064	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1375949"	119.123124	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1392350"	137.1331	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"294956"	309.278876	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"690663"	463.414676	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1365552"	155.143076	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"138807"	155.143076	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"573260"	232.210976	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1052272"	78.075176	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"219442"	103.764476	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"653532"	155.143076	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1167648"	52.385876	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"433838"	326.305423	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"791916"	480.441223	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1685331"	172.169623	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"343086"	163.6563495	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"727854"	240.7242495	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1481673"	86.5884495	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"402542"	331.260818	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"759161"	485.396618	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1616747"	177.125018	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"322772"	166.134047	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"713008"	243.201947	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1466827"	89.066147	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1060074"	59.71319	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1260663"	187.169286	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"389089"	347.234758	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"751176"	501.370558	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1551040"	193.098958	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"311133"	174.121017	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"701732"	251.188917	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1457741"	97.053117	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"245249"	350.305426	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1213586"	196.169626	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1197469"	98.588451	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"199082"	353.24276	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"637549"	507.37856	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1139963"	199.10696	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"179605"	177.125018	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"621717"	254.192918	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1121212"	100.057118	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1407655"	67.040504	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1437583"	201.148546	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"226189"	182.15804	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1512064"	215.20059	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"416126"	185.111988	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"781501"	262.179888	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1677102"	108.044088	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"259975"	372.287368	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1231589"	218.151568	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1721568"	218.175093	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1188017"	74.367818	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1657910"	223.130488	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"163677"	385.19064	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"610163"	539.32644	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1097957"	231.05484	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"148940"	193.098958	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"590687"	270.166858	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1073014"	116.031058	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1105131"	233.069392	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1338968"	233.157007	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1006278"	237.196176	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1524261"	238.189808	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"990236"	119.101726	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1589127"	239.104428	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1416976"	269.135938	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1147299"	139.615001	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1706659"	286.162485	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1647778"	291.11788	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1582336"	307.09182	"C17611"	"Chrysanthemol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"816593"	252.1725	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M"	0
"986236"	233.15411	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-H2O-H"	-19.01839
"72290"	167.107724	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M-3H"	-3.021828
"516226"	251.165224	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M-3H"	-3.021828
"889655"	83.050224	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-3H"	-3.021828
"12602"	251.165224	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M-2H"	-2.014552
"451068"	377.251474	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M-2H"	-2.014552
"829965"	125.078974	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-2H"	-2.014552
"89954"	503.337724	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M-H"	-1.007276
"529514"	755.510224	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M-H"	-1.007276
"909505"	251.165224	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-H"	-1.007276
"61453"	520.364271	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M-2H+NH4"	16.019271
"501132"	772.536771	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M-2H+NH4"	16.019271
"877596"	268.191771	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-2H+NH4"	16.019271
"42580"	525.319666	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M-2H+Na"	20.974666
"484695"	777.492166	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M-2H+Na"	20.974666
"857758"	273.147166	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-2H+Na"	20.974666
"1630572"	273.147166	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Na-2H"	20.974666
"103820"	269.153563	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M-H+Cl"	33.962126
"539007"	395.239813	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M-H+Cl"	33.962126
"933616"	143.067313	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-H+Cl"	33.962126
"273264"	539.314402	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+Cl"	34.969402
"663504"	791.486902	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+Cl"	34.969402
"1278090"	287.141902	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Cl"	34.969402
"16640"	541.293606	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M-2H+K"	36.948606
"456930"	793.466106	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M-2H+K"	36.948606
"835831"	289.121106	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-2H+K"	36.948606
"1558587"	289.121106	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+K-2H"	36.948606
"946107"	297.170694	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-H+HCOOH"	44.998194
"371979"	549.343201	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+HCOOH-H"	44.998201
"352582"	563.358851	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+Hac-H"	59.013851
"1502511"	311.186351	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Hac-H"	59.013851
"968595"	319.152651	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-H+NaCOOH"	66.980151
"121877"	287.141902	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+2Cl"	69.938804
"560709"	413.228152	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+2Cl"	69.938804
"1023310"	161.055652	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2Cl"	69.938804
"1249088"	331.091385	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Br"	78.918885
"1315912"	333.147372	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Cl+HCOOH"	80.974872
"1331952"	355.129329	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Cl+NaCOOH"	102.956829
"917178"	365.158086	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M-H+CF3COOH"	112.985586
"1290606"	401.134764	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Cl+CF3COOH"	148.962264
"1372048"	217.159824	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H-2H2O"	-35.012676
"1396840"	235.1698	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H-H2O"	-17.0027
"295430"	505.352276	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+H"	1.007276
"690046"	757.524776	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+H"	1.007276
"1365666"	253.179776	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H"	1.007276
"138556"	253.179776	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+2H"	2.014552
"579208"	379.266026	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+2H"	2.014552
"1048006"	127.093526	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2H"	2.014552
"219068"	169.122276	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+3H"	3.021828
"649631"	253.179776	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+3H"	3.021828
"1168850"	85.064776	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+3H"	3.021828
"433947"	522.378823	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+NH4"	18.033823
"792024"	774.551323	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+NH4"	18.033823
"1684347"	270.206323	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+NH4"	18.033823
"336633"	261.6930495	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+H+NH4"	19.041099
"729058"	387.7792995	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+H+NH4"	19.041099
"1490535"	135.6067995	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H+NH4"	19.041099
"407642"	527.334218	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+Na"	22.989218
"767660"	779.506718	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+Na"	22.989218
"1616854"	275.161718	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Na"	22.989218
"322882"	264.170747	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+H+Na"	23.996494
"714207"	390.256997	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+H+Na"	23.996494
"1463657"	138.084497	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H+Na"	23.996494
"1065651"	92.39209	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2H+Na"	25.00377
"1260042"	285.205986	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+CH3OH+H"	33.033486
"388105"	543.308158	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+K"	38.963158
"748004"	795.480658	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+K"	38.963158
"1552247"	291.135658	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+K"	38.963158
"311608"	272.157717	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+H+K"	39.970434
"705125"	398.243967	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+H+K"	39.970434
"1447281"	146.071467	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H+K"	39.970434
"238798"	546.378826	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+ACN+H"	42.033826
"1213692"	294.206326	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+ACN+H"	42.033826
"1200855"	147.606801	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+ACN+2H"	43.041102
"197005"	549.31616	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+2Na-H"	44.97116
"635470"	801.48866	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+2Na-H"	44.97116
"1136792"	297.14366	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2Na-H"	44.97116
"180079"	275.161718	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+2Na"	45.978436
"618546"	401.247968	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+2Na"	45.978436
"1120957"	149.075468	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2Na"	45.978436
"1400716"	99.719404	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H+2Na"	46.985712
"1436599"	299.185246	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H+HCOOH"	47.012746
"226299"	280.19474	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+3H2O+2H"	56.04448
"1513267"	313.23729	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+IsoProp+H"	61.06479
"415143"	283.148688	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+Na+K"	61.952376
"778325"	409.234938	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+Na+K"	61.952376
"1675752"	157.062438	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Na+K"	61.952376
"262272"	568.360768	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+ACN+Na"	64.015768
"1236074"	316.188268	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+ACN+Na"	64.015768
"1719492"	316.211793	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+NH4+HCOOH"	64.039293
"1190680"	107.046718	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+3Na"	68.967654
"1656928"	321.167188	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Na+HCOOH"	68.994688
"169985"	581.26404	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+2K-H"	76.91904
"611368"	833.43654	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+2K-H"	76.91904
"1097704"	329.09154	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2K-H"	76.91904
"154153"	291.135658	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"2M+2K"	77.926316
"596267"	417.221908	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"3M+2K"	77.926316
"1075312"	165.049408	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2K"	77.926316
"1110708"	331.106092	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2K+H"	78.933592
"1339442"	331.193707	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+DMSO+H"	79.021207
"1006388"	335.232876	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2ACN+H"	83.060376
"1524185"	336.226508	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+IsoProp+Na+H"	84.054008
"990122"	168.120076	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+2ACN+2H"	84.067652
"1589237"	337.141128	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+K+HCOOH"	84.968628
"1414287"	367.172638	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+H+CF3COOH"	115.000138
"1147372"	188.633351	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+3ACN+2H"	125.094202
"1706769"	384.199185	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+NH4+CF3COOH"	132.026685
"1647888"	389.15458	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+Na+CF3COOH"	136.98208
"1582446"	405.12852	"C17612"	"Indicumenone"	"C15H24O3"	"252.1725"	"M+K+CF3COOH"	152.95602
"802969"	552.2723	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M"	0
"984157"	533.25391	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-H2O-H"	-19.01839
"69121"	367.174257333333	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M-3H"	-3.021828
"509774"	551.265024	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M-3H"	-3.021828
"893044"	183.083490666667	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-3H"	-3.021828
"10525"	551.265024	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M-2H"	-2.014552
"448990"	827.401174	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M-2H"	-2.014552
"828981"	275.128874	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-2H"	-2.014552
"92009"	1103.537324	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M-H"	-1.007276
"529624"	1655.809624	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M-H"	-1.007276
"908887"	551.265024	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-H"	-1.007276
"60590"	1120.563871	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M-2H+NH4"	16.019271
"499906"	1672.836171	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M-2H+NH4"	16.019271
"877833"	568.291571	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-2H+NH4"	16.019271
"42690"	1125.519266	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M-2H+Na"	20.974666
"485661"	1677.791566	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M-2H+Na"	20.974666
"858963"	573.246966	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-2H+Na"	20.974666
"1629589"	573.246966	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Na-2H"	20.974666
"100652"	569.253363	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M-H+Cl"	33.962126
"541301"	845.389513	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M-H+Cl"	33.962126
"934820"	293.117213	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-H+Cl"	33.962126
"274467"	1139.514002	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+Cl"	34.969402
"667985"	1691.786302	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+Cl"	34.969402
"1282577"	587.241702	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Cl"	34.969402
"17481"	1141.493206	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M-2H+K"	36.948606
"461415"	1693.765506	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M-2H+K"	36.948606
"837030"	589.220906	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-2H+K"	36.948606
"1559428"	589.220906	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+K-2H"	36.948606
"942944"	597.270494	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-H+HCOOH"	44.998194
"366622"	1149.542801	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+HCOOH-H"	44.998201
"351599"	1163.558451	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+Hac-H"	59.013851
"1501527"	611.286151	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Hac-H"	59.013851
"972960"	619.252451	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-H+NaCOOH"	66.980151
"122352"	587.241702	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+2Cl"	69.938804
"560819"	863.377852	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+2Cl"	69.938804
"1024149"	311.105552	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2Cl"	69.938804
"1249198"	631.191185	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Br"	78.918885
"1316022"	633.247172	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Cl+HCOOH"	80.974872
"1332426"	655.229129	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Cl+NaCOOH"	102.956829
"923485"	665.257886	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M-H+CF3COOH"	112.985586
"1291445"	701.234564	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Cl+CF3COOH"	148.962264
"1375075"	517.259624	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H-2H2O"	-35.012676
"1397315"	535.2696	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H-H2O"	-17.0027
"295176"	1105.551876	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+H"	1.007276
"691008"	1657.824176	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+H"	1.007276
"1364315"	553.279576	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H"	1.007276
"140247"	553.279576	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+2H"	2.014552
"580414"	829.415726	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+2H"	2.014552
"1048482"	277.143426	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2H"	2.014552
"217840"	369.188809333333	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+3H"	3.021828
"654481"	553.279576	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+3H"	3.021828
"1172240"	185.098042666667	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+3H"	3.021828
"435151"	1122.578423	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+NH4"	18.033823
"794323"	1674.850723	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+NH4"	18.033823
"1685187"	570.306123	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+NH4"	18.033823
"336743"	561.7928495	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+H+NH4"	19.041099
"729168"	837.9289995	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+H+NH4"	19.041099
"1487001"	285.6566995	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H+NH4"	19.041099
"407389"	1127.533818	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+Na"	22.989218
"767043"	1679.806118	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+Na"	22.989218
"1616237"	575.261518	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Na"	22.989218
"326640"	564.270547	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+H+Na"	23.996494
"715415"	840.406697	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+H+Na"	23.996494
"1468141"	288.134397	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H+Na"	23.996494
"1060294"	192.425356666667	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2H+Na"	25.00377
"1267084"	585.305786	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+CH3OH+H"	33.033486
"389308"	1143.507758	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+K"	38.963158
"749937"	1695.780058	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+K"	38.963158
"1551261"	591.235458	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+K"	38.963158
"309529"	572.257517	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+H+K"	39.970434
"703047"	848.393667	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+H+K"	39.970434
"1455774"	296.121367	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H+K"	39.970434
"238910"	1146.578426	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+ACN+H"	42.033826
"1212710"	594.306126	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+ACN+H"	42.033826
"1199871"	297.656701	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+ACN+2H"	43.041102
"197113"	1149.51576	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+2Na-H"	44.97116
"633392"	1701.78806	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+2Na-H"	44.97116
"1136899"	597.24346	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2Na-H"	44.97116
"179095"	575.261518	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+2Na"	45.978436
"619749"	851.397668	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+2Na"	45.978436
"1119977"	299.125368	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2Na"	45.978436
"1399614"	199.752670666667	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H+2Na"	46.985712
"1431364"	599.285046	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H+HCOOH"	47.012746
"230424"	580.29454	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+3H2O+2H"	56.04448
"1519580"	613.33709	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+IsoProp+H"	61.06479
"416349"	583.248488	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+Na+K"	61.952376
"781720"	859.384638	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+Na+K"	61.952376
"1675498"	307.112338	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Na+K"	61.952376
"264207"	1168.560368	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+ACN+Na"	64.015768
"1235091"	616.288068	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+ACN+Na"	64.015768
"1724344"	616.311593	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+NH4+HCOOH"	64.039293
"1191156"	207.079984666667	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+3Na"	68.967654
"1661411"	621.266988	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Na+HCOOH"	68.994688
"169366"	1181.46364	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+2K-H"	76.91904
"612210"	1733.73594	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+2K-H"	76.91904
"1098545"	629.19134	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2K-H"	76.91904
"156212"	591.235458	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"2M+2K"	77.926316
"594191"	867.371608	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"3M+2K"	77.926316
"1077609"	315.099308	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2K"	77.926316
"1100976"	631.205892	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2K+H"	78.933592
"1340645"	631.293507	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+DMSO+H"	79.021207
"1008081"	635.332676	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2ACN+H"	83.060376
"1529489"	636.326308	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+IsoProp+Na+H"	84.054008
"991925"	318.169976	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+2ACN+2H"	84.067652
"1589347"	637.240928	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+K+HCOOH"	84.968628
"1417196"	667.272438	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+H+CF3COOH"	115.000138
"1147149"	338.683251	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+3ACN+2H"	125.094202
"1705785"	684.298985	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+NH4+CF3COOH"	132.026685
"1647998"	689.25438	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+Na+CF3COOH"	136.98208
"1582556"	705.22832	"C17613"	"Handelin"	"C32H40O8"	"552.2723"	"M+K+CF3COOH"	152.95602
"803079"	422.2152	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M"	0
"984267"	403.19681	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-H2O-H"	-19.01839
"72512"	280.469524	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M-3H"	-3.021828
"516446"	421.207924	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M-3H"	-3.021828
"894247"	139.731124	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-3H"	-3.021828
"11727"	421.207924	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M-2H"	-2.014552
"449099"	632.315524	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M-2H"	-2.014552
"823622"	210.100324	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-2H"	-2.014552
"92361"	843.423124	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M-H"	-1.007276
"526454"	1265.638324	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M-H"	-1.007276
"905349"	421.207924	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-H"	-1.007276
"57539"	860.449671	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M-2H+NH4"	16.019271
"500379"	1282.664871	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M-2H+NH4"	16.019271
"878181"	438.234471	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-2H+NH4"	16.019271
"45353"	865.405066	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M-2H+Na"	20.974666
"485646"	1287.620266	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M-2H+Na"	20.974666
"860896"	443.189866	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-2H+Na"	20.974666
"1631522"	443.189866	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Na-2H"	20.974666
"101855"	439.196263	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M-H+Cl"	33.962126
"540319"	650.303863	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M-H+Cl"	33.962126
"931650"	228.088663	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-H+Cl"	33.962126
"269840"	879.399802	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+Cl"	34.969402
"667003"	1301.615002	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+Cl"	34.969402
"1280500"	457.184602	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Cl"	34.969402
"16132"	881.379006	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M-2H+K"	36.948606
"461526"	1303.594206	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M-2H+K"	36.948606
"833008"	459.163806	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-2H+K"	36.948606
"1559539"	459.163806	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+K-2H"	36.948606
"951797"	467.213394	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-H+HCOOH"	44.998194
"363453"	889.428601	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+HCOOH-H"	44.998201
"354989"	903.444251	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+Hac-H"	59.013851
"1504917"	481.229051	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Hac-H"	59.013851
"973070"	489.195351	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-H+NaCOOH"	66.980151
"121369"	457.184602	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+2Cl"	69.938804
"564211"	668.292202	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+2Cl"	69.938804
"1034103"	246.077002	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2Cl"	69.938804
"1254776"	501.134085	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Br"	78.918885
"1315039"	503.190072	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Cl+HCOOH"	80.974872
"1329257"	525.172029	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Cl+NaCOOH"	102.956829
"918124"	535.200786	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M-H+CF3COOH"	112.985586
"1293742"	571.177464	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Cl+CF3COOH"	148.962264
"1379196"	387.202524	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H-2H2O"	-35.012676
"1397549"	405.2125	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H-H2O"	-17.0027
"297839"	845.437676	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+H"	1.007276
"690629"	1267.652876	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+H"	1.007276
"1364786"	423.222476	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H"	1.007276
"139871"	423.222476	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+2H"	2.014552
"580523"	634.330076	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+2H"	2.014552
"1048592"	212.114876	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2H"	2.014552
"218316"	282.484076	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+3H"	3.021828
"656049"	423.222476	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+3H"	3.021828
"1173443"	141.745676	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+3H"	3.021828
"435625"	862.464223	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+NH4"	18.033823
"795526"	1284.679423	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+NH4"	18.033823
"1687484"	440.249023	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+NH4"	18.033823
"336853"	431.7357495	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+H+NH4"	19.041099
"728185"	642.8433495	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+H+NH4"	19.041099
"1487475"	220.6281495	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H+NH4"	19.041099
"407624"	867.419618	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+Na"	22.989218
"767517"	1289.634818	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+Na"	22.989218
"1616957"	445.204418	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Na"	22.989218
"326386"	434.213447	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+H+Na"	23.996494
"719898"	645.321047	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+H+Na"	23.996494
"1472263"	223.105847	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H+Na"	23.996494
"1060406"	149.07299	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2H+Na"	25.00377
"1265370"	455.248686	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+CH3OH+H"	33.033486
"386136"	883.393558	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+K"	38.963158
"748224"	1305.608758	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+K"	38.963158
"1548089"	461.178358	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+K"	38.963158
"308546"	442.200417	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+H+K"	39.970434
"698783"	653.308017	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+H+K"	39.970434
"1453697"	231.092817	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H+K"	39.970434
"237555"	886.464226	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+ACN+H"	42.033826
"1210632"	464.249026	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+ACN+H"	42.033826
"1199981"	232.628151	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+ACN+2H"	43.041102
"197223"	889.40156	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+2Na-H"	44.97116
"634596"	1311.61676	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+2Na-H"	44.97116
"1134823"	467.18636	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2Na-H"	44.97116
"176289"	445.204418	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+2Na"	45.978436
"615484"	656.312018	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+2Na"	45.978436
"1117291"	234.096818	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2Na"	45.978436
"1399842"	156.400304	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H+2Na"	46.985712
"1430623"	469.227946	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H+HCOOH"	47.012746
"230534"	450.23744	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+3H2O+2H"	56.04448
"1518596"	483.27999	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+IsoProp+H"	61.06479
"417552"	453.191388	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+Na+K"	61.952376
"782193"	664.298988	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+Na+K"	61.952376
"1676701"	242.083788	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Na+K"	61.952376
"260305"	908.446168	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+ACN+Na"	64.015768
"1234837"	486.230968	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+ACN+Na"	64.015768
"1725547"	486.254493	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+NH4+HCOOH"	64.039293
"1192358"	163.727618	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+3Na"	68.967654
"1657148"	491.209888	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Na+HCOOH"	68.994688
"170206"	921.34944	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+2K-H"	76.91904
"610131"	1343.56464	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+2K-H"	76.91904
"1095735"	499.13424	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2K-H"	76.91904
"156690"	461.178358	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"2M+2K"	77.926316
"594300"	672.285958	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"3M+2K"	77.926316
"1080999"	250.070758	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2K"	77.926316
"1103273"	501.148792	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2K+H"	78.933592
"1340027"	501.236407	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+DMSO+H"	79.021207
"1011472"	505.275576	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2ACN+H"	83.060376
"1526318"	506.269208	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+IsoProp+Na+H"	84.054008
"991306"	253.141426	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+2ACN+2H"	84.067652
"1588725"	507.183828	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+K+HCOOH"	84.968628
"1414753"	537.215338	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+H+CF3COOH"	115.000138
"1147203"	273.654701	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+3ACN+2H"	125.094202
"1703709"	554.241885	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+NH4+CF3COOH"	132.026685
"1647014"	559.19728	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+Na+CF3COOH"	136.98208
"1582666"	575.17122	"C17614"	"1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside"	"C19H34O10"	"422.2152"	"M+K+CF3COOH"	152.95602
"803553"	530.3104	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M"	0
"985470"	511.29201	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-H2O-H"	-19.01839
"72622"	352.532990666667	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M-3H"	-3.021828
"517650"	529.303124	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M-3H"	-3.021828
"893264"	175.762857333333	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-3H"	-3.021828
"14753"	529.303124	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M-2H"	-2.014552
"449209"	794.458324	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M-2H"	-2.014552
"827010"	264.147924	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-2H"	-2.014552
"89191"	1059.613524	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M-H"	-1.007276
"532518"	1589.923924	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M-H"	-1.007276
"903272"	529.303124	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-H"	-1.007276
"59714"	1076.640071	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M-2H+NH4"	16.019271
"501218"	1606.950471	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M-2H+NH4"	16.019271
"879146"	546.329671	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-2H+NH4"	16.019271
"45830"	1081.595466	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M-2H+Na"	20.974666
"485754"	1611.905866	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M-2H+Na"	20.974666
"860277"	551.285066	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-2H+Na"	20.974666
"1630903"	551.285066	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Na-2H"	20.974666
"103059"	547.291463	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M-H+Cl"	33.962126
"541523"	812.446663	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M-H+Cl"	33.962126
"931760"	282.136263	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-H+Cl"	33.962126
"270679"	1095.590202	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+Cl"	34.969402
"667113"	1625.900602	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+Cl"	34.969402
"1280610"	565.279802	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Cl"	34.969402
"16968"	1097.569406	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M-2H+K"	36.948606
"457382"	1627.879806	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M-2H+K"	36.948606
"834212"	567.259006	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-2H+K"	36.948606
"1559648"	567.259006	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+K-2H"	36.948606
"953000"	575.308594	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-H+HCOOH"	44.998194
"370122"	1105.619001	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+HCOOH-H"	44.998201
"354005"	1119.634651	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+Hac-H"	59.013851
"1505028"	589.324251	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Hac-H"	59.013851
"964914"	597.290551	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-H+NaCOOH"	66.980151
"120384"	565.279802	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+2Cl"	69.938804
"561041"	830.435002	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+2Cl"	69.938804
"1033120"	300.124602	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2Cl"	69.938804
"1250511"	609.229285	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Br"	78.918885
"1315149"	611.285272	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Cl+HCOOH"	80.974872
"1326086"	633.267229	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Cl+NaCOOH"	102.956829
"918238"	643.295986	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M-H+CF3COOH"	112.985586
"1291664"	679.272664	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Cl+CF3COOH"	148.962264
"1379306"	495.297724	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H-2H2O"	-35.012676
"1394617"	513.3077	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H-H2O"	-17.0027
"297585"	1061.628076	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+H"	1.007276
"691105"	1591.938476	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+H"	1.007276
"1361250"	531.317676	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H"	1.007276
"140706"	531.317676	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+2H"	2.014552
"579902"	796.472876	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+2H"	2.014552
"1050524"	266.162476	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2H"	2.014552
"218061"	354.547542666667	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+3H"	3.021828
"656523"	531.317676	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+3H"	3.021828
"1172460"	177.777409333333	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+3H"	3.021828
"434641"	1078.654623	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+NH4"	18.033823
"795636"	1608.965023	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+NH4"	18.033823
"1687594"	548.344223	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+NH4"	18.033823
"336963"	539.8309495	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+H+NH4"	19.041099
"728295"	804.9861495	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+H+NH4"	19.041099
"1487585"	274.6757495	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H+NH4"	19.041099
"408215"	1083.610018	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+Na"	22.989218
"767626"	1613.920418	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+Na"	22.989218
"1617185"	553.299618	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Na"	22.989218
"328317"	542.308647	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+H+Na"	23.996494
"720007"	807.463847	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+H+Na"	23.996494
"1472736"	277.153447	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H+Na"	23.996494
"1060516"	185.104723333333	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2H+Na"	25.00377
"1267668"	563.343886	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+CH3OH+H"	33.033486
"385152"	1099.583958	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+K"	38.963158
"749427"	1629.894358	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+K"	38.963158
"1551480"	569.273558	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+K"	38.963158
"306467"	550.295617	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+H+K"	39.970434
"702175"	815.450817	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+H+K"	39.970434
"1457453"	285.140417	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H+K"	39.970434
"240222"	1102.654626	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+ACN+H"	42.033826
"1211473"	572.344226	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+ACN+H"	42.033826
"1199001"	286.675751	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+ACN+2H"	43.041102
"194053"	1105.59196	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+2Na-H"	44.97116
"633614"	1635.90236	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+2Na-H"	44.97116
"1133841"	575.28156	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2Na-H"	44.97116
"174942"	553.299618	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+2Na"	45.978436
"614866"	818.454818	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+2Na"	45.978436
"1120194"	288.144418	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2Na"	45.978436
"1399465"	192.432037333333	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H+2Na"	46.985712
"1430731"	577.323146	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H+HCOOH"	47.012746
"227728"	558.33264	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+3H2O+2H"	56.04448
"1511415"	591.37519	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+IsoProp+H"	61.06479
"417662"	561.286588	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+Na+K"	61.952376
"778658"	826.441788	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+Na+K"	61.952376
"1676083"	296.131388	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Na+K"	61.952376
"263698"	1124.636568	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+ACN+Na"	64.015768
"1230938"	594.326168	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+ACN+Na"	64.015768
"1724198"	594.349693	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+NH4+HCOOH"	64.039293
"1192832"	199.759351333333	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+3Na"	68.967654
"1663818"	599.305088	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Na+HCOOH"	68.994688
"170680"	1137.53984	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+2K-H"	76.91904
"608053"	1667.85024	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+2K-H"	76.91904
"1098032"	607.22944	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2K-H"	76.91904
"154849"	569.273558	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"2M+2K"	77.926316
"594410"	834.428758	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"3M+2K"	77.926316
"1080016"	304.118358	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2K"	77.926316
"1103747"	609.243992	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2K+H"	78.933592
"1339773"	609.331607	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+DMSO+H"	79.021207
"1008666"	613.370776	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2ACN+H"	83.060376
"1526428"	614.364408	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+IsoProp+Na+H"	84.054008
"992144"	307.189026	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+2ACN+2H"	84.067652
"1588835"	615.279028	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+K+HCOOH"	84.968628
"1414864"	645.310538	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+H+CF3COOH"	115.000138
"1147581"	327.702301	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+3ACN+2H"	125.094202
"1704912"	662.337085	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+NH4+CF3COOH"	132.026685
"1647124"	667.29248	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+Na+CF3COOH"	136.98208
"1582776"	683.26642	"C17615"	"Kukoamine A"	"C28H42N4O6"	"530.3104"	"M+K+CF3COOH"	152.95602
"803299"	530.3104	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M"	0
"987767"	511.29201	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-H2O-H"	-19.01839
"76012"	352.532990666667	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M-3H"	-3.021828
"514481"	529.303124	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M-3H"	-3.021828
"893373"	175.762857333333	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-3H"	-3.021828
"11947"	529.303124	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M-2H"	-2.014552
"450412"	794.458324	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M-2H"	-2.014552
"827120"	264.147924	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-2H"	-2.014552
"92580"	1059.613524	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M-H"	-1.007276
"529589"	1589.923924	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M-H"	-1.007276
"905569"	529.303124	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-H"	-1.007276
"57758"	1076.640071	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M-2H+NH4"	16.019271
"495130"	1606.950471	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M-2H+NH4"	16.019271
"877186"	546.329671	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-2H+NH4"	16.019271
"45815"	1081.595466	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M-2H+Na"	20.974666
"485862"	1611.905866	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M-2H+Na"	20.974666
"857105"	551.285066	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-2H+Na"	20.974666
"1629918"	551.285066	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Na-2H"	20.974666
"104261"	547.291463	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M-H+Cl"	33.962126
"540539"	812.446663	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M-H+Cl"	33.962126
"932232"	282.136263	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-H+Cl"	33.962126
"272611"	1095.590202	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+Cl"	34.969402
"666128"	1625.900602	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+Cl"	34.969402
"1277804"	565.279802	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Cl"	34.969402
"19266"	1097.569406	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M-2H+K"	36.948606
"458463"	1627.879806	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M-2H+K"	36.948606
"834929"	567.259006	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-2H+K"	36.948606
"1559758"	567.259006	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+K-2H"	36.948606
"953110"	575.308594	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-H+HCOOH"	44.998194
"370232"	1105.619001	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+HCOOH-H"	44.998201
"355208"	1119.634651	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+Hac-H"	59.013851
"1506231"	589.324251	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Hac-H"	59.013851
"963930"	597.290551	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-H+NaCOOH"	66.980151
"113932"	565.279802	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+2Cl"	69.938804
"562243"	830.435002	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+2Cl"	69.938804
"1034323"	300.124602	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2Cl"	69.938804
"1252807"	609.229285	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Br"	78.918885
"1315989"	611.285272	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Cl+HCOOH"	80.974872
"1330568"	633.267229	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Cl+NaCOOH"	102.956829
"920534"	643.295986	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M-H+CF3COOH"	112.985586
"1291410"	679.272664	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Cl+CF3COOH"	148.962264
"1373218"	495.297724	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H-2H2O"	-35.012676
"1394363"	513.3077	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H-H2O"	-17.0027
"297695"	1061.628076	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+H"	1.007276
"691256"	1591.938476	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+H"	1.007276
"1361360"	531.317676	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H"	1.007276
"138629"	531.317676	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+2H"	2.014552
"578188"	796.472876	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+2H"	2.014552
"1048447"	266.162476	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2H"	2.014552
"217807"	354.547542666667	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+3H"	3.021828
"656634"	531.317676	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+3H"	3.021828
"1173665"	177.777409333333	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+3H"	3.021828
"435844"	1078.654623	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+NH4"	18.033823
"796839"	1608.965023	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+NH4"	18.033823
"1687701"	548.344223	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+NH4"	18.033823
"340353"	539.8309495	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+H+NH4"	19.041099
"727312"	804.9861495	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+H+NH4"	19.041099
"1486601"	274.6757495	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H+NH4"	19.041099
"397626"	1083.610018	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+Na"	22.989218
"766278"	1613.920418	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+Na"	22.989218
"1618188"	553.299618	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Na"	22.989218
"328549"	542.308647	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+H+Na"	23.996494
"720117"	807.463847	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+H+Na"	23.996494
"1475033"	277.153447	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H+Na"	23.996494
"1060626"	185.104723333333	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2H+Na"	25.00377
"1266686"	563.343886	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+CH3OH+H"	33.033486
"386356"	1099.583958	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+K"	38.963158
"748444"	1629.894358	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+K"	38.963158
"1549403"	569.273558	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+K"	38.963158
"305484"	550.295617	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+H+K"	39.970434
"704470"	815.450817	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+H+K"	39.970434
"1459384"	285.140417	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H+K"	39.970434
"243612"	1102.654626	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+ACN+H"	42.033826
"1214135"	572.344226	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+ACN+H"	42.033826
"1200204"	286.675751	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+ACN+2H"	43.041102
"193070"	1105.59196	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+2Na-H"	44.97116
"634817"	1635.90236	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+2Na-H"	44.97116
"1133951"	575.28156	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2Na-H"	44.97116
"176506"	553.299618	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+2Na"	45.978436
"616433"	818.454818	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+2Na"	45.978436
"1119211"	288.144418	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2Na"	45.978436
"1399696"	192.432037333333	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H+2Na"	46.985712
"1432664"	577.323146	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H+HCOOH"	47.012746
"227838"	558.33264	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+3H2O+2H"	56.04448
"1512618"	591.37519	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+IsoProp+H"	61.06479
"410117"	561.286588	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+Na+K"	61.952376
"775486"	826.441788	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+Na+K"	61.952376
"1670725"	296.131388	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Na+K"	61.952376
"259434"	1124.636568	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+ACN+Na"	64.015768
"1229955"	594.326168	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+ACN+Na"	64.015768
"1722121"	594.349693	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+NH4+HCOOH"	64.039293
"1190755"	199.759351333333	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+3Na"	68.967654
"1665021"	599.305088	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Na+HCOOH"	68.994688
"172130"	1137.53984	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+2K-H"	76.91904
"605976"	1667.85024	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+2K-H"	76.91904
"1098142"	607.22944	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2K-H"	76.91904
"156298"	569.273558	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"2M+2K"	77.926316
"592332"	834.428758	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"3M+2K"	77.926316
"1082313"	304.118358	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2K"	77.926316
"1103493"	609.243992	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2K+H"	78.933592
"1339882"	609.331607	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+DMSO+H"	79.021207
"1009506"	613.370776	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2ACN+H"	83.060376
"1528725"	614.364408	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+IsoProp+Na+H"	84.054008
"992254"	307.189026	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+2ACN+2H"	84.067652
"1588581"	615.279028	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+K+HCOOH"	84.968628
"1414610"	645.310538	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+H+CF3COOH"	115.000138
"1147570"	327.702301	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+3ACN+2H"	125.094202
"1701742"	662.337085	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+NH4+CF3COOH"	132.026685
"1645047"	667.29248	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+Na+CF3COOH"	136.98208
"1582886"	683.26642	"C17616"	"Kukoamine B"	"C28H42N4O6"	"530.3104"	"M+K+CF3COOH"	152.95602
"803409"	530.3104	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M"	0
"988607"	511.29201	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-H2O-H"	-19.01839
"76122"	352.532990666667	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M-3H"	-3.021828
"516777"	529.303124	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M-3H"	-3.021828
"893483"	175.762857333333	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-3H"	-3.021828
"14245"	529.303124	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M-2H"	-2.014552
"451617"	794.458324	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M-2H"	-2.014552
"827230"	264.147924	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-2H"	-2.014552
"89410"	1059.613524	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M-H"	-1.007276
"530063"	1589.923924	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M-H"	-1.007276
"901305"	529.303124	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-H"	-1.007276
"54588"	1076.640071	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M-2H+NH4"	16.019271
"494147"	1606.950471	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M-2H+NH4"	16.019271
"878024"	546.329671	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-2H+NH4"	16.019271
"43130"	1081.595466	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M-2H+Na"	20.974666
"486339"	1611.905866	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M-2H+Na"	20.974666
"856121"	551.285066	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-2H+Na"	20.974666
"1626748"	551.285066	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Na-2H"	20.974666
"101092"	547.291463	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M-H+Cl"	33.962126
"539555"	812.446663	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M-H+Cl"	33.962126
"933071"	282.136263	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-H+Cl"	33.962126
"271627"	1095.590202	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+Cl"	34.969402
"666238"	1625.900602	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+Cl"	34.969402
"1278641"	565.279802	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Cl"	34.969402
"18040"	1097.569406	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M-2H+K"	36.948606
"457238"	1627.879806	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M-2H+K"	36.948606
"833946"	567.259006	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-2H+K"	36.948606
"1556952"	567.259006	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+K-2H"	36.948606
"951032"	575.308594	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-H+HCOOH"	44.998194
"369248"	1105.619001	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+HCOOH-H"	44.998201
"355318"	1119.634651	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+Hac-H"	59.013851
"1501965"	589.324251	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Hac-H"	59.013851
"963311"	597.290551	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-H+NaCOOH"	66.980151
"114042"	565.279802	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+2Cl"	69.938804
"562353"	830.435002	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+2Cl"	69.938804
"1032246"	300.124602	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2Cl"	69.938804
"1250730"	609.229285	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Br"	78.918885
"1316462"	611.285272	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Cl+HCOOH"	80.974872
"1329584"	633.267229	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Cl+NaCOOH"	102.956829
"920280"	643.295986	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M-H+CF3COOH"	112.985586
"1291520"	679.272664	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Cl+CF3COOH"	148.962264
"1373328"	495.297724	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H-2H2O"	-35.012676
"1394837"	513.3077	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H-H2O"	-17.0027
"297077"	1061.628076	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+H"	1.007276
"690473"	1591.938476	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+H"	1.007276
"1361106"	531.317676	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H"	1.007276
"140888"	531.317676	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+2H"	2.014552
"579392"	796.472876	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+2H"	2.014552
"1051839"	266.162476	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2H"	2.014552
"219375"	354.547542666667	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+3H"	3.021828
"658203"	531.317676	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+3H"	3.021828
"1173775"	177.777409333333	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+3H"	3.021828
"435954"	1078.654623	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+NH4"	18.033823
"797315"	1608.965023	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+NH4"	18.033823
"1689998"	548.344223	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+NH4"	18.033823
"341556"	539.8309495	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+H+NH4"	19.041099
"728515"	804.9861495	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+H+NH4"	19.041099
"1486711"	274.6757495	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H+NH4"	19.041099
"398829"	1083.610018	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+Na"	22.989218
"767117"	1613.920418	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+Na"	22.989218
"1615583"	553.299618	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Na"	22.989218
"328901"	542.308647	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+H+Na"	23.996494
"719134"	807.463847	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+H+Na"	23.996494
"1474050"	277.153447	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H+Na"	23.996494
"1060734"	185.104723333333	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2H+Na"	25.00377
"1262414"	563.343886	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+CH3OH+H"	33.033486
"387559"	1099.583958	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+K"	38.963158
"745274"	1629.894358	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+K"	38.963158
"1549513"	569.273558	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+K"	38.963158
"305594"	550.295617	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+H+K"	39.970434
"702393"	815.450817	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+H+K"	39.970434
"1459493"	285.140417	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H+K"	39.970434
"244817"	1102.654626	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+ACN+H"	42.033826
"1216431"	572.344226	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+ACN+H"	42.033826
"1202500"	286.675751	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+ACN+2H"	43.041102
"194273"	1105.59196	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+2Na-H"	44.97116
"636019"	1635.90236	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+2Na-H"	44.97116
"1135154"	575.28156	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2Na-H"	44.97116
"175163"	553.299618	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+2Na"	45.978436
"614356"	818.454818	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+2Na"	45.978436
"1117136"	288.144418	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2Na"	45.978436
"1399689"	192.432037333333	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H+2Na"	46.985712
"1432045"	577.323146	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H+HCOOH"	47.012746
"230134"	558.33264	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+3H2O+2H"	56.04448
"1514914"	591.37519	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+IsoProp+H"	61.06479
"414599"	561.286588	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+Na+K"	61.952376
"778875"	826.441788	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+Na+K"	61.952376
"1673021"	296.131388	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Na+K"	61.952376
"261730"	1124.636568	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+ACN+Na"	64.015768
"1232251"	594.326168	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+ACN+Na"	64.015768
"1723324"	594.349693	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+NH4+HCOOH"	64.039293
"1193051"	199.759351333333	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+3Na"	68.967654
"1659665"	599.305088	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Na+HCOOH"	68.994688
"166525"	1137.53984	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+2K-H"	76.91904
"606086"	1667.85024	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+2K-H"	76.91904
"1098252"	607.22944	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2K-H"	76.91904
"156651"	569.273558	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"2M+2K"	77.926316
"591349"	834.428758	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"3M+2K"	77.926316
"1083274"	304.118358	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2K"	77.926316
"1101659"	609.243992	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2K+H"	78.933592
"1340356"	609.331607	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+DMSO+H"	79.021207
"1011802"	613.370776	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2ACN+H"	83.060376
"1531022"	614.364408	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+IsoProp+Na+H"	84.054008
"992364"	307.189026	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+2ACN+2H"	84.067652
"1589055"	615.279028	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+K+HCOOH"	84.968628
"1414840"	645.310538	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+H+CF3COOH"	115.000138
"1148044"	327.702301	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+3ACN+2H"	125.094202
"1701852"	662.337085	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+NH4+CF3COOH"	132.026685
"1645157"	667.29248	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+Na+CF3COOH"	136.98208
"1582996"	683.26642	"C17617"	"Kukoamine C"	"C28H42N4O6"	"530.3104"	"M+K+CF3COOH"	152.95602
"803519"	530.3104	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M"	0
"987259"	511.29201	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-H2O-H"	-19.01839
"69671"	352.532990666667	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M-3H"	-3.021828
"513605"	529.303124	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M-3H"	-3.021828
"893597"	175.762857333333	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-3H"	-3.021828
"12168"	529.303124	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M-2H"	-2.014552
"453793"	794.458324	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M-2H"	-2.014552
"831230"	264.147924	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-2H"	-2.014552
"91585"	1059.613524	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M-H"	-1.007276
"533213"	1589.923924	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M-H"	-1.007276
"907854"	529.303124	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-H"	-1.007276
"56885"	1076.640071	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M-2H+NH4"	16.019271
"494257"	1606.950471	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M-2H+NH4"	16.019271
"875339"	546.329671	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-2H+NH4"	16.019271
"41054"	1081.595466	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M-2H+Na"	20.974666
"485355"	1611.905866	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M-2H+Na"	20.974666
"856231"	551.285066	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-2H+Na"	20.974666
"1626858"	551.285066	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Na-2H"	20.974666
"102294"	547.291463	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M-H+Cl"	33.962126
"538573"	812.446663	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M-H+Cl"	33.962126
"929901"	282.136263	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-H+Cl"	33.962126
"269184"	1095.590202	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+Cl"	34.969402
"665255"	1625.900602	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+Cl"	34.969402
"1274379"	565.279802	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Cl"	34.969402
"16935"	1097.569406	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M-2H+K"	36.948606
"455928"	1627.879806	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M-2H+K"	36.948606
"833693"	567.259006	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-2H+K"	36.948606
"1559978"	567.259006	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+K-2H"	36.948606
"947862"	575.308594	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-H+HCOOH"	44.998194
"370452"	1105.619001	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+HCOOH-H"	44.998201
"355428"	1119.634651	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+Hac-H"	59.013851
"1503167"	589.324251	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Hac-H"	59.013851
"963056"	597.290551	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-H+NaCOOH"	66.980151
"110176"	565.279802	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+2Cl"	69.938804
"560274"	830.435002	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+2Cl"	69.938804
"1032356"	300.124602	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2Cl"	69.938804
"1250840"	609.229285	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Br"	78.918885
"1316571"	611.285272	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Cl+HCOOH"	80.974872
"1330788"	633.267229	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Cl+NaCOOH"	102.956829
"920754"	643.295986	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M-H+CF3COOH"	112.985586
"1289117"	679.272664	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Cl+CF3COOH"	148.962264
"1370521"	495.297724	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H-2H2O"	-35.012676
"1390936"	513.3077	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H-H2O"	-17.0027
"295362"	1061.628076	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+H"	1.007276
"690704"	1591.938476	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+H"	1.007276
"1362673"	531.317676	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H"	1.007276
"137023"	531.317676	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+2H"	2.014552
"580595"	796.472876	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+2H"	2.014552
"1052763"	266.162476	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2H"	2.014552
"218392"	354.547542666667	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+3H"	3.021828
"657219"	531.317676	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+3H"	3.021828
"1172792"	177.777409333333	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+3H"	3.021828
"436431"	1078.654623	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+NH4"	18.033823
"797060"	1608.965023	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+NH4"	18.033823
"1687921"	548.344223	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+NH4"	18.033823
"338386"	539.8309495	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+H+NH4"	19.041099
"728621"	804.9861495	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+H+NH4"	19.041099
"1485728"	274.6757495	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H+NH4"	19.041099
"401126"	1083.610018	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+Na"	22.989218
"765405"	1613.920418	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+Na"	22.989218
"1613506"	553.299618	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Na"	22.989218
"326825"	542.308647	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+H+Na"	23.996494
"719244"	807.463847	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+H+Na"	23.996494
"1469781"	277.153447	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H+Na"	23.996494
"1059751"	185.104723333333	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2H+Na"	25.00377
"1262523"	563.343886	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+CH3OH+H"	33.033486
"386568"	1099.583958	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+K"	38.963158
"745382"	1629.894358	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+K"	38.963158
"1546341"	569.273558	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+K"	38.963158
"300233"	550.295617	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+H+K"	39.970434
"706473"	815.450817	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+H+K"	39.970434
"1460536"	285.140417	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H+K"	39.970434
"244927"	1102.654626	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+ACN+H"	42.033826
"1218727"	572.344226	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+ACN+H"	42.033826
"1204796"	286.675751	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+ACN+2H"	43.041102
"193292"	1105.59196	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+2Na-H"	44.97116
"631759"	1635.90236	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+2Na-H"	44.97116
"1133078"	575.28156	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2Na-H"	44.97116
"173328"	553.299618	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+2Na"	45.978436
"614467"	818.454818	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+2Na"	45.978436
"1116516"	288.144418	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2Na"	45.978436
"1398825"	192.432037333333	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H+2Na"	46.985712
"1431183"	577.323146	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H+HCOOH"	47.012746
"226961"	558.33264	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+3H2O+2H"	56.04448
"1511742"	591.37519	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+IsoProp+H"	61.06479
"414709"	561.286588	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+Na+K"	61.952376
"777891"	826.441788	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+Na+K"	61.952376
"1675317"	296.131388	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Na+K"	61.952376
"257467"	1124.636568	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+ACN+Na"	64.015768
"1231268"	594.326168	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+ACN+Na"	64.015768
"1721246"	594.349693	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+NH4+HCOOH"	64.039293
"1193160"	199.759351333333	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+3Na"	68.967654
"1660865"	599.305088	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Na+HCOOH"	68.994688
"167727"	1137.53984	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+2K-H"	76.91904
"604006"	1667.85024	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+2K-H"	76.91904
"1098361"	607.22944	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2K-H"	76.91904
"150803"	569.273558	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"2M+2K"	77.926316
"591458"	834.428758	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"3M+2K"	77.926316
"1075971"	304.118358	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2K"	77.926316
"1101891"	609.243992	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2K+H"	78.933592
"1339009"	609.331607	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+DMSO+H"	79.021207
"1011912"	613.370776	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2ACN+H"	83.060376
"1528945"	614.364408	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+IsoProp+Na+H"	84.054008
"992474"	307.189026	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+2ACN+2H"	84.067652
"1588191"	615.279028	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+K+HCOOH"	84.968628
"1415680"	645.310538	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+H+CF3COOH"	115.000138
"1147790"	327.702301	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+3ACN+2H"	125.094202
"1701962"	662.337085	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+NH4+CF3COOH"	132.026685
"1645267"	667.29248	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+Na+CF3COOH"	136.98208
"1583106"	683.26642	"C17618"	"Kukoamine D"	"C28H42N4O6"	"530.3104"	"M+K+CF3COOH"	152.95602
"806909"	298.114	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M"	0
"988464"	279.09561	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-H2O-H"	-19.01839
"69781"	197.735390666667	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M-3H"	-3.021828
"514444"	297.106724	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M-3H"	-3.021828
"893344"	98.3640573333333	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-3H"	-3.021828
"14467"	297.106724	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M-2H"	-2.014552
"455123"	446.163724	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M-2H"	-2.014552
"830610"	148.049724	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-2H"	-2.014552
"93159"	595.220724	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M-H"	-1.007276
"532963"	893.334724	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M-H"	-1.007276
"906628"	297.106724	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-H"	-1.007276
"59179"	612.247271	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M-2H+NH4"	16.019271
"497647"	910.361271	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M-2H+NH4"	16.019271
"877758"	314.133271	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-2H+NH4"	16.019271
"43350"	617.202666	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M-2H+Na"	20.974666
"484979"	915.316666	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M-2H+Na"	20.974666
"856341"	319.088666	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-2H+Na"	20.974666
"1622594"	319.088666	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Na-2H"	20.974666
"100217"	315.095063	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M-H+Cl"	33.962126
"538683"	464.152063	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M-H+Cl"	33.962126
"928917"	166.038063	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-H+Cl"	33.962126
"268567"	631.197402	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+Cl"	34.969402
"667553"	929.311402	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+Cl"	34.969402
"1277769"	333.083402	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Cl"	34.969402
"17045"	633.176606	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M-2H+K"	36.948606
"456972"	931.290606	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M-2H+K"	36.948606
"833802"	335.062606	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-2H+K"	36.948606
"1563368"	335.062606	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+K-2H"	36.948606
"946878"	343.112194	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-H+HCOOH"	44.998194
"369468"	641.226201	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+HCOOH-H"	44.998201
"352258"	655.241851	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+Hac-H"	59.013851
"1499997"	357.127851	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Hac-H"	59.013851
"966446"	365.094151	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-H+NaCOOH"	66.980151
"111708"	333.083402	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+2Cl"	69.938804
"553823"	482.140402	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+2Cl"	69.938804
"1030279"	184.026402	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2Cl"	69.938804
"1248763"	377.032885	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Br"	78.918885
"1316680"	379.088872	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Cl+HCOOH"	80.974872
"1328709"	401.070829	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Cl+NaCOOH"	102.956829
"922321"	411.099586	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M-H+CF3COOH"	112.985586
"1291010"	447.076264	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Cl+CF3COOH"	148.962264
"1368076"	263.101324	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H-2H2O"	-35.012676
"1389951"	281.1113	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H-H2O"	-17.0027
"292920"	597.235276	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+H"	1.007276
"690449"	895.349276	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+H"	1.007276
"1362783"	299.121276	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H"	1.007276
"138592"	299.121276	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+2H"	2.014552
"578518"	448.178276	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+2H"	2.014552
"1052182"	150.064276	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2H"	2.014552
"218504"	199.749942666667	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+3H"	3.021828
"658423"	299.121276	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+3H"	3.021828
"1176181"	100.378609333333	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+3H"	3.021828
"438361"	614.261823	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+NH4"	18.033823
"798993"	912.375823	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+NH4"	18.033823
"1693500"	316.147823	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+NH4"	18.033823
"341777"	307.6345495	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+H+NH4"	19.041099
"730919"	456.6915495	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+H+NH4"	19.041099
"1485838"	158.5775495	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H+NH4"	19.041099
"402330"	619.217218	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+Na"	22.989218
"768798"	917.331218	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+Na"	22.989218
"1611430"	321.103218	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Na"	22.989218
"326936"	310.112247	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+H+Na"	23.996494
"721178"	459.169247	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+H+Na"	23.996494
"1470985"	161.055247	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H+Na"	23.996494
"1063142"	107.705923333333	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2H+Na"	25.00377
"1262634"	331.147486	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+CH3OH+H"	33.033486
"384493"	635.191158	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+K"	38.963158
"743297"	933.305158	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+K"	38.963158
"1546450"	337.077158	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+K"	38.963158
"300344"	318.099217	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+H+K"	39.970434
"703707"	467.156217	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+H+K"	39.970434
"1457527"	169.042217	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H+K"	39.970434
"241754"	638.261826	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+ACN+H"	42.033826
"1217743"	340.147826	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+ACN+H"	42.033826
"1202719"	170.577551	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+ACN+2H"	43.041102
"193402"	641.19916	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+2Na-H"	44.97116
"630410"	939.31316	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+2Na-H"	44.97116
"1133188"	343.08516	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2Na-H"	44.97116
"175747"	321.103218	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+2Na"	45.978436
"614940"	470.160218	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+2Na"	45.978436
"1118448"	172.046218	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2Na"	45.978436
"1399058"	115.033237333333	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H+2Na"	46.985712
"1431901"	345.126746	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H+HCOOH"	47.012746
"227071"	326.13624	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+3H2O+2H"	56.04448
"1511852"	359.17879	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+IsoProp+H"	61.06479
"414819"	329.090188	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+Na+K"	61.952376
"778001"	478.147188	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+Na+K"	61.952376
"1676519"	180.033188	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Na+K"	61.952376
"257577"	660.243768	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+ACN+Na"	64.015768
"1232471"	362.129768	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+ACN+Na"	64.015768
"1723543"	362.153293	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+NH4+HCOOH"	64.039293
"1192175"	122.360551333333	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+3Na"	68.967654
"1659881"	367.108688	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Na+HCOOH"	68.994688
"170996"	673.14704	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+2K-H"	76.91904
"608490"	971.26104	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+2K-H"	76.91904
"1096284"	375.03304	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2K-H"	76.91904
"152006"	337.077158	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"2M+2K"	77.926316
"591568"	486.134158	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"3M+2K"	77.926316
"1076081"	188.020158	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2K"	77.926316
"1103825"	377.047592	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2K+H"	78.933592
"1338026"	377.135207	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+DMSO+H"	79.021207
"1008742"	381.174376	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2ACN+H"	83.060376
"1530149"	382.168008	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+IsoProp+Na+H"	84.054008
"992586"	191.090826	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+2ACN+2H"	84.067652
"1591099"	383.082628	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+K+HCOOH"	84.968628
"1414209"	413.114138	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+H+CF3COOH"	115.000138
"1147776"	211.604101	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+3ACN+2H"	125.094202
"1699885"	430.140685	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+NH4+CF3COOH"	132.026685
"1642097"	435.09608	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+Na+CF3COOH"	136.98208
"1583216"	451.07002	"C17619"	"10-(beta-Dimethylaminopropionyl)phenothiazine"	"C17H18N2OS"	"298.114"	"M+K+CF3COOH"	152.95602
"812487"	186.1256	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M"	0
"987114"	167.10721	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"70987"	123.076457333333	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"516380"	185.118324	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"892722"	61.0345906666667	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"14947"	185.118324	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"454500"	278.181124	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"829750"	92.055524	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"93760"	371.243924	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"533524"	557.369524	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"909288"	185.118324	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"62415"	388.270471	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"499943"	574.396071	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"878721"	202.144871	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"45773"	393.225866	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"486433"	579.351466	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"863136"	207.100266	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1628173"	207.100266	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"106888"	203.106663	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"542074"	296.169463	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"933402"	110.043863	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"271960"	407.220602	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"670943"	593.346202	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1277880"	221.095002	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"21533"	409.199806	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"460000"	595.325406	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"838894"	223.074206	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1563478"	223.074206	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"951362"	231.123794	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"372858"	417.249401	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"350181"	431.265051	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1502294"	245.139451	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"962182"	253.105751	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"114737"	221.095002	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"553933"	314.157802	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1033308"	128.032202	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1253980"	265.044485	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1314608"	267.100472	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1329918"	289.082429	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"920973"	299.111186	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1290027"	335.087864	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1369646"	151.112924	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1390063"	169.1229	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"295949"	373.258476	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"690438"	559.384076	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1359613"	187.132876	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"136880"	187.132876	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"574250"	280.195676	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1052497"	94.070076	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"219345"	125.091009333333	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"658172"	187.132876	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1174104"	63.0491426666667	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"438474"	390.285023	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"798375"	576.410623	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1693610"	204.159423	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"339702"	195.6461495	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"732122"	288.7089495	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1485942"	102.5833495	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"403529"	395.240418	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"765619"	581.366018	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1616885"	209.114818	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"327772"	198.123847	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"717640"	291.186647	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1467812"	105.061047	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1065439"	70.3764566666667	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1267119"	219.159086	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"386789"	411.214358	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"744502"	597.339958	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1545467"	225.088758	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"300088"	206.110817	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"701631"	299.173617	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1456543"	113.048017	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"240772"	414.285026	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1214572"	228.159426	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1199549"	114.583351	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"192418"	417.22236	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"635256"	603.34796	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1137669"	231.09676	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"179865"	209.114818	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"616871"	302.177618	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1119651"	116.052018	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1401352"	77.7037706666667	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1432738"	233.138346	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"224992"	214.14784	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1513055"	247.19039	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"416022"	217.101788	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"773737"	310.164588	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1675535"	124.038988	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"258778"	436.266968	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1238778"	250.141368	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1722559"	250.164893	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1191193"	85.0310846666667	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1658898"	255.120288	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"171228"	449.17024	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"607508"	635.29584	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1093115"	263.04464	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"153210"	225.088758	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"589491"	318.151558	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1074005"	132.025958	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1111590"	265.059192	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1344697"	265.146807	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1014319"	269.185976	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1532446"	270.179608	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"991967"	135.096626	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1592303"	271.094228	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1415050"	301.125738	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1148252"	155.609901	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1698902"	318.152285	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1645488"	323.10768	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1583326"	339.08162	"C17620"	"Epomediol;26-Dihydroxycineol"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"803849"	170.1307	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M"	0
"987224"	151.11231	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"75105"	112.413190666667	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"516123"	169.123424	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"892831"	55.7029573333333	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"15415"	169.123424	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"453151"	254.188774	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"828767"	84.058074	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"92039"	339.254124	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"533423"	509.384824	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"909398"	169.123424	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"62524"	356.280671	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"498960"	526.411371	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"878221"	186.149971	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"44300"	361.236066	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"486944"	531.366766	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"860936"	191.105366	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1622816"	191.105366	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"102625"	187.111763	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"542184"	272.177113	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"930232"	102.046413	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"269154"	375.230802	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"673240"	545.361502	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1277990"	205.100102	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"19455"	377.210006	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"461202"	547.340706	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"841191"	207.079306	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1559213"	207.079306	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"950379"	215.128894	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"371874"	385.259601	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"350291"	399.275251	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1501310"	229.144551	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"964477"	237.110851	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"114847"	205.100102	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"554043"	290.165452	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1030502"	120.034752	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1252266"	249.049585	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1315444"	251.105572	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1328929"	273.087529	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"921083"	283.116286	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1295603"	319.092964	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1371579"	135.118024	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1385065"	153.128	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"296058"	341.268676	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"687750"	511.399376	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1360453"	171.137976	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"132978"	171.137976	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"571079"	256.203326	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1050089"	86.072626	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"216533"	114.427742666667	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"658275"	171.137976	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1170934"	57.7175093333333	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"436393"	358.295223	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"798851"	528.425923	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1694449"	188.164523	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"340905"	179.6512495	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"730046"	264.7165995	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1484959"	94.5858995	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"401453"	363.250618	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"765729"	533.381318	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1616024"	193.119918	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"327152"	182.128947	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"718115"	267.194297	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1473391"	97.063597	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1064455"	65.0448233333333	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1268323"	203.164186	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"389085"	379.224558	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"748989"	549.355258	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1543387"	209.093858	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"299834"	190.115917	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"696273"	275.181267	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1447908"	105.050567	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"239788"	382.295226	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1211645"	212.164526	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1198566"	106.585901	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"194712"	385.23256	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"631358"	555.36326	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1135593"	215.10186	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"175964"	193.119918	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"616618"	278.185268	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1117937"	108.054568	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1401099"	72.3721373333333	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1431392"	217.143446	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"226196"	198.15294	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1512072"	231.19549	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"417226"	201.106888	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"778221"	286.172238	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1674918"	116.041538	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"255608"	404.277168	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1238888"	234.146468	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1721576"	234.169993	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1193371"	79.6994513333333	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1657915"	239.125388	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"170974"	417.18044	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"608712"	587.31114	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1093225"	247.04974	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"153320"	209.093858	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"590694"	294.159208	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1074115"	124.028508	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1111700"	249.064292	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1344807"	249.151907	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1012243"	253.191076	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1531463"	254.184708	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"992076"	127.099176	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1590227"	255.099328	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1416983"	285.130838	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1148728"	147.612451	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1702292"	302.157385	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1648514"	307.11278	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1583436"	323.08672	"C17621"	"(6E)-8-Hydroxygeraniol;10-Hydroxygeraniol;8-Hydroxygeraniol"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"803959"	166.0994	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M"	0
"988428"	147.08101	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"75579"	109.725657333333	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"516960"	165.092124	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"894035"	54.3591906666667	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"15365"	165.092124	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"452898"	248.141824	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"830701"	82.042424	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"92151"	331.191524	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"533170"	497.290924	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"909877"	165.092124	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"62430"	348.218071	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"500165"	514.317471	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"878454"	182.118671	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"42224"	353.173466	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"481057"	519.272866	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"858859"	187.074066	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1626206"	187.074066	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"100548"	183.080463	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"537921"	266.130163	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"929613"	100.030763	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"277650"	367.168202	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"664605"	533.267602	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1281384"	201.068802	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"20658"	369.147406	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"465689"	535.246806	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"840210"	203.048006	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1563698"	203.048006	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"953770"	211.097594	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"373078"	377.197001	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"356961"	391.212651	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1494861"	225.113251	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"962400"	233.079551	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"118972"	201.068802	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"558530"	284.118502	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1032797"	118.019102	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1253105"	245.018285	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1314823"	247.074272	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1329040"	269.056229	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"919004"	279.084986	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1293528"	315.061664	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1371690"	131.086724	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1387000"	149.0967	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"291064"	333.206076	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"684215"	499.305476	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1360200"	167.106676	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"137830"	167.106676	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"578849"	250.156376	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1051658"	84.056976	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"218465"	111.740209333333	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"657664"	167.106676	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1175422"	56.3737426666667	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"436503"	350.232623	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"797500"	516.332023	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1689456"	184.133223	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"338828"	175.6199495	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"726877"	258.6696495	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1485071"	92.5702495	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"403750"	355.188018	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"766933"	521.287418	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1613946"	189.088618	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"325077"	178.097647	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"717496"	261.147347	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1473502"	95.047947	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1063474"	63.7010566666667	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1262965"	199.132886	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"383731"	371.161958	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"745822"	537.261358	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1541311"	205.062558	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"307239"	186.084617	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"697479"	269.134317	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1451299"	103.034917	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"240992"	374.232626	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1215887"	208.133226	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1203052"	104.570251	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"189844"	377.16996	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"630739"	543.26936	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1135705"	211.07056	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"174739"	189.088618	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"616365"	272.138318	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1120964"	106.038918	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1401209"	71.0283706666667	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1431502"	213.112146	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"232870"	194.12164	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1516558"	227.16419	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"416245"	197.075588	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"780521"	280.125288	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1674665"	114.025888	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"253532"	396.214568	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1233896"	230.115168	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1724604"	230.138693	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1193852"	78.3556846666667	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1660215"	235.094088	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"169264"	409.11784	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"608824"	575.21724	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1093335"	243.01844	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"153431"	205.062558	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"592992"	288.112258	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1075318"	122.012858	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1111810"	245.032992	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1347105"	245.120607	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1013446"	249.159776	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1530479"	250.153408	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"994009"	125.083526	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1591430"	251.068028	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1417093"	281.099538	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1148838"	145.596801	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1708963"	298.126085	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1648624"	303.08148	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1586826"	319.05542	"C17622"	"(6E)-8-Oxogeranial;10-Oxogeranial;8-Oxogeranial"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"810631"	152.1201	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M"	0
"987446"	133.10171	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"75686"	100.406124	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"517924"	151.112824	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"894875"	49.699424	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"14543"	151.112824	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"454102"	227.172874	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"831419"	75.052774	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"93642"	303.232924	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"533401"	455.353024	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"910841"	151.112824	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"62175"	320.259471	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"502387"	472.379571	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"879464"	168.139371	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"43791"	325.214866	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"481167"	477.334966	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"855690"	173.094766	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1626317"	173.094766	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"98472"	169.101163	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"535845"	245.161213	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"928630"	93.041113	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"268038"	339.209602	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"661069"	491.329702	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1274930"	187.089502	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"18581"	341.188806	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"465799"	493.308906	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"837040"	189.068706	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1563808"	189.068706	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"953880"	197.118294	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"369908"	349.238401	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"357071"	363.254051	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1499346"	211.133951	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"961052"	219.100251	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"120175"	187.089502	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"563014"	263.149552	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1033639"	111.029452	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1254310"	231.038985	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1318580"	233.094972	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1330976"	255.076929	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"924221"	265.105686	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1299105"	301.082364	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1371800"	117.107424	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1387110"	135.1174	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"287893"	305.247476	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"688336"	457.367576	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1362862"	153.127376	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"137940"	153.127376	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"580053"	229.187426	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1049584"	77.067326	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"216392"	102.420676	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"657653"	153.127376	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1175532"	51.713976	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"435885"	322.274023	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"797975"	474.394123	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1688474"	170.153923	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"340031"	161.6406495	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"728080"	237.7006995	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1485181"	85.5805995	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"403496"	327.229418	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"765951"	479.349518	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1609682"	175.109318	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"320812"	164.118347	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"715785"	240.178397	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1470332"	88.058297	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1062493"	59.04129	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1261980"	185.153586	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"383841"	343.203358	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"744837"	495.323458	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1541421"	191.083258	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"306255"	172.105317	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"698682"	248.165367	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1451407"	96.045267	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"238915"	346.274026	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1218184"	194.153926	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1202066"	97.580601	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"190564"	349.21136	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"630365"	501.33146	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1134723"	197.09126	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"174123"	175.109318	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"615384"	251.169368	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1117918"	99.049268	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1399373"	66.368604	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1433434"	199.132846	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"234078"	180.14234	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1520681"	213.18489	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"417449"	183.096288	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"781361"	259.156338	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1676598"	107.036238	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"256924"	368.255968	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1234006"	216.135868	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1726902"	216.159393	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1193230"	73.695918	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1660325"	221.114788	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"169374"	381.15924	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"610757"	533.27934	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1093445"	229.03914	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"153541"	191.083258	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"593102"	267.143308	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1076522"	115.023208	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1108640"	231.053692	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1345027"	231.141307	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1015744"	235.180476	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1530589"	236.174108	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"993756"	118.093876	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1591541"	237.088728	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1417203"	267.120238	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1149677"	138.607151	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1699232"	284.146785	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1642537"	289.10218	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1586936"	305.07612	"C17623"	"(-)-Pulegone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"807459"	866.2058	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M"	0
"984274"	847.18741	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-H2O-H"	-19.01839
"75796"	576.463257333333	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M-3H"	-3.021828
"515357"	865.198524	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M-3H"	-3.021828
"892068"	287.727990666667	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-3H"	-3.021828
"12829"	865.198524	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M-2H"	-2.014552
"454091"	1298.301424	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M-2H"	-2.014552
"831164"	432.095624	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-2H"	-2.014552
"90552"	1731.404324	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M-H"	-1.007276
"532783"	2597.610124	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M-H"	-1.007276
"908276"	865.198524	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-H"	-1.007276
"61068"	1748.430871	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M-2H+NH4"	16.019271
"501724"	2614.636671	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M-2H+NH4"	16.019271
"878188"	882.225071	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-2H+NH4"	16.019271
"40985"	1753.386266	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M-2H+Na"	20.974666
"482732"	2619.592066	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M-2H+Na"	20.974666
"850333"	887.180466	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-2H+Na"	20.974666
"1620959"	887.180466	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Na-2H"	20.974666
"96392"	883.186863	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M-H+Cl"	33.962126
"534775"	1316.289763	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M-H+Cl"	33.962126
"927087"	450.083963	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-H+Cl"	33.962126
"268138"	1767.381002	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+Cl"	34.969402
"660933"	2633.586802	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+Cl"	34.969402
"1273005"	901.175202	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Cl"	34.969402
"17598"	1769.360206	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M-2H+K"	36.948606
"462629"	2635.566006	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M-2H+K"	36.948606
"837150"	903.154406	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-2H+K"	36.948606
"1560638"	903.154406	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+K-2H"	36.948606
"951803"	911.203994	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-H+HCOOH"	44.998194
"370018"	1777.409801	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+HCOOH-H"	44.998201
"357181"	1791.425451	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+Hac-H"	59.013851
"1498363"	925.219651	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Hac-H"	59.013851
"961890"	933.185951	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-H+NaCOOH"	66.980151
"120285"	901.175202	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+2Cl"	69.938804
"556564"	1334.278102	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+2Cl"	69.938804
"1028643"	468.072302	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2Cl"	69.938804
"1251502"	945.124685	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Br"	78.918885
"1315048"	947.180672	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Cl+HCOOH"	80.974872
"1332176"	969.162629	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Cl+NaCOOH"	102.956829
"925788"	979.191386	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M-H+CF3COOH"	112.985586
"1292654"	1015.168064	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Cl+CF3COOH"	148.962264
"1370815"	831.193124	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H-2H2O"	-35.012676
"1387220"	849.2031	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H-H2O"	-17.0027
"289096"	1733.418876	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+H"	1.007276
"688446"	2599.624676	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+H"	1.007276
"1362972"	867.213076	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H"	1.007276
"138050"	867.213076	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+2H"	2.014552
"579070"	1300.315976	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+2H"	2.014552
"1049694"	434.110176	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2H"	2.014552
"216137"	578.477809333333	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+3H"	3.021828
"657881"	867.213076	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+3H"	3.021828
"1176007"	289.742542666667	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+3H"	3.021828
"435995"	1750.445423	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+NH4"	18.033823
"798085"	2616.651223	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+NH4"	18.033823
"1691864"	884.239623	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+NH4"	18.033823
"339048"	875.7263495	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+H+NH4"	19.041099
"728190"	1308.8292495	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+H+NH4"	19.041099
"1485291"	442.6234495	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H+NH4"	19.041099
"403606"	1755.400818	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+Na"	22.989218
"767518"	2621.606618	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+Na"	22.989218
"1609792"	889.195018	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Na"	22.989218
"320922"	878.204047	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+H+Na"	23.996494
"713343"	1311.306947	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+H+Na"	23.996494
"1472628"	445.101147	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H+Na"	23.996494
"1057130"	297.069856666667	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2H+Na"	25.00377
"1257591"	899.239286	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+CH3OH+H"	33.033486
"379574"	1771.374758	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+K"	38.963158
"742029"	2637.580558	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+K"	38.963158
"1540084"	905.168958	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+K"	38.963158
"303085"	886.191017	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+H+K"	39.970434
"696601"	1319.293917	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+H+K"	39.970434
"1452609"	453.088117	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H+K"	39.970434
"236836"	1774.445426	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+ACN+H"	42.033826
"1210758"	908.239626	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+ACN+H"	42.033826
"1194722"	454.623451	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+ACN+2H"	43.041102
"189051"	1777.38276	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+2Na-H"	44.97116
"628724"	2643.58856	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+2Na-H"	44.97116
"1131706"	911.17696	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2Na-H"	44.97116
"173987"	889.195018	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+2Na"	45.978436
"613012"	1322.297918	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+2Na"	45.978436
"1116121"	456.092118	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2Na"	45.978436
"1398994"	304.397170666667	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H+2Na"	46.985712
"1430626"	913.218546	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H+HCOOH"	47.012746
"233094"	894.22804	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+3H2O+2H"	56.04448
"1521155"	927.27059	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+IsoProp+H"	61.06479
"420839"	897.181988	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+Na+K"	61.952376
"782566"	1330.284888	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+Na+K"	61.952376
"1676708"	464.079088	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Na+K"	61.952376
"257034"	1796.427368	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+ACN+Na"	64.015768
"1230836"	930.221568	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+ACN+Na"	64.015768
"1726162"	930.245093	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+NH4+HCOOH"	64.039293
"1192974"	311.724484666667	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+3Na"	68.967654
"1660435"	935.200488	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Na+HCOOH"	68.994688
"169484"	1809.33064	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+2K-H"	76.91904
"611109"	2675.53644	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+2K-H"	76.91904
"1096834"	943.12484	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2K-H"	76.91904
"153651"	905.168958	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"2M+2K"	77.926316
"593212"	1338.271858	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"3M+2K"	77.926316
"1074445"	472.066058	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2K"	77.926316
"1108750"	945.139392	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2K+H"	78.933592
"1341857"	945.227007	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+DMSO+H"	79.021207
"1015854"	949.266176	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2ACN+H"	83.060376
"1529606"	950.259808	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+IsoProp+Na+H"	84.054008
"992042"	475.136726	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+2ACN+2H"	84.067652
"1591651"	951.174428	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+K+HCOOH"	84.968628
"1415126"	981.205938	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+H+CF3COOH"	115.000138
"1148693"	495.650001	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+3ACN+2H"	125.094202
"1699342"	998.232485	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+NH4+CF3COOH"	132.026685
"1642647"	1003.18788	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+Na+CF3COOH"	136.98208
"1583766"	1019.16182	"C17624"	"Cinnamtannin A1;Proanthocyanidin C1;Procyanidin C1"	"C45H38O18"	"866.2058"	"M+K+CF3COOH"	152.95602
"804653"	1154.2692	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M"	0
"985477"	1135.25081	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-H2O-H"	-19.01839
"74813"	768.505524	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M-3H"	-3.021828
"517534"	1153.261924	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M-3H"	-3.021828
"893271"	383.749124	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-3H"	-3.021828
"12939"	1153.261924	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M-2H"	-2.014552
"454564"	1730.396524	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M-2H"	-2.014552
"829207"	576.127324	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-2H"	-2.014552
"91387"	2307.531124	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M-H"	-1.007276
"532040"	3461.800324	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M-H"	-1.007276
"910091"	1153.261924	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-H"	-1.007276
"62599"	2324.557671	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M-2H+NH4"	16.019271
"500375"	3478.826871	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M-2H+NH4"	16.019271
"878420"	1170.288471	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-2H+NH4"	16.019271
"43282"	2329.513066	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M-2H+Na"	20.974666
"485029"	3483.782266	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M-2H+Na"	20.974666
"857000"	1175.243866	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-2H+Na"	20.974666
"1622162"	1175.243866	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Na-2H"	20.974666
"98690"	1171.250263	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M-H+Cl"	33.962126
"536182"	1748.384863	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M-H+Cl"	33.962126
"928236"	594.115663	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-H+Cl"	33.962126
"268613"	2343.507802	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+Cl"	34.969402
"660919"	3497.777002	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+Cl"	34.969402
"1273684"	1189.238602	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Cl"	34.969402
"17708"	2345.487006	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M-2H+K"	36.948606
"462739"	3499.756206	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M-2H+K"	36.948606
"837260"	1191.217806	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-2H+K"	36.948606
"1560748"	1191.217806	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+K-2H"	36.948606
"954100"	1199.267394	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-H+HCOOH"	44.998194
"370128"	2353.536601	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+HCOOH-H"	44.998201
"357291"	2367.552251	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+Hac-H"	59.013851
"1496650"	1213.283051	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Hac-H"	59.013851
"960179"	1221.249351	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-H+NaCOOH"	66.980151
"116018"	1189.238602	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+2Cl"	69.938804
"559953"	1766.373202	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+2Cl"	69.938804
"1029115"	612.104002	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2Cl"	69.938804
"1251612"	1233.188085	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Br"	78.918885
"1318435"	1235.244072	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Cl+HCOOH"	80.974872
"1332650"	1257.226029	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Cl+NaCOOH"	102.956829
"925899"	1267.254786	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M-H+CF3COOH"	112.985586
"1292764"	1303.231464	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Cl+CF3COOH"	148.962264
"1373112"	1119.256524	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H-2H2O"	-35.012676
"1386601"	1137.2665	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H-H2O"	-17.0027
"289205"	2309.545676	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+H"	1.007276
"682721"	3463.814876	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+H"	1.007276
"1362350"	1155.276476	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H"	1.007276
"135970"	1155.276476	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+2H"	2.014552
"578453"	1732.411076	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+2H"	2.014552
"1049439"	578.141876	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2H"	2.014552
"217704"	770.520076	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+3H"	3.021828
"658961"	1155.276476	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+3H"	3.021828
"1176843"	385.763676	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+3H"	3.021828
"435740"	2326.572223	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+NH4"	18.033823
"798195"	3480.841423	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+NH4"	18.033823
"1691974"	1172.303023	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+NH4"	18.033823
"340251"	1163.7897495	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+H+NH4"	19.041099
"731579"	1740.9243495	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+H+NH4"	19.041099
"1484308"	586.6551495	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H+NH4"	19.041099
"405174"	2331.527618	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+Na"	22.989218
"767628"	3485.796818	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+Na"	22.989218
"1609902"	1177.258418	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Na"	22.989218
"326499"	1166.267447	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+H+Na"	23.996494
"715639"	1743.402047	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+H+Na"	23.996494
"1470552"	589.132847	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H+Na"	23.996494
"1059426"	393.09099	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2H+Na"	25.00377
"1259648"	1187.302686	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+CH3OH+H"	33.033486
"378955"	2347.501558	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+K"	38.963158
"742869"	3501.770758	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+K"	38.963158
"1540378"	1193.232358	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+K"	38.963158
"301008"	1174.254417	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+H+K"	39.970434
"697804"	1751.389017	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+H+K"	39.970434
"1453812"	597.119817	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H+K"	39.970434
"240227"	2350.572226	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+ACN+H"	42.033826
"1211841"	1196.303026	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+ACN+H"	42.033826
"1194630"	598.655151	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+ACN+2H"	43.041102
"189203"	2353.50956	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+2Na-H"	44.97116
"628714"	3507.77876	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+2Na-H"	44.97116
"1131660"	1199.24036	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2Na-H"	44.97116
"174948"	1177.258418	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+2Na"	45.978436
"612935"	1754.393018	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+2Na"	45.978436
"1116191"	600.123818	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2Na"	45.978436
"1398468"	400.418304	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H+2Na"	46.985712
"1431465"	1201.281946	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H+HCOOH"	47.012746
"233570"	1182.29144	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+3H2O+2H"	56.04448
"1520172"	1215.33399	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+IsoProp+H"	61.06479
"420950"	1185.245388	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+Na+K"	61.952376
"783040"	1762.379988	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+Na+K"	61.952376
"1676818"	608.110788	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Na+K"	61.952376
"260424"	2372.554168	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+ACN+Na"	64.015768
"1236049"	1218.284968	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+ACN+Na"	64.015768
"1727613"	1218.308493	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+NH4+HCOOH"	64.039293
"1193453"	407.745618	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+3Na"	68.967654
"1665042"	1223.263888	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Na+HCOOH"	68.994688
"170566"	2385.45744	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+2K-H"	76.91904
"611340"	3539.72664	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+2K-H"	76.91904
"1096944"	1231.18824	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2K-H"	76.91904
"155342"	1193.232358	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"2M+2K"	77.926316
"595996"	1770.366958	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"3M+2K"	77.926316
"1074555"	616.097758	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2K"	77.926316
"1108860"	1233.202792	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2K+H"	78.933592
"1338687"	1233.290407	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+DMSO+H"	79.021207
"1009404"	1237.329576	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2ACN+H"	83.060376
"1529716"	1238.323208	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+IsoProp+Na+H"	84.054008
"991423"	619.168426	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+2ACN+2H"	84.067652
"1593948"	1239.237828	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+K+HCOOH"	84.968628
"1415236"	1269.269338	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+H+CF3COOH"	115.000138
"1147832"	639.681701	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+3ACN+2H"	125.094202
"1699452"	1286.295885	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+NH4+CF3COOH"	132.026685
"1642757"	1291.25128	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+Na+CF3COOH"	136.98208
"1583876"	1307.22522	"C17625"	"Cinnamtannin A2"	"C60H50O24"	"1154.2692"	"M+K+CF3COOH"	152.95602
"810961"	1442.3326	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M"	0
"989404"	1423.31421	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-H2O-H"	-19.01839
"78173"	960.547790666667	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M-3H"	-3.021828
"517525"	1441.325324	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M-3H"	-3.021828
"893261"	479.770257333333	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-3H"	-3.021828
"13049"	1441.325324	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M-2H"	-2.014552
"455164"	2162.491624	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M-2H"	-2.014552
"830899"	720.159024	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-2H"	-2.014552
"91498"	2883.657924	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M-H"	-1.007276
"532640"	4325.990524	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M-H"	-1.007276
"909712"	1441.325324	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-H"	-1.007276
"62724"	2900.684471	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M-2H+NH4"	16.019271
"502313"	4343.017071	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M-2H+NH4"	16.019271
"879383"	1458.351871	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-2H+NH4"	16.019271
"44486"	2905.639866	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M-2H+Na"	20.974666
"480403"	4347.972466	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M-2H+Na"	20.974666
"851646"	1463.307266	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-2H+Na"	20.974666
"1622272"	1463.307266	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Na-2H"	20.974666
"102080"	1459.313663	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M-H+Cl"	33.962126
"535928"	2180.479963	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M-H+Cl"	33.962126
"928592"	738.147363	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-H+Cl"	33.962126
"269335"	2919.634602	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+Cl"	34.969402
"661027"	4361.967202	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+Cl"	34.969402
"1274887"	1477.302002	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Cl"	34.969402
"17808"	2921.613806	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M-2H+K"	36.948606
"470506"	4363.946406	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M-2H+K"	36.948606
"843932"	1479.281206	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-2H+K"	36.948606
"1571066"	1479.281206	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+K-2H"	36.948606
"948742"	1487.330794	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-H+HCOOH"	44.998194
"373518"	2929.663401	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+HCOOH-H"	44.998201
"355214"	2943.679051	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+Hac-H"	59.013851
"1500771"	1501.346451	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Hac-H"	59.013851
"965029"	1509.312751	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-H+NaCOOH"	66.980151
"120503"	1477.302002	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+2Cl"	69.938804
"561889"	2198.468302	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+2Cl"	69.938804
"1026312"	756.135702	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2Cl"	69.938804
"1252816"	1521.251485	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Br"	78.918885
"1315266"	1523.307472	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Cl+HCOOH"	80.974872
"1331670"	1545.289429	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Cl+NaCOOH"	102.956829
"924552"	1555.318186	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M-H+CF3COOH"	112.985586
"1292506"	1591.294864	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Cl+CF3COOH"	148.962264
"1369575"	1407.319924	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H-2H2O"	-35.012676
"1386347"	1425.3299	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H-H2O"	-17.0027
"284576"	2885.672476	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+H"	1.007276
"679551"	4328.005076	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+H"	1.007276
"1356264"	1443.339876	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H"	1.007276
"137173"	1443.339876	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+2H"	2.014552
"579290"	2164.506176	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+2H"	2.014552
"1051731"	722.173576	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2H"	2.014552
"217816"	962.562342666667	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+3H"	3.021828
"656640"	1443.339876	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+3H"	3.021828
"1175866"	481.784809333333	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+3H"	3.021828
"437674"	2902.699023	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+NH4"	18.033823
"800494"	4345.031623	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+NH4"	18.033823
"1692084"	1460.366423	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+NH4"	18.033823
"342548"	1451.8531495	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+H+NH4"	19.041099
"730597"	2173.0194495	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+H+NH4"	19.041099
"1486605"	730.6868495	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H+NH4"	19.041099
"403097"	2907.654418	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+Na"	22.989218
"769076"	4349.987018	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+Na"	22.989218
"1610011"	1465.321818	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Na"	22.989218
"326609"	1454.330847	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+H+Na"	23.996494
"719028"	2175.497147	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+H+Na"	23.996494
"1470663"	733.164547	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H+Na"	23.996494
"1059536"	489.112123333333	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2H+Na"	25.00377
"1260124"	1475.366086	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+CH3OH+H"	33.033486
"379796"	2923.628358	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+K"	38.963158
"742979"	4365.960958	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+K"	38.963158
"1540291"	1481.295758	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+K"	38.963158
"302211"	1462.317817	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+H+K"	39.970434
"697914"	2183.484117	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+H+K"	39.970434
"1452829"	741.151517	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H+K"	39.970434
"238151"	2926.699026	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+ACN+H"	42.033826
"1215231"	1484.366426	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+ACN+H"	42.033826
"1194739"	742.686851	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+ACN+2H"	43.041102
"188940"	2929.63636	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+2Na-H"	44.97116
"629721"	4371.96896	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+2Na-H"	44.97116
"1133102"	1487.30376	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2Na-H"	44.97116
"175058"	1465.321818	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+2Na"	45.978436
"613762"	2186.488118	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+2Na"	45.978436
"1116659"	744.155518	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2Na"	45.978436
"1399213"	496.439437333333	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H+2Na"	46.985712
"1430721"	1489.345346	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H+HCOOH"	47.012746
"231855"	1470.35484	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+3H2O+2H"	56.04448
"1519553"	1503.39739	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+IsoProp+H"	61.06479
"419968"	1473.308788	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+Na+K"	61.952376
"780598"	2194.475088	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+Na+K"	61.952376
"1677292"	752.142488	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Na+K"	61.952376
"260534"	2948.680968	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+ACN+Na"	64.015768
"1234336"	1506.348368	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+ACN+Na"	64.015768
"1726138"	1506.371893	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+NH4+HCOOH"	64.039293
"1192829"	503.766751333333	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+3Na"	68.967654
"1664788"	1511.327288	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Na+HCOOH"	68.994688
"164238"	2961.58424	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+2K-H"	76.91904
"610965"	4403.91684	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+2K-H"	76.91904
"1097907"	1519.25164	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2K-H"	76.91904
"152778"	1481.295758	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"2M+2K"	77.926316
"591245"	2202.462058	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"3M+2K"	77.926316
"1076852"	760.129458	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2K"	77.926316
"1103503"	1521.266192	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2K+H"	78.933592
"1342077"	1521.353807	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+DMSO+H"	79.021207
"1012794"	1525.392976	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2ACN+H"	83.060376
"1532013"	1526.386608	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+IsoProp+Na+H"	84.054008
"993357"	763.200126	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+2ACN+2H"	84.067652
"1590778"	1527.301228	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+K+HCOOH"	84.968628
"1420810"	1557.332738	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+H+CF3COOH"	115.000138
"1147454"	783.713401	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+3ACN+2H"	125.094202
"1699562"	1574.359285	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+NH4+CF3COOH"	132.026685
"1634154"	1579.31468	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+Na+CF3COOH"	136.98208
"1583986"	1595.28862	"C17626"	"Cinnamtannin A3"	"C75H62O30"	"1442.3326"	"M+K+CF3COOH"	152.95602
"804511"	1152.2536	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M"	0
"985698"	1133.23521	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-H2O-H"	-19.01839
"77221"	767.161790666667	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M-3H"	-3.021828
"515692"	1151.246324	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M-3H"	-3.021828
"894465"	383.077257333333	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-3H"	-3.021828
"12067"	1151.246324	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M-2H"	-2.014552
"453813"	1727.373124	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M-2H"	-2.014552
"831495"	575.119524	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-2H"	-2.014552
"93878"	2303.499924	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M-H"	-1.007276
"533355"	3455.753524	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M-H"	-1.007276
"910428"	1151.246324	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-H"	-1.007276
"62252"	2320.526471	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M-2H+NH4"	16.019271
"502624"	3472.780071	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M-2H+NH4"	16.019271
"879007"	1168.272871	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-2H+NH4"	16.019271
"43141"	2325.481866	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M-2H+Na"	20.974666
"482703"	3477.735466	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M-2H+Na"	20.974666
"856129"	1173.228266	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-2H+Na"	20.974666
"1623476"	1173.228266	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Na-2H"	20.974666
"98911"	1169.234663	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M-H+Cl"	33.962126
"537743"	1745.361463	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M-H+Cl"	33.962126
"930166"	593.107863	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-H+Cl"	33.962126
"269574"	2339.476602	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+Cl"	34.969402
"662969"	3491.730202	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+Cl"	34.969402
"1278655"	1187.223002	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Cl"	34.969402
"25586"	2341.455806	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M-2H+K"	36.948606
"468793"	3493.709406	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M-2H+K"	36.948606
"846961"	1189.202206	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-2H+K"	36.948606
"1568626"	1189.202206	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+K-2H"	36.948606
"954324"	1197.251794	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-H+HCOOH"	44.998194
"368166"	2349.505401	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+HCOOH-H"	44.998201
"359338"	2363.521051	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+Hac-H"	59.013851
"1498332"	1211.267451	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Hac-H"	59.013851
"966240"	1219.233751	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-H+NaCOOH"	66.980151
"119518"	1187.223002	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+2Cl"	69.938804
"555068"	1763.349802	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+2Cl"	69.938804
"1032254"	611.096202	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2Cl"	69.938804
"1252926"	1231.172485	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Br"	78.918885
"1315375"	1233.228472	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Cl+HCOOH"	80.974872
"1324124"	1255.210429	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Cl+NaCOOH"	102.956829
"916275"	1265.239186	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M-H+CF3COOH"	112.985586
"1291892"	1301.215864	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Cl+CF3COOH"	148.962264
"1375519"	1117.240924	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H-2H2O"	-35.012676
"1388640"	1135.2509	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H-H2O"	-17.0027
"284319"	2305.514476	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+H"	1.007276
"677838"	3457.768076	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+H"	1.007276
"1356739"	1153.260876	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H"	1.007276
"131451"	1153.260876	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+2H"	2.014552
"575751"	1729.387676	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+2H"	2.014552
"1046011"	577.134076	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2H"	2.014552
"212818"	769.176342666667	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+3H"	3.021828
"652377"	1153.260876	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+3H"	3.021828
"1171596"	385.091809333333	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+3H"	3.021828
"430497"	2322.541023	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+NH4"	18.033823
"791493"	3474.794623	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+NH4"	18.033823
"1693294"	1170.287423	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+NH4"	18.033823
"341572"	1161.7741495	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+H+NH4"	19.041099
"734723"	1737.9009495	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+H+NH4"	19.041099
"1485623"	585.6473495	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H+NH4"	19.041099
"401029"	2327.496418	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+Na"	22.989218
"762025"	3479.750018	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+Na"	22.989218
"1613401"	1175.242818	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Na"	22.989218
"321252"	1164.251847	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+H+Na"	23.996494
"718051"	1740.378647	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+H+Na"	23.996494
"1465313"	588.125047	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H+Na"	23.996494
"1057472"	392.419123333333	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2H+Na"	25.00377
"1260607"	1185.287086	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+CH3OH+H"	33.033486
"386474"	2343.470358	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+K"	38.963158
"746377"	3495.723958	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+K"	38.963158
"1548432"	1191.216758	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+K"	38.963158
"306702"	1172.238817	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+H+K"	39.970434
"696934"	1748.365617	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+H+K"	39.970434
"1448566"	596.112017	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H+K"	39.970434
"238260"	2346.541026	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+ACN+H"	42.033826
"1210963"	1194.287426	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+ACN+H"	42.033826
"1195452"	597.647351	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+ACN+2H"	43.041102
"190266"	2349.47836	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+2Na-H"	44.97116
"630193"	3501.73196	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+2Na-H"	44.97116
"1132603"	1197.22476	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2Na-H"	44.97116
"173464"	1175.242818	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+2Na"	45.978436
"613756"	1751.369618	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+2Na"	45.978436
"1120427"	599.116018	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2Na"	45.978436
"1409428"	399.746437333333	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H+2Na"	46.985712
"1440451"	1199.266346	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H+HCOOH"	47.012746
"229781"	1180.27584	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+3H2O+2H"	56.04448
"1516019"	1213.31839	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+IsoProp+H"	61.06479
"414611"	1183.229788	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+Na+K"	61.952376
"774515"	1759.356588	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+Na+K"	61.952376
"1666955"	607.102988	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Na+K"	61.952376
"255178"	2368.522968	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+ACN+Na"	64.015768
"1228980"	1216.269368	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+ACN+Na"	64.015768
"1720054"	1216.292893	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+NH4+HCOOH"	64.039293
"1184314"	407.073751333333	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+3Na"	68.967654
"1656392"	1221.248288	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Na+HCOOH"	68.994688
"165440"	2381.42624	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+2K-H"	76.91904
"610468"	3533.67984	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+2K-H"	76.91904
"1090607"	1229.17264	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2K-H"	76.91904
"152890"	1191.216758	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"2M+2K"	77.926316
"590268"	1767.343558	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"3M+2K"	77.926316
"1073690"	615.089958	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2K"	77.926316
"1102525"	1231.187192	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2K+H"	78.933592
"1342191"	1231.274807	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+DMSO+H"	79.021207
"1012907"	1235.313976	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2ACN+H"	83.060376
"1531034"	1236.307608	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+IsoProp+Na+H"	84.054008
"994201"	618.160626	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+2ACN+2H"	84.067652
"1595267"	1237.222228	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+K+HCOOH"	84.968628
"1424207"	1267.253738	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+H+CF3COOH"	115.000138
"1153403"	638.673901	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+3ACN+2H"	125.094202
"1707331"	1284.280285	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+NH4+CF3COOH"	132.026685
"1645167"	1289.23568	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+Na+CF3COOH"	136.98208
"1584098"	1305.20962	"C17629"	"Cinnamtannin B2"	"C60H48O24"	"1152.2536"	"M+K+CF3COOH"	152.95602
"813369"	864.1902	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M"	0
"989212"	845.17181	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-H2O-H"	-19.01839
"74050"	575.119524	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M-3H"	-3.021828
"518513"	863.182924	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M-3H"	-3.021828
"895509"	287.056124	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-3H"	-3.021828
"15303"	863.182924	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M-2H"	-2.014552
"455576"	1295.278024	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M-2H"	-2.014552
"832720"	431.087824	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-2H"	-2.014552
"93542"	1727.373124	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M-H"	-1.007276
"533467"	2591.563324	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M-H"	-1.007276
"910539"	863.182924	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-H"	-1.007276
"60174"	1744.399671	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M-2H+NH4"	16.019271
"501923"	2608.589871	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M-2H+NH4"	16.019271
"879118"	880.209471	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-2H+NH4"	16.019271
"42157"	1749.355066	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M-2H+Na"	20.974666
"481720"	2613.545266	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M-2H+Na"	20.974666
"857333"	885.164866	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-2H+Na"	20.974666
"1620308"	885.164866	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Na-2H"	20.974666
"96471"	881.171263	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M-H+Cl"	33.962126
"536759"	1313.266363	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M-H+Cl"	33.962126
"928209"	449.076163	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-H+Cl"	33.962126
"269927"	1763.349802	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+Cl"	34.969402
"663079"	2627.540002	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+Cl"	34.969402
"1285326"	899.159602	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Cl"	34.969402
"25696"	1765.329006	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M-2H+K"	36.948606
"468174"	2629.519206	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M-2H+K"	36.948606
"845249"	901.138806	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-2H+K"	36.948606
"1566548"	901.138806	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+K-2H"	36.948606
"957839"	909.188394	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-H+HCOOH"	44.998194
"374113"	1773.378601	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+HCOOH-H"	44.998201
"356533"	1787.394251	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+Hac-H"	59.013851
"1503183"	923.204051	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Hac-H"	59.013851
"967445"	931.170351	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-H+NaCOOH"	66.980151
"118537"	899.159602	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+2Cl"	69.938804
"559191"	1331.254702	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+2Cl"	69.938804
"1031276"	467.064502	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2Cl"	69.938804
"1251950"	943.109085	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Br"	78.918885
"1318041"	945.165072	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Cl+HCOOH"	80.974872
"1326423"	967.147029	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Cl+NaCOOH"	102.956829
"916387"	977.175786	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M-H+CF3COOH"	112.985586
"1295283"	1013.152464	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Cl+CF3COOH"	148.962264
"1374537"	829.177524	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H-2H2O"	-35.012676
"1389845"	847.1875	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H-H2O"	-17.0027
"285526"	1729.387676	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+H"	1.007276
"683052"	2593.577876	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+H"	1.007276
"1356121"	865.197476	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H"	1.007276
"137393"	865.197476	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+2H"	2.014552
"579141"	1297.292576	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+2H"	2.014552
"1046120"	433.102376	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2H"	2.014552
"218396"	577.134076	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+3H"	3.021828
"654674"	865.197476	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+3H"	3.021828
"1173528"	289.070676	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+3H"	3.021828
"432794"	1746.414223	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+NH4"	18.033823
"796707"	2610.604423	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+NH4"	18.033823
"1689026"	882.224023	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+NH4"	18.033823
"340589"	873.7107495	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+H+NH4"	19.041099
"735198"	1305.8058495	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+H+NH4"	19.041099
"1491204"	441.6156495	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H+NH4"	19.041099
"404421"	1751.369618	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+Na"	22.989218
"765416"	2615.559818	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+Na"	22.989218
"1615701"	887.179418	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Na"	22.989218
"324642"	876.188447	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+H+Na"	23.996494
"718164"	1308.283547	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+H+Na"	23.996494
"1467610"	444.093347	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H+Na"	23.996494
"1057582"	296.39799	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2H+Na"	25.00377
"1262540"	897.223686	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+CH3OH+H"	33.033486
"385490"	1767.343558	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+K"	38.963158
"746487"	2631.533758	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+K"	38.963158
"1550729"	903.153358	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+K"	38.963158
"307905"	884.175417	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+H+K"	39.970434
"698138"	1316.270517	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+H+K"	39.970434
"1449770"	452.080317	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H+K"	39.970434
"238372"	1770.414226	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+ACN+H"	42.033826
"1210466"	906.224026	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+ACN+H"	42.033826
"1198238"	453.615651	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+ACN+2H"	43.041102
"189164"	1773.35156	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+2Na-H"	44.97116
"628556"	2637.54176	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+2Na-H"	44.97116
"1131379"	909.16136	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2Na-H"	44.97116
"174428"	887.179418	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+2Na"	45.978436
"613379"	1319.274518	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+2Na"	45.978436
"1119809"	455.084318	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2Na"	45.978436
"1408445"	303.725304	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H+2Na"	46.985712
"1440561"	911.202946	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H+HCOOH"	47.012746
"230256"	892.21244	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+3H2O+2H"	56.04448
"1519045"	925.25499	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+IsoProp+H"	61.06479
"421283"	895.166388	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+Na+K"	61.952376
"774625"	1327.261488	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+Na+K"	61.952376
"1667795"	463.071288	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Na+K"	61.952376
"257474"	1792.396168	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+ACN+Na"	64.015768
"1227997"	928.205968	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+ACN+Na"	64.015768
"1716884"	928.229493	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+NH4+HCOOH"	64.039293
"1186610"	311.052618	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+3Na"	68.967654
"1658691"	933.184888	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Na+HCOOH"	68.994688
"168831"	1805.29944	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+2K-H"	76.91904
"611673"	2669.48964	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+2K-H"	76.91904
"1098978"	941.10924	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2K-H"	76.91904
"150813"	903.153358	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"2M+2K"	77.926316
"593658"	1335.248458	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"3M+2K"	77.926316
"1074894"	471.058258	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2K"	77.926316
"1108103"	943.123792	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2K+H"	78.933592
"1344487"	943.211407	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+DMSO+H"	79.021207
"1011924"	947.250576	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2ACN+H"	83.060376
"1534423"	948.244208	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+IsoProp+Na+H"	84.054008
"996497"	474.128926	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+2ACN+2H"	84.067652
"1593189"	949.158828	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+K+HCOOH"	84.968628
"1421037"	979.190338	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+H+CF3COOH"	115.000138
"1153513"	494.642201	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+3ACN+2H"	125.094202
"1708534"	996.216885	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+NH4+CF3COOH"	132.026685
"1645277"	1001.17228	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+Na+CF3COOH"	136.98208
"1584208"	1017.14622	"C17631"	"Cinnamtannin B1"	"C45H36O18"	"864.1902"	"M+K+CF3COOH"	152.95602
"814208"	864.1902	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M"	0
"986648"	845.17181	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-H2O-H"	-19.01839
"77441"	575.119524	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M-3H"	-3.021828
"518104"	863.182924	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M-3H"	-3.021828
"894809"	287.056124	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-3H"	-3.021828
"15211"	863.182924	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M-2H"	-2.014552
"455564"	1295.278024	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M-2H"	-2.014552
"830744"	431.087824	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-2H"	-2.014552
"91829"	1727.373124	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M-H"	-1.007276
"532363"	2591.563324	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M-H"	-1.007276
"908340"	863.182924	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-H"	-1.007276
"60042"	1744.399671	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M-2H+NH4"	16.019271
"499844"	2608.589871	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M-2H+NH4"	16.019271
"878254"	880.209471	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-2H+NH4"	16.019271
"42268"	1749.355066	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M-2H+Na"	20.974666
"481828"	2613.545266	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M-2H+Na"	20.974666
"860723"	885.164866	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-2H+Na"	20.974666
"1620418"	885.164866	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Na-2H"	20.974666
"96944"	881.171263	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M-H+Cl"	33.962126
"537601"	1313.266363	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M-H+Cl"	33.962126
"934399"	449.076163	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-H+Cl"	33.962126
"271862"	1763.349802	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+Cl"	34.969402
"662096"	2627.540002	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+Cl"	34.969402
"1278874"	899.159602	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Cl"	34.969402
"22524"	1765.329006	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M-2H+K"	36.948606
"469745"	2629.519206	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M-2H+K"	36.948606
"845359"	901.138806	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-2H+K"	36.948606
"1567752"	901.138806	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+K-2H"	36.948606
"956733"	909.188394	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-H+HCOOH"	44.998194
"371665"	1773.378601	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+HCOOH-H"	44.998201
"353361"	1787.394251	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+Hac-H"	59.013851
"1504024"	923.204051	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Hac-H"	59.013851
"972903"	931.170351	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-H+NaCOOH"	66.980151
"123755"	899.159602	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+2Cl"	69.938804
"562949"	1331.254702	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+2Cl"	69.938804
"1035031"	467.064502	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2Cl"	69.938804
"1254608"	943.109085	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Br"	78.918885
"1315595"	945.165072	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Cl+HCOOH"	80.974872
"1324347"	967.147029	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Cl+NaCOOH"	102.956829
"916499"	977.175786	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M-H+CF3COOH"	112.985586
"1299404"	1013.152464	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Cl+CF3COOH"	148.962264
"1375742"	829.177524	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H-2H2O"	-35.012676
"1392144"	847.1875	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H-H2O"	-17.0027
"292926"	1729.387676	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+H"	1.007276
"688994"	2593.577876	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+H"	1.007276
"1361700"	865.197476	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H"	1.007276
"139327"	865.197476	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+2H"	2.014552
"580106"	1297.292576	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+2H"	2.014552
"1052308"	433.102376	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2H"	2.014552
"217777"	577.134076	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+3H"	3.021828
"659483"	865.197476	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+3H"	3.021828
"1177972"	289.070676	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+3H"	3.021828
"431813"	1746.414223	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+NH4"	18.033823
"797181"	2610.604423	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+NH4"	18.033823
"1691325"	882.224023	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+NH4"	18.033823
"340699"	873.7107495	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+H+NH4"	19.041099
"736401"	1305.8058495	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+H+NH4"	19.041099
"1490950"	441.6156495	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H+NH4"	19.041099
"405627"	1751.369618	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+Na"	22.989218
"769783"	2615.559818	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+Na"	22.989218
"1616541"	887.179418	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Na"	22.989218
"327913"	876.188447	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+H+Na"	23.996494
"719366"	1308.283547	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+H+Na"	23.996494
"1465533"	444.093347	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H+Na"	23.996494
"1059879"	296.39799	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2H+Na"	25.00377
"1262650"	897.223686	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+CH3OH+H"	33.033486
"389611"	1767.343558	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+K"	38.963158
"752796"	2631.533758	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+K"	38.963158
"1554121"	903.153358	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+K"	38.963158
"311664"	884.175417	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+H+K"	39.970434
"704809"	1316.270517	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+H+K"	39.970434
"1452068"	452.080317	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H+K"	39.970434
"242856"	1770.414226	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+ACN+H"	42.033826
"1216659"	906.224026	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+ACN+H"	42.033826
"1199448"	453.615651	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+ACN+2H"	43.041102
"194505"	1773.35156	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+2Na-H"	44.97116
"634063"	2637.54176	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+2Na-H"	44.97116
"1134284"	909.16136	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2Na-H"	44.97116
"181952"	887.179418	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+2Na"	45.978436
"619324"	1319.274518	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+2Na"	45.978436
"1123198"	455.084318	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2Na"	45.978436
"1412931"	303.725304	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H+2Na"	46.985712
"1444318"	911.202946	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H+HCOOH"	47.012746
"231096"	892.21244	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+3H2O+2H"	56.04448
"1518427"	925.25499	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+IsoProp+H"	61.06479
"420665"	895.166388	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+Na+K"	61.952376
"775829"	1327.261488	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+Na+K"	61.952376
"1671064"	463.071288	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Na+K"	61.952376
"257584"	1792.396168	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+ACN+Na"	64.015768
"1231389"	928.205968	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+ACN+Na"	64.015768
"1722462"	928.229493	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+NH4+HCOOH"	64.039293
"1187816"	311.052618	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+3Na"	68.967654
"1660989"	933.184888	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Na+HCOOH"	68.994688
"170036"	1805.29944	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+2K-H"	76.91904
"609597"	2669.48964	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+2K-H"	76.91904
"1097753"	941.10924	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2K-H"	76.91904
"154204"	903.153358	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"2M+2K"	77.926316
"593768"	1335.248458	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"3M+2K"	77.926316
"1077191"	471.058258	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2K"	77.926316
"1111497"	943.123792	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2K+H"	78.933592
"1346785"	943.211407	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+DMSO+H"	79.021207
"1016408"	947.250576	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2ACN+H"	83.060376
"1533441"	948.244208	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+IsoProp+Na+H"	84.054008
"1000982"	474.128926	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+2ACN+2H"	84.067652
"1595486"	949.158828	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+K+HCOOH"	84.968628
"1418960"	979.190338	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+H+CF3COOH"	115.000138
"1148518"	494.642201	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+3ACN+2H"	125.094202
"1707550"	996.216885	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+NH4+CF3COOH"	132.026685
"1642106"	1001.17228	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+Na+CF3COOH"	136.98208
"1584318"	1017.14622	"C17632"	"Cinnamtannin D1"	"C45H36O18"	"864.1902"	"M+K+CF3COOH"	152.95602
"804841"	1152.2536	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M"	0
"980560"	1133.23521	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-H2O-H"	-19.01839
"70990"	767.161790666667	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M-3H"	-3.021828
"512737"	1151.246324	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M-3H"	-3.021828
"894065"	383.077257333333	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-3H"	-3.021828
"13492"	1151.246324	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M-2H"	-2.014552
"453051"	1727.373124	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M-2H"	-2.014552
"830854"	575.119524	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-2H"	-2.014552
"92181"	2303.499924	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M-H"	-1.007276
"530404"	3455.753524	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M-H"	-1.007276
"906022"	1151.246324	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-H"	-1.007276
"57844"	2320.526471	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M-2H+NH4"	16.019271
"499834"	3472.780071	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M-2H+NH4"	16.019271
"875570"	1168.272871	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-2H+NH4"	16.019271
"42378"	2325.481866	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M-2H+Na"	20.974666
"480845"	3477.735466	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M-2H+Na"	20.974666
"856457"	1173.228266	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-2H+Na"	20.974666
"1620527"	1173.228266	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Na-2H"	20.974666
"95959"	1169.234663	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M-H+Cl"	33.962126
"535157"	1745.361463	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M-H+Cl"	33.962126
"934509"	593.107863	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-H+Cl"	33.962126
"271972"	2339.476602	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+Cl"	34.969402
"660379"	3491.730202	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+Cl"	34.969402
"1277891"	1187.223002	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Cl"	34.969402
"15780"	2341.455806	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M-2H+K"	36.948606
"456970"	3493.709406	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M-2H+K"	36.948606
"838905"	1189.202206	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-2H+K"	36.948606
"1563487"	1189.202206	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+K-2H"	36.948606
"946268"	1197.251794	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-H+HCOOH"	44.998194
"371775"	2349.505401	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+HCOOH-H"	44.998201
"350189"	2363.521051	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+Hac-H"	59.013851
"1503405"	1211.267451	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Hac-H"	59.013851
"970582"	1219.233751	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-H+NaCOOH"	66.980151
"119489"	1187.223002	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+2Cl"	69.938804
"562331"	1763.349802	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+2Cl"	69.938804
"1034046"	611.096202	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2Cl"	69.938804
"1254718"	1231.172485	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Br"	78.918885
"1317896"	1233.228472	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Cl+HCOOH"	80.974872
"1323730"	1255.210429	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Cl+NaCOOH"	102.956829
"915520"	1265.239186	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M-H+CF3COOH"	112.985586
"1293320"	1301.215864	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Cl+CF3COOH"	148.962264
"1377677"	1117.240924	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H-2H2O"	-35.012676
"1394807"	1135.2509	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H-H2O"	-17.0027
"289756"	2305.514476	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+H"	1.007276
"681084"	3457.768076	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+H"	1.007276
"1354882"	1153.260876	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H"	1.007276
"137978"	1153.260876	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+2H"	2.014552
"579364"	1729.387676	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+2H"	2.014552
"1046340"	577.134076	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2H"	2.014552
"217523"	769.176342666667	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+3H"	3.021828
"658175"	1153.260876	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+3H"	3.021828
"1173020"	385.091809333333	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+3H"	3.021828
"430830"	2322.541023	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+NH4"	18.033823
"796199"	3474.794623	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+NH4"	18.033823
"1689249"	1170.287423	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+NH4"	18.033823
"339716"	1161.7741495	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+H+NH4"	19.041099
"731043"	1737.9009495	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+H+NH4"	19.041099
"1483769"	585.6473495	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H+NH4"	19.041099
"405737"	2327.496418	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+Na"	22.989218
"767822"	3479.750018	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+Na"	22.989218
"1614827"	1175.242818	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Na"	22.989218
"325957"	1164.251847	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+H+Na"	23.996494
"717290"	1740.378647	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+H+Na"	23.996494
"1464550"	588.125047	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H+Na"	23.996494
"1059989"	392.419123333333	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2H+Na"	25.00377
"1262760"	1185.287086	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+CH3OH+H"	33.033486
"388992"	2343.470358	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+K"	38.963158
"752177"	3495.723958	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+K"	38.963158
"1553138"	1191.216758	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+K"	38.963158
"313231"	1172.238817	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+H+K"	39.970434
"700545"	1748.365617	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+H+K"	39.970434
"1452178"	596.112017	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H+K"	39.970434
"240779"	2346.541026	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+ACN+H"	42.033826
"1214583"	1194.287426	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+ACN+H"	42.033826
"1197372"	597.647351	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+ACN+2H"	43.041102
"191336"	2349.47836	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+2Na-H"	44.97116
"634173"	3501.73196	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+2Na-H"	44.97116
"1134395"	1197.22476	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2Na-H"	44.97116
"179876"	1175.242818	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+2Na"	45.978436
"619434"	1751.369618	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+2Na"	45.978436
"1121122"	599.116018	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2Na"	45.978436
"1411948"	399.746437333333	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H+2Na"	46.985712
"1442969"	1199.266346	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H+HCOOH"	47.012746
"232299"	1180.27584	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+3H2O+2H"	56.04448
"1518903"	1213.31839	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+IsoProp+H"	61.06479
"420046"	1183.229788	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+Na+K"	61.952376
"778125"	1759.356588	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+Na+K"	61.952376
"1670081"	607.102988	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Na+K"	61.952376
"257695"	2368.522968	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+ACN+Na"	64.015768
"1229312"	1216.269368	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+ACN+Na"	64.015768
"1720385"	1216.292893	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+NH4+HCOOH"	64.039293
"1185739"	407.073751333333	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+3Na"	68.967654
"1664378"	1221.248288	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Na+HCOOH"	68.994688
"171969"	2381.42624	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+2K-H"	76.91904
"607519"	3533.67984	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+2K-H"	76.91904
"1097864"	1229.17264	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2K-H"	76.91904
"154314"	1191.216758	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"2M+2K"	77.926316
"591692"	1767.343558	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"3M+2K"	77.926316
"1077301"	615.089958	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2K"	77.926316
"1110512"	1231.187192	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2K+H"	78.933592
"1345803"	1231.274807	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+DMSO+H"	79.021207
"1017250"	1235.313976	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2ACN+H"	83.060376
"1535739"	1236.307608	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+IsoProp+Na+H"	84.054008
"998906"	618.160626	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+2ACN+2H"	84.067652
"1594503"	1237.222228	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+K+HCOOH"	84.968628
"1421257"	1267.253738	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+H+CF3COOH"	115.000138
"1150451"	638.673901	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+3ACN+2H"	125.094202
"1707658"	1284.280285	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+NH4+CF3COOH"	132.026685
"1642216"	1289.23568	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+Na+CF3COOH"	136.98208
"1584428"	1305.20962	"C17633"	"Cinnamtannin D2"	"C60H48O24"	"1152.2536"	"M+K+CF3COOH"	152.95602
"816016"	330.1679	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M"	0
"989061"	311.14951	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-H2O-H"	-19.01839
"77544"	219.104657333333	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M-3H"	-3.021828
"518041"	329.160624	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M-3H"	-3.021828
"895314"	109.048690666667	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-3H"	-3.021828
"15390"	329.160624	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M-2H"	-2.014552
"452444"	494.244574	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M-2H"	-2.014552
"831697"	164.076674	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-2H"	-2.014552
"92178"	659.328524	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M-H"	-1.007276
"531496"	989.496424	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M-H"	-1.007276
"906132"	329.160624	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-H"	-1.007276
"59412"	676.355071	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M-2H+NH4"	16.019271
"497879"	1006.522971	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M-2H+NH4"	16.019271
"877751"	346.187171	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-2H+NH4"	16.019271
"42490"	681.310466	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M-2H+Na"	20.974666
"483142"	1011.478366	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M-2H+Na"	20.974666
"855474"	351.142566	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-2H+Na"	20.974666
"1619662"	351.142566	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Na-2H"	20.974666
"94932"	347.148963	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M-H+Cl"	33.962126
"534902"	512.232913	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M-H+Cl"	33.962126
"934619"	182.065013	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-H+Cl"	33.962126
"272082"	695.305202	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+Cl"	34.969402
"660731"	1025.473102	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+Cl"	34.969402
"1275814"	365.137302	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Cl"	34.969402
"16906"	697.284406	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M-2H+K"	36.948606
"460118"	1027.452306	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M-2H+K"	36.948606
"842297"	367.116506	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-2H+K"	36.948606
"1563596"	367.116506	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+K-2H"	36.948606
"947471"	375.166094	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-H+HCOOH"	44.998194
"371885"	705.334001	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+HCOOH-H"	44.998201
"352851"	719.349651	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+Hac-H"	59.013851
"1502788"	389.181751	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Hac-H"	59.013851
"972640"	397.148051	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-H+NaCOOH"	66.980151
"116685"	365.137302	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+2Cl"	69.938804
"557340"	530.221252	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+2Cl"	69.938804
"1028326"	200.053352	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2Cl"	69.938804
"1254831"	409.086785	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Br"	78.918885
"1317642"	411.142772	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Cl+HCOOH"	80.974872
"1327119"	433.124729	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Cl+NaCOOH"	102.956829
"915994"	443.153486	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M-H+CF3COOH"	112.985586
"1294522"	479.130164	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Cl+CF3COOH"	148.962264
"1374873"	295.155224	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H-2H2O"	-35.012676
"1389087"	313.1652	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H-H2O"	-17.0027
"295337"	661.343076	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+H"	1.007276
"686662"	991.510976	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+H"	1.007276
"1366056"	331.175176	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H"	1.007276
"139186"	331.175176	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+2H"	2.014552
"581103"	496.259126	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+2H"	2.014552
"1046456"	166.091226	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2H"	2.014552
"216544"	221.119209333333	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+3H"	3.021828
"653918"	331.175176	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+3H"	3.021828
"1170949"	111.063242666667	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+3H"	3.021828
"434221"	678.369623	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+NH4"	18.033823
"800685"	1008.537523	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+NH4"	18.033823
"1696292"	348.201723	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+NH4"	18.033823
"345302"	339.6884495	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+H+NH4"	19.041099
"736259"	504.7723995	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+H+NH4"	19.041099
"1492032"	174.6044995	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H+NH4"	19.041099
"407915"	683.325018	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+Na"	22.989218
"768906"	1013.492918	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+Na"	22.989218
"1617697"	353.157118	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Na"	22.989218
"328260"	342.166147	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+H+Na"	23.996494
"720680"	507.250097	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+H+Na"	23.996494
"1465021"	177.082197	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H+Na"	23.996494
"1060099"	118.390556666667	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2H+Na"	25.00377
"1262870"	363.201386	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+CH3OH+H"	33.033486
"381443"	699.298958	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+K"	38.963158
"745723"	1029.466858	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+K"	38.963158
"1553611"	369.131058	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+K"	38.963158
"312974"	350.153117	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+H+K"	39.970434
"700654"	515.237067	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+H+K"	39.970434
"1452287"	185.069167	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H+K"	39.970434
"244169"	702.369626	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+ACN+H"	42.033826
"1216880"	372.201726	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+ACN+H"	42.033826
"1205137"	186.604501	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+ACN+2H"	43.041102
"193634"	705.30696	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+2Na-H"	44.97116
"632826"	1035.47486	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+2Na-H"	44.97116
"1137791"	375.13906	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2Na-H"	44.97116
"176711"	353.157118	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+2Na"	45.978436
"616999"	518.241068	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+2Na"	45.978436
"1129987"	188.073168	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2Na"	45.978436
"1413156"	125.717870666667	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H+2Na"	46.985712
"1443084"	377.180646	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H+HCOOH"	47.012746
"232773"	358.19014	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+3H2O+2H"	56.04448
"1520471"	391.23269	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+IsoProp+H"	61.06479
"419426"	361.144088	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+Na+K"	61.952376
"779328"	526.228038	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+Na+K"	61.952376
"1673472"	196.060138	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Na+K"	61.952376
"263273"	724.351568	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+ACN+Na"	64.015768
"1233796"	394.183668	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+ACN+Na"	64.015768
"1721589"	394.207193	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+NH4+HCOOH"	64.039293
"1191682"	133.045184666667	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+3Na"	68.967654
"1662674"	399.162588	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Na+HCOOH"	68.994688
"170630"	737.25484	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+2K-H"	76.91904
"610182"	1067.42274	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+2K-H"	76.91904
"1098219"	407.08694	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2K-H"	76.91904
"156375"	369.131058	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"2M+2K"	77.926316
"591444"	534.215008	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"3M+2K"	77.926316
"1076319"	204.047108	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2K"	77.926316
"1109166"	409.101492	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2K+H"	78.933592
"1344823"	409.189107	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+DMSO+H"	79.021207
"1014445"	413.228276	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2ACN+H"	83.060376
"1531476"	414.221908	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+IsoProp+Na+H"	84.054008
"999017"	207.117776	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+2ACN+2H"	84.067652
"1596798"	415.136528	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+K+HCOOH"	84.968628
"1422458"	445.168038	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+H+CF3COOH"	115.000138
"1152745"	227.631051	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+3ACN+2H"	125.094202
"1701207"	462.194585	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+NH4+CF3COOH"	132.026685
"1637947"	467.14998	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+Na+CF3COOH"	136.98208
"1584538"	483.12392	"C17634"	"Schizonepetoside A"	"C16H26O7"	"330.1679"	"M+K+CF3COOH"	152.95602
"805061"	330.1679	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M"	0
"987343"	311.14951	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-H2O-H"	-19.01839
"76314"	219.104657333333	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M-3H"	-3.021828
"512958"	329.160624	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M-3H"	-3.021828
"891853"	109.048690666667	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-3H"	-3.021828
"15661"	329.160624	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M-2H"	-2.014552
"454371"	494.244574	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M-2H"	-2.014552
"831077"	164.076674	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-2H"	-2.014552
"92896"	659.328524	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M-H"	-1.007276
"531362"	989.496424	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M-H"	-1.007276
"906242"	329.160624	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-H"	-1.007276
"59522"	676.355071	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M-2H+NH4"	16.019271
"499081"	1006.522971	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M-2H+NH4"	16.019271
"877618"	346.187171	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-2H+NH4"	16.019271
"44059"	681.310466	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M-2H+Na"	20.974666
"478879"	1011.478366	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M-2H+Na"	20.974666
"856679"	351.142566	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-2H+Na"	20.974666
"1618961"	351.142566	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Na-2H"	20.974666
"94882"	347.148963	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M-H+Cl"	33.962126
"534771"	512.232913	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M-H+Cl"	33.962126
"934729"	182.065013	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-H+Cl"	33.962126
"272192"	695.305202	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+Cl"	34.969402
"660599"	1025.473102	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+Cl"	34.969402
"1275924"	365.137302	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Cl"	34.969402
"16286"	697.284406	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M-2H+K"	36.948606
"459135"	1027.452306	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M-2H+K"	36.948606
"840220"	367.116506	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-2H+K"	36.948606
"1563706"	367.116506	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+K-2H"	36.948606
"948674"	375.166094	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-H+HCOOH"	44.998194
"371995"	705.334001	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+HCOOH-H"	44.998201
"352961"	719.349651	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+Hac-H"	59.013851
"1504720"	389.181751	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Hac-H"	59.013851
"972627"	397.148051	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-H+NaCOOH"	66.980151
"116795"	365.137302	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+2Cl"	69.938804
"560729"	530.221252	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+2Cl"	69.938804
"1029529"	200.053352	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2Cl"	69.938804
"1251297"	409.086785	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Br"	78.918885
"1314838"	411.142772	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Cl+HCOOH"	80.974872
"1329051"	433.124729	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Cl+NaCOOH"	102.956829
"917197"	443.153486	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M-H+CF3COOH"	112.985586
"1293539"	479.130164	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Cl+CF3COOH"	148.962264
"1380451"	295.155224	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H-2H2O"	-35.012676
"1391385"	313.1652	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H-H2O"	-17.0027
"289612"	661.343076	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+H"	1.007276
"686772"	991.510976	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+H"	1.007276
"1366796"	331.175176	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H"	1.007276
"141243"	331.175176	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+2H"	2.014552
"581267"	496.259126	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+2H"	2.014552
"1046566"	166.091226	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2H"	2.014552
"216654"	221.119209333333	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+3H"	3.021828
"651841"	331.175176	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+3H"	3.021828
"1175434"	111.063242666667	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+3H"	3.021828
"435426"	678.369623	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+NH4"	18.033823
"798974"	1008.537523	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+NH4"	18.033823
"1695671"	348.201723	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+NH4"	18.033823
"342856"	339.6884495	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+H+NH4"	19.041099
"736370"	504.7723995	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+H+NH4"	19.041099
"1491653"	174.6044995	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H+NH4"	19.041099
"407779"	683.325018	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+Na"	22.989218
"769381"	1013.492918	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+Na"	22.989218
"1616145"	353.157118	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Na"	22.989218
"328732"	342.166147	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+H+Na"	23.996494
"716416"	507.250097	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+H+Na"	23.996494
"1463675"	177.082197	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H+Na"	23.996494
"1058023"	118.390556666667	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2H+Na"	25.00377
"1262981"	363.201386	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+CH3OH+H"	33.033486
"380462"	699.298958	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+K"	38.963158
"745833"	1029.466858	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+K"	38.963158
"1553357"	369.131058	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+K"	38.963158
"310532"	350.153117	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+H+K"	39.970434
"697484"	515.237067	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+H+K"	39.970434
"1453490"	185.069167	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H+K"	39.970434
"246466"	702.369626	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+ACN+H"	42.033826
"1219177"	372.201726	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+ACN+H"	42.033826
"1203061"	186.604501	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+ACN+2H"	43.041102
"193378"	705.30696	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+2Na-H"	44.97116
"638037"	1035.47486	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+2Na-H"	44.97116
"1141180"	375.13906	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2Na-H"	44.97116
"176819"	353.157118	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+2Na"	45.978436
"618200"	518.241068	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+2Na"	45.978436
"1130583"	188.073168	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2Na"	45.978436
"1412538"	125.717870666667	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H+2Na"	46.985712
"1445260"	377.180646	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H+HCOOH"	47.012746
"233617"	358.19014	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+3H2O+2H"	56.04448
"1522040"	391.23269	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+IsoProp+H"	61.06479
"422453"	361.144088	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+Na+K"	61.952376
"780533"	526.228038	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+Na+K"	61.952376
"1679782"	196.060138	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Na+K"	61.952376
"265206"	724.351568	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+ACN+Na"	64.015768
"1236092"	394.183668	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+ACN+Na"	64.015768
"1725710"	394.207193	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+NH4+HCOOH"	64.039293
"1192161"	133.045184666667	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+3Na"	68.967654
"1663512"	399.162588	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Na+HCOOH"	68.994688
"171106"	737.25484	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+2K-H"	76.91904
"611386"	1067.42274	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+2K-H"	76.91904
"1099181"	407.08694	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2K-H"	76.91904
"156605"	369.131058	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"2M+2K"	77.926316
"592647"	534.215008	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"3M+2K"	77.926316
"1075336"	204.047108	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2K"	77.926316
"1110367"	409.101492	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2K+H"	78.933592
"1344931"	409.189107	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+DMSO+H"	79.021207
"1015647"	413.228276	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2ACN+H"	83.060376
"1533773"	414.221908	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+IsoProp+Na+H"	84.054008
"999126"	207.117776	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+2ACN+2H"	84.067652
"1596907"	415.136528	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+K+HCOOH"	84.968628
"1422568"	445.168038	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+H+CF3COOH"	115.000138
"1152854"	227.631051	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+3ACN+2H"	125.094202
"1701317"	462.194585	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+NH4+CF3COOH"	132.026685
"1635871"	467.14998	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+Na+CF3COOH"	136.98208
"1584648"	483.12392	"C17635"	"Schizonepetoside B"	"C16H26O7"	"330.1679"	"M+K+CF3COOH"	152.95602
"810638"	330.1679	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M"	0
"988548"	311.14951	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-H2O-H"	-19.01839
"75695"	219.104657333333	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M-3H"	-3.021828
"511975"	329.160624	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M-3H"	-3.021828
"890870"	109.048690666667	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-3H"	-3.021828
"11629"	329.160624	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M-2H"	-2.014552
"455087"	494.244574	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M-2H"	-2.014552
"828998"	164.076674	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-2H"	-2.014552
"93004"	659.328524	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M-H"	-1.007276
"531832"	989.496424	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M-H"	-1.007276
"906717"	329.160624	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-H"	-1.007276
"55258"	676.355071	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M-2H+NH4"	16.019271
"494818"	1006.522971	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M-2H+NH4"	16.019271
"877364"	346.187171	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-2H+NH4"	16.019271
"41617"	681.310466	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M-2H+Na"	20.974666
"480083"	1011.478366	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M-2H+Na"	20.974666
"855696"	351.142566	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-2H+Na"	20.974666
"1618464"	351.142566	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Na-2H"	20.974666
"95193"	347.148963	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M-H+Cl"	33.962126
"534921"	512.232913	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M-H+Cl"	33.962126
"934839"	182.065013	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-H+Cl"	33.962126
"272302"	695.305202	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+Cl"	34.969402
"660954"	1025.473102	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+Cl"	34.969402
"1276034"	365.137302	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Cl"	34.969402
"15950"	697.284406	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M-2H+K"	36.948606
"459245"	1027.452306	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M-2H+K"	36.948606
"834858"	367.116506	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-2H+K"	36.948606
"1564909"	367.116506	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+K-2H"	36.948606
"947325"	375.166094	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-H+HCOOH"	44.998194
"372105"	705.334001	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+HCOOH-H"	44.998201
"350884"	719.349651	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+Hac-H"	59.013851
"1504465"	389.181751	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Hac-H"	59.013851
"973715"	397.148051	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-H+NaCOOH"	66.980151
"122373"	365.137302	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+2Cl"	69.938804
"563027"	530.221252	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+2Cl"	69.938804
"1034744"	200.053352	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2Cl"	69.938804
"1254322"	409.086785	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Br"	78.918885
"1317501"	411.142772	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Cl+HCOOH"	80.974872
"1328068"	433.124729	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Cl+NaCOOH"	102.956829
"916941"	443.153486	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M-H+CF3COOH"	112.985586
"1298023"	479.130164	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Cl+CF3COOH"	148.962264
"1379466"	295.155224	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H-2H2O"	-35.012676
"1391494"	313.1652	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H-H2O"	-17.0027
"287899"	661.343076	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+H"	1.007276
"686518"	991.510976	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+H"	1.007276
"1366783"	331.175176	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H"	1.007276
"141287"	331.175176	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+2H"	2.014552
"581370"	496.259126	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+2H"	2.014552
"1048863"	166.091226	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2H"	2.014552
"217494"	221.119209333333	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+3H"	3.021828
"655231"	331.175176	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+3H"	3.021828
"1175544"	111.063242666667	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+3H"	3.021828
"433349"	678.369623	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+NH4"	18.033823
"799812"	1008.537523	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+NH4"	18.033823
"1696146"	348.201723	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+NH4"	18.033823
"342965"	339.6884495	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+H+NH4"	19.041099
"736116"	504.7723995	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+H+NH4"	19.041099
"1490671"	174.6044995	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H+NH4"	19.041099
"407161"	683.325018	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+Na"	22.989218
"768155"	1013.492918	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+Na"	22.989218
"1616620"	353.157118	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Na"	22.989218
"329735"	342.166147	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+H+Na"	23.996494
"717623"	507.250097	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+H+Na"	23.996494
"1465243"	177.082197	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H+Na"	23.996494
"1058133"	118.390556666667	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2H+Na"	25.00377
"1263091"	363.201386	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+CH3OH+H"	33.033486
"382759"	699.298958	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+K"	38.963158
"745943"	1029.466858	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+K"	38.963158
"1551279"	369.131058	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+K"	38.963158
"310642"	350.153117	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+H+K"	39.970434
"697594"	515.237067	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+H+K"	39.970434
"1457974"	185.069167	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H+K"	39.970434
"243296"	702.369626	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+ACN+H"	42.033826
"1218194"	372.201726	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+ACN+H"	42.033826
"1204264"	186.604501	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+ACN+2H"	43.041102
"194946"	705.30696	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+2Na-H"	44.97116
"637784"	1035.47486	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+2Na-H"	44.97116
"1141290"	375.13906	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2Na-H"	44.97116
"179116"	353.157118	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+2Na"	45.978436
"619039"	518.241068	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+2Na"	45.978436
"1130452"	188.073168	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2Na"	45.978436
"1413379"	125.717870666667	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H+2Na"	46.985712
"1444642"	377.180646	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H+HCOOH"	47.012746
"235145"	358.19014	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+3H2O+2H"	56.04448
"1523530"	391.23269	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+IsoProp+H"	61.06479
"423172"	361.144088	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+Na+K"	61.952376
"782830"	526.228038	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+Na+K"	61.952376
"1681261"	196.060138	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Na+K"	61.952376
"266293"	724.351568	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+ACN+Na"	64.015768
"1239853"	394.183668	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+ACN+Na"	64.015768
"1726553"	394.207193	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+NH4+HCOOH"	64.039293
"1193124"	133.045184666667	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+3Na"	68.967654
"1663624"	399.162588	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Na+HCOOH"	68.994688
"172510"	737.25484	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+2K-H"	76.91904
"612187"	1067.42274	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+2K-H"	76.91904
"1099698"	407.08694	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2K-H"	76.91904
"156958"	369.131058	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"2M+2K"	77.926316
"594944"	534.215008	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"3M+2K"	77.926316
"1080551"	204.047108	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2K"	77.926316
"1111571"	409.101492	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2K+H"	78.933592
"1347958"	409.189107	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+DMSO+H"	79.021207
"1015759"	413.228276	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2ACN+H"	83.060376
"1537531"	414.221908	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+IsoProp+Na+H"	84.054008
"1001423"	207.117776	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+2ACN+2H"	84.067652
"1599208"	415.136528	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+K+HCOOH"	84.968628
"1423773"	445.168038	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+H+CF3COOH"	115.000138
"1154059"	227.631051	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+3ACN+2H"	125.094202
"1707988"	462.194585	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+NH4+CF3COOH"	132.026685
"1637076"	467.14998	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+Na+CF3COOH"	136.98208
"1584758"	483.12392	"C17636"	"Schizonepetoside C"	"C16H26O7"	"330.1679"	"M+K+CF3COOH"	152.95602
"815126"	330.1679	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M"	0
"987930"	311.14951	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-H2O-H"	-19.01839
"74713"	219.104657333333	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M-3H"	-3.021828
"508806"	329.160624	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M-3H"	-3.021828
"889888"	109.048690666667	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-3H"	-3.021828
"11380"	329.160624	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M-2H"	-2.014552
"454590"	494.244574	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M-2H"	-2.014552
"828014"	164.076674	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-2H"	-2.014552
"92383"	659.328524	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M-H"	-1.007276
"531216"	989.496424	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M-H"	-1.007276
"904275"	329.160624	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-H"	-1.007276
"53182"	676.355071	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M-2H+NH4"	16.019271
"491648"	1006.522971	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M-2H+NH4"	16.019271
"876379"	346.187171	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-2H+NH4"	16.019271
"40270"	681.310466	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M-2H+Na"	20.974666
"478007"	1011.478366	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M-2H+Na"	20.974666
"853619"	351.142566	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-2H+Na"	20.974666
"1618484"	351.142566	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Na-2H"	20.974666
"94939"	347.148963	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M-H+Cl"	33.962126
"534414"	512.232913	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M-H+Cl"	33.962126
"934949"	182.065013	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-H+Cl"	33.962126
"272412"	695.305202	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+Cl"	34.969402
"661551"	1025.473102	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+Cl"	34.969402
"1275415"	365.137302	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Cl"	34.969402
"15858"	697.284406	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M-2H+K"	36.948606
"459355"	1027.452306	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M-2H+K"	36.948606
"833873"	367.116506	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-2H+K"	36.948606
"1561740"	367.116506	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+K-2H"	36.948606
"946706"	375.166094	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-H+HCOOH"	44.998194
"362738"	705.334001	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+HCOOH-H"	44.998201
"349537"	719.349651	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+Hac-H"	59.013851
"1506761"	389.181751	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Hac-H"	59.013851
"973905"	397.148051	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-H+NaCOOH"	66.980151
"119202"	365.137302	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+2Cl"	69.938804
"554388"	530.221252	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+2Cl"	69.938804
"1033759"	200.053352	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2Cl"	69.938804
"1253337"	409.086785	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Br"	78.918885
"1316515"	411.142772	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Cl+HCOOH"	80.974872
"1324898"	433.124729	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Cl+NaCOOH"	102.956829
"914135"	443.153486	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M-H+CF3COOH"	112.985586
"1297039"	479.130164	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Cl+CF3COOH"	148.962264
"1373013"	295.155224	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H-2H2O"	-35.012676
"1389416"	313.1652	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H-H2O"	-17.0027
"284363"	661.343076	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+H"	1.007276
"686992"	991.510976	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+H"	1.007276
"1366393"	331.175176	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H"	1.007276
"141110"	331.175176	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+2H"	2.014552
"580789"	496.259126	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+2H"	2.014552
"1051896"	166.091226	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2H"	2.014552
"219187"	221.119209333333	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+3H"	3.021828
"654248"	331.175176	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+3H"	3.021828
"1174561"	111.063242666667	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+3H"	3.021828
"438567"	678.369623	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+NH4"	18.033823
"800171"	1008.537523	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+NH4"	18.033823
"1695532"	348.201723	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+NH4"	18.033823
"344537"	339.6884495	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+H+NH4"	19.041099
"735861"	504.7723995	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+H+NH4"	19.041099
"1489323"	174.6044995	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H+NH4"	19.041099
"400713"	683.325018	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+Na"	22.989218
"763895"	1013.492918	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+Na"	22.989218
"1607620"	353.157118	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Na"	22.989218
"323123"	342.166147	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+H+Na"	23.996494
"717731"	507.250097	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+H+Na"	23.996494
"1467180"	177.082197	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H+Na"	23.996494
"1058239"	118.390556666667	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2H+Na"	25.00377
"1259918"	363.201386	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+CH3OH+H"	33.033486
"388338"	699.298958	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+K"	38.963158
"747146"	1029.466858	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+K"	38.963158
"1551389"	369.131058	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+K"	38.963158
"307471"	350.153117	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+H+K"	39.970434
"705724"	515.237067	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+H+K"	39.970434
"1453712"	185.069167	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H+K"	39.970434
"244501"	702.369626	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+ACN+H"	42.033826
"1217210"	372.201726	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+ACN+H"	42.033826
"1198905"	186.604501	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+ACN+2H"	43.041102
"197247"	705.30696	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+2Na-H"	44.97116
"633890"	1035.47486	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+2Na-H"	44.97116
"1141407"	375.13906	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2Na-H"	44.97116
"179230"	353.157118	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+2Na"	45.978436
"627297"	518.241068	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+2Na"	45.978436
"1131180"	188.073168	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2Na"	45.978436
"1413609"	125.717870666667	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H+2Na"	46.985712
"1444874"	377.180646	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H+HCOOH"	47.012746
"235424"	358.19014	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+3H2O+2H"	56.04448
"1524103"	391.23269	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+IsoProp+H"	61.06479
"424064"	361.144088	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+Na+K"	61.952376
"784034"	526.228038	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+Na+K"	61.952376
"1681099"	196.060138	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Na+K"	61.952376
"264333"	724.351568	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+ACN+Na"	64.015768
"1240326"	394.183668	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+ACN+Na"	64.015768
"1726297"	394.207193	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+NH4+HCOOH"	64.039293
"1194154"	133.045184666667	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+3Na"	68.967654
"1664462"	399.162588	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Na+HCOOH"	68.994688
"172659"	737.25484	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+2K-H"	76.91904
"611253"	1067.42274	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+2K-H"	76.91904
"1097830"	407.08694	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2K-H"	76.91904
"155127"	369.131058	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"2M+2K"	77.926316
"594323"	534.215008	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"3M+2K"	77.926316
"1081025"	204.047108	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2K"	77.926316
"1113504"	409.101492	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2K+H"	78.933592
"1346975"	409.189107	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+DMSO+H"	79.021207
"1017691"	413.228276	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2ACN+H"	83.060376
"1538004"	414.221908	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+IsoProp+Na+H"	84.054008
"1000439"	207.117776	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+2ACN+2H"	84.067652
"1599318"	415.136528	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+K+HCOOH"	84.968628
"1424976"	445.168038	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+H+CF3COOH"	115.000138
"1157449"	227.631051	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+3ACN+2H"	125.094202
"1702627"	462.194585	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+NH4+CF3COOH"	132.026685
"1638279"	467.14998	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+Na+CF3COOH"	136.98208
"1584868"	483.12392	"C17637"	"Schizonepetoside D"	"C16H26O7"	"330.1679"	"M+K+CF3COOH"	152.95602
"805391"	348.1784	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M"	0
"988768"	329.16001	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-H2O-H"	-19.01839
"73730"	231.111657333333	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M-3H"	-3.021828
"512196"	347.171124	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M-3H"	-3.021828
"893278"	115.052190666667	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-3H"	-3.021828
"10397"	347.171124	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M-2H"	-2.014552
"454704"	521.260324	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M-2H"	-2.014552
"830317"	173.081924	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-2H"	-2.014552
"92132"	695.349524	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M-H"	-1.007276
"533276"	1043.527924	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M-H"	-1.007276
"909978"	347.171124	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-H"	-1.007276
"60220"	712.376071	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M-2H+NH4"	16.019271
"497227"	1060.554471	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M-2H+NH4"	16.019271
"878313"	364.197671	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-2H+NH4"	16.019271
"42931"	717.331466	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M-2H+Na"	20.974666
"480303"	1065.509866	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M-2H+Na"	20.974666
"853729"	369.153066	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-2H+Na"	20.974666
"1624360"	369.153066	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Na-2H"	20.974666
"100887"	365.159463	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M-H+Cl"	33.962126
"534250"	539.248663	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M-H+Cl"	33.962126
"931779"	191.070263	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-H+Cl"	33.962126
"273617"	731.326202	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+Cl"	34.969402
"662756"	1079.504602	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+Cl"	34.969402
"1278442"	383.147802	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Cl"	34.969402
"20268"	733.305406	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M-2H+K"	36.948606
"457642"	1081.483806	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M-2H+K"	36.948606
"833861"	385.127006	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-2H+K"	36.948606
"1561849"	385.127006	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+K-2H"	36.948606
"948638"	393.176594	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-H+HCOOH"	44.998194
"364668"	741.355001	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+HCOOH-H"	44.998201
"348185"	755.370651	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+Hac-H"	59.013851
"1505047"	407.192251	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Hac-H"	59.013851
"969674"	415.158551	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-H+NaCOOH"	66.980151
"111655"	383.147802	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+2Cl"	69.938804
"557777"	557.237002	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+2Cl"	69.938804
"1026577"	209.058602	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2Cl"	69.938804
"1251622"	427.097285	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Br"	78.918885
"1310790"	429.153272	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Cl+HCOOH"	80.974872
"1325007"	451.135229	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Cl+NaCOOH"	102.956829
"914972"	461.163986	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M-H+CF3COOH"	112.985586
"1289492"	497.140664	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Cl+CF3COOH"	148.962264
"1370935"	313.165724	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H-2H2O"	-35.012676
"1386246"	331.1757	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H-H2O"	-17.0027
"284109"	697.364076	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+H"	1.007276
"676040"	1045.542476	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+H"	1.007276
"1366379"	349.185676	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H"	1.007276
"140807"	349.185676	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+2H"	2.014552
"580774"	523.274876	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+2H"	2.014552
"1052006"	175.096476	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2H"	2.014552
"218932"	233.126209333333	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+3H"	3.021828
"654358"	349.185676	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+3H"	3.021828
"1173577"	117.066742666667	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+3H"	3.021828
"436486"	714.390623	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+NH4"	18.033823
"799308"	1062.569023	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+NH4"	18.033823
"1694790"	366.212223	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+NH4"	18.033823
"343676"	357.6989495	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+H+NH4"	19.041099
"737921"	531.7881495	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+H+NH4"	19.041099
"1491498"	183.6097495	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H+NH4"	19.041099
"403010"	719.346018	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+Na"	22.989218
"764004"	1067.524418	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+Na"	22.989218
"1613196"	371.167618	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Na"	22.989218
"326512"	360.176647	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+H+Na"	23.996494
"714564"	534.265847	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+H+Na"	23.996494
"1469476"	186.087447	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H+Na"	23.996494
"1063815"	124.394056666667	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2H+Na"	25.00377
"1262215"	381.211886	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+CH3OH+H"	33.033486
"377877"	735.319958	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+K"	38.963158
"738791"	1083.498358	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+K"	38.963158
"1542751"	387.141558	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+K"	38.963158
"303207"	368.163617	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+H+K"	39.970434
"693441"	542.252817	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+H+K"	39.970434
"1447261"	194.074417	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H+K"	39.970434
"240237"	738.390626	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+ACN+H"	42.033826
"1216227"	390.212226	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+ACN+H"	42.033826
"1200108"	195.609751	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+ACN+2H"	43.041102
"196262"	741.32796	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+2Na-H"	44.97116
"635822"	1089.50636	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+2Na-H"	44.97116
"1142611"	393.14956	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2Na-H"	44.97116
"179340"	371.167618	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+2Na"	45.978436
"627532"	545.256818	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+2Na"	45.978436
"1129942"	197.078418	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2Na"	45.978436
"1412990"	131.721370666667	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H+2Na"	46.985712
"1445103"	395.191146	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H+HCOOH"	47.012746
"234802"	376.20064	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+3H2O+2H"	56.04448
"1522988"	409.24319	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+IsoProp+H"	61.06479
"423153"	379.154588	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+Na+K"	61.952376
"783780"	553.243788	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+Na+K"	61.952376
"1680724"	205.065388	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Na+K"	61.952376
"266270"	760.372568	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+ACN+Na"	64.015768
"1238610"	412.194168	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+ACN+Na"	64.015768
"1726774"	412.217693	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+NH4+HCOOH"	64.039293
"1192127"	139.048684666667	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+3Na"	68.967654
"1664206"	417.173088	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Na+HCOOH"	68.994688
"171072"	773.27584	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+2K-H"	76.91904
"611361"	1121.45424	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+2K-H"	76.91904
"1097575"	425.09744	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2K-H"	76.91904
"155118"	387.141558	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"2M+2K"	77.926316
"593340"	561.230758	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"3M+2K"	77.926316
"1077856"	213.052358	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2K"	77.926316
"1113979"	427.111992	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2K+H"	78.933592
"1347449"	427.199607	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+DMSO+H"	79.021207
"1017436"	431.238776	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2ACN+H"	83.060376
"1534832"	432.232408	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+IsoProp+Na+H"	84.054008
"999457"	216.123026	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+2ACN+2H"	84.067652
"1600156"	433.147028	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+K+HCOOH"	84.968628
"1426909"	463.178538	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+H+CF3COOH"	115.000138
"1160839"	236.636301	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+3ACN+2H"	125.094202
"1703830"	480.205085	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+NH4+CF3COOH"	132.026685
"1638389"	485.16048	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+Na+CF3COOH"	136.98208
"1584978"	501.13442	"C17638"	"Schizonepetoside E"	"C16H28O8"	"348.1784"	"M+K+CF3COOH"	152.95602
"810969"	578.1424	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M"	0
"988513"	559.12401	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-H2O-H"	-19.01839
"74933"	384.420990666667	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M-3H"	-3.021828
"516682"	577.135124	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M-3H"	-3.021828
"892294"	191.706857333333	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-3H"	-3.021828
"9775"	577.135124	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M-2H"	-2.014552
"449333"	866.206324	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M-2H"	-2.014552
"823855"	288.063924	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-2H"	-2.014552
"93092"	1155.277524	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M-H"	-1.007276
"533629"	1733.419924	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M-H"	-1.007276
"909601"	577.135124	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-H"	-1.007276
"60330"	1172.304071	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M-2H+NH4"	16.019271
"497337"	1750.446471	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M-2H+NH4"	16.019271
"877694"	594.161671	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-2H+NH4"	16.019271
"42676"	1177.259466	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M-2H+Na"	20.974666
"479319"	1755.401866	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M-2H+Na"	20.974666
"853839"	599.117066	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-2H+Na"	20.974666
"1621190"	599.117066	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Na-2H"	20.974666
"97717"	595.123463	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M-H+Cl"	33.962126
"535085"	884.194663	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M-H+Cl"	33.962126
"931889"	306.052263	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-H+Cl"	33.962126
"270445"	1191.254202	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+Cl"	34.969402
"661772"	1769.396602	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+Cl"	34.969402
"1274054"	613.111802	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Cl"	34.969402
"17215"	1193.233406	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M-2H+K"	36.948606
"457750"	1771.375806	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M-2H+K"	36.948606
"834458"	615.091006	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-2H+K"	36.948606
"1561961"	615.091006	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+K-2H"	36.948606
"946927"	623.140594	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-H+HCOOH"	44.998194
"364778"	1201.283001	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+HCOOH-H"	44.998201
"347926"	1215.298651	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+Hac-H"	59.013851
"1504063"	637.156251	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Hac-H"	59.013851
"972337"	645.122551	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-H+NaCOOH"	66.980151
"119057"	613.111802	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+2Cl"	69.938804
"560074"	902.183002	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+2Cl"	69.938804
"1029967"	324.040602	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2Cl"	69.938804
"1253558"	657.061285	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Br"	78.918885
"1318556"	659.117272	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Cl+HCOOH"	80.974872
"1325119"	681.099229	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Cl+NaCOOH"	102.956829
"917271"	691.127986	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M-H+CF3COOH"	112.985586
"1297259"	727.104664	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Cl+CF3COOH"	148.962264
"1371046"	543.129724	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H-2H2O"	-35.012676
"1386356"	561.1397	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H-H2O"	-17.0027
"293696"	1157.292076	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+H"	1.007276
"677124"	1735.434476	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+H"	1.007276
"1365385"	579.149676	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H"	1.007276
"141357"	579.149676	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+2H"	2.014552
"581001"	868.220876	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+2H"	2.014552
"1052398"	290.078476	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2H"	2.014552
"219771"	386.435542666667	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+3H"	3.021828
"657384"	579.149676	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+3H"	3.021828
"1173687"	193.721409333333	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+3H"	3.021828
"437936"	1174.318623	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+NH4"	18.033823
"800511"	1752.461023	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+NH4"	18.033823
"1696479"	596.176223	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+NH4"	18.033823
"344879"	587.6629495	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+H+NH4"	19.041099
"738028"	876.7341495	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+H+NH4"	19.041099
"1492338"	298.5917495	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H+NH4"	19.041099
"403121"	1179.274018	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+Na"	22.989218
"764115"	1757.416418	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+Na"	22.989218
"1613306"	601.131618	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Na"	22.989218
"324436"	590.140647	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+H+Na"	23.996494
"720987"	879.211847	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+H+Na"	23.996494
"1469586"	301.069447	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H+Na"	23.996494
"1061738"	201.048723333333	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2H+Na"	25.00377
"1268887"	611.175886	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+CH3OH+H"	33.033486
"377986"	1195.247958	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+K"	38.963158
"739342"	1773.390358	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+K"	38.963158
"1541766"	617.105558	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+K"	38.963158
"298941"	598.127617	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+H+K"	39.970434
"693551"	887.198817	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+H+K"	39.970434
"1448464"	309.056417	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H+K"	39.970434
"243626"	1198.318626	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+ACN+H"	42.033826
"1216337"	620.176226	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+ACN+H"	42.033826
"1200214"	310.591751	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+ACN+2H"	43.041102
"196367"	1201.25596	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+2Na-H"	44.97116
"632653"	1779.39836	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+2Na-H"	44.97116
"1142721"	623.11356	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2Na-H"	44.97116
"179450"	601.131618	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+2Na"	45.978436
"626790"	890.202818	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+2Na"	45.978436
"1128960"	312.060418	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2Na"	45.978436
"1412004"	208.376037333333	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H+2Na"	46.985712
"1445215"	625.155146	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H+HCOOH"	47.012746
"235394"	606.16464	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+3H2O+2H"	56.04448
"1523704"	639.20719	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+IsoProp+H"	61.06479
"423836"	609.118588	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+Na+K"	61.952376
"784865"	898.189788	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+Na+K"	61.952376
"1680714"	320.047388	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Na+K"	61.952376
"266502"	1220.300568	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+ACN+Na"	64.015768
"1239815"	642.158168	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+ACN+Na"	64.015768
"1728335"	642.181693	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+NH4+HCOOH"	64.039293
"1190412"	215.703351333333	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+3Na"	68.967654
"1664314"	647.137088	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Na+HCOOH"	68.994688
"171180"	1233.20384	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+2K-H"	76.91904
"611837"	1811.34624	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+2K-H"	76.91904
"1096712"	655.06144	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2K-H"	76.91904
"154985"	617.105558	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"2M+2K"	77.926316
"594543"	906.176758	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"3M+2K"	77.926316
"1080879"	328.034358	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2K"	77.926316
"1114089"	657.075992	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2K+H"	78.933592
"1346465"	657.163607	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+DMSO+H"	79.021207
"1017911"	661.202776	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2ACN+H"	83.060376
"1536400"	662.196408	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+IsoProp+Na+H"	84.054008
"997381"	331.105026	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+2ACN+2H"	84.067652
"1600997"	663.111028	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+K+HCOOH"	84.968628
"1427384"	693.142538	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+H+CF3COOH"	115.000138
"1162043"	351.618301	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+3ACN+2H"	125.094202
"1702847"	710.169085	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+NH4+CF3COOH"	132.026685
"1638499"	715.12448	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+Na+CF3COOH"	136.98208
"1585088"	731.09842	"C17639"	"Procyanidin B2;Procyanidol B2"	"C30H26O12"	"578.1424"	"M+K+CF3COOH"	152.95602
"808891"	578.1424	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M"	0
"989679"	559.12401	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-H2O-H"	-19.01839
"73950"	384.420990666667	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M-3H"	-3.021828
"515697"	577.135124	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M-3H"	-3.021828
"890217"	191.706857333333	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-3H"	-3.021828
"7698"	577.135124	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M-2H"	-2.014552
"450538"	866.206324	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M-2H"	-2.014552
"827245"	288.063924	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-2H"	-2.014552
"89423"	1155.277524	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M-H"	-1.007276
"532886"	1733.419924	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M-H"	-1.007276
"907888"	577.135124	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-H"	-1.007276
"60320"	1172.304071	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M-2H+NH4"	16.019271
"498540"	1750.446471	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M-2H+NH4"	16.019271
"877077"	594.161671	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-2H+NH4"	16.019271
"42057"	1177.259466	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M-2H+Na"	20.974666
"479429"	1755.401866	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M-2H+Na"	20.974666
"853949"	599.117066	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-2H+Na"	20.974666
"1624580"	599.117066	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Na-2H"	20.974666
"97826"	595.123463	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M-H+Cl"	33.962126
"534955"	884.194663	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M-H+Cl"	33.962126
"931999"	306.052263	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-H+Cl"	33.962126
"269462"	1191.254202	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+Cl"	34.969402
"662246"	1769.396602	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+Cl"	34.969402
"1275380"	613.111802	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Cl"	34.969402
"17690"	1193.233406	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M-2H+K"	36.948606
"457372"	1771.375806	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M-2H+K"	36.948606
"837484"	615.091006	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-2H+K"	36.948606
"1564257"	615.091006	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+K-2H"	36.948606
"947037"	623.140594	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-H+HCOOH"	44.998194
"364888"	1201.283001	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+HCOOH-H"	44.998201
"348039"	1215.298651	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+Hac-H"	59.013851
"1504173"	637.156251	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Hac-H"	59.013851
"970988"	645.122551	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-H+NaCOOH"	66.980151
"120625"	613.111802	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+2Cl"	69.938804
"562009"	902.183002	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+2Cl"	69.938804
"1028984"	324.040602	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2Cl"	69.938804
"1253668"	657.061285	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Br"	78.918885
"1316116"	659.117272	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Cl+HCOOH"	80.974872
"1321948"	681.099229	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Cl+NaCOOH"	102.956829
"912032"	691.127986	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M-H+CF3COOH"	112.985586
"1292995"	727.104664	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Cl+CF3COOH"	148.962264
"1371156"	543.129724	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H-2H2O"	-35.012676
"1386466"	561.1397	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H-H2O"	-17.0027
"285057"	1157.292076	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+H"	1.007276
"677108"	1735.434476	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+H"	1.007276
"1364767"	579.149676	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H"	1.007276
"141268"	579.149676	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+2H"	2.014552
"577581"	868.220876	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+2H"	2.014552
"1050396"	290.078476	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2H"	2.014552
"215018"	386.435542666667	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+3H"	3.021828
"657494"	579.149676	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+3H"	3.021828
"1172703"	193.721409333333	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+3H"	3.021828
"437070"	1174.318623	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+NH4"	18.033823
"801231"	1752.461023	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+NH4"	18.033823
"1696791"	596.176223	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+NH4"	18.033823
"339395"	587.6629495	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+H+NH4"	19.041099
"736190"	876.7341495	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+H+NH4"	19.041099
"1492513"	298.5917495	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H+NH4"	19.041099
"405417"	1179.274018	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+Na"	22.989218
"764224"	1757.416418	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+Na"	22.989218
"1613415"	601.131618	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Na"	22.989218
"325639"	590.140647	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+H+Na"	23.996494
"720246"	879.211847	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+H+Na"	23.996494
"1470789"	301.069447	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H+Na"	23.996494
"1062941"	201.048723333333	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2H+Na"	25.00377
"1270090"	611.175886	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+CH3OH+H"	33.033486
"379919"	1195.247958	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+K"	38.963158
"740546"	1773.390358	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+K"	38.963158
"1542241"	617.105558	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+K"	38.963158
"298764"	598.127617	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+H+K"	39.970434
"696942"	887.198817	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+H+K"	39.970434
"1449667"	309.056417	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H+K"	39.970434
"242642"	1198.318626	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+ACN+H"	42.033826
"1217537"	620.176226	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+ACN+H"	42.033826
"1201421"	310.591751	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+ACN+2H"	43.041102
"199756"	1201.25596	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+2Na-H"	44.97116
"636038"	1779.39836	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+2Na-H"	44.97116
"1138452"	623.11356	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2Na-H"	44.97116
"181739"	601.131618	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+2Na"	45.978436
"617297"	890.202818	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+2Na"	45.978436
"1130699"	312.060418	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2Na"	45.978436
"1412843"	208.376037333333	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H+2Na"	46.985712
"1444722"	625.155146	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H+HCOOH"	47.012746
"235020"	606.16464	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+3H2O+2H"	56.04448
"1523451"	639.20719	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+IsoProp+H"	61.06479
"423003"	609.118588	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+Na+K"	61.952376
"785180"	898.189788	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+Na+K"	61.952376
"1680459"	320.047388	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Na+K"	61.952376
"266125"	1220.300568	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+ACN+Na"	64.015768
"1240863"	642.158168	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+ACN+Na"	64.015768
"1726630"	642.181693	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+NH4+HCOOH"	64.039293
"1191617"	215.703351333333	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+3Na"	68.967654
"1663332"	647.137088	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Na+HCOOH"	68.994688
"169468"	1233.20384	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+2K-H"	76.91904
"610731"	1811.34624	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+2K-H"	76.91904
"1098160"	655.06144	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2K-H"	76.91904
"154368"	617.105558	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"2M+2K"	77.926316
"594653"	906.176758	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"3M+2K"	77.926316
"1082448"	328.034358	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2K"	77.926316
"1113835"	657.075992	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2K+H"	78.933592
"1348398"	657.163607	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+DMSO+H"	79.021207
"1018021"	661.202776	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2ACN+H"	83.060376
"1535417"	662.196408	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+IsoProp+Na+H"	84.054008
"1002958"	331.105026	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+2ACN+2H"	84.067652
"1600743"	663.111028	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+K+HCOOH"	84.968628
"1426399"	693.142538	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+H+CF3COOH"	115.000138
"1161060"	351.618301	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+3ACN+2H"	125.094202
"1700770"	710.169085	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+NH4+CF3COOH"	132.026685
"1637516"	715.12448	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+Na+CF3COOH"	136.98208
"1585198"	731.09842	"C17640"	"Procyanidin B5;Procyanidol B5"	"C30H26O12"	"578.1424"	"M+K+CF3COOH"	152.95602
"805721"	382.1992	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M"	0
"988978"	363.18081	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-H2O-H"	-19.01839
"74060"	253.792190666667	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M-3H"	-3.021828
"514714"	381.191924	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M-3H"	-3.021828
"890327"	126.392457333333	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-3H"	-3.021828
"7808"	381.191924	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M-2H"	-2.014552
"452834"	572.291524	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M-2H"	-2.014552
"828448"	190.092324	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-2H"	-2.014552
"89533"	763.391124	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M-H"	-1.007276
"526907"	1145.590324	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M-H"	-1.007276
"907634"	381.191924	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-H"	-1.007276
"59822"	780.417671	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M-2H+NH4"	16.019271
"499743"	1162.616871	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M-2H+NH4"	16.019271
"878524"	398.218471	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-2H+NH4"	16.019271
"42167"	785.373066	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M-2H+Na"	20.974666
"479539"	1167.572266	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M-2H+Na"	20.974666
"852965"	403.173866	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-2H+Na"	20.974666
"1625783"	403.173866	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Na-2H"	20.974666
"96843"	399.180263	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M-H+Cl"	33.962126
"535188"	590.279863	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M-H+Cl"	33.962126
"934295"	208.080663	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-H+Cl"	33.962126
"271758"	799.367802	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+Cl"	34.969402
"663085"	1181.567002	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+Cl"	34.969402
"1275487"	417.168602	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Cl"	34.969402
"22416"	801.347006	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M-2H+K"	36.948606
"457968"	1183.546206	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M-2H+K"	36.948606
"834065"	419.147806	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-2H+K"	36.948606
"1563274"	419.147806	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+K-2H"	36.948606
"945688"	427.197394	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-H+HCOOH"	44.998194
"364269"	809.396601	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+HCOOH-H"	44.998201
"347785"	823.412251	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+Hac-H"	59.013851
"1502096"	441.213051	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Hac-H"	59.013851
"970368"	449.179351	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-H+NaCOOH"	66.980151
"119642"	417.168602	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+2Cl"	69.938804
"561026"	608.268202	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+2Cl"	69.938804
"1030187"	226.069002	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2Cl"	69.938804
"1253414"	461.118085	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Br"	78.918885
"1314403"	463.174072	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Cl+HCOOH"	80.974872
"1322058"	485.156029	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Cl+NaCOOH"	102.956829
"911816"	495.184786	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M-H+CF3COOH"	112.985586
"1294198"	531.161464	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Cl+CF3COOH"	148.962264
"1369443"	347.186524	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H-2H2O"	-35.012676
"1386575"	365.1965	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H-H2O"	-17.0027
"284560"	765.405676	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+H"	1.007276
"677581"	1147.604876	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+H"	1.007276
"1358315"	383.206476	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H"	1.007276
"137767"	383.206476	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+2H"	2.014552
"578055"	574.306076	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+2H"	2.014552
"1048315"	192.106876	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2H"	2.014552
"214764"	255.806742666667	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+3H"	3.021828
"656875"	383.206476	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+3H"	3.021828
"1172811"	128.407009333333	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+3H"	3.021828
"434994"	782.432223	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+NH4"	18.033823
"795991"	1164.631423	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+NH4"	18.033823
"1691226"	400.233023	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+NH4"	18.033823
"339505"	391.7197495	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+H+NH4"	19.041099
"735207"	582.8193495	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+H+NH4"	19.041099
"1489030"	200.6201495	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H+NH4"	19.041099
"397872"	787.387618	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+Na"	22.989218
"762147"	1169.586818	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+Na"	22.989218
"1610246"	405.188418	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Na"	22.989218
"324655"	394.197447	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+H+Na"	23.996494
"719262"	585.297047	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+H+Na"	23.996494
"1469805"	203.097847	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H+Na"	23.996494
"1061958"	135.734323333333	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2H+Na"	25.00377
"1265824"	415.232686	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+CH3OH+H"	33.033486
"378691"	803.361558	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+K"	38.963158
"740293"	1185.560758	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+K"	38.963158
"1540888"	421.162358	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+K"	38.963158
"299154"	402.184417	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+H+K"	39.970434
"691861"	593.284017	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+H+K"	39.970434
"1448682"	211.084817	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H+K"	39.970434
"240565"	806.432226	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+ACN+H"	42.033826
"1213275"	424.233026	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+ACN+H"	42.033826
"1201528"	212.620151	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+ACN+2H"	43.041102
"195492"	809.36956	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+2Na-H"	44.97116
"635055"	1191.56876	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+2Na-H"	44.97116
"1135281"	427.17036	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2Na-H"	44.97116
"181851"	405.188418	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+2Na"	45.978436
"622505"	596.288018	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+2Na"	45.978436
"1117632"	214.088818	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2Na"	45.978436
"1412706"	143.061637333333	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H+2Na"	46.985712
"1445395"	429.211946	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H+HCOOH"	47.012746
"235493"	410.22144	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+3H2O+2H"	56.04448
"1523558"	443.26399	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+IsoProp+H"	61.06479
"422383"	413.175388	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+Na+K"	61.952376
"785323"	604.274988	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+Na+K"	61.952376
"1680570"	222.075788	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Na+K"	61.952376
"266767"	828.414168	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+ACN+Na"	64.015768
"1239305"	446.214968	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+ACN+Na"	64.015768
"1727467"	446.238493	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+NH4+HCOOH"	64.039293
"1191726"	150.388951333333	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+3Na"	68.967654
"1664172"	451.193888	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Na+HCOOH"	68.994688
"169940"	841.31744	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+2K-H"	76.91904
"610960"	1223.51664	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+2K-H"	76.91904
"1098267"	459.11824	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2K-H"	76.91904
"155084"	421.162358	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"2M+2K"	77.926316
"594763"	612.261958	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"3M+2K"	77.926316
"1081100"	230.062758	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2K"	77.926316
"1112851"	461.132792	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2K+H"	78.933592
"1345592"	461.220407	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+DMSO+H"	79.021207
"1016309"	465.259576	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2ACN+H"	83.060376
"1534435"	466.253208	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+IsoProp+Na+H"	84.054008
"1001975"	233.133426	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+2ACN+2H"	84.067652
"1600852"	467.167828	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+K+HCOOH"	84.968628
"1425416"	497.199338	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+H+CF3COOH"	115.000138
"1160076"	253.646701	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+3ACN+2H"	125.094202
"1700880"	514.225885	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+NH4+CF3COOH"	132.026685
"1637626"	519.18128	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+Na+CF3COOH"	136.98208
"1585308"	535.15522	"C17641"	"Cinncassiol C3"	"C20H30O7"	"382.1992"	"M+K+CF3COOH"	152.95602
"808018"	364.1886	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M"	0
"989658"	345.17021	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"78564"	241.785124	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"517013"	363.181324	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"890437"	120.388924	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"10105"	363.181324	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"452944"	545.275624	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"827465"	181.087024	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"88547"	727.369924	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"523738"	1091.558524	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"908107"	363.181324	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"59567"	744.396471	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"498760"	1108.585071	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"878389"	380.207871	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"43371"	749.351866	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"479649"	1113.540466	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"851982"	385.163266	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1624800"	385.163266	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"95494"	381.169663	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"534403"	563.263963	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"932218"	199.075363	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"271868"	763.346602	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"662466"	1127.535202	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1275597"	399.158002	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"24713"	765.325806	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"456985"	1129.514406	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"834784"	401.137206	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1563385"	401.137206	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"947621"	409.186794	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"366203"	773.375401	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"348991"	787.391051	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1505486"	423.202451	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"971939"	431.168751	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"124128"	399.158002	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"563323"	581.252302	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1032120"	217.063702	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1255710"	443.107485	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1316700"	445.163472	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1327635"	467.145429	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"914320"	477.174186	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1291028"	513.150864	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1371376"	329.175924	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1384862"	347.1859	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"285642"	729.384476	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"676721"	1093.573076	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1358425"	365.195876	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"137513"	365.195876	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"577801"	547.290176	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1052197"	183.101576	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"217420"	243.799676	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"659893"	365.195876	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1174014"	122.403476	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"438631"	746.411023	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"800965"	1110.599623	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1693522"	382.222423	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"341801"	373.7091495	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"737139"	555.8034495	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1490234"	191.6148495	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"404544"	751.366418	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"762259"	1115.555018	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1611451"	387.177818	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"324765"	376.186847	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"718280"	558.281147	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1467730"	194.092547	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1063161"	129.73079	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1269214"	397.222086	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"382326"	767.340358	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"741496"	1131.528958	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1543552"	403.151758	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"301091"	384.173817	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"692538"	566.268117	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1449884"	202.079517	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"241767"	770.411026	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1213384"	406.222426	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1201638"	203.614851	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"194510"	773.34836	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"634069"	1137.53696	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1140855"	409.15976	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"180864"	387.177818	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"619697"	569.272118	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1119928"	205.083518	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1413305"	137.058104	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1445427"	411.201346	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"235631"	392.21084	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1523920"	425.25339	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"423971"	395.164788	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"785614"	577.259088	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1678726"	213.070488	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"266464"	792.392968	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1238688"	428.204368	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1726480"	428.227893	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1191473"	144.385418	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1662458"	433.183288	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"170414"	805.29624	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"608517"	1169.48484	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1098135"	441.10764	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"152764"	403.151758	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"596459"	585.246058	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1080117"	221.057458	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1115033"	443.122192	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1343514"	443.209807	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1019335"	447.248976	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1531262"	448.242608	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"1002085"	224.128126	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1595495"	449.157228	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1426618"	479.188738	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1156907"	244.641401	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1705367"	496.215285	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1638831"	501.17068	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1585418"	517.14462	"C17642"	"Cinncassiol C2"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"805941"	380.1835	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M"	0
"988224"	361.16511	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-H2O-H"	-19.01839
"75372"	252.448390666667	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M-3H"	-3.021828
"514935"	379.176224	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M-3H"	-3.021828
"887268"	125.720557333333	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-3H"	-3.021828
"8028"	379.176224	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M-2H"	-2.014552
"447587"	569.267974	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M-2H"	-2.014552
"825388"	189.084474	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-2H"	-2.014552
"87564"	759.359724	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M-H"	-1.007276
"524942"	1139.543224	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M-H"	-1.007276
"902750"	379.176224	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-H"	-1.007276
"58947"	776.386271	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M-2H+NH4"	16.019271
"494496"	1156.569771	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M-2H+NH4"	16.019271
"876312"	396.202771	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-2H+NH4"	16.019271
"42023"	781.341666	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M-2H+Na"	20.974666
"479759"	1161.525166	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M-2H+Na"	20.974666
"850269"	401.158166	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-2H+Na"	20.974666
"1623816"	401.158166	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Na-2H"	20.974666
"101437"	397.164563	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M-H+Cl"	33.962126
"535531"	587.256313	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M-H+Cl"	33.962126
"930506"	207.072813	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-H+Cl"	33.962126
"267214"	795.336402	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+Cl"	34.969402
"660549"	1175.519902	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+Cl"	34.969402
"1272891"	415.152902	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Cl"	34.969402
"19356"	797.315606	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M-2H+K"	36.948606
"455705"	1177.499106	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M-2H+K"	36.948606
"833023"	417.132106	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-2H+K"	36.948606
"1555606"	417.132106	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+K-2H"	36.948606
"949190"	425.181694	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-H+HCOOH"	44.998194
"366314"	805.365201	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+HCOOH-H"	44.998201
"349465"	819.380851	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+Hac-H"	59.013851
"1506691"	439.197351	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Hac-H"	59.013851
"970953"	447.163651	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-H+NaCOOH"	66.980151
"122778"	415.152902	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+2Cl"	69.938804
"561609"	605.244652	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+2Cl"	69.938804
"1028221"	225.061152	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2Cl"	69.938804
"1252904"	459.102385	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Br"	78.918885
"1314623"	461.158372	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Cl+HCOOH"	80.974872
"1325559"	483.140329	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Cl+NaCOOH"	102.956829
"914430"	493.169086	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M-H+CF3COOH"	112.985586
"1291138"	529.145764	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Cl+CF3COOH"	148.962264
"1370392"	345.170824	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H-2H2O"	-35.012676
"1386065"	363.1808	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H-H2O"	-17.0027
"285022"	761.374276	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+H"	1.007276
"676834"	1141.557776	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+H"	1.007276
"1360721"	381.190776	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H"	1.007276
"136894"	381.190776	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+2H"	2.014552
"576453"	571.282526	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+2H"	2.014552
"1047442"	191.099026	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2H"	2.014552
"217895"	254.462942666667	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+3H"	3.021828
"653809"	381.190776	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+3H"	3.021828
"1174124"	127.735109333333	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+3H"	3.021828
"439349"	778.400823	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+NH4"	18.033823
"800098"	1158.584323	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+NH4"	18.033823
"1693632"	398.217323	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+NH4"	18.033823
"344098"	389.7040495	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+H+NH4"	19.041099
"736519"	579.7957995	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+H+NH4"	19.041099
"1490715"	199.6122995	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H+NH4"	19.041099
"403561"	783.356218	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+Na"	22.989218
"764555"	1163.539718	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+Na"	22.989218
"1611561"	403.172718	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Na"	22.989218
"323781"	392.181747	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+H+Na"	23.996494
"719119"	582.273497	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+H+Na"	23.996494
"1466747"	202.089997	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H+Na"	23.996494
"1061085"	135.062423333333	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2H+Na"	25.00377
"1268960"	413.216986	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+CH3OH+H"	33.033486
"383530"	799.330158	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+K"	38.963158
"738648"	1179.513658	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+K"	38.963158
"1540175"	419.146658	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+K"	38.963158
"299053"	400.168717	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+H+K"	39.970434
"692892"	590.260467	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+H+K"	39.970434
"1446226"	210.076967	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H+K"	39.970434
"239690"	802.400826	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+ACN+H"	42.033826
"1218959"	422.217326	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+ACN+H"	42.033826
"1199561"	211.612301	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+ACN+2H"	43.041102
"192435"	805.33816	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+2Na-H"	44.97116
"631265"	1185.52166	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+2Na-H"	44.97116
"1134770"	425.15466	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2Na-H"	44.97116
"173692"	403.172718	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+2Na"	45.978436
"613981"	593.264468	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+2Na"	45.978436
"1119674"	213.080968	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2Na"	45.978436
"1409767"	142.389737333333	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H+2Na"	46.985712
"1441881"	427.196246	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H+HCOOH"	47.012746
"227204"	408.20574	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+3H2O+2H"	56.04448
"1523935"	441.24829	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+IsoProp+H"	61.06479
"423988"	411.159688	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+Na+K"	61.952376
"785507"	601.251438	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+Na+K"	61.952376
"1678838"	221.067938	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Na+K"	61.952376
"262808"	824.382768	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+ACN+Na"	64.015768
"1239526"	444.199268	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+ACN+Na"	64.015768
"1725132"	444.222793	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+NH4+HCOOH"	64.039293
"1190853"	149.717051333333	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+3Na"	68.967654
"1663299"	449.178188	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Na+HCOOH"	68.994688
"169799"	837.28604	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+2K-H"	76.91904
"610450"	1217.46954	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+2K-H"	76.91904
"1098246"	457.10254	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2K-H"	76.91904
"154698"	419.146658	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"2M+2K"	77.926316
"590613"	609.238408	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"3M+2K"	77.926316
"1081685"	229.054908	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2K"	77.926316
"1115511"	459.117092	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2K+H"	78.933592
"1342532"	459.204707	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+DMSO+H"	79.021207
"1019811"	463.243876	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2ACN+H"	83.060376
"1529187"	464.237508	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+IsoProp+Na+H"	84.054008
"998914"	232.125576	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+2ACN+2H"	84.067652
"1592322"	465.152128	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+K+HCOOH"	84.968628
"1422357"	495.183638	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+H+CF3COOH"	115.000138
"1152645"	252.638851	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+3ACN+2H"	125.094202
"1705479"	512.210185	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+NH4+CF3COOH"	132.026685
"1638942"	517.16558	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+Na+CF3COOH"	136.98208
"1585528"	533.13952	"C17643"	"Cinncassiol C1"	"C20H28O7"	"380.1835"	"M+K+CF3COOH"	152.95602
"806051"	408.2876	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M"	0
"979583"	389.26921	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"75482"	271.184457333333	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"513952"	407.280324	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"888471"	135.088590666667	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"10325"	407.280324	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"450976"	611.424124	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"826590"	203.136524	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"85487"	815.567924	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"527238"	1223.855524	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"902860"	407.280324	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"57234"	832.594471	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"495700"	1240.882071	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"876058"	424.306871	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"43591"	837.549866	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"479869"	1245.837466	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"849325"	429.262266	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1627206"	429.262266	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"101547"	425.268663	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"534869"	629.412463	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"932803"	221.124863	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"267502"	851.544602	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"660740"	1259.832202	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1273500"	443.257002	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"17642"	853.523806	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"455820"	1261.811406	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"833658"	445.236206	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1555770"	445.236206	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"949664"	453.285794	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"367150"	861.573401	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"351032"	875.589051	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1504613"	467.301451	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"972157"	475.267751	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"123255"	443.257002	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"564273"	647.400802	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1031611"	239.113202	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1256781"	487.206485	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1318012"	489.262472	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1331136"	511.244429	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"920007"	521.273186	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1294528"	557.249864	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1370866"	373.274924	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1386175"	391.2849	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"286954"	817.582476	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"679739"	1225.870076	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1359738"	409.294876	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"137004"	409.294876	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"575470"	613.438676	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1044271"	205.151076	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"211079"	273.199009333333	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"650636"	409.294876	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1168766"	137.103142666667	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"437513"	834.609023	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"800208"	1242.896623	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1692649"	426.321423	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"342020"	417.8081495	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"734440"	621.9519495	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1491915"	213.6643495	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"402576"	839.564418	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"765393"	1247.852018	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1612763"	431.276818	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"323891"	420.285847	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"715219"	624.429647	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1470138"	216.142047	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1060102"	144.430456666667	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1267247"	441.321086	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"384733"	855.538358	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"738807"	1263.825958	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1541587"	447.250758	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"303502"	428.272817	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"695194"	632.416617	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1451567"	224.129017	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"239801"	858.609026	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1215790"	450.321426	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1200770"	225.664351	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"194735"	861.54636	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"632470"	1269.83396	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1136703"	453.25876	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"175624"	431.276818	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"615184"	635.420618	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1124159"	227.133018	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1410974"	151.757770666667	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1441995"	455.300346	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"228773"	436.30984	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1520480"	469.35239	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"420533"	439.263788	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"784080"	643.407588	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1676400"	235.119988	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"264745"	880.590968	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1237819"	472.303368	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1724881"	472.326893	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1192059"	159.085084666667	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1662683"	477.282288	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"170637"	893.49424	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"610926"	1301.78184	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1099084"	485.20664	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"154806"	447.250758	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"591817"	651.394558	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1081920"	243.106958	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1114523"	487.221192	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1345922"	487.308807	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1019194"	491.347976	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1531485"	492.341608	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"995745"	246.177626	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1595712"	493.256228	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1422467"	523.287738	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1152755"	266.690901	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1705589"	540.314285	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1639052"	545.26968	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1585638"	561.24362	"C17644"	"Ursocholate;Ursocholic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholan-24-oic acid;3alpha7beta12alpha-Trihydroxy-5beta-cholanic acid;7beta-Hydroxyisocholic acid;7-Epicholic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"807254"	382.1992	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M"	0
"979693"	363.18081	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-H2O-H"	-19.01839
"69030"	253.792190666667	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M-3H"	-3.021828
"516247"	381.191924	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M-3H"	-3.021828
"884206"	126.392457333333	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-3H"	-3.021828
"8247"	381.191924	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M-2H"	-2.014552
"445619"	572.291524	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M-2H"	-2.014552
"823420"	190.092324	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-2H"	-2.014552
"82317"	763.391124	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M-H"	-1.007276
"527350"	1145.590324	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M-H"	-1.007276
"905156"	381.191924	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-H"	-1.007276
"55155"	780.417671	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M-2H+NH4"	16.019271
"495808"	1162.616871	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M-2H+NH4"	16.019271
"874706"	398.218471	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-2H+NH4"	16.019271
"43336"	785.373066	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M-2H+Na"	20.974666
"481073"	1167.572266	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M-2H+Na"	20.974666
"857780"	403.173866	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-2H+Na"	20.974666
"1625130"	403.173866	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Na-2H"	20.974666
"97284"	399.180263	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M-H+Cl"	33.962126
"535751"	590.279863	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M-H+Cl"	33.962126
"935830"	208.080663	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-H+Cl"	33.962126
"272198"	799.367802	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+Cl"	34.969402
"661823"	1181.567002	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+Cl"	34.969402
"1273491"	417.168602	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Cl"	34.969402
"15839"	801.347006	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M-2H+K"	36.948606
"455904"	1183.546206	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M-2H+K"	36.948606
"833409"	419.147806	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-2H+K"	36.948606
"1556051"	419.147806	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+K-2H"	36.948606
"949412"	427.197394	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-H+HCOOH"	44.998194
"368719"	809.396601	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+HCOOH-H"	44.998201
"351142"	823.412251	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+Hac-H"	59.013851
"1505451"	441.213051	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Hac-H"	59.013851
"971905"	449.179351	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-H+NaCOOH"	66.980151
"123729"	417.168602	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+2Cl"	69.938804
"562927"	608.268202	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+2Cl"	69.938804
"1036097"	226.069002	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2Cl"	69.938804
"1256404"	461.118085	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Br"	78.918885
"1315935"	463.174072	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Cl+HCOOH"	80.974872
"1332339"	485.156029	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Cl+NaCOOH"	102.956829
"921211"	495.184786	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M-H+CF3COOH"	112.985586
"1302293"	531.161464	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Cl+CF3COOH"	148.962264
"1374987"	347.186524	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H-2H2O"	-35.012676
"1389203"	365.1965	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H-H2O"	-17.0027
"287066"	765.405676	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+H"	1.007276
"682402"	1147.604876	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+H"	1.007276
"1354376"	383.206476	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H"	1.007276
"137114"	383.206476	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+2H"	2.014552
"577768"	574.306076	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+2H"	2.014552
"1041465"	192.106876	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2H"	2.014552
"210460"	255.806742666667	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+3H"	3.021828
"650746"	383.206476	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+3H"	3.021828
"1168511"	128.407009333333	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+3H"	3.021828
"435437"	782.432223	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+NH4"	18.033823
"797889"	1164.631423	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+NH4"	18.033823
"1692760"	400.233023	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+NH4"	18.033823
"342133"	391.7197495	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+H+NH4"	19.041099
"734186"	582.8193495	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+H+NH4"	19.041099
"1490565"	200.6201495	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H+NH4"	19.041099
"397215"	787.387618	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+Na"	22.989218
"758212"	1169.586818	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+Na"	22.989218
"1607404"	405.188418	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Na"	22.989218
"318534"	394.197447	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+H+Na"	23.996494
"710955"	585.297047	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+H+Na"	23.996494
"1471341"	203.097847	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H+Na"	23.996494
"1062399"	135.734323333333	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2H+Na"	25.00377
"1268450"	415.232686	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+CH3OH+H"	33.033486
"387393"	803.361558	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+K"	38.963158
"740006"	1185.560758	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+K"	38.963158
"1542788"	421.162358	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+K"	38.963158
"303974"	402.184417	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+H+K"	39.970434
"694938"	593.284017	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+H+K"	39.970434
"1451675"	211.084817	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H+K"	39.970434
"239185"	806.432226	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+ACN+H"	42.033826
"1216996"	424.233026	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+ACN+H"	42.033826
"1198693"	212.620151	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+ACN+2H"	43.041102
"197033"	809.36956	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+2Na-H"	44.97116
"635501"	1191.56876	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+2Na-H"	44.97116
"1135721"	427.17036	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2Na-H"	44.97116
"175369"	405.188418	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+2Na"	45.978436
"615294"	596.288018	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+2Na"	45.978436
"1127549"	214.088818	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2Na"	45.978436
"1412175"	143.061637333333	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H+2Na"	46.985712
"1442834"	429.211946	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H+HCOOH"	47.012746
"232529"	410.22144	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+3H2O+2H"	56.04448
"1520955"	443.26399	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+IsoProp+H"	61.06479
"421736"	413.175388	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+Na+K"	61.952376
"782732"	604.274988	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+Na+K"	61.952376
"1679794"	222.075788	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Na+K"	61.952376
"265221"	828.414168	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+ACN+Na"	64.015768
"1238295"	446.214968	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+ACN+Na"	64.015768
"1723535"	446.238493	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+NH4+HCOOH"	64.039293
"1190348"	150.388951333333	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+3Na"	68.967654
"1662793"	451.193888	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Na+HCOOH"	68.994688
"171357"	841.31744	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+2K-H"	76.91904
"609578"	1223.51664	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+2K-H"	76.91904
"1097006"	459.11824	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2K-H"	76.91904
"155649"	421.162358	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"2M+2K"	77.926316
"595818"	612.261958	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"3M+2K"	77.926316
"1080814"	230.062758	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2K"	77.926316
"1106367"	461.132792	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2K+H"	78.933592
"1341658"	461.220407	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+DMSO+H"	79.021207
"1011280"	465.259576	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2ACN+H"	83.060376
"1531595"	466.253208	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+IsoProp+Na+H"	84.054008
"993666"	233.133426	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+2ACN+2H"	84.067652
"1593637"	467.167828	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+K+HCOOH"	84.968628
"1417110"	497.199338	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+H+CF3COOH"	115.000138
"1152865"	253.646701	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+3ACN+2H"	125.094202
"1707886"	514.225885	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+NH4+CF3COOH"	132.026685
"1639162"	519.18128	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+Na+CF3COOH"	136.98208
"1585748"	535.15522	"C17645"	"Cinncassiol A"	"C20H30O7"	"382.1992"	"M+K+CF3COOH"	152.95602
"806271"	392.2927	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M"	0
"979803"	373.27431	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"69140"	260.521190666667	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"507606"	391.285424	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"887596"	129.756957333333	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"8357"	391.285424	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"445729"	587.431774	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"822436"	195.139074	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"78780"	783.578124	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"528551"	1175.870824	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"905260"	391.285424	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"58545"	800.604671	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"495918"	1192.897371	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"877732"	408.311971	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"44903"	805.560066	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"482276"	1197.852766	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"857890"	413.267366	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1625236"	413.267366	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"98487"	409.273763	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"539141"	605.420113	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"938126"	213.127413	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"272308"	819.554802	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"661446"	1211.847502	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1273398"	427.262102	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"15830"	821.534006	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"456117"	1213.826706	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"833232"	429.241306	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1556081"	429.241306	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"951708"	437.290894	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"368829"	829.583601	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"350525"	843.599251	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1505561"	451.306551	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"973108"	459.272851	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"121285"	427.262102	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"564492"	623.408452	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1031831"	231.115752	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1253232"	471.211585	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1315681"	473.267572	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1334515"	495.249529	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"922414"	505.278286	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1301310"	541.254964	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1378377"	357.280024	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1389313"	375.29	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"286812"	785.592676	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"685792"	1177.885376	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1356673"	393.299976	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"136130"	393.299976	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"576782"	589.446326	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1042667"	197.153626	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"209475"	262.535742666667	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"649764"	393.299976	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1169350"	131.771509333333	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"435539"	802.619223	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"791429"	1194.911923	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1693964"	410.326523	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"343337"	401.8132495	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"733932"	597.9595995	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1489580"	205.6668995	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"397324"	807.574618	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"760508"	1199.867318	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1608607"	415.281918	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"318644"	404.290947	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"711063"	600.437297	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1474732"	208.144597	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1064695"	139.098823333333	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1267466"	425.326186	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"389327"	823.548558	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"740845"	1215.841258	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1541805"	431.255858	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"305178"	412.277917	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"703066"	608.424267	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1454701"	216.131567	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"242210"	826.619226	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1220386"	434.326526	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1203176"	217.666901	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"200059"	829.55656	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"634883"	1221.84926	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1138019"	437.26386	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"181310"	415.281918	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"617955"	611.428268	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1127659"	219.135568	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1410098"	146.426137333333	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1441486"	439.305446	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"230815"	420.31494	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1518877"	453.35749	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"417108"	423.268888	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"781743"	619.415238	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1676619"	227.122538	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"262416"	848.601168	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1238404"	456.308468	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1724009"	456.331993	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1189365"	153.753451333333	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1663997"	461.287388	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"172074"	861.50444	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"610417"	1253.79714	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1094564"	469.21174	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"155026"	431.255858	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"594832"	627.402208	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1081653"	235.109508	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1106478"	471.226292	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1342861"	471.313907	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1012483"	475.353076	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1534986"	476.346708	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"995963"	238.180176	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1595934"	477.261328	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1421594"	507.292838	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1152975"	258.693451	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1707996"	524.319385	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1639272"	529.27478	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1585858"	545.24872	"C17646"	"12-Epideoxycholic acid;12-Epideoxycholate"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"806381"	408.2876	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M"	0
"983194"	389.26921	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"69250"	271.184457333333	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"509903"	407.280324	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"887706"	135.088590666667	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"5187"	407.280324	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"444745"	611.424124	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"822546"	203.136524	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"78620"	815.567924	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"525382"	1223.855524	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"903182"	407.280324	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"58655"	832.594471	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"496757"	1240.882071	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"877842"	424.306871	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"43920"	837.549866	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"479106"	1245.837466	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"858000"	429.262266	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1625346"	429.262266	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"94582"	425.268663	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"539251"	629.412463	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"930581"	221.124863	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"267224"	851.544602	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"660126"	1259.832202	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1272778"	443.257002	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"15753"	853.523806	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"455793"	1261.811406	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"833004"	445.236206	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1555697"	445.236206	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"952911"	453.285794	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"370034"	861.573401	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"351729"	875.589051	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1505671"	467.301451	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"973461"	475.267751	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"121395"	443.257002	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"563142"	647.400802	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1035100"	239.113202	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1255529"	487.206485	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1319560"	489.262472	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1334746"	511.244429	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"924712"	521.273186	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1299232"	557.249864	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1378487"	373.274924	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1389423"	391.2849	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"290202"	817.582476	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"685902"	1225.870076	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1354596"	409.294876	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"137334"	409.294876	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"577985"	613.438676	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1043507"	205.151076	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"212501"	273.199009333333	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"651332"	409.294876	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1173470"	137.103142666667	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"432370"	834.609023	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"791539"	1242.896623	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1692980"	426.321423	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"340164"	417.8081495	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"732584"	621.9519495	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1488596"	213.6643495	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"395613"	839.564418	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"758431"	1247.852018	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1607623"	431.276818	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"318753"	420.285847	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"708988"	624.429647	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1473748"	216.142047	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1061525"	144.430456666667	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1264296"	441.321086	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"388343"	855.538358	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"739860"	1263.825958	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1543008"	447.250758	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"300913"	428.272817	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"699895"	632.416617	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1455903"	224.129017	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"243413"	858.609026	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1218309"	450.321426	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1208512"	225.664351	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"198345"	861.54636	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"634626"	1269.83396	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1135943"	453.25876	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"180327"	431.276818	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"617701"	635.420618	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1124489"	227.133018	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1411664"	151.757770666667	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1441959"	455.300346	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"228737"	436.30984	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1517892"	469.35239	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"418311"	439.263788	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"781853"	643.407588	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1674905"	235.119988	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"265439"	880.590968	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1237787"	472.303368	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1721932"	472.326893	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1191662"	159.085084666667	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1662649"	477.282288	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"170969"	893.49424	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"610162"	1301.78184	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1095402"	485.20664	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"156230"	447.250758	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"593972"	651.394558	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1081033"	243.106958	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1108775"	487.221192	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1341878"	487.308807	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1008219"	491.347976	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1534003"	492.341608	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"992793"	246.177626	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1591670"	493.256228	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1417330"	523.287738	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1153086"	266.690901	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1703732"	540.314285	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1639382"	545.26968	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1585968"	561.24362	"C17647"	"alpha-Muricholate;alpha-Muricholic acid;5beta-Cholanic acid-3alpha6beta7alpha-triol;3alpha6beta7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"803211"	400.2097	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M"	0
"983304"	381.19131	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-H2O-H"	-19.01839
"70453"	265.799190666667	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M-3H"	-3.021828
"510013"	399.202424	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M-3H"	-3.021828
"886723"	132.395957333333	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-3H"	-3.021828
"6390"	399.202424	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M-2H"	-2.014552
"444855"	599.307274	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M-2H"	-2.014552
"820469"	199.097574	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-2H"	-2.014552
"78832"	799.412124	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M-H"	-1.007276
"526585"	1199.621824	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M-H"	-1.007276
"903292"	399.202424	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-H"	-1.007276
"59858"	816.438671	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M-2H+NH4"	16.019271
"499418"	1216.648371	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M-2H+NH4"	16.019271
"877347"	416.228971	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-2H+NH4"	16.019271
"44030"	821.394066	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M-2H+Na"	20.974666
"480309"	1221.603766	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M-2H+Na"	20.974666
"855923"	421.184366	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-2H+Na"	20.974666
"1625456"	421.184366	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Na-2H"	20.974666
"94440"	417.190763	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M-H+Cl"	33.962126
"539361"	617.295613	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M-H+Cl"	33.962126
"931784"	217.085913	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-H+Cl"	33.962126
"267156"	835.388802	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+Cl"	34.969402
"660052"	1235.598502	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+Cl"	34.969402
"1273204"	435.179102	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Cl"	34.969402
"16251"	837.368006	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M-2H+K"	36.948606
"455864"	1237.577706	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M-2H+K"	36.948606
"833615"	437.158306	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-2H+K"	36.948606
"1555894"	437.158306	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+K-2H"	36.948606
"953021"	445.207894	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-H+HCOOH"	44.998194
"373060"	845.417601	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+HCOOH-H"	44.998201
"352933"	859.433251	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+Hac-H"	59.013851
"1502865"	459.223551	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Hac-H"	59.013851
"973572"	467.189851	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-H+NaCOOH"	66.980151
"121505"	435.179102	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+2Cl"	69.938804
"563252"	635.283952	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+2Cl"	69.938804
"1032051"	235.074252	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2Cl"	69.938804
"1256612"	479.128585	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Br"	78.918885
"1319182"	481.184572	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Cl+HCOOH"	80.974872
"1333763"	503.166529	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Cl+NaCOOH"	102.956829
"923728"	513.195286	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M-H+CF3COOH"	112.985586
"1300436"	549.171964	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Cl+CF3COOH"	148.962264
"1375316"	365.197024	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H-2H2O"	-35.012676
"1388440"	383.207	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H-H2O"	-17.0027
"287032"	801.426676	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+H"	1.007276
"684919"	1201.636376	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+H"	1.007276
"1352519"	401.216976	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H"	1.007276
"139630"	401.216976	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+2H"	2.014552
"575908"	601.321826	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+2H"	2.014552
"1043615"	201.112126	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2H"	2.014552
"211517"	267.813742666667	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+3H"	3.021828
"651076"	401.216976	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+3H"	3.021828
"1170300"	134.410509333333	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+3H"	3.021828
"431748"	818.453223	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+NH4"	18.033823
"790191"	1218.662923	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+NH4"	18.033823
"1693090"	418.243523	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+NH4"	18.033823
"340274"	409.7302495	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+H+NH4"	19.041099
"734880"	609.8350995	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+H+NH4"	19.041099
"1487612"	209.6253995	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H+NH4"	19.041099
"395358"	823.408618	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+Na"	22.989218
"759633"	1223.618318	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+Na"	22.989218
"1607734"	423.198918	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Na"	22.989218
"319957"	412.207947	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+H+Na"	23.996494
"712378"	612.312797	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+H+Na"	23.996494
"1472765"	212.103097	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H+Na"	23.996494
"1060541"	141.737823333333	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2H+Na"	25.00377
"1263313"	433.243186	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+CH3OH+H"	33.033486
"388089"	839.382558	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+K"	38.963158
"739241"	1239.592258	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+K"	38.963158
"1542754"	439.172858	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+K"	38.963158
"308678"	420.194917	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+H+K"	39.970434
"700005"	620.299767	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+H+K"	39.970434
"1454920"	220.090067	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H+K"	39.970434
"244616"	842.453226	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+ACN+H"	42.033826
"1221699"	442.243526	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+ACN+H"	42.033826
"1206678"	221.625401	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+ACN+2H"	43.041102
"198456"	845.39056	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+2Na-H"	44.97116
"635101"	1245.60026	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+2Na-H"	44.97116
"1142618"	445.18086	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2Na-H"	44.97116
"182624"	423.198918	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+2Na"	45.978436
"618903"	623.303768	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+2Na"	45.978436
"1126786"	223.094068	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2Na"	45.978436
"1409588"	149.065137333333	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H+2Na"	46.985712
"1441339"	447.222446	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H+HCOOH"	47.012746
"230670"	428.23194	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+3H2O+2H"	56.04448
"1518731"	461.27449	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+IsoProp+H"	61.06479
"419878"	431.185888	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+Na+K"	61.952376
"781235"	631.290738	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+Na+K"	61.952376
"1675744"	231.081038	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Na+K"	61.952376
"265427"	864.435168	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+ACN+Na"	64.015768
"1237529"	464.225468	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+ACN+Na"	64.015768
"1727630"	464.248993	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+NH4+HCOOH"	64.039293
"1191771"	156.392451333333	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+3Na"	68.967654
"1663489"	469.204388	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Na+HCOOH"	68.994688
"169983"	877.33844	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+2K-H"	76.91904
"610636"	1277.54814	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+2K-H"	76.91904
"1094783"	477.12874	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2K-H"	76.91904
"153422"	439.172858	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"2M+2K"	77.926316
"595538"	639.277708	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"3M+2K"	77.926316
"1078956"	239.068008	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2K"	77.926316
"1114354"	479.143292	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2K+H"	78.933592
"1344177"	479.230907	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+DMSO+H"	79.021207
"1012707"	483.270076	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2ACN+H"	83.060376
"1534113"	484.263708	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+IsoProp+Na+H"	84.054008
"996187"	242.138676	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+2ACN+2H"	84.067652
"1592875"	485.178328	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+K+HCOOH"	84.968628
"1416348"	515.209838	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+H+CF3COOH"	115.000138
"1152103"	262.651951	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+3ACN+2H"	125.094202
"1701655"	532.236385	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+NH4+CF3COOH"	132.026685
"1639492"	537.19178	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+Na+CF3COOH"	136.98208
"1586078"	553.16572	"C17648"	"Cinncassiol B"	"C20H32O8"	"400.2097"	"M+K+CF3COOH"	152.95602
"804414"	408.2876	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M"	0
"983414"	389.26921	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"70563"	271.184457333333	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"510123"	407.280324	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"887926"	135.088590666667	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"5407"	407.280324	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"447152"	611.424124	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"822766"	203.136524	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"78632"	815.567924	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"527788"	1223.855524	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"903402"	407.280324	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"60698"	832.594471	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"499164"	1240.882071	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"878306"	424.306871	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"41953"	837.549866	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"477139"	1245.837466	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"858220"	429.262266	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1619161"	429.262266	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"94684"	425.268663	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"539471"	629.412463	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"930801"	221.124863	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"268261"	851.544602	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"661047"	1259.832202	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1273676"	443.257002	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"17206"	853.523806	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"456648"	1261.811406	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"834088"	445.236206	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1556123"	445.236206	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"943279"	453.285794	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"363314"	861.573401	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"348669"	875.589051	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1502611"	467.301451	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"972341"	475.267751	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"121615"	443.257002	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"563362"	647.400802	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1033255"	239.113202	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1256602"	487.206485	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1318928"	489.262472	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1333873"	511.244429	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"923838"	521.273186	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1300546"	557.249864	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1374333"	373.274924	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1388550"	391.2849	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"286049"	817.582476	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"685029"	1225.870076	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1353722"	409.294876	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"139740"	409.294876	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"576018"	613.438676	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1045912"	205.151076	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"212720"	273.199009333333	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"651187"	409.294876	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1171867"	137.103142666667	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"431858"	834.609023	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"792489"	1242.896623	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1693198"	426.321423	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"341477"	417.8081495	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"736083"	621.9519495	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1489541"	213.6643495	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"397654"	839.564418	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"759745"	1247.852018	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1605658"	431.276818	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"322254"	420.285847	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"714675"	624.429647	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1469595"	216.142047	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1057372"	144.430456666667	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1262330"	441.321086	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"388563"	855.538358	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"750653"	1263.825958	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1540067"	447.250758	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"301134"	428.272817	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"697929"	632.416617	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1451749"	224.129017	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"244729"	858.609026	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1215248"	450.321426	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1206787"	225.664351	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"198564"	861.54636	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"635940"	1269.83396	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1137260"	453.25876	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"182734"	431.276818	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"621201"	635.420618	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1126532"	227.133018	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1408969"	151.757770666667	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1441813"	455.300346	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"230050"	436.30984	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1519205"	469.35239	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"421446"	439.263788	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"781709"	643.407588	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1678042"	235.119988	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"264201"	880.590968	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1237273"	472.303368	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1726647"	472.326893	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1190789"	159.085084666667	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1663599"	477.282288	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"170700"	893.49424	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"611110"	1301.78184	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1094893"	485.20664	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"153532"	447.250758	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"594922"	651.394558	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1077973"	243.106958	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1114464"	487.221192	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1341005"	487.308807	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1016098"	491.347976	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1534223"	492.341608	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"999575"	246.177626	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1594077"	493.256228	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1418644"	523.287738	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1152213"	266.690901	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1701765"	540.314285	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1637415"	545.26968	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1586188"	561.24362	"C17649"	"Hyocholate;Hyocholic acid;Iocholic acid;gamma-Muricholate;alpha-Hyocholic acid;3alpha6alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid;6alpha-Hydroxychenodeoxycholic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"806711"	408.2876	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M"	0
"983524"	389.26921	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"69580"	271.184457333333	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"513513"	407.280324	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"882568"	135.088590666667	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"5517"	407.280324	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"447262"	611.424124	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"822876"	203.136524	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"80681"	815.567924	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"526805"	1223.855524	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"903512"	407.280324	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"59716"	832.594471	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"497453"	1240.882071	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"878537"	424.306871	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"41699"	837.549866	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"477249"	1245.837466	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"855050"	429.262266	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1618866"	429.262266	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"94787"	425.268663	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"539581"	629.412463	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"932004"	221.124863	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"268492"	851.544602	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"661156"	1259.832202	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1273918"	443.257002	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"16957"	853.523806	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"457246"	1261.811406	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"835049"	445.236206	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1556635"	445.236206	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"944117"	453.285794	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"363787"	861.573401	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"347309"	875.589051	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1504908"	467.301451	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"974186"	475.267751	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"123912"	443.257002	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"560192"	647.400802	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1036281"	239.113202	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1256224"	487.206485	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1318674"	489.262472	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1334350"	511.244429	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"923948"	521.273186	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1300656"	557.249864	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1378817"	373.274924	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1390847"	391.2849	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"292719"	817.582476	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"685139"	1225.870076	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1354925"	409.294876	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"126233"	409.294876	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"578315"	613.438676	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1046022"	205.151076	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"209550"	273.199009333333	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"648017"	409.294876	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1170155"	137.103142666667	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"431968"	834.609023	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"794057"	1242.896623	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1694400"	426.321423	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"342680"	417.8081495	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"736193"	621.9519495	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1488922"	213.6643495	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"397767"	839.564418	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"765324"	1247.852018	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1610142"	431.276818	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"324552"	420.285847	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"716973"	624.429647	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1470798"	216.142047	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1058575"	144.430456666667	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1263533"	441.321086	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"385388"	855.538358	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"745292"	1263.825958	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1542246"	447.250758	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"300881"	428.272817	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"693667"	632.416617	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1450769"	224.129017	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"242651"	858.609026	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1216452"	450.321426	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1205803"	225.664351	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"197581"	861.54636	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"638238"	1269.83396	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1144294"	453.25876	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"179565"	431.276818	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"621311"	635.420618	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1123725"	227.133018	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1410173"	151.757770666667	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1442651"	455.300346	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"233806"	436.30984	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1519315"	469.35239	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"420825"	439.263788	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"782548"	643.407588	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1677058"	235.119988	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"263581"	880.590968	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1235563"	472.303368	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1726999"	472.326893	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1191992"	159.085084666667	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1664073"	477.282288	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"170931"	893.49424	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"610857"	1301.78184	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1096096"	485.20664	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"154006"	447.250758	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"596610"	651.394558	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1080271"	243.106958	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1115183"	487.221192	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1342207"	487.308807	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1016208"	491.347976	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1538707"	492.341608	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"999685"	246.177626	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1596373"	493.256228	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1419848"	523.287738	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1152323"	266.690901	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1699688"	540.314285	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1639712"	545.26968	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1586298"	561.24362	"C17650"	"Vulpecholate;Vulpecholic acid;1alpha3alpha7alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"803541"	424.2825	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M"	0
"983634"	405.26411	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-H2O-H"	-19.01839
"68597"	281.847724	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M-3H"	-3.021828
"510343"	423.275224	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M-3H"	-3.021828
"882678"	140.420224	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-3H"	-3.021828
"5627"	423.275224	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M-2H"	-2.014552
"444092"	635.416474	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M-2H"	-2.014552
"822986"	211.133974	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-2H"	-2.014552
"81885"	847.557724	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M-H"	-1.007276
"522169"	1271.840224	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M-H"	-1.007276
"901435"	423.275224	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-H"	-1.007276
"48150"	864.584271	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M-2H+NH4"	16.019271
"488076"	1288.866771	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M-2H+NH4"	16.019271
"865390"	440.301771	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-2H+NH4"	16.019271
"43996"	869.539666	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M-2H+Na"	20.974666
"480275"	1293.822166	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M-2H+Na"	20.974666
"855160"	445.257166	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-2H+Na"	20.974666
"1620438"	445.257166	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Na-2H"	20.974666
"95997"	441.263563	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M-H+Cl"	33.962126
"536776"	653.404813	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M-H+Cl"	33.962126
"929928"	229.122313	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-H+Cl"	33.962126
"267872"	883.534402	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+Cl"	34.969402
"661751"	1307.816902	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+Cl"	34.969402
"1273542"	459.251902	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Cl"	34.969402
"16464"	885.513606	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M-2H+K"	36.948606
"455898"	1309.796106	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M-2H+K"	36.948606
"834313"	461.231106	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-2H+K"	36.948606
"1556712"	461.231106	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+K-2H"	36.948606
"943499"	469.280694	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-H+HCOOH"	44.998194
"366450"	893.563201	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+HCOOH-H"	44.998201
"346688"	907.578851	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+Hac-H"	59.013851
"1504654"	483.296351	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Hac-H"	59.013851
"969279"	491.262651	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-H+NaCOOH"	66.980151
"122563"	459.251902	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+2Cl"	69.938804
"561395"	671.393152	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+2Cl"	69.938804
"1036394"	247.110652	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2Cl"	69.938804
"1256457"	503.201385	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Br"	78.918885
"1319148"	505.257372	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Cl+HCOOH"	80.974872
"1331906"	527.239329	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Cl+NaCOOH"	102.956829
"920778"	537.268086	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M-H+CF3COOH"	112.985586
"1300766"	573.244764	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Cl+CF3COOH"	148.962264
"1376739"	389.269824	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H-2H2O"	-35.012676
"1390957"	407.2798	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H-H2O"	-17.0027
"291735"	849.572276	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+H"	1.007276
"679781"	1273.854776	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+H"	1.007276
"1352847"	425.289776	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H"	1.007276
"127072"	425.289776	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+2H"	2.014552
"574052"	637.431026	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+2H"	2.014552
"1045038"	213.148526	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2H"	2.014552
"207838"	283.862276	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+3H"	3.021828
"648127"	425.289776	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+3H"	3.021828
"1170265"	142.434776	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+3H"	3.021828
"432442"	866.598823	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+NH4"	18.033823
"794167"	1290.881323	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+NH4"	18.033823
"1689045"	442.316323	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+NH4"	18.033823
"340604"	433.8030495	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+H+NH4"	19.041099
"734119"	645.9442995	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+H+NH4"	19.041099
"1483566"	221.6617995	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H+NH4"	19.041099
"402252"	871.554218	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+Na"	22.989218
"764341"	1295.836718	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+Na"	22.989218
"1609160"	447.271718	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Na"	22.989218
"324662"	436.280747	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+H+Na"	23.996494
"717084"	648.421997	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+H+Na"	23.996494
"1468721"	224.139497	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H+Na"	23.996494
"1059779"	149.76209	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2H+Na"	25.00377
"1264737"	457.315986	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+CH3OH+H"	33.033486
"387324"	887.528158	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+K"	38.963158
"742122"	1311.810658	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+K"	38.963158
"1552927"	463.245658	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+K"	38.963158
"306824"	444.267717	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+H+K"	39.970434
"695962"	656.408967	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+H+K"	39.970434
"1454158"	232.126467	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H+K"	39.970434
"244948"	890.598826	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+ACN+H"	42.033826
"1217655"	466.316326	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+ACN+H"	42.033826
"1204820"	233.661801	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+ACN+2H"	43.041102
"198783"	893.53616	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+2Na-H"	44.97116
"635066"	1317.81866	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+2Na-H"	44.97116
"1146354"	469.25366	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2Na-H"	44.97116
"179674"	447.271718	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+2Na"	45.978436
"619234"	659.412968	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+2Na"	45.978436
"1123835"	235.130468	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2Na"	45.978436
"1407367"	157.089404	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H+2Na"	46.985712
"1441668"	471.295246	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H+HCOOH"	47.012746
"233796"	452.30474	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+3H2O+2H"	56.04448
"1519426"	485.34729	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+IsoProp+H"	61.06479
"422516"	455.258688	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+Na+K"	61.952376
"781201"	667.399938	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+Na+K"	61.952376
"1678262"	243.117438	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Na+K"	61.952376
"265757"	912.580768	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+ACN+Na"	64.015768
"1237862"	488.298268	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+ACN+Na"	64.015768
"1728083"	488.321793	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+NH4+HCOOH"	64.039293
"1192104"	164.416718	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+3Na"	68.967654
"1661996"	493.277188	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Na+HCOOH"	68.994688
"169948"	925.48404	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+2K-H"	76.91904
"610602"	1349.76654	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+2K-H"	76.91904
"1096206"	501.20154	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2K-H"	76.91904
"154844"	463.245658	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"2M+2K"	77.926316
"596358"	675.386908	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"3M+2K"	77.926316
"1083785"	251.104408	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2K"	77.926316
"1114441"	503.216092	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2K+H"	78.933592
"1342317"	503.303707	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+DMSO+H"	79.021207
"1018504"	507.342876	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2ACN+H"	83.060376
"1538817"	508.336508	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+IsoProp+Na+H"	84.054008
"999796"	254.175076	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+2ACN+2H"	84.067652
"1596483"	509.251128	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+K+HCOOH"	84.968628
"1421052"	539.282638	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+H+CF3COOH"	115.000138
"1153527"	274.688351	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+3ACN+2H"	125.094202
"1701985"	556.309185	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+NH4+CF3COOH"	132.026685
"1639822"	561.26458	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+Na+CF3COOH"	136.98208
"1586408"	577.23852	"C17651"	"alpha-Phocaecholic acid;3alpha7alpha12alpha23R-Tetrahydroxycholanic acid"	"C24H40O6"	"424.2825"	"M+K+CF3COOH"	152.95602
"803651"	352.225	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M"	0
"983744"	333.20661	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"70893"	233.809390666667	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"511546"	351.217724	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"886068"	116.401057333333	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"6830"	351.217724	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"444202"	527.330224	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"823096"	175.105224	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"84182"	703.442724	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"519365"	1055.667724	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"899358"	351.217724	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"47325"	720.469271	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"487377"	1072.694271	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"864649"	368.244271	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"42283"	725.424666	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"480750"	1077.649666	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"861467"	373.199666	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1622616"	373.199666	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"95621"	369.206063	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"535428"	545.318563	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"928579"	193.093563	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"268469"	739.419402	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"662106"	1091.644402	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1273413"	387.194402	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"16695"	741.398606	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"456015"	1093.623606	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"833327"	389.173606	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1555719"	389.173606	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"942914"	397.223194	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"364738"	749.448201	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"346028"	763.463851	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1503305"	411.238851	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"964284"	419.205151	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"123766"	387.194402	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"561505"	563.306902	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1032491"	211.081902	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1256883"	431.143885	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1319823"	433.199872	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1335298"	455.181829	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"924168"	465.210586	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1301969"	501.187264	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1376849"	317.212324	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1394346"	335.2223	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"295125"	705.457276	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"679891"	1057.682276	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1355143"	353.232276	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H"	1.007276
"128033"	353.232276	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"576348"	529.344776	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1044055"	177.119776	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"215238"	235.823942666667	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"653704"	353.232276	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1174020"	118.415609333333	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"435104"	722.483823	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"797193"	1074.708823	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1692437"	370.258823	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"341807"	361.7455495	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"734229"	537.8580495	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1486956"	185.6330495	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"397987"	727.439218	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"764451"	1079.664218	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1612551"	375.214218	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"324774"	364.223247	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"719746"	540.335747	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1469924"	188.110747	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1062076"	125.742923333333	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1267764"	385.258486	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"388892"	743.413158	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"749887"	1095.638158	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1549757"	391.188158	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+K"	38.963158
"311307"	372.210217	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"699354"	548.322717	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1452081"	196.097717	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"243963"	746.483826	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1217765"	394.258826	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1203836"	197.633051	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"193426"	749.42116	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"635176"	1101.64616	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1146701"	397.19616	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"183063"	375.214218	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"618979"	551.326718	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1123945"	199.101718	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1412213"	133.070237333333	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1442868"	399.237746	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"231473"	380.24724	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1523546"	413.28979	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"421412"	383.201188	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"781311"	559.313688	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1678372"	207.088688	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"264897"	768.465768	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1235786"	416.240768	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1728072"	416.264293	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1192581"	140.397551333333	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1665104"	421.219688	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"172123"	781.36904	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"611805"	1133.59404	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1097409"	429.14404	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"155319"	391.188158	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"596106"	567.300658	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1083288"	215.075658	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1114430"	431.158592	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1347897"	431.246207	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1020685"	435.285376	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1538686"	436.279008	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"1000998"	218.146326	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1596595"	437.193628	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1423349"	467.225138	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1152543"	238.659601	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1702095"	484.251685	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1636652"	489.20708	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1586518"	505.18102	"C17652"	"Cinncassiol D1"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"803761"	368.2199	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M"	0
"983854"	349.20151	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-H2O-H"	-19.01839
"69910"	244.472657333333	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M-3H"	-3.021828
"507283"	367.212624	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M-3H"	-3.021828
"890553"	121.732690666667	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-3H"	-3.021828
"5846"	367.212624	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M-2H"	-2.014552
"445406"	551.322574	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M-2H"	-2.014552
"823206"	183.102674	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-2H"	-2.014552
"79918"	735.432524	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M-H"	-1.007276
"518574"	1103.652424	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M-H"	-1.007276
"897638"	367.212624	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-H"	-1.007276
"47308"	752.459071	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M-2H+NH4"	16.019271
"487560"	1120.678971	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M-2H+NH4"	16.019271
"864401"	384.239171	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-2H+NH4"	16.019271
"45920"	757.414466	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M-2H+Na"	20.974666
"485236"	1125.634366	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M-2H+Na"	20.974666
"858662"	389.194566	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-2H+Na"	20.974666
"1620540"	389.194566	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Na-2H"	20.974666
"94512"	385.200963	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M-H+Cl"	33.962126
"534808"	569.310913	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M-H+Cl"	33.962126
"928688"	201.091013	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-H+Cl"	33.962126
"268337"	771.409202	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+Cl"	34.969402
"661851"	1139.629102	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+Cl"	34.969402
"1273235"	403.189302	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Cl"	34.969402
"15862"	773.388406	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M-2H+K"	36.948606
"455710"	1141.608306	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M-2H+K"	36.948606
"833233"	405.168506	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-2H+K"	36.948606
"1555641"	405.168506	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+K-2H"	36.948606
"942850"	413.218094	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-H+HCOOH"	44.998194
"361443"	781.438001	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+HCOOH-H"	44.998201
"345732"	795.453651	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+Hac-H"	59.013851
"1500135"	427.233751	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Hac-H"	59.013851
"963301"	435.200051	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-H+NaCOOH"	66.980151
"123876"	403.189302	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+2Cl"	69.938804
"564897"	587.299252	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+2Cl"	69.938804
"1032601"	219.079352	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2Cl"	69.938804
"1255825"	447.138785	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Br"	78.918885
"1319611"	449.194772	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Cl+HCOOH"	80.974872
"1325565"	471.176729	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Cl+NaCOOH"	102.956829
"924278"	481.205486	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M-H+CF3COOH"	112.985586
"1295519"	517.182164	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Cl+CF3COOH"	148.962264
"1368212"	333.207224	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H-2H2O"	-35.012676
"1385705"	351.2172	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H-H2O"	-17.0027
"285395"	737.447076	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+H"	1.007276
"677814"	1105.666976	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+H"	1.007276
"1352335"	369.227176	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H"	1.007276
"128143"	369.227176	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+2H"	2.014552
"573179"	553.337126	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+2H"	2.014552
"1041978"	185.117226	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2H"	2.014552
"213161"	246.487209333333	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+3H"	3.021828
"650534"	369.227176	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+3H"	3.021828
"1173036"	123.747242666667	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+3H"	3.021828
"434121"	754.473623	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+NH4"	18.033823
"791835"	1122.693523	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+NH4"	18.033823
"1692544"	386.253723	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+NH4"	18.033823
"342646"	377.7404495	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+H+NH4"	19.041099
"733244"	561.8503995	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+H+NH4"	19.041099
"1487066"	193.6304995	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H+NH4"	19.041099
"399192"	759.429018	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+Na"	22.989218
"759096"	1127.648918	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+Na"	22.989218
"1609381"	391.209118	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Na"	22.989218
"320511"	380.218147	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+H+Na"	23.996494
"716211"	564.328097	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+H+Na"	23.996494
"1464566"	196.108197	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H+Na"	23.996494
"1059997"	131.074556666667	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2H+Na"	25.00377
"1263500"	401.253386	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+CH3OH+H"	33.033486
"386813"	775.402958	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+K"	38.963158
"747808"	1143.622858	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+K"	38.963158
"1548768"	407.183058	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+K"	38.963158
"309228"	388.205117	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+H+K"	39.970434
"697276"	572.315067	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+H+K"	39.970434
"1452193"	204.095167	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H+K"	39.970434
"244076"	778.473626	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+ACN+H"	42.033826
"1216783"	410.253726	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+ACN+H"	42.033826
"1202853"	205.630501	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+ACN+2H"	43.041102
"193536"	781.41096	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+2Na-H"	44.97116
"637473"	1149.63086	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+2Na-H"	44.97116
"1140977"	413.19106	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2Na-H"	44.97116
"183174"	391.209118	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+2Na"	45.978436
"617632"	575.319068	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+2Na"	45.978436
"1124055"	207.099168	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2Na"	45.978436
"1413781"	138.401870666667	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H+2Na"	46.985712
"1443709"	415.232646	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H+HCOOH"	47.012746
"235188"	396.24214	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+3H2O+2H"	56.04448
"1520374"	429.28469	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+IsoProp+H"	61.06479
"422249"	399.196088	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+Na+K"	61.952376
"782516"	583.306038	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+Na+K"	61.952376
"1677752"	215.086138	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Na+K"	61.952376
"266668"	800.455568	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+ACN+Na"	64.015768
"1238083"	432.235668	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+ACN+Na"	64.015768
"1727695"	432.259193	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+NH4+HCOOH"	64.039293
"1193300"	145.729184666667	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+3Na"	68.967654
"1665379"	437.214588	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Na+HCOOH"	68.994688
"172233"	813.35884	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+2K-H"	76.91904
"611915"	1181.57874	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+2K-H"	76.91904
"1097519"	445.13894	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2K-H"	76.91904
"155429"	407.183058	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"2M+2K"	77.926316
"596989"	591.293008	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"3M+2K"	77.926316
"1083277"	223.073108	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2K"	77.926316
"1114539"	447.153492	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2K+H"	78.933592
"1350562"	447.241107	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+DMSO+H"	79.021207
"1019697"	451.280276	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2ACN+H"	83.060376
"1539405"	452.273908	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+IsoProp+Na+H"	84.054008
"1003293"	226.143776	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+2ACN+2H"	84.067652
"1601808"	453.188528	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+K+HCOOH"	84.968628
"1423457"	483.220038	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+H+CF3COOH"	115.000138
"1152653"	246.657051	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+3ACN+2H"	125.094202
"1702205"	500.246585	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+NH4+CF3COOH"	132.026685
"1636762"	505.20198	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+Na+CF3COOH"	136.98208
"1586628"	521.17592	"C17653"	"Cinncassiol D2"	"C20H32O6"	"368.2199"	"M+K+CF3COOH"	152.95602
"803871"	408.2876	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M"	0
"983964"	389.26921	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"70020"	271.184457333333	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"507393"	407.280324	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"890663"	135.088590666667	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"8143"	407.280324	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"445516"	611.424124	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"820036"	203.136524	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"81122"	815.567924	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"519827"	1223.855524	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"898477"	407.280324	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"48965"	832.594471	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"488401"	1240.882071	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"865228"	424.306871	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"46032"	837.549866	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"485103"	1245.837466	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"858772"	429.262266	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1621014"	429.262266	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"94990"	425.268663	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"536011"	629.412463	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"931353"	221.124863	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"268812"	851.544602	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"662324"	1259.832202	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1275821"	443.257002	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"16429"	853.523806	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"456844"	1261.811406	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"833427"	445.236206	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1556067"	445.236206	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"944559"	453.285794	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"361590"	861.573401	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"345735"	875.589051	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1500245"	467.301451	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"963411"	475.267751	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"122164"	443.257002	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"564278"	647.400802	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1032711"	239.113202	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1254842"	487.206485	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1319356"	489.262472	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1325675"	511.244429	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"921108"	521.273186	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1292349"	557.249864	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1368685"	373.274924	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1385813"	391.2849	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"286598"	817.582476	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"677194"	1225.870076	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1353539"	409.294876	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"127523"	409.294876	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"574382"	613.438676	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1039172"	205.151076	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"208163"	273.199009333333	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"647721"	409.294876	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1169866"	137.103142666667	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"433137"	834.609023	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"791945"	1242.896623	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1693747"	426.321423	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"340934"	417.8081495	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"732257"	621.9519495	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1487175"	213.6643495	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"401490"	839.564418	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"765767"	1247.852018	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1613866"	431.276818	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"324995"	420.285847	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"717414"	624.429647	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1466863"	216.142047	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1062294"	144.430456666667	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1267619"	441.321086	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"387651"	855.538358	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"751199"	1263.825958	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1549971"	447.250758	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"310431"	428.272817	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"699573"	632.416617	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1452303"	224.129017	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"243092"	858.609026	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1215799"	450.321426	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1200776"	225.664351	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"196926"	861.54636	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"634302"	1269.83396	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1144366"	453.25876	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"183284"	431.276818	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"618835"	635.420618	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1124165"	227.133018	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1412434"	151.757770666667	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1442362"	455.300346	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"232058"	436.30984	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1520120"	469.35239	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"420167"	439.263788	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"782627"	643.407588	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1677865"	235.119988	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"267108"	880.590968	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1240380"	472.303368	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1727075"	472.326893	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1194127"	159.085084666667	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1665485"	477.282288	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"172670"	893.49424	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"612025"	1301.78184	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1098358"	485.20664	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"156636"	447.250758	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"597026"	651.394558	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1084082"	243.106958	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1115501"	487.221192	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1351233"	487.308807	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1021274"	491.347976	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1539394"	492.341608	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"1004863"	246.177626	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1602649"	493.256228	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1422474"	523.287738	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1151670"	266.690901	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1704502"	540.314285	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1640152"	545.26968	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1586738"	561.24362	"C17654"	"beta-Phocaecholate;beta-Phocaecholic acid;(23R)-Hydroxychenodeoxycholate"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"803981"	368.2199	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M"	0
"984074"	349.20151	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-H2O-H"	-19.01839
"70130"	244.472657333333	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M-3H"	-3.021828
"505680"	367.212624	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M-3H"	-3.021828
"891866"	121.732690666667	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-3H"	-3.021828
"9346"	367.212624	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M-2H"	-2.014552
"442346"	551.322574	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M-2H"	-2.014552
"820146"	183.102674	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-2H"	-2.014552
"81232"	735.432524	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M-H"	-1.007276
"520424"	1103.652424	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M-H"	-1.007276
"897495"	367.212624	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-H"	-1.007276
"50776"	752.459071	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M-2H+NH4"	16.019271
"489242"	1120.678971	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M-2H+NH4"	16.019271
"865101"	384.239171	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-2H+NH4"	16.019271
"32880"	757.414466	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M-2H+Na"	20.974666
"486024"	1125.634366	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M-2H+Na"	20.974666
"858882"	389.194566	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-2H+Na"	20.974666
"1621853"	389.194566	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Na-2H"	20.974666
"95465"	385.200963	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M-H+Cl"	33.962126
"537578"	569.310913	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M-H+Cl"	33.962126
"931463"	201.091013	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-H+Cl"	33.962126
"269651"	771.409202	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+Cl"	34.969402
"662069"	1139.629102	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+Cl"	34.969402
"1276296"	403.189302	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Cl"	34.969402
"16903"	773.388406	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M-2H+K"	36.948606
"457319"	1141.608306	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M-2H+K"	36.948606
"833779"	405.168506	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-2H+K"	36.948606
"1557880"	405.168506	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+K-2H"	36.948606
"946127"	413.218094	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-H+HCOOH"	44.998194
"362516"	781.438001	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+HCOOH-H"	44.998201
"346523"	795.453651	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+Hac-H"	59.013851
"1494512"	427.233751	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Hac-H"	59.013851
"960960"	435.200051	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-H+NaCOOH"	66.980151
"114605"	403.189302	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+2Cl"	69.938804
"552706"	587.299252	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+2Cl"	69.938804
"1024792"	219.079352	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2Cl"	69.938804
"1249114"	447.138785	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Br"	78.918885
"1306822"	449.194772	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Cl+HCOOH"	80.974872
"1321400"	471.176729	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Cl+NaCOOH"	102.956829
"922305"	481.205486	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M-H+CF3COOH"	112.985586
"1292459"	517.182164	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Cl+CF3COOH"	148.962264
"1371710"	333.207224	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H-2H2O"	-35.012676
"1385557"	351.2172	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H-H2O"	-17.0027
"286707"	737.447076	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+H"	1.007276
"677666"	1105.666976	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+H"	1.007276
"1353649"	369.227176	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H"	1.007276
"127631"	369.227176	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+2H"	2.014552
"574492"	553.337126	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+2H"	2.014552
"1042198"	185.117226	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2H"	2.014552
"208272"	246.487209333333	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+3H"	3.021828
"647831"	369.227176	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+3H"	3.021828
"1168883"	123.747242666667	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+3H"	3.021828
"432154"	754.473623	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+NH4"	18.033823
"789868"	1122.693523	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+NH4"	18.033823
"1688392"	386.253723	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+NH4"	18.033823
"338858"	377.7404495	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+H+NH4"	19.041099
"731274"	561.8503995	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+H+NH4"	19.041099
"1484004"	193.6304995	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H+NH4"	19.041099
"401602"	759.429018	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+Na"	22.989218
"766606"	1127.648918	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+Na"	22.989218
"1614342"	391.209118	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Na"	22.989218
"325834"	380.218147	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+H+Na"	23.996494
"717526"	564.328097	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+H+Na"	23.996494
"1468797"	196.108197	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H+Na"	23.996494
"1061312"	131.074556666667	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2H+Na"	25.00377
"1269552"	401.253386	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+CH3OH+H"	33.033486
"389584"	775.402958	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+K"	38.963158
"750581"	1143.622858	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+K"	38.963158
"1549718"	407.183058	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+K"	38.963158
"310907"	388.205117	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+H+K"	39.970434
"701871"	572.315067	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+H+K"	39.970434
"1451320"	204.095167	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H+K"	39.970434
"244295"	778.473626	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+ACN+H"	42.033826
"1217002"	410.253726	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+ACN+H"	42.033826
"1204165"	205.630501	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+ACN+2H"	43.041102
"194849"	781.41096	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+2Na-H"	44.97116
"635504"	1149.63086	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+2Na-H"	44.97116
"1143748"	413.19106	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2Na-H"	44.97116
"183393"	391.209118	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+2Na"	45.978436
"620770"	575.319068	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+2Na"	45.978436
"1124275"	207.099168	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2Na"	45.978436
"1411816"	138.401870666667	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H+2Na"	46.985712
"1443201"	415.232646	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H+HCOOH"	47.012746
"232897"	396.24214	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+3H2O+2H"	56.04448
"1521323"	429.28469	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+IsoProp+H"	61.06479
"419914"	399.196088	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+Na+K"	61.952376
"782734"	583.306038	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+Na+K"	61.952376
"1677610"	215.086138	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Na+K"	61.952376
"264131"	800.455568	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+ACN+Na"	64.015768
"1238668"	432.235668	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+ACN+Na"	64.015768
"1726092"	432.259193	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+NH4+HCOOH"	64.039293
"1192544"	145.729184666667	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+3Na"	68.967654
"1665473"	437.214588	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Na+HCOOH"	68.994688
"172835"	813.35884	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+2K-H"	76.91904
"611772"	1181.57874	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+2K-H"	76.91904
"1097739"	445.13894	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2K-H"	76.91904
"155165"	407.183058	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"2M+2K"	77.926316
"596721"	591.293008	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"3M+2K"	77.926316
"1084147"	223.073108	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2K"	77.926316
"1114884"	447.153492	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2K+H"	78.933592
"1350177"	447.241107	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+DMSO+H"	79.021207
"1021334"	451.280276	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2ACN+H"	83.060376
"1539865"	452.273908	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+IsoProp+Na+H"	84.054008
"1004486"	226.143776	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+2ACN+2H"	84.067652
"1601663"	453.188528	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+K+HCOOH"	84.968628
"1423678"	483.220038	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+H+CF3COOH"	115.000138
"1153967"	246.657051	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+3ACN+2H"	125.094202
"1702425"	500.246585	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+NH4+CF3COOH"	132.026685
"1636982"	505.20198	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+Na+CF3COOH"	136.98208
"1586848"	521.17592	"C17655"	"Cinncassiol D3"	"C20H32O6"	"368.2199"	"M+K+CF3COOH"	152.95602
"807371"	352.225	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M"	0
"984184"	333.20661	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-H2O-H"	-19.01839
"70240"	233.809390666667	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M-3H"	-3.021828
"507613"	351.217724	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M-3H"	-3.021828
"891976"	116.401057333333	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-3H"	-3.021828
"9456"	351.217724	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M-2H"	-2.014552
"445736"	527.330224	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M-2H"	-2.014552
"821349"	175.105224	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-2H"	-2.014552
"83528"	703.442724	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M-H"	-1.007276
"521991"	1055.667724	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M-H"	-1.007276
"896875"	351.217724	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-H"	-1.007276
"48701"	720.469271	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M-2H+NH4"	16.019271
"487773"	1072.694271	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M-2H+NH4"	16.019271
"864847"	368.244271	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-2H+NH4"	16.019271
"33962"	725.424666	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M-2H+Na"	20.974666
"486586"	1077.649666	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M-2H+Na"	20.974666
"858992"	373.199666	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-2H+Na"	20.974666
"1624149"	373.199666	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Na-2H"	20.974666
"98491"	369.206063	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M-H+Cl"	33.962126
"540239"	545.318563	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M-H+Cl"	33.962126
"932666"	193.093563	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-H+Cl"	33.962126
"271585"	739.419402	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+Cl"	34.969402
"664733"	1091.644402	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+Cl"	34.969402
"1276769"	387.194402	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Cl"	34.969402
"17138"	741.398606	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M-2H+K"	36.948606
"457429"	1093.623606	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M-2H+K"	36.948606
"835228"	389.173606	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-2H+K"	36.948606
"1557262"	389.173606	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+K-2H"	36.948606
"945146"	397.223194	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-H+HCOOH"	44.998194
"362992"	749.448201	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+HCOOH-H"	44.998201
"347244"	763.463851	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+Hac-H"	59.013851
"1494624"	411.238851	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Hac-H"	59.013851
"961439"	419.205151	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-H+NaCOOH"	66.980151
"113623"	387.194402	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+2Cl"	69.938804
"552092"	563.306902	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+2Cl"	69.938804
"1026362"	211.081902	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2Cl"	69.938804
"1250317"	431.143885	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Br"	78.918885
"1306566"	433.199872	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Cl+HCOOH"	80.974872
"1322239"	455.181829	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Cl+NaCOOH"	102.956829
"922415"	465.210586	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M-H+CF3COOH"	112.985586
"1298029"	501.187264	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Cl+CF3COOH"	148.962264
"1378378"	317.212324	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H-2H2O"	-35.012676
"1391500"	335.2223	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H-H2O"	-17.0027
"291189"	705.457276	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+H"	1.007276
"677413"	1057.682276	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+H"	1.007276
"1353760"	353.232276	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H"	1.007276
"125734"	353.232276	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+2H"	2.014552
"571321"	529.344776	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+2H"	2.014552
"1041579"	177.119776	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2H"	2.014552
"207289"	235.823942666667	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+3H"	3.021828
"648670"	353.232276	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+3H"	3.021828
"1170083"	118.415609333333	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+3H"	3.021828
"430438"	722.483823	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+NH4"	18.033823
"795082"	1074.708823	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+NH4"	18.033823
"1688503"	370.258823	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+NH4"	18.033823
"336781"	361.7455495	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+H+NH4"	19.041099
"732479"	537.8580495	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+H+NH4"	19.041099
"1485206"	185.6330495	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H+NH4"	19.041099
"407423"	727.439218	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+Na"	22.989218
"768784"	1079.664218	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+Na"	22.989218
"1615545"	375.214218	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Na"	22.989218
"325581"	364.223247	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+H+Na"	23.996494
"722133"	540.335747	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+H+Na"	23.996494
"1473282"	188.110747	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H+Na"	23.996494
"1066526"	125.742923333333	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2H+Na"	25.00377
"1271848"	385.258486	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+CH3OH+H"	33.033486
"390057"	743.413158	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+K"	38.963158
"754021"	1095.638158	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+K"	38.963158
"1555221"	391.188158	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+K"	38.963158
"312475"	372.210217	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+H+K"	39.970434
"700887"	548.322717	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+H+K"	39.970434
"1454707"	196.097717	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H+K"	39.970434
"244402"	746.483826	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+ACN+H"	42.033826
"1218205"	394.258826	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+ACN+H"	42.033826
"1202089"	197.633051	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+ACN+2H"	43.041102
"196053"	749.42116	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+2Na-H"	44.97116
"635615"	1101.64616	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+2Na-H"	44.97116
"1145562"	397.19616	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2Na-H"	44.97116
"187272"	375.214218	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+2Na"	45.978436
"620879"	551.326718	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+2Na"	45.978436
"1121102"	199.101718	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2Na"	45.978436
"1406458"	133.070237333333	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H+2Na"	46.985712
"1441489"	399.237746	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H+HCOOH"	47.012746
"230091"	380.24724	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+3H2O+2H"	56.04448
"1521434"	413.28979	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+IsoProp+H"	61.06479
"419294"	383.201188	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+Na+K"	61.952376
"777376"	559.313688	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+Na+K"	61.952376
"1676986"	207.088688	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Na+K"	61.952376
"262050"	768.465768	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+ACN+Na"	64.015768
"1235125"	416.240768	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+ACN+Na"	64.015768
"1725108"	416.264293	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+NH4+HCOOH"	64.039293
"1190104"	140.397551333333	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+3Na"	68.967654
"1662545"	421.219688	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Na+HCOOH"	68.994688
"170497"	781.36904	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+2K-H"	76.91904
"611031"	1133.59404	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+2K-H"	76.91904
"1095663"	429.14404	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2K-H"	76.91904
"154666"	391.188158	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"2M+2K"	77.926316
"596956"	567.300658	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"3M+2K"	77.926316
"1084015"	215.075658	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2K"	77.926316
"1115483"	431.158592	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2K+H"	78.933592
"1349799"	431.246207	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+DMSO+H"	79.021207
"1021252"	435.285376	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2ACN+H"	83.060376
"1539766"	436.279008	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+IsoProp+Na+H"	84.054008
"1001439"	218.146326	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+2ACN+2H"	84.067652
"1601652"	437.193628	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+K+HCOOH"	84.968628
"1423788"	467.225138	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+H+CF3COOH"	115.000138
"1155170"	238.659601	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+3ACN+2H"	125.094202
"1702535"	484.251685	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+NH4+CF3COOH"	132.026685
"1640372"	489.20708	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+Na+CF3COOH"	136.98208
"1586958"	505.18102	"C17656"	"Cinncassiol D4"	"C20H32O5"	"352.225"	"M+K+CF3COOH"	152.95602
"807481"	408.2876	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M"	0
"984294"	389.26921	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"70350"	271.184457333333	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"505536"	407.280324	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"892086"	135.088590666667	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"9566"	407.280324	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"446940"	611.424124	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"820366"	203.136524	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"85825"	815.567924	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"519915"	1223.855524	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"896743"	407.280324	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"49907"	832.594471	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"488494"	1240.882071	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"864260"	424.306871	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"31612"	837.549866	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"486283"	1245.837466	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"859103"	429.262266	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1629729"	429.262266	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"101882"	425.268663	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"538162"	629.412463	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"932776"	221.124863	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"272787"	851.544602	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"664113"	1259.832202	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1277245"	443.257002	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"20164"	853.523806	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"457174"	1261.811406	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"835338"	445.236206	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1557369"	445.236206	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"945256"	453.285794	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"361926"	861.573401	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"346746"	875.589051	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1495098"	467.301451	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"964829"	475.267751	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"113733"	443.257002	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"551108"	647.400802	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1023186"	239.113202	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1249334"	487.206485	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1307040"	489.262472	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1322349"	511.244429	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"923618"	521.273186	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1298139"	557.249864	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1378488"	373.274924	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1391610"	391.2849	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"291299"	817.582476	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"677523"	1225.870076	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1353506"	409.294876	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"126390"	409.294876	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"571431"	613.438676	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1042053"	205.151076	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"209585"	273.199009333333	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"646592"	409.294876	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1164715"	137.103142666667	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"425800"	834.609023	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"785815"	1242.896623	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1691885"	426.321423	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"335421"	417.8081495	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"727111"	621.9519495	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1483847"	213.6643495	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"397437"	839.564418	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"764997"	1247.852018	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1612000"	431.276818	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"322037"	420.285847	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"722118"	624.429647	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1476302"	216.142047	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1065901"	144.430456666667	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1267581"	441.321086	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"386153"	855.538358	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"748242"	1263.825958	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1554552"	447.250758	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"309659"	428.272817	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"704279"	632.416617	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1459556"	224.129017	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"242689"	858.609026	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1221595"	450.321426	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1202198"	225.664351	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"194341"	861.54636	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"636817"	1269.83396	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1143969"	453.25876	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"186532"	431.276818	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"626820"	635.420618	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1126679"	227.133018	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1410575"	151.757770666667	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1440135"	455.300346	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"224363"	436.30984	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1516799"	469.35239	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"417579"	439.263788	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"777478"	643.407588	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1673809"	235.119988	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"260328"	880.590968	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1235227"	472.303368	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1725939"	472.326893	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1189472"	159.085084666667	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1660463"	477.282288	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"169512"	893.49424	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"609069"	1301.78184	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1095405"	485.20664	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"150397"	447.250758	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"591058"	651.394558	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1080672"	243.106958	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1112057"	487.221192	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1346255"	487.308807	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1015881"	491.347976	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1534004"	492.341608	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"1002640"	246.177626	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1597142"	493.256228	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1426083"	523.287738	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1156372"	266.690901	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1707014"	540.314285	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1639387"	545.26968	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1577225"	561.24362	"C17657"	"Bitocholate;Bitocholic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"807591"	376.2977	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M"	0
"984404"	357.27931	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-H2O-H"	-19.01839
"70460"	249.857857333333	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M-3H"	-3.021828
"512207"	375.290424	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M-3H"	-3.021828
"892196"	124.425290666667	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-3H"	-3.021828
"9676"	375.290424	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M-2H"	-2.014552
"451424"	563.439274	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M-2H"	-2.014552
"820477"	187.141574	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-2H"	-2.014552
"87029"	751.588124	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M-H"	-1.007276
"523308"	1127.885824	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M-H"	-1.007276
"897828"	375.290424	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-H"	-1.007276
"50017"	768.614671	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M-2H+NH4"	16.019271
"491762"	1144.912371	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M-2H+NH4"	16.019271
"865556"	392.316971	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-2H+NH4"	16.019271
"32359"	773.570066	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M-2H+Na"	20.974666
"475940"	1149.867766	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M-2H+Na"	20.974666
"852647"	397.272366	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-2H+Na"	20.974666
"1626559"	397.272366	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Na-2H"	20.974666
"97983"	393.278763	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M-H+Cl"	33.962126
"536084"	581.427613	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M-H+Cl"	33.962126
"932886"	205.129913	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-H+Cl"	33.962126
"273628"	787.564802	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+Cl"	34.969402
"663129"	1163.862502	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+Cl"	34.969402
"1277357"	411.267102	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Cl"	34.969402
"19911"	789.544006	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M-2H+K"	36.948606
"456922"	1165.841706	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M-2H+K"	36.948606
"835814"	413.246306	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-2H+K"	36.948606
"1556751"	413.246306	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+K-2H"	36.948606
"945369"	421.295894	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-H+HCOOH"	44.998194
"363577"	797.593601	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+HCOOH-H"	44.998201
"346373"	811.609251	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+Hac-H"	59.013851
"1493062"	435.311551	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Hac-H"	59.013851
"964939"	443.277851	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-H+NaCOOH"	66.980151
"112752"	411.267102	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+2Cl"	69.938804
"552313"	599.415952	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+2Cl"	69.938804
"1022569"	223.118252	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2Cl"	69.938804
"1249444"	455.216585	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Br"	78.918885
"1306786"	457.272572	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Cl+HCOOH"	80.974872
"1319982"	479.254529	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Cl+NaCOOH"	102.956829
"922635"	489.283286	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M-H+CF3COOH"	112.985586
"1292781"	525.259964	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Cl+CF3COOH"	148.962264
"1372037"	341.285024	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H-2H2O"	-35.012676
"1385158"	359.295	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H-H2O"	-17.0027
"284844"	753.602676	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+H"	1.007276
"676176"	1129.900376	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+H"	1.007276
"1353616"	377.304976	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H"	1.007276
"126502"	377.304976	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+2H"	2.014552
"571541"	565.453826	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+2H"	2.014552
"1041435"	189.156126	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2H"	2.014552
"209332"	251.872409333333	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+3H"	3.021828
"647797"	377.304976	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+3H"	3.021828
"1165189"	126.439842666667	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+3H"	3.021828
"427733"	770.629223	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+NH4"	18.033823
"786293"	1146.926923	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+NH4"	18.033823
"1682382"	394.331523	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+NH4"	18.033823
"330175"	385.8182495	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+H+NH4"	19.041099
"727950"	573.9670995	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+H+NH4"	19.041099
"1483958"	197.6693995	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H+NH4"	19.041099
"397546"	775.584618	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+Na"	22.989218
"768391"	1151.882318	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+Na"	22.989218
"1612112"	399.286918	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Na"	22.989218
"321054"	388.295947	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+H+Na"	23.996494
"721743"	576.444797	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+H+Na"	23.996494
"1475318"	200.147097	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H+Na"	23.996494
"1066012"	133.767156666667	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2H+Na"	25.00377
"1268785"	409.331186	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+CH3OH+H"	33.033486
"388816"	791.558558	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+K"	38.963158
"750539"	1167.856258	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+K"	38.963158
"1554663"	415.260858	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+K"	38.963158
"308676"	396.282917	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+H+K"	39.970434
"704025"	584.431767	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+H+K"	39.970434
"1460759"	208.134067	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H+K"	39.970434
"242435"	794.629226	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+ACN+H"	42.033826
"1220612"	418.331526	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+ACN+H"	42.033826
"1203401"	209.669401	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+ACN+2H"	43.041102
"192626"	797.56656	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+2Na-H"	44.97116
"634740"	1173.86426	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+2Na-H"	44.97116
"1141163"	421.26886	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2Na-H"	44.97116
"185914"	399.286918	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+2Na"	45.978436
"624377"	587.435768	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+2Na"	45.978436
"1126790"	211.138068	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2Na"	45.978436
"1410321"	141.094470666667	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H+2Na"	46.985712
"1439881"	423.310446	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H+HCOOH"	47.012746
"224473"	404.31994	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+3H2O+2H"	56.04448
"1513629"	437.36249	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+IsoProp+H"	61.06479
"414409"	407.273888	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+Na+K"	61.952376
"776495"	595.422738	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+Na+K"	61.952376
"1672826"	219.125038	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Na+K"	61.952376
"260437"	816.611168	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+ACN+Na"	64.015768
"1234239"	440.313468	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+ACN+Na"	64.015768
"1724590"	440.336993	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+NH4+HCOOH"	64.039293
"1189581"	148.421784666667	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+3Na"	68.967654
"1659474"	445.292388	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Na+HCOOH"	68.994688
"168528"	829.51444	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+2K-H"	76.91904
"608085"	1205.81214	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+2K-H"	76.91904
"1095515"	453.21674	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2K-H"	76.91904
"150507"	415.260858	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"2M+2K"	77.926316
"593354"	603.409708	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"3M+2K"	77.926316
"1080053"	227.112008	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2K"	77.926316
"1107792"	455.231292	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2K+H"	78.933592
"1345272"	455.318907	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+DMSO+H"	79.021207
"1017084"	459.358076	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2ACN+H"	83.060376
"1534114"	460.351708	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+IsoProp+Na+H"	84.054008
"1000561"	230.182676	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+2ACN+2H"	84.067652
"1592876"	461.266328	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+K+HCOOH"	84.968628
"1425099"	491.297838	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+H+CF3COOH"	115.000138
"1157575"	250.695951	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+3ACN+2H"	125.094202
"1707124"	508.324385	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+NH4+CF3COOH"	132.026685
"1639497"	513.27978	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+Na+CF3COOH"	136.98208
"1577335"	529.25372	"C17658"	"Isolithocholate;Isolithocholic acid;beta-Lithocholic acid;beta-Lithocholanic acid;3-Epilithocholic acid;3beta-Hydroxy-5beta-cholan-24-oic acid;3beta-Hydroxy-5beta-cholan-24-oic acid"	"C24H40O3"	"376.2977"	"M+K+CF3COOH"	152.95602
"804421"	398.1941	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M"	0
"984514"	379.17571	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-H2O-H"	-19.01839
"70570"	264.455457333333	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M-3H"	-3.021828
"512317"	397.186824	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M-3H"	-3.021828
"892306"	131.724090666667	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-3H"	-3.021828
"6506"	397.186824	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M-2H"	-2.014552
"449347"	596.283874	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M-2H"	-2.014552
"820587"	198.089774	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-2H"	-2.014552
"86045"	795.380924	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M-H"	-1.007276
"522325"	1193.575024	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M-H"	-1.007276
"897332"	397.186824	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-H"	-1.007276
"50125"	812.407471	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M-2H+NH4"	16.019271
"490778"	1210.601571	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M-2H+NH4"	16.019271
"865423"	414.213371	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-2H+NH4"	16.019271
"32143"	817.362866	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M-2H+Na"	20.974666
"474957"	1215.556966	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M-2H+Na"	20.974666
"850935"	419.168766	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-2H+Na"	20.974666
"1629949"	419.168766	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Na-2H"	20.974666
"97364"	415.175163	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M-H+Cl"	33.962126
"539474"	614.272213	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M-H+Cl"	33.962126
"931901"	216.078113	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-H+Cl"	33.962126
"271915"	831.357602	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+Cl"	34.969402
"663970"	1229.551702	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+Cl"	34.969402
"1278560"	433.163502	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Cl"	34.969402
"19291"	833.336806	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M-2H+K"	36.948606
"457758"	1231.530906	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M-2H+K"	36.948606
"834464"	435.142706	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-2H+K"	36.948606
"1556859"	435.142706	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+K-2H"	36.948606
"943649"	443.192294	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-H+HCOOH"	44.998194
"361739"	841.386401	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+HCOOH-H"	44.998201
"346842"	855.402051	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+Hac-H"	59.013851
"1493008"	457.207951	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Hac-H"	59.013851
"965049"	465.174251	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-H+NaCOOH"	66.980151
"112862"	433.163502	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+2Cl"	69.938804
"550964"	632.260552	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+2Cl"	69.938804
"1022313"	234.066452	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2Cl"	69.938804
"1241531"	477.112985	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Br"	78.918885
"1306896"	479.168972	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Cl+HCOOH"	80.974872
"1320621"	501.150929	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Cl+NaCOOH"	102.956829
"920558"	511.179686	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M-H+CF3COOH"	112.985586
"1292891"	547.156364	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Cl+CF3COOH"	148.962264
"1371054"	363.181424	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H-2H2O"	-35.012676
"1384175"	381.1914	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H-H2O"	-17.0027
"283861"	797.395476	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+H"	1.007276
"676646"	1195.589576	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+H"	1.007276
"1354819"	399.201376	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H"	1.007276
"126004"	399.201376	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+2H"	2.014552
"572744"	598.298426	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+2H"	2.014552
"1043366"	200.104326	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2H"	2.014552
"210170"	266.470009333333	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+3H"	3.021828
"649000"	399.201376	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+3H"	3.021828
"1164570"	133.738642666667	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+3H"	3.021828
"426386"	814.422023	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+NH4"	18.033823
"786037"	1212.616123	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+NH4"	18.033823
"1682006"	416.227923	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+NH4"	18.033823
"330525"	407.7146495	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+H+NH4"	19.041099
"727696"	606.8116995	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+H+NH4"	19.041099
"1484433"	208.6175995	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H+NH4"	19.041099
"399842"	819.377418	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+Na"	22.989218
"761942"	1217.571518	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+Na"	22.989218
"1612222"	421.183318	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Na"	22.989218
"321164"	410.192347	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+H+Na"	23.996494
"715778"	609.289397	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+H+Na"	23.996494
"1473240"	211.095297	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H+Na"	23.996494
"1059560"	141.065956666667	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2H+Na"	25.00377
"1266343"	431.227586	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+CH3OH+H"	33.033486
"385280"	835.351358	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+K"	38.963158
"747369"	1233.545458	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+K"	38.963158
"1553801"	437.157258	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+K"	38.963158
"308786"	418.179317	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+H+K"	39.970434
"701583"	617.276367	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+H+K"	39.970434
"1457225"	219.082267	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H+K"	39.970434
"239629"	838.422026	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+ACN+H"	42.033826
"1215619"	440.227926	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+ACN+H"	42.033826
"1199138"	220.617601	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+ACN+2H"	43.041102
"191644"	841.35936	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+2Na-H"	44.97116
"634850"	1239.55346	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+2Na-H"	44.97116
"1141637"	443.16526	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2Na-H"	44.97116
"181646"	421.183318	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+2Na"	45.978436
"616833"	620.280368	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+2Na"	45.978436
"1121432"	222.086268	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2Na"	45.978436
"1411890"	148.393270666667	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H+2Na"	46.985712
"1440355"	445.206846	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H+HCOOH"	47.012746
"224583"	426.21634	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+3H2O+2H"	56.04448
"1514832"	459.25889	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+IsoProp+H"	61.06479
"415612"	429.170288	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+Na+K"	61.952376
"776604"	628.267338	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+Na+K"	61.952376
"1672936"	230.073238	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Na+K"	61.952376
"258361"	860.403968	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+ACN+Na"	64.015768
"1233255"	462.209868	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+ACN+Na"	64.015768
"1721784"	462.233393	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+NH4+HCOOH"	64.039293
"1188231"	155.720584666667	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+3Na"	68.967654
"1657397"	467.188788	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Na+HCOOH"	68.994688
"166446"	873.30724	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+2K-H"	76.91904
"608195"	1271.50134	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+2K-H"	76.91904
"1095989"	475.11314	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2K-H"	76.91904
"150617"	437.157258	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"2M+2K"	77.926316
"594556"	636.254308	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"3M+2K"	77.926316
"1082349"	238.060208	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2K"	77.926316
"1106809"	477.127692	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2K+H"	78.933592
"1345382"	477.215307	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+DMSO+H"	79.021207
"1019380"	481.254476	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2ACN+H"	83.060376
"1534224"	482.248108	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+IsoProp+Na+H"	84.054008
"1001764"	241.130876	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+2ACN+2H"	84.067652
"1592986"	483.162728	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+K+HCOOH"	84.968628
"1426302"	513.194238	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+H+CF3COOH"	115.000138
"1157685"	261.644151	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+3ACN+2H"	125.094202
"1706141"	530.220785	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+NH4+CF3COOH"	132.026685
"1639607"	535.17618	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+Na+CF3COOH"	136.98208
"1577445"	551.15012	"C17659"	"Cinncassiol E"	"C20H30O8"	"398.1941"	"M+K+CF3COOH"	152.95602
"804531"	392.2927	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M"	0
"984624"	373.27431	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"70680"	260.521190666667	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"512427"	391.285424	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"892416"	129.756957333333	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"6616"	391.285424	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"448364"	587.431774	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"825070"	195.139074	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"88343"	783.578124	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"523528"	1175.870824	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"898291"	391.285424	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"51328"	800.604671	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"489794"	1192.897371	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"868692"	408.311971	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"33552"	805.560066	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"478347"	1197.852766	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"852868"	413.267366	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1623497"	413.267366	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"96380"	409.273763	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"538489"	605.420113	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"934199"	213.127413	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"271661"	819.554802	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"664080"	1211.847502	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1278670"	427.262102	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"19402"	821.534006	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"457747"	1213.826706	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"835668"	429.241306	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1556239"	429.241306	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"943516"	437.290894	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"363063"	829.583601	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"346585"	843.599251	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1493076"	451.306551	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"965159"	459.272851	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"111999"	427.262102	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"551441"	623.408452	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1024613"	231.115752	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1241761"	471.211585	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1305549"	473.267572	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1320852"	495.249529	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"919575"	505.278286	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1295187"	541.254964	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1370069"	357.280024	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1383191"	375.29	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"287252"	785.592676	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"675795"	1177.885376	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1353107"	393.299976	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"126358"	393.299976	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"571761"	589.446326	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1043842"	197.153626	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"211010"	262.535742666667	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"645830"	393.299976	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1163223"	131.771509333333	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"424916"	802.619223	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"786147"	1194.911923	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1684547"	410.326523	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"331732"	401.8132495	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"726349"	597.9595995	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1478709"	205.6668995	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"399950"	807.574618	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"764601"	1199.867318	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1611236"	415.281918	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"323461"	404.290947	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"715889"	600.437297	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1473350"	208.144597	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1057847"	139.098823333333	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1265722"	425.326186	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"382110"	823.548558	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"744199"	1215.841258	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1554276"	431.255858	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"308896"	412.277917	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"703873"	608.424267	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1455876"	216.131567	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"239010"	826.619226	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1215364"	434.326526	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1199246"	217.666901	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"191754"	829.55656	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"633137"	1221.84926	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1142840"	437.26386	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"176653"	415.281918	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"615848"	611.428268	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1119355"	219.135568	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1411270"	146.426137333333	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1440465"	439.305446	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"225786"	420.31494	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1514942"	453.35749	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"412442"	423.268888	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"774527"	619.415238	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1670858"	227.122538	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"258469"	848.601168	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1232272"	456.308468	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1720071"	456.331993	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1186518"	153.753451333333	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1657507"	461.287388	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"168378"	861.50444	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"608304"	1253.79714	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1092817"	469.21174	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"150727"	431.255858	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"593573"	627.402208	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1083552"	235.109508	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1106919"	471.226292	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1348772"	471.313907	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1018396"	475.353076	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1535427"	476.346708	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"1001874"	238.180176	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1593096"	477.261328	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1425319"	507.292838	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1156701"	258.693451	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1701877"	524.319385	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1639717"	529.27478	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1577555"	545.24872	"C17660"	"Isochenodeoxycholate;Isochenodeoxycholic acid;3beta7alpha-Dihydroxy-5beta-cholanic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"814118"	392.2927	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M"	0
"989677"	373.27431	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"74071"	260.521190666667	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"514724"	391.285424	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"895079"	129.756957333333	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"10007"	391.285424	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"453578"	587.431774	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"825182"	195.139074	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"88453"	783.578124	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"523638"	1175.870824	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"899254"	391.285424	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"51438"	800.604671	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"489905"	1192.897371	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"868802"	408.311971	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"32933"	805.560066	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"475177"	1197.852766	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"852978"	413.267366	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1623605"	413.267366	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"96855"	409.273763	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"535196"	605.420113	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"928473"	213.127413	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"271771"	819.554802	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"664191"	1211.847502	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1275863"	427.262102	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"19512"	821.534006	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"458343"	1213.826706	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"836510"	429.241306	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1557809"	429.241306	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"943874"	437.290894	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"362084"	829.583601	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"346940"	843.599251	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1493469"	451.306551	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"964176"	459.272851	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"111252"	427.262102	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"553738"	623.408452	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1024723"	231.115752	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1244303"	471.211585	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1307845"	473.267572	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1320966"	495.249529	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"918592"	505.278286	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1293111"	541.254964	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1369086"	357.280024	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1383539"	375.29	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"283466"	785.592676	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"676091"	1177.885376	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1357228"	393.299976	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"128293"	393.299976	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"571871"	589.446326	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1047234"	197.153626	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"207477"	262.535742666667	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"646305"	393.299976	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1164547"	131.771509333333	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"424456"	802.619223	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"785716"	1194.911923	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1683565"	410.326523	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"331113"	401.8132495	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"726459"	597.9595995	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1479911"	205.6668995	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"401155"	807.574618	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"767261"	1199.867318	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1608067"	415.281918	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"322478"	404.290947	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"720006"	600.437297	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1474190"	208.144597	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1061967"	139.098823333333	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1265833"	425.326186	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"382220"	823.548558	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"746496"	1215.841258	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1553656"	431.255858	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"305726"	412.277917	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"702525"	608.424267	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1458536"	216.131567	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"240578"	826.619226	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1215473"	434.326526	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1201542"	217.666901	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"192594"	829.55656	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"633977"	1221.84926	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1133107"	437.26386	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"177492"	415.281918	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"615959"	611.428268	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1117278"	219.135568	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1406272"	146.426137333333	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1432918"	439.305446	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"221520"	420.31494	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1511038"	453.35749	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"412546"	423.268888	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"773539"	619.415238	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1668778"	227.122538	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"255300"	848.601168	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1230193"	456.308468	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1721274"	456.331993	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1186628"	153.753451333333	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1657617"	461.287388	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"165571"	861.50444	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"609507"	1253.79714	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1092926"	469.21174	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"150837"	431.255858	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"594776"	627.402208	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1083541"	235.109508	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1111403"	471.226292	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1348882"	471.313907	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1018506"	475.353076	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1534444"	476.346708	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"1001984"	238.180176	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1595394"	477.261328	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1419960"	507.292838	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1153530"	258.693451	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1701987"	524.319385	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1639827"	529.27478	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1574384"	545.24872	"C17661"	"Isodeoxycholate;Isodeoxycholic acid;7alpha12alpha-Dihydroxy-5beta-cholanic acid;7alpha12alpha-Dihydroxycholanoic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"808031"	392.2927	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M"	0
"988124"	373.27431	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"77097"	260.521190666667	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"511553"	391.285424	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"895270"	129.756957333333	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"10117"	391.285424	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"454298"	587.431774	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"829301"	195.139074	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"88563"	783.578124	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"525935"	1175.870824	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"902644"	391.285424	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"52641"	800.604671	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"492203"	1192.897371	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"868913"	408.311971	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"33532"	805.560066	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"475286"	1197.852766	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"854181"	413.267366	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1624808"	413.267366	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"96600"	409.273763	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"537618"	605.420113	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"929069"	213.127413	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"267868"	819.554802	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"661379"	1211.847502	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1274514"	427.262102	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"18889"	821.534006	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"456626"	1213.826706	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"836255"	429.241306	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1557923"	429.241306	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"945079"	437.290894	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"362198"	829.583601	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"346812"	843.599251	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1494555"	451.306551	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"963192"	459.272851	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"111367"	427.262102	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"556035"	623.408452	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1024833"	231.115752	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1246600"	471.211585	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1309413"	473.267572	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1322169"	495.249529	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"921982"	505.278286	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1295408"	541.254964	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1372476"	357.280024	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1386692"	375.29	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"288565"	785.592676	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"677705"	1177.885376	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1358431"	393.299976	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"129132"	393.299976	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"575261"	589.446326	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1048437"	197.153626	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"209409"	262.535742666667	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"647144"	393.299976	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1167087"	131.771509333333	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"426349"	802.619223	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"787708"	1194.911923	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1685861"	410.326523	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"333046"	401.8132495	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"727662"	597.9595995	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1480751"	205.6668995	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"402358"	807.574618	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"767735"	1199.867318	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1607084"	415.281918	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"322588"	404.290947	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"720116"	600.437297	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1476611"	208.144597	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1059892"	139.098823333333	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1264851"	425.326186	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"381237"	823.548558	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"746606"	1215.841258	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1553037"	431.255858	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"305836"	412.277917	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"702635"	608.424267	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1455368"	216.131567	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"247250"	826.619226	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1215584"	434.326526	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1201654"	217.666901	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"195619"	829.55656	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"634450"	1221.84926	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1134311"	437.26386	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"174446"	415.281918	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"614979"	611.428268	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1121761"	219.135568	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1405289"	146.426137333333	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1433028"	439.305446	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"222355"	420.31494	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1512604"	453.35749	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"414841"	423.268888	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"775471"	619.415238	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1670345"	227.122538	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"256504"	848.601168	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1232490"	456.308468	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1723570"	456.331993	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1190747"	153.753451333333	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1659912"	461.287388	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"167867"	861.50444	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"607431"	1253.79714	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1095222"	469.21174	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"152040"	431.255858	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"596107"	627.402208	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1082559"	235.109508	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1113701"	471.226292	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1350863"	471.313907	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1018619"	475.353076	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1539054"	476.346708	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"1004773"	238.180176	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1597692"	477.261328	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1426633"	507.292838	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1155827"	258.693451	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1704284"	524.319385	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1639937"	529.27478	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1577775"	545.24872	"C17662"	"Isoursodeoxycholate;Isoursodeoxycholic acid;3beta7beta-Dihydroxy-5beta-cholanoic acid;3beta7beta-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"804861"	178.0994	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M"	0
"978393"	159.08101	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"74291"	117.725657333333	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"508383"	177.092124	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"889466"	58.3591906666667	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"6947"	177.092124	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"449788"	266.141824	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"822121"	88.042424	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"82111"	355.191524	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"523859"	533.290924	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"896679"	177.092124	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"47568"	372.218071	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"487444"	550.317471	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"865014"	194.118671	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"31623"	377.173466	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"475396"	555.272866	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"859758"	199.074066	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1623825"	199.074066	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"97441"	195.080463	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"534570"	284.130163	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"927312"	106.030763	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"268339"	391.168202	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"661853"	569.267602	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1274622"	213.068802	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"18273"	393.147406	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"455752"	571.246806	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"834903"	215.048006	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1556941"	215.048006	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"943730"	223.097594	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"362669"	401.197001	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"346923"	415.212651	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1493694"	237.113251	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"961116"	245.079551	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"110343"	213.068802	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"556145"	302.118502	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1021663"	124.019102	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1246710"	257.018285	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1309160"	259.074272	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1324468"	281.056229	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"918812"	291.084986	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1290052"	327.061664	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1370400"	143.086724	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1385709"	161.0967	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"283408"	357.206076	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"676842"	535.305476	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1353068"	179.106676	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"126569"	179.106676	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"570267"	268.156376	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1046361"	90.056976	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"208426"	119.740209333333	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"646525"	179.106676	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1165740"	60.3737426666667	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"426459"	374.232623	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"789639"	552.332023	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1682690"	196.133223	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"332063"	187.6199495	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"727772"	276.6696495	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1479039"	98.5702495	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"401373"	379.188018	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"766751"	557.287418	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1606101"	201.088618	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"319418"	190.097647	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"720226"	279.147347	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1476683"	101.047947	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1063283"	67.7010566666667	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1266054"	211.132886	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"383534"	395.161958	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"745623"	573.261358	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1552054"	217.062558	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"305946"	198.084617	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"702745"	287.134317	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1453291"	109.034917	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"245171"	398.232626	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1214601"	220.133226	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1196661"	110.570251	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"193543"	401.16996	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"630551"	579.26936	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1134786"	223.07056	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"177714"	201.088618	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"618370"	290.138318	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1118224"	112.038918	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1405399"	75.0283706666667	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1433138"	225.112146	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"221130"	206.12164	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1511622"	239.16419	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"410943"	209.075588	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"773396"	298.125288	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1667543"	120.025888	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"255521"	420.214568	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1230415"	242.115168	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1719306"	242.138693	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1183567"	82.3556846666667	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1657834"	247.094088	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"160320"	433.11784	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"607537"	611.21724	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1088768"	255.01844	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"153243"	217.062558	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"596949"	306.112258	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1082790"	128.012858	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1115272"	257.032992	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1350564"	257.120607	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1018727"	261.159776	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1539165"	262.153408	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"1004883"	131.083526	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1597801"	263.068028	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1425650"	293.099538	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1153750"	151.596801	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1704394"	310.126085	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1640047"	315.08148	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1577885"	331.05542	"C17663"	"3-Phenylpropyl acetate;Hydrocinnamyl acetate"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"804971"	392.2927	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M"	0
"978503"	373.27431	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"74037"	260.521190666667	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"508493"	391.285424	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"889576"	129.756957333333	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"7057"	391.285424	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"450991"	587.431774	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"823324"	195.139074	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"82221"	783.578124	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"523969"	1175.870824	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"898246"	391.285424	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"47880"	800.604671	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"487680"	1192.897371	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"866946"	408.311971	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"31883"	805.560066	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"475870"	1197.852766	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"859868"	413.267366	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1621382"	413.267366	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"97551"	409.273763	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"536744"	605.420113	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"928801"	213.127413	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"269178"	819.554802	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"661234"	1211.847502	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1275824"	427.262102	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"18745"	821.534006	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"457574"	1213.826706	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"835742"	429.241306	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1559230"	429.241306	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"945293"	437.290894	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"362412"	829.583601	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"347390"	843.599251	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1495869"	451.306551	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"962319"	459.272851	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"113411"	427.262102	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"556255"	623.408452	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1022865"	231.115752	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1246820"	471.211585	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1309270"	473.267572	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1322391"	495.249529	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"918922"	505.278286	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1291255"	541.254964	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1367631"	357.280024	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1384725"	375.29	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"283559"	785.592676	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"679018"	1177.885376	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1356458"	393.299976	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"127163"	393.299976	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"571106"	589.446326	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1039907"	197.153626	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"209993"	262.535742666667	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"645176"	393.299976	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1165121"	131.771509333333	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"428391"	802.619223	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"787929"	1194.911923	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1684260"	410.326523	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"335454"	401.8132495	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"727153"	597.9595995	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1479148"	205.6668995	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"399296"	807.574618	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"760300"	1199.867318	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1609489"	415.281918	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"322804"	404.290947	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"718513"	600.437297	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1475250"	208.144597	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1062299"	139.098823333333	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1266162"	425.326186	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"384737"	823.548558	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"746826"	1215.841258	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1554350"	431.255858	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"304963"	412.277917	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"703948"	608.424267	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1456672"	216.131567	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"246374"	826.619226	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1220178"	434.326526	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1197500"	217.666901	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"191466"	829.55656	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"631390"	1221.84926	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1134533"	437.26386	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"176730"	415.281918	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"615200"	611.428268	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1116515"	219.135568	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1405509"	146.426137333333	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1434342"	439.305446	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"221849"	420.31494	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1510639"	453.35749	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"411417"	423.268888	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"773871"	619.415238	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1669111"	227.122538	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"255630"	848.601168	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1231618"	456.308468	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1720144"	456.331993	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1183677"	153.753451333333	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1656850"	461.287388	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"162616"	861.50444	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"603274"	1253.79714	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1086691"	469.21174	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"155297"	431.255858	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"596570"	627.402208	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1078525"	235.109508	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1113921"	471.226292	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1350673"	471.313907	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1019931"	475.353076	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1538667"	476.346708	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"1005358"	238.180176	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1597911"	477.261328	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1427946"	507.292838	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1154953"	258.693451	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1705597"	524.319385	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1640157"	529.27478	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1577995"	545.24872	"C17664"	"Allochenodeoxycholate;Allochenodeoxycholic acid;3alpha7alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"810549"	178.0994	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M"	0
"987361"	159.08101	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"77066"	117.725657333333	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"516987"	177.092124	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"891873"	58.3591906666667	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"14459"	177.092124	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"447821"	266.141824	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"822340"	88.042424	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"81238"	355.191524	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"522986"	533.290924	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"898356"	177.092124	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"48599"	372.218071	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"488519"	550.317471	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"865598"	194.118671	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"32891"	377.173466	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"475980"	555.272866	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"859978"	199.074066	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1622221"	199.074066	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"97661"	195.080463	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"536491"	284.130163	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"928182"	106.030763	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"269289"	391.168202	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"663531"	569.267602	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1275935"	213.068802	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"19585"	393.147406	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"459872"	571.246806	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"836218"	215.048006	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1556430"	215.048006	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"948323"	223.097594	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"364346"	401.197001	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"347868"	415.212651	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1497072"	237.113251	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"961335"	245.079551	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"113521"	213.068802	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"551991"	302.118502	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1025160"	124.019102	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1251304"	257.018285	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1313754"	259.074272	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1325780"	281.056229	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"915751"	291.084986	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1293553"	327.061664	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1368432"	143.086724	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1384105"	161.0967	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"284521"	357.206076	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"680222"	535.305476	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1360945"	179.106676	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"128732"	179.106676	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"567207"	268.156376	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1038195"	90.056976	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"207186"	119.740209333333	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"645285"	179.106676	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1164865"	60.3737426666667	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"427771"	374.232623	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"789132"	552.332023	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1684731"	196.133223	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"332280"	187.6199495	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"726533"	276.6696495	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1479622"	98.5702495	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"400499"	379.188018	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"760410"	557.287418	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1608506"	201.088618	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"324007"	190.097647	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"719352"	279.147347	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1475360"	101.047947	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1065689"	67.7010566666667	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1267002"	211.132886	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"384847"	395.161958	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"748030"	573.261358	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1553732"	217.062558	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"309811"	198.084617	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"705881"	287.134317	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1459337"	109.034917	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"244301"	398.232626	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1220288"	220.133226	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1208181"	110.570251	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"193762"	401.16996	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"632228"	579.26936	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1133546"	223.07056	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"175014"	201.088618	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"618591"	290.138318	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1122092"	112.038918	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1405255"	75.0283706666667	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1433359"	225.112146	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"220258"	206.12164	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1509656"	239.16419	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"414082"	209.075588	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"773984"	298.125288	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1669223"	120.025888	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"260846"	420.214568	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1234647"	242.115168	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1717341"	242.138693	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1182694"	82.3556846666667	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1658055"	247.094088	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"164917"	433.11784	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"603380"	611.21724	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1088984"	255.01844	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"142150"	217.062558	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"596802"	306.112258	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1081915"	128.012858	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1114278"	257.032992	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1350663"	257.120607	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1019679"	261.159776	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1538047"	262.153408	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"1005511"	131.083526	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1601913"	263.068028	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1425869"	293.099538	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1160531"	151.596801	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1708987"	310.126085	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1636987"	315.08148	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1578105"	331.05542	"C17665"	"2-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"811752"	178.0994	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M"	0
"978723"	159.08101	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"77902"	117.725657333333	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"518272"	177.092124	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"889796"	58.3591906666667	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"13838"	177.092124	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"449024"	266.141824	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"822450"	88.042424	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"81348"	355.191524	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"526376"	533.290924	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"897617"	177.092124	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"48832"	372.218071	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"492645"	550.317471	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"868260"	194.118671	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"33973"	377.173466	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"475723"	555.272866	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"854621"	199.074066	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1623423"	199.074066	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"101778"	195.080463	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"542431"	284.130163	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"928171"	106.030763	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"269519"	391.168202	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"664372"	569.267602	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1275683"	213.068802	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"20790"	393.147406	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"458890"	571.246806	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"835965"	215.048006	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1558364"	215.048006	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"951713"	223.097594	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"363003"	401.197001	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"355636"	415.212651	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1494997"	237.113251	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"963632"	245.079551	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"112538"	213.068802	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"552829"	302.118502	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1025271"	124.019102	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1249227"	257.018285	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1311677"	259.074272	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1329172"	281.056229	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"915861"	291.084986	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1293660"	327.061664	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1371823"	143.086724	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1386037"	161.0967	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"287911"	357.206076	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"682518"	535.305476	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1361054"	179.106676	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"131757"	179.106676	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"568045"	268.156376	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1039032"	90.056976	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"208387"	119.740209333333	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"647217"	179.106676	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1165340"	60.3737426666667	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"428246"	374.232623	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"789605"	552.332023	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1688126"	196.133223	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"336769"	187.6199495	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"728097"	276.6696495	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1481915"	98.5702495	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"401702"	379.188018	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"764892"	557.287418	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1612988"	201.088618	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"326303"	190.097647	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"719462"	279.147347	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1475468"	101.047947	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1067620"	67.7010566666667	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1269661"	211.132886	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"383863"	395.161958	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"744856"	573.261358	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1550192"	217.062558	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"310285"	198.084617	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"706520"	287.134317	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1460907"	109.034917	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"242224"	398.232626	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1222586"	220.133226	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1205375"	110.570251	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"192050"	401.16996	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"630515"	579.26936	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1132195"	223.07056	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"174395"	201.088618	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"618701"	290.138318	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1118554"	112.038918	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1399161"	75.0283706666667	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1432003"	225.112146	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"221697"	206.12164	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1511219"	239.16419	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"411269"	209.075588	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"771535"	298.125288	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1667143"	120.025888	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"254392"	420.214568	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1231110"	242.115168	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1716719"	242.138693	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1182802"	82.3556846666667	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1657072"	247.094088	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"160652"	433.11784	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"602397"	611.21724	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1090187"	255.01844	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"142179"	217.062558	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"592046"	306.112258	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1080932"	128.012858	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1108671"	257.032992	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1349922"	257.120607	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1020519"	261.159776	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1539008"	262.153408	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"1005213"	131.083526	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1602144"	263.068028	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1425979"	293.099538	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1158454"	151.596801	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1712013"	310.126085	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1637097"	315.08148	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1578215"	331.05542	"C17666"	"1-Phenylpropyl acetate"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"811862"	408.2876	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M"	0
"978833"	389.26921	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"78554"	271.184457333333	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"516843"	407.280324	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"892093"	135.088590666667	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"11762"	407.280324	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"446948"	611.424124	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"821467"	203.136524	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"82552"	815.567924	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"526486"	1223.855524	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"896997"	407.280324	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"49186"	832.594471	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"492755"	1240.882071	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"870557"	424.306871	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"35541"	837.549866	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"475834"	1245.837466	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"851451"	429.262266	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1624263"	429.262266	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"105168"	425.268663	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"542541"	629.412463	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"928040"	221.124863	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"270238"	851.544602	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"664847"	1259.832202	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1275065"	443.257002	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"19808"	853.523806	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"459365"	1261.811406	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"836076"	445.236206	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1557376"	445.236206	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"949636"	453.285794	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"363478"	861.573401	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"348456"	875.589051	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1494376"	467.301451	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"960458"	475.267751	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"112648"	443.257002	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"552575"	647.400802	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1023923"	239.113202	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1248244"	487.206485	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1312880"	489.262472	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1331469"	511.244429	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"917064"	521.273186	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1294863"	557.249864	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1371933"	373.274924	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1383597"	391.2849	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"285470"	817.582476	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"682628"	1225.870076	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1362259"	409.294876	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"130775"	409.294876	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"566695"	613.438676	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1037679"	205.151076	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"206675"	273.199009333333	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"646961"	409.294876	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1165814"	137.103142666667	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"428355"	834.609023	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"787891"	1242.896623	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1688600"	426.321423	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"339064"	417.8081495	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"723465"	621.9519495	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1479474"	213.6643495	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"394158"	839.564418	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"761723"	1247.852018	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1610912"	431.276818	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"322041"	420.285847	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"719572"	624.429647	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1474849"	216.142047	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1067001"	144.430456666667	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1268678"	441.321086	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"386160"	855.538358	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"746060"	1263.825958	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1545562"	447.250758	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"307476"	428.272817	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"702091"	632.416617	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1459921"	224.129017	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"251002"	858.609026	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1225291"	450.321426	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1208645"	225.664351	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"199450"	861.54636	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"634639"	1269.83396	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1134864"	453.25876	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"175238"	431.276818	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"622091"	635.420618	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1116719"	227.133018	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1403653"	151.757770666667	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1430903"	455.300346	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"220716"	436.30984	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1508819"	469.35239	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"409073"	439.263788	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"773104"	643.407588	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1667249"	235.119988	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"253406"	880.590968	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1230129"	472.303368	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1718652"	472.326893	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1186200"	159.085084666667	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1657549"	477.282288	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"162950"	893.49424	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"602510"	1301.78184	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1086048"	485.20664	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"142861"	447.250758	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"592156"	651.394558	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1079949"	243.106958	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1109875"	487.221192	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1347356"	487.308807	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1020631"	491.347976	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1539364"	492.341608	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"1005202"	246.177626	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1601523"	493.256228	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1426089"	523.287738	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1158564"	266.690901	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1709207"	540.314285	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1637207"	545.26968	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1578325"	561.24362	"C17667"	"Avicholate;Avicholic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"814159"	408.2876	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M"	0
"982223"	389.26921	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"67186"	271.184457333333	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"513308"	407.280324	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"892203"	135.088590666667	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"12965"	407.280324	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"447058"	611.424124	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"820484"	203.136524	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"81932"	815.567924	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"523316"	1223.855524	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"899294"	407.280324	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"55492"	832.594471	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"493958"	1240.882071	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"867387"	424.306871	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"33586"	837.549866	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"473755"	1245.837466	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"857029"	429.262266	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1620726"	429.262266	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"99811"	425.268663	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"539005"	629.412463	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"928149"	221.124863	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"268527"	851.544602	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"661674"	1259.832202	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1277362"	443.257002	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"22105"	853.523806	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"456317"	1261.811406	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"835093"	445.236206	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1565146"	445.236206	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"949747"	453.285794	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"363591"	861.573401	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"349661"	875.589051	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1494122"	467.301451	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"962755"	475.267751	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"113852"	443.257002	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"553413"	647.400802	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1026586"	239.113202	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1249447"	487.206485	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1311897"	489.262472	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1331579"	511.244429	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"916081"	521.273186	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1292787"	557.249864	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1373135"	373.274924	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1384074"	391.2849	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"285945"	817.582476	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"681645"	1225.870076	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1362369"	409.294876	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"130884"	409.294876	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"567537"	613.438676	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1037789"	205.151076	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"206421"	273.199009333333	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"647800"	409.294876	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1166289"	137.103142666667	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"428101"	834.609023	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"790554"	1242.896623	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1686887"	426.321423	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"339177"	417.8081495	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"724306"	621.9519495	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1479949"	213.6643495	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"393294"	839.564418	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"764018"	1247.852018	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1608832"	431.276818	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"321057"	420.285847	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"721870"	624.429647	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1476419"	216.142047	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1067598"	144.430456666667	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1267694"	441.321086	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"388456"	855.538358	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"748358"	1263.825958	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1547131"	447.250758	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"305400"	428.272817	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"702931"	632.416617	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1460031"	224.129017	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"250464"	858.609026	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1224628"	450.321426	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1206326"	225.664351	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"199560"	861.54636	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"633655"	1269.83396	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1134245"	453.25876	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"175348"	431.276818	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"625117"	635.420618	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1119144"	227.133018	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1400847"	151.757770666667	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1429963"	455.300346	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"220705"	436.30984	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1512904"	469.35239	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"411133"	439.263788	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"770784"	643.407588	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1666992"	235.119988	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"253149"	880.590968	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1228416"	472.303368	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1714387"	472.326893	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1183027"	159.085084666667	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1652919"	477.282288	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"160144"	893.49424	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"602620"	1301.78184	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1085063"	485.20664	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"146130"	447.250758	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"590079"	651.394558	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1077871"	243.106958	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1108891"	487.221192	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1346372"	487.308807	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1020984"	491.347976	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1539775"	492.341608	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"1005313"	246.177626	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1602121"	493.256228	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1426200"	523.287738	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1160861"	266.690901	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1709317"	540.314285	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1638410"	545.26968	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1578435"	561.24362	"C17668"	"Haemulcholate;Hemulcholic acid;3alpha7alpha22-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"812082"	358.1053	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M"	0
"979053"	339.08691	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-H2O-H"	-19.01839
"65109"	237.729590666667	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M-3H"	-3.021828
"514512"	357.098024	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M-3H"	-3.021828
"884659"	118.361157333333	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-3H"	-3.021828
"11981"	357.098024	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M-2H"	-2.014552
"447168"	536.150674	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M-2H"	-2.014552
"819501"	178.045374	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-2H"	-2.014552
"80949"	715.203324	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M-H"	-1.007276
"523426"	1073.308624	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M-H"	-1.007276
"899769"	357.098024	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-H"	-1.007276
"55602"	732.229871	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M-2H+NH4"	16.019271
"494068"	1090.335171	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M-2H+NH4"	16.019271
"867861"	374.124571	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-2H+NH4"	16.019271
"31993"	737.185266	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M-2H+Na"	20.974666
"474230"	1095.290566	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M-2H+Na"	20.974666
"857139"	379.079966	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-2H+Na"	20.974666
"1620472"	379.079966	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Na-2H"	20.974666
"99192"	375.086363	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M-H+Cl"	33.962126
"540574"	554.139013	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M-H+Cl"	33.962126
"927646"	196.033713	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-H+Cl"	33.962126
"267907"	751.180002	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+Cl"	34.969402
"661904"	1109.285302	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+Cl"	34.969402
"1276015"	393.074702	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Cl"	34.969402
"20028"	753.159206	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M-2H+K"	36.948606
"457399"	1111.264506	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M-2H+K"	36.948606
"834474"	395.053906	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-2H+K"	36.948606
"1556629"	395.053906	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+K-2H"	36.948606
"947670"	403.103494	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-H+HCOOH"	44.998194
"365887"	761.208801	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+HCOOH-H"	44.998201
"346855"	775.224451	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+Hac-H"	59.013851
"1493743"	417.119151	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Hac-H"	59.013851
"961772"	425.085451	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-H+NaCOOH"	66.980151
"114326"	393.074702	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+2Cl"	69.938804
"553156"	572.127352	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+2Cl"	69.938804
"1026696"	214.022052	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2Cl"	69.938804
"1246277"	437.024185	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Br"	78.918885
"1310913"	439.080172	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Cl+HCOOH"	80.974872
"1327316"	461.062129	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Cl+NaCOOH"	102.956829
"916191"	471.090886	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M-H+CF3COOH"	112.985586
"1293991"	507.067564	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Cl+CF3COOH"	148.962264
"1371059"	323.092624	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H-2H2O"	-35.012676
"1386369"	341.1026	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H-H2O"	-17.0027
"287149"	717.217876	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+H"	1.007276
"683942"	1075.323176	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+H"	1.007276
"1360292"	359.112576	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H"	1.007276
"132083"	359.112576	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+2H"	2.014552
"568375"	538.165226	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+2H"	2.014552
"1037901"	180.059926	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2H"	2.014552
"206530"	239.744142666667	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+3H"	3.021828
"647545"	359.112576	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+3H"	3.021828
"1166034"	120.375709333333	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+3H"	3.021828
"426752"	734.244423	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+NH4"	18.033823
"788114"	1092.349723	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+NH4"	18.033823
"1686998"	376.139123	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+NH4"	18.033823
"341475"	367.6258495	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+H+NH4"	19.041099
"723809"	546.6784995	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+H+NH4"	19.041099
"1479332"	188.5731995	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H+NH4"	19.041099
"393441"	739.199818	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+Na"	22.989218
"759755"	1097.305118	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+Na"	22.989218
"1604933"	381.094518	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Na"	22.989218
"317158"	370.103547	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+H+Na"	23.996494
"718701"	549.156197	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+H+Na"	23.996494
"1468507"	191.050897	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H+Na"	23.996494
"1065400"	127.703023333333	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2H+Na"	25.00377
"1265617"	391.138786	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+CH3OH+H"	33.033486
"385286"	755.173758	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+K"	38.963158
"748468"	1113.279058	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+K"	38.963158
"1546148"	397.068458	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+K"	38.963158
"301866"	378.090517	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+H+K"	39.970434
"705837"	557.143167	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+H+K"	39.970434
"1456862"	199.037867	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H+K"	39.970434
"250449"	758.244426	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+ACN+H"	42.033826
"1224984"	400.139126	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+ACN+H"	42.033826
"1208987"	200.573201	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+ACN+2H"	43.041102
"202584"	761.18176	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+2Na-H"	44.97116
"641054"	1119.28706	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+2Na-H"	44.97116
"1137271"	403.07646	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2Na-H"	44.97116
"177281"	381.094518	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+2Na"	45.978436
"623041"	560.147168	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+2Na"	45.978436
"1119254"	202.041868	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2Na"	45.978436
"1401686"	135.030337333333	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H+2Na"	46.985712
"1430024"	405.118046	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H+HCOOH"	47.012746
"220451"	386.12754	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+3H2O+2H"	56.04448
"1511192"	419.17009	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+IsoProp+H"	61.06479
"409055"	389.081488	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+Na+K"	61.952376
"771137"	568.134138	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+Na+K"	61.952376
"1667832"	210.028838	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Na+K"	61.952376
"253259"	780.226368	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+ACN+Na"	64.015768
"1226091"	422.121068	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+ACN+Na"	64.015768
"1715956"	422.144593	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+NH4+HCOOH"	64.039293
"1183501"	142.357651333333	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+3Na"	68.967654
"1652301"	427.099988	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Na+HCOOH"	68.994688
"160983"	793.12964	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+2K-H"	76.91904
"602730"	1151.23494	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+2K-H"	76.91904
"1085781"	435.02434	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2K-H"	76.91904
"146240"	397.068458	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"2M+2K"	77.926316
"591280"	576.121108	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"3M+2K"	77.926316
"1077981"	218.015808	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2K"	77.926316
"1111187"	437.038892	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2K+H"	78.933592
"1344294"	437.126507	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+DMSO+H"	79.021207
"1021135"	441.165676	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2ACN+H"	83.060376
"1539670"	442.159308	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+IsoProp+Na+H"	84.054008
"1005056"	221.086476	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+2ACN+2H"	84.067652
"1602472"	443.073928	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+K+HCOOH"	84.968628
"1427403"	473.105438	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+H+CF3COOH"	115.000138
"1159878"	241.599751	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+3ACN+2H"	125.094202
"1706147"	490.131985	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+NH4+CF3COOH"	132.026685
"1638520"	495.08738	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+Na+CF3COOH"	136.98208
"1578545"	511.06132	"C17669"	"Chryso-obtusin"	"C19H18O7"	"358.1053"	"M+K+CF3COOH"	152.95602
"812192"	330.074	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M"	0
"979163"	311.05561	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-H2O-H"	-19.01839
"65219"	219.042057333333	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M-3H"	-3.021828
"515715"	329.066724	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M-3H"	-3.021828
"883675"	109.017390666667	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-3H"	-3.021828
"6624"	329.066724	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M-2H"	-2.014552
"441079"	494.103724	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M-2H"	-2.014552
"818147"	164.029724	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-2H"	-2.014552
"80693"	659.140724	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M-H"	-1.007276
"520620"	989.214724	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M-H"	-1.007276
"896961"	329.066724	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-H"	-1.007276
"48662"	676.167271	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M-2H+NH4"	16.019271
"490898"	1006.241271	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M-2H+NH4"	16.019271
"866634"	346.093271	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-2H+NH4"	16.019271
"32465"	681.122666	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M-2H+Na"	20.974666
"475069"	1011.196666	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M-2H+Na"	20.974666
"850196"	351.048666	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-2H+Na"	20.974666
"1620945"	351.048666	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Na-2H"	20.974666
"100031"	347.055063	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M-H+Cl"	33.962126
"538861"	512.092063	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M-H+Cl"	33.962126
"928366"	182.018063	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-H+Cl"	33.962126
"268382"	695.117402	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+Cl"	34.969402
"661531"	1025.191402	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+Cl"	34.969402
"1276489"	365.043402	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Cl"	34.969402
"17222"	697.096606	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M-2H+K"	36.948606
"457510"	1027.170606	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M-2H+K"	36.948606
"833854"	367.022606	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-2H+K"	36.948606
"1558804"	367.022606	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+K-2H"	36.948606
"945593"	375.072194	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-H+HCOOH"	44.998194
"364903"	705.146201	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+HCOOH-H"	44.998201
"346722"	719.161851	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+Hac-H"	59.013851
"1493851"	389.087851	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Hac-H"	59.013851
"962974"	397.054151	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-H+NaCOOH"	66.980151
"115163"	365.043402	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+2Cl"	69.938804
"553631"	530.080402	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+2Cl"	69.938804
"1026806"	200.006402	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2Cl"	69.938804
"1243471"	408.992885	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Br"	78.918885
"1307743"	411.048872	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Cl+HCOOH"	80.974872
"1324145"	433.030829	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Cl+NaCOOH"	102.956829
"916301"	443.059586	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M-H+CF3COOH"	112.985586
"1291915"	479.036264	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Cl+CF3COOH"	148.962264
"1371169"	295.061324	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H-2H2O"	-35.012676
"1385749"	313.0713	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H-H2O"	-17.0027
"285435"	661.155276	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+H"	1.007276
"682959"	991.229276	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+H"	1.007276
"1357121"	331.081276	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H"	1.007276
"130010"	331.081276	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+2H"	2.014552
"567392"	496.118276	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+2H"	2.014552
"1038498"	166.044276	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2H"	2.014552
"207005"	221.056609333333	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+3H"	3.021828
"646561"	331.081276	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+3H"	3.021828
"1164200"	111.031942666667	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+3H"	3.021828
"425648"	678.181823	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+NH4"	18.033823
"790047"	1008.255823	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+NH4"	18.033823
"1687108"	348.107823	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+NH4"	18.033823
"337210"	339.5945495	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+H+NH4"	19.041099
"725257"	504.6315495	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+H+NH4"	19.041099
"1479806"	174.5575495	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H+NH4"	19.041099
"393757"	683.137218	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+Na"	22.989218
"757678"	1013.211218	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+Na"	22.989218
"1606865"	353.063218	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Na"	22.989218
"320183"	342.072247	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+H+Na"	23.996494
"719174"	507.109247	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+H+Na"	23.996494
"1470439"	177.035247	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H+Na"	23.996494
"1065145"	118.359256666667	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2H+Na"	25.00377
"1261353"	363.107486	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+CH3OH+H"	33.033486
"384302"	699.111158	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+K"	38.963158
"748578"	1029.185158	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+K"	38.963158
"1544071"	369.037158	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+K"	38.963158
"304525"	350.059217	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+H+K"	39.970434
"694758"	515.096217	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+H+K"	39.970434
"1458429"	185.022217	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H+K"	39.970434
"250074"	702.181826	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+ACN+H"	42.033826
"1223393"	372.107826	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+ACN+H"	42.033826
"1208000"	186.557551	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+ACN+2H"	43.041102
"203301"	705.11916	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+2Na-H"	44.97116
"641164"	1035.19316	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+2Na-H"	44.97116
"1137381"	375.04516	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2Na-H"	44.97116
"174111"	353.063218	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+2Na"	45.978436
"619141"	518.100218	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+2Na"	45.978436
"1116159"	188.026218	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2Na"	45.978436
"1399604"	125.686570666667	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H+2Na"	46.985712
"1430172"	377.086746	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H+HCOOH"	47.012746
"220234"	358.09624	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+3H2O+2H"	56.04448
"1508662"	391.13879	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+IsoProp+H"	61.06479
"410260"	361.050188	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+Na+K"	61.952376
"770640"	526.087188	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+Na+K"	61.952376
"1666042"	196.013188	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Na+K"	61.952376
"251793"	724.163768	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+ACN+Na"	64.015768
"1227173"	394.089768	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+ACN+Na"	64.015768
"1714609"	394.113293	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+NH4+HCOOH"	64.039293
"1182518"	133.013884666667	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+3Na"	68.967654
"1653504"	399.068688	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Na+HCOOH"	68.994688
"158178"	737.06704	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+2K-H"	76.91904
"602840"	1067.14104	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+2K-H"	76.91904
"1086012"	406.99304	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2K-H"	76.91904
"144164"	369.037158	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"2M+2K"	77.926316
"591390"	534.074158	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"3M+2K"	77.926316
"1076998"	204.000158	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2K"	77.926316
"1109111"	409.007592	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2K+H"	78.933592
"1345497"	409.095207	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+DMSO+H"	79.021207
"1020597"	413.134376	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2ACN+H"	83.060376
"1539789"	414.128008	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+IsoProp+Na+H"	84.054008
"1004441"	207.070826	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+2ACN+2H"	84.067652
"1600759"	415.042628	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+K+HCOOH"	84.968628
"1427513"	445.074138	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+H+CF3COOH"	115.000138
"1161081"	227.584101	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+3ACN+2H"	125.094202
"1706257"	462.100685	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+NH4+CF3COOH"	132.026685
"1638630"	467.05608	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+Na+CF3COOH"	136.98208
"1578655"	483.03002	"C17670"	"Aurantio-obtusin"	"C17H14O7"	"330.074"	"M+K+CF3COOH"	152.95602
"811209"	258.0528	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M"	0
"979273"	239.03441	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"65329"	171.027924	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"513639"	257.045524	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"885972"	85.010324	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"6734"	257.045524	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"441189"	386.071924	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"820450"	128.019124	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"81899"	515.098324	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"519273"	773.151124	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"899261"	257.045524	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"48531"	532.124871	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"489185"	790.177671	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"865892"	274.072071	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"31970"	537.080266	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"473719"	795.133066	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"848965"	279.027466	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1619472"	279.027466	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"100144"	275.033863	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"539703"	404.060263	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"931756"	146.007463	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"269951"	551.075002	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"662371"	809.127802	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1277692"	293.022202	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"17696"	553.054206	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"457255"	811.107006	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"833477"	295.001406	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1560008"	295.001406	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"947891"	303.050994	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"366107"	561.103801	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"351082"	575.119451	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1495540"	317.066651	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"961991"	325.032951	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"113450"	293.022202	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"553376"	422.048602	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1026186"	163.995802	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1243576"	336.971685	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1307122"	339.027672	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1323159"	361.009629	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"914224"	371.038386	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1290932"	407.015064	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1369090"	223.040124	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1384765"	241.0501	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"286272"	517.112876	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"679789"	775.165676	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1353949"	259.060076	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"128295"	259.060076	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"567499"	388.086476	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1038243"	130.033676	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"205292"	173.042476	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"644484"	259.060076	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1163457"	87.024876	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"425757"	534.139423	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"787480"	792.192223	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1683935"	276.086623	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"334038"	267.5733495	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"729740"	396.5997495	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1478454"	138.5469495	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"392883"	539.094818	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"759974"	797.147618	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1608068"	281.042018	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"321387"	270.051047	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"719282"	399.077447	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1472006"	141.024647	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1065253"	94.35219	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1259640"	291.086286	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"380039"	555.068758	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"743219"	813.121558	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1545275"	297.015958	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"304635"	278.038017	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"693410"	407.064417	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1459268"	149.011617	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"250062"	558.139426	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1224103"	300.086626	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1208110"	150.546951	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"202072"	561.07676	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"639445"	819.12956	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1137491"	303.02396	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"180780"	281.042018	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"618157"	410.068418	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1116556"	152.015618	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1398861"	101.679504	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1430083"	305.065546	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"220796"	286.07504	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1508736"	319.11759	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"410370"	289.028988	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"770385"	418.055388	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1666598"	160.002588	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"253848"	580.121368	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1227286"	322.068568	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1715083"	322.092093	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1185544"	109.006818	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1655436"	327.047488	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"159017"	593.02464	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"602950"	851.07744	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1086366"	334.97184	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"144274"	297.015958	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"596117"	426.042358	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1078198"	167.989558	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1112501"	336.986392	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1347793"	337.074007	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1020702"	341.113176	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1537611"	342.106808	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"1005032"	171.060226	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1599774"	343.021428	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1426529"	373.052938	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1159005"	191.573501	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1706367"	390.079485	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1638740"	395.03488	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1578765"	411.00882	"C17671"	"Norrubrofusarin"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"809132"	246.0892	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M"	0
"976103"	227.07081	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-H2O-H"	-19.01839
"72000"	163.052190666667	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M-3H"	-3.021828
"514843"	245.081924	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M-3H"	-3.021828
"889363"	81.0224573333333	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-3H"	-3.021828
"13405"	245.081924	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M-2H"	-2.014552
"443123"	368.126524	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M-2H"	-2.014552
"822018"	122.037324	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-2H"	-2.014552
"83105"	491.171124	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M-H"	-1.007276
"519868"	737.260324	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M-H"	-1.007276
"900466"	245.081924	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-H"	-1.007276
"51194"	508.197671	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M-2H+NH4"	16.019271
"491483"	754.286871	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M-2H+NH4"	16.019271
"868192"	262.108471	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-2H+NH4"	16.019271
"34633"	513.153066	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M-2H+Na"	20.974666
"473101"	759.242266	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M-2H+Na"	20.974666
"850902"	267.063866	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-2H+Na"	20.974666
"1620802"	267.063866	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Na-2H"	20.974666
"103537"	263.070263	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M-H+Cl"	33.962126
"541999"	386.114863	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M-H+Cl"	33.962126
"934421"	140.025663	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-H+Cl"	33.962126
"271154"	527.147802	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+Cl"	34.969402
"665399"	773.237002	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+Cl"	34.969402
"1278168"	281.058602	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Cl"	34.969402
"20358"	529.127006	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M-2H+K"	36.948606
"457729"	775.216206	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M-2H+K"	36.948606
"833710"	283.037806	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-2H+K"	36.948606
"1560118"	283.037806	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+K-2H"	36.948606
"949095"	291.087394	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-H+HCOOH"	44.998194
"364032"	537.176601	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+HCOOH-H"	44.998201
"349007"	551.192251	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+Hac-H"	59.013851
"1496744"	305.103051	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Hac-H"	59.013851
"959790"	313.069351	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-H+NaCOOH"	66.980151
"114654"	281.058602	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+2Cl"	69.938804
"554944"	404.103202	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+2Cl"	69.938804
"1028119"	158.014002	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2Cl"	69.938804
"1246603"	325.008085	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Br"	78.918885
"1310145"	327.064072	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Cl+HCOOH"	80.974872
"1322540"	349.046029	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Cl+NaCOOH"	102.956829
"916521"	359.074786	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M-H+CF3COOH"	112.985586
"1300882"	395.051464	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Cl+CF3COOH"	148.962264
"1375763"	211.076524	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H-2H2O"	-35.012676
"1385241"	229.0865	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H-H2O"	-17.0027
"286386"	493.185676	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+H"	1.007276
"680264"	739.274876	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+H"	1.007276
"1354789"	247.096476	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H"	1.007276
"132417"	247.096476	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+2H"	2.014552
"567975"	370.141076	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+2H"	2.014552
"1039327"	124.051876	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2H"	2.014552
"206131"	165.066742666667	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+3H"	3.021828
"645445"	247.096476	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+3H"	3.021828
"1164906"	83.0370093333333	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+3H"	3.021828
"426356"	510.212223	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+NH4"	18.033823
"789172"	756.301423	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+NH4"	18.033823
"1686963"	264.123023	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+NH4"	18.033823
"337429"	255.6097495	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+H+NH4"	19.041099
"730944"	378.6543495	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+H+NH4"	19.041099
"1479661"	132.5651495	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H+NH4"	19.041099
"393733"	515.167618	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+Na"	22.989218
"762265"	761.256818	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+Na"	22.989218
"1610365"	269.078418	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Na"	22.989218
"322590"	258.087447	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+H+Na"	23.996494
"716109"	381.132047	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+H+Na"	23.996494
"1467742"	135.042847	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H+Na"	23.996494
"1063176"	90.3643233333333	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2H+Na"	25.00377
"1259386"	279.122686	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+CH3OH+H"	33.033486
"384520"	531.141558	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+K"	38.963158
"742598"	777.230758	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+K"	38.963158
"1545385"	285.052358	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+K"	38.963158
"304745"	266.074417	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+H+K"	39.970434
"693520"	389.119017	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+H+K"	39.970434
"1459742"	143.029817	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H+K"	39.970434
"249442"	534.212226	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+ACN+H"	42.033826
"1223241"	288.123026	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+ACN+H"	42.033826
"1207125"	144.565151	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+ACN+2H"	43.041102
"199994"	537.14956	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+2Na-H"	44.97116
"640647"	783.23876	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+2Na-H"	44.97116
"1141972"	291.06036	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2Na-H"	44.97116
"178704"	269.078418	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+2Na"	45.978436
"620452"	392.123018	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+2Na"	45.978436
"1116663"	146.033818	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2Na"	45.978436
"1399578"	97.6916373333333	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H+2Na"	46.985712
"1431090"	293.101946	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H+HCOOH"	47.012746
"220905"	274.11144	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+3H2O+2H"	56.04448
"1510183"	307.15399	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+IsoProp+H"	61.06479
"409988"	277.065388	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+Na+K"	61.952376
"772563"	400.109988	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+Na+K"	61.952376
"1668160"	154.020788	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Na+K"	61.952376
"253222"	556.194168	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+ACN+Na"	64.015768
"1227032"	310.104968	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+ACN+Na"	64.015768
"1715922"	310.128493	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+NH4+HCOOH"	64.039293
"1183468"	105.018951333333	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+3Na"	68.967654
"1654453"	315.083888	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Na+HCOOH"	68.994688
"160584"	569.09744	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+2K-H"	76.91904
"599780"	815.18664	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+2K-H"	76.91904
"1089755"	323.00824	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2K-H"	76.91904
"145477"	285.052358	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"2M+2K"	77.926316
"593796"	408.096958	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"3M+2K"	77.926316
"1077215"	162.007758	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2K"	77.926316
"1108236"	325.022792	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2K+H"	78.933592
"1345714"	325.110407	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+DMSO+H"	79.021207
"1016436"	329.149576	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2ACN+H"	83.060376
"1538207"	330.143208	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+IsoProp+Na+H"	84.054008
"1001008"	165.078426	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+2ACN+2H"	84.067652
"1596604"	331.057828	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+K+HCOOH"	84.968628
"1424452"	361.089338	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+H+CF3COOH"	115.000138
"1158020"	185.591701	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+3ACN+2H"	125.094202
"1706477"	378.115885	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+NH4+CF3COOH"	132.026685
"1641037"	383.07128	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+Na+CF3COOH"	136.98208
"1573407"	399.04522	"C17672"	"Torachrysone"	"C14H14O4"	"246.0892"	"M+K+CF3COOH"	152.95602
"809241"	272.0685	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M"	0
"975359"	253.05011	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-H2O-H"	-19.01839
"65549"	180.371724	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M-3H"	-3.021828
"512765"	271.061224	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M-3H"	-3.021828
"889473"	89.682224	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-3H"	-3.021828
"12422"	271.061224	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M-2H"	-2.014552
"443233"	407.095474	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M-2H"	-2.014552
"822129"	135.026974	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-2H"	-2.014552
"81392"	543.129724	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M-H"	-1.007276
"522776"	815.198224	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M-H"	-1.007276
"899483"	271.061224	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-H"	-1.007276
"49118"	560.156271	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M-2H+NH4"	16.019271
"489407"	832.224771	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M-2H+NH4"	16.019271
"867208"	288.087771	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-2H+NH4"	16.019271
"34744"	565.111666	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M-2H+Na"	20.974666
"471754"	837.180166	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M-2H+Na"	20.974666
"849068"	293.043166	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-2H+Na"	20.974666
"1618567"	293.043166	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Na-2H"	20.974666
"105832"	289.049563	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M-H+Cl"	33.962126
"542109"	425.083813	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M-H+Cl"	33.962126
"934532"	153.015313	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-H+Cl"	33.962126
"270900"	579.106402	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+Cl"	34.969402
"664416"	851.174902	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+Cl"	34.969402
"1276092"	307.037902	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Cl"	34.969402
"19738"	581.085606	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M-2H+K"	36.948606
"457841"	853.154106	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M-2H+K"	36.948606
"832824"	309.017106	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-2H+K"	36.948606
"1563509"	309.017106	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+K-2H"	36.948606
"947018"	317.066694	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-H+HCOOH"	44.998194
"366328"	589.135201	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+HCOOH-H"	44.998201
"354584"	603.150851	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+Hac-H"	59.013851
"1493939"	331.082351	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Hac-H"	59.013851
"959413"	339.048651	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-H+NaCOOH"	66.980151
"113671"	307.037902	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+2Cl"	69.938804
"551166"	443.072152	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+2Cl"	69.938804
"1023851"	171.003652	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2Cl"	69.938804
"1244523"	350.987385	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Br"	78.918885
"1308069"	353.043372	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Cl+HCOOH"	80.974872
"1320704"	375.025329	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Cl+NaCOOH"	102.956829
"913715"	385.054086	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M-H+CF3COOH"	112.985586
"1291517"	421.030764	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Cl+CF3COOH"	148.962264
"1370408"	237.055824	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H-2H2O"	-35.012676
"1384257"	255.0658	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H-H2O"	-17.0027
"284673"	545.144276	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+H"	1.007276
"678551"	817.212776	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+H"	1.007276
"1354170"	273.075776	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H"	1.007276
"128153"	273.075776	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+2H"	2.014552
"567477"	409.110026	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+2H"	2.014552
"1039194"	137.041526	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2H"	2.014552
"205512"	182.386276	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+3H"	3.021828
"645434"	273.075776	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+3H"	3.021828
"1162870"	91.696776	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+3H"	3.021828
"426102"	562.170823	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+NH4"	18.033823
"790013"	834.239323	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+NH4"	18.033823
"1687073"	290.102323	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+NH4"	18.033823
"336446"	281.5890495	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+H+NH4"	19.041099
"732147"	417.6232995	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+H+NH4"	19.041099
"1479405"	145.5547995	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H+NH4"	19.041099
"392835"	567.126218	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+Na"	22.989218
"755562"	839.194718	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+Na"	22.989218
"1607195"	295.057718	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Na"	22.989218
"317232"	284.066747	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+H+Na"	23.996494
"716219"	420.100997	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+H+Na"	23.996494
"1466756"	148.032497	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H+Na"	23.996494
"1064379"	99.02409	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2H+Na"	25.00377
"1260589"	305.101986	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+CH3OH+H"	33.033486
"386816"	583.100158	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+K"	38.963158
"742344"	855.168658	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+K"	38.963158
"1544765"	311.031658	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+K"	38.963158
"300113"	292.053717	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+H+K"	39.970434
"693630"	428.087967	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+H+K"	39.970434
"1456572"	156.019467	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H+K"	39.970434
"247365"	586.170826	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+ACN+H"	42.033826
"1220070"	314.102326	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+ACN+H"	42.033826
"1206142"	157.554801	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+ACN+2H"	43.041102
"200104"	589.10816	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+2Na-H"	44.97116
"641851"	861.17666	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+2Na-H"	44.97116
"1137702"	317.03966	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2Na-H"	44.97116
"181000"	295.057718	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+2Na"	45.978436
"617282"	431.091968	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+2Na"	45.978436
"1120784"	159.023468	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2Na"	45.978436
"1399444"	106.351404	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H+2Na"	46.985712
"1431683"	319.081246	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H+HCOOH"	47.012746
"222471"	300.09074	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+3H2O+2H"	56.04448
"1510169"	333.13329	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+IsoProp+H"	61.06479
"410949"	303.044688	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+Na+K"	61.952376
"771580"	439.078938	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+Na+K"	61.952376
"1667541"	167.010438	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Na+K"	61.952376
"252483"	608.152768	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+ACN+Na"	64.015768
"1227507"	336.084268	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+ACN+Na"	64.015768
"1716759"	336.107793	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+NH4+HCOOH"	64.039293
"1183577"	113.678718	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+3Na"	68.967654
"1653104"	341.063188	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Na+HCOOH"	68.994688
"162516"	621.05604	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+2K-H"	76.91904
"603169"	893.12454	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+2K-H"	76.91904
"1089136"	348.98754	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2K-H"	76.91904
"143764"	311.031658	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"2M+2K"	77.926316
"594999"	447.065908	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"3M+2K"	77.926316
"1078418"	174.997408	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2K"	77.926316
"1107251"	351.002092	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2K+H"	78.933592
"1344731"	351.089707	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+DMSO+H"	79.021207
"1015449"	355.128876	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2ACN+H"	83.060376
"1535765"	356.122508	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+IsoProp+Na+H"	84.054008
"1001118"	178.068076	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+2ACN+2H"	84.067652
"1597807"	357.037128	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+K+HCOOH"	84.968628
"1425655"	387.068638	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+H+CF3COOH"	115.000138
"1157037"	198.581351	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+3ACN+2H"	125.094202
"1706587"	404.095185	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+NH4+CF3COOH"	132.026685
"1641147"	409.05058	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+Na+CF3COOH"	136.98208
"1573152"	425.02452	"C17673"	"Toralactone"	"C15H12O5"	"272.0685"	"M+K+CF3COOH"	152.95602
"809351"	920.2798	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M"	0
"974335"	901.26141	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-H2O-H"	-19.01839
"65659"	612.512590666667	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M-3H"	-3.021828
"511782"	919.272524	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M-3H"	-3.021828
"889583"	305.752657333333	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-3H"	-3.021828
"11439"	919.272524	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M-2H"	-2.014552
"442614"	1379.412424	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M-2H"	-2.014552
"822239"	459.132624	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-2H"	-2.014552
"82232"	1839.552324	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M-H"	-1.007276
"523979"	2759.832124	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M-H"	-1.007276
"900321"	919.272524	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-H"	-1.007276
"49592"	1856.578871	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M-2H+NH4"	16.019271
"493526"	2776.858671	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M-2H+NH4"	16.019271
"866953"	936.299071	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-2H+NH4"	16.019271
"34123"	1861.534266	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M-2H+Na"	20.974666
"471777"	2781.814066	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M-2H+Na"	20.974666
"849013"	941.254466	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-2H+Na"	20.974666
"1619317"	941.254466	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Na-2H"	20.974666
"105944"	937.260863	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M-H+Cl"	33.962126
"541126"	1397.400763	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M-H+Cl"	33.962126
"933549"	477.120963	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-H+Cl"	33.962126
"267852"	1875.529002	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+Cl"	34.969402
"662340"	2795.808802	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+Cl"	34.969402
"1275838"	955.249202	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Cl"	34.969402
"17662"	1877.508206	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M-2H+K"	36.948606
"457096"	2797.788006	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M-2H+K"	36.948606
"833241"	957.228406	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-2H+K"	36.948606
"1565806"	957.228406	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+K-2H"	36.948606
"947129"	965.277994	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-H+HCOOH"	44.998194
"367531"	1885.557801	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+HCOOH-H"	44.998201
"349226"	1899.573451	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+Hac-H"	59.013851
"1493561"	979.293651	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Hac-H"	59.013851
"961228"	987.259951	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-H+NaCOOH"	66.980151
"113415"	955.249202	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+2Cl"	69.938804
"551884"	1415.389102	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+2Cl"	69.938804
"1023961"	495.109302	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2Cl"	69.938804
"1242810"	999.198685	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Br"	78.918885
"1305626"	1001.254672	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Cl+HCOOH"	80.974872
"1320124"	1023.236629	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Cl+NaCOOH"	102.956829
"916741"	1033.265386	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M-H+CF3COOH"	112.985586
"1294543"	1069.242064	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Cl+CF3COOH"	148.962264
"1370518"	885.267124	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H-2H2O"	-35.012676
"1384002"	903.2771	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H-H2O"	-17.0027
"283689"	1841.566876	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+H"	1.007276
"678297"	2761.846676	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+H"	1.007276
"1352458"	921.287076	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H"	1.007276
"129721"	921.287076	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+2H"	2.014552
"567831"	1381.426976	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+2H"	2.014552
"1037603"	461.147176	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2H"	2.014552
"205379"	614.527142666667	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+3H"	3.021828
"646273"	921.287076	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+3H"	3.021828
"1164398"	307.767209333333	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+3H"	3.021828
"425482"	1858.593423	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+NH4"	18.033823
"789759"	2778.873223	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+NH4"	18.033823
"1689371"	938.313623	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+NH4"	18.033823
"338744"	929.8003495	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+H+NH4"	19.041099
"732256"	1389.9402495	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+H+NH4"	19.041099
"1480610"	469.6604495	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H+NH4"	19.041099
"393140"	1863.548818	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+Na"	22.989218
"754331"	2783.828618	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+Na"	22.989218
"1607305"	943.269018	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Na"	22.989218
"318435"	932.278047	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+H+Na"	23.996494
"716329"	1392.417947	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+H+Na"	23.996494
"1464679"	472.138147	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H+Na"	23.996494
"1064488"	315.094523333333	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2H+Na"	25.00377
"1260699"	953.313286	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+CH3OH+H"	33.033486
"383646"	1879.522758	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+K"	38.963158
"742454"	2799.802558	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+K"	38.963158
"1544509"	959.242958	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+K"	38.963158
"301316"	940.265017	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+H+K"	39.970434
"693372"	1400.404917	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+H+K"	39.970434
"1454494"	480.125117	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H+K"	39.970434
"250633"	1882.593426	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+ACN+H"	42.033826
"1223460"	962.313626	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+ACN+H"	42.033826
"1205156"	481.660451	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+ACN+2H"	43.041102
"201307"	1885.53076	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+2Na-H"	44.97116
"635400"	2805.81056	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+2Na-H"	44.97116
"1139998"	965.25096	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2Na-H"	44.97116
"178912"	943.269018	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+2Na"	45.978436
"620667"	1403.408918	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+2Na"	45.978436
"1117614"	483.129118	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2Na"	45.978436
"1403323"	322.421837333333	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H+2Na"	46.985712
"1432157"	967.292546	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H+HCOOH"	47.012746
"224038"	948.30204	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+3H2O+2H"	56.04448
"1511007"	981.34459	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+IsoProp+H"	61.06479
"411785"	951.255988	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+Na+K"	61.952376
"770597"	1411.395888	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+Na+K"	61.952376
"1668017"	491.116088	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Na+K"	61.952376
"253447"	1904.575368	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+ACN+Na"	64.015768
"1228346"	984.295568	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+ACN+Na"	64.015768
"1716505"	984.319093	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+NH4+HCOOH"	64.039293
"1184780"	329.749151333333	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+3Na"	68.967654
"1654306"	989.274488	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Na+HCOOH"	68.994688
"161533"	1917.47864	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+2K-H"	76.91904
"601456"	2837.75844	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+2K-H"	76.91904
"1089246"	997.19884	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2K-H"	76.91904
"142414"	959.242958	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"2M+2K"	77.926316
"595109"	1419.382858	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"3M+2K"	77.926316
"1078528"	499.103058	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2K"	77.926316
"1107362"	999.213392	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2K+H"	78.933592
"1344841"	999.301007	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+DMSO+H"	79.021207
"1012279"	1003.340176	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2ACN+H"	83.060376
"1535875"	1004.333808	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+IsoProp+Na+H"	84.054008
"1001228"	502.173726	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+2ACN+2H"	84.067652
"1596823"	1005.248428	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+K+HCOOH"	84.968628
"1427952"	1035.279938	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+H+CF3COOH"	115.000138
"1152773"	522.687001	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+3ACN+2H"	125.094202
"1703417"	1052.306485	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+NH4+CF3COOH"	132.026685
"1641257"	1057.26188	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+Na+CF3COOH"	136.98208
"1572534"	1073.23582	"C17674"	"Cassiaside B2"	"C39H52O25"	"920.2798"	"M+K+CF3COOH"	152.95602
"809461"	450.1162	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M"	0
"976433"	431.09781	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-H2O-H"	-19.01839
"65769"	299.070190666667	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M-3H"	-3.021828
"511892"	449.108924	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M-3H"	-3.021828
"887506"	149.031457333333	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-3H"	-3.021828
"11549"	449.108924	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M-2H"	-2.014552
"444547"	674.167024	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M-2H"	-2.014552
"825629"	224.050824	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-2H"	-2.014552
"82342"	899.225124	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M-H"	-1.007276
"522996"	1349.341324	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M-H"	-1.007276
"897879"	449.108924	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-H"	-1.007276
"49702"	916.251671	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M-2H+NH4"	16.019271
"494730"	1366.367871	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M-2H+NH4"	16.019271
"869251"	466.135471	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-2H+NH4"	16.019271
"34962"	921.207066	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M-2H+Na"	20.974666
"471966"	1371.323266	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M-2H+Na"	20.974666
"849891"	471.090866	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-2H+Na"	20.974666
"1619548"	471.090866	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Na-2H"	20.974666
"104959"	467.097263	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M-H+Cl"	33.962126
"541236"	692.155363	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M-H+Cl"	33.962126
"933659"	242.039163	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-H+Cl"	33.962126
"268934"	935.201802	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+Cl"	34.969402
"663542"	1385.318002	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+Cl"	34.969402
"1273882"	485.085602	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Cl"	34.969402
"17408"	937.181006	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M-2H+K"	36.948606
"460248"	1387.297206	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M-2H+K"	36.948606
"839143"	487.064806	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-2H+K"	36.948606
"1560448"	487.064806	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+K-2H"	36.948606
"947238"	495.114394	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-H+HCOOH"	44.998194
"364359"	945.230601	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+HCOOH-H"	44.998201
"354803"	959.246251	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+Hac-H"	59.013851
"1493061"	509.130051	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Hac-H"	59.013851
"958628"	517.096351	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-H+NaCOOH"	66.980151
"110850"	485.085602	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+2Cl"	69.938804
"550446"	710.143702	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+2Cl"	69.938804
"1023342"	260.027502	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2Cl"	69.938804
"1244739"	529.035085	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Br"	78.918885
"1307193"	531.091072	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Cl+HCOOH"	80.974872
"1322502"	553.073029	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Cl+NaCOOH"	102.956829
"912230"	563.101786	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M-H+CF3COOH"	112.985586
"1289425"	599.078464	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Cl+CF3COOH"	148.962264
"1367227"	415.103524	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H-2H2O"	-35.012676
"1383249"	433.1135	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H-H2O"	-17.0027
"282913"	901.239676	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+H"	1.007276
"675767"	1351.355876	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+H"	1.007276
"1351951"	451.123476	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H"	1.007276
"125857"	451.123476	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+2H"	2.014552
"566031"	676.181576	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+2H"	2.014552
"1037708"	226.065376	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2H"	2.014552
"205733"	301.084742666667	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+3H"	3.021828
"644638"	451.123476	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+3H"	3.021828
"1163288"	151.046009333333	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+3H"	3.021828
"425225"	918.266223	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+NH4"	18.033823
"788411"	1368.382423	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+NH4"	18.033823
"1685468"	468.150023	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+NH4"	18.033823
"333384"	459.6367495	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+H+NH4"	19.041099
"729086"	684.6948495	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+H+NH4"	19.041099
"1478894"	234.5786495	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H+NH4"	19.041099
"394670"	923.221618	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+Na"	22.989218
"754684"	1373.337818	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+Na"	22.989218
"1607415"	473.105418	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Na"	22.989218
"318544"	462.114447	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+H+Na"	23.996494
"716439"	687.172547	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+H+Na"	23.996494
"1466975"	237.056347	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H+Na"	23.996494
"1061318"	158.373323333333	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2H+Na"	25.00377
"1260809"	483.149686	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+CH3OH+H"	33.033486
"380476"	939.195558	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+K"	38.963158
"741470"	1389.311758	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+K"	38.963158
"1543525"	489.079358	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+K"	38.963158
"302519"	470.101417	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+H+K"	39.970434
"695304"	695.159517	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+H+K"	39.970434
"1454604"	245.043317	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H+K"	39.970434
"249769"	942.266226	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+ACN+H"	42.033826
"1221384"	492.150026	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+ACN+H"	42.033826
"1204173"	246.578651	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+ACN+2H"	43.041102
"199959"	945.20356	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+2Na-H"	44.97116
"638788"	1395.31976	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+2Na-H"	44.97116
"1137190"	495.08736	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2Na-H"	44.97116
"177197"	473.105418	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+2Na"	45.978436
"618585"	698.163518	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+2Na"	45.978436
"1117724"	248.047318	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2Na"	45.978436
"1403433"	165.700637333333	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H+2Na"	46.985712
"1432269"	497.128946	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H+HCOOH"	47.012746
"224151"	478.13844	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+3H2O+2H"	56.04448
"1512213"	511.18099	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+IsoProp+H"	61.06479
"411166"	481.092388	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+Na+K"	61.952376
"771063"	706.150488	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+Na+K"	61.952376
"1666666"	256.034288	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Na+K"	61.952376
"253553"	964.248168	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+ACN+Na"	64.015768
"1228455"	514.131968	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+ACN+Na"	64.015768
"1716979"	514.155493	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+NH4+HCOOH"	64.039293
"1183797"	173.027951333333	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+3Na"	68.967654
"1654417"	519.110888	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Na+HCOOH"	68.994688
"160185"	977.15144	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+2K-H"	76.91904
"600108"	1427.26764	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+2K-H"	76.91904
"1088263"	527.03524	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2K-H"	76.91904
"142281"	489.079358	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"2M+2K"	77.926316
"595218"	714.137458	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"3M+2K"	77.926316
"1078638"	264.021258	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2K"	77.926316
"1106378"	529.049792	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2K+H"	78.933592
"1344951"	529.137407	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+DMSO+H"	79.021207
"1013482"	533.176576	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2ACN+H"	83.060376
"1535985"	534.170208	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+IsoProp+Na+H"	84.054008
"1002431"	267.091926	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+2ACN+2H"	84.067652
"1596933"	535.084828	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+K+HCOOH"	84.968628
"1426969"	565.116338	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+H+CF3COOH"	115.000138
"1157257"	287.605201	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+3ACN+2H"	125.094202
"1706807"	582.142885	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+NH4+CF3COOH"	132.026685
"1641367"	587.09828	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+Na+CF3COOH"	136.98208
"1579204"	603.07222	"C17675"	"Neocarthamin"	"C21H22O11"	"450.1162"	"M+K+CF3COOH"	152.95602
"809571"	240.2089	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M"	0
"979823"	221.19051	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-H2O-H"	-19.01839
"69159"	159.131990666667	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M-3H"	-3.021828
"513096"	239.201624	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M-3H"	-3.021828
"889803"	79.0623573333333	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-3H"	-3.021828
"11295"	239.201624	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M-2H"	-2.014552
"445750"	359.306074	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M-2H"	-2.014552
"825739"	119.097174	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-2H"	-2.014552
"84639"	479.410524	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M-H"	-1.007276
"525293"	719.619424	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M-H"	-1.007276
"901271"	239.201624	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-H"	-1.007276
"53093"	496.437071	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M-2H+NH4"	16.019271
"497026"	736.645971	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M-2H+NH4"	16.019271
"868996"	256.228171	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-2H+NH4"	16.019271
"34708"	501.392466	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M-2H+Na"	20.974666
"474264"	741.601366	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M-2H+Na"	20.974666
"850247"	261.183566	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-2H+Na"	20.974666
"1620507"	261.183566	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Na-2H"	20.974666
"107255"	257.189963	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M-H+Cl"	33.962126
"542439"	377.294413	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M-H+Cl"	33.962126
"935956"	137.085513	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-H+Cl"	33.962126
"270137"	515.387202	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+Cl"	34.969402
"664747"	755.596102	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+Cl"	34.969402
"1274113"	275.178302	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Cl"	34.969402
"20799"	517.366406	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M-2H+K"	36.948606
"460361"	757.575306	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M-2H+K"	36.948606
"833220"	277.157506	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-2H+K"	36.948606
"1561651"	277.157506	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+K-2H"	36.948606
"948440"	285.207094	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-H+HCOOH"	44.998194
"368843"	525.416001	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+HCOOH-H"	44.998201
"350541"	539.431651	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+Hac-H"	59.013851
"1496089"	299.222751	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Hac-H"	59.013851
"959012"	307.189051	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-H+NaCOOH"	66.980151
"112905"	275.178302	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+2Cl"	69.938804
"550271"	395.282752	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+2Cl"	69.938804
"1023452"	155.073852	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2Cl"	69.938804
"1244120"	319.127785	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Br"	78.918885
"1309488"	321.183772	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Cl+HCOOH"	80.974872
"1323704"	343.165729	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Cl+NaCOOH"	102.956829
"914411"	353.194486	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M-H+CF3COOH"	112.985586
"1289535"	389.171164	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Cl+CF3COOH"	148.962264
"1367330"	205.196224	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H-2H2O"	-35.012676
"1382876"	223.2062	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H-H2O"	-17.0027
"283046"	481.425076	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+H"	1.007276
"676571"	721.633976	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+H"	1.007276
"1352310"	241.216176	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H"	1.007276
"126656"	241.216176	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+2H"	2.014552
"567684"	361.320626	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+2H"	2.014552
"1037940"	121.111726	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2H"	2.014552
"206207"	161.146542666667	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+3H"	3.021828
"646129"	241.216176	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+3H"	3.021828
"1164981"	81.0769093333333	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+3H"	3.021828
"425700"	498.451623	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+NH4"	18.033823
"788153"	738.660523	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+NH4"	18.033823
"1687403"	258.242723	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+NH4"	18.033823
"334588"	249.7294495	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+H+NH4"	19.041099
"727736"	369.8338995	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+H+NH4"	19.041099
"1481921"	129.6249995	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H+NH4"	19.041099
"394781"	503.407018	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+Na"	22.989218
"754799"	743.615918	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+Na"	22.989218
"1610805"	263.198118	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Na"	22.989218
"317561"	252.207147	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+H+Na"	23.996494
"716549"	372.311597	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+H+Na"	23.996494
"1465992"	132.102697	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H+Na"	23.996494
"1062521"	88.4042233333333	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2H+Na"	25.00377
"1262012"	273.242386	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+CH3OH+H"	33.033486
"383866"	519.380958	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+K"	38.963158
"741944"	759.589858	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+K"	38.963158
"1548009"	279.172058	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+K"	38.963158
"302995"	260.194117	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+H+K"	39.970434
"697603"	380.298567	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+H+K"	39.970434
"1454711"	140.089667	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H+K"	39.970434
"244412"	522.451626	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+ACN+H"	42.033826
"1218212"	282.242726	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+ACN+H"	42.033826
"1201001"	141.625001	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+ACN+2H"	43.041102
"198245"	525.38896	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+2Na-H"	44.97116
"633795"	765.59786	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+2Na-H"	44.97116
"1135476"	285.18006	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2Na-H"	44.97116
"177306"	263.198118	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+2Na"	45.978436
"617234"	383.302568	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+2Na"	45.978436
"1117834"	143.093668	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2Na"	45.978436
"1407917"	95.7315373333333	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H+2Na"	46.985712
"1434566"	287.221646	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H+HCOOH"	47.012746
"221830"	268.23114	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+3H2O+2H"	56.04448
"1511956"	301.27369	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+IsoProp+H"	61.06479
"410912"	271.185088	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+Na+K"	61.952376
"771051"	391.289538	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+Na+K"	61.952376
"1666533"	151.080638	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Na+K"	61.952376
"252570"	544.433568	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+ACN+Na"	64.015768
"1228565"	304.224668	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+ACN+Na"	64.015768
"1714174"	304.248193	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+NH4+HCOOH"	64.039293
"1182814"	103.058851333333	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+3Na"	68.967654
"1651609"	309.203588	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Na+HCOOH"	68.994688
"160657"	557.33684	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+2K-H"	76.91904
"599853"	797.54574	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+2K-H"	76.91904
"1089102"	317.12794	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2K-H"	76.91904
"142513"	279.172058	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"2M+2K"	77.926316
"594235"	399.276508	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"3M+2K"	77.926316
"1079842"	159.067608	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2K"	77.926316
"1105394"	319.142492	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2K+H"	78.933592
"1340684"	319.230107	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+DMSO+H"	79.021207
"1016873"	323.269276	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2ACN+H"	83.060376
"1533904"	324.262908	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+IsoProp+Na+H"	84.054008
"1003634"	162.138276	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+2ACN+2H"	84.067652
"1597043"	325.177528	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+K+HCOOH"	84.968628
"1427809"	355.209038	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+H+CF3COOH"	115.000138
"1159554"	182.651551	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+3ACN+2H"	125.094202
"1710197"	372.235585	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+NH4+CF3COOH"	132.026685
"1641477"	377.19098	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+Na+CF3COOH"	136.98208
"1576034"	393.16492	"C17676"	"Cryptomeridiol;Proximadiol"	"C15H28O2"	"240.2089"	"M+K+CF3COOH"	152.95602
"809681"	504.324	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M"	0
"979933"	485.30561	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-H2O-H"	-19.01839
"69269"	335.208724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M-3H"	-3.021828
"514299"	503.316724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M-3H"	-3.021828
"891006"	167.100724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-3H"	-3.021828
"12862"	503.316724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M-2H"	-2.014552
"448047"	755.478724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M-2H"	-2.014552
"825849"	251.154724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-2H"	-2.014552
"84749"	1007.640724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M-H"	-1.007276
"526496"	1511.964724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M-H"	-1.007276
"903204"	503.316724	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-H"	-1.007276
"52111"	1024.667271	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M-2H+NH4"	16.019271
"492764"	1528.991271	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M-2H+NH4"	16.019271
"871658"	520.343271	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-2H+NH4"	16.019271
"33726"	1029.622666	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M-2H+Na"	20.974666
"475114"	1533.946666	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M-2H+Na"	20.974666
"852915"	525.298666	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-2H+Na"	20.974666
"1621719"	525.298666	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Na-2H"	20.974666
"105177"	521.305063	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M-H+Cl"	33.962126
"543642"	773.467063	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M-H+Cl"	33.962126
"937160"	269.143063	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-H+Cl"	33.962126
"273531"	1043.617402	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+Cl"	34.969402
"663763"	1547.941402	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+Cl"	34.969402
"1274466"	539.293402	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Cl"	34.969402
"20909"	1045.596606	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M-2H+K"	36.948606
"458284"	1549.920606	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M-2H+K"	36.948606
"833411"	541.272606	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-2H+K"	36.948606
"1561761"	541.272606	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+K-2H"	36.948606
"950737"	549.322194	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-H+HCOOH"	44.998194
"367860"	1053.646201	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+HCOOH-H"	44.998201
"350651"	1067.661851	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+Hac-H"	59.013851
"1493651"	563.337851	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Hac-H"	59.013851
"958878"	571.304151	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-H+NaCOOH"	66.980151
"110827"	539.293402	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+2Cl"	69.938804
"550751"	791.455402	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+2Cl"	69.938804
"1023562"	287.131402	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2Cl"	69.938804
"1243140"	583.242885	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Br"	78.918885
"1308505"	585.298872	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Cl+HCOOH"	80.974872
"1322720"	607.280829	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Cl+NaCOOH"	102.956829
"913063"	617.309586	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M-H+CF3COOH"	112.985586
"1289769"	653.286264	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Cl+CF3COOH"	148.962264
"1367566"	469.311324	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H-2H2O"	-35.012676
"1383603"	487.3213	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H-H2O"	-17.0027
"283654"	1009.655276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+H"	1.007276
"676804"	1513.979276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+H"	1.007276
"1352054"	505.331276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H"	1.007276
"127500"	505.331276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+2H"	2.014552
"565777"	757.493276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+2H"	2.014552
"1037099"	253.169276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2H"	2.014552
"204980"	337.223276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+3H"	3.021828
"645878"	505.331276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+3H"	3.021828
"1162844"	169.115276	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+3H"	3.021828
"424837"	1026.681823	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+NH4"	18.033823
"787169"	1531.005823	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+NH4"	18.033823
"1683865"	522.357823	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+NH4"	18.033823
"332509"	513.8445495	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+H+NH4"	19.041099
"725657"	766.0065495	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+H+NH4"	19.041099
"1480936"	261.6825495	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H+NH4"	19.041099
"393432"	1031.637218	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+Na"	22.989218
"754241"	1535.961218	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+Na"	22.989218
"1604354"	527.313218	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Na"	22.989218
"315361"	516.322247	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+H+Na"	23.996494
"715562"	768.484247	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+H+Na"	23.996494
"1467195"	264.160247	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H+Na"	23.996494
"1062631"	176.44259	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2H+Na"	25.00377
"1261029"	537.357486	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+CH3OH+H"	33.033486
"383976"	1047.611158	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+K"	38.963158
"742784"	1551.935158	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+K"	38.963158
"1547026"	543.287158	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+K"	38.963158
"304201"	524.309217	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+H+K"	39.970434
"697714"	776.471217	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+H+K"	39.970434
"1449712"	272.147217	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H+K"	39.970434
"247797"	1050.681826	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+ACN+H"	42.033826
"1221601"	546.357826	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+ACN+H"	42.033826
"1203299"	273.682551	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+ACN+2H"	43.041102
"199448"	1053.61916	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+2Na-H"	44.97116
"633541"	1557.94316	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+2Na-H"	44.97116
"1134492"	549.29516	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2Na-H"	44.97116
"174622"	527.313218	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+2Na"	45.978436
"616249"	779.475218	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+2Na"	45.978436
"1120132"	275.151218	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2Na"	45.978436
"1408027"	183.769904	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H+2Na"	46.985712
"1432490"	551.336746	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H+HCOOH"	47.012746
"220724"	532.34624	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+3H2O+2H"	56.04448
"1510608"	565.38879	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+IsoProp+H"	61.06479
"412120"	535.300188	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+Na+K"	61.952376
"770923"	787.462188	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+Na+K"	61.952376
"1666769"	283.138188	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Na+K"	61.952376
"251709"	1072.663768	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+ACN+Na"	64.015768
"1226608"	568.339768	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+ACN+Na"	64.015768
"1712773"	568.363293	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+NH4+HCOOH"	64.039293
"1181102"	191.097218	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+3Na"	68.967654
"1653543"	573.318688	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Na+HCOOH"	68.994688
"159312"	1085.56704	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+2K-H"	76.91904
"599599"	1589.89104	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+2K-H"	76.91904
"1087025"	581.24304	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2K-H"	76.91904
"143475"	543.287158	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"2M+2K"	77.926316
"595197"	795.449158	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"3M+2K"	77.926316
"1079953"	291.125158	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2K"	77.926316
"1106599"	583.257592	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2K+H"	78.933592
"1342983"	583.345207	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+DMSO+H"	79.021207
"1014795"	587.384376	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2ACN+H"	83.060376
"1531828"	588.378008	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+IsoProp+Na+H"	84.054008
"1000461"	294.195826	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+2ACN+2H"	84.067652
"1601895"	589.292628	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+K+HCOOH"	84.968628
"1429012"	619.324138	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+H+CF3COOH"	115.000138
"1159663"	314.709101	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+3ACN+2H"	125.094202
"1709214"	636.350685	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+NH4+CF3COOH"	132.026685
"1643774"	641.30608	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+Na+CF3COOH"	136.98208
"1576144"	657.28002	"C17677"	"Eudesobovatol B"	"C33H44O4"	"504.324"	"M+K+CF3COOH"	152.95602
"801374"	624.2054	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M"	0
"976763"	605.18701	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-H2O-H"	-19.01839
"63911"	415.129657333333	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M-3H"	-3.021828
"514409"	623.198124	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M-3H"	-3.021828
"887836"	207.061190666667	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-3H"	-3.021828
"8597"	623.198124	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M-2H"	-2.014552
"447064"	935.300824	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M-2H"	-2.014552
"825959"	311.095424	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-2H"	-2.014552
"84859"	1247.403524	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M-H"	-1.007276
"526606"	1871.608924	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M-H"	-1.007276
"901127"	623.198124	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-H"	-1.007276
"52221"	1264.430071	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M-2H+NH4"	16.019271
"497249"	1888.635471	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M-2H+NH4"	16.019271
"867393"	640.224671	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-2H+NH4"	16.019271
"34564"	1269.385466	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M-2H+Na"	20.974666
"475588"	1893.590866	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M-2H+Na"	20.974666
"850474"	645.180066	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-2H+Na"	20.974666
"1621100"	645.180066	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Na-2H"	20.974666
"105287"	641.186463	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M-H+Cl"	33.962126
"543752"	953.289163	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M-H+Cl"	33.962126
"938363"	329.083763	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-H+Cl"	33.962126
"280201"	1283.380202	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+Cl"	34.969402
"668247"	1907.585602	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+Cl"	34.969402
"1274212"	659.174802	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Cl"	34.969402
"17738"	1285.359406	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M-2H+K"	36.948606
"456120"	1909.564806	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M-2H+K"	36.948606
"833319"	661.154006	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-2H+K"	36.948606
"1556403"	661.154006	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+K-2H"	36.948606
"945381"	669.203594	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-H+HCOOH"	44.998194
"364688"	1293.409001	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+HCOOH-H"	44.998201
"346751"	1307.424651	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+Hac-H"	59.013851
"1493188"	683.219251	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Hac-H"	59.013851
"958826"	691.185551	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-H+NaCOOH"	66.980151
"110243"	659.174802	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+2Cl"	69.938804
"551102"	971.277502	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+2Cl"	69.938804
"1021929"	347.072102	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2Cl"	69.938804
"1243978"	703.124285	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Br"	78.918885
"1308615"	705.180272	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Cl+HCOOH"	80.974872
"1321012"	727.162229	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Cl+NaCOOH"	102.956829
"915723"	737.190986	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M-H+CF3COOH"	112.985586
"1290608"	773.167664	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Cl+CF3COOH"	148.962264
"1367509"	589.192724	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H-2H2O"	-35.012676
"1383348"	607.2027	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H-H2O"	-17.0027
"283235"	1249.418076	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+H"	1.007276
"675775"	1873.623476	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+H"	1.007276
"1351557"	625.212676	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H"	1.007276
"125904"	625.212676	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+2H"	2.014552
"565958"	937.315376	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+2H"	2.014552
"1037794"	313.109976	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2H"	2.014552
"204969"	417.144209333333	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+3H"	3.021828
"645625"	625.212676	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+3H"	3.021828
"1162820"	209.075742666667	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+3H"	3.021828
"425919"	1266.444623	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+NH4"	18.033823
"789831"	1890.650023	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+NH4"	18.033823
"1682884"	642.239223	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+NH4"	18.033823
"333347"	633.7259495	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+H+NH4"	19.041099
"727953"	945.8286495	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+H+NH4"	19.041099
"1479955"	321.6232495	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H+NH4"	19.041099
"394999"	1271.400018	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+Na"	22.989218
"754230"	1895.605418	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+Na"	22.989218
"1602762"	647.194618	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Na"	22.989218
"314863"	636.203647	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+H+Na"	23.996494
"714579"	948.306347	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+H+Na"	23.996494
"1467305"	324.100947	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H+Na"	23.996494
"1062741"	216.403056666667	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2H+Na"	25.00377
"1267700"	657.238886	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+CH3OH+H"	33.033486
"387366"	1287.373958	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+K"	38.963158
"746175"	1911.579358	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+K"	38.963158
"1548230"	663.168558	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+K"	38.963158
"305405"	644.190617	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+H+K"	39.970434
"696731"	956.293317	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+H+K"	39.970434
"1449458"	332.087917	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H+K"	39.970434
"247907"	1290.444626	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+ACN+H"	42.033826
"1222440"	666.239226	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+ACN+H"	42.033826
"1204500"	333.623251	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+ACN+2H"	43.041102
"195183"	1293.38196	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+2Na-H"	44.97116
"636930"	1917.58736	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+2Na-H"	44.97116
"1133631"	669.17656	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2Na-H"	44.97116
"175825"	647.194618	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+2Na"	45.978436
"615145"	959.297318	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+2Na"	45.978436
"1116960"	335.091918	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2Na"	45.978436
"1405950"	223.730370666667	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H+2Na"	46.985712
"1430531"	671.218146	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H+HCOOH"	47.012746
"220265"	652.22764	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+3H2O+2H"	56.04448
"1509625"	685.27019	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+IsoProp+H"	61.06479
"410042"	655.181588	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+Na+K"	61.952376
"770303"	967.284288	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+Na+K"	61.952376
"1665634"	343.078888	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Na+K"	61.952376
"252427"	1312.426568	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+ACN+Na"	64.015768
"1225865"	688.221168	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+ACN+Na"	64.015768
"1713053"	688.244693	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+NH4+HCOOH"	64.039293
"1181941"	231.057684666667	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+3Na"	68.967654
"1653288"	693.200088	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Na+HCOOH"	68.994688
"159786"	1325.32984	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+2K-H"	76.91904
"600075"	1949.53524	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+2K-H"	76.91904
"1086406"	701.12444	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2K-H"	76.91904
"143220"	663.168558	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"2M+2K"	77.926316
"594456"	975.271258	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"3M+2K"	77.926316
"1080063"	351.065858	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2K"	77.926316
"1105616"	703.138992	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2K+H"	78.933592
"1342000"	703.226607	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+DMSO+H"	79.021207
"1014905"	707.265776	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2ACN+H"	83.060376
"1533031"	708.259408	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+IsoProp+Na+H"	84.054008
"1000571"	354.136526	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+2ACN+2H"	84.067652
"1598358"	709.174028	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+K+HCOOH"	84.968628
"1419642"	739.205538	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+H+CF3COOH"	115.000138
"1157587"	374.649801	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+3ACN+2H"	125.094202
"1706044"	756.232085	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+NH4+CF3COOH"	132.026685
"1644977"	761.18748	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+Na+CF3COOH"	136.98208
"1576254"	777.16142	"C17678"	"Magnoloside A"	"C29H36O15"	"624.2054"	"M+K+CF3COOH"	152.95602
"803339"	786.2582	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M"	0
"976873"	767.23981	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-H2O-H"	-19.01839
"64385"	523.164857333333	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M-3H"	-3.021828
"514519"	785.250924	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M-3H"	-3.021828
"886853"	261.078790666667	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-3H"	-3.021828
"8707"	785.250924	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M-2H"	-2.014552
"448267"	1178.380024	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M-2H"	-2.014552
"824976"	392.121824	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-2H"	-2.014552
"84969"	1571.509124	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M-H"	-1.007276
"525623"	2357.767324	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M-H"	-1.007276
"899050"	785.250924	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-H"	-1.007276
"52331"	1588.535671	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M-2H+NH4"	16.019271
"492985"	2374.793871	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M-2H+NH4"	16.019271
"868598"	802.277471	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-2H+NH4"	16.019271
"33579"	1593.491066	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M-2H+Na"	20.974666
"473874"	2379.749266	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M-2H+Na"	20.974666
"850584"	807.232866	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-2H+Na"	20.974666
"1619022"	807.232866	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Na-2H"	20.974666
"107586"	803.239263	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M-H+Cl"	33.962126
"542771"	1196.368363	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M-H+Cl"	33.962126
"939566"	410.110163	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-H+Cl"	33.962126
"280311"	1607.485802	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+Cl"	34.969402
"668357"	2393.744002	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+Cl"	34.969402
"1277483"	821.227602	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Cl"	34.969402
"20038"	1609.465006	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M-2H+K"	36.948606
"456398"	2395.723206	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M-2H+K"	36.948606
"835577"	823.206806	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-2H+K"	36.948606
"1557243"	823.206806	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+K-2H"	36.948606
"947678"	831.256394	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-H+HCOOH"	44.998194
"363341"	1617.514601	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+HCOOH-H"	44.998201
"347589"	1631.530251	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+Hac-H"	59.013851
"1493015"	845.272051	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Hac-H"	59.013851
"958737"	853.238351	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-H+NaCOOH"	66.980151
"111046"	821.227602	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+2Cl"	69.938804
"551697"	1214.356702	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+2Cl"	69.938804
"1023171"	428.098502	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2Cl"	69.938804
"1243360"	865.177085	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Br"	78.918885
"1307632"	867.233072	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Cl+HCOOH"	80.974872
"1320024"	889.215029	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Cl+NaCOOH"	102.956829
"915469"	899.243786	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M-H+CF3COOH"	112.985586
"1289378"	935.220464	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Cl+CF3COOH"	148.962264
"1368148"	751.245524	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H-2H2O"	-35.012676
"1384552"	769.2555	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H-H2O"	-17.0027
"282953"	1573.523676	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+H"	1.007276
"676052"	2359.781876	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+H"	1.007276
"1351870"	787.265476	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H"	1.007276
"126866"	787.265476	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+2H"	2.014552
"566555"	1180.394576	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+2H"	2.014552
"1038146"	394.136376	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2H"	2.014552
"205199"	525.179409333333	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+3H"	3.021828
"645734"	787.265476	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+3H"	3.021828
"1163001"	263.093342666667	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+3H"	3.021828
"425665"	1590.550223	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+NH4"	18.033823
"788848"	2376.808423	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+NH4"	18.033823
"1685179"	804.292023	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+NH4"	18.033823
"333822"	795.7787495	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+H+NH4"	19.041099
"726972"	1188.9078495	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+H+NH4"	19.041099
"1480066"	402.6496495	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H+NH4"	19.041099
"392953"	1595.505618	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+Na"	22.989218
"754555"	2381.763818	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+Na"	22.989218
"1603599"	809.247418	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Na"	22.989218
"314322"	798.256447	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+H+Na"	23.996494
"712502"	1191.385547	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+H+Na"	23.996494
"1461581"	405.127347	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H+Na"	23.996494
"1062487"	270.420656666667	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2H+Na"	25.00377
"1261247"	819.291686	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+CH3OH+H"	33.033486
"384196"	1611.479558	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+K"	38.963158
"744097"	2397.737758	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+K"	38.963158
"1549068"	825.221358	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+K"	38.963158
"300045"	806.243417	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+H+K"	39.970434
"693196"	1199.372517	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+H+K"	39.970434
"1448476"	413.114317	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H+K"	39.970434
"246924"	1614.550226	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+ACN+H"	42.033826
"1221821"	828.292026	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+ACN+H"	42.033826
"1204610"	414.649651	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+ACN+2H"	43.041102
"194200"	1617.48756	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+2Na-H"	44.97116
"637040"	2403.74576	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+2Na-H"	44.97116
"1135078"	831.22936	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2Na-H"	44.97116
"175692"	809.247418	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+2Na"	45.978436
"615377"	1202.376518	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+2Na"	45.978436
"1120347"	416.118318	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2Na"	45.978436
"1400714"	277.747970666667	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H+2Na"	46.985712
"1430317"	833.270946	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H+HCOOH"	47.012746
"220334"	814.28044	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+3H2O+2H"	56.04448
"1509492"	847.32299	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+IsoProp+H"	61.06479
"410151"	817.234388	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+Na+K"	61.952376
"770043"	1210.363488	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+Na+K"	61.952376
"1665771"	424.105288	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Na+K"	61.952376
"251542"	1636.532168	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+ACN+Na"	64.015768
"1225972"	850.273968	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+ACN+Na"	64.015768
"1712797"	850.297493	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+NH4+HCOOH"	64.039293
"1182051"	285.075284666667	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+3Na"	68.967654
"1653036"	855.252888	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Na+HCOOH"	68.994688
"159168"	1649.43544	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+2K-H"	76.91904
"602007"	2435.69364	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+2K-H"	76.91904
"1085788"	863.17724	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2K-H"	76.91904
"143695"	825.221358	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"2M+2K"	77.926316
"594566"	1218.350458	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"3M+2K"	77.926316
"1080173"	432.092258	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2K"	77.926316
"1107913"	865.191792	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2K+H"	78.933592
"1343204"	865.279407	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+DMSO+H"	79.021207
"1017204"	869.318576	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2ACN+H"	83.060376
"1533141"	870.312208	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+IsoProp+Na+H"	84.054008
"1002869"	435.162926	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+2ACN+2H"	84.067652
"1590811"	871.226828	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+K+HCOOH"	84.968628
"1416836"	901.258338	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+H+CF3COOH"	115.000138
"1156602"	455.676201	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+3ACN+2H"	125.094202
"1705060"	918.284885	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+NH4+CF3COOH"	132.026685
"1645087"	923.24028	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+Na+CF3COOH"	136.98208
"1576364"	939.21422	"C17679"	"Magnoloside B"	"C35H46O20"	"786.2582"	"M+K+CF3COOH"	152.95602
"810011"	948.3111	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M"	0
"976983"	929.29271	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-H2O-H"	-19.01839
"64495"	631.200124	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M-3H"	-3.021828
"514629"	947.303824	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M-3H"	-3.021828
"884776"	315.096424	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-3H"	-3.021828
"7724"	947.303824	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M-2H"	-2.014552
"448377"	1421.459374	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M-2H"	-2.014552
"822897"	473.148274	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-2H"	-2.014552
"85079"	1895.614924	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M-H"	-1.007276
"525733"	2843.926024	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M-H"	-1.007276
"904628"	947.303824	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-H"	-1.007276
"54628"	1912.641471	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M-2H+NH4"	16.019271
"495281"	2860.952571	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M-2H+NH4"	16.019271
"873082"	964.330371	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-2H+NH4"	16.019271
"36608"	1917.596866	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M-2H+Na"	20.974666
"473256"	2865.907966	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M-2H+Na"	20.974666
"849966"	969.285766	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-2H+Na"	20.974666
"1619131"	969.285766	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Na-2H"	20.974666
"107696"	965.292163	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M-H+Cl"	33.962126
"542517"	1439.447713	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M-H+Cl"	33.962126
"938948"	491.136613	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-H+Cl"	33.962126
"281274"	1931.591602	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+Cl"	34.969402
"671384"	2879.902702	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+Cl"	34.969402
"1276500"	983.280502	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Cl"	34.969402
"23428"	1933.570806	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M-2H+K"	36.948606
"459708"	2881.881906	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M-2H+K"	36.948606
"839697"	985.259706	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-2H+K"	36.948606
"1563186"	985.259706	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+K-2H"	36.948606
"948882"	993.309294	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-H+HCOOH"	44.998194
"363816"	1941.620401	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+HCOOH-H"	44.998201
"346607"	1955.636051	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+Hac-H"	59.013851
"1496532"	1007.324951	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Hac-H"	59.013851
"959208"	1015.291251	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-H+NaCOOH"	66.980151
"111519"	983.280502	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+2Cl"	69.938804
"551200"	1457.436052	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+2Cl"	69.938804
"1022798"	509.124952	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2Cl"	69.938804
"1243104"	1027.229985	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Br"	78.918885
"1307013"	1029.285972	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Cl+HCOOH"	80.974872
"1320379"	1051.267929	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Cl+NaCOOH"	102.956829
"915215"	1061.296686	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M-H+CF3COOH"	112.985586
"1288760"	1097.273364	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Cl+CF3COOH"	148.962264
"1367530"	913.298424	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H-2H2O"	-35.012676
"1383934"	931.3084	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H-H2O"	-17.0027
"283211"	1897.629476	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+H"	1.007276
"676405"	2845.940576	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+H"	1.007276
"1351577"	949.318376	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H"	1.007276
"125923"	949.318376	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+2H"	2.014552
"566665"	1423.473926	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+2H"	2.014552
"1037895"	475.162826	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2H"	2.014552
"205067"	633.214676	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+3H"	3.021828
"646330"	949.318376	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+3H"	3.021828
"1163477"	317.110976	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+3H"	3.021828
"426140"	1914.656023	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+NH4"	18.033823
"787137"	2862.967123	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+NH4"	18.033823
"1683103"	966.344923	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+NH4"	18.033823
"331381"	957.8316495	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+H+NH4"	19.041099
"727083"	1431.9871995	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+H+NH4"	19.041099
"1480178"	483.6760995	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H+NH4"	19.041099
"393041"	1919.611418	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+Na"	22.989218
"754751"	2867.922518	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+Na"	22.989218
"1603954"	971.300318	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Na"	22.989218
"315327"	960.309347	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+H+Na"	23.996494
"714799"	1434.464897	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+H+Na"	23.996494
"1463026"	486.153797	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H+Na"	23.996494
"1061866"	324.43829	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2H+Na"	25.00377
"1260264"	981.344586	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+CH3OH+H"	33.033486
"384306"	1935.585358	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+K"	38.963158
"743114"	2883.896458	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+K"	38.963158
"1545168"	987.274258	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+K"	38.963158
"299791"	968.296317	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+H+K"	39.970434
"693306"	1442.451867	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+H+K"	39.970434
"1445684"	494.140767	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H+K"	39.970434
"245940"	1938.656026	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+ACN+H"	42.033826
"1219744"	990.344926	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+ACN+H"	42.033826
"1204720"	495.676101	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+ACN+2H"	43.041102
"197589"	1941.59336	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+2Na-H"	44.97116
"636056"	2889.90446	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+2Na-H"	44.97116
"1136281"	993.28226	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2Na-H"	44.97116
"175198"	971.300318	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+2Na"	45.978436
"615122"	1445.455868	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+2Na"	45.978436
"1119364"	497.144768	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2Na"	45.978436
"1398919"	331.765604	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H+2Na"	46.985712
"1429904"	995.323846	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H+HCOOH"	47.012746
"220812"	976.33334	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+3H2O+2H"	56.04448
"1509357"	1009.37589	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+IsoProp+H"	61.06479
"411355"	979.287288	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+Na+K"	61.952376
"770197"	1453.442838	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+Na+K"	61.952376
"1665963"	505.131738	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Na+K"	61.952376
"252285"	1960.637968	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+ACN+Na"	64.015768
"1225641"	1012.326868	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+ACN+Na"	64.015768
"1712905"	1012.350393	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+NH4+HCOOH"	64.039293
"1179607"	339.092918	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+3Na"	68.967654
"1655332"	1017.305788	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Na+HCOOH"	68.994688
"162194"	1973.54124	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+2K-H"	76.91904
"601753"	2921.85234	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+2K-H"	76.91904
"1086627"	1025.23014	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2K-H"	76.91904
"143806"	987.274258	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"2M+2K"	77.926316
"594676"	1461.429808	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"3M+2K"	77.926316
"1080282"	513.118708	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2K"	77.926316
"1108023"	1027.244692	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2K+H"	78.933592
"1342220"	1027.332307	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+DMSO+H"	79.021207
"1017314"	1031.371476	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2ACN+H"	83.060376
"1533251"	1032.365108	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+IsoProp+Na+H"	84.054008
"996418"	516.189376	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+2ACN+2H"	84.067652
"1590921"	1033.279728	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+K+HCOOH"	84.968628
"1423143"	1063.311238	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+H+CF3COOH"	115.000138
"1153432"	536.702651	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+3ACN+2H"	125.094202
"1701890"	1080.337785	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+NH4+CF3COOH"	132.026685
"1641917"	1085.29318	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+Na+CF3COOH"	136.98208
"1576473"	1101.26712	"C17680"	"Magnoloside C"	"C41H56O25"	"948.3111"	"M+K+CF3COOH"	152.95602
"816566"	742.2989	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M"	0
"989803"	723.28051	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-H2O-H"	-19.01839
"78299"	493.858657333333	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M-3H"	-3.021828
"516927"	741.291624	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M-3H"	-3.021828
"891446"	246.425690666667	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-3H"	-3.021828
"15250"	741.291624	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M-2H"	-2.014552
"452864"	1112.441074	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M-2H"	-2.014552
"827383"	370.142174	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-2H"	-2.014552
"88469"	1483.590524	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M-H"	-1.007276
"523656"	2225.889424	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M-H"	-1.007276
"904737"	741.291624	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-H"	-1.007276
"52551"	1500.617071	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M-2H+NH4"	16.019271
"489920"	2242.915971	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M-2H+NH4"	16.019271
"872098"	758.318171	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-2H+NH4"	16.019271
"35258"	1505.572466	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M-2H+Na"	20.974666
"474215"	2247.871366	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M-2H+Na"	20.974666
"849954"	763.273566	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-2H+Na"	20.974666
"1621062"	763.273566	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Na-2H"	20.974666
"108414"	759.279963	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M-H+Cl"	33.962126
"548704"	1130.429413	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M-H+Cl"	33.962126
"939423"	388.130513	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-H+Cl"	33.962126
"281749"	1519.567202	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+Cl"	34.969402
"668578"	2261.866102	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+Cl"	34.969402
"1282077"	777.268302	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Cl"	34.969402
"24633"	1521.546406	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M-2H+K"	36.948606
"460912"	2263.845306	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M-2H+K"	36.948606
"839807"	779.247506	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-2H+K"	36.948606
"1563296"	779.247506	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+K-2H"	36.948606
"950085"	787.297094	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-H+HCOOH"	44.998194
"366113"	1529.596001	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+HCOOH-H"	44.998201
"349997"	1543.611651	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+Hac-H"	59.013851
"1496277"	801.312751	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Hac-H"	59.013851
"959807"	809.279051	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-H+NaCOOH"	66.980151
"111386"	777.268302	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+2Cl"	69.938804
"551553"	1148.417752	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+2Cl"	69.938804
"1023638"	406.118852	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2Cl"	69.938804
"1243947"	821.217785	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Br"	78.918885
"1305666"	823.273772	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Cl+HCOOH"	80.974872
"1321338"	845.255729	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Cl+NaCOOH"	102.956829
"913499"	855.284486	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M-H+CF3COOH"	112.985586
"1289114"	891.261164	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Cl+CF3COOH"	148.962264
"1368490"	707.286224	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H-2H2O"	-35.012676
"1383800"	725.2962	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H-H2O"	-17.0027
"282999"	1485.605076	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+H"	1.007276
"675785"	2227.903976	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+H"	1.007276
"1352137"	743.306176	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H"	1.007276
"126845"	743.306176	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+2H"	2.014552
"566412"	1114.455626	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+2H"	2.014552
"1037397"	372.156726	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2H"	2.014552
"205902"	495.873209333333	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+3H"	3.021828
"645219"	743.306176	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+3H"	3.021828
"1163710"	248.440242666667	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+3H"	3.021828
"425522"	1502.631623	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+NH4"	18.033823
"788341"	2244.930523	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+NH4"	18.033823
"1681874"	760.332723	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+NH4"	18.033823
"331856"	751.8194495	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+H+NH4"	19.041099
"723549"	1122.9688995	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+H+NH4"	19.041099
"1481381"	380.6699995	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H+NH4"	19.041099
"394239"	1507.587018	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+Na"	22.989218
"754991"	2249.885918	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+Na"	22.989218
"1603573"	765.288118	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Na"	22.989218
"322488"	754.297147	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+H+Na"	23.996494
"720746"	1125.446597	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+H+Na"	23.996494
"1474931"	383.147697	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H+Na"	23.996494
"1067085"	255.767556666667	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2H+Na"	25.00377
"1271556"	775.332386	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+CH3OH+H"	33.033486
"389887"	1523.560958	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+K"	38.963158
"743225"	2265.859858	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+K"	38.963158
"1545278"	781.262058	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+K"	38.963158
"302453"	762.284117	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+H+K"	39.970434
"700343"	1133.433567	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+H+K"	39.970434
"1457448"	391.134667	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H+K"	39.970434
"250301"	1526.631626	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+ACN+H"	42.033826
"1223138"	784.332726	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+ACN+H"	42.033826
"1202646"	392.670001	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+ACN+2H"	43.041102
"199888"	1529.56896	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+2Na-H"	44.97116
"639449"	2271.86786	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+2Na-H"	44.97116
"1134207"	787.27006	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2Na-H"	44.97116
"176403"	765.288118	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+2Na"	45.978436
"614869"	1136.437568	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+2Na"	45.978436
"1127496"	394.138668	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2Na"	45.978436
"1400816"	263.094870666667	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H+2Na"	46.985712
"1435115"	789.311646	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H+HCOOH"	47.012746
"221043"	770.32114	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+3H2O+2H"	56.04448
"1511778"	803.36369	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+IsoProp+H"	61.06479
"409277"	773.275088	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+Na+K"	61.952376
"770160"	1144.424538	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+Na+K"	61.952376
"1666116"	402.125638	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Na+K"	61.952376
"251742"	1548.613568	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+ACN+Na"	64.015768
"1225762"	806.314668	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+ACN+Na"	64.015768
"1714725"	806.338193	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+NH4+HCOOH"	64.039293
"1179433"	270.422184666667	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+3Na"	68.967654
"1660913"	811.293588	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Na+HCOOH"	68.994688
"167774"	1561.51684	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+2K-H"	76.91904
"606240"	2303.81574	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+2K-H"	76.91904
"1090749"	819.21794	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2K-H"	76.91904
"148660"	781.262058	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"2M+2K"	77.926316
"593696"	1152.411508	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"3M+2K"	77.926316
"1080392"	410.112608	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2K"	77.926316
"1107039"	821.232492	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2K+H"	78.933592
"1345612"	821.320107	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+DMSO+H"	79.021207
"1015232"	825.359276	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2ACN+H"	83.060376
"1530081"	826.352908	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+IsoProp+Na+H"	84.054008
"1000898"	413.183276	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+2ACN+2H"	84.067652
"1594310"	827.267528	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+K+HCOOH"	84.968628
"1416693"	857.299038	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+H+CF3COOH"	115.000138
"1150259"	433.696551	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+3ACN+2H"	125.094202
"1704187"	874.325585	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+NH4+CF3COOH"	132.026685
"1642027"	879.28098	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+Na+CF3COOH"	136.98208
"1576583"	895.25492	"C17682"	"Neoarctin A"	"C42H46O12"	"742.2989"	"M+K+CF3COOH"	152.95602
"813512"	742.2989	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M"	0
"978296"	723.28051	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-H2O-H"	-19.01839
"78090"	493.858657333333	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M-3H"	-3.021828
"517766"	741.291624	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M-3H"	-3.021828
"889370"	246.425690666667	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-3H"	-3.021828
"14148"	741.291624	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M-2H"	-2.014552
"453825"	1112.441074	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M-2H"	-2.014552
"825307"	370.142174	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-2H"	-2.014552
"88579"	1483.590524	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M-H"	-1.007276
"523766"	2225.889424	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M-H"	-1.007276
"904847"	741.291624	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-H"	-1.007276
"53754"	1500.617071	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M-2H+NH4"	16.019271
"499873"	2242.915971	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M-2H+NH4"	16.019271
"872208"	758.318171	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-2H+NH4"	16.019271
"37192"	1505.572466	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M-2H+Na"	20.974666
"474689"	2247.871366	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M-2H+Na"	20.974666
"852009"	763.273566	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-2H+Na"	20.974666
"1621172"	763.273566	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Na-2H"	20.974666
"109619"	759.279963	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M-H+Cl"	33.962126
"546383"	1130.429413	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M-H+Cl"	33.962126
"939533"	388.130513	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-H+Cl"	33.962126
"282715"	1519.567202	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+Cl"	34.969402
"673792"	2261.866102	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+Cl"	34.969402
"1280000"	777.268302	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Cl"	34.969402
"24742"	1521.546406	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M-2H+K"	36.948606
"461021"	2263.845306	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M-2H+K"	36.948606
"842104"	779.247506	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-2H+K"	36.948606
"1566687"	779.247506	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+K-2H"	36.948606
"954569"	787.297094	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-H+HCOOH"	44.998194
"368410"	1529.596001	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+HCOOH-H"	44.998201
"353387"	1543.611651	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+Hac-H"	59.013851
"1498940"	801.312751	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Hac-H"	59.013851
"964292"	809.279051	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-H+NaCOOH"	66.980151
"115751"	777.268302	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+2Cl"	69.938804
"552034"	1148.417752	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+2Cl"	69.938804
"1023751"	406.118852	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2Cl"	69.938804
"1243329"	821.217785	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Br"	78.918885
"1305777"	823.273772	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Cl+HCOOH"	80.974872
"1323273"	845.255729	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Cl+NaCOOH"	102.956829
"915797"	855.284486	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M-H+CF3COOH"	112.985586
"1289699"	891.261164	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Cl+CF3COOH"	148.962264
"1367542"	707.286224	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H-2H2O"	-35.012676
"1384155"	725.2962	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H-H2O"	-17.0027
"283717"	1485.605076	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+H"	1.007276
"677357"	2227.903976	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+H"	1.007276
"1352611"	743.306176	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H"	1.007276
"127686"	743.306176	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+2H"	2.014552
"566279"	1114.455626	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+2H"	2.014552
"1037509"	372.156726	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2H"	2.014552
"204594"	495.873209333333	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+3H"	3.021828
"645331"	743.306176	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+3H"	3.021828
"1164917"	248.440242666667	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+3H"	3.021828
"427456"	1502.631623	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+NH4"	18.033823
"788454"	2244.930523	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+NH4"	18.033823
"1685145"	760.332723	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+NH4"	18.033823
"333426"	751.8194495	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+H+NH4"	19.041099
"725847"	1122.9688995	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+H+NH4"	19.041099
"1483677"	380.6699995	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H+NH4"	19.041099
"393986"	1507.587018	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+Na"	22.989218
"754611"	2249.885918	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+Na"	22.989218
"1605996"	765.288118	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Na"	22.989218
"317858"	754.297147	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+H+Na"	23.996494
"720489"	1125.446597	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+H+Na"	23.996494
"1476133"	383.147697	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H+Na"	23.996494
"1066100"	255.767556666667	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2H+Na"	25.00377
"1270694"	775.332386	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+CH3OH+H"	33.033486
"386715"	1523.560958	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+K"	38.963158
"745522"	2265.859858	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+K"	38.963158
"1542472"	781.262058	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+K"	38.963158
"300738"	762.284117	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+H+K"	39.970434
"697173"	1133.433567	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+H+K"	39.970434
"1456465"	391.134667	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H+K"	39.970434
"242882"	1526.631626	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+ACN+H"	42.033826
"1223617"	784.332726	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+ACN+H"	42.033826
"1206036"	392.670001	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+ACN+2H"	43.041102
"195625"	1529.56896	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+2Na-H"	44.97116
"637373"	2271.86786	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+2Na-H"	44.97116
"1134317"	787.27006	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2Na-H"	44.97116
"185261"	765.288118	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+2Na"	45.978436
"617167"	1136.437568	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+2Na"	45.978436
"1127241"	394.138668	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2Na"	45.978436
"1399587"	263.094870666667	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H+2Na"	46.985712
"1436319"	789.311646	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H+HCOOH"	47.012746
"230389"	770.32114	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+3H2O+2H"	56.04448
"1509456"	803.36369	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+IsoProp+H"	61.06479
"415950"	773.275088	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+Na+K"	61.952376
"770868"	1144.424538	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+Na+K"	61.952376
"1667318"	402.125638	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Na+K"	61.952376
"251895"	1548.613568	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+ACN+Na"	64.015768
"1226259"	806.314668	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+ACN+Na"	64.015768
"1714101"	806.338193	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+NH4+HCOOH"	64.039293
"1180186"	270.422184666667	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+3Na"	68.967654
"1655554"	811.293588	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Na+HCOOH"	68.994688
"160229"	1561.51684	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+2K-H"	76.91904
"598693"	2303.81574	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+2K-H"	76.91904
"1087580"	819.21794	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2K-H"	76.91904
"144395"	781.262058	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"2M+2K"	77.926316
"594898"	1152.411508	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"3M+2K"	77.926316
"1079408"	410.112608	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2K"	77.926316
"1103869"	821.232492	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2K+H"	78.933592
"1347909"	821.320107	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+DMSO+H"	79.021207
"1010969"	825.359276	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2ACN+H"	83.060376
"1532378"	826.352908	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+IsoProp+Na+H"	84.054008
"998823"	413.183276	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+2ACN+2H"	84.067652
"1597701"	827.267528	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+K+HCOOH"	84.968628
"1416803"	857.299038	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+H+CF3COOH"	115.000138
"1148182"	433.696551	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+3ACN+2H"	125.094202
"1701016"	874.325585	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+NH4+CF3COOH"	132.026685
"1642137"	879.28098	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+Na+CF3COOH"	136.98208
"1573413"	895.25492	"C17683"	"Neoarctin B"	"C42H46O12"	"742.2989"	"M+K+CF3COOH"	152.95602
"807062"	536.2046	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M"	0
"980593"	517.18621	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-H2O-H"	-19.01839
"77587"	356.462457333333	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M-3H"	-3.021828
"517147"	535.197324	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M-3H"	-3.021828
"889480"	177.727590666667	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-3H"	-3.021828
"13526"	535.197324	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M-2H"	-2.014552
"450897"	803.299624	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M-2H"	-2.014552
"825417"	267.095024	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-2H"	-2.014552
"90876"	1071.401924	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M-H"	-1.007276
"523875"	1607.606524	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M-H"	-1.007276
"904957"	535.197324	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-H"	-1.007276
"54957"	1088.428471	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M-2H+NH4"	16.019271
"499983"	1624.633071	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M-2H+NH4"	16.019271
"873410"	552.223871	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-2H+NH4"	16.019271
"37302"	1093.383866	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M-2H+Na"	20.974666
"473948"	1629.588466	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M-2H+Na"	20.974666
"851384"	557.179266	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-2H+Na"	20.974666
"1622380"	557.179266	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Na-2H"	20.974666
"102557"	553.185663	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M-H+Cl"	33.962126
"543212"	821.287963	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M-H+Cl"	33.962126
"933446"	285.083363	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-H+Cl"	33.962126
"275284"	1107.378602	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+Cl"	34.969402
"668799"	1643.583202	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+Cl"	34.969402
"1276827"	571.174002	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Cl"	34.969402
"20476"	1109.357806	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M-2H+K"	36.948606
"457120"	1645.562406	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M-2H+K"	36.948606
"833582"	573.153206	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-2H+K"	36.948606
"1557681"	573.153206	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+K-2H"	36.948606
"945199"	581.202794	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-H+HCOOH"	44.998194
"363051"	1117.407401	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+HCOOH-H"	44.998201
"349121"	1131.423051	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+Hac-H"	59.013851
"1493006"	595.218451	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Hac-H"	59.013851
"959296"	603.184751	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-H+NaCOOH"	66.980151
"114768"	571.174002	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+2Cl"	69.938804
"552144"	839.276302	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+2Cl"	69.938804
"1022399"	303.071702	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2Cl"	69.938804
"1242344"	615.123485	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Br"	78.918885
"1304914"	617.179472	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Cl+HCOOH"	80.974872
"1322291"	639.161429	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Cl+NaCOOH"	102.956829
"915542"	649.190186	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M-H+CF3COOH"	112.985586
"1288840"	685.166864	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Cl+CF3COOH"	148.962264
"1367615"	501.191924	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H-2H2O"	-35.012676
"1385361"	519.2019	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H-H2O"	-17.0027
"285774"	1073.416476	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+H"	1.007276
"676368"	1609.621076	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+H"	1.007276
"1351743"	537.211876	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H"	1.007276
"126822"	537.211876	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+2H"	2.014552
"566136"	805.314176	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+2H"	2.014552
"1037738"	269.109576	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2H"	2.014552
"204786"	358.477009333333	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+3H"	3.021828
"645562"	537.211876	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+3H"	3.021828
"1162955"	179.742142666667	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+3H"	3.021828
"425014"	1090.443023	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+NH4"	18.033823
"788197"	1626.647623	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+NH4"	18.033823
"1682704"	554.238423	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+NH4"	18.033823
"333171"	545.7251495	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+H+NH4"	19.041099
"726687"	813.8274495	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+H+NH4"	19.041099
"1480508"	277.6228495	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H+NH4"	19.041099
"392856"	1095.398418	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+Na"	22.989218
"754271"	1631.603018	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+Na"	22.989218
"1602976"	559.193818	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Na"	22.989218
"317968"	548.202847	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+H+Na"	23.996494
"707957"	816.305147	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+H+Na"	23.996494
"1463599"	280.100547	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H+Na"	23.996494
"1054170"	187.069456666667	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2H+Na"	25.00377
"1269345"	569.238086	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+CH3OH+H"	33.033486
"386825"	1111.372358	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+K"	38.963158
"743809"	1647.576958	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+K"	38.963158
"1542946"	575.167758	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+K"	38.963158
"302307"	556.189817	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+H+K"	39.970434
"695095"	824.292117	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+H+K"	39.970434
"1454389"	288.087517	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H+K"	39.970434
"241899"	1114.443026	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+ACN+H"	42.033826
"1223358"	578.238426	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+ACN+H"	42.033826
"1201773"	289.622851	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+ACN+2H"	43.041102
"195735"	1117.38036	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+2Na-H"	44.97116
"632376"	1653.58496	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+2Na-H"	44.97116
"1133696"	581.17576	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2Na-H"	44.97116
"176623"	559.193818	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+2Na"	45.978436
"617275"	827.296118	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+2Na"	45.978436
"1128080"	291.091518	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2Na"	45.978436
"1401764"	194.396770666667	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H+2Na"	46.985712
"1436429"	583.217346	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H+HCOOH"	47.012746
"231592"	564.22684	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+3H2O+2H"	56.04448
"1510293"	597.26939	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+IsoProp+H"	61.06479
"416060"	567.180788	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+Na+K"	61.952376
"771585"	835.283088	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+Na+K"	61.952376
"1667551"	299.078488	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Na+K"	61.952376
"253097"	1136.424968	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+ACN+Na"	64.015768
"1226170"	600.220368	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+ACN+Na"	64.015768
"1714574"	600.243893	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+NH4+HCOOH"	64.039293
"1181752"	201.724084666667	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+3Na"	68.967654
"1654570"	605.199288	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Na+HCOOH"	68.994688
"160339"	1149.32824	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+2K-H"	76.91904
"598435"	1685.53284	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+2K-H"	76.91904
"1087689"	613.12364	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2K-H"	76.91904
"142681"	575.167758	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"2M+2K"	77.926316
"592821"	843.270058	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"3M+2K"	77.926316
"1077331"	307.065458	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2K"	77.926316
"1103979"	615.138192	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2K+H"	78.933592
"1345832"	615.225807	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+DMSO+H"	79.021207
"1012172"	619.264976	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2ACN+H"	83.060376
"1532488"	620.258608	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+IsoProp+Na+H"	84.054008
"1001120"	310.136126	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+2ACN+2H"	84.067652
"1594531"	621.173228	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+K+HCOOH"	84.968628
"1420193"	651.204738	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+H+CF3COOH"	115.000138
"1149386"	330.649401	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+3ACN+2H"	125.094202
"1701126"	668.231285	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+NH4+CF3COOH"	132.026685
"1642247"	673.18668	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+Na+CF3COOH"	136.98208
"1573523"	689.16062	"C17684"	"Lappaol A"	"C30H32O9"	"536.2046"	"M+K+CF3COOH"	152.95602
"807172"	550.2203	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M"	0
"986172"	531.20191	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-H2O-H"	-19.01839
"78442"	365.806257333333	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M-3H"	-3.021828
"516164"	549.213024	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M-3H"	-3.021828
"884122"	182.399490666667	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-3H"	-3.021828
"15502"	549.213024	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M-2H"	-2.014552
"453194"	824.323174	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M-2H"	-2.014552
"822247"	274.102874	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-2H"	-2.014552
"90986"	1099.433324	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M-H"	-1.007276
"529452"	1649.653624	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M-H"	-1.007276
"907254"	549.213024	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-H"	-1.007276
"57253"	1116.459871	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M-2H+NH4"	16.019271
"495720"	1666.680171	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M-2H+NH4"	16.019271
"872428"	566.239571	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-2H+NH4"	16.019271
"40328"	1121.415266	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M-2H+Na"	20.974666
"472598"	1671.635566	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M-2H+Na"	20.974666
"848945"	571.194966	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-2H+Na"	20.974666
"1620303"	571.194966	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Na-2H"	20.974666
"102667"	567.201363	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M-H+Cl"	33.962126
"549480"	842.311513	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M-H+Cl"	33.962126
"940117"	292.091213	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-H+Cl"	33.962126
"277581"	1135.410002	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+Cl"	34.969402
"673283"	1685.630302	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+Cl"	34.969402
"1281312"	585.189702	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Cl"	34.969402
"23867"	1137.389206	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M-2H+K"	36.948606
"457959"	1687.609506	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M-2H+K"	36.948606
"832959"	587.168906	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-2H+K"	36.948606
"1558520"	587.168906	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+K-2H"	36.948606
"945309"	595.218494	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-H+HCOOH"	44.998194
"366077"	1145.438801	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+HCOOH-H"	44.998201
"351053"	1159.454451	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+Hac-H"	59.013851
"1494059"	609.234151	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Hac-H"	59.013851
"960505"	617.200451	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-H+NaCOOH"	66.980151
"111598"	585.189702	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+2Cl"	69.938804
"550553"	860.299852	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+2Cl"	69.938804
"1021413"	310.079552	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2Cl"	69.938804
"1241354"	629.139185	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Br"	78.918885
"1304215"	631.195172	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Cl+HCOOH"	80.974872
"1321672"	653.177129	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Cl+NaCOOH"	102.956829
"911512"	663.205886	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M-H+CF3COOH"	112.985586
"1291266"	699.182564	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Cl+CF3COOH"	148.962264
"1367727"	515.207624	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H-2H2O"	-35.012676
"1388023"	533.2176	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H-H2O"	-17.0027
"286250"	1101.447876	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+H"	1.007276
"676484"	1651.668176	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+H"	1.007276
"1352103"	551.227576	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H"	1.007276
"126327"	551.227576	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+2H"	2.014552
"566133"	826.337726	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+2H"	2.014552
"1037485"	276.117426	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2H"	2.014552
"204326"	367.820809333333	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+3H"	3.021828
"645187"	551.227576	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+3H"	3.021828
"1164040"	184.414042666667	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+3H"	3.021828
"424764"	1118.474423	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+NH4"	18.033823
"785882"	1668.694723	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+NH4"	18.033823
"1682452"	568.254123	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+NH4"	18.033823
"331099"	559.7408495	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+H+NH4"	19.041099
"723885"	834.8509995	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+H+NH4"	19.041099
"1477944"	284.6306995	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H+NH4"	19.041099
"392865"	1123.429818	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+Na"	22.989218
"754458"	1673.650118	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+Na"	22.989218
"1602916"	573.209518	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Na"	22.989218
"316985"	562.218547	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+H+Na"	23.996494
"709771"	837.328697	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+H+Na"	23.996494
"1462738"	287.108397	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H+Na"	23.996494
"1053553"	191.741356666667	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2H+Na"	25.00377
"1270548"	583.253786	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+CH3OH+H"	33.033486
"385842"	1139.403758	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+K"	38.963158
"743555"	1689.624058	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+K"	38.963158
"1541962"	589.183458	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+K"	38.963158
"300594"	570.205517	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+H+K"	39.970434
"694112"	845.315667	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+H+K"	39.970434
"1457778"	295.095367	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H+K"	39.970434
"249663"	1142.474426	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+ACN+H"	42.033826
"1223835"	592.254126	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+ACN+H"	42.033826
"1204068"	296.630701	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+ACN+2H"	43.041102
"196938"	1145.41176	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+2Na-H"	44.97116
"633217"	1695.63206	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+2Na-H"	44.97116
"1135630"	595.19146	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2Na-H"	44.97116
"175639"	573.209518	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+2Na"	45.978436
"619573"	848.319668	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+2Na"	45.978436
"1121990"	298.099368	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2Na"	45.978436
"1403336"	199.068670666667	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H+2Na"	46.985712
"1437634"	597.233046	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H+HCOOH"	47.012746
"230609"	578.24254	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+3H2O+2H"	56.04448
"1509555"	611.28509	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+IsoProp+H"	61.06479
"413254"	581.196488	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+Na+K"	61.952376
"773157"	856.306638	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+Na+K"	61.952376
"1667662"	306.086338	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Na+K"	61.952376
"253094"	1164.456368	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+ACN+Na"	64.015768
"1226891"	614.236068	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+ACN+Na"	64.015768
"1714324"	614.259593	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+NH4+HCOOH"	64.039293
"1179681"	206.395984666667	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+3Na"	68.967654
"1654680"	619.214988	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Na+HCOOH"	68.994688
"162635"	1177.35964	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+2K-H"	76.91904
"600008"	1727.57994	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+2K-H"	76.91904
"1086705"	627.13934	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2K-H"	76.91904
"144615"	589.183458	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"2M+2K"	77.926316
"592931"	864.293608	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"3M+2K"	77.926316
"1079629"	314.073308	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2K"	77.926316
"1111746"	629.153892	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2K+H"	78.933592
"1347040"	629.241507	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+DMSO+H"	79.021207
"1015566"	633.280676	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2ACN+H"	83.060376
"1534785"	634.274308	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+IsoProp+Na+H"	84.054008
"999045"	317.143976	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+2ACN+2H"	84.067652
"1594642"	635.188928	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+K+HCOOH"	84.968628
"1421395"	665.220438	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+H+CF3COOH"	115.000138
"1151684"	337.657251	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+3ACN+2H"	125.094202
"1699413"	682.246985	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+NH4+CF3COOH"	132.026685
"1642357"	687.20238	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+Na+CF3COOH"	136.98208
"1574726"	703.17632	"C17685"	"Lappaol B"	"C31H34O9"	"550.2203"	"M+K+CF3COOH"	152.95602
"813478"	554.2152	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M"	0
"977533"	535.19681	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-H2O-H"	-19.01839
"77324"	368.469524	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M-3H"	-3.021828
"516274"	553.207924	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M-3H"	-3.021828
"884232"	183.731124	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-3H"	-3.021828
"14476"	553.207924	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M-2H"	-2.014552
"452211"	830.315524	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M-2H"	-2.014552
"823450"	276.100324	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-2H"	-2.014552
"87816"	1107.423124	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M-H"	-1.007276
"527375"	1661.638324	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M-H"	-1.007276
"905176"	553.207924	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-H"	-1.007276
"58457"	1124.449671	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M-2H+NH4"	16.019271
"499111"	1678.664871	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M-2H+NH4"	16.019271
"872538"	570.234471	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-2H+NH4"	16.019271
"34605"	1129.405066	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M-2H+Na"	20.974666
"472714"	1683.620266	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M-2H+Na"	20.974666
"849784"	575.189866	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-2H+Na"	20.974666
"1620049"	575.189866	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Na-2H"	20.974666
"102777"	571.196263	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M-H+Cl"	33.962126
"544527"	848.303863	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M-H+Cl"	33.962126
"938041"	294.088663	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-H+Cl"	33.962126
"277691"	1143.399802	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+Cl"	34.969402
"669020"	1697.615002	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+Cl"	34.969402
"1283610"	589.184602	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Cl"	34.969402
"23978"	1145.379006	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M-2H+K"	36.948606
"459162"	1699.594206	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M-2H+K"	36.948606
"836237"	591.163806	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-2H+K"	36.948606
"1557903"	591.163806	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+K-2H"	36.948606
"943234"	599.213394	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-H+HCOOH"	44.998194
"361726"	1153.428601	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+HCOOH-H"	44.998201
"346425"	1167.444251	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+Hac-H"	59.013851
"1494899"	613.229051	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Hac-H"	59.013851
"959157"	621.195351	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-H+NaCOOH"	66.980151
"111709"	589.184602	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+2Cl"	69.938804
"552730"	866.292202	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+2Cl"	69.938804
"1021482"	312.077002	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2Cl"	69.938804
"1241873"	633.134085	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Br"	78.918885
"1304272"	635.190072	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Cl+HCOOH"	80.974872
"1321171"	657.172029	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Cl+NaCOOH"	102.956829
"912845"	667.200786	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M-H+CF3COOH"	112.985586
"1289918"	703.177464	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Cl+CF3COOH"	148.962264
"1368202"	519.202524	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H-2H2O"	-35.012676
"1390320"	537.2125	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H-H2O"	-17.0027
"290006"	1109.437676	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+H"	1.007276
"678056"	1663.652876	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+H"	1.007276
"1354404"	555.222476	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H"	1.007276
"126197"	555.222476	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+2H"	2.014552
"567949"	832.330076	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+2H"	2.014552
"1037232"	278.114876	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2H"	2.014552
"204760"	370.484076	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+3H"	3.021828
"645297"	555.222476	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+3H"	3.021828
"1164154"	185.745676	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+3H"	3.021828
"424509"	1126.464223	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+NH4"	18.033823
"786599"	1680.679423	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+NH4"	18.033823
"1682563"	572.249023	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+NH4"	18.033823
"331570"	563.7357495	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+H+NH4"	19.041099
"723627"	840.8433495	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+H+NH4"	19.041099
"1480729"	286.6281495	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H+NH4"	19.041099
"392887"	1131.419618	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+Na"	22.989218
"754420"	1685.634818	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+Na"	22.989218
"1602881"	577.204418	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Na"	22.989218
"317095"	566.213447	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+H+Na"	23.996494
"709881"	843.321047	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+H+Na"	23.996494
"1463333"	289.105847	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H+Na"	23.996494
"1054758"	193.07299	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2H+Na"	25.00377
"1267379"	587.248686	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+CH3OH+H"	33.033486
"385954"	1147.393558	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+K"	38.963158
"746946"	1701.608758	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+K"	38.963158
"1542071"	593.178358	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+K"	38.963158
"301065"	574.200417	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+H+K"	39.970434
"692762"	851.308017	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+H+K"	39.970434
"1454608"	297.092817	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H+K"	39.970434
"248316"	1150.464226	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+ACN+H"	42.033826
"1223216"	596.249026	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+ACN+H"	42.033826
"1203087"	298.628151	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+ACN+2H"	43.041102
"197049"	1153.40156	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+2Na-H"	44.97116
"634421"	1707.61676	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+2Na-H"	44.97116
"1136834"	599.18636	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2Na-H"	44.97116
"173927"	577.204418	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+2Na"	45.978436
"617496"	854.312018	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+2Na"	45.978436
"1119912"	300.096818	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2Na"	45.978436
"1403810"	200.400304	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H+2Na"	46.985712
"1435558"	601.227946	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H+HCOOH"	47.012746
"220160"	582.23744	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+3H2O+2H"	56.04448
"1510398"	615.27999	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+IsoProp+H"	61.06479
"409721"	585.191388	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+Na+K"	61.952376
"770715"	862.298988	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+Na+K"	61.952376
"1668140"	308.083788	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Na+K"	61.952376
"252474"	1172.446168	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+ACN+Na"	64.015768
"1227368"	618.230968	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+ACN+Na"	64.015768
"1714073"	618.254493	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+NH4+HCOOH"	64.039293
"1178739"	207.727618	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+3Na"	68.967654
"1654789"	623.209888	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Na+HCOOH"	68.994688
"160923"	1185.34944	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+2K-H"	76.91904
"600118"	1739.56464	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+2K-H"	76.91904
"1087911"	631.13424	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2K-H"	76.91904
"143632"	593.178358	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"2M+2K"	77.926316
"593041"	870.285958	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"3M+2K"	77.926316
"1081927"	316.070758	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2K"	77.926316
"1114044"	633.148792	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2K+H"	78.933592
"1348244"	633.236407	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+DMSO+H"	79.021207
"1016772"	637.275576	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2ACN+H"	83.060376
"1533803"	638.269208	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+IsoProp+Na+H"	84.054008
"1000250"	319.141426	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+2ACN+2H"	84.067652
"1596940"	639.183828	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+K+HCOOH"	84.968628
"1420412"	669.215338	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+H+CF3COOH"	115.000138
"1156168"	339.654701	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+3ACN+2H"	125.094202
"1702438"	686.241885	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+NH4+CF3COOH"	132.026685
"1642467"	691.19728	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+Na+CF3COOH"	136.98208
"1573013"	707.17122	"C17686"	"Lappaol C"	"C30H34O10"	"554.2152"	"M+K+CF3COOH"	152.95602
"810672"	392.2927	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M"	0
"977643"	373.27431	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"76704"	260.521190666667	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"515291"	391.285424	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"887622"	129.756957333333	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"10575"	391.285424	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"451227"	587.431774	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"826840"	195.139074	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"91206"	783.578124	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"529672"	1175.870824	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"908566"	391.285424	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"61607"	800.604671	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"501780"	1192.897371	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"875928"	408.311971	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"37271"	805.560066	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"474646"	1197.852766	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"853540"	413.267366	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1621976"	413.267366	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"102887"	409.273763	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"543544"	605.420113	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"938151"	213.127413	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"277802"	819.554802	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"673022"	1211.847502	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1280439"	427.262102	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"26279"	821.534006	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"464743"	1213.826706	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"839266"	429.241306	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1560566"	429.241306	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"948451"	437.290894	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"371040"	829.583601	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"351643"	843.599251	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1492885"	451.306551	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"963279"	459.272851	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"114373"	427.262102	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"551017"	623.408452	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1021718"	231.115752	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1242676"	471.211585	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1306583"	473.267572	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1324809"	495.249529	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"911610"	505.278286	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1289049"	541.254964	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1369040"	357.280024	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1383979"	375.29	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"284158"	785.592676	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"679256"	1177.885376	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1353416"	393.299976	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"126182"	393.299976	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"569517"	589.446326	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1037464"	197.153626	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"204630"	262.535742666667	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"645407"	393.299976	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1163898"	131.771509333333	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"425227"	802.619223	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"787071"	1194.911923	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1684859"	410.326523	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"334597"	401.8132495	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"724830"	597.9595995	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1479747"	205.6668995	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"393928"	807.574618	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"755411"	1199.867318	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1604603"	415.281918	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"315378"	404.290947	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"707924"	600.437297	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1463079"	208.144597	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1054378"	139.098823333333	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1265303"	425.326186	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"384968"	823.548558	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"741953"	1215.841258	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1542181"	431.255858	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"301541"	412.277917	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"693964"	608.424267	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1451438"	216.131567	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"242227"	826.619226	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1220405"	434.326526	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1205381"	217.666901	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"198252"	829.55656	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"631614"	1221.84926	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1136943"	437.26386	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"175127"	415.281918	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"615413"	611.428268	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1121115"	219.135568	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1401369"	146.426137333333	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1430560"	439.305446	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"220536"	420.31494	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1509168"	453.35749	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"408765"	423.268888	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"770124"	619.415238	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1666216"	227.122538	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"251720"	848.601168	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1226740"	456.308468	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1714540"	456.331993	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1179537"	153.753451333333	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1650158"	461.287388	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"160668"	861.50444	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"599255"	1253.79714	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1086198"	469.21174	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"142404"	431.255858	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"587682"	627.402208	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1078755"	235.109508	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1108683"	471.226292	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1348716"	471.313907	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1016882"	475.353076	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1533913"	476.346708	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"995987"	238.180176	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1589396"	477.261328	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1418334"	507.292838	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1149717"	258.693451	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1699267"	524.319385	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1642577"	529.27478	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1573123"	545.24872	"C17687"	"Allodeoxycholate;5alpha-Deoxycholic acid;3alpha12alpha-Dihydroxy-5alpha-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"814062"	330.0531	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M"	0
"978846"	311.03471	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-H2O-H"	-19.01839
"78331"	219.028124	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M-3H"	-3.021828
"517587"	329.045824	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M-3H"	-3.021828
"887732"	109.010424	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-3H"	-3.021828
"15058"	329.045824	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M-2H"	-2.014552
"454616"	494.072374	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M-2H"	-2.014552
"830230"	164.019274	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-2H"	-2.014552
"93504"	659.098924	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M-H"	-1.007276
"531968"	989.152024	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M-H"	-1.007276
"908676"	329.045824	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-H"	-1.007276
"61715"	676.125471	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M-2H+NH4"	16.019271
"502006"	1006.178571	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M-2H+NH4"	16.019271
"876038"	346.072371	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-2H+NH4"	16.019271
"43941"	681.080866	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M-2H+Na"	20.974666
"478036"	1011.133966	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M-2H+Na"	20.974666
"855837"	351.027766	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-2H+Na"	20.974666
"1621722"	351.027766	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Na-2H"	20.974666
"102997"	347.034163	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M-H+Cl"	33.962126
"546933"	512.060713	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M-H+Cl"	33.962126
"939354"	182.007613	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-H+Cl"	33.962126
"279734"	695.075602	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+Cl"	34.969402
"673497"	1025.128702	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+Cl"	34.969402
"1282735"	365.022502	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Cl"	34.969402
"28211"	697.054806	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M-2H+K"	36.948606
"468132"	1027.107906	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M-2H+K"	36.948606
"838282"	367.001706	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-2H+K"	36.948606
"1563959"	367.001706	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+K-2H"	36.948606
"949653"	375.051294	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-H+HCOOH"	44.998194
"368962"	705.104401	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+HCOOH-H"	44.998201
"350657"	719.120051	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+Hac-H"	59.013851
"1494146"	389.066951	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Hac-H"	59.013851
"961566"	397.033251	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-H+NaCOOH"	66.980151
"114483"	365.022502	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+2Cl"	69.938804
"554408"	530.049052	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+2Cl"	69.938804
"1022233"	199.995952	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2Cl"	69.938804
"1244608"	408.971985	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Br"	78.918885
"1306328"	411.027972	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Cl+HCOOH"	80.974872
"1323826"	433.009929	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Cl+NaCOOH"	102.956829
"911966"	443.038686	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M-H+CF3COOH"	112.985586
"1288477"	479.015364	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Cl+CF3COOH"	148.962264
"1368421"	295.040424	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H-2H2O"	-35.012676
"1382752"	313.0504	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H-H2O"	-17.0027
"284268"	661.113476	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+H"	1.007276
"676446"	991.166576	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+H"	1.007276
"1352795"	331.060376	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H"	1.007276
"125712"	331.060376	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+2H"	2.014552
"569627"	496.086926	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+2H"	2.014552
"1037246"	166.033826	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2H"	2.014552
"204622"	221.042676	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+3H"	3.021828
"644366"	331.060376	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+3H"	3.021828
"1163644"	111.024976	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+3H"	3.021828
"424976"	678.140023	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+NH4"	18.033823
"787182"	1008.193123	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+NH4"	18.033823
"1683510"	348.086923	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+NH4"	18.033823
"332883"	339.5736495	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+H+NH4"	19.041099
"724938"	504.6001995	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+H+NH4"	19.041099
"1478761"	174.5470995	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H+NH4"	19.041099
"393429"	683.095418	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+Na"	22.989218
"755032"	1013.148518	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+Na"	22.989218
"1603375"	353.042318	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Na"	22.989218
"316219"	342.051347	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+H+Na"	23.996494
"710096"	507.077897	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+H+Na"	23.996494
"1465011"	177.024797	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H+Na"	23.996494
"1054004"	118.35229	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2H+Na"	25.00377
"1267599"	363.086586	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+CH3OH+H"	33.033486
"383984"	699.069358	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+K"	38.963158
"743884"	1029.122458	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+K"	38.963158
"1544842"	369.016258	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+K"	38.963158
"301287"	350.038317	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+H+K"	39.970434
"694804"	515.064867	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+H+K"	39.970434
"1451547"	185.011767	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H+K"	39.970434
"240150"	702.140026	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+ACN+H"	42.033826
"1221608"	372.086926	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+ACN+H"	42.033826
"1206584"	186.547101	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+ACN+2H"	43.041102
"196175"	705.07736	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+2Na-H"	44.97116
"631359"	1035.13046	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+2Na-H"	44.97116
"1140333"	375.02426	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2Na-H"	44.97116
"178156"	353.042318	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+2Na"	45.978436
"614430"	518.068868	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+2Na"	45.978436
"1117092"	188.015768	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2Na"	45.978436
"1401110"	125.679604	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H+2Na"	46.985712
"1433227"	377.065846	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H+HCOOH"	47.012746
"223651"	358.07534	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+3H2O+2H"	56.04448
"1508570"	391.11789	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+IsoProp+H"	61.06479
"408918"	361.029288	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+Na+K"	61.952376
"770480"	526.055838	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+Na+K"	61.952376
"1665656"	196.002738	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Na+K"	61.952376
"251513"	724.121968	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+ACN+Na"	64.015768
"1225738"	394.068868	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+ACN+Na"	64.015768
"1714651"	394.092393	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+NH4+HCOOH"	64.039293
"1180740"	133.006918	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+3Na"	68.967654
"1650997"	399.047788	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Na+HCOOH"	68.994688
"159684"	737.02524	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+2K-H"	76.91904
"598271"	1067.07834	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+2K-H"	76.91904
"1087037"	406.97214	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2K-H"	76.91904
"143851"	369.016258	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"2M+2K"	77.926316
"588885"	534.042808	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"3M+2K"	77.926316
"1076678"	203.989708	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2K"	77.926316
"1107699"	408.986692	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2K+H"	78.933592
"1349190"	409.074307	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+DMSO+H"	79.021207
"1014805"	413.113476	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2ACN+H"	83.060376
"1535115"	414.107108	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+IsoProp+Na+H"	84.054008
"995003"	207.060376	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+2ACN+2H"	84.067652
"1589506"	415.021728	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+K+HCOOH"	84.968628
"1419537"	445.053238	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+H+CF3COOH"	115.000138
"1148005"	227.573651	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+3ACN+2H"	125.094202
"1698283"	462.079785	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+NH4+CF3COOH"	132.026685
"1639407"	467.03518	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+Na+CF3COOH"	136.98208
"1572503"	483.00912	"C17688"	"Aluminum acetoacetate"	"(C4H5O3)3Al"	"330.0531"	"M+K+CF3COOH"	152.95602
"814172"	1141.3973	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M"	0
"981143"	1122.37891	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H2O-H"	-19.01839
"78541"	759.924257333333	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-3H"	-3.021828
"517697"	1140.390024	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-3H"	-3.021828
"887842"	379.458490666667	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-3H"	-3.021828
"15713"	1140.390024	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H"	-2.014552
"453270"	1711.088674	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H"	-2.014552
"829247"	569.691374	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H"	-2.014552
"92885"	2281.787324	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-H"	-1.007276
"528798"	3423.184624	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-H"	-1.007276
"905506"	1140.390024	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H"	-1.007276
"61946"	2298.813871	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+NH4"	16.019271
"502479"	3440.211171	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+NH4"	16.019271
"873961"	1157.416571	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+NH4"	16.019271
"40771"	2303.769266	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+Na"	20.974666
"474866"	3445.166566	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+Na"	20.974666
"852667"	1162.371966	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+Na"	20.974666
"1622197"	1162.371966	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na-2H"	20.974666
"103107"	1158.378363	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-H+Cl"	33.962126
"544857"	1729.077013	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-H+Cl"	33.962126
"939464"	587.679713	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+Cl"	33.962126
"280210"	2317.764002	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Cl"	34.969402
"673970"	3459.161302	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Cl"	34.969402
"1282845"	1176.366702	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl"	34.969402
"27956"	2319.743206	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M-2H+K"	36.948606
"464962"	3461.140506	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M-2H+K"	36.948606
"838392"	1178.345906	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-2H+K"	36.948606
"1562975"	1178.345906	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K-2H"	36.948606
"947577"	1186.395494	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+HCOOH"	44.998194
"370165"	2327.792801	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+HCOOH-H"	44.998201
"352954"	2341.808451	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Hac-H"	59.013851
"1494500"	1200.411151	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Hac-H"	59.013851
"961312"	1208.377451	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+NaCOOH"	66.980151
"117145"	1176.366702	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Cl"	69.938804
"553424"	1747.065352	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Cl"	69.938804
"1022588"	605.668052	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Cl"	69.938804
"1244718"	1220.316185	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Br"	78.918885
"1308260"	1222.372172	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+HCOOH"	80.974872
"1323936"	1244.354129	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+NaCOOH"	102.956829
"911506"	1254.382886	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M-H+CF3COOH"	112.985586
"1288738"	1290.359564	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Cl+CF3COOH"	148.962264
"1368407"	1106.384624	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H-2H2O"	-35.012676
"1382931"	1124.3946	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H-H2O"	-17.0027
"283529"	2283.801876	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H"	1.007276
"676192"	3425.199176	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H"	1.007276
"1351812"	1142.404576	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H"	1.007276
"127256"	1142.404576	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2H"	2.014552
"570467"	1713.103226	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2H"	2.014552
"1037109"	571.705926	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2H"	2.014552
"204977"	761.938809333333	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+3H"	3.021828
"647820"	1142.404576	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+3H"	3.021828
"1164852"	381.473042666667	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3H"	3.021828
"425087"	2300.828423	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+NH4"	18.033823
"786565"	3442.225723	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+NH4"	18.033823
"1682525"	1159.431123	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4"	18.033823
"332262"	1150.9178495	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+NH4"	19.041099
"724081"	1721.6164995	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+NH4"	19.041099
"1479600"	580.2191995	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+NH4"	19.041099
"392831"	2305.783818	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Na"	22.989218
"754414"	3447.181118	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Na"	22.989218
"1603242"	1164.386518	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na"	22.989218
"316329"	1153.395547	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+Na"	23.996494
"712394"	1724.094197	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+Na"	23.996494
"1467307"	582.696897	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+Na"	23.996494
"1055814"	388.800356666667	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2H+Na"	25.00377
"1267709"	1174.430786	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+CH3OH+H"	33.033486
"386281"	2321.757758	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+K"	38.963158
"742901"	3463.155058	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+K"	38.963158
"1544952"	1180.360458	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K"	38.963158
"301033"	1161.382517	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+H+K"	39.970434
"695643"	1732.081167	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+H+K"	39.970434
"1447274"	590.683867	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+K"	39.970434
"240260"	2324.828426	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+ACN+H"	42.033826
"1223177"	1183.431126	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+H"	42.033826
"1203414"	592.219201	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+2H"	43.041102
"199565"	2327.76576	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Na-H"	44.97116
"633656"	3469.16306	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Na-H"	44.97116
"1143723"	1186.36846	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Na-H"	44.97116
"177171"	1164.386518	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2Na"	45.978436
"614177"	1735.085168	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2Na"	45.978436
"1116587"	593.687868	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2Na"	45.978436
"1403776"	396.127670666667	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+2Na"	46.985712
"1436985"	1188.410046	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+HCOOH"	47.012746
"228867"	1169.41954	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+3H2O+2H"	56.04448
"1511095"	1202.46209	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+IsoProp+H"	61.06479
"408955"	1172.373488	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+Na+K"	61.952376
"770071"	1743.072138	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+Na+K"	61.952376
"1666403"	601.674838	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+K"	61.952376
"251566"	2346.810368	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+ACN+Na"	64.015768
"1225618"	1205.413068	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+ACN+Na"	64.015768
"1714886"	1205.436593	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4+HCOOH"	64.039293
"1183040"	403.454984666667	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3Na"	68.967654
"1652930"	1210.391988	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+HCOOH"	68.994688
"166357"	2359.71364	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2K-H"	76.91904
"601540"	3501.11094	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2K-H"	76.91904
"1089334"	1218.31634	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K-H"	76.91904
"143963"	1180.360458	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"2M+2K"	77.926316
"594828"	1751.059108	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"3M+2K"	77.926316
"1079709"	609.661808	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K"	77.926316
"1107817"	1220.330892	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2K+H"	78.933592
"1345297"	1220.418507	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+DMSO+H"	79.021207
"1014918"	1224.457676	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2ACN+H"	83.060376
"1536690"	1225.451308	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+IsoProp+Na+H"	84.054008
"1001677"	612.732476	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+2ACN+2H"	84.067652
"1598365"	1226.365928	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K+HCOOH"	84.968628
"1420743"	1256.397438	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+H+CF3COOH"	115.000138
"1158688"	633.245751	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+3ACN+2H"	125.094202
"1704957"	1273.423985	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+NH4+CF3COOH"	132.026685
"1642797"	1278.37938	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+Na+CF3COOH"	136.98208
"1574074"	1294.35332	"C17689"	"Ursodeoxycholoyl-CoA;3alpha7beta-Dihydroxy-5beta-cholanoyl-CoA"	"C45H74N7O19P3S"	"1141.3973"	"M+K+CF3COOH"	152.95602
"807721"	166.0994	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M"	0
"977973"	147.08101	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"72776"	109.725657333333	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"513431"	165.092124	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"882484"	54.3591906666667	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"3246"	165.092124	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"442805"	248.141824	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"828264"	82.042424	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"90444"	331.191524	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"527815"	497.290924	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"900148"	165.092124	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"56710"	348.218071	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"496270"	514.317471	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"870791"	182.118671	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"40880"	353.173466	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"478256"	519.272866	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"856057"	187.074066	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1620121"	187.074066	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"106497"	183.080463	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"547881"	266.130163	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"938481"	100.030763	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"279225"	367.168202	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"672741"	533.267602	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1286237"	201.068802	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"27337"	369.147406	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"465072"	535.246806	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"839597"	203.048006	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1561992"	203.048006	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"949873"	211.097594	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"370277"	377.197001	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"351971"	391.212651	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1494244"	225.113251	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"961422"	233.079551	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"116162"	201.068802	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"553534"	284.118502	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1024156"	118.019102	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1246286"	245.018285	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1308006"	247.074272	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1327326"	269.056229	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"911901"	279.084986	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1289094"	315.061664	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1368154"	131.086724	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1383459"	149.0967	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"283883"	333.206076	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"676017"	499.305476	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1352653"	167.106676	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"127002"	167.106676	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"565844"	250.156376	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1037199"	84.056976	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"204513"	111.740209333333	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"644762"	167.106676	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1162887"	56.3737426666667	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"425197"	350.232623	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"785940"	516.332023	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1681741"	184.133223	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"330912"	175.6199495	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"725163"	258.6696495	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1478010"	92.5702495	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"393073"	355.188018	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"754512"	521.287418	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1603136"	189.088618	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"316439"	178.097647	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"712505"	261.147347	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1466324"	95.047947	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1058475"	63.7010566666667	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1260156"	199.132886	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"385297"	371.161958	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"745195"	537.261358	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1543967"	205.062558	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"302237"	186.084617	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"696846"	269.134317	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1449572"	103.034917	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"240370"	374.232626	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1221465"	208.133226	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1203524"	104.570251	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"199675"	377.16996	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"633766"	543.26936	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1140553"	211.07056	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"175458"	189.088618	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"615747"	272.138318	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1118158"	106.038918	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1407166"	71.0283706666667	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1437095"	213.112146	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"230070"	194.12164	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1518130"	227.16419	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"408615"	197.075588	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"770337"	280.125288	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1667488"	114.025888	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"251688"	396.214568	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1225615"	230.115168	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1714511"	230.138693	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1183150"	78.3556846666667	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1653040"	235.094088	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"166467"	409.11784	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"598371"	575.21724	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1089444"	243.01844	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"143344"	205.062558	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"594573"	288.112258	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1079087"	122.012858	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1109020"	245.032992	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1345405"	245.120607	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1015028"	249.159776	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1535342"	250.153408	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"1000693"	125.083526	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1595195"	251.068028	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1420853"	281.099538	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1158798"	145.596801	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1705067"	298.126085	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1642907"	303.08148	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1574184"	319.05542	"C17690"	"4-(4-Hydroxyphenyl)-2-butanol;4-HPB;Rhododendrol;Betuligenol"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"811111"	192.0634	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M"	0
"984280"	173.04501	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H2O-H"	-19.01839
"72886"	127.034990666667	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-3H"	-3.021828
"513541"	191.056124	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-3H"	-3.021828
"881501"	63.0138573333333	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-3H"	-3.021828
"6636"	191.056124	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H"	-2.014552
"442915"	287.087824	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H"	-2.014552
"827280"	95.024424	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H"	-2.014552
"90918"	383.119524	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-H"	-1.007276
"530846"	575.182924	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-H"	-1.007276
"902446"	191.056124	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H"	-1.007276
"54633"	400.146071	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H+NH4"	16.019271
"492006"	592.209471	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H+NH4"	16.019271
"866162"	208.082671	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H+NH4"	16.019271
"37710"	405.101466	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H+Na"	20.974666
"475086"	597.164866	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H+Na"	20.974666
"856167"	213.038066	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H+Na"	20.974666
"1619138"	213.038066	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na-2H"	20.974666
"106247"	209.044463	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-H+Cl"	33.962126
"546898"	305.076163	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-H+Cl"	33.962126
"938591"	113.012763	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+Cl"	33.962126
"278245"	419.096202	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Cl"	34.969402
"670667"	611.159602	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+Cl"	34.969402
"1285255"	227.032802	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl"	34.969402
"27447"	421.075406	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H+K"	36.948606
"459718"	613.138806	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H+K"	36.948606
"839707"	229.012006	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H+K"	36.948606
"1564289"	229.012006	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K-2H"	36.948606
"949983"	237.061594	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+HCOOH"	44.998194
"371479"	429.125001	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+HCOOH-H"	44.998201
"353174"	443.140651	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Hac-H"	59.013851
"1495811"	251.077251	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Hac-H"	59.013851
"963355"	259.043551	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+NaCOOH"	66.980151
"116272"	227.032802	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2Cl"	69.938804
"556927"	323.064502	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2Cl"	69.938804
"1024632"	131.001102	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2Cl"	69.938804
"1246397"	270.982285	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Br"	78.918885
"1307023"	273.038272	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl+HCOOH"	80.974872
"1329624"	295.020229	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl+NaCOOH"	102.956829
"911609"	305.048986	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+CF3COOH"	112.985586
"1288596"	341.025664	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl+CF3COOH"	148.962264
"1367536"	157.050724	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H-2H2O"	-35.012676
"1386129"	175.0607	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H-H2O"	-17.0027
"288368"	385.134076	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H"	1.007276
"676780"	577.197476	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H"	1.007276
"1352274"	193.070676	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H"	1.007276
"127477"	193.070676	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2H"	2.014552
"566149"	289.102376	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2H"	2.014552
"1037416"	97.038976	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2H"	2.014552
"204748"	129.049542666667	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+3H"	3.021828
"644751"	193.070676	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+3H"	3.021828
"1163121"	65.0284093333333	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+3H"	3.021828
"426159"	402.160623	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+NH4"	18.033823
"786420"	594.224023	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+NH4"	18.033823
"1681902"	210.097223	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+NH4"	18.033823
"331264"	201.5839495	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H+NH4"	19.041099
"723323"	297.6156495	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H+NH4"	19.041099
"1478115"	105.5522495	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+NH4"	19.041099
"393105"	407.116018	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Na"	22.989218
"754425"	599.179418	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+Na"	22.989218
"1603130"	215.052618	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na"	22.989218
"316913"	204.061647	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H+Na"	23.996494
"710427"	300.093347	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H+Na"	23.996494
"1463153"	108.029947	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+Na"	23.996494
"1054211"	72.3557233333333	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2H+Na"	25.00377
"1258079"	225.096886	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+CH3OH+H"	33.033486
"386500"	423.089958	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+K"	38.963158
"744212"	615.153358	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+K"	38.963158
"1545170"	231.026558	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K"	38.963158
"299794"	212.048617	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H+K"	39.970434
"691445"	308.080317	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H+K"	39.970434
"1451868"	116.016917	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+K"	39.970434
"241573"	426.160626	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+ACN+H"	42.033826
"1216470"	234.097226	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+ACN+H"	42.033826
"1204726"	117.552251	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+ACN+2H"	43.041102
"194318"	429.09796	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2Na-H"	44.97116
"633876"	621.16136	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2Na-H"	44.97116
"1137382"	237.03456	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2Na-H"	44.97116
"175204"	215.052618	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2Na"	45.978436
"614762"	311.084318	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2Na"	45.978436
"1116076"	119.020918	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2Na"	45.978436
"1407276"	79.6830373333333	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+2Na"	46.985712
"1440482"	239.076146	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+HCOOH"	47.012746
"230177"	220.08564	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+3H2O+2H"	56.04448
"1516052"	253.12819	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+IsoProp+H"	61.06479
"419019"	223.039588	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Na+K"	61.952376
"775642"	319.071288	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+Na+K"	61.952376
"1667598"	127.007888	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na+K"	61.952376
"252659"	448.142568	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+ACN+Na"	64.015768
"1225776"	256.079168	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+ACN+Na"	64.015768
"1715714"	256.102693	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+NH4+HCOOH"	64.039293
"1188728"	87.0103513333333	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+3Na"	68.967654
"1654246"	261.058088	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na+HCOOH"	68.994688
"167670"	461.04584	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2K-H"	76.91904
"598481"	653.10924	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2K-H"	76.91904
"1088461"	268.98244	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2K-H"	76.91904
"145277"	231.026558	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2K"	77.926316
"593956"	327.058258	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2K"	77.926316
"1077007"	134.994858	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2K"	77.926316
"1108038"	270.996992	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2K+H"	78.933592
"1346606"	271.084607	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+DMSO+H"	79.021207
"1017324"	275.123776	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2ACN+H"	83.060376
"1534356"	276.117408	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+IsoProp+Na+H"	84.054008
"1000804"	138.065526	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2ACN+2H"	84.067652
"1599679"	277.032028	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K+HCOOH"	84.968628
"1426432"	307.063538	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+CF3COOH"	115.000138
"1160001"	158.578801	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+3ACN+2H"	125.094202
"1710646"	324.090085	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+NH4+CF3COOH"	132.026685
"1646298"	329.04548	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na+CF3COOH"	136.98208
"1574294"	345.01942	"C17691"	"2-epi-5-epi-Valiolone;(2S3S4S5R)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K+CF3COOH"	152.95602
"811221"	272.0297	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M"	0
"985848"	253.01131	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H2O-H"	-19.01839
"71903"	180.345857333333	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-3H"	-3.021828
"516567"	271.022424	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-3H"	-3.021828
"881975"	89.6692906666667	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-3H"	-3.021828
"5653"	271.022424	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H"	-2.014552
"441201"	407.037274	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H"	-2.014552
"827390"	135.007574	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H"	-2.014552
"91030"	543.052124	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-H"	-1.007276
"531315"	815.081824	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-H"	-1.007276
"905836"	271.022424	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H"	-1.007276
"51462"	560.078671	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H+NH4"	16.019271
"492116"	832.108371	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H+NH4"	16.019271
"871011"	288.048971	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H+NH4"	16.019271
"41100"	565.034066	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H+Na"	20.974666
"481756"	837.063766	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H+Na"	20.974666
"859557"	293.004366	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H+Na"	20.974666
"1623622"	293.004366	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na-2H"	20.974666
"107814"	289.010763	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-H+Cl"	33.962126
"547371"	425.025613	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-H+Cl"	33.962126
"940161"	152.995913	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+Cl"	33.962126
"278720"	579.028802	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Cl"	34.969402
"671508"	851.058502	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+Cl"	34.969402
"1285000"	306.999102	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl"	34.969402
"27557"	581.008006	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H+K"	36.948606
"463108"	853.037706	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H+K"	36.948606
"843097"	308.978306	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H+K"	36.948606
"1564399"	308.978306	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K-2H"	36.948606
"951189"	317.027894	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+HCOOH"	44.998194
"373776"	589.057601	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+HCOOH-H"	44.998201
"350732"	603.073251	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Hac-H"	59.013851
"1495192"	331.043551	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Hac-H"	59.013851
"965289"	339.009851	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+NaCOOH"	66.980151
"116383"	306.999102	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2Cl"	69.938804
"553390"	443.013952	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2Cl"	69.938804
"1022189"	170.984252	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2Cl"	69.938804
"1245048"	350.948585	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Br"	78.918885
"1309321"	353.004572	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl+HCOOH"	80.974872
"1328641"	374.986529	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl+NaCOOH"	102.956829
"912527"	385.015286	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+CF3COOH"	112.985586
"1290574"	420.991964	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl+CF3COOH"	148.962264
"1368737"	237.017024	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H-2H2O"	-35.012676
"1386239"	255.027	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H-H2O"	-17.0027
"288478"	545.066676	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H"	1.007276
"678713"	817.096376	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H"	1.007276
"1353599"	273.036976	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H"	1.007276
"130141"	273.036976	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2H"	2.014552
"566544"	409.051826	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2H"	2.014552
"1037243"	137.022126	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2H"	2.014552
"204457"	182.360409333333	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+3H"	3.021828
"644539"	273.036976	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+3H"	3.021828
"1165184"	91.6838426666667	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+3H"	3.021828
"426270"	562.093223	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+NH4"	18.033823
"786288"	834.122923	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+NH4"	18.033823
"1683594"	290.063523	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+NH4"	18.033823
"331135"	281.5502495	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H+NH4"	19.041099
"724288"	417.5650995	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H+NH4"	19.041099
"1478834"	145.5353995	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+NH4"	19.041099
"393626"	567.048618	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Na"	22.989218
"755472"	839.078318	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+Na"	22.989218
"1603449"	295.018918	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na"	22.989218
"320303"	284.027947	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H+Na"	23.996494
"712723"	420.042797	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H+Na"	23.996494
"1468732"	148.013097	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+Na"	23.996494
"1058696"	99.0111566666667	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2H+Na"	25.00377
"1262561"	305.063186	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+CH3OH+H"	33.033486
"380044"	583.022558	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+K"	38.963158
"744321"	855.052258	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+K"	38.963158
"1543093"	310.992858	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K"	38.963158
"299416"	292.014917	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H+K"	39.970434
"694147"	428.029767	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H+K"	39.970434
"1453072"	156.000067	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+K"	39.970434
"241679"	586.093226	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+ACN+H"	42.033826
"1216580"	314.063526	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+ACN+H"	42.033826
"1200462"	157.535401	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+ACN+2H"	43.041102
"197709"	589.03056	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2Na-H"	44.97116
"640546"	861.06026	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2Na-H"	44.97116
"1142232"	317.00086	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2Na-H"	44.97116
"180782"	295.018918	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2Na"	45.978436
"613900"	431.033768	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2Na"	45.978436
"1115836"	159.004068	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2Na"	45.978436
"1404106"	106.338470666667	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+2Na"	46.985712
"1436219"	319.042446	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+HCOOH"	47.012746
"229194"	300.05194	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+3H2O+2H"	56.04448
"1516162"	333.09449	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+IsoProp+H"	61.06479
"413661"	303.005888	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Na+K"	61.952376
"773565"	439.020738	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+Na+K"	61.952376
"1667708"	166.991038	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na+K"	61.952376
"252768"	608.075168	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+ACN+Na"	64.015768
"1226164"	336.045468	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+ACN+Na"	64.015768
"1714001"	336.068993	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+NH4+HCOOH"	64.039293
"1187745"	113.665784666667	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+3Na"	68.967654
"1651076"	341.024388	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na+HCOOH"	68.994688
"168873"	620.97844	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2K-H"	76.91904
"598226"	893.00814	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2K-H"	76.91904
"1087478"	348.94874	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2K-H"	76.91904
"148667"	310.992858	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2K"	77.926316
"587142"	447.007708	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2K"	77.926316
"1073837"	174.978008	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2K"	77.926316
"1101584"	350.963292	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2K+H"	78.933592
"1341251"	351.050907	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+DMSO+H"	79.021207
"1007592"	355.090076	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2ACN+H"	83.060376
"1532279"	356.083708	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+IsoProp+Na+H"	84.054008
"997634"	178.048676	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2ACN+2H"	84.067652
"1597602"	356.998328	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K+HCOOH"	84.968628
"1426542"	387.029838	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+CF3COOH"	115.000138
"1157925"	198.561951	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+3ACN+2H"	125.094202
"1708569"	404.056385	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+NH4+CF3COOH"	132.026685
"1646408"	409.01178	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na+CF3COOH"	136.98208
"1580965"	424.98572	"C17692"	"2-epi-5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K+CF3COOH"	152.95602
"811331"	272.0297	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M"	0
"978303"	253.01131	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H2O-H"	-19.01839
"65451"	180.345857333333	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-3H"	-3.021828
"513761"	271.022424	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-3H"	-3.021828
"888282"	89.6692906666667	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-3H"	-3.021828
"2483"	271.022424	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H"	-2.014552
"442404"	407.037274	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H"	-2.014552
"827500"	135.007574	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H"	-2.014552
"92231"	543.052124	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-H"	-1.007276
"528145"	815.081824	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-H"	-1.007276
"905946"	271.022424	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H"	-1.007276
"51572"	560.078671	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H+NH4"	16.019271
"492226"	832.108371	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H+NH4"	16.019271
"867841"	288.048971	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H+NH4"	16.019271
"35742"	565.034066	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H+Na"	20.974666
"485146"	837.063766	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H+Na"	20.974666
"859667"	293.004366	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H+Na"	20.974666
"1622638"	293.004366	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na-2H"	20.974666
"107925"	289.010763	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-H+Cl"	33.962126
"548576"	425.025613	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-H+Cl"	33.962126
"940634"	152.995913	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+Cl"	33.962126
"278463"	579.028802	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Cl"	34.969402
"670888"	851.058502	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+Cl"	34.969402
"1281099"	306.999102	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl"	34.969402
"25481"	581.008006	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M-2H+K"	36.948606
"461032"	853.037706	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M-2H+K"	36.948606
"839927"	308.978306	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-2H+K"	36.948606
"1567790"	308.978306	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K-2H"	36.948606
"954580"	317.027894	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+HCOOH"	44.998194
"372793"	589.057601	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+HCOOH-H"	44.998201
"355583"	603.073251	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Hac-H"	59.013851
"1497492"	331.043551	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Hac-H"	59.013851
"963577"	339.009851	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+NaCOOH"	66.980151
"115764"	306.999102	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2Cl"	69.938804
"553501"	443.013952	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2Cl"	69.938804
"1022420"	170.984252	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2Cl"	69.938804
"1246253"	350.948585	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Br"	78.918885
"1311254"	353.004572	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl+HCOOH"	80.974872
"1328751"	374.986529	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl+NaCOOH"	102.956829
"913247"	385.015286	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M-H+CF3COOH"	112.985586
"1290688"	420.991964	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Cl+CF3COOH"	148.962264
"1371766"	237.017024	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H-2H2O"	-35.012676
"1383796"	255.027	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H-H2O"	-17.0027
"287859"	545.066676	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H"	1.007276
"679187"	817.096376	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H"	1.007276
"1354806"	273.036976	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H"	1.007276
"129154"	273.036976	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2H"	2.014552
"566897"	409.051826	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2H"	2.014552
"1037763"	137.022126	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2H"	2.014552
"204688"	182.360409333333	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+3H"	3.021828
"644732"	273.036976	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+3H"	3.021828
"1165294"	91.6838426666667	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+3H"	3.021828
"425650"	562.093223	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+NH4"	18.033823
"785912"	834.122923	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+NH4"	18.033823
"1683704"	290.063523	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+NH4"	18.033823
"330277"	281.5502495	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H+NH4"	19.041099
"723670"	417.5650995	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H+NH4"	19.041099
"1479312"	145.5353995	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+NH4"	19.041099
"393491"	567.048618	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Na"	22.989218
"755461"	839.078318	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+Na"	22.989218
"1603071"	295.018918	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na"	22.989218
"319320"	284.027947	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H+Na"	23.996494
"710646"	420.042797	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H+Na"	23.996494
"1464467"	148.013097	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+Na"	23.996494
"1057713"	99.0111566666667	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2H+Na"	25.00377
"1259389"	305.063186	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+CH3OH+H"	33.033486
"380517"	583.022558	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+K"	38.963158
"745525"	855.052258	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+K"	38.963158
"1541015"	310.992858	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K"	38.963158
"300374"	292.014917	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+H+K"	39.970434
"692798"	428.029767	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+H+K"	39.970434
"1452089"	156.000067	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+K"	39.970434
"238510"	586.093226	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+ACN+H"	42.033826
"1217783"	314.063526	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+ACN+H"	42.033826
"1198386"	157.535401	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+ACN+2H"	43.041102
"197818"	589.03056	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2Na-H"	44.97116
"638470"	861.06026	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2Na-H"	44.97116
"1144530"	317.00086	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2Na-H"	44.97116
"180891"	295.018918	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2Na"	45.978436
"613280"	431.033768	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2Na"	45.978436
"1117637"	159.004068	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2Na"	45.978436
"1399832"	106.338470666667	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+2Na"	46.985712
"1435236"	319.042446	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+HCOOH"	47.012746
"227118"	300.05194	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+3H2O+2H"	56.04448
"1514085"	333.09449	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+IsoProp+H"	61.06479
"408868"	303.005888	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+Na+K"	61.952376
"773675"	439.020738	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+Na+K"	61.952376
"1665624"	166.991038	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na+K"	61.952376
"251658"	608.075168	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+ACN+Na"	64.015768
"1225704"	336.045468	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+ACN+Na"	64.015768
"1713747"	336.068993	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+NH4+HCOOH"	64.039293
"1183845"	113.665784666667	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+3Na"	68.967654
"1655558"	341.024388	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na+HCOOH"	68.994688
"165703"	620.97844	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2K-H"	76.91904
"597608"	893.00814	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2K-H"	76.91904
"1087588"	348.94874	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2K-H"	76.91904
"145497"	310.992858	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"2M+2K"	77.926316
"591625"	447.007708	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"3M+2K"	77.926316
"1072854"	174.978008	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2K"	77.926316
"1109348"	350.963292	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2K+H"	78.933592
"1343547"	351.050907	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+DMSO+H"	79.021207
"1012076"	355.090076	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2ACN+H"	83.060376
"1533482"	356.083708	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+IsoProp+Na+H"	84.054008
"999929"	178.048676	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+2ACN+2H"	84.067652
"1596618"	356.998328	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K+HCOOH"	84.968628
"1425559"	387.029838	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+H+CF3COOH"	115.000138
"1159128"	198.561951	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+3ACN+2H"	125.094202
"1708679"	404.056385	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+NH4+CF3COOH"	132.026685
"1646518"	409.01178	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+Na+CF3COOH"	136.98208
"1581075"	424.98572	"C17693"	"5-epi-Valiolone 7-phosphate"	"C7H13O9P"	"272.0297"	"M+K+CF3COOH"	152.95602
"811441"	192.0634	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M"	0
"978413"	173.04501	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-H2O-H"	-19.01839
"65561"	127.034990666667	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M-3H"	-3.021828
"513871"	191.056124	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M-3H"	-3.021828
"888392"	63.0138573333333	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-3H"	-3.021828
"2957"	191.056124	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M-2H"	-2.014552
"441785"	287.087824	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M-2H"	-2.014552
"827610"	95.024424	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-2H"	-2.014552
"89789"	383.119524	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M-H"	-1.007276
"528255"	575.182924	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M-H"	-1.007276
"902776"	191.056124	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-H"	-1.007276
"51682"	400.146071	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M-2H+NH4"	16.019271
"492336"	592.209471	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M-2H+NH4"	16.019271
"868315"	208.082671	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-2H+NH4"	16.019271
"36216"	405.101466	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M-2H+Na"	20.974666
"481976"	597.164866	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M-2H+Na"	20.974666
"859777"	213.038066	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-2H+Na"	20.974666
"1624935"	213.038066	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Na-2H"	20.974666
"107670"	209.044463	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M-H+Cl"	33.962126
"546500"	305.076163	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M-H+Cl"	33.962126
"939286"	113.012763	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-H+Cl"	33.962126
"278573"	419.096202	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+Cl"	34.969402
"670632"	611.159602	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+Cl"	34.969402
"1282302"	227.032802	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Cl"	34.969402
"25955"	421.075406	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M-2H+K"	36.948606
"462234"	613.138806	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M-2H+K"	36.948606
"840036"	229.012006	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-2H+K"	36.948606
"1565713"	229.012006	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+K-2H"	36.948606
"951408"	237.061594	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-H+HCOOH"	44.998194
"370716"	429.125001	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+HCOOH-H"	44.998201
"355692"	443.140651	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+Hac-H"	59.013851
"1496509"	251.077251	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Hac-H"	59.013851
"962228"	259.043551	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-H+NaCOOH"	66.980151
"115874"	227.032802	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+2Cl"	69.938804
"554339"	323.064502	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+2Cl"	69.938804
"1025691"	131.001102	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2Cl"	69.938804
"1247456"	270.982285	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Br"	78.918885
"1312457"	273.038272	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Cl+HCOOH"	80.974872
"1328861"	295.020229	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Cl+NaCOOH"	102.956829
"914087"	305.048986	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M-H+CF3COOH"	112.985586
"1291159"	341.025664	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Cl+CF3COOH"	148.962264
"1371147"	157.050724	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H-2H2O"	-35.012676
"1388278"	175.0607	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H-H2O"	-17.0027
"286141"	385.134076	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+H"	1.007276
"679296"	577.197476	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+H"	1.007276
"1354915"	193.070676	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H"	1.007276
"129630"	193.070676	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+2H"	2.014552
"567007"	289.102376	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+2H"	2.014552
"1039818"	97.038976	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2H"	2.014552
"204919"	129.049542666667	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+3H"	3.021828
"647279"	193.070676	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+3H"	3.021828
"1164311"	65.0284093333333	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+3H"	3.021828
"427584"	402.160623	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+NH4"	18.033823
"786752"	594.224023	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+NH4"	18.033823
"1683085"	210.097223	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+NH4"	18.033823
"331117"	201.5839495	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+H+NH4"	19.041099
"725238"	297.6156495	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+H+NH4"	19.041099
"1479058"	105.5522495	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H+NH4"	19.041099
"393600"	407.116018	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+Na"	22.989218
"754478"	599.179418	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+Na"	22.989218
"1603306"	215.052618	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Na"	22.989218
"317246"	204.061647	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+H+Na"	23.996494
"712943"	300.093347	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+H+Na"	23.996494
"1466764"	108.029947	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H+Na"	23.996494
"1057823"	72.3557233333333	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2H+Na"	25.00377
"1259864"	225.096886	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+CH3OH+H"	33.033486
"381355"	423.089958	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+K"	38.963158
"739800"	615.153358	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+K"	38.963158
"1540759"	231.026558	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+K"	38.963158
"299389"	212.048617	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+H+K"	39.970434
"693272"	308.080317	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+H+K"	39.970434
"1453292"	116.016917	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H+K"	39.970434
"240075"	426.160626	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+ACN+H"	42.033826
"1218987"	234.097226	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+ACN+H"	42.033826
"1200683"	117.552251	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+ACN+2H"	43.041102
"197929"	429.09796	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+2Na-H"	44.97116
"637487"	621.16136	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+2Na-H"	44.97116
"1144275"	237.03456	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2Na-H"	44.97116
"182095"	215.052618	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+2Na"	45.978436
"613754"	311.084318	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+2Na"	45.978436
"1116405"	119.020918	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2Na"	45.978436
"1403223"	79.6830373333333	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H+2Na"	46.985712
"1435346"	239.076146	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H+HCOOH"	47.012746
"228321"	220.08564	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+3H2O+2H"	56.04448
"1510913"	253.12819	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+IsoProp+H"	61.06479
"409625"	223.039588	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+Na+K"	61.952376
"775971"	319.071288	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+Na+K"	61.952376
"1666299"	127.007888	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Na+K"	61.952376
"251970"	448.142568	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+ACN+Na"	64.015768
"1225820"	256.079168	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+ACN+Na"	64.015768
"1713857"	256.102693	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+NH4+HCOOH"	64.039293
"1185049"	87.0103513333333	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+3Na"	68.967654
"1652389"	261.058088	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Na+HCOOH"	68.994688
"165813"	461.04584	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+2K-H"	76.91904
"598203"	653.10924	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+2K-H"	76.91904
"1087698"	268.98244	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2K-H"	76.91904
"146700"	231.026558	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"2M+2K"	77.926316
"586263"	327.058258	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"3M+2K"	77.926316
"1074057"	134.994858	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2K"	77.926316
"1107272"	270.996992	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2K+H"	78.933592
"1342564"	271.084607	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+DMSO+H"	79.021207
"1008906"	275.123776	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2ACN+H"	83.060376
"1533592"	276.117408	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+IsoProp+Na+H"	84.054008
"1001134"	138.065526	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+2ACN+2H"	84.067652
"1600009"	277.032028	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+K+HCOOH"	84.968628
"1425669"	307.063538	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+H+CF3COOH"	115.000138
"1159238"	158.578801	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+3ACN+2H"	125.094202
"1710976"	324.090085	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+NH4+CF3COOH"	132.026685
"1645535"	329.04548	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+Na+CF3COOH"	136.98208
"1584465"	345.01942	"C17694"	"5-epi-Valiolone"	"C7H12O6"	"192.0634"	"M+K+CF3COOH"	152.95602
"811551"	190.0477	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M"	0
"979616"	171.02931	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-H2O-H"	-19.01839
"66033"	125.691190666667	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M-3H"	-3.021828
"513981"	189.040424	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M-3H"	-3.021828
"888502"	62.3419573333333	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-3H"	-3.021828
"4524"	189.040424	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M-2H"	-2.014552
"440232"	284.064274	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M-2H"	-2.014552
"827720"	94.016574	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-2H"	-2.014552
"83701"	379.088124	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M-H"	-1.007276
"527271"	569.135824	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M-H"	-1.007276
"899969"	189.040424	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-H"	-1.007276
"48511"	396.114671	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M-2H+NH4"	16.019271
"491717"	586.162371	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M-2H+NH4"	16.019271
"869154"	206.066971	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-2H+NH4"	16.019271
"33410"	401.070066	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M-2H+Na"	20.974666
"483179"	591.117766	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M-2H+Na"	20.974666
"859887"	211.022366	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-2H+Na"	20.974666
"1620672"	211.022366	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Na-2H"	20.974666
"107051"	207.028763	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M-H+Cl"	33.962126
"544424"	302.052613	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M-H+Cl"	33.962126
"937938"	112.004913	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-H+Cl"	33.962126
"275404"	415.064802	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+Cl"	34.969402
"667822"	605.112502	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+Cl"	34.969402
"1280225"	225.017102	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Cl"	34.969402
"22781"	417.044006	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M-2H+K"	36.948606
"462343"	607.091706	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M-2H+K"	36.948606
"839053"	226.996306	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-2H+K"	36.948606
"1562540"	226.996306	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+K-2H"	36.948606
"949330"	235.045894	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-H+HCOOH"	44.998194
"370826"	425.093601	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+HCOOH-H"	44.998201
"355802"	439.109251	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+Hac-H"	59.013851
"1495888"	249.061551	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Hac-H"	59.013851
"963797"	257.027851	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-H+NaCOOH"	66.980151
"115984"	225.017102	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+2Cl"	69.938804
"555909"	320.040952	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+2Cl"	69.938804
"1025801"	129.993252	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2Cl"	69.938804
"1249389"	268.966585	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Br"	78.918885
"1311474"	271.022572	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Cl+HCOOH"	80.974872
"1326784"	293.004529	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Cl+NaCOOH"	102.956829
"914196"	303.033286	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M-H+CF3COOH"	112.985586
"1291272"	339.009964	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Cl+CF3COOH"	148.962264
"1371621"	155.035024	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H-2H2O"	-35.012676
"1389117"	173.045	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H-H2O"	-17.0027
"287346"	381.102676	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+H"	1.007276
"680136"	571.150376	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+H"	1.007276
"1355389"	191.054976	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H"	1.007276
"127431"	191.054976	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+2H"	2.014552
"567237"	286.078826	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+2H"	2.014552
"1039928"	96.031126	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2H"	2.014552
"204378"	127.705742666667	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+3H"	3.021828
"647389"	191.054976	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+3H"	3.021828
"1166607"	64.3565093333333	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+3H"	3.021828
"427694"	398.129223	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+NH4"	18.033823
"785686"	588.176923	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+NH4"	18.033823
"1683924"	208.081523	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+NH4"	18.033823
"330619"	199.5682495	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+H+NH4"	19.041099
"724254"	294.5920995	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+H+NH4"	19.041099
"1478197"	104.5443995	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H+NH4"	19.041099
"393182"	403.084618	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+Na"	22.989218
"754387"	593.132318	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+Na"	22.989218
"1602843"	213.036918	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Na"	22.989218
"321728"	202.045947	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+H+Na"	23.996494
"715240"	297.069797	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+H+Na"	23.996494
"1467968"	107.022097	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H+Na"	23.996494
"1058297"	71.6838233333333	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2H+Na"	25.00377
"1259974"	223.081186	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+CH3OH+H"	33.033486
"384746"	419.058558	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+K"	38.963158
"741732"	609.106258	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+K"	38.963158
"1544514"	229.010858	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+K"	38.963158
"300960"	210.032917	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+H+K"	39.970434
"698483"	305.056767	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+H+K"	39.970434
"1449023"	115.009067	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H+K"	39.970434
"235926"	422.129226	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+ACN+H"	42.033826
"1211182"	232.081526	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+ACN+H"	42.033826
"1198603"	116.544401	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+ACN+2H"	43.041102
"193662"	425.06656	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+2Na-H"	44.97116
"638690"	615.11426	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+2Na-H"	44.97116
"1138915"	235.01886	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2Na-H"	44.97116
"180017"	213.036918	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+2Na"	45.978436
"613500"	308.060768	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+2Na"	45.978436
"1118704"	118.013068	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2Na"	45.978436
"1403333"	79.0111373333333	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H+2Na"	46.985712
"1434363"	237.060446	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H+HCOOH"	47.012746
"229524"	218.06994	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+3H2O+2H"	56.04448
"1513211"	251.11249	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+IsoProp+H"	61.06479
"410102"	221.023888	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+Na+K"	61.952376
"772803"	316.047738	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+Na+K"	61.952376
"1665967"	126.000038	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Na+K"	61.952376
"252368"	444.111168	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+ACN+Na"	64.015768
"1226050"	254.063468	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+ACN+Na"	64.015768
"1713602"	254.086993	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+NH4+HCOOH"	64.039293
"1184795"	86.3384513333333	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+3Na"	68.967654
"1651527"	259.042388	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Na+HCOOH"	68.994688
"160453"	457.01444	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+2K-H"	76.91904
"598797"	647.06214	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+2K-H"	76.91904
"1091088"	266.96674	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2K-H"	76.91904
"145717"	229.010858	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"2M+2K"	77.926316
"586373"	324.034708	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"3M+2K"	77.926316
"1074167"	133.987008	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2K"	77.926316
"1108474"	268.981292	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2K+H"	78.933592
"1345952"	269.068907	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+DMSO+H"	79.021207
"1007923"	273.108076	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2ACN+H"	83.060376
"1532608"	274.101708	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+IsoProp+Na+H"	84.054008
"1000151"	137.057676	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+2ACN+2H"	84.067652
"1600119"	275.016328	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+K+HCOOH"	84.968628
"1425779"	305.047838	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+H+CF3COOH"	115.000138
"1158254"	157.570951	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+3ACN+2H"	125.094202
"1711086"	322.074385	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+NH4+CF3COOH"	132.026685
"1646738"	327.02978	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+Na+CF3COOH"	136.98208
"1584575"	343.00372	"C17695"	"2-Keto-5-epi-valiolone"	"C7H10O6"	"190.0477"	"M+K+CF3COOH"	152.95602
"811661"	174.0528	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M"	0
"978633"	155.03441	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-H2O-H"	-19.01839
"63593"	115.027924	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M-3H"	-3.021828
"515185"	173.045524	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M-3H"	-3.021828
"888612"	57.010324	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-3H"	-3.021828
"4634"	173.045524	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M-2H"	-2.014552
"440424"	260.071924	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M-2H"	-2.014552
"827830"	86.019124	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-2H"	-2.014552
"81989"	347.098324	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M-H"	-1.007276
"525195"	521.151124	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M-H"	-1.007276
"897528"	173.045524	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-H"	-1.007276
"48013"	364.124871	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M-2H+NH4"	16.019271
"491463"	538.177671	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M-2H+NH4"	16.019271
"871451"	190.072071	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-2H+NH4"	16.019271
"33885"	369.080266	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M-2H+Na"	20.974666
"482196"	543.133066	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M-2H+Na"	20.974666
"856717"	195.027466	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-2H+Na"	20.974666
"1624062"	195.027466	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Na-2H"	20.974666
"105704"	191.033863	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M-H+Cl"	33.962126
"544533"	278.060263	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M-H+Cl"	33.962126
"935859"	104.007463	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-H+Cl"	33.962126
"275514"	383.075002	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+Cl"	34.969402
"667932"	557.127802	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+Cl"	34.969402
"1280335"	209.022202	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Cl"	34.969402
"22164"	385.054206	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M-2H+K"	36.948606
"461725"	559.107006	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M-2H+K"	36.948606
"842444"	211.001406	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-2H+K"	36.948606
"1563378"	211.001406	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+K-2H"	36.948606
"949076"	219.050994	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-H+HCOOH"	44.998194
"369844"	393.103801	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+HCOOH-H"	44.998201
"351902"	407.119451	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+Hac-H"	59.013851
"1495635"	233.066651	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Hac-H"	59.013851
"960987"	241.032951	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-H+NaCOOH"	66.980151
"116458"	209.022202	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+2Cl"	69.938804
"555656"	296.048602	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+2Cl"	69.938804
"1022631"	121.995802	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2Cl"	69.938804
"1244030"	252.971685	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Br"	78.918885
"1306843"	255.027672	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Cl+HCOOH"	80.974872
"1329081"	277.009629	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Cl+NaCOOH"	102.956829
"913214"	287.038386	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M-H+CF3COOH"	112.985586
"1292110"	323.015064	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Cl+CF3COOH"	148.962264
"1372825"	139.040124	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H-2H2O"	-35.012676
"1385947"	157.0501	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H-H2O"	-17.0027
"285999"	349.112876	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+H"	1.007276
"681339"	523.165676	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+H"	1.007276
"1357688"	175.060076	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H"	1.007276
"127299"	175.060076	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+2H"	2.014552
"567227"	262.086476	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+2H"	2.014552
"1047693"	88.033676	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2H"	2.014552
"207938"	117.042476	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+3H"	3.021828
"652967"	175.060076	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+3H"	3.021828
"1164531"	59.024876	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+3H"	3.021828
"428897"	366.139423	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+NH4"	18.033823
"786610"	540.192223	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+NH4"	18.033823
"1682213"	192.086623	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+NH4"	18.033823
"334497"	183.5733495	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+H+NH4"	19.041099
"726918"	270.5997495	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+H+NH4"	19.041099
"1479278"	96.5469495	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H+NH4"	19.041099
"392826"	371.094818	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+Na"	22.989218
"755309"	545.147618	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+Na"	22.989218
"1603163"	197.042018	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Na"	22.989218
"318922"	186.051047	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+H+Na"	23.996494
"713164"	273.077447	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+H+Na"	23.996494
"1466256"	99.024647	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H+Na"	23.996494
"1055127"	66.35219	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2H+Na"	25.00377
"1258991"	207.086286	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+CH3OH+H"	33.033486
"382669"	387.068758	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+K"	38.963158
"741477"	561.121558	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+K"	38.963158
"1543530"	213.015958	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+K"	38.963158
"305080"	194.038017	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+H+K"	39.970434
"696406"	281.064417	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+H+K"	39.970434
"1451319"	107.011617	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H+K"	39.970434
"237370"	390.139426	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+ACN+H"	42.033826
"1211535"	216.086626	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+ACN+H"	42.033826
"1199804"	108.546951	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+ACN+2H"	43.041102
"190489"	393.07676	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+2Na-H"	44.97116
"629319"	567.12956	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+2Na-H"	44.97116
"1133555"	219.02396	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2Na-H"	44.97116
"173011"	197.042018	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+2Na"	45.978436
"613113"	284.068418	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+2Na"	45.978436
"1117721"	110.015618	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2Na"	45.978436
"1401618"	73.679504	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H+2Na"	46.985712
"1441034"	221.065546	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H+HCOOH"	47.012746
"228542"	202.07504	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+3H2O+2H"	56.04448
"1513321"	235.11759	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+IsoProp+H"	61.06479
"411183"	205.028988	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+Na+K"	61.952376
"771816"	292.055388	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+Na+K"	61.952376
"1668151"	118.002588	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Na+K"	61.952376
"252722"	412.121368	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+ACN+Na"	64.015768
"1227742"	238.068568	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+ACN+Na"	64.015768
"1713833"	238.092093	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+NH4+HCOOH"	64.039293
"1193288"	81.006818	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+3Na"	68.967654
"1654796"	243.047488	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Na+HCOOH"	68.994688
"160927"	425.02464	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+2K-H"	76.91904
"599395"	599.07744	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+2K-H"	76.91904
"1091198"	250.97184	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2K-H"	76.91904
"146920"	213.015958	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"2M+2K"	77.926316
"589763"	300.042358	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"3M+2K"	77.926316
"1075370"	125.989558	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2K"	77.926316
"1106398"	252.986392	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2K+H"	78.933592
"1344969"	253.074007	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+DMSO+H"	79.021207
"1012407"	257.113176	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2ACN+H"	83.060376
"1533814"	258.106808	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+IsoProp+Na+H"	84.054008
"1000260"	129.060226	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+2ACN+2H"	84.067652
"1598042"	259.021428	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+K+HCOOH"	84.968628
"1425889"	289.052938	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+H+CF3COOH"	115.000138
"1158364"	149.573501	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+3ACN+2H"	125.094202
"1711196"	306.079485	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+NH4+CF3COOH"	132.026685
"1646848"	311.03488	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+Na+CF3COOH"	136.98208
"1584685"	327.00882	"C17696"	"Valienone"	"C7H10O5"	"174.0528"	"M+K+CF3COOH"	152.95602
"808491"	254.0192	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M"	0
"988586"	235.00081	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-H2O-H"	-19.01839
"69173"	168.338857333333	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M-3H"	-3.021828
"514201"	253.011924	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M-3H"	-3.021828
"888722"	83.6657906666667	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-3H"	-3.021828
"3287"	253.011924	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H"	-2.014552
"440086"	380.021524	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H"	-2.014552
"826847"	126.002324	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-2H"	-2.014552
"81371"	507.031124	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M-H"	-1.007276
"525305"	761.050324	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M-H"	-1.007276
"897395"	253.011924	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-H"	-1.007276
"47877"	524.057671	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H+NH4"	16.019271
"488892"	778.076871	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H+NH4"	16.019271
"865727"	270.038471	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-2H+NH4"	16.019271
"32902"	529.013066	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H+Na"	20.974666
"471855"	783.032266	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H+Na"	20.974666
"856826"	274.993866	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-2H+Na"	20.974666
"1624171"	274.993866	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Na-2H"	20.974666
"102899"	271.000263	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M-H+Cl"	33.962126
"542457"	398.009863	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M-H+Cl"	33.962126
"937062"	143.990663	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-H+Cl"	33.962126
"273072"	543.007802	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+Cl"	34.969402
"663667"	797.027002	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+Cl"	34.969402
"1279350"	288.988602	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl"	34.969402
"20815"	544.987006	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M-2H+K"	36.948606
"462928"	799.006206	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M-2H+K"	36.948606
"841094"	290.967806	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-2H+K"	36.948606
"1563488"	290.967806	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+K-2H"	36.948606
"949186"	299.017394	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-H+HCOOH"	44.998194
"369954"	553.036601	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+HCOOH-H"	44.998201
"353107"	567.052251	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+Hac-H"	59.013851
"1498300"	313.033051	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Hac-H"	59.013851
"964744"	320.999351	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-H+NaCOOH"	66.980151
"116935"	288.988602	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+2Cl"	69.938804
"552850"	415.998202	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+2Cl"	69.938804
"1028571"	161.979002	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2Cl"	69.938804
"1247421"	332.938085	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Br"	78.918885
"1309141"	334.994072	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl+HCOOH"	80.974872
"1326275"	356.976029	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl+NaCOOH"	102.956829
"913325"	367.004786	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M-H+CF3COOH"	112.985586
"1293316"	402.981464	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Cl+CF3COOH"	148.962264
"1368922"	219.006524	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H-2H2O"	-35.012676
"1383501"	237.0165	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H-H2O"	-17.0027
"284161"	509.045676	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+H"	1.007276
"679990"	763.064876	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+H"	1.007276
"1357798"	255.026476	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H"	1.007276
"129957"	255.026476	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+2H"	2.014552
"572439"	382.036076	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+2H"	2.014552
"1039054"	128.016876	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2H"	2.014552
"206955"	170.353409333333	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+3H"	3.021828
"648703"	255.026476	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+3H"	3.021828
"1163548"	85.6803426666667	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+3H"	3.021828
"427913"	526.072223	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+NH4"	18.033823
"786721"	780.091423	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+NH4"	18.033823
"1683052"	272.053023	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+NH4"	18.033823
"334608"	263.5397495	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+H+NH4"	19.041099
"725934"	390.5493495	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+H+NH4"	19.041099
"1478904"	136.5301495	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H+NH4"	19.041099
"393567"	531.027618	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+Na"	22.989218
"754567"	785.046818	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+Na"	22.989218
"1603273"	277.008418	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Na"	22.989218
"318668"	266.017447	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+H+Na"	23.996494
"712181"	393.027047	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+H+Na"	23.996494
"1467459"	139.007847	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H+Na"	23.996494
"1055237"	93.0076566666667	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2H+Na"	25.00377
"1259830"	287.052686	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+CH3OH+H"	33.033486
"382780"	547.001558	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+K"	38.963158
"741588"	801.020758	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+K"	38.963158
"1544734"	292.982358	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+K"	38.963158
"304459"	274.004417	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+H+K"	39.970434
"696516"	401.014017	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+H+K"	39.970434
"1455804"	146.994817	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H+K"	39.970434
"237478"	550.072226	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+ACN+H"	42.033826
"1212374"	296.053026	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+ACN+H"	42.033826
"1195904"	148.530151	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+ACN+2H"	43.041102
"188772"	553.00956	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+2Na-H"	44.97116
"629184"	807.02876	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+2Na-H"	44.97116
"1132572"	298.99036	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2Na-H"	44.97116
"173228"	277.008418	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+2Na"	45.978436
"613146"	404.018018	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+2Na"	45.978436
"1115845"	149.998818	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2Na"	45.978436
"1399175"	100.334970666667	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H+2Na"	46.985712
"1440051"	301.031946	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H+HCOOH"	47.012746
"230838"	282.04144	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+3H2O+2H"	56.04448
"1513431"	315.08399	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+IsoProp+H"	61.06479
"413117"	284.995388	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+Na+K"	61.952376
"774114"	412.004988	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+Na+K"	61.952376
"1669354"	157.985788	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Na+K"	61.952376
"251903"	572.054168	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+ACN+Na"	64.015768
"1226759"	318.034968	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+ACN+Na"	64.015768
"1712772"	318.058493	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+NH4+HCOOH"	64.039293
"1192670"	107.662284666667	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+3Na"	68.967654
"1654906"	323.013888	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Na+HCOOH"	68.994688
"159580"	584.95744	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+2K-H"	76.91904
"600235"	838.97664	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+2K-H"	76.91904
"1091308"	330.93824	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2K-H"	76.91904
"145937"	292.982358	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"2M+2K"	77.926316
"589873"	419.991958	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"3M+2K"	77.926316
"1074388"	165.972758	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2K"	77.926316
"1101767"	332.952792	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2K+H"	78.933592
"1341800"	333.040407	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+DMSO+H"	79.021207
"1011422"	337.079576	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2ACN+H"	83.060376
"1529548"	338.073208	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+IsoProp+Na+H"	84.054008
"994900"	169.043426	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+2ACN+2H"	84.067652
"1599243"	338.987828	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+K+HCOOH"	84.968628
"1422718"	369.019338	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+H+CF3COOH"	115.000138
"1158474"	189.556701	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+3ACN+2H"	125.094202
"1705838"	386.045885	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+NH4+CF3COOH"	132.026685
"1646958"	391.00128	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+Na+CF3COOH"	136.98208
"1584795"	406.97522	"C17697"	"Valienone 7-phosphate"	"C7H11O8P"	"254.0192"	"M+K+CF3COOH"	152.95602
"808601"	321.1424	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M"	0
"989186"	302.12401	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-H2O-H"	-19.01839
"70376"	213.087657333333	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M-3H"	-3.021828
"514311"	320.135124	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M-3H"	-3.021828
"888832"	106.040190666667	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-3H"	-3.021828
"3397"	320.135124	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M-2H"	-2.014552
"441862"	480.706324	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M-2H"	-2.014552
"826957"	159.563924	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-2H"	-2.014552
"81481"	641.277524	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M-H"	-1.007276
"519822"	962.419924	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M-H"	-1.007276
"897505"	320.135124	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-H"	-1.007276
"51028"	658.304071	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M-2H+NH4"	16.019271
"492774"	979.446471	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M-2H+NH4"	16.019271
"868389"	337.161671	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-2H+NH4"	16.019271
"33012"	663.259466	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M-2H+Na"	20.974666
"479135"	984.401866	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M-2H+Na"	20.974666
"853656"	342.117066	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-2H+Na"	20.974666
"1621001"	342.117066	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Na-2H"	20.974666
"101188"	338.123463	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M-H+Cl"	33.962126
"541474"	498.694663	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M-H+Cl"	33.962126
"934260"	177.552263	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-H+Cl"	33.962126
"273182"	677.254202	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+Cl"	34.969402
"667060"	998.396602	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+Cl"	34.969402
"1281648"	356.111802	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Cl"	34.969402
"22751"	679.233406	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M-2H+K"	36.948606
"463038"	1000.375806	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M-2H+K"	36.948606
"841935"	358.091006	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-2H+K"	36.948606
"1568342"	358.091006	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+K-2H"	36.948606
"954038"	366.140594	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-H+HCOOH"	44.998194
"374076"	687.283001	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+HCOOH-H"	44.998201
"353950"	701.298651	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+Hac-H"	59.013851
"1497314"	380.156251	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Hac-H"	59.013851
"964854"	388.122551	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-H+NaCOOH"	66.980151
"118139"	356.111802	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+2Cl"	69.938804
"559888"	516.683002	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+2Cl"	69.938804
"1026501"	195.540602	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2Cl"	69.938804
"1248994"	400.061285	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Br"	78.918885
"1311442"	402.117272	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Cl+HCOOH"	80.974872
"1329304"	424.099229	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Cl+NaCOOH"	102.956829
"915991"	434.127986	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M-H+CF3COOH"	112.985586
"1289903"	470.104664	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Cl+CF3COOH"	148.962264
"1371953"	286.129724	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H-2H2O"	-35.012676
"1386168"	304.1397	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H-H2O"	-17.0027
"288408"	643.292076	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+H"	1.007276
"684840"	964.434476	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+H"	1.007276
"1361191"	322.149676	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H"	1.007276
"131892"	322.149676	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+2H"	2.014552
"572549"	482.720876	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+2H"	2.014552
"1045725"	161.578476	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2H"	2.014552
"214720"	215.102209333333	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+3H"	3.021828
"648813"	322.149676	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+3H"	3.021828
"1170219"	108.054742666667	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+3H"	3.021828
"431305"	660.318623	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+NH4"	18.033823
"791206"	981.461023	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+NH4"	18.033823
"1689725"	339.176223	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+NH4"	18.033823
"334722"	330.6629495	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+H+NH4"	19.041099
"727140"	491.2341495	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+H+NH4"	19.041099
"1484241"	170.0917495	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H+NH4"	19.041099
"395263"	665.274018	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+Na"	22.989218
"757355"	986.416418	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+Na"	22.989218
"1603871"	344.131618	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Na"	22.989218
"319142"	333.140647	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+H+Na"	23.996494
"714479"	493.711847	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+H+Na"	23.996494
"1468297"	172.569447	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H+Na"	23.996494
"1056441"	115.382056666667	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2H+Na"	25.00377
"1263219"	354.175886	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+CH3OH+H"	33.033486
"386168"	681.247958	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+K"	38.963158
"747164"	1002.390358	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+K"	38.963158
"1548124"	360.105558	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+K"	38.963158
"306393"	341.127617	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+H+K"	39.970434
"702095"	501.698817	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+H+K"	39.970434
"1460291"	180.556417	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H+K"	39.970434
"239415"	684.318626	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+ACN+H"	42.033826
"1212121"	363.176226	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+ACN+H"	42.033826
"1195771"	182.091751	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+ACN+2H"	43.041102
"195084"	687.25596	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+2Na-H"	44.97116
"629783"	1008.39836	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+2Na-H"	44.97116
"1132803"	366.11356	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2Na-H"	44.97116
"179257"	344.131618	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+2Na"	45.978436
"615899"	504.702818	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+2Na"	45.978436
"1123050"	183.560418	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2Na"	45.978436
"1401839"	122.709370666667	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H+2Na"	46.985712
"1442346"	368.155146	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H+HCOOH"	47.012746
"233134"	349.16464	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+3H2O+2H"	56.04448
"1522289"	382.20719	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+IsoProp+H"	61.06479
"418694"	352.118588	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+Na+K"	61.952376
"779691"	512.689788	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+Na+K"	61.952376
"1672745"	191.547388	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Na+K"	61.952376
"253432"	706.300568	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+ACN+Na"	64.015768
"1233068"	385.158168	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+ACN+Na"	64.015768
"1714661"	385.181693	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+NH4+HCOOH"	64.039293
"1185128"	130.036684666667	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+3Na"	68.967654
"1659391"	390.137088	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Na+HCOOH"	68.994688
"160054"	719.20384	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+2K-H"	76.91904
"605449"	1040.34624	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+2K-H"	76.91904
"1091418"	398.06144	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2K-H"	76.91904
"151881"	360.105558	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"2M+2K"	77.926316
"587437"	520.676758	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"3M+2K"	77.926316
"1074499"	199.534358	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2K"	77.926316
"1104429"	400.075992	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2K+H"	78.933592
"1339719"	400.163607	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+DMSO+H"	79.021207
"1008247"	404.202776	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2ACN+H"	83.060376
"1533663"	405.196408	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+IsoProp+Na+H"	84.054008
"996100"	202.605026	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+2ACN+2H"	84.067652
"1593885"	406.111028	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+K+HCOOH"	84.968628
"1422827"	436.142538	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+H+CF3COOH"	115.000138
"1148740"	223.118301	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+3ACN+2H"	125.094202
"1702668"	453.169085	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+NH4+CF3COOH"	132.026685
"1643787"	458.12448	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+Na+CF3COOH"	136.98208
"1584905"	474.09842	"C17698"	"Salbostatin"	"C13H23NO8"	"321.1424"	"M+K+CF3COOH"	152.95602
"808711"	213.0637	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M"	0
"985524"	194.04531	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-H2O-H"	-19.01839
"69392"	141.035190666667	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M-3H"	-3.021828
"514421"	212.056424	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M-3H"	-3.021828
"890035"	70.0139573333333	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-3H"	-3.021828
"4232"	212.056424	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M-2H"	-2.014552
"443794"	318.588274	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M-2H"	-2.014552
"817583"	105.524574	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-2H"	-2.014552
"79316"	425.120124	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M-H"	-1.007276
"519205"	638.183824	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M-H"	-1.007276
"896397"	212.056424	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-H"	-1.007276
"49309"	442.146671	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M-2H+NH4"	16.019271
"488749"	655.210371	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M-2H+NH4"	16.019271
"867406"	229.082971	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-2H+NH4"	16.019271
"34215"	447.102066	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M-2H+Na"	20.974666
"475965"	660.165766	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M-2H+Na"	20.974666
"851578"	234.038366	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-2H+Na"	20.974666
"1620017"	234.038366	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Na-2H"	20.974666
"107857"	230.044763	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M-H+Cl"	33.962126
"545956"	336.576613	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M-H+Cl"	33.962126
"938377"	123.512913	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-H+Cl"	33.962126
"277300"	461.096802	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+Cl"	34.969402
"668263"	674.160502	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+Cl"	34.969402
"1280665"	248.033102	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Cl"	34.969402
"28327"	463.076006	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M-2H+K"	36.948606
"466063"	676.139706	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M-2H+K"	36.948606
"843867"	250.012306	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-2H+K"	36.948606
"1567722"	250.012306	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+K-2H"	36.948606
"953051"	258.061894	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-H+HCOOH"	44.998194
"373455"	471.125601	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+HCOOH-H"	44.998201
"356245"	485.141251	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+Hac-H"	59.013851
"1499246"	272.077551	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Hac-H"	59.013851
"963142"	280.043851	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-H+NaCOOH"	66.980151
"120800"	248.033102	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+2Cl"	69.938804
"555620"	354.564952	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+2Cl"	69.938804
"1023692"	141.501252	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2Cl"	69.938804
"1243636"	291.982585	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Br"	78.918885
"1311918"	294.038572	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Cl+HCOOH"	80.974872
"1325040"	316.020529	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Cl+NaCOOH"	102.956829
"911408"	326.049286	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M-H+CF3COOH"	112.985586
"1290986"	362.025964	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Cl+CF3COOH"	148.962264
"1369145"	178.051024	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H-2H2O"	-35.012676
"1385181"	196.061	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H-H2O"	-17.0027
"288154"	427.134676	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+H"	1.007276
"683856"	640.198376	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+H"	1.007276
"1364580"	214.070976	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H"	1.007276
"134190"	214.070976	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+2H"	2.014552
"574844"	320.602826	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+2H"	2.014552
"1045834"	107.539126	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2H"	2.014552
"215923"	143.049742666667	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+3H"	3.021828
"651110"	214.070976	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+3H"	3.021828
"1171423"	72.0285093333333	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+3H"	3.021828
"433602"	444.161223	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+NH4"	18.033823
"791316"	657.224923	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+NH4"	18.033823
"1688742"	231.097523	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+NH4"	18.033823
"334832"	222.5842495	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+H+NH4"	19.041099
"727250"	329.1160995	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+H+NH4"	19.041099
"1486537"	116.0523995	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H+NH4"	19.041099
"397560"	449.116618	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+Na"	22.989218
"757465"	662.180318	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+Na"	22.989218
"1605562"	236.052918	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Na"	22.989218
"321074"	225.061947	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+H+Na"	23.996494
"713497"	331.593797	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+H+Na"	23.996494
"1468407"	118.530097	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H+Na"	23.996494
"1056552"	79.3558233333333	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2H+Na"	25.00377
"1264423"	246.097186	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+CH3OH+H"	33.033486
"387372"	465.090558	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+K"	38.963158
"743994"	678.154258	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+K"	38.963158
"1549327"	252.026858	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+K"	38.963158
"308691"	233.048917	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+H+K"	39.970434
"704029"	339.580767	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+H+K"	39.970434
"1459673"	126.517067	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H+K"	39.970434
"237700"	468.161226	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+ACN+H"	42.033826
"1211504"	255.097526	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+ACN+H"	42.033826
"1195760"	128.052401	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+ACN+2H"	43.041102
"196288"	471.09856	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+2Na-H"	44.97116
"630380"	684.16226	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+2Na-H"	44.97116
"1132913"	258.03486	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2Na-H"	44.97116
"178634"	236.052918	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+2Na"	45.978436
"613455"	342.584768	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+2Na"	45.978436
"1120973"	129.521068	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2Na"	45.978436
"1402313"	86.6831373333333	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H+2Na"	46.985712
"1443187"	260.076446	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H+HCOOH"	47.012746
"232152"	241.08594	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+3H2O+2H"	56.04448
"1520213"	274.12849	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+IsoProp+H"	61.06479
"415524"	244.039888	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+Na+K"	61.952376
"781988"	350.571738	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+Na+K"	61.952376
"1678318"	137.508038	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Na+K"	61.952376
"256094"	490.143168	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+ACN+Na"	64.015768
"1233178"	277.079468	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+ACN+Na"	64.015768
"1714406"	277.102993	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+NH4+HCOOH"	64.039293
"1181585"	94.0104513333333	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+3Na"	68.967654
"1659502"	282.058388	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Na+HCOOH"	68.994688
"160892"	503.04644	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+2K-H"	76.91904
"603737"	716.11014	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+2K-H"	76.91904
"1090435"	289.98274	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2K-H"	76.91904
"147250"	252.026858	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"2M+2K"	77.926316
"589003"	358.558708	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"3M+2K"	77.926316
"1075703"	145.495008	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2K"	77.926316
"1104540"	291.997292	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2K+H"	78.933592
"1343111"	292.084907	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+DMSO+H"	79.021207
"1007266"	296.124076	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2ACN+H"	83.060376
"1533044"	297.117708	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+IsoProp+Na+H"	84.054008
"996210"	148.565676	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+2ACN+2H"	84.067652
"1591809"	298.032328	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+K+HCOOH"	84.968628
"1421844"	328.063838	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+H+CF3COOH"	115.000138
"1148486"	169.078951	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+3ACN+2H"	125.094202
"1699498"	345.090385	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+NH4+CF3COOH"	132.026685
"1643897"	350.04578	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+Na+CF3COOH"	136.98208
"1585015"	366.01972	"C17699"	"Cetoniacytone A"	"C9H11NO5"	"213.0637"	"M+K+CF3COOH"	152.95602
"808821"	335.158	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M"	0
"985634"	316.13961	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-H2O-H"	-19.01839
"68409"	222.431390666667	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M-3H"	-3.021828
"514531"	334.150724	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M-3H"	-3.021828
"889052"	110.712057333333	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-3H"	-3.021828
"1792"	334.150724	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M-2H"	-2.014552
"441353"	501.729724	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M-2H"	-2.014552
"817814"	166.571724	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-2H"	-2.014552
"79386"	669.308724	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M-H"	-1.007276
"520400"	1004.466724	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M-H"	-1.007276
"898322"	334.150724	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-H"	-1.007276
"49054"	686.335271	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M-2H+NH4"	16.019271
"488979"	1021.493271	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M-2H+NH4"	16.019271
"869703"	351.177271	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-2H+NH4"	16.019271
"34325"	691.290666	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M-2H+Na"	20.974666
"472792"	1026.448666	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M-2H+Na"	20.974666
"850594"	356.132666	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-2H+Na"	20.974666
"1620127"	356.132666	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Na-2H"	20.974666
"108939"	352.139063	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M-H+Cl"	33.962126
"544973"	519.718063	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M-H+Cl"	33.962126
"938487"	184.560063	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-H+Cl"	33.962126
"279229"	705.285402	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+Cl"	34.969402
"668373"	1040.443402	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+Cl"	34.969402
"1279681"	370.127402	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Cl"	34.969402
"21511"	707.264606	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M-2H+K"	36.948606
"468360"	1042.422606	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M-2H+K"	36.948606
"845799"	372.106606	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-2H+K"	36.948606
"1566373"	372.106606	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+K-2H"	36.948606
"956443"	380.156194	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-H+HCOOH"	44.998194
"375751"	715.314201	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+HCOOH-H"	44.998201
"355261"	729.329851	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+Hac-H"	59.013851
"1497534"	394.171851	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Hac-H"	59.013851
"962159"	402.138151	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-H+NaCOOH"	66.980151
"118723"	370.127402	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+2Cl"	69.938804
"555730"	537.706402	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+2Cl"	69.938804
"1023802"	202.548402	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2Cl"	69.938804
"1247391"	414.076885	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Br"	78.918885
"1305949"	416.132872	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Cl+HCOOH"	80.974872
"1321258"	438.114829	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Cl+NaCOOH"	102.956829
"911544"	448.143586	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M-H+CF3COOH"	112.985586
"1290732"	484.120264	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Cl+CF3COOH"	148.962264
"1368526"	300.145324	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H-2H2O"	-35.012676
"1383099"	318.1553	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H-H2O"	-17.0027
"284984"	671.323276	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+H"	1.007276
"679593"	1006.481276	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+H"	1.007276
"1357035"	336.165276	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H"	1.007276
"134300"	336.165276	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+2H"	2.014552
"572768"	503.744276	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+2H"	2.014552
"1045944"	168.586276	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2H"	2.014552
"216033"	224.445942666667	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+3H"	3.021828
"651220"	336.165276	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+3H"	3.021828
"1173720"	112.726609333333	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+3H"	3.021828
"433712"	688.349823	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+NH4"	18.033823
"791426"	1023.507823	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+NH4"	18.033823
"1688852"	353.191823	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+NH4"	18.033823
"338222"	344.6785495	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+H+NH4"	19.041099
"726267"	512.2575495	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+H+NH4"	19.041099
"1484460"	177.0995495	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H+NH4"	19.041099
"398764"	693.305218	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+Na"	22.989218
"756846"	1028.463218	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+Na"	22.989218
"1604578"	358.147218	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Na"	22.989218
"320091"	347.156247	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+H+Na"	23.996494
"711054"	514.735247	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+H+Na"	23.996494
"1468517"	179.577247	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H+Na"	23.996494
"1055931"	120.053923333333	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2H+Na"	25.00377
"1261619"	368.191486	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+CH3OH+H"	33.033486
"386389"	709.279158	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+K"	38.963158
"748478"	1044.437158	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+K"	38.963158
"1548343"	374.121158	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+K"	38.963158
"308800"	355.143217	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+H+K"	39.970434
"704503"	522.722217	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+H+K"	39.970434
"1459783"	187.564217	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H+K"	39.970434
"239269"	712.349826	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+ACN+H"	42.033826
"1211614"	377.191826	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+ACN+H"	42.033826
"1195991"	189.099551	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+ACN+2H"	43.041102
"193117"	715.28716	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+2Na-H"	44.97116
"631584"	1050.44516	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+2Na-H"	44.97116
"1133265"	380.12916	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2Na-H"	44.97116
"176557"	358.147218	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+2Na"	45.978436
"614294"	525.726218	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+2Na"	45.978436
"1118896"	190.568218	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2Na"	45.978436
"1402423"	127.381237333333	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H+2Na"	46.985712
"1442569"	382.170746	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H+HCOOH"	47.012746
"233355"	363.18024	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+3H2O+2H"	56.04448
"1514855"	396.22279	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+IsoProp+H"	61.06479
"415634"	366.134188	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+Na+K"	61.952376
"782098"	533.713188	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+Na+K"	61.952376
"1678428"	198.555188	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Na+K"	61.952376
"257292"	734.331768	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+ACN+Na"	64.015768
"1226599"	399.173768	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+ACN+Na"	64.015768
"1714151"	399.197293	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+NH4+HCOOH"	64.039293
"1179867"	134.708551333333	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+3Na"	68.967654
"1650615"	404.152688	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Na+HCOOH"	68.994688
"161730"	747.23504	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+2K-H"	76.91904
"603847"	1082.39304	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+2K-H"	76.91904
"1091638"	412.07704	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2K-H"	76.91904
"147360"	374.121158	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"2M+2K"	77.926316
"589113"	541.700158	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"3M+2K"	77.926316
"1074720"	206.542158	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2K"	77.926316
"1105743"	414.091592	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2K+H"	78.933592
"1341033"	414.179207	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+DMSO+H"	79.021207
"1009561"	418.218376	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2ACN+H"	83.060376
"1530967"	419.212008	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+IsoProp+Na+H"	84.054008
"996320"	209.612826	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+2ACN+2H"	84.067652
"1593012"	420.126628	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+K+HCOOH"	84.968628
"1419767"	450.158138	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+H+CF3COOH"	115.000138
"1148231"	230.126101	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+3ACN+2H"	125.094202
"1699972"	467.184685	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+NH4+CF3COOH"	132.026685
"1644007"	472.14008	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+Na+CF3COOH"	136.98208
"1585125"	488.11402	"C17700"	"Validoxylamine A"	"C14H25NO8"	"335.158"	"M+K+CF3COOH"	152.95602
"808931"	455.2115	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M"	0
"985744"	436.19311	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-H2O-H"	-19.01839
"68519"	302.467057333333	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M-3H"	-3.021828
"512454"	454.204224	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M-3H"	-3.021828
"890255"	150.729890666667	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-3H"	-3.021828
"1174"	454.204224	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M-2H"	-2.014552
"440735"	681.809974	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M-2H"	-2.014552
"817681"	226.598474	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-2H"	-2.014552
"80712"	909.415724	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M-H"	-1.007276
"520269"	1364.627224	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M-H"	-1.007276
"899164"	454.204224	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-H"	-1.007276
"48437"	926.442271	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M-2H+NH4"	16.019271
"487797"	1381.653771	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M-2H+NH4"	16.019271
"867626"	471.230771	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-2H+NH4"	16.019271
"31570"	931.397666	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M-2H+Na"	20.974666
"471436"	1386.609166	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M-2H+Na"	20.974666
"853984"	476.186166	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-2H+Na"	20.974666
"1619143"	476.186166	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Na-2H"	20.974666
"105524"	472.192563	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M-H+Cl"	33.962126
"543988"	699.798313	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M-H+Cl"	33.962126
"937139"	244.586813	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-H+Cl"	33.962126
"274965"	945.392402	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+Cl"	34.969402
"668119"	1400.603902	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+Cl"	34.969402
"1280887"	490.180902	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Cl"	34.969402
"28547"	947.371606	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M-2H+K"	36.948606
"463734"	1402.583106	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M-2H+K"	36.948606
"844087"	492.160106	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-2H+K"	36.948606
"1570292"	492.160106	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+K-2H"	36.948606
"956189"	500.209694	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-H+HCOOH"	44.998194
"374403"	955.421201	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+HCOOH-H"	44.998201
"355372"	969.436851	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+Hac-H"	59.013851
"1499832"	514.225351	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Hac-H"	59.013851
"962269"	522.191651	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-H+NaCOOH"	66.980151
"119561"	490.180902	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+2Cl"	69.938804
"560215"	717.786652	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+2Cl"	69.938804
"1023549"	262.575152	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2Cl"	69.938804
"1247501"	534.130385	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Br"	78.918885
"1308858"	536.186372	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Cl+HCOOH"	80.974872
"1321980"	558.168329	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Cl+NaCOOH"	102.956829
"912184"	568.197086	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M-H+CF3COOH"	112.985586
"1289018"	604.173764	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Cl+CF3COOH"	148.962264
"1370460"	420.198824	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H-2H2O"	-35.012676
"1383943"	438.2088	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H-H2O"	-17.0027
"287280"	911.430276	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+H"	1.007276
"679703"	1366.641776	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+H"	1.007276
"1360426"	456.218776	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H"	1.007276
"134410"	456.218776	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+2H"	2.014552
"570692"	683.824526	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+2H"	2.014552
"1046055"	228.613026	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2H"	2.014552
"216143"	304.481609333333	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+3H"	3.021828
"649144"	456.218776	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+3H"	3.021828
"1169456"	152.744442666667	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+3H"	3.021828
"433823"	928.456823	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+NH4"	18.033823
"799191"	1383.668323	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+NH4"	18.033823
"1692242"	473.245323	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+NH4"	18.033823
"341978"	464.7320495	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+H+NH4"	19.041099
"728565"	692.3377995	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+H+NH4"	19.041099
"1487850"	237.1262995	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H+NH4"	19.041099
"399968"	933.412218	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+Na"	22.989218
"757685"	1388.623718	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+Na"	22.989218
"1604688"	478.200718	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Na"	22.989218
"319109"	467.209747	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+H+Na"	23.996494
"713715"	694.815497	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+H+Na"	23.996494
"1467533"	239.603997	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H+Na"	23.996494
"1058592"	160.071756666667	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2H+Na"	25.00377
"1262458"	488.244986	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+CH3OH+H"	33.033486
"388685"	949.386158	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+K"	38.963158
"749682"	1404.597658	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+K"	38.963158
"1550640"	494.174658	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+K"	38.963158
"307817"	475.196717	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+H+K"	39.970434
"702427"	702.802467	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+H+K"	39.970434
"1459164"	247.590967	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H+K"	39.970434
"238650"	952.456826	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+ACN+H"	42.033826
"1213185"	497.245326	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+ACN+H"	42.033826
"1195047"	249.126301	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+ACN+2H"	43.041102
"192499"	955.39416	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+2Na-H"	44.97116
"632787"	1410.60566	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+2Na-H"	44.97116
"1133253"	500.18266	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2Na-H"	44.97116
"175574"	478.200718	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+2Na"	45.978436
"615135"	705.806468	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+2Na"	45.978436
"1118642"	250.594968	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2Na"	45.978436
"1402169"	167.399070666667	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H+2Na"	46.985712
"1444259"	502.224246	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H+HCOOH"	47.012746
"231278"	483.23374	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+3H2O+2H"	56.04448
"1512778"	516.27629	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+IsoProp+H"	61.06479
"414650"	486.187688	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+Na+K"	61.952376
"781117"	713.793438	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+Na+K"	61.952376
"1678538"	258.581938	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Na+K"	61.952376
"262871"	974.438768	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+ACN+Na"	64.015768
"1226469"	519.227268	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+ACN+Na"	64.015768
"1713775"	519.250793	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+NH4+HCOOH"	64.039293
"1179493"	174.726384666667	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+3Na"	68.967654
"1650355"	524.206188	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Na+HCOOH"	68.994688
"161840"	987.34204	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+2K-H"	76.91904
"606146"	1442.55354	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+2K-H"	76.91904
"1091750"	532.13054	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2K-H"	76.91904
"149657"	494.174658	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"2M+2K"	77.926316
"589223"	721.780408	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"3M+2K"	77.926316
"1075924"	266.568908	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2K"	77.926316
"1106947"	534.145092	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2K+H"	78.933592
"1343331"	534.232707	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+DMSO+H"	79.021207
"1011859"	538.271876	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2ACN+H"	83.060376
"1531077"	539.265508	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+IsoProp+Na+H"	84.054008
"994245"	269.639576	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+2ACN+2H"	84.067652
"1595309"	540.180128	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+K+HCOOH"	84.968628
"1422066"	570.211638	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+H+CF3COOH"	115.000138
"1155634"	290.152851	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+3ACN+2H"	125.094202
"1702998"	587.238185	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+NH4+CF3COOH"	132.026685
"1647398"	592.19358	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+Na+CF3COOH"	136.98208
"1585235"	608.16752	"C17701"	"Gentamicin A2"	"C17H33N3O11"	"455.2115"	"M+K+CF3COOH"	152.95602
"809041"	482.2588	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M"	0
"985854"	463.24041	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-H2O-H"	-19.01839
"65349"	320.498590666667	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M-3H"	-3.021828
"512564"	481.251524	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M-3H"	-3.021828
"890365"	159.745657333333	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-3H"	-3.021828
"2377"	481.251524	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M-2H"	-2.014552
"441209"	722.380924	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M-2H"	-2.014552
"818643"	240.122124	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-2H"	-2.014552
"79240"	963.510324	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M-H"	-1.007276
"521473"	1445.769124	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M-H"	-1.007276
"901463"	481.251524	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-H"	-1.007276
"54745"	980.536871	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M-2H+NH4"	16.019271
"492117"	1462.795671	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M-2H+NH4"	16.019271
"869921"	498.278071	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-2H+NH4"	16.019271
"32110"	985.492266	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M-2H+Na"	20.974666
"471672"	1467.751066	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M-2H+Na"	20.974666
"849719"	503.233466	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-2H+Na"	20.974666
"1619616"	503.233466	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Na-2H"	20.974666
"106362"	499.239863	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M-H+Cl"	33.962126
"540818"	740.369263	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M-H+Cl"	33.962126
"936156"	258.110463	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-H+Cl"	33.962126
"275075"	999.487002	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+Cl"	34.969402
"665313"	1481.745802	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+Cl"	34.969402
"1278810"	517.228202	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Cl"	34.969402
"24283"	1001.466206	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M-2H+K"	36.948606
"464936"	1483.725006	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M-2H+K"	36.948606
"843103"	519.207406	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-2H+K"	36.948606
"1569873"	519.207406	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+K-2H"	36.948606
"957391"	527.256994	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-H+HCOOH"	44.998194
"375608"	1009.515801	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+HCOOH-H"	44.998201
"356573"	1023.531451	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+Hac-H"	59.013851
"1495568"	541.272651	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Hac-H"	59.013851
"964201"	549.238951	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-H+NaCOOH"	66.980151
"117484"	517.228202	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+2Cl"	69.938804
"560324"	758.357602	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+2Cl"	69.938804
"1021953"	276.098802	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2Cl"	69.938804
"1243967"	561.177685	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Br"	78.918885
"1311153"	563.233672	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Cl+HCOOH"	80.974872
"1329741"	585.215629	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Cl+NaCOOH"	102.956829
"920799"	595.244386	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M-H+CF3COOH"	112.985586
"1290217"	631.221064	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Cl+CF3COOH"	148.962264
"1368744"	447.246124	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H-2H2O"	-35.012676
"1383324"	465.2561	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H-H2O"	-17.0027
"284104"	965.524876	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+H"	1.007276
"675838"	1447.783676	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+H"	1.007276
"1359442"	483.266076	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H"	1.007276
"135613"	483.266076	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+2H"	2.014552
"569709"	724.395476	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+2H"	2.014552
"1049446"	242.136676	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2H"	2.014552
"216253"	322.513142666667	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+3H"	3.021828
"654721"	483.266076	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+3H"	3.021828
"1169566"	161.760209333333	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+3H"	3.021828
"436850"	982.551423	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+NH4"	18.033823
"800399"	1464.810223	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+NH4"	18.033823
"1692352"	500.292623	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+NH4"	18.033823
"342088"	491.7793495	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+H+NH4"	19.041099
"730862"	732.9087495	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+H+NH4"	19.041099
"1489054"	250.6499495	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H+NH4"	19.041099
"396798"	987.506818	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+Na"	22.989218
"758888"	1469.765618	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+Na"	22.989218
"1604798"	505.248018	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Na"	22.989218
"323590"	494.257047	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+H+Na"	23.996494
"711637"	735.386447	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+H+Na"	23.996494
"1465457"	253.127647	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H+Na"	23.996494
"1057242"	169.087523333333	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2H+Na"	25.00377
"1264753"	515.292286	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+CH3OH+H"	33.033486
"388431"	1003.480758	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+K"	38.963158
"749791"	1485.739558	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+K"	38.963158
"1553665"	521.221958	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+K"	38.963158
"312300"	502.244017	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+H+K"	39.970434
"702533"	743.373417	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+H+K"	39.970434
"1457447"	261.114617	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H+K"	39.970434
"241677"	1006.551426	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+ACN+H"	42.033826
"1213660"	524.292626	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+ACN+H"	42.033826
"1201558"	262.649951	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+ACN+2H"	43.041102
"193338"	1009.48876	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+2Na-H"	44.97116
"633263"	1491.74756	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+2Na-H"	44.97116
"1139684"	527.22996	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2Na-H"	44.97116
"176778"	505.248018	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+2Na"	45.978436
"617432"	746.377418	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+2Na"	45.978436
"1121303"	264.118618	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2Na"	45.978436
"1402646"	176.414837333333	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H+2Na"	46.985712
"1441695"	529.271546	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H+HCOOH"	47.012746
"231388"	510.28104	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+3H2O+2H"	56.04448
"1513982"	543.32359	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+IsoProp+H"	61.06479
"412573"	513.234988	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+Na+K"	61.952376
"781227"	754.364388	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+Na+K"	61.952376
"1675369"	272.105588	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Na+K"	61.952376
"260794"	1028.533368	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+ACN+Na"	64.015768
"1234595"	546.274568	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+ACN+Na"	64.015768
"1713276"	546.298093	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+NH4+HCOOH"	64.039293
"1179480"	183.742151333333	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+3Na"	68.967654
"1652167"	551.253488	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Na+HCOOH"	68.994688
"157282"	1041.43664	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+2K-H"	76.91904
"604069"	1523.69544	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+2K-H"	76.91904
"1088579"	559.17784	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2K-H"	76.91904
"144662"	521.221958	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"2M+2K"	77.926316
"589333"	762.351358	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"3M+2K"	77.926316
"1076032"	280.092558	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2K"	77.926316
"1103777"	561.192392	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2K+H"	78.933592
"1342347"	561.280007	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+DMSO+H"	79.021207
"1006135"	565.319176	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2ACN+H"	83.060376
"1532281"	566.312808	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+IsoProp+Na+H"	84.054008
"993262"	283.163226	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+2ACN+2H"	84.067652
"1591047"	567.227428	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+K+HCOOH"	84.968628
"1425456"	597.258938	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+H+CF3COOH"	115.000138
"1160119"	303.676501	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+3ACN+2H"	125.094202
"1711614"	614.285485	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+NH4+CF3COOH"	132.026685
"1647508"	619.24088	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+Na+CF3COOH"	136.98208
"1585345"	635.21482	"C17702"	"Gentamicin X2"	"C19H38N4O10"	"482.2588"	"M+K+CF3COOH"	152.95602
"809151"	496.2744	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M"	0
"988760"	477.25601	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-H2O-H"	-19.01839
"66552"	329.842324	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M-3H"	-3.021828
"511581"	495.267124	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M-3H"	-3.021828
"885008"	164.417524	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-3H"	-3.021828
"1026"	495.267124	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M-2H"	-2.014552
"444235"	743.404324	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M-2H"	-2.014552
"819848"	247.129924	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-2H"	-2.014552
"80205"	991.541524	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M-H"	-1.007276
"518907"	1487.815924	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M-H"	-1.007276
"896106"	495.267124	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-H"	-1.007276
"47931"	1008.568071	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M-2H+NH4"	16.019271
"488463"	1504.842471	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M-2H+NH4"	16.019271
"868937"	512.293671	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-2H+NH4"	16.019271
"34041"	1013.523466	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M-2H+Na"	20.974666
"472144"	1509.797866	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M-2H+Na"	20.974666
"852013"	517.249066	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-2H+Na"	20.974666
"1619483"	517.249066	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Na-2H"	20.974666
"100276"	513.255463	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M-H+Cl"	33.962126
"534643"	761.392663	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M-H+Cl"	33.962126
"931163"	265.118263	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-H+Cl"	33.962126
"267894"	1027.518202	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+Cl"	34.969402
"663964"	1523.792602	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+Cl"	34.969402
"1283295"	531.243802	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Cl"	34.969402
"22206"	1029.497406	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M-2H+K"	36.948606
"467234"	1525.771806	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M-2H+K"	36.948606
"847224"	533.223006	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-2H+K"	36.948606
"1571069"	533.223006	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+K-2H"	36.948606
"957266"	541.272594	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-H+HCOOH"	44.998194
"376085"	1037.547001	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+HCOOH-H"	44.998201
"357050"	1051.562651	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+Hac-H"	59.013851
"1495678"	555.288251	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Hac-H"	59.013851
"966498"	563.254551	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-H+NaCOOH"	66.980151
"118325"	531.243802	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+2Cl"	69.938804
"561165"	779.381002	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+2Cl"	69.938804
"1023040"	283.106602	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2Cl"	69.938804
"1242981"	575.193285	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Br"	78.918885
"1306159"	577.249272	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Cl+HCOOH"	80.974872
"1328758"	599.231229	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Cl+NaCOOH"	102.956829
"917629"	609.259986	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M-H+CF3COOH"	112.985586
"1289963"	645.236664	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Cl+CF3COOH"	148.962264
"1369583"	461.261724	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H-2H2O"	-35.012676
"1384894"	479.2717	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H-H2O"	-17.0027
"287498"	993.556076	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+H"	1.007276
"683203"	1489.830476	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+H"	1.007276
"1358461"	497.281676	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H"	1.007276
"135723"	497.281676	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+2H"	2.014552
"572007"	745.418876	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+2H"	2.014552
"1048462"	249.144476	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2H"	2.014552
"218796"	331.856876	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+3H"	3.021828
"654832"	497.281676	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+3H"	3.021828
"1177820"	166.432076	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+3H"	3.021828
"439802"	1010.582623	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+NH4"	18.033823
"800751"	1506.857023	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+NH4"	18.033823
"1695378"	514.308223	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+NH4"	18.033823
"343292"	505.7949495	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+H+NH4"	19.041099
"730973"	753.9321495	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+H+NH4"	19.041099
"1485885"	257.6577495	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H+NH4"	19.041099
"400191"	1015.538018	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+Na"	22.989218
"763376"	1511.812418	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+Na"	22.989218
"1608556"	519.263618	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Na"	22.989218
"317141"	508.272647	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+H+Na"	23.996494
"708099"	756.409847	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+H+Na"	23.996494
"1463380"	260.135447	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H+Na"	23.996494
"1054437"	173.75939	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2H+Na"	25.00377
"1260489"	529.307886	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+CH3OH+H"	33.033486
"379063"	1031.511958	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+K"	38.963158
"744433"	1527.786358	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+K"	38.963158
"1543204"	535.237558	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+K"	38.963158
"306941"	516.259617	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+H+K"	39.970434
"694989"	764.396817	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+H+K"	39.970434
"1450995"	268.122417	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H+K"	39.970434
"237046"	1034.582626	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+ACN+H"	42.033826
"1211943"	538.308226	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+ACN+H"	42.033826
"1198749"	269.657751	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+ACN+2H"	43.041102
"192352"	1037.51996	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+2Na-H"	44.97116
"634096"	1533.79436	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+2Na-H"	44.97116
"1138700"	541.24556	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2Na-H"	44.97116
"175427"	519.263618	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+2Na"	45.978436
"614988"	767.400818	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+2Na"	45.978436
"1119590"	271.126418	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2Na"	45.978436
"1405310"	181.086704	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H+2Na"	46.985712
"1431958"	543.287146	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H+HCOOH"	47.012746
"224936"	524.29664	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+3H2O+2H"	56.04448
"1514090"	557.33919	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+IsoProp+H"	61.06479
"409768"	527.250588	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+Na+K"	61.952376
"782430"	775.387788	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+Na+K"	61.952376
"1669282"	279.113388	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Na+K"	61.952376
"258717"	1056.564568	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+ACN+Na"	64.015768
"1228144"	560.290168	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+ACN+Na"	64.015768
"1713020"	560.313693	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+NH4+HCOOH"	64.039293
"1179226"	188.414018	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+3Na"	68.967654
"1650210"	565.269088	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Na+HCOOH"	68.994688
"157437"	1069.46784	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+2K-H"	76.91904
"597969"	1565.74224	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+2K-H"	76.91904
"1084668"	573.19344	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2K-H"	76.91904
"142333"	535.237558	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"2M+2K"	77.926316
"589443"	783.374758	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"3M+2K"	77.926316
"1076142"	287.100358	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2K"	77.926316
"1114583"	575.207992	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2K+H"	78.933592
"1350359"	575.295607	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+DMSO+H"	79.021207
"1018644"	579.334776	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2ACN+H"	83.060376
"1536768"	580.328408	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+IsoProp+Na+H"	84.054008
"998841"	290.171026	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+2ACN+2H"	84.067652
"1596625"	581.243028	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+K+HCOOH"	84.968628
"1429577"	611.274538	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+H+CF3COOH"	115.000138
"1162417"	310.684301	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+3ACN+2H"	125.094202
"1709780"	628.301085	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+NH4+CF3COOH"	132.026685
"1649441"	633.25648	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+Na+CF3COOH"	136.98208
"1585455"	649.23042	"C17703"	"Antibiotic G-418;G418;Geneticin"	"C20H40N4O10"	"496.2744"	"M+K+CF3COOH"	152.95602
"812542"	481.2748	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M"	0
"979513"	462.25641	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-H2O-H"	-19.01839
"66662"	319.842590666667	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M-3H"	-3.021828
"512786"	480.267524	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M-3H"	-3.021828
"888400"	159.417657333333	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-3H"	-3.021828
"5879"	480.267524	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M-2H"	-2.014552
"441426"	720.904924	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M-2H"	-2.014552
"819958"	239.630124	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-2H"	-2.014552
"81042"	961.542324	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M-H"	-1.007276
"520601"	1442.817124	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M-H"	-1.007276
"896337"	480.267524	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-H"	-1.007276
"47794"	978.568871	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M-2H+NH4"	16.019271
"492340"	1459.843671	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M-2H+NH4"	16.019271
"865645"	497.294071	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-2H+NH4"	16.019271
"45695"	983.524266	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M-2H+Na"	20.974666
"473956"	1464.799066	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M-2H+Na"	20.974666
"849938"	502.249466	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-2H+Na"	20.974666
"1619104"	502.249466	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Na-2H"	20.974666
"101478"	498.255863	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M-H+Cl"	33.962126
"536056"	738.893263	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M-H+Cl"	33.962126
"927744"	257.618463	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-H+Cl"	33.962126
"268242"	997.519002	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+Cl"	34.969402
"660662"	1478.793802	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+Cl"	34.969402
"1286321"	516.244202	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Cl"	34.969402
"23773"	999.498206	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M-2H+K"	36.948606
"470625"	1480.773006	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M-2H+K"	36.948606
"844781"	518.223406	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-2H+K"	36.948606
"1570951"	518.223406	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+K-2H"	36.948606
"956527"	526.272994	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-H+HCOOH"	44.998194
"376560"	1007.547801	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+HCOOH-H"	44.998201
"357160"	1021.563451	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+Hac-H"	59.013851
"1501255"	540.288651	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Hac-H"	59.013851
"965516"	548.254951	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-H+NaCOOH"	66.980151
"120986"	516.244202	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+2Cl"	69.938804
"562005"	756.881602	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+2Cl"	69.938804
"1022905"	275.606802	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2Cl"	69.938804
"1241914"	560.193685	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Br"	78.918885
"1306635"	562.249672	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Cl+HCOOH"	80.974872
"1333243"	584.231629	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Cl+NaCOOH"	102.956829
"914822"	594.260386	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M-H+CF3COOH"	112.985586
"1292259"	630.237064	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Cl+CF3COOH"	148.962264
"1367870"	446.262124	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H-2H2O"	-35.012676
"1383663"	464.2721	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H-H2O"	-17.0027
"286149"	963.556876	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+H"	1.007276
"681124"	1444.831676	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+H"	1.007276
"1359661"	482.282076	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H"	1.007276
"136927"	482.282076	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+2H"	2.014552
"571020"	722.919476	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+2H"	2.014552
"1048572"	241.644676	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2H"	2.014552
"215379"	321.857142666667	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+3H"	3.021828
"650567"	482.282076	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+3H"	3.021828
"1167597"	161.432209333333	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+3H"	3.021828
"429777"	980.583423	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+NH4"	18.033823
"796970"	1461.858223	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+NH4"	18.033823
"1690381"	499.308623	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+NH4"	18.033823
"340846"	490.7953495	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+H+NH4"	19.041099
"733266"	731.4327495	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+H+NH4"	19.041099
"1487086"	250.1579495	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H+NH4"	19.041099
"395929"	985.538818	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+Na"	22.989218
"758015"	1466.813618	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+Na"	22.989218
"1608300"	504.264018	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Na"	22.989218
"319436"	493.273047	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+H+Na"	23.996494
"710400"	733.910447	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+H+Na"	23.996494
"1462031"	252.635647	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H+Na"	23.996494
"1054548"	168.759523333333	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2H+Na"	25.00377
"1260599"	514.308286	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+CH3OH+H"	33.033486
"379173"	1001.512758	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+K"	38.963158
"745636"	1482.787558	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+K"	38.963158
"1543314"	520.237958	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+K"	38.963158
"302678"	501.260017	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+H+K"	39.970434
"694007"	741.897417	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+H+K"	39.970434
"1452199"	260.622617	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H+K"	39.970434
"237157"	1004.583426	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+ACN+H"	42.033826
"1210716"	523.308626	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+ACN+H"	42.033826
"1195455"	262.157951	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+ACN+2H"	43.041102
"193553"	1007.52076	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+2Na-H"	44.97116
"636393"	1488.79556	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+2Na-H"	44.97116
"1134431"	526.24596	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2Na-H"	44.97116
"174807"	504.264018	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+2Na"	45.978436
"616191"	744.901418	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+2Na"	45.978436
"1118968"	263.626618	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2Na"	45.978436
"1403597"	176.086837333333	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H+2Na"	46.985712
"1434619"	528.287546	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H+HCOOH"	47.012746
"225046"	509.29704	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+3H2O+2H"	56.04448
"1513107"	542.33959	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+IsoProp+H"	61.06479
"413885"	512.250988	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+Na+K"	61.952376
"772692"	752.888388	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+Na+K"	61.952376
"1669392"	271.613588	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Na+K"	61.952376
"258827"	1026.565368	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+ACN+Na"	64.015768
"1229347"	545.290568	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+ACN+Na"	64.015768
"1713011"	545.314093	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+NH4+HCOOH"	64.039293
"1179094"	183.414151333333	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+3Na"	68.967654
"1650320"	550.269488	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Na+HCOOH"	68.994688
"158033"	1039.46864	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+2K-H"	76.91904
"598079"	1520.74344	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+2K-H"	76.91904
"1084373"	558.19384	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2K-H"	76.91904
"143780"	520.237958	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"2M+2K"	77.926316
"588460"	760.875358	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"3M+2K"	77.926316
"1076252"	279.600558	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2K"	77.926316
"1113964"	560.208392	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2K+H"	78.933592
"1349254"	560.296007	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+DMSO+H"	79.021207
"1018390"	564.335176	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2ACN+H"	83.060376
"1537971"	565.328808	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+IsoProp+Na+H"	84.054008
"998951"	282.671226	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+2ACN+2H"	84.067652
"1596735"	566.243428	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+K+HCOOH"	84.968628
"1429687"	596.274938	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+H+CF3COOH"	115.000138
"1162529"	303.184501	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+3ACN+2H"	125.094202
"1712076"	613.301485	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+NH4+CF3COOH"	132.026685
"1649187"	618.25688	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+Na+CF3COOH"	136.98208
"1585565"	634.23082	"C17704"	"Antibiotic JI-20A;JI-20A"	"C19H39N5O9"	"481.2748"	"M+K+CF3COOH"	152.95602
"812652"	495.2904	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M"	0
"979623"	476.27201	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-H2O-H"	-19.01839
"66772"	329.186324	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M-3H"	-3.021828
"512896"	494.283124	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M-3H"	-3.021828
"888510"	164.089524	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-3H"	-3.021828
"4896"	494.283124	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M-2H"	-2.014552
"442269"	741.928324	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M-2H"	-2.014552
"822258"	246.637924	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-2H"	-2.014552
"79209"	989.573524	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M-H"	-1.007276
"519499"	1484.863924	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M-H"	-1.007276
"898517"	494.283124	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-H"	-1.007276
"48639"	1006.600071	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M-2H+NH4"	16.019271
"488442"	1501.890471	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M-2H+NH4"	16.019271
"865999"	511.309671	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-2H+NH4"	16.019271
"34141"	1011.555466	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M-2H+Na"	20.974666
"475525"	1506.845866	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M-2H+Na"	20.974666
"855515"	516.265066	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-2H+Na"	20.974666
"1619215"	516.265066	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Na-2H"	20.974666
"101588"	512.271463	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M-H+Cl"	33.962126
"536045"	759.916663	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M-H+Cl"	33.962126
"928220"	264.626263	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-H+Cl"	33.962126
"267742"	1025.550202	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+Cl"	34.969402
"661387"	1520.840602	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+Cl"	34.969402
"1281327"	530.259802	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Cl"	34.969402
"26071"	1027.529406	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M-2H+K"	36.948606
"468913"	1522.819806	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M-2H+K"	36.948606
"845620"	532.239006	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-2H+K"	36.948606
"1571059"	532.239006	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+K-2H"	36.948606
"958339"	540.288594	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-H+HCOOH"	44.998194
"375940"	1035.579001	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+HCOOH-H"	44.998201
"357634"	1049.594651	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+Hac-H"	59.013851
"1501364"	554.304251	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Hac-H"	59.013851
"966719"	562.270551	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-H+NaCOOH"	66.980151
"116719"	530.259802	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+2Cl"	69.938804
"560658"	777.905002	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+2Cl"	69.938804
"1027271"	282.614602	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2Cl"	69.938804
"1242839"	574.209285	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Br"	78.918885
"1316588"	576.265272	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Cl+HCOOH"	80.974872
"1331167"	598.247229	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Cl+NaCOOH"	102.956829
"920037"	608.275986	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M-H+CF3COOH"	112.985586
"1298932"	644.252664	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Cl+CF3COOH"	148.962264
"1371262"	460.277724	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H-2H2O"	-35.012676
"1386937"	478.2877	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H-H2O"	-17.0027
"287718"	991.588076	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+H"	1.007276
"683421"	1486.878476	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+H"	1.007276
"1359771"	496.297676	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H"	1.007276
"138130"	496.297676	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+2H"	2.014552
"575507"	743.942876	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+2H"	2.014552
"1048682"	248.652476	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2H"	2.014552
"216583"	331.200876	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+3H"	3.021828
"652864"	496.297676	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+3H"	3.021828
"1172082"	166.104076	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+3H"	3.021828
"435354"	1008.614623	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+NH4"	18.033823
"798540"	1503.905023	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+NH4"	18.033823
"1692680"	513.324223	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+NH4"	18.033823
"342050"	504.8109495	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+H+NH4"	19.041099
"733379"	752.4561495	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+H+NH4"	19.041099
"1488290"	257.1657495	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H+NH4"	19.041099
"401507"	1013.570018	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+Na"	22.989218
"765782"	1508.860418	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+Na"	22.989218
"1611693"	518.279618	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Na"	22.989218
"316630"	507.288647	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+H+Na"	23.996494
"710874"	754.933847	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+H+Na"	23.996494
"1465786"	259.643447	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H+Na"	23.996494
"1056845"	173.43139	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2H+Na"	25.00377
"1260710"	528.323886	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+CH3OH+H"	33.033486
"380378"	1029.543958	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+K"	38.963158
"745746"	1524.834358	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+K"	38.963158
"1545612"	534.253558	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+K"	38.963158
"304976"	515.275617	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+H+K"	39.970434
"695211"	762.920817	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+H+K"	39.970434
"1450123"	267.630417	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H+K"	39.970434
"237996"	1032.614626	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+ACN+H"	42.033826
"1211069"	537.324226	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+ACN+H"	42.033826
"1198606"	269.165751	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+ACN+2H"	43.041102
"191480"	1035.55196	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+2Na-H"	44.97116
"632133"	1530.84236	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+2Na-H"	44.97116
"1140013"	540.26156	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2Na-H"	44.97116
"176742"	518.279618	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+2Na"	45.978436
"617032"	765.924818	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+2Na"	45.978436
"1119081"	270.634418	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2Na"	45.978436
"1400791"	180.758704	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H+2Na"	46.985712
"1434729"	542.303146	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H+HCOOH"	47.012746
"223331"	523.31264	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+3H2O+2H"	56.04448
"1512122"	556.35519	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+IsoProp+H"	61.06479
"412903"	526.266588	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+Na+K"	61.952376
"771221"	773.911788	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+Na+K"	61.952376
"1676793"	278.621388	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Na+K"	61.952376
"256750"	1054.596568	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+ACN+Na"	64.015768
"1239300"	559.306168	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+ACN+Na"	64.015768
"1713606"	559.329693	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+NH4+HCOOH"	64.039293
"1179566"	188.086018	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+3Na"	68.967654
"1651402"	564.285088	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Na+HCOOH"	68.994688
"158019"	1067.49984	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+2K-H"	76.91904
"598794"	1562.79024	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+2K-H"	76.91904
"1085980"	572.20944	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2K-H"	76.91904
"143889"	534.253558	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"2M+2K"	77.926316
"590756"	781.898758	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"3M+2K"	77.926316
"1074174"	286.608358	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2K"	77.926316
"1111759"	574.223992	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2K+H"	78.933592
"1348756"	574.311607	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+DMSO+H"	79.021207
"1017769"	578.350776	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2ACN+H"	83.060376
"1535894"	579.344408	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+IsoProp+Na+H"	84.054008
"999061"	289.679026	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+2ACN+2H"	84.067652
"1596845"	580.259028	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+K+HCOOH"	84.968628
"1420318"	610.290538	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+H+CF3COOH"	115.000138
"1162521"	310.192301	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+3ACN+2H"	125.094202
"1703438"	627.317085	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+NH4+CF3COOH"	132.026685
"1649621"	632.27248	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+Na+CF3COOH"	136.98208
"1585675"	648.24642	"C17705"	"Antibiotic JI-20B;JI-20B"	"C20H41N5O9"	"495.2904"	"M+K+CF3COOH"	152.95602
"809481"	463.3006	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M"	0
"976817"	444.28221	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-H2O-H"	-19.01839
"69069"	307.859790666667	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M-3H"	-3.021828
"506442"	462.293324	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M-3H"	-3.021828
"882055"	153.426257333333	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-3H"	-3.021828
"5002"	462.293324	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M-2H"	-2.014552
"443833"	693.943624	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M-2H"	-2.014552
"819447"	230.643024	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-2H"	-2.014552
"80169"	925.593924	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M-H"	-1.007276
"523011"	1388.894524	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M-H"	-1.007276
"899718"	462.293324	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-H"	-1.007276
"50813"	942.620471	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M-2H+NH4"	16.019271
"494745"	1405.921071	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M-2H+NH4"	16.019271
"878016"	479.319871	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-2H+NH4"	16.019271
"44821"	947.575866	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M-2H+Na"	20.974666
"472070"	1410.876466	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M-2H+Na"	20.974666
"848775"	484.275266	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-2H+Na"	20.974666
"1622970"	484.275266	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Na-2H"	20.974666
"95256"	480.281663	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M-H+Cl"	33.962126
"534400"	711.931963	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M-H+Cl"	33.962126
"927587"	248.631363	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-H+Cl"	33.962126
"267319"	961.570602	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+Cl"	34.969402
"662104"	1424.871202	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+Cl"	34.969402
"1274143"	498.270002	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Cl"	34.969402
"21806"	963.549806	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M-2H+K"	36.948606
"462459"	1426.850406	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M-2H+K"	36.948606
"837341"	500.249206	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-2H+K"	36.948606
"1564844"	500.249206	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+K-2H"	36.948606
"950539"	508.298794	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-H+HCOOH"	44.998194
"369850"	971.599401	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+HCOOH-H"	44.998201
"355921"	985.615051	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+Hac-H"	59.013851
"1499286"	522.314451	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Hac-H"	59.013851
"965732"	530.280751	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-H+NaCOOH"	66.980151
"115734"	498.270002	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+2Cl"	69.938804
"559674"	729.920302	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+2Cl"	69.938804
"1030661"	266.619702	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2Cl"	69.938804
"1244773"	542.219485	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Br"	78.918885
"1317061"	544.275472	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Cl+HCOOH"	80.974872
"1331276"	566.257429	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Cl+NaCOOH"	102.956829
"916867"	576.286186	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M-H+CF3COOH"	112.985586
"1294668"	612.262864	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Cl+CF3COOH"	148.962264
"1369549"	428.287924	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H-2H2O"	-35.012676
"1387047"	446.2979	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H-H2O"	-17.0027
"286734"	927.608476	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+H"	1.007276
"680251"	1390.909076	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+H"	1.007276
"1359881"	464.307876	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H"	1.007276
"137512"	464.307876	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+2H"	2.014552
"574524"	695.958176	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+2H"	2.014552
"1052073"	232.657576	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2H"	2.014552
"212318"	309.874342666667	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+3H"	3.021828
"656254"	464.307876	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+3H"	3.021828
"1168911"	155.440809333333	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+3H"	3.021828
"429997"	944.635023	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+NH4"	18.033823
"795365"	1407.935623	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+NH4"	18.033823
"1691694"	481.334423	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+NH4"	18.033823
"338881"	472.8211495	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+H+NH4"	19.041099
"733489"	704.4714495	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+H+NH4"	19.041099
"1487307"	241.1708495	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H+NH4"	19.041099
"401618"	949.590418	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+Na"	22.989218
"768081"	1412.891018	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+Na"	22.989218
"1613993"	486.289818	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Na"	22.989218
"317467"	475.298847	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+H+Na"	23.996494
"709890"	706.949147	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+H+Na"	23.996494
"1465531"	243.648547	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H+Na"	23.996494
"1055863"	162.768123333333	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2H+Na"	25.00377
"1260454"	496.334086	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+CH3OH+H"	33.033486
"380851"	965.564358	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+K"	38.963158
"741847"	1428.864958	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+K"	38.963158
"1541715"	502.263758	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+K"	38.963158
"301441"	483.285817	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+H+K"	39.970434
"692162"	714.936117	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+H+K"	39.970434
"1447683"	251.635517	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H+K"	39.970434
"237010"	968.635026	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+ACN+H"	42.033826
"1213007"	505.334426	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+ACN+H"	42.033826
"1197988"	253.170851	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+ACN+2H"	43.041102
"190496"	971.57236	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+2Na-H"	44.97116
"633702"	1434.87296	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+2Na-H"	44.97116
"1139031"	508.27176	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2Na-H"	44.97116
"176852"	486.289818	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+2Na"	45.978436
"616778"	717.940118	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+2Na"	45.978436
"1121016"	254.639518	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2Na"	45.978436
"1402358"	170.095437333333	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H+2Na"	46.985712
"1437757"	510.313346	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H+HCOOH"	47.012746
"224535"	491.32284	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+3H2O+2H"	56.04448
"1512231"	524.36539	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+IsoProp+H"	61.06479
"414107"	494.276788	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+Na+K"	61.952376
"771821"	725.927088	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+Na+K"	61.952376
"1680062"	262.626488	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Na+K"	61.952376
"261235"	990.616968	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+ACN+Na"	64.015768
"1238318"	527.316368	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+ACN+Na"	64.015768
"1722828"	527.339893	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+NH4+HCOOH"	64.039293
"1180042"	177.422751333333	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+3Na"	68.967654
"1651635"	532.295288	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Na+HCOOH"	68.994688
"158013"	1003.52024	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+2K-H"	76.91904
"599634"	1466.82084	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+2K-H"	76.91904
"1086095"	540.21964	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2K-H"	76.91904
"143636"	502.263758	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"2M+2K"	77.926316
"588679"	733.914058	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"3M+2K"	77.926316
"1074284"	270.613458	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2K"	77.926316
"1115157"	542.234192	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2K+H"	78.933592
"1351055"	542.321807	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+DMSO+H"	79.021207
"1017879"	546.360976	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2ACN+H"	83.060376
"1536004"	547.354608	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+IsoProp+Na+H"	84.054008
"999171"	273.684126	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+2ACN+2H"	84.067652
"1596955"	548.269228	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+K+HCOOH"	84.968628
"1420428"	578.300738	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+H+CF3COOH"	115.000138
"1162684"	294.197401	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+3ACN+2H"	125.094202
"1703548"	595.327285	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+NH4+CF3COOH"	132.026685
"1649042"	600.28268	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+Na+CF3COOH"	136.98208
"1585785"	616.25662	"C17706"	"Gentamicin C2b;Sagamicin"	"C20H41N5O7"	"463.3006"	"M+K+CF3COOH"	152.95602
"809591"	761.3542	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M"	0
"976563"	742.33581	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-H2O-H"	-19.01839
"63711"	506.562190666667	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M-3H"	-3.021828
"506552"	760.346924	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M-3H"	-3.021828
"881436"	252.777457333333	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-3H"	-3.021828
"3289"	760.346924	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M-2H"	-2.014552
"441754"	1141.024024	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M-2H"	-2.014552
"818583"	379.669824	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-2H"	-2.014552
"79671"	1521.701124	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M-H"	-1.007276
"525308"	2283.055324	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M-H"	-1.007276
"897032"	760.346924	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-H"	-1.007276
"49830"	1538.727671	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M-2H+NH4"	16.019271
"493762"	2300.081871	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M-2H+NH4"	16.019271
"874843"	777.373471	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-2H+NH4"	16.019271
"43474"	1543.683066	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M-2H+Na"	20.974666
"471729"	2305.037266	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M-2H+Na"	20.974666
"848522"	782.328866	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-2H+Na"	20.974666
"1618644"	782.328866	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Na-2H"	20.974666
"95974"	778.335263	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M-H+Cl"	33.962126
"534433"	1159.012363	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M-H+Cl"	33.962126
"927175"	397.658163	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-H+Cl"	33.962126
"267762"	1557.677802	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+Cl"	34.969402
"662214"	2319.032002	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+Cl"	34.969402
"1273886"	796.323602	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Cl"	34.969402
"21186"	1559.657006	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M-2H+K"	36.948606
"461474"	2321.011206	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M-2H+K"	36.948606
"835264"	798.302806	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-2H+K"	36.948606
"1560579"	798.302806	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+K-2H"	36.948606
"949556"	806.352394	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-H+HCOOH"	44.998194
"368865"	1567.706601	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+HCOOH-H"	44.998201
"350924"	1581.722251	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+Hac-H"	59.013851
"1497209"	820.368051	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Hac-H"	59.013851
"962565"	828.334351	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-H+NaCOOH"	66.980151
"112930"	796.323602	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+2Cl"	69.938804
"558691"	1177.000702	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+2Cl"	69.938804
"1027491"	415.646502	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2Cl"	69.938804
"1244883"	840.273085	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Br"	78.918885
"1316078"	842.329072	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Cl+HCOOH"	80.974872
"1332480"	864.311029	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Cl+NaCOOH"	102.956829
"916977"	874.339786	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M-H+CF3COOH"	112.985586
"1294778"	910.316464	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Cl+CF3COOH"	148.962264
"1369659"	726.341524	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H-2H2O"	-35.012676
"1385333"	744.3515	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H-H2O"	-17.0027
"289031"	1523.715676	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+H"	1.007276
"679266"	2285.069876	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+H"	1.007276
"1359991"	762.361476	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H"	1.007276
"137986"	762.361476	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+2H"	2.014552
"571354"	1143.038576	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+2H"	2.014552
"1041244"	381.684376	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2H"	2.014552
"213521"	508.576742666667	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+3H"	3.021828
"654178"	762.361476	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+3H"	3.021828
"1169020"	254.792009333333	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+3H"	3.021828
"431200"	1540.742223	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+NH4"	18.033823
"796567"	2302.096423	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+NH4"	18.033823
"1691803"	779.388023	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+NH4"	18.033823
"340081"	770.8747495	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+H+NH4"	19.041099
"734691"	1151.5518495	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+H+NH4"	19.041099
"1490334"	390.1976495	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H+NH4"	19.041099
"399541"	1545.697618	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+Na"	22.989218
"762722"	2307.051818	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+Na"	22.989218
"1610823"	784.343418	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Na"	22.989218
"316118"	773.352447	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+H+Na"	23.996494
"709636"	1154.029547	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+H+Na"	23.996494
"1463092"	392.675347	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H+Na"	23.996494
"1053420"	262.119323333333	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2H+Na"	25.00377
"1257161"	794.387686	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+CH3OH+H"	33.033486
"381693"	1561.671558	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+K"	38.963158
"741592"	2323.025758	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+K"	38.963158
"1540611"	800.317358	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+K"	38.963158
"300094"	781.339417	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+H+K"	39.970434
"691783"	1162.016517	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+H+K"	39.970434
"1446129"	400.662317	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H+K"	39.970434
"237120"	1564.742226	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+ACN+H"	42.033826
"1210565"	803.388026	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+ACN+H"	42.033826
"1195423"	402.197651	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+ACN+2H"	43.041102
"192794"	1567.67956	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+2Na-H"	44.97116
"630532"	2329.03376	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+2Na-H"	44.97116
"1135862"	806.32536	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2Na-H"	44.97116
"175140"	784.343418	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+2Na"	45.978436
"615066"	1165.020518	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+2Na"	45.978436
"1118574"	403.666318	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2Na"	45.978436
"1401375"	269.446637333333	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H+2Na"	46.985712
"1432762"	808.366946	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H+HCOOH"	47.012746
"224281"	789.37644	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+3H2O+2H"	56.04448
"1512341"	822.41899	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+IsoProp+H"	61.06479
"415310"	792.330388	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+Na+K"	61.952376
"773025"	1173.007488	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+Na+K"	61.952376
"1671545"	411.653288	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Na+K"	61.952376
"259158"	1586.724168	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+ACN+Na"	64.015768
"1234054"	825.369968	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+ACN+Na"	64.015768
"1722938"	825.393493	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+NH4+HCOOH"	64.039293
"1179906"	276.773951333333	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+3Na"	68.967654
"1650649"	830.348888	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Na+HCOOH"	68.994688
"157636"	1599.62744	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+2K-H"	76.91904
"598285"	2360.98164	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+2K-H"	76.91904
"1085227"	838.27324	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2K-H"	76.91904
"141923"	800.317358	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"2M+2K"	77.926316
"587696"	1180.994458	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"3M+2K"	77.926316
"1075487"	419.640258	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2K"	77.926316
"1115400"	840.287792	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2K+H"	78.933592
"1351129"	840.375407	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+DMSO+H"	79.021207
"1016896"	844.414576	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2ACN+H"	83.060376
"1536114"	845.408208	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+IsoProp+Na+H"	84.054008
"999281"	422.710926	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+2ACN+2H"	84.067652
"1597065"	846.322828	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+K+HCOOH"	84.968628
"1420538"	876.354338	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+H+CF3COOH"	115.000138
"1162534"	443.224201	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+3ACN+2H"	125.094202
"1703658"	893.380885	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+NH4+CF3COOH"	132.026685
"1649152"	898.33628	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+Na+CF3COOH"	136.98208
"1582615"	914.31022	"C17707"	"Lividomycin A"	"C29H55N5O18"	"761.3542"	"M+K+CF3COOH"	152.95602
"809701"	405.2587	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M"	0
"976673"	386.24031	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-H2O-H"	-19.01839
"65278"	269.165190666667	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M-3H"	-3.021828
"507754"	404.251424	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M-3H"	-3.021828
"883369"	134.078957333333	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-3H"	-3.021828
"4128"	404.251424	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M-2H"	-2.014552
"442594"	606.880774	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M-2H"	-2.014552
"819301"	201.622074	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-2H"	-2.014552
"80390"	809.510124	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M-H"	-1.007276
"523231"	1214.768824	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M-H"	-1.007276
"897994"	404.251424	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-H"	-1.007276
"51033"	826.536671	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M-2H+NH4"	16.019271
"493872"	1231.795371	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M-2H+NH4"	16.019271
"871673"	421.277971	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-2H+NH4"	16.019271
"45041"	831.492066	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M-2H+Na"	20.974666
"472695"	1236.750766	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M-2H+Na"	20.974666
"849035"	426.233366	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-2H+Na"	20.974666
"1621003"	426.233366	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Na-2H"	20.974666
"97906"	422.239763	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M-H+Cl"	33.962126
"534455"	624.869113	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M-H+Cl"	33.962126
"927565"	219.610413	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-H+Cl"	33.962126
"267459"	845.486802	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+Cl"	34.969402
"660418"	1250.745502	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+Cl"	34.969402
"1273144"	440.228102	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Cl"	34.969402
"16675"	847.466006	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M-2H+K"	36.948606
"462313"	1252.724706	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M-2H+K"	36.948606
"837195"	442.207306	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-2H+K"	36.948606
"1561782"	442.207306	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+K-2H"	36.948606
"946746"	450.256894	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-H+HCOOH"	44.998194
"367877"	855.515601	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+HCOOH-H"	44.998201
"351031"	869.531251	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+Hac-H"	59.013851
"1495859"	464.272551	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Hac-H"	59.013851
"962670"	472.238851	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-H+NaCOOH"	66.980151
"114128"	440.228102	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+2Cl"	69.938804
"553323"	642.857452	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+2Cl"	69.938804
"1028691"	237.598752	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2Cl"	69.938804
"1247180"	484.177585	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Br"	78.918885
"1316188"	486.233572	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Cl+HCOOH"	80.974872
"1332589"	508.215529	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Cl+NaCOOH"	102.956829
"920367"	518.244286	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M-H+CF3COOH"	112.985586
"1293794"	554.220964	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Cl+CF3COOH"	148.962264
"1369402"	370.246024	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H-2H2O"	-35.012676
"1385807"	388.256	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H-H2O"	-17.0027
"288047"	811.524676	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+H"	1.007276
"680103"	1216.783376	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+H"	1.007276
"1365447"	406.265976	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H"	1.007276
"139551"	406.265976	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+2H"	2.014552
"580206"	608.895326	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+2H"	2.014552
"1052619"	203.636626	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2H"	2.014552
"209255"	271.179742666667	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+3H"	3.021828
"655380"	406.265976	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+3H"	3.021828
"1169130"	136.093509333333	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+3H"	3.021828
"431309"	828.551223	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+NH4"	18.033823
"793397"	1233.809923	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+NH4"	18.033823
"1689726"	423.292523	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+NH4"	18.033823
"344567"	414.7792495	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+H+NH4"	19.041099
"735893"	617.4085995	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+H+NH4"	19.041099
"1489714"	212.1498995	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H+NH4"	19.041099
"397465"	833.506618	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+Na"	22.989218
"763925"	1238.765318	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+Na"	22.989218
"1610932"	428.247918	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Na"	22.989218
"316595"	417.256947	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+H+Na"	23.996494
"709379"	619.886297	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+H+Na"	23.996494
"1462469"	214.627597	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H+Na"	23.996494
"1054259"	143.420823333333	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2H+Na"	25.00377
"1259213"	438.292186	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+CH3OH+H"	33.033486
"382897"	849.480558	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+K"	38.963158
"743891"	1254.739258	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+K"	38.963158
"1541208"	444.221858	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+K"	38.963158
"300935"	425.243917	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+H+K"	39.970434
"694450"	627.873267	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+H+K"	39.970434
"1448269"	222.614567	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H+K"	39.970434
"236748"	852.551226	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+ACN+H"	42.033826
"1211041"	447.292526	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+ACN+H"	42.033826
"1196750"	224.149901	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+ACN+2H"	43.041102
"191079"	855.48856	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+2Na-H"	44.97116
"629424"	1260.74726	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+2Na-H"	44.97116
"1133782"	450.22986	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2Na-H"	44.97116
"174520"	428.247918	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+2Na"	45.978436
"617364"	630.877268	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+2Na"	45.978436
"1122329"	225.618568	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2Na"	45.978436
"1401849"	150.748137333333	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H+2Na"	46.985712
"1433965"	452.271446	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H+HCOOH"	47.012746
"226577"	433.28094	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+3H2O+2H"	56.04448
"1512815"	466.32349	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+IsoProp+H"	61.06479
"418698"	436.234888	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+Na+K"	61.952376
"775321"	638.864238	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+Na+K"	61.952376
"1672749"	233.605538	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Na+K"	61.952376
"261455"	874.533168	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+ACN+Na"	64.015768
"1235987"	469.274468	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+ACN+Na"	64.015768
"1721954"	469.297993	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+NH4+HCOOH"	64.039293
"1178636"	158.075451333333	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+3Na"	68.967654
"1650151"	474.253388	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Na+HCOOH"	68.994688
"157581"	887.43644	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+2K-H"	76.91904
"599004"	1292.69514	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+2K-H"	76.91904
"1084849"	482.17774	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2K-H"	76.91904
"142277"	444.221858	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"2M+2K"	77.926316
"586713"	646.851208	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"3M+2K"	77.926316
"1073411"	241.592508	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2K"	77.926316
"1115549"	484.192292	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2K+H"	78.933592
"1351143"	484.279907	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+DMSO+H"	79.021207
"1019316"	488.319076	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2ACN+H"	83.060376
"1538048"	489.312708	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+IsoProp+Na+H"	84.054008
"999391"	244.663176	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+2ACN+2H"	84.067652
"1597175"	490.227328	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+K+HCOOH"	84.968628
"1419555"	520.258838	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+H+CF3COOH"	115.000138
"1161873"	265.176451	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+3ACN+2H"	125.094202
"1703768"	537.285385	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+NH4+CF3COOH"	132.026685
"1649263"	542.24078	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+Na+CF3COOH"	136.98208
"1586005"	558.21472	"C17708"	"Fortimicin A;Astromicin"	"C17H35N5O6"	"405.2587"	"M+K+CF3COOH"	152.95602
"809811"	348.2373	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M"	0
"980063"	329.21891	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H2O-H"	-19.01839
"67211"	231.150924	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-3H"	-3.021828
"507865"	347.230024	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-3H"	-3.021828
"884572"	115.071824	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-3H"	-3.021828
"8611"	347.230024	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H"	-2.014552
"445986"	521.348674	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H"	-2.014552
"822694"	173.111374	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H"	-2.014552
"82687"	695.467324	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-H"	-1.007276
"527714"	1043.704624	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-H"	-1.007276
"898955"	347.230024	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H"	-1.007276
"53329"	712.493871	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H+NH4"	16.019271
"493981"	1060.731171	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H+NH4"	16.019271
"871783"	364.256571	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H+NH4"	16.019271
"36403"	717.449266	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H+Na"	20.974666
"471953"	1065.686566	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H+Na"	20.974666
"849634"	369.211966	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H+Na"	20.974666
"1622206"	369.211966	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na-2H"	20.974666
"100203"	365.218363	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-H+Cl"	33.962126
"535019"	539.337013	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-H+Cl"	33.962126
"928050"	191.099713	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+Cl"	33.962126
"268917"	731.444002	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Cl"	34.969402
"664985"	1079.681302	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+Cl"	34.969402
"1274836"	383.206702	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl"	34.969402
"23954"	733.423206	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H+K"	36.948606
"460598"	1081.660506	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H+K"	36.948606
"836212"	385.185906	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H+K"	36.948606
"1561892"	385.185906	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K-2H"	36.948606
"946856"	393.235494	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+HCOOH"	44.998194
"367989"	741.472801	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+HCOOH-H"	44.998201
"350412"	755.488451	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Hac-H"	59.013851
"1497426"	407.251151	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Hac-H"	59.013851
"967155"	415.217451	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+NaCOOH"	66.980151
"116060"	383.206702	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2Cl"	69.938804
"552703"	557.325352	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2Cl"	69.938804
"1030985"	209.088052	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2Cl"	69.938804
"1251657"	427.156185	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Br"	78.918885
"1318121"	429.212172	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl+HCOOH"	80.974872
"1333794"	451.194129	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl+NaCOOH"	102.956829
"920477"	461.222886	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+CF3COOH"	112.985586
"1293904"	497.199564	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl+CF3COOH"	148.962264
"1370971"	313.224624	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H-2H2O"	-35.012676
"1384093"	331.2346	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H-H2O"	-17.0027
"288157"	697.481876	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H"	1.007276
"678391"	1045.719176	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H"	1.007276
"1363491"	349.244576	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H"	1.007276
"139661"	349.244576	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2H"	2.014552
"579223"	523.363226	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2H"	2.014552
"1052761"	175.125926	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2H"	2.014552
"211552"	233.165476	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+3H"	3.021828
"655490"	349.244576	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+3H"	3.021828
"1173614"	117.086376	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+3H"	3.021828
"434699"	714.508423	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+NH4"	18.033823
"796787"	1062.745723	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+NH4"	18.033823
"1693117"	366.271123	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+NH4"	18.033823
"345455"	357.7578495	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H+NH4"	19.041099
"736734"	531.8764995	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H+NH4"	19.041099
"1489823"	183.6391995	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+NH4"	19.041099
"404134"	719.463818	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Na"	22.989218
"762941"	1067.701118	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+Na"	22.989218
"1612134"	371.226518	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na"	22.989218
"319986"	360.235547	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H+Na"	23.996494
"710222"	534.354197	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H+Na"	23.996494
"1464038"	186.116897	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+Na"	23.996494
"1055097"	124.41369	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2H+Na"	25.00377
"1258108"	381.270786	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+CH3OH+H"	33.033486
"380820"	735.437758	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+K"	38.963158
"742908"	1083.675058	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+K"	38.963158
"1540709"	387.200458	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K"	38.963158
"302139"	368.222517	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H+K"	39.970434
"692007"	542.341167	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H+K"	39.970434
"1447285"	194.103867	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+K"	39.970434
"236249"	738.508426	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+ACN+H"	42.033826
"1214066"	390.271126	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+ACN+H"	42.033826
"1196130"	195.639201	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+ACN+2H"	43.041102
"190094"	741.44576	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2Na-H"	44.97116
"632208"	1089.68306	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2Na-H"	44.97116
"1136808"	393.20846	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2Na-H"	44.97116
"175723"	371.226518	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2Na"	45.978436
"614556"	545.345168	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2Na"	45.978436
"1120253"	197.107868	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2Na"	45.978436
"1404146"	131.741004	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+2Na"	46.985712
"1438085"	395.250046	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+HCOOH"	47.012746
"226686"	376.25954	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+3H2O+2H"	56.04448
"1515842"	409.30209	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+IsoProp+H"	61.06479
"416621"	379.213488	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Na+K"	61.952376
"778712"	553.332138	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+Na+K"	61.952376
"1673954"	205.094838	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na+K"	61.952376
"258287"	760.490368	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+ACN+Na"	64.015768
"1237920"	412.253068	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+ACN+Na"	64.015768
"1724617"	412.276593	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+NH4+HCOOH"	64.039293
"1179397"	139.068318	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+3Na"	68.967654
"1650339"	417.231988	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na+HCOOH"	68.994688
"157855"	773.39364	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2K-H"	76.91904
"598993"	1121.63094	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2K-H"	76.91904
"1085083"	425.15634	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2K-H"	76.91904
"142628"	387.200458	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2K"	77.926316
"585730"	561.319108	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2K"	77.926316
"1072428"	213.081808	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2K"	77.926316
"1115369"	427.170892	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2K+H"	78.933592
"1350417"	427.258507	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+DMSO+H"	79.021207
"1018697"	431.297676	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2ACN+H"	83.060376
"1531960"	432.291308	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+IsoProp+Na+H"	84.054008
"998408"	216.152476	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2ACN+2H"	84.067652
"1596192"	433.205928	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K+HCOOH"	84.968628
"1418571"	463.237438	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+CF3COOH"	115.000138
"1161862"	236.665751	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+3ACN+2H"	125.094202
"1703878"	480.263985	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+NH4+CF3COOH"	132.026685
"1649009"	485.21938	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na+CF3COOH"	136.98208
"1586115"	501.19332	"C17709"	"Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K+CF3COOH"	152.95602
"809921"	389.2638	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M"	0
"981266"	370.24541	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-H2O-H"	-19.01839
"66592"	258.501924	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M-3H"	-3.021828
"508339"	388.256524	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M-3H"	-3.021828
"883953"	128.747324	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-3H"	-3.021828
"5442"	388.256524	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M-2H"	-2.014552
"445003"	582.888424	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M-2H"	-2.014552
"822804"	193.624624	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-2H"	-2.014552
"86077"	777.520324	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M-H"	-1.007276
"527824"	1166.784124	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M-H"	-1.007276
"899065"	388.256524	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-H"	-1.007276
"53439"	794.546871	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M-2H+NH4"	16.019271
"490811"	1183.810671	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M-2H+NH4"	16.019271
"869706"	405.283071	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-2H+NH4"	16.019271
"33233"	799.502266	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M-2H+Na"	20.974666
"471609"	1188.766066	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M-2H+Na"	20.974666
"848639"	410.238466	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-2H+Na"	20.974666
"1621223"	410.238466	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Na-2H"	20.974666
"101042"	406.244863	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M-H+Cl"	33.962126
"535862"	600.876763	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M-H+Cl"	33.962126
"928647"	211.612963	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-H+Cl"	33.962126
"269027"	813.497002	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+Cl"	34.969402
"666190"	1202.760802	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+Cl"	34.969402
"1276039"	424.233202	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Cl"	34.969402
"23336"	815.476206	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M-2H+K"	36.948606
"458887"	1204.740006	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M-2H+K"	36.948606
"837415"	426.212406	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-2H+K"	36.948606
"1562002"	426.212406	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+K-2H"	36.948606
"946603"	434.261994	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-H+HCOOH"	44.998194
"368099"	823.525801	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+HCOOH-H"	44.998201
"349794"	837.541451	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+Hac-H"	59.013851
"1496444"	448.277651	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Hac-H"	59.013851
"966172"	456.243951	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-H+NaCOOH"	66.980151
"112889"	424.233202	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+2Cl"	69.938804
"550382"	618.865102	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+2Cl"	69.938804
"1023803"	229.601302	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2Cl"	69.938804
"1245206"	468.182685	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Br"	78.918885
"1314222"	470.238672	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Cl+HCOOH"	80.974872
"1332445"	492.220629	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Cl+NaCOOH"	102.956829
"920589"	502.249386	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M-H+CF3COOH"	112.985586
"1294014"	538.226064	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Cl+CF3COOH"	148.962264
"1368529"	354.251124	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H-2H2O"	-35.012676
"1383230"	372.2611	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H-H2O"	-17.0027
"286445"	779.534876	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+H"	1.007276
"677408"	1168.798676	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+H"	1.007276
"1363601"	390.271076	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H"	1.007276
"136491"	390.271076	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+2H"	2.014552
"580184"	584.902976	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+2H"	2.014552
"1052023"	195.639176	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2H"	2.014552
"211662"	260.516476	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+3H"	3.021828
"657423"	390.271076	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+3H"	3.021828
"1173724"	130.761876	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+3H"	3.021828
"434809"	796.561423	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+NH4"	18.033823
"795804"	1185.825223	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+NH4"	18.033823
"1693227"	407.297623	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+NH4"	18.033823
"344424"	398.7843495	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+H+NH4"	19.041099
"735020"	593.4162495	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+H+NH4"	19.041099
"1488840"	204.1524495	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H+NH4"	19.041099
"403151"	801.516818	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+Na"	22.989218
"759772"	1190.780618	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+Na"	22.989218
"1611151"	412.253018	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Na"	22.989218
"320096"	401.262047	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+H+Na"	23.996494
"710333"	595.893947	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+H+Na"	23.996494
"1465244"	206.630147	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H+Na"	23.996494
"1055573"	138.08919	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2H+Na"	25.00377
"1257610"	422.297286	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+CH3OH+H"	33.033486
"380930"	817.490758	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+K"	38.963158
"743018"	1206.754558	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+K"	38.963158
"1543975"	428.226958	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+K"	38.963158
"301154"	409.249017	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+H+K"	39.970434
"691996"	603.880917	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+H+K"	39.970434
"1446666"	214.617117	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H+K"	39.970434
"236073"	820.561426	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+ACN+H"	42.033826
"1211990"	431.297626	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+ACN+H"	42.033826
"1194411"	216.152451	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+ACN+2H"	43.041102
"190204"	823.49876	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+2Na-H"	44.97116
"633411"	1212.76256	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+2Na-H"	44.97116
"1136918"	434.23496	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2Na-H"	44.97116
"174860"	412.253018	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+2Na"	45.978436
"615759"	606.884918	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+2Na"	45.978436
"1119996"	217.621118	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2Na"	45.978436
"1407172"	145.416504	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H+2Na"	46.985712
"1439288"	436.276546	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H+HCOOH"	47.012746
"226796"	417.28604	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+3H2O+2H"	56.04448
"1517045"	450.32859	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+IsoProp+H"	61.06479
"415638"	420.239988	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+Na+K"	61.952376
"776635"	614.871888	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+Na+K"	61.952376
"1679408"	225.608088	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Na+K"	61.952376
"263862"	842.543368	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+ACN+Na"	64.015768
"1239973"	453.279568	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+ACN+Na"	64.015768
"1725455"	453.303093	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+NH4+HCOOH"	64.039293
"1178699"	152.743818	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+3Na"	68.967654
"1650130"	458.258488	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Na+HCOOH"	68.994688
"158085"	855.44664	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+2K-H"	76.91904
"598251"	1244.71044	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+2K-H"	76.91904
"1084626"	466.18284	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2K-H"	76.91904
"141765"	428.226958	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"2M+2K"	77.926316
"588026"	622.858858	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"3M+2K"	77.926316
"1074723"	233.595058	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2K"	77.926316
"1115446"	468.197392	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2K+H"	78.933592
"1351015"	468.285007	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+DMSO+H"	79.021207
"1018685"	472.324176	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2ACN+H"	83.060376
"1533163"	473.317808	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+IsoProp+Na+H"	84.054008
"997425"	236.665726	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+2ACN+2H"	84.067652
"1596302"	474.232428	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+K+HCOOH"	84.968628
"1418681"	504.263938	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+H+CF3COOH"	115.000138
"1161729"	257.179001	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+3ACN+2H"	125.094202
"1703988"	521.290485	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+NH4+CF3COOH"	132.026685
"1648998"	526.24588	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+Na+CF3COOH"	136.98208
"1586225"	542.21982	"C17710"	"Sannamycin A;Istamycin A"	"C17H35N5O5"	"389.2638"	"M+K+CF3COOH"	152.95602
"810031"	332.2424	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M"	0
"981376"	313.22401	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-H2O-H"	-19.01839
"66338"	220.487657333333	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M-3H"	-3.021828
"509178"	331.235124	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M-3H"	-3.021828
"885886"	109.740190666667	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-3H"	-3.021828
"7739"	331.235124	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M-2H"	-2.014552
"448393"	497.356324	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M-2H"	-2.014552
"826195"	165.113924	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-2H"	-2.014552
"88374"	663.477524	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M-H"	-1.007276
"530121"	995.719924	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M-H"	-1.007276
"901362"	331.235124	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-H"	-1.007276
"55736"	680.504071	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M-2H+NH4"	16.019271
"490921"	1012.746471	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M-2H+NH4"	16.019271
"872003"	348.261671	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-2H+NH4"	16.019271
"33464"	685.459466	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M-2H+Na"	20.974666
"471426"	1017.701866	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M-2H+Na"	20.974666
"848506"	353.217066	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-2H+Na"	20.974666
"1618698"	353.217066	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Na-2H"	20.974666
"100058"	349.223463	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M-H+Cl"	33.962126
"535243"	515.344663	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M-H+Cl"	33.962126
"928393"	183.102263	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-H+Cl"	33.962126
"269500"	699.454202	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+Cl"	34.969402
"667394"	1031.696602	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+Cl"	34.969402
"1274691"	367.211802	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Cl"	34.969402
"21258"	701.433406	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M-2H+K"	36.948606
"458633"	1033.675806	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M-2H+K"	36.948606
"836433"	369.191006	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-2H+K"	36.948606
"1562112"	369.191006	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+K-2H"	36.948606
"946713"	377.240594	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-H+HCOOH"	44.998194
"368209"	709.483001	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+HCOOH-H"	44.998201
"348812"	723.498651	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+Hac-H"	59.013851
"1494731"	391.256251	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Hac-H"	59.013851
"966281"	399.222551	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-H+NaCOOH"	66.980151
"114457"	367.211802	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+2Cl"	69.938804
"552194"	533.333002	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+2Cl"	69.938804
"1023550"	201.090602	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2Cl"	69.938804
"1246409"	411.161285	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Br"	78.918885
"1316519"	413.217272	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Cl+HCOOH"	80.974872
"1330735"	435.199229	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Cl+NaCOOH"	102.956829
"921791"	445.227986	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M-H+CF3COOH"	112.985586
"1294124"	481.204664	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Cl+CF3COOH"	148.962264
"1371191"	297.229724	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H-2H2O"	-35.012676
"1383137"	315.2397	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H-H2O"	-17.0027
"285462"	665.492076	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+H"	1.007276
"677518"	997.734476	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+H"	1.007276
"1360431"	333.249676	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H"	1.007276
"136601"	333.249676	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+2H"	2.014552
"579443"	499.370876	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+2H"	2.014552
"1051775"	167.128476	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2H"	2.014552
"210678"	222.502209333333	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+3H"	3.021828
"654615"	333.249676	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+3H"	3.021828
"1172740"	111.754742666667	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+3H"	3.021828
"437350"	682.518623	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+NH4"	18.033823
"795913"	1014.761023	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+NH4"	18.033823
"1692243"	350.276223	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+NH4"	18.033823
"344414"	341.7629495	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+H+NH4"	19.041099
"736956"	507.8841495	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+H+NH4"	19.041099
"1492114"	175.6417495	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H+NH4"	19.041099
"402168"	687.474018	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+Na"	22.989218
"760977"	1019.716418	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+Na"	22.989218
"1612356"	355.231618	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Na"	22.989218
"318021"	344.240647	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+H+Na"	23.996494
"714816"	510.361847	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+H+Na"	23.996494
"1465355"	178.119447	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H+Na"	23.996494
"1055319"	119.082056666667	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2H+Na"	25.00377
"1263559"	365.275886	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+CH3OH+H"	33.033486
"384320"	703.447958	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+K"	38.963158
"742036"	1035.690358	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+K"	38.963158
"1545178"	371.205558	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+K"	38.963158
"302357"	352.227617	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+H+K"	39.970434
"695872"	518.348817	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+H+K"	39.970434
"1448597"	186.106417	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H+K"	39.970434
"236470"	706.518626	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+ACN+H"	42.033826
"1210314"	374.276226	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+ACN+H"	42.033826
"1194199"	187.641751	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+ACN+2H"	43.041102
"190315"	709.45596	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+2Na-H"	44.97116
"634250"	1041.69836	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+2Na-H"	44.97116
"1132409"	377.21356	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2Na-H"	44.97116
"176674"	355.231618	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+2Na"	45.978436
"615505"	521.352818	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+2Na"	45.978436
"1119742"	189.110418	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2Na"	45.978436
"1403271"	126.409370666667	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H+2Na"	46.985712
"1434295"	379.255146	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H+HCOOH"	47.012746
"229093"	360.26464	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+3H2O+2H"	56.04448
"1514969"	393.30719	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+IsoProp+H"	61.06479
"419028"	363.218588	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+Na+K"	61.952376
"775286"	529.339788	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+Na+K"	61.952376
"1678546"	197.097388	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Na+K"	61.952376
"263971"	728.500568	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+ACN+Na"	64.015768
"1238866"	396.258168	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+ACN+Na"	64.015768
"1725565"	396.281693	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+NH4+HCOOH"	64.039293
"1179009"	133.736684666667	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+3Na"	68.967654
"1649873"	401.237088	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Na+HCOOH"	68.994688
"157304"	741.40384	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+2K-H"	76.91904
"597390"	1073.64624	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+2K-H"	76.91904
"1084291"	409.16144	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2K-H"	76.91904
"141438"	371.205558	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"2M+2K"	77.926316
"581514"	537.326758	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"3M+2K"	77.926316
"1075926"	205.084358	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2K"	77.926316
"1115430"	411.175992	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2K+H"	78.933592
"1351167"	411.263607	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+DMSO+H"	79.021207
"1018795"	415.302776	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2ACN+H"	83.060376
"1533273"	416.296408	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+IsoProp+Na+H"	84.054008
"995345"	208.155026	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+2ACN+2H"	84.067652
"1592036"	417.211028	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+K+HCOOH"	84.968628
"1418791"	447.242538	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+H+CF3COOH"	115.000138
"1161719"	228.668301	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+3ACN+2H"	125.094202
"1704098"	464.269085	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+NH4+CF3COOH"	132.026685
"1649229"	469.22448	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+Na+CF3COOH"	136.98208
"1586335"	485.19842	"C17711"	"Sannamycin B;Istamycin A0"	"C15H32N4O4"	"332.2424"	"M+K+CF3COOH"	152.95602
"810141"	615.2963	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M"	0
"980393"	596.27791	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-H2O-H"	-19.01839
"66448"	409.190257333333	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M-3H"	-3.021828
"506006"	614.289024	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M-3H"	-3.021828
"884903"	204.091490666667	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-3H"	-3.021828
"12224"	614.289024	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M-2H"	-2.014552
"448504"	921.937174	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M-2H"	-2.014552
"828492"	306.640874	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-2H"	-2.014552
"84109"	1229.585324	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M-H"	-1.007276
"528045"	1844.881624	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M-H"	-1.007276
"901471"	614.289024	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-H"	-1.007276
"52566"	1246.611871	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M-2H+NH4"	16.019271
"494312"	1861.908171	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M-2H+NH4"	16.019271
"873207"	631.315571	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-2H+NH4"	16.019271
"34546"	1251.567266	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M-2H+Na"	20.974666
"473015"	1866.863566	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M-2H+Na"	20.974666
"854098"	636.270966	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-2H+Na"	20.974666
"1620350"	636.270966	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Na-2H"	20.974666
"97251"	632.277363	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M-H+Cl"	33.962126
"537540"	939.925513	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M-H+Cl"	33.962126
"927281"	324.629213	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-H+Cl"	33.962126
"267909"	1265.562002	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+Cl"	34.969402
"667504"	1880.858302	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+Cl"	34.969402
"1276988"	650.265702	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Cl"	34.969402
"19545"	1267.541206	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M-2H+K"	36.948606
"462023"	1882.837506	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M-2H+K"	36.948606
"835449"	652.244906	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-2H+K"	36.948606
"1564408"	652.244906	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+K-2H"	36.948606
"946821"	660.294494	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-H+HCOOH"	44.998194
"365037"	1275.590801	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+HCOOH-H"	44.998201
"350014"	1289.606451	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+Hac-H"	59.013851
"1493384"	674.310151	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Hac-H"	59.013851
"961289"	682.276451	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-H+NaCOOH"	66.980151
"114202"	650.265702	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+2Cl"	69.938804
"555221"	957.913852	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+2Cl"	69.938804
"1022806"	342.617552	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2Cl"	69.938804
"1245788"	694.215185	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Br"	78.918885
"1312255"	696.271172	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Cl+HCOOH"	80.974872
"1327563"	718.253129	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Cl+NaCOOH"	102.956829
"918620"	728.281886	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M-H+CF3COOH"	112.985586
"1294234"	764.258564	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Cl+CF3COOH"	148.962264
"1368021"	580.283624	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H-2H2O"	-35.012676
"1382966"	598.2936	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H-H2O"	-17.0027
"284478"	1231.599876	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+H"	1.007276
"676042"	1846.896176	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+H"	1.007276
"1360541"	616.303576	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H"	1.007276
"136711"	616.303576	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+2H"	2.014552
"574085"	923.951726	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+2H"	2.014552
"1052127"	308.655426	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2H"	2.014552
"209695"	411.204809333333	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+3H"	3.021828
"654725"	616.303576	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+3H"	3.021828
"1171757"	206.106042666667	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+3H"	3.021828
"435759"	1248.626423	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+NH4"	18.033823
"796024"	1863.922723	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+NH4"	18.033823
"1693447"	633.330123	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+NH4"	18.033823
"343183"	624.8168495	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+H+NH4"	19.041099
"737554"	932.4649995	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+H+NH4"	19.041099
"1491860"	317.1686995	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H+NH4"	19.041099
"400088"	1253.581818	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+Na"	22.989218
"761087"	1868.878118	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+Na"	22.989218
"1611373"	638.285518	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Na"	22.989218
"324692"	627.294547	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+H+Na"	23.996494
"720029"	934.942697	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+H+Na"	23.996494
"1466558"	319.646397	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H+Na"	23.996494
"1055430"	213.433356666667	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2H+Na"	25.00377
"1263669"	648.329786	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+CH3OH+H"	33.033486
"384430"	1269.555758	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+K"	38.963158
"744332"	1884.852058	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+K"	38.963158
"1542008"	654.259458	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+K"	38.963158
"302466"	635.281517	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+H+K"	39.970434
"695983"	942.929667	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+H+K"	39.970434
"1453082"	327.633367	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H+K"	39.970434
"237308"	1272.626426	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+ACN+H"	42.033826
"1209904"	657.330126	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+ACN+H"	42.033826
"1194233"	329.168701	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+ACN+2H"	43.041102
"190425"	1275.56376	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+2Na-H"	44.97116
"633996"	1890.86006	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+2Na-H"	44.97116
"1132153"	660.26746	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2Na-H"	44.97116
"177512"	638.285518	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+2Na"	45.978436
"615615"	945.933668	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+2Na"	45.978436
"1120583"	330.637368	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2Na"	45.978436
"1401558"	220.760670666667	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H+2Na"	46.985712
"1435863"	662.309046	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H+HCOOH"	47.012746
"226287"	643.31854	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+3H2O+2H"	56.04448
"1513256"	676.36109	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+IsoProp+H"	61.06479
"413670"	646.272488	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+Na+K"	61.952376
"775396"	953.920638	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+Na+K"	61.952376
"1671726"	338.624338	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Na+K"	61.952376
"261895"	1294.608368	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+ACN+Na"	64.015768
"1236790"	679.312068	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+ACN+Na"	64.015768
"1723489"	679.335593	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+NH4+HCOOH"	64.039293
"1178478"	228.087984666667	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+3Na"	68.967654
"1649923"	684.290988	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Na+HCOOH"	68.994688
"157289"	1307.51164	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+2K-H"	76.91904
"597329"	1922.80794	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+2K-H"	76.91904
"1084315"	692.21534	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2K-H"	76.91904
"141785"	654.259458	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"2M+2K"	77.926316
"581544"	961.907608	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"3M+2K"	77.926316
"1068725"	346.611308	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2K"	77.926316
"1115414"	694.229892	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2K+H"	78.933592
"1351316"	694.317507	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+DMSO+H"	79.021207
"1019633"	698.356676	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2ACN+H"	83.060376
"1535569"	699.350308	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+IsoProp+Na+H"	84.054008
"995455"	349.681976	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+2ACN+2H"	84.067652
"1592146"	700.264928	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+K+HCOOH"	84.968628
"1418901"	730.296438	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+H+CF3COOH"	115.000138
"1162436"	370.195251	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+3ACN+2H"	125.094202
"1700928"	747.322985	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+NH4+CF3COOH"	132.026685
"1648974"	752.27838	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+Na+CF3COOH"	136.98208
"1586445"	768.25232	"C17712"	"Paromomycin II;Neomycin F"	"C23H45N5O14"	"615.2963"	"M+K+CF3COOH"	152.95602
"816084"	532.3294	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M"	0
"985971"	513.31101	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-H2O-H"	-19.01839
"74214"	353.878990666667	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M-3H"	-3.021828
"509399"	531.322124	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M-3H"	-3.021828
"887200"	176.435857333333	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-3H"	-3.021828
"6867"	531.322124	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M-2H"	-2.014552
"446429"	797.486824	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M-2H"	-2.014552
"826417"	265.157424	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-2H"	-2.014552
"86408"	1063.651524	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M-H"	-1.007276
"529979"	1595.980924	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M-H"	-1.007276
"901582"	531.322124	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-H"	-1.007276
"58144"	1080.678071	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M-2H+NH4"	16.019271
"494422"	1613.007471	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M-2H+NH4"	16.019271
"873318"	548.348671	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-2H+NH4"	16.019271
"37938"	1085.633466	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M-2H+Na"	20.974666
"477499"	1617.962866	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M-2H+Na"	20.974666
"859675"	553.304066	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-2H+Na"	20.974666
"1625928"	553.304066	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Na-2H"	20.974666
"96997"	549.310463	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M-H+Cl"	33.962126
"536921"	815.475163	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M-H+Cl"	33.962126
"928247"	283.145763	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-H+Cl"	33.962126
"268993"	1099.628202	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+Cl"	34.969402
"667614"	1631.957602	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+Cl"	34.969402
"1281109"	567.298802	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Cl"	34.969402
"25487"	1101.607406	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M-2H+K"	36.948606
"463227"	1633.936806	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M-2H+K"	36.948606
"838840"	569.278006	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-2H+K"	36.948606
"1564518"	569.278006	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+K-2H"	36.948606
"948025"	577.327594	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-H+HCOOH"	44.998194
"371708"	1109.657001	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+HCOOH-H"	44.998201
"354133"	1123.672651	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+Hac-H"	59.013851
"1498963"	591.343251	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Hac-H"	59.013851
"962128"	599.309551	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-H+NaCOOH"	66.980151
"115407"	567.298802	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+2Cl"	69.938804
"553508"	833.463502	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+2Cl"	69.938804
"1024137"	301.134102	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2Cl"	69.938804
"1244804"	611.248285	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Br"	78.918885
"1308710"	613.304272	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Cl+HCOOH"	80.974872
"1329859"	635.286229	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Cl+NaCOOH"	102.956829
"919824"	645.314986	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M-H+CF3COOH"	112.985586
"1293253"	681.291664	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Cl+CF3COOH"	148.962264
"1374693"	497.316724	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H-2H2O"	-35.012676
"1390003"	515.3267	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H-H2O"	-17.0027
"289692"	1065.666076	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+H"	1.007276
"684301"	1597.995476	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+H"	1.007276
"1366119"	533.336676	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H"	1.007276
"140954"	533.336676	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+2H"	2.014552
"581320"	799.501376	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+2H"	2.014552
"1052119"	267.171976	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2H"	2.014552
"213085"	355.893542666667	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+3H"	3.021828
"658967"	533.336676	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+3H"	3.021828
"1176120"	178.450409333333	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+3H"	3.021828
"436231"	1082.692623	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+NH4"	18.033823
"798324"	1615.022023	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+NH4"	18.033823
"1691370"	550.363223	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+NH4"	18.033823
"345118"	541.8499495	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+H+NH4"	19.041099
"737823"	808.0146495	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+H+NH4"	19.041099
"1490264"	275.6852495	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H+NH4"	19.041099
"400202"	1087.648018	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+Na"	22.989218
"766666"	1619.977418	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+Na"	22.989218
"1609297"	555.318618	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Na"	22.989218
"326629"	544.327647	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+H+Na"	23.996494
"719410"	810.492347	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+H+Na"	23.996494
"1472137"	278.162947	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H+Na"	23.996494
"1061008"	185.777723333333	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2H+Na"	25.00377
"1265967"	565.362886	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+CH3OH+H"	33.033486
"387822"	1103.621958	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+K"	38.963158
"745537"	1635.951358	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+K"	38.963158
"1547589"	571.292558	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+K"	38.963158
"305858"	552.314617	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+H+K"	39.970434
"700467"	818.479317	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+H+K"	39.970434
"1452099"	286.149917	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H+K"	39.970434
"235963"	1106.692626	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+ACN+H"	42.033826
"1210499"	574.363226	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+ACN+H"	42.033826
"1194501"	287.685251	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+ACN+2H"	43.041102
"192361"	1109.62996	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+2Na-H"	44.97116
"634110"	1641.95936	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+2Na-H"	44.97116
"1136523"	577.30056	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2Na-H"	44.97116
"178720"	555.318618	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+2Na"	45.978436
"616458"	821.483318	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+2Na"	45.978436
"1120328"	289.153918	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2Na"	45.978436
"1404585"	193.105037333333	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H+2Na"	46.985712
"1434879"	579.342146	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H+HCOOH"	47.012746
"227126"	560.35164	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+3H2O+2H"	56.04448
"1521752"	593.39419	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+IsoProp+H"	61.06479
"417061"	563.305588	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+Na+K"	61.952376
"782434"	829.470288	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+Na+K"	61.952376
"1675484"	297.140888	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Na+K"	61.952376
"256533"	1128.674568	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+ACN+Na"	64.015768
"1238726"	596.345168	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+ACN+Na"	64.015768
"1724330"	596.368693	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+NH4+HCOOH"	64.039293
"1184577"	200.432351333333	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+3Na"	68.967654
"1654469"	601.324088	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Na+HCOOH"	68.994688
"162791"	1141.57784	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+2K-H"	76.91904
"600900"	1673.90724	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+2K-H"	76.91904
"1085775"	609.24844	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2K-H"	76.91904
"142098"	571.292558	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"2M+2K"	77.926316
"591633"	837.457258	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"3M+2K"	77.926316
"1078333"	305.127858	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2K"	77.926316
"1114955"	611.262992	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2K+H"	78.933592
"1350126"	611.350607	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+DMSO+H"	79.021207
"1021044"	615.389776	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2ACN+H"	83.060376
"1538840"	616.383408	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+IsoProp+Na+H"	84.054008
"1003220"	308.198526	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+2ACN+2H"	84.067652
"1598816"	617.298028	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+K+HCOOH"	84.968628
"1423384"	647.329538	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+H+CF3COOH"	115.000138
"1161817"	328.711801	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+3ACN+2H"	125.094202
"1704318"	664.356085	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+NH4+CF3COOH"	132.026685
"1642157"	669.31148	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+Na+CF3COOH"	136.98208
"1583275"	685.28542	"C17713"	"dl-alpha-Tocopheryl sodium phosphate"	"C29H50NaO5P"	"532.3294"	"M+K+CF3COOH"	152.95602
"810361"	130.0994	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M"	0
"980613"	111.08101	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-H2O-H"	-19.01839
"67761"	85.7256573333333	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M-3H"	-3.021828
"509507"	129.092124	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M-3H"	-3.021828
"884030"	42.3591906666667	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-3H"	-3.021828
"3699"	129.092124	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M-2H"	-2.014552
"442167"	194.141824	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M-2H"	-2.014552
"823246"	64.042424	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-2H"	-2.014552
"86519"	259.191524	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M-H"	-1.007276
"528266"	389.290924	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M-H"	-1.007276
"900600"	129.092124	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-H"	-1.007276
"50601"	276.218071	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M-2H+NH4"	16.019271
"494534"	406.317471	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M-2H+NH4"	16.019271
"867963"	146.118671	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-2H+NH4"	16.019271
"33916"	281.173466	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M-2H+Na"	20.974666
"472140"	411.272866	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M-2H+Na"	20.974666
"849577"	151.074066	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-2H+Na"	20.974666
"1619107"	151.074066	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Na-2H"	20.974666
"95526"	147.080463	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M-H+Cl"	33.962126
"535083"	212.130163	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M-H+Cl"	33.962126
"930181"	82.030763	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-H+Cl"	33.962126
"272019"	295.168202	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+Cl"	34.969402
"675104"	425.267602	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+Cl"	34.969402
"1284501"	165.068802	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Cl"	34.969402
"28149"	297.147406	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M-2H+K"	36.948606
"465525"	427.246806	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M-2H+K"	36.948606
"842231"	167.048006	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-2H+K"	36.948606
"1563535"	167.048006	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+K-2H"	36.948606
"954333"	175.097594	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-H+HCOOH"	44.998194
"366352"	305.197001	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+HCOOH-H"	44.998201
"352057"	319.212651	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+Hac-H"	59.013851
"1495788"	189.113251	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Hac-H"	59.013851
"963330"	197.079551	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-H+NaCOOH"	66.980151
"116614"	165.068802	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+2Cl"	69.938804
"555078"	230.118502	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+2Cl"	69.938804
"1024242"	100.019102	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2Cl"	69.938804
"1245276"	209.018285	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Br"	78.918885
"1308092"	211.074272	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Cl+HCOOH"	80.974872
"1329969"	233.056229	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Cl+NaCOOH"	102.956829
"916654"	243.084986	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M-H+CF3COOH"	112.985586
"1295550"	279.061664	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Cl+CF3COOH"	148.962264
"1374803"	95.086724	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H-2H2O"	-35.012676
"1383187"	113.0967	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H-H2O"	-17.0027
"284335"	261.206076	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+H"	1.007276
"682224"	391.305476	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+H"	1.007276
"1365865"	131.106676	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H"	1.007276
"139849"	131.106676	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+2H"	2.014552
"580150"	196.156376	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+2H"	2.014552
"1052698"	66.056976	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2H"	2.014552
"218299"	87.7402093333333	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+3H"	3.021828
"659196"	131.106676	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+3H"	3.021828
"1177697"	44.3737426666667	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+3H"	3.021828
"436341"	278.232623	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+NH4"	18.033823
"799527"	408.332023	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+NH4"	18.033823
"1693667"	148.133223	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+NH4"	18.033823
"344134"	139.6199495	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+H+NH4"	19.041099
"738456"	204.6696495	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+H+NH4"	19.041099
"1492442"	74.5702495	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H+NH4"	19.041099
"400312"	283.188018	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+Na"	22.989218
"766776"	413.287418	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+Na"	22.989218
"1609407"	153.088618	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Na"	22.989218
"327100"	142.097647	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+H+Na"	23.996494
"719520"	207.147347	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+H+Na"	23.996494
"1470061"	77.047947	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H+Na"	23.996494
"1064399"	51.7010566666667	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2H+Na"	25.00377
"1264985"	163.132886	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+CH3OH+H"	33.033486
"385745"	299.161958	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+K"	38.963158
"741271"	429.261358	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+K"	38.963158
"1545512"	169.062558	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+K"	38.963158
"300139"	150.084617	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+H+K"	39.970434
"697299"	215.134317	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+H+K"	39.970434
"1454398"	85.034917	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H+K"	39.970434
"237531"	302.232626	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+ACN+H"	42.033826
"1210603"	172.133226	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+ACN+H"	42.033826
"1195222"	86.570251	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+ACN+2H"	43.041102
"191742"	305.16996	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+2Na-H"	44.97116
"634222"	435.26936	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+2Na-H"	44.97116
"1136634"	175.07056	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2Na-H"	44.97116
"181018"	153.088618	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+2Na"	45.978436
"620578"	218.138318	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+2Na"	45.978436
"1127365"	88.038918	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2Na"	45.978436
"1401779"	59.0283706666667	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H+2Na"	46.985712
"1436082"	177.112146	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H+HCOOH"	47.012746
"226143"	158.12164	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+3H2O+2H"	56.04448
"1518579"	191.16419	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+IsoProp+H"	61.06479
"414984"	161.075588	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+Na+K"	61.952376
"773427"	226.125288	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+Na+K"	61.952376
"1672314"	96.025888	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Na+K"	61.952376
"256643"	324.214568	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+ACN+Na"	64.015768
"1238105"	194.115168	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+ACN+Na"	64.015768
"1723347"	194.138693	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+NH4+HCOOH"	64.039293
"1184687"	66.3556846666667	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+3Na"	68.967654
"1654214"	199.094088	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Na+HCOOH"	68.994688
"162537"	337.11784	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+2K-H"	76.91904
"597193"	467.21724	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+2K-H"	76.91904
"1085518"	207.01844	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2K-H"	76.91904
"143792"	169.062558	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"2M+2K"	77.926316
"590650"	234.112258	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"3M+2K"	77.926316
"1076257"	104.012858	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2K"	77.926316
"1112383"	209.032992	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2K+H"	78.933592
"1350229"	209.120607	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+DMSO+H"	79.021207
"1019365"	213.159776	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2ACN+H"	83.060376
"1537978"	214.153408	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+IsoProp+Na+H"	84.054008
"1000049"	107.083526	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+2ACN+2H"	84.067652
"1601842"	215.068028	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+K+HCOOH"	84.968628
"1420214"	245.099538	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+H+CF3COOH"	115.000138
"1161806"	127.596801	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+3ACN+2H"	125.094202
"1704428"	262.126085	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+NH4+CF3COOH"	132.026685
"1642267"	267.08148	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+Na+CF3COOH"	136.98208
"1583385"	283.05542	"C17714"	"Heptanoic acid"	"C7H14O2"	"130.0994"	"M+K+CF3COOH"	152.95602
"810471"	186.162	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M"	0
"987284"	167.14361	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-H2O-H"	-19.01839
"73338"	123.100724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M-3H"	-3.021828
"510712"	185.154724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M-3H"	-3.021828
"886329"	61.046724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-3H"	-3.021828
"3081"	185.154724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M-2H"	-2.014552
"443734"	278.235724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M-2H"	-2.014552
"823358"	92.073724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-2H"	-2.014552
"85536"	371.316724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M-H"	-1.007276
"528376"	557.478724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M-H"	-1.007276
"898523"	185.154724	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-H"	-1.007276
"51804"	388.343271	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M-2H+NH4"	16.019271
"494644"	574.505271	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M-2H+NH4"	16.019271
"869165"	202.181271	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-2H+NH4"	16.019271
"33905"	393.298666	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M-2H+Na"	20.974666
"472615"	579.460666	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M-2H+Na"	20.974666
"849320"	207.136666	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-2H+Na"	20.974666
"1618976"	207.136666	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Na-2H"	20.974666
"97217"	203.143063	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M-H+Cl"	33.962126
"535074"	296.224063	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M-H+Cl"	33.962126
"928831"	110.062063	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-H+Cl"	33.962126
"272129"	407.293402	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+Cl"	34.969402
"675657"	593.455402	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+Cl"	34.969402
"1284611"	221.131402	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Cl"	34.969402
"24978"	409.272606	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M-2H+K"	36.948606
"467821"	595.434606	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M-2H+K"	36.948606
"843435"	223.110606	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-2H+K"	36.948606
"1561458"	223.110606	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+K-2H"	36.948606
"952620"	231.160194	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-H+HCOOH"	44.998194
"366462"	417.322201	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+HCOOH-H"	44.998201
"352531"	431.337851	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+Hac-H"	59.013851
"1495898"	245.175851	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Hac-H"	59.013851
"962708"	253.142151	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-H+NaCOOH"	66.980151
"112347"	221.131402	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+2Cl"	69.938804
"554458"	314.212402	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+2Cl"	69.938804
"1024350"	128.050402	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2Cl"	69.938804
"1249034"	265.080885	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Br"	78.918885
"1309295"	267.136872	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Cl+HCOOH"	80.974872
"1330079"	289.118829	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Cl+NaCOOH"	102.956829
"916764"	299.147586	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M-H+CF3COOH"	112.985586
"1292381"	335.124264	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Cl+CF3COOH"	148.962264
"1374913"	151.149324	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H-2H2O"	-35.012676
"1383659"	169.1593	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H-H2O"	-17.0027
"283594"	373.331276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+H"	1.007276
"682334"	559.493276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+H"	1.007276
"1365611"	187.169276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H"	1.007276
"141052"	187.169276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+2H"	2.014552
"581027"	280.250276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+2H"	2.014552
"1052456"	94.088276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2H"	2.014552
"217681"	125.115276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+3H"	3.021828
"658699"	187.169276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+3H"	3.021828
"1178474"	63.061276	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+3H"	3.021828
"436819"	390.357823	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+NH4"	18.033823
"799638"	576.519823	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+NH4"	18.033823
"1693777"	204.195823	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+NH4"	18.033823
"343150"	195.6825495	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+H+NH4"	19.041099
"736669"	288.7635495	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+H+NH4"	19.041099
"1492308"	102.6015495	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H+NH4"	19.041099
"404797"	395.313218	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+Na"	22.989218
"768348"	581.475218	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+Na"	22.989218
"1612797"	209.151218	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Na"	22.989218
"321741"	198.160247	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+H+Na"	23.996494
"719267"	291.241247	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+H+Na"	23.996494
"1469079"	105.079247	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H+Na"	23.996494
"1065968"	70.38859	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2H+Na"	25.00377
"1266190"	219.195486	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+CH3OH+H"	33.033486
"384763"	411.287158	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+K"	38.963158
"743570"	597.449158	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+K"	38.963158
"1544529"	225.125158	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+K"	38.963158
"300614"	206.147217	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+H+K"	39.970434
"697409"	299.228217	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+H+K"	39.970434
"1454508"	113.066217	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H+K"	39.970434
"235942"	414.357826	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+ACN+H"	42.033826
"1210142"	228.195826	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+ACN+H"	42.033826
"1195209"	114.601551	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+ACN+2H"	43.041102
"190761"	417.29516	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+2Na-H"	44.97116
"632143"	603.45716	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+2Na-H"	44.97116
"1136744"	231.13316	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2Na-H"	44.97116
"181128"	209.151218	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+2Na"	45.978436
"623969"	302.232218	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+2Na"	45.978436
"1126383"	116.070218	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2Na"	45.978436
"1406628"	77.715904	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H+2Na"	46.985712
"1440932"	233.174746	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H+HCOOH"	47.012746
"231720"	214.18424	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+3H2O+2H"	56.04448
"1520876"	247.22679	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+IsoProp+H"	61.06479
"418374"	217.138188	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+Na+K"	61.952376
"776090"	310.219188	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+Na+K"	61.952376
"1673878"	124.057188	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Na+K"	61.952376
"255660"	436.339768	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+ACN+Na"	64.015768
"1240037"	250.177768	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+ACN+Na"	64.015768
"1724914"	250.201293	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+NH4+HCOOH"	64.039293
"1184069"	85.043218	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+3Na"	68.967654
"1656876"	255.156688	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Na+HCOOH"	68.994688
"162647"	449.24304	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+2K-H"	76.91904
"599289"	635.40504	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+2K-H"	76.91904
"1088910"	263.08104	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2K-H"	76.91904
"142928"	225.125158	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"2M+2K"	77.926316
"584198"	318.206158	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"3M+2K"	77.926316
"1078553"	132.044158	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2K"	77.926316
"1112129"	265.095592	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2K+H"	78.933592
"1351170"	265.183207	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+DMSO+H"	79.021207
"1020447"	269.222376	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2ACN+H"	83.060376
"1539662"	270.216008	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+IsoProp+Na+H"	84.054008
"1004294"	135.114826	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+2ACN+2H"	84.067652
"1600132"	271.130628	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+K+HCOOH"	84.968628
"1424699"	301.162138	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+H+CF3COOH"	115.000138
"1162403"	155.628101	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+3ACN+2H"	125.094202
"1708913"	318.188685	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+NH4+CF3COOH"	132.026685
"1649304"	323.14408	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+Na+CF3COOH"	136.98208
"1583495"	339.11802	"C17715"	"Undecanoic acid;Hendecanoic acid"	"C11H22O2"	"186.162"	"M+K+CF3COOH"	152.95602
"810581"	242.1671	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M"	0
"987394"	223.14871	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-H2O-H"	-19.01839
"70168"	160.437457333333	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M-3H"	-3.021828
"513009"	241.159824	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M-3H"	-3.021828
"890813"	79.7150906666667	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-3H"	-3.021828
"3556"	241.159824	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M-2H"	-2.014552
"442750"	362.243374	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M-2H"	-2.014552
"823468"	120.076274	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-2H"	-2.014552
"83823"	483.326924	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M-H"	-1.007276
"525205"	725.494024	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M-H"	-1.007276
"897174"	241.159824	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-H"	-1.007276
"48997"	500.353471	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M-2H+NH4"	16.019271
"489650"	742.520571	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M-2H+NH4"	16.019271
"868181"	258.186371	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-2H+NH4"	16.019271
"32192"	505.308866	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M-2H+Na"	20.974666
"471753"	747.475966	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M-2H+Na"	20.974666
"849066"	263.141766	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-2H+Na"	20.974666
"1618964"	263.141766	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Na-2H"	20.974666
"97327"	259.148163	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M-H+Cl"	33.962126
"535062"	380.231713	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M-H+Cl"	33.962126
"928941"	138.064613	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-H+Cl"	33.962126
"268959"	519.303602	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+Cl"	34.969402
"673412"	761.470702	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+Cl"	34.969402
"1284721"	277.136502	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Cl"	34.969402
"19622"	521.282806	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M-2H+K"	36.948606
"466838"	763.449906	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M-2H+K"	36.948606
"842452"	279.115706	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-2H+K"	36.948606
"1560475"	279.115706	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+K-2H"	36.948606
"950544"	287.165294	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-H+HCOOH"	44.998194
"364386"	529.332401	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+HCOOH-H"	44.998201
"349362"	543.348051	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+Hac-H"	59.013851
"1494915"	301.180951	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Hac-H"	59.013851
"960631"	309.147251	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-H+NaCOOH"	66.980151
"111729"	277.136502	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+2Cl"	69.938804
"553475"	398.220052	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+2Cl"	69.938804
"1023730"	156.052952	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2Cl"	69.938804
"1249144"	321.085985	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Br"	78.918885
"1309405"	323.141972	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Cl+HCOOH"	80.974872
"1331282"	345.123929	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Cl+NaCOOH"	102.956829
"917967"	355.152686	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M-H+CF3COOH"	112.985586
"1295771"	391.129364	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Cl+CF3COOH"	148.962264
"1375023"	207.154424	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H-2H2O"	-35.012676
"1384135"	225.1644	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H-H2O"	-17.0027
"284068"	485.341476	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+H"	1.007276
"682444"	727.508576	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+H"	1.007276
"1365356"	243.174376	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H"	1.007276
"139339"	243.174376	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+2H"	2.014552
"581273"	364.257926	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+2H"	2.014552
"1052079"	122.090826	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2H"	2.014552
"219248"	162.452009333333	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+3H"	3.021828
"658443"	243.174376	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+3H"	3.021828
"1178155"	81.7296426666667	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+3H"	3.021828
"437657"	502.368023	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+NH4"	18.033823
"797561"	744.535123	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+NH4"	18.033823
"1690607"	260.200923	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+NH4"	18.033823
"342167"	251.6876495	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+H+NH4"	19.041099
"737748"	372.7711995	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+H+NH4"	19.041099
"1491688"	130.6040995	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H+NH4"	19.041099
"404907"	507.323418	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+Na"	22.989218
"765903"	749.490518	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+Na"	22.989218
"1612907"	265.156318	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Na"	22.989218
"321851"	254.165347	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+H+Na"	23.996494
"722173"	375.248897	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+H+Na"	23.996494
"1470282"	133.081797	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H+Na"	23.996494
"1063526"	89.0569566666667	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2H+Na"	25.00377
"1269216"	275.200586	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+CH3OH+H"	33.033486
"383781"	523.297358	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+K"	38.963158
"745868"	765.464458	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+K"	38.963158
"1542819"	281.130258	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+K"	38.963158
"300724"	262.152317	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+H+K"	39.970434
"698612"	383.235867	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+H+K"	39.970434
"1452429"	141.068767	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H+K"	39.970434
"236656"	526.368026	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+ACN+H"	42.033826
"1211187"	284.200926	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+ACN+H"	42.033826
"1194830"	142.604101	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+ACN+2H"	43.041102
"191962"	529.30536	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+2Na-H"	44.97116
"633711"	771.47246	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+2Na-H"	44.97116
"1137582"	287.13826	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2Na-H"	44.97116
"179779"	265.156318	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+2Na"	45.978436
"624079"	386.239868	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+2Na"	45.978436
"1126493"	144.072768	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2Na"	45.978436
"1408925"	96.3842706666667	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H+2Na"	46.985712
"1443228"	289.179846	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H+HCOOH"	47.012746
"228550"	270.18934	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+3H2O+2H"	56.04448
"1520988"	303.23189	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+IsoProp+H"	61.06479
"421766"	273.143288	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+Na+K"	61.952376
"776928"	394.226838	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+Na+K"	61.952376
"1673988"	152.059738	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Na+K"	61.952376
"260143"	548.349968	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+ACN+Na"	64.015768
"1233947"	306.182868	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+ACN+Na"	64.015768
"1722838"	306.206393	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+NH4+HCOOH"	64.039293
"1188190"	103.711584666667	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+3Na"	68.967654
"1654071"	311.161788	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Na+HCOOH"	68.994688
"163850"	561.25324	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+2K-H"	76.91904
"602679"	803.42034	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+2K-H"	76.91904
"1089020"	319.08614	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2K-H"	76.91904
"143769"	281.130258	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"2M+2K"	77.926316
"588682"	402.213808	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"3M+2K"	77.926316
"1078663"	160.046708	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2K"	77.926316
"1109687"	321.100692	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2K+H"	78.933592
"1350821"	321.188307	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+DMSO+H"	79.021207
"1020885"	325.227476	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2ACN+H"	83.060376
"1539057"	326.221108	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+IsoProp+Na+H"	84.054008
"1005464"	163.117376	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+2ACN+2H"	84.067652
"1602516"	327.135728	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+K+HCOOH"	84.968628
"1424809"	357.167238	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+H+CF3COOH"	115.000138
"1161784"	183.630651	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+3ACN+2H"	125.094202
"1709023"	374.193785	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+NH4+CF3COOH"	132.026685
"1649414"	379.14918	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+Na+CF3COOH"	136.98208
"1583605"	395.12312	"C17716"	"Dehydrofalcarinol"	"C17H22O"	"242.1671"	"M+K+CF3COOH"	152.95602
"810691"	140.0626	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M"	0
"984223"	121.04421	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-H2O-H"	-19.01839
"68091"	92.3677906666667	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M-3H"	-3.021828
"508745"	139.055324	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M-3H"	-3.021828
"885456"	45.6802573333333	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-3H"	-3.021828
"1844"	139.055324	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M-2H"	-2.014552
"442132"	209.086624	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M-2H"	-2.014552
"821391"	69.024024	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-2H"	-2.014552
"81382"	279.117924	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M-H"	-1.007276
"524221"	419.180524	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M-H"	-1.007276
"896309"	139.055324	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-H"	-1.007276
"47770"	296.144471	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M-2H+NH4"	16.019271
"488303"	436.207071	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M-2H+NH4"	16.019271
"865007"	156.081871	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-2H+NH4"	16.019271
"31813"	301.099866	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M-2H+Na"	20.974666
"471399"	441.162466	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M-2H+Na"	20.974666
"848850"	161.037266	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-2H+Na"	20.974666
"1618486"	161.037266	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Na-2H"	20.974666
"94515"	157.043663	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M-H+Cl"	33.962126
"534355"	227.074963	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M-H+Cl"	33.962126
"927592"	87.012363	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-H+Cl"	33.962126
"269797"	315.094602	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+Cl"	34.969402
"661487"	455.157202	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+Cl"	34.969402
"1276809"	175.032002	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Cl"	34.969402
"17541"	317.073806	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M-2H+K"	36.948606
"458928"	457.136406	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M-2H+K"	36.948606
"835633"	177.011206	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-2H+K"	36.948606
"1560585"	177.011206	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+K-2H"	36.948606
"947374"	185.060794	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-H+HCOOH"	44.998194
"361698"	325.123401	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+HCOOH-H"	44.998201
"346920"	339.139051	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+Hac-H"	59.013851
"1493566"	199.076451	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Hac-H"	59.013851
"960012"	207.042751	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-H+NaCOOH"	66.980151
"111475"	175.032002	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+2Cl"	69.938804
"552489"	245.063302	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+2Cl"	69.938804
"1024203"	105.000702	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2Cl"	69.938804
"1243786"	218.981485	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Br"	78.918885
"1308056"	221.037472	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Cl+HCOOH"	80.974872
"1331392"	243.019429	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Cl+NaCOOH"	102.956829
"918077"	253.048186	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M-H+CF3COOH"	112.985586
"1295881"	289.024864	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Cl+CF3COOH"	148.962264
"1375133"	105.049924	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H-2H2O"	-35.012676
"1386067"	123.0599	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H-H2O"	-17.0027
"282852"	281.132476	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+H"	1.007276
"681461"	421.195076	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+H"	1.007276
"1353435"	141.069876	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H"	1.007276
"136167"	141.069876	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+2H"	2.014552
"580471"	211.101176	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+2H"	2.014552
"1050364"	71.038576	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2H"	2.014552
"216442"	94.3823426666667	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+3H"	3.021828
"658190"	141.069876	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+3H"	3.021828
"1177043"	47.6948093333333	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+3H"	3.021828
"439678"	298.159023	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+NH4"	18.033823
"797671"	438.221623	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+NH4"	18.033823
"1688531"	158.096423	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+NH4"	18.033823
"340091"	149.5831495	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+H+NH4"	19.041099
"733604"	219.6144495	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+H+NH4"	19.041099
"1489610"	79.5518495	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H+NH4"	19.041099
"401737"	303.114418	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+Na"	22.989218
"766014"	443.177018	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+Na"	22.989218
"1611924"	163.051818	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Na"	22.989218
"316615"	152.060847	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+H+Na"	23.996494
"720098"	222.092147	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+H+Na"	23.996494
"1471484"	82.029547	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H+Na"	23.996494
"1062542"	55.0221233333333	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2H+Na"	25.00377
"1264220"	173.096086	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+CH3OH+H"	33.033486
"382795"	319.088358	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+K"	38.963158
"742696"	459.150958	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+K"	38.963158
"1545843"	179.025758	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+K"	38.963158
"309578"	160.047817	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+H+K"	39.970434
"699813"	230.079117	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+H+K"	39.970434
"1449258"	90.016517	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H+K"	39.970434
"235758"	322.159026	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+ACN+H"	42.033826
"1209997"	182.096426	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+ACN+H"	42.033826
"1194285"	91.551851	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+ACN+2H"	43.041102
"191709"	325.09636	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+2Na-H"	44.97116
"634915"	465.15896	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+2Na-H"	44.97116
"1139152"	185.03376	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2Na-H"	44.97116
"180618"	163.051818	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+2Na"	45.978436
"624189"	233.083118	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+2Na"	45.978436
"1127696"	93.020518	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2Na"	45.978436
"1410129"	62.3494373333333	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H+2Na"	46.985712
"1440058"	187.075346	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H+HCOOH"	47.012746
"230847"	168.08484	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+3H2O+2H"	56.04448
"1520005"	201.12739	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+IsoProp+H"	61.06479
"419690"	171.038788	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+Na+K"	61.952376
"776310"	241.070088	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+Na+K"	61.952376
"1673734"	101.007488	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Na+K"	61.952376
"261346"	344.140968	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+ACN+Na"	64.015768
"1228224"	204.078368	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+ACN+Na"	64.015768
"1722948"	204.101893	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+NH4+HCOOH"	64.039293
"1187207"	69.6767513333333	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+3Na"	68.967654
"1654181"	209.057288	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Na+HCOOH"	68.994688
"161771"	357.04424	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+2K-H"	76.91904
"599873"	497.10684	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+2K-H"	76.91904
"1090223"	216.98164	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2K-H"	76.91904
"143758"	179.025758	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"2M+2K"	77.926316
"588792"	249.057058	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"3M+2K"	77.926316
"1076587"	108.994458	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2K"	77.926316
"1109797"	218.996192	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2K+H"	78.933592
"1351093"	219.083807	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+DMSO+H"	79.021207
"1020789"	223.122976	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2ACN+H"	83.060376
"1539415"	224.116608	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+IsoProp+Na+H"	84.054008
"1005369"	112.065126	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+2ACN+2H"	84.067652
"1602678"	225.031228	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+K+HCOOH"	84.968628
"1424919"	255.062738	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+H+CF3COOH"	115.000138
"1162380"	132.578401	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+3ACN+2H"	125.094202
"1710226"	272.089285	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+NH4+CF3COOH"	132.026685
"1649524"	277.04468	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+Na+CF3COOH"	136.98208
"1583715"	293.01862	"C17717"	"5-Phenyl-13-pentadiyne"	"C11H8"	"140.0626"	"M+K+CF3COOH"	152.95602
"810801"	276.0419	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M"	0
"984333"	257.02351	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-H2O-H"	-19.01839
"68201"	183.020657333333	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M-3H"	-3.021828
"509948"	275.034624	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M-3H"	-3.021828
"885565"	91.0066906666667	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-3H"	-3.021828
"4141"	275.034624	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M-2H"	-2.014552
"443335"	413.055574	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M-2H"	-2.014552
"822594"	137.013674	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-2H"	-2.014552
"81855"	551.076524	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M-H"	-1.007276
"524695"	827.118424	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M-H"	-1.007276
"898123"	275.034624	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-H"	-1.007276
"49946"	568.103071	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M-2H+NH4"	16.019271
"490599"	844.144971	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M-2H+NH4"	16.019271
"867308"	292.061171	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-2H+NH4"	16.019271
"33020"	573.058466	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M-2H+Na"	20.974666
"471807"	849.100366	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M-2H+Na"	20.974666
"848674"	297.016566	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-2H+Na"	20.974666
"1619303"	297.016566	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Na-2H"	20.974666
"96449"	293.022963	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M-H+Cl"	33.962126
"534615"	431.043913	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M-H+Cl"	33.962126
"928795"	155.002013	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-H+Cl"	33.962126
"270633"	587.053202	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+Cl"	34.969402
"663419"	863.095102	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+Cl"	34.969402
"1275094"	311.011302	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Cl"	34.969402
"17286"	589.032406	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M-2H+K"	36.948606
"456846"	865.074306	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M-2H+K"	36.948606
"836470"	312.990506	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-2H+K"	36.948606
"1558136"	312.990506	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+K-2H"	36.948606
"946020"	321.040094	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-H+HCOOH"	44.998194
"363872"	597.082001	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+HCOOH-H"	44.998201
"347753"	611.097651	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+Hac-H"	59.013851
"1493669"	335.055751	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Hac-H"	59.013851
"959390"	343.022051	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-H+NaCOOH"	66.980151
"112309"	311.011302	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+2Cl"	69.938804
"552236"	449.032252	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+2Cl"	69.938804
"1021761"	172.990352	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2Cl"	69.938804
"1243529"	354.960785	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Br"	78.918885
"1307070"	357.016772	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Cl+HCOOH"	80.974872
"1326034"	378.998729	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Cl+NaCOOH"	102.956829
"919280"	389.027486	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M-H+CF3COOH"	112.985586
"1295991"	425.004164	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Cl+CF3COOH"	148.962264
"1373056"	241.029224	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H-2H2O"	-35.012676
"1391645"	259.0392	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H-H2O"	-17.0027
"284042"	553.091076	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+H"	1.007276
"679384"	829.132976	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+H"	1.007276
"1353179"	277.049176	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H"	1.007276
"128986"	277.049176	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+2H"	2.014552
"578757"	415.070126	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+2H"	2.014552
"1051811"	139.028226	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2H"	2.014552
"216917"	185.035209333333	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+3H"	3.021828
"656477"	277.049176	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+3H"	3.021828
"1177154"	93.0212426666667	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+3H"	3.021828
"439828"	570.117623	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+NH4"	18.033823
"800450"	846.159523	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+NH4"	18.033823
"1685361"	294.075723	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+NH4"	18.033823
"336920"	285.5624495	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+H+NH4"	19.041099
"729341"	423.5833995	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+H+NH4"	19.041099
"1486441"	147.5414995	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H+NH4"	19.041099
"402940"	575.073018	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+Na"	22.989218
"765030"	851.114918	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+Na"	22.989218
"1612034"	299.031118	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Na"	22.989218
"315022"	288.040147	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+H+Na"	23.996494
"718868"	426.061097	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+H+Na"	23.996494
"1471594"	150.019197	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H+Na"	23.996494
"1062652"	100.348556666667	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2H+Na"	25.00377
"1261411"	309.075386	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+CH3OH+H"	33.033486
"379624"	591.046958	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+K"	38.963158
"742075"	867.088858	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+K"	38.963158
"1544859"	315.005058	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+K"	38.963158
"302033"	296.027117	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+H+K"	39.970434
"696643"	434.048067	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+H+K"	39.970434
"1446451"	158.006167	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H+K"	39.970434
"235819"	594.117626	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+ACN+H"	42.033826
"1210435"	318.075726	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+ACN+H"	42.033826
"1194643"	159.541501	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+ACN+2H"	43.041102
"190725"	597.05496	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+2Na-H"	44.97116
"630285"	873.09686	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+2Na-H"	44.97116
"1135251"	321.01306	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2Na-H"	44.97116
"177082"	299.031118	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+2Na"	45.978436
"616279"	437.052068	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+2Na"	45.978436
"1119055"	161.010168	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2Na"	45.978436
"1400759"	107.675870666667	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H+2Na"	46.985712
"1432511"	323.054646	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H+HCOOH"	47.012746
"223303"	304.06414	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+3H2O+2H"	56.04448
"1512459"	337.10669	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+IsoProp+H"	61.06479
"410686"	307.018088	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+Na+K"	61.952376
"774230"	445.039038	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+Na+K"	61.952376
"1670562"	168.997138	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Na+K"	61.952376
"257081"	616.099568	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+ACN+Na"	64.015768
"1227241"	340.057668	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+ACN+Na"	64.015768
"1716497"	340.081193	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+NH4+HCOOH"	64.039293
"1182942"	115.003184666667	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+3Na"	68.967654
"1649996"	345.036588	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Na+HCOOH"	68.994688
"158722"	629.00284	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+2K-H"	76.91904
"597262"	905.04474	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+2K-H"	76.91904
"1084770"	352.96094	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2K-H"	76.91904
"141509"	315.005058	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"2M+2K"	77.926316
"585622"	453.026008	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"3M+2K"	77.926316
"1076697"	176.984108	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2K"	77.926316
"1109907"	354.975492	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2K+H"	78.933592
"1351252"	355.063107	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+DMSO+H"	79.021207
"1019076"	359.102276	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2ACN+H"	83.060376
"1539768"	360.095908	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+IsoProp+Na+H"	84.054008
"1005479"	180.054776	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+2ACN+2H"	84.067652
"1601555"	361.010528	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+K+HCOOH"	84.968628
"1425029"	391.042038	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+H+CF3COOH"	115.000138
"1162614"	200.568051	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+3ACN+2H"	125.094202
"1711429"	408.068585	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+NH4+CF3COOH"	132.026685
"1647082"	413.02398	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+Na+CF3COOH"	136.98208
"1583825"	428.99792	"C17718"	"Sulfamethoxazole sodium"	"C10H11N3O3SNa"	"276.0419"	"M+K+CF3COOH"	152.95602
"810911"	416.1139	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M"	0
"983350"	397.09551	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-H2O-H"	-19.01839
"67218"	276.401990666667	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M-3H"	-3.021828
"508965"	415.106624	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M-3H"	-3.021828
"883489"	137.697357333333	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-3H"	-3.021828
"1699"	415.106624	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M-2H"	-2.014552
"443081"	623.163574	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M-2H"	-2.014552
"823797"	207.049674	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-2H"	-2.014552
"80506"	831.220524	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M-H"	-1.007276
"526628"	1247.334424	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M-H"	-1.007276
"908803"	415.106624	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-H"	-1.007276
"57711"	848.247071	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M-2H+NH4"	16.019271
"497270"	1264.360971	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M-2H+NH4"	16.019271
"872886"	432.133171	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-2H+NH4"	16.019271
"40786"	853.202466	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M-2H+Na"	20.974666
"482534"	1269.316366	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M-2H+Na"	20.974666
"861428"	437.088566	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-2H+Na"	20.974666
"1621121"	437.088566	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Na-2H"	20.974666
"94978"	433.094963	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M-H+Cl"	33.962126
"535139"	641.151913	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M-H+Cl"	33.962126
"929269"	225.038013	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-H+Cl"	33.962126
"270380"	867.197202	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+Cl"	34.969402
"663530"	1283.311102	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+Cl"	34.969402
"1277391"	451.083302	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Cl"	34.969402
"16788"	869.176406	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M-2H+K"	36.948606
"457320"	1285.290306	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M-2H+K"	36.948606
"835851"	453.062506	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-2H+K"	36.948606
"1560802"	453.062506	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+K-2H"	36.948606
"951965"	461.112094	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-H+HCOOH"	44.998194
"366901"	877.226001	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+HCOOH-H"	44.998201
"348959"	891.241651	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+Hac-H"	59.013851
"1496336"	475.127751	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Hac-H"	59.013851
"960958"	483.094051	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-H+NaCOOH"	66.980151
"112054"	451.083302	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+2Cl"	69.938804
"553075"	659.140252	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+2Cl"	69.938804
"1024430"	243.026352	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2Cl"	69.938804
"1244736"	495.032785	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Br"	78.918885
"1307912"	497.088772	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Cl+HCOOH"	80.974872
"1328331"	519.070729	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Cl+NaCOOH"	102.956829
"918297"	529.099486	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M-H+CF3COOH"	112.985586
"1299379"	565.076164	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Cl+CF3COOH"	148.962264
"1372073"	381.101224	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H-2H2O"	-35.012676
"1388473"	399.1112	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H-H2O"	-17.0027
"284882"	833.235076	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+H"	1.007276
"679494"	1249.348976	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+H"	1.007276
"1355111"	417.121176	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H"	1.007276
"129825"	417.121176	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+2H"	2.014552
"579600"	625.178126	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+2H"	2.014552
"1050221"	209.064226	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2H"	2.014552
"216299"	278.416542666667	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+3H"	3.021828
"654400"	417.121176	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+3H"	3.021828
"1176171"	139.711909333333	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+3H"	3.021828
"439082"	850.261623	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+NH4"	18.033823
"800442"	1266.375523	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+NH4"	18.033823
"1688751"	434.147723	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+NH4"	18.033823
"338123"	425.6344495	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+H+NH4"	19.041099
"732731"	633.6913995	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+H+NH4"	19.041099
"1487644"	217.5774995	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H+NH4"	19.041099
"403050"	855.217018	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+Na"	22.989218
"765141"	1271.330918	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+Na"	22.989218
"1609957"	439.103118	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Na"	22.989218
"315618"	428.112147	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+H+Na"	23.996494
"713511"	636.169097	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+H+Na"	23.996494
"1468424"	220.055197	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H+Na"	23.996494
"1062762"	147.039223333333	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2H+Na"	25.00377
"1263343"	449.147386	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+CH3OH+H"	33.033486
"380827"	871.190958	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+K"	38.963158
"742913"	1287.304858	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+K"	38.963158
"1544968"	455.077058	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+K"	38.963158
"305424"	436.099117	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+H+K"	39.970434
"695659"	644.156067	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+H+K"	39.970434
"1449478"	228.042167	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H+K"	39.970434
"236379"	874.261626	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+ACN+H"	42.033826
"1210300"	458.147726	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+ACN+H"	42.033826
"1194791"	229.577501	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+ACN+2H"	43.041102
"189366"	877.19896	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+2Na-H"	44.97116
"631489"	1293.31286	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+2Na-H"	44.97116
"1134268"	461.08506	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2Na-H"	44.97116
"177192"	439.103118	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+2Na"	45.978436
"614566"	647.160068	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+2Na"	45.978436
"1118435"	231.046168	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2Na"	45.978436
"1403057"	154.366537333333	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H+2Na"	46.985712
"1433718"	463.126646	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H+HCOOH"	47.012746
"222679"	444.13614	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+3H2O+2H"	56.04448
"1510381"	477.17869	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+IsoProp+H"	61.06479
"411525"	447.090088	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+Na+K"	61.952376
"774341"	655.147038	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+Na+K"	61.952376
"1669944"	239.033138	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Na+K"	61.952376
"256098"	896.243568	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+ACN+Na"	64.015768
"1232087"	480.129668	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+ACN+Na"	64.015768
"1714534"	480.153193	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+NH4+HCOOH"	64.039293
"1180250"	161.693851333333	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+3Na"	68.967654
"1650748"	485.108588	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Na+HCOOH"	68.994688
"158704"	909.14684	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+2K-H"	76.91904
"601180"	1325.26074	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+2K-H"	76.91904
"1085326"	493.03294	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2K-H"	76.91904
"141781"	455.077058	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"2M+2K"	77.926316
"586096"	663.134008	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"3M+2K"	77.926316
"1076807"	247.020108	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2K"	77.926316
"1110017"	495.047492	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2K+H"	78.933592
"1349685"	495.135107	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+DMSO+H"	79.021207
"1019307"	499.174276	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2ACN+H"	83.060376
"1539871"	500.167908	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+IsoProp+Na+H"	84.054008
"1004492"	250.090776	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+2ACN+2H"	84.067652
"1600572"	501.082528	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+K+HCOOH"	84.968628
"1425139"	531.114038	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+H+CF3COOH"	115.000138
"1160896"	270.604051	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+3ACN+2H"	125.094202
"1711539"	548.140585	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+NH4+CF3COOH"	132.026685
"1649825"	553.09598	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+Na+CF3COOH"	136.98208
"1583935"	569.06992	"C17719"	"Tenitramine"	"C10H20N6O12"	"416.1139"	"M+K+CF3COOH"	152.95602
"811021"	288.1263	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M"	0
"982367"	269.10791	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-H2O-H"	-19.01839
"70607"	191.076924	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M-3H"	-3.021828
"511261"	287.119024	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M-3H"	-3.021828
"885784"	95.034824	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-3H"	-3.021828
"6546"	287.119024	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M-2H"	-2.014552
"443191"	431.182174	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M-2H"	-2.014552
"823907"	143.055874	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-2H"	-2.014552
"79888"	575.245324	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M-H"	-1.007276
"527831"	863.371624	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M-H"	-1.007276
"905633"	287.119024	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-H"	-1.007276
"53447"	592.271871	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M-2H+NH4"	16.019271
"494100"	880.398171	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M-2H+NH4"	16.019271
"874090"	304.145571	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-2H+NH4"	16.019271
"41990"	597.227266	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M-2H+Na"	20.974666
"484831"	885.353566	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M-2H+Na"	20.974666
"861538"	309.100966	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-2H+Na"	20.974666
"1620137"	309.100966	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Na-2H"	20.974666
"95210"	305.107363	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M-H+Cl"	33.962126
"536228"	449.170513	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M-H+Cl"	33.962126
"929015"	161.044213	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-H+Cl"	33.962126
"270855"	611.222002	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+Cl"	34.969402
"663640"	899.348302	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+Cl"	34.969402
"1276409"	323.095702	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Cl"	34.969402
"17506"	613.201206	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M-2H+K"	36.948606
"457430"	901.327506	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M-2H+K"	36.948606
"834869"	325.074906	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-2H+K"	36.948606
"1560912"	325.074906	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+K-2H"	36.948606
"952075"	333.124494	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-H+HCOOH"	44.998194
"367011"	621.250801	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+HCOOH-H"	44.998201
"349800"	635.266451	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+Hac-H"	59.013851
"1498633"	347.140151	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Hac-H"	59.013851
"959613"	355.106451	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-H+NaCOOH"	66.980151
"110341"	323.095702	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+2Cl"	69.938804
"551482"	467.158852	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+2Cl"	69.938804
"1023075"	179.032552	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2Cl"	69.938804
"1243380"	367.045185	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Br"	78.918885
"1305104"	369.101172	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Cl+HCOOH"	80.974872
"1327347"	391.083129	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Cl+NaCOOH"	102.956829
"918405"	401.111886	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M-H+CF3COOH"	112.985586
"1296207"	437.088564	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Cl+CF3COOH"	148.962264
"1372183"	253.113624	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H-2H2O"	-35.012676
"1383846"	271.1236	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H-H2O"	-17.0027
"283900"	577.259876	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+H"	1.007276
"680697"	865.386176	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+H"	1.007276
"1355950"	289.133576	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H"	1.007276
"132121"	289.133576	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+2H"	2.014552
"580072"	433.196726	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+2H"	2.014552
"1049598"	145.070426	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2H"	2.014552
"218232"	193.091476	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+3H"	3.021828
"659010"	289.133576	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+3H"	3.021828
"1176889"	97.049376	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+3H"	3.021828
"439843"	594.286423	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+NH4"	18.033823
"801160"	882.412723	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+NH4"	18.033823
"1687768"	306.160123	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+NH4"	18.033823
"336046"	297.6468495	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+H+NH4"	19.041099
"730653"	441.7099995	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+H+NH4"	19.041099
"1486661"	153.5836995	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H+NH4"	19.041099
"402067"	599.241818	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+Na"	22.989218
"767437"	887.368118	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+Na"	22.989218
"1611160"	311.115518	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Na"	22.989218
"316094"	300.124547	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+H+Na"	23.996494
"713621"	444.187697	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+H+Na"	23.996494
"1469627"	156.061397	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H+Na"	23.996494
"1062872"	104.37669	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2H+Na"	25.00377
"1263453"	321.159786	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+CH3OH+H"	33.033486
"379844"	615.215758	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+K"	38.963158
"741930"	903.342058	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+K"	38.963158
"1545078"	327.089458	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+K"	38.963158
"304440"	308.111517	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+H+K"	39.970434
"695769"	452.174667	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+H+K"	39.970434
"1449953"	164.048367	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H+K"	39.970434
"238193"	618.286426	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+ACN+H"	42.033826
"1210410"	330.160126	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+ACN+H"	42.033826
"1194780"	165.583701	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+ACN+2H"	43.041102
"190572"	621.22376	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+2Na-H"	44.97116
"633420"	909.35006	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+2Na-H"	44.97116
"1135835"	333.09746	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2Na-H"	44.97116
"178395"	311.115518	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+2Na"	45.978436
"618320"	455.178668	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+2Na"	45.978436
"1121462"	167.052368	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2Na"	45.978436
"1402439"	111.704004	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H+2Na"	46.985712
"1434551"	335.139046	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H+HCOOH"	47.012746
"222792"	316.14854	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+3H2O+2H"	56.04448
"1511585"	349.19109	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+IsoProp+H"	61.06479
"411997"	319.102488	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+Na+K"	61.952376
"778824"	463.165638	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+Na+K"	61.952376
"1672969"	175.039338	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Na+K"	61.952376
"257301"	640.268368	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+ACN+Na"	64.015768
"1233289"	352.142068	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+ACN+Na"	64.015768
"1715615"	352.165593	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+NH4+HCOOH"	64.039293
"1179144"	119.031318	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+3Na"	68.967654
"1653047"	357.120988	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Na+HCOOH"	68.994688
"158569"	653.17164	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+2K-H"	76.91904
"599467"	941.29794	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+2K-H"	76.91904
"1088354"	365.04534	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2K-H"	76.91904
"142616"	327.089458	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"2M+2K"	77.926316
"588028"	471.152608	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"3M+2K"	77.926316
"1076917"	183.026308	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2K"	77.926316
"1106847"	367.059892	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2K+H"	78.933592
"1350650"	367.147507	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+DMSO+H"	79.021207
"1020147"	371.186676	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2ACN+H"	83.060376
"1539618"	372.180308	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+IsoProp+Na+H"	84.054008
"1005211"	186.096976	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+2ACN+2H"	84.067652
"1601654"	373.094928	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+K+HCOOH"	84.968628
"1426342"	403.126438	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+H+CF3COOH"	115.000138
"1159913"	206.610251	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+3ACN+2H"	125.094202
"1709463"	420.152985	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+NH4+CF3COOH"	132.026685
"1649735"	425.10838	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+Na+CF3COOH"	136.98208
"1584045"	441.08232	"C17720"	"Difenpiramide"	"C19H16N2O"	"288.1263"	"M+K+CF3COOH"	152.95602
"811131"	70.0419	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M"	0
"982477"	51.02351	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-H2O-H"	-19.01839
"70719"	45.687324	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M-3H"	-3.021828
"506999"	69.034624	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M-3H"	-3.021828
"883709"	22.340024	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-3H"	-3.021828
"1554"	69.034624	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M-2H"	-2.014552
"442206"	104.055574	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M-2H"	-2.014552
"820737"	34.013674	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-2H"	-2.014552
"81455"	139.076524	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M-H"	-1.007276
"522474"	209.118424	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M-H"	-1.007276
"904650"	69.034624	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-H"	-1.007276
"56838"	156.103071	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M-2H+NH4"	16.019271
"496397"	226.144971	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M-2H+NH4"	16.019271
"874200"	86.061171	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-2H+NH4"	16.019271
"34812"	161.058466	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M-2H+Na"	20.974666
"471819"	231.100366	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M-2H+Na"	20.974666
"852172"	91.016566	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-2H+Na"	20.974666
"1621341"	91.016566	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Na-2H"	20.974666
"97143"	87.022963	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M-H+Cl"	33.962126
"536702"	122.043913	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M-H+Cl"	33.962126
"929854"	52.002013	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-H+Cl"	33.962126
"269506"	175.053202	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+Cl"	34.969402
"663751"	245.095102	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+Cl"	34.969402
"1276151"	105.011302	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Cl"	34.969402
"17252"	177.032406	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M-2H+K"	36.948606
"456164"	247.074306	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M-2H+K"	36.948606
"834247"	106.990506	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-2H+K"	36.948606
"1558834"	106.990506	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+K-2H"	36.948606
"946353"	115.040094	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-H+HCOOH"	44.998194
"368214"	185.082001	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+HCOOH-H"	44.998201
"349910"	199.097651	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+Hac-H"	59.013851
"1498743"	129.055751	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Hac-H"	59.013851
"959723"	137.022051	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-H+NaCOOH"	66.980151
"110816"	105.011302	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+2Cl"	69.938804
"551471"	140.032252	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+2Cl"	69.938804
"1021771"	69.990352	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2Cl"	69.938804
"1245317"	148.960785	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Br"	78.918885
"1309953"	151.016772	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Cl+HCOOH"	80.974872
"1324177"	172.998729	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Cl+NaCOOH"	102.956829
"917421"	183.027486	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M-H+CF3COOH"	112.985586
"1291214"	219.004164	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Cl+CF3COOH"	148.962264
"1372294"	35.029224	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H-2H2O"	-35.012676
"1383957"	53.0392	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H-H2O"	-17.0027
"284009"	141.091076	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+H"	1.007276
"677157"	211.132976	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+H"	1.007276
"1353140"	71.049176	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H"	1.007276
"132231"	71.049176	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+2H"	2.014552
"573979"	106.070126	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+2H"	2.014552
"1048249"	36.028226	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2H"	2.014552
"217613"	47.701876	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+3H"	3.021828
"659895"	71.049176	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+3H"	3.021828
"1177488"	24.354576	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+3H"	3.021828
"438937"	158.117623	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+NH4"	18.033823
"800297"	228.159523	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+NH4"	18.033823
"1686418"	88.075723	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+NH4"	18.033823
"335060"	79.5624495	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+H+NH4"	19.041099
"727482"	114.5833995	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+H+NH4"	19.041099
"1481304"	44.5414995	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H+NH4"	19.041099
"403270"	163.073018	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+Na"	22.989218
"764267"	233.114918	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+Na"	22.989218
"1613458"	93.031118	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Na"	22.989218
"316204"	82.040147	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+H+Na"	23.996494
"714824"	117.061097	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+H+Na"	23.996494
"1468644"	47.019197	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H+Na"	23.996494
"1058608"	31.68189	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2H+Na"	25.00377
"1261376"	103.075386	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+CH3OH+H"	33.033486
"384326"	179.046958	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+K"	38.963158
"743135"	249.088858	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+K"	38.963158
"1545186"	109.005058	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+K"	38.963158
"303456"	90.027117	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+H+K"	39.970434
"694786"	125.048067	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+H+K"	39.970434
"1450792"	55.006167	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H+K"	39.970434
"236846"	182.117626	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+ACN+H"	42.033826
"1210646"	112.075726	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+ACN+H"	42.033826
"1194686"	56.541501	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+ACN+2H"	43.041102
"191049"	185.05496	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+2Na-H"	44.97116
"631710"	255.09686	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+2Na-H"	44.97116
"1137768"	115.01306	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2Na-H"	44.97116
"178505"	93.031118	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+2Na"	45.978436
"618067"	128.052068	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+2Na"	45.978436
"1119749"	58.010168	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2Na"	45.978436
"1401821"	39.009204	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H+2Na"	46.985712
"1433932"	117.054646	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H+HCOOH"	47.012746
"222538"	98.06414	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+3H2O+2H"	56.04448
"1512423"	131.10669	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+IsoProp+H"	61.06479
"412472"	101.018088	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+Na+K"	61.952376
"776018"	136.039038	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+Na+K"	61.952376
"1673078"	65.997138	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Na+K"	61.952376
"258504"	204.099568	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+ACN+Na"	64.015768
"1230847"	134.057668	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+ACN+Na"	64.015768
"1714266"	134.081193	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+NH4+HCOOH"	64.039293
"1179618"	46.336518	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+3Na"	68.967654
"1653157"	139.036588	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Na+HCOOH"	68.994688
"157831"	217.00284	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+2K-H"	76.91904
"599578"	287.04474	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+2K-H"	76.91904
"1088100"	146.96094	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2K-H"	76.91904
"145281"	109.005058	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"2M+2K"	77.926316
"581455"	144.026008	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"3M+2K"	77.926316
"1068582"	73.984108	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2K"	77.926316
"1106957"	148.975492	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2K+H"	78.933592
"1350638"	149.063107	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+DMSO+H"	79.021207
"1020620"	153.102276	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2ACN+H"	83.060376
"1539489"	154.095908	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+IsoProp+Na+H"	84.054008
"1005079"	77.054776	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+2ACN+2H"	84.067652
"1600792"	155.010528	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+K+HCOOH"	84.968628
"1426452"	185.042038	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+H+CF3COOH"	115.000138
"1161116"	97.568051	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+3ACN+2H"	125.094202
"1710666"	202.068585	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+NH4+CF3COOH"	132.026685
"1649763"	207.02398	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+Na+CF3COOH"	136.98208
"1584155"	222.99792	"C17721"	"Vinyl ether"	"C4H6O"	"70.0419"	"M+K+CF3COOH"	152.95602
"811241"	302.0266	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M"	0
"980400"	283.00821	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-H2O-H"	-19.01839
"70829"	200.343790666667	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M-3H"	-3.021828
"507109"	301.019324	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M-3H"	-3.021828
"883819"	99.6682573333333	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-3H"	-3.021828
"1300"	301.019324	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M-2H"	-2.014552
"440493"	452.032624	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M-2H"	-2.014552
"820849"	150.006024	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-2H"	-2.014552
"82297"	603.045924	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M-H"	-1.007276
"524772"	905.072524	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M-H"	-1.007276
"905853"	301.019324	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-H"	-1.007276
"59135"	620.072471	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M-2H+NH4"	16.019271
"497602"	922.099071	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M-2H+NH4"	16.019271
"871030"	318.045871	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-2H+NH4"	16.019271
"36016"	625.027866	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M-2H+Na"	20.974666
"471969"	927.054466	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M-2H+Na"	20.974666
"848880"	323.001266	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-2H+Na"	20.974666
"1618900"	323.001266	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Na-2H"	20.974666
"96524"	319.007663	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M-H+Cl"	33.962126
"534340"	470.020963	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M-H+Cl"	33.962126
"928020"	167.994363	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-H+Cl"	33.962126
"268522"	639.022602	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+Cl"	34.969402
"663133"	941.049202	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+Cl"	34.969402
"1276992"	336.996002	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Cl"	34.969402
"17361"	641.001806	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M-2H+K"	36.948606
"456678"	943.028406	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M-2H+K"	36.948606
"833995"	338.975206	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-2H+K"	36.948606
"1556433"	338.975206	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+K-2H"	36.948606
"945735"	347.024794	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-H+HCOOH"	44.998194
"368324"	649.051401	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+HCOOH-H"	44.998201
"348927"	663.067051	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+Hac-H"	59.013851
"1498853"	361.040451	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Hac-H"	59.013851
"959835"	369.006751	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-H+NaCOOH"	66.980151
"112023"	336.996002	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+2Cl"	69.938804
"550855"	488.009302	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+2Cl"	69.938804
"1024757"	185.982702	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2Cl"	69.938804
"1247615"	380.945485	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Br"	78.918885
"1306783"	383.001472	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Cl+HCOOH"	80.974872
"1324287"	404.983429	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Cl+NaCOOH"	102.956829
"916438"	415.012186	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M-H+CF3COOH"	112.985586
"1290231"	450.988864	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Cl+CF3COOH"	148.962264
"1370218"	267.013924	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H-2H2O"	-35.012676
"1383095"	285.0239	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H-H2O"	-17.0027
"283753"	605.060476	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+H"	1.007276
"676006"	907.087076	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+H"	1.007276
"1352523"	303.033876	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H"	1.007276
"131248"	303.033876	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+2H"	2.014552
"572996"	454.047176	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+2H"	2.014552
"1047265"	152.020576	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2H"	2.014552
"215166"	202.358342666667	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+3H"	3.021828
"658372"	303.033876	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+3H"	3.021828
"1175040"	101.682809333333	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+3H"	3.021828
"438317"	622.087023	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+NH4"	18.033823
"800040"	924.113623	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+NH4"	18.033823
"1687985"	320.060423	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+NH4"	18.033823
"332984"	311.5471495	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+H+NH4"	19.041099
"727225"	462.5604495	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+H+NH4"	19.041099
"1480684"	160.5338495	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H+NH4"	19.041099
"400100"	627.042418	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+Na"	22.989218
"762190"	929.069018	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+Na"	22.989218
"1611381"	325.015818	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Na"	22.989218
"315949"	314.024847	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+H+Na"	23.996494
"714934"	465.038147	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+H+Na"	23.996494
"1467660"	163.011547	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H+Na"	23.996494
"1057625"	109.010123333333	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2H+Na"	25.00377
"1259301"	335.060086	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+CH3OH+H"	33.033486
"382248"	643.016358	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+K"	38.963158
"739965"	945.042958	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+K"	38.963158
"1545296"	340.989758	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+K"	38.963158
"304661"	322.011817	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+H+K"	39.970434
"693802"	473.025117	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+H+K"	39.970434
"1448715"	170.998517	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H+K"	39.970434
"236225"	646.087026	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+ACN+H"	42.033826
"1211120"	344.060426	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+ACN+H"	42.033826
"1195004"	172.533851	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+ACN+2H"	43.041102
"188845"	649.02436	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+2Na-H"	44.97116
"631812"	951.05096	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+2Na-H"	44.97116
"1135320"	346.99776	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2Na-H"	44.97116
"176424"	325.015818	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+2Na"	45.978436
"615988"	476.029118	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+2Na"	45.978436
"1121683"	174.002518	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2Na"	45.978436
"1400831"	116.337437333333	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H+2Na"	46.985712
"1433678"	349.039346	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H+HCOOH"	47.012746
"228112"	330.04884	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+3H2O+2H"	56.04448
"1510342"	363.09139	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+IsoProp+H"	61.06479
"414768"	333.002788	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+Na+K"	61.952376
"774668"	484.016088	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+Na+K"	61.952376
"1669177"	181.989488	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Na+K"	61.952376
"253873"	668.068968	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+ACN+Na"	64.015768
"1228404"	366.042368	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+ACN+Na"	64.015768
"1713232"	366.065893	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+NH4+HCOOH"	64.039293
"1178584"	123.664751333333	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+3Na"	68.967654
"1650056"	371.021288	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Na+HCOOH"	68.994688
"157443"	680.97224	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+2K-H"	76.91904
"597212"	982.99884	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+2K-H"	76.91904
"1084558"	378.94564	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2K-H"	76.91904
"143202"	340.989758	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"2M+2K"	77.926316
"581458"	492.003058	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"3M+2K"	77.926316
"1068727"	189.976458	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2K"	77.926316
"1108160"	380.960192	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2K+H"	78.933592
"1350828"	381.047807	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+DMSO+H"	79.021207
"1020690"	385.086976	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2ACN+H"	83.060376
"1539600"	386.080608	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+IsoProp+Na+H"	84.054008
"1005064"	193.047126	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+2ACN+2H"	84.067652
"1600538"	386.995228	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+K+HCOOH"	84.968628
"1427656"	417.026738	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+H+CF3COOH"	115.000138
"1161227"	213.560401	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+3ACN+2H"	125.094202
"1710776"	434.053285	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+NH4+CF3COOH"	132.026685
"1649792"	439.00868	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+Na+CF3COOH"	136.98208
"1584265"	454.98262	"C17722"	"Narcobarbital"	"C11H15BrN2O3"	"302.0266"	"M+K+CF3COOH"	152.95602
"811351"	236.1525	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M"	0
"984883"	217.13411	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-H2O-H"	-19.01839
"74220"	156.427724	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M-3H"	-3.021828
"509407"	235.145224	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M-3H"	-3.021828
"883929"	77.710224	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-3H"	-3.021828
"2504"	235.145224	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M-2H"	-2.014552
"444251"	353.221474	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M-2H"	-2.014552
"820960"	117.068974	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-2H"	-2.014552
"84230"	471.297724	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M-H"	-1.007276
"529257"	707.450224	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M-H"	-1.007276
"902683"	235.145224	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-H"	-1.007276
"55966"	488.324271	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M-2H+NH4"	16.019271
"495527"	724.476771	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M-2H+NH4"	16.019271
"871143"	252.171771	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-2H+NH4"	16.019271
"39043"	493.279666	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M-2H+Na"	20.974666
"477510"	729.432166	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M-2H+Na"	20.974666
"857500"	257.127166	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-2H+Na"	20.974666
"1621563"	257.127166	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Na-2H"	20.974666
"100645"	253.133563	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M-H+Cl"	33.962126
"538017"	371.209813	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M-H+Cl"	33.962126
"932263"	135.057313	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-H+Cl"	33.962126
"270822"	507.274402	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+Cl"	34.969402
"668712"	743.426902	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+Cl"	34.969402
"1277106"	271.121902	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Cl"	34.969402
"18570"	509.253606	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M-2H+K"	36.948606
"462141"	745.406106	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M-2H+K"	36.948606
"841036"	273.101106	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-2H+K"	36.948606
"1557598"	273.101106	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+K-2H"	36.948606
"949128"	281.150694	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-H+HCOOH"	44.998194
"370625"	517.303201	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+HCOOH-H"	44.998201
"353414"	531.318851	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+Hac-H"	59.013851
"1494592"	295.166351	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Hac-H"	59.013851
"958648"	303.132651	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-H+NaCOOH"	66.980151
"110109"	271.121902	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+2Cl"	69.938804
"550966"	389.198152	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+2Cl"	69.938804
"1024868"	153.045652	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2Cl"	69.938804
"1244447"	315.071385	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Br"	78.918885
"1311271"	317.127372	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Cl+HCOOH"	80.974872
"1321480"	339.109329	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Cl+NaCOOH"	102.956829
"915455"	349.138086	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M-H+CF3COOH"	112.985586
"1293258"	385.114764	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Cl+CF3COOH"	148.962264
"1373608"	201.139824	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H-2H2O"	-35.012676
"1383449"	219.1498	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H-H2O"	-17.0027
"283210"	473.312276	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+H"	1.007276
"677742"	709.464776	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+H"	1.007276
"1355185"	237.159776	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H"	1.007276
"132451"	237.159776	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+2H"	2.014552
"576385"	355.236026	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+2H"	2.014552
"1047375"	119.083526	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2H"	2.014552
"215276"	158.442276	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+3H"	3.021828
"658968"	237.159776	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+3H"	3.021828
"1177343"	79.724776	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+3H"	3.021828
"438551"	490.338823	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+NH4"	18.033823
"800642"	726.491323	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+NH4"	18.033823
"1694656"	254.186323	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+NH4"	18.033823
"342934"	245.6730495	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+H+NH4"	19.041099
"734260"	363.7492995	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+H+NH4"	19.041099
"1485892"	127.5967995	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H+NH4"	19.041099
"399114"	495.294218	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+Na"	22.989218
"759015"	731.446718	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+Na"	22.989218
"1608207"	259.141718	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Na"	22.989218
"316059"	248.150747	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+H+Na"	23.996494
"710666"	366.226997	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+H+Na"	23.996494
"1466675"	130.074497	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H+Na"	23.996494
"1058826"	87.05209	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2H+Na"	25.00377
"1258560"	269.185986	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+CH3OH+H"	33.033486
"381265"	511.268158	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+K"	38.963158
"745538"	747.420658	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+K"	38.963158
"1548685"	275.115658	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+K"	38.963158
"301487"	256.137717	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+H+K"	39.970434
"692817"	374.213967	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+H+K"	39.970434
"1448824"	138.061467	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H+K"	39.970434
"237428"	514.338826	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+ACN+H"	42.033826
"1211230"	278.186326	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+ACN+H"	42.033826
"1194496"	139.596801	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+ACN+2H"	43.041102
"188908"	517.27616	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+2Na-H"	44.97116
"628954"	753.42866	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+2Na-H"	44.97116
"1131526"	281.12366	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2Na-H"	44.97116
"173243"	259.141718	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+2Na"	45.978436
"616457"	377.217968	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+2Na"	45.978436
"1118504"	141.065468	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2Na"	45.978436
"1401305"	94.379404	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H+2Na"	46.985712
"1432696"	283.165246	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H+HCOOH"	47.012746
"227129"	264.17474	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+3H2O+2H"	56.04448
"1511544"	297.21729	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+IsoProp+H"	61.06479
"412689"	267.128688	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+Na+K"	61.952376
"774048"	385.204938	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+Na+K"	61.952376
"1671473"	149.052438	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Na+K"	61.952376
"256899"	536.320768	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+ACN+Na"	64.015768
"1230337"	300.168268	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+ACN+Na"	64.015768
"1718130"	300.191793	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+NH4+HCOOH"	64.039293
"1178521"	101.706718	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+3Na"	68.967654
"1650825"	305.147188	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Na+HCOOH"	68.994688
"157163"	549.22404	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+2K-H"	76.91904
"597203"	785.37654	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+2K-H"	76.91904
"1084261"	313.07154	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2K-H"	76.91904
"141485"	275.115658	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"2M+2K"	77.926316
"581983"	393.191908	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"3M+2K"	77.926316
"1068797"	157.039408	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2K"	77.926316
"1107177"	315.086092	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2K+H"	78.933592
"1342467"	315.173707	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+DMSO+H"	79.021207
"1017561"	319.212876	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2ACN+H"	83.060376
"1535689"	320.206508	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+IsoProp+Na+H"	84.054008
"1002135"	160.110076	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+2ACN+2H"	84.067652
"1601010"	321.121128	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+K+HCOOH"	84.968628
"1426673"	351.152638	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+H+CF3COOH"	115.000138
"1162430"	180.623351	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+3ACN+2H"	125.094202
"1711979"	368.179185	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+NH4+CF3COOH"	132.026685
"1636695"	373.13458	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+Na+CF3COOH"	136.98208
"1584375"	389.10852	"C17723"	"Metabutethamine"	"C13H20N2O2"	"236.1525"	"M+K+CF3COOH"	152.95602
"814013"	157.0739	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M"	0
"984993"	138.05551	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-H2O-H"	-19.01839
"71049"	103.708657333333	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M-3H"	-3.021828
"508424"	156.066624	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M-3H"	-3.021828
"886226"	51.3506906666667	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-3H"	-3.021828
"9175"	156.066624	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M-2H"	-2.014552
"447642"	234.603574	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M-2H"	-2.014552
"821067"	77.529674	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-2H"	-2.014552
"84338"	313.140524	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M-H"	-1.007276
"526085"	470.214424	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M-H"	-1.007276
"902792"	156.066624	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-H"	-1.007276
"55346"	330.167071	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M-2H+NH4"	16.019271
"496000"	487.240971	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M-2H+NH4"	16.019271
"870888"	173.093171	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-2H+NH4"	16.019271
"40246"	335.122466	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M-2H+Na"	20.974666
"476892"	492.196366	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M-2H+Na"	20.974666
"860890"	178.048566	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-2H+Na"	20.974666
"1623861"	178.048566	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Na-2H"	20.974666
"99297"	174.054963	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M-H+Cl"	33.962126
"542502"	252.591913	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M-H+Cl"	33.962126
"930186"	95.518013	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-H+Cl"	33.962126
"269838"	349.117202	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+Cl"	34.969402
"663718"	506.191102	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+Cl"	34.969402
"1276852"	192.043302	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Cl"	34.969402
"17586"	351.096406	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M-2H+K"	36.948606
"461158"	508.170306	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M-2H+K"	36.948606
"837866"	194.022506	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-2H+K"	36.948606
"1556980"	194.022506	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+K-2H"	36.948606
"948145"	202.072094	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-H+HCOOH"	44.998194
"367453"	359.146001	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+HCOOH-H"	44.998201
"353523"	373.161651	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+Hac-H"	59.013851
"1497982"	216.087751	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Hac-H"	59.013851
"961150"	224.054051	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-H+NaCOOH"	66.980151
"114432"	192.043302	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+2Cl"	69.938804
"552899"	270.580252	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+2Cl"	69.938804
"1026072"	113.506352	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2Cl"	69.938804
"1247837"	235.992785	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Br"	78.918885
"1313568"	238.048772	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Cl+HCOOH"	80.974872
"1320497"	260.030729	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Cl+NaCOOH"	102.956829
"915565"	270.059486	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M-H+CF3COOH"	112.985586
"1293368"	306.036164	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Cl+CF3COOH"	148.962264
"1369345"	122.061224	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H-2H2O"	-35.012676
"1386112"	140.0712	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H-H2O"	-17.0027
"283608"	315.155076	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+H"	1.007276
"677123"	472.228976	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+H"	1.007276
"1356388"	158.081176	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H"	1.007276
"131468"	158.081176	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+2H"	2.014552
"575402"	236.618126	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+2H"	2.014552
"1047483"	79.544226	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2H"	2.014552
"212106"	105.723209333333	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+3H"	3.021828
"658714"	158.081176	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+3H"	3.021828
"1177454"	53.3652426666667	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+3H"	3.021828
"439719"	332.181623	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+NH4"	18.033823
"801234"	489.255523	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+NH4"	18.033823
"1692579"	175.107723	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+NH4"	18.033823
"339763"	166.5944495	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+H+NH4"	19.041099
"733277"	245.1313995	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+H+NH4"	19.041099
"1484908"	88.0574995	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H+NH4"	19.041099
"400317"	337.137018	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+Na"	22.989218
"760218"	494.210918	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+Na"	22.989218
"1607224"	180.063118	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Na"	22.989218
"317262"	169.072147	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+H+Na"	23.996494
"708587"	247.609097	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+H+Na"	23.996494
"1465690"	90.535197	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H+Na"	23.996494
"1055653"	60.6925566666667	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2H+Na"	25.00377
"1260612"	190.107386	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+CH3OH+H"	33.033486
"380282"	353.110958	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+K"	38.963158
"746742"	510.184858	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+K"	38.963158
"1546609"	196.037058	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+K"	38.963158
"303784"	177.059117	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+H+K"	39.970434
"691832"	255.596067	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+H+K"	39.970434
"1448934"	98.522167	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H+K"	39.970434
"236120"	356.181626	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+ACN+H"	42.033826
"1211096"	199.107726	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+ACN+H"	42.033826
"1194975"	100.057501	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+ACN+2H"	43.041102
"189301"	359.11896	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+2Na-H"	44.97116
"629230"	516.19286	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+2Na-H"	44.97116
"1131885"	202.04506	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2Na-H"	44.97116
"173233"	180.063118	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+2Na"	45.978436
"615840"	258.600068	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+2Na"	45.978436
"1118616"	101.526168	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2Na"	45.978436
"1401051"	68.0198706666667	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H+2Na"	46.985712
"1436452"	204.086646	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H+HCOOH"	47.012746
"227239"	185.09614	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+3H2O+2H"	56.04448
"1517489"	218.13869	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+IsoProp+H"	61.06479
"412799"	188.050088	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+Na+K"	61.952376
"771241"	266.587038	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+Na+K"	61.952376
"1669761"	109.513138	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Na+K"	61.952376
"256645"	378.163568	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+ACN+Na"	64.015768
"1231540"	221.089668	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+ACN+Na"	64.015768
"1716417"	221.113193	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+NH4+HCOOH"	64.039293
"1180314"	75.3471846666667	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+3Na"	68.967654
"1650571"	226.068588	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Na+HCOOH"	68.994688
"157624"	391.06684	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+2K-H"	76.91904
"597322"	548.14074	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+2K-H"	76.91904
"1084328"	233.99294	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2K-H"	76.91904
"141594"	196.037058	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"2M+2K"	77.926316
"582853"	274.574008	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"3M+2K"	77.926316
"1068945"	117.500108	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2K"	77.926316
"1108380"	236.007492	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2K+H"	78.933592
"1349138"	236.095107	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+DMSO+H"	79.021207
"1014389"	240.134276	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2ACN+H"	83.060376
"1537621"	241.127908	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+IsoProp+Na+H"	84.054008
"1003703"	120.570776	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+2ACN+2H"	84.067652
"1597840"	242.042528	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+K+HCOOH"	84.968628
"1423501"	272.074038	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+H+CF3COOH"	115.000138
"1162504"	141.084051	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+3ACN+2H"	125.094202
"1711361"	289.100585	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+NH4+CF3COOH"	132.026685
"1635711"	294.05598	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+Na+CF3COOH"	136.98208
"1584485"	310.02992	"C17724"	"Ethadione"	"C7H11NO3"	"157.0739"	"M+K+CF3COOH"	152.95602
"816518"	250.1317	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M"	0
"978547"	231.11331	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-H2O-H"	-19.01839
"74441"	165.747190666667	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M-3H"	-3.021828
"515096"	249.124424	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M-3H"	-3.021828
"891803"	82.3699573333333	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-3H"	-3.021828
"14631"	249.124424	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M-2H"	-2.014552
"451032"	374.190274	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M-2H"	-2.014552
"825554"	124.058574	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-2H"	-2.014552
"86636"	499.256124	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M-H"	-1.007276
"525103"	749.387824	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M-H"	-1.007276
"904000"	249.124424	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-H"	-1.007276
"52541"	516.282671	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M-2H+NH4"	16.019271
"494653"	766.414371	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M-2H+NH4"	16.019271
"873550"	266.150971	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-2H+NH4"	16.019271
"42544"	521.238066	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M-2H+Na"	20.974666
"478825"	771.369766	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M-2H+Na"	20.974666
"851396"	271.106366	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-2H+Na"	20.974666
"1627254"	271.106366	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Na-2H"	20.974666
"100503"	267.112763	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M-H+Cl"	33.962126
"545529"	392.178613	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M-H+Cl"	33.962126
"930299"	142.046913	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-H+Cl"	33.962126
"271045"	535.232802	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+Cl"	34.969402
"662372"	785.364502	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+Cl"	34.969402
"1275868"	285.101102	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Cl"	34.969402
"18427"	537.212006	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M-2H+K"	36.948606
"463457"	787.343706	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M-2H+K"	36.948606
"842352"	287.080306	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-2H+K"	36.948606
"1565840"	287.080306	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+K-2H"	36.948606
"955545"	295.129894	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-H+HCOOH"	44.998194
"368657"	545.261601	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+HCOOH-H"	44.998201
"349259"	559.277251	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+Hac-H"	59.013851
"1494812"	309.145551	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Hac-H"	59.013851
"964541"	317.111851	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-H+NaCOOH"	66.980151
"115635"	285.101102	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+2Cl"	69.938804
"554103"	410.166952	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+2Cl"	69.938804
"1032743"	160.035252	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2Cl"	69.938804
"1247948"	329.050585	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Br"	78.918885
"1308208"	331.106572	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Cl+HCOOH"	80.974872
"1330085"	353.088529	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Cl+NaCOOH"	102.956829
"922236"	363.117286	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M-H+CF3COOH"	112.985586
"1293478"	399.093964	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Cl+CF3COOH"	148.962264
"1371642"	215.119024	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H-2H2O"	-35.012676
"1388044"	233.129	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H-H2O"	-17.0027
"284814"	501.270676	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+H"	1.007276
"676870"	751.402376	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+H"	1.007276
"1355770"	251.138976	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H"	1.007276
"131578"	251.138976	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+2H"	2.014552
"576605"	376.204826	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+2H"	2.014552
"1051973"	126.073126	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2H"	2.014552
"219471"	167.761742666667	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+3H"	3.021828
"659557"	251.138976	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+3H"	3.021828
"1177442"	84.3845093333333	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+3H"	3.021828
"439500"	518.297223	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+NH4"	18.033823
"800614"	768.428923	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+NH4"	18.033823
"1694511"	268.165523	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+NH4"	18.033823
"335501"	259.6522495	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+H+NH4"	19.041099
"729014"	384.7180995	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+H+NH4"	19.041099
"1479556"	134.5863995	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H+NH4"	19.041099
"400427"	523.252618	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+Na"	22.989218
"763611"	773.384318	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+Na"	22.989218
"1607336"	273.120918	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Na"	22.989218
"318467"	262.129947	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+H+Na"	23.996494
"714169"	387.195797	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+H+Na"	23.996494
"1463615"	137.064097	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H+Na"	23.996494
"1054306"	91.7118233333333	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2H+Na"	25.00377
"1262910"	283.165186	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+CH3OH+H"	33.033486
"383670"	539.226558	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+K"	38.963158
"744665"	789.358258	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+K"	38.963158
"1544168"	289.094858	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+K"	38.963158
"302073"	270.116917	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+H+K"	39.970434
"691942"	395.182767	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+H+K"	39.970434
"1446493"	145.051067	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H+K"	39.970434
"236308"	542.297226	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+ACN+H"	42.033826
"1210717"	292.165526	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+ACN+H"	42.033826
"1194230"	146.586401	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+ACN+2H"	43.041102
"188682"	545.23456	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+2Na-H"	44.97116
"629337"	795.36626	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+2Na-H"	44.97116
"1132598"	295.10286	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2Na-H"	44.97116
"174189"	273.120918	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+2Na"	45.978436
"613884"	398.186768	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+2Na"	45.978436
"1122012"	148.055068	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2Na"	45.978436
"1405540"	99.0391373333333	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H+2Na"	46.985712
"1437655"	297.144446	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H+HCOOH"	47.012746
"221881"	278.15394	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+3H2O+2H"	56.04448
"1513226"	311.19649	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+IsoProp+H"	61.06479
"410360"	281.107888	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+Na+K"	61.952376
"777188"	406.173738	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+Na+K"	61.952376
"1673519"	156.042038	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Na+K"	61.952376
"255664"	564.279168	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+ACN+Na"	64.015768
"1228735"	314.147468	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+ACN+Na"	64.015768
"1714341"	314.170993	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+NH4+HCOOH"	64.039293
"1178839"	106.366451333333	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+3Na"	68.967654
"1650228"	319.126388	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Na+HCOOH"	68.994688
"157659"	577.18244	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+2K-H"	76.91904
"597822"	827.31414	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+2K-H"	76.91904
"1084439"	327.05074	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2K-H"	76.91904
"141946"	289.094858	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"2M+2K"	77.926316
"581995"	414.160708	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"3M+2K"	77.926316
"1069542"	164.029008	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2K"	77.926316
"1110677"	329.065292	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2K+H"	78.933592
"1348159"	329.152907	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+DMSO+H"	79.021207
"1015592"	333.192076	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2ACN+H"	83.060376
"1538470"	334.185708	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+IsoProp+Na+H"	84.054008
"1003449"	167.099676	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+2ACN+2H"	84.067652
"1601961"	335.100328	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+K+HCOOH"	84.968628
"1421424"	365.131838	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+H+CF3COOH"	115.000138
"1161556"	187.612951	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+3ACN+2H"	125.094202
"1708919"	382.158385	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+NH4+CF3COOH"	132.026685
"1649674"	387.11378	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+Na+CF3COOH"	136.98208
"1584595"	403.08772	"C17725"	"Heptabarbital"	"C13H18N2O3"	"250.1317"	"M+K+CF3COOH"	152.95602
"805120"	408.2876	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M"	0
"984120"	389.26921	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"72363"	271.184457333333	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"507549"	407.280324	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"887539"	135.088590666667	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"8297"	407.280324	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"445671"	611.424124	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"822382"	203.136524	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"83098"	815.567924	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"523026"	1223.855524	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"902285"	407.280324	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"51556"	832.594471	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"493669"	1240.882071	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"872565"	424.306871	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"40465"	837.549866	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"475652"	1245.837466	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"850294"	429.262266	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1624812"	429.262266	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"96239"	425.268663	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"538350"	629.412463	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"930409"	221.124863	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"271155"	851.544602	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"665763"	1259.832202	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1278894"	443.257002	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"19630"	853.523806	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"465753"	1261.811406	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"842462"	445.236206	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1565950"	445.236206	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"954563"	453.285794	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"372048"	861.573401	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"353742"	875.589051	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1496015"	467.301451	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"969026"	475.267751	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"120119"	443.257002	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"560773"	647.400802	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1036133"	239.113202	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1251338"	487.206485	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1308319"	489.262472	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1330195"	511.244429	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"922346"	521.273186	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1293588"	557.249864	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1370658"	373.274924	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1384508"	391.2849	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"283950"	817.582476	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"678074"	1225.870076	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1357702"	409.294876	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"131688"	409.294876	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"576715"	613.438676	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1046610"	205.151076	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"219619"	273.199009333333	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"658692"	409.294876	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1177304"	137.103142666667	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"439240"	834.609023	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"800967"	1242.896623	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1692798"	426.321423	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"334518"	417.8081495	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"729123"	621.9519495	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1479667"	213.6643495	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"401630"	839.564418	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"762627"	1247.852018	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1607446"	431.276818	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"317482"	420.285847	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"709904"	624.429647	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1462385"	216.142047	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1054414"	144.430456666667	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1263016"	441.321086	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"382688"	855.538358	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"741494"	1263.825958	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1543913"	447.250758	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"300357"	428.272817	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"691563"	632.416617	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1446602"	224.129017	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"235968"	858.609026	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1210096"	450.321426	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1194827"	225.664351	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"189524"	861.54636	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"629447"	1269.83396	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1131617"	453.25876	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"173452"	431.276818	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"612901"	635.420618	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1121392"	227.133018	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1403090"	151.757770666667	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1434485"	455.300346	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"221385"	436.30984	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1511148"	469.35239	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"410834"	439.263788	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"775111"	643.407588	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1673629"	235.119988	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"255774"	880.590968	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1228116"	472.303368	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1714451"	472.326893	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1178990"	159.085084666667	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1650669"	477.282288	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"158130"	893.49424	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"597936"	1301.78184	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1085850"	485.20664	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"142545"	447.250758	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"582833"	651.394558	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1069532"	243.106958	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1110787"	487.221192	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1349972"	487.308807	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1015702"	491.347976	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1538942"	492.341608	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"1002465"	246.177626	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1602073"	493.256228	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1421534"	523.287738	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1161667"	266.690901	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1711945"	540.314285	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1649542"	545.26968	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1584705"	561.24362	"C17726"	"beta-Muricholate;beta-Muricholic acid;3alpha6beta7beta-Trihydroxy-5beta-cholan-24-oic acid;5beta-Cholanic acid-3alpha6beta7beta-triol"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"804137"	408.2876	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M"	0
"984230"	389.26921	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"72473"	271.184457333333	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"507659"	407.280324	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"887649"	135.088590666667	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"7314"	407.280324	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"445781"	611.424124	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"822490"	203.136524	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"82480"	815.567924	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"522042"	1223.855524	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"904218"	407.280324	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"53489"	832.594471	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"497060"	1240.882071	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"874862"	424.306871	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"42763"	837.549866	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"479043"	1245.837466	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"851377"	429.262266	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1627474"	429.262266	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"95741"	425.268663	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"540283"	629.412463	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"927357"	221.124863	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"269077"	851.544602	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"662592"	1259.832202	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1272765"	443.257002	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"18647"	853.523806	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"462583"	1261.811406	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"839292"	445.236206	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1562780"	445.236206	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"953943"	453.285794	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"369971"	861.573401	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"351665"	875.589051	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1496125"	467.301451	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"965856"	475.267751	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"113669"	443.257002	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"559790"	647.400802	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1029682"	239.113202	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1245981"	487.206485	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1311709"	489.262472	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1330305"	511.244429	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"919177"	521.273186	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1296979"	557.249864	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1368581"	373.274924	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1383890"	391.2849	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"283450"	817.582476	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"678184"	1225.870076	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1356719"	409.294876	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"131798"	409.294876	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"573545"	613.438676	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1042347"	205.151076	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"219607"	273.199009333333	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"658923"	409.294876	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1176321"	137.103142666667	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"438502"	834.609023	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"800103"	1242.896623	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1692908"	426.321423	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"335719"	417.8081495	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"724132"	621.9519495	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1477168"	213.6643495	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"400647"	839.564418	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"762738"	1247.852018	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1610837"	431.276818	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"316498"	420.285847	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"710015"	624.429647	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1462375"	216.142047	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1053065"	144.430456666667	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1258390"	441.321086	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"380611"	855.538358	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"740876"	1263.825958	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1540418"	447.250758	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"298888"	428.272817	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"691585"	632.416617	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1446348"	224.129017	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"238235"	858.609026	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1210160"	450.321426	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1194368"	225.664351	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"189024"	861.54636	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"628950"	1269.83396	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1131852"	453.25876	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"173076"	431.276818	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"612829"	635.420618	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1120409"	227.133018	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1402107"	151.757770666667	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1432043"	455.300346	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"221496"	436.30984	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1510529"	469.35239	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"410216"	439.263788	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"774127"	643.407588	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1670459"	235.119988	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"254789"	880.590968	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1226768"	472.303368	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1713831"	472.326893	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1178934"	159.085084666667	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1650779"	477.282288	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"157276"	893.49424	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"597478"	1301.78184	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1084749"	485.20664	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"141808"	447.250758	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"582335"	651.394558	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1068533"	243.106958	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1100297"	487.221192	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1350933"	487.308807	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1015812"	491.347976	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1538689"	492.341608	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"1004155"	246.177626	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1601940"	493.256228	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1422737"	523.287738	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1162588"	266.690901	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1712055"	540.314285	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1649165"	545.26968	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1584815"	561.24362	"C17727"	"omega-Muricholate;omega-Muricholic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"805340"	423.2158	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M"	0
"984340"	404.19741	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-H2O-H"	-19.01839
"72583"	281.136590666667	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M-3H"	-3.021828
"511050"	422.208524	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M-3H"	-3.021828
"883385"	140.064657333333	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-3H"	-3.021828
"7428"	422.208524	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M-2H"	-2.014552
"446986"	633.816424	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M-2H"	-2.014552
"819320"	210.600624	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-2H"	-2.014552
"83684"	845.424324	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M-H"	-1.007276
"524341"	1268.640124	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M-H"	-1.007276
"900684"	422.208524	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-H"	-1.007276
"57611"	862.450871	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M-2H+NH4"	16.019271
"497171"	1285.666671	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M-2H+NH4"	16.019271
"871691"	439.235071	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-2H+NH4"	16.019271
"42873"	867.406266	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M-2H+Na"	20.974666
"481340"	1290.622066	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M-2H+Na"	20.974666
"856954"	444.190466	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-2H+Na"	20.974666
"1627584"	444.190466	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Na-2H"	20.974666
"97553"	440.196863	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M-H+Cl"	33.962126
"541487"	651.804763	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M-H+Cl"	33.962126
"927711"	228.588963	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-H+Cl"	33.962126
"270282"	881.401002	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+Cl"	34.969402
"661974"	1304.616802	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+Cl"	34.969402
"1274376"	458.185202	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Cl"	34.969402
"20944"	883.380206	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M-2H+K"	36.948606
"463787"	1306.596006	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M-2H+K"	36.948606
"841589"	460.164406	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-2H+K"	36.948606
"1567995"	460.164406	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+K-2H"	36.948606
"951867"	468.213994	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-H+HCOOH"	44.998194
"373362"	891.429801	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+HCOOH-H"	44.998201
"351778"	905.445451	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+Hac-H"	59.013851
"1501703"	482.229651	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Hac-H"	59.013851
"963779"	490.195951	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-H+NaCOOH"	66.980151
"115965"	458.185202	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+2Cl"	69.938804
"561722"	669.793102	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+2Cl"	69.938804
"1028699"	246.577302	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2Cl"	69.938804
"1251558"	502.134685	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Br"	78.918885
"1316193"	504.190672	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Cl+HCOOH"	80.974872
"1332603"	526.172629	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Cl+NaCOOH"	102.956829
"921474"	536.201386	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M-H+CF3COOH"	112.985586
"1299276"	572.178064	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Cl+CF3COOH"	148.962264
"1369785"	388.203124	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H-2H2O"	-35.012676
"1382820"	406.2131	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H-H2O"	-17.0027
"283808"	847.438876	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+H"	1.007276
"677201"	1270.654676	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+H"	1.007276
"1356831"	424.223076	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H"	1.007276
"135192"	424.223076	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+2H"	2.014552
"579125"	635.830976	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+2H"	2.014552
"1052061"	212.615176	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2H"	2.014552
"218746"	283.151142666667	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+3H"	3.021828
"658674"	424.223076	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+3H"	3.021828
"1175701"	142.079209333333	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+3H"	3.021828
"439704"	864.465423	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+NH4"	18.033823
"796689"	1287.681223	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+NH4"	18.033823
"1693019"	441.249623	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+NH4"	18.033823
"336922"	432.7363495	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+H+NH4"	19.041099
"724361"	644.3442495	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+H+NH4"	19.041099
"1477694"	221.1284495	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H+NH4"	19.041099
"397478"	869.420818	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+Na"	22.989218
"763942"	1292.636618	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+Na"	22.989218
"1609854"	446.205018	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Na"	22.989218
"314355"	435.214047	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+H+Na"	23.996494
"708303"	646.821947	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+H+Na"	23.996494
"1462852"	223.606147	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H+Na"	23.996494
"1053177"	149.406523333333	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2H+Na"	25.00377
"1258866"	456.249286	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+CH3OH+H"	33.033486
"382908"	885.394758	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+K"	38.963158
"739203"	1308.610558	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+K"	38.963158
"1541948"	462.178958	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+K"	38.963158
"303132"	443.201017	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+H+K"	39.970434
"694098"	654.808917	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+H+K"	39.970434
"1447917"	231.593117	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H+K"	39.970434
"239439"	888.465426	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+ACN+H"	42.033826
"1210684"	465.249626	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+ACN+H"	42.033826
"1194603"	233.128451	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+ACN+2H"	43.041102
"189011"	891.40276	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+2Na-H"	44.97116
"628817"	1314.61856	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+2Na-H"	44.97116
"1132327"	468.18696	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2Na-H"	44.97116
"173470"	446.205018	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+2Na"	45.978436
"613727"	657.812918	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+2Na"	45.978436
"1119062"	234.597118	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2Na"	45.978436
"1400028"	156.733837333333	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H+2Na"	46.985712
"1431415"	470.228546	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H+HCOOH"	47.012746
"220748"	451.23804	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+3H2O+2H"	56.04448
"1511368"	484.28059	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+IsoProp+H"	61.06479
"409222"	454.191988	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+Na+K"	61.952376
"770295"	665.799888	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+Na+K"	61.952376
"1666665"	242.584088	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Na+K"	61.952376
"251808"	910.447368	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+ACN+Na"	64.015768
"1225773"	487.231568	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+ACN+Na"	64.015768
"1713931"	487.255093	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+NH4+HCOOH"	64.039293
"1179650"	164.061151333333	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+3Na"	68.967654
"1650188"	492.210488	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Na+HCOOH"	68.994688
"157255"	923.35064	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+2K-H"	76.91904
"597422"	1346.56644	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+2K-H"	76.91904
"1085580"	500.13484	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2K-H"	76.91904
"142396"	462.178958	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"2M+2K"	77.926316
"583048"	673.786858	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"3M+2K"	77.926316
"1069749"	250.571058	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2K"	77.926316
"1100529"	502.149392	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2K+H"	78.933592
"1349340"	502.237007	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+DMSO+H"	79.021207
"1017015"	506.276176	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2ACN+H"	83.060376
"1538184"	507.269808	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+IsoProp+Na+H"	84.054008
"1000498"	253.641726	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+2ACN+2H"	84.067652
"1599374"	508.184428	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+K+HCOOH"	84.968628
"1420658"	538.215938	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+H+CF3COOH"	115.000138
"1160429"	274.155001	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+3ACN+2H"	125.094202
"1709249"	555.242485	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+NH4+CF3COOH"	132.026685
"1648182"	560.19788	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+Na+CF3COOH"	136.98208
"1584925"	576.17182	"C17728"	"Idanpramine"	"C24H29N3O4"	"423.2158"	"M+K+CF3COOH"	152.95602
"807637"	302.1419	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M"	0
"984450"	283.12351	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-H2O-H"	-19.01839
"71600"	200.420657333333	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M-3H"	-3.021828
"510068"	301.134624	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M-3H"	-3.021828
"886775"	99.7066906666667	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-3H"	-3.021828
"3163"	301.134624	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M-2H"	-2.014552
"446002"	452.205574	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M-2H"	-2.014552
"822710"	150.063674	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-2H"	-2.014552
"81606"	603.276524	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M-H"	-1.007276
"522992"	905.418424	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M-H"	-1.007276
"898604"	301.134624	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-H"	-1.007276
"54440"	620.303071	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M-2H+NH4"	16.019271
"492178"	922.444971	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M-2H+NH4"	16.019271
"875081"	318.161171	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-2H+NH4"	16.019271
"39703"	625.258466	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M-2H+Na"	20.974666
"484730"	927.400366	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M-2H+Na"	20.974666
"855971"	323.116566	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-2H+Na"	20.974666
"1624414"	323.116566	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Na-2H"	20.974666
"96568"	319.122963	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M-H+Cl"	33.962126
"538317"	470.193913	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M-H+Cl"	33.962126
"928183"	168.052013	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-H+Cl"	33.962126
"267473"	639.253202	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+Cl"	34.969402
"661720"	941.395102	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+Cl"	34.969402
"1276309"	337.111302	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Cl"	34.969402
"17774"	641.232406	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M-2H+K"	36.948606
"459523"	943.374306	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M-2H+K"	36.948606
"839512"	339.090506	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-2H+K"	36.948606
"1569197"	339.090506	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+K-2H"	36.948606
"951977"	347.140094	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-H+HCOOH"	44.998194
"374201"	649.282001	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+HCOOH-H"	44.998201
"351888"	663.297651	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+Hac-H"	59.013851
"1504365"	361.155751	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Hac-H"	59.013851
"963889"	369.122051	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-H+NaCOOH"	66.980151
"118262"	337.111302	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+2Cl"	69.938804
"558915"	488.182252	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+2Cl"	69.938804
"1026622"	186.040352	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2Cl"	69.938804
"1254948"	381.060785	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Br"	78.918885
"1317396"	383.116772	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Cl+HCOOH"	80.974872
"1333079"	405.098729	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Cl+NaCOOH"	102.956829
"920491"	415.127486	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M-H+CF3COOH"	112.985586
"1298294"	451.104164	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Cl+CF3COOH"	148.962264
"1376453"	267.129224	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H-2H2O"	-35.012676
"1392857"	285.1392	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H-H2O"	-17.0027
"287076"	605.291076	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+H"	1.007276
"680590"	907.432976	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+H"	1.007276
"1356941"	303.149176	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H"	1.007276
"132018"	303.149176	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+2H"	2.014552
"570484"	454.220126	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+2H"	2.014552
"1052048"	152.078226	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2H"	2.014552
"212656"	202.435209333333	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+3H"	3.021828
"659515"	303.149176	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+3H"	3.021828
"1175447"	101.721242666667	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+3H"	3.021828
"436897"	622.317623	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+NH4"	18.033823
"796800"	924.459523	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+NH4"	18.033823
"1690943"	320.175723	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+NH4"	18.033823
"337032"	311.6624495	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+H+NH4"	19.041099
"730548"	462.7333995	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+H+NH4"	19.041099
"1483272"	160.5914995	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H+NH4"	19.041099
"394426"	627.273018	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+Na"	22.989218
"756397"	929.414918	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+Na"	22.989218
"1603031"	325.131118	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Na"	22.989218
"314772"	314.140147	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+H+Na"	23.996494
"707316"	465.211097	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+H+Na"	23.996494
"1462962"	163.069197	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H+Na"	23.996494
"1054257"	109.048556666667	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2H+Na"	25.00377
"1257882"	335.175386	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+CH3OH+H"	33.033486
"379008"	643.246958	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+K"	38.963158
"739517"	945.388858	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+K"	38.963158
"1540596"	341.105058	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+K"	38.963158
"304335"	322.127117	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+H+K"	39.970434
"692503"	473.198067	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+H+K"	39.970434
"1448756"	171.056167	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H+K"	39.970434
"236260"	646.317626	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+ACN+H"	42.033826
"1210550"	344.175726	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+ACN+H"	42.033826
"1195158"	172.591501	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+ACN+2H"	43.041102
"189732"	649.25496	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+2Na-H"	44.97116
"629901"	951.39686	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+2Na-H"	44.97116
"1134623"	347.11306	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2Na-H"	44.97116
"174632"	325.131118	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+2Na"	45.978436
"614316"	476.202068	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+2Na"	45.978436
"1119900"	174.060168	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2Na"	45.978436
"1399773"	116.375870666667	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H+2Na"	46.985712
"1431525"	349.154646	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H+HCOOH"	47.012746
"221950"	330.16414	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+3H2O+2H"	56.04448
"1510385"	363.20669	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+IsoProp+H"	61.06479
"409696"	333.118088	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+Na+K"	61.952376
"770448"	484.189038	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+Na+K"	61.952376
"1666410"	182.047138	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Na+K"	61.952376
"251721"	668.299568	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+ACN+Na"	64.015768
"1226614"	366.157668	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+ACN+Na"	64.015768
"1714523"	366.181193	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+NH4+HCOOH"	64.039293
"1179761"	123.703184666667	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+3Na"	68.967654
"1650182"	371.136588	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Na+HCOOH"	68.994688
"157444"	681.20284	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+2K-H"	76.91904
"598264"	983.34474	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+2K-H"	76.91904
"1084920"	379.06094	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2K-H"	76.91904
"142996"	341.105058	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"2M+2K"	77.926316
"582432"	492.176008	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"3M+2K"	77.926316
"1069982"	190.034108	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2K"	77.926316
"1100235"	381.075492	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2K+H"	78.933592
"1350788"	381.163107	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+DMSO+H"	79.021207
"1016032"	385.202276	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2ACN+H"	83.060376
"1538294"	386.195908	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+IsoProp+Na+H"	84.054008
"1001700"	193.104776	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+2ACN+2H"	84.067652
"1596204"	387.110528	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+K+HCOOH"	84.968628
"1420768"	417.142038	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+H+CF3COOH"	115.000138
"1160903"	213.618051	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+3ACN+2H"	125.094202
"1707174"	434.168585	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+NH4+CF3COOH"	132.026685
"1648292"	439.12398	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+Na+CF3COOH"	136.98208
"1585035"	455.09792	"C17729"	"Nicofetamide;N-(12-Diphenylethyl)nicotinamide"	"C20H18N2O"	"302.1419"	"M+K+CF3COOH"	152.95602
"805560"	169.1103	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M"	0
"983467"	150.09191	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-H2O-H"	-19.01839
"72803"	111.732924	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M-3H"	-3.021828
"514551"	168.103024	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M-3H"	-3.021828
"886886"	55.362824	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-3H"	-3.021828
"3274"	168.103024	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M-2H"	-2.014552
"446113"	252.658174	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M-2H"	-2.014552
"828288"	83.547874	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-2H"	-2.014552
"87187"	337.213324	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M-H"	-1.007276
"531123"	506.323624	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M-H"	-1.007276
"909897"	168.103024	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-H"	-1.007276
"51635"	354.239871	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M-2H+NH4"	16.019271
"494114"	523.350171	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M-2H+NH4"	16.019271
"875925"	185.129571	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-2H+NH4"	16.019271
"42003"	359.195266	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M-2H+Na"	20.974666
"484480"	528.305566	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M-2H+Na"	20.974666
"858272"	190.084966	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-2H+Na"	20.974666
"1632909"	190.084966	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Na-2H"	20.974666
"99960"	186.091363	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M-H+Cl"	33.962126
"543895"	270.646513	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M-H+Cl"	33.962126
"935223"	101.536213	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-H+Cl"	33.962126
"268676"	373.190002	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+Cl"	34.969402
"662923"	542.300302	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+Cl"	34.969402
"1276419"	204.079702	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Cl"	34.969402
"21164"	375.169206	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M-2H+K"	36.948606
"464007"	544.279506	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M-2H+K"	36.948606
"846913"	206.058906	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-2H+K"	36.948606
"1568580"	206.058906	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+K-2H"	36.948606
"953911"	214.108494	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-H+HCOOH"	44.998194
"373583"	383.218801	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+HCOOH-H"	44.998201
"353093"	397.234451	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+Hac-H"	59.013851
"1501926"	228.124151	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Hac-H"	59.013851
"969467"	236.090451	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-H+NaCOOH"	66.980151
"121654"	204.079702	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+2Cl"	69.938804
"564739"	288.634852	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+2Cl"	69.938804
"1036455"	119.524552	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2Cl"	69.938804
"1255305"	248.029185	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Br"	78.918885
"1316052"	250.085172	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Cl+HCOOH"	80.974872
"1333189"	272.067129	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Cl+NaCOOH"	102.956829
"924612"	282.095886	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M-H+CF3COOH"	112.985586
"1302050"	318.072564	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Cl+CF3COOH"	148.962264
"1382199"	134.097624	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H-2H2O"	-35.012676
"1396979"	152.1076	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H-H2O"	-17.0027
"292654"	339.227876	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+H"	1.007276
"685075"	508.338176	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+H"	1.007276
"1363612"	170.117576	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H"	1.007276
"138324"	170.117576	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+2H"	2.014552
"572784"	254.672726	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+2H"	2.014552
"1051796"	85.562426	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2H"	2.014552
"218966"	113.747476	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+3H"	3.021828
"659831"	170.117576	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+3H"	3.021828
"1178357"	57.377376	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+3H"	3.021828
"439805"	356.254423	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+NH4"	18.033823
"796910"	525.364723	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+NH4"	18.033823
"1689960"	187.144123	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+NH4"	18.033823
"340423"	178.6308495	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+H+NH4"	19.041099
"730657"	263.1859995	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+H+NH4"	19.041099
"1482291"	94.0756995	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H+NH4"	19.041099
"395145"	361.209818	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+Na"	22.989218
"756139"	530.320118	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+Na"	22.989218
"1604114"	192.099518	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Na"	22.989218
"315369"	181.108547	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+H+Na"	23.996494
"708399"	265.663697	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+H+Na"	23.996494
"1463434"	96.553397	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H+Na"	23.996494
"1054858"	64.70469	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2H+Na"	25.00377
"1262369"	202.143786	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+CH3OH+H"	33.033486
"383131"	377.183758	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+K"	38.963158
"743031"	546.294058	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+K"	38.963158
"1547272"	208.073458	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+K"	38.963158
"305907"	189.095517	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+H+K"	39.970434
"694319"	273.650667	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+H+K"	39.970434
"1450690"	104.540367	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H+K"	39.970434
"239296"	380.254426	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+ACN+H"	42.033826
"1217470"	211.144126	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+ACN+H"	42.033826
"1196127"	106.075701	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+ACN+2H"	43.041102
"189972"	383.19176	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+2Na-H"	44.97116
"631962"	552.30206	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+2Na-H"	44.97116
"1133280"	214.08146	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2Na-H"	44.97116
"174746"	192.099518	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+2Na"	45.978436
"615044"	276.654668	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+2Na"	45.978436
"1122564"	107.544368	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2Na"	45.978436
"1406089"	72.032004	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H+2Na"	46.985712
"1432734"	216.123046	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H+HCOOH"	47.012746
"222063"	197.13254	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+3H2O+2H"	56.04448
"1511952"	230.17509	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+IsoProp+H"	61.06479
"410901"	200.086488	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+Na+K"	61.952376
"772264"	284.641638	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+Na+K"	61.952376
"1667498"	115.531338	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Na+K"	61.952376
"252926"	402.236368	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+ACN+Na"	64.015768
"1227460"	233.126068	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+ACN+Na"	64.015768
"1714643"	233.149593	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+NH4+HCOOH"	64.039293
"1180972"	79.359318	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+3Na"	68.967654
"1651232"	238.104988	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Na+HCOOH"	68.994688
"157850"	415.13964	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+2K-H"	76.91904
"601666"	584.24994	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+2K-H"	76.91904
"1085316"	246.02934	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2K-H"	76.91904
"141895"	208.073458	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"2M+2K"	77.926316
"581779"	292.628608	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"3M+2K"	77.926316
"1069006"	123.518308	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2K"	77.926316
"1100999"	248.043892	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2K+H"	78.933592
"1335760"	248.131507	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+DMSO+H"	79.021207
"1006157"	252.170676	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2ACN+H"	83.060376
"1538404"	253.164308	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+IsoProp+Na+H"	84.054008
"1000716"	126.588976	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+2ACN+2H"	84.067652
"1594125"	254.078928	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+K+HCOOH"	84.968628
"1426344"	284.110438	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+H+CF3COOH"	115.000138
"1161014"	147.102251	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+3ACN+2H"	125.094202
"1706188"	301.136985	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+NH4+CF3COOH"	132.026685
"1646215"	306.09238	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+Na+CF3COOH"	136.98208
"1585145"	322.06632	"C17730"	"Piperidione;33-Diethyl-24-dioxopiperidine"	"C9H15NO2"	"169.1103"	"M+K+CF3COOH"	152.95602
"814421"	495.1478	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M"	0
"982487"	476.12941	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-H2O-H"	-19.01839
"72916"	329.091257333333	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M-3H"	-3.021828
"505915"	494.140524	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M-3H"	-3.021828
"882624"	164.041990666667	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-3H"	-3.021828
"11038"	494.140524	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M-2H"	-2.014552
"454972"	741.714424	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M-2H"	-2.014552
"829495"	246.566624	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-2H"	-2.014552
"91673"	989.288324	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M-H"	-1.007276
"533546"	1484.436124	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M-H"	-1.007276
"911311"	494.140524	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-H"	-1.007276
"62526"	1006.314871	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M-2H+NH4"	16.019271
"502246"	1501.462671	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M-2H+NH4"	16.019271
"876035"	511.167071	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-2H+NH4"	16.019271
"44302"	1011.270266	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M-2H+Na"	20.974666
"485685"	1506.418066	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M-2H+Na"	20.974666
"864194"	516.122466	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-2H+Na"	20.974666
"1633143"	516.122466	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Na-2H"	20.974666
"104446"	512.128863	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M-H+Cl"	33.962126
"547287"	759.702763	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M-H+Cl"	33.962126
"935335"	264.554963	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-H+Cl"	33.962126
"270612"	1025.265002	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+Cl"	34.969402
"670689"	1520.412802	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+Cl"	34.969402
"1284186"	530.117202	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Cl"	34.969402
"24556"	1027.244206	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M-2H+K"	36.948606
"468493"	1522.392006	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M-2H+K"	36.948606
"848118"	532.096406	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-2H+K"	36.948606
"1570515"	532.096406	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+K-2H"	36.948606
"956573"	540.145994	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-H+HCOOH"	44.998194
"377060"	1035.293801	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+HCOOH-H"	44.998201
"357577"	1049.309451	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+Hac-H"	59.013851
"1506775"	554.161651	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Hac-H"	59.013851
"971764"	562.127951	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-H+NaCOOH"	66.980151
"123224"	530.117202	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+2Cl"	69.938804
"563511"	777.691102	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+2Cl"	69.938804
"1035107"	282.543302	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2Cl"	69.938804
"1251890"	574.066685	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Br"	78.918885
"1314341"	576.122672	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Cl+HCOOH"	80.974872
"1332206"	598.104629	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Cl+NaCOOH"	102.956829
"925093"	608.133386	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M-H+CF3COOH"	112.985586
"1301068"	644.110064	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Cl+CF3COOH"	148.962264
"1381058"	460.135124	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H-2H2O"	-35.012676
"1396360"	478.1451	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H-H2O"	-17.0027
"293494"	991.302876	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+H"	1.007276
"688105"	1486.450676	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+H"	1.007276
"1364092"	496.155076	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H"	1.007276
"138798"	496.155076	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+2H"	2.014552
"572894"	743.728976	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+2H"	2.014552
"1051541"	248.581176	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2H"	2.014552
"219448"	331.105809333333	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+3H"	3.021828
"659372"	496.155076	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+3H"	3.021828
"1178402"	166.056542666667	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+3H"	3.021828
"430558"	1008.329423	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+NH4"	18.033823
"794470"	1503.477223	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+NH4"	18.033823
"1690072"	513.181623	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+NH4"	18.033823
"338349"	504.6683495	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+H+NH4"	19.041099
"727856"	752.2422495	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+H+NH4"	19.041099
"1480583"	257.0944495	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H+NH4"	19.041099
"398902"	1013.284818	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+Na"	22.989218
"760992"	1508.432618	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+Na"	22.989218
"1607997"	518.137018	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Na"	22.989218
"315849"	507.146047	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+H+Na"	23.996494
"707781"	754.719947	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+H+Na"	23.996494
"1463550"	259.572147	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H+Na"	23.996494
"1055698"	173.383856666667	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2H+Na"	25.00377
"1260658"	528.181286	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+CH3OH+H"	33.033486
"380688"	1029.258758	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+K"	38.963158
"739861"	1524.406558	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+K"	38.963158
"1543011"	534.110958	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+K"	38.963158
"302008"	515.133017	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+H+K"	39.970434
"695889"	762.706917	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+H+K"	39.970434
"1449710"	267.559117	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H+K"	39.970434
"240499"	1032.329426	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+ACN+H"	42.033826
"1215759"	537.181626	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+ACN+H"	42.033826
"1198184"	269.094451	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+ACN+2H"	43.041102
"190324"	1035.26676	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+2Na-H"	44.97116
"633168"	1530.41456	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+2Na-H"	44.97116
"1133391"	540.11896	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2Na-H"	44.97116
"175100"	518.137018	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+2Na"	45.978436
"616979"	765.710918	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+2Na"	45.978436
"1122674"	270.563118	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2Na"	45.978436
"1408385"	180.711170666667	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H+2Na"	46.985712
"1433944"	542.160546	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H+HCOOH"	47.012746
"224731"	523.17004	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+3H2O+2H"	56.04448
"1509513"	556.21259	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+IsoProp+H"	61.06479
"412845"	526.123988	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+Na+K"	61.952376
"773474"	773.697888	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+Na+K"	61.952376
"1669076"	278.550088	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Na+K"	61.952376
"257784"	1054.311368	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+ACN+Na"	64.015768
"1230492"	559.163568	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+ACN+Na"	64.015768
"1716097"	559.187093	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+NH4+HCOOH"	64.039293
"1181453"	188.038484666667	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+3Na"	68.967654
"1658635"	564.142488	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Na+HCOOH"	68.994688
"163308"	1067.21464	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+2K-H"	76.91904
"601047"	1562.36244	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+2K-H"	76.91904
"1091754"	572.06684	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2K-H"	76.91904
"146385"	534.110958	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"2M+2K"	77.926316
"587039"	781.684858	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"3M+2K"	77.926316
"1069483"	286.537058	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2K"	77.926316
"1101843"	574.081392	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2K+H"	78.933592
"1340062"	574.169007	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+DMSO+H"	79.021207
"1009681"	578.208176	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2ACN+H"	83.060376
"1533281"	579.201808	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+IsoProp+Na+H"	84.054008
"996452"	289.607726	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+2ACN+2H"	84.067652
"1593141"	580.116428	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+K+HCOOH"	84.968628
"1423173"	610.147938	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+H+CF3COOH"	115.000138
"1150183"	310.121001	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+3ACN+2H"	125.094202
"1706298"	627.174485	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+NH4+CF3COOH"	132.026685
"1646325"	632.12988	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+Na+CF3COOH"	136.98208
"1585255"	648.10382	"C17731"	"Sodium folinate"	"C20H22N7O7Na"	"495.1478"	"M+K+CF3COOH"	152.95602
"805780"	55.9749	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M"	0
"982593"	36.95651	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-H2O-H"	-19.01839
"73022"	36.309324	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M-3H"	-3.021828
"513677"	54.967624	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M-3H"	-3.021828
"880545"	17.651024	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-3H"	-3.021828
"11148"	54.967624	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M-2H"	-2.014552
"443053"	82.955074	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M-2H"	-2.014552
"825228"	26.980174	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-2H"	-2.014552
"87408"	110.942524	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M-H"	-1.007276
"531343"	166.917424	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M-H"	-1.007276
"901489"	54.967624	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-H"	-1.007276
"54770"	127.969071	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M-2H+NH4"	16.019271
"497612"	183.943971	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M-2H+NH4"	16.019271
"876509"	71.994171	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-2H+NH4"	16.019271
"43316"	132.924466	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M-2H+Na"	20.974666
"483240"	188.899366	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M-2H+Na"	20.974666
"857397"	76.949566	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-2H+Na"	20.974666
"1626931"	76.949566	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Na-2H"	20.974666
"104554"	72.955963	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M-H+Cl"	33.962126
"545208"	100.943413	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M-H+Cl"	33.962126
"929975"	44.968513	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-H+Cl"	33.962126
"269628"	146.919202	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+Cl"	34.969402
"660630"	202.894102	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+Cl"	34.969402
"1277734"	90.944302	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Cl"	34.969402
"19197"	148.898406	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M-2H+K"	36.948606
"464227"	204.873306	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M-2H+K"	36.948606
"842030"	92.923506	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-2H+K"	36.948606
"1568799"	92.923506	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+K-2H"	36.948606
"951213"	100.973094	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-H+HCOOH"	44.998194
"370522"	156.948001	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+HCOOH-H"	44.998201
"357685"	170.963651	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+Hac-H"	59.013851
"1499956"	114.988751	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Hac-H"	59.013851
"970051"	122.955051	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-H+NaCOOH"	66.980151
"119687"	90.944302	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+2Cl"	69.938804
"558152"	118.931752	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+2Cl"	69.938804
"1030235"	62.956852	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2Cl"	69.938804
"1250907"	134.893785	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Br"	78.918885
"1314451"	136.949772	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Cl+HCOOH"	80.974872
"1332316"	158.931729	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Cl+NaCOOH"	102.956829
"926295"	168.960486	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M-H+CF3COOH"	112.985586
"1301542"	204.937164	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Cl+CF3COOH"	148.962264
"1382019"	20.962224	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H-2H2O"	-35.012676
"1395376"	38.9722	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H-H2O"	-17.0027
"296156"	112.957076	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+H"	1.007276
"689676"	168.931976	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+H"	1.007276
"1363471"	56.982176	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H"	1.007276
"138180"	56.982176	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+2H"	2.014552
"573004"	84.969626	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+2H"	2.014552
"1048366"	28.994726	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2H"	2.014552
"219433"	38.323876	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+3H"	3.021828
"659480"	56.982176	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+3H"	3.021828
"1176509"	19.665576	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+3H"	3.021828
"435043"	129.983623	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+NH4"	18.033823
"796767"	185.958523	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+NH4"	18.033823
"1693098"	74.008723	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+NH4"	18.033823
"339552"	65.4954495	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+H+NH4"	19.041099
"728695"	93.4828995	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+H+NH4"	19.041099
"1481423"	37.5079995	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H+NH4"	19.041099
"399012"	134.939018	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+Na"	22.989218
"756727"	190.913918	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+Na"	22.989218
"1610295"	78.964118	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Na"	22.989218
"314621"	67.973147	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+H+Na"	23.996494
"707894"	95.960597	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+H+Na"	23.996494
"1467670"	39.985697	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H+Na"	23.996494
"1055813"	26.99289	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2H+Na"	25.00377
"1259678"	89.008386	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+CH3OH+H"	33.033486
"380435"	150.912958	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+K"	38.963158
"742161"	206.887858	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+K"	38.963158
"1544580"	94.938058	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+K"	38.963158
"303213"	75.960117	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+H+K"	39.970434
"694178"	103.947567	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+H+K"	39.970434
"1449091"	47.972667	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H+K"	39.970434
"236271"	153.983626	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+ACN+H"	42.033826
"1217694"	98.008726	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+ACN+H"	42.033826
"1195375"	49.508001	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+ACN+2H"	43.041102
"190431"	156.92096	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+2Na-H"	44.97116
"629995"	212.89586	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+2Na-H"	44.97116
"1134232"	100.94606	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2Na-H"	44.97116
"174966"	78.964118	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+2Na"	45.978436
"614779"	106.951568	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+2Na"	45.978436
"1120598"	50.976668	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2Na"	45.978436
"1405215"	34.320204	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H+2Na"	46.985712
"1431868"	102.987646	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H+HCOOH"	47.012746
"220029"	83.99714	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+3H2O+2H"	56.04448
"1508509"	117.03969	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+IsoProp+H"	61.06479
"412228"	86.951088	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+Na+K"	61.952376
"779057"	114.938538	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+Na+K"	61.952376
"1672106"	58.963638	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Na+K"	61.952376
"256802"	175.965568	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+ACN+Na"	64.015768
"1230241"	119.990668	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+ACN+Na"	64.015768
"1716938"	120.014193	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+NH4+HCOOH"	64.039293
"1183386"	41.647518	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+3Na"	68.967654
"1654371"	124.969588	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Na+HCOOH"	68.994688
"165607"	188.86884	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+2K-H"	76.91904
"607354"	244.84374	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+2K-H"	76.91904
"1095514"	132.89394	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2K-H"	76.91904
"146497"	94.938058	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"2M+2K"	77.926316
"586057"	122.925508	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"3M+2K"	77.926316
"1072026"	66.950608	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2K"	77.926316
"1100861"	134.908492	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2K+H"	78.933592
"1340172"	134.996107	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+DMSO+H"	79.021207
"1006753"	139.035276	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2ACN+H"	83.060376
"1533391"	140.028908	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+IsoProp+Na+H"	84.054008
"993646"	70.021276	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+2ACN+2H"	84.067652
"1594344"	140.943528	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+K+HCOOH"	84.968628
"1423283"	170.975038	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+H+CF3COOH"	115.000138
"1150658"	90.534551	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+3ACN+2H"	125.094202
"1700939"	188.001585	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+NH4+CF3COOH"	132.026685
"1644247"	192.95698	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+Na+CF3COOH"	136.98208
"1585365"	208.93092	"C17732"	"Magnesium peroxide"	"MgO2"	"55.9749"	"M+K+CF3COOH"	152.95602
"805890"	464.3502	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M"	0
"984893"	445.33181	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H2O-H"	-19.01839
"73133"	308.559524	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-3H"	-3.021828
"512696"	463.342924	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-3H"	-3.021828
"889402"	153.776124	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-3H"	-3.021828
"2511"	463.342924	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H"	-2.014552
"449725"	695.518024	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H"	-2.014552
"826433"	231.167824	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H"	-2.014552
"84238"	927.693124	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-H"	-1.007276
"527080"	1392.043324	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-H"	-1.007276
"907795"	463.342924	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H"	-1.007276
"54880"	944.719671	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H+NH4"	16.019271
"495534"	1409.069871	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H+NH4"	16.019271
"873336"	480.369471	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H+NH4"	16.019271
"41238"	949.675066	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H+Na"	20.974666
"480800"	1414.025266	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H+Na"	20.974666
"857507"	485.324866	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H+Na"	20.974666
"1627041"	485.324866	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na-2H"	20.974666
"103572"	481.331263	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-H+Cl"	33.962126
"546412"	713.506363	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-H+Cl"	33.962126
"928992"	249.156163	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+Cl"	33.962126
"269739"	963.669802	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Cl"	34.969402
"661796"	1428.020002	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+Cl"	34.969402
"1273713"	499.319602	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl"	34.969402
"16269"	965.649006	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H+K"	36.948606
"461056"	1429.999206	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H+K"	36.948606
"842140"	501.298806	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H+K"	36.948606
"1566722"	501.298806	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K-2H"	36.948606
"953510"	509.348394	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+HCOOH"	44.998194
"370632"	973.698601	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+HCOOH-H"	44.998201
"358891"	987.714251	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Hac-H"	59.013851
"1503346"	523.364051	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Hac-H"	59.013851
"970525"	531.330351	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+NaCOOH"	66.980151
"120889"	499.319602	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2Cl"	69.938804
"561541"	731.494702	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2Cl"	69.938804
"1030345"	267.144502	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2Cl"	69.938804
"1251017"	543.269085	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Br"	78.918885
"1313467"	545.325072	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl+HCOOH"	80.974872
"1335107"	567.307029	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl+NaCOOH"	102.956829
"926162"	577.335786	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+CF3COOH"	112.985586
"1303474"	613.312464	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl+CF3COOH"	148.962264
"1382002"	429.337524	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H-2H2O"	-35.012676
"1398163"	447.3475	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H-H2O"	-17.0027
"297362"	929.707676	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H"	1.007276
"689054"	1394.057876	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H"	1.007276
"1365036"	465.357476	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H"	1.007276
"136831"	465.357476	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2H"	2.014552
"570925"	697.532576	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2H"	2.014552
"1047383"	233.182376	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2H"	2.014552
"218081"	310.574076	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+3H"	3.021828
"655940"	465.357476	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+3H"	3.021828
"1172609"	155.790676	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+3H"	3.021828
"429685"	946.734223	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+NH4"	18.033823
"793961"	1411.084423	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+NH4"	18.033823
"1692844"	482.384023	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+NH4"	18.033823
"338571"	473.8707495	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H+NH4"	19.041099
"730994"	706.0458495	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H+NH4"	19.041099
"1487732"	241.6956495	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+NH4"	19.041099
"399122"	951.689618	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Na"	22.989218
"757930"	1416.039818	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+Na"	22.989218
"1606032"	487.339418	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na"	22.989218
"318258"	476.348447	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H+Na"	23.996494
"708492"	708.523547	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H+Na"	23.996494
"1467781"	244.173347	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+Na"	23.996494
"1057019"	163.11799	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2H+Na"	25.00377
"1261613"	497.383686	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+CH3OH+H"	33.033486
"379094"	967.663558	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+K"	38.963158
"740089"	1432.013758	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+K"	38.963158
"1542505"	503.313358	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K"	38.963158
"301504"	484.335417	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H+K"	39.970434
"697203"	716.510517	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H+K"	39.970434
"1452117"	252.160317	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+K"	39.970434
"236056"	970.734226	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+ACN+H"	42.033826
"1217802"	506.384026	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+ACN+H"	42.033826
"1196218"	253.695651	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+ACN+2H"	43.041102
"194557"	973.67156	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2Na-H"	44.97116
"630104"	1438.02176	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2Na-H"	44.97116
"1133609"	509.32136	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2Na-H"	44.97116
"173989"	487.339418	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2Na"	45.978436
"615254"	719.514518	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2Na"	45.978436
"1126176"	255.164318	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2Na"	45.978436
"1407514"	170.445304	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+2Na"	46.985712
"1430112"	511.362946	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+HCOOH"	47.012746
"220206"	492.37244	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+3H2O+2H"	56.04448
"1509239"	525.41499	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+IsoProp+H"	61.06479
"411610"	495.326388	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Na+K"	61.952376
"776979"	727.501488	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+Na+K"	61.952376
"1672216"	263.151288	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na+K"	61.952376
"255090"	992.716168	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+ACN+Na"	64.015768
"1232538"	528.365968	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+ACN+Na"	64.015768
"1722518"	528.389493	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+NH4+HCOOH"	64.039293
"1184591"	177.772618	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+3Na"	68.967654
"1655576"	533.344888	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na+HCOOH"	68.994688
"161345"	1005.61944	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2K-H"	76.91904
"603092"	1469.96964	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2K-H"	76.91904
"1095258"	541.26924	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2K-H"	76.91904
"143690"	503.313358	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2K"	77.926316
"588354"	735.488458	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2K"	77.926316
"1073960"	271.138258	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2K"	77.926316
"1104982"	543.283792	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2K+H"	78.933592
"1337730"	543.371407	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+DMSO+H"	79.021207
"1009903"	547.410576	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2ACN+H"	83.060376
"1530221"	548.404208	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+IsoProp+Na+H"	84.054008
"993392"	274.208926	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2ACN+2H"	84.067652
"1593361"	549.318828	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K+HCOOH"	84.968628
"1420112"	579.350338	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+CF3COOH"	115.000138
"1151497"	294.722201	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+3ACN+2H"	125.094202
"1698252"	596.376885	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+NH4+CF3COOH"	132.026685
"1637795"	601.33228	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na+CF3COOH"	136.98208
"1585475"	617.30622	"C17733"	"7-Oxateasterone;(22R23R24S)-3beta2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K+CF3COOH"	152.95602
"806000"	512.3502	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M"	0
"987188"	493.33181	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-H2O-H"	-19.01839
"73243"	340.559524	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M-3H"	-3.021828
"512805"	511.342924	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M-3H"	-3.021828
"887324"	169.776124	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-3H"	-3.021828
"3715"	511.342924	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M-2H"	-2.014552
"447650"	767.518024	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M-2H"	-2.014552
"826543"	255.167824	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-2H"	-2.014552
"82162"	1023.693124	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M-H"	-1.007276
"523909"	1536.043324	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M-H"	-1.007276
"904991"	511.342924	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-H"	-1.007276
"56084"	1040.719671	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M-2H+NH4"	16.019271
"496738"	1553.069871	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M-2H+NH4"	16.019271
"871259"	528.369471	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-2H+NH4"	16.019271
"40984"	1045.675066	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M-2H+Na"	20.974666
"479815"	1558.025266	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M-2H+Na"	20.974666
"857617"	533.324866	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-2H+Na"	20.974666
"1627151"	533.324866	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Na-2H"	20.974666
"102589"	529.331263	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M-H+Cl"	33.962126
"546158"	785.506363	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M-H+Cl"	33.962126
"928009"	273.156163	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-H+Cl"	33.962126
"269849"	1059.669802	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+Cl"	34.969402
"661784"	1572.020002	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+Cl"	34.969402
"1273944"	547.319602	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Cl"	34.969402
"18323"	1061.649006	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M-2H+K"	36.948606
"458979"	1573.999206	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M-2H+K"	36.948606
"840063"	549.298806	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-2H+K"	36.948606
"1564645"	549.298806	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+K-2H"	36.948606
"951433"	557.348394	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-H+HCOOH"	44.998194
"370741"	1069.698601	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+HCOOH-H"	44.998201
"354624"	1083.714251	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+Hac-H"	59.013851
"1503456"	571.364051	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Hac-H"	59.013851
"969542"	579.330351	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-H+NaCOOH"	66.980151
"118812"	547.319602	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+2Cl"	69.938804
"558371"	803.494702	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+2Cl"	69.938804
"1031548"	291.144502	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2Cl"	69.938804
"1251127"	591.269085	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Br"	78.918885
"1314670"	593.325072	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Cl+HCOOH"	80.974872
"1328892"	615.307029	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Cl+NaCOOH"	102.956829
"924324"	625.335786	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M-H+CF3COOH"	112.985586
"1301396"	661.312464	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Cl+CF3COOH"	148.962264
"1380289"	477.337524	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H-2H2O"	-35.012676
"1395960"	495.3475	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H-H2O"	-17.0027
"296376"	1025.707676	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+H"	1.007276
"689527"	1538.057876	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+H"	1.007276
"1365146"	513.357476	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H"	1.007276
"139128"	513.357476	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+2H"	2.014552
"572128"	769.532576	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+2H"	2.014552
"1048586"	257.182376	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2H"	2.014552
"217584"	342.574076	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+3H"	3.021828
"654955"	513.357476	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+3H"	3.021828
"1175878"	171.790676	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+3H"	3.021828
"431982"	1042.734223	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+NH4"	18.033823
"794071"	1555.084423	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+NH4"	18.033823
"1690402"	530.384023	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+NH4"	18.033823
"332849"	521.8707495	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+H+NH4"	19.041099
"730011"	778.0458495	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+H+NH4"	19.041099
"1484926"	265.6956495	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H+NH4"	19.041099
"399232"	1047.689618	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+Na"	22.989218
"763874"	1560.039818	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+Na"	22.989218
"1609421"	535.339418	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Na"	22.989218
"318368"	524.348447	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+H+Na"	23.996494
"715162"	780.523547	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+H+Na"	23.996494
"1470078"	268.173347	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H+Na"	23.996494
"1058952"	179.11799	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2H+Na"	25.00377
"1261723"	545.383686	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+CH3OH+H"	33.033486
"384669"	1063.663558	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+K"	38.963158
"741293"	1576.013758	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+K"	38.963158
"1544438"	551.313358	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+K"	38.963158
"302707"	532.335417	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+H+K"	39.970434
"696220"	788.510517	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+H+K"	39.970434
"1452228"	276.160317	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H+K"	39.970434
"235966"	1066.734226	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+ACN+H"	42.033826
"1210983"	554.384026	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+ACN+H"	42.033826
"1195231"	277.695651	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+ACN+2H"	43.041102
"191379"	1069.67156	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+2Na-H"	44.97116
"630214"	1582.02176	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+2Na-H"	44.97116
"1134088"	557.32136	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2Na-H"	44.97116
"175191"	535.339418	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+2Na"	45.978436
"614746"	791.514518	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+2Na"	45.978436
"1117411"	279.164318	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2Na"	45.978436
"1407990"	186.445304	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H+2Na"	46.985712
"1429935"	559.362946	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H+HCOOH"	47.012746
"220136"	540.37244	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+3H2O+2H"	56.04448
"1508743"	573.41499	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+IsoProp+H"	61.06479
"412813"	543.326388	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+Na+K"	61.952376
"775996"	799.501488	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+Na+K"	61.952376
"1671233"	287.151288	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Na+K"	61.952376
"254471"	1088.716168	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+ACN+Na"	64.015768
"1231554"	576.365968	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+ACN+Na"	64.015768
"1724815"	576.389493	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+NH4+HCOOH"	64.039293
"1185796"	193.772618	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+3Na"	68.967654
"1662248"	581.344888	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Na+HCOOH"	68.994688
"163642"	1101.61944	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+2K-H"	76.91904
"601015"	1613.96964	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+2K-H"	76.91904
"1088807"	589.26924	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2K-H"	76.91904
"142829"	551.313358	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"2M+2K"	77.926316
"587371"	807.488458	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"3M+2K"	77.926316
"1071883"	295.138258	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2K"	77.926316
"1105092"	591.283792	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2K+H"	78.933592
"1341485"	591.371407	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+DMSO+H"	79.021207
"1010377"	595.410576	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2ACN+H"	83.060376
"1527048"	596.404208	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+IsoProp+Na+H"	84.054008
"995686"	298.208926	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+2ACN+2H"	84.067652
"1594563"	597.318828	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+K+HCOOH"	84.968628
"1419128"	627.350338	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+H+CF3COOH"	115.000138
"1151607"	318.722201	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+3ACN+2H"	125.094202
"1699334"	644.376885	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+NH4+CF3COOH"	132.026685
"1637905"	649.33228	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+Na+CF3COOH"	136.98208
"1585585"	665.30622	"C17734"	"Acetoxolone;Acetylglycyrrhetinic acid"	"C32H48O5"	"512.3502"	"M+K+CF3COOH"	152.95602
"814861"	464.3502	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M"	0
"981833"	445.33181	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H2O-H"	-19.01839
"76635"	308.559524	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-3H"	-3.021828
"516194"	463.342924	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-3H"	-3.021828
"887436"	153.776124	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-3H"	-3.021828
"12571"	463.342924	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H"	-2.014552
"454198"	695.518024	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H"	-2.014552
"831757"	231.167824	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H"	-2.014552
"93897"	927.693124	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-H"	-1.007276
"533945"	1392.043324	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-H"	-1.007276
"910896"	463.342924	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H"	-1.007276
"62393"	944.719671	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H+NH4"	16.019271
"501224"	1409.069871	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H+NH4"	16.019271
"875379"	480.369471	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H+NH4"	16.019271
"46810"	949.675066	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H+Na"	20.974666
"484300"	1414.025266	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H+Na"	20.974666
"857727"	485.324866	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H+Na"	20.974666
"1628354"	485.324866	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na-2H"	20.974666
"97231"	481.331263	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-H+Cl"	33.962126
"537157"	713.506363	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-H+Cl"	33.962126
"929941"	249.156163	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+Cl"	33.962126
"268622"	963.669802	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Cl"	34.969402
"670036"	1428.020002	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+Cl"	34.969402
"1278065"	499.319602	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl"	34.969402
"24994"	965.649006	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M-2H+K"	36.948606
"461277"	1429.999206	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M-2H+K"	36.948606
"845276"	501.298806	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-2H+K"	36.948606
"1566942"	501.298806	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K-2H"	36.948606
"953730"	509.348394	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+HCOOH"	44.998194
"375226"	973.698601	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+HCOOH-H"	44.998201
"358014"	987.714251	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Hac-H"	59.013851
"1502472"	523.364051	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Hac-H"	59.013851
"970016"	531.330351	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+NaCOOH"	66.980151
"118922"	499.319602	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2Cl"	69.938804
"561761"	731.494702	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2Cl"	69.938804
"1028377"	267.144502	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2Cl"	69.938804
"1252330"	543.269085	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Br"	78.918885
"1314780"	545.325072	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl+HCOOH"	80.974872
"1335370"	567.307029	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl+NaCOOH"	102.956829
"926955"	577.335786	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M-H+CF3COOH"	112.985586
"1304139"	613.312464	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Cl+CF3COOH"	148.962264
"1382691"	429.337524	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H-2H2O"	-35.012676
"1396802"	447.3475	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H-H2O"	-17.0027
"296852"	929.707676	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H"	1.007276
"690371"	1394.057876	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H"	1.007276
"1365988"	465.357476	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H"	1.007276
"139242"	465.357476	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2H"	2.014552
"571145"	697.532576	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2H"	2.014552
"1044321"	233.182376	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2H"	2.014552
"215872"	310.574076	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+3H"	3.021828
"656526"	465.357476	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+3H"	3.021828
"1177204"	155.790676	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+3H"	3.021828
"436467"	946.734223	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+NH4"	18.033823
"798556"	1411.084423	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+NH4"	18.033823
"1693428"	482.384023	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+NH4"	18.033823
"337698"	473.8707495	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H+NH4"	19.041099
"726109"	706.0458495	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H+NH4"	19.041099
"1486125"	241.6956495	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+NH4"	19.041099
"394967"	951.689618	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Na"	22.989218
"757420"	1416.039818	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+Na"	22.989218
"1608436"	487.339418	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na"	22.989218
"319570"	476.348447	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H+Na"	23.996494
"716366"	708.523547	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H+Na"	23.996494
"1474562"	244.173347	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+Na"	23.996494
"1066351"	163.11799	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2H+Na"	25.00377
"1268393"	497.383686	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+CH3OH+H"	33.033486
"385874"	967.663558	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+K"	38.963158
"749057"	1432.013758	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+K"	38.963158
"1546735"	503.313358	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K"	38.963158
"305004"	484.335417	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+H+K"	39.970434
"697424"	716.510517	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+H+K"	39.970434
"1451244"	252.160317	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+K"	39.970434
"236200"	970.734226	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+ACN+H"	42.033826
"1212190"	506.384026	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+ACN+H"	42.033826
"1196073"	253.695651	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+ACN+2H"	43.041102
"190766"	973.67156	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2Na-H"	44.97116
"629962"	1438.02176	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2Na-H"	44.97116
"1136021"	509.32136	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2Na-H"	44.97116
"175663"	487.339418	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2Na"	45.978436
"615222"	719.514518	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2Na"	45.978436
"1117036"	255.164318	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2Na"	45.978436
"1409923"	170.445304	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+2Na"	46.985712
"1432198"	511.362946	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+HCOOH"	47.012746
"220116"	492.37244	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+3H2O+2H"	56.04448
"1512142"	525.41499	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+IsoProp+H"	61.06479
"417297"	495.326388	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+Na+K"	61.952376
"777199"	727.501488	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+Na+K"	61.952376
"1672436"	263.151288	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na+K"	61.952376
"257861"	992.716168	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+ACN+Na"	64.015768
"1232757"	528.365968	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+ACN+Na"	64.015768
"1724925"	528.389493	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+NH4+HCOOH"	64.039293
"1193441"	177.772618	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+3Na"	68.967654
"1664668"	533.344888	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na+HCOOH"	68.994688
"167032"	1005.61944	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2K-H"	76.91904
"603311"	1469.96964	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2K-H"	76.91904
"1092198"	541.26924	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2K-H"	76.91904
"145734"	503.313358	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"2M+2K"	77.926316
"585296"	735.488458	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"3M+2K"	77.926316
"1074182"	271.138258	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2K"	77.926316
"1104108"	543.283792	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2K+H"	78.933592
"1344878"	543.371407	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+DMSO+H"	79.021207
"1013407"	547.410576	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2ACN+H"	83.060376
"1532630"	548.404208	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+IsoProp+Na+H"	84.054008
"995797"	274.208926	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+2ACN+2H"	84.067652
"1595766"	549.318828	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K+HCOOH"	84.968628
"1419242"	579.350338	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+H+CF3COOH"	115.000138
"1159374"	294.722201	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+3ACN+2H"	125.094202
"1703458"	596.376885	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+NH4+CF3COOH"	132.026685
"1643484"	601.33228	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+Na+CF3COOH"	136.98208
"1585695"	617.30622	"C17735"	"7-Oxatyphasterol;(22R23R24S)-3alpha2223-Trihydroxy-7-oxa-5alpha-ergostane-6-one"	"C28H48O5"	"464.3502"	"M+K+CF3COOH"	152.95602
"806220"	408.2876	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M"	0
"979753"	389.26921	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"67995"	271.184457333333	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"507555"	407.280324	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"884264"	135.088590666667	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"10493"	407.280324	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"447867"	611.424124	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"832072"	203.136524	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"88943"	815.567924	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"533006"	1223.855524	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"907399"	407.280324	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"61979"	832.594471	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"502309"	1240.882071	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"878895"	424.306871	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"46675"	837.549866	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"486236"	1245.837466	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"862212"	429.262266	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1633447"	429.262266	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"101716"	425.268663	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"547836"	629.412463	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"934791"	221.124863	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"271889"	851.544602	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"667959"	1259.832202	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1280362"	443.257002	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"22918"	853.523806	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"464668"	1261.811406	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"842470"	445.236206	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1565958"	445.236206	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"956027"	453.285794	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"376308"	861.573401	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"355936"	875.589051	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1500396"	467.301451	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"971219"	475.267751	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"117939"	443.257002	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"558592"	647.400802	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1028487"	239.113202	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1254629"	487.206485	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1314892"	489.262472	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1334951"	511.244429	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"926779"	521.273186	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1302345"	557.249864	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1382457"	373.274924	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1398011"	391.2849	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"296600"	817.582476	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"689017"	1225.870076	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1364272"	409.294876	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"138984"	409.294876	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"574536"	613.438676	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1044429"	205.151076	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"213423"	273.199009333333	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"656269"	409.294876	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1174396"	137.103142666667	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"433294"	834.609023	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"798664"	1242.896623	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1694632"	426.321423	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"337808"	417.8081495	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"725855"	621.9519495	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1486235"	213.6643495	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"399452"	839.564418	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"762633"	1247.852018	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1607453"	431.276818	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"320773"	420.285847	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"716476"	624.429647	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1474672"	216.142047	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1064638"	144.430456666667	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1269596"	441.321086	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"389264"	855.538358	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"749167"	1263.825958	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1545749"	447.250758	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"306206"	428.272817	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"698627"	632.416617	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1452447"	224.129017	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"237769"	858.609026	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1213393"	450.321426	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1196306"	225.664351	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"191241"	861.54636	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"632262"	1269.83396	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1137954"	453.25876	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"176867"	431.276818	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"617156"	635.420618	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1119941"	227.133018	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1403467"	151.757770666667	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1437773"	455.300346	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"223095"	436.30984	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1511158"	469.35239	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"413030"	439.263788	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"775121"	643.407588	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1672546"	235.119988	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"261251"	880.590968	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1236147"	472.303368	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1726494"	472.326893	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1193671"	159.085084666667	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1665265"	477.282288	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"167144"	893.49424	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"608890"	1301.78184	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1093402"	485.20664	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"151312"	447.250758	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"587593"	651.394558	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1070647"	243.106958	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1105312"	487.221192	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1348268"	487.308807	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1013517"	491.347976	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1536992"	492.341608	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"1001373"	246.177626	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1598066"	493.256228	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1418257"	523.287738	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1152921"	266.690901	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1703568"	540.314285	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1641407"	545.26968	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1585805"	561.24362	"C17737"	"Allocholic acid;Allocholate;3alpha7alpha12alpha-Trihydroxy-5alpha-cholanoic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"806330"	955.1626	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M"	0
"980956"	936.14421	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H2O-H"	-19.01839
"73575"	635.767790666667	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-3H"	-3.021828
"506574"	954.155324	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-3H"	-3.021828
"885469"	317.380257333333	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-3H"	-3.021828
"13885"	954.155324	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H"	-2.014552
"444699"	1431.736624	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H"	-2.014552
"830154"	476.574024	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H"	-2.014552
"89053"	1909.317924	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-H"	-1.007276
"533719"	2864.480524	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-H"	-1.007276
"909332"	954.155324	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H"	-1.007276
"59698"	1926.344471	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H+NH4"	16.019271
"500351"	2881.507071	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H+NH4"	16.019271
"874874"	971.181871	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H+NH4"	16.019271
"44596"	1931.299866	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H+Na"	20.974666
"487002"	2886.462466	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H+Na"	20.974666
"864158"	976.137266	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H+Na"	20.974666
"1633684"	976.137266	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na-2H"	20.974666
"105106"	972.143663	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-H+Cl"	33.962126
"549771"	1449.724963	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-H+Cl"	33.962126
"931985"	494.562363	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+Cl"	33.962126
"281118"	1945.294602	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Cl"	34.969402
"669164"	2900.457202	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+Cl"	34.969402
"1287036"	990.132002	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl"	34.969402
"30321"	1947.273806	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M-2H+K"	36.948606
"468059"	2902.436406	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M-2H+K"	36.948606
"848011"	992.111206	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-2H+K"	36.948606
"1567890"	992.111206	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K-2H"	36.948606
"955407"	1000.160794	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+HCOOH"	44.998194
"373259"	1955.323401	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+HCOOH-H"	44.998201
"358602"	1969.339051	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Hac-H"	59.013851
"1504883"	1014.176451	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Hac-H"	59.013851
"969509"	1022.142751	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+NaCOOH"	66.980151
"120237"	990.132002	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2Cl"	69.938804
"557609"	1467.713302	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2Cl"	69.938804
"1036823"	512.550702	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2Cl"	69.938804
"1255833"	1034.081485	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Br"	78.918885
"1318282"	1036.137472	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl+HCOOH"	80.974872
"1335182"	1058.119429	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl+NaCOOH"	102.956829
"926852"	1068.148186	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M-H+CF3COOH"	112.985586
"1304047"	1104.124864	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Cl+CF3COOH"	148.962264
"1382556"	920.149924	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H-2H2O"	-35.012676
"1397755"	938.1599	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H-H2O"	-17.0027
"295615"	1911.332476	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H"	1.007276
"689496"	2866.495076	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H"	1.007276
"1364019"	956.169876	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H"	1.007276
"138002"	956.169876	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2H"	2.014552
"576474"	1433.751176	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2H"	2.014552
"1046728"	478.588576	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2H"	2.014552
"215725"	637.782342666667	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+3H"	3.021828
"658206"	956.169876	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+3H"	3.021828
"1167946"	319.394809333333	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+3H"	3.021828
"433404"	1928.359023	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+NH4"	18.033823
"788932"	2883.521623	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+NH4"	18.033823
"1688542"	973.196423	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+NH4"	18.033823
"341562"	964.6831495	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H+NH4"	19.041099
"734349"	1442.2644495	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H+NH4"	19.041099
"1486345"	487.1018495	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+NH4"	19.041099
"399562"	1933.314418	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Na"	22.989218
"759463"	2888.477018	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+Na"	22.989218
"1607565"	978.151818	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na"	22.989218
"317601"	967.160847	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H+Na"	23.996494
"711118"	1444.742147	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H+Na"	23.996494
"1467123"	489.579547	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+Na"	23.996494
"1062560"	326.722123333333	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2H+Na"	25.00377
"1264237"	988.196086	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+CH3OH+H"	33.033486
"386093"	1949.288358	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+K"	38.963158
"745994"	2904.450958	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+K"	38.963158
"1548048"	994.125758	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K"	38.963158
"304131"	975.147817	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+H+K"	39.970434
"698739"	1452.729117	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+H+K"	39.970434
"1450374"	497.566517	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+K"	39.970434
"237881"	1952.359026	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+ACN+H"	42.033826
"1213139"	997.196426	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+ACN+H"	42.033826
"1197020"	499.101851	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+ACN+2H"	43.041102
"189649"	1955.29636	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2Na-H"	44.97116
"629817"	2910.45896	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2Na-H"	44.97116
"1133448"	1000.13376	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2Na-H"	44.97116
"175522"	978.151818	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2Na"	45.978436
"615808"	1455.733118	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2Na"	45.978436
"1124427"	500.570518	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2Na"	45.978436
"1403577"	334.049437333333	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+2Na"	46.985712
"1440070"	1002.175346	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+HCOOH"	47.012746
"228672"	983.18484	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+3H2O+2H"	56.04448
"1515642"	1016.22739	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+IsoProp+H"	61.06479
"417517"	986.138788	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+Na+K"	61.952376
"782160"	1463.720088	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+Na+K"	61.952376
"1674845"	508.557488	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na+K"	61.952376
"259177"	1974.340968	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+ACN+Na"	64.015768
"1236259"	1019.178368	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+ACN+Na"	64.015768
"1726968"	1019.201893	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+NH4+HCOOH"	64.039293
"1191593"	341.376751333333	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+3Na"	68.967654
"1662579"	1024.157288	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na+HCOOH"	68.994688
"167252"	1987.24424	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2K-H"	76.91904
"609000"	2942.40684	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2K-H"	76.91904
"1096793"	1032.08164	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2K-H"	76.91904
"151422"	994.125758	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"2M+2K"	77.926316
"586610"	1471.707058	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"3M+2K"	77.926316
"1073308"	516.544458	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2K"	77.926316
"1103236"	1034.096192	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2K+H"	78.933592
"1348378"	1034.183807	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+DMSO+H"	79.021207
"1018003"	1038.222976	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2ACN+H"	83.060376
"1533944"	1039.216608	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+IsoProp+Na+H"	84.054008
"1003672"	519.615126	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+2ACN+2H"	84.067652
"1594894"	1040.131228	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K+HCOOH"	84.968628
"1423832"	1070.162738	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+H+CF3COOH"	115.000138
"1157401"	540.128401	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+3ACN+2H"	125.094202
"1703673"	1087.189285	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+NH4+CF3COOH"	132.026685
"1641512"	1092.14468	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+Na+CF3COOH"	136.98208
"1577167"	1108.11862	"C17740"	"p-Coumaroyl-diketide-CoA;(4-Coumaroyl)acetyl-CoA"	"C32H44N7O19P3S"	"955.1626"	"M+K+CF3COOH"	152.95602
"815191"	985.1731	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M"	0
"983254"	966.15471	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-H2O-H"	-19.01839
"72589"	655.774790666667	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M-3H"	-3.021828
"505590"	984.165824	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M-3H"	-3.021828
"884485"	327.383757333333	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-3H"	-3.021828
"5246"	984.165824	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M-2H"	-2.014552
"449181"	1476.752374	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M-2H"	-2.014552
"821515"	491.579274	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-2H"	-2.014552
"89162"	1969.338924	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M-H"	-1.007276
"526537"	2954.512024	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M-H"	-1.007276
"904338"	984.165824	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-H"	-1.007276
"56528"	1986.365471	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M-2H+NH4"	16.019271
"493901"	2971.538571	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M-2H+NH4"	16.019271
"877901"	1001.192371	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-2H+NH4"	16.019271
"44706"	1991.320866	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M-2H+Na"	20.974666
"485849"	2976.493966	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M-2H+Na"	20.974666
"863773"	1006.147766	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-2H+Na"	20.974666
"1628689"	1006.147766	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Na-2H"	20.974666
"105218"	1002.154163	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M-H+Cl"	33.962126
"546965"	1494.740713	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M-H+Cl"	33.962126
"929547"	509.567613	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-H+Cl"	33.962126
"281228"	2005.315602	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+Cl"	34.969402
"671461"	2990.488702	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+Cl"	34.969402
"1286051"	1020.142502	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Cl"	34.969402
"29703"	2007.294806	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M-2H+K"	36.948606
"468169"	2992.467906	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M-2H+K"	36.948606
"842690"	1022.121706	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-2H+K"	36.948606
"1568367"	1022.121706	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+K-2H"	36.948606
"955521"	1030.171294	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-H+HCOOH"	44.998194
"374464"	2015.344401	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+HCOOH-H"	44.998201
"353970"	2029.360051	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+Hac-H"	59.013851
"1497337"	1044.186951	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Hac-H"	59.013851
"964878"	1052.153251	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-H+NaCOOH"	66.980151
"120347"	1020.142502	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+2Cl"	69.938804
"553347"	1512.729052	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+2Cl"	69.938804
"1036610"	527.555952	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2Cl"	69.938804
"1251569"	1064.091985	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Br"	78.918885
"1315112"	1066.147972	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Cl+HCOOH"	80.974872
"1335499"	1088.129929	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Cl+NaCOOH"	102.956829
"926469"	1098.158686	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M-H+CF3COOH"	112.985586
"1303907"	1134.135364	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Cl+CF3COOH"	148.962264
"1382571"	950.160424	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H-2H2O"	-35.012676
"1396404"	968.1704	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H-H2O"	-17.0027
"296455"	1971.353476	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+H"	1.007276
"689606"	2956.526576	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+H"	1.007276
"1364129"	986.180376	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H"	1.007276
"133011"	986.180376	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+2H"	2.014552
"572573"	1478.766926	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+2H"	2.014552
"1045745"	493.593826	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2H"	2.014552
"216928"	657.789342666667	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+3H"	3.021828
"654303"	986.180376	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+3H"	3.021828
"1170242"	329.398309333333	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+3H"	3.021828
"432421"	1988.380023	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+NH4"	18.033823
"797063"	2973.553123	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+NH4"	18.033823
"1693760"	1003.206923	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+NH4"	18.033823
"342766"	994.6936495	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+H+NH4"	19.041099
"735187"	1487.2801995	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+H+NH4"	19.041099
"1484268"	502.1070995	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H+NH4"	19.041099
"399672"	1993.335418	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+Na"	22.989218
"760666"	2978.508518	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+Na"	22.989218
"1604638"	1008.162318	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Na"	22.989218
"316618"	997.171347	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+H+Na"	23.996494
"712321"	1489.757897	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+H+Na"	23.996494
"1470517"	504.584797	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H+Na"	23.996494
"1065950"	336.725623333333	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2H+Na"	25.00377
"1264347"	1018.206586	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+CH3OH+H"	33.033486
"385106"	2009.309358	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+K"	38.963158
"747196"	2994.482458	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+K"	38.963158
"1547063"	1024.136258	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+K"	38.963158
"306427"	1005.158317	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+H+K"	39.970434
"695200"	1497.744867	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+H+K"	39.970434
"1451574"	512.571767	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H+K"	39.970434
"242361"	2012.380026	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+ACN+H"	42.033826
"1215072"	1027.206926	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+ACN+H"	42.033826
"1195309"	514.107101	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+ACN+2H"	43.041102
"198386"	2015.31736	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+2Na-H"	44.97116
"630295"	3000.49046	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+2Na-H"	44.97116
"1131651"	1030.14426	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2Na-H"	44.97116
"173808"	1008.162318	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+2Na"	45.978436
"614592"	1500.748868	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+2Na"	45.978436
"1120165"	515.575768	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2Na"	45.978436
"1409158"	344.052937333333	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H+2Na"	46.985712
"1435808"	1032.185846	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H+HCOOH"	47.012746
"227689"	1013.19534	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+3H2O+2H"	56.04448
"1517939"	1046.23789	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+IsoProp+H"	61.06479
"419815"	1016.149288	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+Na+K"	61.952376
"781905"	1508.735838	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+Na+K"	61.952376
"1676048"	523.562738	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Na+K"	61.952376
"263298"	2034.361968	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+ACN+Na"	64.015768
"1241315"	1049.188868	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+ACN+Na"	64.015768
"1727442"	1049.212393	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+NH4+HCOOH"	64.039293
"1194185"	351.380251333333	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+3Na"	68.967654
"1663783"	1054.167788	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Na+HCOOH"	68.994688
"169549"	2047.26524	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+2K-H"	76.91904
"605829"	3032.43834	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+2K-H"	76.91904
"1096903"	1062.09214	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2K-H"	76.91904
"148252"	1024.136258	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"2M+2K"	77.926316
"586719"	1516.722808	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"3M+2K"	77.926316
"1075604"	531.549708	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2K"	77.926316
"1109917"	1064.106692	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2K+H"	78.933592
"1344114"	1064.194307	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+DMSO+H"	79.021207
"1014835"	1068.233476	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2ACN+H"	83.060376
"1537335"	1069.227108	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+IsoProp+Na+H"	84.054008
"998314"	534.620376	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+2ACN+2H"	84.067652
"1595005"	1070.141728	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+K+HCOOH"	84.968628
"1423942"	1100.173238	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+H+CF3COOH"	115.000138
"1154232"	555.133651	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+3ACN+2H"	125.094202
"1702689"	1117.199785	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+NH4+CF3COOH"	132.026685
"1638340"	1122.15518	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+Na+CF3COOH"	136.98208
"1577277"	1138.12912	"C17741"	"Feruloyl-diketide-CoA;Feruloylacetyl-CoA"	"C33H46N7O20P3S"	"985.1731"	"M+K+CF3COOH"	152.95602
"812021"	338.1154	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M"	0
"983364"	319.09701	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-H2O-H"	-19.01839
"69419"	224.402990666667	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M-3H"	-3.021828
"507887"	337.108124	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M-3H"	-3.021828
"888969"	111.697857333333	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-3H"	-3.021828
"143"	337.108124	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M-2H"	-2.014552
"449291"	506.165824	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M-2H"	-2.014552
"823812"	168.050424	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-2H"	-2.014552
"85993"	675.223524	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M-H"	-1.007276
"524461"	1013.338924	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M-H"	-1.007276
"904448"	337.108124	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-H"	-1.007276
"56638"	692.250071	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M-2H+NH4"	16.019271
"494011"	1030.365471	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M-2H+NH4"	16.019271
"878011"	354.134671	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-2H+NH4"	16.019271
"43723"	697.205466	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M-2H+Na"	20.974666
"484378"	1035.320866	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M-2H+Na"	20.974666
"864004"	359.090066	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-2H+Na"	20.974666
"1630987"	359.090066	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Na-2H"	20.974666
"103141"	355.096463	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M-H+Cl"	33.962126
"545981"	524.154163	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M-H+Cl"	33.962126
"928564"	186.038763	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-H+Cl"	33.962126
"280244"	711.200202	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+Cl"	34.969402
"670477"	1049.315602	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+Cl"	34.969402
"1282880"	373.084802	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Cl"	34.969402
"27262"	713.179406	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M-2H+K"	36.948606
"464999"	1051.294806	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M-2H+K"	36.948606
"842800"	375.064006	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-2H+K"	36.948606
"1564101"	375.064006	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+K-2H"	36.948606
"953807"	383.113594	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-H+HCOOH"	44.998194
"372750"	721.229001	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+HCOOH-H"	44.998201
"354080"	735.244651	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+Hac-H"	59.013851
"1498540"	397.129251	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Hac-H"	59.013851
"964988"	405.095551	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-H+NaCOOH"	66.980151
"119364"	373.084802	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+2Cl"	69.938804
"553457"	542.142502	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+2Cl"	69.938804
"1036843"	204.027102	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2Cl"	69.938804
"1251679"	417.034285	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Br"	78.918885
"1316315"	419.090272	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Cl+HCOOH"	80.974872
"1334553"	441.072229	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Cl+NaCOOH"	102.956829
"925850"	451.100986	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M-H+CF3COOH"	112.985586
"1301952"	487.077664	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Cl+CF3COOH"	148.962264
"1381570"	303.102724	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H-2H2O"	-35.012676
"1397608"	321.1127	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H-H2O"	-17.0027
"296563"	677.238076	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+H"	1.007276
"689352"	1015.353476	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+H"	1.007276
"1361323"	339.122676	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H"	1.007276
"133120"	339.122676	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+2H"	2.014552
"575596"	508.180376	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+2H"	2.014552
"1045854"	170.064976	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2H"	2.014552
"210476"	226.417542666667	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+3H"	3.021828
"645663"	339.122676	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+3H"	3.021828
"1164519"	113.712409333333	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+3H"	3.021828
"429250"	694.264623	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+NH4"	18.033823
"791339"	1032.380023	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+NH4"	18.033823
"1692775"	356.149223	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+NH4"	18.033823
"337043"	347.6359495	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+H+NH4"	19.041099
"724481"	516.6936495	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+H+NH4"	19.041099
"1482191"	178.5782495	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H+NH4"	19.041099
"397595"	699.220018	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+Na"	22.989218
"760776"	1037.335418	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+Na"	22.989218
"1605599"	361.104618	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Na"	22.989218
"316729"	350.113647	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+H+Na"	23.996494
"712431"	519.171347	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+H+Na"	23.996494
"1471720"	181.055947	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H+Na"	23.996494
"1065939"	121.039723333333	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2H+Na"	25.00377
"1264457"	371.148886	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+CH3OH+H"	33.033486
"384124"	715.193958	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+K"	38.963158
"744026"	1053.309358	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+K"	38.963158
"1547173"	377.078558	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+K"	38.963158
"307630"	358.100617	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+H+K"	39.970434
"693486"	527.158317	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+H+K"	39.970434
"1448038"	189.042917	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H+K"	39.970434
"238460"	718.264626	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+ACN+H"	42.033826
"1214815"	380.149226	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+ACN+H"	42.033826
"1195052"	190.578251	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+ACN+2H"	43.041102
"195215"	721.20196	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+2Na-H"	44.97116
"630768"	1059.31736	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+2Na-H"	44.97116
"1132084"	383.08656	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2Na-H"	44.97116
"173917"	361.104618	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+2Na"	45.978436
"614579"	530.162318	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+2Na"	45.978436
"1116992"	192.046918	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2Na"	45.978436
"1408905"	128.367037333333	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H+2Na"	46.985712
"1436282"	385.128146	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H+HCOOH"	47.012746
"228892"	366.13764	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+3H2O+2H"	56.04448
"1514769"	399.18019	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+IsoProp+H"	61.06479
"418831"	369.091588	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+Na+K"	61.952376
"780920"	538.149288	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+Na+K"	61.952376
"1676158"	200.033888	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Na+K"	61.952376
"262676"	740.246568	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+ACN+Na"	64.015768
"1237572"	402.131168	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+ACN+Na"	64.015768
"1726461"	402.154693	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+NH4+HCOOH"	64.039293
"1194007"	135.694351333333	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+3Na"	68.967654
"1664864"	407.110088	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Na+HCOOH"	68.994688
"168566"	753.14984	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+2K-H"	76.91904
"605939"	1091.26524	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+2K-H"	76.91904
"1090816"	415.03444	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2K-H"	76.91904
"146177"	377.078558	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"2M+2K"	77.926316
"585007"	546.136258	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"3M+2K"	77.926316
"1073527"	208.020858	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2K"	77.926316
"1111120"	417.048992	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2K+H"	78.933592
"1344224"	417.136607	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+DMSO+H"	79.021207
"1019319"	421.175776	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2ACN+H"	83.060376
"1538417"	422.169408	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+IsoProp+Na+H"	84.054008
"1001706"	211.091526	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+2ACN+2H"	84.067652
"1601676"	423.084028	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+K+HCOOH"	84.968628
"1421867"	453.115538	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+H+CF3COOH"	115.000138
"1154342"	231.604801	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+3ACN+2H"	125.094202
"1703893"	470.142085	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+NH4+CF3COOH"	132.026685
"1641730"	475.09748	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+Na+CF3COOH"	136.98208
"1579574"	491.07142	"C17742"	"Demethoxycurcumin"	"C20H18O5"	"338.1154"	"M+K+CF3COOH"	152.95602
"813224"	308.1049	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M"	0
"983474"	289.08651	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-H2O-H"	-19.01839
"69529"	204.395990666667	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M-3H"	-3.021828
"510184"	307.097624	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M-3H"	-3.021828
"886892"	101.694357333333	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-3H"	-3.021828
"684"	307.097624	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M-2H"	-2.014552
"449401"	461.150074	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M-2H"	-2.014552
"822829"	153.045174	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-2H"	-2.014552
"86103"	615.202524	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M-H"	-1.007276
"526758"	923.307424	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M-H"	-1.007276
"901278"	307.097624	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-H"	-1.007276
"56748"	632.229071	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M-2H+NH4"	16.019271
"497401"	940.333971	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M-2H+NH4"	16.019271
"878121"	324.124171	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-2H+NH4"	16.019271
"44805"	637.184466	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M-2H+Na"	20.974666
"484488"	945.289366	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M-2H+Na"	20.974666
"860469"	329.079566	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-2H+Na"	20.974666
"1628909"	329.079566	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Na-2H"	20.974666
"98878"	325.085963	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M-H+Cl"	33.962126
"541717"	479.138413	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M-H+Cl"	33.962126
"929767"	171.033513	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-H+Cl"	33.962126
"279261"	651.179202	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+Cl"	34.969402
"666213"	959.284102	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+Cl"	34.969402
"1281897"	343.074302	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Cl"	34.969402
"27736"	653.158406	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M-2H+K"	36.948606
"468758"	961.263306	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M-2H+K"	36.948606
"846191"	345.053506	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-2H+K"	36.948606
"1562024"	345.053506	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+K-2H"	36.948606
"951001"	353.103094	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-H+HCOOH"	44.998194
"370308"	661.208001	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+HCOOH-H"	44.998201
"353097"	675.223651	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+Hac-H"	59.013851
"1500837"	367.118751	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Hac-H"	59.013851
"968379"	375.085051	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-H+NaCOOH"	66.980151
"117287"	343.074302	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+2Cl"	69.938804
"553567"	497.126752	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+2Cl"	69.938804
"1035736"	189.021852	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2Cl"	69.938804
"1255071"	387.023785	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Br"	78.918885
"1316425"	389.079772	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Cl+HCOOH"	80.974872
"1335555"	411.061729	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Cl+NaCOOH"	102.956829
"926570"	421.090486	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M-H+CF3COOH"	112.985586
"1303766"	457.067164	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Cl+CF3COOH"	148.962264
"1382535"	273.092224	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H-2H2O"	-35.012676
"1394070"	291.1022	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H-H2O"	-17.0027
"298136"	617.217076	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+H"	1.007276
"687273"	925.321976	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+H"	1.007276
"1361433"	309.112176	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H"	1.007276
"137606"	309.112176	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+2H"	2.014552
"577893"	463.164626	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+2H"	2.014552
"1049975"	155.059726	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2H"	2.014552
"209492"	206.410542666667	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+3H"	3.021828
"645167"	309.112176	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+3H"	3.021828
"1164264"	103.708909333333	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+3H"	3.021828
"429360"	634.243623	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+NH4"	18.033823
"789625"	942.348523	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+NH4"	18.033823
"1691060"	326.138723	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+NH4"	18.033823
"337152"	317.6254495	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+H+NH4"	19.041099
"730667"	471.6778995	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+H+NH4"	19.041099
"1480478"	163.5729995	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H+NH4"	19.041099
"397705"	639.199018	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+Na"	22.989218
"760886"	947.303918	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+Na"	22.989218
"1610083"	331.094118	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Na"	22.989218
"323400"	320.103147	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+H+Na"	23.996494
"712541"	474.155597	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+H+Na"	23.996494
"1471830"	166.050697	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H+Na"	23.996494
"1063982"	111.036223333333	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2H+Na"	25.00377
"1264566"	341.138386	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+CH3OH+H"	33.033486
"383139"	655.172958	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+K"	38.963158
"743042"	963.277858	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+K"	38.963158
"1542907"	347.068058	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+K"	38.963158
"303000"	328.090117	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+H+K"	39.970434
"695784"	482.142567	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+H+K"	39.970434
"1448880"	174.037667	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H+K"	39.970434
"241853"	658.243626	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+ACN+H"	42.033826
"1214197"	350.138726	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+ACN+H"	42.033826
"1197352"	175.573001	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+ACN+2H"	43.041102
"193504"	661.18096	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+2Na-H"	44.97116
"630878"	969.28586	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+2Na-H"	44.97116
"1133046"	353.07606	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2Na-H"	44.97116
"175121"	331.094118	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+2Na"	45.978436
"613343"	485.146568	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+2Na"	45.978436
"1116162"	177.041668	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2Na"	45.978436
"1410110"	118.363537333333	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H+2Na"	46.985712
"1436028"	355.117646	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H+HCOOH"	47.012746
"230825"	336.12714	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+3H2O+2H"	56.04448
"1518159"	369.16969	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+IsoProp+H"	61.06479
"419668"	339.081088	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+Na+K"	61.952376
"777749"	493.133538	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+Na+K"	61.952376
"1675173"	185.028638	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Na+K"	61.952376
"261329"	680.225568	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+ACN+Na"	64.015768
"1239872"	372.120668	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+ACN+Na"	64.015768
"1726451"	372.144193	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+NH4+HCOOH"	64.039293
"1193024"	125.690851333333	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+3Na"	68.967654
"1662908"	377.099588	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Na+HCOOH"	68.994688
"171714"	693.12884	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+2K-H"	76.91904
"606049"	1001.23374	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+2K-H"	76.91904
"1097852"	385.02394	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2K-H"	76.91904
"147380"	347.068058	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"2M+2K"	77.926316
"588034"	501.120508	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"3M+2K"	77.926316
"1074731"	193.015608	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2K"	77.926316
"1107951"	387.038492	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2K+H"	78.933592
"1339960"	387.126107	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+DMSO+H"	79.021207
"1013960"	391.165276	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2ACN+H"	83.060376
"1533178"	392.158908	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+IsoProp+Na+H"	84.054008
"1001816"	196.086276	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+2ACN+2H"	84.067652
"1600692"	393.073528	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+K+HCOOH"	84.968628
"1420883"	423.105038	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+H+CF3COOH"	115.000138
"1153358"	216.599551	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+3ACN+2H"	125.094202
"1701817"	440.131585	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+NH4+CF3COOH"	132.026685
"1637467"	445.08698	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+Na+CF3COOH"	136.98208
"1579684"	461.06092	"C17743"	"Bisdemethoxycurcumin"	"C19H16O4"	"308.1049"	"M+K+CF3COOH"	152.95602
"806772"	260.1412	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M"	0
"975322"	241.12281	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-H2O-H"	-19.01839
"64050"	172.420190666667	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M-3H"	-3.021828
"508106"	259.133924	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M-3H"	-3.021828
"881413"	85.7064573333333	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-3H"	-3.021828
"347"	259.133924	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M-2H"	-2.014552
"441857"	389.204524	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M-2H"	-2.014552
"818928"	129.063324	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-2H"	-2.014552
"84023"	519.275124	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M-H"	-1.007276
"526866"	779.416324	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M-H"	-1.007276
"902482"	259.133924	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-H"	-1.007276
"53577"	536.301671	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M-2H+NH4"	16.019271
"497511"	796.442871	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M-2H+NH4"	16.019271
"872032"	276.160471	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-2H+NH4"	16.019271
"39934"	541.257066	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M-2H+Na"	20.974666
"486054"	801.398266	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M-2H+Na"	20.974666
"855113"	281.115866	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-2H+Na"	20.974666
"1633028"	281.115866	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Na-2H"	20.974666
"95707"	277.122263	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M-H+Cl"	33.962126
"539645"	407.192863	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M-H+Cl"	33.962126
"936440"	147.051663	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-H+Cl"	33.962126
"273902"	555.251802	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+Cl"	34.969402
"663043"	815.393002	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+Cl"	34.969402
"1280914"	295.110602	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Cl"	34.969402
"22376"	557.231006	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M-2H+K"	36.948606
"461938"	817.372206	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M-2H+K"	36.948606
"843019"	297.089806	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-2H+K"	36.948606
"1559947"	297.089806	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+K-2H"	36.948606
"946734"	305.139394	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-H+HCOOH"	44.998194
"367137"	565.280601	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+HCOOH-H"	44.998201
"348834"	579.296251	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+Hac-H"	59.013851
"1498761"	319.155051	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Hac-H"	59.013851
"961928"	327.121351	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-H+NaCOOH"	66.980151
"123959"	295.110602	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+2Cl"	69.938804
"563891"	425.181202	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+2Cl"	69.938804
"1034143"	165.040002	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2Cl"	69.938804
"1253359"	339.060085	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Br"	78.918885
"1315442"	341.116072	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Cl+HCOOH"	80.974872
"1334403"	363.098029	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Cl+NaCOOH"	102.956829
"923275"	373.126786	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M-H+CF3COOH"	112.985586
"1295244"	409.103464	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Cl+CF3COOH"	148.962264
"1376683"	225.128524	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H-2H2O"	-35.012676
"1389807"	243.1385	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H-H2O"	-17.0027
"286212"	521.289676	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+H"	1.007276
"684467"	781.430876	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+H"	1.007276
"1360452"	261.148476	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H"	1.007276
"136257"	261.148476	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+2H"	2.014552
"572903"	391.219076	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+2H"	2.014552
"1042797"	131.077876	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2H"	2.014552
"205474"	174.434742666667	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+3H"	3.021828
"645883"	261.148476	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+3H"	3.021828
"1165830"	87.7210093333334	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+3H"	3.021828
"429468"	538.316223	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+NH4"	18.033823
"791560"	798.457423	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+NH4"	18.033823
"1686796"	278.175023	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+NH4"	18.033823
"331793"	269.6617495	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+H+NH4"	19.041099
"724461"	399.7323495	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+H+NH4"	19.041099
"1479495"	139.5911495	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H+NH4"	19.041099
"394412"	543.271618	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+Na"	22.989218
"761000"	803.412818	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+Na"	22.989218
"1615661"	283.130418	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Na"	22.989218
"321323"	272.139447	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+H+Na"	23.996494
"721038"	402.210047	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+H+Na"	23.996494
"1475223"	142.068847	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H+Na"	23.996494
"1062998"	95.0483233333333	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2H+Na"	25.00377
"1261395"	293.174686	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+CH3OH+H"	33.033486
"382158"	559.245558	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+K"	38.963158
"739870"	819.386758	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+K"	38.963158
"1541560"	299.104358	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+K"	38.963158
"302017"	280.126417	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+H+K"	39.970434
"699180"	410.197017	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+H+K"	39.970434
"1448258"	150.055817	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H+K"	39.970434
"239775"	562.316226	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+ACN+H"	42.033826
"1219776"	302.175026	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+ACN+H"	42.033826
"1199650"	151.591151	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+ACN+2H"	43.041102
"191060"	565.25356	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+2Na-H"	44.97116
"634631"	825.39476	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+2Na-H"	44.97116
"1132055"	305.11236	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2Na-H"	44.97116
"179614"	283.130418	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+2Na"	45.978436
"613823"	413.201018	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+2Na"	45.978436
"1128149"	153.059818	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2Na"	45.978436
"1410583"	102.375637333333	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H+2Na"	46.985712
"1433586"	307.153946	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H+HCOOH"	47.012746
"224012"	288.16344	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+3H2O+2H"	56.04448
"1516082"	321.20599	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+IsoProp+H"	61.06479
"416136"	291.117388	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+Na+K"	61.952376
"774578"	421.187988	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+Na+K"	61.952376
"1672002"	161.046788	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Na+K"	61.952376
"259618"	584.298168	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+ACN+Na"	64.015768
"1234149"	324.156968	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+ACN+Na"	64.015768
"1725223"	324.180493	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+NH4+HCOOH"	64.039293
"1189481"	109.702951333333	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+3Na"	68.967654
"1662655"	329.135888	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Na+HCOOH"	68.994688
"170245"	597.20144	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+2K-H"	76.91904
"607252"	857.34264	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+2K-H"	76.91904
"1089941"	337.06024	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2K-H"	76.91904
"146397"	299.104358	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"2M+2K"	77.926316
"589235"	429.174958	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"3M+2K"	77.926316
"1072653"	169.033758	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2K"	77.926316
"1105875"	339.074792	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2K+H"	78.933592
"1348824"	339.162407	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+DMSO+H"	79.021207
"1015165"	343.201576	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2ACN+H"	83.060376
"1533289"	344.195208	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+IsoProp+Na+H"	84.054008
"994270"	172.104426	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+2ACN+2H"	84.067652
"1587797"	345.109828	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+K+HCOOH"	84.968628
"1418806"	375.141338	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+H+CF3COOH"	115.000138
"1156748"	192.617701	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+3ACN+2H"	125.094202
"1697917"	392.167885	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+NH4+CF3COOH"	132.026685
"1645237"	397.12328	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+Na+CF3COOH"	136.98208
"1579794"	413.09722	"C17744"	"1-(4-Hydroxyphenyl)-1-decene-35-dione"	"C16H20O3"	"260.1412"	"M+K+CF3COOH"	152.95602
"806880"	276.1362	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M"	0
"978227"	257.11781	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-H2O-H"	-19.01839
"65377"	183.083524	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M-3H"	-3.021828
"507122"	275.128924	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M-3H"	-3.021828
"882740"	91.038124	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-3H"	-3.021828
"949"	275.128924	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M-2H"	-2.014552
"443061"	413.197024	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M-2H"	-2.014552
"820131"	137.060824	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-2H"	-2.014552
"83040"	551.265124	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M-H"	-1.007276
"523696"	827.401324	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M-H"	-1.007276
"899312"	275.128924	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-H"	-1.007276
"53687"	568.291671	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M-2H+NH4"	16.019271
"497621"	844.427871	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M-2H+NH4"	16.019271
"872142"	292.155471	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-2H+NH4"	16.019271
"40044"	573.247066	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M-2H+Na"	20.974666
"485071"	849.383266	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M-2H+Na"	20.974666
"857409"	297.110866	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-2H+Na"	20.974666
"1631314"	297.110866	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Na-2H"	20.974666
"98005"	293.117263	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M-H+Cl"	33.962126
"536473"	431.185363	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M-H+Cl"	33.962126
"929988"	155.049163	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-H+Cl"	33.962126
"269638"	587.241802	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+Cl"	34.969402
"662059"	863.378002	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+Cl"	34.969402
"1275556"	311.105602	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Cl"	34.969402
"16652"	589.221006	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M-2H+K"	36.948606
"464234"	865.357206	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M-2H+K"	36.948606
"843129"	313.084806	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-2H+K"	36.948606
"1563336"	313.084806	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+K-2H"	36.948606
"954500"	321.134394	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-H+HCOOH"	44.998194
"362872"	597.270601	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+HCOOH-H"	44.998201
"347850"	611.286251	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+Hac-H"	59.013851
"1498871"	335.150051	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Hac-H"	59.013851
"962038"	343.116351	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-H+NaCOOH"	66.980151
"124798"	311.105602	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+2Cl"	69.938804
"564366"	449.173702	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+2Cl"	69.938804
"1035710"	173.037502	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2Cl"	69.938804
"1254562"	355.055085	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Br"	78.918885
"1315552"	357.111072	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Cl+HCOOH"	80.974872
"1333785"	379.093029	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Cl+NaCOOH"	102.956829
"923749"	389.121786	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M-H+CF3COOH"	112.985586
"1295354"	425.098464	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Cl+CF3COOH"	148.962264
"1381050"	241.123524	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H-2H2O"	-35.012676
"1396476"	259.1335	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H-H2O"	-17.0027
"295073"	553.279676	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+H"	1.007276
"684212"	829.415876	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+H"	1.007276
"1361290"	277.143476	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H"	1.007276
"134179"	277.143476	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+2H"	2.014552
"571920"	415.211576	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+2H"	2.014552
"1042907"	139.075376	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2H"	2.014552
"205706"	185.098076	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+3H"	3.021828
"644655"	277.143476	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+3H"	3.021828
"1164118"	93.052676	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+3H"	3.021828
"429578"	570.306223	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+NH4"	18.033823
"789483"	846.442423	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+NH4"	18.033823
"1686906"	294.170023	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+NH4"	18.033823
"330810"	285.6567495	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+H+NH4"	19.041099
"722826"	423.7248495	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+H+NH4"	19.041099
"1480334"	147.5886495	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H+NH4"	19.041099
"395739"	575.261618	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+Na"	22.989218
"763297"	851.397818	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+Na"	22.989218
"1612490"	299.125418	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Na"	22.989218
"317422"	288.134447	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+H+Na"	23.996494
"714950"	426.202547	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+H+Na"	23.996494
"1469863"	150.066347	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H+Na"	23.996494
"1059828"	100.37999	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2H+Na"	25.00377
"1261505"	309.169686	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+CH3OH+H"	33.033486
"381175"	591.235558	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+K"	38.963158
"739251"	867.371758	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+K"	38.963158
"1540573"	315.099358	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+K"	38.963158
"300299"	296.121417	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+H+K"	39.970434
"694916"	434.189517	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+H+K"	39.970434
"1446545"	158.053317	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H+K"	39.970434
"238793"	594.306226	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+ACN+H"	42.033826
"1212960"	318.170026	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+ACN+H"	42.033826
"1196478"	159.588651	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+ACN+2H"	43.041102
"190196"	597.24356	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+2Na-H"	44.97116
"632920"	873.37976	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+2Na-H"	44.97116
"1132045"	321.10736	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2Na-H"	44.97116
"176444"	299.125418	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+2Na"	45.978436
"613204"	437.193518	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+2Na"	45.978436
"1127166"	161.057318	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2Na"	45.978436
"1409598"	107.707304	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H+2Na"	46.985712
"1431140"	323.148946	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H+HCOOH"	47.012746
"221205"	304.15844	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+3H2O+2H"	56.04448
"1511453"	337.20099	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+IsoProp+H"	61.06479
"411504"	307.112388	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+Na+K"	61.952376
"773595"	445.180488	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+Na+K"	61.952376
"1669924"	169.044288	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Na+K"	61.952376
"257903"	616.288168	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+ACN+Na"	64.015768
"1233528"	340.151968	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+ACN+Na"	64.015768
"1725697"	340.175493	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+NH4+HCOOH"	64.039293
"1189227"	115.034618	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+3Na"	68.967654
"1662034"	345.130888	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Na+HCOOH"	68.994688
"166708"	629.19144	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+2K-H"	76.91904
"608455"	905.32764	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+2K-H"	76.91904
"1091145"	353.05524	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2K-H"	76.91904
"145046"	315.099358	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"2M+2K"	77.926316
"587159"	453.167458	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"3M+2K"	77.926316
"1072763"	177.031258	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2K"	77.926316
"1105985"	355.069792	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2K+H"	78.933592
"1348935"	355.157407	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+DMSO+H"	79.021207
"1015275"	359.196576	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2ACN+H"	83.060376
"1532306"	360.190208	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+IsoProp+Na+H"	84.054008
"994380"	180.101926	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+2ACN+2H"	84.067652
"1589242"	361.104828	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+K+HCOOH"	84.968628
"1418916"	391.136338	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+H+CF3COOH"	115.000138
"1156858"	200.615201	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+3ACN+2H"	125.094202
"1697419"	408.162885	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+NH4+CF3COOH"	132.026685
"1645347"	413.11828	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+Na+CF3COOH"	136.98208
"1579904"	429.09222	"C17745"	"1-(34-Dihydroxyphenyl)-1-decene-35-dione"	"C16H20O4"	"276.1362"	"M+K+CF3COOH"	152.95602
"811365"	290.1518	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M"	0
"979430"	271.13341	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-H2O-H"	-19.01839
"66581"	192.427257333333	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M-3H"	-3.021828
"508327"	289.144524	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M-3H"	-3.021828
"888314"	95.7099906666667	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-3H"	-3.021828
"3611"	289.144524	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M-2H"	-2.014552
"443171"	434.220424	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M-2H"	-2.014552
"820970"	144.068624	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-2H"	-2.014552
"85337"	579.296324	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M-H"	-1.007276
"522712"	869.448124	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M-H"	-1.007276
"897235"	289.144524	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-H"	-1.007276
"50517"	596.322871	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M-2H+NH4"	16.019271
"496638"	886.474671	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M-2H+NH4"	16.019271
"871159"	306.171071	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-2H+NH4"	16.019271
"39061"	601.278266	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M-2H+Na"	20.974666
"485789"	891.430066	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M-2H+Na"	20.974666
"858612"	311.126466	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-2H+Na"	20.974666
"1631424"	311.126466	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Na-2H"	20.974666
"99209"	307.132863	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M-H+Cl"	33.962126
"537677"	452.208763	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M-H+Cl"	33.962126
"929003"	162.056963	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-H+Cl"	33.962126
"270841"	615.273002	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+Cl"	34.969402
"663262"	905.424802	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+Cl"	34.969402
"1276759"	325.121202	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Cl"	34.969402
"19315"	617.252206	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M-2H+K"	36.948606
"464344"	907.404006	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M-2H+K"	36.948606
"842146"	327.100406	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-2H+K"	36.948606
"1561259"	327.100406	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+K-2H"	36.948606
"954608"	335.149994	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-H+HCOOH"	44.998194
"366262"	625.301801	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+HCOOH-H"	44.998201
"347960"	639.317451	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+Hac-H"	59.013851
"1498981"	349.165651	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Hac-H"	59.013851
"963241"	357.131951	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-H+NaCOOH"	66.980151
"112511"	325.121202	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+2Cl"	69.938804
"554989"	470.197102	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+2Cl"	69.938804
"1027071"	180.045302	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2Cl"	69.938804
"1254307"	369.070685	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Br"	78.918885
"1316756"	371.126672	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Cl+HCOOH"	80.974872
"1334260"	393.108629	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Cl+NaCOOH"	102.956829
"923859"	403.137386	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M-H+CF3COOH"	112.985586
"1300933"	439.114064	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Cl+CF3COOH"	148.962264
"1380552"	255.139124	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H-2H2O"	-35.012676
"1396587"	273.1491	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H-H2O"	-17.0027
"295185"	581.310876	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+H"	1.007276
"686511"	871.462676	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+H"	1.007276
"1359577"	291.159076	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H"	1.007276
"131373"	291.159076	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+2H"	2.014552
"573124"	436.234976	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+2H"	2.014552
"1047392"	146.083176	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2H"	2.014552
"208732"	194.441809333333	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+3H"	3.021828
"648292"	291.159076	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+3H"	3.021828
"1164958"	97.7245426666667	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+3H"	3.021828
"430781"	598.337423	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+NH4"	18.033823
"791779"	888.489223	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+NH4"	18.033823
"1688109"	308.185623	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+NH4"	18.033823
"331649"	299.6723495	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+H+NH4"	19.041099
"723097"	444.7482495	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+H+NH4"	19.041099
"1479351"	154.5964495	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H+NH4"	19.041099
"393175"	603.292818	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+Na"	22.989218
"754777"	893.444618	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+Na"	22.989218
"1608228"	313.141018	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Na"	22.989218
"314897"	302.150047	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+H+Na"	23.996494
"711781"	447.225947	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+H+Na"	23.996494
"1466694"	157.074147	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H+Na"	23.996494
"1057023"	105.051856666667	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2H+Na"	25.00377
"1260522"	323.185286	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+CH3OH+H"	33.033486
"379461"	619.266758	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+K"	38.963158
"738615"	909.418558	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+K"	38.963158
"1539965"	329.114958	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+K"	38.963158
"298763"	310.137017	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+H+K"	39.970434
"693934"	455.212917	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+H+K"	39.970434
"1446655"	165.061117	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H+K"	39.970434
"239633"	622.337426	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+ACN+H"	42.033826
"1214529"	332.185626	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+ACN+H"	42.033826
"1198777"	166.596451	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+ACN+2H"	43.041102
"189821"	625.27476	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+2Na-H"	44.97116
"641050"	915.42656	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+2Na-H"	44.97116
"1131789"	335.12296	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2Na-H"	44.97116
"173224"	313.141018	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+2Na"	45.978436
"612946"	458.216918	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+2Na"	45.978436
"1123996"	168.065118	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2Na"	45.978436
"1408979"	112.379170666667	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H+2Na"	46.985712
"1432713"	337.164546	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H+HCOOH"	47.012746
"220218"	318.17404	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+3H2O+2H"	56.04448
"1511199"	351.21659	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+IsoProp+H"	61.06479
"414166"	321.127988	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+Na+K"	61.952376
"771515"	466.203888	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+Na+K"	61.952376
"1667848"	176.052088	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Na+K"	61.952376
"252180"	644.319368	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+ACN+Na"	64.015768
"1229992"	354.167568	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+ACN+Na"	64.015768
"1719244"	354.191093	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+NH4+HCOOH"	64.039293
"1189701"	119.706484666667	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+3Na"	68.967654
"1656677"	359.146488	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Na+HCOOH"	68.994688
"164631"	657.22264	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+2K-H"	76.91904
"604190"	947.37444	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+2K-H"	76.91904
"1089070"	367.07084	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2K-H"	76.91904
"144427"	329.114958	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"2M+2K"	77.926316
"583988"	474.190858	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"3M+2K"	77.926316
"1069103"	184.039058	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2K"	77.926316
"1108279"	369.085392	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2K+H"	78.933592
"1349412"	369.173007	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+DMSO+H"	79.021207
"1014292"	373.212176	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2ACN+H"	83.060376
"1535699"	374.205808	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+IsoProp+Na+H"	84.054008
"1005305"	187.109726	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+2ACN+2H"	84.067652
"1596647"	375.120428	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+K+HCOOH"	84.968628
"1421213"	405.151938	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+H+CF3COOH"	115.000138
"1155875"	207.623001	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+3ACN+2H"	125.094202
"1697166"	422.178485	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+NH4+CF3COOH"	132.026685
"1645457"	427.13388	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+Na+CF3COOH"	136.98208
"1580014"	443.10782	"C17746"	"1-Dehydro-6-gingerdione"	"C17H22O4"	"290.1518"	"M+K+CF3COOH"	152.95602
"807100"	264.1725	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M"	0
"978447"	245.15411	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-H2O-H"	-19.01839
"73251"	175.107724	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M-3H"	-3.021828
"509531"	263.165224	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M-3H"	-3.021828
"893527"	87.050224	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-3H"	-3.021828
"6999"	263.165224	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M-2H"	-2.014552
"444372"	395.251474	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M-2H"	-2.014552
"819987"	131.078974	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-2H"	-2.014552
"84354"	527.337724	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M-H"	-1.007276
"529382"	791.510224	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M-H"	-1.007276
"903903"	263.165224	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-H"	-1.007276
"52811"	544.364271	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M-2H+NH4"	16.019271
"497839"	808.536771	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M-2H+NH4"	16.019271
"874548"	280.191771	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-2H+NH4"	16.019271
"42449"	549.319666	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M-2H+Na"	20.974666
"476544"	813.492166	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M-2H+Na"	20.974666
"855439"	285.147166	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-2H+Na"	20.974666
"1626067"	285.147166	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Na-2H"	20.974666
"97132"	281.153563	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M-H+Cl"	33.962126
"534300"	413.239813	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M-H+Cl"	33.962126
"932395"	149.067313	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-H+Cl"	33.962126
"269858"	563.314402	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+Cl"	34.969402
"662279"	827.486902	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+Cl"	34.969402
"1275776"	299.141902	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Cl"	34.969402
"16264"	565.293606	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M-2H+K"	36.948606
"463359"	829.466106	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M-2H+K"	36.948606
"844441"	301.121106	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-2H+K"	36.948606
"1564649"	301.121106	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+K-2H"	36.948606
"954355"	309.170694	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-H+HCOOH"	44.998194
"370745"	573.343201	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+HCOOH-H"	44.998201
"351348"	587.358851	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+Hac-H"	59.013851
"1499091"	323.186351	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Hac-H"	59.013851
"962258"	331.152651	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-H+NaCOOH"	66.980151
"115537"	299.141902	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+2Cl"	69.938804
"554006"	431.228152	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+2Cl"	69.938804
"1026088"	167.055652	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2Cl"	69.938804
"1254782"	343.091385	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Br"	78.918885
"1315771"	345.147372	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Cl+HCOOH"	80.974872
"1334003"	367.129329	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Cl+NaCOOH"	102.956829
"926522"	377.158086	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M-H+CF3COOH"	112.985586
"1303923"	413.134764	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Cl+CF3COOH"	148.962264
"1380662"	229.159824	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H-2H2O"	-35.012676
"1397431"	247.1698	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H-H2O"	-17.0027
"293835"	529.352276	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+H"	1.007276
"688445"	793.524776	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+H"	1.007276
"1362239"	265.179776	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H"	1.007276
"134763"	265.179776	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+2H"	2.014552
"575422"	397.266026	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+2H"	2.014552
"1043126"	133.093526	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2H"	2.014552
"213217"	177.122276	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+3H"	3.021828
"646215"	265.179776	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+3H"	3.021828
"1168714"	89.064776	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+3H"	3.021828
"434171"	546.378823	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+NH4"	18.033823
"792982"	810.551323	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+NH4"	18.033823
"1688219"	282.206323	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+NH4"	18.033823
"335405"	273.6930495	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+H+NH4"	19.041099
"723410"	405.7792995	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+H+NH4"	19.041099
"1479462"	141.6067995	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H+NH4"	19.041099
"395959"	551.334218	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+Na"	22.989218
"761329"	815.506718	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+Na"	22.989218
"1602818"	287.161718	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Na"	22.989218
"314727"	276.170747	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+H+Na"	23.996494
"711891"	408.256997	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+H+Na"	23.996494
"1468992"	144.084497	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H+Na"	23.996494
"1056404"	96.39209	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2H+Na"	25.00377
"1257716"	297.205986	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+CH3OH+H"	33.033486
"377382"	567.308158	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+K"	38.963158
"739473"	831.480658	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+K"	38.963158
"1540432"	303.135658	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+K"	38.963158
"300162"	284.157717	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+H+K"	39.970434
"694408"	416.243967	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+H+K"	39.970434
"1451142"	152.071467	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H+K"	39.970434
"243024"	570.378826	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+ACN+H"	42.033826
"1213545"	306.206326	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+ACN+H"	42.033826
"1198521"	153.606801	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+ACN+2H"	43.041102
"190665"	573.31616	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+2Na-H"	44.97116
"637514"	837.48866	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+2Na-H"	44.97116
"1132390"	309.14366	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2Na-H"	44.97116
"172848"	287.161718	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+2Na"	45.978436
"613013"	419.247968	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+2Na"	45.978436
"1126293"	155.075468	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2Na"	45.978436
"1403622"	103.719404	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H+2Na"	46.985712
"1431730"	311.185246	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H+HCOOH"	47.012746
"221423"	292.19474	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+3H2O+2H"	56.04448
"1512402"	325.23729	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+IsoProp+H"	61.06479
"410996"	295.148688	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+Na+K"	61.952376
"770167"	427.234938	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+Na+K"	61.952376
"1667958"	163.062438	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Na+K"	61.952376
"253384"	592.360768	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+ACN+Na"	64.015768
"1231561"	328.188268	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+ACN+Na"	64.015768
"1719354"	328.211793	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+NH4+HCOOH"	64.039293
"1184708"	111.046718	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+3Na"	68.967654
"1655694"	333.167188	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Na+HCOOH"	68.994688
"165834"	605.26404	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+2K-H"	76.91904
"604300"	869.43654	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+2K-H"	76.91904
"1094284"	341.09154	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2K-H"	76.91904
"146724"	303.135658	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"2M+2K"	77.926316
"584098"	435.221908	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"3M+2K"	77.926316
"1069702"	171.049408	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2K"	77.926316
"1101824"	343.106092	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2K+H"	78.933592
"1339302"	343.193707	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+DMSO+H"	79.021207
"1011119"	347.232876	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2ACN+H"	83.060376
"1536905"	348.226508	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+IsoProp+Na+H"	84.054008
"998976"	174.120076	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+2ACN+2H"	84.067652
"1594570"	349.141128	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+K+HCOOH"	84.968628
"1418044"	379.172638	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+H+CF3COOH"	115.000138
"1147318"	194.633351	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+3ACN+2H"	125.094202
"1697072"	396.199185	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+NH4+CF3COOH"	132.026685
"1645565"	401.15458	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+Na+CF3COOH"	136.98208
"1586685"	417.12852	"C17747"	"5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone"	"C16H24O3"	"264.1725"	"M+K+CF3COOH"	152.95602
"807210"	280.1675	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M"	0
"977463"	261.14911	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-H2O-H"	-19.01839
"67894"	185.771057333333	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M-3H"	-3.021828
"507454"	279.160224	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M-3H"	-3.021828
"890721"	92.3818906666667	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-3H"	-3.021828
"7108"	279.160224	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M-2H"	-2.014552
"442293"	419.243974	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M-2H"	-2.014552
"822283"	139.076474	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-2H"	-2.014552
"86651"	559.327724	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M-H"	-1.007276
"529492"	839.495224	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M-H"	-1.007276
"900733"	279.160224	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-H"	-1.007276
"52921"	576.354271	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M-2H+NH4"	16.019271
"497949"	856.521771	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M-2H+NH4"	16.019271
"872471"	296.186771	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-2H+NH4"	16.019271
"42559"	581.309666	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M-2H+Na"	20.974666
"477747"	861.477166	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M-2H+Na"	20.974666
"857736"	301.142166	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-2H+Na"	20.974666
"1629457"	301.142166	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Na-2H"	20.974666
"97242"	297.148563	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M-H+Cl"	33.962126
"534859"	437.232313	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M-H+Cl"	33.962126
"932505"	157.064813	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-H+Cl"	33.962126
"272155"	595.304402	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+Cl"	34.969402
"664576"	875.471902	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+Cl"	34.969402
"1276979"	315.136902	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Cl"	34.969402
"17102"	597.283606	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M-2H+K"	36.948606
"465655"	877.451106	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M-2H+K"	36.948606
"844551"	317.116106	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-2H+K"	36.948606
"1565852"	317.116106	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+K-2H"	36.948606
"955558"	325.165694	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-H+HCOOH"	44.998194
"370855"	605.333201	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+HCOOH-H"	44.998201
"352551"	619.348851	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+Hac-H"	59.013851
"1499201"	339.181351	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Hac-H"	59.013851
"966740"	347.147651	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-H+NaCOOH"	66.980151
"115647"	315.136902	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+2Cl"	69.938804
"557396"	455.220652	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+2Cl"	69.938804
"1027290"	175.053152	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2Cl"	69.938804
"1255256"	359.086385	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Br"	78.918885
"1314787"	361.142372	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Cl+HCOOH"	80.974872
"1333020"	383.124329	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Cl+NaCOOH"	102.956829
"925906"	393.153086	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M-H+CF3COOH"	112.985586
"1303586"	429.129764	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Cl+CF3COOH"	148.962264
"1382560"	245.154824	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H-2H2O"	-35.012676
"1397539"	263.1648	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H-H2O"	-17.0027
"295767"	561.342276	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+H"	1.007276
"690258"	841.509776	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+H"	1.007276
"1366360"	281.174776	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H"	1.007276
"135602"	281.174776	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+2H"	2.014552
"576989"	421.258526	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+2H"	2.014552
"1043236"	141.091026	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2H"	2.014552
"208953"	187.785609333333	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+3H"	3.021828
"647418"	281.174776	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+3H"	3.021828
"1166637"	94.3964426666667	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+3H"	3.021828
"433188"	578.368823	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+NH4"	18.033823
"791998"	858.536323	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+NH4"	18.033823
"1690515"	298.201323	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+NH4"	18.033823
"334422"	289.6880495	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+H+NH4"	19.041099
"723320"	429.7717995	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+H+NH4"	19.041099
"1482852"	149.6042995	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H+NH4"	19.041099
"393392"	583.324218	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+Na"	22.989218
"761439"	863.491718	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+Na"	22.989218
"1604190"	303.156718	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Na"	22.989218
"315930"	292.165747	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+H+Na"	23.996494
"713094"	432.249497	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+H+Na"	23.996494
"1470195"	152.081997	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H+Na"	23.996494
"1057607"	101.723756666667	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2H+Na"	25.00377
"1258919"	313.200986	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+CH3OH+H"	33.033486
"380776"	599.298158	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+K"	38.963158
"741770"	879.465658	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+K"	38.963158
"1541271"	319.130658	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+K"	38.963158
"302823"	300.152717	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+H+K"	39.970434
"695247"	440.236467	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+H+K"	39.970434
"1451251"	160.068967	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H+K"	39.970434
"246413"	602.368826	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+ACN+H"	42.033826
"1214748"	322.201326	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+ACN+H"	42.033826
"1196808"	161.604301	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+ACN+2H"	43.041102
"192597"	605.30616	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+2Na-H"	44.97116
"640904"	885.47366	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+2Na-H"	44.97116
"1132135"	325.13866	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2Na-H"	44.97116
"172912"	303.156718	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+2Na"	45.978436
"613415"	443.240468	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+2Na"	45.978436
"1120934"	163.072968	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2Na"	45.978436
"1405554"	109.051070666667	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H+2Na"	46.985712
"1431840"	327.180246	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H+HCOOH"	47.012746
"221170"	308.18974	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+3H2O+2H"	56.04448
"1508654"	341.23229	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+IsoProp+H"	61.06479
"410740"	311.143688	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+Na+K"	61.952376
"770274"	451.227438	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+Na+K"	61.952376
"1665680"	171.059938	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Na+K"	61.952376
"253493"	624.350768	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+ACN+Na"	64.015768
"1230575"	344.183268	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+ACN+Na"	64.015768
"1715452"	344.206793	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+NH4+HCOOH"	64.039293
"1182629"	116.378384666667	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+3Na"	68.967654
"1654710"	349.162188	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Na+HCOOH"	68.994688
"164851"	637.25404	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+2K-H"	76.91904
"602223"	917.42154	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+2K-H"	76.91904
"1092204"	357.08654	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2K-H"	76.91904
"146835"	319.130658	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"2M+2K"	77.926316
"586396"	459.214408	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"3M+2K"	77.926316
"1071269"	179.046908	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2K"	77.926316
"1101445"	359.101092	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2K+H"	78.933592
"1340505"	359.188707	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+DMSO+H"	79.021207
"1009039"	363.227876	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2ACN+H"	83.060376
"1527164"	364.221508	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+IsoProp+Na+H"	84.054008
"1000179"	182.117576	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+2ACN+2H"	84.067652
"1593587"	365.136128	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+K+HCOOH"	84.968628
"1418154"	395.167638	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+H+CF3COOH"	115.000138
"1147102"	202.630851	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+3ACN+2H"	125.094202
"1697304"	412.194185	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+NH4+CF3COOH"	132.026685
"1645675"	417.14958	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+Na+CF3COOH"	136.98208
"1586795"	433.12352	"C17748"	"1-(34-Dihydroxyphenyl)-5-hydroxy-3-decanone"	"C16H24O4"	"280.1675"	"M+K+CF3COOH"	152.95602
"807320"	530.1788	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M"	0
"977573"	511.16041	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-H2O-H"	-19.01839
"74565"	352.445257333333	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M-3H"	-3.021828
"510844"	529.171524	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M-3H"	-3.021828
"890831"	175.718990666667	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-3H"	-3.021828
"8311"	529.171524	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M-2H"	-2.014552
"444590"	794.260924	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M-2H"	-2.014552
"820207"	264.082124	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-2H"	-2.014552
"85668"	1059.350324	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M-H"	-1.007276
"529602"	1589.529124	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M-H"	-1.007276
"900843"	529.171524	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-H"	-1.007276
"54125"	1076.376871	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M-2H+NH4"	16.019271
"500246"	1606.555671	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M-2H+NH4"	16.019271
"875863"	546.198071	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-2H+NH4"	16.019271
"41576"	1081.332266	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M-2H+Na"	20.974666
"477857"	1611.511066	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M-2H+Na"	20.974666
"860035"	551.153466	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-2H+Na"	20.974666
"1629568"	551.153466	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Na-2H"	20.974666
"102819"	547.159863	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M-H+Cl"	33.962126
"542382"	812.249263	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M-H+Cl"	33.962126
"938083"	282.070463	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-H+Cl"	33.962126
"275546"	1095.327002	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+Cl"	34.969402
"664686"	1625.505802	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+Cl"	34.969402
"1277090"	565.148202	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Cl"	34.969402
"25113"	1097.306206	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M-2H+K"	36.948606
"465767"	1627.485006	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M-2H+K"	36.948606
"841382"	567.127406	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-2H+K"	36.948606
"1565962"	567.127406	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+K-2H"	36.948606
"955668"	575.176994	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-H+HCOOH"	44.998194
"369873"	1105.355801	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+HCOOH-H"	44.998201
"352663"	1119.371451	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+Hac-H"	59.013851
"1499308"	589.192651	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Hac-H"	59.013851
"966852"	597.158951	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-H+NaCOOH"	66.980151
"117944"	565.148202	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+2Cl"	69.938804
"558599"	830.237602	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+2Cl"	69.938804
"1031773"	300.058802	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2Cl"	69.938804
"1254637"	609.097685	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Br"	78.918885
"1313804"	611.153672	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Cl+HCOOH"	80.974872
"1332398"	633.135629	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Cl+NaCOOH"	102.956829
"926973"	643.164386	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M-H+CF3COOH"	112.985586
"1304018"	679.141064	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Cl+CF3COOH"	148.962264
"1382220"	495.166124	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H-2H2O"	-35.012676
"1398060"	513.1761	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H-H2O"	-17.0027
"298523"	1061.364876	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+H"	1.007276
"691224"	1591.543676	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+H"	1.007276
"1366677"	531.186076	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H"	1.007276
"139724"	531.186076	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+2H"	2.014552
"575276"	796.275476	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+2H"	2.014552
"1043345"	266.096676	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2H"	2.014552
"215624"	354.459809333333	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+3H"	3.021828
"648623"	531.186076	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+3H"	3.021828
"1167841"	177.733542666667	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+3H"	3.021828
"434393"	1078.391423	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+NH4"	18.033823
"792111"	1608.570223	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+NH4"	18.033823
"1687348"	548.212623	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+NH4"	18.033823
"336719"	539.6993495	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+H+NH4"	19.041099
"724769"	804.7887495	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+H+NH4"	19.041099
"1485149"	274.6099495	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H+NH4"	19.041099
"395083"	1083.346818	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+Na"	22.989218
"764829"	1613.525618	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+Na"	22.989218
"1606366"	553.168018	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Na"	22.989218
"317134"	542.177047	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+H+Na"	23.996494
"712109"	807.266447	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+H+Na"	23.996494
"1470305"	277.087647	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H+Na"	23.996494
"1058081"	185.060856666667	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2H+Na"	25.00377
"1261945"	563.212286	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+CH3OH+H"	33.033486
"381615"	1099.320758	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+K"	38.963158
"742609"	1629.499558	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+K"	38.963158
"1544662"	569.141958	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+K"	38.963158
"304025"	550.164017	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+H+K"	39.970434
"695357"	815.253417	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+H+K"	39.970434
"1456827"	285.074617	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H+K"	39.970434
"247617"	1102.391426	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+ACN+H"	42.033826
"1219232"	572.212626	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+ACN+H"	42.033826
"1203116"	286.609951	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+ACN+2H"	43.041102
"193800"	1105.32876	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+2Na-H"	44.97116
"641014"	1635.50756	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+2Na-H"	44.97116
"1133580"	575.14996	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2Na-H"	44.97116
"174088"	553.168018	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+2Na"	45.978436
"612955"	818.257418	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+2Na"	45.978436
"1121044"	288.078618	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2Na"	45.978436
"1408944"	192.388170666667	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H+2Na"	46.985712
"1434502"	577.191546	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H+HCOOH"	47.012746
"220915"	558.20104	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+3H2O+2H"	56.04448
"1508606"	591.24359	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+IsoProp+H"	61.06479
"413037"	561.154988	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+Na+K"	61.952376
"770872"	826.244388	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+Na+K"	61.952376
"1665990"	296.065588	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Na+K"	61.952376
"257977"	1124.373368	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+ACN+Na"	64.015768
"1230686"	594.194568	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+ACN+Na"	64.015768
"1717384"	594.218093	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+NH4+HCOOH"	64.039293
"1183833"	199.715484666667	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+3Na"	68.967654
"1654821"	599.173488	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Na+HCOOH"	68.994688
"164961"	1137.27664	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+2K-H"	76.91904
"605613"	1667.45544	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+2K-H"	76.91904
"1094500"	607.09784	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2K-H"	76.91904
"148037"	569.141958	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"2M+2K"	77.926316
"586504"	834.231358	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"3M+2K"	77.926316
"1071017"	304.052558	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2K"	77.926316
"1101069"	609.112392	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2K+H"	78.933592
"1339524"	609.200007	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+DMSO+H"	79.021207
"1009152"	613.239176	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2ACN+H"	83.060376
"1524966"	614.232808	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+IsoProp+Na+H"	84.054008
"993727"	307.123226	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+2ACN+2H"	84.067652
"1591510"	615.147428	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+K+HCOOH"	84.968628
"1416077"	645.178938	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+H+CF3COOH"	115.000138
"1149645"	327.636501	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+3ACN+2H"	125.094202
"1697171"	662.205485	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+NH4+CF3COOH"	132.026685
"1642505"	667.16088	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+Na+CF3COOH"	136.98208
"1586905"	683.13482	"C17749"	"Curcumin monoglucoside"	"C27H30O11"	"530.1788"	"M+K+CF3COOH"	152.95602
"816506"	692.2316	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M"	0
"975131"	673.21321	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-H2O-H"	-19.01839
"70301"	460.480457333333	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M-3H"	-3.021828
"512046"	691.224324	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M-3H"	-3.021828
"890941"	229.736590666667	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-3H"	-3.021828
"8422"	691.224324	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M-2H"	-2.014552
"443972"	1037.340124	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M-2H"	-2.014552
"819587"	345.108524	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-2H"	-2.014552
"86871"	1383.455924	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M-H"	-1.007276
"530084"	2075.687524	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M-H"	-1.007276
"908608"	691.224324	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-H"	-1.007276
"61650"	1400.482471	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M-2H+NH4"	16.019271
"499994"	2092.714071	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M-2H+NH4"	16.019271
"877067"	708.250871	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-2H+NH4"	16.019271
"44971"	1405.437866	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M-2H+Na"	20.974666
"484530"	2097.669466	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M-2H+Na"	20.974666
"863062"	713.206266	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-2H+Na"	20.974666
"1632232"	713.206266	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Na-2H"	20.974666
"105117"	709.212663	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M-H+Cl"	33.962126
"544678"	1055.328463	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M-H+Cl"	33.962126
"938193"	363.096863	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-H+Cl"	33.962126
"278211"	1419.432602	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+Cl"	34.969402
"668077"	2111.664202	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+Cl"	34.969402
"1278294"	727.201002	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Cl"	34.969402
"23038"	1421.411806	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M-2H+K"	36.948606
"465879"	2113.643406	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M-2H+K"	36.948606
"844774"	729.180206	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-2H+K"	36.948606
"1570086"	729.180206	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+K-2H"	36.948606
"952863"	737.229794	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-H+HCOOH"	44.998194
"369985"	1429.461401	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+HCOOH-H"	44.998201
"353868"	1443.477051	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+Hac-H"	59.013851
"1501607"	751.245451	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Hac-H"	59.013851
"970242"	759.211751	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-H+NaCOOH"	66.980151
"119148"	727.201002	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+2Cl"	69.938804
"561990"	1073.316802	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+2Cl"	69.938804
"1036836"	381.085202	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2Cl"	69.938804
"1255116"	771.150485	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Br"	78.918885
"1315009"	773.206472	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Cl+HCOOH"	80.974872
"1333968"	795.188429	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Cl+NaCOOH"	102.956829
"926374"	805.217186	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M-H+CF3COOH"	112.985586
"1303771"	841.193864	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Cl+CF3COOH"	148.962264
"1382495"	657.218924	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H-2H2O"	-35.012676
"1398365"	675.2289	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H-H2O"	-17.0027
"298098"	1385.470476	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+H"	1.007276
"691169"	2077.702076	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+H"	1.007276
"1366787"	693.238876	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H"	1.007276
"139834"	693.238876	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+2H"	2.014552
"575386"	1039.354676	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+2H"	2.014552
"1043455"	347.123076	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2H"	2.014552
"212456"	462.495009333333	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+3H"	3.021828
"649829"	693.238876	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+3H"	3.021828
"1172325"	231.751142666667	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+3H"	3.021828
"435962"	1402.497023	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+NH4"	18.033823
"788942"	2094.728623	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+NH4"	18.033823
"1688553"	710.265423	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+NH4"	18.033823
"337923"	701.7521495	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+H+NH4"	19.041099
"733626"	1047.8679495	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+H+NH4"	19.041099
"1487446"	355.6363495	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H+NH4"	19.041099
"397380"	1407.452418	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+Na"	22.989218
"760563"	2099.684018	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+Na"	22.989218
"1607567"	715.220818	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Na"	22.989218
"318700"	704.229847	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+H+Na"	23.996494
"711125"	1050.345647	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+H+Na"	23.996494
"1467134"	358.114047	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H+Na"	23.996494
"1059284"	239.078456666667	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2H+Na"	25.00377
"1263148"	725.265086	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+CH3OH+H"	33.033486
"383912"	1423.426358	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+K"	38.963158
"745999"	2115.657958	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+K"	38.963158
"1549146"	731.194758	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+K"	38.963158
"310697"	712.216817	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+H+K"	39.970434
"695466"	1058.332617	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+H+K"	39.970434
"1456937"	366.101017	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H+K"	39.970434
"250279"	1426.497026	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+ACN+H"	42.033826
"1223717"	734.265426	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+ACN+H"	42.033826
"1207601"	367.636351	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+ACN+2H"	43.041102
"200472"	1429.43436	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+2Na-H"	44.97116
"642217"	2121.66596	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+2Na-H"	44.97116
"1136977"	737.20276	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2Na-H"	44.97116
"174804"	715.220818	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+2Na"	45.978436
"614850"	1061.336618	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+2Na"	45.978436
"1121154"	369.105018	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2Na"	45.978436
"1409055"	246.405770666667	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H+2Na"	46.985712
"1436799"	739.244346	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H+HCOOH"	47.012746
"222119"	720.25384	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+3H2O+2H"	56.04448
"1509322"	753.29639	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+IsoProp+H"	61.06479
"414240"	723.207788	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+Na+K"	61.952376
"774141"	1069.323588	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+Na+K"	61.952376
"1672661"	377.091988	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Na+K"	61.952376
"263555"	1448.478968	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+ACN+Na"	64.015768
"1235170"	756.247368	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+ACN+Na"	64.015768
"1720776"	756.270893	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+NH4+HCOOH"	64.039293
"1186131"	253.733084666667	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+3Na"	68.967654
"1662585"	761.226288	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Na+HCOOH"	68.994688
"171270"	1461.38224	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+2K-H"	76.91904
"606819"	2153.61384	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+2K-H"	76.91904
"1092425"	769.15064	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2K-H"	76.91904
"152522"	731.194758	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"2M+2K"	77.926316
"590990"	1077.310558	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"3M+2K"	77.926316
"1074408"	385.078958	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2K"	77.926316
"1103610"	771.165192	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2K+H"	78.933592
"1341820"	771.252807	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+DMSO+H"	79.021207
"1009262"	775.291976	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2ACN+H"	83.060376
"1529573"	776.285608	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+IsoProp+Na+H"	84.054008
"990796"	388.149626	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+2ACN+2H"	84.067652
"1591613"	777.200228	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+K+HCOOH"	84.968628
"1415455"	807.231738	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+H+CF3COOH"	115.000138
"1149754"	408.662901	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+3ACN+2H"	125.094202
"1699304"	824.258285	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+NH4+CF3COOH"	132.026685
"1637147"	829.21368	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+Na+CF3COOH"	136.98208
"1580454"	845.18762	"C17750"	"Curcumin diglucoside"	"C33H40O16"	"692.2316"	"M+K+CF3COOH"	152.95602
"816292"	357.106	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M"	0
"977793"	338.08761	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-H2O-H"	-19.01839
"68224"	237.063390666667	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M-3H"	-3.021828
"513250"	356.098724	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M-3H"	-3.021828
"892144"	118.028057333333	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-3H"	-3.021828
"9625"	356.098724	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M-2H"	-2.014552
"444082"	534.651724	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M-2H"	-2.014552
"823709"	177.545724	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-2H"	-2.014552
"86982"	713.204724	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M-H"	-1.007276
"532741"	1070.310724	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M-H"	-1.007276
"906531"	356.098724	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-H"	-1.007276
"60671"	730.231271	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M-2H+NH4"	16.019271
"498281"	1087.337271	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M-2H+NH4"	16.019271
"877176"	373.125271	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-2H+NH4"	16.019271
"45811"	735.186666	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M-2H+Na"	20.974666
"484639"	1092.292666	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M-2H+Na"	20.974666
"861347"	378.080666	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-2H+Na"	20.974666
"1633719"	378.080666	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Na-2H"	20.974666
"104134"	374.087063	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M-H+Cl"	33.962126
"543695"	552.640063	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M-H+Cl"	33.962126
"933928"	195.534063	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-H+Cl"	33.962126
"275762"	749.181402	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+Cl"	34.969402
"667091"	1106.287402	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+Cl"	34.969402
"1277310"	392.075402	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Cl"	34.969402
"23145"	751.160606	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M-2H+K"	36.948606
"462707"	1108.266606	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M-2H+K"	36.948606
"841603"	394.054606	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-2H+K"	36.948606
"1562904"	394.054606	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+K-2H"	36.948606
"952973"	402.104194	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-H+HCOOH"	44.998194
"369002"	759.210201	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+HCOOH-H"	44.998201
"353979"	773.225851	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+Hac-H"	59.013851
"1500623"	416.119851	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Hac-H"	59.013851
"970352"	424.086151	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-H+NaCOOH"	66.980151
"118164"	392.075402	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+2Cl"	69.938804
"558819"	570.628402	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+2Cl"	69.938804
"1036013"	213.522402	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2Cl"	69.938804
"1254857"	436.024885	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Br"	78.918885
"1315119"	438.080872	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Cl+HCOOH"	80.974872
"1332252"	460.062829	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Cl+NaCOOH"	102.956829
"925137"	470.091586	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M-H+CF3COOH"	112.985586
"1300020"	506.068264	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Cl+CF3COOH"	148.962264
"1379643"	322.093324	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H-2H2O"	-35.012676
"1394586"	340.1033	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H-H2O"	-17.0027
"294638"	715.219276	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+H"	1.007276
"688880"	1072.325276	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+H"	1.007276
"1363408"	358.113276	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H"	1.007276
"136662"	358.113276	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+2H"	2.014552
"577683"	536.666276	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+2H"	2.014552
"1043566"	179.560276	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2H"	2.014552
"209285"	239.077942666667	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+3H"	3.021828
"649936"	358.113276	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+3H"	3.021828
"1166967"	120.042609333333	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+3H"	3.021828
"430238"	732.245823	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+NH4"	18.033823
"795974"	1089.351823	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+NH4"	18.033823
"1684283"	375.139823	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+NH4"	18.033823
"329987"	366.6265495	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+H+NH4"	19.041099
"724989"	545.1795495	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+H+NH4"	19.041099
"1479901"	188.0735495	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H+NH4"	19.041099
"394453"	737.201218	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+Na"	22.989218
"756301"	1094.307218	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+Na"	22.989218
"1606585"	380.095218	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Na"	22.989218
"315895"	369.104247	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+H+Na"	23.996494
"711234"	547.657247	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+H+Na"	23.996494
"1468337"	190.551247	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H+Na"	23.996494
"1060488"	127.369923333333	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2H+Na"	25.00377
"1265445"	390.139486	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+CH3OH+H"	33.033486
"386208"	753.175158	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+K"	38.963158
"747203"	1110.281158	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+K"	38.963158
"1547069"	396.069158	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+K"	38.963158
"307526"	377.091217	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+H+K"	39.970434
"695576"	555.644217	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+H+K"	39.970434
"1450487"	198.538217	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H+K"	39.970434
"250023"	756.245826	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+ACN+H"	42.033826
"1224919"	399.139826	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+ACN+H"	42.033826
"1205524"	200.073551	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+ACN+2H"	43.041102
"201675"	759.18316	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+2Na-H"	44.97116
"639048"	1116.28916	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+2Na-H"	44.97116
"1135994"	402.07716	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2Na-H"	44.97116
"174550"	380.095218	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+2Na"	45.978436
"613216"	558.648218	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+2Na"	45.978436
"1121628"	201.542218	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2Na"	45.978436
"1412445"	134.697237333333	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H+2Na"	46.985712
"1440189"	404.118746	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H+HCOOH"	47.012746
"225509"	385.12824	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+3H2O+2H"	56.04448
"1512476"	418.17079	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+IsoProp+H"	61.06479
"414350"	388.082188	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+Na+K"	61.952376
"778625"	566.635188	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+Na+K"	61.952376
"1672771"	209.529188	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Na+K"	61.952376
"265853"	778.227768	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+ACN+Na"	64.015768
"1237467"	421.121768	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+ACN+Na"	64.015768
"1723073"	421.145293	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+NH4+HCOOH"	64.039293
"1192440"	142.024551333333	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+3Na"	68.967654
"1662695"	426.100688	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Na+HCOOH"	68.994688
"170650"	791.13104	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+2K-H"	76.91904
"608022"	1148.23704	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+2K-H"	76.91904
"1088162"	434.02504	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2K-H"	76.91904
"151539"	396.069158	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"2M+2K"	77.926316
"588913"	574.622158	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"3M+2K"	77.926316
"1072694"	217.516158	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2K"	77.926316
"1102627"	436.039592	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2K+H"	78.933592
"1340835"	436.127207	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+DMSO+H"	79.021207
"1012653"	440.166376	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2ACN+H"	83.060376
"1528590"	441.160008	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+IsoProp+Na+H"	84.054008
"993941"	220.586826	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+2ACN+2H"	84.067652
"1592820"	442.074628	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+K+HCOOH"	84.968628
"1416658"	472.106138	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+H+CF3COOH"	115.000138
"1149864"	241.100101	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+3ACN+2H"	125.094202
"1698684"	489.132685	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+NH4+CF3COOH"	132.026685
"1638350"	494.08808	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+Na+CF3COOH"	136.98208
"1580564"	510.06202	"C17751"	"cyclo-Dopa 5-O-glucoside"	"C15H19NO9"	"357.106"	"M+K+CF3COOH"	152.95602
"816159"	533.1381	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M"	0
"975716"	514.11971	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-H2O-H"	-19.01839
"68334"	354.418124	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M-3H"	-3.021828
"513360"	532.130824	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M-3H"	-3.021828
"890067"	176.705424	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-3H"	-3.021828
"9735"	532.130824	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M-2H"	-2.014552
"443099"	798.699874	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M-2H"	-2.014552
"824912"	265.561774	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-2H"	-2.014552
"87092"	1065.268924	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M-H"	-1.007276
"531032"	1598.407024	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M-H"	-1.007276
"906641"	532.130824	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-H"	-1.007276
"60656"	1082.295471	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M-2H+NH4"	16.019271
"497298"	1615.433571	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M-2H+NH4"	16.019271
"876193"	549.157371	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-2H+NH4"	16.019271
"45194"	1087.250866	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M-2H+Na"	20.974666
"482928"	1620.388966	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M-2H+Na"	20.974666
"860364"	554.112766	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-2H+Na"	20.974666
"1632815"	554.112766	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Na-2H"	20.974666
"104244"	550.119163	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M-H+Cl"	33.962126
"541617"	816.688213	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M-H+Cl"	33.962126
"934038"	283.550113	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-H+Cl"	33.962126
"275872"	1101.245602	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+Cl"	34.969402
"668292"	1634.383702	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+Cl"	34.969402
"1276325"	568.107502	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Cl"	34.969402
"19975"	1103.224806	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M-2H+K"	36.948606
"461723"	1636.362906	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M-2H+K"	36.948606
"841711"	570.086706	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-2H+K"	36.948606
"1566293"	570.086706	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+K-2H"	36.948606
"954541"	578.136294	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-H+HCOOH"	44.998194
"371298"	1111.274401	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+HCOOH-H"	44.998201
"352995"	1125.290051	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+Hac-H"	59.013851
"1501825"	592.151951	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Hac-H"	59.013851
"970462"	600.118251	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-H+NaCOOH"	66.980151
"120461"	568.107502	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+2Cl"	69.938804
"560023"	834.676552	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+2Cl"	69.938804
"1034298"	301.538452	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2Cl"	69.938804
"1252780"	612.056985	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Br"	78.918885
"1315229"	614.112972	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Cl+HCOOH"	80.974872
"1333823"	636.094929	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Cl+NaCOOH"	102.956829
"924884"	646.123686	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M-H+CF3COOH"	112.985586
"1299401"	682.100364	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Cl+CF3COOH"	148.962264
"1379753"	498.125424	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H-2H2O"	-35.012676
"1395061"	516.1354	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H-H2O"	-17.0027
"295841"	1067.283476	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+H"	1.007276
"687897"	1600.421576	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+H"	1.007276
"1364246"	534.145376	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H"	1.007276
"136041"	534.145376	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+2H"	2.014552
"577429"	800.714426	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+2H"	2.014552
"1043676"	267.576326	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2H"	2.014552
"210488"	356.432676	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+3H"	3.021828
"646037"	534.145376	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+3H"	3.021828
"1165982"	178.719976	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+3H"	3.021828
"428160"	1084.310023	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+NH4"	18.033823
"792438"	1617.448123	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+NH4"	18.033823
"1682570"	551.171923	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+NH4"	18.033823
"330526"	542.6586495	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+H+NH4"	19.041099
"723027"	809.2276995	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+H+NH4"	19.041099
"1477212"	276.0895995	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H+NH4"	19.041099
"395414"	1089.265418	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+Na"	22.989218
"756410"	1622.403518	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+Na"	22.989218
"1605237"	556.127318	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Na"	22.989218
"316004"	545.136347	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+H+Na"	23.996494
"710979"	811.705397	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+H+Na"	23.996494
"1466261"	278.567297	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H+Na"	23.996494
"1060598"	186.04729	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2H+Na"	25.00377
"1265555"	566.171586	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+CH3OH+H"	33.033486
"385225"	1105.239358	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+K"	38.963158
"745126"	1638.377458	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+K"	38.963158
"1547179"	572.101258	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+K"	38.963158
"307636"	553.123317	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+H+K"	39.970434
"693863"	819.692367	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+H+K"	39.970434
"1451690"	286.554267	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H+K"	39.970434
"247946"	1108.310026	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+ACN+H"	42.033826
"1221749"	575.171926	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+ACN+H"	42.033826
"1201259"	288.089601	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+ACN+2H"	43.041102
"196317"	1111.24736	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+2Na-H"	44.97116
"636970"	1644.38546	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+2Na-H"	44.97116
"1132818"	578.10926	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2Na-H"	44.97116
"172886"	556.127318	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+2Na"	45.978436
"613116"	822.696368	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+2Na"	45.978436
"1122102"	289.558268	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2Na"	45.978436
"1408543"	193.374604	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H+2Na"	46.985712
"1440299"	580.150846	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H+HCOOH"	47.012746
"225619"	561.16034	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+3H2O+2H"	56.04448
"1514773"	594.20289	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+IsoProp+H"	61.06479
"414459"	564.114288	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+Na+K"	61.952376
"778735"	830.683338	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+Na+K"	61.952376
"1671784"	297.545238	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Na+K"	61.952376
"264140"	1130.291968	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+ACN+Na"	64.015768
"1236484"	597.153868	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+ACN+Na"	64.015768
"1725370"	597.177393	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+NH4+HCOOH"	64.039293
"1191821"	200.701918	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+3Na"	68.967654
"1662805"	602.132788	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Na+HCOOH"	68.994688
"167478"	1143.19524	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+2K-H"	76.91904
"608131"	1676.33334	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+2K-H"	76.91904
"1089365"	610.05714	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2K-H"	76.91904
"146181"	572.101258	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"2M+2K"	77.926316
"587930"	838.670308	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"3M+2K"	77.926316
"1070981"	305.532208	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2K"	77.926316
"1103466"	612.071692	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2K+H"	78.933592
"1339851"	612.159307	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+DMSO+H"	79.021207
"1012763"	616.198476	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2ACN+H"	83.060376
"1529793"	617.192108	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+IsoProp+Na+H"	84.054008
"994051"	308.602876	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+2ACN+2H"	84.067652
"1592930"	618.106728	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+K+HCOOH"	84.968628
"1417497"	648.138238	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+H+CF3COOH"	115.000138
"1148881"	329.116151	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+3ACN+2H"	125.094202
"1698794"	665.164785	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+NH4+CF3COOH"	132.026685
"1637367"	670.12018	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+Na+CF3COOH"	136.98208
"1580674"	686.09412	"C17752"	"cyclo-Dopa-glucuronylglucoside"	"C21H27NO15"	"533.1381"	"M+K+CF3COOH"	152.95602
"815783"	388.0907	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M"	0
"979106"	369.07231	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-H2O-H"	-19.01839
"71724"	257.719857333333	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M-3H"	-3.021828
"513470"	387.083424	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M-3H"	-3.021828
"891272"	128.356290666667	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-3H"	-3.021828
"9849"	387.083424	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M-2H"	-2.014552
"453419"	581.128774	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M-2H"	-2.014552
"828308"	193.038074	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-2H"	-2.014552
"90488"	775.174124	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M-H"	-1.007276
"528955"	1163.264824	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M-H"	-1.007276
"905663"	387.083424	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-H"	-1.007276
"57848"	792.200671	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M-2H+NH4"	16.019271
"497409"	1180.291371	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M-2H+NH4"	16.019271
"871930"	404.109971	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-2H+NH4"	16.019271
"43844"	797.156066	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M-2H+Na"	20.974666
"485230"	1185.246766	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M-2H+Na"	20.974666
"861934"	409.065366	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-2H+Na"	20.974666
"1627823"	409.065366	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Na-2H"	20.974666
"103260"	405.071763	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M-H+Cl"	33.962126
"541727"	599.117113	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M-H+Cl"	33.962126
"936335"	211.026413	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-H+Cl"	33.962126
"277807"	811.150802	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+Cl"	34.969402
"666218"	1199.241502	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+Cl"	34.969402
"1279716"	423.060102	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Cl"	34.969402
"22272"	813.130006	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M-2H+K"	36.948606
"466937"	1201.220706	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M-2H+K"	36.948606
"845831"	425.039306	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-2H+K"	36.948606
"1566405"	425.039306	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+K-2H"	36.948606
"954652"	433.088894	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-H+HCOOH"	44.998194
"371406"	821.179601	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+HCOOH-H"	44.998201
"357481"	835.195251	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+Hac-H"	59.013851
"1500845"	447.104551	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Hac-H"	59.013851
"970210"	455.070851	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-H+NaCOOH"	66.980151
"119477"	423.060102	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+2Cl"	69.938804
"560133"	617.105452	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+2Cl"	69.938804
"1031123"	229.014752	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2Cl"	69.938804
"1253987"	467.009585	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Br"	78.918885
"1319756"	469.065572	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Cl+HCOOH"	80.974872
"1333202"	491.047529	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Cl+NaCOOH"	102.956829
"925602"	501.076286	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M-H+CF3COOH"	112.985586
"1299147"	537.052964	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Cl+CF3COOH"	148.962264
"1381686"	353.078024	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H-2H2O"	-35.012676
"1397483"	371.088	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H-H2O"	-17.0027
"297655"	777.188676	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+H"	1.007276
"688372"	1165.279376	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+H"	1.007276
"1366792"	389.097976	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H"	1.007276
"136882"	389.097976	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+2H"	2.014552
"577903"	583.143326	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+2H"	2.014552
"1043786"	195.052626	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2H"	2.014552
"211691"	259.734409333333	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+3H"	3.021828
"647971"	389.097976	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+3H"	3.021828
"1170466"	130.370842666667	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+3H"	3.021828
"431552"	794.215223	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+NH4"	18.033823
"791454"	1182.305923	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+NH4"	18.033823
"1683412"	406.124523	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+NH4"	18.033823
"330718"	397.6112495	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+H+NH4"	19.041099
"723176"	591.6565995	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+H+NH4"	19.041099
"1480122"	203.5658995	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H+NH4"	19.041099
"397712"	799.170618	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+Na"	22.989218
"756884"	1187.261318	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+Na"	22.989218
"1606076"	411.079918	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Na"	22.989218
"317575"	400.088947	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+H+Na"	23.996494
"710361"	594.134297	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+H+Na"	23.996494
"1467464"	206.043597	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H+Na"	23.996494
"1059614"	137.698156666667	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2H+Na"	25.00377
"1262385"	421.124186	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+CH3OH+H"	33.033486
"385335"	815.144558	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+K"	38.963158
"747424"	1203.235258	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+K"	38.963158
"1549476"	427.053858	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+K"	38.963158
"310661"	408.075917	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+H+K"	39.970434
"694703"	602.121267	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+H+K"	39.970434
"1450708"	214.030567	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H+K"	39.970434
"246963"	818.215226	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+ACN+H"	42.033826
"1220768"	430.124526	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+ACN+H"	42.033826
"1205744"	215.565901	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+ACN+2H"	43.041102
"195335"	821.15256	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+2Na-H"	44.97116
"642184"	1209.24326	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+2Na-H"	44.97116
"1133659"	433.06186	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2Na-H"	44.97116
"173023"	411.079918	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+2Na"	45.978436
"614321"	605.125268	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+2Na"	45.978436
"1117228"	217.034568	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2Na"	45.978436
"1408289"	145.025470666667	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H+2Na"	46.985712
"1441503"	435.103446	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H+HCOOH"	47.012746
"229009"	416.11294	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+3H2O+2H"	56.04448
"1517070"	449.15549	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+IsoProp+H"	61.06479
"414569"	419.066888	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+Na+K"	61.952376
"783221"	613.112238	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+Na+K"	61.952376
"1677365"	225.021538	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Na+K"	61.952376
"261698"	840.197168	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+ACN+Na"	64.015768
"1237689"	452.106468	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+ACN+Na"	64.015768
"1722202"	452.129993	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+NH4+HCOOH"	64.039293
"1186463"	152.352784666667	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+3Na"	68.967654
"1663645"	457.085388	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Na+HCOOH"	68.994688
"169777"	853.10044	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+2K-H"	76.91904
"609337"	1241.19114	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+2K-H"	76.91904
"1094943"	465.00974	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2K-H"	76.91904
"148479"	427.053858	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"2M+2K"	77.926316
"589134"	621.099208	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"3M+2K"	77.926316
"1076924"	233.008508	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2K"	77.926316
"1102850"	467.024292	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2K+H"	78.933592
"1336803"	467.111907	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+DMSO+H"	79.021207
"1011780"	471.151076	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2ACN+H"	83.060376
"1532090"	472.144708	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+IsoProp+Na+H"	84.054008
"995258"	236.079176	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+2ACN+2H"	84.067652
"1594135"	473.059328	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+K+HCOOH"	84.968628
"1419794"	503.090838	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+H+CF3COOH"	115.000138
"1157738"	256.592451	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+3ACN+2H"	125.094202
"1705102"	520.117385	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+NH4+CF3COOH"	132.026685
"1637477"	525.07278	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+Na+CF3COOH"	136.98208
"1573124"	541.04672	"C17753"	"Dopaxanthin quinone"	"C18H16N2O8"	"388.0907"	"M+K+CF3COOH"	152.95602
"814434"	360.1321	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M"	0
"979216"	341.11371	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-H2O-H"	-19.01839
"71834"	239.080790666667	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M-3H"	-3.021828
"509207"	359.124824	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M-3H"	-3.021828
"892476"	119.036757333333	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-3H"	-3.021828
"9959"	359.124824	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M-2H"	-2.014552
"453893"	539.190874	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M-2H"	-2.014552
"828416"	179.058774	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-2H"	-2.014552
"90960"	719.256924	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M-H"	-1.007276
"529430"	1079.389024	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M-H"	-1.007276
"907959"	359.124824	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-H"	-1.007276
"56865"	736.283471	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M-2H+NH4"	16.019271
"495332"	1096.415571	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M-2H+NH4"	16.019271
"872040"	376.151371	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-2H+NH4"	16.019271
"43593"	741.238866	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M-2H+Na"	20.974666
"483515"	1101.370966	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M-2H+Na"	20.974666
"862047"	381.106766	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-2H+Na"	20.974666
"1628665"	381.106766	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Na-2H"	20.974666
"105193"	377.113163	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M-H+Cl"	33.962126
"540744"	557.179213	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M-H+Cl"	33.962126
"937175"	197.047113	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-H+Cl"	33.962126
"279012"	755.233602	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+Cl"	34.969402
"672524"	1115.365702	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+Cl"	34.969402
"1282013"	395.101502	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Cl"	34.969402
"25663"	757.212806	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M-2H+K"	36.948606
"468504"	1117.344906	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M-2H+K"	36.948606
"844118"	397.080706	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-2H+K"	36.948606
"1568700"	397.080706	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+K-2H"	36.948606
"956586"	405.130294	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-H+HCOOH"	44.998194
"374070"	765.262401	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+HCOOH-H"	44.998201
"357226"	779.278051	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+Hac-H"	59.013851
"1504601"	419.145951	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Hac-H"	59.013851
"973003"	427.112251	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-H+NaCOOH"	66.980151
"122876"	395.101502	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+2Cl"	69.938804
"562432"	575.167552	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+2Cl"	69.938804
"1031599"	215.035452	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2Cl"	69.938804
"1255556"	439.050985	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Br"	78.918885
"1319830"	441.106972	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Cl+HCOOH"	80.974872
"1334165"	463.088929	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Cl+NaCOOH"	102.956829
"925101"	473.117686	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M-H+CF3COOH"	112.985586
"1302173"	509.094364	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Cl+CF3COOH"	148.962264
"1378514"	325.119424	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H-2H2O"	-35.012676
"1398180"	343.1294	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H-H2O"	-17.0027
"297154"	721.271476	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+H"	1.007276
"690998"	1081.403576	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+H"	1.007276
"1365926"	361.139376	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H"	1.007276
"141003"	361.139376	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+2H"	2.014552
"578377"	541.205426	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+2H"	2.014552
"1044989"	181.073326	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2H"	2.014552
"210708"	241.095342666667	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+3H"	3.021828
"649174"	361.139376	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+3H"	3.021828
"1175316"	121.051309333333	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+3H"	3.021828
"435672"	738.298023	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+NH4"	18.033823
"795939"	1098.430123	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+NH4"	18.033823
"1687897"	378.165923	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+NH4"	18.033823
"332894"	369.6526495	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+H+NH4"	19.041099
"723860"	549.7186995	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+H+NH4"	19.041099
"1481326"	189.5865995	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H+NH4"	19.041099
"394542"	743.253418	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+Na"	22.989218
"758817"	1103.385518	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+Na"	22.989218
"1608007"	383.121318	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Na"	22.989218
"320237"	372.130347	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+H+Na"	23.996494
"713751"	552.196397	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+H+Na"	23.996494
"1469760"	192.064297	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H+Na"	23.996494
"1058631"	128.378623333333	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2H+Na"	25.00377
"1263588"	393.165586	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+CH3OH+H"	33.033486
"387632"	759.227358	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+K"	38.963158
"746441"	1119.359458	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+K"	38.963158
"1549586"	399.095258	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+K"	38.963158
"311137"	380.117317	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+H+K"	39.970434
"694813"	560.183367	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+H+K"	39.970434
"1450817"	200.051267	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H+K"	39.970434
"250354"	762.298026	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+ACN+H"	42.033826
"1223066"	402.165926	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+ACN+H"	42.033826
"1205854"	201.586601	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+ACN+2H"	43.041102
"194352"	765.23536	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+2Na-H"	44.97116
"635004"	1125.36746	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+2Na-H"	44.97116
"1134136"	405.10326	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2Na-H"	44.97116
"173497"	383.121318	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+2Na"	45.978436
"613824"	563.187368	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+2Na"	45.978436
"1118310"	203.055268	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2Na"	45.978436
"1408399"	135.705937333333	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H+2Na"	46.985712
"1436146"	407.144846	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H+HCOOH"	47.012746
"228026"	388.15434	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+3H2O+2H"	56.04448
"1512077"	421.19689	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+IsoProp+H"	61.06479
"414680"	391.108288	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+Na+K"	61.952376
"782238"	571.174338	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+Na+K"	61.952376
"1676382"	211.042238	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Na+K"	61.952376
"264725"	784.279968	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+ACN+Na"	64.015768
"1238892"	424.147868	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+ACN+Na"	64.015768
"1719033"	424.171393	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+NH4+HCOOH"	64.039293
"1188760"	143.033251333333	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+3Na"	68.967654
"1663998"	429.126788	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Na+HCOOH"	68.994688
"168794"	797.18324	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+2K-H"	76.91904
"609447"	1157.31534	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+2K-H"	76.91904
"1095054"	437.05114	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2K-H"	76.91904
"149683"	399.095258	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"2M+2K"	77.926316
"592524"	579.161308	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"3M+2K"	77.926316
"1079222"	219.029208	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2K"	77.926316
"1102592"	439.065692	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2K+H"	78.933592
"1336911"	439.153307	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+DMSO+H"	79.021207
"1008607"	443.192476	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2ACN+H"	83.060376
"1534388"	444.186108	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+IsoProp+Na+H"	84.054008
"999743"	222.099876	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+2ACN+2H"	84.067652
"1594245"	445.100728	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+K+HCOOH"	84.968628
"1422092"	475.132238	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+H+CF3COOH"	115.000138
"1154568"	242.613151	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+3ACN+2H"	125.094202
"1705212"	492.158785	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+NH4+CF3COOH"	132.026685
"1635153"	497.11418	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+Na+CF3COOH"	136.98208
"1571491"	513.08812	"C17754"	"3-Methoxytyramine-betaxanthin"	"C18H20N2O6"	"360.1321"	"M+K+CF3COOH"	152.95602
"814544"	151.0633	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M"	0
"976410"	132.04491	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"71944"	99.7015906666667	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"509317"	150.056024	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"892586"	49.3471573333333	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"10069"	150.056024	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"454003"	225.587674	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"828526"	74.524374	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"91434"	301.119324	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"529174"	452.182624	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"905882"	150.056024	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"55882"	318.145871	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"494349"	469.209171	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"873243"	167.082571	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"45889"	323.101266	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"485446"	474.164566	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"861425"	172.037966	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1632782"	172.037966	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"106761"	168.044363	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"544134"	243.576013	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"938742"	92.512713	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"280215"	337.096002	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"668623"	488.159302	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1278843"	186.032702	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"25773"	339.075206	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"468250"	490.138506	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"842041"	188.011906	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1566623"	188.011906	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"956331"	196.061494	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"374544"	347.124801	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"356607"	361.140451	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1504711"	210.077151	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"972988"	218.043451	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"123717"	186.032702	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"562541"	261.564352	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1032073"	110.501052	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1252019"	229.982185	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1319089"	232.038172	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1330504"	254.020129	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"918651"	264.048886	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1295356"	300.025564	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1377895"	116.050624	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1396120"	134.0606	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"295806"	303.133876	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"687498"	454.197176	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1361661"	152.070576	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"135278"	152.070576	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"577026"	227.602226	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1046191"	76.538926	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"212998"	101.716142666667	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"650374"	152.070576	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1169593"	51.3617093333333	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"432866"	320.160423	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"787301"	471.223723	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1685820"	169.097123	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"331911"	160.5838495	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"723483"	236.1154995	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1481436"	85.0521995	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"397567"	325.115818	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"757105"	476.179118	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1607024"	174.052518	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"320347"	163.061547	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"710215"	238.593197	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1467678"	87.529897	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1057646"	58.6890233333333	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1264791"	184.096786	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"385554"	341.089758	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"747644"	492.153058	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1545324"	190.026458	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"309059"	171.048517	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"694922"	246.580167	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1448741"	95.516867	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"247184"	344.160426	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1220987"	193.097126	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1202683"	97.052201	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"192275"	347.09776	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"631834"	498.16106	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1132787"	196.03446	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"173525"	174.052518	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"612843"	249.584168	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1117690"	98.520868	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1408509"	66.0163373333333	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1437349"	198.076046	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"224126"	179.08554	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1512187"	212.12809	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"414790"	182.039488	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"781254"	257.571138	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1677585"	106.507838	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"265078"	366.142368	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1237909"	215.079068	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1720236"	215.102593	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1187776"	73.3436513333333	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1664229"	220.057988	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"163437"	379.04564	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"611623"	530.10894	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1092977"	227.98234	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"150886"	190.026458	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"592634"	265.558108	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1081519"	114.494808	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1101973"	229.996892	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1336658"	230.084507	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1008717"	234.123676	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1532312"	235.117308	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"999853"	117.565476	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1594355"	236.031928	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1421109"	266.063438	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1154678"	138.078751	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1705322"	283.089985	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1634899"	288.04538	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1571641"	304.01932	"C17755"	"Dopamine quinone"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"815748"	151.0633	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M"	0
"981623"	132.04491	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"74241"	99.7015906666667	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"517448"	150.056024	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"894398"	49.3471573333333	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"11273"	150.056024	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"450835"	225.587674	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"830823"	74.524374	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"92273"	301.119324	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"528191"	452.182624	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"904899"	150.056024	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"54899"	318.145871	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"493366"	469.209171	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"870074"	167.082571	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"46689"	323.101266	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"485556"	474.164566	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"861535"	172.037966	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1629246"	172.037966	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"105778"	168.044363	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"544245"	243.576013	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"937758"	92.512713	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"278501"	337.096002	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"667640"	488.159302	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1282233"	186.032702	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"24790"	339.075206	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"468724"	490.138506	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"843246"	188.011906	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1567826"	188.011906	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"954618"	196.061494	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"376891"	347.124801	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"356717"	361.140451	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1502268"	210.077151	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"967622"	218.043451	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"123097"	186.032702	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"563388"	261.564352	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1031453"	110.501052	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1251036"	229.982185	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1316402"	232.038172	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1329885"	254.020129	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"919854"	264.048886	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1293280"	300.025564	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1378005"	116.050624	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1393314"	134.0606	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"290812"	303.133876	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"686515"	454.197176	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1358855"	152.070576	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"136847"	152.070576	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"574951"	227.602226	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1048853"	76.538926	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"212015"	101.716142666667	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"646475"	152.070576	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1162783"	51.3617093333333	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"425323"	320.160423	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"789598"	471.223723	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1681547"	169.097123	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"330561"	160.5838495	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"725904"	236.1154995	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1478266"	85.0521995	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"399501"	325.115818	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"757215"	476.179118	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1603854"	174.052518	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"317174"	163.061547	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"709231"	238.593197	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1466696"	87.529897	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1058849"	58.6890233333333	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1261621"	184.096786	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"385664"	341.089758	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"745566"	492.153058	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1547621"	190.026458	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"309170"	171.048517	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"697218"	246.580167	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1453227"	95.516867	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"242922"	344.160426	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1216724"	193.097126	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1199514"	97.052201	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"192385"	347.09776	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"631944"	498.16106	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1131839"	196.03446	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"172984"	174.052518	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"613313"	249.584168	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1118167"	98.520868	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1406795"	66.0163373333333	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1437459"	198.076046	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"227153"	179.08554	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1514122"	212.12809	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"417089"	182.039488	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"778084"	257.571138	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1674416"	106.507838	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"260935"	366.142368	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1236925"	215.079068	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1721439"	215.102593	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1185700"	73.3436513333333	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1661058"	220.057988	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"163548"	379.04564	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"607481"	530.10894	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1093087"	227.98234	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"149903"	190.026458	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"591651"	265.558108	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1079442"	114.494808	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1102814"	229.996892	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1336525"	230.084507	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1008827"	234.123676	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1533515"	235.117308	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"999963"	117.565476	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1594465"	236.031928	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1421219"	266.063438	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1158069"	138.078751	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1705434"	283.089985	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1635616"	288.04538	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1572363"	304.01932	"C17756"	"2-Descarboxy-cyclo-dopa;Indoline-56-diol;56-Indolinediol"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"816349"	345.1087	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M"	0
"987203"	326.09031	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-H2O-H"	-19.01839
"75447"	229.065190666667	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M-3H"	-3.021828
"517193"	344.101424	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M-3H"	-3.021828
"886249"	114.028957333333	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-3H"	-3.021828
"10289"	344.101424	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M-2H"	-2.014552
"450942"	516.655774	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M-2H"	-2.014552
"830935"	171.547074	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-2H"	-2.014552
"79869"	689.210124	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M-H"	-1.007276
"529393"	1034.318824	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M-H"	-1.007276
"909385"	344.101424	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-H"	-1.007276
"61089"	706.236671	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M-2H+NH4"	16.019271
"494571"	1051.345371	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M-2H+NH4"	16.019271
"877476"	361.127971	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-2H+NH4"	16.019271
"45743"	711.192066	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M-2H+Na"	20.974666
"484209"	1056.300766	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M-2H+Na"	20.974666
"862014"	366.083366	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-2H+Na"	20.974666
"1630452"	366.083366	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Na-2H"	20.974666
"103702"	362.089763	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M-H+Cl"	33.962126
"541076"	534.644113	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M-H+Cl"	33.962126
"939693"	189.535413	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-H+Cl"	33.962126
"279343"	725.186802	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+Cl"	34.969402
"670304"	1070.295502	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+Cl"	34.969402
"1281252"	380.078102	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Cl"	34.969402
"27817"	727.166006	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M-2H+K"	36.948606
"465191"	1072.274706	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M-2H+K"	36.948606
"840077"	382.057306	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-2H+K"	36.948606
"1562470"	382.057306	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+K-2H"	36.948606
"955457"	390.106894	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-H+HCOOH"	44.998194
"371849"	735.215601	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+HCOOH-H"	44.998201
"356827"	749.231251	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+Hac-H"	59.013851
"1504201"	404.122551	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Hac-H"	59.013851
"971748"	412.088851	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-H+NaCOOH"	66.980151
"122473"	380.078102	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+2Cl"	69.938804
"564226"	552.632452	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+2Cl"	69.938804
"1030470"	207.523752	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2Cl"	69.938804
"1254066"	424.027585	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Br"	78.918885
"1316879"	426.083572	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Cl+HCOOH"	80.974872
"1329996"	448.065529	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Cl+NaCOOH"	102.956829
"918870"	458.094286	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M-H+CF3COOH"	112.985586
"1293390"	494.070964	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Cl+CF3COOH"	148.962264
"1372648"	310.096024	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H-2H2O"	-35.012676
"1394882"	328.106	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H-H2O"	-17.0027
"295662"	691.224676	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+H"	1.007276
"686261"	1036.333376	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+H"	1.007276
"1359329"	346.115976	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H"	1.007276
"134404"	346.115976	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+2H"	2.014552
"574696"	518.670326	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+2H"	2.014552
"1049328"	173.561626	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2H"	2.014552
"208846"	231.079742666667	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+3H"	3.021828
"647314"	346.115976	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+3H"	3.021828
"1163039"	116.043509333333	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+3H"	3.021828
"425433"	708.251223	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+NH4"	18.033823
"786428"	1053.359923	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+NH4"	18.033823
"1681575"	363.142523	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+NH4"	18.033823
"331037"	354.6292495	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+H+NH4"	19.041099
"726743"	527.1835995	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+H+NH4"	19.041099
"1481656"	182.0748995	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H+NH4"	19.041099
"399246"	713.206618	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+Na"	22.989218
"761334"	1058.315318	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+Na"	22.989218
"1604329"	368.097918	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Na"	22.989218
"315463"	357.106947	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+H+Na"	23.996494
"709341"	529.661297	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+H+Na"	23.996494
"1466806"	184.552597	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H+Na"	23.996494
"1058959"	123.370823333333	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2H+Na"	25.00377
"1263917"	378.142186	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+CH3OH+H"	33.033486
"383588"	729.180558	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+K"	38.963158
"744583"	1074.289258	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+K"	38.963158
"1546638"	384.071858	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+K"	38.963158
"307093"	365.093917	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+H+K"	39.970434
"696235"	537.648267	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+H+K"	39.970434
"1450056"	192.539567	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H+K"	39.970434
"240843"	732.251226	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+ACN+H"	42.033826
"1214646"	387.142526	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+ACN+H"	42.033826
"1198531"	194.074901	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+ACN+2H"	43.041102
"191402"	735.18856	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+2Na-H"	44.97116
"635335"	1080.29726	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+2Na-H"	44.97116
"1131788"	390.07986	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2Na-H"	44.97116
"173091"	368.097918	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+2Na"	45.978436
"612856"	540.652268	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+2Na"	45.978436
"1120465"	195.543568	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2Na"	45.978436
"1409824"	130.698137333333	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H+2Na"	46.985712
"1443038"	392.121446	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H+HCOOH"	47.012746
"229452"	373.13094	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+3H2O+2H"	56.04448
"1520794"	406.17349	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+IsoProp+H"	61.06479
"419386"	376.084888	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+Na+K"	61.952376
"780382"	548.639238	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+Na+K"	61.952376
"1677807"	203.530538	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Na+K"	61.952376
"265422"	754.233168	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+ACN+Na"	64.015768
"1238130"	409.124468	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+ACN+Na"	64.015768
"1724830"	409.147993	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+NH4+HCOOH"	64.039293
"1190185"	138.025451333333	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+3Na"	68.967654
"1657889"	414.103388	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Na+HCOOH"	68.994688
"164752"	767.13644	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+2K-H"	76.91904
"604311"	1112.24514	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+2K-H"	76.91904
"1088822"	422.02774	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2K-H"	76.91904
"147827"	384.071858	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"2M+2K"	77.926316
"587387"	556.626208	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"3M+2K"	77.926316
"1071899"	211.517508	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2K"	77.926316
"1101833"	424.042292	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2K+H"	78.933592
"1338218"	424.129907	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+DMSO+H"	79.021207
"1014405"	428.169076	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2ACN+H"	83.060376
"1533625"	429.162708	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+IsoProp+Na+H"	84.054008
"1001166"	214.588176	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+2ACN+2H"	84.067652
"1597857"	430.077328	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+K+HCOOH"	84.968628
"1422422"	460.108838	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+H+CF3COOH"	115.000138
"1158179"	235.101451	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+3ACN+2H"	125.094202
"1709918"	477.135385	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+NH4+CF3COOH"	132.026685
"1640100"	482.09078	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+Na+CF3COOH"	136.98208
"1571420"	498.06472	"C17757"	"2-Descarboxy-betanidin"	"C17H17N2O6"	"345.1087"	"M+K+CF3COOH"	152.95602
"815968"	229.0586	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M"	0
"981845"	210.04021	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-H2O-H"	-19.01839
"73369"	151.698457333333	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M-3H"	-3.021828
"516209"	228.051324	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M-3H"	-3.021828
"883079"	75.3455906666667	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-3H"	-3.021828
"7119"	228.051324	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M-2H"	-2.014552
"447772"	342.580624	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M-2H"	-2.014552
"828857"	113.522024	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-2H"	-2.014552
"88850"	457.109924	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M-H"	-1.007276
"527316"	686.168524	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M-H"	-1.007276
"909374"	228.051324	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-H"	-1.007276
"60223"	474.136471	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M-2H+NH4"	16.019271
"493586"	703.195071	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M-2H+NH4"	16.019271
"877950"	245.077871	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-2H+NH4"	16.019271
"45125"	479.091866	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M-2H+Na"	20.974666
"485047"	708.150466	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M-2H+Na"	20.974666
"859938"	250.033266	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-2H+Na"	20.974666
"1630562"	250.033266	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Na-2H"	20.974666
"105633"	246.039663	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M-H+Cl"	33.962126
"542278"	360.568963	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M-H+Cl"	33.962126
"938346"	131.510363	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-H+Cl"	33.962126
"279089"	493.086602	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+Cl"	34.969402
"670415"	722.145202	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+Cl"	34.969402
"1282089"	264.028002	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Cl"	34.969402
"24282"	495.065806	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M-2H+K"	36.948606
"463477"	724.124406	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M-2H+K"	36.948606
"841279"	266.007206	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-2H+K"	36.948606
"1566953"	266.007206	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+K-2H"	36.948606
"954472"	274.056794	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-H+HCOOH"	44.998194
"370865"	503.115401	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+HCOOH-H"	44.998201
"358761"	517.131051	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+Hac-H"	59.013851
"1502488"	288.072451	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Hac-H"	59.013851
"972219"	296.038751	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-H+NaCOOH"	66.980151
"122947"	264.028002	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+2Cl"	69.938804
"563972"	378.557302	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+2Cl"	69.938804
"1030581"	149.498702	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2Cl"	69.938804
"1249074"	307.977485	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Br"	78.918885
"1316624"	310.033472	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Cl+HCOOH"	80.974872
"1327919"	332.015429	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Cl+NaCOOH"	102.956829
"918980"	342.044186	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M-H+CF3COOH"	112.985586
"1300061"	378.020864	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Cl+CF3COOH"	148.962264
"1372758"	194.045924	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H-2H2O"	-35.012676
"1394627"	212.0559	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H-H2O"	-17.0027
"296136"	459.124476	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+H"	1.007276
"685640"	688.183076	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+H"	1.007276
"1361626"	230.065876	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H"	1.007276
"137065"	230.065876	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+2H"	2.014552
"578452"	344.595176	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+2H"	2.014552
"1050898"	115.536576	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2H"	2.014552
"212236"	153.713009333333	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+3H"	3.021828
"652891"	230.065876	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+3H"	3.021828
"1165549"	77.3601426666667	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+3H"	3.021828
"425543"	476.151023	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+NH4"	18.033823
"786659"	705.209623	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+NH4"	18.033823
"1681649"	247.092423	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+NH4"	18.033823
"330779"	238.5791495	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+H+NH4"	19.041099
"726124"	353.1084495	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+H+NH4"	19.041099
"1483953"	124.0498495	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H+NH4"	19.041099
"400449"	481.106418	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+Na"	22.989218
"762537"	710.165018	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+Na"	22.989218
"1604802"	252.047818	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Na"	22.989218
"315936"	241.056847	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+H+Na"	23.996494
"711275"	355.586147	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+H+Na"	23.996494
"1468374"	126.527547	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H+Na"	23.996494
"1059068"	84.6874566666667	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2H+Na"	25.00377
"1264028"	262.092086	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+CH3OH+H"	33.033486
"383698"	497.080358	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+K"	38.963158
"744693"	726.138958	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+K"	38.963158
"1550029"	268.021758	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+K"	38.963158
"308298"	249.043817	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+H+K"	39.970434
"697440"	363.573117	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+H+K"	39.970434
"1450166"	134.514517	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H+K"	39.970434
"240953"	500.151026	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+ACN+H"	42.033826
"1214756"	271.092426	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+ACN+H"	42.033826
"1196454"	136.049851	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+ACN+2H"	43.041102
"194792"	503.08836	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+2Na-H"	44.97116
"632165"	732.14696	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+2Na-H"	44.97116
"1131433"	274.02976	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2Na-H"	44.97116
"173169"	252.047818	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+2Na"	45.978436
"612887"	366.577118	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+2Na"	45.978436
"1118753"	137.518518	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2Na"	45.978436
"1411027"	92.0147706666667	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H+2Na"	46.985712
"1443999"	276.071346	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H+HCOOH"	47.012746
"228469"	257.08084	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+3H2O+2H"	56.04448
"1518717"	290.12339	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+IsoProp+H"	61.06479
"419132"	260.034788	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+Na+K"	61.952376
"782680"	374.564088	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+Na+K"	61.952376
"1677917"	145.505488	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Na+K"	61.952376
"265530"	522.132968	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+ACN+Na"	64.015768
"1239333"	293.074368	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+ACN+Na"	64.015768
"1725674"	293.097893	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+NH4+HCOOH"	64.039293
"1190294"	99.3420846666667	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+3Na"	68.967654
"1659092"	298.053288	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Na+HCOOH"	68.994688
"163768"	535.03624	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+2K-H"	76.91904
"603327"	764.09484	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+2K-H"	76.91904
"1087840"	305.97764	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2K-H"	76.91904
"145750"	268.021758	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"2M+2K"	77.926316
"586403"	382.551058	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"3M+2K"	77.926316
"1073103"	153.492458	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2K"	77.926316
"1100282"	307.992192	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2K+H"	78.933592
"1335815"	308.079807	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+DMSO+H"	79.021207
"1006860"	312.118976	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2ACN+H"	83.060376
"1528266"	313.112608	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+IsoProp+Na+H"	84.054008
"1000183"	156.563126	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+2ACN+2H"	84.067652
"1593592"	314.027228	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+K+HCOOH"	84.968628
"1423626"	344.058738	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+H+CF3COOH"	115.000138
"1156103"	177.076401	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+3ACN+2H"	125.094202
"1706748"	361.085285	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+NH4+CF3COOH"	132.026685
"1643490"	366.04068	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+Na+CF3COOH"	136.98208
"1571446"	382.01462	"C17758"	"45-seco-Dopa"	"C9H11NO6"	"229.0586"	"M+K+CF3COOH"	152.95602
"816967"	356.1107	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M"	0
"984144"	337.09231	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-H2O-H"	-19.01839
"71294"	236.399857333333	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M-3H"	-3.021828
"515229"	355.103424	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M-3H"	-3.021828
"886470"	117.696290666667	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-3H"	-3.021828
"15374"	355.103424	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M-2H"	-2.014552
"447885"	533.158774	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M-2H"	-2.014552
"822407"	177.048074	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-2H"	-2.014552
"86771"	711.214124	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M-H"	-1.007276
"522322"	1067.324824	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M-H"	-1.007276
"904135"	355.103424	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-H"	-1.007276
"57418"	728.240671	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M-2H+NH4"	16.019271
"497710"	1084.351371	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M-2H+NH4"	16.019271
"877699"	372.129971	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-2H+NH4"	16.019271
"45234"	733.196066	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M-2H+Na"	20.974666
"483701"	1089.306766	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M-2H+Na"	20.974666
"861140"	377.085366	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-2H+Na"	20.974666
"1629579"	377.085366	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Na-2H"	20.974666
"106838"	373.091763	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M-H+Cl"	33.962126
"541294"	551.147113	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M-H+Cl"	33.962126
"931528"	195.036413	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-H+Cl"	33.962126
"274456"	747.190802	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+Cl"	34.969402
"667974"	1103.301502	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+Cl"	34.969402
"1279283"	391.080102	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Cl"	34.969402
"21839"	749.170006	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M-2H+K"	36.948606
"461399"	1105.280706	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M-2H+K"	36.948606
"835922"	393.059306	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-2H+K"	36.948606
"1560501"	393.059306	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+K-2H"	36.948606
"948387"	401.108894	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-H+HCOOH"	44.998194
"372071"	757.219601	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+HCOOH-H"	44.998201
"360331"	771.235251	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+Hac-H"	59.013851
"1506613"	415.124551	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Hac-H"	59.013851
"970506"	423.090851	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-H+NaCOOH"	66.980151
"121600"	391.080102	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+2Cl"	69.938804
"560067"	569.135452	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+2Cl"	69.938804
"1031420"	213.024752	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2Cl"	69.938804
"1252462"	435.029585	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Br"	78.918885
"1316005"	437.085572	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Cl+HCOOH"	80.974872
"1330218"	459.067529	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Cl+NaCOOH"	102.956829
"922370"	469.096286	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M-H+CF3COOH"	112.985586
"1296892"	505.072964	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Cl+CF3COOH"	148.962264
"1376147"	321.098024	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H-2H2O"	-35.012676
"1387810"	339.108	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H-H2O"	-17.0027
"287863"	713.228676	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+H"	1.007276
"685753"	1069.339376	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+H"	1.007276
"1359914"	357.117976	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H"	1.007276
"129523"	357.117976	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+2H"	2.014552
"571271"	535.173326	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+2H"	2.014552
"1042262"	179.062626	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2H"	2.014552
"207245"	238.414409333333	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+3H"	3.021828
"645347"	357.117976	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+3H"	3.021828
"1162861"	119.710842666667	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+3H"	3.021828
"424466"	730.255223	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+NH4"	18.033823
"786402"	1086.365923	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+NH4"	18.033823
"1681323"	374.144523	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+NH4"	18.033823
"332350"	365.6312495	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+H+NH4"	19.041099
"724771"	543.6865995	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+H+NH4"	19.041099
"1477254"	187.5758995	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H+NH4"	19.041099
"401652"	735.210618	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+Na"	22.989218
"762647"	1091.321318	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+Na"	22.989218
"1605281"	379.099918	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Na"	22.989218
"320789"	368.108947	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+H+Na"	23.996494
"713208"	546.164297	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+H+Na"	23.996494
"1466300"	190.053597	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H+Na"	23.996494
"1061368"	127.038156666667	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2H+Na"	25.00377
"1264137"	389.144186	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+CH3OH+H"	33.033486
"383807"	751.184558	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+K"	38.963158
"744802"	1107.295258	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+K"	38.963158
"1549043"	395.073858	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+K"	38.963158
"308407"	376.095917	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+H+K"	39.970434
"699736"	554.151267	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+H+K"	39.970434
"1450279"	198.040567	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H+K"	39.970434
"238148"	754.255226	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+ACN+H"	42.033826
"1211222"	398.144526	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+ACN+H"	42.033826
"1194576"	199.575901	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+ACN+2H"	43.041102
"188632"	757.19256	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+2Na-H"	44.97116
"628789"	1113.30326	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+2Na-H"	44.97116
"1131438"	401.08186	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2Na-H"	44.97116
"175797"	379.099918	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+2Na"	45.978436
"620825"	557.155268	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+2Na"	45.978436
"1122508"	201.044568	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2Na"	45.978436
"1409316"	134.365470666667	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H+2Na"	46.985712
"1439612"	403.123446	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H+HCOOH"	47.012746
"230766"	384.13294	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+3H2O+2H"	56.04448
"1515548"	417.17549	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+IsoProp+H"	61.06479
"415234"	387.086888	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+Na+K"	61.952376
"782789"	565.142238	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+Na+K"	61.952376
"1674745"	209.031538	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Na+K"	61.952376
"265276"	776.237168	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+ACN+Na"	64.015768
"1240944"	420.126468	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+ACN+Na"	64.015768
"1723955"	420.149993	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+NH4+HCOOH"	64.039293
"1191498"	141.692784666667	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+3Na"	68.967654
"1661390"	425.105388	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Na+HCOOH"	68.994688
"164971"	789.14044	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+2K-H"	76.91904
"606720"	1145.25114	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+2K-H"	76.91904
"1086857"	433.02974	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2K-H"	76.91904
"145862"	395.073858	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"2M+2K"	77.926316
"590891"	573.129208	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"3M+2K"	77.926316
"1074309"	217.018508	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2K"	77.926316
"1103150"	435.044292	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2K+H"	78.933592
"1338440"	435.131907	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+DMSO+H"	79.021207
"1010252"	439.171076	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2ACN+H"	83.060376
"1527648"	440.164708	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+IsoProp+Na+H"	84.054008
"994826"	220.089176	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+2ACN+2H"	84.067652
"1593704"	441.079328	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+K+HCOOH"	84.968628
"1423738"	471.110838	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+H+CF3COOH"	115.000138
"1151839"	240.602451	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+3ACN+2H"	125.094202
"1706857"	488.137385	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+NH4+CF3COOH"	132.026685
"1640323"	493.09278	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+Na+CF3COOH"	136.98208
"1571600"	509.06672	"C17759"	"1-O-Feruloyl-beta-D-glucose;1-Feruloyl-D-glucose"	"C16H20O9"	"356.1107"	"M+K+CF3COOH"	152.95602
"816432"	1572.6984	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M"	0
"987534"	1553.68001	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-H2O-H"	-19.01839
"73592"	1047.458324	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M-3H"	-3.021828
"515340"	1571.691124	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M-3H"	-3.021828
"883663"	523.225524	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-3H"	-3.021828
"12446"	1571.691124	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M-2H"	-2.014552
"450549"	2358.040324	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M-2H"	-2.014552
"822519"	785.341924	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-2H"	-2.014552
"86881"	3144.389524	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M-H"	-1.007276
"519516"	4717.087924	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M-H"	-1.007276
"905339"	1571.691124	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-H"	-1.007276
"57894"	3161.416071	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M-2H+NH4"	16.019271
"497820"	4734.114471	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M-2H+NH4"	16.019271
"878660"	1588.717671	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-2H+NH4"	16.019271
"46073"	3166.371466	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M-2H+Na"	20.974666
"484904"	4739.069866	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M-2H+Na"	20.974666
"863073"	1593.673066	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-2H+Na"	20.974666
"1630418"	1593.673066	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Na-2H"	20.974666
"106584"	1589.679463	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M-H+Cl"	33.962126
"543590"	2376.028663	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M-H+Cl"	33.962126
"933825"	803.330263	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-H+Cl"	33.962126
"274568"	3180.366202	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+Cl"	34.969402
"666992"	4753.064602	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+Cl"	34.969402
"1277205"	1607.667802	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Cl"	34.969402
"23043"	3182.345406	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M-2H+K"	36.948606
"462603"	4755.043806	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M-2H+K"	36.948606
"840405"	1609.647006	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-2H+K"	36.948606
"1561708"	1609.647006	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+K-2H"	36.948606
"948497"	1617.696594	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-H+HCOOH"	44.998194
"371089"	3190.395001	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+HCOOH-H"	44.998201
"356795"	3204.410651	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+Hac-H"	59.013851
"1505263"	1631.712251	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Hac-H"	59.013851
"970981"	1639.678551	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-H+NaCOOH"	66.980151
"122074"	1607.667802	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+2Cl"	69.938804
"560541"	2394.017002	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+2Cl"	69.938804
"1031893"	821.318602	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2Cl"	69.938804
"1249290"	1651.617285	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Br"	78.918885
"1310644"	1653.673272	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Cl+HCOOH"	80.974872
"1327043"	1675.655229	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Cl+NaCOOH"	102.956829
"914824"	1685.683986	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M-H+CF3COOH"	112.985586
"1294084"	1721.660664	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Cl+CF3COOH"	148.962264
"1371517"	1537.685724	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H-2H2O"	-35.012676
"1387554"	1555.6957	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H-H2O"	-17.0027
"285055"	3146.404076	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+H"	1.007276
"680397"	4719.102476	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+H"	1.007276
"1353829"	1573.705676	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H"	1.007276
"129635"	1573.705676	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+2H"	2.014552
"569194"	2360.054876	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+2H"	2.014552
"1044558"	787.356476	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2H"	2.014552
"205534"	1049.472876	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+3H"	3.021828
"644296"	1573.705676	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+3H"	3.021828
"1165400"	525.240076	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+3H"	3.021828
"424662"	3163.430623	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+NH4"	18.033823
"786103"	4736.129023	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+NH4"	18.033823
"1681746"	1590.732223	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+NH4"	18.033823
"331488"	1582.2189495	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+H+NH4"	19.041099
"724883"	2368.5681495	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+H+NH4"	19.041099
"1487455"	795.8697495	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H+NH4"	19.041099
"401762"	3168.386018	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+Na"	22.989218
"761665"	4741.084418	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+Na"	22.989218
"1603933"	1595.687618	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Na"	22.989218
"320899"	1584.696647	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+H+Na"	23.996494
"711858"	2371.045847	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+H+Na"	23.996494
"1468230"	798.347447	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H+Na"	23.996494
"1060383"	532.56739	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2H+Na"	25.00377
"1263154"	1605.731886	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+CH3OH+H"	33.033486
"381730"	3184.359958	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+K"	38.963158
"748193"	4757.058358	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+K"	38.963158
"1548059"	1611.661558	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+K"	38.963158
"311796"	1592.683617	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+H+K"	39.970434
"699845"	2379.032817	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+H+K"	39.970434
"1447107"	806.334417	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H+K"	39.970434
"238258"	3187.430626	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+ACN+H"	42.033826
"1211089"	1614.732226	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+ACN+H"	42.033826
"1195945"	807.869751	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+ACN+2H"	43.041102
"189010"	3190.36796	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+2Na-H"	44.97116
"629953"	4763.06636	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+2Na-H"	44.97116
"1132728"	1617.66956	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2Na-H"	44.97116
"177729"	1595.687618	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+2Na"	45.978436
"618383"	2382.036818	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+2Na"	45.978436
"1130156"	809.338418	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2Na"	45.978436
"1407967"	539.894704	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H+2Na"	46.985712
"1440816"	1619.711146	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H+HCOOH"	47.012746
"230876"	1600.72064	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+3H2O+2H"	56.04448
"1517844"	1633.76319	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+IsoProp+H"	61.06479
"416437"	1603.674588	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+Na+K"	61.952376
"777433"	2390.023788	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+Na+K"	61.952376
"1673763"	817.325388	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Na+K"	61.952376
"260283"	3209.412568	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+ACN+Na"	64.015768
"1240525"	1636.714168	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+ACN+Na"	64.015768
"1726982"	1636.737693	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+NH4+HCOOH"	64.039293
"1189421"	547.222018	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+3Na"	68.967654
"1658220"	1641.693088	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Na+HCOOH"	68.994688
"165082"	3222.31584	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+2K-H"	76.91904
"603550"	4795.01424	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+2K-H"	76.91904
"1089522"	1649.61744	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2K-H"	76.91904
"142812"	1611.661558	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"2M+2K"	77.926316
"583343"	2398.010758	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"3M+2K"	77.926316
"1071138"	825.312358	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2K"	77.926316
"1109821"	1651.631992	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2K+H"	78.933592
"1339646"	1651.719607	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+DMSO+H"	79.021207
"1009270"	1655.758776	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2ACN+H"	83.060376
"1526302"	1656.752408	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+IsoProp+Na+H"	84.054008
"998218"	828.383026	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+2ACN+2H"	84.067652
"1596001"	1657.667028	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+K+HCOOH"	84.968628
"1426036"	1687.698538	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+H+CF3COOH"	115.000138
"1151950"	848.896301	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+3ACN+2H"	125.094202
"1705874"	1704.725085	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+NH4+CF3COOH"	132.026685
"1640433"	1709.68048	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+Na+CF3COOH"	136.98208
"1571309"	1725.65442	"C17760"	"Senegin III"	"C75H112O35"	"1572.6984"	"M+K+CF3COOH"	152.95602
"816299"	1718.7563	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M"	0
"989645"	1699.73791	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-H2O-H"	-19.01839
"72608"	1144.83025733333	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M-3H"	-3.021828
"515449"	1717.749024	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M-3H"	-3.021828
"892158"	571.911490666667	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-3H"	-3.021828
"14379"	1717.749024	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M-2H"	-2.014552
"452117"	2577.127174	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M-2H"	-2.014552
"829188"	858.370874	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-2H"	-2.014552
"90272"	3436.505324	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M-H"	-1.007276
"522543"	5155.261624	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M-H"	-1.007276
"907638"	1717.749024	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-H"	-1.007276
"60556"	3453.531871	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M-2H+NH4"	16.019271
"502146"	5172.288171	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M-2H+NH4"	16.019271
"878771"	1734.775571	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-2H+NH4"	16.019271
"45089"	3458.487266	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M-2H+Na"	20.974666
"485014"	5177.243566	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M-2H+Na"	20.974666
"863547"	1739.730966	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-2H+Na"	20.974666
"1631986"	1739.730966	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Na-2H"	20.974666
"108881"	1735.737363	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M-H+Cl"	33.962126
"539329"	2595.115513	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M-H+Cl"	33.962126
"938674"	876.359213	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-H+Cl"	33.962126
"275407"	3472.482002	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+Cl"	34.969402
"666008"	5191.238302	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+Cl"	34.969402
"1279502"	1753.725702	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Cl"	34.969402
"23149"	3474.461206	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M-2H+K"	36.948606
"461618"	5193.217506	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M-2H+K"	36.948606
"840512"	1755.704906	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-2H+K"	36.948606
"1562906"	1755.704906	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+K-2H"	36.948606
"948601"	1763.754494	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-H+HCOOH"	44.998194
"367913"	3482.510801	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+HCOOH-H"	44.998201
"359455"	3496.526451	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+Hac-H"	59.013851
"1502819"	1777.770151	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Hac-H"	59.013851
"968173"	1785.736451	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-H+NaCOOH"	66.980151
"119267"	1753.725702	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+2Cl"	69.938804
"559558"	2613.103852	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+2Cl"	69.938804
"1032003"	894.347552	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2Cl"	69.938804
"1254139"	1797.675185	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Br"	78.918885
"1316950"	1799.731172	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Cl+HCOOH"	80.974872
"1322420"	1821.713129	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Cl+NaCOOH"	102.956829
"916028"	1831.741886	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M-H+CF3COOH"	112.985586
"1292737"	1867.718564	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Cl+CF3COOH"	148.962264
"1370897"	1683.743624	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H-2H2O"	-35.012676
"1386572"	1701.7536	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H-H2O"	-17.0027
"286989"	3438.519876	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+H"	1.007276
"677225"	5157.276176	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+H"	1.007276
"1353574"	1719.763576	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H"	1.007276
"128652"	1719.763576	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+2H"	2.014552
"568213"	2579.141726	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+2H"	2.014552
"1043576"	860.385426	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2H"	2.014552
"205644"	1146.84480933333	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+3H"	3.021828
"644551"	1719.763576	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+3H"	3.021828
"1162837"	573.926042666667	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+3H"	3.021828
"424778"	3455.546423	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+NH4"	18.033823
"785932"	5174.302723	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+NH4"	18.033823
"1682589"	1736.790123	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+NH4"	18.033823
"331115"	1728.2768495	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+H+NH4"	19.041099
"724266"	2587.6549995	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+H+NH4"	19.041099
"1488659"	868.8986995	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H+NH4"	19.041099
"407339"	3460.501818	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+Na"	22.989218
"762869"	5179.258118	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+Na"	22.989218
"1608783"	1741.745518	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Na"	22.989218
"317729"	1730.754547	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+H+Na"	23.996494
"717802"	2590.132697	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+H+Na"	23.996494
"1468342"	871.376397	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H+Na"	23.996494
"1059401"	581.253356666667	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2H+Na"	25.00377
"1267639"	1751.789786	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+CH3OH+H"	33.033486
"387307"	3476.475758	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+K"	38.963158
"750490"	5195.232058	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+K"	38.963158
"1548169"	1757.719458	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+K"	38.963158
"309719"	1738.741517	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+H+K"	39.970434
"692543"	2598.119667	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+H+K"	39.970434
"1446240"	879.363367	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H+K"	39.970434
"237636"	3479.546426	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+ACN+H"	42.033826
"1210950"	1760.790126	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+ACN+H"	42.033826
"1194959"	880.898701	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+ACN+2H"	43.041102
"189159"	3482.48376	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+2Na-H"	44.97116
"628582"	5201.24006	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+2Na-H"	44.97116
"1131445"	1763.72746	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2Na-H"	44.97116
"177111"	1741.745518	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+2Na"	45.978436
"617765"	2601.123668	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+2Na"	45.978436
"1128201"	882.367368	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2Na"	45.978436
"1405890"	588.580670666667	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H+2Na"	46.985712
"1445268"	1765.769046	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H+HCOOH"	47.012746
"234268"	1746.77854	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+3H2O+2H"	56.04448
"1519777"	1779.82109	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+IsoProp+H"	61.06479
"420193"	1749.732488	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+Na+K"	61.952376
"781188"	2609.110638	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+Na+K"	61.952376
"1680801"	890.354338	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Na+K"	61.952376
"264403"	3501.528368	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+ACN+Na"	64.015768
"1240396"	1782.772068	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+ACN+Na"	64.015768
"1727094"	1782.795593	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+NH4+HCOOH"	64.039293
"1188438"	595.907984666667	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+3Na"	68.967654
"1655051"	1787.750988	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Na+HCOOH"	68.994688
"161184"	3514.43164	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+2K-H"	76.91904
"601839"	5233.18794	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+2K-H"	76.91904
"1091454"	1795.67534	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2K-H"	76.91904
"149362"	1757.719458	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"2M+2K"	77.926316
"586736"	2617.097608	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"3M+2K"	77.926316
"1072342"	898.341308	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2K"	77.926316
"1104463"	1797.689892	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2K+H"	78.933592
"1336960"	1797.777507	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+DMSO+H"	79.021207
"1011566"	1801.816676	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2ACN+H"	83.060376
"1529693"	1802.810308	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+IsoProp+Na+H"	84.054008
"991034"	901.411976	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+2ACN+2H"	84.067652
"1590643"	1803.724928	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+K+HCOOH"	84.968628
"1418491"	1833.756438	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+H+CF3COOH"	115.000138
"1148780"	921.925251	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+3ACN+2H"	125.094202
"1704893"	1850.782985	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+NH4+CF3COOH"	132.026685
"1637263"	1855.73838	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+Na+CF3COOH"	136.98208
"1581664"	1871.71232	"C17761"	"Senegin IV"	"C81H122O39"	"1718.7563"	"M+K+CF3COOH"	152.95602
"814221"	462.1162	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M"	0
"987755"	443.09781	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-H2O-H"	-19.01839
"71625"	307.070190666667	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M-3H"	-3.021828
"514466"	461.108924	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M-3H"	-3.021828
"885706"	153.031457333333	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-3H"	-3.021828
"6469"	461.108924	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M-2H"	-2.014552
"451496"	692.167024	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M-2H"	-2.014552
"820185"	230.050824	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-2H"	-2.014552
"84185"	923.225124	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M-H"	-1.007276
"520101"	1385.341324	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M-H"	-1.007276
"905924"	461.108924	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-H"	-1.007276
"60301"	940.251671	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M-2H+NH4"	16.019271
"501933"	1402.367871	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M-2H+NH4"	16.019271
"878641"	478.135471	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-2H+NH4"	16.019271
"45564"	945.207066	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M-2H+Na"	20.974666
"482209"	1407.323266	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M-2H+Na"	20.974666
"863620"	483.090866	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-2H+Na"	20.974666
"1632099"	483.090866	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Na-2H"	20.974666
"100974"	479.097263	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M-H+Cl"	33.962126
"543813"	710.155363	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M-H+Cl"	33.962126
"939879"	248.039163	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-H+Cl"	33.962126
"275883"	959.201802	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+Cl"	34.969402
"669399"	1421.318002	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+Cl"	34.969402
"1279611"	497.085602	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Cl"	34.969402
"23262"	961.181006	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M-2H+K"	36.948606
"462823"	1423.297206	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M-2H+K"	36.948606
"841717"	499.064806	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-2H+K"	36.948606
"1564110"	499.064806	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+K-2H"	36.948606
"947623"	507.114394	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-H+HCOOH"	44.998194
"369119"	969.230601	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+HCOOH-H"	44.998201
"357379"	983.246251	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+Hac-H"	59.013851
"1505847"	521.130051	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Hac-H"	59.013851
"973391"	529.096351	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-H+NaCOOH"	66.980151
"122294"	497.085602	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+2Cl"	69.938804
"558939"	728.143702	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+2Cl"	69.938804
"1029927"	266.027502	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2Cl"	69.938804
"1250603"	541.035085	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Br"	78.918885
"1310866"	543.091072	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Cl+HCOOH"	80.974872
"1323620"	565.073029	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Cl+NaCOOH"	102.956829
"916138"	575.101786	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M-H+CF3COOH"	112.985586
"1295031"	611.078464	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Cl+CF3COOH"	148.962264
"1372102"	427.103524	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H-2H2O"	-35.012676
"1383402"	445.1135	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H-H2O"	-17.0027
"284183"	925.239676	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+H"	1.007276
"676604"	1387.355876	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+H"	1.007276
"1353687"	463.123476	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H"	1.007276
"126575"	463.123476	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+2H"	2.014552
"568323"	694.181576	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+2H"	2.014552
"1042593"	232.065376	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2H"	2.014552
"205024"	309.084742666667	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+3H"	3.021828
"644584"	463.123476	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+3H"	3.021828
"1162905"	155.046009333333	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+3H"	3.021828
"424277"	942.266223	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+NH4"	18.033823
"789163"	1404.382423	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+NH4"	18.033823
"1681849"	480.150023	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+NH4"	18.033823
"333045"	471.6367495	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+H+NH4"	19.041099
"724375"	702.6948495	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+H+NH4"	19.041099
"1487676"	240.5786495	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H+NH4"	19.041099
"401982"	947.221618	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+Na"	22.989218
"766259"	1409.337818	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+Na"	22.989218
"1608893"	485.105418	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Na"	22.989218
"318933"	474.114447	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+H+Na"	23.996494
"713538"	705.172547	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+H+Na"	23.996494
"1466266"	243.056347	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H+Na"	23.996494
"1058418"	162.373323333333	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2H+Na"	25.00377
"1264469"	495.149686	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+CH3OH+H"	33.033486
"384137"	963.195558	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+K"	38.963158
"749509"	1425.311758	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+K"	38.963158
"1550467"	501.079358	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+K"	38.963158
"306553"	482.101417	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+H+K"	39.970434
"700065"	713.159517	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+H+K"	39.970434
"1446595"	251.043317	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H+K"	39.970434
"235879"	966.266226	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+ACN+H"	42.033826
"1210212"	504.150026	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+ACN+H"	42.033826
"1194265"	252.578651	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+ACN+2H"	43.041102
"188738"	969.20356	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+2Na-H"	44.97116
"628827"	1431.31976	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+2Na-H"	44.97116
"1131352"	507.08736	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2Na-H"	44.97116
"176125"	485.105418	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+2Na"	45.978436
"623344"	716.163518	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+2Na"	45.978436
"1128310"	254.047318	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2Na"	45.978436
"1411834"	169.700637333333	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H+2Na"	46.985712
"1442129"	509.128946	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H+HCOOH"	47.012746
"233284"	490.13844	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+3H2O+2H"	56.04448
"1518064"	523.18099	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+IsoProp+H"	61.06479
"421763"	493.092388	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+Na+K"	61.952376
"781298"	724.150488	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+Na+K"	61.952376
"1677266"	262.034288	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Na+K"	61.952376
"266337"	988.248168	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+ACN+Na"	64.015768
"1241112"	526.131968	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+ACN+Na"	64.015768
"1727567"	526.155493	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+NH4+HCOOH"	64.039293
"1186362"	177.027951333333	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+3Na"	68.967654
"1654432"	531.110888	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Na+HCOOH"	68.994688
"161294"	1001.15144	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+2K-H"	76.91904
"598182"	1463.26764	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+2K-H"	76.91904
"1093752"	539.03524	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2K-H"	76.91904
"151659"	501.079358	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"2M+2K"	77.926316
"585753"	732.137458	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"3M+2K"	77.926316
"1072452"	270.021258	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2K"	77.926316
"1101533"	541.049792	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2K+H"	78.933592
"1337679"	541.137407	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+DMSO+H"	79.021207
"1008394"	545.176576	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2ACN+H"	83.060376
"1530894"	546.170208	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+IsoProp+Na+H"	84.054008
"994061"	273.091926	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+2ACN+2H"	84.067652
"1587955"	547.084828	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+K+HCOOH"	84.968628
"1414953"	577.116338	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+H+CF3COOH"	115.000138
"1149983"	293.605201	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+3ACN+2H"	125.094202
"1702813"	594.142885	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+NH4+CF3COOH"	132.026685
"1634819"	599.09828	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+Na+CF3COOH"	136.98208
"1581774"	615.07222	"C17762"	"Homoplantaginin;Hispidulin 7-O-glucoside;Hispiduloside"	"C22H22O11"	"462.1162"	"M+K+CF3COOH"	152.95602
"814328"	464.0955	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M"	0
"987865"	445.07711	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-H2O-H"	-19.01839
"75015"	308.389724	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M-3H"	-3.021828
"516399"	463.088224	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M-3H"	-3.021828
"892014"	153.691224	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-3H"	-3.021828
"8766"	463.088224	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M-2H"	-2.014552
"450878"	695.135974	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M-2H"	-2.014552
"822848"	231.040474	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-2H"	-2.014552
"88305"	927.183724	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M-H"	-1.007276
"525680"	1391.279224	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M-H"	-1.007276
"908587"	463.088224	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-H"	-1.007276
"61505"	944.210271	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+NH4"	16.019271
"502164"	1408.305771	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+NH4"	16.019271
"879114"	480.114771	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-2H+NH4"	16.019271
"46283"	949.165666	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+Na"	20.974666
"481590"	1413.261166	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+Na"	20.974666
"863405"	485.070166	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-2H+Na"	20.974666
"1632573"	485.070166	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Na-2H"	20.974666
"108617"	481.076563	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M-H+Cl"	33.962126
"541735"	713.124313	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M-H+Cl"	33.962126
"938529"	249.028813	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-H+Cl"	33.962126
"273806"	963.160402	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+Cl"	34.969402
"665135"	1427.255902	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+Cl"	34.969402
"1280084"	499.064902	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Cl"	34.969402
"23735"	965.139606	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M-2H+K"	36.948606
"462931"	1429.235106	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M-2H+K"	36.948606
"840734"	501.044106	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-2H+K"	36.948606
"1565313"	501.044106	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+K-2H"	36.948606
"949916"	509.093694	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-H+HCOOH"	44.998194
"368133"	973.189201	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+HCOOH-H"	44.998201
"355301"	987.204851	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+Hac-H"	59.013851
"1504499"	523.109351	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Hac-H"	59.013851
"972406"	531.075651	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-H+NaCOOH"	66.980151
"120582"	499.064902	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+2Cl"	69.938804
"556862"	731.112652	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+2Cl"	69.938804
"1030038"	267.017152	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2Cl"	69.938804
"1253265"	543.014385	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Br"	78.918885
"1310976"	545.070372	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+HCOOH"	80.974872
"1325188"	567.052329	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+NaCOOH"	102.956829
"917342"	577.081086	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M-H+CF3COOH"	112.985586
"1293319"	613.057764	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Cl+CF3COOH"	148.962264
"1370024"	429.082824	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H-2H2O"	-35.012676
"1383877"	447.0928	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H-H2O"	-17.0027
"284659"	929.198276	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+H"	1.007276
"677442"	1393.293776	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+H"	1.007276
"1352702"	465.102776	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H"	1.007276
"127775"	465.102776	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+2H"	2.014552
"569527"	697.150526	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+2H"	2.014552
"1041610"	233.055026	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2H"	2.014552
"206593"	310.404276	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+3H"	3.021828
"645059"	465.102776	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+3H"	3.021828
"1162829"	155.705776	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+3H"	3.021828
"424755"	946.224823	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+NH4"	18.033823
"786114"	1410.320323	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+NH4"	18.033823
"1681949"	482.129323	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+NH4"	18.033823
"331696"	473.6160495	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+H+NH4"	19.041099
"723752"	705.6637995	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+H+NH4"	19.041099
"1487786"	241.5682995	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H+NH4"	19.041099
"402093"	951.180218	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+Na"	22.989218
"765276"	1415.275718	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+Na"	22.989218
"1609003"	487.084718	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Na"	22.989218
"321229"	476.093747	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+H+Na"	23.996494
"712555"	708.141497	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+H+Na"	23.996494
"1468564"	244.045997	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H+Na"	23.996494
"1062902"	163.03309	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2H+Na"	25.00377
"1266766"	497.128986	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+CH3OH+H"	33.033486
"386435"	967.154158	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+K"	38.963158
"749618"	1431.249658	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+K"	38.963158
"1551669"	503.058658	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+K"	38.963158
"308849"	484.080717	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+H+K"	39.970434
"699082"	716.128467	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+H+K"	39.970434
"1445727"	252.032967	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H+K"	39.970434
"235988"	970.224826	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+ACN+H"	42.033826
"1210075"	506.129326	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+H"	42.033826
"1194360"	253.568301	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+2H"	43.041102
"188648"	973.16216	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+2Na-H"	44.97116
"628937"	1437.25766	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+2Na-H"	44.97116
"1131957"	509.06666	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2Na-H"	44.97116
"175871"	487.084718	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+2Na"	45.978436
"617985"	719.132468	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+2Na"	45.978436
"1129877"	255.036968	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2Na"	45.978436
"1411580"	170.360404	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H+2Na"	46.985712
"1438229"	511.108246	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H+HCOOH"	47.012746
"230842"	492.11774	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+3H2O+2H"	56.04448
"1514894"	525.16029	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+IsoProp+H"	61.06479
"420779"	495.071688	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+Na+K"	61.952376
"778856"	727.119438	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+Na+K"	61.952376
"1676280"	263.023938	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Na+K"	61.952376
"260615"	992.206768	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+ACN+Na"	64.015768
"1240615"	528.111268	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+ACN+Na"	64.015768
"1724402"	528.134793	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+NH4+HCOOH"	64.039293
"1191212"	177.687718	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+3Na"	68.967654
"1660736"	533.090188	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Na+HCOOH"	68.994688
"166503"	1005.11004	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+2K-H"	76.91904
"602784"	1469.20554	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+2K-H"	76.91904
"1088757"	541.01454	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2K-H"	76.91904
"144841"	503.058658	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"2M+2K"	77.926316
"584769"	735.106408	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"3M+2K"	77.926316
"1072562"	271.010908	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2K"	77.926316
"1101401"	543.029092	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2K+H"	78.933592
"1342163"	543.116707	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+DMSO+H"	79.021207
"1008506"	547.155876	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2ACN+H"	83.060376
"1533191"	548.149508	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+IsoProp+Na+H"	84.054008
"996358"	274.081576	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+2ACN+2H"	84.067652
"1590862"	549.064128	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+K+HCOOH"	84.968628
"1415551"	579.095638	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+H+CF3COOH"	115.000138
"1149000"	294.594851	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+3ACN+2H"	125.094202
"1702924"	596.122185	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+NH4+CF3COOH"	132.026685
"1636023"	601.07758	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+Na+CF3COOH"	136.98208
"1581884"	617.05152	"C17763"	"6-Hydroxyluteolin 7-glucoside"	"C21H20O12"	"464.0955"	"M+K+CF3COOH"	152.95602
"814438"	486.3345	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M"	0
"989436"	467.31611	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-H2O-H"	-19.01839
"76950"	323.215724	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M-3H"	-3.021828
"516510"	485.327224	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M-3H"	-3.021828
"894922"	161.104224	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-3H"	-3.021828
"14709"	485.327224	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M-2H"	-2.014552
"454269"	728.494474	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M-2H"	-2.014552
"828789"	242.159974	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-2H"	-2.014552
"89875"	971.661724	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M-H"	-1.007276
"528706"	1457.996224	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M-H"	-1.007276
"910158"	485.327224	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-H"	-1.007276
"62701"	988.688271	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M-2H+NH4"	16.019271
"502816"	1475.022771	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M-2H+NH4"	16.019271
"879595"	502.353771	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-2H+NH4"	16.019271
"46884"	993.643666	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M-2H+Na"	20.974666
"485351"	1479.978166	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M-2H+Na"	20.974666
"862791"	507.309166	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-2H+Na"	20.974666
"1633174"	507.309166	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Na-2H"	20.974666
"109096"	503.315563	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M-H+Cl"	33.962126
"542940"	746.482813	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M-H+Cl"	33.962126
"940830"	260.148313	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-H+Cl"	33.962126
"281819"	1007.638402	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+Cl"	34.969402
"669619"	1493.972902	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+Cl"	34.969402
"1280563"	521.303902	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Cl"	34.969402
"25671"	1009.617606	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M-2H+K"	36.948606
"460128"	1495.952106	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M-2H+K"	36.948606
"838661"	523.283106	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-2H+K"	36.948606
"1561054"	523.283106	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+K-2H"	36.948606
"948206"	531.332694	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-H+HCOOH"	44.998194
"372620"	1017.667201	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+HCOOH-H"	44.998201
"356871"	1031.682851	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+Hac-H"	59.013851
"1507284"	545.348351	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Hac-H"	59.013851
"973616"	553.314651	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-H+NaCOOH"	66.980151
"124339"	521.303902	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+2Cl"	69.938804
"562440"	764.471152	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+2Cl"	69.938804
"1031241"	278.136652	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2Cl"	69.938804
"1255198"	565.253385	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Br"	78.918885
"1316189"	567.309372	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Cl+HCOOH"	80.974872
"1325663"	589.291329	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Cl+NaCOOH"	102.956829
"915630"	599.320086	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M-H+CF3COOH"	112.985586
"1297442"	635.296764	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Cl+CF3COOH"	148.962264
"1371230"	451.321824	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H-2H2O"	-35.012676
"1388727"	469.3318	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H-H2O"	-17.0027
"286227"	973.676276	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+H"	1.007276
"681929"	1460.010776	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+H"	1.007276
"1354999"	487.341776	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H"	1.007276
"130074"	487.341776	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+2H"	2.014552
"576199"	730.509026	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+2H"	2.014552
"1047187"	244.174526	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2H"	2.014552
"207433"	325.230276	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+3H"	3.021828
"647723"	487.341776	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+3H"	3.021828
"1165847"	163.118776	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+3H"	3.021828
"426929"	990.702823	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+NH4"	18.033823
"788654"	1477.037323	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+NH4"	18.033823
"1682432"	504.368323	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+NH4"	18.033823
"332170"	495.8550495	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+H+NH4"	19.041099
"726415"	739.0222995	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+H+NH4"	19.041099
"1487896"	252.6877995	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H+NH4"	19.041099
"407553"	995.658218	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+Na"	22.989218
"767573"	1481.992718	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+Na"	22.989218
"1609113"	509.323718	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Na"	22.989218
"324621"	498.332747	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+H+Na"	23.996494
"715947"	741.499997	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+H+Na"	23.996494
"1473049"	255.165497	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H+Na"	23.996494
"1064107"	170.44609	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2H+Na"	25.00377
"1269795"	519.367986	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+CH3OH+H"	33.033486
"391650"	1011.632158	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+K"	38.963158
"751919"	1497.966658	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+K"	38.963158
"1550688"	525.297658	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+K"	38.963158
"310781"	506.319717	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+H+K"	39.970434
"702471"	749.486967	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+H+K"	39.970434
"1446939"	263.152467	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H+K"	39.970434
"238336"	1014.702826	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+ACN+H"	42.033826
"1213594"	528.368326	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+ACN+H"	42.033826
"1199299"	264.687801	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+ACN+2H"	43.041102
"189253"	1017.64016	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+2Na-H"	44.97116
"630637"	1503.97466	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+2Na-H"	44.97116
"1132310"	531.30566	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2Na-H"	44.97116
"181816"	509.323718	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+2Na"	45.978436
"618095"	752.490968	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+2Na"	45.978436
"1124884"	266.156468	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2Na"	45.978436
"1411688"	177.773404	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H+2Na"	46.985712
"1441619"	533.347246	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H+HCOOH"	47.012746
"233506"	514.35674	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+3H2O+2H"	56.04448
"1522296"	547.39929	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+IsoProp+H"	61.06479
"415789"	517.310688	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+Na+K"	61.952376
"781154"	760.477938	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+Na+K"	61.952376
"1673114"	274.143438	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Na+K"	61.952376
"260726"	1036.684768	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+ACN+Na"	64.015768
"1236351"	550.350268	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+ACN+Na"	64.015768
"1723416"	550.373793	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+NH4+HCOOH"	64.039293
"1189861"	185.100718	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+3Na"	68.967654
"1661213"	555.329188	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Na+HCOOH"	68.994688
"168802"	1049.58804	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+2K-H"	76.91904
"605081"	1535.92254	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+2K-H"	76.91904
"1089594"	563.25354	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2K-H"	76.91904
"146413"	525.297658	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"2M+2K"	77.926316
"588160"	768.464908	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"3M+2K"	77.926316
"1070485"	282.130408	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2K"	77.926316
"1103699"	565.268092	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2K+H"	78.933592
"1336927"	565.355707	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+DMSO+H"	79.021207
"1007521"	569.394876	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2ACN+H"	83.060376
"1526740"	570.388508	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+IsoProp+Na+H"	84.054008
"997562"	285.201076	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+2ACN+2H"	84.067652
"1588788"	571.303128	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+K+HCOOH"	84.968628
"1415176"	601.334638	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+H+CF3COOH"	115.000138
"1150204"	305.714351	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+3ACN+2H"	125.094202
"1705220"	618.361185	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+NH4+CF3COOH"	132.026685
"1636133"	623.31658	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+Na+CF3COOH"	136.98208
"1581994"	639.29052	"C17764"	"Glabric acid"	"C30H46O5"	"486.3345"	"M+K+CF3COOH"	152.95602
"813455"	382.1416	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M"	0
"988084"	363.12321	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-H2O-H"	-19.01839
"76326"	253.753790666667	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M-3H"	-3.021828
"515886"	381.134324	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M-3H"	-3.021828
"892598"	126.373257333333	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-3H"	-3.021828
"14949"	381.134324	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M-2H"	-2.014552
"453286"	572.205124	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M-2H"	-2.014552
"829629"	190.063524	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-2H"	-2.014552
"86340"	763.275924	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M-H"	-1.007276
"533437"	1145.417524	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M-H"	-1.007276
"910276"	381.134324	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-H"	-1.007276
"62095"	780.302471	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M-2H+NH4"	16.019271
"502019"	1162.444071	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M-2H+NH4"	16.019271
"878857"	398.160871	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-2H+NH4"	16.019271
"45904"	785.257866	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M-2H+Na"	20.974666
"485342"	1167.399466	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M-2H+Na"	20.974666
"861808"	403.116266	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-2H+Na"	20.974666
"1632679"	403.116266	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Na-2H"	20.974666
"109331"	399.122663	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M-H+Cl"	33.962126
"549004"	590.193463	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M-H+Cl"	33.962126
"941792"	208.051863	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-H+Cl"	33.962126
"281685"	799.252602	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+Cl"	34.969402
"667542"	1181.394202	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+Cl"	34.969402
"1282130"	417.111002	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Cl"	34.969402
"26870"	801.231806	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M-2H+K"	36.948606
"465337"	1183.373406	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M-2H+K"	36.948606
"843140"	419.090206	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-2H+K"	36.948606
"1561526"	419.090206	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+K-2H"	36.948606
"949773"	427.139794	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-H+HCOOH"	44.998194
"367624"	809.281401	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+HCOOH-H"	44.998201
"352237"	823.297051	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+Hac-H"	59.013851
"1502166"	441.155451	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Hac-H"	59.013851
"965333"	449.121751	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-H+NaCOOH"	66.980151
"120437"	417.111002	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+2Cl"	69.938804
"564744"	608.181802	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+2Cl"	69.938804
"1032448"	226.040202	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2Cl"	69.938804
"1255308"	461.060485	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Br"	78.918885
"1319215"	463.116472	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Cl+HCOOH"	80.974872
"1327598"	485.098429	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Cl+NaCOOH"	102.956829
"918656"	495.127186	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M-H+CF3COOH"	112.985586
"1299738"	531.103864	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Cl+CF3COOH"	148.962264
"1372798"	347.128924	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H-2H2O"	-35.012676
"1385556"	365.1389	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H-H2O"	-17.0027
"285608"	765.290476	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+H"	1.007276
"683134"	1147.432076	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+H"	1.007276
"1354381"	383.148876	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H"	1.007276
"130551"	383.148876	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+2H"	2.014552
"576311"	574.219676	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+2H"	2.014552
"1039640"	192.078076	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2H"	2.014552
"209730"	255.768342666667	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+3H"	3.021828
"647102"	383.148876	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+3H"	3.021828
"1165593"	128.387809333333	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+3H"	3.021828
"426309"	782.317023	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+NH4"	18.033823
"786575"	1164.458623	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+NH4"	18.033823
"1682541"	400.175423	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+NH4"	18.033823
"331553"	391.6621495	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+H+NH4"	19.041099
"724216"	582.7329495	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+H+NH4"	19.041099
"1488006"	200.5913495	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H+NH4"	19.041099
"406688"	787.272418	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+Na"	22.989218
"758936"	1169.414018	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+Na"	22.989218
"1605943"	405.130818	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Na"	22.989218
"324732"	394.139847	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+H+Na"	23.996494
"720434"	585.210647	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+H+Na"	23.996494
"1468787"	203.069047	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H+Na"	23.996494
"1058750"	135.715123333333	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2H+Na"	25.00377
"1265894"	415.175086	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+CH3OH+H"	33.033486
"387748"	803.246358	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+K"	38.963158
"744374"	1185.387958	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+K"	38.963158
"1547519"	421.104758	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+K"	38.963158
"309068"	402.126817	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+H+K"	39.970434
"700398"	593.197617	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+H+K"	39.970434
"1448752"	211.056017	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H+K"	39.970434
"238445"	806.317026	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+ACN+H"	42.033826
"1211635"	424.175426	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+ACN+H"	42.033826
"1194584"	212.591351	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+ACN+2H"	43.041102
"188791"	809.25436	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+2Na-H"	44.97116
"631479"	1191.39596	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+2Na-H"	44.97116
"1131822"	427.11276	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2Na-H"	44.97116
"177548"	405.130818	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+2Na"	45.978436
"619299"	596.201618	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+2Na"	45.978436
"1124992"	214.060018	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2Na"	45.978436
"1413022"	143.042437333333	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H+2Na"	46.985712
"1443921"	429.154346	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H+HCOOH"	47.012746
"232520"	410.16384	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+3H2O+2H"	56.04448
"1522409"	443.20639	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+IsoProp+H"	61.06479
"420268"	413.117788	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+Na+K"	61.952376
"782724"	604.188588	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+Na+K"	61.952376
"1675409"	222.046988	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Na+K"	61.952376
"264847"	828.298968	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+ACN+Na"	64.015768
"1237923"	446.157368	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+ACN+Na"	64.015768
"1723523"	446.180893	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+NH4+HCOOH"	64.039293
"1189976"	150.369751333333	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+3Na"	68.967654
"1662784"	451.136288	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Na+HCOOH"	68.994688
"165632"	841.20224	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+2K-H"	76.91904
"603005"	1223.34384	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+2K-H"	76.91904
"1091894"	459.06064	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2K-H"	76.91904
"149804"	421.104758	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"2M+2K"	77.926316
"590457"	612.175558	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"3M+2K"	77.926316
"1069378"	230.033958	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2K"	77.926316
"1105996"	461.075192	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2K+H"	78.933592
"1338128"	461.162807	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+DMSO+H"	79.021207
"1007632"	465.201976	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2ACN+H"	83.060376
"1530132"	466.195608	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+IsoProp+Na+H"	84.054008
"993298"	233.104626	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+2ACN+2H"	84.067652
"1589018"	467.110228	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+K+HCOOH"	84.968628
"1424401"	497.141738	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+H+CF3COOH"	115.000138
"1151407"	253.617901	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+3ACN+2H"	125.094202
"1700958"	514.168285	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+NH4+CF3COOH"	132.026685
"1646454"	519.12368	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+Na+CF3COOH"	136.98208
"1582104"	535.09762	"C17765"	"Licoricone"	"C22H22O6"	"382.1416"	"M+K+CF3COOH"	152.95602
"810282"	540.3087	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M"	0
"989893"	521.29031	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-H2O-H"	-19.01839
"78539"	359.198524	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M-3H"	-3.021828
"518391"	539.301424	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M-3H"	-3.021828
"890520"	179.095624	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-3H"	-3.021828
"4721"	539.301424	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M-2H"	-2.014552
"442459"	809.455774	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M-2H"	-2.014552
"823176"	269.147074	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-2H"	-2.014552
"88636"	1079.610124	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M-H"	-1.007276
"532571"	1619.918824	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M-H"	-1.007276
"910984"	539.301424	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-H"	-1.007276
"62323"	1096.636671	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M-2H+NH4"	16.019271
"501031"	1636.945371	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M-2H+NH4"	16.019271
"878713"	556.327971	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-2H+NH4"	16.019271
"46665"	1101.592066	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M-2H+Na"	20.974666
"486180"	1641.900766	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M-2H+Na"	20.974666
"863744"	561.283366	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-2H+Na"	20.974666
"1633679"	561.283366	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Na-2H"	20.974666
"109314"	557.289763	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M-H+Cl"	33.962126
"547531"	827.444113	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M-H+Cl"	33.962126
"938859"	287.135413	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-H+Cl"	33.962126
"281914"	1115.586802	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+Cl"	34.969402
"670930"	1655.895502	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+Cl"	34.969402
"1282239"	575.278102	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Cl"	34.969402
"24795"	1117.566006	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M-2H+K"	36.948606
"465447"	1657.874706	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M-2H+K"	36.948606
"841062"	577.257306	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-2H+K"	36.948606
"1564547"	577.257306	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+K-2H"	36.948606
"951337"	585.306894	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-H+HCOOH"	44.998194
"366274"	1125.615601	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+HCOOH-H"	44.998201
"354534"	1139.631251	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+Hac-H"	59.013851
"1498992"	599.322551	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Hac-H"	59.013851
"963253"	607.288851	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-H+NaCOOH"	66.980151
"115443"	575.278102	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+2Cl"	69.938804
"553910"	845.432452	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+2Cl"	69.938804
"1025993"	305.123752	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2Cl"	69.938804
"1246665"	619.227585	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Br"	78.918885
"1316407"	621.283572	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Cl+HCOOH"	80.974872
"1326615"	643.265529	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Cl+NaCOOH"	102.956829
"915483"	653.294286	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M-H+CF3COOH"	112.985586
"1294384"	689.270964	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Cl+CF3COOH"	148.962264
"1376916"	505.296024	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H-2H2O"	-35.012676
"1386763"	523.306	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H-H2O"	-17.0027
"286448"	1081.624676	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+H"	1.007276
"681057"	1621.933376	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+H"	1.007276
"1353396"	541.315976	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H"	1.007276
"128105"	541.315976	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+2H"	2.014552
"571314"	811.470326	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+2H"	2.014552
"1044123"	271.161626	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2H"	2.014552
"210930"	361.213076	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+3H"	3.021828
"649397"	541.315976	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+3H"	3.021828
"1166429"	181.110176	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+3H"	3.021828
"424472"	1098.651223	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+NH4"	18.033823
"785782"	1638.959923	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+NH4"	18.033823
"1681307"	558.342523	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+NH4"	18.033823
"330111"	549.8292495	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+H+NH4"	19.041099
"723223"	819.9835995	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+H+NH4"	19.041099
"1477417"	279.6748995	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H+NH4"	19.041099
"404614"	1103.606618	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+Na"	22.989218
"763423"	1643.915318	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+Na"	22.989218
"1613707"	563.297918	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Na"	22.989218
"321562"	552.306947	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+H+Na"	23.996494
"719451"	822.461297	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+H+Na"	23.996494
"1467804"	282.152597	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H+Na"	23.996494
"1057767"	188.43749	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2H+Na"	25.00377
"1266005"	573.342186	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+CH3OH+H"	33.033486
"388587"	1119.580558	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+K"	38.963158
"743391"	1659.889258	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+K"	38.963158
"1548721"	579.271858	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+K"	38.963158
"308083"	560.293917	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+H+K"	39.970434
"699415"	830.448267	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+H+K"	39.970434
"1454328"	290.139567	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H+K"	39.970434
"236368"	1122.651226	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+ACN+H"	42.033826
"1209928"	582.342526	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+ACN+H"	42.033826
"1194404"	291.674901	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+ACN+2H"	43.041102
"188814"	1125.58856	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+2Na-H"	44.97116
"629767"	1665.89726	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+2Na-H"	44.97116
"1131932"	585.27986	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2Na-H"	44.97116
"177294"	563.297918	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+2Na"	45.978436
"619411"	833.452268	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+2Na"	45.978436
"1122916"	293.143568	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2Na"	45.978436
"1412888"	195.764804	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H+2Na"	46.985712
"1442933"	587.321446	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H+HCOOH"	47.012746
"230443"	568.33094	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+3H2O+2H"	56.04448
"1523126"	601.37349	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+IsoProp+H"	61.06479
"422810"	571.284888	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+Na+K"	61.952376
"784049"	841.439238	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+Na+K"	61.952376
"1678800"	301.130538	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Na+K"	61.952376
"264955"	1144.633168	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+ACN+Na"	64.015768
"1236935"	604.324468	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+ACN+Na"	64.015768
"1725094"	604.347993	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+NH4+HCOOH"	64.039293
"1191906"	203.092118	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+3Na"	68.967654
"1663255"	609.303388	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Na+HCOOH"	68.994688
"170844"	1157.53644	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+2K-H"	76.91904
"607489"	1697.84514	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+2K-H"	76.91904
"1095284"	617.22774	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2K-H"	76.91904
"147727"	579.271858	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"2M+2K"	77.926316
"590567"	849.426208	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"3M+2K"	77.926316
"1070342"	309.117508	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2K"	77.926316
"1108294"	619.242292	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2K+H"	78.933592
"1343589"	619.329907	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+DMSO+H"	79.021207
"1018317"	623.369076	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2ACN+H"	83.060376
"1533523"	624.362708	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+IsoProp+Na+H"	84.054008
"996690"	312.188176	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+2ACN+2H"	84.067652
"1591196"	625.277328	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+K+HCOOH"	84.968628
"1422324"	655.308838	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+H+CF3COOH"	115.000138
"1152612"	332.701451	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+3ACN+2H"	125.094202
"1703257"	672.335385	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+NH4+CF3COOH"	132.026685
"1647657"	677.29078	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+Na+CF3COOH"	136.98208
"1578934"	693.26472	"C17766"	"Condurangogenin C"	"C32H44O7"	"540.3087"	"M+K+CF3COOH"	152.95602
"801643"	538.2931	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M"	0
"987209"	519.27471	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-H2O-H"	-19.01839
"77639"	357.854790666667	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M-3H"	-3.021828
"518093"	537.285824	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M-3H"	-3.021828
"890630"	178.423757333333	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-3H"	-3.021828
"4831"	537.285824	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M-2H"	-2.014552
"445485"	806.432374	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M-2H"	-2.014552
"823286"	268.139274	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-2H"	-2.014552
"88746"	1075.578924	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M-H"	-1.007276
"532560"	1613.872024	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M-H"	-1.007276
"908297"	537.285824	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-H"	-1.007276
"62825"	1092.605471	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M-2H+NH4"	16.019271
"502600"	1630.898571	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M-2H+NH4"	16.019271
"879553"	554.312371	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-2H+NH4"	16.019271
"46977"	1097.560866	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M-2H+Na"	20.974666
"486976"	1635.853966	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M-2H+Na"	20.974666
"863649"	559.267766	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-2H+Na"	20.974666
"1633748"	559.267766	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Na-2H"	20.974666
"108088"	555.274163	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M-H+Cl"	33.962126
"544361"	824.420713	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M-H+Cl"	33.962126
"938969"	286.127613	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-H+Cl"	33.962126
"281537"	1111.555602	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+Cl"	34.969402
"669946"	1649.848702	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+Cl"	34.969402
"1280162"	573.262502	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Cl"	34.969402
"19800"	1113.534806	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M-2H+K"	36.948606
"464464"	1651.827906	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M-2H+K"	36.948606
"841172"	575.241706	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-2H+K"	36.948606
"1560284"	575.241706	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+K-2H"	36.948606
"947074"	583.291294	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-H+HCOOH"	44.998194
"364562"	1121.584401	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+HCOOH-H"	44.998201
"350268"	1135.600051	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+Hac-H"	59.013851
"1501289"	597.306951	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Hac-H"	59.013851
"963363"	605.273251	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-H+NaCOOH"	66.980151
"114459"	573.262502	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+2Cl"	69.938804
"555114"	842.409052	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+2Cl"	69.938804
"1025733"	304.115952	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2Cl"	69.938804
"1243495"	617.211985	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Br"	78.918885
"1316881"	619.267972	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Cl+HCOOH"	80.974872
"1327819"	641.249929	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Cl+NaCOOH"	102.956829
"915595"	651.278686	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M-H+CF3COOH"	112.985586
"1297774"	687.255364	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Cl+CF3COOH"	148.962264
"1377026"	503.280424	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H-2H2O"	-35.012676
"1385049"	521.2904	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H-H2O"	-17.0027
"286558"	1077.593476	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+H"	1.007276
"681167"	1615.886576	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+H"	1.007276
"1354234"	539.300376	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H"	1.007276
"127121"	539.300376	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+2H"	2.014552
"572153"	808.446926	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+2H"	2.014552
"1044233"	270.153826	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2H"	2.014552
"212133"	359.869342666667	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+3H"	3.021828
"650600"	539.300376	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+3H"	3.021828
"1166538"	180.438309333333	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+3H"	3.021828
"424419"	1094.620023	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+NH4"	18.033823
"786795"	1632.913123	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+NH4"	18.033823
"1681454"	556.326923	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+NH4"	18.033823
"330344"	547.8136495	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+H+NH4"	19.041099
"723129"	816.9601995	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+H+NH4"	19.041099
"1477228"	278.6670995	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H+NH4"	19.041099
"403632"	1099.575418	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+Na"	22.989218
"765719"	1637.868518	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+Na"	22.989218
"1611630"	561.282318	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Na"	22.989218
"322765"	550.291347	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+H+Na"	23.996494
"719561"	819.437897	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+H+Na"	23.996494
"1471194"	281.144797	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H+Na"	23.996494
"1058971"	187.765623333333	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2H+Na"	25.00377
"1265021"	571.326586	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+CH3OH+H"	33.033486
"386874"	1115.549358	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+K"	38.963158
"745687"	1653.842458	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+K"	38.963158
"1548831"	577.256258	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+K"	38.963158
"307100"	558.278317	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+H+K"	39.970434
"701711"	827.424867	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+H+K"	39.970434
"1451158"	289.131767	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H+K"	39.970434
"236842"	1118.620026	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+ACN+H"	42.033826
"1212101"	580.326926	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+ACN+H"	42.033826
"1195255"	290.667101	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+ACN+2H"	43.041102
"188588"	1121.55736	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+2Na-H"	44.97116
"628524"	1659.85046	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+2Na-H"	44.97116
"1131632"	583.26426	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2Na-H"	44.97116
"177769"	561.282318	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+2Na"	45.978436
"622801"	830.428868	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+2Na"	45.978436
"1123026"	292.135768	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2Na"	45.978436
"1413602"	195.092937333333	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H+2Na"	46.985712
"1441948"	585.305846	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H+HCOOH"	47.012746
"232376"	566.31534	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+3H2O+2H"	56.04448
"1523804"	599.35789	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+IsoProp+H"	61.06479
"420487"	569.269288	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+Na+K"	61.952376
"781484"	838.415838	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+Na+K"	61.952376
"1680490"	300.122738	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Na+K"	61.952376
"265428"	1140.601968	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+ACN+Na"	64.015768
"1238138"	602.308868	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+ACN+Na"	64.015768
"1723745"	602.332393	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+NH4+HCOOH"	64.039293
"1189099"	202.420251333333	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+3Na"	68.967654
"1663001"	607.287788	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Na+HCOOH"	68.994688
"170226"	1153.50524	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+2K-H"	76.91904
"607235"	1691.79834	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+2K-H"	76.91904
"1095030"	615.21214	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2K-H"	76.91904
"150024"	577.256258	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"2M+2K"	77.926316
"587397"	846.402808	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"3M+2K"	77.926316
"1071911"	308.109708	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2K"	77.926316
"1107311"	617.226692	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2K+H"	78.933592
"1343699"	617.314307	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+DMSO+H"	79.021207
"1019155"	621.353476	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2ACN+H"	83.060376
"1533633"	622.347108	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+IsoProp+Na+H"	84.054008
"994614"	311.180376	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+2ACN+2H"	84.067652
"1591306"	623.261728	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+K+HCOOH"	84.968628
"1422434"	653.293238	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+H+CF3COOH"	115.000138
"1152722"	331.693651	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+3ACN+2H"	125.094202
"1706647"	670.319785	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+NH4+CF3COOH"	132.026685
"1647767"	675.27518	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+Na+CF3COOH"	136.98208
"1582324"	691.24912	"C17767"	"Condurangogenin A;Kondurangogenin A"	"C32H42O7"	"538.2931"	"M+K+CF3COOH"	152.95602
"802848"	1148.5767	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M"	0
"988657"	1129.55831	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-H2O-H"	-19.01839
"77507"	764.710524	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M-3H"	-3.021828
"518042"	1147.569424	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M-3H"	-3.021828
"891835"	381.851624	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-3H"	-3.021828
"9316"	1147.569424	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M-2H"	-2.014552
"445595"	1721.857774	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M-2H"	-2.014552
"829593"	573.281074	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-2H"	-2.014552
"89950"	2296.146124	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M-H"	-1.007276
"532185"	3444.722824	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M-H"	-1.007276
"910799"	1147.569424	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-H"	-1.007276
"62262"	2313.172671	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M-2H+NH4"	16.019271
"501982"	3461.749371	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M-2H+NH4"	16.019271
"878940"	1164.595971	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-2H+NH4"	16.019271
"47065"	2318.128066	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M-2H+Na"	20.974666
"485670"	3466.704766	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M-2H+Na"	20.974666
"863231"	1169.551366	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-2H+Na"	20.974666
"1633371"	1169.551366	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Na-2H"	20.974666
"109416"	1165.557763	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M-H+Cl"	33.962126
"547267"	1739.846113	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M-H+Cl"	33.962126
"937987"	591.269413	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-H+Cl"	33.962126
"276541"	2332.122802	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+Cl"	34.969402
"666775"	3480.699502	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+Cl"	34.969402
"1279178"	1183.546102	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Cl"	34.969402
"20638"	2334.102006	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M-2H+K"	36.948606
"463479"	3482.678706	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M-2H+K"	36.948606
"840187"	1185.525306	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-2H+K"	36.948606
"1562580"	1185.525306	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+K-2H"	36.948606
"950465"	1193.574894	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-H+HCOOH"	44.998194
"365401"	2342.151601	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+HCOOH-H"	44.998201
"350377"	2356.167251	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+Hac-H"	59.013851
"1502492"	1207.590551	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Hac-H"	59.013851
"963475"	1215.556851	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-H+NaCOOH"	66.980151
"117850"	1183.546102	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+2Cl"	69.938804
"558504"	1757.834452	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+2Cl"	69.938804
"1023049"	609.257752	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2Cl"	69.938804
"1243605"	1227.495585	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Br"	78.918885
"1314440"	1229.551572	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Cl+HCOOH"	80.974872
"1330481"	1251.533529	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Cl+NaCOOH"	102.956829
"920081"	1261.562286	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M-H+CF3COOH"	112.985586
"1297884"	1297.538964	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Cl+CF3COOH"	148.962264
"1377136"	1113.564024	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H-2H2O"	-35.012676
"1384794"	1131.574	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H-H2O"	-17.0027
"288857"	2298.160676	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+H"	1.007276
"679090"	3446.737376	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+H"	1.007276
"1354343"	1149.583976	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H"	1.007276
"128693"	1149.583976	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+2H"	2.014552
"570441"	1723.872326	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+2H"	2.014552
"1044344"	575.295626	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2H"	2.014552
"211151"	766.725076	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+3H"	3.021828
"650710"	1149.583976	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+3H"	3.021828
"1168835"	383.866176	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+3H"	3.021828
"425057"	2315.187223	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+NH4"	18.033823
"787999"	3463.763923	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+NH4"	18.033823
"1682137"	1166.610523	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+NH4"	18.033823
"330539"	1158.0972495	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+H+NH4"	19.041099
"723124"	1732.3855995	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+H+NH4"	19.041099
"1477307"	583.8088995	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H+NH4"	19.041099
"405565"	2320.142618	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+Na"	22.989218
"766922"	3468.719318	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+Na"	22.989218
"1611740"	1171.565918	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Na"	22.989218
"322875"	1160.574947	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+H+Na"	23.996494
"717484"	1734.863297	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+H+Na"	23.996494
"1468024"	586.286597	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H+Na"	23.996494
"1061267"	391.19349	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2H+Na"	25.00377
"1267318"	1181.610186	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+CH3OH+H"	33.033486
"388079"	2336.116558	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+K"	38.963158
"750900"	3484.693258	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+K"	38.963158
"1548943"	1187.539858	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+K"	38.963158
"308304"	1168.561917	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+H+K"	39.970434
"702914"	1742.850267	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+H+K"	39.970434
"1454549"	594.273567	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H+K"	39.970434
"236223"	2339.187226	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+ACN+H"	42.033826
"1213305"	1190.610526	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+ACN+H"	42.033826
"1201928"	595.808901	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+ACN+2H"	43.041102
"196985"	2342.12456	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+2Na-H"	44.97116
"629005"	3490.70126	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+2Na-H"	44.97116
"1131743"	1193.54786	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2Na-H"	44.97116
"173210"	1171.565918	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+2Na"	45.978436
"626191"	1745.854268	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+2Na"	45.978436
"1122041"	597.277568	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2Na"	45.978436
"1413232"	398.520804	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H+2Na"	46.985712
"1442431"	1195.589446	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H+HCOOH"	47.012746
"232122"	1176.59894	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+3H2O+2H"	56.04448
"1519819"	1209.64149	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+IsoProp+H"	61.06479
"418411"	1179.552888	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+Na+K"	61.952376
"778313"	1753.841238	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+Na+K"	61.952376
"1672092"	605.264538	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Na+K"	61.952376
"261164"	2361.169168	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+ACN+Na"	64.015768
"1237155"	1212.592468	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+ACN+Na"	64.015768
"1719481"	1212.615993	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+NH4+HCOOH"	64.039293
"1187388"	405.848118	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+3Na"	68.967654
"1660925"	1217.571388	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Na+HCOOH"	68.994688
"167422"	2374.07244	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+2K-H"	76.91904
"603335"	3522.64914	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+2K-H"	76.91904
"1088943"	1225.49574	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2K-H"	76.91904
"143205"	1187.539858	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"2M+2K"	77.926316
"584227"	1761.828208	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"3M+2K"	77.926316
"1072021"	613.251508	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2K"	77.926316
"1109242"	1227.510292	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2K+H"	78.933592
"1351189"	1227.597907	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+DMSO+H"	79.021207
"1019631"	1231.637076	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2ACN+H"	83.060376
"1537023"	1232.630708	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+IsoProp+Na+H"	84.054008
"1002378"	616.322176	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+2ACN+2H"	84.067652
"1593602"	1233.545328	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+K+HCOOH"	84.968628
"1422544"	1263.576838	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+H+CF3COOH"	115.000138
"1153925"	636.835451	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+3ACN+2H"	125.094202
"1706757"	1280.603385	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+NH4+CF3COOH"	132.026685
"1647877"	1285.55878	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+Na+CF3COOH"	136.98208
"1582434"	1301.53272	"C17768"	"Condurango glycoside A0"	"C59H88O22"	"1148.5767"	"M+K+CF3COOH"	152.95602
"809519"	988.5396	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M"	0
"988522"	969.52121	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-H2O-H"	-19.01839
"77738"	658.019124	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M-3H"	-3.021828
"509764"	987.532324	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M-3H"	-3.021828
"893036"	328.505924	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-3H"	-3.021828
"13800"	987.532324	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M-2H"	-2.014552
"452266"	1481.802124	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M-2H"	-2.014552
"826787"	493.262524	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-2H"	-2.014552
"91153"	1976.071924	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M-H"	-1.007276
"533760"	2964.611524	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M-H"	-1.007276
"910795"	987.532324	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-H"	-1.007276
"62662"	1993.098471	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M-2H+NH4"	16.019271
"501976"	2981.638071	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M-2H+NH4"	16.019271
"879676"	1004.558871	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-2H+NH4"	16.019271
"46668"	1998.053866	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M-2H+Na"	20.974666
"486839"	2986.593466	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M-2H+Na"	20.974666
"863343"	1009.514266	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-2H+Na"	20.974666
"1633891"	1009.514266	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Na-2H"	20.974666
"109283"	1005.520663	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M-H+Cl"	33.962126
"547862"	1499.790463	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M-H+Cl"	33.962126
"941014"	511.250863	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-H+Cl"	33.962126
"276651"	2012.048602	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+Cl"	34.969402
"666885"	3000.588202	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+Cl"	34.969402
"1277102"	1023.509002	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Cl"	34.969402
"21113"	2014.027806	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M-2H+K"	36.948606
"463588"	3002.567406	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M-2H+K"	36.948606
"838109"	1025.488206	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-2H+K"	36.948606
"1560505"	1025.488206	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+K-2H"	36.948606
"947295"	1033.537794	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-H+HCOOH"	44.998194
"364416"	2022.077401	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+HCOOH-H"	44.998201
"349758"	2036.093051	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+Hac-H"	59.013851
"1500412"	1047.553451	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Hac-H"	59.013851
"965769"	1055.519751	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-H+NaCOOH"	66.980151
"119050"	1023.509002	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+2Cl"	69.938804
"557520"	1517.778802	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+2Cl"	69.938804
"1027046"	529.239202	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2Cl"	69.938804
"1243348"	1067.458485	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Br"	78.918885
"1311632"	1069.514472	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Cl+HCOOH"	80.974872
"1328039"	1091.496429	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Cl+NaCOOH"	102.956829
"916911"	1101.525186	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M-H+CF3COOH"	112.985586
"1290339"	1137.501864	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Cl+CF3COOH"	148.962264
"1369592"	953.526924	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H-2H2O"	-35.012676
"1383811"	971.5369	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H-H2O"	-17.0027
"287873"	1978.086476	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+H"	1.007276
"678106"	2966.626076	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+H"	1.007276
"1354454"	989.546876	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H"	1.007276
"128438"	989.546876	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+2H"	2.014552
"570551"	1483.816676	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+2H"	2.014552
"1043360"	495.277076	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2H"	2.014552
"211260"	660.033676	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+3H"	3.021828
"650820"	989.546876	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+3H"	3.021828
"1167852"	330.520476	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+3H"	3.021828
"425533"	1995.113023	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+NH4"	18.033823
"787016"	2983.652623	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+NH4"	18.033823
"1681763"	1006.573423	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+NH4"	18.033823
"331258"	998.0601495	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+H+NH4"	19.041099
"723802"	1492.3299495	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+H+NH4"	19.041099
"1477987"	503.7903495	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H+NH4"	19.041099
"407133"	2000.068418	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+Na"	22.989218
"767762"	2988.608018	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+Na"	22.989218
"1611850"	1011.528818	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Na"	22.989218
"324078"	1000.537847	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+H+Na"	23.996494
"717594"	1494.807647	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+H+Na"	23.996494
"1471413"	506.268047	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H+Na"	23.996494
"1062470"	337.84779	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2H+Na"	25.00377
"1268521"	1021.573086	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+CH3OH+H"	33.033486
"388190"	2016.042358	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+K"	38.963158
"749916"	3004.581958	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+K"	38.963158
"1547959"	1027.502758	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+K"	38.963158
"304040"	1008.524817	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+H+K"	39.970434
"700837"	1502.794617	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+H+K"	39.970434
"1453565"	514.255017	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H+K"	39.970434
"237061"	2019.113026	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+ACN+H"	42.033826
"1214508"	1030.573426	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+ACN+H"	42.033826
"1203131"	515.790351	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+ACN+2H"	43.041102
"197095"	2022.05036	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+2Na-H"	44.97116
"632281"	3010.58996	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+2Na-H"	44.97116
"1131809"	1033.51076	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2Na-H"	44.97116
"173241"	1011.528818	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+2Na"	45.978436
"621926"	1505.798618	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+2Na"	45.978436
"1125430"	517.259018	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2Na"	45.978436
"1412364"	345.175104	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H+2Na"	46.985712
"1442784"	1035.552346	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H+HCOOH"	47.012746
"233569"	1016.56184	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+3H2O+2H"	56.04448
"1518836"	1049.60439	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+IsoProp+H"	61.06479
"418521"	1019.515788	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+Na+K"	61.952376
"780609"	1513.785588	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+Na+K"	61.952376
"1671838"	525.245988	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Na+K"	61.952376
"264190"	2041.094968	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+ACN+Na"	64.015768
"1236173"	1052.555368	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+ACN+Na"	64.015768
"1721778"	1052.578893	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+NH4+HCOOH"	64.039293
"1188955"	352.502418	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+3Na"	68.967654
"1659940"	1057.534288	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Na+HCOOH"	68.994688
"166071"	2053.99824	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+2K-H"	76.91904
"601623"	3042.53784	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+2K-H"	76.91904
"1089417"	1065.45864	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2K-H"	76.91904
"146963"	1027.502758	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"2M+2K"	77.926316
"587618"	1521.772558	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"3M+2K"	77.926316
"1072130"	533.232958	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2K"	77.926316
"1107530"	1067.473192	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2K+H"	78.933592
"1351244"	1067.560807	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+DMSO+H"	79.021207
"1020714"	1071.599976	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2ACN+H"	83.060376
"1533852"	1072.593608	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+IsoProp+Na+H"	84.054008
"1003580"	536.303626	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+2ACN+2H"	84.067652
"1598085"	1073.508228	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+K+HCOOH"	84.968628
"1419373"	1103.539738	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+H+CF3COOH"	115.000138
"1155127"	556.816901	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+3ACN+2H"	125.094202
"1706867"	1120.566285	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+NH4+CF3COOH"	132.026685
"1644707"	1125.52168	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+Na+CF3COOH"	136.98208
"1582544"	1141.49562	"C17769"	"Condurango glycoside C"	"C53H80O17"	"988.5396"	"M+K+CF3COOH"	152.95602
"801974"	382.2355	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M"	0
"985350"	363.21711	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-H2O-H"	-19.01839
"72501"	253.816390666667	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M-3H"	-3.021828
"507687"	381.228224	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M-3H"	-3.021828
"893146"	126.404557333333	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-3H"	-3.021828
"13910"	381.228224	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M-2H"	-2.014552
"452376"	572.345974	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M-2H"	-2.014552
"826897"	190.110474	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-2H"	-2.014552
"91263"	763.463724	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M-H"	-1.007276
"533946"	1145.699224	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M-H"	-1.007276
"910949"	381.228224	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-H"	-1.007276
"62165"	780.490271	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M-2H+NH4"	16.019271
"502331"	1162.725771	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M-2H+NH4"	16.019271
"879325"	398.254771	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-2H+NH4"	16.019271
"46574"	785.445666	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M-2H+Na"	20.974666
"486262"	1167.681166	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M-2H+Na"	20.974666
"862968"	403.210166	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-2H+Na"	20.974666
"1633669"	403.210166	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Na-2H"	20.974666
"108542"	399.216563	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M-H+Cl"	33.962126
"546878"	590.334313	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M-H+Cl"	33.962126
"939300"	208.098813	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-H+Cl"	33.962126
"275668"	799.440402	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+Cl"	34.969402
"664809"	1181.675902	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+Cl"	34.969402
"1277212"	417.204902	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Cl"	34.969402
"21951"	801.419606	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M-2H+K"	36.948606
"463698"	1183.655106	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M-2H+K"	36.948606
"839313"	419.184106	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-2H+K"	36.948606
"1562802"	419.184106	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+K-2H"	36.948606
"948132"	427.233694	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-H+HCOOH"	44.998194
"366712"	809.469201	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+HCOOH-H"	44.998201
"350960"	823.484851	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+Hac-H"	59.013851
"1499790"	441.249351	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Hac-H"	59.013851
"966971"	449.215651	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-H+NaCOOH"	66.980151
"121348"	417.204902	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+2Cl"	69.938804
"556536"	608.322652	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+2Cl"	69.938804
"1026429"	226.087152	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2Cl"	69.938804
"1242731"	461.154385	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Br"	78.918885
"1307368"	463.210372	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Cl+HCOOH"	80.974872
"1328149"	485.192329	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Cl+NaCOOH"	102.956829
"911918"	495.221086	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M-H+CF3COOH"	112.985586
"1289720"	531.197764	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Cl+CF3COOH"	148.962264
"1368609"	347.222824	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H-2H2O"	-35.012676
"1382768"	365.2328	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H-H2O"	-17.0027
"287983"	765.478276	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+H"	1.007276
"677487"	1147.713776	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+H"	1.007276
"1354565"	383.242776	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H"	1.007276
"127820"	383.242776	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+2H"	2.014552
"570297"	574.360526	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+2H"	2.014552
"1042377"	192.125026	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2H"	2.014552
"211370"	255.830942666667	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+3H"	3.021828
"652024"	383.242776	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+3H"	3.021828
"1167962"	128.419109333333	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+3H"	3.021828
"424791"	782.504823	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+NH4"	18.033823
"786396"	1164.740323	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+NH4"	18.033823
"1681511"	400.269323	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+NH4"	18.033823
"330311"	391.7560495	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+H+NH4"	19.041099
"723300"	582.8737995	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+H+NH4"	19.041099
"1478339"	200.6382995	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H+NH4"	19.041099
"405784"	787.460218	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+Na"	22.989218
"767143"	1169.695718	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+Na"	22.989218
"1610871"	405.224718	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Na"	22.989218
"323095"	394.233747	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+H+Na"	23.996494
"717704"	585.351497	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+H+Na"	23.996494
"1473713"	203.115997	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H+Na"	23.996494
"1063675"	135.746423333333	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2H+Na"	25.00377
"1269725"	415.268986	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+CH3OH+H"	33.033486
"388300"	803.434158	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+K"	38.963158
"749297"	1185.669658	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+K"	38.963158
"1548070"	421.198658	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+K"	38.963158
"307433"	402.220717	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+H+K"	39.970434
"698762"	593.338467	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+H+K"	39.970434
"1453675"	211.102967	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H+K"	39.970434
"237172"	806.504826	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+ACN+H"	42.033826
"1219358"	424.269326	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+ACN+H"	42.033826
"1198867"	212.638301	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+ACN+2H"	43.041102
"192103"	809.44216	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+2Na-H"	44.97116
"635673"	1191.67766	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+2Na-H"	44.97116
"1132249"	427.20666	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2Na-H"	44.97116
"174203"	405.224718	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+2Na"	45.978436
"622036"	596.342468	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+2Na"	45.978436
"1125540"	214.106968	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2Na"	45.978436
"1412352"	143.073737333333	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H+2Na"	46.985712
"1443623"	429.248246	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H+HCOOH"	47.012746
"231979"	410.25774	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+3H2O+2H"	56.04448
"1520771"	443.30029	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+IsoProp+H"	61.06479
"418631"	413.211688	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+Na+K"	61.952376
"778532"	604.329438	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+Na+K"	61.952376
"1674863"	222.093938	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Na+K"	61.952376
"264300"	828.486768	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+ACN+Na"	64.015768
"1236283"	446.251268	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+ACN+Na"	64.015768
"1722982"	446.274793	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+NH4+HCOOH"	64.039293
"1186150"	150.401051333333	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+3Na"	68.967654
"1660050"	451.230188	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Na+HCOOH"	68.994688
"165088"	841.39004	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+2K-H"	76.91904
"602826"	1223.62554	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+2K-H"	76.91904
"1089163"	459.15454	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2K-H"	76.91904
"147073"	421.198658	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"2M+2K"	77.926316
"584445"	612.316408	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"3M+2K"	77.926316
"1072241"	230.080908	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2K"	77.926316
"1107640"	461.169092	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2K+H"	78.933592
"1347308"	461.256707	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+DMSO+H"	79.021207
"1016936"	465.295876	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2ACN+H"	83.060376
"1533962"	466.289508	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+IsoProp+Na+H"	84.054008
"999317"	233.151576	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+2ACN+2H"	84.067652
"1600382"	467.204128	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+K+HCOOH"	84.968628
"1420576"	497.235638	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+H+CF3COOH"	115.000138
"1153050"	253.664851	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+3ACN+2H"	125.094202
"1704790"	514.262185	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+NH4+CF3COOH"	132.026685
"1644817"	519.21758	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+Na+CF3COOH"	136.98208
"1582654"	535.19152	"C17770"	"Sarcostin"	"C21H34O6"	"382.2355"	"M+K+CF3COOH"	152.95602
"803178"	329.1111	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M"	0
"985460"	310.09271	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-H2O-H"	-19.01839
"69331"	218.400124	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M-3H"	-3.021828
"507797"	328.103824	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M-3H"	-3.021828
"887788"	108.696424	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-3H"	-3.021828
"10738"	328.103824	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M-2H"	-2.014552
"448112"	492.659374	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M-2H"	-2.014552
"827008"	163.548274	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-2H"	-2.014552
"85905"	657.214924	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M-H"	-1.007276
"533368"	986.326024	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M-H"	-1.007276
"910929"	328.103824	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-H"	-1.007276
"62511"	674.241471	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M-2H+NH4"	16.019271
"502680"	1003.352571	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M-2H+NH4"	16.019271
"879894"	345.130371	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-2H+NH4"	16.019271
"47066"	679.196866	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M-2H+Na"	20.974666
"486980"	1008.307966	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M-2H+Na"	20.974666
"864157"	350.085766	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-2H+Na"	20.974666
"1634096"	350.085766	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Na-2H"	20.974666
"109383"	346.092163	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M-H+Cl"	33.962126
"543707"	510.647713	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M-H+Cl"	33.962126
"936129"	181.536613	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-H+Cl"	33.962126
"275777"	693.191602	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+Cl"	34.969402
"667105"	1022.302702	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+Cl"	34.969402
"1278413"	364.080502	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Cl"	34.969402
"20968"	695.170806	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M-2H+K"	36.948606
"463808"	1024.281906	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M-2H+K"	36.948606
"838692"	366.059706	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-2H+K"	36.948606
"1560725"	366.059706	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+K-2H"	36.948606
"947514"	374.109294	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-H+HCOOH"	44.998194
"365730"	703.220401	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+HCOOH-H"	44.998201
"351800"	717.236051	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+Hac-H"	59.013851
"1497350"	388.124951	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Hac-H"	59.013851
"968175"	396.091251	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-H+NaCOOH"	66.980151
"119271"	364.080502	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+2Cl"	69.938804
"554460"	528.636052	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+2Cl"	69.938804
"1025446"	199.524952	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2Cl"	69.938804
"1243203"	408.029985	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Br"	78.918885
"1307478"	410.085972	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Cl+HCOOH"	80.974872
"1328259"	432.067929	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Cl+NaCOOH"	102.956829
"917131"	442.096686	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M-H+CF3COOH"	112.985586
"1290194"	478.073364	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Cl+CF3COOH"	148.962264
"1368719"	294.098424	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H-2H2O"	-35.012676
"1384032"	312.1084	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H-H2O"	-17.0027
"283718"	659.229476	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+H"	1.007276
"676140"	988.340576	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+H"	1.007276
"1352853"	330.118376	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H"	1.007276
"127929"	330.118376	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+2H"	2.014552
"569312"	494.673926	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+2H"	2.014552
"1040664"	165.562826	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2H"	2.014552
"208563"	220.414676	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+3H"	3.021828
"649947"	330.118376	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+3H"	3.021828
"1164183"	110.710976	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+3H"	3.021828
"424658"	676.256023	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+NH4"	18.033823
"786017"	1005.367123	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+NH4"	18.033823
"1681416"	347.144923	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+NH4"	18.033823
"330030"	338.6316495	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+H+NH4"	19.041099
"722887"	503.1871995	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+H+NH4"	19.041099
"1477838"	174.0760995	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H+NH4"	19.041099
"405166"	681.211418	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+Na"	22.989218
"763974"	1010.322518	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+Na"	22.989218
"1610981"	352.100318	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Na"	22.989218
"329534"	341.109347	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+H+Na"	23.996494
"722239"	505.664897	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+H+Na"	23.996494
"1476747"	176.553797	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H+Na"	23.996494
"1065609"	118.03829	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2H+Na"	25.00377
"1269473"	362.144586	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+CH3OH+H"	33.033486
"387318"	697.185358	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+K"	38.963158
"751595"	1026.296458	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+K"	38.963158
"1549274"	368.074258	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+K"	38.963158
"307543"	349.096317	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+H+K"	39.970434
"701061"	513.651867	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+H+K"	39.970434
"1450504"	184.540767	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H+K"	39.970434
"242387"	700.256026	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+ACN+H"	42.033826
"1212906"	371.144926	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+ACN+H"	42.033826
"1202258"	186.076101	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+ACN+2H"	43.041102
"190145"	703.19336	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+2Na-H"	44.97116
"635783"	1032.30446	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+2Na-H"	44.97116
"1132482"	374.08226	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2Na-H"	44.97116
"174313"	352.100318	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+2Na"	45.978436
"624332"	516.655868	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+2Na"	45.978436
"1122370"	187.544768	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2Na"	45.978436
"1412948"	125.365604	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H+2Na"	46.985712
"1444461"	376.123846	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H+HCOOH"	47.012746
"232088"	357.13334	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+3H2O+2H"	56.04448
"1522337"	390.17589	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+IsoProp+H"	61.06479
"418743"	360.087288	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+Na+K"	61.952376
"781923"	524.642838	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+Na+K"	61.952376
"1672057"	195.531738	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Na+K"	61.952376
"261494"	722.237968	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+ACN+Na"	64.015768
"1237485"	393.126868	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+ACN+Na"	64.015768
"1723090"	393.150393	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+NH4+HCOOH"	64.039293
"1186258"	132.692918	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+3Na"	68.967654
"1660524"	398.105788	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Na+HCOOH"	68.994688
"166291"	735.14124	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+2K-H"	76.91904
"600750"	1064.25234	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+2K-H"	76.91904
"1089273"	406.03014	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2K-H"	76.91904
"143903"	368.074258	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"2M+2K"	77.926316
"585649"	532.629808	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"3M+2K"	77.926316
"1072351"	203.518708	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2K"	77.926316
"1107750"	408.044692	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2K+H"	78.933592
"1343045"	408.132307	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+DMSO+H"	79.021207
"1017046"	412.171476	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2ACN+H"	83.060376
"1534072"	413.165108	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+IsoProp+Na+H"	84.054008
"999427"	206.589376	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+2ACN+2H"	84.067652
"1596118"	414.079728	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+K+HCOOH"	84.968628
"1418499"	444.111238	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+H+CF3COOH"	115.000138
"1152067"	227.102651	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+3ACN+2H"	125.094202
"1703807"	461.137785	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+NH4+CF3COOH"	132.026685
"1644927"	466.09318	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+Na+CF3COOH"	136.98208
"1582764"	482.06712	"C17771"	"Lithospermoside;Griffonin"	"C14H19NO8"	"329.1111"	"M+K+CF3COOH"	152.95602
"802558"	580.1581	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M"	0
"986663"	561.13971	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-H2O-H"	-19.01839
"69441"	385.764790666667	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M-3H"	-3.021828
"507907"	579.150824	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M-3H"	-3.021828
"891179"	192.378757333333	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-3H"	-3.021828
"13035"	579.150824	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M-2H"	-2.014552
"451503"	869.229874	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M-2H"	-2.014552
"831615"	289.071774	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-2H"	-2.014552
"93800"	1159.308924	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M-H"	-1.007276
"534201"	1739.467024	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M-H"	-1.007276
"911317"	579.150824	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-H"	-1.007276
"62626"	1176.335471	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M-2H+NH4"	16.019271
"502757"	1756.493571	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M-2H+NH4"	16.019271
"879898"	596.177371	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-2H+NH4"	16.019271
"47078"	1181.290866	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M-2H+Na"	20.974666
"487086"	1761.448966	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M-2H+Na"	20.974666
"864174"	601.132766	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-2H+Na"	20.974666
"1633886"	601.132766	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Na-2H"	20.974666
"109899"	597.139163	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M-H+Cl"	33.962126
"544913"	887.218213	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M-H+Cl"	33.962126
"935147"	307.060113	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-H+Cl"	33.962126
"272607"	1195.285602	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+Cl"	34.969402
"663937"	1775.443702	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+Cl"	34.969402
"1274515"	615.127502	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Cl"	34.969402
"19254"	1197.264806	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M-2H+K"	36.948606
"457723"	1777.422906	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M-2H+K"	36.948606
"835526"	617.106706	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-2H+K"	36.948606
"1557555"	617.106706	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+K-2H"	36.948606
"944103"	625.156294	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-H+HCOOH"	44.998194
"364749"	1205.314401	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+HCOOH-H"	44.998201
"348632"	1219.330051	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+Hac-H"	59.013851
"1499651"	639.171951	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Hac-H"	59.013851
"963913"	647.138251	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-H+NaCOOH"	66.980151
"113917"	615.127502	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+2Cl"	69.938804
"553480"	905.206552	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+2Cl"	69.938804
"1023371"	325.048452	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2Cl"	69.938804
"1241979"	659.076985	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Br"	78.918885
"1310868"	661.132972	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Cl+HCOOH"	80.974872
"1328369"	683.114929	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Cl+NaCOOH"	102.956829
"917605"	693.143686	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M-H+CF3COOH"	112.985586
"1292491"	729.120364	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Cl+CF3COOH"	148.962264
"1372110"	545.145424	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H-2H2O"	-35.012676
"1383895"	563.1554	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H-H2O"	-17.0027
"287473"	1161.323476	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+H"	1.007276
"680989"	1741.481576	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+H"	1.007276
"1360256"	581.165376	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H"	1.007276
"135332"	581.165376	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+2H"	2.014552
"572705"	871.244426	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+2H"	2.014552
"1044786"	291.086326	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2H"	2.014552
"208312"	387.779342666667	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+3H"	3.021828
"646409"	581.165376	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+3H"	3.021828
"1165629"	194.393309333333	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+3H"	3.021828
"427080"	1178.350023	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+NH4"	18.033823
"786252"	1758.508123	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+NH4"	18.033823
"1681292"	598.191923	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+NH4"	18.033823
"330494"	589.6786495	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+H+NH4"	19.041099
"723399"	879.7576995	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+H+NH4"	19.041099
"1477380"	299.5995995	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H+NH4"	19.041099
"405275"	1183.305418	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+Na"	22.989218
"765177"	1763.463518	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+Na"	22.989218
"1612180"	603.147318	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Na"	22.989218
"328791"	592.156347	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+H+Na"	23.996494
"722309"	882.235397	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+H+Na"	23.996494
"1476940"	302.077297	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H+Na"	23.996494
"1067547"	201.720623333333	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2H+Na"	25.00377
"1269953"	613.191586	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+CH3OH+H"	33.033486
"387429"	1199.279358	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+K"	38.963158
"749884"	1779.437458	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+K"	38.963158
"1554977"	619.121258	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+K"	38.963158
"312029"	600.143317	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+H+K"	39.970434
"700806"	890.222367	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+H+K"	39.970434
"1450616"	310.064267	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H+K"	39.970434
"239216"	1202.350026	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+ACN+H"	42.033826
"1212289"	622.191926	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+ACN+H"	42.033826
"1197996"	311.599601	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+ACN+2H"	43.041102
"189161"	1205.28736	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+2Na-H"	44.97116
"630420"	1785.44546	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+2Na-H"	44.97116
"1132594"	625.12926	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2Na-H"	44.97116
"175400"	603.147318	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+2Na"	45.978436
"628367"	893.226368	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+2Na"	45.978436
"1130137"	313.068268	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2Na"	45.978436
"1413789"	209.047937333333	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H+2Na"	46.985712
"1443963"	627.170846	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H+HCOOH"	47.012746
"235367"	608.18034	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+3H2O+2H"	56.04448
"1520264"	641.22289	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+IsoProp+H"	61.06479
"415575"	611.134288	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+Na+K"	61.952376
"779851"	901.213338	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+Na+K"	61.952376
"1677275"	321.055238	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Na+K"	61.952376
"260512"	1224.331968	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+ACN+Na"	64.015768
"1234313"	644.173868	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+ACN+Na"	64.015768
"1723200"	644.197393	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+NH4+HCOOH"	64.039293
"1189285"	216.375251333333	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+3Na"	68.967654
"1656263"	649.152788	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Na+HCOOH"	68.994688
"167499"	1237.23524	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+2K-H"	76.91904
"604871"	1817.39334	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+2K-H"	76.91904
"1092663"	657.07714	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2K-H"	76.91904
"150575"	619.121258	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"2M+2K"	77.926316
"584668"	909.200308	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"3M+2K"	77.926316
"1072461"	329.042208	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2K"	77.926316
"1107860"	659.091692	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2K+H"	78.933592
"1345342"	659.179307	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+DMSO+H"	79.021207
"1019219"	663.218476	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2ACN+H"	83.060376
"1534184"	664.212108	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+IsoProp+Na+H"	84.054008
"1003911"	332.112876	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+2ACN+2H"	84.067652
"1599511"	665.126728	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+K+HCOOH"	84.968628
"1419702"	695.158238	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+H+CF3COOH"	115.000138
"1156552"	352.626151	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+3ACN+2H"	125.094202
"1701730"	712.184785	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+NH4+CF3COOH"	132.026685
"1648317"	717.14018	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+Na+CF3COOH"	136.98208
"1582874"	733.11412	"C17772"	"Gambiriin A1"	"C30H28O12"	"580.1581"	"M+K+CF3COOH"	152.95602
"802304"	580.1581	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M"	0
"985680"	561.13971	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-H2O-H"	-19.01839
"66268"	385.764790666667	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M-3H"	-3.021828
"504734"	579.150824	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M-3H"	-3.021828
"879986"	192.378757333333	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-3H"	-3.021828
"12051"	579.150824	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M-2H"	-2.014552
"451613"	869.229874	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M-2H"	-2.014552
"832089"	289.071774	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-2H"	-2.014552
"94069"	1159.308924	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M-H"	-1.007276
"533101"	1739.467024	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M-H"	-1.007276
"911348"	579.150824	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-H"	-1.007276
"59685"	1176.335471	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M-2H+NH4"	16.019271
"502746"	1756.493571	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M-2H+NH4"	16.019271
"879812"	596.177371	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-2H+NH4"	16.019271
"46993"	1181.290866	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M-2H+Na"	20.974666
"487034"	1761.448966	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M-2H+Na"	20.974666
"864103"	601.132766	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-2H+Na"	20.974666
"1632944"	601.132766	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Na-2H"	20.974666
"109475"	597.139163	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M-H+Cl"	33.962126
"542836"	887.218213	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M-H+Cl"	33.962126
"935256"	307.060113	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-H+Cl"	33.962126
"272717"	1195.285602	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+Cl"	34.969402
"662953"	1775.443702	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+Cl"	34.969402
"1273531"	615.127502	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Cl"	34.969402
"17909"	1197.264806	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M-2H+K"	36.948606
"458562"	1777.422906	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M-2H+K"	36.948606
"834908"	617.106706	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-2H+K"	36.948606
"1557299"	617.106706	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+K-2H"	36.948606
"944456"	625.156294	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-H+HCOOH"	44.998194
"362673"	1205.314401	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+HCOOH-H"	44.998201
"348742"	1219.330051	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+Hac-H"	59.013851
"1496481"	639.171951	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Hac-H"	59.013851
"965116"	647.138251	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-H+NaCOOH"	66.980151
"115120"	615.127502	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+2Cl"	69.938804
"551767"	905.206552	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+2Cl"	69.938804
"1024574"	325.048452	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2Cl"	69.938804
"1243060"	659.076985	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Br"	78.918885
"1310978"	661.132972	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Cl+HCOOH"	80.974872
"1325199"	683.114929	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Cl+NaCOOH"	102.956829
"917351"	693.143686	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M-H+CF3COOH"	112.985586
"1291873"	729.120364	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Cl+CF3COOH"	148.962264
"1367966"	545.145424	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H-2H2O"	-35.012676
"1390807"	563.1554	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H-H2O"	-17.0027
"285028"	1161.323476	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+H"	1.007276
"678544"	1741.481576	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+H"	1.007276
"1352709"	581.165376	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H"	1.007276
"126692"	581.165376	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+2H"	2.014552
"572815"	871.244426	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+2H"	2.014552
"1044896"	291.086326	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2H"	2.014552
"207329"	387.779342666667	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+3H"	3.021828
"646885"	581.165376	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+3H"	3.021828
"1163916"	194.393309333333	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+3H"	3.021828
"424878"	1178.350023	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+NH4"	18.033823
"785787"	1758.508123	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+NH4"	18.033823
"1681467"	598.191923	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+NH4"	18.033823
"331090"	589.6786495	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+H+NH4"	19.041099
"722944"	879.7576995	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+H+NH4"	19.041099
"1477170"	299.5995995	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H+NH4"	19.041099
"405021"	1183.305418	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+Na"	22.989218
"766745"	1763.463518	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+Na"	22.989218
"1613384"	603.147318	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Na"	22.989218
"329552"	592.156347	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+H+Na"	23.996494
"722340"	882.235397	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+H+Na"	23.996494
"1476238"	302.077297	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H+Na"	23.996494
"1068229"	201.720623333333	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2H+Na"	25.00377
"1270062"	613.191586	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+CH3OH+H"	33.033486
"386811"	1199.279358	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+K"	38.963158
"749994"	1779.437458	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+K"	38.963158
"1553507"	619.121258	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+K"	38.963158
"311410"	600.143317	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+H+K"	39.970434
"702010"	890.222367	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+H+K"	39.970434
"1451819"	310.064267	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H+K"	39.970434
"238233"	1202.350026	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+ACN+H"	42.033826
"1212035"	622.191926	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+ACN+H"	42.033826
"1197742"	311.599601	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+ACN+2H"	43.041102
"188785"	1205.28736	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+2Na-H"	44.97116
"630530"	1785.44546	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+2Na-H"	44.97116
"1131487"	625.12926	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2Na-H"	44.97116
"175149"	603.147318	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+2Na"	45.978436
"623459"	893.226368	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+2Na"	45.978436
"1122590"	313.068268	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2Na"	45.978436
"1410491"	209.047937333333	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H+2Na"	46.985712
"1443705"	627.170846	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H+HCOOH"	47.012746
"235601"	608.18034	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+3H2O+2H"	56.04448
"1520010"	641.22289	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+IsoProp+H"	61.06479
"416778"	611.134288	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+Na+K"	61.952376
"779961"	901.213338	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+Na+K"	61.952376
"1680300"	321.055238	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Na+K"	61.952376
"259529"	1224.331968	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+ACN+Na"	64.015768
"1233330"	644.173868	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+ACN+Na"	64.015768
"1724040"	644.197393	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+NH4+HCOOH"	64.039293
"1189395"	216.375251333333	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+3Na"	68.967654
"1657466"	649.152788	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Na+HCOOH"	68.994688
"167609"	1237.23524	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+2K-H"	76.91904
"604981"	1817.39334	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+2K-H"	76.91904
"1092773"	657.07714	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2K-H"	76.91904
"150685"	619.121258	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"2M+2K"	77.926316
"584778"	909.200308	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"3M+2K"	77.926316
"1072571"	329.042208	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2K"	77.926316
"1104690"	659.091692	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2K+H"	78.933592
"1345452"	659.179307	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+DMSO+H"	79.021207
"1015077"	663.218476	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2ACN+H"	83.060376
"1533201"	664.212108	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+IsoProp+Na+H"	84.054008
"1000741"	332.112876	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+2ACN+2H"	84.067652
"1598528"	665.126728	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+K+HCOOH"	84.968628
"1419812"	695.158238	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+H+CF3COOH"	115.000138
"1154475"	352.626151	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+3ACN+2H"	125.094202
"1701840"	712.184785	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+NH4+CF3COOH"	132.026685
"1646241"	717.14018	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+Na+CF3COOH"	136.98208
"1582984"	733.11412	"C17773"	"Gambiriin A2"	"C30H28O12"	"580.1581"	"M+K+CF3COOH"	152.95602
"805694"	580.1581	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M"	0
"983603"	561.13971	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-H2O-H"	-19.01839
"72938"	385.764790666667	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M-3H"	-3.021828
"508124"	579.150824	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M-3H"	-3.021828
"884829"	192.378757333333	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-3H"	-3.021828
"12161"	579.150824	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M-2H"	-2.014552
"453304"	869.229874	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M-2H"	-2.014552
"830985"	289.071774	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-2H"	-2.014552
"93777"	1159.308924	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M-H"	-1.007276
"533211"	1739.467024	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M-H"	-1.007276
"910898"	579.150824	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-H"	-1.007276
"60647"	1176.335471	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M-2H+NH4"	16.019271
"502407"	1756.493571	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M-2H+NH4"	16.019271
"879603"	596.177371	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-2H+NH4"	16.019271
"46408"	1181.290866	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M-2H+Na"	20.974666
"486896"	1761.448966	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M-2H+Na"	20.974666
"863156"	601.132766	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-2H+Na"	20.974666
"1630864"	601.132766	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Na-2H"	20.974666
"108855"	597.139163	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M-H+Cl"	33.962126
"546226"	887.218213	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M-H+Cl"	33.962126
"933180"	307.060113	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-H+Cl"	33.962126
"273924"	1195.285602	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+Cl"	34.969402
"663427"	1775.443702	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+Cl"	34.969402
"1277287"	615.127502	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Cl"	34.969402
"20208"	1197.264806	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M-2H+K"	36.948606
"459767"	1777.422906	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M-2H+K"	36.948606
"838664"	617.106706	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-2H+K"	36.948606
"1557778"	617.106706	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+K-2H"	36.948606
"945661"	625.156294	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-H+HCOOH"	44.998194
"363509"	1205.314401	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+HCOOH-H"	44.998201
"348852"	1219.330051	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+Hac-H"	59.013851
"1498778"	639.171951	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Hac-H"	59.013851
"963036"	647.138251	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-H+NaCOOH"	66.980151
"113404"	615.127502	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+2Cl"	69.938804
"555887"	905.206552	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+2Cl"	69.938804
"1025412"	325.048452	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2Cl"	69.938804
"1243536"	659.076985	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Br"	78.918885
"1312181"	661.132972	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Cl+HCOOH"	80.974872
"1325309"	683.114929	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Cl+NaCOOH"	102.956829
"913451"	693.143686	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M-H+CF3COOH"	112.985586
"1293076"	729.120364	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Cl+CF3COOH"	148.962264
"1368800"	545.145424	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H-2H2O"	-35.012676
"1385085"	563.1554	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H-H2O"	-17.0027
"283677"	1161.323476	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+H"	1.007276
"679748"	1741.481576	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+H"	1.007276
"1352452"	581.165376	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H"	1.007276
"128990"	581.165376	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+2H"	2.014552
"567820"	871.244426	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+2H"	2.014552
"1045005"	291.086326	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2H"	2.014552
"207438"	387.779342666667	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+3H"	3.021828
"646997"	581.165376	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+3H"	3.021828
"1165119"	194.393309333333	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+3H"	3.021828
"426568"	1178.350023	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+NH4"	18.033823
"786954"	1758.508123	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+NH4"	18.033823
"1683527"	598.191923	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+NH4"	18.033823
"331442"	589.6786495	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+H+NH4"	19.041099
"723376"	879.7576995	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+H+NH4"	19.041099
"1477599"	299.5995995	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H+NH4"	19.041099
"406592"	1183.305418	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+Na"	22.989218
"767949"	1763.463518	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+Na"	22.989218
"1612400"	603.147318	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Na"	22.989218
"328649"	592.156347	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+H+Na"	23.996494
"721313"	882.235397	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+H+Na"	23.996494
"1476107"	302.077297	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H+Na"	23.996494
"1067892"	201.720623333333	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2H+Na"	25.00377
"1270172"	613.191586	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+CH3OH+H"	33.033486
"387648"	1199.279358	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+K"	38.963158
"749739"	1779.437458	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+K"	38.963158
"1553496"	619.121258	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+K"	38.963158
"310791"	600.143317	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+H+K"	39.970434
"704309"	890.222367	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+H+K"	39.970434
"1453022"	310.064267	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H+K"	39.970434
"239436"	1202.350026	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+ACN+H"	42.033826
"1213602"	622.191926	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+ACN+H"	42.033826
"1198581"	311.599601	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+ACN+2H"	43.041102
"191814"	1205.28736	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+2Na-H"	44.97116
"630280"	1785.44546	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+2Na-H"	44.97116
"1133060"	625.12926	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2Na-H"	44.97116
"176352"	603.147318	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+2Na"	45.978436
"623568"	893.226368	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+2Na"	45.978436
"1123793"	313.068268	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2Na"	45.978436
"1410237"	209.047937333333	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H+2Na"	46.985712
"1443453"	627.170846	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H+HCOOH"	47.012746
"231693"	608.18034	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+3H2O+2H"	56.04448
"1523888"	641.22289	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+IsoProp+H"	61.06479
"419075"	611.134288	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+Na+K"	61.952376
"780802"	901.213338	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+Na+K"	61.952376
"1677859"	321.055238	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Na+K"	61.952376
"261462"	1224.331968	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+ACN+Na"	64.015768
"1237816"	644.173868	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+ACN+Na"	64.015768
"1724516"	644.197393	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+NH4+HCOOH"	64.039293
"1190237"	216.375251333333	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+3Na"	68.967654
"1660127"	649.152788	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Na+HCOOH"	68.994688
"165533"	1237.23524	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+2K-H"	76.91904
"608009"	1817.39334	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+2K-H"	76.91904
"1094707"	657.07714	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2K-H"	76.91904
"147880"	619.121258	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"2M+2K"	77.926316
"587439"	909.200308	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"3M+2K"	77.926316
"1072678"	329.042208	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2K"	77.926316
"1104800"	659.091692	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2K+H"	78.933592
"1344467"	659.179307	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+DMSO+H"	79.021207
"1011906"	663.218476	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2ACN+H"	83.060376
"1533311"	664.212108	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+IsoProp+Na+H"	84.054008
"997571"	332.112876	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+2ACN+2H"	84.067652
"1595358"	665.126728	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+K+HCOOH"	84.968628
"1417370"	695.158238	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+H+CF3COOH"	115.000138
"1149483"	352.626151	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+3ACN+2H"	125.094202
"1700857"	712.184785	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+NH4+CF3COOH"	132.026685
"1644164"	717.14018	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+Na+CF3COOH"	136.98208
"1583094"	733.11412	"C17774"	"Gambiriin A3"	"C30H28O12"	"580.1581"	"M+K+CF3COOH"	152.95602
"801916"	562.1475	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M"	0
"983713"	543.12911	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-H2O-H"	-19.01839
"73048"	373.757724	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M-3H"	-3.021828
"508234"	561.140224	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M-3H"	-3.021828
"881171"	186.375224	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-3H"	-3.021828
"12272"	561.140224	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M-2H"	-2.014552
"453172"	842.213974	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M-2H"	-2.014552
"831459"	280.066474	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-2H"	-2.014552
"94054"	1123.287724	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M-H"	-1.007276
"532592"	1685.435224	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M-H"	-1.007276
"911050"	561.140224	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-H"	-1.007276
"60269"	1140.314271	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M-2H+NH4"	16.019271
"502271"	1702.461771	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M-2H+NH4"	16.019271
"879795"	578.166771	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-2H+NH4"	16.019271
"47091"	1145.269666	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M-2H+Na"	20.974666
"486644"	1707.417166	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M-2H+Na"	20.974666
"862781"	583.122166	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-2H+Na"	20.974666
"1631339"	583.122166	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Na-2H"	20.974666
"108482"	579.128563	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M-H+Cl"	33.962126
"545972"	860.202313	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M-H+Cl"	33.962126
"935478"	298.054813	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-H+Cl"	33.962126
"271848"	1159.264402	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+Cl"	34.969402
"662441"	1721.411902	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+Cl"	34.969402
"1276666"	597.116902	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Cl"	34.969402
"19953"	1161.243606	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M-2H+K"	36.948606
"459146"	1723.391106	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M-2H+K"	36.948606
"835129"	599.096106	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-2H+K"	36.948606
"1557890"	599.096106	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+K-2H"	36.948606
"943947"	607.145694	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-H+HCOOH"	44.998194
"362893"	1169.293201	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+HCOOH-H"	44.998201
"347504"	1183.308851	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+Hac-H"	59.013851
"1495608"	621.161351	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Hac-H"	59.013851
"963148"	629.127651	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-H+NaCOOH"	66.980151
"113148"	597.116902	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+2Cl"	69.938804
"550893"	878.190652	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+2Cl"	69.938804
"1025521"	316.043152	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2Cl"	69.938804
"1243281"	641.066385	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Br"	78.918885
"1307915"	643.122372	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Cl+HCOOH"	80.974872
"1321773"	665.104329	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Cl+NaCOOH"	102.956829
"913196"	675.133086	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M-H+CF3COOH"	112.985586
"1292091"	711.109764	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Cl+CF3COOH"	148.962264
"1369154"	527.134824	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H-2H2O"	-35.012676
"1385193"	545.1448	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H-H2O"	-17.0027
"284636"	1125.302276	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+H"	1.007276
"678035"	1687.449776	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+H"	1.007276
"1352440"	563.154776	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H"	1.007276
"129099"	563.154776	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+2H"	2.014552
"567559"	844.228526	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+2H"	2.014552
"1038182"	282.081026	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2H"	2.014552
"208639"	375.772276	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+3H"	3.021828
"648928"	563.154776	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+3H"	3.021828
"1163648"	188.389776	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+3H"	3.021828
"425339"	1142.328823	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+NH4"	18.033823
"786821"	1704.476323	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+NH4"	18.033823
"1682177"	580.181323	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+NH4"	18.033823
"330573"	571.6680495	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+H+NH4"	19.041099
"723118"	852.7417995	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+H+NH4"	19.041099
"1477302"	290.5942995	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H+NH4"	19.041099
"405601"	1147.284218	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+Na"	22.989218
"764409"	1709.431718	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+Na"	22.989218
"1609230"	585.136718	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Na"	22.989218
"326937"	574.145747	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+H+Na"	23.996494
"719358"	855.219497	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+H+Na"	23.996494
"1476095"	293.071997	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H+Na"	23.996494
"1068247"	195.71709	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2H+Na"	25.00377
"1271740"	595.180986	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+CH3OH+H"	33.033486
"386666"	1163.258158	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+K"	38.963158
"749849"	1725.405658	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+K"	38.963158
"1553606"	601.110658	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+K"	38.963158
"310537"	582.132717	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+H+K"	39.970434
"705147"	863.206467	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+H+K"	39.970434
"1454225"	301.058967	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H+K"	39.970434
"238817"	1166.328826	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+ACN+H"	42.033826
"1211647"	604.181326	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+ACN+H"	42.033826
"1197962"	302.594301	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+ACN+2H"	43.041102
"192289"	1169.26616	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+2Na-H"	44.97116
"631846"	1731.41366	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+2Na-H"	44.97116
"1133170"	607.11866	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2Na-H"	44.97116
"175732"	585.136718	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+2Na"	45.978436
"623678"	866.210468	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+2Na"	45.978436
"1123903"	304.062968	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2Na"	45.978436
"1410347"	203.044404	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H+2Na"	46.985712
"1444293"	609.160246	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H+HCOOH"	47.012746
"234355"	590.16974	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+3H2O+2H"	56.04448
"1523394"	623.21229	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+IsoProp+H"	61.06479
"419917"	593.123688	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+Na+K"	61.952376
"782005"	874.197438	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+Na+K"	61.952376
"1674322"	312.049938	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Na+K"	61.952376
"261938"	1188.310768	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+ACN+Na"	64.015768
"1240115"	626.163268	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+ACN+Na"	64.015768
"1723168"	626.186793	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+NH4+HCOOH"	64.039293
"1190346"	210.371718	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+3Na"	68.967654
"1660237"	631.142188	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Na+HCOOH"	68.994688
"165642"	1201.21404	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+2K-H"	76.91904
"608119"	1763.36154	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+2K-H"	76.91904
"1094817"	639.06654	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2K-H"	76.91904
"149083"	601.110658	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"2M+2K"	77.926316
"586820"	882.184408	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"3M+2K"	77.926316
"1072788"	320.036908	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2K"	77.926316
"1104910"	641.081092	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2K+H"	78.933592
"1344577"	641.168707	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+DMSO+H"	79.021207
"1012016"	645.207876	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2ACN+H"	83.060376
"1533421"	646.201508	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+IsoProp+Na+H"	84.054008
"997681"	323.107576	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+2ACN+2H"	84.067652
"1595468"	647.116128	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+K+HCOOH"	84.968628
"1417480"	677.147638	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+H+CF3COOH"	115.000138
"1150322"	343.620851	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+3ACN+2H"	125.094202
"1702060"	694.174185	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+NH4+CF3COOH"	132.026685
"1642087"	699.12958	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+Na+CF3COOH"	136.98208
"1583204"	715.10352	"C17775"	"Gambiriin B1"	"C30H26O11"	"562.1475"	"M+K+CF3COOH"	152.95602
"802146"	562.1475	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M"	0
"983823"	543.12911	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-H2O-H"	-19.01839
"75345"	373.757724	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M-3H"	-3.021828
"510531"	561.140224	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M-3H"	-3.021828
"883226"	186.375224	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-3H"	-3.021828
"12379"	561.140224	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M-2H"	-2.014552
"453037"	842.213974	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M-2H"	-2.014552
"831989"	280.066474	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-2H"	-2.014552
"94164"	1123.287724	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M-H"	-1.007276
"533306"	1685.435224	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M-H"	-1.007276
"910519"	561.140224	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-H"	-1.007276
"61352"	1140.314271	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M-2H+NH4"	16.019271
"502145"	1702.461771	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M-2H+NH4"	16.019271
"878127"	578.166771	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-2H+NH4"	16.019271
"46025"	1145.269666	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M-2H+Na"	20.974666
"486559"	1707.417166	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M-2H+Na"	20.974666
"863499"	583.122166	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-2H+Na"	20.974666
"1632178"	583.122166	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Na-2H"	20.974666
"109727"	579.128563	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M-H+Cl"	33.962126
"546446"	860.202313	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M-H+Cl"	33.962126
"939962"	298.054813	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-H+Cl"	33.962126
"274145"	1159.264402	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+Cl"	34.969402
"661581"	1721.411902	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+Cl"	34.969402
"1276414"	597.116902	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Cl"	34.969402
"19700"	1161.243606	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M-2H+K"	36.948606
"462177"	1723.391106	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M-2H+K"	36.948606
"836698"	599.096106	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-2H+K"	36.948606
"1559093"	599.096106	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+K-2H"	36.948606
"945882"	607.145694	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-H+HCOOH"	44.998194
"364824"	1169.293201	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+HCOOH-H"	44.998201
"351258"	1183.308851	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+Hac-H"	59.013851
"1497904"	621.161351	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Hac-H"	59.013851
"965445"	629.127651	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-H+NaCOOH"	66.980151
"115447"	597.116902	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+2Cl"	69.938804
"555011"	878.190652	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+2Cl"	69.938804
"1025996"	316.043152	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2Cl"	69.938804
"1244485"	641.066385	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Br"	78.918885
"1311306"	643.122372	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Cl+HCOOH"	80.974872
"1327717"	665.104329	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Cl+NaCOOH"	102.956829
"912937"	675.133086	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M-H+CF3COOH"	112.985586
"1289645"	711.109764	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Cl+CF3COOH"	148.962264
"1368291"	527.134824	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H-2H2O"	-35.012676
"1383197"	545.1448	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H-H2O"	-17.0027
"283897"	1125.302276	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+H"	1.007276
"676318"	1687.449776	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+H"	1.007276
"1353035"	563.154776	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H"	1.007276
"128117"	563.154776	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+2H"	2.014552
"567307"	844.228526	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+2H"	2.014552
"1039752"	282.081026	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2H"	2.014552
"206560"	375.772276	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+3H"	3.021828
"648309"	563.154776	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+3H"	3.021828
"1164245"	188.389776	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+3H"	3.021828
"425693"	1142.328823	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+NH4"	18.033823
"786688"	1704.476323	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+NH4"	18.033823
"1684479"	580.181323	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+NH4"	18.033823
"332757"	571.6680495	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+H+NH4"	19.041099
"727000"	852.7417995	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+H+NH4"	19.041099
"1478146"	290.5942995	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H+NH4"	19.041099
"400239"	1147.284218	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+Na"	22.989218
"760142"	1709.431718	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+Na"	22.989218
"1614807"	585.136718	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Na"	22.989218
"328628"	574.145747	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+H+Na"	23.996494
"721535"	855.219497	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+H+Na"	23.996494
"1476608"	293.071997	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H+Na"	23.996494
"1068071"	195.71709	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2H+Na"	25.00377
"1268565"	595.180986	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+CH3OH+H"	33.033486
"390421"	1163.258158	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+K"	38.963158
"754024"	1725.405658	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+K"	38.963158
"1555053"	601.110658	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+K"	38.963158
"311374"	582.132717	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+H+K"	39.970434
"703433"	863.206467	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+H+K"	39.970434
"1449961"	301.058967	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H+K"	39.970434
"238928"	1166.328826	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+ACN+H"	42.033826
"1211757"	604.181326	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+ACN+H"	42.033826
"1196610"	302.594301	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+ACN+2H"	43.041102
"192032"	1169.26616	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+2Na-H"	44.97116
"632321"	1731.41366	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+2Na-H"	44.97116
"1137652"	607.11866	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2Na-H"	44.97116
"180947"	585.136718	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+2Na"	45.978436
"625613"	866.210468	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+2Na"	45.978436
"1127295"	304.062968	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2Na"	45.978436
"1411555"	203.044404	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H+2Na"	46.985712
"1442580"	609.160246	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H+HCOOH"	47.012746
"234836"	590.16974	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+3H2O+2H"	56.04448
"1521804"	623.21229	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+IsoProp+H"	61.06479
"422948"	593.123688	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+Na+K"	61.952376
"784670"	874.197438	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+Na+K"	61.952376
"1679179"	312.049938	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Na+K"	61.952376
"265942"	1188.310768	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+ACN+Na"	64.015768
"1240714"	626.163268	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+ACN+Na"	64.015768
"1727048"	626.186793	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+NH4+HCOOH"	64.039293
"1193009"	210.371718	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+3Na"	68.967654
"1663268"	631.142188	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Na+HCOOH"	68.994688
"167575"	1201.21404	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+2K-H"	76.91904
"610416"	1763.36154	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+2K-H"	76.91904
"1098208"	639.06654	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2K-H"	76.91904
"151015"	601.110658	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"2M+2K"	77.926316
"587292"	882.184408	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"3M+2K"	77.926316
"1076178"	320.036908	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2K"	77.926316
"1107936"	641.081092	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2K+H"	78.933592
"1341407"	641.168707	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+DMSO+H"	79.021207
"1018567"	645.207876	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2ACN+H"	83.060376
"1534625"	646.201508	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+IsoProp+Na+H"	84.054008
"997793"	323.107576	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+2ACN+2H"	84.067652
"1595577"	647.116128	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+K+HCOOH"	84.968628
"1421238"	677.147638	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+H+CF3COOH"	115.000138
"1153713"	343.620851	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+3ACN+2H"	125.094202
"1701077"	694.174185	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+NH4+CF3COOH"	132.026685
"1642197"	699.12958	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+Na+CF3COOH"	136.98208
"1583314"	715.10352	"C17776"	"Gambiriin B2"	"C30H26O11"	"562.1475"	"M+K+CF3COOH"	152.95602
"802015"	562.1475	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M"	0
"983933"	543.12911	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-H2O-H"	-19.01839
"76548"	373.757724	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M-3H"	-3.021828
"510641"	561.140224	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M-3H"	-3.021828
"880663"	186.375224	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-3H"	-3.021828
"9209"	561.140224	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M-2H"	-2.014552
"446582"	842.213974	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M-2H"	-2.014552
"830948"	280.066474	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-2H"	-2.014552
"89845"	1123.287724	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M-H"	-1.007276
"529405"	1685.435224	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M-H"	-1.007276
"910815"	561.140224	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-H"	-1.007276
"61583"	1140.314271	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M-2H+NH4"	16.019271
"502772"	1702.461771	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M-2H+NH4"	16.019271
"878966"	578.166771	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-2H+NH4"	16.019271
"46707"	1145.269666	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M-2H+Na"	20.974666
"486951"	1707.417166	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M-2H+Na"	20.974666
"863243"	583.122166	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-2H+Na"	20.974666
"1631194"	583.122166	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Na-2H"	20.974666
"109510"	579.128563	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M-H+Cl"	33.962126
"548380"	860.202313	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M-H+Cl"	33.962126
"936791"	298.054813	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-H+Cl"	33.962126
"270974"	1159.264402	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+Cl"	34.969402
"660960"	1721.411902	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+Cl"	34.969402
"1273974"	597.116902	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Cl"	34.969402
"18353"	1161.243606	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M-2H+K"	36.948606
"458639"	1723.391106	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M-2H+K"	36.948606
"836808"	599.096106	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-2H+K"	36.948606
"1560296"	599.096106	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+K-2H"	36.948606
"943806"	607.145694	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-H+HCOOH"	44.998194
"363476"	1169.293201	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+HCOOH-H"	44.998201
"349546"	1183.308851	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+Hac-H"	59.013851
"1499107"	621.161351	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Hac-H"	59.013851
"965555"	629.127651	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-H+NaCOOH"	66.980151
"112278"	597.116902	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+2Cl"	69.938804
"553299"	878.190652	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+2Cl"	69.938804
"1025377"	316.043152	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2Cl"	69.938804
"1243502"	641.066385	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Br"	78.918885
"1309230"	643.122372	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Cl+HCOOH"	80.974872
"1327827"	665.104329	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Cl+NaCOOH"	102.956829
"912683"	675.133086	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M-H+CF3COOH"	112.985586
"1289391"	711.109764	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Cl+CF3COOH"	148.962264
"1367917"	527.134824	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H-2H2O"	-35.012676
"1384320"	545.1448	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H-H2O"	-17.0027
"283642"	1125.302276	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+H"	1.007276
"677888"	1687.449776	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+H"	1.007276
"1352053"	563.154776	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H"	1.007276
"128591"	563.154776	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+2H"	2.014552
"567417"	844.228526	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+2H"	2.014552
"1038766"	282.081026	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2H"	2.014552
"207399"	375.772276	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+3H"	3.021828
"649512"	563.154776	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+3H"	3.021828
"1165083"	188.389776	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+3H"	3.021828
"427260"	1142.328823	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+NH4"	18.033823
"786798"	1704.476323	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+NH4"	18.033823
"1684223"	580.181323	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+NH4"	18.033823
"332868"	571.6680495	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+H+NH4"	19.041099
"723830"	852.7417995	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+H+NH4"	19.041099
"1477316"	290.5942995	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H+NH4"	19.041099
"400349"	1147.284218	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+Na"	22.989218
"760252"	1709.431718	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+Na"	22.989218
"1614917"	585.136718	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Na"	22.989218
"329669"	574.145747	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+H+Na"	23.996494
"722497"	855.219497	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+H+Na"	23.996494
"1476552"	293.071997	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H+Na"	23.996494
"1068422"	195.71709	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2H+Na"	25.00377
"1267946"	595.180986	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+CH3OH+H"	33.033486
"390895"	1163.258158	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+K"	38.963158
"754206"	1725.405658	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+K"	38.963158
"1555409"	601.110658	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+K"	38.963158
"311484"	582.132717	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+H+K"	39.970434
"703907"	863.206467	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+H+K"	39.970434
"1451164"	301.058967	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H+K"	39.970434
"238674"	1166.328826	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+ACN+H"	42.033826
"1211746"	604.181326	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+ACN+H"	42.033826
"1196356"	302.594301	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+ACN+2H"	43.041102
"191779"	1169.26616	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+2Na-H"	44.97116
"634256"	1731.41366	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+2Na-H"	44.97116
"1137031"	607.11866	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2Na-H"	44.97116
"179964"	585.136718	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+2Na"	45.978436
"625723"	866.210468	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+2Na"	45.978436
"1128498"	304.062968	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2Na"	45.978436
"1411298"	203.044404	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H+2Na"	46.985712
"1442326"	609.160246	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H+HCOOH"	47.012746
"234216"	590.16974	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+3H2O+2H"	56.04448
"1521913"	623.21229	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+IsoProp+H"	61.06479
"421963"	593.123688	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+Na+K"	61.952376
"783324"	874.197438	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+Na+K"	61.952376
"1677831"	312.049938	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Na+K"	61.952376
"264712"	1188.310768	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+ACN+Na"	64.015768
"1239604"	626.163268	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+ACN+Na"	64.015768
"1727033"	626.186793	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+NH4+HCOOH"	64.039293
"1191661"	210.371718	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+3Na"	68.967654
"1663373"	631.142188	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Na+HCOOH"	68.994688
"171693"	1201.21404	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+2K-H"	76.91904
"607608"	1763.36154	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+2K-H"	76.91904
"1097223"	639.06654	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2K-H"	76.91904
"153310"	601.110658	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"2M+2K"	77.926316
"593599"	882.184408	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"3M+2K"	77.926316
"1073008"	320.036908	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2K"	77.926316
"1108410"	641.081092	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2K+H"	78.933592
"1342610"	641.168707	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+DMSO+H"	79.021207
"1018798"	645.207876	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2ACN+H"	83.060376
"1534735"	646.201508	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+IsoProp+Na+H"	84.054008
"998996"	323.107576	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+2ACN+2H"	84.067652
"1595687"	647.116128	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+K+HCOOH"	84.968628
"1422440"	677.147638	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+H+CF3COOH"	115.000138
"1156009"	343.620851	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+3ACN+2H"	125.094202
"1701187"	694.174185	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+NH4+CF3COOH"	132.026685
"1642307"	699.12958	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+Na+CF3COOH"	136.98208
"1583424"	715.10352	"C17777"	"Gambiriin B3"	"C30H26O11"	"562.1475"	"M+K+CF3COOH"	152.95602
"802854"	418.1264	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M"	0
"984043"	399.10801	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-H2O-H"	-19.01839
"75565"	277.743657333333	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M-3H"	-3.021828
"510751"	417.119124	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M-3H"	-3.021828
"880897"	138.368190666667	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-3H"	-3.021828
"13692"	417.119124	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M-2H"	-2.014552
"448878"	626.182324	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M-2H"	-2.014552
"828871"	208.055924	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-2H"	-2.014552
"89955"	835.245524	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M-H"	-1.007276
"530608"	1253.371924	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M-H"	-1.007276
"909873"	417.119124	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-H"	-1.007276
"61329"	852.272071	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M-2H+NH4"	16.019271
"502650"	1270.398471	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M-2H+NH4"	16.019271
"878709"	434.145671	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-2H+NH4"	16.019271
"46244"	857.227466	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M-2H+Na"	20.974666
"487052"	1275.353866	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M-2H+Na"	20.974666
"862381"	439.101066	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-2H+Na"	20.974666
"1630941"	439.101066	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Na-2H"	20.974666
"109782"	435.107463	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M-H+Cl"	33.962126
"546666"	644.170663	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M-H+Cl"	33.962126
"939087"	226.044263	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-H+Cl"	33.962126
"274364"	871.222202	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+Cl"	34.969402
"661680"	1289.348602	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+Cl"	34.969402
"1274816"	453.095802	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Cl"	34.969402
"17369"	873.201406	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M-2H+K"	36.948606
"459118"	1291.327806	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M-2H+K"	36.948606
"838012"	455.075006	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-2H+K"	36.948606
"1555825"	455.075006	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+K-2H"	36.948606
"945009"	463.124594	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-H+HCOOH"	44.998194
"361681"	881.251001	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+HCOOH-H"	44.998201
"346538"	895.266651	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+Hac-H"	59.013851
"1493749"	477.140251	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Hac-H"	59.013851
"962385"	485.106551	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-H+NaCOOH"	66.980151
"114573"	453.095802	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+2Cl"	69.938804
"553045"	662.159002	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+2Cl"	69.938804
"1025123"	244.032602	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2Cl"	69.938804
"1243613"	497.045285	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Br"	78.918885
"1310435"	499.101272	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Cl+HCOOH"	80.974872
"1329030"	521.083229	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Cl+NaCOOH"	102.956829
"913160"	531.111986	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M-H+CF3COOH"	112.985586
"1289139"	567.088664	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Cl+CF3COOH"	148.962264
"1367539"	383.113724	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H-2H2O"	-35.012676
"1384429"	401.1237	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H-H2O"	-17.0027
"283385"	837.260076	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+H"	1.007276
"676295"	1255.386476	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+H"	1.007276
"1352163"	419.133676	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H"	1.007276
"130523"	419.133676	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+2H"	2.014552
"567527"	628.196876	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+2H"	2.014552
"1038754"	210.070476	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2H"	2.014552
"207144"	279.758209333333	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+3H"	3.021828
"647070"	419.133676	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+3H"	3.021828
"1165193"	140.382742666667	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+3H"	3.021828
"426277"	854.286623	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+NH4"	18.033823
"786784"	1272.413023	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+NH4"	18.033823
"1684699"	436.160223	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+NH4"	18.033823
"332613"	427.6469495	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+H+NH4"	19.041099
"725397"	636.7101495	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+H+NH4"	19.041099
"1477172"	218.5837495	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H+NH4"	19.041099
"399366"	859.242018	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+Na"	22.989218
"760362"	1277.368418	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+Na"	22.989218
"1615027"	441.115618	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Na"	22.989218
"329777"	430.124647	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+H+Na"	23.996494
"722563"	639.187847	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+H+Na"	23.996494
"1476176"	221.061447	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H+Na"	23.996494
"1068124"	147.710056666667	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2H+Na"	25.00377
"1266963"	451.159886	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+CH3OH+H"	33.033486
"390641"	875.215958	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+K"	38.963158
"754142"	1293.342358	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+K"	38.963158
"1555476"	457.089558	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+K"	38.963158
"310501"	438.111617	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+H+K"	39.970434
"704017"	647.174817	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+H+K"	39.970434
"1449088"	229.048417	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H+K"	39.970434
"239877"	878.286626	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+ACN+H"	42.033826
"1213678"	460.160226	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+ACN+H"	42.033826
"1196830"	230.583751	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+ACN+2H"	43.041102
"191160"	881.22396	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+2Na-H"	44.97116
"633637"	1299.35036	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+2Na-H"	44.97116
"1136777"	463.09756	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2Na-H"	44.97116
"177877"	441.115618	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+2Na"	45.978436
"621822"	650.178818	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+2Na"	45.978436
"1125329"	232.052418	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2Na"	45.978436
"1410680"	155.037370666667	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H+2Na"	46.985712
"1442071"	465.139146	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H+HCOOH"	47.012746
"233593"	446.14864	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+3H2O+2H"	56.04448
"1523115"	479.19119	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+IsoProp+H"	61.06479
"422439"	449.102588	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+Na+K"	61.952376
"784525"	658.165788	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+Na+K"	61.952376
"1679034"	240.039388	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Na+K"	61.952376
"264093"	900.268568	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+ACN+Na"	64.015768
"1238620"	482.142168	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+ACN+Na"	64.015768
"1727752"	482.165693	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+NH4+HCOOH"	64.039293
"1192864"	162.364684666667	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+3Na"	68.967654
"1663119"	487.121088	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Na+HCOOH"	68.994688
"171441"	913.17184	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+2K-H"	76.91904
"609540"	1331.29824	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+2K-H"	76.91904
"1096971"	495.04544	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2K-H"	76.91904
"153421"	457.089558	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"2M+2K"	77.926316
"592981"	666.152758	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"3M+2K"	77.926316
"1074211"	248.026358	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2K"	77.926316
"1109613"	497.059992	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2K+H"	78.933592
"1342720"	497.147607	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+DMSO+H"	79.021207
"1018908"	501.186776	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2ACN+H"	83.060376
"1537031"	502.180408	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+IsoProp+Na+H"	84.054008
"1001292"	251.097026	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+2ACN+2H"	84.067652
"1596890"	503.095028	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+K+HCOOH"	84.968628
"1422550"	533.126538	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+H+CF3COOH"	115.000138
"1157212"	271.610301	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+3ACN+2H"	125.094202
"1701297"	550.153085	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+NH4+CF3COOH"	132.026685
"1635123"	555.10848	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+Na+CF3COOH"	136.98208
"1583534"	571.08242	"C17778"	"Isobarbaloin;Aloin B"	"C21H22O9"	"418.1264"	"M+K+CF3COOH"	152.95602
"805151"	564.1843	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M"	0
"987433"	545.16591	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-H2O-H"	-19.01839
"76768"	375.115590666667	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M-3H"	-3.021828
"510862"	563.177024	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M-3H"	-3.021828
"883195"	187.054157333333	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-3H"	-3.021828
"2863"	563.177024	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M-2H"	-2.014552
"444612"	845.269174	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M-2H"	-2.014552
"830927"	281.084874	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-2H"	-2.014552
"90065"	1127.361324	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M-H"	-1.007276
"531814"	1691.545624	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M-H"	-1.007276
"909497"	563.177024	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-H"	-1.007276
"61443"	1144.387871	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M-2H+NH4"	16.019271
"502467"	1708.572171	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M-2H+NH4"	16.019271
"878453"	580.203571	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-2H+NH4"	16.019271
"45990"	1149.343266	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M-2H+Na"	20.974666
"486640"	1713.527566	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M-2H+Na"	20.974666
"863994"	585.158966	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-2H+Na"	20.974666
"1633694"	585.158966	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Na-2H"	20.974666
"109408"	581.165363	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M-H+Cl"	33.962126
"546777"	863.257513	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M-H+Cl"	33.962126
"938105"	299.073213	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-H+Cl"	33.962126
"277754"	1163.338002	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+Cl"	34.969402
"661425"	1727.522302	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+Cl"	34.969402
"1273588"	599.153702	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Cl"	34.969402
"15954"	1165.317206	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M-2H+K"	36.948606
"456554"	1729.501506	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M-2H+K"	36.948606
"835936"	601.132906	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-2H+K"	36.948606
"1560516"	601.132906	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+K-2H"	36.948606
"945120"	609.182494	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-H+HCOOH"	44.998194
"364428"	1173.366801	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+HCOOH-H"	44.998201
"346851"	1187.382451	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+Hac-H"	59.013851
"1494224"	623.198151	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Hac-H"	59.013851
"969056"	631.164451	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-H+NaCOOH"	66.980151
"116870"	599.153702	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+2Cl"	69.938804
"553154"	881.245852	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+2Cl"	69.938804
"1026326"	317.061552	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2Cl"	69.938804
"1245909"	643.103185	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Br"	78.918885
"1307261"	645.159172	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Cl+HCOOH"	80.974872
"1322578"	667.141129	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Cl+NaCOOH"	102.956829
"919103"	677.169886	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M-H+CF3COOH"	112.985586
"1291072"	713.146564	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Cl+CF3COOH"	148.962264
"1367214"	529.171624	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H-2H2O"	-35.012676
"1383445"	547.1816	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H-H2O"	-17.0027
"284954"	1129.375876	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+H"	1.007276
"677383"	1693.560176	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+H"	1.007276
"1353366"	565.191576	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H"	1.007276
"127708"	565.191576	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+2H"	2.014552
"569824"	847.283726	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+2H"	2.014552
"1039107"	283.099426	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2H"	2.014552
"207617"	377.130142666667	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+3H"	3.021828
"647544"	565.191576	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+3H"	3.021828
"1166032"	189.068709333333	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+3H"	3.021828
"427117"	1146.402423	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+NH4"	18.033823
"789571"	1710.586723	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+NH4"	18.033823
"1684444"	582.218123	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+NH4"	18.033823
"333453"	573.7048495	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+H+NH4"	19.041099
"727331"	855.7969995	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+H+NH4"	19.041099
"1480787"	291.6126995	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H+NH4"	19.041099
"399476"	1151.357818	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+Na"	22.989218
"760472"	1715.542118	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+Na"	22.989218
"1608576"	587.173518	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Na"	22.989218
"329319"	576.182547	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+H+Na"	23.996494
"722469"	858.274697	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+H+Na"	23.996494
"1473979"	294.090397	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H+Na"	23.996494
"1063208"	196.396023333333	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2H+Na"	25.00377
"1267073"	597.217786	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+CH3OH+H"	33.033486
"390751"	1167.331758	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+K"	38.963158
"753090"	1731.516058	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+K"	38.963158
"1551249"	603.147458	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+K"	38.963158
"307331"	584.169517	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+H+K"	39.970434
"696472"	866.261667	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+H+K"	39.970434
"1448105"	302.077367	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H+K"	39.970434
"237799"	1170.402426	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+ACN+H"	42.033826
"1212693"	606.218126	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+ACN+H"	42.033826
"1197671"	303.612701	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+ACN+2H"	43.041102
"192727"	1173.33976	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+2Na-H"	44.97116
"635569"	1737.52406	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+2Na-H"	44.97116
"1139804"	609.15546	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2Na-H"	44.97116
"178352"	587.173518	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+2Na"	45.978436
"620839"	869.265668	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+2Na"	45.978436
"1125439"	305.081368	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2Na"	45.978436
"1408966"	203.723337333333	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H+2Na"	46.985712
"1442546"	611.197046	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H+HCOOH"	47.012746
"233337"	592.20654	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+3H2O+2H"	56.04448
"1522132"	625.24909	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+IsoProp+H"	61.06479
"418898"	595.160488	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+Na+K"	61.952376
"782082"	877.252638	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+Na+K"	61.952376
"1674762"	313.068338	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Na+K"	61.952376
"261282"	1192.384368	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+ACN+Na"	64.015768
"1237637"	628.200068	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+ACN+Na"	64.015768
"1727862"	628.223593	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+NH4+HCOOH"	64.039293
"1189326"	211.050651333333	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+3Na"	68.967654
"1661406"	633.178988	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Na+HCOOH"	68.994688
"164987"	1205.28764	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+2K-H"	76.91904
"605641"	1769.47194	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+2K-H"	76.91904
"1092341"	641.10334	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2K-H"	76.91904
"152436"	603.147458	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"2M+2K"	77.926316
"590901"	885.239608	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"3M+2K"	77.926316
"1074320"	321.055308	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2K"	77.926316
"1109723"	643.117892	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2K+H"	78.933592
"1345016"	643.205507	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+DMSO+H"	79.021207
"1019018"	647.244676	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2ACN+H"	83.060376
"1538234"	648.238308	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+IsoProp+Na+H"	84.054008
"1002497"	324.125976	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+2ACN+2H"	84.067652
"1599188"	649.152928	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+K+HCOOH"	84.968628
"1422661"	679.184438	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+H+CF3COOH"	115.000138
"1157322"	344.639251	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+3ACN+2H"	125.094202
"1701407"	696.210985	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+NH4+CF3COOH"	132.026685
"1638149"	701.16638	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+Na+CF3COOH"	136.98208
"1571979"	717.14032	"C17779"	"Aloinoside A"	"C27H32O13"	"564.1843"	"M+K+CF3COOH"	152.95602
"807450"	564.1843	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M"	0
"984263"	545.16591	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-H2O-H"	-19.01839
"73598"	375.115590666667	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M-3H"	-3.021828
"517169"	563.177024	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M-3H"	-3.021828
"883307"	187.054157333333	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-3H"	-3.021828
"1879"	563.177024	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M-2H"	-2.014552
"444722"	845.269174	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M-2H"	-2.014552
"827999"	281.084874	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-2H"	-2.014552
"91269"	1127.361324	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M-H"	-1.007276
"530831"	1691.545624	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M-H"	-1.007276
"909485"	563.177024	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-H"	-1.007276
"61796"	1144.387871	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M-2H+NH4"	16.019271
"501847"	1708.572171	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M-2H+NH4"	16.019271
"877465"	580.203571	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-2H+NH4"	16.019271
"44637"	1149.343266	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M-2H+Na"	20.974666
"485653"	1713.527566	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M-2H+Na"	20.974666
"861996"	585.158966	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-2H+Na"	20.974666
"1630803"	585.158966	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Na-2H"	20.974666
"104050"	581.165363	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M-H+Cl"	33.962126
"548343"	863.257513	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M-H+Cl"	33.962126
"937120"	299.073213	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-H+Cl"	33.962126
"271304"	1163.338002	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+Cl"	34.969402
"659989"	1727.522302	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+Cl"	34.969402
"1278318"	599.153702	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Cl"	34.969402
"16255"	1165.317206	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M-2H+K"	36.948606
"456666"	1729.501506	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M-2H+K"	36.948606
"834953"	601.132906	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-2H+K"	36.948606
"1558441"	601.132906	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+K-2H"	36.948606
"943116"	609.182494	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-H+HCOOH"	44.998194
"364538"	1173.366801	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+HCOOH-H"	44.998201
"346469"	1187.382451	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+Hac-H"	59.013851
"1493277"	623.198151	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Hac-H"	59.013851
"958839"	631.164451	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-H+NaCOOH"	66.980151
"115887"	599.153702	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+2Cl"	69.938804
"550072"	881.245852	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+2Cl"	69.938804
"1021816"	317.061552	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2Cl"	69.938804
"1241759"	643.103185	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Br"	78.918885
"1304576"	645.159172	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Cl+HCOOH"	80.974872
"1323783"	667.141129	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Cl+NaCOOH"	102.956829
"918121"	677.169886	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M-H+CF3COOH"	112.985586
"1288500"	713.146564	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Cl+CF3COOH"	148.962264
"1367273"	529.171624	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H-2H2O"	-35.012676
"1383559"	547.1816	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H-H2O"	-17.0027
"282952"	1129.375876	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+H"	1.007276
"677128"	1693.560176	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+H"	1.007276
"1354572"	565.191576	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H"	1.007276
"126727"	565.191576	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+2H"	2.014552
"566287"	847.283726	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+2H"	2.014552
"1039093"	283.099426	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2H"	2.014552
"205906"	377.130142666667	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+3H"	3.021828
"646926"	565.191576	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+3H"	3.021828
"1164808"	189.068709333333	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+3H"	3.021828
"425284"	1146.402423	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+NH4"	18.033823
"787128"	1710.586723	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+NH4"	18.033823
"1681429"	582.218123	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+NH4"	18.033823
"334655"	573.7048495	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+H+NH4"	19.041099
"725983"	855.7969995	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+H+NH4"	19.041099
"1484178"	291.6126995	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H+NH4"	19.041099
"399586"	1151.357818	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+Na"	22.989218
"760582"	1715.542118	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+Na"	22.989218
"1608686"	587.173518	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Na"	22.989218
"328093"	576.182547	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+H+Na"	23.996494
"721000"	858.274697	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+H+Na"	23.996494
"1474818"	294.090397	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H+Na"	23.996494
"1063318"	196.396023333333	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2H+Na"	25.00377
"1268276"	597.217786	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+CH3OH+H"	33.033486
"391226"	1167.331758	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+K"	38.963158
"752836"	1731.516058	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+K"	38.963158
"1551359"	603.147458	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+K"	38.963158
"307441"	584.169517	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+H+K"	39.970434
"696582"	866.261667	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+H+K"	39.970434
"1448215"	302.077367	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H+K"	39.970434
"239366"	1170.402426	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+ACN+H"	42.033826
"1214990"	606.218126	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+ACN+H"	42.033826
"1202153"	303.612701	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+ACN+2H"	43.041102
"195025"	1173.33976	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+2Na-H"	44.97116
"636772"	1737.52406	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+2Na-H"	44.97116
"1139914"	609.15546	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2Na-H"	44.97116
"179194"	587.173518	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+2Na"	45.978436
"617667"	869.265668	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+2Na"	45.978436
"1122266"	305.081368	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2Na"	45.978436
"1401777"	203.723337333333	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H+2Na"	46.985712
"1443381"	611.197046	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H+HCOOH"	47.012746
"229801"	592.20654	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+3H2O+2H"	56.04448
"1520051"	625.24909	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+IsoProp+H"	61.06479
"420468"	595.160488	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+Na+K"	61.952376
"781825"	877.252638	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+Na+K"	61.952376
"1672687"	313.068338	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Na+K"	61.952376
"260299"	1192.384368	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+ACN+Na"	64.015768
"1235559"	628.200068	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+ACN+Na"	64.015768
"1722623"	628.223593	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+NH4+HCOOH"	64.039293
"1187251"	211.050651333333	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+3Na"	68.967654
"1658236"	633.178988	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Na+HCOOH"	68.994688
"165096"	1205.28764	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+2K-H"	76.91904
"606845"	1769.47194	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+2K-H"	76.91904
"1090265"	641.10334	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2K-H"	76.91904
"152546"	603.147458	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"2M+2K"	77.926316
"591740"	885.239608	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"3M+2K"	77.926316
"1076618"	321.055308	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2K"	77.926316
"1107647"	643.117892	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2K+H"	78.933592
"1342939"	643.205507	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+DMSO+H"	79.021207
"1019859"	647.244676	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2ACN+H"	83.060376
"1537251"	648.238308	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+IsoProp+Na+H"	84.054008
"1001514"	324.125976	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+2ACN+2H"	84.067652
"1597112"	649.152928	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+K+HCOOH"	84.968628
"1420585"	679.184438	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+H+CF3COOH"	115.000138
"1154153"	344.639251	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+3ACN+2H"	125.094202
"1698358"	696.210985	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+NH4+CF3COOH"	132.026685
"1644824"	701.16638	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+Na+CF3COOH"	136.98208
"1580474"	717.14032	"C17780"	"Aloinoside B"	"C27H32O13"	"564.1843"	"M+K+CF3COOH"	152.95602
"815215"	540.1632	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M"	0
"984373"	521.14481	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-H2O-H"	-19.01839
"73708"	359.101524	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M-3H"	-3.021828
"517522"	539.155924	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M-3H"	-3.021828
"883417"	179.047124	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-3H"	-3.021828
"1624"	539.155924	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M-2H"	-2.014552
"443736"	809.237524	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M-2H"	-2.014552
"831027"	269.074324	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-2H"	-2.014552
"93821"	1079.319124	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M-H"	-1.007276
"533829"	1619.482324	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M-H"	-1.007276
"910577"	539.155924	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-H"	-1.007276
"62401"	1096.345671	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M-2H+NH4"	16.019271
"502404"	1636.508871	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M-2H+NH4"	16.019271
"878303"	556.182471	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-2H+NH4"	16.019271
"44747"	1101.301066	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M-2H+Na"	20.974666
"486734"	1641.464266	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M-2H+Na"	20.974666
"863320"	561.137866	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-2H+Na"	20.974666
"1631885"	561.137866	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Na-2H"	20.974666
"104160"	557.144263	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M-H+Cl"	33.962126
"544809"	827.225863	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M-H+Cl"	33.962126
"936137"	287.062663	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-H+Cl"	33.962126
"269227"	1115.295802	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+Cl"	34.969402
"667119"	1655.459002	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+Cl"	34.969402
"1275513"	575.132602	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Cl"	34.969402
"18798"	1117.275006	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M-2H+K"	36.948606
"456773"	1657.438206	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M-2H+K"	36.948606
"836156"	577.111806	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-2H+K"	36.948606
"1556315"	577.111806	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+K-2H"	36.948606
"943870"	585.161394	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-H+HCOOH"	44.998194
"362458"	1125.324601	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+HCOOH-H"	44.998201
"347434"	1139.340251	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+Hac-H"	59.013851
"1493712"	599.177051	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Hac-H"	59.013851
"959916"	607.143351	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-H+NaCOOH"	66.980151
"110772"	575.132602	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+2Cl"	69.938804
"551175"	845.214202	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+2Cl"	69.938804
"1022163"	305.051002	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2Cl"	69.938804
"1241421"	619.082085	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Br"	78.918885
"1305171"	621.138072	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Cl+HCOOH"	80.974872
"1324986"	643.120029	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Cl+NaCOOH"	102.956829
"919324"	653.148786	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M-H+CF3COOH"	112.985586
"1290929"	689.125464	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Cl+CF3COOH"	148.962264
"1369820"	505.150524	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H-2H2O"	-35.012676
"1388413"	523.1605	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H-H2O"	-17.0027
"288097"	1081.333676	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+H"	1.007276
"685991"	1621.496876	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+H"	1.007276
"1356871"	541.170476	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H"	1.007276
"130853"	541.170476	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+2H"	2.014552
"566762"	811.252076	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+2H"	2.014552
"1039210"	271.088876	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2H"	2.014552
"214770"	361.116076	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+3H"	3.021828
"648131"	541.170476	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+3H"	3.021828
"1164432"	181.061676	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+3H"	3.021828
"425148"	1098.360223	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+NH4"	18.033823
"786385"	1638.523423	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+NH4"	18.033823
"1681580"	558.197023	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+NH4"	18.033823
"330346"	549.6837495	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+H+NH4"	19.041099
"726457"	819.7653495	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+H+NH4"	19.041099
"1477360"	279.6021495	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H+NH4"	19.041099
"400789"	1103.315618	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+Na"	22.989218
"760692"	1643.478818	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+Na"	22.989218
"1609889"	563.152418	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Na"	22.989218
"328326"	552.161447	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+H+Na"	23.996494
"722325"	822.243047	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+H+Na"	23.996494
"1476346"	282.079847	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H+Na"	23.996494
"1063428"	188.38899	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2H+Na"	25.00377
"1267293"	573.196686	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+CH3OH+H"	33.033486
"390971"	1119.289558	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+K"	38.963158
"753674"	1659.452758	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+K"	38.963158
"1551469"	579.126358	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+K"	38.963158
"307551"	560.148417	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+H+K"	39.970434
"697785"	830.230017	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+H+K"	39.970434
"1449418"	290.066817	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H+K"	39.970434
"241297"	1122.360226	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+ACN+H"	42.033826
"1216193"	582.197026	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+ACN+H"	42.033826
"1202263"	291.602151	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+ACN+2H"	43.041102
"197321"	1125.29756	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+2Na-H"	44.97116
"635788"	1665.46076	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+2Na-H"	44.97116
"1141846"	585.13436	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2Na-H"	44.97116
"177117"	563.152418	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+2Na"	45.978436
"617777"	833.234018	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+2Na"	45.978436
"1121286"	293.070818	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2Na"	45.978436
"1405904"	195.716304	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H+2Na"	46.985712
"1443129"	587.175946	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H+HCOOH"	47.012746
"229911"	568.18544	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+3H2O+2H"	56.04448
"1521253"	601.22799	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+IsoProp+H"	61.06479
"422763"	571.139388	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+Na+K"	61.952376
"779747"	841.220988	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+Na+K"	61.952376
"1671703"	301.057788	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Na+K"	61.952376
"259317"	1144.342168	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+ACN+Na"	64.015768
"1232027"	604.178968	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+ACN+Na"	64.015768
"1722006"	604.202493	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+NH4+HCOOH"	64.039293
"1185175"	203.043618	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+3Na"	68.967654
"1657252"	609.157888	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Na+HCOOH"	68.994688
"168489"	1157.24544	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+2K-H"	76.91904
"604768"	1697.40864	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+2K-H"	76.91904
"1091467"	617.08224	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2K-H"	76.91904
"145003"	579.126358	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"2M+2K"	77.926316
"587846"	849.207958	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"3M+2K"	77.926316
"1068624"	309.044758	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2K"	77.926316
"1107757"	619.096792	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2K+H"	78.933592
"1348519"	619.184407	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+DMSO+H"	79.021207
"1020820"	623.223576	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2ACN+H"	83.060376
"1539312"	624.217208	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+IsoProp+Na+H"	84.054008
"1005272"	312.115426	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+2ACN+2H"	84.067652
"1600504"	625.131828	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+K+HCOOH"	84.968628
"1427256"	655.163338	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+H+CF3COOH"	115.000138
"1157543"	332.628701	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+3ACN+2H"	125.094202
"1698347"	672.189885	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+NH4+CF3COOH"	132.026685
"1647121"	677.14528	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+Na+CF3COOH"	136.98208
"1580584"	693.11922	"C17781"	"2-o-p-Coumaroylaloesin"	"C28H28O11"	"540.1632"	"M+K+CF3COOH"	152.95602
"804752"	178.0994	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M"	0
"981201"	159.08101	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-H2O-H"	-19.01839
"73818"	117.725657333333	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M-3H"	-3.021828
"517389"	177.092124	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M-3H"	-3.021828
"883527"	58.3591906666667	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-3H"	-3.021828
"3558"	177.092124	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M-2H"	-2.014552
"442752"	266.141824	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M-2H"	-2.014552
"822743"	88.042424	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-2H"	-2.014552
"93563"	355.191524	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M-H"	-1.007276
"533128"	533.290924	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M-H"	-1.007276
"910203"	177.092124	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-H"	-1.007276
"62512"	372.218071	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M-2H+NH4"	16.019271
"502760"	550.317471	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M-2H+NH4"	16.019271
"879630"	194.118671	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-2H+NH4"	16.019271
"46192"	377.173466	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M-2H+Na"	20.974666
"486602"	555.272866	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M-2H+Na"	20.974666
"863672"	199.074066	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-2H+Na"	20.974666
"1632117"	199.074066	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Na-2H"	20.974666
"105362"	195.080463	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M-H+Cl"	33.962126
"544919"	284.130163	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M-H+Cl"	33.962126
"937340"	106.030763	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-H+Cl"	33.962126
"271160"	391.168202	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+Cl"	34.969402
"662487"	569.267602	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+Cl"	34.969402
"1276348"	213.068802	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Cl"	34.969402
"18908"	393.147406	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M-2H+K"	36.948606
"457736"	571.246806	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M-2H+K"	36.948606
"835172"	215.048006	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-2H+K"	36.948606
"1556839"	215.048006	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+K-2H"	36.948606
"944479"	223.097594	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-H+HCOOH"	44.998194
"363056"	401.197001	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+HCOOH-H"	44.998201
"346209"	415.212651	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+Hac-H"	59.013851
"1497475"	237.113251	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Hac-H"	59.013851
"966110"	245.079551	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-H+NaCOOH"	66.980151
"115017"	213.068802	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+2Cl"	69.938804
"550197"	302.118502	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+2Cl"	69.938804
"1022275"	124.019102	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2Cl"	69.938804
"1244417"	257.018285	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Br"	78.918885
"1309782"	259.074272	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Cl+HCOOH"	80.974872
"1328379"	281.056229	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Cl+NaCOOH"	102.956829
"918342"	291.084986	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M-H+CF3COOH"	112.985586
"1291040"	327.061664	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Cl+CF3COOH"	148.962264
"1375401"	143.086724	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H-2H2O"	-35.012676
"1391803"	161.0967	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H-H2O"	-17.0027
"287114"	357.206076	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+H"	1.007276
"687928"	535.305476	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+H"	1.007276
"1359168"	179.106676	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H"	1.007276
"134245"	179.106676	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+2H"	2.014552
"571616"	268.156376	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+2H"	2.014552
"1043699"	90.056976	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2H"	2.014552
"212692"	119.740209333333	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+3H"	3.021828
"654440"	179.106676	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+3H"	3.021828
"1168190"	60.3737426666667	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+3H"	3.021828
"425745"	374.232623	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+NH4"	18.033823
"786986"	552.332023	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+NH4"	18.033823
"1683314"	196.133223	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+NH4"	18.033823
"331226"	187.6199495	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+H+NH4"	19.041099
"726202"	276.6696495	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+H+NH4"	19.041099
"1481114"	98.5702495	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H+NH4"	19.041099
"405278"	379.188018	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+Na"	22.989218
"765179"	557.287418	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+Na"	22.989218
"1607812"	201.088618	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Na"	22.989218
"329694"	190.097647	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+H+Na"	23.996494
"719764"	279.147347	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+H+Na"	23.996494
"1476937"	101.047947	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H+Na"	23.996494
"1067672"	67.7010566666667	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2H+Na"	25.00377
"1272751"	211.132886	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+CH3OH+H"	33.033486
"392546"	395.161958	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+K"	38.963158
"754214"	573.261358	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+K"	38.963158
"1555268"	217.062558	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+K"	38.963158
"312037"	198.084617	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+H+K"	39.970434
"701175"	287.134317	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+H+K"	39.970434
"1449163"	109.034917	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H+K"	39.970434
"241408"	398.232626	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+ACN+H"	42.033826
"1217397"	220.133226	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+ACN+H"	42.033826
"1200189"	110.570251	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+ACN+2H"	43.041102
"195245"	401.16996	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+2Na-H"	44.97116
"633716"	579.26936	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+2Na-H"	44.97116
"1137223"	223.07056	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2Na-H"	44.97116
"179781"	201.088618	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+2Na"	45.978436
"623355"	290.138318	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+2Na"	45.978436
"1122489"	112.038918	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2Na"	45.978436
"1411120"	75.0283706666667	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H+2Na"	46.985712
"1441787"	225.112146	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H+HCOOH"	47.012746
"230026"	206.12164	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+3H2O+2H"	56.04448
"1521731"	239.16419	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+IsoProp+H"	61.06479
"419959"	209.075588	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+Na+K"	61.952376
"783138"	298.125288	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+Na+K"	61.952376
"1677285"	120.025888	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Na+K"	61.952376
"260522"	420.214568	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+ACN+Na"	64.015768
"1234323"	242.115168	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+ACN+Na"	64.015768
"1719930"	242.138693	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+NH4+HCOOH"	64.039293
"1185284"	82.3556846666667	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+3Na"	68.967654
"1657366"	247.094088	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Na+HCOOH"	68.994688
"165318"	433.11784	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+2K-H"	76.91904
"600508"	611.21724	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+2K-H"	76.91904
"1092671"	255.01844	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2K-H"	76.91904
"145116"	217.062558	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"2M+2K"	77.926316
"585770"	306.112258	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"3M+2K"	77.926316
"1076845"	128.012858	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2K"	77.926316
"1106773"	257.032992	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2K+H"	78.933592
"1343161"	257.120607	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+DMSO+H"	79.021207
"1018253"	261.159776	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2ACN+H"	83.060376
"1538444"	262.153408	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+IsoProp+Na+H"	84.054008
"998451"	131.083526	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+2ACN+2H"	84.067652
"1597333"	263.068028	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+K+HCOOH"	84.968628
"1422991"	293.099538	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+H+CF3COOH"	115.000138
"1156560"	151.596801	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+3ACN+2H"	125.094202
"1698456"	310.126085	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+NH4+CF3COOH"	132.026685
"1637386"	315.08148	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+Na+CF3COOH"	136.98208
"1572673"	331.05542	"C17782"	"35-Dimethoxyallylbenzene"	"C11H14O2"	"178.0994"	"M+K+CF3COOH"	152.95602
"815072"	174.1045	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M"	0
"984593"	155.08611	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-H2O-H"	-19.01839
"77210"	115.062390666667	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M-3H"	-3.021828
"514583"	173.097224	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M-3H"	-3.021828
"890198"	57.0275573333333	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-3H"	-3.021828
"2212"	173.097224	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M-2H"	-2.014552
"442865"	260.149474	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M-2H"	-2.014552
"825044"	86.044974	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-2H"	-2.014552
"93553"	347.201724	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M-H"	-1.007276
"534050"	521.306224	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M-H"	-1.007276
"911244"	173.097224	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-H"	-1.007276
"62632"	364.228271	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M-2H+NH4"	16.019271
"502754"	538.332771	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M-2H+NH4"	16.019271
"879339"	190.123771	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-2H+NH4"	16.019271
"46981"	369.183666	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M-2H+Na"	20.974666
"486840"	543.288166	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M-2H+Na"	20.974666
"864037"	195.079166	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-2H+Na"	20.974666
"1633890"	195.079166	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Na-2H"	20.974666
"109728"	191.085563	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M-H+Cl"	33.962126
"547219"	278.137813	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M-H+Cl"	33.962126
"939639"	104.033313	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-H+Cl"	33.962126
"273092"	383.178402	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+Cl"	34.969402
"671713"	557.282902	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+Cl"	34.969402
"1278649"	209.073902	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Cl"	34.969402
"25579"	385.157606	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M-2H+K"	36.948606
"462952"	559.262106	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M-2H+K"	36.948606
"837474"	211.053106	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-2H+K"	36.948606
"1556462"	211.053106	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+K-2H"	36.948606
"943614"	219.102694	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-H+HCOOH"	44.998194
"361428"	393.207201	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+HCOOH-H"	44.998201
"345845"	407.222851	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+Hac-H"	59.013851
"1497585"	233.118351	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Hac-H"	59.013851
"960752"	241.084651	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-H+NaCOOH"	66.980151
"110159"	209.073902	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+2Cl"	69.938804
"550001"	296.126152	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+2Cl"	69.938804
"1021412"	122.021652	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2Cl"	69.938804
"1243434"	253.023385	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Br"	78.918885
"1309892"	255.079372	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Cl+HCOOH"	80.974872
"1331771"	277.061329	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Cl+NaCOOH"	102.956829
"920639"	287.090086	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M-H+CF3COOH"	112.985586
"1290177"	323.066764	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Cl+CF3COOH"	148.962264
"1379522"	139.091824	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H-2H2O"	-35.012676
"1388634"	157.1018	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H-H2O"	-17.0027
"285401"	349.216276	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+H"	1.007276
"689132"	523.320776	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+H"	1.007276
"1359278"	175.111776	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H"	1.007276
"137635"	175.111776	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+2H"	2.014552
"571726"	262.164026	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+2H"	2.014552
"1043809"	88.059526	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2H"	2.014552
"212802"	117.076942666667	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+3H"	3.021828
"655643"	175.111776	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+3H"	3.021828
"1168301"	59.0421093333333	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+3H"	3.021828
"424646"	366.242823	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+NH4"	18.033823
"785919"	540.347323	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+NH4"	18.033823
"1682699"	192.138323	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+NH4"	18.033823
"331338"	183.6250495	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+H+NH4"	19.041099
"726313"	270.6772995	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+H+NH4"	19.041099
"1479404"	96.5727995	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H+NH4"	19.041099
"406848"	371.198218	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+Na"	22.989218
"766385"	545.302718	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+Na"	22.989218
"1614488"	197.093718	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Na"	22.989218
"325631"	186.102747	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+H+Na"	23.996494
"720969"	273.154997	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+H+Na"	23.996494
"1475882"	99.050497	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H+Na"	23.996494
"1066212"	66.3694233333333	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2H+Na"	25.00377
"1272264"	207.137986	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+CH3OH+H"	33.033486
"391694"	387.172158	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+K"	38.963158
"754191"	561.276658	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+K"	38.963158
"1555098"	213.067658	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+K"	38.963158
"312876"	194.089717	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+H+K"	39.970434
"703477"	281.141967	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+H+K"	39.970434
"1450734"	107.037467	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H+K"	39.970434
"241520"	390.242826	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+ACN+H"	42.033826
"1215326"	216.138326	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+ACN+H"	42.033826
"1197387"	108.572801	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+ACN+2H"	43.041102
"194268"	393.18016	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+2Na-H"	44.97116
"630910"	567.28466	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+2Na-H"	44.97116
"1135147"	219.07566	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2Na-H"	44.97116
"178798"	197.093718	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+2Na"	45.978436
"620186"	284.145968	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+2Na"	45.978436
"1121506"	110.041468	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2Na"	45.978436
"1411230"	73.6967373333333	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H+2Na"	46.985712
"1444449"	221.117246	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H+HCOOH"	47.012746
"233415"	202.12674	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+3H2O+2H"	56.04448
"1523870"	235.16929	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+IsoProp+H"	61.06479
"423350"	205.080688	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+Na+K"	61.952376
"784953"	292.132938	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+Na+K"	61.952376
"1681205"	118.028438	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Na+K"	61.952376
"265006"	412.224768	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+ACN+Na"	64.015768
"1239902"	238.120268	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+ACN+Na"	64.015768
"1725508"	238.143793	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+NH4+HCOOH"	64.039293
"1193779"	81.0240513333333	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+3Na"	68.967654
"1664037"	243.099188	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Na+HCOOH"	68.994688
"162152"	425.12804	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+2K-H"	76.91904
"607178"	599.23254	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+2K-H"	76.91904
"1093874"	251.02354	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2K-H"	76.91904
"146320"	213.067658	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"2M+2K"	77.926316
"595601"	300.119908	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"3M+2K"	77.926316
"1080236"	126.015408	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2K"	77.926316
"1110165"	253.038092	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2K+H"	78.933592
"1350811"	253.125707	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+DMSO+H"	79.021207
"1021209"	257.164876	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2ACN+H"	83.060376
"1539697"	258.158508	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+IsoProp+Na+H"	84.054008
"1002937"	129.086076	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+2ACN+2H"	84.067652
"1599630"	259.073128	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+K+HCOOH"	84.968628
"1424196"	289.104638	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+H+CF3COOH"	115.000138
"1154483"	149.599351	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+3ACN+2H"	125.094202
"1698567"	306.131185	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+NH4+CF3COOH"	132.026685
"1646247"	311.08658	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+Na+CF3COOH"	136.98208
"1580804"	327.06052	"C17783"	"Capillanol"	"C12H14O"	"174.1045"	"M+K+CF3COOH"	152.95602
"802420"	314.079	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M"	0
"986890"	295.06061	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"76227"	208.378724	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"514693"	313.071724	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"884841"	103.685724	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"175"	313.071724	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"442975"	470.111224	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"819681"	156.032224	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"87336"	627.150724	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"532614"	941.229724	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"907982"	313.071724	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"61996"	644.177271	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"500824"	958.256271	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"879760"	330.098271	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"46289"	649.132666	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"486784"	963.211666	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"864065"	335.053666	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1633066"	335.053666	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"107771"	331.060063	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"542955"	488.099563	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"939384"	174.020563	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"276118"	663.127402	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"660520"	977.206402	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1278756"	349.048402	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"22409"	665.106606	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"463061"	979.185606	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"837584"	351.027606	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1556085"	351.027606	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"943604"	359.077194	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"361815"	673.156201	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"346348"	687.171851	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1492961"	373.092851	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"959515"	381.059151	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"110290"	349.048402	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"550539"	506.087902	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1022859"	192.008902	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1243180"	392.997885	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1307815"	395.053872	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1331881"	417.035829	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"917469"	427.064586	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1289802"	463.041264	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1377809"	279.066324	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1386921"	297.0763	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"285147"	629.165276	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"687051"	943.244276	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1359388"	315.086276	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H"	1.007276
"134465"	315.086276	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"571836"	472.125776	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1038447"	158.046776	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"205984"	210.393276	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"650286"	315.086276	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1169504"	105.700276	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"426213"	646.191823	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"786113"	960.270823	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1683174"	332.112823	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"331446"	323.5995495	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"725693"	480.6390495	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1479511"	166.5600495	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"406594"	651.147218	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"766495"	965.226218	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1613505"	337.068218	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"327930"	326.077247	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"722765"	483.116747	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1475265"	169.037747	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1068272"	113.02759	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1272582"	347.112486	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"392696"	667.121158	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"754178"	981.200158	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1554721"	353.042158	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K"	38.963158
"312622"	334.064217	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"703587"	491.103717	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1449751"	177.024717	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"241631"	670.191826	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1214343"	356.112826	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1197497"	178.560051	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"193285"	673.12916	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"633207"	987.20816	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1136350"	359.05016	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"178908"	337.068218	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"620295"	494.107718	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1121616"	180.028718	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1409154"	120.354904	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1445491"	361.091746	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"235268"	342.10124	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1523980"	375.14379	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"424111"	345.055188	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"785637"	502.094688	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1681030"	188.015688	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"265116"	692.173768	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1237825"	378.094768	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1727805"	378.118293	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1194159"	127.682218	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1665536"	383.073688	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"166636"	705.07704	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"608382"	1019.15604	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1093985"	390.99804	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"145338"	353.042158	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"595711"	510.081658	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1080346"	196.002658	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1109182"	393.012592	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1350921"	393.100207	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1020665"	397.139376	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1539602"	398.133008	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"1001953"	199.073326	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1599740"	399.047628	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1424306"	429.079138	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1154593"	219.586601	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1698677"	446.105685	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1646357"	451.06108	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1580914"	467.03502	"C17784"	"4-Methylcapillarisin;57-Dihydroxy-46-dimethoxyflavone"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"802652"	314.079	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M"	0
"984813"	295.06061	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"76338"	208.378724	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"514803"	313.071724	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"884951"	103.685724	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"321"	313.071724	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"444178"	470.111224	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"823074"	156.032224	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"90362"	627.150724	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"523724"	941.229724	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"901526"	313.071724	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"61005"	644.177271	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"501786"	958.256271	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"878008"	330.098271	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"46517"	649.132666	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"485712"	963.211666	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"863764"	335.053666	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1633906"	335.053666	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"109386"	331.060063	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"546344"	488.099563	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"937671"	174.020563	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"275133"	663.127402	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"661116"	977.206402	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1278866"	349.048402	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"21425"	665.106606	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"459891"	979.185606	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"833230"	351.027606	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1555690"	351.027606	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"943104"	359.077194	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"361640"	673.156201	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"345736"	687.171851	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1492774"	373.092851	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"960717"	381.059151	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"110169"	349.048402	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"550770"	506.087902	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1021754"	192.008902	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1244383"	392.997885	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1313394"	395.053872	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1327615"	417.035829	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"915393"	427.064586	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1289914"	463.041264	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1378648"	279.066324	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1386667"	297.0763	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"284040"	629.165276	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"688983"	943.244276	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1359498"	315.086276	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H"	1.007276
"134211"	315.086276	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"568666"	472.125776	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1037825"	158.046776	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"204712"	210.393276	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"647115"	315.086276	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1166333"	105.700276	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"425959"	646.191823	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"786463"	960.270823	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1681577"	332.112823	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"330463"	323.5995495	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"723735"	480.6390495	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1479620"	166.5600495	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"404515"	651.147218	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"764418"	965.226218	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1614708"	337.068218	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"329713"	326.077247	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"722537"	483.116747	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1476992"	169.037747	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1068344"	113.02759	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1272654"	347.112486	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"391784"	667.121158	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"754175"	981.200158	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1555076"	353.042158	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+K"	38.963158
"312732"	334.064217	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"700417"	491.103717	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1454234"	177.024717	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"243926"	670.191826	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1215546"	356.112826	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1199793"	178.560051	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"195581"	673.12916	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"635139"	987.20816	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1138646"	359.05016	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"180110"	337.068218	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"619312"	494.107718	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1122819"	180.028718	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1407077"	120.354904	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1445033"	361.091746	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"234730"	342.10124	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1523525"	375.14379	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"424025"	345.055188	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"784565"	502.094688	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1679804"	188.015688	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"264133"	692.173768	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1239028"	378.094768	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1728120"	378.118293	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1194104"	127.682218	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1665317"	383.073688	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"166746"	705.07704	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"608492"	1019.15604	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1095189"	390.99804	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"152008"	353.042158	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"589381"	510.081658	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1077175"	196.002658	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1109291"	393.012592	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1350423"	393.100207	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1021059"	397.139376	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1539141"	398.133008	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"1004738"	199.073326	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1601550"	399.047628	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1427696"	429.079138	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1157983"	219.586601	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1699880"	446.105685	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1646468"	451.06108	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1581024"	467.03502	"C17785"	"7-Methylcapillarisin;Cirsimaritin;Scrophulein"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"803005"	286.0477	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M"	0
"988203"	267.02931	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"77786"	189.691190666667	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"514913"	285.040424	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"883968"	94.3419573333333	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"4728"	285.040424	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"443559"	428.064274	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"822090"	142.016574	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"87554"	571.088124	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"530395"	857.135824	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"904917"	285.040424	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"59292"	588.114671	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"500919"	874.162371	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"879090"	302.066971	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"45531"	593.070066	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"486430"	879.117766	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"862901"	307.022366	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1633042"	307.022366	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"108597"	303.028763	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"542082"	446.052613	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"940819"	160.004913	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"275243"	607.064802	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"663292"	893.112502	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1275696"	321.017102	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"24815"	609.044006	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"457813"	895.091706	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"833424"	322.996306	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1561291"	322.996306	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"945891"	331.045894	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"361917"	617.093601	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"346282"	631.109251	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1493413"	345.061551	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"959738"	353.027851	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"110710"	321.017102	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"550634"	464.040952	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1022838"	177.993252	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1245586"	364.966585	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1310224"	367.022572	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1328818"	389.004529	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"918782"	399.033286	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1291116"	435.009964	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1378031"	251.035024	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1388964"	269.045	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"283907"	573.102676	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"688730"	859.150376	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1359608"	287.054976	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"134685"	287.054976	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"572056"	430.078826	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1038300"	144.031126	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"205473"	191.705742666667	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"647224"	287.054976	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1166443"	96.3565093333333	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"426801"	590.129223	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"786697"	876.176923	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1682055"	304.081523	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"332035"	295.5682495	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"724089"	438.5920995	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1477907"	152.5443995	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"405718"	595.084618	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"764527"	881.132318	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1615918"	309.036918	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"327422"	298.045947	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"722154"	441.069797	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1475245"	155.022097	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1067519"	103.683823333333	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1271748"	319.081186	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"392022"	611.058558	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"753504"	897.106258	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1555419"	325.010858	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"312842"	306.032917	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"703807"	449.056767	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1450699"	163.009067	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"246230"	614.129226	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1215656"	328.081526	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1203914"	164.544401	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"201890"	617.06656	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"638532"	903.11426	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1140943"	331.01886	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"180949"	309.036918	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"621608"	452.060768	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1122929"	166.013068	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1410102"	111.011137333333	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1444416"	333.060446	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"234475"	314.06994	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1523631"	347.11249	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"424134"	317.023888	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"780668"	460.047738	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1679915"	174.000038	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"264246"	636.111168	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1238776"	350.063468	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1727178"	350.086993	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1193752"	118.338451333333	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1664497"	355.042388	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"170136"	649.01444	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"609695"	935.06214	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1096392"	362.96674	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"152119"	325.010858	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"591678"	468.034708	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1077285"	181.987008	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1109401"	364.981292	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1350411"	365.068907	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1021009"	369.108076	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1539698"	370.101708	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"1002173"	185.057676	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1601902"	371.016328	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1427806"	401.047838	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1158093"	205.570951	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1699990"	418.074385	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1646577"	423.02978	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1581134"	439.00372	"C17786"	"6-Demethoxycapillarisin"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"801779"	360.0845	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M"	0
"985033"	341.06611	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"71090"	239.049057333333	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"510650"	359.077224	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"882983"	119.020890666667	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"702"	359.077224	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"444395"	539.119474	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"820008"	179.034974	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"87664"	719.161724	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"528317"	1079.246224	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"905027"	359.077224	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"59402"	736.188271	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"501759"	1096.272771	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"878954"	376.103771	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"46368"	741.143666	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"485324"	1101.228166	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"863660"	381.059166	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1633800"	381.059166	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"108828"	377.065563	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"543285"	557.107813	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"937891"	197.023313	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"272074"	755.138402	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"665590"	1115.222902	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1282367"	395.053902	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"22738"	757.117606	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"459016"	1117.202106	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"839005"	397.033106	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1557388"	397.033106	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"946001"	405.082694	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"361663"	765.167201	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"345757"	779.182851	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1493403"	419.098351	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"959369"	427.064651	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"110337"	395.053902	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"550627"	575.096152	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1024649"	215.011652	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1244603"	439.003385	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1312521"	441.059372	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1327835"	463.041329	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"921081"	473.070086	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1295602"	509.046764	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1377413"	325.071824	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1389074"	343.0818	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"284018"	721.176276	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"689569"	1081.260776	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1362998"	361.091776	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"136255"	361.091776	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"571073"	541.134026	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1038411"	181.049526	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"207406"	241.063609333333	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"646970"	361.091776	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1167646"	121.035442666667	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"426546"	738.202823	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"786807"	1098.287323	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1681801"	378.118323	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"333240"	369.6050495	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"726389"	549.6472995	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1479113"	189.5627995	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"406193"	743.158218	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"765730"	1103.242718	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1614935"	383.073718	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"328507"	372.082747	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"722265"	552.124997	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1476569"	192.040497	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1068032"	128.362756666667	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1272685"	393.117986	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"392452"	759.132158	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"754152"	1119.216658	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1555259"	399.047658	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"312952"	380.069717	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"698446"	560.111967	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1453363"	200.027467	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"246340"	762.202826	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1220141"	402.118326	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1204024"	201.562801	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"203215"	765.14016	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"638642"	1125.22466	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1139960"	405.05566	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"178873"	383.073718	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"619532"	563.115968	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1123039"	203.031468	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1410212"	135.690070666667	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1444891"	407.097246	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"232396"	388.10674	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1521917"	421.14929	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"422699"	391.060688	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"783692"	571.102938	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1680876"	211.018438	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"263992"	784.184768	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1235606"	424.100268	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1724127"	424.123793	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1194134"	143.017384666667	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1665538"	429.079188	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"171218"	797.08804	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"609805"	1157.17254	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1095409"	437.00354	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"152229"	399.047658	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"591788"	579.089908	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1077395"	219.005408	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1106231"	439.018092	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1350763"	439.105707	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1020999"	443.144876	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1538993"	444.138508	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"995721"	222.076076	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1602133"	445.053128	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1424634"	475.084638	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1154923"	242.589351	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1701193"	492.111185	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1646687"	497.06658	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1581244"	513.04052	"C17787"	"Arcapillin"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"808328"	346.0689	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M"	0
"988423"	327.05051	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-H2O-H"	-19.01839
"74480"	229.705324	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M-3H"	-3.021828
"512946"	345.061624	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M-3H"	-3.021828
"883094"	114.349024	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-3H"	-3.021828
"1664"	345.061624	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M-2H"	-2.014552
"447785"	518.096074	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M-2H"	-2.014552
"822306"	172.027174	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-2H"	-2.014552
"85587"	691.130524	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M-H"	-1.007276
"528427"	1037.199424	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M-H"	-1.007276
"907323"	345.061624	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-H"	-1.007276
"59877"	708.157071	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M-2H+NH4"	16.019271
"501138"	1054.225971	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M-2H+NH4"	16.019271
"876510"	362.088171	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-2H+NH4"	16.019271
"40400"	713.112466	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M-2H+Na"	20.974666
"483853"	1059.181366	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M-2H+Na"	20.974666
"862143"	367.043566	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-2H+Na"	20.974666
"1627300"	367.043566	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Na-2H"	20.974666
"103828"	363.049963	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M-H+Cl"	33.962126
"543395"	536.084413	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M-H+Cl"	33.962126
"938001"	190.015513	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-H+Cl"	33.962126
"271453"	727.107202	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+Cl"	34.969402
"662419"	1073.176102	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+Cl"	34.969402
"1282477"	381.038302	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Cl"	34.969402
"22848"	729.086406	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M-2H+K"	36.948606
"461312"	1075.155306	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M-2H+K"	36.948606
"839114"	383.017506	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-2H+K"	36.948606
"1557862"	383.017506	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+K-2H"	36.948606
"946111"	391.067094	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-H+HCOOH"	44.998194
"362260"	737.136001	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+HCOOH-H"	44.998201
"346386"	751.151651	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+Hac-H"	59.013851
"1493755"	405.082751	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Hac-H"	59.013851
"960572"	413.049051	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-H+NaCOOH"	66.980151
"111057"	381.038302	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+2Cl"	69.938804
"551954"	554.072752	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+2Cl"	69.938804
"1022576"	208.003852	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2Cl"	69.938804
"1246900"	424.987785	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Br"	78.918885
"1313724"	427.043772	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Cl+HCOOH"	80.974872
"1329038"	449.025729	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Cl+NaCOOH"	102.956829
"922284"	459.054486	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M-H+CF3COOH"	112.985586
"1296805"	495.031164	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Cl+CF3COOH"	148.962264
"1377887"	311.056224	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H-2H2O"	-35.012676
"1389184"	329.0662	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H-H2O"	-17.0027
"284857"	693.145076	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+H"	1.007276
"687855"	1039.213976	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+H"	1.007276
"1363109"	347.076176	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H"	1.007276
"127975"	347.076176	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+2H"	2.014552
"571183"	520.110626	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+2H"	2.014552
"1038521"	174.041726	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2H"	2.014552
"206788"	231.719876	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+3H"	3.021828
"646351"	347.076176	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+3H"	3.021828
"1164475"	116.363576	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+3H"	3.021828
"426656"	710.171623	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+NH4"	18.033823
"786917"	1056.240523	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+NH4"	18.033823
"1682882"	364.102723	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+NH4"	18.033823
"332622"	355.5894495	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+H+NH4"	19.041099
"725407"	528.6238995	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+H+NH4"	19.041099
"1478857"	182.5549995	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H+NH4"	19.041099
"405574"	715.127018	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+Na"	22.989218
"764747"	1061.195918	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+Na"	22.989218
"1615045"	369.058118	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Na"	22.989218
"329630"	358.067147	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+H+Na"	23.996494
"722257"	531.101597	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+H+Na"	23.996494
"1476434"	185.032697	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H+Na"	23.996494
"1068383"	123.69089	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2H+Na"	25.00377
"1272446"	379.102386	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+CH3OH+H"	33.033486
"392688"	731.100958	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+K"	38.963158
"754051"	1077.169858	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+K"	38.963158
"1554434"	385.032058	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+K"	38.963158
"310147"	366.054117	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+H+K"	39.970434
"700744"	539.088567	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+H+K"	39.970434
"1453473"	193.019667	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H+K"	39.970434
"245357"	734.171626	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+ACN+H"	42.033826
"1220251"	388.102726	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+ACN+H"	42.033826
"1204134"	194.555001	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+ACN+2H"	43.041102
"200652"	737.10896	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+2Na-H"	44.97116
"636563"	1083.17786	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+2Na-H"	44.97116
"1137883"	391.04006	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2Na-H"	44.97116
"176797"	369.058118	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+2Na"	45.978436
"619642"	542.092568	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+2Na"	45.978436
"1123149"	196.023668	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2Na"	45.978436
"1406674"	131.018204	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H+2Na"	46.985712
"1442808"	393.081646	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H+HCOOH"	47.012746
"232505"	374.09114	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+3H2O+2H"	56.04448
"1522025"	407.13369	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+IsoProp+H"	61.06479
"424151"	377.045088	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+Na+K"	61.952376
"785266"	550.079538	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+Na+K"	61.952376
"1680990"	204.010638	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Na+K"	61.952376
"265195"	756.153568	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+ACN+Na"	64.015768
"1234258"	410.084668	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+ACN+Na"	64.015768
"1726060"	410.108193	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+NH4+HCOOH"	64.039293
"1194165"	138.345518	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+3Na"	68.967654
"1665329"	415.063588	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Na+HCOOH"	68.994688
"169992"	769.05684	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+2K-H"	76.91904
"611008"	1115.12574	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+2K-H"	76.91904
"1095519"	422.98794	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2K-H"	76.91904
"156798"	385.032058	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"2M+2K"	77.926316
"594085"	558.066508	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"3M+2K"	77.926316
"1078598"	211.997608	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2K"	77.926316
"1106340"	425.002492	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2K+H"	78.933592
"1350753"	425.090107	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+DMSO+H"	79.021207
"1021294"	429.129276	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2ACN+H"	83.060376
"1538982"	430.122908	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+IsoProp+Na+H"	84.054008
"996924"	215.068276	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+2ACN+2H"	84.067652
"1600177"	431.037528	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+K+HCOOH"	84.968628
"1424744"	461.069038	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+H+CF3COOH"	115.000138
"1151753"	235.581551	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+3ACN+2H"	125.094202
"1700210"	478.095585	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+NH4+CF3COOH"	132.026685
"1646797"	483.05098	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+Na+CF3COOH"	136.98208
"1581354"	499.02492	"C17788"	"Eupatolitin"	"C17H14O8"	"346.0689"	"M+K+CF3COOH"	152.95602
"802971"	316.1675	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M"	0
"985253"	297.14911	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-H2O-H"	-19.01839
"73497"	209.771057333333	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M-3H"	-3.021828
"511963"	315.160224	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M-3H"	-3.021828
"883204"	104.381890666667	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-3H"	-3.021828
"1774"	315.160224	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M-2H"	-2.014552
"445708"	473.243974	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M-2H"	-2.014552
"821322"	157.076474	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-2H"	-2.014552
"85697"	631.327724	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M-H"	-1.007276
"525257"	947.495224	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M-H"	-1.007276
"906340"	315.160224	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-H"	-1.007276
"59258"	648.354271	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M-2H+NH4"	16.019271
"498088"	964.521771	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M-2H+NH4"	16.019271
"874434"	332.186771	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-2H+NH4"	16.019271
"39417"	653.309666	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M-2H+Na"	20.974666
"482261"	969.477166	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M-2H+Na"	20.974666
"854596"	337.142166	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-2H+Na"	20.974666
"1625222"	337.142166	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Na-2H"	20.974666
"100656"	333.148563	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M-H+Cl"	33.962126
"543505"	491.232313	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M-H+Cl"	33.962126
"938111"	175.064813	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-H+Cl"	33.962126
"273386"	667.304402	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+Cl"	34.969402
"665809"	983.471902	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+Cl"	34.969402
"1282587"	351.136902	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Cl"	34.969402
"24050"	669.283606	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M-2H+K"	36.948606
"458141"	985.451106	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M-2H+K"	36.948606
"834850"	353.116106	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-2H+K"	36.948606
"1555648"	353.116106	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+K-2H"	36.948606
"943302"	361.165694	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-H+HCOOH"	44.998194
"361672"	677.333201	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+HCOOH-H"	44.998201
"347952"	691.348851	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+Hac-H"	59.013851
"1495691"	375.181351	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Hac-H"	59.013851
"961045"	383.147651	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-H+NaCOOH"	66.980151
"113962"	351.136902	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+2Cl"	69.938804
"552063"	509.220652	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+2Cl"	69.938804
"1023412"	193.053152	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2Cl"	69.938804
"1247010"	395.086385	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Br"	78.918885
"1311647"	397.142372	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Cl+HCOOH"	80.974872
"1329148"	419.124329	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Cl+NaCOOH"	102.956829
"922394"	429.153086	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M-H+CF3COOH"	112.985586
"1296915"	465.129764	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Cl+CF3COOH"	148.962264
"1373982"	281.154824	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H-2H2O"	-35.012676
"1386008"	299.1648	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H-H2O"	-17.0027
"284967"	633.342276	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+H"	1.007276
"687966"	949.509776	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+H"	1.007276
"1362124"	317.174776	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H"	1.007276
"127721"	317.174776	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+2H"	2.014552
"571293"	475.258526	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+2H"	2.014552
"1038265"	159.091026	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2H"	2.014552
"206167"	211.785609333333	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+3H"	3.021828
"647918"	317.174776	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+3H"	3.021828
"1165677"	106.396442666667	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+3H"	3.021828
"427860"	650.368823	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+NH4"	18.033823
"787756"	966.536323	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+NH4"	18.033823
"1684816"	334.201323	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+NH4"	18.033823
"334555"	325.6880495	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+H+NH4"	19.041099
"725881"	483.7717995	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+H+NH4"	19.041099
"1479337"	167.6042995	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H+NH4"	19.041099
"404956"	655.324218	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+Na"	22.989218
"764493"	971.491718	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+Na"	22.989218
"1609678"	339.156718	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Na"	22.989218
"324460"	328.165747	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+H+Na"	23.996494
"722609"	486.249497	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+H+Na"	23.996494
"1476787"	170.081997	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H+Na"	23.996494
"1068371"	113.723756666667	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2H+Na"	25.00377
"1272559"	349.200986	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+CH3OH+H"	33.033486
"392745"	671.298158	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+K"	38.963158
"753702"	987.465658	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+K"	38.963158
"1553451"	355.130658	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+K"	38.963158
"310257"	336.152717	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+H+K"	39.970434
"700854"	494.236467	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+H+K"	39.970434
"1452490"	178.068967	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H+K"	39.970434
"246560"	674.368826	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+ACN+H"	42.033826
"1220361"	358.201326	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+ACN+H"	42.033826
"1203151"	179.604301	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+ACN+2H"	43.041102
"201491"	677.30616	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+2Na-H"	44.97116
"636673"	993.47366	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+2Na-H"	44.97116
"1137990"	361.13866	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2Na-H"	44.97116
"179092"	339.156718	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+2Na"	45.978436
"618659"	497.240468	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+2Na"	45.978436
"1122166"	181.072968	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2Na"	45.978436
"1407878"	121.051070666667	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H+2Na"	46.985712
"1443283"	363.180246	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H+HCOOH"	47.012746
"232979"	344.18974	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+3H2O+2H"	56.04448
"1521041"	377.23229	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+IsoProp+H"	61.06479
"423899"	347.143688	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+Na+K"	61.952376
"785375"	505.227438	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+Na+K"	61.952376
"1680854"	189.059938	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Na+K"	61.952376
"261293"	696.350768	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+ACN+Na"	64.015768
"1235095"	380.183268	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+ACN+Na"	64.015768
"1722886"	380.206793	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+NH4+HCOOH"	64.039293
"1189335"	128.378384666667	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+3Na"	68.967654
"1661416"	385.162188	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Na+HCOOH"	68.994688
"171802"	709.25404	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+2K-H"	76.91904
"606742"	1025.42154	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+2K-H"	76.91904
"1089067"	393.08654	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2K-H"	76.91904
"154635"	355.130658	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"2M+2K"	77.926316
"590914"	513.214408	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"3M+2K"	77.926316
"1077615"	197.046908	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2K"	77.926316
"1105357"	395.101092	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2K+H"	78.933592
"1345023"	395.188707	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+DMSO+H"	79.021207
"1013554"	399.227876	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2ACN+H"	83.060376
"1536054"	400.221508	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+IsoProp+Na+H"	84.054008
"1002502"	200.117576	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+2ACN+2H"	84.067652
"1594818"	401.136128	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+K+HCOOH"	84.968628
"1424854"	431.167638	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+H+CF3COOH"	115.000138
"1152956"	220.630851	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+3ACN+2H"	125.094202
"1702506"	448.194185	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+NH4+CF3COOH"	132.026685
"1646907"	453.14958	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+Na+CF3COOH"	136.98208
"1581464"	469.12352	"C17789"	"Capillartemisin A"	"C19H24O4"	"316.1675"	"M+K+CF3COOH"	152.95602
"802352"	366.1705	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M"	0
"985363"	347.15211	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-H2O-H"	-19.01839
"71420"	243.106390666667	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M-3H"	-3.021828
"510980"	365.163224	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M-3H"	-3.021828
"885501"	121.049557333333	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-3H"	-3.021828
"2251"	365.163224	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M-2H"	-2.014552
"444724"	548.248474	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M-2H"	-2.014552
"820342"	182.077974	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-2H"	-2.014552
"82523"	731.333724	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M-H"	-1.007276
"521354"	1097.504224	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M-H"	-1.007276
"898791"	365.163224	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-H"	-1.007276
"54263"	748.360271	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M-2H+NH4"	16.019271
"491634"	1114.530771	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M-2H+NH4"	16.019271
"868710"	382.189771	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-2H+NH4"	16.019271
"39163"	753.315666	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M-2H+Na"	20.974666
"479089"	1119.486166	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M-2H+Na"	20.974666
"851426"	387.145166	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-2H+Na"	20.974666
"1619256"	387.145166	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Na-2H"	20.974666
"98583"	383.151563	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M-H+Cl"	33.962126
"545802"	566.236813	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M-H+Cl"	33.962126
"938221"	200.066313	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-H+Cl"	33.962126
"272404"	767.310402	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+Cl"	34.969402
"665920"	1133.480902	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+Cl"	34.969402
"1279418"	401.139902	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Cl"	34.969402
"23067"	769.289606	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M-2H+K"	36.948606
"458254"	1135.460106	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M-2H+K"	36.948606
"836056"	403.119106	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-2H+K"	36.948606
"1555693"	403.119106	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+K-2H"	36.948606
"943169"	411.168694	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-H+HCOOH"	44.998194
"362722"	777.339201	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+HCOOH-H"	44.998201
"347335"	791.354851	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+Hac-H"	59.013851
"1497260"	425.184351	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Hac-H"	59.013851
"965895"	433.150651	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-H+NaCOOH"	66.980151
"113707"	401.139902	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+2Cl"	69.938804
"552176"	584.225152	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+2Cl"	69.938804
"1023888"	218.054652	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2Cl"	69.938804
"1248214"	445.089385	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Br"	78.918885
"1310664"	447.145372	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Cl+HCOOH"	80.974872
"1333273"	469.127329	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Cl+NaCOOH"	102.956829
"924328"	479.156086	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M-H+CF3COOH"	112.985586
"1297026"	515.132764	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Cl+CF3COOH"	148.962264
"1370812"	331.157824	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H-2H2O"	-35.012676
"1389402"	349.1678	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H-H2O"	-17.0027
"284712"	733.348276	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+H"	1.007276
"689896"	1099.518776	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+H"	1.007276
"1360047"	367.177776	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H"	1.007276
"129654"	367.177776	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+2H"	2.014552
"567389"	550.263026	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+2H"	2.014552
"1038741"	184.092526	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2H"	2.014552
"206642"	245.120942666667	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+3H"	3.021828
"647664"	367.177776	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+3H"	3.021828
"1164082"	123.064109333333	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+3H"	3.021828
"426142"	750.374823	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+NH4"	18.033823
"787500"	1116.545323	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+NH4"	18.033823
"1683467"	384.204323	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+NH4"	18.033823
"333569"	375.6910495	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+H+NH4"	19.041099
"728180"	558.7762995	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+H+NH4"	19.041099
"1483093"	192.6057995	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H+NH4"	19.041099
"406159"	755.330218	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+Na"	22.989218
"765332"	1121.500718	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+Na"	22.989218
"1609788"	389.159718	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Na"	22.989218
"323841"	378.168747	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+H+Na"	23.996494
"721502"	561.253997	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+H+Na"	23.996494
"1476895"	195.083497	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H+Na"	23.996494
"1066615"	130.391423333333	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2H+Na"	25.00377
"1269750"	399.203986	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+CH3OH+H"	33.033486
"390875"	771.304158	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+K"	38.963158
"752599"	1137.474658	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+K"	38.963158
"1549189"	405.133658	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+K"	38.963158
"310367"	386.155717	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+H+K"	39.970434
"700600"	569.240967	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+H+K"	39.970434
"1453689"	203.070467	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H+K"	39.970434
"242292"	774.374826	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+ACN+H"	42.033826
"1214998"	408.204326	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+ACN+H"	42.033826
"1201068"	204.605801	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+ACN+2H"	43.041102
"196128"	777.31216	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+2Na-H"	44.97116
"636779"	1143.48266	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+2Na-H"	44.97116
"1138097"	411.14166	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2Na-H"	44.97116
"179202"	389.159718	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+2Na"	45.978436
"617676"	572.244968	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+2Na"	45.978436
"1121183"	206.074468	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2Na"	45.978436
"1406896"	137.718737333333	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H+2Na"	46.985712
"1441571"	413.183246	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H+HCOOH"	47.012746
"231996"	394.19274	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+3H2O+2H"	56.04448
"1520058"	427.23529	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+IsoProp+H"	61.06479
"424127"	397.146688	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+Na+K"	61.952376
"785363"	580.231938	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+Na+K"	61.952376
"1679748"	214.061438	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Na+K"	61.952376
"263226"	796.356768	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+ACN+Na"	64.015768
"1235205"	430.186268	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+ACN+Na"	64.015768
"1724089"	430.209793	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+NH4+HCOOH"	64.039293
"1191268"	145.046051333333	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+3Na"	68.967654
"1663715"	435.165188	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Na+HCOOH"	68.994688
"169481"	809.26004	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+2K-H"	76.91904
"607946"	1175.43054	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+2K-H"	76.91904
"1089177"	443.08954	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2K-H"	76.91904
"154745"	405.133658	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"2M+2K"	77.926316
"591024"	588.218908	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"3M+2K"	77.926316
"1077725"	222.048408	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2K"	77.926316
"1103281"	445.104092	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2K+H"	78.933592
"1346226"	445.191707	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+DMSO+H"	79.021207
"1013664"	449.230876	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2ACN+H"	83.060376
"1532883"	450.224508	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+IsoProp+Na+H"	84.054008
"996051"	225.119076	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+2ACN+2H"	84.067652
"1593835"	451.139128	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+K+HCOOH"	84.968628
"1424964"	481.170638	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+H+CF3COOH"	115.000138
"1155252"	245.632351	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+3ACN+2H"	125.094202
"1699337"	498.197185	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+NH4+CF3COOH"	132.026685
"1645924"	503.15258	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+Na+CF3COOH"	136.98208
"1581574"	519.12652	"C17790"	"Dehydrocorydaline"	"C22H24NO4"	"366.1705"	"M+K+CF3COOH"	152.95602
"802462"	784.4609	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M"	0
"985473"	765.44251	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-H2O-H"	-19.01839
"71530"	521.966657333333	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M-3H"	-3.021828
"511090"	783.453624	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M-3H"	-3.021828
"883424"	260.479690666667	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-3H"	-3.021828
"2361"	783.453624	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M-2H"	-2.014552
"444835"	1175.684074	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M-2H"	-2.014552
"822636"	391.223174	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-2H"	-2.014552
"83727"	1567.914524	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M-H"	-1.007276
"522192"	2352.375424	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M-H"	-1.007276
"899265"	783.453624	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-H"	-1.007276
"53279"	1584.941071	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M-2H+NH4"	16.019271
"493930"	2369.401971	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M-2H+NH4"	16.019271
"870642"	800.480171	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-2H+NH4"	16.019271
"39637"	1589.896466	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M-2H+Na"	20.974666
"479199"	2374.357366	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M-2H+Na"	20.974666
"852629"	805.435566	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-2H+Na"	20.974666
"1619974"	805.435566	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Na-2H"	20.974666
"98693"	801.441963	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M-H+Cl"	33.962126
"547005"	1193.672413	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M-H+Cl"	33.962126
"939424"	409.211513	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-H+Cl"	33.962126
"271419"	1603.891202	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+Cl"	34.969402
"667123"	2388.352102	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+Cl"	34.969402
"1280620"	819.430302	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Cl"	34.969402
"22084"	1605.870406	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M-2H+K"	36.948606
"457513"	2390.331306	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M-2H+K"	36.948606
"833979"	821.409506	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-2H+K"	36.948606
"1556371"	821.409506	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+K-2H"	36.948606
"943640"	829.459094	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-H+HCOOH"	44.998194
"363925"	1613.920001	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+HCOOH-H"	44.998201
"348537"	1627.935651	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+Hac-H"	59.013851
"1500650"	843.474751	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Hac-H"	59.013851
"967098"	851.441051	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-H+NaCOOH"	66.980151
"116004"	819.430302	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+2Cl"	69.938804
"553742"	1211.660752	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+2Cl"	69.938804
"1024727"	427.199852	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2Cl"	69.938804
"1248323"	863.379785	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Br"	78.918885
"1310774"	865.435772	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Cl+HCOOH"	80.974872
"1334841"	887.417729	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Cl+NaCOOH"	102.956829
"925895"	897.446486	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M-H+CF3COOH"	112.985586
"1297136"	933.423164	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Cl+CF3COOH"	148.962264
"1372015"	749.448224	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H-2H2O"	-35.012676
"1389512"	767.4582	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H-H2O"	-17.0027
"285185"	1569.929076	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+H"	1.007276
"684902"	2354.389976	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+H"	1.007276
"1356875"	785.468176	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H"	1.007276
"126476"	785.468176	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+2H"	2.014552
"566767"	1177.698626	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+2H"	2.014552
"1037993"	393.237726	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2H"	2.014552
"206022"	523.981209333333	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+3H"	3.021828
"647041"	785.468176	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+3H"	3.021828
"1162978"	262.494242666667	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+3H"	3.021828
"427344"	1586.955623	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+NH4"	18.033823
"786880"	2371.416523	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+NH4"	18.033823
"1681632"	802.494723	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+NH4"	18.033823
"330155"	793.9814495	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+H+NH4"	19.041099
"726467"	1186.2118995	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+H+NH4"	19.041099
"1479923"	401.7509995	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H+NH4"	19.041099
"393369"	1591.911018	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+Na"	22.989218
"758513"	2376.371918	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+Na"	22.989218
"1610990"	807.450118	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Na"	22.989218
"326501"	796.459147	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+H+Na"	23.996494
"721731"	1188.689597	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+H+Na"	23.996494
"1474827"	404.228697	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H+Na"	23.996494
"1067214"	269.821556666667	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2H+Na"	25.00377
"1269860"	817.494386	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+CH3OH+H"	33.033486
"391349"	1607.884958	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+K"	38.963158
"751978"	2392.345858	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+K"	38.963158
"1552214"	823.424058	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+K"	38.963158
"310841"	804.446117	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+H+K"	39.970434
"701074"	1196.676567	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+H+K"	39.970434
"1451612"	412.215667	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H+K"	39.970434
"243494"	1610.955626	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+ACN+H"	42.033826
"1218388"	826.494726	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+ACN+H"	42.033826
"1201178"	413.751001	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+ACN+2H"	43.041102
"195144"	1613.89296	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+2Na-H"	44.97116
"633609"	2398.35386	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+2Na-H"	44.97116
"1138207"	829.43206	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2Na-H"	44.97116
"174939"	807.450118	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+2Na"	45.978436
"617786"	1199.680568	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+2Na"	45.978436
"1121293"	415.219668	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2Na"	45.978436
"1404819"	277.148870666667	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H+2Na"	46.985712
"1442045"	831.473646	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H+HCOOH"	47.012746
"233199"	812.48314	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+3H2O+2H"	56.04448
"1516887"	845.52569	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+IsoProp+H"	61.06479
"418759"	815.437088	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+Na+K"	61.952376
"778661"	1207.667538	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+Na+K"	61.952376
"1677178"	423.206638	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Na+K"	61.952376
"257137"	1632.937568	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+ACN+Na"	64.015768
"1232035"	848.476668	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+ACN+Na"	64.015768
"1714722"	848.500193	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+NH4+HCOOH"	64.039293
"1181171"	284.476184666667	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+3Na"	68.967654
"1660541"	853.455588	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Na+HCOOH"	68.994688
"169591"	1645.84084	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+2K-H"	76.91904
"601496"	2430.30174	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+2K-H"	76.91904
"1086371"	861.37994	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2K-H"	76.91904
"153761"	823.424058	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"2M+2K"	77.926316
"591134"	1215.654508	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"3M+2K"	77.926316
"1080022"	431.193608	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2K"	77.926316
"1103391"	863.394492	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2K+H"	78.933592
"1344149"	863.482107	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+DMSO+H"	79.021207
"1013774"	867.521276	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2ACN+H"	83.060376
"1532993"	868.514908	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+IsoProp+Na+H"	84.054008
"996161"	434.264276	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+2ACN+2H"	84.067652
"1593945"	869.429528	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+K+HCOOH"	84.968628
"1425074"	899.461038	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+H+CF3COOH"	115.000138
"1155362"	454.777551	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+3ACN+2H"	125.094202
"1701633"	916.487585	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+NH4+CF3COOH"	132.026685
"1646034"	921.44298	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+Na+CF3COOH"	136.98208
"1581684"	937.41692	"C17791"	"Cycloaraloside C"	"C41H68O14"	"784.4609"	"M+K+CF3COOH"	152.95602
"805488"	946.5137	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M"	0
"987770"	927.49531	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-H2O-H"	-19.01839
"74921"	630.001857333333	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M-3H"	-3.021828
"512293"	945.506424	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M-3H"	-3.021828
"886814"	314.497290666667	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-3H"	-3.021828
"2472"	945.506424	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M-2H"	-2.014552
"443852"	1418.763274	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M-2H"	-2.014552
"821289"	472.249574	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-2H"	-2.014552
"82743"	1892.020124	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M-H"	-1.007276
"521573"	2838.533824	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M-H"	-1.007276
"897918"	945.506424	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-H"	-1.007276
"53017"	1909.046671	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M-2H+NH4"	16.019271
"491125"	2855.560371	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M-2H+NH4"	16.019271
"872938"	962.532971	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-2H+NH4"	16.019271
"40840"	1914.002066	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M-2H+Na"	20.974666
"480402"	2860.515766	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M-2H+Na"	20.974666
"852739"	967.488366	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-2H+Na"	20.974666
"1622271"	967.488366	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Na-2H"	20.974666
"99895"	963.494763	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M-H+Cl"	33.962126
"548208"	1436.751613	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M-H+Cl"	33.962126
"936254"	490.237913	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-H+Cl"	33.962126
"269705"	1927.996802	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+Cl"	34.969402
"664316"	2874.510502	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+Cl"	34.969402
"1275262"	981.483102	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Cl"	34.969402
"21100"	1929.976006	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M-2H+K"	36.948606
"458474"	2876.489706	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M-2H+K"	36.948606
"835181"	983.462306	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-2H+K"	36.948606
"1557937"	983.462306	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+K-2H"	36.948606
"943548"	991.511894	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-H+HCOOH"	44.998194
"365493"	1938.025601	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+HCOOH-H"	44.998201
"350834"	1952.041251	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+Hac-H"	59.013851
"1498572"	1005.527551	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Hac-H"	59.013851
"965021"	1013.493851	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-H+NaCOOH"	66.980151
"112832"	981.483102	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+2Cl"	69.938804
"551785"	1454.739952	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+2Cl"	69.938804
"1025569"	508.226252	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2Cl"	69.938804
"1243447"	1025.432585	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Br"	78.918885
"1314164"	1027.488572	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Cl+HCOOH"	80.974872
"1321820"	1049.470529	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Cl+NaCOOH"	102.956829
"916160"	1059.499286	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M-H+CF3COOH"	112.985586
"1297246"	1095.475964	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Cl+CF3COOH"	148.962264
"1369937"	911.501024	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H-2H2O"	-35.012676
"1386342"	929.511	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H-H2O"	-17.0027
"283959"	1894.034676	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+H"	1.007276
"683919"	2840.548376	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+H"	1.007276
"1354799"	947.520976	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H"	1.007276
"127436"	947.520976	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+2H"	2.014552
"566998"	1420.777826	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+2H"	2.014552
"1038955"	474.264126	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2H"	2.014552
"205525"	632.016409333333	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+3H"	3.021828
"645694"	947.520976	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+3H"	3.021828
"1165275"	316.511842666667	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+3H"	3.021828
"427089"	1911.061223	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+NH4"	18.033823
"786383"	2857.574923	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+NH4"	18.033823
"1681903"	964.547523	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+NH4"	18.033823
"330872"	956.0342495	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+H+NH4"	19.041099
"726213"	1429.2910995	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+H+NH4"	19.041099
"1480033"	482.7773995	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H+NH4"	19.041099
"393482"	1916.016618	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+Na"	22.989218
"757526"	2862.530318	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+Na"	22.989218
"1608911"	969.502918	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Na"	22.989218
"327704"	958.511947	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+H+Na"	23.996494
"722729"	1431.768797	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+H+Na"	23.996494
"1473949"	485.255097	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H+Na"	23.996494
"1065005"	323.839156666667	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2H+Na"	25.00377
"1271064"	979.547186	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+CH3OH+H"	33.033486
"391462"	1931.990558	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+K"	38.963158
"753911"	2878.504258	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+K"	38.963158
"1553779"	985.476858	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+K"	38.963158
"313867"	966.498917	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+H+K"	39.970434
"703371"	1439.755767	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+H+K"	39.970434
"1451722"	493.242067	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H+K"	39.970434
"242509"	1935.061226	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+ACN+H"	42.033826
"1220685"	988.547526	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+ACN+H"	42.033826
"1203475"	494.777401	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+ACN+2H"	43.041102
"196347"	1937.99856	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+2Na-H"	44.97116
"633719"	2884.51226	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+2Na-H"	44.97116
"1138319"	991.48486	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2Na-H"	44.97116
"177600"	969.502918	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+2Na"	45.978436
"618987"	1442.759768	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+2Na"	45.978436
"1121402"	496.246068	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2Na"	45.978436
"1407115"	331.166470666667	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H+2Na"	46.985712
"1442519"	993.526446	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H+HCOOH"	47.012746
"226748"	974.53594	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+3H2O+2H"	56.04448
"1516996"	1007.57849	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+IsoProp+H"	61.06479
"417774"	977.489888	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+Na+K"	61.952376
"776584"	1450.746738	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+Na+K"	61.952376
"1670727"	504.233038	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Na+K"	61.952376
"255060"	1957.043168	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+ACN+Na"	64.015768
"1232145"	1010.529468	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+ACN+Na"	64.015768
"1714468"	1010.552993	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+NH4+HCOOH"	64.039293
"1180188"	338.493784666667	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+3Na"	68.967654
"1658464"	1015.508388	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Na+HCOOH"	68.994688
"169701"	1969.94644	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+2K-H"	76.91904
"601606"	2916.46014	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+2K-H"	76.91904
"1086117"	1023.43274	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2K-H"	76.91904
"153871"	985.476858	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"2M+2K"	77.926316
"592338"	1458.733708	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"3M+2K"	77.926316
"1082928"	512.220008	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2K"	77.926316
"1106781"	1025.447292	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2K+H"	78.933592
"1346446"	1025.534907	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+DMSO+H"	79.021207
"1013884"	1029.574076	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2ACN+H"	83.060376
"1529823"	1030.567708	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+IsoProp+Na+H"	84.054008
"996271"	515.290676	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+2ACN+2H"	84.067652
"1594055"	1031.482328	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+K+HCOOH"	84.968628
"1425184"	1061.513838	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+H+CF3COOH"	115.000138
"1152192"	535.803951	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+3ACN+2H"	125.094202
"1700650"	1078.540385	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+NH4+CF3COOH"	132.026685
"1647237"	1083.49578	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+Na+CF3COOH"	136.98208
"1581794"	1099.46972	"C17792"	"Cycloaraloside F"	"C47H78O19"	"946.5137"	"M+K+CF3COOH"	152.95602
"803411"	868.482	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M"	0
"986787"	849.46361	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-H2O-H"	-19.01839
"75030"	577.980724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M-3H"	-3.021828
"511310"	867.474724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M-3H"	-3.021828
"889111"	288.486724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-3H"	-3.021828
"3311"	867.474724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M-2H"	-2.014552
"445055"	1301.715724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M-2H"	-2.014552
"819943"	433.233724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-2H"	-2.014552
"80666"	1735.956724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M-H"	-1.007276
"522777"	2604.438724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M-H"	-1.007276
"901309"	867.474724	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-H"	-1.007276
"49850"	1752.983271	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M-2H+NH4"	16.019271
"490871"	2621.465271	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M-2H+NH4"	16.019271
"873048"	884.501271	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-2H+NH4"	16.019271
"38763"	1757.938666	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M-2H+Na"	20.974666
"482698"	2626.420666	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M-2H+Na"	20.974666
"857221"	889.456666	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-2H+Na"	20.974666
"1623474"	889.456666	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Na-2H"	20.974666
"98912"	885.463063	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M-H+Cl"	33.962126
"537378"	1319.704063	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M-H+Cl"	33.962126
"936364"	451.222063	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-H+Cl"	33.962126
"269816"	1771.933402	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+Cl"	34.969402
"664062"	2640.415402	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+Cl"	34.969402
"1276465"	903.451402	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Cl"	34.969402
"18293"	1773.912606	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M-2H+K"	36.948606
"456271"	2642.394606	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M-2H+K"	36.948606
"837113"	905.430606	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-2H+K"	36.948606
"1557684"	905.430606	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+K-2H"	36.948606
"944108"	913.480194	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-H+HCOOH"	44.998194
"365603"	1781.962201	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+HCOOH-H"	44.998201
"346570"	1795.977851	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+Hac-H"	59.013851
"1496130"	927.495851	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Hac-H"	59.013851
"965131"	935.462151	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-H+NaCOOH"	66.980151
"118410"	903.451402	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+2Cl"	69.938804
"550922"	1337.692402	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+2Cl"	69.938804
"1024950"	469.210402	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2Cl"	69.938804
"1244164"	947.400885	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Br"	78.918885
"1304193"	949.456872	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Cl+HCOOH"	80.974872
"1324117"	971.438829	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Cl+NaCOOH"	102.956829
"916270"	981.467586	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M-H+CF3COOH"	112.985586
"1297356"	1017.444264	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Cl+CF3COOH"	148.962264
"1372235"	833.469324	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H-2H2O"	-35.012676
"1387179"	851.4793	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H-H2O"	-17.0027
"284190"	1737.971276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+H"	1.007276
"685122"	2606.453276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+H"	1.007276
"1356003"	869.489276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H"	1.007276
"126456"	869.489276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+2H"	2.014552
"567718"	1303.730276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+2H"	2.014552
"1039067"	435.248276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2H"	2.014552
"206121"	579.995276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+3H"	3.021828
"645197"	869.489276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+3H"	3.021828
"1163927"	290.501276	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+3H"	3.021828
"426109"	1754.997823	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+NH4"	18.033823
"786373"	2623.479823	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+NH4"	18.033823
"1681651"	886.515823	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+NH4"	18.033823
"330375"	878.0025495	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+H+NH4"	19.041099
"726323"	1312.2435495	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+H+NH4"	19.041099
"1481236"	443.7615495	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H+NH4"	19.041099
"398825"	1759.953218	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+Na"	22.989218
"759828"	2628.435218	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+Na"	22.989218
"1606832"	891.471218	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Na"	22.989218
"324533"	880.480247	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+H+Na"	23.996494
"721458"	1314.721247	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+H+Na"	23.996494
"1475151"	446.239247	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H+Na"	23.996494
"1067301"	297.82859	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2H+Na"	25.00377
"1271165"	901.515486	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+CH3OH+H"	33.033486
"387554"	1775.927158	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+K"	38.963158
"753857"	2644.409158	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+K"	38.963158
"1552796"	907.445158	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+K"	38.963158
"311061"	888.467217	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+H+K"	39.970434
"700201"	1322.708217	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+H+K"	39.970434
"1447459"	454.226217	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H+K"	39.970434
"240433"	1778.997826	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+ACN+H"	42.033826
"1216421"	910.515826	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+ACN+H"	42.033826
"1200304"	455.761551	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+ACN+2H"	43.041102
"197552"	1781.93516	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+2Na-H"	44.97116
"632736"	2650.41716	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+2Na-H"	44.97116
"1135149"	913.45316	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2Na-H"	44.97116
"176618"	891.471218	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+2Na"	45.978436
"619097"	1325.712218	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+2Na"	45.978436
"1121512"	457.230218	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2Na"	45.978436
"1410505"	305.155904	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H+2Na"	46.985712
"1440443"	915.494746	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H+HCOOH"	47.012746
"227951"	896.50424	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+3H2O+2H"	56.04448
"1518199"	929.54679	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+IsoProp+H"	61.06479
"418978"	899.458188	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+Na+K"	61.952376
"777787"	1333.699188	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+Na+K"	61.952376
"1674117"	465.217188	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Na+K"	61.952376
"255170"	1800.979768	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+ACN+Na"	64.015768
"1229336"	932.497768	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+ACN+Na"	64.015768
"1716767"	932.521293	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+NH4+HCOOH"	64.039293
"1181390"	312.483218	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+3Na"	68.967654
"1654200"	937.476688	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Na+HCOOH"	68.994688
"167624"	1813.88304	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+2K-H"	76.91904
"599529"	2682.36504	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+2K-H"	76.91904
"1088411"	945.40104	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2K-H"	76.91904
"156658"	907.445158	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"2M+2K"	77.926316
"596830"	1341.686158	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"3M+2K"	77.926316
"1080242"	473.204158	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2K"	77.926316
"1104705"	947.415592	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2K+H"	78.933592
"1343277"	947.503207	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+DMSO+H"	79.021207
"1013994"	951.542376	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2ACN+H"	83.060376
"1536494"	952.536008	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+IsoProp+Na+H"	84.054008
"1002942"	476.274826	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+2ACN+2H"	84.067652
"1594165"	953.450628	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+K+HCOOH"	84.968628
"1425294"	983.482138	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+H+CF3COOH"	115.000138
"1155582"	496.788101	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+3ACN+2H"	125.094202
"1704040"	1000.508685	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+NH4+CF3COOH"	132.026685
"1647347"	1005.46408	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+Na+CF3COOH"	136.98208
"1581904"	1021.43802	"C17793"	"Isoastragaloside I"	"C45H72O16"	"868.482"	"M+K+CF3COOH"	152.95602
"805708"	826.4715	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M"	0
"986897"	807.45311	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-H2O-H"	-19.01839
"74774"	549.973724	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M-3H"	-3.021828
"508140"	825.464224	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M-3H"	-3.021828
"883754"	274.483224	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-3H"	-3.021828
"5604"	825.464224	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M-2H"	-2.014552
"444072"	1238.699974	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M-2H"	-2.014552
"822966"	412.228474	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-2H"	-2.014552
"88428"	1651.935724	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M-H"	-1.007276
"522524"	2478.407224	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M-H"	-1.007276
"898504"	825.464224	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-H"	-1.007276
"49596"	1668.962271	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M-2H+NH4"	16.019271
"488795"	2495.433771	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M-2H+NH4"	16.019271
"873158"	842.490771	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-2H+NH4"	16.019271
"41060"	1673.917666	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M-2H+Na"	20.974666
"482808"	2500.389166	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M-2H+Na"	20.974666
"857331"	847.446166	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-2H+Na"	20.974666
"1624677"	847.446166	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Na-2H"	20.974666
"99022"	843.452563	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M-H+Cl"	33.962126
"536030"	1256.688313	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M-H+Cl"	33.962126
"936474"	430.216813	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-H+Cl"	33.962126
"269564"	1687.912402	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+Cl"	34.969402
"664172"	2514.383902	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+Cl"	34.969402
"1276575"	861.440902	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Cl"	34.969402
"18039"	1689.891606	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M-2H+K"	36.948606
"456179"	2516.363106	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M-2H+K"	36.948606
"835158"	863.420106	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-2H+K"	36.948606
"1557794"	863.420106	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+K-2H"	36.948606
"946405"	871.469694	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-H+HCOOH"	44.998194
"366079"	1697.941201	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+HCOOH-H"	44.998201
"346680"	1711.956851	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+Hac-H"	59.013851
"1495512"	885.485351	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Hac-H"	59.013851
"968521"	893.451651	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-H+NaCOOH"	66.980151
"117427"	861.440902	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+2Cl"	69.938804
"551885"	1274.676652	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+2Cl"	69.938804
"1026883"	448.205152	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2Cl"	69.938804
"1247555"	905.390385	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Br"	78.918885
"1304903"	907.446372	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Cl+HCOOH"	80.974872
"1320336"	929.428329	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Cl+NaCOOH"	102.956829
"912005"	939.457086	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M-H+CF3COOH"	112.985586
"1298559"	975.433764	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Cl+CF3COOH"	148.962264
"1372345"	791.458824	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H-2H2O"	-35.012676
"1384372"	809.4688	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H-H2O"	-17.0027
"284179"	1653.950276	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+H"	1.007276
"684139"	2480.421776	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+H"	1.007276
"1357206"	827.478776	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H"	1.007276
"127174"	827.478776	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+2H"	2.014552
"567099"	1240.714526	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+2H"	2.014552
"1038815"	414.243026	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2H"	2.014552
"205381"	551.988276	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+3H"	3.021828
"646279"	827.478776	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+3H"	3.021828
"1164766"	276.497776	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+3H"	3.021828
"425125"	1670.976823	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+NH4"	18.033823
"786484"	2497.448323	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+NH4"	18.033823
"1682451"	844.505323	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+NH4"	18.033823
"331823"	835.9920495	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+H+NH4"	19.041099
"723274"	1249.2277995	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+H+NH4"	19.041099
"1483533"	422.7562995	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H+NH4"	19.041099
"396748"	1675.932218	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+Na"	22.989218
"758841"	2502.403718	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+Na"	22.989218
"1608037"	849.460718	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Na"	22.989218
"327801"	838.469747	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+H+Na"	23.996494
"722054"	1251.705497	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+H+Na"	23.996494
"1475992"	425.233997	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H+Na"	23.996494
"1064131"	283.82509	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2H+Na"	25.00377
"1270182"	859.504986	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+CH3OH+H"	33.033486
"387664"	1691.906158	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+K"	38.963158
"752669"	2518.377658	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+K"	38.963158
"1555090"	865.434658	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+K"	38.963158
"310079"	846.456717	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+H+K"	39.970434
"697031"	1259.692467	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+H+K"	39.970434
"1447570"	433.220967	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H+K"	39.970434
"237264"	1694.976826	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+ACN+H"	42.033826
"1218719"	868.505326	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+ACN+H"	42.033826
"1198590"	434.756301	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+ACN+2H"	43.041102
"194382"	1697.91416	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+2Na-H"	44.97116
"633940"	2524.38566	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+2Na-H"	44.97116
"1136352"	871.44266	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2Na-H"	44.97116
"177457"	849.460718	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+2Na"	45.978436
"614834"	1262.696468	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+2Na"	45.978436
"1121622"	436.224968	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2Na"	45.978436
"1408428"	291.152404	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H+2Na"	46.985712
"1439460"	873.484246	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H+HCOOH"	47.012746
"224780"	854.49374	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+3H2O+2H"	56.04448
"1512841"	887.53629	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+IsoProp+H"	61.06479
"416899"	857.447688	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+Na+K"	61.952376
"776804"	1270.683438	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+Na+K"	61.952376
"1668761"	444.211938	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Na+K"	61.952376
"254184"	1716.958768	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+ACN+Na"	64.015768
"1228352"	890.487268	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+ACN+Na"	64.015768
"1713961"	890.510793	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+NH4+HCOOH"	64.039293
"1186605"	298.479718	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+3Na"	68.967654
"1652123"	895.466188	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Na+HCOOH"	68.994688
"167734"	1729.86204	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+2K-H"	76.91904
"598910"	2556.33354	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+2K-H"	76.91904
"1086696"	903.39054	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2K-H"	76.91904
"151905"	865.434658	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"2M+2K"	77.926316
"591465"	1278.670408	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"3M+2K"	77.926316
"1072697"	452.198908	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2K"	77.926316
"1104815"	905.405092	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2K+H"	78.933592
"1343387"	905.492707	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+DMSO+H"	79.021207
"1014104"	909.531876	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2ACN+H"	83.060376
"1533324"	910.525508	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+IsoProp+Na+H"	84.054008
"1003052"	455.269576	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+2ACN+2H"	84.067652
"1597555"	911.440128	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+K+HCOOH"	84.968628
"1425404"	941.471638	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+H+CF3COOH"	115.000138
"1153504"	475.782851	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+3ACN+2H"	125.094202
"1704150"	958.498185	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+NH4+CF3COOH"	132.026685
"1647457"	963.45358	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+Na+CF3COOH"	136.98208
"1582014"	979.42752	"C17794"	"Isoastragaloside II"	"C43H70O15"	"826.4715"	"M+K+CF3COOH"	152.95602
"802538"	316.1675	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M"	0
"986643"	297.14911	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-H2O-H"	-19.01839
"70875"	209.771057333333	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M-3H"	-3.021828
"513717"	315.160224	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M-3H"	-3.021828
"888237"	104.381890666667	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-3H"	-3.021828
"6810"	315.160224	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M-2H"	-2.014552
"446369"	473.243974	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M-2H"	-2.014552
"823076"	157.076474	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-2H"	-2.014552
"90361"	631.327724	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M-H"	-1.007276
"521541"	947.495224	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M-H"	-1.007276
"899343"	315.160224	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-H"	-1.007276
"55907"	648.354271	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M-2H+NH4"	16.019271
"490000"	964.521771	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M-2H+NH4"	16.019271
"874362"	332.186771	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-2H+NH4"	16.019271
"41171"	653.309666	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M-2H+Na"	20.974666
"480732"	969.477166	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M-2H+Na"	20.974666
"854162"	337.142166	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-2H+Na"	20.974666
"1623694"	337.142166	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Na-2H"	20.974666
"99132"	333.148563	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M-H+Cl"	33.962126
"537599"	491.232313	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M-H+Cl"	33.962126
"938772"	175.064813	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-H+Cl"	33.962126
"272955"	667.304402	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+Cl"	34.969402
"666469"	983.471902	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+Cl"	34.969402
"1279966"	351.136902	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Cl"	34.969402
"20336"	669.283606	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M-2H+K"	36.948606
"458436"	985.451106	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M-2H+K"	36.948606
"835877"	353.116106	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-2H+K"	36.948606
"1558270"	353.116106	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+K-2H"	36.948606
"947974"	361.165694	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-H+HCOOH"	44.998194
"369469"	677.333201	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+HCOOH-H"	44.998201
"348247"	691.348851	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+Hac-H"	59.013851
"1495622"	375.181351	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Hac-H"	59.013851
"966445"	383.147651	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-H+NaCOOH"	66.980151
"116444"	351.136902	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+2Cl"	69.938804
"551995"	509.220652	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+2Cl"	69.938804
"1026993"	193.053152	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2Cl"	69.938804
"1247665"	395.086385	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Br"	78.918885
"1311208"	397.142372	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Cl+HCOOH"	80.974872
"1320322"	419.124329	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Cl+NaCOOH"	102.956829
"912231"	429.153086	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M-H+CF3COOH"	112.985586
"1294294"	465.129764	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Cl+CF3COOH"	148.962264
"1372455"	281.154824	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H-2H2O"	-35.012676
"1386305"	299.1648	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H-H2O"	-17.0027
"286720"	633.342276	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+H"	1.007276
"682056"	949.509776	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+H"	1.007276
"1356223"	317.174776	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H"	1.007276
"127650"	317.174776	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+2H"	2.014552
"568668"	475.258526	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+2H"	2.014552
"1041843"	159.091026	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2H"	2.014552
"206828"	211.785609333333	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+3H"	3.021828
"649307"	317.174776	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+3H"	3.021828
"1167431"	106.396442666667	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+3H"	3.021828
"426331"	650.368823	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+NH4"	18.033823
"790605"	966.536323	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+NH4"	18.033823
"1685843"	334.201323	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+NH4"	18.033823
"338496"	325.6880495	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+H+NH4"	19.041099
"728731"	483.7717995	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+H+NH4"	19.041099
"1484738"	167.6042995	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H+NH4"	19.041099
"394672"	655.324218	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+Na"	22.989218
"760044"	971.491718	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+Na"	22.989218
"1608146"	339.156718	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Na"	22.989218
"326939"	328.165747	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+H+Na"	23.996494
"722732"	486.249497	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+H+Na"	23.996494
"1476923"	170.081997	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H+Na"	23.996494
"1065334"	113.723756666667	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2H+Na"	25.00377
"1267012"	349.200986	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+CH3OH+H"	33.033486
"387774"	671.298158	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+K"	38.963158
"751929"	987.465658	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+K"	38.963158
"1554718"	355.130658	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+K"	38.963158
"310189"	336.152717	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+H+K"	39.970434
"700421"	494.236467	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+H+K"	39.970434
"1450960"	178.068967	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H+K"	39.970434
"241748"	674.368826	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+ACN+H"	42.033826
"1222109"	358.201326	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+ACN+H"	42.033826
"1201617"	179.604301	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+ACN+2H"	43.041102
"194492"	677.30616	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+2Na-H"	44.97116
"635143"	993.47366	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+2Na-H"	44.97116
"1135733"	361.13866	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2Na-H"	44.97116
"177565"	339.156718	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+2Na"	45.978436
"619316"	497.240468	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+2Na"	45.978436
"1121732"	181.072968	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2Na"	45.978436
"1408538"	121.051070666667	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H+2Na"	46.985712
"1441757"	363.180246	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H+HCOOH"	47.012746
"227076"	344.18974	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+3H2O+2H"	56.04448
"1517322"	377.23229	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+IsoProp+H"	61.06479
"421381"	347.143688	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+Na+K"	61.952376
"778007"	505.227438	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+Na+K"	61.952376
"1669965"	189.059938	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Na+K"	61.952376
"256485"	696.350768	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+ACN+Na"	64.015768
"1229554"	380.183268	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+ACN+Na"	64.015768
"1715528"	380.206793	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+NH4+HCOOH"	64.039293
"1183435"	128.378384666667	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+3Na"	68.967654
"1652961"	385.162188	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Na+HCOOH"	68.994688
"159460"	709.25404	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+2K-H"	76.91904
"599018"	1025.42154	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+2K-H"	76.91904
"1086807"	393.08654	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2K-H"	76.91904
"152015"	355.130658	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"2M+2K"	77.926316
"591575"	513.214408	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"3M+2K"	77.926316
"1076087"	197.046908	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2K"	77.926316
"1106018"	395.101092	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2K+H"	78.933592
"1341310"	395.188707	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+DMSO+H"	79.021207
"1010934"	399.227876	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2ACN+H"	83.060376
"1533434"	400.221508	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+IsoProp+Na+H"	84.054008
"1002069"	200.117576	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+2ACN+2H"	84.067652
"1597665"	401.136128	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+K+HCOOH"	84.968628
"1426607"	431.167638	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+H+CF3COOH"	115.000138
"1151428"	220.630851	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+3ACN+2H"	125.094202
"1702073"	448.194185	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+NH4+CF3COOH"	132.026685
"1647567"	453.14958	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+Na+CF3COOH"	136.98208
"1582124"	469.12352	"C17795"	"Capillartemisin B"	"C19H24O4"	"316.1675"	"M+K+CF3COOH"	152.95602
"812489"	140.0626	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M"	0
"981648"	121.04421	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-H2O-H"	-19.01839
"74267"	92.3677906666667	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M-3H"	-3.021828
"503987"	139.055324	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M-3H"	-3.021828
"885066"	45.6802573333333	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-3H"	-3.021828
"843"	139.055324	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M-2H"	-2.014552
"444293"	209.086624	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M-2H"	-2.014552
"820998"	69.024024	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-2H"	-2.014552
"88647"	279.117924	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M-H"	-1.007276
"523837"	419.180524	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M-H"	-1.007276
"900546"	139.055324	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-H"	-1.007276
"52737"	296.144471	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M-2H+NH4"	16.019271
"494484"	436.207071	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M-2H+NH4"	16.019271
"871188"	156.081871	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-2H+NH4"	16.019271
"41284"	301.099866	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M-2H+Na"	20.974666
"476472"	441.162466	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M-2H+Na"	20.974666
"852087"	161.037266	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-2H+Na"	20.974666
"1622714"	161.037266	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Na-2H"	20.974666
"94337"	157.043663	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M-H+Cl"	33.962126
"540992"	227.074963	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M-H+Cl"	33.962126
"938882"	87.012363	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-H+Cl"	33.962126
"273065"	315.094602	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+Cl"	34.969402
"663299"	455.157202	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+Cl"	34.969402
"1280076"	175.032002	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Cl"	34.969402
"15888"	317.073806	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M-2H+K"	36.948606
"457090"	457.136406	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M-2H+K"	36.948606
"835622"	177.011206	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-2H+K"	36.948606
"1555687"	177.011206	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+K-2H"	36.948606
"945896"	185.060794	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-H+HCOOH"	44.998194
"364113"	325.123401	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+HCOOH-H"	44.998201
"350182"	339.139051	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+Hac-H"	59.013851
"1496826"	199.076451	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Hac-H"	59.013851
"966554"	207.042751	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-H+NaCOOH"	66.980151
"118740"	175.032002	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+2Cl"	69.938804
"557209"	245.063302	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+2Cl"	69.938804
"1035487"	105.000702	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2Cl"	69.938804
"1245590"	218.981485	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Br"	78.918885
"1309131"	221.037472	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Cl+HCOOH"	80.974872
"1323717"	243.019429	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Cl+NaCOOH"	102.956829
"911733"	253.048186	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M-H+CF3COOH"	112.985586
"1289256"	289.024864	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Cl+CF3COOH"	148.962264
"1367822"	105.049924	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H-2H2O"	-35.012676
"1383736"	123.0599	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H-H2O"	-17.0027
"284642"	281.132476	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+H"	1.007276
"679248"	421.195076	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+H"	1.007276
"1355240"	141.069876	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H"	1.007276
"129580"	141.069876	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+2H"	2.014552
"567320"	211.101176	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+2H"	2.014552
"1040859"	71.038576	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2H"	2.014552
"208762"	94.3823426666667	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+3H"	3.021828
"648323"	141.069876	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+3H"	3.021828
"1168634"	47.6948093333333	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+3H"	3.021828
"429720"	298.159023	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+NH4"	18.033823
"793996"	438.221623	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+NH4"	18.033823
"1685952"	158.096423	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+NH4"	18.033823
"340792"	149.5831495	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+H+NH4"	19.041099
"731026"	219.6144495	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+H+NH4"	19.041099
"1491408"	79.5518495	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H+NH4"	19.041099
"398065"	303.114418	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+Na"	22.989218
"757598"	443.177018	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+Na"	22.989218
"1608256"	163.051818	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Na"	22.989218
"324863"	152.060847	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+H+Na"	23.996494
"721665"	222.092147	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+H+Na"	23.996494
"1475480"	82.029547	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H+Na"	23.996494
"1065444"	55.0221233333333	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2H+Na"	25.00377
"1268215"	173.096086	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+CH3OH+H"	33.033486
"387884"	319.088358	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+K"	38.963158
"749971"	459.150958	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+K"	38.963158
"1554217"	179.025758	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+K"	38.963158
"311392"	160.047817	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+H+K"	39.970434
"697251"	230.079117	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+H+K"	39.970434
"1449976"	90.016517	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H+K"	39.970434
"245138"	322.159026	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+ACN+H"	42.033826
"1217845"	182.096426	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+ACN+H"	42.033826
"1202821"	91.551851	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+ACN+2H"	43.041102
"197879"	325.09636	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+2Na-H"	44.97116
"636344"	465.15896	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+2Na-H"	44.97116
"1136935"	185.03376	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2Na-H"	44.97116
"178768"	163.051818	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+2Na"	45.978436
"619426"	233.083118	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+2Na"	45.978436
"1121842"	93.020518	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2Na"	45.978436
"1408648"	62.3494373333333	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H+2Na"	46.985712
"1440408"	187.075346	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H+HCOOH"	47.012746
"227186"	168.08484	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+3H2O+2H"	56.04448
"1515246"	201.12739	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+IsoProp+H"	61.06479
"418211"	171.038788	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+Na+K"	61.952376
"778480"	241.070088	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+Na+K"	61.952376
"1672258"	101.007488	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Na+K"	61.952376
"255501"	344.140968	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+ACN+Na"	64.015768
"1232578"	204.078368	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+ACN+Na"	64.015768
"1714906"	204.101893	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+NH4+HCOOH"	64.039293
"1181357"	69.6767513333333	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+3Na"	68.967654
"1653069"	209.057288	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Na+HCOOH"	68.994688
"160293"	357.04424	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+2K-H"	76.91904
"598400"	497.10684	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+2K-H"	76.91904
"1087282"	216.98164	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2K-H"	76.91904
"148844"	179.025758	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"2M+2K"	77.926316
"582571"	249.057058	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"3M+2K"	77.926316
"1076197"	108.994458	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2K"	77.926316
"1106128"	218.996192	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2K+H"	78.933592
"1340325"	219.083807	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+DMSO+H"	79.021207
"1011044"	223.122976	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2ACN+H"	83.060376
"1531356"	224.116608	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+IsoProp+Na+H"	84.054008
"996711"	112.065126	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+2ACN+2H"	84.067652
"1591214"	225.031228	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+K+HCOOH"	84.968628
"1425624"	255.062738	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+H+CF3COOH"	115.000138
"1153724"	132.578401	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+3ACN+2H"	125.094202
"1702183"	272.089285	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+NH4+CF3COOH"	132.026685
"1646584"	277.04468	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+Na+CF3COOH"	136.98208
"1582234"	293.01862	"C17796"	"Norcapillene"	"C11H8"	"140.0626"	"M+K+CF3COOH"	152.95602
"803122"	868.482	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M"	0
"981758"	849.46361	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-H2O-H"	-19.01839
"71095"	577.980724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M-3H"	-3.021828
"507377"	867.474724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M-3H"	-3.021828
"885176"	288.486724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-3H"	-3.021828
"1926"	867.474724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M-2H"	-2.014552
"444403"	1301.715724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M-2H"	-2.014552
"818558"	433.233724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-2H"	-2.014552
"86570"	1735.956724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M-H"	-1.007276
"523946"	2604.438724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M-H"	-1.007276
"898467"	867.474724	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-H"	-1.007276
"51747"	1752.983271	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M-2H+NH4"	16.019271
"494590"	2621.465271	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M-2H+NH4"	16.019271
"871297"	884.501271	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-2H+NH4"	16.019271
"38102"	1757.938666	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M-2H+Na"	20.974666
"477675"	2626.420666	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M-2H+Na"	20.974666
"851104"	889.456666	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-2H+Na"	20.974666
"1622824"	889.456666	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Na-2H"	20.974666
"94854"	885.463063	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M-H+Cl"	33.962126
"540008"	1319.704063	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M-H+Cl"	33.962126
"938992"	451.222063	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-H+Cl"	33.962126
"273175"	1771.933402	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+Cl"	34.969402
"666689"	2640.415402	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+Cl"	34.969402
"1276906"	903.451402	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Cl"	34.969402
"17028"	1773.912606	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M-2H+K"	36.948606
"456957"	2642.394606	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M-2H+K"	36.948606
"835732"	905.430606	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-2H+K"	36.948606
"1559218"	905.430606	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+K-2H"	36.948606
"944913"	913.480194	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-H+HCOOH"	44.998194
"364223"	1781.962201	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+HCOOH-H"	44.998201
"352479"	1795.977851	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+Hac-H"	59.013851
"1500216"	927.495851	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Hac-H"	59.013851
"966664"	935.462151	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-H+NaCOOH"	66.980151
"118850"	903.451402	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+2Cl"	69.938804
"554036"	1337.692402	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+2Cl"	69.938804
"1027213"	469.210402	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2Cl"	69.938804
"1251167"	947.400885	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Br"	78.918885
"1311428"	949.456872	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Cl+HCOOH"	80.974872
"1322734"	971.438829	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Cl+NaCOOH"	102.956829
"914153"	981.467586	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M-H+CF3COOH"	112.985586
"1288715"	1017.444264	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Cl+CF3COOH"	148.962264
"1368664"	833.469324	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H-2H2O"	-35.012676
"1386520"	851.4793	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H-H2O"	-17.0027
"284023"	1737.971276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+H"	1.007276
"680450"	2606.453276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+H"	1.007276
"1354257"	869.489276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H"	1.007276
"127506"	869.489276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+2H"	2.014552
"571078"	1303.730276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+2H"	2.014552
"1040969"	435.248276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2H"	2.014552
"213246"	579.995276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+3H"	3.021828
"646607"	869.489276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+3H"	3.021828
"1167651"	290.501276	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+3H"	3.021828
"428738"	1754.997823	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+NH4"	18.033823
"798481"	2623.479823	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+NH4"	18.033823
"1688250"	886.515823	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+NH4"	18.033823
"337624"	878.0025495	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+H+NH4"	19.041099
"731139"	1312.2435495	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+H+NH4"	19.041099
"1490426"	443.7615495	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H+NH4"	19.041099
"397082"	1759.953218	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+Na"	22.989218
"759166"	2628.435218	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+Na"	22.989218
"1608366"	891.471218	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Na"	22.989218
"326066"	880.480247	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+H+Na"	23.996494
"720676"	1314.721247	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+H+Na"	23.996494
"1474497"	446.239247	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H+Na"	23.996494
"1060085"	297.82859	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2H+Na"	25.00377
"1267232"	901.515486	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+CH3OH+H"	33.033486
"386901"	1775.927158	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+K"	38.963158
"751174"	2644.409158	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+K"	38.963158
"1555050"	907.445158	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+K"	38.963158
"310409"	888.467217	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+H+K"	39.970434
"700641"	1322.708217	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+H+K"	39.970434
"1447170"	454.226217	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H+K"	39.970434
"240873"	1778.997826	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+ACN+H"	42.033826
"1217955"	910.515826	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+ACN+H"	42.033826
"1200014"	455.761551	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+ACN+2H"	43.041102
"194706"	1781.93516	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+2Na-H"	44.97116
"638640"	2650.41716	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+2Na-H"	44.97116
"1139959"	913.45316	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2Na-H"	44.97116
"178879"	891.471218	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+2Na"	45.978436
"619536"	1325.712218	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+2Na"	45.978436
"1125232"	457.230218	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2Na"	45.978436
"1407665"	305.155904	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H+2Na"	46.985712
"1439789"	915.494746	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H+HCOOH"	47.012746
"227296"	896.50424	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+3H2O+2H"	56.04448
"1515356"	929.54679	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+IsoProp+H"	61.06479
"418323"	899.458188	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+Na+K"	61.952376
"777861"	1333.699188	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+Na+K"	61.952376
"1670182"	465.217188	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Na+K"	61.952376
"256704"	1800.979768	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+ACN+Na"	64.015768
"1231596"	932.497768	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+ACN+Na"	64.015768
"1715745"	932.521293	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+NH4+HCOOH"	64.039293
"1180373"	312.483218	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+3Na"	68.967654
"1652817"	937.476688	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Na+HCOOH"	68.994688
"159311"	1813.88304	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+2K-H"	76.91904
"598871"	2682.36504	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+2K-H"	76.91904
"1085814"	945.40104	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2K-H"	76.91904
"145674"	907.445158	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"2M+2K"	77.926316
"583775"	1341.686158	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"3M+2K"	77.926316
"1073027"	473.204158	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2K"	77.926316
"1106238"	947.415592	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2K+H"	78.933592
"1340435"	947.503207	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+DMSO+H"	79.021207
"1014434"	951.542376	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2ACN+H"	83.060376
"1531466"	952.536008	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+IsoProp+Na+H"	84.054008
"996821"	476.274826	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+2ACN+2H"	84.067652
"1594604"	953.450628	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+K+HCOOH"	84.968628
"1424640"	983.482138	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+H+CF3COOH"	115.000138
"1150554"	496.788101	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+3ACN+2H"	125.094202
"1702293"	1000.508685	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+NH4+CF3COOH"	132.026685
"1646694"	1005.46408	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+Na+CF3COOH"	136.98208
"1582344"	1021.43802	"C17797"	"Astragaloside I"	"C45H72O16"	"868.482"	"M+K+CF3COOH"	152.95602
"806148"	826.4715	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M"	0
"981868"	807.45311	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-H2O-H"	-19.01839
"72298"	549.973724	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M-3H"	-3.021828
"506394"	825.464224	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M-3H"	-3.021828
"885286"	274.483224	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-3H"	-3.021828
"697"	825.464224	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M-2H"	-2.014552
"446700"	1238.699974	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M-2H"	-2.014552
"817211"	412.228474	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-2H"	-2.014552
"86680"	1651.935724	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M-H"	-1.007276
"526243"	2478.407224	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M-H"	-1.007276
"901857"	825.464224	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-H"	-1.007276
"52950"	1668.962271	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M-2H+NH4"	16.019271
"496886"	2495.433771	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M-2H+NH4"	16.019271
"871408"	842.490771	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-2H+NH4"	16.019271
"37484"	1673.917666	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M-2H+Na"	20.974666
"476691"	2500.389166	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M-2H+Na"	20.974666
"851213"	847.446166	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-2H+Na"	20.974666
"1622934"	847.446166	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Na-2H"	20.974666
"95088"	843.452563	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M-H+Cl"	33.962126
"540118"	1256.688313	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M-H+Cl"	33.962126
"929262"	430.216813	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-H+Cl"	33.962126
"270005"	1687.912402	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+Cl"	34.969402
"663519"	2514.383902	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+Cl"	34.969402
"1274100"	861.440902	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Cl"	34.969402
"16287"	1689.891606	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M-2H+K"	36.948606
"456333"	2516.363106	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M-2H+K"	36.948606
"839119"	863.420106	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-2H+K"	36.948606
"1557140"	863.420106	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+K-2H"	36.948606
"947207"	871.469694	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-H+HCOOH"	44.998194
"370890"	1697.941201	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+HCOOH-H"	44.998201
"351493"	1711.956851	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+Hac-H"	59.013851
"1498138"	885.485351	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Hac-H"	59.013851
"968961"	893.451651	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-H+NaCOOH"	66.980151
"113493"	861.440902	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+2Cl"	69.938804
"550742"	1274.676652	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+2Cl"	69.938804
"1027323"	448.205152	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2Cl"	69.938804
"1247997"	905.390385	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Br"	78.918885
"1310444"	907.446372	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Cl+HCOOH"	80.974872
"1323573"	929.428329	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Cl+NaCOOH"	102.956829
"915357"	939.457086	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M-H+CF3COOH"	112.985586
"1289152"	975.433764	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Cl+CF3COOH"	148.962264
"1369503"	791.458824	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H-2H2O"	-35.012676
"1386997"	809.4688	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H-H2O"	-17.0027
"285588"	1653.950276	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+H"	1.007276
"681292"	2480.421776	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+H"	1.007276
"1364202"	827.478776	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H"	1.007276
"134903"	827.478776	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+2H"	2.014552
"575557"	1240.714526	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+2H"	2.014552
"1045450"	414.243026	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2H"	2.014552
"210076"	551.988276	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+3H"	3.021828
"646717"	827.478776	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+3H"	3.021828
"1164481"	276.497776	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+3H"	3.021828
"433222"	1670.976823	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+NH4"	18.033823
"793124"	2497.448323	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+NH4"	18.033823
"1688359"	844.505323	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+NH4"	18.033823
"338825"	835.9920495	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+H+NH4"	19.041099
"733434"	1249.2277995	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+H+NH4"	19.041099
"1486161"	422.7562995	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H+NH4"	19.041099
"398280"	1675.932218	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+Na"	22.989218
"754904"	2502.403718	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+Na"	22.989218
"1606287"	849.460718	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Na"	22.989218
"322896"	838.469747	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+H+Na"	23.996494
"719693"	1251.705497	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+H+Na"	23.996494
"1474607"	425.233997	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H+Na"	23.996494
"1062381"	283.82509	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2H+Na"	25.00377
"1266249"	859.504986	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+CH3OH+H"	33.033486
"391383"	1691.906158	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+K"	38.963158
"745815"	2518.377658	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+K"	38.963158
"1550055"	865.434658	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+K"	38.963158
"310516"	846.456717	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+H+K"	39.970434
"698564"	1259.692467	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+H+K"	39.970434
"1449103"	433.220967	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H+K"	39.970434
"242077"	1694.976826	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+ACN+H"	42.033826
"1216973"	868.505326	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+ACN+H"	42.033826
"1198667"	434.756301	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+ACN+2H"	43.041102
"193723"	1697.91416	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+2Na-H"	44.97116
"640572"	2524.38566	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+2Na-H"	44.97116
"1141162"	871.44266	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2Na-H"	44.97116
"177891"	849.460718	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+2Na"	45.978436
"615143"	1262.696468	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+2Na"	45.978436
"1120967"	436.224968	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2Na"	45.978436
"1404494"	291.152404	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H+2Na"	46.985712
"1438804"	873.484246	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H+HCOOH"	47.012746
"230685"	854.49374	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+3H2O+2H"	56.04448
"1515466"	887.53629	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+IsoProp+H"	61.06479
"419525"	857.447688	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+Na+K"	61.952376
"779429"	1270.683438	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+Na+K"	61.952376
"1671384"	444.211938	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Na+K"	61.952376
"257907"	1716.958768	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+ACN+Na"	64.015768
"1232434"	890.487268	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+ACN+Na"	64.015768
"1718406"	890.510793	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+NH4+HCOOH"	64.039293
"1182303"	298.479718	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+3Na"	68.967654
"1654019"	895.466188	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Na+HCOOH"	68.994688
"159543"	1729.86204	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+2K-H"	76.91904
"600077"	2556.33354	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+2K-H"	76.91904
"1087871"	903.39054	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2K-H"	76.91904
"145784"	865.434658	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"2M+2K"	77.926316
"585344"	1278.670408	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"3M+2K"	77.926316
"1073136"	452.198908	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2K"	77.926316
"1102337"	905.405092	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2K+H"	78.933592
"1342732"	905.492707	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+DMSO+H"	79.021207
"1010169"	909.531876	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2ACN+H"	83.060376
"1527202"	910.525508	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+IsoProp+Na+H"	84.054008
"994744"	455.269576	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+2ACN+2H"	84.067652
"1594714"	911.440128	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+K+HCOOH"	84.968628
"1423657"	941.471638	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+H+CF3COOH"	115.000138
"1153944"	475.782851	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+3ACN+2H"	125.094202
"1702403"	958.498185	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+NH4+CF3COOH"	132.026685
"1646804"	963.45358	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+Na+CF3COOH"	136.98208
"1582454"	979.42752	"C17798"	"Astragaloside II"	"C43H70O15"	"826.4715"	"M+K+CF3COOH"	152.95602
"804071"	784.4609	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M"	0
"981978"	765.44251	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-H2O-H"	-19.01839
"72408"	521.966657333333	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M-3H"	-3.021828
"506504"	783.453624	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M-3H"	-3.021828
"886490"	260.479690666667	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-3H"	-3.021828
"5066"	783.453624	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M-2H"	-2.014552
"445718"	1175.684074	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M-2H"	-2.014552
"819146"	391.223174	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-2H"	-2.014552
"84604"	1567.914524	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M-H"	-1.007276
"529631"	2352.375424	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M-H"	-1.007276
"901967"	783.453624	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-H"	-1.007276
"54154"	1584.941071	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M-2H+NH4"	16.019271
"493717"	2369.401971	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M-2H+NH4"	16.019271
"871517"	800.480171	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-2H+NH4"	16.019271
"37232"	1589.896466	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M-2H+Na"	20.974666
"473521"	2374.357366	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M-2H+Na"	20.974666
"851323"	805.435566	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-2H+Na"	20.974666
"1623044"	805.435566	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Na-2H"	20.974666
"99574"	801.441963	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M-H+Cl"	33.962126
"544603"	1193.672413	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M-H+Cl"	33.962126
"929736"	409.211513	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-H+Cl"	33.962126
"273396"	1603.891202	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+Cl"	34.969402
"663994"	2388.352102	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+Cl"	34.969402
"1274453"	819.430302	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Cl"	34.969402
"16073"	1605.870406	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M-2H+K"	36.948606
"456440"	2390.331306	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M-2H+K"	36.948606
"839229"	821.409506	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-2H+K"	36.948606
"1560529"	821.409506	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+K-2H"	36.948606
"946226"	829.459094	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-H+HCOOH"	44.998194
"371001"	1613.920001	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+HCOOH-H"	44.998201
"352698"	1627.935651	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+Hac-H"	59.013851
"1499344"	843.474751	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Hac-H"	59.013851
"970895"	851.441051	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-H+NaCOOH"	66.980151
"114699"	819.430302	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+2Cl"	69.938804
"552070"	1211.660752	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+2Cl"	69.938804
"1030713"	427.199852	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2Cl"	69.938804
"1248107"	863.379785	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Br"	78.918885
"1311649"	865.435772	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Cl+HCOOH"	80.974872
"1331338"	887.417729	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Cl+NaCOOH"	102.956829
"918021"	897.446486	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M-H+CF3COOH"	112.985586
"1293640"	933.423164	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Cl+CF3COOH"	148.962264
"1380185"	749.448224	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H-2H2O"	-35.012676
"1390389"	767.4582	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H-H2O"	-17.0027
"294815"	1569.929076	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+H"	1.007276
"681403"	2354.389976	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+H"	1.007276
"1365409"	785.468176	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H"	1.007276
"132827"	785.468176	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+2H"	2.014552
"574574"	1177.698626	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+2H"	2.014552
"1047747"	393.237726	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2H"	2.014552
"210186"	523.981209333333	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+3H"	3.021828
"648652"	785.468176	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+3H"	3.021828
"1164592"	262.494242666667	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+3H"	3.021828
"435155"	1586.955623	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+NH4"	18.033823
"795422"	2371.416523	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+NH4"	18.033823
"1688472"	802.494723	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+NH4"	18.033823
"340760"	793.9814495	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+H+NH4"	19.041099
"733182"	1186.2118995	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+H+NH4"	19.041099
"1490284"	401.7509995	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H+NH4"	19.041099
"396569"	1591.911018	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+Na"	22.989218
"758296"	2376.371918	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+Na"	22.989218
"1602802"	807.450118	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Na"	22.989218
"324099"	796.459147	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+H+Na"	23.996494
"722235"	1188.689597	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+H+Na"	23.996494
"1474717"	404.228697	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H+Na"	23.996494
"1062491"	269.821556666667	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2H+Na"	25.00377
"1269638"	817.494386	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+CH3OH+H"	33.033486
"391128"	1607.884958	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+K"	38.963158
"744832"	2392.345858	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+K"	38.963158
"1545791"	823.424058	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+K"	38.963158
"307346"	804.446117	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+H+K"	39.970434
"696487"	1196.676567	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+H+K"	39.970434
"1447025"	412.215667	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H+K"	39.970434
"239999"	1610.955626	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+ACN+H"	42.033826
"1215990"	826.494726	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+ACN+H"	42.033826
"1202057"	413.751001	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+ACN+2H"	43.041102
"198208"	1613.89296	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+2Na-H"	44.97116
"635580"	2398.35386	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+2Na-H"	44.97116
"1140179"	829.43206	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2Na-H"	44.97116
"178002"	807.450118	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+2Na"	45.978436
"617927"	1199.680568	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+2Na"	45.978436
"1119983"	415.219668	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2Na"	45.978436
"1405697"	277.148870666667	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H+2Na"	46.985712
"1443286"	831.473646	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H+HCOOH"	47.012746
"230795"	812.48314	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+3H2O+2H"	56.04448
"1515576"	845.52569	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+IsoProp+H"	61.06479
"418542"	815.437088	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+Na+K"	61.952376
"778445"	1207.667538	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+Na+K"	61.952376
"1670400"	423.206638	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Na+K"	61.952376
"258017"	1632.937568	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+ACN+Na"	64.015768
"1229265"	848.476668	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+ACN+Na"	64.015768
"1716330"	848.500193	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+NH4+HCOOH"	64.039293
"1182778"	284.476184666667	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+3Na"	68.967654
"1654857"	853.455588	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Na+HCOOH"	68.994688
"160627"	1645.84084	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+2K-H"	76.91904
"601282"	2430.30174	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+2K-H"	76.91904
"1089075"	861.37994	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2K-H"	76.91904
"144800"	823.424058	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"2M+2K"	77.926316
"587640"	1215.654508	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"3M+2K"	77.926316
"1075434"	431.193608	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2K"	77.926316
"1101352"	863.394492	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2K+H"	78.933592
"1339561"	863.482107	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+DMSO+H"	79.021207
"1010278"	867.521276	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2ACN+H"	83.060376
"1525124"	868.514908	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+IsoProp+Na+H"	84.054008
"992666"	434.264276	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+2ACN+2H"	84.067652
"1592635"	869.429528	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+K+HCOOH"	84.968628
"1416476"	899.461038	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+H+CF3COOH"	115.000138
"1147975"	454.777551	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+3ACN+2H"	125.094202
"1702513"	916.487585	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+NH4+CF3COOH"	132.026685
"1634392"	921.44298	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+Na+CF3COOH"	136.98208
"1582564"	937.41692	"C17799"	"Astragaloside IV"	"C41H68O14"	"784.4609"	"M+K+CF3COOH"	152.95602
"803088"	946.5137	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M"	0
"982088"	927.49531	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-H2O-H"	-19.01839
"74705"	630.001857333333	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M-3H"	-3.021828
"509895"	945.506424	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M-3H"	-3.021828
"884415"	314.497290666667	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-3H"	-3.021828
"1168"	945.506424	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M-2H"	-2.014552
"443642"	1418.763274	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M-2H"	-2.014552
"820349"	472.249574	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-2H"	-2.014552
"83621"	1892.020124	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M-H"	-1.007276
"524274"	2838.533824	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M-H"	-1.007276
"898797"	945.506424	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-H"	-1.007276
"50984"	1909.046671	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M-2H+NH4"	16.019271
"489818"	2855.560371	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M-2H+NH4"	16.019271
"868349"	962.532971	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-2H+NH4"	16.019271
"34063"	1914.002066	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M-2H+Na"	20.974666
"473632"	2860.515766	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M-2H+Na"	20.974666
"856900"	967.488366	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-2H+Na"	20.974666
"1622061"	967.488366	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Na-2H"	20.974666
"101871"	963.494763	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M-H+Cl"	33.962126
"542527"	1436.751613	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M-H+Cl"	33.962126
"929846"	490.237913	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-H+Cl"	33.962126
"270225"	1927.996802	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+Cl"	34.969402
"667020"	2874.510502	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+Cl"	34.969402
"1276144"	981.483102	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Cl"	34.969402
"15737"	1929.976006	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M-2H+K"	36.948606
"455944"	2876.489706	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M-2H+K"	36.948606
"834236"	983.462306	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-2H+K"	36.948606
"1566106"	983.462306	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+K-2H"	36.948606
"947428"	991.511894	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-H+HCOOH"	44.998194
"367830"	1938.025601	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+HCOOH-H"	44.998201
"352808"	1952.041251	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+Hac-H"	59.013851
"1497631"	1005.527551	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Hac-H"	59.013851
"971005"	1013.493851	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-H+NaCOOH"	66.980151
"114809"	981.483102	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+2Cl"	69.938804
"555461"	1454.739952	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+2Cl"	69.938804
"1029730"	508.226252	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2Cl"	69.938804
"1242871"	1025.432585	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Br"	78.918885
"1306292"	1027.488572	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Cl+HCOOH"	80.974872
"1331448"	1049.470529	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Cl+NaCOOH"	102.956829
"917038"	1059.499286	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M-H+CF3COOH"	112.985586
"1293750"	1095.475964	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Cl+CF3COOH"	148.962264
"1381024"	911.501024	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H-2H2O"	-35.012676
"1390499"	929.511	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H-H2O"	-17.0027
"291278"	1894.034676	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+H"	1.007276
"682607"	2840.548376	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+H"	1.007276
"1364788"	947.520976	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H"	1.007276
"131844"	947.520976	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+2H"	2.014552
"572497"	1420.777826	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+2H"	2.014552
"1046764"	474.264126	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2H"	2.014552
"213212"	632.016409333333	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+3H"	3.021828
"648762"	947.520976	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+3H"	3.021828
"1165795"	316.511842666667	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+3H"	3.021828
"435630"	1911.061223	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+NH4"	18.033823
"795532"	2857.574923	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+NH4"	18.033823
"1691862"	964.547523	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+NH4"	18.033823
"341965"	956.0342495	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+H+NH4"	19.041099
"736575"	1429.2910995	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+H+NH4"	19.041099
"1491853"	482.7773995	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H+NH4"	19.041099
"399595"	1916.016618	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+Na"	22.989218
"758407"	2862.530318	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+Na"	22.989218
"1603346"	969.502918	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Na"	22.989218
"324209"	958.511947	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+H+Na"	23.996494
"712254"	1431.768797	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+H+Na"	23.996494
"1468261"	485.255097	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H+Na"	23.996494
"1062601"	323.839156666667	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2H+Na"	25.00377
"1266468"	979.547186	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+CH3OH+H"	33.033486
"389415"	1931.990558	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+K"	38.963158
"746035"	2878.504258	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+K"	38.963158
"1545900"	985.476858	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+K"	38.963158
"306362"	966.498917	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+H+K"	39.970434
"696597"	1439.755767	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+H+K"	39.970434
"1446041"	493.242067	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H+K"	39.970434
"239377"	1935.061226	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+ACN+H"	42.033826
"1213912"	988.547526	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+ACN+H"	42.033826
"1201073"	494.777401	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+ACN+2H"	43.041102
"197225"	1937.99856	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+2Na-H"	44.97116
"635690"	2884.51226	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+2Na-H"	44.97116
"1139196"	991.48486	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2Na-H"	44.97116
"175924"	969.502918	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+2Na"	45.978436
"613906"	1442.759768	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+2Na"	45.978436
"1119002"	496.246068	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2Na"	45.978436
"1405441"	331.166470666667	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H+2Na"	46.985712
"1437925"	993.526446	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H+HCOOH"	47.012746
"229811"	974.53594	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+3H2O+2H"	56.04448
"1515686"	1007.57849	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+IsoProp+H"	61.06479
"418652"	977.489888	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+Na+K"	61.952376
"778555"	1450.746738	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+Na+K"	61.952376
"1671603"	504.233038	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Na+K"	61.952376
"255940"	1957.043168	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+ACN+Na"	64.015768
"1227552"	1010.529468	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+ACN+Na"	64.015768
"1715347"	1010.552993	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+NH4+HCOOH"	64.039293
"1181794"	338.493784666667	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+3Na"	68.967654
"1656060"	1015.508388	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Na+HCOOH"	68.994688
"160006"	1969.94644	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+2K-H"	76.91904
"598473"	2916.46014	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+2K-H"	76.91904
"1085903"	1023.43274	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2K-H"	76.91904
"142722"	985.476858	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"2M+2K"	77.926316
"583376"	1458.733708	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"3M+2K"	77.926316
"1070074"	512.220008	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2K"	77.926316
"1100126"	1025.447292	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2K+H"	78.933592
"1338578"	1025.534907	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+DMSO+H"	79.021207
"1008200"	1029.574076	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2ACN+H"	83.060376
"1525598"	1030.567708	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+IsoProp+Na+H"	84.054008
"992775"	515.290676	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+2ACN+2H"	84.067652
"1590559"	1031.482328	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+K+HCOOH"	84.968628
"1415129"	1061.513838	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+H+CF3COOH"	115.000138
"1148324"	535.803951	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+3ACN+2H"	125.094202
"1699343"	1078.540385	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+NH4+CF3COOH"	132.026685
"1634201"	1083.49578	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+Na+CF3COOH"	136.98208
"1582674"	1099.46972	"C17800"	"Astragaloside V"	"C47H78O19"	"946.5137"	"M+K+CF3COOH"	152.95602
"813039"	946.5137	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M"	0
"982198"	927.49531	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-H2O-H"	-19.01839
"74815"	630.001857333333	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M-3H"	-3.021828
"511100"	945.506424	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M-3H"	-3.021828
"888898"	314.497290666667	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-3H"	-3.021828
"8568"	945.506424	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M-2H"	-2.014552
"444845"	1418.763274	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M-2H"	-2.014552
"821552"	472.249574	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-2H"	-2.014552
"84824"	1892.020124	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M-H"	-1.007276
"524384"	2838.533824	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M-H"	-1.007276
"897451"	945.506424	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-H"	-1.007276
"53281"	1909.046671	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M-2H+NH4"	16.019271
"492841"	2855.560371	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M-2H+NH4"	16.019271
"869549"	962.532971	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-2H+NH4"	16.019271
"34171"	1914.002066	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M-2H+Na"	20.974666
"482488"	2860.515766	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M-2H+Na"	20.974666
"859198"	967.488366	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-2H+Na"	20.974666
"1622171"	967.488366	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Na-2H"	20.974666
"105261"	963.494763	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M-H+Cl"	33.962126
"545917"	1436.751613	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M-H+Cl"	33.962126
"932872"	490.237913	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-H+Cl"	33.962126
"273615"	1927.996802	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+Cl"	34.969402
"667130"	2874.510502	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+Cl"	34.969402
"1281721"	981.483102	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Cl"	34.969402
"20996"	1929.976006	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M-2H+K"	36.948606
"458732"	2876.489706	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M-2H+K"	36.948606
"835076"	983.462306	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-2H+K"	36.948606
"1561843"	983.462306	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+K-2H"	36.948606
"948631"	991.511894	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-H+HCOOH"	44.998194
"370129"	1938.025601	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+HCOOH-H"	44.998201
"351095"	1952.041251	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+Hac-H"	59.013851
"1499926"	1005.527551	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Hac-H"	59.013851
"971479"	1013.493851	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-H+NaCOOH"	66.980151
"114919"	981.483102	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+2Cl"	69.938804
"555571"	1454.739952	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+2Cl"	69.938804
"1030933"	508.226252	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2Cl"	69.938804
"1243223"	1025.432585	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Br"	78.918885
"1305307"	1027.488572	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Cl+HCOOH"	80.974872
"1331558"	1049.470529	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Cl+NaCOOH"	102.956829
"915688"	1059.499286	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M-H+CF3COOH"	112.985586
"1298234"	1095.475964	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Cl+CF3COOH"	148.962264
"1381134"	911.501024	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H-2H2O"	-35.012676
"1396442"	929.511	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H-H2O"	-17.0027
"291388"	1894.034676	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+H"	1.007276
"687821"	2840.548376	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+H"	1.007276
"1363440"	947.520976	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H"	1.007276
"137422"	947.520976	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+2H"	2.014552
"574794"	1420.777826	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+2H"	2.014552
"1046874"	474.264126	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2H"	2.014552
"215145"	632.016409333333	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+3H"	3.021828
"649966"	947.520976	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+3H"	3.021828
"1169185"	316.511842666667	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+3H"	3.021828
"435741"	1911.061223	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+NH4"	18.033823
"796372"	2857.574923	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+NH4"	18.033823
"1691973"	964.547523	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+NH4"	18.033823
"343168"	956.0342495	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+H+NH4"	19.041099
"738309"	1429.2910995	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+H+NH4"	19.041099
"1490503"	482.7773995	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H+NH4"	19.041099
"399708"	1916.016618	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+Na"	22.989218
"757423"	2862.530318	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+Na"	22.989218
"1603944"	969.502918	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Na"	22.989218
"324319"	958.511947	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+H+Na"	23.996494
"712364"	1431.768797	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+H+Na"	23.996494
"1469464"	485.255097	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H+Na"	23.996494
"1065627"	323.839156666667	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2H+Na"	25.00377
"1266579"	979.547186	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+CH3OH+H"	33.033486
"387338"	1931.990558	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+K"	38.963158
"746145"	2878.504258	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+K"	38.963158
"1540906"	985.476858	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+K"	38.963158
"310118"	966.498917	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+H+K"	39.970434
"702172"	1439.755767	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+H+K"	39.970434
"1447245"	493.242067	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H+K"	39.970434
"236940"	1935.061226	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+ACN+H"	42.033826
"1211836"	988.547526	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+ACN+H"	42.033826
"1198999"	494.777401	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+ACN+2H"	43.041102
"195148"	1937.99856	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+2Na-H"	44.97116
"634707"	2884.51226	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+2Na-H"	44.97116
"1137120"	991.48486	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2Na-H"	44.97116
"174940"	969.502918	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+2Na"	45.978436
"613893"	1442.759768	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+2Na"	45.978436
"1121295"	496.246068	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2Na"	45.978436
"1400446"	331.166470666667	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H+2Na"	46.985712
"1438037"	993.526446	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H+HCOOH"	47.012746
"228829"	974.53594	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+3H2O+2H"	56.04448
"1516890"	1007.57849	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+IsoProp+H"	61.06479
"417670"	977.489888	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+Na+K"	61.952376
"777572"	1450.746738	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+Na+K"	61.952376
"1671715"	504.233038	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Na+K"	61.952376
"261517"	1957.043168	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+ACN+Na"	64.015768
"1232037"	1010.529468	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+ACN+Na"	64.015768
"1717641"	1010.552993	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+NH4+HCOOH"	64.039293
"1182270"	338.493784666667	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+3Na"	68.967654
"1656170"	1015.508388	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Na+HCOOH"	68.994688
"159388"	1969.94644	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+2K-H"	76.91904
"600407"	2916.46014	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+2K-H"	76.91904
"1089295"	1023.43274	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2K-H"	76.91904
"146114"	985.476858	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"2M+2K"	77.926316
"588953"	1458.733708	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"3M+2K"	77.926316
"1073467"	512.220008	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2K"	77.926316
"1108865"	1025.447292	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2K+H"	78.933592
"1346343"	1025.534907	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+DMSO+H"	79.021207
"1009405"	1029.574076	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2ACN+H"	83.060376
"1527533"	1030.567708	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+IsoProp+Na+H"	84.054008
"995073"	515.290676	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+2ACN+2H"	84.067652
"1588484"	1031.482328	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+K+HCOOH"	84.968628
"1414351"	1061.513838	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+H+CF3COOH"	115.000138
"1147461"	535.803951	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+3ACN+2H"	125.094202
"1697065"	1078.540385	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+NH4+CF3COOH"	132.026685
"1634159"	1083.49578	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+Na+CF3COOH"	136.98208
"1582784"	1099.46972	"C17801"	"Astragaloside VI"	"C47H78O19"	"946.5137"	"M+K+CF3COOH"	152.95602
"804401"	946.5137	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M"	0
"981213"	927.49531	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-H2O-H"	-19.01839
"74925"	630.001857333333	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M-3H"	-3.021828
"513391"	945.506424	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M-3H"	-3.021828
"887914"	314.497290666667	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-3H"	-3.021828
"6488"	945.506424	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M-2H"	-2.014552
"447144"	1418.763274	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M-2H"	-2.014552
"820569"	472.249574	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-2H"	-2.014552
"86028"	1892.020124	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M-H"	-1.007276
"526681"	2838.533824	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M-H"	-1.007276
"899380"	945.506424	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-H"	-1.007276
"52298"	1909.046671	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M-2H+NH4"	16.019271
"495138"	2855.560371	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M-2H+NH4"	16.019271
"869659"	962.532971	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-2H+NH4"	16.019271
"36467"	1914.002066	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M-2H+Na"	20.974666
"483691"	2860.515766	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M-2H+Na"	20.974666
"861494"	967.488366	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-2H+Na"	20.974666
"1625561"	967.488366	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Na-2H"	20.974666
"105371"	963.494763	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M-H+Cl"	33.962126
"544933"	1436.751613	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M-H+Cl"	33.962126
"929701"	490.237913	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-H+Cl"	33.962126
"270443"	1927.996802	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+Cl"	34.969402
"662865"	2874.510502	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+Cl"	34.969402
"1278547"	981.483102	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Cl"	34.969402
"21106"	1929.976006	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M-2H+K"	36.948606
"456653"	2876.489706	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M-2H+K"	36.948606
"834456"	983.462306	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-2H+K"	36.948606
"1560860"	983.462306	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+K-2H"	36.948606
"946555"	991.511894	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-H+HCOOH"	44.998194
"368052"	1938.025601	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+HCOOH-H"	44.998201
"351569"	1952.041251	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+Hac-H"	59.013851
"1496026"	1005.527551	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Hac-H"	59.013851
"964298"	1013.493851	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-H+NaCOOH"	66.980151
"116122"	981.483102	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+2Cl"	69.938804
"556774"	1454.739952	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+2Cl"	69.938804
"1029950"	508.226252	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2Cl"	69.938804
"1245520"	1025.432585	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Br"	78.918885
"1307240"	1027.488572	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Cl+HCOOH"	80.974872
"1328388"	1049.470529	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Cl+NaCOOH"	102.956829
"915434"	1059.499286	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M-H+CF3COOH"	112.985586
"1301625"	1095.475964	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Cl+CF3COOH"	148.962264
"1381244"	911.501024	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H-2H2O"	-35.012676
"1396188"	929.511	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H-H2O"	-17.0027
"291498"	1894.034676	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+H"	1.007276
"687567"	2840.548376	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+H"	1.007276
"1360634"	947.520976	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H"	1.007276
"136437"	947.520976	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+2H"	2.014552
"569437"	1420.777826	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+2H"	2.014552
"1046984"	474.264126	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2H"	2.014552
"215619"	632.016409333333	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+3H"	3.021828
"650076"	947.520976	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+3H"	3.021828
"1164919"	316.511842666667	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+3H"	3.021828
"436580"	1911.061223	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+NH4"	18.033823
"795753"	2857.574923	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+NH4"	18.033823
"1692083"	964.547523	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+NH4"	18.033823
"343644"	956.0342495	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+H+NH4"	19.041099
"738407"	1429.2910995	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+H+NH4"	19.041099
"1490977"	482.7773995	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H+NH4"	19.041099
"402005"	1916.016618	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+Na"	22.989218
"757533"	2862.530318	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+Na"	22.989218
"1603812"	969.502918	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Na"	22.989218
"324429"	958.511947	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+H+Na"	23.996494
"712474"	1431.768797	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+H+Na"	23.996494
"1469574"	485.255097	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H+Na"	23.996494
"1064643"	323.839156666667	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2H+Na"	25.00377
"1268874"	979.547186	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+CH3OH+H"	33.033486
"387448"	1931.990558	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+K"	38.963158
"745162"	2878.504258	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+K"	38.963158
"1541745"	985.476858	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+K"	38.963158
"312050"	966.498917	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+H+K"	39.970434
"699002"	1439.755767	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+H+K"	39.970434
"1450637"	493.242067	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H+K"	39.970434
"239238"	1935.061226	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+ACN+H"	42.033826
"1213038"	988.547526	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+ACN+H"	42.033826
"1201295"	494.777401	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+ACN+2H"	43.041102
"197444"	1937.99856	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+2Na-H"	44.97116
"635910"	2884.51226	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+2Na-H"	44.97116
"1136136"	991.48486	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2Na-H"	44.97116
"175777"	969.502918	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+2Na"	45.978436
"614005"	1442.759768	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+2Na"	45.978436
"1118118"	496.246068	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2Na"	45.978436
"1402742"	331.166470666667	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H+2Na"	46.985712
"1438147"	993.526446	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H+HCOOH"	47.012746
"227846"	974.53594	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+3H2O+2H"	56.04448
"1517000"	1007.57849	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+IsoProp+H"	61.06479
"415594"	977.489888	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+Na+K"	61.952376
"779505"	1450.746738	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+Na+K"	61.952376
"1669639"	504.233038	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Na+K"	61.952376
"262721"	1957.043168	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+ACN+Na"	64.015768
"1232148"	1010.529468	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+ACN+Na"	64.015768
"1716658"	1010.552993	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+NH4+HCOOH"	64.039293
"1182016"	338.493784666667	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+3Na"	68.967654
"1656280"	1015.508388	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Na+HCOOH"	68.994688
"158769"	1969.94644	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+2K-H"	76.91904
"600517"	2916.46014	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+2K-H"	76.91904
"1088311"	1023.43274	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2K-H"	76.91904
"146224"	985.476858	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"2M+2K"	77.926316
"587970"	1458.733708	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"3M+2K"	77.926316
"1073577"	512.220008	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2K"	77.926316
"1106788"	1025.447292	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2K+H"	78.933592
"1345360"	1025.534907	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+DMSO+H"	79.021207
"1009515"	1029.574076	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2ACN+H"	83.060376
"1529830"	1030.567708	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+IsoProp+Na+H"	84.054008
"995184"	515.290676	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+2ACN+2H"	84.067652
"1592968"	1031.482328	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+K+HCOOH"	84.968628
"1414240"	1061.513838	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+H+CF3COOH"	115.000138
"1147329"	535.803951	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+3ACN+2H"	125.094202
"1697367"	1078.540385	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+NH4+CF3COOH"	132.026685
"1635213"	1083.49578	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+Na+CF3COOH"	136.98208
"1582894"	1099.46972	"C17802"	"Astragaloside VII"	"C47H78O19"	"946.5137"	"M+K+CF3COOH"	152.95602
"803418"	202.1205	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M"	0
"982416"	183.10211	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-H2O-H"	-19.01839
"75035"	133.739724	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M-3H"	-3.021828
"512407"	201.113224	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M-3H"	-3.021828
"889118"	66.366224	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-3H"	-3.021828
"8786"	201.113224	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M-2H"	-2.014552
"448346"	302.173474	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M-2H"	-2.014552
"826146"	100.052974	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-2H"	-2.014552
"88325"	403.233724	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M-H"	-1.007276
"528978"	605.354224	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M-H"	-1.007276
"905687"	201.113224	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-H"	-1.007276
"52408"	420.260271	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M-2H+NH4"	16.019271
"495248"	622.380771	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M-2H+NH4"	16.019271
"869768"	218.139771	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-2H+NH4"	16.019271
"39857"	425.215666	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M-2H+Na"	20.974666
"484894"	627.336166	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M-2H+Na"	20.974666
"863426"	223.095166	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-2H+Na"	20.974666
"1632841"	223.095166	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Na-2H"	20.974666
"106575"	219.101563	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M-H+Cl"	33.962126
"542857"	320.161813	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M-H+Cl"	33.962126
"929811"	118.041313	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-H+Cl"	33.962126
"273833"	439.210402	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+Cl"	34.969402
"666255"	641.330902	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+Cl"	34.969402
"1276471"	237.089902	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Cl"	34.969402
"24496"	441.189606	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M-2H+K"	36.948606
"458588"	643.310106	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M-2H+K"	36.948606
"835661"	239.069106	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-2H+K"	36.948606
"1559146"	239.069106	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+K-2H"	36.948606
"946297"	247.118694	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-H+HCOOH"	44.998194
"369254"	449.239201	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+HCOOH-H"	44.998201
"352408"	463.254851	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+Hac-H"	59.013851
"1499053"	261.134351	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Hac-H"	59.013851
"964043"	269.100651	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-H+NaCOOH"	66.980151
"117325"	237.089902	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+2Cl"	69.938804
"554697"	338.150152	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+2Cl"	69.938804
"1027873"	136.029652	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2Cl"	69.938804
"1245630"	281.039385	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Br"	78.918885
"1308808"	283.095372	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Cl+HCOOH"	80.974872
"1328498"	305.077329	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Cl+NaCOOH"	102.956829
"915544"	315.106086	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M-H+CF3COOH"	112.985586
"1299549"	351.082764	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Cl+CF3COOH"	148.962264
"1381841"	167.107824	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H-2H2O"	-35.012676
"1395934"	185.1178	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H-H2O"	-17.0027
"291608"	405.248276	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+H"	1.007276
"687313"	607.368776	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+H"	1.007276
"1361108"	203.127776	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H"	1.007276
"136183"	203.127776	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+2H"	2.014552
"575014"	304.188026	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+2H"	2.014552
"1047824"	102.067526	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2H"	2.014552
"216094"	135.754276	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+3H"	3.021828
"650186"	203.127776	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+3H"	3.021828
"1167216"	68.380776	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+3H"	3.021828
"436691"	422.274823	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+NH4"	18.033823
"799146"	624.395323	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+NH4"	18.033823
"1694748"	220.154323	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+NH4"	18.033823
"343756"	211.6410495	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+H+NH4"	19.041099
"738001"	312.7012995	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+H+NH4"	19.041099
"1488901"	110.5807995	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H+NH4"	19.041099
"398835"	427.230218	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+Na"	22.989218
"759830"	629.350718	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+Na"	22.989218
"1603922"	225.109718	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Na"	22.989218
"321257"	214.118747	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+H+Na"	23.996494
"710397"	315.178997	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+H+Na"	23.996494
"1466403"	113.058497	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H+Na"	23.996494
"1061838"	75.70809	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2H+Na"	25.00377
"1268984"	235.153986	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+CH3OH+H"	33.033486
"380998"	443.204158	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+K"	38.963158
"741992"	645.324658	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+K"	38.963158
"1545134"	241.083658	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+K"	38.963158
"313739"	222.105717	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+H+K"	39.970434
"705672"	323.165967	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+H+K"	39.970434
"1457305"	121.045467	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H+K"	39.970434
"242625"	446.274826	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+ACN+H"	42.033826
"1219708"	244.154326	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+ACN+H"	42.033826
"1202498"	122.580801	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+ACN+2H"	43.041102
"197554"	449.21216	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+2Na-H"	44.97116
"636021"	651.33266	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+2Na-H"	44.97116
"1135517"	247.09166	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2Na-H"	44.97116
"175526"	225.109718	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+2Na"	45.978436
"614724"	326.169968	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+2Na"	45.978436
"1116649"	124.049468	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2Na"	45.978436
"1406132"	83.035404	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H+2Na"	46.985712
"1438257"	249.133246	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H+HCOOH"	47.012746
"227957"	230.14274	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+3H2O+2H"	56.04448
"1513831"	263.18529	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+IsoProp+H"	61.06479
"413517"	233.096688	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+Na+K"	61.952376
"781073"	334.156938	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+Na+K"	61.952376
"1673029"	132.036438	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Na+K"	61.952376
"261737"	468.256768	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+ACN+Na"	64.015768
"1232258"	266.136268	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+ACN+Na"	64.015768
"1715675"	266.159793	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+NH4+HCOOH"	64.039293
"1181033"	90.362718	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+3Na"	68.967654
"1654204"	271.115188	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Na+HCOOH"	68.994688
"158878"	481.16004	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+2K-H"	76.91904
"599533"	683.28054	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+2K-H"	76.91904
"1091702"	279.03954	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2K-H"	76.91904
"146334"	241.083658	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"2M+2K"	77.926316
"584435"	342.143908	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"3M+2K"	77.926316
"1075874"	140.023408	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2K"	77.926316
"1109086"	281.054092	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2K+H"	78.933592
"1345470"	281.141707	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+DMSO+H"	79.021207
"1011812"	285.180876	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2ACN+H"	83.060376
"1532127"	286.174508	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+IsoProp+Na+H"	84.054008
"995294"	143.094076	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+2ACN+2H"	84.067652
"1593078"	287.089128	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+K+HCOOH"	84.968628
"1414641"	317.120638	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+H+CF3COOH"	115.000138
"1147932"	163.607351	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+3ACN+2H"	125.094202
"1697478"	334.147185	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+NH4+CF3COOH"	132.026685
"1634593"	339.10258	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+Na+CF3COOH"	136.98208
"1583004"	355.07652	"C17803"	"Dimethyl suberate;Octanedioic acid dimethyl"	"C10H18O4"	"202.1205"	"M+K+CF3COOH"	152.95602
"812276"	1028.5556	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M"	0
"982528"	1009.53721	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-H2O-H"	-19.01839
"76238"	684.696457333333	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M-3H"	-3.021828
"512517"	1027.548324	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M-3H"	-3.021828
"889956"	341.844590666667	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-3H"	-3.021828
"7801"	1027.548324	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M-2H"	-2.014552
"446268"	1541.826124	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M-2H"	-2.014552
"822976"	513.270524	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-2H"	-2.014552
"85155"	2056.103924	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M-H"	-1.007276
"525808"	3084.659524	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M-H"	-1.007276
"902517"	1027.548324	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-H"	-1.007276
"50332"	2073.130471	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M-2H+NH4"	16.019271
"489891"	3101.686071	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M-2H+NH4"	16.019271
"868785"	1044.574871	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-2H+NH4"	16.019271
"34863"	2078.085866	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M-2H+Na"	20.974666
"485004"	3106.641466	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M-2H+Na"	20.974666
"863172"	1049.530266	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-2H+Na"	20.974666
"1625778"	1049.530266	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Na-2H"	20.974666
"96475"	1045.536663	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M-H+Cl"	33.962126
"542963"	1559.814463	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M-H+Cl"	33.962126
"934294"	531.258863	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-H+Cl"	33.962126
"275036"	2092.080602	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+Cl"	34.969402
"661503"	3120.636202	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+Cl"	34.969402
"1277674"	1063.525002	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Cl"	34.969402
"22419"	2094.059806	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M-2H+K"	36.948606
"458698"	3122.615406	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M-2H+K"	36.948606
"835771"	1065.504206	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-2H+K"	36.948606
"1556825"	1065.504206	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+K-2H"	36.948606
"944828"	1073.553794	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-H+HCOOH"	44.998194
"369364"	2102.109401	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+HCOOH-H"	44.998201
"352154"	2116.125051	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+Hac-H"	59.013851
"1499163"	1087.569451	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Hac-H"	59.013851
"964517"	1095.535751	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-H+NaCOOH"	66.980151
"117435"	1063.525002	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+2Cl"	69.938804
"551891"	1577.802802	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+2Cl"	69.938804
"1030170"	549.247202	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2Cl"	69.938804
"1248656"	1107.474485	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Br"	78.918885
"1306001"	1109.530472	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Cl+HCOOH"	80.974872
"1328608"	1131.512429	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Cl+NaCOOH"	102.956829
"916383"	1141.541186	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M-H+CF3COOH"	112.985586
"1301844"	1177.517864	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Cl+CF3COOH"	148.962264
"1382518"	993.542924	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H-2H2O"	-35.012676
"1394219"	1011.5529	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H-H2O"	-17.0027
"288437"	2058.118476	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+H"	1.007276
"685964"	3086.674076	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+H"	1.007276
"1358301"	1029.562876	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H"	1.007276
"133377"	1029.562876	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+2H"	2.014552
"572938"	1543.840676	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+2H"	2.014552
"1047934"	515.285076	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2H"	2.014552
"209639"	686.711009333333	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+3H"	3.021828
"649199"	1029.562876	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+3H"	3.021828
"1166232"	343.859142666667	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+3H"	3.021828
"438259"	2075.145023	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+NH4"	18.033823
"798892"	3103.700623	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+NH4"	18.033823
"1693401"	1046.589423	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+NH4"	18.033823
"343502"	1038.0761495	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+H+NH4"	19.041099
"737382"	1552.3539495	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+H+NH4"	19.041099
"1487918"	523.7983495	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H+NH4"	19.041099
"398945"	2080.100418	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+Na"	22.989218
"759939"	3108.656018	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+Na"	22.989218
"1603178"	1051.544818	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Na"	22.989218
"320275"	1040.553847	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+H+Na"	23.996494
"713790"	1554.831647	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+H+Na"	23.996494
"1469799"	526.276047	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H+Na"	23.996494
"1060853"	351.186456666667	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2H+Na"	25.00377
"1268001"	1061.589086	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+CH3OH+H"	33.033486
"381108"	2096.074358	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+K"	38.963158
"743196"	3124.629958	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+K"	38.963158
"1543060"	1067.518758	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+K"	38.963158
"312269"	1048.540817	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+H+K"	39.970434
"699223"	1562.818617	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+H+K"	39.970434
"1459603"	534.263017	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H+K"	39.970434
"244923"	2099.145026	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+ACN+H"	42.033826
"1218726"	1070.589426	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+ACN+H"	42.033826
"1202608"	535.798351	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+ACN+2H"	43.041102
"194385"	2102.08236	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+2Na-H"	44.97116
"632850"	3130.63796	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+2Na-H"	44.97116
"1135264"	1073.52676	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2Na-H"	44.97116
"174907"	1051.544818	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+2Na"	45.978436
"613049"	1565.822618	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+2Na"	45.978436
"1115866"	537.267018	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2Na"	45.978436
"1407335"	358.513770666667	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H+2Na"	46.985712
"1436178"	1075.568346	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H+HCOOH"	47.012746
"234627"	1056.57784	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+3H2O+2H"	56.04448
"1516128"	1089.62039	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+IsoProp+H"	61.06479
"415813"	1059.531788	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+Na+K"	61.952376
"771339"	1573.809588	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+Na+K"	61.952376
"1672046"	545.253988	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Na+K"	61.952376
"258567"	2121.126968	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+ACN+Na"	64.015768
"1232367"	1092.571368	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+ACN+Na"	64.015768
"1715785"	1092.594893	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+NH4+HCOOH"	64.039293
"1182235"	365.841084666667	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+3Na"	68.967654
"1651762"	1097.550288	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Na+HCOOH"	68.994688
"159353"	2134.03024	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+2K-H"	76.91904
"600736"	3162.58584	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+2K-H"	76.91904
"1089625"	1105.47464	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2K-H"	76.91904
"148631"	1067.518758	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"2M+2K"	77.926316
"588190"	1581.796558	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"3M+2K"	77.926316
"1074890"	553.240958	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2K"	77.926316
"1112476"	1107.489192	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2K+H"	78.933592
"1345580"	1107.576807	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+DMSO+H"	79.021207
"1009736"	1111.615976	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2ACN+H"	83.060376
"1534424"	1112.609608	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+IsoProp+Na+H"	84.054008
"998684"	556.311626	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+2ACN+2H"	84.067652
"1593188"	1113.524228	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+K+HCOOH"	84.968628
"1414960"	1143.555738	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+H+CF3COOH"	115.000138
"1148406"	576.824901	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+3ACN+2H"	125.094202
"1697592"	1160.582285	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+NH4+CF3COOH"	132.026685
"1634339"	1165.53768	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+Na+CF3COOH"	136.98208
"1574366"	1181.51162	"C17804"	"Clematichinenoside A"	"C52H84O20"	"1028.5556"	"M+K+CF3COOH"	152.95602
"803638"	1514.7141	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M"	0
"982638"	1495.69571	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-H2O-H"	-19.01839
"75255"	1008.802124	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M-3H"	-3.021828
"511534"	1513.706824	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M-3H"	-3.021828
"889336"	503.897424	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-3H"	-3.021828
"5722"	1513.706824	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M-2H"	-2.014552
"442003"	2271.063874	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M-2H"	-2.014552
"818710"	756.349774	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-2H"	-2.014552
"87452"	3028.420924	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M-H"	-1.007276
"524824"	4543.135024	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M-H"	-1.007276
"902627"	1513.706824	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-H"	-1.007276
"52629"	3045.447471	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M-2H+NH4"	16.019271
"490002"	4560.161571	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M-2H+NH4"	16.019271
"867802"	1530.733371	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-2H+NH4"	16.019271
"34607"	3050.402866	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M-2H+Na"	20.974666
"485115"	4565.116966	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M-2H+Na"	20.974666
"858541"	1535.688766	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-2H+Na"	20.974666
"1626980"	1535.688766	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Na-2H"	20.974666
"100228"	1531.695163	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M-H+Cl"	33.962126
"539789"	2289.052213	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M-H+Cl"	33.962126
"935497"	774.338113	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-H+Cl"	33.962126
"274053"	3064.397602	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+Cl"	34.969402
"660272"	4579.111702	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+Cl"	34.969402
"1275596"	1549.683502	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Cl"	34.969402
"19613"	3066.376806	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M-2H+K"	36.948606
"457714"	4581.090906	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M-2H+K"	36.948606
"836974"	1551.662706	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-2H+K"	36.948606
"1556329"	1551.662706	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+K-2H"	36.948606
"944696"	1559.712294	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-H+HCOOH"	44.998194
"367288"	3074.426401	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+HCOOH-H"	44.998201
"352264"	3088.442051	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+Hac-H"	59.013851
"1499273"	1573.727951	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Hac-H"	59.013851
"963898"	1581.694251	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-H+NaCOOH"	66.980151
"117545"	1549.683502	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+2Cl"	69.938804
"552001"	2307.040552	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+2Cl"	69.938804
"1024808"	792.326452	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2Cl"	69.938804
"1248766"	1593.632985	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Br"	78.918885
"1308297"	1595.688972	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Cl+HCOOH"	80.974872
"1328718"	1617.670929	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Cl+NaCOOH"	102.956829
"916494"	1627.699686	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M-H+CF3COOH"	112.985586
"1298674"	1663.676364	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Cl+CF3COOH"	148.962264
"1379751"	1479.701424	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H-2H2O"	-35.012676
"1394329"	1497.7114	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H-H2O"	-17.0027
"288547"	3030.435476	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+H"	1.007276
"685344"	4545.149576	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+H"	1.007276
"1359505"	1515.721376	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H"	1.007276
"135674"	1515.721376	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+2H"	2.014552
"575235"	2273.078426	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+2H"	2.014552
"1049137"	758.364326	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2H"	2.014552
"209751"	1010.816676	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+3H"	3.021828
"651496"	1515.721376	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+3H"	3.021828
"1167436"	505.911976	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+3H"	3.021828
"439462"	3047.462023	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+NH4"	18.033823
"799732"	4562.176123	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+NH4"	18.033823
"1694602"	1532.747923	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+NH4"	18.033823
"343976"	1524.2346495	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+H+NH4"	19.041099
"736396"	2281.5916995	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+H+NH4"	19.041099
"1488028"	766.8775995	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H+NH4"	19.041099
"400149"	3052.417418	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+Na"	22.989218
"761141"	4567.131518	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+Na"	22.989218
"1604140"	1537.703318	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Na"	22.989218
"324757"	1526.712347	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+H+Na"	23.996494
"717179"	2284.069397	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+H+Na"	23.996494
"1472092"	769.355297	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H+Na"	23.996494
"1062056"	513.23929	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2H+Na"	25.00377
"1269933"	1547.747586	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+CH3OH+H"	33.033486
"383404"	3068.391358	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+K"	38.963158
"744399"	4583.105458	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+K"	38.963158
"1545356"	1553.677258	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+K"	38.963158
"312379"	1534.699317	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+H+K"	39.970434
"700426"	2292.056367	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+H+K"	39.970434
"1456432"	777.342267	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H+K"	39.970434
"245033"	3071.462026	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+ACN+H"	42.033826
"1215555"	1556.747926	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+ACN+H"	42.033826
"1198345"	778.877601	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+ACN+2H"	43.041102
"194495"	3074.39936	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+2Na-H"	44.97116
"632960"	4589.11346	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+2Na-H"	44.97116
"1135374"	1559.68526	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2Na-H"	44.97116
"177568"	1537.703318	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+2Na"	45.978436
"614944"	2295.060368	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+2Na"	45.978436
"1117355"	780.346268	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2Na"	45.978436
"1407445"	520.566604	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H+2Na"	46.985712
"1439564"	1561.726846	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H+HCOOH"	47.012746
"234737"	1542.73634	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+3H2O+2H"	56.04448
"1515143"	1575.77889	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+IsoProp+H"	61.06479
"413736"	1545.690288	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+Na+K"	61.952376
"774363"	2303.047338	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+Na+K"	61.952376
"1674342"	788.333238	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Na+K"	61.952376
"258677"	3093.443968	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+ACN+Na"	64.015768
"1233570"	1578.729868	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+ACN+Na"	64.015768
"1715895"	1578.753393	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+NH4+HCOOH"	64.039293
"1183439"	527.893918	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+3Na"	68.967654
"1653330"	1583.708788	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Na+HCOOH"	68.994688
"160192"	3106.34724	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+2K-H"	76.91904
"599874"	4621.06134	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+2K-H"	76.91904
"1090827"	1591.63314	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2K-H"	76.91904
"150927"	1553.677258	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"2M+2K"	77.926316
"586477"	2311.034308	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"3M+2K"	77.926316
"1073907"	796.320208	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2K"	77.926316
"1110399"	1593.647692	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2K+H"	78.933592
"1343503"	1593.735307	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+DMSO+H"	79.021207
"1010939"	1597.774476	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2ACN+H"	83.060376
"1536720"	1598.768108	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+IsoProp+Na+H"	84.054008
"998794"	799.390876	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+2ACN+2H"	84.067652
"1593298"	1599.682728	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+K+HCOOH"	84.968628
"1415678"	1629.714238	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+H+CF3COOH"	115.000138
"1150338"	819.904151	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+3ACN+2H"	125.094202
"1698431"	1646.740785	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+NH4+CF3COOH"	132.026685
"1635542"	1651.69618	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+Na+CF3COOH"	136.98208
"1574476"	1667.67012	"C17805"	"Clematichinenoside B"	"C70H114O35"	"1514.7141"	"M+K+CF3COOH"	152.95602
"803748"	1498.7192	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M"	0
"982748"	1479.70081	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-H2O-H"	-19.01839
"75365"	998.138857333333	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M-3H"	-3.021828
"512738"	1497.711924	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M-3H"	-3.021828
"893456"	498.565790666667	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-3H"	-3.021828
"9112"	1497.711924	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M-2H"	-2.014552
"444300"	2247.071524	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M-2H"	-2.014552
"822099"	748.352324	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-2H"	-2.014552
"91694"	2996.431124	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M-H"	-1.007276
"527121"	4495.150324	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M-H"	-1.007276
"907112"	1497.711924	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-H"	-1.007276
"56017"	3013.457671	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M-2H+NH4"	16.019271
"493392"	4512.176871	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M-2H+NH4"	16.019271
"867912"	1514.738471	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-2H+NH4"	16.019271
"35082"	3018.413066	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M-2H+Na"	20.974666
"482673"	4517.132266	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M-2H+Na"	20.974666
"855371"	1519.693866	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-2H+Na"	20.974666
"1622717"	1519.693866	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Na-2H"	20.974666
"98151"	1515.700263	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M-H+Cl"	33.962126
"534548"	2265.059863	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M-H+Cl"	33.962126
"933421"	766.340663	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-H+Cl"	33.962126
"274163"	3032.407802	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+Cl"	34.969402
"660221"	4531.127002	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+Cl"	34.969402
"1277893"	1533.688602	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Cl"	34.969402
"18994"	3034.387006	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M-2H+K"	36.948606
"456240"	4533.106206	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M-2H+K"	36.948606
"835991"	1535.667806	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-2H+K"	36.948606
"1555688"	1535.667806	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+K-2H"	36.948606
"946995"	1543.717394	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-H+HCOOH"	44.998194
"364483"	3042.436601	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+HCOOH-H"	44.998201
"348730"	3056.452251	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+Hac-H"	59.013851
"1497561"	1557.733051	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Hac-H"	59.013851
"962915"	1565.699351	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-H+NaCOOH"	66.980151
"115469"	1533.688602	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+2Cl"	69.938804
"553205"	2283.048202	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+2Cl"	69.938804
"1025284"	784.329002	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2Cl"	69.938804
"1244866"	1577.638085	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Br"	78.918885
"1310229"	1579.694072	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Cl+HCOOH"	80.974872
"1322264"	1601.676029	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Cl+NaCOOH"	102.956829
"912712"	1611.704786	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M-H+CF3COOH"	112.985586
"1293314"	1647.681464	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Cl+CF3COOH"	148.962264
"1377673"	1463.706524	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H-2H2O"	-35.012676
"1391159"	1481.7165	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H-H2O"	-17.0027
"285741"	2998.445676	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+H"	1.007276
"684726"	4497.164876	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+H"	1.007276
"1355242"	1499.726476	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H"	1.007276
"131411"	1499.726476	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+2H"	2.014552
"576438"	2249.086076	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+2H"	2.014552
"1050341"	750.366876	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2H"	2.014552
"213141"	1000.15340933333	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+3H"	3.021828
"647236"	1499.726476	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+3H"	3.021828
"1166456"	500.580342666667	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+3H"	3.021828
"431917"	3015.472223	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+NH4"	18.033823
"798384"	4514.191423	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+NH4"	18.033823
"1692524"	1516.753023	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+NH4"	18.033823
"338616"	1508.2397495	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+H+NH4"	19.041099
"733224"	2257.5993495	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+H+NH4"	19.041099
"1487045"	758.8801495	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H+NH4"	19.041099
"396977"	3020.427618	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+Na"	22.989218
"760156"	4519.146818	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+Na"	22.989218
"1603153"	1521.708418	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Na"	22.989218
"322681"	1510.717447	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+H+Na"	23.996494
"717289"	2260.077047	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+H+Na"	23.996494
"1472202"	761.357847	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H+Na"	23.996494
"1058887"	507.907656666667	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2H+Na"	25.00377
"1267127"	1531.752686	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+CH3OH+H"	33.033486
"382421"	3036.401558	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+K"	38.963158
"744509"	4535.120758	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+K"	38.963158
"1544373"	1537.682358	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+K"	38.963158
"311032"	1518.704417	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+H+K"	39.970434
"698350"	2268.064017	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+H+K"	39.970434
"1452169"	769.344817	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H+K"	39.970434
"244050"	3039.472226	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+ACN+H"	42.033826
"1213478"	1540.753026	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+ACN+H"	42.033826
"1197361"	770.880151	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+ACN+2H"	43.041102
"193511"	3042.40956	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+2Na-H"	44.97116
"635257"	4541.12876	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+2Na-H"	44.97116
"1137668"	1543.69036	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2Na-H"	44.97116
"178769"	1521.708418	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+2Na"	45.978436
"615054"	2271.068018	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+2Na"	45.978436
"1117829"	772.348818	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2Na"	45.978436
"1400994"	515.234970666667	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H+2Na"	46.985712
"1435299"	1545.731946	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H+HCOOH"	47.012746
"227191"	1526.74144	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+3H2O+2H"	56.04448
"1511244"	1559.78399	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+IsoProp+H"	61.06479
"411293"	1529.695388	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+Na+K"	61.952376
"773379"	2279.054988	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+Na+K"	61.952376
"1670077"	780.335788	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Na+K"	61.952376
"257694"	3061.454168	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+ACN+Na"	64.015768
"1229307"	1562.734968	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+ACN+Na"	64.015768
"1713453"	1562.758493	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+NH4+HCOOH"	64.039293
"1180267"	522.562284666667	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+3Na"	68.967654
"1650524"	1567.713888	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Na+HCOOH"	68.994688
"157507"	3074.35744	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+2K-H"	76.91904
"599863"	4573.07664	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+2K-H"	76.91904
"1087657"	1575.63824	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2K-H"	76.91904
"147757"	1537.682358	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"2M+2K"	77.926316
"585129"	2287.041958	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"3M+2K"	77.926316
"1075110"	788.322758	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2K"	77.926316
"1105042"	1577.652792	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2K+H"	78.933592
"1342520"	1577.740407	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+DMSO+H"	79.021207
"1012142"	1581.779576	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2ACN+H"	83.060376
"1526988"	1582.773208	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+IsoProp+Na+H"	84.054008
"995623"	791.393426	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+2ACN+2H"	84.067652
"1593407"	1583.687828	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+K+HCOOH"	84.968628
"1416880"	1613.719338	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+H+CF3COOH"	115.000138
"1148260"	811.906701	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+3ACN+2H"	125.094202
"1697569"	1630.745885	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+NH4+CF3COOH"	132.026685
"1634177"	1635.70128	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+Na+CF3COOH"	136.98208
"1575679"	1651.67522	"C17806"	"Clematichinenoside C"	"C70H114O34"	"1498.7192"	"M+K+CF3COOH"	152.95602
"804951"	1336.6663	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M"	0
"981765"	1317.64791	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-H2O-H"	-19.01839
"75475"	890.103590666667	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M-3H"	-3.021828
"511754"	1335.659024	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M-3H"	-3.021828
"892472"	444.548157333333	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-3H"	-3.021828
"5942"	1335.659024	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M-2H"	-2.014552
"444410"	2003.992174	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M-2H"	-2.014552
"821115"	667.325874	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-2H"	-2.014552
"90952"	2672.325324	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M-H"	-1.007276
"527232"	4008.991624	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M-H"	-1.007276
"905034"	1335.659024	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-H"	-1.007276
"52847"	2689.351871	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M-2H+NH4"	16.019271
"489612"	4026.018171	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M-2H+NH4"	16.019271
"868022"	1352.685571	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-2H+NH4"	16.019271
"35191"	2694.307266	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M-2H+Na"	20.974666
"474386"	4030.973566	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M-2H+Na"	20.974666
"855481"	1357.640966	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-2H+Na"	20.974666
"1622827"	1357.640966	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Na-2H"	20.974666
"97167"	1353.647363	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M-H+Cl"	33.962126
"535148"	2021.980513	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M-H+Cl"	33.962126
"934624"	685.314213	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-H+Cl"	33.962126
"270993"	2708.302002	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+Cl"	34.969402
"664508"	4044.968302	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+Cl"	34.969402
"1273993"	1371.635702	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Cl"	34.969402
"20562"	2710.281206	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M-2H+K"	36.948606
"459393"	4046.947506	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M-2H+K"	36.948606
"838288"	1373.614906	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-2H+K"	36.948606
"1559589"	1373.614906	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+K-2H"	36.948606
"945646"	1381.664494	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-H+HCOOH"	44.998194
"365686"	2718.330801	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+HCOOH-H"	44.998201
"349933"	2732.346451	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+Hac-H"	59.013851
"1497307"	1395.680151	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Hac-H"	59.013851
"961932"	1403.646451	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-H+NaCOOH"	66.980151
"113025"	1371.635702	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+2Cl"	69.938804
"552342"	2039.968852	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+2Cl"	69.938804
"1025028"	703.302552	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2Cl"	69.938804
"1245704"	1415.585185	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Br"	78.918885
"1310340"	1417.641172	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Cl+HCOOH"	80.974872
"1322738"	1439.623129	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Cl+NaCOOH"	102.956829
"913065"	1449.651886	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M-H+CF3COOH"	112.985586
"1292328"	1485.628564	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Cl+CF3COOH"	148.962264
"1372679"	1301.653624	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H-2H2O"	-35.012676
"1387988"	1319.6636	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H-H2O"	-17.0027
"286578"	2674.339876	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+H"	1.007276
"679003"	4011.006176	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+H"	1.007276
"1355349"	1337.673576	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H"	1.007276
"128240"	1337.673576	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+2H"	2.014552
"571081"	2006.006726	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+2H"	2.014552
"1046076"	669.340426	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2H"	2.014552
"211064"	892.118142666667	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+3H"	3.021828
"650626"	1337.673576	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+3H"	3.021828
"1166566"	446.562709333333	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+3H"	3.021828
"434215"	2691.366423	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+NH4"	18.033823
"797401"	4028.032723	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+NH4"	18.033823
"1690450"	1354.700123	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+NH4"	18.033823
"338727"	1346.1868495	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+H+NH4"	19.041099
"733335"	2014.5199995	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+H+NH4"	19.041099
"1487155"	677.8536995	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H+NH4"	19.041099
"398181"	2696.321818	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+Na"	22.989218
"759174"	4032.988118	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+Na"	22.989218
"1603304"	1359.655518	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Na"	22.989218
"319510"	1348.664547	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+H+Na"	23.996494
"717399"	2016.997697	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+H+Na"	23.996494
"1465751"	680.331397	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H+Na"	23.996494
"1060088"	453.890023333333	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2H+Na"	25.00377
"1263954"	1369.699786	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+CH3OH+H"	33.033486
"383623"	2712.295758	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+K"	38.963158
"742431"	4048.962058	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+K"	38.963158
"1544482"	1375.629458	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+K"	38.963158
"307132"	1356.651517	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+H+K"	39.970434
"694086"	2024.984667	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+H+K"	39.970434
"1451186"	688.318367	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H+K"	39.970434
"241976"	2715.366426	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+ACN+H"	42.033826
"1213588"	1378.700126	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+ACN+H"	42.033826
"1199657"	689.853701	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+ACN+2H"	43.041102
"193623"	2718.30376	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+2Na-H"	44.97116
"633180"	4054.97006	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+2Na-H"	44.97116
"1135591"	1381.63746	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2Na-H"	44.97116
"178150"	1359.655518	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+2Na"	45.978436
"614187"	2027.988668	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+2Na"	45.978436
"1116604"	691.322368	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2Na"	45.978436
"1401104"	461.217337333333	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H+2Na"	46.985712
"1440876"	1383.679046	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H+HCOOH"	47.012746
"228394"	1364.68854	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+3H2O+2H"	56.04448
"1511354"	1397.73109	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+IsoProp+H"	61.06479
"412860"	1367.642488	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+Na+K"	61.952376
"773854"	2035.975638	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+Na+K"	61.952376
"1670187"	699.309338	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Na+K"	61.952376
"259990"	2737.348368	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+ACN+Na"	64.015768
"1229781"	1400.682068	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+ACN+Na"	64.015768
"1715021"	1400.705593	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+NH4+HCOOH"	64.039293
"1183658"	468.544651333333	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+3Na"	68.967654
"1654644"	1405.660988	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Na+HCOOH"	68.994688
"159319"	2750.25164	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+2K-H"	76.91904
"602161"	4086.91794	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+2K-H"	76.91904
"1091047"	1413.58534	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2K-H"	76.91904
"151147"	1375.629458	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"2M+2K"	77.926316
"588519"	2043.962608	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"3M+2K"	77.926316
"1077406"	707.296308	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2K"	77.926316
"1109526"	1415.599892	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2K+H"	78.933592
"1344816"	1415.687507	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+DMSO+H"	79.021207
"1015531"	1419.726676	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2ACN+H"	83.060376
"1533659"	1420.720308	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+IsoProp+Na+H"	84.054008
"1000105"	710.366976	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+2ACN+2H"	84.067652
"1596796"	1421.634928	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+K+HCOOH"	84.968628
"1422456"	1451.666438	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+H+CF3COOH"	115.000138
"1148734"	730.880251	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+3ACN+2H"	125.094202
"1699380"	1468.692985	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+NH4+CF3COOH"	132.026685
"1637948"	1473.64838	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+Na+CF3COOH"	136.98208
"1575789"	1489.62232	"C17807"	"Huzhongoside B"	"C64H104O29"	"1336.6663"	"M+K+CF3COOH"	152.95602
"804332"	358.1416	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M"	0
"981875"	339.12321	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"75585"	237.753790666667	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"510771"	357.134324	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"887478"	118.373257333333	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"6052"	357.134324	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"443427"	536.205124	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"820496"	178.063524	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"87783"	715.275924	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"522968"	1073.417524	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"901864"	357.134324	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"49677"	732.302471	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"490690"	1090.444071	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"867767"	374.160871	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"34936"	737.257866	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"476318"	1095.399466	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"855591"	379.116266	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1622937"	379.116266	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"97277"	375.122663	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"537932"	554.193463	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"928293"	196.051863	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"268671"	751.252602	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"664618"	1109.394202	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1274467"	393.111002	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"21765"	753.231806	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"461325"	1111.373406	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"834388"	395.090206	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1557875"	395.090206	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"944662"	403.139794	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"362879"	761.281401	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"349679"	775.297051	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1497417"	417.155451	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"963865"	425.121751	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"113135"	393.111002	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"551966"	572.181802	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1022099"	214.040202	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1246543"	437.060485	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1310450"	439.116472	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1322119"	461.098429	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"911716"	471.127186	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1291709"	507.103864	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1372789"	323.128924	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1387005"	341.1389	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"283772"	717.290476	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"676926"	1075.432076	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1355460"	359.148876	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"129443"	359.148876	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"569004"	538.219676	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1048738"	180.078076	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"207894"	239.768342666667	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"646726"	359.148876	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1166675"	120.387809333333	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"434324"	734.317023	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"795319"	1092.458623	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1691651"	376.175423	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"338836"	367.6621495	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"729071"	546.7329495	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1485075"	188.5913495	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"398292"	739.272418	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"758192"	1097.414018	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1603252"	381.130818	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"325089"	370.139847	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"717510"	549.210647	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1472423"	191.069047	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1060200"	127.715123333333	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1262974"	391.175086	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"383733"	755.246358	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"745823"	1113.387958	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1543500"	397.104758	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"308335"	378.126817	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"697476"	557.197617	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1455670"	199.056017	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"245367"	758.317026	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1213699"	400.175426	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1201956"	200.591351	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"191546"	761.25436	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"633292"	1119.39596	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1137888"	403.11276	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"174738"	381.130818	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"615272"	560.201618	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1116957"	202.060018	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1401578"	135.042437333333	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1437710"	405.154346	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"228504"	386.16384	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1512193"	419.20639	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"413335"	389.117788	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"775059"	568.188588	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1670297"	210.046988	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"257913"	780.298968	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1230984"	422.157368	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1715495"	422.180893	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1185955"	142.369751333333	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1651473"	427.136288	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"158698"	793.20224	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"598990"	1151.34384	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1085689"	435.06064	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"150164"	397.104758	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"586441"	576.175558	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1077516"	218.033958	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1108540"	437.075192	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1347111"	437.162807	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1014547"	441.201976	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1533770"	442.195608	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"996935"	221.104626	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1595813"	443.110228	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1420380"	473.141738	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1150667"	241.617901	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1698396"	490.168285	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1636965"	495.12368	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1575899"	511.09762	"C17808"	"Clemaphenol A"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"805171"	418.1264	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M"	0
"976516"	399.10801	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-H2O-H"	-19.01839
"74602"	277.743657333333	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M-3H"	-3.021828
"509788"	417.119124	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M-3H"	-3.021828
"887588"	138.368190666667	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-3H"	-3.021828
"6162"	417.119124	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M-2H"	-2.014552
"443533"	626.182324	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M-2H"	-2.014552
"820241"	208.055924	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-2H"	-2.014552
"84609"	835.245524	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M-H"	-1.007276
"521985"	1253.371924	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M-H"	-1.007276
"900883"	417.119124	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-H"	-1.007276
"50881"	852.272071	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M-2H+NH4"	16.019271
"490072"	1270.398471	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M-2H+NH4"	16.019271
"868243"	434.145671	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-2H+NH4"	16.019271
"33591"	857.227466	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M-2H+Na"	20.974666
"475700"	1275.353866	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M-2H+Na"	20.974666
"856794"	439.101066	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-2H+Na"	20.974666
"1625234"	439.101066	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Na-2H"	20.974666
"100667"	435.107463	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M-H+Cl"	33.962126
"538042"	644.170663	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M-H+Cl"	33.962126
"939219"	226.044263	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-H+Cl"	33.962126
"270484"	871.222202	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+Cl"	34.969402
"669102"	1289.348602	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+Cl"	34.969402
"1274214"	453.095802	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Cl"	34.969402
"22971"	873.201406	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M-2H+K"	36.948606
"461435"	1291.327806	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M-2H+K"	36.948606
"837779"	455.075006	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-2H+K"	36.948606
"1557621"	455.075006	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+K-2H"	36.948606
"944773"	463.124594	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-H+HCOOH"	44.998194
"363719"	881.251001	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+HCOOH-H"	44.998201
"352705"	895.266651	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+Hac-H"	59.013851
"1500443"	477.140251	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Hac-H"	59.013851
"963975"	485.106551	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-H+NaCOOH"	66.980151
"113974"	453.095802	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+2Cl"	69.938804
"556452"	662.159002	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+2Cl"	69.938804
"1027436"	244.032602	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2Cl"	69.938804
"1247382"	497.045285	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Br"	78.918885
"1311653"	499.101272	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Cl+HCOOH"	80.974872
"1321865"	521.083229	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Cl+NaCOOH"	102.956829
"911826"	531.111986	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M-H+CF3COOH"	112.985586
"1292550"	567.088664	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Cl+CF3COOH"	148.962264
"1372899"	383.113724	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H-2H2O"	-35.012676
"1387115"	401.1237	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H-H2O"	-17.0027
"283640"	837.260076	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+H"	1.007276
"680316"	1255.386476	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+H"	1.007276
"1355570"	419.133676	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H"	1.007276
"133564"	419.133676	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+2H"	2.014552
"572394"	628.196876	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+2H"	2.014552
"1047756"	210.070476	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2H"	2.014552
"205087"	279.758209333333	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+3H"	3.021828
"648659"	419.133676	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+3H"	3.021828
"1166785"	140.382742666667	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+3H"	3.021828
"435532"	854.286623	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+NH4"	18.033823
"797622"	1272.413023	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+NH4"	18.033823
"1693950"	436.160223	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+NH4"	18.033823
"338946"	427.6469495	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+H+NH4"	19.041099
"728088"	636.7101495	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+H+NH4"	19.041099
"1481908"	218.5837495	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H+NH4"	19.041099
"398402"	859.242018	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+Na"	22.989218
"758303"	1277.368418	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+Na"	22.989218
"1602763"	441.115618	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Na"	22.989218
"324105"	430.124647	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+H+Na"	23.996494
"716527"	639.187847	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+H+Na"	23.996494
"1472533"	221.061447	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H+Na"	23.996494
"1061403"	147.710056666667	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2H+Na"	25.00377
"1264175"	451.159886	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+CH3OH+H"	33.033486
"382750"	875.215958	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+K"	38.963158
"744841"	1293.342358	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+K"	38.963158
"1545798"	457.089558	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+K"	38.963158
"308445"	438.111617	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+H+K"	39.970434
"697587"	647.174817	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+H+K"	39.970434
"1455782"	229.048417	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H+K"	39.970434
"243289"	878.286626	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+ACN+H"	42.033826
"1213809"	460.160226	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+ACN+H"	42.033826
"1196599"	230.583751	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+ACN+2H"	43.041102
"189589"	881.22396	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+2Na-H"	44.97116
"633403"	1299.35036	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+2Na-H"	44.97116
"1136908"	463.09756	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2Na-H"	44.97116
"174365"	441.115618	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+2Na"	45.978436
"613680"	650.178818	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+2Na"	45.978436
"1116458"	232.052418	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2Na"	45.978436
"1406792"	155.037370666667	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H+2Na"	46.985712
"1440010"	465.139146	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H+HCOOH"	47.012746
"224241"	446.14864	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+3H2O+2H"	56.04448
"1512303"	479.19119	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+IsoProp+H"	61.06479
"411989"	449.102588	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+Na+K"	61.952376
"774076"	658.165788	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+Na+K"	61.952376
"1673689"	240.039388	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Na+K"	61.952376
"261302"	900.268568	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+ACN+Na"	64.015768
"1230730"	482.142168	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+ACN+Na"	64.015768
"1716336"	482.165693	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+NH4+HCOOH"	64.039293
"1183878"	162.364684666667	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+3Na"	68.967654
"1654864"	487.121088	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Na+HCOOH"	68.994688
"158809"	913.17184	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+2K-H"	76.91904
"602381"	1331.29824	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+2K-H"	76.91904
"1090174"	495.04544	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2K-H"	76.91904
"145898"	457.089558	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"2M+2K"	77.926316
"583271"	666.152758	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"3M+2K"	77.926316
"1077626"	248.026358	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2K"	77.926316
"1108650"	497.059992	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2K+H"	78.933592
"1345034"	497.147607	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+DMSO+H"	79.021207
"1015752"	501.186776	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2ACN+H"	83.060376
"1532788"	502.180408	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+IsoProp+Na+H"	84.054008
"995952"	251.097026	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+2ACN+2H"	84.067652
"1593735"	503.095028	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+K+HCOOH"	84.968628
"1421583"	533.126538	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+H+CF3COOH"	115.000138
"1149683"	271.610301	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+3ACN+2H"	125.094202
"1701425"	550.153085	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+NH4+CF3COOH"	132.026685
"1638167"	555.10848	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+Na+CF3COOH"	136.98208
"1583664"	571.08242	"C17809"	"Polygonimitin B"	"C21H22O9"	"418.1264"	"M+K+CF3COOH"	152.95602
"804188"	286.0477	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M"	0
"975533"	267.02931	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-H2O-H"	-19.01839
"73619"	189.691190666667	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M-3H"	-3.021828
"509898"	285.040424	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M-3H"	-3.021828
"883324"	94.3419573333333	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-3H"	-3.021828
"1898"	285.040424	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M-2H"	-2.014552
"442549"	428.064274	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M-2H"	-2.014552
"818164"	142.016574	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-2H"	-2.014552
"79494"	571.088124	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M-H"	-1.007276
"519052"	857.135824	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M-H"	-1.007276
"896730"	285.040424	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-H"	-1.007276
"48798"	588.114671	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M-2H+NH4"	16.019271
"489455"	874.162371	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M-2H+NH4"	16.019271
"865797"	302.066971	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-2H+NH4"	16.019271
"32968"	593.070066	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M-2H+Na"	20.974666
"472164"	879.117766	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M-2H+Na"	20.974666
"856904"	307.022366	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-2H+Na"	20.974666
"1628624"	307.022366	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Na-2H"	20.974666
"96404"	303.028763	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M-H+Cl"	33.962126
"534504"	446.052613	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M-H+Cl"	33.962126
"931673"	160.004913	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-H+Cl"	33.962126
"267213"	607.064802	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+Cl"	34.969402
"660042"	893.112502	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+Cl"	34.969402
"1272770"	321.017102	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Cl"	34.969402
"21987"	609.044006	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M-2H+K"	36.948606
"458629"	895.091706	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M-2H+K"	36.948606
"835337"	322.996306	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-2H+K"	36.948606
"1555602"	322.996306	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+K-2H"	36.948606
"943466"	331.045894	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-H+HCOOH"	44.998194
"366747"	617.093601	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+HCOOH-H"	44.998201
"349536"	631.109251	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+Hac-H"	59.013851
"1494356"	345.061551	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Hac-H"	59.013851
"959345"	353.027851	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-H+NaCOOH"	66.980151
"112261"	321.017102	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+2Cl"	69.938804
"554374"	464.040952	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+2Cl"	69.938804
"1025360"	177.993252	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2Cl"	69.938804
"1244212"	364.966585	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Br"	78.918885
"1309577"	367.022572	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Cl+HCOOH"	80.974872
"1321975"	389.004529	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Cl+NaCOOH"	102.956829
"911478"	399.033286	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M-H+CF3COOH"	112.985586
"1292660"	435.009964	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Cl+CF3COOH"	148.962264
"1373009"	251.035024	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H-2H2O"	-35.012676
"1391599"	269.045	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H-H2O"	-17.0027
"289098"	573.102676	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+H"	1.007276
"682614"	859.150376	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+H"	1.007276
"1355682"	287.054976	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H"	1.007276
"134038"	287.054976	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+2H"	2.014552
"572504"	430.078826	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+2H"	2.014552
"1047501"	144.031126	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2H"	2.014552
"206169"	191.705742666667	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+3H"	3.021828
"648769"	287.054976	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+3H"	3.021828
"1166895"	96.3565093333333	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+3H"	3.021828
"435642"	590.129223	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+NH4"	18.033823
"796638"	876.176923	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+NH4"	18.033823
"1694060"	304.081523	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+NH4"	18.033823
"339056"	295.5682495	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+H+NH4"	19.041099
"729291"	438.5920995	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+H+NH4"	19.041099
"1482018"	152.5443995	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H+NH4"	19.041099
"398512"	595.084618	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+Na"	22.989218
"758413"	881.132318	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+Na"	22.989218
"1602901"	309.036918	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Na"	22.989218
"316917"	298.045947	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+H+Na"	23.996494
"716637"	441.069797	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+H+Na"	23.996494
"1466083"	155.022097	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H+Na"	23.996494
"1055681"	103.683823333333	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2H+Na"	25.00377
"1262098"	319.081186	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+CH3OH+H"	33.033486
"379579"	611.058558	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+K"	38.963158
"742764"	897.106258	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+K"	38.963158
"1541535"	325.010858	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+K"	38.963158
"301993"	306.032917	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+H+K"	39.970434
"698790"	449.056767	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+H+K"	39.970434
"1451515"	163.009067	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H+K"	39.970434
"241209"	614.129226	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+ACN+H"	42.033826
"1210759"	328.081526	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+ACN+H"	42.033826
"1194885"	164.544401	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+ACN+2H"	43.041102
"188649"	617.06656	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+2Na-H"	44.97116
"628808"	903.11426	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+2Na-H"	44.97116
"1132035"	331.01886	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2Na-H"	44.97116
"173739"	309.036918	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+2Na"	45.978436
"612874"	452.060768	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+2Na"	45.978436
"1115752"	166.013068	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2Na"	45.978436
"1405809"	111.011137333333	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H+2Na"	46.985712
"1439756"	333.060446	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H+HCOOH"	47.012746
"222164"	314.06994	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+3H2O+2H"	56.04448
"1513503"	347.11249	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+IsoProp+H"	61.06479
"414282"	317.023888	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+Na+K"	61.952376
"774186"	460.047738	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+Na+K"	61.952376
"1671612"	174.000038	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Na+K"	61.952376
"257037"	636.111168	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+ACN+Na"	64.015768
"1228652"	350.063468	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+ACN+Na"	64.015768
"1715351"	350.086993	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+NH4+HCOOH"	64.039293
"1178599"	118.338451333333	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+3Na"	68.967654
"1650272"	355.042388	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Na+HCOOH"	68.994688
"158189"	649.01444	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+2K-H"	76.91904
"602491"	935.06214	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+2K-H"	76.91904
"1090284"	362.96674	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2K-H"	76.91904
"146008"	325.010858	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"2M+2K"	77.926316
"583381"	468.034708	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"3M+2K"	77.926316
"1077736"	181.987008	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2K"	77.926316
"1110947"	364.981292	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2K+H"	78.933592
"1341864"	365.068907	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+DMSO+H"	79.021207
"1012581"	369.108076	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2ACN+H"	83.060376
"1532897"	370.101708	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+IsoProp+Na+H"	84.054008
"999342"	185.057676	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+2ACN+2H"	84.067652
"1593845"	371.016328	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+K+HCOOH"	84.968628
"1421693"	401.047838	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+H+CF3COOH"	115.000138
"1150888"	205.570951	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+3ACN+2H"	125.094202
"1702629"	418.074385	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+NH4+CF3COOH"	132.026685
"1639373"	423.02978	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+Na+CF3COOH"	136.98208
"1583774"	439.00372	"C17810"	"Citreorosein;omega-Hydroxyemodin"	"C15H10O6"	"286.0477"	"M+K+CF3COOH"	152.95602
"804298"	300.0634	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M"	0
"976007"	281.04501	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-H2O-H"	-19.01839
"72635"	199.034990666667	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M-3H"	-3.021828
"505634"	299.056124	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M-3H"	-3.021828
"882704"	99.0138573333333	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-3H"	-3.021828
"341"	299.056124	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M-2H"	-2.014552
"442660"	449.087824	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M-2H"	-2.014552
"818639"	149.024424	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-2H"	-2.014552
"80454"	599.119524	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M-H"	-1.007276
"519164"	899.182924	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M-H"	-1.007276
"898177"	299.056124	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-H"	-1.007276
"50001"	616.146071	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M-2H+NH4"	16.019271
"490657"	916.209471	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M-2H+NH4"	16.019271
"866269"	316.082671	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-2H+NH4"	16.019271
"34169"	621.101466	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M-2H+Na"	20.974666
"473002"	921.164866	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M-2H+Na"	20.974666
"855920"	321.038066	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-2H+Na"	20.974666
"1626547"	321.038066	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Na-2H"	20.974666
"99794"	317.044463	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M-H+Cl"	33.962126
"534492"	467.076163	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M-H+Cl"	33.962126
"933969"	167.012763	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-H+Cl"	33.962126
"267173"	635.096202	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+Cl"	34.969402
"660681"	935.159602	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+Cl"	34.969402
"1273012"	335.032802	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Cl"	34.969402
"16049"	637.075406	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M-2H+K"	36.948606
"455880"	937.138806	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M-2H+K"	36.948606
"832862"	337.012006	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-2H+K"	36.948606
"1557840"	337.012006	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+K-2H"	36.948606
"945357"	345.061594	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-H+HCOOH"	44.998194
"366857"	645.125001	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+HCOOH-H"	44.998201
"350738"	659.140651	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+Hac-H"	59.013851
"1495193"	359.077251	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Hac-H"	59.013851
"960547"	367.043551	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-H+NaCOOH"	66.980151
"112370"	335.032802	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+2Cl"	69.938804
"551930"	485.064502	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+2Cl"	69.938804
"1023646"	185.001102	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2Cl"	69.938804
"1244321"	378.982285	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Br"	78.918885
"1310051"	381.038272	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Cl+HCOOH"	80.974872
"1320499"	403.020229	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Cl+NaCOOH"	102.956829
"912285"	413.048986	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M-H+CF3COOH"	112.985586
"1289488"	449.025664	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Cl+CF3COOH"	148.962264
"1372026"	265.050724	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H-2H2O"	-35.012676
"1385876"	283.0607	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H-H2O"	-17.0027
"283854"	601.134076	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+H"	1.007276
"682724"	901.197476	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+H"	1.007276
"1355792"	301.070676	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H"	1.007276
"133055"	301.070676	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+2H"	2.014552
"571521"	451.102376	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+2H"	2.014552
"1043601"	151.038976	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2H"	2.014552
"205671"	201.049542666667	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+3H"	3.021828
"648879"	301.070676	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+3H"	3.021828
"1165912"	101.028409333333	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+3H"	3.021828
"436845"	618.160623	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+NH4"	18.033823
"796748"	918.224023	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+NH4"	18.033823
"1694170"	318.097223	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+NH4"	18.033823
"340259"	309.5839495	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+H+NH4"	19.041099
"732681"	459.6156495	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+H+NH4"	19.041099
"1486502"	159.5522495	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H+NH4"	19.041099
"397528"	623.116018	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+Na"	22.989218
"758886"	923.179418	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+Na"	22.989218
"1603097"	323.052618	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Na"	22.989218
"316662"	312.061647	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+H+Na"	23.996494
"715654"	462.093347	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+H+Na"	23.996494
"1466193"	162.029947	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H+Na"	23.996494
"1055791"	108.355723333333	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2H+Na"	25.00377
"1261479"	333.096886	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+CH3OH+H"	33.033486
"379689"	639.089958	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+K"	38.963158
"743967"	939.153358	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+K"	38.963158
"1543832"	339.026558	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+K"	38.963158
"304289"	320.048617	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+H+K"	39.970434
"699993"	470.080317	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+H+K"	39.970434
"1452718"	170.016917	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H+K"	39.970434
"241319"	642.160626	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+ACN+H"	42.033826
"1212935"	342.097226	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+ACN+H"	42.033826
"1196089"	171.552251	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+ACN+2H"	43.041102
"188830"	645.09796	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+2Na-H"	44.97116
"629611"	945.16136	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+2Na-H"	44.97116
"1134938"	345.03456	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2Na-H"	44.97116
"174945"	323.052618	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+2Na"	45.978436
"612909"	473.084318	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+2Na"	45.978436
"1115728"	173.020918	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2Na"	45.978436
"1407013"	115.683037333333	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H+2Na"	46.985712
"1440959"	347.076146	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H+HCOOH"	47.012746
"222638"	328.08564	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+3H2O+2H"	56.04448
"1512885"	361.12819	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+IsoProp+H"	61.06479
"413298"	331.039588	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+Na+K"	61.952376
"773201"	481.071288	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+Na+K"	61.952376
"1673908"	181.007888	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Na+K"	61.952376
"253865"	664.142568	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+ACN+Na"	64.015768
"1228763"	364.079168	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+ACN+Na"	64.015768
"1715097"	364.102693	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+NH4+HCOOH"	64.039293
"1179357"	123.010351333333	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+3Na"	68.967654
"1651071"	369.058088	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Na+HCOOH"	68.994688
"158664"	677.04584	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+2K-H"	76.91904
"603694"	977.10924	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+2K-H"	76.91904
"1091487"	376.98244	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2K-H"	76.91904
"147211"	339.026558	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"2M+2K"	77.926316
"582397"	489.058258	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"3M+2K"	77.926316
"1077846"	188.994858	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2K"	77.926316
"1111786"	378.996992	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2K+H"	78.933592
"1343067"	379.084607	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+DMSO+H"	79.021207
"1012691"	383.123776	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2ACN+H"	83.060376
"1534101"	384.117408	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+IsoProp+Na+H"	84.054008
"997265"	192.065526	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+2ACN+2H"	84.067652
"1593955"	385.032028	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+K+HCOOH"	84.968628
"1422897"	415.063538	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+H+CF3COOH"	115.000138
"1153185"	212.578801	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+3ACN+2H"	125.094202
"1704925"	432.090085	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+NH4+CF3COOH"	132.026685
"1640576"	437.04548	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+Na+CF3COOH"	136.98208
"1583884"	453.01942	"C17811"	"Questinol;16-Dihydroxy-3-(hydroxymethyl)-8-methoxy-910-anthracenedione"	"C16H12O6"	"300.0634"	"M+K+CF3COOH"	152.95602
"802221"	568.2308	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M"	0
"974425"	549.21241	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-H2O-H"	-19.01839
"72745"	377.813257333333	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M-3H"	-3.021828
"506837"	567.223524	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M-3H"	-3.021828
"882450"	188.402990666667	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-3H"	-3.021828
"1021"	567.223524	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M-2H"	-2.014552
"446049"	851.338924	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M-2H"	-2.014552
"819477"	283.108124	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-2H"	-2.014552
"79956"	1135.454324	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M-H"	-1.007276
"521340"	1703.685124	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M-H"	-1.007276
"897560"	567.223524	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-H"	-1.007276
"50116"	1152.480871	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M-2H+NH4"	16.019271
"491863"	1720.711671	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M-2H+NH4"	16.019271
"869662"	584.250071	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-2H+NH4"	16.019271
"35494"	1157.436266	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M-2H+Na"	20.974666
"474084"	1725.667066	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M-2H+Na"	20.974666
"850549"	589.205466	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-2H+Na"	20.974666
"1624468"	589.205466	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Na-2H"	20.974666
"99904"	585.211863	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M-H+Cl"	33.962126
"535575"	869.327263	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M-H+Cl"	33.962126
"934079"	301.096463	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-H+Cl"	33.962126
"267283"	1171.431002	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+Cl"	34.969402
"660675"	1739.661802	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+Cl"	34.969402
"1274041"	603.200202	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Cl"	34.969402
"16724"	1173.410206	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M-2H+K"	36.948606
"456526"	1741.641006	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M-2H+K"	36.948606
"833607"	605.179406	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-2H+K"	36.948606
"1556492"	605.179406	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+K-2H"	36.948606
"944009"	613.228994	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-H+HCOOH"	44.998194
"363318"	1181.459801	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+HCOOH-H"	44.998201
"347564"	1195.475451	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+Hac-H"	59.013851
"1494941"	627.244651	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Hac-H"	59.013851
"962117"	635.210951	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-H+NaCOOH"	66.980151
"112479"	603.200202	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+2Cl"	69.938804
"551676"	887.315602	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+2Cl"	69.938804
"1023392"	319.084802	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2Cl"	69.938804
"1246618"	647.149685	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Br"	78.918885
"1306149"	649.205672	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Cl+HCOOH"	80.974872
"1320487"	671.187629	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Cl+NaCOOH"	102.956829
"912881"	681.216386	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M-H+CF3COOH"	112.985586
"1289598"	717.193064	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Cl+CF3COOH"	148.962264
"1368123"	533.218124	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H-2H2O"	-35.012676
"1383798"	551.2281	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H-H2O"	-17.0027
"283157"	1137.468876	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+H"	1.007276
"682834"	1705.699676	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+H"	1.007276
"1355902"	569.238076	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H"	1.007276
"134258"	569.238076	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+2H"	2.014552
"576006"	853.353476	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+2H"	2.014552
"1045899"	285.122676	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2H"	2.014552
"207240"	379.827809333333	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+3H"	3.021828
"652270"	569.238076	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+3H"	3.021828
"1169302"	190.417542666667	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+3H"	3.021828
"437684"	1154.495423	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+NH4"	18.033823
"797587"	1722.726223	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+NH4"	18.033823
"1696102"	586.264623	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+NH4"	18.033823
"340369"	577.7513495	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+H+NH4"	19.041099
"733883"	861.8667495	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+H+NH4"	19.041099
"1489892"	293.6359495	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H+NH4"	19.041099
"402010"	1159.450818	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+Na"	22.989218
"759725"	1727.681618	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+Na"	22.989218
"1603574"	591.220018	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Na"	22.989218
"316775"	580.229047	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+H+Na"	23.996494
"715764"	864.344447	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+H+Na"	23.996494
"1466304"	296.113647	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H+Na"	23.996494
"1055537"	197.744856666667	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2H+Na"	25.00377
"1261225"	601.264286	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+CH3OH+H"	33.033486
"380892"	1175.424758	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+K"	38.963158
"743349"	1743.655558	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+K"	38.963158
"1547223"	607.193958	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+K"	38.963158
"305495"	588.216017	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+H+K"	39.970434
"697917"	872.331417	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+H+K"	39.970434
"1450644"	304.100617	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H+K"	39.970434
"238513"	1178.495426	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+ACN+H"	42.033826
"1213772"	610.264626	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+ACN+H"	42.033826
"1194859"	305.635951	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+ACN+2H"	43.041102
"188864"	1181.43276	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+2Na-H"	44.97116
"629355"	1749.66356	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+2Na-H"	44.97116
"1137234"	613.20196	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2Na-H"	44.97116
"173509"	591.220018	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+2Na"	45.978436
"613156"	875.335418	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+2Na"	45.978436
"1116055"	307.104618	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2Na"	45.978436
"1400561"	205.072170666667	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H+2Na"	46.985712
"1439246"	615.243546	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H+HCOOH"	47.012746
"226755"	596.25304	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+3H2O+2H"	56.04448
"1510443"	629.29559	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+IsoProp+H"	61.06479
"413407"	599.206988	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+Na+K"	61.952376
"771125"	883.322388	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+Na+K"	61.952376
"1671831"	315.091588	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Na+K"	61.952376
"253975"	1200.477368	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+ACN+Na"	64.015768
"1231060"	632.246568	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+ACN+Na"	64.015768
"1715572"	632.270093	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+NH4+HCOOH"	64.039293
"1178861"	212.399484666667	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+3Na"	68.967654
"1650573"	637.225488	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Na+HCOOH"	68.994688
"158044"	1213.38064	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+2K-H"	76.91904
"598699"	1781.61144	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+2K-H"	76.91904
"1091597"	645.14984	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2K-H"	76.91904
"147321"	607.193958	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"2M+2K"	77.926316
"582142"	891.309358	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"3M+2K"	77.926316
"1079049"	323.078558	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2K"	77.926316
"1103511"	647.164392	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2K+H"	78.933592
"1343177"	647.252007	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+DMSO+H"	79.021207
"1008426"	651.291176	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2ACN+H"	83.060376
"1534208"	652.284808	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+IsoProp+Na+H"	84.054008
"997375"	326.149226	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+2ACN+2H"	84.067652
"1590785"	653.199428	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+K+HCOOH"	84.968628
"1415352"	683.230938	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+H+CF3COOH"	115.000138
"1149285"	346.662501	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+3ACN+2H"	125.094202
"1703941"	700.257485	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+NH4+CF3COOH"	132.026685
"1640685"	705.21288	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+Na+CF3COOH"	136.98208
"1583994"	721.18682	"C17812"	"Lappaol D"	"C31H36O10"	"568.2308"	"M+K+CF3COOH"	152.95602
"804519"	514.2203	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M"	0
"988624"	495.20191	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-H2O-H"	-19.01839
"69576"	341.806257333333	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M-3H"	-3.021828
"505854"	513.213024	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M-3H"	-3.021828
"882560"	170.399490666667	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-3H"	-3.021828
"3321"	513.213024	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M-2H"	-2.014552
"442883"	770.323174	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M-2H"	-2.014552
"820685"	256.102874	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-2H"	-2.014552
"83955"	1027.433324	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M-H"	-1.007276
"523514"	1541.653624	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M-H"	-1.007276
"900224"	513.213024	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-H"	-1.007276
"54598"	1044.459871	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M-2H+NH4"	16.019271
"496344"	1558.680171	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M-2H+NH4"	16.019271
"868314"	530.239571	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-2H+NH4"	16.019271
"33667"	1049.415266	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M-2H+Na"	20.974666
"472861"	1563.635566	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M-2H+Na"	20.974666
"850789"	535.194966	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-2H+Na"	20.974666
"1621294"	535.194966	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Na-2H"	20.974666
"96728"	531.201363	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M-H+Cl"	33.962126
"535447"	788.311513	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M-H+Cl"	33.962126
"927736"	274.091213	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-H+Cl"	33.962126
"267751"	1063.410002	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+Cl"	34.969402
"661276"	1577.630302	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+Cl"	34.969402
"1272969"	549.189702	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Cl"	34.969402
"19033"	1065.389206	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M-2H+K"	36.948606
"456880"	1579.609506	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M-2H+K"	36.948606
"833843"	551.168906	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-2H+K"	36.948606
"1558056"	551.168906	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+K-2H"	36.948606
"944482"	559.218494	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-H+HCOOH"	44.998194
"364155"	1073.438801	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+HCOOH-H"	44.998201
"348403"	1087.454451	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+Hac-H"	59.013851
"1496143"	573.234151	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Hac-H"	59.013851
"964050"	581.200451	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-H+NaCOOH"	66.980151
"116239"	549.189702	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+2Cl"	69.938804
"559080"	806.299852	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+2Cl"	69.938804
"1023869"	292.079552	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2Cl"	69.938804
"1243812"	593.139185	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Br"	78.918885
"1304394"	595.195172	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Cl+HCOOH"	80.974872
"1322300"	617.177129	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Cl+NaCOOH"	102.956829
"912636"	627.205886	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M-H+CF3COOH"	112.985586
"1290073"	663.182564	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Cl+CF3COOH"	148.962264
"1375528"	479.207624	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H-2H2O"	-35.012676
"1386825"	497.2176	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H-H2O"	-17.0027
"286151"	1029.447876	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+H"	1.007276
"679664"	1543.668176	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+H"	1.007276
"1356377"	515.227576	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H"	1.007276
"131091"	515.227576	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+2H"	2.014552
"573930"	772.337726	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+2H"	2.014552
"1047106"	258.117426	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2H"	2.014552
"212822"	343.820809333333	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+3H"	3.021828
"654571"	515.227576	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+3H"	3.021828
"1175978"	172.414042666667	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+3H"	3.021828
"437065"	1046.474423	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+NH4"	18.033823
"799519"	1560.694723	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+NH4"	18.033823
"1694389"	532.254123	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+NH4"	18.033823
"338293"	523.7408495	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+H+NH4"	19.041099
"732901"	780.8509995	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+H+NH4"	19.041099
"1485632"	266.6306995	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H+NH4"	19.041099
"399937"	1051.429818	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+Na"	22.989218
"755464"	1565.650118	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+Na"	22.989218
"1607946"	537.209518	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Na"	22.989218
"322358"	526.218547	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+H+Na"	23.996494
"711500"	783.328697	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+H+Na"	23.996494
"1468601"	269.108397	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H+Na"	23.996494
"1056011"	179.741356666667	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2H+Na"	25.00377
"1264618"	547.253786	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+CH3OH+H"	33.033486
"386473"	1067.403758	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+K"	38.963158
"745283"	1581.624058	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+K"	38.963158
"1553897"	553.183458	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+K"	38.963158
"307794"	534.205517	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+H+K"	39.970434
"696935"	791.315667	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+H+K"	39.970434
"1450754"	277.095367	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H+K"	39.970434
"237893"	1070.474426	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+ACN+H"	42.033826
"1211697"	556.254126	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+ACN+H"	42.033826
"1195091"	278.630701	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+ACN+2H"	43.041102
"190148"	1073.41176	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+2Na-H"	44.97116
"629585"	1587.63206	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+2Na-H"	44.97116
"1134066"	559.19146	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2Na-H"	44.97116
"175537"	537.209518	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+2Na"	45.978436
"619107"	794.319668	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+2Na"	45.978436
"1123711"	280.099368	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2Na"	45.978436
"1407243"	187.068670666667	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H+2Na"	46.985712
"1437173"	561.233046	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H+HCOOH"	47.012746
"221760"	542.24254	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+3H2O+2H"	56.04448
"1509578"	575.28509	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+IsoProp+H"	61.06479
"410115"	545.196488	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+Na+K"	61.952376
"774518"	802.306638	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+Na+K"	61.952376
"1667567"	288.086338	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Na+K"	61.952376
"260649"	1092.456368	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+ACN+Na"	64.015768
"1226795"	578.236068	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+ACN+Na"	64.015768
"1724432"	578.259593	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+NH4+HCOOH"	64.039293
"1185412"	194.395984666667	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+3Na"	68.967654
"1659679"	583.214988	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Na+HCOOH"	68.994688
"163260"	1105.35964	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+2K-H"	76.91904
"598447"	1619.57994	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+2K-H"	76.91904
"1093535"	591.13934	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2K-H"	76.91904
"147432"	553.183458	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"2M+2K"	77.926316
"584805"	810.293608	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"3M+2K"	77.926316
"1072599"	296.073308	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2K"	77.926316
"1100820"	593.153892	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2K+H"	78.933592
"1345477"	593.241507	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+DMSO+H"	79.021207
"1009631"	597.280676	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2ACN+H"	83.060376
"1531037"	598.274308	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+IsoProp+Na+H"	84.054008
"997485"	299.143976	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+2ACN+2H"	84.067652
"1595272"	599.188928	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+K+HCOOH"	84.968628
"1419838"	629.220438	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+H+CF3COOH"	115.000138
"1157784"	319.657251	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+3ACN+2H"	125.094202
"1702961"	646.246985	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+NH4+CF3COOH"	132.026685
"1647361"	651.20238	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+Na+CF3COOH"	136.98208
"1578637"	667.17632	"C17814"	"Gomisin B;Schisantherin B"	"C28H34O9"	"514.2203"	"M+K+CF3COOH"	152.95602
"804629"	252.2453	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M"	0
"984725"	233.22691	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-H2O-H"	-19.01839
"69686"	167.156257333333	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M-3H"	-3.021828
"504871"	251.238024	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M-3H"	-3.021828
"883763"	83.0744906666667	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-3H"	-3.021828
"8896"	251.238024	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M-2H"	-2.014552
"444812"	377.360674	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M-2H"	-2.014552
"824074"	125.115374	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-2H"	-2.014552
"87345"	503.483324	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M-H"	-1.007276
"523627"	755.728624	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M-H"	-1.007276
"901430"	251.238024	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-H"	-1.007276
"54709"	520.509871	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M-2H+NH4"	16.019271
"495361"	772.755171	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M-2H+NH4"	16.019271
"867699"	268.264571	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-2H+NH4"	16.019271
"32442"	525.465266	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M-2H+Na"	20.974666
"472976"	777.710566	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M-2H+Na"	20.974666
"850170"	273.219966	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-2H+Na"	20.974666
"1622499"	273.219966	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Na-2H"	20.974666
"96110"	269.226363	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M-H+Cl"	33.962126
"535315"	395.349013	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M-H+Cl"	33.962126
"927977"	143.103713	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-H+Cl"	33.962126
"268478"	539.460002	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+Cl"	34.969402
"663089"	791.705302	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+Cl"	34.969402
"1273544"	287.214702	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Cl"	34.969402
"19143"	541.439206	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M-2H+K"	36.948606
"456389"	793.684506	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M-2H+K"	36.948606
"835048"	289.193906	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-2H+K"	36.948606
"1556347"	289.193906	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+K-2H"	36.948606
"944960"	297.243494	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-H+HCOOH"	44.998194
"363172"	549.488801	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+HCOOH-H"	44.998201
"348148"	563.504451	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+Hac-H"	59.013851
"1494793"	311.259151	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Hac-H"	59.013851
"966350"	319.225451	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-H+NaCOOH"	66.980151
"119629"	287.214702	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+2Cl"	69.938804
"557004"	413.337352	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+2Cl"	69.938804
"1026531"	161.092052	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2Cl"	69.938804
"1243922"	331.164185	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Br"	78.918885
"1306006"	333.220172	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Cl+HCOOH"	80.974872
"1321681"	355.202129	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Cl+NaCOOH"	102.956829
"913110"	365.230886	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M-H+CF3COOH"	112.985586
"1289817"	401.207564	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Cl+CF3COOH"	148.962264
"1372357"	217.232624	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H-2H2O"	-35.012676
"1386207"	235.2426	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H-H2O"	-17.0027
"286261"	505.497876	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+H"	1.007276
"683054"	757.743176	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+H"	1.007276
"1356123"	253.252576	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H"	1.007276
"137398"	253.252576	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+2H"	2.014552
"579144"	379.375226	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+2H"	2.014552
"1048310"	127.129926	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2H"	2.014552
"216213"	169.170809333333	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+3H"	3.021828
"655775"	253.252576	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+3H"	3.021828
"1176818"	85.0890426666667	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+3H"	3.021828
"434990"	522.524423	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+NH4"	18.033823
"798900"	774.769723	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+NH4"	18.033823
"1694499"	270.279123	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+NH4"	18.033823
"338403"	261.7658495	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+H+NH4"	19.041099
"733014"	387.8884995	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+H+NH4"	19.041099
"1487931"	135.6431995	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H+NH4"	19.041099
"401142"	527.479818	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+Na"	22.989218
"757397"	779.725118	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+Na"	22.989218
"1606962"	275.234518	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Na"	22.989218
"319189"	264.243547	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+H+Na"	23.996494
"711610"	390.366197	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+H+Na"	23.996494
"1468711"	138.120897	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H+Na"	23.996494
"1054056"	92.4163566666667	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2H+Na"	25.00377
"1259260"	285.278786	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+CH3OH+H"	33.033486
"380022"	543.453758	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+K"	38.963158
"745393"	795.699058	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+K"	38.963158
"1552915"	291.208458	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+K"	38.963158
"306810"	272.230517	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+H+K"	39.970434
"700325"	398.353167	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+H+K"	39.970434
"1450864"	146.107867	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H+K"	39.970434
"236910"	546.524426	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+ACN+H"	42.033826
"1210262"	294.279126	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+ACN+H"	42.033826
"1195325"	147.643201	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+ACN+2H"	43.041102
"188675"	549.46176	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+2Na-H"	44.97116
"629577"	801.70706	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+2Na-H"	44.97116
"1132596"	297.21646	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2Na-H"	44.97116
"179655"	275.234518	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+2Na"	45.978436
"621403"	401.357168	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+2Na"	45.978436
"1121635"	149.111868	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2Na"	45.978436
"1406260"	99.7436706666667	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H+2Na"	46.985712
"1435091"	299.258046	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H+HCOOH"	47.012746
"222235"	280.26754	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+3H2O+2H"	56.04448
"1510662"	313.31009	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+IsoProp+H"	61.06479
"409984"	283.221488	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+Na+K"	61.952376
"773534"	409.344138	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+Na+K"	61.952376
"1666947"	157.098838	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Na+K"	61.952376
"252495"	568.506368	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+ACN+Na"	64.015768
"1225809"	316.261068	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+ACN+Na"	64.015768
"1715794"	316.284593	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+NH4+HCOOH"	64.039293
"1179199"	107.070984666667	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+3Na"	68.967654
"1655415"	321.239988	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Na+HCOOH"	68.994688
"158750"	581.40964	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+2K-H"	76.91904
"599889"	833.65494	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+2K-H"	76.91904
"1094008"	329.16434	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2K-H"	76.91904
"147542"	291.208458	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"2M+2K"	77.926316
"586008"	417.331108	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"3M+2K"	77.926316
"1069304"	165.085808	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2K"	77.926316
"1100932"	331.178892	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2K+H"	78.933592
"1342305"	331.266507	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+DMSO+H"	79.021207
"1009741"	335.305676	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2ACN+H"	83.060376
"1524702"	336.299308	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+IsoProp+Na+H"	84.054008
"991397"	168.156476	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+2ACN+2H"	84.067652
"1595382"	337.213928	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+K+HCOOH"	84.968628
"1418854"	367.245438	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+H+CF3COOH"	115.000138
"1157894"	188.669751	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+3ACN+2H"	125.094202
"1703071"	384.271985	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+NH4+CF3COOH"	132.026685
"1647471"	389.22738	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+Na+CF3COOH"	136.98208
"1577654"	405.20132	"C17815"	"Civetol"	"C17H32O"	"252.2453"	"M+K+CF3COOH"	152.95602
"811300"	530.2152	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M"	0
"989090"	511.19681	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-H2O-H"	-19.01839
"77817"	352.469524	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M-3H"	-3.021828
"515917"	529.207924	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M-3H"	-3.021828
"889344"	175.731124	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-3H"	-3.021828
"3543"	529.207924	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M-2H"	-2.014552
"446383"	794.315524	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M-2H"	-2.014552
"820907"	264.100324	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-2H"	-2.014552
"83086"	1059.423124	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M-H"	-1.007276
"520457"	1589.638324	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M-H"	-1.007276
"901543"	529.207924	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-H"	-1.007276
"53730"	1076.449671	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M-2H+NH4"	16.019271
"496569"	1606.664871	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M-2H+NH4"	16.019271
"876924"	546.234471	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-2H+NH4"	16.019271
"32796"	1081.405066	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M-2H+Na"	20.974666
"474182"	1611.620266	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M-2H+Na"	20.974666
"849796"	551.189866	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-2H+Na"	20.974666
"1623703"	551.189866	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Na-2H"	20.974666
"98043"	547.196263	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M-H+Cl"	33.962126
"535304"	812.303863	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M-H+Cl"	33.962126
"929302"	282.088663	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-H+Cl"	33.962126
"268954"	1095.399802	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+Cl"	34.969402
"663199"	1625.615002	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+Cl"	34.969402
"1273293"	565.184602	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Cl"	34.969402
"18888"	1097.379006	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M-2H+K"	36.948606
"460272"	1627.594206	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M-2H+K"	36.948606
"836250"	567.163806	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-2H+K"	36.948606
"1555768"	567.163806	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+K-2H"	36.948606
"945798"	575.213394	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-H+HCOOH"	44.998194
"367297"	1105.428601	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+HCOOH-H"	44.998201
"346800"	1119.444251	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+Hac-H"	59.013851
"1498189"	589.229051	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Hac-H"	59.013851
"966460"	597.195351	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-H+NaCOOH"	66.980151
"118647"	565.184602	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+2Cl"	69.938804
"559302"	830.292202	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+2Cl"	69.938804
"1026278"	300.077002	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2Cl"	69.938804
"1245857"	609.134085	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Br"	78.918885
"1304375"	611.190072	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Cl+HCOOH"	80.974872
"1320697"	633.172029	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Cl+NaCOOH"	102.956829
"913220"	643.200786	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M-H+CF3COOH"	112.985586
"1289929"	679.177464	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Cl+CF3COOH"	148.962264
"1371374"	495.202524	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H-2H2O"	-35.012676
"1384493"	513.2125	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H-H2O"	-17.0027
"289651"	1061.437676	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+H"	1.007276
"685352"	1591.652876	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+H"	1.007276
"1363888"	531.222476	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H"	1.007276
"137873"	531.222476	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+2H"	2.014552
"579620"	796.330076	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+2H"	2.014552
"1049149"	266.114876	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2H"	2.014552
"217417"	354.484076	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+3H"	3.021828
"658803"	531.222476	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+3H"	3.021828
"1178396"	177.745676	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+3H"	3.021828
"439599"	1078.464223	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+NH4"	18.033823
"799010"	1608.679423	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+NH4"	18.033823
"1696071"	548.249023	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+NH4"	18.033823
"344713"	539.7357495	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+H+NH4"	19.041099
"734219"	804.8433495	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+H+NH4"	19.041099
"1490228"	274.6281495	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H+NH4"	19.041099
"405625"	1083.419618	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+Na"	22.989218
"760062"	1613.634818	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+Na"	22.989218
"1609258"	553.204418	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Na"	22.989218
"319299"	542.213447	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+H+Na"	23.996494
"718282"	807.321047	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+H+Na"	23.996494
"1471008"	277.105847	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H+Na"	23.996494
"1057692"	185.07299	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2H+Na"	25.00377
"1268118"	563.248686	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+CH3OH+H"	33.033486
"387787"	1099.393558	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+K"	38.963158
"745503"	1629.608758	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+K"	38.963158
"1553753"	569.178358	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+K"	38.963158
"311661"	550.200417	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+H+K"	39.970434
"704447"	815.308017	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+H+K"	39.970434
"1457172"	285.092817	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H+K"	39.970434
"246136"	1102.464226	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+ACN+H"	42.033826
"1215565"	572.249026	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+ACN+H"	42.033826
"1199449"	286.628151	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+ACN+2H"	43.041102
"194506"	1105.40156	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+2Na-H"	44.97116
"635155"	1635.61676	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+2Na-H"	44.97116
"1137933"	575.18636	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2Na-H"	44.97116
"180860"	553.204418	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+2Na"	45.978436
"622606"	818.312018	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+2Na"	45.978436
"1123933"	288.096818	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2Na"	45.978436
"1410744"	192.400304	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H+2Na"	46.985712
"1434840"	577.227946	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H+HCOOH"	47.012746
"224900"	558.23744	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+3H2O+2H"	56.04448
"1510045"	591.27999	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+IsoProp+H"	61.06479
"411555"	561.191388	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+Na+K"	61.952376
"781300"	826.298988	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+Na+K"	61.952376
"1672163"	296.083788	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Na+K"	61.952376
"258682"	1124.446168	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+ACN+Na"	64.015768
"1233578"	594.230968	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+ACN+Na"	64.015768
"1724652"	594.254493	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+NH4+HCOOH"	64.039293
"1183445"	199.727618	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+3Na"	68.967654
"1658806"	599.209888	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Na+HCOOH"	68.994688
"159590"	1137.34944	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+2K-H"	76.91904
"603040"	1667.56464	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+2K-H"	76.91904
"1091931"	607.13424	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2K-H"	76.91904
"146559"	569.178358	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"2M+2K"	77.926316
"585025"	834.285958	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"3M+2K"	77.926316
"1070626"	304.070758	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2K"	77.926316
"1102379"	609.148792	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2K+H"	78.933592
"1340228"	609.236407	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+DMSO+H"	79.021207
"1009851"	613.275576	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2ACN+H"	83.060376
"1524525"	614.269208	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+IsoProp+Na+H"	84.054008
"991265"	307.141426	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+2ACN+2H"	84.067652
"1598772"	615.183828	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+K+HCOOH"	84.968628
"1424431"	645.215338	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+H+CF3COOH"	115.000138
"1156911"	327.654701	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+3ACN+2H"	125.094202
"1706461"	662.241885	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+NH4+CF3COOH"	132.026685
"1649404"	667.19728	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+Na+CF3COOH"	136.98208
"1577764"	683.17122	"C17816"	"Gomisin D"	"C28H34O10"	"530.2152"	"M+K+CF3COOH"	152.95602
"805942"	514.2203	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M"	0
"988225"	495.20191	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-H2O-H"	-19.01839
"68813"	341.806257333333	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M-3H"	-3.021828
"506185"	513.213024	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M-3H"	-3.021828
"882160"	170.399490666667	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-3H"	-3.021828
"5108"	513.213024	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M-2H"	-2.014552
"442484"	770.323174	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M-2H"	-2.014552
"819922"	256.102874	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-2H"	-2.014552
"84286"	1027.433324	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M-H"	-1.007276
"519473"	1541.653624	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M-H"	-1.007276
"900558"	513.213024	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-H"	-1.007276
"51650"	1044.459871	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M-2H+NH4"	16.019271
"494489"	1558.680171	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M-2H+NH4"	16.019271
"869011"	530.239571	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-2H+NH4"	16.019271
"31593"	1049.415266	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M-2H+Na"	20.974666
"471505"	1563.635566	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M-2H+Na"	20.974666
"854280"	535.194966	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-2H+Na"	20.974666
"1619803"	535.194966	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Na-2H"	20.974666
"95966"	531.201363	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M-H+Cl"	33.962126
"537725"	788.311513	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M-H+Cl"	33.962126
"927956"	274.091213	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-H+Cl"	33.962126
"268457"	1063.410002	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+Cl"	34.969402
"662580"	1577.630302	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+Cl"	34.969402
"1273524"	549.189702	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Cl"	34.969402
"20091"	1065.389206	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M-2H+K"	36.948606
"460018"	1579.609506	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M-2H+K"	36.948606
"838548"	551.168906	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-2H+K"	36.948606
"1558025"	551.168906	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+K-2H"	36.948606
"945908"	559.218494	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-H+HCOOH"	44.998194
"365221"	1073.438801	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+HCOOH-H"	44.998201
"345705"	1087.454451	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+Hac-H"	59.013851
"1497933"	573.234151	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Hac-H"	59.013851
"966570"	581.200451	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-H+NaCOOH"	66.980151
"116571"	549.189702	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+2Cl"	69.938804
"559413"	806.299852	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+2Cl"	69.938804
"1028212"	292.079552	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2Cl"	69.938804
"1248884"	593.139185	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Br"	78.918885
"1305497"	595.195172	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Cl+HCOOH"	80.974872
"1321292"	617.177129	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Cl+NaCOOH"	102.956829
"914423"	627.205886	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M-H+CF3COOH"	112.985586
"1289672"	663.182564	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Cl+CF3COOH"	148.962264
"1368439"	479.207624	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H-2H2O"	-35.012676
"1387153"	497.2176	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H-H2O"	-17.0027
"288668"	1029.447876	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+H"	1.007276
"683274"	1543.668176	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+H"	1.007276
"1359623"	515.227576	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H"	1.007276
"138350"	515.227576	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+2H"	2.014552
"579002"	772.337726	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+2H"	2.014552
"1047437"	258.117426	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2H"	2.014552
"215341"	343.820809333333	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+3H"	3.021828
"656725"	515.227576	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+3H"	3.021828
"1176310"	172.414042666667	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+3H"	3.021828
"438490"	1046.474423	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+NH4"	18.033823
"798756"	1560.694723	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+NH4"	18.033823
"1695693"	532.254123	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+NH4"	18.033823
"343728"	523.7408495	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+H+NH4"	19.041099
"736151"	780.8509995	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+H+NH4"	19.041099
"1488148"	266.6306995	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H+NH4"	19.041099
"405371"	1051.429818	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+Na"	22.989218
"757985"	1565.650118	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+Na"	22.989218
"1610461"	537.209518	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Na"	22.989218
"320502"	526.218547	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+H+Na"	23.996494
"718392"	783.328697	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+H+Na"	23.996494
"1468931"	269.108397	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H+Na"	23.996494
"1057802"	179.741356666667	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2H+Na"	25.00377
"1268228"	547.253786	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+CH3OH+H"	33.033486
"384617"	1067.403758	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+K"	38.963158
"745613"	1581.624058	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+K"	38.963158
"1550947"	553.183458	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+K"	38.963158
"310311"	534.205517	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+H+K"	39.970434
"703826"	791.315667	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+H+K"	39.970434
"1455094"	277.095367	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H+K"	39.970434
"242966"	1070.474426	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+ACN+H"	42.033826
"1214582"	556.254126	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+ACN+H"	42.033826
"1197373"	278.630701	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+ACN+2H"	43.041102
"192430"	1073.41176	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+2Na-H"	44.97116
"635265"	1587.63206	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+2Na-H"	44.97116
"1137679"	559.19146	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2Na-H"	44.97116
"180970"	537.209518	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+2Na"	45.978436
"618708"	794.319668	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+2Na"	45.978436
"1121857"	280.099368	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2Na"	45.978436
"1410854"	187.068670666667	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H+2Na"	46.985712
"1434950"	561.233046	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H+HCOOH"	47.012746
"223915"	542.24254	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+3H2O+2H"	56.04448
"1514163"	575.28509	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+IsoProp+H"	61.06479
"410572"	545.196488	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+Na+K"	61.952376
"772659"	802.306638	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+Na+K"	61.952376
"1672273"	288.086338	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Na+K"	61.952376
"256605"	1092.456368	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+ACN+Na"	64.015768
"1234782"	578.236068	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+ACN+Na"	64.015768
"1722575"	578.259593	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+NH4+HCOOH"	64.039293
"1182462"	194.395984666667	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+3Na"	68.967654
"1658916"	583.214988	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Na+HCOOH"	68.994688
"159216"	1105.35964	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+2K-H"	76.91904
"603151"	1619.57994	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+2K-H"	76.91904
"1092042"	591.13934	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2K-H"	76.91904
"145576"	553.183458	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"2M+2K"	77.926316
"582949"	810.293608	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"3M+2K"	77.926316
"1069160"	296.073308	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2K"	77.926316
"1100221"	593.153892	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2K+H"	78.933592
"1339243"	593.241507	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+DMSO+H"	79.021207
"1008868"	597.280676	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2ACN+H"	83.060376
"1524478"	598.274308	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+IsoProp+Na+H"	84.054008
"990084"	299.143976	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+2ACN+2H"	84.067652
"1594511"	599.188928	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+K+HCOOH"	84.968628
"1424541"	629.220438	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+H+CF3COOH"	115.000138
"1158114"	319.657251	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+3ACN+2H"	125.094202
"1703291"	646.246985	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+NH4+CF3COOH"	132.026685
"1646599"	651.20238	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+Na+CF3COOH"	136.98208
"1584435"	667.17632	"C17817"	"Gomisin E"	"C28H34O9"	"514.2203"	"M+K+CF3COOH"	152.95602
"804959"	514.2203	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M"	0
"986148"	495.20191	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-H2O-H"	-19.01839
"68923"	341.806257333333	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M-3H"	-3.021828
"509575"	513.213024	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M-3H"	-3.021828
"885186"	170.399490666667	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-3H"	-3.021828
"7040"	513.213024	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M-2H"	-2.014552
"448790"	770.323174	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M-2H"	-2.014552
"823312"	256.102874	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-2H"	-2.014552
"89864"	1027.433324	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M-H"	-1.007276
"525051"	1541.653624	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M-H"	-1.007276
"903947"	513.213024	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-H"	-1.007276
"56135"	1044.459871	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M-2H+NH4"	16.019271
"495694"	1558.680171	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M-2H+NH4"	16.019271
"877387"	530.239571	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-2H+NH4"	16.019271
"33746"	1049.415266	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M-2H+Na"	20.974666
"474400"	1563.635566	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M-2H+Na"	20.974666
"856577"	535.194966	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-2H+Na"	20.974666
"1625016"	535.194966	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Na-2H"	20.974666
"97171"	531.201363	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M-H+Cl"	33.962126
"540017"	788.311513	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M-H+Cl"	33.962126
"935720"	274.091213	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-H+Cl"	33.962126
"270997"	1063.410002	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+Cl"	34.969402
"662690"	1577.630302	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+Cl"	34.969402
"1279467"	549.189702	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Cl"	34.969402
"20202"	1065.389206	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M-2H+K"	36.948606
"460857"	1579.609506	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M-2H+K"	36.948606
"837930"	551.168906	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-2H+K"	36.948606
"1562511"	551.168906	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+K-2H"	36.948606
"949303"	559.218494	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-H+HCOOH"	44.998194
"366057"	1073.438801	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+HCOOH-H"	44.998201
"350670"	1087.454451	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+Hac-H"	59.013851
"1501328"	573.234151	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Hac-H"	59.013851
"968868"	581.200451	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-H+NaCOOH"	66.980151
"119603"	549.189702	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+2Cl"	69.938804
"563172"	806.299852	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+2Cl"	69.938804
"1034156"	292.079552	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2Cl"	69.938804
"1252276"	593.139185	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Br"	78.918885
"1305973"	595.195172	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Cl+HCOOH"	80.974872
"1322377"	617.177129	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Cl+NaCOOH"	102.956829
"915261"	627.205886	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M-H+CF3COOH"	112.985586
"1289539"	663.182564	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Cl+CF3COOH"	148.962264
"1369767"	479.207624	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H-2H2O"	-35.012676
"1385805"	497.2176	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H-H2O"	-17.0027
"294245"	1029.447876	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+H"	1.007276
"687759"	1543.668176	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+H"	1.007276
"1365201"	515.227576	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H"	1.007276
"138089"	515.227576	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+2H"	2.014552
"579841"	772.337726	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+2H"	2.014552
"1048641"	258.117426	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2H"	2.014552
"216539"	343.820809333333	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+3H"	3.021828
"656106"	515.227576	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+3H"	3.021828
"1177149"	172.414042666667	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+3H"	3.021828
"438599"	1046.474423	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+NH4"	18.033823
"799595"	1560.694723	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+NH4"	18.033823
"1693736"	532.254123	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+NH4"	18.033823
"340922"	523.7408495	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+H+NH4"	19.041099
"735167"	780.8509995	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+H+NH4"	19.041099
"1491175"	266.6306995	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H+NH4"	19.041099
"403659"	1051.429818	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+Na"	22.989218
"758097"	1565.650118	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+Na"	22.989218
"1608388"	537.209518	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Na"	22.989218
"320613"	526.218547	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+H+Na"	23.996494
"719595"	783.328697	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+H+Na"	23.996494
"1469041"	269.108397	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H+Na"	23.996494
"1057912"	179.741356666667	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2H+Na"	25.00377
"1260318"	547.253786	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+CH3OH+H"	33.033486
"382540"	1067.403758	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+K"	38.963158
"742441"	1581.624058	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+K"	38.963158
"1551057"	553.183458	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+K"	38.963158
"307141"	534.205517	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+H+K"	39.970434
"702841"	791.315667	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+H+K"	39.970434
"1452288"	277.095367	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H+K"	39.970434
"241982"	1070.474426	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+ACN+H"	42.033826
"1214691"	556.254126	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+ACN+H"	42.033826
"1198576"	278.630701	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+ACN+2H"	43.041102
"192540"	1073.41176	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+2Na-H"	44.97116
"635378"	1587.63206	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+2Na-H"	44.97116
"1138882"	559.19146	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2Na-H"	44.97116
"181080"	537.209518	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+2Na"	45.978436
"619911"	794.319668	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+2Na"	45.978436
"1123060"	280.099368	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2Na"	45.978436
"1411330"	187.068670666667	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H+2Na"	46.985712
"1434696"	561.233046	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H+HCOOH"	47.012746
"226211"	542.24254	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+3H2O+2H"	56.04448
"1514273"	575.28509	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+IsoProp+H"	61.06479
"412868"	545.196488	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+Na+K"	61.952376
"772039"	802.306638	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+Na+K"	61.952376
"1669103"	288.086338	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Na+K"	61.952376
"256715"	1092.456368	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+ACN+Na"	64.015768
"1232705"	578.236068	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+ACN+Na"	64.015768
"1716124"	578.259593	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+NH4+HCOOH"	64.039293
"1182571"	194.395984666667	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+3Na"	68.967654
"1659026"	583.214988	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Na+HCOOH"	68.994688
"161512"	1105.35964	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+2K-H"	76.91904
"604350"	1619.57994	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+2K-H"	76.91904
"1089960"	591.13934	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2K-H"	76.91904
"144587"	553.183458	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"2M+2K"	77.926316
"584147"	810.293608	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"3M+2K"	77.926316
"1070846"	296.073308	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2K"	77.926316
"1104054"	593.153892	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2K+H"	78.933592
"1336194"	593.241507	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+DMSO+H"	79.021207
"1008977"	597.280676	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2ACN+H"	83.060376
"1524423"	598.274308	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+IsoProp+Na+H"	84.054008
"990630"	299.143976	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+2ACN+2H"	84.067652
"1587438"	599.188928	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+K+HCOOH"	84.968628
"1419184"	629.220438	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+H+CF3COOH"	115.000138
"1158224"	319.657251	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+3ACN+2H"	125.094202
"1703401"	646.246985	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+NH4+CF3COOH"	132.026685
"1646709"	651.20238	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+Na+CF3COOH"	136.98208
"1584545"	667.17632	"C17818"	"Gomisin F"	"C28H34O9"	"514.2203"	"M+K+CF3COOH"	152.95602
"811629"	536.2046	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M"	0
"988445"	517.18621	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-H2O-H"	-19.01839
"72313"	356.462457333333	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M-3H"	-3.021828
"508591"	535.197324	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M-3H"	-3.021828
"884204"	177.727590666667	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-3H"	-3.021828
"3870"	535.197324	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M-2H"	-2.014552
"445620"	803.299624	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M-2H"	-2.014552
"822331"	267.095024	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-2H"	-2.014552
"85599"	1071.401924	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M-H"	-1.007276
"522975"	1607.606524	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M-H"	-1.007276
"901871"	535.197324	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-H"	-1.007276
"55153"	1088.428471	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M-2H+NH4"	16.019271
"499818"	1624.633071	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M-2H+NH4"	16.019271
"877620"	552.223871	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-2H+NH4"	16.019271
"33856"	1093.383866	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M-2H+Na"	20.974666
"473171"	1629.588466	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M-2H+Na"	20.974666
"856687"	557.179266	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-2H+Na"	20.974666
"1627313"	557.179266	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Na-2H"	20.974666
"100561"	553.185663	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M-H+Cl"	33.962126
"541220"	821.287963	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M-H+Cl"	33.962126
"935828"	285.083363	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-H+Cl"	33.962126
"272201"	1107.378602	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+Cl"	34.969402
"666080"	1643.583202	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+Cl"	34.969402
"1279577"	571.174002	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Cl"	34.969402
"21405"	1109.357806	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M-2H+K"	36.948606
"462426"	1645.562406	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M-2H+K"	36.948606
"839135"	573.153206	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-2H+K"	36.948606
"1561529"	573.153206	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+K-2H"	36.948606
"949413"	581.202794	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-H+HCOOH"	44.998194
"366895"	1117.407401	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+HCOOH-H"	44.998201
"353697"	1131.423051	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+Hac-H"	59.013851
"1502897"	595.218451	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Hac-H"	59.013851
"972992"	603.184751	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-H+NaCOOH"	66.980151
"122628"	571.174002	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+2Cl"	69.938804
"561825"	839.276302	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+2Cl"	69.938804
"1034266"	303.071702	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2Cl"	69.938804
"1254573"	615.123485	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Br"	78.918885
"1305355"	617.179472	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Cl+HCOOH"	80.974872
"1322487"	639.161429	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Cl+NaCOOH"	102.956829
"912822"	649.190186	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M-H+CF3COOH"	112.985586
"1289528"	685.166864	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Cl+CF3COOH"	148.962264
"1369149"	501.191924	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H-2H2O"	-35.012676
"1385190"	519.2019	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H-H2O"	-17.0027
"294355"	1073.416476	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+H"	1.007276
"687869"	1609.621076	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+H"	1.007276
"1366960"	537.211876	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H"	1.007276
"139293"	537.211876	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+2H"	2.014552
"578858"	805.314176	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+2H"	2.014552
"1048751"	269.109576	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2H"	2.014552
"219201"	358.477009333333	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+3H"	3.021828
"651840"	537.211876	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+3H"	3.021828
"1176531"	179.742142666667	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+3H"	3.021828
"436888"	1090.443023	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+NH4"	18.033823
"798979"	1626.647623	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+NH4"	18.033823
"1691660"	554.238423	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+NH4"	18.033823
"343950"	545.7251495	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+H+NH4"	19.041099
"738033"	813.8274495	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+H+NH4"	19.041099
"1491652"	277.6228495	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H+NH4"	19.041099
"405959"	1095.398418	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+Na"	22.989218
"755292"	1631.603018	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+Na"	22.989218
"1607405"	559.193818	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Na"	22.989218
"321816"	548.202847	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+H+Na"	23.996494
"718611"	816.305147	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+H+Na"	23.996494
"1465871"	280.100547	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H+Na"	23.996494
"1055106"	187.069456666667	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2H+Na"	25.00377
"1258118"	569.238086	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+CH3OH+H"	33.033486
"382650"	1111.372358	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+K"	38.963158
"741092"	1647.576958	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+K"	38.963158
"1547887"	575.167758	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+K"	38.963158
"307251"	556.189817	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+H+K"	39.970434
"700764"	824.292117	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+H+K"	39.970434
"1457137"	288.087517	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H+K"	39.970434
"243185"	1114.443026	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+ACN+H"	42.033826
"1214072"	578.238426	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+ACN+H"	42.033826
"1200873"	289.622851	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+ACN+2H"	43.041102
"194107"	1117.38036	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+2Na-H"	44.97116
"635124"	1653.58496	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+2Na-H"	44.97116
"1140448"	581.17576	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2Na-H"	44.97116
"183376"	559.193818	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+2Na"	45.978436
"621478"	827.296118	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+2Na"	45.978436
"1128637"	291.091518	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2Na"	45.978436
"1412051"	194.396770666667	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H+2Na"	46.985712
"1435535"	583.217346	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H+HCOOH"	47.012746
"227416"	564.22684	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+3H2O+2H"	56.04448
"1519850"	597.26939	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+IsoProp+H"	61.06479
"412978"	567.180788	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+Na+K"	61.952376
"776158"	835.283088	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+Na+K"	61.952376
"1671396"	299.078488	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Na+K"	61.952376
"255000"	1136.424968	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+ACN+Na"	64.015768
"1231721"	600.220368	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+ACN+Na"	64.015768
"1715140"	600.243893	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+NH4+HCOOH"	64.039293
"1183773"	201.724084666667	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+3Na"	68.967654
"1656950"	605.199288	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Na+HCOOH"	68.994688
"163809"	1149.32824	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+2K-H"	76.91904
"605554"	1685.53284	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+2K-H"	76.91904
"1086789"	613.12364	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2K-H"	76.91904
"143240"	575.167758	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"2M+2K"	77.926316
"586443"	843.270058	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"3M+2K"	77.926316
"1072051"	307.065458	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2K"	77.926316
"1105260"	615.138192	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2K+H"	78.933592
"1337277"	615.225807	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+DMSO+H"	79.021207
"1007994"	619.264976	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2ACN+H"	83.060376
"1525385"	620.258608	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+IsoProp+Na+H"	84.054008
"991472"	310.136126	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+2ACN+2H"	84.067652
"1587551"	621.173228	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+K+HCOOH"	84.968628
"1418199"	651.204738	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+H+CF3COOH"	115.000138
"1148850"	330.649401	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+3ACN+2H"	125.094202
"1700228"	668.231285	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+NH4+CF3COOH"	132.026685
"1646819"	673.18668	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+Na+CF3COOH"	136.98208
"1584655"	689.16062	"C17819"	"Gomisin G"	"C30H32O9"	"536.2046"	"M+K+CF3COOH"	152.95602
"805179"	418.1992	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M"	0
"989163"	399.18081	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-H2O-H"	-19.01839
"73516"	277.792190666667	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M-3H"	-3.021828
"508701"	417.191924	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M-3H"	-3.021828
"886501"	138.392457333333	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-3H"	-3.021828
"8355"	417.191924	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M-2H"	-2.014552
"446825"	626.291524	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M-2H"	-2.014552
"821347"	208.092324	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-2H"	-2.014552
"85711"	835.391124	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M-H"	-1.007276
"523086"	1253.590324	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M-H"	-1.007276
"901983"	417.191924	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-H"	-1.007276
"56357"	852.417671	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M-2H+NH4"	16.019271
"499564"	1270.616871	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M-2H+NH4"	16.019271
"878460"	434.218471	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-2H+NH4"	16.019271
"33115"	857.373066	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M-2H+Na"	20.974666
"475715"	1275.572266	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M-2H+Na"	20.974666
"856797"	439.173866	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-2H+Na"	20.974666
"1624143"	439.173866	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Na-2H"	20.974666
"100671"	435.180263	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M-H+Cl"	33.962126
"541329"	644.279863	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M-H+Cl"	33.962126
"939218"	226.080663	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-H+Cl"	33.962126
"277778"	871.367802	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+Cl"	34.969402
"665828"	1289.567002	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+Cl"	34.969402
"1280420"	453.168602	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Cl"	34.969402
"21882"	873.347006	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M-2H+K"	36.948606
"462536"	1291.546206	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M-2H+K"	36.948606
"840339"	455.147806	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-2H+K"	36.948606
"1564919"	455.147806	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+K-2H"	36.948606
"951710"	463.197394	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-H+HCOOH"	44.998194
"369923"	881.396601	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+HCOOH-H"	44.998201
"356722"	895.412251	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+Hac-H"	59.013851
"1507382"	477.213051	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Hac-H"	59.013851
"973223"	485.179351	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-H+NaCOOH"	66.980151
"124197"	453.168602	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+2Cl"	69.938804
"564487"	662.268202	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+2Cl"	69.938804
"1032554"	244.069002	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2Cl"	69.938804
"1254684"	497.118085	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Br"	78.918885
"1318224"	499.174072	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Cl+HCOOH"	80.974872
"1333536"	521.156029	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Cl+NaCOOH"	102.956829
"912932"	531.184786	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M-H+CF3COOH"	112.985586
"1288910"	567.161464	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Cl+CF3COOH"	148.962264
"1370718"	383.186524	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H-2H2O"	-35.012676
"1386029"	401.1965	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H-H2O"	-17.0027
"294465"	837.405676	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+H"	1.007276
"690410"	1255.604876	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+H"	1.007276
"1365787"	419.206476	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H"	1.007276
"140136"	419.206476	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+2H"	2.014552
"579940"	628.306076	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+2H"	2.014552
"1049954"	210.106876	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2H"	2.014552
"217855"	279.806742666667	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+3H"	3.021828
"651951"	419.206476	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+3H"	3.021828
"1177008"	140.407009333333	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+3H"	3.021828
"438824"	854.432223	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+NH4"	18.033823
"800547"	1272.631423	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+NH4"	18.033823
"1693957"	436.233023	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+NH4"	18.033823
"345034"	427.7197495	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+H+NH4"	19.041099
"737577"	636.8193495	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+H+NH4"	19.041099
"1489214"	218.6201495	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H+NH4"	19.041099
"404974"	859.387618	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+Na"	22.989218
"757223"	1277.586818	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+Na"	22.989218
"1607515"	441.188418	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Na"	22.989218
"321926"	430.197447	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+H+Na"	23.996494
"717628"	639.297047	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+H+Na"	23.996494
"1464888"	221.097847	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H+Na"	23.996494
"1054852"	147.734323333333	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2H+Na"	25.00377
"1257985"	451.232686	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+CH3OH+H"	33.033486
"382760"	875.361558	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+K"	38.963158
"740474"	1293.560758	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+K"	38.963158
"1544715"	457.162358	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+K"	38.963158
"310641"	438.184417	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+H+K"	39.970434
"700874"	647.284017	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+H+K"	39.970434
"1455788"	229.084817	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H+K"	39.970434
"248398"	878.432226	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+ACN+H"	42.033826
"1214912"	460.233026	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+ACN+H"	42.033826
"1199160"	230.620151	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+ACN+2H"	43.041102
"196039"	881.36956	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+2Na-H"	44.97116
"638877"	1299.56876	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+2Na-H"	44.97116
"1141286"	463.17036	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2Na-H"	44.97116
"182756"	441.188418	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+2Na"	45.978436
"625231"	650.288018	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+2Na"	45.978436
"1126560"	232.088818	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2Na"	45.978436
"1413620"	155.061637333333	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H+2Na"	46.985712
"1438195"	465.211946	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H+HCOOH"	47.012746
"232993"	446.22144	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+3H2O+2H"	56.04448
"1521054"	479.26399	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+IsoProp+H"	61.06479
"415275"	449.175388	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+Na+K"	61.952376
"778455"	658.274988	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+Na+K"	61.952376
"1676974"	240.075788	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Na+K"	61.952376
"257662"	900.414168	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+ACN+Na"	64.015768
"1235111"	482.214968	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+ACN+Na"	64.015768
"1718530"	482.238493	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+NH4+HCOOH"	64.039293
"1186071"	162.388951333333	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+3Na"	68.967654
"1655965"	487.193888	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Na+HCOOH"	68.994688
"166105"	913.31744	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+2K-H"	76.91904
"607850"	1331.51664	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+2K-H"	76.91904
"1089813"	495.11824	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2K-H"	76.91904
"145901"	457.162358	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"2M+2K"	77.926316
"586555"	666.261958	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"3M+2K"	77.926316
"1073257"	248.062758	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2K"	77.926316
"1105373"	497.132792	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2K+H"	78.933592
"1338475"	497.220407	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+DMSO+H"	79.021207
"1009197"	501.259576	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2ACN+H"	83.060376
"1525374"	502.253208	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+IsoProp+Na+H"	84.054008
"993768"	251.133426	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+2ACN+2H"	84.067652
"1589363"	503.167828	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+K+HCOOH"	84.968628
"1418309"	533.199338	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+H+CF3COOH"	115.000138
"1148593"	271.646701	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+3ACN+2H"	125.094202
"1702525"	550.225885	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+NH4+CF3COOH"	132.026685
"1646929"	555.18128	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+Na+CF3COOH"	136.98208
"1584765"	571.15522	"C17820"	"Gomisin H"	"C23H30O7"	"418.1992"	"M+K+CF3COOH"	152.95602
"805289"	208.1099	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M"	0
"986478"	189.09151	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"72533"	137.732657333333	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"505531"	207.102624	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"886611"	68.3626906666667	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"10652"	207.102624	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"445841"	311.157574	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"820364"	103.047674	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"82541"	415.212524	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"521010"	623.322424	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"899906"	207.102624	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"52093"	432.239071	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"498215"	640.348971	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"875653"	224.129171	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"34076"	437.194466	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"475825"	645.304366	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"859094"	229.084566	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1624253"	229.084566	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"100781"	225.090963	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"540346"	329.145913	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"939329"	121.036013	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"276792"	451.189202	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"665937"	659.299102	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1280530"	243.079302	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"27459"	453.168406	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"463739"	661.278306	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"841543"	245.058506	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1565029"	245.058506	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"952913"	253.108094	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"370033"	461.218001	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"358290"	475.233651	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1506034"	267.123751	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"971387"	275.090051	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"125524"	243.079302	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"564595"	347.134252	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1029749"	139.024352	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1255159"	287.028785	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1311772"	289.084772	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1328175"	311.066729	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"914129"	321.095486	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1288774"	357.072164	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1368641"	173.097224	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1389420"	191.1072	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"297858"	417.227076	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"690522"	625.336976	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1366505"	209.117176	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"140732"	209.117176	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"579441"	313.172126	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1051159"	105.062226	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"217599"	139.747209333333	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"652061"	209.117176	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1177361"	70.3772426666667	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"438812"	434.253623	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"800294"	642.363523	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1695162"	226.143723	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"343929"	217.6304495	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"736229"	321.6853995	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1488231"	113.5754995	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"404721"	439.209018	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"755874"	647.318918	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1607625"	231.099118	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"320943"	220.108147	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"716645"	324.163097	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1464998"	116.053197	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1054233"	77.7045566666667	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1257487"	241.143386	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"381777"	455.182958	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"739001"	663.292858	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1548105"	247.073058	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"313303"	228.095117	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"706089"	332.150067	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1456994"	124.040167	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"247779"	458.253626	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1218301"	250.143726	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1198906"	125.575501	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"195419"	461.19096	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"638258"	669.30086	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1141400"	253.08106	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"177402"	231.099118	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"617692"	335.154068	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1125577"	127.044168	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1413976"	85.0318706666667	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1435755"	255.122646	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"232010"	236.13214	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1523884"	269.17469	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"413562"	239.086088	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"777473"	343.141038	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1677084"	135.031138	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"260324"	480.235568	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1235221"	272.125668	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1719003"	272.149193	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1186181"	92.3591846666667	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1654253"	277.104588	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"162935"	493.13884	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"604682"	701.24874	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1088830"	285.02894	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"143459"	247.073058	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"587758"	351.128008	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1077738"	143.018108	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1107668"	287.043492	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1337490"	287.131107	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1010400"	291.170276	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1525484"	292.163908	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"993878"	146.088776	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1588380"	293.078528	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1416229"	323.110038	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1149431"	166.602051	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1701542"	340.136585	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1647039"	345.09198	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1584875"	361.06592	"C17821"	"245-Trimethoxy-1-allylbenzene;gamma-Asarone"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"808679"	182.0943	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M"	0
"987682"	163.07591	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"75923"	120.388924	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"515483"	181.087024	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"888910"	59.690824	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"7484"	181.087024	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"445952"	272.134174	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"823754"	90.039874	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"84838"	363.181324	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"525494"	545.275624	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"905119"	181.087024	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"54390"	380.207871	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"500149"	562.302171	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"878073"	198.113571	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"37466"	385.163266	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"477028"	567.257566	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"860297"	203.068966	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1626551"	203.068966	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"101986"	199.075363	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"543737"	290.122513	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"939075"	108.028213	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"279090"	399.158002	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"664223"	581.252302	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1277720"	217.063702	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"18454"	401.137206	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"458381"	583.231506	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"841650"	219.042906	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1562951"	219.042906	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"948647"	227.092494	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"369050"	409.186801	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"355119"	423.202451	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1504318"	241.108151	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"969307"	249.074451	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"117123"	217.063702	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"558869"	308.110852	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1029855"	126.016552	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1244693"	261.013185	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1305322"	263.069172	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1322451"	285.051129	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"911604"	295.079886	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1288599"	331.056564	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1369473"	147.081624	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1389530"	165.0916	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"288122"	365.195876	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"690023"	547.290176	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1365644"	183.101576	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"141204"	183.101576	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"580529"	274.148726	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1051028"	92.054426	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"215889"	122.403476	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"652171"	183.101576	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1174682"	61.705376	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"437226"	382.222423	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"799553"	564.316723	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1694177"	200.128123	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"342458"	191.6148495	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"737312"	282.6619995	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1489796"	100.5676995	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"407505"	387.177818	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"756350"	569.272118	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1604455"	205.083518	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"318866"	194.092547	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"707266"	285.139697	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1461333"	103.045397	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1054100"	69.03269	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1257188"	215.127786	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"379700"	403.151758	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"738563"	585.246058	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1540925"	221.057458	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"304300"	202.079517	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"695628"	293.126667	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1448355"	111.032367	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"242422"	406.222426	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1217316"	224.128126	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1199016"	112.567701	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"194799"	409.15976	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"638002"	591.25406	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1140417"	227.06546	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"178606"	205.083518	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"618532"	296.130668	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1128846"	114.036368	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1412370"	76.360004	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1435867"	229.107046	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"229931"	210.11654	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1522617"	243.15909	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"419867"	213.070488	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"780864"	304.117638	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1677194"	122.023338	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"262621"	428.204368	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1236425"	246.110068	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1719844"	246.133593	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1185201"	83.687318	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1657642"	251.088988	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"163047"	441.10764	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"602607"	623.20194	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1087849"	259.01334	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"146122"	221.057458	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"585683"	312.104608	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1073479"	130.010308	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1107780"	261.027892	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1340881"	261.115507	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1006255"	265.154676	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1526447"	266.148308	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"990706"	133.080976	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1588611"	267.062928	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1416339"	297.094438	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1148815"	153.594251	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1700559"	314.120985	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1643868"	319.07638	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1578424"	335.05032	"C17822"	"345-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"814257"	182.0943	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M"	0
"986698"	163.07591	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"77128"	120.388924	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"516688"	181.087024	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"893396"	59.690824	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"13063"	181.087024	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"443876"	272.134174	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"823865"	90.039874	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"83856"	363.181324	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"532896"	545.275624	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"908874"	181.087024	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"59607"	380.207871	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"501235"	562.302171	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"878550"	198.113571	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"44137"	385.163266	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"484428"	567.257566	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"858221"	203.068966	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1629578"	203.068966	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"105378"	199.075363	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"543847"	290.122513	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"936268"	108.028213	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"279200"	399.158002	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"665061"	581.252302	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1279652"	217.063702	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"21479"	401.137206	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"459584"	583.231506	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"838480"	219.042906	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1561968"	219.042906	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"948758"	227.092494	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"370255"	409.186801	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"355231"	423.202451	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1505161"	241.108151	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"969419"	249.074451	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"122337"	217.063702	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"561168"	308.110852	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1026687"	126.016552	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1247358"	261.013185	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1306525"	263.069172	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1321103"	285.051129	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"911444"	295.079886	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1290693"	331.056564	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1369220"	147.081624	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1383321"	165.0916	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"290419"	365.195876	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"687215"	547.290176	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1364662"	183.101576	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"141184"	183.101576	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"581303"	274.148726	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1051989"	92.054426	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"217820"	122.403476	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"652281"	183.101576	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1176129"	61.705376	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"438670"	382.222423	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"800520"	564.316723	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1696114"	200.128123	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"344635"	191.6148495	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"738031"	282.6619995	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1491971"	100.5676995	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"407128"	387.177818	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"757553"	569.272118	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1604564"	205.083518	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"318976"	194.092547	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"707987"	285.139697	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1461851"	103.045397	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1053716"	69.03269	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1257948"	215.127786	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"378717"	403.151758	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"739101"	585.246058	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1546138"	221.057458	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"300763"	202.079517	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"699016"	293.126667	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1452835"	111.032367	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"245810"	406.222426	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1215241"	224.128126	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1201308"	112.567701	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"197459"	409.15976	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"637022"	591.25406	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1139434"	227.06546	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"176529"	205.083518	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"616091"	296.130668	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1127984"	114.036368	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1411508"	76.360004	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1431969"	229.107046	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"224942"	210.11654	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1517011"	243.15909	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"417789"	213.070488	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"783158"	304.117638	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1677303"	122.023338	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"261637"	428.204368	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1235440"	246.110068	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1719955"	246.133593	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1185673"	83.687318	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1658480"	251.088988	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"165342"	441.10764	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"605632"	623.20194	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1086137"	259.01334	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"145141"	221.057458	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"583607"	312.104608	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1079053"	130.010308	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1110075"	261.027892	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1340991"	261.115507	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1009525"	265.154676	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1526559"	266.148308	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"993003"	133.080976	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1587992"	267.062928	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1416449"	297.094438	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1150018"	153.594251	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1705042"	314.120985	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1649326"	319.07638	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1585095"	335.05032	"C17823"	"245-Trimethoxytoluene"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"805619"	166.0994	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M"	0
"987901"	147.08101	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"76874"	109.725657333333	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"517163"	165.092124	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"894236"	54.3591906666667	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"12809"	165.092124	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"446173"	248.141824	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"823975"	82.042424	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"83966"	331.191524	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"533618"	497.290924	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"909352"	165.092124	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"61418"	348.218071	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"502196"	514.317471	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"879025"	182.118671	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"43153"	353.173466	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"483445"	519.272866	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"858331"	187.074066	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1629689"	187.074066	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"105487"	183.080463	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"544686"	266.130163	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"936378"	100.030763	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"280403"	367.168202	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"662985"	533.267602	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1279762"	201.068802	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"23412"	369.147406	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"458235"	535.246806	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"838589"	203.048006	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1562078"	203.048006	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"949961"	211.097594	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"369272"	377.197001	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"357528"	391.212651	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1504905"	225.113251	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"970622"	233.079551	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"122815"	201.068802	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"561646"	284.118502	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1026797"	118.019102	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1247467"	245.018285	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1305053"	247.074272	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1320484"	269.056229	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"911543"	279.084986	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1288736"	315.061664	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1367869"	131.086724	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1383188"	149.0967	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"285061"	333.206076	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"680764"	499.305476	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1363308"	167.106676	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"132188"	167.106676	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"578310"	250.156376	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1050392"	84.056976	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"216106"	111.740209333333	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"653480"	167.106676	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1177939"	56.3737426666667	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"439348"	350.232623	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"800137"	516.332023	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1696223"	184.133223	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"344989"	175.6199495	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"738303"	258.6696495	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1491838"	92.5702495	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"405415"	355.188018	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"758754"	521.287418	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1605767"	189.088618	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"319086"	178.097647	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"707613"	261.147347	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1462409"	95.047947	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1054192"	63.7010566666667	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1258545"	199.132886	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"378098"	371.161958	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"740548"	537.261358	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1546248"	205.062558	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"304518"	186.084617	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"699126"	269.134317	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1452945"	103.034917	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"247013"	374.232626	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1217535"	208.133226	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1201418"	104.570251	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"193195"	377.16996	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"639315"	543.26936	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1140634"	211.07056	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"178460"	189.088618	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"619477"	272.138318	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1127001"	106.038918	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1406150"	71.0283706666667	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1436078"	213.112146	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"224689"	194.12164	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1514934"	227.16419	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"415714"	197.075588	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"781082"	280.125288	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1676320"	114.025888	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"263931"	396.214568	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1235549"	230.115168	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1722251"	230.138693	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1186512"	78.3556846666667	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1658590"	235.094088	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"167638"	409.11784	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"607564"	575.21724	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1088068"	243.01844	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"145250"	205.062558	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"586996"	288.112258	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1076977"	122.012858	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1110184"	245.032992	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1340009"	245.120607	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1009635"	249.159776	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1528855"	250.153408	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"994206"	125.083526	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1587738"	251.068028	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1416557"	281.099538	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1151221"	145.596801	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1700776"	298.126085	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1649193"	303.08148	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1585205"	319.05542	"C17824"	"(-)-Asarinol A"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"805729"	182.0943	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M"	0
"986918"	163.07591	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"78283"	120.388924	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"518171"	181.087024	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"894710"	59.690824	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"12919"	181.087024	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"446283"	272.134174	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"824085"	90.039874	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"84076"	363.181324	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"533405"	545.275624	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"910557"	181.087024	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"61649"	380.207871	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"502063"	562.302171	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"879135"	198.113571	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"43263"	385.163266	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"484648"	567.257566	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"859899"	203.068966	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1629798"	203.068966	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"105962"	199.075363	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"544796"	290.122513	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"932114"	108.028213	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"275045"	399.158002	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"662485"	581.252302	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1276593"	217.063702	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"21335"	401.137206	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"458344"	583.231506	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"835418"	219.042906	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1560001"	219.042906	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"951164"	227.092494	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"370475"	409.186801	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"356544"	423.202451	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1504651"	241.108151	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"971461"	249.074451	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"122196"	217.063702	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"561027"	308.110852	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1026907"	126.016552	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1247577"	261.013185	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1306013"	263.069172	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1320351"	285.051129	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"913475"	295.079886	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1289207"	331.056564	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1368339"	147.081624	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1384391"	165.0916	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"284318"	365.195876	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"679780"	547.290176	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1357221"	183.101576	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"130110"	183.101576	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"570764"	274.148726	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1046129"	92.054426	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"212936"	122.403476	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"652497"	183.101576	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1175738"	61.705376	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"437185"	382.222423	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"799273"	564.316723	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1693415"	200.128123	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"342789"	191.6148495	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"735940"	282.6619995	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1486846"	100.5676995	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"401151"	387.177818	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"756672"	569.272118	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1604418"	205.083518	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"315550"	194.092547	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"707848"	285.139697	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1462271"	103.045397	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1055032"	69.03269	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1257681"	215.127786	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"378568"	403.151758	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"740657"	585.246058	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1540641"	221.057458	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"302804"	202.079517	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"693038"	293.126667	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1447586"	111.032367	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"243843"	406.222426	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1216552"	224.128126	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1199341"	112.567701	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"191117"	409.15976	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"635052"	591.25406	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1134184"	227.06546	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"174438"	205.083518	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"617037"	296.130668	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1126017"	114.036368	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1403343"	76.360004	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1436186"	229.107046	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"224799"	210.11654	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1512857"	243.15909	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"415823"	213.070488	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"779005"	304.117638	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1677524"	122.023338	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"264042"	428.204368	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1235659"	246.110068	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1721268"	246.133593	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1185529"	83.687318	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1656513"	251.088988	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"162282"	441.10764	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"607309"	623.20194	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1085992"	259.01334	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"145360"	221.057458	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"583827"	312.104608	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1077087"	130.010308	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1109202"	261.027892	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1339026"	261.115507	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1007680"	265.154676	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1525197"	266.148308	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"992130"	133.080976	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1587967"	267.062928	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1415938"	297.094438	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1149145"	153.594251	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1700886"	314.120985	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1649302"	319.07638	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1585315"	335.05032	"C17825"	"(-)-Asarinol B"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"805839"	374.1729	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M"	0
"988121"	355.15451	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-H2O-H"	-19.01839
"77827"	248.441324	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M-3H"	-3.021828
"518318"	373.165624	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M-3H"	-3.021828
"894820"	123.717024	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-3H"	-3.021828
"13393"	373.165624	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M-2H"	-2.014552
"446393"	560.252074	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M-2H"	-2.014552
"827475"	186.079174	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-2H"	-2.014552
"86372"	747.338524	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M-H"	-1.007276
"533676"	1121.511424	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M-H"	-1.007276
"910301"	373.165624	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-H"	-1.007276
"60666"	764.365071	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M-2H+NH4"	16.019271
"502499"	1138.537971	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M-2H+NH4"	16.019271
"877298"	390.192171	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-2H+NH4"	16.019271
"42280"	769.320466	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M-2H+Na"	20.974666
"482570"	1143.493366	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M-2H+Na"	20.974666
"860374"	395.147566	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-2H+Na"	20.974666
"1632826"	395.147566	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Na-2H"	20.974666
"107895"	391.153963	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M-H+Cl"	33.962126
"544906"	578.240413	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M-H+Cl"	33.962126
"935504"	204.067513	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-H+Cl"	33.962126
"276977"	783.315202	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+Cl"	34.969402
"673045"	1157.488102	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+Cl"	34.969402
"1278889"	409.142302	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Cl"	34.969402
"22541"	785.294406	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M-2H+K"	36.948606
"461006"	1159.467306	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M-2H+K"	36.948606
"838811"	411.121506	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-2H+K"	36.948606
"1562298"	411.121506	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+K-2H"	36.948606
"953461"	419.171094	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-H+HCOOH"	44.998194
"373865"	793.344001	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+HCOOH-H"	44.998201
"355560"	807.359651	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+Hac-H"	59.013851
"1505488"	433.186751	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Hac-H"	59.013851
"971935"	441.153051	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-H+NaCOOH"	66.980151
"122670"	409.142302	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+2Cl"	69.938804
"562959"	596.228752	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+2Cl"	69.938804
"1027017"	222.055852	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2Cl"	69.938804
"1249874"	453.091785	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Br"	78.918885
"1306856"	455.147772	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Cl+HCOOH"	80.974872
"1321800"	477.129729	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Cl+NaCOOH"	102.956829
"912857"	487.158486	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M-H+CF3COOH"	112.985586
"1289441"	523.135164	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Cl+CF3COOH"	148.962264
"1368815"	339.160224	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H-2H2O"	-35.012676
"1386687"	357.1702	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H-H2O"	-17.0027
"286373"	749.353076	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+H"	1.007276
"676972"	1123.525976	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+H"	1.007276
"1357331"	375.180176	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H"	1.007276
"130219"	375.180176	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+2H"	2.014552
"571967"	562.266626	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+2H"	2.014552
"1044050"	188.093726	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2H"	2.014552
"214140"	250.455876	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+3H"	3.021828
"650420"	375.180176	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+3H"	3.021828
"1176577"	125.731576	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+3H"	3.021828
"438875"	766.379623	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+NH4"	18.033823
"800599"	1140.552523	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+NH4"	18.033823
"1695711"	392.206723	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+NH4"	18.033823
"343628"	383.6934495	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+H+NH4"	19.041099
"736779"	570.7798995	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+H+NH4"	19.041099
"1490237"	196.6069995	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H+NH4"	19.041099
"406365"	771.335018	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+Na"	22.989218
"756055"	1145.507918	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+Na"	22.989218
"1607080"	397.162118	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Na"	22.989218
"316025"	386.171147	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+H+Na"	23.996494
"711725"	573.257597	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+H+Na"	23.996494
"1464450"	199.084697	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H+Na"	23.996494
"1058788"	133.05889	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2H+Na"	25.00377
"1260467"	407.206386	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+CH3OH+H"	33.033486
"381231"	787.308958	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+K"	38.963158
"743320"	1161.481858	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+K"	38.963158
"1545373"	413.136058	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+K"	38.963158
"305829"	394.158117	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+H+K"	39.970434
"696064"	581.244567	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+H+K"	39.970434
"1455351"	207.071667	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H+K"	39.970434
"247233"	790.379626	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+ACN+H"	42.033826
"1216662"	416.206726	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+ACN+H"	42.033826
"1200543"	208.607001	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+ACN+2H"	43.041102
"193412"	793.31696	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+2Na-H"	44.97116
"637349"	1167.48986	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+2Na-H"	44.97116
"1139029"	419.14406	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2Na-H"	44.97116
"176493"	397.162118	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+2Na"	45.978436
"621518"	584.248568	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+2Na"	45.978436
"1126127"	210.075668	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2Na"	45.978436
"1403452"	140.386204	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H+2Na"	46.985712
"1436661"	421.185646	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H+HCOOH"	47.012746
"235644"	402.19514	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+3H2O+2H"	56.04448
"1515155"	435.23769	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+IsoProp+H"	61.06479
"417026"	405.149088	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+Na+K"	61.952376
"782396"	592.235538	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+Na+K"	61.952376
"1680793"	218.062638	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Na+K"	61.952376
"266338"	812.361568	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+ACN+Na"	64.015768
"1236862"	438.188668	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+ACN+Na"	64.015768
"1721378"	438.212193	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+NH4+HCOOH"	64.039293
"1186729"	147.713518	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+3Na"	68.967654
"1656621"	443.167588	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Na+HCOOH"	68.994688
"164576"	825.26484	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+2K-H"	76.91904
"605963"	1199.43774	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+2K-H"	76.91904
"1084763"	451.09194	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2K-H"	76.91904
"145467"	413.136058	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"2M+2K"	77.926316
"586122"	600.222508	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"3M+2K"	77.926316
"1079020"	226.049608	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2K"	77.926316
"1109314"	453.106492	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2K+H"	78.933592
"1337190"	453.194107	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+DMSO+H"	79.021207
"1008762"	457.233276	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2ACN+H"	83.060376
"1526888"	458.226908	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+IsoProp+Na+H"	84.054008
"994426"	229.120276	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+2ACN+2H"	84.067652
"1588199"	459.141528	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+K+HCOOH"	84.968628
"1414344"	489.173038	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+H+CF3COOH"	115.000138
"1149254"	249.633551	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+3ACN+2H"	125.094202
"1700267"	506.199585	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+NH4+CF3COOH"	132.026685
"1649291"	511.15498	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+Na+CF3COOH"	136.98208
"1585425"	527.12892	"C17826"	"Hexahydrocurcumin"	"C21H26O6"	"374.1729"	"M+K+CF3COOH"	152.95602
"805949"	289.2042	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M"	0
"987138"	270.18581	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-H2O-H"	-19.01839
"73196"	191.795524	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M-3H"	-3.021828
"516765"	288.196924	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M-3H"	-3.021828
"894202"	95.394124	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-3H"	-3.021828
"14598"	288.196924	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M-2H"	-2.014552
"447596"	432.799024	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M-2H"	-2.014552
"826492"	143.594824	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-2H"	-2.014552
"85390"	577.401124	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M-H"	-1.007276
"529328"	866.605324	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M-H"	-1.007276
"906764"	288.196924	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-H"	-1.007276
"58954"	594.427671	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M-2H+NH4"	16.019271
"498879"	883.631871	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M-2H+NH4"	16.019271
"875222"	305.223471	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-2H+NH4"	16.019271
"41662"	599.383066	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M-2H+Na"	20.974666
"482680"	888.587266	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M-2H+Na"	20.974666
"854289"	310.178866	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-2H+Na"	20.974666
"1622728"	310.178866	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Na-2H"	20.974666
"98162"	306.185263	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M-H+Cl"	33.962126
"539913"	450.787363	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M-H+Cl"	33.962126
"935614"	161.583163	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-H+Cl"	33.962126
"274171"	613.377802	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+Cl"	34.969402
"665503"	902.582002	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+Cl"	34.969402
"1275721"	324.173602	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Cl"	34.969402
"23746"	615.357006	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M-2H+K"	36.948606
"460026"	904.561206	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M-2H+K"	36.948606
"836734"	326.152806	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-2H+K"	36.948606
"1565688"	326.152806	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+K-2H"	36.948606
"949197"	334.202394	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-H+HCOOH"	44.998194
"370695"	623.406601	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+HCOOH-H"	44.998201
"356764"	637.422251	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+Hac-H"	59.013851
"1505233"	348.218051	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Hac-H"	59.013851
"972049"	356.184351	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-H+NaCOOH"	66.980151
"123873"	324.173602	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+2Cl"	69.938804
"562340"	468.775702	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+2Cl"	69.938804
"1027127"	179.571502	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2Cl"	69.938804
"1249985"	368.123085	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Br"	78.918885
"1306237"	370.179072	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Cl+HCOOH"	80.974872
"1322275"	392.161029	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Cl+NaCOOH"	102.956829
"911549"	402.189786	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M-H+CF3COOH"	112.985586
"1289799"	438.166464	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Cl+CF3COOH"	148.962264
"1368196"	254.191524	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H-2H2O"	-35.012676
"1385704"	272.2015	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H-H2O"	-17.0027
"283565"	579.415676	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+H"	1.007276
"675989"	868.619876	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+H"	1.007276
"1358534"	290.211476	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H"	1.007276
"130329"	290.211476	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+2H"	2.014552
"572077"	434.813576	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+2H"	2.014552
"1040880"	145.609376	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2H"	2.014552
"215343"	193.810076	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+3H"	3.021828
"651624"	290.211476	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+3H"	3.021828
"1174858"	97.408676	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+3H"	3.021828
"438135"	596.442223	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+NH4"	18.033823
"800222"	885.646423	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+NH4"	18.033823
"1695458"	307.238023	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+NH4"	18.033823
"343740"	298.7247495	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+H+NH4"	19.041099
"737618"	443.3268495	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+H+NH4"	19.041099
"1489983"	154.1226495	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H+NH4"	19.041099
"406839"	601.397618	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+Na"	22.989218
"756895"	890.601818	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+Na"	22.989218
"1604516"	312.193418	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Na"	22.989218
"315038"	301.202447	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+H+Na"	23.996494
"708676"	445.804547	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+H+Na"	23.996494
"1462008"	156.600347	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H+Na"	23.996494
"1056712"	104.73599	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2H+Na"	25.00377
"1259484"	322.237686	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+CH3OH+H"	33.033486
"380249"	617.371558	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+K"	38.963158
"739298"	906.575758	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+K"	38.963158
"1545484"	328.167358	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+K"	38.963158
"302295"	309.189417	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+H+K"	39.970434
"699455"	453.791517	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+H+K"	39.970434
"1451087"	164.587317	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H+K"	39.970434
"247709"	620.442226	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+ACN+H"	42.033826
"1214587"	331.238026	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+ACN+H"	42.033826
"1198468"	166.122651	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+ACN+2H"	43.041102
"190245"	623.37956	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+2Na-H"	44.97116
"635273"	912.58376	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+2Na-H"	44.97116
"1135497"	334.17536	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2Na-H"	44.97116
"174419"	312.193418	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+2Na"	45.978436
"615434"	456.795518	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+2Na"	45.978436
"1127330"	167.591318	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2Na"	45.978436
"1404292"	112.063304	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H+2Na"	46.985712
"1441874"	336.216946	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H+HCOOH"	47.012746
"235346"	317.22644	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+3H2O+2H"	56.04448
"1513077"	350.26899	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+IsoProp+H"	61.06479
"416043"	320.180388	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+Na+K"	61.952376
"781412"	464.782488	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+Na+K"	61.952376
"1679932"	175.578288	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Na+K"	61.952376
"266819"	642.424168	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+ACN+Na"	64.015768
"1233691"	353.219968	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+ACN+Na"	64.015768
"1721487"	353.243493	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+NH4+HCOOH"	64.039293
"1184653"	119.390618	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+3Na"	68.967654
"1656732"	358.198888	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Na+HCOOH"	68.994688
"162502"	655.32744	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+2K-H"	76.91904
"606074"	944.53164	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+2K-H"	76.91904
"1085239"	366.12324	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2K-H"	76.91904
"144485"	328.167358	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"2M+2K"	77.926316
"585139"	472.769458	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"3M+2K"	77.926316
"1077308"	183.565258	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2K"	77.926316
"1110884"	368.137792	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2K+H"	78.933592
"1335959"	368.225407	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+DMSO+H"	79.021207
"1008872"	372.264576	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2ACN+H"	83.060376
"1525902"	373.258208	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+IsoProp+Na+H"	84.054008
"991256"	186.635926	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+2ACN+2H"	84.067652
"1589038"	374.172828	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+K+HCOOH"	84.968628
"1415793"	404.204338	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+H+CF3COOH"	115.000138
"1149364"	207.149201	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+3ACN+2H"	125.094202
"1698920"	421.230885	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+NH4+CF3COOH"	132.026685
"1648429"	426.18628	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+Na+CF3COOH"	136.98208
"1585535"	442.16022	"C17827"	"Hydroxy-gamma-sanshool"	"C18H27NO2"	"289.2042"	"M+K+CF3COOH"	152.95602
"811527"	1386.6667	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M"	0
"989241"	1367.64831	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-H2O-H"	-19.01839
"76953"	923.437190666667	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M-3H"	-3.021828
"517246"	1385.659424	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M-3H"	-3.021828
"894805"	461.214957333333	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-3H"	-3.021828
"15447"	1385.659424	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M-2H"	-2.014552
"450987"	2078.992774	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M-2H"	-2.014552
"823321"	692.326074	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-2H"	-2.014552
"85500"	2772.326124	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M-H"	-1.007276
"531870"	4158.992824	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M-H"	-1.007276
"907968"	1385.659424	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-H"	-1.007276
"59063"	2789.352671	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M-2H+NH4"	16.019271
"501907"	4176.019371	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M-2H+NH4"	16.019271
"877276"	1402.685971	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-2H+NH4"	16.019271
"42136"	2794.308066	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M-2H+Na"	20.974666
"483154"	4180.974766	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M-2H+Na"	20.974666
"854763"	1407.641366	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-2H+Na"	20.974666
"1625025"	1407.641366	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Na-2H"	20.974666
"104469"	1403.647763	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M-H+Cl"	33.962126
"545492"	2096.981113	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M-H+Cl"	33.962126
"939008"	710.314413	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-H+Cl"	33.962126
"280725"	2808.302802	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+Cl"	34.969402
"665613"	4194.969502	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+Cl"	34.969402
"1276925"	1421.636102	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Cl"	34.969402
"24951"	2810.282006	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M-2H+K"	36.948606
"465605"	4196.948706	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M-2H+K"	36.948606
"841221"	1423.615306	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-2H+K"	36.948606
"1563613"	1423.615306	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+K-2H"	36.948606
"947123"	1431.664894	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-H+HCOOH"	44.998194
"367526"	2818.331601	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+HCOOH-H"	44.998201
"355781"	2832.347251	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+Hac-H"	59.013851
"1504615"	1445.680551	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Hac-H"	59.013851
"972158"	1453.646851	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-H+NaCOOH"	66.980151
"125078"	1421.636102	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+2Cl"	69.938804
"565002"	2114.969452	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+2Cl"	69.938804
"1034528"	728.302752	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2Cl"	69.938804
"1247909"	1465.585585	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Br"	78.918885
"1308172"	1467.641572	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Cl+HCOOH"	80.974872
"1323843"	1489.623529	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Cl+NaCOOH"	102.956829
"914541"	1499.652286	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M-H+CF3COOH"	112.985586
"1292342"	1535.628964	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Cl+CF3COOH"	148.962264
"1369774"	1351.654024	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H-2H2O"	-35.012676
"1389094"	1369.664	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H-H2O"	-17.0027
"285501"	2774.340676	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+H"	1.007276
"683390"	4161.007376	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+H"	1.007276
"1361927"	1387.673976	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H"	1.007276
"135908"	1387.673976	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+2H"	2.014552
"574373"	2081.007326	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+2H"	2.014552
"1042081"	694.340626	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2H"	2.014552
"208159"	925.451742666667	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+3H"	3.021828
"650640"	1387.673976	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+3H"	3.021828
"1174239"	463.229509333333	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+3H"	3.021828
"439217"	2791.367223	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+NH4"	18.033823
"798506"	4178.033923	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+NH4"	18.033823
"1693745"	1404.700523	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+NH4"	18.033823
"344943"	1396.1872495	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+H+NH4"	19.041099
"737363"	2089.5205995	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+H+NH4"	19.041099
"1489363"	702.8538995	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H+NH4"	19.041099
"404762"	2796.322618	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+Na"	22.989218
"758104"	4182.989318	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+Na"	22.989218
"1604020"	1409.655918	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Na"	22.989218
"316245"	1398.664947	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+H+Na"	23.996494
"709758"	2091.998297	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+H+Na"	23.996494
"1462118"	705.331597	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H+Na"	23.996494
"1053545"	470.556823333333	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2H+Na"	25.00377
"1258503"	1419.700186	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+CH3OH+H"	33.033486
"380359"	2812.296558	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+K"	38.963158
"739086"	4198.963258	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+K"	38.963158
"1540856"	1425.629858	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+K"	38.963158
"302772"	1406.651917	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+H+K"	39.970434
"697744"	2099.985267	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+H+K"	39.970434
"1452659"	713.318567	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H+K"	39.970434
"240896"	2815.367226	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+ACN+H"	42.033826
"1213605"	1428.700526	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+ACN+H"	42.033826
"1198580"	714.853901	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+ACN+2H"	43.041102
"193641"	2818.30456	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+2Na-H"	44.97116
"636481"	4204.97126	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+2Na-H"	44.97116
"1138889"	1431.63786	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2Na-H"	44.97116
"176715"	1409.655918	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+2Na"	45.978436
"615546"	2102.989268	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+2Na"	45.978436
"1127440"	716.322568	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2Na"	45.978436
"1404401"	477.884137333333	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H+2Na"	46.985712
"1436518"	1433.679446	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H+HCOOH"	47.012746
"234241"	1414.68894	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+3H2O+2H"	56.04448
"1522304"	1447.73149	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+IsoProp+H"	61.06479
"415061"	1417.642888	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+Na+K"	61.952376
"780064"	2110.976238	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+Na+K"	61.952376
"1680044"	724.309538	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Na+K"	61.952376
"265469"	2837.349168	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+ACN+Na"	64.015768
"1234530"	1450.682468	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+ACN+Na"	64.015768
"1721959"	1450.705993	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+NH4+HCOOH"	64.039293
"1183674"	485.211451333333	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+3Na"	68.967654
"1654656"	1455.661388	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Na+HCOOH"	68.994688
"162611"	2850.25244	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+2K-H"	76.91904
"607278"	4236.91914	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+2K-H"	76.91904
"1088874"	1463.58574	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2K-H"	76.91904
"146783"	1425.629858	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"2M+2K"	77.926316
"591813"	2118.963208	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"3M+2K"	77.926316
"1076690"	732.296508	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2K"	77.926316
"1108807"	1465.600292	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2K+H"	78.933592
"1336195"	1465.687907	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+DMSO+H"	79.021207
"1007886"	1469.727076	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2ACN+H"	83.060376
"1524919"	1470.720708	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+IsoProp+Na+H"	84.054008
"991001"	735.367176	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+2ACN+2H"	84.067652
"1589149"	1471.635328	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+K+HCOOH"	84.968628
"1414806"	1501.666838	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+H+CF3COOH"	115.000138
"1147773"	755.880451	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+3ACN+2H"	125.094202
"1700123"	1518.693385	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+NH4+CF3COOH"	132.026685
"1648539"	1523.64878	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+Na+CF3COOH"	136.98208
"1585645"	1539.62272	"C17828"	"Protojujuboside A"	"C64H106O32"	"1386.6667"	"M+K+CF3COOH"	152.95602
"806169"	1224.6139	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M"	0
"987358"	1205.59551	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-H2O-H"	-19.01839
"75603"	815.401990666667	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M-3H"	-3.021828
"517474"	1223.606624	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M-3H"	-3.021828
"895234"	407.197357333333	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-3H"	-3.021828
"13360"	1223.606624	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M-2H"	-2.014552
"453649"	1835.913574	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M-2H"	-2.014552
"826712"	611.299674	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-2H"	-2.014552
"82330"	2448.220524	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M-H"	-1.007276
"527359"	3672.834424	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M-H"	-1.007276
"907347"	1223.606624	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-H"	-1.007276
"56255"	2465.247071	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M-2H+NH4"	16.019271
"491441"	3689.860971	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M-2H+NH4"	16.019271
"874710"	1240.633171	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-2H+NH4"	16.019271
"36049"	2470.202466	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M-2H+Na"	20.974666
"483264"	3694.816366	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M-2H+Na"	20.974666
"854509"	1245.588566	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-2H+Na"	20.974666
"1628415"	1245.588566	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Na-2H"	20.974666
"104943"	1241.594963	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M-H+Cl"	33.962126
"546696"	1853.901913	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M-H+Cl"	33.962126
"940213"	629.288013	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-H+Cl"	33.962126
"281201"	2484.197202	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+Cl"	34.969402
"664630"	3708.811102	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+Cl"	34.969402
"1278128"	1259.583302	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Cl"	34.969402
"27247"	2486.176406	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M-2H+K"	36.948606
"464621"	3710.790306	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M-2H+K"	36.948606
"845340"	1261.562506	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-2H+K"	36.948606
"1568096"	1261.562506	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+K-2H"	36.948606
"949419"	1269.612094	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-H+HCOOH"	44.998194
"370915"	2494.226001	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+HCOOH-H"	44.998201
"351517"	2508.241651	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+Hac-H"	59.013851
"1505818"	1283.627751	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Hac-H"	59.013851
"971172"	1291.594051	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-H+NaCOOH"	66.980151
"124094"	1259.583302	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+2Cl"	69.938804
"564506"	1871.890252	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+2Cl"	69.938804
"1034638"	647.276352	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2Cl"	69.938804
"1253486"	1303.532785	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Br"	78.918885
"1307189"	1305.588772	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Cl+HCOOH"	80.974872
"1323590"	1327.570729	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Cl+NaCOOH"	102.956829
"916837"	1337.599486	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M-H+CF3COOH"	112.985586
"1291721"	1373.576164	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Cl+CF3COOH"	148.962264
"1369517"	1189.601224	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H-2H2O"	-35.012676
"1386652"	1207.6112	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H-H2O"	-17.0027
"285975"	2450.235076	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+H"	1.007276
"678397"	3674.848976	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+H"	1.007276
"1359849"	1225.621176	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H"	1.007276
"136017"	1225.621176	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+2H"	2.014552
"575577"	1837.928126	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+2H"	2.014552
"1042190"	613.314226	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2H"	2.014552
"211183"	817.416542666667	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+3H"	3.021828
"650750"	1225.621176	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+3H"	3.021828
"1173985"	409.211909333333	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+3H"	3.021828
"435440"	2467.261623	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+NH4"	18.033823
"797526"	3691.875523	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+NH4"	18.033823
"1692765"	1242.647723	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+NH4"	18.033823
"345343"	1234.1344495	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+H+NH4"	19.041099
"734558"	1846.4413995	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+H+NH4"	19.041099
"1482911"	621.8274995	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H+NH4"	19.041099
"400497"	2472.217018	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+Na"	22.989218
"755540"	3696.830918	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+Na"	22.989218
"1607410"	1247.603118	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Na"	22.989218
"316355"	1236.612147	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+H+Na"	23.996494
"708774"	1848.919097	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+H+Na"	23.996494
"1466969"	624.305197	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H+Na"	23.996494
"1053654"	416.539223333333	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2H+Na"	25.00377
"1262987"	1257.647386	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+CH3OH+H"	33.033486
"379740"	2488.190958	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+K"	38.963158
"738951"	3712.804858	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+K"	38.963158
"1543519"	1263.577058	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+K"	38.963158
"306161"	1244.599117	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+H+K"	39.970434
"702956"	1856.906067	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+H+K"	39.970434
"1455684"	632.292167	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H+K"	39.970434
"247932"	2491.261626	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+ACN+H"	42.033826
"1216994"	1266.647726	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+ACN+H"	42.033826
"1200876"	633.827501	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+ACN+2H"	43.041102
"194843"	2494.19896	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+2Na-H"	44.97116
"636591"	3718.81286	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+2Na-H"	44.97116
"1136815"	1269.58506	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2Na-H"	44.97116
"176827"	1247.603118	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+2Na"	45.978436
"617479"	1859.910068	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+2Na"	45.978436
"1127550"	635.296168	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2Na"	45.978436
"1405605"	423.866537333333	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H+2Na"	46.985712
"1436627"	1271.626646	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H+HCOOH"	47.012746
"231799"	1252.63614	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+3H2O+2H"	56.04448
"1518402"	1285.67869	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+IsoProp+H"	61.06479
"415172"	1255.590088	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+Na+K"	61.952376
"778352"	1867.897038	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+Na+K"	61.952376
"1675778"	643.283138	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Na+K"	61.952376
"262662"	2513.243568	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+ACN+Na"	64.015768
"1235371"	1288.629668	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+ACN+Na"	64.015768
"1721707"	1288.653193	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+NH4+HCOOH"	64.039293
"1188885"	431.193851333333	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+3Na"	68.967654
"1658049"	1293.608588	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Na+HCOOH"	68.994688
"162722"	2526.14684	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+2K-H"	76.91904
"605930"	3750.76074	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+2K-H"	76.91904
"1091171"	1301.53294	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2K-H"	76.91904
"146892"	1263.577058	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"2M+2K"	77.926316
"589736"	1875.884008	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"3M+2K"	77.926316
"1078259"	651.270108	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2K"	77.926316
"1110009"	1303.547492	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2K+H"	78.933592
"1337521"	1303.635107	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+DMSO+H"	79.021207
"1005966"	1307.674276	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2ACN+H"	83.060376
"1525270"	1308.667908	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+IsoProp+Na+H"	84.054008
"991477"	654.340776	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+2ACN+2H"	84.067652
"1587554"	1309.582528	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+K+HCOOH"	84.968628
"1414552"	1339.614038	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+H+CF3COOH"	115.000138
"1151773"	674.854051	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+3ACN+2H"	125.094202
"1700233"	1356.640585	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+NH4+CF3COOH"	132.026685
"1647918"	1361.59598	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+Na+CF3COOH"	136.98208
"1585755"	1377.56992	"C17829"	"Protojujuboside B"	"C58H96O27"	"1224.6139"	"M+K+CF3COOH"	152.95602
"806279"	1224.6139	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M"	0
"986375"	1205.59551	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-H2O-H"	-19.01839
"78456"	815.401990666667	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M-3H"	-3.021828
"518418"	1223.606624	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M-3H"	-3.021828
"895453"	407.197357333333	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-3H"	-3.021828
"12012"	1223.606624	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M-2H"	-2.014552
"452300"	1835.913574	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M-2H"	-2.014552
"826822"	611.299674	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-2H"	-2.014552
"82440"	2448.220524	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M-H"	-1.007276
"527469"	3672.834424	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M-H"	-1.007276
"907457"	1223.606624	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-H"	-1.007276
"56365"	2465.247071	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M-2H+NH4"	16.019271
"491551"	3689.860971	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M-2H+NH4"	16.019271
"871539"	1240.633171	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-2H+NH4"	16.019271
"36159"	2470.202466	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M-2H+Na"	20.974666
"486169"	3694.816366	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M-2H+Na"	20.974666
"861180"	1245.588566	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-2H+Na"	20.974666
"1628525"	1245.588566	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Na-2H"	20.974666
"105053"	1241.594963	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M-H+Cl"	33.962126
"547899"	1853.901913	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M-H+Cl"	33.962126
"939959"	629.288013	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-H+Cl"	33.962126
"281799"	2484.197202	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+Cl"	34.969402
"669112"	3708.811102	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+Cl"	34.969402
"1281518"	1259.583302	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Cl"	34.969402
"28450"	2486.176406	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M-2H+K"	36.948606
"464731"	3710.790306	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M-2H+K"	36.948606
"842532"	1261.562506	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-2H+K"	36.948606
"1566019"	1261.562506	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+K-2H"	36.948606
"950622"	1269.612094	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-H+HCOOH"	44.998194
"373211"	2494.226001	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+HCOOH-H"	44.998201
"352720"	2508.241651	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+Hac-H"	59.013851
"1507386"	1283.627751	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Hac-H"	59.013851
"973468"	1291.594051	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-H+NaCOOH"	66.980151
"119097"	1259.583302	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+2Cl"	69.938804
"558657"	1871.890252	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+2Cl"	69.938804
"1030737"	647.276352	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2Cl"	69.938804
"1251409"	1303.532785	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Br"	78.918885
"1313860"	1305.588772	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Cl+HCOOH"	80.974872
"1324794"	1327.570729	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Cl+NaCOOH"	102.956829
"914029"	1337.599486	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M-H+CF3COOH"	112.985586
"1290738"	1373.576164	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Cl+CF3COOH"	148.962264
"1369628"	1189.601224	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H-2H2O"	-35.012676
"1386035"	1207.6112	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H-H2O"	-17.0027
"289002"	2450.235076	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+H"	1.007276
"680330"	3674.848976	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+H"	1.007276
"1361052"	1225.621176	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H"	1.007276
"133940"	1225.621176	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+2H"	2.014552
"575686"	1837.928126	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+2H"	2.014552
"1040478"	613.314226	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2H"	2.014552
"211293"	817.416542666667	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+3H"	3.021828
"651224"	1225.621176	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+3H"	3.021828
"1174822"	409.211909333333	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+3H"	3.021828
"434452"	2467.261623	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+NH4"	18.033823
"796176"	3691.875523	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+NH4"	18.033823
"1693966"	1242.647723	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+NH4"	18.033823
"343341"	1234.1344495	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+H+NH4"	19.041099
"734666"	1846.4413995	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+H+NH4"	19.041099
"1481929"	621.8274995	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H+NH4"	19.041099
"398421"	2472.217018	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+Na"	22.989218
"755529"	3696.830918	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+Na"	22.989218
"1606426"	1247.603118	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Na"	22.989218
"316465"	1236.612147	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+H+Na"	23.996494
"711070"	1848.919097	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+H+Na"	23.996494
"1467078"	624.305197	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H+Na"	23.996494
"1057044"	416.539223333333	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2H+Na"	25.00377
"1264190"	1257.647386	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+CH3OH+H"	33.033486
"383859"	2488.190958	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+K"	38.963158
"743033"	3712.804858	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+K"	38.963158
"1547273"	1263.577058	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+K"	38.963158
"310644"	1244.599117	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+H+K"	39.970434
"704159"	1856.906067	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+H+K"	39.970434
"1457980"	632.292167	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H+K"	39.970434
"249863"	2491.261626	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+ACN+H"	42.033826
"1220383"	1266.647726	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+ACN+H"	42.033826
"1202080"	633.827501	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+ACN+2H"	43.041102
"196045"	2494.19896	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+2Na-H"	44.97116
"636699"	3718.81286	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+2Na-H"	44.97116
"1140205"	1269.58506	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2Na-H"	44.97116
"180215"	1247.603118	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+2Na"	45.978436
"619775"	1859.910068	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+2Na"	45.978436
"1127660"	635.296168	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2Na"	45.978436
"1406808"	423.866537333333	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H+2Na"	46.985712
"1441110"	1271.626646	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H+HCOOH"	47.012746
"231909"	1252.63614	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+3H2O+2H"	56.04448
"1520698"	1285.67869	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+IsoProp+H"	61.06479
"414189"	1255.590088	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+Na+K"	61.952376
"775546"	1867.897038	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+Na+K"	61.952376
"1674794"	643.283138	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Na+K"	61.952376
"264591"	2513.243568	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+ACN+Na"	64.015768
"1235114"	1288.629668	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+ACN+Na"	64.015768
"1722909"	1288.653193	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+NH4+HCOOH"	64.039293
"1187900"	431.193851333333	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+3Na"	68.967654
"1659981"	1293.608588	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Na+HCOOH"	68.994688
"161740"	2526.14684	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+2K-H"	76.91904
"603487"	3750.76074	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+2K-H"	76.91904
"1086907"	1301.53294	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2K-H"	76.91904
"149189"	1263.577058	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"2M+2K"	77.926316
"590574"	1875.884008	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"3M+2K"	77.926316
"1078732"	651.270108	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2K"	77.926316
"1109754"	1303.547492	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2K+H"	78.933592
"1338483"	1303.635107	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+DMSO+H"	79.021207
"1007132"	1307.674276	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2ACN+H"	83.060376
"1526231"	1308.667908	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+IsoProp+Na+H"	84.054008
"992314"	654.340776	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+2ACN+2H"	84.067652
"1591557"	1309.582528	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+K+HCOOH"	84.968628
"1414542"	1339.614038	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+H+CF3COOH"	115.000138
"1149697"	674.854051	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+3ACN+2H"	125.094202
"1699250"	1356.640585	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+NH4+CF3COOH"	132.026685
"1648028"	1361.59598	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+Na+CF3COOH"	136.98208
"1585865"	1377.56992	"C17830"	"Protojujuboside B1"	"C58H96O27"	"1224.6139"	"M+K+CF3COOH"	152.95602
"806389"	1206.6033	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M"	0
"984298"	1187.58491	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-H2O-H"	-19.01839
"75459"	803.394924	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M-3H"	-3.021828
"517330"	1205.596024	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M-3H"	-3.021828
"893184"	401.193824	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-3H"	-3.021828
"12850"	1205.596024	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M-2H"	-2.014552
"452410"	1808.897674	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M-2H"	-2.014552
"829848"	602.294374	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-2H"	-2.014552
"82550"	2412.199324	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M-H"	-1.007276
"523202"	3618.802624	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M-H"	-1.007276
"904287"	1205.596024	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-H"	-1.007276
"56474"	2429.225871	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M-2H+NH4"	16.019271
"493846"	3635.829171	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M-2H+NH4"	16.019271
"869461"	1222.622571	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-2H+NH4"	16.019271
"36269"	2434.181266	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M-2H+Na"	20.974666
"480203"	3640.784566	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M-2H+Na"	20.974666
"854729"	1227.577966	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-2H+Na"	20.974666
"1625355"	1227.577966	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Na-2H"	20.974666
"99695"	1223.584363	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M-H+Cl"	33.962126
"547645"	1826.886013	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M-H+Cl"	33.962126
"940433"	620.282713	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-H+Cl"	33.962126
"281787"	2448.176002	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+Cl"	34.969402
"671409"	3654.779302	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+Cl"	34.969402
"1283815"	1241.572702	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Cl"	34.969402
"27467"	2450.155206	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M-2H+K"	36.948606
"464841"	3656.758506	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M-2H+K"	36.948606
"841549"	1243.551906	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-2H+K"	36.948606
"1567952"	1243.551906	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+K-2H"	36.948606
"950732"	1251.601494	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-H+HCOOH"	44.998194
"373321"	2458.204801	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+HCOOH-H"	44.998201
"351737"	2472.220451	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+Hac-H"	59.013851
"1507131"	1265.617151	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Hac-H"	59.013851
"971391"	1273.583451	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-H+NaCOOH"	66.980151
"124554"	1241.572702	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+2Cl"	69.938804
"562048"	1844.874352	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+2Cl"	69.938804
"1029754"	638.271052	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2Cl"	69.938804
"1253706"	1285.522185	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Br"	78.918885
"1312877"	1287.578172	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Cl+HCOOH"	80.974872
"1325997"	1309.560129	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Cl+NaCOOH"	102.956829
"914869"	1319.588886	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M-H+CF3COOH"	112.985586
"1291212"	1355.565564	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Cl+CF3COOH"	148.962264
"1369738"	1171.590624	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H-2H2O"	-35.012676
"1386145"	1189.6006	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H-H2O"	-17.0027
"289112"	2414.213876	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+H"	1.007276
"679347"	3620.817176	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+H"	1.007276
"1361162"	1207.610576	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H"	1.007276
"135144"	1207.610576	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+2H"	2.014552
"575798"	1810.912226	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+2H"	2.014552
"1044597"	604.308926	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2H"	2.014552
"208851"	805.409476	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+3H"	3.021828
"653157"	1207.610576	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+3H"	3.021828
"1170192"	403.208376	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+3H"	3.021828
"431278"	2431.240423	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+NH4"	18.033823
"796648"	3637.843723	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+NH4"	18.033823
"1691890"	1224.637123	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+NH4"	18.033823
"342359"	1216.1238495	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+H+NH4"	19.041099
"732590"	1819.4254995	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+H+NH4"	19.041099
"1486411"	612.8221995	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H+NH4"	19.041099
"400716"	2436.195818	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+Na"	22.989218
"755518"	3642.799118	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+Na"	22.989218
"1605078"	1229.592518	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Na"	22.989218
"314990"	1218.601547	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+H+Na"	23.996494
"709357"	1821.903197	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+H+Na"	23.996494
"1462690"	615.299897	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H+Na"	23.996494
"1055331"	410.53569	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2H+Na"	25.00377
"1262114"	1239.636786	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+CH3OH+H"	33.033486
"379959"	2452.169758	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+K"	38.963158
"739983"	3658.773058	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+K"	38.963158
"1543009"	1245.566458	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+K"	38.963158
"310755"	1226.588517	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+H+K"	39.970434
"702081"	1829.890167	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+H+K"	39.970434
"1455902"	623.286867	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H+K"	39.970434
"250095"	2455.240426	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+ACN+H"	42.033826
"1220494"	1248.637126	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+ACN+H"	42.033826
"1201098"	624.822201	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+ACN+2H"	43.041102
"197248"	2458.17776	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+2Na-H"	44.97116
"642276"	3664.78106	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+2Na-H"	44.97116
"1138129"	1251.57446	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2Na-H"	44.97116
"179232"	1229.592518	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+2Na"	45.978436
"618793"	1832.894168	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+2Na"	45.978436
"1122303"	626.290868	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2Na"	45.978436
"1405825"	417.863004	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H+2Na"	46.985712
"1437941"	1253.616046	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H+HCOOH"	47.012746
"233111"	1234.62554	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+3H2O+2H"	56.04448
"1521171"	1267.66809	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+IsoProp+H"	61.06479
"412477"	1237.579488	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+Na+K"	61.952376
"774199"	1840.881138	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+Na+K"	61.952376
"1672716"	634.277838	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Na+K"	61.952376
"262516"	2477.222368	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+ACN+Na"	64.015768
"1234133"	1270.619068	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+ACN+Na"	64.015768
"1721926"	1270.642593	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+NH4+HCOOH"	64.039293
"1189103"	425.190318	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+3Na"	68.967654
"1661549"	1275.597988	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Na+HCOOH"	68.994688
"160757"	2490.12564	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+2K-H"	76.91904
"603598"	3696.72894	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+2K-H"	76.91904
"1089204"	1283.52234	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2K-H"	76.91904
"148206"	1245.566458	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"2M+2K"	77.926316
"588863"	1848.868108	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"3M+2K"	77.926316
"1077749"	642.264808	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2K"	77.926316
"1111689"	1285.536892	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2K+H"	78.933592
"1336528"	1285.624507	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+DMSO+H"	79.021207
"1009307"	1289.663676	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2ACN+H"	83.060376
"1526341"	1290.657308	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+IsoProp+Na+H"	84.054008
"991330"	645.335476	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+2ACN+2H"	84.067652
"1590573"	1291.571928	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+K+HCOOH"	84.968628
"1414775"	1321.603438	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+H+CF3COOH"	115.000138
"1148714"	665.848751	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+3ACN+2H"	125.094202
"1698267"	1338.629985	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+NH4+CF3COOH"	132.026685
"1648138"	1343.58538	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+Na+CF3COOH"	136.98208
"1585975"	1359.55932	"C17831"	"Jujuboside A"	"C58H94O26"	"1206.6033"	"M+K+CF3COOH"	152.95602
"806499"	1044.5505	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M"	0
"987689"	1025.53211	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-H2O-H"	-19.01839
"76663"	695.359724	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M-3H"	-3.021828
"517681"	1043.543224	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M-3H"	-3.021828
"894024"	347.176224	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-3H"	-3.021828
"13326"	1043.543224	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M-2H"	-2.014552
"449240"	1565.818474	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M-2H"	-2.014552
"827042"	521.267974	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-2H"	-2.014552
"82660"	2088.093724	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M-H"	-1.007276
"523311"	3132.644224	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M-H"	-1.007276
"901117"	1043.543224	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-H"	-1.007276
"53304"	2105.120271	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M-2H+NH4"	16.019271
"497238"	3149.670771	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M-2H+NH4"	16.019271
"869571"	1060.569771	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-2H+NH4"	16.019271
"39657"	2110.075666	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M-2H+Na"	20.974666
"477031"	3154.626166	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M-2H+Na"	20.974666
"854839"	1065.525166	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-2H+Na"	20.974666
"1625465"	1065.525166	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Na-2H"	20.974666
"101992"	1061.531563	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M-H+Cl"	33.962126
"547755"	1583.806813	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M-H+Cl"	33.962126
"940179"	539.256313	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-H+Cl"	33.962126
"280922"	2124.070402	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+Cl"	34.969402
"667146"	3168.620902	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+Cl"	34.969402
"1283925"	1079.519902	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Cl"	34.969402
"26484"	2126.049606	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M-2H+K"	36.948606
"467867"	3170.600106	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M-2H+K"	36.948606
"842752"	1081.499106	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-2H+K"	36.948606
"1568427"	1081.499106	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+K-2H"	36.948606
"954122"	1089.548694	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-H+HCOOH"	44.998194
"373431"	2134.099201	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+HCOOH-H"	44.998201
"351847"	2148.114851	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+Hac-H"	59.013851
"1507242"	1103.564351	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Hac-H"	59.013851
"971501"	1111.530651	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-H+NaCOOH"	66.980151
"123936"	1079.519902	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+2Cl"	69.938804
"562158"	1601.795152	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+2Cl"	69.938804
"1029864"	557.244652	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2Cl"	69.938804
"1253088"	1123.469385	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Br"	78.918885
"1310800"	1125.525372	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Cl+HCOOH"	80.974872
"1323921"	1147.507329	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Cl+NaCOOH"	102.956829
"913157"	1157.536086	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M-H+CF3COOH"	112.985586
"1292051"	1193.512764	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Cl+CF3COOH"	148.962264
"1369483"	1009.537824	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H-2H2O"	-35.012676
"1385162"	1027.5478	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H-H2O"	-17.0027
"289222"	2090.108276	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+H"	1.007276
"680550"	3134.658776	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+H"	1.007276
"1362365"	1045.557776	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H"	1.007276
"135253"	1045.557776	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+2H"	2.014552
"574814"	1567.833026	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+2H"	2.014552
"1043614"	523.282526	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2H"	2.014552
"207503"	697.374276	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+3H"	3.021828
"649981"	1045.557776	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+3H"	3.021828
"1172489"	349.190776	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+3H"	3.021828
"431388"	2107.134823	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+NH4"	18.033823
"795666"	3151.685323	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+NH4"	18.033823
"1694186"	1062.584323	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+NH4"	18.033823
"340283"	1054.0710495	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+H+NH4"	19.041099
"733793"	1576.3462995	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+H+NH4"	19.041099
"1486521"	531.7957995	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H+NH4"	19.041099
"399734"	2112.090218	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+Na"	22.989218
"758544"	3156.640718	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+Na"	22.989218
"1606645"	1067.539718	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Na"	22.989218
"316681"	1056.548747	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+H+Na"	23.996494
"708252"	1578.823997	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+H+Na"	23.996494
"1462558"	534.273497	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H+Na"	23.996494
"1056534"	356.51809	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2H+Na"	25.00377
"1262224"	1077.583986	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+CH3OH+H"	33.033486
"381163"	2128.064158	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+K"	38.963158
"740336"	3172.614658	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+K"	38.963158
"1541661"	1083.513658	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+K"	38.963158
"310864"	1064.535717	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+H+K"	39.970434
"702191"	1586.810967	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+H+K"	39.970434
"1458198"	542.260467	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H+K"	39.970434
"249475"	2131.134826	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+ACN+H"	42.033826
"1221697"	1086.584326	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+ACN+H"	42.033826
"1201208"	543.795801	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+ACN+2H"	43.041102
"194078"	2134.07216	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+2Na-H"	44.97116
"639106"	3178.62266	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+2Na-H"	44.97116
"1139332"	1089.52166	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2Na-H"	44.97116
"178250"	1067.539718	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+2Na"	45.978436
"619996"	1589.814968	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+2Na"	45.978436
"1122413"	545.264468	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2Na"	45.978436
"1405935"	363.845404	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H+2Na"	46.985712
"1439144"	1091.563246	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H+HCOOH"	47.012746
"229938"	1072.57274	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+3H2O+2H"	56.04448
"1520554"	1105.61529	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+IsoProp+H"	61.06479
"411494"	1075.526688	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+Na+K"	61.952376
"773218"	1597.801938	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+Na+K"	61.952376
"1670639"	553.251438	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Na+K"	61.952376
"262628"	2153.116768	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+ACN+Na"	64.015768
"1234244"	1108.566268	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+ACN+Na"	64.015768
"1724225"	1108.589793	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+NH4+HCOOH"	64.039293
"1188120"	371.172718	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+3Na"	68.967654
"1661294"	1113.545188	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Na+HCOOH"	68.994688
"160866"	2166.02004	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+2K-H"	76.91904
"605896"	3210.57054	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+2K-H"	76.91904
"1090407"	1121.46954	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2K-H"	76.91904
"145036"	1083.513658	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"2M+2K"	77.926316
"590065"	1605.788908	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"3M+2K"	77.926316
"1078954"	561.238408	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2K"	77.926316
"1112163"	1123.484092	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2K+H"	78.933592
"1336517"	1123.571707	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+DMSO+H"	79.021207
"1005893"	1127.610876	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2ACN+H"	83.060376
"1525356"	1128.604508	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+IsoProp+Na+H"	84.054008
"991076"	564.309076	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+2ACN+2H"	84.067652
"1592870"	1129.519128	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+K+HCOOH"	84.968628
"1414885"	1159.550638	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+H+CF3COOH"	115.000138
"1148095"	584.822351	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+3ACN+2H"	125.094202
"1698377"	1176.577185	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+NH4+CF3COOH"	132.026685
"1648248"	1181.53258	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+Na+CF3COOH"	136.98208
"1586085"	1197.50652	"C17832"	"Jujuboside B"	"C52H84O21"	"1044.5505"	"M+K+CF3COOH"	152.95602
"806609"	1236.6139	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M"	0
"986706"	1217.59551	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-H2O-H"	-19.01839
"77747"	823.401990666667	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M-3H"	-3.021828
"514511"	1235.606624	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M-3H"	-3.021828
"892312"	411.197357333333	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-3H"	-3.021828
"13071"	1235.606624	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M-2H"	-2.014552
"452629"	1853.913574	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M-2H"	-2.014552
"827152"	617.299674	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-2H"	-2.014552
"83862"	2472.220524	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M-H"	-1.007276
"523424"	3708.834424	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M-H"	-1.007276
"901227"	1235.606624	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-H"	-1.007276
"53414"	2489.247071	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M-2H+NH4"	16.019271
"497348"	3725.860971	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M-2H+NH4"	16.019271
"871868"	1252.633171	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-2H+NH4"	16.019271
"39767"	2494.202466	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M-2H+Na"	20.974666
"480421"	3730.816366	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M-2H+Na"	20.974666
"855313"	1257.588566	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-2H+Na"	20.974666
"1625575"	1257.588566	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Na-2H"	20.974666
"101008"	1253.594963	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M-H+Cl"	33.962126
"543859"	1871.901913	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M-H+Cl"	33.962126
"939560"	635.288013	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-H+Cl"	33.962126
"280303"	2508.197202	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+Cl"	34.969402
"672723"	3744.811102	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+Cl"	34.969402
"1286218"	1271.583302	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Cl"	34.969402
"21125"	2510.176406	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M-2H+K"	36.948606
"465059"	3746.790306	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M-2H+K"	36.948606
"842862"	1273.562506	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-2H+K"	36.948606
"1568901"	1273.562506	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+K-2H"	36.948606
"950952"	1281.612094	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-H+HCOOH"	44.998194
"373541"	2518.226001	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+HCOOH-H"	44.998201
"351957"	2532.241651	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+Hac-H"	59.013851
"1507716"	1295.627751	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Hac-H"	59.013851
"967966"	1303.594051	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-H+NaCOOH"	66.980151
"122707"	1271.583302	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+2Cl"	69.938804
"562268"	1889.890252	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+2Cl"	69.938804
"1029973"	653.276352	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2Cl"	69.938804
"1251739"	1315.532785	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Br"	78.918885
"1307628"	1317.588772	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Cl+HCOOH"	80.974872
"1325124"	1339.570729	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Cl+NaCOOH"	102.956829
"913267"	1349.599486	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M-H+CF3COOH"	112.985586
"1290704"	1385.576164	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Cl+CF3COOH"	148.962264
"1367773"	1201.601224	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H-2H2O"	-35.012676
"1388552"	1219.6112	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H-H2O"	-17.0027
"290426"	2474.235076	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+H"	1.007276
"679567"	3710.848976	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+H"	1.007276
"1360289"	1237.621176	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H"	1.007276
"135363"	1237.621176	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+2H"	2.014552
"574923"	1855.928126	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+2H"	2.014552
"1048097"	619.314226	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2H"	2.014552
"208707"	825.416542666667	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+3H"	3.021828
"653371"	1237.621176	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+3H"	3.021828
"1170412"	413.211909333333	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+3H"	3.021828
"436967"	2491.261623	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+NH4"	18.033823
"795776"	3727.875523	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+NH4"	18.033823
"1693203"	1254.647723	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+NH4"	18.033823
"341487"	1246.1344495	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+H+NH4"	19.041099
"734996"	1864.4413995	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+H+NH4"	19.041099
"1486632"	627.8274995	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H+NH4"	19.041099
"402032"	2496.217018	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+Na"	22.989218
"757561"	3732.830918	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+Na"	22.989218
"1602982"	1259.603118	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Na"	22.989218
"315698"	1248.612147	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+H+Na"	23.996494
"707304"	1866.919097	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+H+Na"	23.996494
"1461566"	630.305197	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H+Na"	23.996494
"1052839"	420.539223333333	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2H+Na"	25.00377
"1262334"	1269.647386	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+CH3OH+H"	33.033486
"379816"	2512.190958	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+K"	38.963158
"738661"	3748.804858	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+K"	38.963158
"1541771"	1275.577058	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+K"	38.963158
"305509"	1256.599117	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+H+K"	39.970434
"701209"	1874.906067	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+H+K"	39.970434
"1457215"	638.292167	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H+K"	39.970434
"249463"	2515.261626	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+ACN+H"	42.033826
"1220713"	1278.647726	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+ACN+H"	42.033826
"1204597"	639.827501	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+ACN+2H"	43.041102
"194188"	2518.19896	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+2Na-H"	44.97116
"641404"	3754.81286	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+2Na-H"	44.97116
"1143815"	1281.58506	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2Na-H"	44.97116
"179454"	1259.603118	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+2Na"	45.978436
"617919"	1877.910068	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+2Na"	45.978436
"1123617"	641.296168	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2Na"	45.978436
"1403859"	427.866537333333	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H+2Na"	46.985712
"1442535"	1283.626646	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H+HCOOH"	47.012746
"233207"	1264.63614	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+3H2O+2H"	56.04448
"1521029"	1297.67869	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+IsoProp+H"	61.06479
"412334"	1267.590088	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+Na+K"	61.952376
"776609"	1885.897038	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+Na+K"	61.952376
"1669659"	649.283138	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Na+K"	61.952376
"259458"	2537.243568	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+ACN+Na"	64.015768
"1236177"	1300.629668	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+ACN+Na"	64.015768
"1726524"	1300.653193	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+NH4+HCOOH"	64.039293
"1186411"	435.193851333333	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+3Na"	68.967654
"1663959"	1305.608588	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Na+HCOOH"	68.994688
"167539"	2550.14684	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+2K-H"	76.91904
"607101"	3786.76074	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+2K-H"	76.91904
"1089424"	1313.53294	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2K-H"	76.91904
"149524"	1275.577058	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"2M+2K"	77.926316
"590178"	1893.884008	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"3M+2K"	77.926316
"1077970"	657.270108	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2K"	77.926316
"1113246"	1315.547492	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2K+H"	78.933592
"1336140"	1315.635107	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+DMSO+H"	79.021207
"1006853"	1319.674276	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2ACN+H"	83.060376
"1525222"	1320.667908	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+IsoProp+Na+H"	84.054008
"990940"	660.340776	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+2ACN+2H"	84.067652
"1592980"	1321.582528	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+K+HCOOH"	84.968628
"1415722"	1351.614038	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+H+CF3COOH"	115.000138
"1148322"	680.854051	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+3ACN+2H"	125.094202
"1698487"	1368.640585	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+NH4+CF3COOH"	132.026685
"1649823"	1373.59598	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+Na+CF3COOH"	136.98208
"1586195"	1389.56992	"C17833"	"Jujuboside C"	"C59H96O27"	"1236.6139"	"M+K+CF3COOH"	152.95602
"806719"	608.1741	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M"	0
"985722"	589.15571	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-H2O-H"	-19.01839
"76883"	404.442124	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M-3H"	-3.021828
"516807"	607.166824	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M-3H"	-3.021828
"888048"	201.717424	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-3H"	-3.021828
"13182"	607.166824	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M-2H"	-2.014552
"452739"	911.253874	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M-2H"	-2.014552
"827262"	303.079774	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-2H"	-2.014552
"83973"	1215.340924	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M-H"	-1.007276
"524627"	1823.515024	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M-H"	-1.007276
"901337"	607.166824	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-H"	-1.007276
"56804"	1232.367471	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M-2H+NH4"	16.019271
"497459"	1840.541571	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M-2H+NH4"	16.019271
"873071"	624.193371	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-2H+NH4"	16.019271
"39877"	1237.322866	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M-2H+Na"	20.974666
"478343"	1845.496966	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M-2H+Na"	20.974666
"855423"	629.148766	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-2H+Na"	20.974666
"1625685"	629.148766	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Na-2H"	20.974666
"100025"	625.155163	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M-H+Cl"	33.962126
"546154"	929.242213	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M-H+Cl"	33.962126
"940762"	321.068113	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-H+Cl"	33.962126
"281023"	1251.317602	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+Cl"	34.969402
"672833"	1859.491702	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+Cl"	34.969402
"1286329"	643.143502	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Cl"	34.969402
"22328"	1253.296806	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M-2H+K"	36.948606
"464076"	1861.470906	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M-2H+K"	36.948606
"842972"	645.122706	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-2H+K"	36.948606
"1567554"	645.122706	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+K-2H"	36.948606
"954342"	653.172294	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-H+HCOOH"	44.998194
"373651"	1261.346401	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+HCOOH-H"	44.998201
"352067"	1275.362051	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+Hac-H"	59.013851
"1508031"	667.187951	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Hac-H"	59.013851
"969534"	675.154251	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-H+NaCOOH"	66.980151
"122817"	643.143502	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+2Cl"	69.938804
"564565"	947.230552	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+2Cl"	69.938804
"1034456"	339.056452	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2Cl"	69.938804
"1256222"	687.092985	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Br"	78.918885
"1309924"	689.148972	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Cl+HCOOH"	80.974872
"1326328"	711.130929	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Cl+NaCOOH"	102.956829
"916293"	721.159686	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M-H+CF3COOH"	112.985586
"1294094"	757.136364	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Cl+CF3COOH"	148.962264
"1368247"	573.161424	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H-2H2O"	-35.012676
"1386472"	591.1714	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H-H2O"	-17.0027
"288348"	1217.355476	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+H"	1.007276
"682957"	1825.529576	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+H"	1.007276
"1359306"	609.181376	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H"	1.007276
"134381"	609.181376	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+2H"	2.014552
"572848"	913.268426	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+2H"	2.014552
"1044928"	305.094326	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2H"	2.014552
"211734"	406.456676	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+3H"	3.021828
"647285"	609.181376	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+3H"	3.021828
"1174896"	203.731976	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+3H"	3.021828
"433797"	1234.382023	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+NH4"	18.033823
"794792"	1842.556123	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+NH4"	18.033823
"1693313"	626.207923	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+NH4"	18.033823
"343055"	617.6946495	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+H+NH4"	19.041099
"736199"	921.7816995	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+H+NH4"	19.041099
"1488930"	313.6075995	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H+NH4"	19.041099
"404328"	1239.337418	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+Na"	22.989218
"758764"	1847.511518	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+Na"	22.989218
"1603702"	631.163318	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Na"	22.989218
"317266"	620.172347	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+H+Na"	23.996494
"707498"	924.259397	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+H+Na"	23.996494
"1464241"	316.085297	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H+Na"	23.996494
"1052821"	211.05929	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2H+Na"	25.00377
"1262444"	641.207586	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+CH3OH+H"	33.033486
"382114"	1255.311358	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+K"	38.963158
"742744"	1863.485458	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+K"	38.963158
"1547349"	647.137258	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+K"	38.963158
"306713"	628.159317	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+H+K"	39.970434
"698040"	932.246367	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+H+K"	39.970434
"1457326"	324.072267	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H+K"	39.970434
"250304"	1258.382026	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+ACN+H"	42.033826
"1223740"	650.207926	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+ACN+H"	42.033826
"1204707"	325.607601	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+ACN+2H"	43.041102
"194299"	1261.31936	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+2Na-H"	44.97116
"640419"	1869.49346	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+2Na-H"	44.97116
"1141738"	653.14526	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2Na-H"	44.97116
"182844"	631.163318	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+2Na"	45.978436
"618029"	935.250368	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+2Na"	45.978436
"1126643"	327.076268	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2Na"	45.978436
"1407249"	218.386604	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H+2Na"	46.985712
"1442645"	655.186846	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H+HCOOH"	47.012746
"233074"	636.19634	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+3H2O+2H"	56.04448
"1522598"	669.23889	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+IsoProp+H"	61.06479
"414631"	639.150288	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+Na+K"	61.952376
"776719"	943.237338	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+Na+K"	61.952376
"1673050"	335.063238	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Na+K"	61.952376
"261391"	1280.363968	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+ACN+Na"	64.015768
"1235923"	672.189868	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+ACN+Na"	64.015768
"1724082"	672.213393	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+NH4+HCOOH"	64.039293
"1187614"	225.713918	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+3Na"	68.967654
"1662975"	677.168788	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Na+HCOOH"	68.994688
"169838"	1293.26724	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+2K-H"	76.91904
"609398"	1901.44134	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+2K-H"	76.91904
"1088441"	685.09314	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2K-H"	76.91904
"149634"	647.137258	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"2M+2K"	77.926316
"589195"	951.224308	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"3M+2K"	77.926316
"1083307"	343.050208	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2K"	77.926316
"1113477"	687.107692	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2K+H"	78.933592
"1338924"	687.195307	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+DMSO+H"	79.021207
"1006599"	691.234476	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2ACN+H"	83.060376
"1524969"	692.228108	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+IsoProp+Na+H"	84.054008
"991297"	346.120876	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+2ACN+2H"	84.067652
"1596371"	693.142728	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+K+HCOOH"	84.968628
"1415834"	723.174238	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+H+CF3COOH"	115.000138
"1149039"	366.634151	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+3ACN+2H"	125.094202
"1698597"	740.200785	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+NH4+CF3COOH"	132.026685
"1645187"	745.15618	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+Na+CF3COOH"	136.98208
"1586305"	761.13012	"C17834"	"Spinosin"	"C28H32O15"	"608.1741"	"M+K+CF3COOH"	152.95602
"806829"	446.1213	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M"	0
"985831"	427.10291	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-H2O-H"	-19.01839
"76264"	296.406924	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M-3H"	-3.021828
"516553"	445.114024	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M-3H"	-3.021828
"893627"	147.699824	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-3H"	-3.021828
"14751"	445.114024	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M-2H"	-2.014552
"452849"	668.174674	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M-2H"	-2.014552
"826279"	222.053374	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-2H"	-2.014552
"86272"	891.235324	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M-H"	-1.007276
"523645"	1337.356624	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M-H"	-1.007276
"901447"	445.114024	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-H"	-1.007276
"49259"	908.261871	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M-2H+NH4"	16.019271
"491006"	1354.383171	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M-2H+NH4"	16.019271
"872087"	462.140571	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-2H+NH4"	16.019271
"42174"	913.217266	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M-2H+Na"	20.974666
"477360"	1359.338566	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M-2H+Na"	20.974666
"857356"	467.095966	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-2H+Na"	20.974666
"1623972"	467.095966	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Na-2H"	20.974666
"100136"	463.102363	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M-H+Cl"	33.962126
"547358"	686.163013	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M-H+Cl"	33.962126
"941964"	240.041713	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-H+Cl"	33.962126
"281253"	927.212002	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+Cl"	34.969402
"670755"	1373.333302	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+Cl"	34.969402
"1286438"	481.090702	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Cl"	34.969402
"26813"	929.191206	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M-2H+K"	36.948606
"465279"	1375.312506	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M-2H+K"	36.948606
"847823"	483.069906	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-2H+K"	36.948606
"1567667"	483.069906	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+K-2H"	36.948606
"953362"	491.119494	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-H+HCOOH"	44.998194
"371575"	937.240801	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+HCOOH-H"	44.998201
"357282"	951.256451	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+Hac-H"	59.013851
"1502832"	505.135151	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Hac-H"	59.013851
"966362"	513.101451	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-H+NaCOOH"	66.980151
"120739"	481.090702	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+2Cl"	69.938804
"563581"	704.151352	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+2Cl"	69.938804
"1032379"	258.030052	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2Cl"	69.938804
"1255238"	525.040185	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Br"	78.918885
"1311127"	527.096172	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Cl+HCOOH"	80.974872
"1326436"	549.078129	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Cl+NaCOOH"	102.956829
"914218"	559.106886	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M-H+CF3COOH"	112.985586
"1295299"	595.083564	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Cl+CF3COOH"	148.962264
"1367993"	411.108624	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H-2H2O"	-35.012676
"1384396"	429.1186	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H-H2O"	-17.0027
"287363"	893.249876	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+H"	1.007276
"680881"	1339.371176	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+H"	1.007276
"1360509"	447.128576	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H"	1.007276
"134490"	447.128576	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+2H"	2.014552
"572957"	670.189226	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+2H"	2.014552
"1041758"	224.067926	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2H"	2.014552
"207469"	298.421476	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+3H"	3.021828
"648125"	447.128576	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+3H"	3.021828
"1171727"	149.714376	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+3H"	3.021828
"436094"	910.276423	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+NH4"	18.033823
"793809"	1356.397723	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+NH4"	18.033823
"1694152"	464.155123	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+NH4"	18.033823
"341342"	455.6418495	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+H+NH4"	19.041099
"735216"	678.7024995	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+H+NH4"	19.041099
"1487947"	232.5811995	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H+NH4"	19.041099
"404438"	915.231818	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+Na"	22.989218
"756322"	1361.353118	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+Na"	22.989218
"1604786"	469.110518	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Na"	22.989218
"314821"	458.119547	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+H+Na"	23.996494
"707241"	681.180197	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+H+Na"	23.996494
"1462524"	235.058897	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H+Na"	23.996494
"1054433"	157.04169	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2H+Na"	25.00377
"1258176"	479.154786	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+CH3OH+H"	33.033486
"378576"	931.205758	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+K"	38.963158
"741396"	1377.327058	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+K"	38.963158
"1543084"	485.084458	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+K"	38.963158
"305728"	466.106517	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+H+K"	39.970434
"694139"	689.167167	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+H+K"	39.970434
"1449781"	243.045867	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H+K"	39.970434
"247860"	934.276426	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+ACN+H"	42.033826
"1217652"	488.155126	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+ACN+H"	42.033826
"1203723"	244.581201	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+ACN+2H"	43.041102
"195502"	937.21376	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+2Na-H"	44.97116
"637249"	1383.33506	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+2Na-H"	44.97116
"1145128"	491.09246	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2Na-H"	44.97116
"177122"	469.110518	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+2Na"	45.978436
"617044"	692.171168	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+2Na"	45.978436
"1128211"	246.049868	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2Na"	45.978436
"1410639"	164.369004	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H+2Na"	46.985712
"1442755"	493.134046	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H+HCOOH"	47.012746
"233549"	474.14354	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+3H2O+2H"	56.04448
"1522344"	507.18609	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+IsoProp+H"	61.06479
"418021"	477.097488	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+Na+K"	61.952376
"775736"	700.158138	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+Na+K"	61.952376
"1676440"	254.036838	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Na+K"	61.952376
"262959"	956.258368	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+ACN+Na"	64.015768
"1236758"	510.137068	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+ACN+Na"	64.015768
"1723458"	510.160593	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+NH4+HCOOH"	64.039293
"1186630"	171.696318	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+3Na"	68.967654
"1664543"	515.115988	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Na+HCOOH"	68.994688
"169949"	969.16164	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+2K-H"	76.91904
"610480"	1415.28294	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+2K-H"	76.91904
"1089645"	523.04034	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2K-H"	76.91904
"150836"	485.084458	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"2M+2K"	77.926316
"590397"	708.145108	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"3M+2K"	77.926316
"1080378"	262.023808	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2K"	77.926316
"1113223"	525.054892	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2K+H"	78.933592
"1339034"	525.142507	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+DMSO+H"	79.021207
"1006587"	529.181676	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2ACN+H"	83.060376
"1526052"	530.175308	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+IsoProp+Na+H"	84.054008
"993230"	265.094476	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+2ACN+2H"	84.067652
"1588824"	531.089928	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+K+HCOOH"	84.968628
"1414851"	561.121438	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+H+CF3COOH"	115.000138
"1147935"	285.607751	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+3ACN+2H"	125.094202
"1699800"	578.147985	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+NH4+CF3COOH"	132.026685
"1638735"	583.10338	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+Na+CF3COOH"	136.98208
"1586415"	599.07732	"C17835"	"Swertisin"	"C22H22O10"	"446.1213"	"M+K+CF3COOH"	152.95602
"815687"	784.2215	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M"	0
"989509"	765.20311	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-H2O-H"	-19.01839
"78281"	521.807057333333	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M-3H"	-3.021828
"518201"	783.214224	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M-3H"	-3.021828
"894586"	260.399890666667	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-3H"	-3.021828
"15308"	783.214224	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M-2H"	-2.014552
"451867"	1175.324974	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M-2H"	-2.014552
"827483"	391.103474	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-2H"	-2.014552
"85290"	1567.435724	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M-H"	-1.007276
"525943"	2351.657224	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M-H"	-1.007276
"898640"	783.214224	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-H"	-1.007276
"50825"	1584.462271	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M-2H+NH4"	16.019271
"494395"	2368.683771	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M-2H+NH4"	16.019271
"872197"	800.240771	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-2H+NH4"	16.019271
"40097"	1589.417666	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M-2H+Na"	20.974666
"474190"	2373.639166	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M-2H+Na"	20.974666
"852363"	805.196166	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-2H+Na"	20.974666
"1622989"	805.196166	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Na-2H"	20.974666
"96235"	801.202563	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M-H+Cl"	33.962126
"548561"	1193.313313	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M-H+Cl"	33.962126
"942399"	409.091813	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-H+Cl"	33.962126
"282760"	1603.412402	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+Cl"	34.969402
"671959"	2387.633902	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+Cl"	34.969402
"1287156"	819.190902	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Cl"	34.969402
"28016"	1605.391606	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M-2H+K"	36.948606
"466483"	2389.613106	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M-2H+K"	36.948606
"841002"	821.170106	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-2H+K"	36.948606
"1566678"	821.170106	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+K-2H"	36.948606
"956750"	829.219694	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-H+HCOOH"	44.998194
"371686"	1613.441201	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+HCOOH-H"	44.998201
"358120"	1627.456851	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+Hac-H"	59.013851
"1500026"	843.235351	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Hac-H"	59.013851
"966472"	851.201651	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-H+NaCOOH"	66.980151
"120849"	819.190902	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+2Cl"	69.938804
"565149"	1211.301652	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+2Cl"	69.938804
"1036136"	427.080152	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2Cl"	69.938804
"1254254"	863.140385	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Br"	78.918885
"1314516"	865.196372	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Cl+HCOOH"	80.974872
"1329826"	887.178329	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Cl+NaCOOH"	102.956829
"919794"	897.207086	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M-H+CF3COOH"	112.985586
"1295409"	933.183764	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Cl+CF3COOH"	148.962264
"1370290"	749.208824	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H-2H2O"	-35.012676
"1385599"	767.2188	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H-H2O"	-17.0027
"289659"	1569.450276	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+H"	1.007276
"685363"	2353.671776	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+H"	1.007276
"1359526"	785.228776	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H"	1.007276
"135693"	785.228776	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+2H"	2.014552
"575254"	1177.339526	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+2H"	2.014552
"1042961"	393.118026	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2H"	2.014552
"207945"	523.821609333333	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+3H"	3.021828
"650422"	785.228776	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+3H"	3.021828
"1171837"	262.414442666667	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+3H"	3.021828
"437297"	1586.476823	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+NH4"	18.033823
"793916"	2370.698323	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+NH4"	18.033823
"1694990"	802.255323	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+NH4"	18.033823
"343269"	793.7420495	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+H+NH4"	19.041099
"734960"	1185.8527995	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+H+NH4"	19.041099
"1488056"	401.6312995	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H+NH4"	19.041099
"404549"	1591.432218	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+Na"	22.989218
"757892"	2375.653718	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+Na"	22.989218
"1603318"	807.210718	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Na"	22.989218
"317119"	796.219747	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+H+Na"	23.996494
"709544"	1188.330497	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+H+Na"	23.996494
"1463731"	404.108997	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H+Na"	23.996494
"1053082"	269.741756666667	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2H+Na"	25.00377
"1257109"	817.254986	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+CH3OH+H"	33.033486
"377180"	1607.406158	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+K"	38.963158
"742235"	2391.627658	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+K"	38.963158
"1540166"	823.184658	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+K"	38.963158
"305838"	804.206717	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+H+K"	39.970434
"699352"	1196.317467	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+H+K"	39.970434
"1449527"	412.095967	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H+K"	39.970434
"247241"	1610.476826	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+ACN+H"	42.033826
"1221044"	826.255326	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+ACN+H"	42.033826
"1203833"	413.631301	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+ACN+2H"	43.041102
"194519"	1613.41416	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+2Na-H"	44.97116
"635172"	2397.63566	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+2Na-H"	44.97116
"1139771"	829.19266	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2Na-H"	44.97116
"179055"	807.210718	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+2Na"	45.978436
"617154"	1199.321468	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+2Na"	45.978436
"1130752"	415.099968	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2Na"	45.978436
"1407469"	277.069070666667	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H+2Na"	46.985712
"1436304"	831.234246	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H+HCOOH"	47.012746
"231471"	812.24374	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+3H2O+2H"	56.04448
"1521358"	845.28629	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+IsoProp+H"	61.06479
"418135"	815.197688	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+Na+K"	61.952376
"779130"	1207.308438	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+Na+K"	61.952376
"1675461"	423.086938	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Na+K"	61.952376
"264165"	1632.458768	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+ACN+Na"	64.015768
"1239787"	848.237268	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+ACN+Na"	64.015768
"1726489"	848.260793	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+NH4+HCOOH"	64.039293
"1193915"	284.396384666667	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+3Na"	68.967654
"1664169"	853.216188	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Na+HCOOH"	68.994688
"170060"	1645.36204	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+2K-H"	76.91904
"606339"	2429.58354	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+2K-H"	76.91904
"1093034"	861.14054	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2K-H"	76.91904
"155321"	823.184658	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"2M+2K"	77.926316
"589416"	1215.295408	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"3M+2K"	77.926316
"1078298"	431.073908	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2K"	77.926316
"1100690"	863.155092	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2K+H"	78.933592
"1337562"	863.242707	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+DMSO+H"	79.021207
"1007549"	867.281876	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2ACN+H"	83.060376
"1526892"	868.275508	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+IsoProp+Na+H"	84.054008
"992003"	434.144576	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+2ACN+2H"	84.067652
"1589300"	869.190128	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+K+HCOOH"	84.968628
"1416054"	899.221638	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+H+CF3COOH"	115.000138
"1148170"	454.657851	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+3ACN+2H"	125.094202
"1698817"	916.248185	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+NH4+CF3COOH"	132.026685
"1636658"	921.20358	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+Na+CF3COOH"	136.98208
"1586525"	937.17752	"C17836"	"6-Feruloylspinosin"	"C38H40O18"	"784.2215"	"M+K+CF3COOH"	152.95602
"815433"	608.1741	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M"	0
"987142"	589.15571	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-H2O-H"	-19.01839
"78183"	404.442124	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M-3H"	-3.021828
"516408"	607.166824	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M-3H"	-3.021828
"891660"	201.717424	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-3H"	-3.021828
"14607"	607.166824	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M-2H"	-2.014552
"453437"	911.253874	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M-2H"	-2.014552
"829780"	303.079774	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-2H"	-2.014552
"87587"	1215.340924	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M-H"	-1.007276
"527146"	1823.515024	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M-H"	-1.007276
"898385"	607.166824	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-H"	-1.007276
"52759"	1232.367471	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M-2H+NH4"	16.019271
"495234"	1840.541571	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M-2H+NH4"	16.019271
"873401"	624.193371	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-2H+NH4"	16.019271
"40207"	1237.322866	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M-2H+Na"	20.974666
"474300"	1845.496966	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M-2H+Na"	20.974666
"849023"	629.148766	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-2H+Na"	20.974666
"1620547"	629.148766	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Na-2H"	20.974666
"94480"	625.155163	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M-H+Cl"	33.962126
"548306"	929.242213	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M-H+Cl"	33.962126
"940726"	321.068113	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-H+Cl"	33.962126
"280377"	1251.317602	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+Cl"	34.969402
"670976"	1859.491702	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+Cl"	34.969402
"1283377"	643.143502	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Cl"	34.969402
"25939"	1253.296806	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M-2H+K"	36.948606
"464406"	1861.470906	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M-2H+K"	36.948606
"841112"	645.122706	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-2H+K"	36.948606
"1567881"	645.122706	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+K-2H"	36.948606
"956495"	653.172294	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-H+HCOOH"	44.998194
"371792"	1261.346401	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+HCOOH-H"	44.998201
"351302"	1275.362051	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+Hac-H"	59.013851
"1494666"	667.187951	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Hac-H"	59.013851
"963302"	675.154251	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-H+NaCOOH"	66.980151
"117679"	643.143502	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+2Cl"	69.938804
"560519"	947.230552	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+2Cl"	69.938804
"1029321"	339.056452	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2Cl"	69.938804
"1252178"	687.092985	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Br"	78.918885
"1312441"	689.148972	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Cl+HCOOH"	80.974872
"1324470"	711.130929	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Cl+NaCOOH"	102.956829
"914436"	721.159686	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M-H+CF3COOH"	112.985586
"1289323"	757.136364	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Cl+CF3COOH"	148.962264
"1367089"	573.161424	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H-2H2O"	-35.012676
"1387899"	591.1714	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H-H2O"	-17.0027
"288679"	1217.355476	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+H"	1.007276
"685475"	1825.529576	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+H"	1.007276
"1359636"	609.181376	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H"	1.007276
"134710"	609.181376	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+2H"	2.014552
"574271"	913.268426	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+2H"	2.014552
"1039426"	305.094326	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2H"	2.014552
"207691"	406.456676	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+3H"	3.021828
"647252"	609.181376	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+3H"	3.021828
"1169755"	203.731976	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+3H"	3.021828
"435220"	1234.382023	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+NH4"	18.033823
"792932"	1842.556123	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+NH4"	18.033823
"1692546"	626.207923	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+NH4"	18.033823
"343013"	617.6946495	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+H+NH4"	19.041099
"735433"	921.7816995	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+H+NH4"	19.041099
"1489256"	313.6075995	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H+NH4"	19.041099
"401380"	1239.337418	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+Na"	22.989218
"754348"	1847.511518	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+Na"	22.989218
"1605374"	631.163318	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Na"	22.989218
"314673"	620.172347	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+H+Na"	23.996494
"708925"	924.259397	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+H+Na"	23.996494
"1463109"	316.085297	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H+Na"	23.996494
"1055261"	211.05929	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2H+Na"	25.00377
"1258398"	641.207586	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+CH3OH+H"	33.033486
"378433"	1255.311358	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+K"	38.963158
"742345"	1863.485458	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+K"	38.963158
"1541601"	647.137258	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+K"	38.963158
"305948"	628.159317	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+H+K"	39.970434
"693995"	932.246367	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+H+K"	39.970434
"1447814"	324.072267	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H+K"	39.970434
"241884"	1258.382026	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+ACN+H"	42.033826
"1218967"	650.207926	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+ACN+H"	42.033826
"1198840"	325.607601	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+ACN+2H"	43.041102
"194629"	1261.31936	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+2Na-H"	44.97116
"636376"	1869.49346	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+2Na-H"	44.97116
"1138788"	653.14526	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2Na-H"	44.97116
"177708"	631.163318	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+2Na"	45.978436
"617264"	935.250368	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+2Na"	45.978436
"1129891"	327.076268	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2Na"	45.978436
"1407579"	218.386604	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H+2Na"	46.985712
"1436414"	655.186846	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H+HCOOH"	47.012746
"233403"	636.19634	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+3H2O+2H"	56.04448
"1522562"	669.23889	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+IsoProp+H"	61.06479
"419338"	639.150288	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+Na+K"	61.952376
"778146"	943.237338	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+Na+K"	61.952376
"1679580"	335.063238	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Na+K"	61.952376
"263183"	1280.363968	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+ACN+Na"	64.015768
"1240264"	672.189868	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+ACN+Na"	64.015768
"1725871"	672.213393	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+NH4+HCOOH"	64.039293
"1193291"	225.713918	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+3Na"	68.967654
"1664399"	677.168788	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Na+HCOOH"	68.994688
"172792"	1293.26724	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+2K-H"	76.91904
"611917"	1901.44134	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+2K-H"	76.91904
"1092055"	685.09314	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2K-H"	76.91904
"151057"	647.137258	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"2M+2K"	77.926316
"587335"	951.224308	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"3M+2K"	77.926316
"1072942"	343.050208	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2K"	77.926316
"1103235"	687.107692	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2K+H"	78.933592
"1340711"	687.195307	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+DMSO+H"	79.021207
"1006444"	691.234476	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2ACN+H"	83.060376
"1528096"	692.228108	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+IsoProp+Na+H"	84.054008
"992722"	346.120876	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+2ACN+2H"	84.067652
"1591233"	693.142728	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+K+HCOOH"	84.968628
"1419082"	723.174238	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+H+CF3COOH"	115.000138
"1148281"	366.634151	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+3ACN+2H"	125.094202
"1700021"	740.200785	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+NH4+CF3COOH"	132.026685
"1634578"	745.15618	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+Na+CF3COOH"	136.98208
"1586635"	761.13012	"C17837"	"Isospinosin"	"C28H32O15"	"608.1741"	"M+K+CF3COOH"	152.95602
"807159"	276.0998	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M"	0
"983971"	257.08141	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-H2O-H"	-19.01839
"76594"	183.059257333333	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M-3H"	-3.021828
"516154"	275.092524	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M-3H"	-3.021828
"893955"	91.0259906666667	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-3H"	-3.021828
"12527"	275.092524	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M-2H"	-2.014552
"452088"	413.142424	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M-2H"	-2.014552
"828798"	137.042624	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-2H"	-2.014552
"90977"	551.192324	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M-H"	-1.007276
"527256"	827.292124	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M-H"	-1.007276
"900318"	275.092524	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-H"	-1.007276
"53963"	568.218871	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M-2H+NH4"	16.019271
"494616"	844.318671	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M-2H+NH4"	16.019271
"873511"	292.119071	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-2H+NH4"	16.019271
"43598"	573.174266	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M-2H+Na"	20.974666
"477691"	849.274066	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M-2H+Na"	20.974666
"850754"	297.074466	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-2H+Na"	20.974666
"1620292"	297.074466	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Na-2H"	20.974666
"95361"	293.080863	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M-H+Cl"	33.962126
"546593"	431.130763	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M-H+Cl"	33.962126
"937920"	155.030963	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-H+Cl"	33.962126
"280851"	587.169002	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+Cl"	34.969402
"669992"	863.268802	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+Cl"	34.969402
"1282394"	311.069202	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Cl"	34.969402
"22767"	589.148206	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M-2H+K"	36.948606
"462329"	865.248006	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M-2H+K"	36.948606
"834662"	313.048406	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-2H+K"	36.948606
"1565804"	313.048406	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+K-2H"	36.948606
"954780"	321.097994	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-H+HCOOH"	44.998194
"372996"	597.197801	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+HCOOH-H"	44.998201
"351412"	611.213451	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+Hac-H"	59.013851
"1496963"	335.113651	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Hac-H"	59.013851
"966692"	343.079951	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-H+NaCOOH"	66.980151
"117789"	311.069202	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+2Cl"	69.938804
"561723"	449.119102	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+2Cl"	69.938804
"1029431"	173.019302	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2Cl"	69.938804
"1252288"	355.018685	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Br"	78.918885
"1312551"	357.074672	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Cl+HCOOH"	80.974872
"1324579"	379.056629	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Cl+NaCOOH"	102.956829
"914545"	389.085386	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M-H+CF3COOH"	112.985586
"1289187"	425.062064	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Cl+CF3COOH"	148.962264
"1367831"	241.087124	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H-2H2O"	-35.012676
"1388009"	259.0971	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H-H2O"	-17.0027
"289882"	553.206876	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+H"	1.007276
"682305"	829.306676	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+H"	1.007276
"1359746"	277.107076	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H"	1.007276
"130447"	277.107076	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+2H"	2.014552
"568914"	415.156976	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+2H"	2.014552
"1040992"	139.057176	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2H"	2.014552
"207069"	185.073809333333	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+3H"	3.021828
"648453"	277.107076	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+3H"	3.021828
"1168770"	93.0405426666667	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+3H"	3.021828
"430950"	570.233423	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+NH4"	18.033823
"793040"	846.333223	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+NH4"	18.033823
"1689373"	294.133623	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+NH4"	18.033823
"339840"	285.6203495	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+H+NH4"	19.041099
"734452"	423.6702495	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+H+NH4"	19.041099
"1488274"	147.5704495	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H+NH4"	19.041099
"403675"	575.188818	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+Na"	22.989218
"755189"	851.288618	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+Na"	22.989218
"1608400"	299.089018	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Na"	22.989218
"314746"	288.098047	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+H+Na"	23.996494
"710858"	426.147947	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+H+Na"	23.996494
"1465772"	150.048147	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H+Na"	23.996494
"1055373"	100.367856666667	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2H+Na"	25.00377
"1261791"	309.133286	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+CH3OH+H"	33.033486
"384739"	591.162758	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+K"	38.963158
"747922"	867.262558	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+K"	38.963158
"1546694"	315.062958	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+K"	38.963158
"306058"	296.085017	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+H+K"	39.970434
"696292"	434.134917	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+H+K"	39.970434
"1451206"	158.035117	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H+K"	39.970434
"246368"	594.233426	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+ACN+H"	42.033826
"1219806"	318.133626	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+ACN+H"	42.033826
"1199679"	159.570451	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+ACN+2H"	43.041102
"196925"	597.17076	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+2Na-H"	44.97116
"640496"	873.27056	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+2Na-H"	44.97116
"1138898"	321.07096	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2Na-H"	44.97116
"177818"	299.089018	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+2Na"	45.978436
"617010"	437.138918	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+2Na"	45.978436
"1127451"	161.039118	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2Na"	45.978436
"1407325"	107.695170666667	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H+2Na"	46.985712
"1436524"	323.112546	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H+HCOOH"	47.012746
"231692"	304.12204	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+3H2O+2H"	56.04448
"1518661"	337.16459	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+IsoProp+H"	61.06479
"421635"	307.075988	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+Na+K"	61.952376
"781536"	445.125888	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+Na+K"	61.952376
"1677867"	169.026088	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Na+K"	61.952376
"264386"	616.215368	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+ACN+Na"	64.015768
"1240011"	340.115568	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+ACN+Na"	64.015768
"1725981"	340.139093	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+NH4+HCOOH"	64.039293
"1188055"	115.022484666667	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+3Na"	68.967654
"1664388"	345.094488	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Na+HCOOH"	68.994688
"172815"	629.11864	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+2K-H"	76.91904
"610933"	905.21844	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+2K-H"	76.91904
"1092166"	353.01884	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2K-H"	76.91904
"153356"	315.062958	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"2M+2K"	77.926316
"588539"	453.112858	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"3M+2K"	77.926316
"1078520"	177.013058	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2K"	77.926316
"1105168"	355.033392	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2K+H"	78.933592
"1341551"	355.121007	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+DMSO+H"	79.021207
"1008986"	359.160176	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2ACN+H"	83.060376
"1526384"	360.153808	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+IsoProp+Na+H"	84.054008
"992468"	180.083726	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+2ACN+2H"	84.067652
"1591343"	361.068428	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+K+HCOOH"	84.968628
"1419192"	391.099938	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+H+CF3COOH"	115.000138
"1148390"	200.597001	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+3ACN+2H"	125.094202
"1700131"	408.126485	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+NH4+CF3COOH"	132.026685
"1635782"	413.08188	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+Na+CF3COOH"	136.98208
"1586745"	429.05582	"C17838"	"Visamminol"	"C15H16O5"	"276.0998"	"M+K+CF3COOH"	152.95602
"806176"	327.1107	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M"	0
"981894"	308.09231	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-H2O-H"	-19.01839
"76705"	217.066524	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M-3H"	-3.021828
"516994"	326.103424	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M-3H"	-3.021828
"892972"	108.029624	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-3H"	-3.021828
"11544"	326.103424	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M-2H"	-2.014552
"451104"	489.658774	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M-2H"	-2.014552
"828906"	162.548074	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-2H"	-2.014552
"86713"	653.214124	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M-H"	-1.007276
"524086"	980.324824	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M-H"	-1.007276
"902980"	326.103424	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-H"	-1.007276
"57353"	670.240671	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M-2H+NH4"	16.019271
"494726"	997.351371	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M-2H+NH4"	16.019271
"873621"	343.129971	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-2H+NH4"	16.019271
"40428"	675.196066	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M-2H+Na"	20.974666
"477801"	1002.306766	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M-2H+Na"	20.974666
"850499"	348.085366	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-2H+Na"	20.974666
"1620766"	348.085366	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Na-2H"	20.974666
"95836"	344.091763	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M-H+Cl"	33.962126
"545975"	507.647113	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M-H+Cl"	33.962126
"937666"	180.536413	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-H+Cl"	33.962126
"280476"	689.190802	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+Cl"	34.969402
"669008"	1016.301502	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+Cl"	34.969402
"1282504"	362.080102	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Cl"	34.969402
"25064"	691.170006	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M-2H+K"	36.948606
"464626"	1018.280706	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M-2H+K"	36.948606
"836959"	364.059306	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-2H+K"	36.948606
"1559353"	364.059306	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+K-2H"	36.948606
"954890"	372.108894	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-H+HCOOH"	44.998194
"370918"	699.219601	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+HCOOH-H"	44.998201
"351520"	713.235251	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+Hac-H"	59.013851
"1498166"	386.124551	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Hac-H"	59.013851
"966802"	394.090851	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-H+NaCOOH"	66.980151
"121908"	362.080102	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+2Cl"	69.938804
"561103"	525.635452	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+2Cl"	69.938804
"1031728"	198.524752	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2Cl"	69.938804
"1253491"	406.029585	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Br"	78.918885
"1312661"	408.085572	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Cl+HCOOH"	80.974872
"1326876"	430.067529	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Cl+NaCOOH"	102.956829
"915018"	440.096286	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M-H+CF3COOH"	112.985586
"1290270"	476.072964	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Cl+CF3COOH"	148.962264
"1368430"	292.098024	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H-2H2O"	-35.012676
"1390307"	310.108	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H-H2O"	-17.0027
"293274"	655.228676	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+H"	1.007276
"684602"	982.339376	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+H"	1.007276
"1358763"	328.117976	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H"	1.007276
"130557"	328.117976	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+2H"	2.014552
"569388"	491.673326	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+2H"	2.014552
"1041466"	164.562626	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2H"	2.014552
"207178"	219.081076	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+3H"	3.021828
"647469"	328.117976	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+3H"	3.021828
"1166694"	110.044176	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+3H"	3.021828
"428144"	672.255223	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+NH4"	18.033823
"793150"	999.365923	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+NH4"	18.033823
"1689483"	345.144523	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+NH4"	18.033823
"336668"	336.6312495	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+H+NH4"	19.041099
"731280"	500.1865995	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+H+NH4"	19.041099
"1488384"	173.0758995	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H+NH4"	19.041099
"405972"	677.210618	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+Na"	22.989218
"759309"	1004.321318	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+Na"	22.989218
"1606323"	350.099918	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Na"	22.989218
"314816"	339.108947	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+H+Na"	23.996494
"713154"	502.664297	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+H+Na"	23.996494
"1466976"	175.553597	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H+Na"	23.996494
"1056942"	117.37149	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2H+Na"	25.00377
"1262994"	360.144186	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+CH3OH+H"	33.033486
"384849"	693.184558	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+K"	38.963158
"748033"	1020.295258	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+K"	38.963158
"1548991"	366.073858	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+K"	38.963158
"307261"	347.095917	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+H+K"	39.970434
"697495"	510.651267	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+H+K"	39.970434
"1450951"	183.540567	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H+K"	39.970434
"246115"	696.255226	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+ACN+H"	42.033826
"1218823"	369.144526	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+ACN+H"	42.033826
"1204164"	185.075901	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+ACN+2H"	43.041102
"199222"	699.19256	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+2Na-H"	44.97116
"641700"	1026.30326	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+2Na-H"	44.97116
"1139008"	372.08186	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2Na-H"	44.97116
"180115"	350.099918	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+2Na"	45.978436
"617120"	513.655268	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+2Na"	45.978436
"1127196"	186.544568	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2Na"	45.978436
"1410354"	124.698804	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H+2Na"	46.985712
"1436634"	374.123446	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H+HCOOH"	47.012746
"232895"	355.13294	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+3H2O+2H"	56.04448
"1518042"	388.17549	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+IsoProp+H"	61.06479
"419559"	358.086888	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+Na+K"	61.952376
"780554"	521.642238	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+Na+K"	61.952376
"1676884"	194.531538	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Na+K"	61.952376
"262310"	718.237168	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+ACN+Na"	64.015768
"1235019"	391.126468	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+ACN+Na"	64.015768
"1722811"	391.149993	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+NH4+HCOOH"	64.039293
"1192418"	132.026118	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+3Na"	68.967654
"1661338"	396.105388	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Na+HCOOH"	68.994688
"170386"	731.14044	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+2K-H"	76.91904
"609949"	1058.25114	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+2K-H"	76.91904
"1090090"	404.02974	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2K-H"	76.91904
"150185"	366.073858	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"2M+2K"	77.926316
"588651"	529.629208	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"3M+2K"	77.926316
"1071340"	202.518508	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2K"	77.926316
"1105278"	406.044292	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2K+H"	78.933592
"1346036"	406.131907	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+DMSO+H"	79.021207
"1008003"	410.171076	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2ACN+H"	83.060376
"1527223"	411.164708	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+IsoProp+Na+H"	84.054008
"991361"	205.589176	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+2ACN+2H"	84.067652
"1591455"	412.079328	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+K+HCOOH"	84.968628
"1417844"	442.110838	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+H+CF3COOH"	115.000138
"1150686"	226.102451	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+3ACN+2H"	125.094202
"1704616"	459.137385	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+NH4+CF3COOH"	132.026685
"1636988"	464.09278	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+Na+CF3COOH"	136.98208
"1586855"	480.06672	"C17839"	"Terrestriamide"	"C18H17NO5"	"327.1107"	"M+K+CF3COOH"	152.95602
"810659"	192.0786	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M"	0
"985284"	173.06021	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"77061"	127.045124	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"518321"	191.071324	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"895027"	63.018924	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"13840"	191.071324	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"452307"	287.110624	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"830110"	95.032024	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"90104"	383.149924	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"529663"	575.228524	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"906370"	191.071324	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"62672"	400.176471	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"500303"	592.255071	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"878593"	208.097871	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"43818"	405.131866	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"474995"	597.210466	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"853524"	213.053266	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1620512"	213.053266	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"97406"	209.059663	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"546813"	305.098963	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"939233"	113.020363	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"279979"	419.126602	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"670211"	611.205202	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1282614"	227.048002	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"25174"	421.105806	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"465830"	613.184406	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"839256"	229.027206	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1560556"	229.027206	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"955001"	237.076794	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"369935"	429.155401	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"351630"	443.171051	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1500463"	251.092451	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"962535"	259.058751	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"122018"	227.048002	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"562670"	323.087302	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1029651"	131.008702	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1253601"	270.997485	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1313865"	273.053472	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1328080"	295.035429	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"918046"	305.064186	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1295845"	341.040864	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1368545"	157.065924	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1386039"	175.0759	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"293384"	385.164476	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"684712"	577.243076	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1361060"	193.085876	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"130667"	193.085876	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"570591"	289.125176	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1041940"	97.046576	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"208017"	129.059676	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"647580"	193.085876	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1171180"	65.033476	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"432265"	402.191023	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"797636"	594.269623	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1690686"	210.112423	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"337872"	201.5991495	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"731385"	297.6384495	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1488493"	105.5598495	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"406081"	407.146418	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"761607"	599.225018	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1607522"	215.067818	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"316952"	204.076847	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"714358"	300.116147	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1470366"	108.037547	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1060333"	72.36079	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1266384"	225.112086	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"390426"	423.120358	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"747049"	615.198958	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1549101"	231.041758	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"303724"	212.063817	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"702343"	308.103117	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1451060"	116.024517	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"245860"	426.191026	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1220390"	234.112426	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1205366"	117.559851	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"200792"	429.12836	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"642785"	621.20696	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1141305"	237.04976	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"183500"	215.067818	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"618323"	311.107118	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1127671"	119.028518	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1409007"	79.688104	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1436744"	239.091346	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"230820"	220.10084	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1517059"	253.14339	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"419304"	223.054788	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"780299"	319.094088	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1671527"	127.015488	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"261327"	448.172968	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1234036"	256.094368	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1722920"	256.117893	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1190463"	87.015418	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1660355"	261.073288	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"168310"	461.07624	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"610060"	653.15484	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1089469"	268.99764	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"149201"	231.041758	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"585479"	327.081058	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1070720"	135.002458	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1110856"	271.012192	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1345052"	271.099807	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1008113"	275.138976	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1526480"	276.132608	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"991107"	138.073126	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1590472"	277.047228	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1417589"	307.078738	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1148245"	158.586401	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1704726"	324.105285	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1637098"	329.06068	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1586965"	345.03462	"C17840"	"Dehydrozingerone"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"807489"	488.3502	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M"	0
"982114"	469.33181	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-H2O-H"	-19.01839
"78450"	324.559524	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M-3H"	-3.021828
"517210"	487.342924	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M-3H"	-3.021828
"895600"	161.776124	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-3H"	-3.021828
"14315"	487.342924	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M-2H"	-2.014552
"452417"	731.518024	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M-2H"	-2.014552
"829126"	243.167824	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-2H"	-2.014552
"90214"	975.693124	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M-H"	-1.007276
"529773"	1464.043324	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M-H"	-1.007276
"908667"	487.342924	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-H"	-1.007276
"57573"	992.719671	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M-2H+NH4"	16.019271
"494946"	1481.069871	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M-2H+NH4"	16.019271
"878215"	504.369471	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-2H+NH4"	16.019271
"40648"	997.675066	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M-2H+Na"	20.974666
"474741"	1486.025266	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M-2H+Na"	20.974666
"852540"	509.324866	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-2H+Na"	20.974666
"1620496"	509.324866	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Na-2H"	20.974666
"97516"	505.331263	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M-H+Cl"	33.962126
"545831"	749.506363	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M-H+Cl"	33.962126
"939343"	261.156163	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-H+Cl"	33.962126
"280089"	1011.669802	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+Cl"	34.969402
"669229"	1500.020002	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+Cl"	34.969402
"1280538"	523.319602	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Cl"	34.969402
"25284"	1013.649006	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M-2H+K"	36.948606
"467033"	1501.999206	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M-2H+K"	36.948606
"839366"	525.298806	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-2H+K"	36.948606
"1559573"	525.298806	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+K-2H"	36.948606
"954018"	533.348394	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-H+HCOOH"	44.998194
"370045"	1021.698601	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+HCOOH-H"	44.998201
"350647"	1035.714251	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+Hac-H"	59.013851
"1500573"	547.364051	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Hac-H"	59.013851
"963738"	555.330351	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-H+NaCOOH"	66.980151
"122492"	523.319602	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+2Cl"	69.938804
"562051"	767.494702	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+2Cl"	69.938804
"1029761"	279.144502	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2Cl"	69.938804
"1253711"	567.269085	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Br"	78.918885
"1313975"	569.325072	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Cl+HCOOH"	80.974872
"1328190"	591.307029	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Cl+NaCOOH"	102.956829
"919248"	601.335786	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M-H+CF3COOH"	112.985586
"1295954"	637.312464	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Cl+CF3COOH"	148.962264
"1368655"	453.337524	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H-2H2O"	-35.012676
"1385056"	471.3475	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H-H2O"	-17.0027
"290214"	977.707676	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+H"	1.007276
"684822"	1466.057876	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+H"	1.007276
"1361170"	489.357476	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H"	1.007276
"130777"	489.357476	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+2H"	2.014552
"570701"	733.532576	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+2H"	2.014552
"1041686"	245.182376	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2H"	2.014552
"207762"	326.574076	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+3H"	3.021828
"647687"	489.357476	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+3H"	3.021828
"1170196"	163.790676	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+3H"	3.021828
"432375"	994.734223	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+NH4"	18.033823
"792275"	1483.084423	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+NH4"	18.033823
"1685328"	506.384023	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+NH4"	18.033823
"336888"	497.8707495	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+H+NH4"	19.041099
"729307"	742.0458495	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+H+NH4"	19.041099
"1487510"	253.6956495	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H+NH4"	19.041099
"401815"	999.689618	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+Na"	22.989218
"757708"	1488.039818	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+Na"	22.989218
"1605446"	511.339418	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Na"	22.989218
"315114"	500.348447	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+H+Na"	23.996494
"712280"	744.523547	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+H+Na"	23.996494
"1470476"	256.173347	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H+Na"	23.996494
"1058256"	171.11799	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2H+Na"	25.00377
"1264308"	521.383686	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+CH3OH+H"	33.033486
"387256"	1015.663558	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+K"	38.963158
"749345"	1504.013758	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+K"	38.963158
"1545201"	527.313358	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+K"	38.963158
"302012"	508.335417	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+H+K"	39.970434
"702453"	752.510517	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+H+K"	39.970434
"1452629"	264.160317	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H+K"	39.970434
"243420"	1018.734226	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+ACN+H"	42.033826
"1219408"	530.384026	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+ACN+H"	42.033826
"1203289"	265.695651	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+ACN+2H"	43.041102
"197256"	1021.67156	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+2Na-H"	44.97116
"635722"	1510.02176	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+2Na-H"	44.97116
"1141414"	533.32136	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2Na-H"	44.97116
"180330"	511.339418	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+2Na"	45.978436
"616247"	755.514518	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+2Na"	45.978436
"1126319"	267.164318	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2Na"	45.978436
"1408019"	178.445304	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H+2Na"	46.985712
"1433573"	535.362946	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H+HCOOH"	47.012746
"228739"	516.37244	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+3H2O+2H"	56.04448
"1518987"	549.41499	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+IsoProp+H"	61.06479
"411030"	519.326388	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+Na+K"	61.952376
"776399"	763.501488	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+Na+K"	61.952376
"1669448"	275.151288	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Na+K"	61.952376
"259248"	1040.716168	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+ACN+Na"	64.015768
"1236332"	552.365968	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+ACN+Na"	64.015768
"1721935"	552.389493	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+NH4+HCOOH"	64.039293
"1185102"	185.772618	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+3Na"	68.967654
"1659372"	557.344888	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Na+HCOOH"	68.994688
"167326"	1053.61944	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+2K-H"	76.91904
"605794"	1541.96964	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+2K-H"	76.91904
"1089942"	565.26924	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2K-H"	76.91904
"147124"	527.313358	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"2M+2K"	77.926316
"585593"	771.488458	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"3M+2K"	77.926316
"1071559"	283.138258	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2K"	77.926316
"1110965"	567.283792	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2K+H"	78.933592
"1344068"	567.371407	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+DMSO+H"	79.021207
"1007372"	571.410576	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2ACN+H"	83.060376
"1525131"	572.404208	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+IsoProp+Na+H"	84.054008
"991096"	286.208926	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+2ACN+2H"	84.067652
"1587786"	573.318828	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+K+HCOOH"	84.968628
"1415512"	603.350338	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+H+CF3COOH"	115.000138
"1148355"	306.722201	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+3ACN+2H"	125.094202
"1701554"	620.376885	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+NH4+CF3COOH"	132.026685
"1635140"	625.33228	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+Na+CF3COOH"	136.98208
"1577234"	641.30622	"C17841"	"Dahurinol"	"C30H48O5"	"488.3502"	"M+K+CF3COOH"	152.95602
"807599"	486.3345	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M"	0
"981131"	467.31611	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-H2O-H"	-19.01839
"78211"	323.215724	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M-3H"	-3.021828
"518176"	485.327224	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M-3H"	-3.021828
"893670"	161.104224	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-3H"	-3.021828
"11873"	485.327224	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M-2H"	-2.014552
"452527"	728.494474	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M-2H"	-2.014552
"828143"	242.159974	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-2H"	-2.014552
"93117"	971.661724	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M-H"	-1.007276
"529882"	1457.996224	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M-H"	-1.007276
"907684"	485.327224	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-H"	-1.007276
"56591"	988.688271	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M-2H+NH4"	16.019271
"499431"	1475.022771	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M-2H+NH4"	16.019271
"877233"	502.353771	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-2H+NH4"	16.019271
"40759"	993.643666	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M-2H+Na"	20.974666
"475215"	1479.978166	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M-2H+Na"	20.974666
"850465"	507.309166	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-2H+Na"	20.974666
"1619637"	507.309166	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Na-2H"	20.974666
"96533"	503.315563	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M-H+Cl"	33.962126
"545941"	746.482813	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M-H+Cl"	33.962126
"939453"	260.148313	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-H+Cl"	33.962126
"279105"	1007.638402	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+Cl"	34.969402
"668245"	1493.972902	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+Cl"	34.969402
"1280647"	521.303902	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Cl"	34.969402
"27581"	1009.617606	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M-2H+K"	36.948606
"466050"	1495.952106	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M-2H+K"	36.948606
"842756"	523.283106	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-2H+K"	36.948606
"1560776"	523.283106	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+K-2H"	36.948606
"954128"	531.332694	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-H+HCOOH"	44.998194
"370155"	1017.667201	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+HCOOH-H"	44.998201
"350757"	1031.682851	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+Hac-H"	59.013851
"1500683"	545.348351	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Hac-H"	59.013851
"964941"	553.314651	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-H+NaCOOH"	66.980151
"113123"	521.303902	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+2Cl"	69.938804
"563254"	764.471152	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+2Cl"	69.938804
"1032055"	278.136652	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2Cl"	69.938804
"1253823"	565.253385	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Br"	78.918885
"1314085"	567.309372	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Cl+HCOOH"	80.974872
"1330487"	589.291329	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Cl+NaCOOH"	102.956829
"918266"	599.320086	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M-H+CF3COOH"	112.985586
"1296065"	635.296764	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Cl+CF3COOH"	148.962264
"1369858"	451.321824	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H-2H2O"	-35.012676
"1386260"	469.3318	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H-H2O"	-17.0027
"292511"	973.676276	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+H"	1.007276
"684932"	1460.010776	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+H"	1.007276
"1362373"	487.341776	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H"	1.007276
"133073"	487.341776	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+2H"	2.014552
"570447"	730.509026	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+2H"	2.014552
"1043618"	244.174526	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2H"	2.014552
"209330"	325.230276	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+3H"	3.021828
"647796"	487.341776	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+3H"	3.021828
"1167750"	163.118776	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+3H"	3.021828
"431390"	990.702823	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+NH4"	18.033823
"792387"	1477.037323	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+NH4"	18.033823
"1685438"	504.368323	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+NH4"	18.033823
"336998"	495.8550495	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+H+NH4"	19.041099
"728325"	739.0222995	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+H+NH4"	19.041099
"1486527"	252.6877995	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H+NH4"	19.041099
"401925"	995.658218	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+Na"	22.989218
"760734"	1481.992718	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+Na"	22.989218
"1605557"	509.323718	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Na"	22.989218
"316686"	498.332747	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+H+Na"	23.996494
"714576"	741.499997	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+H+Na"	23.996494
"1465115"	255.165497	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H+Na"	23.996494
"1061645"	170.44609	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2H+Na"	25.00377
"1265510"	519.367986	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+CH3OH+H"	33.033486
"388459"	1011.632158	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+K"	38.963158
"747268"	1497.966658	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+K"	38.963158
"1546040"	525.297658	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+K"	38.963158
"305404"	506.319717	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+H+K"	39.970434
"703292"	749.486967	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+H+K"	39.970434
"1451647"	263.152467	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H+K"	39.970434
"244621"	1014.702826	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+ACN+H"	42.033826
"1219518"	528.368326	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+ACN+H"	42.033826
"1203398"	264.687801	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+ACN+2H"	43.041102
"195179"	1017.64016	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+2Na-H"	44.97116
"635832"	1503.97466	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+2Na-H"	44.97116
"1141524"	531.30566	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2Na-H"	44.97116
"181533"	509.323718	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+2Na"	45.978436
"616356"	752.490968	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+2Na"	45.978436
"1127523"	266.156468	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2Na"	45.978436
"1408129"	177.773404	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H+2Na"	46.985712
"1433683"	533.347246	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H+HCOOH"	47.012746
"226662"	514.35674	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+3H2O+2H"	56.04448
"1515817"	547.39929	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+IsoProp+H"	61.06479
"414420"	517.310688	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+Na+K"	61.952376
"775416"	760.477938	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+Na+K"	61.952376
"1668829"	274.143438	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Na+K"	61.952376
"258265"	1036.684768	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+ACN+Na"	64.015768
"1233161"	550.350268	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+ACN+Na"	64.015768
"1719859"	550.373793	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+NH4+HCOOH"	64.039293
"1186306"	185.100718	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+3Na"	68.967654
"1660575"	555.329188	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Na+HCOOH"	68.994688
"164155"	1049.58804	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+2K-H"	76.91904
"606996"	1535.92254	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+2K-H"	76.91904
"1093699"	563.25354	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2K-H"	76.91904
"145413"	525.297658	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"2M+2K"	77.926316
"586797"	768.464908	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"3M+2K"	77.926316
"1075678"	282.130408	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2K"	77.926316
"1108889"	565.268092	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2K+H"	78.933592
"1343083"	565.355707	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+DMSO+H"	79.021207
"1008334"	569.394876	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2ACN+H"	83.060376
"1527552"	570.388508	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+IsoProp+Na+H"	84.054008
"995095"	285.201076	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+2ACN+2H"	84.067652
"1589599"	571.303128	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+K+HCOOH"	84.968628
"1414408"	601.334638	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+H+CF3COOH"	115.000138
"1148465"	305.714351	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+3ACN+2H"	125.094202
"1699477"	618.361185	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+NH4+CF3COOH"	132.026685
"1634884"	623.31658	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+Na+CF3COOH"	136.98208
"1577344"	639.29052	"C17842"	"Acerinol"	"C30H46O5"	"486.3345"	"M+K+CF3COOH"	152.95602
"807709"	216.0423	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M"	0
"983428"	197.02391	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-H2O-H"	-19.01839
"77754"	143.020924	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M-3H"	-3.021828
"517070"	215.035024	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M-3H"	-3.021828
"893414"	71.006824	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-3H"	-3.021828
"14049"	215.035024	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M-2H"	-2.014552
"453610"	323.056174	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M-2H"	-2.014552
"830198"	107.013874	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-2H"	-2.014552
"92378"	431.077324	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M-H"	-1.007276
"528900"	647.119624	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M-H"	-1.007276
"904515"	215.035024	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-H"	-1.007276
"56701"	448.103871	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M-2H+NH4"	16.019271
"499541"	664.146171	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M-2H+NH4"	16.019271
"876250"	232.061571	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-2H+NH4"	16.019271
"40869"	453.059266	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M-2H+Na"	20.974666
"476418"	669.101566	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M-2H+Na"	20.974666
"850575"	237.016966	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-2H+Na"	20.974666
"1621569"	237.016966	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Na-2H"	20.974666
"98827"	233.023363	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M-H+Cl"	33.962126
"547022"	341.044513	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M-H+Cl"	33.962126
"937377"	125.002213	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-H+Cl"	33.962126
"278851"	467.054002	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+Cl"	34.969402
"667262"	683.096302	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+Cl"	34.969402
"1278571"	251.011702	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Cl"	34.969402
"26598"	469.033206	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M-2H+K"	36.948606
"468347"	685.075506	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M-2H+K"	36.948606
"839586"	252.990906	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-2H+K"	36.948606
"1560886"	252.990906	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+K-2H"	36.948606
"956424"	261.040494	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-H+HCOOH"	44.998194
"369172"	477.082801	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+HCOOH-H"	44.998201
"350867"	491.098451	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+Hac-H"	59.013851
"1500793"	275.056151	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Hac-H"	59.013851
"960313"	283.022451	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-H+NaCOOH"	66.980151
"113233"	251.011702	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+2Cl"	69.938804
"560084"	359.032852	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+2Cl"	69.938804
"1033258"	142.990552	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2Cl"	69.938804
"1255878"	294.961185	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Br"	78.918885
"1315288"	297.017172	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Cl+HCOOH"	80.974872
"1328410"	318.999129	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Cl+NaCOOH"	102.956829
"920560"	329.027886	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M-H+CF3COOH"	112.985586
"1290709"	365.004564	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Cl+CF3COOH"	148.962264
"1368875"	181.029624	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H-2H2O"	-35.012676
"1386370"	199.0396	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H-H2O"	-17.0027
"292621"	433.091876	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+H"	1.007276
"683949"	649.134176	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+H"	1.007276
"1361390"	217.049576	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H"	1.007276
"133183"	217.049576	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+2H"	2.014552
"570192"	325.070726	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+2H"	2.014552
"1041906"	109.028426	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2H"	2.014552
"209805"	145.035476	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+3H"	3.021828
"647907"	217.049576	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+3H"	3.021828
"1168588"	73.021376	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+3H"	3.021828
"431500"	450.118423	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+NH4"	18.033823
"793590"	666.160723	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+NH4"	18.033823
"1686641"	234.076123	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+NH4"	18.033823
"338201"	225.5628495	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+H+NH4"	19.041099
"727342"	333.5839995	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+H+NH4"	19.041099
"1485544"	117.5416995	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H+NH4"	19.041099
"402035"	455.073818	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+Na"	22.989218
"756835"	671.116118	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+Na"	22.989218
"1603480"	239.031518	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Na"	22.989218
"315702"	228.040547	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+H+Na"	23.996494
"711406"	336.061697	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+H+Na"	23.996494
"1462061"	120.019397	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H+Na"	23.996494
"1060663"	80.34869	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2H+Na"	25.00377
"1265620"	249.075786	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+CH3OH+H"	33.033486
"385289"	471.047758	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+K"	38.963158
"744098"	687.090058	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+K"	38.963158
"1543963"	255.005458	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+K"	38.963158
"304420"	236.027517	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+H+K"	39.970434
"699028"	344.048667	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+H+K"	39.970434
"1449569"	128.006367	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H+K"	39.970434
"238535"	474.118426	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+ACN+H"	42.033826
"1216346"	258.076126	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+ACN+H"	42.033826
"1201321"	129.541701	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+ACN+2H"	43.041102
"193467"	477.05576	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+2Na-H"	44.97116
"634849"	693.09806	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+2Na-H"	44.97116
"1136166"	261.01346	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2Na-H"	44.97116
"178363"	239.031518	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+2Na"	45.978436
"613549"	347.052668	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+2Na"	45.978436
"1127633"	131.010368	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2Na"	45.978436
"1408239"	87.676004	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H+2Na"	46.985712
"1433793"	263.055046	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H+HCOOH"	47.012746
"226772"	244.06454	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+3H2O+2H"	56.04448
"1515927"	277.10709	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+IsoProp+H"	61.06479
"413437"	247.018488	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+Na+K"	61.952376
"775524"	355.039638	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+Na+K"	61.952376
"1671127"	138.997338	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Na+K"	61.952376
"259469"	496.100368	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+ACN+Na"	64.015768
"1235457"	280.058068	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+ACN+Na"	64.015768
"1719969"	280.081593	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+NH4+HCOOH"	64.039293
"1186416"	95.003318	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+3Na"	68.967654
"1660685"	285.036988	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Na+HCOOH"	68.994688
"163172"	509.00364	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+2K-H"	76.91904
"607106"	725.04594	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+2K-H"	76.91904
"1094902"	292.96134	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2K-H"	76.91904
"150626"	255.005458	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"2M+2K"	77.926316
"590187"	363.026608	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"3M+2K"	77.926316
"1076882"	146.984308	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2K"	77.926316
"1110093"	294.975892	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2K+H"	78.933592
"1342101"	295.063507	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+DMSO+H"	79.021207
"1010630"	299.102676	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2ACN+H"	83.060376
"1527662"	300.096308	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+IsoProp+Na+H"	84.054008
"993382"	150.054976	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+2ACN+2H"	84.067652
"1588618"	301.010928	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+K+HCOOH"	84.968628
"1416464"	331.042438	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+H+CF3COOH"	115.000138
"1151128"	170.568251	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+3ACN+2H"	125.094202
"1701774"	348.068985	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+NH4+CF3COOH"	132.026685
"1635240"	353.02438	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+Na+CF3COOH"	136.98208
"1577454"	368.99832	"C17843"	"Norvisnagin"	"C12H8O4"	"216.0423"	"M+K+CF3COOH"	152.95602
"807819"	370.1416	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M"	0
"984631"	351.12321	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-H2O-H"	-19.01839
"77257"	245.753790666667	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M-3H"	-3.021828
"517903"	369.134324	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M-3H"	-3.021828
"894253"	122.373257333333	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-3H"	-3.021828
"12091"	369.134324	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M-2H"	-2.014552
"452747"	554.205124	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M-2H"	-2.014552
"830550"	184.063524	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-2H"	-2.014552
"92609"	739.275924	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M-H"	-1.007276
"527916"	1109.417524	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M-H"	-1.007276
"905717"	369.134324	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-H"	-1.007276
"56811"	756.302471	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M-2H+NH4"	16.019271
"500744"	1126.444071	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M-2H+NH4"	16.019271
"876360"	386.160871	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-2H+NH4"	16.019271
"40979"	761.257866	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M-2H+Na"	20.974666
"478351"	1131.399466	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M-2H+Na"	20.974666
"850685"	391.116266	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-2H+Na"	20.974666
"1623137"	391.116266	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Na-2H"	20.974666
"102218"	387.122663	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M-H+Cl"	33.962126
"537770"	572.193463	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M-H+Cl"	33.962126
"937487"	202.051863	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-H+Cl"	33.962126
"278232"	775.252602	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+Cl"	34.969402
"667372"	1145.394202	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+Cl"	34.969402
"1278681"	405.111002	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Cl"	34.969402
"26708"	777.231806	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M-2H+K"	36.948606
"467363"	1147.373406	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M-2H+K"	36.948606
"838603"	407.090206	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-2H+K"	36.948606
"1558809"	407.090206	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+K-2H"	36.948606
"955441"	415.139794	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-H+HCOOH"	44.998194
"369282"	785.281401	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+HCOOH-H"	44.998201
"353164"	799.297051	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+Hac-H"	59.013851
"1503819"	429.155451	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Hac-H"	59.013851
"962975"	437.121751	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-H+NaCOOH"	66.980151
"114072"	405.111002	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+2Cl"	69.938804
"560194"	590.181802	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+2Cl"	69.938804
"1033368"	220.040202	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2Cl"	69.938804
"1255865"	449.060485	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Br"	78.918885
"1313208"	451.116472	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Cl+HCOOH"	80.974872
"1327427"	473.098429	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Cl+NaCOOH"	102.956829
"918485"	483.127186	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M-H+CF3COOH"	112.985586
"1294100"	519.103864	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Cl+CF3COOH"	148.962264
"1368985"	335.128924	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H-2H2O"	-35.012676
"1388667"	353.1389	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H-H2O"	-17.0027
"291638"	741.290476	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+H"	1.007276
"686246"	1111.432076	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+H"	1.007276
"1360407"	371.148876	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H"	1.007276
"133294"	371.148876	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+2H"	2.014552
"569938"	556.219676	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+2H"	2.014552
"1040923"	186.078076	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2H"	2.014552
"211009"	247.768342666667	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+3H"	3.021828
"646196"	371.148876	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+3H"	3.021828
"1165780"	124.387809333333	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+3H"	3.021828
"431610"	758.317023	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+NH4"	18.033823
"792606"	1128.458623	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+NH4"	18.033823
"1690028"	388.175423	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+NH4"	18.033823
"335754"	379.6621495	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+H+NH4"	19.041099
"730730"	564.7329495	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+H+NH4"	19.041099
"1487840"	194.5913495	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H+NH4"	19.041099
"403240"	763.272418	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+Na"	22.989218
"756944"	1133.414018	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+Na"	22.989218
"1605046"	393.130818	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Na"	22.989218
"317268"	382.139847	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+H+Na"	23.996494
"711516"	567.210647	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+H+Na"	23.996494
"1462781"	197.069047	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H+Na"	23.996494
"1056397"	131.715123333333	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2H+Na"	25.00377
"1258681"	403.175086	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+CH3OH+H"	33.033486
"387586"	779.246358	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+K"	38.963158
"744208"	1149.387958	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+K"	38.963158
"1542980"	409.104758	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+K"	38.963158
"298744"	390.126817	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+H+K"	39.970434
"694399"	575.197617	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+H+K"	39.970434
"1447856"	205.056017	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H+K"	39.970434
"238645"	782.317026	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+ACN+H"	42.033826
"1211717"	412.175426	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+ACN+H"	42.033826
"1199244"	206.591351	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+ACN+2H"	43.041102
"193574"	785.25436	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+2Na-H"	44.97116
"636051"	1155.39596	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+2Na-H"	44.97116
"1136640"	415.11276	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2Na-H"	44.97116
"177378"	393.130818	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+2Na"	45.978436
"614385"	578.201618	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+2Na"	45.978436
"1128836"	208.060018	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2Na"	45.978436
"1408349"	139.042437333333	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H+2Na"	46.985712
"1432809"	417.154346	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H+HCOOH"	47.012746
"227975"	398.16384	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+3H2O+2H"	56.04448
"1517130"	431.20639	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+IsoProp+H"	61.06479
"415733"	401.117788	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+Na+K"	61.952376
"776728"	586.188588	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+Na+K"	61.952376
"1674153"	216.046988	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Na+K"	61.952376
"259579"	804.298968	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+ACN+Na"	64.015768
"1235567"	434.157368	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+ACN+Na"	64.015768
"1720079"	434.180893	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+NH4+HCOOH"	64.039293
"1184339"	146.369751333333	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+3Na"	68.967654
"1660795"	439.136288	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Na+HCOOH"	68.994688
"164375"	817.20224	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+2K-H"	76.91904
"607217"	1187.34384	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+2K-H"	76.91904
"1093918"	447.06064	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2K-H"	76.91904
"151828"	409.104758	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"2M+2K"	77.926316
"590295"	594.175558	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"3M+2K"	77.926316
"1073711"	224.033958	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2K"	77.926316
"1110203"	449.075192	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2K+H"	78.933592
"1338930"	449.162807	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+DMSO+H"	79.021207
"1009283"	453.201976	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2ACN+H"	83.060376
"1527773"	454.195608	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+IsoProp+Na+H"	84.054008
"995314"	227.104626	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+2ACN+2H"	84.067652
"1592008"	455.110228	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+K+HCOOH"	84.968628
"1414873"	485.141738	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+H+CF3COOH"	115.000138
"1151238"	247.617901	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+3ACN+2H"	125.094202
"1701884"	502.168285	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+NH4+CF3COOH"	132.026685
"1635350"	507.12368	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+Na+CF3COOH"	136.98208
"1577564"	523.09762	"C17844"	"()-Demethoxyaschantin"	"C21H22O6"	"370.1416"	"M+K+CF3COOH"	152.95602
"807929"	400.1522	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M"	0
"986929"	381.13381	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-H2O-H"	-19.01839
"78479"	265.760857333333	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M-3H"	-3.021828
"516920"	399.144924	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M-3H"	-3.021828
"895335"	132.376790666667	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-3H"	-3.021828
"11108"	399.144924	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M-2H"	-2.014552
"452857"	599.221024	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M-2H"	-2.014552
"830659"	199.068824	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-2H"	-2.014552
"94141"	799.297124	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M-H"	-1.007276
"531308"	1199.449324	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M-H"	-1.007276
"909717"	399.144924	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-H"	-1.007276
"60203"	816.323671	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M-2H+NH4"	16.019271
"500734"	1216.475871	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M-2H+NH4"	16.019271
"875376"	416.171471	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-2H+NH4"	16.019271
"38173"	821.279066	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M-2H+Na"	20.974666
"475909"	1221.431266	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M-2H+Na"	20.974666
"854078"	421.126866	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-2H+Na"	20.974666
"1626894"	421.126866	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Na-2H"	20.974666
"105610"	417.133263	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M-H+Cl"	33.962126
"538610"	617.209363	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M-H+Cl"	33.962126
"939056"	217.057163	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-H+Cl"	33.962126
"277978"	835.273802	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+Cl"	34.969402
"667482"	1235.426002	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+Cl"	34.969402
"1282071"	435.121602	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Cl"	34.969402
"29371"	837.253006	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M-2H+K"	36.948606
"467472"	1237.405206	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M-2H+K"	36.948606
"838713"	437.100806	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-2H+K"	36.948606
"1560013"	437.100806	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+K-2H"	36.948606
"948990"	445.150394	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-H+HCOOH"	44.998194
"366475"	845.302601	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+HCOOH-H"	44.998201
"351451"	859.318251	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+Hac-H"	59.013851
"1501013"	459.166051	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Hac-H"	59.013851
"963450"	467.132351	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-H+NaCOOH"	66.980151
"121837"	435.121602	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+2Cl"	69.938804
"563588"	635.197702	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+2Cl"	69.938804
"1032386"	235.045502	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2Cl"	69.938804
"1256097"	479.071085	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Br"	78.918885
"1317694"	481.127072	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Cl+HCOOH"	80.974872
"1331910"	503.109029	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Cl+NaCOOH"	102.956829
"918595"	513.137786	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M-H+CF3COOH"	112.985586
"1292021"	549.114464	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Cl+CF3COOH"	148.962264
"1372374"	365.139524	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H-2H2O"	-35.012676
"1390965"	383.1495	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H-H2O"	-17.0027
"288099"	801.311676	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+H"	1.007276
"686357"	1201.463876	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+H"	1.007276
"1359424"	401.159476	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H"	1.007276
"132312"	401.159476	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+2H"	2.014552
"569683"	601.235576	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+2H"	2.014552
"1040669"	201.083376	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2H"	2.014552
"207476"	267.775409333333	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+3H"	3.021828
"646672"	401.159476	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+3H"	3.021828
"1168081"	134.391342666667	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+3H"	3.021828
"432813"	818.338223	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+NH4"	18.033823
"792716"	1218.490423	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+NH4"	18.033823
"1686860"	418.186023	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+NH4"	18.033823
"337325"	409.6727495	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+H+NH4"	19.041099
"730841"	609.7488495	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+H+NH4"	19.041099
"1489046"	209.5966495	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H+NH4"	19.041099
"404443"	823.293618	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+Na"	22.989218
"756693"	1223.445818	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+Na"	22.989218
"1605887"	423.141418	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Na"	22.989218
"319204"	412.150447	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+H+Na"	23.996494
"709073"	612.226547	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+H+Na"	23.996494
"1463258"	212.074347	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H+Na"	23.996494
"1057601"	141.718656666667	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2H+Na"	25.00377
"1260372"	433.185686	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+CH3OH+H"	33.033486
"387696"	839.267558	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+K"	38.963158
"744318"	1239.419758	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+K"	38.963158
"1541994"	439.115358	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+K"	38.963158
"305733"	420.137417	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+H+K"	39.970434
"700341"	620.213517	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+H+K"	39.970434
"1446141"	220.061317	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H+K"	39.970434
"237662"	842.338226	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+ACN+H"	42.033826
"1214380"	442.186026	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+ACN+H"	42.033826
"1199356"	221.596651	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+ACN+2H"	43.041102
"195507"	845.27556	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+2Na-H"	44.97116
"636162"	1245.42776	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+2Na-H"	44.97116
"1136750"	445.12336	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2Na-H"	44.97116
"177490"	423.141418	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+2Na"	45.978436
"615957"	623.217518	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+2Na"	45.978436
"1119096"	223.065318	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2Na"	45.978436
"1399950"	149.045970666667	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H+2Na"	46.985712
"1432186"	447.164946	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H+HCOOH"	47.012746
"222246"	428.17444	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+3H2O+2H"	56.04448
"1513951"	461.21699	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+IsoProp+H"	61.06479
"416937"	431.128388	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+Na+K"	61.952376
"779027"	631.204488	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+Na+K"	61.952376
"1674264"	231.052288	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Na+K"	61.952376
"262969"	864.320168	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+ACN+Na"	64.015768
"1236771"	464.167968	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+ACN+Na"	64.015768
"1724563"	464.191493	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+NH4+HCOOH"	64.039293
"1186636"	156.373284666667	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+3Na"	68.967654
"1660905"	469.146888	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Na+HCOOH"	68.994688
"164485"	877.22344	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+2K-H"	76.91904
"609513"	1277.37564	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+2K-H"	76.91904
"1094027"	477.07124	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2K-H"	76.91904
"154123"	439.115358	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"2M+2K"	77.926316
"593684"	639.191458	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"3M+2K"	77.926316
"1079290"	239.039258	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2K"	77.926316
"1108125"	479.085792	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2K+H"	78.933592
"1340134"	479.173407	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+DMSO+H"	79.021207
"1009761"	483.212576	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2ACN+H"	83.060376
"1528976"	484.206208	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+IsoProp+Na+H"	84.054008
"994333"	242.109926	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+2ACN+2H"	84.067652
"1595398"	485.120828	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+K+HCOOH"	84.968628
"1417778"	515.152338	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+H+CF3COOH"	115.000138
"1150254"	262.623201	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+3ACN+2H"	125.094202
"1701993"	532.178885	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+NH4+CF3COOH"	132.026685
"1636551"	537.13428	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+Na+CF3COOH"	136.98208
"1577674"	553.10822	"C17845"	"()-Aschantin"	"C22H24O7"	"400.1522"	"M+K+CF3COOH"	152.95602
"808039"	208.1099	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M"	0
"979384"	189.09151	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-H2O-H"	-19.01839
"78341"	137.732657333333	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M-3H"	-3.021828
"517762"	207.102624	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M-3H"	-3.021828
"894105"	68.3626906666667	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-3H"	-3.021828
"7938"	207.102624	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M-2H"	-2.014552
"452967"	311.157574	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M-2H"	-2.014552
"830769"	103.047674	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-2H"	-2.014552
"93400"	415.212524	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M-H"	-1.007276
"532269"	623.322424	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M-H"	-1.007276
"908124"	207.102624	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-H"	-1.007276
"54845"	432.239071	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M-2H+NH4"	16.019271
"501937"	640.348971	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M-2H+NH4"	16.019271
"875485"	224.129171	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-2H+NH4"	16.019271
"37919"	437.194466	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M-2H+Na"	20.974666
"475655"	645.304366	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M-2H+Na"	20.974666
"852365"	229.084566	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-2H+Na"	20.974666
"1623724"	229.084566	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Na-2H"	20.974666
"103533"	225.090963	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M-H+Cl"	33.962126
"538719"	329.145913	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M-H+Cl"	33.962126
"931141"	121.036013	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-H+Cl"	33.962126
"278452"	451.189202	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+Cl"	34.969402
"667592"	659.299102	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+Cl"	34.969402
"1282181"	243.079302	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Cl"	34.969402
"29490"	453.168406	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M-2H+K"	36.948606
"471178"	661.278306	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M-2H+K"	36.948606
"842103"	245.058506	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-2H+K"	36.948606
"1564497"	245.058506	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+K-2H"	36.948606
"950557"	253.108094	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-H+HCOOH"	44.998194
"365127"	461.218001	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+HCOOH-H"	44.998201
"352656"	475.233651	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+Hac-H"	59.013851
"1501487"	267.123751	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Hac-H"	59.013851
"965747"	275.090051	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-H+NaCOOH"	66.980151
"123040"	243.079302	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+2Cl"	69.938804
"563698"	347.134252	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+2Cl"	69.938804
"1035776"	139.024352	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2Cl"	69.938804
"1256086"	287.028785	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Br"	78.918885
"1318536"	289.084772	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Cl+HCOOH"	80.974872
"1334575"	311.066729	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Cl+NaCOOH"	102.956829
"924173"	321.095486	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M-H+CF3COOH"	112.985586
"1295413"	357.072164	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Cl+CF3COOH"	148.962264
"1372483"	173.097224	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H-2H2O"	-35.012676
"1388888"	191.1072	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H-H2O"	-17.0027
"286752"	417.227076	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+H"	1.007276
"683183"	625.336976	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+H"	1.007276
"1361720"	209.117176	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H"	1.007276
"138983"	209.117176	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+2H"	2.014552
"575262"	313.172126	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+2H"	2.014552
"1040415"	105.062226	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2H"	2.014552
"208315"	139.747209333333	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+3H"	3.021828
"647509"	209.117176	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+3H"	3.021828
"1168921"	70.3772426666667	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+3H"	3.021828
"430737"	434.253623	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+NH4"	18.033823
"793919"	642.363523	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+NH4"	18.033823
"1686970"	226.143723	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+NH4"	18.033823
"337435"	217.6304495	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+H+NH4"	19.041099
"730952"	321.6853995	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+H+NH4"	19.041099
"1491342"	113.5754995	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H+NH4"	19.041099
"405646"	439.209018	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+Na"	22.989218
"758994"	647.318918	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+Na"	22.989218
"1608185"	231.099118	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Na"	22.989218
"323689"	220.108147	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+H+Na"	23.996494
"712830"	324.163097	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+H+Na"	23.996494
"1469930"	116.053197	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H+Na"	23.996494
"1057711"	77.7045566666667	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2H+Na"	25.00377
"1261575"	241.143386	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+CH3OH+H"	33.033486
"387806"	455.182958	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+K"	38.963158
"744428"	663.292858	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+K"	38.963158
"1547574"	247.073058	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+K"	38.963158
"312404"	228.095117	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+H+K"	39.970434
"700452"	332.150067	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+H+K"	39.970434
"1446738"	124.040167	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H+K"	39.970434
"237770"	458.253626	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+ACN+H"	42.033826
"1213031"	250.143726	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+ACN+H"	42.033826
"1201653"	125.575501	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+ACN+2H"	43.041102
"190514"	461.19096	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+2Na-H"	44.97116
"640644"	669.30086	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+2Na-H"	44.97116
"1139778"	253.08106	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2Na-H"	44.97116
"178693"	231.099118	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+2Na"	45.978436
"617525"	335.154068	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+2Na"	45.978436
"1121029"	127.044168	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2Na"	45.978436
"1402004"	85.0318706666667	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H+2Na"	46.985712
"1432294"	255.122646	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H+HCOOH"	47.012746
"221628"	236.13214	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+3H2O+2H"	56.04448
"1515154"	269.17469	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+IsoProp+H"	61.06479
"419234"	239.086088	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+Na+K"	61.952376
"780230"	343.141038	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+Na+K"	61.952376
"1674373"	135.031138	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Na+K"	61.952376
"260892"	480.235568	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+ACN+Na"	64.015768
"1233601"	272.125668	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+ACN+Na"	64.015768
"1721393"	272.149193	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+NH4+HCOOH"	64.039293
"1184560"	92.3591846666667	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+3Na"	68.967654
"1655547"	277.104588	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Na+HCOOH"	68.994688
"163501"	493.13884	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+2K-H"	76.91904
"608529"	701.24874	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+2K-H"	76.91904
"1095230"	285.02894	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2K-H"	76.91904
"152046"	247.073058	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"2M+2K"	77.926316
"588326"	351.128008	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"3M+2K"	77.926316
"1075025"	143.018108	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2K"	77.926316
"1106049"	287.043492	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2K+H"	78.933592
"1340243"	287.131107	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+DMSO+H"	79.021207
"1007320"	291.170276	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2ACN+H"	83.060376
"1527629"	292.163908	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+IsoProp+Na+H"	84.054008
"995535"	146.088776	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+2ACN+2H"	84.067652
"1588948"	293.078528	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+K+HCOOH"	84.968628
"1415333"	323.110038	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+H+CF3COOH"	115.000138
"1148175"	166.602051	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+3ACN+2H"	125.094202
"1699917"	340.136585	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+NH4+CF3COOH"	132.026685
"1635568"	345.09198	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+Na+CF3COOH"	136.98208
"1577784"	361.06592	"C17846"	"alpha-Asaron"	"C12H16O3"	"208.1099"	"M+K+CF3COOH"	152.95602
"816844"	416.2199	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M"	0
"986056"	397.20151	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-H2O-H"	-19.01839
"76853"	276.472657333333	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M-3H"	-3.021828
"517507"	415.212624	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M-3H"	-3.021828
"893849"	137.732690666667	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-3H"	-3.021828
"10234"	415.212624	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M-2H"	-2.014552
"451984"	623.322574	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M-2H"	-2.014552
"828693"	207.102674	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-2H"	-2.014552
"93062"	831.432524	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M-H"	-1.007276
"531528"	1247.652424	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M-H"	-1.007276
"909328"	415.212624	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-H"	-1.007276
"57142"	848.459071	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M-2H+NH4"	16.019271
"501075"	1264.678971	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M-2H+NH4"	16.019271
"873409"	432.239171	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-2H+NH4"	16.019271
"36205"	853.414466	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M-2H+Na"	20.974666
"478680"	1269.634366	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M-2H+Na"	20.974666
"852840"	437.194566	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-2H+Na"	20.974666
"1623834"	437.194566	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Na-2H"	20.974666
"100363"	433.200963	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M-H+Cl"	33.962126
"537736"	641.310913	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M-H+Cl"	33.962126
"931251"	225.091013	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-H+Cl"	33.962126
"277469"	867.409202	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+Cl"	34.969402
"666609"	1283.629102	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+Cl"	34.969402
"1281198"	451.189302	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Cl"	34.969402
"30448"	869.388406	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M-2H+K"	36.948606
"467696"	1285.608306	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M-2H+K"	36.948606
"842213"	453.168506	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-2H+K"	36.948606
"1564607"	453.168506	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+K-2H"	36.948606
"950303"	461.218094	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-H+HCOOH"	44.998194
"365601"	877.438001	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+HCOOH-H"	44.998201
"354589"	891.453651	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+Hac-H"	59.013851
"1498681"	475.233751	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Hac-H"	59.013851
"963306"	483.200051	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-H+NaCOOH"	66.980151
"122057"	451.189302	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+2Cl"	69.938804
"559435"	659.299252	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+2Cl"	69.938804
"1030421"	243.079352	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2Cl"	69.938804
"1249997"	495.138785	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Br"	78.918885
"1315730"	497.194772	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Cl+HCOOH"	80.974872
"1334318"	519.176729	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Cl+NaCOOH"	102.956829
"918815"	529.205486	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M-H+CF3COOH"	112.985586
"1293336"	565.182164	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Cl+CF3COOH"	148.962264
"1369313"	381.207224	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H-2H2O"	-35.012676
"1388998"	399.2172	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H-H2O"	-17.0027
"287226"	833.447076	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+H"	1.007276
"680013"	1249.666976	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+H"	1.007276
"1358549"	417.227176	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H"	1.007276
"131436"	417.227176	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+2H"	2.014552
"569175"	625.337126	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+2H"	2.014552
"1039796"	209.117226	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2H"	2.014552
"208425"	278.487209333333	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+3H"	3.021828
"646159"	417.227176	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+3H"	3.021828
"1163919"	139.747242666667	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+3H"	3.021828
"428657"	850.473623	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+NH4"	18.033823
"791111"	1266.693523	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+NH4"	18.033823
"1685987"	434.253723	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+NH4"	18.033823
"335359"	425.7404495	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+H+NH4"	19.041099
"729967"	633.8503995	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+H+NH4"	19.041099
"1490360"	217.6304995	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H+NH4"	19.041099
"405756"	855.429018	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+Na"	22.989218
"759469"	1271.648918	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+Na"	22.989218
"1608295"	439.209118	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Na"	22.989218
"319425"	428.218147	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+H+Na"	23.996494
"716221"	636.328097	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+H+Na"	23.996494
"1472228"	220.108197	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H+Na"	23.996494
"1060008"	147.074556666667	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2H+Na"	25.00377
"1260592"	449.253386	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+CH3OH+H"	33.033486
"386823"	871.402958	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+K"	38.963158
"744538"	1287.622858	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+K"	38.963158
"1550964"	455.183058	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+K"	38.963158
"308140"	436.205117	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+H+K"	39.970434
"699469"	644.315067	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+H+K"	39.970434
"1446119"	228.095167	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H+K"	39.970434
"236789"	874.473626	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+ACN+H"	42.033826
"1211684"	458.253726	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+ACN+H"	42.033826
"1198483"	229.630501	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+ACN+2H"	43.041102
"190260"	877.41096	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+2Na-H"	44.97116
"633466"	1293.63086	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+2Na-H"	44.97116
"1137701"	461.19106	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2Na-H"	44.97116
"178074"	439.209118	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+2Na"	45.978436
"616173"	647.319068	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+2Na"	45.978436
"1117494"	231.099168	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2Na"	45.978436
"1402115"	154.401870666667	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H+2Na"	46.985712
"1431432"	463.232646	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H+HCOOH"	47.012746
"222102"	444.24214	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+3H2O+2H"	56.04448
"1514171"	477.28469	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+IsoProp+H"	61.06479
"414963"	447.196088	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+Na+K"	61.952376
"779245"	655.306038	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+Na+K"	61.952376
"1676670"	239.086138	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Na+K"	61.952376
"258815"	896.455568	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+ACN+Na"	64.015768
"1233711"	480.235668	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+ACN+Na"	64.015768
"1722598"	480.259193	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+NH4+HCOOH"	64.039293
"1184670"	161.729184666667	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+3Na"	68.967654
"1662219"	485.214588	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Na+HCOOH"	68.994688
"169079"	909.35884	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+2K-H"	76.91904
"608640"	1325.57874	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+2K-H"	76.91904
"1095340"	493.13894	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2K-H"	76.91904
"148876"	455.183058	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"2M+2K"	77.926316
"589528"	663.293008	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"3M+2K"	77.926316
"1074042"	247.073108	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2K"	77.926316
"1109439"	495.153492	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2K+H"	78.933592
"1341446"	495.241107	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+DMSO+H"	79.021207
"1013263"	499.280276	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2ACN+H"	83.060376
"1529561"	500.273908	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+IsoProp+Na+H"	84.054008
"995644"	250.143776	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+2ACN+2H"	84.067652
"1590515"	501.188528	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+K+HCOOH"	84.968628
"1415198"	531.220038	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+H+CF3COOH"	115.000138
"1149379"	270.657051	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+3ACN+2H"	125.094202
"1700027"	548.246585	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+NH4+CF3COOH"	132.026685
"1635680"	553.20198	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+Na+CF3COOH"	136.98208
"1577894"	569.17592	"C17847"	"Magnosalin"	"C24H32O6"	"416.2199"	"M+K+CF3COOH"	152.95602
"808259"	374.1729	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M"	0
"985072"	355.15451	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-H2O-H"	-19.01839
"75504"	248.441324	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M-3H"	-3.021828
"513971"	373.165624	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M-3H"	-3.021828
"893595"	123.717024	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-3H"	-3.021828
"7064"	373.165624	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M-2H"	-2.014552
"451001"	560.252074	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M-2H"	-2.014552
"827710"	186.079174	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-2H"	-2.014552
"90984"	747.338524	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M-H"	-1.007276
"531639"	1121.511424	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M-H"	-1.007276
"910047"	373.165624	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-H"	-1.007276
"59438"	764.365071	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M-2H+NH4"	16.019271
"498998"	1138.537971	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M-2H+NH4"	16.019271
"873519"	390.192171	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-2H+NH4"	16.019271
"35222"	769.320466	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M-2H+Na"	20.974666
"475874"	1143.493366	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M-2H+Na"	20.974666
"851129"	395.147566	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-2H+Na"	20.974666
"1623944"	395.147566	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Na-2H"	20.974666
"100473"	391.153963	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M-H+Cl"	33.962126
"537846"	578.240413	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M-H+Cl"	33.962126
"930268"	204.067513	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-H+Cl"	33.962126
"271009"	783.315202	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+Cl"	34.969402
"665624"	1157.488102	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+Cl"	34.969402
"1281308"	409.142302	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Cl"	34.969402
"29341"	785.294406	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M-2H+K"	36.948606
"468899"	1159.467306	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M-2H+K"	36.948606
"845969"	411.121506	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-2H+K"	36.948606
"1564717"	411.121506	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+K-2H"	36.948606
"948226"	419.171094	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-H+HCOOH"	44.998194
"364252"	793.344001	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+HCOOH-H"	44.998201
"349594"	807.359651	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+Hac-H"	59.013851
"1499156"	433.186751	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Hac-H"	59.013851
"964509"	441.153051	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-H+NaCOOH"	66.980151
"122167"	409.142302	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+2Cl"	69.938804
"559545"	596.228752	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+2Cl"	69.938804
"1030531"	222.055852	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2Cl"	69.938804
"1250107"	453.091785	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Br"	78.918885
"1315840"	455.147772	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Cl+HCOOH"	80.974872
"1332241"	477.129729	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Cl+NaCOOH"	102.956829
"914551"	487.158486	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M-H+CF3COOH"	112.985586
"1293446"	523.135164	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Cl+CF3COOH"	148.962264
"1367232"	339.160224	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H-2H2O"	-35.012676
"1389108"	357.1702	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H-H2O"	-17.0027
"287336"	749.353076	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+H"	1.007276
"680123"	1123.525976	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+H"	1.007276
"1356472"	375.180176	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H"	1.007276
"131546"	375.180176	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+2H"	2.014552
"567823"	562.266626	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+2H"	2.014552
"1040998"	188.093726	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2H"	2.014552
"208899"	250.455876	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+3H"	3.021828
"645537"	375.180176	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+3H"	3.021828
"1163785"	125.731576	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+3H"	3.021828
"425479"	766.379623	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+NH4"	18.033823
"789035"	1140.552523	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+NH4"	18.033823
"1688282"	392.206723	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+NH4"	18.033823
"335464"	383.6934495	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+H+NH4"	19.041099
"727883"	570.7798995	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+H+NH4"	19.041099
"1481718"	196.6069995	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H+NH4"	19.041099
"404773"	771.335018	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+Na"	22.989218
"761401"	1145.507918	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+Na"	22.989218
"1608405"	397.162118	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Na"	22.989218
"322816"	386.171147	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+H+Na"	23.996494
"716331"	573.257597	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+H+Na"	23.996494
"1472338"	199.084697	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H+Na"	23.996494
"1061211"	133.05889	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2H+Na"	25.00377
"1260702"	407.206386	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+CH3OH+H"	33.033486
"382558"	787.308958	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+K"	38.963158
"744648"	1161.481858	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+K"	38.963158
"1552168"	413.136058	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+K"	38.963158
"309343"	394.158117	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+H+K"	39.970434
"701765"	581.244567	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+H+K"	39.970434
"1445743"	207.071667	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H+K"	39.970434
"237628"	790.379626	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+ACN+H"	42.033826
"1212523"	416.206726	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+ACN+H"	42.033826
"1198592"	208.607001	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+ACN+2H"	43.041102
"190005"	793.31696	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+2Na-H"	44.97116
"634305"	1167.48986	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+2Na-H"	44.97116
"1136719"	419.14406	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2Na-H"	44.97116
"176359"	397.162118	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+2Na"	45.978436
"615191"	584.248568	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+2Na"	45.978436
"1118333"	210.075668	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2Na"	45.978436
"1400038"	140.386204	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H+2Na"	46.985712
"1431058"	421.185646	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H+HCOOH"	47.012746
"222942"	402.19514	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+3H2O+2H"	56.04448
"1512094"	435.23769	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+IsoProp+H"	61.06479
"412886"	405.149088	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+Na+K"	61.952376
"782635"	592.235538	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+Na+K"	61.952376
"1678966"	218.062638	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Na+K"	61.952376
"264026"	812.361568	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+ACN+Na"	64.015768
"1237100"	438.188668	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+ACN+Na"	64.015768
"1723801"	438.212193	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+NH4+HCOOH"	64.039293
"1189152"	147.713518	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+3Na"	68.967654
"1661234"	443.167588	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Na+HCOOH"	68.994688
"165909"	825.26484	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+2K-H"	76.91904
"606563"	1199.43774	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+2K-H"	76.91904
"1096544"	451.09194	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2K-H"	76.91904
"148986"	413.136058	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"2M+2K"	77.926316
"586361"	600.222508	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"3M+2K"	77.926316
"1075247"	226.049608	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2K"	77.926316
"1109549"	453.106492	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2K+H"	78.933592
"1341557"	453.194107	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+DMSO+H"	79.021207
"1010093"	457.233276	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2ACN+H"	83.060376
"1531493"	458.226908	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+IsoProp+Na+H"	84.054008
"995755"	229.120276	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+2ACN+2H"	84.067652
"1589531"	459.141528	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+K+HCOOH"	84.968628
"1415192"	489.173038	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+H+CF3COOH"	115.000138
"1150584"	249.633551	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+3ACN+2H"	125.094202
"1699044"	506.199585	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+NH4+CF3COOH"	132.026685
"1634451"	511.15498	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+Na+CF3COOH"	136.98208
"1578004"	527.12892	"C17848"	"Biondinin A"	"C21H26O6"	"374.1729"	"M+K+CF3COOH"	152.95602
"808369"	404.1835	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M"	0
"980809"	385.16511	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-H2O-H"	-19.01839
"75614"	268.448390666667	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M-3H"	-3.021828
"515175"	403.176224	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M-3H"	-3.021828
"891883"	133.720557333333	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-3H"	-3.021828
"8268"	403.176224	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M-2H"	-2.014552
"450018"	605.267974	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M-2H"	-2.014552
"827820"	201.084474	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-2H"	-2.014552
"91094"	807.359724	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M-H"	-1.007276
"533209"	1211.543224	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M-H"	-1.007276
"909915"	403.176224	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-H"	-1.007276
"59548"	824.386271	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M-2H+NH4"	16.019271
"494734"	1228.569771	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M-2H+NH4"	16.019271
"869982"	420.202771	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-2H+NH4"	16.019271
"33872"	829.341666	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M-2H+Na"	20.974666
"474524"	1233.525166	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M-2H+Na"	20.974666
"852332"	425.158166	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-2H+Na"	20.974666
"1624054"	425.158166	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Na-2H"	20.974666
"102770"	421.164563	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M-H+Cl"	33.962126
"540143"	623.256313	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M-H+Cl"	33.962126
"932565"	219.072813	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-H+Cl"	33.962126
"268933"	843.336402	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+Cl"	34.969402
"665734"	1247.519902	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+Cl"	34.969402
"1280325"	439.152902	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Cl"	34.969402
"27266"	845.315606	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M-2H+K"	36.948606
"466824"	1249.499106	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M-2H+K"	36.948606
"840248"	441.132106	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-2H+K"	36.948606
"1560454"	441.132106	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+K-2H"	36.948606
"945054"	449.181694	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-H+HCOOH"	44.998194
"362661"	853.365201	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+HCOOH-H"	44.998201
"346665"	867.380851	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+Hac-H"	59.013851
"1494890"	463.197351	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Hac-H"	59.013851
"961703"	471.163651	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-H+NaCOOH"	66.980151
"115719"	439.152902	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+2Cl"	69.938804
"559655"	641.244652	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+2Cl"	69.938804
"1029548"	237.061152	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2Cl"	69.938804
"1245846"	483.102385	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Br"	78.918885
"1312670"	485.158372	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Cl+HCOOH"	80.974872
"1326885"	507.140329	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Cl+NaCOOH"	102.956829
"914661"	517.169086	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M-H+CF3COOH"	112.985586
"1289301"	553.145764	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Cl+CF3COOH"	148.962264
"1369535"	369.170824	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H-2H2O"	-35.012676
"1385937"	387.1808	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H-H2O"	-17.0027
"284166"	809.374276	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+H"	1.007276
"680233"	1213.557776	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+H"	1.007276
"1353666"	405.190776	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H"	1.007276
"131656"	405.190776	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+2H"	2.014552
"567567"	607.282526	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+2H"	2.014552
"1039286"	203.099026	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2H"	2.014552
"205362"	270.462942666667	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+3H"	3.021828
"644919"	405.190776	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+3H"	3.021828
"1163040"	135.735109333333	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+3H"	3.021828
"425101"	826.400823	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+NH4"	18.033823
"787688"	1230.584323	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+NH4"	18.033823
"1684019"	422.217323	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+NH4"	18.033823
"335574"	413.7040495	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+H+NH4"	19.041099
"725805"	615.7957995	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+H+NH4"	19.041099
"1485107"	211.6122995	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H+NH4"	19.041099
"404519"	831.356218	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+Na"	22.989218
"765885"	1235.539718	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+Na"	22.989218
"1611796"	427.172718	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Na"	22.989218
"322926"	416.181747	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+H+Na"	23.996494
"715348"	618.273497	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+H+Na"	23.996494
"1471354"	214.089997	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H+Na"	23.996494
"1059134"	143.062423333333	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2H+Na"	25.00377
"1265188"	437.216986	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+CH3OH+H"	33.033486
"384856"	847.330158	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+K"	38.963158
"744758"	1251.513658	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+K"	38.963158
"1551185"	443.146658	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+K"	38.963158
"308360"	424.168717	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+H+K"	39.970434
"698596"	626.260467	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+H+K"	39.970434
"1448039"	222.076967	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H+K"	39.970434
"238830"	850.400826	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+ACN+H"	42.033826
"1212997"	446.217326	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+ACN+H"	42.033826
"1198336"	223.612301	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+ACN+2H"	43.041102
"192668"	853.33816	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+2Na-H"	44.97116
"634416"	1257.52166	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+2Na-H"	44.97116
"1135370"	449.15466	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2Na-H"	44.97116
"173918"	427.172718	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+2Na"	45.978436
"613843"	629.264468	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+2Na"	45.978436
"1117713"	225.080968	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2Na"	45.978436
"1399783"	150.389737333333	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H+2Na"	46.985712
"1431170"	451.196246	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H+HCOOH"	47.012746
"223053"	432.20574	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+3H2O+2H"	56.04448
"1511113"	465.24829	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+IsoProp+H"	61.06479
"411903"	435.159688	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+Na+K"	61.952376
"776179"	637.251438	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+Na+K"	61.952376
"1671418"	233.067938	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Na+K"	61.952376
"260125"	872.382768	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+ACN+Na"	64.015768
"1232835"	468.199268	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+ACN+Na"	64.015768
"1721722"	468.222793	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+NH4+HCOOH"	64.039293
"1187075"	157.717051333333	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+3Na"	68.967654
"1659157"	473.178188	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Na+HCOOH"	68.994688
"169300"	885.28604	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+2K-H"	76.91904
"609954"	1289.46954	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+2K-H"	76.91904
"1093373"	481.10254	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2K-H"	76.91904
"148002"	443.146658	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"2M+2K"	77.926316
"586471"	645.238408	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"3M+2K"	77.926316
"1073170"	241.054908	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2K"	77.926316
"1107472"	483.117092	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2K+H"	78.933592
"1341667"	483.204707	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+DMSO+H"	79.021207
"1013478"	487.243876	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2ACN+H"	83.060376
"1530510"	488.237508	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+IsoProp+Na+H"	84.054008
"998050"	244.125576	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+2ACN+2H"	84.067652
"1592557"	489.152128	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+K+HCOOH"	84.968628
"1416029"	519.183638	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+H+CF3COOH"	115.000138
"1147414"	264.638851	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+3ACN+2H"	125.094202
"1699154"	536.210185	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+NH4+CF3COOH"	132.026685
"1634926"	541.16558	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+Na+CF3COOH"	136.98208
"1578114"	557.13952	"C17849"	"Biondinin B"	"C22H28O7"	"404.1835"	"M+K+CF3COOH"	152.95602
"808479"	300.1725	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M"	0
"982012"	281.15411	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"75724"	199.107724	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"513098"	299.165224	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"889806"	99.050224	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"8378"	299.165224	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"443566"	449.251474	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"827930"	149.078974	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"92176"	599.337724	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"533079"	899.510224	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"909658"	299.165224	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"59658"	616.364271	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"494844"	916.536771	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"869728"	316.191771	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"33982"	621.319666	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"474270"	921.492166	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"852805"	321.147166	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1625257"	321.147166	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"101786"	317.153563	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"541346"	467.239813	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"934861"	167.067313	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"268677"	635.314402	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"665844"	935.486902	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1279341"	335.141902	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"27376"	637.293606	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"468027"	937.466106	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"840358"	337.121106	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1563843"	337.121106	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"944071"	345.170694	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"364472"	645.343201	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"347626"	659.358851	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1494270"	359.186351	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"960355"	367.152651	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"118015"	335.141902	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"561951"	485.228152	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1029657"	185.055652	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1247048"	379.091385	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1309498"	381.147372	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1324806"	403.129329	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"913678"	413.158086	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1289898"	449.134764	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1370738"	265.159824	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1388233"	283.1698	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"285734"	601.352276	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"680343"	901.524776	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1355598"	301.179776	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"132859"	301.179776	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"568768"	451.266026	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1040853"	151.093526	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"206563"	201.122276	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"649036"	301.179776	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1164612"	101.064776	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"427881"	618.378823	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"788516"	918.551323	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1684484"	318.206323	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"333124"	309.6930495	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"725908"	459.7792995	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1489589"	159.6067995	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"405722"	623.334218	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"768785"	923.506718	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1610813"	323.161718	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"321942"	312.170747	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"716551"	462.256997	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1472559"	162.084497	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1058150"	108.39209	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1265298"	333.205986	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"384966"	639.308158	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"744868"	939.480658	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1549110"	339.135658	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"309566"	320.157717	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"700894"	470.243967	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1449243"	170.071467	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"237845"	642.378826	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1212011"	342.206326	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1198812"	171.606801	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"191684"	645.31616	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"633067"	945.48866	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1135113"	345.14366	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"174390"	323.161718	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"615043"	473.247968	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1117823"	173.075468	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1400011"	115.719404	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1432005"	347.185246	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"222426"	328.19474	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1510128"	361.23729	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"412013"	331.148688	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"773006"	481.234938	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1671528"	181.062438	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"254036"	664.360768	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1228573"	364.188268	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1718185"	364.211793	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1184268"	123.046718	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1654889"	369.167188	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"168317"	677.26404	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"607877"	977.43654	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1094577"	377.09154	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"148113"	339.135658	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"586581"	489.221908	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1074374"	189.049408	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1107582"	379.106092	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1341777"	379.193707	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1012495"	383.232876	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1528434"	384.226508	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"994880"	192.120076	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1591574"	385.141128	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1416139"	415.172638	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1148616"	212.633351	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1700357"	432.199185	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1634915"	437.15458	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1578224"	453.12852	"C17850"	"Biondinin C"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"808589"	300.1725	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M"	0
"982122"	281.15411	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"76929"	199.107724	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"517217"	299.165224	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"894289"	99.050224	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"9581"	299.165224	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"443676"	449.251474	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"829133"	149.078974	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"92285"	599.337724	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"534188"	899.510224	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"907581"	299.165224	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"59768"	616.364271	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"500422"	916.536771	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"872756"	316.191771	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"33728"	621.319666	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"473652"	921.492166	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"852187"	321.147166	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1625367"	321.147166	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"105176"	317.153563	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"539269"	467.239813	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"931691"	167.067313	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"267815"	635.314402	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"665954"	935.486902	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1279451"	335.141902	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"28215"	637.293606	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"469229"	937.466106	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"840468"	337.121106	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1563953"	337.121106	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"945274"	345.170694	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"364947"	645.343201	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"348100"	659.358851	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1494380"	359.186351	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"961558"	367.152651	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"118125"	335.141902	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"560968"	485.228152	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1028674"	185.055652	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1246429"	379.091385	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1311795"	381.147372	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1327104"	403.129329	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"913423"	413.158086	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1289766"	449.134764	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1370848"	265.159824	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1388344"	283.1698	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"285478"	601.352276	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"680453"	901.524776	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1354979"	301.179776	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"129689"	301.179776	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"567784"	451.266026	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1037084"	151.093526	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"207035"	201.122276	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"648417"	301.179776	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1166542"	101.064776	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"427262"	618.378823	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"787162"	918.551323	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1683130"	318.206323	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"333962"	309.6930495	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"723831"	459.7792995	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1485327"	159.6067995	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"405832"	623.334218	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"768652"	923.506718	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1615296"	323.161718	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"327158"	312.170747	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"718847"	462.256997	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1471575"	162.084497	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1063728"	108.39209	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1272256"	333.205986	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"391638"	639.308158	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"753607"	939.480658	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1553596"	339.135658	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"312956"	320.157717	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"706472"	470.243967	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1457012"	170.071467	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"243425"	642.378826	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1215040"	342.206326	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1201110"	171.606801	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"192889"	645.31616	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"637916"	945.48866	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1141422"	345.14366	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"176327"	323.161718	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"614670"	473.247968	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1119757"	173.075468	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1400366"	115.719404	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1432117"	347.185246	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"221444"	328.19474	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1509509"	361.23729	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"415403"	331.148688	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"772023"	481.234938	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1670546"	181.062438	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"253053"	664.360768	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1227954"	364.188268	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1716473"	364.211793	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1182555"	123.046718	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1653905"	369.167188	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"162959"	677.26404	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"610174"	977.43654	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1093594"	377.09154	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"148223"	339.135658	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"588878"	489.221908	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1073389"	189.049408	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1107692"	379.106092	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1340794"	379.193707	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1010419"	383.232876	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1528180"	384.226508	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"997177"	192.120076	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1591681"	385.141128	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1415401"	415.172638	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1148360"	212.633351	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1701561"	432.199185	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1634417"	437.15458	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1578334"	453.12852	"C17851"	"Biondinin D"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"808699"	418.1992	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M"	0
"982232"	399.18081	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-H2O-H"	-19.01839
"75943"	277.792190666667	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M-3H"	-3.021828
"515504"	417.191924	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M-3H"	-3.021828
"891118"	138.392457333333	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-3H"	-3.021828
"4225"	417.191924	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M-2H"	-2.014552
"440991"	626.291524	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M-2H"	-2.014552
"829243"	208.092324	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-2H"	-2.014552
"92516"	835.391124	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M-H"	-1.007276
"531956"	1253.590324	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M-H"	-1.007276
"908784"	417.191924	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-H"	-1.007276
"57691"	852.417671	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M-2H+NH4"	16.019271
"493972"	1270.616871	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M-2H+NH4"	16.019271
"871772"	434.218471	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-2H+NH4"	16.019271
"32741"	857.373066	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M-2H+Na"	20.974666
"472661"	1275.572266	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M-2H+Na"	20.974666
"849745"	439.173866	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-2H+Na"	20.974666
"1628757"	439.173866	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Na-2H"	20.974666
"104193"	435.180263	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M-H+Cl"	33.962126
"539381"	644.279863	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M-H+Cl"	33.962126
"932896"	226.080663	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-H+Cl"	33.962126
"269263"	871.367802	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+Cl"	34.969402
"663876"	1289.567002	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+Cl"	34.969402
"1279560"	453.168602	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Cl"	34.969402
"31122"	873.347006	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M-2H+K"	36.948606
"470069"	1291.546206	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M-2H+K"	36.948606
"846046"	455.147806	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-2H+K"	36.948606
"1565159"	455.147806	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+K-2H"	36.948606
"944292"	463.197394	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-H+HCOOH"	44.998194
"362866"	881.396601	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+HCOOH-H"	44.998201
"345980"	895.412251	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+Hac-H"	59.013851
"1492835"	477.213051	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Hac-H"	59.013851
"960210"	485.179351	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-H+NaCOOH"	66.980151
"116048"	453.168602	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+2Cl"	69.938804
"561078"	662.268202	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+2Cl"	69.938804
"1032064"	244.069002	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2Cl"	69.938804
"1249455"	497.118085	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Br"	78.918885
"1315186"	499.174072	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Cl+HCOOH"	80.974872
"1329401"	521.156029	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Cl+NaCOOH"	102.956829
"916449"	531.184786	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M-H+CF3COOH"	112.985586
"1290241"	567.161464	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Cl+CF3COOH"	148.962264
"1374239"	383.186524	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H-2H2O"	-35.012676
"1389547"	401.1965	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H-H2O"	-17.0027
"285225"	837.405676	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+H"	1.007276
"680563"	1255.604876	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+H"	1.007276
"1352536"	419.206476	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H"	1.007276
"125850"	419.206476	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+2H"	2.014552
"567531"	628.306076	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+2H"	2.014552
"1037588"	210.106876	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2H"	2.014552
"206416"	279.806742666667	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+3H"	3.021828
"648528"	419.206476	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+3H"	3.021828
"1166288"	140.407009333333	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+3H"	3.021828
"427736"	854.432223	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+NH4"	18.033823
"789825"	1272.631423	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+NH4"	18.033823
"1682877"	436.233023	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+NH4"	18.033823
"332249"	427.7197495	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+H+NH4"	19.041099
"725400"	636.8193495	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+H+NH4"	19.041099
"1484342"	218.6201495	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H+NH4"	19.041099
"401930"	859.387618	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+Na"	22.989218
"762924"	1277.586818	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+Na"	22.989218
"1615772"	441.188418	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Na"	22.989218
"328726"	430.197447	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+H+Na"	23.996494
"720054"	639.297047	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+H+Na"	23.996494
"1473872"	221.097847	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H+Na"	23.996494
"1066025"	147.734323333333	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2H+Na"	25.00377
"1272662"	451.232686	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+CH3OH+H"	33.033486
"391994"	875.361558	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+K"	38.963158
"752746"	1293.560758	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+K"	38.963158
"1555165"	457.162358	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+K"	38.963158
"312711"	438.184417	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+H+K"	39.970434
"706507"	647.284017	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+H+K"	39.970434
"1457123"	229.084817	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H+K"	39.970434
"241347"	878.432226	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+ACN+H"	42.033826
"1214058"	460.233026	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+ACN+H"	42.033826
"1200127"	230.620151	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+ACN+2H"	43.041102
"194093"	881.36956	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+2Na-H"	44.97116
"635840"	1299.56876	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+2Na-H"	44.97116
"1136066"	463.17036	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2Na-H"	44.97116
"174128"	441.188418	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+2Na"	45.978436
"613321"	650.288018	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+2Na"	45.978436
"1117071"	232.088818	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2Na"	45.978436
"1399260"	155.061637333333	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H+2Na"	46.985712
"1430767"	465.211946	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H+HCOOH"	47.012746
"220135"	446.22144	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+3H2O+2H"	56.04448
"1508769"	479.26399	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+IsoProp+H"	61.06479
"413326"	449.175388	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+Na+K"	61.952376
"771404"	658.274988	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+Na+K"	61.952376
"1668468"	240.075788	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Na+K"	61.952376
"251699"	900.414168	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+ACN+Na"	64.015768
"1231705"	482.214968	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+ACN+Na"	64.015768
"1713540"	482.238493	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+NH4+HCOOH"	64.039293
"1180113"	162.388951333333	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+3Na"	68.967654
"1654745"	487.193888	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Na+HCOOH"	68.994688
"163430"	913.31744	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+2K-H"	76.91904
"601535"	1331.51664	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+2K-H"	76.91904
"1091516"	495.11824	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2K-H"	76.91904
"151613"	457.162358	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"2M+2K"	77.926316
"588988"	666.261958	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"3M+2K"	77.926316
"1080061"	248.062758	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2K"	77.926316
"1104523"	497.132792	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2K+H"	78.933592
"1343091"	497.220407	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+DMSO+H"	79.021207
"1014903"	501.259576	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2ACN+H"	83.060376
"1530841"	502.253208	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+IsoProp+Na+H"	84.054008
"996194"	251.133426	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+2ACN+2H"	84.067652
"1591792"	503.167828	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+K+HCOOH"	84.968628
"1417089"	533.199338	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+H+CF3COOH"	115.000138
"1148835"	271.646701	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+3ACN+2H"	125.094202
"1698387"	550.225885	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+NH4+CF3COOH"	132.026685
"1635134"	555.18128	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+Na+CF3COOH"	136.98208
"1578444"	571.15522	"C17852"	"Biondinin E"	"C23H30O7"	"418.1992"	"M+K+CF3COOH"	152.95602
"808809"	192.115	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M"	0
"982342"	173.09661	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-H2O-H"	-19.01839
"76053"	127.069390666667	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M-3H"	-3.021828
"513426"	191.107724	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M-3H"	-3.021828
"890135"	63.0310573333333	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-3H"	-3.021828
"4335"	191.107724	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M-2H"	-2.014552
"441709"	287.165224	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M-2H"	-2.014552
"827167"	95.050224	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-2H"	-2.014552
"92627"	383.222724	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M-H"	-1.007276
"533729"	575.337724	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M-H"	-1.007276
"909867"	191.107724	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-H"	-1.007276
"56708"	400.249271	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M-2H+NH4"	16.019271
"492988"	592.364271	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M-2H+NH4"	16.019271
"869696"	208.134271	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-2H+NH4"	16.019271
"34312"	405.204666	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M-2H+Na"	20.974666
"473504"	597.319666	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M-2H+Na"	20.974666
"852407"	213.089666	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-2H+Na"	20.974666
"1627774"	213.089666	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Na-2H"	20.974666
"95311"	209.096063	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M-H+Cl"	33.962126
"547146"	305.153563	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M-H+Cl"	33.962126
"938473"	113.038563	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-H+Cl"	33.962126
"268280"	419.199402	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+Cl"	34.969402
"663987"	611.314402	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+Cl"	34.969402
"1275298"	227.084402	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Cl"	34.969402
"31072"	421.178606	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M-2H+K"	36.948606
"469816"	613.293606	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M-2H+K"	36.948606
"843968"	229.063606	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-2H+K"	36.948606
"1559799"	229.063606	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+K-2H"	36.948606
"945128"	237.113194	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-H+HCOOH"	44.998194
"364069"	429.228201	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+HCOOH-H"	44.998201
"346861"	443.243851	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+Hac-H"	59.013851
"1493139"	251.128851	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Hac-H"	59.013851
"959098"	259.095151	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-H+NaCOOH"	66.980151
"118344"	227.084402	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+2Cl"	69.938804
"554623"	323.141902	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+2Cl"	69.938804
"1033268"	131.026902	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2Cl"	69.938804
"1251752"	271.033885	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Br"	78.918885
"1315296"	273.089872	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Cl+HCOOH"	80.974872
"1329511"	295.071829	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Cl+NaCOOH"	102.956829
"916195"	305.100586	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M-H+CF3COOH"	112.985586
"1290351"	341.077264	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Cl+CF3COOH"	148.962264
"1372163"	157.102324	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H-2H2O"	-35.012676
"1388563"	175.1123	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H-H2O"	-17.0027
"285335"	385.237276	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+H"	1.007276
"680673"	577.352276	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+H"	1.007276
"1353011"	193.122276	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H"	1.007276
"126747"	193.122276	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+2H"	2.014552
"568370"	289.179776	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+2H"	2.014552
"1038994"	97.064776	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2H"	2.014552
"208349"	129.083942666667	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+3H"	3.021828
"648638"	193.122276	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+3H"	3.021828
"1165671"	65.0456093333333	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+3H"	3.021828
"427481"	402.263823	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+NH4"	18.033823
"787385"	594.378823	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+NH4"	18.033823
"1682622"	210.148823	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+NH4"	18.033823
"333452"	201.6355495	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+H+NH4"	19.041099
"724781"	297.6930495	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+H+NH4"	19.041099
"1482266"	105.5780495	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H+NH4"	19.041099
"397667"	407.219218	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+Na"	22.989218
"758661"	599.334218	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+Na"	22.989218
"1612967"	215.104218	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Na"	22.989218
"327742"	204.113247	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+H+Na"	23.996494
"720528"	300.170747	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+H+Na"	23.996494
"1474347"	108.055747	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H+Na"	23.996494
"1068401"	72.3729233333333	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2H+Na"	25.00377
"1269637"	225.148486	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+CH3OH+H"	33.033486
"391493"	423.193158	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+K"	38.963158
"752855"	615.308158	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+K"	38.963158
"1553816"	231.078158	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+K"	38.963158
"313425"	212.100217	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+H+K"	39.970434
"705965"	308.157717	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+H+K"	39.970434
"1457232"	116.042717	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H+K"	39.970434
"239271"	426.263826	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+ACN+H"	42.033826
"1218542"	234.148826	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+ACN+H"	42.033826
"1200236"	117.578051	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+ACN+2H"	43.041102
"195297"	429.20116	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+2Na-H"	44.97116
"635950"	621.31616	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+2Na-H"	44.97116
"1137269"	237.08616	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2Na-H"	44.97116
"174117"	215.104218	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+2Na"	45.978436
"614528"	311.161718	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+2Na"	45.978436
"1119250"	119.046718	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2Na"	45.978436
"1398926"	79.7002373333333	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H+2Na"	46.985712
"1431611"	239.127746	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H+HCOOH"	47.012746
"220492"	220.13724	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+3H2O+2H"	56.04448
"1509123"	253.17979	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+IsoProp+H"	61.06479
"413436"	223.091188	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+Na+K"	61.952376
"771514"	319.148688	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+Na+K"	61.952376
"1669306"	127.033688	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Na+K"	61.952376
"252542"	448.245768	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+ACN+Na"	64.015768
"1231087"	256.130768	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+ACN+Na"	64.015768
"1713286"	256.154293	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+NH4+HCOOH"	64.039293
"1181317"	87.0275513333333	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+3Na"	68.967654
"1654127"	261.109688	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Na+HCOOH"	68.994688
"163179"	461.14904	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+2K-H"	76.91904
"607113"	653.26404	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+2K-H"	76.91904
"1093813"	269.03404	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2K-H"	76.91904
"153910"	231.078158	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"2M+2K"	77.926316
"591284"	327.135658	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"3M+2K"	77.926316
"1071424"	135.020658	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2K"	77.926316
"1103539"	271.048592	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2K+H"	78.933592
"1342109"	271.136207	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+DMSO+H"	79.021207
"1013920"	275.175376	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2ACN+H"	83.060376
"1526575"	276.169008	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+IsoProp+Na+H"	84.054008
"998492"	138.091326	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+2ACN+2H"	84.067652
"1590809"	277.083628	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+K+HCOOH"	84.968628
"1416105"	307.115138	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+H+CF3COOH"	115.000138
"1148580"	158.604601	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+3ACN+2H"	125.094202
"1698497"	324.141685	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+NH4+CF3COOH"	132.026685
"1634391"	329.09708	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+Na+CF3COOH"	136.98208
"1578554"	345.07102	"C17853"	"Senkyunolide"	"C12H16O2"	"192.115"	"M+K+CF3COOH"	152.95602
"808919"	190.0994	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M"	0
"984639"	171.08101	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-H2O-H"	-19.01839
"76163"	125.725657333333	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M-3H"	-3.021828
"513536"	189.092124	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M-3H"	-3.021828
"892432"	62.3591906666667	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-3H"	-3.021828
"11006"	189.092124	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M-2H"	-2.014552
"444006"	284.141824	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M-2H"	-2.014552
"829463"	94.042424	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-2H"	-2.014552
"86175"	379.191524	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M-H"	-1.007276
"531697"	569.290924	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M-H"	-1.007276
"909006"	189.092124	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-H"	-1.007276
"56818"	396.218071	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M-2H+NH4"	16.019271
"493098"	586.317471	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M-2H+NH4"	16.019271
"870899"	206.118671	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-2H+NH4"	16.019271
"35150"	401.173466	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M-2H+Na"	20.974666
"473006"	591.272866	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M-2H+Na"	20.974666
"851789"	211.074066	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-2H+Na"	20.974666
"1627884"	211.074066	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Na-2H"	20.974666
"94814"	207.080463	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M-H+Cl"	33.962126
"547256"	302.130163	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M-H+Cl"	33.962126
"935303"	112.030763	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-H+Cl"	33.962126
"267660"	415.168202	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+Cl"	34.969402
"662273"	605.267602	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+Cl"	34.969402
"1275407"	225.068802	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Cl"	34.969402
"25995"	417.147406	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M-2H+K"	36.948606
"469197"	607.246806	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M-2H+K"	36.948606
"840798"	227.048006	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-2H+K"	36.948606
"1559909"	227.048006	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+K-2H"	36.948606
"945602"	235.097594	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-H+HCOOH"	44.998194
"363086"	425.197001	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+HCOOH-H"	44.998201
"346118"	439.212651	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+Hac-H"	59.013851
"1493611"	249.113251	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Hac-H"	59.013851
"959572"	257.079551	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-H+NaCOOH"	66.980151
"117360"	225.068802	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+2Cl"	69.938804
"554733"	320.118502	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+2Cl"	69.938804
"1034471"	130.019102	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2Cl"	69.938804
"1250768"	269.018285	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Br"	78.918885
"1315406"	271.074272	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Cl+HCOOH"	80.974872
"1328527"	293.056229	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Cl+NaCOOH"	102.956829
"914118"	303.084986	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M-H+CF3COOH"	112.985586
"1288837"	339.061664	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Cl+CF3COOH"	148.962264
"1371177"	155.086724	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H-2H2O"	-35.012676
"1387579"	173.0967	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H-H2O"	-17.0027
"285443"	381.206076	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+H"	1.007276
"680783"	571.305476	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+H"	1.007276
"1354215"	191.106676	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H"	1.007276
"126494"	191.106676	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+2H"	2.014552
"566780"	286.156376	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+2H"	2.014552
"1037766"	96.056976	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2H"	2.014552
"206272"	127.740209333333	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+3H"	3.021828
"647654"	191.106676	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+3H"	3.021828
"1164444"	64.3737426666667	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+3H"	3.021828
"424430"	398.232623	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+NH4"	18.033823
"788954"	588.332023	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+NH4"	18.033823
"1682734"	208.133223	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+NH4"	18.033823
"332834"	199.6199495	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+H+NH4"	19.041099
"723553"	294.6696495	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+H+NH4"	19.041099
"1484562"	104.5702495	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H+NH4"	19.041099
"395590"	403.188018	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+Na"	22.989218
"756584"	593.287418	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+Na"	22.989218
"1612340"	213.088618	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Na"	22.989218
"326393"	202.097647	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+H+Na"	23.996494
"719909"	297.147347	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+H+Na"	23.996494
"1472635"	107.047947	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H+Na"	23.996494
"1067709"	71.7010566666667	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2H+Na"	25.00377
"1270477"	223.132886	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+CH3OH+H"	33.033486
"390511"	419.161958	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+K"	38.963158
"752601"	609.261358	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+K"	38.963158
"1553198"	229.062558	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+K"	38.963158
"313655"	210.084617	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+H+K"	39.970434
"705711"	305.134317	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+H+K"	39.970434
"1457344"	115.034917	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H+K"	39.970434
"238290"	422.232626	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+ACN+H"	42.033826
"1217559"	232.133226	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+ACN+H"	42.033826
"1203627"	116.570251	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+ACN+2H"	43.041102
"199781"	425.16996	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+2Na-H"	44.97116
"639341"	615.26936	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+2Na-H"	44.97116
"1141753"	235.07056	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2Na-H"	44.97116
"177389"	213.088618	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+2Na"	45.978436
"615855"	308.138318	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+2Na"	45.978436
"1118266"	118.038918	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2Na"	45.978436
"1399605"	79.0283706666667	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H+2Na"	46.985712
"1431721"	237.112146	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H+HCOOH"	47.012746
"220561"	218.12164	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+3H2O+2H"	56.04448
"1510202"	251.16419	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+IsoProp+H"	61.06479
"413546"	221.075588	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+Na+K"	61.952376
"771260"	316.125288	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+Na+K"	61.952376
"1669052"	126.025888	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Na+K"	61.952376
"252290"	444.214568	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+ACN+Na"	64.015768
"1230104"	254.115168	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+ACN+Na"	64.015768
"1716073"	254.138693	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+NH4+HCOOH"	64.039293
"1184343"	86.3556846666667	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+3Na"	68.967654
"1658611"	259.094088	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Na+HCOOH"	68.994688
"164382"	457.11784	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+2K-H"	76.91904
"609410"	647.21724	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+2K-H"	76.91904
"1099148"	267.01844	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2K-H"	76.91904
"156698"	229.062558	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"2M+2K"	77.926316
"595647"	324.112258	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"3M+2K"	77.926316
"1075908"	134.012858	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2K"	77.926316
"1106930"	269.032992	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2K+H"	78.933592
"1343313"	269.120607	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+DMSO+H"	79.021207
"1017309"	273.159776	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2ACN+H"	83.060376
"1528873"	274.153408	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+IsoProp+Na+H"	84.054008
"1000789"	137.083526	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+2ACN+2H"	84.067652
"1593105"	275.068028	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+K+HCOOH"	84.968628
"1415489"	305.099538	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+H+CF3COOH"	115.000138
"1150149"	157.596801	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+3ACN+2H"	125.094202
"1698608"	322.126085	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+NH4+CF3COOH"	132.026685
"1634241"	327.08148	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+Na+CF3COOH"	136.98208
"1578664"	343.05542	"C17854"	"Butylphthalide"	"C12H14O2"	"190.0994"	"M+K+CF3COOH"	152.95602
"809029"	356.126	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M"	0
"985842"	337.10761	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-H2O-H"	-19.01839
"76274"	236.410057333333	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M-3H"	-3.021828
"514739"	355.118724	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M-3H"	-3.021828
"893635"	117.701390666667	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-3H"	-3.021828
"11116"	355.118724	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M-2H"	-2.014552
"444116"	533.181724	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M-2H"	-2.014552
"830302"	177.055724	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-2H"	-2.014552
"87378"	711.244724	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M-H"	-1.007276
"532535"	1067.370724	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M-H"	-1.007276
"909480"	355.118724	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-H"	-1.007276
"61301"	728.271271	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M-2H+NH4"	16.019271
"493208"	1084.397271	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M-2H+NH4"	16.019271
"873196"	372.145271	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-2H+NH4"	16.019271
"37814"	733.226666	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M-2H+Na"	20.974666
"475547"	1089.352666	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M-2H+Na"	20.974666
"851529"	377.100666	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-2H+Na"	20.974666
"1631274"	377.100666	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Na-2H"	20.974666
"97962"	373.107063	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M-H+Cl"	33.962126
"547731"	551.170063	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M-H+Cl"	33.962126
"935413"	195.044063	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-H+Cl"	33.962126
"271781"	747.221402	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+Cl"	34.969402
"664570"	1103.347402	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+Cl"	34.969402
"1277700"	391.095402	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Cl"	34.969402
"27922"	749.200606	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M-2H+K"	36.948606
"466388"	1105.326606	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M-2H+K"	36.948606
"842001"	393.074606	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-2H+K"	36.948606
"1562205"	393.074606	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+K-2H"	36.948606
"945345"	401.124194	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-H+HCOOH"	44.998194
"364290"	757.250201	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+HCOOH-H"	44.998201
"346715"	771.265851	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+Hac-H"	59.013851
"1493963"	415.139851	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Hac-H"	59.013851
"961629"	423.106151	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-H+NaCOOH"	66.980151
"114190"	391.095402	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+2Cl"	69.938804
"555935"	569.158402	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+2Cl"	69.938804
"1032394"	213.032402	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2Cl"	69.938804
"1247962"	435.044885	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Br"	78.918885
"1311506"	437.100872	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Cl+HCOOH"	80.974872
"1326450"	459.082829	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Cl+NaCOOH"	102.956829
"915320"	469.111586	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M-H+CF3COOH"	112.985586
"1288822"	505.088264	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Cl+CF3COOH"	148.962264
"1369099"	321.113324	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H-2H2O"	-35.012676
"1387689"	339.1233	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H-H2O"	-17.0027
"284093"	713.259276	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+H"	1.007276
"678706"	1069.385276	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+H"	1.007276
"1352498"	357.133276	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H"	1.007276
"127575"	357.133276	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+2H"	2.014552
"566404"	535.196276	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+2H"	2.014552
"1037756"	179.070276	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2H"	2.014552
"205288"	238.424609333333	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+3H"	3.021828
"645213"	357.133276	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+3H"	3.021828
"1164184"	119.715942666667	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+3H"	3.021828
"424388"	730.285823	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+NH4"	18.033823
"786872"	1086.411823	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+NH4"	18.033823
"1683081"	374.159823	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+NH4"	18.033823
"330876"	365.6465495	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+H+NH4"	19.041099
"723782"	543.7095495	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+H+NH4"	19.041099
"1485765"	187.5835495	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H+NH4"	19.041099
"401165"	735.241218	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+Na"	22.989218
"758880"	1091.367218	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+Na"	22.989218
"1610263"	379.115218	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Na"	22.989218
"329060"	368.124247	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+H+Na"	23.996494
"721845"	546.187247	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+H+Na"	23.996494
"1475297"	190.061247	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H+Na"	23.996494
"1067211"	127.043256666667	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2H+Na"	25.00377
"1270587"	389.159486	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+CH3OH+H"	33.033486
"390620"	751.215158	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+K"	38.963158
"751980"	1107.341158	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+K"	38.963158
"1551850"	395.089158	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+K"	38.963158
"311942"	376.111217	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+H+K"	39.970434
"705700"	554.174217	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+H+K"	39.970434
"1457817"	198.048217	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H+K"	39.970434
"241680"	754.285826	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+ACN+H"	42.033826
"1220949"	398.159826	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+ACN+H"	42.033826
"1203739"	199.583551	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+ACN+2H"	43.041102
"197704"	757.22316	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+2Na-H"	44.97116
"638357"	1113.34916	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+2Na-H"	44.97116
"1142956"	401.09716	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2Na-H"	44.97116
"176406"	379.115218	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+2Na"	45.978436
"617059"	557.178218	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+2Na"	45.978436
"1119470"	201.052218	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2Na"	45.978436
"1399836"	134.370570666667	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H+2Na"	46.985712
"1435111"	403.138746	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H+HCOOH"	47.012746
"221887"	384.14824	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+3H2O+2H"	56.04448
"1511770"	417.19079	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+IsoProp+H"	61.06479
"414749"	387.102188	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+Na+K"	61.952376
"773556"	565.165188	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+Na+K"	61.952376
"1668798"	209.039188	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Na+K"	61.952376
"256408"	776.267768	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+ACN+Na"	64.015768
"1231307"	420.141768	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+ACN+Na"	64.015768
"1718005"	420.165293	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+NH4+HCOOH"	64.039293
"1184453"	141.697884666667	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+3Na"	68.967654
"1659814"	425.120688	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Na+HCOOH"	68.994688
"168865"	789.17104	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+2K-H"	76.91904
"607329"	1145.29704	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+2K-H"	76.91904
"1098406"	433.04504	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2K-H"	76.91904
"154129"	395.089158	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"2M+2K"	77.926316
"593690"	573.152158	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"3M+2K"	77.926316
"1076018"	217.026158	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2K"	77.926316
"1112507"	435.059592	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2K+H"	78.933592
"1343423"	435.147207	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+DMSO+H"	79.021207
"1017419"	439.186376	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2ACN+H"	83.060376
"1532263"	440.180008	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+IsoProp+Na+H"	84.054008
"999806"	220.096826	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+2ACN+2H"	84.067652
"1593216"	441.094628	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+K+HCOOH"	84.968628
"1416692"	471.126138	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+H+CF3COOH"	115.000138
"1150258"	240.610101	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+3ACN+2H"	125.094202
"1697989"	488.152685	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+NH4+CF3COOH"	132.026685
"1634217"	493.10808	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+Na+CF3COOH"	136.98208
"1578774"	509.08202	"C17855"	"Coniferyl ferulate"	"C20H20O6"	"356.126"	"M+K+CF3COOH"	152.95602
"812419"	198.0681	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M"	0
"985951"	179.04971	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-H2O-H"	-19.01839
"76382"	131.038124	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M-3H"	-3.021828
"517036"	197.060824	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M-3H"	-3.021828
"893624"	65.015424	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-3H"	-3.021828
"12319"	197.060824	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M-2H"	-2.014552
"448599"	296.094874	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M-2H"	-2.014552
"825308"	98.026774	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-2H"	-2.014552
"89675"	395.128924	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M-H"	-1.007276
"529236"	593.197024	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M-H"	-1.007276
"910076"	197.060824	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-H"	-1.007276
"61048"	412.155471	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M-2H+NH4"	16.019271
"495504"	610.223571	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M-2H+NH4"	16.019271
"872212"	214.087371	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-2H+NH4"	16.019271
"42297"	417.110866	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M-2H+Na"	20.974666
"475657"	615.178966	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M-2H+Na"	20.974666
"852003"	219.042766	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-2H+Na"	20.974666
"1631020"	219.042766	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Na-2H"	20.974666
"99165"	215.049163	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M-H+Cl"	33.962126
"548205"	314.083213	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M-H+Cl"	33.962126
"935523"	116.015113	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-H+Cl"	33.962126
"270432"	431.105602	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+Cl"	34.969402
"668689"	629.173702	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+Cl"	34.969402
"1277811"	233.037502	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Cl"	34.969402
"25842"	433.084806	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M-2H+K"	36.948606
"465401"	631.152906	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M-2H+K"	36.948606
"842109"	235.016706	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-2H+K"	36.948606
"1560489"	235.016706	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+K-2H"	36.948606
"945820"	243.066294	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-H+HCOOH"	44.998194
"364764"	441.134401	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+HCOOH-H"	44.998201
"347190"	455.150051	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+Hac-H"	59.013851
"1494073"	257.081951	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Hac-H"	59.013851
"961374"	265.048251	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-H+NaCOOH"	66.980151
"112108"	233.037502	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+2Cl"	69.938804
"551178"	332.071552	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+2Cl"	69.938804
"1030317"	134.003452	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2Cl"	69.938804
"1250987"	276.986985	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Br"	78.918885
"1308697"	279.042972	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Cl+HCOOH"	80.974872
"1322184"	301.024929	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Cl+NaCOOH"	102.956829
"911741"	311.053686	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M-H+CF3COOH"	112.985586
"1289949"	347.030364	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Cl+CF3COOH"	148.962264
"1368472"	163.055424	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H-2H2O"	-35.012676
"1384512"	181.0654	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H-H2O"	-17.0027
"283716"	397.143476	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+H"	1.007276
"677355"	595.211576	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+H"	1.007276
"1352609"	199.075376	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H"	1.007276
"130237"	199.075376	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+2H"	2.014552
"567972"	298.109426	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+2H"	2.014552
"1038230"	100.041326	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2H"	2.014552
"206128"	133.052676	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+3H"	3.021828
"646537"	199.075376	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+3H"	3.021828
"1163691"	67.029976	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+3H"	3.021828
"426351"	414.170023	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+NH4"	18.033823
"788443"	612.238123	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+NH4"	18.033823
"1684407"	216.101923	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+NH4"	18.033823
"331597"	207.5886495	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+H+NH4"	19.041099
"724747"	306.6226995	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+H+NH4"	19.041099
"1477519"	108.5545995	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H+NH4"	19.041099
"394708"	419.125418	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+Na"	22.989218
"756799"	617.193518	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+Na"	22.989218
"1608178"	221.057318	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Na"	22.989218
"326971"	210.066347	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+H+Na"	23.996494
"719392"	309.100397	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+H+Na"	23.996494
"1473211"	111.032297	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H+Na"	23.996494
"1065372"	74.35729	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2H+Na"	25.00377
"1269241"	231.101586	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+CH3OH+H"	33.033486
"390003"	435.099358	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+K"	38.963158
"748812"	633.167458	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+K"	38.963158
"1553051"	237.031258	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+K"	38.963158
"312412"	218.053317	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+H+K"	39.970434
"700459"	317.087367	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+H+K"	39.970434
"1458656"	119.019267	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H+K"	39.970434
"242881"	438.170026	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+ACN+H"	42.033826
"1216684"	240.101926	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+ACN+H"	42.033826
"1201658"	120.554601	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+ACN+2H"	43.041102
"192343"	441.10736	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+2Na-H"	44.97116
"632998"	639.17546	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+2Na-H"	44.97116
"1133224"	243.03926	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2Na-H"	44.97116
"175418"	221.057318	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+2Na"	45.978436
"617164"	320.091368	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+2Na"	45.978436
"1117266"	122.023268	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2Na"	45.978436
"1403103"	81.684604	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H+2Na"	46.985712
"1430966"	245.080846	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H+HCOOH"	47.012746
"222361"	226.09034	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+3H2O+2H"	56.04448
"1511881"	259.13289	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+IsoProp+H"	61.06479
"412671"	229.044288	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+Na+K"	61.952376
"774760"	328.078338	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+Na+K"	61.952376
"1671094"	130.010238	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Na+K"	61.952376
"257613"	460.151968	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+ACN+Na"	64.015768
"1230322"	262.083868	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+ACN+Na"	64.015768
"1718113"	262.107393	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+NH4+HCOOH"	64.039293
"1181281"	89.011918	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+3Na"	68.967654
"1654456"	267.062788	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Na+HCOOH"	68.994688
"166785"	473.05524	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+2K-H"	76.91904
"610718"	671.12334	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+2K-H"	76.91904
"1090860"	274.98714	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2K-H"	76.91904
"152052"	237.031258	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"2M+2K"	77.926316
"590517"	336.065308	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"3M+2K"	77.926316
"1078312"	137.997208	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2K"	77.926316
"1109334"	277.001692	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2K+H"	78.933592
"1342436"	277.089307	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+DMSO+H"	79.021207
"1008782"	281.128476	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2ACN+H"	83.060376
"1535657"	282.122108	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+IsoProp+Na+H"	84.054008
"1003196"	141.067876	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+2ACN+2H"	84.067652
"1593325"	283.036728	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+K+HCOOH"	84.968628
"1416072"	313.068238	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+H+CF3COOH"	115.000138
"1152555"	161.581151	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+3ACN+2H"	125.094202
"1698099"	330.094785	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+NH4+CF3COOH"	132.026685
"1634156"	335.05018	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+Na+CF3COOH"	136.98208
"1578884"	351.02412	"C17856"	"Atractylodinol"	"C13H10O2"	"198.0681"	"M+K+CF3COOH"	152.95602
"816888"	240.0786	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M"	0
"986062"	221.06021	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"73212"	159.045124	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"512773"	239.071324	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"893855"	79.018924	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"12429"	239.071324	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"447616"	359.110624	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"825418"	119.032024	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"87598"	479.149924	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"530439"	719.228524	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"910186"	239.071324	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"61158"	496.176471	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"494521"	736.255071	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"869406"	256.097871	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"41314"	501.131866	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"476498"	741.210466	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"851022"	261.053266	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1628214"	261.053266	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"98182"	257.059663	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"545399"	377.098963	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"932353"	137.020363	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"267865"	515.126602	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"665518"	755.205202	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1275735"	275.048002	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"24859"	517.105806	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"463324"	757.184406	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"841125"	277.027206	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1556590"	277.027206	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"943130"	285.076794	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"361871"	525.155401	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"345750"	539.171051	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1493089"	299.092451	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"958928"	307.058751	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"112218"	275.048002	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"550439"	395.087302	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1032613"	155.008702	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1251097"	318.997485	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1309172"	321.053472	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1322294"	343.035429	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"911890"	353.064186	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1289326"	389.040864	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1367487"	205.065924	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1383285"	223.0759	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"283218"	481.164476	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"677829"	721.243076	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1353448"	241.085876	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"127553"	241.085876	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"567475"	361.125176	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1038340"	121.046576	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"205144"	161.059676	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"645432"	241.085876	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1162882"	81.033476	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"425370"	498.191023	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"788190"	738.269623	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1684155"	258.112423	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"333165"	249.5991495	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"723882"	369.6384495	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1477087"	129.5598495	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"393111"	503.146418	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"755086"	743.225018	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1605008"	263.067818	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"327081"	252.076847	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"719502"	372.116147	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1473321"	132.037547	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1061107"	88.36079	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1266068"	273.112086	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"389748"	519.120358	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"751107"	759.198958	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1552067"	279.041758	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"310336"	260.063817	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"702757"	380.103117	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1457672"	140.024517	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"246270"	522.191026	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1215701"	282.112426	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1200675"	141.559851	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"192454"	525.12836	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"630675"	765.20696	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1134428"	285.04976	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"174068"	263.067818	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"615087"	383.107118	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1119688"	143.028518	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1403213"	95.688104	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1433142"	287.091346	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"221742"	268.10084	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1510167"	301.14339	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"412781"	271.054788	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"772682"	391.094088	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1671204"	151.015488	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"257723"	544.172968	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1229337"	304.094368	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1718223"	304.117893	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1182119"	103.015418	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1654566"	309.073288	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"164708"	557.07624	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"605361"	797.15484	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1093155"	316.99764	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"154349"	279.041758	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"591720"	399.081058	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1080608"	159.002458	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1109445"	319.012192	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1345826"	319.099807	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1013265"	323.138976	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1533580"	324.132608	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"1002214"	162.073126	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1596715"	325.047228	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1416911"	355.078738	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1151572"	182.586401	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1698936"	372.105285	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1637874"	377.06068	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1578994"	393.03462	"C17857"	"Acetylatractylodinol"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"809359"	448.2308	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M"	0
"974626"	429.21241	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-H2O-H"	-19.01839
"67853"	297.813257333333	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M-3H"	-3.021828
"510694"	447.223524	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M-3H"	-3.021828
"888497"	148.402990666667	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-3H"	-3.021828
"9257"	447.223524	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M-2H"	-2.014552
"448819"	671.338924	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M-2H"	-2.014552
"825528"	223.108124	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-2H"	-2.014552
"88801"	895.454324	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M-H"	-1.007276
"529456"	1343.685124	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M-H"	-1.007276
"903976"	447.223524	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-H"	-1.007276
"60417"	912.480871	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M-2H+NH4"	16.019271
"493538"	1360.711671	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M-2H+NH4"	16.019271
"865872"	464.250071	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-2H+NH4"	16.019271
"41424"	917.436266	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M-2H+Na"	20.974666
"474422"	1365.667066	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M-2H+Na"	20.974666
"850039"	469.205466	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-2H+Na"	20.974666
"1628324"	469.205466	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Na-2H"	20.974666
"98292"	465.211863	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M-H+Cl"	33.962126
"545509"	689.327263	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M-H+Cl"	33.962126
"933556"	241.096463	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-H+Cl"	33.962126
"268831"	931.431002	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+Cl"	34.969402
"662346"	1379.661802	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+Cl"	34.969402
"1274749"	483.200202	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Cl"	34.969402
"16007"	933.410206	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M-2H+K"	36.948606
"457962"	1381.641006	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M-2H+K"	36.948606
"832846"	485.179406	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-2H+K"	36.948606
"1557065"	485.179406	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+K-2H"	36.948606
"944581"	493.228994	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-H+HCOOH"	44.998194
"361702"	941.459801	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+HCOOH-H"	44.998201
"345983"	955.475451	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+Hac-H"	59.013851
"1493688"	507.244651	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Hac-H"	59.013851
"958798"	515.210951	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-H+NaCOOH"	66.980151
"110545"	483.200202	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+2Cl"	69.938804
"550070"	707.315602	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+2Cl"	69.938804
"1032723"	259.084802	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2Cl"	69.938804
"1250114"	527.149685	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Br"	78.918885
"1311470"	529.205672	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Cl+HCOOH"	80.974872
"1323133"	551.187629	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Cl+NaCOOH"	102.956829
"911386"	561.216386	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M-H+CF3COOH"	112.985586
"1288994"	597.193064	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Cl+CF3COOH"	148.962264
"1367472"	413.218124	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H-2H2O"	-35.012676
"1382813"	431.2281	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H-H2O"	-17.0027
"282903"	897.468876	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+H"	1.007276
"677209"	1345.699676	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+H"	1.007276
"1352584"	449.238076	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H"	1.007276
"126812"	449.238076	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+2H"	2.014552
"566369"	673.353476	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+2H"	2.014552
"1038817"	225.122676	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2H"	2.014552
"205620"	299.827809333333	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+3H"	3.021828
"644814"	449.238076	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+3H"	3.021828
"1163060"	150.417542666667	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+3H"	3.021828
"425117"	914.495423	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+NH4"	18.033823
"787570"	1362.726223	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+NH4"	18.033823
"1682442"	466.264623	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+NH4"	18.033823
"332179"	457.7513495	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+H+NH4"	19.041099
"723625"	681.8667495	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+H+NH4"	19.041099
"1477129"	233.6359495	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H+NH4"	19.041099
"393337"	919.450818	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+Na"	22.989218
"755926"	1367.681618	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+Na"	22.989218
"1605118"	471.220018	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Na"	22.989218
"323908"	460.229047	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+H+Na"	23.996494
"719611"	684.344447	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+H+Na"	23.996494
"1474160"	236.113647	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H+Na"	23.996494
"1065227"	157.744856666667	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2H+Na"	25.00377
"1268364"	481.264286	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+CH3OH+H"	33.033486
"391314"	935.424758	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+K"	38.963158
"752310"	1383.655558	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+K"	38.963158
"1554730"	487.193958	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+K"	38.963158
"314017"	468.216017	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+H+K"	39.970434
"705053"	692.331417	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+H+K"	39.970434
"1459966"	244.100617	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H+K"	39.970434
"243100"	938.495426	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+ACN+H"	42.033826
"1221277"	490.264626	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+ACN+H"	42.033826
"1200786"	245.635951	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+ACN+2H"	43.041102
"194751"	941.43276	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+2Na-H"	44.97116
"632125"	1389.66356	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+2Na-H"	44.97116
"1132351"	493.20196	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2Na-H"	44.97116
"175637"	471.220018	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+2Na"	45.978436
"615197"	695.335418	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+2Na"	45.978436
"1120891"	247.104618	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2Na"	45.978436
"1402228"	165.072170666667	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H+2Na"	46.985712
"1435438"	495.243546	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H+HCOOH"	47.012746
"221851"	476.25304	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+3H2O+2H"	56.04448
"1510277"	509.29559	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+IsoProp+H"	61.06479
"412891"	479.206988	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+Na+K"	61.952376
"774980"	703.322388	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+Na+K"	61.952376
"1672407"	255.091588	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Na+K"	61.952376
"257832"	960.477368	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+ACN+Na"	64.015768
"1229447"	512.246568	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+ACN+Na"	64.015768
"1717240"	512.270093	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+NH4+HCOOH"	64.039293
"1183688"	172.399484666667	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+3Na"	68.967654
"1657956"	517.225488	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Na+HCOOH"	68.994688
"168098"	973.38064	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+2K-H"	76.91904
"605471"	1421.61144	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+2K-H"	76.91904
"1095452"	525.14984	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2K-H"	76.91904
"151179"	487.193958	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"2M+2K"	77.926316
"594017"	711.309358	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"3M+2K"	77.926316
"1079625"	263.078558	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2K"	77.926316
"1107368"	527.164392	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2K+H"	78.933592
"1345940"	527.252007	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+DMSO+H"	79.021207
"1011190"	531.291176	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2ACN+H"	83.060376
"1530408"	532.284808	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+IsoProp+Na+H"	84.054008
"994668"	266.149226	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+2ACN+2H"	84.067652
"1591359"	533.199428	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+K+HCOOH"	84.968628
"1418114"	563.230938	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+H+CF3COOH"	115.000138
"1151683"	286.662501	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+3ACN+2H"	125.094202
"1698318"	580.257485	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+NH4+CF3COOH"	132.026685
"1637984"	585.21288	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+Na+CF3COOH"	136.98208
"1579104"	601.18682	"C17858"	"Atractyloside A"	"C21H36O10"	"448.2308"	"M+K+CF3COOH"	152.95602
"809469"	450.2465	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M"	0
"974252"	431.22811	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-H2O-H"	-19.01839
"66870"	299.157057333333	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M-3H"	-3.021828
"509711"	449.239224	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M-3H"	-3.021828
"889700"	149.074890666667	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-3H"	-3.021828
"6087"	449.239224	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M-2H"	-2.014552
"447835"	674.362474	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M-2H"	-2.014552
"825638"	224.115974	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-2H"	-2.014552
"88911"	899.485724	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M-H"	-1.007276
"528472"	1349.732224	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M-H"	-1.007276
"902993"	449.239224	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-H"	-1.007276
"51901"	916.512271	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M-2H+NH4"	16.019271
"490366"	1366.758771	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M-2H+NH4"	16.019271
"866705"	466.265771	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-2H+NH4"	16.019271
"38252"	921.467666	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M-2H+Na"	20.974666
"474530"	1371.714166	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M-2H+Na"	20.974666
"849783"	471.221166	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-2H+Na"	20.974666
"1630621"	471.221166	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Na-2H"	20.974666
"101682"	467.227563	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M-H+Cl"	33.962126
"545616"	692.350813	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M-H+Cl"	33.962126
"931478"	242.104313	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-H+Cl"	33.962126
"268453"	935.462402	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+Cl"	34.969402
"660623"	1385.708902	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+Cl"	34.969402
"1273556"	485.215902	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Cl"	34.969402
"16394"	937.441606	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M-2H+K"	36.948606
"455775"	1387.688106	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M-2H+K"	36.948606
"832879"	487.195106	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-2H+K"	36.948606
"1556314"	487.195106	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+K-2H"	36.948606
"942808"	495.244694	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-H+HCOOH"	44.998194
"361484"	945.491201	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+HCOOH-H"	44.998201
"345728"	959.506851	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+Hac-H"	59.013851
"1492755"	509.260351	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Hac-H"	59.013851
"958736"	517.226651	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-H+NaCOOH"	66.980151
"111100"	485.215902	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+2Cl"	69.938804
"550171"	710.339152	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+2Cl"	69.938804
"1028823"	260.092652	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2Cl"	69.938804
"1245485"	529.165385	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Br"	78.918885
"1304409"	531.221372	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Cl+HCOOH"	80.974872
"1320448"	553.203329	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Cl+NaCOOH"	102.956829
"911865"	563.232086	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M-H+CF3COOH"	112.985586
"1288648"	599.208764	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Cl+CF3COOH"	148.962264
"1367334"	415.233824	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H-2H2O"	-35.012676
"1383627"	433.2438	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H-H2O"	-17.0027
"283436"	901.500276	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+H"	1.007276
"676467"	1351.746776	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+H"	1.007276
"1351709"	451.253776	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H"	1.007276
"125725"	451.253776	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+2H"	2.014552
"566186"	676.377026	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+2H"	2.014552
"1037337"	226.130526	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2H"	2.014552
"205112"	301.171609333333	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+3H"	3.021828
"644917"	451.253776	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+3H"	3.021828
"1163286"	151.089442666667	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+3H"	3.021828
"424859"	918.526823	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+NH4"	18.033823
"786583"	1368.773323	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+NH4"	18.033823
"1682550"	468.280323	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+NH4"	18.033823
"333381"	459.7670495	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+H+NH4"	19.041099
"726532"	684.8902995	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+H+NH4"	19.041099
"1478176"	234.6437995	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H+NH4"	19.041099
"393403"	923.482218	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+Na"	22.989218
"755301"	1373.728718	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+Na"	22.989218
"1605228"	473.235718	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Na"	22.989218
"320738"	462.244747	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+H+Na"	23.996494
"718627"	687.367997	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+H+Na"	23.996494
"1474634"	237.121497	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H+Na"	23.996494
"1065701"	158.416756666667	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2H+Na"	25.00377
"1268474"	483.279986	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+CH3OH+H"	33.033486
"390331"	939.456158	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+K"	38.963158
"752420"	1389.702658	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+K"	38.963158
"1554837"	489.209658	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+K"	38.963158
"312742"	470.231717	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+H+K"	39.970434
"701883"	695.354967	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+H+K"	39.970434
"1451328"	245.108467	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H+K"	39.970434
"239929"	942.526826	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+ACN+H"	42.033826
"1214823"	492.280326	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+ACN+H"	42.033826
"1197615"	246.643801	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+ACN+2H"	43.041102
"194861"	945.46416	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+2Na-H"	44.97116
"632235"	1395.71066	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+2Na-H"	44.97116
"1135741"	495.21766	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2Na-H"	44.97116
"176841"	473.235718	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+2Na"	45.978436
"616400"	698.358968	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+2Na"	45.978436
"1121001"	248.112468	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2Na"	45.978436
"1402338"	165.744070666667	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H+2Na"	46.985712
"1435182"	497.259246	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H+HCOOH"	47.012746
"224148"	478.26874	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+3H2O+2H"	56.04448
"1516221"	511.31129	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+IsoProp+H"	61.06479
"410449"	481.222688	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+Na+K"	61.952376
"775454"	706.345938	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+Na+K"	61.952376
"1670331"	256.099438	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Na+K"	61.952376
"255756"	964.508768	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+ACN+Na"	64.015768
"1229921"	514.262268	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+ACN+Na"	64.015768
"1715892"	514.285793	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+NH4+HCOOH"	64.039293
"1183798"	173.071384666667	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+3Na"	68.967654
"1658066"	519.241188	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Na+HCOOH"	68.994688
"166021"	977.41204	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+2K-H"	76.91904
"603394"	1427.65854	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+2K-H"	76.91904
"1092282"	527.16554	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2K-H"	76.91904
"151289"	489.209658	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"2M+2K"	77.926316
"593034"	714.332908	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"3M+2K"	77.926316
"1080828"	264.086408	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2K"	77.926316
"1110758"	529.180092	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2K+H"	78.933592
"1346050"	529.267707	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+DMSO+H"	79.021207
"1013485"	533.306876	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2ACN+H"	83.060376
"1530518"	534.300508	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+IsoProp+Na+H"	84.054008
"994778"	267.157076	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+2ACN+2H"	84.067652
"1591469"	535.215128	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+K+HCOOH"	84.968628
"1419317"	565.246638	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+H+CF3COOH"	115.000138
"1151792"	287.670351	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+3ACN+2H"	125.094202
"1700249"	582.273185	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+NH4+CF3COOH"	132.026685
"1638094"	587.22858	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+Na+CF3COOH"	136.98208
"1579214"	603.20252	"C17859"	"Atractyloside B"	"C21H38O10"	"450.2465"	"M+K+CF3COOH"	152.95602
"809579"	400.2461	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M"	0
"974559"	381.22771	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-H2O-H"	-19.01839
"66980"	265.823457333333	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M-3H"	-3.021828
"508727"	399.238824	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M-3H"	-3.021828
"889810"	132.408090666667	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-3H"	-3.021828
"6197"	399.238824	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M-2H"	-2.014552
"447945"	599.361874	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M-2H"	-2.014552
"825748"	199.115774	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-2H"	-2.014552
"87928"	799.484924	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M-H"	-1.007276
"527489"	1199.731024	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M-H"	-1.007276
"904196"	399.238824	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-H"	-1.007276
"53103"	816.511471	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M-2H+NH4"	16.019271
"490836"	1216.757571	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M-2H+NH4"	16.019271
"870462"	416.265371	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-2H+NH4"	16.019271
"36539"	821.466866	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M-2H+Na"	20.974666
"475004"	1221.712966	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M-2H+Na"	20.974666
"850985"	421.220766	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-2H+Na"	20.974666
"1630731"	421.220766	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Na-2H"	20.974666
"101792"	417.227163	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M-H+Cl"	33.962126
"545726"	617.350213	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M-H+Cl"	33.962126
"931588"	217.104113	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-H+Cl"	33.962126
"270144"	835.461602	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+Cl"	34.969402
"660860"	1235.707702	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+Cl"	34.969402
"1274966"	435.215502	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Cl"	34.969402
"16301"	837.440806	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M-2H+K"	36.948606
"455948"	1237.686906	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M-2H+K"	36.948606
"832881"	437.194706	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-2H+K"	36.948606
"1556061"	437.194706	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+K-2H"	36.948606
"943580"	445.244294	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-H+HCOOH"	44.998194
"361525"	845.490401	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+HCOOH-H"	44.998201
"347266"	859.506051	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+Hac-H"	59.013851
"1493048"	459.259951	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Hac-H"	59.013851
"958616"	467.226251	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-H+NaCOOH"	66.980151
"111820"	435.215502	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+2Cl"	69.938804
"550889"	635.338552	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+2Cl"	69.938804
"1028933"	235.092452	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2Cl"	69.938804
"1248147"	479.164985	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Br"	78.918885
"1306222"	481.220972	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Cl+HCOOH"	80.974872
"1324812"	503.202929	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Cl+NaCOOH"	102.956829
"911855"	513.231686	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M-H+CF3COOH"	112.985586
"1288843"	549.208364	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Cl+CF3COOH"	148.962264
"1367175"	365.233424	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H-2H2O"	-35.012676
"1383857"	383.2434	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H-H2O"	-17.0027
"283665"	801.499476	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+H"	1.007276
"676579"	1201.745576	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+H"	1.007276
"1352031"	401.253376	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H"	1.007276
"127028"	401.253376	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+2H"	2.014552
"566221"	601.376426	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+2H"	2.014552
"1038059"	201.130326	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2H"	2.014552
"205472"	267.838009333333	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+3H"	3.021828
"644786"	401.253376	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+3H"	3.021828
"1163886"	134.422642666667	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+3H"	3.021828
"425697"	818.526023	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+NH4"	18.033823
"787786"	1218.772123	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+NH4"	18.033823
"1682660"	418.279923	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+NH4"	18.033823
"331668"	409.7666495	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+H+NH4"	19.041099
"724820"	609.8896995	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+H+NH4"	19.041099
"1479015"	209.6435995	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H+NH4"	19.041099
"393682"	823.481418	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+Na"	22.989218
"756505"	1223.727518	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+Na"	22.989218
"1607525"	423.235318	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Na"	22.989218
"324128"	412.244347	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+H+Na"	23.996494
"719831"	612.367397	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+H+Na"	23.996494
"1475837"	212.121297	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H+Na"	23.996494
"1060338"	141.749956666667	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2H+Na"	25.00377
"1267491"	433.279586	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+CH3OH+H"	33.033486
"389346"	839.455358	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+K"	38.963158
"748154"	1239.701458	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+K"	38.963158
"1554340"	439.209258	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+K"	38.963158
"308476"	420.231317	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+H+K"	39.970434
"703086"	620.354367	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+H+K"	39.970434
"1453625"	220.108267	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H+K"	39.970434
"243320"	842.526026	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+ACN+H"	42.033826
"1213841"	442.279926	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+ACN+H"	42.033826
"1201006"	221.643601	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+ACN+2H"	43.041102
"191692"	845.46336	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+2Na-H"	44.97116
"631252"	1245.70946	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+2Na-H"	44.97116
"1136944"	445.21726	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2Na-H"	44.97116
"175129"	423.235318	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+2Na"	45.978436
"617605"	623.358368	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+2Na"	45.978436
"1118925"	223.112268	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2Na"	45.978436
"1402813"	149.077270666667	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H+2Na"	46.985712
"1430676"	447.258846	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H+HCOOH"	47.012746
"222558"	428.26834	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+3H2O+2H"	56.04448
"1514509"	461.31089	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+IsoProp+H"	61.06479
"411652"	431.222288	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+Na+K"	61.952376
"775564"	631.345338	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+Na+K"	61.952376
"1670441"	231.099238	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Na+K"	61.952376
"255866"	864.507968	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+ACN+Na"	64.015768
"1227481"	464.261868	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+ACN+Na"	64.015768
"1716367"	464.285393	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+NH4+HCOOH"	64.039293
"1181721"	156.404584666667	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+3Na"	68.967654
"1653803"	469.240788	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Na+HCOOH"	68.994688
"165038"	877.41124	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+2K-H"	76.91904
"602411"	1277.65734	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+2K-H"	76.91904
"1090205"	477.16514	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2K-H"	76.91904
"152490"	439.209258	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"2M+2K"	77.926316
"590957"	639.332308	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"3M+2K"	77.926316
"1080939"	239.086208	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2K"	77.926316
"1113906"	479.179692	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2K+H"	78.933592
"1346160"	479.267307	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+DMSO+H"	79.021207
"1012503"	483.306476	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2ACN+H"	83.060376
"1526254"	484.300108	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+IsoProp+Na+H"	84.054008
"994888"	242.156876	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+2ACN+2H"	84.067652
"1589392"	485.214728	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+K+HCOOH"	84.968628
"1414685"	515.246238	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+H+CF3COOH"	115.000138
"1149715"	262.670151	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+3ACN+2H"	125.094202
"1699266"	532.272785	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+NH4+CF3COOH"	132.026685
"1636017"	537.22818	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+Na+CF3COOH"	136.98208
"1579324"	553.20212	"C17860"	"Atractyloside C"	"C21H36O7"	"400.2461"	"M+K+CF3COOH"	152.95602
"809689"	562.2989	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M"	0
"975930"	543.28051	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-H2O-H"	-19.01839
"70370"	373.858657333333	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M-3H"	-3.021828
"508837"	561.291624	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M-3H"	-3.021828
"891013"	186.425690666667	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-3H"	-3.021828
"9587"	561.291624	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M-2H"	-2.014552
"448055"	842.441074	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M-2H"	-2.014552
"826951"	280.142174	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-2H"	-2.014552
"92047"	1123.590524	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M-H"	-1.007276
"529785"	1685.889424	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M-H"	-1.007276
"907586"	561.291624	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-H"	-1.007276
"53213"	1140.617071	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M-2H+NH4"	16.019271
"489492"	1702.915971	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M-2H+NH4"	16.019271
"870572"	578.318171	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-2H+NH4"	16.019271
"36649"	1145.572466	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M-2H+Na"	20.974666
"473656"	1707.871366	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M-2H+Na"	20.974666
"850490"	583.273566	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-2H+Na"	20.974666
"1622093"	583.273566	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Na-2H"	20.974666
"101902"	579.279963	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M-H+Cl"	33.962126
"545836"	860.429413	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M-H+Cl"	33.962126
"931698"	298.130513	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-H+Cl"	33.962126
"270255"	1159.567202	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+Cl"	34.969402
"661700"	1721.866102	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+Cl"	34.969402
"1275440"	597.268302	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Cl"	34.969402
"16416"	1161.546406	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M-2H+K"	36.948606
"457317"	1723.845306	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M-2H+K"	36.948606
"834632"	599.247506	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-2H+K"	36.948606
"1556417"	599.247506	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+K-2H"	36.948606
"943814"	607.297094	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-H+HCOOH"	44.998194
"363120"	1169.596001	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+HCOOH-H"	44.998201
"348105"	1183.611651	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+Hac-H"	59.013851
"1493036"	621.312751	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Hac-H"	59.013851
"958539"	629.279051	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-H+NaCOOH"	66.980151
"111202"	597.268302	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+2Cl"	69.938804
"551124"	878.417752	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+2Cl"	69.938804
"1029043"	316.118852	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2Cl"	69.938804
"1246434"	641.217785	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Br"	78.918885
"1305602"	643.273772	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Cl+HCOOH"	80.974872
"1320302"	665.255729	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Cl+NaCOOH"	102.956829
"911381"	675.284486	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M-H+CF3COOH"	112.985586
"1288502"	711.261164	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Cl+CF3COOH"	148.962264
"1367134"	527.286224	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H-2H2O"	-35.012676
"1382871"	545.2962	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H-H2O"	-17.0027
"283044"	1125.605076	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+H"	1.007276
"676078"	1687.903976	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+H"	1.007276
"1351337"	563.306176	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H"	1.007276
"126163"	563.306176	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+2H"	2.014552
"566453"	844.455626	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+2H"	2.014552
"1037083"	282.156726	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2H"	2.014552
"204486"	375.873209333333	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+3H"	3.021828
"644411"	563.306176	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+3H"	3.021828
"1163263"	188.440242666667	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+3H"	3.021828
"426537"	1142.631623	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+NH4"	18.033823
"787897"	1704.930523	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+NH4"	18.033823
"1683500"	580.332723	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+NH4"	18.033823
"332143"	571.8194495	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+H+NH4"	19.041099
"725656"	852.9688995	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+H+NH4"	19.041099
"1477543"	290.6699995	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H+NH4"	19.041099
"393787"	1147.587018	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+Na"	22.989218
"755034"	1709.885918	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+Na"	22.989218
"1605448"	585.288118	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Na"	22.989218
"324238"	574.297147	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+H+Na"	23.996494
"718848"	855.446597	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+H+Na"	23.996494
"1471574"	293.147697	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H+Na"	23.996494
"1065916"	195.767556666667	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2H+Na"	25.00377
"1269782"	595.332386	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+CH3OH+H"	33.033486
"390550"	1163.560958	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+K"	38.963158
"749357"	1725.859858	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+K"	38.963158
"1555100"	601.262058	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+K"	38.963158
"309679"	582.284117	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+H+K"	39.970434
"704289"	863.433567	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+H+K"	39.970434
"1450455"	301.134667	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H+K"	39.970434
"241242"	1166.631626	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+ACN+H"	42.033826
"1216136"	604.332726	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+ACN+H"	42.033826
"1205489"	302.670001	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+ACN+2H"	43.041102
"195082"	1169.56896	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+2Na-H"	44.97116
"633549"	1731.86786	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+2Na-H"	44.97116
"1140334"	607.27006	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2Na-H"	44.97116
"177062"	585.288118	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+2Na"	45.978436
"617715"	866.437568	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+2Na"	45.978436
"1119035"	304.138668	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2Na"	45.978436
"1403652"	203.094870666667	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H+2Na"	46.985712
"1431394"	609.311646	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H+HCOOH"	47.012746
"222547"	590.32114	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+3H2O+2H"	56.04448
"1514620"	623.36369	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+IsoProp+H"	61.06479
"409575"	593.275088	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+Na+K"	61.952376
"771665"	874.424538	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+Na+K"	61.952376
"1673831"	312.125638	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Na+K"	61.952376
"253790"	1188.613568	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+ACN+Na"	64.015768
"1227588"	626.314668	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+ACN+Na"	64.015768
"1714776"	626.338193	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+NH4+HCOOH"	64.039293
"1180009"	210.422184666667	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+3Na"	68.967654
"1653913"	631.293588	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Na+HCOOH"	68.994688
"166241"	1201.51684	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+2K-H"	76.91904
"602521"	1763.81574	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+2K-H"	76.91904
"1089222"	639.21794	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2K-H"	76.91904
"152600"	601.262058	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"2M+2K"	77.926316
"591067"	882.411508	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"3M+2K"	77.926316
"1078860"	320.112608	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2K"	77.926316
"1114747"	641.232492	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2K+H"	78.933592
"1350279"	641.320107	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+DMSO+H"	79.021207
"1015893"	645.359276	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2ACN+H"	83.060376
"1537906"	646.352908	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+IsoProp+Na+H"	84.054008
"993906"	323.183276	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+2ACN+2H"	84.067652
"1598250"	647.267528	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+K+HCOOH"	84.968628
"1416257"	677.299038	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+H+CF3COOH"	115.000138
"1148733"	343.696551	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+3ACN+2H"	125.094202
"1697554"	694.325585	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+NH4+CF3COOH"	132.026685
"1638314"	699.28098	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+Na+CF3COOH"	136.98208
"1579434"	715.25492	"C17861"	"Atractyloside D"	"C27H46O12"	"562.2989"	"M+K+CF3COOH"	152.95602
"809799"	694.3412	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M"	0
"974946"	675.32281	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-H2O-H"	-19.01839
"70480"	461.886857333333	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M-3H"	-3.021828
"508947"	693.333924	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M-3H"	-3.021828
"890030"	230.439790666667	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-3H"	-3.021828
"9697"	693.333924	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M-2H"	-2.014552
"448165"	1040.504524	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M-2H"	-2.014552
"827061"	346.163324	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-2H"	-2.014552
"89242"	1387.675124	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M-H"	-1.007276
"529895"	2082.016324	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M-H"	-1.007276
"904416"	693.333924	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-H"	-1.007276
"53323"	1404.701671	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M-2H+NH4"	16.019271
"488873"	2099.042871	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M-2H+NH4"	16.019271
"869589"	710.360471	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-2H+NH4"	16.019271
"36759"	1409.657066	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M-2H+Na"	20.974666
"476682"	2103.998266	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M-2H+Na"	20.974666
"850236"	715.315866	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-2H+Na"	20.974666
"1622203"	715.315866	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Na-2H"	20.974666
"95451"	711.322263	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M-H+Cl"	33.962126
"539385"	1058.492863	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M-H+Cl"	33.962126
"930715"	364.151663	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-H+Cl"	33.962126
"269271"	1423.651802	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+Cl"	34.969402
"661687"	2117.993002	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+Cl"	34.969402
"1275186"	729.310602	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Cl"	34.969402
"16114"	1425.631006	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M-2H+K"	36.948606
"456940"	2119.972206	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M-2H+K"	36.948606
"836564"	731.289806	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-2H+K"	36.948606
"1556892"	731.289806	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+K-2H"	36.948606
"943560"	739.339394	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-H+HCOOH"	44.998194
"361892"	1433.680601	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+HCOOH-H"	44.998201
"346504"	1447.696251	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+Hac-H"	59.013851
"1493106"	753.355051	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Hac-H"	59.013851
"958582"	761.321351	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-H+NaCOOH"	66.980151
"110947"	729.310602	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+2Cl"	69.938804
"552328"	1076.481202	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+2Cl"	69.938804
"1026967"	382.140002	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2Cl"	69.938804
"1244355"	773.260085	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Br"	78.918885
"1306076"	775.316072	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Cl+HCOOH"	80.974872
"1320291"	797.298029	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Cl+NaCOOH"	102.956829
"911832"	807.326786	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M-H+CF3COOH"	112.985586
"1288983"	843.303464	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Cl+CF3COOH"	148.962264
"1367122"	659.328524	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H-2H2O"	-35.012676
"1382903"	677.3385	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H-H2O"	-17.0027
"283278"	1389.689676	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+H"	1.007276
"675835"	2084.030876	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+H"	1.007276
"1351432"	695.348476	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H"	1.007276
"126875"	695.348476	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+2H"	2.014552
"566922"	1042.519076	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+2H"	2.014552
"1037545"	348.177876	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2H"	2.014552
"204718"	463.901409333333	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+3H"	3.021828
"644439"	695.348476	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+3H"	3.021828
"1163494"	232.454342666667	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+3H"	3.021828
"425191"	1406.716223	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+NH4"	18.033823
"790196"	2101.057423	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+NH4"	18.033823
"1684704"	712.375023	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+NH4"	18.033823
"332981"	703.8617495	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+H+NH4"	19.041099
"726495"	1051.0323495	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+H+NH4"	19.041099
"1477896"	356.6911495	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H+NH4"	19.041099
"393121"	1411.671618	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+Na"	22.989218
"755995"	2106.012818	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+Na"	22.989218
"1604465"	717.330418	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Na"	22.989218
"326534"	706.339447	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+H+Na"	23.996494
"720416"	1053.510047	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+H+Na"	23.996494
"1471684"	359.168847	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H+Na"	23.996494
"1068432"	239.781656666667	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2H+Na"	25.00377
"1269892"	727.374686	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+CH3OH+H"	33.033486
"388472"	1427.645558	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+K"	38.963158
"747280"	2121.986758	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+K"	38.963158
"1554802"	733.304358	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+K"	38.963158
"307602"	714.326417	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+H+K"	39.970434
"703306"	1061.497017	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+H+K"	39.970434
"1450565"	367.155817	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H+K"	39.970434
"238072"	1430.716226	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+ACN+H"	42.033826
"1214060"	736.375026	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+ACN+H"	42.033826
"1202319"	368.691151	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+ACN+2H"	43.041102
"195192"	1433.65356	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+2Na-H"	44.97116
"633659"	2127.99476	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+2Na-H"	44.97116
"1142631"	739.31236	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2Na-H"	44.97116
"179359"	717.330418	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+2Na"	45.978436
"618918"	1064.501018	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+2Na"	45.978436
"1119145"	370.159818	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2Na"	45.978436
"1400482"	247.108970666667	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H+2Na"	46.985712
"1433690"	741.353946	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H+HCOOH"	47.012746
"224479"	722.36344	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+3H2O+2H"	56.04448
"1512907"	755.40599	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+IsoProp+H"	61.06479
"408956"	725.317388	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+Na+K"	61.952376
"775420"	1072.487988	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+Na+K"	61.952376
"1673941"	378.146788	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Na+K"	61.952376
"256086"	1452.698168	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+ACN+Na"	64.015768
"1228428"	758.356968	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+ACN+Na"	64.015768
"1716587"	758.380493	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+NH4+HCOOH"	64.039293
"1180848"	254.436284666667	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+3Na"	68.967654
"1655116"	763.335888	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Na+HCOOH"	68.994688
"166351"	1465.60144	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+2K-H"	76.91904
"602631"	2159.94264	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+2K-H"	76.91904
"1089332"	771.26024	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2K-H"	76.91904
"149429"	733.304358	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"2M+2K"	77.926316
"587895"	1080.474958	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"3M+2K"	77.926316
"1076782"	386.133758	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2K"	77.926316
"1113640"	773.274792	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2K+H"	78.933592
"1347471"	773.362407	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+DMSO+H"	79.021207
"1012723"	777.401576	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2ACN+H"	83.060376
"1537408"	778.395208	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+IsoProp+Na+H"	84.054008
"996203"	389.204426	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+2ACN+2H"	84.067652
"1596174"	779.309828	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+K+HCOOH"	84.968628
"1414544"	809.341338	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+H+CF3COOH"	115.000138
"1147750"	409.717701	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+3ACN+2H"	125.094202
"1697300"	826.367885	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+NH4+CF3COOH"	132.026685
"1636237"	831.32328	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+Na+CF3COOH"	136.98208
"1579544"	847.29722	"C17862"	"Atractyloside E"	"C32H54O16"	"694.3412"	"M+K+CF3COOH"	152.95602
"809909"	826.3834	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M"	0
"976880"	807.36501	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-H2O-H"	-19.01839
"71685"	549.914990666667	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M-3H"	-3.021828
"506871"	825.376124	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M-3H"	-3.021828
"887953"	274.453857333333	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-3H"	-3.021828
"3247"	825.376124	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M-2H"	-2.014552
"447182"	1238.567824	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M-2H"	-2.014552
"823891"	412.184424	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-2H"	-2.014552
"89352"	1651.759524	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M-H"	-1.007276
"528912"	2478.142924	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M-H"	-1.007276
"901246"	825.376124	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-H"	-1.007276
"50153"	1668.786071	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M-2H+NH4"	16.019271
"489711"	2495.169471	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M-2H+NH4"	16.019271
"867512"	842.402671	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-2H+NH4"	16.019271
"37599"	1673.741466	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M-2H+Na"	20.974666
"474239"	2500.124866	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M-2H+Na"	20.974666
"849861"	847.358066	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-2H+Na"	20.974666
"1623406"	847.358066	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Na-2H"	20.974666
"95561"	843.364463	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M-H+Cl"	33.962126
"539495"	1256.556163	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M-H+Cl"	33.962126
"930825"	430.172763	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-H+Cl"	33.962126
"267800"	1687.736202	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+Cl"	34.969402
"661799"	2514.119602	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+Cl"	34.969402
"1274202"	861.352802	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Cl"	34.969402
"16388"	1689.715406	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M-2H+K"	36.948606
"455986"	2516.098806	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M-2H+K"	36.948606
"834488"	863.332006	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-2H+K"	36.948606
"1557244"	863.332006	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+K-2H"	36.948606
"943060"	871.381594	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-H+HCOOH"	44.998194
"362247"	1697.765001	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+HCOOH-H"	44.998201
"346493"	1711.780651	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+Hac-H"	59.013851
"1492839"	885.397251	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Hac-H"	59.013851
"958583"	893.363551	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-H+NaCOOH"	66.980151
"112879"	861.352802	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+2Cl"	69.938804
"552437"	1274.544502	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+2Cl"	69.938804
"1028170"	448.161102	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2Cl"	69.938804
"1244465"	905.302285	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Br"	78.918885
"1304767"	907.358272	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Cl+HCOOH"	80.974872
"1322588"	929.340229	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Cl+NaCOOH"	102.956829
"913279"	939.368986	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M-H+CF3COOH"	112.985586
"1288470"	975.345664	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Cl+CF3COOH"	148.962264
"1367580"	791.370724	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H-2H2O"	-35.012676
"1384553"	809.3807	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H-H2O"	-17.0027
"283876"	1653.774076	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+H"	1.007276
"676055"	2480.157476	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+H"	1.007276
"1352272"	827.390676	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H"	1.007276
"126986"	827.390676	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+2H"	2.014552
"568003"	1240.582376	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+2H"	2.014552
"1039355"	414.198976	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2H"	2.014552
"206282"	551.929542666667	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+3H"	3.021828
"644753"	827.390676	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+3H"	3.021828
"1164333"	276.468409333333	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+3H"	3.021828
"426396"	1670.800623	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+NH4"	18.033823
"789577"	2497.184023	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+NH4"	18.033823
"1686635"	844.417223	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+NH4"	18.033823
"331026"	835.9039495	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+H+NH4"	19.041099
"725876"	1249.0956495	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+H+NH4"	19.041099
"1477110"	422.7122495	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H+NH4"	19.041099
"393114"	1675.756018	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+Na"	22.989218
"754760"	2502.139418	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+Na"	22.989218
"1602896"	849.372618	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Na"	22.989218
"317893"	838.381647	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+H+Na"	23.996494
"717244"	1251.573347	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+H+Na"	23.996494
"1469972"	425.189947	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H+Na"	23.996494
"1066136"	283.795723333333	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2H+Na"	25.00377
"1268909"	859.416886	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+CH3OH+H"	33.033486
"387489"	1691.729958	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+K"	38.963158
"748481"	2518.113358	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+K"	38.963158
"1549444"	865.346558	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+K"	38.963158
"307712"	846.368617	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+H+K"	39.970434
"703416"	1259.560317	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+H+K"	39.970434
"1453955"	433.176917	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H+K"	39.970434
"238182"	1694.800626	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+ACN+H"	42.033826
"1214170"	868.417226	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+ACN+H"	42.033826
"1202429"	434.712251	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+ACN+2H"	43.041102
"197490"	1697.73796	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+2Na-H"	44.97116
"639965"	2524.12136	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+2Na-H"	44.97116
"1142741"	871.35456	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2Na-H"	44.97116
"179470"	849.372618	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+2Na"	45.978436
"617935"	1262.564318	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+2Na"	45.978436
"1122535"	436.180918	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2Na"	45.978436
"1406060"	291.123037333333	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H+2Na"	46.985712
"1435987"	873.396146	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H+HCOOH"	47.012746
"224589"	854.40564	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+3H2O+2H"	56.04448
"1511923"	887.44819	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+IsoProp+H"	61.06479
"415629"	857.359588	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+Na+K"	61.952376
"773707"	1270.551288	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+Na+K"	61.952376
"1675144"	444.167888	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Na+K"	61.952376
"257288"	1716.782568	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+ACN+Na"	64.015768
"1228174"	890.399168	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+ACN+Na"	64.015768
"1717790"	890.422693	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+NH4+HCOOH"	64.039293
"1185332"	298.450351333333	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+3Na"	68.967654
"1653038"	895.378088	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Na+HCOOH"	68.994688
"166461"	1729.68584	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+2K-H"	76.91904
"601647"	2556.06924	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+2K-H"	76.91904
"1088348"	903.30244	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2K-H"	76.91904
"146258"	865.346558	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"2M+2K"	77.926316
"590192"	1278.538258	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"3M+2K"	77.926316
"1079079"	452.154858	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2K"	77.926316
"1112290"	905.316992	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2K+H"	78.933592
"1341023"	905.404607	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+DMSO+H"	79.021207
"1011740"	909.443776	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2ACN+H"	83.060376
"1535331"	910.437408	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+IsoProp+Na+H"	84.054008
"995219"	455.225526	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+2ACN+2H"	84.067652
"1590816"	911.352028	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+K+HCOOH"	84.968628
"1414653"	941.383538	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+H+CF3COOH"	115.000138
"1148953"	475.738801	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+3ACN+2H"	125.094202
"1699599"	958.410085	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+NH4+CF3COOH"	132.026685
"1634642"	963.36548	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+Na+CF3COOH"	136.98208
"1579654"	979.33942	"C17863"	"Atractyloside F"	"C37H62O20"	"826.3834"	"M+K+CF3COOH"	152.95602
"813300"	416.241	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M"	0
"980271"	397.22261	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-H2O-H"	-19.01839
"71795"	276.486724	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M-3H"	-3.021828
"506981"	415.233724	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M-3H"	-3.021828
"888063"	137.739724	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-3H"	-3.021828
"3357"	415.233724	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M-2H"	-2.014552
"446199"	623.354224	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M-2H"	-2.014552
"827283"	207.113224	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-2H"	-2.014552
"89462"	831.474724	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M-H"	-1.007276
"527565"	1247.715724	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M-H"	-1.007276
"901356"	415.233724	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-H"	-1.007276
"50263"	848.501271	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M-2H+NH4"	16.019271
"489821"	1264.742271	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M-2H+NH4"	16.019271
"869809"	432.260271	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-2H+NH4"	16.019271
"36616"	853.456666	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M-2H+Na"	20.974666
"472529"	1269.697666	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M-2H+Na"	20.974666
"852887"	437.215666	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-2H+Na"	20.974666
"1623516"	437.215666	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Na-2H"	20.974666
"95671"	433.222063	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M-H+Cl"	33.962126
"539605"	641.342563	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M-H+Cl"	33.962126
"930935"	225.101563	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-H+Cl"	33.962126
"267789"	867.451402	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+Cl"	34.969402
"661544"	1283.692402	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+Cl"	34.969402
"1274312"	451.210402	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Cl"	34.969402
"16379"	869.430606	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M-2H+K"	36.948606
"455758"	1285.671606	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M-2H+K"	36.948606
"832902"	453.189606	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-2H+K"	36.948606
"1557721"	453.189606	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+K-2H"	36.948606
"944142"	461.239194	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-H+HCOOH"	44.998194
"361584"	877.480201	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+HCOOH-H"	44.998201
"346357"	891.495851	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+Hac-H"	59.013851
"1493247"	475.254851	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Hac-H"	59.013851
"958967"	483.221151	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-H+NaCOOH"	66.980151
"114082"	451.210402	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+2Cl"	69.938804
"552183"	659.330902	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+2Cl"	69.938804
"1028280"	243.089902	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2Cl"	69.938804
"1243481"	495.159885	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Br"	78.918885
"1305568"	497.215872	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Cl+HCOOH"	80.974872
"1320510"	519.197829	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Cl+NaCOOH"	102.956829
"911563"	529.226586	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M-H+CF3COOH"	112.985586
"1289002"	565.203264	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Cl+CF3COOH"	148.962264
"1367097"	381.228324	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H-2H2O"	-35.012676
"1383327"	399.2383	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H-H2O"	-17.0027
"283623"	833.489276	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+H"	1.007276
"676044"	1249.730276	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+H"	1.007276
"1351467"	417.248276	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H"	1.007276
"126129"	417.248276	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+2H"	2.014552
"565929"	625.368776	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+2H"	2.014552
"1037646"	209.127776	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2H"	2.014552
"204696"	278.501276	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+3H"	3.021828
"646567"	417.248276	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+3H"	3.021828
"1163152"	139.754276	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+3H"	3.021828
"426506"	850.515823	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+NH4"	18.033823
"787863"	1266.756823	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+NH4"	18.033823
"1683101"	434.274823	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+NH4"	18.033823
"330650"	425.7615495	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+H+NH4"	19.041099
"725260"	633.8820495	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+H+NH4"	19.041099
"1477469"	217.6410495	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H+NH4"	19.041099
"393311"	855.471218	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+Na"	22.989218
"754345"	1271.712218	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+Na"	22.989218
"1603051"	439.230218	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Na"	22.989218
"319097"	428.239247	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+H+Na"	23.996494
"717352"	636.359747	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+H+Na"	23.996494
"1471900"	220.118747	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H+Na"	23.996494
"1066490"	147.08159	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2H+Na"	25.00377
"1267926"	449.274486	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+CH3OH+H"	33.033486
"382131"	871.445158	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+K"	38.963158
"746405"	1287.686158	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+K"	38.963158
"1550644"	455.204158	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+K"	38.963158
"304541"	436.226217	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+H+K"	39.970434
"703526"	644.346717	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+H+K"	39.970434
"1456252"	228.105717	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H+K"	39.970434
"240479"	874.515826	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+ACN+H"	42.033826
"1212093"	458.274826	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+ACN+H"	42.033826
"1202539"	229.641051	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+ACN+2H"	43.041102
"195412"	877.45316	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+2Na-H"	44.97116
"637157"	1293.69416	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+2Na-H"	44.97116
"1141757"	461.21216	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2Na-H"	44.97116
"179579"	439.230218	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+2Na"	45.978436
"619138"	647.350718	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+2Na"	45.978436
"1123739"	231.109718	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2Na"	45.978436
"1402890"	154.408904	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H+2Na"	46.985712
"1431845"	463.253746	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H+HCOOH"	47.012746
"223606"	444.26324	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+3H2O+2H"	56.04448
"1512762"	477.30579	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+IsoProp+H"	61.06479
"416832"	447.217188	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+Na+K"	61.952376
"771629"	655.337688	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+Na+K"	61.952376
"1675254"	239.096688	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Na+K"	61.952376
"257399"	896.497768	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+ACN+Na"	64.015768
"1229013"	480.256768	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+ACN+Na"	64.015768
"1718995"	480.280293	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+NH4+HCOOH"	64.039293
"1185442"	161.736218	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+3Na"	68.967654
"1655336"	485.235688	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Na+HCOOH"	68.994688
"168759"	909.40104	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+2K-H"	76.91904
"601757"	1325.64204	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+2K-H"	76.91904
"1097204"	493.16004	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2K-H"	76.91904
"144544"	455.204158	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"2M+2K"	77.926316
"587022"	663.324658	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"3M+2K"	77.926316
"1074815"	247.083658	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2K"	77.926316
"1106932"	495.174592	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2K+H"	78.933592
"1347695"	495.262207	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+DMSO+H"	79.021207
"1011851"	499.301376	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2ACN+H"	83.060376
"1533255"	500.295008	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+IsoProp+Na+H"	84.054008
"992051"	250.154326	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+2ACN+2H"	84.067652
"1587646"	501.209628	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+K+HCOOH"	84.968628
"1414183"	531.241138	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+H+CF3COOH"	115.000138
"1149063"	270.667601	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+3ACN+2H"	125.094202
"1697887"	548.267685	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+NH4+CF3COOH"	132.026685
"1636457"	553.22308	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+Na+CF3COOH"	136.98208
"1579764"	569.19702	"C17864"	"Atractyloside G"	"C21H36O8"	"416.241"	"M+K+CF3COOH"	152.95602
"810129"	710.3361	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M"	0
"975396"	691.31771	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-H2O-H"	-19.01839
"72998"	472.550124	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M-3H"	-3.021828
"508184"	709.328824	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M-3H"	-3.021828
"889266"	235.771424	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-3H"	-3.021828
"3467"	709.328824	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M-2H"	-2.014552
"447402"	1064.496874	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M-2H"	-2.014552
"827393"	354.160774	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-2H"	-2.014552
"89572"	1419.664924	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M-H"	-1.007276
"529862"	2130.001024	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M-H"	-1.007276
"904746"	709.328824	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-H"	-1.007276
"52559"	1436.691471	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M-2H+NH4"	16.019271
"494306"	2147.027571	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M-2H+NH4"	16.019271
"873200"	726.355371	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-2H+NH4"	16.019271
"43286"	1441.646866	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M-2H+Na"	20.974666
"474098"	2151.982966	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M-2H+Na"	20.974666
"852997"	731.310766	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-2H+Na"	20.974666
"1622533"	731.310766	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Na-2H"	20.974666
"102342"	727.317163	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M-H+Cl"	33.962126
"549192"	1082.485213	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M-H+Cl"	33.962126
"929951"	372.149113	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-H+Cl"	33.962126
"273976"	1455.641602	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+Cl"	34.969402
"661412"	2165.977702	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+Cl"	34.969402
"1273816"	745.305502	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Cl"	34.969402
"16977"	1457.620806	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M-2H+K"	36.948606
"457266"	2167.956906	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M-2H+K"	36.948606
"833370"	747.284706	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-2H+K"	36.948606
"1556736"	747.284706	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+K-2H"	36.948606
"943887"	755.334294	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-H+HCOOH"	44.998194
"362224"	1465.670401	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+HCOOH-H"	44.998201
"346714"	1479.686051	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+Hac-H"	59.013851
"1494580"	769.349951	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Hac-H"	59.013851
"960298"	777.316251	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-H+NaCOOH"	66.980151
"112004"	745.305502	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+2Cl"	69.938804
"552293"	1100.473552	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+2Cl"	69.938804
"1026202"	390.137452	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2Cl"	69.938804
"1242134"	789.254985	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Br"	78.918885
"1306406"	791.310972	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Cl+HCOOH"	80.974872
"1321347"	813.292929	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Cl+NaCOOH"	102.956829
"913866"	823.321686	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M-H+CF3COOH"	112.985586
"1291666"	859.298364	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Cl+CF3COOH"	148.962264
"1367888"	675.323424	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H-2H2O"	-35.012676
"1383806"	693.3334	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H-H2O"	-17.0027
"284459"	1421.679476	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+H"	1.007276
"677002"	2132.015576	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+H"	1.007276
"1351770"	711.343376	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H"	1.007276
"126117"	711.343376	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+2H"	2.014552
"565919"	1066.511426	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+2H"	2.014552
"1037398"	356.175326	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2H"	2.014552
"204565"	474.564676	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+3H"	3.021828
"645220"	711.343376	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+3H"	3.021828
"1164073"	237.785976	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+3H"	3.021828
"425887"	1438.706023	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+NH4"	18.033823
"788340"	2149.042123	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+NH4"	18.033823
"1683577"	728.369923	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+NH4"	18.033823
"330519"	719.8566495	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+H+NH4"	19.041099
"725735"	1075.0246995	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+H+NH4"	19.041099
"1477624"	364.6885995	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H+NH4"	19.041099
"394966"	1443.661418	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+Na"	22.989218
"755597"	2153.997518	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+Na"	22.989218
"1603125"	733.325318	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Na"	22.989218
"318114"	722.334347	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+H+Na"	23.996494
"718190"	1077.502397	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+H+Na"	23.996494
"1469824"	367.166297	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H+Na"	23.996494
"1065263"	245.11329	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2H+Na"	25.00377
"1269130"	743.369586	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+CH3OH+H"	33.033486
"383334"	1459.635358	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+K"	38.963158
"747610"	2169.971458	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+K"	38.963158
"1551851"	749.299258	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+K"	38.963158
"310121"	730.321317	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+H+K"	39.970434
"704729"	1085.489367	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+H+K"	39.970434
"1454175"	375.153267	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H+K"	39.970434
"240589"	1462.706026	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+ACN+H"	42.033826
"1216575"	752.369926	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+ACN+H"	42.033826
"1202649"	376.688601	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+ACN+2H"	43.041102
"196616"	1465.64336	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+2Na-H"	44.97116
"639454"	2175.97946	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+2Na-H"	44.97116
"1143691"	755.30726	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2Na-H"	44.97116
"182970"	733.325318	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+2Na"	45.978436
"622530"	1088.493368	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+2Na"	45.978436
"1127130"	378.157268	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2Na"	45.978436
"1405187"	252.440604	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H+2Na"	46.985712
"1434021"	757.348846	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H+HCOOH"	47.012746
"223716"	738.35834	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+3H2O+2H"	56.04448
"1512873"	771.40089	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+IsoProp+H"	61.06479
"416942"	741.312288	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+Na+K"	61.952376
"771011"	1096.480338	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+Na+K"	61.952376
"1675364"	386.144238	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Na+K"	61.952376
"256416"	1484.687968	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+ACN+Na"	64.015768
"1229123"	774.351868	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+ACN+Na"	64.015768
"1716916"	774.375393	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+NH4+HCOOH"	64.039293
"1186647"	259.767918	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+3Na"	68.967654
"1660914"	779.330788	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Na+HCOOH"	68.994688
"168869"	1497.59124	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+2K-H"	76.91904
"601867"	2207.92734	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+2K-H"	76.91904
"1086745"	787.25514	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2K-H"	76.91904
"147569"	749.299258	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"2M+2K"	77.926316
"587132"	1104.467308	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"3M+2K"	77.926316
"1073831"	394.131208	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2K"	77.926316
"1110322"	789.269692	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2K+H"	78.933592
"1343430"	789.357307	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+DMSO+H"	79.021207
"1009773"	793.396476	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2ACN+H"	83.060376
"1528992"	794.390108	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+IsoProp+Na+H"	84.054008
"990211"	397.201876	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+2ACN+2H"	84.067652
"1591037"	795.304728	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+K+HCOOH"	84.968628
"1414752"	825.336238	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+H+CF3COOH"	115.000138
"1149172"	417.715151	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+3ACN+2H"	125.094202
"1700915"	842.362785	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+NH4+CF3COOH"	132.026685
"1635474"	847.31818	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+Na+CF3COOH"	136.98208
"1579874"	863.29212	"C17865"	"Atractyloside H"	"C32H54O17"	"710.3361"	"M+K+CF3COOH"	152.95602
"810239"	576.2782	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M"	0
"977211"	557.25981	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-H2O-H"	-19.01839
"69828"	383.178190666667	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M-3H"	-3.021828
"507201"	575.270924	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M-3H"	-3.021828
"881722"	191.085457333333	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-3H"	-3.021828
"1753"	575.270924	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M-2H"	-2.014552
"446419"	863.410024	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M-2H"	-2.014552
"828596"	287.131824	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-2H"	-2.014552
"88589"	1151.549124	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M-H"	-1.007276
"529970"	1727.827324	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M-H"	-1.007276
"903763"	575.270924	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-H"	-1.007276
"53762"	1168.575671	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M-2H+NH4"	16.019271
"494415"	1744.853871	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M-2H+NH4"	16.019271
"872216"	592.297471	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-2H+NH4"	16.019271
"43396"	1173.531066	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M-2H+Na"	20.974666
"474572"	1749.809266	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M-2H+Na"	20.974666
"852012"	597.252866	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-2H+Na"	20.974666
"1625923"	597.252866	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Na-2H"	20.974666
"98077"	593.259263	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M-H+Cl"	33.962126
"548573"	881.398363	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M-H+Cl"	33.962126
"934434"	305.120163	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-H+Cl"	33.962126
"274086"	1187.525802	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+Cl"	34.969402
"663588"	1763.804002	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+Cl"	34.969402
"1275627"	611.247602	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Cl"	34.969402
"19274"	1189.505006	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M-2H+K"	36.948606
"461022"	1765.783206	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M-2H+K"	36.948606
"834815"	613.226806	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-2H+K"	36.948606
"1558666"	613.226806	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+K-2H"	36.948606
"946548"	621.276394	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-H+HCOOH"	44.998194
"364036"	1197.554601	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+HCOOH-H"	44.998201
"347189"	1211.570251	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+Hac-H"	59.013851
"1494932"	635.292051	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Hac-H"	59.013851
"961016"	643.258351	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-H+NaCOOH"	66.980151
"111378"	611.247602	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+2Cl"	69.938804
"553132"	899.386702	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+2Cl"	69.938804
"1021933"	323.108502	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2Cl"	69.938804
"1242486"	655.197085	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Br"	78.918885
"1305787"	657.253072	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Cl+HCOOH"	80.974872
"1320486"	679.235029	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Cl+NaCOOH"	102.956829
"913976"	689.263786	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M-H+CF3COOH"	112.985586
"1290682"	725.240464	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Cl+CF3COOH"	148.962264
"1368121"	541.265524	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H-2H2O"	-35.012676
"1383430"	559.2755	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H-H2O"	-17.0027
"283227"	1153.563676	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+H"	1.007276
"676142"	1729.841876	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+H"	1.007276
"1352240"	577.285476	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H"	1.007276
"126101"	577.285476	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+2H"	2.014552
"566431"	865.424576	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+2H"	2.014552
"1037467"	289.146376	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2H"	2.014552
"205040"	385.192742666667	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+3H"	3.021828
"646060"	577.285476	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+3H"	3.021828
"1164185"	193.100009333333	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+3H"	3.021828
"427455"	1170.590223	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+NH4"	18.033823
"788816"	1746.868423	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+NH4"	18.033823
"1684054"	594.312023	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+NH4"	18.033823
"332332"	585.7987495	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+H+NH4"	19.041099
"726574"	873.9378495	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+H+NH4"	19.041099
"1479678"	297.6596495	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H+NH4"	19.041099
"396899"	1175.545618	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+Na"	22.989218
"756438"	1751.823818	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+Na"	22.989218
"1603193"	599.267418	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Na"	22.989218
"318588"	588.276447	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+H+Na"	23.996494
"711739"	876.415547	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+H+Na"	23.996494
"1466655"	300.137347	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H+Na"	23.996494
"1062094"	200.427323333333	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2H+Na"	25.00377
"1264868"	609.311686	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+CH3OH+H"	33.033486
"384539"	1191.519558	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+K"	38.963158
"747721"	1767.797758	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+K"	38.963158
"1551961"	615.241358	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+K"	38.963158
"309138"	596.263417	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+H+K"	39.970434
"703746"	884.402517	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+H+K"	39.970434
"1452098"	308.124317	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H+K"	39.970434
"241792"	1194.590226	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+ACN+H"	42.033826
"1212313"	618.312026	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+ACN+H"	42.033826
"1202759"	309.659651	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+ACN+2H"	43.041102
"198912"	1197.52756	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+2Na-H"	44.97116
"639564"	1773.80576	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+2Na-H"	44.97116
"1144529"	621.24936	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2Na-H"	44.97116
"184173"	599.267418	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+2Na"	45.978436
"622640"	887.406518	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+2Na"	45.978436
"1127240"	311.128318	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2Na"	45.978436
"1408577"	207.754637333333	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H+2Na"	46.985712
"1433037"	623.290946	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H+HCOOH"	47.012746
"223826"	604.30044	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+3H2O+2H"	56.04448
"1518450"	637.34299	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+IsoProp+H"	61.06479
"408899"	607.254388	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+Na+K"	61.952376
"770500"	895.393488	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+Na+K"	61.952376
"1670005"	319.115288	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Na+K"	61.952376
"251777"	1216.572168	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+ACN+Na"	64.015768
"1226430"	640.293968	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+ACN+Na"	64.015768
"1715933"	640.317493	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+NH4+HCOOH"	64.039293
"1180193"	215.081951333333	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+3Na"	68.967654
"1652276"	645.272888	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Na+HCOOH"	68.994688
"166792"	1229.47544	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+2K-H"	76.91904
"598697"	1805.75364	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+2K-H"	76.91904
"1088677"	653.19724	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2K-H"	76.91904
"145493"	615.241358	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"2M+2K"	77.926316
"584326"	903.380458	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"3M+2K"	77.926316
"1072848"	327.102258	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2K"	77.926316
"1110433"	655.211792	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2K+H"	78.933592
"1342447"	655.299407	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+DMSO+H"	79.021207
"1010977"	659.338576	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2ACN+H"	83.060376
"1529104"	660.332208	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+IsoProp+Na+H"	84.054008
"990567"	330.172926	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+2ACN+2H"	84.067652
"1591147"	661.246828	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+K+HCOOH"	84.968628
"1415714"	691.278338	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+H+CF3COOH"	115.000138
"1150375"	350.686201	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+3ACN+2H"	125.094202
"1701025"	708.304885	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+NH4+CF3COOH"	132.026685
"1642145"	713.26028	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+Na+CF3COOH"	136.98208
"1579984"	729.23422	"C17866"	"Atractyloside I"	"C27H44O13"	"576.2782"	"M+K+CF3COOH"	152.95602
"810349"	418.1416	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M"	0
"975497"	399.12321	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-H2O-H"	-19.01839
"65563"	277.753790666667	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M-3H"	-3.021828
"508404"	417.134324	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M-3H"	-3.021828
"882925"	138.373257333333	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-3H"	-3.021828
"2592"	417.134324	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M-2H"	-2.014552
"450902"	626.205124	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M-2H"	-2.014552
"824331"	208.063524	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-2H"	-2.014552
"83230"	835.275924	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M-H"	-1.007276
"523883"	1253.417524	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M-H"	-1.007276
"899498"	417.134324	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-H"	-1.007276
"53871"	852.302471	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M-2H+NH4"	16.019271
"490515"	1270.444071	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M-2H+NH4"	16.019271
"867221"	434.160871	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-2H+NH4"	16.019271
"34391"	857.257866	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M-2H+Na"	20.974666
"475044"	1275.399466	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M-2H+Na"	20.974666
"851392"	439.116266	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-2H+Na"	20.974666
"1620077"	439.116266	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Na-2H"	20.974666
"98187"	435.122663	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M-H+Cl"	33.962126
"541028"	644.193463	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M-H+Cl"	33.962126
"930170"	226.051863	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-H+Cl"	33.962126
"275288"	871.252602	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+Cl"	34.969402
"662605"	1289.394202	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+Cl"	34.969402
"1273546"	453.111002	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Cl"	34.969402
"16220"	873.231806	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M-2H+K"	36.948606
"456143"	1291.373406	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M-2H+K"	36.948606
"834196"	455.090206	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-2H+K"	36.948606
"1555858"	455.090206	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+K-2H"	36.948606
"943372"	463.139794	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-H+HCOOH"	44.998194
"361405"	881.281401	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+HCOOH-H"	44.998201
"345915"	895.297051	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+Hac-H"	59.013851
"1493704"	477.155451	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Hac-H"	59.013851
"960031"	485.121751	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-H+NaCOOH"	66.980151
"111125"	453.111002	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+2Cl"	69.938804
"553239"	662.181802	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+2Cl"	69.938804
"1023136"	244.040202	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2Cl"	69.938804
"1243202"	497.060485	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Br"	78.918885
"1307357"	499.116472	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Cl+HCOOH"	80.974872
"1322664"	521.098429	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Cl+NaCOOH"	102.956829
"914450"	531.127186	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M-H+CF3COOH"	112.985586
"1291158"	567.103864	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Cl+CF3COOH"	148.962264
"1368956"	383.128924	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H-2H2O"	-35.012676
"1384630"	401.1389	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H-H2O"	-17.0027
"282932"	837.290476	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+H"	1.007276
"676495"	1255.432076	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+H"	1.007276
"1351988"	419.148876	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H"	1.007276
"125774"	419.148876	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+2H"	2.014552
"566380"	628.219676	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+2H"	2.014552
"1037493"	210.078076	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2H"	2.014552
"204785"	279.768342666667	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+3H"	3.021828
"644465"	419.148876	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+3H"	3.021828
"1164539"	140.387809333333	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+3H"	3.021828
"425377"	854.317023	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+NH4"	18.033823
"787102"	1272.458623	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+NH4"	18.033823
"1683798"	436.175423	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+NH4"	18.033823
"333536"	427.6621495	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+H+NH4"	19.041099
"727779"	636.7329495	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+H+NH4"	19.041099
"1479421"	218.5913495	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H+NH4"	19.041099
"393969"	859.272418	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+Na"	22.989218
"755453"	1277.414018	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+Na"	22.989218
"1603426"	441.130818	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Na"	22.989218
"315294"	430.139847	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+H+Na"	23.996494
"708320"	639.210647	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+H+Na"	23.996494
"1467857"	221.069047	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H+Na"	23.996494
"1063297"	147.715123333333	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2H+Na"	25.00377
"1267161"	451.175086	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+CH3OH+H"	33.033486
"385743"	875.246358	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+K"	38.963158
"748925"	1293.387958	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+K"	38.963158
"1550978"	457.104758	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+K"	38.963158
"311434"	438.126817	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+H+K"	39.970434
"701667"	647.197617	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+H+K"	39.970434
"1454393"	229.056017	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H+K"	39.970434
"240808"	878.317026	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+ACN+H"	42.033826
"1214609"	460.175426	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+ACN+H"	42.033826
"1199587"	230.591351	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+ACN+2H"	43.041102
"196836"	881.25436	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+2Na-H"	44.97116
"638581"	1299.39596	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+2Na-H"	44.97116
"1144641"	463.11276	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2Na-H"	44.97116
"184283"	441.130818	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+2Na"	45.978436
"621657"	650.201618	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+2Na"	45.978436
"1127350"	232.060018	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2Na"	45.978436
"1407594"	155.042437333333	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H+2Na"	46.985712
"1433147"	465.154346	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H+HCOOH"	47.012746
"222113"	446.16384	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+3H2O+2H"	56.04448
"1518560"	479.20639	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+IsoProp+H"	61.06479
"409172"	449.117788	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+Na+K"	61.952376
"770611"	658.188588	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+Na+K"	61.952376
"1671208"	240.046988	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Na+K"	61.952376
"253346"	900.298968	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+ACN+Na"	64.015768
"1227146"	482.157368	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+ACN+Na"	64.015768
"1717136"	482.180893	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+NH4+HCOOH"	64.039293
"1180303"	162.369751333333	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+3Na"	68.967654
"1654573"	487.136288	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Na+HCOOH"	68.994688
"166902"	913.20224	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+2K-H"	76.91904
"600264"	1331.34384	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+2K-H"	76.91904
"1093161"	495.06064	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2K-H"	76.91904
"146697"	457.104758	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"2M+2K"	77.926316
"587352"	666.175558	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"3M+2K"	77.926316
"1072958"	248.033958	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2K"	77.926316
"1109449"	497.075192	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2K+H"	78.933592
"1343650"	497.162807	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+DMSO+H"	79.021207
"1011087"	501.201976	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2ACN+H"	83.060376
"1529212"	502.195608	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+IsoProp+Na+H"	84.054008
"992379"	251.104626	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+2ACN+2H"	84.067652
"1590164"	503.110228	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+K+HCOOH"	84.968628
"1414321"	533.141738	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+H+CF3COOH"	115.000138
"1148298"	271.617901	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+3ACN+2H"	125.094202
"1701135"	550.168285	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+NH4+CF3COOH"	132.026685
"1642255"	555.12368	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+Na+CF3COOH"	136.98208
"1580094"	571.09762	"C17867"	"Cyclomorusin"	"C25H22O6"	"418.1416"	"M+K+CF3COOH"	152.95602
"810459"	438.1679	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M"	0
"976700"	419.14951	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-H2O-H"	-19.01839
"67859"	291.104657333333	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M-3H"	-3.021828
"509607"	437.160624	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M-3H"	-3.021828
"883398"	145.048690666667	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-3H"	-3.021828
"2335"	437.160624	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M-2H"	-2.014552
"440118"	656.244574	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M-2H"	-2.014552
"822252"	218.076674	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-2H"	-2.014552
"85525"	875.328524	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M-H"	-1.007276
"521438"	1313.496424	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M-H"	-1.007276
"899608"	437.160624	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-H"	-1.007276
"55074"	892.355071	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M-2H+NH4"	16.019271
"500102"	1330.522971	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M-2H+NH4"	16.019271
"872436"	454.187171	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-2H+NH4"	16.019271
"32680"	897.310466	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M-2H+Na"	20.974666
"471671"	1335.478366	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M-2H+Na"	20.974666
"851139"	459.142566	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-2H+Na"	20.974666
"1620674"	459.142566	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Na-2H"	20.974666
"99390"	455.148963	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M-H+Cl"	33.962126
"540045"	674.232913	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M-H+Cl"	33.962126
"928091"	236.065013	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-H+Cl"	33.962126
"272118"	911.305202	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+Cl"	34.969402
"663808"	1349.473102	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+Cl"	34.969402
"1274145"	473.137302	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Cl"	34.969402
"21683"	913.284406	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M-2H+K"	36.948606
"460150"	1351.452306	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M-2H+K"	36.948606
"834671"	475.116506	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-2H+K"	36.948606
"1556336"	475.116506	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+K-2H"	36.948606
"942839"	483.166094	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-H+HCOOH"	44.998194
"361616"	921.334001	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+HCOOH-H"	44.998201
"346315"	935.349651	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+Hac-H"	59.013851
"1493037"	497.181751	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Hac-H"	59.013851
"959043"	505.148051	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-H+NaCOOH"	66.980151
"110586"	473.137302	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+2Cl"	69.938804
"551162"	692.221252	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+2Cl"	69.938804
"1025070"	254.053352	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2Cl"	69.938804
"1241729"	517.086785	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Br"	78.918885
"1308196"	519.142772	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Cl+HCOOH"	80.974872
"1322410"	541.124729	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Cl+NaCOOH"	102.956829
"912129"	551.153486	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M-H+CF3COOH"	112.985586
"1289080"	587.130164	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Cl+CF3COOH"	148.962264
"1368337"	403.155224	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H-2H2O"	-35.012676
"1383079"	421.1652	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H-H2O"	-17.0027
"282835"	877.343076	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+H"	1.007276
"676196"	1315.510976	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+H"	1.007276
"1351613"	439.175176	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H"	1.007276
"126079"	439.175176	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+2H"	2.014552
"566249"	658.259126	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+2H"	2.014552
"1037100"	220.091226	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2H"	2.014552
"204530"	293.119209333333	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+3H"	3.021828
"644619"	439.175176	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+3H"	3.021828
"1163679"	147.063242666667	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+3H"	3.021828
"427676"	894.369623	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+NH4"	18.033823
"786489"	1332.537523	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+NH4"	18.033823
"1682818"	456.201723	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+NH4"	18.033823
"330244"	447.6884495	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+H+NH4"	19.041099
"725705"	666.7723995	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+H+NH4"	19.041099
"1477340"	228.6044995	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H+NH4"	19.041099
"396025"	899.325018	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+Na"	22.989218
"756657"	1337.492918	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+Na"	22.989218
"1602928"	461.157118	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Na"	22.989218
"315891"	450.166147	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+H+Na"	23.996494
"707703"	669.250097	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+H+Na"	23.996494
"1469060"	231.082197	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H+Na"	23.996494
"1064500"	154.390556666667	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2H+Na"	25.00377
"1266177"	471.201386	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+CH3OH+H"	33.033486
"384760"	915.298958	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+K"	38.963158
"746849"	1353.466858	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+K"	38.963158
"1548899"	477.131058	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+K"	38.963158
"309358"	458.153117	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+H+K"	39.970434
"699591"	677.237067	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+H+K"	39.970434
"1453409"	239.069167	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H+K"	39.970434
"240918"	918.369626	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+ACN+H"	42.033826
"1216905"	480.201726	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+ACN+H"	42.033826
"1201884"	240.604501	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+ACN+2H"	43.041102
"198040"	921.30696	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+2Na-H"	44.97116
"640878"	1359.47486	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+2Na-H"	44.97116
"1144750"	483.13906	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2Na-H"	44.97116
"183299"	461.157118	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+2Na"	45.978436
"621766"	680.241068	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+2Na"	45.978436
"1127460"	242.073168	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2Na"	45.978436
"1407704"	161.717870666667	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H+2Na"	46.985712
"1433986"	485.180646	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H+HCOOH"	47.012746
"232795"	466.19014	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+3H2O+2H"	56.04448
"1513204"	499.23269	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+IsoProp+H"	61.06479
"409609"	469.144088	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+Na+K"	61.952376
"770844"	688.228038	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+Na+K"	61.952376
"1666810"	250.060138	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Na+K"	61.952376
"252122"	940.351568	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+ACN+Na"	64.015768
"1226404"	502.183668	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+ACN+Na"	64.015768
"1716153"	502.207193	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+NH4+HCOOH"	64.039293
"1178909"	169.045184666667	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+3Na"	68.967654
"1653590"	507.162588	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Na+HCOOH"	68.994688
"163732"	953.25484	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+2K-H"	76.91904
"600131"	1391.42274	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+2K-H"	76.91904
"1094365"	515.08694	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2K-H"	76.91904
"145348"	477.131058	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"2M+2K"	77.926316
"589646"	696.215008	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"3M+2K"	77.926316
"1072339"	258.047108	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2K"	77.926316
"1105183"	517.101492	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2K+H"	78.933592
"1343758"	517.189107	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+DMSO+H"	79.021207
"1017393"	521.228276	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2ACN+H"	83.060376
"1526284"	522.221908	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+IsoProp+Na+H"	84.054008
"1001237"	261.117776	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+2ACN+2H"	84.067652
"1589181"	523.136528	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+K+HCOOH"	84.968628
"1418120"	553.168038	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+H+CF3COOH"	115.000138
"1149501"	281.631051	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+3ACN+2H"	125.094202
"1701245"	570.194585	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+NH4+CF3COOH"	132.026685
"1642365"	575.14998	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+Na+CF3COOH"	136.98208
"1580204"	591.12392	"C17868"	"Morusinol;Oxyhydromorusin"	"C25H26O7"	"438.1679"	"M+K+CF3COOH"	152.95602
"810569"	436.1522	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M"	0
"976446"	417.13381	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-H2O-H"	-19.01839
"67969"	289.760857333333	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M-3H"	-3.021828
"508624"	435.144924	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M-3H"	-3.021828
"882414"	144.376790666667	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-3H"	-3.021828
"1716"	435.144924	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M-2H"	-2.014552
"439970"	653.221024	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M-2H"	-2.014552
"820175"	217.068824	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-2H"	-2.014552
"81259"	871.297124	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M-H"	-1.007276
"518873"	1307.449324	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M-H"	-1.007276
"897895"	435.144924	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-H"	-1.007276
"51175"	888.323671	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M-2H+NH4"	16.019271
"490369"	1324.475871	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M-2H+NH4"	16.019271
"870359"	452.171471	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-2H+NH4"	16.019271
"32426"	893.279066	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M-2H+Na"	20.974666
"472351"	1329.431266	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M-2H+Na"	20.974666
"850155"	457.126866	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-2H+Na"	20.974666
"1619042"	457.126866	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Na-2H"	20.974666
"98407"	453.133263	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M-H+Cl"	33.962126
"539061"	671.209363	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M-H+Cl"	33.962126
"928203"	235.057163	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-H+Cl"	33.962126
"269312"	907.273802	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+Cl"	34.969402
"661366"	1343.426002	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+Cl"	34.969402
"1274498"	471.121602	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Cl"	34.969402
"17783"	909.253006	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M-2H+K"	36.948606
"458437"	1345.405206	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M-2H+K"	36.948606
"832808"	473.100806	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-2H+K"	36.948606
"1555869"	473.100806	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+K-2H"	36.948606
"942781"	481.150394	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-H+HCOOH"	44.998194
"361629"	917.302601	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+HCOOH-H"	44.998201
"345709"	931.318251	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+Hac-H"	59.013851
"1493435"	495.166051	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Hac-H"	59.013851
"958495"	503.132351	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-H+NaCOOH"	66.980151
"110248"	471.121602	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+2Cl"	69.938804
"551273"	689.197702	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+2Cl"	69.938804
"1022629"	253.045502	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2Cl"	69.938804
"1241753"	515.071085	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Br"	78.918885
"1307213"	517.127072	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Cl+HCOOH"	80.974872
"1322156"	539.109029	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Cl+NaCOOH"	102.956829
"911550"	549.137786	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M-H+CF3COOH"	112.985586
"1289554"	585.114464	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Cl+CF3COOH"	148.962264
"1367430"	401.139524	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H-2H2O"	-35.012676
"1383392"	419.1495	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H-H2O"	-17.0027
"283236"	873.311676	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+H"	1.007276
"675983"	1309.463876	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+H"	1.007276
"1351602"	437.159476	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H"	1.007276
"126198"	437.159476	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+2H"	2.014552
"565878"	655.235576	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+2H"	2.014552
"1037268"	219.083376	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2H"	2.014552
"204522"	291.775409333333	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+3H"	3.021828
"645664"	437.159476	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+3H"	3.021828
"1163426"	146.391342666667	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+3H"	3.021828
"426695"	890.338223	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+NH4"	18.033823
"787692"	1326.490423	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+NH4"	18.033823
"1682929"	454.186023	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+NH4"	18.033823
"331208"	445.6727495	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+H+NH4"	19.041099
"729095"	663.7488495	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+H+NH4"	19.041099
"1477069"	227.5966495	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H+NH4"	19.041099
"395042"	895.293618	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+Na"	22.989218
"754456"	1331.445818	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+Na"	22.989218
"1602958"	459.141418	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Na"	22.989218
"315637"	448.150447	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+H+Na"	23.996494
"707571"	666.226547	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+H+Na"	23.996494
"1466983"	230.074347	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H+Na"	23.996494
"1062423"	153.718656666667	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2H+Na"	25.00377
"1266287"	469.185686	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+CH3OH+H"	33.033486
"385963"	911.267558	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+K"	38.963158
"745866"	1347.419758	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+K"	38.963158
"1550101"	475.115358	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+K"	38.963158
"308369"	456.137417	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+H+K"	39.970434
"699701"	674.213517	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+H+K"	39.970434
"1456797"	238.061317	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H+K"	39.970434
"239934"	914.338226	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+ACN+H"	42.033826
"1218109"	478.186026	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+ACN+H"	42.033826
"1200901"	239.596651	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+ACN+2H"	43.041102
"197786"	917.27556	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+2Na-H"	44.97116
"642448"	1353.42776	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+2Na-H"	44.97116
"1141945"	481.12336	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2Na-H"	44.97116
"180129"	459.141418	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+2Na"	45.978436
"624065"	677.217518	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+2Na"	45.978436
"1122466"	241.065318	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2Na"	45.978436
"1407813"	161.045970666667	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H+2Na"	46.985712
"1437742"	483.164946	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H+HCOOH"	47.012746
"232905"	464.17444	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+3H2O+2H"	56.04448
"1518781"	497.21699	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+IsoProp+H"	61.06479
"408800"	467.128388	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+Na+K"	61.952376
"770223"	685.204488	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+Na+K"	61.952376
"1666069"	249.052288	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Na+K"	61.952376
"253201"	936.320168	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+ACN+Na"	64.015768
"1225724"	500.167968	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+ACN+Na"	64.015768
"1716263"	500.191493	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+NH4+HCOOH"	64.039293
"1180516"	168.373284666667	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+3Na"	68.967654
"1652607"	505.146888	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Na+HCOOH"	68.994688
"162747"	949.22344	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+2K-H"	76.91904
"599875"	1385.37564	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+2K-H"	76.91904
"1089371"	513.07124	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2K-H"	76.91904
"145092"	475.115358	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"2M+2K"	77.926316
"586476"	693.191458	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"3M+2K"	77.926316
"1072449"	257.039258	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2K"	77.926316
"1109666"	515.085792	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2K+H"	78.933592
"1341680"	515.173407	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+DMSO+H"	79.021207
"1014586"	519.212576	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2ACN+H"	83.060376
"1531617"	520.206208	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+IsoProp+Na+H"	84.054008
"1001347"	260.109926	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+2ACN+2H"	84.067652
"1588439"	521.120828	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+K+HCOOH"	84.968628
"1416042"	551.152338	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+H+CF3COOH"	115.000138
"1150704"	280.623201	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+3ACN+2H"	125.094202
"1702448"	568.178885	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+NH4+CF3COOH"	132.026685
"1642475"	573.13428	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+Na+CF3COOH"	136.98208
"1580314"	589.10822	"C17869"	"Sanggenon A"	"C25H24O7"	"436.1522"	"M+K+CF3COOH"	152.95602
"810679"	570.189	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M"	0
"974734"	551.17061	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-H2O-H"	-19.01839
"65893"	379.118724	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M-3H"	-3.021828
"508734"	569.181724	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M-3H"	-3.021828
"881432"	189.055724	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-3H"	-3.021828
"1462"	569.181724	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M-2H"	-2.014552
"440449"	854.276224	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M-2H"	-2.014552
"817122"	284.087224	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-2H"	-2.014552
"78810"	1139.370724	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M-H"	-1.007276
"518739"	1709.559724	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M-H"	-1.007276
"896789"	569.181724	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-H"	-1.007276
"49827"	1156.397271	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M-2H+NH4"	16.019271
"489387"	1726.586271	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M-2H+NH4"	16.019271
"867189"	586.208271	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-2H+NH4"	16.019271
"33996"	1161.352666	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M-2H+Na"	20.974666
"472827"	1731.541666	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M-2H+Na"	20.974666
"849214"	591.163666	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-2H+Na"	20.974666
"1620166"	591.163666	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Na-2H"	20.974666
"99610"	587.170063	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M-H+Cl"	33.962126
"535890"	872.264563	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M-H+Cl"	33.962126
"927335"	302.075563	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-H+Cl"	33.962126
"269422"	1175.347402	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+Cl"	34.969402
"660869"	1745.536402	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+Cl"	34.969402
"1276067"	605.158402	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Cl"	34.969402
"20809"	1177.326606	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M-2H+K"	36.948606
"459275"	1747.515606	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M-2H+K"	36.948606
"832878"	607.137606	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-2H+K"	36.948606
"1556553"	607.137606	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+K-2H"	36.948606
"947355"	615.187194	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-H+HCOOH"	44.998194
"365571"	1185.376201	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+HCOOH-H"	44.998201
"352735"	1199.391851	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+Hac-H"	59.013851
"1497195"	629.202851	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Hac-H"	59.013851
"962547"	637.169151	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-H+NaCOOH"	66.980151
"110724"	605.158402	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+2Cl"	69.938804
"550775"	890.252902	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+2Cl"	69.938804
"1021717"	320.063902	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2Cl"	69.938804
"1241538"	649.107885	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Br"	78.918885
"1304440"	651.163872	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Cl+HCOOH"	80.974872
"1320031"	673.145829	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Cl+NaCOOH"	102.956829
"911821"	683.174586	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M-H+CF3COOH"	112.985586
"1288807"	719.151264	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Cl+CF3COOH"	148.962264
"1367332"	535.176324	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H-2H2O"	-35.012676
"1383377"	553.1863	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H-H2O"	-17.0027
"283301"	1141.385276	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+H"	1.007276
"675965"	1711.574276	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+H"	1.007276
"1351341"	571.196276	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H"	1.007276
"126671"	571.196276	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+2H"	2.014552
"566307"	856.290776	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+2H"	2.014552
"1037496"	286.101776	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2H"	2.014552
"205972"	381.133276	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+3H"	3.021828
"645406"	571.196276	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+3H"	3.021828
"1164018"	191.070276	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+3H"	3.021828
"426805"	1158.411823	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+NH4"	18.033823
"787800"	1728.600823	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+NH4"	18.033823
"1685225"	588.222823	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+NH4"	18.033823
"337880"	579.7095495	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+H+NH4"	19.041099
"728113"	864.8040495	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+H+NH4"	19.041099
"1478657"	294.6150495	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H+NH4"	19.041099
"394179"	1163.367218	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+Na"	22.989218
"756267"	1733.556218	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+Na"	22.989218
"1603758"	593.178218	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Na"	22.989218
"315255"	582.187247	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+H+Na"	23.996494
"707556"	867.281747	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+H+Na"	23.996494
"1467093"	297.092747	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H+Na"	23.996494
"1059250"	198.39759	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2H+Na"	25.00377
"1260927"	603.222486	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+CH3OH+H"	33.033486
"387159"	1179.341158	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+K"	38.963158
"745970"	1749.530158	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+K"	38.963158
"1545835"	609.152158	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+K"	38.963158
"305199"	590.174217	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+H+K"	39.970434
"698716"	875.268717	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+H+K"	39.970434
"1452535"	305.079717	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H+K"	39.970434
"242230"	1182.411826	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+ACN+H"	42.033826
"1213845"	612.222826	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+ACN+H"	42.033826
"1199188"	306.615051	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+ACN+2H"	43.041102
"198256"	1185.34916	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+2Na-H"	44.97116
"635630"	1755.53816	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+2Na-H"	44.97116
"1140962"	615.16016	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2Na-H"	44.97116
"178052"	593.178218	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+2Na"	45.978436
"619072"	878.272718	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+2Na"	45.978436
"1121483"	308.083718	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2Na"	45.978436
"1402091"	205.724904	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H+2Na"	46.985712
"1431291"	617.201746	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H+HCOOH"	47.012746
"220499"	598.21124	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+3H2O+2H"	56.04448
"1508554"	631.25379	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+IsoProp+H"	61.06479
"409094"	601.165188	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+Na+K"	61.952376
"770208"	886.259688	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+Na+K"	61.952376
"1665777"	316.070688	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Na+K"	61.952376
"252584"	1204.393768	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+ACN+Na"	64.015768
"1226014"	634.204768	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+ACN+Na"	64.015768
"1713316"	634.228293	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+NH4+HCOOH"	64.039293
"1178914"	213.052218	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+3Na"	68.967654
"1652717"	639.183688	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Na+HCOOH"	68.994688
"162857"	1217.29704	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+2K-H"	76.91904
"599378"	1787.48604	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+2K-H"	76.91904
"1090210"	647.10804	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2K-H"	76.91904
"145567"	609.152158	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"2M+2K"	77.926316
"584763"	894.246658	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"3M+2K"	77.926316
"1073288"	324.057658	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2K"	77.926316
"1105402"	649.122592	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2K+H"	78.933592
"1338510"	649.210207	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+DMSO+H"	79.021207
"1008135"	653.249376	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2ACN+H"	83.060376
"1529540"	654.243008	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+IsoProp+Na+H"	84.054008
"997083"	327.128326	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+2ACN+2H"	84.067652
"1589400"	655.157628	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+K+HCOOH"	84.968628
"1415180"	685.189138	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+H+CF3COOH"	115.000138
"1148628"	347.641601	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+3ACN+2H"	125.094202
"1701465"	702.215685	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+NH4+CF3COOH"	132.026685
"1642585"	707.17108	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+Na+CF3COOH"	136.98208
"1580424"	723.14502	"C17870"	"Sanggenon B"	"C33H30O9"	"570.189"	"M+K+CF3COOH"	152.95602
"810789"	776.2833	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M"	0
"975937"	757.26491	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-H2O-H"	-19.01839
"74751"	516.514924	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M-3H"	-3.021828
"508844"	775.276024	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M-3H"	-3.021828
"882270"	257.753824	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-3H"	-3.021828
"2301"	775.276024	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M-2H"	-2.014552
"442586"	1163.417674	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M-2H"	-2.014552
"817840"	387.134374	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-2H"	-2.014552
"79046"	1551.559324	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M-H"	-1.007276
"519577"	2327.842624	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M-H"	-1.007276
"896777"	775.276024	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-H"	-1.007276
"49329"	1568.585871	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M-2H+NH4"	16.019271
"489497"	2344.869171	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M-2H+NH4"	16.019271
"867299"	792.302571	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-2H+NH4"	16.019271
"34106"	1573.541266	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M-2H+Na"	20.974666
"473666"	2349.824566	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M-2H+Na"	20.974666
"849526"	797.257966	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-2H+Na"	20.974666
"1622098"	797.257966	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Na-2H"	20.974666
"98627"	793.264363	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M-H+Cl"	33.962126
"537093"	1181.406013	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M-H+Cl"	33.962126
"927567"	405.122713	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-H+Cl"	33.962126
"271354"	1587.536002	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+Cl"	34.969402
"662680"	2363.819302	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+Cl"	34.969402
"1273741"	811.252702	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Cl"	34.969402
"18731"	1589.515206	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M-2H+K"	36.948606
"461572"	2365.798506	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M-2H+K"	36.948606
"833659"	813.231906	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-2H+K"	36.948606
"1556301"	813.231906	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+K-2H"	36.948606
"948557"	821.281494	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-H+HCOOH"	44.998194
"364586"	1597.564801	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+HCOOH-H"	44.998201
"355032"	1611.580451	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+Hac-H"	59.013851
"1497304"	835.297151	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Hac-H"	59.013851
"963751"	843.263451	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-H+NaCOOH"	66.980151
"111926"	811.252702	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+2Cl"	69.938804
"550276"	1199.394352	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+2Cl"	69.938804
"1021869"	423.111052	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2Cl"	69.938804
"1241404"	855.202185	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Br"	78.918885
"1304631"	857.258172	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Cl+HCOOH"	80.974872
"1320054"	879.240129	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Cl+NaCOOH"	102.956829
"911850"	889.268886	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M-H+CF3COOH"	112.985586
"1288468"	925.245564	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Cl+CF3COOH"	148.962264
"1367066"	741.270624	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H-2H2O"	-35.012676
"1383043"	759.2806	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H-H2O"	-17.0027
"283248"	1553.573876	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+H"	1.007276
"675962"	2329.857176	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+H"	1.007276
"1351942"	777.290576	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H"	1.007276
"125926"	777.290576	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+2H"	2.014552
"566095"	1165.432226	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+2H"	2.014552
"1037327"	389.148926	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2H"	2.014552
"206326"	518.529476	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+3H"	3.021828
"645154"	777.290576	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+3H"	3.021828
"1163401"	259.768376	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+3H"	3.021828
"425820"	1570.600423	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+NH4"	18.033823
"788638"	2346.883723	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+NH4"	18.033823
"1683147"	794.317123	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+NH4"	18.033823
"334342"	785.8038495	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+H+NH4"	19.041099
"726399"	1173.9454995	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+H+NH4"	19.041099
"1477914"	397.6621995	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H+NH4"	19.041099
"393802"	1575.555818	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+Na"	22.989218
"756257"	2351.839118	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+Na"	22.989218
"1603746"	799.272518	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Na"	22.989218
"315491"	788.281547	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+H+Na"	23.996494
"710101"	1176.423197	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+H+Na"	23.996494
"1469391"	400.139897	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H+Na"	23.996494
"1058266"	267.09569	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2H+Na"	25.00377
"1263223"	809.316786	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+CH3OH+H"	33.033486
"387269"	1591.529758	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+K"	38.963158
"749360"	2367.813058	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+K"	38.963158
"1545945"	815.246458	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+K"	38.963158
"306402"	796.268517	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+H+K"	39.970434
"701012"	1184.410167	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+H+K"	39.970434
"1452644"	408.126867	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H+K"	39.970434
"245619"	1594.600426	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+ACN+H"	42.033826
"1211889"	818.317126	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+ACN+H"	42.033826
"1196382"	409.662201	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+ACN+2H"	43.041102
"191440"	1597.53776	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+2Na-H"	44.97116
"635010"	2373.82106	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+2Na-H"	44.97116
"1138154"	821.25446	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2Na-H"	44.97116
"178525"	799.272518	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+2Na"	45.978436
"618452"	1187.414168	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+2Na"	45.978436
"1120863"	411.130868	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2Na"	45.978436
"1402201"	274.423004	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H+2Na"	46.985712
"1439056"	823.296046	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H+HCOOH"	47.012746
"224377"	804.30554	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+3H2O+2H"	56.04448
"1515720"	837.34809	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+IsoProp+H"	61.06479
"408755"	807.259488	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+Na+K"	61.952376
"770161"	1195.401138	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+Na+K"	61.952376
"1665641"	419.117838	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Na+K"	61.952376
"252817"	1616.582368	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+ACN+Na"	64.015768
"1225921"	840.299068	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+ACN+Na"	64.015768
"1713907"	840.322593	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+NH4+HCOOH"	64.039293
"1179261"	281.750318	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+3Na"	68.967654
"1653554"	845.277988	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Na+HCOOH"	68.994688
"162967"	1629.48564	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+2K-H"	76.91904
"599610"	2405.76894	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+2K-H"	76.91904
"1087768"	853.20234	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2K-H"	76.91904
"143490"	815.246458	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"2M+2K"	77.926316
"584506"	1203.388108	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"3M+2K"	77.926316
"1072304"	427.104808	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2K"	77.926316
"1105510"	855.216892	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2K+H"	78.933592
"1338620"	855.304507	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+DMSO+H"	79.021207
"1007394"	859.343676	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2ACN+H"	83.060376
"1528556"	860.337308	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+IsoProp+Na+H"	84.054008
"992819"	430.175476	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+2ACN+2H"	84.067652
"1587359"	861.251928	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+K+HCOOH"	84.968628
"1414478"	891.283438	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+H+CF3COOH"	115.000138
"1147230"	450.688751	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+3ACN+2H"	125.094202
"1699023"	908.309985	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+NH4+CF3COOH"	132.026685
"1639415"	913.26538	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+Na+CF3COOH"	136.98208
"1580534"	929.23932	"C17871"	"Sanggenon E"	"C45H44O12"	"776.2833"	"M+K+CF3COOH"	152.95602
"810899"	366.1943	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M"	0
"982244"	347.17591	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-H2O-H"	-19.01839
"76685"	243.122257333333	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M-3H"	-3.021828
"516609"	365.187024	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M-3H"	-3.021828
"882381"	121.057490666667	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-3H"	-3.021828
"4235"	365.187024	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M-2H"	-2.014552
"445981"	548.284174	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M-2H"	-2.014552
"820506"	182.089874	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-2H"	-2.014552
"80862"	731.381324	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M-H"	-1.007276
"524432"	1097.575624	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M-H"	-1.007276
"900048"	365.187024	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-H"	-1.007276
"49440"	748.407871	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M-2H+NH4"	16.019271
"488756"	1114.602171	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M-2H+NH4"	16.019271
"876157"	382.213571	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-2H+NH4"	16.019271
"40777"	753.363266	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M-2H+Na"	20.974666
"481431"	1119.557566	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M-2H+Na"	20.974666
"849878"	387.168966	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-2H+Na"	20.974666
"1621479"	387.168966	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Na-2H"	20.974666
"102018"	383.175363	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M-H+Cl"	33.962126
"541577"	566.272513	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M-H+Cl"	33.962126
"928653"	200.078213	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-H+Cl"	33.962126
"271464"	767.358002	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+Cl"	34.969402
"666071"	1133.552302	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+Cl"	34.969402
"1273489"	401.163702	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Cl"	34.969402
"16655"	769.337206	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M-2H+K"	36.948606
"460590"	1135.531506	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M-2H+K"	36.948606
"834380"	403.142906	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-2H+K"	36.948606
"1556412"	403.142906	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+K-2H"	36.948606
"948668"	411.192494	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-H+HCOOH"	44.998194
"366883"	777.386801	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+HCOOH-H"	44.998201
"360934"	791.402451	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+Hac-H"	59.013851
"1498507"	425.208151	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Hac-H"	59.013851
"963861"	433.174451	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-H+NaCOOH"	66.980151
"110583"	401.163702	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+2Cl"	69.938804
"550265"	584.260852	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+2Cl"	69.938804
"1022222"	218.066552	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2Cl"	69.938804
"1242164"	445.113185	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Br"	78.918885
"1305717"	447.169172	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Cl+HCOOH"	80.974872
"1320047"	469.151129	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Cl+NaCOOH"	102.956829
"912573"	479.179886	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M-H+CF3COOH"	112.985586
"1290619"	515.156564	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Cl+CF3COOH"	148.962264
"1367070"	331.181624	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H-2H2O"	-35.012676
"1382989"	349.1916	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H-H2O"	-17.0027
"282992"	733.395876	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+H"	1.007276
"675702"	1099.590176	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+H"	1.007276
"1351483"	367.201576	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H"	1.007276
"126162"	367.201576	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+2H"	2.014552
"565699"	550.298726	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+2H"	2.014552
"1037135"	184.104426	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2H"	2.014552
"206437"	245.136809333333	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+3H"	3.021828
"644656"	367.201576	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+3H"	3.021828
"1162796"	123.072042666667	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+3H"	3.021828
"426296"	750.422423	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+NH4"	18.033823
"786925"	1116.616723	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+NH4"	18.033823
"1683257"	384.228123	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+NH4"	18.033823
"332995"	375.7148495	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+H+NH4"	19.041099
"727240"	558.8119995	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+H+NH4"	19.041099
"1478879"	192.6176995	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H+NH4"	19.041099
"394279"	755.377818	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+Na"	22.989218
"754666"	1121.572118	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+Na"	22.989218
"1602965"	389.183518	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Na"	22.989218
"318153"	378.192547	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+H+Na"	23.996494
"710575"	561.289697	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+H+Na"	23.996494
"1467313"	195.095397	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H+Na"	23.996494
"1060563"	130.399356666667	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2H+Na"	25.00377
"1261147"	399.227786	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+CH3OH+H"	33.033486
"386286"	771.351758	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+K"	38.963158
"749471"	1137.546058	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+K"	38.963158
"1550430"	405.157458	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+K"	38.963158
"309793"	386.179517	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+H+K"	39.970434
"703307"	569.276667	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+H+K"	39.970434
"1456035"	203.082367	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H+K"	39.970434
"249012"	774.422426	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+ACN+H"	42.033826
"1217347"	408.228126	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+ACN+H"	42.033826
"1200501"	204.617701	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+ACN+2H"	43.041102
"195560"	777.35976	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+2Na-H"	44.97116
"640227"	1143.55406	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+2Na-H"	44.97116
"1139358"	411.16546	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2Na-H"	44.97116
"176818"	389.183518	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+2Na"	45.978436
"615283"	572.280668	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+2Na"	45.978436
"1121342"	206.086368	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2Na"	45.978436
"1400127"	137.726670666667	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H+2Na"	46.985712
"1433336"	413.207046	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H+HCOOH"	47.012746
"225584"	394.21654	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+3H2O+2H"	56.04448
"1515833"	427.25909	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+H"	61.06479
"409075"	397.170488	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+Na+K"	61.952376
"771036"	580.267638	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+Na+K"	61.952376
"1666153"	214.073338	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Na+K"	61.952376
"253534"	796.404368	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+ACN+Na"	64.015768
"1226113"	430.210068	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+ACN+Na"	64.015768
"1715127"	430.233593	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+NH4+HCOOH"	64.039293
"1180117"	145.053984666667	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+3Na"	68.967654
"1652931"	435.188988	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Na+HCOOH"	68.994688
"163078"	809.30764	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+2K-H"	76.91904
"600814"	1175.50194	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+2K-H"	76.91904
"1095899"	443.11334	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2K-H"	76.91904
"148341"	405.157458	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"2M+2K"	77.926316
"588995"	588.254608	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"3M+2K"	77.926316
"1075696"	222.060308	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2K"	77.926316
"1108905"	445.127892	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2K+H"	78.933592
"1344198"	445.215507	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+DMSO+H"	79.021207
"1007623"	449.254676	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2ACN+H"	83.060376
"1525627"	450.248308	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+IsoProp+Na+H"	84.054008
"997301"	225.130976	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+2ACN+2H"	84.067652
"1588526"	451.162928	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+K+HCOOH"	84.968628
"1418559"	481.194438	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+H+CF3COOH"	115.000138
"1147389"	245.644251	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+3ACN+2H"	125.094202
"1697345"	498.220985	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+NH4+CF3COOH"	132.026685
"1639525"	503.17638	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+Na+CF3COOH"	136.98208
"1580644"	519.15032	"C17872"	"Corynantheine"	"C22H26N2O3"	"366.1943"	"M+K+CF3COOH"	152.95602
"811009"	384.3603	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M"	0
"981260"	365.34191	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-H2O-H"	-19.01839
"78393"	255.232924	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M-3H"	-3.021828
"511251"	383.353024	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M-3H"	-3.021828
"885772"	127.112824	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-3H"	-3.021828
"1063"	383.353024	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M-2H"	-2.014552
"440623"	575.533174	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M-2H"	-2.014552
"819887"	191.172874	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-2H"	-2.014552
"80972"	767.713324	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M-H"	-1.007276
"524542"	1152.073624	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M-H"	-1.007276
"898335"	383.353024	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-H"	-1.007276
"49065"	784.739871	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M-2H+NH4"	16.019271
"488624"	1169.100171	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M-2H+NH4"	16.019271
"875539"	400.379571	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-2H+NH4"	16.019271
"40887"	789.695266	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M-2H+Na"	20.974666
"481541"	1174.055566	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M-2H+Na"	20.974666
"849867"	405.334966	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-2H+Na"	20.974666
"1619036"	405.334966	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Na-2H"	20.974666
"97753"	401.341363	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M-H+Cl"	33.962126
"541687"	593.521513	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M-H+Cl"	33.962126
"928156"	209.161213	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-H+Cl"	33.962126
"272668"	803.690002	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+Cl"	34.969402
"663265"	1188.050302	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+Cl"	34.969402
"1273639"	419.329702	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Cl"	34.969402
"16560"	805.669206	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M-2H+K"	36.948606
"458513"	1190.029506	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M-2H+K"	36.948606
"834122"	421.308906	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-2H+K"	36.948606
"1556277"	421.308906	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+K-2H"	36.948606
"944404"	429.358494	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-H+HCOOH"	44.998194
"364806"	813.718801	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+HCOOH-H"	44.998201
"358532"	827.734451	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+Hac-H"	59.013851
"1498617"	443.374151	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Hac-H"	59.013851
"963972"	451.340451	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-H+NaCOOH"	66.980151
"111058"	419.329702	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+2Cl"	69.938804
"551105"	611.509852	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+2Cl"	69.938804
"1021967"	227.149552	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2Cl"	69.938804
"1241954"	463.279185	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Br"	78.918885
"1305341"	465.335172	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Cl+HCOOH"	80.974872
"1320039"	487.317129	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Cl+NaCOOH"	102.956829
"915116"	497.345886	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M-H+CF3COOH"	112.985586
"1292917"	533.322564	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Cl+CF3COOH"	148.962264
"1367098"	349.347624	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H-2H2O"	-35.012676
"1383827"	367.3576	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H-H2O"	-17.0027
"282985"	769.727876	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+H"	1.007276
"675806"	1154.088176	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+H"	1.007276
"1351425"	385.367576	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H"	1.007276
"126067"	385.367576	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+2H"	2.014552
"565861"	577.547726	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+2H"	2.014552
"1037418"	193.187426	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2H"	2.014552
"204711"	257.247476	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+3H"	3.021828
"645610"	385.367576	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+3H"	3.021828
"1163047"	129.127376	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+3H"	3.021828
"425187"	786.754423	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+NH4"	18.033823
"786179"	1171.114723	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+NH4"	18.033823
"1681542"	402.394123	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+NH4"	18.033823
"331282"	393.8808495	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+H+NH4"	19.041099
"723700"	586.0609995	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+H+NH4"	19.041099
"1477243"	201.7006995	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H+NH4"	19.041099
"393416"	791.709818	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+Na"	22.989218
"754635"	1176.070118	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+Na"	22.989218
"1603604"	407.349518	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Na"	22.989218
"317899"	396.358547	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+H+Na"	23.996494
"710683"	588.538697	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+H+Na"	23.996494
"1467419"	204.178397	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H+Na"	23.996494
"1057757"	136.45469	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2H+Na"	25.00377
"1261257"	417.393786	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+CH3OH+H"	33.033486
"386396"	807.683758	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+K"	38.963158
"748488"	1192.044058	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+K"	38.963158
"1549447"	423.323458	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+K"	38.963158
"307717"	404.345517	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+H+K"	39.970434
"702324"	596.525667	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+H+K"	39.970434
"1455051"	212.165367	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H+K"	39.970434
"248027"	810.754426	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+ACN+H"	42.033826
"1215635"	426.394126	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+ACN+H"	42.033826
"1199518"	213.700701	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+ACN+2H"	43.041102
"192754"	813.69176	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+2Na-H"	44.97116
"639973"	1198.05206	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+2Na-H"	44.97116
"1139102"	429.33146	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2Na-H"	44.97116
"176928"	407.349518	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+2Na"	45.978436
"614300"	599.529668	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+2Na"	45.978436
"1121814"	215.169368	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2Na"	45.978436
"1401695"	143.782004	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H+2Na"	46.985712
"1436000"	431.373046	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H+HCOOH"	47.012746
"227881"	412.38254	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+3H2O+2H"	56.04448
"1515943"	445.42509	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+IsoProp+H"	61.06479
"408698"	415.336488	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+Na+K"	61.952376
"770009"	607.516638	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+Na+K"	61.952376
"1666017"	223.156338	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Na+K"	61.952376
"253644"	832.736368	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+ACN+Na"	64.015768
"1225691"	448.376068	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+ACN+Na"	64.015768
"1714145"	448.399593	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+NH4+HCOOH"	64.039293
"1178889"	151.109318	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+3Na"	68.967654
"1651219"	453.354988	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Na+HCOOH"	68.994688
"163188"	845.63964	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+2K-H"	76.91904
"599831"	1229.99994	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+2K-H"	76.91904
"1090176"	461.27934	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2K-H"	76.91904
"148451"	423.323458	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"2M+2K"	77.926316
"583637"	615.503608	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"3M+2K"	77.926316
"1075806"	231.143308	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2K"	77.926316
"1106827"	463.293892	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2K+H"	78.933592
"1344308"	463.381507	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+DMSO+H"	79.021207
"1007490"	467.420676	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2ACN+H"	83.060376
"1526588"	468.414308	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+IsoProp+Na+H"	84.054008
"997411"	234.213976	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+2ACN+2H"	84.067652
"1587783"	469.328928	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+K+HCOOH"	84.968628
"1416482"	499.360438	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+H+CF3COOH"	115.000138
"1147620"	254.727251	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+3ACN+2H"	125.094202
"1698147"	516.386985	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+NH4+CF3COOH"	132.026685
"1639635"	521.34238	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+Na+CF3COOH"	136.98208
"1580754"	537.31632	"C17873"	"2-Hydroxytetracosanoic acid"	"C24H48O3"	"384.3603"	"M+K+CF3COOH"	152.95602
"811119"	354.158	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M"	0
"978090"	335.13961	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-H2O-H"	-19.01839
"78123"	235.098057333333	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M-3H"	-3.021828
"511361"	353.150724	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M-3H"	-3.021828
"885882"	117.045390666667	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-3H"	-3.021828
"1175"	353.150724	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M-2H"	-2.014552
"441098"	530.229724	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M-2H"	-2.014552
"819633"	176.071724	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-2H"	-2.014552
"80718"	707.308724	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M-H"	-1.007276
"526839"	1061.466724	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M-H"	-1.007276
"898081"	353.150724	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-H"	-1.007276
"49175"	724.335271	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M-2H+NH4"	16.019271
"489827"	1078.493271	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M-2H+NH4"	16.019271
"874556"	370.177271	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-2H+NH4"	16.019271
"40997"	729.290666	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M-2H+Na"	20.974666
"481287"	1083.448666	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M-2H+Na"	20.974666
"852894"	375.132666	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-2H+Na"	20.974666
"1623522"	375.132666	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Na-2H"	20.974666
"96770"	371.139063	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M-H+Cl"	33.962126
"541798"	548.218063	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M-H+Cl"	33.962126
"927497"	194.060063	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-H+Cl"	33.962126
"272049"	743.285402	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+Cl"	34.969402
"663376"	1097.443402	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+Cl"	34.969402
"1277600"	389.127402	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Cl"	34.969402
"16509"	745.264606	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M-2H+K"	36.948606
"458624"	1099.422606	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M-2H+K"	36.948606
"833992"	391.106606	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-2H+K"	36.948606
"1557360"	391.106606	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+K-2H"	36.948606
"947796"	399.156194	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-H+HCOOH"	44.998194
"365281"	753.314201	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+HCOOH-H"	44.998201
"358642"	767.329851	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+Hac-H"	59.013851
"1498728"	413.171851	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Hac-H"	59.013851
"965176"	421.138151	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-H+NaCOOH"	66.980151
"111167"	389.127402	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+2Cl"	69.938804
"551457"	566.206402	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+2Cl"	69.938804
"1022685"	212.048402	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2Cl"	69.938804
"1241425"	433.076885	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Br"	78.918885
"1306667"	435.132872	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Cl+HCOOH"	80.974872
"1319923"	457.114829	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Cl+NaCOOH"	102.956829
"915227"	467.143586	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M-H+CF3COOH"	112.985586
"1293028"	503.120264	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Cl+CF3COOH"	148.962264
"1368268"	319.145324	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H-2H2O"	-35.012676
"1382969"	337.1553	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H-H2O"	-17.0027
"283021"	709.323276	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+H"	1.007276
"675742"	1063.481276	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+H"	1.007276
"1351991"	355.165276	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H"	1.007276
"125939"	355.165276	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+2H"	2.014552
"566137"	532.244276	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+2H"	2.014552
"1037186"	178.086276	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2H"	2.014552
"204402"	237.112609333333	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+3H"	3.021828
"645109"	355.165276	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+3H"	3.021828
"1163484"	119.059942666667	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+3H"	3.021828
"425298"	726.349823	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+NH4"	18.033823
"786410"	1080.507823	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+NH4"	18.033823
"1682261"	372.191823	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+NH4"	18.033823
"331390"	363.6785495	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+H+NH4"	19.041099
"723810"	540.7575495	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+H+NH4"	19.041099
"1480194"	186.5995495	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H+NH4"	19.041099
"394498"	731.305218	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+Na"	22.989218
"754507"	1085.463218	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+Na"	22.989218
"1604686"	377.147218	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Na"	22.989218
"319102"	366.156247	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+H+Na"	23.996494
"710066"	543.235247	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+H+Na"	23.996494
"1464616"	189.077247	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H+Na"	23.996494
"1058596"	126.387256666667	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2H+Na"	25.00377
"1261366"	387.191486	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+CH3OH+H"	33.033486
"384313"	747.279158	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+K"	38.963158
"748598"	1101.437158	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+K"	38.963158
"1548464"	393.121158	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+K"	38.963158
"306733"	374.143217	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+H+K"	39.970434
"699156"	551.222217	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+H+K"	39.970434
"1455161"	197.064217	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H+K"	39.970434
"244855"	750.349826	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+ACN+H"	42.033826
"1216474"	396.191826	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+ACN+H"	42.033826
"1199263"	198.599551	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+ACN+2H"	43.041102
"192133"	753.28716	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+2Na-H"	44.97116
"636435"	1107.44516	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+2Na-H"	44.97116
"1139212"	399.12916	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2Na-H"	44.97116
"173999"	377.147218	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+2Na"	45.978436
"614411"	554.226218	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+2Na"	45.978436
"1121560"	200.068218	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2Na"	45.978436
"1406181"	133.714570666667	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H+2Na"	46.985712
"1434287"	401.170746	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H+HCOOH"	47.012746
"225804"	382.18024	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+3H2O+2H"	56.04448
"1516054"	415.22279	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+IsoProp+H"	61.06479
"408846"	385.134188	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+Na+K"	61.952376
"770242"	562.213188	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+Na+K"	61.952376
"1665597"	208.055188	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Na+K"	61.952376
"253026"	772.331768	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+ACN+Na"	64.015768
"1225775"	418.173768	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+ACN+Na"	64.015768
"1713891"	418.197293	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+NH4+HCOOH"	64.039293
"1179285"	141.041884666667	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+3Na"	68.967654
"1652058"	423.152688	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Na+HCOOH"	68.994688
"157826"	785.23504	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+2K-H"	76.91904
"599941"	1139.39304	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+2K-H"	76.91904
"1087735"	431.07704	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2K-H"	76.91904
"148561"	393.121158	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"2M+2K"	77.926316
"585933"	570.200158	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"3M+2K"	77.926316
"1073726"	216.042158	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2K"	77.926316
"1104751"	433.091592	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2K+H"	78.933592
"1344417"	433.179207	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+DMSO+H"	79.021207
"1016225"	437.218376	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2ACN+H"	83.060376
"1525726"	438.212008	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+IsoProp+Na+H"	84.054008
"993147"	219.112826	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+2ACN+2H"	84.067652
"1587892"	439.126628	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+K+HCOOH"	84.968628
"1417685"	469.158138	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+H+CF3COOH"	115.000138
"1147118"	239.626101	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+3ACN+2H"	125.094202
"1697650"	486.184685	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+NH4+CF3COOH"	132.026685
"1639745"	491.14008	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+Na+CF3COOH"	136.98208
"1580864"	507.11402	"C17874"	"Uncaric acid A"	"C20H22N2O4"	"354.158"	"M+K+CF3COOH"	152.95602
"811229"	192.115	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M"	0
"981480"	173.09661	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-H2O-H"	-19.01839
"77378"	127.069390666667	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M-3H"	-3.021828
"511471"	191.107724	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M-3H"	-3.021828
"885992"	63.0310573333333	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-3H"	-3.021828
"3471"	191.107724	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M-2H"	-2.014552
"441937"	287.165224	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M-2H"	-2.014552
"825211"	95.050224	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-2H"	-2.014552
"85202"	383.222724	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M-H"	-1.007276
"523669"	575.337724	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M-H"	-1.007276
"902566"	191.107724	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-H"	-1.007276
"51473"	400.249271	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M-2H+NH4"	16.019271
"489938"	592.364271	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M-2H+NH4"	16.019271
"873208"	208.134271	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-2H+NH4"	16.019271
"37828"	405.204666	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M-2H+Na"	20.974666
"478482"	597.319666	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M-2H+Na"	20.974666
"853005"	213.089666	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-2H+Na"	20.974666
"1624725"	213.089666	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Na-2H"	20.974666
"103442"	209.096063	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M-H+Cl"	33.962126
"544096"	305.153563	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M-H+Cl"	33.962126
"934328"	113.038563	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-H+Cl"	33.962126
"271794"	419.199402	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+Cl"	34.969402
"663121"	611.314402	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+Cl"	34.969402
"1276617"	227.084402	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Cl"	34.969402
"20267"	421.178606	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M-2H+K"	36.948606
"458006"	613.293606	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M-2H+K"	36.948606
"836535"	229.063606	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-2H+K"	36.948606
"1559657"	229.063606	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+K-2H"	36.948606
"945717"	237.113194	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-H+HCOOH"	44.998194
"368308"	429.228201	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+HCOOH-H"	44.998201
"359846"	443.243851	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+Hac-H"	59.013851
"1497745"	251.128851	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Hac-H"	59.013851
"963463"	259.095151	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-H+NaCOOH"	66.980151
"114193"	227.084402	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+2Cl"	69.938804
"551204"	323.141902	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+2Cl"	69.938804
"1021703"	131.026902	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2Cl"	69.938804
"1241769"	271.033885	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Br"	78.918885
"1307871"	273.089872	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Cl+HCOOH"	80.974872
"1322084"	295.071829	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Cl+NaCOOH"	102.956829
"917524"	305.100586	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M-H+CF3COOH"	112.985586
"1296418"	341.077264	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Cl+CF3COOH"	148.962264
"1369112"	157.102324	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H-2H2O"	-35.012676
"1385879"	175.1123	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H-H2O"	-17.0027
"286295"	385.237276	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+H"	1.007276
"675922"	577.352276	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+H"	1.007276
"1353001"	193.122276	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H"	1.007276
"126496"	193.122276	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+2H"	2.014552
"568608"	289.179776	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+2H"	2.014552
"1037526"	97.064776	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2H"	2.014552
"207494"	129.083942666667	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+3H"	3.021828
"645715"	193.122276	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+3H"	3.021828
"1163722"	65.0456093333333	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+3H"	3.021828
"425529"	402.263823	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+NH4"	18.033823
"786889"	594.378823	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+NH4"	18.033823
"1681887"	210.148823	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+NH4"	18.033823
"335148"	201.6355495	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+H+NH4"	19.041099
"725745"	297.6930495	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+H+NH4"	19.041099
"1480304"	105.5780495	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H+NH4"	19.041099
"394240"	407.219218	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+Na"	22.989218
"755594"	599.334218	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+Na"	22.989218
"1604188"	215.104218	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Na"	22.989218
"320305"	204.113247	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+H+Na"	23.996494
"711269"	300.170747	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+H+Na"	23.996494
"1468002"	108.055747	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H+Na"	23.996494
"1059797"	72.3729233333333	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2H+Na"	25.00377
"1260377"	225.148486	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+CH3OH+H"	33.033486
"384424"	423.193158	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+K"	38.963158
"745427"	615.308158	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+K"	38.963158
"1546385"	231.078158	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+K"	38.963158
"306843"	212.100217	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+H+K"	39.970434
"700358"	308.157717	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+H+K"	39.970434
"1454177"	116.042717	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H+K"	39.970434
"243871"	426.263826	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+ACN+H"	42.033826
"1214397"	234.148826	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+ACN+H"	42.033826
"1194999"	117.578051	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+ACN+2H"	43.041102
"191150"	429.20116	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+2Na-H"	44.97116
"632170"	621.31616	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+2Na-H"	44.97116
"1138593"	237.08616	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2Na-H"	44.97116
"180062"	215.104218	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+2Na"	45.978436
"616708"	311.161718	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+2Na"	45.978436
"1122763"	119.046718	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2Na"	45.978436
"1404103"	79.7002373333333	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H+2Na"	46.985712
"1433301"	239.127746	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H+HCOOH"	47.012746
"222632"	220.13724	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+3H2O+2H"	56.04448
"1516164"	253.17979	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+IsoProp+H"	61.06479
"409082"	223.091188	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+Na+K"	61.952376
"770155"	319.148688	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+Na+K"	61.952376
"1665644"	127.033688	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Na+K"	61.952376
"252646"	448.245768	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+ACN+Na"	64.015768
"1225634"	256.130768	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+ACN+Na"	64.015768
"1714000"	256.154293	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+NH4+HCOOH"	64.039293
"1178743"	87.0275513333333	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+3Na"	68.967654
"1653260"	261.109688	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Na+HCOOH"	68.994688
"157449"	461.14904	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+2K-H"	76.91904
"600051"	653.26404	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+2K-H"	76.91904
"1085657"	269.03404	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2K-H"	76.91904
"145391"	231.078158	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"2M+2K"	77.926316
"583128"	327.135658	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"3M+2K"	77.926316
"1069463"	135.020658	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2K"	77.926316
"1102674"	271.048592	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2K+H"	78.933592
"1335735"	271.136207	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+DMSO+H"	79.021207
"1010868"	275.175376	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2ACN+H"	83.060376
"1524742"	276.169008	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+IsoProp+Na+H"	84.054008
"992164"	138.091326	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+2ACN+2H"	84.067652
"1587267"	277.083628	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+K+HCOOH"	84.968628
"1415609"	307.115138	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+H+CF3COOH"	115.000138
"1148447"	158.604601	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+3ACN+2H"	125.094202
"1697639"	324.141685	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+NH4+CF3COOH"	132.026685
"1639855"	329.09708	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+Na+CF3COOH"	136.98208
"1580974"	345.07102	"C17875"	"Sedanonic acid lactone"	"C12H16O2"	"192.115"	"M+K+CF3COOH"	152.95602
"811339"	456.0087	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M"	0
"978310"	436.99031	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-H2O-H"	-19.01839
"74208"	302.998524	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M-3H"	-3.021828
"510488"	455.001424	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M-3H"	-3.021828
"886102"	150.995624	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-3H"	-3.021828
"3581"	455.001424	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M-2H"	-2.014552
"440466"	683.005774	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M-2H"	-2.014552
"823135"	226.997074	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-2H"	-2.014552
"83490"	911.010124	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M-H"	-1.007276
"522686"	1367.018824	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M-H"	-1.007276
"902676"	455.001424	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-H"	-1.007276
"54863"	928.036671	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M-2H+NH4"	16.019271
"494423"	1384.045371	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M-2H+NH4"	16.019271
"867852"	472.027971	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-2H+NH4"	16.019271
"34659"	932.992066	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M-2H+Na"	20.974666
"479687"	1389.000766	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M-2H+Na"	20.974666
"856394"	476.983366	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-2H+Na"	20.974666
"1621555"	476.983366	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Na-2H"	20.974666
"101365"	472.989763	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M-H+Cl"	33.962126
"543111"	700.994113	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M-H+Cl"	33.962126
"934438"	244.985413	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-H+Cl"	33.962126
"270081"	946.986802	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+Cl"	34.969402
"665418"	1402.995502	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+Cl"	34.969402
"1278914"	490.978102	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Cl"	34.969402
"20741"	948.966006	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M-2H+K"	36.948606
"459938"	1404.974706	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M-2H+K"	36.948606
"837010"	492.957306	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-2H+K"	36.948606
"1562320"	492.957306	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+K-2H"	36.948606
"944371"	501.006894	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-H+HCOOH"	44.998194
"370606"	957.015601	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+HCOOH-H"	44.998201
"357770"	971.031251	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+Hac-H"	59.013851
"1496032"	515.022551	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Hac-H"	59.013851
"963208"	522.988851	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-H+NaCOOH"	66.980151
"112481"	490.978102	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+2Cl"	69.938804
"551314"	718.982452	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+2Cl"	69.938804
"1022660"	262.973752	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2Cl"	69.938804
"1242730"	534.927585	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Br"	78.918885
"1305060"	536.983572	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Cl+HCOOH"	80.974872
"1320244"	558.965529	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Cl+NaCOOH"	102.956829
"918725"	568.994286	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M-H+CF3COOH"	112.985586
"1299808"	604.970964	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Cl+CF3COOH"	148.962264
"1379063"	420.996024	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H-2H2O"	-35.012676
"1386716"	439.006	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H-H2O"	-17.0027
"289685"	913.024676	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+H"	1.007276
"678099"	1369.033376	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+H"	1.007276
"1353354"	457.015976	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H"	1.007276
"126971"	457.015976	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+2H"	2.014552
"569812"	685.020326	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+2H"	2.014552
"1038244"	229.011626	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2H"	2.014552
"205657"	305.013076	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+3H"	3.021828
"647164"	457.015976	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+3H"	3.021828
"1163831"	153.010176	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+3H"	3.021828
"424670"	930.051223	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+NH4"	18.033823
"786273"	1386.059923	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+NH4"	18.033823
"1682971"	474.042523	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+NH4"	18.033823
"337444"	465.5292495	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+H+NH4"	19.041099
"730959"	693.5335995	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+H+NH4"	19.041099
"1479321"	237.5248995	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H+NH4"	19.041099
"393135"	935.006618	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+Na"	22.989218
"754976"	1391.015318	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+Na"	22.989218
"1603448"	478.997918	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Na"	22.989218
"320414"	468.006947	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+H+Na"	23.996494
"711743"	696.011297	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+H+Na"	23.996494
"1463740"	240.002597	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H+Na"	23.996494
"1057721"	160.33749	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2H+Na"	25.00377
"1259394"	489.042186	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+CH3OH+H"	33.033486
"382348"	950.980558	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+K"	38.963158
"746630"	1406.989258	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+K"	38.963158
"1548681"	494.971858	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+K"	38.963158
"308046"	475.993917	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+H+K"	39.970434
"700468"	703.998267	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+H+K"	39.970434
"1451007"	247.989567	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H+K"	39.970434
"242888"	954.051226	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+ACN+H"	42.033826
"1214505"	498.042526	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+ACN+H"	42.033826
"1196203"	249.524901	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+ACN+2H"	43.041102
"191259"	956.98856	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+2Na-H"	44.97116
"634467"	1412.99726	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+2Na-H"	44.97116
"1134692"	500.97986	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2Na-H"	44.97116
"180174"	478.997918	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+2Na"	45.978436
"615725"	707.002268	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+2Na"	45.978436
"1117771"	250.993568	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2Na"	45.978436
"1402753"	167.664804	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H+2Na"	46.985712
"1432319"	503.021446	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H+HCOOH"	47.012746
"223471"	484.03094	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+3H2O+2H"	56.04448
"1511899"	517.07349	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+IsoProp+H"	61.06479
"408780"	486.984888	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+Na+K"	61.952376
"770094"	714.989238	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+Na+K"	61.952376
"1665985"	258.980538	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Na+K"	61.952376
"251455"	976.033168	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+ACN+Na"	64.015768
"1225660"	520.024468	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+ACN+Na"	64.015768
"1713139"	520.047993	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+NH4+HCOOH"	64.039293
"1178479"	174.992118	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+3Na"	68.967654
"1650209"	525.003388	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Na+HCOOH"	68.994688
"157208"	988.93644	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+2K-H"	76.91904
"597189"	1444.94514	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+2K-H"	76.91904
"1084223"	532.92774	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2K-H"	76.91904
"142949"	494.971858	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"2M+2K"	77.926316
"581462"	722.976208	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"3M+2K"	77.926316
"1068715"	266.967508	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2K"	77.926316
"1100230"	534.942292	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2K+H"	78.933592
"1335638"	535.029907	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+DMSO+H"	79.021207
"1009884"	539.069076	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2ACN+H"	83.060376
"1524191"	540.062708	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+IsoProp+Na+H"	84.054008
"990329"	270.038176	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+2ACN+2H"	84.067652
"1587382"	540.977328	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+K+HCOOH"	84.968628
"1415719"	571.008838	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+H+CF3COOH"	115.000138
"1147829"	290.551451	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+3ACN+2H"	125.094202
"1698477"	588.035385	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+NH4+CF3COOH"	132.026685
"1639965"	592.99078	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+Na+CF3COOH"	136.98208
"1581084"	608.96472	"C17877"	"Dioxation"	"C12H26O6P2S4"	"456.0087"	"M+K+CF3COOH"	152.95602
"811449"	188.1049	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M"	0
"978420"	169.08651	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-H2O-H"	-19.01839
"73225"	124.395990666667	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M-3H"	-3.021828
"510598"	187.097624	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M-3H"	-3.021828
"886212"	61.6943573333333	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-3H"	-3.021828
"4785"	187.097624	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M-2H"	-2.014552
"444343"	281.150074	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M-2H"	-2.014552
"822152"	93.045174	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-2H"	-2.014552
"80320"	375.202524	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M-H"	-1.007276
"523161"	563.307424	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M-H"	-1.007276
"901693"	187.097624	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-H"	-1.007276
"58620"	392.229071	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M-2H+NH4"	16.019271
"493440"	580.333971	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M-2H+NH4"	16.019271
"874523"	204.124171	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-2H+NH4"	16.019271
"41331"	397.184466	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M-2H+Na"	20.974666
"482715"	585.289366	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M-2H+Na"	20.974666
"852130"	209.079566	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-2H+Na"	20.974666
"1623852"	209.079566	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Na-2H"	20.974666
"98195"	205.085963	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M-H+Cl"	33.962126
"539942"	299.138413	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M-H+Cl"	33.962126
"934548"	111.033513	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-H+Cl"	33.962126
"268853"	411.179202	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+Cl"	34.969402
"662612"	599.284102	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+Cl"	34.969402
"1275744"	223.074302	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Cl"	34.969402
"19758"	413.158406	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M-2H+K"	36.948606
"457497"	601.263306	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M-2H+K"	36.948606
"836026"	225.053506	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-2H+K"	36.948606
"1560607"	225.053506	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+K-2H"	36.948606
"945570"	233.103094	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-H+HCOOH"	44.998194
"368529"	421.208001	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+HCOOH-H"	44.998201
"357880"	435.223651	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+Hac-H"	59.013851
"1497600"	247.118751	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Hac-H"	59.013851
"964775"	255.085051	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-H+NaCOOH"	66.980151
"113318"	223.074302	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+2Cl"	69.938804
"551789"	317.126752	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+2Cl"	69.938804
"1022772"	129.021852	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2Cl"	69.938804
"1243082"	267.023785	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Br"	78.918885
"1305775"	269.079772	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Cl+HCOOH"	80.974872
"1320595"	291.061729	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Cl+NaCOOH"	102.956829
"916282"	301.090486	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M-H+CF3COOH"	112.985586
"1292625"	337.067164	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Cl+CF3COOH"	148.962264
"1381360"	153.092224	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H-2H2O"	-35.012676
"1392295"	171.1022	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H-H2O"	-17.0027
"293075"	377.217076	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+H"	1.007276
"677845"	565.321976	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+H"	1.007276
"1357474"	189.112176	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H"	1.007276
"130364"	189.112176	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+2H"	2.014552
"573203"	283.164626	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+2H"	2.014552
"1038110"	95.059726	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2H"	2.014552
"205037"	126.410542666667	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+3H"	3.021828
"647274"	189.112176	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+3H"	3.021828
"1164426"	63.7089093333333	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+3H"	3.021828
"426120"	394.243623	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+NH4"	18.033823
"786261"	582.348523	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+NH4"	18.033823
"1685267"	206.138723	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+NH4"	18.033823
"339742"	197.6254495	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+H+NH4"	19.041099
"732163"	291.6778995	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+H+NH4"	19.041099
"1481618"	103.5729995	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H+NH4"	19.041099
"393728"	399.199018	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+Na"	22.989218
"754599"	587.303918	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+Na"	22.989218
"1607568"	211.094118	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Na"	22.989218
"319431"	200.103147	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+H+Na"	23.996494
"711852"	294.155597	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+H+Na"	23.996494
"1466763"	106.050697	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H+Na"	23.996494
"1057832"	71.0362233333333	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2H+Na"	25.00377
"1261692"	221.138386	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+CH3OH+H"	33.033486
"381365"	415.172958	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+K"	38.963158
"746740"	603.277858	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+K"	38.963158
"1548793"	227.068058	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+K"	38.963158
"305969"	208.090117	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+H+K"	39.970434
"700578"	302.142567	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+H+K"	39.970434
"1454397"	114.037667	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H+K"	39.970434
"241904"	418.243626	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+ACN+H"	42.033826
"1218988"	230.138726	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+ACN+H"	42.033826
"1195947"	115.573001	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+ACN+2H"	43.041102
"192462"	421.18096	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+2Na-H"	44.97116
"633117"	609.28586	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+2Na-H"	44.97116
"1133708"	233.07606	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2Na-H"	44.97116
"181013"	211.094118	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+2Na"	45.978436
"614616"	305.146568	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+2Na"	45.978436
"1117881"	117.041668	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2Na"	45.978436
"1404324"	78.3635373333333	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H+2Na"	46.985712
"1436438"	235.117646	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H+HCOOH"	47.012746
"222488"	216.12714	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+3H2O+2H"	56.04448
"1509697"	249.16969	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+IsoProp+H"	61.06479
"409501"	219.081088	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+Na+K"	61.952376
"770860"	313.133538	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+Na+K"	61.952376
"1667552"	125.028638	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Na+K"	61.952376
"252252"	440.225568	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+ACN+Na"	64.015768
"1226786"	252.120668	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+ACN+Na"	64.015768
"1713128"	252.144193	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+NH4+HCOOH"	64.039293
"1178723"	85.6908513333333	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+3Na"	68.967654
"1650195"	257.099588	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Na+HCOOH"	68.994688
"157913"	453.12884	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+2K-H"	76.91904
"597350"	641.23374	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+2K-H"	76.91904
"1084899"	265.02394	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2K-H"	76.91904
"143059"	227.068058	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"2M+2K"	77.926316
"582007"	321.120508	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"3M+2K"	77.926316
"1069071"	133.015608	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2K"	77.926316
"1102894"	267.038492	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2K+H"	78.933592
"1335628"	267.126107	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+DMSO+H"	79.021207
"1011088"	271.165276	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2ACN+H"	83.060376
"1524840"	272.158908	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+IsoProp+Na+H"	84.054008
"992384"	136.086276	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+2ACN+2H"	84.067652
"1592353"	273.073528	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+K+HCOOH"	84.968628
"1414855"	303.105038	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+H+CF3COOH"	115.000138
"1147936"	156.599551	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+3ACN+2H"	125.094202
"1697858"	320.131585	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+NH4+CF3COOH"	132.026685
"1640075"	325.08698	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+Na+CF3COOH"	136.98208
"1581194"	341.06092	"C17878"	"Eucommiol"	"C9H16O4"	"188.1049"	"M+K+CF3COOH"	152.95602
"811559"	266.0691	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M"	0
"978530"	247.05071	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-H2O-H"	-19.01839
"74428"	176.372124	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M-3H"	-3.021828
"508521"	265.061824	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M-3H"	-3.021828
"886322"	87.682424	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-3H"	-3.021828
"4895"	265.061824	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M-2H"	-2.014552
"442268"	398.096374	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M-2H"	-2.014552
"822262"	132.027274	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-2H"	-2.014552
"81523"	531.130924	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M-H"	-1.007276
"522907"	797.200024	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M-H"	-1.007276
"905083"	265.061824	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-H"	-1.007276
"50711"	548.157471	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M-2H+NH4"	16.019271
"493550"	814.226571	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M-2H+NH4"	16.019271
"873540"	282.088371	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-2H+NH4"	16.019271
"40348"	553.112866	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M-2H+Na"	20.974666
"481732"	819.181966	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M-2H+Na"	20.974666
"851147"	287.043766	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-2H+Na"	20.974666
"1621773"	287.043766	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Na-2H"	20.974666
"97210"	283.050163	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M-H+Cl"	33.962126
"540051"	416.084713	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M-H+Cl"	33.962126
"929918"	150.015613	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-H+Cl"	33.962126
"271030"	567.107602	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+Cl"	34.969402
"661628"	833.176702	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+Cl"	34.969402
"1276218"	301.038502	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Cl"	34.969402
"16952"	569.086806	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M-2H+K"	36.948606
"457242"	835.155906	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M-2H+K"	36.948606
"835042"	303.017706	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-2H+K"	36.948606
"1559260"	303.017706	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+K-2H"	36.948606
"944589"	311.067294	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-H+HCOOH"	44.998194
"365359"	577.136401	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+HCOOH-H"	44.998201
"356896"	591.152051	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+Hac-H"	59.013851
"1497343"	325.082951	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Hac-H"	59.013851
"963428"	333.049251	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-H+NaCOOH"	66.980151
"113428"	301.038502	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+2Cl"	69.938804
"552259"	434.073052	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+2Cl"	69.938804
"1021908"	168.003952	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2Cl"	69.938804
"1241488"	344.987985	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Br"	78.918885
"1306008"	347.043972	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Cl+HCOOH"	80.974872
"1320342"	369.025929	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Cl+NaCOOH"	102.956829
"912259"	379.054686	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M-H+CF3COOH"	112.985586
"1292371"	415.031364	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Cl+CF3COOH"	148.962264
"1379283"	231.056424	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H-2H2O"	-35.012676
"1389125"	249.0664	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H-H2O"	-17.0027
"289905"	533.145476	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+H"	1.007276
"676738"	799.214576	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+H"	1.007276
"1356490"	267.076376	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H"	1.007276
"129379"	267.076376	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+2H"	2.014552
"567845"	400.110926	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+2H"	2.014552
"1037491"	134.041826	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2H"	2.014552
"205514"	178.386676	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+3H"	3.021828
"646291"	267.076376	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+3H"	3.021828
"1163443"	89.696976	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+3H"	3.021828
"426594"	550.172023	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+NH4"	18.033823
"786494"	816.241123	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+NH4"	18.033823
"1687201"	284.102923	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+NH4"	18.033823
"336572"	275.5896495	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+H+NH4"	19.041099
"728992"	408.6241995	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+H+NH4"	19.041099
"1482821"	142.5550995	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H+NH4"	19.041099
"392931"	555.127418	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+Na"	22.989218
"755684"	821.196518	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+Na"	22.989218
"1607314"	289.058318	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Na"	22.989218
"319541"	278.067347	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+H+Na"	23.996494
"714147"	411.101897	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+H+Na"	23.996494
"1462741"	145.032797	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H+Na"	23.996494
"1054043"	97.02429	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2H+Na"	25.00377
"1262895"	299.102586	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+CH3OH+H"	33.033486
"379645"	571.101358	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+K"	38.963158
"744662"	837.170458	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+K"	38.963158
"1541244"	305.032258	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+K"	38.963158
"309360"	286.054317	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+H+K"	39.970434
"699593"	419.088867	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+H+K"	39.970434
"1455600"	153.019767	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H+K"	39.970434
"243107"	574.172026	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+ACN+H"	42.033826
"1218004"	308.102926	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+ACN+H"	42.033826
"1195813"	154.555101	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+ACN+2H"	43.041102
"193666"	577.10936	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+2Na-H"	44.97116
"635411"	843.17846	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+2Na-H"	44.97116
"1135274"	311.04026	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2Na-H"	44.97116
"181123"	289.058318	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+2Na"	45.978436
"614239"	422.092868	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+2Na"	45.978436
"1116533"	156.023768	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2Na"	45.978436
"1403340"	104.351604	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H+2Na"	46.985712
"1435455"	313.081846	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H+HCOOH"	47.012746
"223327"	294.09134	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+3H2O+2H"	56.04448
"1509442"	327.13389	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+IsoProp+H"	61.06479
"409611"	297.045288	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+Na+K"	61.952376
"770729"	430.079838	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+Na+K"	61.952376
"1666936"	164.010738	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Na+K"	61.952376
"251880"	596.153968	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+ACN+Na"	64.015768
"1226409"	330.084868	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+ACN+Na"	64.015768
"1713836"	330.108393	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+NH4+HCOOH"	64.039293
"1179563"	111.678918	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+3Na"	68.967654
"1651645"	335.063788	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Na+HCOOH"	68.994688
"158384"	609.05724	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+2K-H"	76.91904
"599280"	875.12634	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+2K-H"	76.91904
"1085495"	342.98814	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2K-H"	76.91904
"143169"	305.032258	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"2M+2K"	77.926316
"582357"	438.066808	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"3M+2K"	77.926316
"1069546"	171.997708	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2K"	77.926316
"1103003"	345.002692	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2K+H"	78.933592
"1336222"	345.090307	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+DMSO+H"	79.021207
"1011198"	349.129476	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2ACN+H"	83.060376
"1524947"	350.123108	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+IsoProp+Na+H"	84.054008
"992494"	175.068376	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+2ACN+2H"	84.067652
"1593557"	351.037728	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+K+HCOOH"	84.968628
"1414595"	381.069238	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+H+CF3COOH"	115.000138
"1147803"	195.581651	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+3ACN+2H"	125.094202
"1697604"	398.095785	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+NH4+CF3COOH"	132.026685
"1641278"	403.05118	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+Na+CF3COOH"	136.98208
"1581304"	419.02512	"C17879"	"Nigakinone"	"C15H10N2O3"	"266.0691"	"M+K+CF3COOH"	152.95602
"811669"	480.1062	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M"	0
"979734"	461.08781	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-H2O-H"	-19.01839
"75634"	319.063524	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M-3H"	-3.021828
"508631"	479.098924	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M-3H"	-3.021828
"889714"	159.028124	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-3H"	-3.021828
"3914"	479.098924	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M-2H"	-2.014552
"442011"	719.152024	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M-2H"	-2.014552
"822736"	239.045824	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-2H"	-2.014552
"87831"	959.205124	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M-H"	-1.007276
"524476"	1439.311324	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M-H"	-1.007276
"902277"	479.098924	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-H"	-1.007276
"50090"	976.231671	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M-2H+NH4"	16.019271
"491838"	1456.337871	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M-2H+NH4"	16.019271
"868184"	496.125471	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-2H+NH4"	16.019271
"37177"	981.187066	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M-2H+Na"	20.974666
"480020"	1461.293266	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M-2H+Na"	20.974666
"854537"	501.080866	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-2H+Na"	20.974666
"1621883"	501.080866	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Na-2H"	20.974666
"95860"	497.087263	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M-H+Cl"	33.962126
"537973"	737.140363	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M-H+Cl"	33.962126
"930393"	257.034163	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-H+Cl"	33.962126
"267174"	995.181802	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+Cl"	34.969402
"659964"	1475.288002	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+Cl"	34.969402
"1273038"	515.075602	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Cl"	34.969402
"15918"	997.161006	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M-2H+K"	36.948606
"457353"	1477.267206	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M-2H+K"	36.948606
"840260"	517.054806	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-2H+K"	36.948606
"1560100"	517.054806	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+K-2H"	36.948606
"943244"	525.104394	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-H+HCOOH"	44.998194
"362304"	1005.210601	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+HCOOH-H"	44.998201
"350810"	1019.226251	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+Hac-H"	59.013851
"1494537"	539.120051	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Hac-H"	59.013851
"959891"	547.086351	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-H+NaCOOH"	66.980151
"111355"	515.075602	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+2Cl"	69.938804
"552004"	755.128702	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+2Cl"	69.938804
"1021453"	275.022502	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2Cl"	69.938804
"1241434"	559.025085	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Br"	78.918885
"1313779"	561.081072	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Cl+HCOOH"	80.974872
"1321796"	583.063029	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Cl+NaCOOH"	102.956829
"912491"	593.091786	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M-H+CF3COOH"	112.985586
"1300137"	629.068464	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Cl+CF3COOH"	148.962264
"1379393"	445.093524	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H-2H2O"	-35.012676
"1395795"	463.1035	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H-H2O"	-17.0027
"293295"	961.219676	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+H"	1.007276
"680252"	1441.325876	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+H"	1.007276
"1356600"	481.113476	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H"	1.007276
"127303"	481.113476	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+2H"	2.014552
"567228"	721.166576	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+2H"	2.014552
"1038575"	241.060376	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2H"	2.014552
"206842"	321.078076	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+3H"	3.021828
"646038"	481.113476	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+3H"	3.021828
"1163800"	161.042676	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+3H"	3.021828
"424562"	978.246223	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+NH4"	18.033823
"789887"	1458.352423	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+NH4"	18.033823
"1687310"	498.140023	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+NH4"	18.033823
"338870"	489.6267495	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+H+NH4"	19.041099
"733478"	729.6798495	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+H+NH4"	19.041099
"1482931"	249.5736495	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H+NH4"	19.041099
"393385"	983.201618	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+Na"	22.989218
"755673"	1463.307818	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+Na"	22.989218
"1603776"	503.095418	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Na"	22.989218
"318193"	492.104447	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+H+Na"	23.996494
"712071"	732.157547	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+H+Na"	23.996494
"1463703"	252.051347	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H+Na"	23.996494
"1054033"	168.36999	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2H+Na"	25.00377
"1261912"	513.139686	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+CH3OH+H"	33.033486
"379026"	999.175558	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+K"	38.963158
"743679"	1479.281758	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+K"	38.963158
"1541354"	519.069358	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+K"	38.963158
"309471"	500.091417	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+H+K"	39.970434
"701891"	740.144517	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+H+K"	39.970434
"1454616"	260.038317	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H+K"	39.970434
"241029"	1002.246226	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+ACN+H"	42.033826
"1214837"	522.140026	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+ACN+H"	42.033826
"1197626"	261.573651	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+ACN+2H"	43.041102
"191954"	1005.18356	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+2Na-H"	44.97116
"632245"	1485.28976	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+2Na-H"	44.97116
"1133560"	525.07736	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2Na-H"	44.97116
"180139"	503.095418	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+2Na"	45.978436
"619700"	743.148518	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+2Na"	45.978436
"1121019"	263.042318	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2Na"	45.978436
"1402356"	175.697304	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H+2Na"	46.985712
"1433377"	527.118946	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H+HCOOH"	47.012746
"223437"	508.12844	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+3H2O+2H"	56.04448
"1509675"	541.17099	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+IsoProp+H"	61.06479
"409114"	511.082388	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+Na+K"	61.952376
"771447"	751.135488	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+Na+K"	61.952376
"1665692"	271.029288	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Na+K"	61.952376
"251869"	1024.228168	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+ACN+Na"	64.015768
"1227013"	544.121968	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+ACN+Na"	64.015768
"1715901"	544.145493	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+NH4+HCOOH"	64.039293
"1182715"	183.024618	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+3Na"	68.967654
"1652972"	549.100888	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Na+HCOOH"	68.994688
"159836"	1037.13144	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+2K-H"	76.91904
"598423"	1517.23764	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+2K-H"	76.91904
"1091202"	557.02524	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2K-H"	76.91904
"149111"	519.069358	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"2M+2K"	77.926316
"589766"	759.122458	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"3M+2K"	77.926316
"1072091"	279.016258	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2K"	77.926316
"1106393"	559.039792	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2K+H"	78.933592
"1336947"	559.127407	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+DMSO+H"	79.021207
"1011310"	563.166576	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2ACN+H"	83.060376
"1525667"	564.160208	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+IsoProp+Na+H"	84.054008
"993697"	282.086926	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+2ACN+2H"	84.067652
"1593667"	565.074828	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+K+HCOOH"	84.968628
"1415317"	595.106338	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+H+CF3COOH"	115.000138
"1148037"	302.600201	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+3ACN+2H"	125.094202
"1699173"	612.132885	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+NH4+CF3COOH"	132.026685
"1634293"	617.08828	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+Na+CF3COOH"	136.98208
"1572419"	633.06222	"C17880"	"Cryptocyanin;Cryptocyanine iodide"	"C25H25N2I"	"480.1062"	"M+K+CF3COOH"	152.95602
"811779"	431.3399	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M"	0
"980938"	412.32151	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-H2O-H"	-19.01839
"75744"	286.552657333333	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M-3H"	-3.021828
"514210"	430.332624	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M-3H"	-3.021828
"893107"	142.772690666667	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-3H"	-3.021828
"2931"	430.332624	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M-2H"	-2.014552
"442492"	646.002574	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M-2H"	-2.014552
"825762"	214.662674	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-2H"	-2.014552
"87941"	861.672524	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M-H"	-1.007276
"524223"	1293.012424	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M-H"	-1.007276
"900934"	430.332624	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-H"	-1.007276
"56400"	878.699071	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M-2H+NH4"	16.019271
"490495"	1310.038971	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M-2H+NH4"	16.019271
"878991"	447.359171	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-2H+NH4"	16.019271
"44946"	883.654466	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M-2H+Na"	20.974666
"483413"	1314.994366	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M-2H+Na"	20.974666
"855744"	452.314566	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-2H+Na"	20.974666
"1626368"	452.314566	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Na-2H"	20.974666
"99617"	448.320963	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M-H+Cl"	33.962126
"538083"	663.990913	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M-H+Cl"	33.962126
"932696"	232.651013	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-H+Cl"	33.962126
"267188"	897.649202	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+Cl"	34.969402
"661240"	1328.989102	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+Cl"	34.969402
"1274254"	466.309302	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Cl"	34.969402
"20455"	899.628406	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M-2H+K"	36.948606
"455779"	1330.968306	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M-2H+K"	36.948606
"838546"	468.288506	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-2H+K"	36.948606
"1558024"	468.288506	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+K-2H"	36.948606
"943150"	476.338094	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-H+HCOOH"	44.998194
"361767"	907.678001	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+HCOOH-H"	44.998201
"349825"	921.693651	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+Hac-H"	59.013851
"1496472"	490.353751	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Hac-H"	59.013851
"962922"	498.320051	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-H+NaCOOH"	66.980151
"112923"	466.309302	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+2Cl"	69.938804
"552119"	681.979252	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+2Cl"	69.938804
"1021392"	250.639352	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2Cl"	69.938804
"1243051"	510.258785	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Br"	78.918885
"1310611"	512.314772	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Cl+HCOOH"	80.974872
"1330292"	534.296729	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Cl+NaCOOH"	102.956829
"914425"	544.325486	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M-H+CF3COOH"	112.985586
"1299883"	580.302164	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Cl+CF3COOH"	148.962264
"1379504"	396.327224	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H-2H2O"	-35.012676
"1397972"	414.3372	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H-H2O"	-17.0027
"295592"	863.687076	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+H"	1.007276
"678174"	1295.026976	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+H"	1.007276
"1361084"	432.347176	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H"	1.007276
"130693"	432.347176	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+2H"	2.014552
"568066"	648.017126	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+2H"	2.014552
"1040148"	216.677226	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2H"	2.014552
"208049"	288.567209333333	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+3H"	3.021828
"645421"	432.347176	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+3H"	3.021828
"1164641"	144.787242666667	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+3H"	3.021828
"425725"	880.713623	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+NH4"	18.033823
"789998"	1312.053523	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+NH4"	18.033823
"1687421"	449.373723	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+NH4"	18.033823
"337885"	440.8604495	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+H+NH4"	19.041099
"733586"	656.5303995	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+H+NH4"	19.041099
"1483041"	225.1904995	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H+NH4"	19.041099
"393819"	885.669018	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+Na"	22.989218
"755173"	1317.008918	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+Na"	22.989218
"1603029"	454.329118	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Na"	22.989218
"321946"	443.338147	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+H+Na"	23.996494
"711087"	659.008097	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+H+Na"	23.996494
"1465999"	227.668197	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H+Na"	23.996494
"1055235"	152.114556666667	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2H+Na"	25.00377
"1257403"	464.373386	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+CH3OH+H"	33.033486
"378160"	901.642958	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+K"	38.963158
"743789"	1332.982858	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+K"	38.963158
"1540287"	470.303058	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+K"	38.963158
"306300"	451.325117	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+H+K"	39.970434
"696898"	666.995067	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+H+K"	39.970434
"1452540"	235.655167	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H+K"	39.970434
"245515"	904.713626	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+ACN+H"	42.033826
"1211667"	473.373726	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+ACN+H"	42.033826
"1198832"	237.190501	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+ACN+2H"	43.041102
"189516"	907.65096	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+2Na-H"	44.97116
"629802"	1338.99086	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+2Na-H"	44.97116
"1133674"	476.31106	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2Na-H"	44.97116
"176969"	454.329118	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+2Na"	45.978436
"620903"	669.999068	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+2Na"	45.978436
"1117848"	238.659168	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2Na"	45.978436
"1406839"	159.441870666667	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H+2Na"	46.985712
"1432395"	478.352646	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H+HCOOH"	47.012746
"220996"	459.36214	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+3H2O+2H"	56.04448
"1510517"	492.40469	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+IsoProp+H"	61.06479
"409467"	462.316088	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+Na+K"	61.952376
"772286"	677.986038	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+Na+K"	61.952376
"1666793"	246.646138	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Na+K"	61.952376
"252220"	926.695568	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+ACN+Na"	64.015768
"1231865"	495.355668	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+ACN+Na"	64.015768
"1715283"	495.379193	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+NH4+HCOOH"	64.039293
"1189387"	166.769184666667	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+3Na"	68.967654
"1654907"	500.334588	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Na+HCOOH"	68.994688
"159582"	939.59884	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+2K-H"	76.91904
"600601"	1370.93874	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+2K-H"	76.91904
"1088393"	508.25894	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2K-H"	76.91904
"142782"	470.303058	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"2M+2K"	77.926316
"586594"	685.973008	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"3M+2K"	77.926316
"1075480"	254.633108	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2K"	77.926316
"1102129"	510.273492	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2K+H"	78.933592
"1336327"	510.361107	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+DMSO+H"	79.021207
"1008139"	514.400276	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2ACN+H"	83.060376
"1529544"	515.393908	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+IsoProp+Na+H"	84.054008
"992714"	257.703776	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+2ACN+2H"	84.067652
"1591590"	516.308528	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+K+HCOOH"	84.968628
"1416159"	546.340038	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+H+CF3COOH"	115.000138
"1148635"	278.217051	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+3ACN+2H"	125.094202
"1698552"	563.366585	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+NH4+CF3COOH"	132.026685
"1634566"	568.32198	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+Na+CF3COOH"	136.98208
"1572408"	584.29592	"C17881"	"Zhebeinine"	"C27H45NO3"	"431.3399"	"M+K+CF3COOH"	152.95602
"811889"	593.3928	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M"	0
"984329"	574.37441	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-H2O-H"	-19.01839
"77677"	394.587924	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M-3H"	-3.021828
"515413"	592.385524	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M-3H"	-3.021828
"893216"	196.790324	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-3H"	-3.021828
"6323"	592.385524	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M-2H"	-2.014552
"450257"	889.081924	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M-2H"	-2.014552
"826969"	295.689124	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-2H"	-2.014552
"91335"	1185.778324	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M-H"	-1.007276
"526522"	1779.171124	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M-H"	-1.007276
"908457"	592.385524	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-H"	-1.007276
"59794"	1202.804871	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M-2H+NH4"	16.019271
"499354"	1796.197671	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M-2H+NH4"	16.019271
"878862"	609.412071	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-2H+NH4"	16.019271
"45182"	1207.760266	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M-2H+Na"	20.974666
"485957"	1801.153066	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M-2H+Na"	20.974666
"862418"	614.367466	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-2H+Na"	20.974666
"1624659"	614.367466	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Na-2H"	20.974666
"99365"	610.373863	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M-H+Cl"	33.962126
"541479"	907.070263	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M-H+Cl"	33.962126
"937182"	313.677463	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-H+Cl"	33.962126
"275007"	1221.755002	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+Cl"	34.969402
"666334"	1815.147802	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+Cl"	34.969402
"1279832"	628.362202	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Cl"	34.969402
"21293"	1223.734206	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M-2H+K"	36.948606
"461948"	1817.127006	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M-2H+K"	36.948606
"833917"	630.341406	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-2H+K"	36.948606
"1560690"	630.341406	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+K-2H"	36.948606
"950761"	638.390994	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-H+HCOOH"	44.998194
"369698"	1231.783801	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+HCOOH-H"	44.998201
"350665"	1245.799451	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+Hac-H"	59.013851
"1499864"	652.406651	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Hac-H"	59.013851
"964126"	660.372951	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-H+NaCOOH"	66.980151
"115952"	628.362202	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+2Cl"	69.938804
"557700"	925.058602	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+2Cl"	69.938804
"1021756"	331.665802	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2Cl"	69.938804
"1245350"	672.311685	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Br"	78.918885
"1312908"	674.367672	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Cl+HCOOH"	80.974872
"1330402"	696.349629	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Cl+NaCOOH"	102.956829
"916358"	706.378386	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M-H+CF3COOH"	112.985586
"1298171"	742.355064	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Cl+CF3COOH"	148.962264
"1378519"	558.380124	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H-2H2O"	-35.012676
"1397476"	576.3901	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H-H2O"	-17.0027
"290234"	1187.792876	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+H"	1.007276
"684846"	1781.185676	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+H"	1.007276
"1359007"	594.400076	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H"	1.007276
"131896"	594.400076	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+2H"	2.014552
"572552"	891.096476	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+2H"	2.014552
"1043538"	297.703676	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2H"	2.014552
"210346"	396.602476	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+3H"	3.021828
"652090"	594.400076	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+3H"	3.021828
"1165844"	198.804876	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+3H"	3.021828
"431301"	1204.819423	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+NH4"	18.033823
"792295"	1798.212223	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+NH4"	18.033823
"1689719"	611.426623	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+NH4"	18.033823
"338001"	602.9133495	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+H+NH4"	19.041099
"732605"	899.6097495	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+H+NH4"	19.041099
"1483151"	306.2169495	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H+NH4"	19.041099
"396360"	1209.774818	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+Na"	22.989218
"756261"	1803.167618	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+Na"	22.989218
"1603870"	616.382018	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Na"	22.989218
"323149"	605.391047	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+H+Na"	23.996494
"713385"	902.087447	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+H+Na"	23.996494
"1467204"	308.694647	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H+Na"	23.996494
"1057167"	206.13219	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2H+Na"	25.00377
"1258850"	626.426286	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+CH3OH+H"	33.033486
"381795"	1225.748758	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+K"	38.963158
"739639"	1819.141558	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+K"	38.963158
"1541575"	632.355958	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+K"	38.963158
"306410"	613.378017	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+H+K"	39.970434
"699924"	910.074417	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+H+K"	39.970434
"1454836"	316.681617	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H+K"	39.970434
"239064"	1228.819426	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+ACN+H"	42.033826
"1212870"	635.426626	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+ACN+H"	42.033826
"1201129"	318.216951	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+ACN+2H"	43.041102
"190354"	1231.75676	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+2Na-H"	44.97116
"630279"	1825.14956	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+2Na-H"	44.97116
"1134513"	638.36396	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2Na-H"	44.97116
"181453"	616.382018	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+2Na"	45.978436
"619922"	913.078418	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+2Na"	45.978436
"1120147"	319.685618	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2Na"	45.978436
"1400024"	213.459504	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H+2Na"	46.985712
"1432138"	640.405546	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H+HCOOH"	47.012746
"226574"	621.41504	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+3H2O+2H"	56.04448
"1514638"	654.45759	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+IsoProp+H"	61.06479
"412134"	624.368988	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+Na+K"	61.952376
"774224"	921.065388	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+Na+K"	61.952376
"1667636"	327.672588	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Na+K"	61.952376
"252336"	1250.801368	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+ACN+Na"	64.015768
"1230884"	657.408568	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+ACN+Na"	64.015768
"1719769"	657.432093	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+NH4+HCOOH"	64.039293
"1189497"	220.786818	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+3Na"	68.967654
"1655381"	662.387488	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Na+HCOOH"	68.994688
"166252"	1263.70464	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+2K-H"	76.91904
"604357"	1857.09744	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+2K-H"	76.91904
"1090328"	670.31184	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2K-H"	76.91904
"143132"	632.355958	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"2M+2K"	77.926316
"583422"	929.052358	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"3M+2K"	77.926316
"1071213"	335.659558	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2K"	77.926316
"1101508"	672.326392	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2K+H"	78.933592
"1336434"	672.414007	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+DMSO+H"	79.021207
"1008251"	676.453176	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2ACN+H"	83.060376
"1527467"	677.446808	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+IsoProp+Na+H"	84.054008
"990270"	338.730226	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+2ACN+2H"	84.067652
"1587813"	678.361428	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+K+HCOOH"	84.968628
"1414928"	708.392938	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+H+CF3COOH"	115.000138
"1149839"	359.243501	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+3ACN+2H"	125.094202
"1698299"	725.419485	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+NH4+CF3COOH"	132.026685
"1634349"	730.37488	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+Na+CF3COOH"	136.98208
"1572154"	746.34882	"C17882"	"Peiminoside"	"C33H55NO8"	"593.3928"	"M+K+CF3COOH"	152.95602
"815282"	150.0681	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M"	0
"988696"	131.04971	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"77425"	99.038124	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"517711"	149.060824	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"892234"	49.015424	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"14093"	149.060824	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"450370"	224.094874	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"830360"	74.026774	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"92418"	299.128924	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"531008"	449.197024	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"907717"	149.060824	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"58810"	316.155471	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"496184"	466.223571	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"878486"	166.087371	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"45293"	321.110866	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"485339"	471.178966	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"860341"	171.042766	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1629874"	171.042766	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"106399"	167.049163	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"542680"	242.083213	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"937291"	92.015113	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"276938"	335.105602	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"666079"	485.173702	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1281400"	185.037502	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"19945"	337.084806	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"460235"	487.152906	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"839496"	187.016706	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1564080"	187.016706	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"951964"	195.066294	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"366164"	345.134401	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"350046"	359.150051	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1496329"	209.081951	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"964601"	217.048251	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"111439"	185.037502	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"554526"	260.071552	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1022231"	110.003452	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1241809"	228.986985	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1317391"	231.042972	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1327232"	253.024929	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"922670"	263.053686	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1303758"	299.030364	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1382358"	115.055424	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1393939"	133.0654	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"295812"	301.143476	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"684956"	451.211576	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1360211"	151.075376	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"132006"	151.075376	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"572662"	226.109426	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1043649"	76.041326	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"210456"	101.052676	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"652200"	151.075376	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1165955"	51.029976	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"428496"	318.170023	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"789492"	468.238123	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1687645"	168.101923	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"338110"	159.5886495	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"731624"	234.6226995	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1488730"	84.5545995	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"405222"	323.125418	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"764030"	473.193518	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1613222"	173.057318	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"317797"	162.066347	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"710944"	237.100397	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1466221"	87.032297	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1059464"	58.35729	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1263329"	183.101586	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"381905"	339.099358	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"747286"	489.167458	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1546060"	189.031258	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"306518"	170.053317	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"700033"	245.087367	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1456041"	95.019267	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"240270"	342.170026	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1217354"	192.101926	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1195892"	96.554601	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"191555"	345.10736	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"632574"	495.17546	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1136080"	195.03926	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"179376"	173.057318	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"621125"	248.091368	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1120257"	98.023268	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1402686"	65.684604	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1434073"	197.080846	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"228871"	178.09034	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1514746"	211.13289	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"411150"	181.044288	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"771174"	256.078338	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1668483"	106.010238	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"253546"	364.151968	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1229901"	214.083868	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1715506"	214.107393	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1186328"	73.011918	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1657315"	219.062788	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"164177"	377.05524	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"602645"	527.12334	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1090436"	226.98714	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"145065"	189.031258	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"583533"	264.065308	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1074605"	113.997208	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1103442"	229.001692	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1337763"	229.089307	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1010548"	233.128476	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1527578"	234.122108	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"991842"	117.067876	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1588776"	235.036728	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1415285"	265.068238	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1147358"	137.581151	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1698411"	282.094785	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1634948"	287.05018	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1572264"	303.02412	"C17883"	"4-Vinylguaiacol"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"816801"	232.1463	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M"	0
"988926"	213.12791	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"78485"	153.756924	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"518430"	231.139024	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"895628"	76.374824	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"15601"	231.139024	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"448293"	347.212174	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"827190"	115.065874	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"92528"	463.285324	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"533064"	695.431624	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"910014"	231.139024	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"58921"	480.311871	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"498481"	712.458171	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"878470"	248.165571	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"46127"	485.267266	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"484838"	717.413566	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"859356"	253.120966	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1631073"	253.120966	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"106874"	249.127363	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"544977"	365.200513	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"938494"	133.054213	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"278142"	499.262002	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"669470"	731.408302	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1281875"	267.115702	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"22243"	501.241206	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"465084"	733.387506	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"836325"	269.094906	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1565283"	269.094906	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"949887"	277.144494	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"365914"	509.290801	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"356357"	523.306451	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1500816"	291.160151	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"961064"	299.126451	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"111429"	267.115702	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"550379"	383.188852	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1021524"	151.042552	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1241709"	311.065185	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1308755"	313.121172	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1325156"	335.103129	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"922780"	345.131886	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1303499"	381.108564	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1379834"	197.133624	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1392956"	215.1436	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"292642"	465.299876	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"685067"	697.446176	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1360321"	233.153576	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"131023"	233.153576	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"572772"	349.226726	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1047039"	117.080426	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"210566"	155.771476	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"647938"	233.153576	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1168252"	78.389376	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"428243"	482.326423	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"792518"	714.472723	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1688847"	250.180123	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"339313"	241.6668495	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"735014"	357.7399995	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1489934"	125.5936995	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"405332"	487.281818	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"764140"	719.428118	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1613332"	255.135518	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"317906"	244.144547	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"709596"	360.217697	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1467424"	128.071397	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1054475"	85.71669	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1264532"	265.179786	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"379829"	503.255758	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"744116"	735.402058	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1547263"	271.109458	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"306628"	252.131517	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"699050"	368.204667	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1456152"	136.058367	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"242567"	506.326426	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1218557"	274.180126	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1198427"	137.593701	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"191665"	509.26376	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"632318"	741.41006	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1136920"	277.11746	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"176570"	255.135518	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"624514"	371.208668	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1121460"	139.062368	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1403161"	93.044004	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1432725"	279.159046	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"232262"	260.16854	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1515221"	293.21109	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"409803"	263.122488	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"771531"	379.195638	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1672968"	147.049338	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"256575"	528.308368	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1232199"	296.162068	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1722178"	296.185593	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1186438"	100.371318	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1656332"	301.140988	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"165382"	541.21164	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"602755"	773.35794	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1088360"	309.06534	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"142990"	271.109458	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"583644"	387.182608	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1074716"	155.036308	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1101245"	311.079892	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1339938"	311.167507	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1018315"	315.206676	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1526961"	316.200308	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"994140"	158.106976	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1591194"	317.114928	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1416006"	347.146438	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1148969"	178.620251	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1702894"	364.172985	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1635382"	369.12838	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1573103"	385.10232	"C17884"	"3beta-Hydroxyatractylon"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"812219"	230.1307	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M"	0
"988308"	211.11231	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"76551"	152.413190666667	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"517207"	229.123424	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"894642"	75.7029573333333	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"11031"	229.123424	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"450589"	344.188774	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"826206"	114.058074	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"92759"	459.254124	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"530134"	689.384824	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"909031"	229.123424	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"57937"	476.280671	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"495311"	706.411371	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"879189"	246.149971	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"42105"	481.236066	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"484948"	711.366766	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"860560"	251.105366	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1629000"	251.105366	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"106618"	247.111763	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"547274"	362.177113	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"937509"	132.046413	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"276064"	495.230802	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"664841"	725.361502	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1283078"	265.100102	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"23447"	497.210006	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"460821"	727.340706	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"841905"	267.079306	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1565393"	267.079306	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"952184"	275.128894	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"368211"	505.259601	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"355374"	519.275251	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1499833"	289.144551	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"961906"	297.110851	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"111053"	265.100102	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"554749"	380.165452	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1025732"	150.034752	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1241340"	309.049585	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1308865"	311.105572	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1326359"	333.087529	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"925806"	343.116286	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1299597"	379.092964	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1379944"	195.118024	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1395253"	213.128	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"292752"	461.268676	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"681897"	691.399376	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1358244"	231.137976	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"127853"	231.137976	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"572882"	346.203326	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1047149"	116.072626	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"210676"	154.427742666667	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"650235"	231.137976	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1167268"	77.7175093333333	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"429447"	478.295223	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"794814"	708.425923	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1688958"	248.164523	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"338330"	239.6512495	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"734029"	354.7165995	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1490409"	124.5858995	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"404349"	483.250618	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"760970"	713.381318	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1610162"	253.119918	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"318016"	242.128947	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"711527"	357.194297	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1467534"	127.063597	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1054947"	85.0448233333333	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1263549"	263.164186	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"381032"	499.224558	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"743133"	729.355258	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1548466"	269.093858	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"306738"	250.115917	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"700253"	365.181267	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1458448"	135.050567	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"243770"	502.295226	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1218667"	272.164526	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1199266"	136.585901	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"192868"	505.23256	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"634253"	735.36326	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1136666"	275.10186	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"179596"	253.119918	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"624624"	368.185268	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1123756"	138.054568	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1404000"	92.3721373333333	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1435022"	277.143446	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"222895"	258.15294	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1514967"	291.19549	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"411739"	261.106888	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"771275"	376.172238	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1671984"	146.041538	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"253398"	524.277168	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1231216"	294.146468	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1719008"	294.169993	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1181442"	99.6994513333333	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1656442"	299.125388	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"162213"	537.18044	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"600678"	767.31114	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1087740"	307.04974	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"146380"	269.093858	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"587034"	384.159208	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1074826"	154.028508	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1104759"	309.064292	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1341142"	309.151907	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1017330"	313.191076	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1526707"	314.184708	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"1000809"	157.099176	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1592034"	315.099328	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1414780"	345.130838	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1148105"	177.612451	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1700817"	362.157385	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1634520"	367.11278	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1573213"	383.08672	"C17885"	"Atractylenolide I"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"812329"	232.1463	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M"	0
"989025"	213.12791	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-H2O-H"	-19.01839
"76297"	153.756924	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M-3H"	-3.021828
"517803"	231.139024	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M-3H"	-3.021828
"892565"	76.374824	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-3H"	-3.021828
"11141"	231.139024	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M-2H"	-2.014552
"451793"	347.212174	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M-2H"	-2.014552
"832516"	115.065874	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-2H"	-2.014552
"94128"	463.285324	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M-H"	-1.007276
"529151"	695.431624	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M-H"	-1.007276
"909141"	231.139024	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-H"	-1.007276
"58047"	480.311871	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M-2H+NH4"	16.019271
"498701"	712.458171	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M-2H+NH4"	16.019271
"876503"	248.165571	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-2H+NH4"	16.019271
"43310"	485.267266	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M-2H+Na"	20.974666
"485060"	717.413566	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M-2H+Na"	20.974666
"860670"	253.120966	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-2H+Na"	20.974666
"1630202"	253.120966	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Na-2H"	20.974666
"105635"	249.127363	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M-H+Cl"	33.962126
"546291"	365.200513	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M-H+Cl"	33.962126
"937620"	133.054213	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-H+Cl"	33.962126
"273987"	499.262002	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+Cl"	34.969402
"664587"	731.408302	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+Cl"	34.969402
"1281001"	267.115702	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Cl"	34.969402
"29025"	501.241206	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M-2H+K"	36.948606
"460931"	733.387506	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M-2H+K"	36.948606
"838735"	269.094906	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-2H+K"	36.948606
"1565503"	269.094906	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+K-2H"	36.948606
"950107"	277.144494	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-H+HCOOH"	44.998194
"369414"	509.290801	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+HCOOH-H"	44.998201
"347830"	523.306451	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+Hac-H"	59.013851
"1502129"	291.160151	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Hac-H"	59.013851
"963106"	299.126451	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-H+NaCOOH"	66.980151
"112745"	267.115702	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+2Cl"	69.938804
"554129"	383.188852	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+2Cl"	69.938804
"1025478"	151.042552	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2Cl"	69.938804
"1241773"	311.065185	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Br"	78.918885
"1308975"	313.121172	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Cl+HCOOH"	80.974872
"1324282"	335.103129	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Cl+NaCOOH"	102.956829
"919720"	345.131886	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M-H+CF3COOH"	112.985586
"1297520"	381.108564	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Cl+CF3COOH"	148.962264
"1376774"	197.133624	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H-2H2O"	-35.012676
"1393176"	215.1436	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H-H2O"	-17.0027
"289582"	465.299876	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+H"	1.007276
"682007"	697.446176	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+H"	1.007276
"1356167"	233.153576	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H"	1.007276
"127963"	233.153576	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+2H"	2.014552
"574086"	349.226726	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+2H"	2.014552
"1048353"	117.080426	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2H"	2.014552
"210786"	155.771476	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+3H"	3.021828
"651437"	233.153576	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+3H"	3.021828
"1167379"	78.389376	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+3H"	3.021828
"430651"	482.326423	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+NH4"	18.033823
"791645"	714.472723	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+NH4"	18.033823
"1689069"	250.180123	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+NH4"	18.033823
"341718"	241.6668495	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+H+NH4"	19.041099
"733045"	357.7399995	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+H+NH4"	19.041099
"1490883"	125.5936995	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H+NH4"	19.041099
"405188"	487.281818	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+Na"	22.989218
"764360"	719.428118	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+Na"	22.989218
"1610272"	255.135518	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Na"	22.989218
"318126"	244.144547	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+H+Na"	23.996494
"710543"	360.217697	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+H+Na"	23.996494
"1463272"	128.071397	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H+Na"	23.996494
"1054696"	85.71669	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2H+Na"	25.00377
"1262566"	265.179786	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+CH3OH+H"	33.033486
"381142"	503.255758	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+K"	38.963158
"744336"	735.402058	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+K"	38.963158
"1546390"	271.109458	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+K"	38.963158
"305755"	252.131517	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+H+K"	39.970434
"700363"	368.204667	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+H+K"	39.970434
"1458558"	136.058367	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H+K"	39.970434
"242787"	506.326426	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+ACN+H"	42.033826
"1217684"	274.180126	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+ACN+H"	42.033826
"1198283"	137.593701	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+ACN+2H"	43.041102
"192614"	509.26376	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+2Na-H"	44.97116
"635091"	741.41006	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+2Na-H"	44.97116
"1136047"	277.11746	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2Na-H"	44.97116
"178612"	255.135518	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+2Na"	45.978436
"621454"	371.208668	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+2Na"	45.978436
"1119492"	139.062368	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2Na"	45.978436
"1402287"	93.044004	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H+2Na"	46.985712
"1434039"	279.159046	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H+HCOOH"	47.012746
"221911"	260.16854	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+3H2O+2H"	56.04448
"1512889"	293.21109	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+IsoProp+H"	61.06479
"410026"	263.122488	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+Na+K"	61.952376
"773574"	379.195638	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+Na+K"	61.952376
"1667717"	147.049338	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Na+K"	61.952376
"254602"	528.308368	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+ACN+Na"	64.015768
"1230594"	296.162068	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+ACN+Na"	64.015768
"1719118"	296.185593	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+NH4+HCOOH"	64.039293
"1180094"	100.371318	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+3Na"	68.967654
"1653997"	301.140988	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Na+HCOOH"	68.994688
"161230"	541.21164	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+2K-H"	76.91904
"600788"	773.35794	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+2K-H"	76.91904
"1087121"	309.06534	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2K-H"	76.91904
"144304"	271.109458	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"2M+2K"	77.926316
"586051"	387.182608	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"3M+2K"	77.926316
"1074937"	155.036308	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2K"	77.926316
"1102682"	311.079892	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2K+H"	78.933592
"1339064"	311.167507	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+DMSO+H"	79.021207
"1017440"	315.206676	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2ACN+H"	83.060376
"1526817"	316.200308	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+IsoProp+Na+H"	84.054008
"999826"	158.106976	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+2ACN+2H"	84.067652
"1590321"	317.114928	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+K+HCOOH"	84.968628
"1415255"	347.146438	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+H+CF3COOH"	115.000138
"1148094"	178.620251	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+3ACN+2H"	125.094202
"1697889"	364.172985	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+NH4+CF3COOH"	132.026685
"1635482"	369.12838	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+Na+CF3COOH"	136.98208
"1571742"	385.10232	"C17886"	"Atractylenolide II"	"C15H20O2"	"232.1463"	"M+K+CF3COOH"	152.95602
"809159"	248.1412	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M"	0
"989256"	229.12281	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"77503"	164.420190666667	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"517065"	247.133924	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"894501"	81.7064573333333	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"15025"	247.133924	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"455191"	371.204524	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"832143"	123.063324	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"93593"	495.275124	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"532420"	743.416324	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"907064"	247.133924	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"59251"	512.301671	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"499904"	760.442871	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"878556"	264.160471	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"45243"	517.257066	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"485655"	765.398266	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"863215"	269.115866	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1632988"	269.115866	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"107936"	265.122263	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"549084"	389.192863	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"938824"	141.051663	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"276285"	531.251802	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"666521"	779.393002	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1281111"	283.110602	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"20390"	533.231006	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"461045"	781.372206	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"842127"	285.089806	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1569625"	285.089806	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"955684"	293.139394	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"371713"	541.280601	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"355598"	555.296251	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1497867"	307.155051	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"961399"	315.121351	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"112125"	283.110602	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"552046"	407.181202	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1024491"	159.040002	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1245896"	327.060085	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1305791"	329.116072	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1324758"	351.098029	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"919830"	361.126786	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1294351"	397.103464	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1376885"	213.128524	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1393287"	231.1385	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"285320"	497.289676	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"687585"	745.430876	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1361745"	249.148476	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"132447"	249.148476	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"575290"	373.219076	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1049557"	125.077876	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"218551"	166.434742666667	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"654831"	249.148476	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1171862"	83.7210093333333	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"430761"	514.316223	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"798317"	762.457423	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1693190"	266.175023	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"339645"	257.6617495	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"732064"	381.7323495	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1488076"	133.5911495	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"402382"	519.271618	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"761190"	767.412818	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1604913"	271.130418	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"315680"	260.139447	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"708586"	384.210047	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1465564"	136.068847	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1053705"	91.0483233333333	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1259393"	281.174686	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"379062"	535.245558	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"743348"	783.386758	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1542123"	287.104358	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"304771"	268.126417	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"700473"	392.197017	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1456482"	144.055817	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"242897"	538.316226	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1214517"	290.175026	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1199493"	145.591151	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"192725"	541.25356	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"635206"	789.39476	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1135430"	293.11236	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"176168"	271.130418	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"616460"	395.201018	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1118141"	147.059818	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1404222"	98.3756373333333	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1434513"	295.153946	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"221288"	276.16344	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1509352"	309.20599	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"410499"	279.117388	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"771494"	403.187988	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1666243"	155.046788	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"251432"	560.298168	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1228879"	312.156968	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1718134"	312.180493	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1179190"	105.702951333333	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1651920"	317.135888	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"161337"	573.20144	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"607461"	821.34264	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1097441"	325.06024	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"152071"	287.104358	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"590537"	411.174958	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1077238"	163.033758	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1104979"	327.074792	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1341361"	327.162407	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1015362"	331.201576	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1532392"	332.195208	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"994467"	166.104426	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1592250"	333.109828	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1419006"	363.141338	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1153667"	186.617701	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1703220"	380.167885	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1634741"	385.12328	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1572340"	401.09722	"C17887"	"Atractylenolide III"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"809269"	502.2414	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M"	0
"988638"	483.22301	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-H2O-H"	-19.01839
"76517"	333.820324	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M-3H"	-3.021828
"517170"	501.234124	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M-3H"	-3.021828
"891690"	166.406524	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-3H"	-3.021828
"15633"	501.234124	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M-2H"	-2.014552
"455181"	752.354824	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M-2H"	-2.014552
"828725"	250.113424	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-2H"	-2.014552
"87624"	1003.475524	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M-H"	-1.007276
"532651"	1505.716924	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M-H"	-1.007276
"908267"	501.234124	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-H"	-1.007276
"52071"	1020.502071	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M-2H+NH4"	16.019271
"500013"	1522.743471	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M-2H+NH4"	16.019271
"877814"	518.260671	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-2H+NH4"	16.019271
"45349"	1025.457466	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M-2H+Na"	20.974666
"479805"	1527.698866	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M-2H+Na"	20.974666
"861982"	523.216066	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-2H+Na"	20.974666
"1628237"	523.216066	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Na-2H"	20.974666
"101486"	519.222463	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M-H+Cl"	33.962126
"545419"	770.343163	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M-H+Cl"	33.962126
"938934"	268.101763	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-H+Cl"	33.962126
"276395"	1039.452202	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+Cl"	34.969402
"666631"	1541.693602	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+Cl"	34.969402
"1280130"	537.210802	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Cl"	34.969402
"23780"	1041.431406	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M-2H+K"	36.948606
"461155"	1543.672806	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M-2H+K"	36.948606
"842237"	539.190006	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-2H+K"	36.948606
"1569735"	539.190006	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+K-2H"	36.948606
"956160"	547.239594	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-H+HCOOH"	44.998194
"374010"	1049.481001	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+HCOOH-H"	44.998201
"356802"	1063.496651	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+Hac-H"	59.013851
"1500165"	561.255251	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Hac-H"	59.013851
"959560"	569.221551	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-H+NaCOOH"	66.980151
"111264"	537.210802	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+2Cl"	69.938804
"550334"	788.331502	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+2Cl"	69.938804
"1022901"	286.090102	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2Cl"	69.938804
"1245277"	581.160285	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Br"	78.918885
"1305657"	583.216272	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Cl+HCOOH"	80.974872
"1321224"	605.198229	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Cl+NaCOOH"	102.956829
"916659"	615.226986	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M-H+CF3COOH"	112.985586
"1294461"	651.203664	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Cl+CF3COOH"	148.962264
"1376994"	467.228724	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H-2H2O"	-35.012676
"1386838"	485.2387	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H-H2O"	-17.0027
"287618"	1005.490076	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+H"	1.007276
"681133"	1507.731476	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+H"	1.007276
"1358575"	503.248676	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H"	1.007276
"134745"	503.248676	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+2H"	2.014552
"571027"	754.369376	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+2H"	2.014552
"1043106"	252.127976	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2H"	2.014552
"215380"	335.834876	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+3H"	3.021828
"649474"	503.248676	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+3H"	3.021828
"1167598"	168.421076	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+3H"	3.021828
"427591"	1022.516623	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+NH4"	18.033823
"796240"	1524.758023	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+NH4"	18.033823
"1691477"	520.275223	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+NH4"	18.033823
"338659"	511.7619495	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+H+NH4"	19.041099
"731080"	762.8826495	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+H+NH4"	19.041099
"1482719"	260.6412495	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H+NH4"	19.041099
"402492"	1027.472018	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+Na"	22.989218
"761300"	1529.713418	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+Na"	22.989218
"1608305"	525.230618	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Na"	22.989218
"315182"	514.239647	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+H+Na"	23.996494
"708575"	765.360347	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+H+Na"	23.996494
"1463490"	263.118947	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H+Na"	23.996494
"1054547"	175.74839	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2H+Na"	25.00377
"1258531"	535.274886	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+CH3OH+H"	33.033486
"378684"	1043.445958	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+K"	38.963158
"740166"	1545.687358	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+K"	38.963158
"1542230"	541.204558	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+K"	38.963158
"304881"	522.226617	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+H+K"	39.970434
"700583"	773.347317	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+H+K"	39.970434
"1455499"	271.105917	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H+K"	39.970434
"243007"	1046.516626	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+ACN+H"	42.033826
"1217907"	544.275226	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+ACN+H"	42.033826
"1205071"	272.641251	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+ACN+2H"	43.041102
"194661"	1049.45396	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+2Na-H"	44.97116
"633857"	1551.69536	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+2Na-H"	44.97116
"1135902"	547.21256	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2Na-H"	44.97116
"182114"	525.230618	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+2Na"	45.978436
"616570"	776.351318	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+2Na"	45.978436
"1118982"	274.109918	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2Na"	45.978436
"1404328"	183.075704	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H+2Na"	46.985712
"1433895"	549.254146	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H+HCOOH"	47.012746
"226142"	530.26364	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+3H2O+2H"	56.04448
"1510922"	563.30619	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+IsoProp+H"	61.06479
"412432"	533.217588	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+Na+K"	61.952376
"771968"	784.338288	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+Na+K"	61.952376
"1667569"	282.096888	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Na+K"	61.952376
"252266"	1068.498568	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+ACN+Na"	64.015768
"1228625"	566.257168	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+ACN+Na"	64.015768
"1718244"	566.280693	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+NH4+HCOOH"	64.039293
"1178772"	190.403018	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+3Na"	68.967654
"1652394"	571.236088	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Na+HCOOH"	68.994688
"161447"	1081.40184	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+2K-H"	76.91904
"610733"	1583.64324	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+2K-H"	76.91904
"1094271"	579.16044	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2K-H"	76.91904
"151088"	541.204558	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"2M+2K"	77.926316
"589554"	792.325258	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"3M+2K"	77.926316
"1078441"	290.083858	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2K"	77.926316
"1109462"	581.174992	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2K+H"	78.933592
"1342565"	581.262607	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+DMSO+H"	79.021207
"1016565"	585.301776	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2ACN+H"	83.060376
"1532504"	586.295408	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+IsoProp+Na+H"	84.054008
"1000045"	293.154526	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+2ACN+2H"	84.067652
"1592361"	587.210028	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+K+HCOOH"	84.968628
"1427864"	617.241538	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+H+CF3COOH"	115.000138
"1155964"	313.667801	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+3ACN+2H"	125.094202
"1706610"	634.268085	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+NH4+CF3COOH"	132.026685
"1635705"	639.22348	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+Na+CF3COOH"	136.98208
"1572450"	655.19742	"C17888"	"Eriojaposide A"	"C24H38O11"	"502.2414"	"M+K+CF3COOH"	152.95602
"814850"	516.2571	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M"	0
"988750"	497.23871	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-H2O-H"	-19.01839
"78046"	343.164124	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M-3H"	-3.021828
"518258"	515.249824	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M-3H"	-3.021828
"895207"	171.078424	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-3H"	-3.021828
"15121"	515.249824	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M-2H"	-2.014552
"454802"	773.378374	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M-2H"	-2.014552
"829929"	257.121274	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-2H"	-2.014552
"92959"	1031.506924	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M-H"	-1.007276
"532520"	1547.764024	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M-H"	-1.007276
"906190"	515.249824	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-H"	-1.007276
"60443"	1048.533471	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M-2H+NH4"	16.019271
"497937"	1564.790571	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M-2H+NH4"	16.019271
"877803"	532.276371	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-2H+NH4"	16.019271
"46840"	1053.488866	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M-2H+Na"	20.974666
"484289"	1569.745966	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M-2H+Na"	20.974666
"862092"	537.231766	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-2H+Na"	20.974666
"1631627"	537.231766	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Na-2H"	20.974666
"109827"	533.238163	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M-H+Cl"	33.962126
"549714"	791.366713	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M-H+Cl"	33.962126
"941718"	275.109613	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-H+Cl"	33.962126
"279785"	1067.483602	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+Cl"	34.969402
"673301"	1583.740702	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+Cl"	34.969402
"1285707"	551.226502	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Cl"	34.969402
"24983"	1069.462806	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M-2H+K"	36.948606
"464544"	1585.719906	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M-2H+K"	36.948606
"840158"	553.205706	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-2H+K"	36.948606
"1569481"	553.205706	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+K-2H"	36.948606
"956633"	561.255294	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-H+HCOOH"	44.998194
"375213"	1077.512401	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+HCOOH-H"	44.998201
"358006"	1091.528051	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+Hac-H"	59.013851
"1499184"	575.270951	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Hac-H"	59.013851
"965631"	583.237251	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-H+NaCOOH"	66.980151
"116724"	551.226502	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+2Cl"	69.938804
"551418"	809.355052	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+2Cl"	69.938804
"1023743"	293.097952	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2Cl"	69.938804
"1243928"	595.175985	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Br"	78.918885
"1305037"	597.231972	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Cl+HCOOH"	80.974872
"1327895"	619.213929	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Cl+NaCOOH"	102.956829
"923330"	629.242686	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M-H+CF3COOH"	112.985586
"1291291"	665.219364	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Cl+CF3COOH"	148.962264
"1377105"	481.244424	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H-2H2O"	-35.012676
"1390228"	499.2544	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H-H2O"	-17.0027
"285541"	1033.521476	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+H"	1.007276
"677963"	1549.778576	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+H"	1.007276
"1358685"	517.264376	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H"	1.007276
"134855"	517.264376	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+2H"	2.014552
"580616"	775.392926	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+2H"	2.014552
"1047590"	259.135826	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2H"	2.014552
"216220"	345.178676	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+3H"	3.021828
"650677"	517.264376	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+3H"	3.021828
"1169895"	173.092976	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+3H"	3.021828
"429159"	1050.548023	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+NH4"	18.033823
"797810"	1566.805123	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+NH4"	18.033823
"1693047"	534.290923	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+NH4"	18.033823
"338772"	525.7776495	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+H+NH4"	19.041099
"734471"	783.9061995	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+H+NH4"	19.041099
"1483924"	267.6490995	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H+NH4"	19.041099
"398230"	1055.503418	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+Na"	22.989218
"758130"	1571.760518	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+Na"	22.989218
"1608415"	539.246318	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Na"	22.989218
"317358"	528.255347	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+H+Na"	23.996494
"710144"	786.383897	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+H+Na"	23.996494
"1464691"	270.126797	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H+Na"	23.996494
"1055022"	180.42029	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2H+Na"	25.00377
"1260708"	549.290586	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+CH3OH+H"	33.033486
"378917"	1071.477358	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+K"	38.963158
"740282"	1587.734458	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+K"	38.963158
"1541247"	555.220258	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+K"	38.963158
"304262"	536.242317	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+H+K"	39.970434
"695590"	794.370867	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+H+K"	39.970434
"1457795"	278.113767	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H+K"	39.970434
"244210"	1074.548026	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+ACN+H"	42.033826
"1218016"	558.290926	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+ACN+H"	42.033826
"1197524"	279.649101	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+ACN+2H"	43.041102
"192583"	1077.48536	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+2Na-H"	44.97116
"630686"	1593.74246	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+2Na-H"	44.97116
"1133096"	561.22826	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2Na-H"	44.97116
"185504"	539.246318	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+2Na"	45.978436
"616679"	797.374868	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+2Na"	45.978436
"1118362"	281.117768	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2Na"	45.978436
"1403345"	187.747604	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H+2Na"	46.985712
"1432912"	563.269846	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H+HCOOH"	47.012746
"226252"	544.27934	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+3H2O+2H"	56.04448
"1511032"	577.32189	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+IsoProp+H"	61.06479
"412178"	547.233288	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+Na+K"	61.952376
"773172"	805.361838	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+Na+K"	61.952376
"1667679"	289.104738	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Na+K"	61.952376
"252494"	1096.529968	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+ACN+Na"	64.015768
"1225887"	580.272868	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+ACN+Na"	64.015768
"1713240"	580.296393	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+NH4+HCOOH"	64.039293
"1178958"	195.074918	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+3Na"	68.967654
"1650307"	585.251788	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Na+HCOOH"	68.994688
"160823"	1109.43324	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+2K-H"	76.91904
"602209"	1625.69034	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+2K-H"	76.91904
"1088911"	593.17614	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2K-H"	76.91904
"150103"	555.220258	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"2M+2K"	77.926316
"587475"	813.348808	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"3M+2K"	77.926316
"1074175"	297.091708	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2K"	77.926316
"1109573"	595.190692	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2K+H"	78.933592
"1348144"	595.278307	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+DMSO+H"	79.021207
"1014487"	599.317476	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2ACN+H"	83.060376
"1531519"	600.311108	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+IsoProp+Na+H"	84.054008
"992500"	300.162376	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+2ACN+2H"	84.067652
"1594659"	601.225728	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+K+HCOOH"	84.968628
"1427974"	631.257238	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+H+CF3COOH"	115.000138
"1158262"	320.675651	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+3ACN+2H"	125.094202
"1706719"	648.283785	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+NH4+CF3COOH"	132.026685
"1635815"	653.23918	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+Na+CF3COOH"	136.98208
"1582404"	669.21312	"C17889"	"Eriojaposide B"	"C25H40O11"	"516.2571"	"M+K+CF3COOH"	152.95602
"812772"	488.3502	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M"	0
"985211"	469.33181	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-H2O-H"	-19.01839
"77467"	324.559524	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M-3H"	-3.021828
"516296"	487.342924	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M-3H"	-3.021828
"895551"	161.776124	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-3H"	-3.021828
"14741"	487.342924	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M-2H"	-2.014552
"453330"	731.518024	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M-2H"	-2.014552
"832431"	243.167824	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-2H"	-2.014552
"87843"	975.693124	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M-H"	-1.007276
"525217"	1464.043324	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M-H"	-1.007276
"907391"	487.342924	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-H"	-1.007276
"59578"	992.719671	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M-2H+NH4"	16.019271
"492943"	1481.069871	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M-2H+NH4"	16.019271
"878885"	504.369471	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-2H+NH4"	16.019271
"37552"	997.675066	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M-2H+Na"	20.974666
"482212"	1486.025266	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M-2H+Na"	20.974666
"863502"	509.324866	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-2H+Na"	20.974666
"1634016"	509.324866	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Na-2H"	20.974666
"109850"	505.331263	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M-H+Cl"	33.962126
"545637"	749.506363	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M-H+Cl"	33.962126
"933684"	261.156163	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-H+Cl"	33.962126
"273337"	1011.669802	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+Cl"	34.969402
"663938"	1500.020002	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+Cl"	34.969402
"1277069"	523.319602	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Cl"	34.969402
"24000"	1013.649006	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M-2H+K"	36.948606
"459183"	1501.999206	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M-2H+K"	36.948606
"844644"	525.298806	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-2H+K"	36.948606
"1568860"	525.298806	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+K-2H"	36.948606
"952732"	533.348394	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-H+HCOOH"	44.998194
"370947"	1021.698601	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+HCOOH-H"	44.998201
"357020"	1035.714251	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+Hac-H"	59.013851
"1504761"	547.364051	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Hac-H"	59.013851
"969020"	555.330351	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-H+NaCOOH"	66.980151
"116834"	523.319602	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+2Cl"	69.938804
"555299"	767.494702	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+2Cl"	69.938804
"1021906"	279.144502	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2Cl"	69.938804
"1243309"	567.269085	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Br"	78.918885
"1304663"	569.325072	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Cl+HCOOH"	80.974872
"1321807"	591.307029	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Cl+NaCOOH"	102.956829
"913961"	601.335786	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M-H+CF3COOH"	112.985586
"1292127"	637.312464	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Cl+CF3COOH"	148.962264
"1370654"	453.337524	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H-2H2O"	-35.012676
"1383649"	471.3475	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H-H2O"	-17.0027
"283339"	977.707676	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+H"	1.007276
"677343"	1466.057876	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+H"	1.007276
"1357703"	489.357476	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H"	1.007276
"134966"	489.357476	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+2H"	2.014552
"579994"	733.532576	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+2H"	2.014552
"1049887"	245.182376	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2H"	2.014552
"213414"	326.574076	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+3H"	3.021828
"650788"	489.357476	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+3H"	3.021828
"1172193"	163.790676	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+3H"	3.021828
"433279"	994.734223	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+NH4"	18.033823
"796461"	1483.084423	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+NH4"	18.033823
"1693520"	506.384023	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+NH4"	18.033823
"338880"	497.8707495	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+H+NH4"	19.041099
"731304"	742.0458495	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+H+NH4"	19.041099
"1479660"	253.6956495	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H+NH4"	19.041099
"397245"	999.689618	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+Na"	22.989218
"757510"	1488.039818	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+Na"	22.989218
"1607431"	511.339418	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Na"	22.989218
"318563"	500.348447	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+H+Na"	23.996494
"710616"	744.523547	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+H+Na"	23.996494
"1464800"	256.173347	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H+Na"	23.996494
"1053022"	171.11799	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2H+Na"	25.00377
"1259724"	521.383686	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+CH3OH+H"	33.033486
"380485"	1015.663558	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+K"	38.963158
"739660"	1504.013758	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+K"	38.963158
"1540628"	527.313358	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+K"	38.963158
"305101"	508.335417	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+H+K"	39.970434
"695700"	752.510517	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+H+K"	39.970434
"1446361"	264.160317	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H+K"	39.970434
"238850"	1018.734226	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+ACN+H"	42.033826
"1212656"	530.384026	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+ACN+H"	42.033826
"1196901"	265.695651	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+ACN+2H"	43.041102
"189774"	1021.67156	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+2Na-H"	44.97116
"632983"	1510.02176	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+2Na-H"	44.97116
"1133572"	533.32136	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2Na-H"	44.97116
"179051"	511.339418	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+2Na"	45.978436
"617518"	755.514518	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+2Na"	45.978436
"1118837"	267.164318	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2Na"	45.978436
"1403819"	178.445304	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H+2Na"	46.985712
"1435938"	535.362946	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H+HCOOH"	47.012746
"226362"	516.37244	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+3H2O+2H"	56.04448
"1514425"	549.41499	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+IsoProp+H"	61.06479
"411559"	519.326388	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+Na+K"	61.952376
"771824"	763.501488	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+Na+K"	61.952376
"1668518"	275.151288	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Na+K"	61.952376
"252851"	1040.716168	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+ACN+Na"	64.015768
"1227746"	552.365968	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+ACN+Na"	64.015768
"1717003"	552.389493	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+NH4+HCOOH"	64.039293
"1179196"	185.772618	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+3Na"	68.967654
"1650911"	557.344888	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Na+HCOOH"	68.994688
"160569"	1053.61944	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+2K-H"	76.91904
"602319"	1541.96964	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+2K-H"	76.91904
"1094489"	565.26924	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2K-H"	76.91904
"146933"	527.313358	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"2M+2K"	77.926316
"586492"	771.488458	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"3M+2K"	77.926316
"1075378"	283.138258	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2K"	77.926316
"1111870"	567.283792	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2K+H"	78.933592
"1340601"	567.371407	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+DMSO+H"	79.021207
"1013503"	571.410576	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2ACN+H"	83.060376
"1532723"	572.404208	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+IsoProp+Na+H"	84.054008
"998079"	286.208926	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+2ACN+2H"	84.067652
"1589301"	573.318828	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+K+HCOOH"	84.968628
"1419336"	603.350338	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+H+CF3COOH"	115.000138
"1155091"	306.722201	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+3ACN+2H"	125.094202
"1703554"	620.376885	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+NH4+CF3COOH"	132.026685
"1635923"	625.33228	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+Na+CF3COOH"	136.98208
"1582514"	641.30622	"C17890"	"Euscaphic acid"	"C30H48O5"	"488.3502"	"M+K+CF3COOH"	152.95602
"814707"	430.3083	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M"	0
"988605"	411.28991	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-H2O-H"	-19.01839
"75751"	285.864924	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M-3H"	-3.021828
"513124"	429.301024	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M-3H"	-3.021828
"894208"	142.428824	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-3H"	-3.021828
"11690"	429.301024	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M-2H"	-2.014552
"452346"	644.455174	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M-2H"	-2.014552
"825771"	214.146874	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-2H"	-2.014552
"87953"	859.609324	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M-H"	-1.007276
"524234"	1289.917624	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M-H"	-1.007276
"905314"	429.301024	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-H"	-1.007276
"59688"	876.635871	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M-2H+NH4"	16.019271
"495969"	1306.944171	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M-2H+NH4"	16.019271
"875955"	446.327571	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-2H+NH4"	16.019271
"44587"	881.591266	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M-2H+Na"	20.974666
"476854"	1311.899566	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M-2H+Na"	20.974666
"859033"	451.282966	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-2H+Na"	20.974666
"1633307"	451.282966	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Na-2H"	20.974666
"107281"	447.289363	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M-H+Cl"	33.962126
"543560"	662.443513	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M-H+Cl"	33.962126
"933794"	232.135213	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-H+Cl"	33.962126
"273447"	895.586002	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+Cl"	34.969402
"663684"	1325.894302	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+Cl"	34.969402
"1276086"	465.277702	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Cl"	34.969402
"26297"	897.565206	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M-2H+K"	36.948606
"458201"	1327.873506	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M-2H+K"	36.948606
"839286"	467.256906	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-2H+K"	36.948606
"1562773"	467.256906	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+K-2H"	36.948606
"951749"	475.306494	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-H+HCOOH"	44.998194
"372150"	905.614801	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+HCOOH-H"	44.998201
"356036"	919.630451	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+Hac-H"	59.013851
"1502685"	489.322151	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Hac-H"	59.013851
"969130"	497.288451	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-H+NaCOOH"	66.980151
"111477"	465.277702	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+2Cl"	69.938804
"559782"	680.431852	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+2Cl"	69.938804
"1023113"	250.123552	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2Cl"	69.938804
"1242691"	509.227185	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Br"	78.918885
"1305255"	511.283172	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Cl+HCOOH"	80.974872
"1320335"	533.265129	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Cl+NaCOOH"	102.956829
"914071"	543.293886	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M-H+CF3COOH"	112.985586
"1291509"	579.270564	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Cl+CF3COOH"	148.962264
"1368089"	395.295624	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H-2H2O"	-35.012676
"1383885"	413.3056	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H-H2O"	-17.0027
"287946"	861.623876	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+H"	1.007276
"680367"	1291.932176	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+H"	1.007276
"1352705"	431.315576	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H"	1.007276
"130701"	431.315576	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+2H"	2.014552
"576826"	646.469726	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+2H"	2.014552
"1048905"	216.161426	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2H"	2.014552
"208057"	287.879476	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+3H"	3.021828
"653086"	431.315576	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+3H"	3.021828
"1166837"	144.443376	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+3H"	3.021828
"429016"	878.650423	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+NH4"	18.033823
"792197"	1308.958723	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+NH4"	18.033823
"1690714"	448.342123	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+NH4"	18.033823
"340083"	439.8288495	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+H+NH4"	19.041099
"728133"	654.9829995	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+H+NH4"	19.041099
"1479770"	224.6746995	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H+NH4"	19.041099
"394439"	883.605818	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+Na"	22.989218
"759443"	1313.914118	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+Na"	22.989218
"1604626"	453.297518	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Na"	22.989218
"315027"	442.306547	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+H+Na"	23.996494
"708905"	657.460697	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+H+Na"	23.996494
"1462481"	227.152397	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H+Na"	23.996494
"1053419"	151.77069	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2H+Na"	25.00377
"1257197"	463.341786	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+CH3OH+H"	33.033486
"377680"	899.579758	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+K"	38.963158
"738796"	1329.888058	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+K"	38.963158
"1540164"	469.271458	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+K"	38.963158
"305211"	450.293517	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+H+K"	39.970434
"695810"	665.447667	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+H+K"	39.970434
"1446350"	235.139367	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H+K"	39.970434
"237869"	902.650426	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+ACN+H"	42.033826
"1212766"	472.342126	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+ACN+H"	42.033826
"1198106"	236.674701	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+ACN+2H"	43.041102
"192801"	905.58776	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+2Na-H"	44.97116
"631635"	1335.89606	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+2Na-H"	44.97116
"1134046"	475.27946	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2Na-H"	44.97116
"178797"	453.297518	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+2Na"	45.978436
"616899"	668.451668	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+2Na"	45.978436
"1118947"	238.143368	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2Na"	45.978436
"1403567"	159.098004	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H+2Na"	46.985712
"1433128"	477.321046	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H+HCOOH"	47.012746
"224285"	458.33054	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+3H2O+2H"	56.04448
"1511982"	491.37309	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+H"	61.06479
"409847"	461.284488	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+Na+K"	61.952376
"770476"	676.438638	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+Na+K"	61.952376
"1665721"	246.130338	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Na+K"	61.952376
"251635"	924.632368	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+ACN+Na"	64.015768
"1226397"	494.324068	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+ACN+Na"	64.015768
"1716020"	494.347593	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+NH4+HCOOH"	64.039293
"1178817"	166.425318	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+3Na"	68.967654
"1650657"	499.302988	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Na+HCOOH"	68.994688
"161043"	937.53564	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+2K-H"	76.91904
"603522"	1367.84394	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+2K-H"	76.91904
"1090224"	507.22734	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2K-H"	76.91904
"148138"	469.271458	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"2M+2K"	77.926316
"585510"	684.425608	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"3M+2K"	77.926316
"1074395"	254.117308	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2K"	77.926316
"1110887"	509.241892	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2K+H"	78.933592
"1343991"	509.329507	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+DMSO+H"	79.021207
"1015800"	513.368676	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2ACN+H"	83.060376
"1531740"	514.362308	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+IsoProp+Na+H"	84.054008
"998189"	257.187976	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+2ACN+2H"	84.067652
"1589775"	515.276928	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+K+HCOOH"	84.968628
"1418353"	545.308438	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+H+CF3COOH"	115.000138
"1155202"	277.701251	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+3ACN+2H"	125.094202
"1704757"	562.334985	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+NH4+CF3COOH"	132.026685
"1636033"	567.29038	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+Na+CF3COOH"	136.98208
"1582624"	583.26432	"C17891"	"Cryptogenin;Kryptogenin"	"C27H42O4"	"430.3083"	"M+K+CF3COOH"	152.95602
"815179"	866.2058	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M"	0
"983245"	847.18741	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-H2O-H"	-19.01839
"74771"	576.463257333333	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M-3H"	-3.021828
"517496"	865.198524	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M-3H"	-3.021828
"893593"	287.727990666667	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-3H"	-3.021828
"14722"	865.198524	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M-2H"	-2.014552
"449177"	1298.301424	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M-2H"	-2.014552
"830867"	432.095624	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-2H"	-2.014552
"89158"	1731.404324	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M-H"	-1.007276
"528717"	2597.610124	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M-H"	-1.007276
"904334"	865.198524	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-H"	-1.007276
"53241"	1748.430871	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M-2H+NH4"	16.019271
"494986"	2614.636671	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M-2H+NH4"	16.019271
"870602"	882.225071	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-2H+NH4"	16.019271
"39594"	1753.386266	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M-2H+Na"	20.974666
"476968"	2619.592066	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M-2H+Na"	20.974666
"852218"	887.180466	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-2H+Na"	20.974666
"1626489"	887.180466	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Na-2H"	20.974666
"101923"	883.186863	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M-H+Cl"	33.962126
"544764"	1316.289763	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M-H+Cl"	33.962126
"932811"	450.083963	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-H+Cl"	33.962126
"271369"	1767.381002	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+Cl"	34.969402
"667076"	2633.586802	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+Cl"	34.969402
"1274738"	901.175202	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Cl"	34.969402
"20939"	1769.360206	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M-2H+K"	36.948606
"463782"	2635.566006	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M-2H+K"	36.948606
"842676"	903.154406	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-2H+K"	36.948606
"1559603"	903.154406	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+K-2H"	36.948606
"944205"	911.203994	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-H+HCOOH"	44.998194
"363878"	1777.409801	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+HCOOH-H"	44.998201
"357240"	1791.425451	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+Hac-H"	59.013851
"1501698"	925.219651	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Hac-H"	59.013851
"969240"	933.185951	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-H+NaCOOH"	66.980151
"122157"	901.175202	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+2Cl"	69.938804
"554425"	1334.278102	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+2Cl"	69.938804
"1026506"	468.072302	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2Cl"	69.938804
"1243163"	945.124685	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Br"	78.918885
"1305122"	947.180672	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Cl+HCOOH"	80.974872
"1324949"	969.162629	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Cl+NaCOOH"	102.956829
"920380"	979.191386	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M-H+CF3COOH"	112.985586
"1298181"	1015.168064	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Cl+CF3COOH"	148.962264
"1374155"	831.193124	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H-2H2O"	-35.012676
"1390558"	849.2031	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H-H2O"	-17.0027
"283233"	1733.418876	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+H"	1.007276
"675982"	2599.624676	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+H"	1.007276
"1352451"	867.213076	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H"	1.007276
"127531"	867.213076	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+2H"	2.014552
"569278"	1300.315976	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+2H"	2.014552
"1049015"	434.110176	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2H"	2.014552
"212543"	578.477809333333	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+3H"	3.021828
"654288"	867.213076	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+3H"	3.021828
"1170226"	289.742542666667	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+3H"	3.021828
"430218"	1750.445423	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+NH4"	18.033823
"794493"	2616.651223	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+NH4"	18.033823
"1688640"	884.239623	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+NH4"	18.033823
"333636"	875.7263495	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+H+NH4"	19.041099
"730432"	1308.8292495	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+H+NH4"	19.041099
"1478789"	442.6234495	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H+NH4"	19.041099
"394551"	1755.400818	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+Na"	22.989218
"755550"	2621.606618	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+Na"	22.989218
"1603566"	889.195018	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Na"	22.989218
"314773"	878.204047	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+H+Na"	23.996494
"708651"	1311.306947	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+H+Na"	23.996494
"1462109"	445.101147	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H+Na"	23.996494
"1053773"	297.069856666667	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2H+Na"	25.00377
"1257519"	899.239286	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+CH3OH+H"	33.033486
"377913"	1771.374758	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+K"	38.963158
"739515"	2637.580558	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+K"	38.963158
"1545229"	905.168958	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+K"	38.963158
"307514"	886.191017	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+H+K"	39.970434
"699934"	1319.293917	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+H+K"	39.970434
"1453753"	453.088117	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H+K"	39.970434
"242357"	1774.445426	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+ACN+H"	42.033826
"1215064"	908.239626	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+ACN+H"	42.033826
"1201502"	454.623451	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+ACN+2H"	43.041102
"196193"	1777.38276	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+2Na-H"	44.97116
"634297"	2643.58856	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+2Na-H"	44.97116
"1133064"	911.17696	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2Na-H"	44.97116
"178542"	889.195018	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+2Na"	45.978436
"619929"	1322.297918	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+2Na"	45.978436
"1122341"	456.092118	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2Na"	45.978436
"1400763"	304.397170666667	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H+2Na"	46.985712
"1432513"	913.218546	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H+HCOOH"	47.012746
"227678"	894.22804	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+3H2O+2H"	56.04448
"1509906"	927.27059	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+IsoProp+H"	61.06479
"408668"	897.181988	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+Na+K"	61.952376
"770216"	1330.284888	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+Na+K"	61.952376
"1667285"	464.079088	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Na+K"	61.952376
"251734"	1796.427368	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+ACN+Na"	64.015768
"1230892"	930.221568	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+ACN+Na"	64.015768
"1715765"	930.245093	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+NH4+HCOOH"	64.039293
"1179087"	311.724484666667	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+3Na"	68.967654
"1651741"	935.200488	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Na+HCOOH"	68.994688
"160796"	1809.33064	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+2K-H"	76.91904
"603638"	2675.53644	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+2K-H"	76.91904
"1095806"	943.12484	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2K-H"	76.91904
"147154"	905.168958	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"2M+2K"	77.926316
"595951"	1338.271858	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"3M+2K"	77.926316
"1077789"	472.066058	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2K"	77.926316
"1107719"	945.139392	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2K+H"	78.933592
"1347383"	945.227007	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+DMSO+H"	79.021207
"1018710"	949.266176	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2ACN+H"	83.060376
"1539267"	950.259808	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+IsoProp+Na+H"	84.054008
"1004986"	475.136726	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+2ACN+2H"	84.067652
"1602671"	951.174428	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+K+HCOOH"	84.968628
"1419561"	981.205938	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+H+CF3COOH"	115.000138
"1154223"	495.650001	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+3ACN+2H"	125.094202
"1704869"	998.232485	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+NH4+CF3COOH"	132.026685
"1635415"	1003.18788	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+Na+CF3COOH"	136.98208
"1572890"	1019.16182	"C17892"	"Arecatannin B1"	"C45H38O18"	"866.2058"	"M+K+CF3COOH"	152.95602
"809819"	1154.2692	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M"	0
"987365"	1135.25081	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-H2O-H"	-19.01839
"75973"	768.505524	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M-3H"	-3.021828
"516267"	1153.261924	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M-3H"	-3.021828
"891151"	383.749124	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-3H"	-3.021828
"11914"	1153.261924	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M-2H"	-2.014552
"448193"	1730.396524	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M-2H"	-2.014552
"830004"	576.127324	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-2H"	-2.014552
"84894"	2307.531124	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M-H"	-1.007276
"525547"	3461.800324	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M-H"	-1.007276
"899704"	1153.261924	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-H"	-1.007276
"51163"	2324.557671	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M-2H+NH4"	16.019271
"496188"	3478.826871	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M-2H+NH4"	16.019271
"870347"	1170.288471	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-2H+NH4"	16.019271
"34601"	2329.513066	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M-2H+Na"	20.974666
"479263"	3483.782266	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M-2H+Na"	20.974666
"854879"	1175.243866	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-2H+Na"	20.974666
"1629879"	1175.243866	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Na-2H"	20.974666
"102033"	1171.250263	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M-H+Cl"	33.962126
"539407"	1748.384863	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M-H+Cl"	33.962126
"930733"	594.115663	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-H+Cl"	33.962126
"270386"	2343.507802	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+Cl"	34.969402
"666093"	3497.777002	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+Cl"	34.969402
"1274118"	1189.238602	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Cl"	34.969402
"18862"	2345.487006	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M-2H+K"	36.948606
"463892"	3499.756206	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M-2H+K"	36.948606
"842786"	1191.217806	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-2H+K"	36.948606
"1559713"	1191.217806	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+K-2H"	36.948606
"944315"	1199.267394	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-H+HCOOH"	44.998194
"362895"	2353.536601	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+HCOOH-H"	44.998201
"352976"	2367.552251	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+Hac-H"	59.013851
"1501808"	1213.283051	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Hac-H"	59.013851
"967163"	1221.249351	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-H+NaCOOH"	66.980151
"120444"	1189.238602	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+2Cl"	69.938804
"558910"	1766.373202	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+2Cl"	69.938804
"1025157"	612.104002	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2Cl"	69.938804
"1242183"	1233.188085	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Br"	78.918885
"1307184"	1235.244072	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Cl+HCOOH"	80.974872
"1325059"	1257.226029	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Cl+NaCOOH"	102.956829
"920490"	1267.254786	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M-H+CF3COOH"	112.985586
"1298291"	1303.231464	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Cl+CF3COOH"	148.962264
"1374265"	1119.256524	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H-2H2O"	-35.012676
"1390668"	1137.2665	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H-H2O"	-17.0027
"283914"	2309.545676	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+H"	1.007276
"676700"	3463.814876	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+H"	1.007276
"1352925"	1155.276476	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H"	1.007276
"127641"	1155.276476	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+2H"	2.014552
"570481"	1732.411076	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+2H"	2.014552
"1044751"	578.141876	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2H"	2.014552
"210465"	770.520076	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+3H"	3.021828
"653304"	1155.276476	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+3H"	3.021828
"1167420"	385.763676	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+3H"	3.021828
"431421"	2326.572223	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+NH4"	18.033823
"797883"	3480.841423	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+NH4"	18.033823
"1689842"	1172.303023	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+NH4"	18.033823
"338120"	1163.7897495	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+H+NH4"	19.041099
"733822"	1740.9243495	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+H+NH4"	19.041099
"1488738"	586.6551495	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H+NH4"	19.041099
"397576"	2331.527618	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+Na"	22.989218
"754566"	3485.796818	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+Na"	22.989218
"1603388"	1177.258418	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Na"	22.989218
"315615"	1166.267447	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+H+Na"	23.996494
"708521"	1743.402047	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+H+Na"	23.996494
"1462951"	589.132847	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H+Na"	23.996494
"1053235"	393.09099	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2H+Na"	25.00377
"1257874"	1187.302686	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+CH3OH+H"	33.033486
"377703"	2347.501558	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+K"	38.963158
"739255"	3501.770758	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+K"	38.963158
"1546068"	1193.232358	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+K"	38.963158
"307624"	1174.254417	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+H+K"	39.970434
"697128"	1751.389017	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+H+K"	39.970434
"1451677"	597.119817	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H+K"	39.970434
"240644"	2350.572226	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+ACN+H"	42.033826
"1214445"	1196.303026	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+ACN+H"	42.033826
"1201612"	598.655151	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+ACN+2H"	43.041102
"194481"	2353.50956	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+2Na-H"	44.97116
"631125"	3507.77876	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+2Na-H"	44.97116
"1132201"	1199.24036	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2Na-H"	44.97116
"176100"	1177.258418	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+2Na"	45.978436
"618946"	1754.393018	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+2Na"	45.978436
"1122451"	600.123818	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2Na"	45.978436
"1401964"	400.418304	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H+2Na"	46.985712
"1432987"	1201.281946	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H+HCOOH"	47.012746
"225602"	1182.29144	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+3H2O+2H"	56.04448
"1510744"	1215.33399	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+IsoProp+H"	61.06479
"409335"	1185.245388	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+Na+K"	61.952376
"771056"	1762.379988	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+Na+K"	61.952376
"1666421"	608.110788	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Na+K"	61.952376
"251678"	2372.554168	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+ACN+Na"	64.015768
"1229543"	1218.284968	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+ACN+Na"	64.015768
"1714416"	1218.308493	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+NH4+HCOOH"	64.039293
"1178831"	407.745618	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+3Na"	68.967654
"1651123"	1223.263888	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Na+HCOOH"	68.994688
"163092"	2385.45744	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+2K-H"	76.91904
"604476"	3539.72664	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+2K-H"	76.91904
"1092634"	1231.18824	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2K-H"	76.91904
"146171"	1193.232358	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"2M+2K"	77.926316
"593387"	1770.366958	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"3M+2K"	77.926316
"1077899"	616.097758	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2K"	77.926316
"1104549"	1233.202792	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2K+H"	78.933592
"1345307"	1233.290407	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+DMSO+H"	79.021207
"1010558"	1237.329576	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2ACN+H"	83.060376
"1537431"	1238.323208	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+IsoProp+Na+H"	84.054008
"1004609"	619.168426	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+2ACN+2H"	84.067652
"1602392"	1239.237828	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+K+HCOOH"	84.968628
"1419671"	1269.269338	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+H+CF3COOH"	115.000138
"1154333"	639.681701	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+3ACN+2H"	125.094202
"1704979"	1286.295885	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+NH4+CF3COOH"	132.026685
"1635161"	1291.25128	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+Na+CF3COOH"	136.98208
"1573000"	1307.22522	"C17893"	"Arecatannin A2"	"C60H50O24"	"1154.2692"	"M+K+CF3COOH"	152.95602
"813209"	866.2058	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M"	0
"987839"	847.18741	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-H2O-H"	-19.01839
"78340"	576.463257333333	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M-3H"	-3.021828
"516376"	865.198524	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M-3H"	-3.021828
"893447"	287.727990666667	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-3H"	-3.021828
"13483"	865.198524	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M-2H"	-2.014552
"449397"	1298.301424	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M-2H"	-2.014552
"828293"	432.095624	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-2H"	-2.014552
"83910"	1731.404324	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M-H"	-1.007276
"527843"	2597.610124	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M-H"	-1.007276
"904554"	865.198524	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-H"	-1.007276
"52364"	1748.430871	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M-2H+NH4"	16.019271
"494476"	2614.636671	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M-2H+NH4"	16.019271
"868632"	882.225071	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-2H+NH4"	16.019271
"36168"	1753.386266	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M-2H+Na"	20.974666
"476093"	2619.592066	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M-2H+Na"	20.974666
"855353"	887.180466	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-2H+Na"	20.974666
"1625615"	887.180466	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Na-2H"	20.974666
"98862"	883.186863	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M-H+Cl"	33.962126
"539517"	1316.289763	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M-H+Cl"	33.962126
"930844"	450.083963	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-H+Cl"	33.962126
"269400"	1767.381002	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+Cl"	34.969402
"667295"	2633.586802	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+Cl"	34.969402
"1274229"	901.175202	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Cl"	34.969402
"18241"	1769.360206	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M-2H+K"	36.948606
"461815"	2635.566006	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M-2H+K"	36.948606
"836335"	903.154406	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-2H+K"	36.948606
"1562010"	903.154406	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+K-2H"	36.948606
"944425"	911.203994	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-H+HCOOH"	44.998194
"362397"	1777.409801	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+HCOOH-H"	44.998201
"351993"	1791.425451	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+Hac-H"	59.013851
"1497543"	925.219651	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Hac-H"	59.013851
"968366"	933.185951	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-H+NaCOOH"	66.980151
"123834"	901.175202	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+2Cl"	69.938804
"557927"	1334.278102	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+2Cl"	69.938804
"1027820"	468.072302	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2Cl"	69.938804
"1241566"	945.124685	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Br"	78.918885
"1305837"	947.180672	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Cl+HCOOH"	80.974872
"1325169"	969.162629	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Cl+NaCOOH"	102.956829
"921693"	979.191386	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M-H+CF3COOH"	112.985586
"1298401"	1015.168064	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Cl+CF3COOH"	148.962264
"1374375"	831.193124	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H-2H2O"	-35.012676
"1390778"	849.2031	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H-H2O"	-17.0027
"284997"	1733.418876	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+H"	1.007276
"681792"	2599.624676	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+H"	1.007276
"1353037"	867.213076	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H"	1.007276
"129937"	867.213076	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+2H"	2.014552
"571685"	1300.315976	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+2H"	2.014552
"1042671"	434.110176	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2H"	2.014552
"212762"	578.477809333333	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+3H"	3.021828
"653414"	867.213076	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+3H"	3.021828
"1169354"	289.742542666667	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+3H"	3.021828
"430439"	1750.445423	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+NH4"	18.033823
"797631"	2616.651223	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+NH4"	18.033823
"1687765"	884.239623	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+NH4"	18.033823
"337137"	875.7263495	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+H+NH4"	19.041099
"732839"	1308.8292495	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+H+NH4"	19.041099
"1488120"	442.6234495	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H+NH4"	19.041099
"394774"	1755.400818	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+Na"	22.989218
"755041"	2621.606618	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+Na"	22.989218
"1603259"	889.195018	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Na"	22.989218
"319003"	878.204047	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+H+Na"	23.996494
"709239"	1311.306947	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+H+Na"	23.996494
"1464149"	445.101147	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H+Na"	23.996494
"1054480"	297.069856666667	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2H+Na"	25.00377
"1259076"	899.239286	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+CH3OH+H"	33.033486
"377442"	1771.374758	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+K"	38.963158
"739166"	2637.580558	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+K"	38.963158
"1548364"	905.168958	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+K"	38.963158
"307734"	886.191017	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+H+K"	39.970434
"701247"	1319.293917	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+H+K"	39.970434
"1453973"	453.088117	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H+K"	39.970434
"242577"	1774.445426	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+ACN+H"	42.033826
"1216377"	908.239626	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+ACN+H"	42.033826
"1203543"	454.623451	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+ACN+2H"	43.041102
"196413"	1777.38276	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+2Na-H"	44.97116
"630869"	2643.58856	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+2Na-H"	44.97116
"1138024"	911.17696	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2Na-H"	44.97116
"179855"	889.195018	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+2Na"	45.978436
"621243"	1322.297918	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+2Na"	45.978436
"1122561"	456.092118	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2Na"	45.978436
"1406085"	304.397170666667	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H+2Na"	46.985712
"1438201"	913.218546	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H+HCOOH"	47.012746
"227898"	894.22804	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+3H2O+2H"	56.04448
"1512678"	927.27059	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+IsoProp+H"	61.06479
"410538"	897.181988	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+Na+K"	61.952376
"771897"	1330.284888	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+Na+K"	61.952376
"1672609"	464.079088	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Na+K"	61.952376
"253292"	1796.427368	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+ACN+Na"	64.015768
"1233298"	930.221568	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+ACN+Na"	64.015768
"1716714"	930.245093	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+NH4+HCOOH"	64.039293
"1179998"	311.724484666667	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+3Na"	68.967654
"1650869"	935.200488	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Na+HCOOH"	68.994688
"163202"	1809.33064	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+2K-H"	76.91904
"605678"	2675.53644	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+2K-H"	76.91904
"1091651"	943.12484	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2K-H"	76.91904
"146281"	905.168958	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"2M+2K"	77.926316
"594958"	1338.271858	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"3M+2K"	77.926316
"1079103"	472.066058	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2K"	77.926316
"1113165"	945.139392	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2K+H"	78.933592
"1344324"	945.227007	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+DMSO+H"	79.021207
"1019660"	949.266176	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2ACN+H"	83.060376
"1539491"	950.259808	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+IsoProp+Na+H"	84.054008
"1004599"	475.136726	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+2ACN+2H"	84.067652
"1602536"	951.174428	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+K+HCOOH"	84.968628
"1423062"	981.205938	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+H+CF3COOH"	115.000138
"1156630"	495.650001	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+3ACN+2H"	125.094202
"1707276"	998.232485	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+NH4+CF3COOH"	132.026685
"1636364"	1003.18788	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+Na+CF3COOH"	136.98208
"1574203"	1019.16182	"C17894"	"Arecatannin A1"	"C45H38O18"	"866.2058"	"M+K+CF3COOH"	152.95602
"814416"	1442.3326	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M"	0
"989851"	1423.31421	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-H2O-H"	-19.01839
"78547"	960.547790666667	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M-3H"	-3.021828
"517940"	1441.325324	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M-3H"	-3.021828
"893559"	479.770257333333	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-3H"	-3.021828
"13957"	1441.325324	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M-2H"	-2.014552
"452788"	2162.491624	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M-2H"	-2.014552
"832493"	720.159024	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-2H"	-2.014552
"88395"	2883.657924	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M-H"	-1.007276
"522486"	4325.990524	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M-H"	-1.007276
"907944"	1441.325324	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-H"	-1.007276
"53570"	2900.684471	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M-2H+NH4"	16.019271
"500782"	4343.017071	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M-2H+NH4"	16.019271
"877489"	1458.351871	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-2H+NH4"	16.019271
"39923"	2905.639866	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M-2H+Na"	20.974666
"476204"	4347.972466	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M-2H+Na"	20.974666
"854006"	1463.307266	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-2H+Na"	20.974666
"1630100"	1463.307266	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Na-2H"	20.974666
"102253"	1459.313663	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M-H+Cl"	33.962126
"546186"	2180.479963	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M-H+Cl"	33.962126
"930954"	738.147363	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-H+Cl"	33.962126
"269507"	2919.634602	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+Cl"	34.969402
"670687"	4361.967202	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+Cl"	34.969402
"1280902"	1477.302002	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Cl"	34.969402
"21272"	2921.613806	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M-2H+K"	36.948606
"458644"	4363.946406	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M-2H+K"	36.948606
"836445"	1479.281206	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-2H+K"	36.948606
"1563213"	1479.281206	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+K-2H"	36.948606
"948911"	1487.330794	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-H+HCOOH"	44.998194
"373687"	2929.663401	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+HCOOH-H"	44.998201
"357570"	2943.679051	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+Hac-H"	59.013851
"1499841"	1501.346451	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Hac-H"	59.013851
"972850"	1509.312751	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-H+NaCOOH"	66.980151
"121757"	1477.302002	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+2Cl"	69.938804
"559131"	2198.468302	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+2Cl"	69.938804
"1030117"	756.135702	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2Cl"	69.938804
"1242404"	1521.251485	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Br"	78.918885
"1305947"	1523.307472	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Cl+HCOOH"	80.974872
"1330747"	1545.289429	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Cl+NaCOOH"	102.956829
"920711"	1555.318186	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M-H+CF3COOH"	112.985586
"1295232"	1591.294864	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Cl+CF3COOH"	148.962264
"1370113"	1407.319924	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H-2H2O"	-35.012676
"1387608"	1425.3299	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H-H2O"	-17.0027
"288387"	2885.672476	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+H"	1.007276
"681902"	4328.005076	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+H"	1.007276
"1354968"	1443.339876	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H"	1.007276
"130047"	1443.339876	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+2H"	2.014552
"571794"	2164.506176	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+2H"	2.014552
"1043873"	722.173576	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2H"	2.014552
"210687"	962.562342666667	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+3H"	3.021828
"651341"	1443.339876	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+3H"	3.021828
"1170560"	481.784809333333	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+3H"	3.021828
"430913"	2902.699023	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+NH4"	18.033823
"794824"	4345.031623	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+NH4"	18.033823
"1686781"	1460.366423	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+NH4"	18.033823
"335062"	1451.8531495	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+H+NH4"	19.041099
"730764"	2173.0194495	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+H+NH4"	19.041099
"1488594"	730.6868495	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H+NH4"	19.041099
"394519"	2907.654418	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+Na"	22.989218
"757703"	4349.987018	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+Na"	22.989218
"1603979"	1465.321818	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Na"	22.989218
"314864"	1454.330847	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+H+Na"	23.996494
"708259"	2175.497147	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+H+Na"	23.996494
"1461709"	733.164547	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H+Na"	23.996494
"1056417"	489.112123333333	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2H+Na"	25.00377
"1257727"	1475.366086	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+CH3OH+H"	33.033486
"377275"	2923.628358	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+K"	38.963158
"738755"	4365.960958	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+K"	38.963158
"1549567"	1481.295758	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+K"	38.963158
"307844"	1462.317817	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+H+K"	39.970434
"702450"	2183.484117	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+H+K"	39.970434
"1452989"	741.151517	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H+K"	39.970434
"241591"	2926.699026	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+ACN+H"	42.033826
"1216486"	1484.366426	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+ACN+H"	42.033826
"1202560"	742.686851	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+ACN+2H"	43.041102
"196523"	2929.63636	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+2Na-H"	44.97116
"631709"	4371.96896	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+2Na-H"	44.97116
"1134119"	1487.30376	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2Na-H"	44.97116
"176677"	1465.321818	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+2Na"	45.978436
"617707"	2186.488118	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+2Na"	45.978436
"1123764"	744.155518	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2Na"	45.978436
"1406195"	496.439437333333	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H+2Na"	46.985712
"1433207"	1489.345346	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H+HCOOH"	47.012746
"223263"	1470.35484	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+3H2O+2H"	56.04448
"1512788"	1503.39739	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+IsoProp+H"	61.06479
"410284"	1473.308788	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+Na+K"	61.952376
"772371"	2194.475088	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+Na+K"	61.952376
"1672355"	752.142488	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Na+K"	61.952376
"253402"	2948.680968	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+ACN+Na"	64.015768
"1234502"	1506.348368	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+ACN+Na"	64.015768
"1717920"	1506.371893	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+NH4+HCOOH"	64.039293
"1181452"	503.766751333333	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+3Na"	68.967654
"1659729"	1511.327288	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Na+HCOOH"	68.994688
"165496"	2961.58424	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+2K-H"	76.91904
"607247"	4403.91684	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+2K-H"	76.91904
"1099299"	1519.25164	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2K-H"	76.91904
"156727"	1481.295758	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"2M+2K"	77.926316
"596525"	2202.462058	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"3M+2K"	77.926316
"1080306"	760.129458	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2K"	77.926316
"1115221"	1521.266192	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2K+H"	78.933592
"1349538"	1521.353807	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+DMSO+H"	79.021207
"1019891"	1525.392976	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2ACN+H"	83.060376
"1536557"	1526.386608	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+IsoProp+Na+H"	84.054008
"1004101"	763.200126	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+2ACN+2H"	84.067652
"1600427"	1527.301228	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+K+HCOOH"	84.968628
"1427547"	1557.332738	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+H+CF3COOH"	115.000138
"1158929"	783.713401	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+3ACN+2H"	125.094202
"1707386"	1574.359285	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+NH4+CF3COOH"	132.026685
"1643038"	1579.31468	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+Na+CF3COOH"	136.98208
"1575408"	1595.28862	"C17895"	"Arecatannin A3"	"C75H62O30"	"1442.3326"	"M+K+CF3COOH"	152.95602
"813429"	1442.3326	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M"	0
"989031"	1423.31421	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-H2O-H"	-19.01839
"77927"	960.547790666667	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M-3H"	-3.021828
"514772"	1441.325324	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M-3H"	-3.021828
"892575"	479.770257333333	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-3H"	-3.021828
"13703"	1441.325324	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M-2H"	-2.014552
"451804"	2162.491624	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M-2H"	-2.014552
"829605"	720.159024	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-2H"	-2.014552
"88506"	2883.657924	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M-H"	-1.007276
"523691"	4325.990524	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M-H"	-1.007276
"905867"	1441.325324	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-H"	-1.007276
"52587"	2900.684471	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M-2H+NH4"	16.019271
"496519"	4343.017071	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M-2H+NH4"	16.019271
"874319"	1458.351871	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-2H+NH4"	16.019271
"40033"	2905.639866	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M-2H+Na"	20.974666
"474854"	4347.972466	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M-2H+Na"	20.974666
"851928"	1463.307266	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-2H+Na"	20.974666
"1630938"	1463.307266	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Na-2H"	20.974666
"102363"	1459.313663	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M-H+Cl"	33.962126
"543016"	2180.479963	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M-H+Cl"	33.962126
"933250"	738.147363	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-H+Cl"	33.962126
"269253"	2919.634602	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+Cl"	34.969402
"670799"	4361.967202	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+Cl"	34.969402
"1281013"	1477.302002	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Cl"	34.969402
"21382"	2921.613806	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M-2H+K"	36.948606
"465315"	4363.946406	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M-2H+K"	36.948606
"839836"	1479.281206	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-2H+K"	36.948606
"1560043"	1479.281206	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+K-2H"	36.948606
"949021"	1487.330794	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-H+HCOOH"	44.998194
"372704"	2929.663401	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+HCOOH-H"	44.998201
"350026"	2943.679051	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+Hac-H"	59.013851
"1497764"	1501.346451	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Hac-H"	59.013851
"967493"	1509.312751	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-H+NaCOOH"	66.980151
"120774"	1477.302002	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+2Cl"	69.938804
"554867"	2198.468302	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+2Cl"	69.938804
"1024758"	756.135702	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2Cl"	69.938804
"1241402"	1521.251485	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Br"	78.918885
"1305693"	1523.307472	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Cl+HCOOH"	80.974872
"1327575"	1545.289429	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Cl+NaCOOH"	102.956829
"919727"	1555.318186	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M-H+CF3COOH"	112.985586
"1296436"	1591.294864	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Cl+CF3COOH"	148.962264
"1370223"	1407.319924	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H-2H2O"	-35.012676
"1387718"	1425.3299	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H-H2O"	-17.0027
"288497"	2885.672476	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+H"	1.007276
"680918"	4328.005076	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+H"	1.007276
"1352892"	1443.339876	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H"	1.007276
"129064"	1443.339876	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+2H"	2.014552
"569718"	2164.506176	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+2H"	2.014552
"1042890"	722.173576	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2H"	2.014552
"214078"	962.562342666667	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+3H"	3.021828
"654731"	1443.339876	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+3H"	3.021828
"1168843"	481.784809333333	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+3H"	3.021828
"429568"	2902.699023	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+NH4"	18.033823
"790926"	4345.031623	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+NH4"	18.033823
"1684708"	1460.366423	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+NH4"	18.033823
"332257"	1451.8531495	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+H+NH4"	19.041099
"730876"	2173.0194495	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+H+NH4"	19.041099
"1483602"	730.6868495	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H+NH4"	19.041099
"393170"	2907.654418	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+Na"	22.989218
"756719"	4349.987018	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+Na"	22.989218
"1604817"	1465.321818	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Na"	22.989218
"314309"	1454.330847	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+H+Na"	23.996494
"707099"	2175.497147	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+H+Na"	23.996494
"1461344"	733.164547	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H+Na"	23.996494
"1052851"	489.112123333333	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2H+Na"	25.00377
"1258929"	1475.366086	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+CH3OH+H"	33.033486
"377871"	2923.628358	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+K"	38.963158
"738905"	4365.960958	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+K"	38.963158
"1548584"	1481.295758	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+K"	38.963158
"309045"	1462.317817	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+H+K"	39.970434
"699279"	2183.484117	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+H+K"	39.970434
"1450912"	741.151517	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H+K"	39.970434
"239515"	2926.699026	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+ACN+H"	42.033826
"1214409"	1484.366426	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+ACN+H"	42.033826
"1202670"	742.686851	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+ACN+2H"	43.041102
"197726"	2929.63636	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+2Na-H"	44.97116
"634006"	4371.96896	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+2Na-H"	44.97116
"1133864"	1487.30376	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2Na-H"	44.97116
"175695"	1465.321818	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+2Na"	45.978436
"617452"	2186.488118	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+2Na"	45.978436
"1123874"	744.155518	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2Na"	45.978436
"1401926"	496.439437333333	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H+2Na"	46.985712
"1432955"	1489.345346	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H+HCOOH"	47.012746
"225931"	1470.35484	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+3H2O+2H"	56.04448
"1512901"	1503.39739	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+IsoProp+H"	61.06479
"410398"	1473.308788	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+Na+K"	61.952376
"771145"	2194.475088	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+Na+K"	61.952376
"1670279"	752.142488	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Na+K"	61.952376
"253148"	2948.680968	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+ACN+Na"	64.015768
"1233519"	1506.348368	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+ACN+Na"	64.015768
"1719124"	1506.371893	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+NH4+HCOOH"	64.039293
"1184480"	503.766751333333	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+3Na"	68.967654
"1657653"	1511.327288	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Na+HCOOH"	68.994688
"164513"	2961.58424	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+2K-H"	76.91904
"607357"	4403.91684	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+2K-H"	76.91904
"1099863"	1519.25164	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2K-H"	76.91904
"156225"	1481.295758	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"2M+2K"	77.926316
"596725"	2202.462058	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"3M+2K"	77.926316
"1083945"	760.129458	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2K"	77.926316
"1115536"	1521.266192	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2K+H"	78.933592
"1344543"	1521.353807	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+DMSO+H"	79.021207
"1017449"	1525.392976	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2ACN+H"	83.060376
"1539345"	1526.386608	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+IsoProp+Na+H"	84.054008
"1004820"	763.200126	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+2ACN+2H"	84.067652
"1599808"	1527.301228	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+K+HCOOH"	84.968628
"1426564"	1557.332738	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+H+CF3COOH"	115.000138
"1160132"	783.713401	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+3ACN+2H"	125.094202
"1707496"	1574.359285	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+NH4+CF3COOH"	132.026685
"1642055"	1579.31468	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+Na+CF3COOH"	136.98208
"1573696"	1595.28862	"C17896"	"Arecatannin B2"	"C75H62O30"	"1442.3326"	"M+K+CF3COOH"	152.95602
"811353"	866.2058	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M"	0
"980510"	847.18741	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-H2O-H"	-19.01839
"75317"	576.463257333333	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M-3H"	-3.021828
"513788"	865.198524	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M-3H"	-3.021828
"889405"	287.727990666667	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-3H"	-3.021828
"14542"	865.198524	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M-2H"	-2.014552
"451916"	1298.301424	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M-2H"	-2.014552
"830081"	432.095624	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-2H"	-2.014552
"93884"	1731.404324	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M-H"	-1.007276
"531821"	2597.610124	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M-H"	-1.007276
"907071"	865.198524	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-H"	-1.007276
"59866"	1748.430871	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M-2H+NH4"	16.019271
"501492"	2614.636671	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M-2H+NH4"	16.019271
"874796"	882.225071	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-2H+NH4"	16.019271
"44155"	1753.386266	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M-2H+Na"	20.974666
"476423"	2619.592066	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M-2H+Na"	20.974666
"855321"	887.180466	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-2H+Na"	20.974666
"1625947"	887.180466	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Na-2H"	20.974666
"101382"	883.186863	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M-H+Cl"	33.962126
"543129"	1316.289763	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M-H+Cl"	33.962126
"934457"	450.083963	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-H+Cl"	33.962126
"273013"	1767.381002	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+Cl"	34.969402
"672854"	2633.586802	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+Cl"	34.969402
"1281123"	901.175202	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Cl"	34.969402
"23679"	1769.360206	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M-2H+K"	36.948606
"462146"	2635.566006	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M-2H+K"	36.948606
"839947"	903.154406	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-2H+K"	36.948606
"1565622"	903.154406	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+K-2H"	36.948606
"952412"	911.203994	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-H+HCOOH"	44.998194
"371721"	1777.409801	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+HCOOH-H"	44.998201
"351229"	1791.425451	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+Hac-H"	59.013851
"1506259"	925.219651	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Hac-H"	59.013851
"971978"	933.185951	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-H+NaCOOH"	66.980151
"123073"	901.175202	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+2Cl"	69.938804
"565353"	1334.278102	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+2Cl"	69.938804
"1035806"	468.072302	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2Cl"	69.938804
"1246637"	945.124685	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Br"	78.918885
"1307994"	947.180672	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Cl+HCOOH"	80.974872
"1328779"	969.162629	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Cl+NaCOOH"	102.956829
"919837"	979.191386	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M-H+CF3COOH"	112.985586
"1298733"	1015.168064	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Cl+CF3COOH"	148.962264
"1372520"	831.193124	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H-2H2O"	-35.012676
"1391108"	849.2031	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H-H2O"	-17.0027
"287513"	1733.418876	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+H"	1.007276
"681028"	2599.624676	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+H"	1.007276
"1355190"	867.213076	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H"	1.007276
"130268"	867.213076	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+2H"	2.014552
"573106"	1300.315976	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+2H"	2.014552
"1046279"	434.110176	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2H"	2.014552
"216376"	578.477809333333	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+3H"	3.021828
"655934"	867.213076	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+3H"	3.021828
"1172965"	289.742542666667	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+3H"	3.021828
"434051"	1750.445423	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+NH4"	18.033823
"797232"	2616.651223	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+NH4"	18.033823
"1693565"	884.239623	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+NH4"	18.033823
"335283"	875.7263495	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+H+NH4"	19.041099
"732079"	1308.8292495	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+H+NH4"	19.041099
"1488086"	442.6234495	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H+NH4"	19.041099
"395105"	1755.400818	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+Na"	22.989218
"760109"	2621.606618	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+Na"	22.989218
"1607115"	889.195018	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Na"	22.989218
"322616"	878.204047	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+H+Na"	23.996494
"709572"	1311.306947	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+H+Na"	23.996494
"1464486"	445.101147	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H+Na"	23.996494
"1055178"	297.069856666667	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2H+Na"	25.00377
"1261592"	899.239286	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+CH3OH+H"	33.033486
"379075"	1771.374758	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+K"	38.963158
"742257"	2637.580558	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+K"	38.963158
"1549787"	905.168958	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+K"	38.963158
"304781"	886.191017	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+H+K"	39.970434
"696108"	1319.293917	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+H+K"	39.970434
"1451022"	453.088117	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H+K"	39.970434
"242905"	1774.445426	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+ACN+H"	42.033826
"1211603"	908.239626	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+ACN+H"	42.033826
"1201687"	454.623451	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+ACN+2H"	43.041102
"197837"	1777.38276	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+2Na-H"	44.97116
"634116"	2643.58856	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+2Na-H"	44.97116
"1132883"	911.17696	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2Na-H"	44.97116
"176172"	889.195018	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+2Na"	45.978436
"622665"	1322.297918	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+2Na"	45.978436
"1123984"	456.092118	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2Na"	45.978436
"1404227"	304.397170666667	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H+2Na"	46.985712
"1437439"	913.218546	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H+HCOOH"	47.012746
"226041"	894.22804	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+3H2O+2H"	56.04448
"1509731"	927.27059	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+IsoProp+H"	61.06479
"412697"	897.181988	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+Na+K"	61.952376
"772962"	1330.284888	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+Na+K"	61.952376
"1671118"	464.079088	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Na+K"	61.952376
"253987"	1796.427368	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+ACN+Na"	64.015768
"1234723"	930.221568	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+ACN+Na"	64.015768
"1721421"	930.245093	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+NH4+HCOOH"	64.039293
"1185683"	311.724484666667	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+3Na"	68.967654
"1658856"	935.200488	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Na+HCOOH"	68.994688
"167903"	1809.33064	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+2K-H"	76.91904
"609289"	2675.53644	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+2K-H"	76.91904
"1097695"	943.12484	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2K-H"	76.91904
"155363"	905.168958	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"2M+2K"	77.926316
"592733"	1338.271858	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"3M+2K"	77.926316
"1080526"	472.066058	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2K"	77.926316
"1111547"	945.139392	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2K+H"	78.933592
"1346841"	945.227007	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+DMSO+H"	79.021207
"1017559"	949.266176	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2ACN+H"	83.060376
"1532402"	950.259808	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+IsoProp+Na+H"	84.054008
"999944"	475.136726	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+2ACN+2H"	84.067652
"1597732"	951.174428	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+K+HCOOH"	84.968628
"1424487"	981.205938	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+H+CF3COOH"	115.000138
"1158057"	495.650001	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+3ACN+2H"	125.094202
"1704326"	998.232485	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+NH4+CF3COOH"	132.026685
"1642165"	1003.18788	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+Na+CF3COOH"	136.98208
"1576722"	1019.16182	"C17897"	"Arecatannin C1"	"C45H38O18"	"866.2058"	"M+K+CF3COOH"	152.95602
"813285"	339.1471	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M"	0
"989714"	320.12871	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"77256"	225.090790666667	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"514995"	338.139824	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"894260"	112.041757333333	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"11370"	338.139824	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"453851"	507.713374	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"828736"	168.566274	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"93100"	677.286924	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"527191"	1016.434024	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"907179"	338.139824	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"59365"	694.313471	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"497832"	1033.460571	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"872353"	355.166371	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"39891"	699.268866	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"477628"	1038.415966	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"852151"	360.121766	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1623871"	360.121766	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"104773"	356.128163	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"542148"	525.701713	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"934568"	186.554613	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"277501"	713.263602	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"668831"	1052.410702	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1283058"	374.116502	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"24882"	715.242806	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"464445"	1054.389906	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"842244"	376.095706	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1565733"	376.095706	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"954710"	384.145294	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"374019"	723.292401	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"358996"	737.308051	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1503453"	398.160951	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"970995"	406.127251	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"116623"	374.116502	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"563836"	543.690052	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1036961"	204.542952	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1252214"	418.065985	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1304577"	420.121972	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1325609"	442.103929	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"919947"	452.132686	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1295563"	488.109364	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1378098"	304.134424	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1387938"	322.1444	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"288720"	679.301476	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"682234"	1018.448576	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1353115"	340.154376	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"129285"	340.154376	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"578688"	509.727926	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1051382"	170.580826	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"211019"	227.105342666667	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"653857"	340.154376	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1171982"	114.056309333333	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"434160"	696.328023	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"791878"	1035.475123	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1688211"	357.180923	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"337584"	348.6676495	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"734016"	518.2411995	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1486013"	179.0940995	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"399226"	701.283418	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"759129"	1040.430518	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1611597"	362.136318	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"315440"	351.145347	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"707654"	520.718897	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1464597"	181.571797	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1061117"	121.383623333333	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1257818"	372.180586	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"378092"	717.257358	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"741646"	1056.404458	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1547711"	378.110258	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"304889"	359.132317	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"699499"	528.705867	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1452226"	189.558767	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"243015"	720.328026	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1216822"	381.180926	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1202890"	191.094101	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"195763"	723.26536	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"637510"	1062.41246	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1139921"	384.11826	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"179933"	362.136318	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"616577"	531.709868	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1124094"	192.562768	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1407619"	128.710937333333	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1439736"	386.159846	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"226151"	367.16934	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1516401"	400.21189	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"412807"	370.123288	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"772342"	539.696838	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1669041"	200.549738	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"256655"	742.309968	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1237022"	403.162868	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1726641"	403.186393	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1192356"	136.038251333333	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1663471"	408.141788	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"169112"	755.21324	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"609403"	1094.36034	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1098898"	416.06614	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"155470"	378.110258	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"591749"	547.683808	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1079540"	208.536708	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1114816"	418.080692	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1346950"	418.168307	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1015481"	422.207476	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1533604"	423.201108	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"1002241"	211.607376	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1594557"	424.115728	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1423497"	454.147238	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1153786"	232.120651	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1707716"	471.173785	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1642274"	476.12918	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1574643"	492.10312	"C17898"	"Sinactine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"813759"	329.1627	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M"	0
"989877"	310.14431	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-H2O-H"	-19.01839
"78358"	218.434524	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M-3H"	-3.021828
"518021"	328.155424	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M-3H"	-3.021828
"894002"	108.713624	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-3H"	-3.021828
"8199"	328.155424	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M-2H"	-2.014552
"447762"	492.736774	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M-2H"	-2.014552
"827751"	163.574074	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-2H"	-2.014552
"93782"	657.318124	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M-H"	-1.007276
"527300"	986.480824	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M-H"	-1.007276
"906194"	328.155424	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-H"	-1.007276
"56194"	674.344671	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M-2H+NH4"	16.019271
"497942"	1003.507371	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M-2H+NH4"	16.019271
"872463"	345.181971	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-2H+NH4"	16.019271
"41458"	679.300066	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M-2H+Na"	20.974666
"479924"	1008.462766	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M-2H+Na"	20.974666
"858821"	350.137366	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-2H+Na"	20.974666
"1623981"	350.137366	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Na-2H"	20.974666
"105976"	346.143763	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M-H+Cl"	33.962126
"542258"	510.725113	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M-H+Cl"	33.962126
"939052"	181.562413	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-H+Cl"	33.962126
"277611"	693.294802	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+Cl"	34.969402
"671127"	1022.457502	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+Cl"	34.969402
"1283531"	364.132102	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Cl"	34.969402
"28272"	695.274006	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M-2H+K"	36.948606
"466740"	1024.436706	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M-2H+K"	36.948606
"844541"	366.111306	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-2H+K"	36.948606
"1566936"	366.111306	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+K-2H"	36.948606
"957006"	374.160894	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-H+HCOOH"	44.998194
"376322"	703.323601	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+HCOOH-H"	44.998201
"360566"	717.339251	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+Hac-H"	59.013851
"1507209"	388.176551	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Hac-H"	59.013851
"971105"	396.142851	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-H+NaCOOH"	66.980151
"118919"	364.132102	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+2Cl"	69.938804
"559572"	528.713452	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+2Cl"	69.938804
"1035662"	199.550752	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2Cl"	69.938804
"1253417"	408.081585	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Br"	78.918885
"1306024"	410.137572	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Cl+HCOOH"	80.974872
"1331916"	432.119529	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Cl+NaCOOH"	102.956829
"924068"	442.148286	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M-H+CF3COOH"	112.985586
"1297859"	478.124964	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Cl+CF3COOH"	148.962264
"1381127"	294.150024	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H-2H2O"	-35.012676
"1391328"	312.16	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H-H2O"	-17.0027
"296850"	659.332676	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+H"	1.007276
"685624"	988.495376	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+H"	1.007276
"1357597"	330.169976	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H"	1.007276
"130123"	330.169976	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+2H"	2.014552
"578798"	494.751326	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+2H"	2.014552
"1046504"	165.588626	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2H"	2.014552
"214409"	220.449076	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+3H"	3.021828
"656154"	330.169976	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+3H"	3.021828
"1175008"	110.728176	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+3H"	3.021828
"434270"	676.359223	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+NH4"	18.033823
"795269"	1005.521923	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+NH4"	18.033823
"1688321"	347.196523	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+NH4"	18.033823
"337694"	338.6832495	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+H+NH4"	19.041099
"731210"	503.2645995	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+H+NH4"	19.041099
"1486123"	174.1018995	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H+NH4"	19.041099
"397148"	681.314618	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+Na"	22.989218
"760332"	1010.477318	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+Na"	22.989218
"1614624"	352.151918	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Na"	22.989218
"317373"	341.160947	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+H+Na"	23.996494
"708700"	505.742297	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+H+Na"	23.996494
"1471267"	176.579597	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H+Na"	23.996494
"1056859"	118.05549	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2H+Na"	25.00377
"1257322"	362.196186	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+CH3OH+H"	33.033486
"377837"	697.288558	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+K"	38.963158
"741756"	1026.451258	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+K"	38.963158
"1547820"	368.125858	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+K"	38.963158
"307183"	349.147917	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+H+K"	39.970434
"697421"	513.729267	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+H+K"	39.970434
"1450148"	184.566567	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H+K"	39.970434
"239844"	700.359226	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+ACN+H"	42.033826
"1218024"	371.196526	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+ACN+H"	42.033826
"1208226"	186.101901	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+ACN+2H"	43.041102
"202067"	703.29656	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+2Na-H"	44.97116
"634338"	1032.45926	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+2Na-H"	44.97116
"1141124"	374.13386	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2Na-H"	44.97116
"183322"	352.151918	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+2Na"	45.978436
"617416"	516.733268	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+2Na"	45.978436
"1120923"	187.570568	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2Na"	45.978436
"1402260"	125.382804	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H+2Na"	46.985712
"1433283"	376.175446	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H+HCOOH"	47.012746
"229541"	357.18494	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+3H2O+2H"	56.04448
"1516510"	390.22749	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+IsoProp+H"	61.06479
"414010"	360.138888	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+Na+K"	61.952376
"771478"	524.720238	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+Na+K"	61.952376
"1667690"	195.557538	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Na+K"	61.952376
"255671"	722.341168	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+ACN+Na"	64.015768
"1238953"	393.178468	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+ACN+Na"	64.015768
"1727928"	393.201993	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+NH4+HCOOH"	64.039293
"1193803"	132.710118	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+3Na"	68.967654
"1664308"	398.157388	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Na+HCOOH"	68.994688
"171408"	735.24444	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+2K-H"	76.91904
"609875"	1064.40714	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+2K-H"	76.91904
"1098764"	406.08174	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2K-H"	76.91904
"155459"	368.125858	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"2M+2K"	77.926316
"591857"	532.707208	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"3M+2K"	77.926316
"1081836"	203.544508	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2K"	77.926316
"1113953"	408.096292	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2K+H"	78.933592
"1348151"	408.183907	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+DMSO+H"	79.021207
"1014495"	412.223076	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2ACN+H"	83.060376
"1534806"	413.216708	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+IsoProp+Na+H"	84.054008
"1002351"	206.615176	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+2ACN+2H"	84.067652
"1594667"	414.131328	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+K+HCOOH"	84.968628
"1420326"	444.162838	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+H+CF3COOH"	115.000138
"1154989"	227.128451	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+3ACN+2H"	125.094202
"1707826"	461.189385	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+NH4+CF3COOH"	132.026685
"1645664"	466.14478	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+Na+CF3COOH"	136.98208
"1573660"	482.11872	"C17899"	"Isosinomenine"	"C19H23NO4"	"329.1627"	"M+K+CF3COOH"	152.95602
"816791"	152.0473	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M"	0
"988499"	133.02891	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"73464"	100.357590666667	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"506464"	151.040024	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"888637"	49.6751573333333	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"10495"	151.040024	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"450055"	227.063674	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"827857"	75.016374	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"90035"	303.087324	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"530688"	455.134624	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"907395"	151.040024	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"58490"	320.113871	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"500238"	472.161171	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"873666"	168.066571	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"43754"	325.069266	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"482221"	477.116566	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"861116"	173.021966	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1624089"	173.021966	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"106086"	169.028363	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"544554"	245.052013	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"936978"	93.004713	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"279910"	339.064002	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"669049"	491.111302	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1281451"	187.016702	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"28382"	341.043206	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"466850"	493.090506	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"844653"	188.995906	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1570327"	188.995906	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"957852"	197.045494	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"377027"	349.092801	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"357027"	363.108451	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1507683"	211.061151	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"973894"	219.027451	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"124496"	187.016702	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"565627"	263.040352	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1036137"	110.993052	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1255715"	230.966185	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1313788"	233.022172	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1334579"	255.004129	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"924539"	265.032886	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1301247"	301.009564	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1373941"	117.034624	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1393625"	135.0446	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"295499"	305.101876	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"690475"	457.149176	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1362082"	153.054576	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"130599"	153.054576	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"572347"	229.078226	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1051356"	77.030926	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"219260"	102.372142666667	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"658087"	153.054576	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1176576"	51.6897093333333	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"438027"	322.128423	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"799752"	474.175723	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1691711"	170.081123	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"343270"	161.5678495	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"729133"	237.5914995	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1482952"	85.5441995	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"396528"	327.083818	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"763720"	479.131118	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1606353"	175.036518	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"327687"	164.045547	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"720839"	240.069197	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1469188"	88.021897	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1054782"	59.0170233333333	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1257914"	185.080786	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"378677"	343.057758	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"739435"	495.105058	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1546836"	191.010458	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"306202"	172.032517	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"697529"	248.056167	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1449890"	96.008867	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"237033"	346.128426	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1218132"	194.081126	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1202014"	97.544201	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"194886"	349.06576	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"636635"	501.11306	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1142328"	197.01846	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"177966"	175.036518	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"617527"	251.060168	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1119569"	99.012868	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1400665"	66.3443373333333	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1432297"	199.060046	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"229650"	180.06954	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1516619"	213.11209	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"413390"	183.023488	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"776209"	259.047138	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1666344"	106.999838	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"255781"	368.110368	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1239678"	216.063068	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1727229"	216.086593	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1193796"	73.6716513333333	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1664175"	221.041988	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"172127"	381.01364	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"609987"	533.06094	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1097781"	228.96634	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"156789"	191.010458	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"591967"	267.034108	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1081825"	114.986808	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1114065"	230.980892	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1349233"	231.068507	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1020559"	235.107676	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1536010"	236.101308	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"1002461"	118.057476	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1595870"	237.015928	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1424810"	267.047438	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1160567"	138.570751	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1707936"	284.073985	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1639212"	289.02938	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1573041"	305.00332	"C17900"	"Menisdaurilide"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"812886"	426.3862	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M"	0
"988245"	407.36781	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"76490"	283.250190666667	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"512044"	425.378924	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"886563"	141.121457333333	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"9513"	425.378924	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"452353"	638.572024	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"830153"	212.185824	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"90144"	851.765124	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"529704"	1278.151324	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"910786"	425.378924	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"57507"	868.791671	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"500348"	1295.177871	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"878396"	442.405471	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"40584"	873.747066	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"480145"	1300.133266	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"855760"	447.360866	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1630761"	447.360866	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"104010"	443.367263	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"543571"	656.560363	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"940369"	230.174163	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"281478"	887.741802	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"675119"	1314.128002	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287278"	461.355602	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"29956"	889.721006	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"469881"	1316.107206	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"845857"	463.334806	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1569714"	463.334806	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"957882"	471.384394	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"377111"	897.770601	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"360422"	911.786251	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1508323"	485.400051	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"970964"	493.366351	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"125342"	461.355602	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"563802"	674.548702	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1036936"	248.162502	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1253639"	505.305085	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1310619"	507.361072	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1335598"	529.343029	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"924289"	539.371786	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1301726"	575.348464	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1381345"	391.373524	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1398116"	409.3835	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"296707"	853.779676	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"684750"	1280.165876	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1358911"	427.393476	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"129616"	427.393476	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"572457"	640.586576	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1049641"	214.200376	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"218639"	285.264742666667	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"653095"	427.393476	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1173406"	143.136009333333	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"435587"	870.806223	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"797676"	1297.192423	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1694376"	444.420023	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"337915"	435.9067495	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"728516"	649.0998495	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1478323"	222.7136495	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"398463"	875.761618	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"757272"	1302.147818	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1610835"	449.375418	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"324883"	438.384447	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"712199"	651.577547	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1466019"	225.191347	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1055981"	150.463323333333	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1260939"	459.419686	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"377657"	891.735558	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"739424"	1318.121758	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1542572"	465.349358	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"307406"	446.371417	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"694724"	659.564517	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1447449"	233.178317	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"236902"	894.806226	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1218241"	468.420026	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1199938"	234.713651	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"192809"	897.74356	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"633830"	1324.12976	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1138064"	471.35736	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"180264"	449.375418	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"618730"	662.568518	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1117616"	236.182318	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1402480"	157.790637333333	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1438971"	473.398946	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"228668"	454.40844	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1517823"	487.45099	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"415327"	457.362388	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"773039"	670.555488	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1680918"	244.169288	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"261361"	916.788168	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1241248"	490.401968	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1728065"	490.425493	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1193058"	165.117951333333	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1665015"	495.380888	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"172734"	929.69144	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"611924"	1356.07764	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1099353"	503.30524	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"156737"	465.349358	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"596866"	678.542458	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1083884"	252.156258	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1114785"	505.319792	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1347280"	505.407407	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1014717"	509.446576	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1536122"	510.440208	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1002571"	255.226926	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1598167"	511.354828	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1424920"	541.386338	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1160677"	275.740201	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1708046"	558.412885	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1639322"	563.36828	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1574973"	579.34222	"C17901"	"Simiarenol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"812996"	191.0946	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M"	0
"987262"	172.07621	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-H2O-H"	-19.01839
"74413"	126.389124	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M-3H"	-3.021828
"512152"	190.087324	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M-3H"	-3.021828
"885582"	62.690924	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-3H"	-3.021828
"7437"	190.087324	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M-2H"	-2.014552
"448089"	285.634624	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M-2H"	-2.014552
"824796"	94.540024	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-2H"	-2.014552
"86974"	381.181924	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M-H"	-1.007276
"526534"	572.276524	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M-H"	-1.007276
"907616"	190.087324	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-H"	-1.007276
"57617"	398.208471	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M-2H+NH4"	16.019271
"498271"	589.303071	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M-2H+NH4"	16.019271
"869515"	207.113871	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-2H+NH4"	16.019271
"34860"	403.163866	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M-2H+Na"	20.974666
"476974"	594.258466	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M-2H+Na"	20.974666
"853682"	212.069266	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-2H+Na"	20.974666
"1624310"	212.069266	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Na-2H"	20.974666
"99747"	208.075663	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M-H+Cl"	33.962126
"539307"	303.622963	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M-H+Cl"	33.962126
"938291"	112.528363	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-H+Cl"	33.962126
"277941"	417.158602	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+Cl"	34.969402
"673647"	608.253202	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+Cl"	34.969402
"1287955"	226.064002	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Cl"	34.969402
"30957"	419.137806	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M-2H+K"	36.948606
"469991"	610.232406	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M-2H+K"	36.948606
"844874"	228.043206	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-2H+K"	36.948606
"1569092"	228.043206	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+K-2H"	36.948606
"956613"	236.092794	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-H+HCOOH"	44.998194
"376777"	427.187401	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+HCOOH-H"	44.998201
"360168"	441.203051	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+Hac-H"	59.013851
"1506448"	250.108451	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Hac-H"	59.013851
"972777"	258.074751	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-H+NaCOOH"	66.980151
"124352"	226.064002	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+2Cl"	69.938804
"560996"	321.611302	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+2Cl"	69.938804
"1036358"	130.516702	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2Cl"	69.938804
"1250467"	270.013485	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Br"	78.918885
"1306356"	272.069472	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Cl+HCOOH"	80.974872
"1335375"	294.051429	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Cl+NaCOOH"	102.956829
"922575"	304.080186	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M-H+CF3COOH"	112.985586
"1298919"	340.056864	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Cl+CF3COOH"	148.962264
"1379267"	156.081924	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H-2H2O"	-35.012676
"1398297"	174.0919	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H-H2O"	-17.0027
"296449"	383.196476	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+H"	1.007276
"683767"	574.291076	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+H"	1.007276
"1357928"	192.101876	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H"	1.007276
"129358"	192.101876	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+2H"	2.014552
"571473"	287.649176	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+2H"	2.014552
"1050115"	96.554576	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2H"	2.014552
"217653"	128.403676	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+3H"	3.021828
"652112"	192.101876	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+3H"	3.021828
"1166957"	64.705476	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+3H"	3.021828
"429135"	400.223023	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+NH4"	18.033823
"790132"	591.317623	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+NH4"	18.033823
"1683548"	209.128423	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+NH4"	18.033823
"334743"	200.6151495	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+H+NH4"	19.041099
"728262"	296.1624495	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+H+NH4"	19.041099
"1477706"	105.0678495	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H+NH4"	19.041099
"397480"	405.178418	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+Na"	22.989218
"756289"	596.273018	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+Na"	22.989218
"1602811"	214.083818	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Na"	22.989218
"316609"	203.092847	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+H+Na"	23.996494
"707811"	298.640147	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+H+Na"	23.996494
"1465034"	107.545547	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H+Na"	23.996494
"1053539"	72.03279	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2H+Na"	25.00377
"1258132"	224.128086	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+CH3OH+H"	33.033486
"377555"	421.152358	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+K"	38.963158
"738578"	612.246958	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+K"	38.963158
"1540123"	230.057758	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+K"	38.963158
"304236"	211.079817	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+H+K"	39.970434
"696656"	306.627117	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+H+K"	39.970434
"1446828"	115.532517	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H+K"	39.970434
"236890"	424.223026	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+ACN+H"	42.033826
"1212515"	233.128426	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+ACN+H"	42.033826
"1197130"	117.067851	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+ACN+2H"	43.041102
"192919"	427.16036	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+2Na-H"	44.97116
"628914"	618.25496	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+2Na-H"	44.97116
"1134894"	236.06576	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2Na-H"	44.97116
"179281"	214.083818	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+2Na"	45.978436
"617747"	309.631118	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+2Na"	45.978436
"1117237"	118.536518	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2Na"	45.978436
"1401497"	79.360104	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H+2Na"	46.985712
"1433615"	238.107346	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H+HCOOH"	47.012746
"224405"	219.11684	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+3H2O+2H"	56.04448
"1515747"	252.15939	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+IsoProp+H"	61.06479
"411424"	222.070788	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+Na+K"	61.952376
"770963"	317.618088	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+Na+K"	61.952376
"1672763"	126.523488	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Na+K"	61.952376
"260377"	446.204968	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+ACN+Na"	64.015768
"1241270"	255.110368	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+ACN+Na"	64.015768
"1727809"	255.133893	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+NH4+HCOOH"	64.039293
"1192803"	86.687418	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+3Na"	68.967654
"1665003"	260.089288	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Na+HCOOH"	68.994688
"172227"	459.10824	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+2K-H"	76.91904
"611301"	650.20284	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+2K-H"	76.91904
"1098610"	268.01364	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2K-H"	76.91904
"157036"	230.057758	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"2M+2K"	77.926316
"595347"	325.605058	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"3M+2K"	77.926316
"1083749"	134.510458	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2K"	77.926316
"1115016"	270.028192	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2K+H"	78.933592
"1345204"	270.115807	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+DMSO+H"	79.021207
"1018107"	274.154976	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2ACN+H"	83.060376
"1534046"	275.148608	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+IsoProp+Na+H"	84.054008
"1000495"	137.581126	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+2ACN+2H"	84.067652
"1598277"	276.063228	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+K+HCOOH"	84.968628
"1426123"	306.094738	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+H+CF3COOH"	115.000138
"1157507"	158.094401	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+3ACN+2H"	125.094202
"1703782"	323.121285	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+NH4+CF3COOH"	132.026685
"1636152"	328.07668	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+Na+CF3COOH"	136.98208
"1571306"	344.05062	"C17902"	"Ephedroxane"	"C11H13NO2"	"191.0946"	"M+K+CF3COOH"	152.95602
"813106"	179.131	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M"	0
"987372"	160.11261	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-H2O-H"	-19.01839
"72701"	118.413390666667	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M-3H"	-3.021828
"508981"	178.123724	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M-3H"	-3.021828
"884599"	58.7030573333333	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-3H"	-3.021828
"7546"	178.123724	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M-2H"	-2.014552
"444918"	267.689224	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M-2H"	-2.014552
"824905"	88.558224	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-2H"	-2.014552
"83804"	357.254724	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M-H"	-1.007276
"523362"	536.385724	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M-H"	-1.007276
"904445"	178.123724	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-H"	-1.007276
"53353"	374.281271	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M-2H+NH4"	16.019271
"497287"	553.412271	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M-2H+NH4"	16.019271
"872903"	195.150271	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-2H+NH4"	16.019271
"35698"	379.236666	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M-2H+Na"	20.974666
"475261"	558.367666	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M-2H+Na"	20.974666
"853792"	200.105666	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-2H+Na"	20.974666
"1624421"	200.105666	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Na-2H"	20.974666
"98763"	196.112063	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M-H+Cl"	33.962126
"539417"	285.677563	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M-H+Cl"	33.962126
"937308"	106.546563	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-H+Cl"	33.962126
"277687"	393.231402	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+Cl"	34.969402
"672664"	572.362402	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+Cl"	34.969402
"1286160"	214.100402	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Cl"	34.969402
"29811"	395.210606	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M-2H+K"	36.948606
"470103"	574.341606	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M-2H+K"	36.948606
"846081"	216.079606	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-2H+K"	36.948606
"1568476"	216.079606	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+K-2H"	36.948606
"958386"	224.129194	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-H+HCOOH"	44.998194
"376848"	403.260201	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+HCOOH-H"	44.998201
"360157"	417.275851	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+Hac-H"	59.013851
"1506558"	238.144851	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Hac-H"	59.013851
"973373"	246.111151	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-H+NaCOOH"	66.980151
"123370"	214.100402	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+2Cl"	69.938804
"562928"	303.665902	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+2Cl"	69.938804
"1035376"	124.534902	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2Cl"	69.938804
"1256168"	258.049885	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Br"	78.918885
"1306464"	260.105872	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Cl+HCOOH"	80.974872
"1334912"	282.087829	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Cl+NaCOOH"	102.956829
"920498"	292.116586	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M-H+CF3COOH"	112.985586
"1297208"	328.093264	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Cl+CF3COOH"	148.962264
"1379013"	144.118324	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H-2H2O"	-35.012676
"1397607"	162.1283	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H-H2O"	-17.0027
"296564"	359.269276	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+H"	1.007276
"689346"	538.400276	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+H"	1.007276
"1356944"	180.138276	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H"	1.007276
"129104"	180.138276	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+2H"	2.014552
"570490"	269.703776	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+2H"	2.014552
"1049133"	90.572776	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2H"	2.014552
"217763"	120.427942666667	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+3H"	3.021828
"653315"	180.138276	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+3H"	3.021828
"1168160"	60.7176093333333	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+3H"	3.021828
"431432"	376.295823	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+NH4"	18.033823
"789149"	555.426823	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+NH4"	18.033823
"1684387"	197.164823	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+NH4"	18.033823
"334853"	188.6515495	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+H+NH4"	19.041099
"728372"	278.2170495	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+H+NH4"	19.041099
"1477693"	99.0860495	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H+NH4"	19.041099
"396497"	381.251218	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+Na"	22.989218
"758587"	560.382218	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+Na"	22.989218
"1602797"	202.120218	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Na"	22.989218
"316719"	191.129247	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+H+Na"	23.996494
"707553"	280.694747	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+H+Na"	23.996494
"1462471"	101.563747	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H+Na"	23.996494
"1054132"	68.0449233333333	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2H+Na"	25.00377
"1258849"	212.164486	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+CH3OH+H"	33.033486
"378030"	397.225158	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+K"	38.963158
"739268"	576.356158	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+K"	38.963158
"1540599"	218.094158	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+K"	38.963158
"302882"	199.116217	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+H+K"	39.970434
"693482"	288.681717	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+H+K"	39.970434
"1447667"	109.550717	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H+K"	39.970434
"236753"	400.295826	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+ACN+H"	42.033826
"1211164"	221.164826	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+ACN+H"	42.033826
"1197240"	111.086051	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+ACN+2H"	43.041102
"192300"	403.23316	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+2Na-H"	44.97116
"630037"	582.36416	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+2Na-H"	44.97116
"1132122"	224.10216	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2Na-H"	44.97116
"180484"	202.120218	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+2Na"	45.978436
"615669"	291.685718	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+2Na"	45.978436
"1117714"	112.554718	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2Na"	45.978436
"1400138"	75.3722373333333	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H+2Na"	46.985712
"1432631"	226.143746	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H+HCOOH"	47.012746
"223419"	207.15324	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+3H2O+2H"	56.04448
"1511117"	240.19579	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+IsoProp+H"	61.06479
"410438"	210.107188	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+Na+K"	61.952376
"770828"	299.672688	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+Na+K"	61.952376
"1669593"	120.541688	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Na+K"	61.952376
"260487"	422.277768	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+ACN+Na"	64.015768
"1240856"	243.146768	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+ACN+Na"	64.015768
"1726826"	243.170293	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+NH4+HCOOH"	64.039293
"1191818"	82.6995513333333	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+3Na"	68.967654
"1661710"	248.125688	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Na+HCOOH"	68.994688
"172699"	435.18104	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+2K-H"	76.91904
"611410"	614.31204	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+2K-H"	76.91904
"1098111"	256.05004	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2K-H"	76.91904
"154927"	218.094158	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"2M+2K"	77.926316
"595579"	307.659658	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"3M+2K"	77.926316
"1082279"	128.528658	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2K"	77.926316
"1115495"	258.064592	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2K+H"	78.933592
"1345313"	258.152207	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+DMSO+H"	79.021207
"1018217"	262.191376	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2ACN+H"	83.060376
"1536342"	263.185008	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+IsoProp+Na+H"	84.054008
"1001698"	131.599326	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+2ACN+2H"	84.067652
"1601669"	264.099628	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+K+HCOOH"	84.968628
"1426233"	294.131138	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+H+CF3COOH"	115.000138
"1157617"	152.112601	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+3ACN+2H"	125.094202
"1698424"	311.157685	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+NH4+CF3COOH"	132.026685
"1636261"	316.11308	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+Na+CF3COOH"	136.98208
"1571357"	332.08702	"C17903"	"()-N-Methylpseudoephedrine"	"C11H17NO"	"179.131"	"M+K+CF3COOH"	152.95602
"813216"	213.1001	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M"	0
"987482"	194.08171	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-H2O-H"	-19.01839
"70625"	141.059457333333	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M-3H"	-3.021828
"512373"	212.092824	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M-3H"	-3.021828
"885803"	70.0260906666667	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-3H"	-3.021828
"4376"	212.092824	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M-2H"	-2.014552
"447216"	318.642874	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M-2H"	-2.014552
"823922"	105.542774	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-2H"	-2.014552
"82820"	425.192924	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M-H"	-1.007276
"522378"	638.293024	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M-H"	-1.007276
"899451"	212.092824	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-H"	-1.007276
"53463"	442.219471	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M-2H+NH4"	16.019271
"492293"	655.319571	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M-2H+NH4"	16.019271
"871920"	229.119371	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-2H+NH4"	16.019271
"39820"	447.174866	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M-2H+Na"	20.974666
"475006"	660.274966	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M-2H+Na"	20.974666
"853901"	234.074766	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-2H+Na"	20.974666
"1625622"	234.074766	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Na-2H"	20.974666
"104340"	230.081163	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M-H+Cl"	33.962126
"543902"	336.631213	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M-H+Cl"	33.962126
"934137"	123.531113	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-H+Cl"	33.962126
"278161"	461.169602	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+Cl"	34.969402
"667305"	674.269702	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+Cl"	34.969402
"1284080"	248.069502	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Cl"	34.969402
"26637"	463.148806	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M-2H+K"	36.948606
"468751"	676.248906	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M-2H+K"	36.948606
"846553"	250.048706	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-2H+K"	36.948606
"1568946"	250.048706	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+K-2H"	36.948606
"957685"	258.098294	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-H+HCOOH"	44.998194
"376138"	471.198401	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+HCOOH-H"	44.998201
"360874"	485.214051	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+Hac-H"	59.013851
"1503019"	272.113951	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Hac-H"	59.013851
"973568"	280.080251	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-H+NaCOOH"	66.980151
"125307"	248.069502	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+2Cl"	69.938804
"559028"	354.619552	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+2Cl"	69.938804
"1034387"	141.519452	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2Cl"	69.938804
"1254332"	292.018985	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Br"	78.918885
"1315320"	294.074972	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Cl+HCOOH"	80.974872
"1322976"	316.056929	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Cl+NaCOOH"	102.956829
"919515"	326.085686	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M-H+CF3COOH"	112.985586
"1296223"	362.062364	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Cl+CF3COOH"	148.962264
"1379487"	178.087424	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H-2H2O"	-35.012676
"1396258"	196.0974	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H-H2O"	-17.0027
"294847"	427.207476	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+H"	1.007276
"686175"	640.307576	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+H"	1.007276
"1355231"	214.107376	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H"	1.007276
"133220"	214.107376	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+2H"	2.014552
"572052"	320.657426	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+2H"	2.014552
"1049971"	107.557326	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2H"	2.014552
"214957"	143.074009333333	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+3H"	3.021828
"652332"	214.107376	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+3H"	3.021828
"1166085"	72.0406426666667	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+3H"	3.021828
"430449"	444.234023	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+NH4"	18.033823
"790352"	657.334123	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+NH4"	18.033823
"1685591"	231.133923	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+NH4"	18.033823
"338243"	222.6206495	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+H+NH4"	19.041099
"728482"	329.1706995	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+H+NH4"	19.041099
"1480116"	116.0705995	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H+NH4"	19.041099
"403168"	449.189418	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+Na"	22.989218
"761978"	662.289518	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+Na"	22.989218
"1603626"	236.089318	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Na"	22.989218
"316463"	225.098347	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+H+Na"	23.996494
"708638"	331.648397	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+H+Na"	23.996494
"1465255"	118.548297	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H+Na"	23.996494
"1053636"	79.3679566666667	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2H+Na"	25.00377
"1257987"	246.133586	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+CH3OH+H"	33.033486
"378262"	465.163358	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+K"	38.963158
"739621"	678.263458	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+K"	38.963158
"1540261"	252.063258	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+K"	38.963158
"300440"	233.085317	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+H+K"	39.970434
"693592"	339.635367	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+H+K"	39.970434
"1445948"	126.535267	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H+K"	39.970434
"236496"	468.234026	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+ACN+H"	42.033826
"1211760"	255.133926	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+ACN+H"	42.033826
"1198078"	128.070601	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+ACN+2H"	43.041102
"192408"	471.17136	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+2Na-H"	44.97116
"631604"	684.27146	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+2Na-H"	44.97116
"1134013"	258.07126	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2Na-H"	44.97116
"176580"	236.089318	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+2Na"	45.978436
"616507"	342.639368	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+2Na"	45.978436
"1117096"	129.539268	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2Na"	45.978436
"1400249"	86.6952706666667	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H+2Na"	46.985712
"1432741"	260.112846	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H+HCOOH"	47.012746
"222070"	241.12234	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+3H2O+2H"	56.04448
"1509079"	274.16489	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+IsoProp+H"	61.06479
"408963"	244.076288	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+Na+K"	61.952376
"770246"	350.626338	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+Na+K"	61.952376
"1669703"	137.526238	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Na+K"	61.952376
"257315"	490.215968	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+ACN+Na"	64.015768
"1239873"	277.115868	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+ACN+Na"	64.015768
"1727423"	277.139393	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+NH4+HCOOH"	64.039293
"1192295"	94.0225846666667	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+3Na"	68.967654
"1663278"	282.094788	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Na+HCOOH"	68.994688
"172289"	503.11924	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+2K-H"	76.91904
"611521"	716.21934	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+2K-H"	76.91904
"1097857"	290.01914	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2K-H"	76.91904
"153944"	252.063258	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"2M+2K"	77.926316
"596997"	358.613308	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"3M+2K"	77.926316
"1083001"	145.513208	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2K"	77.926316
"1115322"	292.033692	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2K+H"	78.933592
"1344331"	292.121307	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+DMSO+H"	79.021207
"1019059"	296.160476	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2ACN+H"	83.060376
"1536454"	297.154108	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+IsoProp+Na+H"	84.054008
"1000715"	148.583876	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+2ACN+2H"	84.067652
"1601416"	298.068728	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+K+HCOOH"	84.968628
"1425250"	328.100238	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+H+CF3COOH"	115.000138
"1156634"	169.097151	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+3ACN+2H"	125.094202
"1698533"	345.126785	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+NH4+CF3COOH"	132.026685
"1639653"	350.08218	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+Na+CF3COOH"	136.98208
"1574212"	366.05612	"C17904"	"alpha-Allokainic acid"	"C10H15NO4"	"213.1001"	"M+K+CF3COOH"	152.95602
"813326"	594.2002	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M"	0
"989052"	575.18181	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-H2O-H"	-19.01839
"73650"	395.126190666667	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M-3H"	-3.021828
"508110"	593.192924	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M-3H"	-3.021828
"887006"	197.059457333333	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-3H"	-3.021828
"6673"	593.192924	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M-2H"	-2.014552
"448419"	890.293024	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M-2H"	-2.014552
"825125"	296.092824	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-2H"	-2.014552
"87303"	1187.393124	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M-H"	-1.007276
"526862"	1781.593324	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M-H"	-1.007276
"905757"	593.192924	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-H"	-1.007276
"61226"	1204.419671	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M-2H+NH4"	16.019271
"495319"	1798.619871	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M-2H+NH4"	16.019271
"872030"	610.219471	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-2H+NH4"	16.019271
"42117"	1209.375066	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M-2H+Na"	20.974666
"475116"	1803.575266	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M-2H+Na"	20.974666
"852918"	615.174866	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-2H+Na"	20.974666
"1622451"	615.174866	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Na-2H"	20.974666
"103355"	611.181263	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M-H+Cl"	33.962126
"547289"	908.281363	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M-H+Cl"	33.962126
"941779"	314.081163	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-H+Cl"	33.962126
"278271"	1223.369802	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+Cl"	34.969402
"671788"	1817.570002	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+Cl"	34.969402
"1284190"	629.169602	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Cl"	34.969402
"26747"	1225.349006	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M-2H+K"	36.948606
"470682"	1819.549206	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M-2H+K"	36.948606
"846662"	631.148806	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-2H+K"	36.948606
"1569419"	631.148806	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+K-2H"	36.948606
"957305"	639.198394	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-H+HCOOH"	44.998194
"374424"	1233.398601	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+HCOOH-H"	44.998201
"359402"	1247.414251	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+Hac-H"	59.013851
"1504222"	653.214051	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Hac-H"	59.013851
"966298"	661.180351	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-H+NaCOOH"	66.980151
"125536"	629.169602	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+2Cl"	69.938804
"560230"	926.269702	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+2Cl"	69.938804
"1032310"	332.069502	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2Cl"	69.938804
"1255414"	673.119085	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Br"	78.918885
"1317616"	675.175072	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Cl+HCOOH"	80.974872
"1321262"	697.157029	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Cl+NaCOOH"	102.956829
"912691"	707.185786	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M-H+CF3COOH"	112.985586
"1295239"	743.162464	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Cl+CF3COOH"	148.962264
"1376316"	559.187524	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H-2H2O"	-35.012676
"1386886"	577.1975	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H-H2O"	-17.0027
"294229"	1189.407676	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+H"	1.007276
"684098"	1783.607876	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+H"	1.007276
"1356069"	595.207476	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H"	1.007276
"130414"	595.207476	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+2H"	2.014552
"572161"	892.307576	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+2H"	2.014552
"1046071"	298.107376	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2H"	2.014552
"213609"	397.140742666667	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+3H"	3.021828
"651348"	595.207476	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+3H"	3.021828
"1166557"	199.074009333333	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+3H"	3.021828
"429465"	1206.434223	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+NH4"	18.033823
"790461"	1800.634423	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+NH4"	18.033823
"1684240"	612.234023	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+NH4"	18.033823
"335073"	603.7207495	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+H+NH4"	19.041099
"728589"	900.8208495	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+H+NH4"	19.041099
"1480226"	306.6206495	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H+NH4"	19.041099
"399998"	1211.389618	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+Na"	22.989218
"762088"	1805.589818	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+Na"	22.989218
"1605443"	617.189418	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Na"	22.989218
"316573"	606.198447	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+H+Na"	23.996494
"709720"	903.298547	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+H+Na"	23.996494
"1463539"	309.098347	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H+Na"	23.996494
"1053300"	206.401323333333	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2H+Na"	25.00377
"1257489"	627.233686	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+CH3OH+H"	33.033486
"377398"	1227.363558	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+K"	38.963158
"739083"	1821.563758	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+K"	38.963158
"1541185"	633.163358	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+K"	38.963158
"300549"	614.185417	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+H+K"	39.970434
"692974"	911.285517	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+H+K"	39.970434
"1446427"	317.085317	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H+K"	39.970434
"237218"	1230.434226	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+ACN+H"	42.033826
"1211750"	636.234026	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+ACN+H"	42.033826
"1198919"	318.620651	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+ACN+2H"	43.041102
"192518"	1233.37156	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+2Na-H"	44.97116
"631351"	1827.57176	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+2Na-H"	44.97116
"1134491"	639.17136	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2Na-H"	44.97116
"174503"	617.189418	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+2Na"	45.978436
"614792"	914.289518	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+2Na"	45.978436
"1117692"	320.089318	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2Na"	45.978436
"1399630"	213.728637333333	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H+2Na"	46.985712
"1430298"	641.212946	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H+HCOOH"	47.012746
"223639"	622.22244	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+3H2O+2H"	56.04448
"1508898"	655.26499	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+IsoProp+H"	61.06479
"409316"	625.176388	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+Na+K"	61.952376
"772019"	922.276488	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+Na+K"	61.952376
"1669813"	328.076288	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Na+K"	61.952376
"257425"	1252.416168	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+ACN+Na"	64.015768
"1239617"	658.215968	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+ACN+Na"	64.015768
"1728278"	658.239493	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+NH4+HCOOH"	64.039293
"1193129"	221.055951333333	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+3Na"	68.967654
"1665294"	663.194888	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Na+HCOOH"	68.994688
"172439"	1265.31944	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+2K-H"	76.91904
"610538"	1859.51964	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+2K-H"	76.91904
"1098331"	671.11924	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2K-H"	76.91904
"154054"	633.163358	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"2M+2K"	77.926316
"596782"	930.263458	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"3M+2K"	77.926316
"1083592"	336.063258	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2K"	77.926316
"1115350"	673.133792	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2K+H"	78.933592
"1348815"	673.221407	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+DMSO+H"	79.021207
"1020020"	677.260576	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2ACN+H"	83.060376
"1536564"	678.254208	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+IsoProp+Na+H"	84.054008
"1001918"	339.133926	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+2ACN+2H"	84.067652
"1599703"	679.168828	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+K+HCOOH"	84.968628
"1424267"	709.200338	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+H+CF3COOH"	115.000138
"1156744"	359.647201	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+3ACN+2H"	125.094202
"1701925"	726.226885	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+NH4+CF3COOH"	132.026685
"1643043"	731.18228	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+Na+CF3COOH"	136.98208
"1574322"	747.15622	"C17905"	"Cannabisin A"	"C34H30N2O8"	"594.2002"	"M+K+CF3COOH"	152.95602
"811249"	596.2159	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M"	0
"988674"	577.19751	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-H2O-H"	-19.01839
"73030"	396.469990666667	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M-3H"	-3.021828
"509312"	595.208624	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M-3H"	-3.021828
"884930"	197.731357333333	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-3H"	-3.021828
"7876"	595.208624	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M-2H"	-2.014552
"444155"	893.316574	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M-2H"	-2.014552
"820861"	297.100674	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-2H"	-2.014552
"86320"	1191.424524	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M-H"	-1.007276
"525879"	1787.640424	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M-H"	-1.007276
"904774"	595.208624	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-H"	-1.007276
"60243"	1208.451071	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M-2H+NH4"	16.019271
"494336"	1804.666971	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M-2H+NH4"	16.019271
"872140"	612.235171	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-2H+NH4"	16.019271
"38947"	1213.406466	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M-2H+Na"	20.974666
"474497"	1809.622366	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M-2H+Na"	20.974666
"853392"	617.190566	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-2H+Na"	20.974666
"1621831"	617.190566	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Na-2H"	20.974666
"101279"	613.196963	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M-H+Cl"	33.962126
"540840"	911.304913	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M-H+Cl"	33.962126
"939824"	315.089013	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-H+Cl"	33.962126
"276195"	1227.401202	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+Cl"	34.969402
"668619"	1823.617102	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+Cl"	34.969402
"1284300"	631.185302	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Cl"	34.969402
"26857"	1229.380406	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M-2H+K"	36.948606
"469335"	1825.596306	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M-2H+K"	36.948606
"847136"	633.164506	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-2H+K"	36.948606
"1568800"	633.164506	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+K-2H"	36.948606
"957051"	641.214094	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-H+HCOOH"	44.998194
"374170"	1237.430001	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+HCOOH-H"	44.998201
"360241"	1251.445651	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+Hac-H"	59.013851
"1506155"	655.229751	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Hac-H"	59.013851
"966408"	663.196051	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-H+NaCOOH"	66.980151
"125281"	631.185302	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+2Cl"	69.938804
"562528"	929.293252	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+2Cl"	69.938804
"1032420"	333.077352	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2Cl"	69.938804
"1254187"	675.134785	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Br"	78.918885
"1316633"	677.190772	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Cl+HCOOH"	80.974872
"1320280"	699.172729	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Cl+NaCOOH"	102.956829
"912437"	709.201486	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M-H+CF3COOH"	112.985586
"1297535"	745.178164	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Cl+CF3COOH"	148.962264
"1376426"	561.203224	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H-2H2O"	-35.012676
"1387726"	579.2132	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H-H2O"	-17.0027
"290693"	1193.439076	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+H"	1.007276
"683114"	1789.654976	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+H"	1.007276
"1359459"	597.223176	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H"	1.007276
"131253"	597.223176	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+2H"	2.014552
"571906"	895.331126	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+2H"	2.014552
"1043994"	299.115226	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2H"	2.014552
"209708"	398.484542666667	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+3H"	3.021828
"649272"	597.223176	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+3H"	3.021828
"1165208"	199.745909333333	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+3H"	3.021828
"430667"	1210.465623	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+NH4"	18.033823
"789476"	1806.681523	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+NH4"	18.033823
"1685080"	614.249723	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+NH4"	18.033823
"332631"	605.7364495	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+H+NH4"	19.041099
"725419"	903.8443995	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+H+NH4"	19.041099
"1480336"	307.6284995	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H+NH4"	19.041099
"400108"	1215.421018	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+Na"	22.989218
"762198"	1811.636918	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+Na"	22.989218
"1603606"	619.205118	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Na"	22.989218
"318141"	608.214147	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+H+Na"	23.996494
"712747"	906.322097	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+H+Na"	23.996494
"1461826"	310.106197	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H+Na"	23.996494
"1052921"	207.073223333333	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2H+Na"	25.00377
"1257099"	629.249386	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+CH3OH+H"	33.033486
"377220"	1231.394958	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+K"	38.963158
"738573"	1827.610858	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+K"	38.963158
"1539932"	635.179058	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+K"	38.963158
"301753"	616.201117	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+H+K"	39.970434
"692717"	914.309067	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+H+K"	39.970434
"1446902"	318.093167	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H+K"	39.970434
"236596"	1234.465626	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+ACN+H"	42.033826
"1211132"	638.249726	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+ACN+H"	42.033826
"1196842"	319.628501	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+ACN+2H"	43.041102
"191173"	1237.40296	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+2Na-H"	44.97116
"631825"	1833.61886	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+2Na-H"	44.97116
"1134237"	641.18706	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2Na-H"	44.97116
"173758"	619.205118	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+2Na"	45.978436
"613151"	917.313068	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+2Na"	45.978436
"1116830"	321.097168	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2Na"	45.978436
"1399740"	214.400537333333	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H+2Na"	46.985712
"1430518"	643.228646	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H+HCOOH"	47.012746
"220580"	624.23814	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+3H2O+2H"	56.04448
"1508887"	657.28069	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+IsoProp+H"	61.06479
"409423"	627.192088	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+Na+K"	61.952376
"770049"	925.300038	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+Na+K"	61.952376
"1670287"	329.084138	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Na+K"	61.952376
"255349"	1256.447568	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+ACN+Na"	64.015768
"1240456"	660.231668	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+ACN+Na"	64.015768
"1726426"	660.255193	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+NH4+HCOOH"	64.039293
"1193239"	221.727851333333	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+3Na"	68.967654
"1665363"	665.210588	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Na+HCOOH"	68.994688
"172343"	1269.35084	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+2K-H"	76.91904
"610648"	1865.56674	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+2K-H"	76.91904
"1098441"	673.13494	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2K-H"	76.91904
"154164"	635.179058	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"2M+2K"	77.926316
"597009"	933.287008	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"3M+2K"	77.926316
"1082609"	337.071108	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2K"	77.926316
"1115529"	675.149492	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2K+H"	78.933592
"1348925"	675.237107	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+DMSO+H"	79.021207
"1020981"	679.276276	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2ACN+H"	83.060376
"1536674"	680.269908	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+IsoProp+Na+H"	84.054008
"1000935"	340.141776	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+2ACN+2H"	84.067652
"1598719"	681.184528	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+K+HCOOH"	84.968628
"1423284"	711.216038	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+H+CF3COOH"	115.000138
"1156854"	360.655051	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+3ACN+2H"	125.094202
"1702035"	728.242585	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+NH4+CF3COOH"	132.026685
"1643153"	733.19798	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+Na+CF3COOH"	136.98208
"1574432"	749.17192	"C17906"	"Cannabisin B"	"C34H32N2O8"	"596.2159"	"M+K+CF3COOH"	152.95602
"810266"	610.2315	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M"	0
"988420"	591.21311	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-H2O-H"	-19.01839
"73142"	405.813724	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M-3H"	-3.021828
"510517"	609.224224	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M-3H"	-3.021828
"883947"	202.403224	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-3H"	-3.021828
"7988"	609.224224	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M-2H"	-2.014552
"447548"	914.339974	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M-2H"	-2.014552
"825346"	304.108474	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-2H"	-2.014552
"86431"	1219.455724	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M-H"	-1.007276
"528177"	1829.687224	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M-H"	-1.007276
"901607"	609.224224	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-H"	-1.007276
"58168"	1236.482271	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M-2H+NH4"	16.019271
"498821"	1846.713771	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M-2H+NH4"	16.019271
"870066"	626.250771	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-2H+NH4"	16.019271
"35780"	1241.437666	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M-2H+Na"	20.974666
"482997"	1851.669166	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M-2H+Na"	20.974666
"859701"	631.206166	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-2H+Na"	20.974666
"1627048"	631.206166	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Na-2H"	20.974666
"103577"	627.212563	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M-H+Cl"	33.962126
"542044"	932.328313	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M-H+Cl"	33.962126
"938841"	322.096813	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-H+Cl"	33.962126
"277402"	1255.432402	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+Cl"	34.969402
"670916"	1865.663902	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+Cl"	34.969402
"1284412"	645.200902	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Cl"	34.969402
"28060"	1257.411606	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M-2H+K"	36.948606
"469810"	1867.643106	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M-2H+K"	36.948606
"847856"	647.180106	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-2H+K"	36.948606
"1569275"	647.180106	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+K-2H"	36.948606
"955339"	655.229694	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-H+HCOOH"	44.998194
"376672"	1265.461201	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+HCOOH-H"	44.998201
"361320"	1279.476851	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+Hac-H"	59.013851
"1505537"	669.245351	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Hac-H"	59.013851
"970528"	677.211651	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-H+NaCOOH"	66.980151
"121983"	645.200902	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+2Cl"	69.938804
"560451"	950.316652	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+2Cl"	69.938804
"1032530"	340.085152	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2Cl"	69.938804
"1253203"	689.150385	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Br"	78.918885
"1313463"	691.206372	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Cl+HCOOH"	80.974872
"1320390"	713.188329	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Cl+NaCOOH"	102.956829
"913276"	723.217086	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M-H+CF3COOH"	112.985586
"1301655"	759.193764	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Cl+CF3COOH"	148.962264
"1374714"	575.218824	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H-2H2O"	-35.012676
"1393302"	593.2288	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H-H2O"	-17.0027
"287522"	1221.470276	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+H"	1.007276
"682131"	1831.701776	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+H"	1.007276
"1356289"	611.238776	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H"	1.007276
"129541"	611.238776	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+2H"	2.014552
"569836"	916.354526	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+2H"	2.014552
"1040817"	306.123026	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2H"	2.014552
"209819"	407.828276	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+3H"	3.021828
"652662"	611.238776	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+3H"	3.021828
"1164227"	204.417776	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+3H"	3.021828
"428592"	1238.496823	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+NH4"	18.033823
"787766"	1848.728323	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+NH4"	18.033823
"1690294"	628.265323	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+NH4"	18.033823
"331279"	619.7520495	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+H+NH4"	19.041099
"726986"	924.8677995	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+H+NH4"	19.041099
"1489194"	314.6362995	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H+NH4"	19.041099
"400218"	1243.452218	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+Na"	22.989218
"759027"	1853.683718	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+Na"	22.989218
"1604569"	633.220718	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Na"	22.989218
"315699"	622.229747	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+H+Na"	23.996494
"709576"	927.345497	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+H+Na"	23.996494
"1462303"	317.113997	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H+Na"	23.996494
"1053197"	211.74509	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2H+Na"	25.00377
"1257179"	643.264986	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+CH3OH+H"	33.033486
"377330"	1259.426158	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+K"	38.963158
"738626"	1869.657658	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+K"	38.963158
"1539915"	649.194658	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+K"	38.963158
"299310"	630.216717	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+H+K"	39.970434
"691854"	935.332467	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+H+K"	39.970434
"1445831"	325.100967	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H+K"	39.970434
"235767"	1262.496826	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+ACN+H"	42.033826
"1211730"	652.265326	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+ACN+H"	42.033826
"1196588"	326.636301	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+ACN+2H"	43.041102
"192740"	1265.43416	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+2Na-H"	44.97116
"631571"	1875.66566	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+2Na-H"	44.97116
"1135077"	655.20266	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2Na-H"	44.97116
"173299"	633.220718	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+2Na"	45.978436
"613669"	938.336468	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+2Na"	45.978436
"1117054"	328.104968	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2Na"	45.978436
"1400213"	219.072404	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H+2Na"	46.985712
"1431598"	657.244246	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H+HCOOH"	47.012746
"221661"	638.25374	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+3H2O+2H"	56.04448
"1509039"	671.29629	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+IsoProp+H"	61.06479
"409777"	641.207688	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+Na+K"	61.952376
"770891"	946.323438	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+Na+K"	61.952376
"1668210"	336.091938	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Na+K"	61.952376
"255459"	1284.478768	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+ACN+Na"	64.015768
"1235097"	674.247268	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+ACN+Na"	64.015768
"1724714"	674.270793	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+NH4+HCOOH"	64.039293
"1189340"	226.399718	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+3Na"	68.967654
"1662877"	679.226188	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Na+HCOOH"	68.994688
"167916"	1297.38204	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+2K-H"	76.91904
"608572"	1907.61354	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+2K-H"	76.91904
"1099403"	687.15054	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2K-H"	76.91904
"155369"	649.194658	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"2M+2K"	77.926316
"593834"	954.310408	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"3M+2K"	77.926316
"1078346"	344.078908	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2K"	77.926316
"1114473"	689.165092	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2K+H"	78.933592
"1349035"	689.252707	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+DMSO+H"	79.021207
"1019753"	693.291876	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2ACN+H"	83.060376
"1537878"	694.285508	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+IsoProp+Na+H"	84.054008
"1001045"	347.149576	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+2ACN+2H"	84.067652
"1598829"	695.200128	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+K+HCOOH"	84.968628
"1422301"	725.231638	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+H+CF3COOH"	115.000138
"1154778"	367.662851	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+3ACN+2H"	125.094202
"1705426"	742.258185	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+NH4+CF3COOH"	132.026685
"1639982"	747.21358	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+Na+CF3COOH"	136.98208
"1572717"	763.18752	"C17907"	"Cannabisin C"	"C35H34N2O8"	"610.2315"	"M+K+CF3COOH"	152.95602
"810376"	624.2472	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M"	0
"988651"	605.22881	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-H2O-H"	-19.01839
"76166"	415.157524	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M-3H"	-3.021828
"508440"	623.239924	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M-3H"	-3.021828
"887337"	207.075124	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-3H"	-3.021828
"9922"	623.239924	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M-2H"	-2.014552
"445473"	935.363524	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M-2H"	-2.014552
"817804"	311.116324	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-2H"	-2.014552
"84356"	1247.487124	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M-H"	-1.007276
"531572"	1871.734324	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M-H"	-1.007276
"899533"	623.239924	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-H"	-1.007276
"54999"	1264.513671	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M-2H+NH4"	16.019271
"495653"	1888.760871	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M-2H+NH4"	16.019271
"870176"	640.266471	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-2H+NH4"	16.019271
"38078"	1269.469066	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M-2H+Na"	20.974666
"480921"	1893.716266	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M-2H+Na"	20.974666
"859813"	645.221866	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-2H+Na"	20.974666
"1629347"	645.221866	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Na-2H"	20.974666
"104781"	641.228263	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M-H+Cl"	33.962126
"542154"	953.351863	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M-H+Cl"	33.962126
"935671"	329.104663	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-H+Cl"	33.962126
"277512"	1283.463802	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+Cl"	34.969402
"672126"	1907.711002	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+Cl"	34.969402
"1285865"	659.216602	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Cl"	34.969402
"28540"	1285.443006	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M-2H+K"	36.948606
"469560"	1909.690206	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M-2H+K"	36.948606
"845535"	661.195806	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-2H+K"	36.948606
"1568293"	661.195806	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+K-2H"	36.948606
"958044"	669.245394	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-H+HCOOH"	44.998194
"376214"	1293.492601	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+HCOOH-H"	44.998201
"359732"	1307.508251	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+Hac-H"	59.013851
"1504920"	683.261051	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Hac-H"	59.013851
"972097"	691.227351	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-H+NaCOOH"	66.980151
"122095"	659.216602	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+2Cl"	69.938804
"559470"	971.340202	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+2Cl"	69.938804
"1030456"	347.093002	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2Cl"	69.938804
"1251126"	703.166085	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Br"	78.918885
"1310295"	705.222072	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Cl+HCOOH"	80.974872
"1322324"	727.204029	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Cl+NaCOOH"	102.956829
"914480"	737.232786	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M-H+CF3COOH"	112.985586
"1301400"	773.209464	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Cl+CF3COOH"	148.962264
"1372634"	589.234524	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H-2H2O"	-35.012676
"1394144"	607.2445	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H-H2O"	-17.0027
"292007"	1249.501676	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+H"	1.007276
"681147"	1873.748876	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+H"	1.007276
"1356403"	625.254476	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H"	1.007276
"129292"	625.254476	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+2H"	2.014552
"568123"	937.378076	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+2H"	2.014552
"1039108"	313.130876	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2H"	2.014552
"212120"	417.172076	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+3H"	3.021828
"649492"	625.254476	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+3H"	3.021828
"1167616"	209.089676	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+3H"	3.021828
"431984"	1266.528223	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+NH4"	18.033823
"788240"	1890.775423	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+NH4"	18.033823
"1684205"	642.281023	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+NH4"	18.033823
"332120"	633.7677495	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+H+NH4"	19.041099
"726003"	945.8913495	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+H+NH4"	19.041099
"1479825"	321.6441495	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H+NH4"	19.041099
"397047"	1271.483618	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+Na"	22.989218
"762053"	1895.730818	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+Na"	22.989218
"1608328"	647.236418	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Na"	22.989218
"318725"	636.245447	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+H+Na"	23.996494
"709686"	948.369047	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+H+Na"	23.996494
"1462777"	324.121847	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H+Na"	23.996494
"1052981"	216.41699	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2H+Na"	25.00377
"1257330"	657.280686	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+CH3OH+H"	33.033486
"378831"	1287.457558	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+K"	38.963158
"738848"	1911.704758	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+K"	38.963158
"1542243"	663.210358	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+K"	38.963158
"300879"	644.232417	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+H+K"	39.970434
"692571"	956.356017	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+H+K"	39.970434
"1445617"	332.108817	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H+K"	39.970434
"240835"	1290.528226	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+ACN+H"	42.033826
"1217922"	666.281026	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+ACN+H"	42.033826
"1199617"	333.644151	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+ACN+2H"	43.041102
"193582"	1293.46556	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+2Na-H"	44.97116
"637517"	1917.71276	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+2Na-H"	44.97116
"1135555"	669.21836	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2Na-H"	44.97116
"174714"	647.236418	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+2Na"	45.978436
"615127"	959.360018	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+2Na"	45.978436
"1116442"	335.112818	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2Na"	45.978436
"1398912"	223.744304	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H+2Na"	46.985712
"1430746"	671.259946	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H+HCOOH"	47.012746
"221773"	652.26944	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+3H2O+2H"	56.04448
"1510199"	685.31199	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+IsoProp+H"	61.06479
"409047"	655.223388	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+Na+K"	61.952376
"782200"	967.346988	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+Na+K"	61.952376
"1677436"	343.099788	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Na+K"	61.952376
"265419"	1312.510168	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+ACN+Na"	64.015768
"1237033"	688.262968	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+ACN+Na"	64.015768
"1724462"	688.286493	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+NH4+HCOOH"	64.039293
"1189087"	231.071618	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+3Na"	68.967654
"1658979"	693.241888	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Na+HCOOH"	68.994688
"164746"	1325.41344	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+2K-H"	76.91904
"606495"	1949.66064	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+2K-H"	76.91904
"1094288"	701.16624	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2K-H"	76.91904
"156207"	663.210358	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"2M+2K"	77.926316
"595038"	975.333958	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"3M+2K"	77.926316
"1083320"	351.086758	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2K"	77.926316
"1115314"	703.180792	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2K+H"	78.933592
"1343677"	703.268407	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+DMSO+H"	79.021207
"1020471"	707.307576	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2ACN+H"	83.060376
"1537990"	708.301208	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+IsoProp+Na+H"	84.054008
"1003347"	354.157426	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+2ACN+2H"	84.067652
"1596755"	709.215828	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+K+HCOOH"	84.968628
"1426789"	739.247338	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+H+CF3COOH"	115.000138
"1160357"	374.670701	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+3ACN+2H"	125.094202
"1705536"	756.273885	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+NH4+CF3COOH"	132.026685
"1641188"	761.22928	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+Na+CF3COOH"	136.98208
"1574652"	777.20322	"C17908"	"Cannabisin D"	"C36H36N2O8"	"624.2472"	"M+K+CF3COOH"	152.95602
"813766"	642.2577	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M"	0
"981830"	623.23931	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-H2O-H"	-19.01839
"76637"	427.164524	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M-3H"	-3.021828
"514012"	641.250424	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M-3H"	-3.021828
"892913"	213.078624	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-3H"	-3.021828
"11853"	641.250424	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M-2H"	-2.014552
"449956"	962.379274	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M-2H"	-2.014552
"825571"	320.121574	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-2H"	-2.014552
"88844"	1283.508124	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M-H"	-1.007276
"521842"	1925.765824	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M-H"	-1.007276
"896239"	641.250424	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-H"	-1.007276
"50735"	1300.534671	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M-2H+NH4"	16.019271
"492483"	1942.792371	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M-2H+NH4"	16.019271
"867006"	658.276971	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-2H+NH4"	16.019271
"34908"	1305.490066	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M-2H+Na"	20.974666
"483946"	1947.747766	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M-2H+Na"	20.974666
"853363"	663.232366	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-2H+Na"	20.974666
"1627270"	663.232366	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Na-2H"	20.974666
"101610"	659.238763	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M-H+Cl"	33.962126
"538983"	980.367613	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M-H+Cl"	33.962126
"937967"	338.109913	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-H+Cl"	33.962126
"281144"	1319.484802	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+Cl"	34.969402
"671144"	1961.742502	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+Cl"	34.969402
"1286460"	677.227102	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Cl"	34.969402
"28654"	1321.464006	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M-2H+K"	36.948606
"469305"	1963.721706	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M-2H+K"	36.948606
"846983"	679.206306	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-2H+K"	36.948606
"1570106"	679.206306	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+K-2H"	36.948606
"957872"	687.255894	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-H+HCOOH"	44.998194
"376695"	1329.513601	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+HCOOH-H"	44.998201
"361197"	1343.529251	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+Hac-H"	59.013851
"1507988"	701.271551	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Hac-H"	59.013851
"974172"	709.237851	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-H+NaCOOH"	66.980151
"120019"	677.227102	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+2Cl"	69.938804
"563953"	998.355952	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+2Cl"	69.938804
"1035669"	356.098252	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2Cl"	69.938804
"1254516"	721.176585	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Br"	78.918885
"1313685"	723.232572	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Cl+HCOOH"	80.974872
"1320612"	745.214529	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Cl+NaCOOH"	102.956829
"917869"	755.243286	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M-H+CF3COOH"	112.985586
"1292390"	791.219964	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Cl+CF3COOH"	148.962264
"1376021"	607.245024	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H-2H2O"	-35.012676
"1392428"	625.255	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H-H2O"	-17.0027
"288106"	1285.522676	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+H"	1.007276
"679433"	1927.780376	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+H"	1.007276
"1356513"	643.264976	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H"	1.007276
"133777"	643.264976	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+2H"	2.014552
"568963"	964.393826	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+2H"	2.014552
"1038855"	322.136126	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2H"	2.014552
"214053"	429.179076	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+3H"	3.021828
"655436"	643.264976	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+3H"	3.021828
"1169914"	215.093176	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+3H"	3.021828
"431001"	1302.549223	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+NH4"	18.033823
"788715"	1944.806923	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+NH4"	18.033823
"1683951"	660.291523	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+NH4"	18.033823
"336605"	651.7782495	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+H+NH4"	19.041099
"725749"	972.9070995	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+H+NH4"	19.041099
"1479570"	330.6493995	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H+NH4"	19.041099
"397157"	1307.504618	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+Na"	22.989218
"759247"	1949.762318	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+Na"	22.989218
"1608438"	665.246918	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Na"	22.989218
"316284"	654.255947	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+H+Na"	23.996494
"708460"	975.384797	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+H+Na"	23.996494
"1462402"	333.127097	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H+Na"	23.996494
"1054677"	222.42049	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2H+Na"	25.00377
"1259272"	675.291186	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+CH3OH+H"	33.033486
"380035"	1323.478558	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+K"	38.963158
"739448"	1965.736258	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+K"	38.963158
"1541989"	681.220858	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+K"	38.963158
"301354"	662.242917	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+H+K"	39.970434
"692318"	983.371767	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+H+K"	39.970434
"1447237"	341.114067	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H+K"	39.970434
"239851"	1326.549226	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+ACN+H"	42.033826
"1218033"	684.291526	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+ACN+H"	42.033826
"1201913"	342.649401	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+ACN+2H"	43.041102
"198067"	1329.48656	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+2Na-H"	44.97116
"638721"	1971.74426	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+2Na-H"	44.97116
"1142225"	687.22886	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2Na-H"	44.97116
"174703"	665.246918	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+2Na"	45.978436
"615237"	986.375768	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+2Na"	45.978436
"1117648"	344.118068	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2Na"	45.978436
"1400078"	229.747804	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H+2Na"	46.985712
"1431221"	689.270446	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H+HCOOH"	47.012746
"220792"	670.27994	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+3H2O+2H"	56.04448
"1509222"	703.32249	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+IsoProp+H"	61.06479
"411832"	673.233888	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+Na+K"	61.952376
"772830"	994.362738	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+Na+K"	61.952376
"1675724"	352.105038	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Na+K"	61.952376
"265408"	1348.531168	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+ACN+Na"	64.015768
"1236779"	706.273468	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+ACN+Na"	64.015768
"1723843"	706.296993	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+NH4+HCOOH"	64.039293
"1189197"	237.075118	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+3Na"	68.967654
"1659089"	711.252388	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Na+HCOOH"	68.994688
"165950"	1361.43444	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+2K-H"	76.91904
"605512"	2003.69214	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+2K-H"	76.91904
"1097678"	719.17674	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2K-H"	76.91904
"154494"	681.220858	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"2M+2K"	77.926316
"595148"	1002.349708	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"3M+2K"	77.926316
"1083672"	360.092008	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2K"	77.926316
"1115344"	721.191292	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2K+H"	78.933592
"1345973"	721.278907	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+DMSO+H"	79.021207
"1020706"	725.318076	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2ACN+H"	83.060376
"1534820"	726.311708	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+IsoProp+Na+H"	84.054008
"1003456"	363.162676	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+2ACN+2H"	84.067652
"1599050"	727.226328	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+K+HCOOH"	84.968628
"1425805"	757.257838	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+H+CF3COOH"	115.000138
"1159373"	383.675951	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+3ACN+2H"	125.094202
"1705645"	774.284385	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+NH4+CF3COOH"	132.026685
"1640205"	779.23978	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+Na+CF3COOH"	136.98208
"1574762"	795.21372	"C17909"	"Cannabisin E"	"C36H38N2O9"	"642.2577"	"M+K+CF3COOH"	152.95602
"812783"	624.2472	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M"	0
"981941"	605.22881	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-H2O-H"	-19.01839
"76747"	415.157524	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M-3H"	-3.021828
"516308"	623.239924	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M-3H"	-3.021828
"893388"	207.075124	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-3H"	-3.021828
"13785"	623.239924	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M-2H"	-2.014552
"452255"	935.363524	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M-2H"	-2.014552
"830053"	311.116324	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-2H"	-2.014552
"88954"	1247.487124	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M-H"	-1.007276
"527420"	1871.734324	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M-H"	-1.007276
"899753"	623.239924	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-H"	-1.007276
"51939"	1264.513671	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M-2H+NH4"	16.019271
"489435"	1888.760871	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M-2H+NH4"	16.019271
"867238"	640.266471	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-2H+NH4"	16.019271
"43767"	1269.469066	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M-2H+Na"	20.974666
"483327"	1893.716266	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M-2H+Na"	20.974666
"854566"	645.221866	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-2H+Na"	20.974666
"1628473"	645.221866	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Na-2H"	20.974666
"101720"	641.228263	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M-H+Cl"	33.962126
"539093"	953.351863	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M-H+Cl"	33.962126
"936984"	329.104663	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-H+Cl"	33.962126
"276633"	1283.463802	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+Cl"	34.969402
"671983"	1907.711002	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+Cl"	34.969402
"1285479"	659.216602	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Cl"	34.969402
"28396"	1285.443006	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M-2H+K"	36.948606
"469414"	1909.690206	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M-2H+K"	36.948606
"847578"	661.195806	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-2H+K"	36.948606
"1570580"	661.195806	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+K-2H"	36.948606
"958027"	669.245394	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-H+HCOOH"	44.998194
"376768"	1293.492601	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+HCOOH-H"	44.998201
"360561"	1307.508251	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+Hac-H"	59.013851
"1508383"	683.261051	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Hac-H"	59.013851
"974093"	691.227351	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-H+NaCOOH"	66.980151
"124261"	659.216602	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+2Cl"	69.938804
"562970"	971.340202	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+2Cl"	69.938804
"1029582"	347.093002	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2Cl"	69.938804
"1254626"	703.166085	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Br"	78.918885
"1309420"	705.222072	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Cl+HCOOH"	80.974872
"1325825"	727.204029	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Cl+NaCOOH"	102.956829
"919072"	737.232786	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M-H+CF3COOH"	112.985586
"1291041"	773.209464	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Cl+CF3COOH"	148.962264
"1369569"	589.234524	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H-2H2O"	-35.012676
"1392538"	607.2445	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H-H2O"	-17.0027
"286759"	1249.501676	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+H"	1.007276
"679179"	1873.748876	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+H"	1.007276
"1356623"	625.254476	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H"	1.007276
"127326"	625.254476	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+2H"	2.014552
"569073"	937.378076	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+2H"	2.014552
"1040058"	313.130876	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2H"	2.014552
"210151"	417.172076	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+3H"	3.021828
"650806"	625.254476	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+3H"	3.021828
"1167837"	209.089676	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+3H"	3.021828
"428922"	1266.528223	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+NH4"	18.033823
"789918"	1890.775423	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+NH4"	18.033823
"1683695"	642.281023	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+NH4"	18.033823
"332704"	633.7677495	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+H+NH4"	19.041099
"726223"	945.8913495	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+H+NH4"	19.041099
"1479681"	321.6441495	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H+NH4"	19.041099
"396174"	1271.483618	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+Na"	22.989218
"759356"	1895.730818	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+Na"	22.989218
"1605994"	647.236418	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Na"	22.989218
"316394"	636.245447	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+H+Na"	23.996494
"707386"	948.369047	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+H+Na"	23.996494
"1461651"	324.121847	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H+Na"	23.996494
"1056975"	216.41699	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2H+Na"	25.00377
"1261935"	657.280686	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+CH3OH+H"	33.033486
"379781"	1287.457558	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+K"	38.963158
"739681"	1911.704758	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+K"	38.963158
"1543193"	663.210358	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+K"	38.963158
"301100"	644.232417	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+H+K"	39.970434
"691981"	956.356017	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+H+K"	39.970434
"1446982"	332.108817	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H+K"	39.970434
"239961"	1290.528226	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+ACN+H"	42.033826
"1222513"	666.281026	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+ACN+H"	42.033826
"1200930"	333.644151	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+ACN+2H"	43.041102
"199270"	1293.46556	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+2Na-H"	44.97116
"639924"	1917.71276	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+2Na-H"	44.97116
"1140149"	669.21836	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2Na-H"	44.97116
"175785"	647.236418	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+2Na"	45.978436
"616440"	959.360018	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+2Na"	45.978436
"1116900"	335.112818	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2Na"	45.978436
"1400188"	223.744304	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H+2Na"	46.985712
"1433396"	671.259946	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H+HCOOH"	47.012746
"221994"	652.26944	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+3H2O+2H"	56.04448
"1511154"	685.31199	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+IsoProp+H"	61.06479
"409755"	655.223388	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+Na+K"	61.952376
"772940"	967.346988	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+Na+K"	61.952376
"1675834"	343.099788	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Na+K"	61.952376
"265274"	1312.510168	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+ACN+Na"	64.015768
"1235795"	688.262968	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+ACN+Na"	64.015768
"1725774"	688.286493	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+NH4+HCOOH"	64.039293
"1190036"	231.071618	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+3Na"	68.967654
"1658106"	693.241888	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Na+HCOOH"	68.994688
"168248"	1325.41344	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+2K-H"	76.91904
"609995"	1949.66064	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+2K-H"	76.91904
"1096695"	701.16624	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2K-H"	76.91904
"154604"	663.210358	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"2M+2K"	77.926316
"593071"	975.333958	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"3M+2K"	77.926316
"1083622"	351.086758	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2K"	77.926316
"1114687"	703.180792	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2K+H"	78.933592
"1349365"	703.268407	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+DMSO+H"	79.021207
"1017897"	707.307576	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2ACN+H"	83.060376
"1533836"	708.301208	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+IsoProp+Na+H"	84.054008
"1002110"	354.157426	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+2ACN+2H"	84.067652
"1598067"	709.215828	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+K+HCOOH"	84.968628
"1425915"	739.247338	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+H+CF3COOH"	115.000138
"1159483"	374.670701	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+3ACN+2H"	125.094202
"1705755"	756.273885	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+NH4+CF3COOH"	132.026685
"1640315"	761.22928	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+Na+CF3COOH"	136.98208
"1575965"	777.20322	"C17910"	"Cannabisin F"	"C36H36N2O8"	"624.2472"	"M+K+CF3COOH"	152.95602
"813986"	624.2472	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M"	0
"987520"	605.22881	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-H2O-H"	-19.01839
"77951"	415.157524	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M-3H"	-3.021828
"517878"	623.239924	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M-3H"	-3.021828
"893131"	207.075124	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-3H"	-3.021828
"15232"	623.239924	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M-2H"	-2.014552
"449085"	935.363524	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M-2H"	-2.014552
"830892"	311.116324	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-2H"	-2.014552
"90885"	1247.487124	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M-H"	-1.007276
"528622"	1871.734324	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M-H"	-1.007276
"903142"	623.239924	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-H"	-1.007276
"55329"	1264.513671	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M-2H+NH4"	16.019271
"491610"	1888.760871	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M-2H+NH4"	16.019271
"868320"	640.266471	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-2H+NH4"	16.019271
"42784"	1269.469066	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M-2H+Na"	20.974666
"483437"	1893.716266	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M-2H+Na"	20.974666
"855769"	645.221866	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-2H+Na"	20.974666
"1623115"	645.221866	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Na-2H"	20.974666
"106206"	641.228263	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M-H+Cl"	33.962126
"543578"	953.351863	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M-H+Cl"	33.962126
"941108"	329.104663	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-H+Cl"	33.962126
"282052"	1283.463802	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+Cl"	34.969402
"673186"	1907.711002	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+Cl"	34.969402
"1287412"	659.216602	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Cl"	34.969402
"29234"	1285.443006	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M-2H+K"	36.948606
"469892"	1909.690206	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M-2H+K"	36.948606
"847853"	661.195806	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-2H+K"	36.948606
"1567531"	661.195806	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+K-2H"	36.948606
"958351"	669.245394	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-H+HCOOH"	44.998194
"376916"	1293.492601	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+HCOOH-H"	44.998201
"360305"	1307.508251	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+Hac-H"	59.013851
"1508296"	683.261051	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Hac-H"	59.013851
"973972"	691.227351	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-H+NaCOOH"	66.980151
"120969"	659.216602	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+2Cl"	69.938804
"556520"	971.340202	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+2Cl"	69.938804
"1025319"	347.093002	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2Cl"	69.938804
"1245989"	703.166085	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Br"	78.918885
"1308438"	705.222072	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Cl+HCOOH"	80.974872
"1322656"	727.204029	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Cl+NaCOOH"	102.956829
"920276"	737.232786	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M-H+CF3COOH"	112.985586
"1299173"	773.209464	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Cl+CF3COOH"	148.962264
"1376241"	589.234524	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H-2H2O"	-35.012676
"1390460"	607.2445	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H-H2O"	-17.0027
"287597"	1249.501676	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+H"	1.007276
"679653"	1873.748876	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+H"	1.007276
"1356004"	625.254476	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H"	1.007276
"128164"	625.254476	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+2H"	2.014552
"569547"	937.378076	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+2H"	2.014552
"1044544"	313.130876	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2H"	2.014552
"208074"	417.172076	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+3H"	3.021828
"650916"	625.254476	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+3H"	3.021828
"1167947"	209.089676	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+3H"	3.021828
"427209"	1266.528223	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+NH4"	18.033823
"789298"	1890.775423	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+NH4"	18.033823
"1684534"	642.281023	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+NH4"	18.033823
"330991"	633.7677495	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+H+NH4"	19.041099
"726333"	945.8913495	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+H+NH4"	19.041099
"1479426"	321.6441495	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H+NH4"	19.041099
"396284"	1271.483618	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+Na"	22.989218
"758373"	1895.730818	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+Na"	22.989218
"1604160"	647.236418	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Na"	22.989218
"316140"	636.245447	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+H+Na"	23.996494
"707211"	948.369047	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+H+Na"	23.996494
"1461362"	324.121847	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H+Na"	23.996494
"1056357"	216.41699	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2H+Na"	25.00377
"1259859"	657.280686	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+CH3OH+H"	33.033486
"378798"	1287.457558	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+K"	38.963158
"740157"	1911.704758	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+K"	38.963158
"1540872"	663.210358	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+K"	38.963158
"299019"	644.232417	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+H+K"	39.970434
"694362"	956.356017	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+H+K"	39.970434
"1446239"	332.108817	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H+K"	39.970434
"240071"	1290.528226	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+ACN+H"	42.033826
"1223352"	666.281026	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+ACN+H"	42.033826
"1203226"	333.644151	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+ACN+2H"	43.041102
"200473"	1293.46556	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+2Na-H"	44.97116
"641127"	1917.71276	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+2Na-H"	44.97116
"1141352"	669.21836	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2Na-H"	44.97116
"175894"	647.236418	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+2Na"	45.978436
"613867"	959.360018	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+2Na"	45.978436
"1116885"	335.112818	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2Na"	45.978436
"1399322"	223.744304	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H+2Na"	46.985712
"1432412"	671.259946	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H+HCOOH"	47.012746
"220642"	652.26944	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+3H2O+2H"	56.04448
"1509801"	685.31199	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+IsoProp+H"	61.06479
"410958"	655.223388	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+Na+K"	61.952376
"774143"	967.346988	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+Na+K"	61.952376
"1678130"	343.099788	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Na+K"	61.952376
"265020"	1312.510168	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+ACN+Na"	64.015768
"1236634"	688.262968	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+ACN+Na"	64.015768
"1723697"	688.286493	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+NH4+HCOOH"	64.039293
"1190510"	231.071618	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+3Na"	68.967654
"1661495"	693.241888	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Na+HCOOH"	68.994688
"168358"	1325.41344	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+2K-H"	76.91904
"609012"	1949.66064	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+2K-H"	76.91904
"1099117"	701.16624	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2K-H"	76.91904
"156296"	663.210358	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"2M+2K"	77.926316
"596103"	975.333958	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"3M+2K"	77.926316
"1082926"	351.086758	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2K"	77.926316
"1114068"	703.180792	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2K+H"	78.933592
"1348382"	703.268407	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+DMSO+H"	79.021207
"1019102"	707.307576	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2ACN+H"	83.060376
"1537228"	708.301208	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+IsoProp+Na+H"	84.054008
"1002585"	354.157426	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+2ACN+2H"	84.067652
"1601458"	709.215828	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+K+HCOOH"	84.968628
"1426025"	739.247338	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+H+CF3COOH"	115.000138
"1159594"	374.670701	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+3ACN+2H"	125.094202
"1705865"	756.273885	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+NH4+CF3COOH"	132.026685
"1642610"	761.22928	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+Na+CF3COOH"	136.98208
"1573886"	777.20322	"C17911"	"Cannabisin G"	"C36H36N2O8"	"624.2472"	"M+K+CF3COOH"	152.95602
"813003"	246.1256	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M"	0
"986537"	227.10721	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-H2O-H"	-19.01839
"77455"	163.076457333333	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M-3H"	-3.021828
"518231"	245.118324	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M-3H"	-3.021828
"895351"	81.0345906666667	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-3H"	-3.021828
"15545"	245.118324	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H"	-2.014552
"452476"	368.181124	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H"	-2.014552
"829549"	122.055524	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-2H"	-2.014552
"88812"	491.243924	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M-H"	-1.007276
"528735"	737.369524	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M-H"	-1.007276
"906533"	245.118324	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-H"	-1.007276
"58720"	508.270471	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H+NH4"	16.019271
"496096"	754.396071	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H+NH4"	16.019271
"877181"	262.144871	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-2H+NH4"	16.019271
"41801"	513.225866	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H+Na"	20.974666
"485734"	759.351466	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H+Na"	20.974666
"860253"	267.100266	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-2H+Na"	20.974666
"1625412"	267.100266	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Na-2H"	20.974666
"107410"	263.106663	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M-H+Cl"	33.962126
"546970"	386.169463	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M-H+Cl"	33.962126
"940126"	140.043863	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-H+Cl"	33.962126
"280872"	527.220602	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+Cl"	34.969402
"672565"	773.346202	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+Cl"	34.969402
"1286427"	281.095002	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl"	34.969402
"29347"	529.199806	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M-2H+K"	36.948606
"470977"	775.325406	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M-2H+K"	36.948606
"848168"	283.074206	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-2H+K"	36.948606
"1571018"	283.074206	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+K-2H"	36.948606
"957837"	291.123794	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-H+HCOOH"	44.998194
"376293"	537.249401	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+HCOOH-H"	44.998201
"359930"	551.265051	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+Hac-H"	59.013851
"1508157"	305.139451	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Hac-H"	59.013851
"972050"	313.105751	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-H+NaCOOH"	66.980151
"119256"	281.095002	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+2Cl"	69.938804
"556631"	404.157802	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+2Cl"	69.938804
"1025429"	158.032202	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2Cl"	69.938804
"1243916"	325.044485	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Br"	78.918885
"1305270"	327.100472	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl+HCOOH"	80.974872
"1326047"	349.082429	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl+NaCOOH"	102.956829
"923306"	359.111186	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M-H+CF3COOH"	112.985586
"1298190"	395.087864	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Cl+CF3COOH"	148.962264
"1375258"	211.112924	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H-2H2O"	-35.012676
"1392754"	229.1229	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H-H2O"	-17.0027
"293532"	493.258476	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+H"	1.007276
"680127"	739.384076	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+H"	1.007276
"1355021"	247.132876	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H"	1.007276
"129367"	247.132876	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+2H"	2.014552
"570021"	370.195676	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+2H"	2.014552
"1045747"	124.070076	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2H"	2.014552
"210372"	165.091009333333	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+3H"	3.021828
"654306"	247.132876	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+3H"	3.021828
"1168057"	83.0491426666667	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+3H"	3.021828
"425862"	510.285023	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+NH4"	18.033823
"788315"	756.410623	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+NH4"	18.033823
"1682094"	264.159423	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+NH4"	18.033823
"331830"	255.6461495	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+H+NH4"	19.041099
"726443"	378.7089495	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+H+NH4"	19.041099
"1480995"	132.5833495	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H+NH4"	19.041099
"398581"	515.240418	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+Na"	22.989218
"759577"	761.366018	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+Na"	22.989218
"1603662"	269.114818	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Na"	22.989218
"314547"	258.123847	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+H+Na"	23.996494
"707121"	381.186647	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+H+Na"	23.996494
"1461499"	135.061047	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H+Na"	23.996494
"1055737"	90.3764566666667	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2H+Na"	25.00377
"1258144"	279.159086	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+CH3OH+H"	33.033486
"378546"	531.214358	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+K"	38.963158
"739416"	777.339958	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+K"	38.963158
"1540417"	285.088758	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+K"	38.963158
"299861"	266.110817	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+H+K"	39.970434
"693744"	389.173617	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+H+K"	39.970434
"1446589"	143.048017	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H+K"	39.970434
"240181"	534.285026	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+ACN+H"	42.033826
"1222733"	288.159426	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+ACN+H"	42.033826
"1197139"	144.583351	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+ACN+2H"	43.041102
"195114"	537.22236	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+2Na-H"	44.97116
"635769"	783.34796	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+2Na-H"	44.97116
"1135993"	291.09676	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2Na-H"	44.97116
"173811"	269.114818	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+2Na"	45.978436
"613367"	392.177618	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+2Na"	45.978436
"1115693"	146.052018	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2Na"	45.978436
"1398505"	97.7037706666667	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H+2Na"	46.985712
"1430203"	293.138346	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H+HCOOH"	47.012746
"220377"	274.14784	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+3H2O+2H"	56.04448
"1508818"	307.19039	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+IsoProp+H"	61.06479
"413255"	277.101788	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+Na+K"	61.952376
"773160"	400.164588	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+Na+K"	61.952376
"1668028"	154.038988	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Na+K"	61.952376
"260389"	556.266968	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+ACN+Na"	64.015768
"1237472"	310.141368	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+ACN+Na"	64.015768
"1724537"	310.164893	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+NH4+HCOOH"	64.039293
"1191349"	105.031084666667	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+3Na"	68.967654
"1660512"	315.120288	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Na+HCOOH"	68.994688
"172398"	569.17024	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+2K-H"	76.91904
"606935"	815.29584	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+2K-H"	76.91904
"1099550"	323.04464	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2K-H"	76.91904
"156937"	285.088758	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"2M+2K"	77.926316
"595245"	408.151558	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"3M+2K"	77.926316
"1084051"	162.025958	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2K"	77.926316
"1115150"	325.059192	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2K+H"	78.933592
"1347399"	325.146807	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+DMSO+H"	79.021207
"1020064"	329.185976	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2ACN+H"	83.060376
"1537338"	330.179608	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+IsoProp+Na+H"	84.054008
"1003424"	165.096626	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+2ACN+2H"	84.067652
"1599383"	331.094228	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+K+HCOOH"	84.968628
"1427228"	361.125738	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+H+CF3COOH"	115.000138
"1159703"	185.609901	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+3ACN+2H"	125.094202
"1707067"	378.152285	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+NH4+CF3COOH"	132.026685
"1640532"	383.10768	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+Na+CF3COOH"	136.98208
"1572902"	399.08162	"C17912"	"Isozaluzanin C"	"C15H18O3"	"246.1256"	"M+K+CF3COOH"	152.95602
"816158"	230.1307	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M"	0
"988960"	211.11231	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H2O-H"	-19.01839
"78289"	152.413190666667	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-3H"	-3.021828
"518350"	229.123424	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-3H"	-3.021828
"895372"	75.7029573333333	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-3H"	-3.021828
"11923"	229.123424	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H"	-2.014552
"451127"	344.188774	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H"	-2.014552
"830386"	114.058074	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H"	-2.014552
"90015"	459.254124	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-H"	-1.007276
"525563"	689.384824	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-H"	-1.007276
"907375"	229.123424	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H"	-1.007276
"57739"	476.280671	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H+NH4"	16.019271
"492926"	706.411371	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H+NH4"	16.019271
"874011"	246.149971	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H+NH4"	16.019271
"43735"	481.236066	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H+Na"	20.974666
"485845"	711.366766	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H+Na"	20.974666
"860363"	251.105366	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H+Na"	20.974666
"1623336"	251.105366	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na-2H"	20.974666
"106062"	247.111763	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-H+Cl"	33.962126
"545987"	362.177113	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-H+Cl"	33.962126
"940967"	132.046413	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+Cl"	33.962126
"279889"	495.230802	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Cl"	34.969402
"674134"	725.361502	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+Cl"	34.969402
"1286537"	265.100102	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl"	34.969402
"31132"	497.210006	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M-2H+K"	36.948606
"471184"	727.340706	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M-2H+K"	36.948606
"847550"	267.079306	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-2H+K"	36.948606
"1570188"	267.079306	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K-2H"	36.948606
"957584"	275.128894	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+HCOOH"	44.998194
"376529"	505.259601	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+HCOOH-H"	44.998201
"360891"	519.275251	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Hac-H"	59.013851
"1507292"	289.144551	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Hac-H"	59.013851
"971916"	297.110851	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+NaCOOH"	66.980151
"123375"	265.100102	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2Cl"	69.938804
"557833"	380.165452	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2Cl"	69.938804
"1026633"	150.034752	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2Cl"	69.938804
"1244026"	309.049585	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Br"	78.918885
"1305501"	311.105572	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl+HCOOH"	80.974872
"1326157"	333.087529	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl+NaCOOH"	102.956829
"923052"	343.116286	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M-H+CF3COOH"	112.985586
"1296479"	379.092964	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Cl+CF3COOH"	148.962264
"1375368"	195.118024	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H-2H2O"	-35.012676
"1390676"	213.128	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H-H2O"	-17.0027
"288174"	461.268676	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H"	1.007276
"678416"	691.399376	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H"	1.007276
"1355131"	231.137976	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H"	1.007276
"128020"	231.137976	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2H"	2.014552
"568310"	346.203326	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2H"	2.014552
"1044764"	116.072626	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2H"	2.014552
"210480"	154.427742666667	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+3H"	3.021828
"653323"	231.137976	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+3H"	3.021828
"1168167"	77.7175093333333	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+3H"	3.021828
"424320"	478.295223	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+NH4"	18.033823
"787332"	708.425923	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+NH4"	18.033823
"1682568"	248.164523	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+NH4"	18.033823
"330360"	239.6512495	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H+NH4"	19.041099
"724001"	354.7165995	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H+NH4"	19.041099
"1481105"	124.5858995	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+NH4"	19.041099
"397598"	483.250618	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Na"	22.989218
"756406"	713.381318	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+Na"	22.989218
"1606690"	253.119918	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na"	22.989218
"314533"	242.128947	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H+Na"	23.996494
"707108"	357.194297	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H+Na"	23.996494
"1461371"	127.063597	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+Na"	23.996494
"1054388"	85.0448233333333	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2H+Na"	25.00377
"1259712"	263.164186	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+CH3OH+H"	33.033486
"379746"	499.224558	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+K"	38.963158
"740739"	729.355258	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+K"	38.963158
"1542066"	269.093858	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K"	38.963158
"299724"	250.115917	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+H+K"	39.970434
"692758"	365.181267	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+H+K"	39.970434
"1458251"	135.050567	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+K"	39.970434
"241385"	502.295226	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+ACN+H"	42.033826
"1219563"	272.164526	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+ACN+H"	42.033826
"1196885"	136.585901	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+ACN+2H"	43.041102
"194131"	505.23256	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2Na-H"	44.97116
"636972"	735.36326	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2Na-H"	44.97116
"1137197"	275.10186	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2Na-H"	44.97116
"174652"	253.119918	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2Na"	45.978436
"613029"	368.185268	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2Na"	45.978436
"1116614"	138.054568	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2Na"	45.978436
"1399047"	92.3721373333333	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+2Na"	46.985712
"1431284"	277.143446	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+HCOOH"	47.012746
"220242"	258.15294	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+3H2O+2H"	56.04448
"1509043"	291.19549	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+IsoProp+H"	61.06479
"413000"	261.106888	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+Na+K"	61.952376
"774361"	376.172238	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+Na+K"	61.952376
"1667043"	146.041538	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na+K"	61.952376
"262318"	524.277168	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+ACN+Na"	64.015768
"1233203"	294.146468	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+ACN+Na"	64.015768
"1728172"	294.169993	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+NH4+HCOOH"	64.039293
"1194143"	99.6994513333333	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+3Na"	68.967654
"1664633"	299.125388	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na+HCOOH"	68.994688
"170766"	537.18044	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2K-H"	76.91904
"612684"	767.31114	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2K-H"	76.91904
"1099464"	307.04974	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2K-H"	76.91904
"157079"	269.093858	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"2M+2K"	77.926316
"595719"	384.159208	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"3M+2K"	77.926316
"1083632"	154.028508	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2K"	77.926316
"1115569"	309.064292	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2K+H"	78.933592
"1350548"	309.151907	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+DMSO+H"	79.021207
"1019320"	313.191076	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2ACN+H"	83.060376
"1539269"	314.184708	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+IsoProp+Na+H"	84.054008
"1001711"	157.099176	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+2ACN+2H"	84.067652
"1600588"	315.099328	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K+HCOOH"	84.968628
"1427338"	345.130838	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+H+CF3COOH"	115.000138
"1162000"	177.612451	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+3ACN+2H"	125.094202
"1707177"	362.157385	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+NH4+CF3COOH"	132.026685
"1640645"	367.11278	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+Na+CF3COOH"	136.98208
"1575202"	383.08672	"C17913"	"Isodehydrocostus lactone"	"C15H18O2"	"230.1307"	"M+K+CF3COOH"	152.95602
"811036"	218.1671	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M"	0
"987852"	199.14871	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"75002"	144.437457333333	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"517122"	217.159824	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"893463"	71.7150906666667	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"13856"	217.159824	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"448312"	326.243374	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"829391"	108.076274	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"91211"	435.326924	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"526768"	653.494024	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"906029"	217.159824	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"53475"	452.353471	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"496315"	670.520571	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"876306"	234.186371	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"42751"	457.308866	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"485228"	675.475966	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"859380"	239.141766	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1623446"	239.141766	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"105443"	235.148163	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"547434"	344.231713	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"941441"	126.064613	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"281092"	471.303602	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"674610"	689.470702	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1285919"	253.136502	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"30915"	473.282806	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"471164"	691.449906	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"847540"	255.115706	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1569691"	255.115706	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"956480"	263.165294	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"375424"	481.332401	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"359908"	495.348051	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1506798"	277.180951	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"973000"	285.147251	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"124701"	253.136502	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"556849"	362.220052	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1027835"	144.052952	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1246322"	297.085985	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1308768"	299.141972	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1325174"	321.123929	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"925596"	331.152686	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1301328"	367.129364	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1379852"	183.154424	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1392974"	201.1644	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"288285"	437.341476	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"679620"	655.508576	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1355970"	219.174376	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"127766"	219.174376	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"569513"	328.257926	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1041594"	110.090826	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"211683"	146.452009333333	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"645165"	219.174376	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1168277"	73.7296426666667	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"425105"	454.368023	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"786591"	672.535123	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1683400"	236.200923	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"331075"	227.6876495	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"726299"	336.7711995	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1481215"	118.6040995	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"398801"	459.323418	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"756516"	677.490518	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1605707"	241.156318	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"316227"	230.165347	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"707464"	339.248897	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1461389"	121.081797	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1054983"	81.0569566666667	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1259460"	251.200586	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"381315"	475.297358	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"739753"	693.464458	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1542538"	257.130258	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"299712"	238.152317	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"692256"	347.235867	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1458361"	129.068767	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"241495"	478.368026	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1217486"	260.200926	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1197359"	130.604101	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"195334"	481.30536	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"633802"	699.47246	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1135120"	263.13826	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"174398"	241.156318	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"613833"	350.239868	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1116966"	132.072768	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1398913"	88.3842706666667	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1431273"	265.179846	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"220277"	246.18934	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1509070"	279.23189	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"411651"	249.143288	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"774107"	358.226838	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1669705"	140.059738	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"263521"	500.349968	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1231126"	282.182868	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1720013"	282.206393	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1187555"	95.7115846666667	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1659635"	287.161788	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"169780"	513.25324	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"609340"	731.42034	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1098103"	295.08614	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"155774"	257.130258	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"596427"	366.213808	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1083012"	148.046708	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1114149"	297.100692	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1346528"	297.188307	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1019432"	301.227476	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1538411"	302.221108	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"1002550"	151.117376	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1599604"	303.135728	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1421981"	333.167238	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1159923"	171.630651	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1707287"	350.193785	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1640755"	355.14918	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1575312"	371.12312	"C17914"	"Nootkatone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"816615"	220.1827	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M"	0
"987963"	201.16431	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"77918"	145.781190666667	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"517234"	219.175424	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"894550"	72.3869573333333	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"15346"	219.175424	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"450609"	329.266774	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"829503"	109.084074	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"91685"	439.358124	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"531739"	659.540824	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"907231"	219.175424	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"60028"	456.384671	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"499832"	676.567371	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"876412"	236.201971	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"38847"	461.340066	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"478408"	681.522766	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"859491"	241.157366	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1626838"	241.157366	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"107740"	237.163763	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"546207"	347.255113	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"942614"	127.072413	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"282384"	475.334802	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"675217"	695.517502	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1288231"	255.152102	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"31269"	477.314006	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"470223"	697.496706	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"847416"	257.131306	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1570332"	257.131306	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"957319"	265.180894	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"375896"	485.363601	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"359410"	499.379251	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1506664"	279.196551	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"972505"	287.162851	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"124689"	255.152102	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"559147"	365.243452	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1032320"	145.060752	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1247525"	299.101585	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1307785"	301.157572	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1328566"	323.139529	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"925462"	333.168286	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1299981"	369.144964	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1377412"	185.170024	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1395276"	203.18	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"294594"	441.372676	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"679729"	661.555376	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1358633"	221.189976	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"132980"	221.189976	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"571810"	331.281326	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1041704"	111.098626	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"205592"	147.795742666667	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"650260"	221.189976	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1164010"	74.4015093333333	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"424604"	458.399223	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"786579"	678.581923	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1682417"	238.216523	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"332892"	229.7032495	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"731877"	339.7945995	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1484605"	119.6118995	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"398912"	463.354618	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"763188"	683.537318	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1606912"	243.171918	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"319134"	232.180947	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"707661"	342.272297	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1461843"	122.089597	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1054248"	81.7288233333333	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1258477"	253.216186	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"377782"	479.328558	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"739868"	699.511258	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1540583"	259.145858	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"299091"	240.167917	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"692612"	350.259267	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1447535"	130.076567	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"243793"	482.399226	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1216503"	262.216526	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1202573"	131.611901	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"202006"	485.33656	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"632819"	705.51926	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1139605"	265.15386	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"173741"	243.171918	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"615166"	353.263268	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1116356"	133.080568	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1399152"	89.0561373333333	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1430216"	267.195446	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"220230"	248.20494	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1508698"	281.24749	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"410668"	251.158888	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"771301"	361.250238	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1666291"	141.067538	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"260715"	504.381168	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1233423"	284.198468	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1720123"	284.221993	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1183289"	96.3834513333333	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1653545"	289.177388	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"167700"	517.28444	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"610543"	737.46714	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1096147"	297.10174	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"154056"	259.145858	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"594470"	369.237208	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1081414"	149.054508	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1114136"	299.116292	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1347730"	299.203907	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1019540"	303.243076	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1536572"	304.236708	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1001930"	152.125176	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1598621"	305.151328	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1423184"	335.182838	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1157846"	172.638451	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1707397"	352.209385	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1641958"	357.16478	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1575422"	373.13872	"C17915"	"Nootkatol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"811256"	190.063	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M"	0
"986979"	171.04461	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-H2O-H"	-19.01839
"74129"	125.701390666667	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M-3H"	-3.021828
"517945"	189.055724	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M-3H"	-3.021828
"895262"	62.3470573333333	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-3H"	-3.021828
"11160"	189.055724	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M-2H"	-2.014552
"447439"	284.087224	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M-2H"	-2.014552
"826331"	94.024224	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-2H"	-2.014552
"90701"	379.118724	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M-H"	-1.007276
"531723"	569.181724	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M-H"	-1.007276
"908797"	189.055724	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-H"	-1.007276
"60256"	396.145271	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M-2H+NH4"	16.019271
"498722"	586.208271	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M-2H+NH4"	16.019271
"876887"	206.082271	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-2H+NH4"	16.019271
"41140"	401.100666	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M-2H+Na"	20.974666
"480702"	591.163666	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M-2H+Na"	20.974666
"854133"	211.037666	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-2H+Na"	20.974666
"1626945"	211.037666	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Na-2H"	20.974666
"105663"	207.044063	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M-H+Cl"	33.962126
"545224"	302.075563	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M-H+Cl"	33.962126
"942164"	112.012563	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-H+Cl"	33.962126
"282372"	415.095402	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+Cl"	34.969402
"675194"	605.158402	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+Cl"	34.969402
"1287854"	225.032402	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Cl"	34.969402
"30814"	417.074606	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M-2H+K"	36.948606
"470457"	607.137606	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M-2H+K"	36.948606
"847769"	227.011606	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-2H+K"	36.948606
"1571009"	227.011606	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+K-2H"	36.948606
"958116"	235.061194	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-H+HCOOH"	44.998194
"376497"	425.124201	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+HCOOH-H"	44.998201
"360982"	439.139851	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+Hac-H"	59.013851
"1506167"	249.076851	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Hac-H"	59.013851
"973346"	257.043151	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-H+NaCOOH"	66.980151
"124437"	225.032402	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+2Cl"	69.938804
"560350"	320.063902	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+2Cl"	69.938804
"1026963"	130.000902	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2Cl"	69.938804
"1247271"	268.981885	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Br"	78.918885
"1319204"	271.037872	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Cl+HCOOH"	80.974872
"1331597"	293.019829	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Cl+NaCOOH"	102.956829
"923382"	303.048586	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M-H+CF3COOH"	112.985586
"1299362"	339.025264	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Cl+CF3COOH"	148.962264
"1376793"	155.050324	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H-2H2O"	-35.012676
"1393562"	173.0603	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H-H2O"	-17.0027
"294339"	381.133276	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+H"	1.007276
"678746"	571.196276	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+H"	1.007276
"1359107"	191.070276	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H"	1.007276
"132361"	191.070276	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+2H"	2.014552
"570827"	286.101776	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+2H"	2.014552
"1046188"	96.038776	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2H"	2.014552
"204973"	127.715942666667	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+3H"	3.021828
"650370"	191.070276	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+3H"	3.021828
"1166308"	64.3616093333333	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+3H"	3.021828
"424286"	398.159823	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+NH4"	18.033823
"786447"	588.222823	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+NH4"	18.033823
"1682893"	208.096823	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+NH4"	18.033823
"330065"	199.5835495	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+H+NH4"	19.041099
"731987"	294.6150495	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+H+NH4"	19.041099
"1484715"	104.5520495	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H+NH4"	19.041099
"399022"	403.115218	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+Na"	22.989218
"763298"	593.178218	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+Na"	22.989218
"1608115"	213.052218	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Na"	22.989218
"319608"	202.061247	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+H+Na"	23.996494
"707325"	297.092747	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+H+Na"	23.996494
"1461832"	107.029747	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H+Na"	23.996494
"1055086"	71.6889233333333	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2H+Na"	25.00377
"1258222"	223.096486	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+CH3OH+H"	33.033486
"378256"	419.089158	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+K"	38.963158
"740096"	609.152158	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+K"	38.963158
"1541298"	229.026158	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+K"	38.963158
"301025"	210.048217	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+H+K"	39.970434
"692357"	305.079717	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+H+K"	39.970434
"1446552"	115.016717	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H+K"	39.970434
"243903"	422.159826	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+ACN+H"	42.033826
"1213333"	232.096826	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+ACN+H"	42.033826
"1198310"	116.552051	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+ACN+2H"	43.041102
"198836"	425.09716	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+2Na-H"	44.97116
"632929"	615.16016	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+2Na-H"	44.97116
"1136435"	235.03416	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2Na-H"	44.97116
"173892"	213.052218	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+2Na"	45.978436
"615033"	308.083718	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+2Na"	45.978436
"1115662"	118.020718	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2Na"	45.978436
"1398777"	79.0162373333333	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H+2Na"	46.985712
"1430288"	237.075746	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H+HCOOH"	47.012746
"219995"	218.08524	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+3H2O+2H"	56.04448
"1508694"	251.12779	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+IsoProp+H"	61.06479
"409320"	221.039188	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+Na+K"	61.952376
"771775"	316.070688	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+Na+K"	61.952376
"1665764"	126.007688	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Na+K"	61.952376
"259730"	444.141768	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+ACN+Na"	64.015768
"1232439"	254.078768	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+ACN+Na"	64.015768
"1718046"	254.102293	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+NH4+HCOOH"	64.039293
"1184492"	86.3435513333333	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+3Na"	68.967654
"1654384"	259.057688	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Na+HCOOH"	68.994688
"167810"	457.04504	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+2K-H"	76.91904
"608464"	647.10804	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+2K-H"	76.91904
"1094069"	266.98204	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2K-H"	76.91904
"153073"	229.026158	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"2M+2K"	77.926316
"594822"	324.057658	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"3M+2K"	77.926316
"1081523"	133.994658	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2K"	77.926316
"1112543"	268.996592	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2K+H"	78.933592
"1348933"	269.084207	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+DMSO+H"	79.021207
"1017463"	273.123376	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2ACN+H"	83.060376
"1539234"	274.117008	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+IsoProp+Na+H"	84.054008
"1002038"	137.065326	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+2ACN+2H"	84.067652
"1599824"	275.031628	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+K+HCOOH"	84.968628
"1423294"	305.063138	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+H+CF3COOH"	115.000138
"1159050"	157.578601	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+3ACN+2H"	125.094202
"1707507"	322.089685	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+NH4+CF3COOH"	132.026685
"1638788"	327.04508	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+Na+CF3COOH"	136.98208
"1573343"	343.01902	"C17916"	"Coixinden A"	"C11H10O3"	"190.063"	"M+K+CF3COOH"	152.95602
"812459"	234.0892	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M"	0
"985996"	215.07081	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-H2O-H"	-19.01839
"70959"	155.052190666667	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M-3H"	-3.021828
"517809"	233.081924	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M-3H"	-3.021828
"895496"	77.0224573333333	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-3H"	-3.021828
"10175"	233.081924	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M-2H"	-2.014552
"446455"	350.126524	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M-2H"	-2.014552
"825348"	116.037324	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-2H"	-2.014552
"87530"	467.171124	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M-H"	-1.007276
"526000"	701.260324	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M-H"	-1.007276
"907812"	233.081924	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-H"	-1.007276
"58179"	484.197671	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M-2H+NH4"	16.019271
"495552"	718.286871	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M-2H+NH4"	16.019271
"874081"	250.108471	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-2H+NH4"	16.019271
"39063"	489.153066	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M-2H+Na"	20.974666
"473279"	723.242266	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M-2H+Na"	20.974666
"854243"	255.063866	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-2H+Na"	20.974666
"1623775"	255.063866	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Na-2H"	20.974666
"104680"	251.070263	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M-H+Cl"	33.962126
"546427"	368.114863	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M-H+Cl"	33.962126
"942717"	134.025663	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-H+Cl"	33.962126
"281908"	503.147802	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+Cl"	34.969402
"675059"	737.237002	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+Cl"	34.969402
"1288129"	269.058602	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Cl"	34.969402
"30995"	505.127006	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M-2H+K"	36.948606
"471333"	739.216206	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M-2H+K"	36.948606
"848494"	271.037806	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-2H+K"	36.948606
"1571160"	271.037806	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+K-2H"	36.948606
"957905"	279.087394	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-H+HCOOH"	44.998194
"376806"	513.176601	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+HCOOH-H"	44.998201
"360845"	527.192251	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+Hac-H"	59.013851
"1507610"	293.103051	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Hac-H"	59.013851
"973085"	301.069351	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-H+NaCOOH"	66.980151
"124179"	269.058602	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+2Cl"	69.938804
"557180"	386.103202	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+2Cl"	69.938804
"1027073"	152.014002	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2Cl"	69.938804
"1246651"	313.008085	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Br"	78.918885
"1316758"	315.064072	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Cl+HCOOH"	80.974872
"1332435"	337.046029	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Cl+NaCOOH"	102.956829
"920940"	347.074786	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M-H+CF3COOH"	112.985586
"1297649"	383.051464	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Cl+CF3COOH"	148.962264
"1377996"	199.076524	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H-2H2O"	-35.012676
"1395494"	217.0865	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H-H2O"	-17.0027
"294813"	469.185676	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+H"	1.007276
"676667"	703.274876	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+H"	1.007276
"1358488"	235.096476	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H"	1.007276
"132107"	235.096476	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+2H"	2.014552
"568749"	352.141076	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+2H"	2.014552
"1041924"	118.051876	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2H"	2.014552
"205449"	157.066742666667	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+3H"	3.021828
"645255"	235.096476	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+3H"	3.021828
"1163865"	79.0370093333333	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+3H"	3.021828
"424324"	486.212223	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+NH4"	18.033823
"785737"	720.301423	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+NH4"	18.033823
"1681667"	252.123023	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+NH4"	18.033823
"329997"	243.6097495	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+H+NH4"	19.041099
"733190"	360.6543495	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+H+NH4"	19.041099
"1484825"	126.5651495	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H+NH4"	19.041099
"395852"	491.167618	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+Na"	22.989218
"762315"	725.256818	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+Na"	22.989218
"1606403"	257.078418	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Na"	22.989218
"315345"	246.087447	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+H+Na"	23.996494
"707354"	363.132047	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+H+Na"	23.996494
"1461319"	129.042847	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H+Na"	23.996494
"1053123"	86.3643233333333	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2H+Na"	25.00377
"1257123"	267.122686	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+CH3OH+H"	33.033486
"377508"	507.141558	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+K"	38.963158
"738991"	741.230758	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+K"	38.963158
"1539983"	273.052358	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+K"	38.963158
"298605"	254.074417	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+H+K"	39.970434
"691403"	371.119017	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+H+K"	39.970434
"1447389"	137.029817	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H+K"	39.970434
"242920"	510.212226	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+ACN+H"	42.033826
"1213443"	276.123026	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+ACN+H"	42.033826
"1196233"	138.565151	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+ACN+2H"	43.041102
"195666"	513.14956	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+2Na-H"	44.97116
"633039"	747.23876	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+2Na-H"	44.97116
"1136545"	279.06036	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2Na-H"	44.97116
"173881"	257.078418	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+2Na"	45.978436
"614171"	374.123018	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+2Na"	45.978436
"1115965"	140.033818	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2Na"	45.978436
"1398674"	93.6916373333333	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H+2Na"	46.985712
"1430641"	281.101946	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H+HCOOH"	47.012746
"220161"	262.11144	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+3H2O+2H"	56.04448
"1508754"	295.15399	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+IsoProp+H"	61.06479
"410523"	265.065388	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+Na+K"	61.952376
"772977"	382.109988	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+Na+K"	61.952376
"1665733"	148.020788	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Na+K"	61.952376
"259840"	532.194168	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+ACN+Na"	64.015768
"1233642"	298.104968	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+ACN+Na"	64.015768
"1719249"	298.128493	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+NH4+HCOOH"	64.039293
"1181322"	101.018951333333	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+3Na"	68.967654
"1652308"	303.083888	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Na+HCOOH"	68.994688
"165733"	545.09744	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+2K-H"	76.91904
"605294"	779.18664	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+2K-H"	76.91904
"1094179"	311.00824	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2K-H"	76.91904
"153184"	273.052358	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"2M+2K"	77.926316
"595782"	390.096958	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"3M+2K"	77.926316
"1081632"	156.007758	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2K"	77.926316
"1110465"	313.022792	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2K+H"	78.933592
"1344669"	313.110407	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+DMSO+H"	79.021207
"1017572"	317.149576	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2ACN+H"	83.060376
"1539226"	318.143208	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+IsoProp+Na+H"	84.054008
"1004578"	159.078426	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+2ACN+2H"	84.067652
"1598837"	319.057828	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+K+HCOOH"	84.968628
"1421217"	349.089338	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+H+CF3COOH"	115.000138
"1158066"	179.591701	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+3ACN+2H"	125.094202
"1707617"	366.115885	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+NH4+CF3COOH"	132.026685
"1639991"	371.07128	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+Na+CF3COOH"	136.98208
"1572724"	387.04522	"C17917"	"Coixinden B"	"C13H14O4"	"234.0892"	"M+K+CF3COOH"	152.95602
"812569"	844.2426	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M"	0
"986106"	825.22421	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-H2O-H"	-19.01839
"71069"	561.821124	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M-3H"	-3.021828
"517677"	843.235324	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M-3H"	-3.021828
"893779"	280.406924	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-3H"	-3.021828
"9192"	843.235324	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M-2H"	-2.014552
"444378"	1265.356624	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M-2H"	-2.014552
"821085"	421.114024	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-2H"	-2.014552
"87640"	1687.477924	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M-H"	-1.007276
"527201"	2531.720524	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M-H"	-1.007276
"903910"	843.235324	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-H"	-1.007276
"55008"	1704.504471	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M-2H+NH4"	16.019271
"495662"	2548.747071	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M-2H+NH4"	16.019271
"871273"	860.261871	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-2H+NH4"	16.019271
"32734"	1709.459866	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M-2H+Na"	20.974666
"473389"	2553.702466	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M-2H+Na"	20.974666
"851073"	865.217266	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-2H+Na"	20.974666
"1622791"	865.217266	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Na-2H"	20.974666
"102604"	861.223663	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M-H+Cl"	33.962126
"545444"	1283.344963	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M-H+Cl"	33.962126
"942575"	439.102363	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-H+Cl"	33.962126
"282682"	1723.454602	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+Cl"	34.969402
"675047"	2567.697202	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+Cl"	34.969402
"1288188"	879.212002	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Cl"	34.969402
"31210"	1725.433806	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M-2H+K"	36.948606
"471029"	2569.676406	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M-2H+K"	36.948606
"848102"	881.191206	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-2H+K"	36.948606
"1569760"	881.191206	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+K-2H"	36.948606
"957525"	889.240794	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-H+HCOOH"	44.998194
"376387"	1733.483401	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+HCOOH-H"	44.998201
"355728"	1747.499051	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+Hac-H"	59.013851
"1501280"	903.256451	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Hac-H"	59.013851
"968820"	911.222751	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-H+NaCOOH"	66.980151
"116635"	879.212002	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+2Cl"	69.938804
"552917"	1301.333302	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+2Cl"	69.938804
"1023904"	457.090702	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2Cl"	69.938804
"1245669"	923.161485	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Br"	78.918885
"1316140"	925.217472	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Cl+HCOOH"	80.974872
"1335097"	947.199429	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Cl+NaCOOH"	102.956829
"923602"	957.228186	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M-H+CF3COOH"	112.985586
"1301769"	993.204864	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Cl+CF3COOH"	148.962264
"1379199"	809.229924	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H-2H2O"	-35.012676
"1395967"	827.2399	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H-H2O"	-17.0027
"289820"	1689.492476	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+H"	1.007276
"685523"	2533.735076	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+H"	1.007276
"1358598"	845.249876	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H"	1.007276
"129301"	845.249876	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+2H"	2.014552
"569952"	1267.371176	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+2H"	2.014552
"1039847"	423.128576	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2H"	2.014552
"205802"	563.835676	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+3H"	3.021828
"645365"	845.249876	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+3H"	3.021828
"1163851"	282.421476	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+3H"	3.021828
"424614"	1706.519023	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+NH4"	18.033823
"785973"	2550.761623	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+NH4"	18.033823
"1682142"	862.276423	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+NH4"	18.033823
"330420"	853.7631495	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+H+NH4"	19.041099
"733300"	1275.8844495	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+H+NH4"	19.041099
"1484935"	431.6418495	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H+NH4"	19.041099
"395962"	1711.474418	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+Na"	22.989218
"756958"	2555.717018	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+Na"	22.989218
"1606513"	867.231818	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Na"	22.989218
"315455"	856.240847	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+H+Na"	23.996494
"708721"	1278.362147	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+H+Na"	23.996494
"1462783"	434.119547	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H+Na"	23.996494
"1053841"	289.74879	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2H+Na"	25.00377
"1257467"	877.276086	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+CH3OH+H"	33.033486
"378105"	1727.448358	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+K"	38.963158
"741288"	2571.690958	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+K"	38.963158
"1540098"	883.205758	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+K"	38.963158
"299299"	864.227817	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+H+K"	39.970434
"691596"	1286.349117	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+H+K"	39.970434
"1446770"	442.106517	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H+K"	39.970434
"243030"	1730.519026	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+ACN+H"	42.033826
"1215739"	886.276426	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+ACN+H"	42.033826
"1197436"	443.641851	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+ACN+2H"	43.041102
"192496"	1733.45636	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+2Na-H"	44.97116
"633149"	2577.69896	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+2Na-H"	44.97116
"1133495"	889.21376	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2Na-H"	44.97116
"173217"	867.231818	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+2Na"	45.978436
"612975"	1289.353118	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+2Na"	45.978436
"1115870"	445.110518	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2Na"	45.978436
"1398489"	297.076104	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H+2Na"	46.985712
"1429967"	891.255346	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H+HCOOH"	47.012746
"220094"	872.26484	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+3H2O+2H"	56.04448
"1509836"	905.30739	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+IsoProp+H"	61.06479
"410633"	875.218788	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+Na+K"	61.952376
"772723"	1297.340088	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+Na+K"	61.952376
"1665924"	453.097488	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Na+K"	61.952376
"259950"	1752.500968	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+ACN+Na"	64.015768
"1231565"	908.258368	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+ACN+Na"	64.015768
"1717172"	908.281893	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+NH4+HCOOH"	64.039293
"1181433"	304.403418	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+3Na"	68.967654
"1652418"	913.237288	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Na+HCOOH"	68.994688
"165843"	1765.40424	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+2K-H"	76.91904
"605404"	2609.64684	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+2K-H"	76.91904
"1091009"	921.16164	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2K-H"	76.91904
"148918"	883.205758	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"2M+2K"	77.926316
"589573"	1305.327058	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"3M+2K"	77.926316
"1078462"	461.084458	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2K"	77.926316
"1108389"	923.176192	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2K+H"	78.933592
"1341499"	923.263807	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+DMSO+H"	79.021207
"1015495"	927.302976	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2ACN+H"	83.060376
"1537997"	928.296608	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+IsoProp+Na+H"	84.054008
"1003350"	464.155126	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+2ACN+2H"	84.067652
"1598947"	929.211228	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+K+HCOOH"	84.968628
"1421327"	959.242738	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+H+CF3COOH"	115.000138
"1157083"	484.668401	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+3ACN+2H"	125.094202
"1707727"	976.269285	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+NH4+CF3COOH"	132.026685
"1637915"	981.22468	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+Na+CF3COOH"	136.98208
"1573563"	997.19862	"C17918"	"Scabraside"	"C40H44O20"	"844.2426"	"M+K+CF3COOH"	152.95602
"812684"	798.2219	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M"	0
"982937"	779.20351	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-H2O-H"	-19.01839
"75553"	531.140657333333	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M-3H"	-3.021828
"511833"	797.214624	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M-3H"	-3.021828
"892916"	265.066690666667	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-3H"	-3.021828
"7117"	797.214624	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M-2H"	-2.014552
"444489"	1196.325574	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M-2H"	-2.014552
"817548"	398.103674	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-2H"	-2.014552
"89939"	1595.436524	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M-H"	-1.007276
"528405"	2393.658424	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M-H"	-1.007276
"905114"	797.214624	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-H"	-1.007276
"54024"	1612.463071	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M-2H+NH4"	16.019271
"496867"	2410.684971	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M-2H+NH4"	16.019271
"872481"	814.241171	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-2H+NH4"	16.019271
"39284"	1617.418466	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M-2H+Na"	20.974666
"479937"	2415.640366	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M-2H+Na"	20.974666
"854459"	819.196566	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-2H+Na"	20.974666
"1620714"	819.196566	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Na-2H"	20.974666
"94486"	815.202963	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M-H+Cl"	33.962126
"545553"	1214.313913	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M-H+Cl"	33.962126
"942320"	416.092013	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-H+Cl"	33.962126
"281886"	1631.413202	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+Cl"	34.969402
"675491"	2429.635102	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+Cl"	34.969402
"1288299"	833.191302	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Cl"	34.969402
"30813"	1633.392406	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M-2H+K"	36.948606
"470775"	2431.614306	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M-2H+K"	36.948606
"847720"	835.170506	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-2H+K"	36.948606
"1569871"	835.170506	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+K-2H"	36.948606
"957511"	843.220094	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-H+HCOOH"	44.998194
"375847"	1641.442001	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+HCOOH-H"	44.998201
"359849"	1655.457651	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+Hac-H"	59.013851
"1506860"	857.235751	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Hac-H"	59.013851
"972211"	865.202051	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-H+NaCOOH"	66.980151
"125130"	833.191302	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+2Cl"	69.938804
"561774"	1232.302252	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+2Cl"	69.938804
"1029480"	434.080352	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2Cl"	69.938804
"1247967"	877.140785	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Br"	78.918885
"1316978"	879.196772	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Cl+HCOOH"	80.974872
"1330101"	901.178729	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Cl+NaCOOH"	102.956829
"925903"	911.207486	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M-H+CF3COOH"	112.985586
"1303344"	947.184164	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Cl+CF3COOH"	148.962264
"1381136"	763.209224	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H-2H2O"	-35.012676
"1396079"	781.2192	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H-H2O"	-17.0027
"295036"	1597.451076	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+H"	1.007276
"687823"	2395.672976	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+H"	1.007276
"1357616"	799.229176	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H"	1.007276
"129410"	799.229176	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+2H"	2.014552
"575533"	1198.340126	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+2H"	2.014552
"1043238"	400.118226	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2H"	2.014552
"207126"	533.155209333333	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+3H"	3.021828
"645595"	799.229176	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+3H"	3.021828
"1165544"	267.081242666667	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+3H"	3.021828
"425049"	1614.477623	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+NH4"	18.033823
"787018"	2412.699523	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+NH4"	18.033823
"1682863"	816.255723	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+NH4"	18.033823
"330899"	807.7424495	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+H+NH4"	19.041099
"732316"	1206.8533995	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+H+NH4"	19.041099
"1485045"	408.6314995	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H+NH4"	19.041099
"398259"	1619.433018	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+Na"	22.989218
"760348"	2417.654918	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+Na"	22.989218
"1606987"	821.211118	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Na"	22.989218
"325041"	810.220147	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+H+Na"	23.996494
"714180"	1209.331097	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+H+Na"	23.996494
"1466908"	411.109197	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H+Na"	23.996494
"1055172"	274.408556666667	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2H+Na"	25.00377
"1258550"	831.255386	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+CH3OH+H"	33.033486
"378583"	1635.406958	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+K"	38.963158
"738809"	2433.628858	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+K"	38.963158
"1541630"	837.185058	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+K"	38.963158
"299171"	818.207117	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+H+K"	39.970434
"691428"	1217.318067	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+H+K"	39.970434
"1447610"	419.096167	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H+K"	39.970434
"244233"	1638.477626	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+ACN+H"	42.033826
"1215849"	840.255726	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+ACN+H"	42.033826
"1196816"	420.631501	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+ACN+2H"	43.041102
"189039"	1641.41496	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+2Na-H"	44.97116
"629491"	2439.63686	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+2Na-H"	44.97116
"1133484"	843.19306	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2Na-H"	44.97116
"173411"	821.211118	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+2Na"	45.978436
"613419"	1220.322068	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+2Na"	45.978436
"1115630"	422.100168	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2Na"	45.978436
"1398533"	281.735870666667	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H+2Na"	46.985712
"1429905"	845.234646	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H+HCOOH"	47.012746
"220547"	826.24414	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+3H2O+2H"	56.04448
"1508732"	859.28669	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+IsoProp+H"	61.06479
"413295"	829.198088	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+Na+K"	61.952376
"772833"	1228.309038	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+Na+K"	61.952376
"1666205"	430.087138	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Na+K"	61.952376
"256780"	1660.459568	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+ACN+Na"	64.015768
"1231675"	862.237668	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+ACN+Na"	64.015768
"1718375"	862.261193	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+NH4+HCOOH"	64.039293
"1183729"	289.063184666667	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+3Na"	68.967654
"1653622"	867.216588	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Na+HCOOH"	68.994688
"163766"	1673.36284	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+2K-H"	76.91904
"605514"	2471.58474	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+2K-H"	76.91904
"1095493"	875.14094	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2K-H"	76.91904
"151216"	837.185058	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"2M+2K"	77.926316
"589683"	1236.296008	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"3M+2K"	77.926316
"1077478"	438.074108	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2K"	77.926316
"1109593"	877.155492	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2K+H"	78.933592
"1347076"	877.243107	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+DMSO+H"	79.021207
"1013419"	881.282276	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2ACN+H"	83.060376
"1534824"	882.275908	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+IsoProp+Na+H"	84.054008
"1000178"	441.144776	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+2ACN+2H"	84.067652
"1599056"	883.190528	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+K+HCOOH"	84.968628
"1424717"	913.222038	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+H+CF3COOH"	115.000138
"1151726"	461.658051	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+3ACN+2H"	125.094202
"1702370"	930.248585	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+NH4+CF3COOH"	132.026685
"1638025"	935.20398	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+Na+CF3COOH"	136.98208
"1585704"	951.17792	"C17919"	"Rindoside"	"C35H42O21"	"798.2219"	"M+K+CF3COOH"	152.95602
"813888"	304.2402	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M"	0
"983047"	285.22181	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"73477"	201.819524	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"509755"	303.232924	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"889746"	100.406124	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"5040"	303.232924	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"445692"	455.353024	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"818510"	151.112824	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"87861"	607.473124	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"526329"	911.713324	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"905224"	303.232924	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"55225"	624.499671	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"495879"	928.739871	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"871493"	320.259471	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"33195"	629.455066	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"472751"	933.695266	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"852378"	325.214866	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1620824"	325.214866	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"98445"	321.221263	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"541288"	473.341363	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"941863"	169.101163	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"282121"	643.449802	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"674909"	947.690002	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1287303"	339.209602	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"27671"	645.429006	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"470392"	949.669206	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"846856"	341.188806	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1569616"	341.188806	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"955673"	349.238394	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"373159"	653.478601	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"359228"	667.494251	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1507212"	363.254051	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"972321"	371.220351	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"124512"	339.209602	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"559697"	491.329702	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1026672"	187.089502	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1246984"	383.159085	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1317088"	385.215072	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1329118"	407.197029	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"925648"	417.225786	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1303737"	453.202464	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1381367"	269.227524	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1396918"	287.2375	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"295146"	609.487676	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"686109"	913.727876	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1360637"	305.247476	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"131706"	305.247476	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"570171"	457.367576	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1042253"	153.127376	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"206872"	203.834076	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"647524"	305.247476	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1168934"	102.420676	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"424432"	626.514223	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"786641"	930.754423	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1684066"	322.274023	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"331253"	313.7607495	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"724404"	465.8808495	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1481872"	161.6406495	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"399462"	631.469618	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"760458"	935.709818	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1607097"	327.229418	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"329404"	316.238447	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"720852"	468.358547	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1467018"	164.118347	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1055890"	109.74799	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1260849"	337.273686	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"380150"	647.443558	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"741145"	951.683758	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1541378"	343.203358	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"299645"	324.225417	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"692800"	476.345517	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1448449"	172.105317	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"245437"	650.514226	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1217053"	346.274026	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1194861"	173.640651	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"189920"	653.45156	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"631182"	957.69176	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1131533"	349.21136	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"173018"	327.229418	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"615352"	479.349518	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1116091"	175.109318	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1398727"	117.075304	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1430477"	351.252946	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"221145"	332.26244	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1508968"	365.30499	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"411948"	335.216388	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"770757"	487.336488	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1666113"	183.096288	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"256890"	672.496168	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1229599"	368.255968	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1718485"	368.279493	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1179139"	124.402618	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1653730"	373.234888	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"158406"	685.39944	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"599060"	989.63964	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1087949"	381.15924	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"145126"	343.203358	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"587604"	495.323458	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1078681"	191.083258	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1107516"	383.173792	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1339531"	383.261407	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1013529"	387.300576	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1531654"	388.294208	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"997007"	194.153926	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1596979"	389.208828	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1422640"	419.240338	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1150743"	214.667201	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1702480"	436.266885	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1639228"	441.22228	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1585814"	457.19622	"C17920"	"Dihydroabietic acid"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"815820"	932.4617	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M"	0
"985344"	913.44331	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-H2O-H"	-19.01839
"75774"	620.633857333333	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M-3H"	-3.021828
"514239"	931.454424	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M-3H"	-3.021828
"886576"	309.813290666667	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-3H"	-3.021828
"9524"	931.454424	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M-2H"	-2.014552
"445802"	1397.685274	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M-2H"	-2.014552
"818621"	465.223574	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-2H"	-2.014552
"89066"	1863.916124	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M-H"	-1.007276
"526438"	2796.377824	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M-H"	-1.007276
"897677"	931.454424	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-H"	-1.007276
"49866"	1880.942671	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M-2H+NH4"	16.019271
"497081"	2813.404371	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M-2H+NH4"	16.019271
"869415"	948.480971	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-2H+NH4"	16.019271
"34035"	1885.898066	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M-2H+Na"	20.974666
"474687"	2818.359766	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M-2H+Na"	20.974666
"851395"	953.436366	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-2H+Na"	20.974666
"1625307"	953.436366	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Na-2H"	20.974666
"100741"	949.442763	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M-H+Cl"	33.962126
"541398"	1415.673613	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M-H+Cl"	33.962126
"942458"	483.211913	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-H+Cl"	33.962126
"282469"	1899.892802	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+Cl"	34.969402
"675378"	2832.354502	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+Cl"	34.969402
"1287737"	967.431102	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Cl"	34.969402
"28146"	1901.872006	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M-2H+K"	36.948606
"471353"	2834.333706	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M-2H+K"	36.948606
"846964"	969.410306	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-2H+K"	36.948606
"1569726"	969.410306	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+K-2H"	36.948606
"956512"	977.459894	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-H+HCOOH"	44.998194
"373999"	1909.921601	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+HCOOH-H"	44.998201
"358857"	1923.937251	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+Hac-H"	59.013851
"1504529"	991.475551	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Hac-H"	59.013851
"972556"	999.441851	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-H+NaCOOH"	66.980151
"125112"	967.431102	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+2Cl"	69.938804
"558714"	1433.661952	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+2Cl"	69.938804
"1029698"	501.200252	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2Cl"	69.938804
"1254388"	1011.380585	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Br"	78.918885
"1316834"	1013.436572	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Cl+HCOOH"	80.974872
"1330321"	1035.418529	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Cl+NaCOOH"	102.956829
"926977"	1045.447286	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M-H+CF3COOH"	112.985586
"1303196"	1081.423964	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Cl+CF3COOH"	148.962264
"1381842"	897.449024	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H-2H2O"	-35.012676
"1394112"	915.459	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H-H2O"	-17.0027
"295256"	1865.930676	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+H"	1.007276
"684396"	2798.392376	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+H"	1.007276
"1362569"	933.468976	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H"	1.007276
"130724"	933.468976	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+2H"	2.014552
"569189"	1399.699826	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+2H"	2.014552
"1041271"	467.238126	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2H"	2.014552
"209168"	622.648409333333	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+3H"	3.021828
"647635"	933.468976	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+3H"	3.021828
"1171231"	311.827842666667	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+3H"	3.021828
"431228"	1882.957223	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+NH4"	18.033823
"787239"	2815.418923	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+NH4"	18.033823
"1683811"	950.495523	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+NH4"	18.033823
"333551"	941.9822495	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+H+NH4"	19.041099
"728159"	1408.2130995	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+H+NH4"	19.041099
"1487449"	475.7513995	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H+NH4"	19.041099
"401759"	1887.912618	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+Na"	22.989218
"763848"	2820.374318	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+Na"	22.989218
"1613039"	955.450918	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Na"	22.989218
"321982"	944.459947	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+H+Na"	23.996494
"719869"	1410.690797	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+H+Na"	23.996494
"1471502"	478.229097	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H+Na"	23.996494
"1058188"	319.155156666667	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2H+Na"	25.00377
"1263146"	965.495186	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+CH3OH+H"	33.033486
"379899"	1903.886558	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+K"	38.963158
"739920"	2836.348258	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+K"	38.963158
"1541854"	971.424858	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+K"	38.963158
"300487"	952.446917	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+H+K"	39.970434
"694369"	1418.677767	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+H+K"	39.970434
"1451474"	486.216067	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H+K"	39.970434
"245549"	1906.957226	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+ACN+H"	42.033826
"1216070"	974.495526	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+ACN+H"	42.033826
"1197768"	487.751401	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+ACN+2H"	43.041102
"192826"	1909.89456	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+2Na-H"	44.97116
"632387"	2842.35626	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+2Na-H"	44.97116
"1136984"	977.43286	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2Na-H"	44.97116
"174564"	955.450918	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+2Na"	45.978436
"613512"	1421.681768	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+2Na"	45.978436
"1116244"	489.220068	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2Na"	45.978436
"1400423"	326.482470666667	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H+2Na"	46.985712
"1430350"	979.474446	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H+HCOOH"	47.012746
"221018"	960.48394	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+3H2O+2H"	56.04448
"1509567"	993.52649	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+IsoProp+H"	61.06479
"416432"	963.437888	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+Na+K"	61.952376
"772083"	1429.668738	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+Na+K"	61.952376
"1666019"	497.207038	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Na+K"	61.952376
"255906"	1928.939168	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+ACN+Na"	64.015768
"1230801"	996.477468	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+ACN+Na"	64.015768
"1715314"	996.500993	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+NH4+HCOOH"	64.039293
"1178925"	333.809784666667	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+3Na"	68.967654
"1653840"	1001.456388	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Na+HCOOH"	68.994688
"160703"	1941.84244	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+2K-H"	76.91904
"598439"	2874.30414	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+2K-H"	76.91904
"1090245"	1009.38074	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2K-H"	76.91904
"147059"	971.424858	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"2M+2K"	77.926316
"588808"	1437.655708	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"3M+2K"	77.926316
"1074416"	505.194008	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2K"	77.926316
"1105436"	1011.395292	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2K+H"	78.933592
"1337455"	1011.482907	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+DMSO+H"	79.021207
"1010358"	1015.522076	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2ACN+H"	83.060376
"1531764"	1016.515708	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+IsoProp+Na+H"	84.054008
"997117"	508.264676	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+2ACN+2H"	84.067652
"1594902"	1017.430328	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+K+HCOOH"	84.968628
"1424937"	1047.461838	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+H+CF3COOH"	115.000138
"1151946"	528.777951	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+3ACN+2H"	125.094202
"1705870"	1064.488385	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+NH4+CF3COOH"	132.026685
"1643712"	1069.44378	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+Na+CF3COOH"	136.98208
"1585924"	1085.41772	"C17921"	"Scopoloside I"	"C45H72O20"	"932.4617"	"M+K+CF3COOH"	152.95602
"814837"	770.4089	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M"	0
"984361"	751.39051	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-H2O-H"	-19.01839
"76978"	512.598657333333	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M-3H"	-3.021828
"515443"	769.401624	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M-3H"	-3.021828
"885592"	255.795690666667	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-3H"	-3.021828
"7448"	769.401624	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M-2H"	-2.014552
"445912"	1154.606074	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M-2H"	-2.014552
"820796"	384.197174	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-2H"	-2.014552
"89904"	1539.810524	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M-H"	-1.007276
"528734"	2310.219424	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M-H"	-1.007276
"899973"	769.401624	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-H"	-1.007276
"53255"	1556.837071	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M-2H+NH4"	16.019271
"496098"	2327.245971	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M-2H+NH4"	16.019271
"869525"	786.428171	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-2H+NH4"	16.019271
"37424"	1561.792466	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M-2H+Na"	20.974666
"475890"	2332.201366	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M-2H+Na"	20.974666
"851505"	791.383566	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-2H+Na"	20.974666
"1625418"	791.383566	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Na-2H"	20.974666
"99758"	787.389963	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M-H+Cl"	33.962126
"538228"	1172.594413	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M-H+Cl"	33.962126
"939765"	402.185513	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-H+Cl"	33.962126
"282456"	1575.787202	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+Cl"	34.969402
"674755"	2346.196102	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+Cl"	34.969402
"1285335"	805.378302	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Cl"	34.969402
"28255"	1577.766406	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M-2H+K"	36.948606
"471063"	2348.175306	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M-2H+K"	36.948606
"845981"	807.357506	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-2H+K"	36.948606
"1570443"	807.357506	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+K-2H"	36.948606
"955895"	815.407094	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-H+HCOOH"	44.998194
"372286"	1585.816001	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+HCOOH-H"	44.998201
"358359"	1599.831651	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+Hac-H"	59.013851
"1505368"	829.422751	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Hac-H"	59.013851
"972543"	837.389051	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-H+NaCOOH"	66.980151
"124365"	805.378302	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+2Cl"	69.938804
"559917"	1190.582752	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+2Cl"	69.938804
"1027986"	420.173852	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2Cl"	69.938804
"1255957"	849.327785	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Br"	78.918885
"1316215"	851.383772	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Cl+HCOOH"	80.974872
"1328245"	873.365729	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Cl+NaCOOH"	102.956829
"927015"	883.394486	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M-H+CF3COOH"	112.985586
"1304109"	919.371164	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Cl+CF3COOH"	148.962264
"1378184"	735.396224	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H-2H2O"	-35.012676
"1393857"	753.4062	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H-H2O"	-17.0027
"292814"	1541.825076	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+H"	1.007276
"683777"	2312.233976	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+H"	1.007276
"1359035"	771.416176	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H"	1.007276
"136301"	771.416176	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+2H"	2.014552
"570394"	1156.620626	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+2H"	2.014552
"1039680"	386.211726	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2H"	2.014552
"207215"	514.613209333333	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+3H"	3.021828
"647747"	771.416176	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+3H"	3.021828
"1169154"	257.810242666667	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+3H"	3.021828
"431338"	1558.851623	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+NH4"	18.033823
"786377"	2329.260523	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+NH4"	18.033823
"1682097"	788.442723	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+NH4"	18.033823
"330987"	779.9294495	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+H+NH4"	19.041099
"727176"	1165.1338995	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+H+NH4"	19.041099
"1487559"	394.7249995	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H+NH4"	19.041099
"394577"	1563.807018	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+Na"	22.989218
"756666"	2334.215918	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+Na"	22.989218
"1613147"	793.398118	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Na"	22.989218
"328773"	782.407147	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+H+Na"	23.996494
"718885"	1167.611597	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+H+Na"	23.996494
"1473798"	397.202697	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H+Na"	23.996494
"1058661"	265.137556666667	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2H+Na"	25.00377
"1263255"	803.442386	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+CH3OH+H"	33.033486
"377821"	1579.780958	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+K"	38.963158
"739544"	2350.189858	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+K"	38.963158
"1540871"	809.372058	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+K"	38.963158
"299870"	790.394117	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+H+K"	39.970434
"693384"	1175.598567	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+H+K"	39.970434
"1450491"	405.189667	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H+K"	39.970434
"245660"	1582.851626	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+ACN+H"	42.033826
"1217274"	812.442726	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+ACN+H"	42.033826
"1201158"	406.725001	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+ACN+2H"	43.041102
"192936"	1585.78896	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+2Na-H"	44.97116
"634684"	2356.19786	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+2Na-H"	44.97116
"1137094"	815.38006	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2Na-H"	44.97116
"177469"	793.398118	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+2Na"	45.978436
"613338"	1178.602568	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+2Na"	45.978436
"1116764"	408.193668	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2Na"	45.978436
"1399561"	272.464870666667	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H+2Na"	46.985712
"1430581"	817.421646	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H+HCOOH"	47.012746
"220396"	798.43114	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+3H2O+2H"	56.04448
"1510652"	831.47369	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+IsoProp+H"	61.06479
"411075"	801.385088	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+Na+K"	61.952376
"772072"	1186.589538	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+Na+K"	61.952376
"1666455"	416.180638	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Na+K"	61.952376
"253830"	1604.833568	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+ACN+Na"	64.015768
"1228725"	834.424668	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+ACN+Na"	64.015768
"1713073"	834.448193	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+NH4+HCOOH"	64.039293
"1180778"	279.792184666667	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+3Na"	68.967654
"1651765"	839.403588	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Na+HCOOH"	68.994688
"159841"	1617.73684	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+2K-H"	76.91904
"598549"	2388.14574	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+2K-H"	76.91904
"1090355"	847.32794	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2K-H"	76.91904
"149356"	809.372058	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"2M+2K"	77.926316
"588918"	1194.576508	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"3M+2K"	77.926316
"1072340"	424.167608	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2K"	77.926316
"1106640"	849.342492	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2K+H"	78.933592
"1340844"	849.430107	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+DMSO+H"	79.021207
"1012655"	853.469276	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2ACN+H"	83.060376
"1531874"	854.462908	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+IsoProp+Na+H"	84.054008
"998322"	427.238276	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+2ACN+2H"	84.067652
"1593920"	855.377528	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+K+HCOOH"	84.968628
"1426141"	885.409038	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+H+CF3COOH"	115.000138
"1153149"	447.751551	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+3ACN+2H"	125.094202
"1704887"	902.435585	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+NH4+CF3COOH"	132.026685
"1644915"	907.39098	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+Na+CF3COOH"	136.98208
"1586034"	923.36492	"C17922"	"Scopoloside II"	"C39H62O15"	"770.4089"	"M+K+CF3COOH"	152.95602
"816404"	183.0895	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M"	0
"988845"	164.07111	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H2O-H"	-19.01839
"78375"	121.052390666667	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-3H"	-3.021828
"514460"	182.082224	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-3H"	-3.021828
"881692"	60.0225573333333	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-3H"	-3.021828
"10838"	182.082224	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H"	-2.014552
"446022"	273.626974	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H"	-2.014552
"820543"	90.537474	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H"	-2.014552
"89285"	365.171724	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-H"	-1.007276
"527751"	548.261224	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-H"	-1.007276
"898990"	182.082224	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H"	-1.007276
"54458"	382.198271	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H+NH4"	16.019271
"489645"	565.287771	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H+NH4"	16.019271
"872914"	199.108771	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H+NH4"	16.019271
"38627"	387.153666	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H+Na"	20.974666
"474907"	570.243166	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H+Na"	20.974666
"851615"	204.064166	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H+Na"	20.974666
"1625528"	204.064166	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na-2H"	20.974666
"100961"	200.070563	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-H+Cl"	33.962126
"540525"	291.615313	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-H+Cl"	33.962126
"940239"	108.525813	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+Cl"	33.962126
"282323"	401.148402	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Cl"	34.969402
"675108"	584.237902	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+Cl"	34.969402
"1287758"	218.058902	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl"	34.969402
"30554"	403.127606	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M-2H+K"	36.948606
"471141"	586.217106	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M-2H+K"	36.948606
"846458"	220.038106	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-2H+K"	36.948606
"1568851"	220.038106	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K-2H"	36.948606
"954548"	228.087694	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+HCOOH"	44.998194
"373490"	411.177201	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+HCOOH-H"	44.998201
"358469"	425.192851	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Hac-H"	59.013851
"1502926"	242.103351	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Hac-H"	59.013851
"970833"	250.069651	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+NaCOOH"	66.980151
"122652"	218.058902	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2Cl"	69.938804
"560027"	309.603652	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2Cl"	69.938804
"1029918"	126.514152	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2Cl"	69.938804
"1252783"	262.008385	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Br"	78.918885
"1312314"	264.064372	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl+HCOOH"	80.974872
"1327259"	286.046329	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl+NaCOOH"	102.956829
"923059"	296.075086	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M-H+CF3COOH"	112.985586
"1300861"	332.051764	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Cl+CF3COOH"	148.962264
"1373188"	148.076824	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H-2H2O"	-35.012676
"1389591"	166.0868	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H-H2O"	-17.0027
"288184"	367.186276	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H"	1.007276
"684979"	550.275776	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H"	1.007276
"1356958"	184.096776	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H"	1.007276
"134225"	184.096776	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2H"	2.014552
"570505"	275.641526	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2H"	2.014552
"1042585"	92.552026	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2H"	2.014552
"207204"	123.066942666667	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+3H"	3.021828
"647857"	184.096776	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+3H"	3.021828
"1168171"	62.0371093333333	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+3H"	3.021828
"431448"	384.212823	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+NH4"	18.033823
"786245"	567.302323	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+NH4"	18.033823
"1682209"	201.123323	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+NH4"	18.033823
"330733"	192.6100495	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H+NH4"	19.041099
"727286"	284.1547995	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H+NH4"	19.041099
"1490949"	101.0652995	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+NH4"	19.041099
"393957"	389.168218	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Na"	22.989218
"755073"	572.257718	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+Na"	22.989218
"1609977"	206.078718	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na"	22.989218
"329126"	195.087747	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H+Na"	23.996494
"716808"	286.632497	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H+Na"	23.996494
"1473544"	103.542997	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+Na"	23.996494
"1061687"	69.3644233333333	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2H+Na"	25.00377
"1264459"	216.122986	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+CH3OH+H"	33.033486
"377605"	405.142158	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+K"	38.963158
"738962"	588.231658	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+K"	38.963158
"1540981"	222.052658	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K"	38.963158
"304354"	203.074717	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+H+K"	39.970434
"692402"	294.619467	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+H+K"	39.970434
"1448415"	111.529967	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+K"	39.970434
"242488"	408.212826	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+ACN+H"	42.033826
"1218477"	225.123326	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+ACN+H"	42.033826
"1199082"	113.065301	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+ACN+2H"	43.041102
"195233"	411.15016	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2Na-H"	44.97116
"636980"	594.23966	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2Na-H"	44.97116
"1137569"	228.06066	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2Na-H"	44.97116
"176849"	206.078718	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2Na"	45.978436
"613857"	297.623468	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2Na"	45.978436
"1116633"	114.533968	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2Na"	45.978436
"1398819"	76.6917373333333	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+2Na"	46.985712
"1429960"	230.102246	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+HCOOH"	47.012746
"221605"	211.11174	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+3H2O+2H"	56.04448
"1509304"	244.15429	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+IsoProp+H"	61.06479
"413372"	214.065688	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+Na+K"	61.952376
"772181"	305.610438	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+Na+K"	61.952376
"1667416"	122.520938	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na+K"	61.952376
"256127"	430.194768	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+ACN+Na"	64.015768
"1231021"	247.105268	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+ACN+Na"	64.015768
"1714075"	247.128793	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+NH4+HCOOH"	64.039293
"1183075"	84.0190513333333	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+3Na"	68.967654
"1654063"	252.084188	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na+HCOOH"	68.994688
"162016"	443.09804	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2K-H"	76.91904
"605954"	626.18754	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2K-H"	76.91904
"1091559"	260.00854	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2K-H"	76.91904
"146190"	222.052658	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"2M+2K"	77.926316
"587934"	313.597408	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"3M+2K"	77.926316
"1074636"	130.507908	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2K"	77.926316
"1101530"	262.023092	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2K+H"	78.933592
"1344235"	262.110707	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+DMSO+H"	79.021207
"1014951"	266.149876	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2ACN+H"	83.060376
"1533076"	267.143508	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+IsoProp+Na+H"	84.054008
"999526"	133.578576	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+2ACN+2H"	84.067652
"1591843"	268.058128	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K+HCOOH"	84.968628
"1426251"	298.089638	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+H+CF3COOH"	115.000138
"1153259"	154.091851	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+3ACN+2H"	125.094202
"1704997"	315.116185	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+NH4+CF3COOH"	132.026685
"1647212"	320.07158	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+Na+CF3COOH"	136.98208
"1586144"	336.04552	"C17925"	"Nordephrine;alpha-Methylnorepinephrine;alpha-Methylnoradrenaline"	"C9H13NO3"	"183.0895"	"M+K+CF3COOH"	152.95602
"816394"	108.0687	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M"	0
"988713"	89.05031	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-H2O-H"	-19.01839
"77199"	71.038524	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M-3H"	-3.021828
"515666"	107.061424	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M-3H"	-3.021828
"884718"	35.015624	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-3H"	-3.021828
"10948"	107.061424	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M-2H"	-2.014552
"450508"	161.095774	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M-2H"	-2.014552
"820656"	53.027074	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-2H"	-2.014552
"85023"	215.130124	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M-H"	-1.007276
"523488"	323.198824	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M-H"	-1.007276
"901291"	107.061424	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-H"	-1.007276
"53476"	232.156671	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M-2H+NH4"	16.019271
"489755"	340.225371	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M-2H+NH4"	16.019271
"871933"	124.087971	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-2H+NH4"	16.019271
"32542"	237.112066	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M-2H+Na"	20.974666
"473925"	345.180766	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M-2H+Na"	20.974666
"851727"	129.043366	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-2H+Na"	20.974666
"1625639"	129.043366	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Na-2H"	20.974666
"99976"	125.049763	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M-H+Cl"	33.962126
"548295"	179.084113	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M-H+Cl"	33.962126
"942262"	71.015413	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-H+Cl"	33.962126
"281832"	251.106802	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+Cl"	34.969402
"674863"	359.175502	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+Cl"	34.969402
"1287386"	143.038102	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Cl"	34.969402
"30301"	253.086006	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M-2H+K"	36.948606
"470954"	361.154706	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M-2H+K"	36.948606
"847299"	145.017306	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-2H+K"	36.948606
"1570058"	145.017306	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+K-2H"	36.948606
"957212"	153.066894	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-H+HCOOH"	44.998194
"376520"	261.135601	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+HCOOH-H"	44.998201
"360893"	275.151251	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+Hac-H"	59.013851
"1508024"	167.082551	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Hac-H"	59.013851
"969120"	175.048851	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-H+NaCOOH"	66.980151
"119484"	143.038102	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+2Cl"	69.938804
"560138"	197.072452	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+2Cl"	69.938804
"1030028"	89.003752	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2Cl"	69.938804
"1253622"	186.987585	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Br"	78.918885
"1314614"	189.043572	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Cl+HCOOH"	80.974872
"1327369"	211.025529	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Cl+NaCOOH"	102.956829
"921346"	221.054286	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M-H+CF3COOH"	112.985586
"1297325"	257.030964	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Cl+CF3COOH"	148.962264
"1378039"	73.056024	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H-2H2O"	-35.012676
"1392619"	91.066	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H-H2O"	-17.0027
"295588"	217.144676	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+H"	1.007276
"681810"	325.213376	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+H"	1.007276
"1352690"	109.075976	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H"	1.007276
"136155"	109.075976	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+2H"	2.014552
"576085"	163.110326	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+2H"	2.014552
"1043789"	55.041626	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2H"	2.014552
"206222"	73.053076	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+3H"	3.021828
"649062"	109.075976	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+3H"	3.021828
"1167190"	37.030176	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+3H"	3.021828
"431558"	234.171223	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+NH4"	18.033823
"786355"	342.239923	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+NH4"	18.033823
"1681836"	126.102523	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+NH4"	18.033823
"341537"	117.5892495	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+H+NH4"	19.041099
"736874"	171.6235995	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+H+NH4"	19.041099
"1491425"	63.5548995	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H+NH4"	19.041099
"393459"	239.126618	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+Na"	22.989218
"760896"	347.195318	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+Na"	22.989218
"1613367"	131.057918	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Na"	22.989218
"327899"	120.066947	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+H+Na"	23.996494
"715824"	174.101297	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+H+Na"	23.996494
"1474991"	66.032597	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H+Na"	23.996494
"1062890"	44.35749	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2H+Na"	25.00377
"1266755"	141.102186	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+CH3OH+H"	33.033486
"378772"	255.100558	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+K"	38.963158
"738672"	363.169258	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+K"	38.963158
"1541454"	147.031858	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+K"	38.963158
"305558"	128.053917	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+H+K"	39.970434
"694699"	182.088267	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+H+K"	39.970434
"1447431"	74.019567	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H+K"	39.970434
"242598"	258.171226	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+ACN+H"	42.033826
"1218587"	150.102526	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+ACN+H"	42.033826
"1200285"	75.554901	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+ACN+2H"	43.041102
"195343"	261.10856	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+2Na-H"	44.97116
"637090"	369.17726	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+2Na-H"	44.97116
"1137315"	153.03986	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2Na-H"	44.97116
"176960"	131.057918	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+2Na"	45.978436
"613967"	185.092268	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+2Na"	45.978436
"1117108"	77.023568	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2Na"	45.978436
"1401362"	51.684804	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H+2Na"	46.985712
"1430925"	155.081446	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H+HCOOH"	47.012746
"221225"	136.09094	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+3H2O+2H"	56.04448
"1511966"	169.13349	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+IsoProp+H"	61.06479
"413482"	139.044888	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+Na+K"	61.952376
"773383"	193.079238	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+Na+K"	61.952376
"1667162"	85.010538	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Na+K"	61.952376
"256237"	280.153168	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+ACN+Na"	64.015768
"1226029"	172.084468	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+ACN+Na"	64.015768
"1712803"	172.107993	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+NH4+HCOOH"	64.039293
"1179540"	59.012118	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+3Na"	68.967654
"1651013"	177.063388	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Na+HCOOH"	68.994688
"158968"	293.05644	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+2K-H"	76.91904
"601689"	401.12514	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+2K-H"	76.91904
"1088389"	184.98774	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2K-H"	76.91904
"144476"	147.031858	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"2M+2K"	77.926316
"585128"	201.066208	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"3M+2K"	77.926316
"1081680"	92.997508	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2K"	77.926316
"1101400"	187.002292	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2K+H"	78.933592
"1337051"	187.089907	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+DMSO+H"	79.021207
"1016156"	191.129076	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2ACN+H"	83.060376
"1534283"	192.122708	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+IsoProp+Na+H"	84.054008
"993077"	96.068176	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+2ACN+2H"	84.067652
"1594140"	193.037328	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+K+HCOOH"	84.968628
"1420894"	223.068838	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+H+CF3COOH"	115.000138
"1153369"	116.581451	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+3ACN+2H"	125.094202
"1706200"	240.095385	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+NH4+CF3COOH"	132.026685
"1641856"	245.05078	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+Na+CF3COOH"	136.98208
"1586254"	261.02472	"C17926"	"2-Pyridinemethanamine"	"C6H8N2"	"108.0687"	"M+K+CF3COOH"	152.95602
"813339"	128.0408	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M"	0
"989318"	109.02241	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-H2O-H"	-19.01839
"77805"	84.3532573333333	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M-3H"	-3.021828
"517356"	127.033524	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M-3H"	-3.021828
"890296"	41.6729906666667	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-3H"	-3.021828
"12151"	127.033524	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M-2H"	-2.014552
"451711"	191.053924	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M-2H"	-2.014552
"827325"	63.013124	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-2H"	-2.014552
"88413"	255.074324	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M-H"	-1.007276
"526878"	383.115124	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M-H"	-1.007276
"904681"	127.033524	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-H"	-1.007276
"52493"	272.100871	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M-2H+NH4"	16.019271
"489865"	400.141671	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M-2H+NH4"	16.019271
"869855"	144.060071	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-2H+NH4"	16.019271
"33503"	277.056266	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M-2H+Na"	20.974666
"474035"	405.097066	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M-2H+Na"	20.974666
"849158"	149.015466	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-2H+Na"	20.974666
"1626842"	149.015466	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Na-2H"	20.974666
"96807"	145.021863	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M-H+Cl"	33.962126
"546580"	209.042263	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M-H+Cl"	33.962126
"942531"	81.001463	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-H+Cl"	33.962126
"282556"	291.051002	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+Cl"	34.969402
"675340"	419.091802	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+Cl"	34.969402
"1288226"	163.010202	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Cl"	34.969402
"28955"	293.030206	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M-2H+K"	36.948606
"469243"	421.071006	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M-2H+K"	36.948606
"847291"	164.989406	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-2H+K"	36.948606
"1569444"	164.989406	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+K-2H"	36.948606
"956598"	173.038994	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-H+HCOOH"	44.998194
"374440"	301.079801	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+HCOOH-H"	44.998201
"360397"	315.095451	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+Hac-H"	59.013851
"1507529"	187.054651	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Hac-H"	59.013851
"970323"	195.020951	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-H+NaCOOH"	66.980151
"119594"	163.010202	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+2Cl"	69.938804
"558062"	227.030602	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+2Cl"	69.938804
"1029046"	98.989802	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2Cl"	69.938804
"1250816"	206.959685	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Br"	78.918885
"1315088"	209.015672	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Cl+HCOOH"	80.974872
"1329665"	230.997629	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Cl+NaCOOH"	102.956829
"922549"	241.026386	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M-H+CF3COOH"	112.985586
"1296341"	277.003064	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Cl+CF3COOH"	148.962264
"1378513"	93.028124	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H-2H2O"	-35.012676
"1392365"	111.0381	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H-H2O"	-17.0027
"295698"	257.088876	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+H"	1.007276
"684472"	385.129676	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+H"	1.007276
"1352313"	129.048076	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H"	1.007276
"133347"	129.048076	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+2H"	2.014552
"577289"	193.068476	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+2H"	2.014552
"1043899"	65.027676	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2H"	2.014552
"212894"	86.3678093333333	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+3H"	3.021828
"648082"	129.048076	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+3H"	3.021828
"1169489"	43.6875426666667	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+3H"	3.021828
"431668"	274.115423	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+NH4"	18.033823
"787923"	402.156223	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+NH4"	18.033823
"1684254"	146.074623	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+NH4"	18.033823
"340553"	137.5613495	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+H+NH4"	19.041099
"734068"	201.5817495	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+H+NH4"	19.041099
"1482792"	73.5409495	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H+NH4"	19.041099
"394178"	279.070818	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+Na"	22.989218
"767565"	407.111618	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+Na"	22.989218
"1611290"	151.030018	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Na"	22.989218
"318412"	140.039047	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+H+Na"	23.996494
"719216"	204.059447	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+H+Na"	23.996494
"1473036"	76.018647	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H+Na"	23.996494
"1061907"	51.0148566666667	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2H+Na"	25.00377
"1269053"	161.074286	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+CH3OH+H"	33.033486
"379977"	295.044758	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+K"	38.963158
"743159"	423.085558	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+K"	38.963158
"1543025"	167.003958	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+K"	38.963158
"303481"	148.026017	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+H+K"	39.970434
"693716"	212.046417	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+H+K"	39.970434
"1446926"	84.005617	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H+K"	39.970434
"237595"	298.115426	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+ACN+H"	42.033826
"1210549"	170.074626	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+ACN+H"	42.033826
"1201491"	85.540951	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+ACN+2H"	43.041102
"195455"	301.05276	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+2Na-H"	44.97116
"635013"	429.09356	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+2Na-H"	44.97116
"1135605"	173.01196	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2Na-H"	44.97116
"179259"	151.030018	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+2Na"	45.978436
"615172"	215.050418	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+2Na"	45.978436
"1118311"	87.009618	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2Na"	45.978436
"1406214"	58.3421706666667	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H+2Na"	46.985712
"1436144"	175.053546	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H+HCOOH"	47.012746
"226933"	156.06304	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+3H2O+2H"	56.04448
"1511349"	189.10559	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+IsoProp+H"	61.06479
"420151"	159.016988	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+Na+K"	61.952376
"772400"	223.037388	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+Na+K"	61.952376
"1667634"	94.996588	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Na+K"	61.952376
"253062"	320.097368	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+ACN+Na"	64.015768
"1233429"	192.056568	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+ACN+Na"	64.015768
"1720129"	192.080093	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+NH4+HCOOH"	64.039293
"1186578"	65.6694846666667	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+3Na"	68.967654
"1653190"	197.035488	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Na+HCOOH"	68.994688
"162240"	333.00064	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+2K-H"	76.91904
"607997"	461.04144	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+2K-H"	76.91904
"1088864"	204.95984	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2K-H"	76.91904
"145678"	167.003958	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"2M+2K"	77.926316
"584874"	231.024358	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"3M+2K"	77.926316
"1081427"	102.983558	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2K"	77.926316
"1108070"	206.974392	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2K+H"	78.933592
"1345550"	207.062007	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+DMSO+H"	79.021207
"1015904"	211.101176	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2ACN+H"	83.060376
"1532935"	212.094808	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+IsoProp+Na+H"	84.054008
"1001206"	106.054226	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+2ACN+2H"	84.067652
"1594250"	213.009428	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+K+HCOOH"	84.968628
"1423190"	243.040938	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+H+CF3COOH"	115.000138
"1154572"	126.567501	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+3ACN+2H"	125.094202
"1706310"	260.067485	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+NH4+CF3COOH"	132.026685
"1641966"	265.02288	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+Na+CF3COOH"	136.98208
"1586364"	280.99682	"C17927"	"Thiazolylethylamine;2-(2-Aminoethyl)thiazole"	"C5H8N2S"	"128.0408"	"M+K+CF3COOH"	152.95602
"813449"	125.0953	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M"	0
"988081"	106.07691	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H2O-H"	-19.01839
"78155"	82.3895906666667	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-3H"	-3.021828
"515883"	124.088024	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-3H"	-3.021828
"893685"	40.6911573333333	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-3H"	-3.021828
"12260"	124.088024	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H"	-2.014552
"448540"	186.635674	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H"	-2.014552
"827435"	61.540374	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H"	-2.014552
"89617"	249.183324	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-H"	-1.007276
"523709"	374.278624	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-H"	-1.007276
"901511"	124.088024	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H"	-1.007276
"55885"	266.209871	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+NH4"	16.019271
"498725"	391.305171	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+NH4"	16.019271
"875433"	141.114571	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+NH4"	16.019271
"36773"	271.165266	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+Na"	20.974666
"476333"	396.260566	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+Na"	20.974666
"853041"	146.069966	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+Na"	20.974666
"1621484"	146.069966	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na-2H"	20.974666
"96917"	142.076363	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-H+Cl"	33.962126
"546325"	204.624013	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-H+Cl"	33.962126
"942036"	79.528713	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+Cl"	33.962126
"282298"	285.160002	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Cl"	34.969402
"674720"	410.255302	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Cl"	34.969402
"1287121"	160.064702	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl"	34.969402
"29673"	287.139206	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+K"	36.948606
"468626"	412.234506	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+K"	36.948606
"846066"	162.043906	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+K"	36.948606
"1570280"	162.043906	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K-2H"	36.948606
"957069"	170.093494	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+HCOOH"	44.998194
"374189"	295.188801	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+HCOOH-H"	44.998201
"360750"	309.204451	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Hac-H"	59.013851
"1505447"	184.109151	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Hac-H"	59.013851
"970433"	192.075451	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+NaCOOH"	66.980151
"118247"	160.064702	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Cl"	69.938804
"558172"	222.612352	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Cl"	69.938804
"1028427"	97.517052	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Cl"	69.938804
"1246551"	204.014185	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Br"	78.918885
"1311187"	206.070172	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+HCOOH"	80.974872
"1325767"	228.052129	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+NaCOOH"	102.956829
"920837"	238.080886	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+CF3COOH"	112.985586
"1294265"	274.057564	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+CF3COOH"	148.962264
"1377166"	90.082624	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H-2H2O"	-35.012676
"1391017"	108.0926	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H-H2O"	-17.0027
"294350"	251.197876	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H"	1.007276
"685676"	376.293176	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H"	1.007276
"1352910"	126.102576	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H"	1.007276
"127991"	126.102576	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2H"	2.014552
"579586"	188.650226	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2H"	2.014552
"1044009"	63.554926	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2H"	2.014552
"210818"	84.4041426666667	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+3H"	3.021828
"656941"	126.102576	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+3H"	3.021828
"1169599"	42.7057093333333	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3H"	3.021828
"431778"	268.224423	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+NH4"	18.033823
"789856"	393.319723	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+NH4"	18.033823
"1684000"	143.129123	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4"	18.033823
"334102"	134.6158495	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+NH4"	19.041099
"734178"	197.1634995	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+NH4"	19.041099
"1489094"	72.0681995	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+NH4"	19.041099
"393923"	273.179818	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Na"	22.989218
"756739"	398.275118	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Na"	22.989218
"1606662"	148.084518	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na"	22.989218
"319615"	137.093547	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+Na"	23.996494
"717140"	199.641197	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+Na"	23.996494
"1473148"	74.545897	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+Na"	23.996494
"1059830"	50.0330233333333	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2H+Na"	25.00377
"1263695"	158.128786	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+CH3OH+H"	33.033486
"380086"	289.153758	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+K"	38.963158
"740352"	414.249058	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+K"	38.963158
"1540824"	164.058458	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K"	38.963158
"300311"	145.080517	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+K"	39.970434
"694191"	207.628167	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+K"	39.970434
"1446186"	82.532867	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+K"	39.970434
"240622"	292.224426	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+ACN+H"	42.033826
"1210050"	167.129126	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+H"	42.033826
"1203788"	84.068201	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+2H"	43.041102
"196657"	295.16176	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Na-H"	44.97116
"637310"	420.25706	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Na-H"	44.97116
"1139725"	170.06646	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Na-H"	44.97116
"177545"	148.084518	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Na"	45.978436
"614551"	210.632168	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Na"	45.978436
"1117082"	85.536868	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Na"	45.978436
"1404866"	57.3603373333333	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+2Na"	46.985712
"1436254"	172.108046	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+HCOOH"	47.012746
"225950"	153.11754	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+3H2O+2H"	56.04448
"1517293"	186.16009	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+IsoProp+H"	61.06479
"411512"	156.071488	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Na+K"	61.952376
"775789"	218.619138	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Na+K"	61.952376
"1669205"	93.523838	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+K"	61.952376
"252928"	314.206368	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+ACN+Na"	64.015768
"1232446"	189.111068	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+Na"	64.015768
"1720239"	189.134593	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4+HCOOH"	64.039293
"1186688"	64.6876513333333	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3Na"	68.967654
"1653300"	194.089988	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+HCOOH"	68.994688
"162350"	327.10964	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2K-H"	76.91904
"602274"	452.20494	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2K-H"	76.91904
"1091159"	202.01434	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K-H"	76.91904
"146882"	164.058458	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2K"	77.926316
"584985"	226.606108	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2K"	77.926316
"1080807"	101.510808	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K"	77.926316
"1110732"	204.028892	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K+H"	78.933592
"1346753"	204.116507	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+DMSO+H"	79.021207
"1015284"	208.155676	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2ACN+H"	83.060376
"1532314"	209.149308	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+IsoProp+Na+H"	84.054008
"998762"	104.581476	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2ACN+2H"	84.067652
"1597640"	210.063928	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K+HCOOH"	84.968628
"1421115"	240.095438	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+CF3COOH"	115.000138
"1155776"	125.094751	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3ACN+2H"	125.094202
"1705327"	257.121985	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4+CF3COOH"	132.026685
"1642076"	262.07738	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+CF3COOH"	136.98208
"1586474"	278.05132	"C17928"	"2-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K+CF3COOH"	152.95602
"816357"	125.0953	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M"	0
"989902"	106.07691	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H2O-H"	-19.01839
"78516"	82.3895906666667	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-3H"	-3.021828
"518509"	124.088024	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-3H"	-3.021828
"895254"	40.6911573333333	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-3H"	-3.021828
"13464"	124.088024	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H"	-2.014552
"454727"	186.635674	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H"	-2.014552
"832248"	61.540374	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H"	-2.014552
"93822"	249.183324	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-H"	-1.007276
"532202"	374.278624	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-H"	-1.007276
"907817"	124.088024	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H"	-1.007276
"60005"	266.209871	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+NH4"	16.019271
"492274"	391.305171	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+NH4"	16.019271
"874450"	141.114571	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+NH4"	16.019271
"46362"	271.165266	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+Na"	20.974666
"484098"	396.260566	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+Na"	20.974666
"854244"	146.069966	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+Na"	20.974666
"1630340"	146.069966	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na-2H"	20.974666
"100307"	142.076363	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-H+Cl"	33.962126
"539867"	204.624013	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-H+Cl"	33.962126
"938854"	79.528713	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+Cl"	33.962126
"277413"	285.160002	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Cl"	34.969402
"675355"	410.255302	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Cl"	34.969402
"1288048"	160.064702	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl"	34.969402
"30968"	287.139206	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M-2H+K"	36.948606
"470930"	412.234506	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M-2H+K"	36.948606
"847271"	162.043906	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-2H+K"	36.948606
"1570025"	162.043906	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K-2H"	36.948606
"958344"	170.093494	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+HCOOH"	44.998194
"376813"	295.188801	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+HCOOH-H"	44.998201
"361270"	309.204451	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Hac-H"	59.013851
"1504464"	184.109151	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Hac-H"	59.013851
"968721"	192.075451	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+NaCOOH"	66.980151
"119813"	160.064702	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Cl"	69.938804
"558282"	222.612352	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Cl"	69.938804
"1027444"	97.517052	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Cl"	69.938804
"1245932"	204.014185	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Br"	78.918885
"1309111"	206.070172	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+HCOOH"	80.974872
"1328795"	228.052129	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+NaCOOH"	102.956829
"922041"	238.080886	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M-H+CF3COOH"	112.985586
"1301302"	274.057564	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Cl+CF3COOH"	148.962264
"1377276"	90.082624	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H-2H2O"	-35.012676
"1391127"	108.0926	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H-H2O"	-17.0027
"294460"	251.197876	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H"	1.007276
"687609"	376.293176	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H"	1.007276
"1356302"	126.102576	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H"	1.007276
"128830"	126.102576	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2H"	2.014552
"570944"	188.650226	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2H"	2.014552
"1040839"	63.554926	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2H"	2.014552
"208740"	84.4041426666667	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+3H"	3.021828
"648300"	126.102576	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+3H"	3.021828
"1164238"	42.7057093333333	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3H"	3.021828
"424834"	268.224423	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+NH4"	18.033823
"790697"	393.319723	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+NH4"	18.033823
"1683381"	143.129123	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4"	18.033823
"336400"	134.6158495	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+NH4"	19.041099
"732102"	197.1634995	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+NH4"	19.041099
"1488111"	72.0681995	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+NH4"	19.041099
"399142"	273.179818	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Na"	22.989218
"757949"	398.275118	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Na"	22.989218
"1607138"	148.084518	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na"	22.989218
"319366"	137.093547	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+Na"	23.996494
"711418"	199.641197	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+Na"	23.996494
"1471072"	74.545897	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+Na"	23.996494
"1057756"	50.0330233333333	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2H+Na"	25.00377
"1262713"	158.128786	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+CH3OH+H"	33.033486
"379464"	289.153758	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+K"	38.963158
"740824"	414.249058	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+K"	38.963158
"1542153"	164.058458	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K"	38.963158
"300421"	145.080517	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+H+K"	39.970434
"692844"	207.628167	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+H+K"	39.970434
"1447758"	82.532867	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+K"	39.970434
"237457"	292.224426	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+ACN+H"	42.033826
"1211015"	167.129126	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+H"	42.033826
"1203897"	84.068201	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+2H"	43.041102
"198589"	295.16176	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Na-H"	44.97116
"635596"	420.25706	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Na-H"	44.97116
"1138738"	170.06646	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Na-H"	44.97116
"177654"	148.084518	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2Na"	45.978436
"614296"	210.632168	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2Na"	45.978436
"1117316"	85.536868	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2Na"	45.978436
"1407529"	57.3603373333333	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+2Na"	46.985712
"1436365"	172.108046	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+HCOOH"	47.012746
"228248"	153.11754	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+3H2O+2H"	56.04448
"1515217"	186.16009	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+IsoProp+H"	61.06479
"413810"	156.071488	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+Na+K"	61.952376
"771160"	218.619138	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+Na+K"	61.952376
"1666762"	93.523838	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+K"	61.952376
"253285"	314.206368	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+ACN+Na"	64.015768
"1231827"	189.111068	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+ACN+Na"	64.015768
"1723630"	189.134593	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4+HCOOH"	64.039293
"1186800"	64.6876513333333	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3Na"	68.967654
"1655597"	194.089988	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+HCOOH"	68.994688
"160636"	327.10964	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2K-H"	76.91904
"608582"	452.20494	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2K-H"	76.91904
"1093096"	202.01434	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K-H"	76.91904
"154285"	164.058458	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"2M+2K"	77.926316
"594942"	226.606108	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"3M+2K"	77.926316
"1079455"	101.510808	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K"	77.926316
"1113395"	204.028892	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2K+H"	78.933592
"1350509"	204.116507	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+DMSO+H"	79.021207
"1019043"	208.155676	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2ACN+H"	83.060376
"1534612"	209.149308	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+IsoProp+Na+H"	84.054008
"999968"	104.581476	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+2ACN+2H"	84.067652
"1601762"	210.063928	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K+HCOOH"	84.968628
"1422318"	240.095438	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+H+CF3COOH"	115.000138
"1155887"	125.094751	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+3ACN+2H"	125.094202
"1705437"	257.121985	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+NH4+CF3COOH"	132.026685
"1648383"	262.07738	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+Na+CF3COOH"	136.98208
"1586584"	278.05132	"C17929"	"4-Methylhistamine"	"C6H11N3"	"125.0953"	"M+K+CF3COOH"	152.95602
"813669"	161.0987	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M"	0
"987208"	142.08031	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-H2O-H"	-19.01839
"76542"	106.391857333333	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M-3H"	-3.021828
"517197"	160.091424	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M-3H"	-3.021828
"890623"	52.6922906666667	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-3H"	-3.021828
"5918"	160.091424	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M-2H"	-2.014552
"448760"	240.640774	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M-2H"	-2.014552
"827656"	79.542074	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-2H"	-2.014552
"90929"	321.190124	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M-H"	-1.007276
"525022"	482.288824	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M-H"	-1.007276
"907927"	160.091424	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-H"	-1.007276
"57198"	338.216671	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M-2H+NH4"	16.019271
"492384"	499.315371	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M-2H+NH4"	16.019271
"874560"	177.117971	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-2H+NH4"	16.019271
"43556"	343.172066	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M-2H+Na"	20.974666
"482021"	504.270766	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M-2H+Na"	20.974666
"854354"	182.073366	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-2H+Na"	20.974666
"1626076"	182.073366	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Na-2H"	20.974666
"100416"	178.079763	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M-H+Cl"	33.962126
"538884"	258.629113	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M-H+Cl"	33.962126
"931307"	97.530413	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-H+Cl"	33.962126
"274967"	357.166802	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+Cl"	34.969402
"667756"	518.265502	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+Cl"	34.969402
"1287575"	196.068102	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Cl"	34.969402
"31153"	359.146006	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M-2H+K"	36.948606
"471240"	520.244706	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M-2H+K"	36.948606
"847624"	198.047306	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-2H+K"	36.948606
"1569769"	198.047306	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+K-2H"	36.948606
"958414"	206.096894	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-H+HCOOH"	44.998194
"375869"	367.195601	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+HCOOH-H"	44.998201
"361349"	381.211251	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+Hac-H"	59.013851
"1506395"	220.112551	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Hac-H"	59.013851
"968831"	228.078851	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-H+NaCOOH"	66.980151
"118830"	196.068102	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+2Cl"	69.938804
"557299"	276.617452	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+2Cl"	69.938804
"1027191"	115.518752	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2Cl"	69.938804
"1244585"	240.017585	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Br"	78.918885
"1310314"	242.073572	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Cl+HCOOH"	80.974872
"1328905"	264.055529	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Cl+NaCOOH"	102.956829
"921058"	274.084286	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M-H+CF3COOH"	112.985586
"1301412"	310.060964	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Cl+CF3COOH"	148.962264
"1378114"	126.086024	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H-2H2O"	-35.012676
"1391237"	144.096	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H-H2O"	-17.0027
"294934"	323.204676	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+H"	1.007276
"687719"	484.303376	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+H"	1.007276
"1354225"	162.105976	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H"	1.007276
"127482"	162.105976	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+2H"	2.014552
"573241"	242.655326	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+2H"	2.014552
"1040949"	81.556626	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2H"	2.014552
"208850"	108.406409333333	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+3H"	3.021828
"647317"	162.105976	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+3H"	3.021828
"1163254"	54.7068426666667	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+3H"	3.021828
"424860"	340.231223	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+NH4"	18.033823
"790078"	501.329923	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+NH4"	18.033823
"1685313"	179.132523	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+NH4"	18.033823
"335781"	170.6192495	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+H+NH4"	19.041099
"731119"	251.1685995	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+H+NH4"	19.041099
"1482752"	90.0698995	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H+NH4"	19.041099
"402532"	345.186618	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+Na"	22.989218
"758787"	506.285318	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+Na"	22.989218
"1606520"	184.087918	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Na"	22.989218
"317289"	173.096947	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+H+Na"	23.996494
"708246"	253.646297	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+H+Na"	23.996494
"1471182"	92.547597	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H+Na"	23.996494
"1056771"	62.0341566666667	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2H+Na"	25.00377
"1262825"	194.132186	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+CH3OH+H"	33.033486
"380303"	361.160558	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+K"	38.963158
"740571"	522.259258	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+K"	38.963158
"1542264"	200.061858	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+K"	38.963158
"299803"	181.083917	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+H+K"	39.970434
"695141"	261.633267	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+H+K"	39.970434
"1446775"	100.534567	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H+K"	39.970434
"236472"	364.231226	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+ACN+H"	42.033826
"1210642"	203.132526	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+ACN+H"	42.033826
"1200727"	102.069901	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+ACN+2H"	43.041102
"197970"	367.16856	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+2Na-H"	44.97116
"633883"	528.26726	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+2Na-H"	44.97116
"1138848"	206.06986	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2Na-H"	44.97116
"177764"	184.087918	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+2Na"	45.978436
"614409"	264.637268	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+2Na"	45.978436
"1117184"	103.538568	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2Na"	45.978436
"1407639"	69.3614706666667	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H+2Na"	46.985712
"1437568"	208.111446	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H+HCOOH"	47.012746
"229451"	189.12094	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+3H2O+2H"	56.04448
"1515327"	222.16349	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+IsoProp+H"	61.06479
"415013"	192.074888	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+Na+K"	61.952376
"772727"	272.624238	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+Na+K"	61.952376
"1667599"	111.525538	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Na+K"	61.952376
"253758"	386.213168	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+ACN+Na"	64.015768
"1226832"	225.114468	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+ACN+Na"	64.015768
"1717908"	225.137993	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+NH4+HCOOH"	64.039293
"1185087"	76.6887846666667	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+3Na"	68.967654
"1656436"	230.093388	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Na+HCOOH"	68.994688
"169130"	399.11644	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+2K-H"	76.91904
"605410"	560.21514	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+2K-H"	76.91904
"1093206"	238.01774	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2K-H"	76.91904
"154395"	200.061858	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"2M+2K"	77.926316
"591770"	280.611208	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"3M+2K"	77.926316
"1079200"	119.512508	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2K"	77.926316
"1108400"	240.032292	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2K+H"	78.933592
"1344785"	240.119907	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+DMSO+H"	79.021207
"1017326"	244.159076	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2ACN+H"	83.060376
"1531442"	245.152708	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+IsoProp+Na+H"	84.054008
"994610"	122.583176	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+2ACN+2H"	84.067652
"1597860"	246.067328	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+K+HCOOH"	84.968628
"1420242"	276.098838	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+H+CF3COOH"	115.000138
"1159277"	143.096451	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+3ACN+2H"	125.094202
"1704453"	293.125385	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+NH4+CF3COOH"	132.026685
"1648493"	298.08078	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+Na+CF3COOH"	136.98208
"1586694"	314.05472	"C17930"	"Dimaprit"	"C6H15N3S"	"161.0987"	"M+K+CF3COOH"	152.95602
"811593"	170.0626	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M"	0
"987318"	151.04421	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-H2O-H"	-19.01839
"74465"	112.367790666667	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M-3H"	-3.021828
"516942"	169.055324	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M-3H"	-3.021828
"891826"	55.6802573333333	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-3H"	-3.021828
"6028"	169.055324	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M-2H"	-2.014552
"448870"	254.086624	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M-2H"	-2.014552
"827765"	84.024024	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-2H"	-2.014552
"86665"	339.117924	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M-H"	-1.007276
"521850"	509.180524	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M-H"	-1.007276
"908037"	169.055324	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-H"	-1.007276
"57308"	356.144471	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M-2H+NH4"	16.019271
"492494"	526.207071	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M-2H+NH4"	16.019271
"874670"	186.081871	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-2H+NH4"	16.019271
"41480"	361.099866	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M-2H+Na"	20.974666
"481038"	531.162466	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M-2H+Na"	20.974666
"855557"	191.037266	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-2H+Na"	20.974666
"1626186"	191.037266	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Na-2H"	20.974666
"100526"	187.043663	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M-H+Cl"	33.962126
"541180"	272.074963	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M-H+Cl"	33.962126
"933603"	102.012363	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-H+Cl"	33.962126
"276534"	375.094602	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+Cl"	34.969402
"668228"	545.157202	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+Cl"	34.969402
"1285738"	205.032002	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Cl"	34.969402
"30777"	377.073806	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M-2H+K"	36.948606
"469689"	547.136406	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M-2H+K"	36.948606
"845302"	207.011206	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-2H+K"	36.948606
"1569150"	207.011206	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+K-2H"	36.948606
"954481"	215.060794	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-H+HCOOH"	44.998194
"374886"	385.123401	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+HCOOH-H"	44.998201
"359864"	399.139051	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+Hac-H"	59.013851
"1506141"	229.076451	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Hac-H"	59.013851
"966754"	237.042751	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-H+NaCOOH"	66.980151
"116024"	205.032002	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+2Cl"	69.938804
"557409"	290.063302	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+2Cl"	69.938804
"1027665"	120.000702	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2Cl"	69.938804
"1246882"	248.981485	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Br"	78.918885
"1309331"	251.037472	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Cl+HCOOH"	80.974872
"1329015"	273.019429	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Cl+NaCOOH"	102.956829
"921168"	283.048186	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M-H+CF3COOH"	112.985586
"1302250"	319.024864	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Cl+CF3COOH"	148.962264
"1374944"	135.049924	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H-2H2O"	-35.012676
"1390254"	153.0599	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H-H2O"	-17.0027
"294315"	341.132476	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+H"	1.007276
"685641"	511.195076	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+H"	1.007276
"1352026"	171.069876	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H"	1.007276
"130507"	171.069876	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+2H"	2.014552
"573351"	256.101176	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+2H"	2.014552
"1041423"	86.038576	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2H"	2.014552
"212240"	114.382342666667	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+3H"	3.021828
"646697"	171.069876	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+3H"	3.021828
"1164210"	57.6948093333333	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+3H"	3.021828
"425175"	358.159023	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+NH4"	18.033823
"795288"	528.221623	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+NH4"	18.033823
"1686517"	188.096423	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+NH4"	18.033823
"334430"	179.5831495	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+H+NH4"	19.041099
"727947"	264.6144495	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+H+NH4"	19.041099
"1482861"	94.5518495	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H+NH4"	19.041099
"399362"	363.114418	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+Na"	22.989218
"757073"	533.177018	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+Na"	22.989218
"1606630"	193.051818	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Na"	22.989218
"316306"	182.060847	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+H+Na"	23.996494
"709449"	267.092147	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+H+Na"	23.996494
"1472386"	97.029547	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H+Na"	23.996494
"1056882"	65.0221233333333	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2H+Na"	25.00377
"1262933"	203.096086	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+CH3OH+H"	33.033486
"377411"	379.088358	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+K"	38.963158
"738540"	549.150958	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+K"	38.963158
"1542006"	209.025758	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+K"	38.963158
"300641"	190.047817	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+H+K"	39.970434
"694156"	275.079117	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+H+K"	39.970434
"1450165"	105.016517	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H+K"	39.970434
"237676"	382.159026	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+ACN+H"	42.033826
"1211476"	212.096426	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+ACN+H"	42.033826
"1194229"	106.551851	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+ACN+2H"	43.041102
"188788"	385.09636	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+2Na-H"	44.97116
"629737"	555.15896	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+2Na-H"	44.97116
"1134217"	215.03376	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2Na-H"	44.97116
"174470"	193.051818	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+2Na"	45.978436
"613785"	278.083118	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+2Na"	45.978436
"1117051"	108.020518	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2Na"	45.978436
"1400820"	72.3494373333333	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H+2Na"	46.985712
"1432937"	217.075346	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H+HCOOH"	47.012746
"226279"	198.08484	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+3H2O+2H"	56.04448
"1515437"	231.12739	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+IsoProp+H"	61.06479
"414030"	201.038788	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+Na+K"	61.952376
"773930"	286.070088	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+Na+K"	61.952376
"1668074"	116.007488	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Na+K"	61.952376
"253504"	404.140968	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+ACN+Na"	64.015768
"1227672"	234.078368	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+ACN+Na"	64.015768
"1715831"	234.101893	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+NH4+HCOOH"	64.039293
"1184832"	79.6767513333333	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+3Na"	68.967654
"1651443"	239.057288	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Na+HCOOH"	68.994688
"167053"	417.04424	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+2K-H"	76.91904
"606249"	587.10684	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+2K-H"	76.91904
"1090035"	246.98164	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2K-H"	76.91904
"153413"	209.025758	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"2M+2K"	77.926316
"591516"	294.057058	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"3M+2K"	77.926316
"1077124"	123.994458	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2K"	77.926316
"1108146"	248.996192	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2K+H"	78.933592
"1343802"	249.083807	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+DMSO+H"	79.021207
"1018165"	253.122976	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2ACN+H"	83.060376
"1531552"	254.116608	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+IsoProp+Na+H"	84.054008
"994720"	127.065126	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+2ACN+2H"	84.067652
"1596877"	255.031228	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+K+HCOOH"	84.968628
"1420352"	285.062738	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+H+CF3COOH"	115.000138
"1158294"	147.578401	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+3ACN+2H"	125.094202
"1704563"	302.089285	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+NH4+CF3COOH"	132.026685
"1648603"	307.04468	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+Na+CF3COOH"	136.98208
"1586804"	323.01862	"C17931"	"Imetit"	"C6H10N4S"	"170.0626"	"M+K+CF3COOH"	152.95602
"812796"	165.1266	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M"	0
"989747"	146.10821	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-H2O-H"	-19.01839
"78399"	109.077124	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M-3H"	-3.021828
"518024"	164.119324	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M-3H"	-3.021828
"888657"	54.034924	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-3H"	-3.021828
"13793"	164.119324	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M-2H"	-2.014552
"450073"	246.682624	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M-2H"	-2.014552
"832135"	81.556024	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-2H"	-2.014552
"90055"	329.245924	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M-H"	-1.007276
"532532"	494.372524	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M-H"	-1.007276
"908877"	164.119324	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-H"	-1.007276
"56325"	346.272471	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M-2H+NH4"	16.019271
"493697"	511.399071	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M-2H+NH4"	16.019271
"874780"	181.145871	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-2H+NH4"	16.019271
"40494"	351.227866	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M-2H+Na"	20.974666
"481148"	516.354466	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M-2H+Na"	20.974666
"855668"	186.101266	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-2H+Na"	20.974666
"1626295"	186.101266	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Na-2H"	20.974666
"100636"	182.107663	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M-H+Cl"	33.962126
"540199"	264.670963	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M-H+Cl"	33.962126
"936996"	99.544363	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-H+Cl"	33.962126
"279563"	365.222602	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+Cl"	34.969402
"668339"	530.349202	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+Cl"	34.969402
"1282200"	200.096002	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Cl"	34.969402
"30725"	367.201806	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M-2H+K"	36.948606
"470406"	532.328406	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M-2H+K"	36.948606
"846870"	202.075206	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-2H+K"	36.948606
"1569260"	202.075206	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+K-2H"	36.948606
"954955"	210.124794	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-H+HCOOH"	44.998194
"375360"	375.251401	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+HCOOH-H"	44.998201
"359975"	389.267051	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+Hac-H"	59.013851
"1506617"	224.140451	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Hac-H"	59.013851
"972332"	232.106751	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-H+NaCOOH"	66.980151
"121238"	200.096002	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+2Cl"	69.938804
"562622"	282.659302	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+2Cl"	69.938804
"1032515"	117.532702	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2Cl"	69.938804
"1249179"	244.045485	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Br"	78.918885
"1310898"	246.101472	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Cl+HCOOH"	80.974872
"1326207"	268.083429	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Cl+NaCOOH"	102.956829
"921278"	278.112186	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M-H+CF3COOH"	112.985586
"1301267"	314.088864	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Cl+CF3COOH"	148.962264
"1378334"	130.113924	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H-2H2O"	-35.012676
"1391457"	148.1239	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H-H2O"	-17.0027
"297341"	331.260476	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+H"	1.007276
"683564"	496.387076	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+H"	1.007276
"1354445"	166.133876	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H"	1.007276
"129524"	166.133876	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+2H"	2.014552
"572368"	248.697176	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+2H"	2.014552
"1044450"	83.570576	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2H"	2.014552
"211257"	111.091676	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+3H"	3.021828
"647537"	166.133876	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+3H"	3.021828
"1162781"	56.049476	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+3H"	3.021828
"425164"	348.287023	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+NH4"	18.033823
"797585"	513.413623	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+NH4"	18.033823
"1688451"	183.160423	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+NH4"	18.033823
"340011"	174.6471495	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+H+NH4"	19.041099
"731338"	257.2104495	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+H+NH4"	19.041099
"1484064"	92.0838495	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H+NH4"	19.041099
"395458"	353.242418	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+Na"	22.989218
"759370"	518.369018	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+Na"	22.989218
"1611842"	188.115818	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Na"	22.989218
"319693"	177.124847	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+H+Na"	23.996494
"711385"	259.688147	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+H+Na"	23.996494
"1476265"	94.561547	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H+Na"	23.996494
"1060275"	63.37679	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2H+Na"	25.00377
"1264140"	198.160086	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+CH3OH+H"	33.033486
"378341"	369.216358	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+K"	38.963158
"739333"	534.342958	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+K"	38.963158
"1542481"	204.089758	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+K"	38.963158
"301846"	185.111817	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+H+K"	39.970434
"693172"	267.675117	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+H+K"	39.970434
"1450280"	102.548517	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H+K"	39.970434
"242164"	372.287026	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+ACN+H"	42.033826
"1213778"	207.160426	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+ACN+H"	42.033826
"1194658"	104.083851	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+ACN+2H"	43.041102
"188946"	375.22436	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+2Na-H"	44.97116
"632644"	540.35096	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+2Na-H"	44.97116
"1134328"	210.09776	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2Na-H"	44.97116
"177618"	188.115818	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+2Na"	45.978436
"615356"	270.679118	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+2Na"	45.978436
"1116183"	105.552518	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2Na"	45.978436
"1398858"	70.704104	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H+2Na"	46.985712
"1430369"	212.139346	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H+HCOOH"	47.012746
"228212"	193.14884	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+3H2O+2H"	56.04448
"1510804"	226.19139	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+IsoProp+H"	61.06479
"415233"	196.102788	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+Na+K"	61.952376
"771856"	278.666088	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+Na+K"	61.952376
"1670739"	113.539488	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Na+K"	61.952376
"255073"	394.268968	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+ACN+Na"	64.015768
"1231428"	229.142368	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+ACN+Na"	64.015768
"1721408"	229.165893	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+NH4+HCOOH"	64.039293
"1183483"	78.031418	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+3Na"	68.967654
"1656655"	234.121288	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Na+HCOOH"	68.994688
"163152"	407.17224	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+2K-H"	76.91904
"605267"	572.29884	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+2K-H"	76.91904
"1087956"	242.04564	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2K-H"	76.91904
"148054"	204.089758	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"2M+2K"	77.926316
"590894"	286.653058	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"3M+2K"	77.926316
"1083069"	121.526458	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2K"	77.926316
"1114213"	244.060192	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2K+H"	78.933592
"1348288"	244.147807	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+DMSO+H"	79.021207
"1020344"	248.186976	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2ACN+H"	83.060376
"1531665"	249.180608	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+IsoProp+Na+H"	84.054008
"998111"	124.597126	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+2ACN+2H"	84.067652
"1592614"	250.095228	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+K+HCOOH"	84.968628
"1424836"	280.126738	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+H+CF3COOH"	115.000138
"1157310"	145.110401	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+3ACN+2H"	125.094202
"1704674"	297.153285	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+NH4+CF3COOH"	132.026685
"1648713"	302.10868	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+Na+CF3COOH"	136.98208
"1586914"	318.08262	"C17932"	"Immepip"	"C9H15N3"	"165.1266"	"M+K+CF3COOH"	152.95602
"812906"	292.1722	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M"	0
"988268"	273.15381	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-H2O-H"	-19.01839
"75779"	193.774190666667	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M-3H"	-3.021828
"517527"	291.164924	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M-3H"	-3.021828
"888767"	96.3834573333333	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-3H"	-3.021828
"10623"	291.164924	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M-2H"	-2.014552
"453464"	437.251024	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M-2H"	-2.014552
"824702"	145.078824	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-2H"	-2.014552
"89072"	583.337124	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M-H"	-1.007276
"531549"	875.509324	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M-H"	-1.007276
"902060"	291.164924	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-H"	-1.007276
"48899"	600.363671	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M-2H+NH4"	16.019271
"491620"	892.535871	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M-2H+NH4"	16.019271
"868328"	308.191471	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-2H+NH4"	16.019271
"41697"	605.319066	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M-2H+Na"	20.974666
"481258"	897.491266	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M-2H+Na"	20.974666
"856872"	313.146866	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-2H+Na"	20.974666
"1625312"	313.146866	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Na-2H"	20.974666
"98560"	309.153263	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M-H+Cl"	33.962126
"539216"	455.239363	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M-H+Cl"	33.962126
"936012"	163.067163	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-H+Cl"	33.962126
"276757"	619.313802	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+Cl"	34.969402
"668813"	911.486002	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+Cl"	34.969402
"1282310"	327.141602	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Cl"	34.969402
"29614"	621.293006	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M-2H+K"	36.948606
"468084"	913.465206	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M-2H+K"	36.948606
"843695"	329.120806	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-2H+K"	36.948606
"1568277"	329.120806	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+K-2H"	36.948606
"953972"	337.170394	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-H+HCOOH"	44.998194
"371092"	629.342601	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+HCOOH-H"	44.998201
"358623"	643.358251	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+Hac-H"	59.013851
"1504901"	351.186051	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Hac-H"	59.013851
"969890"	359.152351	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-H+NaCOOH"	66.980151
"122441"	327.141602	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+2Cl"	69.938804
"560545"	473.227702	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+2Cl"	69.938804
"1030801"	181.055502	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2Cl"	69.938804
"1244915"	371.091085	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Br"	78.918885
"1312831"	373.147072	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Cl+HCOOH"	80.974872
"1323038"	395.129029	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Cl+NaCOOH"	102.956829
"921388"	405.157786	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M-H+CF3COOH"	112.985586
"1299190"	441.134464	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Cl+CF3COOH"	148.962264
"1375164"	257.159524	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H-2H2O"	-35.012676
"1391567"	275.1695	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H-H2O"	-17.0027
"294536"	585.351676	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+H"	1.007276
"681487"	877.523876	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+H"	1.007276
"1353462"	293.179476	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H"	1.007276
"127448"	293.179476	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+2H"	2.014552
"572477"	439.265576	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+2H"	2.014552
"1043465"	147.093376	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2H"	2.014552
"211367"	195.788742666667	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+3H"	3.021828
"648011"	293.179476	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+3H"	3.021828
"1162970"	98.3980093333333	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+3H"	3.021828
"425762"	602.378223	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+NH4"	18.033823
"794415"	894.550423	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+NH4"	18.033823
"1685281"	310.206023	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+NH4"	18.033823
"341213"	301.6927495	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+H+NH4"	19.041099
"731448"	447.7788495	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+H+NH4"	19.041099
"1483081"	155.6066495	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H+NH4"	19.041099
"395568"	607.333618	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+Na"	22.989218
"758386"	899.505818	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+Na"	22.989218
"1613045"	315.161418	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Na"	22.989218
"321990"	304.170447	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+H+Na"	23.996494
"710402"	450.256547	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+H+Na"	23.996494
"1475887"	158.084347	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H+Na"	23.996494
"1059290"	105.725323333333	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2H+Na"	25.00377
"1268624"	325.205686	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+CH3OH+H"	33.033486
"380638"	623.307558	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+K"	38.963158
"739686"	915.479758	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+K"	38.963158
"1543686"	331.135358	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+K"	38.963158
"303050"	312.157417	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+H+K"	39.970434
"695469"	458.243517	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+H+K"	39.970434
"1449297"	166.071317	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H+K"	39.970434
"243367"	626.378226	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+ACN+H"	42.033826
"1212795"	334.206026	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+ACN+H"	42.033826
"1195339"	167.606651	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+ACN+2H"	43.041102
"189541"	629.31556	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+2Na-H"	44.97116
"632754"	921.48776	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+2Na-H"	44.97116
"1134438"	337.14336	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2Na-H"	44.97116
"178822"	315.161418	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+2Na"	45.978436
"618017"	461.247518	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+2Na"	45.978436
"1117878"	169.075318	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2Na"	45.978436
"1400672"	113.052637333333	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H+2Na"	46.985712
"1431453"	339.184946	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H+HCOOH"	47.012746
"225404"	320.19444	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+3H2O+2H"	56.04448
"1512007"	353.23699	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+IsoProp+H"	61.06479
"415343"	323.148388	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+Na+K"	61.952376
"773791"	469.234488	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+Na+K"	61.952376
"1667568"	177.062288	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Na+K"	61.952376
"254089"	648.360168	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+ACN+Na"	64.015768
"1226799"	356.187968	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+ACN+Na"	64.015768
"1714957"	356.211493	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+NH4+HCOOH"	64.039293
"1178617"	120.379951333333	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+3Na"	68.967654
"1650325"	361.166888	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Na+HCOOH"	68.994688
"162898"	661.26344	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+2K-H"	76.91904
"605740"	953.43564	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+2K-H"	76.91904
"1093532"	369.09124	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2K-H"	76.91904
"145245"	331.135358	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"2M+2K"	77.926316
"583713"	477.221458	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"3M+2K"	77.926316
"1076613"	185.049258	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2K"	77.926316
"1110188"	371.105792	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2K+H"	78.933592
"1344023"	371.193407	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+DMSO+H"	79.021207
"1014742"	375.232576	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2ACN+H"	83.060376
"1529586"	376.226208	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+IsoProp+Na+H"	84.054008
"1000407"	188.119926	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+2ACN+2H"	84.067652
"1598190"	377.140828	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+K+HCOOH"	84.968628
"1418384"	407.172338	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+H+CF3COOH"	115.000138
"1151953"	208.633201	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+3ACN+2H"	125.094202
"1701504"	424.198885	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+NH4+CF3COOH"	132.026685
"1648092"	429.15428	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+Na+CF3COOH"	136.98208
"1580462"	445.12822	"C17933"	"Thioperamide"	"C15H24N4S"	"292.1722"	"M+K+CF3COOH"	152.95602
"813016"	308.0862	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M"	0
"987648"	289.06781	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-H2O-H"	-19.01839
"73702"	204.383524	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M-3H"	-3.021828
"516179"	307.078924	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M-3H"	-3.021828
"888877"	101.688124	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-3H"	-3.021828
"10733"	307.078924	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M-2H"	-2.014552
"453573"	461.122024	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M-2H"	-2.014552
"824812"	153.035824	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-2H"	-2.014552
"89182"	615.165124	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M-H"	-1.007276
"531659"	923.251324	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M-H"	-1.007276
"902170"	307.078924	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-H"	-1.007276
"49982"	632.191671	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M-2H+NH4"	16.019271
"492823"	940.277871	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M-2H+NH4"	16.019271
"868438"	324.105471	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-2H+NH4"	16.019271
"41807"	637.147066	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M-2H+Na"	20.974666
"481004"	945.233266	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M-2H+Na"	20.974666
"854795"	329.060866	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-2H+Na"	20.974666
"1624329"	329.060866	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Na-2H"	20.974666
"97577"	325.067263	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M-H+Cl"	33.962126
"541512"	479.110363	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M-H+Cl"	33.962126
"935029"	171.024163	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-H+Cl"	33.962126
"277596"	651.141802	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+Cl"	34.969402
"668194"	959.228002	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+Cl"	34.969402
"1283513"	343.055602	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Cl"	34.969402
"29724"	653.121006	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M-2H+K"	36.948606
"468923"	961.207206	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M-2H+K"	36.948606
"844898"	345.034806	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-2H+K"	36.948606
"1569116"	345.034806	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+K-2H"	36.948606
"955175"	353.084394	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-H+HCOOH"	44.998194
"373390"	661.170601	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+HCOOH-H"	44.998201
"359097"	675.186251	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+Hac-H"	59.013851
"1506107"	367.100051	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Hac-H"	59.013851
"971094"	375.066351	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-H+NaCOOH"	66.980151
"118177"	343.055602	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+2Cl"	69.938804
"562478"	497.098702	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+2Cl"	69.938804
"1030910"	189.012502	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2Cl"	69.938804
"1246117"	387.005085	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Br"	78.918885
"1312941"	389.061072	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Cl+HCOOH"	80.974872
"1324970"	411.043029	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Cl+NaCOOH"	102.956829
"921498"	421.071786	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M-H+CF3COOH"	112.985586
"1299300"	457.048464	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Cl+CF3COOH"	148.962264
"1375274"	273.073524	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H-2H2O"	-35.012676
"1391677"	291.0835	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H-H2O"	-17.0027
"292458"	617.179676	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+H"	1.007276
"685972"	925.265876	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+H"	1.007276
"1357943"	309.093476	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H"	1.007276
"127558"	309.093476	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+2H"	2.014552
"572587"	463.136576	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+2H"	2.014552
"1043575"	155.050376	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2H"	2.014552
"212570"	206.398076	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+3H"	3.021828
"648850"	309.093476	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+3H"	3.021828
"1163203"	103.702676	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+3H"	3.021828
"425872"	634.206223	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+NH4"	18.033823
"793432"	942.292423	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+NH4"	18.033823
"1681945"	326.120023	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+NH4"	18.033823
"335126"	317.6067495	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+H+NH4"	19.041099
"728641"	471.6498495	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+H+NH4"	19.041099
"1482462"	163.5636495	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H+NH4"	19.041099
"397499"	639.161618	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+Na"	22.989218
"758496"	947.247818	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+Na"	22.989218
"1610968"	331.075418	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Na"	22.989218
"323193"	320.084447	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+H+Na"	23.996494
"710149"	474.127547	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+H+Na"	23.996494
"1475636"	166.041347	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H+Na"	23.996494
"1058306"	111.02999	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2H+Na"	25.00377
"1265454"	341.119686	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+CH3OH+H"	33.033486
"378197"	655.135558	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+K"	38.963158
"739675"	963.221758	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+K"	38.963158
"1543796"	347.049358	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+K"	38.963158
"302067"	328.071417	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+H+K"	39.970434
"695579"	482.114517	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+H+K"	39.970434
"1449407"	174.028317	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H+K"	39.970434
"241290"	658.206226	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+ACN+H"	42.033826
"1212905"	350.120026	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+ACN+H"	42.033826
"1195084"	175.563651	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+ACN+2H"	43.041102
"189169"	661.14356	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+2Na-H"	44.97116
"632864"	969.22976	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+2Na-H"	44.97116
"1134914"	353.05736	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2Na-H"	44.97116
"179298"	331.075418	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+2Na"	45.978436
"617764"	485.118518	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+2Na"	45.978436
"1118716"	177.032318	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2Na"	45.978436
"1400903"	118.357304	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H+2Na"	46.985712
"1431926"	355.098946	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H+HCOOH"	47.012746
"224421"	336.10844	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+3H2O+2H"	56.04448
"1510297"	369.15099	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+IsoProp+H"	61.06479
"416546"	339.062388	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+Na+K"	61.952376
"773168"	493.105488	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+Na+K"	61.952376
"1668772"	185.019288	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Na+K"	61.952376
"256386"	680.188168	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+ACN+Na"	64.015768
"1229460"	372.101968	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+ACN+Na"	64.015768
"1715795"	372.125493	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+NH4+HCOOH"	64.039293
"1181150"	125.684618	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+3Na"	68.967654
"1652501"	377.080888	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Na+HCOOH"	68.994688
"163371"	693.09144	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+2K-H"	76.91904
"605849"	1001.17764	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+2K-H"	76.91904
"1092549"	385.00524	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2K-H"	76.91904
"148271"	347.049358	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"2M+2K"	77.926316
"582606"	501.092458	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"3M+2K"	77.926316
"1074533"	193.006258	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2K"	77.926316
"1112121"	387.019792	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2K+H"	78.933592
"1345956"	387.107407	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+DMSO+H"	79.021207
"1009385"	391.146576	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2ACN+H"	83.060376
"1528603"	392.140208	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+IsoProp+Na+H"	84.054008
"1000153"	196.076926	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+2ACN+2H"	84.067652
"1598300"	393.054828	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+K+HCOOH"	84.968628
"1418494"	423.086338	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+H+CF3COOH"	115.000138
"1152063"	216.590201	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+3ACN+2H"	125.094202
"1701614"	440.112885	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+NH4+CF3COOH"	132.026685
"1648202"	445.06828	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+Na+CF3COOH"	136.98208
"1580572"	461.04222	"C17934"	"Clobenpropit"	"C14H17ClN4S"	"308.0862"	"M+K+CF3COOH"	152.95602
"814220"	316.0729	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M"	0
"989738"	297.05451	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-H2O-H"	-19.01839
"78109"	209.707990666667	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M-3H"	-3.021828
"518283"	315.065624	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M-3H"	-3.021828
"894091"	104.350357333333	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-3H"	-3.021828
"14123"	315.065624	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M-2H"	-2.014552
"454048"	473.102074	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M-2H"	-2.014552
"828932"	157.029174	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-2H"	-2.014552
"92208"	631.138524	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M-H"	-1.007276
"532498"	947.211424	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M-H"	-1.007276
"905196"	315.065624	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-H"	-1.007276
"50091"	648.165071	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M-2H+NH4"	16.019271
"492933"	964.237971	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M-2H+NH4"	16.019271
"867454"	332.092171	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-2H+NH4"	16.019271
"34262"	653.120466	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M-2H+Na"	20.974666
"477103"	969.193366	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M-2H+Na"	20.974666
"857091"	337.047566	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-2H+Na"	20.974666
"1621157"	337.047566	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Na-2H"	20.974666
"96592"	333.053963	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M-H+Cl"	33.962126
"540529"	491.090413	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M-H+Cl"	33.962126
"934046"	175.017513	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-H+Cl"	33.962126
"277706"	667.115202	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+Cl"	34.969402
"669033"	983.188102	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+Cl"	34.969402
"1279614"	351.042302	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Cl"	34.969402
"27642"	669.094406	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M-2H+K"	36.948606
"470491"	985.167306	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M-2H+K"	36.948606
"845009"	353.021506	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-2H+K"	36.948606
"1569589"	353.021506	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+K-2H"	36.948606
"956379"	361.071094	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-H+HCOOH"	44.998194
"375686"	677.144001	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+HCOOH-H"	44.998201
"357385"	691.159651	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+Hac-H"	59.013851
"1506214"	375.086751	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Hac-H"	59.013851
"969381"	383.053051	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-H+NaCOOH"	66.980151
"119381"	351.042302	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+2Cl"	69.938804
"557849"	509.078752	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+2Cl"	69.938804
"1026648"	193.005852	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2Cl"	69.938804
"1244042"	394.991785	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Br"	78.918885
"1313051"	397.047772	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Cl+HCOOH"	80.974872
"1322528"	419.029729	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Cl+NaCOOH"	102.956829
"913953"	429.058486	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M-H+CF3COOH"	112.985586
"1293942"	465.035164	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Cl+CF3COOH"	148.962264
"1375384"	281.060224	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H-2H2O"	-35.012676
"1391787"	299.0702	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H-H2O"	-17.0027
"289288"	633.153076	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+H"	1.007276
"684989"	949.225976	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+H"	1.007276
"1353681"	317.080176	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H"	1.007276
"127662"	317.080176	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+2H"	2.014552
"571604"	475.116626	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+2H"	2.014552
"1041499"	159.043726	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2H"	2.014552
"212680"	211.722542666667	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+3H"	3.021828
"648231"	317.080176	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+3H"	3.021828
"1163114"	106.364909333333	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+3H"	3.021828
"425982"	650.179623	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+NH4"	18.033823
"791355"	966.252523	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+NH4"	18.033823
"1682218"	334.106723	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+NH4"	18.033823
"332320"	325.5934495	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+H+NH4"	19.041099
"726199"	483.6298995	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+H+NH4"	19.041099
"1482208"	167.5569995	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H+NH4"	19.041099
"395787"	655.135018	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+Na"	22.989218
"756783"	971.207918	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+Na"	22.989218
"1611077"	339.062118	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Na"	22.989218
"317835"	328.071147	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+H+Na"	23.996494
"710622"	486.107597	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+H+Na"	23.996494
"1468452"	170.034697	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H+Na"	23.996494
"1058417"	113.692223333333	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2H+Na"	25.00377
"1264470"	349.106386	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+CH3OH+H"	33.033486
"379764"	671.108958	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+K"	38.963158
"740028"	987.181858	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+K"	38.963158
"1540626"	355.036058	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+K"	38.963158
"299989"	336.058117	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+H+K"	39.970434
"692773"	494.094567	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+H+K"	39.970434
"1448423"	178.021667	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H+K"	39.970434
"243587"	674.179626	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+ACN+H"	42.033826
"1211921"	358.106726	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+ACN+H"	42.033826
"1196897"	179.557001	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+ACN+2H"	43.041102
"191223"	677.11696	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+2Na-H"	44.97116
"632609"	993.18986	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+2Na-H"	44.97116
"1137211"	361.04406	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2Na-H"	44.97116
"179408"	339.062118	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+2Na"	45.978436
"618601"	497.098568	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+2Na"	45.978436
"1120284"	181.025668	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2Na"	45.978436
"1399675"	121.019537333333	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H+2Na"	46.985712
"1432641"	363.085646	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H+HCOOH"	47.012746
"227810"	344.09514	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+3H2O+2H"	56.04448
"1514780"	377.13769	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+IsoProp+H"	61.06479
"416656"	347.049088	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+Na+K"	61.952376
"775465"	505.085538	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+Na+K"	61.952376
"1667789"	189.012638	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Na+K"	61.952376
"256496"	696.161568	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+ACN+Na"	64.015768
"1229570"	380.088668	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+ACN+Na"	64.015768
"1714447"	380.112193	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+NH4+HCOOH"	64.039293
"1179802"	128.346851333333	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+3Na"	68.967654
"1652611"	385.067588	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Na+HCOOH"	68.994688
"165304"	709.06484	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+2K-H"	76.91904
"605959"	1025.13774	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+2K-H"	76.91904
"1094846"	392.99194	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2K-H"	76.91904
"151662"	355.036058	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"2M+2K"	77.926316
"586847"	513.072508	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"3M+2K"	77.926316
"1074643"	196.999608	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2K"	77.926316
"1112231"	395.006492	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2K+H"	78.933592
"1347160"	395.094107	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+DMSO+H"	79.021207
"1009859"	399.133276	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2ACN+H"	83.060376
"1526161"	400.126908	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+IsoProp+Na+H"	84.054008
"1000627"	200.070276	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+2ACN+2H"	84.067652
"1597317"	401.041528	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+K+HCOOH"	84.968628
"1417511"	431.073038	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+H+CF3COOH"	115.000138
"1155453"	220.583551	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+3ACN+2H"	125.094202
"1705004"	448.099585	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+NH4+CF3COOH"	132.026685
"1648312"	453.05498	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+Na+CF3COOH"	136.98208
"1580682"	469.02892	"C17935"	"Cysteinyldopa;5-S-Cysteinyl-DOPA"	"C12H16N2O6S"	"316.0729"	"M+K+CF3COOH"	152.95602
"815063"	191.0219	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M"	0
"986772"	172.00351	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-H2O-H"	-19.01839
"67361"	126.340657333333	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M-3H"	-3.021828
"508014"	190.014624	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M-3H"	-3.021828
"885818"	62.6666906666667	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-3H"	-3.021828
"4392"	190.014624	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M-2H"	-2.014552
"447238"	285.525574	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M-2H"	-2.014552
"831843"	94.503674	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-2H"	-2.014552
"90498"	381.036524	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M-H"	-1.007276
"532610"	572.058424	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M-H"	-1.007276
"905672"	190.014624	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-H"	-1.007276
"56403"	398.063071	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M-2H+NH4"	16.019271
"498150"	589.084971	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M-2H+NH4"	16.019271
"869757"	207.041171	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-2H+NH4"	16.019271
"39844"	403.018466	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M-2H+Na"	20.974666
"476123"	594.040366	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M-2H+Na"	20.974666
"853927"	211.996566	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-2H+Na"	20.974666
"1624553"	211.996566	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Na-2H"	20.974666
"101081"	208.002963	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M-H+Cl"	33.962126
"540642"	303.513913	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M-H+Cl"	33.962126
"934157"	112.492013	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-H+Cl"	33.962126
"272713"	417.013202	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+Cl"	34.969402
"673527"	608.035102	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+Cl"	34.969402
"1285200"	225.991302	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Cl"	34.969402
"28852"	418.992406	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M-2H+K"	36.948606
"470236"	610.014306	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M-2H+K"	36.948606
"847309"	227.970506	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-2H+K"	36.948606
"1570070"	227.970506	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+K-2H"	36.948606
"955038"	236.020094	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-H+HCOOH"	44.998194
"372522"	427.042001	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+HCOOH-H"	44.998201
"358957"	441.057651	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+Hac-H"	59.013851
"1503050"	250.035751	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Hac-H"	59.013851
"971318"	258.002051	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-H+NaCOOH"	66.980151
"122780"	225.991302	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+2Cl"	69.938804
"561612"	321.502252	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+2Cl"	69.938804
"1028949"	130.480352	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2Cl"	69.938804
"1249623"	269.940785	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Br"	78.918885
"1318638"	271.996772	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Cl+HCOOH"	80.974872
"1335162"	293.978729	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Cl+NaCOOH"	102.956829
"925856"	304.007486	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M-H+CF3COOH"	112.985586
"1298429"	339.984164	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Cl+CF3COOH"	148.962264
"1372216"	156.009224	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H-2H2O"	-35.012676
"1386430"	174.0192	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H-H2O"	-17.0027
"283933"	383.051076	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+H"	1.007276
"686198"	574.072976	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+H"	1.007276
"1364735"	192.029176	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H"	1.007276
"137626"	192.029176	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+2H"	2.014552
"570624"	287.540126	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+2H"	2.014552
"1050728"	96.518226	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2H"	2.014552
"217169"	128.355209333333	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+3H"	3.021828
"654541"	192.029176	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+3H"	3.021828
"1174857"	64.6812426666667	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+3H"	3.021828
"432658"	400.077623	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+NH4"	18.033823
"790372"	591.099523	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+NH4"	18.033823
"1681718"	209.055723	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+NH4"	18.033823
"337171"	200.5424495	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+H+NH4"	19.041099
"730689"	296.0533995	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+H+NH4"	19.041099
"1479041"	105.0314995	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H+NH4"	19.041099
"395535"	405.033018	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+Na"	22.989218
"761999"	596.054918	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+Na"	22.989218
"1610093"	214.011118	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Na"	22.989218
"321226"	203.020147	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+H+Na"	23.996494
"718020"	298.531097	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+H+Na"	23.996494
"1468561"	107.509197	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H+Na"	23.996494
"1055610"	72.0085566666667	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2H+Na"	25.00377
"1260204"	224.055386	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+CH3OH+H"	33.033486
"380967"	421.006958	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+K"	38.963158
"740868"	612.028858	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+K"	38.963158
"1542921"	229.985058	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+K"	38.963158
"298797"	211.007117	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+H+K"	39.970434
"692030"	306.518067	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+H+K"	39.970434
"1446016"	115.496167	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H+K"	39.970434
"242605"	424.077626	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+ACN+H"	42.033826
"1217504"	233.055726	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+ACN+H"	42.033826
"1203572"	117.031501	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+ACN+2H"	43.041102
"193165"	427.01496	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+2Na-H"	44.97116
"629441"	618.03686	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+2Na-H"	44.97116
"1134403"	235.99306	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2Na-H"	44.97116
"176238"	214.011118	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+2Na"	45.978436
"615431"	309.522068	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+2Na"	45.978436
"1117112"	118.500168	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2Na"	45.978436
"1405018"	79.3358706666667	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H+2Na"	46.985712
"1433852"	238.034646	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H+HCOOH"	47.012746
"229018"	219.04414	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+3H2O+2H"	56.04448
"1511614"	252.08669	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+IsoProp+H"	61.06479
"410939"	221.998088	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+Na+K"	61.952376
"770593"	317.509038	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+Na+K"	61.952376
"1665791"	126.487138	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Na+K"	61.952376
"251564"	446.059568	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+ACN+Na"	64.015768
"1227855"	255.037668	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+ACN+Na"	64.015768
"1716742"	255.061193	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+NH4+HCOOH"	64.039293
"1180275"	86.6631846666667	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+3Na"	68.967654
"1654179"	260.016588	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Na+HCOOH"	68.994688
"158852"	458.96284	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+2K-H"	76.91904
"599143"	649.98474	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+2K-H"	76.91904
"1090581"	267.94094	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2K-H"	76.91904
"143146"	229.985058	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"2M+2K"	77.926316
"581500"	325.496008	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"3M+2K"	77.926316
"1073664"	134.474108	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2K"	77.926316
"1109061"	269.955492	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2K+H"	78.933592
"1346176"	270.043107	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+DMSO+H"	79.021207
"1015799"	274.082276	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2ACN+H"	83.060376
"1528822"	275.075908	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+IsoProp+Na+H"	84.054008
"991747"	137.544776	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+2ACN+2H"	84.067652
"1589410"	275.990528	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+K+HCOOH"	84.968628
"1416528"	306.022038	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+H+CF3COOH"	115.000138
"1148637"	158.058051	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+3ACN+2H"	125.094202
"1697822"	323.048585	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+NH4+CF3COOH"	132.026685
"1634403"	328.00398	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+Na+CF3COOH"	136.98208
"1572407"	343.97792	"C17938"	"56-Indolequinone-2-carboxylic acid"	"C9H5NO4"	"191.0219"	"M+K+CF3COOH"	152.95602
"815537"	364.1059	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M"	0
"987854"	345.08751	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-H2O-H"	-19.01839
"74029"	241.729990666667	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M-3H"	-3.021828
"508123"	363.098624	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M-3H"	-3.021828
"885928"	120.361357333333	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-3H"	-3.021828
"3772"	363.098624	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M-2H"	-2.014552
"450628"	545.151574	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M-2H"	-2.014552
"832445"	181.045674	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-2H"	-2.014552
"90608"	727.204524	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M-H"	-1.007276
"532357"	1091.310424	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M-H"	-1.007276
"902502"	363.098624	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-H"	-1.007276
"56877"	744.231071	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M-2H+NH4"	16.019271
"497531"	1108.336971	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M-2H+NH4"	16.019271
"873147"	380.125171	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-2H+NH4"	16.019271
"38860"	749.186466	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M-2H+Na"	20.974666
"478418"	1113.292366	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M-2H+Na"	20.974666
"856223"	385.080566	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-2H+Na"	20.974666
"1626848"	385.080566	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Na-2H"	20.974666
"103377"	381.086963	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M-H+Cl"	33.962126
"545124"	563.139913	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M-H+Cl"	33.962126
"936452"	199.034013	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-H+Cl"	33.962126
"276101"	763.181202	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+Cl"	34.969402
"674731"	1127.287102	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+Cl"	34.969402
"1286282"	399.075302	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Cl"	34.969402
"28962"	765.160406	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M-2H+K"	36.948606
"469251"	1129.266306	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M-2H+K"	36.948606
"848148"	401.054506	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-2H+K"	36.948606
"1569814"	401.054506	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+K-2H"	36.948606
"953325"	409.104094	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-H+HCOOH"	44.998194
"372633"	773.210001	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+HCOOH-H"	44.998201
"357609"	787.225651	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+Hac-H"	59.013851
"1503159"	423.119751	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Hac-H"	59.013851
"972885"	431.086051	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-H+NaCOOH"	66.980151
"122526"	399.075302	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+2Cl"	69.938804
"562086"	581.128252	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+2Cl"	69.938804
"1029059"	217.022352	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2Cl"	69.938804
"1251555"	443.024785	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Br"	78.918885
"1317654"	445.080772	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Cl+HCOOH"	80.974872
"1334785"	467.062729	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Cl+NaCOOH"	102.956829
"926330"	477.091486	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M-H+CF3COOH"	112.985586
"1298539"	513.068164	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Cl+CF3COOH"	148.962264
"1372326"	329.093224	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H-2H2O"	-35.012676
"1388726"	347.1032	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H-H2O"	-17.0027
"284768"	729.219076	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+H"	1.007276
"687401"	1093.324976	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+H"	1.007276
"1365938"	365.113176	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H"	1.007276
"137736"	365.113176	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+2H"	2.014552
"572920"	547.166126	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+2H"	2.014552
"1049380"	183.060226	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2H"	2.014552
"217281"	243.744542666667	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+3H"	3.021828
"656837"	365.113176	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+3H"	3.021828
"1176060"	122.375909333333	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+3H"	3.021828
"433862"	746.245623	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+NH4"	18.033823
"791576"	1110.351523	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+NH4"	18.033823
"1688998"	382.139723	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+NH4"	18.033823
"331809"	373.6264495	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+H+NH4"	19.041099
"726426"	555.6793995	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+H+NH4"	19.041099
"1484618"	191.5734995	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H+NH4"	19.041099
"396738"	751.201018	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+Na"	22.989218
"757734"	1115.306918	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+Na"	22.989218
"1611296"	387.095118	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Na"	22.989218
"321335"	376.104147	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+H+Na"	23.996494
"714850"	558.157097	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+H+Na"	23.996494
"1468672"	194.051197	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H+Na"	23.996494
"1053290"	129.703223333333	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2H+Na"	25.00377
"1258491"	397.139386	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+CH3OH+H"	33.033486
"381077"	767.174958	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+K"	38.963158
"740978"	1131.280858	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+K"	38.963158
"1544125"	403.069058	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+K"	38.963158
"300208"	384.091117	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+H+K"	39.970434
"692018"	566.144067	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+H+K"	39.970434
"1448637"	202.038167	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H+K"	39.970434
"241621"	770.245626	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+ACN+H"	42.033826
"1221622"	406.139726	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+ACN+H"	42.033826
"1201494"	203.573501	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+ACN+2H"	43.041102
"192181"	773.18296	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+2Na-H"	44.97116
"630643"	1137.28886	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+2Na-H"	44.97116
"1134877"	409.07706	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2Na-H"	44.97116
"176712"	387.095118	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+2Na"	45.978436
"615905"	569.148068	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+2Na"	45.978436
"1116250"	205.042168	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2Na"	45.978436
"1405128"	137.030537333333	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H+2Na"	46.985712
"1436148"	411.118646	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H+HCOOH"	47.012746
"230221"	392.12814	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+3H2O+2H"	56.04448
"1517191"	425.17069	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+IsoProp+H"	61.06479
"414690"	395.082088	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+Na+K"	61.952376
"771674"	577.135038	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+Na+K"	61.952376
"1667639"	213.029138	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Na+K"	61.952376
"253429"	792.227568	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+ACN+Na"	64.015768
"1226146"	428.121668	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+ACN+Na"	64.015768
"1713936"	428.145193	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+NH4+HCOOH"	64.039293
"1178638"	144.357851333333	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+3Na"	68.967654
"1652462"	433.100588	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Na+HCOOH"	68.994688
"158473"	805.13084	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+2K-H"	76.91904
"598640"	1169.23674	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+2K-H"	76.91904
"1084812"	441.02494	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2K-H"	76.91904
"141590"	403.069058	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"2M+2K"	77.926316
"588168"	585.122008	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"3M+2K"	77.926316
"1070613"	221.016108	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2K"	77.926316
"1102610"	443.039492	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2K+H"	78.933592
"1344099"	443.127107	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+DMSO+H"	79.021207
"1009713"	447.166276	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2ACN+H"	83.060376
"1526259"	448.159908	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+IsoProp+Na+H"	84.054008
"992829"	224.086776	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+2ACN+2H"	84.067652
"1587444"	449.074528	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+K+HCOOH"	84.968628
"1415544"	479.106038	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+H+CF3COOH"	115.000138
"1147651"	244.600051	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+3ACN+2H"	125.094202
"1697936"	496.132585	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+NH4+CF3COOH"	132.026685
"1634677"	501.08798	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+Na+CF3COOH"	136.98208
"1571313"	517.06192	"C17939"	"10-Hydroxycamptothecin"	"C20H16N2O5"	"364.1059"	"M+K+CF3COOH"	152.95602
"807990"	450.1992	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M"	0
"986992"	431.18081	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-H2O-H"	-19.01839
"73046"	299.125524	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M-3H"	-3.021828
"510421"	449.191924	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M-3H"	-3.021828
"887131"	149.059124	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-3H"	-3.021828
"2789"	449.191924	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M-2H"	-2.014552
"454505"	674.291524	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M-2H"	-2.014552
"832310"	224.092324	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-2H"	-2.014552
"90717"	899.391124	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M-H"	-1.007276
"531370"	1349.590324	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M-H"	-1.007276
"905892"	449.191924	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-H"	-1.007276
"58080"	916.417671	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M-2H+NH4"	16.019271
"498734"	1366.616871	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M-2H+NH4"	16.019271
"874347"	466.218471	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-2H+NH4"	16.019271
"41155"	921.373066	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M-2H+Na"	20.974666
"479621"	1371.572266	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M-2H+Na"	20.974666
"854146"	471.173866	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-2H+Na"	20.974666
"1625864"	471.173866	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Na-2H"	20.974666
"103486"	467.180263	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M-H+Cl"	33.962126
"545234"	692.279863	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M-H+Cl"	33.962126
"936562"	242.080663	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-H+Cl"	33.962126
"275118"	935.367802	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+Cl"	34.969402
"671924"	1385.567002	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+Cl"	34.969402
"1286512"	485.168602	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Cl"	34.969402
"27977"	937.347006	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M-2H+K"	36.948606
"469361"	1387.546206	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M-2H+K"	36.948606
"846435"	487.147806	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-2H+K"	36.948606
"1568831"	487.147806	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+K-2H"	36.948606
"953433"	495.197394	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-H+HCOOH"	44.998194
"373470"	945.396601	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+HCOOH-H"	44.998201
"358808"	959.412251	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+Hac-H"	59.013851
"1506184"	509.213051	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Hac-H"	59.013851
"971903"	517.179351	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-H+NaCOOH"	66.980151
"121904"	485.168602	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+2Cl"	69.938804
"560370"	710.268202	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+2Cl"	69.938804
"1025887"	260.069002	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2Cl"	69.938804
"1252029"	529.118085	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Br"	78.918885
"1318127"	531.174072	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Cl+HCOOH"	80.974872
"1334410"	553.156029	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Cl+NaCOOH"	102.956829
"925221"	563.184786	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M-H+CF3COOH"	112.985586
"1299742"	599.161464	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Cl+CF3COOH"	148.962264
"1371705"	415.186524	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H-2H2O"	-35.012676
"1387012"	433.1965	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H-H2O"	-17.0027
"286338"	901.405676	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+H"	1.007276
"687511"	1351.604876	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+H"	1.007276
"1364954"	451.206476	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H"	1.007276
"136753"	451.206476	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+2H"	2.014552
"573030"	676.306076	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+2H"	2.014552
"1047304"	226.106876	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2H"	2.014552
"213019"	301.140076	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+3H"	3.021828
"654761"	451.206476	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+3H"	3.021828
"1171799"	151.073676	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+3H"	3.021828
"430693"	918.432223	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+NH4"	18.033823
"791686"	1368.631423	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+NH4"	18.033823
"1684737"	468.233023	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+NH4"	18.033823
"331676"	459.7197495	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+H+NH4"	19.041099
"727628"	684.8193495	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+H+NH4"	19.041099
"1483634"	234.6201495	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H+NH4"	19.041099
"396115"	923.387618	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+Na"	22.989218
"757843"	1373.586818	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+Na"	22.989218
"1605944"	473.188418	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Na"	22.989218
"317072"	462.197447	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+H+Na"	23.996494
"713866"	687.297047	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+H+Na"	23.996494
"1465499"	237.097847	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H+Na"	23.996494
"1053642"	158.40099	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2H+Na"	25.00377
"1258600"	483.232686	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+CH3OH+H"	33.033486
"378755"	939.361558	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+K"	38.963158
"739262"	1389.560758	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+K"	38.963158
"1540949"	489.162358	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+K"	38.963158
"299102"	470.184417	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+H+K"	39.970434
"691762"	695.284017	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+H+K"	39.970434
"1447046"	245.084817	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H+K"	39.970434
"242824"	942.432226	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+ACN+H"	42.033826
"1221368"	492.233026	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+ACN+H"	42.033826
"1201604"	246.620151	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+ACN+2H"	43.041102
"192291"	945.36956	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+2Na-H"	44.97116
"632212"	1395.56876	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+2Na-H"	44.97116
"1135715"	495.17036	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2Na-H"	44.97116
"176822"	473.188418	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+2Na"	45.978436
"616744"	698.288018	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+2Na"	45.978436
"1116602"	248.088818	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2Na"	45.978436
"1405238"	165.728304	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H+2Na"	46.985712
"1435165"	497.211946	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H+HCOOH"	47.012746
"228145"	478.22144	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+3H2O+2H"	56.04448
"1518394"	511.26399	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+IsoProp+H"	61.06479
"414800"	481.175388	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+Na+K"	61.952376
"773607"	706.274988	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+Na+K"	61.952376
"1668847"	256.075788	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Na+K"	61.952376
"256463"	964.414168	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+ACN+Na"	64.015768
"1230630"	514.214968	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+ACN+Na"	64.015768
"1713925"	514.238493	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+NH4+HCOOH"	64.039293
"1179762"	173.055618	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+3Na"	68.967654
"1651845"	519.193888	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Na+HCOOH"	68.994688
"159799"	977.31744	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+2K-H"	76.91904
"598995"	1427.51664	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+2K-H"	76.91904
"1085330"	527.11824	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2K-H"	76.91904
"142269"	489.162358	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"2M+2K"	77.926316
"588279"	714.261958	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"3M+2K"	77.926316
"1073520"	264.062758	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2K"	77.926316
"1102720"	529.132792	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2K+H"	78.933592
"1344209"	529.220407	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+DMSO+H"	79.021207
"1010916"	533.259576	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2ACN+H"	83.060376
"1526005"	534.253208	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+IsoProp+Na+H"	84.054008
"993305"	267.133426	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+2ACN+2H"	84.067652
"1589266"	535.167828	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+K+HCOOH"	84.968628
"1414802"	565.199338	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+H+CF3COOH"	115.000138
"1149220"	287.646701	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+3ACN+2H"	125.094202
"1697682"	582.225885	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+NH4+CF3COOH"	132.026685
"1634341"	587.18128	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+Na+CF3COOH"	136.98208
"1572262"	603.15522	"C17940"	"Rhizocticin B"	"C16H31N6O7P"	"450.1992"	"M+K+CF3COOH"	152.95602
"808100"	181.998	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M"	0
"984915"	162.97961	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-H2O-H"	-19.01839
"76072"	120.324724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M-3H"	-3.021828
"512718"	180.990724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M-3H"	-3.021828
"886148"	59.658724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-3H"	-3.021828
"6910"	180.990724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M-2H"	-2.014552
"451939"	271.989724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M-2H"	-2.014552
"829743"	89.991724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-2H"	-2.014552
"90827"	362.988724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M-H"	-1.007276
"528200"	544.986724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M-H"	-1.007276
"906002"	180.990724	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-H"	-1.007276
"57097"	380.015271	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M-2H+NH4"	16.019271
"498845"	562.013271	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M-2H+NH4"	16.019271
"870086"	198.017271	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-2H+NH4"	16.019271
"39080"	384.970666	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M-2H+Na"	20.974666
"479732"	566.968666	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M-2H+Na"	20.974666
"856443"	202.972666	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-2H+Na"	20.974666
"1627069"	202.972666	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Na-2H"	20.974666
"103595"	198.979063	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M-H+Cl"	33.962126
"544251"	289.978063	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M-H+Cl"	33.962126
"933391"	107.980063	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-H+Cl"	33.962126
"274134"	398.965402	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+Cl"	34.969402
"674587"	580.963402	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+Cl"	34.969402
"1288244"	216.967402	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Cl"	34.969402
"29180"	400.944606	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M-2H+K"	36.948606
"467649"	582.942606	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M-2H+K"	36.948606
"844360"	218.946606	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-2H+K"	36.948606
"1570398"	218.946606	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+K-2H"	36.948606
"952450"	226.996194	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-H+HCOOH"	44.998194
"375038"	408.994201	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+HCOOH-H"	44.998201
"357825"	423.009851	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+Hac-H"	59.013851
"1501191"	241.011851	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Hac-H"	59.013851
"970918"	248.978151	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-H+NaCOOH"	66.980151
"122015"	216.967402	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+2Cl"	69.938804
"560480"	307.966402	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+2Cl"	69.938804
"1028184"	125.968402	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2Cl"	69.938804
"1249952"	260.916885	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Br"	78.918885
"1316778"	262.972872	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Cl+HCOOH"	80.974872
"1334518"	284.954829	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Cl+NaCOOH"	102.956829
"922051"	294.983586	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M-H+CF3COOH"	112.985586
"1293656"	330.960264	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Cl+CF3COOH"	148.962264
"1368897"	146.985324	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H-2H2O"	-35.012676
"1384568"	164.9953	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H-H2O"	-17.0027
"284263"	365.003276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+H"	1.007276
"679966"	547.001276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+H"	1.007276
"1357409"	183.005276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H"	1.007276
"135769"	183.005276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+2H"	2.014552
"572046"	274.004276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+2H"	2.014552
"1046322"	92.006276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2H"	2.014552
"214222"	122.339276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+3H"	3.021828
"654871"	183.005276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+3H"	3.021828
"1173002"	61.673276	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+3H"	3.021828
"430803"	382.029823	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+NH4"	18.033823
"791067"	564.027823	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+NH4"	18.033823
"1684482"	200.031823	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+NH4"	18.033823
"331299"	191.5185495	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+H+NH4"	19.041099
"723841"	282.5175495	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+H+NH4"	19.041099
"1480464"	100.5195495	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H+NH4"	19.041099
"395494"	386.985218	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+Na"	22.989218
"756859"	568.983218	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+Na"	22.989218
"1608240"	204.987218	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Na"	22.989218
"323744"	193.996247	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+H+Na"	23.996494
"712881"	284.995247	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+H+Na"	23.996494
"1466702"	102.997247	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H+Na"	23.996494
"1053749"	69.00059	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2H+Na"	25.00377
"1258710"	215.031486	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+CH3OH+H"	33.033486
"380203"	402.959158	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+K"	38.963158
"739010"	584.957158	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+K"	38.963158
"1541060"	220.961158	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+K"	38.963158
"298962"	201.983217	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+H+K"	39.970434
"691876"	292.982217	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+H+K"	39.970434
"1445940"	110.984217	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H+K"	39.970434
"241841"	406.029826	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+ACN+H"	42.033826
"1217831"	224.031826	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+ACN+H"	42.033826
"1197705"	112.519551	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+ACN+2H"	43.041102
"192401"	408.96716	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+2Na-H"	44.97116
"633052"	590.96516	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+2Na-H"	44.97116
"1137285"	226.96916	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2Na-H"	44.97116
"177660"	204.987218	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+2Na"	45.978436
"619407"	295.986218	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+2Na"	45.978436
"1122183"	113.988218	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2Na"	45.978436
"1400603"	76.327904	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H+2Na"	46.985712
"1432360"	229.010746	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H+HCOOH"	47.012746
"226431"	210.02024	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+3H2O+2H"	56.04448
"1516317"	243.06279	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+IsoProp+H"	61.06479
"416004"	212.974188	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+Na+K"	61.952376
"771894"	303.973188	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+Na+K"	61.952376
"1669320"	121.975188	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Na+K"	61.952376
"254382"	428.011768	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+ACN+Na"	64.015768
"1228186"	246.013768	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+ACN+Na"	64.015768
"1714276"	246.037293	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+NH4+HCOOH"	64.039293
"1179143"	83.655218	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+3Na"	68.967654
"1652683"	250.992688	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Na+HCOOH"	68.994688
"159664"	440.91504	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+2K-H"	76.91904
"603116"	622.91304	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+2K-H"	76.91904
"1087994"	258.91704	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2K-H"	76.91904
"145541"	220.961158	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"2M+2K"	77.926316
"583278"	311.960158	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"3M+2K"	77.926316
"1071807"	129.962158	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2K"	77.926316
"1102830"	260.931592	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2K+H"	78.933592
"1344683"	261.019207	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+DMSO+H"	79.021207
"1013213"	265.058376	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2ACN+H"	83.060376
"1526479"	266.052008	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+IsoProp+Na+H"	84.054008
"993415"	133.032826	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+2ACN+2H"	84.067652
"1589376"	266.966628	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+K+HCOOH"	84.968628
"1416128"	296.998138	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+H+CF3COOH"	115.000138
"1150423"	153.546101	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+3ACN+2H"	125.094202
"1697669"	314.024685	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+NH4+CF3COOH"	132.026685
"1637083"	318.98008	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+Na+CF3COOH"	136.98208
"1572736"	334.95402	"C17941"	"2-Oxo-4-phosphonobutanoate;2-Oxo-4-phosphonobutanoic acid"	"C4H7O6P"	"181.998"	"M+K+CF3COOH"	152.95602
"813678"	197.0453	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M"	0
"985025"	178.02691	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-H2O-H"	-19.01839
"77640"	130.356257333333	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M-3H"	-3.021828
"508456"	196.038024	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M-3H"	-3.021828
"891726"	64.6744906666667	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-3H"	-3.021828
"14311"	196.038024	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M-2H"	-2.014552
"454848"	294.560674	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M-2H"	-2.014552
"827667"	97.515374	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-2H"	-2.014552
"93005"	393.083324	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M-H"	-1.007276
"531471"	590.128624	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M-H"	-1.007276
"906112"	196.038024	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-H"	-1.007276
"58300"	410.109871	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M-2H+NH4"	16.019271
"495674"	607.155171	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M-2H+NH4"	16.019271
"875664"	213.064571	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-2H+NH4"	16.019271
"40284"	415.065266	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M-2H+Na"	20.974666
"485191"	612.110566	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M-2H+Na"	20.974666
"862752"	218.019966	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-2H+Na"	20.974666
"1628274"	218.019966	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Na-2H"	20.974666
"106990"	214.026363	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M-H+Cl"	33.962126
"542176"	312.549013	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M-H+Cl"	33.962126
"934596"	115.503713	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-H+Cl"	33.962126
"275338"	429.060002	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+Cl"	34.969402
"673966"	626.105302	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+Cl"	34.969402
"1286732"	232.014702	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Cl"	34.969402
"29287"	431.039206	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M-2H+K"	36.948606
"463380"	628.084506	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M-2H+K"	36.948606
"844470"	233.993906	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-2H+K"	36.948606
"1570142"	233.993906	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+K-2H"	36.948606
"953654"	242.043494	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-H+HCOOH"	44.998194
"374055"	439.088801	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+HCOOH-H"	44.998201
"359760"	453.104451	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+Hac-H"	59.013851
"1501301"	256.059151	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Hac-H"	59.013851
"971029"	264.025451	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-H+NaCOOH"	66.980151
"124312"	232.014702	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+2Cl"	69.938804
"561686"	330.537352	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+2Cl"	69.938804
"1032670"	133.492052	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2Cl"	69.938804
"1250062"	275.964185	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Br"	78.918885
"1315795"	278.020172	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Cl+HCOOH"	80.974872
"1334020"	300.002129	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Cl+NaCOOH"	102.956829
"922161"	310.030886	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M-H+CF3COOH"	112.985586
"1293766"	346.007564	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Cl+CF3COOH"	148.962264
"1369376"	162.032624	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H-2H2O"	-35.012676
"1383954"	180.0426	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H-H2O"	-17.0027
"287654"	395.097876	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+H"	1.007276
"686637"	592.143176	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+H"	1.007276
"1361894"	198.052576	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H"	1.007276
"135881"	198.052576	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+2H"	2.014552
"576534"	296.575226	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+2H"	2.014552
"1046431"	99.529926	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2H"	2.014552
"215425"	132.370809333333	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+3H"	3.021828
"657170"	198.052576	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+3H"	3.021828
"1174933"	66.6890426666667	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+3H"	3.021828
"429819"	412.124423	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+NH4"	18.033823
"790451"	609.169723	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+NH4"	18.033823
"1687145"	215.079123	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+NH4"	18.033823
"335789"	206.5658495	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+H+NH4"	19.041099
"724199"	305.0884995	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+H+NH4"	19.041099
"1480571"	108.0431995	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H+NH4"	19.041099
"394147"	417.079818	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+Na"	22.989218
"756599"	614.125118	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+Na"	22.989218
"1605067"	220.034518	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Na"	22.989218
"315105"	209.043547	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+H+Na"	23.996494
"712993"	307.566197	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+H+Na"	23.996494
"1467909"	110.520897	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H+Na"	23.996494
"1053619"	74.0163566666667	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2H+Na"	25.00377
"1258821"	230.078786	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+CH3OH+H"	33.033486
"377353"	433.053758	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+K"	38.963158
"739607"	630.099058	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+K"	38.963158
"1539981"	236.008458	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+K"	38.963158
"300540"	217.030517	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+H+K"	39.970434
"691495"	315.553167	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+H+K"	39.970434
"1447877"	118.507867	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H+K"	39.970434
"243044"	436.124426	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+ACN+H"	42.033826
"1217941"	239.079126	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+ACN+H"	42.033826
"1199638"	120.043201	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+ACN+2H"	43.041102
"196885"	439.06176	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+2Na-H"	44.97116
"631342"	636.10706	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+2Na-H"	44.97116
"1139948"	242.01646	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2Na-H"	44.97116
"177041"	220.034518	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+2Na"	45.978436
"623528"	318.557168	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+2Na"	45.978436
"1123023"	121.511868	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2Na"	45.978436
"1402173"	81.3436706666667	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H+2Na"	46.985712
"1433198"	244.058046	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H+HCOOH"	47.012746
"227271"	225.06754	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+3H2O+2H"	56.04448
"1517523"	258.11009	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+IsoProp+H"	61.06479
"412469"	228.021488	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+Na+K"	61.952376
"773827"	326.544138	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+Na+K"	61.952376
"1669796"	129.498838	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Na+K"	61.952376
"255588"	458.106368	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+ACN+Na"	64.015768
"1228294"	261.061068	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+ACN+Na"	64.015768
"1713899"	261.084593	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+NH4+HCOOH"	64.039293
"1179616"	88.6709846666667	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+3Na"	68.967654
"1653886"	266.039988	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Na+HCOOH"	68.994688
"161477"	471.00964	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+2K-H"	76.91904
"600307"	668.05494	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+2K-H"	76.91904
"1090289"	273.96434	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2K-H"	76.91904
"142976"	236.008458	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"2M+2K"	77.926316
"582293"	334.531108	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"3M+2K"	77.926316
"1070945"	137.485808	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2K"	77.926316
"1102941"	275.978892	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2K+H"	78.933592
"1345887"	276.066507	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+DMSO+H"	79.021207
"1015512"	280.105676	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2ACN+H"	83.060376
"1532544"	281.099308	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+IsoProp+Na+H"	84.054008
"990852"	140.556476	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+2ACN+2H"	84.067652
"1588513"	282.013928	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+K+HCOOH"	84.968628
"1418064"	312.045438	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+H+CF3COOH"	115.000138
"1148352"	161.069751	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+3ACN+2H"	125.094202
"1702277"	329.071985	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+NH4+CF3COOH"	132.026685
"1634763"	334.02738	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+Na+CF3COOH"	136.98208
"1572117"	350.00132	"C17942"	"FR 900098;(3-(Acetylhydroxyamino)propyl)phosphonic acid"	"C5H12NO5P"	"197.0453"	"M+K+CF3COOH"	152.95602
"808320"	109.9769	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M"	0
"985135"	90.95851	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-H2O-H"	-19.01839
"74470"	72.3106573333333	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M-3H"	-3.021828
"515122"	108.969624	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M-3H"	-3.021828
"895363"	35.6516906666667	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-3H"	-3.021828
"15150"	108.969624	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M-2H"	-2.014552
"455040"	163.958074	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M-2H"	-2.014552
"832360"	53.981174	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-2H"	-2.014552
"93364"	218.946524	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M-H"	-1.007276
"533365"	328.923424	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M-H"	-1.007276
"906222"	108.969624	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-H"	-1.007276
"58410"	235.973071	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M-2H+NH4"	16.019271
"496877"	345.949971	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M-2H+NH4"	16.019271
"875774"	125.996171	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-2H+NH4"	16.019271
"44404"	240.928466	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M-2H+Na"	20.974666
"485301"	350.905366	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M-2H+Na"	20.974666
"861037"	130.951566	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-2H+Na"	20.974666
"1630570"	130.951566	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Na-2H"	20.974666
"107468"	126.957963	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M-H+Cl"	33.962126
"542287"	181.946413	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M-H+Cl"	33.962126
"934707"	71.969513	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-H+Cl"	33.962126
"274355"	254.923202	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+Cl"	34.969402
"672252"	364.900102	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+Cl"	34.969402
"1279188"	144.946302	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Cl"	34.969402
"19557"	256.902406	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M-2H+K"	36.948606
"458751"	366.879306	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M-2H+K"	36.948606
"846039"	146.925506	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-2H+K"	36.948606
"1568065"	146.925506	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+K-2H"	36.948606
"957046"	154.975094	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-H+HCOOH"	44.998194
"370883"	264.952001	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+HCOOH-H"	44.998201
"359139"	278.967651	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+Hac-H"	59.013851
"1498131"	168.990751	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Hac-H"	59.013851
"967859"	176.957051	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-H+NaCOOH"	66.980151
"124058"	144.946302	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+2Cl"	69.938804
"563982"	199.934752	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+2Cl"	69.938804
"1032780"	89.957852	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2Cl"	69.938804
"1250172"	188.895785	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Br"	78.918885
"1318091"	190.951772	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Cl+HCOOH"	80.974872
"1334130"	212.933729	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Cl+NaCOOH"	102.956829
"922271"	222.962486	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M-H+CF3COOH"	112.985586
"1293512"	258.939164	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Cl+CF3COOH"	148.962264
"1369486"	74.964224	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H-2H2O"	-35.012676
"1385157"	92.9742	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H-H2O"	-17.0027
"285577"	220.961076	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+H"	1.007276
"686747"	330.937976	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+H"	1.007276
"1360911"	110.984176	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H"	1.007276
"137084"	110.984176	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+2H"	2.014552
"577737"	165.972626	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+2H"	2.014552
"1048726"	55.995726	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2H"	2.014552
"216992"	74.3252093333333	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+3H"	3.021828
"657281"	110.984176	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+3H"	3.021828
"1174314"	37.6662426666667	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+3H"	3.021828
"427378"	237.987623	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+NH4"	18.033823
"789467"	347.964523	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+NH4"	18.033823
"1687258"	128.010723	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+NH4"	18.033823
"341003"	119.4974495	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+H+NH4"	19.041099
"727959"	174.4858995	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+H+NH4"	19.041099
"1479593"	64.5089995	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H+NH4"	19.041099
"394626"	242.943018	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+Na"	22.989218
"755986"	352.919918	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+Na"	22.989218
"1603474"	132.966118	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Na"	22.989218
"319589"	121.975147	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+H+Na"	23.996494
"710916"	176.963597	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+H+Na"	23.996494
"1466924"	66.986697	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H+Na"	23.996494
"1053002"	44.9935566666667	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2H+Na"	25.00377
"1258569"	143.010386	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+CH3OH+H"	33.033486
"380424"	258.916958	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+K"	38.963158
"741419"	368.893858	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+K"	38.963158
"1540918"	148.940058	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+K"	38.963158
"301744"	129.962117	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+H+K"	39.970434
"694166"	184.950567	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+H+K"	39.970434
"1447991"	74.973667	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H+K"	39.970434
"243156"	261.987626	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+ACN+H"	42.033826
"1213679"	152.010726	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+ACN+H"	42.033826
"1199747"	76.509001	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+ACN+2H"	43.041102
"192621"	264.92496	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+2Na-H"	44.97116
"635461"	374.90186	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+2Na-H"	44.97116
"1135686"	154.94806	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2Na-H"	44.97116
"177151"	132.966118	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+2Na"	45.978436
"618534"	187.954568	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+2Na"	45.978436
"1120221"	77.977668	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2Na"	45.978436
"1407755"	52.3208706666667	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H+2Na"	46.985712
"1433673"	156.989646	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H+HCOOH"	47.012746
"228838"	137.99914	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+3H2O+2H"	56.04448
"1515809"	171.04169	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+IsoProp+H"	61.06479
"413672"	140.953088	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+Na+K"	61.952376
"777218"	195.941538	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+Na+K"	61.952376
"1670269"	85.964638	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Na+K"	61.952376
"253510"	283.969568	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+ACN+Na"	64.015768
"1229862"	173.992668	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+ACN+Na"	64.015768
"1713396"	174.016193	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+NH4+HCOOH"	64.039293
"1179729"	59.6481846666667	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+3Na"	68.967654
"1650716"	178.971588	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Na+HCOOH"	68.994688
"160493"	296.87284	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+2K-H"	76.91904
"601512"	406.84974	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+2K-H"	76.91904
"1087118"	186.89594	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2K-H"	76.91904
"142111"	148.940058	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"2M+2K"	77.926316
"582157"	203.928508	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"3M+2K"	77.926316
"1071298"	93.951608	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2K"	77.926316
"1109612"	188.910492	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2K+H"	78.933592
"1348915"	188.998107	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+DMSO+H"	79.021207
"1015621"	193.037276	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2ACN+H"	83.060376
"1534841"	194.030908	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+IsoProp+Na+H"	84.054008
"999104"	97.022276	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+2ACN+2H"	84.067652
"1589595"	194.945528	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+K+HCOOH"	84.968628
"1415013"	224.977038	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+H+CF3COOH"	115.000138
"1149554"	117.535551	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+3ACN+2H"	125.094202
"1702387"	242.003585	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+NH4+CF3COOH"	132.026685
"1638037"	246.95898	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+Na+CF3COOH"	136.98208
"1572593"	262.93292	"C17943"	"Formylphosphonate;Phosphonoformaldehyde;Formylphosphonic acid"	"CH3O4P"	"109.9769"	"M+K+CF3COOH"	152.95602
"808430"	351.1308	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M"	0
"985242"	332.11241	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-H2O-H"	-19.01839
"78228"	233.079924	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M-3H"	-3.021828
"515233"	350.123524	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M-3H"	-3.021828
"895313"	116.036324	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-3H"	-3.021828
"15019"	350.123524	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M-2H"	-2.014552
"454830"	525.688924	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M-2H"	-2.014552
"832144"	174.558124	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-2H"	-2.014552
"93835"	701.254324	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M-H"	-1.007276
"533518"	1052.385124	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M-H"	-1.007276
"910225"	350.123524	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-H"	-1.007276
"61317"	718.280871	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M-2H+NH4"	16.019271
"501240"	1069.411671	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M-2H+NH4"	16.019271
"878071"	367.150071	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-2H+NH4"	16.019271
"44881"	723.236266	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M-2H+Na"	20.974666
"485169"	1074.367066	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M-2H+Na"	20.974666
"862612"	372.105466	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-2H+Na"	20.974666
"1632506"	372.105466	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Na-2H"	20.974666
"105023"	368.111863	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M-H+Cl"	33.962126
"542397"	543.677263	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M-H+Cl"	33.962126
"940895"	192.546463	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-H+Cl"	33.962126
"272283"	737.231002	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+Cl"	34.969402
"673338"	1088.361802	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+Cl"	34.969402
"1285858"	386.100202	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Cl"	34.969402
"22947"	739.210206	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M-2H+K"	36.948606
"460320"	1090.341006	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M-2H+K"	36.948606
"839215"	388.079406	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-2H+K"	36.948606
"1561609"	388.079406	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+K-2H"	36.948606
"944388"	396.128994	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-H+HCOOH"	44.998194
"375005"	747.259801	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+HCOOH-H"	44.998201
"354875"	761.275451	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+Hac-H"	59.013851
"1501522"	410.144651	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Hac-H"	59.013851
"967969"	418.110951	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-H+NaCOOH"	66.980151
"123807"	386.100202	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+2Cl"	69.938804
"565233"	561.665602	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+2Cl"	69.938804
"1035079"	210.534802	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2Cl"	69.938804
"1254658"	430.049685	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Br"	78.918885
"1317109"	432.105672	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Cl+HCOOH"	80.974872
"1334483"	454.087629	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Cl+NaCOOH"	102.956829
"922381"	464.116386	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M-H+CF3COOH"	112.985586
"1299090"	500.093064	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Cl+CF3COOH"	148.962264
"1378344"	316.118124	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H-2H2O"	-35.012676
"1384904"	334.1281	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H-H2O"	-17.0027
"287874"	703.268876	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+H"	1.007276
"686857"	1054.399676	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+H"	1.007276
"1362114"	352.138076	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H"	1.007276
"133910"	352.138076	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+2H"	2.014552
"575657"	527.703476	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+2H"	2.014552
"1049929"	176.572676	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2H"	2.014552
"216740"	235.094476	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+3H"	3.021828
"658483"	352.138076	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+3H"	3.021828
"1177218"	118.050876	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+3H"	3.021828
"434416"	720.295423	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+NH4"	18.033823
"789213"	1071.426223	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+NH4"	18.033823
"1695023"	369.164623	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+NH4"	18.033823
"337833"	360.6513495	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+H+NH4"	19.041099
"729163"	536.2167495	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+H+NH4"	19.041099
"1485172"	185.0859495	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H+NH4"	19.041099
"400572"	725.250818	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+Na"	22.989218
"758283"	1076.381618	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+Na"	22.989218
"1607477"	374.120018	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Na"	22.989218
"317514"	363.129047	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+H+Na"	23.996494
"711028"	538.694447	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+H+Na"	23.996494
"1464849"	187.563647	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H+Na"	23.996494
"1054449"	125.37819	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2H+Na"	25.00377
"1259775"	384.164286	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+CH3OH+H"	33.033486
"381628"	741.224758	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+K"	38.963158
"743718"	1092.355558	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+K"	38.963158
"1543586"	390.093958	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+K"	38.963158
"304043"	371.116017	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+H+K"	39.970434
"698653"	546.681417	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+H+K"	39.970434
"1452475"	195.550617	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H+K"	39.970434
"242173"	744.295426	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+ACN+H"	42.033826
"1215975"	393.164626	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+ACN+H"	42.033826
"1203137"	197.085951	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+ACN+2H"	43.041102
"197103"	747.23276	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+2Na-H"	44.97116
"636663"	1098.36356	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+2Na-H"	44.97116
"1136889"	396.10196	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2Na-H"	44.97116
"180178"	374.120018	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+2Na"	45.978436
"619738"	549.685418	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+2Na"	45.978436
"1120331"	198.554618	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2Na"	45.978436
"1406772"	132.705504	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H+2Na"	46.985712
"1438887"	398.143546	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H+HCOOH"	47.012746
"228584"	379.15304	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+3H2O+2H"	56.04448
"1515555"	412.19559	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+IsoProp+H"	61.06479
"416334"	382.106988	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+Na+K"	61.952376
"774776"	557.672388	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+Na+K"	61.952376
"1669287"	206.541588	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Na+K"	61.952376
"253620"	766.277368	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+ACN+Na"	64.015768
"1227059"	415.146568	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+ACN+Na"	64.015768
"1713756"	415.170093	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+NH4+HCOOH"	64.039293
"1180570"	140.032818	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+3Na"	68.967654
"1653380"	420.125488	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Na+HCOOH"	68.994688
"160241"	779.18064	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+2K-H"	76.91904
"599072"	1130.31144	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+2K-H"	76.91904
"1088323"	428.04984	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2K-H"	76.91904
"142140"	390.093958	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"2M+2K"	77.926316
"583239"	565.659358	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"3M+2K"	77.926316
"1071044"	214.528558	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2K"	77.926316
"1109721"	430.064392	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2K+H"	78.933592
"1343920"	430.152007	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+DMSO+H"	79.021207
"1013543"	434.191176	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2ACN+H"	83.060376
"1526201"	435.184808	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+IsoProp+Na+H"	84.054008
"992652"	217.599226	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+2ACN+2H"	84.067652
"1591529"	436.099428	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+K+HCOOH"	84.968628
"1415001"	466.130938	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+H+CF3COOH"	115.000138
"1148572"	238.112501	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+3ACN+2H"	125.094202
"1702497"	483.157485	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+NH4+CF3COOH"	132.026685
"1635960"	488.11288	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+Na+CF3COOH"	136.98208
"1571974"	504.08682	"C17944"	"Rhizocticin A"	"C11H22N5O6P"	"351.1308"	"M+K+CF3COOH"	152.95602
"808540"	431.0131	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M"	0
"982072"	411.99471	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-H2O-H"	-19.01839
"73597"	286.334790666667	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M-3H"	-3.021828
"514250"	430.005824	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M-3H"	-3.021828
"895339"	142.663757333333	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-3H"	-3.021828
"14277"	430.005824	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M-2H"	-2.014552
"455180"	645.512374	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M-2H"	-2.014552
"832219"	214.499274	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-2H"	-2.014552
"93582"	861.018924	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M-H"	-1.007276
"533509"	1292.032024	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M-H"	-1.007276
"911069"	430.005824	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-H"	-1.007276
"61795"	878.045471	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M-2H+NH4"	16.019271
"501839"	1309.058571	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M-2H+NH4"	16.019271
"875991"	447.032371	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-2H+NH4"	16.019271
"44990"	883.000866	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M-2H+Na"	20.974666
"486007"	1314.013966	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M-2H+Na"	20.974666
"863084"	451.987766	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-2H+Na"	20.974666
"1632981"	451.987766	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Na-2H"	20.974666
"107321"	447.994163	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M-H+Cl"	33.962126
"542507"	663.500713	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M-H+Cl"	33.962126
"938210"	232.487613	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-H+Cl"	33.962126
"272393"	896.995602	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+Cl"	34.969402
"669193"	1328.008702	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+Cl"	34.969402
"1285968"	465.982502	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Cl"	34.969402
"23057"	898.974806	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M-2H+K"	36.948606
"460430"	1329.987906	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M-2H+K"	36.948606
"839325"	467.961706	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-2H+K"	36.948606
"1561720"	467.961706	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+K-2H"	36.948606
"945227"	476.011294	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-H+HCOOH"	44.998194
"368912"	907.024401	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+HCOOH-H"	44.998201
"346718"	921.040051	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+Hac-H"	59.013851
"1493481"	490.026951	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Hac-H"	59.013851
"969173"	497.993251	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-H+NaCOOH"	66.980151
"124281"	465.982502	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+2Cl"	69.938804
"565178"	681.489052	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+2Cl"	69.938804
"1035189"	250.475952	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2Cl"	69.938804
"1254768"	509.931985	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Br"	78.918885
"1317220"	511.987972	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Cl+HCOOH"	80.974872
"1331435"	533.969929	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Cl+NaCOOH"	102.956829
"923587"	543.998686	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M-H+CF3COOH"	112.985586
"1298107"	579.975364	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Cl+CF3COOH"	148.962264
"1372987"	396.000424	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H-2H2O"	-35.012676
"1383920"	414.0104	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H-H2O"	-17.0027
"287984"	863.033476	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+H"	1.007276
"684781"	1294.046576	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+H"	1.007276
"1360038"	432.020376	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H"	1.007276
"136209"	432.020376	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+2H"	2.014552
"574674"	647.526926	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+2H"	2.014552
"1048948"	216.513826	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2H"	2.014552
"218672"	288.349342666667	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+3H"	3.021828
"657500"	432.020376	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+3H"	3.021828
"1175627"	144.678309333333	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+3H"	3.021828
"434526"	880.060023	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+NH4"	18.033823
"796615"	1311.073123	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+NH4"	18.033823
"1692949"	449.046923	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+NH4"	18.033823
"342319"	440.5336495	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+H+NH4"	19.041099
"727086"	656.0401995	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+H+NH4"	19.041099
"1487468"	225.0270995	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H+NH4"	19.041099
"398495"	885.015418	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+Na"	22.989218
"760580"	1316.028518	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+Na"	22.989218
"1603697"	454.002318	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Na"	22.989218
"315070"	443.011347	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+H+Na"	23.996494
"711139"	658.517897	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+H+Na"	23.996494
"1464961"	227.504797	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H+Na"	23.996494
"1056020"	152.005623333333	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2H+Na"	25.00377
"1258791"	464.046586	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+CH3OH+H"	33.033486
"380279"	900.989358	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+K"	38.963158
"740914"	1332.002458	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+K"	38.963158
"1544789"	469.976258	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+K"	38.963158
"304154"	450.998317	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+H+K"	39.970434
"699858"	666.504867	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+H+K"	39.970434
"1452585"	235.491767	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H+K"	39.970434
"242283"	904.060026	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+ACN+H"	42.033826
"1214994"	473.046926	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+ACN+H"	42.033826
"1201061"	237.027101	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+ACN+2H"	43.041102
"198307"	906.99736	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+2Na-H"	44.97116
"634588"	1338.01046	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+2Na-H"	44.97116
"1136999"	475.98426	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2Na-H"	44.97116
"182477"	454.002318	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+2Na"	45.978436
"622035"	669.508868	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+2Na"	45.978436
"1122264"	238.495768	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2Na"	45.978436
"1406882"	159.332937333333	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H+2Na"	46.985712
"1438997"	478.025846	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H+HCOOH"	47.012746
"227601"	459.03534	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+3H2O+2H"	56.04448
"1514571"	492.07789	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+IsoProp+H"	61.06479
"411703"	461.989288	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+Na+K"	61.952376
"770511"	677.495838	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+Na+K"	61.952376
"1668673"	246.482738	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Na+K"	61.952376
"253002"	926.041968	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+ACN+Na"	64.015768
"1228626"	495.028868	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+ACN+Na"	64.015768
"1712810"	495.052393	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+NH4+HCOOH"	64.039293
"1183595"	166.660251333333	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+3Na"	68.967654
"1653855"	500.007788	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Na+HCOOH"	68.994688
"161810"	938.94524	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+2K-H"	76.91904
"599546"	1369.95834	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+2K-H"	76.91904
"1088066"	507.93214	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2K-H"	76.91904
"141604"	469.976258	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"2M+2K"	77.926316
"582379"	685.482808	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"3M+2K"	77.926316
"1072247"	254.469708	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2K"	77.926316
"1109831"	509.946692	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2K+H"	78.933592
"1344030"	510.034307	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+DMSO+H"	79.021207
"1012559"	514.073476	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2ACN+H"	83.060376
"1528497"	515.067108	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+IsoProp+Na+H"	84.054008
"997134"	257.540376	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+2ACN+2H"	84.067652
"1592732"	515.981728	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+K+HCOOH"	84.968628
"1415475"	546.013238	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+H+CF3COOH"	115.000138
"1148682"	278.053651	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+3ACN+2H"	125.094202
"1702607"	563.039785	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+NH4+CF3COOH"	132.026685
"1635098"	567.99518	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+Na+CF3COOH"	136.98208
"1572084"	583.96912	"C17945"	"Phosphonoformyl-CMP;CMP-5-phosphonoformate"	"C10H15N3O12P2"	"431.0131"	"M+K+CF3COOH"	152.95602
"815212"	195.9773	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M"	0
"985464"	176.95891	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-H2O-H"	-19.01839
"68240"	129.644257333333	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M-3H"	-3.021828
"515453"	194.970024	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M-3H"	-3.021828
"895569"	64.3184906666667	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-3H"	-3.021828
"14873"	194.970024	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M-2H"	-2.014552
"455663"	292.958674	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M-2H"	-2.014552
"832756"	96.981374	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-2H"	-2.014552
"93690"	390.947324	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M-H"	-1.007276
"533004"	586.924624	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M-H"	-1.007276
"911292"	194.970024	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-H"	-1.007276
"62595"	407.973871	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M-2H+NH4"	16.019271
"500488"	603.951171	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M-2H+NH4"	16.019271
"876101"	211.996571	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-2H+NH4"	16.019271
"38534"	412.929266	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M-2H+Na"	20.974666
"486725"	608.906566	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M-2H+Na"	20.974666
"862466"	216.951966	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-2H+Na"	20.974666
"1633454"	216.951966	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Na-2H"	20.974666
"106338"	212.958363	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M-H+Cl"	33.962126
"542617"	310.947013	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M-H+Cl"	33.962126
"939413"	114.969713	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-H+Cl"	33.962126
"273596"	426.924002	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+Cl"	34.969402
"671490"	622.901302	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+Cl"	34.969402
"1282798"	230.946702	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Cl"	34.969402
"23167"	428.903206	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M-2H+K"	36.948606
"461633"	624.880506	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M-2H+K"	36.948606
"841622"	232.925906	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-2H+K"	36.948606
"1562924"	232.925906	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+K-2H"	36.948606
"945337"	240.975494	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-H+HCOOH"	44.998194
"370116"	436.952801	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+HCOOH-H"	44.998201
"346462"	450.968451	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+Hac-H"	59.013851
"1495172"	254.991151	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Hac-H"	59.013851
"966003"	262.957451	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-H+NaCOOH"	66.980151
"125119"	230.946702	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+2Cl"	69.938804
"565047"	328.935352	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+2Cl"	69.938804
"1035299"	132.958052	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2Cl"	69.938804
"1254878"	274.896185	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Br"	78.918885
"1318422"	276.952172	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Cl+HCOOH"	80.974872
"1332638"	298.934129	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Cl+NaCOOH"	102.956829
"924790"	308.962886	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M-H+CF3COOH"	112.985586
"1297124"	344.939564	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Cl+CF3COOH"	148.962264
"1373097"	160.964624	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H-2H2O"	-35.012676
"1383418"	178.9746	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H-H2O"	-17.0027
"283469"	392.961876	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+H"	1.007276
"684891"	588.939176	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+H"	1.007276
"1360148"	196.984576	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H"	1.007276
"136319"	196.984576	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+2H"	2.014552
"575878"	294.973226	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+2H"	2.014552
"1050515"	98.995926	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2H"	2.014552
"219146"	131.658809333333	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+3H"	3.021828
"657611"	196.984576	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+3H"	3.021828
"1174645"	66.3330426666667	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+3H"	3.021828
"436823"	409.988423	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+NH4"	18.033823
"793445"	605.965723	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+NH4"	18.033823
"1691963"	214.011123	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+NH4"	18.033823
"340241"	205.4978495	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+H+NH4"	19.041099
"729386"	303.4864995	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+H+NH4"	19.041099
"1484297"	107.5091995	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H+NH4"	19.041099
"396419"	414.943818	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+Na"	22.989218
"754735"	610.921118	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+Na"	22.989218
"1602776"	218.966518	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Na"	22.989218
"315548"	207.975547	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+H+Na"	23.996494
"711250"	305.964197	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+H+Na"	23.996494
"1465072"	109.986897	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H+Na"	23.996494
"1058318"	73.6603566666667	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2H+Na"	25.00377
"1264370"	229.010786	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+CH3OH+H"	33.033486
"381849"	430.917758	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+K"	38.963158
"742116"	626.895058	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+K"	38.963158
"1544899"	234.940458	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+K"	38.963158
"306452"	215.962517	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+H+K"	39.970434
"704343"	313.951167	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+H+K"	39.970434
"1453789"	117.973867	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H+K"	39.970434
"243487"	433.988426	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+ACN+H"	42.033826
"1215104"	238.011126	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+ACN+H"	42.033826
"1202265"	119.509201	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+ACN+2H"	43.041102
"202791"	436.92576	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+2Na-H"	44.97116
"635791"	632.90306	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+2Na-H"	44.97116
"1139297"	240.94846	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2Na-H"	44.97116
"184774"	218.966518	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+2Na"	45.978436
"624333"	316.955168	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+2Na"	45.978436
"1126748"	120.977868	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2Na"	45.978436
"1405898"	80.9876706666667	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H+2Na"	46.985712
"1439107"	242.990046	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H+HCOOH"	47.012746
"228807"	223.99954	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+3H2O+2H"	56.04448
"1511765"	257.04209	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+IsoProp+H"	61.06479
"411816"	226.953488	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+Na+K"	61.952376
"773175"	324.942138	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+Na+K"	61.952376
"1668413"	128.964838	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Na+K"	61.952376
"253840"	455.970368	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+ACN+Na"	64.015768
"1228737"	259.993068	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+ACN+Na"	64.015768
"1713977"	260.016593	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+NH4+HCOOH"	64.039293
"1182977"	88.3149846666667	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+3Na"	68.967654
"1653967"	264.971988	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Na+HCOOH"	68.994688
"160459"	468.87364	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+2K-H"	76.91904
"600020"	664.85094	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+2K-H"	76.91904
"1087083"	272.89634	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2K-H"	76.91904
"146087"	234.940458	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"2M+2K"	77.926316
"583462"	332.929108	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"3M+2K"	77.926316
"1069315"	136.951808	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2K"	77.926316
"1103381"	274.910892	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2K+H"	78.933592
"1340860"	274.998507	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+DMSO+H"	79.021207
"1011576"	279.037676	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2ACN+H"	83.060376
"1526420"	280.031308	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+IsoProp+Na+H"	84.054008
"991775"	140.022476	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+2ACN+2H"	84.067652
"1589195"	280.945928	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+K+HCOOH"	84.968628
"1415947"	310.977438	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+H+CF3COOH"	115.000138
"1149885"	160.535751	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+3ACN+2H"	125.094202
"1699437"	328.003985	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+NH4+CF3COOH"	132.026685
"1637274"	332.95938	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+Na+CF3COOH"	136.98208
"1572194"	348.93332	"C17946"	"Carboxyphosphonopyruvate"	"C4H5O7P"	"195.9773"	"M+K+CF3COOH"	152.95602
"814228"	212.0086	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M"	0
"982292"	192.99021	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-H2O-H"	-19.01839
"65798"	140.331790666667	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M-3H"	-3.021828
"512283"	211.001324	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M-3H"	-3.021828
"895077"	69.6622573333333	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-3H"	-3.021828
"14983"	211.001324	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M-2H"	-2.014552
"455530"	317.005624	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M-2H"	-2.014552
"832561"	104.997024	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-2H"	-2.014552
"94005"	423.009924	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M-H"	-1.007276
"533357"	635.018524	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M-H"	-1.007276
"911293"	211.001324	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-H"	-1.007276
"62503"	440.036471	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M-2H+NH4"	16.019271
"500477"	652.045071	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M-2H+NH4"	16.019271
"877304"	228.027871	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-2H+NH4"	16.019271
"37550"	444.991866	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M-2H+Na"	20.974666
"485740"	657.000466	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M-2H+Na"	20.974666
"863667"	232.983266	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-2H+Na"	20.974666
"1632470"	232.983266	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Na-2H"	20.974666
"107540"	228.989663	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M-H+Cl"	33.962126
"541633"	334.993963	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M-H+Cl"	33.962126
"939523"	122.985363	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-H+Cl"	33.962126
"275892"	458.986602	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+Cl"	34.969402
"670144"	670.995202	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+Cl"	34.969402
"1282908"	246.978002	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Cl"	34.969402
"23277"	460.965806	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M-2H+K"	36.948606
"461743"	672.974406	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M-2H+K"	36.948606
"834198"	248.957206	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-2H+K"	36.948606
"1563033"	248.957206	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+K-2H"	36.948606
"946540"	257.006794	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-H+HCOOH"	44.998194
"369132"	469.015401	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+HCOOH-H"	44.998201
"347181"	483.031051	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+Hac-H"	59.013851
"1494189"	271.022451	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Hac-H"	59.013851
"968299"	278.988751	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-H+NaCOOH"	66.980151
"125434"	246.978002	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+2Cl"	69.938804
"563329"	352.982302	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+2Cl"	69.938804
"1031034"	140.973702	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2Cl"	69.938804
"1256730"	290.927485	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Br"	78.918885
"1319626"	292.983472	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Cl+HCOOH"	80.974872
"1335559"	314.965429	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Cl+NaCOOH"	102.956829
"923805"	324.994186	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M-H+CF3COOH"	112.985586
"1300513"	360.970864	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Cl+CF3COOH"	148.962264
"1373207"	176.995924	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H-2H2O"	-35.012676
"1383287"	195.0059	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H-H2O"	-17.0027
"283581"	425.024476	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+H"	1.007276
"683907"	637.033076	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+H"	1.007276
"1361350"	213.015876	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H"	1.007276
"137521"	213.015876	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+2H"	2.014552
"574894"	319.020176	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+2H"	2.014552
"1050988"	107.011576	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2H"	2.014552
"219256"	142.346342666667	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+3H"	3.021828
"658449"	213.015876	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+3H"	3.021828
"1175848"	71.6768093333333	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+3H"	3.021828
"438026"	442.051023	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+NH4"	18.033823
"794648"	654.059623	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+NH4"	18.033823
"1692073"	230.042423	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+NH4"	18.033823
"335976"	221.5291495	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+H+NH4"	19.041099
"734958"	327.5334495	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+H+NH4"	19.041099
"1484408"	115.5248495	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H+NH4"	19.041099
"399809"	447.006418	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+Na"	22.989218
"760803"	659.015018	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+Na"	22.989218
"1606713"	234.997818	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Na"	22.989218
"317847"	224.006847	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+H+Na"	23.996494
"713548"	330.011147	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+H+Na"	23.996494
"1469556"	118.002547	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H+Na"	23.996494
"1056239"	79.0041233333333	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2H+Na"	25.00377
"1261198"	245.042086	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+CH3OH+H"	33.033486
"384147"	462.980358	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+K"	38.963158
"741864"	674.988958	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+K"	38.963158
"1551210"	250.971758	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+K"	38.963158
"310573"	231.993817	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+H+K"	39.970434
"703360"	337.998117	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+H+K"	39.970434
"1454992"	125.989517	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H+K"	39.970434
"245786"	466.051026	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+ACN+H"	42.033826
"1219588"	254.042426	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+ACN+H"	42.033826
"1203472"	127.524851	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+ACN+2H"	43.041102
"201809"	468.98836	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+2Na-H"	44.97116
"638088"	680.99696	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+2Na-H"	44.97116
"1139407"	256.97976	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2Na-H"	44.97116
"187923"	234.997818	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+2Na"	45.978436
"621529"	341.002118	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+2Na"	45.978436
"1123578"	128.993518	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2Na"	45.978436
"1410383"	86.3314373333333	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H+2Na"	46.985712
"1438126"	259.021346	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H+HCOOH"	47.012746
"223084"	240.03084	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+3H2O+2H"	56.04448
"1511877"	273.07339	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+IsoProp+H"	61.06479
"411927"	242.984788	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+Na+K"	61.952376
"775837"	348.989088	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+Na+K"	61.952376
"1669254"	136.980488	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Na+K"	61.952376
"253588"	488.032968	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+ACN+Na"	64.015768
"1229216"	276.024368	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+ACN+Na"	64.015768
"1715546"	276.047893	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+NH4+HCOOH"	64.039293
"1185275"	93.6587513333333	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+3Na"	68.967654
"1655169"	281.003288	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Na+HCOOH"	68.994688
"160207"	500.93624	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+2K-H"	76.91904
"600496"	712.94484	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+2K-H"	76.91904
"1086950"	288.92764	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2K-H"	76.91904
"144375"	250.971758	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"2M+2K"	77.926316
"582841"	356.976058	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"3M+2K"	77.926316
"1069418"	144.967458	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2K"	77.926316
"1100934"	290.942192	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2K+H"	78.933592
"1337078"	291.029807	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+DMSO+H"	79.021207
"1011686"	295.068976	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2ACN+H"	83.060376
"1527258"	296.062608	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+IsoProp+Na+H"	84.054008
"991398"	148.038126	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+2ACN+2H"	84.067652
"1589669"	296.977228	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+K+HCOOH"	84.968628
"1416424"	327.008738	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+H+CF3COOH"	115.000138
"1152182"	168.551401	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+3ACN+2H"	125.094202
"1699547"	344.035285	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+NH4+CF3COOH"	132.026685
"1637384"	348.99068	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+Na+CF3COOH"	136.98208
"1572304"	364.96462	"C17947"	"2-Phosphinomethylmalate;2-Phosphinomethylmalic acid"	"C5H9O7P"	"212.0086"	"M+K+CF3COOH"	152.95602
"812152"	166.0031	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M"	0
"985684"	146.98471	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-H2O-H"	-19.01839
"65180"	109.661457333333	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M-3H"	-3.021828
"514580"	164.995824	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M-3H"	-3.021828
"886917"	54.3270906666667	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-3H"	-3.021828
"15335"	164.995824	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M-2H"	-2.014552
"455520"	247.997374	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M-2H"	-2.014552
"832499"	81.994274	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-2H"	-2.014552
"93949"	330.998924	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M-H"	-1.007276
"533224"	497.002024	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M-H"	-1.007276
"911110"	164.995824	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-H"	-1.007276
"55679"	348.025471	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M-2H+NH4"	16.019271
"495238"	514.028571	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M-2H+NH4"	16.019271
"874134"	182.022371	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-2H+NH4"	16.019271
"36567"	352.980866	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M-2H+Na"	20.974666
"484879"	518.983966	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M-2H+Na"	20.974666
"862685"	186.977766	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-2H+Na"	20.974666
"1631851"	186.977766	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Na-2H"	20.974666
"104371"	182.984163	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M-H+Cl"	33.962126
"541743"	265.985713	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M-H+Cl"	33.962126
"938540"	99.982613	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-H+Cl"	33.962126
"274909"	366.975602	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+Cl"	34.969402
"672805"	532.978702	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+Cl"	34.969402
"1285206"	200.972502	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Cl"	34.969402
"26668"	368.954806	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M-2H+K"	36.948606
"461853"	534.957906	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M-2H+K"	36.948606
"834430"	202.951706	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-2H+K"	36.948606
"1563143"	202.951706	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+K-2H"	36.948606
"945557"	211.001294	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-H+HCOOH"	44.998194
"369242"	377.004401	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+HCOOH-H"	44.998201
"346927"	391.020051	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+Hac-H"	59.013851
"1492764"	225.016951	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Hac-H"	59.013851
"968409"	232.983251	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-H+NaCOOH"	66.980151
"123880"	200.972502	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+2Cl"	69.938804
"562346"	283.974052	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+2Cl"	69.938804
"1031144"	117.970952	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2Cl"	69.938804
"1256435"	244.921985	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Br"	78.918885
"1317548"	246.977972	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Cl+HCOOH"	80.974872
"1333951"	268.959929	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Cl+NaCOOH"	102.956829
"921728"	278.988686	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M-H+CF3COOH"	112.985586
"1299530"	314.965364	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Cl+CF3COOH"	148.962264
"1373317"	130.990424	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H-2H2O"	-35.012676
"1383153"	149.0004	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H-H2O"	-17.0027
"282878"	333.013476	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+H"	1.007276
"676076"	499.016576	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+H"	1.007276
"1360367"	167.010376	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H"	1.007276
"136538"	167.010376	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+2H"	2.014552
"572817"	250.011926	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+2H"	2.014552
"1052193"	84.008826	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2H"	2.014552
"219489"	111.676009333333	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+3H"	3.021828
"659655"	167.010376	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+3H"	3.021828
"1177051"	56.3416426666667	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+3H"	3.021828
"438136"	350.040023	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+NH4"	18.033823
"796944"	516.043123	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+NH4"	18.033823
"1687806"	184.036923	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+NH4"	18.033823
"342648"	175.5236495	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+H+NH4"	19.041099
"735068"	258.5251995	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+H+NH4"	19.041099
"1482331"	92.5220995	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H+NH4"	19.041099
"399919"	354.995418	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+Na"	22.989218
"758728"	520.998518	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+Na"	22.989218
"1605732"	188.992318	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Na"	22.989218
"317956"	178.001347	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+H+Na"	23.996494
"713660"	261.002897	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+H+Na"	23.996494
"1468574"	94.999797	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H+Na"	23.996494
"1057443"	63.6689566666667	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2H+Na"	25.00377
"1266412"	199.036586	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+CH3OH+H"	33.033486
"384257"	370.969358	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+K"	38.963158
"744158"	536.972458	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+K"	38.963158
"1545118"	204.966258	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+K"	38.963158
"305577"	185.988317	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+H+K"	39.970434
"702377"	268.989867	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+H+K"	39.970434
"1455103"	102.986767	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H+K"	39.970434
"246989"	374.040026	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+ACN+H"	42.033826
"1216418"	208.036926	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+ACN+H"	42.033826
"1203582"	104.522101	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+ACN+2H"	43.041102
"201919"	376.97736	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+2Na-H"	44.97116
"642572"	542.98046	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+2Na-H"	44.97116
"1140610"	210.97426	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2Na-H"	44.97116
"184995"	188.992318	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+2Na"	45.978436
"623464"	271.993868	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+2Na"	45.978436
"1126970"	105.990768	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2Na"	45.978436
"1411589"	70.9962706666667	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H+2Na"	46.985712
"1440425"	213.015846	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H+HCOOH"	47.012746
"223193"	194.02534	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+3H2O+2H"	56.04448
"1511623"	227.06789	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+IsoProp+H"	61.06479
"411673"	196.979288	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+Na+K"	61.952376
"773399"	279.980838	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+Na+K"	61.952376
"1668638"	113.977738	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Na+K"	61.952376
"253090"	396.021968	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+ACN+Na"	64.015768
"1232243"	230.018868	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+ACN+Na"	64.015768
"1716754"	230.042393	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+NH4+HCOOH"	64.039293
"1183198"	78.3235846666667	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+3Na"	68.967654
"1653093"	234.997788	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Na+HCOOH"	68.994688
"159223"	408.92524	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+2K-H"	76.91904
"600608"	574.92834	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+2K-H"	76.91904
"1086333"	242.92214	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2K-H"	76.91904
"144122"	204.966258	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"2M+2K"	77.926316
"583682"	287.967808	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"3M+2K"	77.926316
"1068923"	121.964708	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2K"	77.926316
"1101043"	244.936692	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2K+H"	78.933592
"1339985"	245.024307	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+DMSO+H"	79.021207
"1008515"	249.063476	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2ACN+H"	83.060376
"1524813"	250.057108	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+IsoProp+Na+H"	84.054008
"993088"	125.035376	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+2ACN+2H"	84.067652
"1589781"	250.971728	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+K+HCOOH"	84.968628
"1416534"	281.003238	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+H+CF3COOH"	115.000138
"1153385"	145.548651	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+3ACN+2H"	125.094202
"1697589"	298.029785	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+NH4+CF3COOH"	132.026685
"1635307"	302.98518	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+Na+CF3COOH"	136.98208
"1572050"	318.95912	"C17948"	"Deamino-alpha-keto-demethylphosphinothricin;4-(Hydroxyphosphinyl)-2-oxobutyric acid"	"C4H7O5P"	"166.0031"	"M+K+CF3COOH"	152.95602
"813355"	209.0453	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M"	0
"983607"	190.02691	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-H2O-H"	-19.01839
"74035"	138.356257333333	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M-3H"	-3.021828
"517242"	208.038024	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M-3H"	-3.021828
"887027"	68.6744906666667	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-3H"	-3.021828
"13017"	208.038024	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M-2H"	-2.014552
"455498"	312.560674	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M-2H"	-2.014552
"832490"	103.515374	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-2H"	-2.014552
"93289"	417.083324	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M-H"	-1.007276
"532848"	626.128624	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M-H"	-1.007276
"908584"	208.038024	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-H"	-1.007276
"57975"	434.109871	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M-2H+NH4"	16.019271
"495348"	643.155171	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M-2H+NH4"	16.019271
"874244"	225.064571	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-2H+NH4"	16.019271
"35583"	439.065266	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M-2H+Na"	20.974666
"477329"	648.110566	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M-2H+Na"	20.974666
"856224"	230.019966	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-2H+Na"	20.974666
"1630138"	230.019966	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Na-2H"	20.974666
"105574"	226.026363	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M-H+Cl"	33.962126
"540760"	330.549013	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M-H+Cl"	33.962126
"938650"	121.503713	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-H+Cl"	33.962126
"273926"	453.060002	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+Cl"	34.969402
"672913"	662.105302	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+Cl"	34.969402
"1285316"	244.014702	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Cl"	34.969402
"30058"	455.039206	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M-2H+K"	36.948606
"464151"	664.084506	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M-2H+K"	36.948606
"838673"	245.993906	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-2H+K"	36.948606
"1562160"	245.993906	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+K-2H"	36.948606
"943845"	254.043494	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-H+HCOOH"	44.998194
"369352"	463.088801	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+HCOOH-H"	44.998201
"347037"	477.104451	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+Hac-H"	59.013851
"1493680"	268.059151	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Hac-H"	59.013851
"970706"	276.025451	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-H+NaCOOH"	66.980151
"122532"	244.014702	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+2Cl"	69.938804
"563549"	348.537352	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+2Cl"	69.938804
"1032347"	139.492052	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2Cl"	69.938804
"1255573"	287.964185	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Br"	78.918885
"1316565"	290.020172	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Cl+HCOOH"	80.974872
"1334062"	312.002129	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Cl+NaCOOH"	102.956829
"925851"	322.030886	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M-H+CF3COOH"	112.985586
"1301828"	358.007564	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Cl+CF3COOH"	148.962264
"1376707"	174.032624	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H-2H2O"	-35.012676
"1386548"	192.0426	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H-H2O"	-17.0027
"287327"	419.097876	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+H"	1.007276
"678659"	628.143176	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+H"	1.007276
"1360477"	210.052576	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H"	1.007276
"136648"	210.052576	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+2H"	2.014552
"572927"	314.575226	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+2H"	2.014552
"1051575"	105.529926	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2H"	2.014552
"219598"	140.370809333333	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+3H"	3.021828
"659805"	210.052576	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+3H"	3.021828
"1177528"	70.6890426666667	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+3H"	3.021828
"439221"	436.124423	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+NH4"	18.033823
"797054"	645.169723	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+NH4"	18.033823
"1691197"	227.079123	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+NH4"	18.033823
"344947"	218.5658495	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+H+NH4"	19.041099
"735178"	323.0884995	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+H+NH4"	19.041099
"1480254"	114.0431995	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H+NH4"	19.041099
"400030"	441.079818	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+Na"	22.989218
"761024"	650.125118	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+Na"	22.989218
"1608030"	232.034518	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Na"	22.989218
"321347"	221.043547	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+H+Na"	23.996494
"714864"	325.566197	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+H+Na"	23.996494
"1466497"	116.520897	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H+Na"	23.996494
"1063021"	78.0163566666667	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2H+Na"	25.00377
"1266161"	242.078786	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+CH3OH+H"	33.033486
"382181"	457.053758	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+K"	38.963158
"742082"	666.099058	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+K"	38.963158
"1543040"	248.008458	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+K"	38.963158
"307874"	229.030517	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+H+K"	39.970434
"700301"	333.553167	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+H+K"	39.970434
"1454119"	124.507867	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H+K"	39.970434
"243820"	460.124426	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+ACN+H"	42.033826
"1217623"	251.079126	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+ACN+H"	42.033826
"1203693"	126.043201	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+ACN+2H"	43.041102
"202883"	463.06176	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+2Na-H"	44.97116
"641954"	672.10706	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+2Na-H"	44.97116
"1140722"	254.01646	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2Na-H"	44.97116
"181825"	232.034518	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+2Na"	45.978436
"625399"	336.557168	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+2Na"	45.978436
"1127080"	127.511868	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2Na"	45.978436
"1405136"	85.3436706666667	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H+2Na"	46.985712
"1437254"	256.058046	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H+HCOOH"	47.012746
"223669"	237.06754	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+3H2O+2H"	56.04448
"1510640"	270.11009	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+IsoProp+H"	61.06479
"411419"	240.021488	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+Na+K"	61.952376
"773509"	344.544138	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+Na+K"	61.952376
"1668748"	135.498838	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Na+K"	61.952376
"253807"	482.106368	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+ACN+Na"	64.015768
"1227979"	273.061068	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+ACN+Na"	64.015768
"1714677"	273.084593	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+NH4+HCOOH"	64.039293
"1183309"	92.6709846666667	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+3Na"	68.967654
"1652835"	278.039988	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Na+HCOOH"	68.994688
"158970"	495.00964	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+2K-H"	76.91904
"600716"	704.05494	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+2K-H"	76.91904
"1086322"	285.96434	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2K-H"	76.91904
"145326"	248.008458	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"2M+2K"	77.926316
"583913"	352.531108	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"3M+2K"	77.926316
"1068908"	143.485808	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2K"	77.926316
"1100546"	287.978892	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2K+H"	78.933592
"1339366"	288.066507	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+DMSO+H"	79.021207
"1007895"	292.105676	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2ACN+H"	83.060376
"1524188"	293.099308	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+IsoProp+Na+H"	84.054008
"991006"	146.556476	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+2ACN+2H"	84.067652
"1588429"	294.013928	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+K+HCOOH"	84.968628
"1415914"	324.045438	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+H+CF3COOH"	115.000138
"1153495"	167.069751	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+3ACN+2H"	125.094202
"1697334"	341.071985	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+NH4+CF3COOH"	132.026685
"1635052"	346.02738	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+Na+CF3COOH"	136.98208
"1572160"	362.00132	"C17949"	"N-Acetyldemethylphosphinothricin;N-Adpt"	"C6H12NO5P"	"209.0453"	"M+K+CF3COOH"	152.95602
"813465"	351.1195	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M"	0
"987727"	332.10111	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-H2O-H"	-19.01839
"74145"	233.072390666667	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M-3H"	-3.021828
"515893"	350.112224	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M-3H"	-3.021828
"890417"	116.032557333333	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-3H"	-3.021828
"6806"	350.112224	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M-2H"	-2.014552
"454397"	525.671974	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M-2H"	-2.014552
"832318"	174.552474	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-2H"	-2.014552
"93527"	701.231724	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M-H"	-1.007276
"531620"	1052.351224	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M-H"	-1.007276
"905896"	350.112224	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-H"	-1.007276
"58086"	718.258271	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M-2H+NH4"	16.019271
"496551"	1069.377771	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M-2H+NH4"	16.019271
"874354"	367.138771	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-2H+NH4"	16.019271
"35693"	723.213666	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M-2H+Na"	20.974666
"475253"	1074.333166	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M-2H+Na"	20.974666
"861801"	372.094166	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-2H+Na"	20.974666
"1628062"	372.094166	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Na-2H"	20.974666
"103498"	368.100563	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M-H+Cl"	33.962126
"539777"	543.660313	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M-H+Cl"	33.962126
"937303"	192.540813	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-H+Cl"	33.962126
"276223"	737.208402	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+Cl"	34.969402
"673997"	1088.327902	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+Cl"	34.969402
"1285426"	386.088902	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Cl"	34.969402
"27983"	739.187606	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M-2H+K"	36.948606
"467541"	1090.307106	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M-2H+K"	36.948606
"842063"	388.068106	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-2H+K"	36.948606
"1558990"	388.068106	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+K-2H"	36.948606
"943631"	396.117694	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-H+HCOOH"	44.998194
"369462"	747.237201	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+HCOOH-H"	44.998201
"346498"	761.252851	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+Hac-H"	59.013851
"1493467"	410.133351	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Hac-H"	59.013851
"970816"	418.099651	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-H+NaCOOH"	66.980151
"124101"	386.088902	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+2Cl"	69.938804
"563295"	561.648652	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+2Cl"	69.938804
"1031365"	210.529152	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2Cl"	69.938804
"1254955"	430.038385	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Br"	78.918885
"1318502"	432.094372	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Cl+HCOOH"	80.974872
"1333812"	454.076329	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Cl+NaCOOH"	102.956829
"924505"	464.105086	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M-H+CF3COOH"	112.985586
"1300480"	500.081764	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Cl+CF3COOH"	148.962264
"1377910"	316.106824	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H-2H2O"	-35.012676
"1386658"	334.1168	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H-H2O"	-17.0027
"287437"	703.246276	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+H"	1.007276
"675971"	1054.365776	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+H"	1.007276
"1351715"	352.126776	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H"	1.007276
"136758"	352.126776	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+2H"	2.014552
"573038"	527.686526	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+2H"	2.014552
"1051685"	176.567026	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2H"	2.014552
"219181"	235.086942666667	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+3H"	3.021828
"658780"	352.126776	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+3H"	3.021828
"1177758"	118.047109333333	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+3H"	3.021828
"439857"	720.272823	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+NH4"	18.033823
"801015"	1071.392323	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+NH4"	18.033823
"1691307"	369.153323	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+NH4"	18.033823
"335211"	360.6400495	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+H+NH4"	19.041099
"737477"	536.1997995	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+H+NH4"	19.041099
"1481462"	185.0802995	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H+NH4"	19.041099
"402329"	725.228218	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+Na"	22.989218
"762229"	1076.347718	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+Na"	22.989218
"1608141"	374.108718	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Na"	22.989218
"318178"	363.117747	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+H+Na"	23.996494
"714611"	538.677497	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+H+Na"	23.996494
"1471346"	187.557997	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H+Na"	23.996494
"1062038"	125.374423333333	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2H+Na"	25.00377
"1269916"	384.152986	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+CH3OH+H"	33.033486
"383384"	741.202158	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+K"	38.963158
"743285"	1092.321658	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+K"	38.963158
"1541447"	390.082658	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+K"	38.963158
"307986"	371.104717	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+H+K"	39.970434
"702964"	546.664467	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+H+K"	39.970434
"1460190"	195.544967	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H+K"	39.970434
"246844"	744.272826	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+ACN+H"	42.033826
"1222104"	393.153326	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+ACN+H"	42.033826
"1207448"	197.080301	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+ACN+2H"	43.041102
"202140"	747.21016	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+2Na-H"	44.97116
"643404"	1098.32966	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+2Na-H"	44.97116
"1144843"	396.09066	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2Na-H"	44.97116
"184121"	374.108718	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+2Na"	45.978436
"624417"	549.668468	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+2Na"	45.978436
"1126826"	198.548968	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2Na"	45.978436
"1408526"	132.701737333333	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H+2Na"	46.985712
"1438823"	398.132246	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H+HCOOH"	47.012746
"224873"	379.14174	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+3H2O+2H"	56.04448
"1511842"	412.18429	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+IsoProp+H"	61.06479
"412622"	382.095688	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+Na+K"	61.952376
"775805"	557.655438	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+Na+K"	61.952376
"1672139"	206.535938	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Na+K"	61.952376
"258659"	766.254768	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+ACN+Na"	64.015768
"1228453"	415.135268	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+ACN+Na"	64.015768
"1714788"	415.158793	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+NH4+HCOOH"	64.039293
"1183422"	140.029051333333	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+3Na"	68.967654
"1653314"	420.114188	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Na+HCOOH"	68.994688
"160175"	779.15804	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+2K-H"	76.91904
"606662"	1130.27754	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+2K-H"	76.91904
"1092633"	428.03854	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2K-H"	76.91904
"146534"	390.082658	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"2M+2K"	77.926316
"583176"	565.642408	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"3M+2K"	77.926316
"1070606"	214.522908	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2K"	77.926316
"1100777"	430.053092	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2K+H"	78.933592
"1336918"	430.140707	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+DMSO+H"	79.021207
"1007032"	434.179876	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2ACN+H"	83.060376
"1524547"	435.173508	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+IsoProp+Na+H"	84.054008
"990508"	217.593576	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+2ACN+2H"	84.067652
"1588908"	436.088128	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+K+HCOOH"	84.968628
"1416024"	466.119638	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+H+CF3COOH"	115.000138
"1156886"	238.106851	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+3ACN+2H"	125.094202
"1703158"	483.146185	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+NH4+CF3COOH"	132.026685
"1637714"	488.10158	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+Na+CF3COOH"	136.98208
"1571417"	504.07552	"C17950"	"N-Acetyldemethylphosphinothricin tripeptide"	"C12H22N3O7P"	"351.1195"	"M+K+CF3COOH"	152.95602
"805920"	365.1352	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M"	0
"982732"	346.11681	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-H2O-H"	-19.01839
"65506"	242.416190666667	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M-3H"	-3.021828
"518069"	364.127924	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M-3H"	-3.021828
"894903"	120.704457333333	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-3H"	-3.021828
"12381"	364.127924	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M-2H"	-2.014552
"451943"	546.695524	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M-2H"	-2.014552
"832461"	181.560324	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-2H"	-2.014552
"93882"	729.263124	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M-H"	-1.007276
"533800"	1094.398324	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M-H"	-1.007276
"910380"	364.127924	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-H"	-1.007276
"62338"	746.289671	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M-2H+NH4"	16.019271
"502144"	1111.424871	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M-2H+NH4"	16.019271
"878967"	381.154471	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-2H+NH4"	16.019271
"43457"	751.245066	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M-2H+Na"	20.974666
"483017"	1116.380266	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M-2H+Na"	20.974666
"862641"	386.109866	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-2H+Na"	20.974666
"1627076"	386.109866	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Na-2H"	20.974666
"101421"	382.116263	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M-H+Cl"	33.962126
"539156"	564.683863	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M-H+Cl"	33.962126
"932309"	199.548663	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-H+Cl"	33.962126
"273053"	765.239802	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+Cl"	34.969402
"672042"	1130.375002	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+Cl"	34.969402
"1283348"	400.104602	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Cl"	34.969402
"23717"	767.219006	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M-2H+K"	36.948606
"458903"	1132.354206	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M-2H+K"	36.948606
"839986"	402.083806	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-2H+K"	36.948606
"1560192"	402.083806	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+K-2H"	36.948606
"945886"	410.133394	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-H+HCOOH"	44.998194
"363739"	775.268601	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+HCOOH-H"	44.998201
"350174"	789.284251	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+Hac-H"	59.013851
"1494631"	424.149051	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Hac-H"	59.013851
"961077"	432.115351	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-H+NaCOOH"	66.980151
"123844"	400.104602	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+2Cl"	69.938804
"556114"	582.672202	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+2Cl"	69.938804
"1032568"	217.537002	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2Cl"	69.938804
"1255428"	444.054085	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Br"	78.918885
"1318611"	446.110072	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Cl+HCOOH"	80.974872
"1333918"	468.092029	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Cl+NaCOOH"	102.956829
"924978"	478.120786	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M-H+CF3COOH"	112.985586
"1296580"	514.097464	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Cl+CF3COOH"	148.962264
"1378020"	330.122524	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H-2H2O"	-35.012676
"1390047"	348.1325	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H-H2O"	-17.0027
"287548"	731.277676	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+H"	1.007276
"676447"	1096.412876	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+H"	1.007276
"1352671"	366.142476	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H"	1.007276
"129576"	366.142476	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+2H"	2.014552
"570594"	548.710076	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+2H"	2.014552
"1052162"	183.574876	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2H"	2.014552
"219819"	244.430742666667	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+3H"	3.021828
"658159"	366.142476	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+3H"	3.021828
"1178234"	122.719009333333	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+3H"	3.021828
"439873"	748.304223	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+NH4"	18.033823
"801042"	1113.439423	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+NH4"	18.033823
"1691417"	383.169023	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+NH4"	18.033823
"338601"	374.6557495	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+H+NH4"	19.041099
"737586"	557.2233495	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+H+NH4"	19.041099
"1482665"	192.0881495	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H+NH4"	19.041099
"400250"	753.259618	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+Na"	22.989218
"762339"	1118.394818	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+Na"	22.989218
"1610438"	388.124418	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Na"	22.989218
"321571"	377.133447	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+H+Na"	23.996494
"717274"	559.701047	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+H+Na"	23.996494
"1474008"	194.565847	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H+Na"	23.996494
"1062877"	130.046323333333	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2H+Na"	25.00377
"1270390"	398.168686	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+CH3OH+H"	33.033486
"385681"	769.233558	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+K"	38.963158
"742301"	1134.368758	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+K"	38.963158
"1540465"	404.098358	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+K"	38.963158
"309189"	385.120417	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+H+K"	39.970434
"705990"	567.688017	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+H+K"	39.970434
"1460757"	202.552817	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H+K"	39.970434
"251138"	772.304226	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+ACN+H"	42.033826
"1220027"	407.169026	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+ACN+H"	42.033826
"1204641"	204.088151	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+ACN+2H"	43.041102
"203101"	775.24156	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+2Na-H"	44.97116
"642907"	1140.37676	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+2Na-H"	44.97116
"1145316"	410.10636	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2Na-H"	44.97116
"186784"	388.124418	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+2Na"	45.978436
"625980"	570.692018	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+2Na"	45.978436
"1125113"	205.556818	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2Na"	45.978436
"1409730"	137.373637333333	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H+2Na"	46.985712
"1440028"	412.147946	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H+HCOOH"	47.012746
"230089"	393.15744	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+3H2O+2H"	56.04448
"1515963"	426.19999	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+IsoProp+H"	61.06479
"418565"	396.111388	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+Na+K"	61.952376
"779562"	578.678988	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+Na+K"	61.952376
"1676261"	213.543788	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Na+K"	61.952376
"261685"	794.286168	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+ACN+Na"	64.015768
"1233303"	429.150968	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+ACN+Na"	64.015768
"1719999"	429.174493	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+NH4+HCOOH"	64.039293
"1188270"	144.700951333333	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+3Na"	68.967654
"1658527"	434.129888	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Na+HCOOH"	68.994688
"161380"	807.18944	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+2K-H"	76.91904
"604221"	1172.32464	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+2K-H"	76.91904
"1092015"	442.05424	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2K-H"	76.91904
"148467"	404.098358	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"2M+2K"	77.926316
"585110"	586.665958	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"3M+2K"	77.926316
"1070718"	221.530758	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2K"	77.926316
"1100765"	444.068792	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2K+H"	78.933592
"1337150"	444.156407	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+DMSO+H"	79.021207
"1005922"	448.195576	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2ACN+H"	83.060376
"1524536"	449.189208	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+IsoProp+Na+H"	84.054008
"990293"	224.601426	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+2ACN+2H"	84.067652
"1589017"	450.103828	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+K+HCOOH"	84.968628
"1415284"	480.135338	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+H+CF3COOH"	115.000138
"1156996"	245.114701	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+3ACN+2H"	125.094202
"1703268"	497.161885	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+NH4+CF3COOH"	132.026685
"1637824"	502.11728	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+Na+CF3COOH"	136.98208
"1571651"	518.09122	"C17951"	"N-Acetylbialaphos;N-Acetylphosphinothricin tripeptide"	"C13H24N3O7P"	"365.1352"	"M+K+CF3COOH"	152.95602
"806030"	223.061	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M"	0
"979562"	204.04261	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-H2O-H"	-19.01839
"62981"	147.700057333333	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M-3H"	-3.021828
"506272"	222.053724	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M-3H"	-3.021828
"890638"	73.3463906666667	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-3H"	-3.021828
"5930"	222.053724	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M-2H"	-2.014552
"447680"	333.584224	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M-2H"	-2.014552
"827668"	110.523224	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-2H"	-2.014552
"88754"	445.114724	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M-H"	-1.007276
"528315"	668.175724	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M-H"	-1.007276
"907209"	222.053724	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-H"	-1.007276
"58303"	462.141271	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M-2H+NH4"	16.019271
"501875"	685.202271	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M-2H+NH4"	16.019271
"875666"	239.080271	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-2H+NH4"	16.019271
"42473"	467.096666	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M-2H+Na"	20.974666
"482034"	690.157666	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M-2H+Na"	20.974666
"859834"	244.035666	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-2H+Na"	20.974666
"1624996"	244.035666	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Na-2H"	20.974666
"99338"	240.042063	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M-H+Cl"	33.962126
"538900"	351.572563	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M-H+Cl"	33.962126
"929503"	128.511563	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-H+Cl"	33.962126
"267816"	481.091402	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+Cl"	34.969402
"672152"	704.152402	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+Cl"	34.969402
"1283459"	258.030402	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Cl"	34.969402
"27108"	483.070606	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M-2H+K"	36.948606
"461201"	706.131606	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M-2H+K"	36.948606
"840096"	260.009606	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-2H+K"	36.948606
"1559209"	260.009606	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+K-2H"	36.948606
"944902"	268.059194	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-H+HCOOH"	44.998194
"363485"	491.120201	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+HCOOH-H"	44.998201
"350284"	505.135851	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+Hac-H"	59.013851
"1495835"	282.074851	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Hac-H"	59.013851
"963374"	290.041151	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-H+NaCOOH"	66.980151
"114471"	258.030402	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+2Cl"	69.938804
"557317"	369.560902	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+2Cl"	69.938804
"1032678"	146.499902	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2Cl"	69.938804
"1255538"	301.979885	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Br"	78.918885
"1317626"	304.035872	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Cl+HCOOH"	80.974872
"1334028"	326.017829	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Cl+NaCOOH"	102.956829
"919982"	336.046586	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M-H+CF3COOH"	112.985586
"1298876"	372.023264	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Cl+CF3COOH"	148.962264
"1378129"	188.048324	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H-2H2O"	-35.012676
"1391250"	206.0583	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H-H2O"	-17.0027
"287658"	447.129276	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+H"	1.007276
"677164"	670.190276	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+H"	1.007276
"1352052"	224.068276	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H"	1.007276
"129686"	224.068276	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+2H"	2.014552
"570340"	335.598776	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+2H"	2.014552
"1050447"	112.537776	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2H"	2.014552
"219796"	149.714609333333	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+3H"	3.021828
"657177"	224.068276	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+3H"	3.021828
"1178389"	75.3609426666667	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+3H"	3.021828
"437119"	464.155823	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+NH4"	18.033823
"800909"	687.216823	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+NH4"	18.033823
"1691527"	241.094823	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+NH4"	18.033823
"339805"	232.5815495	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+H+NH4"	19.041099
"735509"	344.1120495	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+H+NH4"	19.041099
"1484965"	121.0510495	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H+NH4"	19.041099
"402551"	469.111218	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+Na"	22.989218
"765731"	692.172218	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+Na"	22.989218
"1613829"	246.050218	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Na"	22.989218
"322775"	235.059247	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+H+Na"	23.996494
"721030"	346.589747	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+H+Na"	23.996494
"1475576"	123.528747	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H+Na"	23.996494
"1061165"	82.6882566666667	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2H+Na"	25.00377
"1272676"	256.094486	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+CH3OH+H"	33.033486
"385793"	485.085158	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+K"	38.963158
"747881"	708.146158	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+K"	38.963158
"1541547"	262.024158	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+K"	38.963158
"310392"	243.046217	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+H+K"	39.970434
"706874"	354.576717	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+H+K"	39.970434
"1461179"	131.515717	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H+K"	39.970434
"250924"	488.155826	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+ACN+H"	42.033826
"1223782"	265.094826	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+ACN+H"	42.033826
"1204751"	133.051051	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+ACN+2H"	43.041102
"203699"	491.09316	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+2Na-H"	44.97116
"643505"	714.15416	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+2Na-H"	44.97116
"1144697"	268.03216	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2Na-H"	44.97116
"185435"	246.050218	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+2Na"	45.978436
"623903"	357.580718	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+2Na"	45.978436
"1125223"	134.519718	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2Na"	45.978436
"1408745"	90.0155706666667	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H+2Na"	46.985712
"1441595"	270.073746	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H+HCOOH"	47.012746
"227281"	251.08324	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+3H2O+2H"	56.04448
"1515344"	284.12579	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+IsoProp+H"	61.06479
"413207"	254.037188	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+Na+K"	61.952376
"774934"	365.567688	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+Na+K"	61.952376
"1677466"	142.506688	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Na+K"	61.952376
"262163"	510.137768	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+ACN+Na"	64.015768
"1232684"	287.076768	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+ACN+Na"	64.015768
"1721571"	287.100293	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+NH4+HCOOH"	64.039293
"1185831"	97.3428846666667	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+3Na"	68.967654
"1655724"	292.055688	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Na+HCOOH"	68.994688
"163679"	523.04104	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+2K-H"	76.91904
"605426"	746.10204	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+2K-H"	76.91904
"1089939"	299.98004	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2K-H"	76.91904
"154045"	262.024158	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"2M+2K"	77.926316
"586316"	373.554658	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"3M+2K"	77.926316
"1073017"	150.493658	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2K"	77.926316
"1100632"	301.994592	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2K+H"	78.933592
"1336166"	302.082207	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+DMSO+H"	79.021207
"1006397"	306.121376	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2ACN+H"	83.060376
"1524203"	307.115008	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+IsoProp+Na+H"	84.054008
"989966"	153.564326	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+2ACN+2H"	84.067652
"1587425"	308.029628	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+K+HCOOH"	84.968628
"1414341"	338.061138	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+H+CF3COOH"	115.000138
"1157106"	174.077601	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+3ACN+2H"	125.094202
"1706658"	355.087685	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+NH4+CF3COOH"	132.026685
"1637934"	360.04308	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+Na+CF3COOH"	136.98208
"1571558"	376.01702	"C17952"	"N-Acetylphosphinothricin;L-N-Acetylphosphinothricin;N-Acetyl-L-Glufosinate;N-Acetylphinothricin"	"C7H14NO5P"	"223.061"	"M+K+CF3COOH"	152.95602
"809420"	220.1827	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M"	0
"979671"	201.16431	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"69006"	145.781190666667	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"517805"	219.175424	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"891841"	72.3869573333333	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"14426"	219.175424	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"449976"	329.266774	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"831059"	109.084074	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"91049"	439.358124	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"531702"	659.540824	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"910354"	219.175424	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"60847"	456.384671	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"501379"	676.567371	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"878696"	236.201971	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"45138"	461.340066	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"484699"	681.522766	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"862133"	241.157366	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1626200"	241.157366	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"100540"	237.163763	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"543382"	347.255113	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"932529"	127.072413	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"269992"	475.334802	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"672630"	695.517502	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1287580"	255.152102	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"30743"	477.314006	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"467871"	697.496706	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"845674"	257.131306	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1562599"	257.131306	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"943509"	265.180894	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"368698"	485.363601	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"353674"	499.379251	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1499225"	279.196551	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"963484"	287.162851	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"114581"	255.152102	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"562894"	365.243452	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1034975"	145.060752	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1254555"	299.101585	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1318830"	301.157572	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1333045"	323.139529	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"920092"	333.168286	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1300080"	369.144964	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1373865"	185.170024	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1388079"	203.18	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"289955"	441.372676	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"685659"	661.555376	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1355448"	221.189976	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"129796"	221.189976	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"570086"	331.281326	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1050921"	111.098626	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"218702"	147.795742666667	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"657167"	221.189976	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1177238"	74.4015093333333	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"437837"	458.399223	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"800654"	678.581923	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1693825"	238.216523	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"337727"	229.7032495	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"734526"	339.7945995	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1482890"	119.6118995	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"402660"	463.354618	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"762562"	683.537318	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1611755"	243.171918	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"323978"	232.180947	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"718586"	342.272297	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1473498"	122.089597	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1061275"	81.7288233333333	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1271338"	253.216186	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"392464"	479.328558	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"746899"	699.511258	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1541295"	259.145858	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"311596"	240.167917	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"703293"	350.259267	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1456384"	130.076567	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"251067"	482.399226	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1224140"	262.216526	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1208023"	131.611901	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"201742"	485.33656	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"642035"	705.51926	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1144809"	265.15386	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"181902"	243.171918	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"621827"	353.263268	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1124970"	133.080568	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1407400"	89.0561373333333	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1437694"	267.195446	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"224110"	248.20494	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1512173"	281.24749	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417693"	251.158888	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"776137"	361.250238	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1677209"	141.067538	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"263365"	504.381168	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1234982"	284.198468	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1724961"	284.221993	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1183755"	96.3834513333333	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1659116"	289.177388	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"169257"	517.28444	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"609546"	737.46714	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1096245"	297.10174	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"154885"	259.145858	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"589706"	369.237208	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1072034"	149.054508	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1104147"	299.116292	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1336520"	299.203907	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1007968"	303.243076	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1525367"	304.236708	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"991084"	152.125176	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1587414"	305.151328	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1414199"	335.182838	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1147365"	172.638451	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1707861"	352.209385	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1635492"	357.16478	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1571627"	373.13872	"C17953"	"(5S)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"806250"	218.1671	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M"	0
"975042"	199.14871	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"69116"	144.437457333333	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"514147"	217.159824	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"886484"	71.7150906666667	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"11619"	217.159824	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"450086"	326.243374	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"830926"	108.076274	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"92741"	435.326924	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"531812"	653.494024	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"908519"	217.159824	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"56333"	452.353471	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"502590"	670.520571	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"878806"	234.186371	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"44152"	457.308866	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"485295"	675.475966	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"862608"	239.141766	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1629226"	239.141766	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"101744"	235.148163	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"543493"	344.231713	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"931546"	126.064613	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"270102"	471.303602	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"666900"	689.470702	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1286838"	253.136502	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"28058"	473.282806	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"463608"	691.449906	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"844690"	255.115706	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1562709"	255.115706	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"944029"	263.165294	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"372088"	481.332401	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"354877"	495.348051	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1499334"	277.180951	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"963594"	285.147251	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"115784"	253.136502	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"563004"	362.220052	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1033989"	144.052952	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1254665"	297.085985	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1318940"	299.141972	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1333155"	321.123929	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"920202"	331.152686	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1302376"	367.129364	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1376162"	183.154424	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1388191"	201.1644	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"296626"	437.341476	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"686862"	655.508576	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1357745"	219.174376	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"129542"	219.174376	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"570196"	328.257926	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1050667"	110.090826	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"218573"	146.452009333333	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"658249"	219.174376	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1176985"	73.7296426666667	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"437341"	454.368023	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"799429"	672.535123	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1694299"	236.200923	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"341117"	227.6876495	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"735723"	336.7711995	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1484093"	118.6040995	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"403866"	459.323418	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"763766"	677.490518	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1611865"	241.156318	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"321903"	230.165347	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"718696"	339.248897	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1472880"	121.081797	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1062115"	81.0569566666667	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1270355"	251.200586	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"390753"	475.297358	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"747009"	693.464458	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1540676"	257.130258	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"310614"	238.152317	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"699755"	347.235867	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1453576"	129.068767	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"247282"	478.368026	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1224009"	260.200926	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1208375"	130.604101	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"203436"	481.30536	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"643482"	699.47246	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1143338"	263.13826	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"183469"	241.156318	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"619752"	350.239868	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1121071"	132.072768	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1410429"	88.3842706666667	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1438899"	265.179846	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"226409"	246.18934	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1515563"	279.23189	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"418533"	249.143288	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"780988"	358.226838	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1679513"	140.059738	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"263111"	500.349968	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1238743"	282.182868	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1725075"	282.206393	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1190428"	95.7115846666667	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1662507"	287.161788	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"171556"	513.25324	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"611968"	731.42034	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1098302"	295.08614	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"156699"	257.130258	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"595773"	366.213808	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1081984"	148.046708	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1100285"	297.100692	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1337361"	297.188307	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1009174"	301.227476	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1524868"	302.221108	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"990829"	151.117376	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1589714"	303.135728	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1414277"	333.167238	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1147231"	171.630651	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1710158"	350.193785	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1634874"	355.14918	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1571616"	371.12312	"C17954"	"Albaflavenone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"806360"	220.1827	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M"	0
"977704"	201.16431	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"69226"	145.781190666667	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"514257"	219.175424	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"886594"	72.3869573333333	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"11729"	219.175424	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"446915"	329.266774	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"830185"	109.084074	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"90176"	439.358124	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"533506"	659.540824	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"908629"	219.175424	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"59723"	456.384671	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"501719"	676.567371	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"877088"	236.201971	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"42802"	461.340066	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"485278"	681.522766	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"863079"	241.157366	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1628608"	241.157366	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"104041"	237.163763	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"539227"	347.255113	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"937117"	127.072413	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"280048"	475.334802	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"667010"	695.517502	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1284884"	255.152102	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"26346"	477.314006	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"463718"	697.496706	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"844802"	257.131306	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1562819"	257.131306	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"944139"	265.180894	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"371105"	485.363601	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"350614"	499.379251	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1497257"	279.196551	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"964798"	287.162851	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"115894"	255.152102	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"553268"	365.243452	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1030819"	145.060752	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1256234"	299.101585	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1317228"	301.157572	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1331443"	323.139529	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"920312"	333.168286	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1300300"	369.144964	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1378459"	185.170024	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1389395"	203.18	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"296736"	441.372676	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"681505"	661.555376	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1357855"	221.189976	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"129652"	221.189976	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"570306"	331.281326	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1050048"	111.098626	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"218562"	147.795742666667	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"657751"	221.189976	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1177220"	74.4015093333333	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"439276"	458.399223	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"800755"	678.581923	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1694773"	238.216523	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"341226"	229.7032495	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"736926"	339.7945995	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1483111"	119.6118995	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"403976"	463.354618	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"764969"	683.537318	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1613068"	243.171918	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"327116"	232.180947	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"719535"	342.272297	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1472990"	122.089597	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1062225"	81.7288233333333	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1271194"	253.216186	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"390863"	479.328558	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"748212"	699.511258	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1543703"	259.145858	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"311088"	240.167917	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"703878"	350.259267	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1460250"	130.076567	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"247756"	482.399226	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1223029"	262.216526	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1206540"	131.611901	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"202327"	485.33656	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"642985"	705.51926	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1141383"	265.15386	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"181394"	243.171918	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"619863"	353.263268	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1123368"	133.080568	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1402519"	89.0561373333333	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1434636"	267.195446	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"222146"	248.20494	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1513490"	281.24749	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"416457"	251.158888	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"781462"	361.250238	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1678892"	141.067538	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"262857"	504.381168	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1237390"	284.198468	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1725549"	284.221993	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1190538"	96.3834513333333	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1661524"	289.177388	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"169478"	517.28444	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"604664"	737.46714	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1096831"	297.10174	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"156326"	259.145858	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"595394"	369.237208	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1083555"	149.054508	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1101207"	299.116292	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1336742"	299.203907	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1008554"	303.243076	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1529598"	304.236708	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"991668"	152.125176	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1588731"	305.151328	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1417306"	335.182838	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1149782"	172.638451	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1703707"	352.209385	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1641545"	357.16478	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1571302"	373.13872	"C17955"	"(5R)-Albaflavenol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"806470"	318.2195	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M"	0
"983282"	299.20111	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"66057"	211.139057333333	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"509991"	317.212224	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"886704"	105.065890666667	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"12932"	317.212224	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"449213"	476.321974	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"830295"	158.102474	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"90285"	635.431724	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"533250"	953.651224	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"908739"	317.212224	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"56553"	652.458271	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"502315"	970.677771	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"879512"	334.238771	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"46971"	657.413666	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"486239"	975.633166	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"862461"	339.194166	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1628718"	339.194166	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"101965"	335.200563	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"539337"	494.310313	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"938320"	176.090813	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"280158"	671.408402	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"670400"	989.627902	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1283901"	353.188902	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"27549"	673.387606	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"462735"	991.607106	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"844911"	355.168106	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1565117"	355.168106	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"944979"	363.217694	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"372309"	681.437201	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"352911"	695.452851	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1499919"	377.233351	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"963815"	385.199651	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"117097"	353.188902	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"558846"	512.298652	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1026552"	194.079152	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1256708"	397.138385	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1313327"	399.194372	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1329365"	421.176329	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"919328"	431.205086	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1294943"	467.181764	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1378570"	283.206824	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1394973"	301.2168	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"294660"	637.446276	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"678697"	955.665776	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1354319"	319.226776	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"129762"	319.226776	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"570415"	478.336526	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1049429"	160.117026	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"216962"	213.153609333333	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"656889"	319.226776	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1176841"	107.080442666667	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"438655"	654.472823	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"799649"	972.692323	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1694154"	336.253323	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"340243"	327.7400495	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"732665"	486.8497995	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1486500"	168.6302995	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"404086"	659.428218	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"763987"	977.647718	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1614273"	341.208718	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"328197"	330.217747	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"720009"	489.327497	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1474193"	171.107997	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1060512"	114.407756666667	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1261096"	351.252986	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"382951"	675.402158	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"742851"	993.621658	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1543813"	357.182658	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"308646"	338.204717	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"703256"	497.314467	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1460722"	179.094967	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"248958"	678.472826	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1225321"	360.253326	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1205556"	180.630301	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"199521"	681.41016	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"642727"	999.62966	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1141493"	363.19066	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"182596"	341.208718	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"619973"	500.318468	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1124572"	182.098968	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1405909"	121.735070666667	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1438026"	365.232246	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"224443"	346.24174	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1513600"	379.28429	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"422034"	349.195688	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"781936"	508.305438	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1679365"	190.085938	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"266249"	700.454768	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1238963"	382.235268	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1724200"	382.258793	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1190648"	129.062384666667	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1659448"	387.214188	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"166308"	713.35804	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"608055"	1031.57754	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1094755"	395.13854	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"155704"	357.182658	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"594411"	516.292408	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1082204"	198.072908	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1104478"	397.153092	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1337945"	397.240707	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1012675"	401.279876	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1534081"	402.273508	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"995061"	201.143576	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1588841"	403.188128	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1416323"	433.219638	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1159733"	221.656851	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1710378"	450.246185	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1641655"	455.20158	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1571470"	471.17552	"C17956"	"Grandifloric acid"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"808767"	360.0845	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M"	0
"980112"	341.06611	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"66167"	239.049057333333	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"510101"	359.077224	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"890094"	119.020890666667	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"10855"	359.077224	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"450416"	539.119474	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"828218"	179.034974	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"89302"	719.161724	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"528862"	1079.246224	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"907756"	359.077224	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"56663"	736.188271	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"502629"	1096.272771	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"875122"	376.103771	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"46880"	741.143666	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"484768"	1101.228166	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"863868"	381.059166	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1627733"	381.059166	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"103167"	377.065563	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"546008"	557.107813	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"938430"	197.023313	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"279174"	755.138402	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"667228"	1115.222902	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1287660"	395.053902	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"29848"	757.117606	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"463938"	1117.202106	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"843928"	397.033106	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1565227"	397.033106	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"945089"	405.082694	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"373512"	765.167201	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"354114"	779.182851	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1500029"	419.098351	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"963925"	427.064651	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"117207"	395.053902	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"553123"	575.096152	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1024472"	215.011652	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1256089"	439.003385	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1314168"	441.059372	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1332393"	463.041329	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"923811"	473.070086	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1301614"	509.046764	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1379773"	325.071824	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1397269"	343.0818	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"295863"	721.176276	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"679171"	1081.260776	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1355889"	361.091776	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"129872"	361.091776	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"568703"	541.134026	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1048810"	181.049526	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"215979"	241.063609333333	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"657727"	361.091776	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1176222"	121.035442666667	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"438765"	738.202823	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"798665"	1098.287323	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1693171"	378.118323	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"341449"	369.6050495	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"734962"	549.6472995	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1486610"	189.5627995	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"404924"	743.158218	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"766283"	1103.242718	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1615476"	383.073718	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"326605"	372.082747	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"720119"	552.124997	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1473938"	192.040497	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1063902"	128.362756666667	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1263393"	393.117986	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"385247"	759.132158	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"749522"	1119.216658	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1543194"	399.047658	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"308756"	380.069717	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"703366"	560.111967	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1461265"	200.027467	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"249068"	762.202826	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1225434"	402.118326	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1208223"	201.562801	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"203883"	765.14016	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"642472"	1125.22466	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1143791"	405.05566	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"183799"	383.073718	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"620083"	563.115968	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1125775"	203.031468	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1404925"	135.690070666667	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1439229"	407.097246	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"227831"	388.10674	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1513710"	421.14929	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"422144"	391.060688	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"782046"	571.102938	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1678380"	211.018438	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"265753"	784.184768	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1239431"	424.100268	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1726501"	424.123793	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1191490"	143.017384666667	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1663569"	429.079188	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"167512"	797.08804	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"608165"	1157.17254	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1098145"	437.00354	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"156181"	399.047658	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"595614"	579.089908	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1081220"	219.005408	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1104590"	439.018092	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1339150"	439.105707	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1011692"	443.144876	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1533098"	444.138508	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"992253"	222.076076	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1588587"	445.053128	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1422994"	475.084638	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1162031"	242.589351	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1709395"	492.111185	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1641765"	497.06658	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1571618"	513.04052	"C17957"	"Irigenin"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"801948"	386.1002	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M"	0
"980222"	367.08181	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-H2O-H"	-19.01839
"66277"	256.392857333333	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M-3H"	-3.021828
"510211"	385.092924	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M-3H"	-3.021828
"890203"	127.692790666667	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-3H"	-3.021828
"12058"	385.092924	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M-2H"	-2.014552
"450526"	578.143024	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M-2H"	-2.014552
"826141"	192.042824	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-2H"	-2.014552
"89412"	771.193124	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M-H"	-1.007276
"527879"	1157.293324	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M-H"	-1.007276
"907866"	385.092924	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-H"	-1.007276
"56773"	788.219671	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M-2H+NH4"	16.019271
"501681"	1174.319871	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M-2H+NH4"	16.019271
"879406"	402.119471	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-2H+NH4"	16.019271
"46702"	793.175066	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M-2H+Na"	20.974666
"484515"	1179.275266	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M-2H+Na"	20.974666
"861223"	407.074866	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-2H+Na"	20.974666
"1622375"	407.074866	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Na-2H"	20.974666
"103277"	403.081263	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M-H+Cl"	33.962126
"543931"	596.131363	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M-H+Cl"	33.962126
"935260"	210.031163	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-H+Cl"	33.962126
"279284"	807.169802	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+Cl"	34.969402
"666245"	1193.270002	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+Cl"	34.969402
"1288383"	421.069602	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Cl"	34.969402
"31419"	809.149006	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M-2H+K"	36.948606
"464048"	1195.249206	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M-2H+K"	36.948606
"842943"	423.048806	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-2H+K"	36.948606
"1566430"	423.048806	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+K-2H"	36.948606
"944835"	431.098394	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-H+HCOOH"	44.998194
"373622"	817.198601	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+HCOOH-H"	44.998201
"352401"	831.214251	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+Hac-H"	59.013851
"1500139"	445.114051	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Hac-H"	59.013851
"966222"	453.080351	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-H+NaCOOH"	66.980151
"118411"	421.069602	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+2Cl"	69.938804
"552869"	614.119702	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+2Cl"	69.938804
"1023490"	228.019502	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2Cl"	69.938804
"1256970"	465.019085	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Br"	78.918885
"1317923"	467.075072	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Cl+HCOOH"	80.974872
"1330678"	489.057029	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Cl+NaCOOH"	102.956829
"922464"	499.085786	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M-H+CF3COOH"	112.985586
"1301725"	535.062464	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Cl+CF3COOH"	148.962264
"1379883"	351.087524	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H-2H2O"	-35.012676
"1394099"	369.0975	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H-H2O"	-17.0027
"294880"	773.207676	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+H"	1.007276
"680010"	1159.307876	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+H"	1.007276
"1354539"	387.107476	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H"	1.007276
"129982"	387.107476	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+2H"	2.014552
"569542"	580.157576	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+2H"	2.014552
"1050013"	194.057376	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2H"	2.014552
"216089"	258.407409333333	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+3H"	3.021828
"657838"	387.107476	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+3H"	3.021828
"1177914"	129.707342666667	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+3H"	3.021828
"437418"	790.234223	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+NH4"	18.033823
"798776"	1176.334423	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+NH4"	18.033823
"1692553"	404.134023	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+NH4"	18.033823
"341559"	395.6207495	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+H+NH4"	19.041099
"734708"	588.6708495	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+H+NH4"	19.041099
"1484533"	202.5706495	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H+NH4"	19.041099
"404305"	795.189618	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+Na"	22.989218
"763114"	1181.289818	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+Na"	22.989218
"1613400"	409.089418	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Na"	22.989218
"326715"	398.098447	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+H+Na"	23.996494
"720229"	591.148547	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+H+Na"	23.996494
"1474048"	205.048347	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H+Na"	23.996494
"1062919"	137.034656666667	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2H+Na"	25.00377
"1264596"	419.133686	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+CH3OH+H"	33.033486
"386450"	811.163558	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+K"	38.963158
"750726"	1197.263758	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+K"	38.963158
"1542939"	425.063358	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+K"	38.963158
"309959"	406.085417	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+H+K"	39.970434
"702382"	599.135517	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+H+K"	39.970434
"1459483"	213.035317	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H+K"	39.970434
"248085"	814.234226	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+ACN+H"	42.033826
"1224929"	428.134026	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+ACN+H"	42.033826
"1209061"	214.570651	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+ACN+2H"	43.041102
"199740"	817.17156	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+2Na-H"	44.97116
"641488"	1203.27176	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+2Na-H"	44.97116
"1142807"	431.07136	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2Na-H"	44.97116
"180630"	409.089418	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+2Na"	45.978436
"620193"	602.139518	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+2Na"	45.978436
"1122605"	216.039318	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2Na"	45.978436
"1403942"	144.361970666667	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H+2Na"	46.985712
"1439339"	433.112946	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H+HCOOH"	47.012746
"227942"	414.12244	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+3H2O+2H"	56.04448
"1519286"	447.16499	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+IsoProp+H"	61.06479
"422254"	417.076388	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+Na+K"	61.952376
"783249"	610.126488	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+Na+K"	61.952376
"1680677"	224.026288	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Na+K"	61.952376
"266104"	836.216168	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+ACN+Na"	64.015768
"1239177"	450.115968	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+ACN+Na"	64.015768
"1727948"	450.139493	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+NH4+HCOOH"	64.039293
"1192328"	151.689284666667	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+3Na"	68.967654
"1663679"	455.094888	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Na+HCOOH"	68.994688
"169809"	849.11944	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+2K-H"	76.91904
"603902"	1235.21964	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+2K-H"	76.91904
"1094975"	463.01924	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2K-H"	76.91904
"156045"	425.063358	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"2M+2K"	77.926316
"595482"	618.113458	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"3M+2K"	77.926316
"1081330"	232.013258	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2K"	77.926316
"1103607"	465.033792	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2K+H"	78.933592
"1339261"	465.121407	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+DMSO+H"	79.021207
"1012895"	469.160576	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2ACN+H"	83.060376
"1533208"	470.154208	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+IsoProp+Na+H"	84.054008
"992363"	235.083926	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+2ACN+2H"	84.067652
"1588697"	471.068828	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+K+HCOOH"	84.968628
"1423104"	501.100338	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+H+CF3COOH"	115.000138
"1162020"	255.597201	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+3ACN+2H"	125.094202
"1709505"	518.126885	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+NH4+CF3COOH"	132.026685
"1638595"	523.08228	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+Na+CF3COOH"	136.98208
"1571688"	539.05622	"C17958"	"Irisflorentin"	"C20H18O8"	"386.1002"	"M+K+CF3COOH"	152.95602
"801436"	1234.7426	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M"	0
"980332"	1215.72421	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-H2O-H"	-19.01839
"69667"	822.154457333333	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M-3H"	-3.021828
"513601"	1233.735324	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M-3H"	-3.021828
"890313"	410.573590666667	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-3H"	-3.021828
"9982"	1233.735324	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M-2H"	-2.014552
"450636"	1851.106624	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M-2H"	-2.014552
"826251"	616.364024	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-2H"	-2.014552
"89522"	2468.477924	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M-H"	-1.007276
"527989"	3703.220524	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M-H"	-1.007276
"907976"	1233.735324	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-H"	-1.007276
"56883"	2485.504471	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M-2H+NH4"	16.019271
"500697"	3720.247071	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M-2H+NH4"	16.019271
"876677"	1250.761871	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-2H+NH4"	16.019271
"41053"	2490.459866	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M-2H+Na"	20.974666
"484989"	3725.202466	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M-2H+Na"	20.974666
"860239"	1255.717266	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-2H+Na"	20.974666
"1620299"	1255.717266	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Na-2H"	20.974666
"100107"	1251.723663	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M-H+Cl"	33.962126
"540761"	1869.094963	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M-H+Cl"	33.962126
"933183"	634.352363	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-H+Cl"	33.962126
"278301"	2504.454602	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+Cl"	34.969402
"660888"	3739.197202	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+Cl"	34.969402
"1286417"	1269.712002	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Cl"	34.969402
"30800"	2506.433806	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M-2H+K"	36.948606
"465251"	3741.176406	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M-2H+K"	36.948606
"843053"	1271.691206	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-2H+K"	36.948606
"1567634"	1271.691206	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+K-2H"	36.948606
"944945"	1279.740794	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-H+HCOOH"	44.998194
"373732"	2514.483401	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+HCOOH-H"	44.998201
"354334"	2528.499051	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+Hac-H"	59.013851
"1499885"	1293.756451	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Hac-H"	59.013851
"964145"	1301.722751	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-H+NaCOOH"	66.980151
"115241"	1269.712002	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+2Cl"	69.938804
"552615"	1887.083302	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+2Cl"	69.938804
"1022140"	652.340702	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2Cl"	69.938804
"1256876"	1313.661485	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Br"	78.918885
"1317305"	1315.717472	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Cl+HCOOH"	80.974872
"1331518"	1337.699429	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Cl+NaCOOH"	102.956829
"922938"	1347.728186	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M-H+CF3COOH"	112.985586
"1301105"	1383.704864	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Cl+CF3COOH"	148.962264
"1377806"	1199.729924	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H-2H2O"	-35.012676
"1394209"	1217.7399	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H-H2O"	-17.0027
"294990"	2470.492476	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+H"	1.007276
"680850"	3705.235076	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+H"	1.007276
"1353921"	1235.749876	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H"	1.007276
"130092"	1235.749876	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+2H"	2.014552
"569650"	1853.121176	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+2H"	2.014552
"1040637"	618.378576	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2H"	2.014552
"210725"	824.169009333333	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+3H"	3.021828
"648463"	1235.749876	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+3H"	3.021828
"1176807"	412.588142666667	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+3H"	3.021828
"437892"	2487.519023	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+NH4"	18.033823
"798521"	3722.261623	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+NH4"	18.033823
"1692663"	1252.776423	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+NH4"	18.033823
"338389"	1244.2631495	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+H+NH4"	19.041099
"736640"	1861.6344495	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+H+NH4"	19.041099
"1486829"	626.8918495	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H+NH4"	19.041099
"403321"	2492.474418	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+Na"	22.989218
"764318"	3727.217018	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+Na"	22.989218
"1615697"	1257.731818	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Na"	22.989218
"324639"	1246.740847	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+H+Na"	23.996494
"718153"	1864.112147	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+H+Na"	23.996494
"1471972"	629.369547	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H+Na"	23.996494
"1063029"	419.915456666667	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2H+Na"	25.00377
"1263613"	1267.776086	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+CH3OH+H"	33.033486
"386560"	2508.448358	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+K"	38.963158
"751931"	3743.190958	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+K"	38.963158
"1542319"	1273.705758	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+K"	38.963158
"310069"	1254.727817	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+H+K"	39.970434
"702492"	1872.099117	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+H+K"	39.970434
"1459229"	637.356517	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H+K"	39.970434
"248924"	2511.519026	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+ACN+H"	42.033826
"1223823"	1276.776426	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+ACN+H"	42.033826
"1209751"	638.891851	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+ACN+2H"	43.041102
"199850"	2514.45636	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+2Na-H"	44.97116
"641234"	3749.19896	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+2Na-H"	44.97116
"1140731"	1279.71376	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2Na-H"	44.97116
"180740"	1257.731818	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+2Na"	45.978436
"620303"	1875.103118	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+2Na"	45.978436
"1122715"	640.360518	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2Na"	45.978436
"1402959"	427.242770666667	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H+2Na"	46.985712
"1438356"	1281.755346	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H+HCOOH"	47.012746
"224770"	1262.76484	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+3H2O+2H"	56.04448
"1519396"	1295.80739	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+IsoProp+H"	61.06479
"417988"	1265.718788	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+Na+K"	61.952376
"780077"	1883.090088	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+Na+K"	61.952376
"1680787"	648.347488	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Na+K"	61.952376
"266903"	2533.500968	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+ACN+Na"	64.015768
"1239650"	1298.758368	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+ACN+Na"	64.015768
"1727774"	1298.781893	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+NH4+HCOOH"	64.039293
"1190979"	434.570084666667	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+3Na"	68.967654
"1656498"	1303.737288	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Na+HCOOH"	68.994688
"161172"	2546.40424	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+2K-H"	76.91904
"605105"	3781.14684	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+2K-H"	76.91904
"1097271"	1311.66164	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2K-H"	76.91904
"154087"	1273.705758	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"2M+2K"	77.926316
"591460"	1891.077058	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"3M+2K"	77.926316
"1075973"	656.334458	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2K"	77.926316
"1103352"	1313.676192	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2K+H"	78.933592
"1338277"	1313.763807	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+DMSO+H"	79.021207
"1013005"	1317.802976	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2ACN+H"	83.060376
"1532225"	1318.796608	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+IsoProp+Na+H"	84.054008
"992108"	659.405126	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+2ACN+2H"	84.067652
"1588807"	1319.711228	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+K+HCOOH"	84.968628
"1423214"	1349.742738	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+H+CF3COOH"	115.000138
"1161887"	679.918401	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+3ACN+2H"	125.094202
"1709615"	1366.769285	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+NH4+CF3COOH"	132.026685
"1638705"	1371.72468	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+Na+CF3COOH"	136.98208
"1572162"	1387.69862	"C17959"	"alpha-L-Rhamnosyl-(1-3)-alpha-D-galactosyl-diphosphoundecaprenol"	"C67H112O16P2"	"1234.7426"	"M+K+CF3COOH"	152.95602
"803629"	464.2148	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M"	0
"986641"	445.19641	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-H2O-H"	-19.01839
"76341"	308.469257333333	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M-3H"	-3.021828
"514805"	463.207524	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M-3H"	-3.021828
"890424"	153.730990666667	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-3H"	-3.021828
"13737"	463.207524	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M-2H"	-2.014552
"449653"	695.314924	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M-2H"	-2.014552
"831222"	231.100124	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-2H"	-2.014552
"91820"	927.422324	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M-H"	-1.007276
"530286"	1391.637124	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M-H"	-1.007276
"909062"	463.207524	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-H"	-1.007276
"56993"	944.448871	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M-2H+NH4"	16.019271
"498741"	1408.663671	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M-2H+NH4"	16.019271
"877151"	480.234071	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-2H+NH4"	16.019271
"41164"	949.404266	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M-2H+Na"	20.974666
"484372"	1413.619066	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M-2H+Na"	20.974666
"860714"	485.189466	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-2H+Na"	20.974666
"1625875"	485.189466	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Na-2H"	20.974666
"100218"	481.195863	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M-H+Cl"	33.962126
"539778"	713.303263	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M-H+Cl"	33.962126
"933293"	249.088463	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-H+Cl"	33.962126
"272944"	963.399002	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+Cl"	34.969402
"664278"	1427.613802	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+Cl"	34.969402
"1283244"	499.184202	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Cl"	34.969402
"30545"	965.378206	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M-2H+K"	36.948606
"467184"	1429.593006	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M-2H+K"	36.948606
"845351"	501.163406	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-2H+K"	36.948606
"1567744"	501.163406	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+K-2H"	36.948606
"950158"	509.212994	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-H+HCOOH"	44.998194
"373844"	973.427801	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+HCOOH-H"	44.998201
"357724"	987.443451	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+Hac-H"	59.013851
"1503276"	523.228651	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Hac-H"	59.013851
"964255"	531.194951	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-H+NaCOOH"	66.980151
"113164"	499.184202	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+2Cl"	69.938804
"552725"	731.291602	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+2Cl"	69.938804
"1022617"	267.076802	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2Cl"	69.938804
"1241782"	543.133685	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Br"	78.918885
"1314490"	545.189672	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Cl+HCOOH"	80.974872
"1333450"	567.171629	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Cl+NaCOOH"	102.956829
"921952"	577.200386	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M-H+CF3COOH"	112.985586
"1295378"	613.177064	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Cl+CF3COOH"	148.962264
"1374632"	429.202124	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H-2H2O"	-35.012676
"1391038"	447.2121	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H-H2O"	-17.0027
"284646"	929.436876	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+H"	1.007276
"678044"	1393.651676	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+H"	1.007276
"1355124"	465.222076	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H"	1.007276
"130202"	465.222076	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+2H"	2.014552
"571947"	697.329476	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+2H"	2.014552
"1041840"	233.114676	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2H"	2.014552
"210834"	310.483809333333	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+3H"	3.021828
"648208"	465.222076	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+3H"	3.021828
"1164510"	155.745542666667	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+3H"	3.021828
"439095"	946.463423	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+NH4"	18.033823
"799359"	1410.678223	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+NH4"	18.033823
"1693866"	482.248623	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+NH4"	18.033823
"344572"	473.7353495	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+H+NH4"	19.041099
"737114"	705.8427495	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+H+NH4"	19.041099
"1485846"	241.6279495	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H+NH4"	19.041099
"402337"	951.418818	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+Na"	22.989218
"767708"	1415.633618	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+Na"	22.989218
"1614714"	487.204018	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Na"	22.989218
"324750"	476.213047	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+H+Na"	23.996494
"718265"	708.320447	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+H+Na"	23.996494
"1475362"	244.105647	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H+Na"	23.996494
"1065327"	163.072856666667	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2H+Na"	25.00377
"1265911"	497.248286	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+CH3OH+H"	33.033486
"389588"	967.392758	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+K"	38.963158
"753136"	1431.607558	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+K"	38.963158
"1544616"	503.177958	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+K"	38.963158
"309815"	484.200017	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+H+K"	39.970434
"702602"	716.307417	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+H+K"	39.970434
"1459339"	252.092617	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H+K"	39.970434
"250374"	970.463426	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+ACN+H"	42.033826
"1224791"	506.248626	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+ACN+H"	42.033826
"1208187"	253.627951	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+ACN+2H"	43.041102
"199960"	973.40076	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+2Na-H"	44.97116
"641343"	1437.61556	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+2Na-H"	44.97116
"1143026"	509.18596	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2Na-H"	44.97116
"180850"	487.204018	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+2Na"	45.978436
"621139"	719.311418	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+2Na"	45.978436
"1120637"	255.096618	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2Na"	45.978436
"1404160"	170.400170666667	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H+2Na"	46.985712
"1435183"	511.227546	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H+HCOOH"	47.012746
"224877"	492.23704	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+3H2O+2H"	56.04448
"1518413"	525.27959	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+IsoProp+H"	61.06479
"418098"	495.190988	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+Na+K"	61.952376
"780187"	727.298388	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+Na+K"	61.952376
"1679074"	263.083588	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Na+K"	61.952376
"266977"	992.445368	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+ACN+Na"	64.015768
"1241181"	528.230568	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+ACN+Na"	64.015768
"1727191"	528.254093	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+NH4+HCOOH"	64.039293
"1188903"	177.727484666667	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+3Na"	68.967654
"1654421"	533.209488	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Na+HCOOH"	68.994688
"162375"	1005.34864	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+2K-H"	76.91904
"605215"	1469.56344	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+2K-H"	76.91904
"1099204"	541.13384	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2K-H"	76.91904
"154197"	503.177958	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"2M+2K"	77.926316
"594850"	735.285358	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"3M+2K"	77.926316
"1079363"	271.070558	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2K"	77.926316
"1102734"	543.148392	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2K+H"	78.933592
"1339118"	543.236007	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+DMSO+H"	79.021207
"1010929"	547.275176	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2ACN+H"	83.060376
"1534525"	548.268808	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+IsoProp+Na+H"	84.054008
"993315"	274.141226	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+2ACN+2H"	84.067652
"1588913"	549.183428	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+K+HCOOH"	84.968628
"1420044"	579.214938	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+H+CF3COOH"	115.000138
"1159081"	294.654501	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+3ACN+2H"	125.094202
"1704258"	596.241485	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+NH4+CF3COOH"	132.026685
"1635535"	601.19688	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+Na+CF3COOH"	136.98208
"1571908"	617.17082	"C17960"	"Rhizocticin C"	"C17H33N6O7P"	"464.2148"	"M+K+CF3COOH"	152.95602
"810300"	464.2148	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M"	0
"980552"	445.19641	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-H2O-H"	-19.01839
"70980"	308.469257333333	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M-3H"	-3.021828
"518375"	463.207524	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M-3H"	-3.021828
"891629"	153.730990666667	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-3H"	-3.021828
"14213"	463.207524	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M-2H"	-2.014552
"454137"	695.314924	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M-2H"	-2.014552
"830481"	231.100124	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-2H"	-2.014552
"92901"	927.422324	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M-H"	-1.007276
"531489"	1391.637124	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M-H"	-1.007276
"910636"	463.207524	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-H"	-1.007276
"62537"	944.448871	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M-2H+NH4"	16.019271
"502016"	1408.663671	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M-2H+NH4"	16.019271
"879578"	480.234071	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-2H+NH4"	16.019271
"45283"	949.404266	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M-2H+Na"	20.974666
"486388"	1413.619066	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M-2H+Na"	20.974666
"857546"	485.189466	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-2H+Na"	20.974666
"1622707"	485.189466	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Na-2H"	20.974666
"98142"	481.195863	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M-H+Cl"	33.962126
"537704"	713.303263	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M-H+Cl"	33.962126
"936688"	249.088463	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-H+Cl"	33.962126
"277433"	963.399002	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+Cl"	34.969402
"672044"	1427.613802	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+Cl"	34.969402
"1285541"	499.184202	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Cl"	34.969402
"28097"	965.378206	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M-2H+K"	36.948606
"467659"	1429.593006	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M-2H+K"	36.948606
"844365"	501.163406	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-2H+K"	36.948606
"1567854"	501.163406	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+K-2H"	36.948606
"953549"	509.212994	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-H+HCOOH"	44.998194
"375776"	973.427801	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+HCOOH-H"	44.998201
"358564"	987.443451	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+Hac-H"	59.013851
"1507523"	523.228651	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Hac-H"	59.013851
"973116"	531.194951	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-H+NaCOOH"	66.980151
"120928"	499.184202	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+2Cl"	69.938804
"556115"	731.291602	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+2Cl"	69.938804
"1022361"	267.076802	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2Cl"	69.938804
"1244493"	543.133685	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Br"	78.918885
"1316434"	545.189672	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Cl+HCOOH"	80.974872
"1329919"	567.171629	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Cl+NaCOOH"	102.956829
"923526"	577.200386	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M-H+CF3COOH"	112.985586
"1299502"	613.177064	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Cl+CF3COOH"	148.962264
"1381797"	429.202124	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H-2H2O"	-35.012676
"1393337"	447.2121	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H-H2O"	-17.0027
"296669"	929.436876	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+H"	1.007276
"684351"	1393.651676	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+H"	1.007276
"1356329"	465.222076	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H"	1.007276
"135781"	465.222076	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+2H"	2.014552
"577528"	697.329476	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+2H"	2.014552
"1043048"	233.114676	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2H"	2.014552
"210947"	310.483809333333	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+3H"	3.021828
"658891"	465.222076	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+3H"	3.021828
"1177990"	155.745542666667	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+3H"	3.021828
"438471"	946.463423	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+NH4"	18.033823
"799469"	1410.678223	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+NH4"	18.033823
"1696163"	482.248623	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+NH4"	18.033823
"345493"	473.7353495	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+H+NH4"	19.041099
"738318"	705.8427495	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+H+NH4"	19.041099
"1482675"	241.6279495	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H+NH4"	19.041099
"404636"	951.418818	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+Na"	22.989218
"765630"	1415.633618	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+Na"	22.989218
"1611543"	487.204018	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Na"	22.989218
"324859"	476.213047	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+H+Na"	23.996494
"720558"	708.320447	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+H+Na"	23.996494
"1468909"	244.105647	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H+Na"	23.996494
"1062156"	163.072856666667	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2H+Na"	25.00377
"1268208"	497.248286	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+CH3OH+H"	33.033486
"385689"	967.392758	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+K"	38.963158
"747777"	1431.607558	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+K"	38.963158
"1552381"	503.177958	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+K"	38.963158
"311379"	484.200017	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+H+K"	39.970434
"699431"	716.307417	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+H+K"	39.970434
"1456532"	252.092617	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H+K"	39.970434
"250849"	970.463426	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+ACN+H"	42.033826
"1225020"	506.248626	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+ACN+H"	42.033826
"1205018"	253.627951	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+ACN+2H"	43.041102
"200071"	973.40076	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+2Na-H"	44.97116
"640726"	1437.61556	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+2Na-H"	44.97116
"1142044"	509.18596	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2Na-H"	44.97116
"182057"	487.204018	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+2Na"	45.978436
"621980"	719.311418	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+2Na"	45.978436
"1121840"	255.096618	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2Na"	45.978436
"1405365"	170.400170666667	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H+2Na"	46.985712
"1438937"	511.227546	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H+HCOOH"	47.012746
"223895"	492.23704	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+3H2O+2H"	56.04448
"1513054"	525.27959	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+IsoProp+H"	61.06479
"418208"	495.190988	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+Na+K"	61.952376
"781027"	727.298388	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+Na+K"	61.952376
"1678091"	263.083588	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Na+K"	61.952376
"264248"	992.445368	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+ACN+Na"	64.015768
"1240846"	528.230568	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+ACN+Na"	64.015768
"1723293"	528.254093	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+NH4+HCOOH"	64.039293
"1190107"	177.727484666667	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+3Na"	68.967654
"1656718"	533.209488	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Na+HCOOH"	68.994688
"167953"	1005.34864	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+2K-H"	76.91904
"610792"	1469.56344	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+2K-H"	76.91904
"1099192"	541.13384	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2K-H"	76.91904
"156865"	503.177958	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"2M+2K"	77.926316
"591680"	735.285358	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"3M+2K"	77.926316
"1082753"	271.070558	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2K"	77.926316
"1108313"	543.148392	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2K+H"	78.933592
"1350531"	543.236007	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+DMSO+H"	79.021207
"1018573"	547.275176	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2ACN+H"	83.060376
"1530260"	548.268808	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+IsoProp+Na+H"	84.054008
"998893"	274.141226	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+2ACN+2H"	84.067652
"1592304"	549.183428	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+K+HCOOH"	84.968628
"1419054"	579.214938	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+H+CF3COOH"	115.000138
"1157003"	294.654501	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+3ACN+2H"	125.094202
"1707648"	596.241485	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+NH4+CF3COOH"	132.026685
"1638925"	601.19688	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+Na+CF3COOH"	136.98208
"1572746"	617.17082	"C17961"	"Rhizocticin D"	"C17H33N6O7P"	"464.2148"	"M+K+CF3COOH"	152.95602
"810410"	167.0347	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M"	0
"983942"	148.01631	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-H2O-H"	-19.01839
"67810"	110.349190666667	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M-3H"	-3.021828
"512837"	166.027424	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M-3H"	-3.021828
"890644"	54.6709573333333	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-3H"	-3.021828
"13593"	166.027424	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M-2H"	-2.014552
"453883"	249.544774	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M-2H"	-2.014552
"827674"	82.510074	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-2H"	-2.014552
"90945"	333.062124	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M-H"	-1.007276
"528319"	500.096824	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M-H"	-1.007276
"911270"	166.027424	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-H"	-1.007276
"62320"	350.088671	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M-2H+NH4"	16.019271
"502613"	517.123371	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M-2H+NH4"	16.019271
"877493"	183.053971	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-2H+NH4"	16.019271
"44663"	355.044066	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M-2H+Na"	20.974666
"484227"	522.078766	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M-2H+Na"	20.974666
"857656"	188.009366	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-2H+Na"	20.974666
"1625003"	188.009366	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Na-2H"	20.974666
"96429"	184.015763	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M-H+Cl"	33.962126
"537812"	267.533113	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M-H+Cl"	33.962126
"931330"	100.498413	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-H+Cl"	33.962126
"276450"	369.038802	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+Cl"	34.969402
"671790"	536.073502	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+Cl"	34.969402
"1285651"	202.004102	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Cl"	34.969402
"28207"	371.018006	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M-2H+K"	36.948606
"469957"	538.052706	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M-2H+K"	36.948606
"847391"	203.983306	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-2H+K"	36.948606
"1569786"	203.983306	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+K-2H"	36.948606
"953659"	212.032894	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-H+HCOOH"	44.998194
"375157"	379.067601	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+HCOOH-H"	44.998201
"359768"	393.083251	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+Hac-H"	59.013851
"1507998"	226.048551	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Hac-H"	59.013851
"973590"	234.014851	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-H+NaCOOH"	66.980151
"118851"	202.004102	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+2Cl"	69.938804
"552214"	285.521452	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+2Cl"	69.938804
"1021984"	118.486752	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2Cl"	69.938804
"1243509"	245.953585	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Br"	78.918885
"1314720"	248.009572	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Cl+HCOOH"	80.974872
"1331485"	269.991529	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Cl+NaCOOH"	102.956829
"923272"	280.020286	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M-H+CF3COOH"	112.985586
"1298884"	315.996964	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Cl+CF3COOH"	148.962264
"1380691"	132.022024	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H-2H2O"	-35.012676
"1394176"	150.032	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H-H2O"	-17.0027
"295687"	335.076676	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+H"	1.007276
"680451"	502.111376	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+H"	1.007276
"1357532"	168.041976	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H"	1.007276
"137351"	168.041976	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+2H"	2.014552
"574358"	251.559326	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+2H"	2.014552
"1043158"	84.524626	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2H"	2.014552
"211057"	112.363742666667	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+3H"	3.021828
"652803"	168.041976	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+3H"	3.021828
"1173846"	56.6855093333333	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+3H"	3.021828
"438214"	352.103223	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+NH4"	18.033823
"800310"	519.137923	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+NH4"	18.033823
"1694815"	185.068523	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+NH4"	18.033823
"341996"	176.5552495	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+H+NH4"	19.041099
"737332"	260.0725995	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+H+NH4"	19.041099
"1483878"	93.0378995	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H+NH4"	19.041099
"404746"	357.058618	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+Na"	22.989218
"767927"	524.093318	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+Na"	22.989218
"1612747"	190.023918	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Na"	22.989218
"324969"	179.032947	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+H+Na"	23.996494
"719574"	262.550297	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+H+Na"	23.996494
"1469020"	95.515597	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H+Na"	23.996494
"1061173"	64.0128233333333	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2H+Na"	25.00377
"1268316"	200.068186	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+CH3OH+H"	33.033486
"391632"	373.032558	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+K"	38.963158
"752990"	540.067258	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+K"	38.963158
"1553218"	205.997858	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+K"	38.963158
"310393"	187.019917	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+H+K"	39.970434
"696261"	270.537267	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+H+K"	39.970434
"1453362"	103.502567	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H+K"	39.970434
"249618"	376.103226	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+ACN+H"	42.033826
"1225004"	209.068526	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+ACN+H"	42.033826
"1208039"	105.037901	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+ACN+2H"	43.041102
"199092"	379.04056	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+2Na-H"	44.97116
"639742"	546.07526	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+2Na-H"	44.97116
"1142154"	212.00586	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2Na-H"	44.97116
"179978"	190.023918	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+2Na"	45.978436
"619539"	273.541268	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+2Na"	45.978436
"1119764"	106.506568	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2Na"	45.978436
"1409485"	71.3401373333333	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H+2Na"	46.985712
"1441599"	214.047446	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H+HCOOH"	47.012746
"222913"	195.05694	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+3H2O+2H"	56.04448
"1513164"	228.09949	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+IsoProp+H"	61.06479
"416131"	198.010888	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+Na+K"	61.952376
"780046"	281.528238	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+Na+K"	61.952376
"1680023"	114.493538	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Na+K"	61.952376
"263264"	398.085168	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+ACN+Na"	64.015768
"1240835"	231.050468	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+ACN+Na"	64.015768
"1727738"	231.073993	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+NH4+HCOOH"	64.039293
"1190218"	78.6674513333333	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+3Na"	68.967654
"1656828"	236.029388	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Na+HCOOH"	68.994688
"168062"	410.98844	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+2K-H"	76.91904
"609809"	578.02314	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+2K-H"	76.91904
"1099302"	243.95374	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2K-H"	76.91904
"156853"	205.997858	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"2M+2K"	77.926316
"591790"	289.515208	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"3M+2K"	77.926316
"1082863"	122.480508	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2K"	77.926316
"1113648"	245.968292	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2K+H"	78.933592
"1350520"	246.055907	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+DMSO+H"	79.021207
"1018804"	250.095076	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2ACN+H"	83.060376
"1531464"	251.088708	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+IsoProp+Na+H"	84.054008
"999003"	125.551176	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+2ACN+2H"	84.067652
"1592414"	252.003328	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+K+HCOOH"	84.968628
"1419165"	282.034838	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+H+CF3COOH"	115.000138
"1157113"	146.064451	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+3ACN+2H"	125.094202
"1704478"	299.061385	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+NH4+CF3COOH"	132.026685
"1639035"	304.01678	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+Na+CF3COOH"	136.98208
"1571763"	319.99072	"C17962"	"Demethylphosphinothricin;(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid"	"C4H10NO4P"	"167.0347"	"M+K+CF3COOH"	152.95602
"809427"	547.2054	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M"	0
"980772"	528.18701	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-H2O-H"	-19.01839
"70107"	363.796324	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M-3H"	-3.021828
"512947"	546.198124	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M-3H"	-3.021828
"894401"	181.394524	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-3H"	-3.021828
"14433"	546.198124	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M-2H"	-2.014552
"453994"	819.800824	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M-2H"	-2.014552
"828878"	272.595424	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-2H"	-2.014552
"90693"	1093.403524	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M-H"	-1.007276
"530982"	1640.608924	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M-H"	-1.007276
"911298"	546.198124	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-H"	-1.007276
"62811"	1110.430071	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M-2H+NH4"	16.019271
"502721"	1657.635471	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M-2H+NH4"	16.019271
"878820"	563.224671	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-2H+NH4"	16.019271
"44046"	1115.385466	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M-2H+Na"	20.974666
"483243"	1662.590866	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M-2H+Na"	20.974666
"859586"	568.180066	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-2H+Na"	20.974666
"1628392"	568.180066	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Na-2H"	20.974666
"104921"	564.186463	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M-H+Cl"	33.962126
"540110"	837.789163	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M-H+Cl"	33.962126
"932531"	290.583763	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-H+Cl"	33.962126
"280569"	1129.380202	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+Cl"	34.969402
"670077"	1676.585602	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+Cl"	34.969402
"1284304"	582.174802	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Cl"	34.969402
"25037"	1131.359406	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M-2H+K"	36.948606
"468607"	1678.564806	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M-2H+K"	36.948606
"846772"	584.154006	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-2H+K"	36.948606
"1569167"	584.154006	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+K-2H"	36.948606
"953769"	592.203594	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-H+HCOOH"	44.998194
"374174"	1139.409001	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+HCOOH-H"	44.998201
"359878"	1153.424651	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+Hac-H"	59.013851
"1508151"	606.219251	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Hac-H"	59.013851
"973579"	614.185551	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-H+NaCOOH"	66.980151
"121148"	582.174802	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+2Cl"	69.938804
"552324"	855.777502	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+2Cl"	69.938804
"1023311"	308.572102	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2Cl"	69.938804
"1242526"	626.124285	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Br"	78.918885
"1317382"	628.180272	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Cl+HCOOH"	80.974872
"1331596"	650.162229	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Cl+NaCOOH"	102.956829
"924475"	660.190986	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M-H+CF3COOH"	112.985586
"1299358"	696.167664	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Cl+CF3COOH"	148.962264
"1381894"	512.192724	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H-2H2O"	-35.012676
"1394286"	530.2027	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H-H2O"	-17.0027
"296525"	1095.418076	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+H"	1.007276
"683477"	1642.623476	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+H"	1.007276
"1358735"	548.212676	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H"	1.007276
"134906"	548.212676	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+2H"	2.014552
"568635"	821.815376	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+2H"	2.014552
"1043631"	274.609976	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2H"	2.014552
"211167"	365.810876	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+3H"	3.021828
"651820"	548.212676	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+3H"	3.021828
"1171769"	183.409076	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+3H"	3.021828
"436500"	1112.444623	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+NH4"	18.033823
"800173"	1659.650023	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+NH4"	18.033823
"1691641"	565.239223	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+NH4"	18.033823
"342106"	556.7259495	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+H+NH4"	19.041099
"733432"	830.3286495	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+H+NH4"	19.041099
"1487999"	283.1232495	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H+NH4"	19.041099
"401576"	1117.400018	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+Na"	22.989218
"763662"	1664.605418	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+Na"	22.989218
"1611035"	570.194618	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Na"	22.989218
"326172"	559.203647	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+H+Na"	23.996494
"719684"	832.806347	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+H+Na"	23.996494
"1472411"	285.600947	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H+Na"	23.996494
"1062378"	190.73639	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2H+Na"	25.00377
"1265147"	580.238886	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+CH3OH+H"	33.033486
"390282"	1133.373958	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+K"	38.963158
"752006"	1680.579358	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+K"	38.963158
"1553696"	586.168558	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+K"	38.963158
"309410"	567.190617	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+H+K"	39.970434
"697464"	840.793317	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+H+K"	39.970434
"1456752"	293.587917	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H+K"	39.970434
"247176"	1136.444626	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+ACN+H"	42.033826
"1224263"	589.239226	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+ACN+H"	42.033826
"1207419"	295.123251	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+ACN+2H"	43.041102
"202117"	1139.38196	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+2Na-H"	44.97116
"639852"	1686.58736	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+2Na-H"	44.97116
"1140078"	592.17656	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2Na-H"	44.97116
"181182"	570.194618	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+2Na"	45.978436
"620742"	843.797318	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+2Na"	45.978436
"1123884"	296.591918	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2Na"	45.978436
"1407774"	198.063704	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H+2Na"	46.985712
"1443534"	594.218146	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H+HCOOH"	47.012746
"224117"	575.22764	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+3H2O+2H"	56.04448
"1514368"	608.27019	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+IsoProp+H"	61.06479
"416241"	578.181588	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+Na+K"	61.952376
"781612"	851.784288	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+Na+K"	61.952376
"1680136"	304.578888	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Na+K"	61.952376
"266291"	1158.426568	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+ACN+Na"	64.015768
"1240093"	611.221168	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+ACN+Na"	64.015768
"1726917"	611.244693	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+NH4+HCOOH"	64.039293
"1190328"	205.391018	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+3Na"	68.967654
"1661312"	616.200088	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Na+HCOOH"	68.994688
"169266"	1171.32984	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+2K-H"	76.91904
"612188"	1718.53524	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+2K-H"	76.91904
"1099575"	624.12444	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2K-H"	76.91904
"156841"	586.168558	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"2M+2K"	77.926316
"595059"	859.771258	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"3M+2K"	77.926316
"1083667"	312.565858	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2K"	77.926316
"1114972"	626.138992	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2K+H"	78.933592
"1350384"	626.226607	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+DMSO+H"	79.021207
"1020496"	630.265776	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2ACN+H"	83.060376
"1530480"	631.259408	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+IsoProp+Na+H"	84.054008
"996926"	315.636526	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+2ACN+2H"	84.067652
"1591428"	632.174028	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+K+HCOOH"	84.968628
"1421462"	662.205538	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+H+CF3COOH"	115.000138
"1157223"	336.149801	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+3ACN+2H"	125.094202
"1701308"	679.232085	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+NH4+CF3COOH"	132.026685
"1639145"	684.18748	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+Na+CF3COOH"	136.98208
"1571874"	700.16142	"C17963"	"Colchicoside"	"C27H33NO11"	"547.2054"	"M+K+CF3COOH"	152.95602
"810630"	194.1055	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M"	0
"980882"	175.08711	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-H2O-H"	-19.01839
"70217"	128.396390666667	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M-3H"	-3.021828
"510870"	193.098224	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M-3H"	-3.021828
"893781"	63.6945573333333	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-3H"	-3.021828
"13085"	193.098224	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M-2H"	-2.014552
"454105"	290.150974	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M-2H"	-2.014552
"830447"	96.045474	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-2H"	-2.014552
"92625"	387.203724	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M-H"	-1.007276
"531456"	581.309224	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M-H"	-1.007276
"910473"	193.098224	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-H"	-1.007276
"62544"	404.230271	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M-2H+NH4"	16.019271
"501249"	598.335771	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M-2H+NH4"	16.019271
"879622"	210.124771	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-2H+NH4"	16.019271
"40511"	409.185666	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M-2H+Na"	20.974666
"481894"	603.291166	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M-2H+Na"	20.974666
"860424"	215.080166	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-2H+Na"	20.974666
"1626315"	215.080166	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Na-2H"	20.974666
"105031"	211.086563	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M-H+Cl"	33.962126
"540220"	308.139313	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M-H+Cl"	33.962126
"930455"	114.033813	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-H+Cl"	33.962126
"280920"	423.180402	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+Cl"	34.969402
"671281"	617.285902	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+Cl"	34.969402
"1286963"	229.074902	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Cl"	34.969402
"29885"	425.159606	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M-2H+K"	36.948606
"465800"	619.265106	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M-2H+K"	36.948606
"847895"	231.054106	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-2H+K"	36.948606
"1569642"	231.054106	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+K-2H"	36.948606
"952785"	239.103694	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-H+HCOOH"	44.998194
"373188"	433.209201	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+HCOOH-H"	44.998201
"359988"	447.224851	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+Hac-H"	59.013851
"1508301"	253.119351	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Hac-H"	59.013851
"973771"	261.085651	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-H+NaCOOH"	66.980151
"119071"	229.074902	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+2Cl"	69.938804
"551340"	326.127652	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+2Cl"	69.938804
"1022690"	132.022152	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2Cl"	69.938804
"1241583"	273.024385	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Br"	78.918885
"1316399"	275.080372	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Cl+HCOOH"	80.974872
"1333890"	297.062329	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Cl+NaCOOH"	102.956829
"924217"	307.091086	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M-H+CF3COOH"	112.985586
"1300561"	343.067764	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Cl+CF3COOH"	148.962264
"1376899"	159.092824	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H-2H2O"	-35.012676
"1393667"	177.1028	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H-H2O"	-17.0027
"296271"	389.218276	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+H"	1.007276
"683587"	583.323776	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+H"	1.007276
"1358845"	195.112776	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H"	1.007276
"135016"	195.112776	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+2H"	2.014552
"568016"	292.165526	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+2H"	2.014552
"1039367"	98.060026	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2H"	2.014552
"206902"	130.410942666667	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+3H"	3.021828
"651930"	195.112776	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+3H"	3.021828
"1172242"	65.7091093333333	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+3H"	3.021828
"432236"	406.244823	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+NH4"	18.033823
"796148"	600.350323	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+NH4"	18.033823
"1690655"	212.139323	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+NH4"	18.033823
"340757"	203.6260495	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+H+NH4"	19.041099
"734635"	300.6787995	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+H+NH4"	19.041099
"1487373"	106.5732995	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H+NH4"	19.041099
"403873"	411.200218	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+Na"	22.989218
"764866"	605.305718	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+Na"	22.989218
"1612964"	217.094718	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Na"	22.989218
"324459"	206.103747	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+H+Na"	23.996494
"716515"	303.156497	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+H+Na"	23.996494
"1470699"	109.050997	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H+Na"	23.996494
"1065034"	73.0364233333333	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2H+Na"	25.00377
"1265256"	227.138986	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+CH3OH+H"	33.033486
"388203"	427.174158	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+K"	38.963158
"751024"	621.279658	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+K"	38.963158
"1553078"	233.068658	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+K"	38.963158
"309156"	214.090717	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+H+K"	39.970434
"697574"	311.143467	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+H+K"	39.970434
"1456498"	117.037967	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H+K"	39.970434
"248379"	430.244826	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+ACN+H"	42.033826
"1222552"	236.139326	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+ACN+H"	42.033826
"1208623"	118.573301	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+ACN+2H"	43.041102
"201497"	433.18216	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+2Na-H"	44.97116
"640693"	627.28766	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+2Na-H"	44.97116
"1144201"	239.07666	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2Na-H"	44.97116
"183478"	217.094718	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+2Na"	45.978436
"624863"	314.147468	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+2Na"	45.978436
"1124723"	120.041968	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2Na"	45.978436
"1409705"	80.3637373333333	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H+2Na"	46.985712
"1440362"	241.118246	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H+HCOOH"	47.012746
"223133"	222.12774	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+3H2O+2H"	56.04448
"1514478"	255.17029	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+IsoProp+H"	61.06479
"413070"	225.081688	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+Na+K"	61.952376
"781722"	322.134438	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+Na+K"	61.952376
"1679151"	128.028938	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Na+K"	61.952376
"262387"	452.226768	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+ACN+Na"	64.015768
"1241016"	258.121268	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+ACN+Na"	64.015768
"1728411"	258.144793	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+NH4+HCOOH"	64.039293
"1193721"	87.6910513333333	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+3Na"	68.967654
"1664338"	263.100188	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Na+HCOOH"	68.994688
"169377"	465.13004	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+2K-H"	76.91904
"611487"	659.23554	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+2K-H"	76.91904
"1099898"	271.02454	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2K-H"	76.91904
"156464"	233.068658	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"2M+2K"	77.926316
"595290"	330.121408	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"3M+2K"	77.926316
"1083938"	136.015908	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2K"	77.926316
"1113019"	273.039092	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2K+H"	78.933592
"1347215"	273.126707	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+DMSO+H"	79.021207
"1020848"	277.165876	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2ACN+H"	83.060376
"1537150"	278.159508	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+IsoProp+Na+H"	84.054008
"997036"	139.086576	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+2ACN+2H"	84.067652
"1590445"	279.074128	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+K+HCOOH"	84.968628
"1421572"	309.105638	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+H+CF3COOH"	115.000138
"1156240"	159.599851	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+3ACN+2H"	125.094202
"1704698"	326.132185	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+NH4+CF3COOH"	132.026685
"1639255"	331.08758	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+Na+CF3COOH"	136.98208
"1571863"	347.06152	"C17964"	"Pilocarpidine"	"C10H14N2O2"	"194.1055"	"M+K+CF3COOH"	152.95602
"810740"	148.0888	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M"	0
"980992"	129.07041	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-H2O-H"	-19.01839
"70327"	97.7185906666667	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M-3H"	-3.021828
"509887"	147.081524	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M-3H"	-3.021828
"892067"	48.3556573333333	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-3H"	-3.021828
"10643"	147.081524	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M-2H"	-2.014552
"449111"	221.125924	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M-2H"	-2.014552
"829098"	73.037124	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-2H"	-2.014552
"91277"	295.170324	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M-H"	-1.007276
"531566"	443.259124	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M-H"	-1.007276
"910340"	147.081524	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-H"	-1.007276
"61677"	312.196871	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M-2H+NH4"	16.019271
"499658"	460.285671	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M-2H+NH4"	16.019271
"878439"	164.108071	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-2H+NH4"	16.019271
"43901"	317.152266	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M-2H+Na"	20.974666
"479087"	465.241066	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M-2H+Na"	20.974666
"860897"	169.063466	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-2H+Na"	20.974666
"1623143"	169.063466	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Na-2H"	20.974666
"97486"	165.069863	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M-H+Cl"	33.962126
"534863"	239.114263	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M-H+Cl"	33.962126
"927232"	91.025463	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-H+Cl"	33.962126
"272403"	331.147002	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+Cl"	34.969402
"671391"	479.235802	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+Cl"	34.969402
"1282699"	183.058202	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Cl"	34.969402
"27442"	333.126206	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M-2H+K"	36.948606
"465909"	481.215006	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M-2H+K"	36.948606
"845898"	185.037406	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-2H+K"	36.948606
"1563918"	185.037406	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+K-2H"	36.948606
"952895"	193.086994	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-H+HCOOH"	44.998194
"372934"	341.175801	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+HCOOH-H"	44.998201
"360098"	355.191451	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+Hac-H"	59.013851
"1508204"	207.102651	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Hac-H"	59.013851
"966993"	215.068951	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-H+NaCOOH"	66.980151
"118087"	183.058202	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+2Cl"	69.938804
"550721"	257.102602	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+2Cl"	69.938804
"1023165"	109.013802	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2Cl"	69.938804
"1244932"	227.007685	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Br"	78.918885
"1317230"	229.063672	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Cl+HCOOH"	80.974872
"1334001"	251.045629	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Cl+NaCOOH"	102.956829
"924327"	261.074386	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M-H+CF3COOH"	112.985586
"1301764"	297.051064	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Cl+CF3COOH"	148.962264
"1374092"	113.076124	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H-2H2O"	-35.012676
"1391589"	131.0861	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H-H2O"	-17.0027
"294556"	297.184876	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+H"	1.007276
"680417"	445.273676	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+H"	1.007276
"1357862"	149.096076	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H"	1.007276
"135126"	149.096076	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+2H"	2.014552
"569219"	223.140476	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+2H"	2.014552
"1039477"	75.051676	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2H"	2.014552
"208105"	99.7331426666667	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+3H"	3.021828
"650947"	149.096076	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+3H"	3.021828
"1172352"	50.3702093333333	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+3H"	3.021828
"432346"	314.211423	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+NH4"	18.033823
"796622"	462.300223	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+NH4"	18.033823
"1690765"	166.122623	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+NH4"	18.033823
"341231"	157.6093495	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+H+NH4"	19.041099
"734381"	231.6537495	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+H+NH4"	19.041099
"1489669"	83.5649495	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H+NH4"	19.041099
"403983"	319.166818	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+Na"	22.989218
"762790"	467.255618	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+Na"	22.989218
"1613074"	171.078018	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Na"	22.989218
"324570"	160.087047	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+H+Na"	23.996494
"716625"	234.131447	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+H+Na"	23.996494
"1471537"	86.042647	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H+Na"	23.996494
"1065508"	57.6975233333333	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2H+Na"	25.00377
"1266459"	181.122286	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+CH3OH+H"	33.033486
"388313"	335.140758	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+K"	38.963158
"750404"	483.229558	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+K"	38.963158
"1552824"	187.051958	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+K"	38.963158
"309630"	168.074017	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+H+K"	39.970434
"701693"	242.118417	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+H+K"	39.970434
"1448584"	94.029617	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H+K"	39.970434
"243385"	338.211426	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+ACN+H"	42.033826
"1222661"	190.122626	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+ACN+H"	42.033826
"1207636"	95.564951	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+ACN+2H"	43.041102
"199055"	341.14876	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+2Na-H"	44.97116
"635701"	489.23756	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+2Na-H"	44.97116
"1140301"	193.05996	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2Na-H"	44.97116
"179215"	171.078018	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+2Na"	45.978436
"621693"	245.122418	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+2Na"	45.978436
"1123375"	97.033618	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2Na"	45.978436
"1404711"	65.0248373333333	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H+2Na"	46.985712
"1440472"	195.101546	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H+HCOOH"	47.012746
"221299"	176.11104	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+3H2O+2H"	56.04448
"1511308"	209.15359	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+IsoProp+H"	61.06479
"409291"	179.064988	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+Na+K"	61.952376
"781468"	253.109388	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+Na+K"	61.952376
"1679261"	105.020588	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Na+K"	61.952376
"262497"	360.193368	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+ACN+Na"	64.015768
"1238855"	212.104568	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+ACN+Na"	64.015768
"1727379"	212.128093	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+NH4+HCOOH"	64.039293
"1190547"	72.3521513333333	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+3Na"	68.967654
"1660439"	217.083488	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Na+HCOOH"	68.994688
"170581"	373.09664	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+2K-H"	76.91904
"611232"	521.18544	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+2K-H"	76.91904
"1099269"	225.00784	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2K-H"	76.91904
"156816"	187.051958	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"2M+2K"	77.926316
"595400"	261.096358	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"3M+2K"	77.926316
"1082587"	113.007558	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2K"	77.926316
"1113855"	227.022392	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2K+H"	78.933592
"1348417"	227.110007	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+DMSO+H"	79.021207
"1019864"	231.149176	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2ACN+H"	83.060376
"1538232"	232.142808	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+IsoProp+Na+H"	84.054008
"993866"	116.078226	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+2ACN+2H"	84.067652
"1589461"	233.057428	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+K+HCOOH"	84.968628
"1419496"	263.088938	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+H+CF3COOH"	115.000138
"1154163"	136.591501	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+3ACN+2H"	125.094202
"1701528"	280.115485	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+NH4+CF3COOH"	132.026685
"1639365"	285.07088	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+Na+CF3COOH"	136.98208
"1571729"	301.04482	"C17965"	"trans-Lachnophyllol"	"C10H12O"	"148.0888"	"M+K+CF3COOH"	152.95602
"810850"	426.3862	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M"	0
"981102"	407.36781	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"70437"	283.250190666667	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"509997"	425.378924	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"894363"	141.121457333333	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"10753"	425.378924	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"449220"	638.572024	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"829208"	212.185824	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"91386"	851.765124	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"529853"	1278.151324	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"911099"	425.378924	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"62395"	868.791671	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"498309"	1295.177871	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"876839"	442.405471	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"42554"	873.747066	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"480290"	1300.133266	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"861009"	447.360866	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627628"	447.360866	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"99784"	443.367263	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"536183"	656.560363	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"928118"	230.174163	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"272513"	887.741802	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"671501"	1314.128002	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1280622"	461.355602	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"24272"	889.721006	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"466019"	1316.107206	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847468"	463.334806	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1564028"	463.334806	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"953005"	471.384394	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"373044"	897.770601	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"360208"	911.786251	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1506126"	485.400051	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"973180"	493.366351	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119291"	461.355602	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"556667"	674.548702	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1024005"	248.162502	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1243951"	505.305085	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1317340"	507.361072	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1335329"	529.343029	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"926260"	539.371786	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1301509"	575.348464	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1375295"	391.373524	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1391699"	409.3835	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"294666"	853.779676	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"681622"	1280.165876	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1360158"	427.393476	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H"	1.007276
"134143"	427.393476	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"567507"	640.586576	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1039951"	214.200376	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"210404"	285.264742666667	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"652153"	427.393476	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1173557"	143.136009333333	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433550"	870.806223	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"797462"	1297.192423	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1693064"	444.420023	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"340248"	435.9067495	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"731575"	649.0998495	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1491602"	222.7136495	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"401906"	875.761618	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"763994"	1302.147818	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1612091"	449.375418	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"326502"	438.384447	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"720259"	651.577547	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1475537"	225.191347	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1067443"	150.463323333333	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1266570"	459.419686	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"387330"	891.735558	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"751606"	1318.121758	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1553297"	465.349358	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+K"	38.963158
"306460"	446.371417	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"699979"	659.564517	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1448330"	233.178317	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"243495"	894.806226	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1221677"	468.420026	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1206653"	234.713651	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"199166"	897.74356	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"635812"	1324.12976	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1141503"	471.35736	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"180420"	449.375418	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"622166"	662.568518	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1125672"	236.182318	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1405914"	157.790637333333	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1439124"	473.398946	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"221166"	454.40844	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1510325"	487.45099	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"409280"	457.362388	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"779756"	670.555488	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1679371"	244.169288	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"262607"	916.788168	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1240425"	490.401968	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1727131"	490.425493	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1191750"	165.117951333333	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1660549"	495.380888	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"172515"	929.69144	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"612200"	1356.07764	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1098779"	503.30524	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"156570"	465.349358	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"595389"	678.542458	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1082819"	252.156258	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1114938"	505.319792	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1345246"	505.407407	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1012683"	509.446576	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1535182"	510.440208	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"992883"	255.226926	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1588842"	511.354828	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1420699"	541.386338	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1152086"	275.740201	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1701637"	558.412885	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1639475"	563.36828	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1572935"	579.34222	"C17966"	"Shionone;Shionon"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"810960"	264.107	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M"	0
"984491"	245.08861	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-H2O-H"	-19.01839
"70547"	175.064057333333	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M-3H"	-3.021828
"509013"	263.099724	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M-3H"	-3.021828
"895082"	87.0283906666667	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-3H"	-3.021828
"14023"	263.099724	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M-2H"	-2.014552
"452609"	395.153224	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M-2H"	-2.014552
"830412"	131.046224	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-2H"	-2.014552
"92469"	527.206724	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M-H"	-1.007276
"531058"	791.313724	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M-H"	-1.007276
"910196"	263.099724	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-H"	-1.007276
"62506"	544.233271	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M-2H+NH4"	16.019271
"500604"	808.340271	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M-2H+NH4"	16.019271
"879139"	280.126271	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-2H+NH4"	16.019271
"44851"	549.188666	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M-2H+Na"	20.974666
"485140"	813.295666	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M-2H+Na"	20.974666
"861482"	285.081666	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-2H+Na"	20.974666
"1627737"	285.081666	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Na-2H"	20.974666
"103170"	281.088063	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M-H+Cl"	33.962126
"538724"	413.141563	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M-H+Cl"	33.962126
"931874"	149.034563	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-H+Cl"	33.962126
"272987"	563.183402	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+Cl"	34.969402
"669423"	827.290402	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+Cl"	34.969402
"1284012"	299.076402	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Cl"	34.969402
"28760"	565.162606	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M-2H+K"	36.948606
"469780"	829.269606	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M-2H+K"	36.948606
"846119"	301.055606	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-2H+K"	36.948606
"1569242"	301.055606	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+K-2H"	36.948606
"957126"	309.105194	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-H+HCOOH"	44.998194
"374616"	573.212201	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+HCOOH-H"	44.998201
"359226"	587.227851	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+Hac-H"	59.013851
"1506235"	323.120851	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Hac-H"	59.013851
"972683"	331.087151	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-H+NaCOOH"	66.980151
"118308"	299.076402	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+2Cl"	69.938804
"556777"	431.129902	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+2Cl"	69.938804
"1023141"	167.022902	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2Cl"	69.938804
"1246248"	343.025885	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Br"	78.918885
"1317450"	345.081872	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Cl+HCOOH"	80.974872
"1332763"	367.063829	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Cl+NaCOOH"	102.956829
"923818"	377.092586	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M-H+CF3COOH"	112.985586
"1297244"	413.069264	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Cl+CF3COOH"	148.962264
"1376499"	229.094324	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H-2H2O"	-35.012676
"1390714"	247.1043	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H-H2O"	-17.0027
"288213"	529.221276	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+H"	1.007276
"682823"	793.328276	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+H"	1.007276
"1355891"	265.114276	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H"	1.007276
"132066"	265.114276	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+2H"	2.014552
"568345"	397.167776	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+2H"	2.014552
"1041518"	133.060776	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2H"	2.014552
"207232"	177.078609333333	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+3H"	3.021828
"653355"	265.114276	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+3H"	3.021828
"1173667"	89.0429426666667	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+3H"	3.021828
"431474"	546.247823	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+NH4"	18.033823
"796842"	810.354823	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+NH4"	18.033823
"1688799"	282.140823	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+NH4"	18.033823
"338171"	273.6275495	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+H+NH4"	19.041099
"730592"	405.6810495	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+H+NH4"	19.041099
"1482225"	141.5740495	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H+NH4"	19.041099
"403108"	551.203218	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+Na"	22.989218
"765196"	815.310218	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+Na"	22.989218
"1614389"	287.096218	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Na"	22.989218
"327703"	276.105247	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+H+Na"	23.996494
"721097"	408.158747	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+H+Na"	23.996494
"1476619"	144.051747	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H+Na"	23.996494
"1068458"	96.3702566666667	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2H+Na"	25.00377
"1269959"	297.140486	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+CH3OH+H"	33.033486
"387440"	567.177158	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+K"	38.963158
"751716"	831.284158	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+K"	38.963158
"1553769"	303.070158	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+K"	38.963158
"306570"	284.092217	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+H+K"	39.970434
"700089"	416.145717	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+H+K"	39.970434
"1449897"	152.038717	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H+K"	39.970434
"245792"	570.247826	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+ACN+H"	42.033826
"1222882"	306.140826	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+ACN+H"	42.033826
"1208710"	153.574051	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+ACN+2H"	43.041102
"198547"	573.18516	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+2Na-H"	44.97116
"634830"	837.29216	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+2Na-H"	44.97116
"1139428"	309.07816	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2Na-H"	44.97116
"175063"	287.096218	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+2Na"	45.978436
"620089"	419.149718	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+2Na"	45.978436
"1123596"	155.042718	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2Na"	45.978436
"1404932"	103.697570666667	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H+2Na"	46.985712
"1437048"	311.119746	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H+HCOOH"	47.012746
"220787"	292.12924	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+3H2O+2H"	56.04448
"1512622"	325.17179	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+IsoProp+H"	61.06479
"412307"	295.083188	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+Na+K"	61.952376
"779867"	427.136688	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+Na+K"	61.952376
"1680580"	163.029688	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Na+K"	61.952376
"265637"	592.229768	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+ACN+Na"	64.015768
"1239803"	328.122768	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+ACN+Na"	64.015768
"1727233"	328.146293	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+NH4+HCOOH"	64.039293
"1193804"	111.024884666667	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+3Na"	68.967654
"1664794"	333.101688	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Na+HCOOH"	68.994688
"171163"	605.13304	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+2K-H"	76.91904
"612183"	869.24004	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+2K-H"	76.91904
"1098029"	341.02604	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2K-H"	76.91904
"153872"	303.070158	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"2M+2K"	77.926316
"595135"	435.123658	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"3M+2K"	77.926316
"1082807"	171.016658	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2K"	77.926316
"1111158"	343.040592	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2K+H"	78.933592
"1347544"	343.128207	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+DMSO+H"	79.021207
"1016073"	347.167376	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2ACN+H"	83.060376
"1538818"	348.161008	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+IsoProp+Na+H"	84.054008
"1001742"	174.087326	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+2ACN+2H"	84.067652
"1588592"	349.075628	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+K+HCOOH"	84.968628
"1417532"	379.107138	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+H+CF3COOH"	115.000138
"1154379"	194.600601	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+3ACN+2H"	125.094202
"1697141"	396.133685	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+NH4+CF3COOH"	132.026685
"1636305"	401.08908	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+Na+CF3COOH"	136.98208
"1574141"	417.06302	"C17967"	"Bluensidine"	"C8H16N4O6"	"264.107"	"M+K+CF3COOH"	152.95602
"805602"	379.1591	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M"	0
"983508"	360.14071	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-H2O-H"	-19.01839
"75033"	251.765457333333	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M-3H"	-3.021828
"514593"	378.151824	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M-3H"	-3.021828
"893125"	125.379090666667	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-3H"	-3.021828
"13158"	378.151824	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M-2H"	-2.014552
"455277"	567.731374	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M-2H"	-2.014552
"831253"	188.572274	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-2H"	-2.014552
"93759"	757.310924	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M-H"	-1.007276
"533236"	1136.470024	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M-H"	-1.007276
"908615"	378.151824	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-H"	-1.007276
"61288"	774.337471	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M-2H+NH4"	16.019271
"501699"	1153.496571	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M-2H+NH4"	16.019271
"879823"	395.178371	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-2H+NH4"	16.019271
"46712"	779.292866	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M-2H+Na"	20.974666
"485615"	1158.451966	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M-2H+Na"	20.974666
"860502"	400.133766	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-2H+Na"	20.974666
"1631131"	400.133766	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Na-2H"	20.974666
"102190"	396.140163	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M-H+Cl"	33.962126
"541752"	585.719713	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M-H+Cl"	33.962126
"934173"	206.560613	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-H+Cl"	33.962126
"268718"	793.287602	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+Cl"	34.969402
"671719"	1172.446702	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+Cl"	34.969402
"1284122"	414.128502	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Cl"	34.969402
"28508"	795.266806	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M-2H+K"	36.948606
"470253"	1174.425906	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M-2H+K"	36.948606
"848016"	416.107706	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-2H+K"	36.948606
"1571266"	416.107706	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+K-2H"	36.948606
"958013"	424.157294	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-H+HCOOH"	44.998194
"376948"	803.316401	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+HCOOH-H"	44.998201
"360066"	817.332051	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+Hac-H"	59.013851
"1505252"	438.172951	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Hac-H"	59.013851
"973732"	446.139251	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-H+NaCOOH"	66.980151
"122792"	414.128502	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+2Cl"	69.938804
"556887"	603.708052	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+2Cl"	69.938804
"1024226"	224.548952	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2Cl"	69.938804
"1249639"	458.077985	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Br"	78.918885
"1317561"	460.133972	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Cl+HCOOH"	80.974872
"1333604"	482.115929	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Cl+NaCOOH"	102.956829
"925751"	492.144686	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M-H+CF3COOH"	112.985586
"1300636"	528.121364	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Cl+CF3COOH"	148.962264
"1381715"	344.146424	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H-2H2O"	-35.012676
"1395565"	362.1564	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H-H2O"	-17.0027
"295251"	759.325476	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+H"	1.007276
"687673"	1138.484576	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+H"	1.007276
"1362929"	380.166376	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H"	1.007276
"136551"	380.166376	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+2H"	2.014552
"570642"	569.745926	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+2H"	2.014552
"1042722"	190.586826	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2H"	2.014552
"210622"	253.780009333333	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+3H"	3.021828
"657840"	380.166376	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+3H"	3.021828
"1175967"	127.393642666667	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+3H"	3.021828
"435595"	776.352023	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+NH4"	18.033823
"797319"	1155.511123	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+NH4"	18.033823
"1692190"	397.192923	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+NH4"	18.033823
"341563"	388.6796495	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+H+NH4"	19.041099
"735807"	578.2591995	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+H+NH4"	19.041099
"1487440"	199.1000995	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H+NH4"	19.041099
"402126"	781.307418	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+Na"	22.989218
"767495"	1160.466518	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+Na"	22.989218
"1612313"	402.148318	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Na"	22.989218
"327815"	391.157347	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+H+Na"	23.996494
"721208"	580.736897	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+H+Na"	23.996494
"1475153"	201.577797	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H+Na"	23.996494
"1068113"	134.720956666667	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2H+Na"	25.00377
"1271164"	412.192586	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+CH3OH+H"	33.033486
"391924"	797.281358	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+K"	38.963158
"753408"	1176.440458	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+K"	38.963158
"1555427"	418.122258	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+K"	38.963158
"312513"	399.144317	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+H+K"	39.970434
"700199"	588.723867	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+H+K"	39.970434
"1451831"	209.564767	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H+K"	39.970434
"245902"	800.352026	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+ACN+H"	42.033826
"1222994"	421.192926	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+ACN+H"	42.033826
"1207971"	211.100101	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+ACN+2H"	43.041102
"198657"	803.28936	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+2Na-H"	44.97116
"634939"	1182.44846	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+2Na-H"	44.97116
"1142454"	424.13026	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2Na-H"	44.97116
"177359"	402.148318	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+2Na"	45.978436
"622386"	591.727868	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+2Na"	45.978436
"1123706"	212.568768	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2Na"	45.978436
"1407230"	142.048270666667	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H+2Na"	46.985712
"1441532"	426.171846	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H+HCOOH"	47.012746
"225758"	407.18134	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+3H2O+2H"	56.04448
"1513825"	440.22389	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+IsoProp+H"	61.06479
"412417"	410.135288	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+Na+K"	61.952376
"779977"	599.714838	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+Na+K"	61.952376
"1679957"	220.555738	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Na+K"	61.952376
"265747"	822.333968	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+ACN+Na"	64.015768
"1238821"	443.174868	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+ACN+Na"	64.015768
"1726979"	443.198393	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+NH4+HCOOH"	64.039293
"1193060"	149.375584666667	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+3Na"	68.967654
"1665022"	448.153788	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Na+HCOOH"	68.994688
"171638"	835.23724	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+2K-H"	76.91904
"612730"	1214.39634	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+2K-H"	76.91904
"1099602"	456.07814	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2K-H"	76.91904
"156049"	418.122258	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"2M+2K"	77.926316
"592450"	607.701808	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"3M+2K"	77.926316
"1082188"	228.542708	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2K"	77.926316
"1111268"	458.092692	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2K+H"	78.933592
"1345467"	458.180307	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+DMSO+H"	79.021207
"1012902"	462.219476	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2ACN+H"	83.060376
"1538684"	463.213108	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+IsoProp+Na+H"	84.054008
"998572"	231.613376	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+2ACN+2H"	84.067652
"1596357"	464.127728	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+K+HCOOH"	84.968628
"1417643"	494.159238	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+H+CF3COOH"	115.000138
"1157770"	252.126651	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+3ACN+2H"	125.094202
"1699669"	511.185785	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+NH4+CF3COOH"	132.026685
"1637508"	516.14118	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+Na+CF3COOH"	136.98208
"1571818"	532.11512	"C17968"	"Kasugamycin"	"C14H25N3O9"	"379.1591"	"M+K+CF3COOH"	152.95602
"817049"	618.3337	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M"	0
"987995"	599.31531	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-H2O-H"	-19.01839
"72956"	411.215190666667	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M-3H"	-3.021828
"515797"	617.326424	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M-3H"	-3.021828
"895427"	205.103957333333	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-3H"	-3.021828
"11082"	617.326424	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M-2H"	-2.014552
"451736"	926.493274	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M-2H"	-2.014552
"832662"	308.159574	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-2H"	-2.014552
"94194"	1235.660124	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M-H"	-1.007276
"531652"	1853.993824	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M-H"	-1.007276
"910181"	617.326424	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-H"	-1.007276
"61036"	1252.686671	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M-2H+NH4"	16.019271
"501316"	1871.020371	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M-2H+NH4"	16.019271
"878875"	634.352971	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-2H+NH4"	16.019271
"46497"	1257.642066	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M-2H+Na"	20.974666
"485725"	1875.975766	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M-2H+Na"	20.974666
"862433"	639.308366	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-2H+Na"	20.974666
"1629052"	639.308366	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Na-2H"	20.974666
"103391"	635.314763	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M-H+Cl"	33.962126
"541862"	944.481613	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M-H+Cl"	33.962126
"934282"	326.147913	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-H+Cl"	33.962126
"271747"	1271.636802	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+Cl"	34.969402
"671829"	1889.970502	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+Cl"	34.969402
"1284232"	653.303102	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Cl"	34.969402
"28982"	1273.616006	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M-2H+K"	36.948606
"469269"	1891.949706	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M-2H+K"	36.948606
"847801"	655.282306	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-2H+K"	36.948606
"1571131"	655.282306	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+K-2H"	36.948606
"958291"	663.331894	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-H+HCOOH"	44.998194
"375929"	1281.665601	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+HCOOH-H"	44.998201
"359814"	1295.681251	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+Hac-H"	59.013851
"1507428"	677.347551	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Hac-H"	59.013851
"973761"	685.313851	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-H+NaCOOH"	66.980151
"121809"	653.303102	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+2Cl"	69.938804
"556997"	962.469952	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+2Cl"	69.938804
"1022879"	344.136252	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2Cl"	69.938804
"1248654"	697.252585	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Br"	78.918885
"1313294"	699.308572	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Cl+HCOOH"	80.974872
"1334850"	721.290529	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Cl+NaCOOH"	102.956829
"925133"	731.319286	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M-H+CF3COOH"	112.985586
"1300382"	767.295964	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Cl+CF3COOH"	148.962264
"1379637"	583.321024	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H-2H2O"	-35.012676
"1394216"	601.331	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H-H2O"	-17.0027
"292808"	1237.674676	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+H"	1.007276
"687419"	1856.008376	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+H"	1.007276
"1359392"	619.340976	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H"	1.007276
"136661"	619.340976	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+2H"	2.014552
"574762"	928.507826	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+2H"	2.014552
"1042832"	310.174126	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2H"	2.014552
"211826"	413.229742666667	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+3H"	3.021828
"657586"	619.340976	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+3H"	3.021828
"1176077"	207.118509333333	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+3H"	3.021828
"436069"	1254.701223	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+NH4"	18.033823
"797429"	1873.034923	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+NH4"	18.033823
"1690114"	636.367523	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+NH4"	18.033823
"340580"	627.8542495	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+H+NH4"	19.041099
"735188"	937.0210995	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+H+NH4"	19.041099
"1486821"	318.6873995	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H+NH4"	19.041099
"408354"	1259.656618	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+Na"	22.989218
"766512"	1877.990318	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+Na"	22.989218
"1613519"	641.322918	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Na"	22.989218
"327927"	630.331947	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+H+Na"	23.996494
"721078"	939.498797	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+H+Na"	23.996494
"1476929"	321.165097	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H+Na"	23.996494
"1068270"	214.445823333333	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2H+Na"	25.00377
"1271278"	651.367186	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+CH3OH+H"	33.033486
"392568"	1275.630558	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+K"	38.963158
"753398"	1893.964258	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+K"	38.963158
"1553625"	657.296858	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+K"	38.963158
"312987"	638.318917	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+H+K"	39.970434
"703593"	947.485767	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+H+K"	39.970434
"1459600"	329.152067	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H+K"	39.970434
"247106"	1278.701226	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+ACN+H"	42.033826
"1225248"	660.367526	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+ACN+H"	42.033826
"1208081"	330.687401	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+ACN+2H"	43.041102
"203671"	1281.63856	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+2Na-H"	44.97116
"642706"	1899.97226	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+2Na-H"	44.97116
"1146213"	663.30486	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2Na-H"	44.97116
"182938"	641.322918	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+2Na"	45.978436
"623590"	950.489768	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+2Na"	45.978436
"1130625"	332.156068	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2Na"	45.978436
"1405153"	221.773137333333	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H+2Na"	46.985712
"1437270"	665.346446	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H+HCOOH"	47.012746
"225870"	646.35594	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+3H2O+2H"	56.04448
"1510657"	679.39849	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+IsoProp+H"	61.06479
"422012"	649.309888	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+Na+K"	61.952376
"783738"	958.476738	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+Na+K"	61.952376
"1678977"	340.143038	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Na+K"	61.952376
"265860"	1300.683168	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+ACN+Na"	64.015768
"1238933"	682.349468	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+ACN+Na"	64.015768
"1727455"	682.372993	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+NH4+HCOOH"	64.039293
"1192078"	229.100451333333	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+3Na"	68.967654
"1664893"	687.328388	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Na+HCOOH"	68.994688
"172643"	1313.58644	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+2K-H"	76.91904
"612745"	1931.92014	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+2K-H"	76.91904
"1099589"	695.25274	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2K-H"	76.91904
"156776"	657.296858	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"2M+2K"	77.926316
"594748"	966.463708	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"3M+2K"	77.926316
"1084168"	348.130008	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2K"	77.926316
"1114662"	697.267292	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2K+H"	78.933592
"1348857"	697.354907	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+DMSO+H"	79.021207
"1019575"	701.394076	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2ACN+H"	83.060376
"1538673"	702.387708	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+IsoProp+Na+H"	84.054008
"1004878"	351.200676	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+2ACN+2H"	84.067652
"1596467"	703.302328	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+K+HCOOH"	84.968628
"1421033"	733.333838	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+H+CF3COOH"	115.000138
"1157880"	371.713951	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+3ACN+2H"	125.094202
"1705248"	750.360385	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+NH4+CF3COOH"	132.026685
"1637618"	755.31578	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+Na+CF3COOH"	136.98208
"1580924"	771.28972	"C17969"	"Minosaminomycin"	"C25H46N8O10"	"618.3337"	"M+K+CF3COOH"	152.95602
"810197"	346.174	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M"	0
"983729"	327.15561	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-H2O-H"	-19.01839
"70877"	229.775390666667	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M-3H"	-3.021828
"509345"	345.166724	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M-3H"	-3.021828
"891158"	114.384057333333	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-3H"	-3.021828
"10099"	345.166724	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M-2H"	-2.014552
"452940"	518.253724	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M-2H"	-2.014552
"832084"	172.079724	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-2H"	-2.014552
"92072"	691.340724	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M-H"	-1.007276
"533092"	1037.514724	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M-H"	-1.007276
"909191"	345.166724	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-H"	-1.007276
"61137"	708.367271	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M-2H+NH4"	16.019271
"502154"	1054.541271	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M-2H+NH4"	16.019271
"878135"	362.193271	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-2H+NH4"	16.019271
"45669"	713.322666	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M-2H+Na"	20.974666
"484742"	1059.496666	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M-2H+Na"	20.974666
"861814"	367.148666	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-2H+Na"	20.974666
"1628069"	367.148666	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Na-2H"	20.974666
"103501"	363.155063	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M-H+Cl"	33.962126
"544158"	536.242063	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M-H+Cl"	33.962126
"934392"	190.068063	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-H+Cl"	33.962126
"268698"	727.317402	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+Cl"	34.969402
"671939"	1073.491402	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+Cl"	34.969402
"1284342"	381.143402	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Cl"	34.969402
"28726"	729.296606	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M-2H+K"	36.948606
"468284"	1075.470606	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M-2H+K"	36.948606
"847178"	383.122606	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-2H+K"	36.948606
"1569575"	383.122606	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+K-2H"	36.948606
"957706"	391.172194	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-H+HCOOH"	44.998194
"376402"	737.346201	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+HCOOH-H"	44.998201
"358098"	751.361851	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+Hac-H"	59.013851
"1507659"	405.187851	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Hac-H"	59.013851
"972534"	413.154151	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-H+NaCOOH"	66.980151
"121919"	381.143402	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+2Cl"	69.938804
"557107"	554.230402	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+2Cl"	69.938804
"1022989"	208.056402	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2Cl"	69.938804
"1246577"	425.092885	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Br"	78.918885
"1314498"	427.148872	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Cl+HCOOH"	80.974872
"1334186"	449.130829	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Cl+NaCOOH"	102.956829
"924879"	459.159586	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M-H+CF3COOH"	112.985586
"1297576"	495.136264	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Cl+CF3COOH"	148.962264
"1380113"	311.161324	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H-2H2O"	-35.012676
"1395055"	329.1713	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H-H2O"	-17.0027
"290731"	693.355276	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+H"	1.007276
"686434"	1039.529276	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+H"	1.007276
"1359502"	347.181276	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H"	1.007276
"136771"	347.181276	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+2H"	2.014552
"571956"	520.268276	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+2H"	2.014552
"1040755"	174.094276	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2H"	2.014552
"214122"	231.789942666667	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+3H"	3.021828
"657332"	347.181276	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+3H"	3.021828
"1175822"	116.398609333333	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+3H"	3.021828
"429616"	710.381823	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+NH4"	18.033823
"794986"	1056.555823	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+NH4"	18.033823
"1689130"	364.207823	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+NH4"	18.033823
"340689"	355.6945495	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+H+NH4"	19.041099
"734204"	528.7815495	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+H+NH4"	19.041099
"1485837"	182.6075495	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H+NH4"	19.041099
"407454"	715.337218	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+Na"	22.989218
"765531"	1061.511218	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+Na"	22.989218
"1616789"	369.163218	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Na"	22.989218
"329793"	358.172247	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+H+Na"	23.996494
"722620"	531.259247	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+H+Na"	23.996494
"1476967"	185.085247	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H+Na"	23.996494
"1067159"	123.725923333333	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2H+Na"	25.00377
"1271999"	379.207486	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+CH3OH+H"	33.033486
"392516"	731.311158	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+K"	38.963158
"750954"	1077.485158	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+K"	38.963158
"1553493"	385.137158	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+K"	38.963158
"312369"	366.159217	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+H+K"	39.970434
"704432"	539.246217	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+H+K"	39.970434
"1460806"	193.072217	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H+K"	39.970434
"249405"	734.381826	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+ACN+H"	42.033826
"1224303"	388.207826	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+ACN+H"	42.033826
"1207827"	194.607551	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+ACN+2H"	43.041102
"203015"	737.31916	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+2Na-H"	44.97116
"641362"	1083.49316	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+2Na-H"	44.97116
"1146733"	391.14516	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2Na-H"	44.97116
"187065"	369.163218	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+2Na"	45.978436
"623702"	542.250218	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+2Na"	45.978436
"1129761"	196.076218	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2Na"	45.978436
"1409639"	131.053237333333	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H+2Na"	46.985712
"1442848"	393.186746	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H+HCOOH"	47.012746
"230355"	374.19624	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+3H2O+2H"	56.04448
"1514045"	407.23879	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+IsoProp+H"	61.06479
"415917"	377.150188	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+Na+K"	61.952376
"785577"	550.237188	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+Na+K"	61.952376
"1681198"	204.063188	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Na+K"	61.952376
"267070"	756.363768	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+ACN+Na"	64.015768
"1241316"	410.189768	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+ACN+Na"	64.015768
"1727930"	410.213293	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+NH4+HCOOH"	64.039293
"1193979"	138.380551333333	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+3Na"	68.967654
"1665513"	415.168688	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Na+HCOOH"	68.994688
"172810"	769.26704	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+2K-H"	76.91904
"611419"	1115.44104	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+2K-H"	76.91904
"1098846"	423.09304	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2K-H"	76.91904
"157106"	385.137158	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"2M+2K"	77.926316
"597013"	558.224158	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"3M+2K"	77.926316
"1084040"	212.050158	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2K"	77.926316
"1115261"	425.107592	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2K+H"	78.933592
"1348967"	425.195207	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+DMSO+H"	79.021207
"1020541"	429.234376	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2ACN+H"	83.060376
"1538904"	430.228008	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+IsoProp+Na+H"	84.054008
"1004627"	215.120826	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+2ACN+2H"	84.067652
"1600951"	431.142628	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+K+HCOOH"	84.968628
"1428433"	461.174138	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+H+CF3COOH"	115.000138
"1162365"	235.634101	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+3ACN+2H"	125.094202
"1705358"	478.200685	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+NH4+CF3COOH"	132.026685
"1638821"	483.15608	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+Na+CF3COOH"	136.98208
"1572286"	499.13002	"C17970"	"Spenolimycin"	"C15H26N2O7"	"346.174"	"M+K+CF3COOH"	152.95602
"809214"	340.1482	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M"	0
"980559"	321.12981	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-H2O-H"	-19.01839
"69894"	225.758190666667	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M-3H"	-3.021828
"510548"	339.140924	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M-3H"	-3.021828
"890904"	112.375457333333	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-3H"	-3.021828
"12395"	339.140924	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M-2H"	-2.014552
"453781"	509.215024	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M-2H"	-2.014552
"829041"	169.066824	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-2H"	-2.014552
"91097"	679.289124	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M-H"	-1.007276
"532109"	1019.437324	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M-H"	-1.007276
"907851"	339.140924	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-H"	-1.007276
"60036"	696.315671	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M-2H+NH4"	16.019271
"500324"	1036.463871	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M-2H+NH4"	16.019271
"877513"	356.167471	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-2H+NH4"	16.019271
"44565"	701.271066	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M-2H+Na"	20.974666
"483030"	1041.419266	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M-2H+Na"	20.974666
"861924"	361.122866	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-2H+Na"	20.974666
"1625990"	361.122866	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Na-2H"	20.974666
"100334"	357.129263	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M-H+Cl"	33.962126
"543176"	527.203363	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M-H+Cl"	33.962126
"930128"	187.055163	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-H+Cl"	33.962126
"269780"	715.265802	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+Cl"	34.969402
"669863"	1055.414002	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+Cl"	34.969402
"1275705"	375.117602	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Cl"	34.969402
"27012"	717.245006	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M-2H+K"	36.948606
"467301"	1057.393206	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M-2H+K"	36.948606
"844375"	377.096806	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-2H+K"	36.948606
"1566768"	377.096806	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+K-2H"	36.948606
"953558"	385.146394	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-H+HCOOH"	44.998194
"374325"	725.294601	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+HCOOH-H"	44.998201
"354561"	739.310251	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+Hac-H"	59.013851
"1501209"	399.162051	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Hac-H"	59.013851
"969845"	407.128351	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-H+NaCOOH"	66.980151
"117657"	375.117602	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+2Cl"	69.938804
"562686"	545.191702	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+2Cl"	69.938804
"1030390"	205.043502	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2Cl"	69.938804
"1246687"	419.067085	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Br"	78.918885
"1310235"	421.123072	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Cl+HCOOH"	80.974872
"1334420"	443.105029	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Cl+NaCOOH"	102.956829
"922073"	453.133786	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M-H+CF3COOH"	112.985586
"1296593"	489.110464	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Cl+CF3COOH"	148.962264
"1381440"	305.135524	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H-2H2O"	-35.012676
"1394437"	323.1455	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H-H2O"	-17.0027
"290842"	681.303676	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+H"	1.007276
"686547"	1021.451876	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+H"	1.007276
"1358519"	341.155476	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H"	1.007276
"136881"	341.155476	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+2H"	2.014552
"572066"	511.229576	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+2H"	2.014552
"1040865"	171.081376	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2H"	2.014552
"213139"	227.772742666667	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+3H"	3.021828
"657442"	341.155476	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+3H"	3.021828
"1175203"	114.390009333333	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+3H"	3.021828
"430819"	698.330223	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+NH4"	18.033823
"795096"	1038.478423	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+NH4"	18.033823
"1690335"	358.182023	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+NH4"	18.033823
"340799"	349.6687495	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+H+NH4"	19.041099
"734314"	519.7428495	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+H+NH4"	19.041099
"1488136"	179.5946495	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H+NH4"	19.041099
"406832"	703.285618	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+Na"	22.989218
"764548"	1043.433818	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+Na"	22.989218
"1617749"	363.137418	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Na"	22.989218
"327784"	352.146447	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+H+Na"	23.996494
"721542"	522.220547	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+H+Na"	23.996494
"1474756"	182.072347	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H+Na"	23.996494
"1066537"	121.717323333333	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2H+Na"	25.00377
"1271862"	373.181686	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+CH3OH+H"	33.033486
"390801"	719.259558	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+K"	38.963158
"751793"	1059.407758	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+K"	38.963158
"1553845"	379.111358	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+K"	38.963158
"313941"	360.133417	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+H+K"	39.970434
"700532"	530.207517	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+H+K"	39.970434
"1460185"	190.059317	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H+K"	39.970434
"249514"	722.330226	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+ACN+H"	42.033826
"1224776"	382.182026	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+ACN+H"	42.033826
"1207207"	191.594651	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+ACN+2H"	43.041102
"202884"	725.26756	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+2Na-H"	44.97116
"642563"	1065.41576	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+2Na-H"	44.97116
"1145341"	385.11936	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2Na-H"	44.97116
"187174"	363.137418	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+2Na"	45.978436
"627949"	533.211518	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+2Na"	45.978436
"1129508"	193.063318	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2Na"	45.978436
"1408657"	129.044637333333	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H+2Na"	46.985712
"1443325"	387.160946	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H+HCOOH"	47.012746
"230101"	368.17044	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+3H2O+2H"	56.04448
"1515251"	401.21299	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+IsoProp+H"	61.06479
"416757"	371.124388	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+Na+K"	61.952376
"785174"	541.198488	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+Na+K"	61.952376
"1680536"	201.050288	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Na+K"	61.952376
"266447"	744.312168	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+ACN+Na"	64.015768
"1240976"	404.163968	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+ACN+Na"	64.015768
"1728040"	404.187493	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+NH4+HCOOH"	64.039293
"1194006"	136.371951333333	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+3Na"	68.967654
"1665432"	409.142888	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Na+HCOOH"	68.994688
"172097"	757.21544	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+2K-H"	76.91904
"611651"	1097.36364	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+2K-H"	76.91904
"1097742"	417.06724	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2K-H"	76.91904
"156628"	379.111358	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"2M+2K"	77.926316
"596189"	549.185458	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"3M+2K"	77.926316
"1082768"	209.037258	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2K"	77.926316
"1113911"	419.081792	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2K+H"	78.933592
"1346891"	419.169407	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+DMSO+H"	79.021207
"1019920"	423.208576	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2ACN+H"	83.060376
"1534642"	424.202208	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+IsoProp+Na+H"	84.054008
"1001090"	212.107926	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+2ACN+2H"	84.067652
"1598872"	425.116828	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+K+HCOOH"	84.968628
"1423439"	455.148338	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+H+CF3COOH"	115.000138
"1161381"	232.621201	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+3ACN+2H"	125.094202
"1705466"	472.174885	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+NH4+CF3COOH"	132.026685
"1636745"	477.13028	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+Na+CF3COOH"	136.98208
"1572396"	493.10422	"C17971"	"Fortimicin FU-10"	"C12H24N2O9"	"340.1482"	"M+K+CF3COOH"	152.95602
"816816"	353.1798	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M"	0
"989523"	334.16141	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-H2O-H"	-19.01839
"73287"	234.445924	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M-3H"	-3.021828
"513941"	352.172524	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M-3H"	-3.021828
"893201"	116.719324	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-3H"	-3.021828
"13976"	352.172524	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M-2H"	-2.014552
"453538"	528.762424	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M-2H"	-2.014552
"828777"	175.582624	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-2H"	-2.014552
"92050"	705.352324	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M-H"	-1.007276
"531859"	1058.532124	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M-H"	-1.007276
"909781"	352.172524	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-H"	-1.007276
"60509"	722.378871	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M-2H+NH4"	16.019271
"500066"	1075.558671	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M-2H+NH4"	16.019271
"876772"	369.199071	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-2H+NH4"	16.019271
"44674"	727.334266	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M-2H+Na"	20.974666
"483140"	1080.514066	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M-2H+Na"	20.974666
"860941"	374.154466	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-2H+Na"	20.974666
"1626100"	374.154466	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Na-2H"	20.974666
"100443"	370.160863	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M-H+Cl"	33.962126
"540006"	546.750763	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M-H+Cl"	33.962126
"930238"	193.570963	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-H+Cl"	33.962126
"269890"	741.329002	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+Cl"	34.969402
"667785"	1094.508802	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+Cl"	34.969402
"1275815"	388.149202	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Cl"	34.969402
"26759"	743.308206	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M-2H+K"	36.948606
"467778"	1096.488006	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M-2H+K"	36.948606
"846307"	390.128406	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-2H+K"	36.948606
"1565784"	390.128406	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+K-2H"	36.948606
"953668"	398.177994	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-H+HCOOH"	44.998194
"372976"	751.357801	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+HCOOH-H"	44.998201
"356857"	765.373451	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+Hac-H"	59.013851
"1501319"	412.193651	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Hac-H"	59.013851
"968861"	420.159951	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-H+NaCOOH"	66.980151
"119953"	388.149202	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+2Cl"	69.938804
"560609"	564.739102	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+2Cl"	69.938804
"1028313"	211.559302	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2Cl"	69.938804
"1246432"	432.098685	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Br"	78.918885
"1312533"	434.154672	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Cl+HCOOH"	80.974872
"1333676"	456.136629	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Cl+NaCOOH"	102.956829
"922911"	466.165386	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M-H+CF3COOH"	112.985586
"1301807"	502.142064	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Cl+CF3COOH"	148.962264
"1380333"	318.167124	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H-2H2O"	-35.012676
"1393818"	336.1771	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H-H2O"	-17.0027
"289858"	707.366876	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+H"	1.007276
"686657"	1060.546676	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+H"	1.007276
"1359722"	354.187076	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H"	1.007276
"131523"	354.187076	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+2H"	2.014552
"572176"	530.776976	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+2H"	2.014552
"1038544"	177.597176	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2H"	2.014552
"208876"	236.460476	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+3H"	3.021828
"652811"	354.187076	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+3H"	3.021828
"1168749"	118.733876	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+3H"	3.021828
"430931"	724.393423	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+NH4"	18.033823
"796299"	1077.573223	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+NH4"	18.033823
"1689352"	371.213623	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+NH4"	18.033823
"342368"	362.7003495	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+H+NH4"	19.041099
"734424"	539.2902495	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+H+NH4"	19.041099
"1484968"	186.1104495	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H+NH4"	19.041099
"408284"	729.348818	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+Na"	22.989218
"764656"	1082.528618	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+Na"	22.989218
"1612756"	376.169018	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Na"	22.989218
"327533"	365.178047	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+H+Na"	23.996494
"720317"	541.767947	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+H+Na"	23.996494
"1475232"	188.588147	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H+Na"	23.996494
"1067830"	126.06119	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2H+Na"	25.00377
"1272178"	386.213286	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+CH3OH+H"	33.033486
"392336"	745.322758	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+K"	38.963158
"753897"	1098.502558	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+K"	38.963158
"1554932"	392.142958	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+K"	38.963158
"314097"	373.165017	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+H+K"	39.970434
"701735"	549.754917	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+H+K"	39.970434
"1456654"	196.575117	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H+K"	39.970434
"248536"	748.393426	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+ACN+H"	42.033826
"1219057"	395.213626	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+ACN+H"	42.033826
"1209149"	198.110451	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+ACN+2H"	43.041102
"203358"	751.33076	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+2Na-H"	44.97116
"643407"	1104.51056	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+2Na-H"	44.97116
"1146752"	398.15096	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2Na-H"	44.97116
"188258"	376.169018	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+2Na"	45.978436
"627818"	552.758918	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+2Na"	45.978436
"1128525"	199.579118	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2Na"	45.978436
"1410954"	133.388504	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H+2Na"	46.985712
"1441977"	400.192546	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H+HCOOH"	47.012746
"227299"	381.20204	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+3H2O+2H"	56.04448
"1519735"	414.24459	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+IsoProp+H"	61.06479
"424001"	384.155988	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+Na+K"	61.952376
"785041"	560.745888	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+Na+K"	61.952376
"1680769"	207.566088	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Na+K"	61.952376
"265102"	770.375368	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+ACN+Na"	64.015768
"1239271"	417.195568	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+ACN+Na"	64.015768
"1725971"	417.219093	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+NH4+HCOOH"	64.039293
"1192055"	140.715818	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+3Na"	68.967654
"1663404"	422.174488	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Na+HCOOH"	68.994688
"170265"	783.27864	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+2K-H"	76.91904
"610916"	1136.45844	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+2K-H"	76.91904
"1097863"	430.09884	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2K-H"	76.91904
"154798"	392.142958	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"2M+2K"	77.926316
"592903"	568.732858	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"3M+2K"	77.926316
"1081058"	215.553058	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2K"	77.926316
"1110626"	432.113392	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2K+H"	78.933592
"1348103"	432.201007	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+DMSO+H"	79.021207
"1019185"	436.240176	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2ACN+H"	83.060376
"1535486"	437.233808	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+IsoProp+Na+H"	84.054008
"1002299"	218.623726	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+2ACN+2H"	84.067652
"1598984"	438.148428	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+K+HCOOH"	84.968628
"1427561"	468.179938	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+H+CF3COOH"	115.000138
"1161498"	239.137001	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+3ACN+2H"	125.094202
"1705578"	485.206485	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+NH4+CF3COOH"	132.026685
"1640134"	490.16188	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+Na+CF3COOH"	136.98208
"1575786"	506.13582	"C17972"	"Fortimicin AO"	"C13H27N3O8"	"353.1798"	"M+K+CF3COOH"	152.95602
"810527"	352.1958	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M"	0
"982967"	333.17741	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-H2O-H"	-19.01839
"73395"	233.789924	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M-3H"	-3.021828
"509675"	351.188524	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M-3H"	-3.021828
"890758"	116.391324	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-3H"	-3.021828
"10429"	351.188524	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M-2H"	-2.014552
"449990"	527.286424	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M-2H"	-2.014552
"828887"	175.090624	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-2H"	-2.014552
"92155"	703.384324	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M-H"	-1.007276
"532087"	1055.580124	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M-H"	-1.007276
"910375"	351.188524	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-H"	-1.007276
"61346"	720.410871	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M-2H+NH4"	16.019271
"500904"	1072.606671	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M-2H+NH4"	16.019271
"875787"	368.215071	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-2H+NH4"	16.019271
"42596"	725.366266	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M-2H+Na"	20.974666
"483250"	1077.562066	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M-2H+Na"	20.974666
"857770"	373.170466	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-2H+Na"	20.974666
"1624024"	373.170466	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Na-2H"	20.974666
"100553"	369.176863	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M-H+Cl"	33.962126
"540116"	545.274763	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M-H+Cl"	33.962126
"931442"	193.078963	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-H+Cl"	33.962126
"270000"	739.361002	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+Cl"	34.969402
"667895"	1091.556802	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+Cl"	34.969402
"1275925"	387.165202	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Cl"	34.969402
"27229"	741.340206	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M-2H+K"	36.948606
"467889"	1093.536006	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M-2H+K"	36.948606
"843501"	389.144406	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-2H+K"	36.948606
"1566987"	389.144406	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+K-2H"	36.948606
"952685"	397.193994	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-H+HCOOH"	44.998194
"373086"	749.389801	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+HCOOH-H"	44.998201
"354781"	763.405451	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+Hac-H"	59.013851
"1506168"	411.209651	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Hac-H"	59.013851
"967878"	419.175951	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-H+NaCOOH"	66.980151
"120063"	387.165202	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+2Cl"	69.938804
"561812"	563.263102	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+2Cl"	69.938804
"1029516"	211.067302	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2Cl"	69.938804
"1247635"	431.114685	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Br"	78.918885
"1311549"	433.170672	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Cl+HCOOH"	80.974872
"1329046"	455.152629	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Cl+NaCOOH"	102.956829
"920106"	465.181386	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M-H+CF3COOH"	112.985586
"1296814"	501.158064	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Cl+CF3COOH"	148.962264
"1381052"	317.183124	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H-2H2O"	-35.012676
"1393563"	335.1931	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H-H2O"	-17.0027
"291062"	705.398876	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+H"	1.007276
"682391"	1057.594676	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+H"	1.007276
"1358739"	353.203076	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H"	1.007276
"131633"	353.203076	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+2H"	2.014552
"572286"	529.300976	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+2H"	2.014552
"1041086"	177.105176	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2H"	2.014552
"212267"	235.804476	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+3H"	3.021828
"656201"	353.203076	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+3H"	3.021828
"1169952"	118.405876	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+3H"	3.021828
"435416"	722.425423	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+NH4"	18.033823
"795317"	1074.621223	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+NH4"	18.033823
"1691649"	370.229623	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+NH4"	18.033823
"341020"	361.7163495	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+H+NH4"	19.041099
"734536"	537.8142495	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+H+NH4"	19.041099
"1488359"	185.6184495	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H+NH4"	19.041099
"403757"	727.380818	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+Na"	22.989218
"768041"	1079.576618	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+Na"	22.989218
"1616149"	375.185018	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Na"	22.989218
"329464"	364.194047	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+H+Na"	23.996494
"722414"	540.291947	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+H+Na"	23.996494
"1476723"	188.096147	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H+Na"	23.996494
"1068188"	125.73319	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2H+Na"	25.00377
"1272326"	385.229286	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+CH3OH+H"	33.033486
"389199"	743.354758	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+K"	38.963158
"752013"	1095.550558	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+K"	38.963158
"1554433"	391.158958	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+K"	38.963158
"313066"	372.181017	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+H+K"	39.970434
"700747"	548.278917	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+H+K"	39.970434
"1459316"	196.083117	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H+K"	39.970434
"248282"	746.425426	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+ACN+H"	42.033826
"1222082"	394.229626	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+ACN+H"	42.033826
"1209217"	197.618451	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+ACN+2H"	43.041102
"204135"	749.36276	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+2Na-H"	44.97116
"643515"	1101.55856	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+2Na-H"	44.97116
"1146292"	397.16696	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2Na-H"	44.97116
"187960"	375.185018	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+2Na"	45.978436
"628172"	551.282918	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+2Na"	45.978436
"1129973"	199.087118	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2Na"	45.978436
"1409972"	133.060504	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H+2Na"	46.985712
"1440994"	399.208546	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H+HCOOH"	47.012746
"226315"	380.21804	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+3H2O+2H"	56.04448
"1522032"	413.26059	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+IsoProp+H"	61.06479
"423463"	383.171988	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+Na+K"	61.952376
"784905"	559.269888	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+Na+K"	61.952376
"1679786"	207.074088	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Na+K"	61.952376
"265580"	768.407368	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+ACN+Na"	64.015768
"1238652"	416.211568	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+ACN+Na"	64.015768
"1726445"	416.235093	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+NH4+HCOOH"	64.039293
"1192894"	140.387818	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+3Na"	68.967654
"1663150"	421.190488	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Na+HCOOH"	68.994688
"170741"	781.31064	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+2K-H"	76.91904
"611030"	1133.50644	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+2K-H"	76.91904
"1096639"	429.11484	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2K-H"	76.91904
"154545"	391.158958	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"2M+2K"	77.926316
"593013"	567.256858	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"3M+2K"	77.926316
"1081896"	215.061058	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2K"	77.926316
"1109277"	431.129392	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2K+H"	78.933592
"1347845"	431.217007	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+DMSO+H"	79.021207
"1018566"	435.256176	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2ACN+H"	83.060376
"1537416"	436.249808	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+IsoProp+Na+H"	84.054008
"1003499"	218.131726	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+2ACN+2H"	84.067652
"1600553"	437.164428	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+K+HCOOH"	84.968628
"1429128"	467.195938	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+H+CF3COOH"	115.000138
"1162337"	238.645001	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+3ACN+2H"	125.094202
"1705688"	484.222485	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+NH4+CF3COOH"	132.026685
"1638057"	489.17788	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+Na+CF3COOH"	136.98208
"1575896"	505.15182	"C17973"	"Fortimicin KL1"	"C13H28N4O7"	"352.1958"	"M+K+CF3COOH"	152.95602
"813919"	366.2114	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M"	0
"981984"	347.19301	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-H2O-H"	-19.01839
"73505"	243.133657333333	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M-3H"	-3.021828
"510878"	365.204124	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M-3H"	-3.021828
"891961"	121.063190666667	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-3H"	-3.021828
"13090"	365.204124	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M-2H"	-2.014552
"451192"	548.309824	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M-2H"	-2.014552
"830089"	182.098424	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-2H"	-2.014552
"90079"	731.415524	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M-H"	-1.007276
"530734"	1097.626924	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M-H"	-1.007276
"906352"	365.204124	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-H"	-1.007276
"60000"	748.442071	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M-2H+NH4"	16.019271
"499190"	1114.653471	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M-2H+NH4"	16.019271
"873710"	382.230671	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-2H+NH4"	16.019271
"39426"	753.397466	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M-2H+Na"	20.974666
"480081"	1119.608866	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M-2H+Na"	20.974666
"856787"	387.186066	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-2H+Na"	20.974666
"1624134"	387.186066	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Na-2H"	20.974666
"98476"	383.192463	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M-H+Cl"	33.962126
"541319"	566.298163	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M-H+Cl"	33.962126
"932645"	200.086763	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-H+Cl"	33.962126
"267515"	767.392202	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+Cl"	34.969402
"666912"	1133.603602	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+Cl"	34.969402
"1276399"	401.180802	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Cl"	34.969402
"27339"	769.371406	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M-2H+K"	36.948606
"467999"	1135.582806	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M-2H+K"	36.948606
"842517"	403.160006	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-2H+K"	36.948606
"1567097"	403.160006	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+K-2H"	36.948606
"953888"	411.209594	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-H+HCOOH"	44.998194
"372103"	777.421001	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+HCOOH-H"	44.998201
"357077"	791.436651	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+Hac-H"	59.013851
"1503725"	425.225251	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Hac-H"	59.013851
"969081"	433.191551	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-H+NaCOOH"	66.980151
"119080"	401.180802	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+2Cl"	69.938804
"560828"	584.286502	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+2Cl"	69.938804
"1029626"	218.075102	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2Cl"	69.938804
"1248110"	445.130285	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Br"	78.918885
"1312754"	447.186272	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Cl+HCOOH"	80.974872
"1330980"	469.168229	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Cl+NaCOOH"	102.956829
"924956"	479.196986	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M-H+CF3COOH"	112.985586
"1298017"	515.173664	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Cl+CF3COOH"	148.962264
"1378367"	331.198724	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H-2H2O"	-35.012676
"1394402"	349.2087	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H-H2O"	-17.0027
"291172"	733.430076	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+H"	1.007276
"682501"	1099.641476	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+H"	1.007276
"1361037"	367.218676	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H"	1.007276
"137212"	367.218676	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+2H"	2.014552
"571304"	550.324376	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+2H"	2.014552
"1042289"	184.112976	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2H"	2.014552
"212377"	245.148209333333	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+3H"	3.021828
"655583"	367.218676	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+3H"	3.021828
"1168969"	123.077742666667	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+3H"	3.021828
"435162"	750.456623	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+NH4"	18.033823
"796885"	1116.668023	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+NH4"	18.033823
"1691759"	384.245223	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+NH4"	18.033823
"341859"	375.7319495	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+H+NH4"	19.041099
"734646"	558.8376495	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+H+NH4"	19.041099
"1483000"	192.6262495	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H+NH4"	19.041099
"401678"	755.412018	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+Na"	22.989218
"768881"	1121.623418	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+Na"	22.989218
"1611884"	389.200618	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Na"	22.989218
"328481"	378.209647	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+H+Na"	23.996494
"722634"	561.315347	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+H+Na"	23.996494
"1476508"	195.103947	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H+Na"	23.996494
"1068296"	130.405056666667	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2H+Na"	25.00377
"1271828"	399.244886	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+CH3OH+H"	33.033486
"389309"	771.385958	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+K"	38.963158
"752123"	1137.597358	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+K"	38.963158
"1552358"	405.174558	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+K"	38.963158
"310260"	386.196617	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+H+K"	39.970434
"700857"	569.302317	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+H+K"	39.970434
"1457962"	203.090917	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H+K"	39.970434
"243280"	774.456626	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+ACN+H"	42.033826
"1222921"	408.245226	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+ACN+H"	42.033826
"1209610"	204.626251	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+ACN+2H"	43.041102
"204153"	777.39396	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+2Na-H"	44.97116
"643952"	1143.60536	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+2Na-H"	44.97116
"1147003"	411.18256	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2Na-H"	44.97116
"188110"	389.200618	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+2Na"	45.978436
"628329"	572.306318	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+2Na"	45.978436
"1130979"	206.094918	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2Na"	45.978436
"1413737"	137.732370666667	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H+2Na"	46.985712
"1445206"	413.224146	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H+HCOOH"	47.012746
"234809"	394.23364	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+3H2O+2H"	56.04448
"1521048"	427.27619	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+IsoProp+H"	61.06479
"423742"	397.187588	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+Na+K"	61.952376
"784539"	580.293288	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+Na+K"	61.952376
"1680827"	214.081888	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Na+K"	61.952376
"266711"	796.438568	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+ACN+Na"	64.015768
"1239735"	430.227168	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+ACN+Na"	64.015768
"1728141"	430.250693	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+NH4+HCOOH"	64.039293
"1193368"	145.059684666667	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+3Na"	68.967654
"1664711"	435.206088	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Na+HCOOH"	68.994688
"170854"	809.34184	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+2K-H"	76.91904
"611141"	1175.55324	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+2K-H"	76.91904
"1098810"	443.13044	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2K-H"	76.91904
"156472"	405.174558	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"2M+2K"	77.926316
"595310"	588.280258	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"3M+2K"	77.926316
"1082370"	222.068858	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2K"	77.926316
"1111940"	445.144992	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2K+H"	78.933592
"1349054"	445.232607	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+DMSO+H"	79.021207
"1019407"	449.271776	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2ACN+H"	83.060376
"1539352"	450.265408	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+IsoProp+Na+H"	84.054008
"1004708"	225.139526	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+2ACN+2H"	84.067652
"1602125"	451.180028	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+K+HCOOH"	84.968628
"1429846"	481.211538	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+H+CF3COOH"	115.000138
"1162446"	245.652801	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+3ACN+2H"	125.094202
"1710174"	498.238085	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+NH4+CF3COOH"	132.026685
"1640356"	503.19348	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+Na+CF3COOH"	136.98208
"1581474"	519.16742	"C17974"	"Fortimicin KK1"	"C14H30N4O7"	"366.2114"	"M+K+CF3COOH"	152.95602
"801999"	334.2216	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M"	0
"978812"	315.20321	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-H2O-H"	-19.01839
"72522"	221.807124	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M-3H"	-3.021828
"508801"	333.214324	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M-3H"	-3.021828
"880088"	110.399924	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-3H"	-3.021828
"7365"	333.214324	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M-2H"	-2.014552
"444737"	500.325124	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M-2H"	-2.014552
"824729"	166.103524	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-2H"	-2.014552
"88002"	667.435924	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M-H"	-1.007276
"526472"	1001.657524	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M-H"	-1.007276
"905369"	333.214324	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-H"	-1.007276
"58287"	684.462471	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M-2H+NH4"	16.019271
"496020"	1018.684071	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M-2H+NH4"	16.019271
"872727"	350.240871	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-2H+NH4"	16.019271
"39536"	689.417866	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M-2H+Na"	20.974666
"480190"	1023.639466	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M-2H+Na"	20.974666
"852523"	355.196266	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-2H+Na"	20.974666
"1623151"	355.196266	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Na-2H"	20.974666
"97493"	351.202663	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M-H+Cl"	33.962126
"541429"	518.313463	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M-H+Cl"	33.962126
"931662"	184.091863	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-H+Cl"	33.962126
"267667"	703.412602	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+Cl"	34.969402
"667022"	1037.634202	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+Cl"	34.969402
"1276509"	369.191002	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Cl"	34.969402
"23076"	705.391806	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M-2H+K"	36.948606
"468109"	1039.613406	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M-2H+K"	36.948606
"839348"	371.170206	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-2H+K"	36.948606
"1561742"	371.170206	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+K-2H"	36.948606
"952905"	379.219794	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-H+HCOOH"	44.998194
"370026"	713.441401	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+HCOOH-H"	44.998201
"355001"	727.457051	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+Hac-H"	59.013851
"1501648"	393.235451	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Hac-H"	59.013851
"969191"	401.201751	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-H+NaCOOH"	66.980151
"120284"	369.191002	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+2Cl"	69.938804
"560938"	536.301802	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+2Cl"	69.938804
"1026456"	202.080202	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2Cl"	69.938804
"1248220"	413.140485	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Br"	78.918885
"1310677"	415.196472	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Cl+HCOOH"	80.974872
"1328173"	437.178429	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Cl+NaCOOH"	102.956829
"925794"	447.207186	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M-H+CF3COOH"	112.985586
"1300313"	483.183864	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Cl+CF3COOH"	148.962264
"1379568"	299.208924	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H-2H2O"	-35.012676
"1395968"	317.2189	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H-H2O"	-17.0027
"295290"	669.450476	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+H"	1.007276
"681516"	1003.672076	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+H"	1.007276
"1357864"	335.228876	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H"	1.007276
"137322"	335.228876	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+2H"	2.014552
"571414"	502.339676	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+2H"	2.014552
"1040212"	168.118076	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2H"	2.014552
"209207"	223.821676	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+3H"	3.021828
"649861"	335.228876	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+3H"	3.021828
"1167985"	112.414476	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+3H"	3.021828
"432354"	686.477023	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+NH4"	18.033823
"793348"	1020.698623	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+NH4"	18.033823
"1691869"	352.255423	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+NH4"	18.033823
"340510"	343.7421495	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+H+NH4"	19.041099
"734756"	510.8529495	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+H+NH4"	19.041099
"1485294"	176.6313495	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H+NH4"	19.041099
"402880"	691.432418	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+Na"	22.989218
"767168"	1025.654018	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+Na"	22.989218
"1610900"	357.210818	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Na"	22.989218
"327498"	346.219847	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+H+Na"	23.996494
"721012"	513.330647	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+H+Na"	23.996494
"1476737"	179.109047	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H+Na"	23.996494
"1068200"	119.74179	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2H+Na"	25.00377
"1268657"	367.255086	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+CH3OH+H"	33.033486
"387232"	707.406358	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+K"	38.963158
"750410"	1041.627958	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+K"	38.963158
"1551372"	373.184758	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+K"	38.963158
"312799"	354.206817	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+H+K"	39.970434
"697687"	521.317617	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+H+K"	39.970434
"1452603"	187.096017	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H+K"	39.970434
"242297"	710.477026	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+ACN+H"	42.033826
"1217201"	376.255426	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+ACN+H"	42.033826
"1209721"	188.631351	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+ACN+2H"	43.041102
"204221"	713.41436	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+2Na-H"	44.97116
"644149"	1047.63596	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+2Na-H"	44.97116
"1146887"	379.19276	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2Na-H"	44.97116
"187855"	357.210818	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+2Na"	45.978436
"628439"	524.321618	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+2Na"	45.978436
"1130562"	190.100018	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2Na"	45.978436
"1414011"	127.069104	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H+2Na"	46.985712
"1445230"	381.234346	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H+HCOOH"	47.012746
"234189"	362.24384	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+3H2O+2H"	56.04448
"1520065"	395.28639	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+IsoProp+H"	61.06479
"423035"	365.197788	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+Na+K"	61.952376
"785300"	532.308588	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+Na+K"	61.952376
"1681026"	198.086988	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Na+K"	61.952376
"265926"	732.458968	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+ACN+Na"	64.015768
"1241144"	398.237368	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+ACN+Na"	64.015768
"1728315"	398.260893	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+NH4+HCOOH"	64.039293
"1194084"	134.396418	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+3Na"	68.967654
"1664093"	403.216288	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Na+HCOOH"	68.994688
"172056"	745.36224	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+2K-H"	76.91904
"611251"	1079.58384	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+2K-H"	76.91904
"1099401"	411.14064	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2K-H"	76.91904
"156336"	373.184758	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"2M+2K"	77.926316
"595052"	540.295558	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"3M+2K"	77.926316
"1080658"	206.073958	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2K"	77.926316
"1113142"	413.155192	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2K+H"	78.933592
"1350622"	413.242807	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+DMSO+H"	79.021207
"1019883"	417.281976	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2ACN+H"	83.060376
"1539508"	418.275608	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+IsoProp+Na+H"	84.054008
"1004452"	209.144626	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+2ACN+2H"	84.067652
"1601141"	419.190228	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+K+HCOOH"	84.968628
"1429749"	449.221738	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+H+CF3COOH"	115.000138
"1162735"	229.657901	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+3ACN+2H"	125.094202
"1711014"	466.248285	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+NH4+CF3COOH"	132.026685
"1640466"	471.20368	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+Na+CF3COOH"	136.98208
"1581584"	487.17762	"C17975"	"Fortimicin AP"	"C14H30N4O5"	"334.2216"	"M+K+CF3COOH"	152.95602
"810857"	348.2373	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M"	0
"978922"	329.21891	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-H2O-H"	-19.01839
"74818"	231.150924	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M-3H"	-3.021828
"512191"	347.230024	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M-3H"	-3.021828
"886713"	115.071824	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-3H"	-3.021828
"13309"	347.230024	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M-2H"	-2.014552
"450318"	521.348674	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M-2H"	-2.014552
"825932"	173.111374	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-2H"	-2.014552
"89935"	695.467324	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M-H"	-1.007276
"527675"	1043.704624	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M-H"	-1.007276
"905478"	347.230024	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-H"	-1.007276
"58397"	712.493871	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M-2H+NH4"	16.019271
"492851"	1060.731171	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M-2H+NH4"	16.019271
"871744"	364.256571	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-2H+NH4"	16.019271
"39646"	717.449266	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M-2H+Na"	20.974666
"478112"	1065.686566	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M-2H+Na"	20.974666
"851174"	369.211966	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-2H+Na"	20.974666
"1624354"	369.211966	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Na-2H"	20.974666
"99789"	365.218363	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M-H+Cl"	33.962126
"541539"	539.337013	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M-H+Cl"	33.962126
"932865"	191.099713	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-H+Cl"	33.962126
"269237"	731.444002	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+Cl"	34.969402
"664948"	1079.681302	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+Cl"	34.969402
"1280628"	383.206702	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Cl"	34.969402
"26464"	733.423206	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M-2H+K"	36.948606
"468218"	1081.660506	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M-2H+K"	36.948606
"840552"	385.185906	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-2H+K"	36.948606
"1566226"	385.185906	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+K-2H"	36.948606
"950829"	393.235494	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-H+HCOOH"	44.998194
"372324"	741.472801	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+HCOOH-H"	44.998201
"355111"	755.488451	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+Hac-H"	59.013851
"1501758"	407.251151	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Hac-H"	59.013851
"968208"	415.217451	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-H+NaCOOH"	66.980151
"120393"	383.206702	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+2Cl"	69.938804
"554852"	557.325352	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+2Cl"	69.938804
"1027294"	209.088052	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2Cl"	69.938804
"1247237"	427.156185	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Br"	78.918885
"1310788"	429.212172	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Cl+HCOOH"	80.974872
"1332660"	451.194129	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Cl+NaCOOH"	102.956829
"920436"	461.222886	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M-H+CF3COOH"	112.985586
"1296049"	497.199564	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Cl+CF3COOH"	148.962264
"1373116"	313.224624	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H-2H2O"	-35.012676
"1385507"	331.2346	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H-H2O"	-17.0027
"290297"	697.481876	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+H"	1.007276
"680896"	1045.719176	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+H"	1.007276
"1357974"	349.244576	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H"	1.007276
"128313"	349.244576	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+2H"	2.014552
"569337"	523.363226	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+2H"	2.014552
"1041417"	175.125926	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2H"	2.014552
"206158"	233.165476	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+3H"	3.021828
"647782"	349.244576	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+3H"	3.021828
"1170281"	117.086376	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+3H"	3.021828
"430275"	714.508423	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+NH4"	18.033823
"790178"	1062.745723	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+NH4"	18.033823
"1689791"	366.271123	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+NH4"	18.033823
"340257"	357.7578495	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+H+NH4"	19.041099
"734499"	531.8764995	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+H+NH4"	19.041099
"1485406"	183.6391995	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H+NH4"	19.041099
"399709"	719.463818	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+Na"	22.989218
"769228"	1067.701118	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+Na"	22.989218
"1611011"	371.226518	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Na"	22.989218
"327608"	360.235547	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+H+Na"	23.996494
"720758"	534.354197	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+H+Na"	23.996494
"1475187"	186.116897	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H+Na"	23.996494
"1065765"	124.41369	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2H+Na"	25.00377
"1271931"	381.270786	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+CH3OH+H"	33.033486
"390623"	735.437758	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+K"	38.963158
"752344"	1083.675058	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+K"	38.963158
"1551114"	387.200458	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+K"	38.963158
"310476"	368.222517	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+H+K"	39.970434
"692692"	542.341167	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+H+K"	39.970434
"1454899"	194.103867	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H+K"	39.970434
"240584"	738.508426	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+ACN+H"	42.033826
"1219497"	390.271126	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+ACN+H"	42.033826
"1209467"	195.639201	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+ACN+2H"	43.041102
"204089"	741.44576	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+2Na-H"	44.97116
"643850"	1089.68306	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+2Na-H"	44.97116
"1146712"	393.20846	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2Na-H"	44.97116
"187965"	371.226518	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+2Na"	45.978436
"626550"	545.345168	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+2Na"	45.978436
"1131161"	197.107868	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2Na"	45.978436
"1412243"	131.741004	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H+2Na"	46.985712
"1442411"	395.250046	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H+HCOOH"	47.012746
"235033"	376.25954	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+3H2O+2H"	56.04448
"1523339"	409.30209	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+IsoProp+H"	61.06479
"424004"	379.213488	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+Na+K"	61.952376
"784887"	553.332138	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+Na+K"	61.952376
"1680488"	205.094838	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Na+K"	61.952376
"265552"	760.490368	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+ACN+Na"	64.015768
"1240851"	412.253068	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+ACN+Na"	64.015768
"1727917"	412.276593	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+NH4+HCOOH"	64.039293
"1192131"	139.068318	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+3Na"	68.967654
"1665063"	417.231988	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Na+HCOOH"	68.994688
"169979"	773.39364	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+2K-H"	76.91904
"611604"	1121.63094	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+2K-H"	76.91904
"1099026"	425.15634	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2K-H"	76.91904
"155601"	387.200458	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"2M+2K"	77.926316
"595164"	561.319108	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"3M+2K"	77.926316
"1082473"	213.081808	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2K"	77.926316
"1112161"	427.170892	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2K+H"	78.933592
"1348546"	427.258507	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+DMSO+H"	79.021207
"1019261"	431.297676	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2ACN+H"	83.060376
"1539332"	432.291308	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+IsoProp+Na+H"	84.054008
"1005174"	216.152476	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+2ACN+2H"	84.067652
"1601863"	433.205928	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+K+HCOOH"	84.968628
"1428368"	463.237438	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+H+CF3COOH"	115.000138
"1162427"	236.665751	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+3ACN+2H"	125.094202
"1709301"	480.263985	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+NH4+CF3COOH"	132.026685
"1641669"	485.21938	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+Na+CF3COOH"	136.98208
"1581694"	501.19332	"C17976"	"Fortimicin KH"	"C15H32N4O5"	"348.2373"	"M+K+CF3COOH"	152.95602
"810967"	348.2373	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M"	0
"979032"	329.21891	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-H2O-H"	-19.01839
"73835"	231.150924	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M-3H"	-3.021828
"512301"	347.230024	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M-3H"	-3.021828
"883541"	115.071824	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-3H"	-3.021828
"7585"	347.230024	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M-2H"	-2.014552
"448236"	521.348674	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M-2H"	-2.014552
"826042"	173.111374	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-2H"	-2.014552
"88222"	695.467324	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M-H"	-1.007276
"526692"	1043.704624	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M-H"	-1.007276
"906317"	347.230024	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-H"	-1.007276
"60329"	712.493871	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M-2H+NH4"	16.019271
"494054"	1060.731171	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M-2H+NH4"	16.019271
"872947"	364.256571	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-2H+NH4"	16.019271
"39756"	717.449266	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M-2H+Na"	20.974666
"477129"	1065.686566	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M-2H+Na"	20.974666
"849703"	369.211966	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-2H+Na"	20.974666
"1624464"	369.211966	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Na-2H"	20.974666
"99899"	365.218363	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M-H+Cl"	33.962126
"544928"	539.337013	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M-H+Cl"	33.962126
"932975"	191.099713	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-H+Cl"	33.962126
"270440"	731.444002	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+Cl"	34.969402
"671615"	1079.681302	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+Cl"	34.969402
"1279644"	383.206702	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Cl"	34.969402
"17461"	733.423206	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M-2H+K"	36.948606
"468328"	1081.660506	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M-2H+K"	36.948606
"840661"	385.185906	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-2H+K"	36.948606
"1565242"	385.185906	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+K-2H"	36.948606
"950939"	393.235494	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-H+HCOOH"	44.998194
"371340"	741.472801	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+HCOOH-H"	44.998201
"351211"	755.488451	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+Hac-H"	59.013851
"1496762"	407.251151	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Hac-H"	59.013851
"965399"	415.217451	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-H+NaCOOH"	66.980151
"113942"	383.206702	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+2Cl"	69.938804
"554962"	557.325352	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+2Cl"	69.938804
"1023758"	209.088052	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2Cl"	69.938804
"1242727"	427.156185	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Br"	78.918885
"1311991"	429.212172	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Cl+HCOOH"	80.974872
"1332405"	451.194129	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Cl+NaCOOH"	102.956829
"918360"	461.222886	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M-H+CF3COOH"	112.985586
"1295066"	497.199564	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Cl+CF3COOH"	148.962264
"1370674"	313.224624	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H-2H2O"	-35.012676
"1387440"	331.2346	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H-H2O"	-17.0027
"290407"	697.481876	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+H"	1.007276
"683558"	1045.719176	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+H"	1.007276
"1356991"	349.244576	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H"	1.007276
"128059"	349.244576	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+2H"	2.014552
"571633"	523.363226	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+2H"	2.014552
"1039336"	175.125926	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2H"	2.014552
"208331"	233.165476	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+3H"	3.021828
"646799"	349.244576	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+3H"	3.021828
"1169298"	117.086376	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+3H"	3.021828
"427103"	714.508423	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+NH4"	18.033823
"790288"	1062.745723	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+NH4"	18.033823
"1687714"	366.271123	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+NH4"	18.033823
"338179"	357.7578495	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+H+NH4"	19.041099
"729505"	531.8764995	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+H+NH4"	19.041099
"1481141"	183.6391995	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H+NH4"	19.041099
"395445"	719.463818	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+Na"	22.989218
"763003"	1067.701118	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+Na"	22.989218
"1615493"	371.226518	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Na"	22.989218
"328811"	360.235547	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+H+Na"	23.996494
"722204"	534.354197	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+H+Na"	23.996494
"1476717"	186.116897	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H+Na"	23.996494
"1068020"	124.41369	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2H+Na"	25.00377
"1272406"	381.270786	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+CH3OH+H"	33.033486
"390733"	735.437758	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+K"	38.963158
"752090"	1083.675058	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+K"	38.963158
"1551224"	387.200458	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+K"	38.963158
"304389"	368.222517	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+H+K"	39.970434
"692438"	542.341167	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+H+K"	39.970434
"1455009"	194.103867	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H+K"	39.970434
"240330"	738.508426	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+ACN+H"	42.033826
"1215224"	390.271126	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+ACN+H"	42.033826
"1209455"	195.639201	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+ACN+2H"	43.041102
"200374"	741.44576	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+2Na-H"	44.97116
"643598"	1089.68306	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+2Na-H"	44.97116
"1146738"	393.20846	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2Na-H"	44.97116
"186859"	371.226518	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+2Na"	45.978436
"625926"	545.345168	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+2Na"	45.978436
"1131027"	197.107868	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2Na"	45.978436
"1410043"	131.741004	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H+2Na"	46.985712
"1440334"	395.250046	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H+HCOOH"	47.012746
"234291"	376.25954	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+3H2O+2H"	56.04448
"1524065"	409.30209	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+IsoProp+H"	61.06479
"424119"	379.213488	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+Na+K"	61.952376
"784510"	553.332138	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+Na+K"	61.952376
"1681043"	205.094838	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Na+K"	61.952376
"266633"	760.490368	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+ACN+Na"	64.015768
"1240191"	412.253068	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+ACN+Na"	64.015768
"1728321"	412.276593	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+NH4+HCOOH"	64.039293
"1193459"	139.068318	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+3Na"	68.967654
"1664443"	417.231988	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Na+HCOOH"	68.994688
"170089"	773.39364	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+2K-H"	76.91904
"612201"	1121.63094	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+2K-H"	76.91904
"1098771"	425.15634	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2K-H"	76.91904
"156073"	387.200458	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"2M+2K"	77.926316
"596003"	561.319108	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"3M+2K"	77.926316
"1082707"	213.081808	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2K"	77.926316
"1108989"	427.170892	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2K+H"	78.933592
"1347563"	427.258507	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+DMSO+H"	79.021207
"1020467"	431.297676	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2ACN+H"	83.060376
"1539077"	432.291308	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+IsoProp+Na+H"	84.054008
"1005488"	216.152476	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+2ACN+2H"	84.067652
"1601974"	433.205928	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+K+HCOOH"	84.968628
"1429332"	463.237438	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+H+CF3COOH"	115.000138
"1161927"	236.665751	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+3ACN+2H"	125.094202
"1710504"	480.263985	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+NH4+CF3COOH"	132.026685
"1641779"	485.21938	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+Na+CF3COOH"	136.98208
"1581804"	501.19332	"C17977"	"Fortimicin KR"	"C15H32N4O5"	"348.2373"	"M+K+CF3COOH"	152.95602
"809984"	348.2373	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M"	0
"979142"	329.21891	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H2O-H"	-19.01839
"70665"	231.150924	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-3H"	-3.021828
"509131"	347.230024	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-3H"	-3.021828
"885838"	115.071824	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-3H"	-3.021828
"6602"	347.230024	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H"	-2.014552
"450534"	521.348674	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H"	-2.014552
"827246"	173.111374	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H"	-2.014552
"91248"	695.467324	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-H"	-1.007276
"528987"	1043.704624	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-H"	-1.007276
"905698"	347.230024	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H"	-1.007276
"60074"	712.493871	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H+NH4"	16.019271
"495256"	1060.731171	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H+NH4"	16.019271
"874150"	364.256571	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H+NH4"	16.019271
"40959"	717.449266	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H+Na"	20.974666
"473957"	1065.686566	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H+Na"	20.974666
"852852"	369.211966	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H+Na"	20.974666
"1630042"	369.211966	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na-2H"	20.974666
"100009"	365.218363	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-H+Cl"	33.962126
"545038"	539.337013	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-H+Cl"	33.962126
"934178"	191.099713	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+Cl"	33.962126
"270913"	731.444002	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Cl"	34.969402
"665157"	1079.681302	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+Cl"	34.969402
"1274400"	383.206702	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl"	34.969402
"20123"	733.423206	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M-2H+K"	36.948606
"466252"	1081.660506	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M-2H+K"	36.948606
"842957"	385.185906	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-2H+K"	36.948606
"1566445"	385.185906	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K-2H"	36.948606
"952142"	393.235494	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+HCOOH"	44.998194
"374002"	741.472801	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+HCOOH-H"	44.998201
"351321"	755.488451	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Hac-H"	59.013851
"1496508"	407.251151	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Hac-H"	59.013851
"967333"	415.217451	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+NaCOOH"	66.980151
"115509"	383.206702	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2Cl"	69.938804
"557988"	557.325352	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2Cl"	69.938804
"1027150"	209.088052	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2Cl"	69.938804
"1247092"	427.156185	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Br"	78.918885
"1312101"	429.212172	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl+HCOOH"	80.974872
"1333244"	451.194129	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl+NaCOOH"	102.956829
"920657"	461.222886	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M-H+CF3COOH"	112.985586
"1298456"	497.199564	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Cl+CF3COOH"	148.962264
"1376616"	313.224624	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H-2H2O"	-35.012676
"1389736"	331.2346	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H-H2O"	-17.0027
"290518"	697.481876	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H"	1.007276
"686585"	1045.719176	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H"	1.007276
"1360017"	349.244576	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H"	1.007276
"131085"	349.244576	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2H"	2.014552
"572838"	523.363226	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2H"	2.014552
"1042728"	175.125926	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2H"	2.014552
"212817"	233.165476	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+3H"	3.021828
"646177"	349.244576	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+3H"	3.021828
"1169408"	117.086376	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+3H"	3.021828
"428305"	714.508423	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+NH4"	18.033823
"790395"	1062.745723	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+NH4"	18.033823
"1690011"	366.271123	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+NH4"	18.033823
"339383"	357.7578495	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H+NH4"	19.041099
"731801"	531.8764995	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H+NH4"	19.041099
"1479060"	183.6391995	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+NH4"	19.041099
"395554"	719.463818	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Na"	22.989218
"764206"	1067.701118	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+Na"	22.989218
"1615602"	371.226518	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na"	22.989218
"329407"	360.235547	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H+Na"	23.996494
"722402"	534.354197	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H+Na"	23.996494
"1476870"	186.116897	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+Na"	23.996494
"1068331"	124.41369	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2H+Na"	25.00377
"1272680"	381.270786	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+CH3OH+H"	33.033486
"391695"	735.437758	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+K"	38.963158
"752928"	1083.675058	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+K"	38.963158
"1550605"	387.200458	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K"	38.963158
"302312"	368.222517	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+H+K"	39.970434
"693642"	542.341167	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+H+K"	39.970434
"1456212"	194.103867	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+K"	39.970434
"243719"	738.508426	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+ACN+H"	42.033826
"1217520"	390.271126	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+ACN+H"	42.033826
"1209283"	195.639201	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+ACN+2H"	43.041102
"200484"	741.44576	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2Na-H"	44.97116
"643789"	1089.68306	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2Na-H"	44.97116
"1146725"	393.20846	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2Na-H"	44.97116
"187697"	371.226518	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2Na"	45.978436
"625671"	545.345168	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2Na"	45.978436
"1130647"	197.107868	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2Na"	45.978436
"1410881"	131.741004	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+2Na"	46.985712
"1440444"	395.250046	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+HCOOH"	47.012746
"235013"	376.25954	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+3H2O+2H"	56.04448
"1523199"	409.30209	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+IsoProp+H"	61.06479
"423823"	379.213488	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+Na+K"	61.952376
"783284"	553.332138	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+Na+K"	61.952376
"1680708"	205.094838	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na+K"	61.952376
"265650"	760.490368	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+ACN+Na"	64.015768
"1240420"	412.253068	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+ACN+Na"	64.015768
"1727484"	412.276593	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+NH4+HCOOH"	64.039293
"1192839"	139.068318	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+3Na"	68.967654
"1664064"	417.231988	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na+HCOOH"	68.994688
"169835"	773.39364	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2K-H"	76.91904
"611339"	1121.63094	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2K-H"	76.91904
"1099003"	425.15634	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2K-H"	76.91904
"155455"	387.200458	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"2M+2K"	77.926316
"595749"	561.319108	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"3M+2K"	77.926316
"1083058"	213.081808	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2K"	77.926316
"1112014"	427.170892	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2K+H"	78.933592
"1347673"	427.258507	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+DMSO+H"	79.021207
"1020455"	431.297676	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2ACN+H"	83.060376
"1538700"	432.291308	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+IsoProp+Na+H"	84.054008
"1004663"	216.152476	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+2ACN+2H"	84.067652
"1602448"	433.205928	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K+HCOOH"	84.968628
"1428957"	463.237438	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+H+CF3COOH"	115.000138
"1161672"	236.665751	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+3ACN+2H"	125.094202
"1709519"	480.263985	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+NH4+CF3COOH"	132.026685
"1641889"	485.21938	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+Na+CF3COOH"	136.98208
"1581914"	501.19332	"C17978"	"1-epi-Fortimicin B"	"C15H32N4O5"	"348.2373"	"M+K+CF3COOH"	152.95602
"812280"	432.2696	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M"	0
"976336"	413.25121	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-H2O-H"	-19.01839
"71868"	287.172457333333	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M-3H"	-3.021828
"512520"	431.262324	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M-3H"	-3.021828
"888133"	143.082590666667	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-3H"	-3.021828
"9991"	431.262324	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M-2H"	-2.014552
"449550"	647.397124	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M-2H"	-2.014552
"828449"	215.127524	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-2H"	-2.014552
"93544"	863.531924	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M-H"	-1.007276
"530190"	1295.801524	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M-H"	-1.007276
"907993"	431.262324	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-H"	-1.007276
"60307"	880.558471	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M-2H+NH4"	16.019271
"496459"	1312.828071	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M-2H+NH4"	16.019271
"874260"	448.288871	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-2H+NH4"	16.019271
"42162"	885.513866	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M-2H+Na"	20.974666
"474430"	1317.783466	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M-2H+Na"	20.974666
"851869"	453.244266	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-2H+Na"	20.974666
"1627965"	453.244266	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Na-2H"	20.974666
"97933"	449.250663	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M-H+Cl"	33.962126
"541868"	665.385463	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M-H+Cl"	33.962126
"933195"	233.115863	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-H+Cl"	33.962126
"269566"	899.508602	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+Cl"	34.969402
"663446"	1331.778202	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+Cl"	34.969402
"1273415"	467.239002	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Cl"	34.969402
"20232"	901.487806	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M-2H+K"	36.948606
"464173"	1333.757406	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M-2H+K"	36.948606
"844159"	469.218206	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-2H+K"	36.948606
"1567648"	469.218206	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+K-2H"	36.948606
"952251"	477.267794	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-H+HCOOH"	44.998194
"366455"	909.537401	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+HCOOH-H"	44.998201
"354346"	923.553051	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+Hac-H"	59.013851
"1496617"	491.283451	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Hac-H"	59.013851
"964523"	499.249751	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-H+NaCOOH"	66.980151
"115983"	467.239002	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+2Cl"	69.938804
"557005"	683.373802	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+2Cl"	69.938804
"1027259"	251.104202	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2Cl"	69.938804
"1245378"	511.188485	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Br"	78.918885
"1314397"	513.244472	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Cl+HCOOH"	80.974872
"1332989"	535.226429	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Cl+NaCOOH"	102.956829
"922954"	545.255186	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M-H+CF3COOH"	112.985586
"1299662"	581.231864	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Cl+CF3COOH"	148.962264
"1378916"	397.256924	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H-2H2O"	-35.012676
"1389850"	415.2669	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H-H2O"	-17.0027
"288442"	865.546476	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+H"	1.007276
"688883"	1297.816076	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+H"	1.007276
"1357212"	433.276876	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H"	1.007276
"132288"	433.276876	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+2H"	2.014552
"572947"	649.411676	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+2H"	2.014552
"1041748"	217.142076	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2H"	2.014552
"211832"	289.187009333333	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+3H"	3.021828
"645560"	433.276876	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+3H"	3.021828
"1168424"	145.097142666667	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+3H"	3.021828
"428415"	882.573023	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+NH4"	18.033823
"790504"	1314.842623	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+NH4"	18.033823
"1686840"	450.303423	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+NH4"	18.033823
"338398"	441.7901495	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+H+NH4"	19.041099
"734829"	657.9249495	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+H+NH4"	19.041099
"1478806"	225.6553495	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H+NH4"	19.041099
"395178"	887.528418	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+Na"	22.989218
"762130"	1319.798018	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+Na"	22.989218
"1614257"	455.258818	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Na"	22.989218
"324656"	444.267847	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+H+Na"	23.996494
"721206"	660.402647	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+H+Na"	23.996494
"1475878"	228.133047	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H+Na"	23.996494
"1067060"	152.424456666667	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2H+Na"	25.00377
"1271287"	465.303086	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+CH3OH+H"	33.033486
"387672"	903.502358	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+K"	38.963158
"751944"	1335.771958	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+K"	38.963158
"1548528"	471.232758	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+K"	38.963158
"301328"	452.254817	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+H+K"	39.970434
"693749"	668.389617	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+H+K"	39.970434
"1451948"	236.120017	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H+K"	39.970434
"242736"	906.573026	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+ACN+H"	42.033826
"1215443"	474.303426	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+ACN+H"	42.033826
"1199327"	237.655351	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+ACN+2H"	43.041102
"193290"	909.51036	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+2Na-H"	44.97116
"633946"	1341.77996	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+2Na-H"	44.97116
"1144752"	477.24076	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2Na-H"	44.97116
"185129"	455.258818	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+2Na"	45.978436
"619221"	671.393618	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+2Na"	45.978436
"1130631"	239.124018	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2Na"	45.978436
"1406252"	159.751770666667	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H+2Na"	46.985712
"1440554"	479.282346	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H+HCOOH"	47.012746
"235495"	460.29184	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+3H2O+2H"	56.04448
"1523424"	493.33439	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+IsoProp+H"	61.06479
"424056"	463.245788	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+Na+K"	61.952376
"785328"	679.380588	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+Na+K"	61.952376
"1680815"	247.110988	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Na+K"	61.952376
"266728"	928.554968	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+ACN+Na"	64.015768
"1240530"	496.285368	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+ACN+Na"	64.015768
"1728204"	496.308893	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+NH4+HCOOH"	64.039293
"1192947"	167.079084666667	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+3Na"	68.967654
"1664541"	501.264288	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Na+HCOOH"	68.994688
"170309"	941.45824	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+2K-H"	76.91904
"611324"	1373.72784	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+2K-H"	76.91904
"1099113"	509.18864	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2K-H"	76.91904
"154471"	471.232758	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"2M+2K"	77.926316
"595737"	687.367558	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"3M+2K"	77.926316
"1083167"	255.097958	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2K"	77.926316
"1111395"	511.203192	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2K+H"	78.933592
"1347419"	511.290807	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+DMSO+H"	79.021207
"1019472"	515.329976	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2ACN+H"	83.060376
"1538325"	516.323608	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+IsoProp+Na+H"	84.054008
"1004409"	258.168626	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+2ACN+2H"	84.067652
"1601586"	517.238228	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+K+HCOOH"	84.968628
"1428580"	547.269738	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+H+CF3COOH"	115.000138
"1162720"	278.681901	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+3ACN+2H"	125.094202
"1708536"	564.296285	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+NH4+CF3COOH"	132.026685
"1640906"	569.25168	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+Na+CF3COOH"	136.98208
"1582024"	585.22562	"C17979"	"Formimidoyl-fortimicin A;Dactimicin;SF-2052"	"C18H36N6O6"	"432.2696"	"M+K+CF3COOH"	152.95602
"811297"	432.2696	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M"	0
"979362"	413.25121	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-H2O-H"	-19.01839
"71978"	287.172457333333	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M-3H"	-3.021828
"510444"	431.262324	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M-3H"	-3.021828
"886057"	143.082590666667	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-3H"	-3.021828
"9008"	431.262324	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M-2H"	-2.014552
"449660"	647.397124	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M-2H"	-2.014552
"828559"	215.127524	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-2H"	-2.014552
"92926"	863.531924	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M-H"	-1.007276
"529207"	1295.801524	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M-H"	-1.007276
"908467"	431.262324	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-H"	-1.007276
"58836"	880.558471	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M-2H+NH4"	16.019271
"500219"	1312.828071	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M-2H+NH4"	16.019271
"878384"	448.288871	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-2H+NH4"	16.019271
"42272"	885.513866	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M-2H+Na"	20.974666
"476365"	1317.783466	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M-2H+Na"	20.974666
"859635"	453.244266	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-2H+Na"	20.974666
"1628075"	453.244266	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Na-2H"	20.974666
"101325"	449.250663	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M-H+Cl"	33.962126
"541978"	665.385463	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M-H+Cl"	33.962126
"935494"	233.115863	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-H+Cl"	33.962126
"276237"	899.508602	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+Cl"	34.969402
"663192"	1331.778202	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+Cl"	34.969402
"1274503"	467.239002	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Cl"	34.969402
"18884"	901.487806	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M-2H+K"	36.948606
"466469"	1333.757406	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M-2H+K"	36.948606
"843907"	469.218206	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-2H+K"	36.948606
"1564480"	469.218206	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+K-2H"	36.948606
"949082"	477.267794	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-H+HCOOH"	44.998194
"367293"	909.537401	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+HCOOH-H"	44.998201
"355554"	923.553051	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+Hac-H"	59.013851
"1496729"	491.283451	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Hac-H"	59.013851
"963177"	499.249751	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-H+NaCOOH"	66.980151
"117552"	467.239002	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+2Cl"	69.938804
"558208"	683.373802	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+2Cl"	69.938804
"1030288"	251.104202	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2Cl"	69.938804
"1253147"	511.188485	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Br"	78.918885
"1313412"	513.244472	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Cl+HCOOH"	80.974872
"1333102"	535.226429	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Cl+NaCOOH"	102.956829
"924157"	545.255186	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M-H+CF3COOH"	112.985586
"1300498"	581.231864	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Cl+CF3COOH"	148.962264
"1380848"	397.256924	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H-2H2O"	-35.012676
"1393240"	415.2669	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H-H2O"	-17.0027
"294021"	865.546476	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+H"	1.007276
"688995"	1297.816076	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+H"	1.007276
"1360603"	433.276876	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H"	1.007276
"132398"	433.276876	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+2H"	2.014552
"575244"	649.411676	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+2H"	2.014552
"1046232"	217.142076	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2H"	2.014552
"213037"	289.187009333333	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+3H"	3.021828
"651503"	433.276876	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+3H"	3.021828
"1169629"	145.097142666667	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+3H"	3.021828
"433997"	882.573023	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+NH4"	18.033823
"791713"	1314.842623	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+NH4"	18.033823
"1690234"	450.303423	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+NH4"	18.033823
"338509"	441.7901495	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+H+NH4"	19.041099
"732023"	657.9249495	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+H+NH4"	19.041099
"1489129"	225.6553495	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H+NH4"	19.041099
"397964"	887.528418	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+Na"	22.989218
"763336"	1319.798018	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+Na"	22.989218
"1615824"	455.258818	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Na"	22.989218
"326954"	444.267847	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+H+Na"	23.996494
"721438"	660.402647	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+H+Na"	23.996494
"1476475"	228.133047	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H+Na"	23.996494
"1067899"	152.424456666667	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2H+Na"	25.00377
"1272005"	465.303086	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+CH3OH+H"	33.033486
"391064"	903.502358	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+K"	38.963158
"753392"	1335.771958	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+K"	38.963158
"1546451"	471.232758	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+K"	38.963158
"301438"	452.254817	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+H+K"	39.970434
"699326"	668.389617	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+H+K"	39.970434
"1447675"	236.120017	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H+K"	39.970434
"239923"	906.573026	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+ACN+H"	42.033826
"1212272"	474.303426	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+ACN+H"	42.033826
"1198344"	237.655351	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+ACN+2H"	43.041102
"192307"	909.51036	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+2Na-H"	44.97116
"634056"	1341.77996	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+2Na-H"	44.97116
"1145227"	477.24076	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2Na-H"	44.97116
"188480"	455.258818	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+2Na"	45.978436
"626988"	671.393618	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+2Na"	45.978436
"1131216"	239.124018	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2Na"	45.978436
"1407455"	159.751770666667	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H+2Na"	46.985712
"1440664"	479.282346	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H+HCOOH"	47.012746
"235390"	460.29184	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+3H2O+2H"	56.04448
"1521711"	493.33439	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+IsoProp+H"	61.06479
"424065"	463.245788	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+Na+K"	61.952376
"785601"	679.380588	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+Na+K"	61.952376
"1680669"	247.110988	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Na+K"	61.952376
"266596"	928.554968	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+ACN+Na"	64.015768
"1240965"	496.285368	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+ACN+Na"	64.015768
"1728274"	496.308893	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+NH4+HCOOH"	64.039293
"1193666"	167.079084666667	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+3Na"	68.967654
"1664651"	501.264288	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Na+HCOOH"	68.994688
"168959"	941.45824	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+2K-H"	76.91904
"611434"	1373.72784	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+2K-H"	76.91904
"1098128"	509.18864	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2K-H"	76.91904
"155557"	471.232758	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"2M+2K"	77.926316
"593051"	687.367558	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"3M+2K"	77.926316
"1082304"	255.097958	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2K"	77.926316
"1113693"	511.203192	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2K+H"	78.933592
"1349352"	511.290807	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+DMSO+H"	79.021207
"1021085"	515.329976	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2ACN+H"	83.060376
"1538555"	516.323608	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+IsoProp+Na+H"	84.054008
"1005605"	258.168626	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+2ACN+2H"	84.067652
"1602632"	517.238228	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+K+HCOOH"	84.968628
"1428811"	547.269738	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+H+CF3COOH"	115.000138
"1162583"	278.681901	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+3ACN+2H"	125.094202
"1711925"	564.296285	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+NH4+CF3COOH"	132.026685
"1648666"	569.25168	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+Na+CF3COOH"	136.98208
"1582134"	585.22562	"C17980"	"1-Epidactimicin"	"C18H36N6O6"	"432.2696"	"M+K+CF3COOH"	152.95602
"812500"	324.1533	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M"	0
"976192"	305.13491	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-H2O-H"	-19.01839
"67713"	215.094924	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M-3H"	-3.021828
"508364"	323.146024	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M-3H"	-3.021828
"883980"	107.043824	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-3H"	-3.021828
"6930"	323.146024	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M-2H"	-2.014552
"446490"	485.222674	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M-2H"	-2.014552
"828669"	161.069374	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-2H"	-2.014552
"85380"	647.299324	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M-H"	-1.007276
"528224"	971.452624	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M-H"	-1.007276
"903840"	323.146024	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-H"	-1.007276
"54935"	664.325871	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M-2H+NH4"	16.019271
"495586"	988.479171	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M-2H+NH4"	16.019271
"873388"	340.172571	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-2H+NH4"	16.019271
"40196"	669.281266	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M-2H+Na"	20.974666
"475382"	993.434566	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M-2H+Na"	20.974666
"855370"	345.127966	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-2H+Na"	20.974666
"1621624"	345.127966	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Na-2H"	20.974666
"98153"	341.134363	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M-H+Cl"	33.962126
"535888"	503.211013	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M-H+Cl"	33.962126
"932322"	179.057713	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-H+Cl"	33.962126
"269786"	683.276002	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+Cl"	34.969402
"660667"	1007.429302	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+Cl"	34.969402
"1273476"	359.122702	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Cl"	34.969402
"16318"	685.255206	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M-2H+K"	36.948606
"460014"	1009.408506	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M-2H+K"	36.948606
"836722"	361.101906	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-2H+K"	36.948606
"1562399"	361.101906	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+K-2H"	36.948606
"949189"	369.151494	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-H+HCOOH"	44.998194
"364851"	693.304801	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+HCOOH-H"	44.998201
"351289"	707.320451	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+Hac-H"	59.013851
"1497568"	383.167151	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Hac-H"	59.013851
"963287"	391.133451	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-H+NaCOOH"	66.980151
"115109"	359.122702	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+2Cl"	69.938804
"550089"	521.199352	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+2Cl"	69.938804
"1021368"	197.046052	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2Cl"	69.938804
"1241706"	403.072185	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Br"	78.918885
"1315709"	405.128172	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Cl+HCOOH"	80.974872
"1333939"	427.110129	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Cl+NaCOOH"	102.956829
"924268"	437.138886	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M-H+CF3COOH"	112.985586
"1300973"	473.115564	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Cl+CF3COOH"	148.962264
"1376946"	289.140624	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H-2H2O"	-35.012676
"1393350"	307.1506	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H-H2O"	-17.0027
"294131"	649.313876	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+H"	1.007276
"689469"	973.467176	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+H"	1.007276
"1360713"	325.160576	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H"	1.007276
"130686"	325.160576	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+2H"	2.014552
"572073"	487.237226	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+2H"	2.014552
"1045248"	163.083926	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2H"	2.014552
"212053"	217.109476	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+3H"	3.021828
"645052"	325.160576	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+3H"	3.021828
"1168646"	109.058376	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+3H"	3.021828
"429730"	666.340423	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+NH4"	18.033823
"792913"	990.493723	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+NH4"	18.033823
"1683044"	342.187123	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+NH4"	18.033823
"335335"	333.6738495	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+H+NH4"	19.041099
"727754"	495.7504995	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+H+NH4"	19.041099
"1484863"	171.5971995	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H+NH4"	19.041099
"398074"	671.295818	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+Na"	22.989218
"762353"	995.449118	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+Na"	22.989218
"1610450"	347.142518	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Na"	22.989218
"328157"	336.151547	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+H+Na"	23.996494
"720943"	498.228197	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+H+Na"	23.996494
"1474768"	174.074897	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H+Na"	23.996494
"1066791"	116.38569	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2H+Na"	25.00377
"1271387"	357.186786	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+CH3OH+H"	33.033486
"388623"	687.269758	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+K"	38.963158
"747791"	1011.423058	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+K"	38.963158
"1545468"	363.116458	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+K"	38.963158
"300819"	344.138517	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+H+K"	39.970434
"699436"	506.215167	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+H+K"	39.970434
"1449973"	182.061867	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H+K"	39.970434
"240762"	690.340426	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+ACN+H"	42.033826
"1213474"	366.187126	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+ACN+H"	42.033826
"1198454"	183.597201	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+ACN+2H"	43.041102
"194603"	693.27776	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+2Na-H"	44.97116
"635259"	1017.43106	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+2Na-H"	44.97116
"1145337"	369.12446	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2Na-H"	44.97116
"186447"	347.142518	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+2Na"	45.978436
"624909"	509.219168	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+2Na"	45.978436
"1126956"	185.065868	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2Na"	45.978436
"1405376"	123.713004	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H+2Na"	46.985712
"1437491"	371.166046	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H+HCOOH"	47.012746
"228282"	352.17554	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+3H2O+2H"	56.04448
"1517437"	385.21809	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+IsoProp+H"	61.06479
"421500"	355.129488	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+Na+K"	61.952376
"782497"	517.206138	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+Na+K"	61.952376
"1680656"	193.052838	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Na+K"	61.952376
"260975"	712.322368	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+ACN+Na"	64.015768
"1236964"	388.169068	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+ACN+Na"	64.015768
"1726223"	388.192593	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+NH4+HCOOH"	64.039293
"1193396"	131.040318	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+3Na"	68.967654
"1662928"	393.147988	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Na+HCOOH"	68.994688
"171250"	725.22564	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+2K-H"	76.91904
"611179"	1049.37894	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+2K-H"	76.91904
"1098475"	401.07234	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2K-H"	76.91904
"151036"	363.116458	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"2M+2K"	77.926316
"592785"	525.193108	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"3M+2K"	77.926316
"1082046"	201.039808	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2K"	77.926316
"1110514"	403.086892	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2K+H"	78.933592
"1348003"	403.174507	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+DMSO+H"	79.021207
"1019815"	407.213676	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2ACN+H"	83.060376
"1538909"	408.207308	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+IsoProp+Na+H"	84.054008
"1004748"	204.110476	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+2ACN+2H"	84.067652
"1602643"	409.121928	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+K+HCOOH"	84.968628
"1429805"	439.153438	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+H+CF3COOH"	115.000138
"1161395"	224.623751	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+3ACN+2H"	125.094202
"1710942"	456.179985	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+NH4+CF3COOH"	132.026685
"1646591"	461.13538	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+Na+CF3COOH"	136.98208
"1582244"	477.10932	"C17981"	"Istamycin FU-10"	"C12H24N2O8"	"324.1533"	"M+K+CF3COOH"	152.95602
"804955"	337.1849	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M"	0
"977393"	318.16651	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-H2O-H"	-19.01839
"68913"	223.782657333333	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M-3H"	-3.021828
"504463"	336.177624	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M-3H"	-3.021828
"884089"	111.387690666667	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-3H"	-3.021828
"1571"	336.177624	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M-2H"	-2.014552
"441132"	504.770074	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M-2H"	-2.014552
"828779"	167.585174	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-2H"	-2.014552
"87674"	673.362524	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M-H"	-1.007276
"529063"	1010.547424	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M-H"	-1.007276
"906136"	336.177624	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-H"	-1.007276
"59053"	690.389071	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M-2H+NH4"	16.019271
"495696"	1027.573971	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M-2H+NH4"	16.019271
"874591"	353.204171	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-2H+NH4"	16.019271
"42492"	695.344466	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M-2H+Na"	20.974666
"476585"	1032.529366	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M-2H+Na"	20.974666
"854387"	358.159566	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-2H+Na"	20.974666
"1621734"	358.159566	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Na-2H"	20.974666
"98263"	354.165963	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M-H+Cl"	33.962126
"534737"	522.758413	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M-H+Cl"	33.962126
"932432"	185.573513	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-H+Cl"	33.962126
"269896"	709.339202	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+Cl"	34.969402
"661588"	1046.524102	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+Cl"	34.969402
"1273376"	372.154302	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Cl"	34.969402
"17646"	711.318406	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M-2H+K"	36.948606
"460124"	1048.503306	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M-2H+K"	36.948606
"833792"	374.133506	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-2H+K"	36.948606
"1563602"	374.133506	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+K-2H"	36.948606
"950027"	382.183094	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-H+HCOOH"	44.998194
"366055"	719.368001	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+HCOOH-H"	44.998201
"351763"	733.383651	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+Hac-H"	59.013851
"1498407"	396.198751	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Hac-H"	59.013851
"962667"	404.165051	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-H+NaCOOH"	66.980151
"113031"	372.154302	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+2Cl"	69.938804
"550766"	540.746752	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+2Cl"	69.938804
"1021473"	203.561852	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2Cl"	69.938804
"1241363"	416.103785	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Br"	78.918885
"1316912"	418.159772	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Cl+HCOOH"	80.974872
"1334416"	440.141729	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Cl+NaCOOH"	102.956829
"924257"	450.170486	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M-H+CF3COOH"	112.985586
"1301083"	486.147164	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Cl+CF3COOH"	148.962264
"1377056"	302.172224	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H-2H2O"	-35.012676
"1393460"	320.1822	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H-H2O"	-17.0027
"290960"	675.377076	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+H"	1.007276
"690672"	1012.561976	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+H"	1.007276
"1357543"	338.192176	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H"	1.007276
"127880"	338.192176	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+2H"	2.014552
"574370"	506.784626	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+2H"	2.014552
"1048638"	169.599726	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2H"	2.014552
"213256"	225.797209333333	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+3H"	3.021828
"646255"	338.192176	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+3H"	3.021828
"1169849"	113.402242666667	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+3H"	3.021828
"429840"	692.403623	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+NH4"	18.033823
"794116"	1029.588523	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+NH4"	18.033823
"1682667"	355.218723	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+NH4"	18.033823
"335444"	346.7054495	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+H+NH4"	19.041099
"726771"	515.2978995	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+H+NH4"	19.041099
"1482786"	178.1129995	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H+NH4"	19.041099
"397090"	697.359018	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+Na"	22.989218
"763556"	1034.543918	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+Na"	22.989218
"1607279"	360.174118	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Na"	22.989218
"327540"	349.183147	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+H+Na"	23.996494
"720937"	517.775597	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+H+Na"	23.996494
"1475241"	180.590697	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H+Na"	23.996494
"1066294"	120.729556666667	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2H+Na"	25.00377
"1271981"	370.218386	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+CH3OH+H"	33.033486
"390555"	713.332958	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+K"	38.963158
"747901"	1050.517858	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+K"	38.963158
"1546670"	376.148058	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+K"	38.963158
"300197"	357.170117	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+H+K"	39.970434
"697359"	525.762567	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+H+K"	39.970434
"1451174"	188.577667	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H+K"	39.970434
"240872"	716.403626	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+ACN+H"	42.033826
"1215764"	379.218726	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+ACN+H"	42.033826
"1197829"	190.113001	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+ACN+2H"	43.041102
"193977"	719.34096	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+2Na-H"	44.97116
"636452"	1056.52586	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+2Na-H"	44.97116
"1146056"	382.15606	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2Na-H"	44.97116
"186551"	360.174118	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+2Na"	45.978436
"626841"	528.766568	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+2Na"	45.978436
"1128888"	191.581668	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2Na"	45.978436
"1406579"	128.056870666667	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H+2Na"	46.985712
"1437601"	384.197646	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H+HCOOH"	47.012746
"228392"	365.20714	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+3H2O+2H"	56.04448
"1517547"	398.24969	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+IsoProp+H"	61.06479
"421610"	368.161088	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+Na+K"	61.952376
"782607"	536.753538	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+Na+K"	61.952376
"1678938"	199.568638	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Na+K"	61.952376
"264363"	738.385568	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+ACN+Na"	64.015768
"1239259"	401.200668	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+ACN+Na"	64.015768
"1724875"	401.224193	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+NH4+HCOOH"	64.039293
"1192049"	135.384184666667	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+3Na"	68.967654
"1661582"	406.179588	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Na+HCOOH"	68.994688
"169538"	751.28884	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+2K-H"	76.91904
"610924"	1088.47374	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+2K-H"	76.91904
"1097614"	414.10394	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2K-H"	76.91904
"153332"	376.148058	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"2M+2K"	77.926316
"592894"	544.740508	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"3M+2K"	77.926316
"1079240"	207.555608	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2K"	77.926316
"1111354"	416.118492	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2K+H"	78.933592
"1350302"	416.206107	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+DMSO+H"	79.021207
"1020046"	420.245276	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2ACN+H"	83.060376
"1538655"	421.238908	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+IsoProp+Na+H"	84.054008
"1004374"	210.626276	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+2ACN+2H"	84.067652
"1602160"	422.153528	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+K+HCOOH"	84.968628
"1429644"	452.185038	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+H+CF3COOH"	115.000138
"1162356"	231.139551	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+3ACN+2H"	125.094202
"1711052"	469.211585	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+NH4+CF3COOH"	132.026685
"1646701"	474.16698	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+Na+CF3COOH"	136.98208
"1582354"	490.14092	"C17982"	"Istamycin AO"	"C13H27N3O7"	"337.1849"	"M+K+CF3COOH"	152.95602
"806159"	336.2009	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M"	0
"979691"	317.18251	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-H2O-H"	-19.01839
"66839"	223.126657333333	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M-3H"	-3.021828
"506396"	335.193624	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M-3H"	-3.021828
"882378"	111.059690666667	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-3H"	-3.021828
"342"	335.193624	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M-2H"	-2.014552
"441606"	503.294074	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M-2H"	-2.014552
"827796"	167.093174	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-2H"	-2.014552
"83411"	671.394524	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M-H"	-1.007276
"530630"	1007.595424	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M-H"	-1.007276
"906976"	335.193624	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-H"	-1.007276
"59527"	688.421071	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M-2H+NH4"	16.019271
"495806"	1024.621971	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M-2H+NH4"	16.019271
"874701"	352.220171	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-2H+NH4"	16.019271
"42602"	693.376466	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M-2H+Na"	20.974666
"476695"	1029.577366	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M-2H+Na"	20.974666
"855590"	357.175566	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-2H+Na"	20.974666
"1620020"	357.175566	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Na-2H"	20.974666
"98373"	353.181963	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M-H+Cl"	33.962126
"534443"	521.282413	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M-H+Cl"	33.962126
"927551"	185.081513	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-H+Cl"	33.962126
"267442"	707.371202	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+Cl"	34.969402
"660478"	1043.572102	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+Cl"	34.969402
"1273241"	371.170302	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Cl"	34.969402
"21036"	709.350406	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M-2H+K"	36.948606
"461327"	1045.551306	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M-2H+K"	36.948606
"834024"	373.149506	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-2H+K"	36.948606
"1563712"	373.149506	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+K-2H"	36.948606
"951595"	381.199094	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-H+HCOOH"	44.998194
"369811"	717.400001	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+HCOOH-H"	44.998201
"351509"	731.415651	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+Hac-H"	59.013851
"1501433"	395.214751	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Hac-H"	59.013851
"965695"	403.181051	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-H+NaCOOH"	66.980151
"113141"	371.170302	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+2Cl"	69.938804
"553066"	539.270752	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+2Cl"	69.938804
"1021656"	203.069852	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2Cl"	69.938804
"1241799"	415.119785	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Br"	78.918885
"1313740"	417.175772	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Cl+HCOOH"	80.974872
"1327956"	439.157729	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Cl+NaCOOH"	102.956829
"922297"	449.186486	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M-H+CF3COOH"	112.985586
"1301193"	485.163164	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Cl+CF3COOH"	148.962264
"1376802"	301.188224	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H-2H2O"	-35.012676
"1385548"	319.1982	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H-H2O"	-17.0027
"285602"	673.409076	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+H"	1.007276
"680208"	1009.609976	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+H"	1.007276
"1353641"	337.208176	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H"	1.007276
"127621"	337.208176	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+2H"	2.014552
"566568"	505.308626	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+2H"	2.014552
"1040359"	169.107726	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2H"	2.014552
"205465"	225.141209333333	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+3H"	3.021828
"644239"	337.208176	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+3H"	3.021828
"1163517"	113.074242666667	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+3H"	3.021828
"424681"	690.435623	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+NH4"	18.033823
"786200"	1026.636523	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+NH4"	18.033823
"1686173"	354.234723	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+NH4"	18.033823
"333724"	345.7214495	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+H+NH4"	19.041099
"722851"	513.8218995	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+H+NH4"	19.041099
"1481795"	177.6209995	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H+NH4"	19.041099
"393021"	695.391018	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+Na"	22.989218
"757454"	1031.591918	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+Na"	22.989218
"1607387"	359.190118	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Na"	22.989218
"321801"	348.199147	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+H+Na"	23.996494
"721886"	516.299597	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+H+Na"	23.996494
"1476441"	180.098697	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H+Na"	23.996494
"1065676"	120.401556666667	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2H+Na"	25.00377
"1271726"	369.234386	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+CH3OH+H"	33.033486
"391394"	711.364958	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+K"	38.963158
"748011"	1047.565858	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+K"	38.963158
"1545687"	375.164058	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+K"	38.963158
"299943"	356.186117	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+H+K"	39.970434
"693458"	524.286567	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+H+K"	39.970434
"1448006"	188.085667	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H+K"	39.970434
"242072"	714.435626	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+ACN+H"	42.033826
"1216968"	378.234726	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+ACN+H"	42.033826
"1199759"	189.621001	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+ACN+2H"	43.041102
"191538"	717.37296	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+2Na-H"	44.97116
"633283"	1053.57386	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+2Na-H"	44.97116
"1145190"	381.17206	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2Na-H"	44.97116
"188371"	359.190118	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+2Na"	45.978436
"626951"	527.290568	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+2Na"	45.978436
"1129362"	191.089668	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2Na"	45.978436
"1406687"	127.728870666667	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H+2Na"	46.985712
"1436617"	383.213646	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H+HCOOH"	47.012746
"227408"	364.22314	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+3H2O+2H"	56.04448
"1517655"	397.26569	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+IsoProp+H"	61.06479
"419533"	367.177088	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+Na+K"	61.952376
"782716"	535.277538	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+Na+K"	61.952376
"1680020"	199.076638	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Na+K"	61.952376
"264473"	736.417568	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+ACN+Na"	64.015768
"1238275"	400.216668	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+ACN+Na"	64.015768
"1725351"	400.240193	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+NH4+HCOOH"	64.039293
"1191066"	135.056184666667	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+3Na"	68.967654
"1663508"	405.195588	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Na+HCOOH"	68.994688
"170375"	749.32084	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+2K-H"	76.91904
"610659"	1085.52174	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+2K-H"	76.91904
"1097599"	413.11994	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2K-H"	76.91904
"153442"	375.164058	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"2M+2K"	77.926316
"589724"	543.264508	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"3M+2K"	77.926316
"1079350"	207.063608	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2K"	77.926316
"1110006"	415.134492	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2K+H"	78.933592
"1350777"	415.222107	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+DMSO+H"	79.021207
"1018091"	419.261276	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2ACN+H"	83.060376
"1538644"	420.254908	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+IsoProp+Na+H"	84.054008
"1004606"	210.134276	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+2ACN+2H"	84.067652
"1602277"	421.169528	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+K+HCOOH"	84.968628
"1429794"	451.201038	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+H+CF3COOH"	115.000138
"1161252"	230.647551	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+3ACN+2H"	125.094202
"1711162"	468.227585	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+NH4+CF3COOH"	132.026685
"1647904"	473.18298	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+Na+CF3COOH"	136.98208
"1579183"	489.15692	"C17983"	"Istamycin KL1"	"C13H28N4O6"	"336.2009"	"M+K+CF3COOH"	152.95602
"807361"	304.2111	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M"	0
"981987"	285.19271	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-H2O-H"	-19.01839
"70228"	201.800124	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M-3H"	-3.021828
"507600"	303.203824	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M-3H"	-3.021828
"885403"	100.396424	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-3H"	-3.021828
"2884"	303.203824	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M-2H"	-2.014552
"446820"	455.309374	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M-2H"	-2.014552
"823530"	151.098274	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-2H"	-2.014552
"80241"	607.414924	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M-H"	-1.007276
"528553"	911.626024	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M-H"	-1.007276
"910494"	303.203824	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-H"	-1.007276
"60731"	624.441471	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M-2H+NH4"	16.019271
"500293"	928.652571	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M-2H+NH4"	16.019271
"871531"	320.230371	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-2H+NH4"	16.019271
"39433"	629.396866	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M-2H+Na"	20.974666
"480087"	933.607966	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M-2H+Na"	20.974666
"852420"	325.185766	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-2H+Na"	20.974666
"1619888"	325.185766	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Na-2H"	20.974666
"98483"	321.192163	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M-H+Cl"	33.962126
"534390"	473.297713	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M-H+Cl"	33.962126
"927505"	169.086613	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-H+Cl"	33.962126
"267799"	643.391602	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+Cl"	34.969402
"660956"	947.602702	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+Cl"	34.969402
"1273516"	339.180502	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Cl"	34.969402
"20782"	645.370806	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M-2H+K"	36.948606
"456817"	949.581906	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M-2H+K"	36.948606
"834255"	341.159706	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-2H+K"	36.948606
"1570388"	341.159706	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+K-2H"	36.948606
"952802"	349.209294	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-H+HCOOH"	44.998194
"371014"	653.420401	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+HCOOH-H"	44.998201
"353805"	667.436051	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+Hac-H"	59.013851
"1500450"	363.224951	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Hac-H"	59.013851
"965805"	371.191251	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-H+NaCOOH"	66.980151
"112523"	339.180502	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+2Cl"	69.938804
"552448"	491.286052	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+2Cl"	69.938804
"1022336"	187.074952	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2Cl"	69.938804
"1242279"	383.129985	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Br"	78.918885
"1314943"	385.185972	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Cl+HCOOH"	80.974872
"1328066"	407.167929	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Cl+NaCOOH"	102.956829
"923500"	417.196686	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M-H+CF3COOH"	112.985586
"1300939"	453.173364	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Cl+CF3COOH"	148.962264
"1376912"	269.198424	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H-2H2O"	-35.012676
"1385294"	287.2084	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H-H2O"	-17.0027
"288992"	609.429476	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+H"	1.007276
"679225"	913.640576	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+H"	1.007276
"1352658"	305.218376	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H"	1.007276
"127732"	305.218376	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+2H"	2.014552
"568017"	457.323926	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+2H"	2.014552
"1040105"	153.112826	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2H"	2.014552
"205940"	203.814676	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+3H"	3.021828
"644281"	305.218376	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+3H"	3.021828
"1163990"	102.410976	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+3H"	3.021828
"424339"	626.456023	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+NH4"	18.033823
"787040"	930.667123	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+NH4"	18.033823
"1686283"	322.244923	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+NH4"	18.033823
"334561"	313.7316495	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+H+NH4"	19.041099
"724799"	465.8371995	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+H+NH4"	19.041099
"1480812"	161.6260995	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H+NH4"	19.041099
"394023"	631.411418	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+Na"	22.989218
"757564"	935.622518	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+Na"	22.989218
"1606404"	327.200318	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Na"	22.989218
"323004"	316.209347	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+H+Na"	23.996494
"719813"	468.314897	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+H+Na"	23.996494
"1474724"	164.103797	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H+Na"	23.996494
"1066510"	109.73829	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2H+Na"	25.00377
"1271107"	337.244586	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+CH3OH+H"	33.033486
"389314"	647.385358	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+K"	38.963158
"753224"	951.596458	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+K"	38.963158
"1546891"	343.174258	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+K"	38.963158
"300056"	324.196317	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+H+K"	39.970434
"692837"	476.301867	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+H+K"	39.970434
"1450302"	172.090767	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H+K"	39.970434
"242181"	650.456026	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+ACN+H"	42.033826
"1215255"	346.244926	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+ACN+H"	42.033826
"1197681"	173.626101	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+ACN+2H"	43.041102
"192373"	653.39336	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+2Na-H"	44.97116
"635582"	957.60446	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+2Na-H"	44.97116
"1144572"	349.18226	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2Na-H"	44.97116
"188363"	327.200318	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+2Na"	45.978436
"626697"	479.305868	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+2Na"	45.978436
"1129107"	175.094768	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2Na"	45.978436
"1407890"	117.065604	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H+2Na"	46.985712
"1437820"	351.223846	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H+HCOOH"	47.012746
"226425"	332.23334	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+3H2O+2H"	56.04448
"1516674"	365.27589	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+IsoProp+H"	61.06479
"415265"	335.187288	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+Na+K"	61.952376
"783919"	487.292838	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+Na+K"	61.952376
"1679158"	183.081738	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Na+K"	61.952376
"264584"	672.437968	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+ACN+Na"	64.015768
"1240452"	368.226868	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+ACN+Na"	64.015768
"1727284"	368.250393	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+NH4+HCOOH"	64.039293
"1193005"	124.392918	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+3Na"	68.967654
"1662896"	373.205788	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Na+HCOOH"	68.994688
"172186"	685.34124	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+2K-H"	76.91904
"610038"	989.55234	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+2K-H"	76.91904
"1097708"	381.13014	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2K-H"	76.91904
"148084"	343.174258	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"2M+2K"	77.926316
"586552"	495.279808	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"3M+2K"	77.926316
"1080546"	191.068708	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2K"	77.926316
"1109748"	383.144692	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2K+H"	78.933592
"1350280"	383.232307	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+DMSO+H"	79.021207
"1019901"	387.271476	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2ACN+H"	83.060376
"1538998"	388.265108	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+IsoProp+Na+H"	84.054008
"1002527"	194.139376	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+2ACN+2H"	84.067652
"1598124"	389.179728	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+K+HCOOH"	84.968628
"1427064"	419.211238	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+H+CF3COOH"	115.000138
"1161363"	214.652651	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+3ACN+2H"	125.094202
"1712367"	436.237785	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+NH4+CF3COOH"	132.026685
"1649108"	441.19318	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+Na+CF3COOH"	136.98208
"1579291"	457.16712	"C17984"	"Istamycin AP"	"C13H28N4O4"	"304.2111"	"M+K+CF3COOH"	152.95602
"803099"	318.2267	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M"	0
"974444"	299.20831	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-H2O-H"	-19.01839
"63032"	211.143857333333	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M-3H"	-3.021828
"503160"	317.219424	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M-3H"	-3.021828
"880141"	105.068290666667	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-3H"	-3.021828
"808"	317.219424	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M-2H"	-2.014552
"443651"	476.332774	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M-2H"	-2.014552
"822547"	158.106074	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-2H"	-2.014552
"79379"	635.446124	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M-H"	-1.007276
"528663"	953.672824	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M-H"	-1.007276
"910968"	317.219424	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-H"	-1.007276
"60477"	652.472671	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M-2H+NH4"	16.019271
"500768"	970.699371	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M-2H+NH4"	16.019271
"871641"	334.245971	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-2H+NH4"	16.019271
"39543"	657.428066	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M-2H+Na"	20.974666
"480197"	975.654766	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M-2H+Na"	20.974666
"852530"	339.201366	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-2H+Na"	20.974666
"1618449"	339.201366	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Na-2H"	20.974666
"95313"	335.207763	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M-H+Cl"	33.962126
"534334"	494.321113	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M-H+Cl"	33.962126
"927084"	176.094413	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-H+Cl"	33.962126
"267547"	671.422802	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+Cl"	34.969402
"660005"	989.649502	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+Cl"	34.969402
"1273096"	353.196102	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Cl"	34.969402
"16018"	673.402006	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M-2H+K"	36.948606
"455688"	991.628706	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M-2H+K"	36.948606
"832917"	355.175306	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-2H+K"	36.948606
"1570862"	355.175306	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+K-2H"	36.948606
"955827"	363.224894	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-H+HCOOH"	44.998194
"371124"	681.451601	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+HCOOH-H"	44.998201
"353915"	695.467251	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+Hac-H"	59.013851
"1500560"	377.240551	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Hac-H"	59.013851
"969195"	385.206851	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-H+NaCOOH"	66.980151
"115185"	353.196102	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+2Cl"	69.938804
"552558"	512.309452	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+2Cl"	69.938804
"1021592"	194.082752	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2Cl"	69.938804
"1242510"	397.145585	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Br"	78.918885
"1313960"	399.201572	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Cl+HCOOH"	80.974872
"1328176"	421.183529	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Cl+NaCOOH"	102.956829
"920330"	431.212286	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M-H+CF3COOH"	112.985586
"1301413"	467.188964	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Cl+CF3COOH"	148.962264
"1377386"	283.214024	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H-2H2O"	-35.012676
"1386497"	301.224	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H-H2O"	-17.0027
"288009"	637.460676	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+H"	1.007276
"678606"	955.687376	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+H"	1.007276
"1354591"	319.233976	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H"	1.007276
"128571"	319.233976	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+2H"	2.014552
"567398"	478.347326	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+2H"	2.014552
"1041308"	160.120626	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2H"	2.014552
"205929"	213.158409333333	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+3H"	3.021828
"644634"	319.233976	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+3H"	3.021828
"1163858"	107.082842666667	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+3H"	3.021828
"424696"	654.487223	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+NH4"	18.033823
"787150"	972.713923	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+NH4"	18.033823
"1686394"	336.260523	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+NH4"	18.033823
"333578"	327.7472495	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+H+NH4"	19.041099
"727460"	486.8605995	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+H+NH4"	19.041099
"1478736"	168.6338995	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H+NH4"	19.041099
"394133"	659.442618	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+Na"	22.989218
"758404"	977.669318	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+Na"	22.989218
"1605784"	341.215918	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Na"	22.989218
"322021"	330.224947	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+H+Na"	23.996494
"716630"	489.338297	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+H+Na"	23.996494
"1473741"	171.111597	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H+Na"	23.996494
"1066983"	114.410156666667	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2H+Na"	25.00377
"1271580"	351.260186	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+CH3OH+H"	33.033486
"389424"	675.416558	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+K"	38.963158
"748231"	993.643258	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+K"	38.963158
"1547002"	357.189858	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+K"	38.963158
"306364"	338.211917	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+H+K"	39.970434
"692952"	497.325267	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+H+K"	39.970434
"1446036"	179.098567	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H+K"	39.970434
"240104"	678.487226	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+ACN+H"	42.033826
"1215000"	360.260526	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+ACN+H"	42.033826
"1198153"	180.633901	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+ACN+2H"	43.041102
"192848"	681.42456	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+2Na-H"	44.97116
"630589"	999.65126	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+2Na-H"	44.97116
"1143585"	363.19786	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2Na-H"	44.97116
"186876"	341.215918	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+2Na"	45.978436
"626441"	500.329268	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+2Na"	45.978436
"1129580"	182.102568	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2Na"	45.978436
"1405814"	121.737470666667	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H+2Na"	46.985712
"1437930"	365.239446	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H+HCOOH"	47.012746
"226534"	346.24894	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+3H2O+2H"	56.04448
"1515691"	379.29149	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+IsoProp+H"	61.06479
"415375"	349.202888	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+Na+K"	61.952376
"773087"	508.316238	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+Na+K"	61.952376
"1677082"	190.089538	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Na+K"	61.952376
"263601"	700.469168	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+ACN+Na"	64.015768
"1235215"	382.242468	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+ACN+Na"	64.015768
"1727262"	382.265993	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+NH4+HCOOH"	64.039293
"1193355"	129.064784666667	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+3Na"	68.967654
"1663733"	387.221388	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Na+HCOOH"	68.994688
"172050"	713.37244	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+2K-H"	76.91904
"609784"	1031.59914	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+2K-H"	76.91904
"1097697"	395.14574	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2K-H"	76.91904
"148194"	357.189858	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"2M+2K"	77.926316
"585569"	516.303208	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"3M+2K"	77.926316
"1077741"	198.076508	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2K"	77.926316
"1110586"	397.160292	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2K+H"	78.933592
"1349902"	397.247907	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+DMSO+H"	79.021207
"1019890"	401.287076	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2ACN+H"	83.060376
"1538744"	402.280708	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+IsoProp+Na+H"	84.054008
"1001909"	201.147176	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+2ACN+2H"	84.067652
"1597141"	403.195328	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+K+HCOOH"	84.968628
"1426080"	433.226838	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+H+CF3COOH"	115.000138
"1159286"	221.660451	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+3ACN+2H"	125.094202
"1712112"	450.253385	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+NH4+CF3COOH"	132.026685
"1649667"	455.20878	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+Na+CF3COOH"	136.98208
"1579401"	471.18272	"C17985"	"Istamycin Y0"	"C14H30N4O4"	"318.2267"	"M+K+CF3COOH"	152.95602
"803209"	318.2267	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M"	0
"974875"	299.20831	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-H2O-H"	-19.01839
"64250"	211.143857333333	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M-3H"	-3.021828
"503240"	317.219424	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M-3H"	-3.021828
"881615"	105.068290666667	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-3H"	-3.021828
"2011"	317.219424	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M-2H"	-2.014552
"444854"	476.332774	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M-2H"	-2.014552
"823750"	158.106074	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-2H"	-2.014552
"79368"	635.446124	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M-H"	-1.007276
"528773"	953.672824	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M-H"	-1.007276
"909864"	317.219424	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-H"	-1.007276
"61686"	652.472671	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M-2H+NH4"	16.019271
"500758"	970.699371	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M-2H+NH4"	16.019271
"872844"	334.245971	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-2H+NH4"	16.019271
"39653"	657.428066	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M-2H+Na"	20.974666
"480307"	975.654766	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M-2H+Na"	20.974666
"852640"	339.201366	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-2H+Na"	20.974666
"1618599"	339.201366	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Na-2H"	20.974666
"98704"	335.207763	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M-H+Cl"	33.962126
"534366"	494.321113	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M-H+Cl"	33.962126
"927237"	176.094413	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-H+Cl"	33.962126
"269239"	671.422802	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+Cl"	34.969402
"660024"	989.649502	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+Cl"	34.969402
"1274549"	353.196102	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Cl"	34.969402
"16375"	673.402006	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M-2H+K"	36.948606
"455971"	991.628706	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M-2H+K"	36.948606
"833380"	355.175306	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-2H+K"	36.948606
"1560030"	355.175306	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+K-2H"	36.948606
"955937"	363.224894	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-H+HCOOH"	44.998194
"367954"	681.451601	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+HCOOH-H"	44.998201
"348918"	695.467251	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+Hac-H"	59.013851
"1500670"	377.240551	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Hac-H"	59.013851
"969305"	385.206851	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-H+NaCOOH"	66.980151
"115659"	353.196102	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+2Cl"	69.938804
"552668"	512.309452	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+2Cl"	69.938804
"1021465"	194.082752	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2Cl"	69.938804
"1242135"	397.145585	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Br"	78.918885
"1311884"	399.201572	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Cl+HCOOH"	80.974872
"1328289"	421.183529	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Cl+NaCOOH"	102.956829
"919347"	431.212286	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M-H+CF3COOH"	112.985586
"1301888"	467.188964	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Cl+CF3COOH"	148.962264
"1374216"	283.214024	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H-2H2O"	-35.012676
"1385514"	301.224	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H-H2O"	-17.0027
"283739"	637.460676	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+H"	1.007276
"678352"	955.687376	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+H"	1.007276
"1354701"	319.233976	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H"	1.007276
"126857"	319.233976	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+2H"	2.014552
"569333"	478.347326	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+2H"	2.014552
"1040325"	160.120626	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2H"	2.014552
"207133"	213.158409333333	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+3H"	3.021828
"644351"	319.233976	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+3H"	3.021828
"1165913"	107.082842666667	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+3H"	3.021828
"424807"	654.487223	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+NH4"	18.033823
"789079"	972.713923	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+NH4"	18.033823
"1686504"	336.260523	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+NH4"	18.033823
"332958"	327.7472495	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+H+NH4"	19.041099
"727205"	486.8605995	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+H+NH4"	19.041099
"1478967"	168.6338995	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H+NH4"	19.041099
"393878"	659.442618	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+Na"	22.989218
"755356"	977.669318	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+Na"	22.989218
"1607351"	341.215918	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Na"	22.989218
"321037"	330.224947	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+H+Na"	23.996494
"716740"	489.338297	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+H+Na"	23.996494
"1474216"	171.111597	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H+Na"	23.996494
"1065999"	114.410156666667	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2H+Na"	25.00377
"1271812"	351.260186	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+CH3OH+H"	33.033486
"392088"	675.416558	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+K"	38.963158
"748341"	993.643258	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+K"	38.963158
"1550394"	357.189858	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+K"	38.963158
"305381"	338.211917	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+H+K"	39.970434
"692699"	497.325267	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+H+K"	39.970434
"1445687"	179.098567	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H+K"	39.970434
"238394"	678.487226	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+ACN+H"	42.033826
"1215112"	360.260526	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+ACN+H"	42.033826
"1198995"	180.633901	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+ACN+2H"	43.041102
"192961"	681.42456	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+2Na-H"	44.97116
"630336"	999.65126	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+2Na-H"	44.97116
"1143331"	363.19786	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2Na-H"	44.97116
"185893"	341.215918	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+2Na"	45.978436
"625817"	500.329268	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+2Na"	45.978436
"1128230"	182.102568	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2Na"	45.978436
"1404832"	121.737470666667	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H+2Na"	46.985712
"1435853"	365.239446	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H+HCOOH"	47.012746
"227737"	346.24894	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+3H2O+2H"	56.04448
"1517987"	379.29149	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+IsoProp+H"	61.06479
"415485"	349.202888	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+Na+K"	61.952376
"774293"	508.316238	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+Na+K"	61.952376
"1679257"	190.089538	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Na+K"	61.952376
"265655"	700.469168	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+ACN+Na"	64.015768
"1236418"	382.242468	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+ACN+Na"	64.015768
"1725673"	382.265993	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+NH4+HCOOH"	64.039293
"1192859"	129.064784666667	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+3Na"	68.967654
"1663845"	387.221388	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Na+HCOOH"	68.994688
"171067"	713.37244	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+2K-H"	76.91904
"609895"	1031.59914	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+2K-H"	76.91904
"1096594"	395.14574	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2K-H"	76.91904
"150492"	357.189858	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"2M+2K"	77.926316
"586772"	516.303208	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"3M+2K"	77.926316
"1071284"	198.076508	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2K"	77.926316
"1109603"	397.160292	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2K+H"	78.933592
"1350740"	397.247907	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+DMSO+H"	79.021207
"1020001"	401.287076	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2ACN+H"	83.060376
"1539218"	402.280708	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+IsoProp+Na+H"	84.054008
"1003842"	201.147176	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+2ACN+2H"	84.067652
"1601263"	403.195328	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+K+HCOOH"	84.968628
"1428378"	433.226838	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+H+CF3COOH"	115.000138
"1160489"	221.660451	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+3ACN+2H"	125.094202
"1711370"	450.253385	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+NH4+CF3COOH"	132.026685
"1649694"	455.20878	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+Na+CF3COOH"	136.98208
"1579511"	471.18272	"C17986"	"Istamycin X0;Sannamycin G"	"C14H30N4O4"	"318.2267"	"M+K+CF3COOH"	152.95602
"814256"	417.2587	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M"	0
"980133"	398.24031	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-H2O-H"	-19.01839
"63634"	277.165190666667	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M-3H"	-3.021828
"504654"	416.251424	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M-3H"	-3.021828
"892300"	138.078957333333	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-3H"	-3.021828
"9781"	416.251424	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M-2H"	-2.014552
"449339"	624.880774	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M-2H"	-2.014552
"821674"	207.622074	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-2H"	-2.014552
"84949"	833.510124	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M-H"	-1.007276
"528883"	1250.768824	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M-H"	-1.007276
"910216"	416.251424	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-H"	-1.007276
"61187"	850.536671	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M-2H+NH4"	16.019271
"500259"	1267.795371	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M-2H+NH4"	16.019271
"872954"	433.277971	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-2H+NH4"	16.019271
"40856"	855.492066	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M-2H+Na"	20.974666
"473856"	1272.750766	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M-2H+Na"	20.974666
"849465"	438.233366	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-2H+Na"	20.974666
"1619116"	438.233366	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Na-2H"	20.974666
"94757"	434.239763	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M-H+Cl"	33.962126
"535207"	642.869113	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M-H+Cl"	33.962126
"927752"	225.610413	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-H+Cl"	33.962126
"268615"	869.486802	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+Cl"	34.969402
"660552"	1286.745502	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+Cl"	34.969402
"1276361"	452.228102	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Cl"	34.969402
"16363"	871.466006	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M-2H+K"	36.948606
"456485"	1288.724706	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M-2H+K"	36.948606
"838476"	454.207306	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-2H+K"	36.948606
"1560140"	454.207306	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+K-2H"	36.948606
"949852"	462.256894	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-H+HCOOH"	44.998194
"364784"	879.515601	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+HCOOH-H"	44.998201
"347936"	893.531251	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+Hac-H"	59.013851
"1497500"	476.272551	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Hac-H"	59.013851
"962123"	484.238851	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-H+NaCOOH"	66.980151
"113946"	452.228102	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+2Cl"	69.938804
"550711"	660.857452	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+2Cl"	69.938804
"1024127"	243.598752	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2Cl"	69.938804
"1242975"	496.177585	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Br"	78.918885
"1309807"	498.233572	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Cl+HCOOH"	80.974872
"1327305"	520.215529	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Cl+NaCOOH"	102.956829
"920550"	530.244286	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M-H+CF3COOH"	112.985586
"1296164"	566.220964	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Cl+CF3COOH"	148.962264
"1374326"	382.246024	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H-2H2O"	-35.012676
"1384164"	400.256	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H-H2O"	-17.0027
"283849"	835.524676	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+H"	1.007276
"679555"	1252.783376	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+H"	1.007276
"1354080"	418.265976	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H"	1.007276
"126967"	418.265976	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+2H"	2.014552
"570537"	626.895326	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+2H"	2.014552
"1040435"	209.636626	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2H"	2.014552
"206150"	279.179742666667	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+3H"	3.021828
"644313"	418.265976	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+3H"	3.021828
"1166023"	140.093509333333	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+3H"	3.021828
"425405"	852.551223	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+NH4"	18.033823
"789191"	1269.809923	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+NH4"	18.033823
"1683699"	435.292523	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+NH4"	18.033823
"333069"	426.7792495	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+H+NH4"	19.041099
"727317"	635.4085995	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+H+NH4"	19.041099
"1481143"	218.1498995	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H+NH4"	19.041099
"393625"	857.506618	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+Na"	22.989218
"756440"	1274.765318	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+Na"	22.989218
"1609284"	440.247918	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Na"	22.989218
"321147"	429.256947	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+H+Na"	23.996494
"716850"	637.886297	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+H+Na"	23.996494
"1476514"	220.627597	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H+Na"	23.996494
"1066109"	147.420823333333	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2H+Na"	25.00377
"1270711"	450.292186	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+CH3OH+H"	33.033486
"391832"	873.480558	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+K"	38.963158
"748452"	1290.739258	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+K"	38.963158
"1550504"	456.221858	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+K"	38.963158
"305492"	437.243917	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+H+K"	39.970434
"692809"	645.873267	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+H+K"	39.970434
"1447717"	228.614567	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H+K"	39.970434
"238506"	876.551226	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+ACN+H"	42.033826
"1215223"	459.292526	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+ACN+H"	42.033826
"1200198"	230.149901	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+ACN+2H"	43.041102
"191612"	879.48856	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+2Na-H"	44.97116
"633725"	1296.74726	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+2Na-H"	44.97116
"1144173"	462.22986	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2Na-H"	44.97116
"186002"	440.247918	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+2Na"	45.978436
"621187"	648.877268	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+2Na"	45.978436
"1127975"	231.618568	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2Na"	45.978436
"1406035"	154.748137333333	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H+2Na"	46.985712
"1437056"	464.271446	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H+HCOOH"	47.012746
"233684"	445.28094	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+3H2O+2H"	56.04448
"1515911"	478.32349	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+IsoProp+H"	61.06479
"419607"	448.234888	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+Na+K"	61.952376
"773311"	656.864238	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+Na+K"	61.952376
"1680835"	239.605538	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Na+K"	61.952376
"264914"	898.533168	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+ACN+Na"	64.015768
"1239449"	481.274468	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+ACN+Na"	64.015768
"1726875"	481.297993	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+NH4+HCOOH"	64.039293
"1192728"	162.075451333333	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+3Na"	68.967654
"1663590"	486.253388	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Na+HCOOH"	68.994688
"172514"	911.43644	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+2K-H"	76.91904
"610004"	1328.69514	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+2K-H"	76.91904
"1095246"	494.17774	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2K-H"	76.91904
"151696"	456.221858	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"2M+2K"	77.926316
"589069"	664.851208	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"3M+2K"	77.926316
"1070301"	247.592508	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2K"	77.926316
"1110442"	496.192292	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2K+H"	78.933592
"1350850"	496.279907	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+DMSO+H"	79.021207
"1020111"	500.319076	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2ACN+H"	83.060376
"1539735"	501.312708	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+IsoProp+Na+H"	84.054008
"1005045"	250.663176	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+2ACN+2H"	84.067652
"1602225"	502.227328	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+K+HCOOH"	84.968628
"1427396"	532.258838	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+H+CF3COOH"	115.000138
"1161328"	271.176451	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+3ACN+2H"	125.094202
"1709418"	549.285385	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+NH4+CF3COOH"	132.026685
"1648346"	554.24078	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+Na+CF3COOH"	136.98208
"1582904"	570.21472	"C17987"	"Istamycin A1"	"C18H35N5O6"	"417.2587"	"M+K+CF3COOH"	152.95602
"813270"	432.2696	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M"	0
"983523"	413.25121	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-H2O-H"	-19.01839
"63866"	287.172457333333	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M-3H"	-3.021828
"505857"	431.262324	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M-3H"	-3.021828
"892046"	143.082590666667	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-3H"	-3.021828
"9891"	431.262324	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M-2H"	-2.014552
"449449"	647.397124	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M-2H"	-2.014552
"823970"	215.127524	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-2H"	-2.014552
"85059"	863.531924	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M-H"	-1.007276
"528993"	1295.801524	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M-H"	-1.007276
"903514"	431.262324	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-H"	-1.007276
"62028"	880.558471	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M-2H+NH4"	16.019271
"499276"	1312.828071	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M-2H+NH4"	16.019271
"873064"	448.288871	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-2H+NH4"	16.019271
"40966"	885.513866	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M-2H+Na"	20.974666
"475059"	1317.783466	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M-2H+Na"	20.974666
"850062"	453.244266	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-2H+Na"	20.974666
"1620323"	453.244266	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Na-2H"	20.974666
"95152"	449.250663	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M-H+Cl"	33.962126
"537384"	665.385463	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M-H+Cl"	33.962126
"927742"	233.115863	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-H+Cl"	33.962126
"268361"	899.508602	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+Cl"	34.969402
"660906"	1331.778202	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+Cl"	34.969402
"1273915"	467.239002	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Cl"	34.969402
"16717"	901.487806	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M-2H+K"	36.948606
"456600"	1333.757406	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M-2H+K"	36.948606
"839679"	469.218206	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-2H+K"	36.948606
"1559886"	469.218206	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+K-2H"	36.948606
"952148"	477.267794	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-H+HCOOH"	44.998194
"363798"	909.537401	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+HCOOH-H"	44.998201
"349870"	923.553051	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+Hac-H"	59.013851
"1495787"	491.283451	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Hac-H"	59.013851
"961505"	499.249751	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-H+NaCOOH"	66.980151
"111868"	467.239002	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+2Cl"	69.938804
"555076"	683.373802	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+2Cl"	69.938804
"1026062"	251.104202	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2Cl"	69.938804
"1244910"	511.188485	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Br"	78.918885
"1309917"	513.244472	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Cl+HCOOH"	80.974872
"1326322"	535.226429	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Cl+NaCOOH"	102.956829
"920660"	545.255186	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M-H+CF3COOH"	112.985586
"1295181"	581.231864	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Cl+CF3COOH"	148.962264
"1375529"	397.256924	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H-2H2O"	-35.012676
"1384638"	415.2669	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H-H2O"	-17.0027
"284323"	865.546476	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+H"	1.007276
"679665"	1297.816076	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+H"	1.007276
"1353826"	433.276876	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H"	1.007276
"127440"	433.276876	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+2H"	2.014552
"571740"	649.411676	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+2H"	2.014552
"1039450"	217.142076	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2H"	2.014552
"209540"	289.187009333333	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+3H"	3.021828
"645819"	433.276876	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+3H"	3.021828
"1163946"	145.097142666667	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+3H"	3.021828
"427216"	882.573023	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+NH4"	18.033823
"789302"	1314.842623	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+NH4"	18.033823
"1685996"	450.303423	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+NH4"	18.033823
"336095"	441.7901495	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+H+NH4"	19.041099
"727789"	657.9249495	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+H+NH4"	19.041099
"1481253"	225.6553495	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H+NH4"	19.041099
"393976"	887.528418	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+Na"	22.989218
"754604"	1319.798018	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+Na"	22.989218
"1609030"	455.258818	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Na"	22.989218
"317975"	444.267847	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+H+Na"	23.996494
"715865"	660.402647	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+H+Na"	23.996494
"1476626"	228.133047	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H+Na"	23.996494
"1067678"	152.424456666667	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2H+Na"	25.00377
"1272154"	465.303086	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+CH3OH+H"	33.033486
"392432"	903.502358	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+K"	38.963158
"751843"	1335.771958	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+K"	38.963158
"1550614"	471.232758	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+K"	38.963158
"308883"	452.254817	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+H+K"	39.970434
"695835"	668.389617	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+H+K"	39.970434
"1450014"	236.120017	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H+K"	39.970434
"241531"	906.573026	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+ACN+H"	42.033826
"1215333"	474.303426	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+ACN+H"	42.033826
"1199215"	237.655351	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+ACN+2H"	43.041102
"193181"	909.51036	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+2Na-H"	44.97116
"631284"	1341.77996	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+2Na-H"	44.97116
"1145861"	477.24076	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2Na-H"	44.97116
"186112"	455.258818	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+2Na"	45.978436
"621297"	671.393618	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+2Na"	45.978436
"1129178"	239.124018	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2Na"	45.978436
"1409790"	159.751770666667	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H+2Na"	46.985712
"1434980"	479.282346	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H+HCOOH"	47.012746
"233187"	460.29184	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+3H2O+2H"	56.04448
"1516021"	493.33439	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+IsoProp+H"	61.06479
"417895"	463.245788	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+Na+K"	61.952376
"773421"	679.380588	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+Na+K"	61.952376
"1680701"	247.110988	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Na+K"	61.952376
"265754"	928.554968	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+ACN+Na"	64.015768
"1239562"	496.285368	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+ACN+Na"	64.015768
"1725526"	496.308893	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+NH4+HCOOH"	64.039293
"1191986"	167.079084666667	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+3Na"	68.967654
"1662971"	501.264288	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Na+HCOOH"	68.994688
"171289"	941.45824	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+2K-H"	76.91904
"609750"	1373.72784	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+2K-H"	76.91904
"1096813"	509.18864	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2K-H"	76.91904
"152535"	471.232758	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"2M+2K"	77.926316
"591364"	687.367558	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"3M+2K"	77.926316
"1070411"	255.097958	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2K"	77.926316
"1110552"	511.203192	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2K+H"	78.933592
"1350358"	511.290807	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+DMSO+H"	79.021207
"1020101"	515.329976	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2ACN+H"	83.060376
"1539685"	516.323608	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+IsoProp+Na+H"	84.054008
"1005157"	258.168626	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+2ACN+2H"	84.067652
"1602212"	517.238228	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+K+HCOOH"	84.968628
"1428598"	547.269738	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+H+CF3COOH"	115.000138
"1160708"	278.681901	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+3ACN+2H"	125.094202
"1708436"	564.296285	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+NH4+CF3COOH"	132.026685
"1648456"	569.25168	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+Na+CF3COOH"	136.98208
"1583014"	585.22562	"C17988"	"Istamycin A2"	"C18H36N6O6"	"432.2696"	"M+K+CF3COOH"	152.95602
"811194"	416.2747	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M"	0
"977072"	397.25631	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-H2O-H"	-19.01839
"64577"	276.509190666667	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M-3H"	-3.021828
"505959"	415.267424	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M-3H"	-3.021828
"892156"	137.750957333333	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-3H"	-3.021828
"5626"	415.267424	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M-2H"	-2.014552
"447372"	623.404774	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M-2H"	-2.014552
"824081"	207.130074	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-2H"	-2.014552
"85169"	831.542124	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M-H"	-1.007276
"528739"	1247.816824	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M-H"	-1.007276
"904716"	415.267424	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-H"	-1.007276
"61771"	848.568671	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M-2H+NH4"	16.019271
"500115"	1264.843371	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M-2H+NH4"	16.019271
"869894"	432.293971	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-2H+NH4"	16.019271
"37796"	853.524066	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M-2H+Na"	20.974666
"481730"	1269.798766	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M-2H+Na"	20.974666
"851876"	437.249366	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-2H+Na"	20.974666
"1619094"	437.249366	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Na-2H"	20.974666
"94898"	433.255763	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M-H+Cl"	33.962126
"536764"	641.393113	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M-H+Cl"	33.962126
"928461"	225.118413	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-H+Cl"	33.962126
"267861"	867.518802	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+Cl"	34.969402
"662358"	1283.793502	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+Cl"	34.969402
"1273786"	451.244102	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Cl"	34.969402
"17681"	869.498006	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M-2H+K"	36.948606
"456027"	1285.772706	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M-2H+K"	36.948606
"840884"	453.223306	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-2H+K"	36.948606
"1561091"	453.223306	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+K-2H"	36.948606
"944597"	461.272894	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-H+HCOOH"	44.998194
"363541"	877.547601	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+HCOOH-H"	44.998201
"349980"	891.563251	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+Hac-H"	59.013851
"1498814"	475.288551	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Hac-H"	59.013851
"965262"	483.254851	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-H+NaCOOH"	66.980151
"113802"	451.244102	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+2Cl"	69.938804
"554823"	659.381452	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+2Cl"	69.938804
"1026172"	243.106752	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2Cl"	69.938804
"1243926"	495.193585	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Br"	78.918885
"1311121"	497.249572	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Cl+HCOOH"	80.974872
"1327525"	519.231529	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Cl+NaCOOH"	102.956829
"918584"	529.260286	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M-H+CF3COOH"	112.985586
"1293104"	565.236964	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Cl+CF3COOH"	148.962264
"1370534"	381.262024	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H-2H2O"	-35.012676
"1383775"	399.272	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H-H2O"	-17.0027
"285528"	833.556676	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+H"	1.007276
"678316"	1249.831376	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+H"	1.007276
"1353208"	417.281976	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H"	1.007276
"127916"	417.281976	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+2H"	2.014552
"570757"	625.419326	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+2H"	2.014552
"1045029"	209.144626	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2H"	2.014552
"211838"	278.523742666667	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+3H"	3.021828
"645442"	417.281976	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+3H"	3.021828
"1163810"	139.765509333333	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+3H"	3.021828
"426231"	850.583223	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+NH4"	18.033823
"789413"	1266.857923	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+NH4"	18.033823
"1685742"	434.308523	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+NH4"	18.033823
"338395"	425.7952495	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+H+NH4"	19.041099
"727899"	633.9325995	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+H+NH4"	19.041099
"1479176"	217.6578995	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H+NH4"	19.041099
"398949"	855.538618	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+Na"	22.989218
"755569"	1271.813318	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+Na"	22.989218
"1612419"	439.263918	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Na"	22.989218
"321364"	428.272947	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+H+Na"	23.996494
"715975"	636.410297	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+H+Na"	23.996494
"1474181"	220.135597	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H+Na"	23.996494
"1065240"	147.092823333333	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2H+Na"	25.00377
"1269839"	449.308186	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+CH3OH+H"	33.033486
"388776"	871.512558	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+K"	38.963158
"751225"	1287.787258	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+K"	38.963158
"1548537"	455.237858	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+K"	38.963158
"310087"	436.259917	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+H+K"	39.970434
"695945"	644.397267	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+H+K"	39.970434
"1449760"	228.122567	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H+K"	39.970434
"240548"	874.583226	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+ACN+H"	42.033826
"1212529"	458.308526	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+ACN+H"	42.033826
"1197503"	229.657901	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+ACN+2H"	43.041102
"191469"	877.52056	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+2Na-H"	44.97116
"629937"	1293.79526	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+2Na-H"	44.97116
"1145119"	461.24586	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2Na-H"	44.97116
"181848"	439.263918	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+2Na"	45.978436
"620313"	647.401268	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+2Na"	45.978436
"1119447"	231.126568	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2Na"	45.978436
"1412087"	154.420137333333	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H+2Na"	46.985712
"1437276"	463.287446	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H+HCOOH"	47.012746
"235485"	444.29694	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+3H2O+2H"	56.04448
"1513945"	477.33949	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+IsoProp+H"	61.06479
"416913"	447.250888	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+Na+K"	61.952376
"778999"	655.388238	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+Na+K"	61.952376
"1681223"	239.113538	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Na+K"	61.952376
"266227"	896.565168	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+ACN+Na"	64.015768
"1239670"	480.290468	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+ACN+Na"	64.015768
"1725272"	480.313993	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+NH4+HCOOH"	64.039293
"1191730"	161.747451333333	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+3Na"	68.967654
"1663080"	485.269388	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Na+HCOOH"	68.994688
"171396"	909.46844	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+2K-H"	76.91904
"609132"	1325.74314	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+2K-H"	76.91904
"1095830"	493.19374	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2K-H"	76.91904
"153009"	455.237858	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"2M+2K"	77.926316
"591474"	663.375208	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"3M+2K"	77.926316
"1073801"	247.100508	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2K"	77.926316
"1109204"	495.208292	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2K+H"	78.933592
"1351162"	495.295907	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+DMSO+H"	79.021207
"1021280"	499.335076	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2ACN+H"	83.060376
"1539856"	500.328708	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+IsoProp+Na+H"	84.054008
"1005392"	250.171176	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+2ACN+2H"	84.067652
"1602527"	501.243328	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+K+HCOOH"	84.968628
"1428704"	531.274838	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+H+CF3COOH"	115.000138
"1161056"	270.684451	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+3ACN+2H"	125.094202
"1709640"	548.301385	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+NH4+CF3COOH"	132.026685
"1649580"	553.25678	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+Na+CF3COOH"	136.98208
"1583124"	569.23072	"C17989"	"Istamycin A3"	"C18H36N6O5"	"416.2747"	"M+K+CF3COOH"	152.95602
"813490"	332.2424	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M"	0
"980462"	313.22401	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-H2O-H"	-19.01839
"65420"	220.487657333333	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M-3H"	-3.021828
"505341"	331.235124	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M-3H"	-3.021828
"892630"	109.740190666667	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-3H"	-3.021828
"11203"	331.235124	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M-2H"	-2.014552
"447482"	497.356324	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M-2H"	-2.014552
"826377"	165.113924	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-2H"	-2.014552
"85277"	663.477524	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M-H"	-1.007276
"529212"	995.719924	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M-H"	-1.007276
"901544"	331.235124	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-H"	-1.007276
"62369"	680.504071	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M-2H+NH4"	16.019271
"497670"	1012.746471	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M-2H+NH4"	16.019271
"867817"	348.261671	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-2H+NH4"	16.019271
"37906"	685.459466	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M-2H+Na"	20.974666
"480747"	1017.701866	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M-2H+Na"	20.974666
"850893"	353.217066	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-2H+Na"	20.974666
"1619693"	353.217066	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Na-2H"	20.974666
"94764"	349.223463	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M-H+Cl"	33.962126
"536510"	515.344663	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M-H+Cl"	33.962126
"928571"	183.102263	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-H+Cl"	33.962126
"267204"	699.454202	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+Cl"	34.969402
"662103"	1031.696602	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+Cl"	34.969402
"1272943"	367.211802	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Cl"	34.969402
"17426"	701.433406	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M-2H+K"	36.948606
"455836"	1033.675806	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M-2H+K"	36.948606
"839899"	369.191006	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-2H+K"	36.948606
"1562295"	369.191006	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+K-2H"	36.948606
"946163"	377.240594	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-H+HCOOH"	44.998194
"361494"	709.483001	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+HCOOH-H"	44.998201
"348986"	723.498651	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+Hac-H"	59.013851
"1500017"	391.256251	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Hac-H"	59.013851
"967558"	399.222551	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-H+NaCOOH"	66.980151
"113548"	367.211802	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+2Cl"	69.938804
"554933"	533.333002	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+2Cl"	69.938804
"1025918"	201.090602	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2Cl"	69.938804
"1243670"	411.161285	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Br"	78.918885
"1311230"	413.217272	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Cl+HCOOH"	80.974872
"1329821"	435.199229	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Cl+NaCOOH"	102.956829
"921973"	445.227986	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M-H+CF3COOH"	112.985586
"1293214"	481.204664	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Cl+CF3COOH"	148.962264
"1368823"	297.229724	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H-2H2O"	-35.012676
"1383560"	315.2397	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H-H2O"	-17.0027
"284544"	665.492076	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+H"	1.007276
"677698"	997.734476	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+H"	1.007276
"1354047"	333.249676	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H"	1.007276
"126934"	333.249676	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+2H"	2.014552
"571960"	499.370876	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+2H"	2.014552
"1041859"	167.128476	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2H"	2.014552
"210854"	222.502209333333	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+3H"	3.021828
"646403"	333.249676	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+3H"	3.021828
"1164165"	111.754742666667	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+3H"	3.021828
"426341"	682.518623	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+NH4"	18.033823
"789523"	1014.761023	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+NH4"	18.033823
"1683666"	350.276223	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+NH4"	18.033823
"336318"	341.7629495	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+H+NH4"	19.041099
"725822"	507.8841495	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+H+NH4"	19.041099
"1480379"	175.6417495	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H+NH4"	19.041099
"400152"	687.474018	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+Na"	22.989218
"756043"	1019.716418	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+Na"	22.989218
"1613622"	355.231618	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Na"	22.989218
"321474"	344.240647	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+H+Na"	23.996494
"717178"	510.361847	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+H+Na"	23.996494
"1476114"	178.119447	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H+Na"	23.996494
"1068228"	119.082056666667	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2H+Na"	25.00377
"1271404"	365.275886	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+CH3OH+H"	33.033486
"389978"	703.447958	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+K"	38.963158
"752428"	1035.690358	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+K"	38.963158
"1548647"	371.205558	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+K"	38.963158
"308010"	352.227617	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+H+K"	39.970434
"696055"	518.348817	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+H+K"	39.970434
"1447684"	186.106417	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H+K"	39.970434
"237379"	706.518626	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+ACN+H"	42.033826
"1213368"	374.276226	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+ACN+H"	42.033826
"1197248"	187.641751	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+ACN+2H"	43.041102
"191213"	709.45596	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+2Na-H"	44.97116
"630045"	1041.69836	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+2Na-H"	44.97116
"1144136"	377.21356	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2Na-H"	44.97116
"184145"	355.231618	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+2Na"	45.978436
"622610"	521.352818	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+2Na"	45.978436
"1127206"	189.110418	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2Na"	45.978436
"1410737"	126.409370666667	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H+2Na"	46.985712
"1436292"	379.255146	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H+HCOOH"	47.012746
"235546"	360.26464	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+3H2O+2H"	56.04448
"1515148"	393.30719	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+IsoProp+H"	61.06479
"419209"	363.218588	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+Na+K"	61.952376
"776923"	529.339788	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+Na+K"	61.952376
"1681066"	197.097388	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Na+K"	61.952376
"264151"	728.500568	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+ACN+Na"	64.015768
"1237954"	396.258168	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+ACN+Na"	64.015768
"1726839"	396.281693	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+NH4+HCOOH"	64.039293
"1192932"	133.736684666667	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+3Na"	68.967654
"1662461"	401.237088	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Na+HCOOH"	68.994688
"171142"	741.40384	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+2K-H"	76.91904
"610698"	1073.64624	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+2K-H"	76.91904
"1095208"	409.16144	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2K-H"	76.91904
"150932"	371.205558	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"2M+2K"	77.926316
"583930"	537.326758	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"3M+2K"	77.926316
"1073911"	205.084358	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2K"	77.926316
"1110407"	411.175992	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2K+H"	78.933592
"1350705"	411.263607	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+DMSO+H"	79.021207
"1019957"	415.302776	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2ACN+H"	83.060376
"1539461"	416.296408	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+IsoProp+Na+H"	84.054008
"1005014"	208.155026	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+2ACN+2H"	84.067652
"1602313"	417.211028	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+K+HCOOH"	84.968628
"1429669"	447.242538	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+H+CF3COOH"	115.000138
"1161287"	228.668301	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+3ACN+2H"	125.094202
"1709750"	464.269085	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+NH4+CF3COOH"	132.026685
"1648676"	469.22448	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+Na+CF3COOH"	136.98208
"1583234"	485.19842	"C17990"	"Istamycin B0"	"C15H32N4O4"	"332.2424"	"M+K+CF3COOH"	152.95602
"803759"	389.2638	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M"	0
"977292"	370.24541	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-H2O-H"	-19.01839
"63344"	258.501924	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M-3H"	-3.021828
"503992"	388.256524	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M-3H"	-3.021828
"892740"	128.747324	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-3H"	-3.021828
"8033"	388.256524	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M-2H"	-2.014552
"444312"	582.888424	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M-2H"	-2.014552
"824301"	193.624624	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-2H"	-2.014552
"83200"	777.520324	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M-H"	-1.007276
"523854"	1166.784124	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M-H"	-1.007276
"895706"	388.256524	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-H"	-1.007276
"57860"	794.546871	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M-2H+NH4"	16.019271
"495594"	1183.810671	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M-2H+NH4"	16.019271
"867927"	405.283071	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-2H+NH4"	16.019271
"38016"	799.502266	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M-2H+Na"	20.974666
"480857"	1188.766066	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M-2H+Na"	20.974666
"852096"	410.238466	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-2H+Na"	20.974666
"1618666"	410.238466	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Na-2H"	20.974666
"94751"	406.244863	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M-H+Cl"	33.962126
"534507"	600.876763	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M-H+Cl"	33.962126
"929410"	211.612963	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-H+Cl"	33.962126
"268207"	813.497002	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+Cl"	34.969402
"663306"	1202.760802	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+Cl"	34.969402
"1272792"	424.233202	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Cl"	34.969402
"15812"	815.476206	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M-2H+K"	36.948606
"455834"	1204.740006	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M-2H+K"	36.948606
"833444"	426.212406	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-2H+K"	36.948606
"1556031"	426.212406	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+K-2H"	36.948606
"942821"	434.261994	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-H+HCOOH"	44.998194
"361685"	823.525801	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+HCOOH-H"	44.998201
"346909"	837.541451	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+Hac-H"	59.013851
"1497941"	448.277651	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Hac-H"	59.013851
"964388"	456.243951	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-H+NaCOOH"	66.980151
"112929"	424.233202	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+2Cl"	69.938804
"553949"	618.865102	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+2Cl"	69.938804
"1025296"	229.601302	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2Cl"	69.938804
"1244874"	468.182685	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Br"	78.918885
"1311340"	470.238672	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Cl+HCOOH"	80.974872
"1327745"	492.220629	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Cl+NaCOOH"	102.956829
"912603"	502.249386	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M-H+CF3COOH"	112.985586
"1291137"	538.226064	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Cl+CF3COOH"	148.962264
"1369658"	354.251124	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H-2H2O"	-35.012676
"1383507"	372.2611	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H-H2O"	-17.0027
"284651"	779.534876	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+H"	1.007276
"677808"	1168.798676	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+H"	1.007276
"1351964"	390.271076	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H"	1.007276
"127769"	390.271076	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+2H"	2.014552
"569154"	584.902976	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+2H"	2.014552
"1038683"	195.639176	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2H"	2.014552
"207682"	260.516476	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+3H"	3.021828
"644443"	390.271076	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+3H"	3.021828
"1163298"	130.761876	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+3H"	3.021828
"424745"	796.561423	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+NH4"	18.033823
"786717"	1185.825223	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+NH4"	18.033823
"1682070"	407.297623	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+NH4"	18.033823
"333146"	398.7843495	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+H+NH4"	19.041099
"725565"	593.4162495	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+H+NH4"	19.041099
"1480489"	204.1524495	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H+NH4"	19.041099
"396982"	801.516818	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+Na"	22.989218
"755789"	1190.780618	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+Na"	22.989218
"1609358"	412.253018	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Na"	22.989218
"320491"	401.262047	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+H+Na"	23.996494
"717287"	595.893947	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+H+Na"	23.996494
"1474767"	206.630147	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H+Na"	23.996494
"1066190"	138.08919	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2H+Na"	25.00377
"1269695"	422.297286	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+CH3OH+H"	33.033486
"389360"	817.490758	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+K"	38.963158
"751810"	1206.754558	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+K"	38.963158
"1549850"	428.226958	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+K"	38.963158
"302652"	409.249017	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+H+K"	39.970434
"692885"	603.880917	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+H+K"	39.970434
"1447794"	214.617117	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H+K"	39.970434
"237487"	820.561426	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+ACN+H"	42.033826
"1213475"	431.297626	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+ACN+H"	42.033826
"1198451"	216.152451	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+ACN+2H"	43.041102
"196787"	823.49876	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+2Na-H"	44.97116
"630520"	1212.76256	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+2Na-H"	44.97116
"1140960"	434.23496	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2Na-H"	44.97116
"181697"	412.253018	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+2Na"	45.978436
"622718"	606.884918	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+2Na"	45.978436
"1126221"	217.621118	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2Na"	45.978436
"1405380"	145.416504	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H+2Na"	46.985712
"1432027"	436.276546	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H+HCOOH"	47.012746
"230477"	417.28604	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+3H2O+2H"	56.04448
"1514165"	450.32859	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+IsoProp+H"	61.06479
"418225"	420.239988	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+Na+K"	61.952376
"774846"	614.871888	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+Na+K"	61.952376
"1681092"	225.608088	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Na+K"	61.952376
"264990"	842.543368	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+ACN+Na"	64.015768
"1238064"	453.279568	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+ACN+Na"	64.015768
"1725857"	453.303093	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+NH4+HCOOH"	64.039293
"1192677"	152.743818	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+3Na"	68.967654
"1664756"	458.258488	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Na+HCOOH"	68.994688
"171616"	855.44664	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+2K-H"	76.91904
"608620"	1244.71044	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+2K-H"	76.91904
"1088758"	466.18284	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2K-H"	76.91904
"147762"	428.226958	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"2M+2K"	77.926316
"584040"	622.858858	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"3M+2K"	77.926316
"1070741"	233.595058	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2K"	77.926316
"1111611"	468.197392	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2K+H"	78.933592
"1351288"	468.285007	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+DMSO+H"	79.021207
"1021161"	472.324176	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2ACN+H"	83.060376
"1539754"	473.317808	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+IsoProp+Na+H"	84.054008
"1005246"	236.665726	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+2ACN+2H"	84.067652
"1602584"	474.232428	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+K+HCOOH"	84.968628
"1429780"	504.263938	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+H+CF3COOH"	115.000138
"1161397"	257.179001	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+3ACN+2H"	125.094202
"1709860"	521.290485	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+NH4+CF3COOH"	132.026685
"1648787"	526.24588	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+Na+CF3COOH"	136.98208
"1583344"	542.21982	"C17991"	"Istamycin B"	"C17H35N5O5"	"389.2638"	"M+K+CF3COOH"	152.95602
"803869"	417.2587	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M"	0
"977402"	398.24031	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-H2O-H"	-19.01839
"63452"	277.165190666667	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M-3H"	-3.021828
"504467"	416.251424	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M-3H"	-3.021828
"885195"	138.078957333333	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-3H"	-3.021828
"10330"	416.251424	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M-2H"	-2.014552
"444422"	624.880774	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M-2H"	-2.014552
"823316"	207.622074	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-2H"	-2.014552
"83310"	833.510124	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M-H"	-1.007276
"519096"	1250.768824	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M-H"	-1.007276
"896046"	416.251424	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-H"	-1.007276
"60765"	850.536671	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M-2H+NH4"	16.019271
"495704"	1267.795371	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M-2H+NH4"	16.019271
"864998"	433.277971	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-2H+NH4"	16.019271
"34845"	855.492066	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M-2H+Na"	20.974666
"474406"	1272.750766	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M-2H+Na"	20.974666
"851111"	438.233366	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-2H+Na"	20.974666
"1618901"	438.233366	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Na-2H"	20.974666
"94862"	434.239763	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M-H+Cl"	33.962126
"534784"	642.869113	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M-H+Cl"	33.962126
"930250"	225.610413	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-H+Cl"	33.962126
"268075"	869.486802	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+Cl"	34.969402
"660294"	1286.745502	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+Cl"	34.969402
"1273387"	452.228102	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Cl"	34.969402
"16916"	871.466006	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M-2H+K"	36.948606
"456559"	1288.724706	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M-2H+K"	36.948606
"837198"	454.207306	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-2H+K"	36.948606
"1555862"	454.207306	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+K-2H"	36.948606
"943057"	462.256894	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-H+HCOOH"	44.998194
"361756"	879.515601	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+HCOOH-H"	44.998201
"346656"	893.531251	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+Hac-H"	59.013851
"1493663"	476.272551	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Hac-H"	59.013851
"958666"	484.238851	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-H+NaCOOH"	66.980151
"110306"	452.228102	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+2Cl"	69.938804
"550149"	660.857452	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+2Cl"	69.938804
"1026500"	243.598752	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2Cl"	69.938804
"1248630"	496.177585	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Br"	78.918885
"1310357"	498.233572	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Cl+HCOOH"	80.974872
"1327855"	520.215529	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Cl+NaCOOH"	102.956829
"914171"	530.244286	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M-H+CF3COOH"	112.985586
"1292704"	566.220964	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Cl+CF3COOH"	148.962264
"1370132"	382.246024	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H-2H2O"	-35.012676
"1383983"	400.256	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H-H2O"	-17.0027
"284272"	835.524676	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+H"	1.007276
"678646"	1252.783376	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+H"	1.007276
"1352804"	418.265976	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H"	1.007276
"128975"	418.265976	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+2H"	2.014552
"569628"	626.895326	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+2H"	2.014552
"1039523"	209.636626	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2H"	2.014552
"208885"	279.179742666667	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+3H"	3.021828
"647717"	418.265976	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+3H"	3.021828
"1163528"	140.093509333333	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+3H"	3.021828
"424858"	852.551223	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+NH4"	18.033823
"787069"	1269.809923	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+NH4"	18.033823
"1681819"	435.292523	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+NH4"	18.033823
"330581"	426.7792495	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+H+NH4"	19.041099
"723972"	635.4085995	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+H+NH4"	19.041099
"1478532"	218.1498995	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H+NH4"	19.041099
"395267"	857.506618	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+Na"	22.989218
"754678"	1274.765318	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+Na"	22.989218
"1609468"	440.247918	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Na"	22.989218
"318775"	429.256947	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+H+Na"	23.996494
"714117"	637.886297	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+H+Na"	23.996494
"1475239"	220.627597	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H+Na"	23.996494
"1065573"	147.420823333333	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2H+Na"	25.00377
"1269804"	450.292186	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+CH3OH+H"	33.033486
"389834"	873.480558	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+K"	38.963158
"752284"	1290.739258	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+K"	38.963158
"1547773"	456.221858	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+K"	38.963158
"301669"	437.243917	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+H+K"	39.970434
"692023"	645.873267	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+H+K"	39.970434
"1447053"	228.614567	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H+K"	39.970434
"237351"	876.551226	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+ACN+H"	42.033826
"1210912"	459.292526	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+ACN+H"	42.033826
"1195645"	230.149901	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+ACN+2H"	43.041102
"192158"	879.48856	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+2Na-H"	44.97116
"630628"	1296.74726	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+2Na-H"	44.97116
"1141070"	462.22986	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2Na-H"	44.97116
"183264"	440.247918	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+2Na"	45.978436
"622828"	648.877268	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+2Na"	45.978436
"1126331"	231.618568	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2Na"	45.978436
"1403303"	154.748137333333	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H+2Na"	46.985712
"1431408"	464.271446	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H+HCOOH"	47.012746
"230587"	445.28094	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+3H2O+2H"	56.04448
"1515368"	478.32349	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+IsoProp+H"	61.06479
"416149"	448.234888	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+Na+K"	61.952376
"774956"	656.864238	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+Na+K"	61.952376
"1680652"	239.605538	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Na+K"	61.952376
"264738"	898.533168	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+ACN+Na"	64.015768
"1237812"	481.274468	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+ACN+Na"	64.015768
"1723053"	481.297993	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+NH4+HCOOH"	64.039293
"1190600"	162.075451333333	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+3Na"	68.967654
"1661587"	486.253388	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Na+HCOOH"	68.994688
"170270"	911.43644	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+2K-H"	76.91904
"607274"	1328.69514	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+2K-H"	76.91904
"1088868"	494.17774	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2K-H"	76.91904
"145686"	456.221858	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"2M+2K"	77.926316
"587430"	664.851208	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"3M+2K"	77.926316
"1073032"	247.592508	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2K"	77.926316
"1110628"	496.192292	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2K+H"	78.933592
"1345918"	496.279907	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+DMSO+H"	79.021207
"1021263"	500.319076	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2ACN+H"	83.060376
"1539751"	501.312708	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+IsoProp+Na+H"	84.054008
"1005109"	250.663176	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+2ACN+2H"	84.067652
"1602410"	502.227328	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+K+HCOOH"	84.968628
"1429801"	532.258838	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+H+CF3COOH"	115.000138
"1161872"	271.176451	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+3ACN+2H"	125.094202
"1709970"	549.285385	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+NH4+CF3COOH"	132.026685
"1648897"	554.24078	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+Na+CF3COOH"	136.98208
"1583454"	570.21472	"C17992"	"Istamycin B1"	"C18H35N5O6"	"417.2587"	"M+K+CF3COOH"	152.95602
"803979"	416.2747	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M"	0
"977512"	397.25631	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-H2O-H"	-19.01839
"64656"	276.509190666667	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M-3H"	-3.021828
"504577"	415.267424	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M-3H"	-3.021828
"885305"	137.750957333333	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-3H"	-3.021828
"12626"	415.267424	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M-2H"	-2.014552
"444532"	623.404774	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M-2H"	-2.014552
"820144"	207.130074	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-2H"	-2.014552
"84513"	831.542124	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M-H"	-1.007276
"518965"	1247.816824	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M-H"	-1.007276
"896278"	415.267424	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-H"	-1.007276
"61357"	848.568671	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M-2H+NH4"	16.019271
"494720"	1264.843371	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M-2H+NH4"	16.019271
"865346"	432.293971	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-2H+NH4"	16.019271
"31910"	853.524066	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M-2H+Na"	20.974666
"472685"	1269.798766	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M-2H+Na"	20.974666
"849639"	437.249366	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-2H+Na"	20.974666
"1618678"	437.249366	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Na-2H"	20.974666
"94726"	433.255763	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M-H+Cl"	33.962126
"534404"	641.393113	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M-H+Cl"	33.962126
"930723"	225.118413	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-H+Cl"	33.962126
"271104"	867.518802	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+Cl"	34.969402
"660603"	1283.793502	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+Cl"	34.969402
"1273618"	451.244102	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Cl"	34.969402
"17147"	869.498006	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M-2H+K"	36.948606
"459506"	1285.772706	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M-2H+K"	36.948606
"838766"	453.223306	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-2H+K"	36.948606
"1556904"	453.223306	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+K-2H"	36.948606
"942883"	461.272894	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-H+HCOOH"	44.998194
"362151"	877.547601	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+HCOOH-H"	44.998201
"347127"	891.563251	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+Hac-H"	59.013851
"1493166"	475.288551	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Hac-H"	59.013851
"959251"	483.254851	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-H+NaCOOH"	66.980151
"110078"	451.244102	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+2Cl"	69.938804
"550870"	659.381452	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+2Cl"	69.938804
"1026248"	243.106752	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2Cl"	69.938804
"1246920"	495.193585	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Br"	78.918885
"1309374"	497.249572	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Cl+HCOOH"	80.974872
"1326872"	519.231529	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Cl+NaCOOH"	102.956829
"914647"	529.260286	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M-H+CF3COOH"	112.985586
"1293178"	565.236964	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Cl+CF3COOH"	148.962264
"1369881"	381.262024	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H-2H2O"	-35.012676
"1383729"	399.272	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H-H2O"	-17.0027
"283086"	833.556676	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+H"	1.007276
"680214"	1249.831376	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+H"	1.007276
"1352308"	417.281976	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H"	1.007276
"126896"	417.281976	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+2H"	2.014552
"567185"	625.419326	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+2H"	2.014552
"1044373"	209.144626	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2H"	2.014552
"206807"	278.523742666667	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+3H"	3.021828
"647463"	417.281976	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+3H"	3.021828
"1163640"	139.765509333333	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+3H"	3.021828
"424968"	850.583223	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+NH4"	18.033823
"786209"	1266.857923	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+NH4"	18.033823
"1683268"	434.308523	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+NH4"	18.033823
"332273"	425.7952495	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+H+NH4"	19.041099
"726885"	633.9325995	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+H+NH4"	19.041099
"1478278"	217.6578995	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H+NH4"	19.041099
"395014"	855.538618	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+Na"	22.989218
"755396"	1271.813318	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+Na"	22.989218
"1609942"	439.263918	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Na"	22.989218
"320710"	428.272947	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+H+Na"	23.996494
"715320"	636.410297	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+H+Na"	23.996494
"1475233"	220.135597	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H+Na"	23.996494
"1066776"	147.092823333333	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2H+Na"	25.00377
"1271007"	449.308186	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+CH3OH+H"	33.033486
"389944"	871.512558	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+K"	38.963158
"752032"	1287.787258	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+K"	38.963158
"1550071"	455.237858	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+K"	38.963158
"303967"	436.259917	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+H+K"	39.970434
"694198"	644.397267	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+H+K"	39.970434
"1448017"	228.122567	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H+K"	39.970434
"237710"	874.583226	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+ACN+H"	42.033826
"1212602"	458.308526	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+ACN+H"	42.033826
"1195878"	229.657901	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+ACN+2H"	43.041102
"193728"	877.52056	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+2Na-H"	44.97116
"629646"	1293.79526	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+2Na-H"	44.97116
"1141181"	461.24586	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2Na-H"	44.97116
"184104"	439.263918	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+2Na"	45.978436
"622209"	647.401268	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+2Na"	45.978436
"1127903"	231.126568	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2Na"	45.978436
"1404506"	154.420137333333	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H+2Na"	46.985712
"1432248"	463.287446	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H+HCOOH"	47.012746
"230697"	444.29694	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+3H2O+2H"	56.04448
"1520583"	477.33949	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+IsoProp+H"	61.06479
"416256"	447.250888	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+Na+K"	61.952376
"775066"	655.388238	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+Na+K"	61.952376
"1670298"	239.113538	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Na+K"	61.952376
"259011"	896.565168	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+ACN+Na"	64.015768
"1237559"	480.290468	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+ACN+Na"	64.015768
"1724258"	480.313993	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+NH4+HCOOH"	64.039293
"1191439"	161.747451333333	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+3Na"	68.967654
"1661697"	485.269388	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Na+HCOOH"	68.994688
"170380"	909.46844	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+2K-H"	76.91904
"606656"	1325.74314	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+2K-H"	76.91904
"1087885"	493.19374	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2K-H"	76.91904
"143609"	455.237858	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"2M+2K"	77.926316
"585354"	663.375208	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"3M+2K"	77.926316
"1073142"	247.100508	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2K"	77.926316
"1106361"	495.208292	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2K+H"	78.933592
"1339463"	495.295907	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+DMSO+H"	79.021207
"1021340"	499.335076	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2ACN+H"	83.060376
"1539018"	500.328708	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+IsoProp+Na+H"	84.054008
"1003518"	250.171176	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+2ACN+2H"	84.067652
"1602396"	501.243328	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+K+HCOOH"	84.968628
"1429828"	531.274838	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+H+CF3COOH"	115.000138
"1161618"	270.684451	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+3ACN+2H"	125.094202
"1711172"	548.301385	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+NH4+CF3COOH"	132.026685
"1649818"	553.25678	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+Na+CF3COOH"	136.98208
"1583564"	569.23072	"C17993"	"Istamycin B3"	"C18H36N6O5"	"416.2747"	"M+K+CF3COOH"	152.95602
"804453"	346.258	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M"	0
"980902"	327.23961	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-H2O-H"	-19.01839
"64159"	229.831390666667	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M-3H"	-3.021828
"504692"	345.250724	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M-3H"	-3.021828
"885415"	114.412057333333	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-3H"	-3.021828
"9457"	345.250724	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M-2H"	-2.014552
"446830"	518.379724	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M-2H"	-2.014552
"821351"	172.121724	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-2H"	-2.014552
"83530"	691.508724	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M-H"	-1.007276
"524184"	1037.766724	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M-H"	-1.007276
"899800"	345.250724	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-H"	-1.007276
"61711"	708.535271	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M-2H+NH4"	16.019271
"501027"	1054.793271	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M-2H+NH4"	16.019271
"872632"	362.277271	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-2H+NH4"	16.019271
"37252"	713.490666	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M-2H+Na"	20.974666
"475719"	1059.748666	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M-2H+Na"	20.974666
"856801"	367.232666	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-2H+Na"	20.974666
"1621960"	367.232666	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Na-2H"	20.974666
"98488"	363.239063	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M-H+Cl"	33.962126
"538048"	536.368063	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M-H+Cl"	33.962126
"937032"	190.110063	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-H+Cl"	33.962126
"274495"	727.485402	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+Cl"	34.969402
"670199"	1073.743402	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+Cl"	34.969402
"1282601"	381.227402	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Cl"	34.969402
"20053"	729.464606	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M-2H+K"	36.948606
"458888"	1075.722606	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M-2H+K"	36.948606
"837056"	383.206606	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-2H+K"	36.948606
"1556894"	383.206606	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+K-2H"	36.948606
"946239"	391.256194	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-H+HCOOH"	44.998194
"366642"	737.514201	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+HCOOH-H"	44.998201
"347609"	751.529851	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+Hac-H"	59.013851
"1497172"	405.271851	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Hac-H"	59.013851
"961797"	413.238151	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-H+NaCOOH"	66.980151
"113985"	381.227402	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+2Cl"	69.938804
"550746"	554.356402	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+2Cl"	69.938804
"1027454"	208.098402	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2Cl"	69.938804
"1252134"	425.176885	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Br"	78.918885
"1310577"	427.232872	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Cl+HCOOH"	80.974872
"1330262"	449.214829	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Cl+NaCOOH"	102.956829
"921319"	459.243586	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M-H+CF3COOH"	112.985586
"1293654"	495.220264	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Cl+CF3COOH"	148.962264
"1374002"	311.245324	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H-2H2O"	-35.012676
"1392592"	329.2553	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H-H2O"	-17.0027
"290091"	693.523276	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+H"	1.007276
"682511"	1039.781276	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+H"	1.007276
"1358860"	347.265276	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H"	1.007276
"136122"	347.265276	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+2H"	2.014552
"570215"	520.394276	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+2H"	2.014552
"1042296"	174.136276	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2H"	2.014552
"209103"	231.845942666667	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+3H"	3.021828
"646844"	347.265276	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+3H"	3.021828
"1163146"	116.426609333333	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+3H"	3.021828
"425688"	710.549823	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+NH4"	18.033823
"787049"	1056.807823	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+NH4"	18.033823
"1684473"	364.291823	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+NH4"	18.033823
"334573"	355.7785495	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+H+NH4"	19.041099
"725172"	528.9075495	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+H+NH4"	19.041099
"1477776"	182.6495495	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H+NH4"	19.041099
"395119"	715.505218	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+Na"	22.989218
"755751"	1061.763218	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+Na"	22.989218
"1605306"	369.247218	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Na"	22.989218
"315347"	358.256247	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+H+Na"	23.996494
"717617"	531.385247	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+H+Na"	23.996494
"1476069"	185.127247	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H+Na"	23.996494
"1066153"	123.753923333333	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2H+Na"	25.00377
"1272210"	379.291486	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+CH3OH+H"	33.033486
"392242"	731.479158	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+K"	38.963158
"753884"	1077.737158	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+K"	38.963158
"1550182"	385.221158	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+K"	38.963158
"309546"	366.243217	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+H+K"	39.970434
"696498"	539.372217	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+H+K"	39.970434
"1451411"	193.114217	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H+K"	39.970434
"241103"	734.549826	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+ACN+H"	42.033826
"1211623"	388.291826	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+ACN+H"	42.033826
"1194450"	194.649551	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+ACN+2H"	43.041102
"188982"	737.48716	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+2Na-H"	44.97116
"629391"	1083.74516	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+2Na-H"	44.97116
"1143478"	391.22916	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2Na-H"	44.97116
"186403"	369.247218	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+2Na"	45.978436
"625967"	542.376218	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+2Na"	45.978436
"1124731"	196.118218	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2Na"	45.978436
"1403523"	131.081237333333	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H+2Na"	46.985712
"1432722"	393.270746	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H+HCOOH"	47.012746
"234818"	374.28024	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+3H2O+2H"	56.04448
"1519962"	407.32279	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+IsoProp+H"	61.06479
"417460"	377.234188	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+Na+K"	61.952376
"780644"	550.363188	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+Na+K"	61.952376
"1673691"	204.105188	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Na+K"	61.952376
"261308"	756.531768	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+ACN+Na"	64.015768
"1233285"	410.273768	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+ACN+Na"	64.015768
"1725093"	410.297293	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+NH4+HCOOH"	64.039293
"1189721"	138.408551333333	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+3Na"	68.967654
"1660707"	415.252688	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Na+HCOOH"	68.994688
"168300"	769.43504	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+2K-H"	76.91904
"607859"	1115.69304	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+2K-H"	76.91904
"1091277"	423.17704	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2K-H"	76.91904
"149187"	385.221158	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"2M+2K"	77.926316
"584371"	558.350158	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"3M+2K"	77.926316
"1074352"	212.092158	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2K"	77.926316
"1107565"	425.191592	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2K+H"	78.933592
"1339573"	425.279207	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+DMSO+H"	79.021207
"1011385"	429.318376	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2ACN+H"	83.060376
"1536080"	430.312008	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+IsoProp+Na+H"	84.054008
"1002160"	215.162826	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+2ACN+2H"	84.067652
"1597029"	431.226628	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+K+HCOOH"	84.968628
"1427796"	461.258138	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+H+CF3COOH"	115.000138
"1162093"	235.676101	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+3ACN+2H"	125.094202
"1711277"	478.284685	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+NH4+CF3COOH"	132.026685
"1648023"	483.24008	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+Na+CF3COOH"	136.98208
"1583674"	499.21402	"C17994"	"Istamycin C0"	"C16H34N4O4"	"346.258"	"M+K+CF3COOH"	152.95602
"804199"	403.2795	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M"	0
"974814"	384.26111	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-H2O-H"	-19.01839
"63783"	267.845724	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M-3H"	-3.021828
"504437"	402.272224	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M-3H"	-3.021828
"885525"	133.419224	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-3H"	-3.021828
"9567"	402.272224	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M-2H"	-2.014552
"450220"	603.911974	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M-2H"	-2.014552
"821461"	200.632474	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-2H"	-2.014552
"84733"	805.551724	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M-H"	-1.007276
"525387"	1208.831224	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M-H"	-1.007276
"902096"	402.272224	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-H"	-1.007276
"60726"	822.578271	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M-2H+NH4"	16.019271
"500652"	1225.857771	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M-2H+NH4"	16.019271
"872742"	419.298771	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-2H+NH4"	16.019271
"37362"	827.533666	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M-2H+Na"	20.974666
"473641"	1230.813166	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M-2H+Na"	20.974666
"853628"	424.254166	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-2H+Na"	20.974666
"1620246"	424.254166	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Na-2H"	20.974666
"94625"	420.260563	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M-H+Cl"	33.962126
"538158"	621.900313	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M-H+Cl"	33.962126
"938236"	218.620813	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-H+Cl"	33.962126
"274605"	841.528402	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+Cl"	34.969402
"670309"	1244.807902	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+Cl"	34.969402
"1282710"	438.248902	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Cl"	34.969402
"20163"	843.507606	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M-2H+K"	36.948606
"458270"	1246.787106	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M-2H+K"	36.948606
"836070"	440.228106	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-2H+K"	36.948606
"1557368"	440.228106	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+K-2H"	36.948606
"948536"	448.277694	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-H+HCOOH"	44.998194
"362254"	851.557201	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+HCOOH-H"	44.998201
"348449"	865.572851	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+Hac-H"	59.013851
"1497282"	462.293351	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Hac-H"	59.013851
"964824"	470.259651	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-H+NaCOOH"	66.980151
"115918"	438.248902	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+2Cl"	69.938804
"550126"	639.888652	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+2Cl"	69.938804
"1033032"	236.609152	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2Cl"	69.938804
"1251516"	482.198385	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Br"	78.918885
"1309593"	484.254372	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Cl+HCOOH"	80.974872
"1330372"	506.236329	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Cl+NaCOOH"	102.956829
"921429"	516.265086	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M-H+CF3COOH"	112.985586
"1294857"	552.241764	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Cl+CF3COOH"	148.962264
"1374112"	368.266824	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H-2H2O"	-35.012676
"1392702"	386.2768	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H-H2O"	-17.0027
"289107"	807.566276	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+H"	1.007276
"681528"	1210.845776	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+H"	1.007276
"1357877"	404.286776	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H"	1.007276
"136232"	404.286776	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+2H"	2.014552
"573605"	605.926526	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+2H"	2.014552
"1043499"	202.647026	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2H"	2.014552
"211400"	269.860276	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+3H"	3.021828
"647683"	404.286776	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+3H"	3.021828
"1166901"	135.433776	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+3H"	3.021828
"426892"	824.592823	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+NH4"	18.033823
"786065"	1227.872323	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+NH4"	18.033823
"1684583"	421.313323	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+NH4"	18.033823
"333955"	412.8000495	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+H+NH4"	19.041099
"727105"	614.4397995	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+H+NH4"	19.041099
"1477884"	211.1602995	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H+NH4"	19.041099
"394258"	829.548218	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+Na"	22.989218
"756590"	1232.827718	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+Na"	22.989218
"1603471"	426.268718	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Na"	22.989218
"314728"	415.277747	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+H+Na"	23.996494
"715541"	616.917497	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+H+Na"	23.996494
"1470461"	213.637997	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H+Na"	23.996494
"1060425"	142.76109	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2H+Na"	25.00377
"1260278"	436.312986	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+CH3OH+H"	33.033486
"390166"	845.522158	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+K"	38.963158
"752616"	1248.801658	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+K"	38.963158
"1553208"	442.242658	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+K"	38.963158
"306376"	423.264717	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+H+K"	39.970434
"695515"	624.904467	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+H+K"	39.970434
"1450426"	221.624967	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H+K"	39.970434
"239027"	848.592826	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+ACN+H"	42.033826
"1210882"	445.313326	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+ACN+H"	42.033826
"1194253"	223.160301	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+ACN+2H"	43.041102
"188692"	851.53016	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+2Na-H"	44.97116
"628545"	1254.80966	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+2Na-H"	44.97116
"1140309"	448.25066	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2Na-H"	44.97116
"180682"	426.268718	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+2Na"	45.978436
"625348"	627.908468	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+2Na"	45.978436
"1124480"	224.628968	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2Na"	45.978436
"1402538"	150.088404	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H+2Na"	46.985712
"1433560"	450.292246	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H+HCOOH"	47.012746
"232740"	431.30174	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+3H2O+2H"	56.04448
"1520072"	464.34429	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+IsoProp+H"	61.06479
"417570"	434.255688	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+Na+K"	61.952376
"781847"	635.895438	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+Na+K"	61.952376
"1673801"	232.615938	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Na+K"	61.952376
"262511"	870.574768	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+ACN+Na"	64.015768
"1235218"	467.295268	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+ACN+Na"	64.015768
"1725203"	467.318793	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+NH4+HCOOH"	64.039293
"1187645"	157.415718	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+3Na"	68.967654
"1660451"	472.274188	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Na+HCOOH"	68.994688
"167315"	883.47804	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+2K-H"	76.91904
"605781"	1286.75754	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+2K-H"	76.91904
"1090292"	480.19854	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2K-H"	76.91904
"148199"	442.242658	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"2M+2K"	77.926316
"585574"	643.882408	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"3M+2K"	77.926316
"1074458"	240.602908	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2K"	77.926316
"1108768"	482.213092	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2K+H"	78.933592
"1338591"	482.300707	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+DMSO+H"	79.021207
"1011495"	486.339876	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2ACN+H"	83.060376
"1534002"	487.333508	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+IsoProp+Na+H"	84.054008
"1000448"	243.673576	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+2ACN+2H"	84.067652
"1598232"	488.248128	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+K+HCOOH"	84.968628
"1424988"	518.279638	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+H+CF3COOH"	115.000138
"1158556"	264.186851	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+3ACN+2H"	125.094202
"1707011"	535.306185	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+NH4+CF3COOH"	132.026685
"1645946"	540.26158	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+Na+CF3COOH"	136.98208
"1583784"	556.23552	"C17995"	"Istamycin C"	"C18H37N5O5"	"403.2795"	"M+K+CF3COOH"	152.95602
"804309"	431.2744	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M"	0
"976747"	412.25601	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-H2O-H"	-19.01839
"64988"	286.508990666667	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M-3H"	-3.021828
"505640"	430.267124	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M-3H"	-3.021828
"885633"	142.750857333333	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-3H"	-3.021828
"14660"	430.267124	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M-2H"	-2.014552
"445955"	645.904324	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M-2H"	-2.014552
"822664"	214.629924	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-2H"	-2.014552
"85937"	861.541524	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M-H"	-1.007276
"528777"	1292.815924	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M-H"	-1.007276
"904393"	430.267124	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-H"	-1.007276
"60594"	878.568071	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M-2H+NH4"	16.019271
"499548"	1309.842471	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M-2H+NH4"	16.019271
"872852"	447.293671	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-2H+NH4"	16.019271
"38565"	883.523466	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M-2H+Na"	20.974666
"474844"	1314.797866	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M-2H+Na"	20.974666
"854832"	452.249066	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-2H+Na"	20.974666
"1619990"	452.249066	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Na-2H"	20.974666
"95426"	448.255463	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M-H+Cl"	33.962126
"534648"	663.892663	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M-H+Cl"	33.962126
"932878"	232.618263	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-H+Cl"	33.962126
"267663"	897.518202	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+Cl"	34.969402
"671512"	1328.792602	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+Cl"	34.969402
"1276987"	466.243802	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Cl"	34.969402
"19909"	899.497406	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M-2H+K"	36.948606
"457652"	1330.771806	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M-2H+K"	36.948606
"835452"	468.223006	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-2H+K"	36.948606
"1558573"	468.223006	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+K-2H"	36.948606
"946460"	476.272594	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-H+HCOOH"	44.998194
"362851"	907.547001	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+HCOOH-H"	44.998201
"347827"	921.562651	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+Hac-H"	59.013851
"1495931"	490.288251	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Hac-H"	59.013851
"962747"	498.254551	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-H+NaCOOH"	66.980151
"113839"	466.243802	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+2Cl"	69.938804
"550472"	681.881002	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+2Cl"	69.938804
"1036182"	250.606602	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2Cl"	69.938804
"1254544"	510.193285	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Br"	78.918885
"1310796"	512.249272	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Cl+HCOOH"	80.974872
"1330118"	534.231229	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Cl+NaCOOH"	102.956829
"919353"	544.259986	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M-H+CF3COOH"	112.985586
"1294967"	580.236664	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Cl+CF3COOH"	148.962264
"1373129"	396.261724	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H-2H2O"	-35.012676
"1391719"	414.2717	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H-H2O"	-17.0027
"287031"	863.556076	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+H"	1.007276
"681638"	1294.830476	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+H"	1.007276
"1357987"	432.281676	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H"	1.007276
"136342"	432.281676	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+2H"	2.014552
"574809"	647.918876	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+2H"	2.014552
"1044702"	216.644476	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2H"	2.014552
"212605"	288.523542666667	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+3H"	3.021828
"648886"	432.281676	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+3H"	3.021828
"1167011"	144.765409333333	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+3H"	3.021828
"427002"	880.582623	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+NH4"	18.033823
"787146"	1311.857023	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+NH4"	18.033823
"1688702"	449.308223	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+NH4"	18.033823
"336980"	440.7949495	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+H+NH4"	19.041099
"729402"	656.4321495	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+H+NH4"	19.041099
"1477996"	225.1577495	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H+NH4"	19.041099
"396434"	885.538018	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+Na"	22.989218
"754916"	1316.812418	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+Na"	22.989218
"1605526"	454.263618	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Na"	22.989218
"315201"	443.272647	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+H+Na"	23.996494
"715650"	658.909847	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+H+Na"	23.996494
"1469478"	227.635447	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H+Na"	23.996494
"1060535"	152.092723333333	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2H+Na"	25.00377
"1260024"	464.307886	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+CH3OH+H"	33.033486
"389545"	901.511958	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+K"	38.963158
"751267"	1332.786358	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+K"	38.963158
"1553317"	470.237558	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+K"	38.963158
"308671"	451.259617	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+H+K"	39.970434
"693801"	666.896817	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+H+K"	39.970434
"1449443"	235.622417	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H+K"	39.970434
"242417"	904.582626	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+ACN+H"	42.033826
"1210871"	473.308226	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+ACN+H"	42.033826
"1194228"	237.157751	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+ACN+2H"	43.041102
"188587"	907.51996	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+2Na-H"	44.97116
"628598"	1338.79436	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+2Na-H"	44.97116
"1139326"	476.24556	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2Na-H"	44.97116
"182614"	454.263618	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+2Na"	45.978436
"625581"	669.900818	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+2Na"	45.978436
"1127506"	238.626418	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2Na"	45.978436
"1403742"	159.420037333333	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H+2Na"	46.985712
"1436948"	478.287146	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H+HCOOH"	47.012746
"233215"	459.29664	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+3H2O+2H"	56.04448
"1521274"	492.33919	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+IsoProp+H"	61.06479
"418773"	462.250588	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+Na+K"	61.952376
"781957"	677.887788	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+Na+K"	61.952376
"1675004"	246.613388	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Na+K"	61.952376
"263714"	926.564568	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+ACN+Na"	64.015768
"1236422"	495.290168	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+ACN+Na"	64.015768
"1723857"	495.313693	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+NH4+HCOOH"	64.039293
"1189576"	166.747351333333	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+3Na"	68.967654
"1659833"	500.269088	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Na+HCOOH"	68.994688
"167061"	939.46784	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+2K-H"	76.91904
"606984"	1370.74224	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+2K-H"	76.91904
"1090403"	508.19344	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2K-H"	76.91904
"148310"	470.237558	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"2M+2K"	77.926316
"585684"	685.874758	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"3M+2K"	77.926316
"1078942"	254.600358	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2K"	77.926316
"1106692"	510.207992	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2K+H"	78.933592
"1341979"	510.295607	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+DMSO+H"	79.021207
"1010511"	514.334776	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2ACN+H"	83.060376
"1535205"	515.328408	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+IsoProp+Na+H"	84.054008
"1001651"	257.671026	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+2ACN+2H"	84.067652
"1598342"	516.243028	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+K+HCOOH"	84.968628
"1427285"	546.274538	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+H+CF3COOH"	115.000138
"1158667"	278.184301	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+3ACN+2H"	125.094202
"1707121"	563.301085	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+NH4+CF3COOH"	132.026685
"1646056"	568.25648	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+Na+CF3COOH"	136.98208
"1583894"	584.23042	"C17996"	"Istamycin C1"	"C19H37N5O6"	"431.2744"	"M+K+CF3COOH"	152.95602
"804419"	555.2752	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M"	0
"975399"	536.25681	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-H2O-H"	-19.01839
"64367"	369.176190666667	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M-3H"	-3.021828
"503927"	554.267924	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M-3H"	-3.021828
"885743"	184.084457333333	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-3H"	-3.021828
"1278"	554.267924	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M-2H"	-2.014552
"447158"	831.905524	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M-2H"	-2.014552
"821679"	276.630324	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-2H"	-2.014552
"86047"	1109.543124	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M-H"	-1.007276
"527794"	1664.818324	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M-H"	-1.007276
"901221"	554.267924	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-H"	-1.007276
"58881"	1126.569671	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M-2H+NH4"	16.019271
"501115"	1681.844871	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M-2H+NH4"	16.019271
"872962"	571.294471	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-2H+NH4"	16.019271
"37582"	1131.525066	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M-2H+Na"	20.974666
"474954"	1686.800266	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M-2H+Na"	20.974666
"853849"	576.249866	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-2H+Na"	20.974666
"1621193"	576.249866	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Na-2H"	20.974666
"95900"	572.256263	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M-H+Cl"	33.962126
"534640"	849.893863	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M-H+Cl"	33.962126
"929708"	294.618663	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-H+Cl"	33.962126
"267773"	1145.519802	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+Cl"	34.969402
"672715"	1700.795002	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+Cl"	34.969402
"1276369"	590.244602	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Cl"	34.969402
"20019"	1147.499006	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M-2H+K"	36.948606
"460674"	1702.774206	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M-2H+K"	36.948606
"836653"	592.223806	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-2H+K"	36.948606
"1556129"	592.223806	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+K-2H"	36.948606
"944377"	600.273394	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-H+HCOOH"	44.998194
"361982"	1155.548601	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+HCOOH-H"	44.998201
"346471"	1169.564251	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+Hac-H"	59.013851
"1494208"	614.289051	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Hac-H"	59.013851
"958717"	622.255351	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-H+NaCOOH"	66.980151
"112855"	590.244602	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+2Cl"	69.938804
"550945"	867.882202	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+2Cl"	69.938804
"1034345"	312.607002	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2Cl"	69.938804
"1254652"	634.194085	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Br"	78.918885
"1309813"	636.250072	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Cl+HCOOH"	80.974872
"1330592"	658.232029	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Cl+NaCOOH"	102.956829
"920556"	668.260786	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M-H+CF3COOH"	112.985586
"1295077"	704.237464	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Cl+CF3COOH"	148.962264
"1369959"	520.262524	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H-2H2O"	-35.012676
"1391829"	538.2725	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H-H2O"	-17.0027
"286048"	1111.557676	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+H"	1.007276
"680655"	1666.832876	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+H"	1.007276
"1359190"	556.282476	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H"	1.007276
"133172"	556.282476	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+2H"	2.014552
"574918"	833.920076	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+2H"	2.014552
"1045906"	278.644876	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2H"	2.014552
"211621"	371.190742666667	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+3H"	3.021828
"648267"	556.282476	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+3H"	3.021828
"1166392"	186.099009333333	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+3H"	3.021828
"430392"	1128.584223	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+NH4"	18.033823
"786528"	1683.859423	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+NH4"	18.033823
"1688813"	573.309023	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+NH4"	18.033823
"338184"	564.7957495	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+H+NH4"	19.041099
"731699"	842.4333495	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+H+NH4"	19.041099
"1482238"	287.1581495	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H+NH4"	19.041099
"397639"	1133.539618	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+Na"	22.989218
"755716"	1688.814818	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+Na"	22.989218
"1605637"	578.264418	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Na"	22.989218
"316040"	567.273447	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+H+Na"	23.996494
"714667"	844.911047	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+H+Na"	23.996494
"1471774"	289.635847	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H+Na"	23.996494
"1060645"	193.426323333333	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2H+Na"	25.00377
"1260133"	588.308686	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+CH3OH+H"	33.033486
"386368"	1149.513558	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+K"	38.963158
"741895"	1704.788758	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+K"	38.963158
"1542853"	594.238358	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+K"	38.963158
"302218"	575.260417	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+H+K"	39.970434
"694638"	852.898017	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+H+K"	39.970434
"1449550"	297.622817	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H+K"	39.970434
"237058"	1152.584226	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+ACN+H"	42.033826
"1210159"	597.309026	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+ACN+H"	42.033826
"1194737"	299.158151	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+ACN+2H"	43.041102
"190887"	1155.52156	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+2Na-H"	44.97116
"633729"	1710.79676	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+2Na-H"	44.97116
"1139436"	600.24636	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2Na-H"	44.97116
"180902"	578.264418	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+2Na"	45.978436
"621193"	855.902018	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+2Na"	45.978436
"1124336"	300.626818	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2Na"	45.978436
"1402028"	200.753637333333	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H+2Na"	46.985712
"1433049"	602.287946	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H+HCOOH"	47.012746
"233324"	583.29744	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+3H2O+2H"	56.04448
"1519198"	616.33999	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+IsoProp+H"	61.06479
"419976"	586.251388	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+Na+K"	61.952376
"779880"	863.888988	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+Na+K"	61.952376
"1674020"	308.613788	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Na+K"	61.952376
"260541"	1174.566168	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+ACN+Na"	64.015768
"1235438"	619.290968	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+ACN+Na"	64.015768
"1725420"	619.314493	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+NH4+HCOOH"	64.039293
"1190050"	208.080951333333	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+3Na"	68.967654
"1657392"	624.269888	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Na+HCOOH"	68.994688
"164253"	1187.46944	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+2K-H"	76.91904
"606000"	1742.74464	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+2K-H"	76.91904
"1090511"	632.19424	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2K-H"	76.91904
"147326"	594.238358	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"2M+2K"	77.926316
"589074"	871.875958	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"3M+2K"	77.926316
"1077958"	316.600758	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2K"	77.926316
"1107896"	634.208792	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2K+H"	78.933592
"1340997"	634.296407	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+DMSO+H"	79.021207
"1012808"	638.335576	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2ACN+H"	83.060376
"1534222"	639.329208	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+IsoProp+Na+H"	84.054008
"1002854"	319.671426	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+2ACN+2H"	84.067652
"1597359"	640.243828	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+K+HCOOH"	84.968628
"1428488"	670.275338	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+H+CF3COOH"	115.000138
"1158776"	340.184701	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+3ACN+2H"	125.094202
"1707231"	687.301885	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+NH4+CF3COOH"	132.026685
"1646166"	692.25728	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+Na+CF3COOH"	136.98208
"1584004"	708.23122	"C17997"	"Oxyapramycin"	"C21H41N5O12"	"555.2752"	"M+K+CF3COOH"	152.95602
"804529"	540.2643	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M"	0
"975874"	521.24591	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-H2O-H"	-19.01839
"65206"	359.168924	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M-3H"	-3.021828
"504767"	539.257024	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M-3H"	-3.021828
"885853"	179.080824	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-3H"	-3.021828
"3334"	539.257024	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M-2H"	-2.014552
"450548"	809.389174	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M-2H"	-2.014552
"823976"	269.124874	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-2H"	-2.014552
"88344"	1079.521324	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M-H"	-1.007276
"524623"	1619.785624	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M-H"	-1.007276
"899144"	539.257024	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-H"	-1.007276
"60085"	1096.547871	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M-2H+NH4"	16.019271
"502081"	1636.812171	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M-2H+NH4"	16.019271
"878299"	556.283571	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-2H+NH4"	16.019271
"40972"	1101.503266	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M-2H+Na"	20.974666
"475065"	1641.767566	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M-2H+Na"	20.974666
"853958"	561.238966	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-2H+Na"	20.974666
"1619233"	561.238966	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Na-2H"	20.974666
"95401"	557.245363	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M-H+Cl"	33.962126
"534911"	827.377513	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M-H+Cl"	33.962126
"930911"	287.113213	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-H+Cl"	33.962126
"268004"	1115.498002	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+Cl"	34.969402
"662617"	1655.762302	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+Cl"	34.969402
"1273926"	575.233702	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Cl"	34.969402
"16477"	1117.477206	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M-2H+K"	36.948606
"460784"	1657.741506	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M-2H+K"	36.948606
"838586"	577.212906	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-2H+K"	36.948606
"1556967"	577.212906	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+K-2H"	36.948606
"943431"	585.262494	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-H+HCOOH"	44.998194
"362700"	1125.526801	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+HCOOH-H"	44.998201
"347668"	1139.542451	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+Hac-H"	59.013851
"1494679"	599.278151	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Hac-H"	59.013851
"959922"	607.244451	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-H+NaCOOH"	66.980151
"111625"	575.233702	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+2Cl"	69.938804
"551542"	845.365852	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+2Cl"	69.938804
"1033360"	305.101552	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2Cl"	69.938804
"1254398"	619.183185	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Br"	78.918885
"1311016"	621.239172	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Cl+HCOOH"	80.974872
"1330702"	643.221129	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Cl+NaCOOH"	102.956829
"920666"	653.249886	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M-H+CF3COOH"	112.985586
"1296280"	689.226564	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Cl+CF3COOH"	148.962264
"1371162"	505.251624	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H-2H2O"	-35.012676
"1391939"	523.2616	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H-H2O"	-17.0027
"286158"	1081.535876	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+H"	1.007276
"680765"	1621.800176	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+H"	1.007276
"1357114"	541.271576	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H"	1.007276
"132189"	541.271576	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+2H"	2.014552
"575029"	811.403726	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+2H"	2.014552
"1047111"	271.139426	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2H"	2.014552
"210638"	361.183476	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+3H"	3.021828
"648378"	541.271576	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+3H"	3.021828
"1165045"	181.095376	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+3H"	3.021828
"428316"	1098.562423	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+NH4"	18.033823
"786517"	1638.826723	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+NH4"	18.033823
"1690017"	558.298123	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+NH4"	18.033823
"337201"	549.7848495	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+H+NH4"	19.041099
"730716"	819.9169995	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+H+NH4"	19.041099
"1480161"	279.6526995	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H+NH4"	19.041099
"397747"	1103.517818	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+Na"	22.989218
"756920"	1643.782118	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+Na"	22.989218
"1606111"	563.253518	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Na"	22.989218
"317244"	552.262547	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+H+Na"	23.996494
"713686"	822.394697	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+H+Na"	23.996494
"1474070"	282.130397	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H+Na"	23.996494
"1061848"	188.42269	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2H+Na"	25.00377
"1260608"	573.297786	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+CH3OH+H"	33.033486
"387572"	1119.491758	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+K"	38.963158
"745285"	1659.756058	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+K"	38.963158
"1544057"	579.227458	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+K"	38.963158
"302327"	560.249517	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+H+K"	39.970434
"695841"	830.381667	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+H+K"	39.970434
"1447837"	290.117367	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H+K"	39.970434
"237167"	1122.562426	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+ACN+H"	42.033826
"1211205"	582.298126	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+ACN+H"	42.033826
"1196184"	291.652701	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+ACN+2H"	43.041102
"191365"	1125.49976	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+2Na-H"	44.97116
"629951"	1665.76406	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+2Na-H"	44.97116
"1132238"	585.23546	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2Na-H"	44.97116
"180643"	563.253518	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+2Na"	45.978436
"622391"	833.385668	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+2Na"	45.978436
"1123714"	293.121368	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2Na"	45.978436
"1407242"	195.750004	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H+2Na"	46.985712
"1439356"	587.277046	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H+HCOOH"	47.012746
"222856"	568.28654	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+3H2O+2H"	56.04448
"1512742"	601.32909	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+IsoProp+H"	61.06479
"418993"	571.240488	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+Na+K"	61.952376
"782905"	841.372638	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+Na+K"	61.952376
"1677411"	301.108338	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Na+K"	61.952376
"262839"	1144.544368	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+ACN+Na"	64.015768
"1238465"	604.280068	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+ACN+Na"	64.015768
"1725528"	604.303593	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+NH4+HCOOH"	64.039293
"1189796"	203.077318	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+3Na"	68.967654
"1658595"	609.258988	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Na+HCOOH"	68.994688
"164363"	1157.44764	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+2K-H"	76.91904
"605016"	1697.71194	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+2K-H"	76.91904
"1090621"	617.18334	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2K-H"	76.91904
"147436"	579.227458	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"2M+2K"	77.926316
"589185"	849.359608	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"3M+2K"	77.926316
"1078068"	309.095308	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2K"	77.926316
"1110192"	619.197892	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2K+H"	78.933592
"1340015"	619.285507	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+DMSO+H"	79.021207
"1012918"	623.324676	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2ACN+H"	83.060376
"1534332"	624.318308	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+IsoProp+Na+H"	84.054008
"1002964"	312.165976	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+2ACN+2H"	84.067652
"1596376"	625.232928	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+K+HCOOH"	84.968628
"1426411"	655.264438	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+H+CF3COOH"	115.000138
"1157793"	332.679251	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+3ACN+2H"	125.094202
"1706248"	672.290985	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+NH4+CF3COOH"	132.026685
"1642996"	677.24638	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+Na+CF3COOH"	136.98208
"1584114"	693.22032	"C17998"	"Saccharocin;KA-5685;4-Deamino-4-hydroxyapramycin"	"C21H40N4O12"	"540.2643"	"M+K+CF3COOH"	152.95602
"807919"	485.2221	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M"	0
"978171"	466.20371	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-H2O-H"	-19.01839
"63858"	322.474124	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M-3H"	-3.021828
"503539"	484.214824	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M-3H"	-3.021828
"885963"	160.733424	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-3H"	-3.021828
"3444"	484.214824	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M-2H"	-2.014552
"450658"	726.825874	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M-2H"	-2.014552
"824086"	241.603774	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-2H"	-2.014552
"88454"	969.436924	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M-H"	-1.007276
"528013"	1454.659024	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M-H"	-1.007276
"902534"	484.214824	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-H"	-1.007276
"61776"	986.463471	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M-2H+NH4"	16.019271
"497569"	1471.685571	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M-2H+NH4"	16.019271
"877558"	501.241371	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-2H+NH4"	16.019271
"37802"	991.418866	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M-2H+Na"	20.974666
"475175"	1476.640966	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M-2H+Na"	20.974666
"850059"	506.196766	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-2H+Na"	20.974666
"1619467"	506.196766	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Na-2H"	20.974666
"95512"	502.203163	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M-H+Cl"	33.962126
"534824"	744.814213	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M-H+Cl"	33.962126
"929199"	259.592113	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-H+Cl"	33.962126
"267749"	1005.413602	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+Cl"	34.969402
"662362"	1490.635702	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+Cl"	34.969402
"1274278"	520.191502	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Cl"	34.969402
"16468"	1007.392806	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M-2H+K"	36.948606
"459801"	1492.614906	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M-2H+K"	36.948606
"838696"	522.170706	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-2H+K"	36.948606
"1559267"	522.170706	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+K-2H"	36.948606
"945328"	530.220294	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-H+HCOOH"	44.998194
"362448"	1015.442401	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+HCOOH-H"	44.998201
"346692"	1029.458051	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+Hac-H"	59.013851
"1494431"	544.235951	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Hac-H"	59.013851
"961612"	552.202251	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-H+NaCOOH"	66.980151
"110518"	520.191502	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+2Cl"	69.938804
"550200"	762.802552	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+2Cl"	69.938804
"1021671"	277.580452	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2Cl"	69.938804
"1251955"	564.140985	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Br"	78.918885
"1310033"	566.196972	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Cl+HCOOH"	80.974872
"1329719"	588.178929	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Cl+NaCOOH"	102.956829
"918590"	598.207686	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M-H+CF3COOH"	112.985586
"1295297"	634.184364	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Cl+CF3COOH"	148.962264
"1370179"	450.209424	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H-2H2O"	-35.012676
"1389862"	468.2194	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H-H2O"	-17.0027
"286268"	971.451476	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+H"	1.007276
"679782"	1456.673576	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+H"	1.007276
"1359411"	486.229376	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H"	1.007276
"134486"	486.229376	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+2H"	2.014552
"576232"	728.840426	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+2H"	2.014552
"1046128"	243.618326	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2H"	2.014552
"208925"	324.488676	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+3H"	3.021828
"648488"	486.229376	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+3H"	3.021828
"1166613"	162.747976	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+3H"	3.021828
"429520"	988.478023	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+NH4"	18.033823
"788693"	1473.700123	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+NH4"	18.033823
"1690127"	503.255923	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+NH4"	18.033823
"338405"	494.7426495	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+H+NH4"	19.041099
"729736"	737.3536995	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+H+NH4"	19.041099
"1482460"	252.1315995	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H+NH4"	19.041099
"401138"	993.433418	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+Na"	22.989218
"755207"	1478.655518	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+Na"	22.989218
"1606221"	508.211318	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Na"	22.989218
"317719"	497.220347	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+H+Na"	23.996494
"713796"	739.831397	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+H+Na"	23.996494
"1469808"	254.609297	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H+Na"	23.996494
"1060865"	170.07529	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2H+Na"	25.00377
"1260718"	518.255586	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+CH3OH+H"	33.033486
"385496"	1009.407358	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+K"	38.963158
"742480"	1494.629458	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+K"	38.963158
"1544167"	524.185258	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+K"	38.963158
"301708"	505.207317	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+H+K"	39.970434
"698139"	747.818367	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+H+K"	39.970434
"1448677"	262.596267	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H+K"	39.970434
"236299"	1012.478026	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+ACN+H"	42.033826
"1210469"	527.255926	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+ACN+H"	42.033826
"1196418"	264.131601	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+ACN+2H"	43.041102
"192205"	1015.41536	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+2Na-H"	44.97116
"630670"	1500.63746	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+2Na-H"	44.97116
"1131427"	530.19326	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2Na-H"	44.97116
"178567"	508.211318	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+2Na"	45.978436
"619222"	750.822368	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+2Na"	45.978436
"1124918"	265.600268	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2Na"	45.978436
"1406259"	177.402604	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H+2Na"	46.985712
"1437279"	532.234846	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H+HCOOH"	47.012746
"222966"	513.24434	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+3H2O+2H"	56.04448
"1512853"	546.28689	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+IsoProp+H"	61.06479
"409499"	516.198288	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+Na+K"	61.952376
"770370"	758.809338	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+Na+K"	61.952376
"1666092"	273.587238	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Na+K"	61.952376
"252370"	1034.459968	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+ACN+Na"	64.015768
"1225929"	549.237868	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+ACN+Na"	64.015768
"1714212"	549.261393	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+NH4+HCOOH"	64.039293
"1191720"	184.729918	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+3Na"	68.967654
"1660890"	554.216788	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Na+HCOOH"	68.994688
"161193"	1047.36324	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+2K-H"	76.91904
"602939"	1532.58534	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+2K-H"	76.91904
"1089636"	562.14114	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2K-H"	76.91904
"145356"	524.185258	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"2M+2K"	77.926316
"587106"	766.796308	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"3M+2K"	77.926316
"1077085"	281.574208	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2K"	77.926316
"1108115"	564.155692	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2K+H"	78.933592
"1340124"	564.243307	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+DMSO+H"	79.021207
"1013028"	568.282476	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2ACN+H"	83.060376
"1535536"	569.276108	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+IsoProp+Na+H"	84.054008
"1003074"	284.644876	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+2ACN+2H"	84.067652
"1597579"	570.190728	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+K+HCOOH"	84.968628
"1427614"	600.222238	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+H+CF3COOH"	115.000138
"1157903"	305.158151	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+3ACN+2H"	125.094202
"1707451"	617.248785	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+NH4+CF3COOH"	132.026685
"1639826"	622.20418	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+Na+CF3COOH"	136.98208
"1584224"	638.17812	"C17999"	"6-O-Glc-paromamine"	"C18H35N3O12"	"485.2221"	"M+K+CF3COOH"	152.95602
"814592"	526.2599	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M"	0
"981563"	507.24151	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-H2O-H"	-19.01839
"74180"	349.832657333333	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M-3H"	-3.021828
"517028"	525.252624	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M-3H"	-3.021828
"895401"	174.412690666667	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-3H"	-3.021828
"13401"	525.252624	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M-2H"	-2.014552
"455528"	788.382574	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M-2H"	-2.014552
"831739"	262.122674	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-2H"	-2.014552
"90759"	1051.512524	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M-H"	-1.007276
"530318"	1577.772424	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M-H"	-1.007276
"905930"	525.252624	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-H"	-1.007276
"61037"	1068.539071	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M-2H+NH4"	16.019271
"498772"	1594.798971	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M-2H+NH4"	16.019271
"875482"	542.279171	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-2H+NH4"	16.019271
"46545"	1073.494466	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M-2H+Na"	20.974666
"481848"	1599.754366	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M-2H+Na"	20.974666
"861839"	547.234566	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-2H+Na"	20.974666
"1629188"	547.234566	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Na-2H"	20.974666
"103529"	543.240963	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M-H+Cl"	33.962126
"538714"	806.370913	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M-H+Cl"	33.962126
"932229"	280.111013	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-H+Cl"	33.962126
"275157"	1087.489202	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+Cl"	34.969402
"668672"	1613.749102	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+Cl"	34.969402
"1283262"	561.229302	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Cl"	34.969402
"23631"	1089.468406	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M-2H+K"	36.948606
"459917"	1615.728306	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M-2H+K"	36.948606
"835531"	563.208506	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-2H+K"	36.948606
"1557197"	563.208506	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+K-2H"	36.948606
"946901"	571.258094	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-H+HCOOH"	44.998194
"361835"	1097.518001	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+HCOOH-H"	44.998201
"347173"	1111.533651	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+Hac-H"	59.013851
"1495647"	585.273751	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Hac-H"	59.013851
"961000"	593.240051	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-H+NaCOOH"	66.980151
"113187"	561.229302	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+2Cl"	69.938804
"550918"	824.359252	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+2Cl"	69.938804
"1028114"	298.099352	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2Cl"	69.938804
"1249881"	605.178785	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Br"	78.918885
"1316707"	607.234772	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Cl+HCOOH"	80.974872
"1332745"	629.216729	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Cl+NaCOOH"	102.956829
"925262"	639.245486	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M-H+CF3COOH"	112.985586
"1299783"	675.222164	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Cl+CF3COOH"	148.962264
"1381226"	491.247224	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H-2H2O"	-35.012676
"1389974"	509.2572	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H-H2O"	-17.0027
"290754"	1053.527076	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+H"	1.007276
"680988"	1579.786976	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+H"	1.007276
"1358429"	527.267176	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H"	1.007276
"132412"	527.267176	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+2H"	2.014552
"570880"	790.397126	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+2H"	2.014552
"1041869"	264.137226	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2H"	2.014552
"208675"	351.847209333333	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+3H"	3.021828
"647871"	527.267176	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+3H"	3.021828
"1167455"	176.427242666667	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+3H"	3.021828
"429632"	1070.553623	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+NH4"	18.033823
"791722"	1596.813523	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+NH4"	18.033823
"1686958"	544.293723	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+NH4"	18.033823
"336331"	535.7804495	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+H+NH4"	19.041099
"727657"	798.9103995	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+H+NH4"	19.041099
"1482935"	272.6504995	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H+NH4"	19.041099
"398333"	1075.509018	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+Na"	22.989218
"760058"	1601.768918	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+Na"	22.989218
"1609254"	549.249118	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Na"	22.989218
"319292"	538.258147	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+H+Na"	23.996494
"713906"	801.388097	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+H+Na"	23.996494
"1471016"	275.128197	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H+Na"	23.996494
"1064264"	183.754556666667	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2H+Na"	25.00377
"1270315"	559.293386	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+CH3OH+H"	33.033486
"389257"	1091.482958	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+K"	38.963158
"748427"	1617.742858	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+K"	38.963158
"1552300"	565.223058	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+K"	38.963158
"305830"	546.245117	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+H+K"	39.970434
"695334"	809.375067	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+H+K"	39.970434
"1448790"	283.115167	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H+K"	39.970434
"241765"	1094.553626	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+ACN+H"	42.033826
"1213378"	568.293726	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+ACN+H"	42.033826
"1197624"	284.650501	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+ACN+2H"	43.041102
"193408"	1097.49096	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+2Na-H"	44.97116
"634062"	1623.75086	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+2Na-H"	44.97116
"1142320"	571.23106	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2Na-H"	44.97116
"186704"	549.249118	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+2Na"	45.978436
"621523"	812.379068	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+2Na"	45.978436
"1127217"	286.119168	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2Na"	45.978436
"1402359"	191.081870666667	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H+2Na"	46.985712
"1437390"	573.272646	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H+HCOOH"	47.012746
"234626"	554.28214	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+3H2O+2H"	56.04448
"1518435"	587.32469	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+IsoProp+H"	61.06479
"419213"	557.236088	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+Na+K"	61.952376
"785628"	820.366038	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+Na+K"	61.952376
"1677631"	294.106138	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Na+K"	61.952376
"259780"	1116.535568	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+ACN+Na"	64.015768
"1236863"	590.275668	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+ACN+Na"	64.015768
"1725747"	590.299193	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+NH4+HCOOH"	64.039293
"1191100"	198.409184666667	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+3Na"	68.967654
"1655526"	595.254588	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Na+HCOOH"	68.994688
"163489"	1129.43884	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+2K-H"	76.91904
"601954"	1655.69874	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+2K-H"	76.91904
"1088654"	603.17894	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2K-H"	76.91904
"144494"	565.223058	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"2M+2K"	77.926316
"586121"	828.353008	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"3M+2K"	77.926316
"1076102"	302.093108	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2K"	77.926316
"1108225"	605.193492	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2K+H"	78.933592
"1340234"	605.281107	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+DMSO+H"	79.021207
"1012045"	609.320276	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2ACN+H"	83.060376
"1536737"	610.313908	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+IsoProp+Na+H"	84.054008
"1003183"	305.163776	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+2ACN+2H"	84.067652
"1598782"	611.228528	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+K+HCOOH"	84.968628
"1427723"	641.260038	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+H+CF3COOH"	115.000138
"1159106"	325.677051	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+3ACN+2H"	125.094202
"1707561"	658.286585	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+NH4+CF3COOH"	132.026685
"1639936"	663.24198	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+Na+CF3COOH"	136.98208
"1584334"	679.21592	"C18000"	"Nebramycin factor 4;6-O-Carbamoylkanamycin B"	"C19H38N6O11"	"526.2599"	"M+K+CF3COOH"	152.95602
"804859"	510.2649	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M"	0
"974320"	491.24651	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-H2O-H"	-19.01839
"63036"	339.169324	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M-3H"	-3.021828
"503395"	509.257624	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M-3H"	-3.021828
"882903"	169.081024	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-3H"	-3.021828
"4757"	509.257624	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M-2H"	-2.014552
"443228"	764.390074	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M-2H"	-2.014552
"818113"	254.125174	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-2H"	-2.014552
"84301"	1019.522524	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M-H"	-1.007276
"530426"	1529.787424	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M-H"	-1.007276
"902760"	509.257624	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-H"	-1.007276
"60296"	1036.549071	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M-2H+NH4"	16.019271
"498882"	1546.813971	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M-2H+NH4"	16.019271
"875592"	526.284171	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-2H+NH4"	16.019271
"43496"	1041.504466	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M-2H+Na"	20.974666
"481958"	1551.769366	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M-2H+Na"	20.974666
"859762"	531.239566	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-2H+Na"	20.974666
"1629298"	531.239566	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Na-2H"	20.974666
"103640"	527.245963	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M-H+Cl"	33.962126
"541012"	782.378413	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M-H+Cl"	33.962126
"935620"	272.113513	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-H+Cl"	33.962126
"269073"	1055.499202	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+Cl"	34.969402
"663316"	1565.764102	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+Cl"	34.969402
"1275719"	545.234302	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Cl"	34.969402
"21555"	1057.478406	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M-2H+K"	36.948606
"457467"	1567.743306	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M-2H+K"	36.948606
"833819"	547.213506	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-2H+K"	36.948606
"1558036"	547.213506	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+K-2H"	36.948606
"945916"	555.263094	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-H+HCOOH"	44.998194
"361945"	1065.528001	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+HCOOH-H"	44.998201
"347284"	1079.543651	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+Hac-H"	59.013851
"1494664"	569.278751	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Hac-H"	59.013851
"962203"	577.245051	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-H+NaCOOH"	66.980151
"112204"	545.234302	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+2Cl"	69.938804
"551027"	800.366752	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+2Cl"	69.938804
"1033692"	290.101852	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2Cl"	69.938804
"1248899"	589.183785	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Br"	78.918885
"1313536"	591.239772	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Cl+HCOOH"	80.974872
"1326658"	613.221729	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Cl+NaCOOH"	102.956829
"917715"	623.250486	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M-H+CF3COOH"	112.985586
"1293331"	659.227164	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Cl+CF3COOH"	148.962264
"1368575"	475.252224	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H-2H2O"	-35.012676
"1393364"	493.2622	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H-H2O"	-17.0027
"285394"	1021.537076	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+H"	1.007276
"682190"	1531.801976	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+H"	1.007276
"1353073"	511.272176	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H"	1.007276
"131429"	511.272176	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+2H"	2.014552
"569897"	766.404626	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+2H"	2.014552
"1040519"	256.139726	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2H"	2.014552
"207325"	341.183876	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+3H"	3.021828
"649439"	511.272176	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+3H"	3.021828
"1169748"	171.095576	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+3H"	3.021828
"429744"	1038.563623	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+NH4"	18.033823
"790737"	1548.828523	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+NH4"	18.033823
"1684882"	528.298723	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+NH4"	18.033823
"335348"	519.7854495	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+H+NH4"	19.041099
"724122"	774.9178995	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+H+NH4"	19.041099
"1478304"	264.6529995	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H+NH4"	19.041099
"396986"	1043.519018	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+Na"	22.989218
"760170"	1553.783918	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+Na"	22.989218
"1603897"	533.254118	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Na"	22.989218
"316122"	522.263147	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+H+Na"	23.996494
"711829"	777.395597	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+H+Na"	23.996494
"1466754"	267.130697	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H+Na"	23.996494
"1060000"	178.42289	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2H+Na"	25.00377
"1266052"	543.298386	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+CH3OH+H"	33.033486
"389368"	1059.492958	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+K"	38.963158
"746715"	1569.757858	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+K"	38.963158
"1551681"	549.228058	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+K"	38.963158
"307034"	530.250117	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+H+K"	39.970434
"694351"	785.382567	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+H+K"	39.970434
"1447807"	275.117667	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H+K"	39.970434
"241875"	1062.563626	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+ACN+H"	42.033826
"1212395"	552.298726	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+ACN+H"	42.033826
"1197370"	276.653001	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+ACN+2H"	43.041102
"193882"	1065.50096	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+2Na-H"	44.97116
"634172"	1575.76586	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+2Na-H"	44.97116
"1143523"	555.23606	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2Na-H"	44.97116
"184992"	533.254118	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+2Na"	45.978436
"622728"	788.386568	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+2Na"	45.978436
"1127327"	278.121668	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2Na"	45.978436
"1403562"	185.750204	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H+2Na"	46.985712
"1437500"	557.277646	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H+HCOOH"	47.012746
"229389"	538.28714	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+3H2O+2H"	56.04448
"1519638"	571.32969	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+IsoProp+H"	61.06479
"417137"	541.241088	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+Na+K"	61.952376
"782506"	796.373538	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+Na+K"	61.952376
"1676648"	286.108638	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Na+K"	61.952376
"259889"	1084.545568	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+ACN+Na"	64.015768
"1234785"	574.280668	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+ACN+Na"	64.015768
"1722576"	574.304193	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+NH4+HCOOH"	64.039293
"1189024"	193.077518	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+3Na"	68.967654
"1655636"	579.259588	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Na+HCOOH"	68.994688
"161412"	1097.44884	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+2K-H"	76.91904
"604246"	1607.71374	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+2K-H"	76.91904
"1089857"	587.18394	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2K-H"	76.91904
"143511"	549.228058	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"2M+2K"	77.926316
"586231"	804.360508	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"3M+2K"	77.926316
"1076212"	294.095608	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2K"	77.926316
"1105055"	589.198492	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2K+H"	78.933592
"1342529"	589.286107	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+DMSO+H"	79.021207
"1012154"	593.325276	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2ACN+H"	83.060376
"1538670"	594.318908	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+IsoProp+Na+H"	84.054008
"1005239"	297.166276	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+2ACN+2H"	84.067652
"1601686"	595.233528	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+K+HCOOH"	84.968628
"1428926"	625.265038	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+H+CF3COOH"	115.000138
"1160309"	317.679551	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+3ACN+2H"	125.094202
"1707671"	642.291585	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+NH4+CF3COOH"	132.026685
"1640046"	647.24698	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+Na+CF3COOH"	136.98208
"1584444"	663.22092	"C18001"	"Nebramycin 5;Nebramycin factor 5;6-O-Carbamoyltobramycin"	"C19H38N6O10"	"510.2649"	"M+K+CF3COOH"	152.95602
"804969"	455.2115	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M"	0
"975584"	436.19311	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-H2O-H"	-19.01839
"66743"	302.467057333333	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M-3H"	-3.021828
"505209"	454.204224	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M-3H"	-3.021828
"889575"	150.729890666667	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-3H"	-3.021828
"7056"	454.204224	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M-2H"	-2.014552
"443338"	681.809974	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M-2H"	-2.014552
"830620"	226.598474	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-2H"	-2.014552
"85506"	909.415724	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M-H"	-1.007276
"528349"	1364.627224	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M-H"	-1.007276
"906151"	454.204224	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-H"	-1.007276
"58341"	926.442271	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M-2H+NH4"	16.019271
"493525"	1381.653771	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M-2H+NH4"	16.019271
"874610"	471.230771	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-2H+NH4"	16.019271
"39231"	931.397666	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M-2H+Na"	20.974666
"483166"	1386.609166	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M-2H+Na"	20.974666
"858782"	476.186166	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-2H+Na"	20.974666
"1625034"	476.186166	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Na-2H"	20.974666
"100468"	472.192563	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M-H+Cl"	33.962126
"538936"	699.798313	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M-H+Cl"	33.962126
"932450"	244.586813	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-H+Cl"	33.962126
"271000"	945.392402	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+Cl"	34.969402
"662693"	1400.603902	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+Cl"	34.969402
"1275461"	490.180902	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Cl"	34.969402
"20572"	947.371606	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M-2H+K"	36.948606
"458308"	1402.583106	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M-2H+K"	36.948606
"837936"	492.160106	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-2H+K"	36.948606
"1557049"	492.160106	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+K-2H"	36.948606
"944566"	500.209694	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-H+HCOOH"	44.998194
"362778"	955.421201	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+HCOOH-H"	44.998201
"346663"	969.436851	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+Hac-H"	59.013851
"1493678"	514.225351	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Hac-H"	59.013851
"959762"	522.191651	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-H+NaCOOH"	66.980151
"113043"	490.180902	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+2Cl"	69.938804
"559532"	717.786652	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+2Cl"	69.938804
"1032707"	262.575152	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2Cl"	69.938804
"1252291"	534.130385	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Br"	78.918885
"1313646"	536.186372	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Cl+HCOOH"	80.974872
"1323489"	558.168329	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Cl+NaCOOH"	102.956829
"924389"	568.197086	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M-H+CF3COOH"	112.985586
"1300003"	604.173764	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Cl+CF3COOH"	148.962264
"1372697"	420.198824	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H-2H2O"	-35.012676
"1383142"	438.2088	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H-H2O"	-17.0027
"285507"	911.430276	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+H"	1.007276
"681208"	1366.641776	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+H"	1.007276
"1351603"	456.218776	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H"	1.007276
"132636"	456.218776	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+2H"	2.014552
"566728"	683.824526	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+2H"	2.014552
"1038079"	228.613026	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2H"	2.014552
"209990"	304.481609333333	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+3H"	3.021828
"647363"	456.218776	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+3H"	3.021828
"1166943"	152.744442666667	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+3H"	3.021828
"427667"	928.456823	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+NH4"	18.033823
"787930"	1383.668323	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+NH4"	18.033823
"1683530"	473.245323	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+NH4"	18.033823
"331082"	464.7320495	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+H+NH4"	19.041099
"726787"	692.3377995	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+H+NH4"	19.041099
"1478413"	237.1262995	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H+NH4"	19.041099
"398189"	933.412218	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+Na"	22.989218
"757000"	1388.623718	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+Na"	22.989218
"1605463"	478.200718	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Na"	22.989218
"316601"	467.209747	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+H+Na"	23.996494
"709752"	694.815497	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+H+Na"	23.996494
"1471236"	239.603997	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H+Na"	23.996494
"1062661"	160.071756666667	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2H+Na"	25.00377
"1268713"	488.244986	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+CH3OH+H"	33.033486
"389840"	949.386158	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+K"	38.963158
"750832"	1404.597658	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+K"	38.963158
"1552158"	494.174658	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+K"	38.963158
"303498"	475.196717	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+H+K"	39.970434
"696649"	702.802467	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+H+K"	39.970434
"1451196"	247.590967	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H+K"	39.970434
"240890"	952.456826	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+ACN+H"	42.033826
"1211045"	497.245326	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+ACN+H"	42.033826
"1196385"	249.126301	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+ACN+2H"	43.041102
"192173"	955.39416	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+2Na-H"	44.97116
"633918"	1410.60566	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+2Na-H"	44.97116
"1143269"	500.18266	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2Na-H"	44.97116
"186561"	478.200718	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+2Na"	45.978436
"627092"	705.806468	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+2Na"	45.978436
"1130235"	250.594968	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2Na"	45.978436
"1404766"	167.399070666667	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H+2Na"	46.985712
"1432505"	502.224246	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H+HCOOH"	47.012746
"230228"	483.23374	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+3H2O+2H"	56.04448
"1519020"	516.27629	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+IsoProp+H"	61.06479
"420168"	486.187688	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+Na+K"	61.952376
"779338"	713.793438	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+Na+K"	61.952376
"1675665"	258.581938	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Na+K"	61.952376
"258908"	974.438768	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+ACN+Na"	64.015768
"1232706"	519.227268	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+ACN+Na"	64.015768
"1718312"	519.250793	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+NH4+HCOOH"	64.039293
"1182572"	174.726384666667	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+3Na"	68.967654
"1653557"	524.206188	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Na+HCOOH"	68.994688
"163702"	987.34204	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+2K-H"	76.91904
"602177"	1442.55354	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+2K-H"	76.91904
"1091790"	532.13054	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2K-H"	76.91904
"150065"	494.174658	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"2M+2K"	77.926316
"588531"	721.780408	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"3M+2K"	77.926316
"1073043"	266.568908	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2K"	77.926316
"1104069"	534.145092	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2K+H"	78.933592
"1347018"	534.232707	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+DMSO+H"	79.021207
"1013360"	538.271876	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2ACN+H"	83.060376
"1538537"	539.265508	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+IsoProp+Na+H"	84.054008
"1004502"	269.639576	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+2ACN+2H"	84.067652
"1600825"	540.180128	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+K+HCOOH"	84.968628
"1427945"	570.211638	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+H+CF3COOH"	115.000138
"1161512"	290.152851	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+3ACN+2H"	125.094202
"1712287"	587.238185	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+NH4+CF3COOH"	132.026685
"1646713"	592.19358	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+Na+CF3COOH"	136.98208
"1584554"	608.16752	"C18002"	"5-Ribosylparomamine;Ribosylparomamine"	"C17H33N3O11"	"455.2115"	"M+K+CF3COOH"	152.95602
"808359"	599.3014	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M"	0
"975449"	580.28301	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-H2O-H"	-19.01839
"64667"	398.526990666667	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M-3H"	-3.021828
"506412"	598.294124	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M-3H"	-3.021828
"892965"	198.759857333333	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-3H"	-3.021828
"6073"	598.294124	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M-2H"	-2.014552
"451102"	897.944824	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M-2H"	-2.014552
"827814"	298.643424	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-2H"	-2.014552
"85616"	1197.595524	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M-H"	-1.007276
"529553"	1796.896924	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M-H"	-1.007276
"905168"	598.294124	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-H"	-1.007276
"58450"	1214.622071	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M-2H+NH4"	16.019271
"492542"	1813.923471	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M-2H+NH4"	16.019271
"873628"	615.320671	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-2H+NH4"	16.019271
"40435"	1219.577466	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M-2H+Na"	20.974666
"483276"	1818.878866	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M-2H+Na"	20.974666
"858892"	620.276066	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-2H+Na"	20.974666
"1626238"	620.276066	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Na-2H"	20.974666
"99485"	616.282463	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M-H+Cl"	33.962126
"539046"	915.933163	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M-H+Cl"	33.962126
"932560"	316.631763	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-H+Cl"	33.962126
"271111"	1233.572202	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+Cl"	34.969402
"663897"	1832.873602	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+Cl"	34.969402
"1275941"	634.270802	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Cl"	34.969402
"19590"	1235.551406	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M-2H+K"	36.948606
"456966"	1834.852806	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M-2H+K"	36.948606
"841326"	636.250006	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-2H+K"	36.948606
"1557161"	636.250006	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+K-2H"	36.948606
"945043"	644.299594	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-H+HCOOH"	44.998194
"362528"	1243.601001	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+HCOOH-H"	44.998201
"346897"	1257.616651	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+Hac-H"	59.013851
"1493059"	658.315251	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Hac-H"	59.013851
"963518"	666.281551	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-H+NaCOOH"	66.980151
"112060"	634.270802	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+2Cl"	69.938804
"559642"	933.921502	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+2Cl"	69.938804
"1029537"	334.620102	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2Cl"	69.938804
"1254224"	678.220285	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Br"	78.918885
"1315943"	680.276272	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Cl+HCOOH"	80.974872
"1324692"	702.258229	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Cl+NaCOOH"	102.956829
"922312"	712.286986	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M-H+CF3COOH"	112.985586
"1296833"	748.263664	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Cl+CF3COOH"	148.962264
"1372807"	564.288724	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H-2H2O"	-35.012676
"1384837"	582.2987	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H-H2O"	-17.0027
"287803"	1199.610076	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+H"	1.007276
"683505"	1798.911476	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+H"	1.007276
"1353656"	600.308676	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H"	1.007276
"129830"	600.308676	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+2H"	2.014552
"566631"	899.959376	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+2H"	2.014552
"1040009"	300.657976	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2H"	2.014552
"206086"	400.541542666667	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+3H"	3.021828
"647471"	600.308676	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+3H"	3.021828
"1167416"	200.774409333333	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+3H"	3.021828
"429962"	1216.636623	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+NH4"	18.033823
"793144"	1815.938023	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+NH4"	18.033823
"1683641"	617.335223	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+NH4"	18.033823
"332043"	608.8219495	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+H+NH4"	19.041099
"725072"	908.4726495	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+H+NH4"	19.041099
"1481075"	309.1712495	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H+NH4"	19.041099
"397934"	1221.592018	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+Na"	22.989218
"758566"	1820.893418	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+Na"	22.989218
"1605937"	622.290618	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Na"	22.989218
"316711"	611.299647	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+H+Na"	23.996494
"708161"	910.950347	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+H+Na"	23.996494
"1470618"	311.648947	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H+Na"	23.996494
"1062042"	208.101723333333	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2H+Na"	25.00377
"1270645"	632.334886	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+CH3OH+H"	33.033486
"390678"	1237.565958	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+K"	38.963158
"750213"	1836.867358	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+K"	38.963158
"1550446"	638.264558	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+K"	38.963158
"305431"	619.286617	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+H+K"	39.970434
"698946"	918.937317	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+H+K"	39.970434
"1452400"	319.635917	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H+K"	39.970434
"238814"	1240.636626	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+ACN+H"	42.033826
"1213710"	641.335226	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+ACN+H"	42.033826
"1197954"	321.171251	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+ACN+2H"	43.041102
"197020"	1243.57396	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+2Na-H"	44.97116
"633303"	1842.87536	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+2Na-H"	44.97116
"1144472"	644.27256	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2Na-H"	44.97116
"187647"	622.290618	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+2Na"	45.978436
"624043"	921.941318	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+2Na"	45.978436
"1129737"	322.639918	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2Na"	45.978436
"1404512"	215.429037333333	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H+2Na"	46.985712
"1433344"	646.314146	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H+HCOOH"	47.012746
"223046"	627.32364	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+3H2O+2H"	56.04448
"1513654"	660.36619	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+IsoProp+H"	61.06479
"418086"	630.277588	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+Na+K"	61.952376
"772882"	929.928288	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+Na+K"	61.952376
"1673588"	330.626888	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Na+K"	61.952376
"257921"	1262.618568	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+ACN+Na"	64.015768
"1232816"	663.317168	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+ACN+Na"	64.015768
"1718422"	663.340693	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+NH4+HCOOH"	64.039293
"1182682"	222.756351333333	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+3Na"	68.967654
"1654760"	668.296088	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Na+HCOOH"	68.994688
"161990"	1275.52184	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+2K-H"	76.91904
"605202"	1874.82324	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+2K-H"	76.91904
"1091900"	676.22044	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2K-H"	76.91904
"147986"	638.264558	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"2M+2K"	77.926316
"587546"	937.915258	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"3M+2K"	77.926316
"1074245"	338.613858	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2K"	77.926316
"1104178"	678.234992	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2K+H"	78.933592
"1343847"	678.322607	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+DMSO+H"	79.021207
"1008121"	682.361776	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2ACN+H"	83.060376
"1538645"	683.355408	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+IsoProp+Na+H"	84.054008
"1003519"	341.684526	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+2ACN+2H"	84.067652
"1602028"	684.270028	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+K+HCOOH"	84.968628
"1428784"	714.301538	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+H+CF3COOH"	115.000138
"1160529"	362.197801	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+3ACN+2H"	125.094202
"1712478"	731.328085	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+NH4+CF3COOH"	132.026685
"1645730"	736.28348	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+Na+CF3COOH"	136.98208
"1584664"	752.25742	"C18003"	"Lividomycin B;3-Deoxyparomomycin I"	"C23H45N5O13"	"599.3014"	"M+K+CF3COOH"	152.95602
"808471"	534.1938	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M"	0
"975442"	515.17541	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-H2O-H"	-19.01839
"65870"	355.121924	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M-3H"	-3.021828
"511993"	533.186524	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M-3H"	-3.021828
"893075"	177.057324	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-3H"	-3.021828
"8369"	533.186524	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M-2H"	-2.014552
"453401"	800.283424	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M-2H"	-2.014552
"824640"	266.089624	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-2H"	-2.014552
"84632"	1067.380324	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M-H"	-1.007276
"527474"	1601.574124	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M-H"	-1.007276
"901994"	533.186524	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-H"	-1.007276
"53089"	1084.406871	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M-2H+NH4"	16.019271
"493743"	1618.600671	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M-2H+NH4"	16.019271
"870818"	550.213071	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-2H+NH4"	16.019271
"38354"	1089.362266	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M-2H+Na"	20.974666
"481196"	1623.556066	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M-2H+Na"	20.974666
"860095"	555.168466	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-2H+Na"	20.974666
"1628534"	555.168466	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Na-2H"	20.974666
"103970"	551.174863	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M-H+Cl"	33.962126
"538061"	818.271763	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M-H+Cl"	33.962126
"932669"	284.077963	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-H+Cl"	33.962126
"271225"	1103.357002	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+Cl"	34.969402
"668019"	1637.550802	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+Cl"	34.969402
"1282608"	569.163202	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Cl"	34.969402
"22980"	1105.336206	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M-2H+K"	36.948606
"461444"	1639.530006	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M-2H+K"	36.948606
"837062"	571.142406	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-2H+K"	36.948606
"1558727"	571.142406	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+K-2H"	36.948606
"945153"	579.191994	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-H+HCOOH"	44.998194
"363369"	1113.385801	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+HCOOH-H"	44.998201
"348347"	1127.401451	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+Hac-H"	59.013851
"1496085"	593.207651	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Hac-H"	59.013851
"961442"	601.173951	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-H+NaCOOH"	66.980151
"115815"	569.163202	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+2Cl"	69.938804
"557570"	836.260102	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+2Cl"	69.938804
"1028559"	302.066302	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2Cl"	69.938804
"1250325"	613.112685	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Br"	78.918885
"1310587"	615.168672	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Cl+HCOOH"	80.974872
"1322615"	637.150629	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Cl+NaCOOH"	102.956829
"921329"	647.179386	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M-H+CF3COOH"	112.985586
"1296943"	683.156064	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Cl+CF3COOH"	148.962264
"1374013"	499.181124	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H-2H2O"	-35.012676
"1383854"	517.1911	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H-H2O"	-17.0027
"290100"	1069.394876	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+H"	1.007276
"680335"	1603.588676	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+H"	1.007276
"1355587"	535.201076	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H"	1.007276
"130299"	535.201076	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+2H"	2.014552
"570224"	802.297976	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+2H"	2.014552
"1041939"	268.104176	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2H"	2.014552
"210572"	357.136476	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+3H"	3.021828
"650130"	535.201076	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+3H"	3.021828
"1168619"	179.071876	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+3H"	3.021828
"432258"	1086.421423	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+NH4"	18.033823
"793254"	1620.615223	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+NH4"	18.033823
"1690679"	552.227623	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+NH4"	18.033823
"338958"	543.7143495	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+H+NH4"	19.041099
"730284"	810.8112495	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+H+NH4"	19.041099
"1482281"	276.6174495	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H+NH4"	19.041099
"396221"	1091.376818	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+Na"	22.989218
"755158"	1625.570618	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+Na"	22.989218
"1604353"	557.183018	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Na"	22.989218
"315606"	546.192047	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+H+Na"	23.996494
"719825"	813.288947	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+H+Na"	23.996494
"1476407"	279.095147	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H+Na"	23.996494
"1067254"	186.39919	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2H+Na"	25.00377
"1271120"	567.227286	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+CH3OH+H"	33.033486
"391153"	1107.350758	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+K"	38.963158
"748137"	1641.544558	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+K"	38.963158
"1552377"	573.156958	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+K"	38.963158
"306270"	554.179017	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+H+K"	39.970434
"698691"	821.275917	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+H+K"	39.970434
"1450323"	287.082117	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H+K"	39.970434
"241111"	1110.421426	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+ACN+H"	42.033826
"1214913"	576.227626	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+ACN+H"	42.033826
"1198793"	288.617451	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+ACN+2H"	43.041102
"197493"	1113.35876	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+2Na-H"	44.97116
"643794"	1647.55256	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+2Na-H"	44.97116
"1146530"	579.16496	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2Na-H"	44.97116
"184592"	557.183018	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+2Na"	45.978436
"621966"	824.279918	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+2Na"	45.978436
"1121463"	290.086118	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2Na"	45.978436
"1407901"	193.726504	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H+2Na"	46.985712
"1436009"	581.206546	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H+HCOOH"	47.012746
"225341"	562.21604	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+3H2O+2H"	56.04448
"1514496"	595.25859	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+IsoProp+H"	61.06479
"418560"	565.169988	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+Na+K"	61.952376
"778464"	832.266888	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+Na+K"	61.952376
"1673698"	298.073088	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Na+K"	61.952376
"260219"	1132.403368	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+ACN+Na"	64.015768
"1234019"	598.209568	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+ACN+Na"	64.015768
"1719625"	598.233093	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+NH4+HCOOH"	64.039293
"1186070"	201.053818	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+3Na"	68.967654
"1655963"	603.188488	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Na+HCOOH"	68.994688
"163923"	1145.30664	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+2K-H"	76.91904
"599113"	1679.50044	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+2K-H"	76.91904
"1087998"	611.11284	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2K-H"	76.91904
"148096"	573.156958	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"2M+2K"	77.926316
"586562"	840.253858	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"3M+2K"	77.926316
"1077644"	306.060058	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2K"	77.926316
"1104290"	613.127392	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2K+H"	78.933592
"1343957"	613.215007	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+DMSO+H"	79.021207
"1017961"	617.254176	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2ACN+H"	83.060376
"1536084"	618.247808	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+IsoProp+Na+H"	84.054008
"1005455"	309.130726	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+2ACN+2H"	84.067652
"1601412"	619.162428	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+K+HCOOH"	84.968628
"1428893"	649.193938	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+H+CF3COOH"	115.000138
"1160639"	329.644001	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+3ACN+2H"	125.094202
"1705815"	666.220485	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+NH4+CF3COOH"	132.026685
"1643652"	671.17588	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+Na+CF3COOH"	136.98208
"1584774"	687.14982	"C18004"	"5-Phosphoribostamycin"	"C17H35N4O13P"	"534.1938"	"M+K+CF3COOH"	152.95602
"808581"	684.3178	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M"	0
"975552"	665.29941	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-H2O-H"	-19.01839
"64887"	455.204590666667	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M-3H"	-3.021828
"511010"	683.310524	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M-3H"	-3.021828
"890999"	227.098657333333	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-3H"	-3.021828
"6293"	683.310524	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M-2H"	-2.014552
"454604"	1025.469424	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M-2H"	-2.014552
"822564"	341.151624	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-2H"	-2.014552
"82556"	1367.628324	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M-H"	-1.007276
"525398"	2051.946124	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M-H"	-1.007276
"899918"	683.310524	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-H"	-1.007276
"50648"	1384.654871	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M-2H+NH4"	16.019271
"492760"	2068.972671	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M-2H+NH4"	16.019271
"868376"	700.337071	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-2H+NH4"	16.019271
"38464"	1389.610266	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M-2H+Na"	20.974666
"480213"	2073.928066	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M-2H+Na"	20.974666
"858018"	705.292466	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-2H+Na"	20.974666
"1628644"	705.292466	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Na-2H"	20.974666
"101893"	701.298863	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M-H+Cl"	33.962126
"541451"	1043.457763	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M-H+Cl"	33.962126
"929499"	359.139963	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-H+Cl"	33.962126
"271335"	1403.605002	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+Cl"	34.969402
"668129"	2087.922802	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+Cl"	34.969402
"1282718"	719.287202	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Cl"	34.969402
"25277"	1405.584206	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M-2H+K"	36.948606
"461554"	2089.902006	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M-2H+K"	36.948606
"838264"	721.266406	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-2H+K"	36.948606
"1561020"	721.266406	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+K-2H"	36.948606
"946356"	729.315994	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-H+HCOOH"	44.998194
"363479"	1413.633801	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+HCOOH-H"	44.998201
"346635"	1427.649451	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+Hac-H"	59.013851
"1494129"	743.331651	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Hac-H"	59.013851
"960455"	751.297951	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-H+NaCOOH"	66.980151
"119205"	719.287202	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+2Cl"	69.938804
"559867"	1061.446102	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+2Cl"	69.938804
"1030855"	377.128302	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2Cl"	69.938804
"1250435"	763.236685	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Br"	78.918885
"1309604"	765.292672	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Cl+HCOOH"	80.974872
"1322725"	787.274629	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Cl+NaCOOH"	102.956829
"919253"	797.303386	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M-H+CF3COOH"	112.985586
"1297053"	833.280064	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Cl+CF3COOH"	148.962264
"1375216"	649.305124	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H-2H2O"	-35.012676
"1386151"	667.3151	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H-H2O"	-17.0027
"290210"	1369.642876	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+H"	1.007276
"682632"	2053.960676	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+H"	1.007276
"1355697"	685.325076	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H"	1.007276
"130045"	685.325076	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+2H"	2.014552
"569972"	1027.483976	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+2H"	2.014552
"1042415"	343.166176	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2H"	2.014552
"211411"	457.219142666667	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+3H"	3.021828
"650604"	685.325076	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+3H"	3.021828
"1169460"	229.113209333333	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+3H"	3.021828
"432368"	1386.669423	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+NH4"	18.033823
"792271"	2070.987223	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+NH4"	18.033823
"1689696"	702.351623	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+NH4"	18.033823
"336514"	693.8383495	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+H+NH4"	19.041099
"728935"	1035.9972495	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+H+NH4"	19.041099
"1480570"	351.6794495	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H+NH4"	19.041099
"395602"	1391.624818	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+Na"	22.989218
"757694"	2075.942618	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+Na"	22.989218
"1602736"	707.307018	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Na"	22.989218
"315595"	696.316047	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+H+Na"	23.996494
"718841"	1038.474947	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+H+Na"	23.996494
"1476433"	354.157147	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H+Na"	23.996494
"1065906"	236.440523333333	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2H+Na"	25.00377
"1270865"	717.351286	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+CH3OH+H"	33.033486
"391627"	1407.598758	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+K"	38.963158
"748248"	2091.916558	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+K"	38.963158
"1551394"	723.280958	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+K"	38.963158
"308567"	704.303017	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+H+K"	39.970434
"696613"	1046.461917	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+H+K"	39.970434
"1451526"	362.144117	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H+K"	39.970434
"240127"	1410.669426	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+ACN+H"	42.033826
"1215023"	726.351626	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+ACN+H"	42.033826
"1199632"	363.679451	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+ACN+2H"	43.041102
"196145"	1413.60676	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+2Na-H"	44.97116
"643376"	2097.92456	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+2Na-H"	44.97116
"1145786"	729.28896	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2Na-H"	44.97116
"181422"	707.307018	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+2Na"	45.978436
"618796"	1049.465918	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+2Na"	45.978436
"1120480"	365.148118	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2Na"	45.978436
"1406918"	243.767837333333	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H+2Na"	46.985712
"1433933"	731.330546	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H+HCOOH"	47.012746
"223993"	712.34004	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+3H2O+2H"	56.04448
"1514970"	745.38259	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+IsoProp+H"	61.06479
"416484"	715.293988	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+Na+K"	61.952376
"777481"	1057.452888	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+Na+K"	61.952376
"1671622"	373.135088	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Na+K"	61.952376
"259236"	1432.651368	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+ACN+Na"	64.015768
"1231943"	748.333568	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+ACN+Na"	64.015768
"1718642"	748.357093	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+NH4+HCOOH"	64.039293
"1186180"	251.095151333333	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+3Na"	68.967654
"1655708"	753.312488	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Na+HCOOH"	68.994688
"160753"	1445.55464	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+2K-H"	76.91904
"600316"	2129.87244	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+2K-H"	76.91904
"1087015"	761.23684	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2K-H"	76.91904
"142859"	723.280958	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"2M+2K"	77.926316
"585579"	1065.439858	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"3M+2K"	77.926316
"1076661"	381.122058	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2K"	77.926316
"1103306"	763.251392	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2K+H"	78.933592
"1344067"	763.339007	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+DMSO+H"	79.021207
"1015884"	767.378176	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2ACN+H"	83.060376
"1534008"	768.371808	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+IsoProp+Na+H"	84.054008
"1005199"	384.192726	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+2ACN+2H"	84.067652
"1601158"	769.286428	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+K+HCOOH"	84.968628
"1425723"	799.317938	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+H+CF3COOH"	115.000138
"1160385"	404.706001	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+3ACN+2H"	125.094202
"1702645"	816.344485	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+NH4+CF3COOH"	132.026685
"1640482"	821.29988	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+Na+CF3COOH"	136.98208
"1584884"	837.27382	"C18005"	"gamma-L-Glutamyl-butirosin B"	"C26H48N6O15"	"684.3178"	"M+K+CF3COOH"	152.95602
"811978"	954.4092	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M"	0
"985510"	935.39081	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-H2O-H"	-19.01839
"77034"	635.265524	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M-3H"	-3.021828
"514406"	953.401924	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M-3H"	-3.021828
"893299"	317.129124	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-3H"	-3.021828
"14061"	953.401924	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M-2H"	-2.014552
"451434"	1430.606524	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M-2H"	-2.014552
"825956"	476.197324	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-2H"	-2.014552
"91416"	1907.811124	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M-H"	-1.007276
"523321"	2862.220324	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M-H"	-1.007276
"898202"	953.401924	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-H"	-1.007276
"50760"	1924.837671	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M-2H+NH4"	16.019271
"488860"	2879.246871	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M-2H+NH4"	16.019271
"868124"	970.428471	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-2H+NH4"	16.019271
"34202"	1929.793066	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M-2H+Na"	20.974666
"472669"	2884.202266	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M-2H+Na"	20.974666
"851564"	975.383866	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-2H+Na"	20.974666
"1618945"	975.383866	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Na-2H"	20.974666
"97260"	971.390263	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M-H+Cl"	33.962126
"537181"	1448.594863	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M-H+Cl"	33.962126
"928875"	494.185663	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-H+Cl"	33.962126
"269618"	1943.787802	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+Cl"	34.969402
"662040"	2898.197002	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+Cl"	34.969402
"1275178"	989.378602	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Cl"	34.969402
"17734"	1945.767006	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M-2H+K"	36.948606
"456571"	2900.176206	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M-2H+K"	36.948606
"833642"	991.357806	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-2H+K"	36.948606
"1557858"	991.357806	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+K-2H"	36.948606
"946472"	999.407394	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-H+HCOOH"	44.998194
"362621"	1953.816601	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+HCOOH-H"	44.998201
"347478"	1967.832251	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+Hac-H"	59.013851
"1494489"	1013.423051	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Hac-H"	59.013851
"970430"	1021.389351	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-H+NaCOOH"	66.980151
"122252"	989.378602	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+2Cl"	69.938804
"559989"	1466.583202	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+2Cl"	69.938804
"1032072"	512.174002	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2Cl"	69.938804
"1249465"	1033.328085	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Br"	78.918885
"1317377"	1035.384072	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Cl+HCOOH"	80.974872
"1333414"	1057.366029	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Cl+NaCOOH"	102.956829
"921555"	1067.394786	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M-H+CF3COOH"	112.985586
"1296074"	1103.371464	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Cl+CF3COOH"	148.962264
"1373143"	919.396524	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H-2H2O"	-35.012676
"1392466"	937.4065	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H-H2O"	-17.0027
"290330"	1909.825676	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+H"	1.007276
"686029"	2864.234876	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+H"	1.007276
"1356910"	955.416476	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H"	1.007276
"126877"	955.416476	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+2H"	2.014552
"569360"	1432.621076	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+2H"	2.014552
"1038885"	478.211876	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2H"	2.014552
"208243"	637.280076	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+3H"	3.021828
"645982"	955.416476	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+3H"	3.021828
"1163739"	319.143676	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+3H"	3.021828
"427014"	1926.852223	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+NH4"	18.033823
"797862"	2881.261423	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+NH4"	18.033823
"1689818"	972.443023	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+NH4"	18.033823
"331531"	963.9297495	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+H+NH4"	19.041099
"730520"	1441.1343495	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+H+NH4"	19.041099
"1486530"	486.7251495	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H+NH4"	19.041099
"401932"	1931.807618	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+Na"	22.989218
"769895"	2886.216818	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+Na"	22.989218
"1618283"	977.398418	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Na"	22.989218
"329660"	966.407447	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+H+Na"	23.996494
"722367"	1443.612047	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+H+Na"	23.996494
"1476994"	489.202847	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H+Na"	23.996494
"1068373"	326.47099	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2H+Na"	25.00377
"1270977"	987.442686	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+CH3OH+H"	33.033486
"390644"	1947.781558	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+K"	38.963158
"751639"	2902.190758	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+K"	38.963158
"1549315"	993.372358	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+K"	38.963158
"303209"	974.394417	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+H+K"	39.970434
"695629"	1451.599017	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+H+K"	39.970434
"1451637"	497.189817	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H+K"	39.970434
"239145"	1950.852226	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+ACN+H"	42.033826
"1225238"	996.443026	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+ACN+H"	42.033826
"1208391"	498.725151	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+ACN+2H"	43.041102
"201383"	1953.78956	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+2Na-H"	44.97116
"640210"	2908.19876	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+2Na-H"	44.97116
"1143350"	999.38036	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2Na-H"	44.97116
"181535"	977.398418	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+2Na"	45.978436
"621103"	1454.603018	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+2Na"	45.978436
"1127160"	500.193818	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2Na"	45.978436
"1403757"	333.798304	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H+2Na"	46.985712
"1438059"	1001.421946	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H+HCOOH"	47.012746
"228852"	982.43144	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+3H2O+2H"	56.04448
"1511445"	1015.47399	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+IsoProp+H"	61.06479
"415503"	985.385388	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+Na+K"	61.952376
"774312"	1462.589988	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+Na+K"	61.952376
"1669185"	508.180788	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Na+K"	61.952376
"258258"	1972.834168	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+ACN+Na"	64.015768
"1232063"	1018.424968	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+ACN+Na"	64.015768
"1717303"	1018.448493	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+NH4+HCOOH"	64.039293
"1182294"	341.125618	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+3Na"	68.967654
"1654008"	1023.403888	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Na+HCOOH"	68.994688
"161968"	1985.73744	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+2K-H"	76.91904
"603717"	2940.14664	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+2K-H"	76.91904
"1098076"	1031.32824	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2K-H"	76.91904
"154892"	993.372358	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"2M+2K"	77.926316
"593359"	1470.576958	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"3M+2K"	77.926316
"1077875"	516.167758	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2K"	77.926316
"1115095"	1033.342792	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2K+H"	78.933592
"1349654"	1033.430407	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+DMSO+H"	79.021207
"1020254"	1037.469576	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2ACN+H"	83.060376
"1539230"	1038.463208	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+IsoProp+Na+H"	84.054008
"1004946"	519.238426	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+2ACN+2H"	84.067652
"1598356"	1039.377828	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+K+HCOOH"	84.968628
"1424015"	1069.409338	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+H+CF3COOH"	115.000138
"1160867"	539.751701	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+3ACN+2H"	125.094202
"1708230"	1086.435885	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+NH4+CF3COOH"	132.026685
"1643880"	1091.39128	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+Na+CF3COOH"	136.98208
"1584998"	1107.36522	"C18010"	"Deltorphin A;Dermenkephalin"	"C44H62N10O10S2"	"954.4092"	"M+K+CF3COOH"	152.95602
"816666"	140.0837	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M"	0
"988535"	121.06531	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-H2O-H"	-19.01839
"78119"	92.3818573333333	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M-3H"	-3.021828
"514516"	139.076424	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M-3H"	-3.021828
"893409"	45.6872906666667	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-3H"	-3.021828
"13078"	139.076424	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M-2H"	-2.014552
"449357"	209.118274	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M-2H"	-2.014552
"826066"	69.034574	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-2H"	-2.014552
"87153"	279.160124	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M-H"	-1.007276
"523431"	419.243824	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M-H"	-1.007276
"896854"	139.076424	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-H"	-1.007276
"51599"	296.186671	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M-2H+NH4"	16.019271
"488969"	436.270371	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M-2H+NH4"	16.019271
"870057"	156.102971	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-2H+NH4"	16.019271
"35407"	301.142066	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M-2H+Na"	20.974666
"473142"	441.225766	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M-2H+Na"	20.974666
"851310"	161.058366	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-2H+Na"	20.974666
"1618693"	161.058366	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Na-2H"	20.974666
"97005"	157.064763	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M-H+Cl"	33.962126
"536195"	227.106613	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M-H+Cl"	33.962126
"929347"	87.022913	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-H+Cl"	33.962126
"268998"	315.136802	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+Cl"	34.969402
"661300"	455.220502	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+Cl"	34.969402
"1274190"	175.053102	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Cl"	34.969402
"16305"	317.116006	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M-2H+K"	36.948606
"456397"	457.199706	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M-2H+K"	36.948606
"834117"	177.032306	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-2H+K"	36.948606
"1556875"	177.032306	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+K-2H"	36.948606
"943666"	185.081894	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-H+HCOOH"	44.998194
"362974"	325.165601	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+HCOOH-H"	44.998201
"348316"	339.181251	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+Hac-H"	59.013851
"1495327"	199.097551	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Hac-H"	59.013851
"972359"	207.063851	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-H+NaCOOH"	66.980151
"123820"	175.053102	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+2Cl"	69.938804
"561192"	245.094952	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+2Cl"	69.938804
"1034003"	105.011252	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2Cl"	69.938804
"1251761"	219.002585	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Br"	78.918885
"1319430"	221.058572	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Cl+HCOOH"	80.974872
"1333887"	243.040529	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Cl+NaCOOH"	102.956829
"921665"	253.069286	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M-H+CF3COOH"	112.985586
"1296184"	289.045964	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Cl+CF3COOH"	148.962264
"1373253"	105.071024	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H-2H2O"	-35.012676
"1394034"	123.081	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H-H2O"	-17.0027
"291534"	281.174676	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+H"	1.007276
"686504"	421.258376	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+H"	1.007276
"1357020"	141.090976	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H"	1.007276
"127472"	141.090976	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+2H"	2.014552
"569470"	211.132826	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+2H"	2.014552
"1040088"	71.049126	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2H"	2.014552
"207258"	94.3964093333333	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+3H"	3.021828
"646821"	141.090976	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+3H"	3.021828
"1164457"	47.7018426666667	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+3H"	3.021828
"427485"	298.201223	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+NH4"	18.033823
"795786"	438.284923	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+NH4"	18.033823
"1687741"	158.117523	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+NH4"	18.033823
"332005"	149.6042495	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+H+NH4"	19.041099
"725890"	219.6460995	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+H+NH4"	19.041099
"1481171"	79.5623995	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H+NH4"	19.041099
"397668"	303.156618	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+Na"	22.989218
"769611"	443.240318	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+Na"	22.989218
"1617707"	163.072918	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Na"	22.989218
"329444"	152.081947	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+H+Na"	23.996494
"722599"	222.123797	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+H+Na"	23.996494
"1476999"	82.040097	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H+Na"	23.996494
"1068198"	55.0291566666667	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2H+Na"	25.00377
"1270239"	173.117186	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+CH3OH+H"	33.033486
"387475"	319.130558	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+K"	38.963158
"751023"	459.214258	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+K"	38.963158
"1547239"	179.046858	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+K"	38.963158
"302226"	160.068917	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+H+K"	39.970434
"696833"	230.110767	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+H+K"	39.970434
"1452841"	90.027067	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H+K"	39.970434
"240350"	322.201226	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+ACN+H"	42.033826
"1224980"	182.117526	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+ACN+H"	42.033826
"1208258"	91.562401	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+ACN+2H"	43.041102
"203316"	325.13856	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+2Na-H"	44.97116
"641412"	465.22226	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+2Na-H"	44.97116
"1142730"	185.05486	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2Na-H"	44.97116
"181645"	163.072918	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+2Na"	45.978436
"624131"	233.114768	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+2Na"	45.978436
"1129094"	93.031068	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2Na"	45.978436
"1409334"	62.3564706666667	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H+2Na"	46.985712
"1441451"	187.096446	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H+HCOOH"	47.012746
"230055"	168.10594	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+3H2O+2H"	56.04448
"1515929"	201.14849	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+IsoProp+H"	61.06479
"415613"	171.059888	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+Na+K"	61.952376
"774422"	241.101738	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+Na+K"	61.952376
"1668931"	101.018038	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Na+K"	61.952376
"257269"	344.183168	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+ACN+Na"	64.015768
"1232174"	204.099468	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+ACN+Na"	64.015768
"1718141"	204.122993	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+NH4+HCOOH"	64.039293
"1182039"	69.6837846666667	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+3Na"	68.967654
"1653020"	209.078388	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Na+HCOOH"	68.994688
"162078"	357.08644	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+2K-H"	76.91904
"603827"	497.17014	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+2K-H"	76.91904
"1099652"	217.00274	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2K-H"	76.91904
"155002"	179.046858	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"2M+2K"	77.926316
"594562"	249.088708	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"3M+2K"	77.926316
"1083699"	109.005008	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2K"	77.926316
"1114841"	219.017292	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2K+H"	78.933592
"1349764"	219.104907	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+DMSO+H"	79.021207
"1020978"	223.144076	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2ACN+H"	83.060376
"1538245"	224.137708	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+IsoProp+Na+H"	84.054008
"1003963"	112.075676	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+2ACN+2H"	84.067652
"1600653"	225.052328	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+K+HCOOH"	84.968628
"1426312"	255.083838	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+H+CF3COOH"	115.000138
"1160977"	132.588951	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+3ACN+2H"	125.094202
"1708340"	272.110385	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+NH4+CF3COOH"	132.026685
"1649336"	277.06578	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+Na+CF3COOH"	136.98208
"1585108"	293.03972	"C18011"	"7-Hydroxy-6-methylhepta-35-dienal"	"C8H12O2"	"140.0837"	"M+K+CF3COOH"	152.95602
"815476"	206.0215	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M"	0
"988283"	187.00311	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-H2O-H"	-19.01839
"77859"	136.340390666667	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M-3H"	-3.021828
"517543"	205.014224	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M-3H"	-3.021828
"886959"	67.6665573333333	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-3H"	-3.021828
"14160"	205.014224	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M-2H"	-2.014552
"448374"	308.024974	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M-2H"	-2.014552
"827269"	102.003474	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-2H"	-2.014552
"87263"	411.035724	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M-H"	-1.007276
"523541"	617.057224	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M-H"	-1.007276
"896721"	205.014224	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-H"	-1.007276
"50616"	428.062271	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M-2H+NH4"	16.019271
"489808"	634.083771	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M-2H+NH4"	16.019271
"870167"	222.040771	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-2H+NH4"	16.019271
"35518"	433.017666	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M-2H+Na"	20.974666
"473252"	639.039166	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M-2H+Na"	20.974666
"851784"	226.996166	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-2H+Na"	20.974666
"1619857"	226.996166	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Na-2H"	20.974666
"97844"	223.002563	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M-H+Cl"	33.962126
"535942"	326.013313	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M-H+Cl"	33.962126
"928728"	119.991813	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-H+Cl"	33.962126
"269473"	447.012402	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+Cl"	34.969402
"661532"	653.033902	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+Cl"	34.969402
"1280862"	240.990902	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Cl"	34.969402
"19044"	448.991606	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M-2H+K"	36.948606
"458611"	655.013106	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M-2H+K"	36.948606
"837505"	242.970106	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-2H+K"	36.948606
"1560992"	242.970106	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+K-2H"	36.948606
"945592"	251.019694	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-H+HCOOH"	44.998194
"365994"	457.041201	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+HCOOH-H"	44.998201
"347691"	471.056851	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+Hac-H"	59.013851
"1495801"	265.035351	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Hac-H"	59.013851
"966268"	273.001651	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-H+NaCOOH"	66.980151
"123564"	240.990902	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+2Cl"	69.938804
"562396"	344.001652	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+2Cl"	69.938804
"1034114"	137.980152	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2Cl"	69.938804
"1250777"	284.940385	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Br"	78.918885
"1316501"	286.996372	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Cl+HCOOH"	80.974872
"1332903"	308.978329	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Cl+NaCOOH"	102.956829
"917400"	319.007086	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M-H+CF3COOH"	112.985586
"1294107"	354.983764	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Cl+CF3COOH"	148.962264
"1373363"	171.008824	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H-2H2O"	-35.012676
"1393050"	189.0188	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H-H2O"	-17.0027
"292737"	413.050276	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+H"	1.007276
"686249"	619.071776	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+H"	1.007276
"1357130"	207.028776	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H"	1.007276
"126734"	207.028776	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+2H"	2.014552
"569580"	310.039526	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+2H"	2.014552
"1040198"	104.018026	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2H"	2.014552
"206640"	138.354942666667	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+3H"	3.021828
"647295"	207.028776	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+3H"	3.021828
"1164325"	69.6811093333333	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+3H"	3.021828
"426502"	430.076823	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+NH4"	18.033823
"791520"	636.098323	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+NH4"	18.033823
"1687851"	224.055323	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+NH4"	18.033823
"332480"	215.5420495	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+H+NH4"	19.041099
"726000"	318.5527995	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+H+NH4"	19.041099
"1481278"	112.5312995	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H+NH4"	19.041099
"398868"	435.032218	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+Na"	22.989218
"768013"	641.053718	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+Na"	22.989218
"1615869"	229.010718	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Na"	22.989218
"328213"	218.019747	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+H+Na"	23.996494
"721248"	321.030497	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+H+Na"	23.996494
"1475064"	115.008997	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H+Na"	23.996494
"1066001"	77.0084233333333	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2H+Na"	25.00377
"1266823"	239.054986	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+CH3OH+H"	33.033486
"385398"	451.006158	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+K"	38.963158
"748579"	657.027658	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+K"	38.963158
"1549535"	244.984658	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+K"	38.963158
"303430"	226.006717	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+H+K"	39.970434
"698038"	329.017467	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+H+K"	39.970434
"1448576"	122.995967	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H+K"	39.970434
"245929"	454.076826	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+ACN+H"	42.033826
"1224725"	248.055326	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+ACN+H"	42.033826
"1208004"	124.531301	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+ACN+2H"	43.041102
"202697"	457.01416	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+2Na-H"	44.97116
"641522"	663.03566	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+2Na-H"	44.97116
"1140653"	250.99266	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2Na-H"	44.97116
"181755"	229.010718	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+2Na"	45.978436
"624241"	332.021468	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+2Na"	45.978436
"1128107"	125.999968	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2Na"	45.978436
"1410903"	84.3357373333333	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H+2Na"	46.985712
"1443019"	253.034246	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H+HCOOH"	47.012746
"231258"	234.04374	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+3H2O+2H"	56.04448
"1517132"	267.08629	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+IsoProp+H"	61.06479
"412443"	236.997688	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+Na+K"	61.952376
"775625"	340.008438	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+Na+K"	61.952376
"1668676"	133.986938	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Na+K"	61.952376
"255192"	476.058768	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+ACN+Na"	64.015768
"1232283"	270.037268	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+ACN+Na"	64.015768
"1714607"	270.060793	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+NH4+HCOOH"	64.039293
"1181056"	91.6630513333333	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+3Na"	68.967654
"1650944"	275.016188	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Na+HCOOH"	68.994688
"162188"	488.96204	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+2K-H"	76.91904
"603937"	694.98354	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+2K-H"	76.91904
"1098295"	282.94054	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2K-H"	76.91904
"154018"	244.984658	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"2M+2K"	77.926316
"592485"	347.995408	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"3M+2K"	77.926316
"1082714"	141.973908	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2K"	77.926316
"1114950"	284.955092	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2K+H"	78.933592
"1350362"	285.042707	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+DMSO+H"	79.021207
"1019503"	289.081876	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2ACN+H"	83.060376
"1538356"	290.075508	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+IsoProp+Na+H"	84.054008
"1005410"	145.044576	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+2ACN+2H"	84.067652
"1601130"	290.990128	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+K+HCOOH"	84.968628
"1428609"	321.021638	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+H+CF3COOH"	115.000138
"1159995"	165.557851	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+3ACN+2H"	125.094202
"1711366"	338.048185	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+NH4+CF3COOH"	132.026685
"1648474"	343.00358	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+Na+CF3COOH"	136.98208
"1585218"	358.97752	"C18012"	"Flaviolin;257-Trihydroxy-14-naphthalenedione"	"C10H6O5"	"206.0215"	"M+K+CF3COOH"	152.95602
"815586"	410.0274	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M"	0
"986933"	391.00901	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H2O-H"	-19.01839
"75174"	272.344324	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-3H"	-3.021828
"509267"	409.020124	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-3H"	-3.021828
"885974"	135.668524	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-3H"	-3.021828
"7831"	409.020124	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H"	-2.014552
"444473"	614.033824	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H"	-2.014552
"826286"	204.006424	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H"	-2.014552
"89559"	819.047524	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-H"	-1.007276
"525837"	1229.074924	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-H"	-1.007276
"897804"	409.020124	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H"	-1.007276
"53642"	836.074071	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H+NH4"	16.019271
"491013"	1246.101471	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H+NH4"	16.019271
"871006"	426.046671	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H+NH4"	16.019271
"37815"	841.029466	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H+Na"	20.974666
"476282"	1251.056866	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H+Na"	20.974666
"854082"	431.002066	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H+Na"	20.974666
"1621428"	431.002066	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na-2H"	20.974666
"99413"	427.008463	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-H+Cl"	33.962126
"536782"	632.022163	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-H+Cl"	33.962126
"930662"	221.994763	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+Cl"	33.962126
"272136"	855.024202	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Cl"	34.969402
"664194"	1265.051602	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+Cl"	34.969402
"1280972"	444.996802	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl"	34.969402
"21341"	857.003406	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H+K"	36.948606
"457748"	1267.030806	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H+K"	36.948606
"837615"	446.976006	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H+K"	36.948606
"1563289"	446.976006	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K-2H"	36.948606
"945702"	455.025594	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+HCOOH"	44.998194
"366104"	865.053001	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+HCOOH-H"	44.998201
"347803"	879.068651	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Hac-H"	59.013851
"1495541"	469.041251	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Hac-H"	59.013851
"960170"	477.007551	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+NaCOOH"	66.980151
"111629"	444.996802	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2Cl"	69.938804
"551555"	650.010502	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2Cl"	69.938804
"1029113"	239.983102	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2Cl"	69.938804
"1248689"	488.946285	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Br"	78.918885
"1312230"	491.002272	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl+HCOOH"	80.974872
"1320978"	512.984229	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl+NaCOOH"	102.956829
"913861"	523.012986	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+CF3COOH"	112.985586
"1289230"	558.989664	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl+CF3COOH"	148.962264
"1371279"	375.014724	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H-2H2O"	-35.012676
"1384401"	393.0247	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H-H2O"	-17.0027
"284819"	821.062076	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H"	1.007276
"675860"	1231.089476	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H"	1.007276
"1351475"	411.034676	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H"	1.007276
"126843"	411.034676	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2H"	2.014552
"566401"	616.048376	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2H"	2.014552
"1038236"	206.020976	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2H"	2.014552
"205652"	274.358876	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+3H"	3.021828
"645329"	411.034676	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+3H"	3.021828
"1163821"	137.683076	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+3H"	3.021828
"427339"	838.088623	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+NH4"	18.033823
"789797"	1248.116023	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+NH4"	18.033823
"1682118"	428.061223	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+NH4"	18.033823
"332955"	419.5479495	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H+NH4"	19.041099
"725010"	624.5616495	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H+NH4"	19.041099
"1477733"	214.5342495	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+NH4"	19.041099
"398977"	843.044018	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Na"	22.989218
"761069"	1253.071418	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+Na"	22.989218
"1611356"	433.016618	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na"	22.989218
"329658"	422.025647	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H+Na"	23.996494
"722094"	627.039347	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H+Na"	23.996494
"1475780"	217.011947	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+Na"	23.996494
"1068284"	145.01039	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2H+Na"	25.00377
"1269119"	443.060886	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+CH3OH+H"	33.033486
"387694"	859.017958	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+K"	38.963158
"746502"	1269.045358	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+K"	38.963158
"1546365"	448.990558	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K"	38.963158
"300260"	430.012617	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H+K"	39.970434
"694136"	635.026317	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H+K"	39.970434
"1449414"	224.998917	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+K"	39.970434
"244946"	862.088626	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+ACN+H"	42.033826
"1224836"	452.061226	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+ACN+H"	42.033826
"1207747"	226.534251	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+ACN+2H"	43.041102
"202928"	865.02596	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2Na-H"	44.97116
"641632"	1275.05336	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2Na-H"	44.97116
"1138576"	454.99856	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2Na-H"	44.97116
"181865"	433.016618	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2Na"	45.978436
"626537"	638.030318	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2Na"	45.978436
"1128946"	228.002918	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2Na"	45.978436
"1412349"	152.337704	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+2Na"	46.985712
"1440575"	457.040146	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+HCOOH"	47.012746
"231368"	438.04964	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+3H2O+2H"	56.04448
"1519429"	471.09219	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+IsoProp+H"	61.06479
"413646"	441.003588	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Na+K"	61.952376
"775735"	646.017288	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+Na+K"	61.952376
"1668786"	235.989888	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na+K"	61.952376
"259676"	884.070568	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+ACN+Na"	64.015768
"1233486"	474.043168	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+ACN+Na"	64.015768
"1716903"	474.066693	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+NH4+HCOOH"	64.039293
"1182259"	159.665018	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+3Na"	68.967654
"1651054"	479.022088	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na+HCOOH"	68.994688
"161200"	896.97384	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2K-H"	76.91904
"604047"	1307.00124	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2K-H"	76.91904
"1098892"	486.94644	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2K-H"	76.91904
"155221"	448.990558	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2K"	77.926316
"595632"	654.004258	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2K"	77.926316
"1082585"	243.976858	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2K"	77.926316
"1115184"	488.960992	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2K+H"	78.933592
"1350593"	489.048607	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+DMSO+H"	79.021207
"1019736"	493.087776	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2ACN+H"	83.060376
"1538830"	494.081408	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+IsoProp+Na+H"	84.054008
"1005321"	247.047526	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2ACN+2H"	84.067652
"1600510"	494.996028	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K+HCOOH"	84.968628
"1427628"	525.027538	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+CF3COOH"	115.000138
"1157917"	267.560801	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+3ACN+2H"	125.094202
"1710747"	542.054085	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+NH4+CF3COOH"	132.026685
"1648220"	547.00948	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na+CF3COOH"	136.98208
"1585328"	562.98342	"C18013"	"33-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K+CF3COOH"	152.95602
"814603"	410.0274	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M"	0
"987772"	391.00901	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H2O-H"	-19.01839
"76743"	272.344324	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-3H"	-3.021828
"509377"	409.020124	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-3H"	-3.021828
"890459"	135.668524	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-3H"	-3.021828
"13409"	409.020124	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H"	-2.014552
"448594"	614.033824	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H"	-2.014552
"823116"	204.006424	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H"	-2.014552
"88576"	819.047524	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-H"	-1.007276
"525948"	1229.074924	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-H"	-1.007276
"901562"	409.020124	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H"	-1.007276
"53752"	836.074071	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H+NH4"	16.019271
"493313"	1246.101471	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H+NH4"	16.019271
"871115"	426.046671	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H+NH4"	16.019271
"36102"	841.029466	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H+Na"	20.974666
"480767"	1251.056866	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H+Na"	20.974666
"854193"	431.002066	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H+Na"	20.974666
"1624819"	431.002066	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na-2H"	20.974666
"101347"	427.008463	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-H+Cl"	33.962126
"537258"	632.022163	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-H+Cl"	33.962126
"930775"	221.994763	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+Cl"	33.962126
"272976"	855.024202	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Cl"	34.969402
"667585"	1265.051602	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+Cl"	34.969402
"1283271"	444.996802	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl"	34.969402
"25826"	857.003406	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M-2H+K"	36.948606
"461016"	1267.030806	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M-2H+K"	36.948606
"837725"	446.976006	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-2H+K"	36.948606
"1559025"	446.976006	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K-2H"	36.948606
"947998"	455.025594	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+HCOOH"	44.998194
"364031"	865.053001	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+HCOOH-H"	44.998201
"351192"	879.068651	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Hac-H"	59.013851
"1495653"	469.041251	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Hac-H"	59.013851
"961739"	477.007551	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+NaCOOH"	66.980151
"111981"	444.996802	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2Cl"	69.938804
"552029"	650.010502	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2Cl"	69.938804
"1023744"	239.983102	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2Cl"	69.938804
"1247706"	488.946285	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Br"	78.918885
"1310518"	491.002272	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl+HCOOH"	80.974872
"1324370"	512.984229	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl+NaCOOH"	102.956829
"913971"	523.012986	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M-H+CF3COOH"	112.985586
"1294324"	558.989664	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Cl+CF3COOH"	148.962264
"1380137"	375.014724	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H-2H2O"	-35.012676
"1386700"	393.0247	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H-H2O"	-17.0027
"284685"	821.062076	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H"	1.007276
"677347"	1231.089476	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H"	1.007276
"1354064"	411.034676	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H"	1.007276
"127075"	411.034676	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2H"	2.014552
"567969"	616.048376	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2H"	2.014552
"1039687"	206.020976	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2H"	2.014552
"206858"	274.358876	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+3H"	3.021828
"647875"	411.034676	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+3H"	3.021828
"1165634"	137.683076	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+3H"	3.021828
"429274"	838.088623	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+NH4"	18.033823
"790638"	1248.116023	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+NH4"	18.033823
"1682228"	428.061223	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+NH4"	18.033823
"333793"	419.5479495	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H+NH4"	19.041099
"727671"	624.5616495	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H+NH4"	19.041099
"1480399"	214.5342495	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+NH4"	19.041099
"401273"	843.044018	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Na"	22.989218
"762271"	1253.071418	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+Na"	22.989218
"1613652"	433.016618	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na"	22.989218
"322593"	422.025647	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H+Na"	23.996494
"722556"	627.039347	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H+Na"	23.996494
"1476252"	217.011947	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+Na"	23.996494
"1068412"	145.01039	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2H+Na"	25.00377
"1269231"	443.060886	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+CH3OH+H"	33.033486
"389992"	859.017958	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+K"	38.963158
"749893"	1269.045358	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+K"	38.963158
"1547570"	448.990558	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K"	38.963158
"301464"	430.012617	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+H+K"	39.970434
"694248"	635.026317	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+H+K"	39.970434
"1448797"	224.998917	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+K"	39.970434
"246149"	862.088626	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+ACN+H"	42.033826
"1223243"	452.061226	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+ACN+H"	42.033826
"1207127"	226.534251	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+ACN+2H"	43.041102
"201092"	865.02596	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2Na-H"	44.97116
"642474"	1275.05336	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2Na-H"	44.97116
"1138686"	454.99856	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2Na-H"	44.97116
"178695"	433.016618	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2Na"	45.978436
"622636"	638.030318	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2Na"	45.978436
"1122860"	228.002918	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2Na"	45.978436
"1409664"	152.337704	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+2Na"	46.985712
"1442873"	457.040146	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+HCOOH"	47.012746
"230384"	438.04964	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+3H2O+2H"	56.04448
"1514073"	471.09219	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+IsoProp+H"	61.06479
"414852"	441.003588	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+Na+K"	61.952376
"773662"	646.017288	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+Na+K"	61.952376
"1673267"	235.989888	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na+K"	61.952376
"259787"	884.070568	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+ACN+Na"	64.015768
"1231410"	474.043168	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+ACN+Na"	64.015768
"1715920"	474.066693	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+NH4+HCOOH"	64.039293
"1181275"	159.665018	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+3Na"	68.967654
"1655540"	479.022088	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na+HCOOH"	68.994688
"164589"	896.97384	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2K-H"	76.91904
"605250"	1307.00124	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2K-H"	76.91904
"1095235"	486.94644	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2K-H"	76.91904
"154238"	448.990558	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"2M+2K"	77.926316
"593798"	654.004258	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"3M+2K"	77.926316
"1080501"	243.976858	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2K"	77.926316
"1111523"	488.960992	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2K+H"	78.933592
"1349001"	489.048607	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+DMSO+H"	79.021207
"1019356"	493.087776	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2ACN+H"	83.060376
"1537849"	494.081408	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+IsoProp+Na+H"	84.054008
"1004174"	247.047526	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+2ACN+2H"	84.067652
"1599165"	494.996028	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K+HCOOH"	84.968628
"1425552"	525.027538	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+H+CF3COOH"	115.000138
"1160944"	267.560801	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+3ACN+2H"	125.094202
"1710854"	542.054085	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+NH4+CF3COOH"	132.026685
"1647966"	547.00948	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+Na+CF3COOH"	136.98208
"1585438"	562.98342	"C18014"	"38-Biflaviolin"	"C20H10O10"	"410.0274"	"M+K+CF3COOH"	152.95602
"812526"	314.1882	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M"	0
"979499"	295.16981	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-H2O-H"	-19.01839
"65554"	208.451524	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M-3H"	-3.021828
"503202"	313.180924	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M-3H"	-3.021828
"881941"	103.722124	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-3H"	-3.021828
"4771"	313.180924	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M-2H"	-2.014552
"445424"	470.275024	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M-2H"	-2.014552
"820310"	156.086824	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-2H"	-2.014552
"85406"	627.369124	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M-H"	-1.007276
"522413"	941.557324	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M-H"	-1.007276
"899485"	313.180924	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-H"	-1.007276
"53862"	644.395671	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M-2H+NH4"	16.019271
"494516"	958.583871	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M-2H+NH4"	16.019271
"871225"	330.207471	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-2H+NH4"	16.019271
"36576"	649.351066	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M-2H+Na"	20.974666
"480877"	963.539266	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M-2H+Na"	20.974666
"857583"	335.162866	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-2H+Na"	20.974666
"1624929"	335.162866	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Na-2H"	20.974666
"98177"	331.169263	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M-H+Cl"	33.962126
"534734"	488.263363	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M-H+Cl"	33.962126
"930156"	174.075163	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-H+Cl"	33.962126
"273086"	663.345802	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+Cl"	34.969402
"668789"	977.534002	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+Cl"	34.969402
"1285567"	349.157602	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Cl"	34.969402
"23749"	665.325006	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M-2H+K"	36.948606
"458939"	979.513206	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M-2H+K"	36.948606
"838928"	351.136806	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-2H+K"	36.948606
"1559135"	351.136806	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+K-2H"	36.948606
"945922"	359.186394	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-H+HCOOH"	44.998194
"364141"	673.374601	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+HCOOH-H"	44.998201
"348024"	687.390251	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+Hac-H"	59.013851
"1500137"	373.202051	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Hac-H"	59.013851
"959782"	381.168351	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-H+NaCOOH"	66.980151
"112577"	349.157602	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+2Cl"	69.938804
"550312"	506.251702	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+2Cl"	69.938804
"1022761"	192.063502	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2Cl"	69.938804
"1241976"	393.107085	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Br"	78.918885
"1310628"	395.163072	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Cl+HCOOH"	80.974872
"1322292"	417.145029	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Cl+NaCOOH"	102.956829
"917361"	427.173786	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M-H+CF3COOH"	112.985586
"1291882"	463.150464	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Cl+CF3COOH"	148.962264
"1373687"	279.175524	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H-2H2O"	-35.012676
"1386445"	297.1855	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H-H2O"	-17.0027
"283334"	629.383676	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+H"	1.007276
"676243"	943.571876	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+H"	1.007276
"1352230"	315.195476	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H"	1.007276
"128521"	315.195476	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+2H"	2.014552
"567351"	472.289576	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+2H"	2.014552
"1038337"	158.101376	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2H"	2.014552
"205875"	210.466076	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+3H"	3.021828
"648714"	315.195476	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+3H"	3.021828
"1164652"	105.736676	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+3H"	3.021828
"429749"	646.410223	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+NH4"	18.033823
"787467"	960.598423	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+NH4"	18.033823
"1682702"	332.222023	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+NH4"	18.033823
"332446"	323.7087495	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+H+NH4"	19.041099
"724502"	480.8028495	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+H+NH4"	19.041099
"1479051"	166.6146495	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H+NH4"	19.041099
"403569"	651.365618	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+Na"	22.989218
"762381"	965.553818	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+Na"	22.989218
"1613759"	337.177418	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Na"	22.989218
"322701"	326.186447	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+H+Na"	23.996494
"722587"	483.280547	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+H+Na"	23.996494
"1476959"	169.092347	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H+Na"	23.996494
"1068072"	113.06399	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2H+Na"	25.00377
"1270434"	347.221686	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+CH3OH+H"	33.033486
"392047"	667.339558	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+K"	38.963158
"753162"	981.527758	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+K"	38.963158
"1547680"	353.151358	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+K"	38.963158
"300845"	334.173417	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+H+K"	39.970434
"693265"	491.267517	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+H+K"	39.970434
"1448543"	177.079317	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H+K"	39.970434
"244072"	670.410226	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+ACN+H"	42.033826
"1223351"	356.222026	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+ACN+H"	42.033826
"1208695"	178.614651	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+ACN+2H"	43.041102
"202296"	673.34756	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+2Na-H"	44.97116
"642582"	987.53576	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+2Na-H"	44.97116
"1137703"	359.15936	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2Na-H"	44.97116
"178805"	337.177418	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+2Na"	45.978436
"622746"	494.271518	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+2Na"	45.978436
"1119690"	180.083318	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2Na"	45.978436
"1409774"	120.391304	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H+2Na"	46.985712
"1442983"	361.200946	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H+HCOOH"	47.012746
"229401"	342.21044	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+3H2O+2H"	56.04448
"1514183"	375.25299	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+IsoProp+H"	61.06479
"413869"	345.164388	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+Na+K"	61.952376
"775229"	502.258488	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+Na+K"	61.952376
"1671191"	188.070288	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Na+K"	61.952376
"258804"	692.392168	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+ACN+Na"	64.015768
"1230789"	378.203968	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+ACN+Na"	64.015768
"1719309"	378.227493	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+NH4+HCOOH"	64.039293
"1183569"	127.718618	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+3Na"	68.967654
"1654557"	383.182888	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Na+HCOOH"	68.994688
"162512"	705.29544	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+2K-H"	76.91904
"605360"	1019.48364	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+2K-H"	76.91904
"1094252"	391.10724	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2K-H"	76.91904
"154348"	353.151358	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"2M+2K"	77.926316
"594880"	510.245458	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"3M+2K"	77.926316
"1083528"	196.057258	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2K"	77.926316
"1114550"	393.121792	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2K+H"	78.933592
"1350450"	393.209407	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+DMSO+H"	79.021207
"1019954"	397.248576	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2ACN+H"	83.060376
"1537230"	398.242208	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+IsoProp+Na+H"	84.054008
"1003314"	199.127926	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+2ACN+2H"	84.067652
"1600005"	399.156828	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+K+HCOOH"	84.968628
"1427847"	429.188338	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+H+CF3COOH"	115.000138
"1161540"	219.641201	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+3ACN+2H"	125.094202
"1708777"	446.214885	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+NH4+CF3COOH"	132.026685
"1648440"	451.17028	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+Na+CF3COOH"	136.98208
"1585548"	467.14422	"C18015"	"Momilactone A"	"C20H26O3"	"314.1882"	"M+K+CF3COOH"	152.95602
"812636"	316.2038	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M"	0
"982889"	297.18541	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-H2O-H"	-19.01839
"68944"	209.795257333333	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M-3H"	-3.021828
"502820"	315.196524	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M-3H"	-3.021828
"881443"	104.393990666667	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-3H"	-3.021828
"3786"	315.196524	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M-2H"	-2.014552
"441158"	473.298424	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M-2H"	-2.014552
"817499"	157.094624	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-2H"	-2.014552
"80773"	631.400324	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M-H"	-1.007276
"520332"	947.604124	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M-H"	-1.007276
"896432"	315.196524	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-H"	-1.007276
"53972"	648.426871	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M-2H+NH4"	16.019271
"494626"	964.630671	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M-2H+NH4"	16.019271
"870242"	332.223071	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-2H+NH4"	16.019271
"35958"	653.382266	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M-2H+Na"	20.974666
"478799"	969.586066	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M-2H+Na"	20.974666
"857693"	337.178466	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-2H+Na"	20.974666
"1628319"	337.178466	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Na-2H"	20.974666
"100474"	333.184863	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M-H+Cl"	33.962126
"535047"	491.286763	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M-H+Cl"	33.962126
"930266"	175.082963	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-H+Cl"	33.962126
"272103"	667.377002	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+Cl"	34.969402
"665619"	983.580802	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+Cl"	34.969402
"1281304"	351.173202	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Cl"	34.969402
"22766"	669.356206	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M-2H+K"	36.948606
"456984"	985.560006	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M-2H+K"	36.948606
"835759"	353.152406	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-2H+K"	36.948606
"1560339"	353.152406	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+K-2H"	36.948606
"947126"	361.201994	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-H+HCOOH"	44.998194
"364251"	677.405801	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+HCOOH-H"	44.998201
"348133"	691.421451	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+Hac-H"	59.013851
"1498060"	375.217651	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Hac-H"	59.013851
"960137"	383.183951	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-H+NaCOOH"	66.980151
"110499"	351.173202	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+2Cl"	69.938804
"550790"	509.275102	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+2Cl"	69.938804
"1022506"	193.071302	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2Cl"	69.938804
"1241720"	395.122685	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Br"	78.918885
"1305269"	397.178672	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Cl+HCOOH"	80.974872
"1320579"	419.160629	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Cl+NaCOOH"	102.956829
"917471"	429.189386	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M-H+CF3COOH"	112.985586
"1294544"	465.166064	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Cl+CF3COOH"	148.962264
"1373797"	281.191124	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H-2H2O"	-35.012676
"1386191"	299.2011	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H-H2O"	-17.0027
"283202"	633.414876	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+H"	1.007276
"676600"	949.618676	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+H"	1.007276
"1353557"	317.211076	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H"	1.007276
"127538"	317.211076	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+2H"	2.014552
"566368"	475.312976	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+2H"	2.014552
"1038083"	159.109176	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2H"	2.014552
"205987"	211.809809333333	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+3H"	3.021828
"647002"	317.211076	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+3H"	3.021828
"1166949"	106.408542666667	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+3H"	3.021828
"428765"	650.441423	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+NH4"	18.033823
"786848"	966.645223	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+NH4"	18.033823
"1682812"	334.237623	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+NH4"	18.033823
"330612"	325.7243495	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+H+NH4"	19.041099
"723640"	483.8262495	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+H+NH4"	19.041099
"1478433"	167.6224495	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H+NH4"	19.041099
"401492"	655.396818	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+Na"	22.989218
"762491"	971.600618	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+Na"	22.989218
"1613869"	339.193018	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Na"	22.989218
"319529"	328.202047	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+H+Na"	23.996494
"722372"	486.303947	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+H+Na"	23.996494
"1474163"	170.100147	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H+Na"	23.996494
"1067653"	113.735856666667	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2H+Na"	25.00377
"1269451"	349.237286	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+CH3OH+H"	33.033486
"392157"	671.370758	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+K"	38.963158
"750113"	987.574558	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+K"	38.963158
"1549976"	355.166958	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+K"	38.963158
"300955"	336.189017	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+H+K"	39.970434
"695198"	494.290917	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+H+K"	39.970434
"1449744"	178.087117	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H+K"	39.970434
"244182"	674.441426	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+ACN+H"	42.033826
"1225326"	358.237626	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+ACN+H"	42.033826
"1209534"	179.622451	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+ACN+2H"	43.041102
"203137"	677.37876	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+2Na-H"	44.97116
"641599"	993.58256	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+2Na-H"	44.97116
"1136720"	361.17496	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2Na-H"	44.97116
"176728"	339.193018	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+2Na"	45.978436
"621762"	497.294918	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+2Na"	45.978436
"1119800"	181.091118	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2Na"	45.978436
"1408791"	121.063170666667	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H+2Na"	46.985712
"1439813"	363.216546	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H+HCOOH"	47.012746
"225137"	344.22604	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+3H2O+2H"	56.04448
"1514293"	377.26859	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+IsoProp+H"	61.06479
"416166"	347.179988	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+Na+K"	61.952376
"772787"	505.281888	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+Na+K"	61.952376
"1671301"	189.078088	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Na+K"	61.952376
"257821"	696.423368	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+ACN+Na"	64.015768
"1228348"	380.219568	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+ACN+Na"	64.015768
"1718326"	380.243093	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+NH4+HCOOH"	64.039293
"1183679"	128.390484666667	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+3Na"	68.967654
"1654667"	385.198488	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Na+HCOOH"	68.994688
"159338"	709.32664	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+2K-H"	76.91904
"602186"	1025.53044	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+2K-H"	76.91904
"1095455"	393.12284	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2K-H"	76.91904
"154458"	355.166958	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"2M+2K"	77.926316
"595598"	513.268858	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"3M+2K"	77.926316
"1083638"	197.065058	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2K"	77.926316
"1114906"	395.137392	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2K+H"	78.933592
"1350682"	395.225007	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+DMSO+H"	79.021207
"1020550"	399.264176	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2ACN+H"	83.060376
"1539404"	400.257808	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+IsoProp+Na+H"	84.054008
"1004998"	200.135726	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+2ACN+2H"	84.067652
"1601205"	401.172428	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+K+HCOOH"	84.968628
"1429416"	431.203938	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+H+CF3COOH"	115.000138
"1162618"	220.649001	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+3ACN+2H"	125.094202
"1708887"	448.230485	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+NH4+CF3COOH"	132.026685
"1649401"	453.18588	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+Na+CF3COOH"	136.98208
"1585658"	469.15982	"C18016"	"3beta-Hydroxy-9beta-pimara-715-diene-196beta-olide"	"C20H28O3"	"316.2038"	"M+K+CF3COOH"	152.95602
"812746"	154.1358	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M"	0
"982999"	135.11741	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"65774"	101.749924	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"503015"	153.128524	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"880946"	50.371324	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"3896"	153.128524	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"440904"	230.196424	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"817118"	76.060624	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"80519"	307.264324	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"520078"	461.400124	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"896419"	153.128524	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"52988"	324.290871	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"492549"	478.426671	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"869258"	170.155071	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"37163"	329.246266	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"482190"	483.382066	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"855618"	175.110466	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1624056"	175.110466	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"98397"	171.116863	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"534547"	248.184763	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"929283"	94.048963	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"270026"	343.241002	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"665729"	497.376802	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1279227"	189.105202	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"22876"	345.220206	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"457336"	499.356006	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"834775"	191.084406	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1559355"	191.084406	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"945049"	199.133994	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"363267"	353.269801	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"347149"	367.285451	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1494159"	213.149651	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"958607"	221.115951	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"110014"	189.105202	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"550040"	266.173102	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1022613"	112.037302	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1242921"	233.054685	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1305735"	235.110672	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1321045"	257.092629	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"913563"	267.121386	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1291737"	303.098064	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1368071"	119.123124	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1382933"	137.1331	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"283300"	309.278876	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"676463"	463.414676	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1351553"	155.143076	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"126919"	155.143076	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"566065"	232.210976	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1037826"	78.075176	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"205487"	103.764476	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"645652"	155.143076	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1164141"	52.385876	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"426324"	326.305423	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"786836"	480.441223	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1683163"	172.169623	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"330722"	163.6563495	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"726909"	240.7242495	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1480727"	86.5884495	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"399415"	331.260818	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"758588"	485.396618	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1609603"	177.125018	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"318545"	166.134047	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"721673"	243.201947	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1476096"	89.066147	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1066545"	59.71319	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1270533"	187.169286	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"390321"	347.234758	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"750222"	501.370558	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1547899"	193.098958	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"303251"	174.121017	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"696401"	251.188917	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1449854"	97.053117	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"238458"	350.305426	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1222478"	196.169626	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1205267"	98.588451	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"198139"	353.24276	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"635512"	507.37856	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1133915"	199.10696	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"177933"	177.125018	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"620779"	254.192918	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1119910"	100.057118	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1409630"	67.040504	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1437735"	201.148546	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"220872"	182.15804	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1513309"	215.20059	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"412996"	185.111988	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"775083"	262.179888	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1671411"	108.044088	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"257931"	372.287368	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1228088"	218.151568	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1714060"	218.175093	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1180509"	74.367818	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1653681"	223.130488	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"159448"	385.19064	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"602660"	539.32644	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1097748"	231.05484	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"154567"	193.098958	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"593035"	270.166858	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1083748"	116.031058	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1115379"	233.069392	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1350304"	233.157007	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1020980"	237.196176	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1539622"	238.189808	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"1005556"	119.101726	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1602044"	239.104428	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1429159"	269.135938	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1162570"	139.615001	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1708997"	286.162485	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1644649"	291.11788	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1585768"	307.09182	"C18017"	"8-p-Menthen-2-ol;16-Dihydrocarveol;6-Methyl-3-isopropenylcyclohexanol;Menth-8-en-2-ol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"812856"	152.1201	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M"	0
"983109"	133.10171	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"69164"	100.406124	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"503737"	151.112824	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"880482"	49.699424	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"968"	151.112824	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"445754"	227.172874	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"817838"	75.052774	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"84641"	303.232924	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"520550"	455.353024	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"897984"	151.112824	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"49808"	320.259471	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"491198"	472.379571	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"870461"	168.139371	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"39459"	325.214866	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"482301"	477.334966	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"857914"	173.094766	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1620886"	173.094766	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"98508"	169.101163	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"538066"	245.161213	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"931580"	93.041113	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"270138"	339.209602	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"668027"	491.329702	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1277151"	187.089502	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"19707"	341.188806	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"456353"	493.308906	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"834034"	189.068706	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1556913"	189.068706	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"947353"	197.118294	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"363015"	349.238401	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"346287"	363.254051	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1493905"	211.133951	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"962181"	219.100251	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"110110"	187.089502	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"550643"	263.149552	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1021628"	111.029452	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1243031"	231.038985	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1305480"	233.094972	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1320306"	255.076929	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"911852"	265.105686	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1292577"	301.082364	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1370009"	117.107424	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1386411"	135.1174	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"285251"	305.247476	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"676214"	457.367576	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1353409"	153.127376	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H"	1.007276
"126424"	153.127376	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"567078"	229.187426	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1038552"	77.067326	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"206569"	102.420676	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"644423"	153.127376	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1166075"	51.713976	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"426796"	322.274023	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"791084"	474.394123	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1684494"	170.153923	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"333508"	161.6406495	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"725929"	237.7006995	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1483030"	85.5805995	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"400618"	327.229418	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"763803"	479.349518	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1612997"	175.109318	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"323033"	164.118347	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"713265"	240.178397	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1475355"	88.058297	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1067994"	59.04129	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1270764"	185.153586	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"390431"	343.203358	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"748146"	495.323458	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1548011"	191.083258	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+K"	38.963158
"308466"	172.105317	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"700522"	248.165367	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1455798"	96.045267	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"245131"	346.274026	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1219308"	194.153926	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1199911"	97.580601	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"201170"	349.21136	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"641093"	501.33146	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1143141"	197.09126	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"182419"	175.109318	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"623077"	251.169368	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1122207"	99.049268	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1405731"	66.368604	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1442222"	199.132846	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"222442"	180.14234	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1509894"	213.18489	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"409825"	183.096288	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"774099"	259.156338	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1669337"	107.036238	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"255125"	368.255968	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1228566"	216.135868	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1715262"	216.159393	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1181711"	73.695918	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1655252"	221.114788	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"162114"	381.15924	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"604954"	533.27934	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1088011"	229.03914	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"154557"	191.083258	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"593996"	267.143308	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1083253"	115.023208	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1113186"	231.053692	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1349932"	231.141307	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1018951"	235.180476	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1535741"	236.174108	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"999267"	118.093876	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1598142"	237.088728	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1427081"	267.120238	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1160287"	138.607151	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1710930"	284.146785	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1634916"	289.10218	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1585878"	305.07612	"C18018"	"p-Menth-8-en-2-one;2-Methyl-5-(1-methylethenyl)cyclohexanone;Menth-8-en-2-one"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"812967"	168.115	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M"	0
"985772"	149.09661	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"69273"	111.069390666667	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"509929"	167.107724	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"885543"	55.0310573333333	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"4118"	167.107724	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"441975"	251.165224	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"824760"	83.050224	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"84751"	335.222724	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"519329"	503.337724	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"896885"	167.107724	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"52115"	352.249271	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"501275"	520.364271	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"874946"	184.134271	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"45037"	357.204666	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"485692"	525.319666	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"858024"	189.089666	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1622090"	189.089666	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"97525"	185.096063	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"537085"	269.153563	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"930599"	101.038563	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"271341"	371.199402	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"664857"	539.314402	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1279447"	203.084402	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"20910"	373.178606	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"457315"	541.293606	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"834265"	205.063606	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1557146"	205.063606	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"946369"	213.113194	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"364584"	381.228201	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"346277"	395.243851	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1493003"	227.128851	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"960470"	235.095151	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"110009"	203.084402	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"550024"	287.141902	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1022347"	119.026902	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1242412"	247.033885	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1307412"	249.089872	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1323815"	271.071829	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"915239"	281.100586	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1291584"	317.077264	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1368293"	133.102324	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1382836"	151.1123	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"283132"	337.237276	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"677173"	505.352276	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1351939"	169.122276	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H"	1.007276
"126291"	169.122276	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"566823"	253.179776	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1039879"	85.064776	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"205949"	113.083942666667	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"644528"	169.122276	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1162807"	57.0456093333333	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"424364"	354.263823	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"789008"	522.378823	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1684603"	186.148823	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"333618"	177.6355495	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"723362"	261.6930495	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1482047"	93.5780495	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"399635"	359.219218	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"759536"	527.334218	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1609822"	191.104218	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"324233"	180.113247	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"714468"	264.170747	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1476896"	96.055747	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1068437"	64.3729233333333	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1272668"	201.148486	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"392530"	375.193158	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"750444"	543.308158	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1544841"	207.078158	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K"	38.963158
"304203"	188.100217	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"694802"	272.157717	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1450077"	104.042717	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"242690"	378.263826	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1222698"	210.148826	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1203301"	105.578051	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"202008"	381.20116	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"642904"	549.31616	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1145075"	213.08616	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"182529"	191.104218	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"619180"	275.161718	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1125602"	107.046718	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1409853"	71.7002373333333	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1437959"	215.127746	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"222552"	196.13724	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1511343"	229.17979	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"409203"	199.091188	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"771050"	283.148688	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1666326"	115.033688	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"253052"	400.245768	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1226856"	232.130768	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1715013"	232.154293	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1180001"	79.0275513333333	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1654994"	237.109688	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"159672"	413.14904	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"601426"	581.26404	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1098578"	245.03404	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"156943"	207.078158	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"596050"	291.135658	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1081783"	123.020658	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1112807"	247.048592	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1347371"	247.136207	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1017722"	251.175376	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1535850"	252.169008	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1002659"	126.091326	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1600078"	253.083628	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1428651"	283.115138	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1162102"	146.604601	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1712134"	300.141685	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1644869"	305.09708	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1585988"	321.07102	"C18019"	"1-Hydroxy-p-menth-8-en-2-one;2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone;1-Hydroxymenth-8-en-2-one"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"809796"	170.1307	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M"	0
"980049"	151.11231	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"66104"	112.413190666667	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"510039"	169.123424	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"884560"	55.7029573333333	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"5321"	169.123424	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"441964"	254.188774	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"824870"	84.058074	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"84861"	339.254124	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"519682"	509.384824	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"896389"	169.123424	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"52224"	356.280671	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"499441"	526.411371	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"875056"	186.149971	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"39680"	361.236066	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"484708"	531.366766	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"858134"	191.105366	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1622200"	191.105366	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"96542"	187.111763	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"537195"	272.177113	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"930709"	102.046413	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"270358"	375.230802	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"664967"	545.361502	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1279557"	205.100102	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"17739"	377.210006	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"457060"	547.340706	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"833403"	207.079306	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1557500"	207.079306	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"945386"	215.128894	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"362262"	385.259601	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"345894"	399.275251	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1493398"	229.144551	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"960944"	237.110851	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"110329"	205.100102	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"550133"	290.165452	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1021808"	120.034752	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1243251"	249.049585	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1306430"	251.105572	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1322831"	273.087529	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"916076"	283.116286	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1292056"	319.092964	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1369853"	135.118024	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1383014"	153.128	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"283648"	341.268676	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"676310"	511.399376	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1352172"	171.137976	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"125929"	171.137976	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"566326"	256.203326	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1038166"	86.072626	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"205573"	114.427742666667	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"644645"	171.137976	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1164472"	57.7175093333333	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"424702"	358.295223	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"788024"	528.425923	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1682526"	188.164523	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"332635"	179.6512495	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"723231"	264.7165995	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1478145"	94.5858995	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"398652"	363.250618	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"758553"	533.381318	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1609932"	193.119918	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"322157"	182.128947	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"714578"	267.194297	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1476557"	97.063597	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1068060"	65.0448233333333	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1272532"	203.164186	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"392645"	379.224558	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"751283"	549.355258	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1546044"	209.093858	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"306499"	190.115917	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"698920"	275.181267	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1450916"	105.050567	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"242436"	382.295226	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1221712"	212.164526	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1206691"	106.585901	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"201756"	385.23256	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"642404"	555.36326	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1144820"	215.10186	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"182639"	193.119918	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"622570"	278.185268	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1120243"	108.054568	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1407045"	72.3721373333333	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1439162"	217.143446	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"221688"	198.15294	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1511817"	231.19549	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"409434"	201.106888	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"771040"	286.172238	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1666515"	116.041538	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"252310"	404.277168	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1226720"	234.146468	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1715123"	234.169993	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1180110"	79.6994513333333	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1652553"	239.125388	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"158688"	417.18044	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"601536"	587.31114	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1098808"	247.04974	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"156809"	209.093858	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"594458"	294.159208	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1080070"	124.028508	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1114736"	249.064292	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1348208"	249.151907	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1020013"	253.191076	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1536321"	254.184708	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"1003862"	127.099176	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1600552"	255.099328	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1429125"	285.130838	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1162334"	147.612451	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1712366"	302.157385	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1644979"	307.11278	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1586098"	323.08672	"C18020"	"p-Menth-8-ene-12-diol;1-Methyl-4-(1-methylethenyl)-12-cyclohexanediol;Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"806626"	592.2686	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M"	0
"980159"	573.25021	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-H2O-H"	-19.01839
"66214"	393.838457333333	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M-3H"	-3.021828
"505775"	591.261324	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M-3H"	-3.021828
"880120"	196.415590666667	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-3H"	-3.021828
"155"	591.261324	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M-2H"	-2.014552
"441102"	887.395624	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M-2H"	-2.014552
"821699"	295.127024	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-2H"	-2.014552
"83878"	1183.529924	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M-H"	-1.007276
"519913"	1775.798524	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M-H"	-1.007276
"897227"	591.261324	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-H"	-1.007276
"50510"	1200.556471	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M-2H+NH4"	16.019271
"490069"	1792.825071	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M-2H+NH4"	16.019271
"868605"	608.287871	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-2H+NH4"	16.019271
"39789"	1205.511866	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M-2H+Na"	20.974666
"483360"	1797.780466	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M-2H+Na"	20.974666
"861524"	613.243266	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-2H+Na"	20.974666
"1625590"	613.243266	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Na-2H"	20.974666
"98839"	609.249663	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M-H+Cl"	33.962126
"536577"	905.383963	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M-H+Cl"	33.962126
"929727"	313.115363	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-H+Cl"	33.962126
"273751"	1219.506602	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+Cl"	34.969402
"666171"	1811.775202	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+Cl"	34.969402
"1279667"	627.238002	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Cl"	34.969402
"16756"	1221.485806	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M-2H+K"	36.948606
"458509"	1813.754406	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M-2H+K"	36.948606
"836309"	629.217206	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-2H+K"	36.948606
"1557245"	629.217206	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+K-2H"	36.948606
"945496"	637.266794	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-H+HCOOH"	44.998194
"362980"	1229.535401	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+HCOOH-H"	44.998201
"346497"	1243.551051	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+Hac-H"	59.013851
"1495331"	651.282451	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Hac-H"	59.013851
"961783"	659.248751	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-H+NaCOOH"	66.980151
"110683"	627.238002	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+2Cl"	69.938804
"550977"	923.372302	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+2Cl"	69.938804
"1021959"	331.103702	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2Cl"	69.938804
"1242633"	671.187485	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Br"	78.918885
"1306540"	673.243472	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Cl+HCOOH"	80.974872
"1322942"	695.225429	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Cl+NaCOOH"	102.956829
"916186"	705.254186	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M-H+CF3COOH"	112.985586
"1291801"	741.230864	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Cl+CF3COOH"	148.962264
"1368870"	557.255924	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H-2H2O"	-35.012676
"1383132"	575.2659	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H-H2O"	-17.0027
"284245"	1185.544476	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+H"	1.007276
"677028"	1777.813076	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+H"	1.007276
"1352283"	593.275876	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H"	1.007276
"126634"	593.275876	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+2H"	2.014552
"566679"	889.410176	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+2H"	2.014552
"1037912"	297.141576	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2H"	2.014552
"206047"	395.853009333333	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+3H"	3.021828
"645848"	593.275876	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+3H"	3.021828
"1164947"	198.430142666667	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+3H"	3.021828
"425303"	1202.571023	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+NH4"	18.033823
"786312"	1794.839623	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+NH4"	18.033823
"1681745"	610.302423	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+NH4"	18.033823
"331652"	601.7891495	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+H+NH4"	19.041099
"724071"	897.9234495	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+H+NH4"	19.041099
"1477646"	305.6548495	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H+NH4"	19.041099
"397669"	1207.526418	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+Na"	22.989218
"754411"	1799.795018	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+Na"	22.989218
"1608949"	615.257818	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Na"	22.989218
"325547"	604.266847	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+H+Na"	23.996494
"714688"	900.401147	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+H+Na"	23.996494
"1476748"	308.132547	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H+Na"	23.996494
"1067602"	205.757456666667	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2H+Na"	25.00377
"1272672"	625.302086	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+CH3OH+H"	33.033486
"392222"	1223.500358	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+K"	38.963158
"750300"	1815.768958	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+K"	38.963158
"1547976"	631.231758	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+K"	38.963158
"305515"	612.253817	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+H+K"	39.970434
"696842"	908.388117	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+H+K"	39.970434
"1452851"	316.119517	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H+K"	39.970434
"242546"	1226.571026	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+ACN+H"	42.033826
"1221822"	634.302426	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+ACN+H"	42.033826
"1203521"	317.654851	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+ACN+2H"	43.041102
"201501"	1229.50836	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+2Na-H"	44.97116
"641058"	1821.77696	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+2Na-H"	44.97116
"1143837"	637.23976	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2Na-H"	44.97116
"182749"	615.257818	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+2Na"	45.978436
"620493"	911.392118	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+2Na"	45.978436
"1119624"	319.123518	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2Na"	45.978436
"1407155"	213.084770666667	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H+2Na"	46.985712
"1435992"	639.281346	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H+HCOOH"	47.012746
"222772"	620.29084	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+3H2O+2H"	56.04448
"1509618"	653.33339	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+IsoProp+H"	61.06479
"409062"	623.244788	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+Na+K"	61.952376
"771880"	919.379088	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+Na+K"	61.952376
"1667480"	327.110488	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Na+K"	61.952376
"251812"	1248.552968	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+ACN+Na"	64.015768
"1227557"	656.284368	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+ACN+Na"	64.015768
"1713769"	656.307893	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+NH4+HCOOH"	64.039293
"1179856"	220.412084666667	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+3Na"	68.967654
"1653029"	661.263288	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Na+HCOOH"	68.994688
"159891"	1261.45624	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+2K-H"	76.91904
"601646"	1853.72484	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+2K-H"	76.91904
"1098188"	669.18764	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2K-H"	76.91904
"156832"	631.231758	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"2M+2K"	77.926316
"595420"	927.366058	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"3M+2K"	77.926316
"1082368"	335.097458	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2K"	77.926316
"1114238"	671.202192	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2K+H"	78.933592
"1350864"	671.289807	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+DMSO+H"	79.021207
"1018300"	675.328976	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2ACN+H"	83.060376
"1535338"	676.322608	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+IsoProp+Na+H"	84.054008
"1003608"	338.168126	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+2ACN+2H"	84.067652
"1600662"	677.237228	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+K+HCOOH"	84.968628
"1429235"	707.268738	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+H+CF3COOH"	115.000138
"1162445"	358.681401	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+3ACN+2H"	125.094202
"1712354"	724.295285	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+NH4+CF3COOH"	132.026685
"1645089"	729.25068	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+Na+CF3COOH"	136.98208
"1586208"	745.22462	"C18021"	"Pheophorbide a"	"C35H36N4O5"	"592.2686"	"M+K+CF3COOH"	152.95602
"813296"	626.2741	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M"	0
"983548"	607.25571	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-H2O-H"	-19.01839
"69604"	416.508790666667	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M-3H"	-3.021828
"505885"	625.266824	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M-3H"	-3.021828
"883687"	207.750757333333	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-3H"	-3.021828
"5541"	625.266824	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M-2H"	-2.014552
"446194"	938.403874	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M-2H"	-2.014552
"818528"	312.129774	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-2H"	-2.014552
"80707"	1251.540924	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M-H"	-1.007276
"520144"	1877.815024	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M-H"	-1.007276
"898432"	625.266824	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-H"	-1.007276
"56821"	1268.567471	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M-2H+NH4"	16.019271
"497476"	1894.841571	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M-2H+NH4"	16.019271
"874916"	642.293371	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-2H+NH4"	16.019271
"41724"	1273.522866	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M-2H+Na"	20.974666
"483469"	1899.796966	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M-2H+Na"	20.974666
"858354"	647.248766	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-2H+Na"	20.974666
"1623514"	647.248766	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Na-2H"	20.974666
"98949"	643.255163	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M-H+Cl"	33.962126
"542884"	956.392213	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M-H+Cl"	33.962126
"936399"	330.118113	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-H+Cl"	33.962126
"270582"	1287.517602	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+Cl"	34.969402
"664095"	1913.791702	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+Cl"	34.969402
"1278686"	661.243502	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Cl"	34.969402
"16869"	1289.496806	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M-2H+K"	36.948606
"457525"	1915.770906	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M-2H+K"	36.948606
"838608"	663.222706	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-2H+K"	36.948606
"1556750"	663.222706	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+K-2H"	36.948606
"943295"	671.272294	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-H+HCOOH"	44.998194
"362726"	1297.546401	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+HCOOH-H"	44.998201
"345859"	1311.562051	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+Hac-H"	59.013851
"1496542"	685.287951	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Hac-H"	59.013851
"961163"	693.254251	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-H+NaCOOH"	66.980151
"111163"	661.243502	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+2Cl"	69.938804
"550360"	974.380552	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+2Cl"	69.938804
"1021389"	348.106452	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2Cl"	69.938804
"1241651"	705.192985	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Br"	78.918885
"1304343"	707.248972	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Cl+HCOOH"	80.974872
"1320377"	729.230929	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Cl+NaCOOH"	102.956829
"913019"	739.259686	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M-H+CF3COOH"	112.985586
"1289481"	775.236364	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Cl+CF3COOH"	148.962264
"1367892"	591.261424	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H-2H2O"	-35.012676
"1389775"	609.2714	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H-H2O"	-17.0027
"283989"	1253.555476	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+H"	1.007276
"675882"	1879.829576	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+H"	1.007276
"1358235"	627.281376	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H"	1.007276
"130030"	627.281376	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+2H"	2.014552
"566794"	940.418426	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+2H"	2.014552
"1039480"	314.144326	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2H"	2.014552
"207379"	418.523342666667	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+3H"	3.021828
"646327"	627.281376	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+3H"	3.021828
"1165546"	209.765309333333	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+3H"	3.021828
"427251"	1270.582023	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+NH4"	18.033823
"786662"	1896.856123	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+NH4"	18.033823
"1684578"	644.307923	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+NH4"	18.033823
"332855"	635.7946495	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+H+NH4"	19.041099
"723695"	948.9316995	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+H+NH4"	19.041099
"1484567"	322.6575995	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H+NH4"	19.041099
"396685"	1275.537418	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+Na"	22.989218
"764242"	1901.811518	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+Na"	22.989218
"1607966"	649.263318	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Na"	22.989218
"326390"	638.272347	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+H+Na"	23.996494
"720274"	951.409397	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+H+Na"	23.996494
"1476899"	325.135297	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H+Na"	23.996494
"1068196"	217.092623333333	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2H+Na"	25.00377
"1271332"	659.307586	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+CH3OH+H"	33.033486
"392218"	1291.511358	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+K"	38.963158
"752600"	1917.785458	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+K"	38.963158
"1552827"	665.237258	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+K"	38.963158
"308544"	646.259317	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+H+K"	39.970434
"702059"	959.396367	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+H+K"	39.970434
"1456243"	333.122267	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H+K"	39.970434
"249592"	1294.582026	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+ACN+H"	42.033826
"1222667"	668.307926	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+ACN+H"	42.033826
"1205094"	334.657601	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+ACN+2H"	43.041102
"200518"	1297.51936	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+2Na-H"	44.97116
"638984"	1923.79346	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+2Na-H"	44.97116
"1143583"	671.24526	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2Na-H"	44.97116
"175575"	649.263318	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+2Na"	45.978436
"620238"	962.400368	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+2Na"	45.978436
"1119370"	336.126268	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2Na"	45.978436
"1407266"	224.419937333333	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H+2Na"	46.985712
"1430877"	673.286846	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H+HCOOH"	47.012746
"220282"	654.29634	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+3H2O+2H"	56.04448
"1508918"	687.33889	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+IsoProp+H"	61.06479
"408543"	657.250288	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+Na+K"	61.952376
"770025"	970.387338	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+Na+K"	61.952376
"1666004"	344.113238	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Na+K"	61.952376
"251422"	1316.563968	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+ACN+Na"	64.015768
"1225967"	690.289868	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+ACN+Na"	64.015768
"1715710"	690.313393	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+NH4+HCOOH"	64.039293
"1178995"	231.747251333333	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+3Na"	68.967654
"1654238"	695.268788	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Na+HCOOH"	68.994688
"161102"	1329.46724	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+2K-H"	76.91904
"606131"	1955.74134	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+2K-H"	76.91904
"1099477"	703.19314	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2K-H"	76.91904
"154024"	665.237258	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"2M+2K"	77.926316
"596143"	978.374308	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"3M+2K"	77.926316
"1082477"	352.100208	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2K"	77.926316
"1114592"	705.207692	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2K+H"	78.933592
"1349158"	705.295307	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+DMSO+H"	79.021207
"1015136"	709.334476	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2ACN+H"	83.060376
"1532167"	710.328108	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+IsoProp+Na+H"	84.054008
"997520"	355.170876	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+2ACN+2H"	84.067652
"1600772"	711.242728	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+K+HCOOH"	84.968628
"1429468"	741.274238	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+H+CF3COOH"	115.000138
"1162188"	375.684151	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+3ACN+2H"	125.094202
"1711371"	758.300785	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+NH4+CF3COOH"	132.026685
"1647384"	763.25618	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+Na+CF3COOH"	136.98208
"1586318"	779.23012	"C18022"	"Red chlorophyll catabolite"	"C35H38N4O7"	"626.2741"	"M+K+CF3COOH"	152.95602
"813406"	340.1311	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M"	0
"983658"	321.11271	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-H2O-H"	-19.01839
"69714"	225.746790666667	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M-3H"	-3.021828
"505995"	339.123824	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M-3H"	-3.021828
"885982"	112.369757333333	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-3H"	-3.021828
"4557"	339.123824	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M-2H"	-2.014552
"446304"	509.189374	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M-2H"	-2.014552
"821918"	169.058274	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-2H"	-2.014552
"81910"	679.254924	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M-H"	-1.007276
"521471"	1019.386024	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M-H"	-1.007276
"898294"	339.123824	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-H"	-1.007276
"50369"	696.281471	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M-2H+NH4"	16.019271
"499774"	1036.412571	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M-2H+NH4"	16.019271
"876484"	356.150371	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-2H+NH4"	16.019271
"43291"	701.236866	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M-2H+Na"	20.974666
"485039"	1041.367966	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M-2H+Na"	20.974666
"858464"	361.105766	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-2H+Na"	20.974666
"1625811"	361.105766	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Na-2H"	20.974666
"97965"	357.112163	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M-H+Cl"	33.962126
"539714"	527.177713	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M-H+Cl"	33.962126
"936509"	187.046613	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-H+Cl"	33.962126
"273972"	715.231602	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+Cl"	34.969402
"667487"	1055.362702	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+Cl"	34.969402
"1278796"	375.100502	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Cl"	34.969402
"21352"	717.210806	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M-2H+K"	36.948606
"458729"	1057.341906	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M-2H+K"	36.948606
"839811"	377.079706	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-2H+K"	36.948606
"1558926"	377.079706	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+K-2H"	36.948606
"943892"	385.129294	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-H+HCOOH"	44.998194
"362836"	725.260401	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+HCOOH-H"	44.998201
"347446"	739.276051	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+Hac-H"	59.013851
"1495923"	399.144951	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Hac-H"	59.013851
"962368"	407.111251	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-H+NaCOOH"	66.980151
"111515"	375.100502	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+2Cl"	69.938804
"551563"	545.166052	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+2Cl"	69.938804
"1022668"	205.034952	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2Cl"	69.938804
"1242126"	419.049985	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Br"	78.918885
"1304940"	421.105972	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Cl+HCOOH"	80.974872
"1320974"	443.087929	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Cl+NaCOOH"	102.956829
"912763"	453.116686	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M-H+CF3COOH"	112.985586
"1289226"	489.093364	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Cl+CF3COOH"	148.962264
"1367752"	305.118424	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H-2H2O"	-35.012676
"1384165"	323.1284	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H-H2O"	-17.0027
"285192"	681.269476	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+H"	1.007276
"677251"	1021.400576	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+H"	1.007276
"1359438"	341.138376	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H"	1.007276
"131233"	341.138376	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+2H"	2.014552
"567877"	511.203926	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+2H"	2.014552
"1040683"	171.072826	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2H"	2.014552
"207853"	227.761342666667	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+3H"	3.021828
"646318"	341.138376	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+3H"	3.021828
"1164076"	114.384309333333	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+3H"	3.021828
"426266"	698.296023	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+NH4"	18.033823
"789446"	1038.427123	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+NH4"	18.033823
"1683593"	358.164923	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+NH4"	18.033823
"330774"	349.6516495	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+H+NH4"	19.041099
"725385"	519.7171995	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+H+NH4"	19.041099
"1482490"	179.5860995	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H+NH4"	19.041099
"394608"	703.251418	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+Na"	22.989218
"762165"	1043.382518	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+Na"	22.989218
"1605889"	363.120318	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Na"	22.989218
"315925"	352.129347	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+H+Na"	23.996494
"708346"	522.194897	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+H+Na"	23.996494
"1473105"	182.063797	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H+Na"	23.996494
"1067578"	121.711623333333	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2H+Na"	25.00377
"1270712"	373.164586	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+CH3OH+H"	33.033486
"392085"	719.225358	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+K"	38.963158
"752347"	1059.356458	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+K"	38.963158
"1554397"	379.094258	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+K"	38.963158
"310111"	360.116317	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+H+K"	39.970434
"704355"	530.181867	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+H+K"	39.970434
"1460001"	190.050767	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H+K"	39.970434
"249343"	722.296026	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+ACN+H"	42.033826
"1223875"	382.164926	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+ACN+H"	42.033826
"1207029"	191.586101	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+ACN+2H"	43.041102
"202210"	725.23336	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+2Na-H"	44.97116
"642377"	1065.36446	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+2Na-H"	44.97116
"1144056"	385.10226	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2Na-H"	44.97116
"186745"	363.120318	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+2Na"	45.978436
"621442"	533.185868	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+2Na"	45.978436
"1122760"	193.054768	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2Na"	45.978436
"1411749"	129.038937333333	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H+2Na"	46.985712
"1433298"	387.143846	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H+HCOOH"	47.012746
"221534"	368.15334	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+3H2O+2H"	56.04448
"1511784"	401.19589	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+IsoProp+H"	61.06479
"409038"	371.107288	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+Na+K"	61.952376
"770359"	541.172838	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+Na+K"	61.952376
"1666122"	201.041738	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Na+K"	61.952376
"255315"	744.277968	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+ACN+Na"	64.015768
"1226931"	404.146868	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+ACN+Na"	64.015768
"1721287"	404.170393	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+NH4+HCOOH"	64.039293
"1182266"	136.366251333333	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+3Na"	68.967654
"1654348"	409.125788	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Na+HCOOH"	68.994688
"166678"	757.18124	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+2K-H"	76.91904
"606241"	1097.31234	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+2K-H"	76.91904
"1095128"	417.05014	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2K-H"	76.91904
"153040"	379.094258	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"2M+2K"	77.926316
"590422"	549.159808	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"3M+2K"	77.926316
"1080400"	209.028708	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2K"	77.926316
"1111418"	419.064692	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2K+H"	78.933592
"1348538"	419.152307	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+DMSO+H"	79.021207
"1014152"	423.191476	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2ACN+H"	83.060376
"1530090"	424.185108	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+IsoProp+Na+H"	84.054008
"999817"	212.099376	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+2ACN+2H"	84.067652
"1597601"	425.099728	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+K+HCOOH"	84.968628
"1429335"	455.131238	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+H+CF3COOH"	115.000138
"1162298"	232.612651	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+3ACN+2H"	125.094202
"1711481"	472.157785	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+NH4+CF3COOH"	132.026685
"1647494"	477.11318	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+Na+CF3COOH"	136.98208
"1586428"	493.08712	"C18023"	"Sophoraflavanone B;Flavaprenin;8-Prenylnaringenin"	"C20H20O5"	"340.1311"	"M+K+CF3COOH"	152.95602
"814610"	356.126	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M"	0
"988142"	337.10761	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-H2O-H"	-19.01839
"73104"	236.410057333333	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M-3H"	-3.021828
"505012"	355.118724	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M-3H"	-3.021828
"885000"	117.701390666667	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-3H"	-3.021828
"5761"	355.118724	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M-2H"	-2.014552
"446414"	533.181724	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M-2H"	-2.014552
"824215"	177.055724	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-2H"	-2.014552
"81291"	711.244724	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M-H"	-1.007276
"520122"	1067.370724	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M-H"	-1.007276
"897675"	355.118724	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-H"	-1.007276
"50479"	728.271271	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M-2H+NH4"	16.019271
"499883"	1084.397271	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M-2H+NH4"	16.019271
"875502"	372.145271	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-2H+NH4"	16.019271
"44133"	733.226666	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M-2H+Na"	20.974666
"484053"	1089.352666	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M-2H+Na"	20.974666
"858574"	377.100666	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-2H+Na"	20.974666
"1623733"	377.100666	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Na-2H"	20.974666
"96253"	373.107063	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M-H+Cl"	33.962126
"543104"	551.170063	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M-H+Cl"	33.962126
"933338"	195.044063	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-H+Cl"	33.962126
"274082"	747.221402	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+Cl"	34.969402
"667597"	1103.347402	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+Cl"	34.969402
"1283280"	391.095402	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Cl"	34.969402
"22556"	749.200606	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M-2H+K"	36.948606
"463212"	1105.326606	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M-2H+K"	36.948606
"838828"	393.074606	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-2H+K"	36.948606
"1559036"	393.074606	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+K-2H"	36.948606
"946918"	401.124194	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-H+HCOOH"	44.998194
"363308"	757.250201	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+HCOOH-H"	44.998201
"348650"	771.265851	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+Hac-H"	59.013851
"1497126"	415.139851	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Hac-H"	59.013851
"962113"	423.106151	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-H+NaCOOH"	66.980151
"112476"	391.095402	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+2Cl"	69.938804
"553131"	569.158402	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+2Cl"	69.938804
"1023023"	213.032402	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2Cl"	69.938804
"1242602"	435.044885	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Br"	78.918885
"1305172"	437.100872	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Cl+HCOOH"	80.974872
"1323274"	459.082829	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Cl+NaCOOH"	102.956829
"913241"	469.111586	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M-H+CF3COOH"	112.985586
"1289340"	505.088264	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Cl+CF3COOH"	148.962264
"1368229"	321.113324	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H-2H2O"	-35.012676
"1384147"	339.1233	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H-H2O"	-17.0027
"284210"	713.259276	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+H"	1.007276
"676631"	1069.385276	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+H"	1.007276
"1360641"	357.133276	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H"	1.007276
"132436"	357.133276	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+2H"	2.014552
"569080"	535.196276	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+2H"	2.014552
"1040793"	179.070276	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2H"	2.014552
"207600"	238.424609333333	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+3H"	3.021828
"646428"	357.133276	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+3H"	3.021828
"1164553"	119.715942666667	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+3H"	3.021828
"425769"	730.285823	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+NH4"	18.033823
"788463"	1086.411823	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+NH4"	18.033823
"1682610"	374.159823	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+NH4"	18.033823
"330885"	365.6465495	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+H+NH4"	19.041099
"725494"	543.7095495	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+H+NH4"	19.041099
"1479320"	187.5835495	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H+NH4"	19.041099
"393989"	735.241218	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+Na"	22.989218
"760089"	1091.367218	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+Na"	22.989218
"1606363"	379.115218	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Na"	22.989218
"317128"	368.124247	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+H+Na"	23.996494
"711737"	546.187247	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+H+Na"	23.996494
"1475402"	190.061247	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H+Na"	23.996494
"1064274"	127.043256666667	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2H+Na"	25.00377
"1261577"	389.159486	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+CH3OH+H"	33.033486
"390001"	751.215158	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+K"	38.963158
"752089"	1107.341158	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+K"	38.963158
"1550857"	395.089158	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+K"	38.963158
"310221"	376.111217	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+H+K"	39.970434
"703372"	554.174217	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+H+K"	39.970434
"1458649"	198.048217	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H+K"	39.970434
"248726"	754.285826	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+ACN+H"	42.033826
"1223619"	398.159826	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+ACN+H"	42.033826
"1204953"	199.583551	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+ACN+2H"	43.041102
"201832"	757.22316	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+2Na-H"	44.97116
"641393"	1113.34916	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+2Na-H"	44.97116
"1145259"	401.09716	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2Na-H"	44.97116
"184908"	379.115218	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+2Na"	45.978436
"625922"	557.178218	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+2Na"	45.978436
"1127243"	201.052218	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2Na"	45.978436
"1411495"	134.370570666667	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H+2Na"	46.985712
"1430613"	403.138746	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H+HCOOH"	47.012746
"221644"	384.14824	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+3H2O+2H"	56.04448
"1510072"	417.19079	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+IsoProp+H"	61.06479
"409393"	387.102188	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+Na+K"	61.952376
"770017"	565.165188	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+Na+K"	61.952376
"1665743"	209.039188	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Na+K"	61.952376
"251899"	776.267768	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+ACN+Na"	64.015768
"1227040"	420.141768	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+ACN+Na"	64.015768
"1714100"	420.165293	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+NH4+HCOOH"	64.039293
"1180915"	141.697884666667	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+3Na"	68.967654
"1651177"	425.120688	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Na+HCOOH"	68.994688
"159496"	789.17104	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+2K-H"	76.91904
"603070"	1145.29704	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+2K-H"	76.91904
"1096332"	433.04504	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2K-H"	76.91904
"155336"	395.089158	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"2M+2K"	77.926316
"593811"	573.152158	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"3M+2K"	77.926316
"1081604"	217.026158	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2K"	77.926316
"1107155"	435.059592	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2K+H"	78.933592
"1348647"	435.147207	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+DMSO+H"	79.021207
"1016084"	439.186376	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2ACN+H"	83.060376
"1530199"	440.180008	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+IsoProp+Na+H"	84.054008
"996647"	220.096826	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+2ACN+2H"	84.067652
"1599899"	441.094628	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+K+HCOOH"	84.968628
"1429202"	471.126138	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+H+CF3COOH"	115.000138
"1160221"	240.610101	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+3ACN+2H"	125.094202
"1709404"	488.152685	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+NH4+CF3COOH"	132.026685
"1647604"	493.10808	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+Na+CF3COOH"	136.98208
"1586538"	509.08202	"C18024"	"Leachianone G"	"C20H20O6"	"356.126"	"M+K+CF3COOH"	152.95602
"814720"	150.1045	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M"	0
"987158"	131.08611	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"73213"	99.0623906666667	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"507308"	149.097224	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"882923"	49.0275573333333	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"4777"	149.097224	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"447617"	224.149474	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"826512"	74.044974	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"80183"	299.201724	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"520353"	449.306224	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"896934"	149.097224	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"50953"	316.228271	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"495619"	466.332771	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"873423"	166.123771	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"36951"	321.183666	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"478696"	471.288166	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"856497"	171.079166	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1621656"	171.079166	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"96360"	167.085563	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"535558"	242.137813	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"928465"	92.033313	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"270180"	335.178402	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"664425"	485.282902	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1275736"	185.073902	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"18291"	337.157606	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"459312"	487.262106	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"836749"	187.053106	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1558414"	187.053106	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"945932"	195.102694	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"361425"	345.207201	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"346574"	359.222851	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1495773"	209.118351	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"963316"	217.084651	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"112586"	185.073902	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"552510"	260.126152	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1023861"	110.021652	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1243805"	229.023385	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1305887"	231.079372	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1320467"	253.061329	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"911889"	263.090086	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1288591"	299.066764	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1367859"	115.091824	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1383410"	133.1018	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"286502"	301.216276	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"677830"	451.320776	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1354184"	151.111776	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H"	1.007276
"126460"	151.111776	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"567480"	226.164026	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1037736"	76.059526	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"206368"	101.076942666667	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"647263"	151.111776	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1167580"	51.0421093333333	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"425751"	318.242823	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"790760"	468.347323	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1681984"	168.138323	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"330994"	159.6250495	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"726331"	234.6772995	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1479065"	84.5727995	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"393202"	323.198218	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"760199"	473.302718	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1607202"	173.093718	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"317238"	162.102747	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"711847"	237.154997	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1471139"	87.050497	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1061102"	58.3694233333333	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1260957"	183.137986	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"390109"	339.172158	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"750013"	489.276658	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1548781"	189.067658	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+K"	38.963158
"310331"	170.089717	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"697285"	245.141967	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1455480"	95.037467	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"250291"	342.242826	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1224089"	192.138326	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1207615"	96.572801	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"202674"	345.18016	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"641870"	495.28466	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1143546"	195.07566	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"185382"	173.093718	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"624939"	248.145968	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1127353"	98.041468	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1411605"	65.6967373333333	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1433517"	197.117246	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"221023"	178.12674	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1511640"	211.16929	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"410597"	181.080688	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"771103"	256.132938	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1667067"	106.028438	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"253829"	364.224768	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1228604"	214.120268	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1714938"	214.143793	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1181386"	73.0240513333333	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1652015"	219.099188	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"161428"	377.12804	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"603176"	527.23254	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1088784"	227.02354	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"152165"	189.067658	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"593191"	264.119908	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1082078"	114.015408	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1110545"	229.038092	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1348028"	229.125707	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1014371"	233.164876	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1531404"	234.158508	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"994570"	117.086076	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1597821"	235.073128	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1429676"	265.104638	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1161423"	137.599351	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1709514"	282.131185	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1648443"	287.08658	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1586648"	303.06052	"C18025"	"()-Menthofuran;(R)-Menthofuran"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"815923"	881.1469	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M"	0
"989788"	862.12851	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H2O-H"	-19.01839
"75510"	586.423990666667	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-3H"	-3.021828
"510698"	880.139624	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-3H"	-3.021828
"887406"	292.708357333333	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-3H"	-3.021828
"8169"	880.139624	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H"	-2.014552
"448821"	1320.713074	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H"	-2.014552
"828809"	439.566174	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H"	-2.014552
"81147"	1761.286524	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-H"	-1.007276
"518803"	2642.433424	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-H"	-1.007276
"897046"	880.139624	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H"	-1.007276
"47334"	1778.313071	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+NH4"	16.019271
"495729"	2659.459971	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+NH4"	16.019271
"873534"	897.166171	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H+NH4"	16.019271
"39247"	1783.268466	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+Na"	20.974666
"484273"	2664.415366	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+Na"	20.974666
"858794"	902.121566	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H+Na"	20.974666
"1629420"	902.121566	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na-2H"	20.974666
"96108"	898.127963	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-H+Cl"	33.962126
"537856"	1338.701413	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-H+Cl"	33.962126
"931370"	457.554513	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+Cl"	33.962126
"274300"	1797.263202	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Cl"	34.969402
"667818"	2678.410102	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+Cl"	34.969402
"1279126"	916.116302	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl"	34.969402
"22777"	1799.242406	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+K"	36.948606
"463432"	2680.389306	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+K"	36.948606
"840141"	918.095506	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H+K"	36.948606
"1561444"	918.095506	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K-2H"	36.948606
"946047"	926.145094	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+HCOOH"	44.998194
"363529"	1807.292001	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+HCOOH-H"	44.998201
"348509"	1821.307651	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Hac-H"	59.013851
"1493815"	940.160751	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Hac-H"	59.013851
"960143"	948.127051	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+NaCOOH"	66.980151
"110994"	916.116302	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2Cl"	69.938804
"552256"	1356.689752	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2Cl"	69.938804
"1022513"	475.542852	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2Cl"	69.938804
"1241606"	960.065785	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Br"	78.918885
"1304420"	962.121772	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+HCOOH"	80.974872
"1320092"	984.103729	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+NaCOOH"	102.956829
"911513"	994.132486	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+CF3COOH"	112.985586
"1288707"	1030.109164	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+CF3COOH"	148.962264
"1367356"	846.134224	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H-2H2O"	-35.012676
"1383196"	864.1442	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H-H2O"	-17.0027
"286248"	1763.301076	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H"	1.007276
"681223"	2644.447976	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H"	1.007276
"1351494"	882.154176	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H"	1.007276
"128277"	882.154176	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2H"	2.014552
"568932"	1322.727626	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2H"	2.014552
"1042105"	441.580726	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2H"	2.014552
"204774"	588.438542666667	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+3H"	3.021828
"646647"	882.154176	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+3H"	3.021828
"1165504"	294.722909333333	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+3H"	3.021828
"428779"	1780.327623	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+NH4"	18.033823
"789779"	2661.474523	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+NH4"	18.033823
"1682827"	899.180723	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+NH4"	18.033823
"330254"	890.6674495	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H+NH4"	19.041099
"724620"	1331.2408995	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H+NH4"	19.041099
"1481727"	450.0939995	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+NH4"	19.041099
"394940"	1785.283018	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Na"	22.989218
"764683"	2666.429918	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+Na"	22.989218
"1609500"	904.136118	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na"	22.989218
"318442"	893.145147	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H+Na"	23.996494
"711957"	1333.718597	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H+Na"	23.996494
"1472342"	452.571697	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+Na"	23.996494
"1061214"	302.050223333333	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2H+Na"	25.00377
"1260703"	914.180386	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+CH3OH+H"	33.033486
"389124"	1801.256958	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+K"	38.963158
"750120"	2682.403858	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+K"	38.963158
"1552171"	920.110058	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K"	38.963158
"310441"	901.132117	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H+K"	39.970434
"700675"	1341.705567	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H+K"	39.970434
"1451214"	460.558667	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+K"	39.970434
"250037"	1804.327626	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+H"	42.033826
"1223962"	923.180726	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+H"	42.033826
"1208089"	462.094001	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+2H"	43.041102
"202420"	1807.26496	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na-H"	44.97116
"642709"	2688.41186	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na-H"	44.97116
"1145479"	926.11806	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2Na-H"	44.97116
"186585"	904.136118	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na"	45.978436
"626871"	1344.709568	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na"	45.978436
"1128555"	463.562668	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2Na"	45.978436
"1409892"	309.377537333333	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+2Na"	46.985712
"1434358"	928.159646	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+HCOOH"	47.012746
"225144"	909.16914	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+3H2O+2H"	56.04448
"1514302"	942.21169	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+H"	61.06479
"411801"	912.123088	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Na+K"	61.952376
"771092"	1352.696538	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+Na+K"	61.952376
"1667300"	471.549638	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na+K"	61.952376
"255646"	1826.309568	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+Na"	64.015768
"1229450"	945.162668	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+Na"	64.015768
"1716144"	945.186193	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+HCOOH"	64.039293
"1181132"	316.704851333333	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+3Na"	68.967654
"1654677"	950.141588	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na+HCOOH"	68.994688
"162631"	1839.21284	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2K-H"	76.91904
"604379"	2720.35974	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2K-H"	76.91904
"1089986"	958.06594	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2K-H"	76.91904
"152274"	920.110058	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2K"	77.926316
"593302"	1360.683508	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2K"	77.926316
"1081095"	479.536608	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2K"	77.926316
"1109561"	960.080492	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2K+H"	78.933592
"1348016"	960.168107	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+DMSO+H"	79.021207
"1016305"	964.207276	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+H"	83.060376
"1535888"	965.200908	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+Na+H"	84.054008
"994680"	482.607276	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+2H"	84.067652
"1597931"	966.115528	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K+HCOOH"	84.968628
"1429750"	996.147038	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+CF3COOH"	115.000138
"1161898"	503.120551	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+3ACN+2H"	125.094202
"1709624"	1013.173585	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+CF3COOH"	132.026685
"1647460"	1018.12898	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na+CF3COOH"	136.98208
"1586758"	1034.10292	"C18026"	"(2S)-Ethylmalonyl-CoA;(S)-Ethylmalonyl-CoA;Ethylmalonyl-CoA;Ethylmalonyl coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K+CF3COOH"	152.95602
"813847"	170.1307	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M"	0
"987988"	151.11231	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"72340"	112.413190666667	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"509715"	169.123424	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"889704"	55.7029573333333	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"9373"	169.123424	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"451118"	254.188774	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"826732"	84.058074	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"84537"	339.254124	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"518994"	509.384824	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"898247"	169.123424	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"49099"	356.280671	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"494746"	526.411371	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"870362"	186.149971	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"37171"	361.236066	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"477823"	531.366766	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"855623"	191.105366	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1620415"	191.105366	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"95849"	187.111763	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"537234"	272.177113	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"930384"	102.046413	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"271129"	375.230802	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"667926"	545.361502	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1282516"	205.100102	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"19606"	377.210006	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"456980"	547.340706	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"835148"	207.079306	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1562646"	207.079306	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"950529"	215.128894	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"362180"	385.259601	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"348255"	399.275251	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1493438"	229.144551	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"959888"	237.110851	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"112441"	205.100102	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"550297"	290.165452	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1021895"	120.034752	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1241835"	249.049585	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1305133"	251.105572	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1320198"	273.087529	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"911574"	283.116286	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1288691"	319.092964	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1368079"	135.118024	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1383505"	153.128	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"285994"	341.268676	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"681333"	511.399376	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1351852"	171.137976	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"128387"	171.137976	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"569406"	256.203326	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1042215"	86.072626	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"207195"	114.427742666667	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"648579"	171.137976	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1165614"	57.7175093333333	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"429982"	358.295223	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"790982"	528.425923	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1682937"	188.164523	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"334496"	179.6512495	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"724731"	264.7165995	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1481837"	94.5858995	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"399423"	363.250618	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"760419"	533.381318	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1607423"	193.119918	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"317823"	182.128947	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"712067"	267.194297	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1471359"	97.063597	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1061324"	65.0448233333333	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1259720"	203.164186	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"387048"	379.224558	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"749137"	549.355258	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1549002"	209.093858	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"305083"	190.115917	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"698599"	275.181267	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1450231"	105.050567	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"249415"	382.295226	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1223582"	212.164526	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1206740"	106.585901	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"203134"	385.23256	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"643176"	555.36326	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1144860"	215.10186	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"183415"	193.119918	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"625524"	278.185268	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1128665"	108.054568	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1412189"	72.3721373333333	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1434468"	217.143446	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"223067"	198.15294	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1511860"	231.19549	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"411179"	201.106888	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"770309"	286.172238	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1667046"	116.041538	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"253204"	404.277168	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1228466"	234.146468	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1715524"	234.169993	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1179784"	79.6994513333333	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1656974"	239.125388	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"161649"	417.18044	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"605583"	587.31114	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1090097"	247.04974	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"153477"	209.093858	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"593777"	294.159208	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1081204"	124.028508	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1107484"	249.064292	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1348610"	249.151907	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1015685"	253.191076	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1535634"	254.184708	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"991509"	127.099176	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1598041"	255.099328	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1428801"	285.130838	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1162575"	147.612451	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1709734"	302.157385	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1648663"	307.11278	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1586868"	323.08672	"C18027"	"(4R7S)-7-Isopropyl-4-methyloxepan-2-one;(4R7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;Mentholactone"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"815050"	162.0528	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M"	0
"988219"	143.03441	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"72450"	107.027924	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"509825"	161.045524	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"889814"	53.010324	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"8390"	161.045524	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"451228"	242.071924	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"826842"	80.019124	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"83554"	323.098324	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"520928"	485.151124	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"899085"	161.045524	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"48725"	340.124871	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"491576"	502.177671	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"869379"	178.072071	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"38375"	345.080266	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"483400"	507.133066	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"855733"	183.027466	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1619797"	183.027466	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"94420"	179.033863	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"539167"	260.060263	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"929401"	98.007463	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"269053"	359.075002	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"664754"	521.127802	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1281533"	197.022202	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"22995"	361.054206	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"462555"	523.107006	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"834894"	199.001406	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1557652"	199.001406	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"944078"	207.050994	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"362652"	369.103801	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"348000"	383.119451	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1492869"	221.066651	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"958941"	229.032951	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"110117"	197.022202	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"551745"	278.048602	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1021486"	115.995802	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1241946"	240.971685	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1304555"	243.027672	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1320554"	265.009629	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"912221"	275.038386	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1289335"	311.015064	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1367093"	127.040124	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1383493"	145.0501	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"285740"	325.112876	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"681443"	487.165676	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1352810"	163.060076	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"130685"	163.060076	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"569151"	244.086476	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1042325"	82.033676	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"205480"	109.042476	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"645771"	163.060076	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1165724"	55.024876	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"430092"	342.139423	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"789999"	504.192223	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1685234"	180.086623	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"330837"	171.5733495	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"725935"	252.5997495	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1477809"	90.5469495	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"392966"	347.094818	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"756518"	509.147618	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1604981"	185.042018	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"316110"	174.051047	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"709625"	255.077447	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1471469"	93.024647	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1060341"	62.35219	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1260923"	195.086286	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"382784"	363.068758	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"743779"	525.121558	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1545832"	201.015958	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"303006"	182.038017	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"695427"	263.064417	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1447420"	101.011617	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"247703"	366.139426	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1222598"	204.086626	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1206119"	102.546951	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"200449"	369.07676	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"640007"	531.12956	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1140961"	207.02396	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"179151"	185.042018	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"623083"	266.068418	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1123309"	104.015618	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1403916"	69.679504	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1432754"	209.065546	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"222083"	190.07504	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1509783"	223.11759	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"408738"	193.028988	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"770536"	274.055388	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1666792"	112.002588	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"253309"	388.121368	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1227477"	226.068568	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1714175"	226.092093	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1179040"	77.006818	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1650887"	231.047488	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"162851"	401.02464	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"603506"	563.07744	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1088020"	238.97184	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"152493"	201.015958	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"592061"	282.042358	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1078761"	119.989558	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1107594"	240.986392	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1346169"	241.074007	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1012514"	245.113176	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1531734"	246.106808	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"991619"	123.060226	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1598151"	247.021428	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1428547"	277.052938	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1161753"	143.573501	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1709844"	294.079485	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1648409"	299.03488	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1586978"	315.00882	"C18028"	"L-Fucono-15-lactone"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"816253"	530.0703	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M"	0
"989549"	511.05191	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-H2O-H"	-19.01839
"71467"	352.372924	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M-3H"	-3.021828
"511028"	529.063024	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M-3H"	-3.021828
"889924"	175.682824	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-3H"	-3.021828
"10686"	529.063024	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M-2H"	-2.014552
"452431"	794.098174	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M-2H"	-2.014552
"828045"	264.027874	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-2H"	-2.014552
"83664"	1059.133324	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M-H"	-1.007276
"522131"	1589.203624	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M-H"	-1.007276
"899929"	529.063024	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-H"	-1.007276
"48839"	1076.159871	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M-2H+NH4"	16.019271
"491686"	1606.230171	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M-2H+NH4"	16.019271
"869489"	546.089571	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-2H+NH4"	16.019271
"39578"	1081.115266	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M-2H+Na"	20.974666
"481323"	1611.185566	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M-2H+Na"	20.974666
"852563"	551.044966	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-2H+Na"	20.974666
"1619908"	551.044966	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Na-2H"	20.974666
"94976"	547.051363	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M-H+Cl"	33.962126
"539277"	812.086513	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M-H+Cl"	33.962126
"930604"	282.016213	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-H+Cl"	33.962126
"272443"	1095.110002	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+Cl"	34.969402
"665958"	1625.180302	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+Cl"	34.969402
"1281643"	565.039702	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Cl"	34.969402
"23105"	1097.089206	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M-2H+K"	36.948606
"460480"	1627.159506	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M-2H+K"	36.948606
"836097"	567.018906	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-2H+K"	36.948606
"1562865"	567.018906	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+K-2H"	36.948606
"946375"	575.068494	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-H+HCOOH"	44.998194
"364589"	1105.138801	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+HCOOH-H"	44.998201
"348110"	1119.154451	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+Hac-H"	59.013851
"1494142"	589.084151	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Hac-H"	59.013851
"959501"	597.050451	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-H+NaCOOH"	66.980151
"111568"	565.039702	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+2Cl"	69.938804
"550761"	830.074852	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+2Cl"	69.938804
"1023573"	300.004552	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2Cl"	69.938804
"1241569"	608.989185	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Br"	78.918885
"1304625"	611.045172	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Cl+HCOOH"	80.974872
"1320135"	633.027129	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Cl+NaCOOH"	102.956829
"911437"	643.055886	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M-H+CF3COOH"	112.985586
"1292687"	679.032564	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Cl+CF3COOH"	148.962264
"1367279"	495.057624	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H-2H2O"	-35.012676
"1382953"	513.0676	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H-H2O"	-17.0027
"282881"	1061.147876	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+H"	1.007276
"675666"	1591.218176	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+H"	1.007276
"1352428"	531.077576	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H"	1.007276
"127026"	531.077576	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+2H"	2.014552
"569261"	796.112726	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+2H"	2.014552
"1038424"	266.042426	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2H"	2.014552
"204983"	354.387476	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+3H"	3.021828
"645515"	531.077576	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+3H"	3.021828
"1164367"	177.697376	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+3H"	3.021828
"431296"	1078.174423	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+NH4"	18.033823
"786215"	1608.244723	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+NH4"	18.033823
"1687531"	548.104123	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+NH4"	18.033823
"340182"	539.5908495	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+H+NH4"	19.041099
"730417"	804.6259995	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+H+NH4"	19.041099
"1483147"	274.5556995	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H+NH4"	19.041099
"395994"	1083.129818	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+Na"	22.989218
"758450"	1613.200118	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+Na"	22.989218
"1607640"	553.059518	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Na"	22.989218
"316947"	542.068547	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+H+Na"	23.996494
"711189"	807.103697	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+H+Na"	23.996494
"1472672"	277.033397	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H+Na"	23.996494
"1054980"	185.02469	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2H+Na"	25.00377
"1257425"	563.103786	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+CH3OH+H"	33.033486
"386171"	1099.103758	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+K"	38.963158
"744979"	1629.174058	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+K"	38.963158
"1543752"	569.033458	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+K"	38.963158
"305302"	550.055517	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+H+K"	39.970434
"697723"	815.090667	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+H+K"	39.970434
"1451542"	285.020367	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H+K"	39.970434
"248540"	1102.174426	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+H"	42.033826
"1218331"	572.104126	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+ACN+H"	42.033826
"1206955"	286.555701	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+ACN+2H"	43.041102
"195086"	1105.11176	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+2Na-H"	44.97116
"631364"	1635.18206	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+2Na-H"	44.97116
"1141435"	575.04146	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2Na-H"	44.97116
"180355"	553.059518	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+2Na"	45.978436
"623193"	818.094668	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+2Na"	45.978436
"1122325"	288.024368	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2Na"	45.978436
"1404025"	192.352004	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H+2Na"	46.985712
"1431767"	577.083046	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H+HCOOH"	47.012746
"220487"	558.09254	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+3H2O+2H"	56.04448
"1509890"	591.13509	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+H"	61.06479
"408924"	561.046488	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+Na+K"	61.952376
"770567"	826.081638	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+Na+K"	61.952376
"1666167"	296.011338	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Na+K"	61.952376
"251451"	1124.156368	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+ACN+Na"	64.015768
"1225681"	594.086068	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+ACN+Na"	64.015768
"1712840"	594.109593	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+NH4+HCOOH"	64.039293
"1179107"	199.679318	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+3Na"	68.967654
"1651726"	599.064988	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Na+HCOOH"	68.994688
"162961"	1137.05964	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+2K-H"	76.91904
"603616"	1667.12994	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+2K-H"	76.91904
"1087034"	606.98934	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2K-H"	76.91904
"144946"	569.033458	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"2M+2K"	77.926316
"592168"	834.068608	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"3M+2K"	77.926316
"1077049"	303.998308	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2K"	77.926316
"1106611"	609.003892	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2K+H"	78.933592
"1341903"	609.091507	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+DMSO+H"	79.021207
"1012623"	613.130676	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+H"	83.060376
"1534758"	614.124308	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+IsoProp+Na+H"	84.054008
"997197"	307.068976	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+2ACN+2H"	84.067652
"1597166"	615.038928	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+K+HCOOH"	84.968628
"1427199"	645.070438	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+H+CF3COOH"	115.000138
"1159674"	327.582251	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+3ACN+2H"	125.094202
"1707037"	662.096985	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+NH4+CF3COOH"	132.026685
"1645967"	667.05238	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+Na+CF3COOH"	136.98208
"1577247"	683.02632	"C18029"	"dTDP-3-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester"	"C16H24N2O14P2"	"530.0703"	"M+K+CF3COOH"	152.95602
"816966"	531.1019	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M"	0
"989725"	512.08351	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-H2O-H"	-19.01839
"77044"	353.060657333333	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M-3H"	-3.021828
"518307"	530.094624	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M-3H"	-3.021828
"895462"	176.026690666667	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-3H"	-3.021828
"15637"	530.094624	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M-2H"	-2.014552
"449261"	795.645574	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M-2H"	-2.014552
"827792"	264.543674	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-2H"	-2.014552
"83774"	1061.196524	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M-H"	-1.007276
"527708"	1592.298424	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M-H"	-1.007276
"898945"	530.094624	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-H"	-1.007276
"48947"	1078.223071	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M-2H+NH4"	16.019271
"500543"	1609.324971	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M-2H+NH4"	16.019271
"869599"	547.121171	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-2H+NH4"	16.019271
"38595"	1083.178466	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M-2H+Na"	20.974666
"481433"	1614.280366	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M-2H+Na"	20.974666
"852673"	552.076566	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-2H+Na"	20.974666
"1623298"	552.076566	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Na-2H"	20.974666
"94762"	548.082963	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M-H+Cl"	33.962126
"540482"	813.633913	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M-H+Cl"	33.962126
"929621"	282.532013	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-H+Cl"	33.962126
"275834"	1097.173202	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+Cl"	34.969402
"671536"	1628.275102	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+Cl"	34.969402
"1281753"	566.071302	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Cl"	34.969402
"21028"	1099.152406	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M-2H+K"	36.948606
"461685"	1630.254306	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M-2H+K"	36.948606
"835112"	568.050506	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-2H+K"	36.948606
"1560789"	568.050506	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+K-2H"	36.948606
"946849"	576.100094	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-H+HCOOH"	44.998194
"361781"	1107.202001	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+HCOOH-H"	44.998201
"350042"	1121.217651	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+Hac-H"	59.013851
"1493082"	590.115751	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Hac-H"	59.013851
"961313"	598.082051	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-H+NaCOOH"	66.980151
"111678"	566.071302	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+2Cl"	69.938804
"550872"	831.622252	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+2Cl"	69.938804
"1026964"	300.520352	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2Cl"	69.938804
"1243625"	610.020785	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Br"	78.918885
"1306805"	612.076772	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Cl+HCOOH"	80.974872
"1323934"	634.058729	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Cl+NaCOOH"	102.956829
"913171"	644.087486	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M-H+CF3COOH"	112.985586
"1292066"	680.064164	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Cl+CF3COOH"	148.962264
"1369498"	496.089224	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H-2H2O"	-35.012676
"1382900"	514.0992	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H-H2O"	-17.0027
"283401"	1063.211076	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+H"	1.007276
"676190"	1594.312976	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+H"	1.007276
"1352543"	532.109176	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H"	1.007276
"126894"	532.109176	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+2H"	2.014552
"567549"	797.660126	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+2H"	2.014552
"1037804"	266.558226	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2H"	2.014552
"204296"	355.075209333333	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+3H"	3.021828
"645263"	532.109176	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+3H"	3.021828
"1165210"	178.041242666667	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+3H"	3.021828
"431406"	1080.237623	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+NH4"	18.033823
"791309"	1611.339523	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+NH4"	18.033823
"1690922"	549.135723	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+NH4"	18.033823
"340292"	540.6224495	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+H+NH4"	19.041099
"727246"	806.1733995	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+H+NH4"	19.041099
"1481071"	275.0714995	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H+NH4"	19.041099
"397563"	1085.193018	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+Na"	22.989218
"758560"	1616.294918	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+Na"	22.989218
"1607751"	554.091118	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Na"	22.989218
"318151"	543.100147	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+H+Na"	23.996494
"711300"	808.651097	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+H+Na"	23.996494
"1470596"	277.549197	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H+Na"	23.996494
"1058369"	185.368556666667	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2H+Na"	25.00377
"1258954"	564.135386	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+CH3OH+H"	33.033486
"385189"	1101.166958	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+K"	38.963158
"745089"	1632.268858	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+K"	38.963158
"1548236"	570.065058	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+K"	38.963158
"304319"	551.087117	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+H+K"	39.970434
"698925"	816.638067	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+H+K"	39.970434
"1450559"	285.536167	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H+K"	39.970434
"250839"	1104.237626	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+H"	42.033826
"1220628"	573.135726	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+ACN+H"	42.033826
"1206336"	287.071501	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+ACN+2H"	43.041102
"197383"	1107.17496	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+2Na-H"	44.97116
"631474"	1638.27686	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+2Na-H"	44.97116
"1142638"	576.07306	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2Na-H"	44.97116
"183747"	554.091118	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+2Na"	45.978436
"623302"	819.642068	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+2Na"	45.978436
"1126808"	288.540168	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2Na"	45.978436
"1404497"	192.695870666667	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H+2Na"	46.985712
"1440264"	578.114646	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H+HCOOH"	47.012746
"228865"	559.12414	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+3H2O+2H"	56.04448
"1518019"	592.16669	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+H"	61.06479
"416613"	562.078088	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+Na+K"	61.952376
"777608"	827.629038	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+Na+K"	61.952376
"1668471"	296.527138	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Na+K"	61.952376
"254988"	1126.219568	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+Na"	64.015768
"1226356"	595.117668	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+ACN+Na"	64.015768
"1713303"	595.141193	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+NH4+HCOOH"	64.039293
"1179141"	200.023184666667	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+3Na"	68.967654
"1654023"	600.096588	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Na+HCOOH"	68.994688
"163072"	1139.12284	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+2K-H"	76.91904
"604819"	1670.22474	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+2K-H"	76.91904
"1087146"	608.02094	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2K-H"	76.91904
"148337"	570.065058	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"2M+2K"	77.926316
"593373"	835.616008	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"3M+2K"	77.926316
"1077524"	304.514108	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2K"	77.926316
"1112189"	610.035492	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2K+H"	78.933592
"1345296"	610.123107	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+DMSO+H"	79.021207
"1014920"	614.162276	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+H"	83.060376
"1531952"	615.155908	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+Na+H"	84.054008
"995120"	307.584776	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+2H"	84.067652
"1599463"	616.070528	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+K+HCOOH"	84.968628
"1429496"	646.102038	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+H+CF3COOH"	115.000138
"1160880"	328.098051	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+3ACN+2H"	125.094202
"1708241"	663.128585	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+NH4+CF3COOH"	132.026685
"1646077"	668.08398	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+Na+CF3COOH"	136.98208
"1577357"	684.05792	"C18030"	"dTDP-26-dideoxy-D-kanosamine;dTDP-(3-amino-236-trideoxy-alpha-D-arabino-hexopyranosyl) ester"	"C16H27N3O13P2"	"531.1019"	"M+K+CF3COOH"	152.95602
"814287"	559.1332	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M"	0
"987820"	540.11481	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-H2O-H"	-19.01839
"71687"	371.748190666667	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M-3H"	-3.021828
"511247"	558.125924	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M-3H"	-3.021828
"891236"	185.370457333333	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-3H"	-3.021828
"12728"	558.125924	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H"	-2.014552
"449371"	837.692524	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H"	-2.014552
"827902"	278.559324	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H"	-2.014552
"83884"	1117.259124	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M-H"	-1.007276
"524538"	1676.392324	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M-H"	-1.007276
"896747"	558.125924	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-H"	-1.007276
"47841"	1134.285671	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+NH4"	16.019271
"498103"	1693.418871	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+NH4"	16.019271
"869709"	575.152471	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+NH4"	16.019271
"37611"	1139.241066	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+Na"	20.974666
"480450"	1698.374266	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+Na"	20.974666
"852783"	580.107866	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+Na"	20.974666
"1623408"	580.107866	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na-2H"	20.974666
"94589"	576.114263	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M-H+Cl"	33.962126
"537310"	855.680863	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M-H+Cl"	33.962126
"929731"	296.547663	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+Cl"	33.962126
"272663"	1153.235802	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Cl"	34.969402
"661803"	1712.369002	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Cl"	34.969402
"1280770"	594.102602	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl"	34.969402
"21138"	1155.215006	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+K"	36.948606
"461794"	1714.348206	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+K"	36.948606
"834127"	596.081806	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+K"	36.948606
"1557618"	596.081806	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+K-2H"	36.948606
"947687"	604.131394	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+HCOOH"	44.998194
"362983"	1163.264601	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+HCOOH-H"	44.998201
"348693"	1177.280251	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Hac-H"	59.013851
"1493882"	618.147051	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Hac-H"	59.013851
"960694"	626.113351	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+NaCOOH"	66.980151
"111059"	594.102602	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Cl"	69.938804
"551713"	873.669202	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Cl"	69.938804
"1026710"	314.536002	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Cl"	69.938804
"1245193"	638.052085	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Br"	78.918885
"1308010"	640.108072	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+HCOOH"	80.974872
"1322951"	662.090029	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+NaCOOH"	102.956829
"915104"	672.118786	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+CF3COOH"	112.985586
"1292176"	708.095464	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+CF3COOH"	148.962264
"1372162"	524.120524	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H-2H2O"	-35.012676
"1382847"	542.1305	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H-H2O"	-17.0027
"283147"	1119.273676	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H"	1.007276
"676057"	1678.406876	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H"	1.007276
"1352652"	560.140476	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H"	1.007276
"126639"	560.140476	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2H"	2.014552
"567418"	839.707076	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2H"	2.014552
"1037236"	280.573876	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2H"	2.014552
"205451"	373.762742666667	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+3H"	3.021828
"644359"	560.140476	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+3H"	3.021828
"1164950"	187.385009333333	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+3H"	3.021828
"428236"	1136.300223	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+NH4"	18.033823
"793606"	1695.433423	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+NH4"	18.033823
"1686658"	577.167023	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4"	18.033823
"340403"	568.6537495	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+NH4"	19.041099
"731731"	848.2203495	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+NH4"	19.041099
"1481181"	289.0871495	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+NH4"	19.041099
"396580"	1141.255618	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Na"	22.989218
"759763"	1700.388818	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Na"	22.989218
"1607861"	582.122418	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na"	22.989218
"316805"	571.131447	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+Na"	23.996494
"712503"	850.698047	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+Na"	23.996494
"1468511"	291.564847	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+Na"	23.996494
"1059576"	194.712323333333	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2H+Na"	25.00377
"1265625"	592.166686	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+CH3OH+H"	33.033486
"384199"	1157.229558	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+K"	38.963158
"745196"	1716.362758	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+K"	38.963158
"1548346"	598.096358	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+K"	38.963158
"303334"	579.118417	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+K"	39.970434
"697942"	858.685017	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+K"	39.970434
"1450672"	299.551817	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+K"	39.970434
"250219"	1160.300226	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+H"	42.033826
"1219645"	601.167026	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+H"	42.033826
"1205353"	301.087151	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+2H"	43.041102
"194577"	1163.23756	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Na-H"	44.97116
"630612"	1722.37076	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Na-H"	44.97116
"1139468"	604.10436	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Na-H"	44.97116
"183856"	582.122418	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Na"	45.978436
"624505"	861.689018	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Na"	45.978436
"1125825"	302.555818	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Na"	45.978436
"1403514"	202.039637333333	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+2Na"	46.985712
"1439281"	606.145946	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+HCOOH"	47.012746
"228975"	587.15544	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+3H2O+2H"	56.04448
"1514849"	620.19799	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+H"	61.06479
"416723"	590.109388	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Na+K"	61.952376
"776625"	869.675988	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Na+K"	61.952376
"1669674"	310.542788	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+K"	61.952376
"254734"	1182.282168	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+Na"	64.015768
"1226350"	623.148968	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+Na"	64.015768
"1713655"	623.172493	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4+HCOOH"	64.039293
"1178641"	209.366951333333	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+3Na"	68.967654
"1654133"	628.127888	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+HCOOH"	68.994688
"162089"	1195.18544	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2K-H"	76.91904
"606024"	1754.31864	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2K-H"	76.91904
"1090536"	636.05224	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K-H"	76.91904
"148447"	598.096358	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2K"	77.926316
"593482"	877.662958	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2K"	77.926316
"1080911"	318.529758	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K"	77.926316
"1110112"	638.066792	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K+H"	78.933592
"1344312"	638.154407	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+DMSO+H"	79.021207
"1011749"	642.193576	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+H"	83.060376
"1533155"	643.187208	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+Na+H"	84.054008
"1001790"	321.600426	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+2H"	84.067652
"1598479"	644.101828	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+K+HCOOH"	84.968628
"1429000"	674.133338	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+CF3COOH"	115.000138
"1160987"	342.113701	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+3ACN+2H"	125.094202
"1708351"	691.159885	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4+CF3COOH"	132.026685
"1646187"	696.11528	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+CF3COOH"	136.98208
"1577467"	712.08922	"C18031"	"dTDP-D-angolosamine"	"C18H31N3O13P2"	"559.1332"	"M+K+CF3COOH"	152.95602
"812211"	514.0754	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M"	0
"985743"	495.05701	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-H2O-H"	-19.01839
"72890"	341.709657333333	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M-3H"	-3.021828
"511357"	513.068124	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M-3H"	-3.021828
"886971"	170.351190666667	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-3H"	-3.021828
"9920"	513.068124	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M-2H"	-2.014552
"449481"	770.105824	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M-2H"	-2.014552
"826189"	256.030424	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-2H"	-2.014552
"82901"	1027.143524	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M-H"	-1.007276
"521366"	1541.218924	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M-H"	-1.007276
"900259"	513.068124	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-H"	-1.007276
"47382"	1044.170071	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M-2H+NH4"	16.019271
"501130"	1558.245471	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M-2H+NH4"	16.019271
"872735"	530.094671	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-2H+NH4"	16.019271
"41002"	1049.125466	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M-2H+Na"	20.974666
"479467"	1563.200866	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M-2H+Na"	20.974666
"859089"	535.050066	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-2H+Na"	20.974666
"1626799"	535.050066	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Na-2H"	20.974666
"96768"	531.056463	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M-H+Cl"	33.962126
"540702"	788.094163	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M-H+Cl"	33.962126
"930936"	274.018763	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-H+Cl"	33.962126
"276055"	1063.120202	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+Cl"	34.969402
"667382"	1577.195602	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+Cl"	34.969402
"1280880"	549.044802	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Cl"	34.969402
"22344"	1065.099406	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M-2H+K"	36.948606
"457532"	1579.174806	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M-2H+K"	36.948606
"835331"	551.024006	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-2H+K"	36.948606
"1564290"	551.024006	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+K-2H"	36.948606
"949985"	559.073594	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-H+HCOOH"	44.998194
"365284"	1073.149001	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+HCOOH-H"	44.998201
"349168"	1087.164651	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+Hac-H"	59.013851
"1495454"	573.089251	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Hac-H"	59.013851
"965180"	581.055551	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-H+NaCOOH"	66.980151
"112994"	549.044802	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+2Cl"	69.938804
"551825"	806.082502	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+2Cl"	69.938804
"1022811"	292.007102	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2Cl"	69.938804
"1242873"	592.994285	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Br"	78.918885
"1312128"	595.050272	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Cl+HCOOH"	80.974872
"1328531"	617.032229	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Cl+NaCOOH"	102.956829
"920682"	627.060986	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M-H+CF3COOH"	112.985586
"1294109"	663.037664	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Cl+CF3COOH"	148.962264
"1368991"	479.062724	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H-2H2O"	-35.012676
"1383326"	497.0727	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H-H2O"	-17.0027
"284352"	1029.158076	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+H"	1.007276
"676207"	1543.233476	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+H"	1.007276
"1352034"	515.082676	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H"	1.007276
"128936"	515.082676	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+2H"	2.014552
"568498"	772.120376	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+2H"	2.014552
"1037777"	258.044976	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2H"	2.014552
"204912"	343.724209333333	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+3H"	3.021828
"645236"	515.082676	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+3H"	3.021828
"1164214"	172.365742666667	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+3H"	3.021828
"428345"	1046.184623	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+NH4"	18.033823
"788249"	1560.260023	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+NH4"	18.033823
"1686768"	532.109223	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+NH4"	18.033823
"337233"	523.5959495	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+H+NH4"	19.041099
"731842"	780.6336495	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+H+NH4"	19.041099
"1482384"	266.5582495	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H+NH4"	19.041099
"398877"	1051.140018	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+Na"	22.989218
"759873"	1565.215418	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+Na"	22.989218
"1610157"	537.064618	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Na"	22.989218
"320194"	526.073647	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+H+Na"	23.996494
"711520"	783.111347	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+H+Na"	23.996494
"1464247"	269.035947	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H+Na"	23.996494
"1056398"	179.693056666667	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2H+Na"	25.00377
"1266828"	547.108886	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+CH3OH+H"	33.033486
"382122"	1067.113958	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+K"	38.963158
"746399"	1581.189358	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+K"	38.963158
"1547362"	553.038558	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+K"	38.963158
"303444"	534.060617	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+H+K"	39.970434
"698052"	791.098317	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+H+K"	39.970434
"1448595"	277.022917	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H+K"	39.970434
"248140"	1070.184626	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+ACN+H"	42.033826
"1218662"	556.109226	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+ACN+H"	42.033826
"1202546"	278.558251	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+ACN+2H"	43.041102
"192500"	1073.12196	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+2Na-H"	44.97116
"631694"	1587.19736	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+2Na-H"	44.97116
"1140671"	559.04656	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2Na-H"	44.97116
"181780"	537.064618	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+2Na"	45.978436
"624615"	794.102318	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+2Na"	45.978436
"1124841"	280.026918	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2Na"	45.978436
"1406177"	187.020370666667	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H+2Na"	46.985712
"1439390"	561.088146	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H+HCOOH"	47.012746
"229084"	542.09764	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+3H2O+2H"	56.04448
"1512772"	575.14019	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+IsoProp+H"	61.06479
"415739"	545.051588	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+Na+K"	61.952376
"775641"	802.089288	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+Na+K"	61.952376
"1673064"	288.013888	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Na+K"	61.952376
"252292"	1092.166568	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+ACN+Na"	64.015768
"1226461"	578.091168	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+ACN+Na"	64.015768
"1713526"	578.114693	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+NH4+HCOOH"	64.039293
"1178711"	194.347684666667	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+3Na"	68.967654
"1653150"	583.070088	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Na+HCOOH"	68.994688
"162199"	1105.06984	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+2K-H"	76.91904
"606134"	1619.14524	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+2K-H"	76.91904
"1090647"	590.99444	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2K-H"	76.91904
"148558"	553.038558	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"2M+2K"	77.926316
"592864"	810.076258	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"3M+2K"	77.926316
"1079198"	296.000858	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2K"	77.926316
"1110950"	593.008992	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2K+H"	78.933592
"1347335"	593.096607	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+DMSO+H"	79.021207
"1014045"	597.135776	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2ACN+H"	83.060376
"1533265"	598.129408	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+IsoProp+Na+H"	84.054008
"996431"	299.071526	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+2ACN+2H"	84.067652
"1599682"	599.044028	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+K+HCOOH"	84.968628
"1428988"	629.075538	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+H+CF3COOH"	115.000138
"1157817"	319.584801	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+3ACN+2H"	125.094202
"1709554"	646.102085	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+NH4+CF3COOH"	132.026685
"1646297"	651.05748	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+Na+CF3COOH"	136.98208
"1577577"	667.03142	"C18032"	"dTDP-4-oxo-236-trideoxy-D-glucose;dTDP-(2R6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl ester;dTDP-4-dehydro-236-trideoxy-alpha-D-hexopyranose"	"C16H24N2O13P2"	"514.0754"	"M+K+CF3COOH"	152.95602
"813414"	515.107	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M"	0
"988039"	496.08861	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-H2O-H"	-19.01839
"74093"	342.397390666667	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M-3H"	-3.021828
"513654"	514.099724	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M-3H"	-3.021828
"890362"	170.695057333333	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-3H"	-3.021828
"11489"	514.099724	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M-2H"	-2.014552
"449591"	771.653224	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M-2H"	-2.014552
"828122"	256.546224	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-2H"	-2.014552
"86291"	1029.206724	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M-H"	-1.007276
"525849"	1544.313724	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M-H"	-1.007276
"900372"	514.099724	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-H"	-1.007276
"50373"	1046.233271	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M-2H+NH4"	16.019271
"501362"	1561.340271	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M-2H+NH4"	16.019271
"873209"	531.126271	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-2H+NH4"	16.019271
"44028"	1051.188666	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M-2H+Na"	20.974666
"485775"	1566.295666	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M-2H+Na"	20.974666
"859566"	536.081666	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-2H+Na"	20.974666
"1628006"	536.081666	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Na-2H"	20.974666
"103438"	532.088063	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M-H+Cl"	33.962126
"547375"	789.641563	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M-H+Cl"	33.962126
"934326"	274.534563	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-H+Cl"	33.962126
"278351"	1065.183402	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+Cl"	34.969402
"670772"	1580.290402	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+Cl"	34.969402
"1283906"	550.076402	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Cl"	34.969402
"25731"	1067.162606	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M-2H+K"	36.948606
"459831"	1582.269606	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M-2H+K"	36.948606
"835445"	552.055606	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-2H+K"	36.948606
"1562214"	552.055606	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+K-2H"	36.948606
"947907"	560.105194	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-H+HCOOH"	44.998194
"365757"	1075.212201	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+HCOOH-H"	44.998201
"351465"	1089.227851	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+Hac-H"	59.013851
"1497019"	574.120851	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Hac-H"	59.013851
"966386"	582.087151	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-H+NaCOOH"	66.980151
"113835"	550.076402	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+2Cl"	69.938804
"553760"	807.629902	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+2Cl"	69.938804
"1027662"	292.522902	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2Cl"	69.938804
"1242864"	594.025885	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Br"	78.918885
"1308593"	596.081872	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Cl+HCOOH"	80.974872
"1322078"	618.063829	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Cl+NaCOOH"	102.956829
"915325"	628.092586	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M-H+CF3COOH"	112.985586
"1294220"	664.069264	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Cl+CF3COOH"	148.962264
"1374568"	480.094324	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H-2H2O"	-35.012676
"1384776"	498.1043	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H-H2O"	-17.0027
"286284"	1031.221276	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+H"	1.007276
"676885"	1546.328276	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+H"	1.007276
"1358346"	516.114276	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H"	1.007276
"133421"	516.114276	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+2H"	2.014552
"574076"	773.667776	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+2H"	2.014552
"1043969"	258.560776	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2H"	2.014552
"208589"	344.411942666667	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+3H"	3.021828
"648148"	516.114276	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+3H"	3.021828
"1171739"	172.709609333333	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+3H"	3.021828
"427362"	1048.247823	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+NH4"	18.033823
"797109"	1563.354823	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+NH4"	18.033823
"1686878"	533.140823	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+NH4"	18.033823
"340623"	524.6275495	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+H+NH4"	19.041099
"731954"	782.1810495	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+H+NH4"	19.041099
"1482494"	267.0740495	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H+NH4"	19.041099
"397894"	1053.203218	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+Na"	22.989218
"759983"	1568.310218	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+Na"	22.989218
"1611362"	538.096218	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Na"	22.989218
"322491"	527.105247	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+H+Na"	23.996494
"717099"	784.658747	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+H+Na"	23.996494
"1469825"	269.551747	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H+Na"	23.996494
"1064164"	180.036923333333	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2H+Na"	25.00377
"1264751"	548.140486	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+CH3OH+H"	33.033486
"381138"	1069.177158	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+K"	38.963158
"745415"	1584.284158	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+K"	38.963158
"1548565"	554.070158	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+K"	38.963158
"304646"	535.092217	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+H+K"	39.970434
"700348"	792.645717	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+H+K"	39.970434
"1451983"	277.538717	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H+K"	39.970434
"244969"	1072.247826	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+ACN+H"	42.033826
"1218770"	557.140826	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+ACN+H"	42.033826
"1202655"	279.074051	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+ACN+2H"	43.041102
"194797"	1075.18516	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+2Na-H"	44.97116
"631804"	1590.29216	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+2Na-H"	44.97116
"1141874"	560.07816	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2Na-H"	44.97116
"182982"	538.096218	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+2Na"	45.978436
"625818"	795.649718	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+2Na"	45.978436
"1126044"	280.542718	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2Na"	45.978436
"1406287"	187.364237333333	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H+2Na"	46.985712
"1442414"	562.119746	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H+HCOOH"	47.012746
"227006"	543.12924	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+3H2O+2H"	56.04448
"1515432"	576.17179	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+IsoProp+H"	61.06479
"415849"	546.083188	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+Na+K"	61.952376
"774657"	803.636688	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+Na+K"	61.952376
"1667707"	288.529688	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Na+K"	61.952376
"251671"	1094.229768	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+ACN+Na"	64.015768
"1225920"	579.122768	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+ACN+Na"	64.015768
"1713388"	579.146293	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+NH4+HCOOH"	64.039293
"1179718"	194.691551333333	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+3Na"	68.967654
"1650705"	584.101688	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Na+HCOOH"	68.994688
"160116"	1107.13304	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+2K-H"	76.91904
"606244"	1622.24004	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+2K-H"	76.91904
"1088570"	592.02604	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2K-H"	76.91904
"148668"	554.070158	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"2M+2K"	77.926316
"592971"	811.623658	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"3M+2K"	77.926316
"1078581"	296.516658	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2K"	77.926316
"1108873"	594.040592	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2K+H"	78.933592
"1342343"	594.128207	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+DMSO+H"	79.021207
"1013062"	598.167376	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2ACN+H"	83.060376
"1529000"	599.161008	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+IsoProp+Na+H"	84.054008
"994355"	299.587326	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+2ACN+2H"	84.067652
"1599428"	600.075628	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+K+HCOOH"	84.968628
"1427640"	630.107138	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+H+CF3COOH"	115.000138
"1160113"	320.100601	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+3ACN+2H"	125.094202
"1708570"	647.133685	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+NH4+CF3COOH"	132.026685
"1646407"	652.08908	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+Na+CF3COOH"	136.98208
"1577687"	668.06302	"C18033"	"dTDP-4-amino-2346-tetradeoxy-D-glucose;dTDP-(2R5S6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl ester;dTDP-4-amino-2346-tetradeoxy-alpha-D-erythro-hexopyranose"	"C16H27N3O12P2"	"515.107"	"M+K+CF3COOH"	152.95602
"812430"	543.1383	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M"	0
"985962"	524.11991	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-H2O-H"	-19.01839
"70923"	361.084924	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M-3H"	-3.021828
"513764"	542.131024	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M-3H"	-3.021828
"891566"	180.038824	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-3H"	-3.021828
"12693"	542.131024	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M-2H"	-2.014552
"451891"	813.700174	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M-2H"	-2.014552
"827503"	270.561874	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-2H"	-2.014552
"86402"	1085.269324	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M-H"	-1.007276
"524868"	1628.407624	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M-H"	-1.007276
"900480"	542.131024	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-H"	-1.007276
"50485"	1102.295871	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M-2H+NH4"	16.019271
"500256"	1645.434171	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M-2H+NH4"	16.019271
"872228"	559.157571	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-2H+NH4"	16.019271
"45595"	1107.251266	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M-2H+Na"	20.974666
"484793"	1650.389566	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M-2H+Na"	20.974666
"859676"	564.112966	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-2H+Na"	20.974666
"1630303"	564.112966	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Na-2H"	20.974666
"107559"	560.119363	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M-H+Cl"	33.962126
"547121"	831.688513	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M-H+Cl"	33.962126
"934436"	288.550213	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-H+Cl"	33.962126
"278461"	1121.246002	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+Cl"	34.969402
"670882"	1664.384302	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+Cl"	34.969402
"1283287"	578.107702	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Cl"	34.969402
"25841"	1123.225206	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M-2H+K"	36.948606
"459941"	1666.363506	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M-2H+K"	36.948606
"835555"	580.086906	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-2H+K"	36.948606
"1562324"	580.086906	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+K-2H"	36.948606
"946195"	588.136494	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-H+HCOOH"	44.998194
"364406"	1131.274801	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+HCOOH-H"	44.998201
"349749"	1145.290451	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+Hac-H"	59.013851
"1502234"	602.152151	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Hac-H"	59.013851
"967589"	610.118451	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-H+NaCOOH"	66.980151
"116860"	578.107702	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+2Cl"	69.938804
"556422"	849.676852	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+2Cl"	69.938804
"1027408"	306.538552	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2Cl"	69.938804
"1245892"	622.057185	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Br"	78.918885
"1306516"	624.113172	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Cl+HCOOH"	80.974872
"1324379"	646.095129	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Cl+NaCOOH"	102.956829
"916530"	656.123886	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M-H+CF3COOH"	112.985586
"1294330"	692.100564	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Cl+CF3COOH"	148.962264
"1373585"	508.125624	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H-2H2O"	-35.012676
"1385982"	526.1356	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H-H2O"	-17.0027
"284938"	1087.283876	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+H"	1.007276
"676268"	1630.422176	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+H"	1.007276
"1361735"	544.145576	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H"	1.007276
"131344"	544.145576	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+2H"	2.014552
"575279"	815.714726	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+2H"	2.014552
"1044079"	272.576426	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2H"	2.014552
"207605"	363.099476	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+3H"	3.021828
"650445"	544.145576	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+3H"	3.021828
"1170756"	182.053376	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+3H"	3.021828
"428566"	1104.310423	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+NH4"	18.033823
"793939"	1647.448723	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+NH4"	18.033823
"1685895"	561.172123	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+NH4"	18.033823
"338547"	552.6588495	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+H+NH4"	19.041099
"733157"	824.2279995	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+H+NH4"	19.041099
"1481509"	281.0896995	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H+NH4"	19.041099
"401284"	1109.265818	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+Na"	22.989218
"761186"	1652.404118	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+Na"	22.989218
"1609286"	566.127518	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Na"	22.989218
"321509"	555.136547	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+H+Na"	23.996494
"711741"	826.705697	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+H+Na"	23.996494
"1465562"	283.567397	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H+Na"	23.996494
"1062088"	189.38069	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2H+Na"	25.00377
"1265952"	576.171786	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+CH3OH+H"	33.033486
"382340"	1125.239758	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+K"	38.963158
"745524"	1668.378058	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+K"	38.963158
"1547581"	582.101458	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+K"	38.963158
"305850"	563.123517	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+H+K"	39.970434
"697179"	834.692667	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+H+K"	39.970434
"1448815"	291.554367	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H+K"	39.970434
"247994"	1128.310426	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+ACN+H"	42.033826
"1217786"	585.172126	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+ACN+H"	42.033826
"1202764"	293.089701	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+ACN+2H"	43.041102
"191991"	1131.24776	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+2Na-H"	44.97116
"633007"	1674.38606	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+2Na-H"	44.97116
"1140891"	588.10946	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2Na-H"	44.97116
"183821"	566.127518	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+2Na"	45.978436
"621555"	837.696668	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+2Na"	45.978436
"1126154"	294.558368	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2Na"	45.978436
"1403481"	196.708004	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H+2Na"	46.985712
"1438515"	590.151046	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H+HCOOH"	47.012746
"224929"	571.16054	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+3H2O+2H"	56.04448
"1509467"	604.20309	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+IsoProp+H"	61.06479
"411586"	574.114488	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+Na+K"	61.952376
"773674"	845.683638	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+Na+K"	61.952376
"1667819"	302.545338	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Na+K"	61.952376
"252512"	1150.292368	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+ACN+Na"	64.015768
"1226070"	607.154068	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+ACN+Na"	64.015768
"1712749"	607.177593	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+NH4+HCOOH"	64.039293
"1178523"	204.035318	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+3Na"	68.967654
"1651537"	612.132988	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Na+HCOOH"	68.994688
"157668"	1163.19564	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+2K-H"	76.91904
"599794"	1706.33394	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+2K-H"	76.91904
"1085400"	620.05734	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2K-H"	76.91904
"148778"	582.101458	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"2M+2K"	77.926316
"591623"	853.670608	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"3M+2K"	77.926316
"1079783"	310.532308	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2K"	77.926316
"1110806"	622.071892	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2K+H"	78.933592
"1343542"	622.159507	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+DMSO+H"	79.021207
"1015359"	626.198676	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2ACN+H"	83.060376
"1533483"	627.192308	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+IsoProp+Na+H"	84.054008
"996651"	313.602976	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+2ACN+2H"	84.067652
"1598809"	628.106928	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+K+HCOOH"	84.968628
"1427750"	658.138438	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+H+CF3COOH"	115.000138
"1160223"	334.116251	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+3ACN+2H"	125.094202
"1708680"	675.164985	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+NH4+CF3COOH"	132.026685
"1646517"	680.12038	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+Na+CF3COOH"	136.98208
"1577797"	696.09432	"C18034"	"dTDP-D-forosamine;dTDP-alpha-D-forosamine;dTDP-(2R5S6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl ester"	"C18H31N3O12P2"	"543.1383"	"M+K+CF3COOH"	152.95602
"815821"	544.0859	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M"	0
"989354"	525.06751	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-H2O-H"	-19.01839
"77232"	361.716657333333	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M-3H"	-3.021828
"512783"	543.078624	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M-3H"	-3.021828
"892770"	180.354690666667	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-3H"	-3.021828
"13534"	543.078624	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M-2H"	-2.014552
"449814"	815.121574	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M-2H"	-2.014552
"827614"	271.035674	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-2H"	-2.014552
"85423"	1087.164524	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M-H"	-1.007276
"526072"	1631.250424	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M-H"	-1.007276
"899497"	543.078624	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-H"	-1.007276
"52782"	1104.191071	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M-2H+NH4"	16.019271
"489303"	1648.276971	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M-2H+NH4"	16.019271
"872337"	560.105171	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-2H+NH4"	16.019271
"41332"	1109.146466	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M-2H+Na"	20.974666
"481623"	1653.232366	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M-2H+Na"	20.974666
"859786"	565.060566	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-2H+Na"	20.974666
"1628227"	565.060566	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Na-2H"	20.974666
"105847"	561.066963	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M-H+Cl"	33.962126
"543221"	833.109913	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M-H+Cl"	33.962126
"934546"	289.024013	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-H+Cl"	33.962126
"277478"	1123.141202	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+Cl"	34.969402
"667712"	1667.227102	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+Cl"	34.969402
"1280115"	579.055302	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Cl"	34.969402
"22671"	1125.120406	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M-2H+K"	36.948606
"458592"	1669.206306	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M-2H+K"	36.948606
"835297"	581.034506	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-2H+K"	36.948606
"1557694"	581.034506	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+K-2H"	36.948606
"946305"	589.084094	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-H+HCOOH"	44.998194
"363784"	1133.170001	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+HCOOH-H"	44.998201
"349494"	1147.185651	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+Hac-H"	59.013851
"1501252"	603.099751	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Hac-H"	59.013851
"968429"	611.066051	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-H+NaCOOH"	66.980151
"119886"	579.055302	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+2Cl"	69.938804
"555438"	851.098252	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+2Cl"	69.938804
"1030434"	307.012352	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2Cl"	69.938804
"1247826"	623.004785	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Br"	78.918885
"1307720"	625.060772	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Cl+HCOOH"	80.974872
"1326676"	647.042729	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Cl+NaCOOH"	102.956829
"915547"	657.071486	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M-H+CF3COOH"	112.985586
"1291521"	693.048164	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Cl+CF3COOH"	148.962264
"1368589"	509.073224	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H-2H2O"	-35.012676
"1385726"	527.0832	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H-H2O"	-17.0027
"288694"	1089.179076	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+H"	1.007276
"677469"	1633.264976	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+H"	1.007276
"1356012"	545.093176	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H"	1.007276
"131454"	545.093176	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+2H"	2.014552
"569921"	817.136126	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+2H"	2.014552
"1043097"	273.050226	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2H"	2.014552
"210996"	363.731209333333	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+3H"	3.021828
"649462"	545.093176	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+3H"	3.021828
"1168680"	182.369242666667	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+3H"	3.021828
"426490"	1106.205623	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+NH4"	18.033823
"796235"	1650.291523	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+NH4"	18.033823
"1691473"	562.119723	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+NH4"	18.033823
"338658"	553.6064495	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+H+NH4"	19.041099
"731082"	825.6493995	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+H+NH4"	19.041099
"1482717"	281.5634995	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H+NH4"	19.041099
"400303"	1111.161018	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+Na"	22.989218
"766767"	1655.246918	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+Na"	22.989218
"1613770"	567.075118	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Na"	22.989218
"320527"	556.084147	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+H+Na"	23.996494
"710760"	828.127097	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+H+Na"	23.996494
"1466767"	284.041197	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H+Na"	23.996494
"1061105"	189.696556666667	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2H+Na"	25.00377
"1263876"	577.119386	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+CH3OH+H"	33.033486
"382449"	1127.134958	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+K"	38.963158
"740895"	1671.220858	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+K"	38.963158
"1545508"	583.049058	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+K"	38.963158
"304868"	564.071117	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+H+K"	39.970434
"696198"	836.114067	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+H+K"	39.970434
"1450018"	292.028167	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H+K"	39.970434
"249928"	1130.205626	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+ACN+H"	42.033826
"1217897"	586.119726	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+ACN+H"	42.033826
"1205061"	293.563501	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+ACN+2H"	43.041102
"199027"	1133.14296	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+2Na-H"	44.97116
"638587"	1677.22886	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+2Na-H"	44.97116
"1139906"	589.05706	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2Na-H"	44.97116
"183931"	567.075118	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+2Na"	45.978436
"619478"	839.118068	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+2Na"	45.978436
"1122984"	295.032168	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2Na"	45.978436
"1403591"	197.023870666667	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H+2Na"	46.985712
"1438624"	591.098646	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H+HCOOH"	47.012746
"225403"	572.10814	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+3H2O+2H"	56.04448
"1510184"	605.15069	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+IsoProp+H"	61.06479
"413882"	575.062088	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+Na+K"	61.952376
"777064"	847.105038	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+Na+K"	61.952376
"1669022"	303.019138	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Na+K"	61.952376
"253474"	1152.187568	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+ACN+Na"	64.015768
"1225898"	608.101668	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+ACN+Na"	64.015768
"1713856"	608.125193	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+NH4+HCOOH"	64.039293
"1179210"	204.351184666667	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+3Na"	68.967654
"1652374"	613.080588	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Na+HCOOH"	68.994688
"158875"	1165.09084	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+2K-H"	76.91904
"606465"	1709.17674	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+2K-H"	76.91904
"1087697"	621.00494	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2K-H"	76.91904
"148888"	583.049058	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"2M+2K"	77.926316
"589543"	855.092008	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"3M+2K"	77.926316
"1075151"	311.006108	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2K"	77.926316
"1108366"	623.019492	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2K+H"	78.933592
"1343658"	623.107107	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+DMSO+H"	79.021207
"1014375"	627.146276	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2ACN+H"	83.060376
"1531406"	628.139908	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+IsoProp+Na+H"	84.054008
"996761"	314.076776	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+2ACN+2H"	84.067652
"1596732"	629.054528	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+K+HCOOH"	84.968628
"1425673"	659.086038	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+H+CF3COOH"	115.000138
"1160333"	334.590051	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+3ACN+2H"	125.094202
"1712070"	676.112585	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+NH4+CF3COOH"	132.026685
"1646627"	681.06798	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+Na+CF3COOH"	136.98208
"1577907"	697.04192	"C18035"	"dTDP-3-methyl-4-oxo-26-dideoxy-D-glucose;dTDP-(26-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester"	"C17H26N2O14P2"	"544.0859"	"M+K+CF3COOH"	152.95602
"813744"	234.1256	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M"	0
"988005"	215.10721	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-H2O-H"	-19.01839
"75519"	155.076457333333	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M-3H"	-3.021828
"511799"	233.118324	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M-3H"	-3.021828
"893976"	77.0345906666667	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-3H"	-3.021828
"13278"	233.118324	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M-2H"	-2.014552
"449923"	350.181124	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M-2H"	-2.014552
"829910"	116.055524	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-2H"	-2.014552
"86626"	467.243924	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M-H"	-1.007276
"527275"	701.369524	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M-H"	-1.007276
"900701"	233.118324	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-H"	-1.007276
"53985"	484.270471	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M-2H+NH4"	16.019271
"491358"	718.396071	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M-2H+NH4"	16.019271
"870260"	250.144871	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-2H+NH4"	16.019271
"40349"	489.225866	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M-2H+Na"	20.974666
"482824"	723.351466	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M-2H+Na"	20.974666
"856619"	255.100266	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-2H+Na"	20.974666
"1629430"	255.100266	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Na-2H"	20.974666
"102678"	251.106663	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M-H+Cl"	33.962126
"544426"	368.169463	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M-H+Cl"	33.962126
"934657"	134.043863	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-H+Cl"	33.962126
"276495"	503.220602	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+Cl"	34.969402
"665635"	737.346202	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+Cl"	34.969402
"1276945"	269.095002	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Cl"	34.969402
"22780"	505.199806	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M-2H+K"	36.948606
"456756"	739.325406	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M-2H+K"	36.948606
"836503"	271.074206	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-2H+K"	36.948606
"1561451"	271.074206	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+K-2H"	36.948606
"945321"	279.123794	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-H+HCOOH"	44.998194
"363532"	513.249401	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+HCOOH-H"	44.998201
"348875"	527.265051	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+Hac-H"	59.013851
"1499174"	293.139451	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Hac-H"	59.013851
"962342"	301.105751	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-H+NaCOOH"	66.980151
"113069"	269.095002	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+2Cl"	69.938804
"554088"	386.157802	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+2Cl"	69.938804
"1025073"	152.032202	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2Cl"	69.938804
"1241736"	313.044485	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Br"	78.918885
"1308195"	315.100472	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Cl+HCOOH"	80.974872
"1326785"	337.082429	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Cl+NaCOOH"	102.956829
"916749"	347.111186	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M-H+CF3COOH"	112.985586
"1289808"	383.087864	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Cl+CF3COOH"	148.962264
"1367970"	199.112924	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H-2H2O"	-35.012676
"1385833"	217.1229	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H-H2O"	-17.0027
"286981"	469.258476	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+H"	1.007276
"676847"	703.384076	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+H"	1.007276
"1356487"	235.132876	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H"	1.007276
"128283"	235.132876	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+2H"	2.014552
"570031"	352.195676	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+2H"	2.014552
"1042111"	118.070076	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2H"	2.014552
"208919"	157.091009333333	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+3H"	3.021828
"647383"	235.132876	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+3H"	3.021828
"1168790"	79.0491426666667	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+3H"	3.021828
"427693"	486.285023	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+NH4"	18.033823
"794158"	720.410623	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+NH4"	18.033823
"1691583"	252.159423	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+NH4"	18.033823
"340954"	243.6461495	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+H+NH4"	19.041099
"733378"	360.7089495	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+H+NH4"	19.041099
"1483920"	126.5833495	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H+NH4"	19.041099
"400412"	491.240418	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+Na"	22.989218
"764689"	725.366018	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+Na"	22.989218
"1609506"	257.114818	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Na"	22.989218
"321730"	246.123847	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+H+Na"	23.996494
"714150"	363.186647	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+H+Na"	23.996494
"1467967"	129.061047	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H+Na"	23.996494
"1061215"	86.3764566666667	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2H+Na"	25.00377
"1263985"	267.159086	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+CH3OH+H"	33.033486
"382559"	507.214358	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+K"	38.963158
"738818"	741.339958	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+K"	38.963158
"1543430"	273.088758	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+K"	38.963158
"303883"	254.110817	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+H+K"	39.970434
"695214"	371.173617	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+H+K"	39.970434
"1450128"	137.048017	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H+K"	39.970434
"248215"	510.285026	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+ACN+H"	42.033826
"1221287"	276.159426	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+ACN+H"	42.033826
"1205173"	138.583351	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+ACN+2H"	43.041102
"199138"	513.22236	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+2Na-H"	44.97116
"636511"	747.34796	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+2Na-H"	44.97116
"1140016"	279.09676	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2Na-H"	44.97116
"181125"	257.114818	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+2Na"	45.978436
"621775"	374.177618	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+2Na"	45.978436
"1127834"	140.052018	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2Na"	45.978436
"1405524"	93.7037706666667	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H+2Na"	46.985712
"1437641"	281.138346	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H+HCOOH"	47.012746
"228430"	262.14784	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+3H2O+2H"	56.04448
"1511024"	295.19039	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+IsoProp+H"	61.06479
"413994"	265.101788	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+Na+K"	61.952376
"777174"	382.164588	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+Na+K"	61.952376
"1670226"	148.038988	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Na+K"	61.952376
"253583"	532.266968	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+ACN+Na"	64.015768
"1225928"	298.141368	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+ACN+Na"	64.015768
"1715060"	298.164893	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+NH4+HCOOH"	64.039293
"1179441"	101.031084666667	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+3Na"	68.967654
"1650424"	303.120288	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Na+HCOOH"	68.994688
"158742"	545.17024	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+2K-H"	76.91904
"606575"	779.29584	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+2K-H"	76.91904
"1091087"	311.04464	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2K-H"	76.91904
"152279"	273.088758	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"2M+2K"	77.926316
"591840"	390.151558	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"3M+2K"	77.926316
"1076354"	156.025958	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2K"	77.926316
"1106289"	313.059192	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2K+H"	78.933592
"1343767"	313.146807	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+DMSO+H"	79.021207
"1015578"	317.185976	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2ACN+H"	83.060376
"1530423"	318.179608	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+IsoProp+Na+H"	84.054008
"996870"	159.096626	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+2ACN+2H"	84.067652
"1596842"	319.094228	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+K+HCOOH"	84.968628
"1424687"	349.125738	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+H+CF3COOH"	115.000138
"1159350"	179.609901	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+3ACN+2H"	125.094202
"1711087"	366.152285	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+NH4+CF3COOH"	132.026685
"1646737"	371.10768	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+Na+CF3COOH"	136.98208
"1578017"	387.08162	"C18036"	"Strigolactone ABC-rings"	"C14H18O3"	"234.1256"	"M+K+CF3COOH"	152.95602
"816650"	330.1467	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M"	0
"989536"	311.12831	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-H2O-H"	-19.01839
"75630"	219.090524	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M-3H"	-3.021828
"515190"	329.139424	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M-3H"	-3.021828
"892991"	109.041624	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-3H"	-3.021828
"13752"	329.139424	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M-2H"	-2.014552
"447847"	494.212774	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M-2H"	-2.014552
"823461"	164.066074	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-2H"	-2.014552
"87828"	659.286124	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M-H"	-1.007276
"528481"	989.432824	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M-H"	-1.007276
"902999"	329.139424	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-H"	-1.007276
"53002"	676.312671	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M-2H+NH4"	16.019271
"491470"	1006.459371	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M-2H+NH4"	16.019271
"870371"	346.165971	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-2H+NH4"	16.019271
"37178"	681.268066	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M-2H+Na"	20.974666
"483300"	1011.414766	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M-2H+Na"	20.974666
"859642"	351.121366	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-2H+Na"	20.974666
"1629537"	351.121366	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Na-2H"	20.974666
"103881"	347.127763	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M-H+Cl"	33.962126
"540162"	512.201113	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M-H+Cl"	33.962126
"934767"	182.054413	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-H+Cl"	33.962126
"274419"	695.262802	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+Cl"	34.969402
"665745"	1025.409502	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+Cl"	34.969402
"1279244"	365.116102	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Cl"	34.969402
"20705"	697.242006	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M-2H+K"	36.948606
"462821"	1027.388706	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M-2H+K"	36.948606
"839168"	367.095306	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-2H+K"	36.948606
"1560832"	367.095306	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+K-2H"	36.948606
"945431"	375.144894	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-H+HCOOH"	44.998194
"363644"	705.291601	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+HCOOH-H"	44.998201
"347527"	719.307251	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+Hac-H"	59.013851
"1495637"	389.160551	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Hac-H"	59.013851
"963544"	397.126851	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-H+NaCOOH"	66.980151
"113178"	365.116102	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+2Cl"	69.938804
"552739"	530.189452	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+2Cl"	69.938804
"1025914"	200.042752	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2Cl"	69.938804
"1241846"	409.065585	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Br"	78.918885
"1308671"	411.121572	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Cl+HCOOH"	80.974872
"1323980"	433.103529	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Cl+NaCOOH"	102.956829
"914672"	443.132286	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M-H+CF3COOH"	112.985586
"1290647"	479.108964	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Cl+CF3COOH"	148.962264
"1368809"	295.134024	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H-2H2O"	-35.012676
"1386310"	313.144	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H-H2O"	-17.0027
"288914"	661.300676	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+H"	1.007276
"676958"	991.447376	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+H"	1.007276
"1356597"	331.153976	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H"	1.007276
"128393"	331.153976	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+2H"	2.014552
"571235"	496.227326	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+2H"	2.014552
"1044408"	166.080626	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2H"	2.014552
"210122"	221.105076	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+3H"	3.021828
"648589"	331.153976	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+3H"	3.021828
"1168902"	111.056176	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+3H"	3.021828
"431084"	678.327223	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+NH4"	18.033823
"794268"	1008.473923	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+NH4"	18.033823
"1689505"	348.180523	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+NH4"	18.033823
"337783"	339.6672495	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+H+NH4"	19.041099
"734579"	504.7405995	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+H+NH4"	19.041099
"1485121"	174.5938995	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H+NH4"	19.041099
"397239"	683.282618	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+Na"	22.989218
"759331"	1013.429318	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+Na"	22.989218
"1608522"	353.135918	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Na"	22.989218
"320746"	342.144947	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+H+Na"	23.996494
"714258"	507.218297	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+H+Na"	23.996494
"1468079"	177.071597	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H+Na"	23.996494
"1056586"	118.38349	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2H+Na"	25.00377
"1260814"	363.180186	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+CH3OH+H"	33.033486
"383763"	699.256558	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+K"	38.963158
"739291"	1029.403258	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+K"	38.963158
"1546820"	369.109858	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+K"	38.963158
"303264"	350.131917	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+H+K"	39.970434
"693501"	515.205267	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+H+K"	39.970434
"1450238"	185.058567	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H+K"	39.970434
"250146"	702.327226	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+ACN+H"	42.033826
"1221398"	372.180526	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+ACN+H"	42.033826
"1204191"	186.593901	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+ACN+2H"	43.041102
"198156"	705.26456	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+2Na-H"	44.97116
"635528"	1035.41126	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+2Na-H"	44.97116
"1142313"	375.11786	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2Na-H"	44.97116
"183057"	353.135918	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+2Na"	45.978436
"619698"	518.209268	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+2Na"	45.978436
"1128309"	188.062568	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2Na"	45.978436
"1402718"	125.710804	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H+2Na"	46.985712
"1439937"	377.159446	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H+HCOOH"	47.012746
"229634"	358.16894	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+3H2O+2H"	56.04448
"1514418"	391.21149	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+IsoProp+H"	61.06479
"416290"	361.122888	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+Na+K"	61.952376
"775098"	526.196238	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+Na+K"	61.952376
"1669242"	196.049538	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Na+K"	61.952376
"252964"	724.309168	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+ACN+Na"	64.015768
"1225796"	394.162468	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+ACN+Na"	64.015768
"1715170"	394.185993	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+NH4+HCOOH"	64.039293
"1178897"	133.038118	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+3Na"	68.967654
"1651142"	399.141388	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Na+HCOOH"	68.994688
"159825"	737.21244	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+2K-H"	76.91904
"601217"	1067.35914	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+2K-H"	76.91904
"1087550"	407.06574	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2K-H"	76.91904
"152389"	369.109858	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"2M+2K"	77.926316
"593043"	534.183208	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"3M+2K"	77.926316
"1080839"	204.036508	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2K"	77.926316
"1110772"	409.080292	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2K+H"	78.933592
"1344970"	409.167907	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+DMSO+H"	79.021207
"1015688"	413.207076	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2ACN+H"	83.060376
"1530533"	414.200708	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+IsoProp+Na+H"	84.054008
"998074"	207.107176	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+2ACN+2H"	84.067652
"1599140"	415.115328	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+K+HCOOH"	84.968628
"1426984"	445.146838	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+H+CF3COOH"	115.000138
"1159460"	227.620451	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+3ACN+2H"	125.094202
"1711197"	462.173385	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+NH4+CF3COOH"	132.026685
"1646847"	467.12878	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+Na+CF3COOH"	136.98208
"1578127"	483.10272	"C18037"	"5-Deoxystrigol"	"C19H22O5"	"330.1467"	"M+K+CF3COOH"	152.95602
"815424"	332.2351	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M"	0
"988591"	313.21671	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"73553"	220.482790666667	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"512021"	331.227824	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"890915"	109.737757333333	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"12767"	331.227824	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"447958"	497.345374	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"824666"	165.110274	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"86846"	663.462924	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"524217"	995.698024	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"899829"	331.227824	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"49832"	680.489471	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"490487"	1012.724571	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"870482"	348.254371	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"38381"	685.444866	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"481222"	1017.679966	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"859022"	353.209766	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1628554"	353.209766	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"102897"	349.216163	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"541361"	515.333713	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"930501"	183.098613	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"274527"	699.439602	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"665855"	1031.674702	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1277896"	367.204502	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"18628"	701.418806	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"462567"	1033.653906	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"841464"	369.183706	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1561672"	369.183706	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"947729"	377.233294	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"367401"	709.468401	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"349827"	723.484051	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1495747"	391.248951	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"960371"	399.215251	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"110492"	367.204502	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"550336"	533.322052	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1024565"	201.086952	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1242562"	411.153985	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1305861"	413.209972	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1329193"	435.191929	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"917334"	445.220686	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1291121"	481.197364	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1368675"	297.222424	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1386056"	315.2324	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"290116"	665.477476	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"680350"	997.712576	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1356707"	333.242376	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"128503"	333.242376	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"574625"	499.359926	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1046705"	167.124826	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"214606"	222.497342666667	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"650885"	333.242376	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1170105"	111.752309333333	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"431192"	682.504023	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"793285"	1014.739123	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1691802"	350.268923	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"337893"	341.7556495	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"733596"	507.8731995	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1484139"	175.6380995	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"398444"	687.459418	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"759442"	1019.694518	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1613006"	355.224318	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"318670"	344.233347	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"713275"	510.350897	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1468189"	178.115797	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1055603"	119.079623333333	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1259831"	365.268586	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"384967"	703.433358	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"740856"	1035.668458	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1540481"	371.198258	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"301176"	352.220317	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"693596"	518.337867	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1448148"	186.102767	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"237115"	706.504026	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1210562"	374.268926	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1198093"	187.638101	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"191700"	709.44136	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"631627"	1041.67646	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1139143"	377.20626	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"184622"	355.224318	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"619808"	521.341868	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1126597"	189.106768	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1405744"	126.406937333333	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1438954"	379.247846	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"229744"	360.25734	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1516714"	393.29989	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"419681"	363.211288	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"778489"	529.328838	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1673727"	197.093738	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"254778"	728.485968	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1228217"	396.250868	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1714551"	396.274393	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1178534"	133.734251333333	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1651619"	401.229788	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"158841"	741.38924	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"603514"	1073.62434	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1085839"	409.15414	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"152135"	371.198258	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"592060"	537.315808	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1079492"	205.080708	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1109788"	411.168692	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1342893"	411.256307	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1014704"	415.295476	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1530643"	416.289108	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"992716"	208.151376	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1599250"	417.203728	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1427094"	447.235238	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1160663"	228.664651	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1711307"	464.261785	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1645864"	469.21718	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1578237"	485.19112	"C18038"	"7alpha-Hydroxypregnenolone;3beta7alpha-Dihydroxy-5-pregnen-20-one"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"816262"	360.1937	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M"	0
"988580"	341.17531	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-H2O-H"	-19.01839
"75850"	239.121857333333	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M-3H"	-3.021828
"513224"	359.186424	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M-3H"	-3.021828
"893210"	119.057290666667	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-3H"	-3.021828
"12877"	359.186424	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M-2H"	-2.014552
"451348"	539.283274	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M-2H"	-2.014552
"825869"	179.089574	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-2H"	-2.014552
"86955"	719.380124	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M-H"	-1.007276
"524327"	1079.573824	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M-H"	-1.007276
"899939"	359.186424	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-H"	-1.007276
"53222"	736.406671	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M-2H+NH4"	16.019271
"493877"	1096.600371	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M-2H+NH4"	16.019271
"869864"	376.212971	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-2H+NH4"	16.019271
"41773"	741.362066	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M-2H+Na"	20.974666
"481332"	1101.555766	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M-2H+Na"	20.974666
"855853"	381.168366	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-2H+Na"	20.974666
"1626479"	381.168366	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Na-2H"	20.974666
"103007"	377.174763	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M-H+Cl"	33.962126
"542565"	557.271613	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M-H+Cl"	33.962126
"936078"	197.077913	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-H+Cl"	33.962126
"275730"	755.356802	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+Cl"	34.969402
"667059"	1115.550502	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+Cl"	34.969402
"1278007"	395.163102	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Cl"	34.969402
"23112"	757.336006	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M-2H+K"	36.948606
"464868"	1117.529706	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M-2H+K"	36.948606
"840481"	397.142306	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-2H+K"	36.948606
"1562508"	397.142306	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+K-2H"	36.948606
"949661"	405.191894	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-H+HCOOH"	44.998194
"371157"	765.385601	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+HCOOH-H"	44.998201
"353218"	779.401251	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+Hac-H"	59.013851
"1496226"	419.207551	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Hac-H"	59.013851
"963766"	427.173851	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-H+NaCOOH"	66.980151
"113399"	395.163102	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+2Cl"	69.938804
"551865"	575.259952	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+2Cl"	69.938804
"1026136"	215.066252	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2Cl"	69.938804
"1246078"	439.112585	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Br"	78.918885
"1310714"	441.168572	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Cl+HCOOH"	80.974872
"1326752"	463.150529	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Cl+NaCOOH"	102.956829
"919268"	473.179286	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M-H+CF3COOH"	112.985586
"1291232"	509.155964	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Cl+CF3COOH"	148.962264
"1370123"	325.181024	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H-2H2O"	-35.012676
"1383974"	343.191	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H-H2O"	-17.0027
"286945"	721.394676	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+H"	1.007276
"681554"	1081.588376	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+H"	1.007276
"1361192"	361.200976	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H"	1.007276
"131893"	361.200976	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+2H"	2.014552
"580202"	541.297826	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+2H"	2.014552
"1051189"	181.104126	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2H"	2.014552
"212528"	241.136409333333	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+3H"	3.021828
"653179"	361.200976	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+3H"	3.021828
"1174589"	121.071842666667	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+3H"	3.021828
"430209"	738.421223	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+NH4"	18.033823
"799956"	1098.614923	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+NH4"	18.033823
"1690819"	378.227523	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+NH4"	18.033823
"336910"	369.7142495	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+H+NH4"	19.041099
"737351"	549.8110995	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+H+NH4"	19.041099
"1487530"	189.6173995	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H+NH4"	19.041099
"399648"	743.376618	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+Na"	22.989218
"760645"	1103.570318	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+Na"	22.989218
"1613116"	383.182918	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Na"	22.989218
"322060"	372.191947	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+H+Na"	23.996494
"713387"	552.288797	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+H+Na"	23.996494
"1469392"	192.095097	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H+Na"	23.996494
"1058264"	128.399156666667	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2H+Na"	25.00377
"1263222"	393.227186	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+CH3OH+H"	33.033486
"385076"	759.350558	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+K"	38.963158
"740966"	1119.544258	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+K"	38.963158
"1540837"	399.156858	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+K"	38.963158
"300558"	380.178917	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+H+K"	39.970434
"693345"	560.275767	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+H+K"	39.970434
"1447894"	200.082067	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H+K"	39.970434
"237589"	762.421226	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+ACN+H"	42.033826
"1213955"	402.227526	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+ACN+H"	42.033826
"1197110"	201.617401	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+ACN+2H"	43.041102
"192174"	765.35856	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+2Na-H"	44.97116
"634653"	1125.55226	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+2Na-H"	44.97116
"1138160"	405.16486	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2Na-H"	44.97116
"183639"	383.182918	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+2Na"	45.978436
"618825"	563.279768	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+2Na"	45.978436
"1127801"	203.086068	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2Na"	45.978436
"1405854"	135.726470666667	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H+2Na"	46.985712
"1441251"	407.206446	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H+HCOOH"	47.012746
"226573"	388.21594	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+3H2O+2H"	56.04448
"1519012"	421.25849	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+IsoProp+H"	61.06479
"421614"	391.169888	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+Na+K"	61.952376
"784067"	571.266738	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+Na+K"	61.952376
"1678209"	211.073038	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Na+K"	61.952376
"255982"	784.403168	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+ACN+Na"	64.015768
"1231970"	424.209468	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+ACN+Na"	64.015768
"1718670"	424.232993	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+NH4+HCOOH"	64.039293
"1185117"	143.053784666667	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+3Na"	68.967654
"1655009"	429.188388	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Na+HCOOH"	68.994688
"164057"	797.30644	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+2K-H"	76.91904
"608728"	1157.50014	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+2K-H"	76.91904
"1094697"	437.11274	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2K-H"	76.91904
"150789"	399.156858	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"2M+2K"	77.926316
"590713"	579.253708	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"3M+2K"	77.926316
"1074865"	219.060008	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2K"	77.926316
"1103338"	439.127292	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2K+H"	78.933592
"1339721"	439.214907	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+DMSO+H"	79.021207
"1011532"	443.254076	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2ACN+H"	83.060376
"1527474"	444.247708	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+IsoProp+Na+H"	84.054008
"996108"	222.130676	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+2ACN+2H"	84.067652
"1600089"	445.162328	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+K+HCOOH"	84.968628
"1426840"	475.193838	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+H+CF3COOH"	115.000138
"1159680"	242.643951	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+3ACN+2H"	125.094202
"1705950"	492.220385	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+NH4+CF3COOH"	132.026685
"1645974"	497.17578	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+Na+CF3COOH"	136.98208
"1578347"	513.14972	"C18039"	"Aldosterone hemiacetal;11beta18-Epoxy-1821-dihydroxypregn-4-ene-320-dione"	"C21H28O5"	"360.1937"	"M+K+CF3COOH"	152.95602
"814913"	332.2351	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M"	0
"988809"	313.21671	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-H2O-H"	-19.01839
"77053"	220.482790666667	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M-3H"	-3.021828
"515521"	331.227824	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M-3H"	-3.021828
"891133"	109.737757333333	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-3H"	-3.021828
"12987"	331.227824	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M-2H"	-2.014552
"451457"	497.345374	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M-2H"	-2.014552
"827072"	165.110274	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-2H"	-2.014552
"88158"	663.462924	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M-H"	-1.007276
"528447"	995.698024	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M-H"	-1.007276
"904424"	331.227824	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-H"	-1.007276
"54425"	680.489471	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+NH4"	16.019271
"495080"	1012.724571	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+NH4"	16.019271
"873980"	348.254371	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-2H+NH4"	16.019271
"44069"	685.444866	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+Na"	20.974666
"484721"	1017.679966	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+Na"	20.974666
"860334"	353.209766	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-2H+Na"	20.974666
"1629503"	353.209766	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Na-2H"	20.974666
"103114"	349.216163	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M-H+Cl"	33.962126
"541581"	515.333713	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M-H+Cl"	33.962126
"935095"	183.098613	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-H+Cl"	33.962126
"274747"	699.439602	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+Cl"	34.969402
"667169"	1031.674702	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+Cl"	34.969402
"1281032"	367.204502	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Cl"	34.969402
"22494"	701.418806	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M-2H+K"	36.948606
"467164"	1033.653906	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M-2H+K"	36.948606
"843872"	369.183706	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-2H+K"	36.948606
"1562985"	369.183706	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+K-2H"	36.948606
"951229"	377.233294	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-H+HCOOH"	44.998194
"371267"	709.468401	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+HCOOH-H"	44.998201
"353328"	723.484051	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+Hac-H"	59.013851
"1496333"	391.248951	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Hac-H"	59.013851
"959497"	399.215251	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-H+NaCOOH"	66.980151
"113144"	367.204502	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+2Cl"	69.938804
"551975"	533.322052	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+2Cl"	69.938804
"1025514"	201.086952	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2Cl"	69.938804
"1243999"	411.153985	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Br"	78.918885
"1306814"	413.209972	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+HCOOH"	80.974872
"1324310"	435.191929	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+NaCOOH"	102.956829
"917190"	445.220686	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M-H+CF3COOH"	112.985586
"1290250"	481.197364	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Cl+CF3COOH"	148.962264
"1369869"	297.222424	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H-2H2O"	-35.012676
"1382988"	315.2324	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H-H2O"	-17.0027
"285231"	665.477476	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+H"	1.007276
"677290"	997.712576	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+H"	1.007276
"1361299"	333.242376	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H"	1.007276
"136377"	333.242376	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+2H"	2.014552
"580922"	499.359926	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+2H"	2.014552
"1052762"	167.124826	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2H"	2.014552
"213731"	222.497342666667	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+3H"	3.021828
"655475"	333.242376	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+3H"	3.021828
"1175790"	111.752309333333	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+3H"	3.021828
"430319"	682.504023	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+NH4"	18.033823
"799338"	1014.739123	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+NH4"	18.033823
"1694211"	350.268923	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+NH4"	18.033823
"342853"	341.7556495	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+H+NH4"	19.041099
"738493"	507.8731995	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+H+NH4"	19.041099
"1490192"	175.6380995	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H+NH4"	19.041099
"400853"	687.459418	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+Na"	22.989218
"761848"	1019.694518	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+Na"	22.989218
"1611039"	355.224318	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Na"	22.989218
"322170"	344.233347	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+H+Na"	23.996494
"715684"	510.350897	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+H+Na"	23.996494
"1469502"	178.115797	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H+Na"	23.996494
"1058374"	119.079623333333	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2H+Na"	25.00377
"1264427"	365.268586	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+CH3OH+H"	33.033486
"388466"	703.433358	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+K"	38.963158
"743991"	1035.668458	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+K"	38.963158
"1542769"	371.198258	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+K"	38.963158
"300304"	352.220317	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+H+K"	39.970434
"693822"	518.337867	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+H+K"	39.970434
"1447641"	186.102767	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H+K"	39.970434
"238062"	706.504026	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+ACN+H"	42.033826
"1212971"	374.268926	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+H"	42.033826
"1201230"	187.638101	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+2H"	43.041102
"193738"	709.44136	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+2Na-H"	44.97116
"631476"	1041.67646	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+2Na-H"	44.97116
"1138992"	377.20626	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2Na-H"	44.97116
"177544"	355.224318	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+2Na"	45.978436
"622215"	521.341868	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+2Na"	45.978436
"1129976"	189.106768	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2Na"	45.978436
"1411433"	126.406937333333	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H+2Na"	46.985712
"1444158"	379.247846	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H+HCOOH"	47.012746
"228870"	360.25734	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+3H2O+2H"	56.04448
"1520216"	393.29989	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+IsoProp+H"	61.06479
"421725"	363.211288	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+Na+K"	61.952376
"780898"	529.328838	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+Na+K"	61.952376
"1675040"	197.093738	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Na+K"	61.952376
"257185"	728.485968	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+ACN+Na"	64.015768
"1229893"	396.250868	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+ACN+Na"	64.015768
"1717687"	396.274393	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+NH4+HCOOH"	64.039293
"1184134"	133.734251333333	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+3Na"	68.967654
"1656211"	401.229788	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Na+HCOOH"	68.994688
"165260"	741.38924	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+2K-H"	76.91904
"598139"	1073.62434	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+2K-H"	76.91904
"1091527"	409.15414	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2K-H"	76.91904
"153086"	371.198258	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"2M+2K"	77.926316
"589001"	537.315808	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"3M+2K"	77.926316
"1076433"	205.080708	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2K"	77.926316
"1105635"	411.168692	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2K+H"	78.933592
"1340924"	411.256307	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+DMSO+H"	79.021207
"1013829"	415.295476	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2ACN+H"	83.060376
"1535239"	416.289108	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+IsoProp+Na+H"	84.054008
"998406"	208.151376	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+2ACN+2H"	84.067652
"1595094"	417.203728	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+K+HCOOH"	84.968628
"1426221"	447.235238	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+H+CF3COOH"	115.000138
"1157602"	228.664651	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+3ACN+2H"	125.094202
"1706060"	464.261785	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+NH4+CF3COOH"	132.026685
"1646084"	469.21718	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+Na+CF3COOH"	136.98208
"1578457"	485.19112	"C18040"	"5alpha-Dihydrodeoxycorticosterone;5alpha-Pregnan-21-ol-320-dione;Allopregnane-21-ol-320-dione"	"C21H32O3"	"332.2351"	"M+K+CF3COOH"	152.95602
"811013"	318.2559	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M"	0
"988797"	299.23751	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-H2O-H"	-19.01839
"71693"	211.163324	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M-3H"	-3.021828
"514536"	317.248624	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M-3H"	-3.021828
"886868"	105.078024	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-3H"	-3.021828
"10910"	317.248624	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M-2H"	-2.014552
"452660"	476.376574	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M-2H"	-2.014552
"829367"	158.120674	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-2H"	-2.014552
"89360"	635.504524	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M-H"	-1.007276
"527825"	953.760424	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M-H"	-1.007276
"900159"	317.248624	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-H"	-1.007276
"52348"	652.531071	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M-2H+NH4"	16.019271
"493003"	970.786971	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M-2H+NH4"	16.019271
"875183"	334.275171	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-2H+NH4"	16.019271
"43084"	657.486466	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M-2H+Na"	20.974666
"485925"	975.742366	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M-2H+Na"	20.974666
"862631"	339.230566	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-2H+Na"	20.974666
"1633258"	339.230566	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Na-2H"	20.974666
"108692"	335.236963	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M-H+Cl"	33.962126
"541691"	494.364913	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M-H+Cl"	33.962126
"935205"	176.109013	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-H+Cl"	33.962126
"268780"	671.481202	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+Cl"	34.969402
"666186"	989.737102	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+Cl"	34.969402
"1280778"	353.225302	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Cl"	34.969402
"24425"	673.460406	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M-2H+K"	36.948606
"468367"	991.716306	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M-2H+K"	36.948606
"843983"	355.204506	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-2H+K"	36.948606
"1564189"	355.204506	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+K-2H"	36.948606
"949883"	363.254094	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-H+HCOOH"	44.998194
"367004"	681.510001	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+HCOOH-H"	44.998201
"351980"	695.525651	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+Hac-H"	59.013851
"1493645"	377.269751	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Hac-H"	59.013851
"959122"	385.236051	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-H+NaCOOH"	66.980151
"110374"	353.225302	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+2Cl"	69.938804
"550261"	512.353252	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+2Cl"	69.938804
"1023436"	194.097352	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2Cl"	69.938804
"1243015"	397.174785	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Br"	78.918885
"1304189"	399.230772	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Cl+HCOOH"	80.974872
"1319997"	421.212729	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Cl+NaCOOH"	102.956829
"916207"	431.241486	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M-H+CF3COOH"	112.985586
"1292913"	467.218164	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Cl+CF3COOH"	148.962264
"1369615"	283.243224	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H-2H2O"	-35.012676
"1383832"	301.2532	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H-H2O"	-17.0027
"282950"	637.519076	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+H"	1.007276
"675980"	955.774976	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+H"	1.007276
"1360316"	319.263176	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H"	1.007276
"136487"	319.263176	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+2H"	2.014552
"578966"	478.391126	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+2H"	2.014552
"1051654"	160.135226	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2H"	2.014552
"212748"	213.177876	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+3H"	3.021828
"652306"	319.263176	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+3H"	3.021828
"1173713"	107.092576	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+3H"	3.021828
"430429"	654.545623	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+NH4"	18.033823
"792520"	972.801523	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+NH4"	18.033823
"1695051"	336.289723	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+NH4"	18.033823
"340411"	327.7764495	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+H+NH4"	19.041099
"736842"	486.9043995	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+H+NH4"	19.041099
"1488842"	168.6484995	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H+NH4"	19.041099
"398777"	659.501018	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+Na"	22.989218
"758679"	977.756918	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+Na"	22.989218
"1612242"	341.245118	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Na"	22.989218
"321187"	330.254147	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+H+Na"	23.996494
"714701"	489.382097	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+H+Na"	23.996494
"1466334"	171.126197	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H+Na"	23.996494
"1058485"	114.41989	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2H+Na"	25.00377
"1264538"	351.289386	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+CH3OH+H"	33.033486
"388576"	675.474958	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+K"	38.963158
"742643"	993.730858	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+K"	38.963158
"1542879"	357.219058	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+K"	38.963158
"301874"	338.241117	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+H+K"	39.970434
"693931"	497.369067	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+H+K"	39.970434
"1448478"	179.113167	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H+K"	39.970434
"238901"	678.545626	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+ACN+H"	42.033826
"1211989"	360.289726	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+ACN+H"	42.033826
"1196602"	180.648501	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+ACN+2H"	43.041102
"191661"	681.48296	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+2Na-H"	44.97116
"631221"	999.73886	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+2Na-H"	44.97116
"1136915"	363.22706	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2Na-H"	44.97116
"176196"	341.245118	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+2Na"	45.978436
"619045"	500.373068	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+2Na"	45.978436
"1130693"	182.117168	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2Na"	45.978436
"1411542"	121.747204	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H+2Na"	46.985712
"1438191"	365.268646	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H+HCOOH"	47.012746
"228980"	346.27814	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+3H2O+2H"	56.04448
"1522877"	379.32069	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+IsoProp+H"	61.06479
"423294"	349.232088	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+Na+K"	61.952376
"778821"	508.360038	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+Na+K"	61.952376
"1674057"	190.104138	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Na+K"	61.952376
"256566"	700.527568	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+ACN+Na"	64.015768
"1237657"	382.271668	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+ACN+Na"	64.015768
"1715973"	382.295193	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+NH4+HCOOH"	64.039293
"1182057"	129.074518	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+3Na"	68.967654
"1651948"	387.250588	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Na+HCOOH"	68.994688
"165370"	713.43084	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+2K-H"	76.91904
"599461"	1031.68674	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+2K-H"	76.91904
"1085799"	395.17494	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2K-H"	76.91904
"144805"	357.219058	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"2M+2K"	77.926316
"589111"	516.347008	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"3M+2K"	77.926316
"1076907"	198.091108	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2K"	77.926316
"1110116"	397.189492	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2K+H"	78.933592
"1338847"	397.277107	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+DMSO+H"	79.021207
"1012844"	401.316276	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2ACN+H"	83.060376
"1536442"	402.309908	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+IsoProp+Na+H"	84.054008
"1001795"	201.161776	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+2ACN+2H"	84.067652
"1594111"	403.224528	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+K+HCOOH"	84.968628
"1425238"	433.256038	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+H+CF3COOH"	115.000138
"1157712"	221.675051	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+3ACN+2H"	125.094202
"1706170"	450.282585	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+NH4+CF3COOH"	132.026685
"1647287"	455.23798	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+Na+CF3COOH"	136.98208
"1578567"	471.21192	"C18041"	"5alpha-Pregnan-20alpha-ol-3-one;Allopregnan-20alpha-ol-3-one"	"C21H34O2"	"318.2559"	"M+K+CF3COOH"	152.95602
"814403"	320.2715	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M"	0
"985748"	301.25311	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-H2O-H"	-19.01839
"75084"	212.507057333333	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M-3H"	-3.021828
"517320"	319.264224	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M-3H"	-3.021828
"889164"	105.749890666667	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-3H"	-3.021828
"9927"	319.264224	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M-2H"	-2.014552
"448395"	479.399974	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M-2H"	-2.014552
"825103"	159.128474	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-2H"	-2.014552
"85094"	639.535724	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M-H"	-1.007276
"523560"	959.807224	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M-H"	-1.007276
"898080"	319.264224	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-H"	-1.007276
"52458"	656.562271	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M-2H+NH4"	16.019271
"496395"	976.833771	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M-2H+NH4"	16.019271
"877968"	336.290771	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-2H+NH4"	16.019271
"42104"	661.517666	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M-2H+Na"	20.974666
"484576"	981.789166	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M-2H+Na"	20.974666
"863109"	341.246166	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-2H+Na"	20.974666
"1630088"	341.246166	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Na-2H"	20.974666
"105158"	337.252563	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M-H+Cl"	33.962126
"535969"	497.388313	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M-H+Cl"	33.962126
"929483"	177.116813	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-H+Cl"	33.962126
"267552"	675.512402	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+Cl"	34.969402
"663016"	995.783902	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+Cl"	34.969402
"1277604"	355.240902	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Cl"	34.969402
"17608"	677.491606	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M-2H+K"	36.948606
"461912"	997.763106	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M-2H+K"	36.948606
"844458"	357.220106	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-2H+K"	36.948606
"1569402"	357.220106	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+K-2H"	36.948606
"951086"	365.269694	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-H+HCOOH"	44.998194
"369301"	685.541201	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+HCOOH-H"	44.998201
"352090"	699.556851	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+Hac-H"	59.013851
"1494732"	379.285351	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Hac-H"	59.013851
"961909"	387.251651	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-H+NaCOOH"	66.980151
"110568"	355.240902	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+2Cl"	69.938804
"550013"	515.376652	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+2Cl"	69.938804
"1024643"	195.105152	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2Cl"	69.938804
"1244584"	399.190385	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Br"	78.918885
"1305330"	401.246372	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Cl+HCOOH"	80.974872
"1325259"	423.228329	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Cl+NaCOOH"	102.956829
"918504"	433.257086	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M-H+CF3COOH"	112.985586
"1295210"	469.233764	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Cl+CF3COOH"	148.962264
"1370454"	285.258824	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H-2H2O"	-35.012676
"1383942"	303.2688	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H-H2O"	-17.0027
"283181"	641.550276	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+H"	1.007276
"677874"	961.821776	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+H"	1.007276
"1360427"	321.278776	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H"	1.007276
"136597"	321.278776	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+2H"	2.014552
"576159"	481.414526	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+2H"	2.014552
"1052007"	161.143026	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2H"	2.014552
"213952"	214.521609333333	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+3H"	3.021828
"653145"	321.278776	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+3H"	3.021828
"1170543"	107.764442666667	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+3H"	3.021828
"431633"	658.576823	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+NH4"	18.033823
"797003"	978.848323	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+NH4"	18.033823
"1695769"	338.305323	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+NH4"	18.033823
"343437"	329.7920495	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+H+NH4"	19.041099
"735860"	489.9277995	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+H+NH4"	19.041099
"1491747"	169.6562995	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H+NH4"	19.041099
"397794"	663.532218	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+Na"	22.989218
"758789"	983.803718	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+Na"	22.989218
"1612353"	343.260718	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Na"	22.989218
"319110"	332.269747	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+H+Na"	23.996494
"712624"	492.405497	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+H+Na"	23.996494
"1466807"	172.133997	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H+Na"	23.996494
"1059688"	115.091756666667	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2H+Na"	25.00377
"1264648"	353.304986	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+CH3OH+H"	33.033486
"388686"	679.506158	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+K"	38.963158
"748588"	999.777658	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+K"	38.963158
"1544078"	359.234658	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+K"	38.963158
"303442"	340.256717	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+H+K"	39.970434
"692580"	500.392467	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+H+K"	39.970434
"1448954"	180.120967	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H+K"	39.970434
"240471"	682.576826	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+ACN+H"	42.033826
"1210273"	362.305326	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+ACN+H"	42.033826
"1195254"	181.656301	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+ACN+2H"	43.041102
"191771"	685.51416	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+2Na-H"	44.97116
"630239"	1005.78566	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+2Na-H"	44.97116
"1134838"	365.24266	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2Na-H"	44.97116
"176306"	343.260718	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+2Na"	45.978436
"625716"	503.396468	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+2Na"	45.978436
"1130441"	183.124968	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2Na"	45.978436
"1411652"	122.419070666667	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H+2Na"	46.985712
"1444500"	367.284246	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H+HCOOH"	47.012746
"229091"	348.29374	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+3H2O+2H"	56.04448
"1518248"	381.33629	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+H"	61.06479
"416841"	351.247688	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+Na+K"	61.952376
"780023"	511.383438	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+Na+K"	61.952376
"1673074"	191.111938	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Na+K"	61.952376
"259593"	704.558768	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+ACN+Na"	64.015768
"1230113"	384.287268	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+ACN+Na"	64.015768
"1716812"	384.310793	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+NH4+HCOOH"	64.039293
"1181074"	129.746384666667	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+3Na"	68.967654
"1654245"	389.266188	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Na+HCOOH"	68.994688
"163293"	717.46204	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+2K-H"	76.91904
"599572"	1037.73354	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+2K-H"	76.91904
"1087368"	397.19054	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2K-H"	76.91904
"143823"	359.234658	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"2M+2K"	77.926316
"589221"	519.370408	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"3M+2K"	77.926316
"1080298"	199.098908	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2K"	77.926316
"1112414"	399.205092	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2K+H"	78.933592
"1342238"	399.292707	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+DMSO+H"	79.021207
"1016234"	403.331876	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2ACN+H"	83.060376
"1537281"	404.325508	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+IsoProp+Na+H"	84.054008
"1004699"	202.169576	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+2ACN+2H"	84.067652
"1595314"	405.240128	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+K+HCOOH"	84.968628
"1426441"	435.271638	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+H+CF3COOH"	115.000138
"1157822"	222.682851	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+3ACN+2H"	125.094202
"1706280"	452.298185	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+NH4+CF3COOH"	132.026685
"1647397"	457.25358	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+Na+CF3COOH"	136.98208
"1578677"	473.22752	"C18042"	"5alpha-Pregnane-3alpha20alpha-diol;Allopregnane-3alpha20alpha-diol"	"C21H36O2"	"320.2715"	"M+K+CF3COOH"	152.95602
"809045"	466.3117	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M"	0
"979297"	447.29331	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-H2O-H"	-19.01839
"75193"	309.867190666667	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M-3H"	-3.021828
"514754"	465.304424	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M-3H"	-3.021828
"885993"	154.429957333333	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-3H"	-3.021828
"7849"	465.304424	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M-2H"	-2.014552
"443035"	698.460274	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M-2H"	-2.014552
"821930"	232.148574	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-2H"	-2.014552
"82288"	931.616124	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M-H"	-1.007276
"522576"	1397.927824	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M-H"	-1.007276
"895834"	465.304424	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-H"	-1.007276
"52568"	948.642671	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M-2H+NH4"	16.019271
"497598"	1414.954371	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M-2H+NH4"	16.019271
"875404"	482.330971	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-2H+NH4"	16.019271
"44279"	953.598066	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M-2H+Na"	20.974666
"484929"	1419.909766	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M-2H+Na"	20.974666
"862125"	487.286366	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-2H+Na"	20.974666
"1630198"	487.286366	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Na-2H"	20.974666
"105632"	483.292763	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M-H+Cl"	33.962126
"535715"	716.448613	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M-H+Cl"	33.962126
"927648"	250.136913	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-H+Cl"	33.962126
"267124"	967.592802	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+Cl"	34.969402
"663124"	1433.904502	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+Cl"	34.969402
"1274068"	501.281102	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Cl"	34.969402
"18812"	969.572006	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M-2H+K"	36.948606
"460928"	1435.883706	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M-2H+K"	36.948606
"847480"	503.260306	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-2H+K"	36.948606
"1565501"	503.260306	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+K-2H"	36.948606
"946823"	511.309894	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-H+HCOOH"	44.998194
"366130"	977.621601	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+HCOOH-H"	44.998201
"348921"	991.637251	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+Hac-H"	59.013851
"1493381"	525.325551	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Hac-H"	59.013851
"960197"	533.291851	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-H+NaCOOH"	66.980151
"110922"	501.281102	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+2Cl"	69.938804
"550603"	734.436952	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+2Cl"	69.938804
"1024747"	268.125252	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2Cl"	69.938804
"1244692"	545.230585	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Br"	78.918885
"1311151"	547.286572	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Cl+HCOOH"	80.974872
"1330835"	569.268529	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Cl+NaCOOH"	102.956829
"915333"	579.297286	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M-H+CF3COOH"	112.985586
"1297507"	615.273964	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Cl+CF3COOH"	148.962264
"1371293"	431.299024	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H-2H2O"	-35.012676
"1384780"	449.309	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H-H2O"	-17.0027
"284095"	933.630676	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+H"	1.007276
"676519"	1399.942376	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+H"	1.007276
"1353971"	467.318976	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H"	1.007276
"135614"	467.318976	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+2H"	2.014552
"575176"	700.474826	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+2H"	2.014552
"1046162"	234.163126	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2H"	2.014552
"216248"	311.881742666667	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+3H"	3.021828
"651432"	467.318976	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+3H"	3.021828
"1170653"	156.444509333333	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+3H"	3.021828
"432835"	950.657223	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+NH4"	18.033823
"796749"	1416.968923	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+NH4"	18.033823
"1696122"	484.345523	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+NH4"	18.033823
"344769"	475.8322495	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+H+NH4"	19.041099
"734877"	708.9880995	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+H+NH4"	19.041099
"1491372"	242.6763995	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H+NH4"	19.041099
"400090"	955.612618	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+Na"	22.989218
"759993"	1421.924318	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+Na"	22.989218
"1611369"	489.300918	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Na"	22.989218
"320314"	478.309947	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+H+Na"	23.996494
"710544"	711.465797	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+H+Na"	23.996494
"1466552"	245.154097	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H+Na"	23.996494
"1057610"	163.771823333333	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2H+Na"	25.00377
"1264757"	499.345186	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+CH3OH+H"	33.033486
"388798"	971.586558	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+K"	38.963158
"747603"	1437.898258	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+K"	38.963158
"1544189"	505.274858	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+K"	38.963158
"302459"	486.296917	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+H+K"	39.970434
"695972"	719.452767	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+H+K"	39.970434
"1449793"	253.141067	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H+K"	39.970434
"240581"	974.657226	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+ACN+H"	42.033826
"1211112"	508.345526	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+ACN+H"	42.033826
"1195364"	254.676401	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+ACN+2H"	43.041102
"195528"	977.59456	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+2Na-H"	44.97116
"633629"	1443.90626	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+2Na-H"	44.97116
"1138595"	511.28286	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2Na-H"	44.97116
"175322"	489.300918	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+2Na"	45.978436
"625826"	722.456768	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+2Na"	45.978436
"1130309"	256.145068	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2Na"	45.978436
"1411641"	171.099137333333	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H+2Na"	46.985712
"1443516"	513.324446	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H+HCOOH"	47.012746
"228108"	494.33394	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+3H2O+2H"	56.04448
"1516171"	527.37649	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+IsoProp+H"	61.06479
"414035"	497.287888	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+Na+K"	61.952376
"778675"	730.443738	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+Na+K"	61.952376
"1675370"	264.132038	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Na+K"	61.952376
"259704"	996.639168	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+ACN+Na"	64.015768
"1230588"	530.327468	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+ACN+Na"	64.015768
"1715829"	530.350993	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+NH4+HCOOH"	64.039293
"1185557"	178.426451333333	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+3Na"	68.967654
"1655449"	535.306388	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Na+HCOOH"	68.994688
"165590"	1009.54244	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+2K-H"	76.91904
"598954"	1475.85414	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+2K-H"	76.91904
"1084397"	543.23074	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2K-H"	76.91904
"144297"	505.274858	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"2M+2K"	77.926316
"589331"	738.430708	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"3M+2K"	77.926316
"1079315"	272.119008	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2K"	77.926316
"1110337"	545.245292	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2K+H"	78.933592
"1342348"	545.332907	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+DMSO+H"	79.021207
"1014157"	549.372076	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2ACN+H"	83.060376
"1539092"	550.365708	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+IsoProp+Na+H"	84.054008
"1004930"	275.189676	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+2ACN+2H"	84.067652
"1597611"	551.280328	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+K+HCOOH"	84.968628
"1426551"	581.311838	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+H+CF3COOH"	115.000138
"1157932"	295.702951	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+3ACN+2H"	125.094202
"1709670"	598.338385	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+NH4+CF3COOH"	132.026685
"1647507"	603.29378	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+Na+CF3COOH"	136.98208
"1578787"	619.26772	"C18043"	"Cholesterol sulfate;Cholest-5-en-3beta-ol sulfate"	"C27H46O4S"	"466.3117"	"M+K+CF3COOH"	152.95602
"802712"	396.197	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M"	0
"983778"	377.17861	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-H2O-H"	-19.01839
"72022"	263.124057333333	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M-3H"	-3.021828
"509394"	395.189724	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M-3H"	-3.021828
"882821"	131.058390666667	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-3H"	-3.021828
"7956"	395.189724	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M-2H"	-2.014552
"447516"	593.288224	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M-2H"	-2.014552
"820942"	197.091224	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-2H"	-2.014552
"79593"	791.386724	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M-H"	-1.007276
"519027"	1187.583724	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M-H"	-1.007276
"898413"	395.189724	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-H"	-1.007276
"49508"	808.413271	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M-2H+NH4"	16.019271
"488459"	1204.610271	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M-2H+NH4"	16.019271
"864437"	412.216271	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-2H+NH4"	16.019271
"39036"	813.368666	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M-2H+Na"	20.974666
"476411"	1209.565666	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M-2H+Na"	20.974666
"853119"	417.171666	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-2H+Na"	20.974666
"1619005"	417.171666	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Na-2H"	20.974666
"95081"	413.178063	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M-H+Cl"	33.962126
"536546"	611.276563	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M-H+Cl"	33.962126
"932248"	215.079563	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-H+Cl"	33.962126
"271898"	827.363402	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+Cl"	34.969402
"661889"	1223.560402	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+Cl"	34.969402
"1274534"	431.166402	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Cl"	34.969402
"20742"	829.342606	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M-2H+K"	36.948606
"461035"	1225.539606	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M-2H+K"	36.948606
"839929"	433.145606	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-2H+K"	36.948606
"1564512"	433.145606	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+K-2H"	36.948606
"956043"	441.195194	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-H+HCOOH"	44.998194
"375961"	837.392201	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+HCOOH-H"	44.998201
"350487"	851.407851	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+Hac-H"	59.013851
"1501146"	455.210851	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Hac-H"	59.013851
"965406"	463.177151	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-H+NaCOOH"	66.980151
"120145"	431.166402	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+2Cl"	69.938804
"561892"	629.264902	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+2Cl"	69.938804
"1031785"	233.067902	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2Cl"	69.938804
"1251728"	475.115885	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Br"	78.918885
"1313445"	477.171872	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Cl+HCOOH"	80.974872
"1324380"	499.153829	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Cl+NaCOOH"	102.956829
"916168"	509.182586	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M-H+CF3COOH"	112.985586
"1290686"	545.159264	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Cl+CF3COOH"	148.962264
"1368847"	361.184324	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H-2H2O"	-35.012676
"1382976"	379.1943	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H-H2O"	-17.0027
"284198"	793.401276	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+H"	1.007276
"676258"	1189.598276	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+H"	1.007276
"1351635"	397.204276	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H"	1.007276
"127799"	397.204276	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+2H"	2.014552
"567012"	595.302776	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+2H"	2.014552
"1038609"	199.105776	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2H"	2.014552
"204806"	265.138609333333	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+3H"	3.021828
"647163"	397.204276	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+3H"	3.021828
"1167476"	133.072942666667	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+3H"	3.021828
"434035"	810.427823	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+NH4"	18.033823
"797220"	1206.624823	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+NH4"	18.033823
"1690273"	414.230823	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+NH4"	18.033823
"344386"	405.7175495	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+H+NH4"	19.041099
"732065"	603.8160495	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+H+NH4"	19.041099
"1485889"	207.6190495	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H+NH4"	19.041099
"404567"	815.383218	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+Na"	22.989218
"762286"	1211.580218	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+Na"	22.989218
"1609294"	419.186218	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Na"	22.989218
"325887"	408.195247	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+H+Na"	23.996494
"718308"	606.293747	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+H+Na"	23.996494
"1472129"	210.096747	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H+Na"	23.996494
"1063188"	140.400256666667	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2H+Na"	25.00377
"1268146"	429.230486	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+CH3OH+H"	33.033486
"390002"	831.357158	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+K"	38.963158
"749904"	1227.554158	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+K"	38.963158
"1554140"	435.160158	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+K"	38.963158
"304755"	416.182217	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+H+K"	39.970434
"698269"	614.280717	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+H+K"	39.970434
"1455370"	218.083717	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H+K"	39.970434
"237409"	834.427826	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+ACN+H"	42.033826
"1211212"	438.230826	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+ACN+H"	42.033826
"1196554"	219.619051	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+ACN+2H"	43.041102
"190161"	837.36516	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+2Na-H"	44.97116
"635194"	1233.56216	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+2Na-H"	44.97116
"1137608"	441.16816	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2Na-H"	44.97116
"175433"	419.186218	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+2Na"	45.978436
"616454"	617.284718	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+2Na"	45.978436
"1120327"	221.087718	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2Na"	45.978436
"1402394"	147.727570666667	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H+2Na"	46.985712
"1434508"	443.209746	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H+HCOOH"	47.012746
"226027"	424.21924	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+3H2O+2H"	56.04448
"1515181"	457.26179	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+IsoProp+H"	61.06479
"413775"	427.173188	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+Na+K"	61.952376
"773677"	625.271688	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+Na+K"	61.952376
"1673288"	229.074688	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Na+K"	61.952376
"256528"	856.409768	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+ACN+Na"	64.015768
"1231423"	460.212768	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+ACN+Na"	64.015768
"1715935"	460.236293	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+NH4+HCOOH"	64.039293
"1181290"	155.054884666667	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+3Na"	68.967654
"1653368"	465.191688	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Na+HCOOH"	68.994688
"159137"	869.31304	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+2K-H"	76.91904
"597971"	1265.51004	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+2K-H"	76.91904
"1085766"	473.11604	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2K-H"	76.91904
"144043"	435.160158	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"2M+2K"	77.926316
"589441"	633.258658	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"3M+2K"	77.926316
"1082708"	237.061658	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2K"	77.926316
"1113364"	475.130592	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2K+H"	78.933592
"1346832"	475.218207	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+DMSO+H"	79.021207
"1016454"	479.257376	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2ACN+H"	83.060376
"1537499"	480.251008	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+IsoProp+Na+H"	84.054008
"1004069"	240.132326	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+2ACN+2H"	84.067652
"1598814"	481.165628	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+K+HCOOH"	84.968628
"1429579"	511.197138	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+H+CF3COOH"	115.000138
"1162652"	260.645601	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+3ACN+2H"	125.094202
"1711969"	528.223685	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+NH4+CF3COOH"	132.026685
"1647617"	533.17908	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+Na+CF3COOH"	136.98208
"1578897"	549.15302	"C18044"	"3beta-Hydroxypregn-5-en-20-one sulfate;Pregnenolone sulfate"	"C21H32O5S"	"396.197"	"M+K+CF3COOH"	152.95602
"805984"	304.2038	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M"	0
"977328"	285.18541	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"65571"	201.795257333333	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"504037"	303.196524	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"884021"	100.393990666667	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"408"	303.196524	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"443249"	455.298424	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"818862"	151.094624	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"79460"	607.400324	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"519990"	911.604124	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"898036"	303.196524	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"48046"	624.426871	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"490163"	928.630671	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"865531"	320.223071	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"32327"	629.382266	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"472138"	933.586066	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"848848"	325.178466	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1619474"	325.178466	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"95876"	321.184863	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"534833"	473.286763	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"927775"	169.082963	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"267752"	643.377002	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"660337"	947.580802	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1273308"	339.173202	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"16839"	645.356206	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"465522"	949.560006	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"848065"	341.152406	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1562439"	341.152406	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"949227"	349.201994	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"372911"	653.405801	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"346960"	667.421451	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1496885"	363.217651	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"964425"	371.183951	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"112603"	339.173202	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"552893"	491.275102	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1032990"	187.071302	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1254026"	383.122685	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1314651"	385.178672	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1324493"	407.160629	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"917374"	417.189386	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1296633"	453.166064	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1368594"	269.191124	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1383901"	287.2011	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"283341"	609.414876	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"676373"	913.618676	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1353092"	305.211076	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"134738"	305.211076	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"577579"	457.312976	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1044191"	153.109176	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"207717"	203.809809333333	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"644845"	305.211076	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1168685"	102.408542666667	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"427583"	626.441423	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"796239"	930.645223	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1692937"	322.237623	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"345552"	313.7243495	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"734366"	465.8262495	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1486000"	161.6224495	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"404680"	631.396818	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"763488"	935.600618	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1610493"	327.193018	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"320530"	316.202047	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"709670"	468.303947	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1463488"	164.100147	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1057827"	109.735856666667	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1264974"	337.237286	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"384642"	647.370758	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"747824"	951.574558	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1550969"	343.166958	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"300492"	324.189017	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"692667"	476.290917	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1446853"	172.087117	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"239715"	650.441426	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1211696"	346.237626	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1195094"	173.622451	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"195748"	653.37876	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"631662"	957.58256	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1135168"	349.17496	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"175542"	327.193018	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"619485"	479.294918	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1118615"	175.091118	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1411982"	117.063170666667	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1438631"	351.216546	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"225047"	332.22604	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1510191"	365.26859	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"411701"	335.179988	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"782539"	487.281888	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1672308"	183.078088	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"258828"	672.423368	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1237004"	368.219568	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1719328"	368.243093	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1182493"	124.390484666667	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1655669"	373.198488	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"161436"	685.32664	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"598450"	989.53044	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1087707"	381.12284	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"145614"	343.166958	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"595268"	495.268858	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1082333"	191.065058	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1114450"	383.137392	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1348036"	383.225007	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1017660"	387.264176	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1539759"	388.257808	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"1000048"	194.135726	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1600019"	389.172428	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1428959"	419.203938	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1159248"	214.649001	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1709892"	436.230485	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1644448"	441.18588	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1579007"	457.15982	"C18045"	"7alpha-Hydroxydehydroepiandrosterone;7alpha-OH-DHEA;3beta7alpha-Dihydroxy-5-androstene-17-one"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"803907"	275.1117	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M"	0
"975251"	256.09331	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-H2O-H"	-19.01839
"63529"	182.400524	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M-3H"	-3.021828
"503899"	274.104424	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M-3H"	-3.021828
"880857"	90.696624	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-3H"	-3.021828
"2339"	274.104424	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M-2H"	-2.014552
"441654"	411.660274	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M-2H"	-2.014552
"818002"	136.548574	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-2H"	-2.014552
"80058"	549.216124	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M-H"	-1.007276
"519252"	824.327824	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M-H"	-1.007276
"896453"	274.104424	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-H"	-1.007276
"47787"	566.242671	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M-2H+NH4"	16.019271
"487425"	841.354371	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M-2H+NH4"	16.019271
"864471"	291.130971	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-2H+NH4"	16.019271
"31672"	571.198066	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M-2H+Na"	20.974666
"473102"	846.309766	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M-2H+Na"	20.974666
"849568"	296.086366	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-2H+Na"	20.974666
"1625058"	296.086366	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Na-2H"	20.974666
"94895"	292.092763	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M-H+Cl"	33.962126
"535311"	429.648613	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M-H+Cl"	33.962126
"927367"	154.536913	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-H+Cl"	33.962126
"267544"	585.192802	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+Cl"	34.969402
"660044"	860.304502	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+Cl"	34.969402
"1284610"	310.081102	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Cl"	34.969402
"28258"	587.172006	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M-2H+K"	36.948606
"471026"	862.283706	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M-2H+K"	36.948606
"847083"	312.060306	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-2H+K"	36.948606
"1563645"	312.060306	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+K-2H"	36.948606
"950440"	320.109894	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-H+HCOOH"	44.998194
"370841"	595.221601	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+HCOOH-H"	44.998201
"354723"	609.237251	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+Hac-H"	59.013851
"1493590"	334.125551	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Hac-H"	59.013851
"959434"	342.091851	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-H+NaCOOH"	66.980151
"111492"	310.081102	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+2Cl"	69.938804
"553003"	447.636952	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+2Cl"	69.938804
"1030549"	172.525252	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2Cl"	69.938804
"1246847"	354.030585	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Br"	78.918885
"1309658"	356.086572	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Cl+HCOOH"	80.974872
"1325330"	378.068529	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Cl+NaCOOH"	102.956829
"916024"	388.097286	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M-H+CF3COOH"	112.985586
"1290910"	424.073964	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Cl+CF3COOH"	148.962264
"1370162"	240.099024	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H-2H2O"	-35.012676
"1385477"	258.109	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H-H2O"	-17.0027
"285895"	551.230676	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+H"	1.007276
"681237"	826.342376	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+H"	1.007276
"1358682"	276.118976	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H"	1.007276
"137038"	276.118976	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+2H"	2.014552
"576597"	413.674826	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+2H"	2.014552
"1052323"	138.563126	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2H"	2.014552
"214394"	184.415076	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+3H"	3.021828
"657963"	276.118976	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+3H"	3.021828
"1177189"	92.711176	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+3H"	3.021828
"436449"	568.257223	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+NH4"	18.033823
"797443"	843.368923	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+NH4"	18.033823
"1690495"	293.145523	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+NH4"	18.033823
"340962"	284.6322495	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+H+NH4"	19.041099
"732291"	422.1880995	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+H+NH4"	19.041099
"1486110"	147.0763995	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H+NH4"	19.041099
"405883"	573.212618	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+Na"	22.989218
"763599"	848.324318	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+Na"	22.989218
"1612790"	298.100918	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Na"	22.989218
"320640"	287.109947	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+H+Na"	23.996494
"716341"	424.665797	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+H+Na"	23.996494
"1469067"	149.554097	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H+Na"	23.996494
"1063406"	100.03849	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2H+Na"	25.00377
"1265086"	308.145186	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+CH3OH+H"	33.033486
"386939"	589.186558	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+K"	38.963158
"738702"	864.298258	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+K"	38.963158
"1543425"	314.074858	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+K"	38.963158
"299146"	295.096917	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+H+K"	39.970434
"691608"	432.652767	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+H+K"	39.970434
"1446849"	157.541067	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H+K"	39.970434
"237643"	592.257226	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+ACN+H"	42.033826
"1220199"	317.145526	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+ACN+H"	42.033826
"1202988"	159.076401	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+ACN+2H"	43.041102
"191851"	595.19456	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+2Na-H"	44.97116
"643079"	870.30626	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+2Na-H"	44.97116
"1141120"	320.08286	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2Na-H"	44.97116
"177119"	298.100918	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+2Na"	45.978436
"617043"	435.656768	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+2Na"	45.978436
"1120549"	160.545068	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2Na"	45.978436
"1406625"	107.365804	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H+2Na"	46.985712
"1436555"	322.124446	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H+HCOOH"	47.012746
"226251"	303.13394	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+3H2O+2H"	56.04448
"1511033"	336.17649	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+IsoProp+H"	61.06479
"415093"	306.087888	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+Na+K"	61.952376
"780463"	443.643738	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+Na+K"	61.952376
"1673511"	168.532038	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Na+K"	61.952376
"254564"	614.239168	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+ACN+Na"	64.015768
"1228729"	339.127468	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+ACN+Na"	64.015768
"1713968"	339.150993	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+NH4+HCOOH"	64.039293
"1179811"	114.693118	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+3Na"	68.967654
"1655055"	344.106388	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Na+HCOOH"	68.994688
"168120"	627.14244	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+2K-H"	76.91904
"607683"	902.25414	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+2K-H"	76.91904
"1097422"	352.03074	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2K-H"	76.91904
"153387"	314.074858	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"2M+2K"	77.926316
"593675"	451.630708	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"3M+2K"	77.926316
"1081468"	176.519008	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2K"	77.926316
"1107388"	354.045292	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2K+H"	78.933592
"1341587"	354.132907	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+DMSO+H"	79.021207
"1017772"	358.172076	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2ACN+H"	83.060376
"1535897"	359.165708	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+IsoProp+Na+H"	84.054008
"1000159"	179.589676	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+2ACN+2H"	84.067652
"1602197"	360.080328	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+K+HCOOH"	84.968628
"1429557"	390.111838	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+H+CF3COOH"	115.000138
"1161543"	200.102951	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+3ACN+2H"	125.094202
"1703439"	407.138385	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+NH4+CF3COOH"	132.026685
"1639091"	412.09378	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+Na+CF3COOH"	136.98208
"1579118"	428.06772	"C18048"	"N-Succinyl-L-citrulline"	"C10H17N3O6"	"275.1117"	"M+K+CF3COOH"	152.95602
"802313"	422.0825	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M"	0
"976088"	403.06411	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"64331"	280.381057333333	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"503888"	421.075224	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"881686"	139.686890666667	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"184"	421.075224	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"440917"	632.116474	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"817149"	210.033974	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"78666"	843.157724	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"518537"	1265.240224	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"895868"	421.075224	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"48269"	860.184271	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"487252"	1282.266771	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"864443"	438.101771	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"31781"	865.139666	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"471502"	1287.222166	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"848948"	443.057166	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1618500"	443.057166	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"94328"	439.063563	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"534613"	650.104813	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"927125"	228.022313	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"269681"	879.134402	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"660320"	1301.216902	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1286543"	457.051902	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"22901"	881.113606	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"461367"	1303.196106	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"841359"	459.031106	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1562665"	459.031106	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"954923"	467.080694	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"372046"	889.163201	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"348274"	903.178851	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1494920"	481.096351	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"964647"	489.062651	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"111241"	457.051902	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"555301"	668.093152	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1024100"	246.010652	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1248051"	501.001385	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1308312"	503.057372	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1324713"	525.039329	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"916865"	535.068086	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1291017"	571.044764	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1370272"	387.069824	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1385955"	405.0798	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"287827"	845.172276	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"684628"	1267.254776	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1357698"	423.089776	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"131681"	423.089776	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"576709"	634.131026	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1051340"	212.048526	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"214504"	282.395609333333	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"652973"	423.089776	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1177541"	141.701442666667	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"436559"	862.198823	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"797554"	1284.281323	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1689512"	440.116323	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"334511"	431.6030495	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"726934"	642.6442995	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1485128"	220.5617995	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"397247"	867.154218	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"758244"	1289.236718	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1608527"	445.071718	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"318566"	434.080747	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"714265"	645.121997	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1468084"	223.039497	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1060236"	149.028756666667	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1265195"	455.115986	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"378306"	883.128158	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"739784"	1305.210658	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1541349"	461.045658	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"302169"	442.067717	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"692409"	653.108967	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1447325"	231.026467	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"237753"	886.198826	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1215934"	464.116326	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1200911"	232.561801	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"198162"	889.13616	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"636631"	1311.21866	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1141230"	467.05366	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"181240"	445.071718	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"626266"	656.112968	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1122845"	234.030468	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1403454"	156.356070666667	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1436665"	469.095246	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"227455"	450.10474	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1515517"	483.14729	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"423709"	453.058688	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"782760"	664.099938	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1676903"	242.017438	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"256861"	908.180768	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1231756"	486.098268	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1714812"	486.121793	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1183817"	163.683384666667	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1654437"	491.077188	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"167137"	921.08404	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"605606"	1343.16654	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1097410"	499.00154	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"152403"	461.045658	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"596339"	672.086908	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1081942"	250.004408	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1109686"	501.016092	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1341696"	501.103707	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1017883"	505.142876	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1532727"	506.136508	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"1005256"	253.075076	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1602305"	507.051128	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1426994"	537.082638	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1161655"	273.588351	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1707923"	554.109185	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1642481"	559.06458	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1579230"	575.03852	"C18050"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate;Mannosylfructose 6-phosphate"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"801373"	314.0684	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M"	0
"974403"	295.05001	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H2O-H"	-19.01839
"62867"	208.371657333333	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-3H"	-3.021828
"502970"	313.061124	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-3H"	-3.021828
"880216"	103.682190666667	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-3H"	-3.021828
"141"	313.061124	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H"	-2.014552
"440296"	470.095324	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H"	-2.014552
"817107"	156.026924	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H"	-2.014552
"78688"	627.129524	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H"	-1.007276
"518661"	941.197924	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H"	-1.007276
"895943"	313.061124	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H"	-1.007276
"49840"	644.156071	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+NH4"	16.019271
"488669"	958.224471	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+NH4"	16.019271
"864230"	330.087671	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+NH4"	16.019271
"31543"	649.111466	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+Na"	20.974666
"471402"	963.179866	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+Na"	20.974666
"849546"	335.043066	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+Na"	20.974666
"1618754"	335.043066	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na-2H"	20.974666
"94672"	331.049463	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H+Cl"	33.962126
"535899"	488.083663	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H+Cl"	33.962126
"927382"	174.015263	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+Cl"	33.962126
"267725"	663.106202	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Cl"	34.969402
"660027"	977.174602	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Cl"	34.969402
"1281550"	349.037802	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl"	34.969402
"20095"	665.085406	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+K"	36.948606
"461112"	979.153806	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+K"	36.948606
"842562"	351.017006	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+K"	36.948606
"1562775"	351.017006	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K-2H"	36.948606
"953939"	359.066594	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+HCOOH"	44.998194
"372156"	673.135001	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+HCOOH-H"	44.998201
"349478"	687.150651	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Hac-H"	59.013851
"1495030"	373.082251	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Hac-H"	59.013851
"962570"	381.048551	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+NaCOOH"	66.980151
"110744"	349.037802	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Cl"	69.938804
"555411"	506.072002	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Cl"	69.938804
"1024210"	192.003602	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Cl"	69.938804
"1248161"	392.987285	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Br"	78.918885
"1311702"	395.043272	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+HCOOH"	80.974872
"1324823"	417.025229	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+NaCOOH"	102.956829
"916610"	427.053986	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+CF3COOH"	112.985586
"1290399"	463.030664	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+CF3COOH"	148.962264
"1370385"	279.055724	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-2H2O"	-35.012676
"1387158"	297.0657	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-H2O"	-17.0027
"287937"	629.144076	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H"	1.007276
"678177"	943.212476	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H"	1.007276
"1357809"	315.075676	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H"	1.007276
"131791"	315.075676	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2H"	2.014552
"573539"	472.109876	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2H"	2.014552
"1051450"	158.041476	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H"	2.014552
"212427"	210.386209333333	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H"	3.021828
"654175"	315.075676	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+3H"	3.021828
"1176315"	105.696742666667	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3H"	3.021828
"436669"	646.170623	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+NH4"	18.033823
"795477"	960.239023	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+NH4"	18.033823
"1690716"	332.102223	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4"	18.033823
"332434"	323.5889495	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+NH4"	19.041099
"727044"	480.6231495	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+NH4"	19.041099
"1483052"	166.5547495	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+NH4"	19.041099
"398451"	651.126018	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na"	22.989218
"756165"	965.194418	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na"	22.989218
"1607542"	337.057618	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na"	22.989218
"315757"	326.066647	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+Na"	23.996494
"711095"	483.100847	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+Na"	23.996494
"1464915"	169.032447	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+Na"	23.996494
"1055973"	113.024056666667	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H+Na"	25.00377
"1260932"	347.101886	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+CH3OH+H"	33.033486
"378416"	667.099958	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+K"	38.963158
"738880"	981.168358	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+K"	38.963158
"1541095"	353.031558	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K"	38.963158
"300213"	334.053617	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+K"	39.970434
"691905"	491.087817	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+K"	39.970434
"1445895"	177.019417	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+K"	39.970434
"236076"	670.170626	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+H"	42.033826
"1216044"	356.102226	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+H"	42.033826
"1199928"	178.554751	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+2H"	43.041102
"200459"	673.10796	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na-H"	44.97116
"636741"	987.17636	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na-H"	44.97116
"1139153"	359.03956	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na-H"	44.97116
"181350"	337.057618	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na"	45.978436
"626376"	494.091818	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na"	45.978436
"1122591"	180.023418	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na"	45.978436
"1404659"	120.351370666667	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+2Na"	46.985712
"1435682"	361.081146	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+HCOOH"	47.012746
"226472"	342.09064	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H2O+2H"	56.04448
"1515627"	375.13319	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+H"	61.06479
"418594"	345.044588	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na+K"	61.952376
"777403"	502.078788	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na+K"	61.952376
"1671544"	188.010388	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+K"	61.952376
"252596"	692.152568	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+Na"	64.015768
"1228220"	378.084168	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+Na"	64.015768
"1713946"	378.107693	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+HCOOH"	64.039293
"1183927"	127.678684666667	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3Na"	68.967654
"1653454"	383.063088	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+HCOOH"	68.994688
"167247"	705.05584	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K-H"	76.91904
"607903"	1019.12424	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K-H"	76.91904
"1099802"	390.98744	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K-H"	76.91904
"155794"	353.031558	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K"	77.926316
"594261"	510.065758	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K"	77.926316
"1082783"	195.997358	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K"	77.926316
"1109796"	393.001992	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K+H"	78.933592
"1342900"	393.089607	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+DMSO+H"	79.021207
"1017993"	397.128776	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+H"	83.060376
"1536117"	398.122408	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+Na+H"	84.054008
"1005367"	199.068026	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+2H"	84.067652
"1602051"	399.037028	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+HCOOH"	84.968628
"1427104"	429.068538	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+CF3COOH"	115.000138
"1159578"	219.581301	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3ACN+2H"	125.094202
"1708033"	446.095085	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+CF3COOH"	132.026685
"1644777"	451.05048	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+CF3COOH"	136.98208
"1579340"	467.02442	"C18051"	"Chrysanthemyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+CF3COOH"	152.95602
"806425"	314.0684	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M"	0
"975218"	295.05001	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H2O-H"	-19.01839
"64917"	208.371657333333	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-3H"	-3.021828
"503743"	313.061124	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-3H"	-3.021828
"881421"	103.682190666667	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-3H"	-3.021828
"609"	313.061124	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H"	-2.014552
"440450"	470.095324	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H"	-2.014552
"817719"	156.026924	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H"	-2.014552
"78926"	627.129524	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H"	-1.007276
"519336"	941.197924	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H"	-1.007276
"901042"	313.061124	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H"	-1.007276
"50313"	644.156071	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+NH4"	16.019271
"489872"	958.224471	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+NH4"	16.019271
"864865"	330.087671	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+NH4"	16.019271
"31882"	649.111466	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+Na"	20.974666
"471727"	963.179866	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+Na"	20.974666
"849413"	335.043066	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+Na"	20.974666
"1618572"	335.043066	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na-2H"	20.974666
"94541"	331.049463	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H+Cl"	33.962126
"535279"	488.083663	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H+Cl"	33.962126
"927493"	174.015263	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+Cl"	33.962126
"267835"	663.106202	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Cl"	34.969402
"660034"	977.174602	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Cl"	34.969402
"1273135"	349.037802	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl"	34.969402
"15937"	665.085406	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+K"	36.948606
"460856"	979.153806	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+K"	36.948606
"836110"	351.017006	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+K"	36.948606
"1562883"	351.017006	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K-2H"	36.948606
"952956"	359.066594	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+HCOOH"	44.998194
"375546"	673.135001	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+HCOOH-H"	44.998201
"357242"	687.150651	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Hac-H"	59.013851
"1501701"	373.082251	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Hac-H"	59.013851
"967054"	381.048551	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+NaCOOH"	66.980151
"111342"	349.037802	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Cl"	69.938804
"559896"	506.072002	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Cl"	69.938804
"1028693"	192.003602	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Cl"	69.938804
"1244992"	392.987285	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Br"	78.918885
"1311813"	395.043272	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+HCOOH"	80.974872
"1330401"	417.025229	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+NaCOOH"	102.956829
"917086"	427.053986	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+CF3COOH"	112.985586
"1295980"	463.030664	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+CF3COOH"	148.962264
"1370859"	279.055724	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-2H2O"	-35.012676
"1387268"	297.0657	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-H2O"	-17.0027
"286586"	629.144076	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H"	1.007276
"678650"	943.212476	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H"	1.007276
"1357918"	315.075676	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H"	1.007276
"136274"	315.075676	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2H"	2.014552
"575835"	472.109876	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2H"	2.014552
"1051194"	158.041476	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H"	2.014552
"211444"	210.386209333333	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H"	3.021828
"651004"	315.075676	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+3H"	3.021828
"1176061"	105.696742666667	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3H"	3.021828
"435685"	646.170623	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+NH4"	18.033823
"798867"	960.239023	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+NH4"	18.033823
"1686454"	332.102223	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4"	18.033823
"335825"	323.5889495	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+NH4"	19.041099
"731530"	480.6231495	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+NH4"	19.041099
"1480976"	166.5547495	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+NH4"	19.041099
"394188"	651.126018	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na"	22.989218
"755547"	965.194418	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na"	22.989218
"1605467"	337.057618	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na"	22.989218
"315868"	326.066647	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+Na"	23.996494
"712298"	483.100847	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+Na"	23.996494
"1463932"	169.032447	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+Na"	23.996494
"1062644"	113.024056666667	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H+Na"	25.00377
"1263228"	347.101886	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+CH3OH+H"	33.033486
"378892"	667.099958	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+K"	38.963158
"739150"	981.168358	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+K"	38.963158
"1541568"	353.031558	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K"	38.963158
"300932"	334.053617	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+K"	39.970434
"691530"	491.087817	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+K"	39.970434
"1446084"	177.019417	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+K"	39.970434
"236512"	670.170626	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+H"	42.033826
"1213238"	356.102226	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+H"	42.033826
"1198215"	178.554751	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+2H"	43.041102
"199478"	673.10796	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na-H"	44.97116
"635758"	987.17636	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na-H"	44.97116
"1137440"	359.03956	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na-H"	44.97116
"180365"	337.057618	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na"	45.978436
"624299"	494.091818	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na"	45.978436
"1121972"	180.023418	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na"	45.978436
"1405132"	120.351370666667	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+2Na"	46.985712
"1436885"	361.081146	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+HCOOH"	47.012746
"226582"	342.09064	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H2O+2H"	56.04448
"1514644"	375.13319	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+H"	61.06479
"417611"	345.044588	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na+K"	61.952376
"774961"	502.078788	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na+K"	61.952376
"1671655"	188.010388	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+K"	61.952376
"251974"	692.152568	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+Na"	64.015768
"1226260"	378.084168	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+Na"	64.015768
"1713567"	378.107693	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+HCOOH"	64.039293
"1182945"	127.678684666667	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3Na"	68.967654
"1651254"	383.063088	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+HCOOH"	68.994688
"164079"	705.05584	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K-H"	76.91904
"612227"	1019.12424	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K-H"	76.91904
"1099337"	390.98744	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K-H"	76.91904
"157039"	353.031558	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K"	77.926316
"597081"	510.065758	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K"	77.926316
"1084155"	195.997358	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K"	77.926316
"1111000"	393.001992	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K+H"	78.933592
"1350912"	393.089607	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+DMSO+H"	79.021207
"1018103"	397.128776	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+H"	83.060376
"1539743"	398.122408	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+Na+H"	84.054008
"1005441"	199.068026	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+2H"	84.067652
"1600462"	399.037028	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+HCOOH"	84.968628
"1428311"	429.068538	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+CF3COOH"	115.000138
"1160782"	219.581301	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3ACN+2H"	125.094202
"1708143"	446.095085	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+CF3COOH"	132.026685
"1643795"	451.05048	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+CF3COOH"	136.98208
"1579450"	467.02442	"C18052"	"Lavandulyl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+CF3COOH"	152.95602
"801833"	424.1886	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M"	0
"976057"	405.17021	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-H2O-H"	-19.01839
"64053"	281.785124	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M-3H"	-3.021828
"504217"	423.181324	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M-3H"	-3.021828
"882385"	140.388924	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-3H"	-3.021828
"960"	423.181324	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M-2H"	-2.014552
"441979"	635.275624	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M-2H"	-2.014552
"818079"	211.087024	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-2H"	-2.014552
"78914"	847.369924	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M-H"	-1.007276
"518877"	1271.558524	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M-H"	-1.007276
"900055"	423.181324	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-H"	-1.007276
"51150"	864.396471	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M-2H+NH4"	16.019271
"489617"	1288.585071	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M-2H+NH4"	16.019271
"865468"	440.207871	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-2H+NH4"	16.019271
"33248"	869.351866	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M-2H+Na"	20.974666
"474878"	1293.540466	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M-2H+Na"	20.974666
"850495"	445.163266	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-2H+Na"	20.974666
"1621122"	445.163266	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Na-2H"	20.974666
"95582"	441.169663	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M-H+Cl"	33.962126
"535137"	653.263963	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M-H+Cl"	33.962126
"928173"	229.075363	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-H+Cl"	33.962126
"268310"	883.346602	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+Cl"	34.969402
"661337"	1307.535202	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+Cl"	34.969402
"1273860"	459.158002	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Cl"	34.969402
"17146"	885.325806	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M-2H+K"	36.948606
"460604"	1309.514406	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M-2H+K"	36.948606
"839501"	461.137206	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-2H+K"	36.948606
"1562993"	461.137206	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+K-2H"	36.948606
"950879"	469.186794	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-H+HCOOH"	44.998194
"373468"	893.375401	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+HCOOH-H"	44.998201
"355165"	907.391051	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+Hac-H"	59.013851
"1500717"	483.202451	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Hac-H"	59.013851
"968257"	491.168751	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-H+NaCOOH"	66.980151
"111695"	459.158002	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+2Cl"	69.938804
"561099"	671.252302	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+2Cl"	69.938804
"1029896"	247.063702	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2Cl"	69.938804
"1246196"	503.107485	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Br"	78.918885
"1305358"	505.163472	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Cl+HCOOH"	80.974872
"1327231"	527.145429	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Cl+NaCOOH"	102.956829
"919383"	537.174186	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M-H+CF3COOH"	112.985586
"1290257"	573.150864	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Cl+CF3COOH"	148.962264
"1368781"	389.175924	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H-2H2O"	-35.012676
"1389566"	407.1859	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H-H2O"	-17.0027
"288159"	849.384476	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+H"	1.007276
"682770"	1273.573076	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+H"	1.007276
"1361309"	425.195876	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H"	1.007276
"135292"	425.195876	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+2H"	2.014552
"574852"	637.290176	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+2H"	2.014552
"1051304"	213.101576	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2H"	2.014552
"217755"	283.799676	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+3H"	3.021828
"658412"	425.195876	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+3H"	3.021828
"1175439"	142.403476	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+3H"	3.021828
"436893"	866.411023	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+NH4"	18.033823
"798613"	1290.599623	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+NH4"	18.033823
"1689844"	442.222423	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+NH4"	18.033823
"334841"	433.7091495	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+H+NH4"	19.041099
"728360"	645.8034495	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+H+NH4"	19.041099
"1483273"	221.6148495	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H+NH4"	19.041099
"398669"	871.366418	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+Na"	22.989218
"757481"	1295.555018	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+Na"	22.989218
"1606673"	447.177818	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Na"	22.989218
"318895"	436.186847	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+H+Na"	23.996494
"712410"	648.281147	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+H+Na"	23.996494
"1464041"	224.092547	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H+Na"	23.996494
"1057286"	149.73079	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2H+Na"	25.00377
"1260421"	457.222086	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+CH3OH+H"	33.033486
"381917"	887.340358	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+K"	38.963158
"738900"	1311.528958	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+K"	38.963158
"1540586"	463.151758	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+K"	38.963158
"299220"	444.173817	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+H+K"	39.970434
"691888"	656.268117	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+H+K"	39.970434
"1446073"	232.079517	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H+K"	39.970434
"236500"	890.411026	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+ACN+H"	42.033826
"1211281"	466.222426	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+ACN+H"	42.033826
"1196868"	233.614851	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+ACN+2H"	43.041102
"199952"	893.34836	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+2Na-H"	44.97116
"636961"	1317.53696	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+2Na-H"	44.97116
"1134269"	469.15976	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2Na-H"	44.97116
"177923"	447.177818	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+2Na"	45.978436
"623316"	659.272118	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+2Na"	45.978436
"1119896"	235.083518	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2Na"	45.978436
"1407065"	157.058104	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H+2Na"	46.985712
"1434804"	471.201346	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H+HCOOH"	47.012746
"228878"	452.21084	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+3H2O+2H"	56.04448
"1511473"	485.25339	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+IsoProp+H"	61.06479
"415533"	455.164788	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+Na+K"	61.952376
"778717"	667.259088	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+Na+K"	61.952376
"1671767"	243.070488	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Na+K"	61.952376
"256097"	912.392968	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+ACN+Na"	64.015768
"1227711"	488.204368	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+ACN+Na"	64.015768
"1713435"	488.227893	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+NH4+HCOOH"	64.039293
"1181962"	164.385418	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+3Na"	68.967654
"1651486"	493.183288	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Na+HCOOH"	68.994688
"166375"	925.29624	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+2K-H"	76.91904
"612134"	1349.48484	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+2K-H"	76.91904
"1099491"	501.10764	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2K-H"	76.91904
"157065"	463.151758	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"2M+2K"	77.926316
"596677"	675.246058	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"3M+2K"	77.926316
"1083903"	251.057458	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2K"	77.926316
"1111110"	503.122192	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2K+H"	78.933592
"1350415"	503.209807	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+DMSO+H"	79.021207
"1012745"	507.248976	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2ACN+H"	83.060376
"1535245"	508.242608	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+IsoProp+Na+H"	84.054008
"1005181"	254.128126	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+2ACN+2H"	84.067652
"1602155"	509.157228	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+K+HCOOH"	84.968628
"1429147"	539.188738	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+H+CF3COOH"	115.000138
"1158705"	274.641401	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+3ACN+2H"	125.094202
"1704973"	556.215285	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+NH4+CF3COOH"	132.026685
"1647185"	561.17068	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+Na+CF3COOH"	136.98208
"1579560"	577.14462	"C18053"	"Sophoraflavanone G"	"C25H28O6"	"424.1886"	"M+K+CF3COOH"	152.95602
"809927"	225.0637	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M"	0
"981272"	206.04531	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-H2O-H"	-19.01839
"68419"	149.035190666667	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M-3H"	-3.021828
"505793"	224.056424	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M-3H"	-3.021828
"882499"	74.0139573333333	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-3H"	-3.021828
"3264"	224.056424	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M-2H"	-2.014552
"440269"	336.588274	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M-2H"	-2.014552
"817458"	111.524574	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-2H"	-2.014552
"80251"	449.120124	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M-H"	-1.007276
"523464"	674.183824	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M-H"	-1.007276
"899076"	224.056424	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-H"	-1.007276
"48586"	466.146671	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M-2H+NH4"	16.019271
"487782"	691.210371	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M-2H+NH4"	16.019271
"865221"	241.082971	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-2H+NH4"	16.019271
"33241"	471.102066	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M-2H+Na"	20.974666
"472923"	696.165766	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M-2H+Na"	20.974666
"850603"	246.038366	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-2H+Na"	20.974666
"1620261"	246.038366	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Na-2H"	20.974666
"95939"	242.044763	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M-H+Cl"	33.962126
"538416"	354.576613	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M-H+Cl"	33.962126
"928036"	129.512913	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-H+Cl"	33.962126
"269758"	485.096802	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+Cl"	34.969402
"663274"	710.160502	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+Cl"	34.969402
"1280787"	260.033102	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Cl"	34.969402
"22249"	487.076006	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M-2H+K"	36.948606
"460714"	712.139706	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M-2H+K"	36.948606
"835967"	262.012306	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-2H+K"	36.948606
"1563105"	262.012306	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+K-2H"	36.948606
"950989"	270.061894	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-H+HCOOH"	44.998194
"376859"	495.125601	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+HCOOH-H"	44.998201
"351995"	509.141251	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+Hac-H"	59.013851
"1497547"	284.077551	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Hac-H"	59.013851
"959254"	292.043851	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-H+NaCOOH"	66.980151
"111562"	260.033102	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+2Cl"	69.938804
"556835"	372.564952	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+2Cl"	69.938804
"1025634"	147.501252	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2Cl"	69.938804
"1245575"	303.982585	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Br"	78.918885
"1307660"	306.038572	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Cl+HCOOH"	80.974872
"1319908"	328.020529	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Cl+NaCOOH"	102.956829
"911593"	338.049286	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M-H+CF3COOH"	112.985586
"1288497"	374.025964	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Cl+CF3COOH"	148.962264
"1372179"	190.051024	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H-2H2O"	-35.012676
"1385302"	208.061	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H-H2O"	-17.0027
"286088"	451.134676	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+H"	1.007276
"678514"	676.198376	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+H"	1.007276
"1362881"	226.070976	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H"	1.007276
"133217"	226.070976	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+2H"	2.014552
"571682"	338.602826	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+2H"	2.014552
"1042669"	113.539126	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2H"	2.014552
"218593"	151.049742666667	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+3H"	3.021828
"659374"	226.070976	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+3H"	3.021828
"1176283"	76.0285093333333	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+3H"	3.021828
"437731"	468.161223	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+NH4"	18.033823
"790706"	693.224923	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+NH4"	18.033823
"1688865"	243.097523	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+NH4"	18.033823
"337144"	234.5842495	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+H+NH4"	19.041099
"729566"	347.1160995	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+H+NH4"	19.041099
"1482293"	122.0523995	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H+NH4"	19.041099
"399878"	473.116618	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+Na"	22.989218
"758683"	698.180318	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+Na"	22.989218
"1607877"	248.052918	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Na"	22.989218
"317914"	237.061947	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+H+Na"	23.996494
"711427"	349.593797	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+H+Na"	23.996494
"1464153"	124.530097	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H+Na"	23.996494
"1056303"	83.3558233333333	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2H+Na"	25.00377
"1261260"	258.097186	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+CH3OH+H"	33.033486
"378260"	489.090558	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+K"	38.963158
"740226"	714.154258	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+K"	38.963158
"1540694"	264.026858	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+K"	38.963158
"302258"	245.048917	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+H+K"	39.970434
"700150"	357.580767	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+H+K"	39.970434
"1452877"	132.517067	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H+K"	39.970434
"248774"	492.161226	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+ACN+H"	42.033826
"1217473"	267.097526	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+ACN+H"	42.033826
"1203541"	134.052401	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+ACN+2H"	43.041102
"198599"	495.09856	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+2Na-H"	44.97116
"640356"	720.16226	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+2Na-H"	44.97116
"1140579"	270.03486	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2Na-H"	44.97116
"183868"	248.052918	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+2Na"	45.978436
"621240"	360.584768	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+2Na"	45.978436
"1122559"	135.521068	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2Na"	45.978436
"1408271"	90.6831373333333	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H+2Na"	46.985712
"1434190"	272.076446	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H+HCOOH"	47.012746
"228990"	253.08594	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+3H2O+2H"	56.04448
"1517054"	286.12849	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+IsoProp+H"	61.06479
"414554"	256.039888	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+Na+K"	61.952376
"772994"	368.571738	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+Na+K"	61.952376
"1669322"	143.508038	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Na+K"	61.952376
"257672"	514.143168	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+ACN+Na"	64.015768
"1226852"	289.079468	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+ACN+Na"	64.015768
"1714887"	289.102993	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+NH4+HCOOH"	64.039293
"1186450"	98.0104513333333	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+3Na"	68.967654
"1660718"	294.058388	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Na+HCOOH"	68.994688
"166486"	527.04644	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+2K-H"	76.91904
"612254"	752.11014	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+2K-H"	76.91904
"1099561"	301.98274	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2K-H"	76.91904
"156823"	264.026858	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"2M+2K"	77.926316
"594472"	376.558708	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"3M+2K"	77.926316
"1081291"	151.495008	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2K"	77.926316
"1111221"	303.997292	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2K+H"	78.933592
"1347606"	304.084907	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+DMSO+H"	79.021207
"1011766"	308.124076	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2ACN+H"	83.060376
"1535360"	309.117708	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+IsoProp+Na+H"	84.054008
"1000711"	154.565676	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+2ACN+2H"	84.067652
"1600681"	310.032328	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+K+HCOOH"	84.968628
"1425247"	340.063838	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+H+CF3COOH"	115.000138
"1155536"	175.078951	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+3ACN+2H"	125.094202
"1706180"	357.090385	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+NH4+CF3COOH"	132.026685
"1649366"	362.04578	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+Na+CF3COOH"	136.98208
"1579670"	378.01972	"C18054"	"2-Amino-2-deoxyisochorismate;(2S)-2-Amino-4-deoxychorismate"	"C10H11NO5"	"225.0637"	"M+K+CF3COOH"	152.95602
"804566"	301.0563	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M"	0
"974816"	282.03791	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H2O-H"	-19.01839
"65246"	199.696924	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-3H"	-3.021828
"503833"	300.049024	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-3H"	-3.021828
"883697"	99.344824	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-3H"	-3.021828
"284"	300.049024	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H"	-2.014552
"440056"	450.577174	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H"	-2.014552
"817203"	149.520874	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H"	-2.014552
"80726"	601.105324	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H"	-1.007276
"523574"	902.161624	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H"	-1.007276
"901372"	300.049024	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H"	-1.007276
"48576"	618.131871	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+NH4"	16.019271
"488500"	919.188171	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+NH4"	16.019271
"866911"	317.075571	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+NH4"	16.019271
"32623"	623.087266	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+Na"	20.974666
"472183"	924.143566	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+Na"	20.974666
"849618"	322.030966	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+Na"	20.974666
"1618547"	322.030966	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na-2H"	20.974666
"95320"	318.037363	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H+Cl"	33.962126
"537798"	468.565513	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H+Cl"	33.962126
"927663"	167.509213	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+Cl"	33.962126
"268775"	637.082002	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Cl"	34.969402
"663384"	938.138302	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Cl"	34.969402
"1279803"	336.025702	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl"	34.969402
"21266"	639.061206	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+K"	36.948606
"459730"	940.117506	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+K"	36.948606
"837535"	338.004906	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+K"	36.948606
"1565402"	338.004906	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K-2H"	36.948606
"955473"	346.054494	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+HCOOH"	44.998194
"375876"	647.110801	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+HCOOH-H"	44.998201
"355385"	661.126451	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Hac-H"	59.013851
"1496564"	360.070151	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Hac-H"	59.013851
"961918"	368.036451	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+NaCOOH"	66.980151
"113011"	336.025702	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Cl"	69.938804
"556945"	486.553852	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Cl"	69.938804
"1029024"	185.497552	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Cl"	69.938804
"1247508"	379.975185	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Br"	78.918885
"1307770"	382.031172	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+HCOOH"	80.974872
"1322713"	404.013129	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+NaCOOH"	102.956829
"911584"	414.041886	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+CF3COOH"	112.985586
"1288573"	450.018564	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+CF3COOH"	148.962264
"1372289"	266.043624	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-2H2O"	-35.012676
"1383590"	284.0536	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-H2O"	-17.0027
"289478"	603.119876	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H"	1.007276
"687736"	904.176176	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H"	1.007276
"1363719"	302.063576	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H"	1.007276
"133327"	302.063576	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2H"	2.014552
"572886"	452.591726	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2H"	2.014552
"1042779"	151.535426	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H"	2.014552
"217975"	201.711476	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H"	3.021828
"657776"	302.063576	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+3H"	3.021828
"1175664"	101.359376	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3H"	3.021828
"439181"	620.146423	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+NH4"	18.033823
"799934"	921.202723	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+NH4"	18.033823
"1691158"	319.090123	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4"	18.033823
"335063"	310.5768495	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+NH4"	19.041099
"730769"	461.1049995	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+NH4"	19.041099
"1484590"	160.0486995	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+NH4"	19.041099
"398895"	625.101818	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na"	22.989218
"759888"	926.158118	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na"	22.989218
"1607987"	324.045518	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na"	22.989218
"320212"	313.054547	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+Na"	23.996494
"710444"	463.582697	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+Na"	23.996494
"1463292"	162.526397	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+Na"	23.996494
"1055320"	108.68669	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H+Na"	25.00377
"1266839"	334.089786	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+CH3OH+H"	33.033486
"388695"	641.075758	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+K"	38.963158
"738877"	942.132058	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+K"	38.963158
"1540810"	340.019458	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K"	38.963158
"302368"	321.041517	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+K"	39.970434
"691623"	471.569667	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+K"	39.970434
"1454080"	170.513367	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+K"	39.970434
"249247"	644.146426	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+H"	42.033826
"1217583"	343.090126	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+H"	42.033826
"1203651"	172.048701	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+2H"	43.041102
"201625"	647.08376	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na-H"	44.97116
"640466"	948.14006	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na-H"	44.97116
"1141783"	346.02746	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na-H"	44.97116
"185071"	324.045518	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na"	45.978436
"620256"	474.573668	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na"	45.978436
"1123033"	173.517368	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na"	45.978436
"1402544"	116.014004	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+2Na"	46.985712
"1435029"	348.069046	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+HCOOH"	47.012746
"232380"	329.07854	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H2O+2H"	56.04448
"1517166"	362.12109	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+H"	61.06479
"416851"	332.032488	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na+K"	61.952376
"776751"	482.560638	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na+K"	61.952376
"1669434"	181.504338	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+K"	61.952376
"258511"	666.128368	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+Na"	64.015768
"1230853"	365.072068	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+Na"	64.015768
"1713659"	365.095593	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+HCOOH"	64.039293
"1189839"	123.341318	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3Na"	68.967654
"1659734"	370.050988	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+HCOOH"	68.994688
"168781"	679.03164	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K-H"	76.91904
"612240"	980.08794	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K-H"	76.91904
"1099672"	377.97534	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K-H"	76.91904
"157058"	340.019458	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K"	77.926316
"594703"	490.547608	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K"	77.926316
"1083954"	189.491308	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K"	77.926316
"1111331"	379.989892	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K+H"	78.933592
"1350268"	380.077507	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+DMSO+H"	79.021207
"1011876"	384.116676	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+H"	83.060376
"1534376"	385.110308	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+Na+H"	84.054008
"1004102"	192.561976	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+2H"	84.067652
"1601522"	386.024928	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+HCOOH"	84.968628
"1427180"	416.056438	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+CF3COOH"	115.000138
"1156740"	213.075251	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3ACN+2H"	125.094202
"1706290"	433.082985	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+CF3COOH"	132.026685
"1649805"	438.03838	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+CF3COOH"	136.98208
"1579780"	454.01232	"C18055"	"N-Acetyl-alpha-D-hexosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+CF3COOH"	152.95602
"810144"	273.1477	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M"	0
"978207"	254.12931	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-H2O-H"	-19.01839
"65356"	181.091190666667	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M-3H"	-3.021828
"503822"	272.140424	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M-3H"	-3.021828
"880892"	90.0419573333333	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-3H"	-3.021828
"391"	272.140424	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M-2H"	-2.014552
"440491"	408.714274	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M-2H"	-2.014552
"817557"	135.566574	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-2H"	-2.014552
"81201"	545.288124	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M-H"	-1.007276
"523684"	818.435824	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M-H"	-1.007276
"899660"	272.140424	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-H"	-1.007276
"48686"	562.314671	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M-2H+NH4"	16.019271
"488488"	835.462371	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M-2H+NH4"	16.019271
"865804"	289.166971	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-2H+NH4"	16.019271
"33462"	567.270066	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M-2H+Na"	20.974666
"474116"	840.417766	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M-2H+Na"	20.974666
"848713"	294.122366	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-2H+Na"	20.974666
"1618494"	294.122366	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Na-2H"	20.974666
"95430"	290.128763	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M-H+Cl"	33.962126
"537908"	426.702613	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M-H+Cl"	33.962126
"928502"	153.554913	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-H+Cl"	33.962126
"269247"	581.264802	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+Cl"	34.969402
"662400"	854.412502	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+Cl"	34.969402
"1278820"	308.117102	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Cl"	34.969402
"20282"	583.244006	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M-2H+K"	36.948606
"456112"	856.391706	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M-2H+K"	36.948606
"842022"	310.096306	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-2H+K"	36.948606
"1566606"	310.096306	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+K-2H"	36.948606
"955583"	318.145894	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-H+HCOOH"	44.998194
"371611"	591.293601	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+HCOOH-H"	44.998201
"352214"	605.309251	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+Hac-H"	59.013851
"1502141"	332.161551	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Hac-H"	59.013851
"967494"	340.127851	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-H+NaCOOH"	66.980151
"113121"	308.117102	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+2Cl"	69.938804
"554868"	444.690952	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+2Cl"	69.938804
"1026218"	171.543252	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2Cl"	69.938804
"1245431"	352.066585	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Br"	78.918885
"1308973"	354.122572	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Cl+HCOOH"	80.974872
"1322459"	376.104529	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Cl+NaCOOH"	102.956829
"911427"	386.133286	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M-H+CF3COOH"	112.985586
"1288551"	422.109964	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Cl+CF3COOH"	148.962264
"1367740"	238.135024	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H-2H2O"	-35.012676
"1383050"	256.145	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H-H2O"	-17.0027
"288495"	547.302676	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+H"	1.007276
"688574"	820.450376	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+H"	1.007276
"1362736"	274.154976	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H"	1.007276
"133437"	274.154976	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+2H"	2.014552
"571903"	410.728826	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+2H"	2.014552
"1042889"	137.581126	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2H"	2.014552
"218085"	183.105742666667	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+3H"	3.021828
"657886"	274.154976	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+3H"	3.021828
"1176625"	92.0565093333333	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+3H"	3.021828
"437834"	564.329223	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+NH4"	18.033823
"799923"	837.476923	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+NH4"	18.033823
"1691268"	291.181523	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+NH4"	18.033823
"337360"	282.6682495	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+H+NH4"	19.041099
"729785"	419.2420995	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+H+NH4"	19.041099
"1484700"	146.0943995	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H+NH4"	19.041099
"397911"	569.284618	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+Na"	22.989218
"761092"	842.432318	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+Na"	22.989218
"1608097"	296.136918	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Na"	22.989218
"319228"	285.145947	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+H+Na"	23.996494
"710554"	421.719797	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+H+Na"	23.996494
"1461402"	148.572097	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H+Na"	23.996494
"1058710"	99.3838233333333	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2H+Na"	25.00377
"1265856"	306.181186	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+CH3OH+H"	33.033486
"387712"	585.258558	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+K"	38.963158
"739594"	858.406258	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+K"	38.963158
"1539985"	312.110858	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+K"	38.963158
"302478"	293.132917	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+H+K"	39.970434
"691979"	429.706767	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+H+K"	39.970434
"1454190"	156.559067	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H+K"	39.970434
"247169"	588.329226	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+ACN+H"	42.033826
"1218786"	315.181526	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+ACN+H"	42.033826
"1199387"	158.094401	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+ACN+2H"	43.041102
"198819"	591.26656	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+2Na-H"	44.97116
"638754"	864.41426	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+2Na-H"	44.97116
"1139704"	318.11886	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2Na-H"	44.97116
"182993"	296.136918	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+2Na"	45.978436
"615989"	432.710768	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+2Na"	45.978436
"1119495"	159.563068	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2Na"	45.978436
"1402289"	106.711137333333	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H+2Na"	46.985712
"1434772"	320.160446	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H+HCOOH"	47.012746
"224469"	301.16994	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+3H2O+2H"	56.04448
"1515085"	334.21249	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+IsoProp+H"	61.06479
"415868"	304.123888	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+Na+K"	61.952376
"773579"	440.697738	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+Na+K"	61.952376
"1668449"	167.550038	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Na+K"	61.952376
"256799"	610.311168	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+ACN+Na"	64.015768
"1229506"	337.163468	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+ACN+Na"	64.015768
"1713324"	337.186993	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+NH4+HCOOH"	64.039293
"1191408"	114.038451333333	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+3Na"	68.967654
"1660936"	342.142388	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Na+HCOOH"	68.994688
"167795"	623.21444	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+2K-H"	76.91904
"611377"	896.36214	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+2K-H"	76.91904
"1098925"	350.06674	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2K-H"	76.91904
"156755"	312.110858	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"2M+2K"	77.926316
"594571"	448.684708	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"3M+2K"	77.926316
"1083909"	175.537008	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2K"	77.926316
"1111441"	352.081292	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2K+H"	78.933592
"1350787"	352.168907	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+DMSO+H"	79.021207
"1013080"	356.208076	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2ACN+H"	83.060376
"1533393"	357.201708	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+IsoProp+Na+H"	84.054008
"1003847"	178.607676	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+2ACN+2H"	84.067652
"1601632"	358.116328	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+K+HCOOH"	84.968628
"1427655"	388.147838	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+H+CF3COOH"	115.000138
"1157943"	199.120951	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+3ACN+2H"	125.094202
"1707493"	405.174385	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+NH4+CF3COOH"	132.026685
"1649343"	410.12978	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+Na+CF3COOH"	136.98208
"1579890"	426.10372	"C18056"	"N-Desmethylzolmitriptan;183C91"	"C15H19N3O2"	"273.1477"	"M+K+CF3COOH"	152.95602
"814268"	1021.5558	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M"	0
"980509"	1002.53741	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-H2O-H"	-19.01839
"66562"	680.029924	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M-3H"	-3.021828
"507216"	1020.548524	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M-3H"	-3.021828
"883923"	339.511324	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-3H"	-3.021828
"12347"	1020.548524	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M-2H"	-2.014552
"445346"	1531.326424	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M-2H"	-2.014552
"823148"	509.770624	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-2H"	-2.014552
"87515"	2042.104324	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M-H"	-1.007276
"528169"	3063.660124	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M-H"	-1.007276
"909377"	1020.548524	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-H"	-1.007276
"60473"	2059.130871	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M-2H+NH4"	16.019271
"500394"	3080.686671	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M-2H+NH4"	16.019271
"875521"	1037.575071	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-2H+NH4"	16.019271
"39046"	2064.086266	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M-2H+Na"	20.974666
"478605"	3085.642066	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M-2H+Na"	20.974666
"855677"	1042.530466	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-2H+Na"	20.974666
"1625942"	1042.530466	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Na-2H"	20.974666
"102471"	1038.536863	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M-H+Cl"	33.962126
"537656"	1549.314763	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M-H+Cl"	33.962126
"930807"	527.758963	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-H+Cl"	33.962126
"279573"	2078.081002	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+Cl"	34.969402
"667619"	3099.636802	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+Cl"	34.969402
"1281116"	1056.525202	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Cl"	34.969402
"24767"	2080.060206	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M-2H+K"	36.948606
"464331"	3101.616006	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M-2H+K"	36.948606
"844324"	1058.504406	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-2H+K"	36.948606
"1570245"	1058.504406	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+K-2H"	36.948606
"955695"	1066.553994	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-H+HCOOH"	44.998194
"372816"	2088.109801	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+HCOOH-H"	44.998201
"358886"	2102.125451	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+Hac-H"	59.013851
"1498970"	1080.569651	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Hac-H"	59.013851
"968697"	1088.535951	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-H+NaCOOH"	66.980151
"117604"	1056.525202	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+2Cl"	69.938804
"560445"	1567.303102	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+2Cl"	69.938804
"1028153"	545.747302	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2Cl"	69.938804
"1246636"	1100.474685	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Br"	78.918885
"1306897"	1102.530672	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Cl+HCOOH"	80.974872
"1320749"	1124.512629	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Cl+NaCOOH"	102.956829
"911802"	1134.541386	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M-H+CF3COOH"	112.985586
"1289482"	1170.518064	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Cl+CF3COOH"	148.962264
"1374703"	986.543124	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H-2H2O"	-35.012676
"1387826"	1004.5531	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H-H2O"	-17.0027
"289701"	2044.118876	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+H"	1.007276
"687960"	3065.674676	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+H"	1.007276
"1361755"	1022.563076	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H"	1.007276
"136830"	1022.563076	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+2H"	2.014552
"580643"	1533.340976	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+2H"	2.014552
"1046282"	511.785176	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2H"	2.014552
"218688"	682.044476	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+3H"	3.021828
"656666"	1022.563076	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+3H"	3.021828
"1176616"	341.525876	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+3H"	3.021828
"439036"	2061.145423	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+NH4"	18.033823
"795052"	3082.701223	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+NH4"	18.033823
"1691384"	1039.589623	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+NH4"	18.033823
"339673"	1031.0763495	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+H+NH4"	19.041099
"733547"	1541.8542495	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+H+NH4"	19.041099
"1482626"	520.2984495	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H+NH4"	19.041099
"404225"	2066.100818	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+Na"	22.989218
"762301"	3087.656618	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+Na"	22.989218
"1607118"	1044.545018	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Na"	22.989218
"318247"	1033.554047	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+H+Na"	23.996494
"710667"	1544.331947	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+H+Na"	23.996494
"1465581"	522.776147	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H+Na"	23.996494
"1055545"	348.85319	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2H+Na"	25.00377
"1262688"	1054.589286	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+CH3OH+H"	33.033486
"377864"	2082.074758	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+K"	38.963158
"738937"	3103.630558	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+K"	38.963158
"1549790"	1060.518958	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+K"	38.963158
"308061"	1041.541017	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+H+K"	39.970434
"699388"	1552.318917	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+H+K"	39.970434
"1450298"	530.763117	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H+K"	39.970434
"241814"	2085.145426	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+ACN+H"	42.033826
"1219995"	1063.589626	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+ACN+H"	42.033826
"1203875"	532.298451	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+ACN+2H"	43.041102
"197849"	2088.08276	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+2Na-H"	44.97116
"635222"	3109.63856	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+2Na-H"	44.97116
"1138726"	1066.52696	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2Na-H"	44.97116
"182016"	1044.545018	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+2Na"	45.978436
"620480"	1555.322918	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+2Na"	45.978436
"1122893"	533.767118	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2Na"	45.978436
"1408607"	356.180504	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H+2Na"	46.985712
"1437440"	1068.568546	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H+HCOOH"	47.012746
"229320"	1049.57804	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+3H2O+2H"	56.04448
"1517389"	1082.62059	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+IsoProp+H"	61.06479
"413792"	1052.531988	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+Na+K"	61.952376
"774787"	1563.309888	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+Na+K"	61.952376
"1675134"	541.754088	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Na+K"	61.952376
"260927"	2107.127368	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+ACN+Na"	64.015768
"1238372"	1085.571568	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+ACN+Na"	64.015768
"1724348"	1085.595093	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+NH4+HCOOH"	64.039293
"1190796"	363.507818	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+3Na"	68.967654
"1661048"	1090.550488	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Na+HCOOH"	68.994688
"160263"	2120.03064	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+2K-H"	76.91904
"607477"	3141.58644	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+2K-H"	76.91904
"1095270"	1098.47484	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2K-H"	76.91904
"149899"	1060.518958	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"2M+2K"	77.926316
"593832"	1571.296858	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"3M+2K"	77.926316
"1072878"	549.741058	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2K"	77.926316
"1104992"	1100.489392	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2K+H"	78.933592
"1340287"	1100.577007	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+DMSO+H"	79.021207
"1009912"	1104.616176	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2ACN+H"	83.060376
"1529128"	1105.609808	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+IsoProp+Na+H"	84.054008
"993388"	552.811726	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+2ACN+2H"	84.067652
"1594453"	1106.524428	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+K+HCOOH"	84.968628
"1421207"	1136.555938	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+H+CF3COOH"	115.000138
"1159148"	573.325001	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+3ACN+2H"	125.094202
"1706515"	1153.582485	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+NH4+CF3COOH"	132.026685
"1648724"	1158.53788	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+Na+CF3COOH"	136.98208
"1580000"	1174.51182	"C18059"	"CDP-23-bis-O-(geranylgeranyl)-sn-glycerol"	"C52H85N3O13P2"	"1021.5558"	"M+K+CF3COOH"	152.95602
"803804"	301.0563	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M"	0
"975148"	282.03791	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H2O-H"	-19.01839
"63384"	199.696924	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-3H"	-3.021828
"503436"	300.049024	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-3H"	-3.021828
"880252"	99.344824	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-3H"	-3.021828
"12457"	300.049024	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H"	-2.014552
"445456"	450.577174	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H"	-2.014552
"823258"	149.520874	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H"	-2.014552
"87625"	601.105324	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H"	-1.007276
"528279"	902.161624	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H"	-1.007276
"909488"	300.049024	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H"	-1.007276
"61434"	618.131871	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+NH4"	16.019271
"500746"	919.188171	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+NH4"	16.019271
"876724"	317.075571	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+NH4"	16.019271
"39156"	623.087266	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+Na"	20.974666
"477257"	924.143566	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+Na"	20.974666
"855787"	322.030966	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+Na"	20.974666
"1626052"	322.030966	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na-2H"	20.974666
"96748"	318.037363	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-H+Cl"	33.962126
"538859"	468.565513	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-H+Cl"	33.962126
"932375"	167.509213	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+Cl"	33.962126
"279681"	637.082002	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Cl"	34.969402
"669918"	938.138302	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Cl"	34.969402
"1281226"	336.025702	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl"	34.969402
"23784"	639.061206	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M-2H+K"	36.948606
"465534"	940.117506	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M-2H+K"	36.948606
"845528"	338.004906	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-2H+K"	36.948606
"1565737"	338.004906	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K-2H"	36.948606
"950338"	346.054494	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+HCOOH"	44.998194
"372926"	647.110801	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+HCOOH-H"	44.998201
"352436"	661.126451	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Hac-H"	59.013851
"1506735"	360.070151	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Hac-H"	59.013851
"973750"	368.036451	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+NaCOOH"	66.980151
"125574"	336.025702	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Cl"	69.938804
"559461"	486.553852	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Cl"	69.938804
"1030447"	185.497552	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Cl"	69.938804
"1247839"	379.975185	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Br"	78.918885
"1312474"	382.031172	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+HCOOH"	80.974872
"1320494"	404.013129	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+NaCOOH"	102.956829
"913372"	414.041886	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M-H+CF3COOH"	112.985586
"1288985"	450.018564	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Cl+CF3COOH"	148.962264
"1376999"	266.043624	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-2H2O"	-35.012676
"1387935"	284.0536	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H-H2O"	-17.0027
"288717"	603.119876	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H"	1.007276
"688796"	904.176176	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H"	1.007276
"1356397"	302.063576	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H"	1.007276
"129283"	302.063576	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2H"	2.014552
"571031"	452.591726	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2H"	2.014552
"1044205"	151.535426	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H"	2.014552
"219163"	201.711476	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H"	3.021828
"659330"	302.063576	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+3H"	3.021828
"1177091"	101.359376	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3H"	3.021828
"439268"	620.146423	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+NH4"	18.033823
"796255"	921.202723	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+NH4"	18.033823
"1688214"	319.090123	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4"	18.033823
"340511"	310.5768495	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+NH4"	19.041099
"734022"	461.1049995	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+NH4"	19.041099
"1486016"	160.0486995	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+NH4"	19.041099
"400323"	625.101818	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na"	22.989218
"762410"	926.158118	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na"	22.989218
"1607228"	324.045518	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na"	22.989218
"317264"	313.054547	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+Na"	23.996494
"712964"	463.582697	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+Na"	23.996494
"1467878"	162.526397	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+Na"	23.996494
"1056746"	108.68669	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2H+Na"	25.00377
"1261705"	334.089786	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+CH3OH+H"	33.033486
"379183"	641.075758	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+K"	38.963158
"739457"	942.132058	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+K"	38.963158
"1550993"	340.019458	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K"	38.963158
"310358"	321.041517	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+H+K"	39.970434
"700591"	471.569667	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+H+K"	39.970434
"1450044"	170.513367	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+K"	39.970434
"244110"	644.146426	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+H"	42.033826
"1220105"	343.090126	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+H"	42.033826
"1206537"	172.048701	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+2H"	43.041102
"192491"	647.08376	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na-H"	44.97116
"635332"	948.14006	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na-H"	44.97116
"1138835"	346.02746	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na-H"	44.97116
"183219"	324.045518	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2Na"	45.978436
"622778"	474.573668	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2Na"	45.978436
"1124097"	173.517368	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2Na"	45.978436
"1410175"	116.014004	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+2Na"	46.985712
"1441926"	348.069046	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+HCOOH"	47.012746
"229430"	329.07854	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+3H2O+2H"	56.04448
"1517500"	362.12109	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+H"	61.06479
"414996"	332.032488	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+Na+K"	61.952376
"775991"	482.560638	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+Na+K"	61.952376
"1669042"	181.504338	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+K"	61.952376
"264318"	666.128368	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+ACN+Na"	64.015768
"1239456"	365.072068	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+ACN+Na"	64.015768
"1726040"	365.095593	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+HCOOH"	64.039293
"1193094"	123.341318	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3Na"	68.967654
"1663954"	370.050988	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+HCOOH"	68.994688
"168028"	679.03164	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K-H"	76.91904
"609774"	980.08794	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K-H"	76.91904
"1096474"	377.97534	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K-H"	76.91904
"155112"	340.019458	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"2M+2K"	77.926316
"595035"	490.547608	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"3M+2K"	77.926316
"1076269"	189.491308	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K"	77.926316
"1110570"	379.989892	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2K+H"	78.933592
"1340398"	380.077507	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+DMSO+H"	79.021207
"1010022"	384.116676	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+H"	83.060376
"1531425"	385.110308	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+IsoProp+Na+H"	84.054008
"997872"	192.561976	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+2ACN+2H"	84.067652
"1594562"	386.024928	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+HCOOH"	84.968628
"1425691"	416.056438	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+H+CF3COOH"	115.000138
"1157072"	213.075251	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+3ACN+2H"	125.094202
"1702251"	433.082985	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+NH4+CF3COOH"	132.026685
"1648470"	438.03838	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+Na+CF3COOH"	136.98208
"1580110"	454.01232	"C18060"	"N-Acetyl-alpha-D-galactosamine 1-phosphate"	"C8H16NO9P"	"301.0563"	"M+K+CF3COOH"	152.95602
"803185"	359.0852	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M"	0
"975257"	340.06681	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-H2O-H"	-19.01839
"63497"	238.382857333333	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M-3H"	-3.021828
"503420"	358.077924	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M-3H"	-3.021828
"880373"	118.687790666667	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-3H"	-3.021828
"12568"	358.077924	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M-2H"	-2.014552
"453222"	537.620524	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M-2H"	-2.014552
"832762"	178.535324	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-2H"	-2.014552
"91017"	717.163124	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M-H"	-1.007276
"533703"	1076.248324	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M-H"	-1.007276
"910328"	358.077924	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-H"	-1.007276
"62597"	734.189671	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M-2H+NH4"	16.019271
"501223"	1093.274871	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M-2H+NH4"	16.019271
"876470"	375.104471	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-2H+NH4"	16.019271
"38172"	739.145066	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M-2H+Na"	20.974666
"479190"	1098.230266	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M-2H+Na"	20.974666
"858817"	380.059866	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-2H+Na"	20.974666
"1631631"	380.059866	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Na-2H"	20.974666
"105972"	376.066263	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M-H+Cl"	33.962126
"542250"	555.608863	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M-H+Cl"	33.962126
"934671"	196.523663	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-H+Cl"	33.962126
"271406"	753.139802	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+Cl"	34.969402
"664559"	1112.225002	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+Cl"	34.969402
"1281338"	394.054602	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Cl"	34.969402
"30463"	755.119006	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M-2H+K"	36.948606
"469661"	1114.204206	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M-2H+K"	36.948606
"846006"	396.033806	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-2H+K"	36.948606
"1569856"	396.033806	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+K-2H"	36.948606
"951542"	404.083394	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-H+HCOOH"	44.998194
"370850"	763.168601	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+HCOOH-H"	44.998201
"356919"	777.184251	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+Hac-H"	59.013851
"1506480"	418.099051	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Hac-H"	59.013851
"970011"	426.065351	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-H+NaCOOH"	66.980151
"121834"	394.054602	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+2Cl"	69.938804
"558479"	573.597202	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+2Cl"	69.938804
"1030559"	214.512002	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2Cl"	69.938804
"1249044"	438.004085	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Br"	78.918885
"1307118"	440.060072	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Cl+HCOOH"	80.974872
"1322426"	462.042029	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Cl+NaCOOH"	102.956829
"912028"	472.070786	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M-H+CF3COOH"	112.985586
"1303323"	508.047464	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Cl+CF3COOH"	148.962264
"1378203"	324.072524	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H-2H2O"	-35.012676
"1393515"	342.0825	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H-H2O"	-17.0027
"298150"	719.177676	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+H"	1.007276
"690732"	1078.262876	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+H"	1.007276
"1365982"	360.092476	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H"	1.007276
"133768"	360.092476	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+2H"	2.014552
"575512"	539.635076	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+2H"	2.014552
"1052102"	180.549876	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2H"	2.014552
"218667"	240.397409333333	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+3H"	3.021828
"657251"	360.092476	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+3H"	3.021828
"1176833"	120.702342666667	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+3H"	3.021828
"439020"	736.204223	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+NH4"	18.033823
"800017"	1095.289423	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+NH4"	18.033823
"1694166"	377.119023	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+NH4"	18.033823
"343171"	368.6057495	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+H+NH4"	19.041099
"733403"	548.1483495	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+H+NH4"	19.041099
"1488316"	189.0631495	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H+NH4"	19.041099
"398247"	741.159618	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+Na"	22.989218
"761428"	1100.244818	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+Na"	22.989218
"1607339"	382.074418	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Na"	22.989218
"317374"	371.083447	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+H+Na"	23.996494
"709793"	550.626047	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+H+Na"	23.996494
"1465801"	191.540847	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H+Na"	23.996494
"1060140"	128.029656666667	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2H+Na"	25.00377
"1258417"	392.118686	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+CH3OH+H"	33.033486
"386595"	757.133558	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+K"	38.963158
"750147"	1116.218758	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+K"	38.963158
"1544544"	398.048358	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+K"	38.963158
"308281"	379.070417	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+H+K"	39.970434
"698520"	558.613017	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+H+K"	39.970434
"1453435"	199.527817	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H+K"	39.970434
"247511"	760.204226	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+ACN+H"	42.033826
"1224347"	401.119026	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+ACN+H"	42.033826
"1203009"	201.063151	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+ACN+2H"	43.041102
"196974"	763.14156	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+2Na-H"	44.97116
"634347"	1122.22676	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+2Na-H"	44.97116
"1141132"	404.05636	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2Na-H"	44.97116
"181143"	382.074418	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+2Na"	45.978436
"621795"	561.617018	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+2Na"	45.978436
"1126396"	202.531818	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2Na"	45.978436
"1411985"	135.356970666667	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H+2Na"	46.985712
"1440941"	406.097946	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H+HCOOH"	47.012746
"229546"	387.10744	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+3H2O+2H"	56.04448
"1518703"	420.14999	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+IsoProp+H"	61.06479
"416200"	390.061388	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+Na+K"	61.952376
"780476"	569.603988	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+Na+K"	61.952376
"1677906"	210.518788	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Na+K"	61.952376
"262967"	782.186168	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+ACN+Na"	64.015768
"1237135"	423.100968	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+ACN+Na"	64.015768
"1726021"	423.124493	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+NH4+HCOOH"	64.039293
"1193563"	142.684284666667	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+3Na"	68.967654
"1659090"	428.079888	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Na+HCOOH"	68.994688
"168138"	795.08944	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+2K-H"	76.91904
"604416"	1154.17464	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+2K-H"	76.91904
"1090023"	436.00424	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2K-H"	76.91904
"150118"	398.048358	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"2M+2K"	77.926316
"585669"	577.590958	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"3M+2K"	77.926316
"1075285"	218.505758	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2K"	77.926316
"1106309"	438.018792	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2K+H"	78.933592
"1340508"	438.106407	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+DMSO+H"	79.021207
"1013412"	442.145576	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2ACN+H"	83.060376
"1530443"	443.139208	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+IsoProp+Na+H"	84.054008
"997985"	221.576426	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+2ACN+2H"	84.067652
"1594676"	444.053828	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+K+HCOOH"	84.968628
"1423614"	474.085338	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+H+CF3COOH"	115.000138
"1157186"	242.089701	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+3ACN+2H"	125.094202
"1705642"	491.111885	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+NH4+CF3COOH"	132.026685
"1642385"	496.06728	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+Na+CF3COOH"	136.98208
"1580222"	512.04122	"C18062"	"TRIBOA-glucoside;247-Trihydroxy-14-benzoxazin-3-one-glucoside;247-Trihydroxy-2H-14-benzoxazin-3(4H)-one-glucoside"	"C14H17NO10"	"359.0852"	"M+K+CF3COOH"	152.95602
"810586"	578.2529	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M"	0
"975368"	559.23451	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-H2O-H"	-19.01839
"64337"	384.494657333333	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M-3H"	-3.021828
"504263"	577.245624	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M-3H"	-3.021828
"881453"	191.743690666667	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-3H"	-3.021828
"15313"	577.245624	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M-2H"	-2.014552
"453332"	866.372074	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M-2H"	-2.014552
"832274"	288.119174	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-2H"	-2.014552
"93682"	1155.498524	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M-H"	-1.007276
"533856"	1733.751424	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M-H"	-1.007276
"910688"	577.245624	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-H"	-1.007276
"62670"	1172.525071	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M-2H+NH4"	16.019271
"502065"	1750.777971	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M-2H+NH4"	16.019271
"878404"	594.272171	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-2H+NH4"	16.019271
"37190"	1177.480466	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M-2H+Na"	20.974666
"481124"	1755.733366	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M-2H+Na"	20.974666
"856741"	599.227566	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-2H+Na"	20.974666
"1630648"	599.227566	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Na-2H"	20.974666
"103896"	595.233963	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M-H+Cl"	33.962126
"540538"	884.360413	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M-H+Cl"	33.962126
"936969"	306.107513	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-H+Cl"	33.962126
"274434"	1191.475202	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+Cl"	34.969402
"674148"	1769.728102	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+Cl"	34.969402
"1286915"	613.222302	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Cl"	34.969402
"29359"	1193.454406	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M-2H+K"	36.948606
"469771"	1771.707306	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M-2H+K"	36.948606
"846844"	615.201506	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-2H+K"	36.948606
"1569966"	615.201506	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+K-2H"	36.948606
"958012"	623.251094	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-H+HCOOH"	44.998194
"375333"	1201.504001	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+HCOOH-H"	44.998201
"361379"	1215.519651	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+Hac-H"	59.013851
"1506954"	637.266751	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Hac-H"	59.013851
"973730"	645.233051	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-H+NaCOOH"	66.980151
"125583"	613.222302	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+2Cl"	69.938804
"561869"	902.348752	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+2Cl"	69.938804
"1032855"	324.095852	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2Cl"	69.938804
"1256442"	657.171785	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Br"	78.918885
"1307956"	659.227772	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Cl+HCOOH"	80.974872
"1322900"	681.209729	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Cl+NaCOOH"	102.956829
"911893"	691.238486	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M-H+CF3COOH"	112.985586
"1291037"	727.215164	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Cl+CF3COOH"	148.962264
"1369199"	543.240224	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H-2H2O"	-35.012676
"1396905"	561.2502	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H-H2O"	-17.0027
"296961"	1157.513076	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+H"	1.007276
"689749"	1735.765976	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+H"	1.007276
"1366660"	579.260176	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H"	1.007276
"134971"	579.260176	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+2H"	2.014552
"574531"	868.386626	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+2H"	2.014552
"1052457"	290.133726	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2H"	2.014552
"219142"	386.509209333333	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+3H"	3.021828
"658454"	579.260176	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+3H"	3.021828
"1176579"	193.758242666667	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+3H"	3.021828
"438766"	1174.539623	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+NH4"	18.033823
"800736"	1752.792523	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+NH4"	18.033823
"1692819"	596.286723	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+NH4"	18.033823
"341823"	587.7734495	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+H+NH4"	19.041099
"735700"	876.8998995	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+H+NH4"	19.041099
"1488426"	298.6469995	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H+NH4"	19.041099
"400544"	1179.495018	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+Na"	22.989218
"764818"	1757.747918	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+Na"	22.989218
"1609636"	601.242118	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Na"	22.989218
"317484"	590.251147	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+H+Na"	23.996494
"708809"	879.377597	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+H+Na"	23.996494
"1465911"	301.124697	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H+Na"	23.996494
"1056970"	201.085556666667	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2H+Na"	25.00377
"1258406"	611.286386	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+CH3OH+H"	33.033486
"384882"	1195.468958	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+K"	38.963158
"748069"	1773.721858	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+K"	38.963158
"1547934"	617.216058	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+K"	38.963158
"308389"	598.238117	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+H+K"	39.970434
"701910"	887.364567	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+H+K"	39.970434
"1455731"	309.111667	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H+K"	39.970434
"246521"	1198.539626	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+ACN+H"	42.033826
"1225025"	620.286726	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+ACN+H"	42.033826
"1205309"	310.647001	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+ACN+2H"	43.041102
"201095"	1201.47696	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+2Na-H"	44.97116
"638831"	1779.72986	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+2Na-H"	44.97116
"1142337"	623.22406	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2Na-H"	44.97116
"184533"	601.242118	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+2Na"	45.978436
"624093"	890.368568	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+2Na"	45.978436
"1128693"	312.115668	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2Na"	45.978436
"1411122"	208.412870666667	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H+2Na"	46.985712
"1441051"	625.265646	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H+HCOOH"	47.012746
"229655"	606.27514	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+3H2O+2H"	56.04448
"1522822"	639.31769	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+IsoProp+H"	61.06479
"418497"	609.229088	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+Na+K"	61.952376
"780586"	898.355538	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+Na+K"	61.952376
"1679112"	320.102638	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Na+K"	61.952376
"263808"	1220.521568	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+ACN+Na"	64.015768
"1236882"	642.268668	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+ACN+Na"	64.015768
"1726135"	642.292193	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+NH4+HCOOH"	64.039293
"1192218"	215.740184666667	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+3Na"	68.967654
"1655917"	647.247588	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Na+HCOOH"	68.994688
"164967"	1233.42484	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+2K-H"	76.91904
"604526"	1811.67774	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+2K-H"	76.91904
"1090133"	655.17194	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2K-H"	76.91904
"151321"	617.216058	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"2M+2K"	77.926316
"583230"	906.342508	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"3M+2K"	77.926316
"1080863"	328.089608	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2K"	77.926316
"1108606"	657.186492	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2K+H"	78.933592
"1340618"	657.274107	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+DMSO+H"	79.021207
"1012429"	661.313276	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2ACN+H"	83.060376
"1531645"	662.306908	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+IsoProp+Na+H"	84.054008
"995908"	331.160276	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+2ACN+2H"	84.067652
"1594785"	663.221528	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+K+HCOOH"	84.968628
"1422631"	693.253038	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+H+CF3COOH"	115.000138
"1152922"	351.673551	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+3ACN+2H"	125.094202
"1702471"	710.279585	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+NH4+CF3COOH"	132.026685
"1645775"	715.23498	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+Na+CF3COOH"	136.98208
"1580332"	731.20892	"C18063"	"C-13(2)-Carboxypyropheophorbide a;C-13(2)-Carboxylpyropheophorbide a"	"C34H34N4O5"	"578.2529"	"M+K+CF3COOH"	152.95602
"802068"	534.2631	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M"	0
"974243"	515.24471	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-H2O-H"	-19.01839
"62884"	355.168124	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M-3H"	-3.021828
"503061"	533.255824	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M-3H"	-3.021828
"879949"	177.080424	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-3H"	-3.021828
"10601"	533.255824	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M-2H"	-2.014552
"453442"	800.387374	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M-2H"	-2.014552
"832673"	266.124274	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-2H"	-2.014552
"89049"	1067.518924	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M-H"	-1.007276
"534173"	1601.782024	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M-H"	-1.007276
"911345"	533.255824	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-H"	-1.007276
"62534"	1084.545471	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M-2H+NH4"	16.019271
"502663"	1618.808571	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M-2H+NH4"	16.019271
"877055"	550.282371	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-2H+NH4"	16.019271
"36935"	1089.500866	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M-2H+Na"	20.974666
"474307"	1623.763966	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M-2H+Na"	20.974666
"856851"	555.237766	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-2H+Na"	20.974666
"1630393"	555.237766	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Na-2H"	20.974666
"99631"	551.244163	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M-H+Cl"	33.962126
"535909"	818.375713	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M-H+Cl"	33.962126
"928086"	284.112613	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-H+Cl"	33.962126
"269440"	1103.495602	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+Cl"	34.969402
"664779"	1637.758702	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+Cl"	34.969402
"1277547"	569.232502	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Cl"	34.969402
"28862"	1105.474806	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M-2H+K"	36.948606
"469517"	1639.737906	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M-2H+K"	36.948606
"848054"	571.211706	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-2H+K"	36.948606
"1568619"	571.211706	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+K-2H"	36.948606
"956504"	579.261294	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-H+HCOOH"	44.998194
"373987"	1113.524401	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+HCOOH-H"	44.998201
"361284"	1127.540051	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+Hac-H"	59.013851
"1506702"	593.276951	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Hac-H"	59.013851
"973151"	601.243251	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-H+NaCOOH"	66.980151
"124246"	569.232502	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+2Cl"	69.938804
"563072"	836.364052	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+2Cl"	69.938804
"1035880"	302.100952	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2Cl"	69.938804
"1256188"	613.181985	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Br"	78.918885
"1314989"	615.237972	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Cl+HCOOH"	80.974872
"1321917"	637.219929	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Cl+NaCOOH"	102.956829
"911883"	647.248686	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M-H+CF3COOH"	112.985586
"1292606"	683.225364	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Cl+CF3COOH"	148.962264
"1371861"	499.250424	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H-2H2O"	-35.012676
"1384985"	517.2604	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H-H2O"	-17.0027
"297069"	1069.533476	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+H"	1.007276
"689123"	1603.796576	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+H"	1.007276
"1360005"	535.270376	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H"	1.007276
"137268"	535.270376	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+2H"	2.014552
"574641"	802.401926	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+2H"	2.014552
"1050743"	268.138826	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2H"	2.014552
"216818"	357.182676	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+3H"	3.021828
"656742"	535.270376	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+3H"	3.021828
"1177419"	179.094976	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+3H"	3.021828
"436686"	1086.560023	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+NH4"	18.033823
"798777"	1620.823123	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+NH4"	18.033823
"1694747"	552.296923	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+NH4"	18.033823
"341930"	543.7836495	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+H+NH4"	19.041099
"730341"	810.9151995	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+H+NH4"	19.041099
"1486348"	276.6520995	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H+NH4"	19.041099
"399561"	1091.515418	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+Na"	22.989218
"763836"	1625.778518	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+Na"	22.989218
"1607559"	557.252318	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Na"	22.989218
"315771"	546.261347	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+H+Na"	23.996494
"711107"	813.392897	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+H+Na"	23.996494
"1464928"	279.129797	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H+Na"	23.996494
"1054284"	186.42229	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2H+Na"	25.00377
"1258031"	567.296586	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+CH3OH+H"	33.033486
"387180"	1107.489358	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+K"	38.963158
"748175"	1641.752458	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+K"	38.963158
"1546946"	573.226258	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+K"	38.963158
"303031"	554.248317	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+H+K"	39.970434
"702020"	821.379867	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+H+K"	39.970434
"1451467"	287.116767	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H+K"	39.970434
"244442"	1110.560026	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+ACN+H"	42.033826
"1221527"	576.296926	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+ACN+H"	42.033826
"1208337"	288.652101	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+ACN+2H"	43.041102
"201935"	1113.49736	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+2Na-H"	44.97116
"642224"	1647.76046	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+2Na-H"	44.97116
"1144639"	579.23426	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2Na-H"	44.97116
"187565"	557.252318	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+2Na"	45.978436
"624203"	824.383868	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+2Na"	45.978436
"1130265"	290.120768	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2Na"	45.978436
"1412326"	193.749604	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H+2Na"	46.985712
"1444442"	581.275846	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H+HCOOH"	47.012746
"235113"	562.28534	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+3H2O+2H"	56.04448
"1523299"	595.32789	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+IsoProp+H"	61.06479
"421887"	565.239288	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+Na+K"	61.952376
"782883"	832.370838	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+Na+K"	61.952376
"1680681"	298.107738	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Na+K"	61.952376
"266107"	1132.541968	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+ACN+Na"	64.015768
"1239909"	598.278868	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+ACN+Na"	64.015768
"1727949"	598.302393	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+NH4+HCOOH"	64.039293
"1193954"	201.076918	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+3Na"	68.967654
"1662588"	603.257788	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Na+HCOOH"	68.994688
"167263"	1145.44524	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+2K-H"	76.91904
"604637"	1679.70834	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+2K-H"	76.91904
"1092430"	611.18214	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2K-H"	76.91904
"153620"	573.226258	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"2M+2K"	77.926316
"586620"	840.357808	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"3M+2K"	77.926316
"1083039"	306.094708	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2K"	77.926316
"1108719"	613.196692	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2K+H"	78.933592
"1339637"	613.284307	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+DMSO+H"	79.021207
"1012537"	617.323476	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2ACN+H"	83.060376
"1531756"	618.317108	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+IsoProp+Na+H"	84.054008
"997110"	309.165376	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+2ACN+2H"	84.067652
"1593800"	619.231728	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+K+HCOOH"	84.968628
"1421648"	649.263238	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+H+CF3COOH"	115.000138
"1153031"	329.678651	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+3ACN+2H"	125.094202
"1702581"	666.289785	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+NH4+CF3COOH"	132.026685
"1648072"	671.24518	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+Na+CF3COOH"	136.98208
"1580442"	687.21912	"C18064"	"Pyropheophorbide a"	"C33H34N4O3"	"534.2631"	"M+K+CF3COOH"	152.95602
"802058"	170.1307	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M"	0
"974314"	151.11231	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"63001"	112.413190666667	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"504114"	169.123424	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"880460"	55.7029573333333	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"9616"	169.123424	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"454281"	254.188774	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"831360"	84.058074	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"88066"	339.254124	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"532000"	509.384824	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"909807"	169.123424	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"62481"	356.280671	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"501798"	526.411371	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"877165"	186.149971	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"34858"	361.236066	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"475511"	531.366766	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"855867"	191.105366	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1626493"	191.105366	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"96825"	187.111763	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"536017"	272.177113	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"928802"	102.046413	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"270279"	375.230802	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"661973"	545.361502	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1280573"	205.100102	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"30307"	377.210006	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"468168"	547.340706	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"848269"	207.079306	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1566177"	207.079306	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"955152"	215.128894	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"374826"	385.259601	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"361024"	399.275251	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1507174"	229.144551	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"972896"	237.110851	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"125085"	205.100102	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"563910"	290.165452	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1034167"	120.034752	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1253745"	249.049585	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1315099"	251.105572	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1322755"	273.087529	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"914178"	283.116286	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1289677"	319.092964	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1368691"	135.118024	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1385095"	153.128	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"297422"	341.268676	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"685953"	511.399376	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1359022"	171.137976	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"134098"	171.137976	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"571471"	256.203326	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1051580"	86.072626	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"218020"	114.427742666667	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"655393"	171.137976	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1177527"	57.7175093333333	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"438612"	358.295223	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"798523"	528.425923	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1693033"	188.164523	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"341311"	179.6512495	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"726440"	264.7165995	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1487551"	94.5858995	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"400764"	363.250618	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"761757"	533.381318	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1606576"	193.119918	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"315030"	182.128947	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"707407"	267.194297	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1461440"	97.063597	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1055001"	65.0448233333333	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1257101"	203.164186	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"377403"	379.224558	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"746098"	549.355258	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1541952"	209.093858	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"301679"	190.115917	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"699943"	275.181267	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1450483"	105.050567	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"241272"	382.295226	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1219450"	212.164526	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1205165"	106.585901	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"201316"	385.23256	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"640146"	555.36326	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1144382"	215.10186	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"186580"	193.119918	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"624313"	278.185268	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1129644"	108.054568	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1410249"	72.3721373333333	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1444553"	217.143446	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"235662"	198.15294	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1523936"	231.19549	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"418717"	201.106888	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"781900"	286.172238	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1674950"	116.041538	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"264027"	404.277168	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1238196"	234.146468	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1727448"	234.169993	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1193412"	79.6994513333333	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1661605"	239.125388	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"166279"	417.18044	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"605839"	587.31114	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1092540"	247.04974	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"151543"	209.093858	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"586730"	294.159208	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1077802"	124.028508	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1108829"	249.064292	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1339747"	249.151907	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1011554"	253.191076	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1530772"	254.184708	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"996127"	127.099176	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1590631"	255.099328	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1420664"	285.130838	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1150954"	147.612451	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1700504"	302.157385	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1641622"	307.11278	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1580552"	323.08672	"C18066"	"7-Isopropyl-4-methyloxepan-2-one"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"804355"	188.1412	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M"	0
"975334"	169.12281	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-H2O-H"	-19.01839
"63330"	124.420190666667	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M-3H"	-3.021828
"503536"	187.133924	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M-3H"	-3.021828
"880812"	61.7064573333333	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-3H"	-3.021828
"9726"	187.133924	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M-2H"	-2.014552
"454391"	281.204524	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M-2H"	-2.014552
"830983"	93.063324	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-2H"	-2.014552
"88176"	375.275124	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M-H"	-1.007276
"531747"	563.416324	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M-H"	-1.007276
"910161"	187.133924	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-H"	-1.007276
"61256"	392.301671	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M-2H+NH4"	16.019271
"500936"	580.442871	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M-2H+NH4"	16.019271
"875088"	204.160471	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-2H+NH4"	16.019271
"34239"	397.257066	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M-2H+Na"	20.974666
"473434"	585.398266	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M-2H+Na"	20.974666
"855977"	209.115866	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-2H+Na"	20.974666
"1623323"	209.115866	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Na-2H"	20.974666
"95475"	205.122263	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M-H+Cl"	33.962126
"536493"	299.192863	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M-H+Cl"	33.962126
"928546"	111.051663	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-H+Cl"	33.962126
"268324"	411.251802	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+Cl"	34.969402
"661719"	599.393002	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+Cl"	34.969402
"1281776"	223.110602	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Cl"	34.969402
"29446"	413.231006	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M-2H+K"	36.948606
"467914"	601.372206	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M-2H+K"	36.948606
"846812"	225.089806	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-2H+K"	36.948606
"1566287"	225.089806	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+K-2H"	36.948606
"955264"	233.139394	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-H+HCOOH"	44.998194
"376396"	421.280601	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+HCOOH-H"	44.998201
"361011"	435.296251	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+Hac-H"	59.013851
"1508018"	247.155051	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Hac-H"	59.013851
"971912"	255.121351	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-H+NaCOOH"	66.980151
"121912"	223.110602	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+2Cl"	69.938804
"562563"	317.181202	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+2Cl"	69.938804
"1035372"	129.040002	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2Cl"	69.938804
"1253855"	267.060085	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Br"	78.918885
"1315209"	269.116072	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Cl+HCOOH"	80.974872
"1322866"	291.098029	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Cl+NaCOOH"	102.956829
"914288"	301.126786	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M-H+CF3COOH"	112.985586
"1289213"	337.103464	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Cl+CF3COOH"	148.962264
"1369894"	153.128524	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H-2H2O"	-35.012676
"1383172"	171.1385	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H-H2O"	-17.0027
"292546"	377.289676	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+H"	1.007276
"686061"	565.430876	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+H"	1.007276
"1359131"	189.148476	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H"	1.007276
"134208"	189.148476	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+2H"	2.014552
"571581"	283.219076	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+2H"	2.014552
"1051569"	95.077876	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2H"	2.014552
"214850"	126.434742666667	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+3H"	3.021828
"655503"	189.148476	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+3H"	3.021828
"1176543"	63.7210093333333	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+3H"	3.021828
"435804"	394.316223	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+NH4"	18.033823
"799715"	582.457423	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+NH4"	18.033823
"1690952"	206.175023	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+NH4"	18.033823
"342150"	197.6617495	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+H+NH4"	19.041099
"725457"	291.7323495	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+H+NH4"	19.041099
"1485474"	103.5911495	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H+NH4"	19.041099
"400874"	399.271618	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+Na"	22.989218
"760774"	587.412818	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+Na"	22.989218
"1606685"	211.130418	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Na"	22.989218
"314308"	200.139447	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+H+Na"	23.996494
"707306"	294.210047	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+H+Na"	23.996494
"1463320"	106.068847	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H+Na"	23.996494
"1053772"	71.0483233333333	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2H+Na"	25.00377
"1257878"	221.174686	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+CH3OH+H"	33.033486
"378033"	415.245558	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+K"	38.963158
"744021"	603.386758	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+K"	38.963158
"1542062"	227.104358	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+K"	38.963158
"300696"	208.126417	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+H+K"	39.970434
"700053"	302.197017	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+H+K"	39.970434
"1450593"	114.055817	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H+K"	39.970434
"240289"	418.316226	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+ACN+H"	42.033826
"1221747"	230.175026	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+ACN+H"	42.033826
"1203453"	115.591151	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+ACN+2H"	43.041102
"201059"	421.25356	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+2Na-H"	44.97116
"639528"	609.39476	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+2Na-H"	44.97116
"1141574"	233.11236	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2Na-H"	44.97116
"184499"	211.130418	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+2Na"	45.978436
"615674"	305.201018	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+2Na"	45.978436
"1119181"	117.059818	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2Na"	45.978436
"1403798"	78.3756373333333	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H+2Na"	46.985712
"1437007"	235.153946	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H+HCOOH"	47.012746
"222692"	216.16344	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+3H2O+2H"	56.04448
"1514766"	249.20599	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+IsoProp+H"	61.06479
"415546"	219.117388	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+Na+K"	61.952376
"771434"	313.187988	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+Na+K"	61.952376
"1667037"	125.046788	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Na+K"	61.952376
"266692"	440.298168	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+ACN+Na"	64.015768
"1237213"	252.156968	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+ACN+Na"	64.015768
"1726100"	252.180493	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+NH4+HCOOH"	64.039293
"1192546"	85.7029513333333	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+3Na"	68.967654
"1662807"	257.135888	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Na+HCOOH"	68.994688
"168575"	453.20144	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+2K-H"	76.91904
"605948"	641.34264	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+2K-H"	76.91904
"1091554"	265.06024	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2K-H"	76.91904
"151652"	227.104358	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"2M+2K"	77.926316
"589026"	321.174958	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"3M+2K"	77.926316
"1077911"	133.033758	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2K"	77.926316
"1107839"	267.074792	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2K+H"	78.933592
"1342043"	267.162407	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+DMSO+H"	79.021207
"1011664"	271.201576	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2ACN+H"	83.060376
"1529789"	272.195208	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+IsoProp+Na+H"	84.054008
"996237"	136.104426	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+2ACN+2H"	84.067652
"1591834"	273.109828	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+K+HCOOH"	84.968628
"1419681"	303.141338	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+H+CF3COOH"	115.000138
"1152157"	156.617701	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+3ACN+2H"	125.094202
"1700614"	320.167885	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+NH4+CF3COOH"	132.026685
"1641732"	325.12328	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+Na+CF3COOH"	136.98208
"1580662"	341.09722	"C18067"	"6-Hydroxy-37-dimethyloctanoate"	"C10H20O3"	"188.1412"	"M+K+CF3COOH"	152.95602
"804465"	342.1162	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M"	0
"979089"	323.09781	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"66235"	227.070190666667	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"503730"	341.108924	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"882504"	113.031457333333	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"9836"	341.108924	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"453772"	512.167024	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"829389"	170.050824	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"90473"	683.225124	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"532220"	1025.341324	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"908931"	341.108924	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"61854"	700.251671	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"501045"	1042.367871	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"876292"	358.135471	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"36535"	705.207066	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"473908"	1047.323266	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"856087"	363.090866	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1624161"	363.090866	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"95949"	359.097263	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"536604"	530.155363	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"929140"	188.039163	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"269041"	719.201802	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"661829"	1061.318002	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1278606"	377.085602	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"18977"	721.181006	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"456347"	1063.297206	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"844730"	379.064806	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1570406"	379.064806	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"957766"	387.114394	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"376022"	729.230601	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"359542"	743.246251	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1507033"	401.130051	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"969468"	409.096351	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"123843"	377.085602	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"561214"	548.143702	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1031107"	206.027502	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1251778"	421.035085	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1313132"	423.091072	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1321881"	445.073029	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"916585"	455.101786	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1290743"	491.078464	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1368540"	307.103524	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383124"	325.1135	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"289376"	685.239676	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"681796"	1027.355876	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1358147"	343.123476	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"130671"	343.123476	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"569868"	514.181576	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1050340"	172.065376	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"211680"	229.084742666667	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"655613"	343.123476	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1177626"	115.046009333333	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"434821"	702.266223	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"796909"	1044.382423	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1689969"	360.150023	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"342989"	351.6367495	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"725203"	522.6948495	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1486677"	180.5786495	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"404264"	707.221618	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"761977"	1049.337818	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1604729"	365.105418	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"314760"	354.114447	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"709003"	525.172547	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1463066"	183.056347	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1054856"	122.373323333333	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1259816"	375.149686	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"378270"	723.195558	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"739875"	1065.311758	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1545088"	381.079358	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"301534"	362.101417	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"701256"	533.159517	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1450703"	191.043317	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"241492"	726.266226	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1216387"	384.150026	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1204292"	192.578651	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"201534"	729.20356	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"640002"	1071.31976	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1143143"	387.08736	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"184974"	365.105418	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"616877"	536.163518	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1119291"	194.047318	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1403908"	129.700637333333	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1437117"	389.128946	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"222194"	370.13844	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1514876"	403.18099	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"414562"	373.092388	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"771908"	544.150488	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1666653"	202.034288	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"266197"	748.248168	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1238416"	406.131968	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1726209"	406.155493	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1193143"	137.027951333333	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1663892"	411.110888	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"165406"	761.15144	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"607154"	1103.26764	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1093853"	419.03524	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"151763"	381.079358	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"586950"	552.137458	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1079115"	210.021258	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1109044"	421.049792	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1342153"	421.137407	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1011774"	425.176576	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1532086"	426.170208	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"995254"	213.091926	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1590851"	427.084828	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1419791"	457.116338	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1151174"	233.605201	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1700724"	474.142885	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1641842"	479.09828	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1580772"	495.07222	"C18068"	"beta-D-Fructofuranosyl-alpha-D-mannopyranoside;Mannosylfructose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"805668"	583.2682	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M"	0
"975919"	564.24981	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-H2O-H"	-19.01839
"64279"	387.838190666667	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M-3H"	-3.021828
"502899"	582.260924	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M-3H"	-3.021828
"880007"	193.415457333333	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-3H"	-3.021828
"13225"	582.260924	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M-2H"	-2.014552
"455545"	873.895024	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M-2H"	-2.014552
"832618"	290.626824	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-2H"	-2.014552
"94195"	1165.529124	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M-H"	-1.007276
"532939"	1748.797324	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M-H"	-1.007276
"911032"	582.260924	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-H"	-1.007276
"62739"	1182.555671	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M-2H+NH4"	16.019271
"502248"	1765.823871	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M-2H+NH4"	16.019271
"878588"	599.287471	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-2H+NH4"	16.019271
"37740"	1187.511066	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M-2H+Na"	20.974666
"473289"	1770.779266	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M-2H+Na"	20.974666
"856197"	604.242866	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-2H+Na"	20.974666
"1625729"	604.242866	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Na-2H"	20.974666
"96060"	600.249263	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M-H+Cl"	33.962126
"534687"	891.883363	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M-H+Cl"	33.962126
"928766"	308.615163	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-H+Cl"	33.962126
"270609"	1201.505802	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+Cl"	34.969402
"664125"	1784.774002	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+Cl"	34.969402
"1276529"	618.237602	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Cl"	34.969402
"19087"	1203.485006	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M-2H+K"	36.948606
"456581"	1786.753206	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M-2H+K"	36.948606
"847754"	620.216806	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-2H+K"	36.948606
"1571192"	620.216806	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+K-2H"	36.948606
"958381"	628.266394	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-H+HCOOH"	44.998194
"377061"	1211.534601	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+HCOOH-H"	44.998201
"361226"	1225.550251	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+Hac-H"	59.013851
"1506778"	642.282051	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Hac-H"	59.013851
"973719"	650.248351	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-H+NaCOOH"	66.980151
"124562"	618.237602	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+2Cl"	69.938804
"561324"	909.871702	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+2Cl"	69.938804
"1030123"	326.603502	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2Cl"	69.938804
"1247514"	662.187085	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Br"	78.918885
"1313242"	664.243072	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Cl+HCOOH"	80.974872
"1321992"	686.225029	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Cl+NaCOOH"	102.956829
"914507"	696.253786	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M-H+CF3COOH"	112.985586
"1289760"	732.230464	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Cl+CF3COOH"	148.962264
"1369379"	548.255524	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H-2H2O"	-35.012676
"1383275"	566.2655	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H-H2O"	-17.0027
"290579"	1167.543676	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+H"	1.007276
"678625"	1750.811876	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+H"	1.007276
"1359350"	584.275476	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H"	1.007276
"133330"	584.275476	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+2H"	2.014552
"568884"	875.909576	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+2H"	2.014552
"1048625"	292.641376	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2H"	2.014552
"210691"	389.852742666667	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+3H"	3.021828
"656085"	584.275476	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+3H"	3.021828
"1173847"	195.430009333333	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+3H"	3.021828
"434566"	1184.570223	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+NH4"	18.033823
"796291"	1767.838423	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+NH4"	18.033823
"1688977"	601.302023	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+NH4"	18.033823
"337262"	592.7887495	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+H+NH4"	19.041099
"730777"	884.4228495	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+H+NH4"	19.041099
"1486787"	301.1546495	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H+NH4"	19.041099
"405103"	1189.525618	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+Na"	22.989218
"762087"	1772.793818	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+Na"	22.989218
"1603620"	606.257418	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Na"	22.989218
"315113"	595.266447	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+H+Na"	23.996494
"708993"	886.900547	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+H+Na"	23.996494
"1462813"	303.632347	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H+Na"	23.996494
"1055695"	202.757323333333	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2H+Na"	25.00377
"1260655"	616.301686	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+CH3OH+H"	33.033486
"379232"	1205.499558	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+K"	38.963158
"739985"	1788.767758	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+K"	38.963158
"1541918"	622.231358	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+K"	38.963158
"300187"	603.253417	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+H+K"	39.970434
"698085"	894.887517	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+H+K"	39.970434
"1455186"	311.619317	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H+K"	39.970434
"244882"	1208.570226	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+ACN+H"	42.033826
"1216497"	625.302026	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+ACN+H"	42.033826
"1206951"	313.154651	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+ACN+2H"	43.041102
"202373"	1211.50756	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+2Na-H"	44.97116
"642177"	1794.77576	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+2Na-H"	44.97116
"1144709"	628.23936	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2Na-H"	44.97116
"182895"	606.257418	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+2Na"	45.978436
"618080"	897.891518	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+2Na"	45.978436
"1122680"	314.623318	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2Na"	45.978436
"1405110"	210.084637333333	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H+2Na"	46.985712
"1433945"	630.280946	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H+HCOOH"	47.012746
"224734"	611.29044	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+3H2O+2H"	56.04448
"1509189"	644.33299	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+IsoProp+H"	61.06479
"409564"	614.244388	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+Na+K"	61.952376
"772018"	905.878488	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+Na+K"	61.952376
"1665755"	322.610288	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Na+K"	61.952376
"266180"	1230.552168	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+ACN+Na"	64.015768
"1240595"	647.283968	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+ACN+Na"	64.015768
"1726684"	647.307493	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+NH4+HCOOH"	64.039293
"1193618"	217.411951333333	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+3Na"	68.967654
"1664973"	652.262888	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Na+HCOOH"	68.994688
"166609"	1243.45544	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+2K-H"	76.91904
"608358"	1826.72364	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+2K-H"	76.91904
"1095056"	660.18724	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2K-H"	76.91904
"154060"	622.231358	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"2M+2K"	77.926316
"588153"	913.865458	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"3M+2K"	77.926316
"1080320"	330.597258	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2K"	77.926316
"1112436"	662.201792	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2K+H"	78.933592
"1342265"	662.289407	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+DMSO+H"	79.021207
"1010793"	666.328576	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2ACN+H"	83.060376
"1525636"	667.322208	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+IsoProp+Na+H"	84.054008
"990990"	333.667926	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+2ACN+2H"	84.067652
"1595335"	668.236828	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+K+HCOOH"	84.968628
"1419901"	698.268338	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+H+CF3COOH"	115.000138
"1151284"	354.181201	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+3ACN+2H"	125.094202
"1700834"	715.294885	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+NH4+CF3COOH"	132.026685
"1641952"	720.25028	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+Na+CF3COOH"	136.98208
"1580882"	736.22422	"C18069"	"N1N5N10-Tricoumaroyl spermidine"	"C34H37N3O6"	"583.2682"	"M+K+CF3COOH"	152.95602
"802498"	631.253	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M"	0
"974384"	612.23461	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-H2O-H"	-19.01839
"63082"	419.828057333333	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M-3H"	-3.021828
"502929"	630.245724	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M-3H"	-3.021828
"880287"	209.410390666667	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-3H"	-3.021828
"5681"	630.245724	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M-2H"	-2.014552
"451805"	945.872224	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M-2H"	-2.014552
"832525"	314.619224	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-2H"	-2.014552
"93938"	1261.498724	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M-H"	-1.007276
"532928"	1892.751724	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M-H"	-1.007276
"909885"	630.245724	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-H"	-1.007276
"62560"	1278.525271	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M-2H+NH4"	16.019271
"501749"	1909.778271	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M-2H+NH4"	16.019271
"876512"	647.272271	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-2H+NH4"	16.019271
"37850"	1283.480666	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M-2H+Na"	20.974666
"473033"	1914.733666	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M-2H+Na"	20.974666
"853754"	652.227666	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-2H+Na"	20.974666
"1622922"	652.227666	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Na-2H"	20.974666
"99086"	648.234063	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M-H+Cl"	33.962126
"536824"	963.860563	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M-H+Cl"	33.962126
"927784"	332.607563	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-H+Cl"	33.962126
"268532"	1297.475402	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+Cl"	34.969402
"662049"	1928.728402	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+Cl"	34.969402
"1275546"	666.222402	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Cl"	34.969402
"20290"	1299.454606	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M-2H+K"	36.948606
"456570"	1930.707606	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M-2H+K"	36.948606
"845313"	668.201606	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-2H+K"	36.948606
"1570626"	668.201606	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+K-2H"	36.948606
"956686"	676.251194	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-H+HCOOH"	44.998194
"376957"	1307.504201	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+HCOOH-H"	44.998201
"360607"	1321.519851	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+Hac-H"	59.013851
"1506888"	690.266851	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Hac-H"	59.013851
"973910"	698.233151	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-H+NaCOOH"	66.980151
"124917"	666.222402	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+2Cl"	69.938804
"562527"	981.848902	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+2Cl"	69.938804
"1031326"	350.595902	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2Cl"	69.938804
"1248719"	710.171885	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Br"	78.918885
"1311166"	712.227872	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Cl+HCOOH"	80.974872
"1320641"	734.209829	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Cl+NaCOOH"	102.956829
"911823"	744.238586	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M-H+CF3COOH"	112.985586
"1288892"	780.215264	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Cl+CF3COOH"	148.962264
"1368396"	596.240324	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H-2H2O"	-35.012676
"1384073"	614.2503	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H-H2O"	-17.0027
"289595"	1263.513276	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+H"	1.007276
"678735"	1894.766276	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+H"	1.007276
"1358367"	632.260276	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H"	1.007276
"131255"	632.260276	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+2H"	2.014552
"572999"	947.886776	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+2H"	2.014552
"1045087"	316.633776	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2H"	2.014552
"209707"	421.842609333333	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+3H"	3.021828
"649268"	632.260276	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+3H"	3.021828
"1173957"	211.424942666667	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+3H"	3.021828
"428479"	1280.539823	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+NH4"	18.033823
"792755"	1911.792823	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+NH4"	18.033823
"1686898"	649.286823	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+NH4"	18.033823
"335185"	640.7735495	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+H+NH4"	19.041099
"728700"	956.4000495	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+H+NH4"	19.041099
"1480335"	325.1470495	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H+NH4"	19.041099
"402299"	1285.495218	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+Na"	22.989218
"762200"	1916.748218	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+Na"	22.989218
"1602743"	654.242218	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Na"	22.989218
"315955"	643.251247	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+H+Na"	23.996494
"709836"	958.877747	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+H+Na"	23.996494
"1463289"	327.624747	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H+Na"	23.996494
"1055806"	218.752256666667	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2H+Na"	25.00377
"1257276"	664.286486	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+CH3OH+H"	33.033486
"379342"	1301.469158	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+K"	38.963158
"741069"	1932.722158	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+K"	38.963158
"1542756"	670.216158	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+K"	38.963158
"300297"	651.238217	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+H+K"	39.970434
"694915"	966.864717	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+H+K"	39.970434
"1454203"	335.611717	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H+K"	39.970434
"239524"	1304.539826	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+ACN+H"	42.033826
"1216607"	673.286826	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+ACN+H"	42.033826
"1203782"	337.147051	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+ACN+2H"	43.041102
"202115"	1307.47716	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+2Na-H"	44.97116
"641678"	1938.73016	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+2Na-H"	44.97116
"1142996"	676.22416	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2Na-H"	44.97116
"181912"	654.242218	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+2Na"	45.978436
"614910"	969.868718	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+2Na"	45.978436
"1120603"	338.615718	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2Na"	45.978436
"1399509"	226.079570666667	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H+2Na"	46.985712
"1429918"	678.265746	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H+HCOOH"	47.012746
"220833"	659.27524	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+3H2O+2H"	56.04448
"1508664"	692.31779	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+IsoProp+H"	61.06479
"409674"	662.229188	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+Na+K"	61.952376
"771278"	977.855688	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+Na+K"	61.952376
"1666271"	346.602688	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Na+K"	61.952376
"264831"	1326.521768	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+ACN+Na"	64.015768
"1240462"	695.268768	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+ACN+Na"	64.015768
"1727524"	695.292293	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+NH4+HCOOH"	64.039293
"1194057"	233.406884666667	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+3Na"	68.967654
"1664232"	700.247688	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Na+HCOOH"	68.994688
"166719"	1339.42504	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+2K-H"	76.91904
"608468"	1970.67804	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+2K-H"	76.91904
"1094073"	708.17204	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2K-H"	76.91904
"155263"	670.216158	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"2M+2K"	77.926316
"584255"	985.842658	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"3M+2K"	77.926316
"1082618"	354.589658	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2K"	77.926316
"1112545"	710.186592	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2K+H"	78.933592
"1347836"	710.274207	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+DMSO+H"	79.021207
"1010903"	714.313376	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2ACN+H"	83.060376
"1525745"	715.307008	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+IsoProp+Na+H"	84.054008
"991828"	357.660326	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+2ACN+2H"	84.067652
"1594352"	716.221628	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+K+HCOOH"	84.968628
"1420011"	746.253138	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+H+CF3COOH"	115.000138
"1151394"	378.173601	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+3ACN+2H"	125.094202
"1700944"	763.279685	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+NH4+CF3COOH"	132.026685
"1642062"	768.23508	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+Na+CF3COOH"	136.98208
"1580992"	784.20902	"C18070"	"N1N5N10-Tricaffeoyl spermidine"	"C34H37N3O9"	"631.253"	"M+K+CF3COOH"	152.95602
"804795"	673.2999	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M"	0
"974720"	654.28151	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-H2O-H"	-19.01839
"64013"	447.859324	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M-3H"	-3.021828
"503244"	672.292624	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M-3H"	-3.021828
"881006"	223.426024	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-3H"	-3.021828
"5791"	672.292624	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M-2H"	-2.014552
"451915"	1008.942574	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M-2H"	-2.014552
"831179"	335.642674	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-2H"	-2.014552
"92268"	1345.592524	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M-H"	-1.007276
"533688"	2018.892424	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M-H"	-1.007276
"908538"	672.292624	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-H"	-1.007276
"60605"	1362.619071	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M-2H+NH4"	16.019271
"502109"	2035.918971	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M-2H+NH4"	16.019271
"876622"	689.319171	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-2H+NH4"	16.019271
"37960"	1367.574466	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M-2H+Na"	20.974666
"474966"	2040.874366	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M-2H+Na"	20.974666
"853500"	694.274566	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-2H+Na"	20.974666
"1621210"	694.274566	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Na-2H"	20.974666
"98103"	690.280963	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M-H+Cl"	33.962126
"535841"	1026.930913	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M-H+Cl"	33.962126
"928259"	353.631013	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-H+Cl"	33.962126
"269731"	1381.569202	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+Cl"	34.969402
"663252"	2054.869102	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+Cl"	34.969402
"1275654"	708.269302	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Cl"	34.969402
"19307"	1383.548406	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M-2H+K"	36.948606
"456679"	2056.848306	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M-2H+K"	36.948606
"847773"	710.248506	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-2H+K"	36.948606
"1570901"	710.248506	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+K-2H"	36.948606
"958175"	718.298094	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-H+HCOOH"	44.998194
"376349"	1391.598001	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+HCOOH-H"	44.998201
"356707"	1405.613651	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+Hac-H"	59.013851
"1507890"	732.313751	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Hac-H"	59.013851
"973407"	740.280051	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-H+NaCOOH"	66.980151
"124418"	708.269302	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+2Cl"	69.938804
"562637"	1044.919252	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+2Cl"	69.938804
"1030343"	371.619352	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2Cl"	69.938804
"1249921"	752.218785	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Br"	78.918885
"1310182"	754.274772	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Cl+HCOOH"	80.974872
"1320428"	776.256729	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Cl+NaCOOH"	102.956829
"912541"	786.285486	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M-H+CF3COOH"	112.985586
"1288678"	822.262164	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Cl+CF3COOH"	148.962264
"1368506"	638.287224	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H-2H2O"	-35.012676
"1384548"	656.2972	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H-H2O"	-17.0027
"291892"	1347.607076	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+H"	1.007276
"678845"	2020.906976	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+H"	1.007276
"1357383"	674.307176	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H"	1.007276
"131363"	674.307176	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+2H"	2.014552
"572015"	1010.957126	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+2H"	2.014552
"1047384"	337.657226	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2H"	2.014552
"209817"	449.873876	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+3H"	3.021828
"648285"	674.307176	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+3H"	3.021828
"1171880"	225.440576	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+3H"	3.021828
"426767"	1364.633623	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+NH4"	18.033823
"792866"	2037.933523	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+NH4"	18.033823
"1683730"	691.333723	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+NH4"	18.033823
"336388"	682.8204495	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+H+NH4"	19.041099
"724435"	1019.4703995	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+H+NH4"	19.041099
"1480445"	346.1704995	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H+NH4"	19.041099
"399129"	1369.589018	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+Na"	22.989218
"759029"	2042.888918	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+Na"	22.989218
"1603357"	696.289118	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Na"	22.989218
"317159"	685.298147	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+H+Na"	23.996494
"709579"	1021.948097	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+H+Na"	23.996494
"1461696"	348.648197	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H+Na"	23.996494
"1056646"	232.76789	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2H+Na"	25.00377
"1257222"	706.333386	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+CH3OH+H"	33.033486
"380182"	1385.562958	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+K"	38.963158
"742272"	2058.862858	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+K"	38.963158
"1543594"	712.263058	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+K"	38.963158
"301500"	693.285117	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+H+K"	39.970434
"693200"	1029.935067	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+H+K"	39.970434
"1453220"	356.635167	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H+K"	39.970434
"238176"	1388.633626	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+ACN+H"	42.033826
"1216717"	715.333726	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+ACN+H"	42.033826
"1203892"	358.170501	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+ACN+2H"	43.041102
"200039"	1391.57096	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+2Na-H"	44.97116
"639600"	2064.87086	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+2Na-H"	44.97116
"1142742"	718.27106	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2Na-H"	44.97116
"179834"	696.289118	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+2Na"	45.978436
"615020"	1032.939068	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+2Na"	45.978436
"1120713"	359.639168	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2Na"	45.978436
"1402050"	240.095204	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H+2Na"	46.985712
"1429986"	720.312646	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H+HCOOH"	47.012746
"220700"	701.32214	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+3H2O+2H"	56.04448
"1508881"	734.36469	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+IsoProp+H"	61.06479
"408807"	704.276088	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+Na+K"	61.952376
"770292"	1040.926038	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+Na+K"	61.952376
"1666419"	367.626138	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Na+K"	61.952376
"263484"	1410.615568	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+ACN+Na"	64.015768
"1240935"	737.315668	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+ACN+Na"	64.015768
"1725810"	737.339193	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+NH4+HCOOH"	64.039293
"1192986"	247.422518	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+3Na"	68.967654
"1662155"	742.294588	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Na+HCOOH"	68.994688
"165737"	1423.51884	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+2K-H"	76.91904
"609671"	2096.81874	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+2K-H"	76.91904
"1096370"	750.21894	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2K-H"	76.91904
"156103"	712.263058	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"2M+2K"	77.926316
"587282"	1048.913008	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"3M+2K"	77.926316
"1083337"	375.613108	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2K"	77.926316
"1112655"	752.233492	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2K+H"	78.933592
"1349039"	752.321107	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+DMSO+H"	79.021207
"1011013"	756.360276	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2ACN+H"	83.060376
"1525247"	757.353908	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+IsoProp+Na+H"	84.054008
"992303"	378.683776	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+2ACN+2H"	84.067652
"1594462"	758.268528	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+K+HCOOH"	84.968628
"1420121"	788.300038	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+H+CF3COOH"	115.000138
"1151504"	399.197051	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+3ACN+2H"	125.094202
"1701054"	805.326585	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+NH4+CF3COOH"	132.026685
"1641078"	810.28198	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+Na+CF3COOH"	136.98208
"1581102"	826.25592	"C18071"	"N1N5N10-Triferuloyl spermidine"	"C37H43N3O9"	"673.2999"	"M+K+CF3COOH"	152.95602
"802718"	721.2847	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M"	0
"974528"	702.26631	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-H2O-H"	-19.01839
"63391"	479.849190666667	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M-3H"	-3.021828
"502892"	720.277424	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M-3H"	-3.021828
"880266"	239.420957333333	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-3H"	-3.021828
"5901"	720.277424	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M-2H"	-2.014552
"450931"	1080.919774	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M-2H"	-2.014552
"829469"	359.635074	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-2H"	-2.014552
"92011"	1441.562124	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M-H"	-1.007276
"532175"	2162.846824	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M-H"	-1.007276
"906826"	720.277424	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-H"	-1.007276
"59013"	1458.588671	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M-2H+NH4"	16.019271
"501001"	2179.873371	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M-2H+NH4"	16.019271
"876983"	737.303971	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-2H+NH4"	16.019271
"43540"	1463.544066	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M-2H+Na"	20.974666
"480913"	2184.828766	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M-2H+Na"	20.974666
"851421"	742.259366	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-2H+Na"	20.974666
"1624967"	742.259366	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Na-2H"	20.974666
"97123"	738.265763	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M-H+Cl"	33.962126
"541056"	1098.908113	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M-H+Cl"	33.962126
"931290"	377.623413	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-H+Cl"	33.962126
"267237"	1477.538802	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+Cl"	34.969402
"662025"	2198.823502	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+Cl"	34.969402
"1274673"	756.254102	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Cl"	34.969402
"24887"	1479.518006	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M-2H+K"	36.948606
"469924"	2200.802706	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M-2H+K"	36.948606
"847358"	758.233306	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-2H+K"	36.948606
"1570611"	758.233306	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+K-2H"	36.948606
"957516"	766.282894	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-H+HCOOH"	44.998194
"376628"	1487.567601	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+HCOOH-H"	44.998201
"357547"	1501.583251	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+Hac-H"	59.013851
"1508086"	780.298551	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Hac-H"	59.013851
"969910"	788.264851	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-H+NaCOOH"	66.980151
"122826"	756.254102	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+2Cl"	69.938804
"556188"	1116.896452	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+2Cl"	69.938804
"1023893"	395.611752	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2Cl"	69.938804
"1244565"	800.203585	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Br"	78.918885
"1308106"	802.259572	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Cl+HCOOH"	80.974872
"1320986"	824.241529	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Cl+NaCOOH"	102.956829
"914477"	834.270286	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M-H+CF3COOH"	112.985586
"1290822"	870.246964	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Cl+CF3COOH"	148.962264
"1368252"	686.272024	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H-2H2O"	-35.012676
"1384293"	704.282	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H-H2O"	-17.0027
"288722"	1443.576676	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+H"	1.007276
"678955"	2164.861376	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+H"	1.007276
"1354210"	722.291976	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H"	1.007276
"130380"	722.291976	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+2H"	2.014552
"571034"	1082.934326	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+2H"	2.014552
"1048955"	361.649626	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2H"	2.014552
"216129"	481.863742666667	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+3H"	3.021828
"656785"	722.291976	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+3H"	3.021828
"1168710"	241.435509333333	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+3H"	3.021828
"436722"	1460.603223	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+NH4"	18.033823
"792978"	2181.887923	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+NH4"	18.033823
"1687123"	739.318523	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+NH4"	18.033823
"338321"	730.8052495	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+H+NH4"	19.041099
"726004"	1091.4475995	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+H+NH4"	19.041099
"1478484"	370.1628995	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H+NH4"	19.041099
"400327"	1465.558618	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+Na"	22.989218
"765335"	2186.843318	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+Na"	22.989218
"1603468"	744.273918	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Na"	22.989218
"318365"	733.282947	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+H+Na"	23.996494
"711877"	1093.925297	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+H+Na"	23.996494
"1467884"	372.640597	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H+Na"	23.996494
"1060036"	248.762823333333	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2H+Na"	25.00377
"1263902"	754.318186	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+CH3OH+H"	33.033486
"378468"	1481.532558	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+K"	38.963158
"742383"	2202.817258	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+K"	38.963158
"1543704"	760.247858	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+K"	38.963158
"300152"	741.269917	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+H+K"	39.970434
"692948"	1101.912267	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+H+K"	39.970434
"1453330"	380.627567	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H+K"	39.970434
"239745"	1484.603226	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+ACN+H"	42.033826
"1216831"	763.318526	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+ACN+H"	42.033826
"1203635"	382.162901	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+ACN+2H"	43.041102
"196867"	1487.54056	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+2Na-H"	44.97116
"636431"	2208.82526	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+2Na-H"	44.97116
"1139936"	766.25586	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2Na-H"	44.97116
"179944"	744.273918	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+2Na"	45.978436
"615130"	1104.916268	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+2Na"	45.978436
"1118757"	383.631568	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2Na"	45.978436
"1402160"	256.090137333333	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H+2Na"	46.985712
"1429926"	768.297446	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H+HCOOH"	47.012746
"220111"	749.30694	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+3H2O+2H"	56.04448
"1508501"	782.34949	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+IsoProp+H"	61.06479
"410129"	752.260888	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+Na+K"	61.952376
"769987"	1112.903238	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+Na+K"	61.952376
"1665632"	391.618538	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Na+K"	61.952376
"264687"	1506.585168	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+ACN+Na"	64.015768
"1241170"	785.300468	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+ACN+Na"	64.015768
"1724827"	785.323993	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+NH4+HCOOH"	64.039293
"1192732"	263.417451333333	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+3Na"	68.967654
"1663725"	790.279388	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Na+HCOOH"	68.994688
"170222"	1519.48844	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+2K-H"	76.91904
"609782"	2240.77314	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+2K-H"	76.91904
"1096481"	798.20374	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2K-H"	76.91904
"156213"	760.247858	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"2M+2K"	77.926316
"593952"	1120.890208	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"3M+2K"	77.926316
"1083448"	399.605508	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2K"	77.926316
"1112766"	800.218292	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2K+H"	78.933592
"1349149"	800.305907	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+DMSO+H"	79.021207
"1011121"	804.345076	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2ACN+H"	83.060376
"1533618"	805.338708	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+IsoProp+Na+H"	84.054008
"998972"	402.676176	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+2ACN+2H"	84.067652
"1594572"	806.253328	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+K+HCOOH"	84.968628
"1421325"	836.284838	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+H+CF3COOH"	115.000138
"1154892"	423.189451	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+3ACN+2H"	125.094202
"1704444"	853.311385	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+NH4+CF3COOH"	132.026685
"1642282"	858.26678	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+Na+CF3COOH"	136.98208
"1581212"	874.24072	"C18072"	"N1N5N10-Tri(hydroxyferuloyl) spermidine"	"C37H43N3O12"	"721.2847"	"M+K+CF3COOH"	152.95602
"802463"	735.3003	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M"	0
"975993"	716.28191	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-H2O-H"	-19.01839
"63383"	489.192924	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M-3H"	-3.021828
"503550"	734.293024	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M-3H"	-3.021828
"881959"	244.092824	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-3H"	-3.021828
"7104"	734.293024	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M-2H"	-2.014552
"447761"	1101.943174	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M-2H"	-2.014552
"830307"	366.642874	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-2H"	-2.014552
"90663"	1469.593324	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M-H"	-1.007276
"532770"	2204.893624	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M-H"	-1.007276
"908391"	734.293024	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-H"	-1.007276
"60215"	1486.619871	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M-2H+NH4"	16.019271
"501231"	2221.920171	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M-2H+NH4"	16.019271
"879275"	751.319571	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-2H+NH4"	16.019271
"44743"	1491.575266	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M-2H+Na"	20.974666
"478835"	2226.875566	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M-2H+Na"	20.974666
"853356"	756.274966	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-2H+Na"	20.974666
"1622890"	756.274966	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Na-2H"	20.974666
"97233"	752.281363	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M-H+Cl"	33.962126
"544447"	1119.931513	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M-H+Cl"	33.962126
"930307"	384.631213	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-H+Cl"	33.962126
"267771"	1505.570002	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+Cl"	34.969402
"662014"	2240.870302	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+Cl"	34.969402
"1274783"	770.269702	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Cl"	34.969402
"22810"	1507.549206	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M-2H+K"	36.948606
"470031"	2242.849506	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M-2H+K"	36.948606
"847963"	772.248906	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-2H+K"	36.948606
"1571088"	772.248906	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+K-2H"	36.948606
"955923"	780.298494	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-H+HCOOH"	44.998194
"376571"	1515.598801	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+HCOOH-H"	44.998201
"358021"	1529.614451	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+Hac-H"	59.013851
"1508198"	794.314151	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Hac-H"	59.013851
"974033"	802.280451	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-H+NaCOOH"	66.980151
"125641"	770.269702	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+2Cl"	69.938804
"558485"	1137.919852	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+2Cl"	69.938804
"1032752"	402.619552	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2Cl"	69.938804
"1246862"	814.219185	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Br"	78.918885
"1308581"	816.275172	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Cl+HCOOH"	80.974872
"1322433"	838.257129	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Cl+NaCOOH"	102.956829
"914587"	848.285886	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M-H+CF3COOH"	112.985586
"1291296"	884.262564	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Cl+CF3COOH"	148.962264
"1370551"	700.287624	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H-2H2O"	-35.012676
"1389143"	718.2976	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H-H2O"	-17.0027
"291018"	1471.607876	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+H"	1.007276
"683439"	2206.908176	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+H"	1.007276
"1358696"	736.307576	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H"	1.007276
"133771"	736.307576	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+2H"	2.014552
"568228"	1103.957726	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+2H"	2.014552
"1045416"	368.657426	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2H"	2.014552
"217332"	491.207476	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+3H"	3.021828
"655433"	736.307576	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+3H"	3.021828
"1168819"	246.107376	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+3H"	3.021828
"427351"	1488.634423	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+NH4"	18.033823
"789074"	2223.934723	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+NH4"	18.033823
"1684317"	753.334123	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+NH4"	18.033823
"338795"	744.8208495	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+H+NH4"	19.041099
"725750"	1112.4709995	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+H+NH4"	19.041099
"1479202"	377.1706995	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H+NH4"	19.041099
"394598"	1493.589818	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+Na"	22.989218
"765809"	2228.890118	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+Na"	22.989218
"1604551"	758.289518	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Na"	22.989218
"317382"	747.298547	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+H+Na"	23.996494
"711987"	1114.948697	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+H+Na"	23.996494
"1467995"	379.648397	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H+Na"	23.996494
"1056867"	253.43469	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2H+Na"	25.00377
"1262919"	768.333786	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+CH3OH+H"	33.033486
"380410"	1509.563758	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+K"	38.963158
"741765"	2244.864058	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+K"	38.963158
"1542723"	774.263458	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+K"	38.963158
"300992"	755.285517	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+H+K"	39.970434
"695244"	1122.935667	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+H+K"	39.970434
"1453440"	387.635367	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H+K"	39.970434
"243134"	1512.634426	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+ACN+H"	42.033826
"1218034"	777.334126	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+ACN+H"	42.033826
"1204109"	389.170701	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+ACN+2H"	43.041102
"196977"	1515.57176	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+2Na-H"	44.97116
"638363"	2250.87206	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+2Na-H"	44.97116
"1140046"	780.27146	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2Na-H"	44.97116
"181147"	758.289518	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+2Na"	45.978436
"620708"	1125.939668	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+2Na"	45.978436
"1122026"	390.639368	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2Na"	45.978436
"1407737"	260.762004	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H+2Na"	46.985712
"1434386"	782.313046	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H+HCOOH"	47.012746
"220225"	763.32254	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+3H2O+2H"	56.04448
"1508612"	796.36509	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+IsoProp+H"	61.06479
"409273"	766.276488	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+Na+K"	61.952376
"770636"	1133.926638	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+Na+K"	61.952376
"1668059"	398.626338	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Na+K"	61.952376
"263338"	1534.616368	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+ACN+Na"	64.015768
"1240188"	799.316068	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+ACN+Na"	64.015768
"1727493"	799.339593	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+NH4+HCOOH"	64.039293
"1192478"	268.089318	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+3Na"	68.967654
"1662741"	804.294988	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Na+HCOOH"	68.994688
"168510"	1547.51964	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+2K-H"	76.91904
"607341"	2282.81994	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+2K-H"	76.91904
"1092582"	812.21934	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2K-H"	76.91904
"154501"	774.263458	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"2M+2K"	77.926316
"589687"	1141.913608	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"3M+2K"	77.926316
"1076387"	406.613308	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2K"	77.926316
"1108503"	814.233892	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2K+H"	78.933592
"1347073"	814.321507	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+DMSO+H"	79.021207
"1011232"	818.360676	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2ACN+H"	83.060376
"1534823"	819.354308	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+IsoProp+Na+H"	84.054008
"996896"	409.683976	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+2ACN+2H"	84.067652
"1593590"	820.268928	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+K+HCOOH"	84.968628
"1419249"	850.300438	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+H+CF3COOH"	115.000138
"1153909"	430.197251	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+3ACN+2H"	125.094202
"1708927"	867.326985	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+NH4+CF3COOH"	132.026685
"1642392"	872.28238	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+Na+CF3COOH"	136.98208
"1581322"	888.25632	"C18073"	"N1N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine"	"C38H45N3O12"	"735.3003"	"M+K+CF3COOH"	152.95602
"802209"	304.2038	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M"	0
"974886"	285.18541	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"64340"	201.795257333333	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"503903"	303.196524	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"881701"	100.393990666667	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"7214"	303.196524	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"447871"	455.298424	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"830049"	151.094624	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"91504"	607.400324	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"532638"	911.604124	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"908501"	303.196524	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"60690"	624.426871	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"501219"	928.630671	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"878777"	320.223071	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"44853"	629.382266	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"478945"	933.586066	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"853466"	325.178466	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1624093"	325.178466	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"99529"	321.184863	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"547837"	473.286763	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"935883"	169.082963	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"269703"	643.377002	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"664674"	947.580802	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1276714"	339.173202	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"24013"	645.356206	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"470505"	949.560006	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"847829"	341.152406	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1570709"	341.152406	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"955669"	349.201994	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"376439"	653.405801	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"357038"	667.421451	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1507094"	363.217651	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"973908"	371.183951	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"124991"	339.173202	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"557502"	491.275102	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1032862"	187.071302	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1244056"	383.122685	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1307234"	385.178672	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1321814"	407.160629	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"913237"	417.189386	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1289947"	453.166064	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1368838"	269.191124	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1388159"	287.2011	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"291128"	609.414876	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"680267"	913.618676	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1355525"	305.211076	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"131694"	305.211076	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"568339"	457.312976	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1044433"	153.109176	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"217442"	203.809809333333	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"656271"	305.211076	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1166742"	102.408542666667	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"428919"	626.441423	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"789913"	930.645223	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1685154"	322.237623	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"334530"	313.7243495	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"729139"	465.8262495	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1479675"	161.6224495	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"396167"	631.396818	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"756433"	935.600618	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1603440"	327.193018	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"315905"	316.202047	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"707593"	468.303947	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1469198"	164.100147	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1059163"	109.735856666667	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1264124"	337.237286	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"381613"	647.370758	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"743698"	951.574558	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1543197"	343.166958	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"301466"	324.189017	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"698633"	476.290917	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1453549"	172.087117	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"244337"	650.441426	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1219237"	346.237626	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1204220"	173.622451	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"199276"	653.37876	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"639930"	957.58256	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1142342"	349.17496	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"181257"	327.193018	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"618631"	479.294918	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1116423"	175.091118	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1402380"	117.063170666667	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1434496"	351.216546	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"221268"	332.22604	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1510426"	365.26859	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"410235"	335.179988	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"771474"	487.281888	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1668533"	183.078088	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"263083"	672.423368	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1240297"	368.219568	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1728169"	368.243093	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1193681"	124.390484666667	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1662488"	373.198488	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"169350"	685.32664	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"611463"	989.53044	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1097792"	381.12284	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"154976"	343.166958	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"593077"	495.268858	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1079777"	191.065058	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1113352"	383.137392	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1348276"	383.225007	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1012435"	387.264176	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1533840"	388.257808	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"997006"	194.135726	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1593700"	389.172428	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1420453"	419.203938	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
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"1581432"	457.15982	"C18075"	"11beta17beta-Dihydroxy-4-androsten-3-one;11beta-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
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"64333"	471.062990666667	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M-3H"	-3.021828
"506570"	707.098124	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M-3H"	-3.021828
"882305"	235.027857333333	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-3H"	-3.021828
"15514"	707.098124	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M-2H"	-2.014552
"450169"	1061.150824	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M-2H"	-2.014552
"831252"	353.045424	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-2H"	-2.014552
"92223"	1415.203524	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M-H"	-1.007276
"533239"	2123.308924	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M-H"	-1.007276
"908612"	707.098124	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-H"	-1.007276
"61287"	1432.230071	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M-2H+NH4"	16.019271
"498901"	2140.335471	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M-2H+NH4"	16.019271
"878159"	724.124671	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-2H+NH4"	16.019271
"40592"	1437.185466	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M-2H+Na"	20.974666
"484524"	2145.290866	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M-2H+Na"	20.974666
"856858"	729.080066	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-2H+Na"	20.974666
"1630767"	729.080066	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Na-2H"	20.974666
"104015"	725.086463	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M-H+Cl"	33.962126
"537014"	1079.139163	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M-H+Cl"	33.962126
"929800"	371.033763	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-H+Cl"	33.962126
"273820"	1451.180202	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+Cl"	34.969402
"665876"	2159.285602	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+Cl"	34.969402
"1280473"	743.074802	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Cl"	34.969402
"25947"	1453.159406	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M-2H+K"	36.948606
"466601"	2161.264806	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M-2H+K"	36.948606
"848222"	745.054006	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-2H+K"	36.948606
"1571019"	745.054006	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+K-2H"	36.948606
"958355"	753.103594	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-H+HCOOH"	44.998194
"377073"	1461.209001	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+HCOOH-H"	44.998201
"360559"	1475.224651	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+Hac-H"	59.013851
"1508444"	767.119251	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Hac-H"	59.013851
"972427"	775.085551	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-H+NaCOOH"	66.980151
"123521"	743.074802	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+2Cl"	69.938804
"557612"	1097.127502	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+2Cl"	69.938804
"1024223"	389.022102	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2Cl"	69.938804
"1245991"	787.024285	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Br"	78.918885
"1307343"	789.080272	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Cl+HCOOH"	80.974872
"1320709"	811.062229	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Cl+NaCOOH"	102.956829
"914808"	821.090986	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M-H+CF3COOH"	112.985586
"1294799"	857.067664	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Cl+CF3COOH"	148.962264
"1370771"	673.092724	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H-2H2O"	-35.012676
"1388269"	691.1027	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H-H2O"	-17.0027
"288319"	1417.218076	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+H"	1.007276
"681474"	2125.323476	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+H"	1.007276
"1356728"	709.112676	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H"	1.007276
"131805"	709.112676	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+2H"	2.014552
"567717"	1063.165376	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+2H"	2.014552
"1046368"	355.059976	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2H"	2.014552
"212450"	473.077542666667	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+3H"	3.021828
"654196"	709.112676	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+3H"	3.021828
"1169042"	237.042409333333	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+3H"	3.021828
"430125"	1434.244623	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+NH4"	18.033823
"788564"	2142.350023	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+NH4"	18.033823
"1684535"	726.139223	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+NH4"	18.033823
"339016"	717.6259495	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+H+NH4"	19.041099
"727065"	1071.6786495	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+H+NH4"	19.041099
"1477639"	363.5732495	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H+NH4"	19.041099
"399564"	1439.200018	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+Na"	22.989218
"757279"	2147.305418	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+Na"	22.989218
"1604405"	731.094618	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Na"	22.989218
"315410"	720.103647	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+H+Na"	23.996494
"711477"	1074.156347	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+H+Na"	23.996494
"1462134"	366.050947	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H+Na"	23.996494
"1055996"	244.369723333333	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2H+Na"	25.00377
"1260227"	741.138886	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+CH3OH+H"	33.033486
"382815"	1455.173958	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+K"	38.963158
"741986"	2163.279358	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+K"	38.963158
"1544037"	747.068558	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+K"	38.963158
"303034"	728.090617	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+H+K"	39.970434
"697650"	1082.143317	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+H+K"	39.970434
"1453659"	374.037917	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H+K"	39.970434
"250652"	1458.244626	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+ACN+H"	42.033826
"1224453"	750.139226	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+ACN+H"	42.033826
"1206151"	375.573251	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+ACN+2H"	43.041102
"200479"	1461.18196	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+2Na-H"	44.97116
"637851"	2169.28736	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+2Na-H"	44.97116
"1135889"	753.07656	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2Na-H"	44.97116
"178087"	731.094618	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+2Na"	45.978436
"613755"	1085.147318	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+2Na"	45.978436
"1116534"	377.041918	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2Na"	45.978436
"1402490"	251.697037333333	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H+2Na"	46.985712
"1432054"	755.118146	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H+HCOOH"	47.012746
"222111"	736.12764	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+3H2O+2H"	56.04448
"1512723"	769.17019	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+IsoProp+H"	61.06479
"414231"	739.081588	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+Na+K"	61.952376
"774135"	1093.134288	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+Na+K"	61.952376
"1669008"	385.028888	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Na+K"	61.952376
"264285"	1480.226568	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+ACN+Na"	64.015768
"1236263"	772.121168	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+ACN+Na"	64.015768
"1727344"	772.144693	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+NH4+HCOOH"	64.039293
"1191606"	259.024351333333	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+3Na"	68.967654
"1661503"	777.100088	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Na+HCOOH"	68.994688
"167271"	1493.12984	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+2K-H"	76.91904
"609387"	2201.23524	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+2K-H"	76.91904
"1096449"	785.02444	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2K-H"	76.91904
"152900"	747.068558	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"2M+2K"	77.926316
"592095"	1101.121258	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"3M+2K"	77.926316
"1068951"	393.015858	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2K"	77.926316
"1102163"	787.038992	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2K+H"	78.933592
"1336724"	787.126607	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+DMSO+H"	79.021207
"1008170"	791.165776	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2ACN+H"	83.060376
"1528483"	792.159408	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+IsoProp+Na+H"	84.054008
"991650"	396.086526	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+2ACN+2H"	84.067652
"1591623"	793.074028	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+K+HCOOH"	84.968628
"1416189"	823.105538	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+H+CF3COOH"	115.000138
"1150849"	416.599801	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+3ACN+2H"	125.094202
"1703680"	840.132085	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+NH4+CF3COOH"	132.026685
"1640425"	845.08748	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+Na+CF3COOH"	136.98208
"1581542"	861.06142	"C18076"	"5-Phosphoguanylyl(3-5)guanosine"	"C20H26N10O15P2"	"708.1054"	"M+K+CF3COOH"	152.95602
"802065"	192.0423	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M"	0
"974302"	173.02391	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"64926"	127.020924	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"505587"	191.035024	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"881565"	63.006824	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"14729"	191.035024	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"451373"	287.056174	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"829905"	95.013874	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"93869"	383.077324	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"532018"	575.119624	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"908725"	191.035024	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"59818"	400.103871	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"500835"	592.146171	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"879407"	208.061571	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"42890"	405.059266	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"481355"	597.101566	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"853688"	213.016966	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1631971"	213.016966	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"106313"	209.023363	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"542593"	305.044513	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"930274"	113.002213	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"270287"	419.054002	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"662706"	611.096302	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1280583"	227.011702	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"26421"	421.033206	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"467075"	613.075506	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"848176"	228.990906	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1570926"	228.990906	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"958048"	237.040494	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"376893"	429.082801	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"361119"	443.098451	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1508162"	251.056151	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"973754"	259.022451	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"125596"	227.011702	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"557722"	323.032852	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1025427"	130.990552	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1248286"	270.961185	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1307453"	273.017172	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1320333"	294.999129	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"914918"	305.027886	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1296003"	341.004564	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1369788"	157.029624	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1388379"	175.0396	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"289160"	385.091876	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"679397"	577.134176	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1354651"	193.049576	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"129729"	193.049576	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"569286"	289.070726	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1045385"	97.028426	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"214383"	129.035476	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"653943"	193.049576	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1169151"	65.021376	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"429142"	402.118423	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"786853"	594.160723	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1684281"	210.076123	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"339126"	201.5628495	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"726082"	297.5839995	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1477833"	105.5416995	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"400767"	407.073818	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"759576"	599.116118	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1606579"	215.031518	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"315399"	204.040547	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"711224"	300.061697	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1461557"	108.019397	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1057199"	72.34869	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1259973"	225.075786	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"381468"	423.047758	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"740636"	615.090058	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1540866"	231.005458	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"299865"	212.027517	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"699947"	308.048667	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1454862"	116.006367	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"250030"	426.118426	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1222737"	234.076126	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1201157"	117.541701	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"191840"	429.05576	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"634681"	621.09806	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1131616"	237.01346	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"178197"	215.031518	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"614352"	311.052668	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1119440"	119.010368	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1404057"	79.676004	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1430704"	239.055046	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"220763"	220.06454	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1512469"	253.10709	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"409969"	223.018488	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"774246"	319.039638	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1666565"	126.997338	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"251524"	448.100368	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1237102"	256.058068	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1727454"	256.081593	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1192809"	87.003318	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1661615"	261.036988	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"169570"	461.00364	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"608768"	653.04594	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1095467"	268.96134	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"154834"	231.005458	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"593298"	327.026608	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1076718"	134.984308	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1106647"	270.975892	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1341938"	271.063507	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1014841"	275.102676	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1532966"	276.096308	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"996134"	138.054976	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1591733"	277.010928	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1416299"	307.042438	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1148772"	158.568251	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1703790"	324.068985	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1646001"	329.02438	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1581652"	344.99832	"C18077"	"Methylenedioxycinnamic acid;MDCA"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"802175"	190.0266	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M"	0
"974515"	171.00821	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-H2O-H"	-19.01839
"63578"	125.677124	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M-3H"	-3.021828
"505697"	189.019324	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M-3H"	-3.021828
"886781"	62.334924	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-3H"	-3.021828
"50"	189.019324	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M-2H"	-2.014552
"448197"	284.032624	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M-2H"	-2.014552
"820531"	94.006024	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-2H"	-2.014552
"80883"	379.045924	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M-H"	-1.007276
"527754"	569.072524	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M-H"	-1.007276
"908470"	189.019324	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-H"	-1.007276
"59929"	396.072471	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M-2H+NH4"	16.019271
"499856"	586.099071	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M-2H+NH4"	16.019271
"872913"	206.045871	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-2H+NH4"	16.019271
"41906"	401.027866	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M-2H+Na"	20.974666
"479277"	591.054466	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M-2H+Na"	20.974666
"853798"	211.001266	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-2H+Na"	20.974666
"1627706"	211.001266	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Na-2H"	20.974666
"104236"	207.007663	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M-H+Cl"	33.962126
"539423"	302.020963	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M-H+Cl"	33.962126
"928927"	111.994363	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-H+Cl"	33.962126
"270396"	415.022602	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+Cl"	34.969402
"660302"	605.049202	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+Cl"	34.969402
"1278506"	224.996002	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Cl"	34.969402
"29448"	417.001806	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M-2H+K"	36.948606
"466821"	607.028406	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M-2H+K"	36.948606
"848253"	226.975206	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-2H+K"	36.948606
"1571002"	226.975206	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+K-2H"	36.948606
"958318"	235.024794	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-H+HCOOH"	44.998194
"377076"	425.051401	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+HCOOH-H"	44.998201
"361144"	439.067051	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+Hac-H"	59.013851
"1507543"	249.040451	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Hac-H"	59.013851
"973141"	257.006751	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-H+NaCOOH"	66.980151
"123741"	224.996002	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+2Cl"	69.938804
"555647"	320.009302	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+2Cl"	69.938804
"1024444"	129.982702	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2Cl"	69.938804
"1248396"	268.945485	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Br"	78.918885
"1305863"	271.001472	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Cl+HCOOH"	80.974872
"1321415"	292.983429	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Cl+NaCOOH"	102.956829
"915028"	303.012186	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M-H+CF3COOH"	112.985586
"1295020"	338.988864	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Cl+CF3COOH"	148.962264
"1369899"	155.013924	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H-2H2O"	-35.012676
"1389583"	173.0239	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H-H2O"	-17.0027
"289270"	381.060476	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+H"	1.007276
"678778"	571.087076	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+H"	1.007276
"1355855"	191.033876	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H"	1.007276
"128746"	191.033876	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+2H"	2.014552
"569396"	286.047176	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+2H"	2.014552
"1041484"	96.020576	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2H"	2.014552
"212667"	127.691676	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+3H"	3.021828
"655875"	191.033876	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+3H"	3.021828
"1169261"	64.349476	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+3H"	3.021828
"429252"	398.087023	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+NH4"	18.033823
"787325"	588.113623	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+NH4"	18.033823
"1682565"	208.060423	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+NH4"	18.033823
"335956"	199.5471495	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+H+NH4"	19.041099
"726189"	294.5604495	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+H+NH4"	19.041099
"1477578"	104.5338495	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H+NH4"	19.041099
"403064"	403.042418	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+Na"	22.989218
"760779"	593.069018	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+Na"	22.989218
"1608876"	213.015818	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Na"	22.989218
"314901"	202.024847	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+H+Na"	23.996494
"709511"	297.038147	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+H+Na"	23.996494
"1461369"	107.011547	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H+Na"	23.996494
"1057309"	71.67679	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2H+Na"	25.00377
"1260083"	223.060086	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+CH3OH+H"	33.033486
"381578"	419.016358	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+K"	38.963158
"740746"	609.042958	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+K"	38.963158
"1541704"	228.989758	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+K"	38.963158
"299973"	210.011817	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+H+K"	39.970434
"693857"	305.025117	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+H+K"	39.970434
"1456066"	114.998517	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H+K"	39.970434
"242480"	422.087026	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+ACN+H"	42.033826
"1219569"	232.060426	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+ACN+H"	42.033826
"1201269"	116.533851	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+ACN+2H"	43.041102
"197419"	425.02436	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+2Na-H"	44.97116
"636978"	615.05096	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+2Na-H"	44.97116
"1140484"	234.99776	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2Na-H"	44.97116
"180494"	213.015818	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+2Na"	45.978436
"616045"	308.029118	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+2Na"	45.978436
"1125747"	118.002518	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2Na"	45.978436
"1408178"	79.004104	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H+2Na"	46.985712
"1432638"	237.039346	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H+HCOOH"	47.012746
"223426"	218.04884	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+3H2O+2H"	56.04448
"1510395"	251.09139	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+IsoProp+H"	61.06479
"411539"	221.002788	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+Na+K"	61.952376
"772170"	316.016088	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+Na+K"	61.952376
"1669230"	125.989488	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Na+K"	61.952376
"252467"	444.068968	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+ACN+Na"	64.015768
"1231014"	254.042368	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+ACN+Na"	64.015768
"1719901"	254.065893	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+NH4+HCOOH"	64.039293
"1194115"	86.331418	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+3Na"	68.967654
"1663546"	259.021288	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Na+HCOOH"	68.994688
"170045"	456.97224	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+2K-H"	76.91904
"610697"	646.99884	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+2K-H"	76.91904
"1097031"	266.94564	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2K-H"	76.91904
"154577"	228.989758	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"2M+2K"	77.926316
"593408"	324.003058	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"3M+2K"	77.926316
"1080107"	133.976458	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2K"	77.926316
"1111131"	268.960192	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2K+H"	78.933592
"1343141"	269.047807	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+DMSO+H"	79.021207
"1014950"	273.086976	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2ACN+H"	83.060376
"1536355"	274.080608	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+IsoProp+Na+H"	84.054008
"998432"	137.047126	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+2ACN+2H"	84.067652
"1591842"	274.995228	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+K+HCOOH"	84.968628
"1417502"	305.026738	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+H+CF3COOH"	115.000138
"1152162"	157.560401	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+3ACN+2H"	125.094202
"1702808"	322.053285	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+NH4+CF3COOH"	132.026685
"1648298"	327.00868	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+Na+CF3COOH"	136.98208
"1576293"	342.98262	"C18078"	"Ayapin"	"C10H6O4"	"190.0266"	"M+K+CF3COOH"	152.95602
"802285"	192.0423	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M"	0
"974960"	173.02391	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"66603"	127.020924	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"505807"	191.035024	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"884704"	63.006824	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"518"	191.035024	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"442109"	287.056174	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"819544"	95.013874	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"80989"	383.077324	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"530413"	575.119624	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"907121"	191.035024	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"57487"	400.103871	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"499598"	592.146171	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"873023"	208.061571	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"40923"	405.059266	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"476107"	597.101566	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"850628"	213.016966	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1624536"	213.016966	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"103253"	209.023363	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"539533"	305.044513	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"928673"	113.002213	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"268437"	419.054002	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"661466"	611.096302	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1277523"	227.011702	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"29194"	421.033206	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"467295"	613.075506	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"848256"	228.990906	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1570791"	228.990906	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"958188"	237.040494	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"376731"	429.082801	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"361308"	443.098451	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1507046"	251.056151	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"972035"	259.022451	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"123487"	227.011702	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"561224"	323.032852	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1028928"	130.990552	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1250693"	270.961185	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1304877"	273.017172	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1321890"	294.999129	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"915138"	305.027886	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1297317"	341.004564	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1372196"	157.029624	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1386413"	175.0396	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"287194"	385.091876	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"682897"	577.134176	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1357060"	193.049576	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"131043"	193.049576	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"572789"	289.070726	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1040500"	97.028426	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"212777"	129.035476	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"654526"	193.049576	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1170464"	65.021376	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"429362"	402.118423	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"787437"	594.160723	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1683038"	210.076123	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"339345"	201.5628495	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"729579"	297.5839995	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1479027"	105.5416995	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"400987"	407.073818	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"759795"	599.116118	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1610079"	215.031518	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"317929"	204.040547	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"708527"	300.061697	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1461892"	108.019397	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1052990"	72.34869	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1259100"	225.075786	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"380587"	423.047758	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"741948"	615.090058	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1542539"	231.005458	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"300812"	212.027517	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"694695"	308.048667	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1456176"	116.006367	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"243683"	426.118426	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1220772"	234.076126	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1199191"	117.541701	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"196435"	429.05576	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"635995"	621.09806	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1137678"	237.01346	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"175136"	215.031518	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"617978"	311.052668	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1124765"	119.010368	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1410478"	79.676004	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1438216"	239.055046	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"223537"	220.06454	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1512692"	253.10709	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"414565"	223.018488	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"773373"	319.039638	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1670070"	126.997338	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"253060"	448.100368	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1230031"	256.058068	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1718917"	256.081593	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1191934"	87.003318	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1659646"	261.036988	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"167601"	461.00364	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"608622"	653.04594	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1094954"	268.96134	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"152500"	231.005458	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"594246"	327.026608	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1078028"	134.984308	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1111237"	270.975892	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1346529"	271.063507	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1018339"	275.102676	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1537924"	276.096308	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"998542"	138.054976	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1591952"	277.010928	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1417612"	307.042438	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1154459"	158.568251	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1704011"	324.068985	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1646221"	329.02438	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1576403"	344.99832	"C18079"	"Isoscopoletin"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"808955"	230.0943	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M"	0
"978113"	211.07591	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"64530"	152.388924	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"509197"	229.087024	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"884814"	75.690824	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"1563"	229.087024	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"445135"	344.134174	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"819290"	114.039874	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"80739"	459.181324	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"519933"	689.275624	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"908324"	229.087024	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"60877"	476.207871	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"499342"	706.302171	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"873133"	246.113571	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"42126"	481.163266	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"479497"	711.257566	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"857298"	251.068966	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1624646"	251.068966	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"101176"	247.075363	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"542923"	362.122513	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"927930"	132.028213	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"268305"	495.158002	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"661214"	725.252302	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1279820"	265.063702	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"29668"	497.137206	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"469592"	727.231506	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"848143"	267.042906	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1570173"	267.042906	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"957603"	275.092494	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"377045"	505.186801	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"360635"	519.202451	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1506790"	289.108151	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"972145"	297.074451	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"123602"	265.063702	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"562427"	380.110852	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1029039"	150.016552	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1251896"	309.013185	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1308877"	311.069172	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1326374"	333.051129	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"917434"	343.079886	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1295240"	379.056564	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1370120"	195.081624	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1389804"	213.0916	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"289490"	461.195876	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"685560"	691.290176	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1357172"	231.101576	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"131153"	231.101576	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"575088"	346.148726	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1039517"	116.054426	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"213980"	154.403476	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"654272"	231.101576	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1169481"	77.705376	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"429472"	478.222423	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"787546"	708.316723	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1682783"	248.128123	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"344922"	239.6148495	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"735156"	354.6619995	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1481324"	124.5676995	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"401097"	483.177818	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"763185"	713.272118	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1610189"	253.083518	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"320226"	242.092547	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"711553"	357.139697	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1462450"	127.045397	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1054240"	85.03269	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1260299"	263.127786	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"379966"	499.151758	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"742423"	729.246058	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1542650"	269.057458	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"300922"	250.079517	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"694807"	365.126667	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1457379"	135.032367	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"245980"	502.222426	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1222704"	272.128126	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1205499"	136.567701	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"198732"	505.15976	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"639021"	735.25406	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1142891"	275.06546	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"184360"	253.083518	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"623555"	368.130668	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1126697"	138.036368	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1411316"	92.360004	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1441242"	277.107046	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"225834"	258.11654	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1514989"	291.15909	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"413582"	261.070488	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"772389"	376.117638	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1668356"	146.023338	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"252687"	524.204368	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1231599"	294.110068	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1720120"	294.133593	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1193138"	99.687318	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1660122"	299.088988	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"166985"	537.10764	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"607640"	767.20194	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1094338"	307.01334	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"152613"	269.057458	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"590346"	384.104608	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1074858"	154.010308	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1110254"	309.027892	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1345546"	309.115507	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1016262"	313.154676	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1538397"	314.148308	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"999744"	157.080976	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1594248"	315.062928	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1421002"	345.094438	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1154569"	177.594251	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1705214"	362.120985	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1646331"	367.07638	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1575420"	383.05032	"C18080"	"Osthenol"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"805785"	216.0423	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M"	0
"976036"	197.02391	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-H2O-H"	-19.01839
"63908"	143.020924	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M-3H"	-3.021828
"508213"	215.035024	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M-3H"	-3.021828
"884924"	71.006824	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-3H"	-3.021828
"701"	215.035024	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M-2H"	-2.014552
"444151"	323.056174	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M-2H"	-2.014552
"819764"	107.013874	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-2H"	-2.014552
"79143"	431.077324	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M-H"	-1.007276
"519676"	647.119624	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M-H"	-1.007276
"905881"	215.035024	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-H"	-1.007276
"59162"	448.103871	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M-2H+NH4"	16.019271
"498723"	664.146171	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M-2H+NH4"	16.019271
"874336"	232.061571	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-2H+NH4"	16.019271
"38956"	453.059266	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M-2H+Na"	20.974666
"476327"	669.101566	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M-2H+Na"	20.974666
"851941"	237.016966	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-2H+Na"	20.974666
"1624756"	237.016966	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Na-2H"	20.974666
"98006"	233.023363	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M-H+Cl"	33.962126
"538660"	341.044513	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M-H+Cl"	33.962126
"927674"	125.002213	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-H+Cl"	33.962126
"268414"	467.054002	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+Cl"	34.969402
"660305"	683.096302	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+Cl"	34.969402
"1274462"	251.011702	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Cl"	34.969402
"29778"	469.033206	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M-2H+K"	36.948606
"469338"	685.075506	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M-2H+K"	36.948606
"847933"	252.990906	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-2H+K"	36.948606
"1570892"	252.990906	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+K-2H"	36.948606
"958297"	261.040494	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-H+HCOOH"	44.998194
"376307"	477.082801	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+HCOOH-H"	44.998201
"361183"	491.098451	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+Hac-H"	59.013851
"1507992"	275.056151	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Hac-H"	59.013851
"972984"	283.022451	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-H+NaCOOH"	66.980151
"124808"	251.011702	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+2Cl"	69.938804
"563630"	359.032852	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+2Cl"	69.938804
"1027326"	142.990552	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2Cl"	69.938804
"1252006"	294.961185	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Br"	78.918885
"1310081"	297.017172	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Cl+HCOOH"	80.974872
"1325391"	318.999129	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Cl+NaCOOH"	102.956829
"918637"	329.027886	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M-H+CF3COOH"	112.985586
"1297537"	365.004564	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Cl+CF3COOH"	148.962264
"1370230"	181.029624	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H-2H2O"	-35.012676
"1389914"	199.0396	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H-H2O"	-17.0027
"289599"	433.091876	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+H"	1.007276
"683116"	649.134176	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+H"	1.007276
"1359466"	217.049576	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H"	1.007276
"131263"	217.049576	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+2H"	2.014552
"573738"	325.070726	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+2H"	2.014552
"1045094"	109.028426	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2H"	2.014552
"214090"	145.035476	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+3H"	3.021828
"653653"	217.049576	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+3H"	3.021828
"1169591"	73.021376	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+3H"	3.021828
"431769"	450.118423	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+NH4"	18.033823
"787295"	666.160723	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+NH4"	18.033823
"1682894"	234.076123	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+NH4"	18.033823
"344668"	225.5628495	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+H+NH4"	19.041099
"735266"	333.5839995	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+H+NH4"	19.041099
"1481434"	117.5416995	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H+NH4"	19.041099
"401207"	455.073818	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+Na"	22.989218
"763295"	671.116118	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+Na"	22.989218
"1610299"	239.031518	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Na"	22.989218
"320336"	228.040547	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+H+Na"	23.996494
"711663"	336.061697	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+H+Na"	23.996494
"1461752"	120.019397	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H+Na"	23.996494
"1054472"	80.34869	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2H+Na"	25.00377
"1260773"	249.075786	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+CH3OH+H"	33.033486
"378617"	471.047758	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+K"	38.963158
"741075"	687.090058	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+K"	38.963158
"1540572"	255.005458	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+K"	38.963158
"299574"	236.027517	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+H+K"	39.970434
"694917"	344.048667	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+H+K"	39.970434
"1457489"	128.006367	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H+K"	39.970434
"246090"	474.118426	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+ACN+H"	42.033826
"1216613"	258.076126	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+ACN+H"	42.033826
"1203785"	129.541701	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+ACN+2H"	43.041102
"198842"	477.05576	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+2Na-H"	44.97116
"635119"	693.09806	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+2Na-H"	44.97116
"1142637"	261.01346	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2Na-H"	44.97116
"184834"	239.031518	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+2Na"	45.978436
"623300"	347.052668	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+2Na"	45.978436
"1127900"	131.010368	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2Na"	45.978436
"1411425"	87.676004	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H+2Na"	46.985712
"1438436"	263.055046	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H+HCOOH"	47.012746
"225944"	244.06454	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+3H2O+2H"	56.04448
"1512183"	277.10709	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+IsoProp+H"	61.06479
"413692"	247.018488	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+Na+K"	61.952376
"771770"	355.039638	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+Na+K"	61.952376
"1667737"	138.997338	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Na+K"	61.952376
"252553"	496.100368	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+ACN+Na"	64.015768
"1232073"	280.058068	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+ACN+Na"	64.015768
"1720230"	280.081593	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+NH4+HCOOH"	64.039293
"1193003"	95.003318	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+3Na"	68.967654
"1659506"	285.036988	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Na+HCOOH"	68.994688
"168189"	509.00364	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+2K-H"	76.91904
"608480"	725.04594	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+2K-H"	76.91904
"1095906"	292.96134	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2K-H"	76.91904
"152723"	255.005458	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"2M+2K"	77.926316
"590456"	363.026608	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"3M+2K"	77.926316
"1071688"	146.984308	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2K"	77.926316
"1110364"	294.975892	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2K+H"	78.933592
"1345656"	295.063507	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+DMSO+H"	79.021207
"1016372"	299.102676	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2ACN+H"	83.060376
"1538506"	300.096308	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+IsoProp+Na+H"	84.054008
"998761"	150.054976	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+2ACN+2H"	84.067652
"1595452"	301.010928	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+K+HCOOH"	84.968628
"1421112"	331.042438	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+H+CF3COOH"	115.000138
"1154679"	170.568251	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+3ACN+2H"	125.094202
"1705324"	348.068985	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+NH4+CF3COOH"	132.026685
"1646441"	353.02438	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+Na+CF3COOH"	136.98208
"1578810"	368.99832	"C18081"	"Sphondin"	"C12H8O4"	"216.0423"	"M+K+CF3COOH"	152.95602
"802615"	216.0423	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M"	0
"976146"	197.02391	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-H2O-H"	-19.01839
"64019"	143.020924	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M-3H"	-3.021828
"503092"	215.035024	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M-3H"	-3.021828
"883938"	71.006824	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-3H"	-3.021828
"192"	215.035024	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M-2H"	-2.014552
"443167"	323.056174	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M-2H"	-2.014552
"817685"	107.013874	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-2H"	-2.014552
"80225"	431.077324	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M-H"	-1.007276
"520515"	647.119624	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M-H"	-1.007276
"904896"	215.035024	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-H"	-1.007276
"51618"	448.103871	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M-2H+NH4"	16.019271
"496646"	664.146171	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M-2H+NH4"	16.019271
"867886"	232.061571	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-2H+NH4"	16.019271
"39065"	453.059266	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M-2H+Na"	20.974666
"471478"	669.101566	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M-2H+Na"	20.974666
"852051"	237.016966	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-2H+Na"	20.974666
"1619398"	237.016966	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Na-2H"	20.974666
"98116"	233.023363	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M-H+Cl"	33.962126
"536583"	341.044513	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M-H+Cl"	33.962126
"929001"	125.002213	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-H+Cl"	33.962126
"268404"	467.054002	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+Cl"	34.969402
"661071"	683.096302	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+Cl"	34.969402
"1273312"	251.011702	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Cl"	34.969402
"23691"	469.033206	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M-2H+K"	36.948606
"468719"	685.075506	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M-2H+K"	36.948606
"848237"	252.990906	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-2H+K"	36.948606
"1571037"	252.990906	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+K-2H"	36.948606
"958268"	261.040494	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-H+HCOOH"	44.998194
"376002"	477.082801	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+HCOOH-H"	44.998201
"361055"	491.098451	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+Hac-H"	59.013851
"1507372"	275.056151	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Hac-H"	59.013851
"971999"	283.022451	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-H+NaCOOH"	66.980151
"124182"	251.011702	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+2Cl"	69.938804
"561556"	359.032852	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+2Cl"	69.938804
"1025977"	142.990552	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2Cl"	69.938804
"1255398"	294.961185	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Br"	78.918885
"1309098"	297.017172	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Cl+HCOOH"	80.974872
"1323313"	318.999129	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Cl+NaCOOH"	102.956829
"916925"	329.027886	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M-H+CF3COOH"	112.985586
"1295461"	365.004564	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Cl+CF3COOH"	148.962264
"1371432"	181.029624	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H-2H2O"	-35.012676
"1385648"	199.0396	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H-H2O"	-17.0027
"288617"	433.091876	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+H"	1.007276
"677757"	649.134176	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+H"	1.007276
"1357388"	217.049576	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H"	1.007276
"127361"	217.049576	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+2H"	2.014552
"568015"	325.070726	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+2H"	2.014552
"1038642"	109.028426	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2H"	2.014552
"205329"	145.035476	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+3H"	3.021828
"648295"	217.049576	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+3H"	3.021828
"1166420"	73.021376	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+3H"	3.021828
"425317"	450.118423	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+NH4"	18.033823
"788497"	666.160723	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+NH4"	18.033823
"1684830"	234.076123	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+NH4"	18.033823
"339675"	225.5628495	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+H+NH4"	19.041099
"732096"	333.5839995	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+H+NH4"	19.041099
"1481544"	117.5416995	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H+NH4"	19.041099
"401317"	455.073818	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+Na"	22.989218
"760125"	671.116118	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+Na"	22.989218
"1609316"	239.031518	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Na"	22.989218
"318260"	228.040547	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+H+Na"	23.996494
"710681"	336.061697	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+H+Na"	23.996494
"1461946"	120.019397	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H+Na"	23.996494
"1057741"	80.34869	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2H+Na"	25.00377
"1257842"	249.075786	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+CH3OH+H"	33.033486
"378241"	471.047758	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+K"	38.963158
"738598"	687.090058	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+K"	38.963158
"1540086"	255.005458	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+K"	38.963158
"298626"	236.027517	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+H+K"	39.970434
"691412"	344.048667	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+H+K"	39.970434
"1445654"	128.006367	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H+K"	39.970434
"241825"	474.118426	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+ACN+H"	42.033826
"1216723"	258.076126	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+ACN+H"	42.033826
"1206810"	129.541701	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+ACN+2H"	43.041102
"197127"	477.05576	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+2Na-H"	44.97116
"636322"	693.09806	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+2Na-H"	44.97116
"1142747"	261.01346	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2Na-H"	44.97116
"177288"	239.031518	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+2Na"	45.978436
"624868"	347.052668	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+2Na"	45.978436
"1126551"	131.010368	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2Na"	45.978436
"1409711"	87.676004	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H+2Na"	46.985712
"1438545"	263.055046	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H+HCOOH"	47.012746
"226054"	244.06454	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+3H2O+2H"	56.04448
"1512293"	277.10709	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+IsoProp+H"	61.06479
"415989"	247.018488	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+Na+K"	61.952376
"770422"	355.039638	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+Na+K"	61.952376
"1665937"	138.997338	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Na+K"	61.952376
"252176"	496.100368	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+ACN+Na"	64.015768
"1230361"	280.058068	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+ACN+Na"	64.015768
"1714141"	280.081593	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+NH4+HCOOH"	64.039293
"1187887"	95.003318	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+3Na"	68.967654
"1661801"	285.036988	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Na+HCOOH"	68.994688
"170121"	509.00364	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+2K-H"	76.91904
"610048"	725.04594	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+2K-H"	76.91904
"1098202"	292.96134	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2K-H"	76.91904
"155020"	255.005458	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"2M+2K"	77.926316
"590566"	363.026608	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"3M+2K"	77.926316
"1077264"	146.984308	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2K"	77.926316
"1108286"	294.975892	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2K+H"	78.933592
"1345765"	295.063507	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+DMSO+H"	79.021207
"1015388"	299.102676	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2ACN+H"	83.060376
"1539103"	300.096308	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+IsoProp+Na+H"	84.054008
"997777"	150.054976	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+2ACN+2H"	84.067652
"1594467"	301.010928	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+K+HCOOH"	84.968628
"1421222"	331.042438	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+H+CF3COOH"	115.000138
"1154789"	170.568251	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+3ACN+2H"	125.094202
"1704341"	348.068985	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+NH4+CF3COOH"	132.026685
"1646551"	353.02438	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+Na+CF3COOH"	136.98208
"1578920"	368.99832	"C18082"	"Isobergapten"	"C12H8O4"	"216.0423"	"M+K+CF3COOH"	152.95602
"812567"	230.0943	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M"	0
"977350"	211.07591	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"64493"	152.388924	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"503812"	229.087024	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"884048"	75.690824	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"1528"	229.087024	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"444370"	344.134174	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"818524"	114.039874	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"80455"	459.181324	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"520625"	689.275624	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"903911"	229.087024	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"51727"	476.207871	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"493474"	706.302171	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"871274"	246.113571	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"39175"	481.163266	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"471612"	711.257566	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"848961"	251.068966	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1618548"	251.068966	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"95066"	247.075363	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"534299"	362.122513	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"928016"	132.028213	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"268393"	495.158002	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"659977"	725.252302	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1272973"	265.063702	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"23801"	497.137206	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"468830"	727.231506	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"848280"	267.042906	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1569395"	267.042906	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"955452"	275.092494	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"374398"	505.186801	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"359741"	519.202451	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1504560"	289.108151	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"972101"	297.074451	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"121008"	265.063702	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"559474"	380.110852	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1023174"	150.016552	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1244937"	309.013185	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1307022"	311.069172	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1321602"	333.051129	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"914485"	343.079886	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1299945"	379.056564	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1373731"	195.081624	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1386853"	213.0916	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"287633"	461.195876	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"678232"	691.290176	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1354581"	231.101576	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"127834"	231.101576	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"573230"	346.148726	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1038745"	116.054426	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"206287"	154.403476	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"645360"	231.101576	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1163611"	77.705376	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"426520"	478.222423	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"787515"	708.316723	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1683117"	248.128123	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"339785"	239.6148495	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"735486"	354.6619995	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1482747"	124.5676995	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"401427"	483.177818	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"760235"	713.272118	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1609426"	253.083518	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"323837"	242.092547	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"714071"	357.139697	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1464608"	127.045397	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1055667"	85.03269	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1259532"	263.127786	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"379201"	499.151758	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"739225"	729.246058	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1539881"	269.057458	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"298664"	250.079517	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"691597"	365.126667	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1446754"	135.032367	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"236084"	502.222426	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1215740"	272.128126	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1204005"	136.567701	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"195051"	505.15976	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"634246"	735.25406	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1143221"	275.06546	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"182140"	253.083518	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"622792"	368.130668	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1126298"	138.036368	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1409822"	92.360004	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1435378"	277.107046	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"229446"	258.11654	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1520788"	291.15909	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"416100"	261.070488	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"770326"	376.117638	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1665800"	146.023338	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"251802"	524.204368	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1232659"	294.110068	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1719359"	294.133593	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1191281"	99.687318	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1659724"	299.088988	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"171324"	537.10764	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"609426"	767.20194	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1097949"	307.01334	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"155736"	269.057458	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"587395"	384.104608	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1075188"	154.010308	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1105118"	309.027892	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1340410"	309.115507	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1013312"	313.154676	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1531436"	314.148308	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"998980"	157.080976	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1594576"	315.062928	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1419143"	345.094438	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1159275"	177.594251	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1703359"	362.120985	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1641195"	367.07638	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1582312"	383.05032	"C18083"	"Demethylsuberosin;7-Demethylsuberosin"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"803199"	202.0266	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M"	0
"977461"	183.00821	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-H2O-H"	-19.01839
"68985"	133.677124	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M-3H"	-3.021828
"511827"	201.019324	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M-3H"	-3.021828
"888539"	66.334924	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-3H"	-3.021828
"6016"	201.019324	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M-2H"	-2.014552
"447765"	302.032624	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M-2H"	-2.014552
"819367"	100.006024	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-2H"	-2.014552
"81906"	403.045924	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M-H"	-1.007276
"519649"	605.072524	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M-H"	-1.007276
"905115"	201.019324	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-H"	-1.007276
"50378"	420.072471	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M-2H+NH4"	16.019271
"495773"	622.099071	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M-2H+NH4"	16.019271
"873571"	218.045871	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-2H+NH4"	16.019271
"41474"	425.027866	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M-2H+Na"	20.974666
"476658"	627.054466	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M-2H+Na"	20.974666
"851179"	223.001266	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-2H+Na"	20.974666
"1625086"	223.001266	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Na-2H"	20.974666
"95175"	219.007663	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M-H+Cl"	33.962126
"536803"	320.020963	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M-H+Cl"	33.962126
"928856"	117.994363	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-H+Cl"	33.962126
"269599"	439.022602	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+Cl"	34.969402
"660442"	641.049202	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+Cl"	34.969402
"1273085"	236.996002	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Cl"	34.969402
"25004"	441.001806	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M-2H+K"	36.948606
"470036"	643.028406	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M-2H+K"	36.948606
"847486"	238.975206	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-2H+K"	36.948606
"1570733"	238.975206	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+K-2H"	36.948606
"957879"	247.024794	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-H+HCOOH"	44.998194
"375613"	449.051401	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+HCOOH-H"	44.998201
"360468"	463.067051	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+Hac-H"	59.013851
"1507598"	261.040451	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Hac-H"	59.013851
"973191"	269.006751	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-H+NaCOOH"	66.980151
"124037"	236.996002	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+2Cl"	69.938804
"562871"	338.009302	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+2Cl"	69.938804
"1025105"	135.982702	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2Cl"	69.938804
"1255258"	280.945485	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Br"	78.918885
"1309684"	283.001472	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Cl+HCOOH"	80.974872
"1325721"	304.983429	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Cl+NaCOOH"	102.956829
"918967"	315.012186	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M-H+CF3COOH"	112.985586
"1302245"	350.988864	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Cl+CF3COOH"	148.962264
"1379310"	167.013924	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H-2H2O"	-35.012676
"1392431"	185.0239	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H-H2O"	-17.0027
"293941"	405.060476	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+H"	1.007276
"684540"	607.087076	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+H"	1.007276
"1356516"	203.033876	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H"	1.007276
"134874"	203.033876	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+2H"	2.014552
"576259"	304.047176	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+2H"	2.014552
"1039956"	102.020576	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2H"	2.014552
"207857"	135.691676	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+3H"	3.021828
"644988"	203.033876	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+3H"	3.021828
"1169920"	68.349476	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+3H"	3.021828
"428820"	422.087023	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+NH4"	18.033823
"787629"	624.113623	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+NH4"	18.033823
"1683959"	220.060423	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+NH4"	18.033823
"333330"	211.5471495	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+H+NH4"	19.041099
"737060"	312.5604495	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+H+NH4"	19.041099
"1492526"	110.5338495	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H+NH4"	19.041099
"407004"	427.042418	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+Na"	22.989218
"769217"	629.069018	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+Na"	22.989218
"1617679"	225.015818	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Na"	22.989218
"328567"	214.024847	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+H+Na"	23.996494
"717464"	315.038147	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+H+Na"	23.996494
"1469099"	113.011547	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H+Na"	23.996494
"1062342"	75.67679	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2H+Na"	25.00377
"1259647"	235.060086	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+CH3OH+H"	33.033486
"378829"	443.016358	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+K"	38.963158
"739218"	645.042958	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+K"	38.963158
"1540094"	240.989758	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+K"	38.963158
"300270"	222.011817	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+H+K"	39.970434
"692446"	323.025117	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+H+K"	39.970434
"1445857"	120.998517	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H+K"	39.970434
"239858"	446.087026	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+ACN+H"	42.033826
"1214755"	244.060426	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+ACN+H"	42.033826
"1201925"	122.533851	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+ACN+2H"	43.041102
"190419"	449.02436	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+2Na-H"	44.97116
"633628"	651.05096	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+2Na-H"	44.97116
"1136766"	246.99776	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2Na-H"	44.97116
"182250"	225.015818	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+2Na"	45.978436
"621444"	326.029118	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+2Na"	45.978436
"1123127"	124.002518	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2Na"	45.978436
"1407745"	83.004104	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H+2Na"	46.985712
"1435488"	249.039346	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H+HCOOH"	47.012746
"229555"	230.04884	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+3H2O+2H"	56.04448
"1517617"	263.09139	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+IsoProp+H"	61.06479
"416210"	233.002788	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+Na+K"	61.952376
"778299"	334.016088	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+Na+K"	61.952376
"1668068"	131.989488	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Na+K"	61.952376
"251472"	468.068968	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+ACN+Na"	64.015768
"1232768"	266.042368	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+ACN+Na"	64.015768
"1720561"	266.065893	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+NH4+HCOOH"	64.039293
"1190296"	90.331418	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+3Na"	68.967654
"1661293"	271.021288	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Na+HCOOH"	68.994688
"166697"	480.97224	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+2K-H"	76.91904
"609171"	682.99884	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+2K-H"	76.91904
"1096235"	278.94564	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2K-H"	76.91904
"153780"	240.989758	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"2M+2K"	77.926316
"587505"	342.003058	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"3M+2K"	77.926316
"1074203"	139.976458	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2K"	77.926316
"1106319"	280.960192	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2K+H"	78.933592
"1340517"	281.047807	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+DMSO+H"	79.021207
"1006859"	285.086976	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2ACN+H"	83.060376
"1529359"	286.080608	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+IsoProp+Na+H"	84.054008
"996902"	143.047126	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+2ACN+2H"	84.067652
"1594686"	286.995228	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+K+HCOOH"	84.968628
"1424719"	317.026738	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+H+CF3COOH"	115.000138
"1157193"	163.560401	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+3ACN+2H"	125.094202
"1705651"	334.053285	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+NH4+CF3COOH"	132.026685
"1648957"	339.00868	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+Na+CF3COOH"	136.98208
"1582422"	354.98262	"C18084"	"Isobergaptol"	"C11H6O4"	"202.0266"	"M+K+CF3COOH"	152.95602
"803308"	202.0266	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M"	0
"977570"	183.00821	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-H2O-H"	-19.01839
"64713"	133.677124	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M-3H"	-3.021828
"513030"	201.019324	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M-3H"	-3.021828
"893021"	66.334924	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-3H"	-3.021828
"6126"	201.019324	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M-2H"	-2.014552
"446781"	302.032624	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M-2H"	-2.014552
"819113"	100.006024	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-2H"	-2.014552
"82745"	403.045924	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M-H"	-1.007276
"520487"	605.072524	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M-H"	-1.007276
"897935"	201.019324	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-H"	-1.007276
"49030"	420.072471	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M-2H+NH4"	16.019271
"494788"	622.099071	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M-2H+NH4"	16.019271
"871494"	218.045871	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-2H+NH4"	16.019271
"41583"	425.027866	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M-2H+Na"	20.974666
"476768"	627.054466	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M-2H+Na"	20.974666
"849586"	223.001266	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-2H+Na"	20.974666
"1621915"	223.001266	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Na-2H"	20.974666
"98446"	219.007663	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M-H+Cl"	33.962126
"540193"	320.020963	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M-H+Cl"	33.962126
"931519"	117.994363	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-H+Cl"	33.962126
"270438"	439.022602	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+Cl"	34.969402
"662861"	641.049202	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+Cl"	34.969402
"1274292"	236.996002	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Cl"	34.969402
"24021"	441.001806	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M-2H+K"	36.948606
"464675"	643.028406	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M-2H+K"	36.948606
"848406"	238.975206	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-2H+K"	36.948606
"1571039"	238.975206	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+K-2H"	36.948606
"958030"	247.024794	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-H+HCOOH"	44.998194
"375966"	449.051401	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+HCOOH-H"	44.998201
"361307"	463.067051	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+Hac-H"	59.013851
"1507708"	261.040451	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Hac-H"	59.013851
"970137"	269.006751	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-H+NaCOOH"	66.980151
"120138"	236.996002	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+2Cl"	69.938804
"556418"	338.009302	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+2Cl"	69.938804
"1027764"	135.982702	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2Cl"	69.938804
"1255727"	280.945485	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Br"	78.918885
"1312708"	283.001472	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Cl+HCOOH"	80.974872
"1328016"	304.983429	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Cl+NaCOOH"	102.956829
"919077"	315.012186	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M-H+CF3COOH"	112.985586
"1301260"	350.988864	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Cl+CF3COOH"	148.962264
"1377233"	167.013924	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H-2H2O"	-35.012676
"1390354"	185.0239	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H-H2O"	-17.0027
"292594"	405.060476	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+H"	1.007276
"682463"	607.087076	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+H"	1.007276
"1355532"	203.033876	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H"	1.007276
"130609"	203.033876	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+2H"	2.014552
"578555"	304.047176	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+2H"	2.014552
"1042252"	102.020576	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2H"	2.014552
"209058"	135.691676	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+3H"	3.021828
"646436"	203.033876	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+3H"	3.021828
"1167842"	68.349476	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+3H"	3.021828
"428930"	422.087023	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+NH4"	18.033823
"787739"	624.113623	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+NH4"	18.033823
"1684069"	220.060423	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+NH4"	18.033823
"333440"	211.5471495	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+H+NH4"	19.041099
"737166"	312.5604495	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+H+NH4"	19.041099
"1492542"	110.5338495	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H+NH4"	19.041099
"406749"	427.042418	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+Na"	22.989218
"769207"	629.069018	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+Na"	22.989218
"1618348"	225.015818	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Na"	22.989218
"325157"	214.024847	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+H+Na"	23.996494
"720854"	315.038147	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+H+Na"	23.996494
"1473583"	113.011547	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H+Na"	23.996494
"1063546"	75.67679	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2H+Na"	25.00377
"1263038"	235.060086	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+CH3OH+H"	33.033486
"378335"	443.016358	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+K"	38.963158
"739816"	645.042958	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+K"	38.963158
"1540776"	240.989758	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+K"	38.963158
"302202"	222.011817	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+H+K"	39.970434
"696446"	323.025117	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+H+K"	39.970434
"1446619"	120.998517	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H+K"	39.970434
"241061"	446.087026	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+ACN+H"	42.033826
"1215958"	244.060426	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+ACN+H"	42.033826
"1202035"	122.533851	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+ACN+2H"	43.041102
"189921"	449.02436	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+2Na-H"	44.97116
"636654"	651.05096	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+2Na-H"	44.97116
"1133596"	246.99776	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2Na-H"	44.97116
"183091"	225.015818	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+2Na"	45.978436
"620826"	326.029118	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+2Na"	45.978436
"1125424"	124.002518	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2Na"	45.978436
"1409677"	83.004104	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H+2Na"	46.985712
"1441066"	249.039346	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H+HCOOH"	47.012746
"229665"	230.04884	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+3H2O+2H"	56.04448
"1518820"	263.09139	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+IsoProp+H"	61.06479
"413039"	233.002788	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+Na+K"	61.952376
"778409"	334.016088	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+Na+K"	61.952376
"1668178"	131.989488	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Na+K"	61.952376
"252510"	468.068968	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+ACN+Na"	64.015768
"1231785"	266.042368	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+ACN+Na"	64.015768
"1718484"	266.065893	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+NH4+HCOOH"	64.039293
"1189312"	90.331418	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+3Na"	68.967654
"1661040"	271.021288	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Na+HCOOH"	68.994688
"169358"	480.97224	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+2K-H"	76.91904
"610008"	682.99884	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+2K-H"	76.91904
"1097072"	278.94564	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2K-H"	76.91904
"154254"	240.989758	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"2M+2K"	77.926316
"587615"	342.003058	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"3M+2K"	77.926316
"1075408"	139.976458	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2K"	77.926316
"1106431"	280.960192	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2K+H"	78.933592
"1340628"	281.047807	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+DMSO+H"	79.021207
"1009157"	285.086976	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2ACN+H"	83.060376
"1530563"	286.080608	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+IsoProp+Na+H"	84.054008
"997012"	143.047126	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+2ACN+2H"	84.067652
"1595889"	286.995228	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+K+HCOOH"	84.968628
"1424830"	317.026738	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+H+CF3COOH"	115.000138
"1156210"	163.560401	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+3ACN+2H"	125.094202
"1706854"	334.053285	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+NH4+CF3COOH"	132.026685
"1646879"	339.00868	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+Na+CF3COOH"	136.98208
"1582532"	354.98262	"C18085"	"6-Hydroxyangelicin;Heratomol"	"C11H6O4"	"202.0266"	"M+K+CF3COOH"	152.95602
"806339"	165.079	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M"	0
"986435"	146.06061	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"71398"	109.045390666667	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"509865"	164.071724	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"889853"	54.0190573333333	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"2963"	164.071724	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"449091"	246.611224	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"829445"	81.532224	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"90894"	329.150724	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"526445"	494.229724	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"907163"	164.071724	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"56433"	346.177271	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"493806"	511.256271	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"865895"	181.098271	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"40602"	351.132666	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"477975"	516.211666	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"852496"	186.053666	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1628592"	186.053666	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"100747"	182.060063	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"549431"	264.599563	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"942090"	99.520563	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"282678"	365.127402	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"672461"	530.206402	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1288150"	200.048402	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"31272"	367.106606	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"470624"	532.185606	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"847336"	202.027606	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1566811"	202.027606	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"956521"	210.077194	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"375097"	375.156201	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"356060"	389.171851	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1503808"	224.092851	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"970619"	232.059151	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"122812"	200.048402	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"559820"	282.587902	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1031903"	117.508902	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1248199"	243.997885	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1316113"	246.053872	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1331420"	268.035829	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"923212"	278.064586	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1294813"	314.041264	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1375158"	130.066324	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1387192"	148.0763	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"290155"	331.165276	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"681489"	496.244276	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1364404"	166.086276	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"140901"	166.086276	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"580136"	248.625776	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1051122"	83.546776	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"216834"	111.059942666667	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"652019"	166.086276	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1174521"	56.0336093333333	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"436701"	348.191823	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"797334"	513.270823	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1695119"	183.112823	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"344128"	174.5995495	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"733633"	257.1390495	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1491706"	92.0600495	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"397387"	353.147218	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"761663"	518.226218	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1607574"	188.068218	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"316880"	177.077247	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"708939"	259.616747	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1466034"	94.537747	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1054910"	63.3609233333333	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1259869"	198.112486	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"379048"	369.121158	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"740533"	534.200158	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1543683"	204.042158	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"300126"	185.064217	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"702039"	267.603717	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1453672"	102.524717	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"243366"	372.191826	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1222640"	207.112826	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1207499"	104.060051	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"200125"	375.12916	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"639684"	540.20816	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1144284"	210.05016	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"186119"	188.068218	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"624583"	270.607718	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1128819"	105.528718	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1410520"	70.6882373333333	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1438989"	212.091746	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"225408"	193.10124	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1517847"	226.14379	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"419717"	196.055188	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"779622"	278.594688	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1678148"	113.515688	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"263579"	394.173768	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1240175"	229.094768	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1723351"	229.118293	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1189070"	78.0155513333333	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1661148"	234.073688	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"170195"	407.07704	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"610119"	572.15604	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1094995"	241.99804	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"154364"	204.042158	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"592465"	286.581658	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1079529"	121.502658	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1109820"	244.012592	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1337824"	244.100207	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1006109"	248.139376	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1524471"	249.133008	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"993113"	124.573326	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1588466"	250.047628	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1415098"	280.079138	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1148668"	145.086601	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1699315"	297.105685	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1638247"	302.06108	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1572804"	318.03502	"C18090"	"Tricaine;3-Aminobenzoic acid;m-Aminobenzoate"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"806449"	74.0242	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M"	0
"986545"	55.00581	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-H2O-H"	-19.01839
"72602"	48.3421906666667	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M-3H"	-3.021828
"509975"	73.016924	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M-3H"	-3.021828
"889964"	23.6674573333333	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-3H"	-3.021828
"1980"	73.016924	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M-2H"	-2.014552
"449201"	110.029024	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M-2H"	-2.014552
"828825"	36.004824	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-2H"	-2.014552
"88087"	147.041124	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M-H"	-1.007276
"530928"	221.065324	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M-H"	-1.007276
"906543"	73.016924	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-H"	-1.007276
"56543"	164.067671	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M-2H+NH4"	16.019271
"493917"	238.091871	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M-2H+NH4"	16.019271
"868437"	90.043471	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-2H+NH4"	16.019271
"39619"	169.023066	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M-2H+Na"	20.974666
"476992"	243.047266	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M-2H+Na"	20.974666
"855886"	94.998866	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-2H+Na"	20.974666
"1627609"	94.998866	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Na-2H"	20.974666
"101950"	91.005263	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M-H+Cl"	33.962126
"548809"	128.017363	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M-H+Cl"	33.962126
"942325"	53.993163	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-H+Cl"	33.962126
"282830"	183.017802	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+Cl"	34.969402
"673664"	257.042002	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+Cl"	34.969402
"1288179"	108.993602	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Cl"	34.969402
"29352"	184.997006	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M-2H+K"	36.948606
"470006"	259.021206	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M-2H+K"	36.948606
"848340"	110.972806	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-2H+K"	36.948606
"1566921"	110.972806	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+K-2H"	36.948606
"957644"	119.022394	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-H+HCOOH"	44.998194
"372655"	193.046601	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+HCOOH-H"	44.998201
"355078"	207.062251	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+Hac-H"	59.013851
"1506470"	133.038051	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Hac-H"	59.013851
"971822"	141.004351	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-H+NaCOOH"	66.980151
"123287"	108.993602	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+2Cl"	69.938804
"562118"	146.005702	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+2Cl"	69.938804
"1032012"	71.981502	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2Cl"	69.938804
"1250495"	152.943085	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Br"	78.918885
"1317681"	154.999072	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Cl+HCOOH"	80.974872
"1331530"	176.981029	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Cl+NaCOOH"	102.956829
"925144"	187.009786	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M-H+CF3COOH"	112.985586
"1294923"	222.986464	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Cl+CF3COOH"	148.962264
"1375268"	39.011524	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H-2H2O"	-35.012676
"1389488"	57.0215	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H-H2O"	-17.0027
"287351"	149.055676	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+H"	1.007276
"684879"	223.079876	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+H"	1.007276
"1363420"	75.031476	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H"	1.007276
"133026"	75.031476	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+2H"	2.014552
"576960"	112.043576	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+2H"	2.014552
"1049041"	38.019376	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2H"	2.014552
"218037"	50.3567426666667	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+3H"	3.021828
"653221"	75.031476	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+3H"	3.021828
"1174631"	25.6820093333333	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+3H"	3.021828
"434624"	166.082223	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+NH4"	18.033823
"799628"	240.106423	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+NH4"	18.033823
"1691950"	92.058023	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+NH4"	18.033823
"342414"	83.5447495	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+H+NH4"	19.041099
"730463"	120.5568495	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+H+NH4"	19.041099
"1484284"	46.5326495	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H+NH4"	19.041099
"395672"	171.037618	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+Na"	22.989218
"758856"	245.061818	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+Na"	22.989218
"1608777"	97.013418	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Na"	22.989218
"316626"	86.022447	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+H+Na"	23.996494
"709048"	123.034547	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+H+Na"	23.996494
"1462501"	49.010347	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H+Na"	23.996494
"1054654"	33.0093233333333	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2H+Na"	25.00377
"1259980"	107.057686	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+CH3OH+H"	33.033486
"377658"	187.011558	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+K"	38.963158
"741371"	261.035758	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+K"	38.963158
"1542700"	112.987358	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+K"	38.963158
"300969"	94.009417	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+H+K"	39.970434
"703242"	131.021517	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+H+K"	39.970434
"1453782"	56.997317	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H+K"	39.970434
"243476"	190.082226	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+ACN+H"	42.033826
"1221656"	116.058026	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+ACN+H"	42.033826
"1209717"	58.532651	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+ACN+2H"	43.041102
"200234"	193.01956	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+2Na-H"	44.97116
"640888"	267.04376	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+2Na-H"	44.97116
"1142573"	118.99536	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2Na-H"	44.97116
"186229"	97.013418	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+2Na"	45.978436
"626152"	134.025518	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+2Na"	45.978436
"1124553"	60.001318	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2Na"	45.978436
"1412818"	40.3366373333333	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H+2Na"	46.985712
"1444203"	121.036946	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H+HCOOH"	47.012746
"225516"	102.04644	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+3H2O+2H"	56.04448
"1516864"	135.08899	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+IsoProp+H"	61.06479
"419463"	105.000388	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+Na+K"	61.952376
"778639"	142.012488	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+Na+K"	61.952376
"1678258"	67.988288	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Na+K"	61.952376
"265510"	212.064168	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+ACN+Na"	64.015768
"1239557"	138.039968	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+ACN+Na"	64.015768
"1723096"	138.063493	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+NH4+HCOOH"	64.039293
"1190637"	47.6639513333333	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+3Na"	68.967654
"1661258"	143.018888	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Na+HCOOH"	68.994688
"169939"	224.96744	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+2K-H"	76.91904
"610232"	298.99164	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+2K-H"	76.91904
"1096198"	150.94324	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2K-H"	76.91904
"155446"	112.987358	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"2M+2K"	77.926316
"596100"	149.999458	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"3M+2K"	77.926316
"1081463"	75.975258	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2K"	77.926316
"1113577"	152.957792	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2K+H"	78.933592
"1337569"	153.045407	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+DMSO+H"	79.021207
"1007674"	157.084576	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2ACN+H"	83.060376
"1524580"	158.078208	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+IsoProp+Na+H"	84.054008
"991154"	79.045926	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+2ACN+2H"	84.067652
"1589548"	158.992828	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+K+HCOOH"	84.968628
"1418490"	189.024338	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+H+CF3COOH"	115.000138
"1150965"	99.559201	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+3ACN+2H"	125.094202
"1698697"	206.050885	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+NH4+CF3COOH"	132.026685
"1641637"	211.00628	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+Na+CF3COOH"	136.98208
"1572914"	226.98022	"C18091"	"Ethylnitronate"	"C2H4NO2"	"74.0242"	"M+K+CF3COOH"	152.95602
"813122"	531.1019	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M"	0
"986655"	512.08351	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-H2O-H"	-19.01839
"71618"	353.060657333333	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M-3H"	-3.021828
"510085"	530.094624	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M-3H"	-3.021828
"890074"	176.026690666667	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-3H"	-3.021828
"4276"	530.094624	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M-2H"	-2.014552
"450404"	795.645574	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M-2H"	-2.014552
"827111"	264.543674	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-2H"	-2.014552
"89289"	1061.196524	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M-H"	-1.007276
"530674"	1592.298424	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M-H"	-1.007276
"907383"	530.094624	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-H"	-1.007276
"56653"	1078.223071	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M-2H+NH4"	16.019271
"496943"	1609.324971	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M-2H+NH4"	16.019271
"872921"	547.121171	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-2H+NH4"	16.019271
"46292"	1083.178466	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M-2H+Na"	20.974666
"477102"	1614.280366	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M-2H+Na"	20.974666
"853810"	552.076566	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-2H+Na"	20.974666
"1627355"	552.076566	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Na-2H"	20.974666
"100967"	548.082963	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M-H+Cl"	33.962126
"549243"	813.633913	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M-H+Cl"	33.962126
"941945"	282.532013	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-H+Cl"	33.962126
"282659"	1097.173202	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+Cl"	34.969402
"673774"	1628.275102	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+Cl"	34.969402
"1286178"	566.071302	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Cl"	34.969402
"29097"	1099.152406	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M-2H+K"	36.948606
"469751"	1630.254306	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M-2H+K"	36.948606
"846460"	568.050506	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-2H+K"	36.948606
"1568124"	568.050506	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+K-2H"	36.948606
"956373"	576.100094	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-H+HCOOH"	44.998194
"372765"	1107.202001	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+HCOOH-H"	44.998201
"355189"	1121.217651	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+Hac-H"	59.013851
"1506822"	590.115751	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Hac-H"	59.013851
"970474"	598.082051	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-H+NaCOOH"	66.980151
"122301"	566.071302	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+2Cl"	69.938804
"561131"	831.622252	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+2Cl"	69.938804
"1031757"	300.520352	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2Cl"	69.938804
"1251698"	610.020785	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Br"	78.918885
"1311959"	612.076772	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Cl+HCOOH"	80.974872
"1328360"	634.058729	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Cl+NaCOOH"	102.956829
"919417"	644.087486	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M-H+CF3COOH"	112.985586
"1295033"	680.064164	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Cl+CF3COOH"	148.962264
"1373192"	496.089224	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H-2H2O"	-35.012676
"1388505"	514.0992	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H-H2O"	-17.0027
"287097"	1063.211076	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+H"	1.007276
"683896"	1594.312976	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+H"	1.007276
"1362437"	532.109176	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H"	1.007276
"133136"	532.109176	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+2H"	2.014552
"575977"	797.660126	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+2H"	2.014552
"1049151"	266.558226	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2H"	2.014552
"217054"	355.075209333333	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+3H"	3.021828
"656613"	532.109176	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+3H"	3.021828
"1174741"	178.041242666667	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+3H"	3.021828
"434734"	1080.237623	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+NH4"	18.033823
"797916"	1611.339523	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+NH4"	18.033823
"1692060"	549.135723	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+NH4"	18.033823
"341431"	540.6224495	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+H+NH4"	19.041099
"728749"	806.1733995	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+H+NH4"	19.041099
"1479654"	275.0714995	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H+NH4"	19.041099
"396146"	1085.193018	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+Na"	22.989218
"757504"	1616.294918	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+Na"	22.989218
"1604874"	554.091118	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Na"	22.989218
"317464"	543.100147	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+H+Na"	23.996494
"710981"	808.651097	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+H+Na"	23.996494
"1461638"	277.549197	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H+Na"	23.996494
"1052976"	185.368556666667	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2H+Na"	25.00377
"1257172"	564.135386	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+CH3OH+H"	33.033486
"380850"	1101.166958	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+K"	38.963158
"740022"	1632.268858	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+K"	38.963158
"1548280"	570.065058	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+K"	38.963158
"305455"	551.087117	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+H+K"	39.970434
"703352"	816.638067	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+H+K"	39.970434
"1450612"	285.536167	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H+K"	39.970434
"242493"	1104.237626	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+H"	42.033826
"1222862"	573.135726	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+ACN+H"	42.033826
"1208933"	287.071501	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+ACN+2H"	43.041102
"199980"	1107.17496	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+2Na-H"	44.97116
"641360"	1638.27686	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+2Na-H"	44.97116
"1143046"	576.07306	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2Na-H"	44.97116
"187068"	554.091118	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+2Na"	45.978436
"624074"	819.642068	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+2Na"	45.978436
"1125756"	288.540168	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2Na"	45.978436
"1407095"	192.695870666667	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H+2Na"	46.985712
"1441397"	578.114646	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H+HCOOH"	47.012746
"226719"	559.12414	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+3H2O+2H"	56.04448
"1519160"	592.16669	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+H"	61.06479
"418846"	562.078088	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+Na+K"	61.952376
"780937"	827.629038	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+Na+K"	61.952376
"1681001"	296.527138	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Na+K"	61.952376
"265255"	1126.219568	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+ACN+Na"	64.015768
"1239425"	595.117668	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+ACN+Na"	64.015768
"1727216"	595.141193	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+NH4+HCOOH"	64.039293
"1191112"	200.023184666667	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+3Na"	68.967654
"1662827"	600.096588	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Na+HCOOH"	68.994688
"171143"	1139.12284	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+2K-H"	76.91904
"611797"	1670.22474	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+2K-H"	76.91904
"1096308"	608.02094	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2K-H"	76.91904
"155677"	570.065058	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"2M+2K"	77.926316
"594875"	835.616008	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"3M+2K"	77.926316
"1081938"	304.514108	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2K"	77.926316
"1112229"	610.035492	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2K+H"	78.933592
"1340959"	610.123107	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+DMSO+H"	79.021207
"1007421"	614.162276	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+H"	83.060376
"1526520"	615.155908	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+IsoProp+Na+H"	84.054008
"990533"	307.584776	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+2ACN+2H"	84.067652
"1588808"	616.070528	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+K+HCOOH"	84.968628
"1415560"	646.102038	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+H+CF3COOH"	115.000138
"1153265"	328.098051	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+3ACN+2H"	125.094202
"1706096"	663.128585	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+NH4+CF3COOH"	132.026685
"1641748"	668.08398	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+Na+CF3COOH"	136.98208
"1574118"	684.05792	"C18092"	"dTDP-L-ristosamine;dTDP-3-amino-236-trideoxy-L-allose;dTDP-3-amino-236-trideoxy-L-ribo-hexose"	"C16H27N3O13P2"	"531.1019"	"M+K+CF3COOH"	152.95602
"806669"	597.8111	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M"	0
"984579"	578.79271	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-H2O-H"	-19.01839
"75009"	397.533457333333	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M-3H"	-3.021828
"511288"	596.803824	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M-3H"	-3.021828
"891278"	198.263090666667	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-3H"	-3.021828
"4386"	596.803824	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M-2H"	-2.014552
"450150"	895.709374	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M-2H"	-2.014552
"820660"	297.898274	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-2H"	-2.014552
"86119"	1194.614924	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M-H"	-1.007276
"528961"	1792.426024	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M-H"	-1.007276
"909317"	596.803824	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-H"	-1.007276
"56763"	1211.641471	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M-2H+NH4"	16.019271
"495960"	1809.452571	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M-2H+NH4"	16.019271
"871938"	613.830371	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-2H+NH4"	16.019271
"44579"	1216.596866	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M-2H+Na"	20.974666
"480492"	1814.407966	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M-2H+Na"	20.974666
"853920"	618.785766	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-2H+Na"	20.974666
"1626735"	618.785766	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Na-2H"	20.974666
"102170"	614.792163	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M-H+Cl"	33.962126
"548664"	913.697713	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M-H+Cl"	33.962126
"941084"	315.886613	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-H+Cl"	33.962126
"280978"	1230.591602	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+Cl"	34.969402
"673884"	1828.402702	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+Cl"	34.969402
"1281913"	632.780502	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Cl"	34.969402
"26291"	1232.570806	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M-2H+K"	36.948606
"468766"	1830.381906	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M-2H+K"	36.948606
"840738"	634.759706	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-2H+K"	36.948606
"1566410"	634.759706	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+K-2H"	36.948606
"954660"	642.809294	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-H+HCOOH"	44.998194
"371782"	1240.620401	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+HCOOH-H"	44.998201
"357124"	1254.636051	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+Hac-H"	59.013851
"1503043"	656.824951	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Hac-H"	59.013851
"969125"	664.791251	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-H+NaCOOH"	66.980151
"120587"	632.780502	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+2Cl"	69.938804
"560513"	931.686052	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+2Cl"	69.938804
"1032595"	333.874952	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2Cl"	69.938804
"1248527"	676.729985	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Br"	78.918885
"1313161"	678.785972	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Cl+HCOOH"	80.974872
"1331750"	700.767929	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Cl+NaCOOH"	102.956829
"921714"	710.796686	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M-H+CF3COOH"	112.985586
"1294050"	746.773364	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Cl+CF3COOH"	148.962264
"1372574"	562.798424	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H-2H2O"	-35.012676
"1388613"	580.8084	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H-H2O"	-17.0027
"291582"	1196.629476	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+H"	1.007276
"685097"	1794.440576	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+H"	1.007276
"1361454"	598.818376	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H"	1.007276
"135433"	598.818376	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+2H"	2.014552
"574994"	897.723926	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+2H"	2.014552
"1048168"	299.912826	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2H"	2.014552
"217164"	399.548009333333	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+3H"	3.021828
"654539"	598.818376	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+3H"	3.021828
"1173758"	200.277642666667	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+3H"	3.021828
"432657"	1213.656023	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+NH4"	18.033823
"796932"	1811.467123	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+NH4"	18.033823
"1692170"	615.844923	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+NH4"	18.033823
"339355"	607.3316495	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+H+NH4"	19.041099
"723268"	906.2371995	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+H+NH4"	19.041099
"1479400"	308.4260995	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H+NH4"	19.041099
"395526"	1218.611418	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+Na"	22.989218
"767455"	1816.422518	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+Na"	22.989218
"1607536"	620.800318	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Na"	22.989218
"316845"	609.809347	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+H+Na"	23.996494
"710363"	908.714897	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+H+Na"	23.996494
"1463450"	310.903797	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H+Na"	23.996494
"1053899"	207.604956666667	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2H+Na"	25.00377
"1257767"	630.844586	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+CH3OH+H"	33.033486
"380961"	1234.585358	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+K"	38.963158
"739525"	1832.396458	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+K"	38.963158
"1547297"	636.774258	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+K"	38.963158
"305565"	617.796317	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+H+K"	39.970434
"702734"	916.701867	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+H+K"	39.970434
"1449629"	318.890767	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H+K"	39.970434
"242603"	1237.656026	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+ACN+H"	42.033826
"1224796"	639.844926	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+ACN+H"	42.033826
"1207950"	320.426101	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+ACN+2H"	43.041102
"199361"	1240.59336	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+2Na-H"	44.97116
"633819"	1838.40446	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+2Na-H"	44.97116
"1135138"	642.78226	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2Na-H"	44.97116
"185356"	620.800318	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+2Na"	45.978436
"620176"	919.705868	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+2Na"	45.978436
"1126962"	321.894768	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2Na"	45.978436
"1410121"	214.932270666667	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H+2Na"	46.985712
"1440414"	644.823846	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H+HCOOH"	47.012746
"227924"	625.83334	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+3H2O+2H"	56.04448
"1518905"	658.87589	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+IsoProp+H"	61.06479
"421147"	628.787288	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+Na+K"	61.952376
"784336"	927.692838	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+Na+K"	61.952376
"1678479"	329.881738	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Na+K"	61.952376
"266827"	1259.637968	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+ACN+Na"	64.015768
"1238439"	661.826868	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+ACN+Na"	64.015768
"1727324"	661.850393	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+NH4+HCOOH"	64.039293
"1190494"	222.259584666667	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+3Na"	68.967654
"1661841"	666.805788	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Na+HCOOH"	68.994688
"170162"	1272.54124	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+2K-H"	76.91904
"610452"	1870.35234	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+2K-H"	76.91904
"1097881"	674.73014	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2K-H"	76.91904
"154697"	636.774258	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"2M+2K"	77.926316
"595350"	935.679808	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"3M+2K"	77.926316
"1079858"	337.868708	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2K"	77.926316
"1113798"	676.744692	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2K+H"	78.933592
"1343256"	676.832307	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+DMSO+H"	79.021207
"1007410"	680.871476	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2ACN+H"	83.060376
"1526630"	681.865108	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+IsoProp+Na+H"	84.054008
"991010"	340.939376	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+2ACN+2H"	84.067652
"1588067"	682.779728	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+K+HCOOH"	84.968628
"1416523"	712.811238	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+H+CF3COOH"	115.000138
"1153375"	361.452651	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+3ACN+2H"	125.094202
"1708392"	729.837785	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+NH4+CF3COOH"	132.026685
"1641857"	734.79318	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+Na+CF3COOH"	136.98208
"1574228"	750.76712	"C18093"	"Iopodic acid"	"C12H13I3N2O2"	"597.8111"	"M+K+CF3COOH"	152.95602
"815898"	536.0445	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M"	0
"981411"	517.02611	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-H2O-H"	-19.01839
"71841"	356.355724	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M-3H"	-3.021828
"514680"	535.037224	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M-3H"	-3.021828
"891393"	177.674224	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-3H"	-3.021828
"14468"	535.037224	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H"	-2.014552
"452447"	803.059474	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H"	-2.014552
"830249"	267.014974	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-2H"	-2.014552
"93406"	1071.081724	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M-H"	-1.007276
"532113"	1607.126224	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M-H"	-1.007276
"910524"	535.037224	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-H"	-1.007276
"59427"	1088.108271	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+NH4"	16.019271
"502157"	1624.152771	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+NH4"	16.019271
"878494"	552.063771	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-2H+NH4"	16.019271
"44689"	1093.063666	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+Na"	20.974666
"486323"	1629.108166	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+Na"	20.974666
"861323"	557.019166	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-2H+Na"	20.974666
"1633662"	557.019166	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Na-2H"	20.974666
"108607"	553.025563	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M-H+Cl"	33.962126
"549021"	821.047813	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M-H+Cl"	33.962126
"941318"	285.003313	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-H+Cl"	33.962126
"281455"	1107.058402	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+Cl"	34.969402
"673388"	1643.102902	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+Cl"	34.969402
"1285913"	571.013902	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl"	34.969402
"25674"	1109.037606	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M-2H+K"	36.948606
"464142"	1645.082106	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M-2H+K"	36.948606
"846318"	572.993106	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-2H+K"	36.948606
"1566527"	572.993106	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+K-2H"	36.948606
"955503"	581.042694	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-H+HCOOH"	44.998194
"372989"	1117.087201	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+HCOOH-H"	44.998201
"353225"	1131.102851	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+Hac-H"	59.013851
"1501696"	595.058351	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Hac-H"	59.013851
"969604"	603.024651	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-H+NaCOOH"	66.980151
"123616"	571.013902	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+2Cl"	69.938804
"559166"	839.036152	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+2Cl"	69.938804
"1031247"	302.991652	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2Cl"	69.938804
"1251553"	614.963385	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Br"	78.918885
"1309991"	617.019372	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+HCOOH"	80.974872
"1330767"	639.001329	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+NaCOOH"	102.956829
"920734"	649.030086	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M-H+CF3COOH"	112.985586
"1301817"	685.006764	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Cl+CF3COOH"	148.962264
"1379859"	501.031824	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H-2H2O"	-35.012676
"1395291"	519.0418	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H-H2O"	-17.0027
"292790"	1073.096276	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+H"	1.007276
"678283"	1609.140776	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+H"	1.007276
"1361561"	537.051776	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H"	1.007276
"139555"	537.051776	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+2H"	2.014552
"578388"	805.074026	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+2H"	2.014552
"1048281"	269.029526	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2H"	2.014552
"211808"	358.370276	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+3H"	3.021828
"653560"	537.051776	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+3H"	3.021828
"1173870"	179.688776	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+3H"	3.021828
"434956"	1090.122823	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+NH4"	18.033823
"793763"	1626.167323	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+NH4"	18.033823
"1691186"	554.078323	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+NH4"	18.033823
"336186"	545.5650495	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+H+NH4"	19.041099
"731885"	813.5872995	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+H+NH4"	19.041099
"1480602"	277.5427995	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H+NH4"	19.041099
"396730"	1095.078218	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+Na"	22.989218
"767566"	1631.122718	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+Na"	22.989218
"1606192"	559.033718	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Na"	22.989218
"317322"	548.042747	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+H+Na"	23.996494
"709380"	816.064997	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+H+Na"	23.996494
"1463563"	280.020497	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H+Na"	23.996494
"1056078"	187.01609	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2H+Na"	25.00377
"1259212"	569.077986	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+CH3OH+H"	33.033486
"378277"	1111.052158	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+K"	38.963158
"747542"	1647.096658	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+K"	38.963158
"1549597"	575.007658	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+K"	38.963158
"313343"	556.029717	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+H+K"	39.970434
"705033"	824.051967	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+H+K"	39.970434
"1460922"	288.007467	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H+K"	39.970434
"251232"	1114.122826	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+H"	42.033826
"1224665"	578.078326	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+H"	42.033826
"1200404"	289.542801	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+2H"	43.041102
"198380"	1117.06016	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na-H"	44.97116
"637212"	1653.10466	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na-H"	44.97116
"1140718"	581.01566	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2Na-H"	44.97116
"185829"	559.033718	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+2Na"	45.978436
"625390"	827.055968	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+2Na"	45.978436
"1125979"	291.011468	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2Na"	45.978436
"1405129"	194.343404	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H+2Na"	46.985712
"1440525"	583.057246	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H+HCOOH"	47.012746
"226943"	564.06674	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+3H2O+2H"	56.04448
"1519380"	597.10929	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+H"	61.06479
"417976"	567.020688	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+Na+K"	61.952376
"783354"	835.042938	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+Na+K"	61.952376
"1676405"	298.998438	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Na+K"	61.952376
"266451"	1136.104768	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+ACN+Na"	64.015768
"1236364"	600.060268	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+ACN+Na"	64.015768
"1726707"	600.083793	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+HCOOH"	64.039293
"1191698"	201.670718	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+3Na"	68.967654
"1663775"	605.039188	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Na+HCOOH"	68.994688
"171730"	1149.00804	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+2K-H"	76.91904
"611290"	1685.05254	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+2K-H"	76.91904
"1094711"	612.96354	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2K-H"	76.91904
"154807"	575.007658	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"2M+2K"	77.926316
"594368"	843.029908	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"3M+2K"	77.926316
"1082159"	306.985408	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2K"	77.926316
"1111358"	614.978092	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2K+H"	78.933592
"1341180"	615.065707	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+DMSO+H"	79.021207
"1008619"	619.104876	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+H"	83.060376
"1527838"	620.098508	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+IsoProp+Na+H"	84.054008
"997566"	310.056076	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+2ACN+2H"	84.067652
"1592069"	621.013128	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+K+HCOOH"	84.968628
"1421008"	651.044638	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+H+CF3COOH"	115.000138
"1151297"	330.569351	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+3ACN+2H"	125.094202
"1706318"	668.071185	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+NH4+CF3COOH"	132.026685
"1645248"	673.02658	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+Na+CF3COOH"	136.98208
"1573245"	689.00052	"C18094"	"UDP-L-arabinofuranose;UDP-beta-L-arabinofuranose"	"C14H22N2O16P2"	"536.0445"	"M+K+CF3COOH"	152.95602
"803609"	782.3963	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M"	0
"988443"	763.37791	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-H2O-H"	-19.01839
"70857"	520.590257333333	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M-3H"	-3.021828
"510417"	781.389024	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M-3H"	-3.021828
"886035"	259.791490666667	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-3H"	-3.021828
"5705"	781.389024	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M-2H"	-2.014552
"450733"	1172.587174	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M-2H"	-2.014552
"819785"	390.190874	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-2H"	-2.014552
"84152"	1563.785324	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M-H"	-1.007276
"533192"	2346.181624	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M-H"	-1.007276
"905889"	781.389024	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-H"	-1.007276
"56983"	1580.811871	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M-2H+NH4"	16.019271
"500798"	2363.208171	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M-2H+NH4"	16.019271
"877995"	798.415571	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-2H+NH4"	16.019271
"45893"	1585.767266	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M-2H+Na"	20.974666
"485827"	2368.163566	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M-2H+Na"	20.974666
"859611"	803.370966	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-2H+Na"	20.974666
"1632921"	803.370966	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Na-2H"	20.974666
"108474"	799.377363	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M-H+Cl"	33.962126
"547430"	1190.575513	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M-H+Cl"	33.962126
"940943"	408.179213	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-H+Cl"	33.962126
"281449"	1599.762002	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+Cl"	34.969402
"673255"	2382.158302	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+Cl"	34.969402
"1285780"	817.365702	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Cl"	34.969402
"25784"	1601.741206	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M-2H+K"	36.948606
"459879"	2384.137506	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M-2H+K"	36.948606
"840960"	819.344906	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-2H+K"	36.948606
"1567730"	819.344906	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+K-2H"	36.948606
"955613"	827.394494	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-H+HCOOH"	44.998194
"370183"	1609.790801	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+HCOOH-H"	44.998201
"355522"	1623.806451	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+Hac-H"	59.013851
"1499984"	841.410151	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Hac-H"	59.013851
"969714"	849.376451	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-H+NaCOOH"	66.980151
"123362"	817.365702	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+2Cl"	69.938804
"562556"	1208.563852	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+2Cl"	69.938804
"1031357"	426.167552	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2Cl"	69.938804
"1254579"	861.315185	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Br"	78.918885
"1315568"	863.371172	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Cl+HCOOH"	80.974872
"1330877"	885.353129	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Cl+NaCOOH"	102.956829
"924488"	895.381886	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M-H+CF3COOH"	112.985586
"1298643"	931.358564	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Cl+CF3COOH"	148.962264
"1381183"	747.383624	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H-2H2O"	-35.012676
"1393214"	765.3936	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H-H2O"	-17.0027
"296180"	1565.799876	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+H"	1.007276
"679123"	2348.196176	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+H"	1.007276
"1361671"	783.403576	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H"	1.007276
"140029"	783.403576	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+2H"	2.014552
"579591"	1174.601726	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+2H"	2.014552
"1047297"	392.205426	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2H"	2.014552
"211918"	522.604809333333	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+3H"	3.021828
"652573"	783.403576	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+3H"	3.021828
"1168875"	261.806042666667	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+3H"	3.021828
"433970"	1582.826423	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+NH4"	18.033823
"794967"	2365.222723	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+NH4"	18.033823
"1690203"	800.430123	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+NH4"	18.033823
"339575"	791.9168495	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+H+NH4"	19.041099
"726161"	1183.1149995	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+H+NH4"	19.041099
"1481076"	400.7186995	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H+NH4"	19.041099
"396476"	1587.781818	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+Na"	22.989218
"764396"	2370.178118	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+Na"	22.989218
"1605205"	805.385518	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Na"	22.989218
"315607"	794.394547	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+H+Na"	23.996494
"709850"	1185.592697	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+H+Na"	23.996494
"1463670"	403.196397	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H+Na"	23.996494
"1055457"	269.133356666667	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2H+Na"	25.00377
"1259688"	815.429786	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+CH3OH+H"	33.033486
"378504"	1603.755758	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+K"	38.963158
"747653"	2386.152058	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+K"	38.963158
"1546427"	821.359458	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+K"	38.963158
"312721"	802.381517	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+H+K"	39.970434
"704415"	1193.579667	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+H+K"	39.970434
"1460060"	411.183367	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H+K"	39.970434
"251062"	1606.826426	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+ACN+H"	42.033826
"1224895"	824.430126	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+ACN+H"	42.033826
"1198691"	412.718701	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+ACN+2H"	43.041102
"197761"	1609.76376	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+2Na-H"	44.97116
"637322"	2392.16006	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+2Na-H"	44.97116
"1140828"	827.36746	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2Na-H"	44.97116
"186303"	805.385518	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+2Na"	45.978436
"622584"	1196.583668	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+2Na"	45.978436
"1126089"	414.187368	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2Na"	45.978436
"1405239"	276.460670666667	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H+2Na"	46.985712
"1438448"	829.409046	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H+HCOOH"	47.012746
"228146"	810.41854	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+3H2O+2H"	56.04448
"1519490"	843.46109	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+IsoProp+H"	61.06479
"418451"	813.372488	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+Na+K"	61.952376
"785046"	1204.570638	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+Na+K"	61.952376
"1677974"	422.174338	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Na+K"	61.952376
"266076"	1628.808368	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+ACN+Na"	64.015768
"1238659"	846.412068	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+ACN+Na"	64.015768
"1724265"	846.435593	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+NH4+HCOOH"	64.039293
"1189621"	283.787984666667	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+3Na"	68.967654
"1662791"	851.390988	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Na+HCOOH"	68.994688
"171964"	1641.71164	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+2K-H"	76.91904
"611887"	2424.10794	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+2K-H"	76.91904
"1097371"	859.31534	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2K-H"	76.91904
"154552"	821.359458	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"2M+2K"	77.926316
"594965"	1212.557608	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"3M+2K"	77.926316
"1082273"	430.161308	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2K"	77.926316
"1109645"	861.329892	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2K+H"	78.933592
"1341290"	861.417507	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+DMSO+H"	79.021207
"1009822"	865.456676	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2ACN+H"	83.060376
"1529041"	866.450308	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+IsoProp+Na+H"	84.054008
"994396"	433.231976	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+2ACN+2H"	84.067652
"1592179"	867.364928	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+K+HCOOH"	84.968628
"1421118"	897.396438	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+H+CF3COOH"	115.000138
"1153594"	453.745251	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+3ACN+2H"	125.094202
"1706428"	914.422985	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+NH4+CF3COOH"	132.026685
"1645358"	919.37838	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+Na+CF3COOH"	136.98208
"1574448"	935.35232	"C18095"	"Deltorphin B;Deltorphin II"	"C38H54N8O10"	"782.3963"	"M+K+CF3COOH"	152.95602
"810279"	260.0297	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M"	0
"987096"	241.01131	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H2O-H"	-19.01839
"73153"	172.345857333333	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-3H"	-3.021828
"516967"	259.022424	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-3H"	-3.021828
"888332"	85.6692906666667	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-3H"	-3.021828
"9095"	259.022424	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H"	-2.014552
"451937"	389.037274	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H"	-2.014552
"825362"	129.007574	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H"	-2.014552
"82075"	519.052124	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H"	-1.007276
"527104"	779.081824	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H"	-1.007276
"904906"	259.022424	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H"	-1.007276
"54907"	536.078671	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+NH4"	16.019271
"498841"	796.108371	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+NH4"	16.019271
"877374"	276.048971	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+NH4"	16.019271
"43450"	541.034066	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+Na"	20.974666
"486752"	801.063766	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+Na"	20.974666
"860814"	281.004366	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+Na"	20.974666
"1633683"	281.004366	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na-2H"	20.974666
"109198"	277.010763	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-H+Cl"	33.962126
"549529"	407.025613	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-H+Cl"	33.962126
"941784"	146.995913	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+Cl"	33.962126
"282531"	555.028802	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Cl"	34.969402
"673487"	815.058502	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Cl"	34.969402
"1287348"	294.999102	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl"	34.969402
"31326"	557.008006	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M-2H+K"	36.948606
"459989"	817.037706	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M-2H+K"	36.948606
"842164"	296.978306	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-2H+K"	36.948606
"1569299"	296.978306	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K-2H"	36.948606
"954994"	305.027894	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+HCOOH"	44.998194
"375397"	565.057601	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+HCOOH-H"	44.998201
"358914"	579.073251	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Hac-H"	59.013851
"1500094"	319.043551	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Hac-H"	59.013851
"969824"	327.009851	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+NaCOOH"	66.980151
"124929"	294.999102	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Cl"	69.938804
"564125"	425.013952	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Cl"	69.938804
"1030374"	164.984252	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Cl"	69.938804
"1254326"	338.948585	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Br"	78.918885
"1318595"	341.004572	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+HCOOH"	80.974872
"1332809"	362.986529	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+NaCOOH"	102.956829
"922775"	373.015286	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M-H+CF3COOH"	112.985586
"1299484"	408.991964	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Cl+CF3COOH"	148.962264
"1379104"	225.017024	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-2H2O"	-35.012676
"1393321"	243.027	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H-H2O"	-17.0027
"296291"	521.066676	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H"	1.007276
"682150"	781.096376	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H"	1.007276
"1362875"	261.036976	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H"	1.007276
"139412"	261.036976	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2H"	2.014552
"575327"	391.051826	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2H"	2.014552
"1045220"	131.022126	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H"	2.014552
"213123"	174.360409333333	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H"	3.021828
"653776"	261.036976	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+3H"	3.021828
"1168985"	87.6838426666667	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3H"	3.021828
"436267"	538.093223	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+NH4"	18.033823
"795076"	798.122923	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+NH4"	18.033823
"1689219"	278.063523	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4"	18.033823
"337863"	269.5502495	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+NH4"	19.041099
"726273"	399.5650995	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+NH4"	19.041099
"1480457"	139.5353995	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+NH4"	19.041099
"396950"	543.048618	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na"	22.989218
"759040"	803.078318	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na"	22.989218
"1606047"	283.018918	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na"	22.989218
"316810"	272.027947	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+Na"	23.996494
"709961"	402.042797	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+Na"	23.996494
"1463780"	142.013097	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+Na"	23.996494
"1054839"	95.0111566666667	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2H+Na"	25.00377
"1259071"	293.063186	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+CH3OH+H"	33.033486
"378371"	559.022558	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+K"	38.963158
"739611"	819.052258	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+K"	38.963158
"1549814"	298.992858	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K"	38.963158
"313722"	280.014917	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+H+K"	39.970434
"704887"	410.029767	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+H+K"	39.970434
"1460532"	150.000067	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+K"	39.970434
"251047"	562.093226	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+H"	42.033826
"1222572"	302.063526	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+H"	42.033826
"1202812"	151.535401	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+2H"	43.041102
"190578"	565.03056	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na-H"	44.97116
"636338"	825.06026	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na-H"	44.97116
"1136197"	305.00086	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na-H"	44.97116
"183132"	283.018918	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2Na"	45.978436
"620507"	413.033768	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2Na"	45.978436
"1124011"	153.004068	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2Na"	45.978436
"1406443"	102.338470666667	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+2Na"	46.985712
"1433455"	307.042446	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+HCOOH"	47.012746
"231536"	288.05194	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+3H2O+2H"	56.04448
"1519600"	321.09449	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+H"	61.06479
"420748"	291.005888	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+Na+K"	61.952376
"784675"	421.020738	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+Na+K"	61.952376
"1679546"	160.991038	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+K"	61.952376
"265581"	584.075168	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+ACN+Na"	64.015768
"1239139"	324.045468	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+ACN+Na"	64.015768
"1727784"	324.068993	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+HCOOH"	64.039293
"1193985"	109.665784666667	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3Na"	68.967654
"1664240"	329.024388	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+HCOOH"	68.994688
"172561"	596.97844	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K-H"	76.91904
"611636"	857.00814	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K-H"	76.91904
"1098697"	336.94874	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K-H"	76.91904
"156732"	298.992858	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"2M+2K"	77.926316
"594712"	429.007708	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"3M+2K"	77.926316
"1082747"	168.978008	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K"	77.926316
"1110848"	338.963292	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2K+H"	78.933592
"1341400"	339.050907	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+DMSO+H"	79.021207
"1009932"	343.090076	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+H"	83.060376
"1528058"	344.083708	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+IsoProp+Na+H"	84.054008
"997786"	172.048676	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+2ACN+2H"	84.067652
"1592289"	344.998328	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+HCOOH"	84.968628
"1419041"	375.029838	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+H+CF3COOH"	115.000138
"1152609"	192.561951	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+3ACN+2H"	125.094202
"1708725"	392.056385	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+NH4+CF3COOH"	132.026685
"1648384"	397.01178	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+Na+CF3COOH"	136.98208
"1574558"	412.98572	"C18096"	"D-Allulose 6-phosphate"	"C6H13O9P"	"260.0297"	"M+K+CF3COOH"	152.95602
"803829"	768.3806	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M"	0
"983923"	749.36221	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-H2O-H"	-19.01839
"69983"	511.246457333333	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M-3H"	-3.021828
"510637"	767.373324	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M-3H"	-3.021828
"891722"	255.119590666667	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-3H"	-3.021828
"5925"	767.373324	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M-2H"	-2.014552
"447672"	1151.563624	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M-2H"	-2.014552
"823285"	383.183024	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-2H"	-2.014552
"81819"	1535.753924	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M-H"	-1.007276
"527214"	2304.134524	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M-H"	-1.007276
"901736"	767.373324	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-H"	-1.007276
"55017"	1552.780471	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M-2H+NH4"	16.019271
"497858"	2321.161071	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M-2H+NH4"	16.019271
"877484"	784.399871	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-2H+NH4"	16.019271
"40281"	1557.735866	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M-2H+Na"	20.974666
"487031"	2326.116466	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M-2H+Na"	20.974666
"857644"	789.355266	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-2H+Na"	20.974666
"1632776"	789.355266	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Na-2H"	20.974666
"107724"	785.361663	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M-H+Cl"	33.962126
"549720"	1169.551963	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M-H+Cl"	33.962126
"942136"	401.171363	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-H+Cl"	33.962126
"282437"	1571.730602	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+Cl"	34.969402
"672137"	2340.111202	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+Cl"	34.969402
"1287704"	803.350002	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Cl"	34.969402
"30987"	1573.709806	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M-2H+K"	36.948606
"460099"	2342.090406	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M-2H+K"	36.948606
"838994"	805.329206	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-2H+K"	36.948606
"1566856"	805.329206	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+K-2H"	36.948606
"954738"	813.378794	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-H+HCOOH"	44.998194
"373684"	1581.759401	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+HCOOH-H"	44.998201
"357931"	1595.775051	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+Hac-H"	59.013851
"1499111"	827.394451	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Hac-H"	59.013851
"969934"	835.360751	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-H+NaCOOH"	66.980151
"125161"	803.350002	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+2Cl"	69.938804
"562776"	1187.540302	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+2Cl"	69.938804
"1031577"	419.159702	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2Cl"	69.938804
"1256869"	847.299485	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Br"	78.918885
"1318705"	849.355472	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Cl+HCOOH"	80.974872
"1331096"	871.337429	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Cl+NaCOOH"	102.956829
"923250"	881.366186	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M-H+CF3COOH"	112.985586
"1299957"	917.342864	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Cl+CF3COOH"	148.962264
"1378119"	733.367924	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H-2H2O"	-35.012676
"1396711"	751.3779	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H-H2O"	-17.0027
"296401"	1537.768476	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+H"	1.007276
"686633"	2306.149076	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+H"	1.007276
"1361889"	769.387876	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H"	1.007276
"139886"	769.387876	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+2H"	2.014552
"578717"	1153.578176	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+2H"	2.014552
"1046423"	385.197576	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2H"	2.014552
"214326"	513.261009333333	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+3H"	3.021828
"651699"	769.387876	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+3H"	3.021828
"1169824"	257.134142666667	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+3H"	3.021828
"434191"	1554.795023	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+NH4"	18.033823
"792270"	2323.175623	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+NH4"	18.033823
"1691516"	786.414423	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+NH4"	18.033823
"334691"	777.9011495	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+H+NH4"	19.041099
"726380"	1162.0914495	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+H+NH4"	19.041099
"1481296"	393.7108495	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H+NH4"	19.041099
"400341"	1559.750418	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+Na"	22.989218
"766802"	2328.131018	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+Na"	22.989218
"1606521"	791.369818	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Na"	22.989218
"317288"	780.378847	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+H+Na"	23.996494
"708978"	1164.569147	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+H+Na"	23.996494
"1464984"	396.188547	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H+Na"	23.996494
"1055316"	264.461456666667	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2H+Na"	25.00377
"1259545"	801.414086	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+CH3OH+H"	33.033486
"378848"	1575.724358	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+K"	38.963158
"739482"	2344.104958	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+K"	38.963158
"1549924"	807.343758	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+K"	38.963158
"314214"	788.365817	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+H+K"	39.970434
"700622"	1172.556117	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+H+K"	39.970434
"1461209"	404.175517	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H+K"	39.970434
"250342"	1578.795026	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+ACN+H"	42.033826
"1223897"	810.414426	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+ACN+H"	42.033826
"1205107"	405.710851	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+ACN+2H"	43.041102
"190688"	1581.73236	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+2Na-H"	44.97116
"636448"	2350.11296	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+2Na-H"	44.97116
"1135579"	813.35176	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2Na-H"	44.97116
"183242"	791.369818	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+2Na"	45.978436
"618430"	1175.560118	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+2Na"	45.978436
"1126308"	407.179518	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2Na"	45.978436
"1403636"	271.788770666667	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H+2Na"	46.985712
"1433565"	815.393346	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H+HCOOH"	47.012746
"226178"	796.40284	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+3H2O+2H"	56.04448
"1519710"	829.44539	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+IsoProp+H"	61.06479
"422680"	799.356788	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+Na+K"	61.952376
"784419"	1183.547088	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+Na+K"	61.952376
"1680385"	415.166488	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Na+K"	61.952376
"263990"	1600.776968	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+ACN+Na"	64.015768
"1238154"	832.396368	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+ACN+Na"	64.015768
"1726679"	832.419893	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+NH4+HCOOH"	64.039293
"1191667"	279.116084666667	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+3Na"	68.967654
"1664108"	837.375288	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Na+HCOOH"	68.994688
"171331"	1613.68024	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+2K-H"	76.91904
"611259"	2382.06084	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+2K-H"	76.91904
"1098685"	845.29964	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2K-H"	76.91904
"155500"	807.343758	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"2M+2K"	77.926316
"596156"	1191.534058	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"3M+2K"	77.926316
"1083542"	423.153458	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2K"	77.926316
"1108406"	847.314192	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2K+H"	78.933592
"1344790"	847.401807	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+DMSO+H"	79.021207
"1010042"	851.440976	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2ACN+H"	83.060376
"1529261"	852.434608	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+IsoProp+Na+H"	84.054008
"997896"	426.224126	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+2ACN+2H"	84.067652
"1595679"	853.349228	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+K+HCOOH"	84.968628
"1418058"	883.380738	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+H+CF3COOH"	115.000138
"1151626"	446.737401	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+3ACN+2H"	125.094202
"1709928"	900.407285	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+NH4+CF3COOH"	132.026685
"1648494"	905.36268	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+Na+CF3COOH"	136.98208
"1573939"	921.33662	"C18097"	"Deltorphin C;Deltorphin I"	"C37H52N8O10"	"768.3806"	"M+K+CF3COOH"	152.95602
"803939"	628.2897	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M"	0
"982940"	609.27131	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-H2O-H"	-19.01839
"67906"	417.852524	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M-3H"	-3.021828
"504186"	627.282424	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M-3H"	-3.021828
"891832"	208.422624	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-3H"	-3.021828
"8222"	627.282424	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M-2H"	-2.014552
"444502"	941.427274	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M-2H"	-2.014552
"820115"	313.137574	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-2H"	-2.014552
"81565"	1255.572124	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M-H"	-1.007276
"528417"	1883.861824	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M-H"	-1.007276
"901845"	627.282424	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-H"	-1.007276
"57313"	1272.598671	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M-2H+NH4"	16.019271
"496874"	1900.888371	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M-2H+NH4"	16.019271
"877109"	644.308971	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-2H+NH4"	16.019271
"41484"	1277.554066	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M-2H+Na"	20.974666
"486032"	1905.843766	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M-2H+Na"	20.974666
"857754"	649.264366	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-2H+Na"	20.974666
"1632763"	649.264366	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Na-2H"	20.974666
"109051"	645.270763	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M-H+Cl"	33.962126
"549706"	959.415613	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M-H+Cl"	33.962126
"942680"	331.125913	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-H+Cl"	33.962126
"282710"	1291.548802	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+Cl"	34.969402
"670060"	1919.838502	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+Cl"	34.969402
"1286475"	663.259102	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Cl"	34.969402
"27938"	1293.528006	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M-2H+K"	36.948606
"459844"	1921.817706	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M-2H+K"	36.948606
"836917"	665.238306	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-2H+K"	36.948606
"1563686"	665.238306	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+K-2H"	36.948606
"953391"	673.287894	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-H+HCOOH"	44.998194
"373430"	1301.577601	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+HCOOH-H"	44.998201
"358041"	1315.593251	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+Hac-H"	59.013851
"1499221"	687.303551	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Hac-H"	59.013851
"968951"	695.269851	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-H+NaCOOH"	66.980151
"122233"	663.259102	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+2Cl"	69.938804
"559606"	977.403952	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+2Cl"	69.938804
"1025127"	349.114252	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2Cl"	69.938804
"1256003"	707.208585	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Br"	78.918885
"1318086"	709.264572	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Cl+HCOOH"	80.974872
"1327926"	731.246529	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Cl+NaCOOH"	102.956829
"921172"	741.275286	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M-H+CF3COOH"	112.985586
"1297881"	777.251964	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Cl+CF3COOH"	148.962264
"1378229"	593.277024	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H-2H2O"	-35.012676
"1396093"	611.287	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H-H2O"	-17.0027
"296147"	1257.586676	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+H"	1.007276
"686743"	1885.876376	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+H"	1.007276
"1361999"	629.296976	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H"	1.007276
"138171"	629.296976	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+2H"	2.014552
"580528"	943.441826	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+2H"	2.014552
"1046533"	315.152126	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2H"	2.014552
"214436"	419.867076	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+3H"	3.021828
"651080"	629.296976	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+3H"	3.021828
"1169204"	210.437176	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+3H"	3.021828
"432112"	1274.613223	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+NH4"	18.033823
"792378"	1902.902923	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+NH4"	18.033823
"1686158"	646.323523	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+NH4"	18.033823
"334801"	637.8102495	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+H+NH4"	19.041099
"726855"	951.9550995	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+H+NH4"	19.041099
"1481404"	323.6653995	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H+NH4"	19.041099
"402636"	1279.568618	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+Na"	22.989218
"766911"	1907.858318	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+Na"	22.989218
"1606268"	651.278918	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Na"	22.989218
"316667"	640.287947	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+H+Na"	23.996494
"708723"	954.432797	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+H+Na"	23.996494
"1464366"	326.143097	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H+Na"	23.996494
"1055788"	217.76449	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2H+Na"	25.00377
"1260747"	661.323186	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+CH3OH+H"	33.033486
"378594"	1295.542558	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+K"	38.963158
"740320"	1923.832258	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+K"	38.963158
"1543474"	667.252858	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+K"	38.963158
"310860"	648.274917	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+H+K"	39.970434
"702918"	962.419767	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+H+K"	39.970434
"1460386"	334.130067	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H+K"	39.970434
"248629"	1298.613226	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+ACN+H"	42.033826
"1224008"	670.323526	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+ACN+H"	42.033826
"1203028"	335.665401	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+ACN+2H"	43.041102
"195901"	1301.55056	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+2Na-H"	44.97116
"632182"	1929.84026	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+2Na-H"	44.97116
"1140063"	673.26086	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2Na-H"	44.97116
"186509"	651.278918	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+2Na"	45.978436
"627286"	965.423768	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+2Na"	45.978436
"1127510"	337.134068	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2Na"	45.978436
"1404839"	225.091804	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H+2Na"	46.985712
"1435861"	675.302446	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H+HCOOH"	47.012746
"227745"	656.31194	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+3H2O+2H"	56.04448
"1519820"	689.35449	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+IsoProp+H"	61.06479
"420602"	659.265888	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+Na+K"	61.952376
"785014"	973.410738	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+Na+K"	61.952376
"1680495"	345.121038	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Na+K"	61.952376
"264098"	1320.595168	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+ACN+Na"	64.015768
"1239359"	692.305468	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+ACN+Na"	64.015768
"1728004"	692.328993	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+NH4+HCOOH"	64.039293
"1193971"	232.419118	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+3Na"	68.967654
"1663856"	697.284388	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Na+HCOOH"	68.994688
"172536"	1333.49844	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+2K-H"	76.91904
"612591"	1961.78814	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+2K-H"	76.91904
"1098919"	705.20874	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2K-H"	76.91904
"156339"	667.252858	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"2M+2K"	77.926316
"596754"	981.397708	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"3M+2K"	77.926316
"1083451"	353.108008	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2K"	77.926316
"1111796"	707.223292	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2K+H"	78.933592
"1344900"	707.310907	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+DMSO+H"	79.021207
"1013432"	711.350076	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2ACN+H"	83.060376
"1532651"	712.343708	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+IsoProp+Na+H"	84.054008
"998006"	356.178676	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+2ACN+2H"	84.067652
"1595789"	713.258328	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+K+HCOOH"	84.968628
"1420354"	743.289838	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+H+CF3COOH"	115.000138
"1151736"	376.691951	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+3ACN+2H"	125.094202
"1708945"	760.316385	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+NH4+CF3COOH"	132.026685
"1648604"	765.27178	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+Na+CF3COOH"	136.98208
"1573685"	781.24572	"C18098"	"Primary fluorescent chlorophyll catabolite"	"C35H40N4O7"	"628.2897"	"M+K+CF3COOH"	152.95602
"806235"	353.8576	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M"	0
"983050"	334.83921	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-H2O-H"	-19.01839
"66923"	234.897790666667	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M-3H"	-3.021828
"507576"	352.850324	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M-3H"	-3.021828
"891942"	116.945257333333	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-3H"	-3.021828
"8332"	352.850324	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M-2H"	-2.014552
"445705"	529.779124	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M-2H"	-2.014552
"820589"	175.921524	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-2H"	-2.014552
"80946"	706.707924	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M-H"	-1.007276
"526340"	1060.565524	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M-H"	-1.007276
"898674"	352.850324	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-H"	-1.007276
"57423"	723.734471	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M-2H+NH4"	16.019271
"495891"	1077.592071	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M-2H+NH4"	16.019271
"878068"	369.876871	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-2H+NH4"	16.019271
"42687"	728.689866	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M-2H+Na"	20.974666
"485903"	1082.547466	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M-2H+Na"	20.974666
"858957"	374.832266	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-2H+Na"	20.974666
"1633605"	374.832266	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Na-2H"	20.974666
"109609"	370.838663	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M-H+Cl"	33.962126
"548844"	547.767463	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M-H+Cl"	33.962126
"941873"	193.909863	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-H+Cl"	33.962126
"281884"	742.684602	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+Cl"	34.969402
"672358"	1096.542202	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+Cl"	34.969402
"1287317"	388.827002	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Cl"	34.969402
"30967"	744.663806	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M-2H+K"	36.948606
"465787"	1098.521406	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M-2H+K"	36.948606
"840307"	390.806206	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-2H+K"	36.948606
"1567077"	390.806206	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+K-2H"	36.948606
"953864"	398.855794	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-H+HCOOH"	44.998194
"374269"	752.713401	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+HCOOH-H"	44.998201
"357057"	766.729051	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+Hac-H"	59.013851
"1502247"	412.871451	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Hac-H"	59.013851
"971248"	420.837751	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-H+NaCOOH"	66.980151
"120157"	388.827002	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+2Cl"	69.938804
"559716"	565.755802	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+2Cl"	69.938804
"1028517"	211.898202	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2Cl"	69.938804
"1256361"	432.776485	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Br"	78.918885
"1318196"	434.832472	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Cl+HCOOH"	80.974872
"1330223"	456.814429	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Cl+NaCOOH"	102.956829
"921282"	466.843186	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M-H+CF3COOH"	112.985586
"1292521"	502.819864	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Cl+CF3COOH"	148.962264
"1372871"	318.844924	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H-2H2O"	-35.012676
"1393652"	336.8549	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H-H2O"	-17.0027
"297715"	708.722476	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+H"	1.007276
"689769"	1062.580076	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+H"	1.007276
"1364296"	354.864876	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H"	1.007276
"139375"	354.864876	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+2H"	2.014552
"579910"	531.793676	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+2H"	2.014552
"1046643"	177.936076	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2H"	2.014552
"218678"	236.912342666667	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+3H"	3.021828
"654106"	354.864876	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+3H"	3.021828
"1172595"	118.959809333333	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+3H"	3.021828
"432222"	725.749023	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+NH4"	18.033823
"795404"	1079.606623	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+NH4"	18.033823
"1692829"	371.891423	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+NH4"	18.033823
"340016"	363.3781495	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+H+NH4"	19.041099
"734621"	540.3069495	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+H+NH4"	19.041099
"1490628"	186.4493495	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H+NH4"	19.041099
"407121"	730.704418	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+Na"	22.989218
"769415"	1084.562018	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+Na"	22.989218
"1606378"	376.846818	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Na"	22.989218
"319695"	365.855847	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+H+Na"	23.996494
"718676"	542.784647	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+H+Na"	23.996494
"1470309"	188.927047	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H+Na"	23.996494
"1058086"	126.287123333333	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2H+Na"	25.00377
"1261224"	386.891086	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+CH3OH+H"	33.033486
"380528"	746.678358	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+K"	38.963158
"739701"	1100.535958	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+K"	38.963158
"1546864"	392.820758	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+K"	38.963158
"310969"	373.842817	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+H+K"	39.970434
"703028"	550.771617	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+H+K"	39.970434
"1459893"	196.914017	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H+K"	39.970434
"249104"	749.749026	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+ACN+H"	42.033826
"1221443"	395.891426	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+ACN+H"	42.033826
"1208485"	198.449351	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+ACN+2H"	43.041102
"198198"	752.68636	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+2Na-H"	44.97116
"641039"	1106.54396	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+2Na-H"	44.97116
"1143452"	398.82876	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2Na-H"	44.97116
"187108"	376.846818	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+2Na"	45.978436
"626668"	553.775618	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+2Na"	45.978436
"1127619"	199.918018	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2Na"	45.978436
"1404949"	133.614437333333	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H+2Na"	46.985712
"1434878"	400.870346	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H+HCOOH"	47.012746
"227491"	381.87984	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+3H2O+2H"	56.04448
"1519930"	414.92239	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+IsoProp+H"	61.06479
"421805"	384.833788	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+Na+K"	61.952376
"784757"	561.762588	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+Na+K"	61.952376
"1679874"	207.904988	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Na+K"	61.952376
"265548"	771.730968	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+ACN+Na"	64.015768
"1238739"	417.873368	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+ACN+Na"	64.015768
"1726530"	417.896893	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+NH4+HCOOH"	64.039293
"1192612"	140.941751333333	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+3Na"	68.967654
"1665299"	422.852288	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Na+HCOOH"	68.994688
"171796"	784.63424	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+2K-H"	76.91904
"612332"	1138.49184	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+2K-H"	76.91904
"1099599"	430.77664	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2K-H"	76.91904
"154989"	392.820758	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"2M+2K"	77.926316
"595888"	569.749558	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"3M+2K"	77.926316
"1082342"	215.891958	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2K"	77.926316
"1108626"	432.791192	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2K+H"	78.933592
"1345011"	432.878807	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+DMSO+H"	79.021207
"1012449"	436.917976	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2ACN+H"	83.060376
"1534948"	437.911608	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+IsoProp+Na+H"	84.054008
"998116"	218.962626	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+2ACN+2H"	84.067652
"1595899"	438.826228	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+K+HCOOH"	84.968628
"1420464"	468.857738	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+H+CF3COOH"	115.000138
"1154033"	239.475901	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+3ACN+2H"	125.094202
"1709055"	485.884285	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+NH4+CF3COOH"	132.026685
"1645798"	490.83968	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+Na+CF3COOH"	136.98208
"1573795"	506.81362	"C18099"	"12378-Pentachlorodibenzodioxin;12378-Pentachlorodibenzo-p-dioxin;12378-PeCDD;PCDD 54"	"C12H3Cl5O2"	"353.8576"	"M+K+CF3COOH"	152.95602
"804159"	387.8186	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M"	0
"983160"	368.80021	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-H2O-H"	-19.01839
"72500"	257.538457333333	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M-3H"	-3.021828
"504406"	386.811324	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M-3H"	-3.021828
"893147"	128.265590666667	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-3H"	-3.021828
"8442"	386.811324	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M-2H"	-2.014552
"445815"	580.720624	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M-2H"	-2.014552
"823617"	192.902024	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-2H"	-2.014552
"85796"	774.629924	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M-H"	-1.007276
"526450"	1162.448524	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M-H"	-1.007276
"898784"	386.811324	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-H"	-1.007276
"58628"	791.656471	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M-2H+NH4"	16.019271
"497094"	1179.475071	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M-2H+NH4"	16.019271
"866511"	403.837871	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-2H+NH4"	16.019271
"41704"	796.611866	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M-2H+Na"	20.974666
"486666"	1184.430466	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M-2H+Na"	20.974666
"863730"	408.793266	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-2H+Na"	20.974666
"1633749"	408.793266	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Na-2H"	20.974666
"107937"	404.799663	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M-H+Cl"	33.962126
"547616"	598.708963	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M-H+Cl"	33.962126
"941253"	210.890363	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-H+Cl"	33.962126
"281747"	810.606602	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+Cl"	34.969402
"674660"	1198.425202	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+Cl"	34.969402
"1284872"	422.788002	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Cl"	34.969402
"23053"	812.585806	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M-2H+K"	36.948606
"468083"	1200.404406	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M-2H+K"	36.948606
"842604"	424.767206	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-2H+K"	36.948606
"1566095"	424.767206	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+K-2H"	36.948606
"953976"	432.816794	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-H+HCOOH"	44.998194
"372191"	820.635401	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+HCOOH-H"	44.998201
"356074"	834.651051	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+Hac-H"	59.013851
"1501630"	446.832451	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Hac-H"	59.013851
"961517"	454.798751	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-H+NaCOOH"	66.980151
"114801"	422.788002	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+2Cl"	69.938804
"554360"	616.697302	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+2Cl"	69.938804
"1025711"	228.878702	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2Cl"	69.938804
"1253673"	466.737485	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Br"	78.918885
"1318306"	468.793472	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Cl+HCOOH"	80.974872
"1331427"	490.775429	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Cl+NaCOOH"	102.956829
"920298"	500.804186	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M-H+CF3COOH"	112.985586
"1294820"	536.780864	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Cl+CF3COOH"	148.962264
"1368608"	352.805924	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H-2H2O"	-35.012676
"1388291"	370.8159	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H-H2O"	-17.0027
"297458"	776.644476	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+H"	1.007276
"689151"	1164.463076	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+H"	1.007276
"1362220"	388.825876	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H"	1.007276
"134017"	388.825876	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+2H"	2.014552
"576859"	582.735176	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+2H"	2.014552
"1045662"	194.916576	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2H"	2.014552
"214657"	259.553009333333	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+3H"	3.021828
"646197"	388.825876	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+3H"	3.021828
"1172344"	130.280142666667	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+3H"	3.021828
"438533"	793.671023	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+NH4"	18.033823
"800744"	1181.489623	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+NH4"	18.033823
"1691849"	405.852423	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+NH4"	18.033823
"337941"	397.3391495	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+H+NH4"	19.041099
"733642"	591.2484495	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+H+NH4"	19.041099
"1490377"	203.4298495	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H+NH4"	19.041099
"406506"	798.626418	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+Na"	22.989218
"768958"	1186.445018	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+Na"	22.989218
"1610860"	410.807818	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Na"	22.989218
"329918"	399.816847	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+H+Na"	23.996494
"721459"	593.726147	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+H+Na"	23.996494
"1470419"	205.907547	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H+Na"	23.996494
"1061476"	137.607456666667	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2H+Na"	25.00377
"1262062"	420.852086	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+CH3OH+H"	33.033486
"379910"	814.600358	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+K"	38.963158
"739811"	1202.418958	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+K"	38.963158
"1545881"	426.781758	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+K"	38.963158
"310715"	407.803817	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+H+K"	39.970434
"703867"	601.713117	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+H+K"	39.970434
"1459514"	213.894517	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H+K"	39.970434
"250187"	817.671026	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+ACN+H"	42.033826
"1223375"	429.852426	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+ACN+H"	42.033826
"1205436"	215.429851	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+ACN+2H"	43.041102
"193936"	820.60836	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+2Na-H"	44.97116
"632404"	1208.42696	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+2Na-H"	44.97116
"1134815"	432.78976	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2Na-H"	44.97116
"187953"	410.807818	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+2Na"	45.978436
"619853"	604.717118	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+2Na"	45.978436
"1121535"	216.898518	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2Na"	45.978436
"1406884"	144.934770666667	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H+2Na"	46.985712
"1436083"	434.831346	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H+HCOOH"	47.012746
"228697"	415.84084	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+3H2O+2H"	56.04448
"1515667"	448.88339	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+IsoProp+H"	61.06479
"420823"	418.794788	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+Na+K"	61.952376
"783651"	612.704088	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+Na+K"	61.952376
"1679253"	224.885488	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Na+K"	61.952376
"265409"	839.652968	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+ACN+Na"	64.015768
"1237386"	451.834368	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+ACN+Na"	64.015768
"1726637"	451.857893	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+NH4+HCOOH"	64.039293
"1190533"	152.262084666667	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+3Na"	68.967654
"1664072"	456.813288	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Na+HCOOH"	68.994688
"171298"	852.55624	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+2K-H"	76.91904
"610127"	1240.37484	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+2K-H"	76.91904
"1097922"	464.73764	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2K-H"	76.91904
"155830"	426.781758	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"2M+2K"	77.926316
"595633"	620.691058	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"3M+2K"	77.926316
"1081723"	232.872458	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2K"	77.926316
"1112017"	466.752192	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2K+H"	78.933592
"1345121"	466.839807	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+DMSO+H"	79.021207
"1007091"	470.878976	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2ACN+H"	83.060376
"1529590"	471.872608	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+IsoProp+Na+H"	84.054008
"996038"	235.943126	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+2ACN+2H"	84.067652
"1597102"	472.787228	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+K+HCOOH"	84.968628
"1420577"	502.818738	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+H+CF3COOH"	115.000138
"1157425"	256.456401	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+3ACN+2H"	125.094202
"1710259"	519.845285	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+NH4+CF3COOH"	132.026685
"1645908"	524.80068	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+Na+CF3COOH"	136.98208
"1573905"	540.77462	"C18100"	"123478-Hexachlorodibenzodioxin;123478-Hexachlorodibenzo-p-dioxin;123478-HxCDD;PCDD 66"	"C12H2Cl6O2"	"387.8186"	"M+K+CF3COOH"	152.95602
"804269"	387.8186	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M"	0
"983270"	368.80021	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-H2O-H"	-19.01839
"72606"	257.538457333333	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M-3H"	-3.021828
"512166"	386.811324	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M-3H"	-3.021828
"891070"	128.265590666667	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-3H"	-3.021828
"6365"	386.811324	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M-2H"	-2.014552
"445925"	580.720624	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M-2H"	-2.014552
"822634"	192.902024	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-2H"	-2.014552
"85906"	774.629924	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M-H"	-1.007276
"525467"	1162.448524	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M-H"	-1.007276
"899987"	386.811324	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-H"	-1.007276
"58738"	791.656471	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M-2H+NH4"	16.019271
"497204"	1179.475071	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M-2H+NH4"	16.019271
"866500"	403.837871	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-2H+NH4"	16.019271
"39627"	796.611866	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M-2H+Na"	20.974666
"486699"	1184.430466	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M-2H+Na"	20.974666
"864142"	408.793266	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-2H+Na"	20.974666
"1633776"	408.793266	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Na-2H"	20.974666
"109790"	404.799663	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M-H+Cl"	33.962126
"548698"	598.708963	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M-H+Cl"	33.962126
"942335"	210.890363	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-H+Cl"	33.962126
"281249"	810.606602	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+Cl"	34.969402
"674893"	1198.425202	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+Cl"	34.969402
"1284982"	422.788002	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Cl"	34.969402
"23163"	812.585806	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M-2H+K"	36.948606
"466006"	1200.404406	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M-2H+K"	36.948606
"837246"	424.767206	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-2H+K"	36.948606
"1565112"	424.767206	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+K-2H"	36.948606
"952992"	432.816794	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-H+HCOOH"	44.998194
"372301"	820.635401	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+HCOOH-H"	44.998201
"356184"	834.651051	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+Hac-H"	59.013851
"1501740"	446.832451	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Hac-H"	59.013851
"961627"	454.798751	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-H+NaCOOH"	66.980151
"115275"	422.788002	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+2Cl"	69.938804
"553012"	616.697302	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+2Cl"	69.938804
"1024362"	228.878702	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2Cl"	69.938804
"1251594"	466.737485	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Br"	78.918885
"1316230"	468.793472	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Cl+HCOOH"	80.974872
"1328257"	490.775429	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Cl+NaCOOH"	102.956829
"920408"	500.804186	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M-H+CF3COOH"	112.985586
"1292743"	536.780864	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Cl+CF3COOH"	148.962264
"1368718"	352.805924	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H-2H2O"	-35.012676
"1389494"	370.8159	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H-H2O"	-17.0027
"296839"	776.644476	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+H"	1.007276
"688168"	1164.463076	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+H"	1.007276
"1362329"	388.825876	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H"	1.007276
"131211"	388.825876	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+2H"	2.014552
"573689"	582.735176	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+2H"	2.014552
"1044678"	194.916576	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2H"	2.014552
"214767"	259.553009333333	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+3H"	3.021828
"648494"	388.825876	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+3H"	3.021828
"1174639"	130.280142666667	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+3H"	3.021828
"438279"	793.671023	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+NH4"	18.033823
"798908"	1181.489623	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+NH4"	18.033823
"1693052"	405.852423	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+NH4"	18.033823
"341331"	397.3391495	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+H+NH4"	19.041099
"732658"	591.2484495	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+H+NH4"	19.041099
"1490851"	203.4298495	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H+NH4"	19.041099
"406616"	798.626418	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+Na"	22.989218
"768338"	1186.445018	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+Na"	22.989218
"1613155"	410.807818	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Na"	22.989218
"328297"	399.816847	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+H+Na"	23.996494
"720961"	593.726147	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+H+Na"	23.996494
"1472716"	205.907547	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H+Na"	23.996494
"1067662"	137.607456666667	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2H+Na"	25.00377
"1262172"	420.852086	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+CH3OH+H"	33.033486
"380750"	814.600358	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+K"	38.963158
"739192"	1202.418958	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+K"	38.963158
"1545991"	426.781758	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+K"	38.963158
"311553"	407.803817	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+H+K"	39.970434
"703977"	601.713117	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+H+K"	39.970434
"1459987"	213.894517	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H+K"	39.970434
"251026"	817.671026	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+ACN+H"	42.033826
"1223485"	429.852426	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+ACN+H"	42.033826
"1207733"	215.429851	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+ACN+2H"	43.041102
"194045"	820.60836	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+2Na-H"	44.97116
"632514"	1208.42696	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+2Na-H"	44.97116
"1136017"	432.78976	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2Na-H"	44.97116
"188146"	410.807818	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+2Na"	45.978436
"619963"	604.717118	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+2Na"	45.978436
"1124560"	216.898518	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2Na"	45.978436
"1405900"	144.934770666667	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H+2Na"	46.985712
"1436922"	434.831346	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H+HCOOH"	47.012746
"225527"	415.84084	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+3H2O+2H"	56.04448
"1515777"	448.88339	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+IsoProp+H"	61.06479
"422026"	418.794788	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+Na+K"	61.952376
"784491"	612.704088	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+Na+K"	61.952376
"1679728"	224.885488	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Na+K"	61.952376
"266247"	839.652968	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+ACN+Na"	64.015768
"1237496"	451.834368	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+ACN+Na"	64.015768
"1726747"	451.857893	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+NH4+HCOOH"	64.039293
"1191615"	152.262084666667	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+3Na"	68.967654
"1663817"	456.813288	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Na+HCOOH"	68.994688
"172257"	852.55624	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+2K-H"	76.91904
"610237"	1240.37484	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+2K-H"	76.91904
"1099005"	464.73764	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2K-H"	76.91904
"154847"	426.781758	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"2M+2K"	77.926316
"594406"	620.691058	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"3M+2K"	77.926316
"1081103"	232.872458	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2K"	77.926316
"1111034"	466.752192	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2K+H"	78.933592
"1341951"	466.839807	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+DMSO+H"	79.021207
"1007565"	470.878976	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2ACN+H"	83.060376
"1529700"	471.872608	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+IsoProp+Na+H"	84.054008
"996148"	235.943126	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+2ACN+2H"	84.067652
"1596119"	472.787228	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+K+HCOOH"	84.968628
"1420687"	502.818738	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+H+CF3COOH"	115.000138
"1157535"	256.456401	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+3ACN+2H"	125.094202
"1709276"	519.845285	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+NH4+CF3COOH"	132.026685
"1646018"	524.80068	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+Na+CF3COOH"	136.98208
"1574015"	540.77462	"C18101"	"123678-Hexachlorodibenzodioxin;123678-Hexachlorodibenzo-p-dioxin;123678-HxCDD;PCDD 67"	"C12H2Cl6O2"	"387.8186"	"M+K+CF3COOH"	152.95602
"812034"	387.8186	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M"	0
"988727"	368.80021	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-H2O-H"	-19.01839
"74904"	257.538457333333	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M-3H"	-3.021828
"514464"	386.811324	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M-3H"	-3.021828
"891180"	128.265590666667	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-3H"	-3.021828
"9755"	386.811324	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M-2H"	-2.014552
"447129"	580.720624	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M-2H"	-2.014552
"829305"	192.902024	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-2H"	-2.014552
"88203"	774.629924	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M-H"	-1.007276
"530681"	1162.448524	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M-H"	-1.007276
"905566"	386.811324	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-H"	-1.007276
"57755"	791.656471	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M-2H+NH4"	16.019271
"496220"	1179.475071	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M-2H+NH4"	16.019271
"868555"	403.837871	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-2H+NH4"	16.019271
"43017"	796.611866	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M-2H+Na"	20.974666
"487056"	1184.430466	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M-2H+Na"	20.974666
"864184"	408.793266	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-2H+Na"	20.974666
"1634047"	408.793266	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Na-2H"	20.974666
"109944"	404.799663	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M-H+Cl"	33.962126
"549256"	598.708963	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M-H+Cl"	33.962126
"942609"	210.890363	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-H+Cl"	33.962126
"282824"	810.606602	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+Cl"	34.969402
"672330"	1198.425202	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+Cl"	34.969402
"1288258"	422.788002	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Cl"	34.969402
"30929"	812.585806	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M-2H+K"	36.948606
"469398"	1200.404406	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M-2H+K"	36.948606
"847200"	424.767206	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-2H+K"	36.948606
"1566314"	424.767206	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+K-2H"	36.948606
"954928"	432.816794	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-H+HCOOH"	44.998194
"370225"	820.635401	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+HCOOH-H"	44.998201
"350827"	834.651051	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+Hac-H"	59.013851
"1504038"	446.832451	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Hac-H"	59.013851
"968298"	454.798751	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-H+NaCOOH"	66.980151
"116479"	422.788002	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+2Cl"	69.938804
"556769"	616.697302	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+2Cl"	69.938804
"1026662"	228.878702	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2Cl"	69.938804
"1246239"	466.737485	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Br"	78.918885
"1315247"	468.793472	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Cl+HCOOH"	80.974872
"1334080"	490.775429	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Cl+NaCOOH"	102.956829
"921612"	500.804186	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M-H+CF3COOH"	112.985586
"1293946"	536.780864	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Cl+CF3COOH"	148.962264
"1368096"	352.805924	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H-2H2O"	-35.012676
"1389604"	370.8159	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H-H2O"	-17.0027
"290385"	776.644476	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+H"	1.007276
"686091"	1164.463076	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+H"	1.007276
"1362439"	388.825876	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H"	1.007276
"130957"	388.825876	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+2H"	2.014552
"577080"	582.735176	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+2H"	2.014552
"1046976"	194.916576	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2H"	2.014552
"215970"	259.553009333333	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+3H"	3.021828
"650427"	388.825876	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+3H"	3.021828
"1173656"	130.280142666667	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+3H"	3.021828
"435837"	793.671023	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+NH4"	18.033823
"797926"	1181.489623	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+NH4"	18.033823
"1694258"	405.852423	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+NH4"	18.033823
"334516"	397.3391495	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+H+NH4"	19.041099
"724745"	591.2484495	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+H+NH4"	19.041099
"1487684"	203.4298495	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H+NH4"	19.041099
"403080"	798.626418	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+Na"	22.989218
"766265"	1186.445018	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+Na"	22.989218
"1616549"	410.807818	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Na"	22.989218
"328286"	399.816847	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+H+Na"	23.996494
"711353"	593.726147	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+H+Na"	23.996494
"1467359"	205.907547	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H+Na"	23.996494
"1056228"	137.607456666667	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2H+Na"	25.00377
"1260095"	420.852086	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+CH3OH+H"	33.033486
"378308"	814.600358	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+K"	38.963158
"738650"	1202.418958	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+K"	38.963158
"1539989"	426.781758	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+K"	38.963158
"313366"	407.803817	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+H+K"	39.970434
"707080"	601.713117	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+H+K"	39.970434
"1460220"	213.894517	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H+K"	39.970434
"251252"	817.671026	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+ACN+H"	42.033826
"1224203"	429.852426	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+ACN+H"	42.033826
"1209764"	215.429851	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+ACN+2H"	43.041102
"200716"	820.60836	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+2Na-H"	44.97116
"639184"	1208.42696	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+2Na-H"	44.97116
"1142689"	432.78976	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2Na-H"	44.97116
"187072"	410.807818	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+2Na"	45.978436
"628187"	604.717118	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+2Na"	45.978436
"1125765"	216.898518	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2Na"	45.978436
"1407105"	144.934770666667	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H+2Na"	46.985712
"1439221"	434.831346	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H+HCOOH"	47.012746
"227823"	415.84084	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+3H2O+2H"	56.04448
"1519168"	448.88339	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+IsoProp+H"	61.06479
"423596"	418.794788	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+Na+K"	61.952376
"784725"	612.704088	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+Na+K"	61.952376
"1678750"	224.885488	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Na+K"	61.952376
"264905"	839.652968	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+ACN+Na"	64.015768
"1239796"	451.834368	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+ACN+Na"	64.015768
"1727587"	451.857893	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+NH4+HCOOH"	64.039293
"1190754"	152.262084666667	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+3Na"	68.967654
"1664664"	456.813288	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Na+HCOOH"	68.994688
"172695"	852.55624	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+2K-H"	76.91904
"612420"	1240.37484	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+2K-H"	76.91904
"1099806"	464.73764	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2K-H"	76.91904
"154958"	426.781758	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"2M+2K"	77.926316
"596750"	620.691058	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"3M+2K"	77.926316
"1079026"	232.872458	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2K"	77.926316
"1113330"	466.752192	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2K+H"	78.933592
"1338781"	466.839807	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+DMSO+H"	79.021207
"1012779"	470.878976	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2ACN+H"	83.060376
"1534185"	471.872608	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+IsoProp+Na+H"	84.054008
"1003793"	235.943126	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+2ACN+2H"	84.067652
"1598417"	472.787228	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+K+HCOOH"	84.968628
"1424077"	502.818738	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+H+CF3COOH"	115.000138
"1157645"	256.456401	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+3ACN+2H"	125.094202
"1709386"	519.845285	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+NH4+CF3COOH"	132.026685
"1646128"	524.80068	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+Na+CF3COOH"	136.98208
"1574125"	540.77462	"C18102"	"123789-Hexachlorodibenzodioxin;123789-Hexachlorodibenzo-p-dioxin;123789-HxCDD;PCDD 70"	"C12H2Cl6O2"	"387.8186"	"M+K+CF3COOH"	152.95602
"807769"	421.7796	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M"	0
"983490"	402.76121	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-H2O-H"	-19.01839
"76106"	280.179124	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M-3H"	-3.021828
"513479"	420.772324	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M-3H"	-3.021828
"895178"	139.585924	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-3H"	-3.021828
"9865"	420.772324	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M-2H"	-2.014552
"445052"	631.662124	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M-2H"	-2.014552
"829415"	209.882524	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-2H"	-2.014552
"88313"	842.551924	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M-H"	-1.007276
"524593"	1264.331524	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M-H"	-1.007276
"903489"	420.772324	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-H"	-1.007276
"57865"	859.578471	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M-2H+NH4"	16.019271
"495237"	1281.358071	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M-2H+NH4"	16.019271
"868665"	437.798871	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-2H+NH4"	16.019271
"39847"	864.533866	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M-2H+Na"	20.974666
"487038"	1286.313466	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M-2H+Na"	20.974666
"864155"	442.754266	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-2H+Na"	20.974666
"1634045"	442.754266	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Na-2H"	20.974666
"109719"	438.760663	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M-H+Cl"	33.962126
"549563"	649.650463	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M-H+Cl"	33.962126
"942474"	227.870863	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-H+Cl"	33.962126
"282160"	878.528602	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+Cl"	34.969402
"675357"	1300.308202	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+Cl"	34.969402
"1288354"	456.749002	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Cl"	34.969402
"31040"	880.507806	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M-2H+K"	36.948606
"469508"	1302.287406	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M-2H+K"	36.948606
"847310"	458.728206	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-2H+K"	36.948606
"1566424"	458.728206	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+K-2H"	36.948606
"954309"	466.777794	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-H+HCOOH"	44.998194
"370336"	888.557401	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+HCOOH-H"	44.998201
"350937"	902.573051	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+Hac-H"	59.013851
"1504148"	480.793451	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Hac-H"	59.013851
"967315"	488.759751	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-H+NaCOOH"	66.980151
"116225"	456.749002	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+2Cl"	69.938804
"556879"	667.638802	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+2Cl"	69.938804
"1025679"	245.859202	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2Cl"	69.938804
"1246349"	500.698485	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Br"	78.918885
"1317180"	502.754472	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Cl+HCOOH"	80.974872
"1333218"	524.736429	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Cl+NaCOOH"	102.956829
"923909"	534.765186	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M-H+CF3COOH"	112.985586
"1294056"	570.741864	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Cl+CF3COOH"	148.962264
"1369299"	386.766924	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H-2H2O"	-35.012676
"1388621"	404.7769	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H-H2O"	-17.0027
"289402"	844.566476	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+H"	1.007276
"686201"	1266.346076	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+H"	1.007276
"1362549"	422.786876	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H"	1.007276
"139814"	422.786876	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+2H"	2.014552
"571723"	633.676676	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+2H"	2.014552
"1047083"	211.897076	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2H"	2.014552
"211705"	282.193676	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+3H"	3.021828
"648349"	422.786876	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+3H"	3.021828
"1170485"	141.600476	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+3H"	3.021828
"434852"	861.593023	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+NH4"	18.033823
"794756"	1283.372623	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+NH4"	18.033823
"1692180"	439.813423	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+NH4"	18.033823
"336085"	431.3001495	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+H+NH4"	19.041099
"723763"	642.1899495	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+H+NH4"	19.041099
"1487794"	220.4103495	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H+NH4"	19.041099
"399911"	866.548418	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+Na"	22.989218
"766011"	1288.328018	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+Na"	22.989218
"1615201"	444.768818	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Na"	22.989218
"327425"	433.777847	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+H+Na"	23.996494
"718023"	644.667647	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+H+Na"	23.996494
"1467469"	222.888047	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H+Na"	23.996494
"1057433"	148.92779	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2H+Na"	25.00377
"1261663"	454.813086	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+CH3OH+H"	33.033486
"380970"	882.522358	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+K"	38.963158
"738523"	1304.301958	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+K"	38.963158
"1540042"	460.742758	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+K"	38.963158
"305576"	441.764817	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+H+K"	39.970434
"704926"	652.654617	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+H+K"	39.970434
"1460856"	230.875017	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H+K"	39.970434
"251044"	885.593026	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+ACN+H"	42.033826
"1224434"	463.813426	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+ACN+H"	42.033826
"1209293"	232.410351	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+ACN+2H"	43.041102
"200826"	888.53036	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+2Na-H"	44.97116
"639294"	1310.30996	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+2Na-H"	44.97116
"1142799"	466.75076	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2Na-H"	44.97116
"187182"	444.768818	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+2Na"	45.978436
"628452"	655.658618	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+2Na"	45.978436
"1122595"	233.879018	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2Na"	45.978436
"1406122"	156.255104	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H+2Na"	46.985712
"1439331"	468.792346	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H+HCOOH"	47.012746
"227933"	449.80184	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+3H2O+2H"	56.04448
"1518185"	482.84439	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+IsoProp+H"	61.06479
"423666"	452.755788	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+Na+K"	61.952376
"785358"	663.645588	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+Na+K"	61.952376
"1680319"	241.865988	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Na+K"	61.952376
"266717"	907.574968	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+ACN+Na"	64.015768
"1240277"	485.795368	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+ACN+Na"	64.015768
"1728352"	485.818893	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+NH4+HCOOH"	64.039293
"1194081"	163.582418	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+3Na"	68.967654
"1665469"	490.774288	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Na+HCOOH"	68.994688
"172834"	920.47824	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+2K-H"	76.91904
"612783"	1342.25784	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+2K-H"	76.91904
"1099681"	498.69864	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2K-H"	76.91904
"157049"	460.742758	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"2M+2K"	77.926316
"596986"	671.632558	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"3M+2K"	77.926316
"1079136"	249.852958	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2K"	77.926316
"1112347"	500.713192	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2K+H"	78.933592
"1339255"	500.800807	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+DMSO+H"	79.021207
"1012889"	504.839976	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2ACN+H"	83.060376
"1529920"	505.833608	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+IsoProp+Na+H"	84.054008
"998555"	252.923626	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+2ACN+2H"	84.067652
"1595247"	506.748228	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+K+HCOOH"	84.968628
"1423094"	536.779738	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+H+CF3COOH"	115.000138
"1157755"	273.436901	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+3ACN+2H"	125.094202
"1709495"	553.806285	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+NH4+CF3COOH"	132.026685
"1646238"	558.76168	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+Na+CF3COOH"	136.98208
"1574235"	574.73562	"C18103"	"1234678-Heptachlorodibenzodioxin;1234678-Heptachlorodibenzo-p-dioxin;1234678-HpCDD;PCDD 73"	"C12HCl7O2"	"421.7796"	"M+K+CF3COOH"	152.95602
"805692"	303.9016	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M"	0
"983600"	284.88321	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-H2O-H"	-19.01839
"71842"	201.593790666667	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M-3H"	-3.021828
"513589"	302.894324	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M-3H"	-3.021828
"893588"	100.293257333333	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-3H"	-3.021828
"9975"	302.894324	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M-2H"	-2.014552
"447349"	454.845124	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M-2H"	-2.014552
"821870"	150.943524	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-2H"	-2.014552
"86235"	606.795924	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M-H"	-1.007276
"524703"	910.697524	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M-H"	-1.007276
"903597"	302.894324	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-H"	-1.007276
"55788"	623.822471	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M-2H+NH4"	16.019271
"495347"	927.724071	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M-2H+NH4"	16.019271
"867679"	319.920871	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-2H+NH4"	16.019271
"39957"	628.777866	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M-2H+Na"	20.974666
"486329"	932.679466	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M-2H+Na"	20.974666
"860602"	324.876266	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-2H+Na"	20.974666
"1630135"	324.876266	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Na-2H"	20.974666
"108854"	320.882663	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M-H+Cl"	33.962126
"548297"	472.833463	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M-H+Cl"	33.962126
"942298"	168.931863	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-H+Cl"	33.962126
"282068"	642.772602	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+Cl"	34.969402
"671814"	946.674202	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+Cl"	34.969402
"1287499"	338.871002	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Cl"	34.969402
"29934"	644.751806	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M-2H+K"	36.948606
"468524"	948.653406	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M-2H+K"	36.948606
"847420"	340.850206	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-2H+K"	36.948606
"1566534"	340.850206	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+K-2H"	36.948606
"952231"	348.899794	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-H+HCOOH"	44.998194
"369353"	652.801401	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+HCOOH-H"	44.998201
"353233"	666.817051	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+Hac-H"	59.013851
"1503165"	362.915451	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Hac-H"	59.013851
"965238"	370.881751	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-H+NaCOOH"	66.980151
"116335"	338.871002	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+2Cl"	69.938804
"560269"	490.821802	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+2Cl"	69.938804
"1025789"	186.920202	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2Cl"	69.938804
"1246459"	382.820485	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Br"	78.918885
"1315468"	384.876472	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Cl+HCOOH"	80.974872
"1333693"	406.858429	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Cl+NaCOOH"	102.956829
"924019"	416.887186	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M-H+CF3COOH"	112.985586
"1293073"	452.863864	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Cl+CF3COOH"	148.962264
"1369409"	268.888924	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H-2H2O"	-35.012676
"1386544"	286.8989	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H-H2O"	-17.0027
"289512"	608.810476	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+H"	1.007276
"689228"	912.712076	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+H"	1.007276
"1363752"	304.908876	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H"	1.007276
"139924"	304.908876	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+2H"	2.014552
"571833"	456.859676	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+2H"	2.014552
"1046100"	152.958076	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2H"	2.014552
"211814"	203.608342666667	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+3H"	3.021828
"648459"	304.908876	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+3H"	3.021828
"1171688"	102.307809333333	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+3H"	3.021828
"431681"	625.837023	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+NH4"	18.033823
"795959"	929.738623	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+NH4"	18.033823
"1684636"	321.935423	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+NH4"	18.033823
"335100"	313.4221495	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+H+NH4"	19.041099
"727521"	465.3729495	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+H+NH4"	19.041099
"1484622"	161.4713495	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H+NH4"	19.041099
"400022"	630.792418	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+Na"	22.989218
"765391"	934.694018	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+Na"	22.989218
"1614948"	326.890818	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Na"	22.989218
"327778"	315.899847	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+H+Na"	23.996494
"717040"	467.850647	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+H+Na"	23.996494
"1466483"	163.949047	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H+Na"	23.996494
"1058636"	109.635123333333	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2H+Na"	25.00377
"1262502"	336.935086	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+CH3OH+H"	33.033486
"384358"	646.766358	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+K"	38.963158
"743167"	950.667958	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+K"	38.963158
"1541940"	342.864758	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+K"	38.963158
"308965"	323.886817	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+H+K"	39.970434
"704672"	475.837617	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+H+K"	39.970434
"1460318"	171.936017	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H+K"	39.970434
"251110"	649.837026	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+ACN+H"	42.033826
"1224914"	345.935426	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+ACN+H"	42.033826
"1208065"	173.471351	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+ACN+2H"	43.041102
"202518"	652.77436	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+2Na-H"	44.97116
"641956"	956.67596	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+2Na-H"	44.97116
"1141816"	348.87276	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2Na-H"	44.97116
"186564"	326.890818	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+2Na"	45.978436
"627588"	478.841618	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+2Na"	45.978436
"1127078"	174.940018	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2Na"	45.978436
"1406232"	116.962437333333	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H+2Na"	46.985712
"1438713"	350.914346	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H+HCOOH"	47.012746
"228775"	331.92384	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+3H2O+2H"	56.04448
"1517567"	364.96639	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+IsoProp+H"	61.06479
"421630"	334.877788	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+Na+K"	61.952376
"785589"	486.828588	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+Na+K"	61.952376
"1680915"	182.926988	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Na+K"	61.952376
"266905"	671.818968	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+ACN+Na"	64.015768
"1240022"	367.917368	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+ACN+Na"	64.015768
"1728414"	367.940893	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+NH4+HCOOH"	64.039293
"1194141"	124.289751333333	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+3Na"	68.967654
"1665410"	372.896288	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Na+HCOOH"	68.994688
"172678"	684.72224	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+2K-H"	76.91904
"612794"	988.62384	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+2K-H"	76.91904
"1099834"	380.82064	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2K-H"	76.91904
"156930"	342.864758	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"2M+2K"	77.926316
"595466"	494.815558	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"3M+2K"	77.926316
"1080340"	190.913958	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2K"	77.926316
"1112457"	382.835192	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2K+H"	78.933592
"1345562"	382.922807	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+DMSO+H"	79.021207
"1012999"	386.961976	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2ACN+H"	83.060376
"1528937"	387.955608	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+IsoProp+Na+H"	84.054008
"998665"	193.984626	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+2ACN+2H"	84.067652
"1596451"	388.870228	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+K+HCOOH"	84.968628
"1422111"	418.901738	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+H+CF3COOH"	115.000138
"1155679"	214.497901	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+3ACN+2H"	125.094202
"1707419"	435.928285	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+NH4+CF3COOH"	132.026685
"1646348"	440.88368	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+Na+CF3COOH"	136.98208
"1574345"	456.85762	"C18104"	"2378-Tetrachlorodibenzofuran;2378-TCDF;PCDF 83"	"C12H4Cl4O"	"303.9016"	"M+K+CF3COOH"	152.95602
"804709"	337.8627	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M"	0
"983710"	318.84431	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-H2O-H"	-19.01839
"69766"	224.234524	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M-3H"	-3.021828
"510419"	336.855424	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M-3H"	-3.021828
"892601"	111.613624	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-3H"	-3.021828
"8992"	336.855424	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M-2H"	-2.014552
"447459"	505.786774	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M-2H"	-2.014552
"821980"	167.924074	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-2H"	-2.014552
"85251"	674.718124	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M-H"	-1.007276
"528092"	1012.580824	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M-H"	-1.007276
"903707"	336.855424	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-H"	-1.007276
"55898"	691.744671	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M-2H+NH4"	16.019271
"495457"	1029.607371	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M-2H+NH4"	16.019271
"870340"	353.881971	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-2H+NH4"	16.019271
"40067"	696.700066	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M-2H+Na"	20.974666
"486075"	1034.562766	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M-2H+Na"	20.974666
"860348"	358.837366	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-2H+Na"	20.974666
"1630246"	358.837366	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Na-2H"	20.974666
"105683"	354.843763	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M-H+Cl"	33.962126
"545241"	523.775113	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M-H+Cl"	33.962126
"939852"	185.912413	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-H+Cl"	33.962126
"277313"	710.694802	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+Cl"	34.969402
"671923"	1048.557502	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+Cl"	34.969402
"1283234"	372.832102	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Cl"	34.969402
"28707"	712.674006	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M-2H+K"	36.948606
"466447"	1050.536706	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M-2H+K"	36.948606
"845342"	374.811306	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-2H+K"	36.948606
"1566644"	374.811306	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+K-2H"	36.948606
"952341"	382.860894	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-H+HCOOH"	44.998194
"370555"	720.723601	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+HCOOH-H"	44.998201
"353343"	734.739251	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+Hac-H"	59.013851
"1504367"	396.876551	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Hac-H"	59.013851
"965348"	404.842851	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-H+NaCOOH"	66.980151
"116445"	372.832102	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+2Cl"	69.938804
"554912"	541.763452	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+2Cl"	69.938804
"1026992"	203.900752	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2Cl"	69.938804
"1245475"	416.781585	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Br"	78.918885
"1313390"	418.837572	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Cl+HCOOH"	80.974872
"1333073"	440.819529	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Cl+NaCOOH"	102.956829
"924129"	450.848286	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M-H+CF3COOH"	112.985586
"1294276"	486.824964	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Cl+CF3COOH"	148.962264
"1370247"	302.850024	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H-2H2O"	-35.012676
"1386653"	320.86	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H-H2O"	-17.0027
"285246"	676.732676	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+H"	1.007276
"686423"	1014.595376	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+H"	1.007276
"1363862"	338.869976	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H"	1.007276
"136755"	338.869976	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+2H"	2.014552
"571943"	507.801326	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+2H"	2.014552
"1044023"	169.938626	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2H"	2.014552
"208644"	226.249076	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+3H"	3.021828
"645287"	338.869976	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+3H"	3.021828
"1171798"	113.628176	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+3H"	3.021828
"433979"	693.759223	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+NH4"	18.033823
"793878"	1031.621923	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+NH4"	18.033823
"1688024"	355.896523	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+NH4"	18.033823
"338488"	347.3832495	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+H+NH4"	19.041099
"728721"	516.3145995	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+H+NH4"	19.041099
"1486916"	178.4518995	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H+NH4"	19.041099
"402315"	698.714618	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+Na"	22.989218
"765498"	1036.577318	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+Na"	22.989218
"1610315"	360.851918	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Na"	22.989218
"326913"	349.860947	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+H+Na"	23.996494
"714961"	518.792297	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+H+Na"	23.996494
"1465500"	180.929597	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H+Na"	23.996494
"1056559"	120.95549	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2H+Na"	25.00377
"1261518"	370.896186	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+CH3OH+H"	33.033486
"380094"	714.688558	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+K"	38.963158
"740118"	1052.551258	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+K"	38.963158
"1542050"	376.825858	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+K"	38.963158
"306889"	357.847917	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+H+K"	39.970434
"704053"	526.779267	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+H+K"	39.970434
"1460307"	188.916567	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H+K"	39.970434
"251063"	717.759226	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+ACN+H"	42.033826
"1224904"	379.896526	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+ACN+H"	42.033826
"1209643"	190.451901	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+ACN+2H"	43.041102
"202506"	720.69656	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+2Na-H"	44.97116
"641702"	1058.55926	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+2Na-H"	44.97116
"1145210"	382.83386	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2Na-H"	44.97116
"186921"	360.851918	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+2Na"	45.978436
"627699"	529.783268	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+2Na"	45.978436
"1125000"	191.920568	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2Na"	45.978436
"1407071"	128.282804	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H+2Na"	46.985712
"1437730"	384.875446	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H+HCOOH"	47.012746
"228885"	365.88494	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+3H2O+2H"	56.04448
"1520228"	398.92749	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+IsoProp+H"	61.06479
"422469"	368.838888	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+Na+K"	61.952376
"785170"	537.770238	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+Na+K"	61.952376
"1680822"	199.907538	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Na+K"	61.952376
"265967"	739.741168	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+ACN+Na"	64.015768
"1240134"	401.878468	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+ACN+Na"	64.015768
"1728392"	401.901993	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+NH4+HCOOH"	64.039293
"1193970"	135.610118	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+3Na"	68.967654
"1665116"	406.857388	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Na+HCOOH"	68.994688
"172627"	752.64444	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+2K-H"	76.91904
"612673"	1090.50714	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+2K-H"	76.91904
"1099738"	414.78174	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2K-H"	76.91904
"156959"	376.825858	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"2M+2K"	77.926316
"595576"	545.757208	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"3M+2K"	77.926316
"1080450"	207.894508	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2K"	77.926316
"1113297"	416.796292	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2K+H"	78.933592
"1344579"	416.883907	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+DMSO+H"	79.021207
"1013109"	420.923076	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2ACN+H"	83.060376
"1530140"	421.916708	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+IsoProp+Na+H"	84.054008
"998775"	210.965176	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+2ACN+2H"	84.067652
"1596561"	422.831328	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+K+HCOOH"	84.968628
"1422221"	452.862838	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+H+CF3COOH"	115.000138
"1157975"	231.478451	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+3ACN+2H"	125.094202
"1709716"	469.889385	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+NH4+CF3COOH"	132.026685
"1646458"	474.84478	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+Na+CF3COOH"	136.98208
"1574455"	490.81872	"C18105"	"12378-Pentachlorodibenzofuran;12378-PeCDF;PCDF 94"	"C12H3Cl5O"	"337.8627"	"M+K+CF3COOH"	152.95602
"804819"	337.8627	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M"	0
"983820"	318.84431	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-H2O-H"	-19.01839
"73156"	224.234524	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M-3H"	-3.021828
"514902"	336.855424	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M-3H"	-3.021828
"892711"	111.613624	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-3H"	-3.021828
"6915"	336.855424	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M-2H"	-2.014552
"447569"	505.786774	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M-2H"	-2.014552
"820266"	167.924074	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-2H"	-2.014552
"83538"	674.718124	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M-H"	-1.007276
"527109"	1012.580824	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M-H"	-1.007276
"902723"	336.855424	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-H"	-1.007276
"57101"	691.744671	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M-2H+NH4"	16.019271
"496659"	1029.607371	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M-2H+NH4"	16.019271
"868992"	353.881971	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-2H+NH4"	16.019271
"39083"	696.700066	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M-2H+Na"	20.974666
"484113"	1034.562766	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M-2H+Na"	20.974666
"860458"	358.837366	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-2H+Na"	20.974666
"1631082"	358.837366	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Na-2H"	20.974666
"105790"	354.843763	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M-H+Cl"	33.962126
"545351"	523.775113	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M-H+Cl"	33.962126
"941419"	185.912413	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-H+Cl"	33.962126
"278516"	710.694802	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+Cl"	34.969402
"668751"	1048.557502	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+Cl"	34.969402
"1286624"	372.832102	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Cl"	34.969402
"25899"	712.674006	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M-2H+K"	36.948606
"465464"	1050.536706	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M-2H+K"	36.948606
"845451"	374.811306	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-2H+K"	36.948606
"1566753"	374.811306	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+K-2H"	36.948606
"945890"	382.860894	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-H+HCOOH"	44.998194
"368478"	720.723601	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+HCOOH-H"	44.998201
"350171"	734.739251	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+Hac-H"	59.013851
"1503384"	396.876551	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Hac-H"	59.013851
"963270"	404.842851	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-H+NaCOOH"	66.980151
"117648"	372.832102	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+2Cl"	69.938804
"555022"	541.763452	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+2Cl"	69.938804
"1027101"	203.900752	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2Cl"	69.938804
"1245584"	416.781585	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Br"	78.918885
"1315686"	418.837572	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Cl+HCOOH"	80.974872
"1330996"	440.819529	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Cl+NaCOOH"	102.956829
"918771"	450.848286	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M-H+CF3COOH"	112.985586
"1293657"	486.824964	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Cl+CF3COOH"	148.962264
"1368172"	302.850024	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H-2H2O"	-35.012676
"1384940"	320.86	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H-H2O"	-17.0027
"284264"	676.732676	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+H"	1.007276
"686529"	1014.595376	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+H"	1.007276
"1362879"	338.869976	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H"	1.007276
"132487"	338.869976	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+2H"	2.014552
"572416"	507.801326	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+2H"	2.014552
"1045226"	169.938626	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2H"	2.014552
"212033"	226.249076	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+3H"	3.021828
"648678"	338.869976	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+3H"	3.021828
"1168627"	113.628176	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+3H"	3.021828
"432994"	693.759223	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+NH4"	18.033823
"791800"	1031.621923	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+NH4"	18.033823
"1687038"	355.896523	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+NH4"	18.033823
"339690"	347.3832495	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+H+NH4"	19.041099
"731017"	516.3145995	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+H+NH4"	19.041099
"1481557"	178.4518995	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H+NH4"	19.041099
"401331"	698.714618	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+Na"	22.989218
"762326"	1036.577318	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+Na"	22.989218
"1609331"	360.851918	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Na"	22.989218
"321555"	349.860947	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+H+Na"	23.996494
"716164"	518.792297	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+H+Na"	23.996494
"1465610"	180.929597	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H+Na"	23.996494
"1057762"	120.95549	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2H+Na"	25.00377
"1261628"	370.896186	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+CH3OH+H"	33.033486
"381297"	714.688558	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+K"	38.963158
"740109"	1052.551258	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+K"	38.963158
"1541796"	376.825858	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+K"	38.963158
"300064"	357.847917	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+H+K"	39.970434
"704162"	526.779267	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+H+K"	39.970434
"1456892"	188.916567	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H+K"	39.970434
"251358"	717.759226	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+ACN+H"	42.033826
"1222213"	379.896526	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+ACN+H"	42.033826
"1209895"	190.451901	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+ACN+2H"	43.041102
"203102"	720.69656	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+2Na-H"	44.97116
"642421"	1058.55926	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+2Na-H"	44.97116
"1146172"	382.83386	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2Na-H"	44.97116
"187884"	360.851918	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+2Na"	45.978436
"625620"	529.783268	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+2Na"	45.978436
"1129854"	191.920568	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2Na"	45.978436
"1413497"	128.282804	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H+2Na"	46.985712
"1441843"	384.875446	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H+HCOOH"	47.012746
"224614"	365.88494	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+3H2O+2H"	56.04448
"1518513"	398.92749	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+IsoProp+H"	61.06479
"422579"	368.838888	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+Na+K"	61.952376
"782115"	537.770238	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+Na+K"	61.952376
"1675167"	199.907538	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Na+K"	61.952376
"266432"	739.741168	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+ACN+Na"	64.015768
"1240728"	401.878468	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+ACN+Na"	64.015768
"1727997"	401.901993	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+NH4+HCOOH"	64.039293
"1193146"	135.610118	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+3Na"	68.967654
"1662914"	406.857388	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Na+HCOOH"	68.994688
"170140"	752.64444	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+2K-H"	76.91904
"611645"	1090.50714	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+2K-H"	76.91904
"1099846"	414.78174	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2K-H"	76.91904
"156947"	376.825858	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"2M+2K"	77.926316
"595687"	545.757208	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"3M+2K"	77.926316
"1080560"	207.894508	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2K"	77.926316
"1109398"	416.796292	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2K+H"	78.933592
"1343596"	416.883907	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+DMSO+H"	79.021207
"1016501"	420.923076	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2ACN+H"	83.060376
"1529157"	421.916708	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+IsoProp+Na+H"	84.054008
"998885"	210.965176	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+2ACN+2H"	84.067652
"1596671"	422.831328	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+K+HCOOH"	84.968628
"1422331"	452.862838	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+H+CF3COOH"	115.000138
"1156992"	231.478451	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+3ACN+2H"	125.094202
"1709826"	469.889385	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+NH4+CF3COOH"	132.026685
"1645475"	474.84478	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+Na+CF3COOH"	136.98208
"1574565"	490.81872	"C18106"	"23478-Pentachlorodibenzofuran;23478-PeCDF;PCDF 114"	"C12H3Cl5O"	"337.8627"	"M+K+CF3COOH"	152.95602
"808209"	371.8237	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M"	0
"985024"	352.80531	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-H2O-H"	-19.01839
"76546"	246.875190666667	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M-3H"	-3.021828
"515012"	370.816424	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M-3H"	-3.021828
"886260"	122.933957333333	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-3H"	-3.021828
"2652"	370.816424	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M-2H"	-2.014552
"443670"	556.728274	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M-2H"	-2.014552
"818919"	184.904574	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-2H"	-2.014552
"86564"	742.640124	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M-H"	-1.007276
"523938"	1114.463824	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M-H"	-1.007276
"897730"	370.816424	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-H"	-1.007276
"57211"	759.666671	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M-2H+NH4"	16.019271
"493490"	1131.490371	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M-2H+NH4"	16.019271
"869103"	387.842971	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-2H+NH4"	16.019271
"35909"	764.622066	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M-2H+Na"	20.974666
"483130"	1136.445766	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M-2H+Na"	20.974666
"859836"	392.798366	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-2H+Na"	20.974666
"1629371"	392.798366	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Na-2H"	20.974666
"104806"	388.804763	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M-H+Cl"	33.962126
"543275"	574.716613	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M-H+Cl"	33.962126
"939706"	202.892913	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-H+Cl"	33.962126
"280814"	778.616802	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+Cl"	34.969402
"668861"	1150.440502	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+Cl"	34.969402
"1285640"	406.793102	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Cl"	34.969402
"26009"	780.596006	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M-2H+K"	36.948606
"467761"	1152.419706	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M-2H+K"	36.948606
"845562"	408.772306	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-2H+K"	36.948606
"1567956"	408.772306	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+K-2H"	36.948606
"946000"	416.821894	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-H+HCOOH"	44.998194
"369681"	788.645601	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+HCOOH-H"	44.998201
"353562"	802.661251	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+Hac-H"	59.013851
"1500214"	430.837551	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Hac-H"	59.013851
"962651"	438.803851	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-H+NaCOOH"	66.980151
"116665"	406.793102	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+2Cl"	69.938804
"557319"	592.704952	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+2Cl"	69.938804
"1026118"	220.881252	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2Cl"	69.938804
"1248974"	450.742585	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Br"	78.918885
"1313611"	452.798572	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Cl+HCOOH"	80.974872
"1331106"	474.780529	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Cl+NaCOOH"	102.956829
"919974"	484.809286	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M-H+CF3COOH"	112.985586
"1293403"	520.785964	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Cl+CF3COOH"	148.962264
"1369375"	336.811024	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H-2H2O"	-35.012676
"1385050"	354.821	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H-H2O"	-17.0027
"285467"	744.654676	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+H"	1.007276
"686639"	1116.478376	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+H"	1.007276
"1361896"	372.830976	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H"	1.007276
"134784"	372.830976	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+2H"	2.014552
"569610"	558.742826	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+2H"	2.014552
"1041690"	186.919126	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2H"	2.014552
"209227"	248.889742666667	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+3H"	3.021828
"653890"	372.830976	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+3H"	3.021828
"1169828"	124.948509333333	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+3H"	3.021828
"430548"	761.681223	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+NH4"	18.033823
"790450"	1133.504923	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+NH4"	18.033823
"1686780"	389.857523	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+NH4"	18.033823
"335423"	381.3442495	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+H+NH4"	19.041099
"730033"	567.2560995	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+H+NH4"	19.041099
"1481667"	195.4323995	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H+NH4"	19.041099
"402534"	766.636618	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+Na"	22.989218
"763530"	1138.460318	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+Na"	22.989218
"1614908"	394.812918	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Na"	22.989218
"321665"	383.821947	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+H+Na"	23.996494
"717367"	569.733797	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+H+Na"	23.996494
"1466815"	197.910097	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H+Na"	23.996494
"1058966"	132.275823333333	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2H+Na"	25.00377
"1261737"	404.857186	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+CH3OH+H"	33.033486
"380313"	782.610558	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+K"	38.963158
"739609"	1154.434258	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+K"	38.963158
"1544822"	410.786858	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+K"	38.963158
"300174"	391.808917	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+H+K"	39.970434
"698438"	577.720767	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+H+K"	39.970434
"1459550"	205.897067	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H+K"	39.970434
"251212"	785.681226	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+ACN+H"	42.033826
"1223051"	413.857526	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+ACN+H"	42.033826
"1206205"	207.432401	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+ACN+2H"	43.041102
"203212"	788.61856	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+2Na-H"	44.97116
"643624"	1160.44226	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+2Na-H"	44.97116
"1145673"	416.79486	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2Na-H"	44.97116
"187506"	394.812918	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+2Na"	45.978436
"626822"	580.724768	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+2Na"	45.978436
"1129964"	208.901068	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2Na"	45.978436
"1413931"	139.603137333333	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H+2Na"	46.985712
"1439766"	418.836446	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H+HCOOH"	47.012746
"225089"	399.84594	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+3H2O+2H"	56.04448
"1517529"	432.88849	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+H"	61.06479
"421598"	402.799888	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+Na+K"	61.952376
"781859"	588.711738	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+Na+K"	61.952376
"1676733"	216.888038	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Na+K"	61.952376
"263626"	807.663168	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+ACN+Na"	64.015768
"1241083"	435.839468	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+ACN+Na"	64.015768
"1728375"	435.862993	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+NH4+HCOOH"	64.039293
"1194080"	146.930451333333	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+3Na"	68.967654
"1664361"	440.818388	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Na+HCOOH"	68.994688
"171343"	820.56644	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+2K-H"	76.91904
"612651"	1192.39014	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+2K-H"	76.91904
"1099772"	448.74274	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2K-H"	76.91904
"156850"	410.786858	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"2M+2K"	77.926316
"592879"	596.698708	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"3M+2K"	77.926316
"1080668"	224.875008	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2K"	77.926316
"1109508"	450.757292	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2K+H"	78.933592
"1344799"	450.844907	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+DMSO+H"	79.021207
"1016611"	454.884076	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2ACN+H"	83.060376
"1527080"	455.877708	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+Na+H"	84.054008
"996808"	227.945676	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+2ACN+2H"	84.067652
"1596781"	456.792328	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+K+HCOOH"	84.968628
"1422441"	486.823838	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+H+CF3COOH"	115.000138
"1157102"	248.458951	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+3ACN+2H"	125.094202
"1709936"	503.850385	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+NH4+CF3COOH"	132.026685
"1645585"	508.80578	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+Na+CF3COOH"	136.98208
"1574675"	524.77972	"C18107"	"123478-Hexachlorodibenzofuran;123478-HxCDF;PCDF 118"	"C12H2Cl6O"	"371.8237"	"M+K+CF3COOH"	152.95602
"805039"	371.8237	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M"	0
"984040"	352.80531	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-H2O-H"	-19.01839
"76656"	246.875190666667	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M-3H"	-3.021828
"511842"	370.816424	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M-3H"	-3.021828
"888556"	122.933957333333	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-3H"	-3.021828
"8229"	370.816424	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M-2H"	-2.014552
"448883"	556.728274	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M-2H"	-2.014552
"828869"	184.904574	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-2H"	-2.014552
"91048"	742.640124	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M-H"	-1.007276
"526235"	1114.463824	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M-H"	-1.007276
"901850"	370.816424	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-H"	-1.007276
"57321"	759.666671	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M-2H+NH4"	16.019271
"494693"	1131.490371	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M-2H+NH4"	16.019271
"872492"	387.842971	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-2H+NH4"	16.019271
"42579"	764.622066	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M-2H+Na"	20.974666
"485307"	1136.445766	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M-2H+Na"	20.974666
"858852"	392.798366	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-2H+Na"	20.974666
"1630209"	392.798366	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Na-2H"	20.974666
"103822"	388.804763	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M-H+Cl"	33.962126
"544475"	574.716613	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M-H+Cl"	33.962126
"941761"	202.892913	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-H+Cl"	33.962126
"282344"	778.616802	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+Cl"	34.969402
"668971"	1150.440502	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+Cl"	34.969402
"1284657"	406.793102	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Cl"	34.969402
"26119"	780.596006	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M-2H+K"	36.948606
"466411"	1152.419706	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M-2H+K"	36.948606
"847818"	408.772306	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-2H+K"	36.948606
"1563691"	408.772306	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+K-2H"	36.948606
"954856"	416.821894	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-H+HCOOH"	44.998194
"369791"	788.645601	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+HCOOH-H"	44.998201
"351485"	802.661251	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+Hac-H"	59.013851
"1500324"	430.837551	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Hac-H"	59.013851
"966771"	438.803851	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-H+NaCOOH"	66.980151
"116775"	406.793102	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+2Cl"	69.938804
"557429"	592.704952	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+2Cl"	69.938804
"1026228"	220.881252	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2Cl"	69.938804
"1247991"	450.742585	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Br"	78.918885
"1314814"	452.798572	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Cl+HCOOH"	80.974872
"1332309"	474.780529	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Cl+NaCOOH"	102.956829
"920084"	484.809286	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M-H+CF3COOH"	112.985586
"1293877"	520.785964	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Cl+CF3COOH"	148.962264
"1368393"	336.811024	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H-2H2O"	-35.012676
"1384795"	354.821	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H-H2O"	-17.0027
"283751"	744.654676	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+H"	1.007276
"686749"	1116.478376	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+H"	1.007276
"1360912"	372.830976	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H"	1.007276
"133801"	372.830976	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+2H"	2.014552
"569356"	558.742826	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+2H"	2.014552
"1046539"	186.919126	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2H"	2.014552
"208973"	248.889742666667	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+3H"	3.021828
"650719"	372.830976	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+3H"	3.021828
"1171031"	124.948509333333	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+3H"	3.021828
"430656"	761.681223	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+NH4"	18.033823
"789465"	1133.504923	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+NH4"	18.033823
"1687254"	389.857523	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+NH4"	18.033823
"333711"	381.3442495	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+H+NH4"	19.041099
"727227"	567.2560995	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+H+NH4"	19.041099
"1486150"	195.4323995	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H+NH4"	19.041099
"398269"	766.636618	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+Na"	22.989218
"762546"	1138.460318	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+Na"	22.989218
"1615019"	394.812918	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Na"	22.989218
"327244"	383.821947	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+H+Na"	23.996494
"715291"	569.733797	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+H+Na"	23.996494
"1465832"	197.910097	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H+Na"	23.996494
"1056890"	132.275823333333	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2H+Na"	25.00377
"1260754"	404.857186	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+CH3OH+H"	33.033486
"382612"	782.610558	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+K"	38.963158
"740330"	1154.434258	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+K"	38.963158
"1544569"	410.786858	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+K"	38.963158
"303930"	391.808917	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+H+K"	39.970434
"697455"	577.720767	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+H+K"	39.970434
"1457474"	205.897067	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H+K"	39.970434
"251353"	785.681226	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+ACN+H"	42.033826
"1223161"	413.857526	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+ACN+H"	42.033826
"1206315"	207.432401	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+ACN+2H"	43.041102
"202470"	788.61856	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+2Na-H"	44.97116
"643372"	1160.44226	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+2Na-H"	44.97116
"1145295"	416.79486	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2Na-H"	44.97116
"187250"	394.812918	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+2Na"	45.978436
"622920"	580.724768	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+2Na"	45.978436
"1129342"	208.901068	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2Na"	45.978436
"1412136"	139.603137333333	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H+2Na"	46.985712
"1443883"	418.836446	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H+HCOOH"	47.012746
"223741"	399.84594	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+3H2O+2H"	56.04448
"1518004"	432.88849	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+H"	61.06479
"419880"	402.799888	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+Na+K"	61.952376
"777958"	588.711738	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+Na+K"	61.952376
"1676843"	216.888038	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Na+K"	61.952376
"264095"	807.663168	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+ACN+Na"	64.015768
"1241217"	435.839468	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+ACN+Na"	64.015768
"1728177"	435.862993	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+NH4+HCOOH"	64.039293
"1194019"	146.930451333333	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+3Na"	68.967654
"1665366"	440.818388	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Na+HCOOH"	68.994688
"171454"	820.56644	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+2K-H"	76.91904
"612562"	1192.39014	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+2K-H"	76.91904
"1099708"	448.74274	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2K-H"	76.91904
"157000"	410.786858	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"2M+2K"	77.926316
"594082"	596.698708	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"3M+2K"	77.926316
"1082237"	224.875008	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2K"	77.926316
"1111804"	450.757292	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2K+H"	78.933592
"1343816"	450.844907	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+DMSO+H"	79.021207
"1016721"	454.884076	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2ACN+H"	83.060376
"1527190"	455.877708	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+Na+H"	84.054008
"996918"	227.945676	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+2ACN+2H"	84.067652
"1596891"	456.792328	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+K+HCOOH"	84.968628
"1421456"	486.823838	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+H+CF3COOH"	115.000138
"1158305"	248.458951	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+3ACN+2H"	125.094202
"1710046"	503.850385	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+NH4+CF3COOH"	132.026685
"1646788"	508.80578	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+Na+CF3COOH"	136.98208
"1574785"	524.77972	"C18108"	"123789-Hexachlorodibenzofuran;123789-HxCDF;PCDF 124"	"C12H2Cl6O"	"371.8237"	"M+K+CF3COOH"	152.95602
"805149"	371.8237	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M"	0
"985243"	352.80531	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-H2O-H"	-19.01839
"76766"	246.875190666667	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M-3H"	-3.021828
"511952"	370.816424	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M-3H"	-3.021828
"886480"	122.933957333333	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-3H"	-3.021828
"7245"	370.816424	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M-2H"	-2.014552
"444619"	556.728274	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M-2H"	-2.014552
"832384"	184.904574	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-2H"	-2.014552
"92859"	742.640124	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M-H"	-1.007276
"532785"	1114.463824	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M-H"	-1.007276
"905240"	370.816424	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-H"	-1.007276
"55244"	759.666671	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M-2H+NH4"	16.019271
"498082"	1131.490371	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M-2H+NH4"	16.019271
"873696"	387.842971	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-2H+NH4"	16.019271
"40503"	764.622066	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M-2H+Na"	20.974666
"483350"	1136.445766	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M-2H+Na"	20.974666
"861148"	392.798366	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-2H+Na"	20.974666
"1630318"	392.798366	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Na-2H"	20.974666
"105026"	388.804763	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M-H+Cl"	33.962126
"548114"	574.716613	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M-H+Cl"	33.962126
"941017"	202.892913	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-H+Cl"	33.962126
"281037"	778.616802	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+Cl"	34.969402
"669081"	1150.440502	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+Cl"	34.969402
"1285859"	406.793102	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Cl"	34.969402
"26229"	780.596006	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M-2H+K"	36.948606
"465791"	1152.419706	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M-2H+K"	36.948606
"842499"	408.772306	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-2H+K"	36.948606
"1565987"	408.772306	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+K-2H"	36.948606
"947308"	416.821894	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-H+HCOOH"	44.998194
"372085"	788.645601	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+HCOOH-H"	44.998201
"355968"	802.661251	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+Hac-H"	59.013851
"1500434"	430.837551	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Hac-H"	59.013851
"963600"	438.803851	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-H+NaCOOH"	66.980151
"116885"	406.793102	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+2Cl"	69.938804
"557539"	592.704952	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+2Cl"	69.938804
"1026338"	220.881252	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2Cl"	69.938804
"1247008"	450.742585	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Br"	78.918885
"1314923"	452.798572	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Cl+HCOOH"	80.974872
"1331326"	474.780529	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Cl+NaCOOH"	102.956829
"919101"	484.809286	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M-H+CF3COOH"	112.985586
"1296903"	520.785964	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Cl+CF3COOH"	148.962264
"1369597"	336.811024	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H-2H2O"	-35.012676
"1387093"	354.821	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H-H2O"	-17.0027
"283499"	744.654676	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+H"	1.007276
"683578"	1116.478376	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+H"	1.007276
"1361022"	372.830976	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H"	1.007276
"129172"	372.830976	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+2H"	2.014552
"580036"	558.742826	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+2H"	2.014552
"1046648"	186.919126	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2H"	2.014552
"212363"	248.889742666667	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+3H"	3.021828
"654109"	372.830976	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+3H"	3.021828
"1172234"	124.948509333333	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+3H"	3.021828
"430766"	761.681223	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+NH4"	18.033823
"788846"	1133.504923	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+NH4"	18.033823
"1686271"	389.857523	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+NH4"	18.033823
"334916"	381.3442495	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+H+NH4"	19.041099
"727701"	567.2560995	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+H+NH4"	19.041099
"1482980"	195.4323995	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H+NH4"	19.041099
"398379"	766.636618	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+Na"	22.989218
"762654"	1138.460318	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+Na"	22.989218
"1615129"	394.812918	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Na"	22.989218
"328447"	383.821947	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+H+Na"	23.996494
"715400"	569.733797	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+H+Na"	23.996494
"1468127"	197.910097	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H+Na"	23.996494
"1058091"	132.275823333333	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2H+Na"	25.00377
"1261227"	404.857186	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+CH3OH+H"	33.033486
"379801"	782.610558	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+K"	38.963158
"743719"	1154.434258	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+K"	38.963158
"1544679"	410.786858	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+K"	38.963158
"302947"	391.808917	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+H+K"	39.970434
"697565"	577.720767	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+H+K"	39.970434
"1455761"	205.897067	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H+K"	39.970434
"250809"	785.681226	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+ACN+H"	42.033826
"1224246"	413.857526	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+ACN+H"	42.033826
"1206425"	207.432401	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+ACN+2H"	43.041102
"202581"	788.61856	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+2Na-H"	44.97116
"643806"	1160.44226	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+2Na-H"	44.97116
"1145529"	416.79486	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2Na-H"	44.97116
"185900"	394.812918	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+2Na"	45.978436
"624123"	580.724768	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+2Na"	45.978436
"1128603"	208.901068	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2Na"	45.978436
"1413097"	139.603137333333	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H+2Na"	46.985712
"1442171"	418.836446	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H+HCOOH"	47.012746
"224216"	399.84594	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+3H2O+2H"	56.04448
"1511185"	432.88849	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+H"	61.06479
"418168"	402.799888	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+Na+K"	61.952376
"775153"	588.711738	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+Na+K"	61.952376
"1676589"	216.888038	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Na+K"	61.952376
"263841"	807.663168	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+ACN+Na"	64.015768
"1239473"	435.839468	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+ACN+Na"	64.015768
"1726536"	435.862993	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+NH4+HCOOH"	64.039293
"1193594"	146.930451333333	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+3Na"	68.967654
"1664823"	440.818388	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Na+HCOOH"	68.994688
"172621"	820.56644	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+2K-H"	76.91904
"612671"	1192.39014	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+2K-H"	76.91904
"1099400"	448.74274	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2K-H"	76.91904
"155486"	410.786858	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"2M+2K"	77.926316
"595408"	596.698708	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"3M+2K"	77.926316
"1079795"	224.875008	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2K"	77.926316
"1110820"	450.757292	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2K+H"	78.933592
"1342832"	450.844907	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+DMSO+H"	79.021207
"1017924"	454.884076	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2ACN+H"	83.060376
"1527300"	455.877708	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+Na+H"	84.054008
"997028"	227.945676	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+2ACN+2H"	84.067652
"1598094"	456.792328	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+K+HCOOH"	84.968628
"1421566"	486.823838	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+H+CF3COOH"	115.000138
"1158415"	248.458951	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+3ACN+2H"	125.094202
"1710156"	503.850385	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+NH4+CF3COOH"	132.026685
"1646898"	508.80578	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+Na+CF3COOH"	136.98208
"1574895"	524.77972	"C18109"	"123678-Hexachlorodibenzofuran;123678-HxCDF;PCDF 121"	"C12H2Cl6O"	"371.8237"	"M+K+CF3COOH"	152.95602
"805259"	371.8237	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M"	0
"983167"	352.80531	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-H2O-H"	-19.01839
"75783"	246.875190666667	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M-3H"	-3.021828
"514978"	370.816424	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M-3H"	-3.021828
"886590"	122.933957333333	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-3H"	-3.021828
"8449"	370.816424	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M-2H"	-2.014552
"450196"	556.728274	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M-2H"	-2.014552
"832495"	184.904574	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-2H"	-2.014552
"93332"	742.640124	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M-H"	-1.007276
"533750"	1114.463824	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M-H"	-1.007276
"903164"	370.816424	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-H"	-1.007276
"54260"	759.666671	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M-2H+NH4"	16.019271
"496006"	1131.490371	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M-2H+NH4"	16.019271
"879152"	387.842971	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-2H+NH4"	16.019271
"41706"	764.622066	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M-2H+Na"	20.974666
"484189"	1136.445766	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M-2H+Na"	20.974666
"861259"	392.798366	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-2H+Na"	20.974666
"1632494"	392.798366	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Na-2H"	20.974666
"106959"	388.804763	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M-H+Cl"	33.962126
"547976"	574.716613	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M-H+Cl"	33.962126
"939304"	202.892913	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-H+Cl"	33.962126
"280051"	778.616802	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+Cl"	34.969402
"669190"	1150.440502	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+Cl"	34.969402
"1282688"	406.793102	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Cl"	34.969402
"26339"	780.596006	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M-2H+K"	36.948606
"464808"	1152.419706	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M-2H+K"	36.948606
"841516"	408.772306	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-2H+K"	36.948606
"1565004"	408.772306	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+K-2H"	36.948606
"947418"	416.821894	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-H+HCOOH"	44.998194
"370008"	788.645601	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+HCOOH-H"	44.998201
"353892"	802.661251	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+Hac-H"	59.013851
"1500544"	430.837551	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Hac-H"	59.013851
"962617"	438.803851	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-H+NaCOOH"	66.980151
"116995"	406.793102	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+2Cl"	69.938804
"559836"	592.704952	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+2Cl"	69.938804
"1026448"	220.881252	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2Cl"	69.938804
"1250398"	450.742585	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Br"	78.918885
"1315033"	452.798572	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Cl+HCOOH"	80.974872
"1330343"	474.780529	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Cl+NaCOOH"	102.956829
"921398"	484.809286	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M-H+CF3COOH"	112.985586
"1297013"	520.785964	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Cl+CF3COOH"	148.962264
"1369707"	336.811024	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H-2H2O"	-35.012676
"1382866"	354.821	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H-H2O"	-17.0027
"282887"	744.654676	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+H"	1.007276
"681502"	1116.478376	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+H"	1.007276
"1363319"	372.830976	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H"	1.007276
"134021"	372.830976	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+2H"	2.014552
"580146"	558.742826	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+2H"	2.014552
"1050041"	186.919126	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2H"	2.014552
"215753"	248.889742666667	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+3H"	3.021828
"654219"	372.830976	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+3H"	3.021828
"1171251"	124.948509333333	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+3H"	3.021828
"430876"	761.681223	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+NH4"	18.033823
"787862"	1133.504923	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+NH4"	18.033823
"1685288"	389.857523	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+NH4"	18.033823
"332473"	381.3442495	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+H+NH4"	19.041099
"727811"	567.2560995	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+H+NH4"	19.041099
"1479443"	195.4323995	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H+NH4"	19.041099
"401769"	766.636618	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+Na"	22.989218
"762765"	1138.460318	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+Na"	22.989218
"1616333"	394.812918	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Na"	22.989218
"328557"	383.821947	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+H+Na"	23.996494
"714418"	569.733797	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+H+Na"	23.996494
"1464956"	197.910097	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H+Na"	23.996494
"1057109"	132.275823333333	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2H+Na"	25.00377
"1259149"	404.857186	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+CH3OH+H"	33.033486
"379911"	782.610558	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+K"	38.963158
"742727"	1154.434258	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+K"	38.963158
"1541865"	410.786858	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+K"	38.963158
"303057"	391.808917	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+H+K"	39.970434
"697675"	577.720767	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+H+K"	39.970434
"1455869"	205.897067	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H+K"	39.970434
"250676"	785.681226	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+ACN+H"	42.033826
"1223626"	413.857526	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+ACN+H"	42.033826
"1206535"	207.432401	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+ACN+2H"	43.041102
"203421"	788.61856	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+2Na-H"	44.97116
"643224"	1160.44226	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+2Na-H"	44.97116
"1145398"	416.79486	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2Na-H"	44.97116
"186738"	394.812918	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+2Na"	45.978436
"623139"	580.724768	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+2Na"	45.978436
"1129563"	208.901068	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2Na"	45.978436
"1412598"	139.603137333333	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H+2Na"	46.985712
"1441188"	418.836446	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H+HCOOH"	47.012746
"223230"	399.84594	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+3H2O+2H"	56.04448
"1512751"	432.88849	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+H"	61.06479
"417548"	402.799888	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+Na+K"	61.952376
"773076"	588.711738	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+Na+K"	61.952376
"1677063"	216.888038	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Na+K"	61.952376
"263950"	807.663168	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+ACN+Na"	64.015768
"1238489"	435.839468	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+ACN+Na"	64.015768
"1726038"	435.862993	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+NH4+HCOOH"	64.039293
"1192245"	146.930451333333	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+3Na"	68.967654
"1665343"	440.818388	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Na+HCOOH"	68.994688
"171795"	820.56644	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+2K-H"	76.91904
"612656"	1192.39014	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+2K-H"	76.91904
"1098416"	448.74274	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2K-H"	76.91904
"155717"	410.786858	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"2M+2K"	77.926316
"594301"	596.698708	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"3M+2K"	77.926316
"1079905"	224.875008	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2K"	77.926316
"1112023"	450.757292	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2K+H"	78.933592
"1342942"	450.844907	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+DMSO+H"	79.021207
"1019978"	454.884076	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2ACN+H"	83.060376
"1527410"	455.877708	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+IsoProp+Na+H"	84.054008
"999325"	227.945676	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+2ACN+2H"	84.067652
"1599297"	456.792328	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+K+HCOOH"	84.968628
"1421676"	486.823838	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+H+CF3COOH"	115.000138
"1158525"	248.458951	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+3ACN+2H"	125.094202
"1710266"	503.850385	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+NH4+CF3COOH"	132.026685
"1649196"	508.80578	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+Na+CF3COOH"	136.98208
"1575005"	524.77972	"C18110"	"234678-Hexachlorodibenzofuran;234678-HxCDF;PCDF 130"	"C12H2Cl6O"	"371.8237"	"M+K+CF3COOH"	152.95602
"808649"	405.7847	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M"	0
"983277"	386.76631	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-H2O-H"	-19.01839
"75893"	269.515857333333	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M-3H"	-3.021828
"515452"	404.777424	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M-3H"	-3.021828
"894355"	134.254290666667	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-3H"	-3.021828
"10745"	404.777424	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M-2H"	-2.014552
"454804"	607.669774	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M-2H"	-2.014552
"825919"	201.885074	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-2H"	-2.014552
"94138"	810.562124	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M-H"	-1.007276
"527659"	1216.346824	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M-H"	-1.007276
"904368"	404.777424	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-H"	-1.007276
"54370"	827.588671	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M-2H+NH4"	16.019271
"496116"	1233.373371	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M-2H+NH4"	16.019271
"876105"	421.803971	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-2H+NH4"	16.019271
"44007"	832.544066	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M-2H+Na"	20.974666
"484297"	1238.328766	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M-2H+Na"	20.974666
"859184"	426.759366	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-2H+Na"	20.974666
"1631635"	426.759366	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Na-2H"	20.974666
"105251"	422.765763	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M-H+Cl"	33.962126
"546997"	625.658113	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M-H+Cl"	33.962126
"940146"	219.873413	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-H+Cl"	33.962126
"279065"	846.538802	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+Cl"	34.969402
"666023"	1252.323502	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+Cl"	34.969402
"1284626"	440.754102	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Cl"	34.969402
"26452"	848.518006	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M-2H+K"	36.948606
"464921"	1254.302706	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M-2H+K"	36.948606
"844908"	442.733306	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-2H+K"	36.948606
"1564020"	442.733306	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+K-2H"	36.948606
"949715"	450.782894	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-H+HCOOH"	44.998194
"370118"	856.567601	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+HCOOH-H"	44.998201
"352908"	870.583251	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+Hac-H"	59.013851
"1497373"	464.798551	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Hac-H"	59.013851
"967102"	472.764851	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-H+NaCOOH"	66.980151
"123666"	440.754102	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+2Cl"	69.938804
"559947"	643.646452	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+2Cl"	69.938804
"1029838"	237.861752	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2Cl"	69.938804
"1252694"	484.703585	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Br"	78.918885
"1314050"	486.759572	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Cl+HCOOH"	80.974872
"1331546"	508.741529	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Cl+NaCOOH"	102.956829
"924792"	518.770286	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M-H+CF3COOH"	112.985586
"1296031"	554.746964	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Cl+CF3COOH"	148.962264
"1370911"	370.772024	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H-2H2O"	-35.012676
"1387314"	388.782	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H-H2O"	-17.0027
"283229"	812.576676	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+H"	1.007276
"687810"	1218.361376	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+H"	1.007276
"1359054"	406.791976	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H"	1.007276
"139603"	406.791976	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+2H"	2.014552
"578070"	609.684326	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+2H"	2.014552
"1050877"	203.899626	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2H"	2.014552
"217321"	271.530409333333	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+3H"	3.021828
"655422"	406.791976	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+3H"	3.021828
"1171723"	136.268842666667	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+3H"	3.021828
"430985"	829.603223	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+NH4"	18.033823
"792710"	1235.387923	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+NH4"	18.033823
"1685397"	423.818523	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+NH4"	18.033823
"333674"	415.3052495	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+H+NH4"	19.041099
"729377"	618.1975995	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+H+NH4"	19.041099
"1480280"	212.4128995	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H+NH4"	19.041099
"395316"	834.558618	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+Na"	22.989218
"755943"	1240.343318	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+Na"	22.989218
"1608787"	428.773918	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Na"	22.989218
"315785"	417.782947	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+H+Na"	23.996494
"707841"	620.675297	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+H+Na"	23.996494
"1462144"	214.890597	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H+Na"	23.996494
"1053445"	143.596156666667	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2H+Na"	25.00377
"1257798"	438.818186	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+CH3OH+H"	33.033486
"380746"	850.532558	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+K"	38.963158
"740649"	1256.317258	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+K"	38.963158
"1541606"	444.747858	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+K"	38.963158
"303166"	425.769917	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+H+K"	39.970434
"701065"	628.662267	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+H+K"	39.970434
"1454886"	222.877567	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H+K"	39.970434
"251234"	853.603226	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+ACN+H"	42.033826
"1223855"	447.818526	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+ACN+H"	42.033826
"1202270"	224.412901	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+ACN+2H"	43.041102
"197332"	856.54056	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+2Na-H"	44.97116
"643211"	1262.32526	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+2Na-H"	44.97116
"1145501"	450.75586	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2Na-H"	44.97116
"186968"	428.773918	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+2Na"	45.978436
"621063"	631.666268	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+2Na"	45.978436
"1129308"	225.881568	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2Na"	45.978436
"1411371"	150.923470666667	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H+2Na"	46.985712
"1439110"	452.797446	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H+HCOOH"	47.012746
"221519"	433.80694	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+3H2O+2H"	56.04448
"1513589"	466.84949	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+IsoProp+H"	61.06479
"418751"	436.760888	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+Na+K"	61.952376
"774279"	639.653238	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+Na+K"	61.952376
"1679000"	233.868538	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Na+K"	61.952376
"265884"	875.585168	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+ACN+Na"	64.015768
"1237503"	469.800468	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+ACN+Na"	64.015768
"1726024"	469.823993	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+NH4+HCOOH"	64.039293
"1193448"	158.250784666667	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+3Na"	68.967654
"1664674"	474.779388	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Na+HCOOH"	68.994688
"169590"	888.48844	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+2K-H"	76.91904
"605870"	1294.27314	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+2K-H"	76.91904
"1094756"	482.70374	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2K-H"	76.91904
"154852"	444.747858	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"2M+2K"	77.926316
"591130"	647.640208	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"3M+2K"	77.926316
"1076734"	241.855508	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2K"	77.926316
"1112131"	484.718292	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2K+H"	78.933592
"1346331"	484.805907	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+DMSO+H"	79.021207
"1018144"	488.845076	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2ACN+H"	83.060376
"1538824"	489.838708	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+IsoProp+Na+H"	84.054008
"1002718"	244.926176	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+2ACN+2H"	84.067652
"1600500"	490.753328	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+K+HCOOH"	84.968628
"1421786"	520.784838	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+H+CF3COOH"	115.000138
"1158635"	265.439451	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+3ACN+2H"	125.094202
"1710376"	537.811385	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+NH4+CF3COOH"	132.026685
"1649306"	542.76678	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+Na+CF3COOH"	136.98208
"1575115"	558.74072	"C18111"	"1234678-Heptachlorodibenzofuran;1234678-HpCDF;PCDF 131"	"C12HCl7O"	"405.7847"	"M+K+CF3COOH"	152.95602
"805479"	405.7847	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M"	0
"979011"	386.76631	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-H2O-H"	-19.01839
"73816"	269.515857333333	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M-3H"	-3.021828
"509001"	404.777424	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M-3H"	-3.021828
"883524"	134.254290666667	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-3H"	-3.021828
"14136"	404.777424	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M-2H"	-2.014552
"454429"	607.669774	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M-2H"	-2.014552
"829309"	201.885074	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-2H"	-2.014552
"93681"	810.562124	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M-H"	-1.007276
"529956"	1216.346824	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M-H"	-1.007276
"905572"	404.777424	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-H"	-1.007276
"53387"	827.588671	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M-2H+NH4"	16.019271
"492946"	1233.373371	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M-2H+NH4"	16.019271
"876215"	421.803971	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-2H+NH4"	16.019271
"45209"	832.544066	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M-2H+Na"	20.974666
"485864"	1238.328766	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M-2H+Na"	20.974666
"861480"	426.759366	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-2H+Na"	20.974666
"1633200"	426.759366	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Na-2H"	20.974666
"104268"	422.765763	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M-H+Cl"	33.962126
"547108"	625.658113	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M-H+Cl"	33.962126
"939525"	219.873413	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-H+Cl"	33.962126
"278081"	846.538802	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+Cl"	34.969402
"672329"	1252.323502	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+Cl"	34.969402
"1278538"	440.754102	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Cl"	34.969402
"26560"	848.518006	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M-2H+K"	36.948606
"466124"	1254.302706	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M-2H+K"	36.948606
"845018"	442.733306	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-2H+K"	36.948606
"1558663"	442.733306	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+K-2H"	36.948606
"947638"	450.782894	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-H+HCOOH"	44.998194
"369134"	856.567601	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+HCOOH-H"	44.998201
"351924"	870.583251	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+Hac-H"	59.013851
"1501857"	464.798551	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Hac-H"	59.013851
"968305"	472.764851	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-H+NaCOOH"	66.980151
"120496"	440.754102	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+2Cl"	69.938804
"563337"	643.646452	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+2Cl"	69.938804
"1033229"	237.861752	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2Cl"	69.938804
"1250618"	484.703585	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Br"	78.918885
"1311973"	486.759572	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Cl+HCOOH"	80.974872
"1332749"	508.741529	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Cl+NaCOOH"	102.956829
"923808"	518.770286	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M-H+CF3COOH"	112.985586
"1295047"	554.746964	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Cl+CF3COOH"	148.962264
"1371385"	370.772024	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H-2H2O"	-35.012676
"1387424"	388.782	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H-H2O"	-17.0027
"283827"	812.576676	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+H"	1.007276
"676613"	1218.361376	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+H"	1.007276
"1358070"	406.791976	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H"	1.007276
"139349"	406.791976	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+2H"	2.014552
"577816"	609.684326	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+2H"	2.014552
"1051353"	203.899626	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2H"	2.014552
"214879"	271.530409333333	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+3H"	3.021828
"655531"	406.791976	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+3H"	3.021828
"1172562"	136.268842666667	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+3H"	3.021828
"428908"	829.603223	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+NH4"	18.033823
"789540"	1235.387923	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+NH4"	18.033823
"1684778"	423.818523	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+NH4"	18.033823
"332690"	415.3052495	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+H+NH4"	19.041099
"725478"	618.1975995	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+H+NH4"	19.041099
"1479297"	212.4128995	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H+NH4"	19.041099
"394333"	834.558618	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+Na"	22.989218
"755694"	1240.343318	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+Na"	22.989218
"1605617"	428.773918	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Na"	22.989218
"316746"	417.782947	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+H+Na"	23.996494
"708074"	620.675297	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+H+Na"	23.996494
"1463347"	214.890597	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H+Na"	23.996494
"1054404"	143.596156666667	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2H+Na"	25.00377
"1257907"	438.818186	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+CH3OH+H"	33.033486
"379036"	850.532558	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+K"	38.963158
"741124"	1256.317258	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+K"	38.963158
"1540338"	444.747858	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+K"	38.963158
"303276"	425.769917	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+H+K"	39.970434
"704456"	628.662267	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+H+K"	39.970434
"1457182"	222.877567	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H+K"	39.970434
"251014"	853.603226	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+ACN+H"	42.033826
"1223965"	447.818526	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+ACN+H"	42.033826
"1203473"	224.412901	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+ACN+2H"	43.041102
"197443"	856.54056	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+2Na-H"	44.97116
"641377"	1262.32526	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+2Na-H"	44.97116
"1146666"	450.75586	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2Na-H"	44.97116
"188050"	428.773918	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+2Na"	45.978436
"624089"	631.666268	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+2Na"	45.978436
"1128689"	225.881568	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2Na"	45.978436
"1412940"	150.923470666667	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H+2Na"	46.985712
"1440313"	452.797446	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H+HCOOH"	47.012746
"225637"	433.80694	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+3H2O+2H"	56.04448
"1516980"	466.84949	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+IsoProp+H"	61.06479
"419954"	436.760888	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+Na+K"	61.952376
"775482"	639.653238	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+Na+K"	61.952376
"1676193"	233.868538	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Na+K"	61.952376
"265265"	875.585168	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+ACN+Na"	64.015768
"1236518"	469.800468	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+ACN+Na"	64.015768
"1719937"	469.823993	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+NH4+HCOOH"	64.039293
"1191125"	158.250784666667	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+3Na"	68.967654
"1661745"	474.779388	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Na+HCOOH"	68.994688
"170792"	888.48844	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+2K-H"	76.91904
"609260"	1294.27314	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+2K-H"	76.91904
"1097053"	482.70374	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2K-H"	76.91904
"155692"	444.747858	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"2M+2K"	77.926316
"594521"	647.640208	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"3M+2K"	77.926316
"1076844"	241.855508	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2K"	77.926316
"1111148"	484.718292	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2K+H"	78.933592
"1346441"	484.805907	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+DMSO+H"	79.021207
"1019347"	488.845076	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2ACN+H"	83.060376
"1539382"	489.838708	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+IsoProp+Na+H"	84.054008
"1002828"	244.926176	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+2ACN+2H"	84.067652
"1600610"	490.753328	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+K+HCOOH"	84.968628
"1421896"	520.784838	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+H+CF3COOH"	115.000138
"1158745"	265.439451	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+3ACN+2H"	125.094202
"1711579"	537.811385	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+NH4+CF3COOH"	132.026685
"1649416"	542.76678	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+Na+CF3COOH"	136.98208
"1575225"	558.74072	"C18112"	"1234789-Heptachlorodibenzofuran;1234789-HpCDF;PCDF 134"	"C12HCl7O"	"405.7847"	"M+K+CF3COOH"	152.95602
"808869"	439.7457	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M"	0
"979121"	420.72731	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-H2O-H"	-19.01839
"75019"	292.156524	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M-3H"	-3.021828
"509111"	438.738424	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M-3H"	-3.021828
"883634"	145.574624	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-3H"	-3.021828
"5492"	438.738424	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M-2H"	-2.014552
"455225"	658.611274	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M-2H"	-2.014552
"827234"	218.865574	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-2H"	-2.014552
"94114"	878.484124	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M-H"	-1.007276
"530066"	1318.229824	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M-H"	-1.007276
"905682"	438.738424	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-H"	-1.007276
"55685"	895.510671	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M-2H+NH4"	16.019271
"496338"	1335.256371	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M-2H+NH4"	16.019271
"877419"	455.764971	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-2H+NH4"	16.019271
"44226"	900.466066	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M-2H+Na"	20.974666
"483421"	1340.211766	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M-2H+Na"	20.974666
"860497"	460.720366	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-2H+Na"	20.974666
"1631124"	460.720366	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Na-2H"	20.974666
"108630"	456.726763	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M-H+Cl"	33.962126
"545031"	676.599613	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M-H+Cl"	33.962126
"937449"	236.853913	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-H+Cl"	33.962126
"273817"	914.460802	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+Cl"	34.969402
"672802"	1354.206502	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+Cl"	34.969402
"1281928"	474.715102	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Cl"	34.969402
"26670"	916.440006	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M-2H+K"	36.948606
"467692"	1356.185706	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M-2H+K"	36.948606
"845127"	476.694306	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-2H+K"	36.948606
"1558773"	476.694306	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+K-2H"	36.948606
"947748"	484.743894	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-H+HCOOH"	44.998194
"369244"	924.489601	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+HCOOH-H"	44.998201
"348752"	938.505251	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+Hac-H"	59.013851
"1501967"	498.759551	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Hac-H"	59.013851
"968780"	506.725851	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-H+NaCOOH"	66.980151
"120606"	474.715102	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+2Cl"	69.938804
"561260"	694.587952	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+2Cl"	69.938804
"1031152"	254.842252	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2Cl"	69.938804
"1252915"	518.664585	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Br"	78.918885
"1309896"	520.720572	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Cl+HCOOH"	80.974872
"1330673"	542.702529	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Cl+NaCOOH"	102.956829
"923918"	552.731286	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M-H+CF3COOH"	112.985586
"1297344"	588.707964	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Cl+CF3COOH"	148.962264
"1371131"	404.733024	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H-2H2O"	-35.012676
"1384254"	422.743	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H-H2O"	-17.0027
"283328"	880.498676	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+H"	1.007276
"675696"	1320.244376	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+H"	1.007276
"1354900"	440.752976	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H"	1.007276
"139824"	440.752976	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+2H"	2.014552
"579382"	660.625826	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+2H"	2.014552
"1051099"	220.880126	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2H"	2.014552
"214989"	294.171076	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+3H"	3.021828
"654548"	440.752976	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+3H"	3.021828
"1171579"	147.589176	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+3H"	3.021828
"428654"	897.525223	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+NH4"	18.033823
"789650"	1337.270923	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+NH4"	18.033823
"1684524"	457.779523	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+NH4"	18.033823
"332800"	449.2662495	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+H+NH4"	19.041099
"724494"	669.1390995	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+H+NH4"	19.041099
"1478314"	229.3933995	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H+NH4"	19.041099
"394441"	902.480618	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+Na"	22.989218
"755804"	1342.226318	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+Na"	22.989218
"1606820"	462.734918	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Na"	22.989218
"319045"	451.743947	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+H+Na"	23.996494
"708185"	671.616797	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+H+Na"	23.996494
"1464194"	231.871097	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H+Na"	23.996494
"1053223"	154.91649	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2H+Na"	25.00377
"1258019"	472.779186	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+CH3OH+H"	33.033486
"380240"	918.454558	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+K"	38.963158
"744150"	1358.200258	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+K"	38.963158
"1544017"	478.708858	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+K"	38.963158
"299740"	459.730917	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+H+K"	39.970434
"701284"	679.603767	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+H+K"	39.970434
"1456198"	239.858067	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H+K"	39.970434
"246985"	921.525226	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+ACN+H"	42.033826
"1221888"	481.779526	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+ACN+H"	42.033826
"1206863"	241.393401	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+ACN+2H"	43.041102
"196455"	924.46256	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+2Na-H"	44.97116
"638202"	1364.20826	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+2Na-H"	44.97116
"1143897"	484.71686	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2Na-H"	44.97116
"185001"	462.734918	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+2Na"	45.978436
"624564"	682.607768	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+2Na"	45.978436
"1127704"	242.862068	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2Na"	45.978436
"1412321"	162.243804	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H+2Na"	46.985712
"1441518"	486.758446	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H+HCOOH"	47.012746
"225747"	467.76794	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+3H2O+2H"	56.04448
"1514904"	500.81049	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+IsoProp+H"	61.06479
"418972"	470.721888	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+Na+K"	61.952376
"783979"	690.594738	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+Na+K"	61.952376
"1679218"	250.849038	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Na+K"	61.952376
"265375"	943.507168	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+ACN+Na"	64.015768
"1237722"	503.761468	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+ACN+Na"	64.015768
"1726610"	503.784993	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+NH4+HCOOH"	64.039293
"1193427"	169.571118	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+3Na"	68.967654
"1661855"	508.740388	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Na+HCOOH"	68.994688
"170902"	956.41044	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+2K-H"	76.91904
"611073"	1396.15614	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+2K-H"	76.91904
"1091695"	516.66474	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2K-H"	76.91904
"153977"	478.708858	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"2M+2K"	77.926316
"593536"	698.581708	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"3M+2K"	77.926316
"1078048"	258.836008	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2K"	77.926316
"1103603"	518.679292	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2K+H"	78.933592
"1343272"	518.766907	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+DMSO+H"	79.021207
"1019336"	522.806076	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2ACN+H"	83.060376
"1539659"	523.799708	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+IsoProp+Na+H"	84.054008
"1002938"	261.906676	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+2ACN+2H"	84.067652
"1600720"	524.714328	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+K+HCOOH"	84.968628
"1427474"	554.745838	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+H+CF3COOH"	115.000138
"1161043"	282.419951	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+3ACN+2H"	125.094202
"1709504"	571.772385	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+NH4+CF3COOH"	132.026685
"1649161"	576.72778	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+Na+CF3COOH"	136.98208
"1575335"	592.70172	"C18113"	"12346789-Octachlorodibenzofuran;Octachlorodibenzofuran;OCDF;PCDF 135"	"C12Cl8O"	"439.7457"	"M+K+CF3COOH"	152.95602
"805699"	289.9224	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M"	0
"979231"	270.90401	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-H2O-H"	-19.01839
"71848"	192.274324	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M-3H"	-3.021828
"509222"	288.915124	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M-3H"	-3.021828
"883744"	95.633524	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-3H"	-3.021828
"5602"	288.915124	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M-2H"	-2.014552
"454645"	433.876324	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M-2H"	-2.014552
"826249"	143.953924	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-2H"	-2.014552
"90613"	578.837524	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M-H"	-1.007276
"531877"	868.759924	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M-H"	-1.007276
"910046"	288.915124	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-H"	-1.007276
"61503"	595.864071	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M-2H+NH4"	16.019271
"497540"	885.786471	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M-2H+NH4"	16.019271
"874249"	305.941671	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-2H+NH4"	16.019271
"45430"	600.819466	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M-2H+Na"	20.974666
"481709"	890.741866	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M-2H+Na"	20.974666
"859514"	310.897066	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-2H+Na"	20.974666
"1629048"	310.897066	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Na-2H"	20.974666
"106674"	306.903463	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M-H+Cl"	33.962126
"548300"	451.864663	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M-H+Cl"	33.962126
"937559"	161.942263	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-H+Cl"	33.962126
"273927"	614.814202	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+Cl"	34.969402
"672912"	904.736602	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+Cl"	34.969402
"1282038"	324.891802	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Cl"	34.969402
"25687"	616.793406	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M-2H+K"	36.948606
"466343"	906.715806	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M-2H+K"	36.948606
"840863"	326.871006	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-2H+K"	36.948606
"1558883"	326.871006	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+K-2H"	36.948606
"948953"	334.920594	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-H+HCOOH"	44.998194
"366073"	624.843001	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+HCOOH-H"	44.998201
"346429"	638.858651	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+Hac-H"	59.013851
"1502077"	348.936251	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Hac-H"	59.013851
"966338"	356.902551	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-H+NaCOOH"	66.980151
"120716"	324.891802	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+2Cl"	69.938804
"561370"	469.853002	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+2Cl"	69.938804
"1035272"	179.930602	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2Cl"	69.938804
"1253025"	368.841285	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Br"	78.918885
"1312193"	370.897272	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Cl+HCOOH"	80.974872
"1331876"	392.879229	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Cl+NaCOOH"	102.956829
"924758"	402.907986	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M-H+CF3COOH"	112.985586
"1297454"	438.884664	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Cl+CF3COOH"	148.962264
"1371241"	254.909724	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H-2H2O"	-35.012676
"1387644"	272.9197	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H-H2O"	-17.0027
"283562"	580.852076	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+H"	1.007276
"675818"	870.774476	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+H"	1.007276
"1355010"	290.929676	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H"	1.007276
"139570"	290.929676	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+2H"	2.014552
"579492"	435.890876	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+2H"	2.014552
"1049385"	145.968476	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2H"	2.014552
"219718"	194.288876	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+3H"	3.021828
"654658"	290.929676	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+3H"	3.021828
"1171689"	97.648076	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+3H"	3.021828
"430587"	597.878623	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+NH4"	18.033823
"791582"	887.801023	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+NH4"	18.033823
"1687913"	307.956223	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+NH4"	18.033823
"337285"	299.4429495	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+H+NH4"	19.041099
"729706"	444.4041495	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+H+NH4"	19.041099
"1481341"	154.4817495	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H+NH4"	19.041099
"398930"	602.834018	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+Na"	22.989218
"767948"	892.756418	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+Na"	22.989218
"1613493"	312.911618	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Na"	22.989218
"327542"	301.920647	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+H+Na"	23.996494
"715950"	446.881847	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+H+Na"	23.996494
"1464304"	156.959447	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H+Na"	23.996494
"1054998"	104.97539	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2H+Na"	25.00377
"1261414"	322.955886	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+CH3OH+H"	33.033486
"385453"	618.807958	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+K"	38.963158
"748634"	908.730358	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+K"	38.963158
"1548502"	328.885558	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+K"	38.963158
"299158"	309.907617	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+H+K"	39.970434
"700300"	454.868817	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+H+K"	39.970434
"1454849"	164.946417	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H+K"	39.970434
"243812"	621.878626	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+ACN+H"	42.033826
"1220533"	331.956226	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+ACN+H"	42.033826
"1203686"	166.481751	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+ACN+2H"	43.041102
"198751"	624.81596	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+2Na-H"	44.97116
"638312"	914.73836	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+2Na-H"	44.97116
"1143644"	334.89356	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2Na-H"	44.97116
"185479"	312.911618	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+2Na"	45.978436
"623945"	457.872818	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+2Na"	45.978436
"1127087"	167.950418	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2Na"	45.978436
"1409517"	112.302704	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H+2Na"	46.985712
"1437987"	336.935146	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H+HCOOH"	47.012746
"227682"	317.94464	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+3H2O+2H"	56.04448
"1516837"	350.98719	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+IsoProp+H"	61.06479
"420175"	320.898588	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+Na+K"	61.952376
"784453"	465.859788	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+Na+K"	61.952376
"1677504"	175.937388	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Na+K"	61.952376
"266214"	643.860568	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+ACN+Na"	64.015768
"1237831"	353.938168	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+ACN+Na"	64.015768
"1725626"	353.961693	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+NH4+HCOOH"	64.039293
"1189886"	119.630018	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+3Na"	68.967654
"1659778"	358.917088	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Na+HCOOH"	68.994688
"167732"	656.76384	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+2K-H"	76.91904
"606200"	946.68624	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+2K-H"	76.91904
"1091805"	366.84144	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2K-H"	76.91904
"149714"	328.885558	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"2M+2K"	77.926316
"590367"	473.846758	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"3M+2K"	77.926316
"1078160"	183.924358	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2K"	77.926316
"1103714"	368.855992	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2K+H"	78.933592
"1340101"	368.943607	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+DMSO+H"	79.021207
"1014099"	372.982776	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2ACN+H"	83.060376
"1539796"	373.976408	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+IsoProp+Na+H"	84.054008
"1004876"	186.995026	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+2ACN+2H"	84.067652
"1598644"	374.891028	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+K+HCOOH"	84.968628
"1427584"	404.922538	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+H+CF3COOH"	115.000138
"1161153"	207.508301	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+3ACN+2H"	125.094202
"1710708"	421.949085	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+NH4+CF3COOH"	132.026685
"1649272"	426.90448	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+Na+CF3COOH"	136.98208
"1585286"	442.87842	"C18114"	"3445-Tetrachlorobiphenyl;PCB 81"	"C12H6Cl4"	"289.9224"	"M+K+CF3COOH"	152.95602
"805809"	357.8444	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M"	0
"977153"	338.82601	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"70865"	237.555657333333	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"509332"	356.837124	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"887134"	118.274190666667	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"5712"	356.837124	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"454881"	535.759324	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"831831"	177.914924	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"89631"	714.681524	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"531016"	1072.525924	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"911214"	356.837124	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"61372"	731.708071	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"499837"	1089.552471	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"874360"	373.863671	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"45787"	736.663466	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"481819"	1094.507866	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"860719"	378.819066	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1631345"	378.819066	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"109701"	374.825463	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"548532"	553.747663	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"939856"	195.903263	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"274037"	750.658202	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"672901"	1108.502602	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1285065"	392.813802	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"25797"	752.637406	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"464264"	1110.481806	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"842066"	394.793006	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1562273"	394.793006	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"949063"	402.842594	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"366183"	760.687001	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"346174"	774.702651	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1502187"	416.858251	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"967542"	424.824551	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"124106"	392.813802	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"558200"	571.736002	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1033559"	213.891602	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1253135"	436.763285	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1311210"	438.819272	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1332352"	460.801229	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"924871"	470.829986	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1297564"	506.806664	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1372444"	322.831724	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1386661"	340.8417	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"284401"	716.696076	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"676333"	1074.540476	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1357307"	358.851676	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"140408"	358.851676	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"578875"	537.773876	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1051319"	179.929476	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"217397"	239.570209333333	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"653675"	358.851676	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1170707"	120.288742666667	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"431791"	733.722623	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"791693"	1091.567023	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1685839"	375.878223	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"337396"	367.3649495	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"732007"	546.2871495	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1488015"	188.4427495	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"407307"	738.678018	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"768058"	1096.522418	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1612509"	380.833618	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"328017"	369.842647	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"712781"	548.764847	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1466602"	190.920447	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1062034"	127.616056666667	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1262617"	390.877886	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"382285"	754.651958	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"747650"	1112.496358	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1547517"	396.807558	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"298739"	377.829617	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"701139"	556.751817	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1459335"	198.907417	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"243924"	757.722626	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1219915"	399.878226	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1204525"	200.442751	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"198865"	760.65996	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"643166"	1118.50436	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1144120"	402.81556	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"184129"	380.833618	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"624785"	559.755818	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1126468"	201.911418	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1410355"	134.943370666667	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1439918"	404.857146	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"230344"	385.86664	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1516947"	418.90919	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"422108"	388.820588	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"785172"	567.742788	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1678707"	209.898388	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"266689"	779.704568	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1235756"	421.860168	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1725736"	421.883693	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1187809"	142.270684666667	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1660982"	426.839088	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"170029"	792.60784	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"607403"	1150.45224	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1095195"	434.76344	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"156263"	396.807558	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"587197"	575.729758	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1074988"	217.885358	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1110386"	436.777992	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1338023"	436.865607	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1017489"	440.904776	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1539781"	441.898408	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"1005348"	220.956026	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1600942"	442.813028	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1428666"	472.844538	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1162235"	241.469301	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1709724"	489.871085	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1649382"	494.82648	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1585396"	510.80042	"C18115"	"345345-Hexachlorobiphenyl;PCB 169"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"805919"	323.8834	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M"	0
"976170"	304.86501	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-H2O-H"	-19.01839
"70975"	214.914990666667	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M-3H"	-3.021828
"504094"	322.876124	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M-3H"	-3.021828
"890524"	106.953857333333	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-3H"	-3.021828
"11290"	322.876124	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M-2H"	-2.014552
"454134"	484.817824	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M-2H"	-2.014552
"825376"	160.934424	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-2H"	-2.014552
"90833"	646.759524	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M-H"	-1.007276
"527115"	970.642924	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M-H"	-1.007276
"904918"	322.876124	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-H"	-1.007276
"57105"	663.786071	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M-2H+NH4"	16.019271
"497759"	987.669471	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M-2H+NH4"	16.019271
"873375"	339.902671	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-2H+NH4"	16.019271
"42368"	668.741466	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M-2H+Na"	20.974666
"484116"	992.624866	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M-2H+Na"	20.974666
"861921"	344.858066	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-2H+Na"	20.974666
"1629267"	344.858066	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Na-2H"	20.974666
"108595"	340.864463	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M-H+Cl"	33.962126
"548519"	502.806163	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M-H+Cl"	33.962126
"940938"	178.922763	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-H+Cl"	33.962126
"276334"	682.736202	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+Cl"	34.969402
"673132"	1006.619602	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+Cl"	34.969402
"1285540"	358.852802	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Cl"	34.969402
"28094"	684.715406	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M-2H+K"	36.948606
"464374"	1008.598806	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M-2H+K"	36.948606
"845457"	360.832006	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-2H+K"	36.948606
"1564570"	360.832006	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+K-2H"	36.948606
"952453"	368.881594	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-H+HCOOH"	44.998194
"364106"	692.765001	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+HCOOH-H"	44.998201
"350175"	706.780651	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+Hac-H"	59.013851
"1505577"	382.897251	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Hac-H"	59.013851
"972025"	390.863551	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-H+NaCOOH"	66.980151
"118750"	358.852802	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+2Cl"	69.938804
"555394"	520.794502	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+2Cl"	69.938804
"1029295"	196.911102	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2Cl"	69.938804
"1249966"	402.802285	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Br"	78.918885
"1311320"	404.858272	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Cl+HCOOH"	80.974872
"1331003"	426.840229	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Cl+NaCOOH"	102.956829
"924249"	436.868986	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M-H+CF3COOH"	112.985586
"1293301"	472.845664	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Cl+CF3COOH"	148.962264
"1372553"	288.870724	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H-2H2O"	-35.012676
"1387863"	306.8807	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H-H2O"	-17.0027
"283333"	648.774076	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+H"	1.007276
"676321"	972.657476	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+H"	1.007276
"1355594"	324.890676	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H"	1.007276
"139063"	324.890676	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+2H"	2.014552
"580079"	486.832376	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+2H"	2.014552
"1050334"	162.948976	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2H"	2.014552
"217505"	216.929542666667	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+3H"	3.021828
"651598"	324.890676	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+3H"	3.021828
"1173004"	108.968409333333	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+3H"	3.021828
"432995"	665.800623	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+NH4"	18.033823
"791804"	989.684023	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+NH4"	18.033823
"1687042"	341.917223	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+NH4"	18.033823
"338599"	333.4039495	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+H+NH4"	19.041099
"732117"	495.3456495	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+H+NH4"	19.041099
"1485938"	171.4622495	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H+NH4"	19.041099
"406805"	670.756018	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+Na"	22.989218
"769815"	994.639418	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+Na"	22.989218
"1615899"	346.872618	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Na"	22.989218
"328856"	335.881647	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+H+Na"	23.996494
"716171"	497.823347	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+H+Na"	23.996494
"1467805"	173.939947	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H+Na"	23.996494
"1062144"	116.295723333333	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2H+Na"	25.00377
"1267102"	356.916886	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+CH3OH+H"	33.033486
"382393"	686.729958	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+K"	38.963158
"743388"	1010.613358	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+K"	38.963158
"1544347"	362.846558	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+K"	38.963158
"300067"	343.868617	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+H+K"	39.970434
"703073"	505.810317	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+H+K"	39.970434
"1455433"	181.926917	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H+K"	39.970434
"242941"	689.800626	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+ACN+H"	42.033826
"1219660"	365.917226	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+ACN+H"	42.033826
"1205000"	183.462251	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+ACN+2H"	43.041102
"202865"	692.73796	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+2Na-H"	44.97116
"642911"	1016.62136	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+2Na-H"	44.97116
"1143132"	368.85456	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2Na-H"	44.97116
"187157"	346.872618	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+2Na"	45.978436
"627084"	508.814318	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+2Na"	45.978436
"1127673"	184.930918	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2Na"	45.978436
"1413261"	123.623037333333	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H+2Na"	46.985712
"1441122"	370.896146	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H+HCOOH"	47.012746
"234464"	351.90564	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+3H2O+2H"	56.04448
"1521432"	384.94819	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+IsoProp+H"	61.06479
"420395"	354.859588	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+Na+K"	61.952376
"782852"	516.801288	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+Na+K"	61.952376
"1675902"	192.917888	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Na+K"	61.952376
"266434"	711.782568	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+ACN+Na"	64.015768
"1233678"	387.899168	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+ACN+Na"	64.015768
"1723659"	387.922693	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+NH4+HCOOH"	64.039293
"1184639"	130.950351333333	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+3Na"	68.967654
"1658905"	392.878088	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Na+HCOOH"	68.994688
"163579"	724.68584	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+2K-H"	76.91904
"604232"	1048.56924	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+2K-H"	76.91904
"1092024"	400.80244	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2K-H"	76.91904
"147746"	362.846558	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"2M+2K"	77.926316
"590587"	524.788258	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"3M+2K"	77.926316
"1072911"	200.904858	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2K"	77.926316
"1110496"	402.816992	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2K+H"	78.933592
"1339227"	402.904607	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+DMSO+H"	79.021207
"1017599"	406.943776	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2ACN+H"	83.060376
"1539253"	407.937408	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+IsoProp+Na+H"	84.054008
"1005297"	203.975526	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+2ACN+2H"	84.067652
"1601903"	408.852028	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+K+HCOOH"	84.968628
"1427804"	438.883538	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+H+CF3COOH"	115.000138
"1162345"	224.488801	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+3ACN+2H"	125.094202
"1710927"	455.910085	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+NH4+CF3COOH"	132.026685
"1649128"	460.86548	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+Na+CF3COOH"	136.98208
"1585506"	476.83942	"C18116"	"23434-Pentachlorobiphenyl;PCB 105"	"C12H5Cl5"	"323.8834"	"M+K+CF3COOH"	152.95602
"806029"	323.8834	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M"	0
"975063"	304.86501	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-H2O-H"	-19.01839
"68898"	214.914990666667	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M-3H"	-3.021828
"502942"	322.876124	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M-3H"	-3.021828
"884074"	106.953857333333	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-3H"	-3.021828
"2287"	322.876124	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M-2H"	-2.014552
"452056"	484.817824	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M-2H"	-2.014552
"825486"	160.934424	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-2H"	-2.014552
"88756"	646.759524	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M-H"	-1.007276
"527226"	970.642924	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M-H"	-1.007276
"906121"	322.876124	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-H"	-1.007276
"57215"	663.786071	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M-2H+NH4"	16.019271
"496777"	987.669471	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M-2H+NH4"	16.019271
"872392"	339.902671	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-2H+NH4"	16.019271
"41387"	668.741466	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M-2H+Na"	20.974666
"480945"	992.624866	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M-2H+Na"	20.974666
"859845"	344.858066	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-2H+Na"	20.974666
"1629377"	344.858066	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Na-2H"	20.974666
"108827"	340.864463	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M-H+Cl"	33.962126
"548750"	502.806163	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M-H+Cl"	33.962126
"941169"	178.922763	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-H+Cl"	33.962126
"273164"	682.736202	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+Cl"	34.969402
"673242"	1006.619602	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+Cl"	34.969402
"1286379"	358.852802	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Cl"	34.969402
"28204"	684.715406	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M-2H+K"	36.948606
"461204"	1008.598806	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M-2H+K"	36.948606
"845567"	360.832006	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-2H+K"	36.948606
"1567960"	360.832006	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+K-2H"	36.948606
"951470"	368.881594	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-H+HCOOH"	44.998194
"364216"	692.765001	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+HCOOH-H"	44.998201
"351378"	706.780651	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+Hac-H"	59.013851
"1500220"	382.897251	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Hac-H"	59.013851
"972135"	390.863551	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-H+NaCOOH"	66.980151
"121046"	358.852802	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+2Cl"	69.938804
"558420"	520.794502	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+2Cl"	69.938804
"1031593"	196.911102	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2Cl"	69.938804
"1254815"	402.802285	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Br"	78.918885
"1313617"	404.858272	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Cl+HCOOH"	80.974872
"1330019"	426.840229	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Cl+NaCOOH"	102.956829
"923997"	436.868986	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M-H+CF3COOH"	112.985586
"1294505"	472.845664	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Cl+CF3COOH"	148.962264
"1372664"	288.870724	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H-2H2O"	-35.012676
"1386880"	306.8807	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H-H2O"	-17.0027
"284377"	648.774076	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+H"	1.007276
"677160"	972.657476	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+H"	1.007276
"1355340"	324.890676	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H"	1.007276
"139172"	324.890676	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+2H"	2.014552
"579097"	486.832376	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+2H"	2.014552
"1048621"	162.948976	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2H"	2.014552
"218347"	216.929542666667	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+3H"	3.021828
"651708"	324.890676	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+3H"	3.021828
"1173114"	108.968409333333	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+3H"	3.021828
"434197"	665.800623	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+NH4"	18.033823
"793007"	989.684023	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+NH4"	18.033823
"1689338"	341.917223	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+NH4"	18.033823
"338709"	333.4039495	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+H+NH4"	19.041099
"730038"	495.3456495	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+H+NH4"	19.041099
"1484953"	171.4622495	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H+NH4"	19.041099
"404729"	670.756018	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+Na"	22.989218
"767912"	994.639418	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+Na"	22.989218
"1608354"	346.872618	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Na"	22.989218
"320578"	335.881647	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+H+Na"	23.996494
"716282"	497.823347	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+H+Na"	23.996494
"1467915"	173.939947	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H+Na"	23.996494
"1060068"	116.295723333333	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2H+Na"	25.00377
"1267212"	356.916886	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+CH3OH+H"	33.033486
"381411"	686.729958	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+K"	38.963158
"741311"	1010.613358	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+K"	38.963158
"1544457"	362.846558	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+K"	38.963158
"302001"	343.868617	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+H+K"	39.970434
"703183"	505.810317	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+H+K"	39.970434
"1455543"	181.926917	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H+K"	39.970434
"243051"	689.800626	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+ACN+H"	42.033826
"1220134"	365.917226	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+ACN+H"	42.033826
"1205110"	183.462251	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+ACN+2H"	43.041102
"196886"	692.73796	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+2Na-H"	44.97116
"643743"	1016.62136	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+2Na-H"	44.97116
"1143973"	368.85456	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2Na-H"	44.97116
"185077"	346.872618	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+2Na"	45.978436
"625002"	508.814318	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+2Na"	45.978436
"1128507"	184.930918	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2Na"	45.978436
"1409479"	123.623037333333	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H+2Na"	46.985712
"1441962"	370.896146	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H+HCOOH"	47.012746
"232386"	351.90564	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+3H2O+2H"	56.04448
"1520082"	384.94819	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+IsoProp+H"	61.06479
"418684"	354.859588	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+Na+K"	61.952376
"782233"	516.801288	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+Na+K"	61.952376
"1674190"	192.917888	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Na+K"	61.952376
"266789"	711.782568	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+ACN+Na"	64.015768
"1232696"	387.899168	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+ACN+Na"	64.015768
"1721582"	387.922693	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+NH4+HCOOH"	64.039293
"1188030"	130.950351333333	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+3Na"	68.967654
"1659016"	392.878088	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Na+HCOOH"	68.994688
"165877"	724.68584	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+2K-H"	76.91904
"606529"	1048.56924	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+2K-H"	76.91904
"1092133"	400.80244	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2K-H"	76.91904
"147856"	362.846558	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"2M+2K"	77.926316
"590697"	524.788258	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"3M+2K"	77.926316
"1075209"	200.904858	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2K"	77.926316
"1110606"	402.816992	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2K+H"	78.933592
"1346992"	402.904607	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+DMSO+H"	79.021207
"1010054"	406.943776	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2ACN+H"	83.060376
"1539241"	407.937408	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+IsoProp+Na+H"	84.054008
"1000096"	203.975526	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+2ACN+2H"	84.067652
"1600068"	408.852028	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+K+HCOOH"	84.968628
"1427914"	438.883538	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+H+CF3COOH"	115.000138
"1161483"	224.488801	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+3ACN+2H"	125.094202
"1711039"	455.910085	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+NH4+CF3COOH"	132.026685
"1649238"	460.86548	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+Na+CF3COOH"	136.98208
"1585616"	476.83942	"C18117"	"23445-Pentachlorobiphenyl;PCB 114"	"C12H5Cl5"	"323.8834"	"M+K+CF3COOH"	152.95602
"813794"	323.8834	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M"	0
"981858"	304.86501	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-H2O-H"	-19.01839
"78124"	214.914990666667	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M-3H"	-3.021828
"517927"	322.876124	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M-3H"	-3.021828
"894878"	106.953857333333	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-3H"	-3.021828
"13329"	322.876124	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M-2H"	-2.014552
"444509"	484.817824	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M-2H"	-2.014552
"830697"	160.934424	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-2H"	-2.014552
"86679"	646.759524	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M-H"	-1.007276
"528429"	970.642924	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M-H"	-1.007276
"907325"	322.876124	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-H"	-1.007276
"60849"	663.786071	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M-2H+NH4"	16.019271
"497980"	987.669471	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M-2H+NH4"	16.019271
"874690"	339.902671	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-2H+NH4"	16.019271
"43683"	668.741466	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M-2H+Na"	20.974666
"482148"	992.624866	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M-2H+Na"	20.974666
"858862"	344.858066	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-2H+Na"	20.974666
"1630581"	344.858066	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Na-2H"	20.974666
"109346"	340.864463	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M-H+Cl"	33.962126
"548860"	502.806163	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M-H+Cl"	33.962126
"941279"	178.922763	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-H+Cl"	33.962126
"276555"	682.736202	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+Cl"	34.969402
"666791"	1006.619602	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+Cl"	34.969402
"1286492"	358.852802	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Cl"	34.969402
"23938"	684.715406	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M-2H+K"	36.948606
"468968"	1008.598806	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M-2H+K"	36.948606
"848108"	360.832006	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-2H+K"	36.948606
"1568071"	360.832006	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+K-2H"	36.948606
"951581"	368.881594	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-H+HCOOH"	44.998194
"371618"	692.765001	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+HCOOH-H"	44.998201
"358419"	706.780651	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+Hac-H"	59.013851
"1507742"	382.897251	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Hac-H"	59.013851
"972246"	390.863551	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-H+NaCOOH"	66.980151
"123709"	358.852802	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+2Cl"	69.938804
"558529"	520.794502	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+2Cl"	69.938804
"1034985"	196.911102	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2Cl"	69.938804
"1256381"	402.802285	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Br"	78.918885
"1318101"	404.858272	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Cl+HCOOH"	80.974872
"1334869"	426.840229	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Cl+NaCOOH"	102.956829
"925565"	436.868986	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M-H+CF3COOH"	112.985586
"1295708"	472.845664	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Cl+CF3COOH"	148.962264
"1374961"	288.870724	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H-2H2O"	-35.012676
"1393550"	306.8807	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H-H2O"	-17.0027
"287770"	648.774076	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+H"	1.007276
"676182"	972.657476	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+H"	1.007276
"1355450"	324.890676	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H"	1.007276
"139646"	324.890676	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+2H"	2.014552
"578842"	486.832376	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+2H"	2.014552
"1047639"	162.948976	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2H"	2.014552
"215541"	216.929542666667	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+3H"	3.021828
"656559"	324.890676	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+3H"	3.021828
"1172860"	108.968409333333	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+3H"	3.021828
"434308"	665.800623	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+NH4"	18.033823
"796398"	989.684023	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+NH4"	18.033823
"1688354"	341.917223	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+NH4"	18.033823
"335541"	333.4039495	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+H+NH4"	19.041099
"729056"	495.3456495	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+H+NH4"	19.041099
"1482877"	171.4622495	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H+NH4"	19.041099
"404839"	670.756018	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+Na"	22.989218
"767293"	994.639418	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+Na"	22.989218
"1609559"	346.872618	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Na"	22.989218
"319595"	335.881647	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+H+Na"	23.996494
"718579"	497.823347	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+H+Na"	23.996494
"1475319"	173.939947	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H+Na"	23.996494
"1062003"	116.295723333333	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2H+Na"	25.00377
"1266230"	356.916886	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+CH3OH+H"	33.033486
"388815"	686.729958	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+K"	38.963158
"745799"	1010.613358	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+K"	38.963158
"1544571"	362.846558	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+K"	38.963158
"298833"	343.868617	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+H+K"	39.970434
"698553"	505.810317	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+H+K"	39.970434
"1451279"	181.926917	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H+K"	39.970434
"240974"	689.800626	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+ACN+H"	42.033826
"1215870"	365.917226	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+ACN+H"	42.033826
"1201940"	183.462251	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+ACN+2H"	43.041102
"194810"	692.73796	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+2Na-H"	44.97116
"633278"	1016.62136	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+2Na-H"	44.97116
"1140437"	368.85456	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2Na-H"	44.97116
"181176"	346.872618	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+2Na"	45.978436
"623653"	508.814318	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+2Na"	45.978436
"1124972"	184.930918	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2Na"	45.978436
"1406672"	123.623037333333	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H+2Na"	46.985712
"1437695"	370.896146	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H+HCOOH"	47.012746
"230674"	351.90564	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+3H2O+2H"	56.04448
"1518734"	384.94819	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+IsoProp+H"	61.06479
"419522"	354.859588	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+Na+K"	61.952376
"778331"	516.801288	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+Na+K"	61.952376
"1674664"	192.917888	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Na+K"	61.952376
"266415"	711.782568	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+ACN+Na"	64.015768
"1230618"	387.899168	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+ACN+Na"	64.015768
"1720598"	387.922693	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+NH4+HCOOH"	64.039293
"1188139"	130.950351333333	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+3Na"	68.967654
"1652565"	392.878088	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Na+HCOOH"	68.994688
"168174"	724.68584	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+2K-H"	76.91904
"607731"	1048.56924	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+2K-H"	76.91904
"1090056"	400.80244	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2K-H"	76.91904
"146141"	362.846558	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"2M+2K"	77.926316
"589711"	524.788258	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"3M+2K"	77.926316
"1074225"	200.904858	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2K"	77.926316
"1105248"	402.816992	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2K+H"	78.933592
"1347102"	402.904607	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+DMSO+H"	79.021207
"1010164"	406.943776	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2ACN+H"	83.060376
"1537039"	407.937408	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+IsoProp+Na+H"	84.054008
"1000206"	203.975526	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+2ACN+2H"	84.067652
"1602610"	408.852028	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+K+HCOOH"	84.968628
"1425837"	438.883538	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+H+CF3COOH"	115.000138
"1162444"	224.488801	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+3ACN+2H"	125.094202
"1710783"	455.910085	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+NH4+CF3COOH"	132.026685
"1649349"	460.86548	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+Na+CF3COOH"	136.98208
"1585726"	476.83942	"C18118"	"23445-Pentachlorobiphenyl;PCB 118"	"C12H5Cl5"	"323.8834"	"M+K+CF3COOH"	152.95602
"806249"	323.8834	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M"	0
"976499"	304.86501	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-H2O-H"	-19.01839
"74586"	214.914990666667	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M-3H"	-3.021828
"509771"	322.876124	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M-3H"	-3.021828
"894868"	106.953857333333	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-3H"	-3.021828
"9429"	322.876124	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M-2H"	-2.014552
"445712"	484.817824	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M-2H"	-2.014552
"829715"	160.934424	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-2H"	-2.014552
"91893"	646.759524	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M-H"	-1.007276
"532671"	970.642924	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M-H"	-1.007276
"907435"	322.876124	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-H"	-1.007276
"61081"	663.786071	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M-2H+NH4"	16.019271
"501737"	987.669471	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M-2H+NH4"	16.019271
"874800"	339.902671	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-2H+NH4"	16.019271
"42700"	668.741466	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M-2H+Na"	20.974666
"477883"	992.624866	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M-2H+Na"	20.974666
"857877"	344.858066	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-2H+Na"	20.974666
"1629598"	344.858066	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Na-2H"	20.974666
"109452"	340.864463	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M-H+Cl"	33.962126
"546782"	502.806163	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M-H+Cl"	33.962126
"939202"	178.922763	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-H+Cl"	33.962126
"270104"	682.736202	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+Cl"	34.969402
"673341"	1006.619602	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+Cl"	34.969402
"1285868"	358.852802	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Cl"	34.969402
"27330"	684.715406	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M-2H+K"	36.948606
"464704"	1008.598806	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M-2H+K"	36.948606
"846517"	360.832006	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-2H+K"	36.948606
"1564901"	360.832006	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+K-2H"	36.948606
"952783"	368.881594	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-H+HCOOH"	44.998194
"366624"	692.765001	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+HCOOH-H"	44.998201
"357798"	706.780651	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+Hac-H"	59.013851
"1508099"	382.897251	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Hac-H"	59.013851
"973938"	390.863551	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-H+NaCOOH"	66.980151
"123701"	358.852802	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+2Cl"	69.938804
"564837"	520.794502	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+2Cl"	69.938804
"1036432"	196.911102	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2Cl"	69.938804
"1256735"	402.802285	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Br"	78.918885
"1318211"	404.858272	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Cl+HCOOH"	80.974872
"1335425"	426.840229	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Cl+NaCOOH"	102.956829
"925674"	436.868986	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M-H+CF3COOH"	112.985586
"1296911"	472.845664	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Cl+CF3COOH"	148.962264
"1378352"	288.870724	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H-2H2O"	-35.012676
"1393660"	306.8807	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H-H2O"	-17.0027
"288974"	648.774076	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+H"	1.007276
"679208"	972.657476	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+H"	1.007276
"1355560"	324.890676	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H"	1.007276
"139028"	324.890676	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+2H"	2.014552
"579317"	486.832376	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+2H"	2.014552
"1049572"	162.948976	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2H"	2.014552
"218447"	216.929542666667	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+3H"	3.021828
"657398"	324.890676	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+3H"	3.021828
"1175156"	108.968409333333	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+3H"	3.021828
"438427"	665.800623	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+NH4"	18.033823
"798693"	989.684023	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+NH4"	18.033823
"1692837"	341.917223	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+NH4"	18.033823
"341116"	333.4039495	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+H+NH4"	19.041099
"733538"	495.3456495	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+H+NH4"	19.041099
"1486265"	171.4622495	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H+NH4"	19.041099
"400573"	670.756018	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+Na"	22.989218
"766674"	994.639418	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+Na"	22.989218
"1607481"	346.872618	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Na"	22.989218
"320798"	335.881647	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+H+Na"	23.996494
"716502"	497.823347	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+H+Na"	23.996494
"1474337"	173.939947	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H+Na"	23.996494
"1062477"	116.295723333333	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2H+Na"	25.00377
"1267434"	356.916886	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+CH3OH+H"	33.033486
"387102"	686.729958	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+K"	38.963158
"745909"	1010.613358	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+K"	38.963158
"1546868"	362.846558	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+K"	38.963158
"299428"	343.868617	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+H+K"	39.970434
"695383"	505.810317	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+H+K"	39.970434
"1450296"	181.926917	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H+K"	39.970434
"237804"	689.800626	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+ACN+H"	42.033826
"1214886"	365.917226	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+ACN+H"	42.033826
"1202050"	183.462251	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+ACN+2H"	43.041102
"198199"	692.73796	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+2Na-H"	44.97116
"636670"	1016.62136	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+2Na-H"	44.97116
"1142005"	368.85456	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2Na-H"	44.97116
"181286"	346.872618	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+2Na"	45.978436
"621941"	508.814318	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+2Na"	45.978436
"1118886"	184.930918	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2Na"	45.978436
"1401314"	123.623037333333	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H+2Na"	46.985712
"1438898"	370.896146	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H+HCOOH"	47.012746
"230781"	351.90564	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+3H2O+2H"	56.04448
"1518843"	384.94819	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+IsoProp+H"	61.06479
"420362"	354.859588	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+Na+K"	61.952376
"779535"	516.801288	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+Na+K"	61.952376
"1674774"	192.917888	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Na+K"	61.952376
"266768"	711.782568	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+ACN+Na"	64.015768
"1231821"	387.899168	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+ACN+Na"	64.015768
"1721801"	387.922693	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+NH4+HCOOH"	64.039293
"1188249"	130.950351333333	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+3Na"	68.967654
"1654861"	392.878088	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Na+HCOOH"	68.994688
"160629"	724.68584	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+2K-H"	76.91904
"604561"	1048.56924	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+2K-H"	76.91904
"1087979"	400.80244	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2K-H"	76.91904
"145887"	362.846558	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"2M+2K"	77.926316
"587634"	524.788258	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"3M+2K"	77.926316
"1074335"	200.904858	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2K"	77.926316
"1105358"	402.816992	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2K+H"	78.933592
"1347212"	402.904607	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+DMSO+H"	79.021207
"1012460"	406.943776	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2ACN+H"	83.060376
"1537149"	407.937408	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+IsoProp+Na+H"	84.054008
"1000316"	203.975526	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+2ACN+2H"	84.067652
"1601381"	408.852028	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+K+HCOOH"	84.968628
"1428863"	438.883538	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+H+CF3COOH"	115.000138
"1157328"	224.488801	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+3ACN+2H"	125.094202
"1710530"	455.910085	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+NH4+CF3COOH"	132.026685
"1649459"	460.86548	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+Na+CF3COOH"	136.98208
"1585836"	476.83942	"C18119"	"23445-Pentachlorobiphenyl;PCB 123"	"C12H5Cl5"	"323.8834"	"M+K+CF3COOH"	152.95602
"806359"	357.8444	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M"	0
"978796"	338.82601	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"69228"	237.555657333333	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"515349"	356.837124	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"892060"	118.274190666667	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"11726"	356.837124	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"443635"	535.759324	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"830919"	177.914924	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"90182"	714.681524	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"531928"	1072.525924	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"906452"	356.837124	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"60705"	731.708071	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"498200"	1089.552471	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"875999"	373.863671	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"41717"	736.663466	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"475807"	1094.507866	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"853614"	378.819066	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1626429"	378.819066	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"108913"	374.825463	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"546892"	553.747663	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"937126"	195.903263	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"276775"	750.658202	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"671386"	1108.502602	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1284885"	392.813802	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"28900"	752.637406	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"468461"	1110.481806	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"838242"	394.793006	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1567197"	394.793006	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"947426"	402.842594	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"371109"	760.687001	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"354991"	774.702651	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1506751"	416.858251	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"968095"	424.824551	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"118096"	392.813802	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"558748"	571.736002	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1034838"	213.891602	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1252593"	436.763285	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1315041"	438.819272	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1331444"	460.801229	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"918126"	470.829986	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1298111"	506.806664	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1374087"	322.831724	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1390490"	340.8417	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"285073"	716.696076	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"677494"	1074.540476	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1355670"	358.851676	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"139502"	358.851676	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"577968"	537.773876	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1048953"	179.929476	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"217949"	239.570209333333	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"658481"	358.851676	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1175631"	120.288742666667	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"436717"	733.722623	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"796619"	1091.567023	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1691856"	375.878223	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"342318"	367.3649495	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"734380"	546.2871495	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1486375"	188.4427495	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"399590"	738.678018	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"766784"	1096.522418	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1613059"	380.833618	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"322001"	369.842647	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"717705"	548.764847	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1476392"	190.920447	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1064775"	127.616056666667	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1269004"	390.877886	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"387213"	754.651958	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"749665"	1112.496358	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1550258"	396.807558	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"301971"	377.829617	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"694764"	556.751817	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1452593"	198.907417	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"243381"	757.722626	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1218276"	399.878226	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1205441"	200.442751	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"199404"	760.65996	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"641153"	1118.50436	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1141385"	402.81556	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"177022"	380.833618	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"619864"	559.755818	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1120088"	201.911418	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1401425"	134.943370666667	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1439008"	404.857146	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"226518"	385.86664	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1518952"	418.90919	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"418646"	388.820588	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"776364"	567.742788	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1674884"	209.898388	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"265783"	779.704568	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1231931"	421.860168	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1718631"	421.883693	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1183986"	142.270684666667	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1653878"	426.839088	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"160739"	792.60784	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"603578"	1150.45224	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1088089"	434.76344	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"145997"	396.807558	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"585558"	575.729758	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1073352"	217.885358	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1105468"	436.777992	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1338574"	436.865607	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1008562"	440.904776	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1530697"	441.898408	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"1000426"	220.956026	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1601495"	442.813028	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1429337"	472.844538	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1159625"	241.469301	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1709547"	489.871085	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1648108"	494.82648	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1585946"	510.80042	"C18120"	"233445-Hexachlorobiphenyl;PCB 156"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"806469"	357.8444	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M"	0
"977813"	338.82601	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"72618"	237.555657333333	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"513272"	356.837124	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"893263"	118.274190666667	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"6370"	356.837124	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"444109"	535.759324	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"831150"	177.914924	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"91264"	714.681524	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"534067"	1072.525924	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"907656"	356.837124	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"58749"	731.708071	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"498310"	1089.552471	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"875016"	373.863671	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"44013"	736.663466	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"477373"	1094.507866	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"853724"	378.819066	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1625443"	378.819066	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"100881"	374.825463	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"543722"	553.747663	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"930675"	195.903263	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"276885"	750.658202	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"673684"	1108.502602	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1283902"	392.813802	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"29374"	752.637406	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"469299"	1110.481806	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"837259"	394.793006	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1568037"	394.793006	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"947536"	402.842594	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"371219"	760.687001	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"355101"	774.702651	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1506497"	416.858251	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"968205"	424.824551	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"115290"	392.813802	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"562138"	571.736002	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1027657"	213.891602	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1248329"	436.763285	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1308953"	438.819272	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1324992"	460.801229	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"917140"	470.829986	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1297128"	506.806664	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1372010"	322.831724	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1389504"	340.8417	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"285911"	716.696076	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"677236"	1074.540476	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1355780"	358.851676	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"137788"	358.851676	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"578806"	537.773876	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1049063"	179.929476	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"217695"	239.570209333333	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"656162"	358.851676	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1175741"	120.288742666667	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"436827"	733.722623	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"796729"	1091.567023	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1689779"	375.878223	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"340242"	367.3649495	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"729387"	546.2871495	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1483206"	188.4427495	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"397514"	738.678018	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"765800"	1096.522418	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1615356"	380.833618	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"322112"	369.842647	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"716722"	548.764847	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1476015"	190.920447	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1063789"	127.616056666667	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1266927"	390.877886	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"385865"	754.651958	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"751234"	1112.496358	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1550004"	396.807558	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"300988"	377.829617	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"696697"	556.751817	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1450516"	198.907417	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"243491"	757.722626	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1216199"	399.878226	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1205551"	200.442751	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"197327"	760.65996	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"642355"	1118.50436	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1145384"	402.81556	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"178226"	380.833618	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"617788"	559.755818	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1121292"	201.911418	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1403722"	134.943370666667	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1436931"	404.857146	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"228815"	385.86664	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1517968"	418.90919	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"415476"	388.820588	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"773195"	567.742788	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1674994"	209.898388	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"266381"	779.704568	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1235316"	421.860168	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1722022"	421.883693	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1187376"	142.270684666667	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1657268"	426.839088	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"160848"	792.60784	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"603688"	1150.45224	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1089291"	434.76344	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"148294"	396.807558	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"586761"	575.729758	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1073462"	217.885358	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1111046"	436.777992	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1344152"	436.865607	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1008672"	440.904776	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1530807"	441.898408	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"1000536"	220.956026	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1600508"	442.813028	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1429447"	472.844538	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1156455"	241.469301	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1710749"	489.871085	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1648218"	494.82648	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1586056"	510.80042	"C18121"	"233445-Hexachlorobiphenyl;PCB 157"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"806579"	357.8444	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M"	0
"977924"	338.82601	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-H2O-H"	-19.01839
"77833"	237.555657333333	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M-3H"	-3.021828
"514477"	356.837124	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M-3H"	-3.021828
"891186"	118.274190666667	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-3H"	-3.021828
"5389"	356.837124	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M-2H"	-2.014552
"450420"	535.759324	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M-2H"	-2.014552
"830408"	177.914924	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-2H"	-2.014552
"88214"	714.681524	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M-H"	-1.007276
"531906"	1072.525924	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M-H"	-1.007276
"906668"	356.837124	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-H"	-1.007276
"61532"	731.708071	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M-2H+NH4"	16.019271
"500603"	1089.552471	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M-2H+NH4"	16.019271
"874031"	373.863671	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-2H+NH4"	16.019271
"44123"	736.663466	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M-2H+Na"	20.974666
"477483"	1094.507866	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M-2H+Na"	20.974666
"856021"	378.819066	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-2H+Na"	20.974666
"1624460"	378.819066	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Na-2H"	20.974666
"109622"	374.825463	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M-H+Cl"	33.962126
"543832"	553.747663	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M-H+Cl"	33.962126
"940999"	195.903263	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-H+Cl"	33.962126
"279184"	750.658202	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+Cl"	34.969402
"672702"	1108.502602	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+Cl"	34.969402
"1286198"	392.813802	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Cl"	34.969402
"28755"	752.637406	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M-2H+K"	36.948606
"470869"	1110.481806	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M-2H+K"	36.948606
"840650"	394.793006	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-2H+K"	36.948606
"1565231"	394.793006	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+K-2H"	36.948606
"950926"	402.842594	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-H+HCOOH"	44.998194
"371329"	760.687001	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+HCOOH-H"	44.998201
"354118"	774.702651	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+Hac-H"	59.013851
"1507331"	416.858251	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Hac-H"	59.013851
"968316"	424.824551	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-H+NaCOOH"	66.980151
"119411"	392.813802	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+2Cl"	69.938804
"557876"	571.736002	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+2Cl"	69.938804
"1031048"	213.891602	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2Cl"	69.938804
"1250627"	436.763285	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Br"	78.918885
"1311251"	438.819272	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Cl+HCOOH"	80.974872
"1327290"	460.801229	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Cl+NaCOOH"	102.956829
"918709"	470.829986	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M-H+CF3COOH"	112.985586
"1298332"	506.806664	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Cl+CF3COOH"	148.962264
"1373213"	322.831724	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H-2H2O"	-35.012676
"1390708"	340.8417	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H-H2O"	-17.0027
"286385"	716.696076	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+H"	1.007276
"676491"	1074.540476	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+H"	1.007276
"1353334"	358.851676	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H"	1.007276
"138626"	358.851676	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+2H"	2.014552
"576728"	537.773876	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+2H"	2.014552
"1049172"	179.929476	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2H"	2.014552
"218900"	239.570209333333	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+3H"	3.021828
"658338"	358.851676	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+3H"	3.021828
"1175490"	120.288742666667	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+3H"	3.021828
"436938"	733.722623	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+NH4"	18.033823
"799027"	1091.567023	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+NH4"	18.033823
"1692078"	375.878223	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+NH4"	18.033823
"342544"	367.3649495	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+H+NH4"	19.041099
"731683"	546.2871495	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+H+NH4"	19.041099
"1484411"	188.4427495	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H+NH4"	19.041099
"407103"	738.678018	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+Na"	22.989218
"768345"	1096.522418	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+Na"	22.989218
"1615467"	380.833618	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Na"	22.989218
"329398"	369.842647	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+H+Na"	23.996494
"722262"	548.764847	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+H+Na"	23.996494
"1474665"	190.920447	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H+Na"	23.996494
"1062806"	127.616056666667	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2H+Na"	25.00377
"1267400"	390.877886	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+CH3OH+H"	33.033486
"389256"	754.651958	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+K"	38.963158
"752440"	1112.496358	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+K"	38.963158
"1549385"	396.807558	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+K"	38.963158
"303284"	377.829617	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+H+K"	39.970434
"697900"	556.751817	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+H+K"	39.970434
"1452813"	198.907417	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H+K"	39.970434
"244695"	757.722626	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+ACN+H"	42.033826
"1218497"	399.878226	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+ACN+H"	42.033826
"1208821"	200.442751	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+ACN+2H"	43.041102
"198531"	760.65996	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+2Na-H"	44.97116
"644205"	1118.50436	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+2Na-H"	44.97116
"1144522"	402.81556	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2Na-H"	44.97116
"182710"	380.833618	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+2Na"	45.978436
"621177"	559.755818	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+2Na"	45.978436
"1120309"	201.911418	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2Na"	45.978436
"1403831"	134.943370666667	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H+2Na"	46.985712
"1439227"	404.857146	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H+HCOOH"	47.012746
"231111"	385.86664	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+3H2O+2H"	56.04448
"1519171"	418.90919	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+IsoProp+H"	61.06479
"417775"	388.820588	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+Na+K"	61.952376
"775492"	567.742788	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+Na+K"	61.952376
"1671824"	209.898388	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Na+K"	61.952376
"266367"	779.704568	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+ACN+Na"	64.015768
"1233239"	421.860168	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+ACN+Na"	64.015768
"1723225"	421.883693	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+NH4+HCOOH"	64.039293
"1185299"	142.270684666667	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+3Na"	68.967654
"1657378"	426.839088	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Na+HCOOH"	68.994688
"160958"	792.60784	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+2K-H"	76.91904
"601610"	1150.45224	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+2K-H"	76.91904
"1091588"	434.76344	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2K-H"	76.91904
"148404"	396.807558	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"2M+2K"	77.926316
"585778"	575.729758	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"3M+2K"	77.926316
"1075759"	217.885358	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2K"	77.926316
"1105688"	436.777992	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2K+H"	78.933592
"1339158"	436.865607	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+DMSO+H"	79.021207
"1009511"	440.904776	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2ACN+H"	83.060376
"1525447"	441.898408	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+IsoProp+Na+H"	84.054008
"994084"	220.956026	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+2ACN+2H"	84.067652
"1598430"	442.813028	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+K+HCOOH"	84.968628
"1428464"	472.844538	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+H+CF3COOH"	115.000138
"1159845"	241.469301	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+3ACN+2H"	125.094202
"1707209"	489.871085	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+NH4+CF3COOH"	132.026685
"1648328"	494.82648	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+Na+CF3COOH"	136.98208
"1586166"	510.80042	"C18122"	"234455-Hexachlorobiphenyl;PCB 167"	"C12H4Cl6"	"357.8444"	"M+K+CF3COOH"	152.95602
"806689"	391.8054	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M"	0
"978034"	372.78701	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-H2O-H"	-19.01839
"72838"	260.196324	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M-3H"	-3.021828
"513492"	390.798124	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M-3H"	-3.021828
"886923"	129.594524	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-3H"	-3.021828
"3312"	390.798124	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M-2H"	-2.014552
"451623"	586.700824	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M-2H"	-2.014552
"829424"	194.895424	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-2H"	-2.014552
"91604"	782.603524	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M-H"	-1.007276
"530071"	1174.408924	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M-H"	-1.007276
"908964"	390.798124	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-H"	-1.007276
"58964"	799.630071	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M-2H+NH4"	16.019271
"499616"	1191.435471	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M-2H+NH4"	16.019271
"876327"	407.824671	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-2H+NH4"	16.019271
"38760"	804.585466	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M-2H+Na"	20.974666
"480509"	1196.390866	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M-2H+Na"	20.974666
"857224"	412.780066	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-2H+Na"	20.974666
"1624570"	412.780066	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Na-2H"	20.974666
"109615"	408.786463	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M-H+Cl"	33.962126
"546129"	604.689163	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M-H+Cl"	33.962126
"942442"	212.883763	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-H+Cl"	33.962126
"278201"	818.580202	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+Cl"	34.969402
"672809"	1210.385602	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+Cl"	34.969402
"1287401"	426.774802	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Cl"	34.969402
"30971"	820.559406	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M-2H+K"	36.948606
"471323"	1212.364806	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M-2H+K"	36.948606
"840760"	428.754006	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-2H+K"	36.948606
"1566434"	428.754006	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+K-2H"	36.948606
"951765"	436.803594	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-H+HCOOH"	44.998194
"372168"	828.609001	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+HCOOH-H"	44.998201
"355321"	842.624651	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+Hac-H"	59.013851
"1501971"	450.819251	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Hac-H"	59.013851
"970978"	458.785551	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-H+NaCOOH"	66.980151
"119521"	426.774802	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+2Cl"	69.938804
"557986"	622.677502	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+2Cl"	69.938804
"1030064"	230.872102	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2Cl"	69.938804
"1254017"	470.724285	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Br"	78.918885
"1311361"	472.780272	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Cl+HCOOH"	80.974872
"1328493"	494.762229	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Cl+NaCOOH"	102.956829
"920642"	504.790986	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M-H+CF3COOH"	112.985586
"1300629"	540.767664	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Cl+CF3COOH"	148.962264
"1374417"	356.792724	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H-2H2O"	-35.012676
"1387539"	374.8027	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H-H2O"	-17.0027
"284308"	784.618076	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+H"	1.007276
"676118"	1176.423476	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+H"	1.007276
"1352352"	392.812676	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H"	1.007276
"138007"	392.812676	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+2H"	2.014552
"577935"	588.715376	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+2H"	2.014552
"1051838"	196.909976	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2H"	2.014552
"219014"	262.210876	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+3H"	3.021828
"658935"	392.812676	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+3H"	3.021828
"1177060"	131.609076	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+3H"	3.021828
"437050"	801.644623	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+NH4"	18.033823
"797680"	1193.450023	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+NH4"	18.033823
"1693649"	409.839223	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+NH4"	18.033823
"341926"	401.3259495	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+H+NH4"	19.041099
"730701"	597.2286495	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+H+NH4"	19.041099
"1485614"	205.4232495	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H+NH4"	19.041099
"407217"	806.600018	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+Na"	22.989218
"768941"	1198.405418	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+Na"	22.989218
"1615213"	414.794618	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Na"	22.989218
"329506"	403.803647	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+H+Na"	23.996494
"722048"	599.706347	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+H+Na"	23.996494
"1473682"	207.900947	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H+Na"	23.996494
"1060730"	138.93639	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2H+Na"	25.00377
"1265323"	424.838886	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+CH3OH+H"	33.033486
"388637"	822.573958	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+K"	38.963158
"752549"	1214.379358	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+K"	38.963158
"1550589"	430.768558	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+K"	38.963158
"306671"	411.790617	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+H+K"	39.970434
"695824"	607.693317	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+H+K"	39.970434
"1451828"	215.887917	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H+K"	39.970434
"242618"	825.644626	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+ACN+H"	42.033826
"1216420"	433.839226	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+ACN+H"	42.033826
"1206866"	217.423251	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+ACN+2H"	43.041102
"199734"	828.58196	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+2Na-H"	44.97116
"643184"	1220.38736	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+2Na-H"	44.97116
"1146570"	436.77656	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2Na-H"	44.97116
"183913"	414.794618	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+2Na"	45.978436
"621287"	610.697318	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+2Na"	45.978436
"1123699"	218.891918	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2Na"	45.978436
"1403941"	146.263704	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H+2Na"	46.985712
"1438244"	438.818146	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H+HCOOH"	47.012746
"231221"	419.82764	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+3H2O+2H"	56.04448
"1519281"	452.87019	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+IsoProp+H"	61.06479
"420801"	422.781588	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+Na+K"	61.952376
"778882"	618.684288	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+Na+K"	61.952376
"1675214"	226.878888	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Na+K"	61.952376
"265018"	847.626568	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+ACN+Na"	64.015768
"1233349"	455.821168	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+ACN+Na"	64.015768
"1720056"	455.844693	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+NH4+HCOOH"	64.039293
"1184316"	153.591018	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+3Na"	68.967654
"1656395"	460.800088	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Na+HCOOH"	68.994688
"162161"	860.52984	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+2K-H"	76.91904
"603908"	1252.33524	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+2K-H"	76.91904
"1092791"	468.72444	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2K-H"	76.91904
"147420"	430.768558	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"2M+2K"	77.926316
"588075"	626.671258	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"3M+2K"	77.926316
"1076962"	234.865858	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2K"	77.926316
"1109078"	470.738992	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2K+H"	78.933592
"1339632"	470.826607	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+DMSO+H"	79.021207
"1008892"	474.865776	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2ACN+H"	83.060376
"1526651"	475.859408	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+IsoProp+Na+H"	84.054008
"994194"	237.936526	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+2ACN+2H"	84.067652
"1602538"	476.774028	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+K+HCOOH"	84.968628
"1429506"	506.805538	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+H+CF3COOH"	115.000138
"1159955"	258.449801	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+3ACN+2H"	125.094202
"1707318"	523.832085	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+NH4+CF3COOH"	132.026685
"1648438"	528.78748	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+Na+CF3COOH"	136.98208
"1586276"	544.76142	"C18123"	"2334455-Heptachlorobiphenyl;PCB 189"	"C12H3Cl7"	"391.8054"	"M+K+CF3COOH"	152.95602
"806799"	377.8706	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M"	0
"977051"	358.85221	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-H2O-H"	-19.01839
"71855"	250.906457333333	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M-3H"	-3.021828
"512509"	376.863324	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M-3H"	-3.021828
"887033"	124.949590666667	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-3H"	-3.021828
"1598"	376.863324	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M-2H"	-2.014552
"450640"	565.798624	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M-2H"	-2.014552
"828441"	187.928024	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-2H"	-2.014552
"88434"	754.733924	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M-H"	-1.007276
"526901"	1132.604524	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M-H"	-1.007276
"904700"	376.863324	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-H"	-1.007276
"56887"	771.760471	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M-2H+NH4"	16.019271
"498633"	1149.631071	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M-2H+NH4"	16.019271
"875344"	393.889871	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-2H+NH4"	16.019271
"37777"	776.715866	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M-2H+Na"	20.974666
"477339"	1154.586466	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M-2H+Na"	20.974666
"854048"	398.845266	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-2H+Na"	20.974666
"1625773"	398.845266	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Na-2H"	20.974666
"109680"	394.851663	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M-H+Cl"	33.962126
"545145"	583.786963	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M-H+Cl"	33.962126
"942470"	205.916363	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-H+Cl"	33.962126
"276124"	790.710602	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+Cl"	34.969402
"672919"	1168.581202	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+Cl"	34.969402
"1280949"	412.840002	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Cl"	34.969402
"26786"	792.689806	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M-2H+K"	36.948606
"467443"	1170.560406	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M-2H+K"	36.948606
"838683"	414.819206	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-2H+K"	36.948606
"1563264"	414.819206	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+K-2H"	36.948606
"948958"	422.868794	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-H+HCOOH"	44.998194
"361704"	800.739401	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+HCOOH-H"	44.998201
"349964"	814.755051	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+Hac-H"	59.013851
"1504267"	436.884451	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Hac-H"	59.013851
"967443"	444.850751	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-H+NaCOOH"	66.980151
"117444"	412.840002	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+2Cl"	69.938804
"558096"	601.775302	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+2Cl"	69.938804
"1029081"	223.904702	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2Cl"	69.938804
"1247566"	456.789485	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Br"	78.918885
"1310013"	458.845472	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Cl+HCOOH"	80.974872
"1328603"	480.827429	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Cl+NaCOOH"	102.956829
"919660"	490.856186	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M-H+CF3COOH"	112.985586
"1295274"	526.832864	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Cl+CF3COOH"	148.962264
"1374529"	342.857924	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H-2H2O"	-35.012676
"1394210"	360.8679	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H-H2O"	-17.0027
"284785"	756.748476	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+H"	1.007276
"675904"	1134.619076	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+H"	1.007276
"1352826"	378.877876	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H"	1.007276
"134470"	378.877876	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+2H"	2.014552
"579503"	567.813176	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+2H"	2.014552
"1052478"	189.942576	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2H"	2.014552
"218026"	252.921009333333	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+3H"	3.021828
"654669"	378.877876	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+3H"	3.021828
"1173161"	126.964142666667	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+3H"	3.021828
"437525"	773.775023	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+NH4"	18.033823
"794874"	1151.645623	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+NH4"	18.033823
"1691934"	395.904423	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+NH4"	18.033823
"340214"	387.3911495	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+H+NH4"	19.041099
"729718"	576.3264495	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+H+NH4"	19.041099
"1484631"	198.4558495	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H+NH4"	19.041099
"405137"	778.730418	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+Na"	22.989218
"765402"	1156.601018	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+Na"	22.989218
"1614594"	400.859818	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Na"	22.989218
"329375"	389.868847	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+H+Na"	23.996494
"722043"	578.804147	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+H+Na"	23.996494
"1475979"	200.933547	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H+Na"	23.996494
"1063027"	134.291456666667	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2H+Na"	25.00377
"1267621"	410.904086	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+CH3OH+H"	33.033486
"387290"	794.704358	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+K"	38.963158
"753877"	1172.574958	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+K"	38.963158
"1552766"	416.833758	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+K"	38.963158
"308969"	397.855817	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+H+K"	39.970434
"702493"	586.791117	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+H+K"	39.970434
"1449752"	208.920517	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H+K"	39.970434
"238354"	797.775026	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+ACN+H"	42.033826
"1215436"	419.904426	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+ACN+H"	42.033826
"1204787"	210.455851	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+ACN+2H"	43.041102
"197656"	800.71236	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+2Na-H"	44.97116
"641957"	1178.58296	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+2Na-H"	44.97116
"1145220"	422.84176	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2Na-H"	44.97116
"182930"	400.859818	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+2Na"	45.978436
"618117"	589.795118	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+2Na"	45.978436
"1123809"	211.924518	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2Na"	45.978436
"1402958"	141.618770666667	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H+2Na"	46.985712
"1436168"	424.883346	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H+HCOOH"	47.012746
"232424"	405.89284	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+3H2O+2H"	56.04448
"1519027"	438.93539	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+IsoProp+H"	61.06479
"419087"	408.846788	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+Na+K"	61.952376
"776805"	597.782088	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+Na+K"	61.952376
"1670950"	219.911488	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Na+K"	61.952376
"259657"	819.756968	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+ACN+Na"	64.015768
"1233458"	441.886368	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+ACN+Na"	64.015768
"1719071"	441.909893	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+NH4+HCOOH"	64.039293
"1181146"	148.946084666667	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+3Na"	68.967654
"1656505"	446.865288	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Na+HCOOH"	68.994688
"165551"	832.66024	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+2K-H"	76.91904
"606204"	1210.53084	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+2K-H"	76.91904
"1092901"	454.78964	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2K-H"	76.91904
"146437"	416.833758	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"2M+2K"	77.926316
"588185"	605.769058	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"3M+2K"	77.926316
"1077072"	227.898458	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2K"	77.926316
"1108095"	456.804192	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2K+H"	78.933592
"1341200"	456.891807	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+DMSO+H"	79.021207
"1009729"	460.930976	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2ACN+H"	83.060376
"1527123"	461.924608	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+IsoProp+Na+H"	84.054008
"995397"	230.969126	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+2ACN+2H"	84.067652
"1595369"	462.839228	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+K+HCOOH"	84.968628
"1428684"	492.870738	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+H+CF3COOH"	115.000138
"1160065"	251.482401	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+3ACN+2H"	125.094202
"1707428"	509.897285	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+NH4+CF3COOH"	132.026685
"1648548"	514.85268	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+Na+CF3COOH"	136.98208
"1586386"	530.82662	"C18124"	"Endrin"	"C12H8Cl6O"	"377.8706"	"M+K+CF3COOH"	152.95602
"806911"	454.2104	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M"	0
"985914"	435.19201	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-H2O-H"	-19.01839
"65408"	301.799657333333	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M-3H"	-3.021828
"510435"	453.203124	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M-3H"	-3.021828
"887143"	150.396190666667	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-3H"	-3.021828
"9001"	453.203124	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M-2H"	-2.014552
"450751"	680.308324	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M-2H"	-2.014552
"829645"	226.097924	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-2H"	-2.014552
"91582"	907.413524	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M-H"	-1.007276
"530291"	1361.623924	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M-H"	-1.007276
"905904"	453.203124	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-H"	-1.007276
"50439"	924.440071	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M-2H+NH4"	16.019271
"495468"	1378.650471	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M-2H+NH4"	16.019271
"873271"	470.229671	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-2H+NH4"	16.019271
"43724"	929.395466	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M-2H+Na"	20.974666
"485844"	1383.605866	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M-2H+Na"	20.974666
"863282"	475.185066	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-2H+Na"	20.974666
"1631360"	475.185066	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Na-2H"	20.974666
"109342"	471.191463	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M-H+Cl"	33.962126
"544161"	698.296663	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M-H+Cl"	33.962126
"940963"	244.086263	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-H+Cl"	33.962126
"281221"	943.390202	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+Cl"	34.969402
"672671"	1397.600602	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+Cl"	34.969402
"1286168"	489.179802	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Cl"	34.969402
"30060"	945.369406	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M-2H+K"	36.948606
"469012"	1399.579806	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M-2H+K"	36.948606
"842073"	491.159006	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-2H+K"	36.948606
"1565561"	491.159006	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+K-2H"	36.948606
"951257"	499.208594	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-H+HCOOH"	44.998194
"370202"	953.419001	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+HCOOH-H"	44.998201
"354451"	967.434651	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+Hac-H"	59.013851
"1502197"	513.224251	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Hac-H"	59.013851
"964272"	521.190551	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-H+NaCOOH"	66.980151
"116823"	489.179802	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+2Cl"	69.938804
"557114"	716.285002	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+2Cl"	69.938804
"1032472"	262.074602	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2Cl"	69.938804
"1250956"	533.129285	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Br"	78.918885
"1310125"	535.185272	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Cl+HCOOH"	80.974872
"1327621"	557.167229	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Cl+NaCOOH"	102.956829
"918679"	567.195986	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M-H+CF3COOH"	112.985586
"1300855"	603.172664	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Cl+CF3COOH"	148.962264
"1376827"	419.197724	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H-2H2O"	-35.012676
"1385576"	437.2077	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H-H2O"	-17.0027
"288546"	909.428076	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+H"	1.007276
"690450"	1363.638476	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+H"	1.007276
"1364248"	455.217676	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H"	1.007276
"139324"	455.217676	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+2H"	2.014552
"577062"	682.322876	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+2H"	2.014552
"1049142"	228.112476	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2H"	2.014552
"216314"	303.814209333333	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+3H"	3.021828
"653687"	455.217676	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+3H"	3.021828
"1174729"	152.410742666667	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+3H"	3.021828
"436542"	926.454623	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+NH4"	18.033823
"797171"	1380.665023	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+NH4"	18.033823
"1686943"	472.244223	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+NH4"	18.033823
"338499"	463.7309495	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+H+NH4"	19.041099
"733109"	690.8361495	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+H+NH4"	19.041099
"1488024"	236.6257495	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H+NH4"	19.041099
"404883"	931.410018	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+Na"	22.989218
"767701"	1385.620418	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+Na"	22.989218
"1617877"	477.199618	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Na"	22.989218
"328027"	466.208647	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+H+Na"	23.996494
"721785"	693.313847	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+H+Na"	23.996494
"1474996"	239.103447	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H+Na"	23.996494
"1062045"	159.738056666667	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2H+Na"	25.00377
"1267003"	487.243886	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+CH3OH+H"	33.033486
"388491"	947.383958	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+K"	38.963158
"743292"	1401.594358	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+K"	38.963158
"1550821"	493.173558	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+K"	38.963158
"304716"	474.195617	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+H+K"	39.970434
"697138"	701.300817	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+H+K"	39.970434
"1456425"	247.090417	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H+K"	39.970434
"241747"	950.454626	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+ACN+H"	42.033826
"1215548"	496.244226	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+ACN+H"	42.033826
"1204900"	248.625751	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+ACN+2H"	43.041102
"197770"	953.39196	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+2Na-H"	44.97116
"639891"	1407.60236	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+2Na-H"	44.97116
"1140843"	499.18156	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2Na-H"	44.97116
"181946"	477.199618	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+2Na"	45.978436
"618224"	704.304818	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+2Na"	45.978436
"1122460"	250.094418	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2Na"	45.978436
"1404161"	167.065370666667	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H+2Na"	46.985712
"1434091"	501.223146	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H+HCOOH"	47.012746
"228162"	482.23264	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+3H2O+2H"	56.04448
"1517327"	515.27519	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+IsoProp+H"	61.06479
"414824"	485.186588	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+Na+K"	61.952376
"782021"	712.291788	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+Na+K"	61.952376
"1674341"	258.081388	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Na+K"	61.952376
"263049"	972.436568	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+ACN+Na"	64.015768
"1228108"	518.226168	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+ACN+Na"	64.015768
"1721367"	518.249693	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+NH4+HCOOH"	64.039293
"1183440"	174.392684666667	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+3Na"	68.967654
"1662078"	523.205088	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Na+HCOOH"	68.994688
"171977"	985.33984	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+2K-H"	76.91904
"611984"	1439.55024	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+2K-H"	76.91904
"1095198"	531.12944	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2K-H"	76.91904
"149827"	493.173558	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"2M+2K"	77.926316
"592671"	720.278758	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"3M+2K"	77.926316
"1076088"	266.068358	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2K"	77.926316
"1109297"	533.143992	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2K+H"	78.933592
"1344590"	533.231607	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+DMSO+H"	79.021207
"1010932"	537.270776	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2ACN+H"	83.060376
"1526871"	538.264408	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+IsoProp+Na+H"	84.054008
"994414"	269.139026	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+2ACN+2H"	84.067652
"1595479"	539.179028	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+K+HCOOH"	84.968628
"1424420"	569.210538	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+H+CF3COOH"	115.000138
"1149240"	289.652301	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+3ACN+2H"	125.094202
"1697575"	586.237085	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+NH4+CF3COOH"	132.026685
"1645378"	591.19248	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+Na+CF3COOH"	136.98208
"1576655"	607.16642	"C18127"	"beta-Funaltrexamine;beta-FNA"	"C25H30N2O6"	"454.2104"	"M+K+CF3COOH"	152.95602
"807021"	414.1943	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M"	0
"984932"	395.17591	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-H2O-H"	-19.01839
"63697"	275.122257333333	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M-3H"	-3.021828
"511639"	413.187024	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M-3H"	-3.021828
"882881"	137.057490666667	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-3H"	-3.021828
"9111"	413.187024	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M-2H"	-2.014552
"453047"	620.284174	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M-2H"	-2.014552
"831699"	206.089874	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-2H"	-2.014552
"91814"	827.381324	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M-H"	-1.007276
"531495"	1241.575624	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M-H"	-1.007276
"907108"	413.187024	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-H"	-1.007276
"52735"	844.407871	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M-2H+NH4"	16.019271
"495578"	1258.602171	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M-2H+NH4"	16.019271
"870102"	430.213571	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-2H+NH4"	16.019271
"41283"	849.363266	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M-2H+Na"	20.974666
"480847"	1263.557566	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M-2H+Na"	20.974666
"858653"	435.168966	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-2H+Na"	20.974666
"1631469"	435.168966	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Na-2H"	20.974666
"106901"	431.175363	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M-H+Cl"	33.962126
"542085"	638.272513	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M-H+Cl"	33.962126
"936697"	224.078213	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-H+Cl"	33.962126
"277440"	863.358002	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+Cl"	34.969402
"669862"	1277.552302	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+Cl"	34.969402
"1277890"	449.163702	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Cl"	34.969402
"24822"	865.337206	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M-2H+K"	36.948606
"464384"	1279.531506	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M-2H+K"	36.948606
"841090"	451.142906	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-2H+K"	36.948606
"1565671"	451.142906	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+K-2H"	36.948606
"951366"	459.192494	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-H+HCOOH"	44.998194
"369585"	873.386801	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+HCOOH-H"	44.998201
"352740"	887.402451	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+Hac-H"	59.013851
"1501214"	473.208151	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Hac-H"	59.013851
"962558"	481.174451	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-H+NaCOOH"	66.980151
"117663"	449.163702	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+2Cl"	69.938804
"556857"	656.260852	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+2Cl"	69.938804
"1029303"	242.066552	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2Cl"	69.938804
"1249973"	493.113185	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Br"	78.918885
"1313516"	495.169172	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Cl+HCOOH"	80.974872
"1325179"	517.151129	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Cl+NaCOOH"	102.956829
"916603"	527.179886	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M-H+CF3COOH"	112.985586
"1299872"	563.156564	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Cl+CF3COOH"	148.962264
"1376937"	379.181624	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H-2H2O"	-35.012676
"1387874"	397.1916	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H-H2O"	-17.0027
"287563"	829.395876	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+H"	1.007276
"690560"	1243.590176	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+H"	1.007276
"1364358"	415.201576	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H"	1.007276
"139434"	415.201576	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+2H"	2.014552
"580982"	622.298726	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+2H"	2.014552
"1050346"	208.104426	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2H"	2.014552
"214236"	277.136809333333	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+3H"	3.021828
"654527"	415.201576	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+3H"	3.021828
"1174838"	139.072042666667	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+3H"	3.021828
"433006"	846.422423	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+NH4"	18.033823
"798374"	1260.616723	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+NH4"	18.033823
"1685959"	432.228123	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+NH4"	18.033823
"337516"	423.7148495	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+H+NH4"	19.041099
"729939"	630.8119995	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+H+NH4"	19.041099
"1488134"	216.6176995	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H+NH4"	19.041099
"407059"	851.377818	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+Na"	22.989218
"765989"	1265.572118	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+Na"	22.989218
"1616280"	437.183518	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Na"	22.989218
"324490"	426.192547	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+H+Na"	23.996494
"715818"	633.289697	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+H+Na"	23.996494
"1472187"	219.095397	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H+Na"	23.996494
"1059968"	146.399356666667	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2H+Na"	25.00377
"1264923"	447.227786	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+CH3OH+H"	33.033486
"388965"	867.351758	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+K"	38.963158
"745585"	1281.546058	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+K"	38.963158
"1550931"	453.157458	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+K"	38.963158
"305920"	434.179517	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+H+K"	39.970434
"700528"	641.276667	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+H+K"	39.970434
"1455442"	227.082367	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H+K"	39.970434
"248417"	870.422426	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+ACN+H"	42.033826
"1221126"	456.228126	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+ACN+H"	42.033826
"1207197"	228.617701	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+ACN+2H"	43.041102
"202134"	873.35976	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+2Na-H"	44.97116
"642550"	1287.55406	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+2Na-H"	44.97116
"1142774"	459.16546	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2Na-H"	44.97116
"183148"	437.183518	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+2Na"	45.978436
"625988"	644.280668	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+2Na"	45.978436
"1126944"	230.086368	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2Na"	45.978436
"1409376"	153.726670666667	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H+2Na"	46.985712
"1437116"	461.207046	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H+HCOOH"	47.012746
"226085"	442.21654	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+3H2O+2H"	56.04448
"1516335"	475.25909	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+IsoProp+H"	61.06479
"420034"	445.170488	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+Na+K"	61.952376
"782851"	652.267638	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+Na+K"	61.952376
"1676633"	238.073338	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Na+K"	61.952376
"258784"	892.404368	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+ACN+Na"	64.015768
"1234778"	478.210068	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+ACN+Na"	64.015768
"1719288"	478.233593	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+NH4+HCOOH"	64.039293
"1185736"	161.053984666667	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+3Na"	68.967654
"1654534"	483.188988	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Na+HCOOH"	68.994688
"167955"	905.30764	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+2K-H"	76.91904
"610796"	1319.50194	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+2K-H"	76.91904
"1098346"	491.11334	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2K-H"	76.91904
"153217"	453.157458	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"2M+2K"	77.926316
"592781"	660.254608	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"3M+2K"	77.926316
"1072918"	246.060308	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2K"	77.926316
"1106127"	493.127892	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2K+H"	78.933592
"1339232"	493.215507	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+DMSO+H"	79.021207
"1011042"	497.254676	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2ACN+H"	83.060376
"1528073"	498.248308	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+IsoProp+Na+H"	84.054008
"995617"	249.130976	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+2ACN+2H"	84.067652
"1595589"	499.162928	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+K+HCOOH"	84.968628
"1424530"	529.194438	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+H+CF3COOH"	115.000138
"1148620"	269.644251	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+3ACN+2H"	125.094202
"1698171"	546.220985	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+NH4+CF3COOH"	132.026685
"1640020"	551.17638	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+Na+CF3COOH"	136.98208
"1574578"	567.15032	"C18128"	"Naltrindole;NTI"	"C26H26N2O3"	"414.1943"	"M+K+CF3COOH"	152.95602
"807132"	661.3152	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M"	0
"986133"	642.29681	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-H2O-H"	-19.01839
"70003"	439.869524	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M-3H"	-3.021828
"512842"	660.307924	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M-3H"	-3.021828
"882989"	219.431124	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-3H"	-3.021828
"4844"	660.307924	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M-2H"	-2.014552
"453158"	990.965524	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M-2H"	-2.014552
"830958"	329.650324	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-2H"	-2.014552
"93746"	1321.623124	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M-H"	-1.007276
"531604"	1982.938324	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M-H"	-1.007276
"901752"	660.307924	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-H"	-1.007276
"58315"	1338.649671	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M-2H+NH4"	16.019271
"496782"	1999.964871	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M-2H+NH4"	16.019271
"871306"	677.334471	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-2H+NH4"	16.019271
"43585"	1343.605066	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M-2H+Na"	20.974666
"476583"	2004.920266	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M-2H+Na"	20.974666
"860949"	682.289866	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-2H+Na"	20.974666
"1632671"	682.289866	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Na-2H"	20.974666
"104823"	678.296263	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M-H+Cl"	33.962126
"540011"	1008.953863	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M-H+Cl"	33.962126
"936807"	347.638663	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-H+Cl"	33.962126
"274271"	1357.599802	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+Cl"	34.969402
"664503"	2018.915002	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+Cl"	34.969402
"1278000"	696.284602	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Cl"	34.969402
"21650"	1359.579006	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M-2H+K"	36.948606
"465587"	2020.894206	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M-2H+K"	36.948606
"845574"	698.263806	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-2H+K"	36.948606
"1569064"	698.263806	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+K-2H"	36.948606
"951481"	706.313394	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-H+HCOOH"	44.998194
"371884"	1367.628601	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+HCOOH-H"	44.998201
"351401"	1381.644251	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+Hac-H"	59.013851
"1500230"	720.329051	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Hac-H"	59.013851
"963397"	728.295351	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-H+NaCOOH"	66.980151
"115587"	696.284602	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+2Cl"	69.938804
"555511"	1026.942202	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+2Cl"	69.938804
"1026861"	365.627002	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2Cl"	69.938804
"1247532"	740.234085	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Br"	78.918885
"1309616"	742.290072	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Cl+HCOOH"	80.974872
"1323466"	764.272029	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Cl+NaCOOH"	102.956829
"917806"	774.300786	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M-H+CF3COOH"	112.985586
"1293419"	810.277464	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Cl+CF3COOH"	148.962264
"1368666"	626.302524	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H-2H2O"	-35.012676
"1391268"	644.3125	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H-H2O"	-17.0027
"297884"	1323.637676	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+H"	1.007276
"690916"	1984.952876	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+H"	1.007276
"1358270"	662.322476	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H"	1.007276
"133711"	662.322476	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+2H"	2.014552
"577646"	992.980076	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+2H"	2.014552
"1046080"	331.664876	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2H"	2.014552
"215804"	441.884076	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+3H"	3.021828
"656820"	662.322476	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+3H"	3.021828
"1172030"	221.445676	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+3H"	3.021828
"433115"	1340.664223	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+NH4"	18.033823
"789738"	2001.979423	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+NH4"	18.033823
"1687161"	679.349023	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+NH4"	18.033823
"336533"	670.8357495	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+H+NH4"	19.041099
"732237"	1001.4933495	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+H+NH4"	19.041099
"1488247"	340.1781495	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H+NH4"	19.041099
"406197"	1345.619618	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+Na"	22.989218
"764642"	2006.934818	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+Na"	22.989218
"1616022"	684.304418	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Na"	22.989218
"323871"	673.313447	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+H+Na"	23.996494
"719209"	1003.971047	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+H+Na"	23.996494
"1469019"	342.655847	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H+Na"	23.996494
"1058981"	228.77299	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2H+Na"	25.00377
"1265033"	694.348686	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+CH3OH+H"	33.033486
"381427"	1361.593558	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+K"	38.963158
"750080"	2022.908758	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+K"	38.963158
"1551038"	700.278358	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+K"	38.963158
"313320"	681.300417	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+H+K"	39.970434
"700637"	1011.958017	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+H+K"	39.970434
"1452270"	350.642817	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H+K"	39.970434
"247436"	1364.664226	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+ACN+H"	42.033826
"1221235"	703.349026	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+ACN+H"	42.033826
"1206215"	352.178151	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+ACN+2H"	43.041102
"196901"	1367.60156	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+2Na-H"	44.97116
"638649"	2028.91676	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+2Na-H"	44.97116
"1145434"	706.28636	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2Na-H"	44.97116
"179977"	684.304418	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+2Na"	45.978436
"618443"	1014.962018	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+2Na"	45.978436
"1124135"	353.646818	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2Na"	45.978436
"1402193"	236.100304	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H+2Na"	46.985712
"1443066"	708.327946	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H+HCOOH"	47.012746
"231300"	689.33744	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+3H2O+2H"	56.04448
"1519731"	722.37999	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+IsoProp+H"	61.06479
"417593"	692.291388	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+Na+K"	61.952376
"775675"	1022.948988	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+Na+K"	61.952376
"1676752"	361.633788	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Na+K"	61.952376
"261082"	1386.646168	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+ACN+Na"	64.015768
"1233792"	725.330968	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+ACN+Na"	64.015768
"1724864"	725.354493	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+NH4+HCOOH"	64.039293
"1184751"	243.427618	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+3Na"	68.967654
"1662298"	730.309888	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Na+HCOOH"	68.994688
"168065"	1399.54944	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+2K-H"	76.91904
"604347"	2060.86464	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+2K-H"	76.91904
"1094326"	738.23424	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2K-H"	76.91904
"154793"	700.278358	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"2M+2K"	77.926316
"594836"	1030.935958	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"3M+2K"	77.926316
"1081778"	369.620758	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2K"	77.926316
"1109519"	740.248792	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2K+H"	78.933592
"1341528"	740.336407	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+DMSO+H"	79.021207
"1011153"	744.375576	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2ACN+H"	83.060376
"1527090"	745.369208	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+IsoProp+Na+H"	84.054008
"1003268"	372.691426	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+2ACN+2H"	84.067652
"1597886"	746.283828	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+K+HCOOH"	84.968628
"1415040"	776.315338	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+H+CF3COOH"	115.000138
"1148363"	393.204701	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+3ACN+2H"	125.094202
"1697348"	793.341885	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+NH4+CF3COOH"	132.026685
"1640130"	798.29728	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+Na+CF3COOH"	136.98208
"1576878"	814.27122	"C18130"	"Norbinaltorphimine;norBNI"	"C40H43N3O6"	"661.3152"	"M+K+CF3COOH"	152.95602
"807242"	274.1569	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M"	0
"984057"	255.13851	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-H2O-H"	-19.01839
"70114"	181.763990666667	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M-3H"	-3.021828
"514046"	273.149624	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M-3H"	-3.021828
"886380"	90.3783573333333	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-3H"	-3.021828
"7141"	273.149624	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M-2H"	-2.014552
"449625"	410.228074	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M-2H"	-2.014552
"830704"	136.071174	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-2H"	-2.014552
"91062"	547.306524	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M-H"	-1.007276
"532081"	821.463424	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M-H"	-1.007276
"902955"	273.149624	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-H"	-1.007276
"58425"	564.333071	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M-2H+NH4"	16.019271
"495799"	838.489971	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M-2H+NH4"	16.019271
"869229"	290.176171	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-2H+NH4"	16.019271
"39320"	569.288466	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M-2H+Na"	20.974666
"477786"	843.445366	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M-2H+Na"	20.974666
"861789"	295.131566	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-2H+Na"	20.974666
"1632417"	295.131566	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Na-2H"	20.974666
"106026"	291.137963	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M-H+Cl"	33.962126
"537934"	428.216413	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M-H+Cl"	33.962126
"934730"	154.059513	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-H+Cl"	33.962126
"276568"	583.283202	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+Cl"	34.969402
"664613"	857.440102	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+Cl"	34.969402
"1278110"	309.126302	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Cl"	34.969402
"18601"	585.262406	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M-2H+K"	36.948606
"466789"	859.419306	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M-2H+K"	36.948606
"839123"	311.105506	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-2H+K"	36.948606
"1566988"	311.105506	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+K-2H"	36.948606
"947215"	319.155094	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-H+HCOOH"	44.998194
"370901"	593.312001	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+HCOOH-H"	44.998201
"351510"	607.327651	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+Hac-H"	59.013851
"1497788"	333.170751	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Hac-H"	59.013851
"963871"	341.137051	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-H+NaCOOH"	66.980151
"116788"	309.126302	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+2Cl"	69.938804
"554890"	446.204752	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+2Cl"	69.938804
"1025147"	172.047852	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2Cl"	69.938804
"1245456"	353.075785	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Br"	78.918885
"1307538"	355.131772	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Cl+HCOOH"	80.974872
"1323577"	377.113729	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Cl+NaCOOH"	102.956829
"917917"	387.142486	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M-H+CF3COOH"	112.985586
"1295716"	423.119164	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Cl+CF3COOH"	148.962264
"1367682"	239.144224	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H-2H2O"	-35.012676
"1390285"	257.1542	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H-H2O"	-17.0027
"294714"	549.321076	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+H"	1.007276
"685313"	823.477976	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+H"	1.007276
"1356557"	275.164176	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H"	1.007276
"131634"	275.164176	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+2H"	2.014552
"573381"	412.242626	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+2H"	2.014552
"1048012"	138.085726	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2H"	2.014552
"213360"	183.778542666667	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+3H"	3.021828
"658023"	275.164176	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+3H"	3.021828
"1171046"	92.3929093333333	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+3H"	3.021828
"433225"	566.347623	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+NH4"	18.033823
"790940"	840.504523	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+NH4"	18.033823
"1686176"	292.190723	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+NH4"	18.033823
"339923"	283.6774495	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+H+NH4"	19.041099
"732345"	420.7558995	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+H+NH4"	19.041099
"1486169"	146.5989995	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H+NH4"	19.041099
"407036"	571.303018	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+Na"	22.989218
"763655"	845.459918	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+Na"	22.989218
"1609571"	297.146118	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Na"	22.989218
"321795"	286.155147	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+H+Na"	23.996494
"719319"	423.233597	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+H+Na"	23.996494
"1469130"	149.076697	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H+Na"	23.996494
"1060186"	99.7202233333333	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2H+Na"	25.00377
"1265146"	307.190386	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+CH3OH+H"	33.033486
"382630"	587.276958	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+K"	38.963158
"749097"	861.433858	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+K"	38.963158
"1547868"	313.120058	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+K"	38.963158
"312337"	294.142117	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+H+K"	39.970434
"699654"	431.220567	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+H+K"	39.970434
"1452380"	157.063667	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H+K"	39.970434
"245360"	590.347626	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+ACN+H"	42.033826
"1220252"	316.190726	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+ACN+H"	42.033826
"1203046"	158.599001	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+ACN+2H"	43.041102
"197011"	593.28496	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+2Na-H"	44.97116
"638759"	867.44186	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+2Na-H"	44.97116
"1141172"	319.12806	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2Na-H"	44.97116
"180088"	297.146118	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+2Na"	45.978436
"618556"	434.224568	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+2Na"	45.978436
"1124247"	160.067668	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2Na"	45.978436
"1403396"	107.047537333333	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H+2Na"	46.985712
"1443903"	321.169646	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H+HCOOH"	47.012746
"229588"	302.17914	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+3H2O+2H"	56.04448
"1522393"	335.22169	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+IsoProp+H"	61.06479
"420618"	305.133088	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+Na+K"	61.952376
"777242"	442.211538	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+Na+K"	61.952376
"1677956"	168.054638	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Na+K"	61.952376
"261192"	612.329568	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+ACN+Na"	64.015768
"1233902"	338.172668	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+ACN+Na"	64.015768
"1726068"	338.196193	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+NH4+HCOOH"	64.039293
"1184861"	114.374851333333	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+3Na"	68.967654
"1662408"	343.151588	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Na+HCOOH"	68.994688
"170362"	625.23284	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+2K-H"	76.91904
"603364"	899.38974	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+2K-H"	76.91904
"1094436"	351.07594	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2K-H"	76.91904
"154536"	313.120058	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"2M+2K"	77.926316
"596039"	450.198508	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"3M+2K"	77.926316
"1080794"	176.041608	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2K"	77.926316
"1108535"	353.090492	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2K+H"	78.933592
"1340545"	353.178107	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+DMSO+H"	79.021207
"1012356"	357.217276	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2ACN+H"	83.060376
"1530481"	358.210908	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+IsoProp+Na+H"	84.054008
"1004587"	179.112276	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+2ACN+2H"	84.067652
"1597997"	359.125528	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+K+HCOOH"	84.968628
"1414908"	389.157038	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+H+CF3COOH"	115.000138
"1148840"	199.625551	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+3ACN+2H"	125.094202
"1697661"	406.183585	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+NH4+CF3COOH"	132.026685
"1640240"	411.13898	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+Na+CF3COOH"	136.98208
"1576988"	427.11292	"C18131"	"Geranyl-hydroxybenzoate"	"C17H22O3"	"274.1569"	"M+K+CF3COOH"	152.95602
"813913"	262.1569	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M"	0
"984168"	243.13851	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-H2O-H"	-19.01839
"73506"	173.763990666667	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M-3H"	-3.021828
"511972"	261.149624	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M-3H"	-3.021828
"890867"	86.3783573333333	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-3H"	-3.021828
"13453"	261.149624	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M-2H"	-2.014552
"450099"	392.228074	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M-2H"	-2.014552
"828996"	130.071174	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-2H"	-2.014552
"89718"	523.306524	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M-H"	-1.007276
"527454"	785.463424	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M-H"	-1.007276
"906347"	261.149624	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-H"	-1.007276
"55256"	540.333071	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M-2H+NH4"	16.019271
"498098"	802.489971	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M-2H+NH4"	16.019271
"866059"	278.176171	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-2H+NH4"	16.019271
"38337"	545.288466	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M-2H+Na"	20.974666
"473644"	807.445366	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M-2H+Na"	20.974666
"862992"	283.131566	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-2H+Na"	20.974666
"1632889"	283.131566	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Na-2H"	20.974666
"107961"	279.137963	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M-H+Cl"	33.962126
"540231"	410.216413	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M-H+Cl"	33.962126
"934840"	148.059513	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-H+Cl"	33.962126
"279958"	559.283202	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+Cl"	34.969402
"664724"	821.440102	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+Cl"	34.969402
"1280409"	297.126302	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Cl"	34.969402
"22965"	561.262406	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M-2H+K"	36.948606
"467995"	823.419306	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M-2H+K"	36.948606
"843610"	299.105506	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-2H+K"	36.948606
"1566005"	299.105506	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+K-2H"	36.948606
"948419"	307.155094	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-H+HCOOH"	44.998194
"372104"	569.312001	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+HCOOH-H"	44.998201
"348701"	583.327651	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+Hac-H"	59.013851
"1499356"	321.170751	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Hac-H"	59.013851
"960700"	329.137051	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-H+NaCOOH"	66.980151
"111427"	297.126302	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+2Cl"	69.938804
"553541"	428.204752	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+2Cl"	69.938804
"1025257"	166.047852	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2Cl"	69.938804
"1244836"	341.075785	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Br"	78.918885
"1306190"	343.131772	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Cl+HCOOH"	80.974872
"1329154"	365.113729	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Cl+NaCOOH"	102.956829
"923491"	375.142486	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M-H+CF3COOH"	112.985586
"1294732"	411.119164	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Cl+CF3COOH"	148.962264
"1369979"	227.144224	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H-2H2O"	-35.012676
"1392582"	245.1542	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H-H2O"	-17.0027
"294824"	525.321076	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+H"	1.007276
"687246"	787.477976	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+H"	1.007276
"1361406"	263.164176	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H"	1.007276
"128464"	263.164176	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+2H"	2.014552
"570211"	394.242626	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+2H"	2.014552
"1046300"	132.085726	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2H"	2.014552
"211284"	175.778542666667	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+3H"	3.021828
"654490"	263.164176	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+3H"	3.021828
"1174436"	88.3929093333333	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+3H"	3.021828
"433335"	542.347623	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+NH4"	18.033823
"792144"	804.504523	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+NH4"	18.033823
"1688473"	280.190723	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+NH4"	18.033823
"339305"	271.6774495	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+H+NH4"	19.041099
"735374"	402.7558995	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+H+NH4"	19.041099
"1485187"	140.5989995	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H+NH4"	19.041099
"406783"	547.303018	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+Na"	22.989218
"764495"	809.459918	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+Na"	22.989218
"1609680"	285.146118	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Na"	22.989218
"319717"	274.155147	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+H+Na"	23.996494
"716511"	405.233597	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+H+Na"	23.996494
"1471791"	143.076697	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H+Na"	23.996494
"1059202"	95.7202233333333	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2H+Na"	25.00377
"1264160"	295.190386	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+CH3OH+H"	33.033486
"382740"	563.276958	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+K"	38.963158
"749936"	825.433858	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+K"	38.963158
"1552717"	301.120058	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+K"	38.963158
"304061"	282.142117	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+H+K"	39.970434
"703044"	413.220567	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+H+K"	39.970434
"1457959"	151.063667	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H+K"	39.970434
"246558"	566.347626	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+ACN+H"	42.033826
"1219268"	304.190726	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+ACN+H"	42.033826
"1204249"	152.599001	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+ACN+2H"	43.041102
"196027"	569.28496	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+2Na-H"	44.97116
"639962"	831.44186	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+2Na-H"	44.97116
"1140187"	307.12806	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2Na-H"	44.97116
"176918"	285.146118	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+2Na"	45.978436
"617573"	416.224568	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+2Na"	45.978436
"1124358"	154.067668	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2Na"	45.978436
"1404600"	103.047537333333	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H+2Na"	46.985712
"1432346"	309.169646	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H+HCOOH"	47.012746
"229698"	290.17914	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+3H2O+2H"	56.04448
"1522501"	323.22169	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+IsoProp+H"	61.06479
"421823"	293.133088	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+Na+K"	61.952376
"779542"	424.211538	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+Na+K"	61.952376
"1673686"	162.054638	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Na+K"	61.952376
"265555"	588.329568	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+ACN+Na"	64.015768
"1236197"	326.172668	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+ACN+Na"	64.015768
"1723990"	326.196193	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+NH4+HCOOH"	64.039293
"1188251"	110.374851333333	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+3Na"	68.967654
"1665435"	331.151588	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Na+HCOOH"	68.994688
"172746"	601.23284	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+2K-H"	76.91904
"610034"	863.38974	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+2K-H"	76.91904
"1097827"	339.07594	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2K-H"	76.91904
"156590"	301.120058	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"2M+2K"	77.926316
"594205"	432.198508	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"3M+2K"	77.926316
"1077624"	170.041608	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2K"	77.926316
"1111927"	341.090492	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2K+H"	78.933592
"1345029"	341.178107	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+DMSO+H"	79.021207
"1013560"	345.217276	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2ACN+H"	83.060376
"1530591"	346.210908	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+IsoProp+Na+H"	84.054008
"999230"	173.112276	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+2ACN+2H"	84.067652
"1600296"	347.125528	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+K+HCOOH"	84.968628
"1421579"	377.157038	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+H+CF3COOH"	115.000138
"1149680"	193.625551	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+3ACN+2H"	125.094202
"1697409"	394.183585	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+NH4+CF3COOH"	132.026685
"1639256"	399.13898	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+Na+CF3COOH"	136.98208
"1586939"	415.11292	"C18132"	"3-Hydroxy-geranylhydroquinone"	"C16H22O3"	"262.1569"	"M+K+CF3COOH"	152.95602
"807462"	272.1049	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M"	0
"984278"	253.08651	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-H2O-H"	-19.01839
"71429"	180.395990666667	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M-3H"	-3.021828
"510988"	271.097624	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M-3H"	-3.021828
"889885"	89.6943573333333	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-3H"	-3.021828
"8461"	271.097624	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M-2H"	-2.014552
"448022"	407.150074	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M-2H"	-2.014552
"819265"	135.045174	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-2H"	-2.014552
"84722"	543.202524	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M-H"	-1.007276
"522095"	815.307424	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M-H"	-1.007276
"898803"	271.097624	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-H"	-1.007276
"50991"	560.229071	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M-2H+NH4"	16.019271
"488367"	832.333971	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M-2H+NH4"	16.019271
"864282"	288.124171	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-2H+NH4"	16.019271
"35166"	565.184466	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M-2H+Na"	20.974666
"472781"	837.289366	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M-2H+Na"	20.974666
"862009"	293.079566	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-2H+Na"	20.974666
"1630692"	293.079566	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Na-2H"	20.974666
"102969"	289.085963	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M-H+Cl"	33.962126
"537061"	425.138413	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M-H+Cl"	33.962126
"928025"	153.033513	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-H+Cl"	33.962126
"269498"	579.179202	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+Cl"	34.969402
"659952"	851.284102	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+Cl"	34.969402
"1276146"	307.074302	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Cl"	34.969402
"20890"	581.158406	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M-2H+K"	36.948606
"459359"	853.263306	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M-2H+K"	36.948606
"836430"	309.053506	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-2H+K"	36.948606
"1556637"	309.053506	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+K-2H"	36.948606
"945248"	317.103094	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-H+HCOOH"	44.998194
"368934"	589.208001	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+HCOOH-H"	44.998201
"351728"	603.223651	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+Hac-H"	59.013851
"1496186"	331.118751	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Hac-H"	59.013851
"958573"	339.085051	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-H+NaCOOH"	66.980151
"110091"	307.074302	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+2Cl"	69.938804
"555109"	443.126752	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+2Cl"	69.938804
"1025367"	171.021852	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2Cl"	69.938804
"1243853"	351.023785	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Br"	78.918885
"1304389"	353.079772	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Cl+HCOOH"	80.974872
"1325253"	375.061729	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Cl+NaCOOH"	102.956829
"915218"	385.090486	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M-H+CF3COOH"	112.985586
"1289010"	421.067164	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Cl+CF3COOH"	148.962264
"1369725"	237.092224	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H-2H2O"	-35.012676
"1393785"	255.1022	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H-H2O"	-17.0027
"295298"	545.217076	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+H"	1.007276
"687720"	817.321976	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+H"	1.007276
"1361516"	273.112176	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H"	1.007276
"127845"	273.112176	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+2H"	2.014552
"570321"	409.164626	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+2H"	2.014552
"1046774"	137.059726	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2H"	2.014552
"216134"	182.410542666667	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+3H"	3.021828
"655694"	273.112176	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+3H"	3.021828
"1171267"	91.7089093333333	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+3H"	3.021828
"434540"	562.243623	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+NH4"	18.033823
"795170"	834.348523	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+NH4"	18.033823
"1688584"	290.138723	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+NH4"	18.033823
"339781"	281.6254495	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+H+NH4"	19.041099
"735484"	417.6778995	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+H+NH4"	19.041099
"1488577"	145.5729995	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H+NH4"	19.041099
"406528"	567.199018	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+Na"	22.989218
"766062"	839.303918	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+Na"	22.989218
"1609790"	295.094118	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Na"	22.989218
"318734"	284.103147	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+H+Na"	23.996494
"715529"	420.155597	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+H+Na"	23.996494
"1474087"	148.050697	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H+Na"	23.996494
"1058219"	99.0362233333333	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2H+Na"	25.00377
"1264270"	305.138386	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+CH3OH+H"	33.033486
"382850"	583.172958	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+K"	38.963158
"747130"	855.277858	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+K"	38.963158
"1548088"	311.068058	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+K"	38.963158
"307087"	292.090117	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+H+K"	39.970434
"699873"	428.142567	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+H+K"	39.970434
"1454786"	156.037667	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H+K"	39.970434
"241202"	586.243626	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+ACN+H"	42.033826
"1217192"	314.138726	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+ACN+H"	42.033826
"1203266"	157.573001	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+ACN+2H"	43.041102
"193951"	589.18096	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+2Na-H"	44.97116
"634605"	861.28586	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+2Na-H"	44.97116
"1138108"	317.07606	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2Na-H"	44.97116
"176055"	295.094118	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+2Na"	45.978436
"615494"	431.146568	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+2Na"	45.978436
"1119121"	159.041668	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2Na"	45.978436
"1402522"	106.363537333333	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H+2Na"	46.985712
"1431484"	319.117646	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H+HCOOH"	47.012746
"226527"	300.12714	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+3H2O+2H"	56.04448
"1521882"	333.16969	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+IsoProp+H"	61.06479
"419745"	303.081088	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+Na+K"	61.952376
"780745"	439.133538	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+Na+K"	61.952376
"1673796"	167.028638	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Na+K"	61.952376
"260316"	608.225568	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+ACN+Na"	64.015768
"1234120"	336.120668	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+ACN+Na"	64.015768
"1717539"	336.144193	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+NH4+HCOOH"	64.039293
"1185081"	113.690851333333	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+3Na"	68.967654
"1660441"	341.099588	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Na+HCOOH"	68.994688
"170582"	621.12884	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+2K-H"	76.91904
"600303"	893.23374	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+2K-H"	76.91904
"1093563"	349.02394	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2K-H"	76.91904
"151475"	311.068058	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"2M+2K"	77.926316
"588847"	447.120508	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"3M+2K"	77.926316
"1074453"	175.015608	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2K"	77.926316
"1107661"	351.038492	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2K+H"	78.933592
"1340766"	351.126107	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+DMSO+H"	79.021207
"1012576"	355.165276	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2ACN+H"	83.060376
"1528514"	356.158908	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+IsoProp+Na+H"	84.054008
"993872"	178.086276	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+2ACN+2H"	84.067652
"1594936"	357.073528	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+K+HCOOH"	84.968628
"1415127"	387.105038	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+H+CF3COOH"	115.000138
"1149055"	198.599551	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+3ACN+2H"	125.094202
"1697633"	404.131585	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+NH4+CF3COOH"	132.026685
"1634196"	409.08698	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+Na+CF3COOH"	136.98208
"1577208"	425.06092	"C18133"	"Deoxyshikonin"	"C16H16O4"	"272.1049"	"M+K+CF3COOH"	152.95602
"807572"	258.1256	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M"	0
"987668"	239.10721	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-H2O-H"	-19.01839
"74819"	171.076457333333	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M-3H"	-3.021828
"508912"	257.118324	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M-3H"	-3.021828
"888901"	85.0345906666667	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-3H"	-3.021828
"11851"	257.118324	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M-2H"	-2.014552
"447038"	386.181124	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M-2H"	-2.014552
"818281"	128.055524	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-2H"	-2.014552
"81552"	515.243924	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M-H"	-1.007276
"522205"	773.369524	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M-H"	-1.007276
"901100"	257.118324	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-H"	-1.007276
"47942"	532.270471	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M-2H+NH4"	16.019271
"487503"	790.396071	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M-2H+NH4"	16.019271
"864939"	274.144871	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-2H+NH4"	16.019271
"32230"	537.225866	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M-2H+Na"	20.974666
"472764"	795.351466	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M-2H+Na"	20.974666
"863093"	279.100266	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-2H+Na"	20.974666
"1630923"	279.100266	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Na-2H"	20.974666
"103079"	275.106663	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M-H+Cl"	33.962126
"537171"	404.169463	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M-H+Cl"	33.962126
"932874"	146.043863	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-H+Cl"	33.962126
"271795"	551.220602	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+Cl"	34.969402
"661419"	809.346202	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+Cl"	34.969402
"1275891"	293.095002	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Cl"	34.969402
"19177"	553.199806	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M-2H+K"	36.948606
"458375"	811.325406	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M-2H+K"	36.948606
"837270"	295.074206	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-2H+K"	36.948606
"1559662"	295.074206	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+K-2H"	36.948606
"946451"	303.123794	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-H+HCOOH"	44.998194
"369044"	561.249401	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+HCOOH-H"	44.998201
"351838"	575.265051	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+Hac-H"	59.013851
"1498483"	317.139451	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Hac-H"	59.013851
"959460"	325.105751	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-H+NaCOOH"	66.980151
"110919"	293.095002	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+2Cl"	69.938804
"555583"	422.157802	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+2Cl"	69.938804
"1025841"	164.032202	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2Cl"	69.938804
"1243597"	337.044485	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Br"	78.918885
"1304584"	339.100472	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Cl+HCOOH"	80.974872
"1323541"	361.082429	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Cl+NaCOOH"	102.956829
"913505"	371.111186	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M-H+CF3COOH"	112.985586
"1290940"	407.087864	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Cl+CF3COOH"	148.962264
"1368012"	223.112924	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H-2H2O"	-35.012676
"1393895"	241.1229	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H-H2O"	-17.0027
"295773"	517.258476	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+H"	1.007276
"687830"	775.384076	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+H"	1.007276
"1361990"	259.132876	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H"	1.007276
"130871"	259.132876	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+2H"	2.014552
"573711"	388.195676	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+2H"	2.014552
"1046884"	130.070076	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2H"	2.014552
"216972"	173.091009333333	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+3H"	3.021828
"656532"	259.132876	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+3H"	3.021828
"1171377"	87.0491426666667	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+3H"	3.021828
"434650"	534.285023	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+NH4"	18.033823
"795280"	792.410623	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+NH4"	18.033823
"1689787"	276.159423	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+NH4"	18.033823
"340255"	267.6461495	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+H+NH4"	19.041099
"737416"	396.7089495	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+H+NH4"	19.041099
"1489780"	138.5833495	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H+NH4"	19.041099
"407002"	539.240418	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+Na"	22.989218
"766172"	797.366018	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+Na"	22.989218
"1614274"	281.114818	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Na"	22.989218
"324310"	270.123847	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+H+Na"	23.996494
"720012"	399.186647	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+H+Na"	23.996494
"1475776"	141.061047	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H+Na"	23.996494
"1062703"	94.3764566666667	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2H+Na"	25.00377
"1271793"	291.159086	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+CH3OH+H"	33.033486
"380040"	555.214358	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+K"	38.963158
"745053"	813.339958	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+K"	38.963158
"1548198"	297.088758	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+K"	38.963158
"306468"	278.110817	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+H+K"	39.970434
"698890"	407.173617	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+H+K"	39.970434
"1453803"	149.048017	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H+K"	39.970434
"243497"	558.285026	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+ACN+H"	42.033826
"1220581"	300.159426	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+ACN+H"	42.033826
"1202281"	150.583351	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+ACN+2H"	43.041102
"196248"	561.22236	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+2Na-H"	44.97116
"634714"	819.34796	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+2Na-H"	44.97116
"1138218"	303.09676	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2Na-H"	44.97116
"177138"	281.114818	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+2Na"	45.978436
"616697"	410.177618	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+2Na"	45.978436
"1120205"	152.052018	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2Na"	45.978436
"1403726"	101.703770666667	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H+2Na"	46.985712
"1431473"	305.138346	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H+HCOOH"	47.012746
"224451"	286.14784	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+3H2O+2H"	56.04448
"1521263"	319.19039	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+IsoProp+H"	61.06479
"418762"	289.101788	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+Na+K"	61.952376
"784381"	418.164588	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+Na+K"	61.952376
"1672813"	160.038988	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Na+K"	61.952376
"261520"	580.266968	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+ACN+Na"	64.015768
"1237510"	322.141368	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+ACN+Na"	64.015768
"1719836"	322.164893	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+NH4+HCOOH"	64.039293
"1183004"	109.031084666667	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+3Na"	68.967654
"1660551"	327.120288	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Na+HCOOH"	68.994688
"170691"	593.17024	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+2K-H"	76.91904
"603693"	851.29584	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+2K-H"	76.91904
"1094766"	335.04464	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2K-H"	76.91904
"151585"	297.088758	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"2M+2K"	77.926316
"586770"	426.151558	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"3M+2K"	77.926316
"1076750"	168.025958	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2K"	77.926316
"1107771"	337.059192	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2K+H"	78.933592
"1347436"	337.146807	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+DMSO+H"	79.021207
"1013779"	341.185976	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2ACN+H"	83.060376
"1528624"	342.179608	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+IsoProp+Na+H"	84.054008
"997262"	171.096626	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+2ACN+2H"	84.067652
"1598327"	343.094228	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+K+HCOOH"	84.968628
"1415359"	373.125738	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+H+CF3COOH"	115.000138
"1147141"	191.609901	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+3ACN+2H"	125.094202
"1697257"	390.152285	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+NH4+CF3COOH"	132.026685
"1634213"	395.10768	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+Na+CF3COOH"	136.98208
"1578411"	411.08162	"C18134"	"Dihydroechinofuran"	"C16H18O3"	"258.1256"	"M+K+CF3COOH"	152.95602
"807682"	260.1412	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M"	0
"987777"	241.12281	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-H2O-H"	-19.01839
"72742"	172.420190666667	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M-3H"	-3.021828
"507929"	259.133924	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M-3H"	-3.021828
"890105"	85.7064573333333	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-3H"	-3.021828
"11961"	259.133924	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M-2H"	-2.014552
"443868"	389.204524	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M-2H"	-2.014552
"823858"	129.063324	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-2H"	-2.014552
"79959"	519.275124	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M-H"	-1.007276
"520492"	779.416324	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M-H"	-1.007276
"897202"	259.133924	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-H"	-1.007276
"49268"	536.301671	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M-2H+NH4"	16.019271
"488949"	796.442871	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M-2H+NH4"	16.019271
"866753"	276.160471	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-2H+NH4"	16.019271
"32220"	541.257066	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M-2H+Na"	20.974666
"476036"	801.398266	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M-2H+Na"	20.974666
"859310"	281.115866	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-2H+Na"	20.974666
"1629940"	281.115866	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Na-2H"	20.974666
"106105"	277.122263	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M-H+Cl"	33.962126
"540561"	407.192863	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M-H+Cl"	33.962126
"932984"	147.051663	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-H+Cl"	33.962126
"273728"	555.251802	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+Cl"	34.969402
"661287"	815.393002	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+Cl"	34.969402
"1278553"	295.110602	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Cl"	34.969402
"20017"	557.231006	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M-2H+K"	36.948606
"460672"	817.372206	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M-2H+K"	36.948606
"839566"	297.089806	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-2H+K"	36.948606
"1560868"	297.089806	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+K-2H"	36.948606
"948750"	305.139394	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-H+HCOOH"	44.998194
"364780"	565.280601	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+HCOOH-H"	44.998201
"349761"	579.296251	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+Hac-H"	59.013851
"1495675"	319.155051	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Hac-H"	59.013851
"959692"	327.121351	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-H+NaCOOH"	66.980151
"110664"	295.110602	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+2Cl"	69.938804
"551197"	425.181202	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+2Cl"	69.938804
"1022058"	165.040002	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2Cl"	69.938804
"1242613"	339.060085	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Br"	78.918885
"1305425"	341.116072	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Cl+HCOOH"	80.974872
"1320369"	363.098029	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Cl+NaCOOH"	102.956829
"913617"	373.126786	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M-H+CF3COOH"	112.985586
"1291050"	409.103464	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Cl+CF3COOH"	148.962264
"1368486"	225.128524	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H-2H2O"	-35.012676
"1385984"	243.1385	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H-H2O"	-17.0027
"296976"	521.289676	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+H"	1.007276
"689401"	781.430876	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+H"	1.007276
"1362465"	261.148476	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H"	1.007276
"134263"	261.148476	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+2H"	2.014552
"574915"	391.219076	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+2H"	2.014552
"1046996"	131.077876	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2H"	2.014552
"217083"	174.434742666667	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+3H"	3.021828
"657371"	261.148476	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+3H"	3.021828
"1174406"	87.7210093333334	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+3H"	3.021828
"434761"	538.316223	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+NH4"	18.033823
"789195"	798.457423	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+NH4"	18.033823
"1689897"	278.175023	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+NH4"	18.033823
"340365"	269.6617495	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+H+NH4"	19.041099
"737526"	399.7323495	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+H+NH4"	19.041099
"1489891"	139.5911495	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H+NH4"	19.041099
"406384"	543.271618	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+Na"	22.989218
"765191"	803.412818	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+Na"	22.989218
"1615478"	283.130418	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Na"	22.989218
"327699"	272.139447	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+H+Na"	23.996494
"722758"	402.210047	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+H+Na"	23.996494
"1475643"	142.068847	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H+Na"	23.996494
"1066092"	95.0483233333333	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2H+Na"	25.00377
"1269958"	293.174686	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+CH3OH+H"	33.033486
"381974"	559.245558	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+K"	38.963158
"745163"	819.386758	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+K"	38.963158
"1548308"	299.104358	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+K"	38.963158
"306578"	280.126417	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+H+K"	39.970434
"702280"	410.197017	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+H+K"	39.970434
"1457193"	150.055817	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H+K"	39.970434
"243607"	562.316226	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+ACN+H"	42.033826
"1223971"	302.175026	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+ACN+H"	42.033826
"1203485"	151.591151	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+ACN+2H"	43.041102
"196359"	565.25356	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+2Na-H"	44.97116
"635919"	825.39476	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+2Na-H"	44.97116
"1139421"	305.11236	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2Na-H"	44.97116
"179435"	283.130418	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+2Na"	45.978436
"615713"	413.201018	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+2Na"	45.978436
"1120313"	153.059818	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2Na"	45.978436
"1404931"	102.375637333333	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H+2Na"	46.985712
"1431583"	307.153946	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H+HCOOH"	47.012746
"222375"	288.16344	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+3H2O+2H"	56.04448
"1519186"	321.20599	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+IsoProp+H"	61.06479
"421791"	291.117388	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+Na+K"	61.952376
"778777"	421.187988	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+Na+K"	61.952376
"1674016"	161.046788	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Na+K"	61.952376
"260536"	584.298168	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+ACN+Na"	64.015768
"1237620"	324.156968	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+ACN+Na"	64.015768
"1722133"	324.180493	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+NH4+HCOOH"	64.039293
"1183114"	109.702951333333	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+3Na"	68.967654
"1657381"	329.135888	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Na+HCOOH"	68.994688
"167521"	597.20144	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+2K-H"	76.91904
"600523"	857.34264	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+2K-H"	76.91904
"1097063"	337.06024	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2K-H"	76.91904
"151695"	299.104358	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"2M+2K"	77.926316
"590160"	429.174958	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"3M+2K"	77.926316
"1079047"	169.033758	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2K"	77.926316
"1105695"	339.074792	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2K+H"	78.933592
"1344266"	339.162407	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+DMSO+H"	79.021207
"1017169"	343.201576	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2ACN+H"	83.060376
"1526547"	344.195208	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+IsoProp+Na+H"	84.054008
"994091"	172.104426	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+2ACN+2H"	84.067652
"1595156"	345.109828	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+K+HCOOH"	84.968628
"1416442"	375.141338	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+H+CF3COOH"	115.000138
"1147209"	192.617701	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+3ACN+2H"	125.094202
"1697024"	392.167885	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+NH4+CF3COOH"	132.026685
"1634393"	397.12328	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+Na+CF3COOH"	136.98208
"1578521"	413.09722	"C18135"	"Dihydroshikonofuran"	"C16H20O3"	"260.1412"	"M+K+CF3COOH"	152.95602
"807792"	797.2957	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M"	0
"987887"	778.27731	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-H2O-H"	-19.01839
"75038"	530.523190666667	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M-3H"	-3.021828
"512413"	796.288424	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M-3H"	-3.021828
"892402"	264.757957333333	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-3H"	-3.021828
"9884"	796.288424	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M-2H"	-2.014552
"446165"	1194.936274	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M-2H"	-2.014552
"826155"	397.640574	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-2H"	-2.014552
"83957"	1593.584124	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M-H"	-1.007276
"522426"	2390.879824	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M-H"	-1.007276
"899135"	796.288424	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-H"	-1.007276
"50229"	1610.610671	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M-2H+NH4"	16.019271
"490883"	2407.906371	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M-2H+NH4"	16.019271
"866621"	813.314971	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-2H+NH4"	16.019271
"34399"	1615.566066	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M-2H+Na"	20.974666
"478333"	2412.861766	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M-2H+Na"	20.974666
"856140"	818.270366	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-2H+Na"	20.974666
"1628957"	818.270366	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Na-2H"	20.974666
"105486"	814.276763	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M-H+Cl"	33.962126
"538485"	1212.924613	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M-H+Cl"	33.962126
"932001"	415.628913	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-H+Cl"	33.962126
"273838"	1629.560802	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+Cl"	34.969402
"661518"	2426.856502	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+Cl"	34.969402
"1276840"	832.265102	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Cl"	34.969402
"20127"	1631.540006	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M-2H+K"	36.948606
"460781"	2428.835706	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M-2H+K"	36.948606
"839676"	834.244306	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-2H+K"	36.948606
"1563164"	834.244306	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+K-2H"	36.948606
"949224"	842.293894	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-H+HCOOH"	44.998194
"368170"	1639.589601	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+HCOOH-H"	44.998201
"352054"	1653.605251	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+Hac-H"	59.013851
"1496517"	856.309551	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Hac-H"	59.013851
"965150"	864.275851	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-H+NaCOOH"	66.980151
"110894"	832.265102	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+2Cl"	69.938804
"550575"	1230.912952	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+2Cl"	69.938804
"1022896"	433.617252	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2Cl"	69.938804
"1242112"	876.214585	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Br"	78.918885
"1306628"	878.270572	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Cl+HCOOH"	80.974872
"1321939"	900.252529	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Cl+NaCOOH"	102.956829
"914821"	910.281286	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M-H+CF3COOH"	112.985586
"1291530"	946.257964	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Cl+CF3COOH"	148.962264
"1370055"	762.283024	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H-2H2O"	-35.012676
"1389374"	780.293	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H-H2O"	-17.0027
"289429"	1595.598676	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+H"	1.007276
"689145"	2392.894376	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+H"	1.007276
"1365493"	798.302976	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H"	1.007276
"134373"	798.302976	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+2H"	2.014552
"577213"	1196.950826	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+2H"	2.014552
"1047107"	399.655126	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2H"	2.014552
"215006"	532.537742666667	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+3H"	3.021828
"658941"	798.302976	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+3H"	3.021828
"1174517"	266.772509333333	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+3H"	3.021828
"435967"	1612.625223	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+NH4"	18.033823
"794773"	2409.920923	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+NH4"	18.033823
"1693289"	815.329523	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+NH4"	18.033823
"341569"	806.8162495	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+H+NH4"	19.041099
"733992"	1205.4640995	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+H+NH4"	19.041099
"1491095"	408.1683995	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H+NH4"	19.041099
"406494"	1617.580618	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+Na"	22.989218
"762022"	2414.876318	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+Na"	22.989218
"1617901"	820.284918	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Na"	22.989218
"328784"	809.293947	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+H+Na"	23.996494
"721207"	1207.941797	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+H+Na"	23.996494
"1475998"	410.646097	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H+Na"	23.996494
"1068193"	274.099823333333	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2H+Na"	25.00377
"1272708"	830.329186	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+CH3OH+H"	33.033486
"386456"	1633.554558	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+K"	38.963158
"741993"	2430.850258	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+K"	38.963158
"1546231"	836.258858	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+K"	38.963158
"306688"	817.280917	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+H+K"	39.970434
"704577"	1215.928767	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+H+K"	39.970434
"1461221"	418.633067	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H+K"	39.970434
"248091"	1636.625226	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+ACN+H"	42.033826
"1225258"	839.329526	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+ACN+H"	42.033826
"1206875"	420.168401	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+ACN+2H"	43.041102
"197562"	1639.56256	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+2Na-H"	44.97116
"639307"	2436.85826	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+2Na-H"	44.97116
"1141722"	842.26686	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2Na-H"	44.97116
"185011"	820.284918	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+2Na"	45.978436
"618010"	1218.932768	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+2Na"	45.978436
"1123702"	421.637068	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2Na"	45.978436
"1408322"	281.427137333333	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H+2Na"	46.985712
"1432786"	844.308446	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H+HCOOH"	47.012746
"224671"	825.31794	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+3H2O+2H"	56.04448
"1517110"	858.36049	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+IsoProp+H"	61.06479
"422629"	828.271888	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+Na+K"	61.952376
"778886"	1226.919738	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+Na+K"	61.952376
"1670845"	429.624038	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Na+K"	61.952376
"258459"	1658.607168	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+ACN+Na"	64.015768
"1234450"	861.311468	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+ACN+Na"	64.015768
"1716776"	861.334993	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+NH4+HCOOH"	64.039293
"1179944"	288.754451333333	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+3Na"	68.967654
"1656397"	866.290388	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Na+HCOOH"	68.994688
"167631"	1671.51044	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+2K-H"	76.91904
"600633"	2468.80614	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+2K-H"	76.91904
"1094986"	874.21474	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2K-H"	76.91904
"151805"	836.258858	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"2M+2K"	77.926316
"590270"	1234.906708	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"3M+2K"	77.926316
"1076970"	437.611008	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2K"	77.926316
"1105805"	876.229292	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2K+H"	78.933592
"1338909"	876.316907	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+DMSO+H"	79.021207
"1013999"	880.356076	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2ACN+H"	83.060376
"1527751"	881.349708	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+IsoProp+Na+H"	84.054008
"994200"	440.681676	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+2ACN+2H"	84.067652
"1591985"	882.264328	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+K+HCOOH"	84.968628
"1414320"	912.295838	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+H+CF3COOH"	115.000138
"1147440"	461.194951	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+3ACN+2H"	125.094202
"1698576"	929.322385	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+NH4+CF3COOH"	132.026685
"1634589"	934.27778	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+Na+CF3COOH"	136.98208
"1577538"	950.25172	"C18136"	"2-Adenylylgentamicin A"	"C28H48N9O16P"	"797.2957"	"M+K+CF3COOH"	152.95602
"814468"	637.5362	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M"	0
"989095"	618.51781	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-H2O-H"	-19.01839
"75152"	424.016857333333	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M-3H"	-3.021828
"515804"	636.528924	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M-3H"	-3.021828
"895572"	211.504790666667	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-3H"	-3.021828
"12182"	636.528924	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M-2H"	-2.014552
"447369"	955.297024	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M-2H"	-2.014552
"822985"	317.760824	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-2H"	-2.014552
"87350"	1274.065124	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M-H"	-1.007276
"522537"	1911.601324	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M-H"	-1.007276
"901432"	636.528924	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-H"	-1.007276
"49248"	1291.091671	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M-2H+NH4"	16.019271
"494276"	1928.627871	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M-2H+NH4"	16.019271
"869892"	653.555471	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-2H+NH4"	16.019271
"35604"	1296.047066	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M-2H+Na"	20.974666
"475164"	1933.583266	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M-2H+Na"	20.974666
"859536"	658.510866	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-2H+Na"	20.974666
"1629069"	658.510866	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Na-2H"	20.974666
"105597"	654.517263	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M-H+Cl"	33.962126
"542971"	973.285363	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M-H+Cl"	33.962126
"934298"	335.749163	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-H+Cl"	33.962126
"275042"	1310.041802	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+Cl"	34.969402
"662724"	1947.578002	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+Cl"	34.969402
"1276589"	672.505602	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Cl"	34.969402
"22425"	1312.021006	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M-2H+K"	36.948606
"464172"	1949.557206	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M-2H+K"	36.948606
"841972"	674.484806	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-2H+K"	36.948606
"1565460"	674.484806	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+K-2H"	36.948606
"948969"	682.534394	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-H+HCOOH"	44.998194
"371560"	1320.070601	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+HCOOH-H"	44.998201
"353257"	1334.086251	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+Hac-H"	59.013851
"1502095"	696.550051	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Hac-H"	59.013851
"969634"	704.516351	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-H+NaCOOH"	66.980151
"113074"	672.505602	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+2Cl"	69.938804
"553363"	991.273702	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+2Cl"	69.938804
"1022889"	353.737502	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2Cl"	69.938804
"1243561"	716.455085	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Br"	78.918885
"1305402"	718.511072	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Cl+HCOOH"	80.974872
"1327518"	740.493029	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Cl+NaCOOH"	102.956829
"914932"	750.521786	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M-H+CF3COOH"	112.985586
"1296380"	786.498464	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Cl+CF3COOH"	148.962264
"1370166"	602.523524	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H-2H2O"	-35.012676
"1387298"	620.5335	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H-H2O"	-17.0027
"296103"	1276.079676	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+H"	1.007276
"689986"	1913.615876	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+H"	1.007276
"1366212"	638.543476	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H"	1.007276
"138858"	638.543476	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+2H"	2.014552
"580607"	957.311576	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+2H"	2.014552
"1050134"	319.775376	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2H"	2.014552
"218401"	426.031409333333	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+3H"	3.021828
"656867"	638.543476	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+3H"	3.021828
"1177181"	213.519342666667	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+3H"	3.021828
"437174"	1293.106223	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+NH4"	18.033823
"800478"	1930.642423	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+NH4"	18.033823
"1695233"	655.570023	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+NH4"	18.033823
"343148"	647.0567495	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+H+NH4"	19.041099
"738390"	965.8248495	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+H+NH4"	19.041099
"1492548"	328.2886495	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H+NH4"	19.041099
"404416"	1298.061618	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+Na"	22.989218
"768701"	1935.597818	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+Na"	22.989218
"1616795"	660.525418	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Na"	22.989218
"328896"	649.534447	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+H+Na"	23.996494
"722047"	968.302547	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+H+Na"	23.996494
"1475867"	330.766347	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H+Na"	23.996494
"1068307"	220.846656666667	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2H+Na"	25.00377
"1271152"	670.569686	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+CH3OH+H"	33.033486
"387660"	1314.035558	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+K"	38.963158
"749757"	1951.571758	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+K"	38.963158
"1551809"	676.499358	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+K"	38.963158
"308986"	657.521417	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+H+K"	39.970434
"698128"	976.289517	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+H+K"	39.970434
"1461144"	338.753317	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H+K"	39.970434
"250394"	1317.106226	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+ACN+H"	42.033826
"1223104"	679.570026	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+ACN+H"	42.033826
"1206259"	340.288651	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+ACN+2H"	43.041102
"198765"	1320.04356	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+2Na-H"	44.97116
"639421"	1957.57976	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+2Na-H"	44.97116
"1144749"	682.50736	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2Na-H"	44.97116
"186217"	660.525418	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+2Na"	45.978436
"621400"	979.293518	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+2Na"	45.978436
"1127094"	341.757318	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2Na"	45.978436
"1406242"	228.173970666667	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H+2Na"	46.985712
"1432166"	684.548946	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H+HCOOH"	47.012746
"222595"	665.55844	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+3H2O+2H"	56.04448
"1521960"	698.60099	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+IsoProp+H"	61.06479
"421648"	668.512388	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+Na+K"	61.952376
"780090"	987.280488	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+Na+K"	61.952376
"1677520"	349.744288	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Na+K"	61.952376
"258571"	1339.088168	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+ACN+Na"	64.015768
"1231279"	701.551968	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+ACN+Na"	64.015768
"1721260"	701.575493	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+NH4+HCOOH"	64.039293
"1184428"	235.501284666667	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+3Na"	68.967654
"1658694"	706.530888	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Na+HCOOH"	68.994688
"166649"	1351.99144	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+2K-H"	76.91904
"601836"	1989.52764	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+2K-H"	76.91904
"1095096"	714.45524	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2K-H"	76.91904
"155193"	676.499358	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"2M+2K"	77.926316
"587100"	995.267458	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"3M+2K"	77.926316
"1077080"	357.731258	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2K"	77.926316
"1111383"	716.469792	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2K+H"	78.933592
"1345582"	716.557407	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+DMSO+H"	79.021207
"1018484"	720.596576	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2ACN+H"	83.060376
"1527861"	721.590208	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+IsoProp+Na+H"	84.054008
"999777"	360.801926	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+2ACN+2H"	84.067652
"1592094"	722.504828	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+K+HCOOH"	84.968628
"1416662"	752.536338	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+H+CF3COOH"	115.000138
"1147677"	381.315201	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+3ACN+2H"	125.094202
"1698078"	769.562885	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+NH4+CF3COOH"	132.026685
"1635065"	774.51828	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+Na+CF3COOH"	136.98208
"1577648"	790.49222	"C18137"	"224455-Hexabromodiphenyl ether;BDE 153"	"C12H4Br6O"	"637.5362"	"M+K+CF3COOH"	152.95602
"808012"	637.5362	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M"	0
"988475"	618.51781	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-H2O-H"	-19.01839
"77206"	424.016857333333	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M-3H"	-3.021828
"517859"	636.528924	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M-3H"	-3.021828
"894450"	211.504790666667	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-3H"	-3.021828
"13755"	636.528924	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M-2H"	-2.014552
"453680"	955.297024	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M-2H"	-2.014552
"831478"	317.760824	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-2H"	-2.014552
"90740"	1274.065124	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M-H"	-1.007276
"530302"	1911.601324	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M-H"	-1.007276
"905919"	636.528924	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-H"	-1.007276
"51545"	1291.091671	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M-2H+NH4"	16.019271
"494386"	1928.627871	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M-2H+NH4"	16.019271
"870002"	653.555471	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-2H+NH4"	16.019271
"41183"	1296.047066	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M-2H+Na"	20.974666
"481838"	1933.583266	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M-2H+Na"	20.974666
"862198"	658.510866	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-2H+Na"	20.974666
"1632460"	658.510866	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Na-2H"	20.974666
"107167"	654.517263	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M-H+Cl"	33.962126
"543081"	973.285363	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M-H+Cl"	33.962126
"938782"	335.749163	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-H+Cl"	33.962126
"276245"	1310.041802	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+Cl"	34.969402
"665021"	1947.578002	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+Cl"	34.969402
"1277792"	672.505602	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Cl"	34.969402
"24723"	1312.021006	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M-2H+K"	36.948606
"465376"	1949.557206	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M-2H+K"	36.948606
"839896"	674.484806	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-2H+K"	36.948606
"1561197"	674.484806	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+K-2H"	36.948606
"947982"	682.534394	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-H+HCOOH"	44.998194
"364742"	1320.070601	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+HCOOH-H"	44.998201
"355920"	1334.086251	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+Hac-H"	59.013851
"1505485"	696.550051	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Hac-H"	59.013851
"971930"	704.516351	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-H+NaCOOH"	66.980151
"112819"	672.505602	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+2Cl"	69.938804
"558212"	991.273702	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+2Cl"	69.938804
"1024097"	353.737502	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2Cl"	69.938804
"1244403"	716.455085	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Br"	78.918885
"1305393"	718.511072	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Cl+HCOOH"	80.974872
"1326536"	740.493029	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Cl+NaCOOH"	102.956829
"921968"	750.521786	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M-H+CF3COOH"	112.985586
"1299772"	786.498464	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Cl+CF3COOH"	148.962264
"1378660"	602.523524	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H-2H2O"	-35.012676
"1396523"	620.5335	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H-H2O"	-17.0027
"298036"	1276.079676	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+H"	1.007276
"690460"	1913.615876	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+H"	1.007276
"1366081"	638.543476	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H"	1.007276
"140064"	638.543476	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+2H"	2.014552
"579623"	957.311576	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+2H"	2.014552
"1047327"	319.775376	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2H"	2.014552
"218876"	426.031409333333	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+3H"	3.021828
"655883"	638.543476	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+3H"	3.021828
"1177656"	213.519342666667	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+3H"	3.021828
"439107"	1293.106223	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+NH4"	18.033823
"800468"	1930.642423	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+NH4"	18.033823
"1696924"	655.570023	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+NH4"	18.033823
"345412"	647.0567495	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+H+NH4"	19.041099
"738505"	965.8248495	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+H+NH4"	19.041099
"1492715"	328.2886495	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H+NH4"	19.041099
"403434"	1298.061618	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+Na"	22.989218
"769545"	1935.597818	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+Na"	22.989218
"1618373"	660.525418	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Na"	22.989218
"329925"	649.534447	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+H+Na"	23.996494
"722649"	968.302547	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+H+Na"	23.996494
"1476926"	330.766347	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H+Na"	23.996494
"1066427"	220.846656666667	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2H+Na"	25.00377
"1271264"	670.569686	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+CH3OH+H"	33.033486
"389960"	1314.035558	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+K"	38.963158
"747680"	1951.571758	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+K"	38.963158
"1554106"	676.499358	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+K"	38.963158
"309096"	657.521417	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+H+K"	39.970434
"705892"	976.289517	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+H+K"	39.970434
"1460441"	338.753317	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H+K"	39.970434
"250628"	1317.106226	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+ACN+H"	42.033826
"1225516"	679.570026	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+ACN+H"	42.033826
"1209685"	340.288651	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+ACN+2H"	43.041102
"202887"	1320.04356	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+2Na-H"	44.97116
"643784"	1957.57976	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+2Na-H"	44.97116
"1145596"	682.50736	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2Na-H"	44.97116
"188114"	660.525418	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+2Na"	45.978436
"626616"	979.293518	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+2Na"	45.978436
"1129393"	341.757318	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2Na"	45.978436
"1413768"	228.173970666667	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H+2Na"	46.985712
"1435921"	684.548946	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H+HCOOH"	47.012746
"225985"	665.55844	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+3H2O+2H"	56.04448
"1523773"	698.60099	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+IsoProp+H"	61.06479
"423867"	668.512388	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+Na+K"	61.952376
"784941"	987.280488	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+Na+K"	61.952376
"1678359"	349.744288	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Na+K"	61.952376
"261961"	1339.088168	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+ACN+Na"	64.015768
"1232483"	701.551968	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+ACN+Na"	64.015768
"1720277"	701.575493	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+NH4+HCOOH"	64.039293
"1185632"	235.501284666667	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+3Na"	68.967654
"1659897"	706.530888	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Na+HCOOH"	68.994688
"171133"	1351.99144	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+2K-H"	76.91904
"607413"	1989.52764	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+2K-H"	76.91904
"1097393"	714.45524	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2K-H"	76.91904
"155303"	676.499358	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"2M+2K"	77.926316
"591584"	995.267458	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"3M+2K"	77.926316
"1079377"	357.731258	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2K"	77.926316
"1110402"	716.469792	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2K+H"	78.933592
"1346789"	716.557407	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+DMSO+H"	79.021207
"1017503"	720.596576	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2ACN+H"	83.060376
"1530158"	721.590208	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+IsoProp+Na+H"	84.054008
"996606"	360.801926	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+2ACN+2H"	84.067652
"1593297"	722.504828	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+K+HCOOH"	84.968628
"1416772"	752.536338	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+H+CF3COOH"	115.000138
"1149245"	381.315201	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+3ACN+2H"	125.094202
"1698796"	769.562885	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+NH4+CF3COOH"	132.026685
"1636632"	774.51828	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+Na+CF3COOH"	136.98208
"1577758"	790.49222	"C18138"	"224456-Hexabromodiphenyl ether;PBDE 154;BDE 154"	"C12H4Br6O"	"637.5362"	"M+K+CF3COOH"	152.95602
"808122"	715.4468	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M"	0
"989557"	696.42841	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-H2O-H"	-19.01839
"76465"	475.957257333333	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M-3H"	-3.021828
"516024"	714.439524	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M-3H"	-3.021828
"893464"	237.474990666667	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-3H"	-3.021828
"13134"	714.439524	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M-2H"	-2.014552
"451966"	1072.162924	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M-2H"	-2.014552
"828673"	356.716124	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-2H"	-2.014552
"89393"	1429.886324	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M-H"	-1.007276
"526039"	2145.333124	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M-H"	-1.007276
"902748"	714.439524	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-H"	-1.007276
"53843"	1446.912871	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M-2H+NH4"	16.019271
"496685"	2162.359671	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M-2H+NH4"	16.019271
"870112"	731.466071	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-2H+NH4"	16.019271
"42390"	1451.868266	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M-2H+Na"	20.974666
"484136"	2167.315066	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M-2H+Na"	20.974666
"860485"	736.421466	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-2H+Na"	20.974666
"1630018"	736.421466	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Na-2H"	20.974666
"106912"	732.427863	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M-H+Cl"	33.962126
"545377"	1090.151263	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M-H+Cl"	33.962126
"931601"	374.704463	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-H+Cl"	33.962126
"273437"	1465.863002	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+Cl"	34.969402
"664402"	2181.309802	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+Cl"	34.969402
"1277903"	750.416202	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Cl"	34.969402
"23740"	1467.842206	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M-2H+K"	36.948606
"464393"	2183.289006	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M-2H+K"	36.948606
"841101"	752.395406	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-2H+K"	36.948606
"1561306"	752.395406	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+K-2H"	36.948606
"950280"	760.444994	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-H+HCOOH"	44.998194
"366313"	1475.891801	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+HCOOH-H"	44.998201
"355665"	1489.907451	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+Hac-H"	59.013851
"1505961"	774.460651	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Hac-H"	59.013851
"970947"	782.426951	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-H+NaCOOH"	66.980151
"113296"	750.416202	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+2Cl"	69.938804
"552853"	1108.139602	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+2Cl"	69.938804
"1023477"	392.692802	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2Cl"	69.938804
"1242323"	794.365685	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Br"	78.918885
"1305503"	796.421672	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Cl+HCOOH"	80.974872
"1326646"	818.403629	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Cl+NaCOOH"	102.956829
"920984"	828.432386	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M-H+CF3COOH"	112.985586
"1297696"	864.409064	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Cl+CF3COOH"	148.962264
"1372937"	680.434124	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H-2H2O"	-35.012676
"1392260"	698.4441	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H-H2O"	-17.0027
"297416"	1431.900876	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+H"	1.007276
"690207"	2147.347676	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+H"	1.007276
"1366840"	716.454076	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H"	1.007276
"139081"	716.454076	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+2H"	2.014552
"578276"	1074.177476	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+2H"	2.014552
"1046346"	358.730676	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2H"	2.014552
"219676"	477.971809333333	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+3H"	3.021828
"658183"	716.454076	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+3H"	3.021828
"1177771"	239.489542666667	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+3H"	3.021828
"439583"	1448.927423	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+NH4"	18.033823
"799849"	2164.374223	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+NH4"	18.033823
"1695816"	733.480623	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+NH4"	18.033823
"344826"	724.9673495	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+H+NH4"	19.041099
"738369"	1082.6907495	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+H+NH4"	19.041099
"1492207"	367.2439495	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H+NH4"	19.041099
"403544"	1453.882818	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+Na"	22.989218
"768555"	2169.329618	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+Na"	22.989218
"1617507"	738.436018	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Na"	22.989218
"329365"	727.445047	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+H+Na"	23.996494
"722270"	1085.168447	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+H+Na"	23.996494
"1476087"	369.721647	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H+Na"	23.996494
"1066536"	246.816856666667	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2H+Na"	25.00377
"1271372"	748.480286	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+CH3OH+H"	33.033486
"386790"	1469.856758	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+K"	38.963158
"746698"	2185.303558	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+K"	38.963158
"1552029"	754.409958	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+K"	38.963158
"310300"	735.432017	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+H+K"	39.970434
"702723"	1093.155417	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+H+K"	39.970434
"1456541"	377.708617	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H+K"	39.970434
"249646"	1472.927426	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+ACN+H"	42.033826
"1223691"	757.480626	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+ACN+H"	42.033826
"1209157"	379.243951	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+ACN+2H"	43.041102
"201173"	1475.86476	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+2Na-H"	44.97116
"643289"	2191.31156	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+2Na-H"	44.97116
"1145584"	760.41796	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2Na-H"	44.97116
"187417"	738.436018	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+2Na"	45.978436
"628151"	1096.159418	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+2Na"	45.978436
"1128045"	380.712618	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2Na"	45.978436
"1411571"	254.144170666667	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H+2Na"	46.985712
"1433481"	762.459546	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H+HCOOH"	47.012746
"235530"	743.46904	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+3H2O+2H"	56.04448
"1522181"	776.51159	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+IsoProp+H"	61.06479
"421870"	746.422988	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+Na+K"	61.952376
"783958"	1104.146388	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+Na+K"	61.952376
"1680293"	388.699588	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Na+K"	61.952376
"265352"	1494.909368	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+ACN+Na"	64.015768
"1234781"	779.462568	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+ACN+Na"	64.015768
"1722574"	779.486093	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+NH4+HCOOH"	64.039293
"1183555"	261.471484666667	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+3Na"	68.967654
"1656728"	784.441488	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Na+HCOOH"	68.994688
"167965"	1507.81264	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+2K-H"	76.91904
"608618"	2223.25944	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+2K-H"	76.91904
"1093132"	792.36584	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2K-H"	76.91904
"146668"	754.409958	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"2M+2K"	77.926316
"588417"	1112.133358	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"3M+2K"	77.926316
"1077303"	396.686558	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2K"	77.926316
"1109418"	794.380392	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2K+H"	78.933592
"1346896"	794.468007	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+DMSO+H"	79.021207
"1017615"	798.507176	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2ACN+H"	83.060376
"1530268"	799.500808	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+IsoProp+Na+H"	84.054008
"996716"	399.757226	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+2ACN+2H"	84.067652
"1595594"	800.415428	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+K+HCOOH"	84.968628
"1419069"	830.446938	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+H+CF3COOH"	115.000138
"1148262"	420.270501	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+3ACN+2H"	125.094202
"1698907"	847.473485	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+NH4+CF3COOH"	132.026685
"1635650"	852.42888	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+Na+CF3COOH"	136.98208
"1577868"	868.40282	"C18139"	"2233456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(235-tribromophenoxy)-benzene;BDE 175"	"C12H3Br7O"	"715.4468"	"M+K+CF3COOH"	152.95602
"810419"	715.4468	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M"	0
"989426"	696.42841	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-H2O-H"	-19.01839
"76574"	475.957257333333	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M-3H"	-3.021828
"515040"	714.439524	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M-3H"	-3.021828
"894184"	237.474990666667	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-3H"	-3.021828
"13609"	714.439524	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M-2H"	-2.014552
"453534"	1072.162924	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M-2H"	-2.014552
"830608"	356.716124	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-2H"	-2.014552
"90235"	1429.886324	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M-H"	-1.007276
"530891"	2145.333124	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M-H"	-1.007276
"903952"	714.439524	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-H"	-1.007276
"51767"	1446.912871	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M-2H+NH4"	16.019271
"497525"	2162.359671	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M-2H+NH4"	16.019271
"871316"	731.466071	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-2H+NH4"	16.019271
"43957"	1451.868266	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M-2H+Na"	20.974666
"484610"	2167.315066	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M-2H+Na"	20.974666
"859865"	736.421466	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-2H+Na"	20.974666
"1630492"	736.421466	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Na-2H"	20.974666
"108604"	732.427863	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M-H+Cl"	33.962126
"542207"	1090.151263	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M-H+Cl"	33.962126
"938637"	374.704463	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-H+Cl"	33.962126
"279381"	1465.863002	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+Cl"	34.969402
"666699"	2181.309802	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+Cl"	34.969402
"1278741"	750.416202	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Cl"	34.969402
"28953"	1467.842206	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M-2H+K"	36.948606
"468513"	2183.289006	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M-2H+K"	36.948606
"847050"	752.395406	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-2H+K"	36.948606
"1564698"	752.395406	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+K-2H"	36.948606
"954766"	760.444994	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-H+HCOOH"	44.998194
"372985"	1475.891801	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+HCOOH-H"	44.998201
"357235"	1489.907451	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+Hac-H"	59.013851
"1506678"	774.460651	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Hac-H"	59.013851
"971789"	782.426951	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-H+NaCOOH"	66.980151
"115593"	750.416202	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+2Cl"	69.938804
"554422"	1108.139602	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+2Cl"	69.938804
"1023221"	392.692802	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2Cl"	69.938804
"1243893"	794.365685	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Br"	78.918885
"1306340"	796.421672	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Cl+HCOOH"	80.974872
"1322016"	818.403629	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Cl+NaCOOH"	102.956829
"922188"	828.432386	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M-H+CF3COOH"	112.985586
"1298898"	864.409064	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Cl+CF3COOH"	148.962264
"1370495"	680.434124	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H-2H2O"	-35.012676
"1392367"	698.4441	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H-H2O"	-17.0027
"298299"	1431.900876	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+H"	1.007276
"690923"	2147.347676	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+H"	1.007276
"1366789"	716.454076	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H"	1.007276
"140860"	716.454076	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+2H"	2.014552
"581243"	1074.177476	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+2H"	2.014552
"1052697"	358.730676	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2H"	2.014552
"217638"	477.971809333333	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+3H"	3.021828
"658900"	716.454076	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+3H"	3.021828
"1178285"	239.489542666667	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+3H"	3.021828
"439614"	1448.927423	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+NH4"	18.033823
"800689"	2164.374223	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+NH4"	18.033823
"1695808"	733.480623	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+NH4"	18.033823
"344571"	724.9673495	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+H+NH4"	19.041099
"737719"	1082.6907495	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+H+NH4"	19.041099
"1492599"	367.2439495	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H+NH4"	19.041099
"403654"	1453.882818	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+Na"	22.989218
"769274"	2169.329618	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+Na"	22.989218
"1617493"	738.436018	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Na"	22.989218
"328746"	727.445047	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+H+Na"	23.996494
"722343"	1085.168447	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+H+Na"	23.996494
"1476809"	369.721647	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H+Na"	23.996494
"1064459"	246.816856666667	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2H+Na"	25.00377
"1270144"	748.480286	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+CH3OH+H"	33.033486
"389086"	1469.856758	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+K"	38.963158
"746808"	2185.303558	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+K"	38.963158
"1551046"	754.409958	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+K"	38.963158
"308224"	735.432017	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+H+K"	39.970434
"700647"	1093.155417	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+H+K"	39.970434
"1454464"	377.708617	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H+K"	39.970434
"247443"	1472.927426	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+ACN+H"	42.033826
"1223437"	757.480626	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+ACN+H"	42.033826
"1207686"	379.243951	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+ACN+2H"	43.041102
"202014"	1475.86476	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+2Na-H"	44.97116
"643765"	2191.31156	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+2Na-H"	44.97116
"1146545"	760.41796	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2Na-H"	44.97116
"188372"	738.436018	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+2Na"	45.978436
"628182"	1096.159418	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+2Na"	45.978436
"1131162"	380.712618	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2Na"	45.978436
"1412411"	254.144170666667	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H+2Na"	46.985712
"1436508"	762.459546	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H+HCOOH"	47.012746
"225112"	743.46904	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+3H2O+2H"	56.04448
"1516455"	776.51159	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+IsoProp+H"	61.06479
"423076"	746.422988	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+Na+K"	61.952376
"785158"	1104.146388	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+Na+K"	61.952376
"1677122"	388.699588	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Na+K"	61.952376
"264370"	1494.909368	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+ACN+Na"	64.015768
"1234891"	779.462568	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+ACN+Na"	64.015768
"1721590"	779.486093	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+NH4+HCOOH"	64.039293
"1185852"	261.471484666667	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+3Na"	68.967654
"1657932"	784.441488	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Na+HCOOH"	68.994688
"165888"	1507.81264	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+2K-H"	76.91904
"603261"	2223.25944	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+2K-H"	76.91904
"1087775"	792.36584	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2K-H"	76.91904
"143499"	754.409958	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"2M+2K"	77.926316
"584152"	1112.133358	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"3M+2K"	77.926316
"1073039"	396.686558	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2K"	77.926316
"1107343"	794.380392	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2K+H"	78.933592
"1345186"	794.468007	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+DMSO+H"	79.021207
"1017727"	798.507176	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2ACN+H"	83.060376
"1535845"	799.500808	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+IsoProp+Na+H"	84.054008
"1001200"	399.757226	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+2ACN+2H"	84.067652
"1597890"	800.415428	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+K+HCOOH"	84.968628
"1421364"	830.446938	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+H+CF3COOH"	115.000138
"1151651"	420.270501	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+3ACN+2H"	125.094202
"1705576"	847.473485	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+NH4+CF3COOH"	132.026685
"1635151"	852.42888	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+Na+CF3COOH"	136.98208
"1577978"	868.40282	"C18140"	"2234456-Heptabromodiphenyl ether;1235-Tetrabromo-4-(245-tribromophenoxy)-benzene;BDE 183"	"C12H3Br7O"	"715.4468"	"M+K+CF3COOH"	152.95602
"807249"	247.8521	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M"	0
"989907"	228.83371	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-H2O-H"	-19.01839
"77049"	164.227457333333	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M-3H"	-3.021828
"515150"	246.844824	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M-3H"	-3.021828
"895515"	81.6100906666667	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-3H"	-3.021828
"15177"	246.844824	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M-2H"	-2.014552
"454376"	370.770874	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M-2H"	-2.014552
"832176"	122.918774	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-2H"	-2.014552
"91074"	494.696924	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M-H"	-1.007276
"532823"	742.549024	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M-H"	-1.007276
"904791"	246.844824	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-H"	-1.007276
"51877"	511.723471	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M-2H+NH4"	16.019271
"499821"	759.575571	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M-2H+NH4"	16.019271
"872519"	263.871371	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-2H+NH4"	16.019271
"42607"	516.678866	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M-2H+Na"	20.974666
"485448"	764.530966	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M-2H+Na"	20.974666
"859975"	268.826766	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-2H+Na"	20.974666
"1632789"	268.826766	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Na-2H"	20.974666
"108596"	264.833163	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M-H+Cl"	33.962126
"542318"	388.759213	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M-H+Cl"	33.962126
"934009"	140.907113	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-H+Cl"	33.962126
"279855"	530.673602	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+Cl"	34.969402
"667538"	778.525702	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+Cl"	34.969402
"1282497"	282.821502	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Cl"	34.969402
"30035"	532.652806	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M-2H+K"	36.948606
"469353"	780.504906	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M-2H+K"	36.948606
"847765"	284.800706	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-2H+K"	36.948606
"1564808"	284.800706	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+K-2H"	36.948606
"949771"	292.850294	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-H+HCOOH"	44.998194
"372367"	540.702401	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+HCOOH-H"	44.998201
"358074"	554.718051	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+Hac-H"	59.013851
"1507273"	306.865951	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Hac-H"	59.013851
"972629"	314.832251	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-H+NaCOOH"	66.980151
"117890"	282.821502	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+2Cl"	69.938804
"555263"	406.747552	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+2Cl"	69.938804
"1023333"	158.895452	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2Cl"	69.938804
"1244733"	326.770985	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Br"	78.918885
"1307180"	328.826972	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Cl+HCOOH"	80.974872
"1324679"	350.808929	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Cl+NaCOOH"	102.956829
"922299"	360.837686	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M-H+CF3COOH"	112.985586
"1301925"	396.814364	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Cl+CF3COOH"	148.962264
"1371699"	212.839424	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H-2H2O"	-35.012676
"1391384"	230.8494	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H-H2O"	-17.0027
"298490"	496.711476	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+H"	1.007276
"691078"	744.563576	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+H"	1.007276
"1366819"	248.859376	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H"	1.007276
"140038"	248.859376	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+2H"	2.014552
"581215"	372.785426	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+2H"	2.014552
"1052036"	124.933326	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2H"	2.014552
"219208"	166.242009333333	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+3H"	3.021828
"659839"	248.859376	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+3H"	3.021828
"1177991"	83.6246426666667	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+3H"	3.021828
"438223"	513.738023	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+NH4"	18.033823
"800068"	761.590123	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+NH4"	18.033823
"1696522"	265.885923	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+NH4"	18.033823
"345530"	257.3726495	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+H+NH4"	19.041099
"738319"	381.2986995	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+H+NH4"	19.041099
"1492662"	133.4465995	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H+NH4"	19.041099
"402670"	518.693418	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+Na"	22.989218
"766948"	766.545518	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+Na"	22.989218
"1617967"	270.841318	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Na"	22.989218
"329829"	259.850347	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+H+Na"	23.996494
"721757"	383.776397	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+H+Na"	23.996494
"1474605"	135.924297	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H+Na"	23.996494
"1063477"	90.9519566666667	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2H+Na"	25.00377
"1268431"	280.885586	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+CH3OH+H"	33.033486
"388103"	534.667358	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+K"	38.963158
"752387"	782.519458	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+K"	38.963158
"1552250"	286.815258	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+K"	38.963158
"309427"	267.837317	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+H+K"	39.970434
"701849"	391.763367	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+H+K"	39.970434
"1456761"	143.911267	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H+K"	39.970434
"246459"	537.738026	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+ACN+H"	42.033826
"1224517"	289.885926	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+ACN+H"	42.033826
"1208160"	145.446601	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+ACN+2H"	43.041102
"202123"	540.67536	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+2Na-H"	44.97116
"643956"	788.52746	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+2Na-H"	44.97116
"1146778"	292.82326	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2Na-H"	44.97116
"188320"	270.841318	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+2Na"	45.978436
"626584"	394.767368	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+2Na"	45.978436
"1130782"	146.915268	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2Na"	45.978436
"1413212"	98.2792706666667	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H+2Na"	46.985712
"1437712"	294.864846	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H+HCOOH"	47.012746
"230686"	275.87434	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+3H2O+2H"	56.04448
"1519845"	308.91689	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+IsoProp+H"	61.06479
"416251"	278.828288	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+Na+K"	61.952376
"784660"	402.754338	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+Na+K"	61.952376
"1675773"	154.902238	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Na+K"	61.952376
"264115"	559.719968	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+ACN+Na"	64.015768
"1235001"	311.867868	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+ACN+Na"	64.015768
"1720606"	311.891393	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+NH4+HCOOH"	64.039293
"1187786"	105.606584666667	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+3Na"	68.967654
"1658043"	316.846788	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Na+HCOOH"	68.994688
"164905"	572.62324	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+2K-H"	76.91904
"606288"	820.47534	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+2K-H"	76.91904
"1088980"	324.77114	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2K-H"	76.91904
"144702"	286.815258	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"2M+2K"	77.926316
"586450"	410.741308	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"3M+2K"	77.926316
"1070962"	162.889208	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2K"	77.926316
"1106360"	326.785692	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2K+H"	78.933592
"1346025"	326.873307	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+DMSO+H"	79.021207
"1018199"	330.912476	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2ACN+H"	83.060376
"1535954"	331.906108	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+IsoProp+Na+H"	84.054008
"1001310"	165.959876	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+2ACN+2H"	84.067652
"1594720"	332.820728	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+K+HCOOH"	84.968628
"1420381"	362.852238	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+H+CF3COOH"	115.000138
"1149574"	186.473151	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+3ACN+2H"	125.094202
"1700583"	379.878785	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+NH4+CF3COOH"	132.026685
"1636962"	384.83418	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+Na+CF3COOH"	136.98208
"1578088"	400.80812	"C18141"	"Pentachlorobenzene;12345-Pentachlorobenzene;PCB"	"C6HCl5"	"247.8521"	"M+K+CF3COOH"	152.95602
"814650"	499.9375	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M"	0
"989858"	480.91911	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-H2O-H"	-19.01839
"78505"	332.284390666667	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M-3H"	-3.021828
"517814"	498.930224	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M-3H"	-3.021828
"895171"	165.638557333333	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-3H"	-3.021828
"15529"	498.930224	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M-2H"	-2.014552
"455329"	748.898974	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M-2H"	-2.014552
"832653"	248.961474	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-2H"	-2.014552
"93900"	998.867724	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M-H"	-1.007276
"532933"	1498.805224	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M-H"	-1.007276
"907452"	498.930224	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-H"	-1.007276
"56361"	1015.894271	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M-2H+NH4"	16.019271
"500295"	1515.831771	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M-2H+NH4"	16.019271
"872629"	515.956771	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-2H+NH4"	16.019271
"46365"	1020.849666	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M-2H+Na"	20.974666
"486651"	1520.787166	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M-2H+Na"	20.974666
"863359"	520.912166	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-2H+Na"	20.974666
"1634037"	520.912166	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Na-2H"	20.974666
"109070"	516.918563	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M-H+Cl"	33.962126
"549479"	766.887313	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M-H+Cl"	33.962126
"941167"	266.949813	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-H+Cl"	33.962126
"282238"	1034.844402	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+Cl"	34.969402
"671294"	1534.781902	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+Cl"	34.969402
"1287914"	534.906902	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Cl"	34.969402
"31364"	1036.823606	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M-2H+K"	36.948606
"470191"	1536.761106	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M-2H+K"	36.948606
"848328"	536.886106	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-2H+K"	36.948606
"1566011"	536.886106	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+K-2H"	36.948606
"956808"	544.935694	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-H+HCOOH"	44.998194
"375030"	1044.873201	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+HCOOH-H"	44.998201
"357820"	1058.888851	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+Hac-H"	59.013851
"1508239"	558.951351	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Hac-H"	59.013851
"973107"	566.917651	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-H+NaCOOH"	66.980151
"115814"	534.906902	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+2Cl"	69.938804
"557561"	784.875652	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+2Cl"	69.938804
"1023444"	284.938152	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2Cl"	69.938804
"1248125"	578.856385	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Br"	78.918885
"1310573"	580.912372	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Cl+HCOOH"	80.974872
"1324790"	602.894329	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Cl+NaCOOH"	102.956829
"921317"	612.923086	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M-H+CF3COOH"	112.985586
"1302887"	648.899764	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Cl+CF3COOH"	148.962264
"1375091"	464.924824	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H-2H2O"	-35.012676
"1393681"	482.9348	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H-H2O"	-17.0027
"297506"	1000.882276	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+H"	1.007276
"690538"	1500.819776	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+H"	1.007276
"1366879"	500.944776	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H"	1.007276
"141078"	500.944776	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+2H"	2.014552
"581374"	750.913526	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+2H"	2.014552
"1052027"	250.976026	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2H"	2.014552
"219197"	334.298942666667	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+3H"	3.021828
"659243"	500.944776	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+3H"	3.021828
"1178101"	167.653109333333	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+3H"	3.021828
"438090"	1017.908823	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+NH4"	18.033823
"799450"	1517.846323	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+NH4"	18.033823
"1694687"	517.971323	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+NH4"	18.033823
"344425"	509.4580495	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+H+NH4"	19.041099
"738187"	759.4267995	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+H+NH4"	19.041099
"1492329"	259.4892995	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H+NH4"	19.041099
"400594"	1022.864218	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+Na"	22.989218
"768151"	1522.801718	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+Na"	22.989218
"1617957"	522.926718	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Na"	22.989218
"329877"	511.935747	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+H+Na"	23.996494
"721746"	761.904497	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+H+Na"	23.996494
"1476864"	261.966997	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H+Na"	23.996494
"1066866"	174.980423333333	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2H+Na"	25.00377
"1268542"	532.970986	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+CH3OH+H"	33.033486
"390399"	1038.838158	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+K"	38.963158
"752497"	1538.775658	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+K"	38.963158
"1553454"	538.900658	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+K"	38.963158
"311361"	519.922717	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+H+K"	39.970434
"705605"	769.891467	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+H+K"	39.970434
"1457967"	269.953967	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H+K"	39.970434
"246570"	1041.908826	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+ACN+H"	42.033826
"1223291"	541.971326	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+ACN+H"	42.033826
"1207906"	271.489301	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+ACN+2H"	43.041102
"201505"	1044.84616	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+2Na-H"	44.97116
"643944"	1544.78366	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+2Na-H"	44.97116
"1147041"	544.90866	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2Na-H"	44.97116
"188548"	522.926718	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+2Na"	45.978436
"626327"	772.895468	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+2Na"	45.978436
"1129835"	272.957968	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2Na"	45.978436
"1412021"	182.307737333333	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H+2Na"	46.985712
"1440009"	546.950246	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H+HCOOH"	47.012746
"233713"	527.95974	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+3H2O+2H"	56.04448
"1518860"	561.00229	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+IsoProp+H"	61.06479
"423653"	530.913688	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+Na+K"	61.952376
"785642"	780.882438	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+Na+K"	61.952376
"1680745"	280.944938	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Na+K"	61.952376
"265322"	1063.890768	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+ACN+Na"	64.015768
"1239120"	563.953268	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+ACN+Na"	64.015768
"1722903"	563.976793	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+NH4+HCOOH"	64.039293
"1188261"	189.635051333333	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+3Na"	68.967654
"1658154"	568.932188	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Na+HCOOH"	68.994688
"165016"	1076.79404	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+2K-H"	76.91904
"604576"	1576.73154	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+2K-H"	76.91904
"1089090"	576.85654	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2K-H"	76.91904
"150279"	538.900658	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"2M+2K"	77.926316
"586561"	788.869408	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"3M+2K"	77.926316
"1077634"	288.931908	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2K"	77.926316
"1110845"	578.871092	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2K+H"	78.933592
"1346865"	578.958707	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+DMSO+H"	79.021207
"1017582"	582.997876	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2ACN+H"	83.060376
"1537162"	583.991508	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+IsoProp+Na+H"	84.054008
"1003246"	292.002576	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+2ACN+2H"	84.067652
"1600908"	584.906128	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+K+HCOOH"	84.968628
"1423772"	614.937638	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+H+CF3COOH"	115.000138
"1154058"	312.515851	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+3ACN+2H"	125.094202
"1705796"	631.964185	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+NH4+CF3COOH"	132.026685
"1635980"	636.91958	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+Na+CF3COOH"	136.98208
"1578198"	652.89352	"C18142"	"Perfluorooctanesulfonic acid;Perfluorooctylsulfonic acid;PFOS"	"C8HF17O3S"	"499.9375"	"M+K+CF3COOH"	152.95602
"807469"	501.9332	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M"	0
"984284"	482.91481	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-H2O-H"	-19.01839
"75807"	333.614857333333	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M-3H"	-3.021828
"510992"	500.925924	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M-3H"	-3.021828
"888794"	166.303790666667	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-3H"	-3.021828
"7370"	500.925924	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M-2H"	-2.014552
"448024"	751.892524	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M-2H"	-2.014552
"831665"	249.959324	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-2H"	-2.014552
"90194"	1002.859124	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M-H"	-1.007276
"533040"	1504.792324	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M-H"	-1.007276
"907558"	500.925924	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-H"	-1.007276
"57564"	1019.885671	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M-2H+NH4"	16.019271
"499312"	1521.818871	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M-2H+NH4"	16.019271
"872739"	517.952471	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-2H+NH4"	16.019271
"45014"	1024.841066	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M-2H+Na"	20.974666
"486158"	1526.774266	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M-2H+Na"	20.974666
"860190"	522.907866	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-2H+Na"	20.974666
"1634035"	522.907866	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Na-2H"	20.974666
"108817"	518.914263	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M-H+Cl"	33.962126
"549877"	769.880863	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M-H+Cl"	33.962126
"942129"	267.947663	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-H+Cl"	33.962126
"282681"	1038.835802	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+Cl"	34.969402
"674321"	1540.769002	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+Cl"	34.969402
"1287822"	536.902602	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Cl"	34.969402
"31190"	1040.815006	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M-2H+K"	36.948606
"469937"	1542.748206	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M-2H+K"	36.948606
"848276"	538.881806	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-2H+K"	36.948606
"1568307"	538.881806	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+K-2H"	36.948606
"954002"	546.931394	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-H+HCOOH"	44.998194
"376112"	1048.864601	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+HCOOH-H"	44.998201
"360117"	1062.880251	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+Hac-H"	59.013851
"1508189"	560.947051	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Hac-H"	59.013851
"973947"	568.913351	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-H+NaCOOH"	66.980151
"117017"	536.902602	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+2Cl"	69.938804
"556576"	787.869202	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+2Cl"	69.938804
"1023554"	285.936002	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2Cl"	69.938804
"1247141"	580.852085	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Br"	78.918885
"1307401"	582.908072	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Cl+HCOOH"	80.974872
"1323077"	604.890029	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Cl+NaCOOH"	102.956829
"923611"	614.918786	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M-H+CF3COOH"	112.985586
"1300687"	650.895464	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Cl+CF3COOH"	148.962264
"1376294"	466.920524	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H-2H2O"	-35.012676
"1387230"	484.9305	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H-H2O"	-17.0027
"298189"	1004.873676	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+H"	1.007276
"690734"	1506.806876	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+H"	1.007276
"1366395"	502.940476	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H"	1.007276
"140014"	502.940476	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+2H"	2.014552
"580668"	753.907076	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+2H"	2.014552
"1051410"	251.973876	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2H"	2.014552
"218334"	335.629409333333	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+3H"	3.021828
"658259"	502.940476	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+3H"	3.021828
"1178088"	168.318342666667	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+3H"	3.021828
"436741"	1021.900223	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+NH4"	18.033823
"799559"	1523.833423	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+NH4"	18.033823
"1695160"	519.967023	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+NH4"	18.033823
"344417"	511.4537495	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+H+NH4"	19.041099
"737809"	762.4203495	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+H+NH4"	19.041099
"1492112"	260.4871495	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H+NH4"	19.041099
"399975"	1026.855618	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+Na"	22.989218
"766075"	1528.788818	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+Na"	22.989218
"1617459"	524.922418	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Na"	22.989218
"329764"	513.931447	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+H+Na"	23.996494
"721372"	764.898047	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+H+Na"	23.996494
"1474825"	262.964847	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H+Na"	23.996494
"1062604"	175.645656666667	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2H+Na"	25.00377
"1267559"	534.966686	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+CH3OH+H"	33.033486
"388322"	1042.829558	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+K"	38.963158
"752608"	1544.762758	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+K"	38.963158
"1552471"	540.896358	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+K"	38.963158
"311835"	521.918417	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+H+K"	39.970434
"703164"	772.885017	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+H+K"	39.970434
"1455891"	270.951817	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H+K"	39.970434
"242306"	1045.900226	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+ACN+H"	42.033826
"1221942"	543.967026	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+ACN+H"	42.033826
"1205825"	272.487151	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+ACN+2H"	43.041102
"196143"	1048.83756	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+2Na-H"	44.97116
"639349"	1550.77076	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+2Na-H"	44.97116
"1145047"	546.90436	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2Na-H"	44.97116
"186879"	524.922418	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+2Na"	45.978436
"627165"	775.889018	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+2Na"	45.978436
"1127753"	273.955818	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2Na"	45.978436
"1412373"	182.972970666667	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H+2Na"	46.985712
"1442671"	548.945946	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H+HCOOH"	47.012746
"233823"	529.95544	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+3H2O+2H"	56.04448
"1516784"	562.99799	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+IsoProp+H"	61.06479
"417565"	532.909388	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+Na+K"	61.952376
"785488"	783.875988	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+Na+K"	61.952376
"1680492"	281.942788	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Na+K"	61.952376
"265431"	1067.882168	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+ACN+Na"	64.015768
"1238501"	565.948968	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+ACN+Na"	64.015768
"1724107"	565.972493	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+NH4+HCOOH"	64.039293
"1185092"	190.300284666667	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+3Na"	68.967654
"1656078"	570.927888	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Na+HCOOH"	68.994688
"165126"	1080.78544	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+2K-H"	76.91904
"604686"	1582.71864	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+2K-H"	76.91904
"1087014"	578.85224	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2K-H"	76.91904
"150389"	540.896358	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"2M+2K"	77.926316
"585578"	791.862958	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"3M+2K"	77.926316
"1074464"	289.929758	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2K"	77.926316
"1110954"	580.866792	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2K+H"	78.933592
"1348069"	580.954407	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+DMSO+H"	79.021207
"1018785"	584.993576	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2ACN+H"	83.060376
"1537273"	585.987208	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+IsoProp+Na+H"	84.054008
"1000440"	293.000426	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+2ACN+2H"	84.067652
"1599317"	586.901828	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+K+HCOOH"	84.968628
"1424975"	616.933338	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+H+CF3COOH"	115.000138
"1155262"	313.513701	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+3ACN+2H"	125.094202
"1708093"	633.959885	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+NH4+CF3COOH"	132.026685
"1637184"	638.91528	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+Na+CF3COOH"	136.98208
"1578308"	654.88922	"C18143"	"Perfluorooctylsulfonyl fluoride"	"C8F18O2S"	"501.9332"	"M+K+CF3COOH"	152.95602
"808673"	439.7588	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M"	0
"984393"	420.74041	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-H2O-H"	-19.01839
"68261"	292.165257333333	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M-3H"	-3.021828
"507821"	438.751524	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M-3H"	-3.021828
"893280"	145.578990666667	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-3H"	-3.021828
"10760"	438.751524	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M-2H"	-2.014552
"453239"	658.630924	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M-2H"	-2.014552
"832264"	218.872124	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-2H"	-2.014552
"91765"	878.510324	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M-H"	-1.007276
"530961"	1318.269124	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M-H"	-1.007276
"909618"	438.751524	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-H"	-1.007276
"60589"	895.536871	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M-2H+NH4"	16.019271
"497959"	1335.295671	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M-2H+NH4"	16.019271
"875036"	455.778071	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-2H+NH4"	16.019271
"46101"	900.492266	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M-2H+Na"	20.974666
"486636"	1340.251066	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M-2H+Na"	20.974666
"862369"	460.733466	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-2H+Na"	20.974666
"1633732"	460.733466	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Na-2H"	20.974666
"108439"	456.739863	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M-H+Cl"	33.962126
"545929"	676.619263	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M-H+Cl"	33.962126
"940539"	236.860463	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-H+Cl"	33.962126
"282134"	914.487002	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+Cl"	34.969402
"674555"	1354.245802	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+Cl"	34.969402
"1286594"	474.728202	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Cl"	34.969402
"26475"	916.466206	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M-2H+K"	36.948606
"462757"	1356.225006	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M-2H+K"	36.948606
"842745"	476.707406	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-2H+K"	36.948606
"1568055"	476.707406	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+K-2H"	36.948606
"944641"	484.756994	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-H+HCOOH"	44.998194
"369052"	924.515801	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+HCOOH-H"	44.998201
"359866"	938.531451	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+Hac-H"	59.013851
"1506876"	498.772651	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Hac-H"	59.013851
"963846"	506.738951	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-H+NaCOOH"	66.980151
"111779"	474.728202	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+2Cl"	69.938804
"556687"	694.607602	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+2Cl"	69.938804
"1024393"	254.848802	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2Cl"	69.938804
"1243971"	518.677685	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Br"	78.918885
"1305688"	520.733672	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Cl+HCOOH"	80.974872
"1322821"	542.715629	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Cl+NaCOOH"	102.956829
"913881"	552.744386	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M-H+CF3COOH"	112.985586
"1289855"	588.721064	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Cl+CF3COOH"	148.962264
"1368750"	404.746124	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H-2H2O"	-35.012676
"1396825"	422.7561	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H-H2O"	-17.0027
"297972"	880.524876	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+H"	1.007276
"690883"	1320.283676	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+H"	1.007276
"1366021"	440.766076	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H"	1.007276
"141093"	440.766076	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+2H"	2.014552
"580536"	660.645476	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+2H"	2.014552
"1051886"	220.886676	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2H"	2.014552
"218444"	294.179809333333	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+3H"	3.021828
"659341"	440.766076	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+3H"	3.021828
"1175762"	147.593542666667	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+3H"	3.021828
"438675"	897.551423	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+NH4"	18.033823
"798937"	1337.310223	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+NH4"	18.033823
"1695271"	457.792623	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+NH4"	18.033823
"343914"	449.2793495	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+H+NH4"	19.041099
"737922"	669.1587495	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+H+NH4"	19.041099
"1489789"	229.3999495	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H+NH4"	19.041099
"405189"	902.506818	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+Na"	22.989218
"768740"	1342.265618	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+Na"	22.989218
"1617208"	462.748018	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Na"	22.989218
"328948"	451.757047	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+H+Na"	23.996494
"721240"	671.636447	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+H+Na"	23.996494
"1475788"	231.877647	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H+Na"	23.996494
"1062715"	154.920856666667	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2H+Na"	25.00377
"1269862"	472.792286	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+CH3OH+H"	33.033486
"390505"	918.480758	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+K"	38.963158
"753409"	1358.239558	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+K"	38.963158
"1554768"	478.721958	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+K"	38.963158
"309759"	459.744017	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+H+K"	39.970434
"705098"	679.623417	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+H+K"	39.970434
"1456000"	239.864617	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H+K"	39.970434
"245696"	921.551426	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+ACN+H"	42.033826
"1222416"	481.792626	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+ACN+H"	42.033826
"1203382"	241.399951	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+ACN+2H"	43.041102
"198440"	924.48876	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+2Na-H"	44.97116
"636906"	1364.24756	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+2Na-H"	44.97116
"1143694"	484.72996	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2Na-H"	44.97116
"188091"	462.748018	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+2Na"	45.978436
"626549"	682.627418	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+2Na"	45.978436
"1130910"	242.868618	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2Na"	45.978436
"1409202"	162.248170666667	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H+2Na"	46.985712
"1443512"	486.771546	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H+HCOOH"	47.012746
"232115"	467.78104	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+3H2O+2H"	56.04448
"1517990"	500.82359	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+IsoProp+H"	61.06479
"423404"	470.734988	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+Na+K"	61.952376
"784150"	690.614388	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+Na+K"	61.952376
"1678291"	250.855588	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Na+K"	61.952376
"265541"	943.533368	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+ACN+Na"	64.015768
"1238615"	503.774568	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+ACN+Na"	64.015768
"1719848"	503.798093	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+NH4+HCOOH"	64.039293
"1184108"	169.575484666667	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+3Na"	68.967654
"1656188"	508.753488	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Na+HCOOH"	68.994688
"163049"	956.43664	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+2K-H"	76.91904
"603704"	1396.19544	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+2K-H"	76.91904
"1087125"	516.67784	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2K-H"	76.91904
"143940"	478.721958	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"2M+2K"	77.926316
"582407"	698.601358	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"3M+2K"	77.926316
"1070563"	258.842558	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2K"	77.926316
"1103410"	518.692392	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2K+H"	78.933592
"1344169"	518.780007	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+DMSO+H"	79.021207
"1015978"	522.819176	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2ACN+H"	83.060376
"1533009"	523.812808	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+IsoProp+Na+H"	84.054008
"1001645"	261.913226	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+2ACN+2H"	84.067652
"1598333"	524.727428	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+K+HCOOH"	84.968628
"1426179"	554.758938	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+H+CF3COOH"	115.000138
"1158652"	282.426501	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+3ACN+2H"	125.094202
"1700550"	571.785485	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+NH4+CF3COOH"	132.026685
"1636205"	576.74088	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+Na+CF3COOH"	136.98208
"1578419"	592.71482	"C18145"	"trans-Nonachlor"	"C10H5Cl9"	"439.7588"	"M+K+CF3COOH"	152.95602
"808783"	419.777	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M"	0
"982316"	400.75861	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-H2O-H"	-19.01839
"68371"	278.844057333333	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M-3H"	-3.021828
"507931"	418.769724	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M-3H"	-3.021828
"891203"	138.918390666667	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-3H"	-3.021828
"9776"	418.769724	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M-2H"	-2.014552
"452620"	628.658224	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M-2H"	-2.014552
"830059"	208.881224	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-2H"	-2.014552
"91873"	838.546724	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M-H"	-1.007276
"525599"	1258.323724	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M-H"	-1.007276
"910090"	418.769724	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-H"	-1.007276
"58872"	855.573271	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M-2H+NH4"	16.019271
"496246"	1275.350271	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M-2H+NH4"	16.019271
"879280"	435.796271	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-2H+NH4"	16.019271
"46699"	860.528666	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M-2H+Na"	20.974666
"486257"	1280.305666	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M-2H+Na"	20.974666
"863573"	440.751666	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-2H+Na"	20.974666
"1633520"	440.751666	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Na-2H"	20.974666
"107575"	436.758063	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M-H+Cl"	33.962126
"548715"	646.646563	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M-H+Cl"	33.962126
"941989"	226.869563	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-H+Cl"	33.962126
"281636"	874.523402	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+Cl"	34.969402
"674547"	1294.300402	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+Cl"	34.969402
"1286216"	454.746402	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Cl"	34.969402
"25494"	876.502606	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M-2H+K"	36.948606
"461775"	1296.279606	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M-2H+K"	36.948606
"838482"	456.725606	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-2H+K"	36.948606
"1564155"	456.725606	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+K-2H"	36.948606
"947668"	464.775194	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-H+HCOOH"	44.998194
"374266"	884.552201	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+HCOOH-H"	44.998201
"358153"	898.567851	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+Hac-H"	59.013851
"1502974"	478.790851	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Hac-H"	59.013851
"965050"	486.757151	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-H+NaCOOH"	66.980151
"111769"	454.746402	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+2Cl"	69.938804
"552056"	664.634902	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+2Cl"	69.938804
"1023410"	244.857902	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2Cl"	69.938804
"1242989"	498.695885	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Br"	78.918885
"1305071"	500.751872	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Cl+HCOOH"	80.974872
"1320865"	522.733829	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Cl+NaCOOH"	102.956829
"915085"	532.762586	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M-H+CF3COOH"	112.985586
"1291790"	568.739264	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Cl+CF3COOH"	148.962264
"1371047"	384.764324	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H-2H2O"	-35.012676
"1395109"	402.7743	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H-H2O"	-17.0027
"297956"	840.561276	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+H"	1.007276
"691115"	1260.338276	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+H"	1.007276
"1366912"	420.784276	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H"	1.007276
"141359"	420.784276	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+2H"	2.014552
"581012"	630.672776	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+2H"	2.014552
"1051269"	210.895776	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2H"	2.014552
"219527"	280.858609333333	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+3H"	3.021828
"658844"	420.784276	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+3H"	3.021828
"1175872"	140.932942666667	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+3H"	3.021828
"438053"	857.587823	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+NH4"	18.033823
"792487"	1277.364823	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+NH4"	18.033823
"1694286"	437.810823	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+NH4"	18.033823
"343295"	429.2975495	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+H+NH4"	19.041099
"738233"	639.1860495	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+H+NH4"	19.041099
"1487712"	219.4090495	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H+NH4"	19.041099
"405299"	862.543218	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+Na"	22.989218
"769700"	1282.320218	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+Na"	22.989218
"1617928"	442.766218	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Na"	22.989218
"329171"	431.775247	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+H+Na"	23.996494
"721104"	641.663747	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+H+Na"	23.996494
"1475777"	221.886747	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H+Na"	23.996494
"1065009"	148.260256666667	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2H+Na"	25.00377
"1266692"	452.810486	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+CH3OH+H"	33.033486
"391708"	878.517158	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+K"	38.963158
"752469"	1298.294158	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+K"	38.963158
"1552690"	458.740158	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+K"	38.963158
"310963"	439.762217	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+H+K"	39.970434
"703384"	649.650717	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+H+K"	39.970434
"1453923"	229.873717	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H+K"	39.970434
"241432"	881.587826	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+ACN+H"	42.033826
"1220339"	461.810826	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+ACN+H"	42.033826
"1202397"	231.409051	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+ACN+2H"	43.041102
"196363"	884.52516	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+2Na-H"	44.97116
"635923"	1304.30216	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+2Na-H"	44.97116
"1144168"	464.74816	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2Na-H"	44.97116
"187958"	442.766218	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+2Na"	45.978436
"626293"	652.654718	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+2Na"	45.978436
"1129803"	232.877718	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2Na"	45.978436
"1407125"	155.587570666667	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H+2Na"	46.985712
"1443500"	466.789746	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H+HCOOH"	47.012746
"234049"	447.79924	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+3H2O+2H"	56.04448
"1519194"	480.84179	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+IsoProp+H"	61.06479
"423391"	450.753188	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+Na+K"	61.952376
"783164"	660.641688	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+Na+K"	61.952376
"1679128"	240.864688	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Na+K"	61.952376
"264919"	903.569768	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+ACN+Na"	64.015768
"1240307"	483.792768	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+ACN+Na"	64.015768
"1719958"	483.816293	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+NH4+HCOOH"	64.039293
"1187499"	162.914884666667	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+3Na"	68.967654
"1656299"	488.771688	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Na+HCOOH"	68.994688
"164252"	916.47304	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+2K-H"	76.91904
"603814"	1336.25004	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+2K-H"	76.91904
"1087235"	496.69604	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2K-H"	76.91904
"142956"	458.740158	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"2M+2K"	77.926316
"584704"	668.628658	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"3M+2K"	77.926316
"1069217"	248.851658	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2K"	77.926316
"1106800"	498.710592	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2K+H"	78.933592
"1345372"	498.798207	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+DMSO+H"	79.021207
"1016817"	502.837376	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2ACN+H"	83.060376
"1534211"	503.831008	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+IsoProp+Na+H"	84.054008
"996288"	251.922326	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+2ACN+2H"	84.067652
"1598442"	504.745628	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+K+HCOOH"	84.968628
"1426290"	534.777138	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+H+CF3COOH"	115.000138
"1160949"	272.435601	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+3ACN+2H"	125.094202
"1699567"	551.803685	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+NH4+CF3COOH"	132.026685
"1635221"	556.75908	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+Na+CF3COOH"	136.98208
"1578529"	572.73302	"C18146"	"Oxychlordane"	"C10H4Cl8O"	"419.777"	"M+K+CF3COOH"	152.95602
"808893"	419.1288	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M"	0
"985706"	400.11041	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-H2O-H"	-19.01839
"68481"	278.411924	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M-3H"	-3.021828
"506948"	418.121524	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M-3H"	-3.021828
"892406"	138.702324	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-3H"	-3.021828
"9886"	418.121524	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M-2H"	-2.014552
"450910"	627.685924	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M-2H"	-2.014552
"829441"	208.557124	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-2H"	-2.014552
"91256"	837.250324	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M-H"	-1.007276
"529356"	1256.379124	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M-H"	-1.007276
"908254"	418.121524	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-H"	-1.007276
"59711"	854.276871	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M-2H+NH4"	16.019271
"496356"	1273.405671	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M-2H+NH4"	16.019271
"879635"	435.148071	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-2H+NH4"	16.019271
"46442"	859.232266	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M-2H+Na"	20.974666
"486935"	1278.361066	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M-2H+Na"	20.974666
"863319"	440.103466	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-2H+Na"	20.974666
"1633833"	440.103466	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Na-2H"	20.974666
"109426"	436.109863	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M-H+Cl"	33.962126
"549067"	645.674263	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M-H+Cl"	33.962126
"942101"	226.545463	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-H+Cl"	33.962126
"281016"	873.227002	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+Cl"	34.969402
"675261"	1292.355802	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+Cl"	34.969402
"1285233"	454.098202	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Cl"	34.969402
"26697"	875.206206	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M-2H+K"	36.948606
"465164"	1294.335006	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M-2H+K"	36.948606
"841872"	456.077406	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-2H+K"	36.948606
"1563173"	456.077406	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+K-2H"	36.948606
"951058"	464.126994	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-H+HCOOH"	44.998194
"374741"	883.255801	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+HCOOH-H"	44.998201
"360087"	897.271451	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+Hac-H"	59.013851
"1503084"	478.142651	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Hac-H"	59.013851
"961879"	486.108951	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-H+NaCOOH"	66.980151
"110298"	454.098202	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+2Cl"	69.938804
"553627"	663.662602	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+2Cl"	69.938804
"1022180"	244.533802	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2Cl"	69.938804
"1244191"	498.047685	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Br"	78.918885
"1306639"	500.103672	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Cl+HCOOH"	80.974872
"1320855"	522.085629	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Cl+NaCOOH"	102.956829
"915194"	532.114386	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M-H+CF3COOH"	112.985586
"1292994"	568.091064	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Cl+CF3COOH"	148.962264
"1370064"	384.116124	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H-2H2O"	-35.012676
"1393032"	402.1261	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H-H2O"	-17.0027
"295999"	839.264876	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+H"	1.007276
"690855"	1258.393676	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+H"	1.007276
"1366890"	420.136076	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H"	1.007276
"140698"	420.136076	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+2H"	2.014552
"581284"	629.700476	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+2H"	2.014552
"1052098"	210.571676	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2H"	2.014552
"217935"	280.426476	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+3H"	3.021828
"657493"	420.136076	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+3H"	3.021828
"1171608"	140.716876	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+3H"	3.021828
"438163"	856.291423	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+NH4"	18.033823
"794783"	1275.420223	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+NH4"	18.033823
"1691116"	437.162623	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+NH4"	18.033823
"343769"	428.6493495	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+H+NH4"	19.041099
"738501"	638.2137495	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+H+NH4"	19.041099
"1487822"	219.0849495	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H+NH4"	19.041099
"404316"	861.246818	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+Na"	22.989218
"769322"	1280.375618	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+Na"	22.989218
"1617422"	442.118018	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Na"	22.989218
"329402"	431.127047	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+H+Na"	23.996494
"721702"	640.691447	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+H+Na"	23.996494
"1473699"	221.562647	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H+Na"	23.996494
"1064027"	148.04419	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2H+Na"	25.00377
"1268987"	452.162286	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+CH3OH+H"	33.033486
"392819"	877.220758	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+K"	38.963158
"753307"	1296.349558	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+K"	38.963158
"1555554"	458.091958	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+K"	38.963158
"312165"	439.114017	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+H+K"	39.970434
"705317"	648.678417	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+H+K"	39.970434
"1454034"	229.549617	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H+K"	39.970434
"243729"	880.291426	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+ACN+H"	42.033826
"1220813"	461.162626	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+ACN+H"	42.033826
"1203600"	231.084951	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+ACN+2H"	43.041102
"197566"	883.22876	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+2Na-H"	44.97116
"639312"	1302.35756	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+2Na-H"	44.97116
"1145371"	464.09996	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2Na-H"	44.97116
"188069"	442.118018	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+2Na"	45.978436
"626767"	651.682418	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+2Na"	45.978436
"1128088"	232.553618	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2Na"	45.978436
"1408329"	155.371504	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H+2Na"	46.985712
"1444217"	466.141546	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H+HCOOH"	47.012746
"232331"	447.15104	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+3H2O+2H"	56.04448
"1518209"	480.19359	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+IsoProp+H"	61.06479
"422761"	450.104988	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+Na+K"	61.952376
"783273"	659.669388	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+Na+K"	61.952376
"1679238"	240.540588	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Na+K"	61.952376
"262842"	902.273368	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+ACN+Na"	64.015768
"1238835"	483.144568	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+ACN+Na"	64.015768
"1722255"	483.168093	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+NH4+HCOOH"	64.039293
"1187609"	162.698818	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+3Na"	68.967654
"1657502"	488.123488	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Na+HCOOH"	68.994688
"163269"	915.17664	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+2K-H"	76.91904
"602832"	1334.30544	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+2K-H"	76.91904
"1086251"	496.04784	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2K-H"	76.91904
"143066"	458.091958	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"2M+2K"	77.926316
"582626"	667.656358	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"3M+2K"	77.926316
"1069569"	248.527558	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2K"	77.926316
"1103628"	498.062392	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2K+H"	78.933592
"1341105"	498.150007	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+DMSO+H"	79.021207
"1016199"	502.189176	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2ACN+H"	83.060376
"1536506"	503.182808	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+IsoProp+Na+H"	84.054008
"997492"	251.598226	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+2ACN+2H"	84.067652
"1598553"	504.097428	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+K+HCOOH"	84.968628
"1428222"	534.128938	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+H+CF3COOH"	115.000138
"1159966"	272.111501	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+3ACN+2H"	125.094202
"1697851"	551.155485	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+NH4+CF3COOH"	132.026685
"1635331"	556.11088	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+Na+CF3COOH"	136.98208
"1578639"	572.08482	"C18147"	"Esfenvalerate"	"C25H22ClNO3"	"419.1288"	"M+K+CF3COOH"	152.95602
"809003"	375.7508	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M"	0
"985816"	356.73241	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-H2O-H"	-19.01839
"65311"	249.493257333333	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M-3H"	-3.021828
"505964"	374.743524	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M-3H"	-3.021828
"891423"	124.242990666667	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-3H"	-3.021828
"11089"	374.743524	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M-2H"	-2.014552
"452841"	562.618924	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M-2H"	-2.014552
"830280"	186.868124	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-2H"	-2.014552
"92094"	750.494324	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M-H"	-1.007276
"529830"	1126.245124	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M-H"	-1.007276
"908364"	374.743524	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-H"	-1.007276
"59092"	767.520871	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M-2H+NH4"	16.019271
"496466"	1143.271671	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M-2H+NH4"	16.019271
"879380"	391.770071	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-2H+NH4"	16.019271
"46066"	772.476266	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M-2H+Na"	20.974666
"483923"	1148.227066	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M-2H+Na"	20.974666
"863794"	396.725466	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-2H+Na"	20.974666
"1632353"	396.725466	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Na-2H"	20.974666
"108644"	392.731863	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M-H+Cl"	33.962126
"548326"	580.607263	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M-H+Cl"	33.962126
"937588"	204.856463	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-H+Cl"	33.962126
"280516"	786.471002	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+Cl"	34.969402
"673790"	1162.221802	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+Cl"	34.969402
"1285342"	410.720202	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Cl"	34.969402
"27900"	788.450206	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M-2H+K"	36.948606
"466367"	1164.201006	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M-2H+K"	36.948606
"841980"	412.699406	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-2H+K"	36.948606
"1565468"	412.699406	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+K-2H"	36.948606
"951168"	420.748994	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-H+HCOOH"	44.998194
"375579"	796.499801	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+HCOOH-H"	44.998201
"356916"	810.515451	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+Hac-H"	59.013851
"1503194"	434.764651	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Hac-H"	59.013851
"963082"	442.730951	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-H+NaCOOH"	66.980151
"110528"	410.720202	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+2Cl"	69.938804
"553737"	598.595602	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+2Cl"	69.938804
"1022169"	222.844802	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2Cl"	69.938804
"1244301"	454.669685	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Br"	78.918885
"1305410"	456.725672	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Cl+HCOOH"	80.974872
"1321083"	478.707629	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Cl+NaCOOH"	102.956829
"912750"	488.736386	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M-H+CF3COOH"	112.985586
"1290552"	524.713064	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Cl+CF3COOH"	148.962264
"1370173"	340.738124	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H-2H2O"	-35.012676
"1390955"	358.7481	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H-H2O"	-17.0027
"291736"	752.508876	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+H"	1.007276
"687438"	1128.259676	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+H"	1.007276
"1366635"	376.758076	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H"	1.007276
"138862"	376.758076	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+2H"	2.014552
"580737"	564.633476	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+2H"	2.014552
"1050504"	188.882676	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2H"	2.014552
"218044"	251.507809333333	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+3H"	3.021828
"657603"	376.758076	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+3H"	3.021828
"1174997"	126.257542666667	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+3H"	3.021828
"436087"	769.535423	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+NH4"	18.033823
"795985"	1145.286223	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+NH4"	18.033823
"1692319"	393.784623	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+NH4"	18.033823
"341692"	385.2713495	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+H+NH4"	19.041099
"736302"	573.1467495	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+H+NH4"	19.041099
"1489025"	197.3959495	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H+NH4"	19.041099
"403331"	774.490818	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+Na"	22.989218
"766516"	1150.241618	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+Na"	22.989218
"1615710"	398.740018	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Na"	22.989218
"326838"	387.749047	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+H+Na"	23.996494
"720352"	575.624447	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+H+Na"	23.996494
"1471985"	199.873647	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H+Na"	23.996494
"1064135"	133.584856666667	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2H+Na"	25.00377
"1264721"	408.784286	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+CH3OH+H"	33.033486
"392010"	790.464758	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+K"	38.963158
"753411"	1166.215558	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+K"	38.963158
"1553276"	414.713958	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+K"	38.963158
"310817"	395.736017	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+H+K"	39.970434
"700323"	583.611417	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+H+K"	39.970434
"1455236"	207.860617	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H+K"	39.970434
"239463"	793.535426	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+ACN+H"	42.033826
"1216549"	417.784626	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+ACN+H"	42.033826
"1200428"	209.395951	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+ACN+2H"	43.041102
"194395"	796.47276	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+2Na-H"	44.97116
"638326"	1172.22356	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+2Na-H"	44.97116
"1140741"	420.72196	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2Na-H"	44.97116
"182940"	398.740018	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+2Na"	45.978436
"624686"	586.615418	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+2Na"	45.978436
"1128190"	210.864618	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2Na"	45.978436
"1404065"	140.912170666667	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H+2Na"	46.985712
"1443476"	422.763546	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H+HCOOH"	47.012746
"232441"	403.77304	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+3H2O+2H"	56.04448
"1519048"	436.81559	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+IsoProp+H"	61.06479
"423476"	406.726988	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+Na+K"	61.952376
"784355"	594.602388	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+Na+K"	61.952376
"1679348"	218.851588	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Na+K"	61.952376
"266600"	815.517368	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+ACN+Na"	64.015768
"1238577"	439.766568	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+ACN+Na"	64.015768
"1721271"	439.790093	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+NH4+HCOOH"	64.039293
"1187719"	148.239484666667	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+3Na"	68.967654
"1659797"	444.745488	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Na+HCOOH"	68.994688
"165200"	828.42064	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+2K-H"	76.91904
"604035"	1204.17144	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+2K-H"	76.91904
"1088547"	452.66984	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2K-H"	76.91904
"142446"	414.713958	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"2M+2K"	77.926316
"582127"	602.589358	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"3M+2K"	77.926316
"1069679"	226.838558	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2K"	77.926316
"1102644"	454.684392	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2K+H"	78.933592
"1339030"	454.772007	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+DMSO+H"	79.021207
"1014123"	458.811176	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2ACN+H"	83.060376
"1533337"	459.804808	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+IsoProp+Na+H"	84.054008
"999789"	229.909226	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+2ACN+2H"	84.067652
"1597570"	460.719428	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+K+HCOOH"	84.968628
"1427602"	490.750938	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+H+CF3COOH"	115.000138
"1158982"	250.422501	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+3ACN+2H"	125.094202
"1697352"	507.777485	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+NH4+CF3COOH"	132.026685
"1634712"	512.73288	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+Na+CF3COOH"	136.98208
"1578749"	528.70682	"C18148"	"Octachlorostyrene"	"C8Cl8"	"375.7508"	"M+K+CF3COOH"	152.95602
"810206"	598.2219	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M"	0
"987022"	579.20351	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-H2O-H"	-19.01839
"73076"	397.807324	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M-3H"	-3.021828
"511543"	597.214624	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M-3H"	-3.021828
"894452"	198.400024	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-3H"	-3.021828
"14120"	597.214624	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M-2H"	-2.014552
"455480"	896.325574	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M-2H"	-2.014552
"832595"	298.103674	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-2H"	-2.014552
"94225"	1195.436524	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M-H"	-1.007276
"534123"	1793.658424	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M-H"	-1.007276
"911028"	597.214624	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-H"	-1.007276
"61757"	1212.463071	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M-2H+NH4"	16.019271
"502456"	1810.684971	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M-2H+NH4"	16.019271
"878755"	614.241171	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-2H+NH4"	16.019271
"46950"	1217.418466	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M-2H+Na"	20.974666
"486751"	1815.640366	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M-2H+Na"	20.974666
"864115"	619.196566	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-2H+Na"	20.974666
"1632463"	619.196566	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Na-2H"	20.974666
"108754"	615.202963	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M-H+Cl"	33.962126
"549489"	914.313913	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M-H+Cl"	33.962126
"941709"	316.092013	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-H+Cl"	33.962126
"280627"	1231.413202	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+Cl"	34.969402
"674023"	1829.635102	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+Cl"	34.969402
"1285452"	633.191302	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Cl"	34.969402
"30076"	1233.392406	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M-2H+K"	36.948606
"466477"	1831.614306	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M-2H+K"	36.948606
"846464"	635.170506	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-2H+K"	36.948606
"1568858"	635.170506	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+K-2H"	36.948606
"957717"	643.220094	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-H+HCOOH"	44.998194
"375932"	1241.442001	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+HCOOH-H"	44.998201
"358849"	1255.457651	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+Hac-H"	59.013851
"1508045"	657.235751	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Hac-H"	59.013851
"963193"	665.202051	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-H+NaCOOH"	66.980151
"114287"	633.191302	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+2Cl"	69.938804
"553848"	932.302252	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+2Cl"	69.938804
"1023740"	334.080352	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2Cl"	69.938804
"1243319"	677.140785	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Br"	78.918885
"1305765"	679.196772	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Cl+HCOOH"	80.974872
"1325449"	701.178729	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Cl+NaCOOH"	102.956829
"917601"	711.207486	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M-H+CF3COOH"	112.985586
"1289447"	747.184164	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Cl+CF3COOH"	148.962264
"1368824"	563.209224	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H-2H2O"	-35.012676
"1393253"	581.2192	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H-H2O"	-17.0027
"294032"	1197.451076	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+H"	1.007276
"689734"	1795.672976	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+H"	1.007276
"1366932"	599.229176	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H"	1.007276
"138608"	599.229176	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+2H"	2.014552
"581247"	898.340126	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+2H"	2.014552
"1052441"	300.118226	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2H"	2.014552
"219934"	399.821876	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+3H"	3.021828
"659413"	599.229176	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+3H"	3.021828
"1178026"	200.414576	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+3H"	3.021828
"438018"	1214.477623	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+NH4"	18.033823
"797555"	1812.699523	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+NH4"	18.033823
"1694250"	616.255723	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+NH4"	18.033823
"341434"	607.7424495	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+H+NH4"	19.041099
"737749"	906.8533995	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+H+NH4"	19.041099
"1491199"	308.6314995	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H+NH4"	19.041099
"406720"	1219.433018	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+Na"	22.989218
"769059"	1817.654918	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+Na"	22.989218
"1618010"	621.211118	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Na"	22.989218
"327922"	610.220147	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+H+Na"	23.996494
"719369"	909.331097	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+H+Na"	23.996494
"1473189"	311.109197	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H+Na"	23.996494
"1066432"	207.74189	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2H+Na"	25.00377
"1269208"	631.255386	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+CH3OH+H"	33.033486
"392572"	1235.406958	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+K"	38.963158
"753157"	1833.628858	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+K"	38.963158
"1551199"	637.185058	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+K"	38.963158
"312750"	618.207117	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+H+K"	39.970434
"703348"	917.318067	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+H+K"	39.970434
"1460086"	319.096167	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H+K"	39.970434
"245040"	1238.477626	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+ACN+H"	42.033826
"1221396"	640.255726	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+ACN+H"	42.033826
"1205278"	320.631501	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+ACN+2H"	43.041102
"200702"	1241.41496	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+2Na-H"	44.97116
"641718"	1839.63686	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+2Na-H"	44.97116
"1146684"	643.19306	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2Na-H"	44.97116
"185601"	621.211118	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+2Na"	45.978436
"626619"	920.322068	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+2Na"	45.978436
"1130366"	322.100168	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2Na"	45.978436
"1407815"	215.069204	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H+2Na"	46.985712
"1435197"	645.234646	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H+HCOOH"	47.012746
"231093"	626.24414	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+3H2O+2H"	56.04448
"1519158"	659.28669	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+IsoProp+H"	61.06479
"418116"	629.198088	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+Na+K"	61.952376
"785569"	928.309038	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+Na+K"	61.952376
"1680192"	330.087138	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Na+K"	61.952376
"266914"	1260.459568	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+ACN+Na"	64.015768
"1239051"	662.237668	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+ACN+Na"	64.015768
"1719194"	662.261193	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+NH4+HCOOH"	64.039293
"1185640"	222.396518	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+3Na"	68.967654
"1656626"	667.216588	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Na+HCOOH"	68.994688
"165674"	1273.36284	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+2K-H"	76.91904
"599040"	1871.58474	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+2K-H"	76.91904
"1088656"	675.14094	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2K-H"	76.91904
"142798"	637.185058	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"2M+2K"	77.926316
"582477"	936.296008	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"3M+2K"	77.926316
"1072826"	338.074108	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2K"	77.926316
"1102753"	677.155492	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2K+H"	78.933592
"1342419"	677.243107	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+DMSO+H"	79.021207
"1010948"	681.282276	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2ACN+H"	83.060376
"1534544"	682.275908	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+IsoProp+Na+H"	84.054008
"997711"	341.144776	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+2ACN+2H"	84.067652
"1600960"	683.190528	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+K+HCOOH"	84.968628
"1429751"	713.222038	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+H+CF3COOH"	115.000138
"1162373"	361.658051	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+3ACN+2H"	125.094202
"1704270"	730.248585	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+NH4+CF3COOH"	132.026685
"1637736"	735.20398	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+Na+CF3COOH"	136.98208
"1578859"	751.17792	"C18149"	"Tributyltin oxide;TBTO"	"C24H54OSn2"	"598.2219"	"M+K+CF3COOH"	152.95602
"808129"	134.1096	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M"	0
"982757"	115.09121	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-H2O-H"	-19.01839
"68811"	88.399124	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M-3H"	-3.021828
"508372"	133.102324	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M-3H"	-3.021828
"889455"	43.695924	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-3H"	-3.021828
"11311"	133.102324	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M-2H"	-2.014552
"449780"	200.157124	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M-2H"	-2.014552
"827582"	66.047524	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-2H"	-2.014552
"89398"	267.211924	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M-H"	-1.007276
"528229"	401.321524	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M-H"	-1.007276
"909316"	133.102324	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-H"	-1.007276
"59678"	284.238471	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M-2H+NH4"	16.019271
"499607"	418.348071	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M-2H+NH4"	16.019271
"877774"	150.128871	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-2H+NH4"	16.019271
"44581"	289.193866	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M-2H+Na"	20.974666
"481954"	423.303466	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M-2H+Na"	20.974666
"857567"	155.084266	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-2H+Na"	20.974666
"1631477"	155.084266	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Na-2H"	20.974666
"108009"	151.090663	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M-H+Cl"	33.962126
"548179"	218.145463	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M-H+Cl"	33.962126
"937808"	84.035863	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-H+Cl"	33.962126
"278549"	303.188602	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+Cl"	34.969402
"668786"	437.298202	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+Cl"	34.969402
"1283375"	169.079002	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Cl"	34.969402
"22652"	305.167806	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M-2H+K"	36.948606
"464400"	439.277406	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M-2H+K"	36.948606
"844389"	171.058206	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-2H+K"	36.948606
"1567876"	171.058206	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+K-2H"	36.948606
"955762"	179.107794	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-H+HCOOH"	44.998194
"375799"	313.217401	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+HCOOH-H"	44.998201
"356769"	327.233051	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+Hac-H"	59.013851
"1505603"	193.123451	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Hac-H"	59.013851
"962210"	201.089751	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-H+NaCOOH"	66.980151
"113304"	169.079002	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+2Cl"	69.938804
"553958"	236.133802	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+2Cl"	69.938804
"1023850"	102.024202	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2Cl"	69.938804
"1242336"	213.028485	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Br"	78.918885
"1304782"	215.084472	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Cl+HCOOH"	80.974872
"1324467"	237.066429	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Cl+NaCOOH"	102.956829
"918805"	247.095186	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M-H+CF3COOH"	112.985586
"1289679"	283.071864	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Cl+CF3COOH"	148.962264
"1370027"	99.096924	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H-2H2O"	-35.012676
"1394457"	117.1069	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H-H2O"	-17.0027
"294142"	269.226476	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+H"	1.007276
"686564"	403.336076	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+H"	1.007276
"1366076"	135.116876	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H"	1.007276
"136895"	135.116876	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+2H"	2.014552
"580835"	202.171676	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+2H"	2.014552
"1050724"	68.062076	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2H"	2.014552
"218263"	90.413676	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+3H"	3.021828
"658916"	135.116876	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+3H"	3.021828
"1176677"	45.710476	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+3H"	3.021828
"437035"	286.253023	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+NH4"	18.033823
"794018"	420.362623	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+NH4"	18.033823
"1693267"	152.143423	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+NH4"	18.033823
"341909"	143.6301495	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+H+NH4"	19.041099
"737859"	210.6849495	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+H+NH4"	19.041099
"1489243"	76.5753495	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H+NH4"	19.041099
"404643"	291.208418	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+Na"	22.989218
"768198"	425.318018	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+Na"	22.989218
"1617029"	157.098818	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Na"	22.989218
"328885"	146.107847	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+H+Na"	23.996494
"719478"	213.162647	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+H+Na"	23.996494
"1472936"	79.053047	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H+Na"	23.996494
"1066179"	53.03779	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2H+Na"	25.00377
"1267131"	167.143086	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+CH3OH+H"	33.033486
"392152"	307.182358	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+K"	38.963158
"753756"	441.291958	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+K"	38.963158
"1552039"	173.072758	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+K"	38.963158
"312499"	154.094817	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+H+K"	39.970434
"704917"	221.149617	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+H+K"	39.970434
"1458375"	87.040017	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H+K"	39.970434
"248066"	310.253026	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+ACN+H"	42.033826
"1222235"	176.143426	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+ACN+H"	42.033826
"1205388"	88.575351	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+ACN+2H"	43.041102
"199353"	313.19036	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+2Na-H"	44.97116
"639276"	447.29996	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+2Na-H"	44.97116
"1143145"	179.08076	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2Na-H"	44.97116
"185712"	157.098818	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+2Na"	45.978436
"624908"	224.153618	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+2Na"	45.978436
"1130234"	90.044018	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2Na"	45.978436
"1408653"	60.365104	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H+2Na"	46.985712
"1435307"	181.122346	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H+HCOOH"	47.012746
"226096"	162.13184	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+3H2O+2H"	56.04448
"1518904"	195.17439	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+IsoProp+H"	61.06479
"420049"	165.085788	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+Na+K"	61.952376
"785389"	232.140588	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+Na+K"	61.952376
"1680663"	98.030988	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Na+K"	61.952376
"266454"	332.234968	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+ACN+Na"	64.015768
"1238432"	198.125368	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+ACN+Na"	64.015768
"1721490"	198.148893	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+NH4+HCOOH"	64.039293
"1184658"	67.692418	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+3Na"	68.967654
"1655644"	203.104288	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Na+HCOOH"	68.994688
"164692"	345.13824	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+2K-H"	76.91904
"607536"	479.24784	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+2K-H"	76.91904
"1087673"	211.02864	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2K-H"	76.91904
"142908"	173.072758	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"2M+2K"	77.926316
"582587"	240.127558	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"3M+2K"	77.926316
"1070017"	106.017958	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2K"	77.926316
"1102864"	213.043192	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2K+H"	78.933592
"1340341"	213.130807	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+DMSO+H"	79.021207
"1011057"	217.169976	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2ACN+H"	83.060376
"1532466"	218.163608	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+IsoProp+Na+H"	84.054008
"1000008"	109.088626	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+2ACN+2H"	84.067652
"1600707"	219.078228	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+K+HCOOH"	84.968628
"1428919"	249.109738	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+H+CF3COOH"	115.000138
"1162491"	129.601901	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+3ACN+2H"	125.094202
"1703287"	266.136285	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+NH4+CF3COOH"	132.026685
"1635296"	271.09168	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+Na+CF3COOH"	136.98208
"1578969"	287.06562	"C18150"	"n-Butylbenzene"	"C10H14"	"134.1096"	"M+K+CF3COOH"	152.95602
"802404"	908.5302	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M"	0
"982867"	889.51181	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-H2O-H"	-19.01839
"70015"	604.679524	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M-3H"	-3.021828
"506295"	907.522924	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M-3H"	-3.021828
"891752"	301.836124	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-3H"	-3.021828
"12514"	907.522924	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M-2H"	-2.014552
"448794"	1361.788024	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M-2H"	-2.014552
"827692"	453.257824	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-2H"	-2.014552
"88779"	1816.053124	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M-H"	-1.007276
"526152"	2724.583324	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M-H"	-1.007276
"902858"	907.522924	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-H"	-1.007276
"59060"	1833.079671	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M-2H+NH4"	16.019271
"496799"	2741.609871	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M-2H+NH4"	16.019271
"878859"	924.549471	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-2H+NH4"	16.019271
"44569"	1838.035066	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M-2H+Na"	20.974666
"483157"	2746.565266	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M-2H+Na"	20.974666
"857677"	929.504866	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-2H+Na"	20.974666
"1633533"	929.504866	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Na-2H"	20.974666
"106664"	925.511263	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M-H+Cl"	33.962126
"547684"	1379.776363	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M-H+Cl"	33.962126
"941931"	471.246163	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-H+Cl"	33.962126
"278658"	1852.029802	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+Cl"	34.969402
"671083"	2760.560002	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+Cl"	34.969402
"1284579"	943.499602	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Cl"	34.969402
"21668"	1854.009006	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M-2H+K"	36.948606
"463416"	2762.539206	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M-2H+K"	36.948606
"842311"	945.478806	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-2H+K"	36.948606
"1563612"	945.478806	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+K-2H"	36.948606
"953684"	953.528394	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-H+HCOOH"	44.998194
"370806"	1862.058601	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+HCOOH-H"	44.998201
"360528"	1876.074251	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+Hac-H"	59.013851
"1506808"	967.544051	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Hac-H"	59.013851
"962320"	975.510351	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-H+NaCOOH"	66.980151
"115601"	943.499602	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+2Cl"	69.938804
"557348"	1397.764702	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+2Cl"	69.938804
"1029427"	489.234502	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2Cl"	69.938804
"1245726"	987.449085	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Br"	78.918885
"1308174"	989.505072	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Cl+HCOOH"	80.974872
"1330044"	1011.487029	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Cl+NaCOOH"	102.956829
"923289"	1021.515786	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M-H+CF3COOH"	112.985586
"1291612"	1057.492464	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Cl+CF3COOH"	148.962264
"1370503"	873.517524	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H-2H2O"	-35.012676
"1392380"	891.5275	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H-H2O"	-17.0027
"294252"	1818.067676	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+H"	1.007276
"688861"	2726.597876	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+H"	1.007276
"1363023"	909.537476	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H"	1.007276
"140651"	909.537476	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+2H"	2.014552
"572193"	1363.802576	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+2H"	2.014552
"1045366"	455.272376	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2H"	2.014552
"214359"	606.694076	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+3H"	3.021828
"653921"	909.537476	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+3H"	3.021828
"1173140"	303.850676	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+3H"	3.021828
"438601"	1835.094223	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+NH4"	18.033823
"794126"	2743.624423	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+NH4"	18.033823
"1690457"	926.564023	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+NH4"	18.033823
"338736"	918.0507495	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+H+NH4"	19.041099
"734439"	1372.3158495	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+H+NH4"	19.041099
"1484978"	463.7856495	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H+NH4"	19.041099
"405849"	1840.049618	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+Na"	22.989218
"768307"	2748.579818	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+Na"	22.989218
"1617138"	931.519418	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Na"	22.989218
"329481"	920.528447	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+H+Na"	23.996494
"720199"	1374.793547	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+H+Na"	23.996494
"1474503"	466.263347	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H+Na"	23.996494
"1065561"	311.17799	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2H+Na"	25.00377
"1266147"	941.563686	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+CH3OH+H"	33.033486
"390559"	1856.023558	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+K"	38.963158
"753380"	2764.553758	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+K"	38.963158
"1553243"	947.493358	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+K"	38.963158
"313336"	928.515417	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+H+K"	39.970434
"705756"	1382.780517	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+H+K"	39.970434
"1459211"	474.250317	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H+K"	39.970434
"248908"	1859.094226	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+ACN+H"	42.033826
"1222345"	950.564026	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+ACN+H"	42.033826
"1205133"	475.785651	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+ACN+2H"	43.041102
"200191"	1862.03156	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+2Na-H"	44.97116
"640844"	2770.56176	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+2Na-H"	44.97116
"1143619"	953.50136	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2Na-H"	44.97116
"187282"	931.519418	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+2Na"	45.978436
"627569"	1385.784518	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+2Na"	45.978436
"1129978"	477.254318	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2Na"	45.978436
"1408763"	318.505304	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H+2Na"	46.985712
"1439784"	955.542946	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H+HCOOH"	47.012746
"226206"	936.55244	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+3H2O+2H"	56.04448
"1512082"	969.59499	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+IsoProp+H"	61.06479
"421982"	939.506388	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+Na+K"	61.952376
"777142"	1393.771488	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+Na+K"	61.952376
"1679319"	485.241288	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Na+K"	61.952376
"266205"	1881.076168	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+ACN+Na"	64.015768
"1239274"	972.545968	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+ACN+Na"	64.015768
"1722696"	972.569493	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+NH4+HCOOH"	64.039293
"1187686"	325.832618	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+3Na"	68.967654
"1655756"	977.524888	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Na+HCOOH"	68.994688
"165898"	1893.97944	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+2K-H"	76.91904
"610197"	2802.50964	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+2K-H"	76.91904
"1092158"	985.44924	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2K-H"	76.91904
"142657"	947.493358	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"2M+2K"	77.926316
"584159"	1401.758458	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"3M+2K"	77.926316
"1073047"	493.228258	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2K"	77.926316
"1102975"	987.463792	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2K+H"	78.933592
"1342276"	987.551407	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+DMSO+H"	79.021207
"1012262"	991.590576	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2ACN+H"	83.060376
"1535494"	992.584208	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+IsoProp+Na+H"	84.054008
"1000482"	496.298926	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+2ACN+2H"	84.067652
"1601546"	993.498828	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+K+HCOOH"	84.968628
"1428908"	1023.530338	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+H+CF3COOH"	115.000138
"1162111"	516.812201	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+3ACN+2H"	125.094202
"1701210"	1040.556885	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+NH4+CF3COOH"	132.026685
"1635771"	1045.51228	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+Na+CF3COOH"	136.98208
"1579079"	1061.48622	"C18151"	"7(1)-Hydroxychlorophyll a;7-Hydroxymethylchlorophyll a"	"C55H72MgN4O6"	"908.5302"	"M+K+CF3COOH"	152.95602
"809444"	616.2536	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M"	0
"985164"	597.23521	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-H2O-H"	-19.01839
"67938"	409.828457333333	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M-3H"	-3.021828
"512966"	615.246324	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M-3H"	-3.021828
"892955"	204.410590666667	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-3H"	-3.021828
"11531"	615.246324	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M-2H"	-2.014552
"452551"	923.373124	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M-2H"	-2.014552
"829260"	307.119524	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-2H"	-2.014552
"90710"	1231.499924	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M-H"	-1.007276
"528448"	1847.753524	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M-H"	-1.007276
"902968"	615.246324	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-H"	-1.007276
"59532"	1248.526471	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M-2H+NH4"	16.019271
"498001"	1864.780071	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M-2H+NH4"	16.019271
"878358"	632.272871	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-2H+NH4"	16.019271
"46506"	1253.481866	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M-2H+Na"	20.974666
"483267"	1869.735466	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M-2H+Na"	20.974666
"857787"	637.228266	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-2H+Na"	20.974666
"1633161"	637.228266	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Na-2H"	20.974666
"104953"	633.234663	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M-H+Cl"	33.962126
"545604"	941.361463	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M-H+Cl"	33.962126
"930373"	325.107863	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-H+Cl"	33.962126
"270020"	1267.476602	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+Cl"	34.969402
"670101"	1883.730202	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+Cl"	34.969402
"1275942"	651.223002	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Cl"	34.969402
"27246"	1269.455806	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M-2H+K"	36.948606
"461339"	1885.709406	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M-2H+K"	36.948606
"835859"	653.202206	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-2H+K"	36.948606
"1559346"	653.202206	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+K-2H"	36.948606
"947231"	661.251794	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-H+HCOOH"	44.998194
"372009"	1277.505401	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+HCOOH-H"	44.998201
"358451"	1291.521051	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+Hac-H"	59.013851
"1506431"	675.267451	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Hac-H"	59.013851
"964617"	683.233751	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-H+NaCOOH"	66.980151
"120085"	651.223002	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+2Cl"	69.938804
"557459"	959.349802	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+2Cl"	69.938804
"1030634"	343.096202	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2Cl"	69.938804
"1250212"	695.172485	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Br"	78.918885
"1311566"	697.228472	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Cl+HCOOH"	80.974872
"1334774"	719.210429	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Cl+NaCOOH"	102.956829
"924493"	729.239186	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M-H+CF3COOH"	112.985586
"1297919"	765.215864	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Cl+CF3COOH"	148.962264
"1377177"	581.240924	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H-2H2O"	-35.012676
"1391395"	599.2509	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H-H2O"	-17.0027
"285613"	1233.514476	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+H"	1.007276
"689701"	1849.768076	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+H"	1.007276
"1359853"	617.260876	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H"	1.007276
"138575"	617.260876	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+2H"	2.014552
"578501"	925.387676	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+2H"	2.014552
"1045476"	309.134076	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2H"	2.014552
"215563"	411.843009333333	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+3H"	3.021828
"655125"	617.260876	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+3H"	3.021828
"1173980"	206.425142666667	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+3H"	3.021828
"433244"	1250.541023	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+NH4"	18.033823
"798250"	1866.794623	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+NH4"	18.033823
"1692755"	634.287423	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+NH4"	18.033823
"340305"	625.7741495	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+H+NH4"	19.041099
"731630"	933.9009495	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+H+NH4"	19.041099
"1486180"	317.6473495	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H+NH4"	19.041099
"405967"	1255.496418	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+Na"	22.989218
"764774"	1871.750018	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+Na"	22.989218
"1613967"	639.242818	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Na"	22.989218
"325096"	628.251847	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+H+Na"	23.996494
"717514"	936.378647	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+H+Na"	23.996494
"1474617"	320.125047	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H+Na"	23.996494
"1063486"	213.752456666667	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2H+Na"	25.00377
"1268444"	649.287086	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+CH3OH+H"	33.033486
"384837"	1271.470358	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+K"	38.963158
"746926"	1887.723958	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+K"	38.963158
"1553721"	655.216758	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+K"	38.963158
"313446"	636.238817	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+H+K"	39.970434
"705750"	944.365617	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+H+K"	39.970434
"1460421"	328.112017	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H+K"	39.970434
"246464"	1274.541026	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+ACN+H"	42.033826
"1224039"	658.287426	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+ACN+H"	42.033826
"1207068"	329.647351	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+ACN+2H"	43.041102
"202855"	1277.47836	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+2Na-H"	44.97116
"641321"	1893.73196	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+2Na-H"	44.97116
"1146126"	661.22476	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2Na-H"	44.97116
"187634"	639.242818	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+2Na"	45.978436
"628168"	947.369618	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+2Na"	45.978436
"1129360"	331.116018	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2Na"	45.978436
"1410696"	221.079770666667	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H+2Na"	46.985712
"1436978"	663.266346	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H+HCOOH"	47.012746
"224125"	644.27584	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+3H2O+2H"	56.04448
"1514379"	677.31839	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+IsoProp+H"	61.06479
"420635"	647.229788	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+Na+K"	61.952376
"783458"	955.356588	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+Na+K"	61.952376
"1680154"	339.102988	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Na+K"	61.952376
"265947"	1296.522968	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+ACN+Na"	64.015768
"1240478"	680.269368	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+ACN+Na"	64.015768
"1721713"	680.292893	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+NH4+HCOOH"	64.039293
"1181598"	228.407084666667	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+3Na"	68.967654
"1655134"	685.248288	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Na+HCOOH"	68.994688
"164912"	1309.42624	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+2K-H"	76.91904
"604474"	1925.67984	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+2K-H"	76.91904
"1095550"	693.17264	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2K-H"	76.91904
"146894"	655.216758	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"2M+2K"	77.926316
"585362"	963.343558	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"3M+2K"	77.926316
"1070117"	347.089958	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2K"	77.926316
"1105272"	695.187192	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2K+H"	78.933592
"1339470"	695.274807	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+DMSO+H"	79.021207
"1011281"	699.313976	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2ACN+H"	83.060376
"1536698"	700.307608	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+IsoProp+Na+H"	84.054008
"1000956"	350.160626	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+2ACN+2H"	84.067652
"1596917"	701.222228	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+K+HCOOH"	84.968628
"1421481"	731.253738	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+H+CF3COOH"	115.000138
"1151769"	370.673901	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+3ACN+2H"	125.094202
"1700230"	748.280285	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+NH4+CF3COOH"	132.026685
"1635152"	753.23568	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+Na+CF3COOH"	136.98208
"1579189"	769.20962	"C18152"	"3-Vinylbacteriochlorophyllide a;3-Deacetyl-3-vinylbacteriochlorophyllide a"	"C35H36MgN4O5"	"616.2536"	"M+K+CF3COOH"	152.95602
"803355"	634.2642	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M"	0
"983086"	615.24581	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-H2O-H"	-19.01839
"72421"	421.835524	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M-3H"	-3.021828
"506514"	633.256924	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M-3H"	-3.021828
"881036"	210.414124	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-3H"	-3.021828
"8359"	633.256924	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M-2H"	-2.014552
"443546"	950.389024	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M-2H"	-2.014552
"826816"	316.124824	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-2H"	-2.014552
"91549"	1267.521124	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M-H"	-1.007276
"528558"	1901.785324	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M-H"	-1.007276
"906358"	633.256924	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-H"	-1.007276
"60735"	1284.547671	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M-2H+NH4"	16.019271
"497017"	1918.811871	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M-2H+NH4"	16.019271
"879197"	650.283471	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-2H+NH4"	16.019271
"46990"	1289.503066	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M-2H+Na"	20.974666
"483377"	1923.767266	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M-2H+Na"	20.974666
"857897"	655.238866	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-2H+Na"	20.974666
"1632540"	655.238866	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Na-2H"	20.974666
"105793"	651.245263	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M-H+Cl"	33.962126
"545714"	968.377363	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M-H+Cl"	33.962126
"933763"	334.113163	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-H+Cl"	33.962126
"269766"	1303.497802	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+Cl"	34.969402
"669117"	1937.762002	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+Cl"	34.969402
"1280426"	669.233602	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Cl"	34.969402
"27356"	1305.477006	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M-2H+K"	36.948606
"464729"	1939.741206	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M-2H+K"	36.948606
"839249"	671.212806	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-2H+K"	36.948606
"1559456"	671.212806	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+K-2H"	36.948606
"949527"	679.262394	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-H+HCOOH"	44.998194
"371023"	1313.526601	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+HCOOH-H"	44.998201
"358558"	1327.542251	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+Hac-H"	59.013851
"1506296"	693.278051	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Hac-H"	59.013851
"966915"	701.244351	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-H+NaCOOH"	66.980151
"120925"	669.233602	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+2Cl"	69.938804
"557569"	986.365702	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+2Cl"	69.938804
"1028556"	352.101502	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2Cl"	69.938804
"1250321"	713.183085	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Br"	78.918885
"1311676"	715.239072	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Cl+HCOOH"	80.974872
"1335443"	737.221029	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Cl+NaCOOH"	102.956829
"925821"	747.249786	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M-H+CF3COOH"	112.985586
"1296935"	783.226464	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Cl+CF3COOH"	148.962264
"1377285"	599.251524	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H-2H2O"	-35.012676
"1389318"	617.2615	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H-H2O"	-17.0027
"290096"	1269.535676	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+H"	1.007276
"684707"	1903.799876	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+H"	1.007276
"1359960"	635.271476	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H"	1.007276
"136131"	635.271476	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+2H"	2.014552
"576787"	952.403576	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+2H"	2.014552
"1047773"	318.139376	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2H"	2.014552
"211298"	423.850076	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+3H"	3.021828
"654141"	635.271476	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+3H"	3.021828
"1173360"	212.428676	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+3H"	3.021828
"435540"	1286.562223	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+NH4"	18.033823
"797628"	1920.826423	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+NH4"	18.033823
"1690678"	652.298023	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+NH4"	18.033823
"340778"	643.7847495	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+H+NH4"	19.041099
"733562"	960.9168495	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+H+NH4"	19.041099
"1489937"	326.6526495	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H+NH4"	19.041099
"407898"	1291.517618	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+Na"	22.989218
"763789"	1925.781818	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+Na"	22.989218
"1615169"	657.253418	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Na"	22.989218
"326298"	646.262447	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+H+Na"	23.996494
"719812"	963.394547	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+H+Na"	23.996494
"1470353"	329.130347	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H+Na"	23.996494
"1065417"	219.75599	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2H+Na"	25.00377
"1269283"	667.297686	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+CH3OH+H"	33.033486
"383855"	1307.491558	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+K"	38.963158
"752504"	1941.755758	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+K"	38.963158
"1555209"	673.227358	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+K"	38.963158
"313557"	654.249417	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+H+K"	39.970434
"704884"	971.381517	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+H+K"	39.970434
"1460934"	337.117317	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H+K"	39.970434
"250465"	1310.562226	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+ACN+H"	42.033826
"1223293"	676.298026	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+ACN+H"	42.033826
"1206814"	338.652651	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+ACN+2H"	43.041102
"200777"	1313.49956	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+2Na-H"	44.97116
"640703"	1947.76376	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+2Na-H"	44.97116
"1145668"	679.23536	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2Na-H"	44.97116
"187867"	657.253418	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+2Na"	45.978436
"628283"	974.385518	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+2Na"	45.978436
"1129349"	340.121318	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2Na"	45.978436
"1411535"	227.083304	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H+2Na"	46.985712
"1438546"	681.276946	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H+HCOOH"	47.012746
"225328"	662.28644	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+3H2O+2H"	56.04448
"1518865"	695.32899	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+IsoProp+H"	61.06479
"423174"	665.240388	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+Na+K"	61.952376
"784661"	982.372488	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+Na+K"	61.952376
"1679533"	348.108288	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Na+K"	61.952376
"265691"	1332.544168	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+ACN+Na"	64.015768
"1238400"	698.279968	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+ACN+Na"	64.015768
"1724737"	698.303493	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+NH4+HCOOH"	64.039293
"1189364"	234.410618	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+3Na"	68.967654
"1661809"	703.258888	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Na+HCOOH"	68.994688
"165022"	1345.44744	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+2K-H"	76.91904
"603491"	1979.71164	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+2K-H"	76.91904
"1097847"	711.18324	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2K-H"	76.91904
"144091"	673.227358	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"2M+2K"	77.926316
"586567"	990.359458	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"3M+2K"	77.926316
"1071199"	356.095258	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2K"	77.926316
"1103196"	713.197792	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2K+H"	78.933592
"1340674"	713.285407	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+DMSO+H"	79.021207
"1012484"	717.324576	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2ACN+H"	83.060376
"1536079"	718.318208	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+IsoProp+Na+H"	84.054008
"1002890"	359.165926	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+2ACN+2H"	84.067652
"1600306"	719.232828	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+K+HCOOH"	84.968628
"1422685"	749.264338	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+H+CF3COOH"	115.000138
"1156254"	379.679201	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+3ACN+2H"	125.094202
"1700704"	766.290885	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+NH4+CF3COOH"	132.026685
"1636355"	771.24628	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+Na+CF3COOH"	136.98208
"1579299"	787.22022	"C18153"	"3-Hydroxyethylbacteriochlorophyllide a;3-Deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a"	"C35H38MgN4O6"	"634.2642"	"M+K+CF3COOH"	152.95602
"803102"	632.2485	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M"	0
"983197"	613.23011	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H2O-H"	-19.01839
"69252"	420.491724	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-3H"	-3.021828
"509905"	631.241224	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-3H"	-3.021828
"884426"	209.742224	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-3H"	-3.021828
"9563"	631.241224	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H"	-2.014552
"445843"	947.365474	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H"	-2.014552
"829478"	315.116974	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H"	-2.014552
"90931"	1263.489724	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-H"	-1.007276
"528668"	1895.738224	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-H"	-1.007276
"907198"	631.241224	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H"	-1.007276
"58657"	1280.516271	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H+NH4"	16.019271
"500407"	1912.764771	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H+NH4"	16.019271
"879876"	648.267771	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H+NH4"	16.019271
"47056"	1285.471666	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H+Na"	20.974666
"483487"	1917.720166	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H+Na"	20.974666
"862869"	653.223166	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H+Na"	20.974666
"1633741"	653.223166	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na-2H"	20.974666
"106268"	649.229563	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-H+Cl"	33.962126
"546918"	965.353813	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-H+Cl"	33.962126
"936061"	333.105313	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+Cl"	33.962126
"269150"	1299.466402	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Cl"	34.969402
"669227"	1931.714902	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+Cl"	34.969402
"1281629"	667.217902	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl"	34.969402
"26373"	1301.445606	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H+K"	36.948606
"465933"	1933.694106	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H+K"	36.948606
"840452"	669.197106	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H+K"	36.948606
"1559565"	669.197106	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K-2H"	36.948606
"950731"	677.246694	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+HCOOH"	44.998194
"370040"	1309.495201	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+HCOOH-H"	44.998201
"358670"	1323.510851	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Hac-H"	59.013851
"1505314"	691.262351	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Hac-H"	59.013851
"968118"	699.228651	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+NaCOOH"	66.980151
"121399"	667.217902	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2Cl"	69.938804
"557679"	983.342152	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2Cl"	69.938804
"1028666"	351.093652	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2Cl"	69.938804
"1250431"	711.167385	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Br"	78.918885
"1312879"	713.223372	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl+HCOOH"	80.974872
"1332562"	735.205329	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl+NaCOOH"	102.956829
"925809"	745.234086	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+CF3COOH"	112.985586
"1297046"	781.210764	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl+CF3COOH"	148.962264
"1377395"	597.235824	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H-2H2O"	-35.012676
"1389428"	615.2458	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H-H2O"	-17.0027
"290206"	1265.504276	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H"	1.007276
"684817"	1897.752776	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H"	1.007276
"1360070"	633.255776	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H"	1.007276
"135148"	633.255776	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2H"	2.014552
"577991"	949.380026	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2H"	2.014552
"1049709"	317.131526	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2H"	2.014552
"211408"	422.506276	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+3H"	3.021828
"657410"	633.255776	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+3H"	3.021828
"1175294"	211.756776	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+3H"	3.021828
"437473"	1282.530823	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+NH4"	18.033823
"797740"	1914.779323	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+NH4"	18.033823
"1691883"	650.282323	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+NH4"	18.033823
"342345"	641.7690495	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H+NH4"	19.041099
"732579"	957.8932995	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H+NH4"	19.041099
"1488225"	325.6447995	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+NH4"	19.041099
"402904"	1287.486218	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Na"	22.989218
"764995"	1919.734718	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+Na"	22.989218
"1614186"	655.237718	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na"	22.989218
"324222"	644.246747	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H+Na"	23.996494
"717737"	960.370997	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H+Na"	23.996494
"1471557"	328.122497	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+Na"	23.996494
"1065891"	219.08409	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2H+Na"	25.00377
"1266476"	665.281986	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+CH3OH+H"	33.033486
"382872"	1303.460158	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+K"	38.963158
"752979"	1935.708658	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+K"	38.963158
"1554669"	671.211658	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K"	38.963158
"310749"	652.233717	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H+K"	39.970434
"704263"	968.357967	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H+K"	39.970434
"1460639"	336.109467	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+K"	39.970434
"249967"	1306.530826	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+ACN+H"	42.033826
"1224623"	674.282326	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+ACN+H"	42.033826
"1207653"	337.644801	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+ACN+2H"	43.041102
"203075"	1309.46816	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2Na-H"	44.97116
"640811"	1941.71666	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2Na-H"	44.97116
"1145048"	677.21966	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2Na-H"	44.97116
"186639"	655.237718	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2Na"	45.978436
"626928"	971.361968	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2Na"	45.978436
"1125569"	339.113468	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2Na"	45.978436
"1409093"	226.411404	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+2Na"	46.985712
"1436834"	679.261246	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+HCOOH"	47.012746
"226531"	660.27074	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+3H2O+2H"	56.04448
"1514602"	693.31329	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+IsoProp+H"	61.06479
"423282"	663.224688	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Na+K"	61.952376
"785013"	979.348938	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+Na+K"	61.952376
"1680124"	347.100438	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na+K"	61.952376
"265676"	1328.512768	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+ACN+Na"	64.015768
"1239606"	696.264268	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+ACN+Na"	64.015768
"1725211"	696.287793	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+NH4+HCOOH"	64.039293
"1192025"	233.738718	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+3Na"	68.967654
"1662647"	701.243188	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na+HCOOH"	68.994688
"166226"	1341.41604	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2K-H"	76.91904
"605788"	1973.66454	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2K-H"	76.91904
"1096865"	709.16754	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2K-H"	76.91904
"144929"	671.211658	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2K"	77.926316
"585583"	987.335908	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2K"	77.926316
"1072281"	355.087408	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2K"	77.926316
"1102455"	711.182092	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2K+H"	78.933592
"1338597"	711.269707	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+DMSO+H"	79.021207
"1011499"	715.308876	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2ACN+H"	83.060376
"1536188"	716.302508	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+IsoProp+Na+H"	84.054008
"1003730"	358.158076	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2ACN+2H"	84.067652
"1601509"	717.217128	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K+HCOOH"	84.968628
"1424982"	747.248638	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+CF3COOH"	115.000138
"1155270"	378.671351	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+3ACN+2H"	125.094202
"1698265"	764.275185	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+NH4+CF3COOH"	132.026685
"1634643"	769.23058	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na+CF3COOH"	136.98208
"1579409"	785.20452	"C18154"	"3-Hydroxyethylchlorophyllide a;3-Devinyl-3-(1-hydroxyethyl)chlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K+CF3COOH"	152.95602
"809773"	632.2485	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M"	0
"983307"	613.23011	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H2O-H"	-19.01839
"71550"	420.491724	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-3H"	-3.021828
"513296"	631.241224	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-3H"	-3.021828
"884536"	209.742224	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-3H"	-3.021828
"8580"	631.241224	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H"	-2.014552
"445953"	947.365474	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H"	-2.014552
"829224"	315.116974	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H"	-2.014552
"93597"	1263.489724	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-H"	-1.007276
"533400"	1895.738224	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-H"	-1.007276
"909498"	631.241224	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H"	-1.007276
"60470"	1280.516271	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H+NH4"	16.019271
"497237"	1912.764771	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H+NH4"	16.019271
"877715"	648.267771	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H+NH4"	16.019271
"46308"	1285.471666	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H+Na"	20.974666
"486150"	1917.720166	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H+Na"	20.974666
"862615"	653.223166	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H+Na"	20.974666
"1630939"	653.223166	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na-2H"	20.974666
"105284"	649.229563	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-H+Cl"	33.962126
"544843"	965.353813	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-H+Cl"	33.962126
"936170"	333.105313	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+Cl"	33.962126
"272540"	1299.466402	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Cl"	34.969402
"669337"	1931.714902	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+Cl"	34.969402
"1285019"	667.217902	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl"	34.969402
"29763"	1301.445606	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M-2H+K"	36.948606
"466043"	1933.694106	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M-2H+K"	36.948606
"839469"	669.197106	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-2H+K"	36.948606
"1560769"	669.197106	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K-2H"	36.948606
"957037"	677.246694	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+HCOOH"	44.998194
"375982"	1309.495201	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+HCOOH-H"	44.998201
"358780"	1323.510851	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Hac-H"	59.013851
"1503968"	691.262351	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Hac-H"	59.013851
"967133"	699.228651	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+NaCOOH"	66.980151
"120416"	667.217902	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2Cl"	69.938804
"555602"	983.342152	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2Cl"	69.938804
"1029868"	351.093652	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2Cl"	69.938804
"1247259"	711.167385	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Br"	78.918885
"1316268"	713.223372	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl+HCOOH"	80.974872
"1331578"	735.205329	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl+NaCOOH"	102.956829
"925191"	745.234086	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M-H+CF3COOH"	112.985586
"1293875"	781.210764	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Cl+CF3COOH"	148.962264
"1376412"	597.235824	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H-2H2O"	-35.012676
"1391724"	615.2458	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H-H2O"	-17.0027
"290316"	1265.504276	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H"	1.007276
"687113"	1897.752776	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H"	1.007276
"1360179"	633.255776	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H"	1.007276
"135256"	633.255776	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2H"	2.014552
"573725"	949.380026	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2H"	2.014552
"1051032"	317.131526	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2H"	2.014552
"215894"	422.506276	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+3H"	3.021828
"657399"	633.255776	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+3H"	3.021828
"1172486"	211.756776	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+3H"	3.021828
"429925"	1282.530823	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+NH4"	18.033823
"794568"	1914.779323	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+NH4"	18.033823
"1690897"	650.282323	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+NH4"	18.033823
"340268"	641.7690495	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H+NH4"	19.041099
"730866"	957.8932995	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H+NH4"	19.041099
"1483592"	325.6447995	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+NH4"	19.041099
"404831"	1287.486218	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Na"	22.989218
"766198"	1919.734718	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+Na"	22.989218
"1614295"	655.237718	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na"	22.989218
"324332"	644.246747	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H+Na"	23.996494
"716754"	960.370997	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H+Na"	23.996494
"1470574"	328.122497	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+Na"	23.996494
"1064907"	219.08409	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2H+Na"	25.00377
"1265493"	665.281986	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+CH3OH+H"	33.033486
"381889"	1303.460158	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+K"	38.963158
"748351"	1935.708658	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+K"	38.963158
"1551498"	671.211658	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K"	38.963158
"310859"	652.233717	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+H+K"	39.970434
"704739"	968.357967	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+H+K"	39.970434
"1460993"	336.109467	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+K"	39.970434
"250321"	1306.530826	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+ACN+H"	42.033826
"1224125"	674.282326	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+ACN+H"	42.033826
"1208127"	337.644801	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+ACN+2H"	43.041102
"201727"	1309.46816	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2Na-H"	44.97116
"640557"	1941.71666	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2Na-H"	44.97116
"1144188"	677.21966	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2Na-H"	44.97116
"185655"	655.237718	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2Na"	45.978436
"625824"	971.361968	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2Na"	45.978436
"1126772"	339.113468	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2Na"	45.978436
"1410297"	226.411404	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+2Na"	46.985712
"1438039"	679.261246	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+HCOOH"	47.012746
"226640"	660.27074	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+3H2O+2H"	56.04448
"1514712"	693.31329	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+IsoProp+H"	61.06479
"423515"	663.224688	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+Na+K"	61.952376
"783793"	979.348938	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+Na+K"	61.952376
"1680115"	347.100438	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na+K"	61.952376
"265790"	1328.512768	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+ACN+Na"	64.015768
"1240203"	696.264268	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+ACN+Na"	64.015768
"1723133"	696.287793	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+NH4+HCOOH"	64.039293
"1191403"	233.738718	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+3Na"	68.967654
"1661663"	701.243188	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na+HCOOH"	68.994688
"164150"	1341.41604	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2K-H"	76.91904
"604805"	1973.66454	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2K-H"	76.91904
"1095516"	709.16754	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2K-H"	76.91904
"144309"	671.211658	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"2M+2K"	77.926316
"584962"	987.335908	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"3M+2K"	77.926316
"1069839"	355.087408	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2K"	77.926316
"1100621"	711.182092	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2K+H"	78.933592
"1338707"	711.269707	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+DMSO+H"	79.021207
"1011610"	715.308876	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2ACN+H"	83.060376
"1535206"	716.302508	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+IsoProp+Na+H"	84.054008
"1005055"	358.158076	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+2ACN+2H"	84.067652
"1599434"	717.217128	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K+HCOOH"	84.968628
"1422906"	747.248638	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+H+CF3COOH"	115.000138
"1154287"	378.671351	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+3ACN+2H"	125.094202
"1699464"	764.275185	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+NH4+CF3COOH"	132.026685
"1635117"	769.23058	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+Na+CF3COOH"	136.98208
"1579519"	785.20452	"C18155"	"Bacteriochlorophyllide a"	"C35H36MgN4O6"	"632.2485"	"M+K+CF3COOH"	152.95602
"802226"	630.2329	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M"	0
"983417"	611.21451	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-H2O-H"	-19.01839
"69472"	419.147990666667	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M-3H"	-3.021828
"510126"	629.225624	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M-3H"	-3.021828
"885739"	209.070357333333	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-3H"	-3.021828
"8690"	629.225624	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M-2H"	-2.014552
"446063"	944.342074	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M-2H"	-2.014552
"830426"	314.109174	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-2H"	-2.014552
"93827"	1259.458524	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M-H"	-1.007276
"533514"	1889.691424	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M-H"	-1.007276
"909121"	629.225624	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-H"	-1.007276
"60701"	1276.485071	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M-2H+NH4"	16.019271
"497346"	1906.717971	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M-2H+NH4"	16.019271
"875150"	646.252171	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-2H+NH4"	16.019271
"46091"	1281.440466	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M-2H+Na"	20.974666
"485530"	1911.673366	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M-2H+Na"	20.974666
"863332"	651.207566	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-2H+Na"	20.974666
"1631048"	651.207566	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Na-2H"	20.974666
"102113"	647.213963	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M-H+Cl"	33.962126
"541672"	962.330413	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M-H+Cl"	33.962126
"931907"	332.097513	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-H+Cl"	33.962126
"269005"	1295.435202	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+Cl"	34.969402
"667261"	1925.668102	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+Cl"	34.969402
"1280756"	665.202302	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Cl"	34.969402
"27686"	1297.414406	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M-2H+K"	36.948606
"466153"	1927.647306	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M-2H+K"	36.948606
"837392"	667.181506	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-2H+K"	36.948606
"1558692"	667.181506	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+K-2H"	36.948606
"954231"	675.231094	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-H+HCOOH"	44.998194
"373540"	1305.464001	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+HCOOH-H"	44.998201
"357433"	1319.479651	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+Hac-H"	59.013851
"1506627"	689.246751	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Hac-H"	59.013851
"969430"	697.213051	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-H+NaCOOH"	66.980151
"121620"	665.202302	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+2Cl"	69.938804
"554619"	980.318752	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+2Cl"	69.938804
"1029978"	350.085852	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2Cl"	69.938804
"1245182"	709.151785	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Br"	78.918885
"1316378"	711.207772	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Cl+HCOOH"	80.974872
"1332780"	733.189729	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Cl+NaCOOH"	102.956829
"923841"	743.218486	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M-H+CF3COOH"	112.985586
"1293985"	779.195164	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Cl+CF3COOH"	148.962264
"1379802"	595.220224	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H-2H2O"	-35.012676
"1391834"	613.2302	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H-H2O"	-17.0027
"289333"	1261.473076	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+H"	1.007276
"686130"	1891.705976	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+H"	1.007276
"1358103"	631.240176	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H"	1.007276
"135365"	631.240176	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+2H"	2.014552
"577115"	946.356626	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+2H"	2.014552
"1049196"	316.123726	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2H"	2.014552
"216004"	421.162542666667	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+3H"	3.021828
"658602"	631.240176	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+3H"	3.021828
"1172596"	211.084909333333	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+3H"	3.021828
"438054"	1278.499623	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+NH4"	18.033823
"796863"	1908.732523	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+NH4"	18.033823
"1688091"	648.266723	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+NH4"	18.033823
"333451"	639.7534495	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+H+NH4"	19.041099
"730612"	954.8698995	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+H+NH4"	19.041099
"1483338"	324.6369995	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H+NH4"	19.041099
"404209"	1283.455018	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+Na"	22.989218
"767038"	1913.687918	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+Na"	22.989218
"1613313"	653.222118	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Na"	22.989218
"325536"	642.231147	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+H+Na"	23.996494
"715772"	957.347597	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+H+Na"	23.996494
"1473598"	327.114697	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H+Na"	23.996494
"1065017"	218.412223333333	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2H+Na"	25.00377
"1266696"	663.266386	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+CH3OH+H"	33.033486
"383092"	1299.428958	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+K"	38.963158
"748463"	1929.661858	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+K"	38.963158
"1551245"	669.196058	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+K"	38.963158
"309513"	650.218117	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+H+K"	39.970434
"704120"	965.334567	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+H+K"	39.970434
"1460493"	335.101667	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H+K"	39.970434
"249823"	1302.499626	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+ACN+H"	42.033826
"1223260"	672.266726	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+ACN+H"	42.033826
"1207872"	336.637001	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+ACN+2H"	43.041102
"200744"	1305.43696	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+2Na-H"	44.97116
"641031"	1935.66986	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+2Na-H"	44.97116
"1146004"	675.20406	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2Na-H"	44.97116
"187469"	653.222118	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+2Na"	45.978436
"627640"	968.338568	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+2Na"	45.978436
"1125789"	338.105668	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2Na"	45.978436
"1411867"	225.739537333333	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H+2Na"	46.985712
"1438150"	677.245646	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H+HCOOH"	47.012746
"226750"	658.25514	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+3H2O+2H"	56.04448
"1517007"	691.29769	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+IsoProp+H"	61.06479
"423141"	661.209088	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+Na+K"	61.952376
"784627"	976.325538	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+Na+K"	61.952376
"1680469"	346.092638	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Na+K"	61.952376
"265899"	1324.481568	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+ACN+Na"	64.015768
"1239828"	694.248668	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+ACN+Na"	64.015768
"1724337"	694.272193	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+NH4+HCOOH"	64.039293
"1190784"	233.066851333333	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+3Na"	68.967654
"1660681"	699.227588	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Na+HCOOH"	68.994688
"162074"	1337.38484	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+2K-H"	76.91904
"600540"	1967.61774	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+2K-H"	76.91904
"1088336"	707.15194	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2K-H"	76.91904
"144419"	669.196058	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"2M+2K"	77.926316
"585802"	984.312508	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"3M+2K"	77.926316
"1070316"	354.079608	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2K"	77.926316
"1100367"	709.166492	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2K+H"	78.933592
"1337724"	709.254107	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+DMSO+H"	79.021207
"1012815"	713.293276	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2ACN+H"	83.060376
"1538475"	714.286908	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+IsoProp+Na+H"	84.054008
"1004928"	357.150276	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+2ACN+2H"	84.067652
"1599545"	715.201528	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+K+HCOOH"	84.968628
"1425202"	745.233038	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+H+CF3COOH"	115.000138
"1153303"	377.663551	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+3ACN+2H"	125.094202
"1699209"	762.259585	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+NH4+CF3COOH"	132.026685
"1634861"	767.21498	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+Na+CF3COOH"	136.98208
"1579629"	783.18892	"C18156"	"Bacteriochlorophyllide b"	"C35H34MgN4O6"	"630.2329"	"M+K+CF3COOH"	152.95602
"803432"	556.2325	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M"	0
"986807"	537.21411	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-H2O-H"	-19.01839
"75050"	369.814390666667	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M-3H"	-3.021828
"516070"	555.225224	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M-3H"	-3.021828
"892411"	184.403557333333	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-3H"	-3.021828
"13904"	555.225224	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M-2H"	-2.014552
"452371"	833.341474	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M-2H"	-2.014552
"832759"	277.108974	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-2H"	-2.014552
"94061"	1111.457724	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M-H"	-1.007276
"534070"	1667.690224	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M-H"	-1.007276
"909719"	555.225224	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-H"	-1.007276
"61542"	1128.484271	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M-2H+NH4"	16.019271
"499278"	1684.716771	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M-2H+NH4"	16.019271
"869792"	572.251771	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-2H+NH4"	16.019271
"39882"	1133.439666	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M-2H+Na"	20.974666
"486613"	1689.672166	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M-2H+Na"	20.974666
"861619"	577.207166	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-2H+Na"	20.974666
"1630795"	577.207166	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Na-2H"	20.974666
"104411"	573.213563	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M-H+Cl"	33.962126
"545062"	851.329813	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M-H+Cl"	33.962126
"935298"	295.097313	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-H+Cl"	33.962126
"272761"	1147.434402	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+Cl"	34.969402
"666278"	1703.666902	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+Cl"	34.969402
"1285240"	591.201902	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Cl"	34.969402
"28526"	1149.413606	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M-2H+K"	36.948606
"468450"	1705.646106	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M-2H+K"	36.948606
"840783"	593.181106	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-2H+K"	36.948606
"1565364"	593.181106	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+K-2H"	36.948606
"956166"	601.230694	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-H+HCOOH"	44.998194
"373286"	1157.463201	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+HCOOH-H"	44.998201
"358636"	1171.478851	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+Hac-H"	59.013851
"1507829"	615.246351	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Hac-H"	59.013851
"970270"	623.212651	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-H+NaCOOH"	66.980151
"117358"	591.201902	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+2Cl"	69.938804
"558009"	869.318152	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+2Cl"	69.938804
"1032275"	313.085652	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2Cl"	69.938804
"1250760"	635.151385	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Br"	78.918885
"1319650"	637.207372	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Cl+HCOOH"	80.974872
"1330704"	659.189329	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Cl+NaCOOH"	102.956829
"921764"	669.218086	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M-H+CF3COOH"	112.985586
"1295188"	705.194764	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Cl+CF3COOH"	148.962264
"1375539"	521.219824	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H-2H2O"	-35.012676
"1394133"	539.2298	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H-H2O"	-17.0027
"291630"	1113.472276	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+H"	1.007276
"685147"	1669.704776	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+H"	1.007276
"1357120"	557.239776	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H"	1.007276
"134382"	557.239776	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+2H"	2.014552
"575038"	835.356026	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+2H"	2.014552
"1048213"	279.123526	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2H"	2.014552
"216114"	371.828942666667	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+3H"	3.021828
"657860"	557.239776	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+3H"	3.021828
"1169424"	186.418109333333	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+3H"	3.021828
"434884"	1130.498823	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+NH4"	18.033823
"792599"	1686.731323	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+NH4"	18.033823
"1688930"	574.266323	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+NH4"	18.033823
"332104"	565.7530495	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+H+NH4"	19.041099
"727442"	843.8692995	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+H+NH4"	19.041099
"1483448"	287.6367995	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H+NH4"	19.041099
"404320"	1135.454218	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+Na"	22.989218
"766422"	1691.686718	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+Na"	22.989218
"1614519"	579.221718	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Na"	22.989218
"326740"	568.230747	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+H+Na"	23.996494
"718068"	846.346997	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+H+Na"	23.996494
"1473710"	290.114497	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H+Na"	23.996494
"1065128"	193.745423333333	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2H+Na"	25.00377
"1271181"	589.265986	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+CH3OH+H"	33.033486
"388305"	1151.428158	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+K"	38.963158
"749666"	1707.660658	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+K"	38.963158
"1553542"	595.195658	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+K"	38.963158
"308893"	576.217717	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+H+K"	39.970434
"703502"	854.333967	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+H+K"	39.970434
"1459508"	298.101467	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H+K"	39.970434
"248475"	1154.498826	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+ACN+H"	42.033826
"1223735"	598.266326	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+ACN+H"	42.033826
"1207982"	299.636801	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+ACN+2H"	43.041102
"201582"	1157.43616	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+2Na-H"	44.97116
"640413"	1713.66866	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+2Na-H"	44.97116
"1145380"	601.20366	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2Na-H"	44.97116
"187579"	579.221718	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+2Na"	45.978436
"627629"	857.337968	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+2Na"	45.978436
"1125899"	301.105468	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2Na"	45.978436
"1408330"	201.072737333333	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H+2Na"	46.985712
"1433885"	603.245246	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H+HCOOH"	47.012746
"224673"	584.25474	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+3H2O+2H"	56.04448
"1516024"	617.29729	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+IsoProp+H"	61.06479
"423492"	587.208688	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+Na+K"	61.952376
"784495"	865.324938	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+Na+K"	61.952376
"1680340"	309.092438	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Na+K"	61.952376
"266135"	1176.480768	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+ACN+Na"	64.015768
"1239811"	620.248268	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+ACN+Na"	64.015768
"1722261"	620.271793	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+NH4+HCOOH"	64.039293
"1189802"	208.400051333333	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+3Na"	68.967654
"1662977"	625.227188	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Na+HCOOH"	68.994688
"165463"	1189.38404	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+2K-H"	76.91904
"601744"	1745.61654	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+2K-H"	76.91904
"1091726"	633.15154	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2K-H"	76.91904
"144165"	595.195658	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"2M+2K"	77.926316
"589197"	873.311908	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"3M+2K"	77.926316
"1071521"	317.079408	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2K"	77.926316
"1101449"	635.166092	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2K+H"	78.933592
"1341114"	635.253707	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+DMSO+H"	79.021207
"1018395"	639.292876	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2ACN+H"	83.060376
"1539562"	640.286508	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+IsoProp+Na+H"	84.054008
"1005282"	320.150076	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+2ACN+2H"	84.067652
"1600749"	641.201128	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+K+HCOOH"	84.968628
"1426407"	671.232638	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+H+CF3COOH"	115.000138
"1157788"	340.663351	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+3ACN+2H"	125.094202
"1698223"	688.259185	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+NH4+CF3COOH"	132.026685
"1635699"	693.21458	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+Na+CF3COOH"	136.98208
"1579739"	709.18852	"C18157"	"3-Vinylbacteriochlorophyllide d"	"C33H32MgN4O3"	"556.2325"	"M+K+CF3COOH"	152.95602
"802079"	248.1889	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M"	0
"986917"	229.17051	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-H2O-H"	-19.01839
"76253"	164.451990666667	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M-3H"	-3.021828
"513628"	247.181624	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M-3H"	-3.021828
"890334"	81.7223573333333	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-3H"	-3.021828
"14014"	247.181624	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M-2H"	-2.014552
"452844"	371.276074	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M-2H"	-2.014552
"832439"	123.087174	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-2H"	-2.014552
"93316"	495.370524	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M-H"	-1.007276
"533446"	743.559424	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M-H"	-1.007276
"910071"	247.181624	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-H"	-1.007276
"61774"	512.397071	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M-2H+NH4"	16.019271
"498660"	760.585971	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M-2H+NH4"	16.019271
"876464"	264.208171	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-2H+NH4"	16.019271
"36710"	517.352466	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M-2H+Na"	20.974666
"485022"	765.541366	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M-2H+Na"	20.974666
"862822"	269.163566	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-2H+Na"	20.974666
"1629077"	269.163566	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Na-2H"	20.974666
"103426"	265.169963	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M-H+Cl"	33.962126
"547359"	389.264413	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M-H+Cl"	33.962126
"936501"	141.075513	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-H+Cl"	33.962126
"273964"	531.347202	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+Cl"	34.969402
"668575"	779.536102	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+Cl"	34.969402
"1286079"	283.158302	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Cl"	34.969402
"29000"	533.326406	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M-2H+K"	36.948606
"468560"	781.515306	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M-2H+K"	36.948606
"844174"	285.137506	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-2H+K"	36.948606
"1565474"	285.137506	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+K-2H"	36.948606
"957005"	293.187094	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-H+HCOOH"	44.998194
"374126"	541.376001	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+HCOOH-H"	44.998201
"359716"	555.391651	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+Hac-H"	59.013851
"1507091"	307.202751	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Hac-H"	59.013851
"967463"	315.169051	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-H+NaCOOH"	66.980151
"119655"	283.158302	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+2Cl"	69.938804
"562493"	407.252752	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+2Cl"	69.938804
"1034572"	159.063852	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2Cl"	69.938804
"1255243"	327.107785	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Br"	78.918885
"1319717"	329.163772	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Cl+HCOOH"	80.974872
"1328627"	351.145729	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Cl+NaCOOH"	102.956829
"926613"	361.174486	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M-H+CF3COOH"	112.985586
"1292020"	397.151164	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Cl+CF3COOH"	148.962264
"1374556"	213.176224	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H-2H2O"	-35.012676
"1395337"	231.1862	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H-H2O"	-17.0027
"291741"	497.385076	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+H"	1.007276
"685257"	745.573976	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+H"	1.007276
"1358323"	249.196176	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H"	1.007276
"133399"	249.196176	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+2H"	2.014552
"574055"	373.290626	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+2H"	2.014552
"1048323"	125.101726	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2H"	2.014552
"215131"	166.466542666667	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+3H"	3.021828
"656877"	249.196176	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+3H"	3.021828
"1170627"	83.7369093333333	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+3H"	3.021828
"433902"	514.411623	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+NH4"	18.033823
"794896"	762.600523	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+NH4"	18.033823
"1689040"	266.222723	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+NH4"	18.033823
"338412"	257.7094495	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+H+NH4"	19.041099
"731928"	381.8038995	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+H+NH4"	19.041099
"1486840"	133.6149995	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H+NH4"	19.041099
"402245"	519.367018	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+Na"	22.989218
"767624"	767.555918	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+Na"	22.989218
"1614630"	271.178118	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Na"	22.989218
"325757"	260.187147	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+H+Na"	23.996494
"718178"	384.281597	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+H+Na"	23.996494
"1471998"	136.092697	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H+Na"	23.996494
"1064146"	91.0642233333333	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2H+Na"	25.00377
"1266919"	281.222386	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+CH3OH+H"	33.033486
"389146"	535.340958	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+K"	38.963158
"747591"	783.529858	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+K"	38.963158
"1553651"	287.152058	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+K"	38.963158
"310097"	268.174117	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+H+K"	39.970434
"704706"	392.268567	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+H+K"	39.970434
"1459984"	144.079667	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H+K"	39.970434
"248586"	538.411626	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+ACN+H"	42.033826
"1222023"	290.222726	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+ACN+H"	42.033826
"1204812"	145.615001	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+ACN+2H"	43.041102
"200598"	541.34896	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+2Na-H"	44.97116
"639065"	789.53786	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+2Na-H"	44.97116
"1140747"	293.16006	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2Na-H"	44.97116
"182944"	271.178118	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+2Na"	45.978436
"625786"	395.272568	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+2Na"	45.978436
"1124916"	147.083668	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2Na"	45.978436
"1406253"	98.3915373333333	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H+2Na"	46.985712
"1432173"	295.201646	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H+HCOOH"	47.012746
"222961"	276.21114	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+3H2O+2H"	56.04448
"1512855"	309.25369	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+IsoProp+H"	61.06479
"423483"	279.165088	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+Na+K"	61.952376
"784845"	403.259538	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+Na+K"	61.952376
"1680086"	155.070638	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Na+K"	61.952376
"266934"	560.393568	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+ACN+Na"	64.015768
"1239800"	312.204668	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+ACN+Na"	64.015768
"1723464"	312.228193	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+NH4+HCOOH"	64.039293
"1191857"	105.718851333333	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+3Na"	68.967654
"1664179"	317.183588	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Na+HCOOH"	68.994688
"166667"	573.29684	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+2K-H"	76.91904
"602947"	821.48574	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+2K-H"	76.91904
"1094023"	325.10794	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2K-H"	76.91904
"142088"	287.152058	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"2M+2K"	77.926316
"586025"	411.246508	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"3M+2K"	77.926316
"1077100"	163.057608	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2K"	77.926316
"1103744"	327.122492	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2K+H"	78.933592
"1341225"	327.210107	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+DMSO+H"	79.021207
"1019598"	331.249276	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2ACN+H"	83.060376
"1539184"	332.242908	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+IsoProp+Na+H"	84.054008
"1003075"	166.128276	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+2ACN+2H"	84.067652
"1599765"	333.157528	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+K+HCOOH"	84.968628
"1426517"	363.189038	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+H+CF3COOH"	115.000138
"1156806"	186.641551	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+3ACN+2H"	125.094202
"1700158"	380.215585	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+NH4+CF3COOH"	132.026685
"1635445"	385.17098	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+Na+CF3COOH"	136.98208
"1579849"	401.14492	"C18158"	"17-Oxosparteine"	"C15H24N2O"	"248.1889"	"M+K+CF3COOH"	152.95602
"810218"	342.1467	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M"	0
"989498"	323.12831	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-H2O-H"	-19.01839
"76003"	227.090524	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M-3H"	-3.021828
"517387"	341.139424	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M-3H"	-3.021828
"894221"	113.041624	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-3H"	-3.021828
"11216"	341.139424	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M-2H"	-2.014552
"452598"	512.212774	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M-2H"	-2.014552
"827482"	170.066074	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-2H"	-2.014552
"89659"	683.286124	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M-H"	-1.007276
"521929"	1025.432824	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M-H"	-1.007276
"897668"	341.139424	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-H"	-1.007276
"48518"	700.312671	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M-2H+NH4"	16.019271
"490755"	1042.459371	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M-2H+NH4"	16.019271
"870025"	358.165971	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-2H+NH4"	16.019271
"34278"	705.268066	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M-2H+Na"	20.974666
"480764"	1047.414766	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M-2H+Na"	20.974666
"853097"	363.121366	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-2H+Na"	20.974666
"1623723"	363.121366	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Na-2H"	20.974666
"102440"	359.127763	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M-H+Cl"	33.962126
"537991"	530.201113	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M-H+Cl"	33.962126
"932602"	188.054413	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-H+Cl"	33.962126
"278451"	719.262802	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+Cl"	34.969402
"669779"	1061.409502	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+Cl"	34.969402
"1284371"	377.116102	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Cl"	34.969402
"28386"	721.242006	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M-2H+K"	36.948606
"465395"	1063.388706	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M-2H+K"	36.948606
"846478"	379.095306	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-2H+K"	36.948606
"1567779"	379.095306	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+K-2H"	36.948606
"949464"	387.144894	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-H+HCOOH"	44.998194
"376552"	729.291601	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+HCOOH-H"	44.998201
"356667"	743.307251	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+Hac-H"	59.013851
"1506593"	401.160551	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Hac-H"	59.013851
"970853"	409.126851	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-H+NaCOOH"	66.980151
"123043"	377.116102	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+2Cl"	69.938804
"564670"	548.189452	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+2Cl"	69.938804
"1031404"	206.042752	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2Cl"	69.938804
"1250984"	421.065585	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Br"	78.918885
"1311615"	423.121572	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Cl+HCOOH"	80.974872
"1328747"	445.103529	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Cl+NaCOOH"	102.956829
"919806"	455.132286	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M-H+CF3COOH"	112.985586
"1297607"	491.108964	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Cl+CF3COOH"	148.962264
"1375767"	307.134024	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H-2H2O"	-35.012676
"1395450"	325.144	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H-H2O"	-17.0027
"291855"	685.300676	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+H"	1.007276
"685368"	1027.447376	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+H"	1.007276
"1354792"	343.153976	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H"	1.007276
"129868"	343.153976	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+2H"	2.014552
"571250"	514.227326	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+2H"	2.014552
"1042963"	172.080626	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2H"	2.014552
"207583"	229.105076	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+3H"	3.021828
"651517"	343.153976	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+3H"	3.021828
"1169641"	115.056176	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+3H"	3.021828
"432915"	702.327223	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+NH4"	18.033823
"797199"	1044.473923	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+NH4"	18.033823
"1685880"	360.180523	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+NH4"	18.033823
"344731"	351.6672495	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+H+NH4"	19.041099
"737152"	522.7405995	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+H+NH4"	19.041099
"1486959"	180.5938995	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H+NH4"	19.041099
"404546"	707.282618	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+Na"	22.989218
"766637"	1049.429318	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+Na"	22.989218
"1614734"	365.135918	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Na"	22.989218
"322587"	354.144947	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+H+Na"	23.996494
"711729"	525.218297	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+H+Na"	23.996494
"1463361"	183.071597	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H+Na"	23.996494
"1056606"	122.38349	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2H+Na"	25.00377
"1265576"	375.180186	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+CH3OH+H"	33.033486
"387794"	723.256558	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+K"	38.963158
"751708"	1065.403258	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+K"	38.963158
"1552668"	381.109858	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+K"	38.963158
"308384"	362.131917	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+H+K"	39.970434
"704085"	533.205267	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+H+K"	39.970434
"1460700"	191.058567	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H+K"	39.970434
"248696"	726.327226	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+ACN+H"	42.033826
"1222499"	384.180526	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+ACN+H"	42.033826
"1207476"	192.593901	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+ACN+2H"	43.041102
"201073"	729.26456	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+2Na-H"	44.97116
"639539"	1071.41126	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+2Na-H"	44.97116
"1136486"	387.11786	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2Na-H"	44.97116
"181237"	365.135918	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+2Na"	45.978436
"626996"	536.209268	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+2Na"	45.978436
"1131243"	194.062568	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2Na"	45.978436
"1410751"	129.710804	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H+2Na"	46.985712
"1442867"	389.159446	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H+HCOOH"	47.012746
"230377"	370.16894	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+3H2O+2H"	56.04448
"1518441"	403.21149	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+IsoProp+H"	61.06479
"417037"	373.122888	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+Na+K"	61.952376
"778032"	544.196238	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+Na+K"	61.952376
"1675457"	202.049538	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Na+K"	61.952376
"256514"	748.309168	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+ACN+Na"	64.015768
"1232504"	406.162468	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+ACN+Na"	64.015768
"1718107"	406.185993	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+NH4+HCOOH"	64.039293
"1179816"	137.038118	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+3Na"	68.967654
"1652627"	411.141388	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Na+HCOOH"	68.994688
"162402"	761.21244	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+2K-H"	76.91904
"599774"	1103.35914	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+2K-H"	76.91904
"1089754"	419.06574	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2K-H"	76.91904
"143290"	381.109858	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"2M+2K"	77.926316
"593785"	552.183208	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"3M+2K"	77.926316
"1080484"	210.036508	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2K"	77.926316
"1101908"	421.080292	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2K+H"	78.933592
"1339146"	421.167907	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+DMSO+H"	79.021207
"1008764"	425.207076	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2ACN+H"	83.060376
"1526283"	426.200708	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+IsoProp+Na+H"	84.054008
"994438"	213.107176	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+2ACN+2H"	84.067652
"1592226"	427.115328	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+K+HCOOH"	84.968628
"1426634"	457.146838	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+H+CF3COOH"	115.000138
"1153643"	233.620451	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+3ACN+2H"	125.094202
"1706475"	474.173385	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+NH4+CF3COOH"	132.026685
"1639938"	479.12878	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+Na+CF3COOH"	136.98208
"1571698"	495.10272	"C18164"	"Deoxymiroestrol"	"C20H22O5"	"342.1467"	"M+K+CF3COOH"	152.95602
"810328"	298.1205	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M"	0
"988968"	279.10211	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-H2O-H"	-19.01839
"72104"	197.739724	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M-3H"	-3.021828
"513852"	297.113224	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M-3H"	-3.021828
"893845"	98.366224	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-3H"	-3.021828
"13509"	297.113224	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M-2H"	-2.014552
"454167"	446.173474	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M-2H"	-2.014552
"828686"	148.052974	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-2H"	-2.014552
"90863"	595.233724	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M-H"	-1.007276
"522769"	893.354224	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M-H"	-1.007276
"897657"	297.113224	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-H"	-1.007276
"48387"	612.260271	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M-2H+NH4"	16.019271
"489406"	910.380771	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M-2H+NH4"	16.019271
"867948"	314.139771	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-2H+NH4"	16.019271
"37669"	617.215666	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M-2H+Na"	20.974666
"479781"	915.336166	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M-2H+Na"	20.974666
"852478"	319.095166	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-2H+Na"	20.974666
"1627113"	319.095166	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Na-2H"	20.974666
"104737"	315.101563	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M-H+Cl"	33.962126
"542112"	464.161813	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M-H+Cl"	33.962126
"933806"	166.041313	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-H+Cl"	33.962126
"275281"	631.210402	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+Cl"	34.969402
"665514"	929.330902	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+Cl"	34.969402
"1279012"	333.089902	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Cl"	34.969402
"25943"	633.189606	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M-2H+K"	36.948606
"465503"	931.310106	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M-2H+K"	36.948606
"843306"	335.069106	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-2H+K"	36.948606
"1565703"	335.069106	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+K-2H"	36.948606
"949574"	343.118694	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-H+HCOOH"	44.998194
"372893"	641.239201	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+HCOOH-H"	44.998201
"353498"	655.254851	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+Hac-H"	59.013851
"1504152"	357.134351	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Hac-H"	59.013851
"967683"	365.100651	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-H+NaCOOH"	66.980151
"120964"	333.089902	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+2Cl"	69.938804
"561618"	482.150152	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+2Cl"	69.938804
"1026046"	184.029652	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2Cl"	69.938804
"1245626"	377.039385	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Br"	78.918885
"1312452"	379.095372	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Cl+HCOOH"	80.974872
"1325939"	401.077329	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Cl+NaCOOH"	102.956829
"915175"	411.106086	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M-H+CF3COOH"	112.985586
"1292977"	447.082764	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Cl+CF3COOH"	148.962264
"1374784"	263.107824	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H-2H2O"	-35.012676
"1394466"	281.1178	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H-H2O"	-17.0027
"295244"	597.248276	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+H"	1.007276
"685478"	895.368776	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+H"	1.007276
"1360735"	299.127776	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H"	1.007276
"135811"	299.127776	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+2H"	2.014552
"572089"	448.188026	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+2H"	2.014552
"1043073"	150.067526	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2H"	2.014552
"207693"	199.754276	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+3H"	3.021828
"648347"	299.127776	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+3H"	3.021828
"1169751"	100.380776	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+3H"	3.021828
"430838"	614.274823	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+NH4"	18.033823
"795123"	912.395323	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+NH4"	18.033823
"1689271"	316.154323	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+NH4"	18.033823
"341923"	307.6410495	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+H+NH4"	19.041099
"733254"	456.7012995	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+H+NH4"	19.041099
"1489985"	158.5807995	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H+NH4"	19.041099
"402470"	619.230218	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+Na"	22.989218
"761282"	917.350718	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+Na"	22.989218
"1610471"	321.109718	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Na"	22.989218
"314508"	310.118747	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+H+Na"	23.996494
"709652"	459.178997	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+H+Na"	23.996494
"1461558"	161.058497	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H+Na"	23.996494
"1052803"	107.70809	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2H+Na"	25.00377
"1260581"	331.153986	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+CH3OH+H"	33.033486
"384623"	635.204158	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+K"	38.963158
"744528"	933.324658	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+K"	38.963158
"1547673"	337.083658	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+K"	38.963158
"305940"	318.105717	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+H+K"	39.970434
"696174"	467.165967	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+H+K"	39.970434
"1455461"	169.045467	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H+K"	39.970434
"245160"	638.274826	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+ACN+H"	42.033826
"1217868"	340.154326	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+ACN+H"	42.033826
"1205396"	170.580801	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+ACN+2H"	43.041102
"201182"	641.21216	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+2Na-H"	44.97116
"637461"	939.33266	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+2Na-H"	44.97116
"1138783"	343.09166	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2Na-H"	44.97116
"179889"	321.109718	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+2Na"	45.978436
"615440"	470.169968	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+2Na"	45.978436
"1130491"	172.049468	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2Na"	45.978436
"1409761"	115.035404	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H+2Na"	46.985712
"1441884"	345.133246	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H+HCOOH"	47.012746
"233405"	326.14274	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+3H2O+2H"	56.04448
"1521468"	359.18529	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+IsoProp+H"	61.06479
"419331"	329.096688	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+Na+K"	61.952376
"782513"	478.156938	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+Na+K"	61.952376
"1672653"	180.036438	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Na+K"	61.952376
"260994"	660.256768	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+ACN+Na"	64.015768
"1238078"	362.136268	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+ACN+Na"	64.015768
"1718583"	362.159793	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+NH4+HCOOH"	64.039293
"1185759"	122.362718	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+3Na"	68.967654
"1655651"	367.115188	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Na+HCOOH"	68.994688
"163606"	673.16004	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+2K-H"	76.91904
"602072"	971.28054	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+2K-H"	76.91904
"1089865"	375.03954	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2K-H"	76.91904
"144858"	337.083658	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"2M+2K"	77.926316
"589525"	486.143908	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"3M+2K"	77.926316
"1080594"	188.023408	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2K"	77.926316
"1102870"	377.054092	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2K+H"	78.933592
"1337188"	377.141707	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+DMSO+H"	79.021207
"1007051"	381.180876	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2ACN+H"	83.060376
"1527730"	382.174508	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+IsoProp+Na+H"	84.054008
"995641"	191.094076	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+2ACN+2H"	84.067652
"1593430"	383.089128	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+K+HCOOH"	84.968628
"1425651"	413.120638	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+H+CF3COOH"	115.000138
"1153753"	211.607351	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+3ACN+2H"	125.094202
"1704398"	430.147185	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+NH4+CF3COOH"	132.026685
"1640048"	435.10258	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+Na+CF3COOH"	136.98208
"1571687"	451.07652	"C18165"	"Enterolactone"	"C18H18O4"	"298.1205"	"M+K+CF3COOH"	152.95602
"810438"	302.1518	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M"	0
"988594"	283.13341	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-H2O-H"	-19.01839
"73307"	200.427257333333	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M-3H"	-3.021828
"516148"	301.144524	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M-3H"	-3.021828
"893591"	99.7099906666667	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-3H"	-3.021828
"10338"	301.144524	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M-2H"	-2.014552
"452820"	452.220424	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M-2H"	-2.014552
"831228"	150.068624	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-2H"	-2.014552
"90972"	603.296324	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M-H"	-1.007276
"522151"	905.448124	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M-H"	-1.007276
"897765"	301.144524	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-H"	-1.007276
"49225"	620.322871	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M-2H+NH4"	16.019271
"489515"	922.474671	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M-2H+NH4"	16.019271
"870245"	318.171071	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-2H+NH4"	16.019271
"40330"	625.278266	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M-2H+Na"	20.974666
"477704"	927.430066	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M-2H+Na"	20.974666
"851494"	323.126466	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-2H+Na"	20.974666
"1622849"	323.126466	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Na-2H"	20.974666
"99379"	319.132863	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M-H+Cl"	33.962126
"540035"	470.208763	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M-H+Cl"	33.962126
"932459"	168.056963	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-H+Cl"	33.962126
"275391"	639.273002	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+Cl"	34.969402
"667811"	941.424802	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+Cl"	34.969402
"1279122"	337.121202	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Cl"	34.969402
"26054"	641.252206	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M-2H+K"	36.948606
"467800"	943.404006	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M-2H+K"	36.948606
"846332"	339.100406	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-2H+K"	36.948606
"1568729"	339.100406	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+K-2H"	36.948606
"949320"	347.149994	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-H+HCOOH"	44.998194
"373003"	649.301801	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+HCOOH-H"	44.998201
"354704"	663.317451	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+Hac-H"	59.013851
"1503533"	361.165651	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Hac-H"	59.013851
"967793"	369.131951	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-H+NaCOOH"	66.980151
"119980"	337.121202	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+2Cl"	69.938804
"563550"	488.197102	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+2Cl"	69.938804
"1027250"	186.045302	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2Cl"	69.938804
"1251204"	381.070685	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Br"	78.918885
"1310739"	383.126672	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Cl+HCOOH"	80.974872
"1330058"	405.108629	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Cl+NaCOOH"	102.956829
"921117"	415.137386	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M-H+CF3COOH"	112.985586
"1297826"	451.114064	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Cl+CF3COOH"	148.962264
"1374894"	267.139124	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H-2H2O"	-35.012676
"1393483"	285.1491	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H-H2O"	-17.0027
"295354"	605.310876	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+H"	1.007276
"685588"	907.462676	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+H"	1.007276
"1358658"	303.159076	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H"	1.007276
"133734"	303.159076	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+2H"	2.014552
"573292"	454.234976	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+2H"	2.014552
"1043183"	152.083176	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2H"	2.014552
"207803"	202.441809333333	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+3H"	3.021828
"645904"	303.159076	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+3H"	3.021828
"1166942"	101.724542666667	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+3H"	3.021828
"427666"	622.337423	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+NH4"	18.033823
"796326"	924.489223	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+NH4"	18.033823
"1693390"	320.185623	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+NH4"	18.033823
"342031"	311.6723495	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+H+NH4"	19.041099
"734091"	462.7482495	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+H+NH4"	19.041099
"1487178"	160.5964495	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H+NH4"	19.041099
"401486"	627.292818	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+Na"	22.989218
"763578"	929.444618	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+Na"	22.989218
"1612767"	325.141018	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Na"	22.989218
"314496"	314.150047	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+H+Na"	23.996494
"708669"	465.225947	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+H+Na"	23.996494
"1461590"	163.074147	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H+Na"	23.996494
"1053546"	109.051856666667	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2H+Na"	25.00377
"1262878"	335.185286	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+CH3OH+H"	33.033486
"385826"	643.266758	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+K"	38.963158
"747918"	945.418558	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+K"	38.963158
"1551428"	341.114958	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+K"	38.963158
"307143"	322.137017	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+H+K"	39.970434
"696284"	473.212917	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+H+K"	39.970434
"1455571"	171.061117	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H+K"	39.970434
"245270"	646.337426	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+ACN+H"	42.033826
"1220893"	344.185626	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+ACN+H"	42.033826
"1206599"	172.596451	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+ACN+2H"	43.041102
"201656"	649.27476	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+2Na-H"	44.97116
"638664"	951.42656	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+2Na-H"	44.97116
"1138893"	347.12296	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2Na-H"	44.97116
"181092"	325.141018	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+2Na"	45.978436
"623934"	476.216918	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+2Na"	45.978436
"1129627"	174.065118	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2Na"	45.978436
"1406593"	116.379170666667	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H+2Na"	46.985712
"1439809"	349.164546	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H+HCOOH"	47.012746
"232786"	330.17404	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+3H2O+2H"	56.04448
"1518298"	363.21659	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+IsoProp+H"	61.06479
"418349"	333.127988	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+Na+K"	61.952376
"780438"	484.203888	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+Na+K"	61.952376
"1675674"	182.052088	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Na+K"	61.952376
"261105"	668.319368	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+ACN+Na"	64.015768
"1236002"	366.167568	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+ACN+Na"	64.015768
"1718694"	366.191093	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+NH4+HCOOH"	64.039293
"1184047"	123.706484666667	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+3Na"	68.967654
"1654305"	371.146488	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Na+HCOOH"	68.994688
"162624"	681.22264	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+2K-H"	76.91904
"604370"	983.37444	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+2K-H"	76.91904
"1091069"	379.07084	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2K-H"	76.91904
"148978"	341.114958	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"2M+2K"	77.926316
"592916"	492.190858	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"3M+2K"	77.926316
"1080705"	190.039058	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2K"	77.926316
"1106260"	381.085392	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2K+H"	78.933592
"1337907"	381.173007	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+DMSO+H"	79.021207
"1007525"	385.212176	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2ACN+H"	83.060376
"1528209"	386.205808	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+IsoProp+Na+H"	84.054008
"995751"	193.109726	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+2ACN+2H"	84.067652
"1592449"	387.120428	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+K+HCOOH"	84.968628
"1419200"	417.151938	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+H+CF3COOH"	115.000138
"1157145"	213.623001	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+3ACN+2H"	125.094202
"1711070"	434.178485	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+NH4+CF3COOH"	132.026685
"1639066"	439.13388	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+Na+CF3COOH"	136.98208
"1580184"	455.10782	"C18166"	"Enterodiol"	"C18H22O4"	"302.1518"	"M+K+CF3COOH"	152.95602
"809455"	362.1729	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M"	0
"980800"	343.15451	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"72324"	240.441324	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"514071"	361.165624	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"892244"	119.717024	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"10448"	361.165624	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"452930"	542.252074	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"828907"	180.079174	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"84522"	723.338524	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"529548"	1085.511424	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"905165"	361.165624	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"57351"	740.365071	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"498005"	1102.537971	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"875808"	378.192171	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"39343"	745.320466	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"477814"	1107.493366	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"851240"	383.147566	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1627333"	383.147566	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"101676"	379.153963	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"540145"	560.240413	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"932569"	198.067513	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"275501"	759.315202	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"666828"	1121.488102	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1277045"	397.142302	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"27257"	761.294406	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"466818"	1123.467306	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"839517"	399.121506	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1560455"	399.121506	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"946514"	407.171094	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"367647"	769.344001	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"353719"	783.359651	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1498176"	421.186751	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"962437"	429.153051	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"114624"	397.142302	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"556371"	578.228752	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1025174"	216.055852	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1249128"	441.091785	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1310120"	443.147772	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1330897"	465.129729	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"916488"	475.158486	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1293196"	511.135164	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1372818"	327.160224	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1391405"	345.1702	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"292184"	725.353076	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"685697"	1087.525976	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1355488"	363.180176	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"130563"	363.180176	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"572309"	544.266626	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1040013"	182.093726	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"207913"	242.455876	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"647837"	363.180176	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1164867"	121.731576	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"428872"	742.379623	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"794250"	1104.552523	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1692773"	380.206723	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"342510"	371.6934495	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"735294"	552.7798995	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1490936"	190.6069995	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"402689"	747.335018	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"766603"	1109.507918	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1612878"	385.162118	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"315627"	374.171147	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"708779"	555.257597	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1462595"	193.084697	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1060216"	129.05889	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1265175"	395.206386	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"387030"	763.308958	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"748028"	1125.481858	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1551538"	401.136058	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"307253"	382.158117	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"698580"	563.244567	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1458233"	201.071667	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"245380"	766.379626	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1221367"	404.206726	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1206708"	202.607001	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"203105"	769.31696	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"636588"	1131.48986	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1136814"	407.14406	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"175734"	385.162118	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"625869"	566.248568	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1127551"	204.075668	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1404149"	136.386204	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1440648"	409.185646	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"231074"	390.19514	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1519502"	423.23769	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"416274"	393.149088	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"777999"	574.235538	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1676515"	212.062638	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"261944"	788.361568	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1233926"	426.188668	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1717345"	426.212193	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1183428"	143.713518	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1654413"	431.167588	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"162368"	801.26484	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"601564"	1163.43774	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1091179"	439.09194	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"149088"	401.136058	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"593998"	582.222508	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1078628"	220.049608	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1105276"	441.106492	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1338017"	441.194107	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1006299"	445.233276	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1528319"	446.226908	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"992579"	223.120276	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1594746"	447.141528	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1416758"	477.173038	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1157255"	243.633551	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1701339"	494.199585	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1639176"	499.15498	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1580294"	515.12892	"C18167"	"Secoisolariciresinol;(-)-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"815038"	115.0633	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M"	0
"987477"	96.04491	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-H2O-H"	-19.01839
"75720"	75.7015906666667	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M-3H"	-3.021828
"514190"	114.056024	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M-3H"	-3.021828
"887613"	37.3471573333333	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-3H"	-3.021828
"2910"	114.056024	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M-2H"	-2.014552
"444655"	171.587674	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M-2H"	-2.014552
"823551"	56.524374	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-2H"	-2.014552
"83543"	229.119324	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M-H"	-1.007276
"525287"	344.182624	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M-H"	-1.007276
"900902"	114.056024	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-H"	-1.007276
"51267"	246.145871	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M-2H+NH4"	16.019271
"490831"	361.209171	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M-2H+NH4"	16.019271
"874842"	131.082571	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-2H+NH4"	16.019271
"32656"	251.101266	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M-2H+Na"	20.974666
"472823"	366.164566	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M-2H+Na"	20.974666
"851349"	136.037966	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-2H+Na"	20.974666
"1626356"	136.037966	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Na-2H"	20.974666
"97417"	132.044363	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M-H+Cl"	33.962126
"546820"	189.576013	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M-H+Cl"	33.962126
"938152"	74.512713	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-H+Cl"	33.962126
"271239"	265.096002	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+Cl"	34.969402
"672415"	380.159302	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+Cl"	34.969402
"1285909"	150.032702	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Cl"	34.969402
"29195"	267.075206	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M-2H+K"	36.948606
"461469"	382.138506	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M-2H+K"	36.948606
"840728"	152.011906	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-2H+K"	36.948606
"1562758"	152.011906	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+K-2H"	36.948606
"949913"	160.061494	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-H+HCOOH"	44.998194
"368128"	275.124801	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+HCOOH-H"	44.998201
"353831"	289.140451	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+Hac-H"	59.013851
"1499747"	174.077151	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Hac-H"	59.013851
"968017"	182.043451	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-H+NaCOOH"	66.980151
"114376"	150.032702	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+2Cl"	69.938804
"557582"	207.564352	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+2Cl"	69.938804
"1022126"	92.501052	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2Cl"	69.938804
"1242678"	193.982185	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Br"	78.918885
"1305128"	196.038172	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Cl+HCOOH"	80.974872
"1320476"	218.020129	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Cl+NaCOOH"	102.956829
"915506"	228.048886	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M-H+CF3COOH"	112.985586
"1292581"	264.025564	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Cl+CF3COOH"	148.962264
"1375115"	80.050624	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H-2H2O"	-35.012676
"1383739"	98.0606	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H-H2O"	-17.0027
"285129"	231.133876	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+H"	1.007276
"679616"	346.197176	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+H"	1.007276
"1355965"	116.070576	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H"	1.007276
"131771"	116.070576	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+2H"	2.014552
"572425"	173.602226	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+2H"	2.014552
"1044505"	58.538926	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2H"	2.014552
"211313"	77.7161426666667	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+3H"	3.021828
"651965"	116.070576	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+3H"	3.021828
"1175561"	39.3617093333333	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+3H"	3.021828
"435554"	248.160423	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+NH4"	18.033823
"794362"	363.223723	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+NH4"	18.033823
"1695066"	133.097123	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+NH4"	18.033823
"338971"	124.5838495	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+H+NH4"	19.041099
"734672"	182.1154995	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+H+NH4"	19.041099
"1486305"	67.0521995	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H+NH4"	19.041099
"403894"	253.115818	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+Na"	22.989218
"757239"	368.179118	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+Na"	22.989218
"1607526"	138.052518	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Na"	22.989218
"316099"	127.061547	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+H+Na"	23.996494
"708158"	184.593197	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+H+Na"	23.996494
"1462708"	69.529897	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H+Na"	23.996494
"1055955"	46.6890233333333	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2H+Na"	25.00377
"1259818"	148.096786	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+CH3OH+H"	33.033486
"381678"	269.089758	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+K"	38.963158
"745954"	384.153058	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+K"	38.963158
"1550922"	154.026458	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+K"	38.963158
"312838"	135.048517	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+H+K"	39.970434
"703437"	192.580167	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+H+K"	39.970434
"1457987"	77.516867	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H+K"	39.970434
"248775"	272.160426	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+ACN+H"	42.033826
"1223306"	157.097126	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+ACN+H"	42.033826
"1206460"	79.052201	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+ACN+2H"	43.041102
"197875"	275.09776	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+2Na-H"	44.97116
"638529"	390.16106	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+2Na-H"	44.97116
"1138754"	160.03446	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2Na-H"	44.97116
"178763"	138.052518	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+2Na"	45.978436
"620880"	195.584168	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+2Na"	45.978436
"1120018"	80.520868	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2Na"	45.978436
"1403541"	54.0163373333333	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H+2Na"	46.985712
"1431648"	162.076046	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H+HCOOH"	47.012746
"227174"	143.08554	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+3H2O+2H"	56.04448
"1516330"	176.12809	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+IsoProp+H"	61.06479
"416018"	146.039488	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+Na+K"	61.952376
"780658"	203.571138	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+Na+K"	61.952376
"1667153"	88.507838	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Na+K"	61.952376
"255858"	294.142368	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+ACN+Na"	64.015768
"1229661"	179.079068	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+ACN+Na"	64.015768
"1713566"	179.102593	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+NH4+HCOOH"	64.039293
"1179403"	61.3436513333333	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+3Na"	68.967654
"1652334"	184.057988	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Na+HCOOH"	68.994688
"165028"	307.04564	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+2K-H"	76.91904
"600214"	422.10894	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+2K-H"	76.91904
"1086914"	191.98234	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2K-H"	76.91904
"142635"	154.026458	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"2M+2K"	77.926316
"582927"	211.558108	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"3M+2K"	77.926316
"1069991"	96.494808	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2K"	77.926316
"1102473"	193.996892	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2K+H"	78.933592
"1339591"	194.084507	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+DMSO+H"	79.021207
"1009581"	198.123676	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2ACN+H"	83.060376
"1530624"	199.117308	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+IsoProp+Na+H"	84.054008
"993790"	99.565476	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+2ACN+2H"	84.067652
"1590481"	200.031928	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+K+HCOOH"	84.968628
"1416867"	230.063438	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+H+CF3COOH"	115.000138
"1148613"	120.078751	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+3ACN+2H"	125.094202
"1699262"	247.089985	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+NH4+CF3COOH"	132.026685
"1636369"	252.04538	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+Na+CF3COOH"	136.98208
"1580406"	268.01932	"C18170"	"3-Acetamidopropanal"	"C5H9NO2"	"115.0633"	"M+K+CF3COOH"	152.95602
"810770"	350.2093	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M"	0
"989709"	331.19091	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"76921"	232.465590666667	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"517578"	349.202024	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"892097"	115.729157333333	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"12857"	349.202024	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"450231"	524.306674	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"823661"	174.097374	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"81467"	699.411324	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"522118"	1049.620624	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"898461"	349.202024	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"49190"	716.437871	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"490213"	1066.647171	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"876045"	366.228571	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"37384"	721.393266	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"478037"	1071.602566	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"851463"	371.183966	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1626466"	371.183966	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"99714"	367.190363	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"546930"	542.295013	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"940449"	192.085713	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"271349"	735.388002	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"672890"	1085.597302	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1286019"	385.178702	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"29305"	737.367206	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"464859"	1087.576506	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"840474"	387.157906	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1562868"	387.157906	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"952938"	395.207494	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"374431"	745.416801	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"357221"	759.432451	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1501679"	409.223151	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"964844"	417.189451	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"115944"	385.178702	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"558785"	560.283352	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1023208"	210.074052	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1244245"	429.128185	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1309976"	431.184172	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1321274"	453.166129	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"914522"	463.194886	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1288632"	499.171564	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1370851"	315.196624	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1383969"	333.2066	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"283412"	701.425876	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"676807"	1051.635176	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1353522"	351.216576	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"127871"	351.216576	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"569253"	526.321226	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1043521"	176.111926	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"207048"	234.480142666667	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"647700"	351.216576	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1172390"	117.743709333333	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"429103"	718.452423	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"790097"	1068.661723	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1692989"	368.243123	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"337988"	359.7298495	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"732595"	534.8344995	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1484228"	184.6251995	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"398536"	723.407818	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"754918"	1073.617118	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1607636"	373.198518	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"315475"	362.207547	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"708148"	537.312197	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1464273"	187.102897	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1053632"	125.071023333333	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1259928"	383.242786	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"380695"	739.381758	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"744971"	1089.591058	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1548116"	389.172458	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"310397"	370.194517	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"702087"	545.299167	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1456638"	195.089867	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"247790"	742.452426	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1221590"	392.243126	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1207661"	196.625201	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"196162"	745.38976	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"635723"	1095.59906	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1136677"	395.18046	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"175957"	373.198518	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"620990"	548.303168	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1120128"	198.093868	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1401464"	132.398337333333	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1435767"	397.222046	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"230928"	378.23154	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1518991"	411.27409	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"416491"	381.185488	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"782227"	556.290138	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1667261"	206.080838	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"254875"	764.434368	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1230864"	414.225068	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1712868"	414.248593	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1179635"	139.725651333333	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1650662"	419.203988	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"158214"	777.33764	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"598867"	1127.54694	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1084713"	427.12834	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"141890"	389.172458	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"581940"	564.277108	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1070101"	214.067808	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1102947"	429.142892	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1339336"	429.230507	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1008961"	433.269676	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1528547"	434.263308	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"994994"	217.138476	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1589132"	435.177928	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1416977"	465.209438	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1148359"	237.651751	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1701559"	482.235985	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1636115"	487.19138	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1580516"	503.16532	"C18171"	"Resolvin E1;5S12R18R-Trihydroxy-6Z8E10E14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"807600"	189.1477	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M"	0
"989397"	170.12931	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-H2O-H"	-19.01839
"74845"	125.091190666667	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M-3H"	-3.021828
"515501"	188.140424	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M-3H"	-3.021828
"892207"	62.0419573333333	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-3H"	-3.021828
"11874"	188.140424	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M-2H"	-2.014552
"450341"	282.714274	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M-2H"	-2.014552
"822677"	93.566574	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-2H"	-2.014552
"80484"	377.288124	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M-H"	-1.007276
"520406"	566.435824	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M-H"	-1.007276
"898208"	188.140424	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-H"	-1.007276
"48571"	394.314671	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M-2H+NH4"	16.019271
"489594"	583.462371	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M-2H+NH4"	16.019271
"876155"	205.166971	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-2H+NH4"	16.019271
"40774"	399.270066	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M-2H+Na"	20.974666
"478147"	588.417766	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M-2H+Na"	20.974666
"852300"	210.122366	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-2H+Na"	20.974666
"1626576"	210.122366	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Na-2H"	20.974666
"99824"	206.128763	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M-H+Cl"	33.962126
"547040"	300.702613	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M-H+Cl"	33.962126
"940195"	111.554913	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-H+Cl"	33.962126
"271459"	413.264802	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+Cl"	34.969402
"673363"	602.412502	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+Cl"	34.969402
"1286129"	224.117102	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Cl"	34.969402
"29414"	415.244006	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M-2H+K"	36.948606
"463875"	604.391706	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M-2H+K"	36.948606
"842770"	226.096306	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-2H+K"	36.948606
"1568443"	226.096306	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+K-2H"	36.948606
"954142"	234.145894	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-H+HCOOH"	44.998194
"374177"	423.293601	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+HCOOH-H"	44.998201
"358424"	437.309251	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+Hac-H"	59.013851
"1501789"	248.161551	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Hac-H"	59.013851
"964954"	256.127851	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-H+NaCOOH"	66.980151
"115688"	224.117102	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+2Cl"	69.938804
"557437"	318.690952	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+2Cl"	69.938804
"1026599"	129.543252	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2Cl"	69.938804
"1245084"	268.066585	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Br"	78.918885
"1310086"	270.122572	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Cl+HCOOH"	80.974872
"1324302"	292.104529	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Cl+NaCOOH"	102.956829
"913902"	302.133286	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M-H+CF3COOH"	112.985586
"1288659"	338.109964	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Cl+CF3COOH"	148.962264
"1368774"	154.135024	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H-2H2O"	-35.012676
"1384447"	172.145	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H-H2O"	-17.0027
"283764"	379.302676	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+H"	1.007276
"677646"	568.450376	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+H"	1.007276
"1354362"	190.154976	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H"	1.007276
"130168"	190.154976	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+2H"	2.014552
"570823"	284.728826	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+2H"	2.014552
"1042537"	95.581126	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2H"	2.014552
"206429"	127.105742666667	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+3H"	3.021828
"647080"	190.154976	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+3H"	3.021828
"1172500"	64.0565093333333	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+3H"	3.021828
"432494"	396.329223	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+NH4"	18.033823
"791302"	585.476923	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+NH4"	18.033823
"1693100"	207.181523	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+NH4"	18.033823
"337004"	198.6682495	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+H+NH4"	19.041099
"732705"	293.2420995	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+H+NH4"	19.041099
"1483245"	104.0943995	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H+NH4"	19.041099
"400834"	401.284618	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+Na"	22.989218
"754243"	590.432318	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+Na"	22.989218
"1607746"	212.136918	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Na"	22.989218
"314573"	201.145947	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+H+Na"	23.996494
"712391"	295.719797	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+H+Na"	23.996494
"1462561"	106.572097	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H+Na"	23.996494
"1058363"	71.3838233333333	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2H+Na"	25.00377
"1258703"	222.181186	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+CH3OH+H"	33.033486
"379712"	417.258558	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+K"	38.963158
"743988"	606.406258	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+K"	38.963158
"1549320"	228.110858	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+K"	38.963158
"307589"	209.132917	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+H+K"	39.970434
"701104"	303.706767	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+H+K"	39.970434
"1456019"	114.559067	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H+K"	39.970434
"248266"	420.329226	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+ACN+H"	42.033826
"1219515"	231.181526	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+ACN+H"	42.033826
"1207771"	116.094401	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+ACN+2H"	43.041102
"195178"	423.26656	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+2Na-H"	44.97116
"635833"	612.41426	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+2Na-H"	44.97116
"1133505"	234.11886	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2Na-H"	44.97116
"177161"	212.136918	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+2Na"	45.978436
"622194"	306.710768	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+2Na"	45.978436
"1123516"	117.563068	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2Na"	45.978436
"1399021"	78.7111373333333	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H+2Na"	46.985712
"1438064"	236.160446	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H+HCOOH"	47.012746
"224476"	217.16994	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+3H2O+2H"	56.04448
"1515091"	250.21249	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+IsoProp+H"	61.06479
"418788"	220.123888	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+Na+K"	61.952376
"777595"	314.697738	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+Na+K"	61.952376
"1672836"	125.550038	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Na+K"	61.952376
"255351"	442.311168	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+ACN+Na"	64.015768
"1228059"	253.163468	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+ACN+Na"	64.015768
"1719132"	253.186993	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+NH4+HCOOH"	64.039293
"1179258"	86.0384513333333	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+3Na"	68.967654
"1651462"	258.142388	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Na+HCOOH"	68.994688
"159053"	455.21444	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+2K-H"	76.91904
"598248"	644.36214	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+2K-H"	76.91904
"1086770"	266.06674	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2K-H"	76.91904
"143588"	228.110858	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"2M+2K"	77.926316
"581686"	322.684708	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"3M+2K"	77.926316
"1070943"	133.537008	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2K"	77.926316
"1101967"	268.081292	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2K+H"	78.933592
"1340905"	268.168907	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+DMSO+H"	79.021207
"1008345"	272.208076	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2ACN+H"	83.060376
"1529752"	273.201708	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+IsoProp+Na+H"	84.054008
"994012"	136.607676	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+2ACN+2H"	84.067652
"1592890"	274.116328	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+K+HCOOH"	84.968628
"1415997"	304.147838	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+H+CF3COOH"	115.000138
"1150292"	157.120951	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+3ACN+2H"	125.094202
"1701669"	321.174385	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+NH4+CF3COOH"	132.026685
"1636225"	326.12978	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+Na+CF3COOH"	136.98208
"1580626"	342.10372	"C18172"	"Carboxyspermidine;2-Amino-4-(4-aminobutyl)amino-butanoic acid"	"C8H19N3O2"	"189.1477"	"M+K+CF3COOH"	152.95602
"810990"	334.2144	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M"	0
"987081"	315.19601	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-H2O-H"	-19.01839
"74958"	221.802324	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M-3H"	-3.021828
"515610"	333.207124	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M-3H"	-3.021828
"892320"	110.397524	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-3H"	-3.021828
"11985"	333.207124	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M-2H"	-2.014552
"452639"	500.314324	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M-2H"	-2.014552
"827161"	166.099924	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-2H"	-2.014552
"84966"	667.421524	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M-H"	-1.007276
"521246"	1001.635924	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M-H"	-1.007276
"900504"	333.207124	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-H"	-1.007276
"50506"	684.448071	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+NH4"	16.019271
"489330"	1018.662471	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+NH4"	16.019271
"879176"	350.233671	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-2H+NH4"	16.019271
"37604"	689.403466	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+Na"	20.974666
"474977"	1023.617866	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+Na"	20.974666
"850954"	355.189066	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-2H+Na"	20.974666
"1629966"	355.189066	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Na-2H"	20.974666
"99934"	351.195463	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M-H+Cl"	33.962126
"547150"	518.302663	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M-H+Cl"	33.962126
"939573"	184.088263	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-H+Cl"	33.962126
"271569"	703.398202	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+Cl"	34.969402
"672742"	1037.612602	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+Cl"	34.969402
"1285874"	369.183802	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Cl"	34.969402
"28431"	705.377406	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M-2H+K"	36.948606
"462891"	1039.591806	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M-2H+K"	36.948606
"841787"	371.163006	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-2H+K"	36.948606
"1565274"	371.163006	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+K-2H"	36.948606
"955345"	379.212594	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-H+HCOOH"	44.998194
"375139"	713.427001	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+HCOOH-H"	44.998201
"358534"	727.442651	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+Hac-H"	59.013851
"1499712"	393.228251	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Hac-H"	59.013851
"967252"	401.194551	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-H+NaCOOH"	66.980151
"115434"	369.183802	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+2Cl"	69.938804
"557182"	536.291002	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+2Cl"	69.938804
"1026709"	202.076602	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2Cl"	69.938804
"1245924"	413.133285	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Br"	78.918885
"1312019"	415.189272	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+HCOOH"	80.974872
"1324412"	437.171229	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+NaCOOH"	102.956829
"913648"	447.199986	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M-H+CF3COOH"	112.985586
"1289625"	483.176664	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Cl+CF3COOH"	148.962264
"1370343"	299.201724	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H-2H2O"	-35.012676
"1385288"	317.2117	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H-H2O"	-17.0027
"284969"	669.436076	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+H"	1.007276
"679581"	1003.650476	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+H"	1.007276
"1355931"	335.221676	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H"	1.007276
"134654"	335.221676	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+2H"	2.014552
"571662"	502.328876	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+2H"	2.014552
"1041554"	168.114476	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2H"	2.014552
"208361"	223.816876	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+3H"	3.021828
"647190"	335.221676	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+3H"	3.021828
"1171517"	112.412076	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+3H"	3.021828
"428231"	686.462623	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+NH4"	18.033823
"787767"	1020.677023	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+NH4"	18.033823
"1688837"	352.248223	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+NH4"	18.033823
"334929"	343.7349495	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+H+NH4"	19.041099
"728442"	510.8421495	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+H+NH4"	19.041099
"1480074"	176.6277495	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H+NH4"	19.041099
"396933"	691.418018	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+Na"	22.989218
"754514"	1025.632418	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+Na"	22.989218
"1603232"	357.203618	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Na"	22.989218
"314431"	346.212647	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+H+Na"	23.996494
"707518"	513.319847	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+H+Na"	23.996494
"1461738"	179.105447	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H+Na"	23.996494
"1053611"	119.73939	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2H+Na"	25.00377
"1257231"	367.247886	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+CH3OH+H"	33.033486
"378728"	707.391958	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+K"	38.963158
"745191"	1041.606358	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+K"	38.963158
"1547242"	373.177558	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+K"	38.963158
"308428"	354.199617	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+H+K"	39.970434
"697934"	521.306817	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+H+K"	39.970434
"1455765"	187.092417	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H+K"	39.970434
"246189"	710.462626	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+ACN+H"	42.033826
"1221083"	376.248226	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+H"	42.033826
"1205692"	188.627751	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+2H"	43.041102
"195284"	713.39996	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+2Na-H"	44.97116
"632660"	1047.61436	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+2Na-H"	44.97116
"1134344"	379.18556	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2Na-H"	44.97116
"180550"	357.203618	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+2Na"	45.978436
"617929"	524.310818	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+2Na"	45.978436
"1121435"	190.096418	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2Na"	45.978436
"1404959"	127.066704	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H+2Na"	46.985712
"1435988"	381.227146	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H+HCOOH"	47.012746
"230784"	362.23664	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+3H2O+2H"	56.04448
"1517025"	395.27919	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+H"	61.06479
"416711"	365.190588	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+Na+K"	61.952376
"779893"	532.297788	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+Na+K"	61.952376
"1674042"	198.083388	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Na+K"	61.952376
"257284"	732.444568	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+ACN+Na"	64.015768
"1228169"	398.230168	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+ACN+Na"	64.015768
"1718879"	398.253693	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+NH4+HCOOH"	64.039293
"1180952"	134.394018	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+3Na"	68.967654
"1650966"	403.209088	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Na+HCOOH"	68.994688
"158799"	745.34784	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+2K-H"	76.91904
"600910"	1079.56224	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+2K-H"	76.91904
"1088338"	411.13344	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2K-H"	76.91904
"143333"	373.177558	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"2M+2K"	77.926316
"582891"	540.284758	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"3M+2K"	77.926316
"1069960"	206.070358	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2K"	77.926316
"1102077"	413.147992	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2K+H"	78.933592
"1338829"	413.235607	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+DMSO+H"	79.021207
"1008454"	417.274776	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2ACN+H"	83.060376
"1529862"	418.268408	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+IsoProp+Na+H"	84.054008
"994122"	209.141026	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+2ACN+2H"	84.067652
"1593000"	419.183028	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+K+HCOOH"	84.968628
"1415742"	449.214538	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+H+CF3COOH"	115.000138
"1149309"	229.654301	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+3ACN+2H"	125.094202
"1701779"	466.241085	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+NH4+CF3COOH"	132.026685
"1635239"	471.19648	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+Na+CF3COOH"	136.98208
"1580736"	487.17042	"C18173"	"Resolvin E2;5S18R-Dihydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O4"	"334.2144"	"M+K+CF3COOH"	152.95602
"814381"	175.1321	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M"	0
"989011"	156.11371	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-H2O-H"	-19.01839
"76160"	115.747457333333	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M-3H"	-3.021828
"516450"	174.124824	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M-3H"	-3.021828
"891338"	57.3700906666667	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-3H"	-3.021828
"12097"	174.124824	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M-2H"	-2.014552
"452749"	261.690874	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M-2H"	-2.014552
"822898"	86.558774	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-2H"	-2.014552
"86169"	349.256924	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M-H"	-1.007276
"523545"	524.389024	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M-H"	-1.007276
"900250"	174.124824	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-H"	-1.007276
"49887"	366.283471	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M-2H+NH4"	16.019271
"488346"	541.415571	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M-2H+NH4"	16.019271
"877829"	191.151371	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-2H+NH4"	16.019271
"37714"	371.238866	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M-2H+Na"	20.974666
"476180"	546.370966	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M-2H+Na"	20.974666
"850700"	196.106766	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-2H+Na"	20.974666
"1630076"	196.106766	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Na-2H"	20.974666
"100044"	192.113163	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M-H+Cl"	33.962126
"546167"	279.679213	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M-H+Cl"	33.962126
"939684"	104.547113	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-H+Cl"	33.962126
"271679"	385.233602	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+Cl"	34.969402
"671397"	560.365702	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+Cl"	34.969402
"1284163"	210.101502	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Cl"	34.969402
"26719"	387.212806	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M-2H+K"	36.948606
"463002"	562.344906	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M-2H+K"	36.948606
"842263"	212.080706	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-2H+K"	36.948606
"1566477"	212.080706	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+K-2H"	36.948606
"955821"	220.130294	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-H+HCOOH"	44.998194
"374397"	395.262401	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+HCOOH-H"	44.998201
"356458"	409.278051	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+Hac-H"	59.013851
"1499822"	234.145951	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Hac-H"	59.013851
"966269"	242.112251	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-H+NaCOOH"	66.980151
"117367"	210.101502	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+2Cl"	69.938804
"558023"	297.667552	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+2Cl"	69.938804
"1022812"	122.535452	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2Cl"	69.938804
"1243120"	254.050985	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Br"	78.918885
"1306298"	256.106972	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Cl+HCOOH"	80.974872
"1320514"	278.088929	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Cl+NaCOOH"	102.956829
"913760"	288.117686	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M-H+CF3COOH"	112.985586
"1288611"	324.094364	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Cl+CF3COOH"	148.962264
"1368265"	140.119424	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H-2H2O"	-35.012676
"1385398"	158.1294	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H-H2O"	-17.0027
"287270"	351.271476	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+H"	1.007276
"679692"	526.403576	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+H"	1.007276
"1354948"	176.139376	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H"	1.007276
"135492"	176.139376	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+2H"	2.014552
"573958"	263.705426	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+2H"	2.014552
"1044943"	88.573326	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2H"	2.014552
"208471"	117.762009333333	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+3H"	3.021828
"649123"	176.139376	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+3H"	3.021828
"1171627"	59.3846426666667	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+3H"	3.021828
"430529"	368.298023	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+NH4"	18.033823
"788242"	543.430123	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+NH4"	18.033823
"1691133"	193.165923	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+NH4"	18.033823
"336132"	184.6526495	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+H+NH4"	19.041099
"728552"	272.2186995	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+H+NH4"	19.041099
"1483464"	97.0865995	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H+NH4"	19.041099
"399958"	373.253418	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+Na"	22.989218
"754552"	548.385518	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+Na"	22.989218
"1603951"	198.121318	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Na"	22.989218
"314824"	187.130347	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+H+Na"	23.996494
"708964"	274.696397	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+H+Na"	23.996494
"1462414"	99.564297	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H+Na"	23.996494
"1054086"	66.7119566666667	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2H+Na"	25.00377
"1257132"	208.165586	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+CH3OH+H"	33.033486
"382119"	389.227358	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+K"	38.963158
"740927"	564.359458	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+K"	38.963158
"1545166"	214.095258	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+K"	38.963158
"308539"	195.117317	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+H+K"	39.970434
"700231"	282.683367	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+H+K"	39.970434
"1454052"	107.551267	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H+K"	39.970434
"245934"	392.298026	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+ACN+H"	42.033826
"1219734"	217.165926	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+ACN+H"	42.033826
"1204709"	109.086601	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+ACN+2H"	43.041102
"194301"	395.23536	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+2Na-H"	44.97116
"630947"	570.36746	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+2Na-H"	44.97116
"1132627"	220.10326	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2Na-H"	44.97116
"180660"	198.121318	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+2Na"	45.978436
"614026"	285.687368	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+2Na"	45.978436
"1122638"	110.555268	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2Na"	45.978436
"1405069"	74.0392706666667	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H+2Na"	46.985712
"1439743"	222.144846	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H+HCOOH"	47.012746
"229072"	203.15434	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+3H2O+2H"	56.04448
"1516041"	236.19689	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+IsoProp+H"	61.06479
"415726"	206.108288	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+Na+K"	61.952376
"781096"	293.674338	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+Na+K"	61.952376
"1671964"	118.542238	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Na+K"	61.952376
"253383"	414.279968	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+ACN+Na"	64.015768
"1229738"	239.147868	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+ACN+Na"	64.015768
"1714615"	239.171393	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+NH4+HCOOH"	64.039293
"1181061"	81.3665846666667	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+3Na"	68.967654
"1650344"	244.126788	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Na+HCOOH"	68.994688
"157528"	427.18324	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+2K-H"	76.91904
"599199"	602.31534	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+2K-H"	76.91904
"1087356"	252.05114	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2K-H"	76.91904
"142349"	214.095258	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"2M+2K"	77.926316
"582033"	301.661308	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"3M+2K"	77.926316
"1069341"	126.529208	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2K"	77.926316
"1102920"	254.065692	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2K+H"	78.933592
"1340032"	254.153307	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+DMSO+H"	79.021207
"1010752"	258.192476	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2ACN+H"	83.060376
"1529972"	259.186108	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+IsoProp+Na+H"	84.054008
"992045"	129.599876	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+2ACN+2H"	84.067652
"1587764"	260.100728	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+K+HCOOH"	84.968628
"1414760"	290.132238	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+H+CF3COOH"	115.000138
"1151241"	150.113151	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+3ACN+2H"	125.094202
"1697877"	307.158785	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+NH4+CF3COOH"	132.026685
"1636442"	312.11418	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+Na+CF3COOH"	136.98208
"1580846"	328.08812	"C18174"	"Carboxynorspermidine"	"C7H17N3O2"	"175.1321"	"M+K+CF3COOH"	152.95602
"814490"	332.1988	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M"	0
"989890"	313.18041	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-H2O-H"	-19.01839
"78012"	220.458590666667	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M-3H"	-3.021828
"517652"	331.191524	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M-3H"	-3.021828
"894728"	109.725657333333	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-3H"	-3.021828
"15711"	331.191524	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M-2H"	-2.014552
"450672"	497.290924	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M-2H"	-2.014552
"828474"	165.092124	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-2H"	-2.014552
"84092"	663.390324	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M-H"	-1.007276
"522559"	995.589124	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M-H"	-1.007276
"902546"	331.191524	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-H"	-1.007276
"50724"	680.416871	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M-2H+NH4"	16.019271
"489553"	1012.615671	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M-2H+NH4"	16.019271
"874291"	348.218071	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-2H+NH4"	16.019271
"41104"	685.372266	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M-2H+Na"	20.974666
"481757"	1017.571066	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M-2H+Na"	20.974666
"854090"	353.173466	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-2H+Na"	20.974666
"1626906"	353.173466	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Na-2H"	20.974666
"100154"	349.179863	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M-H+Cl"	33.962126
"548829"	515.279263	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M-H+Cl"	33.962126
"940886"	183.080463	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-H+Cl"	33.962126
"275069"	699.367002	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+Cl"	34.969402
"669685"	1031.565802	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+Cl"	34.969402
"1285731"	367.168202	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Cl"	34.969402
"27196"	701.346206	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M-2H+K"	36.948606
"459832"	1033.545006	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M-2H+K"	36.948606
"842737"	369.147406	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-2H+K"	36.948606
"1566224"	369.147406	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+K-2H"	36.948606
"955930"	377.196994	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-H+HCOOH"	44.998194
"375845"	709.395801	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+HCOOH-H"	44.998201
"355473"	723.411451	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+Hac-H"	59.013851
"1498838"	391.212651	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Hac-H"	59.013851
"964192"	399.178951	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-H+NaCOOH"	66.980151
"117478"	367.168202	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+2Cl"	69.938804
"558133"	533.267602	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+2Cl"	69.938804
"1026931"	201.068802	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2Cl"	69.938804
"1248700"	411.117685	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Br"	78.918885
"1308961"	413.173672	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Cl+HCOOH"	80.974872
"1324634"	435.155629	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Cl+NaCOOH"	102.956829
"914597"	445.184386	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M-H+CF3COOH"	112.985586
"1291304"	481.161064	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Cl+CF3COOH"	148.962264
"1368739"	297.186124	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H-2H2O"	-35.012676
"1385143"	315.1961	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H-H2O"	-17.0027
"290661"	665.404876	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+H"	1.007276
"684176"	997.603676	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+H"	1.007276
"1358338"	333.206076	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H"	1.007276
"134511"	333.206076	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+2H"	2.014552
"572975"	499.305476	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+2H"	2.014552
"1043960"	167.106676	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2H"	2.014552
"210767"	222.473142666667	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+3H"	3.021828
"655793"	333.206076	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+3H"	3.021828
"1169547"	111.740209333333	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+3H"	3.021828
"432828"	682.431423	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+NH4"	18.033823
"794913"	1014.630223	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+NH4"	18.033823
"1693432"	350.232623	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+NH4"	18.033823
"338430"	341.7193495	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+H+NH4"	19.041099
"733037"	507.8187495	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+H+NH4"	19.041099
"1484670"	175.6199495	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H+NH4"	19.041099
"400069"	687.386818	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+Na"	22.989218
"754865"	1019.585618	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+Na"	22.989218
"1603212"	355.188018	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Na"	22.989218
"314699"	344.197047	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+H+Na"	23.996494
"708345"	510.296447	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+H+Na"	23.996494
"1463260"	178.097647	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H+Na"	23.996494
"1055413"	119.067523333333	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2H+Na"	25.00377
"1258912"	365.232286	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+CH3OH+H"	33.033486
"384416"	703.360758	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+K"	38.963158
"744317"	1035.559558	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+K"	38.963158
"1548556"	371.161958	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+K"	38.963158
"310836"	352.184017	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+H+K"	39.970434
"701434"	518.283417	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+H+K"	39.970434
"1457442"	186.084617	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H+K"	39.970434
"249324"	706.431426	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+ACN+H"	42.033826
"1220939"	374.232626	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+ACN+H"	42.033826
"1203726"	187.619951	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+ACN+2H"	43.041102
"194411"	709.36876	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+2Na-H"	44.97116
"631787"	1041.56756	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+2Na-H"	44.97116
"1134564"	377.16996	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2Na-H"	44.97116
"180770"	355.188018	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+2Na"	45.978436
"614258"	521.287418	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+2Na"	45.978436
"1116671"	189.088618	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2Na"	45.978436
"1404085"	126.394837333333	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H+2Na"	46.985712
"1435114"	379.211546	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H+HCOOH"	47.012746
"226995"	360.22104	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+3H2O+2H"	56.04448
"1518338"	393.26359	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+IsoProp+H"	61.06479
"416930"	363.174988	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+Na+K"	61.952376
"776830"	529.274388	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+Na+K"	61.952376
"1676446"	197.075588	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Na+K"	61.952376
"262970"	728.413368	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+ACN+Na"	64.015768
"1234588"	396.214568	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+ACN+Na"	64.015768
"1725661"	396.238093	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+NH4+HCOOH"	64.039293
"1188827"	133.722151333333	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+3Na"	68.967654
"1656534"	401.193488	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Na+HCOOH"	68.994688
"165581"	741.31664	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+2K-H"	76.91904
"602955"	1073.51544	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+2K-H"	76.91904
"1091840"	409.11784	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2K-H"	76.91904
"144646"	371.161958	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"2M+2K"	77.926316
"582751"	537.261358	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"3M+2K"	77.926316
"1070179"	205.062558	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2K"	77.926316
"1103756"	411.132392	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2K+H"	78.933592
"1341235"	411.220007	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+DMSO+H"	79.021207
"1013049"	415.259176	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2ACN+H"	83.060376
"1526802"	416.252808	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+IsoProp+Na+H"	84.054008
"993249"	208.133226	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+2ACN+2H"	84.067652
"1589940"	417.167428	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+K+HCOOH"	84.968628
"1415599"	447.198938	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+H+CF3COOH"	115.000138
"1152444"	228.646501	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+3ACN+2H"	125.094202
"1700903"	464.225485	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+NH4+CF3COOH"	132.026685
"1635460"	469.18088	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+Na+CF3COOH"	136.98208
"1580956"	485.15482	"C18175"	"56-Epoxy-18R-HEPE;56-Epoxy18R-hydroxy-7E9E11Z14Z16E-eicosapentaenoic acid"	"C20H28O4"	"332.1988"	"M+K+CF3COOH"	152.95602
"811320"	350.2093	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M"	0
"988502"	331.19091	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"76016"	232.465590666667	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"515576"	349.202024	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"893743"	115.729157333333	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"13411"	349.202024	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"452969"	524.306674	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"825304"	174.097374	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"81286"	699.411324	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"523033"	1049.620624	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"900469"	349.202024	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"50835"	716.437871	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"489664"	1066.647171	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"871121"	366.228571	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"44496"	721.393266	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"481867"	1071.602566	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"855293"	371.183966	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1627016"	371.183966	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"103544"	367.190363	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"549182"	542.295013	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"939904"	192.085713	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"278459"	735.388002	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"669795"	1085.597302	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1282563"	385.178702	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"26214"	737.367206	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"466502"	1087.576506	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"841024"	387.157906	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1565605"	387.157906	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"956041"	395.207494	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"374256"	745.416801	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"358864"	759.432451	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1501137"	409.223151	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"970865"	417.189451	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"120868"	385.178702	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"560429"	560.283352	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1027407"	210.074052	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1249904"	429.128185	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1309435"	431.184172	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1325838"	453.166129	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"913979"	463.194886	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1291053"	499.171564	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1371038"	315.196624	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1386348"	333.2066	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"287493"	701.425876	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"679549"	1051.635176	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1356628"	351.216576	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"135714"	351.216576	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"571992"	526.321226	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1042977"	176.111926	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"211972"	234.480142666667	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"655904"	351.216576	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1171845"	117.743709333333	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"435125"	718.452423	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"793931"	1068.661723	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1693543"	368.243123	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"340727"	359.7298495	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"735334"	534.8344995	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1488060"	184.6251995	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"402366"	723.407818	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"754372"	1073.617118	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1603441"	373.198518	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"315299"	362.207547	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"708579"	537.312197	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1463371"	187.102897	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1059897"	125.071023333333	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1260480"	383.242786	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"384526"	739.381758	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"744427"	1089.591058	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1549760"	389.172458	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"309124"	370.194517	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"700453"	545.299167	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1457552"	195.089867	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"249434"	742.452426	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1222142"	392.243126	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1204930"	196.625201	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"195615"	745.38976	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"631897"	1095.59906	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1137590"	395.18046	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"180880"	373.198518	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"615339"	548.303168	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1117629"	198.093868	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1402009"	132.398337333333	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1438503"	397.222046	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"226012"	378.23154	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1516262"	411.27409	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"414854"	381.185488	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"775847"	556.290138	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1674369"	206.080838	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"260893"	764.434368	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1230321"	414.225068	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1722491"	414.248593	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1180191"	139.725651333333	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1653363"	419.203988	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"160225"	777.33764	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"598082"	1127.54694	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1087577"	427.12834	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"143660"	389.172458	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"583949"	564.277108	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1071383"	214.067808	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1102404"	429.142892	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1338056"	429.230507	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1008043"	433.269676	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1527273"	434.263308	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"992266"	217.138476	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1590050"	435.177928	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1416802"	465.209438	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1152554"	237.651751	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1699919"	482.235985	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1636663"	487.19138	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1581066"	503.16532	"C18176"	"5S-Hydroperoxy-18R-HEPE;5S-Hydroperoxy-18R-hydroxy-6E8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"811430"	318.2195	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M"	0
"988248"	299.20111	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"74304"	211.139057333333	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"516050"	317.212224	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"892760"	105.065890666667	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"13521"	317.212224	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"453079"	476.321974	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"825414"	158.102474	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"84312"	635.431724	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"521685"	953.651224	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"897661"	317.212224	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"51674"	652.458271	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"490506"	970.677771	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"871231"	334.238771	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"42419"	657.413666	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"480884"	975.633166	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"853216"	339.194166	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1626033"	339.194166	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"102561"	335.200563	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"547591"	494.310313	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"940379"	176.090813	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"279663"	671.408402	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"668811"	989.627902	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1281213"	353.188902	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"23772"	673.387606	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"463331"	991.607106	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"840041"	355.168106	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1562434"	355.168106	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"953598"	363.217694	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"373637"	681.437201	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"355694"	695.452851	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1501247"	377.233351	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"967695"	385.199651	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"117698"	353.188902	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"559446"	512.298652	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1026058"	194.079152	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1250014"	397.138385	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1310274"	399.194372	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1324854"	421.176329	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"915913"	431.205086	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1291163"	467.181764	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1372971"	283.206824	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1388645"	301.2168	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"289424"	637.446276	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"681118"	955.665776	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1358925"	319.226776	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"133638"	319.226776	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"568093"	478.336526	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1041994"	160.117026	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"207709"	213.153609333333	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"653828"	319.226776	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1167583"	107.080442666667	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"436328"	654.472823	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"794043"	972.692323	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1692560"	336.253323	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"339744"	327.7400495	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"733260"	486.8497995	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1487078"	168.6302995	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"402479"	659.428218	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"755576"	977.647718	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1602980"	341.208718	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"316144"	330.217747	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"711848"	489.327497	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1463845"	171.107997	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1060007"	114.407756666667	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1258769"	351.252986	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"383543"	675.402158	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"745631"	993.621658	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1550963"	357.182658	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"309235"	338.204717	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"700563"	497.314467	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1457662"	179.094967	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"248450"	678.472826	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1223345"	360.253326	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1203949"	180.630301	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"195725"	681.41016	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"634193"	999.62966	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1138793"	363.19066	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"176976"	341.208718	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"614720"	500.318468	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1118592"	182.098968	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1403212"	121.735070666667	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1433141"	365.232246	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"225029"	346.24174	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1511998"	379.28429	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"410953"	349.195688	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"774864"	508.305438	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1672292"	190.085938	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"258816"	700.454768	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1231524"	382.235268	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1724787"	382.258793	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1183582"	129.062384666667	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1651649"	387.214188	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"162521"	713.35804	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"598678"	1031.57754	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1090967"	395.13854	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"143042"	357.182658	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"585520"	516.292408	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1074045"	198.072908	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1103605"	397.153092	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1338170"	397.240707	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1007789"	401.279876	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1528112"	402.273508	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"993469"	201.143576	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1587607"	403.188128	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1418007"	433.219638	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1151573"	221.656851	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1702219"	450.246185	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1634829"	455.20158	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1581176"	471.17552	"C18177"	"18R-HEPE;18R-Hydroxy-5Z8Z11Z14Z16E-eicosapentaenoic acid"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"811540"	376.225	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M"	0
"987263"	357.20661	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-H2O-H"	-19.01839
"76237"	249.809390666667	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M-3H"	-3.021828
"516161"	375.217724	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M-3H"	-3.021828
"892506"	124.401057333333	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-3H"	-3.021828
"13633"	375.217724	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M-2H"	-2.014552
"452096"	563.330224	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M-2H"	-2.014552
"824431"	187.105224	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-2H"	-2.014552
"84422"	751.442724	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M-H"	-1.007276
"521067"	1127.667724	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M-H"	-1.007276
"897771"	375.217724	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-H"	-1.007276
"51784"	768.469271	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M-2H+NH4"	16.019271
"489159"	1144.694271	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M-2H+NH4"	16.019271
"865507"	392.244271	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-2H+NH4"	16.019271
"42528"	773.424666	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M-2H+Na"	20.974666
"480993"	1149.649666	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M-2H+Na"	20.974666
"854420"	397.199666	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-2H+Na"	20.974666
"1627236"	397.199666	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Na-2H"	20.974666
"103764"	393.206063	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M-H+Cl"	33.962126
"547701"	581.318563	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M-H+Cl"	33.962126
"939031"	205.093563	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-H+Cl"	33.962126
"278679"	787.419402	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+Cl"	34.969402
"668557"	1163.644402	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+Cl"	34.969402
"1280229"	411.194402	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Cl"	34.969402
"24972"	789.398606	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M-2H+K"	36.948606
"464535"	1165.623606	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M-2H+K"	36.948606
"841245"	413.173606	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-2H+K"	36.948606
"1560359"	413.173606	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+K-2H"	36.948606
"952614"	421.223194	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-H+HCOOH"	44.998194
"373745"	797.448201	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+HCOOH-H"	44.998201
"353616"	811.463851	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+Hac-H"	59.013851
"1503544"	435.238851	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Hac-H"	59.013851
"969992"	443.205151	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-H+NaCOOH"	66.980151
"115621"	411.194402	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+2Cl"	69.938804
"558463"	599.306902	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+2Cl"	69.938804
"1025439"	223.081902	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2Cl"	69.938804
"1248665"	455.143885	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Br"	78.918885
"1312572"	457.199872	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Cl+HCOOH"	80.974872
"1321682"	479.181829	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Cl+NaCOOH"	102.956829
"913837"	489.210586	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M-H+CF3COOH"	112.985586
"1292732"	525.187264	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Cl+CF3COOH"	148.962264
"1370527"	341.212324	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H-2H2O"	-35.012676
"1390213"	359.2223	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H-H2O"	-17.0027
"289900"	753.457276	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+H"	1.007276
"679768"	1129.682276	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+H"	1.007276
"1355751"	377.232276	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H"	1.007276
"131561"	377.232276	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+2H"	2.014552
"572211"	565.344776	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+2H"	2.014552
"1039915"	189.119776	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2H"	2.014552
"207088"	251.823942666667	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+3H"	3.021828
"655030"	377.232276	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+3H"	3.021828
"1166597"	126.415609333333	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+3H"	3.021828
"433158"	770.483823	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+NH4"	18.033823
"793060"	1146.708823	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+NH4"	18.033823
"1691577"	394.258823	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+NH4"	18.033823
"339856"	385.7455495	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+H+NH4"	19.041099
"733369"	573.8580495	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+H+NH4"	19.041099
"1488282"	197.6330495	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H+NH4"	19.041099
"402586"	775.439218	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+Na"	22.989218
"754551"	1151.664218	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+Na"	22.989218
"1602972"	399.214218	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Na"	22.989218
"314669"	388.223247	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+H+Na"	23.996494
"710865"	576.335747	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+H+Na"	23.996494
"1464683"	200.110747	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H+Na"	23.996494
"1063397"	133.742923333333	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2H+Na"	25.00377
"1258515"	409.258486	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+CH3OH+H"	33.033486
"388026"	791.413158	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+K"	38.963158
"742460"	1167.638158	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+K"	38.963158
"1551073"	415.188158	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+K"	38.963158
"309344"	396.210217	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+H+K"	39.970434
"699578"	584.322717	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+H+K"	39.970434
"1455587"	208.097717	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H+K"	39.970434
"247467"	794.483826	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+ACN+H"	42.033826
"1222361"	418.258826	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+ACN+H"	42.033826
"1206246"	209.633051	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+ACN+2H"	43.041102
"193650"	797.42116	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+2Na-H"	44.97116
"637584"	1173.64616	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+2Na-H"	44.97116
"1136715"	421.19616	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2Na-H"	44.97116
"177815"	399.214218	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+2Na"	45.978436
"614097"	587.326718	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+2Na"	45.978436
"1116875"	211.101718	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2Na"	45.978436
"1402227"	141.070237333333	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H+2Na"	46.985712
"1430330"	423.237746	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H+HCOOH"	47.012746
"225135"	404.24724	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+3H2O+2H"	56.04448
"1514295"	437.28979	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+IsoProp+H"	61.06479
"416168"	407.201188	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+Na+K"	61.952376
"773879"	595.313688	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+Na+K"	61.952376
"1671308"	219.088688	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Na+K"	61.952376
"260019"	816.465768	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+ACN+Na"	64.015768
"1230540"	440.240768	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+ACN+Na"	64.015768
"1724897"	440.264293	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+NH4+HCOOH"	64.039293
"1186972"	148.397551333333	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+3Na"	68.967654
"1652854"	445.219688	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Na+HCOOH"	68.994688
"164819"	829.36904	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+2K-H"	76.91904
"599275"	1205.59404	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+2K-H"	76.91904
"1091077"	453.14404	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2K-H"	76.91904
"142427"	415.188158	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"2M+2K"	77.926316
"583082"	603.300658	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"3M+2K"	77.926316
"1074155"	227.075658	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2K"	77.926316
"1101532"	455.158592	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2K+H"	78.933592
"1337674"	455.246207	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+DMSO+H"	79.021207
"1008265"	459.285376	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2ACN+H"	83.060376
"1527491"	460.279008	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+IsoProp+Na+H"	84.054008
"994673"	230.146326	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+2ACN+2H"	84.067652
"1590633"	461.193628	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+K+HCOOH"	84.968628
"1417387"	491.225138	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+H+CF3COOH"	115.000138
"1151682"	250.659601	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+3ACN+2H"	125.094202
"1702329"	508.251685	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+NH4+CF3COOH"	132.026685
"1636155"	513.20708	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+Na+CF3COOH"	136.98208
"1581286"	529.18102	"C18178"	"Resolvin D1;7S8R17S-Trihydroxydocosa-4Z9E11E13Z15E19Z-hexaenoic acid"	"C22H32O5"	"376.225"	"M+K+CF3COOH"	152.95602
"811650"	376.225	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M"	0
"988468"	357.20661	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-H2O-H"	-19.01839
"77567"	249.809390666667	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M-3H"	-3.021828
"516637"	375.217724	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M-3H"	-3.021828
"893345"	124.401057333333	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-3H"	-3.021828
"13866"	375.217724	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M-2H"	-2.014552
"454271"	563.330224	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M-2H"	-2.014552
"828916"	187.105224	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-2H"	-2.014552
"87813"	751.442724	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M-H"	-1.007276
"525188"	1127.667724	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M-H"	-1.007276
"898248"	375.217724	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-H"	-1.007276
"51894"	768.469271	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M-2H+NH4"	16.019271
"489996"	1144.694271	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M-2H+NH4"	16.019271
"868169"	392.244271	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-2H+NH4"	16.019271
"41545"	773.424666	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M-2H+Na"	20.974666
"478917"	1149.649666	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M-2H+Na"	20.974666
"851250"	397.199666	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-2H+Na"	20.974666
"1626253"	397.199666	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Na-2H"	20.974666
"106063"	393.206063	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M-H+Cl"	33.962126
"545625"	581.318563	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M-H+Cl"	33.962126
"933676"	205.093563	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-H+Cl"	33.962126
"273321"	787.419402	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+Cl"	34.969402
"669028"	1163.644402	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+Cl"	34.969402
"1278516"	411.194402	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Cl"	34.969402
"25082"	789.398606	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M-2H+K"	36.948606
"466832"	1165.623606	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M-2H+K"	36.948606
"841354"	413.173606	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-2H+K"	36.948606
"1562655"	413.173606	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+K-2H"	36.948606
"953455"	421.223194	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-H+HCOOH"	44.998194
"373126"	797.448201	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+HCOOH-H"	44.998201
"355914"	811.463851	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+Hac-H"	59.013851
"1502562"	435.238851	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Hac-H"	59.013851
"969009"	443.205151	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-H+NaCOOH"	66.980151
"120834"	411.194402	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+2Cl"	69.938804
"557478"	599.306902	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+2Cl"	69.938804
"1025913"	223.081902	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2Cl"	69.938804
"1245858"	455.143885	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Br"	78.918885
"1310495"	457.199872	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Cl+HCOOH"	80.974872
"1321425"	479.181829	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Cl+NaCOOH"	102.956829
"913212"	489.210586	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M-H+CF3COOH"	112.985586
"1293571"	525.187264	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Cl+CF3COOH"	148.962264
"1370271"	341.212324	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H-2H2O"	-35.012676
"1388136"	359.2223	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H-H2O"	-17.0027
"287823"	753.457276	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+H"	1.007276
"682431"	1129.682276	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+H"	1.007276
"1359873"	377.232276	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H"	1.007276
"131671"	377.232276	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+2H"	2.014552
"573415"	565.344776	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+2H"	2.014552
"1045494"	189.119776	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2H"	2.014552
"213396"	251.823942666667	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+3H"	3.021828
"651861"	377.232276	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+3H"	3.021828
"1169987"	126.415609333333	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+3H"	3.021828
"438008"	770.483823	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+NH4"	18.033823
"797544"	1146.708823	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+NH4"	18.033823
"1693512"	394.258823	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+NH4"	18.033823
"341790"	385.7455495	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+H+NH4"	19.041099
"733482"	573.8580495	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+H+NH4"	19.041099
"1487301"	197.6330495	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H+NH4"	19.041099
"401604"	775.439218	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+Na"	22.989218
"756407"	1151.664218	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+Na"	22.989218
"1603243"	399.214218	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Na"	22.989218
"315270"	388.223247	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+H+Na"	23.996494
"714256"	576.335747	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+H+Na"	23.996494
"1465888"	200.110747	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H+Na"	23.996494
"1058040"	133.742923333333	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2H+Na"	25.00377
"1264094"	409.258486	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+CH3OH+H"	33.033486
"381575"	791.413158	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+K"	38.963158
"744757"	1167.638158	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+K"	38.963158
"1550090"	415.188158	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+K"	38.963158
"308361"	396.210217	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+H+K"	39.970434
"698594"	584.322717	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+H+K"	39.970434
"1455697"	208.097717	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H+K"	39.970434
"244296"	794.483826	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+ACN+H"	42.033826
"1222471"	418.258826	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+ACN+H"	42.033826
"1206354"	209.633051	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+ACN+2H"	43.041102
"193028"	797.42116	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+2Na-H"	44.97116
"637693"	1173.64616	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+2Na-H"	44.97116
"1137918"	421.19616	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2Na-H"	44.97116
"179020"	399.214218	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+2Na"	45.978436
"613235"	587.326718	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+2Na"	45.978436
"1116985"	211.101718	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2Na"	45.978436
"1402336"	141.070237333333	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H+2Na"	46.985712
"1431167"	423.237746	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H+HCOOH"	47.012746
"223056"	404.24724	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+3H2O+2H"	56.04448
"1514405"	437.28979	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+IsoProp+H"	61.06479
"416278"	407.201188	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+Na+K"	61.952376
"772896"	595.313688	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+Na+K"	61.952376
"1668866"	219.088688	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Na+K"	61.952376
"253925"	816.465768	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+ACN+Na"	64.015768
"1232839"	440.240768	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+ACN+Na"	64.015768
"1719535"	440.264293	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+NH4+HCOOH"	64.039293
"1189269"	148.397551333333	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+3Na"	68.967654
"1652600"	445.219688	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Na+HCOOH"	68.994688
"162742"	829.36904	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+2K-H"	76.91904
"599021"	1205.59404	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+2K-H"	76.91904
"1091187"	453.14404	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2K-H"	76.91904
"142539"	415.188158	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"2M+2K"	77.926316
"583192"	603.300658	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"3M+2K"	77.926316
"1070985"	227.075658	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2K"	77.926316
"1102008"	455.158592	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2K+H"	78.933592
"1342766"	455.246207	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+DMSO+H"	79.021207
"1009105"	459.285376	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2ACN+H"	83.060376
"1527237"	460.279008	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+IsoProp+Na+H"	84.054008
"994782"	230.146326	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+2ACN+2H"	84.067652
"1589650"	461.193628	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+K+HCOOH"	84.968628
"1416040"	491.225138	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+H+CF3COOH"	115.000138
"1148514"	250.659601	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+3ACN+2H"	125.094202
"1705720"	508.251685	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+NH4+CF3COOH"	132.026685
"1640276"	513.20708	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+Na+CF3COOH"	136.98208
"1584676"	529.18102	"C18179"	"Resolvin D2"	"C22H32O5"	"376.225"	"M+K+CF3COOH"	152.95602
"810667"	455.7407	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M"	0
"986388"	436.72231	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-H2O-H"	-19.01839
"77186"	302.819857333333	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M-3H"	-3.021828
"516382"	454.733424	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M-3H"	-3.021828
"892726"	150.906290666667	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-3H"	-3.021828
"12756"	454.733424	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M-2H"	-2.014552
"453409"	682.603774	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M-2H"	-2.014552
"831213"	226.863074	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-2H"	-2.014552
"87923"	910.474124	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M-H"	-1.007276
"528578"	1366.214824	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M-H"	-1.007276
"899087"	454.733424	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-H"	-1.007276
"51275"	927.500671	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M-2H+NH4"	16.019271
"491201"	1383.241371	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M-2H+NH4"	16.019271
"868279"	471.759971	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-2H+NH4"	16.019271
"42745"	932.456066	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M-2H+Na"	20.974666
"484490"	1388.196766	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M-2H+Na"	20.974666
"853545"	476.715366	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-2H+Na"	20.974666
"1624170"	476.715366	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Na-2H"	20.974666
"106903"	472.721763	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M-H+Cl"	33.962126
"544642"	700.592113	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M-H+Cl"	33.962126
"933787"	244.851413	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-H+Cl"	33.962126
"278534"	946.450802	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+Cl"	34.969402
"666949"	1402.191502	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+Cl"	34.969402
"1278990"	490.710102	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Cl"	34.969402
"24463"	948.430006	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M-2H+K"	36.948606
"464388"	1404.170706	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M-2H+K"	36.948606
"843651"	492.689306	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-2H+K"	36.948606
"1566045"	492.689306	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+K-2H"	36.948606
"951739"	500.738894	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-H+HCOOH"	44.998194
"372508"	956.479601	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+HCOOH-H"	44.998201
"353837"	970.495251	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+Hac-H"	59.013851
"1502672"	514.754551	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Hac-H"	59.013851
"969486"	522.720851	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-H+NaCOOH"	66.980151
"119488"	490.710102	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+2Cl"	69.938804
"556493"	718.580452	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+2Cl"	69.938804
"1025660"	262.839752	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2Cl"	69.938804
"1244875"	534.659585	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Br"	78.918885
"1308418"	536.715572	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Cl+HCOOH"	80.974872
"1324094"	558.697529	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Cl+NaCOOH"	102.956829
"918069"	568.726286	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M-H+CF3COOH"	112.985586
"1290155"	604.702964	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Cl+CF3COOH"	148.962264
"1369656"	420.728024	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H-2H2O"	-35.012676
"1387882"	438.738	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H-H2O"	-17.0027
"286475"	912.488676	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+H"	1.007276
"684729"	1368.229376	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+H"	1.007276
"1359985"	456.747976	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H"	1.007276
"134331"	456.747976	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+2H"	2.014552
"573527"	684.618326	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+2H"	2.014552
"1045604"	228.877626	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2H"	2.014552
"213506"	304.834409333333	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+3H"	3.021828
"653064"	456.747976	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+3H"	3.021828
"1170097"	152.920842666667	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+3H"	3.021828
"434472"	929.515223	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+NH4"	18.033823
"797654"	1385.255923	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+NH4"	18.033823
"1695079"	473.774523	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+NH4"	18.033823
"341171"	465.2612495	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+H+NH4"	19.041099
"733592"	693.1315995	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+H+NH4"	19.041099
"1488504"	237.3908995	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H+NH4"	19.041099
"402807"	934.470618	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+Na"	22.989218
"754570"	1390.211318	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+Na"	22.989218
"1603761"	478.729918	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Na"	22.989218
"316838"	467.738947	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+H+Na"	23.996494
"708532"	695.609297	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+H+Na"	23.996494
"1468184"	239.868597	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H+Na"	23.996494
"1063616"	160.248156666667	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2H+Na"	25.00377
"1263111"	488.774186	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+CH3OH+H"	33.033486
"389339"	950.444558	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+K"	38.963158
"752158"	1406.185258	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+K"	38.963158
"1553481"	494.703858	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+K"	38.963158
"311023"	475.725917	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+H+K"	39.970434
"699800"	703.596267	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+H+K"	39.970434
"1456536"	247.855567	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H+K"	39.970434
"242221"	953.515226	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+ACN+H"	42.033826
"1221488"	497.774526	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+ACN+H"	42.033826
"1205007"	249.390901	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+ACN+2H"	43.041102
"192044"	956.45256	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+2Na-H"	44.97116
"633428"	1412.19326	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+2Na-H"	44.97116
"1135111"	500.71186	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2Na-H"	44.97116
"178765"	478.729918	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+2Na"	45.978436
"620146"	706.600268	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+2Na"	45.978436
"1117090"	250.859568	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2Na"	45.978436
"1400615"	167.575470666667	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H+2Na"	46.985712
"1432004"	502.753446	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H+HCOOH"	47.012746
"220974"	483.76294	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+3H2O+2H"	56.04448
"1512327"	516.80549	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+IsoProp+H"	61.06479
"415294"	486.716888	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+Na+K"	61.952376
"771916"	714.587238	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+Na+K"	61.952376
"1669706"	258.846538	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Na+K"	61.952376
"252577"	975.497168	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+ACN+Na"	64.015768
"1236231"	519.756468	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+ACN+Na"	64.015768
"1716368"	519.779993	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+NH4+HCOOH"	64.039293
"1189379"	174.902784666667	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+3Na"	68.967654
"1657084"	524.735388	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Na+HCOOH"	68.994688
"165039"	988.40044	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+2K-H"	76.91904
"601317"	1444.14114	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+2K-H"	76.91904
"1088017"	532.65974	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2K-H"	76.91904
"142038"	494.703858	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"2M+2K"	77.926316
"585488"	722.574208	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"3M+2K"	77.926316
"1071095"	266.833508	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2K"	77.926316
"1101872"	534.674292	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2K+H"	78.933592
"1342876"	534.761907	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+DMSO+H"	79.021207
"1008123"	538.801076	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2ACN+H"	83.060376
"1527347"	539.794708	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+IsoProp+Na+H"	84.054008
"997079"	269.904176	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+2ACN+2H"	84.067652
"1587573"	540.709328	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+K+HCOOH"	84.968628
"1418338"	570.740838	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+H+CF3COOH"	115.000138
"1151906"	290.417451	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+3ACN+2H"	125.094202
"1705830"	587.767385	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+NH4+CF3COOH"	132.026685
"1638200"	592.72278	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+Na+CF3COOH"	136.98208
"1584786"	608.69672	"C18180"	"12346789-Octachlorodibenzo-p-dioxin;Octachlorodibenzo-p-dioxin;OCDD;PCDD 75"	"C12Cl8O2"	"455.7407"	"M+K+CF3COOH"	152.95602
"816259"	680.4347	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M"	0
"987602"	661.41631	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-H2O-H"	-19.01839
"73664"	452.615857333333	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M-3H"	-3.021828
"516507"	679.427424	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M-3H"	-3.021828
"893217"	225.804290666667	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-3H"	-3.021828
"11792"	679.427424	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M-2H"	-2.014552
"454030"	1019.644774	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M-2H"	-2.014552
"831351"	339.210074	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-2H"	-2.014552
"89149"	1359.862124	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M-H"	-1.007276
"529804"	2040.296824	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M-H"	-1.007276
"907606"	679.427424	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-H"	-1.007276
"61376"	1376.888671	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M-2H+NH4"	16.019271
"500817"	2057.323371	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M-2H+NH4"	16.019271
"878133"	696.453971	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-2H+NH4"	16.019271
"43843"	1381.844066	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M-2H+Na"	20.974666
"485591"	2062.278766	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M-2H+Na"	20.974666
"862420"	701.409366	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-2H+Na"	20.974666
"1632321"	701.409366	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Na-2H"	20.974666
"107389"	697.415763	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M-H+Cl"	33.962126
"548894"	1037.633113	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M-H+Cl"	33.962126
"940340"	357.198413	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-H+Cl"	33.962126
"280112"	1395.838802	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+Cl"	34.969402
"671442"	2076.273502	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+Cl"	34.969402
"1281290"	715.404102	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Cl"	34.969402
"24939"	1397.818006	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M-2H+K"	36.948606
"458667"	2078.252706	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M-2H+K"	36.948606
"838292"	717.383306	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-2H+K"	36.948606
"1559598"	717.383306	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+K-2H"	36.948606
"947481"	725.432894	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-H+HCOOH"	44.998194
"366789"	1405.867601	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+HCOOH-H"	44.998201
"351767"	1419.883251	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+Hac-H"	59.013851
"1500601"	739.448551	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Hac-H"	59.013851
"967047"	747.414851	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-H+NaCOOH"	66.980151
"116317"	715.404102	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+2Cl"	69.938804
"557701"	1055.621452	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+2Cl"	69.938804
"1026499"	375.186752	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2Cl"	69.938804
"1246804"	759.353585	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Br"	78.918885
"1309982"	761.409572	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Cl+HCOOH"	80.974872
"1326386"	783.391529	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Cl+NaCOOH"	102.956829
"917809"	793.420286	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M-H+CF3COOH"	112.985586
"1293790"	829.396964	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Cl+CF3COOH"	148.962264
"1370496"	645.422024	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H-2H2O"	-35.012676
"1389453"	663.432	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H-H2O"	-17.0027
"289139"	1361.876676	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+H"	1.007276
"682653"	2042.311376	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+H"	1.007276
"1355724"	681.441976	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H"	1.007276
"129707"	681.441976	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+2H"	2.014552
"573640"	1021.659326	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+2H"	2.014552
"1042440"	341.224626	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2H"	2.014552
"209252"	454.630409333333	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+3H"	3.021828
"650999"	681.441976	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+3H"	3.021828
"1166936"	227.818842666667	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+3H"	3.021828
"428024"	1378.903223	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+NH4"	18.033823
"791203"	2059.337923	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+NH4"	18.033823
"1690818"	698.468523	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+NH4"	18.033823
"334720"	689.9552495	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+H+NH4"	19.041099
"728236"	1030.1725995	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+H+NH4"	19.041099
"1484239"	349.7378995	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H+NH4"	19.041099
"400731"	1383.858618	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+Na"	22.989218
"761728"	2064.293318	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+Na"	22.989218
"1609825"	703.423918	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Na"	22.989218
"319866"	692.432947	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+H+Na"	23.996494
"716661"	1032.650297	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+H+Na"	23.996494
"1469387"	352.215597	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H+Na"	23.996494
"1057166"	235.146156666667	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2H+Na"	25.00377
"1266498"	713.468186	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+CH3OH+H"	33.033486
"385073"	1399.832558	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+K"	38.963158
"751173"	2080.267258	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+K"	38.963158
"1554320"	719.397858	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+K"	38.963158
"308580"	700.419917	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+H+K"	39.970434
"699907"	1040.637267	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+H+K"	39.970434
"1448621"	360.202567	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H+K"	39.970434
"238316"	1402.903226	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+ACN+H"	42.033826
"1215047"	722.468526	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+ACN+H"	42.033826
"1197111"	361.737901	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+ACN+2H"	43.041102
"194358"	1405.84056	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+2Na-H"	44.97116
"632460"	2086.27526	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+2Na-H"	44.97116
"1137062"	725.40586	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2Na-H"	44.97116
"174886"	703.423918	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+2Na"	45.978436
"625386"	1043.641268	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+2Na"	45.978436
"1128893"	363.206568	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2Na"	45.978436
"1401118"	242.473470666667	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H+2Na"	46.985712
"1432139"	727.447446	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H+HCOOH"	47.012746
"224388"	708.45694	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+3H2O+2H"	56.04448
"1510628"	741.49949	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+IsoProp+H"	61.06479
"414324"	711.410888	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+Na+K"	61.952376
"772402"	1051.628238	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+Na+K"	61.952376
"1668734"	371.193538	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Na+K"	61.952376
"254887"	1424.885168	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+ACN+Na"	64.015768
"1227597"	744.450468	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+ACN+Na"	64.015768
"1713933"	744.473993	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+NH4+HCOOH"	64.039293
"1186219"	249.800784666667	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+3Na"	68.967654
"1655021"	749.429388	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Na+HCOOH"	68.994688
"161883"	1437.78844	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+2K-H"	76.91904
"599621"	2118.22314	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+2K-H"	76.91904
"1087050"	757.35374	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2K-H"	76.91904
"149330"	719.397858	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"2M+2K"	77.926316
"586703"	1059.615208	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"3M+2K"	77.926316
"1073404"	379.180508	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2K"	77.926316
"1105521"	759.368292	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2K+H"	78.933592
"1338627"	759.455907	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+DMSO+H"	79.021207
"1012624"	763.495076	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2ACN+H"	83.060376
"1531841"	764.488708	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+IsoProp+Na+H"	84.054008
"999380"	382.251176	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+2ACN+2H"	84.067652
"1593884"	765.403328	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+K+HCOOH"	84.968628
"1419544"	795.434838	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+H+CF3COOH"	115.000138
"1155301"	402.764451	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+3ACN+2H"	125.094202
"1705947"	812.461385	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+NH4+CF3COOH"	132.026685
"1638319"	817.41678	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+Na+CF3COOH"	136.98208
"1578344"	833.39072	"C18191"	"13-Sophorosyloxydocosanoic acid"	"C34H64O13"	"680.4347"	"M+K+CF3COOH"	152.95602
"811990"	398.3549	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M"	0
"987712"	379.33651	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-H2O-H"	-19.01839
"77054"	264.562657333333	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M-3H"	-3.021828
"513334"	397.347624	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M-3H"	-3.021828
"894418"	131.777690666667	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-3H"	-3.021828
"11899"	397.347624	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M-2H"	-2.014552
"454624"	596.525074	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M-2H"	-2.014552
"831702"	198.170174	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-2H"	-2.014552
"90353"	795.702524	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M-H"	-1.007276
"529915"	1194.057424	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M-H"	-1.007276
"909179"	397.347624	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-H"	-1.007276
"58813"	812.729071	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M-2H+NH4"	16.019271
"499833"	1211.083971	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M-2H+NH4"	16.019271
"877635"	414.374171	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-2H+NH4"	16.019271
"42982"	817.684466	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M-2H+Na"	20.974666
"485097"	1216.039366	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M-2H+Na"	20.974666
"862654"	419.329566	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-2H+Na"	20.974666
"1632064"	419.329566	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Na-2H"	20.974666
"108715"	415.335963	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M-H+Cl"	33.962126
"549247"	614.513413	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M-H+Cl"	33.962126
"939477"	216.158513	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-H+Cl"	33.962126
"279128"	831.679202	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+Cl"	34.969402
"672643"	1230.034102	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+Cl"	34.969402
"1283220"	433.324302	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Cl"	34.969402
"25777"	833.658406	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M-2H+K"	36.948606
"458776"	1232.013306	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M-2H+K"	36.948606
"838038"	435.303506	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-2H+K"	36.948606
"1565174"	435.303506	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+K-2H"	36.948606
"949777"	443.353094	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-H+HCOOH"	44.998194
"367992"	841.708001	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+HCOOH-H"	44.998201
"349690"	855.723651	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+Hac-H"	59.013851
"1499616"	457.368751	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Hac-H"	59.013851
"967157"	465.335051	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-H+NaCOOH"	66.980151
"118613"	433.324302	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+2Cl"	69.938804
"559996"	632.501752	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+2Cl"	69.938804
"1026974"	234.146852	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2Cl"	69.938804
"1246183"	477.273785	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Br"	78.918885
"1308268"	479.329772	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Cl+HCOOH"	80.974872
"1321753"	501.311729	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Cl+NaCOOH"	102.956829
"913908"	511.340486	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M-H+CF3COOH"	112.985586
"1290252"	547.317164	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Cl+CF3COOH"	148.962264
"1369514"	363.342224	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H-2H2O"	-35.012676
"1389563"	381.3522	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H-H2O"	-17.0027
"287062"	797.717076	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+H"	1.007276
"681669"	1196.071976	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+H"	1.007276
"1356927"	399.362176	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H"	1.007276
"132003"	399.362176	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+2H"	2.014552
"577031"	598.539626	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+2H"	2.014552
"1048017"	200.184726	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2H"	2.014552
"210455"	266.577209333333	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+3H"	3.021828
"652201"	399.362176	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+3H"	3.021828
"1168140"	133.792242666667	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+3H"	3.021828
"430321"	814.743623	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+NH4"	18.033823
"790221"	1213.098523	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+NH4"	18.033823
"1689835"	416.388723	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+NH4"	18.033823
"335925"	407.8754495	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+H+NH4"	19.041099
"728346"	607.0528995	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+H+NH4"	19.041099
"1486536"	208.6979995	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H+NH4"	19.041099
"403028"	819.699018	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+Na"	22.989218
"761839"	1218.053918	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+Na"	22.989218
"1612122"	421.344118	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Na"	22.989218
"323256"	410.353147	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+H+Na"	23.996494
"718958"	609.530597	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+H+Na"	23.996494
"1472778"	211.175697	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H+Na"	23.996494
"1060556"	141.119556666667	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2H+Na"	25.00377
"1266610"	431.388386	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+CH3OH+H"	33.033486
"386276"	835.672958	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+K"	38.963158
"752012"	1234.027858	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+K"	38.963158
"1554066"	437.318058	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+K"	38.963158
"311607"	418.340117	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+H+K"	39.970434
"701112"	617.517567	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+H+K"	39.970434
"1452743"	219.162667	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H+K"	39.970434
"238425"	838.743626	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+ACN+H"	42.033826
"1212970"	440.388726	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+ACN+H"	42.033826
"1196854"	220.698001	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+ACN+2H"	43.041102
"190819"	841.68096	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+2Na-H"	44.97116
"632205"	1240.03586	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+2Na-H"	44.97116
"1138263"	443.32606	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2Na-H"	44.97116
"177183"	421.344118	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+2Na"	45.978436
"625496"	620.521568	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+2Na"	45.978436
"1126817"	222.166668	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2Na"	45.978436
"1404875"	148.446870666667	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H+2Na"	46.985712
"1438082"	445.367646	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H+HCOOH"	47.012746
"227779"	426.37714	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+3H2O+2H"	56.04448
"1511465"	459.41969	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+IsoProp+H"	61.06479
"415527"	429.331088	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+Na+K"	61.952376
"772877"	628.508538	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+Na+K"	61.952376
"1668115"	230.153638	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Na+K"	61.952376
"253904"	860.725568	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+ACN+Na"	64.015768
"1228070"	462.370668	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+ACN+Na"	64.015768
"1713678"	462.394193	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+NH4+HCOOH"	64.039293
"1188516"	155.774184666667	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+3Na"	68.967654
"1654041"	467.349588	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Na+HCOOH"	68.994688
"161995"	873.62884	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+2K-H"	76.91904
"600462"	1271.98374	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+2K-H"	76.91904
"1090440"	475.27394	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2K-H"	76.91904
"149441"	437.318058	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"2M+2K"	77.926316
"586812"	636.495508	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"3M+2K"	77.926316
"1072422"	238.140608	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2K"	77.926316
"1105631"	477.288492	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2K+H"	78.933592
"1338737"	477.376107	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+DMSO+H"	79.021207
"1013827"	481.415276	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2ACN+H"	83.060376
"1529765"	482.408908	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+IsoProp+Na+H"	84.054008
"997304"	241.211276	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+2ACN+2H"	84.067652
"1593994"	483.323528	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+K+HCOOH"	84.968628
"1419654"	513.355038	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+H+CF3COOH"	115.000138
"1154318"	261.724551	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+3ACN+2H"	125.094202
"1704964"	530.381585	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+NH4+CF3COOH"	132.026685
"1637700"	535.33698	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+Na+CF3COOH"	136.98208
"1578454"	551.31092	"C18192"	"Vitamin D4;22-Dihydroergocalciferol;(5Z7E)-(3S)-910-Seco-5710(19)-ergostatrien-3-ol"	"C28H46O"	"398.3549"	"M+K+CF3COOH"	152.95602
"812100"	412.3705	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M"	0
"987822"	393.35211	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-H2O-H"	-19.01839
"74973"	273.906390666667	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M-3H"	-3.021828
"513442"	411.363224	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M-3H"	-3.021828
"883954"	136.449557333333	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-3H"	-3.021828
"12009"	411.363224	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M-2H"	-2.014552
"449386"	617.548474	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M-2H"	-2.014552
"827185"	205.177974	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-2H"	-2.014552
"93992"	823.733724	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M-H"	-1.007276
"530026"	1236.104224	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M-H"	-1.007276
"906734"	411.363224	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-H"	-1.007276
"60015"	840.760271	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M-2H+NH4"	16.019271
"502215"	1253.130771	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M-2H+NH4"	16.019271
"879088"	428.389771	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-2H+NH4"	16.019271
"43092"	845.715666	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M-2H+Na"	20.974666
"485932"	1258.086166	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M-2H+Na"	20.974666
"863369"	433.345166	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-2H+Na"	20.974666
"1632172"	433.345166	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Na-2H"	20.974666
"108338"	429.351563	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M-H+Cl"	33.962126
"549233"	635.536813	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M-H+Cl"	33.962126
"940680"	223.166313	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-H+Cl"	33.962126
"281304"	859.710402	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+Cl"	34.969402
"672752"	1272.080902	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+Cl"	34.969402
"1280779"	447.339902	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Cl"	34.969402
"24430"	861.689606	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M-2H+K"	36.948606
"457428"	1274.060106	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M-2H+K"	36.948606
"836328"	449.319106	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-2H+K"	36.948606
"1562004"	449.319106	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+K-2H"	36.948606
"949886"	457.368694	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-H+HCOOH"	44.998194
"363727"	869.739201	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+HCOOH-H"	44.998201
"351987"	883.754851	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+Hac-H"	59.013851
"1495351"	471.384351	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Hac-H"	59.013851
"966171"	479.350651	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-H+NaCOOH"	66.980151
"116171"	447.339902	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+2Cl"	69.938804
"556826"	653.525152	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+2Cl"	69.938804
"1026720"	241.154652	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2Cl"	69.938804
"1249577"	491.289385	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Br"	78.918885
"1308378"	493.345372	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Cl+HCOOH"	80.974872
"1325145"	515.327329	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Cl+NaCOOH"	102.956829
"916205"	525.356086	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M-H+CF3COOH"	112.985586
"1296194"	561.332764	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Cl+CF3COOH"	148.962264
"1367801"	377.357824	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H-2H2O"	-35.012676
"1388580"	395.3678	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H-H2O"	-17.0027
"284985"	825.748276	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+H"	1.007276
"677407"	1238.118776	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+H"	1.007276
"1355944"	413.377776	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H"	1.007276
"129927"	413.377776	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+2H"	2.014552
"576049"	619.563026	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+2H"	2.014552
"1045940"	207.192526	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2H"	2.014552
"211659"	275.920942666667	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+3H"	3.021828
"651218"	413.377776	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+3H"	3.021828
"1168250"	138.464109333333	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+3H"	3.021828
"433711"	842.774823	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+NH4"	18.033823
"790695"	1255.145323	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+NH4"	18.033823
"1689945"	430.404323	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+NH4"	18.033823
"336035"	421.8910495	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+H+NH4"	19.041099
"729549"	628.0762995	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+H+NH4"	19.041099
"1488833"	215.7057995	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H+NH4"	19.041099
"403139"	847.730218	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+Na"	22.989218
"763042"	1260.100718	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+Na"	22.989218
"1611139"	435.359718	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Na"	22.989218
"324095"	424.368747	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+H+Na"	23.996494
"716517"	630.553997	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+H+Na"	23.996494
"1469244"	218.183497	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H+Na"	23.996494
"1059574"	145.791423333333	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2H+Na"	25.00377
"1267813"	445.403986	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+CH3OH+H"	33.033486
"387115"	863.704158	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+K"	38.963158
"751029"	1276.074658	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+K"	38.963158
"1555027"	451.333658	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+K"	38.963158
"310625"	432.355717	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+H+K"	39.970434
"701222"	638.540967	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+H+K"	39.970434
"1451760"	226.170467	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H+K"	39.970434
"239630"	866.774826	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+ACN+H"	42.033826
"1211135"	454.404326	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+ACN+H"	42.033826
"1196964"	227.705801	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+ACN+2H"	43.041102
"189347"	869.71216	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+2Na-H"	44.97116
"632315"	1282.08266	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+2Na-H"	44.97116
"1136186"	457.34166	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2Na-H"	44.97116
"177655"	435.359718	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+2Na"	45.978436
"616122"	641.544968	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+2Na"	45.978436
"1124738"	229.174468	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2Na"	45.978436
"1409355"	153.118737333333	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H+2Na"	46.985712
"1441473"	459.383246	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H+HCOOH"	47.012746
"224972"	440.39274	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+3H2O+2H"	56.04448
"1514127"	473.43529	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+IsoProp+H"	61.06479
"412720"	443.346688	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+Na+K"	61.952376
"772986"	649.531938	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+Na+K"	61.952376
"1667496"	237.161438	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Na+K"	61.952376
"253284"	888.756768	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+ACN+Na"	64.015768
"1227814"	476.386268	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+ACN+Na"	64.015768
"1713784"	476.409793	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+NH4+HCOOH"	64.039293
"1188625"	160.446051333333	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+3Na"	68.967654
"1657430"	481.365188	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Na+HCOOH"	68.994688
"166477"	901.66004	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+2K-H"	76.91904
"602758"	1314.03054	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+2K-H"	76.91904
"1091643"	489.28954	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2K-H"	76.91904
"149551"	451.333658	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"2M+2K"	77.926316
"586922"	657.518908	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"3M+2K"	77.926316
"1072531"	245.148408	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2K"	77.926316
"1106834"	491.304092	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2K+H"	78.933592
"1336537"	491.391707	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+DMSO+H"	79.021207
"1012843"	495.430876	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2ACN+H"	83.060376
"1527688"	496.424508	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+IsoProp+Na+H"	84.054008
"997414"	248.219076	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+2ACN+2H"	84.067652
"1590824"	497.339128	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+K+HCOOH"	84.968628
"1419764"	527.370638	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+H+CF3COOH"	115.000138
"1152241"	268.732351	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+3ACN+2H"	125.094202
"1706167"	544.397185	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+NH4+CF3COOH"	132.026685
"1637810"	549.35258	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+Na+CF3COOH"	136.98208
"1578564"	565.32652	"C18193"	"Vitamin D5;(5Z7E)-910-Secostigmasta-5710(19)-trien-3beta-ol"	"C29H48O"	"412.3705"	"M+K+CF3COOH"	152.95602
"812210"	300.2089	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M"	0
"987932"	281.19051	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"76786"	199.131990666667	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"514646"	299.201624	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"885889"	99.0623573333333	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"3371"	299.201624	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"452775"	449.306074	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"828389"	149.097174	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"93734"	599.410524	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"525759"	899.619424	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"909030"	299.201624	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"54657"	616.437071	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"494217"	916.645971	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"869832"	316.228171	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"44293"	621.392466	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"484825"	921.601366	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"859468"	321.183566	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1632281"	321.183566	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"106620"	317.189963	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"547276"	467.294413	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"940669"	167.085513	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"279351"	635.387202	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"670675"	935.596102	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1278702"	335.178302	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"28916"	637.366406	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"458634"	937.575306	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"838626"	337.157506	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1562115"	337.157506	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"949996"	345.207094	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"366024"	645.416001	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"355377"	659.431651	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1502022"	359.222751	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"968469"	367.189051	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"116281"	335.178302	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"558031"	485.282752	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1029017"	185.073852	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1244221"	379.127785	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1314322"	381.183772	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1325256"	403.165729	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"920690"	413.194486	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1289744"	449.171164	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1367547"	265.196224	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1388690"	283.2062	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"284365"	601.425076	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"680797"	901.633976	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1357147"	301.216176	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"131132"	301.216176	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"570690"	451.320626	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1041678"	151.111726	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"211769"	201.146542666667	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"651327"	301.216176	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1169454"	101.076909333333	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"437102"	618.451623	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"794816"	918.660523	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1692607"	318.242723	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"337238"	309.7294495	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"732939"	459.8338995	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1488943"	159.6249995	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"403249"	623.407018	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"762057"	923.615918	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1610156"	323.198118	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"323473"	312.207147	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"714440"	462.311597	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1475311"	162.102697	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1062964"	108.404223333333	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1267924"	333.242386	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"391363"	639.380958	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"752235"	939.589858	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1553922"	339.172058	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"312195"	320.194117	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"702425"	470.298567	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1455153"	170.089667	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"238647"	642.451626	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1211125"	342.242726	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1198168"	171.625001	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"188969"	645.38896	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"632060"	945.59786	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1137025"	345.18006	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"176672"	323.198118	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"613800"	473.302568	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1124848"	173.093668	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1408372"	115.731537333333	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1437209"	347.221646	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"225812"	328.23114	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1513144"	361.27369	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"411736"	331.185088	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"774919"	481.289538	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1667969"	181.080638	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"254123"	664.433568	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1227197"	364.224668	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1714626"	364.248193	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1188735"	123.058851333333	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1657540"	369.203588	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"166587"	677.33684	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"603959"	977.54574	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1095033"	377.12794	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"150755"	339.172058	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"584845"	489.276508	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1073735"	189.067608	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1105851"	379.142492	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1340051"	379.230107	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1014047"	383.269276	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1528892"	384.262908	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"996430"	192.138276	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1594218"	385.177528	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1419878"	415.209038	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1160008"	212.651551	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1706277"	432.235585	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1644117"	437.19098	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1578674"	453.16492	"C18195"	"(3R)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"812320"	300.2089	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M"	0
"988042"	281.19051	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"75192"	199.131990666667	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"511474"	299.201624	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"885995"	99.0623573333333	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"4574"	299.201624	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"444133"	449.306074	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"827405"	149.097174	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"93562"	599.410524	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"526963"	899.619424	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"909140"	299.201624	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"55860"	616.437071	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"493234"	916.645971	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"874316"	316.228171	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"38207"	621.392466	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"481773"	921.601366	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"859576"	321.183566	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1629108"	321.183566	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"107706"	317.189963	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"547995"	467.294413	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"939806"	167.085513	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"280309"	635.387202	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"671878"	935.596102	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1282096"	335.178302	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"23559"	637.366406	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"458746"	937.575306	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"838736"	337.157506	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1562225"	337.157506	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"950106"	345.207094	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"366134"	645.416001	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"354394"	659.431651	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1498852"	359.222751	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"963112"	367.189051	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"114932"	335.178302	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"552669"	485.282752	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1023047"	185.073852	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1243965"	379.127785	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1309328"	381.183772	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1326461"	403.165729	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"917519"	413.194486	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1289123"	449.171164	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1370210"	265.196224	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1388800"	283.2062	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"290673"	601.425076	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"685281"	901.633976	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1358351"	301.216176	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"130148"	301.216176	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"568616"	451.320626	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1043978"	151.111726	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"211879"	201.146542666667	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"653623"	301.216176	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1171752"	101.076909333333	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"437212"	618.451623	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"793833"	918.660523	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1693445"	318.242723	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"337348"	309.7294495	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"733049"	459.8338995	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1487959"	159.6249995	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"401172"	623.407018	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"762167"	923.615918	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1609173"	323.198118	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"324676"	312.207147	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"717102"	462.311597	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1475663"	162.102697	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1063075"	108.404223333333	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1269128"	333.242386	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"391957"	639.380958	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"753316"	939.589858	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1554031"	339.172058	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"312670"	320.194117	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"705451"	470.298567	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1458543"	170.089667	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"239121"	642.451626	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1213300"	342.242726	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1199371"	171.625001	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"192241"	645.38896	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"631077"	945.59786	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1136406"	345.18006	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"177875"	323.198118	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"614155"	473.302568	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1124958"	173.093668	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1408482"	115.731537333333	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1437319"	347.221646	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"223006"	328.23114	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1509971"	361.27369	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"410388"	331.185088	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"774300"	481.289538	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1668078"	181.080638	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"253140"	664.433568	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1227303"	364.224668	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1713760"	364.248193	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1181553"	123.058851333333	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1653638"	369.203588	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"163414"	677.33684	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"600056"	977.54574	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1091864"	377.12794	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"150865"	339.172058	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"583862"	489.276508	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1071659"	189.067608	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1104868"	379.142492	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1340161"	379.230107	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1015251"	383.269276	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1532280"	384.262908	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"993264"	192.138276	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1596516"	385.177528	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1423270"	415.209038	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1157931"	212.651551	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1703108"	432.235585	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1644227"	437.19098	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1578784"	453.16492	"C18196"	"(3R)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"806969"	170.1307	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M"	0
"979409"	151.11231	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"67650"	112.413190666667	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"515972"	169.123424	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"891585"	55.7029573333333	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"13440"	169.123424	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"451906"	254.188774	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"828615"	84.058074	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"93349"	339.254124	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"532179"	509.384824	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"907063"	169.123424	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"60344"	356.280671	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"501242"	526.411371	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"878680"	186.149971	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"42323"	361.236066	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"474226"	531.366766	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"860777"	191.105366	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1632498"	191.105366	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"101377"	187.111763	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"541299"	272.177113	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"931172"	102.046413	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"274104"	375.230802	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"669805"	545.361502	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1277835"	205.100102	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"20388"	377.210006	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"461039"	547.340706	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"839936"	207.079306	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1558684"	207.079306	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"948028"	215.128894	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"366244"	385.259601	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"349032"	399.275251	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1498956"	229.144551	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"962122"	237.110851	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"111148"	205.100102	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"552413"	290.165452	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1023033"	120.034752	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1256567"	249.049585	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1310179"	251.105572	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1329863"	273.087529	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"916546"	283.116286	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1299816"	319.092964	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1371416"	135.118024	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1383081"	153.128	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"283135"	341.268676	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"677744"	511.399376	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1362842"	171.137976	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"137917"	171.137976	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"579664"	256.203326	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1046276"	86.072626	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"216364"	114.427742666667	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"652644"	171.137976	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1168582"	57.7175093333333	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"432944"	358.295223	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"795035"	528.425923	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1693920"	188.164523	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"337457"	179.6512495	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"728784"	264.7165995	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1484790"	94.5858995	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"399101"	363.250618	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"756818"	533.381318	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1606010"	193.119918	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"315679"	182.128947	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"709196"	267.194297	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1465565"	97.063597	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1053709"	65.0448233333333	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1258056"	203.164186	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"377967"	379.224558	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"741151"	549.355258	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1541388"	209.093858	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"302576"	190.115917	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"697192"	275.181267	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1457578"	105.050567	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"239621"	382.295226	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1216703"	212.164526	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1199495"	106.585901	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"195646"	385.23256	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"630833"	555.36326	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1134341"	215.10186	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"175082"	193.119918	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"615120"	278.185268	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1117775"	108.054568	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1400571"	72.3721373333333	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1432324"	217.143446	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"222384"	198.15294	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1509028"	231.19549	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"411592"	201.106888	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"770763"	286.172238	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1665875"	116.041538	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"253617"	404.277168	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1232529"	234.146468	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1716308"	234.169993	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1182028"	79.6994513333333	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1654477"	239.125388	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"160245"	417.18044	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"599805"	587.31114	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1093067"	247.04974	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"154624"	209.093858	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"591631"	294.159208	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1073955"	124.028508	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1107165"	249.064292	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1345737"	249.151907	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1018643"	253.191076	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1531301"	254.184708	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"999936"	127.099176	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1592254"	255.099328	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1421194"	285.130838	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1155855"	147.612451	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1707599"	302.157385	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1641062"	307.11278	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1582180"	323.08672	"C18202"	"8-Methyl-6-nonenoic acid"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"802094"	559.6257	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M"	0
"975140"	540.60731	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-H2O-H"	-19.01839
"64840"	372.076524	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M-3H"	-3.021828
"516079"	558.618424	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M-3H"	-3.021828
"894975"	185.534624	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-3H"	-3.021828
"14643"	558.618424	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M-2H"	-2.014552
"455179"	838.431274	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M-2H"	-2.014552
"826539"	278.805574	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-2H"	-2.014552
"88718"	1118.244124	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M-H"	-1.007276
"529372"	1677.869824	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M-H"	-1.007276
"906079"	558.618424	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-H"	-1.007276
"54986"	1135.270671	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M-2H+NH4"	16.019271
"498919"	1694.896371	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M-2H+NH4"	16.019271
"876720"	575.644971	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-2H+NH4"	16.019271
"41338"	1140.226066	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M-2H+Na"	20.974666
"485762"	1699.851766	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M-2H+Na"	20.974666
"860887"	580.600366	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-2H+Na"	20.974666
"1630423"	580.600366	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Na-2H"	20.974666
"101487"	576.606763	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M-H+Cl"	33.962126
"540316"	856.419613	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M-H+Cl"	33.962126
"932377"	296.793913	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-H+Cl"	33.962126
"275308"	1154.220802	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+Cl"	34.969402
"669915"	1713.846502	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+Cl"	34.969402
"1281225"	594.595102	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Cl"	34.969402
"18311"	1156.200006	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M-2H+K"	36.948606
"461152"	1715.825706	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M-2H+K"	36.948606
"838952"	596.574306	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-2H+K"	36.948606
"1562441"	596.574306	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+K-2H"	36.948606
"948138"	604.623894	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-H+HCOOH"	44.998194
"369634"	1164.249601	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+HCOOH-H"	44.998201
"349144"	1178.265251	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+Hac-H"	59.013851
"1500163"	618.639551	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Hac-H"	59.013851
"961140"	626.605851	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-H+NaCOOH"	66.980151
"111623"	594.595102	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+2Cl"	69.938804
"553254"	874.407952	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+2Cl"	69.938804
"1024602"	314.782252	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2Cl"	69.938804
"1253308"	638.544585	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Br"	78.918885
"1311382"	640.600572	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Cl+HCOOH"	80.974872
"1324505"	662.582529	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Cl+NaCOOH"	102.956829
"919937"	672.611286	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M-H+CF3COOH"	112.985586
"1289356"	708.587964	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Cl+CF3COOH"	148.962264
"1370433"	524.613024	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H-2H2O"	-35.012676
"1382765"	542.623	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H-H2O"	-17.0027
"282917"	1120.258676	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+H"	1.007276
"677854"	1679.884376	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+H"	1.007276
"1358578"	560.632976	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H"	1.007276
"136934"	560.632976	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+2H"	2.014552
"572119"	840.445826	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+2H"	2.014552
"1045292"	280.820126	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2H"	2.014552
"209912"	374.091076	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+3H"	3.021828
"647650"	560.632976	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+3H"	3.021828
"1169781"	187.549176	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+3H"	3.021828
"431960"	1137.285223	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+NH4"	18.033823
"791863"	1696.910923	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+NH4"	18.033823
"1686010"	577.659523	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+NH4"	18.033823
"335383"	569.1462495	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+H+NH4"	19.041099
"727804"	848.9590995	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+H+NH4"	19.041099
"1480164"	289.3333995	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H+NH4"	19.041099
"402493"	1142.240618	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+Na"	22.989218
"757292"	1701.866318	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+Na"	22.989218
"1605390"	582.614918	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Na"	22.989218
"315424"	571.623947	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+H+Na"	23.996494
"707724"	851.436797	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+H+Na"	23.996494
"1462756"	291.811097	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H+Na"	23.996494
"1053090"	194.87649	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2H+Na"	25.00377
"1257440"	592.659186	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+CH3OH+H"	33.033486
"377716"	1158.214558	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+K"	38.963158
"741625"	1717.840258	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+K"	38.963158
"1540764"	598.588858	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+K"	38.963158
"299403"	579.610917	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+H+K"	39.970434
"692067"	859.423767	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+H+K"	39.970434
"1457688"	299.798067	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H+K"	39.970434
"241917"	1161.285226	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+ACN+H"	42.033826
"1216813"	601.659526	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+ACN+H"	42.033826
"1200698"	301.333401	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+ACN+2H"	43.041102
"195756"	1164.22256	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+2Na-H"	44.97116
"633131"	1723.84826	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+2Na-H"	44.97116
"1134451"	604.59686	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2Na-H"	44.97116
"179928"	582.614918	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+2Na"	45.978436
"614745"	862.427768	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+2Na"	45.978436
"1117520"	302.802068	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2Na"	45.978436
"1400073"	202.203804	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H+2Na"	46.985712
"1431705"	606.638446	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H+HCOOH"	47.012746
"221036"	587.64794	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+3H2O+2H"	56.04448
"1508977"	620.69049	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+IsoProp+H"	61.06479
"412067"	590.601888	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+Na+K"	61.952376
"771603"	870.414738	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+Na+K"	61.952376
"1665742"	310.789038	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Na+K"	61.952376
"253363"	1183.267168	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+ACN+Na"	64.015768
"1232639"	623.641468	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+ACN+Na"	64.015768
"1715689"	623.664993	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+NH4+HCOOH"	64.039293
"1183231"	209.531118	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+3Na"	68.967654
"1655680"	628.620388	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Na+HCOOH"	68.994688
"160355"	1196.17044	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+2K-H"	76.91904
"603196"	1755.79614	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+2K-H"	76.91904
"1095365"	636.54474	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2K-H"	76.91904
"152183"	598.588858	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"2M+2K"	77.926316
"590648"	878.401708	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"3M+2K"	77.926316
"1077346"	318.776008	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2K"	77.926316
"1108370"	638.559292	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2K+H"	78.933592
"1344754"	638.646907	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+DMSO+H"	79.021207
"1015473"	642.686076	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2ACN+H"	83.060376
"1530318"	643.679708	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+IsoProp+Na+H"	84.054008
"1003205"	321.846676	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+2ACN+2H"	84.067652
"1598925"	644.594328	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+K+HCOOH"	84.968628
"1424584"	674.625838	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+H+CF3COOH"	115.000138
"1155965"	342.359951	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+3ACN+2H"	125.094202
"1701149"	691.652385	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+NH4+CF3COOH"	132.026685
"1646640"	696.60778	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+Na+CF3COOH"	136.98208
"1582290"	712.58172	"C18203"	"22445-Pentabromodiphenyl ether;PBDE 99;BDE 99"	"C12H5Br5O"	"559.6257"	"M+K+CF3COOH"	152.95602
"806095"	481.7152	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M"	0
"976347"	462.69681	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-H2O-H"	-19.01839
"64222"	320.136190666667	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M-3H"	-3.021828
"518220"	480.707924	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M-3H"	-3.021828
"893991"	159.564457333333	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-3H"	-3.021828
"15200"	480.707924	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M-2H"	-2.014552
"455674"	721.565524	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M-2H"	-2.014552
"832696"	239.850324	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-2H"	-2.014552
"92108"	962.423124	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M-H"	-1.007276
"534113"	1444.138324	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M-H"	-1.007276
"902910"	480.707924	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-H"	-1.007276
"58376"	979.449671	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M-2H+NH4"	16.019271
"500854"	1461.164871	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M-2H+NH4"	16.019271
"879262"	497.734471	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-2H+NH4"	16.019271
"41448"	984.405066	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M-2H+Na"	20.974666
"487011"	1466.120266	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M-2H+Na"	20.974666
"863184"	502.689866	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-2H+Na"	20.974666
"1633451"	502.689866	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Na-2H"	20.974666
"104877"	498.696263	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M-H+Cl"	33.962126
"548568"	739.553863	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M-H+Cl"	33.962126
"933579"	257.838663	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-H+Cl"	33.962126
"274326"	998.399802	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+Cl"	34.969402
"668932"	1480.115002	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+Cl"	34.969402
"1281333"	516.684602	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Cl"	34.969402
"20608"	1000.379006	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M-2H+K"	36.948606
"460169"	1482.094206	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M-2H+K"	36.948606
"841250"	518.663806	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-2H+K"	36.948606
"1565829"	518.663806	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+K-2H"	36.948606
"951527"	526.713394	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-H+HCOOH"	44.998194
"369744"	1008.428601	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+HCOOH-H"	44.998201
"350348"	1022.444251	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+Hac-H"	59.013851
"1505740"	540.729051	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Hac-H"	59.013851
"959913"	548.695351	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-H+NaCOOH"	66.980151
"111735"	516.684602	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+2Cl"	69.938804
"554095"	757.542202	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+2Cl"	69.938804
"1022647"	275.827002	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2Cl"	69.938804
"1253418"	560.634085	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Br"	78.918885
"1313680"	562.690072	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Cl+HCOOH"	80.974872
"1327896"	584.672029	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Cl+NaCOOH"	102.956829
"916767"	594.700786	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M-H+CF3COOH"	112.985586
"1291653"	630.677464	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Cl+CF3COOH"	148.962264
"1370543"	446.702524	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H-2H2O"	-35.012676
"1384761"	464.7125	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H-H2O"	-17.0027
"283184"	964.437676	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+H"	1.007276
"677964"	1446.152876	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+H"	1.007276
"1356501"	482.722476	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H"	1.007276
"138137"	482.722476	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+2H"	2.014552
"573322"	723.580076	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+2H"	2.014552
"1047589"	241.864876	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2H"	2.014552
"211115"	322.150742666667	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+3H"	3.021828
"651769"	482.722476	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+3H"	3.021828
"1168801"	161.579009333333	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+3H"	3.021828
"436444"	981.464223	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+NH4"	18.033823
"793066"	1463.179423	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+NH4"	18.033823
"1691587"	499.749023	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+NH4"	18.033823
"335857"	491.2357495	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+H+NH4"	19.041099
"731195"	732.0933495	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+H+NH4"	19.041099
"1483918"	250.3781495	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H+NH4"	19.041099
"403696"	986.419618	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+Na"	22.989218
"756309"	1468.134818	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+Na"	22.989218
"1604771"	504.704418	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Na"	22.989218
"315539"	493.713447	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+H+Na"	23.996494
"709051"	734.571047	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+H+Na"	23.996494
"1463601"	252.855847	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H+Na"	23.996494
"1055025"	168.906323333333	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2H+Na"	25.00377
"1259982"	514.748686	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+CH3OH+H"	33.033486
"377708"	1002.393558	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+K"	38.963158
"742465"	1484.108758	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+K"	38.963158
"1542334"	520.678358	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+K"	38.963158
"298615"	501.700417	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+H+K"	39.970434
"691429"	742.558017	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+H+K"	39.970434
"1456703"	260.842817	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H+K"	39.970434
"240934"	1005.464226	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+ACN+H"	42.033826
"1213641"	523.749026	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+ACN+H"	42.033826
"1199715"	262.378151	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+ACN+2H"	43.041102
"192586"	1008.40156	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+2Na-H"	44.97116
"633240"	1490.11676	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+2Na-H"	44.97116
"1141122"	526.68636	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2Na-H"	44.97116
"180038"	504.704418	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+2Na"	45.978436
"615592"	745.562018	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+2Na"	45.978436
"1118364"	263.846818	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2Na"	45.978436
"1401888"	176.233637333333	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H+2Na"	46.985712
"1431940"	528.727946	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H+HCOOH"	47.012746
"221878"	509.73744	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+3H2O+2H"	56.04448
"1510306"	542.77999	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+IsoProp+H"	61.06479
"412907"	512.691388	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+Na+K"	61.952376
"774994"	753.548988	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+Na+K"	61.952376
"1666463"	271.833788	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Na+K"	61.952376
"252253"	1027.446168	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+ACN+Na"	64.015768
"1226663"	545.730968	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+ACN+Na"	64.015768
"1713360"	545.754493	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+NH4+HCOOH"	64.039293
"1178750"	183.560951333333	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+3Na"	68.967654
"1650429"	550.709888	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Na+HCOOH"	68.994688
"157534"	1040.34944	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+2K-H"	76.91904
"600025"	1522.06464	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+2K-H"	76.91904
"1092192"	558.63424	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2K-H"	76.91904
"147915"	520.678358	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"2M+2K"	77.926316
"586383"	761.535958	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"3M+2K"	77.926316
"1079645"	279.820758	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2K"	77.926316
"1112853"	560.648792	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2K+H"	78.933592
"1340491"	560.736407	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+DMSO+H"	79.021207
"1014489"	564.775576	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2ACN+H"	83.060376
"1527147"	565.769208	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+IsoProp+Na+H"	84.054008
"993595"	282.891426	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+2ACN+2H"	84.067652
"1595754"	566.683828	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+K+HCOOH"	84.968628
"1429069"	596.715338	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+H+CF3COOH"	115.000138
"1159356"	303.404701	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+3ACN+2H"	125.094202
"1703446"	613.741885	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+NH4+CF3COOH"	132.026685
"1646750"	618.69728	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+Na+CF3COOH"	136.98208
"1582400"	634.67122	"C18204"	"2245-Tetrabromodiphenyl ether;PBDE 49;BDE 49"	"C12H6Br4O"	"481.7152"	"M+K+CF3COOH"	152.95602
"802924"	481.7152	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M"	0
"975725"	462.69681	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-H2O-H"	-19.01839
"65060"	320.136190666667	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M-3H"	-3.021828
"509730"	480.707924	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M-3H"	-3.021828
"895073"	159.564457333333	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-3H"	-3.021828
"14870"	480.707924	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M-2H"	-2.014552
"453331"	721.565524	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M-2H"	-2.014552
"831133"	239.850324	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-2H"	-2.014552
"93191"	962.423124	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M-H"	-1.007276
"531777"	1444.138324	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M-H"	-1.007276
"904109"	480.707924	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-H"	-1.007276
"55202"	979.449671	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M-2H+NH4"	16.019271
"494034"	1461.164871	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M-2H+NH4"	16.019271
"872566"	497.734471	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-2H+NH4"	16.019271
"39372"	984.405066	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M-2H+Na"	20.974666
"476747"	1466.120266	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M-2H+Na"	20.974666
"860016"	502.689866	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-2H+Na"	20.974666
"1627362"	502.689866	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Na-2H"	20.974666
"101705"	498.696263	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M-H+Cl"	33.962126
"539443"	739.553863	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M-H+Cl"	33.962126
"931137"	257.838663	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-H+Cl"	33.962126
"270058"	998.399802	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+Cl"	34.969402
"664668"	1480.115002	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+Cl"	34.969402
"1275975"	516.684602	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Cl"	34.969402
"21811"	1000.379006	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M-2H+K"	36.948606
"460280"	1482.094206	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M-2H+K"	36.948606
"835894"	518.663806	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-2H+K"	36.948606
"1562661"	518.663806	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+K-2H"	36.948606
"948358"	526.713394	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-H+HCOOH"	44.998194
"373135"	1008.428601	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+HCOOH-H"	44.998201
"358112"	1022.444251	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+Hac-H"	59.013851
"1503665"	540.729051	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Hac-H"	59.013851
"959175"	548.695351	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-H+NaCOOH"	66.980151
"112459"	516.684602	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+2Cl"	69.938804
"552382"	757.542202	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+2Cl"	69.938804
"1023000"	275.827002	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2Cl"	69.938804
"1251341"	560.634085	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Br"	78.918885
"1313790"	562.690072	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Cl+HCOOH"	80.974872
"1325090"	584.672029	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Cl+NaCOOH"	102.956829
"920159"	594.700786	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M-H+CF3COOH"	112.985586
"1294680"	630.677464	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Cl+CF3COOH"	148.962264
"1368100"	446.702524	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H-2H2O"	-35.012676
"1383898"	464.7125	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H-H2O"	-17.0027
"283826"	964.437676	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+H"	1.007276
"677344"	1446.152876	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+H"	1.007276
"1354423"	482.722476	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H"	1.007276
"132780"	482.722476	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+2H"	2.014552
"573433"	723.580076	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+2H"	2.014552
"1050980"	241.864876	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2H"	2.014552
"216694"	322.150742666667	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+3H"	3.021828
"652974"	482.722476	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+3H"	3.021828
"1166724"	161.579009333333	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+3H"	3.021828
"427811"	981.464223	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+NH4"	18.033823
"793177"	1463.179423	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+NH4"	18.033823
"1692427"	499.749023	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+NH4"	18.033823
"336697"	491.2357495	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+H+NH4"	19.041099
"730212"	732.0933495	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+H+NH4"	19.041099
"1481844"	250.3781495	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H+NH4"	19.041099
"401619"	986.419618	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+Na"	22.989218
"756418"	1468.134818	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+Na"	22.989218
"1606338"	504.704418	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Na"	22.989218
"315285"	493.713447	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+H+Na"	23.996494
"709527"	734.571047	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+H+Na"	23.996494
"1463707"	252.855847	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H+Na"	23.996494
"1056229"	168.906323333333	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2H+Na"	25.00377
"1259726"	514.748686	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+CH3OH+H"	33.033486
"379395"	1002.393558	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+K"	38.963158
"741119"	1484.108758	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+K"	38.963158
"1540095"	520.678358	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+K"	38.963158
"299992"	501.700417	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+H+K"	39.970434
"693143"	742.558017	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+H+K"	39.970434
"1453531"	260.842817	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H+K"	39.970434
"243229"	1005.464226	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+ACN+H"	42.033826
"1216302"	523.749026	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+ACN+H"	42.033826
"1199825"	262.378151	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+ACN+2H"	43.041102
"192330"	1008.40156	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+2Na-H"	44.97116
"633714"	1490.11676	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+2Na-H"	44.97116
"1141232"	526.68636	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2Na-H"	44.97116
"180512"	504.704418	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+2Na"	45.978436
"616429"	745.562018	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+2Na"	45.978436
"1119570"	263.846818	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2Na"	45.978436
"1402001"	176.233637333333	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H+2Na"	46.985712
"1432658"	528.727946	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H+HCOOH"	47.012746
"222716"	509.73744	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+3H2O+2H"	56.04448
"1511873"	542.77999	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+IsoProp+H"	61.06479
"413016"	512.691388	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+Na+K"	61.952376
"773281"	753.548988	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+Na+K"	61.952376
"1667061"	271.833788	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Na+K"	61.952376
"253580"	1027.446168	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+ACN+Na"	64.015768
"1227018"	545.730968	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+ACN+Na"	64.015768
"1714079"	545.754493	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+NH4+HCOOH"	64.039293
"1180040"	183.560951333333	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+3Na"	68.967654
"1650785"	550.709888	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Na+HCOOH"	68.994688
"158867"	1040.34944	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+2K-H"	76.91904
"607789"	1522.06464	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+2K-H"	76.91904
"1092302"	558.63424	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2K-H"	76.91904
"149118"	520.678358	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"2M+2K"	77.926316
"586493"	761.535958	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"3M+2K"	77.926316
"1075382"	279.820758	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2K"	77.926316
"1114302"	560.648792	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2K+H"	78.933592
"1343881"	560.736407	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+DMSO+H"	79.021207
"1011319"	564.775576	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2ACN+H"	83.060376
"1530538"	565.769208	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+IsoProp+Na+H"	84.054008
"994798"	282.891426	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+2ACN+2H"	84.067652
"1595864"	566.683828	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+K+HCOOH"	84.968628
"1420430"	596.715338	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+H+CF3COOH"	115.000138
"1161653"	303.404701	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+3ACN+2H"	125.094202
"1709021"	613.741885	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+NH4+CF3COOH"	132.026685
"1646860"	618.69728	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+Na+CF3COOH"	136.98208
"1573762"	634.67122	"C18205"	"2244-Tetrabromodiphenyl ether;PBDE 47;BDE 47"	"C12H6Br4O"	"481.7152"	"M+K+CF3COOH"	152.95602
"803034"	212.1776	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M"	0
"974742"	193.15921	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-H2O-H"	-19.01839
"64807"	140.444457333333	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M-3H"	-3.021828
"508747"	211.170324	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M-3H"	-3.021828
"894212"	69.7185906666667	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-3H"	-3.021828
"12786"	211.170324	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M-2H"	-2.014552
"454536"	317.259124	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M-2H"	-2.014552
"831242"	105.081524	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-2H"	-2.014552
"92328"	423.347924	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M-H"	-1.007276
"529700"	635.525524	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M-H"	-1.007276
"902035"	211.170324	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-H"	-1.007276
"54222"	440.374471	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M-2H+NH4"	16.019271
"493781"	652.552071	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M-2H+NH4"	16.019271
"873769"	228.196871	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-2H+NH4"	16.019271
"38389"	445.329866	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M-2H+Na"	20.974666
"480137"	657.507466	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M-2H+Na"	20.974666
"857940"	233.152266	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-2H+Na"	20.974666
"1624192"	233.152266	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Na-2H"	20.974666
"95983"	229.158663	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M-H+Cl"	33.962126
"534362"	335.247463	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M-H+Cl"	33.962126
"932707"	123.069863	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-H+Cl"	33.962126
"276731"	459.324602	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+Cl"	34.969402
"663685"	671.502202	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+Cl"	34.969402
"1274992"	247.147002	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Cl"	34.969402
"20828"	461.303806	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M-2H+K"	36.948606
"457109"	673.481406	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M-2H+K"	36.948606
"839284"	249.126206	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-2H+K"	36.948606
"1562771"	249.126206	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+K-2H"	36.948606
"948468"	257.175794	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-H+HCOOH"	44.998194
"372152"	469.353401	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+HCOOH-H"	44.998201
"352755"	483.369051	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+Hac-H"	59.013851
"1503775"	271.191451	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Hac-H"	59.013851
"963660"	279.157751	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-H+NaCOOH"	66.980151
"114756"	247.147002	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+2Cl"	69.938804
"552124"	353.235802	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+2Cl"	69.938804
"1023110"	141.058202	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2Cl"	69.938804
"1251451"	291.096485	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Br"	78.918885
"1312807"	293.152472	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Cl+HCOOH"	80.974872
"1327023"	315.134429	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Cl+NaCOOH"	102.956829
"922456"	325.163186	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M-H+CF3COOH"	112.985586
"1289321"	361.139864	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Cl+CF3COOH"	148.962264
"1367763"	177.164924	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H-2H2O"	-35.012676
"1387167"	195.1749	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H-H2O"	-17.0027
"282854"	425.362476	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+H"	1.007276
"676602"	637.540076	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+H"	1.007276
"1355628"	213.184876	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H"	1.007276
"132890"	213.184876	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+2H"	2.014552
"577918"	319.273676	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+2H"	2.014552
"1048903"	107.096076	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2H"	2.014552
"213524"	142.459009333333	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+3H"	3.021828
"649803"	213.184876	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+3H"	3.021828
"1166834"	71.7331426666667	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+3H"	3.021828
"430105"	442.389023	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+NH4"	18.033823
"794381"	654.566623	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+NH4"	18.033823
"1689621"	230.211423	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+NH4"	18.033823
"336807"	221.6981495	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+H+NH4"	19.041099
"726675"	327.7869495	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+H+NH4"	19.041099
"1480132"	115.6093495	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H+NH4"	19.041099
"395168"	447.344418	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+Na"	22.989218
"756164"	659.522018	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+Na"	22.989218
"1603167"	235.166818	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Na"	22.989218
"314459"	224.175847	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+H+Na"	23.996494
"708178"	330.264647	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+H+Na"	23.996494
"1463453"	118.087047	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H+Na"	23.996494
"1053423"	79.0604566666667	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2H+Na"	25.00377
"1257892"	245.211086	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+CH3OH+H"	33.033486
"377601"	463.318358	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+K"	38.963158
"739527"	675.495958	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+K"	38.963158
"1540202"	251.140758	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+K"	38.963158
"298885"	232.162817	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+H+K"	39.970434
"691794"	338.251617	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+H+K"	39.970434
"1453641"	126.074017	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H+K"	39.970434
"245525"	466.389026	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+ACN+H"	42.033826
"1214225"	254.211426	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+ACN+H"	42.033826
"1198111"	127.609351	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+ACN+2H"	43.041102
"193533"	469.32636	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+2Na-H"	44.97116
"634188"	681.50396	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+2Na-H"	44.97116
"1141342"	257.14876	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2Na-H"	44.97116
"180258"	235.166818	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+2Na"	45.978436
"616169"	341.255618	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+2Na"	45.978436
"1118583"	129.078018	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2Na"	45.978436
"1400288"	86.3877706666667	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H+2Na"	46.985712
"1431672"	259.190346	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H+HCOOH"	47.012746
"221734"	240.19984	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+3H2O+2H"	56.04448
"1510524"	273.24239	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+IsoProp+H"	61.06479
"408829"	243.153788	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+Na+K"	61.952376
"769939"	349.242588	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+Na+K"	61.952376
"1665602"	137.064988	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Na+K"	61.952376
"251565"	488.370968	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+ACN+Na"	64.015768
"1226395"	276.193368	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+ACN+Na"	64.015768
"1713096"	276.216893	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+NH4+HCOOH"	64.039293
"1179177"	93.7150846666667	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+3Na"	68.967654
"1650531"	281.172288	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Na+HCOOH"	68.994688
"158248"	501.27424	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+2K-H"	76.91904
"606806"	713.45184	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+2K-H"	76.91904
"1094600"	289.09664	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2K-H"	76.91904
"145949"	251.140758	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"2M+2K"	77.926316
"588791"	357.229558	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"3M+2K"	77.926316
"1077679"	145.051958	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2K"	77.926316
"1114167"	291.111192	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2K+H"	78.933592
"1346178"	291.198807	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+DMSO+H"	79.021207
"1011429"	295.237976	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2ACN+H"	83.060376
"1531741"	296.231608	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+IsoProp+Na+H"	84.054008
"996001"	148.122626	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+2ACN+2H"	84.067652
"1595974"	297.146228	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+K+HCOOH"	84.968628
"1420540"	327.177738	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+H+CF3COOH"	115.000138
"1160670"	168.635901	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+3ACN+2H"	125.094202
"1709131"	344.204285	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+NH4+CF3COOH"	132.026685
"1646970"	349.15968	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+Na+CF3COOH"	136.98208
"1573872"	365.13362	"C18206"	"cis-11-Methyl-2-dodecenoic acid"	"C13H24O2"	"212.1776"	"M+K+CF3COOH"	152.95602
"809708"	272.2504	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M"	0
"986526"	253.23201	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"74772"	180.492990666667	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"513239"	271.243124	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"894322"	89.7428573333333	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"13627"	271.243124	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"453916"	407.368324	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"823698"	135.117924	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"85876"	543.493524	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"527621"	815.743924	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"906516"	271.243124	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"50316"	560.520071	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"491702"	832.770471	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"869503"	288.269671	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"36309"	565.475466	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"479159"	837.725866	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"856961"	293.225066	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1630870"	293.225066	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"100838"	289.231463	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"534930"	425.356663	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"927833"	153.106263	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"268577"	579.470202	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"663796"	851.720602	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1276199"	307.219802	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"20943"	581.449406	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"464878"	853.699806	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"841587"	309.199006	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1566169"	309.199006	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"954051"	317.248594	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"364612"	589.499001	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"346671"	603.514651	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1493315"	331.264251	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960126"	339.230551	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"113780"	307.219802	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"556623"	443.345002	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1027610"	171.094602	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1249374"	351.169285	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1307448"	353.225272	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1322026"	375.207229	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"913085"	385.235986	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1289790"	421.212664	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1381944"	237.237724	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1396032"	255.2477	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"297425"	545.508076	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"690328"	817.758476	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1363395"	273.257676	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"131910"	273.257676	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"571469"	409.382876	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1044641"	137.132476	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"207074"	182.507542666667	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"649913"	273.257676	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1170225"	91.7574093333333	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"432404"	562.534623	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"796680"	834.785023	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1686452"	290.284223	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"333638"	281.7709495	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"727150"	417.8961495	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1480974"	145.6457495	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"395277"	567.490018	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"754939"	839.740418	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1603281"	295.239618	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"315503"	284.248647	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"707559"	420.373847	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1462350"	148.123447	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1053410"	99.0847233333333	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1257758"	305.283886	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"378531"	583.463958	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"738748"	855.714358	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1544866"	311.213558	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"304957"	292.235617	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"699932"	428.360817	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1450837"	156.110417	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"242362"	586.534626	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1218356"	314.284226	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1195313"	157.645751	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"190003"	589.47196	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"630658"	861.72236	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1134166"	317.22156	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"176002"	295.239618	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"613372"	431.364818	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1116513"	159.114418	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1399300"	106.412037333333	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1430689"	319.263146	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"225497"	300.27264	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1512466"	333.31519	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"413246"	303.226588	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"770594"	439.351788	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1668385"	167.101388	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"253443"	608.516568	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1228706"	336.266168	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1716500"	336.289693	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1181854"	113.739351333333	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1656123"	341.245088	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"162257"	621.41984	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"603639"	893.67024	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1089243"	349.16944	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"146060"	311.213558	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"587808"	447.338758	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1075602"	175.088358	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1108810"	351.183992	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1345196"	351.271607	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1012632"	355.310776	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1528572"	356.304408	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1004620"	178.159026	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1593898"	357.219028	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1417372"	387.250538	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1152036"	198.672301	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1700495"	404.277085	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1639428"	409.23248	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1582734"	425.20642	"C18211"	"Isopimara-715-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"809818"	566.1547	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M"	0
"986634"	547.13631	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-H2O-H"	-19.01839
"73786"	376.429190666667	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M-3H"	-3.021828
"512254"	565.147424	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M-3H"	-3.021828
"891149"	187.710957333333	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-3H"	-3.021828
"9724"	565.147424	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M-2H"	-2.014552
"452567"	848.224774	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M-2H"	-2.014552
"823807"	282.070074	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-2H"	-2.014552
"85986"	1131.302124	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M-H"	-1.007276
"525544"	1697.456824	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M-H"	-1.007276
"902252"	565.147424	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-H"	-1.007276
"49816"	1148.328671	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M-2H+NH4"	16.019271
"491812"	1714.483371	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M-2H+NH4"	16.019271
"867787"	582.173971	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-2H+NH4"	16.019271
"32765"	1153.284066	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M-2H+Na"	20.974666
"479269"	1719.438766	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M-2H+Na"	20.974666
"857071"	587.129366	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-2H+Na"	20.974666
"1627701"	587.129366	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Na-2H"	20.974666
"99855"	583.135763	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M-H+Cl"	33.962126
"536133"	866.213113	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M-H+Cl"	33.962126
"927253"	300.058413	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-H+Cl"	33.962126
"268563"	1167.278802	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+Cl"	34.969402
"663906"	1733.433502	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+Cl"	34.969402
"1278496"	601.124102	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Cl"	34.969402
"21053"	1169.258006	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M-2H+K"	36.948606
"461708"	1735.412706	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M-2H+K"	36.948606
"840604"	603.103306	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-2H+K"	36.948606
"1566279"	603.103306	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+K-2H"	36.948606
"944320"	611.152894	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-H+HCOOH"	44.998194
"364723"	1177.307601	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+HCOOH-H"	44.998201
"345888"	1191.323251	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+Hac-H"	59.013851
"1493300"	625.168551	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Hac-H"	59.013851
"959505"	633.134851	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-H+NaCOOH"	66.980151
"112797"	601.124102	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+2Cl"	69.938804
"556732"	884.201452	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+2Cl"	69.938804
"1027720"	318.046752	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2Cl"	69.938804
"1246204"	645.073585	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Br"	78.918885
"1309745"	647.129572	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Cl+HCOOH"	80.974872
"1323960"	669.111529	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Cl+NaCOOH"	102.956829
"913559"	679.140286	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M-H+CF3COOH"	112.985586
"1290630"	715.116964	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Cl+CF3COOH"	148.962264
"1379012"	531.142024	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H-2H2O"	-35.012676
"1394686"	549.152	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H-H2O"	-17.0027
"296928"	1133.316676	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+H"	1.007276
"689710"	1699.471376	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+H"	1.007276
"1363141"	567.161976	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H"	1.007276
"130927"	567.161976	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+2H"	2.014552
"570485"	850.239326	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+2H"	2.014552
"1041470"	284.084626	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2H"	2.014552
"207548"	378.443742666667	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+3H"	3.021828
"650023"	567.161976	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+3H"	3.021828
"1169242"	189.725509333333	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+3H"	3.021828
"433608"	1150.343223	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+NH4"	18.033823
"794601"	1716.497923	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+NH4"	18.033823
"1688748"	584.188523	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+NH4"	18.033823
"333748"	575.6752495	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+H+NH4"	19.041099
"729448"	858.7525995	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+H+NH4"	19.041099
"1482177"	292.5978995	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H+NH4"	19.041099
"396481"	1155.298618	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+Na"	22.989218
"757478"	1721.453318	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+Na"	22.989218
"1603754"	589.143918	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Na"	22.989218
"318893"	578.152947	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+H+Na"	23.996494
"708277"	861.230297	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+H+Na"	23.996494
"1462220"	295.075597	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H+Na"	23.996494
"1053158"	197.052823333333	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2H+Na"	25.00377
"1257872"	599.188186	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+CH3OH+H"	33.033486
"379004"	1171.272558	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+K"	38.963158
"739633"	1737.427258	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+K"	38.963158
"1545340"	605.117858	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+K"	38.963158
"305067"	586.139917	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+H+K"	39.970434
"701135"	869.217267	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+H+K"	39.970434
"1450947"	303.062567	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H+K"	39.970434
"242472"	1174.343226	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+ACN+H"	42.033826
"1216278"	608.188526	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+ACN+H"	42.033826
"1199066"	304.597901	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+ACN+2H"	43.041102
"189748"	1177.28056	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+2Na-H"	44.97116
"629674"	1743.43526	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+2Na-H"	44.97116
"1132085"	611.12586	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2Na-H"	44.97116
"177205"	589.143918	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+2Na"	45.978436
"614574"	872.221268	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+2Na"	45.978436
"1117350"	306.066568	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2Na"	45.978436
"1399166"	204.380137333333	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H+2Na"	46.985712
"1431891"	613.167446	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H+HCOOH"	47.012746
"224514"	594.17694	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+3H2O+2H"	56.04448
"1511847"	627.21949	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+IsoProp+H"	61.06479
"413356"	597.130888	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+Na+K"	61.952376
"770704"	880.208238	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+Na+K"	61.952376
"1668495"	314.053538	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Na+K"	61.952376
"252456"	1196.325168	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+ACN+Na"	64.015768
"1229544"	630.170468	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+ACN+Na"	64.015768
"1716609"	630.193993	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+NH4+HCOOH"	64.039293
"1184151"	211.707451333333	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+3Na"	68.967654
"1654046"	635.149388	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Na+HCOOH"	68.994688
"163094"	1209.22844	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+2K-H"	76.91904
"601562"	1775.38314	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+2K-H"	76.91904
"1089353"	643.07374	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2K-H"	76.91904
"146170"	605.117858	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"2M+2K"	77.926316
"586824"	888.195208	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"3M+2K"	77.926316
"1074619"	322.040508	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2K"	77.926316
"1106734"	645.088292	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2K+H"	78.933592
"1344213"	645.175907	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+DMSO+H"	79.021207
"1011649"	649.215076	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2ACN+H"	83.060376
"1528680"	650.208708	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+IsoProp+Na+H"	84.054008
"1004487"	325.111176	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+2ACN+2H"	84.067652
"1592915"	651.123328	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+K+HCOOH"	84.968628
"1416753"	681.154838	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+H+CF3COOH"	115.000138
"1152146"	345.624451	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+3ACN+2H"	125.094202
"1700605"	698.181385	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+NH4+CF3COOH"	132.026685
"1639538"	703.13678	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+Na+CF3COOH"	136.98208
"1582844"	719.11072	"C18212"	"Jamaicamide A"	"C27H36BrClN2O4"	"566.1547"	"M+K+CF3COOH"	152.95602
"813208"	488.2442	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M"	0
"988932"	469.22581	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-H2O-H"	-19.01839
"76086"	324.488857333333	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M-3H"	-3.021828
"515646"	487.236924	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M-3H"	-3.021828
"894541"	161.740790666667	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-3H"	-3.021828
"12019"	487.236924	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M-2H"	-2.014552
"453770"	731.359024	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M-2H"	-2.014552
"827196"	243.114824	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-2H"	-2.014552
"91560"	975.481124	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M-H"	-1.007276
"532214"	1463.725324	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M-H"	-1.007276
"905642"	487.236924	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-H"	-1.007276
"50537"	992.507671	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M-2H+NH4"	16.019271
"492286"	1480.751871	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M-2H+NH4"	16.019271
"867536"	504.263471	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-2H+NH4"	16.019271
"32637"	997.463066	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M-2H+Na"	20.974666
"480472"	1485.707266	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M-2H+Na"	20.974666
"858274"	509.218866	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-2H+Na"	20.974666
"1629999"	509.218866	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Na-2H"	20.974666
"106527"	505.225263	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M-H+Cl"	33.962126
"542805"	749.347363	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M-H+Cl"	33.962126
"936319"	261.103163	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-H+Cl"	33.962126
"271595"	1011.457802	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+Cl"	34.969402
"664016"	1499.702002	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+Cl"	34.969402
"1277513"	523.213602	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Cl"	34.969402
"21163"	1013.437006	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M-2H+K"	36.948606
"468379"	1501.681206	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M-2H+K"	36.948606
"839620"	525.192806	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-2H+K"	36.948606
"1566389"	525.192806	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+K-2H"	36.948606
"950991"	533.242394	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-H+HCOOH"	44.998194
"363740"	1021.486601	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+HCOOH-H"	44.998201
"349809"	1035.502251	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+Hac-H"	59.013851
"1494141"	547.258051	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Hac-H"	59.013851
"960343"	555.224351	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-H+NaCOOH"	66.980151
"118376"	523.213602	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+2Cl"	69.938804
"559031"	767.335702	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+2Cl"	69.938804
"1028923"	279.091502	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2Cl"	69.938804
"1248502"	567.163085	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Br"	78.918885
"1314230"	569.219072	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Cl+HCOOH"	80.974872
"1325163"	591.201029	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Cl+NaCOOH"	102.956829
"917315"	601.229786	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M-H+CF3COOH"	112.985586
"1291836"	637.206464	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Cl+CF3COOH"	148.962264
"1381916"	453.231524	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H-2H2O"	-35.012676
"1396746"	471.2415	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H-H2O"	-17.0027
"295582"	977.495676	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+H"	1.007276
"688367"	1465.739876	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+H"	1.007276
"1364345"	489.251476	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H"	1.007276
"133224"	489.251476	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+2H"	2.014552
"567680"	733.373576	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+2H"	2.014552
"1041216"	245.129376	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2H"	2.014552
"208024"	326.503409333333	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+3H"	3.021828
"655238"	489.251476	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+3H"	3.021828
"1172634"	163.755342666667	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+3H"	3.021828
"432624"	994.522223	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+NH4"	18.033823
"797994"	1482.766423	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+NH4"	18.033823
"1689950"	506.278023	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+NH4"	18.033823
"334586"	497.7647495	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+H+NH4"	19.041099
"726280"	741.8868495	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+H+NH4"	19.041099
"1480833"	253.6426495	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H+NH4"	19.041099
"397687"	999.477618	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+Na"	22.989218
"758684"	1487.721818	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+Na"	22.989218
"1606784"	511.233418	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Na"	22.989218
"319006"	500.242447	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+H+Na"	23.996494
"711424"	744.364547	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+H+Na"	23.996494
"1462452"	256.120347	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H+Na"	23.996494
"1053753"	171.082656666667	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2H+Na"	25.00377
"1258470"	521.277686	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+CH3OH+H"	33.033486
"378749"	1015.451558	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+K"	38.963158
"741932"	1503.695758	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+K"	38.963158
"1549461"	527.207358	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+K"	38.963158
"304449"	508.229417	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+H+K"	39.970434
"701245"	752.351517	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+H+K"	39.970434
"1456891"	264.107317	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H+K"	39.970434
"242582"	1018.522226	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+ACN+H"	42.033826
"1220761"	530.278026	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+ACN+H"	42.033826
"1202457"	265.642651	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+ACN+2H"	43.041102
"192776"	1021.45956	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+2Na-H"	44.97116
"632336"	1509.70376	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+2Na-H"	44.97116
"1134018"	533.21536	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2Na-H"	44.97116
"177315"	511.233418	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+2Na"	45.978436
"616876"	755.355518	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+2Na"	45.978436
"1119288"	267.111318	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2Na"	45.978436
"1399885"	178.409970666667	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H+2Na"	46.985712
"1430340"	535.256946	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H+HCOOH"	47.012746
"222802"	516.26644	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+3H2O+2H"	56.04448
"1514875"	549.30899	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+IsoProp+H"	61.06479
"413467"	519.220388	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+Na+K"	61.952376
"774464"	763.342488	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+Na+K"	61.952376
"1671887"	275.098288	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Na+K"	61.952376
"254028"	1040.504168	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+ACN+Na"	64.015768
"1230383"	552.259968	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+ACN+Na"	64.015768
"1720001"	552.283493	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+NH4+HCOOH"	64.039293
"1184261"	185.737284666667	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+3Na"	68.967654
"1656343"	557.238888	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Na+HCOOH"	68.994688
"167580"	1053.40744	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+2K-H"	76.91904
"608233"	1541.65164	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+2K-H"	76.91904
"1090558"	565.16324	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2K-H"	76.91904
"147375"	527.207358	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"2M+2K"	77.926316
"590215"	771.329458	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"3M+2K"	77.926316
"1078010"	283.085258	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2K"	77.926316
"1106846"	567.177792	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2K+H"	78.933592
"1344325"	567.265407	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+DMSO+H"	79.021207
"1017957"	571.304576	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2ACN+H"	83.060376
"1532073"	572.298208	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+IsoProp+Na+H"	84.054008
"1005549"	286.155926	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+2ACN+2H"	84.067652
"1599222"	573.212828	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+K+HCOOH"	84.968628
"1421967"	603.244338	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+H+CF3COOH"	115.000138
"1154444"	306.669201	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+3ACN+2H"	125.094202
"1702902"	620.270885	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+NH4+CF3COOH"	132.026685
"1639648"	625.22628	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+Na+CF3COOH"	136.98208
"1582954"	641.20022	"C18213"	"Jamaicamide B"	"C27H37ClN2O4"	"488.2442"	"M+K+CF3COOH"	152.95602
"813321"	490.2598	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M"	0
"989416"	471.24141	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-H2O-H"	-19.01839
"77291"	325.832590666667	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M-3H"	-3.021828
"518466"	489.252524	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M-3H"	-3.021828
"895016"	162.412657333333	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-3H"	-3.021828
"15048"	489.252524	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M-2H"	-2.014552
"455501"	734.382424	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M-2H"	-2.014552
"826211"	244.122624	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-2H"	-2.014552
"88390"	979.512324	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M-H"	-1.007276
"524671"	1469.772124	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M-H"	-1.007276
"903566"	489.252524	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-H"	-1.007276
"49189"	996.538871	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M-2H+NH4"	16.019271
"490209"	1486.798671	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M-2H+NH4"	16.019271
"866307"	506.279071	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-2H+NH4"	16.019271
"35910"	1001.494266	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M-2H+Na"	20.974666
"480582"	1491.754066	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M-2H+Na"	20.974666
"858384"	511.234466	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-2H+Na"	20.974666
"1630108"	511.234466	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Na-2H"	20.974666
"105544"	507.240863	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M-H+Cl"	33.962126
"542915"	752.370763	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M-H+Cl"	33.962126
"936429"	262.110963	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-H+Cl"	33.962126
"271705"	1015.489002	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+Cl"	34.969402
"667407"	1505.748802	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+Cl"	34.969402
"1280904"	525.229202	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Cl"	34.969402
"21273"	1017.468206	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M-2H+K"	36.948606
"468489"	1507.728006	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M-2H+K"	36.948606
"843010"	527.208406	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-2H+K"	36.948606
"1565405"	527.208406	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+K-2H"	36.948606
"954381"	535.257994	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-H+HCOOH"	44.998194
"367130"	1025.517801	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+HCOOH-H"	44.998201
"346639"	1039.533451	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+Hac-H"	59.013851
"1494739"	549.273651	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Hac-H"	59.013851
"959730"	557.239951	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-H+NaCOOH"	66.980151
"116301"	525.229202	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+2Cl"	69.938804
"559143"	770.359102	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+2Cl"	69.938804
"1031223"	280.099302	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2Cl"	69.938804
"1249705"	569.178685	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Br"	78.918885
"1314340"	571.234672	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Cl+HCOOH"	80.974872
"1325275"	593.216629	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Cl+NaCOOH"	102.956829
"917428"	603.245386	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M-H+CF3COOH"	112.985586
"1294136"	639.222064	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Cl+CF3COOH"	148.962264
"1381420"	455.247124	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H-2H2O"	-35.012676
"1396731"	473.2571	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H-H2O"	-17.0027
"297514"	981.526876	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+H"	1.007276
"686652"	1471.786676	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+H"	1.007276
"1362269"	491.267076	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H"	1.007276
"133334"	491.267076	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+2H"	2.014552
"568885"	736.396976	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+2H"	2.014552
"1041327"	246.137176	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2H"	2.014552
"208864"	327.847142666667	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+3H"	3.021828
"654619"	491.267076	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+3H"	3.021828
"1169465"	164.427209333333	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+3H"	3.021828
"434922"	998.553423	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+NH4"	18.033823
"797010"	1488.813223	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+NH4"	18.033823
"1688968"	508.293623	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+NH4"	18.033823
"333971"	499.7803495	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+H+NH4"	19.041099
"727851"	744.9102495	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+H+NH4"	19.041099
"1479850"	254.6504495	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H+NH4"	19.041099
"394884"	1003.508818	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+Na"	22.989218
"756609"	1493.768618	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+Na"	22.989218
"1603613"	513.249018	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Na"	22.989218
"315836"	502.258047	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+H+Na"	23.996494
"709348"	747.387947	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+H+Na"	23.996494
"1462075"	257.128147	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H+Na"	23.996494
"1054226"	171.754523333333	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2H+Na"	25.00377
"1259188"	523.293286	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+CH3OH+H"	33.033486
"378492"	1019.482758	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+K"	38.963158
"739610"	1509.742558	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+K"	38.963158
"1547748"	529.222958	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+K"	38.963158
"306745"	510.245017	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+H+K"	39.970434
"700262"	755.374917	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+H+K"	39.970434
"1451897"	265.115117	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H+K"	39.970434
"239401"	1022.553426	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+ACN+H"	42.033826
"1214299"	532.293626	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+ACN+H"	42.033826
"1196358"	266.650451	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+ACN+2H"	43.041102
"191062"	1025.49076	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+2Na-H"	44.97116
"632446"	1515.75056	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+2Na-H"	44.97116
"1132182"	535.23096	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2Na-H"	44.97116
"174255"	513.249018	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+2Na"	45.978436
"616986"	758.378918	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+2Na"	45.978436
"1120491"	268.119118	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2Na"	45.978436
"1399269"	179.081837333333	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H+2Na"	46.985712
"1431746"	537.272546	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H+HCOOH"	47.012746
"226920"	518.28204	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+3H2O+2H"	56.04448
"1518264"	551.32459	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+IsoProp+H"	61.06479
"413576"	521.235988	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+Na+K"	61.952376
"777853"	766.365888	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+Na+K"	61.952376
"1671996"	276.106088	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Na+K"	61.952376
"254868"	1044.535368	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+ACN+Na"	64.015768
"1229034"	554.275568	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+ACN+Na"	64.015768
"1719017"	554.299093	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+NH4+HCOOH"	64.039293
"1184369"	186.409151333333	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+3Na"	68.967654
"1658637"	559.254488	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Na+HCOOH"	68.994688
"163316"	1057.43864	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+2K-H"	76.91904
"605062"	1547.69844	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+2K-H"	76.91904
"1089575"	567.17884	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2K-H"	76.91904
"148578"	529.222958	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"2M+2K"	77.926316
"593606"	774.352858	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"3M+2K"	77.926316
"1078120"	284.093058	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2K"	77.926316
"1110236"	569.193392	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2K+H"	78.933592
"1343340"	569.281007	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+DMSO+H"	79.021207
"1015151"	573.320176	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2ACN+H"	83.060376
"1539713"	574.313808	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+IsoProp+Na+H"	84.054008
"1004831"	287.163726	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+2ACN+2H"	84.067652
"1597510"	575.228428	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+K+HCOOH"	84.968628
"1422077"	605.259938	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+H+CF3COOH"	115.000138
"1154554"	307.677001	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+3ACN+2H"	125.094202
"1705201"	622.286485	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+NH4+CF3COOH"	132.026685
"1639758"	627.24188	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+Na+CF3COOH"	136.98208
"1583064"	643.21582	"C18214"	"Jamaicamide C"	"C27H39ClN2O4"	"490.2598"	"M+K+CF3COOH"	152.95602
"810148"	216.0786	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M"	0
"983683"	197.06021	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-H2O-H"	-19.01839
"75213"	143.045124	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M-3H"	-3.021828
"516958"	215.071324	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M-3H"	-3.021828
"892573"	71.018924	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-3H"	-3.021828
"15161"	215.071324	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M-2H"	-2.014552
"453262"	323.110624	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M-2H"	-2.014552
"826321"	107.032024	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-2H"	-2.014552
"85219"	431.149924	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M-H"	-1.007276
"523687"	647.228524	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M-H"	-1.007276
"901490"	215.071324	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-H"	-1.007276
"48569"	448.176471	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M-2H+NH4"	16.019271
"490318"	664.255071	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M-2H+NH4"	16.019271
"865932"	232.097871	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-2H+NH4"	16.019271
"33832"	453.131866	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M-2H+Na"	20.974666
"480692"	669.210466	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M-2H+Na"	20.974666
"852661"	237.053266	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-2H+Na"	20.974666
"1629125"	237.053266	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Na-2H"	20.974666
"105654"	233.059663	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M-H+Cl"	33.962126
"539746"	341.098963	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M-H+Cl"	33.962126
"935446"	125.020363	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-H+Cl"	33.962126
"271815"	467.126602	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+Cl"	34.969402
"665330"	683.205202	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+Cl"	34.969402
"1277733"	251.048002	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Cl"	34.969402
"24663"	469.105806	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M-2H+K"	36.948606
"465319"	685.184406	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M-2H+K"	36.948606
"842026"	253.027206	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-2H+K"	36.948606
"1563328"	253.027206	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+K-2H"	36.948606
"951211"	261.076794	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-H+HCOOH"	44.998194
"365054"	477.155401	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+HCOOH-H"	44.998201
"351124"	491.171051	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+Hac-H"	59.013851
"1494853"	275.092451	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Hac-H"	59.013851
"962030"	283.058751	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-H+NaCOOH"	66.980151
"119690"	251.048002	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+2Cl"	69.938804
"553785"	359.087302	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+2Cl"	69.938804
"1029145"	143.008702	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2Cl"	69.938804
"1247629"	294.997485	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Br"	78.918885
"1314450"	297.053472	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Cl+HCOOH"	80.974872
"1325385"	319.035429	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Cl+NaCOOH"	102.956829
"918631"	329.064186	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M-H+CF3COOH"	112.985586
"1289871"	365.040864	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Cl+CF3COOH"	148.962264
"1382137"	181.065924	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H-2H2O"	-35.012676
"1395746"	199.0759	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H-H2O"	-17.0027
"296889"	433.164476	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+H"	1.007276
"686762"	649.243076	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+H"	1.007276
"1362745"	217.085876	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H"	1.007276
"133444"	217.085876	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+2H"	2.014552
"569724"	325.125176	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+2H"	2.014552
"1042166"	109.046576	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2H"	2.014552
"211890"	145.059676	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+3H"	3.021828
"654729"	217.085876	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+3H"	3.021828
"1170669"	73.033476	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+3H"	3.021828
"430658"	450.191023	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+NH4"	18.033823
"793841"	666.269623	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+NH4"	18.033823
"1690172"	234.112423	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+NH4"	18.033823
"334081"	225.5991495	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+H+NH4"	19.041099
"726503"	333.6384495	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+H+NH4"	19.041099
"1479596"	117.5598495	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H+NH4"	19.041099
"400097"	455.146418	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+Na"	22.989218
"755625"	671.225018	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+Na"	22.989218
"1608098"	239.067818	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Na"	22.989218
"317039"	228.076847	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+H+Na"	23.996494
"713833"	336.116147	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+H+Na"	23.996494
"1464370"	120.037547	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H+Na"	23.996494
"1055793"	80.36079	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2H+Na"	25.00377
"1257514"	249.112086	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+CH3OH+H"	33.033486
"377139"	471.120358	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+K"	38.963158
"738553"	687.198958	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+K"	38.963158
"1549680"	255.041758	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+K"	38.963158
"307948"	236.063817	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+H+K"	39.970434
"700368"	344.103117	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+H+K"	39.970434
"1450911"	128.024517	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H+K"	39.970434
"239511"	474.191026	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+ACN+H"	42.033826
"1211493"	258.112426	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+ACN+H"	42.033826
"1196468"	129.559851	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+ACN+2H"	43.041102
"191170"	477.12836	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+2Na-H"	44.97116
"631100"	693.20696	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+2Na-H"	44.97116
"1131684"	261.04976	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2Na-H"	44.97116
"174116"	239.067818	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+2Na"	45.978436
"617096"	347.107118	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+2Na"	45.978436
"1120601"	131.028518	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2Na"	45.978436
"1398690"	87.688104	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H+2Na"	46.985712
"1431492"	263.091346	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H+HCOOH"	47.012746
"227030"	244.10084	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+3H2O+2H"	56.04448
"1516187"	277.14339	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+IsoProp+H"	61.06479
"412957"	247.054788	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+Na+K"	61.952376
"777963"	355.094088	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+Na+K"	61.952376
"1671013"	139.015488	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Na+K"	61.952376
"254249"	496.172968	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+ACN+Na"	64.015768
"1230238"	280.094368	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+ACN+Na"	64.015768
"1722407"	280.117893	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+NH4+HCOOH"	64.039293
"1184479"	95.015418	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+3Na"	68.967654
"1653644"	285.073288	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Na+HCOOH"	68.994688
"164520"	509.07624	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+2K-H"	76.91904
"604079"	725.15484	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+2K-H"	76.91904
"1092965"	292.99764	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2K-H"	76.91904
"153060"	255.041758	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"2M+2K"	77.926316
"594809"	363.081058	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"3M+2K"	77.926316
"1080417"	147.002458	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2K"	77.926316
"1112533"	295.012192	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2K+H"	78.933592
"1344545"	295.099807	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+DMSO+H"	79.021207
"1015262"	299.138976	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2ACN+H"	83.060376
"1539221"	300.132608	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+IsoProp+Na+H"	84.054008
"1005390"	150.073126	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+2ACN+2H"	84.067652
"1597620"	301.047228	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+K+HCOOH"	84.968628
"1421094"	331.078738	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+H+CF3COOH"	115.000138
"1154664"	170.586401	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+3ACN+2H"	125.094202
"1703124"	348.105285	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+NH4+CF3COOH"	132.026685
"1639868"	353.06068	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+Na+CF3COOH"	136.98208
"1583174"	369.03462	"C18215"	"Bis(4-hydroxyphenyl)methanol"	"C13H12O3"	"216.0786"	"M+K+CF3COOH"	152.95602
"813538"	230.0579	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M"	0
"983794"	211.03951	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-H2O-H"	-19.01839
"78114"	152.364657333333	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M-3H"	-3.021828
"517069"	229.050624	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M-3H"	-3.021828
"890497"	75.6786906666667	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-3H"	-3.021828
"15231"	229.050624	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M-2H"	-2.014552
"454995"	344.079574	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M-2H"	-2.014552
"829712"	114.021674	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-2H"	-2.014552
"87516"	459.108524	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M-H"	-1.007276
"529264"	689.166424	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M-H"	-1.007276
"908161"	229.050624	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-H"	-1.007276
"51595"	476.135071	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M-2H+NH4"	16.019271
"496625"	706.192971	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M-2H+NH4"	16.019271
"872239"	246.077171	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-2H+NH4"	16.019271
"33941"	481.090466	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M-2H+Na"	20.974666
"479709"	711.148366	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M-2H+Na"	20.974666
"855323"	251.032566	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-2H+Na"	20.974666
"1632515"	251.032566	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Na-2H"	20.974666
"105764"	247.038963	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M-H+Cl"	33.962126
"538763"	362.067913	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M-H+Cl"	33.962126
"935556"	132.010013	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-H+Cl"	33.962126
"271925"	495.085202	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+Cl"	34.969402
"667628"	725.143102	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+Cl"	34.969402
"1277843"	265.027302	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Cl"	34.969402
"23680"	497.064406	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M-2H+K"	36.948606
"469684"	727.122306	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M-2H+K"	36.948606
"841043"	267.006506	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-2H+K"	36.948606
"1567812"	267.006506	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+K-2H"	36.948606
"950227"	275.056094	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-H+HCOOH"	44.998194
"375371"	505.114001	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+HCOOH-H"	44.998201
"353421"	519.129651	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+Hac-H"	59.013851
"1498973"	289.071751	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Hac-H"	59.013851
"966513"	297.038051	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-H+NaCOOH"	66.980151
"119800"	265.027302	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+2Cl"	69.938804
"557175"	380.056252	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+2Cl"	69.938804
"1029255"	149.998352	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2Cl"	69.938804
"1247739"	308.976785	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Br"	78.918885
"1314560"	311.032772	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Cl+HCOOH"	80.974872
"1328775"	333.014729	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Cl+NaCOOH"	102.956829
"924210"	343.043486	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M-H+CF3COOH"	112.985586
"1293263"	379.020164	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Cl+CF3COOH"	148.962264
"1382369"	195.045224	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H-2H2O"	-35.012676
"1396585"	213.0552	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H-H2O"	-17.0027
"296638"	461.123076	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+H"	1.007276
"688334"	691.180976	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+H"	1.007276
"1362857"	231.065176	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H"	1.007276
"135741"	231.065176	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+2H"	2.014552
"574208"	346.094126	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+2H"	2.014552
"1049567"	116.036226	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2H"	2.014552
"216010"	154.379209333333	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+3H"	3.021828
"657760"	231.065176	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+3H"	3.021828
"1174059"	77.6932426666667	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+3H"	3.021828
"434049"	478.149623	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+NH4"	18.033823
"799418"	708.207523	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+NH4"	18.033823
"1691376"	248.091723	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+NH4"	18.033823
"337472"	239.5784495	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+H+NH4"	19.041099
"727708"	354.6073995	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+H+NH4"	19.041099
"1482623"	124.5494995	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H+NH4"	19.041099
"401300"	483.105018	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+Na"	22.989218
"756829"	713.162918	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+Na"	22.989218
"1612582"	253.047118	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Na"	22.989218
"319336"	242.056147	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+H+Na"	23.996494
"720504"	357.085097	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+H+Na"	23.996494
"1465577"	127.027197	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H+Na"	23.996494
"1057729"	85.0205566666667	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2H+Na"	25.00377
"1259042"	263.091386	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+CH3OH+H"	33.033486
"377494"	499.078958	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+K"	38.963158
"740068"	729.136858	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+K"	38.963158
"1548696"	269.021058	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+K"	38.963158
"304778"	250.043117	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+H+K"	39.970434
"700478"	365.072067	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+H+K"	39.970434
"1449928"	135.014167	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H+K"	39.970434
"236706"	502.149626	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+ACN+H"	42.033826
"1210266"	272.091726	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+ACN+H"	42.033826
"1195846"	136.549501	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+ACN+2H"	43.041102
"192377"	505.08696	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+2Na-H"	44.97116
"632667"	735.14486	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+2Na-H"	44.97116
"1133377"	275.02906	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2Na-H"	44.97116
"176546"	253.047118	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+2Na"	45.978436
"617206"	368.076068	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+2Na"	45.978436
"1120711"	138.018168	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2Na"	45.978436
"1398800"	92.3478706666667	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H+2Na"	46.985712
"1430874"	277.070646	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H+HCOOH"	47.012746
"220205"	258.08014	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+3H2O+2H"	56.04448
"1513016"	291.12269	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+IsoProp+H"	61.06479
"412703"	261.034088	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+Na+K"	61.952376
"778073"	376.063038	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+Na+K"	61.952376
"1671123"	146.005138	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Na+K"	61.952376
"254725"	524.131568	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+ACN+Na"	64.015768
"1232536"	294.073668	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+ACN+Na"	64.015768
"1722517"	294.097193	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+NH4+HCOOH"	64.039293
"1183496"	99.6751846666667	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+3Na"	68.967654
"1655577"	299.052588	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Na+HCOOH"	68.994688
"164624"	537.03484	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+2K-H"	76.91904
"606373"	767.09274	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+2K-H"	76.91904
"1089791"	306.97694	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2K-H"	76.91904
"152077"	269.021058	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"2M+2K"	77.926316
"592730"	384.050008	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"3M+2K"	77.926316
"1080524"	153.992108	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2K"	77.926316
"1109362"	308.991492	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2K+H"	78.933592
"1345747"	309.079107	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+DMSO+H"	79.021207
"1019745"	313.118276	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2ACN+H"	83.060376
"1537871"	314.111908	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+IsoProp+Na+H"	84.054008
"1003228"	157.062776	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+2ACN+2H"	84.067652
"1595544"	315.026528	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+K+HCOOH"	84.968628
"1422298"	345.058038	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+H+CF3COOH"	115.000138
"1154774"	177.576051	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+3ACN+2H"	125.094202
"1702141"	362.084585	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+NH4+CF3COOH"	132.026685
"1637791"	367.03998	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+Na+CF3COOH"	136.98208
"1583284"	383.01392	"C18216"	"4-Hydroxyphenyl-4-hydroxybenzoate"	"C13H10O4"	"230.0579"	"M+K+CF3COOH"	152.95602
"814746"	448.2825	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M"	0
"982810"	429.26411	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-H2O-H"	-19.01839
"78415"	297.847724	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M-3H"	-3.021828
"516817"	447.275224	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M-3H"	-3.021828
"894255"	148.420224	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-3H"	-3.021828
"13565"	447.275224	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M-2H"	-2.014552
"453121"	671.416474	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M-2H"	-2.014552
"831645"	223.133974	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-2H"	-2.014552
"90907"	895.557724	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M-H"	-1.007276
"532173"	1343.840224	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M-H"	-1.007276
"907181"	447.275224	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-H"	-1.007276
"51341"	912.584271	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M-2H+NH4"	16.019271
"497829"	1360.866771	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M-2H+NH4"	16.019271
"872350"	464.301771	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-2H+NH4"	16.019271
"36972"	917.539666	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M-2H+Na"	20.974666
"478726"	1365.822166	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M-2H+Na"	20.974666
"853247"	469.257166	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-2H+Na"	20.974666
"1629344"	469.257166	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Na-2H"	20.974666
"102593"	465.263563	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M-H+Cl"	33.962126
"537777"	689.404813	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M-H+Cl"	33.962126
"930198"	241.122313	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-H+Cl"	33.962126
"272035"	931.534402	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+Cl"	34.969402
"664456"	1379.816902	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+Cl"	34.969402
"1275765"	483.251902	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Cl"	34.969402
"23790"	933.513606	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M-2H+K"	36.948606
"465539"	1381.796106	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M-2H+K"	36.948606
"838965"	485.231106	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-2H+K"	36.948606
"1565735"	485.231106	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+K-2H"	36.948606
"950337"	493.280694	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-H+HCOOH"	44.998194
"364180"	941.563201	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+HCOOH-H"	44.998201
"349154"	955.578851	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+Hac-H"	59.013851
"1494344"	507.296351	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Hac-H"	59.013851
"963342"	515.262651	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-H+NaCOOH"	66.980151
"121003"	483.251902	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+2Cl"	69.938804
"558379"	707.393152	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+2Cl"	69.938804
"1034469"	259.110652	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2Cl"	69.938804
"1248942"	527.201385	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Br"	78.918885
"1315763"	529.257372	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Cl+HCOOH"	80.974872
"1328885"	551.239329	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Cl+NaCOOH"	102.956829
"925412"	561.268086	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M-H+CF3COOH"	112.985586
"1297747"	597.244764	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Cl+CF3COOH"	148.962264
"1374821"	413.269824	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H-2H2O"	-35.012676
"1397424"	431.2798	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H-H2O"	-17.0027
"297473"	897.572276	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+H"	1.007276
"689173"	1345.854776	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+H"	1.007276
"1365155"	449.289776	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H"	1.007276
"134758"	449.289776	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+2H"	2.014552
"577598"	673.431026	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+2H"	2.014552
"1049313"	225.148526	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2H"	2.014552
"214297"	299.862276	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+3H"	3.021828
"657869"	449.289776	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+3H"	3.021828
"1175262"	150.434776	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+3H"	3.021828
"438534"	914.598823	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+NH4"	18.033823
"800870"	1362.881323	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+NH4"	18.033823
"1693675"	466.316323	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+NH4"	18.033823
"338675"	457.8030495	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+H+NH4"	19.041099
"727819"	681.9442995	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+H+NH4"	19.041099
"1482733"	233.6617995	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H+NH4"	19.041099
"400318"	919.554218	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+Na"	22.989218
"759128"	1367.836718	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+Na"	22.989218
"1603823"	471.271718	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Na"	22.989218
"322728"	460.280747	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+H+Na"	23.996494
"716242"	684.421997	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+H+Na"	23.996494
"1467876"	236.139497	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H+Na"	23.996494
"1053830"	157.76209	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2H+Na"	25.00377
"1261703"	481.315986	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+CH3OH+H"	33.033486
"378578"	935.528158	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+K"	38.963158
"739215"	1383.810658	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+K"	38.963158
"1549899"	487.245658	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+K"	38.963158
"310355"	468.267717	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+H+K"	39.970434
"697309"	692.408967	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+H+K"	39.970434
"1451129"	244.126467	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H+K"	39.970434
"239002"	938.598826	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+ACN+H"	42.033826
"1213536"	490.316326	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+ACN+H"	42.033826
"1199607"	245.661801	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+ACN+2H"	43.041102
"201235"	941.53616	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+2Na-H"	44.97116
"638609"	1389.81866	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+2Na-H"	44.97116
"1139927"	493.25366	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2Na-H"	44.97116
"181030"	471.271718	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+2Na"	45.978436
"620589"	695.412968	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+2Na"	45.978436
"1117900"	247.130468	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2Na"	45.978436
"1401060"	165.089404	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H+2Na"	46.985712
"1430256"	495.295246	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H+HCOOH"	47.012746
"220071"	476.30474	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+3H2O+2H"	56.04448
"1513126"	509.34729	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+IsoProp+H"	61.06479
"413906"	479.258688	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+Na+K"	61.952376
"779277"	703.399938	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+Na+K"	61.952376
"1672327"	255.117438	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Na+K"	61.952376
"258845"	960.580768	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+ACN+Na"	64.015768
"1233741"	512.298268	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+ACN+Na"	64.015768
"1724814"	512.321793	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+NH4+HCOOH"	64.039293
"1187980"	172.416718	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+3Na"	68.967654
"1657874"	517.277188	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Na+HCOOH"	68.994688
"169109"	973.48404	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+2K-H"	76.91904
"608671"	1421.76654	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+2K-H"	76.91904
"1089900"	525.20154	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2K-H"	76.91904
"153281"	487.245658	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"2M+2K"	77.926316
"592839"	711.386908	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"3M+2K"	77.926316
"1080635"	263.104408	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2K"	77.926316
"1111656"	527.216092	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2K+H"	78.933592
"1345855"	527.303707	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+DMSO+H"	79.021207
"1016573"	531.342876	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2ACN+H"	83.060376
"1534696"	532.336508	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+IsoProp+Na+H"	84.054008
"996773"	266.175076	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+2ACN+2H"	84.067652
"1598933"	533.251128	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+K+HCOOH"	84.968628
"1422407"	563.282638	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+H+CF3COOH"	115.000138
"1154884"	286.688351	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+3ACN+2H"	125.094202
"1703342"	580.309185	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+NH4+CF3COOH"	132.026685
"1640088"	585.26458	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+Na+CF3COOH"	136.98208
"1583394"	601.23852	"C18217"	"16-Feruloyloxypalmitate;16-Feruloyloxypalmitic acid"	"C26H40O6"	"448.2825"	"M+K+CF3COOH"	152.95602
"810478"	272.2351	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M"	0
"986199"	253.21671	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-H2O-H"	-19.01839
"78498"	180.482790666667	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M-3H"	-3.021828
"518225"	271.227824	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M-3H"	-3.021828
"891812"	89.7377573333333	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-3H"	-3.021828
"13670"	271.227824	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M-2H"	-2.014552
"451043"	407.345374	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M-2H"	-2.014552
"829931"	135.110274	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-2H"	-2.014552
"88830"	543.462924	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M-H"	-1.007276
"534108"	815.698024	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M-H"	-1.007276
"905103"	271.227824	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-H"	-1.007276
"52180"	560.489471	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M-2H+NH4"	16.019271
"497939"	832.724571	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M-2H+NH4"	16.019271
"872459"	288.254371	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-2H+NH4"	16.019271
"39268"	565.444866	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M-2H+Na"	20.974666
"477742"	837.679966	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M-2H+Na"	20.974666
"855543"	293.209766	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-2H+Na"	20.974666
"1629454"	293.209766	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Na-2H"	20.974666
"103796"	289.216163	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M-H+Cl"	33.962126
"537887"	425.333713	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M-H+Cl"	33.962126
"930308"	153.098613	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-H+Cl"	33.962126
"271052"	579.439602	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+Cl"	34.969402
"663472"	851.674702	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+Cl"	34.969402
"1276968"	307.204502	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Cl"	34.969402
"24992"	581.418806	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M-2H+K"	36.948606
"469294"	853.653906	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M-2H+K"	36.948606
"841261"	309.183706	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-2H+K"	36.948606
"1566938"	309.183706	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+K-2H"	36.948606
"954820"	317.233294	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-H+HCOOH"	44.998194
"367570"	589.468401	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+HCOOH-H"	44.998201
"352545"	603.484051	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+Hac-H"	59.013851
"1496641"	331.248951	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Hac-H"	59.013851
"963816"	339.215251	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-H+NaCOOH"	66.980151
"121113"	307.204502	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+2Cl"	69.938804
"559582"	443.322052	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+2Cl"	69.938804
"1035672"	171.086952	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2Cl"	69.938804
"1249052"	351.153985	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Br"	78.918885
"1315873"	353.209972	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Cl+HCOOH"	80.974872
"1332275"	375.191929	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Cl+NaCOOH"	102.956829
"925158"	385.220686	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M-H+CF3COOH"	112.985586
"1301137"	421.197364	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Cl+CF3COOH"	148.962264
"1377117"	237.222424	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H-2H2O"	-35.012676
"1396075"	255.2324	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H-H2O"	-17.0027
"296490"	545.477476	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+H"	1.007276
"688185"	817.712576	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+H"	1.007276
"1364898"	273.242376	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H"	1.007276
"137054"	273.242376	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+2H"	2.014552
"577708"	409.359926	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+2H"	2.014552
"1049423"	137.124826	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2H"	2.014552
"217323"	182.497342666667	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+3H"	3.021828
"659072"	273.242376	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+3H"	3.021828
"1176102"	91.7523093333333	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+3H"	3.021828
"437916"	562.504023	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+NH4"	18.033823
"800739"	834.739123	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+NH4"	18.033823
"1694150"	290.268923	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+NH4"	18.033823
"342431"	281.7556495	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+H+NH4"	19.041099
"727929"	417.8731995	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+H+NH4"	19.041099
"1487215"	145.6380995	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H+NH4"	19.041099
"399334"	567.459418	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+Na"	22.989218
"760330"	839.694518	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+Na"	22.989218
"1606243"	295.224318	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Na"	22.989218
"327941"	284.233347	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+H+Na"	23.996494
"720726"	420.350897	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+H+Na"	23.996494
"1467985"	148.115797	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H+Na"	23.996494
"1057948"	99.0796233333333	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2H+Na"	25.00377
"1261813"	305.268586	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+CH3OH+H"	33.033486
"377842"	583.433358	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+K"	38.963158
"740051"	855.668458	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+K"	38.963158
"1547819"	311.198258	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+K"	38.963158
"306092"	292.220317	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+H+K"	39.970434
"700701"	428.337867	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+H+K"	39.970434
"1449053"	156.102767	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H+K"	39.970434
"238382"	586.504026	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+ACN+H"	42.033826
"1214740"	314.268926	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+ACN+H"	42.033826
"1197164"	157.638101	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+ACN+2H"	43.041102
"202317"	589.44136	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+2Na-H"	44.97116
"638718"	861.67646	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+2Na-H"	44.97116
"1140035"	317.20626	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2Na-H"	44.97116
"176765"	295.224318	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+2Na"	45.978436
"617419"	431.341868	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+2Na"	45.978436
"1116305"	159.106768	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2Na"	45.978436
"1402263"	106.406937333333	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H+2Na"	46.985712
"1430248"	319.247846	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H+HCOOH"	47.012746
"220550"	300.25734	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+3H2O+2H"	56.04448
"1508855"	333.29989	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+IsoProp+H"	61.06479
"414015"	303.211288	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+Na+K"	61.952376
"780481"	439.328838	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+Na+K"	61.952376
"1674623"	167.093738	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Na+K"	61.952376
"260048"	608.485968	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+ACN+Na"	64.015768
"1237131"	336.250868	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+ACN+Na"	64.015768
"1724924"	336.274393	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+NH4+HCOOH"	64.039293
"1188090"	113.734251333333	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+3Na"	68.967654
"1659076"	341.229788	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Na+HCOOH"	68.994688
"171284"	621.38924	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+2K-H"	76.91904
"611696"	893.62434	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+2K-H"	76.91904
"1091103"	349.15414	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2K-H"	76.91904
"151203"	311.198258	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"2M+2K"	77.926316
"592949"	447.315808	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"3M+2K"	77.926316
"1080744"	175.080708	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2K"	77.926316
"1111765"	351.168692	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2K+H"	78.933592
"1348149"	351.256307	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+DMSO+H"	79.021207
"1014493"	355.295476	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2ACN+H"	83.060376
"1532618"	356.289108	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+IsoProp+Na+H"	84.054008
"997976"	178.151376	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+2ACN+2H"	84.067652
"1596854"	357.203728	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+K+HCOOH"	84.968628
"1420331"	387.235238	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+H+CF3COOH"	115.000138
"1157181"	198.664651	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+3ACN+2H"	125.094202
"1703452"	404.261785	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+NH4+CF3COOH"	132.026685
"1640198"	409.21718	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+Na+CF3COOH"	136.98208
"1583504"	425.19112	"C18218"	"16-Hydroxypalmitate;16-Hydroxypalmitic acid"	"C16H32O3"	"272.2351"	"M+K+CF3COOH"	152.95602
"810588"	288.2453	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M"	0
"984123"	269.22691	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"77797"	191.156257333333	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"518369"	287.238024	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"893017"	95.0744906666666	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"9403"	287.238024	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"448965"	431.360674	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"830041"	143.115374	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"94210"	575.483324	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"533978"	863.728624	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"905213"	287.238024	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"57395"	592.509871	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"501329"	880.755171	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"872570"	304.264571	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"44847"	597.465266	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"481132"	885.710566	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"855653"	309.219966	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1632723"	309.219966	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"106092"	305.226363	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"544557"	449.349013	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"934790"	161.103713	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"274442"	611.460002	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"667955"	899.705302	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1280357"	323.214702	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"27288"	613.439206	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"469405"	901.684506	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"843557"	325.193906	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1567048"	325.193906	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"956024"	333.243494	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"372053"	621.488801	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"360188"	635.504451	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1505861"	347.259151	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"963198"	355.225451	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"121223"	323.214702	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"562973"	467.337352	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1031772"	179.092052	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1250255"	367.164185	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1315983"	369.220172	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1332385"	391.202129	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"924176"	401.230886	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1299062"	437.207564	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1380873"	253.232624	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1394364"	271.2426	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"293317"	577.497876	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"685737"	865.743176	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1363550"	289.252576	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"136071"	289.252576	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"574538"	433.375226	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1049169"	145.129926	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"214517"	193.170809333333	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"659545"	289.252576	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1177793"	97.0890426666667	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"437661"	594.524423	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"799994"	882.769723	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1695717"	306.279123	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"341082"	297.7658495	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"728039"	441.8884995	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1488419"	153.6431995	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"397256"	599.479818	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"763719"	887.725118	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1616557"	311.234518	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"328780"	300.243547	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"719743"	444.366197	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1463723"	156.120897	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1054048"	104.416356666667	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1257350"	321.278786	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"377829"	615.453758	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"738821"	903.699058	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1543920"	327.208458	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"304015"	308.230517	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"695708"	452.353167	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1448432"	164.107867	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"237398"	618.524426	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1222505"	330.279126	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1203108"	165.643201	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"202548"	621.46176	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"638828"	909.70706	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1137958"	333.21646	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"180155"	311.234518	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"617528"	455.357168	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1124316"	167.111868	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1404559"	111.743670666667	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1431331"	335.258046	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"220539"	316.26754	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1509820"	349.31009	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"414125"	319.221488	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"780592"	463.344138	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1676920"	175.098838	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"264168"	640.506368	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1240767"	352.261068	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1727586"	352.284593	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1188200"	119.070984666667	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1658094"	357.239988	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"171394"	653.40964	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"612174"	941.65494	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1091214"	365.16434	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"151313"	327.208458	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"594152"	471.331108	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1079760"	183.085808	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1112969"	367.178892	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1344979"	367.266507	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1018855"	371.305676	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1539620"	372.299308	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"999179"	186.156476	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1595871"	373.213928	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1423721"	403.245438	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1158383"	206.669751	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1702469"	420.271985	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1640308"	425.22738	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1583614"	441.20132	"C18219"	"Palustradienol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"810698"	286.2297	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M"	0
"983140"	267.21131	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"78330"	189.812524	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"517146"	285.222424	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"893127"	94.402624	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"13889"	285.222424	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"447982"	428.337274	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"831856"	142.107574	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"93426"	571.452124	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"533963"	857.681824	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"910875"	285.222424	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"55319"	588.478671	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"497067"	874.708371	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"874869"	302.248971	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"39489"	593.434066	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"479055"	879.663766	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"855762"	307.204366	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1631860"	307.204366	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"106202"	303.210763	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"540294"	446.325613	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"935993"	160.095913	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"274552"	607.428802	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"670252"	893.658502	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1282655"	321.199102	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"28492"	609.408006	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"469151"	895.637706	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"843668"	323.178306	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1568617"	323.178306	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"955770"	331.227894	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"372163"	617.457601	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"359693"	631.473251	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1506700"	345.243551	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"963673"	353.209851	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"122428"	321.199102	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"559803"	464.313952	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1034070"	178.084252	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1255835"	365.148585	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1318281"	367.204572	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1332864"	389.186529	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"922462"	399.215286	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1298078"	435.191964	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1378796"	251.217024	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1391555"	269.227	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"293427"	573.466676	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"685847"	859.696376	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1364022"	287.236976	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H"	1.007276
"136181"	287.236976	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"577926"	430.351826	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1048550"	144.122126	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"212438"	191.827076	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"658565"	287.236976	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1175593"	96.417176	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"438501"	590.493223	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"797673"	876.722923	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1690725"	304.263523	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"342286"	295.7502495	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"730334"	438.8650995	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1486342"	152.6353995	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"407940"	595.448618	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"758364"	881.678318	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1613020"	309.218918	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"326705"	298.227947	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"716572"	441.342797	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1463223"	155.113097	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1054281"	103.74449	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1257659"	319.263186	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"377362"	611.422558	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"741977"	897.652258	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1543668"	325.192858	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+K"	38.963158
"304490"	306.214917	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"698006"	449.329767	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1452556"	163.100067	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"240065"	614.493226	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1217147"	328.263526	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1202124"	164.635401	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"203386"	617.43056	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"636748"	903.66026	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1138066"	331.20086	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"180265"	309.218918	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"616545"	452.333768	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1125520"	166.104068	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1405763"	111.071804	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1438975"	333.242446	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"227579"	314.25194	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1513454"	347.29449	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"419702"	317.205888	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"783982"	460.320738	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1677760"	174.091038	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"266101"	636.475168	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1241053"	350.245468	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1727820"	350.268993	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1187217"	118.399118	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1660391"	355.224388	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"171627"	649.37844	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"612607"	935.60814	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1097886"	363.14874	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"155797"	325.192858	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"593169"	468.307708	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1079873"	182.078008	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1114053"	365.163292	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1349466"	365.250907	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1020061"	369.290076	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1539038"	370.283708	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"1001475"	185.148676	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1598169"	371.198328	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1427841"	401.229838	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1161045"	205.661951	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1702579"	418.256385	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1642605"	423.21178	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1583724"	439.18572	"C18220"	"Palustradienal"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"802060"	288.2453	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M"	0
"981061"	269.22691	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"76601"	191.156257333333	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"515433"	287.238024	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"887769"	95.0744906666666	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"9624"	287.238024	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"448092"	431.360674	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"828076"	143.115374	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"86976"	575.483324	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"530912"	863.728624	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"906528"	287.238024	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"53242"	592.509871	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"497177"	880.755171	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"872792"	304.264571	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"37412"	597.465266	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"473331"	885.710566	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"851131"	309.219966	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1626502"	309.219966	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"99749"	305.226363	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"543683"	449.349013	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"928084"	161.103713	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"274660"	611.460002	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"669268"	899.705302	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1278392"	323.214702	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"25322"	613.439206	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"468896"	901.684506	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"843778"	325.193906	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1567999"	325.193906	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"956244"	333.243494	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"374460"	621.488801	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"359801"	635.504451	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1506081"	347.259151	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"963054"	355.225451	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"122538"	323.214702	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"559913"	467.337352	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1034180"	179.092052	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1255945"	367.164185	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1318391"	369.220172	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1333701"	391.202129	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"922572"	401.230886	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1300011"	437.207564	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1375260"	253.232624	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1391665"	271.2426	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"290255"	577.497876	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"683770"	865.743176	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1364132"	289.252576	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"134104"	289.252576	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"578036"	433.375226	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1046835"	145.129926	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"212550"	193.170809333333	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"658306"	289.252576	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1171328"	97.0890426666667	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"435695"	594.524423	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"796690"	882.769723	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1685366"	306.279123	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"332555"	297.7658495	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"723515"	441.8884995	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1479892"	153.6431995	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"404766"	599.479818	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"754625"	887.725118	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1608756"	311.234518	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"317700"	300.243547	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"709028"	444.366197	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1463573"	156.120897	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1053904"	104.416356666667	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1257526"	321.278786	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"377314"	615.453758	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"738569"	903.699058	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1539917"	327.208458	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"301315"	308.230517	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"694834"	452.353167	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1447924"	164.107867	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"236643"	618.524426	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1211542"	330.279126	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1196763"	165.643201	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"200580"	621.46176	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"634671"	909.70706	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1134896"	333.21646	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"179282"	311.234518	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"616655"	455.357168	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1119070"	167.111868	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1399434"	111.743670666667	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1433616"	335.258046	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"225502"	316.26754	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1511378"	349.31009	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"414345"	319.221488	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"782997"	463.344138	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1677139"	175.098838	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"259284"	640.506368	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1238554"	352.261068	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1726347"	352.284593	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1188420"	119.070984666667	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1661594"	357.239988	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"172548"	653.40964	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"610203"	941.65494	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1097875"	365.16434	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"155907"	327.208458	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"593279"	471.331108	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1079983"	183.085808	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1115136"	367.178892	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1346296"	367.266507	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1020170"	371.305676	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1537325"	372.299308	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"999399"	186.156476	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1596092"	373.213928	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1423941"	403.245438	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1156417"	206.669751	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1700502"	420.271985	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1641621"	425.22738	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1583834"	441.20132	"C18221"	"Isopimaradienol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"802534"	286.2297	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M"	0
"981171"	267.21131	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"76709"	189.812524	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"514450"	285.222424	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"887879"	94.402624	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"9734"	285.222424	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"446015"	428.337274	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"828185"	142.107574	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"90365"	571.452124	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"529928"	857.681824	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"905544"	285.222424	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"55545"	588.478671	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"491825"	874.708371	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"872902"	302.248971	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"36429"	593.434066	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"473805"	879.663766	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"850877"	307.204366	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1626612"	307.204366	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"99859"	303.210763	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"542700"	446.325613	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"928559"	160.095913	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"273677"	607.428802	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"671565"	893.658502	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1278502"	321.199102	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"25432"	609.408006	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"468642"	895.637706	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"846075"	323.178306	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1567745"	323.178306	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"954897"	331.227894	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"374208"	617.457601	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"356995"	631.473251	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1505464"	345.243551	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"964987"	353.209851	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"125443"	321.199102	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"562210"	464.313952	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1034655"	178.084252	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1255327"	365.148585	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1317773"	367.204572	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1332719"	389.186529	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"922320"	399.215286	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1300487"	435.191964	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1376463"	251.217024	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1391775"	269.227	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"290365"	573.466676	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"683880"	859.696376	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1364242"	287.236976	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H"	1.007276
"133121"	287.236976	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"577418"	430.351826	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1046945"	144.122126	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"211567"	191.827076	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"659594"	287.236976	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1173626"	96.417176	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"433618"	590.493223	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"796801"	876.722923	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1686570"	304.263523	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"331935"	295.7502495	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"724353"	438.8650995	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1477185"	152.6353995	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"396493"	595.448618	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"755178"	881.678318	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1608866"	309.218918	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"315499"	298.227947	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"711324"	441.342797	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1461694"	155.113097	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1054133"	103.74449	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1258484"	319.263186	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"377909"	611.422558	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"739153"	897.652258	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1540109"	325.192858	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+K"	38.963158
"301061"	306.214917	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"694214"	449.329767	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1445834"	163.100067	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"236143"	614.493226	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1212989"	328.263526	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1196144"	164.635401	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"200690"	617.43056	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"633688"	903.66026	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1135003"	331.20086	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"173554"	309.218918	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"617858"	452.333768	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1116744"	166.104068	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1401609"	111.071804	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1430007"	333.242446	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"221236"	314.25194	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1510758"	347.29449	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"415548"	317.205888	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"782013"	460.320738	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1676156"	174.091038	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"259394"	636.475168	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1236477"	350.245468	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1726457"	350.268993	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1186343"	118.399118	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1661704"	355.224388	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"172455"	649.37844	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"609220"	935.60814	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1097743"	363.14874	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"155775"	325.192858	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"593389"	468.307708	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1076813"	182.078008	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1114032"	365.163292	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1350420"	365.250907	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1018216"	369.290076	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1536343"	370.283708	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"1000602"	185.148676	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1595108"	371.198328	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1417491"	401.229838	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1151060"	205.661951	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1701705"	418.256385	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1640638"	423.21178	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1583944"	439.18572	"C18222"	"Isopimaradienal"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"811028"	272.2504	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M"	0
"982376"	253.23201	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"77063"	180.492990666667	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"512374"	271.243124	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"887989"	89.7428573333333	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"7657"	271.243124	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"445032"	407.368324	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"821736"	135.117924	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"80636"	543.493524	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"531131"	815.743924	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"904560"	271.243124	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"51281"	560.520071	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"491935"	832.770471	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"877386"	288.269671	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"39819"	565.475466	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"474644"	837.725866	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"850987"	293.225066	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1621255"	293.225066	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"96689"	289.231463	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"535155"	425.356663	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"927940"	153.106263	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"269412"	579.470202	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"669487"	851.720602	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1281892"	307.219802	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"22262"	581.449406	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"465104"	853.699806	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"838531"	309.199006	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1564207"	309.199006	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"948808"	317.248594	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"364838"	589.499001	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"349816"	603.514651	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1500834"	331.264251	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"961086"	339.230551	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"122758"	307.219802	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"562685"	443.345002	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1032213"	171.094602	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1253979"	351.169285	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1317886"	353.225272	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1329549"	375.207229	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"923158"	385.235986	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1300597"	421.212664	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1377667"	237.237724	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1391885"	255.2477	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"290475"	545.508076	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"683990"	817.758476	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1361800"	273.257676	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H"	1.007276
"136876"	273.257676	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"578258"	409.382876	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1044869"	137.132476	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"210583"	182.507542666667	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"655610"	273.257676	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1173736"	91.7574093333333	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"431541"	562.534623	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"792537"	834.785023	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1686680"	290.284223	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"332045"	281.7709495	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"723856"	417.8961495	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1480477"	145.6457495	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"396967"	567.490018	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755775"	839.740418	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1604966"	295.239618	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"315368"	284.248647	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"716902"	420.373847	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1461846"	148.123447	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1053556"	99.0847233333333	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1257499"	305.283886	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"377774"	583.463958	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"740117"	855.714358	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1540347"	311.213558	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+K"	38.963158
"299830"	292.235617	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"695053"	428.360817	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1447041"	156.110417	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"236131"	586.534626	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1213463"	314.284226	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1195764"	157.645751	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"189363"	589.47196	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"634162"	861.72236	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1134019"	317.22156	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"174028"	295.239618	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"617968"	431.364818	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1116737"	159.114418	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1402084"	106.412037333333	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1431280"	319.263146	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"222075"	300.27264	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1513784"	333.31519	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"411284"	303.226588	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"778478"	439.351788	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1676632"	167.101388	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"259504"	608.516568	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1236587"	336.266168	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1725475"	336.289693	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1186453"	113.739351333333	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1662907"	341.245088	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"171959"	621.41984	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"610424"	893.67024	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1092750"	349.16944	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"155037"	311.213558	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"596666"	447.338758	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1080203"	175.088358	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1114383"	351.183992	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1350043"	351.271607	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1021212"	355.310776	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1536452"	356.304408	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1000712"	178.159026	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1595219"	357.219028	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1420881"	387.250538	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1152264"	198.672301	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1706190"	404.277085	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1640748"	409.23248	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584054"	425.20642	"C18223"	"Stemar-13-ene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"811138"	272.2504	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M"	0
"985766"	253.23201	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"78024"	180.492990666667	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"513577"	271.243124	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"884818"	89.7428573333333	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"8861"	271.243124	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"448422"	407.368324	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"822939"	135.117924	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"87307"	543.493524	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"529055"	815.743924	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"902484"	271.243124	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"54671"	560.520071	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"495325"	832.770471	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"875310"	288.269671	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"37742"	565.475466	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"481675"	837.725866	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"854014"	293.225066	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1623551"	293.225066	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"98986"	289.231463	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"538545"	425.356663	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"930966"	153.106263	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"272803"	579.470202	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"667410"	851.720602	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1278722"	307.219802	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"19092"	581.449406	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"465214"	853.699806	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"838641"	309.199006	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1561037"	309.199006	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"950011"	317.248594	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"364218"	589.499001	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"351019"	603.514651	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1498026"	331.264251	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"961195"	339.230551	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"120681"	307.219802	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"563161"	443.345002	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1032321"	171.094602	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1252993"	351.169285	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1315443"	353.225272	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1329657"	375.207229	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"922176"	385.235986	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1299247"	421.212664	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1376320"	237.237724	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1394183"	255.2477	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"290585"	545.508076	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"683007"	817.758476	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1359358"	273.257676	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H"	1.007276
"134070"	273.257676	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"575453"	409.382876	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1043884"	137.132476	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"212878"	182.507542666667	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"651346"	273.257676	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1171657"	91.7574093333333	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"429463"	562.534623	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"793739"	834.785023	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1687882"	290.284223	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"332881"	281.7709495	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"723485"	417.8961495	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1477790"	145.6457495	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"393795"	567.490018	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755763"	839.740418	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1603981"	295.239618	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"319123"	284.248647	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"714825"	420.373847	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1461756"	148.123447	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1053382"	99.0847233333333	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1257285"	305.283886	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"377519"	583.463958	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"740227"	855.714358	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1541551"	311.213558	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+K"	38.963158
"301643"	292.235617	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"692606"	428.360817	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1446425"	156.110417	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"236245"	586.534626	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1210532"	314.284226	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1194904"	157.645751	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"188866"	589.47196	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"633908"	861.72236	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1134129"	317.22156	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"173406"	295.239618	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"618078"	431.364818	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1116846"	159.114418	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1398785"	106.412037333333	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1430657"	319.263146	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"222914"	300.27264	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1512800"	333.31519	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"413581"	303.226588	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"780776"	439.351788	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1675284"	167.101388	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"256333"	608.516568	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1234512"	336.266168	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1723398"	336.289693	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1185470"	113.739351333333	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1662654"	341.245088	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"171338"	621.41984	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"610534"	893.67024	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1092860"	349.16944	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"156239"	311.213558	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"596656"	447.338758	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1082500"	175.088358	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1114250"	351.183992	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1350394"	351.271607	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1020505"	355.310776	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1535469"	356.304408	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1000822"	178.159026	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1596422"	357.219028	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1419898"	387.250538	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1152374"	198.672301	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1706300"	404.277085	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1640858"	409.23248	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584164"	425.20642	"C18224"	"Stemod-13(17)-ene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"811248"	272.2504	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M"	0
"981504"	253.23201	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"77042"	180.492990666667	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"514780"	271.243124	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"884927"	89.7428573333333	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"7878"	271.243124	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"445252"	407.368324	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"821956"	135.117924	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"80856"	543.493524	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"530258"	815.743924	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"900407"	271.243124	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"48342"	560.520071	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"498714"	832.770471	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"875420"	288.269671	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"37123"	565.475466	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"481785"	837.725866	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"853031"	293.225066	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1622568"	293.225066	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"99096"	289.231463	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"538655"	425.356663	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"931076"	153.106263	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"270727"	579.470202	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"666427"	851.720602	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1278832"	307.219802	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"19202"	581.449406	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"465324"	853.699806	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"838751"	309.199006	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1561147"	309.199006	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"949028"	317.248594	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"365057"	589.499001	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"351129"	603.514651	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1497772"	331.264251	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960940"	339.230551	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"120791"	307.219802	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"563636"	443.345002	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1033524"	171.094602	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1254196"	351.169285	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1316646"	353.225272	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1329767"	375.207229	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"924107"	385.235986	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1296441"	421.212664	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1372419"	237.237724	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1391010"	255.2477	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"288508"	545.508076	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"682023"	817.758476	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1357281"	273.257676	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"133449"	273.257676	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"574831"	409.382876	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1042901"	137.132476	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"206428"	182.507542666667	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"652549"	273.257676	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1168487"	91.7574093333333	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"426293"	562.534623	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"790569"	834.785023	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1685805"	290.284223	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"332629"	281.7709495	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"722863"	417.8961495	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1478509"	145.6457495	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"401195"	567.490018	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755020"	839.740418	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1603483"	295.239618	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"318503"	284.248647	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"708860"	420.373847	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1461949"	148.123447	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1052783"	99.0847233333333	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1257068"	305.283886	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"377258"	583.463958	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"738640"	855.714358	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1541297"	311.213558	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"299929"	292.235617	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"692718"	428.360817	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1446538"	156.110417	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"235947"	586.534626	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1210881"	314.284226	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1195132"	157.645751	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"188894"	589.47196	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"631095"	861.72236	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1133386"	317.22156	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"175329"	295.239618	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"613318"	431.364818	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1115975"	159.114418	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1398498"	106.412037333333	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1431129"	319.263146	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"220219"	300.27264	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1512910"	333.31519	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"413691"	303.226588	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"780154"	439.351788	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1671017"	167.101388	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"256443"	608.516568	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1234620"	336.266168	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1721320"	336.289693	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1185580"	113.739351333333	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1662036"	341.245088	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"171084"	621.41984	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"610644"	893.67024	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1092970"	349.16944	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"155256"	311.213558	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"596759"	447.338758	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1080423"	175.088358	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1113631"	351.183992	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1348560"	351.271607	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1020615"	355.310776	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1536673"	356.304408	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1000932"	178.159026	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1595439"	357.219028	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1425475"	387.250538	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1151391"	198.672301	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1706410"	404.277085	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1640968"	409.23248	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584274"	425.20642	"C18225"	"9beta-Pimara-715-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"811358"	272.2504	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M"	0
"981614"	253.23201	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"77030"	180.492990666667	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"515983"	271.243124	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"885039"	89.7428573333333	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"10176"	271.243124	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"446456"	407.368324	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"828628"	135.117924	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"85343"	543.493524	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"525997"	815.743924	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"902706"	271.243124	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"58172"	560.520071	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"499918"	832.770471	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"877718"	288.269671	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"42338"	565.475466	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"476431"	837.725866	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"854238"	293.225066	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1629240"	293.225066	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"99206"	289.231463	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"537672"	425.356663	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"932280"	153.106263	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"274117"	579.470202	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"667632"	851.720602	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1278942"	307.219802	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"22592"	581.449406	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"466527"	853.699806	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"843236"	309.199006	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1562350"	309.199006	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"950233"	317.248594	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"364073"	589.499001	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"356341"	603.514651	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1498975"	331.264251	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"962143"	339.230551	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"125285"	307.219802	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"563751"	443.345002	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1035466"	171.094602	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1254674"	351.169285	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1313477"	353.225272	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1332066"	375.207229	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"924947"	385.235986	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1298739"	421.212664	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1369971"	237.237724	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1388933"	255.2477	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"290805"	545.508076	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"677392"	817.758476	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1354109"	273.257676	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"129184"	273.257676	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"569837"	409.382876	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1040095"	137.132476	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"208727"	182.507542666667	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"649380"	273.257676	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1163374"	91.7574093333333	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"426406"	562.534623	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"790679"	834.785023	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1683731"	290.284223	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"334197"	281.7709495	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"725532"	417.8961495	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1478620"	145.6457495	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"394257"	567.490018	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755742"	839.740418	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1603350"	295.239618	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"316062"	284.248647	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"707426"	420.373847	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1461653"	148.123447	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1053603"	99.0847233333333	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1257339"	305.283886	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"377240"	583.463958	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"738557"	855.714358	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1540311"	311.213558	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"298945"	292.235617	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"692097"	428.360817	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1445625"	156.110417	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"236341"	586.534626	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1210878"	314.284226	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1196222"	157.645751	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"189171"	589.47196	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"630841"	861.72236	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1132889"	317.22156	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"173423"	295.239618	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"613224"	431.364818	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1116452"	159.114418	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1398640"	106.412037333333	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1430183"	319.263146	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"221177"	300.27264	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1511927"	333.31519	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"413801"	303.226588	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"776984"	439.351788	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1667117"	167.101388	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"256553"	608.516568	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1232545"	336.266168	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1721431"	336.289693	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1185691"	113.739351333333	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1663605"	341.245088	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"169737"	621.41984	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"607473"	893.67024	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1095268"	349.16944	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"154273"	311.213558	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"589459"	447.338758	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1077254"	175.088358	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1112649"	351.183992	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1347941"	351.271607	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1018658"	355.310776	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1536784"	356.304408	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"996670"	178.159026	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1593363"	357.219028	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1423398"	387.250538	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1153688"	198.672301	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1698866"	404.277085	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1637798"	409.23248	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584384"	425.20642	"C18226"	"ent-Cassa-1215-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"811468"	272.2504	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M"	0
"982817"	253.23201	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"77262"	180.492990666667	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"516092"	271.243124	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"884055"	89.7428573333333	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"10285"	271.243124	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"448753"	407.368324	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"825457"	135.117924	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"87636"	543.493524	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"521732"	815.743924	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"905728"	271.243124	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"51721"	560.520071	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"492375"	832.770471	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"875642"	288.269671	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"34794"	565.475466	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"476542"	837.725866	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"853255"	293.225066	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1622785"	293.225066	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"99316"	289.231463	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"537783"	425.356663	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"933486"	153.106263	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"275323"	579.470202	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"668836"	851.720602	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1284526"	307.219802	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"27810"	581.449406	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"468828"	853.699806	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"842254"	309.199006	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1569025"	309.199006	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"951438"	317.248594	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"372935"	589.499001	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"353536"	603.514651	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1498359"	331.264251	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"962253"	339.230551	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"122839"	307.219802	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"564588"	443.345002	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1035210"	171.094602	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1255147"	351.169285	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1317233"	353.225272	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1332175"	375.207229	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"916674"	385.235986	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1295569"	421.212664	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1371544"	237.237724	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1393416"	255.2477	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"293104"	545.508076	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"683340"	817.758476	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1357499"	273.257676	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"131482"	273.257676	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"572136"	409.382876	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1047132"	137.132476	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209930"	182.507542666667	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"646574"	273.257676	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1168712"	91.7574093333333	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"426151"	562.534623	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"790790"	834.785023	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1683112"	290.284223	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"332486"	281.7709495	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"724908"	417.8961495	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1478365"	145.6457495	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"395217"	567.490018	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"754997"	839.740418	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1605771"	295.239618	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"316537"	284.248647	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"709323"	420.373847	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1462536"	148.123447	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1053140"	99.0847233333333	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1259526"	305.283886	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"381017"	583.463958	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"739825"	855.714358	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1541880"	311.213558	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"300878"	292.235617	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"693299"	428.360817	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1452236"	156.110417	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"238651"	586.534626	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1219014"	314.284226	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1200709"	157.645751	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"197955"	589.47196	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"633142"	861.72236	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1133368"	317.22156	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"173496"	295.239618	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"613258"	431.364818	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1115952"	159.114418	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1398829"	106.412037333333	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1430213"	319.263146	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"220031"	300.27264	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1511675"	333.31519	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"415005"	303.226588	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"782928"	439.351788	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1674520"	167.101388	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"261038"	608.516568	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1236300"	336.266168	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1723367"	336.289693	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1189813"	113.739351333333	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1661891"	341.245088	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"169118"	621.41984	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"612206"	893.67024	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1095378"	349.16944	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"154383"	311.213558	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"590662"	447.338758	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1081737"	175.088358	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1112758"	351.183992	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1344769"	351.271607	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1018769"	355.310776	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1535802"	356.304408	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1003346"	178.159026	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1592379"	357.219028	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1420228"	387.250538	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1154891"	198.672301	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1701164"	404.277085	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1637908"	409.23248	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584494"	425.20642	"C18228"	"ent-Pimara-8(14)15-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"811578"	272.2504	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M"	0
"986206"	253.23201	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"77370"	180.492990666667	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"516200"	271.243124	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"892910"	89.7428573333333	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"13672"	271.243124	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"449957"	407.368324	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"824473"	135.117924	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"87744"	543.493524	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"527307"	815.743924	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"900734"	271.243124	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"48551"	560.520071	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"489205"	832.770471	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"866275"	288.269671	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"37087"	565.475466	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"474464"	837.725866	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"853365"	293.225066	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1619980"	293.225066	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"99426"	289.231463	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"538987"	425.356663	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"934689"	153.106263	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"276525"	579.470202	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"668946"	851.720602	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1285364"	307.219802	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"28283"	581.449406	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"468574"	853.699806	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"843457"	309.199006	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1568771"	309.199006	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"951548"	317.248594	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"373045"	589.499001	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"355832"	603.514651	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1499562"	331.264251	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"965643"	339.230551	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"123313"	307.219802	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"563598"	443.345002	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1036041"	171.094602	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1255621"	351.169285	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1315880"	353.225272	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1333745"	375.207229	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"924437"	385.235986	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1294584"	421.212664	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1372747"	237.237724	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1393526"	255.2477	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"291026"	545.508076	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"685636"	817.758476	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1357609"	273.257676	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"130498"	273.257676	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"568236"	409.382876	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1046512"	137.132476	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"208946"	182.507542666667	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"650694"	273.257676	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1168822"	91.7574093333333	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"426626"	562.534623	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"789808"	834.785023	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1682494"	290.284223	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"333325"	281.7709495	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"725018"	417.8961495	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1477622"	145.6457495	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"394963"	567.490018	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755961"	839.740418	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1605153"	295.239618	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"320658"	284.248647	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"708582"	420.373847	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1463618"	148.123447	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1052784"	99.0847233333333	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1261825"	305.283886	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"382587"	583.463958	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"740300"	855.714358	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1540651"	311.213558	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"300989"	292.235617	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"692681"	428.360817	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1453439"	156.110417	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"242040"	586.534626	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1220217"	314.284226	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1203005"	157.645751	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"198065"	589.47196	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"635439"	861.72236	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1138945"	317.22156	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"173484"	295.239618	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"613528"	431.364818	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1116309"	159.114418	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1399103"	106.412037333333	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1434384"	319.263146	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"221895"	300.27264	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1511052"	333.31519	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"415115"	303.226588	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"780487"	439.351788	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1673537"	167.101388	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"258961"	608.516568	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1237138"	336.266168	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1722748"	336.289693	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1190287"	113.739351333333	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1662365"	341.245088	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"169229"	621.41984	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"608792"	893.67024	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1096581"	349.16944	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"153400"	311.213558	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"590773"	447.338758	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1080754"	175.088358	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1113840"	351.183992	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1343787"	351.271607	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1020703"	355.310776	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1538098"	356.304408	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1001267"	178.159026	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1592490"	357.219028	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1420337"	387.250538	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1154999"	198.672301	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1698115"	404.277085	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1635831"	409.23248	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584604"	425.20642	"C18229"	"Fusicocca-210(14)-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"811688"	374.2457	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M"	0
"985223"	355.22731	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-H2O-H"	-19.01839
"77930"	248.489857333333	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M-3H"	-3.021828
"518259"	373.238424	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M-3H"	-3.021828
"895373"	123.741290666667	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-3H"	-3.021828
"13423"	373.238424	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M-2H"	-2.014552
"453345"	560.361274	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M-2H"	-2.014552
"824583"	186.115574	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-2H"	-2.014552
"86762"	747.484124	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M-H"	-1.007276
"528511"	1121.729824	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M-H"	-1.007276
"906313"	373.238424	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-H"	-1.007276
"57047"	764.510671	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M-2H+NH4"	16.019271
"489437"	1138.756371	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M-2H+NH4"	16.019271
"870396"	390.264971	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-2H+NH4"	16.019271
"36107"	769.466066	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M-2H+Na"	20.974666
"473846"	1143.711766	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M-2H+Na"	20.974666
"857844"	395.220366	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-2H+Na"	20.974666
"1620819"	395.220366	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Na-2H"	20.974666
"100629"	391.226763	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M-H+Cl"	33.962126
"543472"	578.349613	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M-H+Cl"	33.962126
"933706"	204.103913	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-H+Cl"	33.962126
"276636"	783.460802	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+Cl"	34.969402
"672338"	1157.706502	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+Cl"	34.969402
"1285841"	409.215102	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Cl"	34.969402
"27300"	785.440006	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M-2H+K"	36.948606
"466862"	1159.685706	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M-2H+K"	36.948606
"843567"	411.194306	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-2H+K"	36.948606
"1568151"	411.194306	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+K-2H"	36.948606
"949471"	419.243894	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-H+HCOOH"	44.998194
"373155"	793.489601	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+HCOOH-H"	44.998201
"353756"	807.505251	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+Hac-H"	59.013851
"1501493"	433.259551	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Hac-H"	59.013851
"964660"	441.225851	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-H+NaCOOH"	66.980151
"121232"	409.215102	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+2Cl"	69.938804
"562977"	596.337952	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+2Cl"	69.938804
"1029587"	222.092252	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2Cl"	69.938804
"1254636"	453.164585	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Br"	78.918885
"1314533"	455.220572	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Cl+HCOOH"	80.974872
"1329116"	477.202529	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Cl+NaCOOH"	102.956829
"923454"	487.231286	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M-H+CF3COOH"	112.985586
"1294696"	523.207964	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Cl+CF3COOH"	148.962264
"1370670"	339.233024	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H-2H2O"	-35.012676
"1388164"	357.243	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H-H2O"	-17.0027
"290408"	749.498676	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+H"	1.007276
"681371"	1123.744376	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+H"	1.007276
"1354439"	375.252976	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H"	1.007276
"133888"	375.252976	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+2H"	2.014552
"570167"	562.375826	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+2H"	2.014552
"1039697"	188.130126	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2H"	2.014552
"206869"	250.504409333333	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+3H"	3.021828
"651897"	375.252976	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+3H"	3.021828
"1165647"	125.755842666667	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+3H"	3.021828
"426733"	766.525223	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+NH4"	18.033823
"787730"	1140.770923	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+NH4"	18.033823
"1685155"	392.279523	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+NH4"	18.033823
"333436"	383.7662495	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+H+NH4"	19.041099
"723669"	570.8890995	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+H+NH4"	19.041099
"1481870"	196.6433995	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H+NH4"	19.041099
"394707"	771.480618	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+Na"	22.989218
"755465"	1145.726318	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+Na"	22.989218
"1602954"	397.234918	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Na"	22.989218
"315663"	386.243947	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+H+Na"	23.996494
"708815"	573.366797	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+H+Na"	23.996494
"1463000"	199.121097	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H+Na"	23.996494
"1053157"	133.083156666667	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2H+Na"	25.00377
"1261934"	407.279186	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+CH3OH+H"	33.033486
"380146"	787.454558	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+K"	38.963158
"742233"	1161.700258	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+K"	38.963158
"1541734"	413.208858	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+K"	38.963158
"300733"	394.230917	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+H+K"	39.970434
"692547"	581.353767	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+H+K"	39.970434
"1456828"	207.108067	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H+K"	39.970434
"243243"	790.525226	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+ACN+H"	42.033826
"1215951"	416.279526	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+ACN+H"	42.033826
"1203115"	208.643401	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+ACN+2H"	43.041102
"192708"	793.46256	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+2Na-H"	44.97116
"635549"	1167.70826	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+2Na-H"	44.97116
"1139055"	419.21686	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2Na-H"	44.97116
"175412"	397.234918	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+2Na"	45.978436
"615214"	584.357768	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+2Na"	45.978436
"1118599"	210.112068	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2Na"	45.978436
"1399455"	140.410470666667	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H+2Na"	46.985712
"1431454"	421.258446	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H+HCOOH"	47.012746
"222005"	402.26794	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+3H2O+2H"	56.04448
"1509338"	435.31049	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+IsoProp+H"	61.06479
"415225"	405.221888	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+Na+K"	61.952376
"779504"	592.344738	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+Na+K"	61.952376
"1672554"	218.099038	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Na+K"	61.952376
"262352"	812.507168	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+ACN+Na"	64.015768
"1237248"	438.261468	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+ACN+Na"	64.015768
"1721764"	438.284993	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+NH4+HCOOH"	64.039293
"1187847"	147.737784666667	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+3Na"	68.967654
"1663204"	443.240388	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Na+HCOOH"	68.994688
"169338"	825.41044	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+2K-H"	76.91904
"611089"	1199.65614	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+2K-H"	76.91904
"1098517"	451.16474	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2K-H"	76.91904
"153511"	413.208858	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"2M+2K"	77.926316
"594162"	600.331708	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"3M+2K"	77.926316
"1080865"	226.086008	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2K"	77.926316
"1113829"	453.179292	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2K+H"	78.933592
"1346085"	453.266907	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+DMSO+H"	79.021207
"1019839"	457.306076	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2ACN+H"	83.060376
"1536022"	458.299708	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+IsoProp+Na+H"	84.054008
"1001379"	229.156676	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+2ACN+2H"	84.067652
"1594786"	459.214328	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+K+HCOOH"	84.968628
"1420445"	489.245838	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+H+CF3COOH"	115.000138
"1154016"	249.669951	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+3ACN+2H"	125.094202
"1699197"	506.272385	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+NH4+CF3COOH"	132.026685
"1639221"	511.22778	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+Na+CF3COOH"	136.98208
"1584714"	527.20172	"C18230"	"Calcitroic acid"	"C23H34O4"	"374.2457"	"M+K+CF3COOH"	152.95602
"811798"	432.324	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M"	0
"989729"	413.30561	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-H2O-H"	-19.01839
"78342"	287.208724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M-3H"	-3.021828
"517149"	431.316724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M-3H"	-3.021828
"895484"	143.100724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-3H"	-3.021828
"15472"	431.316724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M-2H"	-2.014552
"453453"	647.478724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M-2H"	-2.014552
"830160"	215.154724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-2H"	-2.014552
"90152"	863.640724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M-H"	-1.007276
"531900"	1295.964724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M-H"	-1.007276
"906423"	431.316724	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-H"	-1.007276
"52052"	880.667271	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M-2H+NH4"	16.019271
"492706"	1312.991271	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M-2H+NH4"	16.019271
"868318"	448.343271	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-2H+NH4"	16.019271
"35850"	885.622666	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M-2H+Na"	20.974666
"473711"	1317.946666	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M-2H+Na"	20.974666
"850298"	453.298666	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-2H+Na"	20.974666
"1619589"	453.298666	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Na-2H"	20.974666
"98552"	449.305063	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M-H+Cl"	33.962126
"544675"	665.467063	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M-H+Cl"	33.962126
"936001"	233.143063	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-H+Cl"	33.962126
"278932"	899.617402	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+Cl"	34.969402
"675122"	1331.941402	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+Cl"	34.969402
"1286318"	467.293402	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Cl"	34.969402
"29596"	901.596606	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M-2H+K"	36.948606
"467701"	1333.920606	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M-2H+K"	36.948606
"841490"	469.272606	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-2H+K"	36.948606
"1569720"	469.272606	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+K-2H"	36.948606
"952862"	477.322194	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-H+HCOOH"	44.998194
"376181"	909.646201	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+HCOOH-H"	44.998201
"354959"	923.661851	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+Hac-H"	59.013851
"1502333"	491.337851	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Hac-H"	59.013851
"965133"	499.304151	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-H+NaCOOH"	66.980151
"120249"	467.293402	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+2Cl"	69.938804
"563087"	683.455402	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+2Cl"	69.938804
"1031883"	251.131402	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2Cl"	69.938804
"1254382"	511.242885	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Br"	78.918885
"1315007"	513.298872	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Cl+HCOOH"	80.974872
"1329226"	535.280829	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Cl+NaCOOH"	102.956829
"923565"	545.309586	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M-H+CF3COOH"	112.985586
"1294806"	581.286264	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Cl+CF3COOH"	148.962264
"1370050"	397.311324	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H-2H2O"	-35.012676
"1386452"	415.3213	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H-H2O"	-17.0027
"291246"	865.655276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+H"	1.007276
"679655"	1297.979276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+H"	1.007276
"1355641"	433.331276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H"	1.007276
"129258"	433.331276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+2H"	2.014552
"567727"	649.493276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+2H"	2.014552
"1038350"	217.169276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2H"	2.014552
"208073"	289.223276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+3H"	3.021828
"648727"	433.331276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+3H"	3.021828
"1164176"	145.115276	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+3H"	3.021828
"426112"	882.681823	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+NH4"	18.033823
"786745"	1315.005823	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+NH4"	18.033823
"1683807"	450.357823	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+NH4"	18.033823
"332088"	441.8445495	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+H+NH4"	19.041099
"723416"	658.0065495	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+H+NH4"	19.041099
"1481979"	225.6825495	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H+NH4"	19.041099
"394331"	887.637218	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+Na"	22.989218
"754845"	1319.961218	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+Na"	22.989218
"1604035"	455.313218	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Na"	22.989218
"314798"	444.322247	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+H+Na"	23.996494
"708196"	660.484247	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+H+Na"	23.996494
"1461768"	228.160247	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H+Na"	23.996494
"1052826"	152.44259	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2H+Na"	25.00377
"1260951"	465.357486	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+CH3OH+H"	33.033486
"380256"	903.611158	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+K"	38.963158
"740158"	1335.935158	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+K"	38.963158
"1541112"	471.287158	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+K"	38.963158
"299385"	452.309217	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+H+K"	39.970434
"691806"	668.471217	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+H+K"	39.970434
"1456938"	236.147217	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H+K"	39.970434
"246633"	906.681826	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+ACN+H"	42.033826
"1216061"	474.357826	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+ACN+H"	42.033826
"1202132"	237.682551	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+ACN+2H"	43.041102
"198284"	909.61916	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+2Na-H"	44.97116
"636752"	1341.94316	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+2Na-H"	44.97116
"1138072"	477.29516	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2Na-H"	44.97116
"174794"	455.313218	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+2Na"	45.978436
"614111"	671.475218	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+2Na"	45.978436
"1116889"	239.151218	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2Na"	45.978436
"1400418"	159.769904	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H+2Na"	46.985712
"1432415"	479.336746	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H+HCOOH"	47.012746
"221383"	460.34624	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+3H2O+2H"	56.04448
"1509327"	493.38879	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+IsoProp+H"	61.06479
"415335"	463.300188	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+Na+K"	61.952376
"779614"	679.462188	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+Na+K"	61.952376
"1675943"	247.138188	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Na+K"	61.952376
"261369"	928.663768	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+ACN+Na"	64.015768
"1234077"	496.339768	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+ACN+Na"	64.015768
"1724789"	496.363293	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+NH4+HCOOH"	64.039293
"1189413"	167.097218	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+3Na"	68.967654
"1660398"	501.318688	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Na+HCOOH"	68.994688
"171028"	941.56704	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+2K-H"	76.91904
"611199"	1373.89104	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+2K-H"	76.91904
"1099438"	509.24304	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2K-H"	76.91904
"154714"	471.287158	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"2M+2K"	77.926316
"596461"	687.449158	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"3M+2K"	77.926316
"1083040"	255.125158	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2K"	77.926316
"1115156"	511.257592	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2K+H"	78.933592
"1347288"	511.345207	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+DMSO+H"	79.021207
"1020070"	515.384376	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2ACN+H"	83.060376
"1538929"	516.378008	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+IsoProp+Na+H"	84.054008
"1000397"	258.195826	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+2ACN+2H"	84.067652
"1598177"	517.292628	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+K+HCOOH"	84.968628
"1427117"	547.324138	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+H+CF3COOH"	115.000138
"1155219"	278.709101	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+3ACN+2H"	125.094202
"1702584"	564.350685	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+NH4+CF3COOH"	132.026685
"1634343"	569.30608	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+Na+CF3COOH"	136.98208
"1574982"	585.28002	"C18231"	"Calcitetrol;1alpha24R25-Trihydroxyvitamin D3;(1S3R5Z7E24R25)-910-Secocholesta-5710(19)-triene-132425-tetrol"	"C27H44O4"	"432.324"	"M+K+CF3COOH"	152.95602
"811908"	143.0219	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M"	0
"989797"	124.00351	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-H2O-H"	-19.01839
"78459"	94.3406573333333	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M-3H"	-3.021828
"518429"	142.014624	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M-3H"	-3.021828
"895593"	46.6666906666667	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-3H"	-3.021828
"15687"	142.014624	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M-2H"	-2.014552
"451382"	213.525574	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M-2H"	-2.014552
"830273"	70.503674	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-2H"	-2.014552
"93182"	285.036524	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M-H"	-1.007276
"532017"	428.058424	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M-H"	-1.007276
"909816"	142.014624	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-H"	-1.007276
"59817"	302.063071	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M-2H+NH4"	16.019271
"499376"	445.084971	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M-2H+NH4"	16.019271
"873899"	159.041171	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-2H+NH4"	16.019271
"45933"	307.018466	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M-2H+Na"	20.974666
"475159"	450.040366	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M-2H+Na"	20.974666
"859157"	163.996566	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-2H+Na"	20.974666
"1626509"	163.996566	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Na-2H"	20.974666
"103038"	160.002963	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M-H+Cl"	33.962126
"546247"	231.513913	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M-H+Cl"	33.962126
"936114"	88.492013	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-H+Cl"	33.962126
"279043"	321.013202	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+Cl"	34.969402
"673654"	464.035102	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+Cl"	34.969402
"1286426"	177.991302	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Cl"	34.969402
"29343"	322.992406	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M-2H+K"	36.948606
"470003"	466.014306	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M-2H+K"	36.948606
"846705"	179.970506	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-2H+K"	36.948606
"1570197"	179.970506	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+K-2H"	36.948606
"955888"	188.020094	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-H+HCOOH"	44.998194
"375927"	331.042001	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+HCOOH-H"	44.998201
"356892"	345.057651	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+Hac-H"	59.013851
"1503901"	202.035751	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Hac-H"	59.013851
"962693"	210.002051	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-H+NaCOOH"	66.980151
"124007"	177.991302	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+2Cl"	69.938804
"561011"	249.502252	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+2Cl"	69.938804
"1029807"	106.480352	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2Cl"	69.938804
"1250479"	221.940785	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Br"	78.918885
"1317669"	223.996772	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Cl+HCOOH"	80.974872
"1333711"	245.978729	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Cl+NaCOOH"	102.956829
"923676"	256.007486	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M-H+CF3COOH"	112.985586
"1297103"	291.984164	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Cl+CF3COOH"	148.962264
"1372348"	108.009224	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H-2H2O"	-35.012676
"1387656"	126.0192	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H-H2O"	-17.0027
"292451"	287.051076	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+H"	1.007276
"681590"	430.072976	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+H"	1.007276
"1355387"	144.029176	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H"	1.007276
"129004"	144.029176	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+2H"	2.014552
"573307"	215.540126	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+2H"	2.014552
"1043563"	72.518226	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2H"	2.014552
"207090"	96.3552093333333	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+3H"	3.021828
"646651"	144.029176	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+3H"	3.021828
"1164044"	48.6812426666667	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+3H"	3.021828
"424641"	304.077623	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+NH4"	18.033823
"785679"	447.099523	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+NH4"	18.033823
"1684282"	161.055723	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+NH4"	18.033823
"332563"	152.5424495	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+H+NH4"	19.041099
"726083"	224.0533995	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+H+NH4"	19.041099
"1482090"	81.0314995	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H+NH4"	19.041099
"394812"	309.033018	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+Na"	22.989218
"758481"	452.054918	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+Na"	22.989218
"1604269"	166.011118	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Na"	22.989218
"314748"	155.020147	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+H+Na"	23.996494
"707287"	226.531097	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+H+Na"	23.996494
"1461473"	83.509197	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H+Na"	23.996494
"1052779"	56.0085566666667	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2H+Na"	25.00377
"1259239"	176.055386	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+CH3OH+H"	33.033486
"379637"	325.006958	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+K"	38.963158
"740997"	468.028858	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+K"	38.963158
"1540495"	181.985058	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+K"	38.963158
"299001"	163.007117	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+H+K"	39.970434
"693011"	234.518067	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+H+K"	39.970434
"1458141"	91.496167	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H+K"	39.970434
"241275"	328.077626	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+ACN+H"	42.033826
"1214349"	185.055726	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+ACN+H"	42.033826
"1197138"	93.031501	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+ACN+2H"	43.041102
"192197"	331.01496	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+2Na-H"	44.97116
"631758"	474.03686	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+2Na-H"	44.97116
"1132713"	187.99306	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2Na-H"	44.97116
"172858"	166.011118	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+2Na"	45.978436
"613730"	237.522068	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+2Na"	45.978436
"1116142"	94.500168	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2Na"	45.978436
"1398541"	63.3358706666667	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H+2Na"	46.985712
"1430700"	190.034646	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H+HCOOH"	47.012746
"221491"	171.04414	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+3H2O+2H"	56.04448
"1512475"	204.08669	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+IsoProp+H"	61.06479
"411434"	173.998088	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+Na+K"	61.952376
"782639"	245.509038	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+Na+K"	61.952376
"1677146"	102.487138	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Na+K"	61.952376
"263301"	350.059568	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+ACN+Na"	64.015768
"1235280"	207.037668	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+ACN+Na"	64.015768
"1725265"	207.061193	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+NH4+HCOOH"	64.039293
"1191711"	70.6631846666667	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+3Na"	68.967654
"1663788"	212.016588	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Na+HCOOH"	68.994688
"169557"	362.96284	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+2K-H"	76.91904
"612362"	505.98474	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+2K-H"	76.91904
"1099342"	219.94094	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2K-H"	76.91904
"156405"	181.985058	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"2M+2K"	77.926316
"595842"	253.496008	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"3M+2K"	77.926316
"1082187"	110.474108	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2K"	77.926316
"1114659"	221.955492	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2K+H"	78.933592
"1349099"	222.043107	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+DMSO+H"	79.021207
"1020548"	226.082276	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2ACN+H"	83.060376
"1539159"	227.075908	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+IsoProp+Na+H"	84.054008
"1000507"	113.544776	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+2ACN+2H"	84.067652
"1599380"	227.990528	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+K+HCOOH"	84.968628
"1423947"	258.022038	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+H+CF3COOH"	115.000138
"1161889"	134.058051	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+3ACN+2H"	125.094202
"1703787"	275.048585	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+NH4+CF3COOH"	132.026685
"1635067"	280.00398	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+Na+CF3COOH"	136.98208
"1575092"	295.97792	"C18232"	"N-Formylmaleamic acid"	"C5H5NO4"	"143.0219"	"M+K+CF3COOH"	152.95602
"810928"	516.1625	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M"	0
"988719"	497.14411	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-H2O-H"	-19.01839
"78468"	343.101057333333	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M-3H"	-3.021828
"513359"	515.155224	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M-3H"	-3.021828
"895054"	171.046890666667	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-3H"	-3.021828
"8648"	515.155224	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M-2H"	-2.014552
"444197"	773.236474	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M-2H"	-2.014552
"831358"	257.073974	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-2H"	-2.014552
"91102"	1031.317724	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M-H"	-1.007276
"529932"	1547.480224	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M-H"	-1.007276
"908827"	515.155224	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-H"	-1.007276
"57734"	1048.344271	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M-2H+NH4"	16.019271
"498388"	1564.506771	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M-2H+NH4"	16.019271
"876189"	532.181771	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-2H+NH4"	16.019271
"36439"	1053.299666	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M-2H+Na"	20.974666
"479286"	1569.462166	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M-2H+Na"	20.974666
"854900"	537.137166	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-2H+Na"	20.974666
"1627714"	537.137166	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Na-2H"	20.974666
"105337"	533.143563	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M-H+Cl"	33.962126
"545993"	791.224813	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M-H+Cl"	33.962126
"938779"	275.062313	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-H+Cl"	33.962126
"277699"	1067.294402	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+Cl"	34.969402
"671217"	1583.456902	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+Cl"	34.969402
"1283981"	551.131902	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Cl"	34.969402
"28360"	1069.273606	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M-2H+K"	36.948606
"467920"	1585.436106	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M-2H+K"	36.948606
"845721"	553.111106	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-2H+K"	36.948606
"1568483"	553.111106	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+K-2H"	36.948606
"956003"	561.160694	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-H+HCOOH"	44.998194
"374950"	1077.323201	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+HCOOH-H"	44.998201
"358466"	1091.338851	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+Hac-H"	59.013851
"1498548"	575.176351	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Hac-H"	59.013851
"970463"	583.142651	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-H+NaCOOH"	66.980151
"118277"	551.131902	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+2Cl"	69.938804
"564037"	809.213152	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+2Cl"	69.938804
"1034663"	293.050652	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2Cl"	69.938804
"1256432"	595.081385	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Br"	78.918885
"1316324"	597.137372	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Cl+HCOOH"	80.974872
"1326166"	619.119329	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Cl+NaCOOH"	102.956829
"917224"	629.148086	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M-H+CF3COOH"	112.985586
"1298310"	665.124764	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Cl+CF3COOH"	148.962264
"1379025"	481.149824	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H-2H2O"	-35.012676
"1389597"	499.1598	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H-H2O"	-17.0027
"297790"	1033.332276	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+H"	1.007276
"683890"	1549.494776	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+H"	1.007276
"1362791"	517.169776	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H"	1.007276
"132034"	517.169776	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+2H"	2.014552
"573783"	775.251026	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+2H"	2.014552
"1048050"	259.088526	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2H"	2.014552
"207203"	345.115609333333	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+3H"	3.021828
"645667"	517.169776	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+3H"	3.021828
"1162857"	173.061442666667	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+3H"	3.021828
"434726"	1050.358823	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+NH4"	18.033823
"792442"	1566.521323	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+NH4"	18.033823
"1681641"	534.196323	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+NH4"	18.033823
"338141"	525.6830495	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+H+NH4"	19.041099
"723636"	783.7642995	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+H+NH4"	19.041099
"1477818"	267.6017995	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H+NH4"	19.041099
"392839"	1055.314218	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+Na"	22.989218
"759685"	1571.476718	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+Na"	22.989218
"1603159"	539.151718	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Na"	22.989218
"314296"	528.160747	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+H+Na"	23.996494
"707162"	786.241997	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+H+Na"	23.996494
"1462096"	270.079497	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H+Na"	23.996494
"1052957"	180.388756666667	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2H+Na"	25.00377
"1258618"	549.195986	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+CH3OH+H"	33.033486
"379751"	1071.288158	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+K"	38.963158
"740375"	1587.450658	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+K"	38.963158
"1540077"	555.125658	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+K"	38.963158
"306544"	536.147717	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+H+K"	39.970434
"695682"	794.228967	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+H+K"	39.970434
"1458258"	278.066467	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H+K"	39.970434
"245765"	1074.358826	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+ACN+H"	42.033826
"1216288"	558.196326	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+ACN+H"	42.033826
"1199442"	279.601801	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+ACN+2H"	43.041102
"196321"	1077.29616	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+2Na-H"	44.97116
"631504"	1593.45866	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+2Na-H"	44.97116
"1131403"	561.13366	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2Na-H"	44.97116
"178305"	539.151718	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+2Na"	45.978436
"617866"	797.232968	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+2Na"	45.978436
"1117361"	281.070468	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2Na"	45.978436
"1404167"	187.716070666667	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H+2Na"	46.985712
"1433738"	563.175246	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H+HCOOH"	47.012746
"229995"	544.18474	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+3H2O+2H"	56.04448
"1514777"	577.22729	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+IsoProp+H"	61.06479
"417745"	547.138688	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+Na+K"	61.952376
"781657"	805.219938	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+Na+K"	61.952376
"1675072"	289.057438	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Na+K"	61.952376
"260498"	1096.340768	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+ACN+Na"	64.015768
"1236488"	580.178268	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+ACN+Na"	64.015768
"1722096"	580.201793	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+NH4+HCOOH"	64.039293
"1191825"	195.043384666667	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+3Na"	68.967654
"1661716"	585.157188	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Na+HCOOH"	68.994688
"167483"	1109.24404	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+2K-H"	76.91904
"608139"	1625.40654	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+2K-H"	76.91904
"1099212"	593.08154	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2K-H"	76.91904
"150563"	555.125658	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"2M+2K"	77.926316
"597079"	813.206908	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"3M+2K"	77.926316
"1084158"	297.044408	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2K"	77.926316
"1115596"	595.096092	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2K+H"	78.933592
"1350180"	595.183707	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+DMSO+H"	79.021207
"1018224"	599.222876	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2ACN+H"	83.060376
"1529790"	600.216508	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+IsoProp+Na+H"	84.054008
"996240"	300.115076	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+2ACN+2H"	84.067652
"1590742"	601.131128	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+K+HCOOH"	84.968628
"1418590"	631.162638	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+H+CF3COOH"	115.000138
"1148880"	320.628351	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+3ACN+2H"	125.094202
"1700617"	648.189185	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+NH4+CF3COOH"	132.026685
"1634284"	653.14458	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+Na+CF3COOH"	136.98208
"1585045"	669.11852	"C18235"	"S-(Hydroxymethyl)mycothiol"	"C18H32N2O13S"	"516.1625"	"M+K+CF3COOH"	152.95602
"812131"	213.8911	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M"	0
"988704"	194.87271	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-H2O-H"	-19.01839
"78313"	141.586790666667	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M-3H"	-3.021828
"515656"	212.883824	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M-3H"	-3.021828
"895284"	70.2897573333333	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-3H"	-3.021828
"8752"	212.883824	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M-2H"	-2.014552
"442121"	319.829374	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M-2H"	-2.014552
"829397"	105.938274	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-2H"	-2.014552
"91213"	426.774924	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M-H"	-1.007276
"530042"	640.666024	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M-H"	-1.007276
"905657"	212.883824	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-H"	-1.007276
"53469"	443.801471	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M-2H+NH4"	16.019271
"499230"	657.692571	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M-2H+NH4"	16.019271
"875207"	229.910371	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-2H+NH4"	16.019271
"35456"	448.756866	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M-2H+Na"	20.974666
"483412"	662.647966	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M-2H+Na"	20.974666
"863035"	234.865766	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-2H+Na"	20.974666
"1629652"	234.865766	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Na-2H"	20.974666
"108004"	230.872163	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M-H+Cl"	33.962126
"549396"	337.817713	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M-H+Cl"	33.962126
"941078"	123.926613	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-H+Cl"	33.962126
"278539"	462.751602	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+Cl"	34.969402
"673517"	676.642702	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+Cl"	34.969402
"1285555"	248.860502	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Cl"	34.969402
"28476"	464.730806	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M-2H+K"	36.948606
"468031"	678.621906	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M-2H+K"	36.948606
"845838"	250.839706	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-2H+K"	36.948606
"1570792"	250.839706	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+K-2H"	36.948606
"958347"	258.889294	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-H+HCOOH"	44.998194
"373603"	472.780401	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+HCOOH-H"	44.998201
"358575"	486.796051	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+Hac-H"	59.013851
"1505225"	272.904951	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Hac-H"	59.013851
"970211"	280.871251	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-H+NaCOOH"	66.980151
"122037"	248.860502	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+2Cl"	69.938804
"560136"	355.806052	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+2Cl"	69.938804
"1034408"	141.914952	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2Cl"	69.938804
"1254351"	292.809985	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Br"	78.918885
"1314245"	294.865972	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Cl+HCOOH"	80.974872
"1328099"	316.847929	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Cl+NaCOOH"	102.956829
"919524"	326.876686	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M-H+CF3COOH"	112.985586
"1295137"	362.853364	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Cl+CF3COOH"	148.962264
"1372568"	178.878424	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H-2H2O"	-35.012676
"1398217"	196.8884	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H-H2O"	-17.0027
"298265"	428.789476	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+H"	1.007276
"685093"	642.680576	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+H"	1.007276
"1362172"	214.898376	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H"	1.007276
"132873"	214.898376	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+2H"	2.014552
"573893"	321.843926	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+2H"	2.014552
"1048160"	107.952826	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2H"	2.014552
"208406"	143.601342666667	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+3H"	3.021828
"646141"	214.898376	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+3H"	3.021828
"1163778"	72.3043093333333	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+3H"	3.021828
"432649"	445.816023	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+NH4"	18.033823
"793645"	659.707123	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+NH4"	18.033823
"1683415"	231.924923	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+NH4"	18.033823
"336065"	223.4116495	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+H+NH4"	19.041099
"723383"	330.3571995	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+H+NH4"	19.041099
"1477598"	116.4660995	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H+NH4"	19.041099
"393524"	450.771418	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+Na"	22.989218
"757608"	664.662518	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+Na"	22.989218
"1602986"	236.880318	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Na"	22.989218
"314763"	225.889347	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+H+Na"	23.996494
"707791"	332.834897	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+H+Na"	23.996494
"1461604"	118.943797	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H+Na"	23.996494
"1053398"	79.6316233333333	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2H+Na"	25.00377
"1259095"	246.924586	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+CH3OH+H"	33.033486
"379129"	466.745358	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+K"	38.963158
"740484"	680.636458	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+K"	38.963158
"1541444"	252.854258	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+K"	38.963158
"307747"	233.876317	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+H+K"	39.970434
"695792"	340.821867	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+H+K"	39.970434
"1458368"	126.930767	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H+K"	39.970434
"245875"	469.816026	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+ACN+H"	42.033826
"1216398"	255.924926	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+ACN+H"	42.033826
"1200645"	128.466101	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+ACN+2H"	43.041102
"195337"	472.75336	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+2Na-H"	44.97116
"631247"	686.64446	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+2Na-H"	44.97116
"1131720"	258.86226	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2Na-H"	44.97116
"178415"	236.880318	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+2Na"	45.978436
"618340"	343.825868	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+2Na"	45.978436
"1120387"	129.934768	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2Na"	45.978436
"1404277"	86.9589373333333	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H+2Na"	46.985712
"1432022"	260.903846	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H+HCOOH"	47.012746
"224637"	241.91334	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+3H2O+2H"	56.04448
"1510875"	274.95589	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+IsoProp+H"	61.06479
"410925"	244.867288	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+Na+K"	61.952376
"777755"	351.812838	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+Na+K"	61.952376
"1675181"	137.921738	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Na+K"	61.952376
"260608"	491.797968	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+ACN+Na"	64.015768
"1234411"	277.906868	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+ACN+Na"	64.015768
"1724390"	277.930393	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+NH4+HCOOH"	64.039293
"1189746"	94.2862513333333	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+3Na"	68.967654
"1659639"	282.885788	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Na+HCOOH"	68.994688
"166500"	504.70124	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+2K-H"	76.91904
"610436"	718.59234	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+2K-H"	76.91904
"1098959"	290.81014	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2K-H"	76.91904
"150673"	252.854258	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"2M+2K"	77.926316
"590232"	359.799808	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"3M+2K"	77.926316
"1079117"	145.908708	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2K"	77.926316
"1113298"	292.824692	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2K+H"	78.933592
"1350656"	292.912307	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+DMSO+H"	79.021207
"1020401"	296.951476	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2ACN+H"	83.060376
"1527713"	297.945108	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+IsoProp+Na+H"	84.054008
"995257"	148.979376	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+2ACN+2H"	84.067652
"1591947"	298.859728	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+K+HCOOH"	84.968628
"1416514"	328.891238	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+H+CF3COOH"	115.000138
"1148989"	169.492651	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+3ACN+2H"	125.094202
"1699636"	345.917785	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+NH4+CF3COOH"	132.026685
"1634314"	350.87318	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+Na+CF3COOH"	136.98208
"1585155"	366.84712	"C18236"	"1234-Tetrachlorobenzene"	"C6H2Cl4"	"213.8911"	"M+K+CF3COOH"	152.95602
"816616"	522.8919	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M"	0
"989306"	503.87351	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-H2O-H"	-19.01839
"78236"	347.587324	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M-3H"	-3.021828
"517964"	521.884624	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M-3H"	-3.021828
"894915"	173.290024	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-3H"	-3.021828
"12144"	521.884624	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M-2H"	-2.014552
"454623"	783.330574	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M-2H"	-2.014552
"829874"	260.438674	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-2H"	-2.014552
"89498"	1044.776524	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M-H"	-1.007276
"531975"	1567.668424	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M-H"	-1.007276
"908686"	521.884624	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-H"	-1.007276
"59048"	1061.803071	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M-2H+NH4"	16.019271
"500433"	1584.694971	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M-2H+NH4"	16.019271
"875317"	538.911171	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-2H+NH4"	16.019271
"33379"	1066.758466	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M-2H+Na"	20.974666
"486328"	1589.650366	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M-2H+Na"	20.974666
"863268"	543.866566	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-2H+Na"	20.974666
"1631585"	543.866566	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Na-2H"	20.974666
"105196"	539.872963	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M-H+Cl"	33.962126
"547673"	801.318913	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M-H+Cl"	33.962126
"942288"	278.427013	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-H+Cl"	33.962126
"282423"	1080.753202	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+Cl"	34.969402
"674356"	1603.645102	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+Cl"	34.969402
"1286635"	557.861302	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Cl"	34.969402
"31145"	1082.732406	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M-2H+K"	36.948606
"469967"	1605.624306	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M-2H+K"	36.948606
"846676"	559.840506	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-2H+K"	36.948606
"1569930"	559.840506	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+K-2H"	36.948606
"956962"	567.890094	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-H+HCOOH"	44.998194
"375660"	1090.782001	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+HCOOH-H"	44.998201
"358323"	1104.797651	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+Hac-H"	59.013851
"1504972"	581.905751	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Hac-H"	59.013851
"973247"	589.872051	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-H+NaCOOH"	66.980151
"119960"	557.861302	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+2Cl"	69.938804
"559153"	819.307252	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+2Cl"	69.938804
"1034883"	296.415352	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2Cl"	69.938804
"1256292"	601.810785	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Br"	78.918885
"1316545"	603.866772	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Cl+HCOOH"	80.974872
"1328938"	625.848729	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Cl+NaCOOH"	102.956829
"920729"	635.877486	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M-H+CF3COOH"	112.985586
"1297437"	671.854164	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Cl+CF3COOH"	148.962264
"1374867"	487.879224	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H-2H2O"	-35.012676
"1396012"	505.8892	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H-H2O"	-17.0027
"298504"	1046.791076	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+H"	1.007276
"690431"	1569.682976	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+H"	1.007276
"1363376"	523.899176	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H"	1.007276
"135171"	523.899176	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+2H"	2.014552
"574003"	785.345126	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+2H"	2.014552
"1049363"	262.453226	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2H"	2.014552
"211795"	349.601876	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+3H"	3.021828
"645280"	523.899176	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+3H"	3.021828
"1163281"	175.304576	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+3H"	3.021828
"436040"	1063.817623	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+NH4"	18.033823
"799951"	1586.709523	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+NH4"	18.033823
"1692272"	540.925723	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+NH4"	18.033823
"339457"	532.4124495	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+H+NH4"	19.041099
"724589"	793.8583995	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+H+NH4"	19.041099
"1479137"	270.9664995	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H+NH4"	19.041099
"394900"	1068.773018	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+Na"	22.989218
"757719"	1591.664918	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+Na"	22.989218
"1608002"	545.881118	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Na"	22.989218
"314876"	534.890147	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+H+Na"	23.996494
"707456"	796.336097	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+H+Na"	23.996494
"1462205"	273.444197	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H+Na"	23.996494
"1054001"	182.63189	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2H+Na"	25.00377
"1258112"	555.925386	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+CH3OH+H"	33.033486
"378874"	1084.746958	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+K"	38.963158
"740234"	1607.638858	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+K"	38.963158
"1541556"	561.855058	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+K"	38.963158
"299700"	542.877117	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+H+K"	39.970434
"700277"	804.323067	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+H+K"	39.970434
"1459571"	281.431167	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H+K"	39.970434
"245987"	1087.817626	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+ACN+H"	42.033826
"1220883"	564.925726	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+ACN+H"	42.033826
"1203671"	282.966501	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+ACN+2H"	43.041102
"197635"	1090.75496	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+2Na-H"	44.97116
"636101"	1613.64686	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+2Na-H"	44.97116
"1141798"	567.86306	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2Na-H"	44.97116
"178891"	545.881118	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+2Na"	45.978436
"621367"	807.327068	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+2Na"	45.978436
"1123049"	284.435168	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2Na"	45.978436
"1404387"	189.959204	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H+2Na"	46.985712
"1433229"	569.904646	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H+HCOOH"	47.012746
"222316"	550.91414	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+3H2O+2H"	56.04448
"1508877"	583.95669	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+IsoProp+H"	61.06479
"411401"	553.868088	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+Na+K"	61.952376
"772031"	815.314038	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+Na+K"	61.952376
"1670914"	292.422138	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Na+K"	61.952376
"258528"	1109.799568	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+ACN+Na"	64.015768
"1234519"	586.907668	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+ACN+Na"	64.015768
"1724499"	586.931193	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+NH4+HCOOH"	64.039293
"1192043"	197.286518	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+3Na"	68.967654
"1660842"	591.886588	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Na+HCOOH"	68.994688
"167704"	1122.70284	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+2K-H"	76.91904
"608360"	1645.59474	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+2K-H"	76.91904
"1097490"	599.81094	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2K-H"	76.91904
"150783"	561.855058	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"2M+2K"	77.926316
"590342"	823.301008	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"3M+2K"	77.926316
"1078134"	300.409108	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2K"	77.926316
"1109155"	601.825492	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2K+H"	78.933592
"1345541"	601.913107	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+DMSO+H"	79.021207
"1020387"	605.952276	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2ACN+H"	83.060376
"1527824"	606.945908	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+IsoProp+Na+H"	84.054008
"994274"	303.479776	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+2ACN+2H"	84.067652
"1590963"	607.860528	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+K+HCOOH"	84.968628
"1415530"	637.892038	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+H+CF3COOH"	115.000138
"1149099"	323.993051	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+3ACN+2H"	125.094202
"1697679"	654.918585	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+NH4+CF3COOH"	132.026685
"1634261"	659.87398	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+Na+CF3COOH"	136.98208
"1585265"	675.84792	"C18237"	"Molybdoenzyme molybdenum cofactor;Molybdenum cofactor"	"C10H12MoN5O8PS2"	"522.8919"	"M+K+CF3COOH"	152.95602
"812351"	247.8965	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M"	0
"986980"	228.87811	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-H2O-H"	-19.01839
"76316"	164.257057333333	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M-3H"	-3.021828
"515876"	246.889224	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M-3H"	-3.021828
"893678"	81.6248906666667	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-3H"	-3.021828
"4599"	246.889224	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M-2H"	-2.014552
"451817"	370.837474	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M-2H"	-2.014552
"823057"	122.940974	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-2H"	-2.014552
"87421"	494.785724	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M-H"	-1.007276
"531355"	742.682224	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M-H"	-1.007276
"903691"	246.889224	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-H"	-1.007276
"56971"	511.812271	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M-2H+NH4"	16.019271
"496531"	759.708771	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M-2H+NH4"	16.019271
"875427"	263.915771	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-2H+NH4"	16.019271
"31785"	516.767666	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M-2H+Na"	20.974666
"485828"	764.664166	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M-2H+Na"	20.974666
"860704"	268.871166	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-2H+Na"	20.974666
"1629871"	268.871166	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Na-2H"	20.974666
"104577"	264.877563	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M-H+Cl"	33.962126
"548511"	388.825813	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M-H+Cl"	33.962126
"941785"	140.929313	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-H+Cl"	33.962126
"282409"	530.762402	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+Cl"	34.969402
"675195"	778.658902	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+Cl"	34.969402
"1286501"	282.865902	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Cl"	34.969402
"30889"	532.741606	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M-2H+K"	36.948606
"470804"	780.638106	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M-2H+K"	36.948606
"848122"	284.845106	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-2H+K"	36.948606
"1571196"	284.845106	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+K-2H"	36.948606
"956699"	292.894694	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-H+HCOOH"	44.998194
"376377"	540.791201	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+HCOOH-H"	44.998201
"359523"	554.806851	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+Hac-H"	59.013851
"1503986"	306.910351	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Hac-H"	59.013851
"970437"	314.876651	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-H+NaCOOH"	66.980151
"120070"	282.865902	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+2Cl"	69.938804
"561449"	406.814152	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+2Cl"	69.938804
"1035357"	158.917652	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2Cl"	69.938804
"1256805"	326.815385	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Br"	78.918885
"1316290"	328.871372	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Cl+HCOOH"	80.974872
"1327591"	350.853329	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Cl+NaCOOH"	102.956829
"920839"	360.882086	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M-H+CF3COOH"	112.985586
"1297547"	396.858764	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Cl+CF3COOH"	148.962264
"1371698"	212.883824	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H-2H2O"	-35.012676
"1396122"	230.8938	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H-H2O"	-17.0027
"298312"	496.800276	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+H"	1.007276
"691147"	744.696776	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+H"	1.007276
"1363850"	248.903776	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H"	1.007276
"135281"	248.903776	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+2H"	2.014552
"573020"	372.852026	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+2H"	2.014552
"1048380"	124.955526	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2H"	2.014552
"209719"	166.271609333333	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+3H"	3.021828
"646362"	248.903776	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+3H"	3.021828
"1163271"	83.6394426666667	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+3H"	3.021828
"436149"	513.826823	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+NH4"	18.033823
"798239"	761.723323	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+NH4"	18.033823
"1693475"	265.930323	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+NH4"	18.033823
"339567"	257.4170495	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+H+NH4"	19.041099
"723970"	381.3652995	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+H+NH4"	19.041099
"1479247"	133.4687995	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H+NH4"	19.041099
"394646"	518.782218	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+Na"	22.989218
"757829"	766.678718	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+Na"	22.989218
"1608112"	270.885718	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Na"	22.989218
"315109"	259.894747	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+H+Na"	23.996494
"707652"	383.842997	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+H+Na"	23.996494
"1462806"	135.946497	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H+Na"	23.996494
"1053381"	90.9667566666667	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2H+Na"	25.00377
"1257977"	280.929986	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+CH3OH+H"	33.033486
"378251"	534.756158	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+K"	38.963158
"739614"	782.652658	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+K"	38.963158
"1541299"	286.859658	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+K"	38.963158
"300052"	267.881717	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+H+K"	39.970434
"700387"	391.829967	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+H+K"	39.970434
"1454214"	143.933467	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H+K"	39.970434
"242817"	537.826826	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+ACN+H"	42.033826
"1217713"	289.930326	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+ACN+H"	42.033826
"1201595"	145.468801	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+ACN+2H"	43.041102
"194465"	540.76416	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+2Na-H"	44.97116
"632931"	788.66066	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+2Na-H"	44.97116
"1140815"	292.86766	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2Na-H"	44.97116
"179729"	270.885718	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+2Na"	45.978436
"621112"	394.833968	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+2Na"	45.978436
"1123159"	146.937468	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2Na"	45.978436
"1404861"	98.2940706666667	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H+2Na"	46.985712
"1433339"	294.909246	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H+HCOOH"	47.012746
"221939"	275.91874	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+3H2O+2H"	56.04448
"1508657"	308.96129	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+IsoProp+H"	61.06479
"409322"	278.872688	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+Na+K"	61.952376
"772141"	402.820938	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+Na+K"	61.952376
"1669930"	154.924438	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Na+K"	61.952376
"258638"	559.808768	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+ACN+Na"	64.015768
"1233535"	311.912268	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+ACN+Na"	64.015768
"1722422"	311.935793	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+NH4+HCOOH"	64.039293
"1184494"	105.621384666667	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+3Na"	68.967654
"1658766"	316.891188	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Na+HCOOH"	68.994688
"167814"	572.71204	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+2K-H"	76.91904
"607376"	820.60854	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+2K-H"	76.91904
"1094075"	324.81554	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2K-H"	76.91904
"150893"	286.859658	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"2M+2K"	77.926316
"590452"	410.807908	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"3M+2K"	77.926316
"1078244"	162.911408	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2K"	77.926316
"1110358"	326.830092	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2K+H"	78.933592
"1345650"	326.917707	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+DMSO+H"	79.021207
"1017459"	330.956876	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2ACN+H"	83.060376
"1529027"	331.950508	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+IsoProp+Na+H"	84.054008
"994383"	165.982076	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+2ACN+2H"	84.067652
"1591071"	332.865128	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+K+HCOOH"	84.968628
"1415275"	362.896638	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+H+CF3COOH"	115.000138
"1149209"	186.495351	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+3ACN+2H"	125.094202
"1699856"	379.923185	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+NH4+CF3COOH"	132.026685
"1636601"	384.87858	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+Na+CF3COOH"	136.98208
"1585375"	400.85252	"C18238"	"cis-Chlorobenzene dihydrodiol"	"C6H4Cl4O2"	"247.8965"	"M+K+CF3COOH"	152.95602
"812461"	363.058	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M"	0
"981622"	344.03961	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-H2O-H"	-19.01839
"73145"	241.031390666667	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M-3H"	-3.021828
"512706"	362.050724	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M-3H"	-3.021828
"892694"	120.012057333333	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-3H"	-3.021828
"4709"	362.050724	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M-2H"	-2.014552
"448647"	543.579724	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M-2H"	-2.014552
"820251"	180.521724	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-2H"	-2.014552
"85344"	725.108724	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M-H"	-1.007276
"525998"	1088.166724	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M-H"	-1.007276
"903801"	362.050724	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-H"	-1.007276
"52707"	742.135271	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M-2H+NH4"	16.019271
"496641"	1105.193271	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M-2H+NH4"	16.019271
"872257"	379.077271	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-2H+NH4"	16.019271
"31497"	747.090666	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M-2H+Na"	20.974666
"474257"	1110.148666	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M-2H+Na"	20.974666
"861907"	384.032666	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-2H+Na"	20.974666
"1632533"	384.032666	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Na-2H"	20.974666
"106146"	380.039063	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M-H+Cl"	33.962126
"543153"	561.568063	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M-H+Cl"	33.962126
"937759"	198.510063	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-H+Cl"	33.962126
"278504"	761.085402	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+Cl"	34.969402
"669833"	1124.143402	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+Cl"	34.969402
"1283330"	398.027402	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Cl"	34.969402
"29165"	763.064606	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M-2H+K"	36.948606
"468728"	1126.122606	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M-2H+K"	36.948606
"846529"	400.006606	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-2H+K"	36.948606
"1565643"	400.006606	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+K-2H"	36.948606
"951340"	408.056194	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-H+HCOOH"	44.998194
"375025"	771.114201	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+HCOOH-H"	44.998201
"352344"	785.129851	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+Hac-H"	59.013851
"1498991"	422.071851	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Hac-H"	59.013851
"966533"	430.038151	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-H+NaCOOH"	66.980151
"120180"	398.027402	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+2Cl"	69.938804
"559373"	579.556402	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+2Cl"	69.938804
"1031091"	216.498402	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2Cl"	69.938804
"1248849"	441.976885	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Br"	78.918885
"1313481"	444.032872	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Cl+HCOOH"	80.974872
"1324417"	466.014829	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Cl+NaCOOH"	102.956829
"923139"	476.043586	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M-H+CF3COOH"	112.985586
"1295470"	512.020264	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Cl+CF3COOH"	148.962264
"1371443"	328.045324	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H-2H2O"	-35.012676
"1396232"	346.0553	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H-H2O"	-17.0027
"297743"	727.123276	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+H"	1.007276
"688341"	1090.181276	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+H"	1.007276
"1360680"	364.065276	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H"	1.007276
"128831"	364.065276	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+2H"	2.014552
"570943"	545.594276	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+2H"	2.014552
"1044117"	182.536276	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2H"	2.014552
"206550"	243.045942666667	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+3H"	3.021828
"645378"	364.065276	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+3H"	3.021828
"1162934"	122.026609333333	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+3H"	3.021828
"435166"	744.149823	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+NH4"	18.033823
"798351"	1107.207823	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+NH4"	18.033823
"1691399"	381.091823	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+NH4"	18.033823
"341864"	372.5785495	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+H+NH4"	19.041099
"724809"	554.1075495	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+H+NH4"	19.041099
"1478264"	191.0495495	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H+NH4"	19.041099
"394756"	749.105218	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+Na"	22.989218
"757210"	1112.163218	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+Na"	22.989218
"1606036"	386.047218	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Na"	22.989218
"314286"	375.056247	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+H+Na"	23.996494
"707884"	556.585247	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+H+Na"	23.996494
"1462432"	193.527247	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H+Na"	23.996494
"1054584"	129.353923333333	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2H+Na"	25.00377
"1257597"	396.091486	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+CH3OH+H"	33.033486
"377875"	765.079158	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+K"	38.963158
"738623"	1128.137158	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+K"	38.963158
"1539901"	402.021158	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+K"	38.963158
"298602"	383.043217	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+H+K"	39.970434
"698310"	564.572217	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+H+K"	39.970434
"1452136"	201.514217	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H+K"	39.970434
"244019"	768.149826	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+ACN+H"	42.033826
"1217823"	405.091826	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+ACN+H"	42.033826
"1200976"	203.049551	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+ACN+2H"	43.041102
"192752"	771.08716	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+2Na-H"	44.97116
"630245"	1134.14516	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+2Na-H"	44.97116
"1136550"	408.02916	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2Na-H"	44.97116
"178382"	386.047218	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+2Na"	45.978436
"619035"	567.576218	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+2Na"	45.978436
"1123269"	204.518218	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2Na"	45.978436
"1401691"	136.681237333333	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H+2Na"	46.985712
"1434177"	410.070746	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H+HCOOH"	47.012746
"223143"	391.08024	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+3H2O+2H"	56.04448
"1509501"	424.12279	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+IsoProp+H"	61.06479
"409189"	394.034188	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+Na+K"	61.952376
"772251"	575.563188	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+Na+K"	61.952376
"1668947"	212.505188	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Na+K"	61.952376
"259841"	790.131768	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+ACN+Na"	64.015768
"1231458"	427.073768	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+ACN+Na"	64.015768
"1718158"	427.097293	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+NH4+HCOOH"	64.039293
"1184604"	144.008551333333	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+3Na"	68.967654
"1653404"	432.052688	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Na+HCOOH"	68.994688
"164642"	803.03504	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+2K-H"	76.91904
"607483"	1166.09304	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+2K-H"	76.91904
"1094185"	439.97704	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2K-H"	76.91904
"151003"	402.021158	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"2M+2K"	77.926316
"589469"	583.550158	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"3M+2K"	77.926316
"1079447"	220.492158	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2K"	77.926316
"1110468"	441.991592	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2K+H"	78.933592
"1345760"	442.079207	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+DMSO+H"	79.021207
"1016475"	446.118376	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2ACN+H"	83.060376
"1528044"	447.112008	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+IsoProp+Na+H"	84.054008
"993400"	223.562826	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+2ACN+2H"	84.067652
"1591181"	448.026628	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+K+HCOOH"	84.968628
"1415021"	478.058138	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+H+CF3COOH"	115.000138
"1149319"	244.076101	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+3ACN+2H"	125.094202
"1698507"	495.084685	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+NH4+CF3COOH"	132.026685
"1636711"	500.04008	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+Na+CF3COOH"	136.98208
"1585485"	516.01402	"C18239"	"Precursor Z;Cyclic pyranopterin monophosphate;Cyclic pyranopterin phosphate;cPMP"	"C10H14N5O8P"	"363.058"	"M+K+CF3COOH"	152.95602
"815122"	245.8809	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M"	0
"981732"	226.86251	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-H2O-H"	-19.01839
"69975"	162.913324	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M-3H"	-3.021828
"512816"	244.873624	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M-3H"	-3.021828
"891711"	80.953024	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-3H"	-3.021828
"2632"	244.873624	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M-2H"	-2.014552
"448757"	367.814074	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M-2H"	-2.014552
"819996"	121.933174	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-2H"	-2.014552
"82174"	490.754524	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M-H"	-1.007276
"519668"	736.635424	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M-H"	-1.007276
"897715"	244.873624	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-H"	-1.007276
"49537"	507.781071	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M-2H+NH4"	16.019271
"490191"	753.661971	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M-2H+NH4"	16.019271
"867993"	261.900171	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-2H+NH4"	16.019271
"31465"	512.736466	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M-2H+Na"	20.974666
"474366"	758.617366	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M-2H+Na"	20.974666
"862017"	266.855566	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-2H+Na"	20.974666
"1631548"	266.855566	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Na-2H"	20.974666
"105891"	262.861963	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M-H+Cl"	33.962126
"542169"	385.802413	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M-H+Cl"	33.962126
"938962"	139.921513	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-H+Cl"	33.962126
"280072"	526.731202	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+Cl"	34.969402
"669941"	772.612102	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+Cl"	34.969402
"1284534"	280.850302	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Cl"	34.969402
"28182"	528.710406	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M-2H+K"	36.948606
"465558"	774.591306	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M-2H+K"	36.948606
"846640"	282.829506	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-2H+K"	36.948606
"1564660"	282.829506	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+K-2H"	36.948606
"952543"	290.879094	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-H+HCOOH"	44.998194
"375863"	536.760001	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+HCOOH-H"	44.998201
"353547"	550.775651	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+Hac-H"	59.013851
"1498009"	304.894751	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Hac-H"	59.013851
"967736"	312.861051	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-H+NaCOOH"	66.980151
"121383"	280.850302	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+2Cl"	69.938804
"562034"	403.790752	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+2Cl"	69.938804
"1031565"	157.909852	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2Cl"	69.938804
"1253332"	324.799785	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Br"	78.918885
"1312499"	326.855772	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Cl+HCOOH"	80.974872
"1327805"	348.837729	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Cl+NaCOOH"	102.956829
"921060"	358.866486	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M-H+CF3COOH"	112.985586
"1295580"	394.843164	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Cl+CF3COOH"	148.962264
"1371553"	210.868224	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H-2H2O"	-35.012676
"1390146"	228.8782	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H-H2O"	-17.0027
"296394"	492.769076	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+H"	1.007276
"686628"	738.649976	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+H"	1.007276
"1360790"	246.888176	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H"	1.007276
"129305"	246.888176	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+2H"	2.014552
"573240"	369.828626	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+2H"	2.014552
"1045320"	123.947726	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2H"	2.014552
"206660"	164.927876	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+3H"	3.021828
"645488"	246.888176	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+3H"	3.021828
"1164462"	82.967576	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+3H"	3.021828
"435276"	509.795623	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+NH4"	18.033823
"797368"	755.676523	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+NH4"	18.033823
"1691509"	263.914723	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+NH4"	18.033823
"342339"	255.4014495	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+H+NH4"	19.041099
"724919"	378.3418995	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+H+NH4"	19.041099
"1479467"	132.4609995	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H+NH4"	19.041099
"393243"	514.751018	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+Na"	22.989218
"757320"	760.631918	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+Na"	22.989218
"1606146"	268.870118	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Na"	22.989218
"317273"	257.879147	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+H+Na"	23.996494
"709695"	380.819597	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+H+Na"	23.996494
"1463392"	134.938697	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H+Na"	23.996494
"1056759"	90.29489	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2H+Na"	25.00377
"1258801"	278.914386	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+CH3OH+H"	33.033486
"378349"	530.724958	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+K"	38.963158
"738858"	776.605858	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+K"	38.963158
"1539890"	284.844058	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+K"	38.963158
"299176"	265.866117	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+H+K"	39.970434
"698420"	388.806567	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+H+K"	39.970434
"1454433"	142.925667	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H+K"	39.970434
"244129"	533.795626	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+ACN+H"	42.033826
"1216840"	287.914726	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+ACN+H"	42.033826
"1197804"	144.461001	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+ACN+2H"	43.041102
"191769"	536.73296	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+2Na-H"	44.97116
"630234"	782.61386	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+2Na-H"	44.97116
"1136660"	290.85206	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2Na-H"	44.97116
"178492"	268.870118	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+2Na"	45.978436
"616958"	391.810568	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+2Na"	45.978436
"1123379"	145.929668	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2Na"	45.978436
"1403988"	97.622204	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H+2Na"	46.985712
"1434288"	292.893646	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H+HCOOH"	47.012746
"225076"	273.90314	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+3H2O+2H"	56.04448
"1508879"	306.94569	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+IsoProp+H"	61.06479
"411000"	276.857088	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+Na+K"	61.952376
"772726"	399.797538	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+Na+K"	61.952376
"1666991"	153.916638	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Na+K"	61.952376
"255576"	555.777568	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+ACN+Na"	64.015768
"1232661"	309.896668	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+ACN+Na"	64.015768
"1714986"	309.920193	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+NH4+HCOOH"	64.039293
"1180340"	104.949518	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+3Na"	68.967654
"1650598"	314.875588	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Na+HCOOH"	68.994688
"161472"	568.68084	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+2K-H"	76.91904
"604313"	814.56174	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+2K-H"	76.91904
"1094294"	322.79994	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2K-H"	76.91904
"151113"	284.844058	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"2M+2K"	77.926316
"585205"	407.784508	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"3M+2K"	77.926316
"1072997"	161.903608	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2K"	77.926316
"1109485"	324.814492	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2K+H"	78.933592
"1345870"	324.902107	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+DMSO+H"	79.021207
"1016585"	328.941276	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2ACN+H"	83.060376
"1527060"	329.934908	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+IsoProp+Na+H"	84.054008
"991323"	164.974276	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+2ACN+2H"	84.067652
"1590198"	330.849528	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+K+HCOOH"	84.968628
"1414319"	360.881038	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+H+CF3COOH"	115.000138
"1149429"	185.487551	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+3ACN+2H"	125.094202
"1701169"	377.907585	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+NH4+CF3COOH"	132.026685
"1636821"	382.86298	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+Na+CF3COOH"	136.98208
"1585595"	398.83692	"C18240"	"Tetrachlorocatechol;Tetrachloro-12-benzenediol"	"C6H2Cl4O2"	"245.8809"	"M+K+CF3COOH"	152.95602
"812681"	277.8707	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M"	0
"985123"	258.85231	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-H2O-H"	-19.01839
"74459"	184.239857333333	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M-3H"	-3.021828
"516207"	276.863424	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M-3H"	-3.021828
"894739"	91.6162906666667	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-3H"	-3.021828
"1649"	276.863424	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M-2H"	-2.014552
"442303"	415.798774	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M-2H"	-2.014552
"818284"	137.928074	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-2H"	-2.014552
"82284"	554.734124	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M-H"	-1.007276
"520751"	832.604824	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M-H"	-1.007276
"896081"	276.863424	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-H"	-1.007276
"49647"	571.760671	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M-2H+NH4"	16.019271
"490301"	849.631371	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M-2H+NH4"	16.019271
"868102"	293.889971	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-2H+NH4"	16.019271
"31864"	576.716066	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M-2H+Na"	20.974666
"474476"	854.586766	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M-2H+Na"	20.974666
"859940"	298.845366	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-2H+Na"	20.974666
"1629472"	298.845366	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Na-2H"	20.974666
"102719"	294.851763	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M-H+Cl"	33.962126
"543372"	433.787113	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M-H+Cl"	33.962126
"937979"	155.916413	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-H+Cl"	33.962126
"277995"	590.710802	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+Cl"	34.969402
"669688"	868.581502	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+Cl"	34.969402
"1284645"	312.840102	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Cl"	34.969402
"30114"	592.690006	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M-2H+K"	36.948606
"465666"	870.560706	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M-2H+K"	36.948606
"843469"	314.819306	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-2H+K"	36.948606
"1564771"	314.819306	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+K-2H"	36.948606
"953747"	322.868894	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-H+HCOOH"	44.998194
"370867"	600.739601	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+HCOOH-H"	44.998201
"352563"	614.755251	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+Hac-H"	59.013851
"1499212"	336.884551	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Hac-H"	59.013851
"965661"	344.850851	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-H+NaCOOH"	66.980151
"122588"	312.840102	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+2Cl"	69.938804
"559592"	451.775452	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+2Cl"	69.938804
"1031675"	173.904752	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2Cl"	69.938804
"1254173"	356.789585	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Br"	78.918885
"1314432"	358.845572	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Cl+HCOOH"	80.974872
"1327918"	380.827529	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Cl+NaCOOH"	102.956829
"917889"	390.856286	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M-H+CF3COOH"	112.985586
"1292407"	426.832964	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Cl+CF3COOH"	148.962264
"1371661"	242.858024	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H-2H2O"	-35.012676
"1384423"	260.868	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H-H2O"	-17.0027
"293223"	556.748676	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+H"	1.007276
"681270"	834.619376	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+H"	1.007276
"1353244"	278.877976	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H"	1.007276
"126495"	278.877976	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+2H"	2.014552
"575537"	417.813326	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+2H"	2.014552
"1044337"	139.942626	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2H"	2.014552
"210049"	186.254409333333	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+3H"	3.021828
"645477"	278.877976	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+3H"	3.021828
"1163601"	93.6308426666667	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+3H"	3.021828
"434292"	573.775223	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+NH4"	18.033823
"796384"	851.645923	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+NH4"	18.033823
"1690525"	295.904523	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+NH4"	18.033823
"343177"	287.3912495	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+H+NH4"	19.041099
"726852"	426.3265995	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+H+NH4"	19.041099
"1482857"	148.4558995	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H+NH4"	19.041099
"401536"	578.730618	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+Na"	22.989218
"757794"	856.601318	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+Na"	22.989218
"1615003"	300.859918	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Na"	22.989218
"320665"	289.868947	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+H+Na"	23.996494
"716367"	428.804297	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+H+Na"	23.996494
"1473468"	150.933597	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H+Na"	23.996494
"1061246"	100.958156666667	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2H+Na"	25.00377
"1259643"	310.904186	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+CH3OH+H"	33.033486
"380408"	594.704558	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+K"	38.963158
"739702"	872.575258	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+K"	38.963158
"1541266"	316.833858	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+K"	38.963158
"298929"	297.855917	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+H+K"	39.970434
"698530"	436.791267	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+H+K"	39.970434
"1450168"	158.920567	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H+K"	39.970434
"243145"	597.775226	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+ACN+H"	42.033826
"1216950"	319.904526	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+ACN+H"	42.033826
"1197914"	160.455901	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+ACN+2H"	43.041102
"191879"	600.71256	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+2Na-H"	44.97116
"629981"	878.58326	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+2Na-H"	44.97116
"1138229"	322.84186	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2Na-H"	44.97116
"178602"	300.859918	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+2Na"	45.978436
"616703"	439.795268	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+2Na"	45.978436
"1123489"	161.924568	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2Na"	45.978436
"1404098"	108.285470666667	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H+2Na"	46.985712
"1434762"	324.883446	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H+HCOOH"	47.012746
"224821"	305.89294	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+3H2O+2H"	56.04448
"1509030"	338.93549	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+IsoProp+H"	61.06479
"409650"	308.846888	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+Na+K"	61.952376
"771743"	447.782238	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+Na+K"	61.952376
"1672447"	169.911538	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Na+K"	61.952376
"253863"	619.757168	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+ACN+Na"	64.015768
"1233864"	341.886468	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+ACN+Na"	64.015768
"1716189"	341.909993	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+NH4+HCOOH"	64.039293
"1181544"	115.612784666667	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+3Na"	68.967654
"1651800"	346.865388	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Na+HCOOH"	68.994688
"164863"	632.66044	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+2K-H"	76.91904
"605517"	910.53114	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+2K-H"	76.91904
"1093310"	354.78974	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2K-H"	76.91904
"154141"	316.833858	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"2M+2K"	77.926316
"587502"	455.769208	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"3M+2K"	77.926316
"1075294"	177.898508	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2K"	77.926316
"1107408"	356.804292	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2K+H"	78.933592
"1341607"	356.891907	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+DMSO+H"	79.021207
"1014508"	360.931076	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2ACN+H"	83.060376
"1524982"	361.924708	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+IsoProp+Na+H"	84.054008
"990132"	180.969176	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+2ACN+2H"	84.067652
"1594682"	362.839328	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+K+HCOOH"	84.968628
"1414510"	392.870838	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+H+CF3COOH"	115.000138
"1148201"	201.482451	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+3ACN+2H"	125.094202
"1699089"	409.897385	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+NH4+CF3COOH"	132.026685
"1635837"	414.85278	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+Na+CF3COOH"	136.98208
"1575864"	430.82672	"C18241"	"Tetrachloro-ciscis-muconate"	"C6H2Cl4O4"	"277.8707"	"M+K+CF3COOH"	152.95602
"814613"	241.894	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M"	0
"984141"	222.87561	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-H2O-H"	-19.01839
"74570"	160.255390666667	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M-3H"	-3.021828
"515224"	240.886724	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M-3H"	-3.021828
"889744"	79.6240573333333	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-3H"	-3.021828
"1759"	240.886724	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M-2H"	-2.014552
"441321"	361.833724	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M-2H"	-2.014552
"820216"	119.939724	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-2H"	-2.014552
"87860"	482.780724	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M-H"	-1.007276
"519034"	724.674724	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M-H"	-1.007276
"900850"	240.886724	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-H"	-1.007276
"55224"	499.807271	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M-2H+NH4"	16.019271
"493690"	741.701271	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M-2H+NH4"	16.019271
"865295"	257.913271	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-2H+NH4"	16.019271
"32946"	504.762666	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M-2H+Na"	20.974666
"471781"	746.656666	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M-2H+Na"	20.974666
"851293"	262.868666	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-2H+Na"	20.974666
"1624112"	262.868666	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Na-2H"	20.974666
"101734"	258.875063	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M-H+Cl"	33.962126
"542387"	379.822063	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M-H+Cl"	33.962126
"938818"	137.928063	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-H+Cl"	33.962126
"276644"	518.757402	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+Cl"	34.969402
"668704"	760.651402	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+Cl"	34.969402
"1281473"	276.863402	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Cl"	34.969402
"25851"	520.736606	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M-2H+K"	36.948606
"463591"	762.630606	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M-2H+K"	36.948606
"841391"	278.842606	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-2H+K"	36.948606
"1565972"	278.842606	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+K-2H"	36.948606
"953855"	286.892194	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-H+HCOOH"	44.998194
"367697"	528.786201	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+HCOOH-H"	44.998201
"353766"	542.801851	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+Hac-H"	59.013851
"1500416"	300.907851	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Hac-H"	59.013851
"967955"	308.874151	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-H+NaCOOH"	66.980151
"119048"	276.863402	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+2Cl"	69.938804
"560069"	397.810402	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+2Cl"	69.938804
"1032149"	155.916402	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2Cl"	69.938804
"1251365"	320.812885	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Br"	78.918885
"1314542"	322.868872	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Cl+HCOOH"	80.974872
"1329121"	344.850829	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Cl+NaCOOH"	102.956829
"915810"	354.879586	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M-H+CF3COOH"	112.985586
"1293610"	390.856264	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Cl+CF3COOH"	148.962264
"1372865"	206.881324	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H-2H2O"	-35.012676
"1387085"	224.8913	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H-H2O"	-17.0027
"286404"	484.795276	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+H"	1.007276
"681380"	726.689276	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+H"	1.007276
"1354811"	242.901276	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H"	1.007276
"130619"	242.901276	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+2H"	2.014552
"572367"	363.848276	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+2H"	2.014552
"1043356"	121.954276	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2H"	2.014552
"209069"	162.269942666667	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+3H"	3.021828
"644738"	242.901276	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+3H"	3.021828
"1166754"	81.6386093333333	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+3H"	3.021828
"430028"	501.821823	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+NH4"	18.033823
"795398"	743.715823	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+NH4"	18.033823
"1690636"	259.927823	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+NH4"	18.033823
"340006"	251.4145495	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+H+NH4"	19.041099
"730240"	372.3615495	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+H+NH4"	19.041099
"1485153"	130.4675495	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H+NH4"	19.041099
"395086"	506.777218	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+Na"	22.989218
"765921"	748.671218	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+Na"	22.989218
"1617299"	264.883218	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Na"	22.989218
"327337"	253.892247	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+H+Na"	23.996494
"716477"	374.839247	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+H+Na"	23.996494
"1470298"	132.945247	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H+Na"	23.996494
"1059170"	88.9659233333333	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2H+Na"	25.00377
"1260119"	274.927486	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+CH3OH+H"	33.033486
"381973"	522.751158	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+K"	38.963158
"740419"	764.645158	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+K"	38.963158
"1542108"	280.857158	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+K"	38.963158
"299285"	261.879217	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+H+K"	39.970434
"698640"	382.826217	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+H+K"	39.970434
"1450278"	140.932217	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H+K"	39.970434
"238880"	525.821826	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+ACN+H"	42.033826
"1219246"	283.927826	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+ACN+H"	42.033826
"1197660"	142.467551	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+ACN+2H"	43.041102
"190896"	528.75916	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+2Na-H"	44.97116
"633738"	770.65316	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+2Na-H"	44.97116
"1139796"	286.86516	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2Na-H"	44.97116
"181992"	264.883218	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+2Na"	45.978436
"616813"	385.830218	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+2Na"	45.978436
"1123235"	143.936218	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2Na"	45.978436
"1409676"	96.2932373333333	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H+2Na"	46.985712
"1432685"	288.906746	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H+HCOOH"	47.012746
"223473"	269.91624	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+3H2O+2H"	56.04448
"1509101"	302.95879	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+IsoProp+H"	61.06479
"411952"	272.870188	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+Na+K"	61.952376
"775134"	393.817188	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+Na+K"	61.952376
"1670370"	151.923188	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Na+K"	61.952376
"254702"	547.803768	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+ACN+Na"	64.015768
"1226065"	305.909768	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+ACN+Na"	64.015768
"1713744"	305.933293	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+NH4+HCOOH"	64.039293
"1180560"	103.620551333333	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+3Na"	68.967654
"1651547"	310.888688	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Na+HCOOH"	68.994688
"163879"	560.70704	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+2K-H"	76.91904
"607813"	802.60104	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+2K-H"	76.91904
"1092325"	318.81304	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2K-H"	76.91904
"153521"	280.857158	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"2M+2K"	77.926316
"590892"	401.804158	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"3M+2K"	77.926316
"1074310"	159.910158	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2K"	77.926316
"1101079"	320.827592	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2K+H"	78.933592
"1340622"	320.915207	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+DMSO+H"	79.021207
"1011338"	324.954376	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2ACN+H"	83.060376
"1526186"	325.948008	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+IsoProp+Na+H"	84.054008
"989981"	162.980826	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+2ACN+2H"	84.067652
"1592605"	326.862628	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+K+HCOOH"	84.968628
"1414185"	356.894138	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+H+CF3COOH"	115.000138
"1148555"	183.494101	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+3ACN+2H"	125.094202
"1697376"	373.920685	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+NH4+CF3COOH"	132.026685
"1636311"	378.87608	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+Na+CF3COOH"	136.98208
"1579254"	394.85002	"C18242"	"235-Trichlorodienelactone"	"C6HCl3O4"	"241.894"	"M+K+CF3COOH"	152.95602
"815087"	259.9046	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M"	0
"986438"	240.88621	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-H2O-H"	-19.01839
"74680"	172.262457333333	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M-3H"	-3.021828
"516427"	258.897324	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M-3H"	-3.021828
"890950"	85.6275906666667	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-3H"	-3.021828
"5149"	258.897324	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M-2H"	-2.014552
"447991"	388.849624	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M-2H"	-2.014552
"820326"	128.945024	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-2H"	-2.014552
"85783"	518.801924	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M-H"	-1.007276
"523159"	778.706524	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M-H"	-1.007276
"900960"	258.897324	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-H"	-1.007276
"54241"	535.828471	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M-2H+NH4"	16.019271
"489425"	795.733071	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M-2H+NH4"	16.019271
"867228"	275.923871	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-2H+NH4"	16.019271
"35127"	540.783866	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M-2H+Na"	20.974666
"473722"	800.688466	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M-2H+Na"	20.974666
"849942"	280.879266	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-2H+Na"	20.974666
"1627502"	280.879266	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Na-2H"	20.974666
"106947"	276.885663	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M-H+Cl"	33.962126
"549423"	406.837963	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M-H+Cl"	33.962126
"942089"	146.933363	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-H+Cl"	33.962126
"278213"	554.778602	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+Cl"	34.969402
"672093"	814.683202	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+Cl"	34.969402
"1282676"	294.874002	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Cl"	34.969402
"27418"	556.757806	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M-2H+K"	36.948606
"461514"	816.662406	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M-2H+K"	36.948606
"843688"	296.853206	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-2H+K"	36.948606
"1567905"	296.853206	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+K-2H"	36.948606
"953601"	304.902794	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-H+HCOOH"	44.998194
"370723"	564.807401	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+HCOOH-H"	44.998201
"354605"	578.823051	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+Hac-H"	59.013851
"1497246"	318.918451	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Hac-H"	59.013851
"968066"	326.884751	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-H+NaCOOH"	66.980151
"121711"	294.874002	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+2Cl"	69.938804
"562366"	424.826302	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+2Cl"	69.938804
"1032988"	164.921702	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2Cl"	69.938804
"1250380"	338.823485	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Br"	78.918885
"1314652"	340.879472	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Cl+HCOOH"	80.974872
"1331419"	362.861429	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Cl+NaCOOH"	102.956829
"914462"	372.890186	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M-H+CF3COOH"	112.985586
"1291897"	408.866864	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Cl+CF3COOH"	148.962264
"1371882"	224.891924	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H-2H2O"	-35.012676
"1386461"	242.9019	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H-H2O"	-17.0027
"287240"	520.816476	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+H"	1.007276
"681490"	780.721076	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+H"	1.007276
"1352734"	260.911876	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H"	1.007276
"132916"	260.911876	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+2H"	2.014552
"571387"	390.864176	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+2H"	2.014552
"1044561"	130.959576	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2H"	2.014552
"210274"	174.277009333333	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+3H"	3.021828
"649833"	260.911876	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+3H"	3.021828
"1166864"	87.6421426666667	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+3H"	3.021828
"432324"	537.843023	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+NH4"	18.033823
"797695"	797.747623	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+NH4"	18.033823
"1685278"	277.938423	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+NH4"	18.033823
"340116"	269.4251495	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+H+NH4"	19.041099
"725977"	399.3774495	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+H+NH4"	19.041099
"1485264"	139.4728495	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H+NH4"	19.041099
"401756"	542.798418	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+Na"	22.989218
"766030"	802.703018	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+Na"	22.989218
"1609756"	282.893818	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Na"	22.989218
"329312"	271.902847	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+H+Na"	23.996494
"721692"	401.855147	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+H+Na"	23.996494
"1471501"	141.950547	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H+Na"	23.996494
"1060374"	94.9694566666667	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2H+Na"	25.00377
"1259867"	292.938086	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+CH3OH+H"	33.033486
"380629"	558.772358	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+K"	38.963158
"740893"	818.676958	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+K"	38.963158
"1543676"	298.867758	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+K"	38.963158
"300489"	279.889817	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+H+K"	39.970434
"700941"	409.842117	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+H+K"	39.970434
"1450389"	149.937517	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H+K"	39.970434
"240084"	561.843026	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+ACN+H"	42.033826
"1220450"	301.938426	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+ACN+H"	42.033826
"1198864"	151.472851	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+ACN+2H"	43.041102
"191735"	564.78036	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+2Na-H"	44.97116
"636764"	824.68496	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+2Na-H"	44.97116
"1143552"	304.87576	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2Na-H"	44.97116
"184655"	282.893818	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+2Na"	45.978436
"619839"	412.846118	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+2Na"	45.978436
"1123709"	152.941518	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2Na"	45.978436
"1404686"	102.296770666667	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H+2Na"	46.985712
"1432431"	306.917346	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H+HCOOH"	47.012746
"222490"	287.92684	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+3H2O+2H"	56.04448
"1510304"	320.96939	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+IsoProp+H"	61.06479
"413156"	290.880788	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+Na+K"	61.952376
"773056"	420.833088	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+Na+K"	61.952376
"1669387"	160.928488	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Na+K"	61.952376
"254812"	583.824968	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+ACN+Na"	64.015768
"1228242"	323.920368	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+ACN+Na"	64.015768
"1713608"	323.943893	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+NH4+HCOOH"	64.039293
"1180670"	109.624084666667	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+3Na"	68.967654
"1650276"	328.899288	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Na+HCOOH"	68.994688
"163989"	596.72824	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+2K-H"	76.91904
"605737"	856.63284	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+2K-H"	76.91904
"1092435"	336.82364	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2K-H"	76.91904
"150347"	298.867758	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"2M+2K"	77.926316
"582374"	428.820058	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"3M+2K"	77.926316
"1071865"	168.915458	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2K"	77.926316
"1103253"	338.838192	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2K+H"	78.933592
"1337452"	338.925807	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+DMSO+H"	79.021207
"1008168"	342.964976	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2ACN+H"	83.060376
"1528484"	343.958608	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+IsoProp+Na+H"	84.054008
"996025"	171.986126	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+2ACN+2H"	84.067652
"1592714"	344.873228	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+K+HCOOH"	84.968628
"1414401"	374.904738	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+H+CF3COOH"	115.000138
"1148665"	192.499401	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+3ACN+2H"	125.094202
"1698217"	391.931285	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+NH4+CF3COOH"	132.026685
"1634598"	396.88668	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+Na+CF3COOH"	136.98208
"1576084"	412.86062	"C18243"	"235-Trichloromaleylacetate"	"C6H3Cl3O5"	"259.9046"	"M+K+CF3COOH"	152.95602
"816290"	227.9592	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M"	0
"988371"	208.94081	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-H2O-H"	-19.01839
"75884"	150.965524	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M-3H"	-3.021828
"515081"	226.951924	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M-3H"	-3.021828
"893612"	74.979124	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-3H"	-3.021828
"8538"	226.951924	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M-2H"	-2.014552
"449194"	340.931524	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M-2H"	-2.014552
"825902"	112.972324	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-2H"	-2.014552
"85893"	454.911124	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M-H"	-1.007276
"524363"	682.870324	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M-H"	-1.007276
"898883"	226.951924	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-H"	-1.007276
"53257"	471.937671	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M-2H+NH4"	16.019271
"489535"	699.896871	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M-2H+NH4"	16.019271
"867337"	243.978471	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-2H+NH4"	16.019271
"35237"	476.893066	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M-2H+Na"	20.974666
"473706"	704.852266	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M-2H+Na"	20.974666
"852606"	248.933866	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-2H+Na"	20.974666
"1628705"	248.933866	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Na-2H"	20.974666
"107058"	244.940263	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M-H+Cl"	33.962126
"549169"	358.919863	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M-H+Cl"	33.962126
"942404"	130.960663	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-H+Cl"	33.962126
"280875"	490.887802	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+Cl"	34.969402
"669284"	718.847002	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+Cl"	34.969402
"1281693"	262.928602	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Cl"	34.969402
"25340"	492.867006	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M-2H+K"	36.948606
"463811"	720.826206	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M-2H+K"	36.948606
"841610"	264.907806	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-2H+K"	36.948606
"1568015"	264.907806	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+K-2H"	36.948606
"955898"	272.957394	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-H+HCOOH"	44.998194
"370103"	500.916601	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+HCOOH-H"	44.998201
"353986"	514.932251	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+Hac-H"	59.013851
"1497356"	286.973051	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Hac-H"	59.013851
"967083"	294.939351	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-H+NaCOOH"	66.980151
"120363"	262.928602	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+2Cl"	69.938804
"562111"	376.908202	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+2Cl"	69.938804
"1030911"	148.949002	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2Cl"	69.938804
"1252677"	306.878085	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Br"	78.918885
"1317678"	308.934072	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Cl+HCOOH"	80.974872
"1331529"	330.916029	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Cl+NaCOOH"	102.956829
"913843"	340.944786	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M-H+CF3COOH"	112.985586
"1292008"	376.921464	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Cl+CF3COOH"	148.962264
"1373085"	192.946524	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H-2H2O"	-35.012676
"1387301"	210.9565	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H-H2O"	-17.0027
"285166"	456.925676	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+H"	1.007276
"681600"	684.884876	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+H"	1.007276
"1354667"	228.966476	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H"	1.007276
"129746"	228.966476	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+2H"	2.014552
"574776"	342.946076	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+2H"	2.014552
"1045764"	114.986876	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2H"	2.014552
"208561"	152.980076	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+3H"	3.021828
"651036"	228.966476	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+3H"	3.021828
"1164058"	76.993676	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+3H"	3.021828
"429155"	473.952223	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+NH4"	18.033823
"791243"	701.911423	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+NH4"	18.033823
"1683566"	245.993023	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+NH4"	18.033823
"331114"	237.4797495	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+H+NH4"	19.041099
"723169"	351.4593495	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+H+NH4"	19.041099
"1478085"	123.5001495	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H+NH4"	19.041099
"398587"	478.907618	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+Na"	22.989218
"766141"	706.866818	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+Na"	22.989218
"1615332"	250.948418	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Na"	22.989218
"324276"	239.957447	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+H+Na"	23.996494
"713417"	353.937047	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+H+Na"	23.996494
"1467237"	125.977847	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H+Na"	23.996494
"1057202"	84.32099	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2H+Na"	25.00377
"1259248"	260.992686	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+CH3OH+H"	33.033486
"378553"	494.881558	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+K"	38.963158
"741369"	722.840758	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+K"	38.963158
"1543059"	266.922358	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+K"	38.963158
"299140"	247.944417	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+H+K"	39.970434
"696680"	361.924017	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+H+K"	39.970434
"1451592"	133.964817	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H+K"	39.970434
"240193"	497.952226	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+ACN+H"	42.033826
"1220560"	269.993026	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+ACN+H"	42.033826
"1198974"	135.500151	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+ACN+2H"	43.041102
"194032"	500.88956	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+2Na-H"	44.97116
"636874"	728.84876	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+2Na-H"	44.97116
"1141474"	272.93036	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2Na-H"	44.97116
"184765"	250.948418	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+2Na"	45.978436
"622136"	364.928018	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+2Na"	45.978436
"1123455"	136.968818	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2Na"	45.978436
"1402609"	91.648304	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H+2Na"	46.985712
"1432905"	274.971946	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H+HCOOH"	47.012746
"223329"	255.98144	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+3H2O+2H"	56.04448
"1509807"	289.02399	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+IsoProp+H"	61.06479
"415452"	258.935388	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+Na+K"	61.952376
"773166"	372.914988	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+Na+K"	61.952376
"1669497"	144.955788	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Na+K"	61.952376
"254922"	519.934168	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+ACN+Na"	64.015768
"1226652"	291.974968	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+ACN+Na"	64.015768
"1713835"	291.998493	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+NH4+HCOOH"	64.039293
"1179077"	98.975618	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+3Na"	68.967654
"1651887"	296.953888	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Na+HCOOH"	68.994688
"160818"	532.83744	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+2K-H"	76.91904
"604753"	760.79664	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+2K-H"	76.91904
"1089265"	304.87824	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2K-H"	76.91904
"150457"	266.922358	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"2M+2K"	77.926316
"585642"	380.901958	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"3M+2K"	77.926316
"1073432"	152.942758	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2K"	77.926316
"1103363"	306.892792	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2K+H"	78.933592
"1336952"	306.980407	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+DMSO+H"	79.021207
"1012650"	311.019576	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2ACN+H"	83.060376
"1530782"	312.013208	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+IsoProp+Na+H"	84.054008
"996135"	156.013426	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+2ACN+2H"	84.067652
"1592824"	312.927828	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+K+HCOOH"	84.968628
"1414597"	342.959338	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+H+CF3COOH"	115.000138
"1150963"	176.526701	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+3ACN+2H"	125.094202
"1699421"	359.985885	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+NH4+CF3COOH"	132.026685
"1637262"	364.94128	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+Na+CF3COOH"	136.98208
"1576194"	380.91522	"C18244"	"24-Dichloro-3-oxoadipate"	"C6H6Cl2O5"	"227.9592"	"M+K+CF3COOH"	152.95602
"815430"	222.1984	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M"	0
"989210"	203.18001	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"74899"	147.124990666667	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"516646"	221.191124	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"892263"	73.0588573333333	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"9741"	221.191124	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"446023"	332.290324	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"826012"	110.091924	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"86003"	443.389524	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"523378"	665.587924	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"898993"	221.191124	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"50088"	460.416071	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"490740"	682.614471	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"869634"	238.217671	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"35347"	465.371466	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"473816"	687.569866	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"855996"	243.173066	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1625533"	243.173066	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"107897"	239.179463	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"547456"	350.278663	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"940972"	128.080263	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"280985"	479.366202	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"671583"	701.564602	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1278520"	257.167802	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"22169"	481.345406	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"463918"	703.543806	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"840624"	259.147006	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1560834"	259.147006	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"950903"	267.196594	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"373491"	489.395001	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"353001"	503.410651	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1498560"	281.212251	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"967193"	289.178551	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"119379"	257.167802	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"560034"	368.267002	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1029926"	146.068602	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1246227"	301.117285	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1311955"	303.173272	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1327265"	325.155229	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"912495"	335.183986	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1290661"	371.160664	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1369916"	187.185724	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1383766"	205.1957	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"284912"	445.404076	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"676361"	667.602476	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1354776"	223.205676	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"129856"	223.205676	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"570513"	334.304876	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1046968"	112.106476	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"209399"	149.139542666667	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"651147"	223.205676	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1165261"	75.0734093333333	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"428536"	462.430623	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"791353"	684.629023	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1682217"	240.232223	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"331952"	231.7189495	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"723280"	342.8181495	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1477465"	120.6197495	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"396145"	467.386018	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"767344"	689.584418	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1615442"	245.187618	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"325479"	234.196647	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"715713"	345.295847	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1468440"	123.097447	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1058405"	82.4007233333333	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1259722"	255.231886	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"377933"	483.359958	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"740750"	705.558358	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1544263"	261.161558	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"299615"	242.183617	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"696790"	353.282817	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1452795"	131.084417	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"245770"	486.430626	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1218483"	264.232226	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1197991"	132.619751	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"193049"	489.36796	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"636984"	711.56636	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1136115"	267.16956	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"178312"	245.187618	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"619329"	356.286818	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1123565"	134.088418	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1403447"	89.7280373333333	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1434837"	269.211146	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"224532"	250.22064	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1510403"	283.26319	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"414469"	253.174588	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"772183"	364.273788	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1669607"	142.075388	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"255033"	508.412568	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1227370"	286.214168	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1713583"	286.237693	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1180037"	97.0553513333333	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1654062"	291.193088	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"160196"	521.31584	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"604863"	743.51424	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1087188"	299.11744	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"145099"	261.161558	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"583566"	372.260758	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1074635"	150.062358	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1104566"	301.131992	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1338398"	301.219607	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1012759"	305.258776	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1533079"	306.252408	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"997338"	153.133026	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1594027"	307.167028	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1415559"	337.198538	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1148886"	173.646301	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1699531"	354.225085	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1636276"	359.18048	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1576304"	375.15442	"C18245"	"8-epi-Cedrol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"815422"	131.93	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M"	0
"982393"	112.91161	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-H2O-H"	-19.01839
"75010"	86.9460573333333	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M-3H"	-3.021828
"514571"	130.922724	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M-3H"	-3.021828
"893831"	42.9693906666667	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-3H"	-3.021828
"10947"	130.922724	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M-2H"	-2.014552
"447228"	196.887724	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M-2H"	-2.014552
"823937"	64.957724	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-2H"	-2.014552
"88301"	262.852724	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M-H"	-1.007276
"520209"	394.782724	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M-H"	-1.007276
"895683"	130.922724	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-H"	-1.007276
"50198"	279.879271	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M-2H+NH4"	16.019271
"496318"	411.809271	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M-2H+NH4"	16.019271
"868653"	147.949271	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-2H+NH4"	16.019271
"32662"	284.834666	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M-2H+Na"	20.974666
"472834"	416.764666	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M-2H+Na"	20.974666
"851732"	152.904666	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-2H+Na"	20.974666
"1624549"	152.904666	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Na-2H"	20.974666
"106913"	148.911063	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M-H+Cl"	33.962126
"545743"	214.876063	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M-H+Cl"	33.962126
"939622"	82.946063	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-H+Cl"	33.962126
"280367"	298.829402	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+Cl"	34.969402
"673152"	430.759402	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+Cl"	34.969402
"1280818"	166.899402	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Cl"	34.969402
"24464"	300.808606	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M-2H+K"	36.948606
"461841"	432.738606	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M-2H+K"	36.948606
"841827"	168.878606	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-2H+K"	36.948606
"1564222"	168.878606	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+K-2H"	36.948606
"951011"	176.928194	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-H+HCOOH"	44.998194
"371413"	308.858201	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+HCOOH-H"	44.998201
"358945"	322.873851	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+Hac-H"	59.013851
"1497577"	190.943851	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Hac-H"	59.013851
"967303"	198.910151	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-H+NaCOOH"	66.980151
"117303"	166.899402	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+2Cl"	69.938804
"556863"	232.864402	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+2Cl"	69.938804
"1029672"	100.934402	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2Cl"	69.938804
"1248524"	210.848885	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Br"	78.918885
"1316804"	212.904872	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Cl+HCOOH"	80.974872
"1331384"	234.886829	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Cl+NaCOOH"	102.956829
"914064"	244.915586	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M-H+CF3COOH"	112.985586
"1290770"	280.892264	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Cl+CF3COOH"	148.962264
"1371116"	96.917324	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H-2H2O"	-35.012676
"1386792"	114.9273	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H-H2O"	-17.0027
"285750"	264.867276	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+H"	1.007276
"677444"	396.797276	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+H"	1.007276
"1355979"	132.937276	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H"	1.007276
"133246"	132.937276	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+2H"	2.014552
"570623"	198.902276	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+2H"	2.014552
"1043798"	66.972276	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2H"	2.014552
"209510"	88.9606093333334	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+3H"	3.021828
"651257"	132.937276	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+3H"	3.021828
"1164278"	44.9839426666667	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+3H"	3.021828
"434839"	281.893823	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+NH4"	18.033823
"790370"	413.823823	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+NH4"	18.033823
"1682692"	149.963823	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+NH4"	18.033823
"332792"	141.4505495	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+H+NH4"	19.041099
"723387"	207.4155495	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+H+NH4"	19.041099
"1477938"	75.4855495	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H+NH4"	19.041099
"395161"	286.849218	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+Na"	22.989218
"764174"	418.779218	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+Na"	22.989218
"1614458"	154.919218	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Na"	22.989218
"324495"	143.928247	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+H+Na"	23.996494
"718010"	209.893247	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+H+Na"	23.996494
"1470736"	77.963247	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H+Na"	23.996494
"1061794"	52.3112566666667	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2H+Na"	25.00377
"1261291"	164.963486	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+CH3OH+H"	33.033486
"380956"	302.823158	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+K"	38.963158
"741589"	434.753158	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+K"	38.963158
"1548382"	170.893158	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+K"	38.963158
"300816"	151.915217	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+H+K"	39.970434
"697993"	217.880217	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+H+K"	39.970434
"1452906"	85.950217	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H+K"	39.970434
"245880"	305.893826	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+ACN+H"	42.033826
"1221509"	173.963826	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+ACN+H"	42.033826
"1198101"	87.485551	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+ACN+2H"	43.041102
"192066"	308.83116	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+2Na-H"	44.97116
"636001"	440.76116	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+2Na-H"	44.97116
"1135132"	176.90116	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2Na-H"	44.97116
"177327"	154.919218	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+2Na"	45.978436
"615793"	220.884218	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+2Na"	45.978436
"1116257"	88.954218	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2Na"	45.978436
"1406107"	59.6385706666667	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H+2Na"	46.985712
"1433854"	178.942746	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H+HCOOH"	47.012746
"223548"	159.95224	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+3H2O+2H"	56.04448
"1509420"	192.99479	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+IsoProp+H"	61.06479
"412392"	162.906188	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+Na+K"	61.952376
"772293"	228.871188	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+Na+K"	61.952376
"1666434"	96.941188	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Na+K"	61.952376
"254050"	327.875768	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+ACN+Na"	64.015768
"1226025"	195.945768	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+ACN+Na"	64.015768
"1713455"	195.969293	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+NH4+HCOOH"	64.039293
"1178765"	66.9658846666667	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+3Na"	68.967654
"1650404"	200.924688	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Na+HCOOH"	68.994688
"158848"	340.77904	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+2K-H"	76.91904
"602786"	472.70904	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+2K-H"	76.91904
"1086568"	208.84904	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2K-H"	76.91904
"145209"	170.893158	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"2M+2K"	77.926316
"582093"	236.858158	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"3M+2K"	77.926316
"1073651"	104.928158	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2K"	77.926316
"1101517"	210.863592	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2K+H"	78.933592
"1337782"	210.951207	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+DMSO+H"	79.021207
"1011779"	214.990376	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2ACN+H"	83.060376
"1534282"	215.984008	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+IsoProp+Na+H"	84.054008
"997449"	107.998826	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+2ACN+2H"	84.067652
"1595231"	216.898628	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+K+HCOOH"	84.968628
"1418706"	246.930138	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+H+CF3COOH"	115.000138
"1154462"	128.512101	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+3ACN+2H"	125.094202
"1704014"	263.956685	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+NH4+CF3COOH"	132.026685
"1638573"	268.91208	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+Na+CF3COOH"	136.98208
"1576414"	284.88602	"C18246"	"111-Trichloroethane;Methylchloroform"	"C2H3Cl3"	"131.93"	"M+K+CF3COOH"	152.95602
"816507"	97.969	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M"	0
"989483"	78.95061	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-H2O-H"	-19.01839
"77756"	64.3053906666667	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M-3H"	-3.021828
"518322"	96.961724	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M-3H"	-3.021828
"893578"	31.6490573333333	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-3H"	-3.021828
"6687"	96.961724	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M-2H"	-2.014552
"449526"	145.946224	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M-2H"	-2.014552
"825141"	47.977224	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-2H"	-2.014552
"87320"	194.930724	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M-H"	-1.007276
"523599"	292.899724	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M-H"	-1.007276
"896662"	96.961724	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-H"	-1.007276
"53588"	211.957271	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M-2H+NH4"	16.019271
"494241"	309.926271	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M-2H+NH4"	16.019271
"868763"	113.988271	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-2H+NH4"	16.019271
"31840"	216.912666	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M-2H+Na"	20.974666
"481696"	314.881666	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M-2H+Na"	20.974666
"852935"	118.943666	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-2H+Na"	20.974666
"1629762"	118.943666	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Na-2H"	20.974666
"108603"	114.950063	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M-H+Cl"	33.962126
"549015"	163.934563	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M-H+Cl"	33.962126
"942294"	65.965563	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-H+Cl"	33.962126
"282553"	230.907402	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+Cl"	34.969402
"673869"	328.876402	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+Cl"	34.969402
"1284208"	132.938402	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Cl"	34.969402
"27854"	232.886606	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M-2H+K"	36.948606
"465228"	330.855606	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M-2H+K"	36.948606
"843031"	134.917606	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-2H+K"	36.948606
"1568706"	134.917606	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+K-2H"	36.948606
"954401"	142.967194	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-H+HCOOH"	44.998194
"370430"	240.936201	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+HCOOH-H"	44.998201
"353222"	254.951851	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+Hac-H"	59.013851
"1497687"	156.982851	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Hac-H"	59.013851
"968143"	164.949151	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-H+NaCOOH"	66.980151
"117413"	132.938402	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+2Cl"	69.938804
"558066"	181.922902	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+2Cl"	69.938804
"1031239"	83.953902	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2Cl"	69.938804
"1254466"	176.887885	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Br"	78.918885
"1318006"	178.943872	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Cl+HCOOH"	80.974872
"1331858"	200.925829	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Cl+NaCOOH"	102.956829
"914173"	210.954586	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M-H+CF3COOH"	112.985586
"1295254"	246.931264	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Cl+CF3COOH"	148.962264
"1373415"	62.956324	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H-2H2O"	-35.012676
"1394191"	80.9663	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H-H2O"	-17.0027
"290599"	196.945276	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+H"	1.007276
"684113"	294.914276	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+H"	1.007276
"1358274"	98.976276	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H"	1.007276
"132257"	98.976276	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+2H"	2.014552
"570729"	147.960776	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+2H"	2.014552
"1046089"	49.991776	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2H"	2.014552
"212900"	66.3199426666667	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+3H"	3.021828
"657927"	98.976276	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+3H"	3.021828
"1170584"	33.6636093333333	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+3H"	3.021828
"434949"	213.971823	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+NH4"	18.033823
"797040"	311.940823	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+NH4"	18.033823
"1683894"	116.002823	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+NH4"	18.033823
"333266"	107.4895495	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+H+NH4"	19.041099
"723984"	156.4740495	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+H+NH4"	19.041099
"1479143"	58.5050495	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H+NH4"	19.041099
"398917"	218.927218	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+Na"	22.989218
"763191"	316.896218	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+Na"	22.989218
"1616391"	120.958218	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Na"	22.989218
"326794"	109.967247	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+H+Na"	23.996494
"719215"	158.951747	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+H+Na"	23.996494
"1473035"	60.982747	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H+Na"	23.996494
"1062999"	40.9909233333333	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2H+Na"	25.00377
"1261400"	131.002486	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+CH3OH+H"	33.033486
"380338"	234.901158	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+K"	38.963158
"743157"	332.870158	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+K"	38.963158
"1541201"	136.932158	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+K"	38.963158
"299592"	117.954217	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+H+K"	39.970434
"694814"	166.938717	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+H+K"	39.970434
"1455202"	68.969717	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H+K"	39.970434
"245990"	237.971826	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+ACN+H"	42.033826
"1220526"	140.002826	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+ACN+H"	42.033826
"1199304"	70.505051	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+ACN+2H"	43.041102
"192176"	240.90916	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+2Na-H"	44.97116
"637204"	338.87816	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+2Na-H"	44.97116
"1135607"	142.94016	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2Na-H"	44.97116
"177072"	120.958218	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+2Na"	45.978436
"617360"	169.942718	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+2Na"	45.978436
"1117584"	71.973718	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2Na"	45.978436
"1408404"	48.3182373333333	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H+2Na"	46.985712
"1436150"	144.981746	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H+HCOOH"	47.012746
"224750"	125.99124	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+3H2O+2H"	56.04448
"1510990"	159.03379	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+IsoProp+H"	61.06479
"416876"	128.945188	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+Na+K"	61.952376
"772767"	177.929688	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+Na+K"	61.952376
"1668002"	79.960688	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Na+K"	61.952376
"255253"	259.953768	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+ACN+Na"	64.015768
"1227591"	161.984768	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+ACN+Na"	64.015768
"1714050"	162.008293	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+NH4+HCOOH"	64.039293
"1179284"	55.6455513333333	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+3Na"	68.967654
"1651000"	166.963688	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Na+HCOOH"	68.994688
"158958"	272.85704	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+2K-H"	76.91904
"602896"	370.82604	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+2K-H"	76.91904
"1087041"	174.88804	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2K-H"	76.91904
"151153"	136.932158	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"2M+2K"	77.926316
"582693"	185.916658	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"3M+2K"	77.926316
"1072674"	87.947658	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2K"	77.926316
"1101510"	176.902592	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2K+H"	78.933592
"1337894"	176.990207	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+DMSO+H"	79.021207
"1015902"	181.029376	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2ACN+H"	83.060376
"1527833"	182.023008	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+IsoProp+Na+H"	84.054008
"997559"	91.018326	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+2ACN+2H"	84.067652
"1590972"	182.937628	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+K+HCOOH"	84.968628
"1416997"	212.969138	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+H+CF3COOH"	115.000138
"1154577"	111.531601	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+3ACN+2H"	125.094202
"1705221"	229.995685	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+NH4+CF3COOH"	132.026685
"1639779"	234.95108	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+Na+CF3COOH"	136.98208
"1586365"	250.92502	"C18247"	"11-Dichloroethane"	"C2H4Cl2"	"97.969"	"M+K+CF3COOH"	152.95602
"815637"	64.008	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M"	0
"989540"	44.98961	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-H2O-H"	-19.01839
"77416"	41.664724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M-3H"	-3.021828
"511509"	63.000724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M-3H"	-3.021828
"891497"	20.328724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-3H"	-3.021828
"6797"	63.000724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M-2H"	-2.014552
"449636"	95.004724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M-2H"	-2.014552
"824158"	30.996724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-2H"	-2.014552
"81234"	127.008724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M-H"	-1.007276
"520429"	191.016724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M-H"	-1.007276
"897138"	63.000724	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-H"	-1.007276
"48838"	144.035271	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M-2H+NH4"	16.019271
"491072"	208.043271	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M-2H+NH4"	16.019271
"869966"	80.027271	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-2H+NH4"	16.019271
"33614"	148.990666	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M-2H+Na"	20.974666
"481806"	212.998666	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M-2H+Na"	20.974666
"849518"	84.982666	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-2H+Na"	20.974666
"1629143"	84.982666	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Na-2H"	20.974666
"109160"	80.989063	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M-H+Cl"	33.962126
"549124"	112.993063	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M-H+Cl"	33.962126
"941308"	48.985063	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-H+Cl"	33.962126
"281447"	162.985402	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+Cl"	34.969402
"674100"	226.993402	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+Cl"	34.969402
"1285411"	98.977402	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Cl"	34.969402
"27966"	164.964606	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M-2H+K"	36.948606
"464245"	228.972606	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M-2H+K"	36.948606
"843142"	100.956606	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-2H+K"	36.948606
"1568452"	100.956606	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+K-2H"	36.948606
"954148"	109.006194	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-H+HCOOH"	44.998194
"374917"	173.014201	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+HCOOH-H"	44.998201
"357708"	187.029851	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+Hac-H"	59.013851
"1497797"	123.021851	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Hac-H"	59.013851
"963151"	130.988151	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-H+NaCOOH"	66.980151
"113514"	98.977402	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+2Cl"	69.938804
"555990"	130.981402	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+2Cl"	69.938804
"1030256"	66.973402	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2Cl"	69.938804
"1255549"	142.926885	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Br"	78.918885
"1319335"	144.982872	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Cl+HCOOH"	80.974872
"1330876"	166.964829	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Cl+NaCOOH"	102.956829
"914648"	176.993586	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M-H+CF3COOH"	112.985586
"1293177"	212.970264	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Cl+CF3COOH"	148.962264
"1373525"	28.995324	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H-2H2O"	-35.012676
"1388834"	47.0053	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H-H2O"	-17.0027
"290708"	129.023276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+H"	1.007276
"678755"	193.031276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+H"	1.007276
"1354010"	65.015276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H"	1.007276
"134554"	65.015276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+2H"	2.014552
"567192"	97.019276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+2H"	2.014552
"1042919"	33.011276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2H"	2.014552
"214103"	43.679276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+3H"	3.021828
"655850"	65.015276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+3H"	3.021828
"1168506"	22.343276	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+3H"	3.021828
"427768"	146.049823	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+NH4"	18.033823
"794961"	210.057823	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+NH4"	18.033823
"1683277"	82.041823	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+NH4"	18.033823
"332648"	73.5285495	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+H+NH4"	19.041099
"723850"	105.5325495	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+H+NH4"	19.041099
"1478036"	41.5245495	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H+NH4"	19.041099
"394652"	151.005218	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+Na"	22.989218
"763301"	215.013218	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+Na"	22.989218
"1615773"	86.997218	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Na"	22.989218
"328727"	76.006247	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+H+Na"	23.996494
"720420"	108.010247	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+H+Na"	23.996494
"1473147"	44.002247	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H+Na"	23.996494
"1063111"	29.67059	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2H+Na"	25.00377
"1261144"	97.041486	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+CH3OH+H"	33.033486
"382272"	166.979158	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+K"	38.963158
"744363"	230.987158	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+K"	38.963158
"1543135"	102.971158	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+K"	38.963158
"299216"	83.993217	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+H+K"	39.970434
"696020"	115.997217	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+H+K"	39.970434
"1452031"	51.989217	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H+K"	39.970434
"242820"	170.049826	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+ACN+H"	42.033826
"1216625"	106.041826	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+ACN+H"	42.033826
"1199048"	53.524551	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+ACN+2H"	43.041102
"193743"	172.98716	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+2Na-H"	44.97116
"635126"	236.99516	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+2Na-H"	44.97116
"1135717"	108.97916	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2Na-H"	44.97116
"177182"	86.997218	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+2Na"	45.978436
"615648"	119.001218	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+2Na"	45.978436
"1117694"	54.993218	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2Na"	45.978436
"1407421"	36.997904	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H+2Na"	46.985712
"1439540"	111.020746	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H+HCOOH"	47.012746
"232514"	92.03024	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+3H2O+2H"	56.04448
"1511829"	125.07279	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+IsoProp+H"	61.06479
"416986"	94.984188	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+Na+K"	61.952376
"773241"	126.988188	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+Na+K"	61.952376
"1667748"	62.980188	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Na+K"	61.952376
"255363"	192.031768	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+ACN+Na"	64.015768
"1229160"	128.023768	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+ACN+Na"	64.015768
"1714769"	128.047293	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+NH4+HCOOH"	64.039293
"1179515"	44.325218	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+3Na"	68.967654
"1651111"	133.002688	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Na+HCOOH"	68.994688
"158703"	204.93504	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+2K-H"	76.91904
"603006"	268.94304	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+2K-H"	76.91904
"1088608"	140.92704	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2K-H"	76.91904
"152720"	102.971158	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"2M+2K"	77.926316
"583167"	134.975158	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"3M+2K"	77.926316
"1072784"	70.967158	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2K"	77.926316
"1101741"	142.941592	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2K+H"	78.933592
"1338004"	143.029207	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+DMSO+H"	79.021207
"1015282"	147.068376	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2ACN+H"	83.060376
"1532316"	148.062008	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+IsoProp+Na+H"	84.054008
"994389"	74.037826	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+2ACN+2H"	84.067652
"1589987"	148.976628	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+K+HCOOH"	84.968628
"1417836"	179.008138	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+H+CF3COOH"	115.000138
"1156874"	94.551101	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+3ACN+2H"	125.094202
"1706424"	196.034685	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+NH4+CF3COOH"	132.026685
"1639889"	200.99008	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+Na+CF3COOH"	136.98208
"1586475"	216.96402	"C18248"	"Chloroethane;Ethyl chloride"	"C2H5Cl"	"64.008"	"M+K+CF3COOH"	152.95602
"816765"	236.0837	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M"	0
"989901"	217.06531	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-H2O-H"	-19.01839
"78559"	156.381857333333	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M-3H"	-3.021828
"518416"	235.076424	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M-3H"	-3.021828
"895623"	77.6872906666667	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-3H"	-3.021828
"13833"	235.076424	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M-2H"	-2.014552
"453393"	353.118274	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M-2H"	-2.014552
"830102"	117.034574	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-2H"	-2.014552
"92644"	471.160124	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M-H"	-1.007276
"531474"	707.243824	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M-H"	-1.007276
"902715"	235.076424	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-H"	-1.007276
"60372"	488.186671	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M-2H+NH4"	16.019271
"497744"	724.270371	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M-2H+NH4"	16.019271
"878826"	252.102971	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-2H+NH4"	16.019271
"40164"	493.142066	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M-2H+Na"	20.974666
"479729"	729.225766	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M-2H+Na"	20.974666
"854250"	257.058366	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-2H+Na"	20.974666
"1631440"	257.058366	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Na-2H"	20.974666
"109190"	253.064763	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M-H+Cl"	33.962126
"549155"	371.106613	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M-H+Cl"	33.962126
"942022"	135.022913	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-H+Cl"	33.962126
"282239"	507.136802	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+Cl"	34.969402
"675274"	743.220502	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+Cl"	34.969402
"1282241"	271.053102	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Cl"	34.969402
"25892"	509.116006	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M-2H+K"	36.948606
"462172"	745.199706	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M-2H+K"	36.948606
"845078"	273.032306	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-2H+K"	36.948606
"1569658"	273.032306	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+K-2H"	36.948606
"954623"	281.081894	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-H+HCOOH"	44.998194
"372476"	517.165601	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+HCOOH-H"	44.998201
"357456"	531.181251	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+Hac-H"	59.013851
"1494990"	295.097551	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Hac-H"	59.013851
"966177"	303.063851	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-H+NaCOOH"	66.980151
"116541"	271.053102	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+2Cl"	69.938804
"564851"	389.094952	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+2Cl"	69.938804
"1034743"	153.011252	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2Cl"	69.938804
"1256760"	315.002585	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Br"	78.918885
"1319694"	317.058572	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Cl+HCOOH"	80.974872
"1329894"	339.040529	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Cl+NaCOOH"	102.956829
"917676"	349.069286	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M-H+CF3COOH"	112.985586
"1295475"	385.045964	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Cl+CF3COOH"	148.962264
"1374731"	201.071024	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H-2H2O"	-35.012676
"1392227"	219.081	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H-H2O"	-17.0027
"291914"	473.174676	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+H"	1.007276
"686521"	709.258376	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+H"	1.007276
"1362869"	237.090976	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H"	1.007276
"132479"	237.090976	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+2H"	2.014552
"572043"	355.132826	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+2H"	2.014552
"1046310"	119.049126	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2H"	2.014552
"210935"	158.396409333333	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+3H"	3.021828
"653775"	237.090976	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+3H"	3.021828
"1171899"	79.7018426666667	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+3H"	3.021828
"432983"	490.201223	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+NH4"	18.033823
"788876"	726.284923	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+NH4"	18.033823
"1685575"	254.117523	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+NH4"	18.033823
"333853"	245.6042495	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+H+NH4"	19.041099
"725545"	363.6460995	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+H+NH4"	19.041099
"1478998"	127.5623995	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H+NH4"	19.041099
"394033"	495.156618	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+Na"	22.989218
"758309"	731.240318	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+Na"	22.989218
"1613698"	259.072918	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Na"	22.989218
"323735"	248.081947	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+H+Na"	23.996494
"721504"	366.123797	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+H+Na"	23.996494
"1473258"	130.040097	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H+Na"	23.996494
"1062129"	87.0291566666667	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2H+Na"	25.00377
"1258341"	269.117186	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+CH3OH+H"	33.033486
"380198"	511.130558	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+K"	38.963158
"739854"	747.214258	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+K"	38.963158
"1543244"	275.046858	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+K"	38.963158
"300422"	256.068917	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+H+K"	39.970434
"693943"	374.110767	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+H+K"	39.970434
"1453236"	138.027067	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H+K"	39.970434
"242930"	514.201226	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+ACN+H"	42.033826
"1216735"	278.117526	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+ACN+H"	42.033826
"1200617"	139.562401	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+ACN+2H"	43.041102
"194579"	517.13856	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+2Na-H"	44.97116
"634142"	753.22226	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+2Na-H"	44.97116
"1142025"	281.05486	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2Na-H"	44.97116
"178752"	259.072918	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+2Na"	45.978436
"616851"	377.114768	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+2Na"	45.978436
"1120357"	141.031068	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2Na"	45.978436
"1406439"	94.3564706666667	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H+2Na"	46.985712
"1436368"	283.096446	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H+HCOOH"	47.012746
"221689"	264.10594	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+3H2O+2H"	56.04448
"1511576"	297.14849	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+IsoProp+H"	61.06479
"416003"	267.059888	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+Na+K"	61.952376
"772622"	385.101738	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+Na+K"	61.952376
"1666518"	149.018038	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Na+K"	61.952376
"252673"	536.183168	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+ACN+Na"	64.015768
"1226962"	300.099468	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+ACN+Na"	64.015768
"1714515"	300.122993	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+NH4+HCOOH"	64.039293
"1179626"	101.683784666667	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+3Na"	68.967654
"1650855"	305.078388	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Na+HCOOH"	68.994688
"159178"	549.08644	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+2K-H"	76.91904
"607856"	785.17014	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+2K-H"	76.91904
"1090179"	313.00274	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2K-H"	76.91904
"147726"	275.046858	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"2M+2K"	77.926316
"593486"	393.088708	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"3M+2K"	77.926316
"1076175"	157.005008	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2K"	77.926316
"1111207"	315.017292	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2K+H"	78.933592
"1344675"	315.104907	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+DMSO+H"	79.021207
"1020498"	319.144076	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2ACN+H"	83.060376
"1532426"	320.137708	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+IsoProp+Na+H"	84.054008
"996688"	160.075676	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+2ACN+2H"	84.067652
"1591191"	321.052328	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+K+HCOOH"	84.968628
"1417943"	351.083838	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+H+CF3COOH"	115.000138
"1154796"	180.588951	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+3ACN+2H"	125.094202
"1706534"	368.110385	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+NH4+CF3COOH"	132.026685
"1641092"	373.06578	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+Na+CF3COOH"	136.98208
"1586585"	389.03972	"C18249"	"cis-45-Dihydroxy-45-dihydropyrene;cis-45-Dihydro-45-pyrenediol"	"C16H12O2"	"236.0837"	"M+K+CF3COOH"	152.95602
"814764"	234.0681	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M"	0
"989029"	215.04971	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-H2O-H"	-19.01839
"76540"	155.038124	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M-3H"	-3.021828
"513913"	233.060824	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M-3H"	-3.021828
"892809"	77.015424	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-3H"	-3.021828
"13944"	233.060824	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M-2H"	-2.014552
"453137"	350.094874	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M-2H"	-2.014552
"827659"	116.026774	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-2H"	-2.014552
"91661"	467.128924	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M-H"	-1.007276
"530126"	701.197024	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M-H"	-1.007276
"901733"	233.060824	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-H"	-1.007276
"58296"	484.155471	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M-2H+NH4"	16.019271
"495668"	718.223571	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M-2H+NH4"	16.019271
"874562"	250.087371	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-2H+NH4"	16.019271
"39181"	489.110866	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M-2H+Na"	20.974666
"471939"	723.178966	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M-2H+Na"	20.974666
"851808"	255.042766	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-2H+Na"	20.974666
"1628270"	255.042766	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Na-2H"	20.974666
"109749"	251.049163	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M-H+Cl"	33.962126
"549754"	368.083213	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M-H+Cl"	33.962126
"942420"	134.015113	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-H+Cl"	33.962126
"282147"	503.105602	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+Cl"	34.969402
"674811"	737.173702	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+Cl"	34.969402
"1281258"	269.037502	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Cl"	34.969402
"21629"	505.084806	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M-2H+K"	36.948606
"461188"	739.152906	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M-2H+K"	36.948606
"842271"	271.016706	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-2H+K"	36.948606
"1566851"	271.016706	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+K-2H"	36.948606
"953641"	279.066294	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-H+HCOOH"	44.998194
"373317"	513.134401	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+HCOOH-H"	44.998201
"357566"	527.150051	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+Hac-H"	59.013851
"1494007"	293.081951	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Hac-H"	59.013851
"962275"	301.048251	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-H+NaCOOH"	66.980151
"114465"	269.037502	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+2Cl"	69.938804
"560222"	386.071552	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+2Cl"	69.938804
"1029384"	152.003452	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2Cl"	69.938804
"1255892"	312.986985	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Br"	78.918885
"1316516"	315.042972	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Cl+HCOOH"	80.974872
"1332191"	337.024929	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Cl+NaCOOH"	102.956829
"914506"	347.053686	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M-H+CF3COOH"	112.985586
"1293399"	383.030364	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Cl+CF3COOH"	148.962264
"1374841"	199.055424	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H-2H2O"	-35.012676
"1392337"	217.0654	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H-H2O"	-17.0027
"294210"	469.143476	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+H"	1.007276
"685538"	703.211576	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+H"	1.007276
"1364801"	235.075376	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H"	1.007276
"132589"	235.075376	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+2H"	2.014552
"573246"	352.109426	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+2H"	2.014552
"1050794"	118.041326	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2H"	2.014552
"209952"	157.052676	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+3H"	3.021828
"653885"	235.075376	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+3H"	3.021828
"1175290"	79.029976	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+3H"	3.021828
"433094"	486.170023	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+NH4"	18.033823
"791173"	720.238123	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+NH4"	18.033823
"1686778"	252.101923	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+NH4"	18.033823
"336879"	243.5886495	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+H+NH4"	19.041099
"726019"	360.6226995	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+H+NH4"	19.041099
"1479837"	126.5545995	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H+NH4"	19.041099
"394143"	491.125418	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+Na"	22.989218
"755866"	725.193518	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+Na"	22.989218
"1604696"	257.057318	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Na"	22.989218
"320566"	246.066347	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+H+Na"	23.996494
"714082"	363.100397	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+H+Na"	23.996494
"1470088"	129.032297	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H+Na"	23.996494
"1062240"	86.35729	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2H+Na"	25.00377
"1259179"	267.101586	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+CH3OH+H"	33.033486
"380305"	507.099358	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+K"	38.963158
"740936"	741.167458	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+K"	38.963158
"1543356"	273.031258	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+K"	38.963158
"301626"	254.053317	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+H+K"	39.970434
"692960"	371.087367	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+H+K"	39.970434
"1454437"	137.019267	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H+K"	39.970434
"243039"	510.170026	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+ACN+H"	42.033826
"1215751"	276.101926	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+ACN+H"	42.033826
"1198541"	138.554601	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+ACN+2H"	43.041102
"193597"	513.10736	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+2Na-H"	44.97116
"633888"	747.17546	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+2Na-H"	44.97116
"1144930"	279.03926	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2Na-H"	44.97116
"178134"	257.057318	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+2Na"	45.978436
"616597"	374.091368	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+2Na"	45.978436
"1120103"	140.023268	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2Na"	45.978436
"1409829"	93.684604	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H+2Na"	46.985712
"1439758"	281.080846	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H+HCOOH"	47.012746
"221314"	262.09034	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+3H2O+2H"	56.04448
"1512416"	295.13289	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+IsoProp+H"	61.06479
"411372"	265.044288	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+Na+K"	61.952376
"771026"	382.078338	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+Na+K"	61.952376
"1666509"	148.010238	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Na+K"	61.952376
"252420"	532.151968	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+ACN+Na"	64.015768
"1227196"	298.083868	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+ACN+Na"	64.015768
"1713894"	298.107393	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+NH4+HCOOH"	64.039293
"1179371"	101.011918	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+3Na"	68.967654
"1650599"	303.062788	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Na+HCOOH"	68.994688
"159288"	545.05524	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+2K-H"	76.91904
"604319"	779.12334	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+2K-H"	76.91904
"1087371"	310.98714	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2K-H"	76.91904
"147836"	273.031258	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"2M+2K"	77.926316
"591044"	390.065308	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"3M+2K"	77.926316
"1076285"	155.997208	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2K"	77.926316
"1101840"	313.001692	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2K+H"	78.933592
"1341505"	313.089307	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+DMSO+H"	79.021207
"1018056"	317.128476	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2ACN+H"	83.060376
"1531443"	318.122108	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+IsoProp+Na+H"	84.054008
"996798"	159.067876	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+2ACN+2H"	84.067652
"1589115"	319.036728	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+K+HCOOH"	84.968628
"1415502"	349.068238	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+H+CF3COOH"	115.000138
"1153813"	179.581151	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+3ACN+2H"	125.094202
"1706644"	366.094785	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+NH4+CF3COOH"	132.026685
"1640109"	371.05018	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+Na+CF3COOH"	136.98208
"1586695"	387.02412	"C18250"	"45-Dihydroxypyrene"	"C16H10O2"	"234.0681"	"M+K+CF3COOH"	152.95602
"813781"	232.0524	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M"	0
"987316"	213.03401	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H2O-H"	-19.01839
"76650"	153.694324	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-3H"	-3.021828
"512930"	231.045124	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-3H"	-3.021828
"893284"	76.343524	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-3H"	-3.021828
"11502"	231.045124	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H"	-2.014552
"451061"	347.071324	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H"	-2.014552
"824489"	115.018924	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H"	-2.014552
"91650"	463.097524	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-H"	-1.007276
"527320"	695.149924	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-H"	-1.007276
"902936"	231.045124	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H"	-1.007276
"56219"	480.124071	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+NH4"	16.019271
"494685"	712.176471	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+NH4"	16.019271
"872485"	248.071671	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+NH4"	16.019271
"40384"	485.079466	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+Na"	20.974666
"471718"	717.131866	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+Na"	20.974666
"850458"	253.027066	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+Na"	20.974666
"1628380"	253.027066	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na-2H"	20.974666
"109369"	249.033463	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-H+Cl"	33.962126
"549091"	365.059663	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-H+Cl"	33.962126
"941999"	133.007263	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+Cl"	33.962126
"281163"	499.074202	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Cl"	34.969402
"673098"	731.126602	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Cl"	34.969402
"1281368"	267.021802	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl"	34.969402
"21739"	501.053406	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+K"	36.948606
"461298"	733.105806	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+K"	36.948606
"842381"	269.001006	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+K"	36.948606
"1566961"	269.001006	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K-2H"	36.948606
"953750"	277.050594	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+HCOOH"	44.998194
"373426"	509.103001	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+HCOOH-H"	44.998201
"355488"	523.118651	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Hac-H"	59.013851
"1493184"	291.066251	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Hac-H"	59.013851
"958862"	299.032551	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+NaCOOH"	66.980151
"115667"	267.021802	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Cl"	69.938804
"558874"	383.048002	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Cl"	69.938804
"1031680"	150.995602	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Cl"	69.938804
"1253814"	310.971285	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Br"	78.918885
"1315533"	313.027272	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+HCOOH"	80.974872
"1330114"	335.009229	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+NaCOOH"	102.956829
"914616"	345.037986	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+CF3COOH"	112.985586
"1293509"	381.014664	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+CF3COOH"	148.962264
"1374951"	197.039724	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H-2H2O"	-35.012676
"1392447"	215.0497	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H-H2O"	-17.0027
"294320"	465.112076	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H"	1.007276
"685648"	697.164476	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H"	1.007276
"1363089"	233.059676	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H"	1.007276
"131606"	233.059676	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2H"	2.014552
"572263"	349.085876	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2H"	2.014552
"1048717"	117.033476	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2H"	2.014552
"212244"	155.708876	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+3H"	3.021828
"651807"	233.059676	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+3H"	3.021828
"1175400"	78.358076	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3H"	3.021828
"431017"	482.138623	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+NH4"	18.033823
"790918"	714.191023	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+NH4"	18.033823
"1684702"	250.086223	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4"	18.033823
"336625"	241.5729495	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+NH4"	19.041099
"726129"	357.5991495	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+NH4"	19.041099
"1479219"	125.5467495	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+NH4"	19.041099
"394010"	487.094018	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Na"	22.989218
"755976"	719.146418	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Na"	22.989218
"1605899"	255.041618	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na"	22.989218
"320676"	244.050647	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+Na"	23.996494
"715285"	360.076847	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+Na"	23.996494
"1470198"	128.024447	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+Na"	23.996494
"1063444"	85.68539	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2H+Na"	25.00377
"1260381"	265.085886	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+CH3OH+H"	33.033486
"379322"	503.067958	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+K"	38.963158
"739953"	735.120358	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+K"	38.963158
"1542372"	271.015558	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K"	38.963158
"299183"	252.037617	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+K"	39.970434
"692000"	368.063817	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+K"	39.970434
"1452359"	136.011417	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+K"	39.970434
"242055"	506.138626	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+ACN+H"	42.033826
"1219139"	274.086226	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+H"	42.033826
"1199013"	137.546751	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+2H"	43.041102
"195527"	509.07596	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Na-H"	44.97116
"633634"	741.12836	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Na-H"	44.97116
"1144555"	277.02356	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Na-H"	44.97116
"180066"	255.041618	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Na"	45.978436
"616707"	371.067818	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Na"	45.978436
"1120577"	139.015418	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Na"	45.978436
"1410668"	93.012704	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+2Na"	46.985712
"1436588"	279.065146	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+HCOOH"	47.012746
"222275"	260.07464	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+3H2O+2H"	56.04448
"1513619"	293.11719	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+IsoProp+H"	61.06479
"410752"	263.028588	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Na+K"	61.952376
"772109"	379.054788	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Na+K"	61.952376
"1667349"	147.002388	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+K"	61.952376
"252166"	528.120568	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+ACN+Na"	64.015768
"1227307"	296.068168	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+Na"	64.015768
"1715098"	296.091693	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4+HCOOH"	64.039293
"1179845"	100.340018	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3Na"	68.967654
"1651802"	301.047088	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+HCOOH"	68.994688
"159033"	541.02384	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2K-H"	76.91904
"602243"	773.07624	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2K-H"	76.91904
"1088574"	308.97144	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K-H"	76.91904
"144666"	271.015558	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2K"	77.926316
"589696"	387.041758	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2K"	77.926316
"1076031"	154.989358	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K"	77.926316
"1101950"	310.985992	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K+H"	78.933592
"1341615"	311.073607	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+DMSO+H"	79.021207
"1017437"	315.112776	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2ACN+H"	83.060376
"1531553"	316.106408	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+IsoProp+Na+H"	84.054008
"996908"	158.060026	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2ACN+2H"	84.067652
"1589225"	317.021028	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K+HCOOH"	84.968628
"1415976"	347.052538	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+CF3COOH"	115.000138
"1155016"	178.573301	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3ACN+2H"	125.094202
"1706754"	364.079085	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4+CF3COOH"	132.026685
"1640219"	369.03448	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+CF3COOH"	136.98208
"1586805"	385.00842	"C18251"	"Pyrene-45-dione;45-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K+CF3COOH"	152.95602
"814984"	266.0579	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M"	0
"989250"	247.03951	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-H2O-H"	-19.01839
"78413"	176.364657333333	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M-3H"	-3.021828
"518266"	265.050624	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M-3H"	-3.021828
"891936"	87.6786906666667	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-3H"	-3.021828
"13798"	265.050624	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M-2H"	-2.014552
"453357"	398.079574	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M-2H"	-2.014552
"827879"	132.021674	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-2H"	-2.014552
"92732"	531.108524	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M-H"	-1.007276
"525244"	797.166424	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M-H"	-1.007276
"905234"	265.050624	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-H"	-1.007276
"56327"	548.135071	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M-2H+NH4"	16.019271
"499169"	814.192971	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M-2H+NH4"	16.019271
"872596"	282.077171	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-2H+NH4"	16.019271
"41589"	553.090466	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M-2H+Na"	20.974666
"476778"	819.148366	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M-2H+Na"	20.974666
"856769"	287.032566	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-2H+Na"	20.974666
"1631771"	287.032566	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Na-2H"	20.974666
"108060"	283.038963	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M-H+Cl"	33.962126
"548593"	416.067913	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M-H+Cl"	33.962126
"941381"	150.010013	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-H+Cl"	33.962126
"281396"	567.085202	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+Cl"	34.969402
"673330"	833.143102	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+Cl"	34.969402
"1282574"	301.027302	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Cl"	34.969402
"24036"	569.064406	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M-2H+K"	36.948606
"462504"	835.122306	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M-2H+K"	36.948606
"840304"	303.006506	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-2H+K"	36.948606
"1563791"	303.006506	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+K-2H"	36.948606
"952770"	311.056094	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-H+HCOOH"	44.998194
"370985"	577.114001	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+HCOOH-H"	44.998201
"352682"	591.129651	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+Hac-H"	59.013851
"1493862"	325.071751	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Hac-H"	59.013851
"963589"	333.038051	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-H+NaCOOH"	66.980151
"113592"	301.027302	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+2Cl"	69.938804
"559713"	434.056252	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+2Cl"	69.938804
"1031793"	167.998352	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2Cl"	69.938804
"1255382"	344.976785	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Br"	78.918885
"1316010"	347.032772	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Cl+HCOOH"	80.974872
"1335010"	369.014729	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Cl+NaCOOH"	102.956829
"913632"	379.043486	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M-H+CF3COOH"	112.985586
"1295806"	415.020164	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Cl+CF3COOH"	148.962264
"1376155"	231.045224	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H-2H2O"	-35.012676
"1392557"	249.0552	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H-H2O"	-17.0027
"296618"	533.123076	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+H"	1.007276
"690985"	799.180976	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+H"	1.007276
"1362107"	267.065176	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H"	1.007276
"130624"	267.065176	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+2H"	2.014552
"578934"	400.094126	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+2H"	2.014552
"1051014"	134.036226	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2H"	2.014552
"216730"	178.379209333333	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+3H"	3.021828
"655196"	267.065176	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+3H"	3.021828
"1176483"	89.6932426666667	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+3H"	3.021828
"434406"	550.149623	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+NH4"	18.033823
"793214"	816.207523	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+NH4"	18.033823
"1682986"	284.091723	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+NH4"	18.033823
"332722"	275.5784495	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+H+NH4"	19.041099
"728063"	408.6073995	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+H+NH4"	19.041099
"1480059"	142.5494995	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H+NH4"	19.041099
"395823"	555.105018	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+Na"	22.989218
"758278"	821.162918	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+Na"	22.989218
"1604553"	289.047118	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Na"	22.989218
"321880"	278.056147	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+H+Na"	23.996494
"716489"	411.085097	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+H+Na"	23.996494
"1476630"	145.027197	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H+Na"	23.996494
"1068139"	97.0205566666667	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2H+Na"	25.00377
"1260859"	299.091386	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+CH3OH+H"	33.033486
"380527"	571.078958	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+K"	38.963158
"740428"	837.136858	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+K"	38.963158
"1542482"	305.021058	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+K"	38.963158
"300022"	286.043117	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+H+K"	39.970434
"692803"	419.072067	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+H+K"	39.970434
"1450282"	153.014167	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H+K"	39.970434
"240342"	574.149626	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+ACN+H"	42.033826
"1215968"	308.091726	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+ACN+H"	42.033826
"1199487"	154.549501	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+ACN+2H"	43.041102
"192357"	577.08696	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+2Na-H"	44.97116
"630094"	843.14486	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+2Na-H"	44.97116
"1145758"	311.02906	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2Na-H"	44.97116
"180176"	289.047118	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+2Na"	45.978436
"616817"	422.076068	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+2Na"	45.978436
"1120323"	156.018168	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2Na"	45.978436
"1410049"	104.347870666667	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H+2Na"	46.985712
"1439979"	313.070646	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H+HCOOH"	47.012746
"223477"	294.08014	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+3H2O+2H"	56.04448
"1509717"	327.12269	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+IsoProp+H"	61.06479
"409037"	297.034088	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+Na+K"	61.952376
"771124"	430.063038	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+Na+K"	61.952376
"1667823"	164.005138	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Na+K"	61.952376
"253978"	596.131568	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+ACN+Na"	64.015768
"1229241"	330.073668	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+ACN+Na"	64.015768
"1713186"	330.097193	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+NH4+HCOOH"	64.039293
"1180928"	111.675184666667	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+3Na"	68.967654
"1650821"	335.052588	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Na+HCOOH"	68.994688
"157250"	609.03484	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+2K-H"	76.91904
"601256"	875.09274	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+2K-H"	76.91904
"1086864"	342.97694	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2K-H"	76.91904
"143679"	305.021058	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"2M+2K"	77.926316
"595276"	438.050008	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"3M+2K"	77.926316
"1078328"	171.992108	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2K"	77.926316
"1110445"	344.991492	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2K+H"	78.933592
"1341726"	345.079107	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+DMSO+H"	79.021207
"1015724"	349.118276	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2ACN+H"	83.060376
"1529476"	350.111908	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+IsoProp+Na+H"	84.054008
"993007"	175.062776	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+2ACN+2H"	84.067652
"1589332"	351.026528	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+K+HCOOH"	84.968628
"1419369"	381.058038	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+H+CF3COOH"	115.000138
"1150752"	195.576051	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+3ACN+2H"	125.094202
"1703583"	398.084585	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+NH4+CF3COOH"	132.026685
"1640329"	403.03998	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+Na+CF3COOH"	136.98208
"1580354"	419.01392	"C18252"	"Phenanthrene-45-dicarboxylate"	"C16H10O4"	"266.0579"	"M+K+CF3COOH"	152.95602
"815094"	222.0681	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M"	0
"988266"	203.04971	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-H2O-H"	-19.01839
"77965"	147.038124	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M-3H"	-3.021828
"516068"	221.060824	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M-3H"	-3.021828
"890953"	73.015424	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-3H"	-3.021828
"11721"	221.060824	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M-2H"	-2.014552
"453467"	332.094874	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M-2H"	-2.014552
"832734"	110.026774	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-2H"	-2.014552
"91992"	443.128924	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M-H"	-1.007276
"529727"	665.197024	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M-H"	-1.007276
"903157"	221.060824	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-H"	-1.007276
"56437"	460.155471	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M-2H+NH4"	16.019271
"499279"	682.223571	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M-2H+NH4"	16.019271
"872706"	238.087371	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-2H+NH4"	16.019271
"42428"	465.110866	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M-2H+Na"	20.974666
"472632"	687.178966	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M-2H+Na"	20.974666
"854692"	243.042766	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-2H+Na"	20.974666
"1630787"	243.042766	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Na-2H"	20.974666
"108290"	239.049163	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M-H+Cl"	33.962126
"546879"	350.083213	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M-H+Cl"	33.962126
"938207"	128.015113	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-H+Cl"	33.962126
"278952"	479.105602	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+Cl"	34.969402
"671372"	701.173702	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+Cl"	34.969402
"1285964"	257.037502	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Cl"	34.969402
"19040"	481.084806	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M-2H+K"	36.948606
"461521"	703.152906	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M-2H+K"	36.948606
"833490"	259.016706	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-2H+K"	36.948606
"1559529"	259.016706	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+K-2H"	36.948606
"952880"	267.066294	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-H+HCOOH"	44.998194
"372188"	489.134401	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+HCOOH-H"	44.998201
"351699"	503.150051	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+Hac-H"	59.013851
"1493233"	281.081951	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Hac-H"	59.013851
"959446"	289.048251	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-H+NaCOOH"	66.980151
"114795"	257.037502	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+2Cl"	69.938804
"558730"	368.071552	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+2Cl"	69.938804
"1028623"	146.003452	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2Cl"	69.938804
"1249295"	300.986985	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Br"	78.918885
"1310653"	303.042972	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Cl+HCOOH"	80.974872
"1330339"	325.024929	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Cl+NaCOOH"	102.956829
"913377"	335.053686	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M-H+CF3COOH"	112.985586
"1290813"	371.030364	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Cl+CF3COOH"	148.962264
"1372984"	187.055424	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H-2H2O"	-35.012676
"1390480"	205.0654	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H-H2O"	-17.0027
"293448"	445.143476	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+H"	1.007276
"685869"	667.211576	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+H"	1.007276
"1358936"	223.075376	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H"	1.007276
"129641"	223.075376	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+2H"	2.014552
"573577"	334.109426	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+2H"	2.014552
"1043470"	112.041326	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2H"	2.014552
"214651"	149.052676	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+3H"	3.021828
"654215"	223.075376	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+3H"	3.021828
"1173433"	75.029976	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+3H"	3.021828
"431236"	462.170023	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+NH4"	18.033823
"793324"	684.238123	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+NH4"	18.033823
"1685285"	240.101923	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+NH4"	18.033823
"331741"	231.5886495	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+H+NH4"	19.041099
"728173"	342.6226995	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+H+NH4"	19.041099
"1479441"	120.5545995	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H+NH4"	19.041099
"394840"	467.125418	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+Na"	22.989218
"756929"	689.193518	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+Na"	22.989218
"1603688"	245.057318	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Na"	22.989218
"324177"	234.066347	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+H+Na"	23.996494
"716599"	345.100397	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+H+Na"	23.996494
"1472605"	123.032297	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H+Na"	23.996494
"1068449"	82.35729	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2H+Na"	25.00377
"1260968"	255.101586	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+CH3OH+H"	33.033486
"382824"	483.099358	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+K"	38.963158
"741632"	705.167458	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+K"	38.963158
"1543687"	261.031258	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+K"	38.963158
"303049"	242.053317	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+H+K"	39.970434
"693281"	353.087367	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+H+K"	39.970434
"1449299"	131.019267	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H+K"	39.970434
"240088"	486.170026	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+ACN+H"	42.033826
"1214985"	264.101926	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+ACN+H"	42.033826
"1200326"	132.554601	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+ACN+2H"	43.041102
"193196"	489.10736	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+2Na-H"	44.97116
"629594"	711.17546	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+2Na-H"	44.97116
"1132611"	267.03926	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2Na-H"	44.97116
"179193"	245.057318	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+2Na"	45.978436
"616561"	356.091368	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+2Na"	45.978436
"1120069"	134.023268	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2Na"	45.978436
"1410159"	89.684604	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H+2Na"	46.985712
"1436809"	269.080846	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H+HCOOH"	47.012746
"222859"	250.09034	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+3H2O+2H"	56.04448
"1509826"	283.13289	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+IsoProp+H"	61.06479
"409389"	253.044288	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+Na+K"	61.952376
"771111"	364.078338	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+Na+K"	61.952376
"1667200"	142.010238	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Na+K"	61.952376
"252138"	508.151968	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+ACN+Na"	64.015768
"1226549"	286.083868	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+ACN+Na"	64.015768
"1715319"	286.107393	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+NH4+HCOOH"	64.039293
"1181767"	97.011918	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+3Na"	68.967654
"1650931"	291.062788	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Na+HCOOH"	68.994688
"158158"	521.05524	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+2K-H"	76.91904
"598083"	743.12334	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+2K-H"	76.91904
"1084538"	298.98714	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2K-H"	76.91904
"144155"	261.031258	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"2M+2K"	77.926316
"582378"	372.065308	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"3M+2K"	77.926316
"1073334"	149.997208	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2K"	77.926316
"1100341"	301.001692	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2K+H"	78.933592
"1337825"	301.089307	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+DMSO+H"	79.021207
"1008299"	305.128476	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2ACN+H"	83.060376
"1524845"	306.122108	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+IsoProp+Na+H"	84.054008
"990564"	153.067876	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+2ACN+2H"	84.067652
"1587495"	307.036728	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+K+HCOOH"	84.968628
"1414978"	337.068238	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+H+CF3COOH"	115.000138
"1147940"	173.581151	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+3ACN+2H"	125.094202
"1697491"	354.094785	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+NH4+CF3COOH"	132.026685
"1634291"	359.05018	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+Na+CF3COOH"	136.98208
"1573902"	375.02412	"C18253"	"Phenanthrene-4-carboxylate;4-Phenanthroic acid"	"C15H10O2"	"222.0681"	"M+K+CF3COOH"	152.95602
"815204"	218.0732	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M"	0
"987646"	199.05481	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-H2O-H"	-19.01839
"77710"	144.374857333333	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M-3H"	-3.021828
"516907"	217.065924	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M-3H"	-3.021828
"891063"	71.6837906666667	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-3H"	-3.021828
"11831"	217.065924	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M-2H"	-2.014552
"452484"	326.102524	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M-2H"	-2.014552
"831014"	108.029324	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-2H"	-2.014552
"89185"	435.139124	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M-H"	-1.007276
"529837"	653.212324	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M-H"	-1.007276
"905453"	217.065924	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-H"	-1.007276
"53267"	452.165671	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M-2H+NH4"	16.019271
"499389"	670.238871	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M-2H+NH4"	16.019271
"872816"	234.092471	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-2H+NH4"	16.019271
"42538"	457.121066	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M-2H+Na"	20.974666
"472742"	675.194266	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M-2H+Na"	20.974666
"853708"	239.047866	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-2H+Na"	20.974666
"1629804"	239.047866	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Na-2H"	20.974666
"108400"	235.054263	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M-H+Cl"	33.962126
"546989"	344.090863	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M-H+Cl"	33.962126
"938317"	126.017663	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-H+Cl"	33.962126
"280155"	471.115802	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+Cl"	34.969402
"671482"	689.189002	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+Cl"	34.969402
"1287046"	253.042602	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Cl"	34.969402
"18058"	473.095006	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M-2H+K"	36.948606
"464911"	691.168206	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M-2H+K"	36.948606
"833721"	255.021806	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-2H+K"	36.948606
"1559639"	255.021806	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+K-2H"	36.948606
"952990"	263.071394	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-H+HCOOH"	44.998194
"370111"	481.144601	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+HCOOH-H"	44.998201
"349622"	495.160251	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+Hac-H"	59.013851
"1494071"	277.087051	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Hac-H"	59.013851
"959672"	285.053351	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-H+NaCOOH"	66.980151
"113810"	253.042602	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+2Cl"	69.938804
"554465"	362.079202	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+2Cl"	69.938804
"1028732"	144.006002	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2Cl"	69.938804
"1249405"	296.992085	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Br"	78.918885
"1307481"	299.048072	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Cl+HCOOH"	80.974872
"1331541"	321.030029	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Cl+NaCOOH"	102.956829
"913487"	331.058786	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M-H+CF3COOH"	112.985586
"1288816"	367.035464	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Cl+CF3COOH"	148.962264
"1373094"	183.060524	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H-2H2O"	-35.012676
"1388403"	201.0705	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H-H2O"	-17.0027
"293558"	437.153676	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+H"	1.007276
"687072"	655.226876	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+H"	1.007276
"1359046"	219.080476	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H"	1.007276
"129751"	219.080476	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+2H"	2.014552
"572594"	328.117076	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+2H"	2.014552
"1045767"	110.043876	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2H"	2.014552
"217677"	146.389409333333	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+3H"	3.021828
"654324"	219.080476	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+3H"	3.021828
"1172448"	73.6983426666667	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+3H"	3.021828
"431346"	454.180223	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+NH4"	18.033823
"790154"	672.253423	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+NH4"	18.033823
"1685032"	236.107023	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+NH4"	18.033823
"332216"	227.5937495	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+H+NH4"	19.041099
"728283"	336.6303495	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+H+NH4"	19.041099
"1478822"	118.5571495	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H+NH4"	19.041099
"397502"	459.135618	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+Na"	22.989218
"756311"	677.208818	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+Na"	22.989218
"1606594"	241.062418	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Na"	22.989218
"324287"	230.071447	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+H+Na"	23.996494
"714522"	339.108047	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+H+Na"	23.996494
"1474902"	121.034847	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H+Na"	23.996494
"1067059"	81.0256566666667	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2H+Na"	25.00377
"1262171"	251.106686	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+CH3OH+H"	33.033486
"384027"	475.109558	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+K"	38.963158
"743929"	693.182758	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+K"	38.963158
"1543797"	257.036358	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+K"	38.963158
"302066"	238.058417	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+H+K"	39.970434
"692419"	347.095017	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+H+K"	39.970434
"1455970"	129.021817	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H+K"	39.970434
"240198"	478.180226	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+ACN+H"	42.033826
"1216188"	260.107026	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+ACN+H"	42.033826
"1197887"	130.557151	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+ACN+2H"	43.041102
"195130"	481.11756	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+2Na-H"	44.97116
"630679"	699.19076	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+2Na-H"	44.97116
"1133575"	263.04436	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2Na-H"	44.97116
"176021"	241.062418	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+2Na"	45.978436
"615579"	350.099018	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+2Na"	45.978436
"1119087"	132.025818	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2Na"	45.978436
"1410998"	88.3529706666667	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H+2Na"	46.985712
"1439104"	265.085946	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H+HCOOH"	47.012746
"226611"	246.09544	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+3H2O+2H"	56.04448
"1512490"	279.13799	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+IsoProp+H"	61.06479
"410108"	249.049388	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+Na+K"	61.952376
"772075"	358.085988	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+Na+K"	61.952376
"1667673"	140.012788	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Na+K"	61.952376
"252492"	500.162168	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+ACN+Na"	64.015768
"1228727"	282.088968	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+ACN+Na"	64.015768
"1715426"	282.112493	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+NH4+HCOOH"	64.039293
"1178835"	95.6802846666667	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+3Na"	68.967654
"1656142"	287.067888	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Na+HCOOH"	68.994688
"159356"	513.06544	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+2K-H"	76.91904
"597582"	731.13864	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+2K-H"	76.91904
"1085623"	294.99224	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2K-H"	76.91904
"143902"	257.036358	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"2M+2K"	77.926316
"585651"	366.072958	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"3M+2K"	77.926316
"1073444"	147.999758	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2K"	77.926316
"1102279"	297.006792	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2K+H"	78.933592
"1337935"	297.094407	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+DMSO+H"	79.021207
"1006827"	301.133576	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2ACN+H"	83.060376
"1524948"	302.127208	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+IsoProp+Na+H"	84.054008
"990670"	151.070426	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+2ACN+2H"	84.067652
"1587604"	303.041828	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+K+HCOOH"	84.968628
"1415088"	333.073338	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+H+CF3COOH"	115.000138
"1147806"	171.583701	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+3ACN+2H"	125.094202
"1698330"	350.099885	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+NH4+CF3COOH"	132.026685
"1634235"	355.05528	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+Na+CF3COOH"	136.98208
"1572919"	371.02922	"C18254"	"Pyrene-45-oxide;Pyrene-45-epoxide"	"C16H10O"	"218.0732"	"M+K+CF3COOH"	152.95602
"815314"	236.0837	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M"	0
"989706"	217.06531	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-H2O-H"	-19.01839
"78389"	156.381857333333	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M-3H"	-3.021828
"518111"	235.076424	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M-3H"	-3.021828
"895184"	77.6872906666667	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-3H"	-3.021828
"14493"	235.076424	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M-2H"	-2.014552
"454661"	353.118274	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M-2H"	-2.014552
"831853"	117.034574	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-2H"	-2.014552
"90387"	471.160124	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M-H"	-1.007276
"529582"	707.243824	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M-H"	-1.007276
"904470"	235.076424	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-H"	-1.007276
"57385"	488.186671	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M-2H+NH4"	16.019271
"498405"	724.270371	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M-2H+NH4"	16.019271
"875113"	252.102971	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-2H+NH4"	16.019271
"40825"	493.142066	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M-2H+Na"	20.974666
"473460"	729.225766	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M-2H+Na"	20.974666
"857098"	257.058366	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-2H+Na"	20.974666
"1631008"	257.058366	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Na-2H"	20.974666
"109967"	253.064763	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M-H+Cl"	33.962126
"549702"	371.106613	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M-H+Cl"	33.962126
"940615"	135.022913	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-H+Cl"	33.962126
"280264"	507.136802	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+Cl"	34.969402
"670498"	743.220502	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+Cl"	34.969402
"1286914"	271.053102	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Cl"	34.969402
"26552"	509.116006	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M-2H+K"	36.948606
"465021"	745.199706	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M-2H+K"	36.948606
"839542"	273.032306	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-2H+K"	36.948606
"1563027"	273.032306	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+K-2H"	36.948606
"953100"	281.081894	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-H+HCOOH"	44.998194
"370221"	517.165601	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+HCOOH-H"	44.998201
"355197"	531.181251	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+Hac-H"	59.013851
"1492986"	295.097551	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Hac-H"	59.013851
"958812"	303.063851	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-H+NaCOOH"	66.980151
"110879"	271.053102	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+2Cl"	69.938804
"556760"	389.094952	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+2Cl"	69.938804
"1022400"	153.011252	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2Cl"	69.938804
"1250608"	315.002585	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Br"	78.918885
"1310141"	317.058572	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Cl+HCOOH"	80.974872
"1326547"	339.040529	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Cl+NaCOOH"	102.956829
"913597"	349.069286	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M-H+CF3COOH"	112.985586
"1289452"	385.045964	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Cl+CF3COOH"	148.962264
"1370652"	201.071024	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H-2H2O"	-35.012676
"1388513"	219.081	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H-H2O"	-17.0027
"293668"	473.174676	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+H"	1.007276
"686089"	709.258376	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+H"	1.007276
"1358062"	237.090976	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H"	1.007276
"129861"	237.090976	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+2H"	2.014552
"572704"	355.132826	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+2H"	2.014552
"1044784"	119.049126	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2H"	2.014552
"217058"	158.396409333333	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+3H"	3.021828
"655527"	237.090976	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+3H"	3.021828
"1173651"	79.7018426666667	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+3H"	3.021828
"430363"	490.201223	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+NH4"	18.033823
"790264"	726.284923	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+NH4"	18.033823
"1687692"	254.117523	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+NH4"	18.033823
"331963"	245.6042495	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+H+NH4"	19.041099
"726206"	363.6460995	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+H+NH4"	19.041099
"1479052"	127.5623995	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H+NH4"	19.041099
"397611"	495.156618	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+Na"	22.989218
"756421"	731.240318	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+Na"	22.989218
"1604760"	259.072918	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Na"	22.989218
"326583"	248.081947	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+H+Na"	23.996494
"712445"	366.123797	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+H+Na"	23.996494
"1472825"	130.040097	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H+Na"	23.996494
"1061696"	87.0291566666667	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2H+Na"	25.00377
"1261188"	269.117186	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+CH3OH+H"	33.033486
"379763"	511.130558	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+K"	38.963158
"740758"	747.214258	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+K"	38.963158
"1540989"	275.046858	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+K"	38.963158
"302176"	256.068917	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+H+K"	39.970434
"692408"	374.110767	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+H+K"	39.970434
"1457174"	138.027067	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H+K"	39.970434
"243589"	514.201226	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+ACN+H"	42.033826
"1218485"	278.117526	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+ACN+H"	42.033826
"1200183"	139.562401	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+ACN+2H"	43.041102
"195240"	517.13856	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+2Na-H"	44.97116
"629694"	753.22226	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+2Na-H"	44.97116
"1133563"	281.05486	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2Na-H"	44.97116
"176854"	259.072918	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+2Na"	45.978436
"617510"	377.114768	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+2Na"	45.978436
"1119197"	141.031068	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2Na"	45.978436
"1413295"	94.3564706666667	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H+2Na"	46.985712
"1440308"	283.096446	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H+HCOOH"	47.012746
"229638"	264.10594	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+3H2O+2H"	56.04448
"1511871"	297.14849	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+IsoProp+H"	61.06479
"409732"	267.059888	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+Na+K"	61.952376
"772185"	385.101738	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+Na+K"	61.952376
"1668149"	149.018038	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Na+K"	61.952376
"252602"	536.183168	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+ACN+Na"	64.015768
"1228837"	300.099468	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+ACN+Na"	64.015768
"1718817"	300.122993	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+NH4+HCOOH"	64.039293
"1184172"	101.683784666667	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+3Na"	68.967654
"1658440"	305.078388	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Na+HCOOH"	68.994688
"160926"	549.08644	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+2K-H"	76.91904
"600854"	785.17014	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+2K-H"	76.91904
"1088649"	313.00274	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2K-H"	76.91904
"146198"	275.046858	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"2M+2K"	77.926316
"585761"	393.088708	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"3M+2K"	77.926316
"1073554"	157.005008	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2K"	77.926316
"1102389"	315.017292	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2K+H"	78.933592
"1340961"	315.104907	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+DMSO+H"	79.021207
"1007668"	319.144076	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2ACN+H"	83.060376
"1525673"	320.137708	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+IsoProp+Na+H"	84.054008
"990903"	160.075676	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+2ACN+2H"	84.067652
"1587959"	321.052328	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+K+HCOOH"	84.968628
"1415686"	351.083838	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+H+CF3COOH"	115.000138
"1147549"	180.588951	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+3ACN+2H"	125.094202
"1697711"	368.110385	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+NH4+CF3COOH"	132.026685
"1634457"	373.06578	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+Na+CF3COOH"	136.98208
"1574122"	389.03972	"C18255"	"trans-45-Dihydroxy-45-dihydropyrene;trans-45-Pyrenedihydrodiol"	"C16H12O2"	"236.0837"	"M+K+CF3COOH"	152.95602
"815913"	256.0736	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M"	0
"981306"	237.05521	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-H2O-H"	-19.01839
"72828"	169.708457333333	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M-3H"	-3.021828
"510203"	255.066324	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M-3H"	-3.021828
"888005"	84.3505906666667	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-3H"	-3.021828
"13875"	255.066324	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M-2H"	-2.014552
"454527"	383.103124	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M-2H"	-2.014552
"830140"	127.029524	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-2H"	-2.014552
"87217"	511.139924	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M-H"	-1.007276
"532608"	767.213524	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M-H"	-1.007276
"901299"	255.066324	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-H"	-1.007276
"55672"	528.166471	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M-2H+NH4"	16.019271
"495235"	784.240071	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M-2H+NH4"	16.019271
"873036"	272.092871	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-2H+NH4"	16.019271
"37656"	533.121866	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M-2H+Na"	20.974666
"473934"	789.195466	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M-2H+Na"	20.974666
"849188"	277.048266	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-2H+Na"	20.974666
"1632943"	277.048266	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Na-2H"	20.974666
"109847"	273.054663	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M-H+Cl"	33.962126
"546846"	401.091463	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M-H+Cl"	33.962126
"939631"	145.017863	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-H+Cl"	33.962126
"276000"	547.116602	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+Cl"	34.969402
"667330"	803.190202	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+Cl"	34.969402
"1283011"	291.043002	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Cl"	34.969402
"25569"	549.095806	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M-2H+K"	36.948606
"461851"	805.169406	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M-2H+K"	36.948606
"838559"	293.022206	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-2H+K"	36.948606
"1566421"	293.022206	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+K-2H"	36.948606
"949928"	301.071794	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-H+HCOOH"	44.998194
"369239"	557.145401	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+HCOOH-H"	44.998201
"348751"	571.161051	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+Hac-H"	59.013851
"1493329"	315.087451	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Hac-H"	59.013851
"960748"	323.053751	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-H+NaCOOH"	66.980151
"112937"	291.043002	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+2Cl"	69.938804
"554684"	419.079802	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+2Cl"	69.938804
"1027857"	163.006202	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2Cl"	69.938804
"1248531"	334.992485	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Br"	78.918885
"1308794"	337.048472	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Cl+HCOOH"	80.974872
"1326293"	359.030429	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Cl+NaCOOH"	102.956829
"913343"	369.059186	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M-H+CF3COOH"	112.985586
"1290050"	405.035864	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Cl+CF3COOH"	148.962264
"1373314"	221.060924	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H-2H2O"	-35.012676
"1388623"	239.0709	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H-H2O"	-17.0027
"294871"	513.154476	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+H"	1.007276
"685106"	769.228076	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+H"	1.007276
"1357079"	257.080876	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H"	1.007276
"127784"	257.080876	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+2H"	2.014552
"570627"	385.117676	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+2H"	2.014552
"1044894"	129.044076	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2H"	2.014552
"213888"	171.723009333333	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+3H"	3.021828
"652357"	257.080876	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+3H"	3.021828
"1171574"	86.3651426666667	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+3H"	3.021828
"427193"	530.181023	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+NH4"	18.033823
"789281"	786.254623	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+NH4"	18.033823
"1686708"	274.107423	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+NH4"	18.033823
"332801"	265.5941495	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+H+NH4"	19.041099
"724129"	393.6309495	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+H+NH4"	19.041099
"1480136"	137.5573495	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H+NH4"	19.041099
"396627"	535.136418	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+Na"	22.989218
"755438"	791.210018	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+Na"	22.989218
"1604630"	279.062818	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Na"	22.989218
"317946"	268.071847	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+H+Na"	23.996494
"715834"	396.108647	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+H+Na"	23.996494
"1468562"	140.035047	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H+Na"	23.996494
"1057434"	93.6924566666667	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2H+Na"	25.00377
"1261298"	289.107086	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+CH3OH+H"	33.033486
"380968"	551.110358	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+K"	38.963158
"741235"	807.183958	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+K"	38.963158
"1542923"	295.036758	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+K"	38.963158
"301192"	276.058817	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+H+K"	39.970434
"694706"	404.095617	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+H+K"	39.970434
"1455097"	148.022017	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H+K"	39.970434
"241512"	554.181026	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+ACN+H"	42.033826
"1217502"	298.107426	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+ACN+H"	42.033826
"1200293"	149.557351	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+ACN+2H"	43.041102
"195350"	557.11836	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+2Na-H"	44.97116
"630898"	813.19196	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+2Na-H"	44.97116
"1133310"	301.04476	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2Na-H"	44.97116
"175142"	279.062818	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+2Na"	45.978436
"616164"	407.099618	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+2Na"	45.978436
"1119307"	151.026018	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2Na"	45.978436
"1413405"	101.019770666667	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H+2Na"	46.985712
"1439324"	303.086346	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H+HCOOH"	47.012746
"223919"	284.09584	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+3H2O+2H"	56.04448
"1513074"	317.13839	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+IsoProp+H"	61.06479
"408733"	287.049788	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+Na+K"	61.952376
"773389"	415.086588	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+Na+K"	61.952376
"1667532"	159.012988	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Na+K"	61.952376
"251985"	576.162968	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+ACN+Na"	64.015768
"1231135"	320.089368	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+ACN+Na"	64.015768
"1720022"	320.112893	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+NH4+HCOOH"	64.039293
"1181003"	108.347084666667	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+3Na"	68.967654
"1653083"	325.068288	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Na+HCOOH"	68.994688
"163225"	589.06624	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+2K-H"	76.91904
"600965"	845.13984	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+2K-H"	76.91904
"1088028"	332.99264	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2K-H"	76.91904
"141603"	295.036758	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"2M+2K"	77.926316
"586962"	423.073558	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"3M+2K"	77.926316
"1076945"	166.999958	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2K"	77.926316
"1102500"	335.007192	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2K+H"	78.933592
"1337183"	335.094807	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+DMSO+H"	79.021207
"1009601"	339.133976	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2ACN+H"	83.060376
"1525907"	340.127608	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+IsoProp+Na+H"	84.054008
"995271"	170.070626	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+2ACN+2H"	84.067652
"1588072"	341.042228	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+K+HCOOH"	84.968628
"1416890"	371.073738	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+H+CF3COOH"	115.000138
"1147665"	190.583901	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+3ACN+2H"	125.094202
"1700008"	388.100285	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+NH4+CF3COOH"	132.026685
"1634932"	393.05568	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+Na+CF3COOH"	136.98208
"1574232"	409.02962	"C18256"	"cis-34-Phenanthrenedihydrodiol-4-carboxylate"	"C15H12O4"	"256.0736"	"M+K+CF3COOH"	152.95602
"815170"	232.0524	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M"	0
"981416"	213.03401	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H2O-H"	-19.01839
"74031"	153.694324	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-3H"	-3.021828
"511404"	231.045124	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-3H"	-3.021828
"889208"	76.343524	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-3H"	-3.021828
"14231"	231.045124	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H"	-2.014552
"454641"	347.071324	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H"	-2.014552
"828063"	115.018924	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H"	-2.014552
"88420"	463.097524	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-H"	-1.007276
"532964"	695.149924	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-H"	-1.007276
"904690"	231.045124	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H"	-1.007276
"55418"	480.124071	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+NH4"	16.019271
"493158"	712.176471	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+NH4"	16.019271
"873146"	248.071671	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+NH4"	16.019271
"41045"	485.079466	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+Na"	20.974666
"474043"	717.131866	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+Na"	20.974666
"857321"	253.027066	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+Na"	20.974666
"1627949"	253.027066	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na-2H"	20.974666
"101198"	249.033463	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-H+Cl"	33.962126
"542945"	365.059663	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-H+Cl"	33.962126
"938647"	133.007263	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+Cl"	33.962126
"279392"	499.074202	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Cl"	34.969402
"667440"	731.126602	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Cl"	34.969402
"1283124"	267.021802	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl"	34.969402
"20212"	501.053406	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+K"	36.948606
"461961"	733.105806	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+K"	36.948606
"834296"	269.001006	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+K"	36.948606
"1564344"	269.001006	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K-2H"	36.948606
"948946"	277.050594	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+HCOOH"	44.998194
"363517"	509.103001	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+HCOOH-H"	44.998201
"347159"	523.118651	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Hac-H"	59.013851
"1492992"	291.066251	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Hac-H"	59.013851
"959764"	299.032551	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+NaCOOH"	66.980151
"110410"	267.021802	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Cl"	69.938804
"553702"	383.048002	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Cl"	69.938804
"1029061"	150.995602	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Cl"	69.938804
"1251921"	310.971285	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Br"	78.918885
"1313277"	313.027272	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+HCOOH"	80.974872
"1323123"	335.009229	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+NaCOOH"	102.956829
"913089"	345.037986	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+CF3COOH"	112.985586
"1294169"	381.014664	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+CF3COOH"	148.962264
"1374517"	197.039724	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H-2H2O"	-35.012676
"1388733"	215.0497	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H-H2O"	-17.0027
"296074"	465.112076	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H"	1.007276
"685215"	697.164476	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H"	1.007276
"1362657"	233.059676	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H"	1.007276
"128987"	233.059676	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2H"	2.014552
"574017"	349.085876	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2H"	2.014552
"1046097"	117.033476	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2H"	2.014552
"213999"	155.708876	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+3H"	3.021828
"653557"	233.059676	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+3H"	3.021828
"1173871"	78.358076	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3H"	3.021828
"432768"	482.138623	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+NH4"	18.033823
"789391"	714.191023	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+NH4"	18.033823
"1686817"	250.086223	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4"	18.033823
"334003"	241.5729495	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+NH4"	19.041099
"730798"	357.5991495	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+NH4"	19.041099
"1482430"	125.5467495	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+NH4"	19.041099
"398923"	487.094018	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Na"	22.989218
"756639"	719.146418	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Na"	22.989218
"1604374"	255.041618	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na"	22.989218
"324616"	244.050647	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+Na"	23.996494
"713757"	360.076847	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+Na"	23.996494
"1467577"	128.024447	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+Na"	23.996494
"1061919"	85.68539	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2H+Na"	25.00377
"1260314"	265.085886	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+CH3OH+H"	33.033486
"384357"	503.067958	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+K"	38.963158
"745353"	735.120358	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+K"	38.963158
"1544126"	271.015558	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K"	38.963158
"303488"	252.037617	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+K"	39.970434
"693724"	368.063817	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+K"	39.970434
"1450832"	136.011417	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+K"	39.970434
"241622"	506.138626	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+ACN+H"	42.033826
"1220891"	274.086226	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+H"	42.033826
"1199309"	137.546751	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+2H"	43.041102
"195460"	509.07596	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Na-H"	44.97116
"630641"	741.12836	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Na-H"	44.97116
"1134880"	277.02356	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Na-H"	44.97116
"175981"	255.041618	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Na"	45.978436
"617003"	371.067818	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Na"	45.978436
"1117588"	139.015418	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Na"	45.978436
"1411695"	93.012704	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+2Na"	46.985712
"1441620"	279.065146	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+HCOOH"	47.012746
"228037"	260.07464	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+3H2O+2H"	56.04448
"1513912"	293.11719	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+IsoProp+H"	61.06479
"411775"	263.028588	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Na+K"	61.952376
"771676"	379.054788	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Na+K"	61.952376
"1667640"	147.002388	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+K"	61.952376
"253430"	528.120568	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+ACN+Na"	64.015768
"1229059"	296.068168	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+Na"	64.015768
"1717944"	296.091693	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4+HCOOH"	64.039293
"1181111"	100.340018	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3Na"	68.967654
"1652464"	301.047088	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+HCOOH"	68.994688
"164429"	541.02384	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2K-H"	76.91904
"599980"	773.07624	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2K-H"	76.91904
"1087774"	308.97144	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K-H"	76.91904
"141797"	271.015558	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2K"	77.926316
"587072"	387.041758	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2K"	77.926316
"1076327"	154.989358	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K"	77.926316
"1108808"	310.985992	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K+H"	78.933592
"1342278"	311.073607	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+DMSO+H"	79.021207
"1009715"	315.112776	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2ACN+H"	83.060376
"1524378"	316.106408	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+IsoProp+Na+H"	84.054008
"990041"	158.060026	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2ACN+2H"	84.067652
"1587572"	317.021028	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K+HCOOH"	84.968628
"1414691"	347.052538	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+CF3COOH"	115.000138
"1147655"	178.573301	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3ACN+2H"	125.094202
"1699760"	364.079085	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4+CF3COOH"	132.026685
"1640878"	369.03448	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+CF3COOH"	136.98208
"1573249"	385.00842	"C18257"	"Pyrene-16-dione;16-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K+CF3COOH"	152.95602
"815280"	232.0524	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M"	0
"989425"	213.03401	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H2O-H"	-19.01839
"74141"	153.694324	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-3H"	-3.021828
"515888"	231.045124	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-3H"	-3.021828
"889318"	76.343524	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-3H"	-3.021828
"14582"	231.045124	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H"	-2.014552
"454630"	347.071324	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H"	-2.014552
"828537"	115.018924	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H"	-2.014552
"93517"	463.097524	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-H"	-1.007276
"533195"	695.149924	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-H"	-1.007276
"904800"	231.045124	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H"	-1.007276
"55892"	480.124071	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+NH4"	16.019271
"495455"	712.176471	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+NH4"	16.019271
"873255"	248.071671	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+NH4"	16.019271
"42248"	485.079466	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+Na"	20.974666
"474153"	717.131866	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+Na"	20.974666
"857431"	253.027066	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+Na"	20.974666
"1625871"	253.027066	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na-2H"	20.974666
"100213"	249.033463	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-H+Cl"	33.962126
"539772"	365.059663	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-H+Cl"	33.962126
"933287"	133.007263	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+Cl"	33.962126
"271847"	499.074202	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Cl"	34.969402
"662082"	731.126602	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Cl"	34.969402
"1278859"	267.021802	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl"	34.969402
"19229"	501.053406	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M-2H+K"	36.948606
"462071"	733.105806	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M-2H+K"	36.948606
"834406"	269.001006	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-2H+K"	36.948606
"1555866"	269.001006	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K-2H"	36.948606
"949057"	277.050594	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+HCOOH"	44.998194
"362171"	509.103001	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+HCOOH-H"	44.998201
"347148"	523.118651	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Hac-H"	59.013851
"1492976"	291.066251	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Hac-H"	59.013851
"959141"	299.032551	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+NaCOOH"	66.980151
"111329"	267.021802	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Cl"	69.938804
"551256"	383.048002	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Cl"	69.938804
"1023705"	150.995602	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Cl"	69.938804
"1243280"	310.971285	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Br"	78.918885
"1307919"	313.027272	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+HCOOH"	80.974872
"1320676"	335.009229	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+NaCOOH"	102.956829
"913320"	345.037986	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M-H+CF3COOH"	112.985586
"1294279"	381.014664	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Cl+CF3COOH"	148.962264
"1371347"	197.039724	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H-2H2O"	-35.012676
"1385563"	215.0497	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H-H2O"	-17.0027
"296184"	465.112076	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H"	1.007276
"683138"	697.164476	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H"	1.007276
"1359487"	233.059676	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H"	1.007276
"131284"	233.059676	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2H"	2.014552
"576314"	349.085876	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2H"	2.014552
"1049488"	117.033476	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2H"	2.014552
"214108"	155.708876	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+3H"	3.021828
"653667"	233.059676	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+3H"	3.021828
"1172889"	78.358076	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3H"	3.021828
"431786"	482.138623	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+NH4"	18.033823
"788407"	714.191023	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+NH4"	18.033823
"1686927"	250.086223	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4"	18.033823
"331679"	241.5729495	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+NH4"	19.041099
"724345"	357.5991495	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+NH4"	19.041099
"1481448"	125.5467495	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+NH4"	19.041099
"397940"	487.094018	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Na"	22.989218
"756019"	719.146418	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Na"	22.989218
"1604845"	255.041618	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na"	22.989218
"320352"	244.050647	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+Na"	23.996494
"712773"	360.076847	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+Na"	23.996494
"1467687"	128.024447	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+Na"	23.996494
"1055466"	85.68539	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2H+Na"	25.00377
"1259331"	265.085886	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+CH3OH+H"	33.033486
"381187"	503.067958	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+K"	38.963158
"739021"	735.120358	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+K"	38.963158
"1540711"	271.015558	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K"	38.963158
"300318"	252.037617	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+H+K"	39.970434
"691765"	368.063817	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+H+K"	39.970434
"1454222"	136.011417	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+K"	39.970434
"241732"	506.138626	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+ACN+H"	42.033826
"1221001"	274.086226	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+H"	42.033826
"1200512"	137.546751	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+2H"	43.041102
"195570"	509.07596	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Na-H"	44.97116
"632211"	741.12836	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Na-H"	44.97116
"1134626"	277.02356	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Na-H"	44.97116
"176455"	255.041618	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2Na"	45.978436
"617477"	371.067818	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2Na"	45.978436
"1118063"	139.015418	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2Na"	45.978436
"1411077"	93.012704	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+2Na"	46.985712
"1441730"	279.065146	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+HCOOH"	47.012746
"229240"	260.07464	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+3H2O+2H"	56.04448
"1516208"	293.11719	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+IsoProp+H"	61.06479
"412614"	263.028588	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+Na+K"	61.952376
"772879"	379.054788	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+Na+K"	61.952376
"1667385"	147.002388	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+K"	61.952376
"253539"	528.120568	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+ACN+Na"	64.015768
"1229168"	296.068168	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+ACN+Na"	64.015768
"1716595"	296.091693	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4+HCOOH"	64.039293
"1181221"	100.340018	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3Na"	68.967654
"1654031"	301.047088	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+HCOOH"	68.994688
"164539"	541.02384	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2K-H"	76.91904
"600091"	773.07624	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2K-H"	76.91904
"1087520"	308.97144	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K-H"	76.91904
"142028"	271.015558	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"2M+2K"	77.926316
"587182"	387.041758	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"3M+2K"	77.926316
"1076437"	154.989358	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K"	77.926316
"1108918"	310.985992	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2K+H"	78.933592
"1342388"	311.073607	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+DMSO+H"	79.021207
"1009825"	315.112776	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2ACN+H"	83.060376
"1524789"	316.106408	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+IsoProp+Na+H"	84.054008
"990751"	158.060026	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+2ACN+2H"	84.067652
"1587804"	317.021028	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K+HCOOH"	84.968628
"1415774"	347.052538	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+H+CF3COOH"	115.000138
"1148131"	178.573301	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+3ACN+2H"	125.094202
"1699870"	364.079085	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+NH4+CF3COOH"	132.026685
"1638801"	369.03448	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+Na+CF3COOH"	136.98208
"1574452"	385.00842	"C18258"	"Pyrene-18-dione;18-Pyrenequinone"	"C16H8O2"	"232.0524"	"M+K+CF3COOH"	152.95602
"816443"	232.0888	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M"	0
"989589"	213.07041	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-H2O-H"	-19.01839
"70971"	153.718590666667	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M-3H"	-3.021828
"513812"	231.081524	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M-3H"	-3.021828
"894896"	76.3556573333333	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-3H"	-3.021828
"13107"	231.081524	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M-2H"	-2.014552
"455468"	347.125924	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M-2H"	-2.014552
"832537"	115.037124	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-2H"	-2.014552
"93743"	463.170324	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M-H"	-1.007276
"531479"	695.259124	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M-H"	-1.007276
"904909"	231.081524	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-H"	-1.007276
"56002"	480.196871	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M-2H+NH4"	16.019271
"495565"	712.285671	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M-2H+NH4"	16.019271
"872273"	248.108071	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-2H+NH4"	16.019271
"40173"	485.152266	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M-2H+Na"	20.974666
"475720"	717.241066	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M-2H+Na"	20.974666
"853165"	253.063466	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-2H+Na"	20.974666
"1629260"	253.063466	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Na-2H"	20.974666
"101416"	249.069863	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M-H+Cl"	33.962126
"538789"	365.114263	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M-H+Cl"	33.962126
"933397"	133.025463	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-H+Cl"	33.962126
"273050"	499.147002	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+Cl"	34.969402
"661825"	731.235802	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+Cl"	34.969402
"1282250"	267.058202	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Cl"	34.969402
"25900"	501.126206	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M-2H+K"	36.948606
"459994"	733.215006	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M-2H+K"	36.948606
"833542"	269.037406	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-2H+K"	36.948606
"1556546"	269.037406	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+K-2H"	36.948606
"945887"	277.086994	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-H+HCOOH"	44.998194
"361913"	509.175801	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+HCOOH-H"	44.998201
"347258"	523.191451	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+Hac-H"	59.013851
"1494384"	291.102651	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Hac-H"	59.013851
"959010"	299.068951	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-H+NaCOOH"	66.980151
"111196"	267.058202	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+2Cl"	69.938804
"551004"	383.102602	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+2Cl"	69.938804
"1022112"	151.013802	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2Cl"	69.938804
"1245578"	311.007685	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Br"	78.918885
"1306935"	313.063672	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Cl+HCOOH"	80.974872
"1322975"	335.045629	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Cl+NaCOOH"	102.956829
"913670"	345.074386	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M-H+CF3COOH"	112.985586
"1290013"	381.051064	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Cl+CF3COOH"	148.962264
"1369998"	197.076124	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H-2H2O"	-35.012676
"1384942"	215.0861	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H-H2O"	-17.0027
"284995"	465.184876	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+H"	1.007276
"677415"	697.273676	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+H"	1.007276
"1359598"	233.096076	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H"	1.007276
"129209"	233.096076	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+2H"	2.014552
"576424"	349.140476	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+2H"	2.014552
"1044495"	117.051676	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2H"	2.014552
"214218"	155.733142666667	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+3H"	3.021828
"652683"	233.096076	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+3H"	3.021828
"1168625"	78.3702093333333	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+3H"	3.021828
"430072"	482.211423	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+NH4"	18.033823
"788149"	714.300223	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+NH4"	18.033823
"1681933"	250.122623	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+NH4"	18.033823
"331666"	241.6093495	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+H+NH4"	19.041099
"724455"	357.6537495	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+H+NH4"	19.041099
"1479370"	125.5649495	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H+NH4"	19.041099
"395132"	487.166818	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+Na"	22.989218
"754233"	719.255618	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+Na"	22.989218
"1604958"	255.078018	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Na"	22.989218
"319369"	244.087047	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+H+Na"	23.996494
"709605"	360.131447	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+H+Na"	23.996494
"1466704"	128.042647	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H+Na"	23.996494
"1055576"	85.6975233333333	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2H+Na"	25.00377
"1259805"	265.122286	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+CH3OH+H"	33.033486
"379110"	503.140758	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+K"	38.963158
"739375"	735.229558	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+K"	38.963158
"1540213"	271.051958	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+K"	38.963158
"302616"	252.074017	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+H+K"	39.970434
"692848"	368.118417	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+H+K"	39.970434
"1452146"	136.029617	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H+K"	39.970434
"241842"	506.211426	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+ACN+H"	42.033826
"1214550"	274.122626	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+ACN+H"	42.033826
"1197707"	137.564951	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+ACN+2H"	43.041102
"194587"	509.14876	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+2Na-H"	44.97116
"633414"	741.23756	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+2Na-H"	44.97116
"1136558"	277.05996	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2Na-H"	44.97116
"176929"	255.078018	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+2Na"	45.978436
"616858"	371.122418	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+2Na"	45.978436
"1118901"	139.033618	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2Na"	45.978436
"1409725"	93.0248373333333	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H+2Na"	46.985712
"1438560"	279.101546	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H+HCOOH"	47.012746
"229350"	260.11104	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+3H2O+2H"	56.04448
"1514495"	293.15359	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+IsoProp+H"	61.06479
"412357"	263.064988	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+Na+K"	61.952376
"771895"	379.109388	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+Na+K"	61.952376
"1666274"	147.020588	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Na+K"	61.952376
"252557"	528.193368	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+ACN+Na"	64.015768
"1227454"	296.104568	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+ACN+Na"	64.015768
"1714269"	296.128093	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+NH4+HCOOH"	64.039293
"1179625"	100.352151333333	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+3Na"	68.967654
"1653410"	301.083488	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Na+HCOOH"	68.994688
"161365"	541.09664	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+2K-H"	76.91904
"603113"	773.18544	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+2K-H"	76.91904
"1089449"	309.00784	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2K-H"	76.91904
"142502"	271.051958	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"2M+2K"	77.926316
"588385"	387.096358	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"3M+2K"	77.926316
"1073995"	155.007558	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2K"	77.926316
"1106112"	311.022392	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2K+H"	78.933592
"1342498"	311.110007	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+DMSO+H"	79.021207
"1009935"	315.149176	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2ACN+H"	83.060376
"1524250"	316.142808	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+IsoProp+Na+H"	84.054008
"991591"	158.078226	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+2ACN+2H"	84.067652
"1587427"	317.057428	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+K+HCOOH"	84.968628
"1415640"	347.088938	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+H+CF3COOH"	115.000138
"1147105"	178.591501	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+3ACN+2H"	125.094202
"1699980"	364.115485	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+NH4+CF3COOH"	132.026685
"1637818"	369.07088	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+Na+CF3COOH"	136.98208
"1572376"	385.04482	"C18259"	"1-Methoxypyrene"	"C17H12O"	"232.0888"	"M+K+CF3COOH"	152.95602
"814771"	262.0994	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M"	0
"988671"	243.08101	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-H2O-H"	-19.01839
"71081"	173.725657333333	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M-3H"	-3.021828
"513922"	261.092124	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M-3H"	-3.021828
"893913"	86.3591906666667	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-3H"	-3.021828
"13217"	261.092124	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M-2H"	-2.014552
"454239"	392.141824	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M-2H"	-2.014552
"829853"	130.042424	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-2H"	-2.014552
"93975"	523.191524	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M-H"	-1.007276
"531590"	785.290924	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M-H"	-1.007276
"906113"	261.092124	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-H"	-1.007276
"52832"	540.218071	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M-2H+NH4"	16.019271
"496768"	802.317471	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M-2H+NH4"	16.019271
"876392"	278.118671	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-2H+NH4"	16.019271
"44657"	545.173466	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M-2H+Na"	20.974666
"476195"	807.272866	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M-2H+Na"	20.974666
"856555"	283.074066	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-2H+Na"	20.974666
"1628277"	283.074066	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Na-2H"	20.974666
"96058"	279.080463	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M-H+Cl"	33.962126
"538899"	410.130163	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M-H+Cl"	33.962126
"933508"	148.030763	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-H+Cl"	33.962126
"275347"	559.168202	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+Cl"	34.969402
"668863"	821.267602	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+Cl"	34.969402
"1282360"	297.068802	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Cl"	34.969402
"27105"	561.147406	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M-2H+K"	36.948606
"460105"	823.246806	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M-2H+K"	36.948606
"834747"	299.048006	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-2H+K"	36.948606
"1563583"	299.048006	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+K-2H"	36.948606
"945997"	307.097594	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-H+HCOOH"	44.998194
"362756"	569.197001	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+HCOOH-H"	44.998201
"347002"	583.212651	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+Hac-H"	59.013851
"1492974"	321.113251	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Hac-H"	59.013851
"962285"	329.079551	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-H+NaCOOH"	66.980151
"110463"	297.068802	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+2Cl"	69.938804
"551114"	428.118502	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+2Cl"	69.938804
"1023195"	166.019102	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2Cl"	69.938804
"1243503"	341.018285	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Br"	78.918885
"1309232"	343.074272	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Cl+HCOOH"	80.974872
"1322721"	365.056229	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Cl+NaCOOH"	102.956829
"914875"	375.084986	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M-H+CF3COOH"	112.985586
"1296686"	411.061664	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Cl+CF3COOH"	148.962264
"1372661"	227.086724	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H-2H2O"	-35.012676
"1389062"	245.0967	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H-H2O"	-17.0027
"289845"	525.206076	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+H"	1.007276
"684456"	787.305476	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+H"	1.007276
"1356432"	263.106676	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H"	1.007276
"132600"	263.106676	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+2H"	2.014552
"578722"	394.156376	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+2H"	2.014552
"1048615"	132.056976	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2H"	2.014552
"216516"	175.740209333333	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+3H"	3.021828
"653889"	263.106676	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+3H"	3.021828
"1168735"	88.3737426666667	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+3H"	3.021828
"430182"	542.232623	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+NH4"	18.033823
"790085"	804.332023	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+NH4"	18.033823
"1684960"	280.133223	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+NH4"	18.033823
"331413"	271.6199495	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+H+NH4"	19.041099
"726020"	402.6696495	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+H+NH4"	19.041099
"1480206"	140.5702495	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H+NH4"	19.041099
"393782"	547.188018	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+Na"	22.989218
"754775"	809.287418	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+Na"	22.989218
"1603286"	285.088618	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Na"	22.989218
"320572"	274.097647	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+H+Na"	23.996494
"711899"	405.147347	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+H+Na"	23.996494
"1469000"	143.047947	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H+Na"	23.996494
"1056779"	95.7010566666667	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2H+Na"	25.00377
"1259914"	295.132886	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+CH3OH+H"	33.033486
"378126"	563.161958	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+K"	38.963158
"740580"	825.261358	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+K"	38.963158
"1541542"	301.062558	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+K"	38.963158
"304915"	282.084617	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+H+K"	39.970434
"691538"	413.134317	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+H+K"	39.970434
"1452256"	151.034917	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H+K"	39.970434
"241952"	566.232626	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+ACN+H"	42.033826
"1211380"	304.133226	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+ACN+H"	42.033826
"1198546"	152.570251	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+ACN+2H"	43.041102
"192510"	569.16996	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+2Na-H"	44.97116
"635351"	831.26936	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+2Na-H"	44.97116
"1134482"	307.07056	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2Na-H"	44.97116
"183239"	285.088618	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+2Na"	45.978436
"616604"	416.138318	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+2Na"	45.978436
"1120107"	154.038918	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2Na"	45.978436
"1411901"	103.028370666667	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H+2Na"	46.985712
"1436484"	309.112146	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H+HCOOH"	47.012746
"227274"	290.12164	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+3H2O+2H"	56.04448
"1513876"	323.16419	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+IsoProp+H"	61.06479
"412832"	293.075588	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+Na+K"	61.952376
"771640"	424.125288	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+Na+K"	61.952376
"1669797"	162.025888	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Na+K"	61.952376
"253399"	588.214568	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+ACN+Na"	64.015768
"1229388"	326.115168	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+ACN+Na"	64.015768
"1715359"	326.138693	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+NH4+HCOOH"	64.039293
"1179619"	110.355684666667	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+3Na"	68.967654
"1655709"	331.094088	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Na+HCOOH"	68.994688
"162572"	601.11784	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+2K-H"	76.91904
"601766"	863.21724	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+2K-H"	76.91904
"1087373"	339.01844	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2K-H"	76.91904
"142005"	301.062558	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"2M+2K"	77.926316
"584121"	432.112258	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"3M+2K"	77.926316
"1077386"	170.012858	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2K"	77.926316
"1106222"	341.032992	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2K+H"	78.933592
"1345888"	341.120607	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+DMSO+H"	79.021207
"1013325"	345.159776	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2ACN+H"	83.060376
"1526105"	346.153408	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+IsoProp+Na+H"	84.054008
"992431"	173.083526	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+2ACN+2H"	84.067652
"1587539"	347.068028	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+K+HCOOH"	84.968628
"1415022"	377.099538	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+H+CF3COOH"	115.000138
"1148351"	193.596801	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+3ACN+2H"	125.094202
"1700090"	394.126085	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+NH4+CF3COOH"	132.026685
"1636835"	399.08148	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+Na+CF3COOH"	136.98208
"1581234"	415.05542	"C18260"	"16-Dimethoxypyrene"	"C18H14O2"	"262.0994"	"M+K+CF3COOH"	152.95602
"815974"	248.0837	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M"	0
"989145"	229.06531	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-H2O-H"	-19.01839
"67911"	164.381857333333	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M-3H"	-3.021828
"517310"	247.076424	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M-3H"	-3.021828
"893900"	81.6872906666667	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-3H"	-3.021828
"15078"	247.076424	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M-2H"	-2.014552
"455081"	371.118274	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M-2H"	-2.014552
"831950"	123.034574	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-2H"	-2.014552
"92871"	495.160124	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M-H"	-1.007276
"531700"	743.243824	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M-H"	-1.007276
"909503"	247.076424	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-H"	-1.007276
"57314"	512.186671	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M-2H+NH4"	16.019271
"497971"	760.270371	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M-2H+NH4"	16.019271
"877595"	264.102971	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-2H+NH4"	16.019271
"45011"	517.142066	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M-2H+Na"	20.974666
"478858"	765.225766	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M-2H+Na"	20.974666
"858851"	269.058366	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-2H+Na"	20.974666
"1629117"	269.058366	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Na-2H"	20.974666
"101636"	265.064763	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M-H+Cl"	33.962126
"542291"	389.106613	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M-H+Cl"	33.962126
"930340"	141.022913	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-H+Cl"	33.962126
"272178"	531.136802	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+Cl"	34.969402
"672253"	779.220502	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+Cl"	34.969402
"1279190"	283.053102	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Cl"	34.969402
"25028"	533.116006	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M-2H+K"	36.948606
"460215"	781.199706	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M-2H+K"	36.948606
"841297"	285.032306	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-2H+K"	36.948606
"1564787"	285.032306	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+K-2H"	36.948606
"949387"	293.081894	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-H+HCOOH"	44.998194
"364324"	541.165601	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+HCOOH-H"	44.998201
"347113"	555.181251	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+Hac-H"	59.013851
"1493394"	307.097551	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Hac-H"	59.013851
"960574"	315.063851	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-H+NaCOOH"	66.980151
"114583"	283.053102	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+2Cl"	69.938804
"554145"	407.094952	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+2Cl"	69.938804
"1023306"	159.011252	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2Cl"	69.938804
"1243615"	327.002585	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Br"	78.918885
"1307159"	329.058572	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Cl+HCOOH"	80.974872
"1329031"	351.040529	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Cl+NaCOOH"	102.956829
"913161"	361.069286	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M-H+CF3COOH"	112.985586
"1293516"	397.045964	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Cl+CF3COOH"	148.962264
"1371679"	213.071024	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H-2H2O"	-35.012676
"1385895"	231.081	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H-H2O"	-17.0027
"285580"	497.174676	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+H"	1.007276
"680189"	745.258376	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+H"	1.007276
"1363102"	249.090976	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H"	1.007276
"134896"	249.090976	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+2H"	2.014552
"574458"	373.132826	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+2H"	2.014552
"1047630"	125.049126	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2H"	2.014552
"212252"	166.396409333333	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+3H"	3.021828
"653999"	249.090976	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+3H"	3.021828
"1172126"	83.7018426666667	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+3H"	3.021828
"428106"	514.201223	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+NH4"	18.033823
"789466"	762.284923	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+NH4"	18.033823
"1686165"	266.117523	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+NH4"	18.033823
"332621"	257.6042495	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+H+NH4"	19.041099
"725768"	381.6460995	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+H+NH4"	19.041099
"1479222"	133.5623995	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H+NH4"	19.041099
"395350"	519.156618	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+Na"	22.989218
"755987"	767.240318	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+Na"	22.989218
"1603111"	271.072918	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Na"	22.989218
"314486"	260.081947	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+H+Na"	23.996494
"709090"	384.123797	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+H+Na"	23.996494
"1464737"	136.040097	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H+Na"	23.996494
"1057982"	91.0291566666667	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2H+Na"	25.00377
"1257477"	281.117186	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+CH3OH+H"	33.033486
"378239"	535.130558	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+K"	38.963158
"741420"	783.214258	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+K"	38.963158
"1545663"	287.046858	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+K"	38.963158
"303933"	268.068917	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+H+K"	39.970434
"691977"	392.110767	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+H+K"	39.970434
"1452366"	144.027067	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H+K"	39.970434
"242062"	538.201226	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+ACN+H"	42.033826
"1212583"	290.117526	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+ACN+H"	42.033826
"1201934"	145.562401	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+ACN+2H"	43.041102
"191527"	541.13856	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+2Na-H"	44.97116
"633274"	789.22226	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+2Na-H"	44.97116
"1136778"	293.05486	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2Na-H"	44.97116
"178242"	271.072918	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+2Na"	45.978436
"617442"	395.114768	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+2Na"	45.978436
"1120946"	147.031068	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2Na"	45.978436
"1407759"	98.3564706666667	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H+2Na"	46.985712
"1437687"	295.096446	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H+HCOOH"	47.012746
"223373"	276.10594	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+3H2O+2H"	56.04448
"1512892"	309.14849	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+IsoProp+H"	61.06479
"412213"	279.059888	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+Na+K"	61.952376
"771386"	403.101738	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+Na+K"	61.952376
"1669176"	155.018038	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Na+K"	61.952376
"254238"	560.183168	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+ACN+Na"	64.015768
"1225806"	312.099468	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+ACN+Na"	64.015768
"1714009"	312.122993	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+NH4+HCOOH"	64.039293
"1181916"	105.683784666667	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+3Na"	68.967654
"1653996"	317.078388	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Na+HCOOH"	68.994688
"158670"	573.08644	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+2K-H"	76.91904
"600781"	821.17014	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+2K-H"	76.91904
"1086752"	325.00274	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2K-H"	76.91904
"141666"	287.046858	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"2M+2K"	77.926316
"584231"	411.088708	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"3M+2K"	77.926316
"1080777"	163.005008	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2K"	77.926316
"1106332"	327.017292	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2K+H"	78.933592
"1349643"	327.104907	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+DMSO+H"	79.021207
"1018903"	331.144076	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2ACN+H"	83.060376
"1526095"	332.137708	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+IsoProp+Na+H"	84.054008
"990719"	166.075676	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+2ACN+2H"	84.067652
"1591417"	333.052328	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+K+HCOOH"	84.968628
"1415619"	363.083838	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+H+CF3COOH"	115.000138
"1149551"	186.588951	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+3ACN+2H"	125.094202
"1700200"	380.110385	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+NH4+CF3COOH"	132.026685
"1636945"	385.06578	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+Na+CF3COOH"	136.98208
"1572596"	401.03972	"C18261"	"1-Hydroxy-6-methoxypyrene;6-Methoxy-1-pyrenol"	"C17H12O2"	"248.0837"	"M+K+CF3COOH"	152.95602
"813898"	248.0837	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M"	0
"989730"	229.06531	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-H2O-H"	-19.01839
"78110"	164.381857333333	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M-3H"	-3.021828
"517791"	247.076424	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M-3H"	-3.021828
"894741"	81.6872906666667	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-3H"	-3.021828
"14781"	247.076424	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M-2H"	-2.014552
"454829"	371.118274	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M-2H"	-2.014552
"832390"	123.034574	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-2H"	-2.014552
"93715"	495.160124	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M-H"	-1.007276
"533396"	743.243824	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M-H"	-1.007276
"909614"	247.076424	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-H"	-1.007276
"61558"	512.186671	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M-2H+NH4"	16.019271
"501490"	760.270371	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M-2H+NH4"	16.019271
"878070"	264.102971	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-2H+NH4"	16.019271
"43783"	517.142066	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M-2H+Na"	20.974666
"480063"	765.225766	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M-2H+Na"	20.974666
"855681"	269.058366	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-2H+Na"	20.974666
"1628134"	269.058366	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Na-2H"	20.974666
"103934"	265.064763	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M-H+Cl"	33.962126
"541308"	389.106613	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M-H+Cl"	33.962126
"933732"	141.022913	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-H+Cl"	33.962126
"269009"	531.136802	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+Cl"	34.969402
"671273"	779.220502	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+Cl"	34.969402
"1282582"	283.053102	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Cl"	34.969402
"19670"	533.116006	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M-2H+K"	36.948606
"463606"	781.199706	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M-2H+K"	36.948606
"843596"	285.032306	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-2H+K"	36.948606
"1565991"	285.032306	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+K-2H"	36.948606
"953872"	293.081894	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-H+HCOOH"	44.998194
"368809"	541.165601	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+HCOOH-H"	44.998201
"350504"	555.181251	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+Hac-H"	59.013851
"1499337"	307.097551	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Hac-H"	59.013851
"960682"	315.063851	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-H+NaCOOH"	66.980151
"113599"	283.053102	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+2Cl"	69.938804
"554255"	407.094952	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+2Cl"	69.938804
"1023416"	159.011252	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2Cl"	69.938804
"1244819"	327.002585	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Br"	78.918885
"1307269"	329.058572	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Cl+HCOOH"	80.974872
"1329141"	351.040529	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Cl+NaCOOH"	102.956829
"912542"	361.069286	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M-H+CF3COOH"	112.985586
"1295813"	397.045964	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Cl+CF3COOH"	148.962264
"1371786"	213.071024	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H-2H2O"	-35.012676
"1391471"	231.081	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H-H2O"	-17.0027
"285690"	497.174676	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+H"	1.007276
"685769"	745.258376	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+H"	1.007276
"1359933"	249.090976	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H"	1.007276
"135009"	249.090976	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+2H"	2.014552
"574569"	373.132826	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+2H"	2.014552
"1046649"	125.049126	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2H"	2.014552
"214550"	166.396409333333	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+3H"	3.021828
"656296"	249.090976	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+3H"	3.021828
"1172236"	83.7018426666667	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+3H"	3.021828
"427487"	514.201223	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+NH4"	18.033823
"789212"	762.284923	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+NH4"	18.033823
"1691744"	266.117523	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+NH4"	18.033823
"338928"	257.6042495	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+H+NH4"	19.041099
"732443"	381.6460995	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+H+NH4"	19.041099
"1484077"	133.5623995	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H+NH4"	19.041099
"401662"	519.156618	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+Na"	22.989218
"757191"	767.240318	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+Na"	22.989218
"1603465"	271.072918	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Na"	22.989218
"316420"	260.081947	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+H+Na"	23.996494
"713214"	384.123797	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+H+Na"	23.996494
"1463757"	136.040097	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H+Na"	23.996494
"1055909"	91.0291566666667	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2H+Na"	25.00377
"1261962"	281.117186	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+CH3OH+H"	33.033486
"381632"	535.130558	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+K"	38.963158
"744814"	783.214258	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+K"	38.963158
"1545775"	287.046858	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+K"	38.963158
"310241"	268.068917	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+H+K"	39.970434
"695371"	392.110767	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+H+K"	39.970434
"1450289"	144.027067	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H+K"	39.970434
"242172"	538.201226	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+ACN+H"	42.033826
"1215973"	290.117526	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+ACN+H"	42.033826
"1204961"	145.562401	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+ACN+2H"	43.041102
"194916"	541.13856	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+2Na-H"	44.97116
"634477"	789.22226	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+2Na-H"	44.97116
"1136888"	293.05486	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2Na-H"	44.97116
"180177"	271.072918	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+2Na"	45.978436
"618647"	395.114768	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+2Na"	45.978436
"1122150"	147.031068	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2Na"	45.978436
"1411149"	98.3564706666667	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H+2Na"	46.985712
"1438890"	295.096446	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H+HCOOH"	47.012746
"224215"	276.10594	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+3H2O+2H"	56.04448
"1514462"	309.14849	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+IsoProp+H"	61.06479
"413418"	279.059888	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+Na+K"	61.952376
"773684"	403.101738	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+Na+K"	61.952376
"1671109"	155.018038	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Na+K"	61.952376
"253618"	560.183168	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+ACN+Na"	64.015768
"1227785"	312.099468	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+ACN+Na"	64.015768
"1713471"	312.122993	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+NH4+HCOOH"	64.039293
"1181299"	105.683784666667	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+3Na"	68.967654
"1654472"	317.078388	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Na+HCOOH"	68.994688
"160969"	573.08644	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+2K-H"	76.91904
"603083"	821.17014	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+2K-H"	76.91904
"1086134"	325.00274	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2K-H"	76.91904
"141734"	287.046858	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"2M+2K"	77.926316
"582029"	411.088708	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"3M+2K"	77.926316
"1077606"	163.005008	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2K"	77.926316
"1102068"	327.017292	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2K+H"	78.933592
"1340640"	327.104907	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+DMSO+H"	79.021207
"1009170"	331.144076	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2ACN+H"	83.060376
"1529482"	332.137708	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+IsoProp+Na+H"	84.054008
"991922"	166.075676	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+2ACN+2H"	84.067652
"1589704"	333.052328	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+K+HCOOH"	84.968628
"1417190"	363.083838	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+H+CF3COOH"	115.000138
"1147720"	186.588951	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+3ACN+2H"	125.094202
"1701403"	380.110385	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+NH4+CF3COOH"	132.026685
"1634501"	385.06578	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+Na+CF3COOH"	136.98208
"1572706"	401.03972	"C18262"	"1-Methoxypyrene-67-oxide"	"C17H12O2"	"248.0837"	"M+K+CF3COOH"	152.95602
"815101"	234.0681	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M"	0
"989735"	215.04971	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H2O-H"	-19.01839
"75784"	155.038124	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-3H"	-3.021828
"513158"	233.060824	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-3H"	-3.021828
"894119"	77.015424	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-3H"	-3.021828
"14525"	233.060824	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H"	-2.014552
"454931"	350.094874	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H"	-2.014552
"830180"	116.026774	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H"	-2.014552
"93826"	467.128924	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-H"	-1.007276
"533871"	701.197024	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-H"	-1.007276
"910579"	233.060824	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H"	-1.007276
"62038"	484.155471	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H+NH4"	16.019271
"502080"	718.223571	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H+NH4"	16.019271
"878546"	250.087371	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H+NH4"	16.019271
"39518"	489.110866	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H+Na"	20.974666
"480173"	723.178966	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H+Na"	20.974666
"857978"	255.042766	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H+Na"	20.974666
"1624236"	255.042766	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na-2H"	20.974666
"96391"	251.049163	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-H+Cl"	33.962126
"535952"	368.083213	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-H+Cl"	33.962126
"927197"	134.015113	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+Cl"	33.962126
"267655"	503.105602	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Cl"	34.969402
"671018"	737.173702	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+Cl"	34.969402
"1280505"	269.037502	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl"	34.969402
"17589"	505.084806	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H+K"	36.948606
"459339"	739.152906	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H+K"	36.948606
"833983"	271.016706	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H+K"	36.948606
"1563914"	271.016706	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K-2H"	36.948606
"949608"	279.066294	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+HCOOH"	44.998194
"363451"	513.134401	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+HCOOH-H"	44.998201
"350613"	527.150051	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Hac-H"	59.013851
"1499447"	293.081951	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Hac-H"	59.013851
"961524"	301.048251	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+NaCOOH"	66.980151
"113710"	269.037502	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2Cl"	69.938804
"555458"	386.071552	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2Cl"	69.938804
"1025348"	152.003452	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2Cl"	69.938804
"1244929"	312.986985	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Br"	78.918885
"1307379"	315.042972	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl+HCOOH"	80.974872
"1332531"	337.024929	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl+NaCOOH"	102.956829
"915936"	347.053686	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+CF3COOH"	112.985586
"1291549"	383.030364	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl+CF3COOH"	148.962264
"1371898"	199.055424	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H-2H2O"	-35.012676
"1387209"	217.0654	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H-H2O"	-17.0027
"290175"	469.143476	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H"	1.007276
"682597"	703.211576	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H"	1.007276
"1358948"	235.075376	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H"	1.007276
"138397"	235.075376	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2H"	2.014552
"579052"	352.109426	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2H"	2.014552
"1046759"	118.041326	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2H"	2.014552
"210287"	157.052676	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+3H"	3.021828
"655316"	235.075376	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+3H"	3.021828
"1170160"	79.029976	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+3H"	3.021828
"430516"	486.170023	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+NH4"	18.033823
"790782"	720.238123	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+NH4"	18.033823
"1688574"	252.101923	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+NH4"	18.033823
"340131"	243.5886495	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H+NH4"	19.041099
"732553"	360.6226995	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H+NH4"	19.041099
"1485280"	126.5545995	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+NH4"	19.041099
"400678"	491.125418	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Na"	22.989218
"755478"	725.193518	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+Na"	22.989218
"1603695"	257.057318	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na"	22.989218
"315801"	246.066347	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H+Na"	23.996494
"708222"	363.100397	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H+Na"	23.996494
"1462284"	129.032297	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+Na"	23.996494
"1057114"	86.35729	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2H+Na"	25.00377
"1265354"	267.101586	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+CH3OH+H"	33.033486
"381741"	507.099358	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+K"	38.963158
"742737"	741.167458	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+K"	38.963158
"1549165"	273.031258	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K"	38.963158
"306340"	254.053317	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H+K"	39.970434
"696577"	371.087367	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H+K"	39.970434
"1450399"	137.019267	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+K"	39.970434
"243375"	510.170026	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+ACN+H"	42.033826
"1216085"	276.101926	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+ACN+H"	42.033826
"1203247"	138.554601	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+ACN+2H"	43.041102
"195026"	513.10736	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2Na-H"	44.97116
"634587"	747.17546	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2Na-H"	44.97116
"1138091"	279.03926	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2Na-H"	44.97116
"182110"	257.057318	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2Na"	45.978436
"618757"	374.091368	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2Na"	45.978436
"1123354"	140.023268	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2Na"	45.978436
"1405792"	93.684604	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+2Na"	46.985712
"1439000"	281.080846	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+HCOOH"	47.012746
"223593"	262.09034	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+3H2O+2H"	56.04448
"1512382"	295.13289	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+IsoProp+H"	61.06479
"412068"	265.044288	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Na+K"	61.952376
"773429"	382.078338	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+Na+K"	61.952376
"1668302"	148.010238	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na+K"	61.952376
"252634"	532.151968	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+ACN+Na"	64.015768
"1225829"	298.083868	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+ACN+Na"	64.015768
"1713135"	298.107393	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+NH4+HCOOH"	64.039293
"1182136"	101.011918	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+3Na"	68.967654
"1653853"	303.062788	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na+HCOOH"	68.994688
"159984"	545.05524	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2K-H"	76.91904
"602096"	779.12334	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2K-H"	76.91904
"1085880"	310.98714	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2K-H"	76.91904
"141443"	273.031258	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2K"	77.926316
"581653"	390.065308	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2K"	77.926316
"1077716"	155.997208	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2K"	77.926316
"1104365"	313.001692	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2K+H"	78.933592
"1340750"	313.089307	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+DMSO+H"	79.021207
"1010373"	317.128476	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2ACN+H"	83.060376
"1529592"	318.122108	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+IsoProp+Na+H"	84.054008
"993854"	159.067876	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2ACN+2H"	84.067652
"1589814"	319.036728	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K+HCOOH"	84.968628
"1417300"	349.068238	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+CF3COOH"	115.000138
"1147588"	179.581151	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+3ACN+2H"	125.094202
"1699327"	366.094785	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+NH4+CF3COOH"	132.026685
"1634365"	371.05018	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na+CF3COOH"	136.98208
"1576096"	387.02412	"C18263"	"16-Dihydroxypyrene;16-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K+CF3COOH"	152.95602
"813025"	234.0681	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M"	0
"989640"	215.04971	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H2O-H"	-19.01839
"76989"	155.038124	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-3H"	-3.021828
"512175"	233.060824	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-3H"	-3.021828
"893257"	77.015424	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-3H"	-3.021828
"15204"	233.060824	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H"	-2.014552
"455163"	350.094874	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H"	-2.014552
"829926"	116.026774	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H"	-2.014552
"91740"	467.128924	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-H"	-1.007276
"534207"	701.197024	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-H"	-1.007276
"911177"	233.060824	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H"	-1.007276
"62513"	484.155471	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H+NH4"	16.019271
"501826"	718.223571	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H+NH4"	16.019271
"872820"	250.087371	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H+NH4"	16.019271
"38535"	489.110866	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H+Na"	20.974666
"483565"	723.178966	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H+Na"	20.974666
"859182"	255.042766	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H+Na"	20.974666
"1625439"	255.042766	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na-2H"	20.974666
"96865"	251.049163	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-H+Cl"	33.962126
"537155"	368.083213	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-H+Cl"	33.962126
"929581"	134.015113	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+Cl"	33.962126
"267889"	503.105602	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Cl"	34.969402
"669306"	737.173702	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+Cl"	34.969402
"1282801"	269.037502	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl"	34.969402
"19888"	505.084806	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M-2H+K"	36.948606
"460543"	739.152906	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M-2H+K"	36.948606
"833972"	271.016706	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-2H+K"	36.948606
"1562932"	271.016706	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K-2H"	36.948606
"954093"	279.066294	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+HCOOH"	44.998194
"366112"	513.134401	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+HCOOH-H"	44.998201
"351817"	527.150051	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Hac-H"	59.013851
"1500651"	293.081951	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Hac-H"	59.013851
"961266"	301.048251	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+NaCOOH"	66.980151
"114913"	269.037502	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2Cl"	69.938804
"555568"	386.071552	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2Cl"	69.938804
"1025822"	152.003452	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2Cl"	69.938804
"1247226"	312.986985	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Br"	78.918885
"1306758"	315.042972	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl+HCOOH"	80.974872
"1328265"	337.024929	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl+NaCOOH"	102.956829
"913860"	347.053686	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M-H+CF3COOH"	112.985586
"1290933"	383.030364	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Cl+CF3COOH"	148.962264
"1370914"	199.055424	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H-2H2O"	-35.012676
"1385497"	217.0654	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H-H2O"	-17.0027
"292472"	469.143476	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H"	1.007276
"688177"	703.211576	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H"	1.007276
"1359060"	235.075376	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H"	1.007276
"134135"	235.075376	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2H"	2.014552
"569323"	352.109426	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2H"	2.014552
"1045775"	118.041326	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2H"	2.014552
"206750"	157.052676	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+3H"	3.021828
"651052"	235.075376	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+3H"	3.021828
"1170271"	79.029976	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+3H"	3.021828
"430626"	486.170023	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+NH4"	18.033823
"791621"	720.238123	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+NH4"	18.033823
"1688684"	252.101923	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+NH4"	18.033823
"336961"	243.5886495	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H+NH4"	19.041099
"730476"	360.6226995	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H+NH4"	19.041099
"1485391"	126.5545995	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+NH4"	19.041099
"393007"	491.125418	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Na"	22.989218
"756318"	725.193518	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+Na"	22.989218
"1603192"	257.057318	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na"	22.989218
"315668"	246.066347	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H+Na"	23.996494
"708454"	363.100397	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H+Na"	23.996494
"1462395"	129.032297	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+Na"	23.996494
"1059412"	86.35729	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2H+Na"	25.00377
"1266557"	267.101586	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+CH3OH+H"	33.033486
"382944"	507.099358	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+K"	38.963158
"740659"	741.167458	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+K"	38.963158
"1547088"	273.031258	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K"	38.963158
"306450"	254.053317	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+H+K"	39.970434
"696687"	371.087367	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+H+K"	39.970434
"1454883"	137.019267	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+K"	39.970434
"245673"	510.170026	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+ACN+H"	42.033826
"1218383"	276.101926	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+ACN+H"	42.033826
"1207732"	138.554601	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+ACN+2H"	43.041102
"194043"	513.10736	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2Na-H"	44.97116
"637977"	747.17546	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2Na-H"	44.97116
"1139296"	279.03926	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2Na-H"	44.97116
"182221"	257.057318	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2Na"	45.978436
"622147"	374.091368	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2Na"	45.978436
"1123464"	140.023268	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2Na"	45.978436
"1404808"	93.684604	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+2Na"	46.985712
"1435831"	281.080846	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+HCOOH"	47.012746
"222609"	262.09034	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+3H2O+2H"	56.04448
"1512858"	295.13289	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+IsoProp+H"	61.06479
"411086"	265.044288	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+Na+K"	61.952376
"772084"	382.078338	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+Na+K"	61.952376
"1669147"	148.010238	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na+K"	61.952376
"254202"	532.151968	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+ACN+Na"	64.015768
"1228004"	298.083868	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+ACN+Na"	64.015768
"1713365"	298.107393	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+NH4+HCOOH"	64.039293
"1182246"	101.011918	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+3Na"	68.967654
"1653963"	303.062788	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na+HCOOH"	68.994688
"160094"	545.05524	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2K-H"	76.91904
"600383"	779.12334	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2K-H"	76.91904
"1086353"	310.98714	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2K-H"	76.91904
"142323"	273.031258	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"2M+2K"	77.926316
"581881"	390.065308	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"3M+2K"	77.926316
"1073452"	155.997208	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2K"	77.926316
"1101195"	313.001692	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2K+H"	78.933592
"1335872"	313.089307	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+DMSO+H"	79.021207
"1007202"	317.128476	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2ACN+H"	83.060376
"1524959"	318.122108	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+IsoProp+Na+H"	84.054008
"991777"	159.067876	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+2ACN+2H"	84.067652
"1587369"	319.036728	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K+HCOOH"	84.968628
"1417410"	349.068238	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+H+CF3COOH"	115.000138
"1148060"	179.581151	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+3ACN+2H"	125.094202
"1697487"	366.094785	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+NH4+CF3COOH"	132.026685
"1635087"	371.05018	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+Na+CF3COOH"	136.98208
"1576206"	387.02412	"C18264"	"18-Dihydroxypyrene;18-Pyrenediol"	"C16H10O2"	"234.0681"	"M+K+CF3COOH"	152.95602
"816293"	234.0681	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M"	0
"989630"	215.04971	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-H2O-H"	-19.01839
"71630"	155.038124	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M-3H"	-3.021828
"514471"	233.060824	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M-3H"	-3.021828
"894460"	77.015424	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-3H"	-3.021828
"15111"	233.060824	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M-2H"	-2.014552
"455030"	350.094874	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M-2H"	-2.014552
"829306"	116.026774	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-2H"	-2.014552
"92578"	467.128924	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M-H"	-1.007276
"534093"	701.197024	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M-H"	-1.007276
"911170"	233.060824	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-H"	-1.007276
"62625"	484.155471	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M-2H+NH4"	16.019271
"502057"	718.223571	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M-2H+NH4"	16.019271
"872930"	250.087371	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-2H+NH4"	16.019271
"40831"	489.110866	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M-2H+Na"	20.974666
"480394"	723.178966	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M-2H+Na"	20.974666
"858198"	255.042766	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-2H+Na"	20.974666
"1626646"	255.042766	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Na-2H"	20.974666
"97707"	251.049163	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M-H+Cl"	33.962126
"538362"	368.083213	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M-H+Cl"	33.962126
"934064"	134.015113	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-H+Cl"	33.962126
"270068"	503.105602	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+Cl"	34.969402
"666135"	737.173702	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+Cl"	34.969402
"1280725"	269.037502	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Cl"	34.969402
"18537"	505.084806	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M-2H+K"	36.948606
"458101"	739.152906	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M-2H+K"	36.948606
"834444"	271.016706	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-2H+K"	36.948606
"1565229"	271.016706	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+K-2H"	36.948606
"950923"	279.066294	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-H+HCOOH"	44.998194
"367315"	513.134401	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+HCOOH-H"	44.998201
"354113"	527.150051	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+Hac-H"	59.013851
"1500760"	293.081951	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Hac-H"	59.013851
"962107"	301.048251	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-H+NaCOOH"	66.980151
"113933"	269.037502	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+2Cl"	69.938804
"552397"	386.071552	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+2Cl"	69.938804
"1024480"	152.003452	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2Cl"	69.938804
"1249523"	312.986985	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Br"	78.918885
"1308691"	315.042972	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Cl+HCOOH"	80.974872
"1328375"	337.024929	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Cl+NaCOOH"	102.956829
"912511"	347.053686	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M-H+CF3COOH"	112.985586
"1291043"	383.030364	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Cl+CF3COOH"	148.962264
"1372120"	199.055424	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H-2H2O"	-35.012676
"1385244"	217.0654	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H-H2O"	-17.0027
"294770"	469.143476	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+H"	1.007276
"687193"	703.211576	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+H"	1.007276
"1360264"	235.075376	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H"	1.007276
"135339"	235.075376	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+2H"	2.014552
"572715"	352.109426	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+2H"	2.014552
"1049896"	118.041326	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2H"	2.014552
"210508"	157.052676	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+3H"	3.021828
"652256"	235.075376	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+3H"	3.021828
"1171474"	79.029976	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+3H"	3.021828
"433652"	486.170023	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+NH4"	18.033823
"794647"	720.238123	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+NH4"	18.033823
"1688794"	252.101923	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+NH4"	18.033823
"334885"	243.5886495	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+H+NH4"	19.041099
"730589"	360.6226995	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+H+NH4"	19.041099
"1487688"	126.5545995	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H+NH4"	19.041099
"401994"	491.125418	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+Na"	22.989218
"759708"	725.193518	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+Na"	22.989218
"1603019"	257.057318	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Na"	22.989218
"315778"	246.066347	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+H+Na"	23.996494
"710267"	363.100397	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+H+Na"	23.996494
"1467369"	129.032297	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H+Na"	23.996494
"1062802"	86.35729	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2H+Na"	25.00377
"1266666"	267.101586	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+CH3OH+H"	33.033486
"381961"	507.099358	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+K"	38.963158
"741863"	741.167458	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+K"	38.963158
"1543915"	273.031258	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+K"	38.963158
"305466"	254.053317	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+H+K"	39.970434
"702266"	371.087367	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+H+K"	39.970434
"1453901"	137.019267	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H+K"	39.970434
"242503"	510.170026	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+ACN+H"	42.033826
"1218494"	276.101926	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+ACN+H"	42.033826
"1203469"	138.554601	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+ACN+2H"	43.041102
"197434"	513.10736	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+2Na-H"	44.97116
"638089"	747.17546	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+2Na-H"	44.97116
"1140499"	279.03926	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2Na-H"	44.97116
"185978"	257.057318	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+2Na"	45.978436
"623351"	374.091368	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+2Na"	45.978436
"1127953"	140.023268	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2Na"	45.978436
"1407106"	93.684604	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H+2Na"	46.985712
"1438128"	281.080846	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H+HCOOH"	47.012746
"224544"	262.09034	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+3H2O+2H"	56.04448
"1512240"	295.13289	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+IsoProp+H"	61.06479
"412289"	265.044288	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+Na+K"	61.952376
"772924"	382.078338	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+Na+K"	61.952376
"1669622"	148.010238	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Na+K"	61.952376
"255041"	532.151968	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+ACN+Na"	64.015768
"1227751"	298.083868	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+ACN+Na"	64.015768
"1716273"	298.107393	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+NH4+HCOOH"	64.039293
"1183086"	101.011918	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+3Na"	68.967654
"1654439"	303.062788	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Na+HCOOH"	68.994688
"160933"	545.05524	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+2K-H"	76.91904
"597940"	779.12334	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+2K-H"	76.91904
"1085369"	310.98714	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2K-H"	76.91904
"143160"	273.031258	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"2M+2K"	77.926316
"582847"	390.065308	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"3M+2K"	77.926316
"1073562"	155.997208	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2K"	77.926316
"1104585"	313.001692	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2K+H"	78.933592
"1336469"	313.089307	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+DMSO+H"	79.021207
"1007675"	317.128476	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2ACN+H"	83.060376
"1526163"	318.122108	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+IsoProp+Na+H"	84.054008
"994074"	159.067876	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+2ACN+2H"	84.067652
"1588939"	319.036728	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+K+HCOOH"	84.968628
"1416427"	349.068238	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+H+CF3COOH"	115.000138
"1152183"	179.581151	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+3ACN+2H"	125.094202
"1698206"	366.094785	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+NH4+CF3COOH"	132.026685
"1635197"	371.05018	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+Na+CF3COOH"	136.98208
"1576316"	387.02412	"C18265"	"1-Hydroxypyrene-67-oxide"	"C16H10O2"	"234.0681"	"M+K+CF3COOH"	152.95602
"813245"	234.0681	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M"	0
"989454"	215.04971	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-H2O-H"	-19.01839
"71740"	155.038124	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M-3H"	-3.021828
"514581"	233.060824	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M-3H"	-3.021828
"894936"	77.015424	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-3H"	-3.021828
"15221"	233.060824	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M-2H"	-2.014552
"454532"	350.094874	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M-2H"	-2.014552
"829416"	116.026774	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-2H"	-2.014552
"89407"	467.128924	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M-H"	-1.007276
"533589"	701.197024	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M-H"	-1.007276
"903491"	233.060824	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-H"	-1.007276
"58958"	484.155471	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M-2H+NH4"	16.019271
"502045"	718.223571	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M-2H+NH4"	16.019271
"873040"	250.087371	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-2H+NH4"	16.019271
"40941"	489.110866	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M-2H+Na"	20.974666
"479411"	723.178966	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M-2H+Na"	20.974666
"858308"	255.042766	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-2H+Na"	20.974666
"1627848"	255.042766	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Na-2H"	20.974666
"102189"	251.049163	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M-H+Cl"	33.962126
"538472"	368.083213	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M-H+Cl"	33.962126
"936360"	134.015113	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-H+Cl"	33.962126
"270542"	503.105602	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+Cl"	34.969402
"662965"	737.173702	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+Cl"	34.969402
"1281929"	269.037502	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Cl"	34.969402
"17920"	505.084806	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M-2H+K"	36.948606
"457484"	739.152906	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M-2H+K"	36.948606
"835286"	271.016706	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-2H+K"	36.948606
"1567523"	271.016706	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+K-2H"	36.948606
"952126"	279.066294	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-H+HCOOH"	44.998194
"369249"	513.134401	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+HCOOH-H"	44.998201
"353495"	527.150051	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+Hac-H"	59.013851
"1495402"	293.081951	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Hac-H"	59.013851
"961488"	301.048251	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-H+NaCOOH"	66.980151
"114407"	269.037502	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+2Cl"	69.938804
"550684"	386.071552	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+2Cl"	69.938804
"1025682"	152.003452	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2Cl"	69.938804
"1243439"	312.986985	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Br"	78.918885
"1307709"	315.042972	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Cl+HCOOH"	80.974872
"1327393"	337.024929	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Cl+NaCOOH"	102.956829
"912379"	347.053686	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M-H+CF3COOH"	112.985586
"1290424"	383.030364	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Cl+CF3COOH"	148.962264
"1372229"	199.055424	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H-2H2O"	-35.012676
"1386812"	217.0654	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H-H2O"	-17.0027
"290507"	469.143476	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+H"	1.007276
"684023"	703.211576	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+H"	1.007276
"1360375"	235.075376	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H"	1.007276
"132170"	235.075376	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+2H"	2.014552
"572823"	352.109426	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+2H"	2.014552
"1048183"	118.041326	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2H"	2.014552
"212805"	157.052676	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+3H"	3.021828
"658560"	235.075376	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+3H"	3.021828
"1172678"	79.029976	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+3H"	3.021828
"433762"	486.170023	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+NH4"	18.033823
"793664"	720.238123	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+NH4"	18.033823
"1688904"	252.101923	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+NH4"	18.033823
"334995"	243.5886495	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+H+NH4"	19.041099
"731792"	360.6226995	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+H+NH4"	19.041099
"1488891"	126.5545995	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H+NH4"	19.041099
"402104"	491.125418	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+Na"	22.989218
"759820"	725.193518	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+Na"	22.989218
"1605730"	257.057318	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Na"	22.989218
"321235"	246.066347	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+H+Na"	23.996494
"712565"	363.100397	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+H+Na"	23.996494
"1465293"	129.032297	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H+Na"	23.996494
"1062548"	86.35729	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2H+Na"	25.00377
"1262402"	267.101586	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+CH3OH+H"	33.033486
"380977"	507.099358	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+K"	38.963158
"743068"	741.167458	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+K"	38.963158
"1548401"	273.031258	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+K"	38.963158
"305575"	254.053317	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+H+K"	39.970434
"699095"	371.087367	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+H+K"	39.970434
"1450731"	137.019267	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H+K"	39.970434
"243706"	510.170026	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+ACN+H"	42.033826
"1217510"	276.101926	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+ACN+H"	42.033826
"1203580"	138.554601	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+ACN+2H"	43.041102
"199731"	513.10736	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+2Na-H"	44.97116
"637106"	747.17546	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+2Na-H"	44.97116
"1138423"	279.03926	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2Na-H"	44.97116
"183903"	257.057318	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+2Na"	45.978436
"619452"	374.091368	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+2Na"	45.978436
"1121502"	140.023268	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2Na"	45.978436
"1401749"	93.684604	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H+2Na"	46.985712
"1437143"	281.080846	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H+HCOOH"	47.012746
"224654"	262.09034	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+3H2O+2H"	56.04448
"1511257"	295.13289	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+IsoProp+H"	61.06479
"411306"	265.044288	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+Na+K"	61.952376
"772308"	382.078338	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+Na+K"	61.952376
"1668639"	148.010238	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Na+K"	61.952376
"253696"	532.151968	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+ACN+Na"	64.015768
"1227136"	298.083868	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+ACN+Na"	64.015768
"1715656"	298.107393	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+NH4+HCOOH"	64.039293
"1186479"	101.011918	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+3Na"	68.967654
"1655279"	303.062788	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Na+HCOOH"	68.994688
"162141"	545.05524	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+2K-H"	76.91904
"600606"	779.12334	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+2K-H"	76.91904
"1086211"	310.98714	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2K-H"	76.91904
"142906"	273.031258	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"2M+2K"	77.926316
"582715"	390.065308	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"3M+2K"	77.926316
"1076952"	155.997208	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2K"	77.926316
"1105789"	313.001692	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2K+H"	78.933592
"1337433"	313.089307	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+DMSO+H"	79.021207
"1006689"	317.128476	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2ACN+H"	83.060376
"1525054"	318.122108	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+IsoProp+Na+H"	84.054008
"991630"	159.067876	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+2ACN+2H"	84.067652
"1589047"	319.036728	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+K+HCOOH"	84.968628
"1419816"	349.068238	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+H+CF3COOH"	115.000138
"1152293"	179.581151	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+3ACN+2H"	125.094202
"1699657"	366.094785	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+NH4+CF3COOH"	132.026685
"1634938"	371.05018	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+Na+CF3COOH"	136.98208
"1576426"	387.02412	"C18266"	"1-Hydroxypyrene-78-oxide"	"C16H10O2"	"234.0681"	"M+K+CF3COOH"	152.95602
"814448"	218.0732	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M"	0
"987983"	199.05481	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-H2O-H"	-19.01839
"71850"	144.374857333333	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M-3H"	-3.021828
"516879"	217.065924	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M-3H"	-3.021828
"890305"	71.6837906666667	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-3H"	-3.021828
"14357"	217.065924	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M-2H"	-2.014552
"454400"	326.102524	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M-2H"	-2.014552
"829527"	108.029324	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-2H"	-2.014552
"89517"	435.139124	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M-H"	-1.007276
"534029"	653.212324	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M-H"	-1.007276
"904694"	217.065924	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-H"	-1.007276
"60041"	452.165671	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M-2H+NH4"	16.019271
"501427"	670.238871	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M-2H+NH4"	16.019271
"873150"	234.092471	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-2H+NH4"	16.019271
"38863"	457.121066	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M-2H+Na"	20.974666
"479521"	675.194266	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M-2H+Na"	20.974666
"857325"	239.047866	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-2H+Na"	20.974666
"1627953"	239.047866	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Na-2H"	20.974666
"101206"	235.054263	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M-H+Cl"	33.962126
"537487"	344.090863	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M-H+Cl"	33.962126
"931366"	126.017663	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-H+Cl"	33.962126
"269560"	471.115802	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+Cl"	34.969402
"666355"	689.189002	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+Cl"	34.969402
"1283132"	253.042602	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Cl"	34.969402
"18031"	473.095006	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M-2H+K"	36.948606
"455819"	691.168206	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M-2H+K"	36.948606
"835396"	255.021806	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-2H+K"	36.948606
"1564353"	255.021806	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+K-2H"	36.948606
"952236"	263.071394	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-H+HCOOH"	44.998194
"369359"	481.144601	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+HCOOH-H"	44.998201
"353241"	495.160251	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+Hac-H"	59.013851
"1496242"	277.087051	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Hac-H"	59.013851
"965246"	285.053351	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-H+NaCOOH"	66.980151
"113424"	253.042602	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+2Cl"	69.938804
"552984"	362.079202	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+2Cl"	69.938804
"1023607"	144.006002	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2Cl"	69.938804
"1244279"	296.992085	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Br"	78.918885
"1306726"	299.048072	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Cl+HCOOH"	80.974872
"1327503"	321.030029	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Cl+NaCOOH"	102.956829
"911378"	331.058786	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M-H+CF3COOH"	112.985586
"1290535"	367.035464	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Cl+CF3COOH"	148.962264
"1369059"	183.060524	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H-2H2O"	-35.012676
"1385461"	201.0705	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H-H2O"	-17.0027
"285514"	437.153676	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+H"	1.007276
"678666"	655.226876	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+H"	1.007276
"1355015"	219.080476	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H"	1.007276
"138837"	219.080476	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+2H"	2.014552
"575118"	328.117076	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+2H"	2.014552
"1048293"	110.043876	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2H"	2.014552
"212915"	146.389409333333	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+3H"	3.021828
"654663"	219.080476	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+3H"	3.021828
"1170601"	73.6983426666667	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+3H"	3.021828
"432780"	454.180223	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+NH4"	18.033823
"797056"	672.253423	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+NH4"	18.033823
"1689014"	236.107023	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+NH4"	18.033823
"337293"	227.5937495	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+H+NH4"	19.041099
"730808"	336.6303495	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+H+NH4"	19.041099
"1486816"	118.5571495	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H+NH4"	19.041099
"402216"	459.135618	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+Na"	22.989218
"759931"	677.208818	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+Na"	22.989218
"1608029"	241.062418	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Na"	22.989218
"318063"	230.071447	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+H+Na"	23.996494
"712674"	339.108047	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+H+Na"	23.996494
"1468682"	121.034847	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H+Na"	23.996494
"1063023"	81.0256566666667	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2H+Na"	25.00377
"1264699"	251.106686	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+CH3OH+H"	33.033486
"386921"	475.109558	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+K"	38.963158
"743176"	693.182758	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+K"	38.963158
"1549604"	257.036358	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+K"	38.963158
"307871"	238.058417	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+H+K"	39.970434
"700298"	347.095017	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+H+K"	39.970434
"1450841"	129.021817	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H+K"	39.970434
"240540"	478.180226	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+ACN+H"	42.033826
"1219808"	260.107026	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+ACN+H"	42.033826
"1203692"	130.557151	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+ACN+2H"	43.041102
"197654"	481.11756	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+2Na-H"	44.97116
"636123"	699.19076	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+2Na-H"	44.97116
"1142542"	263.04436	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2Na-H"	44.97116
"180733"	241.062418	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+2Na"	45.978436
"624303"	350.099018	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+2Na"	45.978436
"1122703"	132.025818	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2Na"	45.978436
"1404044"	88.3529706666667	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H+2Na"	46.985712
"1435068"	265.085946	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H+HCOOH"	47.012746
"224764"	246.09544	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+3H2O+2H"	56.04448
"1511367"	279.13799	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+IsoProp+H"	61.06479
"411416"	249.049388	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+Na+K"	61.952376
"772416"	358.085988	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+Na+K"	61.952376
"1667653"	140.012788	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Na+K"	61.952376
"253078"	500.162168	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+ACN+Na"	64.015768
"1227978"	282.088968	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+ACN+Na"	64.015768
"1716862"	282.112493	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+NH4+HCOOH"	64.039293
"1181484"	95.6802846666667	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+3Na"	68.967654
"1654659"	287.067888	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Na+HCOOH"	68.994688
"162250"	513.06544	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+2K-H"	76.91904
"599622"	731.13864	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+2K-H"	76.91904
"1084285"	294.99224	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2K-H"	76.91904
"142408"	257.036358	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"2M+2K"	77.926316
"582579"	366.072958	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"3M+2K"	77.926316
"1073782"	147.999758	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2K"	77.926316
"1106993"	297.006792	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2K+H"	78.933592
"1337543"	297.094407	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+DMSO+H"	79.021207
"1007041"	301.133576	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2ACN+H"	83.060376
"1524229"	302.127208	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+IsoProp+Na+H"	84.054008
"991740"	151.070426	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+2ACN+2H"	84.067652
"1588428"	303.041828	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+K+HCOOH"	84.968628
"1416646"	333.073338	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+H+CF3COOH"	115.000138
"1152403"	171.583701	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+3ACN+2H"	125.094202
"1699767"	350.099885	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+NH4+CF3COOH"	132.026685
"1634563"	355.05528	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+Na+CF3COOH"	136.98208
"1576536"	371.02922	"C18267"	"Pyrene-12-oxide"	"C16H10O"	"218.0732"	"M+K+CF3COOH"	152.95602
"813464"	218.0732	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M"	0
"989066"	199.05481	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-H2O-H"	-19.01839
"75970"	144.374857333333	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M-3H"	-3.021828
"517233"	217.065924	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M-3H"	-3.021828
"893695"	71.6837906666667	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-3H"	-3.021828
"14594"	217.065924	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M-2H"	-2.014552
"454515"	326.102524	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M-2H"	-2.014552
"832317"	108.029324	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-2H"	-2.014552
"91696"	435.139124	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M-H"	-1.007276
"532107"	653.212324	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M-H"	-1.007276
"905897"	217.065924	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-H"	-1.007276
"59178"	452.165671	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M-2H+NH4"	16.019271
"496554"	670.238871	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M-2H+NH4"	16.019271
"869979"	234.092471	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-2H+NH4"	16.019271
"36786"	457.121066	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M-2H+Na"	20.974666
"484009"	675.194266	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M-2H+Na"	20.974666
"855249"	239.047866	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-2H+Na"	20.974666
"1632439"	239.047866	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Na-2H"	20.974666
"98038"	235.054263	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M-H+Cl"	33.962126
"543065"	344.090863	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M-H+Cl"	33.962126
"935487"	126.017663	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-H+Cl"	33.962126
"276231"	471.115802	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+Cl"	34.969402
"673027"	689.189002	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+Cl"	34.969402
"1284337"	253.042602	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Cl"	34.969402
"16154"	473.095006	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M-2H+K"	36.948606
"456161"	691.168206	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M-2H+K"	36.948606
"833192"	255.021806	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-2H+K"	36.948606
"1564463"	255.021806	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+K-2H"	36.948606
"954899"	263.071394	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-H+HCOOH"	44.998194
"371657"	481.144601	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+HCOOH-H"	44.998201
"351165"	495.160251	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+Hac-H"	59.013851
"1496717"	277.087051	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Hac-H"	59.013851
"968638"	285.053351	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-H+NaCOOH"	66.980151
"114628"	253.042602	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+2Cl"	69.938804
"557104"	362.079202	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+2Cl"	69.938804
"1023717"	144.006002	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2Cl"	69.938804
"1245845"	296.992085	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Br"	78.918885
"1307199"	299.048072	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Cl+HCOOH"	80.974872
"1329801"	321.030029	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Cl+NaCOOH"	102.956829
"917584"	331.058786	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M-H+CF3COOH"	112.985586
"1296843"	367.035464	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Cl+CF3COOH"	148.962264
"1368808"	183.060524	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H-2H2O"	-35.012676
"1386304"	201.0705	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H-H2O"	-17.0027
"295105"	437.153676	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+H"	1.007276
"680965"	655.226876	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+H"	1.007276
"1360594"	219.080476	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H"	1.007276
"137493"	219.080476	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+2H"	2.014552
"575960"	328.117076	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+2H"	2.014552
"1048406"	110.043876	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2H"	2.014552
"214119"	146.389409333333	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+3H"	3.021828
"658055"	219.080476	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+3H"	3.021828
"1175086"	73.6983426666667	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+3H"	3.021828
"436171"	454.180223	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+NH4"	18.033823
"798259"	672.253423	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+NH4"	18.033823
"1689128"	236.107023	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+NH4"	18.033823
"336313"	227.5937495	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+H+NH4"	19.041099
"730922"	336.6303495	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+H+NH4"	19.041099
"1485836"	118.5571495	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H+NH4"	19.041099
"400141"	459.135618	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+Na"	22.989218
"756762"	677.208818	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+Na"	22.989218
"1608142"	241.062418	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Na"	22.989218
"323643"	230.071447	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+H+Na"	23.996494
"711693"	339.108047	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+H+Na"	23.996494
"1469524"	121.034847	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H+Na"	23.996494
"1064594"	81.0256566666667	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2H+Na"	25.00377
"1266996"	251.106686	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+CH3OH+H"	33.033486
"384479"	475.109558	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+K"	38.963158
"742192"	693.182758	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+K"	38.963158
"1548621"	257.036358	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+K"	38.963158
"307981"	238.058417	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+H+K"	39.970434
"699317"	347.095017	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+H+K"	39.970434
"1454959"	129.021817	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H+K"	39.970434
"247941"	478.180226	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+ACN+H"	42.033826
"1222835"	260.107026	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+ACN+H"	42.033826
"1204895"	130.557151	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+ACN+2H"	43.041102
"202992"	481.11756	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+2Na-H"	44.97116
"642678"	699.19076	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+2Na-H"	44.97116
"1145208"	263.04436	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2Na-H"	44.97116
"185223"	241.062418	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+2Na"	45.978436
"624416"	350.099018	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+2Na"	45.978436
"1125003"	132.025818	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2Na"	45.978436
"1406341"	88.3529706666667	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H+2Na"	46.985712
"1437365"	265.085946	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H+HCOOH"	47.012746
"224874"	246.09544	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+3H2O+2H"	56.04448
"1510383"	279.13799	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+IsoProp+H"	61.06479
"411162"	249.049388	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+Na+K"	61.952376
"775809"	358.085988	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+Na+K"	61.952376
"1673233"	140.012788	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Na+K"	61.952376
"252826"	500.162168	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+ACN+Na"	64.015768
"1230275"	282.088968	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+ACN+Na"	64.015768
"1718796"	282.112493	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+NH4+HCOOH"	64.039293
"1184514"	95.6802846666667	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+3Na"	68.967654
"1653313"	287.067888	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Na+HCOOH"	68.994688
"161269"	513.06544	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+2K-H"	76.91904
"600829"	731.13864	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+2K-H"	76.91904
"1089716"	294.99224	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2K-H"	76.91904
"147623"	257.036358	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"2M+2K"	77.926316
"582203"	366.072958	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"3M+2K"	77.926316
"1068899"	147.999758	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2K"	77.926316
"1102728"	297.006792	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2K+H"	78.933592
"1337653"	297.094407	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+DMSO+H"	79.021207
"1006908"	301.133576	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2ACN+H"	83.060376
"1524462"	302.127208	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+IsoProp+Na+H"	84.054008
"991121"	151.070426	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+2ACN+2H"	84.067652
"1589271"	303.041828	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+K+HCOOH"	84.968628
"1415662"	333.073338	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+H+CF3COOH"	115.000138
"1155794"	171.583701	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+3ACN+2H"	125.094202
"1700970"	350.099885	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+NH4+CF3COOH"	132.026685
"1635162"	355.05528	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+Na+CF3COOH"	136.98208
"1582114"	371.02922	"C18268"	"2-Hydroxypyrene;2-Pyrenol"	"C16H10O"	"218.0732"	"M+K+CF3COOH"	152.95602
"809199"	298.03	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M"	0
"986013"	279.01161	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-H2O-H"	-19.01839
"68787"	197.679390666667	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M-3H"	-3.021828
"506160"	297.022724	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M-3H"	-3.021828
"895387"	98.3360573333333	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-3H"	-3.021828
"13476"	297.022724	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M-2H"	-2.014552
"451941"	446.037724	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M-2H"	-2.014552
"829744"	148.007724	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-2H"	-2.014552
"93018"	595.052724	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M-H"	-1.007276
"533758"	893.082724	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M-H"	-1.007276
"910836"	297.022724	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-H"	-1.007276
"62539"	612.079271	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M-2H+NH4"	16.019271
"501765"	910.109271	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M-2H+NH4"	16.019271
"878231"	314.049271	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-2H+NH4"	16.019271
"43456"	617.034666	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M-2H+Na"	20.974666
"478649"	915.064666	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M-2H+Na"	20.974666
"856449"	319.004666	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-2H+Na"	20.974666
"1623800"	319.004666	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Na-2H"	20.974666
"97054"	315.011063	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M-H+Cl"	33.962126
"540987"	464.026063	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M-H+Cl"	33.962126
"935596"	165.996063	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-H+Cl"	33.962126
"276339"	631.029402	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+Cl"	34.969402
"669854"	929.059402	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+Cl"	34.969402
"1286630"	332.999402	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Cl"	34.969402
"17399"	633.008606	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M-2H+K"	36.948606
"456475"	931.038606	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M-2H+K"	36.948606
"837801"	334.978606	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-2H+K"	36.948606
"1560197"	334.978606	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+K-2H"	36.948606
"952456"	343.028194	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-H+HCOOH"	44.998194
"368485"	641.058201	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+HCOOH-H"	44.998201
"355647"	655.073851	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+Hac-H"	59.013851
"1500106"	357.043851	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Hac-H"	59.013851
"961457"	365.010151	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-H+NaCOOH"	66.980151
"113644"	332.999402	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+2Cl"	69.938804
"555027"	482.014402	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+2Cl"	69.938804
"1024919"	183.984402	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2Cl"	69.938804
"1251057"	376.948885	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Br"	78.918885
"1310225"	379.004872	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Cl+HCOOH"	80.974872
"1325534"	400.986829	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Cl+NaCOOH"	102.956829
"914047"	411.015586	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M-H+CF3COOH"	112.985586
"1292578"	446.992264	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Cl+CF3COOH"	148.962264
"1368917"	263.017324	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H-2H2O"	-35.012676
"1383861"	281.0273	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H-H2O"	-17.0027
"289747"	597.067276	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+H"	1.007276
"679982"	895.097276	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+H"	1.007276
"1356332"	299.037276	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H"	1.007276
"132502"	299.037276	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+2H"	2.014552
"576436"	448.052276	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+2H"	2.014552
"1049976"	150.022276	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2H"	2.014552
"218603"	199.693942666667	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+3H"	3.021828
"659258"	299.037276	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+3H"	3.021828
"1173008"	100.350609333333	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+3H"	3.021828
"436281"	614.093823	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+NH4"	18.033823
"798369"	912.123823	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+NH4"	18.033823
"1693611"	316.063823	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+NH4"	18.033823
"334237"	307.5505495	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+H+NH4"	19.041099
"728844"	456.5655495	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+H+NH4"	19.041099
"1489226"	158.5355495	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H+NH4"	19.041099
"404626"	619.049218	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+Na"	22.989218
"760152"	917.079218	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+Na"	22.989218
"1611533"	321.019218	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Na"	22.989218
"325944"	310.028247	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+H+Na"	23.996494
"718000"	459.043247	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+H+Na"	23.996494
"1473643"	161.013247	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H+Na"	23.996494
"1066891"	107.677923333333	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2H+Na"	25.00377
"1266743"	331.063486	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+CH3OH+H"	33.033486
"385682"	635.023158	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+K"	38.963158
"742302"	933.053158	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+K"	38.963158
"1549824"	336.993158	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+K"	38.963158
"305905"	318.015217	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+H+K"	39.970434
"703801"	467.030217	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+H+K"	39.970434
"1454340"	169.000217	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H+K"	39.970434
"250483"	638.093826	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+ACN+H"	42.033826
"1222945"	340.063826	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+ACN+H"	42.033826
"1206099"	170.535551	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+ACN+2H"	43.041102
"203633"	641.03116	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+2Na-H"	44.97116
"641447"	939.06116	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+2Na-H"	44.97116
"1143859"	343.00116	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2Na-H"	44.97116
"183140"	321.019218	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+2Na"	45.978436
"623795"	470.034218	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+2Na"	45.978436
"1124019"	172.004218	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2Na"	45.978436
"1409006"	115.005237333333	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H+2Na"	46.985712
"1439299"	345.042746	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H+HCOOH"	47.012746
"227171"	326.05224	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+3H2O+2H"	56.04448
"1515232"	359.09479	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+IsoProp+H"	61.06479
"418199"	329.006188	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+Na+K"	61.952376
"778105"	478.021188	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+Na+K"	61.952376
"1672250"	179.991188	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Na+K"	61.952376
"259863"	660.075768	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+ACN+Na"	64.015768
"1233300"	362.045768	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+ACN+Na"	64.015768
"1722550"	362.069293	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+NH4+HCOOH"	64.039293
"1189728"	122.332551333333	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+3Na"	68.967654
"1656703"	367.024688	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Na+HCOOH"	68.994688
"163565"	672.97904	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+2K-H"	76.91904
"608959"	971.00904	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+2K-H"	76.91904
"1092013"	374.94904	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2K-H"	76.91904
"149558"	336.993158	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"2M+2K"	77.926316
"585109"	486.008158	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"3M+2K"	77.926316
"1070228"	187.978158	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2K"	77.926316
"1105020"	376.963592	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2K+H"	78.933592
"1335854"	377.051207	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+DMSO+H"	79.021207
"1006164"	381.090376	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2ACN+H"	83.060376
"1524531"	382.084008	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+IsoProp+Na+H"	84.054008
"991232"	191.048826	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+2ACN+2H"	84.067652
"1587432"	382.998628	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+K+HCOOH"	84.968628
"1415772"	413.030138	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+H+CF3COOH"	115.000138
"1154809"	211.562101	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+3ACN+2H"	125.094202
"1701080"	430.056685	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+NH4+CF3COOH"	132.026685
"1642198"	435.01208	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+Na+CF3COOH"	136.98208
"1582224"	450.98602	"C18269"	"1-Pyrenylsulfate"	"C16H10O4S"	"298.03"	"M+K+CF3COOH"	152.95602
"809309"	286.0994	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M"	0
"982843"	267.08101	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H2O-H"	-19.01839
"63116"	189.725657333333	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-3H"	-3.021828
"504083"	285.092124	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-3H"	-3.021828
"890636"	94.3591906666667	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-3H"	-3.021828
"3745"	285.092124	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H"	-2.014552
"443668"	428.141824	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H"	-2.014552
"826573"	142.042424	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H"	-2.014552
"85474"	571.191524	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H"	-1.007276
"529408"	857.290924	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H"	-1.007276
"909395"	285.092124	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H"	-1.007276
"60492"	588.218071	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+NH4"	16.019271
"498957"	874.317471	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+NH4"	16.019271
"874572"	302.118671	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+NH4"	16.019271
"44659"	593.173466	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+Na"	20.974666
"478762"	879.272866	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+Na"	20.974666
"854374"	307.074066	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+Na"	20.974666
"1627191"	307.074066	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na-2H"	20.974666
"100445"	303.080463	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H+Cl"	33.962126
"537819"	446.130163	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H+Cl"	33.962126
"937893"	160.030763	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+Cl"	33.962126
"281553"	607.168202	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Cl"	34.969402
"671059"	893.267602	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Cl"	34.969402
"1286740"	321.068802	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl"	34.969402
"17024"	609.147406	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+K"	36.948606
"461205"	895.246806	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+K"	36.948606
"839006"	323.048006	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+K"	36.948606
"1560307"	323.048006	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K-2H"	36.948606
"948192"	331.097594	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+HCOOH"	44.998194
"371876"	617.197001	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+HCOOH-H"	44.998201
"356852"	631.212651	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Hac-H"	59.013851
"1502405"	345.113251	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Hac-H"	59.013851
"962661"	353.079551	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+NaCOOH"	66.980151
"117764"	321.068802	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Cl"	69.938804
"555137"	464.118502	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Cl"	69.938804
"1025393"	178.019102	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Cl"	69.938804
"1253355"	365.018285	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Br"	78.918885
"1308149"	367.074272	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+HCOOH"	80.974872
"1325646"	389.056229	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+NaCOOH"	102.956829
"914887"	399.084986	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+CF3COOH"	112.985586
"1295606"	435.061664	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+CF3COOH"	148.962264
"1368057"	251.086724	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-2H2O"	-35.012676
"1386891"	269.0967	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-H2O"	-17.0027
"285850"	573.206076	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H"	1.007276
"684104"	859.305476	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H"	1.007276
"1359724"	287.106676	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H"	1.007276
"139176"	287.106676	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2H"	2.014552
"578006"	430.156376	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2H"	2.014552
"1047533"	144.056976	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H"	2.014552
"213247"	191.740209333333	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H"	3.021828
"656817"	287.106676	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+3H"	3.021828
"1173848"	96.3737426666667	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3H"	3.021828
"436392"	590.232623	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+NH4"	18.033823
"797386"	876.332023	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+NH4"	18.033823
"1693725"	304.133223	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4"	18.033823
"338722"	295.6199495	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+NH4"	19.041099
"732235"	438.6696495	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+NH4"	19.041099
"1490065"	152.5702495	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+NH4"	19.041099
"403642"	595.188018	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na"	22.989218
"761361"	881.287418	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na"	22.989218
"1609458"	309.088618	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na"	22.989218
"324960"	298.097647	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+Na"	23.996494
"719570"	441.147347	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+Na"	23.996494
"1474848"	155.047947	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+Na"	23.996494
"1068340"	103.701056666667	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H+Na"	25.00377
"1265031"	319.132886	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+CH3OH+H"	33.033486
"383604"	611.161958	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+K"	38.963158
"741318"	897.261358	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+K"	38.963158
"1541305"	325.062558	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K"	38.963158
"304922"	306.084617	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+K"	39.970434
"699534"	449.134317	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+K"	39.970434
"1456639"	163.034917	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+K"	39.970434
"251039"	614.232626	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+H"	42.033826
"1223055"	328.133226	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+H"	42.033826
"1206209"	164.570251	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+2H"	43.041102
"204248"	617.16996	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na-H"	44.97116
"640463"	903.26936	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na-H"	44.97116
"1144698"	331.07056	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na-H"	44.97116
"185073"	309.088618	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na"	45.978436
"623905"	452.138318	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na"	45.978436
"1125222"	166.038918	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na"	45.978436
"1408749"	111.028370666667	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+2Na"	46.985712
"1438678"	333.112146	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+HCOOH"	47.012746
"225094"	314.12164	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H2O+2H"	56.04448
"1513157"	347.16419	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+H"	61.06479
"415028"	317.075588	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na+K"	61.952376
"778215"	460.125288	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na+K"	61.952376
"1674547"	174.025888	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+K"	61.952376
"258880"	636.214568	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+Na"	64.015768
"1229766"	350.115168	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+Na"	64.015768
"1718288"	350.138693	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+HCOOH"	64.039293
"1189109"	118.355684666667	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3Na"	68.967654
"1656815"	355.094088	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+HCOOH"	68.994688
"160397"	649.11784	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K-H"	76.91904
"607612"	935.21724	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K-H"	76.91904
"1094312"	363.01844	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K-H"	76.91904
"143474"	325.062558	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K"	77.926316
"587407"	468.112258	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K"	77.926316
"1068799"	182.012858	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K"	77.926316
"1105132"	365.032992	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K+H"	78.933592
"1338601"	365.120607	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+DMSO+H"	79.021207
"1006519"	369.159776	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+H"	83.060376
"1524678"	370.153408	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+Na+H"	84.054008
"991342"	185.083526	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+2H"	84.067652
"1587258"	371.068028	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+HCOOH"	84.968628
"1415153"	401.099538	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+CF3COOH"	115.000138
"1156012"	205.596801	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3ACN+2H"	125.094202
"1702284"	418.126085	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+CF3COOH"	132.026685
"1642308"	423.08148	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+CF3COOH"	136.98208
"1582334"	439.05542	"C18270"	"Benzoapyrene-cis-45-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+CF3COOH"	152.95602
"809419"	316.0736	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M"	0
"986234"	297.05521	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H2O-H"	-19.01839
"72287"	209.708457333333	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-3H"	-3.021828
"509660"	315.066324	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-3H"	-3.021828
"893305"	104.350590666667	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-3H"	-3.021828
"6043"	315.066324	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H"	-2.014552
"447788"	473.103124	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H"	-2.014552
"828870"	157.029524	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H"	-2.014552
"93804"	631.139924	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-H"	-1.007276
"532673"	947.213524	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-H"	-1.007276
"910114"	315.066324	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H"	-1.007276
"60599"	648.166471	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H+NH4"	16.019271
"497973"	964.240071	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H+NH4"	16.019271
"877600"	332.092871	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H+NH4"	16.019271
"44042"	653.121866	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H+Na"	20.974666
"484340"	969.195466	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H+Na"	20.974666
"853395"	337.048266	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H+Na"	20.974666
"1633827"	337.048266	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na-2H"	20.974666
"104926"	333.054663	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-H+Cl"	33.962126
"537929"	491.091463	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-H+Cl"	33.962126
"939096"	175.017863	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+Cl"	33.962126
"280935"	667.116602	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Cl"	34.969402
"671900"	983.190202	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+Cl"	34.969402
"1286126"	351.043002	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl"	34.969402
"20661"	669.095806	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H+K"	36.948606
"464597"	985.169406	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H+K"	36.948606
"846774"	353.022206	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H+K"	36.948606
"1567709"	353.022206	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K-2H"	36.948606
"953772"	361.071794	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+HCOOH"	44.998194
"369801"	677.145401	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+HCOOH-H"	44.998201
"351497"	691.161051	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Hac-H"	59.013851
"1502515"	375.087451	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Hac-H"	59.013851
"963500"	383.053751	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+NaCOOH"	66.980151
"115322"	351.043002	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2Cl"	69.938804
"555247"	509.079802	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2Cl"	69.938804
"1028419"	193.006202	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2Cl"	69.938804
"1254559"	394.992485	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Br"	78.918885
"1312634"	397.048472	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl+HCOOH"	80.974872
"1324663"	419.030429	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl+NaCOOH"	102.956829
"915728"	429.059186	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+CF3COOH"	112.985586
"1294623"	465.035864	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl+CF3COOH"	148.962264
"1367681"	281.060924	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H-2H2O"	-35.012676
"1389188"	299.0709	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H-H2O"	-17.0027
"285596"	633.154476	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H"	1.007276
"679111"	949.228076	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H"	1.007276
"1357647"	317.080876	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H"	1.007276
"136736"	317.080876	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2H"	2.014552
"579456"	475.117676	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2H"	2.014552
"1050196"	159.044076	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2H"	2.014552
"216272"	211.723009333333	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+3H"	3.021828
"650730"	317.080876	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+3H"	3.021828
"1168854"	106.365142666667	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+3H"	3.021828
"428846"	650.181023	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+NH4"	18.033823
"793123"	966.254623	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+NH4"	18.033823
"1692739"	334.107423	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+NH4"	18.033823
"338832"	325.5941495	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H+NH4"	19.041099
"731252"	483.6309495	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H+NH4"	19.041099
"1490174"	167.5573495	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+NH4"	19.041099
"403753"	655.136418	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Na"	22.989218
"760376"	971.210018	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+Na"	22.989218
"1609567"	339.062818	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na"	22.989218
"320698"	328.071847	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H+Na"	23.996494
"717492"	486.108647	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H+Na"	23.996494
"1472405"	170.035047	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+Na"	23.996494
"1067597"	113.692456666667	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2H+Na"	25.00377
"1268422"	349.107086	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+CH3OH+H"	33.033486
"385903"	671.110358	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+K"	38.963158
"746898"	987.183958	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+K"	38.963158
"1543483"	355.036758	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K"	38.963158
"303940"	336.058817	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H+K"	39.970434
"700740"	494.095617	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H+K"	39.970434
"1460033"	178.022017	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+K"	39.970434
"247541"	674.181026	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+ACN+H"	42.033826
"1221342"	358.107426	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+ACN+H"	42.033826
"1204132"	179.557351	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+ACN+2H"	43.041102
"203203"	677.11836	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2Na-H"	44.97116
"640574"	993.19196	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2Na-H"	44.97116
"1142987"	361.04476	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2Na-H"	44.97116
"181903"	339.062818	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2Na"	45.978436
"625110"	497.099618	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2Na"	45.978436
"1124238"	181.026018	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2Na"	45.978436
"1403391"	121.019770666667	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+2Na"	46.985712
"1435507"	363.086346	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+HCOOH"	47.012746
"223017"	344.09584	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+3H2O+2H"	56.04448
"1515454"	377.13839	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+IsoProp+H"	61.06479
"412951"	347.049788	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Na+K"	61.952376
"779419"	505.086588	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+Na+K"	61.952376
"1677577"	189.012988	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na+K"	61.952376
"258990"	696.162968	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+ACN+Na"	64.015768
"1234980"	380.089368	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+ACN+Na"	64.015768
"1717305"	380.112893	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+NH4+HCOOH"	64.039293
"1190314"	128.347084666667	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+3Na"	68.967654
"1661301"	385.068288	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na+HCOOH"	68.994688
"167798"	709.06624	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2K-H"	76.91904
"609910"	1025.13984	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2K-H"	76.91904
"1097338"	392.99264	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2K-H"	76.91904
"152331"	355.036758	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2K"	77.926316
"584239"	513.073558	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2K"	77.926316
"1072032"	196.999958	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2K"	77.926316
"1111802"	395.007192	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2K+H"	78.933592
"1338345"	395.094807	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+DMSO+H"	79.021207
"1007967"	399.133976	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2ACN+H"	83.060376
"1524757"	400.127608	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+IsoProp+Na+H"	84.054008
"991452"	200.070626	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2ACN+2H"	84.067652
"1587410"	401.042228	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K+HCOOH"	84.968628
"1414288"	431.073738	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+CF3COOH"	115.000138
"1152842"	220.583901	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+3ACN+2H"	125.094202
"1704581"	448.100285	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+NH4+CF3COOH"	132.026685
"1639138"	453.05568	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na+CF3COOH"	136.98208
"1582444"	469.02962	"C18271"	"cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K+CF3COOH"	152.95602
"809529"	316.0736	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M"	0
"983063"	297.05521	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H2O-H"	-19.01839
"63650"	209.708457333333	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-3H"	-3.021828
"505396"	315.066324	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-3H"	-3.021828
"892684"	104.350590666667	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-3H"	-3.021828
"11620"	315.066324	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H"	-2.014552
"448991"	473.103124	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H"	-2.014552
"826793"	157.029524	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H"	-2.014552
"92619"	631.139924	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-H"	-1.007276
"532662"	947.213524	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-H"	-1.007276
"901958"	315.066324	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H"	-1.007276
"61807"	648.166471	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H+NH4"	16.019271
"499176"	964.240071	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H+NH4"	16.019271
"876980"	332.092871	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H+NH4"	16.019271
"44878"	653.121866	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H+Na"	20.974666
"484450"	969.195466	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H+Na"	20.974666
"855693"	337.048266	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H+Na"	20.974666
"1633370"	337.048266	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na-2H"	20.974666
"106860"	333.054663	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-H+Cl"	33.962126
"547876"	491.091463	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-H+Cl"	33.962126
"938113"	175.017863	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+Cl"	33.962126
"279586"	667.116602	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Cl"	34.969402
"672373"	983.190202	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+Cl"	34.969402
"1286604"	351.043002	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl"	34.969402
"29520"	669.095806	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M-2H+K"	36.948606
"467988"	985.169406	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M-2H+K"	36.948606
"847980"	353.022206	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-2H+K"	36.948606
"1567819"	353.022206	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K-2H"	36.948606
"958410"	361.071794	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+HCOOH"	44.998194
"369911"	677.145401	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+HCOOH-H"	44.998201
"360238"	691.161051	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Hac-H"	59.013851
"1504814"	375.087451	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Hac-H"	59.013851
"963245"	383.053751	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+NaCOOH"	66.980151
"117985"	351.043002	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2Cl"	69.938804
"558638"	509.079802	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2Cl"	69.938804
"1030718"	193.006202	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2Cl"	69.938804
"1255763"	394.992485	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Br"	78.918885
"1313838"	397.048472	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl+HCOOH"	80.974872
"1324773"	419.030429	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl+NaCOOH"	102.956829
"914745"	429.059186	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M-H+CF3COOH"	112.985586
"1296921"	465.035864	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Cl+CF3COOH"	148.962264
"1370711"	281.060924	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H-2H2O"	-35.012676
"1387113"	299.0709	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H-H2O"	-17.0027
"287894"	633.154476	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H"	1.007276
"679221"	949.228076	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H"	1.007276
"1359945"	317.080876	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H"	1.007276
"136481"	317.080876	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2H"	2.014552
"578593"	475.117676	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2H"	2.014552
"1051644"	159.044076	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2H"	2.014552
"213102"	211.723009333333	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+3H"	3.021828
"650840"	317.080876	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+3H"	3.021828
"1172245"	106.365142666667	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+3H"	3.021828
"431142"	650.181023	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+NH4"	18.033823
"797243"	966.254623	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+NH4"	18.033823
"1693216"	334.107423	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+NH4"	18.033823
"338943"	325.5941495	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H+NH4"	19.041099
"733914"	483.6309495	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H+NH4"	19.041099
"1491014"	167.5573495	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+NH4"	19.041099
"403500"	655.136418	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Na"	22.989218
"760487"	971.210018	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+Na"	22.989218
"1607492"	339.062818	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na"	22.989218
"323724"	328.071847	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H+Na"	23.996494
"718695"	486.108647	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H+Na"	23.996494
"1472518"	170.035047	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+Na"	23.996494
"1065886"	113.692456666667	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2H+Na"	25.00377
"1268168"	349.107086	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+CH3OH+H"	33.033486
"386013"	671.110358	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+K"	38.963158
"744822"	987.183958	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+K"	38.963158
"1543593"	355.036758	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K"	38.963158
"304050"	336.058817	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+H+K"	39.970434
"703768"	494.095617	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+H+K"	39.970434
"1455036"	178.022017	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+K"	39.970434
"245825"	674.181026	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+ACN+H"	42.033826
"1222791"	358.107426	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+ACN+H"	42.033826
"1207402"	179.557351	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+ACN+2H"	43.041102
"203190"	677.11836	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2Na-H"	44.97116
"641047"	993.19196	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2Na-H"	44.97116
"1142365"	361.04476	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2Na-H"	44.97116
"182378"	339.062818	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2Na"	45.978436
"623032"	497.099618	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2Na"	45.978436
"1126535"	181.026018	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2Na"	45.978436
"1403502"	121.019770666667	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+2Na"	46.985712
"1435617"	363.086346	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+HCOOH"	47.012746
"223128"	344.09584	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+3H2O+2H"	56.04448
"1512288"	377.13839	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+IsoProp+H"	61.06479
"416347"	347.049788	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+Na+K"	61.952376
"783668"	505.086588	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+Na+K"	61.952376
"1678780"	189.012988	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na+K"	61.952376
"264573"	696.162968	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+ACN+Na"	64.015768
"1236186"	380.089368	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+ACN+Na"	64.015768
"1726900"	380.112893	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+NH4+HCOOH"	64.039293
"1187147"	128.347084666667	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+3Na"	68.967654
"1663236"	385.068288	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na+HCOOH"	68.994688
"169367"	709.06624	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2K-H"	76.91904
"612579"	1025.13984	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2K-H"	76.91904
"1098668"	392.99264	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2K-H"	76.91904
"154628"	355.036758	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"2M+2K"	77.926316
"594190"	513.073558	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"3M+2K"	77.926316
"1076519"	196.999958	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2K"	77.926316
"1108633"	395.007192	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2K+H"	78.933592
"1339553"	395.094807	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+DMSO+H"	79.021207
"1008078"	399.133976	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2ACN+H"	83.060376
"1525477"	400.127608	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+IsoProp+Na+H"	84.054008
"994844"	200.070626	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+2ACN+2H"	84.067652
"1587242"	401.042228	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K+HCOOH"	84.968628
"1418290"	431.073738	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+H+CF3COOH"	115.000138
"1160607"	220.583901	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+3ACN+2H"	125.094202
"1704691"	448.100285	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+NH4+CF3COOH"	132.026685
"1635968"	453.05568	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+Na+CF3COOH"	136.98208
"1582554"	469.02962	"C18272"	"cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate"	"C20H12O4"	"316.0736"	"M+K+CF3COOH"	152.95602
"809639"	248.0837	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M"	0
"983173"	229.06531	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-H2O-H"	-19.01839
"65947"	164.381857333333	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M-3H"	-3.021828
"506599"	247.076424	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M-3H"	-3.021828
"894978"	81.6872906666667	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-3H"	-3.021828
"6263"	247.076424	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H"	-2.014552
"449101"	371.118274	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H"	-2.014552
"826903"	123.034574	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-2H"	-2.014552
"93213"	495.160124	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M-H"	-1.007276
"533014"	743.243824	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M-H"	-1.007276
"905348"	247.076424	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-H"	-1.007276
"59725"	512.186671	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H+NH4"	16.019271
"501599"	760.270371	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H+NH4"	16.019271
"877818"	264.102971	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-2H+NH4"	16.019271
"42800"	517.142066	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H+Na"	20.974666
"479090"	765.225766	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H+Na"	20.974666
"859084"	269.058366	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-2H+Na"	20.974666
"1631901"	269.058366	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Na-2H"	20.974666
"108671"	265.064763	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M-H+Cl"	33.962126
"547622"	389.106613	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M-H+Cl"	33.962126
"939316"	141.022913	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-H+Cl"	33.962126
"279699"	531.136802	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+Cl"	34.969402
"673212"	779.220502	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+Cl"	34.969402
"1285620"	283.053102	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl"	34.969402
"24165"	533.116006	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H+K"	36.948606
"468829"	781.199706	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H+K"	36.948606
"846996"	285.032306	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-2H+K"	36.948606
"1569752"	285.032306	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+K-2H"	36.948606
"957759"	293.081894	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-H+HCOOH"	44.998194
"372208"	541.165601	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+HCOOH-H"	44.998201
"359013"	555.181251	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+Hac-H"	59.013851
"1503831"	307.097551	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Hac-H"	59.013851
"960804"	315.063851	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-H+NaCOOH"	66.980151
"111898"	283.053102	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+2Cl"	69.938804
"551458"	407.094952	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+2Cl"	69.938804
"1022566"	159.011252	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2Cl"	69.938804
"1248219"	327.002585	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Br"	78.918885
"1308481"	329.058572	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl+HCOOH"	80.974872
"1321603"	351.040529	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl+NaCOOH"	102.956829
"911939"	361.069286	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M-H+CF3COOH"	112.985586
"1292659"	397.045964	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl+CF3COOH"	148.962264
"1370820"	213.071024	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H-2H2O"	-35.012676
"1386493"	231.081	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H-H2O"	-17.0027
"286181"	497.174676	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+H"	1.007276
"684800"	745.258376	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+H"	1.007276
"1362245"	249.090976	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H"	1.007276
"135863"	249.090976	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+2H"	2.014552
"577974"	373.132826	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+2H"	2.014552
"1046408"	125.049126	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2H"	2.014552
"216494"	166.396409333333	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+3H"	3.021828
"656054"	249.090976	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+3H"	3.021828
"1171262"	83.7018426666667	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+3H"	3.021828
"431254"	514.201223	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+NH4"	18.033823
"798813"	762.284923	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+NH4"	18.033823
"1694420"	266.117523	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+NH4"	18.033823
"339054"	257.6042495	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+H+NH4"	19.041099
"733296"	381.6460995	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+H+NH4"	19.041099
"1486387"	133.5623995	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H+NH4"	19.041099
"400696"	519.156618	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+Na"	22.989218
"760598"	767.240318	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+Na"	22.989218
"1611976"	271.072918	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Na"	22.989218
"326754"	260.081947	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+H+Na"	23.996494
"717714"	384.123797	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+H+Na"	23.996494
"1473356"	136.040097	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H+Na"	23.996494
"1066970"	91.0291566666667	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2H+Na"	25.00377
"1271079"	281.117186	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+CH3OH+H"	33.033486
"386123"	535.130558	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+K"	38.963158
"747119"	783.214258	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+K"	38.963158
"1544797"	287.046858	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+K"	38.963158
"304160"	268.068917	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+H+K"	39.970434
"706310"	392.110767	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+H+K"	39.970434
"1455510"	144.027067	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H+K"	39.970434
"248851"	538.201226	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+ACN+H"	42.033826
"1224359"	290.117526	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+ACN+H"	42.033826
"1208119"	145.562401	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+ACN+2H"	43.041102
"202572"	541.13856	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+2Na-H"	44.97116
"642251"	789.22226	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+2Na-H"	44.97116
"1142478"	293.05486	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2Na-H"	44.97116
"179208"	271.072918	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+2Na"	45.978436
"617674"	395.114768	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+2Na"	45.978436
"1123366"	147.031068	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2Na"	45.978436
"1403611"	98.3564706666667	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H+2Na"	46.985712
"1435727"	295.096446	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H+HCOOH"	47.012746
"223240"	276.10594	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+3H2O+2H"	56.04448
"1510210"	309.14849	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+IsoProp+H"	61.06479
"419374"	279.059888	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+Na+K"	61.952376
"782926"	403.101738	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+Na+K"	61.952376
"1677797"	155.018038	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Na+K"	61.952376
"264682"	560.183168	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+ACN+Na"	64.015768
"1238483"	312.099468	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+ACN+Na"	64.015768
"1726279"	312.122993	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+NH4+HCOOH"	64.039293
"1189444"	105.683784666667	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+3Na"	68.967654
"1663710"	317.078388	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Na+HCOOH"	68.994688
"171664"	573.08644	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+2K-H"	76.91904
"611593"	821.17014	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+2K-H"	76.91904
"1098658"	325.00274	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2K-H"	76.91904
"156324"	287.046858	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"2M+2K"	77.926316
"591020"	411.088708	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"3M+2K"	77.926316
"1076628"	163.005008	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2K"	77.926316
"1107650"	327.017292	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2K+H"	78.933592
"1344037"	327.104907	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+DMSO+H"	79.021207
"1009647"	331.144076	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2ACN+H"	83.060376
"1528503"	332.137708	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+IsoProp+Na+H"	84.054008
"994955"	166.075676	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+2ACN+2H"	84.067652
"1588000"	333.052328	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+K+HCOOH"	84.968628
"1417307"	363.083838	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+H+CF3COOH"	115.000138
"1156343"	186.588951	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+3ACN+2H"	125.094202
"1706989"	380.110385	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+NH4+CF3COOH"	132.026685
"1635349"	385.06578	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+Na+CF3COOH"	136.98208
"1582664"	401.03972	"C18273"	"78-Dihydropyrene-8-carboxylate;12-Dihydropyrene-1-carboxylate"	"C17H12O2"	"248.0837"	"M+K+CF3COOH"	152.95602
"813031"	248.0837	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M"	0
"988387"	229.06531	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-H2O-H"	-19.01839
"75898"	164.381857333333	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M-3H"	-3.021828
"516552"	247.076424	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M-3H"	-3.021828
"888885"	81.6872906666667	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-3H"	-3.021828
"6373"	247.076424	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H"	-2.014552
"447025"	371.118274	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H"	-2.014552
"830172"	123.034574	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-2H"	-2.014552
"92107"	495.160124	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M-H"	-1.007276
"532519"	743.243824	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M-H"	-1.007276
"905458"	247.076424	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-H"	-1.007276
"60808"	512.186671	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H+NH4"	16.019271
"501586"	760.270371	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H+NH4"	16.019271
"879023"	264.102971	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-2H+NH4"	16.019271
"44005"	517.142066	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H+Na"	20.974666
"479200"	765.225766	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H+Na"	20.974666
"859194"	269.058366	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-2H+Na"	20.974666
"1632375"	269.058366	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Na-2H"	20.974666
"109026"	265.064763	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M-H+Cl"	33.962126
"548953"	389.106613	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M-H+Cl"	33.962126
"939427"	141.022913	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-H+Cl"	33.962126
"280175"	531.136802	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+Cl"	34.969402
"672595"	779.220502	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+Cl"	34.969402
"1286459"	283.053102	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl"	34.969402
"24275"	533.116006	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M-2H+K"	36.948606
"470035"	781.199706	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M-2H+K"	36.948606
"846743"	285.032306	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-2H+K"	36.948606
"1569133"	285.032306	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+K-2H"	36.948606
"957020"	293.081894	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-H+HCOOH"	44.998194
"370131"	541.165601	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+HCOOH-H"	44.998201
"359481"	555.181251	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+Hac-H"	59.013851
"1507221"	307.097551	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Hac-H"	59.013851
"961278"	315.063851	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-H+NaCOOH"	66.980151
"112735"	283.053102	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+2Cl"	69.938804
"555942"	407.094952	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+2Cl"	69.938804
"1024377"	159.011252	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2Cl"	69.938804
"1246870"	327.002585	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Br"	78.918885
"1309319"	329.058572	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl+HCOOH"	80.974872
"1329368"	351.040529	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl+NaCOOH"	102.956829
"920435"	361.069286	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M-H+CF3COOH"	112.985586
"1300423"	397.045964	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Cl+CF3COOH"	148.962264
"1374211"	213.071024	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H-2H2O"	-35.012676
"1389521"	231.081	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H-H2O"	-17.0027
"288114"	497.174676	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+H"	1.007276
"686004"	745.258376	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+H"	1.007276
"1364905"	249.090976	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H"	1.007276
"137066"	249.090976	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+2H"	2.014552
"579543"	373.132826	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+2H"	2.014552
"1051621"	125.049126	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2H"	2.014552
"216605"	166.396409333333	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+3H"	3.021828
"655071"	249.090976	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+3H"	3.021828
"1169186"	83.7018426666667	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+3H"	3.021828
"430271"	514.201223	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+NH4"	18.033823
"800746"	762.284923	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+NH4"	18.033823
"1694531"	266.117523	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+NH4"	18.033823
"339164"	257.6042495	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+H+NH4"	19.041099
"736323"	381.6460995	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+H+NH4"	19.041099
"1489778"	133.5623995	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H+NH4"	19.041099
"403721"	519.156618	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+Na"	22.989218
"761800"	767.240318	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+Na"	22.989218
"1612085"	271.072918	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Na"	22.989218
"324311"	260.081947	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+H+Na"	23.996494
"717822"	384.123797	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+H+Na"	23.996494
"1473466"	136.040097	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H+Na"	23.996494
"1063794"	91.0291566666667	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2H+Na"	25.00377
"1265107"	281.117186	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+CH3OH+H"	33.033486
"381857"	535.130558	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+K"	38.963158
"742850"	783.214258	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+K"	38.963158
"1544907"	287.046858	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+K"	38.963158
"304270"	268.068917	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+H+K"	39.970434
"703257"	392.110767	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+H+K"	39.970434
"1453797"	144.027067	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H+K"	39.970434
"250053"	538.201226	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+ACN+H"	42.033826
"1219486"	290.117526	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+ACN+H"	42.033826
"1206648"	145.562401	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+ACN+2H"	43.041102
"200614"	541.13856	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+2Na-H"	44.97116
"640175"	789.22226	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+2Na-H"	44.97116
"1142588"	293.05486	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2Na-H"	44.97116
"178225"	271.072918	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+2Na"	45.978436
"617784"	395.114768	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+2Na"	45.978436
"1121289"	147.031068	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2Na"	45.978436
"1401533"	98.3564706666667	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H+2Na"	46.985712
"1433650"	295.096446	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H+HCOOH"	47.012746
"223350"	276.10594	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+3H2O+2H"	56.04448
"1510320"	309.14849	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+IsoProp+H"	61.06479
"416568"	279.059888	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+Na+K"	61.952376
"782669"	403.101738	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+Na+K"	61.952376
"1679610"	155.018038	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Na+K"	61.952376
"263331"	560.183168	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+ACN+Na"	64.015768
"1238593"	312.099468	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+ACN+Na"	64.015768
"1727967"	312.122993	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+NH4+HCOOH"	64.039293
"1192834"	105.683784666667	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+3Na"	68.967654
"1664672"	317.078388	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Na+HCOOH"	68.994688
"168494"	573.08644	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+2K-H"	76.91904
"611701"	821.17014	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+2K-H"	76.91904
"1098765"	325.00274	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2K-H"	76.91904
"156677"	287.046858	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"2M+2K"	77.926316
"592223"	411.088708	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"3M+2K"	77.926316
"1080019"	163.005008	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2K"	77.926316
"1105574"	327.017292	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2K+H"	78.933592
"1344147"	327.104907	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+DMSO+H"	79.021207
"1009029"	331.144076	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2ACN+H"	83.060376
"1530801"	332.137708	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+IsoProp+Na+H"	84.054008
"993971"	166.075676	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+2ACN+2H"	84.067652
"1588475"	333.052328	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+K+HCOOH"	84.968628
"1419605"	363.083838	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+H+CF3COOH"	115.000138
"1159734"	186.588951	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+3ACN+2H"	125.094202
"1707099"	380.110385	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+NH4+CF3COOH"	132.026685
"1635459"	385.06578	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+Na+CF3COOH"	136.98208
"1582774"	401.03972	"C18274"	"78-Dihydropyrene-7-carboxylate;12-Dihydropyrene-2-carboxylate"	"C17H12O2"	"248.0837"	"M+K+CF3COOH"	152.95602
"809859"	286.0994	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M"	0
"988497"	267.08101	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H2O-H"	-19.01839
"76008"	189.725657333333	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-3H"	-3.021828
"516662"	285.092124	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-3H"	-3.021828
"888995"	94.3591906666667	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-3H"	-3.021828
"9763"	285.092124	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H"	-2.014552
"447135"	428.141824	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H"	-2.014552
"827123"	142.042424	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H"	-2.014552
"89301"	571.191524	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H"	-1.007276
"532750"	857.290924	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H"	-1.007276
"905568"	285.092124	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H"	-1.007276
"61039"	588.218071	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+NH4"	16.019271
"501573"	874.317471	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+NH4"	16.019271
"879254"	302.118671	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+NH4"	16.019271
"44115"	593.173466	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+Na"	20.974666
"479310"	879.272866	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+Na"	20.974666
"861491"	307.074066	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+Na"	20.974666
"1633095"	307.074066	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na-2H"	20.974666
"109380"	303.080463	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H+Cl"	33.962126
"546020"	446.130163	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H+Cl"	33.962126
"939537"	160.030763	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+Cl"	33.962126
"280771"	607.168202	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Cl"	34.969402
"673436"	893.267602	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Cl"	34.969402
"1286931"	321.068802	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl"	34.969402
"24385"	609.147406	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+K"	36.948606
"469051"	895.246806	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+K"	36.948606
"847581"	323.048006	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+K"	36.948606
"1569243"	323.048006	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K-2H"	36.948606
"958098"	331.097594	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+HCOOH"	44.998194
"376317"	617.197001	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+HCOOH-H"	44.998201
"357403"	631.212651	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Hac-H"	59.013851
"1507335"	345.113251	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Hac-H"	59.013851
"961024"	353.079551	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+NaCOOH"	66.980151
"115034"	321.068802	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Cl"	69.938804
"553137"	464.118502	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Cl"	69.938804
"1025215"	178.019102	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Cl"	69.938804
"1248440"	365.018285	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Br"	78.918885
"1311982"	367.074272	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+HCOOH"	80.974872
"1328385"	389.056229	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+NaCOOH"	102.956829
"919452"	399.084986	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+CF3COOH"	112.985586
"1296161"	435.061664	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+CF3COOH"	148.962264
"1374322"	251.086724	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-2H2O"	-35.012676
"1385621"	269.0967	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-H2O"	-17.0027
"291504"	573.206076	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H"	1.007276
"688301"	859.305476	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H"	1.007276
"1365381"	287.106676	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H"	1.007276
"138635"	287.106676	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2H"	2.014552
"580261"	430.156376	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2H"	2.014552
"1051733"	144.056976	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H"	2.014552
"216351"	191.740209333333	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H"	3.021828
"655545"	287.106676	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+3H"	3.021828
"1167108"	96.3737426666667	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3H"	3.021828
"428194"	590.232623	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+NH4"	18.033823
"797575"	876.332023	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+NH4"	18.033823
"1696465"	304.133223	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4"	18.033823
"342555"	295.6199495	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+NH4"	19.041099
"735339"	438.6696495	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+NH4"	19.041099
"1489888"	152.5702495	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+NH4"	19.041099
"403101"	595.188018	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na"	22.989218
"764096"	881.287418	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na"	22.989218
"1612195"	309.088618	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na"	22.989218
"327700"	298.097647	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+Na"	23.996494
"717932"	441.147347	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+Na"	23.996494
"1476005"	155.047947	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+Na"	23.996494
"1063904"	103.701056666667	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H+Na"	25.00377
"1265581"	319.132886	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+CH3OH+H"	33.033486
"383060"	611.161958	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+K"	38.963158
"745148"	897.261358	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+K"	38.963158
"1545017"	325.062558	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K"	38.963158
"306566"	306.084617	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+K"	39.970434
"703367"	449.134317	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+K"	39.970434
"1459374"	163.034917	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+K"	39.970434
"251223"	614.232626	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+H"	42.033826
"1219596"	328.133226	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+H"	42.033826
"1208945"	164.570251	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+2H"	43.041102
"203639"	617.16996	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na-H"	44.97116
"639192"	903.26936	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na-H"	44.97116
"1140511"	331.07056	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na-H"	44.97116
"180520"	309.088618	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na"	45.978436
"616800"	452.138318	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na"	45.978436
"1120307"	166.038918	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na"	45.978436
"1402736"	111.028370666667	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+2Na"	46.985712
"1435946"	333.112146	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+HCOOH"	47.012746
"226739"	314.12164	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H2O+2H"	56.04448
"1513709"	347.16419	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+H"	61.06479
"414491"	317.075588	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na+K"	61.952376
"783144"	460.125288	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na+K"	61.952376
"1678019"	174.025888	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+K"	61.952376
"263806"	636.214568	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+Na"	64.015768
"1238341"	350.115168	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+Na"	64.015768
"1725769"	350.138693	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+HCOOH"	64.039293
"1192217"	118.355684666667	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3Na"	68.967654
"1662838"	355.094088	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+HCOOH"	68.994688
"169698"	649.11784	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K-H"	76.91904
"612178"	935.21724	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K-H"	76.91904
"1098513"	363.01844	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K-H"	76.91904
"156059"	325.062558	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K"	77.926316
"594522"	468.112258	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K"	77.926316
"1082195"	182.012858	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K"	77.926316
"1107872"	365.032992	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K+H"	78.933592
"1340977"	365.120607	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+DMSO+H"	79.021207
"1009505"	369.159776	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+H"	83.060376
"1526899"	370.153408	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+Na+H"	84.054008
"992986"	185.083526	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+2H"	84.067652
"1587492"	371.068028	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+HCOOH"	84.968628
"1417528"	401.099538	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+CF3COOH"	115.000138
"1156564"	205.596801	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3ACN+2H"	125.094202
"1703929"	418.126085	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+CF3COOH"	132.026685
"1635569"	423.08148	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+CF3COOH"	136.98208
"1579604"	439.05542	"C18275"	"Benzoapyrene-cis-78-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+CF3COOH"	152.95602
"809969"	286.0994	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M"	0
"986784"	267.08101	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H2O-H"	-19.01839
"76118"	189.725657333333	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-3H"	-3.021828
"516044"	285.092124	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-3H"	-3.021828
"889105"	94.3591906666667	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-3H"	-3.021828
"8779"	285.092124	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H"	-2.014552
"449432"	428.141824	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H"	-2.014552
"823953"	142.042424	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H"	-2.014552
"89411"	571.191524	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H"	-1.007276
"527878"	857.290924	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H"	-1.007276
"904585"	285.092124	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H"	-1.007276
"57868"	588.218071	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+NH4"	16.019271
"500587"	874.317471	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+NH4"	16.019271
"879242"	302.118671	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+NH4"	16.019271
"43132"	593.173466	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+Na"	20.974666
"483428"	879.272866	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+Na"	20.974666
"861601"	307.074066	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+Na"	20.974666
"1632479"	307.074066	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na-2H"	20.974666
"109493"	303.080463	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H+Cl"	33.962126
"547223"	446.130163	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H+Cl"	33.962126
"942199"	160.030763	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+Cl"	33.962126
"281364"	607.168202	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Cl"	34.969402
"673181"	893.267602	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Cl"	34.969402
"1285587"	321.068802	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl"	34.969402
"27775"	609.147406	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+K"	36.948606
"470256"	895.246806	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+K"	36.948606
"847896"	323.048006	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+K"	36.948606
"1568989"	323.048006	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K-2H"	36.948606
"958050"	331.097594	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+HCOOH"	44.998194
"375819"	617.197001	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+HCOOH-H"	44.998201
"359336"	631.212651	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Hac-H"	59.013851
"1507446"	345.113251	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Hac-H"	59.013851
"963685"	353.079551	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+NaCOOH"	66.980151
"113685"	321.068802	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Cl"	69.938804
"553975"	464.118502	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Cl"	69.938804
"1027511"	178.019102	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Cl"	69.938804
"1250737"	365.018285	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Br"	78.918885
"1315372"	367.074272	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+HCOOH"	80.974872
"1332504"	389.056229	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+NaCOOH"	102.956829
"919563"	399.084986	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+CF3COOH"	112.985586
"1297364"	435.061664	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+CF3COOH"	148.962264
"1374432"	251.086724	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-2H2O"	-35.012676
"1385731"	269.0967	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-H2O"	-17.0027
"291614"	573.206076	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H"	1.007276
"688047"	859.305476	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H"	1.007276
"1364033"	287.106676	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H"	1.007276
"139109"	287.106676	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2H"	2.014552
"580130"	430.156376	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2H"	2.014552
"1051843"	144.056976	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H"	2.014552
"217554"	191.740209333333	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H"	3.021828
"655655"	287.106676	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+3H"	3.021828
"1167218"	96.3737426666667	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3H"	3.021828
"429397"	590.232623	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+NH4"	18.033823
"797685"	876.332023	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+NH4"	18.033823
"1695481"	304.133223	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4"	18.033823
"343759"	295.6199495	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+NH4"	19.041099
"733991"	438.6696495	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+NH4"	19.041099
"1487812"	152.5702495	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+NH4"	19.041099
"403211"	595.188018	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na"	22.989218
"765299"	881.287418	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na"	22.989218
"1611211"	309.088618	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na"	22.989218
"324530"	298.097647	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+Na"	23.996494
"719136"	441.147347	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+Na"	23.996494
"1475143"	155.047947	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+Na"	23.996494
"1065107"	103.701056666667	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H+Na"	25.00377
"1265691"	319.132886	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+CH3OH+H"	33.033486
"383170"	611.161958	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+K"	38.963158
"745258"	897.261358	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+K"	38.963158
"1544033"	325.062558	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K"	38.963158
"306676"	306.084617	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+K"	39.970434
"705299"	449.134317	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+K"	39.970434
"1459484"	163.034917	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+K"	39.970434
"250926"	614.232626	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+H"	42.033826
"1215331"	328.133226	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+H"	42.033826
"1205774"	164.570251	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+2H"	43.041102
"200832"	617.16996	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na-H"	44.97116
"639302"	903.26936	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na-H"	44.97116
"1140621"	331.07056	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na-H"	44.97116
"178445"	309.088618	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na"	45.978436
"618004"	452.138318	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na"	45.978436
"1120417"	166.038918	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na"	45.978436
"1401753"	111.028370666667	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+2Na"	46.985712
"1434963"	333.112146	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+HCOOH"	47.012746
"226849"	314.12164	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H2O+2H"	56.04448
"1514912"	347.16419	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+H"	61.06479
"418973"	317.075588	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na+K"	61.952376
"784590"	460.125288	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na+K"	61.952376
"1679951"	174.025888	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+K"	61.952376
"265738"	636.214568	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+Na"	64.015768
"1240273"	350.115168	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+Na"	64.015768
"1727336"	350.138693	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+HCOOH"	64.039293
"1189775"	118.355684666667	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3Na"	68.967654
"1662948"	355.094088	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+HCOOH"	68.994688
"171753"	649.11784	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K-H"	76.91904
"611315"	935.21724	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K-H"	76.91904
"1097165"	363.01844	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K-H"	76.91904
"153978"	325.062558	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K"	77.926316
"593539"	468.112258	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K"	77.926316
"1082426"	182.012858	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K"	77.926316
"1107982"	365.032992	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K+H"	78.933592
"1341087"	365.120607	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+DMSO+H"	79.021207
"1010343"	369.159776	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+H"	83.060376
"1527008"	370.153408	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+Na+H"	84.054008
"995282"	185.083526	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+2H"	84.067652
"1588329"	371.068028	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+HCOOH"	84.968628
"1419825"	401.099538	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+CF3COOH"	115.000138
"1156674"	205.596801	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3ACN+2H"	125.094202
"1704039"	418.126085	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+CF3COOH"	132.026685
"1635190"	423.08148	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+CF3COOH"	136.98208
"1579714"	439.05542	"C18276"	"Benzoapyrene-cis-910-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+CF3COOH"	152.95602
"810079"	316.0736	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M"	0
"985801"	297.05521	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-H2O-H"	-19.01839
"75135"	209.708457333333	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M-3H"	-3.021828
"513603"	315.066324	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M-3H"	-3.021828
"888123"	104.350590666667	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-3H"	-3.021828
"5609"	315.066324	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M-2H"	-2.014552
"449542"	473.103124	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M-2H"	-2.014552
"820782"	157.029524	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-2H"	-2.014552
"89521"	631.139924	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M-H"	-1.007276
"526895"	947.213524	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M-H"	-1.007276
"909192"	315.066324	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-H"	-1.007276
"60044"	648.166471	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M-2H+NH4"	16.019271
"497537"	964.240071	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M-2H+NH4"	16.019271
"873153"	332.092871	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-2H+NH4"	16.019271
"42149"	653.121866	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M-2H+Na"	20.974666
"481716"	969.195466	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M-2H+Na"	20.974666
"857335"	337.048266	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-2H+Na"	20.974666
"1630149"	337.048266	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Na-2H"	20.974666
"105585"	333.054663	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M-H+Cl"	33.962126
"548425"	491.091463	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M-H+Cl"	33.962126
"941216"	175.017863	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-H+Cl"	33.962126
"280505"	667.116602	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+Cl"	34.969402
"674016"	983.190202	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+Cl"	34.969402
"1286908"	351.043002	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Cl"	34.969402
"24605"	669.095806	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M-2H+K"	36.948606
"470242"	985.169406	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M-2H+K"	36.948606
"847436"	353.022206	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-2H+K"	36.948606
"1569463"	353.022206	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+K-2H"	36.948606
"953336"	361.071794	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-H+HCOOH"	44.998194
"376051"	677.145401	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+HCOOH-H"	44.998201
"359446"	691.161051	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+Hac-H"	59.013851
"1507069"	375.087451	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Hac-H"	59.013851
"963795"	383.053751	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-H+NaCOOH"	66.980151
"118533"	351.043002	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+2Cl"	69.938804
"556636"	509.079802	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+2Cl"	69.938804
"1027621"	193.006202	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2Cl"	69.938804
"1246107"	394.992485	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Br"	78.918885
"1313296"	397.048472	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Cl+HCOOH"	80.974872
"1327511"	419.030429	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Cl+NaCOOH"	102.956829
"920766"	429.059186	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M-H+CF3COOH"	112.985586
"1299660"	465.035864	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Cl+CF3COOH"	148.962264
"1379645"	281.060924	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H-2H2O"	-35.012676
"1395682"	299.0709	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H-H2O"	-17.0027
"294640"	633.154476	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+H"	1.007276
"688156"	949.228076	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+H"	1.007276
"1363779"	317.080876	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H"	1.007276
"140314"	317.080876	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+2H"	2.014552
"581091"	475.117676	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+2H"	2.014552
"1050858"	159.044076	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2H"	2.014552
"215113"	211.723009333333	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+3H"	3.021828
"654672"	317.080876	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+3H"	3.021828
"1166234"	106.365142666667	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+3H"	3.021828
"429506"	650.181023	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+NH4"	18.033823
"797431"	966.254623	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+NH4"	18.033823
"1696684"	334.107423	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+NH4"	18.033823
"343869"	325.5941495	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+H+NH4"	19.041099
"733008"	483.6309495	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+H+NH4"	19.041099
"1489015"	167.5573495	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H+NH4"	19.041099
"402227"	655.136418	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+Na"	22.989218
"762129"	971.210018	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+Na"	22.989218
"1610228"	339.062818	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Na"	22.989218
"323546"	328.071847	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+H+Na"	23.996494
"717060"	486.108647	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+H+Na"	23.996494
"1473796"	170.035047	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H+Na"	23.996494
"1063031"	113.692456666667	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2H+Na"	25.00377
"1265801"	349.107086	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+CH3OH+H"	33.033486
"383280"	671.110358	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+K"	38.963158
"747555"	987.183958	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+K"	38.963158
"1541956"	355.036758	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+K"	38.963158
"303506"	336.058817	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+H+K"	39.970434
"704681"	494.095617	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+H+K"	39.970434
"1457407"	178.022017	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H+K"	39.970434
"249291"	674.181026	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+ACN+H"	42.033826
"1215441"	358.107426	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+ACN+H"	42.033826
"1202604"	179.557351	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+ACN+2H"	43.041102
"197662"	677.11836	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+2Na-H"	44.97116
"639412"	993.19196	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+2Na-H"	44.97116
"1138545"	361.04476	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2Na-H"	44.97116
"178555"	339.062818	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+2Na"	45.978436
"615928"	497.099618	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+2Na"	45.978436
"1120526"	181.026018	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2Na"	45.978436
"1401862"	121.019770666667	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H+2Na"	46.985712
"1433980"	363.086346	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H+HCOOH"	47.012746
"225864"	344.09584	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+3H2O+2H"	56.04448
"1516115"	377.13839	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+IsoProp+H"	61.06479
"419083"	347.049788	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+Na+K"	61.952376
"784456"	505.086588	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+Na+K"	61.952376
"1679694"	189.012988	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Na+K"	61.952376
"266213"	696.162968	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+ACN+Na"	64.015768
"1238560"	380.089368	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+ACN+Na"	64.015768
"1721249"	380.112893	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+NH4+HCOOH"	64.039293
"1189885"	128.347084666667	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+3Na"	68.967654
"1660871"	385.068288	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Na+HCOOH"	68.994688
"164451"	709.06624	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+2K-H"	76.91904
"609478"	1025.13984	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+2K-H"	76.91904
"1098972"	392.99264	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2K-H"	76.91904
"147527"	355.036758	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"2M+2K"	77.926316
"591461"	513.073558	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"3M+2K"	77.926316
"1081442"	196.999958	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2K"	77.926316
"1108092"	395.007192	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2K+H"	78.933592
"1341197"	395.094807	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+DMSO+H"	79.021207
"1010089"	399.133976	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2ACN+H"	83.060376
"1527118"	400.127608	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+IsoProp+Na+H"	84.054008
"993206"	200.070626	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+2ACN+2H"	84.067652
"1588318"	401.042228	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+K+HCOOH"	84.968628
"1419935"	431.073738	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+H+CF3COOH"	115.000138
"1157877"	220.583901	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+3ACN+2H"	125.094202
"1705242"	448.100285	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+NH4+CF3COOH"	132.026685
"1634167"	453.05568	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+Na+CF3COOH"	136.98208
"1579824"	469.02962	"C18277"	"45-Chrysenedicarboxylate"	"C20H12O4"	"316.0736"	"M+K+CF3COOH"	152.95602
"810189"	284.0837	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M"	0
"988467"	265.06531	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-H2O-H"	-19.01839
"77072"	188.381857333333	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M-3H"	-3.021828
"515537"	283.076424	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M-3H"	-3.021828
"888233"	93.6872906666667	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-3H"	-3.021828
"8999"	283.076424	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M-2H"	-2.014552
"453662"	425.118274	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M-2H"	-2.014552
"825266"	141.034574	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-2H"	-2.014552
"92916"	567.160124	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M-H"	-1.007276
"531744"	851.243824	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M-H"	-1.007276
"908452"	283.076424	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-H"	-1.007276
"62828"	584.186671	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M-2H+NH4"	16.019271
"500442"	868.270371	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M-2H+NH4"	16.019271
"875086"	300.102971	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-2H+NH4"	16.019271
"43353"	589.142066	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M-2H+Na"	20.974666
"480733"	873.225766	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M-2H+Na"	20.974666
"862916"	305.058366	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-2H+Na"	20.974666
"1632813"	305.058366	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Na-2H"	20.974666
"106788"	301.064763	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M-H+Cl"	33.962126
"545255"	443.106613	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M-H+Cl"	33.962126
"940595"	159.022913	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-H+Cl"	33.962126
"280614"	603.136802	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+Cl"	34.969402
"673398"	887.220502	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+Cl"	34.969402
"1285802"	319.053102	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Cl"	34.969402
"22893"	605.116006	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M-2H+K"	36.948606
"465370"	889.199706	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M-2H+K"	36.948606
"844263"	321.032306	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-2H+K"	36.948606
"1568480"	321.032306	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+K-2H"	36.948606
"954175"	329.081894	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-H+HCOOH"	44.998194
"374216"	613.165601	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+HCOOH-H"	44.998201
"359556"	627.181251	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+Hac-H"	59.013851
"1503287"	343.097551	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Hac-H"	59.013851
"971922"	351.063851	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-H+NaCOOH"	66.980151
"121922"	319.053102	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+2Cl"	69.938804
"563307"	461.094952	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+2Cl"	69.938804
"1030285"	177.011252	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2Cl"	69.938804
"1247676"	363.002585	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Br"	78.918885
"1310126"	365.058572	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Cl+HCOOH"	80.974872
"1330903"	387.040529	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Cl+NaCOOH"	102.956829
"920876"	397.069286	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M-H+CF3COOH"	112.985586
"1298676"	433.045964	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Cl+CF3COOH"	148.962264
"1378661"	249.071024	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H-2H2O"	-35.012676
"1393969"	267.081	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H-H2O"	-17.0027
"291833"	569.174676	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+H"	1.007276
"688264"	853.258376	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+H"	1.007276
"1364982"	285.090976	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H"	1.007276
"140666"	285.090976	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+2H"	2.014552
"580348"	427.132826	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+2H"	2.014552
"1051333"	143.049126	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2H"	2.014552
"217045"	190.396409333333	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+3H"	3.021828
"655511"	285.090976	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+3H"	3.021828
"1169625"	95.7018426666667	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+3H"	3.021828
"430711"	586.201223	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+NH4"	18.033823
"798634"	870.284923	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+NH4"	18.033823
"1695336"	302.117523	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+NH4"	18.033823
"342886"	293.6042495	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+H+NH4"	19.041099
"733118"	435.6460995	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+H+NH4"	19.041099
"1488033"	151.5623995	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H+NH4"	19.041099
"401243"	591.156618	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+Na"	22.989218
"762239"	875.240318	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+Na"	22.989218
"1611432"	307.072918	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Na"	22.989218
"324749"	296.081947	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+H+Na"	23.996494
"717172"	438.123797	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+H+Na"	23.996494
"1473177"	154.040097	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H+Na"	23.996494
"1064234"	103.029156666667	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2H+Na"	25.00377
"1267005"	317.117186	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+CH3OH+H"	33.033486
"386671"	607.130558	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+K"	38.963158
"750218"	891.214258	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+K"	38.963158
"1543523"	323.046858	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+K"	38.963158
"302887"	304.068917	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+H+K"	39.970434
"704426"	446.110767	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+H+K"	39.970434
"1457517"	162.027067	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H+K"	39.970434
"251105"	610.201226	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+ACN+H"	42.033826
"1213364"	326.117526	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+ACN+H"	42.033826
"1200526"	163.562401	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+ACN+2H"	43.041102
"194491"	613.13856	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+2Na-H"	44.97116
"639521"	897.22226	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+2Na-H"	44.97116
"1141571"	329.05486	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2Na-H"	44.97116
"178664"	307.072918	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+2Na"	45.978436
"616038"	449.114768	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+2Na"	45.978436
"1122820"	165.031068	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2Na"	45.978436
"1399785"	110.356470666667	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H+2Na"	46.985712
"1435911"	331.096446	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H+HCOOH"	47.012746
"225974"	312.10594	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+3H2O+2H"	56.04448
"1516225"	345.14849	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+IsoProp+H"	61.06479
"420286"	315.059888	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+Na+K"	61.952376
"782744"	457.101738	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+Na+K"	61.952376
"1680169"	173.018038	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Na+K"	61.952376
"265959"	632.183168	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+ACN+Na"	64.015768
"1236847"	348.099468	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+ACN+Na"	64.015768
"1726463"	348.122993	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+NH4+HCOOH"	64.039293
"1188902"	117.683784666667	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+3Na"	68.967654
"1660981"	353.078388	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Na+HCOOH"	68.994688
"167841"	645.08644	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+2K-H"	76.91904
"610681"	929.17014	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+2K-H"	76.91904
"1098352"	361.00274	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2K-H"	76.91904
"147637"	323.046858	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"2M+2K"	77.926316
"591571"	465.088708	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"3M+2K"	77.926316
"1082404"	181.005008	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2K"	77.926316
"1108202"	363.017292	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2K+H"	78.933592
"1345681"	363.104907	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+DMSO+H"	79.021207
"1009834"	367.144076	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2ACN+H"	83.060376
"1527959"	368.137708	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+IsoProp+Na+H"	84.054008
"993317"	184.075676	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+2ACN+2H"	84.067652
"1590005"	369.052328	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+K+HCOOH"	84.968628
"1415665"	399.083838	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+H+CF3COOH"	115.000138
"1153613"	204.588951	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+3ACN+2H"	125.094202
"1698062"	416.110385	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+NH4+CF3COOH"	132.026685
"1635166"	421.06578	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+Na+CF3COOH"	136.98208
"1579934"	437.03972	"C18278"	"910-Dihydroxybenzoapyrene;Benzoapyrene-910-diol"	"C20H12O2"	"284.0837"	"M+K+CF3COOH"	152.95602
"810299"	284.0837	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M"	0
"986021"	265.06531	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-H2O-H"	-19.01839
"77542"	188.381857333333	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M-3H"	-3.021828
"511634"	283.076424	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M-3H"	-3.021828
"888342"	93.6872906666667	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-3H"	-3.021828
"9838"	283.076424	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M-2H"	-2.014552
"454988"	425.118274	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M-2H"	-2.014552
"828656"	141.034574	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-2H"	-2.014552
"93512"	567.160124	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M-H"	-1.007276
"533194"	851.243824	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M-H"	-1.007276
"910261"	283.076424	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-H"	-1.007276
"62538"	584.186671	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M-2H+NH4"	16.019271
"501403"	868.270371	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M-2H+NH4"	16.019271
"878234"	300.102971	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-2H+NH4"	16.019271
"45529"	589.142066	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M-2H+Na"	20.974666
"479749"	873.225766	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M-2H+Na"	20.974666
"860474"	305.058366	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-2H+Na"	20.974666
"1632559"	305.058366	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Na-2H"	20.974666
"104712"	301.064763	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M-H+Cl"	33.962126
"543179"	443.106613	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M-H+Cl"	33.962126
"939611"	159.022913	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-H+Cl"	33.962126
"274157"	603.136802	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+Cl"	34.969402
"666578"	887.220502	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+Cl"	34.969402
"1280074"	319.053102	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Cl"	34.969402
"23734"	605.116006	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M-2H+K"	36.948606
"466575"	889.199706	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M-2H+K"	36.948606
"843281"	321.032306	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-2H+K"	36.948606
"1567497"	321.032306	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+K-2H"	36.948606
"952463"	329.081894	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-H+HCOOH"	44.998194
"373597"	613.165601	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+HCOOH-H"	44.998201
"359666"	627.181251	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+Hac-H"	59.013851
"1502305"	343.097551	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Hac-H"	59.013851
"965108"	351.063851	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-H+NaCOOH"	66.980151
"118024"	319.053102	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+2Cl"	69.938804
"557222"	461.094952	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+2Cl"	69.938804
"1028209"	177.011252	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2Cl"	69.938804
"1247788"	363.002585	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Br"	78.918885
"1309143"	365.058572	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Cl+HCOOH"	80.974872
"1324450"	387.040529	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Cl+NaCOOH"	102.956829
"923173"	397.069286	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M-H+CF3COOH"	112.985586
"1298785"	433.045964	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Cl+CF3COOH"	148.962264
"1381929"	249.071024	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H-2H2O"	-35.012676
"1396630"	267.081	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H-H2O"	-17.0027
"297410"	569.174676	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+H"	1.007276
"690685"	853.258376	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+H"	1.007276
"1365455"	285.090976	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H"	1.007276
"139072"	285.090976	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+2H"	2.014552
"578268"	427.132826	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+2H"	2.014552
"1049618"	143.049126	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2H"	2.014552
"217519"	190.396409333333	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+3H"	3.021828
"653797"	285.090976	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+3H"	3.021828
"1170829"	95.7018426666667	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+3H"	3.021828
"433008"	586.201223	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+NH4"	18.033823
"791818"	870.284923	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+NH4"	18.033823
"1695444"	302.117523	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+NH4"	18.033823
"342995"	293.6042495	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+H+NH4"	19.041099
"729949"	435.6460995	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+H+NH4"	19.041099
"1487050"	151.5623995	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H+NH4"	19.041099
"400260"	591.156618	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+Na"	22.989218
"762351"	875.240318	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+Na"	22.989218
"1613728"	307.072918	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Na"	22.989218
"323764"	296.081947	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+H+Na"	23.996494
"715091"	438.123797	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+H+Na"	23.996494
"1471100"	154.040097	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H+Na"	23.996494
"1061063"	103.029156666667	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2H+Na"	25.00377
"1263833"	317.117186	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+CH3OH+H"	33.033486
"388967"	607.130558	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+K"	38.963158
"751054"	891.214258	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+K"	38.963158
"1554202"	323.046858	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+K"	38.963158
"308096"	304.068917	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+H+K"	39.970434
"696506"	446.110767	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+H+K"	39.970434
"1460668"	162.027067	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H+K"	39.970434
"250485"	610.201226	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+ACN+H"	42.033826
"1221128"	326.117526	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+ACN+H"	42.033826
"1206107"	163.562401	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+ACN+2H"	43.041102
"201898"	613.13856	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+2Na-H"	44.97116
"637447"	897.22226	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+2Na-H"	44.97116
"1136578"	329.05486	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2Na-H"	44.97116
"179869"	307.072918	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+2Na"	45.978436
"619428"	449.114768	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+2Na"	45.978436
"1123297"	165.031068	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2Na"	45.978436
"1405362"	110.356470666667	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H+2Na"	46.985712
"1435657"	331.096446	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H+HCOOH"	47.012746
"223893"	312.10594	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+3H2O+2H"	56.04448
"1516336"	345.14849	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+IsoProp+H"	61.06479
"419306"	315.059888	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+Na+K"	61.952376
"779209"	457.101738	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+Na+K"	61.952376
"1674083"	173.018038	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Na+K"	61.952376
"262425"	632.183168	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+ACN+Na"	64.015768
"1232585"	348.099468	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+ACN+Na"	64.015768
"1719284"	348.122993	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+NH4+HCOOH"	64.039293
"1189012"	117.683784666667	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+3Na"	68.967654
"1661822"	353.078388	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Na+HCOOH"	68.994688
"171963"	645.08644	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+2K-H"	76.91904
"608602"	929.17014	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+2K-H"	76.91904
"1096395"	361.00274	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2K-H"	76.91904
"154306"	323.046858	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"2M+2K"	77.926316
"596059"	465.088708	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"3M+2K"	77.926316
"1084019"	181.005008	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2K"	77.926316
"1114146"	363.017292	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2K+H"	78.933592
"1345792"	363.104907	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+DMSO+H"	79.021207
"1014321"	367.144076	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2ACN+H"	83.060376
"1531351"	368.137708	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+IsoProp+Na+H"	84.054008
"993426"	184.075676	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+2ACN+2H"	84.067652
"1593395"	369.052328	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+K+HCOOH"	84.968628
"1416873"	399.083838	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+H+CF3COOH"	115.000138
"1153723"	204.588951	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+3ACN+2H"	125.094202
"1701088"	416.110385	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+NH4+CF3COOH"	132.026685
"1634545"	421.06578	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+Na+CF3COOH"	136.98208
"1580044"	437.03972	"C18279"	"45-Dihydroxybenzoapyrene;Benzoapyrene-45-diol"	"C20H12O2"	"284.0837"	"M+K+CF3COOH"	152.95602
"810409"	284.0837	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M"	0
"986131"	265.06531	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-H2O-H"	-19.01839
"73278"	188.381857333333	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M-3H"	-3.021828
"510651"	283.076424	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M-3H"	-3.021828
"888452"	93.6872906666667	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-3H"	-3.021828
"9219"	283.076424	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M-2H"	-2.014552
"453153"	425.118274	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M-2H"	-2.014552
"829859"	141.034574	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-2H"	-2.014552
"93781"	567.160124	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M-H"	-1.007276
"533788"	851.243824	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M-H"	-1.007276
"909399"	283.076424	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-H"	-1.007276
"62199"	584.186671	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M-2H+NH4"	16.019271
"498961"	868.270371	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M-2H+NH4"	16.019271
"876764"	300.102971	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-2H+NH4"	16.019271
"45760"	589.142066	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M-2H+Na"	20.974666
"477674"	873.225766	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M-2H+Na"	20.974666
"859852"	305.058366	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-2H+Na"	20.974666
"1631574"	305.058366	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Na-2H"	20.974666
"104822"	301.064763	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M-H+Cl"	33.962126
"542194"	443.106613	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M-H+Cl"	33.962126
"940814"	159.022913	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-H+Cl"	33.962126
"274267"	603.136802	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+Cl"	34.969402
"667781"	887.220502	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+Cl"	34.969402
"1281277"	319.053102	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Cl"	34.969402
"24208"	605.116006	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M-2H+K"	36.948606
"466685"	889.199706	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M-2H+K"	36.948606
"846673"	321.032306	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-2H+K"	36.948606
"1569794"	321.032306	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+K-2H"	36.948606
"950386"	329.081894	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-H+HCOOH"	44.998194
"375166"	613.165601	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+HCOOH-H"	44.998201
"359049"	627.181251	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+Hac-H"	59.013851
"1502414"	343.097551	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Hac-H"	59.013851
"967771"	351.063851	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-H+NaCOOH"	66.980151
"118864"	319.053102	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+2Cl"	69.938804
"558427"	461.094952	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+2Cl"	69.938804
"1028320"	177.011252	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2Cl"	69.938804
"1247898"	363.002585	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Br"	78.918885
"1309253"	365.058572	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Cl+HCOOH"	80.974872
"1323103"	387.040529	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Cl+NaCOOH"	102.956829
"921095"	397.069286	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M-H+CF3COOH"	112.985586
"1301082"	433.045964	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Cl+CF3COOH"	148.962264
"1381674"	249.071024	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H-2H2O"	-35.012676
"1397594"	267.081	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H-H2O"	-17.0027
"298011"	569.174676	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+H"	1.007276
"690914"	853.258376	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+H"	1.007276
"1366535"	285.090976	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H"	1.007276
"139909"	285.090976	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+2H"	2.014552
"578742"	427.132826	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+2H"	2.014552
"1051551"	143.049126	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2H"	2.014552
"217265"	190.396409333333	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+3H"	3.021828
"654273"	285.090976	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+3H"	3.021828
"1172762"	95.7018426666667	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+3H"	3.021828
"434941"	586.201223	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+NH4"	18.033823
"791928"	870.284923	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+NH4"	18.033823
"1695554"	302.117523	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+NH4"	18.033823
"343105"	293.6042495	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+H+NH4"	19.041099
"731152"	435.6460995	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+H+NH4"	19.041099
"1488254"	151.5623995	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H+NH4"	19.041099
"399278"	591.156618	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+Na"	22.989218
"763555"	875.240318	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+Na"	22.989218
"1611653"	307.072918	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Na"	22.989218
"322781"	296.081947	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+H+Na"	23.996494
"716295"	438.123797	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+H+Na"	23.996494
"1471209"	154.040097	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H+Na"	23.996494
"1058985"	103.029156666667	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2H+Na"	25.00377
"1266130"	317.117186	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+CH3OH+H"	33.033486
"387983"	607.130558	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+K"	38.963158
"752258"	891.214258	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+K"	38.963158
"1554312"	323.046858	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+K"	38.963158
"306019"	304.068917	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+H+K"	39.970434
"696251"	446.110767	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+H+K"	39.970434
"1460653"	162.027067	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H+K"	39.970434
"251001"	610.201226	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+ACN+H"	42.033826
"1221239"	326.117526	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+ACN+H"	42.033826
"1202935"	163.562401	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+ACN+2H"	43.041102
"200181"	613.13856	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+2Na-H"	44.97116
"636463"	897.22226	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+2Na-H"	44.97116
"1137782"	329.05486	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2Na-H"	44.97116
"178883"	307.072918	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+2Na"	45.978436
"617351"	449.114768	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+2Na"	45.978436
"1124137"	165.031068	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2Na"	45.978436
"1406569"	110.356470666667	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H+2Na"	46.985712
"1437590"	331.096446	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H+HCOOH"	47.012746
"224004"	312.10594	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+3H2O+2H"	56.04448
"1516446"	345.14849	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+IsoProp+H"	61.06479
"419416"	315.059888	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+Na+K"	61.952376
"778955"	457.101738	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+Na+K"	61.952376
"1677474"	173.018038	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Na+K"	61.952376
"261441"	632.183168	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+ACN+Na"	64.015768
"1235976"	348.099468	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+ACN+Na"	64.015768
"1719394"	348.122993	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+NH4+HCOOH"	64.039293
"1190216"	117.683784666667	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+3Na"	68.967654
"1663025"	353.078388	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Na+HCOOH"	68.994688
"170978"	645.08644	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+2K-H"	76.91904
"611507"	929.17014	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+2K-H"	76.91904
"1096505"	361.00274	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2K-H"	76.91904
"154416"	323.046858	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"2M+2K"	77.926316
"596900"	465.088708	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"3M+2K"	77.926316
"1083850"	181.005008	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2K"	77.926316
"1114256"	363.017292	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2K+H"	78.933592
"1346996"	363.104907	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+DMSO+H"	79.021207
"1018805"	367.144076	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2ACN+H"	83.060376
"1530368"	368.137708	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+IsoProp+Na+H"	84.054008
"993536"	184.075676	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+2ACN+2H"	84.067652
"1592412"	369.052328	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+K+HCOOH"	84.968628
"1420263"	399.083838	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+H+CF3COOH"	115.000138
"1153833"	204.588951	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+3ACN+2H"	125.094202
"1698282"	416.110385	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+NH4+CF3COOH"	132.026685
"1634413"	421.06578	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+Na+CF3COOH"	136.98208
"1580154"	437.03972	"C18280"	"1112-Dihydroxybenzoapyrene;Benzoapyrene-1112-diol"	"C20H12O2"	"284.0837"	"M+K+CF3COOH"	152.95602
"810519"	270.0681	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M"	0
"986241"	251.04971	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-H2O-H"	-19.01839
"76668"	179.038124	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M-3H"	-3.021828
"510761"	269.060824	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M-3H"	-3.021828
"888562"	89.015424	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-3H"	-3.021828
"11517"	269.060824	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M-2H"	-2.014552
"453629"	404.094874	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M-2H"	-2.014552
"831430"	134.026774	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-2H"	-2.014552
"91786"	539.128924	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M-H"	-1.007276
"532562"	809.197024	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M-H"	-1.007276
"910971"	269.060824	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-H"	-1.007276
"62756"	556.155471	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M-2H+NH4"	16.019271
"501625"	826.223571	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M-2H+NH4"	16.019271
"877848"	286.087371	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-2H+NH4"	16.019271
"45019"	561.110866	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M-2H+Na"	20.974666
"479970"	831.178966	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M-2H+Na"	20.974666
"859962"	291.042766	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-2H+Na"	20.974666
"1632049"	291.042766	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Na-2H"	20.974666
"104932"	287.049163	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M-H+Cl"	33.962126
"543397"	422.083213	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M-H+Cl"	33.962126
"939102"	152.015113	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-H+Cl"	33.962126
"271097"	575.105602	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+Cl"	34.969402
"670078"	845.173702	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+Cl"	34.969402
"1281387"	305.037502	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Cl"	34.969402
"24318"	577.084806	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M-2H+K"	36.948606
"466794"	847.152906	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M-2H+K"	36.948606
"845689"	307.016706	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-2H+K"	36.948606
"1570268"	307.016706	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+K-2H"	36.948606
"950496"	315.066294	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-H+HCOOH"	44.998194
"376004"	585.134401	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+HCOOH-H"	44.998201
"359888"	599.150051	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+Hac-H"	59.013851
"1502524"	329.081951	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Hac-H"	59.013851
"967880"	337.048251	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-H+NaCOOH"	66.980151
"116786"	305.037502	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+2Cl"	69.938804
"558532"	440.071552	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+2Cl"	69.938804
"1029521"	170.003452	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2Cl"	69.938804
"1245818"	348.986985	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Br"	78.918885
"1306808"	351.042972	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Cl+HCOOH"	80.974872
"1323576"	373.024929	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Cl+NaCOOH"	102.956829
"921206"	383.053686	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M-H+CF3COOH"	112.985586
"1301922"	419.030364	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Cl+CF3COOH"	148.962264
"1377531"	235.055424	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H-2H2O"	-35.012676
"1395756"	253.0654	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H-H2O"	-17.0027
"291433"	541.143476	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+H"	1.007276
"688228"	811.211576	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+H"	1.007276
"1360569"	271.075376	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H"	1.007276
"136374"	271.075376	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+2H"	2.014552
"577393"	406.109426	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+2H"	2.014552
"1044369"	136.041326	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2H"	2.014552
"213364"	181.052676	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+3H"	3.021828
"652923"	271.075376	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+3H"	3.021828
"1171048"	91.029976	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+3H"	3.021828
"433228"	558.170023	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+NH4"	18.033823
"794224"	828.238123	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+NH4"	18.033823
"1695300"	288.101923	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+NH4"	18.033823
"339934"	279.5886495	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+H+NH4"	19.041099
"733449"	414.6226995	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+H+NH4"	19.041099
"1489092"	144.5545995	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H+NH4"	19.041099
"402668"	563.125418	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+Na"	22.989218
"762573"	833.193518	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+Na"	22.989218
"1612856"	293.057318	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Na"	22.989218
"322891"	282.066347	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+H+Na"	23.996494
"717499"	417.100397	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+H+Na"	23.996494
"1470226"	147.032297	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H+Na"	23.996494
"1061283"	98.35729	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2H+Na"	25.00377
"1266241"	303.101586	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+CH3OH+H"	33.033486
"389187"	579.099358	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+K"	38.963158
"751276"	849.167458	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+K"	38.963158
"1554786"	309.031258	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+K"	38.963158
"307224"	290.053317	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+H+K"	39.970434
"695268"	425.087367	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+H+K"	39.970434
"1457846"	155.019267	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H+K"	39.970434
"249004"	582.170026	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+ACN+H"	42.033826
"1218070"	312.101926	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+ACN+H"	42.033826
"1200859"	156.554601	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+ACN+2H"	43.041102
"199198"	585.10736	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+2Na-H"	44.97116
"638761"	855.17546	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+2Na-H"	44.97116
"1138986"	315.03926	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2Na-H"	44.97116
"178994"	293.057318	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+2Na"	45.978436
"619647"	428.091368	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+2Na"	45.978436
"1124977"	158.023268	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2Na"	45.978436
"1408502"	105.684604	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H+2Na"	46.985712
"1439886"	317.080846	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H+HCOOH"	47.012746
"225208"	298.09034	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+3H2O+2H"	56.04448
"1516556"	331.13289	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+IsoProp+H"	61.06479
"422442"	301.044288	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+Na+K"	61.952376
"784656"	436.078338	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+Na+K"	61.952376
"1679770"	166.010238	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Na+K"	61.952376
"264467"	604.151968	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+ACN+Na"	64.015768
"1233899"	334.083868	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+ACN+Na"	64.015768
"1721691"	334.107393	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+NH4+HCOOH"	64.039293
"1192513"	113.011918	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+3Na"	68.967654
"1663500"	339.062788	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Na+HCOOH"	68.994688
"172264"	617.05524	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+2K-H"	76.91904
"611617"	887.12334	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+2K-H"	76.91904
"1096615"	346.98714	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2K-H"	76.91904
"153433"	309.031258	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"2M+2K"	77.926316
"596481"	444.065308	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"3M+2K"	77.926316
"1083596"	173.997208	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2K"	77.926316
"1110718"	349.001692	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2K+H"	78.933592
"1348199"	349.089307	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+DMSO+H"	79.021207
"1016728"	353.128476	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2ACN+H"	83.060376
"1532664"	354.122108	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+IsoProp+Na+H"	84.054008
"992551"	177.067876	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+2ACN+2H"	84.067652
"1592521"	355.036728	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+K+HCOOH"	84.968628
"1420373"	385.068238	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+H+CF3COOH"	115.000138
"1153943"	197.581151	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+3ACN+2H"	125.094202
"1698028"	402.094785	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+NH4+CF3COOH"	132.026685
"1635865"	407.05018	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+Na+CF3COOH"	136.98208
"1580264"	423.02412	"C18281"	"10-Oxabenzodefchrysen-9-one;9H-Pyreno12-bpyran-9-one"	"C19H10O2"	"270.0681"	"M+K+CF3COOH"	152.95602
"810629"	272.0837	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M"	0
"985987"	253.06531	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H2O-H"	-19.01839
"75685"	180.381857333333	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-3H"	-3.021828
"510871"	271.076424	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-3H"	-3.021828
"887579"	89.6872906666667	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-3H"	-3.021828
"12356"	271.076424	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H"	-2.014552
"454103"	407.118274	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H"	-2.014552
"830446"	135.034574	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H"	-2.014552
"91531"	543.160124	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-H"	-1.007276
"534053"	815.243824	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-H"	-1.007276
"911287"	271.076424	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H"	-1.007276
"61932"	560.186671	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H+NH4"	16.019271
"501856"	832.270371	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H+NH4"	16.019271
"878686"	288.102971	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H+NH4"	16.019271
"44644"	565.142066	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H+Na"	20.974666
"473517"	837.225766	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H+Na"	20.974666
"855698"	293.058366	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H+Na"	20.974666
"1631066"	293.058366	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na-2H"	20.974666
"105042"	289.064763	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-H+Cl"	33.962126
"542414"	425.106613	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-H+Cl"	33.962126
"939939"	153.022913	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+Cl"	33.962126
"281047"	579.136802	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Cl"	34.969402
"670188"	851.220502	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+Cl"	34.969402
"1284777"	307.053102	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl"	34.969402
"28437"	581.116006	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H+K"	36.948606
"467998"	853.199706	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H+K"	36.948606
"844705"	309.032306	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H+K"	36.948606
"1570986"	309.032306	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K-2H"	36.948606
"950606"	317.081894	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+HCOOH"	44.998194
"376831"	589.165601	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+HCOOH-H"	44.998201
"357079"	603.181251	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Hac-H"	59.013851
"1497167"	331.097551	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Hac-H"	59.013851
"965802"	339.063851	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+NaCOOH"	66.980151
"117989"	307.053102	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2Cl"	69.938804
"559735"	443.094952	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2Cl"	69.938804
"1031816"	171.011252	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2Cl"	69.938804
"1246293"	351.002585	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Br"	78.918885
"1308012"	353.058572	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl+HCOOH"	80.974872
"1324416"	375.040529	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl+NaCOOH"	102.956829
"920223"	385.069286	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+CF3COOH"	112.985586
"1299845"	421.045964	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl+CF3COOH"	148.962264
"1379099"	237.071024	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H-2H2O"	-35.012676
"1395137"	255.081	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H-H2O"	-17.0027
"293730"	545.174676	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H"	1.007276
"687974"	817.258376	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H"	1.007276
"1360679"	273.090976	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H"	1.007276
"136483"	273.090976	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2H"	2.014552
"576043"	409.132826	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2H"	2.014552
"1048851"	137.049126	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2H"	2.014552
"216388"	182.396409333333	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+3H"	3.021828
"656314"	273.090976	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+3H"	3.021828
"1172252"	91.7018426666667	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+3H"	3.021828
"434431"	562.201223	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+NH4"	18.033823
"794335"	834.284923	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+NH4"	18.033823
"1689574"	290.117523	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+NH4"	18.033823
"338952"	281.6042495	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H+NH4"	19.041099
"732466"	417.6460995	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H+NH4"	19.041099
"1487380"	145.5623995	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+NH4"	19.041099
"403508"	567.156618	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Na"	22.989218
"763776"	839.240318	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+Na"	22.989218
"1610777"	295.072918	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na"	22.989218
"318626"	284.081947	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H+Na"	23.996494
"713234"	420.123797	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H+Na"	23.996494
"1468147"	148.040097	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+Na"	23.996494
"1063581"	99.0291566666667	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2H+Na"	25.00377
"1266351"	305.117186	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+CH3OH+H"	33.033486
"387111"	583.130558	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+K"	38.963158
"750294"	855.214258	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+K"	38.963158
"1552709"	311.046858	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K"	38.963158
"307334"	292.068917	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H+K"	39.970434
"694285"	428.110767	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H+K"	39.970434
"1457956"	156.027067	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+K"	39.970434
"250207"	586.201226	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+ACN+H"	42.033826
"1220367"	314.117526	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+ACN+H"	42.033826
"1202062"	157.562401	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+ACN+2H"	43.041102
"198211"	589.13856	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2Na-H"	44.97116
"638868"	861.22226	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2Na-H"	44.97116
"1141281"	317.05486	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2Na-H"	44.97116
"180198"	295.072918	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2Na"	45.978436
"622311"	431.114768	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2Na"	45.978436
"1123264"	159.031068	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2Na"	45.978436
"1408247"	106.356470666667	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+2Na"	46.985712
"1442186"	319.096446	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+HCOOH"	47.012746
"230787"	300.10594	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+3H2O+2H"	56.04448
"1515568"	333.14849	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+IsoProp+H"	61.06479
"421457"	303.059888	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Na+K"	61.952376
"784644"	439.101738	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+Na+K"	61.952376
"1681220"	167.018038	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na+K"	61.952376
"266402"	608.183168	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+ACN+Na"	64.015768
"1240328"	336.099468	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+ACN+Na"	64.015768
"1727027"	336.122993	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+NH4+HCOOH"	64.039293
"1193233"	113.683784666667	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+3Na"	68.967654
"1665353"	341.078388	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na+HCOOH"	68.994688
"172816"	621.08644	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2K-H"	76.91904
"611848"	893.17014	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2K-H"	76.91904
"1096725"	349.00274	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2K-H"	76.91904
"153543"	311.046858	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2K"	77.926316
"595291"	447.088708	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2K"	77.926316
"1084150"	175.005008	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2K"	77.926316
"1110828"	351.017292	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2K+H"	78.933592
"1349402"	351.104907	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+DMSO+H"	79.021207
"1017931"	355.144076	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2ACN+H"	83.060376
"1529495"	356.137708	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+IsoProp+Na+H"	84.054008
"994849"	178.075676	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2ACN+2H"	84.067652
"1597005"	357.052328	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K+HCOOH"	84.968628
"1420483"	387.083838	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+CF3COOH"	115.000138
"1154053"	198.588951	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+3ACN+2H"	125.094202
"1701418"	404.110385	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+NH4+CF3COOH"	132.026685
"1634231"	409.06578	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na+CF3COOH"	136.98208
"1580374"	425.03972	"C18282"	"5-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K+CF3COOH"	152.95602
"810739"	272.0837	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M"	0
"986461"	253.06531	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H2O-H"	-19.01839
"72515"	180.381857333333	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-3H"	-3.021828
"510981"	271.076424	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-3H"	-3.021828
"885502"	89.6872906666667	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-3H"	-3.021828
"10644"	271.076424	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H"	-2.014552
"452389"	407.118274	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H"	-2.014552
"830190"	135.034574	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H"	-2.014552
"87994"	543.160124	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-H"	-1.007276
"533025"	815.243824	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-H"	-1.007276
"905355"	271.076424	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H"	-1.007276
"57544"	560.186671	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H+NH4"	16.019271
"500020"	832.270371	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H+NH4"	16.019271
"873812"	288.102971	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H+NH4"	16.019271
"45969"	565.142066	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H+Na"	20.974666
"472534"	837.225766	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H+Na"	20.974666
"850339"	293.058366	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H+Na"	20.974666
"1625341"	293.058366	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na-2H"	20.974666
"102963"	289.064763	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-H+Cl"	33.962126
"542524"	425.106613	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-H+Cl"	33.962126
"939321"	153.022913	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+Cl"	33.962126
"278244"	579.136802	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Cl"	34.969402
"665923"	851.220502	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+Cl"	34.969402
"1284887"	307.053102	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl"	34.969402
"17609"	581.116006	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M-2H+K"	36.948606
"463730"	853.199706	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M-2H+K"	36.948606
"838253"	309.032306	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-2H+K"	36.948606
"1562835"	309.032306	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K-2H"	36.948606
"945246"	317.081894	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+HCOOH"	44.998194
"367838"	589.165601	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+HCOOH-H"	44.998201
"357189"	603.181251	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Hac-H"	59.013851
"1496179"	331.097551	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Hac-H"	59.013851
"962631"	339.063851	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+NaCOOH"	66.980151
"112995"	307.053102	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2Cl"	69.938804
"553649"	443.094952	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2Cl"	69.938804
"1031562"	171.011252	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2Cl"	69.938804
"1251505"	351.002585	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Br"	78.918885
"1316870"	353.058572	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl+HCOOH"	80.974872
"1330357"	375.040529	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl+NaCOOH"	102.956829
"922520"	385.069286	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M-H+CF3COOH"	112.985586
"1301778"	421.045964	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Cl+CF3COOH"	148.962264
"1380302"	237.071024	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H-2H2O"	-35.012676
"1395247"	255.081	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H-H2O"	-17.0027
"297120"	545.174676	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H"	1.007276
"687355"	817.258376	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H"	1.007276
"1360789"	273.090976	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H"	1.007276
"136593"	273.090976	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2H"	2.014552
"576153"	409.132826	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2H"	2.014552
"1049691"	137.049126	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2H"	2.014552
"216499"	182.396409333333	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+3H"	3.021828
"656789"	273.090976	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+3H"	3.021828
"1173091"	91.7018426666667	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+3H"	3.021828
"434541"	562.201223	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+NH4"	18.033823
"794445"	834.284923	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+NH4"	18.033823
"1689684"	290.117523	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+NH4"	18.033823
"340885"	281.6042495	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H+NH4"	19.041099
"731483"	417.6460995	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H+NH4"	19.041099
"1487490"	145.5623995	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+NH4"	19.041099
"403982"	567.156618	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Na"	22.989218
"763886"	839.240318	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+Na"	22.989218
"1610887"	295.072918	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na"	22.989218
"318736"	284.081947	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H+Na"	23.996494
"712251"	420.123797	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H+Na"	23.996494
"1468257"	148.040097	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+Na"	23.996494
"1063327"	99.0291566666667	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2H+Na"	25.00377
"1266461"	305.117186	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+CH3OH+H"	33.033486
"387221"	583.130558	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+K"	38.963158
"748216"	855.214258	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+K"	38.963158
"1550267"	311.046858	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K"	38.963158
"306350"	292.068917	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+H+K"	39.970434
"693302"	428.110767	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+H+K"	39.970434
"1453688"	156.027067	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+K"	39.970434
"241195"	586.201226	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+ACN+H"	42.033826
"1217197"	314.117526	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+ACN+H"	42.033826
"1199986"	157.562401	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+ACN+2H"	43.041102
"195041"	589.13856	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2Na-H"	44.97116
"637885"	861.22226	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2Na-H"	44.97116
"1138112"	317.05486	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2Na-H"	44.97116
"177027"	295.072918	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2Na"	45.978436
"620962"	431.114768	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2Na"	45.978436
"1120094"	159.031068	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2Na"	45.978436
"1401430"	106.356470666667	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+2Na"	46.985712
"1435734"	319.096446	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+HCOOH"	47.012746
"229802"	300.10594	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+3H2O+2H"	56.04448
"1516771"	333.14849	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+IsoProp+H"	61.06479
"418651"	303.059888	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+Na+K"	61.952376
"783904"	439.101738	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+Na+K"	61.952376
"1680599"	167.018038	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na+K"	61.952376
"265053"	608.183168	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+ACN+Na"	64.015768
"1238492"	336.099468	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+ACN+Na"	64.015768
"1724098"	336.122993	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+NH4+HCOOH"	64.039293
"1190549"	113.683784666667	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+3Na"	68.967654
"1662625"	341.078388	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na+HCOOH"	68.994688
"171672"	621.08644	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2K-H"	76.91904
"607949"	893.17014	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2K-H"	76.91904
"1096835"	349.00274	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2K-H"	76.91904
"153653"	311.046858	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"2M+2K"	77.926316
"595401"	447.088708	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"3M+2K"	77.926316
"1083442"	175.005008	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2K"	77.926316
"1110938"	351.017292	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2K+H"	78.933592
"1347326"	351.104907	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+DMSO+H"	79.021207
"1016948"	355.144076	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2ACN+H"	83.060376
"1527053"	356.137708	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+IsoProp+Na+H"	84.054008
"994959"	178.075676	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+2ACN+2H"	84.067652
"1592742"	357.052328	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K+HCOOH"	84.968628
"1416218"	387.083838	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+H+CF3COOH"	115.000138
"1148696"	198.588951	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+3ACN+2H"	125.094202
"1698248"	404.110385	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+NH4+CF3COOH"	132.026685
"1634224"	409.06578	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+Na+CF3COOH"	136.98208
"1580484"	425.03972	"C18283"	"4-Chrysenecarboxylate"	"C19H12O2"	"272.0837"	"M+K+CF3COOH"	152.95602
"807569"	286.0994	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M"	0
"987665"	267.08101	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H2O-H"	-19.01839
"74812"	189.725657333333	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-3H"	-3.021828
"515465"	285.092124	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-3H"	-3.021828
"893267"	94.3591906666667	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-3H"	-3.021828
"11847"	285.092124	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H"	-2.014552
"451406"	428.141824	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H"	-2.014552
"830178"	142.042424	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H"	-2.014552
"89198"	571.191524	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H"	-1.007276
"533742"	857.290924	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H"	-1.007276
"909112"	285.092124	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H"	-1.007276
"58748"	588.218071	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+NH4"	16.019271
"499402"	874.317471	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+NH4"	16.019271
"877935"	302.118671	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+NH4"	16.019271
"41823"	593.173466	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+Na"	20.974666
"474465"	879.272866	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+Na"	20.974666
"852635"	307.074066	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+Na"	20.974666
"1625451"	307.074066	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na-2H"	20.974666
"99793"	303.080463	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H+Cl"	33.962126
"543727"	446.130163	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H+Cl"	33.962126
"939429"	160.030763	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+Cl"	33.962126
"277987"	607.168202	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Cl"	34.969402
"670408"	893.267602	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Cl"	34.969402
"1283904"	321.068802	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl"	34.969402
"20999"	609.147406	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+K"	36.948606
"462748"	895.246806	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+K"	36.948606
"837635"	323.048006	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+K"	36.948606
"1561851"	323.048006	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K-2H"	36.948606
"946084"	331.097594	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+HCOOH"	44.998194
"367948"	617.197001	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+HCOOH-H"	44.998201
"355112"	631.212651	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Hac-H"	59.013851
"1496653"	345.113251	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Hac-H"	59.013851
"964198"	353.079551	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+NaCOOH"	66.980151
"113469"	321.068802	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Cl"	69.938804
"553759"	464.118502	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Cl"	69.938804
"1032036"	178.019102	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Cl"	69.938804
"1252708"	365.018285	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Br"	78.918885
"1316979"	367.074272	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+HCOOH"	80.974872
"1332289"	389.056229	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+NaCOOH"	102.956829
"924818"	399.084986	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+CF3COOH"	112.985586
"1302253"	435.061664	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+CF3COOH"	148.962264
"1380776"	251.086724	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-2H2O"	-35.012676
"1396085"	269.0967	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-H2O"	-17.0027
"292490"	573.206076	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H"	1.007276
"689652"	859.305476	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H"	1.007276
"1361263"	287.106676	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H"	1.007276
"137067"	287.106676	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2H"	2.014552
"575898"	430.156376	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2H"	2.014552
"1050893"	144.056976	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H"	2.014552
"217338"	191.740209333333	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H"	3.021828
"657263"	287.106676	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+3H"	3.021828
"1173565"	96.3737426666667	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3H"	3.021828
"434651"	590.232623	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+NH4"	18.033823
"793462"	876.332023	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+NH4"	18.033823
"1690887"	304.133223	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4"	18.033823
"341359"	295.6199495	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+NH4"	19.041099
"729406"	438.6696495	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+NH4"	19.041099
"1485414"	152.5702495	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+NH4"	19.041099
"401905"	595.188018	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na"	22.989218
"761079"	881.287418	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na"	22.989218
"1612090"	309.088618	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na"	22.989218
"319210"	298.097647	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+Na"	23.996494
"713818"	441.147347	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+Na"	23.996494
"1474927"	155.047947	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+Na"	23.996494
"1065988"	103.701056666667	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H+Na"	25.00377
"1266571"	319.132886	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+CH3OH+H"	33.033486
"384053"	611.161958	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+K"	38.963158
"751607"	897.261358	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+K"	38.963158
"1548191"	325.062558	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K"	38.963158
"305367"	306.084617	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+K"	39.970434
"694507"	449.134317	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+K"	39.970434
"1454892"	163.034917	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+K"	39.970434
"248961"	614.232626	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+H"	42.033826
"1220589"	328.133226	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+H"	42.033826
"1201189"	164.570251	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+2H"	43.041102
"195152"	617.16996	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na-H"	44.97116
"637995"	903.26936	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na-H"	44.97116
"1140409"	331.07056	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na-H"	44.97116
"178231"	309.088618	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na"	45.978436
"619978"	452.138318	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na"	45.978436
"1124579"	166.038918	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na"	45.978436
"1401540"	111.028370666667	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+2Na"	46.985712
"1433657"	333.112146	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+HCOOH"	47.012746
"229912"	314.12164	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H2O+2H"	56.04448
"1519068"	347.16419	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+H"	61.06479
"417668"	317.075588	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na+K"	61.952376
"785194"	460.125288	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na+K"	61.952376
"1680955"	174.025888	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+K"	61.952376
"266746"	636.214568	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+Na"	64.015768
"1241094"	350.115168	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+Na"	64.015768
"1727491"	350.138693	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+HCOOH"	64.039293
"1190659"	118.355684666667	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3Na"	68.967654
"1662736"	355.094088	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+HCOOH"	68.994688
"172276"	649.11784	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K-H"	76.91904
"612318"	935.21724	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K-H"	76.91904
"1099742"	363.01844	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K-H"	76.91904
"155829"	325.062558	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K"	77.926316
"595390"	468.112258	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K"	77.926316
"1084036"	182.012858	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K"	77.926316
"1111048"	365.032992	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K+H"	78.933592
"1345248"	365.120607	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+DMSO+H"	79.021207
"1012684"	369.159776	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+H"	83.060376
"1528622"	370.153408	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+Na+H"	84.054008
"992517"	185.083526	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+2H"	84.067652
"1595039"	371.068028	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+HCOOH"	84.968628
"1415598"	401.099538	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+CF3COOH"	115.000138
"1148805"	205.596801	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3ACN+2H"	125.094202
"1698479"	418.126085	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+CF3COOH"	132.026685
"1634190"	423.08148	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+CF3COOH"	136.98208
"1580594"	439.05542	"C18284"	"Benzoapyrene-cis-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+CF3COOH"	152.95602
"809866"	286.0994	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M"	0
"985587"	267.08101	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H2O-H"	-19.01839
"72736"	189.725657333333	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-3H"	-3.021828
"513389"	285.092124	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-3H"	-3.021828
"891191"	94.3591906666667	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-3H"	-3.021828
"13047"	285.092124	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H"	-2.014552
"454312"	428.141824	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H"	-2.014552
"831141"	142.042424	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H"	-2.014552
"92347"	571.191524	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H"	-1.007276
"531909"	857.290924	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H"	-1.007276
"909587"	285.092124	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H"	-1.007276
"61654"	588.218071	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+NH4"	16.019271
"501947"	874.317471	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+NH4"	16.019271
"877316"	302.118671	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+NH4"	16.019271
"44849"	593.173466	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+Na"	20.974666
"474576"	879.272866	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+Na"	20.974666
"850680"	307.074066	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+Na"	20.974666
"1626654"	307.074066	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na-2H"	20.974666
"99903"	303.080463	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-H+Cl"	33.962126
"543837"	446.130163	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-H+Cl"	33.962126
"937351"	160.030763	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+Cl"	33.962126
"278099"	607.168202	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Cl"	34.969402
"672705"	893.267602	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Cl"	34.969402
"1285107"	321.068802	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl"	34.969402
"22204"	609.147406	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M-2H+K"	36.948606
"463952"	895.246806	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M-2H+K"	36.948606
"838474"	323.048006	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-2H+K"	36.948606
"1567427"	323.048006	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K-2H"	36.948606
"952028"	331.097594	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+HCOOH"	44.998194
"370247"	617.197001	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+HCOOH-H"	44.998201
"356315"	631.212651	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Hac-H"	59.013851
"1497859"	345.113251	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Hac-H"	59.013851
"959567"	353.079551	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+NaCOOH"	66.980151
"111513"	321.068802	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Cl"	69.938804
"557150"	464.118502	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Cl"	69.938804
"1028865"	178.019102	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Cl"	69.938804
"1249537"	365.018285	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Br"	78.918885
"1307247"	367.074272	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+HCOOH"	80.974872
"1329482"	389.056229	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+NaCOOH"	102.956829
"923830"	399.084986	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M-H+CF3COOH"	112.985586
"1301631"	435.061664	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Cl+CF3COOH"	148.962264
"1380886"	251.086724	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-2H2O"	-35.012676
"1394008"	269.0967	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H-H2O"	-17.0027
"292600"	573.206076	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H"	1.007276
"689397"	859.305476	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H"	1.007276
"1364291"	287.106676	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H"	1.007276
"137542"	287.106676	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2H"	2.014552
"577103"	430.156376	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2H"	2.014552
"1051368"	144.056976	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H"	2.014552
"218421"	191.740209333333	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H"	3.021828
"657374"	287.106676	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+3H"	3.021828
"1174769"	96.3737426666667	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3H"	3.021828
"438042"	590.232623	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+NH4"	18.033823
"798672"	876.332023	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+NH4"	18.033823
"1694277"	304.133223	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4"	18.033823
"341466"	295.6199495	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+NH4"	19.041099
"730609"	438.6696495	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+NH4"	19.041099
"1486617"	152.5702495	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+NH4"	19.041099
"402015"	595.188018	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na"	22.989218
"761918"	881.287418	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na"	22.989218
"1612200"	309.088618	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na"	22.989218
"320050"	298.097647	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+Na"	23.996494
"715751"	441.147347	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+Na"	23.996494
"1476009"	155.047947	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+Na"	23.996494
"1066946"	103.701056666667	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2H+Na"	25.00377
"1265588"	319.132886	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+CH3OH+H"	33.033486
"387443"	611.161958	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+K"	38.963158
"751717"	897.261358	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+K"	38.963158
"1547208"	325.062558	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K"	38.963158
"309851"	306.084617	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+H+K"	39.970434
"695345"	449.134317	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+H+K"	39.970434
"1456095"	163.034917	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+K"	39.970434
"249071"	614.232626	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+H"	42.033826
"1218513"	328.133226	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+H"	42.033826
"1203488"	164.570251	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+2H"	43.041102
"195264"	617.16996	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na-H"	44.97116
"633736"	903.26936	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na-H"	44.97116
"1137241"	331.07056	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na-H"	44.97116
"180528"	309.088618	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2Na"	45.978436
"623369"	452.138318	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2Na"	45.978436
"1120315"	166.038918	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2Na"	45.978436
"1401650"	111.028370666667	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+2Na"	46.985712
"1433768"	333.112146	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+HCOOH"	47.012746
"226743"	314.12164	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+3H2O+2H"	56.04448
"1513711"	347.16419	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+H"	61.06479
"423372"	317.075588	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+Na+K"	61.952376
"784245"	460.125288	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+Na+K"	61.952376
"1679847"	174.025888	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+K"	61.952376
"266003"	636.214568	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+ACN+Na"	64.015768
"1239806"	350.115168	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+ACN+Na"	64.015768
"1728208"	350.138693	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+HCOOH"	64.039293
"1193318"	118.355684666667	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3Na"	68.967654
"1664911"	355.094088	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+HCOOH"	68.994688
"171406"	649.11784	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K-H"	76.91904
"610843"	935.21724	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K-H"	76.91904
"1098758"	363.01844	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K-H"	76.91904
"154966"	325.062558	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"2M+2K"	77.926316
"590153"	468.112258	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"3M+2K"	77.926316
"1076853"	182.012858	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K"	77.926316
"1108970"	365.032992	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2K+H"	78.933592
"1350582"	365.120607	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+DMSO+H"	79.021207
"1016075"	369.159776	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+H"	83.060376
"1534200"	370.153408	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+IsoProp+Na+H"	84.054008
"994087"	185.083526	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+2ACN+2H"	84.067652
"1590777"	371.068028	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+HCOOH"	84.968628
"1415708"	401.099538	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+H+CF3COOH"	115.000138
"1152196"	205.596801	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+3ACN+2H"	125.094202
"1698468"	418.126085	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+NH4+CF3COOH"	132.026685
"1635209"	423.08148	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+Na+CF3COOH"	136.98208
"1580704"	439.05542	"C18285"	"Benzoapyrene-trans-1112-dihydrodiol"	"C20H14O2"	"286.0994"	"M+K+CF3COOH"	152.95602
"814351"	268.0888	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M"	0
"986791"	249.07041	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-H2O-H"	-19.01839
"78153"	177.718590666667	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M-3H"	-3.021828
"518287"	267.081524	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M-3H"	-3.021828
"895286"	88.3556573333333	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-3H"	-3.021828
"15104"	267.081524	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M-2H"	-2.014552
"454910"	401.125924	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M-2H"	-2.014552
"831860"	133.037124	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-2H"	-2.014552
"93557"	535.170324	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M-H"	-1.007276
"533722"	803.259124	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M-H"	-1.007276
"910917"	267.081524	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-H"	-1.007276
"62010"	552.196871	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M-2H+NH4"	16.019271
"502710"	820.285671	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M-2H+NH4"	16.019271
"879658"	284.108071	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-2H+NH4"	16.019271
"44234"	557.152266	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M-2H+Na"	20.974666
"475049"	825.241066	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M-2H+Na"	20.974666
"852856"	289.063466	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-2H+Na"	20.974666
"1626765"	289.063466	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Na-2H"	20.974666
"106574"	285.069863	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M-H+Cl"	33.962126
"543948"	419.114263	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M-H+Cl"	33.962126
"937461"	151.025463	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-H+Cl"	33.962126
"278938"	571.147002	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+Cl"	34.969402
"672815"	839.235802	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+Cl"	34.969402
"1285217"	303.058202	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Cl"	34.969402
"23407"	573.126206	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M-2H+K"	36.948606
"462969"	841.215006	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M-2H+K"	36.948606
"839678"	305.037406	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-2H+K"	36.948606
"1565352"	305.037406	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+K-2H"	36.948606
"952139"	313.086994	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-H+HCOOH"	44.998194
"373273"	581.175801	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+HCOOH-H"	44.998201
"356061"	595.191451	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+Hac-H"	59.013851
"1497969"	327.102651	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Hac-H"	59.013851
"960041"	335.068951	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-H+NaCOOH"	66.980151
"111866"	303.058202	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+2Cl"	69.938804
"556896"	437.102602	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+2Cl"	69.938804
"1028975"	169.013802	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2Cl"	69.938804
"1251834"	347.007685	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Br"	78.918885
"1307358"	349.063672	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Cl+HCOOH"	80.974872
"1332872"	371.045629	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Cl+NaCOOH"	102.956829
"921754"	381.074386	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M-H+CF3COOH"	112.985586
"1298461"	417.051064	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Cl+CF3COOH"	148.962264
"1380996"	233.076124	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H-2H2O"	-35.012676
"1394118"	251.0861	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H-H2O"	-17.0027
"292710"	537.184876	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+H"	1.007276
"689144"	805.273676	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+H"	1.007276
"1365131"	269.096076	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H"	1.007276
"139475"	269.096076	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+2H"	2.014552
"578306"	403.140476	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+2H"	2.014552
"1051844"	135.051676	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2H"	2.014552
"218896"	179.733142666667	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+3H"	3.021828
"658215"	269.096076	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+3H"	3.021828
"1176341"	90.3702093333333	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+3H"	3.021828
"437787"	554.211423	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+NH4"	18.033823
"799513"	822.300223	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+NH4"	18.033823
"1694388"	286.122623	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+NH4"	18.033823
"342670"	277.6093495	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+H+NH4"	19.041099
"730720"	411.6537495	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+H+NH4"	19.041099
"1485634"	143.5649495	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H+NH4"	19.041099
"401033"	559.166818	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+Na"	22.989218
"762028"	827.255618	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+Na"	22.989218
"1611217"	291.078018	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Na"	22.989218
"326721"	280.087047	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+H+Na"	23.996494
"718048"	414.131447	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+H+Na"	23.996494
"1476855"	146.042647	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H+Na"	23.996494
"1067748"	97.6975233333333	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2H+Na"	25.00377
"1271936"	301.122286	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+CH3OH+H"	33.033486
"389741"	575.140758	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+K"	38.963158
"750734"	843.229558	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+K"	38.963158
"1551691"	307.051958	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+K"	38.963158
"309961"	288.074017	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+H+K"	39.970434
"696917"	422.118417	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+H+K"	39.970434
"1456205"	154.029617	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H+K"	39.970434
"248817"	578.211426	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+H"	42.033826
"1214250"	310.122626	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+ACN+H"	42.033826
"1201412"	155.564951	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+ACN+2H"	43.041102
"199750"	581.14876	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+2Na-H"	44.97116
"639313"	849.23756	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+2Na-H"	44.97116
"1143183"	313.05996	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2Na-H"	44.97116
"181734"	291.078018	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+2Na"	45.978436
"623481"	425.122418	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+2Na"	45.978436
"1124798"	157.033618	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2Na"	45.978436
"1405042"	105.024837333333	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H+2Na"	46.985712
"1434971"	315.101546	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H+HCOOH"	47.012746
"230136"	296.11104	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+3H2O+2H"	56.04448
"1519290"	329.15359	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+H"	61.06479
"423482"	299.064988	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+Na+K"	61.952376
"784842"	433.109388	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+Na+K"	61.952376
"1680321"	165.020588	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Na+K"	61.952376
"265019"	600.193368	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+ACN+Na"	64.015768
"1237729"	332.104568	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+ACN+Na"	64.015768
"1725521"	332.128093	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+NH4+HCOOH"	64.039293
"1192697"	112.352151333333	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+3Na"	68.967654
"1664050"	337.083488	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Na+HCOOH"	68.994688
"172493"	613.09664	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+2K-H"	76.91904
"612578"	881.18544	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+2K-H"	76.91904
"1099836"	345.00784	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2K-H"	76.91904
"152889"	307.051958	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"2M+2K"	77.926316
"590263"	441.096358	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"3M+2K"	77.926316
"1083775"	173.007558	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2K"	77.926316
"1114306"	347.022392	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2K+H"	78.933592
"1348747"	347.110007	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+DMSO+H"	79.021207
"1019465"	351.149176	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+H"	83.060376
"1536497"	352.142808	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+IsoProp+Na+H"	84.054008
"994197"	176.078226	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+2ACN+2H"	84.067652
"1591981"	353.057428	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+K+HCOOH"	84.968628
"1424201"	383.088938	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+H+CF3COOH"	115.000138
"1149021"	196.591501	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+3ACN+2H"	125.094202
"1701858"	400.115485	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+NH4+CF3COOH"	132.026685
"1635319"	405.07088	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+Na+CF3COOH"	136.98208
"1580814"	421.04482	"C18286"	"Benzoapyrene-1112-epoxide"	"C20H12O"	"268.0888"	"M+K+CF3COOH"	152.95602
"807907"	351.0743	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M"	0
"978159"	332.05591	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-H2O-H"	-19.01839
"67493"	233.042257333333	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M-3H"	-3.021828
"510332"	350.067024	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M-3H"	-3.021828
"890322"	116.017490666667	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-3H"	-3.021828
"14000"	350.067024	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M-2H"	-2.014552
"451738"	525.604174	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M-2H"	-2.014552
"818368"	174.529874	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-2H"	-2.014552
"83337"	701.141324	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M-H"	-1.007276
"518889"	1052.215624	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M-H"	-1.007276
"896326"	350.067024	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-H"	-1.007276
"58366"	718.167871	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M-2H+NH4"	16.019271
"494282"	1069.242171	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M-2H+NH4"	16.019271
"875000"	367.093571	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-2H+NH4"	16.019271
"42900"	723.123266	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M-2H+Na"	20.974666
"485743"	1074.197566	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M-2H+Na"	20.974666
"851881"	372.048966	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-2H+Na"	20.974666
"1619954"	372.048966	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Na-2H"	20.974666
"97945"	368.055363	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M-H+Cl"	33.962126
"535433"	543.592513	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M-H+Cl"	33.962126
"931021"	192.518213	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-H+Cl"	33.962126
"270671"	737.118002	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+Cl"	34.969402
"663090"	1088.192302	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+Cl"	34.969402
"1273792"	386.043702	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Cl"	34.969402
"21334"	739.097206	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M-2H+K"	36.948606
"461994"	1090.171506	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M-2H+K"	36.948606
"838703"	388.022906	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-2H+K"	36.948606
"1560003"	388.022906	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+K-2H"	36.948606
"946794"	396.072494	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-H+HCOOH"	44.998194
"369382"	747.146801	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+HCOOH-H"	44.998201
"352170"	761.162451	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+Hac-H"	59.013851
"1501009"	410.088151	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Hac-H"	59.013851
"971835"	418.054451	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-H+NaCOOH"	66.980151
"119649"	386.043702	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+2Cl"	69.938804
"560302"	561.580852	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+2Cl"	69.938804
"1031288"	210.506552	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2Cl"	69.938804
"1251959"	429.993185	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Br"	78.918885
"1312221"	432.049172	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Cl+HCOOH"	80.974872
"1327529"	454.031129	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Cl+NaCOOH"	102.956829
"921867"	464.059886	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M-H+CF3COOH"	112.985586
"1297482"	500.036564	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Cl+CF3COOH"	148.962264
"1375643"	316.061624	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H-2H2O"	-35.012676
"1396420"	334.0716	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H-H2O"	-17.0027
"293923"	703.155876	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+H"	1.007276
"688531"	1054.230176	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+H"	1.007276
"1363785"	352.081576	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H"	1.007276
"137770"	352.081576	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+2H"	2.014552
"571864"	527.618726	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+2H"	2.014552
"1045037"	176.544426	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2H"	2.014552
"215124"	235.056809333333	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+3H"	3.021828
"653594"	352.081576	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+3H"	3.021828
"1169532"	118.032042666667	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+3H"	3.021828
"431712"	720.182423	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+NH4"	18.033823
"793071"	1071.256723	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+NH4"	18.033823
"1690133"	369.108123	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+NH4"	18.033823
"338409"	360.5948495	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+H+NH4"	19.041099
"728644"	536.1319995	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+H+NH4"	19.041099
"1484650"	185.0576995	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H+NH4"	19.041099
"402237"	725.137818	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+Na"	22.989218
"762139"	1076.212118	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+Na"	22.989218
"1612425"	374.063518	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Na"	22.989218
"322462"	363.072547	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+H+Na"	23.996494
"719256"	538.609697	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+H+Na"	23.996494
"1468701"	187.535397	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H+Na"	23.996494
"1060854"	125.359356666667	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2H+Na"	25.00377
"1261435"	384.107786	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+CH3OH+H"	33.033486
"383303"	741.111758	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+K"	38.963158
"743205"	1092.186058	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+K"	38.963158
"1550730"	390.037458	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+K"	38.963158
"310090"	371.059517	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+H+K"	39.970434
"693037"	546.596667	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+H+K"	39.970434
"1447584"	195.522367	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H+K"	39.970434
"235857"	744.182426	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+ACN+H"	42.033826
"1210350"	393.108126	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+ACN+H"	42.033826
"1194960"	197.057701	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+ACN+2H"	43.041102
"189167"	747.11976	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+2Na-H"	44.97116
"630671"	1098.19406	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+2Na-H"	44.97116
"1142938"	396.04546	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2Na-H"	44.97116
"185864"	374.063518	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+2Na"	45.978436
"626884"	549.600668	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+2Na"	45.978436
"1130997"	198.526368	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2Na"	45.978436
"1413758"	132.686670666667	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H+2Na"	46.985712
"1442748"	398.087046	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H+HCOOH"	47.012746
"231712"	379.09654	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+3H2O+2H"	56.04448
"1518314"	412.13909	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+IsoProp+H"	61.06479
"419825"	382.050488	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+Na+K"	61.952376
"775717"	557.587638	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+Na+K"	61.952376
"1674234"	206.513338	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Na+K"	61.952376
"258565"	766.164368	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+ACN+Na"	64.015768
"1235647"	415.090068	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+ACN+Na"	64.015768
"1720161"	415.113593	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+NH4+HCOOH"	64.039293
"1189888"	140.013984666667	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+3Na"	68.967654
"1655409"	420.068988	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Na+HCOOH"	68.994688
"161177"	779.06764	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+2K-H"	76.91904
"602928"	1130.14194	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+2K-H"	76.91904
"1087440"	427.99334	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2K-H"	76.91904
"143891"	390.037458	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"2M+2K"	77.926316
"583453"	565.574608	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"3M+2K"	77.926316
"1071975"	214.500308	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2K"	77.926316
"1103727"	430.007892	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2K+H"	78.933592
"1336342"	430.095507	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+DMSO+H"	79.021207
"1010833"	434.134676	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2ACN+H"	83.060376
"1526772"	435.128308	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+IsoProp+Na+H"	84.054008
"991275"	217.570976	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+2ACN+2H"	84.067652
"1591004"	436.042928	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+K+HCOOH"	84.968628
"1415570"	466.074438	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+H+CF3COOH"	115.000138
"1147233"	238.084251	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+3ACN+2H"	125.094202
"1698691"	483.100985	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+NH4+CF3COOH"	132.026685
"1645282"	488.05638	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+Na+CF3COOH"	136.98208
"1574371"	504.03032	"C18295"	"Pretetramid;Pretetramide"	"C19H13NO6"	"351.0743"	"M+K+CF3COOH"	152.95602
"810204"	458.1325	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M"	0
"978268"	439.11411	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-H2O-H"	-19.01839
"68695"	304.414390666667	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M-3H"	-3.021828
"510442"	457.125224	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M-3H"	-3.021828
"890433"	151.703557333333	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-3H"	-3.021828
"11194"	457.125224	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M-2H"	-2.014552
"454036"	686.191474	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M-2H"	-2.014552
"820909"	228.058974	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-2H"	-2.014552
"82719"	915.257724	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M-H"	-1.007276
"524837"	1373.390224	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M-H"	-1.007276
"898265"	457.125224	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-H"	-1.007276
"58476"	932.284271	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M-2H+NH4"	16.019271
"498403"	1390.416771	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M-2H+NH4"	16.019271
"873287"	474.151771	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-2H+NH4"	16.019271
"43010"	937.239666	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M-2H+Na"	20.974666
"484760"	1395.372166	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M-2H+Na"	20.974666
"854178"	479.107166	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-2H+Na"	20.974666
"1628085"	479.107166	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Na-2H"	20.974666
"104614"	475.113563	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M-H+Cl"	33.962126
"536153"	704.179813	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M-H+Cl"	33.962126
"930037"	246.047313	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-H+Cl"	33.962126
"270781"	951.234402	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+Cl"	34.969402
"663200"	1409.366902	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+Cl"	34.969402
"1275968"	493.101902	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Cl"	34.969402
"22537"	953.213606	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M-2H+K"	36.948606
"464291"	1411.346106	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M-2H+K"	36.948606
"843187"	495.081106	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-2H+K"	36.948606
"1565580"	495.081106	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+K-2H"	36.948606
"949090"	503.130694	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-H+HCOOH"	44.998194
"372772"	961.263201	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+HCOOH-H"	44.998201
"354467"	975.278851	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+Hac-H"	59.013851
"1501119"	517.146351	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Hac-H"	59.013851
"971945"	525.112651	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-H+NaCOOH"	66.980151
"119759"	493.101902	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+2Cl"	69.938804
"562600"	722.168152	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+2Cl"	69.938804
"1032492"	264.035652	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2Cl"	69.938804
"1255350"	537.051385	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Br"	78.918885
"1310144"	539.107372	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Cl+HCOOH"	80.974872
"1328732"	561.089329	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Cl+NaCOOH"	102.956829
"921978"	571.118086	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M-H+CF3COOH"	112.985586
"1303425"	607.094764	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Cl+CF3COOH"	148.962264
"1382316"	423.119824	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H-2H2O"	-35.012676
"1397625"	441.1298	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H-H2O"	-17.0027
"296948"	917.272276	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+H"	1.007276
"691271"	1375.404776	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+H"	1.007276
"1367000"	459.139776	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H"	1.007276
"141315"	459.139776	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+2H"	2.014552
"577443"	688.206026	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+2H"	2.014552
"1051955"	230.073526	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2H"	2.014552
"219969"	306.428942666667	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+3H"	3.021828
"659658"	459.139776	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+3H"	3.021828
"1176933"	153.718109333333	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+3H"	3.021828
"435103"	934.298823	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+NH4"	18.033823
"800109"	1392.431323	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+NH4"	18.033823
"1696805"	476.166323	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+NH4"	18.033823
"340706"	467.6530495	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+H+NH4"	19.041099
"737381"	696.7192995	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+H+NH4"	19.041099
"1491931"	238.5867995	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H+NH4"	19.041099
"405626"	939.254218	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+Na"	22.989218
"764434"	1397.386718	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+Na"	22.989218
"1615815"	481.121718	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Na"	22.989218
"328648"	470.130747	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+H+Na"	23.996494
"720825"	699.196997	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+H+Na"	23.996494
"1474278"	241.064497	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H+Na"	23.996494
"1065338"	161.045423333333	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2H+Na"	25.00377
"1265922"	491.165986	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+CH3OH+H"	33.033486
"387788"	955.228158	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+K"	38.963158
"748784"	1413.360658	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+K"	38.963158
"1554849"	497.095658	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+K"	38.963158
"310200"	478.117717	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+H+K"	39.970434
"699343"	707.183967	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+H+K"	39.970434
"1452070"	249.051467	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H+K"	39.970434
"241763"	958.298826	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+ACN+H"	42.033826
"1218845"	500.166326	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+ACN+H"	42.033826
"1201635"	250.586801	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+ACN+2H"	43.041102
"195596"	961.23616	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+2Na-H"	44.97116
"636250"	1419.36866	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+2Na-H"	44.97116
"1139754"	503.10366	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2Na-H"	44.97116
"183785"	481.121718	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+2Na"	45.978436
"626264"	710.187968	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+2Na"	45.978436
"1129404"	252.055468	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2Na"	45.978436
"1413253"	168.372737333333	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H+2Na"	46.985712
"1445006"	505.145246	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H+HCOOH"	47.012746
"230364"	486.15474	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+3H2O+2H"	56.04448
"1517332"	519.19729	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+IsoProp+H"	61.06479
"418113"	489.108688	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+Na+K"	61.952376
"775827"	718.174938	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+Na+K"	61.952376
"1674344"	260.042438	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Na+K"	61.952376
"259768"	980.280768	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+ACN+Na"	64.015768
"1239767"	522.148268	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+ACN+Na"	64.015768
"1723551"	522.171793	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+NH4+HCOOH"	64.039293
"1193645"	175.700051333333	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+3Na"	68.967654
"1656612"	527.127188	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Na+HCOOH"	68.994688
"165661"	993.18404	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+2K-H"	76.91904
"607412"	1451.31654	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+2K-H"	76.91904
"1094111"	535.05154	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2K-H"	76.91904
"145096"	497.095658	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"2M+2K"	77.926316
"585020"	726.161908	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"3M+2K"	77.926316
"1076096"	268.029408	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2K"	77.926316
"1104931"	537.066092	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2K+H"	78.933592
"1336454"	537.153707	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+DMSO+H"	79.021207
"1010943"	541.192876	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2ACN+H"	83.060376
"1529070"	542.186508	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+IsoProp+Na+H"	84.054008
"993329"	271.100076	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+2ACN+2H"	84.067652
"1588927"	543.101128	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+K+HCOOH"	84.968628
"1414702"	573.132638	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+H+CF3COOH"	115.000138
"1147546"	291.613351	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+3ACN+2H"	125.094202
"1698801"	590.159185	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+NH4+CF3COOH"	132.026685
"1642112"	595.11458	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+Na+CF3COOH"	136.98208
"1577761"	611.08852	"C18296"	"5a11a-Dehydrooxytetracycline"	"C22H22N2O9"	"458.1325"	"M+K+CF3COOH"	152.95602
"810315"	460.1037	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M"	0
"976191"	441.08531	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-H2O-H"	-19.01839
"66619"	305.728524	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M-3H"	-3.021828
"508366"	459.096424	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M-3H"	-3.021828
"888355"	152.360624	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-3H"	-3.021828
"8023"	459.096424	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M-2H"	-2.014552
"451958"	689.148274	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M-2H"	-2.014552
"818102"	229.044574	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-2H"	-2.014552
"80278"	919.200124	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M-H"	-1.007276
"521670"	1379.303824	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M-H"	-1.007276
"896431"	459.096424	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-H"	-1.007276
"56034"	936.226671	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M-2H+NH4"	16.019271
"495597"	1396.330371	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M-2H+NH4"	16.019271
"872304"	476.122971	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-2H+NH4"	16.019271
"38017"	941.182066	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M-2H+Na"	20.974666
"481952"	1401.285766	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M-2H+Na"	20.974666
"853196"	481.078366	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-2H+Na"	20.974666
"1623823"	481.078366	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Na-2H"	20.974666
"104726"	477.084763	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M-H+Cl"	33.962126
"534763"	707.136613	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M-H+Cl"	33.962126
"930147"	247.032913	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-H+Cl"	33.962126
"273078"	955.176802	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+Cl"	34.969402
"664404"	1415.280502	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+Cl"	34.969402
"1276442"	495.073102	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Cl"	34.969402
"19730"	957.156006	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M-2H+K"	36.948606
"461121"	1417.259706	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M-2H+K"	36.948606
"842202"	497.052306	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-2H+K"	36.948606
"1564597"	497.052306	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+K-2H"	36.948606
"947014"	505.101894	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-H+HCOOH"	44.998194
"367415"	965.205601	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+HCOOH-H"	44.998201
"356766"	979.221251	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+Hac-H"	59.013851
"1501229"	519.117551	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Hac-H"	59.013851
"971327"	527.083851	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-H+NaCOOH"	66.980151
"116589"	495.073102	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+2Cl"	69.938804
"559430"	725.124952	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+2Cl"	69.938804
"1033697"	265.021252	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2Cl"	69.938804
"1256436"	539.022585	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Br"	78.918885
"1313535"	541.078572	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Cl+HCOOH"	80.974872
"1329937"	563.060529	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Cl+NaCOOH"	102.956829
"924275"	573.089286	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M-H+CF3COOH"	112.985586
"1302444"	609.065964	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Cl+CF3COOH"	148.962264
"1380604"	425.091024	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H-2H2O"	-35.012676
"1395915"	443.101	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H-H2O"	-17.0027
"295965"	921.214676	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+H"	1.007276
"689847"	1381.318376	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+H"	1.007276
"1366318"	461.110976	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H"	1.007276
"141373"	461.110976	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+2H"	2.014552
"569899"	691.162826	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+2H"	2.014552
"1046352"	231.059126	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2H"	2.014552
"219358"	307.743076	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+3H"	3.021828
"656000"	461.110976	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+3H"	3.021828
"1177044"	154.375176	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+3H"	3.021828
"435213"	938.241223	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+NH4"	18.033823
"799125"	1398.344923	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+NH4"	18.033823
"1695820"	478.137523	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+NH4"	18.033823
"340816"	469.6242495	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+H+NH4"	19.041099
"737491"	699.6760995	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+H+NH4"	19.041099
"1489245"	239.5723995	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H+NH4"	19.041099
"401361"	943.196618	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+Na"	22.989218
"765639"	1403.300318	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+Na"	22.989218
"1614831"	483.092918	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Na"	22.989218
"325963"	472.101947	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+H+Na"	23.996494
"719477"	702.153797	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+H+Na"	23.996494
"1474388"	242.050097	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H+Na"	23.996494
"1062168"	161.70249	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2H+Na"	25.00377
"1266033"	493.137186	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+CH3OH+H"	33.033486
"387898"	959.170558	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+K"	38.963158
"748894"	1419.274258	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+K"	38.963158
"1553502"	499.066858	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+K"	38.963158
"310310"	480.088917	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+H+K"	39.970434
"704192"	710.140767	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+H+K"	39.970434
"1452179"	250.037067	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H+K"	39.970434
"239685"	962.241226	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+ACN+H"	42.033826
"1216769"	502.137526	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+ACN+H"	42.033826
"1200652"	251.572401	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+ACN+2H"	43.041102
"193520"	965.17856	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+2Na-H"	44.97116
"634174"	1425.28226	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+2Na-H"	44.97116
"1138771"	505.07486	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2Na-H"	44.97116
"183531"	483.092918	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+2Na"	45.978436
"627467"	713.144768	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+2Na"	45.978436
"1129513"	253.041068	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2Na"	45.978436
"1410850"	169.029804	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H+2Na"	46.985712
"1445390"	507.116446	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H+HCOOH"	47.012746
"230474"	488.12594	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+3H2O+2H"	56.04448
"1516349"	521.16849	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+IsoProp+H"	61.06479
"418223"	491.079888	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+Na+K"	61.952376
"774844"	721.131738	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+Na+K"	61.952376
"1672267"	261.028038	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Na+K"	61.952376
"263159"	984.223168	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+ACN+Na"	64.015768
"1239148"	524.119468	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+ACN+Na"	64.015768
"1723661"	524.142993	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+NH4+HCOOH"	64.039293
"1191204"	176.357118	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+3Na"	68.967654
"1658909"	529.098388	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Na+HCOOH"	68.994688
"166864"	997.12644	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+2K-H"	76.91904
"603146"	1457.23014	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+2K-H"	76.91904
"1090940"	537.02274	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2K-H"	76.91904
"143385"	499.066858	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"2M+2K"	77.926316
"583066"	729.118708	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"3M+2K"	77.926316
"1075112"	269.015008	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2K"	77.926316
"1108322"	539.037292	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2K+H"	78.933592
"1337053"	539.124907	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+DMSO+H"	79.021207
"1009959"	543.164076	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2ACN+H"	83.060376
"1531366"	544.157708	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+IsoProp+Na+H"	84.054008
"995626"	272.085676	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+2ACN+2H"	84.067652
"1589036"	545.072328	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+K+HCOOH"	84.968628
"1414234"	575.103838	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+H+CF3COOH"	115.000138
"1147171"	292.598951	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+3ACN+2H"	125.094202
"1697049"	592.130385	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+NH4+CF3COOH"	132.026685
"1640035"	597.08578	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+Na+CF3COOH"	136.98208
"1577871"	613.05972	"C18297"	"Anhydrochlortetracycline;Anhydro-7-chlorotetracycline"	"C22H21ClN2O7"	"460.1037"	"M+K+CF3COOH"	152.95602
"811517"	476.0986	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M"	0
"983956"	457.08021	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-H2O-H"	-19.01839
"71103"	316.391790666667	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M-3H"	-3.021828
"511758"	475.091324	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M-3H"	-3.021828
"892842"	157.692257333333	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-3H"	-3.021828
"13601"	475.091324	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M-2H"	-2.014552
"453891"	713.140624	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M-2H"	-2.014552
"818213"	237.042024	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-2H"	-2.014552
"82210"	951.189924	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M-H"	-1.007276
"521780"	1427.288524	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M-H"	-1.007276
"897392"	475.091324	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-H"	-1.007276
"56144"	968.216471	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M-2H+NH4"	16.019271
"495343"	1444.315071	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M-2H+NH4"	16.019271
"876059"	492.117871	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-2H+NH4"	16.019271
"41408"	973.171866	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M-2H+Na"	20.974666
"484251"	1449.270466	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M-2H+Na"	20.974666
"852940"	497.073266	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-2H+Na"	20.974666
"1623933"	497.073266	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Na-2H"	20.974666
"105929"	493.079663	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M-H+Cl"	33.962126
"537467"	731.128963	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M-H+Cl"	33.962126
"931349"	255.030363	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-H+Cl"	33.962126
"274281"	987.166602	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+Cl"	34.969402
"664149"	1463.265202	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+Cl"	34.969402
"1277645"	511.068002	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Cl"	34.969402
"20932"	989.145806	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M-2H+K"	36.948606
"463414"	1465.244406	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M-2H+K"	36.948606
"835751"	513.047206	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-2H+K"	36.948606
"1560332"	513.047206	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+K-2H"	36.948606
"952590"	521.096794	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-H+HCOOH"	44.998194
"363515"	997.195401	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+HCOOH-H"	44.998201
"354687"	1011.211051	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+Hac-H"	59.013851
"1501339"	535.112451	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Hac-H"	59.013851
"967792"	543.078751	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-H+NaCOOH"	66.980151
"116699"	511.068002	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+2Cl"	69.938804
"559540"	749.117302	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+2Cl"	69.938804
"1034901"	273.018702	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2Cl"	69.938804
"1255937"	555.017485	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Br"	78.918885
"1313645"	557.073472	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Cl+HCOOH"	80.974872
"1330047"	579.055429	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Cl+NaCOOH"	102.956829
"924385"	589.084186	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M-H+CF3COOH"	112.985586
"1301095"	625.060864	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Cl+CF3COOH"	148.962264
"1378163"	441.085924	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H-2H2O"	-35.012676
"1395660"	459.0959	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H-H2O"	-17.0027
"294253"	953.204476	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+H"	1.007276
"688863"	1429.303076	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+H"	1.007276
"1365575"	477.105876	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H"	1.007276
"139195"	477.105876	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+2H"	2.014552
"578756"	715.155176	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+2H"	2.014552
"1051326"	239.056576	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2H"	2.014552
"218010"	318.406342666667	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+3H"	3.021828
"657934"	477.105876	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+3H"	3.021828
"1175697"	159.706809333333	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+3H"	3.021828
"435323"	970.231023	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+NH4"	18.033823
"797412"	1446.329623	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+NH4"	18.033823
"1691555"	494.132423	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+NH4"	18.033823
"340925"	485.6191495	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+H+NH4"	19.041099
"736629"	723.6684495	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+H+NH4"	19.041099
"1488260"	247.5698495	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H+NH4"	19.041099
"403660"	975.186418	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+Na"	22.989218
"763562"	1451.285018	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+Na"	22.989218
"1614941"	499.087818	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Na"	22.989218
"325709"	488.096847	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+H+Na"	23.996494
"719225"	726.146147	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+H+Na"	23.996494
"1471218"	250.047547	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H+Na"	23.996494
"1062278"	167.034123333333	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2H+Na"	25.00377
"1260675"	509.132086	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+CH3OH+H"	33.033486
"383635"	991.160358	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+K"	38.963158
"749004"	1467.258958	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+K"	38.963158
"1553974"	515.061758	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+K"	38.963158
"307139"	496.083817	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+H+K"	39.970434
"697376"	734.133117	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+H+K"	39.970434
"1453382"	258.034517	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H+K"	39.970434
"240889"	994.231026	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+ACN+H"	42.033826
"1214692"	518.132426	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+ACN+H"	42.033826
"1197845"	259.569851	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+ACN+2H"	43.041102
"194723"	997.16836	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+2Na-H"	44.97116
"635376"	1473.26696	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+2Na-H"	44.97116
"1138881"	521.06976	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2Na-H"	44.97116
"186800"	499.087818	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+2Na"	45.978436
"627820"	737.137118	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+2Na"	45.978436
"1129259"	261.038518	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2Na"	45.978436
"1404398"	174.361437333333	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H+2Na"	46.985712
"1441983"	523.111346	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H+HCOOH"	47.012746
"230584"	504.12084	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+3H2O+2H"	56.04448
"1517552"	537.16339	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+IsoProp+H"	61.06479
"418332"	507.074788	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+Na+K"	61.952376
"780421"	745.124088	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+Na+K"	61.952376
"1677845"	269.025488	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Na+K"	61.952376
"266674"	1016.212968	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+ACN+Na"	64.015768
"1239258"	540.114368	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+ACN+Na"	64.015768
"1725959"	540.137893	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+NH4+HCOOH"	64.039293
"1192776"	181.688751333333	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+3Na"	68.967654
"1664366"	545.093288	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Na+HCOOH"	68.994688
"170258"	1029.11624	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+2K-H"	76.91904
"609816"	1505.21484	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+2K-H"	76.91904
"1094331"	553.01764	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2K-H"	76.91904
"144589"	515.061758	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"2M+2K"	77.926316
"588521"	753.111058	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"3M+2K"	77.926316
"1076314"	277.012458	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2K"	77.926316
"1107338"	555.032192	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2K+H"	78.933592
"1338255"	555.119807	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+DMSO+H"	79.021207
"1010068"	559.158976	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2ACN+H"	83.060376
"1531471"	560.152608	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+IsoProp+Na+H"	84.054008
"1000106"	280.083126	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+2ACN+2H"	84.067652
"1591331"	561.067228	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+K+HCOOH"	84.968628
"1419177"	591.098738	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+H+CF3COOH"	115.000138
"1150562"	300.596401	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+3ACN+2H"	125.094202
"1697437"	608.125285	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+NH4+CF3COOH"	132.026685
"1637954"	613.08068	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+Na+CF3COOH"	136.98208
"1571783"	629.05462	"C18298"	"5a11a-Dehydrochlortetracycline;Dehydrochlortetracycline;5a11a-Dehydro-7-chlorotetracycline"	"C22H21ClN2O8"	"476.0986"	"M+K+CF3COOH"	152.95602
"817068"	432.0724	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M"	0
"986255"	413.05401	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-H2O-H"	-19.01839
"76321"	287.040990666667	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M-3H"	-3.021828
"516245"	431.065124	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M-3H"	-3.021828
"890766"	143.016857333333	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-3H"	-3.021828
"12620"	431.065124	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M-2H"	-2.014552
"451085"	647.101324	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M-2H"	-2.014552
"823427"	215.028924	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-2H"	-2.014552
"85605"	863.137524	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M-H"	-1.007276
"525170"	1295.209924	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M-H"	-1.007276
"910147"	431.065124	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-H"	-1.007276
"55162"	880.164071	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M-2H+NH4"	16.019271
"498733"	1312.236471	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M-2H+NH4"	16.019271
"873619"	448.091671	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-2H+NH4"	16.019271
"41520"	885.119466	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M-2H+Na"	20.974666
"486753"	1317.191866	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M-2H+Na"	20.974666
"863016"	453.047066	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-2H+Na"	20.974666
"1632792"	453.047066	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Na-2H"	20.974666
"104947"	449.053463	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M-H+Cl"	33.962126
"542320"	665.089663	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M-H+Cl"	33.962126
"930730"	233.017263	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-H+Cl"	33.962126
"272567"	899.114202	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+Cl"	34.969402
"663894"	1331.186602	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+Cl"	34.969402
"1278849"	467.041802	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Cl"	34.969402
"18496"	901.093406	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M-2H+K"	36.948606
"463527"	1333.165806	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M-2H+K"	36.948606
"842425"	469.021006	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-2H+K"	36.948606
"1558258"	469.021006	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+K-2H"	36.948606
"943955"	477.070594	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-H+HCOOH"	44.998194
"368729"	909.143001	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+HCOOH-H"	44.998201
"353705"	923.158651	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+Hac-H"	59.013851
"1499262"	491.086251	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Hac-H"	59.013851
"965714"	499.052551	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-H+NaCOOH"	66.980151
"117901"	467.041802	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+2Cl"	69.938804
"557465"	683.078002	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+2Cl"	69.938804
"1030639"	251.005602	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2Cl"	69.938804
"1248032"	510.991285	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Br"	78.918885
"1315581"	513.047272	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Cl+HCOOH"	80.974872
"1329070"	535.029229	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Cl+NaCOOH"	102.956829
"920122"	545.057986	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M-H+CF3COOH"	112.985586
"1301573"	581.034664	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Cl+CF3COOH"	148.962264
"1380460"	397.059724	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H-2H2O"	-35.012676
"1395772"	415.0697	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H-H2O"	-17.0027
"297643"	865.152076	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+H"	1.007276
"688974"	1297.224476	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+H"	1.007276
"1365320"	433.079676	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H"	1.007276
"134931"	433.079676	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+2H"	2.014552
"579230"	649.115876	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+2H"	2.014552
"1050220"	217.043476	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2H"	2.014552
"214840"	289.055542666667	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+3H"	3.021828
"656221"	433.079676	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+3H"	3.021828
"1171067"	145.031409333333	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+3H"	3.021828
"434339"	882.178623	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+NH4"	18.033823
"796428"	1314.251023	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+NH4"	18.033823
"1692759"	450.106223	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+NH4"	18.033823
"338851"	441.5929495	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+H+NH4"	19.041099
"733459"	657.6291495	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+H+NH4"	19.041099
"1489467"	225.5567495	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H+NH4"	19.041099
"400491"	887.134018	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+Na"	22.989218
"764766"	1319.206418	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+Na"	22.989218
"1612866"	455.061618	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Na"	22.989218
"323995"	444.070647	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+H+Na"	23.996494
"719696"	660.106847	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+H+Na"	23.996494
"1474974"	228.034447	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H+Na"	23.996494
"1063482"	152.358723333333	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2H+Na"	25.00377
"1261883"	465.105886	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+CH3OH+H"	33.033486
"387019"	903.107958	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+K"	38.963158
"745827"	1335.180358	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+K"	38.963158
"1553345"	471.035558	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+K"	38.963158
"301781"	452.057617	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+H+K"	39.970434
"701859"	668.093817	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+H+K"	39.970434
"1450212"	236.021417	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H+K"	39.970434
"242095"	906.178626	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+ACN+H"	42.033826
"1220271"	474.106226	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+ACN+H"	42.033826
"1199413"	237.556751	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+ACN+2H"	43.041102
"198111"	909.11596	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+2Na-H"	44.97116
"636945"	1341.18836	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+2Na-H"	44.97116
"1137174"	477.04356	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2Na-H"	44.97116
"188011"	455.061618	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+2Na"	45.978436
"627452"	671.097818	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+2Na"	45.978436
"1129739"	239.025418	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2Na"	45.978436
"1407788"	159.686037333333	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H+2Na"	46.985712
"1443557"	479.085146	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H+HCOOH"	47.012746
"233615"	460.09464	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+3H2O+2H"	56.04448
"1521678"	493.13719	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+IsoProp+H"	61.06479
"415165"	463.048588	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+Na+K"	61.952376
"779440"	679.084788	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+Na+K"	61.952376
"1673584"	247.012388	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Na+K"	61.952376
"262289"	928.160568	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+ACN+Na"	64.015768
"1239738"	496.088168	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+ACN+Na"	64.015768
"1724977"	496.111693	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+NH4+HCOOH"	64.039293
"1190332"	167.013351333333	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+3Na"	68.967654
"1664235"	501.067088	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Na+HCOOH"	68.994688
"168180"	941.06384	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+2K-H"	76.91904
"607741"	1373.13624	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+2K-H"	76.91904
"1093347"	508.99144	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2K-H"	76.91904
"153446"	471.035558	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"2M+2K"	77.926316
"582802"	687.071758	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"3M+2K"	77.926316
"1072052"	254.999358	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2K"	77.926316
"1103078"	511.005992	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2K+H"	78.933592
"1338370"	511.093607	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+DMSO+H"	79.021207
"1012366"	515.132776	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2ACN+H"	83.060376
"1531586"	516.126408	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+IsoProp+Na+H"	84.054008
"993659"	258.070026	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+2ACN+2H"	84.067652
"1590349"	517.041028	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+K+HCOOH"	84.968628
"1422572"	547.072538	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+H+CF3COOH"	115.000138
"1155047"	278.583301	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+3ACN+2H"	125.094202
"1705692"	564.099085	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+NH4+CF3COOH"	132.026685
"1638065"	569.05448	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+Na+CF3COOH"	136.98208
"1574078"	585.02842	"C18299"	"4-Aminoanhydrochlortetracycline;4-Aminoanhydro-7-chlorotetracycline"	"C20H17ClN2O7"	"432.0724"	"M+K+CF3COOH"	152.95602
"808458"	159.9847	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M"	0
"979802"	140.96631	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-H2O-H"	-19.01839
"71325"	105.649190666667	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M-3H"	-3.021828
"508700"	158.977424	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M-3H"	-3.021828
"889781"	52.3209573333333	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-3H"	-3.021828
"7263"	158.977424	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M-2H"	-2.014552
"445731"	238.969774	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M-2H"	-2.014552
"823539"	78.985074	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-2H"	-2.014552
"87907"	318.962124	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M-H"	-1.007276
"530749"	478.946824	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M-H"	-1.007276
"906365"	158.977424	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-H"	-1.007276
"60741"	335.988671	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M-2H+NH4"	16.019271
"501640"	495.973371	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M-2H+NH4"	16.019271
"879322"	176.003971	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-2H+NH4"	16.019271
"44911"	340.944066	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M-2H+Na"	20.974666
"484474"	500.928766	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M-2H+Na"	20.974666
"861183"	180.959366	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-2H+Na"	20.974666
"1627434"	180.959366	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Na-2H"	20.974666
"107249"	176.965763	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M-H+Cl"	33.962126
"548265"	256.958113	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M-H+Cl"	33.962126
"940930"	96.973413	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-H+Cl"	33.962126
"276690"	354.938802	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+Cl"	34.969402
"673122"	514.923502	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+Cl"	34.969402
"1278240"	194.954102	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Cl"	34.969402
"24078"	356.918006	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M-2H+K"	36.948606
"463640"	516.902706	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M-2H+K"	36.948606
"837069"	196.933306	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-2H+K"	36.948606
"1558370"	196.933306	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+K-2H"	36.948606
"947345"	204.982894	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-H+HCOOH"	44.998194
"368839"	364.967601	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+HCOOH-H"	44.998201
"356009"	378.983251	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+Hac-H"	59.013851
"1496458"	218.998551	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Hac-H"	59.013851
"965824"	226.964851	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-H+NaCOOH"	66.980151
"116920"	194.954102	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+2Cl"	69.938804
"563043"	274.946452	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+2Cl"	69.938804
"1031842"	114.961752	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2Cl"	69.938804
"1250328"	238.903585	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Br"	78.918885
"1317148"	240.959572	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Cl+HCOOH"	80.974872
"1335255"	262.941529	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Cl+NaCOOH"	102.956829
"925706"	272.970286	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M-H+CF3COOH"	112.985586
"1301317"	308.946964	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Cl+CF3COOH"	148.962264
"1380208"	124.972024	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H-2H2O"	-35.012676
"1396247"	142.982	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H-H2O"	-17.0027
"297025"	320.976676	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+H"	1.007276
"689082"	480.961376	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+H"	1.007276
"1364339"	160.991976	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H"	1.007276
"136134"	160.991976	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+2H"	2.014552
"573873"	240.984326	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+2H"	2.014552
"1049234"	80.999626	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2H"	2.014552
"216770"	107.663742666667	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+3H"	3.021828
"655236"	160.991976	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+3H"	3.021828
"1172268"	54.3355093333333	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+3H"	3.021828
"436637"	338.003223	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+NH4"	18.033823
"794351"	497.987923	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+NH4"	18.033823
"1692504"	178.018523	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+NH4"	18.033823
"338959"	169.5052495	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+H+NH4"	19.041099
"734300"	249.4975995	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+H+NH4"	19.041099
"1491401"	89.5128995	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H+NH4"	19.041099
"404977"	342.958618	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+Na"	22.989218
"765971"	502.943318	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+Na"	22.989218
"1612977"	182.973918	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Na"	22.989218
"329208"	171.982947	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+H+Na"	23.996494
"719806"	251.975297	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+H+Na"	23.996494
"1469252"	91.990597	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H+Na"	23.996494
"1061407"	61.6628233333333	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2H+Na"	25.00377
"1258106"	193.018186	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+CH3OH+H"	33.033486
"377773"	358.932558	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+K"	38.963158
"742658"	518.917258	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+K"	38.963158
"1551277"	198.947858	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+K"	38.963158
"306267"	179.969917	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+H+K"	39.970434
"700875"	259.962267	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+H+K"	39.970434
"1451414"	99.977567	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H+K"	39.970434
"242201"	362.003226	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+ACN+H"	42.033826
"1214546"	202.018526	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+ACN+H"	42.033826
"1200615"	101.512901	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+ACN+2H"	43.041102
"199315"	364.94056	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+2Na-H"	44.97116
"637782"	524.92526	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+2Na-H"	44.97116
"1146405"	204.95586	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2Na-H"	44.97116
"188078"	182.973918	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+2Na"	45.978436
"628202"	262.966268	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+2Na"	45.978436
"1130453"	102.981568	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2Na"	45.978436
"1413822"	68.9901373333333	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H+2Na"	46.985712
"1443667"	206.997446	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H+HCOOH"	47.012746
"231901"	188.00694	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+3H2O+2H"	56.04448
"1521055"	221.04949	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+IsoProp+H"	61.06479
"421834"	190.960888	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+Na+K"	61.952376
"779549"	270.953238	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+Na+K"	61.952376
"1674787"	110.968538	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Na+K"	61.952376
"260212"	383.985168	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+ACN+Na"	64.015768
"1235107"	224.000468	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+ACN+Na"	64.015768
"1725819"	224.023993	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+NH4+HCOOH"	64.039293
"1192628"	76.3174513333333	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+3Na"	68.967654
"1662522"	228.979388	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Na+HCOOH"	68.994688
"166104"	396.88844	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+2K-H"	76.91904
"606760"	556.87314	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+2K-H"	76.91904
"1093459"	236.90374	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2K-H"	76.91904
"144813"	198.947858	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"2M+2K"	77.926316
"582550"	278.940208	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"3M+2K"	77.926316
"1070706"	118.955508	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2K"	77.926316
"1102456"	238.918292	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2K+H"	78.933592
"1339572"	239.005907	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+DMSO+H"	79.021207
"1009195"	243.045076	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2ACN+H"	83.060376
"1526227"	244.038708	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+IsoProp+Na+H"	84.054008
"992677"	122.026176	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+2ACN+2H"	84.067652
"1590460"	244.953328	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+K+HCOOH"	84.968628
"1416117"	274.984838	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+H+CF3COOH"	115.000138
"1150055"	142.539451	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+3ACN+2H"	125.094202
"1703616"	292.011385	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+NH4+CF3COOH"	132.026685
"1637079"	296.96678	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+Na+CF3COOH"	136.98208
"1574916"	312.94072	"C18300"	"24-Dichlorotoluene"	"C7H6Cl2"	"159.9847"	"M+K+CF3COOH"	152.95602
"811848"	193.9901	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M"	0
"982100"	174.97171	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-H2O-H"	-19.01839
"71436"	128.319457333333	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M-3H"	-3.021828
"508811"	192.982824	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M-3H"	-3.021828
"889891"	63.6560906666667	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-3H"	-3.021828
"12843"	192.982824	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M-2H"	-2.014552
"443654"	289.977874	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M-2H"	-2.014552
"824742"	95.987774	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-2H"	-2.014552
"94140"	386.972924	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M-H"	-1.007276
"531834"	580.963024	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M-H"	-1.007276
"909636"	192.982824	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-H"	-1.007276
"60852"	403.999471	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M-2H+NH4"	16.019271
"501264"	597.989571	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M-2H+NH4"	16.019271
"879188"	210.009371	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-2H+NH4"	16.019271
"44900"	408.954866	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M-2H+Na"	20.974666
"482399"	602.944966	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M-2H+Na"	20.974666
"860199"	214.964766	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-2H+Na"	20.974666
"1627544"	214.964766	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Na-2H"	20.974666
"106265"	210.971163	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M-H+Cl"	33.962126
"548010"	307.966213	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M-H+Cl"	33.962126
"941525"	113.976113	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-H+Cl"	33.962126
"276800"	422.949602	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+Cl"	34.969402
"664480"	616.939702	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+Cl"	34.969402
"1278350"	228.959502	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Cl"	34.969402
"18719"	424.928806	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M-2H+K"	36.948606
"462657"	618.918906	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M-2H+K"	36.948606
"834383"	230.938706	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-2H+K"	36.948606
"1559571"	230.938706	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+K-2H"	36.948606
"947455"	238.988294	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-H+HCOOH"	44.998194
"367857"	432.978401	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+HCOOH-H"	44.998201
"353931"	446.994051	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+Hac-H"	59.013851
"1496932"	253.003951	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Hac-H"	59.013851
"962654"	260.970251	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-H+NaCOOH"	66.980151
"117029"	228.959502	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+2Cl"	69.938804
"563153"	325.954552	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+2Cl"	69.938804
"1033046"	131.964452	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2Cl"	69.938804
"1250437"	272.908985	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Br"	78.918885
"1312886"	274.964972	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Cl+HCOOH"	80.974872
"1332564"	296.946929	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Cl+NaCOOH"	102.956829
"924718"	306.975686	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M-H+CF3COOH"	112.985586
"1300336"	342.952364	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Cl+CF3COOH"	148.962264
"1378496"	158.977424	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H-2H2O"	-35.012676
"1396357"	176.9874	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H-H2O"	-17.0027
"294222"	388.987476	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+H"	1.007276
"688098"	582.977576	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+H"	1.007276
"1364448"	194.997376	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H"	1.007276
"137703"	194.997376	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+2H"	2.014552
"569245"	291.992426	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+2H"	2.014552
"1050074"	98.002326	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2H"	2.014552
"210321"	130.334009333333	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+3H"	3.021828
"656441"	194.997376	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+3H"	3.021828
"1168371"	65.6706426666667	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+3H"	3.021828
"436382"	406.014023	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+NH4"	18.033823
"795554"	600.004123	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+NH4"	18.033823
"1688604"	212.023923	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+NH4"	18.033823
"341259"	203.5106495	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+H+NH4"	19.041099
"735868"	300.5056995	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+H+NH4"	19.041099
"1486408"	106.5155995	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H+NH4"	19.041099
"402899"	410.969418	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+Na"	22.989218
"762799"	604.959518	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+Na"	22.989218
"1615272"	216.979318	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Na"	22.989218
"325309"	205.988347	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+H+Na"	23.996494
"717727"	302.983397	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+H+Na"	23.996494
"1467176"	108.993297	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H+Na"	23.996494
"1061518"	72.9979566666667	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2H+Na"	25.00377
"1266479"	227.023586	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+CH3OH+H"	33.033486
"379584"	426.943358	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+K"	38.963158
"741674"	620.933458	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+K"	38.963158
"1551387"	232.953258	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+K"	38.963158
"305284"	213.975317	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+H+K"	39.970434
"704265"	310.970367	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+H+K"	39.970434
"1450431"	116.980267	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H+K"	39.970434
"243404"	430.014026	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+ACN+H"	42.033826
"1216114"	236.023926	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+ACN+H"	42.033826
"1201090"	118.515601	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+ACN+2H"	43.041102
"198334"	432.95136	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+2Na-H"	44.97116
"637165"	626.94146	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+2Na-H"	44.97116
"1146396"	238.96126	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2Na-H"	44.97116
"187375"	216.979318	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+2Na"	45.978436
"627789"	313.974368	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+2Na"	45.978436
"1127767"	119.984268	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2Na"	45.978436
"1412265"	80.3252706666667	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H+2Na"	46.985712
"1444505"	241.002846	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H+HCOOH"	47.012746
"230918"	222.01234	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+3H2O+2H"	56.04448
"1522868"	255.05489	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+IsoProp+H"	61.06479
"422309"	224.966288	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+Na+K"	61.952376
"781845"	321.961338	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+Na+K"	61.952376
"1675990"	127.971238	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Na+K"	61.952376
"260322"	451.995968	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+ACN+Na"	64.015768
"1237404"	258.005868	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+ACN+Na"	64.015768
"1726660"	258.029393	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+NH4+HCOOH"	64.039293
"1192011"	87.6525846666667	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+3Na"	68.967654
"1662268"	262.984788	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Na+HCOOH"	68.994688
"166215"	464.89924	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+2K-H"	76.91904
"607599"	658.88934	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+2K-H"	76.91904
"1093567"	270.90914	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2K-H"	76.91904
"144923"	232.953258	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"2M+2K"	77.926316
"582538"	329.948308	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"3M+2K"	77.926316
"1070088"	135.958208	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2K"	77.926316
"1102202"	272.923692	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2K+H"	78.933592
"1338590"	273.011307	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+DMSO+H"	79.021207
"1011493"	277.050476	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2ACN+H"	83.060376
"1527430"	278.044108	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+IsoProp+Na+H"	84.054008
"993880"	139.028876	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+2ACN+2H"	84.067652
"1594946"	278.958728	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+K+HCOOH"	84.968628
"1417687"	308.990238	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+H+CF3COOH"	115.000138
"1150894"	159.542151	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+3ACN+2H"	125.094202
"1703726"	326.016785	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+NH4+CF3COOH"	132.026685
"1637189"	330.97218	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+Na+CF3COOH"	136.98208
"1572479"	346.94612	"C18301"	"46-Dichloro-3-methyl-cis-12-dihydroxycyclohexa-35-diene"	"C7H8Cl2O2"	"193.9901"	"M+K+CF3COOH"	152.95602
"811958"	191.9745	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M"	0
"984397"	172.95611	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-H2O-H"	-19.01839
"77013"	126.975724	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M-3H"	-3.021828
"511108"	190.967224	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M-3H"	-3.021828
"890001"	62.984224	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-3H"	-3.021828
"13318"	190.967224	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M-2H"	-2.014552
"442670"	286.954474	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M-2H"	-2.014552
"827039"	94.979974	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-2H"	-2.014552
"93969"	382.941724	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M-H"	-1.007276
"533607"	574.916224	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M-H"	-1.007276
"910601"	190.967224	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-H"	-1.007276
"60962"	399.968271	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M-2H+NH4"	16.019271
"500523"	591.942771	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M-2H+NH4"	16.019271
"876139"	207.993771	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-2H+NH4"	16.019271
"41851"	404.923666	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M-2H+Na"	20.974666
"479227"	596.898166	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M-2H+Na"	20.974666
"853748"	212.949166	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-2H+Na"	20.974666
"1621090"	212.949166	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Na-2H"	20.974666
"106372"	208.955563	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M-H+Cl"	33.962126
"544838"	304.942813	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M-H+Cl"	33.962126
"939448"	112.968313	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-H+Cl"	33.962126
"278004"	418.918402	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+Cl"	34.969402
"662402"	610.892902	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+Cl"	34.969402
"1281740"	226.943902	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Cl"	34.969402
"24296"	420.897606	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M-2H+K"	36.948606
"463860"	612.872106	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M-2H+K"	36.948606
"836195"	228.923106	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-2H+K"	36.948606
"1561869"	228.923106	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+K-2H"	36.948606
"947565"	236.972694	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-H+HCOOH"	44.998194
"374164"	428.947201	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+HCOOH-H"	44.998201
"351853"	442.962851	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+Hac-H"	59.013851
"1497411"	250.988351	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Hac-H"	59.013851
"962764"	258.954651	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-H+NaCOOH"	66.980151
"113858"	226.943902	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+2Cl"	69.938804
"557794"	322.931152	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+2Cl"	69.938804
"1030969"	130.956652	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2Cl"	69.938804
"1250547"	270.893385	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Br"	78.918885
"1312996"	272.949372	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Cl+HCOOH"	80.974872
"1333769"	294.931329	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Cl+NaCOOH"	102.956829
"921551"	304.960086	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M-H+CF3COOH"	112.985586
"1300446"	340.936764	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Cl+CF3COOH"	148.962264
"1379702"	156.961824	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H-2H2O"	-35.012676
"1396102"	174.9718	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H-H2O"	-17.0027
"294696"	384.956276	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+H"	1.007276
"689669"	576.930776	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+H"	1.007276
"1364564"	192.981776	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H"	1.007276
"139636"	192.981776	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+2H"	2.014552
"572637"	288.969026	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+2H"	2.014552
"1047996"	96.994526	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2H"	2.014552
"212618"	128.990276	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+3H"	3.021828
"657645"	192.981776	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+3H"	3.021828
"1170304"	64.998776	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+3H"	3.021828
"436859"	401.982823	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+NH4"	18.033823
"798948"	593.957323	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+NH4"	18.033823
"1694549"	210.008323	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+NH4"	18.033823
"343192"	201.4950495	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+H+NH4"	19.041099
"735975"	297.4822995	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+H+NH4"	19.041099
"1488704"	105.5077995	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H+NH4"	19.041099
"401918"	406.938218	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+Na"	22.989218
"764005"	598.912718	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+Na"	22.989218
"1612102"	214.963718	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Na"	22.989218
"327727"	203.972747	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+H+Na"	23.996494
"718928"	299.959997	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+H+Na"	23.996494
"1469474"	107.985497	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H+Na"	23.996494
"1058348"	72.32609	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2H+Na"	25.00377
"1265496"	225.007986	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+CH3OH+H"	33.033486
"379693"	422.912158	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+K"	38.963158
"751261"	614.886658	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+K"	38.963158
"1542746"	230.937658	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+K"	38.963158
"304297"	211.959717	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+H+K"	39.970434
"695624"	307.946967	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+H+K"	39.970434
"1458192"	115.972467	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H+K"	39.970434
"249955"	425.982826	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+ACN+H"	42.033826
"1218409"	234.008326	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+ACN+H"	42.033826
"1202294"	117.507801	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+ACN+2H"	43.041102
"200270"	428.92016	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+2Na-H"	44.97116
"635815"	620.89466	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+2Na-H"	44.97116
"1146019"	236.94566	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2Na-H"	44.97116
"187368"	214.963718	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+2Na"	45.978436
"627536"	310.950968	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+2Na"	45.978436
"1127877"	118.976468	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2Na"	45.978436
"1413842"	79.653404	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H+2Na"	46.985712
"1444252"	238.987246	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H+HCOOH"	47.012746
"232121"	219.99674	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+3H2O+2H"	56.04448
"1522735"	253.03929	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+IsoProp+H"	61.06479
"423028"	222.950688	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+Na+K"	61.952376
"781956"	318.937938	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+Na+K"	61.952376
"1678286"	126.963438	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Na+K"	61.952376
"261526"	447.964768	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+ACN+Na"	64.015768
"1238245"	255.990268	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+ACN+Na"	64.015768
"1725314"	256.013793	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+NH4+HCOOH"	64.039293
"1190666"	86.980718	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+3Na"	68.967654
"1660923"	260.969188	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Na+HCOOH"	68.994688
"165233"	460.86804	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+2K-H"	76.91904
"604430"	652.84254	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+2K-H"	76.91904
"1094770"	268.89354	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2K-H"	76.91904
"146121"	230.937658	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"2M+2K"	77.926316
"584590"	326.924908	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"3M+2K"	77.926316
"1074570"	134.950408	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2K"	77.926316
"1104499"	270.908092	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2K+H"	78.933592
"1339793"	270.995707	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+DMSO+H"	79.021207
"1009415"	275.034876	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2ACN+H"	83.060376
"1526446"	276.028508	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+IsoProp+Na+H"	84.054008
"993987"	138.021076	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+2ACN+2H"	84.067652
"1590678"	276.943128	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+K+HCOOH"	84.968628
"1416336"	306.974638	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+H+CF3COOH"	115.000138
"1149911"	158.534351	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+3ACN+2H"	125.094202
"1700556"	324.001185	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+NH4+CF3COOH"	132.026685
"1636206"	328.95658	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+Na+CF3COOH"	136.98208
"1572589"	344.93052	"C18302"	"46-Dichloro-3-methylcatechol"	"C7H6Cl2O2"	"191.9745"	"M+K+CF3COOH"	152.95602
"810975"	223.9643	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M"	0
"982320"	204.94591	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-H2O-H"	-19.01839
"73844"	148.302257333333	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M-3H"	-3.021828
"514499"	222.957024	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M-3H"	-3.021828
"890112"	73.6474906666667	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-3H"	-3.021828
"11968"	222.957024	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M-2H"	-2.014552
"446060"	334.939174	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M-2H"	-2.014552
"826056"	110.974874	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-2H"	-2.014552
"93469"	446.921324	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M-H"	-1.007276
"533152"	670.885624	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M-H"	-1.007276
"908885"	222.957024	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-H"	-1.007276
"61072"	463.947871	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M-2H+NH4"	16.019271
"501120"	687.912171	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M-2H+NH4"	16.019271
"877344"	239.983571	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-2H+NH4"	16.019271
"41961"	468.903266	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M-2H+Na"	20.974666
"479337"	692.867566	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M-2H+Na"	20.974666
"853858"	244.938966	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-2H+Na"	20.974666
"1620837"	244.938966	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Na-2H"	20.974666
"97000"	240.945363	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M-H+Cl"	33.962126
"544948"	352.927513	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M-H+Cl"	33.962126
"937372"	128.963213	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-H+Cl"	33.962126
"275928"	482.898002	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+Cl"	34.969402
"662878"	706.862302	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+Cl"	34.969402
"1279664"	258.933702	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Cl"	34.969402
"23313"	484.877206	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M-2H+K"	36.948606
"462877"	708.841506	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M-2H+K"	36.948606
"836305"	260.912906	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-2H+K"	36.948606
"1561979"	260.912906	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+K-2H"	36.948606
"944395"	268.962494	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-H+HCOOH"	44.998194
"372449"	492.926801	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+HCOOH-H"	44.998201
"351963"	506.942451	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+Hac-H"	59.013851
"1496426"	282.978151	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Hac-H"	59.013851
"963967"	290.944451	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-H+NaCOOH"	66.980151
"115061"	258.933702	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+2Cl"	69.938804
"558997"	370.915852	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+2Cl"	69.938804
"1032172"	146.951552	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2Cl"	69.938804
"1249565"	302.883185	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Br"	78.918885
"1314201"	304.939172	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Cl+HCOOH"	80.974872
"1330602"	326.921129	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Cl+NaCOOH"	102.956829
"922755"	336.949886	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M-H+CF3COOH"	112.985586
"1300557"	372.926564	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Cl+CF3COOH"	148.962264
"1380541"	188.951624	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H-2H2O"	-35.012676
"1396211"	206.9616	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H-H2O"	-17.0027
"294807"	448.935876	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+H"	1.007276
"689414"	672.900176	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+H"	1.007276
"1364670"	224.971576	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H"	1.007276
"139382"	224.971576	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+2H"	2.014552
"578218"	336.953726	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+2H"	2.014552
"1042638"	112.989426	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2H"	2.014552
"209449"	150.316809333333	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+3H"	3.021828
"653383"	224.971576	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+3H"	3.021828
"1174787"	75.6620426666667	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+3H"	3.021828
"436969"	465.962423	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+NH4"	18.033823
"794681"	689.926723	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+NH4"	18.033823
"1693200"	241.998123	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+NH4"	18.033823
"344759"	233.4848495	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+H+NH4"	19.041099
"737180"	345.4669995	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+H+NH4"	19.041099
"1488814"	121.5026995	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H+NH4"	19.041099
"404944"	470.917818	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+Na"	22.989218
"764114"	694.882118	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+Na"	22.989218
"1613305"	246.953518	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Na"	22.989218
"326619"	235.962547	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+H+Na"	23.996494
"716853"	347.944697	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+H+Na"	23.996494
"1469584"	123.980397	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H+Na"	23.996494
"1061737"	82.9893566666667	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2H+Na"	25.00377
"1266697"	256.997786	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+CH3OH+H"	33.033486
"385276"	486.891758	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+K"	38.963158
"749548"	710.856058	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+K"	38.963158
"1543951"	262.927458	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+K"	38.963158
"305501"	243.949517	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+H+K"	39.970434
"702296"	355.931667	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+H+K"	39.970434
"1456116"	131.967367	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H+K"	39.970434
"247633"	489.962426	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+ACN+H"	42.033826
"1216334"	265.998126	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+ACN+H"	42.033826
"1202406"	133.502701	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+ACN+2H"	43.041102
"199649"	492.89976	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+2Na-H"	44.97116
"637021"	716.86406	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+2Na-H"	44.97116
"1145889"	268.93546	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2Na-H"	44.97116
"187842"	246.953518	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+2Na"	45.978436
"627646"	358.935668	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+2Na"	45.978436
"1127987"	134.971368	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2Na"	45.978436
"1413339"	90.3166706666667	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H+2Na"	46.985712
"1443388"	270.977046	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H+HCOOH"	47.012746
"228951"	251.98654	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+3H2O+2H"	56.04448
"1520291"	285.02909	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+IsoProp+H"	61.06479
"423018"	254.940488	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+Na+K"	61.952376
"783525"	366.922638	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+Na+K"	61.952376
"1678398"	142.958338	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Na+K"	61.952376
"263460"	511.944368	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+ACN+Na"	64.015768
"1238718"	287.980068	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+ACN+Na"	64.015768
"1725788"	288.003593	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+NH4+HCOOH"	64.039293
"1191506"	97.6439846666667	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+3Na"	68.967654
"1661032"	292.958988	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Na+HCOOH"	68.994688
"166435"	524.84764	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+2K-H"	76.91904
"606362"	748.81194	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+2K-H"	76.91904
"1092694"	300.88334	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2K-H"	76.91904
"146231"	262.927458	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"2M+2K"	77.926316
"583120"	374.909608	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"3M+2K"	77.926316
"1072495"	150.945308	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2K"	77.926316
"1103880"	302.897892	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2K+H"	78.933592
"1337717"	302.985507	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+DMSO+H"	79.021207
"1010620"	307.024676	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2ACN+H"	83.060376
"1527650"	308.018308	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+IsoProp+Na+H"	84.054008
"994099"	154.015976	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+2ACN+2H"	84.067652
"1588602"	308.932928	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+K+HCOOH"	84.968628
"1415718"	338.964438	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+H+CF3COOH"	115.000138
"1150021"	174.529251	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+3ACN+2H"	125.094202
"1700666"	355.990985	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+NH4+CF3COOH"	132.026685
"1638503"	360.94638	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+Na+CF3COOH"	136.98208
"1572699"	376.92032	"C18303"	"35-Dichloro-2-methylmuconate"	"C7H6Cl2O4"	"223.9643"	"M+K+CF3COOH"	152.95602
"812178"	187.9876	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M"	0
"975869"	168.96921	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-H2O-H"	-19.01839
"73954"	124.317790666667	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M-3H"	-3.021828
"512420"	186.980324	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M-3H"	-3.021828
"886941"	61.6552573333333	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-3H"	-3.021828
"11714"	186.980324	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H"	-2.014552
"445078"	280.974124	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H"	-2.014552
"826166"	92.986524	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-2H"	-2.014552
"88348"	374.967924	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M-H"	-1.007276
"532284"	562.955524	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M-H"	-1.007276
"909964"	186.980324	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-H"	-1.007276
"56076"	391.994471	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H+NH4"	16.019271
"501713"	579.982071	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H+NH4"	16.019271
"877450"	204.006871	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-2H+NH4"	16.019271
"42071"	396.949866	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H+Na"	20.974666
"479447"	584.937466	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H+Na"	20.974666
"852509"	208.962266	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-2H+Na"	20.974666
"1620947"	208.962266	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Na-2H"	20.974666
"97475"	204.968663	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M-H+Cl"	33.962126
"545057"	298.962463	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M-H+Cl"	33.962126
"937480"	110.974863	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-H+Cl"	33.962126
"278224"	410.944602	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+Cl"	34.969402
"662988"	598.932202	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+Cl"	34.969402
"1279774"	222.957002	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl"	34.969402
"20142"	412.923806	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H+K"	36.948606
"460800"	600.911406	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H+K"	36.948606
"834228"	224.936206	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-2H+K"	36.948606
"1559902"	224.936206	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+K-2H"	36.948606
"945598"	232.985794	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-H+HCOOH"	44.998194
"371466"	420.973401	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+HCOOH-H"	44.998201
"349886"	434.989051	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+Hac-H"	59.013851
"1495806"	247.001451	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Hac-H"	59.013851
"965169"	254.967751	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-H+NaCOOH"	66.980151
"114078"	222.957002	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+2Cl"	69.938804
"558014"	316.950802	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+2Cl"	69.938804
"1028999"	128.963202	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2Cl"	69.938804
"1252952"	266.906485	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Br"	78.918885
"1316494"	268.962472	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl+HCOOH"	80.974872
"1333626"	290.944429	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl+NaCOOH"	102.956829
"922864"	300.973186	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M-H+CF3COOH"	112.985586
"1300303"	336.949864	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl+CF3COOH"	148.962264
"1378827"	152.974924	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H-2H2O"	-35.012676
"1393041"	170.9849	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H-H2O"	-17.0027
"294916"	376.982476	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+H"	1.007276
"689161"	564.970076	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+H"	1.007276
"1360405"	188.994876	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H"	1.007276
"139490"	188.994876	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+2H"	2.014552
"579051"	282.988676	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+2H"	2.014552
"1046030"	95.001076	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2H"	2.014552
"208466"	126.332342666667	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+3H"	3.021828
"652400"	188.994876	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+3H"	3.021828
"1173803"	63.6698093333333	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+3H"	3.021828
"438170"	394.009023	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+NH4"	18.033823
"793698"	581.996623	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+NH4"	18.033823
"1693310"	206.021423	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+NH4"	18.033823
"344747"	197.5081495	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+H+NH4"	19.041099
"738101"	291.5019495	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+H+NH4"	19.041099
"1490017"	103.5143495	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H+NH4"	19.041099
"405418"	398.964418	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+Na"	22.989218
"763131"	586.952018	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+Na"	22.989218
"1612321"	210.976818	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Na"	22.989218
"327823"	199.985847	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+H+Na"	23.996494
"715870"	293.979647	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+H+Na"	23.996494
"1470787"	105.992047	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H+Na"	23.996494
"1061847"	70.9971233333333	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2H+Na"	25.00377
"1266807"	221.021086	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+CH3OH+H"	33.033486
"385386"	414.938358	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+K"	38.963158
"749658"	602.925958	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+K"	38.963158
"1546247"	226.950758	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+K"	38.963158
"308891"	207.972817	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+H+K"	39.970434
"702406"	301.966617	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+H+K"	39.970434
"1456226"	113.979017	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H+K"	39.970434
"247014"	418.009026	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+ACN+H"	42.033826
"1219725"	230.021426	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+ACN+H"	42.033826
"1203607"	115.514351	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+ACN+2H"	43.041102
"201218"	420.94636	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+2Na-H"	44.97116
"637131"	608.93396	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+2Na-H"	44.97116
"1145877"	232.95876	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2Na-H"	44.97116
"187587"	210.976818	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+2Na"	45.978436
"627757"	304.970618	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+2Na"	45.978436
"1124817"	116.983018	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2Na"	45.978436
"1413450"	78.3244373333333	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H+2Na"	46.985712
"1443376"	235.000346	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H+HCOOH"	47.012746
"229061"	216.00984	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+3H2O+2H"	56.04448
"1518214"	249.05239	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+IsoProp+H"	61.06479
"422520"	218.963788	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+Na+K"	61.952376
"783756"	312.957588	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+Na+K"	61.952376
"1680939"	124.969988	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Na+K"	61.952376
"265271"	439.990968	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+ACN+Na"	64.015768
"1237734"	252.003368	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+ACN+Na"	64.015768
"1725532"	252.026893	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+NH4+HCOOH"	64.039293
"1191250"	85.6517513333333	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+3Na"	68.967654
"1661507"	256.982288	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Na+HCOOH"	68.994688
"168731"	452.89424	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+2K-H"	76.91904
"606836"	640.88184	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+2K-H"	76.91904
"1094990"	264.90664	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2K-H"	76.91904
"145248"	226.950758	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"2M+2K"	77.926316
"584810"	320.944558	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"3M+2K"	77.926316
"1070419"	132.956958	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2K"	77.926316
"1103625"	266.921192	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2K+H"	78.933592
"1337098"	267.008807	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+DMSO+H"	79.021207
"1010730"	271.047976	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2ACN+H"	83.060376
"1526667"	272.041608	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+IsoProp+Na+H"	84.054008
"994209"	136.027626	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+2ACN+2H"	84.067652
"1588712"	272.956228	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+K+HCOOH"	84.968628
"1417650"	302.987738	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+H+CF3COOH"	115.000138
"1151224"	156.540901	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+3ACN+2H"	125.094202
"1701869"	320.014285	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+NH4+CF3COOH"	132.026685
"1637520"	324.96968	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+Na+CF3COOH"	136.98208
"1572445"	340.94362	"C18304"	"2-Chloro-5-methyl-cis-dienelactone"	"C7H5ClO4"	"187.9876"	"M+K+CF3COOH"	152.95602
"812288"	205.9982	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M"	0
"975979"	186.97981	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H2O-H"	-19.01839
"70784"	136.324857333333	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-3H"	-3.021828
"509250"	204.990924	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-3H"	-3.021828
"884864"	67.6587906666667	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-3H"	-3.021828
"8908"	204.990924	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H"	-2.014552
"445188"	307.990024	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H"	-2.014552
"827369"	101.991824	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H"	-2.014552
"88458"	410.989124	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-H"	-1.007276
"532150"	616.987324	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-H"	-1.007276
"909101"	204.990924	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H"	-1.007276
"49625"	428.015671	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H+NH4"	16.019271
"493196"	634.013871	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H+NH4"	16.019271
"877560"	222.017471	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H+NH4"	16.019271
"42181"	432.971066	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H+Na"	20.974666
"474817"	638.969266	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H+Na"	20.974666
"852254"	226.972866	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H+Na"	20.974666
"1621785"	226.972866	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na-2H"	20.974666
"97220"	222.979263	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-H+Cl"	33.962126
"535443"	325.978363	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-H+Cl"	33.962126
"935403"	119.980163	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+Cl"	33.962126
"272865"	446.965802	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Cl"	34.969402
"663098"	652.964002	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+Cl"	34.969402
"1279884"	240.967602	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl"	34.969402
"21346"	448.945006	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H+K"	36.948606
"458723"	654.943206	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H+K"	36.948606
"835431"	242.946806	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H+K"	36.948606
"1558918"	242.946806	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K-2H"	36.948606
"944006"	250.996394	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+HCOOH"	44.998194
"368296"	456.994601	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+HCOOH-H"	44.998201
"346712"	471.010251	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Hac-H"	59.013851
"1497009"	265.012051	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Hac-H"	59.013851
"967465"	272.978351	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+NaCOOH"	66.980151
"118560"	240.967602	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2Cl"	69.938804
"559217"	343.966702	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2Cl"	69.938804
"1028015"	137.968502	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2Cl"	69.938804
"1251966"	284.917085	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Br"	78.918885
"1307855"	286.973072	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl+HCOOH"	80.974872
"1330819"	308.955029	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl+NaCOOH"	102.956829
"922610"	318.983786	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+CF3COOH"	112.985586
"1300775"	354.960464	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl+CF3COOH"	148.962264
"1378935"	170.985524	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H-2H2O"	-35.012676
"1389871"	188.9955	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H-H2O"	-17.0027
"292837"	413.003676	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H"	1.007276
"686355"	619.001876	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H"	1.007276
"1359421"	207.005476	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H"	1.007276
"136683"	207.005476	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2H"	2.014552
"577338"	310.004576	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2H"	2.014552
"1038483"	104.006376	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2H"	2.014552
"208573"	138.339409333333	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+3H"	3.021828
"651776"	207.005476	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+3H"	3.021828
"1168809"	69.6733426666667	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+3H"	3.021828
"431719"	430.030223	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+NH4"	18.033823
"791983"	636.028423	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+NH4"	18.033823
"1687953"	224.032023	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+NH4"	18.033823
"342428"	215.5187495	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H+NH4"	19.041099
"733024"	318.5178495	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H+NH4"	19.041099
"1484659"	112.5196495	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+NH4"	19.041099
"401153"	434.985618	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Na"	22.989218
"759961"	640.983818	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+Na"	22.989218
"1609154"	228.987418	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na"	22.989218
"323560"	217.996447	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H+Na"	23.996494
"712701"	320.995547	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H+Na"	23.996494
"1470897"	114.997347	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+Na"	23.996494
"1059769"	77.0006566666667	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2H+Na"	25.00377
"1263636"	239.031686	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+CH3OH+H"	33.033486
"383305"	450.959558	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+K"	38.963158
"741384"	656.957758	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+K"	38.963158
"1541127"	244.961358	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K"	38.963158
"300980"	225.983417	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H+K"	39.970434
"696319"	328.982517	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H+K"	39.970434
"1450868"	122.984317	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+K"	39.970434
"243844"	454.030226	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+ACN+H"	42.033826
"1217645"	248.032026	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+ACN+H"	42.033826
"1200438"	124.519651	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+ACN+2H"	43.041102
"197682"	456.96756	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2Na-H"	44.97116
"635054"	662.96576	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2Na-H"	44.97116
"1136373"	250.96936	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2Na-H"	44.97116
"187096"	228.987418	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2Na"	45.978436
"628071"	331.986518	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2Na"	45.978436
"1124927"	125.988318	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2Na"	45.978436
"1412707"	84.3279706666667	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+2Na"	46.985712
"1439476"	253.010946	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+HCOOH"	47.012746
"229171"	234.02044	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+3H2O+2H"	56.04448
"1515043"	267.06299	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+IsoProp+H"	61.06479
"423477"	236.974388	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Na+K"	61.952376
"781192"	339.973488	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+Na+K"	61.952376
"1676431"	133.975288	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na+K"	61.952376
"260763"	476.012168	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+ACN+Na"	64.015768
"1236750"	270.013968	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+ACN+Na"	64.015768
"1724912"	270.037493	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+NH4+HCOOH"	64.039293
"1191360"	91.6552846666667	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+3Na"	68.967654
"1661980"	274.992888	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na+HCOOH"	68.994688
"167385"	488.91544	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2K-H"	76.91904
"605124"	694.91364	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2K-H"	76.91904
"1094007"	282.91724	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2K-H"	76.91904
"150825"	244.961358	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2K"	77.926316
"589294"	347.960458	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2K"	77.926316
"1072713"	141.962258	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2K"	77.926316
"1101549"	284.931792	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2K+H"	78.933592
"1337207"	285.019407	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+DMSO+H"	79.021207
"1009747"	289.058576	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2ACN+H"	83.060376
"1525805"	290.052208	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+IsoProp+Na+H"	84.054008
"993226"	145.032926	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2ACN+2H"	84.067652
"1587971"	290.966828	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K+HCOOH"	84.968628
"1416666"	320.998338	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+CF3COOH"	115.000138
"1152427"	165.546201	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+3ACN+2H"	125.094202
"1701979"	338.024885	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+NH4+CF3COOH"	132.026685
"1637630"	342.98028	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na+CF3COOH"	136.98208
"1572191"	358.95422	"C18305"	"2-Chloro-5-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K+CF3COOH"	152.95602
"816747"	172.0372	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M"	0
"987754"	153.01881	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"78185"	113.684190666667	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"518382"	171.029924	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"892265"	56.3384573333333	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"13757"	171.029924	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"449672"	257.048524	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"827479"	85.011324	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"87475"	343.067124	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"531047"	515.104324	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"908120"	171.029924	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"55932"	360.093671	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"500719"	532.130871	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"874388"	188.056471	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"42291"	365.049066	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"479665"	537.086266	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"853094"	193.011866	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1621168"	193.011866	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"101341"	189.018263	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"540901"	275.036863	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"932228"	102.999663	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"272975"	379.043802	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"662113"	551.081002	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1283274"	207.006602	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"23643"	381.023006	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"464297"	553.060206	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"837728"	208.985806	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1561215"	208.985806	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"946182"	217.035394	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"370593"	389.072601	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"349739"	403.088251	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1500036"	231.051051	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"966482"	239.017351	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"116484"	207.006602	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"561513"	293.025202	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1029219"	120.988002	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1253169"	250.956085	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1319267"	253.012072	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1334455"	274.994029	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"925636"	285.022786	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1298701"	320.999464	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1381233"	137.024524	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1396541"	155.0345	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"297321"	345.081676	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"685372"	517.118876	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1360626"	173.044476	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"133514"	173.044476	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"576356"	259.063076	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1044065"	87.025876	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"207955"	115.698742666667	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"650432"	173.044476	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1165638"	58.3530093333333	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"430732"	362.108223	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"789542"	534.145423	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1691341"	190.071023	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"336341"	181.5577495	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"727667"	267.5763495	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1482582"	95.5391495	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"405638"	367.063618	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"763353"	539.100818	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1613638"	195.026418	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"325858"	184.035447	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"718277"	270.054047	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1471005"	98.016847	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1059876"	65.6803233333333	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1267026"	205.070686	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"384508"	383.037558	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"742224"	555.074758	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1546465"	211.000358	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"304735"	192.022417	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"698251"	278.041017	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1453165"	106.003817	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"247236"	386.108226	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1219943"	214.071026	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1203828"	107.539151	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"199613"	389.04556	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"635164"	561.08276	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1139762"	217.00836	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"175404"	195.026418	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"628492"	281.045018	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1131156"	109.007818	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1412936"	73.0076373333333	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1444690"	219.049946	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"229283"	200.05944	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1516247"	233.10199	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"420308"	203.013388	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"780210"	289.031988	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1679822"	116.994788	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"259781"	408.090168	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1236860"	236.052968	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1724656"	236.076493	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1190012"	80.3349513333333	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1662456"	241.031888	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"170409"	420.99344	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"609969"	593.03064	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1095579"	248.95624	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"151665"	211.000358	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"590498"	297.018958	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1079386"	124.981758	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1108220"	250.970792	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1345699"	251.058407	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1009852"	255.097576	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1529072"	256.091208	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"992241"	128.052426	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1592211"	257.005828	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1417869"	287.037338	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1152537"	148.565701	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1700996"	304.063885	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1637740"	309.01928	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1572301"	324.99322	"C18306"	"5-Methylmaleylacetate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"809228"	174.0528	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M"	0
"979480"	155.03441	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H2O-H"	-19.01839
"76472"	115.027924	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-3H"	-3.021828
"517005"	173.045524	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-3H"	-3.021828
"891647"	57.010324	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-3H"	-3.021828
"12045"	173.045524	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H"	-2.014552
"450876"	260.071924	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H"	-2.014552
"821025"	86.019124	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H"	-2.014552
"87585"	347.098324	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-H"	-1.007276
"531521"	521.151124	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-H"	-1.007276
"908596"	173.045524	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H"	-1.007276
"56042"	364.124871	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H+NH4"	16.019271
"494509"	538.177671	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H+NH4"	16.019271
"873405"	190.072071	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H+NH4"	16.019271
"44223"	369.080266	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H+Na"	20.974666
"476493"	543.133066	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H+Na"	20.974666
"853205"	195.027466	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H+Na"	20.974666
"1620549"	195.027466	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na-2H"	20.974666
"95619"	191.033863	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-H+Cl"	33.962126
"539919"	278.060263	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-H+Cl"	33.962126
"931247"	104.007463	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+Cl"	33.962126
"269074"	383.075002	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Cl"	34.969402
"664413"	557.127802	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+Cl"	34.969402
"1272924"	209.022202	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl"	34.969402
"17186"	385.054206	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H+K"	36.948606
"463312"	559.107006	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H+K"	36.948606
"840020"	211.001406	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H+K"	36.948606
"1563512"	211.001406	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K-2H"	36.948606
"955405"	219.050994	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+HCOOH"	44.998194
"373984"	393.103801	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+HCOOH-H"	44.998201
"348756"	407.119451	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Hac-H"	59.013851
"1493702"	233.066651	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Hac-H"	59.013851
"961852"	241.032951	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+NaCOOH"	66.980151
"115500"	209.022202	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2Cl"	69.938804
"556154"	296.048602	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2Cl"	69.938804
"1027142"	121.995802	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2Cl"	69.938804
"1248906"	252.971685	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Br"	78.918885
"1311356"	255.027672	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl+HCOOH"	80.974872
"1333226"	277.009629	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl+NaCOOH"	102.956829
"919909"	287.038386	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+CF3COOH"	112.985586
"1302453"	323.015064	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl+CF3COOH"	148.962264
"1379152"	139.040124	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H-2H2O"	-35.012676
"1397742"	157.0501	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H-H2O"	-17.0027
"297067"	349.112876	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H"	1.007276
"688758"	523.165676	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H"	1.007276
"1364746"	175.060076	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H"	1.007276
"132531"	175.060076	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2H"	2.014552
"573185"	262.086476	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2H"	2.014552
"1040892"	88.033676	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2H"	2.014552
"209887"	117.042476	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+3H"	3.021828
"646165"	175.060076	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+3H"	3.021828
"1166116"	59.024876	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+3H"	3.021828
"429752"	366.139423	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+NH4"	18.033823
"792935"	540.192223	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+NH4"	18.033823
"1690360"	192.086623	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+NH4"	18.033823
"336452"	183.5733495	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H+NH4"	19.041099
"725590"	270.5997495	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H+NH4"	19.041099
"1482693"	96.5469495	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+NH4"	19.041099
"404655"	371.094818	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Na"	22.989218
"764556"	545.147618	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+Na"	22.989218
"1613748"	197.042018	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na"	22.989218
"324511"	186.051047	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H+Na"	23.996494
"720819"	273.077447	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H+Na"	23.996494
"1472208"	99.024647	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+Na"	23.996494
"1062174"	66.35219	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2H+Na"	25.00377
"1266042"	207.086286	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+CH3OH+H"	33.033486
"381337"	387.068758	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+K"	38.963158
"743430"	561.121558	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+K"	38.963158
"1543292"	213.015958	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K"	38.963158
"307032"	194.038017	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H+K"	39.970434
"702735"	281.064417	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H+K"	39.970434
"1457286"	107.011617	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+K"	39.970434
"241879"	390.139426	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+ACN+H"	42.033826
"1213496"	216.086626	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+ACN+H"	42.033826
"1202847"	108.546951	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+ACN+2H"	43.041102
"197902"	393.07676	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2Na-H"	44.97116
"638558"	567.12956	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2Na-H"	44.97116
"1136596"	219.02396	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2Na-H"	44.97116
"175512"	197.042018	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2Na"	45.978436
"627716"	284.068418	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2Na"	45.978436
"1130252"	110.015618	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2Na"	45.978436
"1413050"	73.679504	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+2Na"	46.985712
"1444800"	221.065546	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+HCOOH"	47.012746
"229392"	202.07504	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+3H2O+2H"	56.04448
"1515264"	235.11759	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+IsoProp+H"	61.06479
"418232"	205.028988	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Na+K"	61.952376
"781415"	292.055388	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+Na+K"	61.952376
"1675558"	118.002588	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na+K"	61.952376
"259891"	412.121368	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+ACN+Na"	64.015768
"1238798"	238.068568	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+ACN+Na"	64.015768
"1724770"	238.092093	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+NH4+HCOOH"	64.039293
"1187937"	81.006818	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+3Na"	68.967654
"1661838"	243.047488	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na+HCOOH"	68.994688
"167970"	425.02464	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2K-H"	76.91904
"607528"	599.07744	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2K-H"	76.91904
"1092772"	250.97184	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2K-H"	76.91904
"151777"	213.015958	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2K"	77.926316
"590609"	300.042358	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2K"	77.926316
"1079862"	125.989558	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2K"	77.926316
"1112708"	252.986392	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2K+H"	78.933592
"1346174"	253.074007	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+DMSO+H"	79.021207
"1007775"	257.113176	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2ACN+H"	83.060376
"1528087"	258.106808	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+IsoProp+Na+H"	84.054008
"993444"	129.060226	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2ACN+2H"	84.067652
"1590135"	259.021428	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K+HCOOH"	84.968628
"1414819"	289.052938	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+CF3COOH"	115.000138
"1152647"	149.573501	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+3ACN+2H"	125.094202
"1700013"	306.079485	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+NH4+CF3COOH"	132.026685
"1637850"	311.03488	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na+CF3COOH"	136.98208
"1572411"	327.00882	"C18307"	"2-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K+CF3COOH"	152.95602
"809338"	223.9643	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M"	0
"979590"	204.94591	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-H2O-H"	-19.01839
"76582"	148.302257333333	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M-3H"	-3.021828
"511768"	222.957024	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M-3H"	-3.021828
"891757"	73.6474906666667	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-3H"	-3.021828
"12155"	222.957024	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M-2H"	-2.014552
"451715"	334.939174	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M-2H"	-2.014552
"824417"	110.974874	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-2H"	-2.014552
"87695"	446.921324	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M-H"	-1.007276
"526161"	670.885624	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M-H"	-1.007276
"907246"	222.957024	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-H"	-1.007276
"56152"	463.947871	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M-2H+NH4"	16.019271
"496808"	687.912171	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M-2H+NH4"	16.019271
"874608"	239.983571	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-2H+NH4"	16.019271
"40324"	468.903266	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M-2H+Na"	20.974666
"476967"	692.867566	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M-2H+Na"	20.974666
"851492"	244.938966	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-2H+Na"	20.974666
"1621388"	244.938966	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Na-2H"	20.974666
"95362"	240.945363	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M-H+Cl"	33.962126
"540029"	352.927513	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M-H+Cl"	33.962126
"931357"	128.963213	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-H+Cl"	33.962126
"269913"	482.898002	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+Cl"	34.969402
"666711"	706.862302	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+Cl"	34.969402
"1274373"	258.933702	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Cl"	34.969402
"22763"	484.877206	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M-2H+K"	36.948606
"461236"	708.841506	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M-2H+K"	36.948606
"839037"	260.912906	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-2H+K"	36.948606
"1562528"	260.912906	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+K-2H"	36.948606
"953692"	268.962494	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-H+HCOOH"	44.998194
"370814"	492.926801	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+HCOOH-H"	44.998201
"350326"	506.942451	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+Hac-H"	59.013851
"1495153"	282.978151	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Hac-H"	59.013851
"962329"	290.944451	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-H+NaCOOH"	66.980151
"110871"	258.933702	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+2Cl"	69.938804
"555171"	370.915852	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+2Cl"	69.938804
"1023971"	146.951552	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2Cl"	69.938804
"1244643"	302.883185	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Br"	78.918885
"1311466"	304.939172	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Cl+HCOOH"	80.974872
"1334429"	326.921129	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Cl+NaCOOH"	102.956829
"920019"	336.949886	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M-H+CF3COOH"	112.985586
"1302561"	372.926564	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Cl+CF3COOH"	148.962264
"1377075"	188.951624	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H-2H2O"	-35.012676
"1396759"	206.9616	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H-H2O"	-17.0027
"297541"	448.935876	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+H"	1.007276
"688869"	672.900176	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+H"	1.007276
"1364857"	224.971576	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H"	1.007276
"135923"	224.971576	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+2H"	2.014552
"575484"	336.953726	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+2H"	2.014552
"1045377"	112.989426	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2H"	2.014552
"212183"	150.316809333333	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+3H"	3.021828
"648828"	224.971576	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+3H"	3.021828
"1165495"	75.6620426666667	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+3H"	3.021828
"426582"	465.962423	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+NH4"	18.033823
"793047"	689.926723	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+NH4"	18.033823
"1691563"	241.998123	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+NH4"	18.033823
"339843"	233.4848495	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+H+NH4"	19.041099
"730075"	345.4669995	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+H+NH4"	19.041099
"1486083"	121.5026995	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H+NH4"	19.041099
"403670"	470.917818	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+Na"	22.989218
"764300"	694.882118	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+Na"	22.989218
"1611671"	246.953518	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Na"	22.989218
"325714"	235.962547	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+H+Na"	23.996494
"718499"	347.944697	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+H+Na"	23.996494
"1471225"	123.980397	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H+Na"	23.996494
"1061187"	82.9893566666667	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2H+Na"	25.00377
"1265055"	256.997786	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+CH3OH+H"	33.033486
"391655"	486.891758	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+K"	38.963158
"741717"	710.856058	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+K"	38.963158
"1546684"	262.927458	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+K"	38.963158
"309329"	243.949517	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+H+K"	39.970434
"702845"	355.931667	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+H+K"	39.970434
"1457396"	131.967367	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H+K"	39.970434
"246364"	489.962426	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+ACN+H"	42.033826
"1217979"	265.998126	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+ACN+H"	42.033826
"1205508"	133.502701	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+ACN+2H"	43.041102
"201658"	492.89976	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+2Na-H"	44.97116
"641587"	716.86406	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+2Na-H"	44.97116
"1144969"	268.93546	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2Na-H"	44.97116
"185462"	246.953518	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+2Na"	45.978436
"626493"	358.935668	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+2Na"	45.978436
"1128544"	134.971368	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2Na"	45.978436
"1410244"	90.3166706666667	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H+2Na"	46.985712
"1443818"	270.977046	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H+HCOOH"	47.012746
"230598"	251.98654	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+3H2O+2H"	56.04448
"1516469"	285.02909	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+IsoProp+H"	61.06479
"417248"	254.940488	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+Na+K"	61.952376
"780432"	366.922638	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+Na+K"	61.952376
"1676399"	142.958338	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Na+K"	61.952376
"263648"	511.944368	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+ACN+Na"	64.015768
"1236722"	287.980068	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+ACN+Na"	64.015768
"1724151"	288.003593	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+NH4+HCOOH"	64.039293
"1190236"	97.6439846666667	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+3Na"	68.967654
"1659763"	292.958988	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Na+HCOOH"	68.994688
"168082"	524.84764	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+2K-H"	76.91904
"608372"	748.81194	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+2K-H"	76.91904
"1095436"	300.88334	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2K-H"	76.91904
"151160"	262.927458	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"2M+2K"	77.926316
"593272"	374.909608	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"3M+2K"	77.926316
"1082527"	150.945308	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2K"	77.926316
"1114522"	302.897892	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2K+H"	78.933592
"1348837"	302.985507	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+DMSO+H"	79.021207
"1010073"	307.024676	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2ACN+H"	83.060376
"1532572"	308.018308	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+IsoProp+Na+H"	84.054008
"992461"	154.015976	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+2ACN+2H"	84.067652
"1589152"	308.932928	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+K+HCOOH"	84.968628
"1415902"	338.964438	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+H+CF3COOH"	115.000138
"1152757"	174.529251	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+3ACN+2H"	125.094202
"1701216"	355.990985	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+NH4+CF3COOH"	132.026685
"1641240"	360.94638	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+Na+CF3COOH"	136.98208
"1572521"	376.92032	"C18308"	"35-Dichloro-2-methylmuconolactone"	"C7H6Cl2O4"	"223.9643"	"M+K+CF3COOH"	152.95602
"816578"	187.9876	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M"	0
"980793"	168.96921	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-H2O-H"	-19.01839
"76692"	124.317790666667	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M-3H"	-3.021828
"517346"	186.980324	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M-3H"	-3.021828
"895030"	61.6552573333333	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-3H"	-3.021828
"2785"	186.980324	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H"	-2.014552
"448908"	280.974124	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H"	-2.014552
"824527"	92.986524	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-2H"	-2.014552
"86709"	374.967924	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M-H"	-1.007276
"526271"	562.955524	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M-H"	-1.007276
"906263"	186.980324	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-H"	-1.007276
"57358"	391.994471	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H+NH4"	16.019271
"498011"	579.982071	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H+NH4"	16.019271
"874721"	204.006871	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-2H+NH4"	16.019271
"39341"	396.949866	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H+Na"	20.974666
"475985"	584.937466	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H+Na"	20.974666
"852695"	208.962266	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-2H+Na"	20.974666
"1619184"	208.962266	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Na-2H"	20.974666
"95835"	204.968663	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M-H+Cl"	33.962126
"537581"	298.962463	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M-H+Cl"	33.962126
"930004"	110.974863	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-H+Cl"	33.962126
"271840"	410.944602	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+Cl"	34.969402
"664625"	598.932202	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+Cl"	34.969402
"1275938"	222.957002	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl"	34.969402
"22873"	412.923806	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M-2H+K"	36.948606
"461346"	600.911406	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M-2H+K"	36.948606
"839147"	224.936206	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-2H+K"	36.948606
"1569926"	224.936206	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+K-2H"	36.948606
"949429"	232.985794	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-H+HCOOH"	44.998194
"368736"	420.973401	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+HCOOH-H"	44.998201
"348611"	434.989051	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+Hac-H"	59.013851
"1494895"	247.001451	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Hac-H"	59.013851
"958949"	254.967751	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-H+NaCOOH"	66.980151
"110408"	222.957002	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+2Cl"	69.938804
"551998"	316.950802	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+2Cl"	69.938804
"1022256"	128.963202	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2Cl"	69.938804
"1242929"	266.906485	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Br"	78.918885
"1304889"	268.962472	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl+HCOOH"	80.974872
"1324697"	290.944429	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl+NaCOOH"	102.956829
"914660"	300.973186	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M-H+CF3COOH"	112.985586
"1297930"	336.949864	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Cl+CF3COOH"	148.962264
"1377188"	152.974924	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H-2H2O"	-35.012676
"1393589"	170.9849	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H-H2O"	-17.0027
"294368"	376.982476	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+H"	1.007276
"688615"	564.970076	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+H"	1.007276
"1363139"	188.994876	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H"	1.007276
"134935"	188.994876	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+2H"	2.014552
"575230"	282.988676	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+2H"	2.014552
"1045487"	95.001076	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2H"	2.014552
"211201"	126.332342666667	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+3H"	3.021828
"647845"	188.994876	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+3H"	3.021828
"1165972"	63.6698093333333	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+3H"	3.021828
"427786"	394.009023	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+NH4"	18.033823
"788781"	581.996623	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+NH4"	18.033823
"1685112"	206.021423	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+NH4"	18.033823
"333389"	197.5081495	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+H+NH4"	19.041099
"730184"	291.5019495	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+H+NH4"	19.041099
"1484005"	103.5143495	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H+NH4"	19.041099
"397216"	398.964418	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+Na"	22.989218
"762586"	586.952018	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+Na"	22.989218
"1608497"	210.976818	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Na"	22.989218
"324000"	199.985847	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+H+Na"	23.996494
"714234"	293.979647	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+H+Na"	23.996494
"1471333"	105.992047	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H+Na"	23.996494
"1060203"	70.9971233333333	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2H+Na"	25.00377
"1262975"	221.021086	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+CH3OH+H"	33.033486
"388115"	414.938358	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+K"	38.963158
"746932"	602.925958	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+K"	38.963158
"1544608"	226.950758	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+K"	38.963158
"310534"	207.972817	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+H+K"	39.970434
"701866"	301.966617	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+H+K"	39.970434
"1459333"	113.979017	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H+K"	39.970434
"241007"	418.009026	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+ACN+H"	42.033826
"1214809"	230.021426	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+ACN+H"	42.033826
"1203797"	115.514351	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+ACN+2H"	43.041102
"202379"	420.94636	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+2Na-H"	44.97116
"642790"	608.93396	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+2Na-H"	44.97116
"1140098"	232.95876	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2Na-H"	44.97116
"185572"	210.976818	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+2Na"	45.978436
"625511"	304.970618	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+2Na"	45.978436
"1127561"	116.983018	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2Na"	45.978436
"1410719"	78.3244373333333	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H+2Na"	46.985712
"1442835"	235.000346	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H+HCOOH"	47.012746
"229249"	216.00984	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+3H2O+2H"	56.04448
"1516582"	249.05239	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+IsoProp+H"	61.06479
"419548"	218.963788	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+Na+K"	61.952376
"779814"	312.957588	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+Na+K"	61.952376
"1677970"	124.969988	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Na+K"	61.952376
"259749"	439.990968	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+ACN+Na"	64.015768
"1237563"	252.003368	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+ACN+Na"	64.015768
"1724991"	252.026893	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+NH4+HCOOH"	64.039293
"1188526"	85.6517513333333	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+3Na"	68.967654
"1656959"	256.982288	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Na+HCOOH"	68.994688
"168921"	452.89424	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+2K-H"	76.91904
"608117"	640.88184	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+2K-H"	76.91904
"1092631"	264.90664	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2K-H"	76.91904
"150177"	226.950758	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"2M+2K"	77.926316
"591194"	320.944558	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"3M+2K"	77.926316
"1080448"	132.956958	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2K"	77.926316
"1114025"	266.921192	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2K+H"	78.933592
"1345667"	267.008807	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+DMSO+H"	79.021207
"1010183"	271.047976	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2ACN+H"	83.060376
"1531591"	272.041608	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+IsoProp+Na+H"	84.054008
"993665"	136.027626	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+2ACN+2H"	84.067652
"1592542"	272.956228	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+K+HCOOH"	84.968628
"1415526"	302.987738	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+H+CF3COOH"	115.000138
"1151774"	156.540901	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+3ACN+2H"	125.094202
"1703513"	320.014285	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+NH4+CF3COOH"	132.026685
"1641350"	324.96968	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+Na+CF3COOH"	136.98208
"1575911"	340.94362	"C18309"	"3-Chloro-2-methyldienelactone"	"C7H5ClO4"	"187.9876"	"M+K+CF3COOH"	152.95602
"809558"	205.9982	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M"	0
"979810"	186.97981	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H2O-H"	-19.01839
"77895"	136.324857333333	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-3H"	-3.021828
"517821"	204.990924	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-3H"	-3.021828
"895559"	67.6587906666667	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-3H"	-3.021828
"8363"	204.990924	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H"	-2.014552
"445737"	307.990024	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H"	-2.014552
"824637"	101.991824	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H"	-2.014552
"92164"	410.989124	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-H"	-1.007276
"530754"	616.987324	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-H"	-1.007276
"908559"	204.990924	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H"	-1.007276
"61720"	428.015671	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H+NH4"	16.019271
"499215"	634.013871	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H+NH4"	16.019271
"877625"	222.017471	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H+NH4"	16.019271
"42729"	432.971066	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H+Na"	20.974666
"477187"	638.969266	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H+Na"	20.974666
"851347"	226.972866	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H+Na"	20.974666
"1620143"	226.972866	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na-2H"	20.974666
"96430"	222.979263	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-H+Cl"	33.962126
"538056"	325.978363	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-H+Cl"	33.962126
"929752"	119.980163	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+Cl"	33.962126
"270129"	446.965802	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Cl"	34.969402
"664738"	652.964002	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+Cl"	34.969402
"1274955"	240.967602	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl"	34.969402
"18609"	448.945006	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M-2H+K"	36.948606
"463643"	654.943206	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M-2H+K"	36.948606
"841444"	242.946806	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-2H+K"	36.948606
"1569309"	242.946806	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K-2H"	36.948606
"948445"	250.996394	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+HCOOH"	44.998194
"368846"	456.994601	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+HCOOH-H"	44.998201
"349814"	471.010251	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Hac-H"	59.013851
"1497192"	265.012051	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Hac-H"	59.013851
"960723"	272.978351	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+NaCOOH"	66.980151
"112180"	240.967602	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2Cl"	69.938804
"551378"	343.966702	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2Cl"	69.938804
"1023095"	137.968502	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2Cl"	69.938804
"1242066"	284.917085	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Br"	78.918885
"1305123"	286.973072	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl+HCOOH"	80.974872
"1322620"	308.955029	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl+NaCOOH"	102.956829
"914770"	318.983786	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M-H+CF3COOH"	112.985586
"1294760"	354.960464	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Cl+CF3COOH"	148.962264
"1376203"	170.985524	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H-2H2O"	-35.012676
"1392605"	188.9955	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H-H2O"	-17.0027
"294114"	413.003676	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H"	1.007276
"687629"	619.001876	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H"	1.007276
"1361062"	207.005476	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H"	1.007276
"133951"	207.005476	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2H"	2.014552
"575704"	310.004576	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2H"	2.014552
"1046690"	104.006376	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2H"	2.014552
"211311"	138.339409333333	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+3H"	3.021828
"648320"	207.005476	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+3H"	3.021828
"1168998"	69.6733426666667	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+3H"	3.021828
"426437"	430.030223	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+NH4"	18.033823
"791078"	636.028423	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+NH4"	18.033823
"1684856"	224.032023	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+NH4"	18.033823
"333133"	215.5187495	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H+NH4"	19.041099
"727013"	318.5178495	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H+NH4"	19.041099
"1484114"	112.5196495	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+NH4"	19.041099
"399513"	434.985618	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Na"	22.989218
"759414"	640.983818	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+Na"	22.989218
"1609700"	228.987418	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na"	22.989218
"323017"	217.996447	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H+Na"	23.996494
"718718"	320.995547	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H+Na"	23.996494
"1472536"	114.997347	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+Na"	23.996494
"1060313"	77.0006566666667	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2H+Na"	25.00377
"1259806"	239.031686	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+CH3OH+H"	33.033486
"390047"	450.959558	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+K"	38.963158
"747041"	656.957758	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+K"	38.963158
"1546905"	244.961358	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K"	38.963158
"311739"	225.983417	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+H+K"	39.970434
"700880"	328.982517	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+H+K"	39.970434
"1460861"	122.984317	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+K"	39.970434
"243303"	454.030226	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+ACN+H"	42.033826
"1217105"	248.032026	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+ACN+H"	42.033826
"1206457"	124.519651	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+ACN+2H"	43.041102
"204030"	456.96756	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2Na-H"	44.97116
"644119"	662.96576	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2Na-H"	44.97116
"1144947"	250.96936	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2Na-H"	44.97116
"186776"	228.987418	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2Na"	45.978436
"624891"	331.986518	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2Na"	45.978436
"1126574"	125.988318	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2Na"	45.978436
"1409002"	84.3279706666667	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+2Na"	46.985712
"1438936"	253.010946	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+HCOOH"	47.012746
"230452"	234.02044	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+3H2O+2H"	56.04448
"1517785"	267.06299	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+IsoProp+H"	61.06479
"418929"	236.974388	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+Na+K"	61.952376
"780652"	339.973488	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+Na+K"	61.952376
"1678081"	133.975288	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na+K"	61.952376
"261682"	476.012168	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+ACN+Na"	64.015768
"1236944"	270.013968	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+ACN+Na"	64.015768
"1722185"	270.037493	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+NH4+HCOOH"	64.039293
"1188637"	91.6552846666667	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+3Na"	68.967654
"1659253"	274.992888	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na+HCOOH"	68.994688
"166843"	488.91544	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2K-H"	76.91904
"608592"	694.91364	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2K-H"	76.91904
"1094926"	282.91724	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2K-H"	76.91904
"152839"	244.961358	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"2M+2K"	77.926316
"591670"	347.960458	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"3M+2K"	77.926316
"1078733"	141.962258	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2K"	77.926316
"1113039"	284.931792	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2K+H"	78.933592
"1346506"	285.019407	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+DMSO+H"	79.021207
"1017953"	289.058576	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2ACN+H"	83.060376
"1532794"	290.052208	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+IsoProp+Na+H"	84.054008
"993775"	145.032926	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+2ACN+2H"	84.067652
"1592652"	290.966828	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K+HCOOH"	84.968628
"1418310"	320.998338	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+H+CF3COOH"	115.000138
"1150791"	165.546201	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+3ACN+2H"	125.094202
"1702530"	338.024885	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+NH4+CF3COOH"	132.026685
"1638180"	342.98028	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+Na+CF3COOH"	136.98208
"1572741"	358.95422	"C18310"	"3-Chloro-2-methylmaleylacetate"	"C7H7ClO5"	"205.9982"	"M+K+CF3COOH"	152.95602
"803471"	156.0423	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M"	0
"979920"	137.02391	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"76912"	103.020924	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"517567"	155.035024	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"895011"	51.006824	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"14309"	155.035024	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"449127"	233.056174	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"819279"	77.013874	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"85836"	311.077324	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"526491"	467.119624	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"906483"	155.035024	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"55389"	328.103871	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"496043"	484.146171	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"874938"	172.061571	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"42839"	333.059266	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"476933"	489.101566	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"851093"	177.016966	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1619894"	177.016966	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"95691"	173.023363	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"536342"	251.044513	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"928405"	95.002213	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"270965"	347.054002	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"662664"	503.096302	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1275430"	191.011702	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"17990"	349.033206	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"465940"	505.075506	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"841554"	192.990906	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1569417"	192.990906	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"948555"	201.040494	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"370049"	357.082801	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"350654"	371.098451	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1496209"	215.056151	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"961561"	223.022451	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"112658"	191.011702	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"551488"	269.032852	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1024298"	112.990552	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1242176"	234.961185	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1304989"	237.017172	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1324187"	258.999129	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"915244"	269.027886	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1291954"	305.004564	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1376313"	121.029624	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1391622"	139.0396	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"291308"	313.091876	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"682635"	469.134176	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1357890"	157.049576	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"134061"	157.049576	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"573627"	235.070726	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1044613"	79.028426	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"209235"	105.035476	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"652075"	157.049576	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1171294"	53.021376	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"426179"	330.118423	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"787540"	486.160723	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1683142"	174.076123	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"332149"	165.5628495	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"726026"	243.5839995	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1480579"	87.5416995	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"398530"	335.073818	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"758432"	491.116118	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1606531"	179.031518	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"325314"	168.040547	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"717735"	246.061697	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1471552"	90.019397	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1059331"	60.34869	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1261010"	189.075786	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"385052"	351.047758	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"747148"	507.090058	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1547016"	195.005458	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"310754"	176.027517	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"700990"	254.048667	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1459184"	98.006367	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"245600"	354.118426	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1220496"	198.076126	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1206568"	99.541701	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"202962"	357.05576	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"643253"	513.09806	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1140319"	201.01346	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"182515"	179.031518	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"623172"	257.052668	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1127412"	101.010368	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1410934"	67.676004	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1441231"	203.055046	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"231655"	184.06454	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1517895"	217.10709	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"419403"	187.018488	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"779670"	265.039638	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1677825"	108.997338	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"261064"	376.100368	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1238511"	220.058068	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1723025"	220.081593	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1190205"	75.003318	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1657179"	225.036988	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"170234"	389.00364	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"609794"	545.04594	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1094672"	232.96134	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"152950"	195.005458	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"596155"	273.026608	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1081030"	116.984308	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1111690"	234.975892	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1348804"	235.063507	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1018428"	239.102676	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1530717"	240.096308	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"993885"	120.054976	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1591668"	241.010928	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1419514"	271.042438	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1149808"	140.568251	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1697899"	288.068985	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1637197"	293.02438	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1572851"	308.99832	"C18311"	"4-Methyl-3-oxoadipate-enol-lactone"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"803217"	174.0528	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M"	0
"980030"	155.03441	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H2O-H"	-19.01839
"69367"	115.027924	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-3H"	-3.021828
"517800"	173.045524	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-3H"	-3.021828
"895365"	57.010324	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-3H"	-3.021828
"15028"	173.045524	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H"	-2.014552
"449237"	260.071924	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H"	-2.014552
"821576"	86.019124	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H"	-2.014552
"85946"	347.098324	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-H"	-1.007276
"526601"	521.151124	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-H"	-1.007276
"906593"	173.045524	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H"	-1.007276
"55499"	364.124871	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H+NH4"	16.019271
"498339"	538.177671	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H+NH4"	16.019271
"875048"	190.072071	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H+NH4"	16.019271
"41856"	369.080266	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H+Na"	20.974666
"480323"	543.133066	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H+Na"	20.974666
"857032"	195.027466	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H+Na"	20.974666
"1620735"	195.027466	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na-2H"	20.974666
"94703"	191.033863	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-H+Cl"	33.962126
"534997"	278.060263	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-H+Cl"	33.962126
"928150"	104.007463	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+Cl"	33.962126
"269620"	383.075002	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Cl"	34.969402
"663867"	557.127802	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+Cl"	34.969402
"1276269"	209.022202	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl"	34.969402
"18829"	385.054206	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M-2H+K"	36.948606
"463863"	559.107006	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M-2H+K"	36.948606
"842757"	211.001406	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-2H+K"	36.948606
"1566248"	211.001406	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K-2H"	36.948606
"953037"	219.050994	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+HCOOH"	44.998194
"369066"	393.103801	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+HCOOH-H"	44.998201
"349669"	407.119451	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Hac-H"	59.013851
"1497412"	233.066651	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Hac-H"	59.013851
"961672"	241.032951	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+NaCOOH"	66.980151
"112767"	209.022202	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2Cl"	69.938804
"552329"	296.048602	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2Cl"	69.938804
"1024408"	121.995802	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2Cl"	69.938804
"1245081"	252.971685	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Br"	78.918885
"1305706"	255.027672	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl+HCOOH"	80.974872
"1322110"	277.009629	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl+NaCOOH"	102.956829
"912074"	287.038386	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M-H+CF3COOH"	112.985586
"1290240"	323.015064	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Cl+CF3COOH"	148.962264
"1374236"	139.040124	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H-2H2O"	-35.012676
"1387722"	157.0501	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H-H2O"	-17.0027
"288137"	349.112876	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H"	1.007276
"684931"	523.165676	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H"	1.007276
"1358000"	175.060076	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H"	1.007276
"134171"	175.060076	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2H"	2.014552
"575194"	262.086476	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2H"	2.014552
"1045817"	88.033676	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2H"	2.014552
"209709"	117.042476	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+3H"	3.021828
"652185"	175.060076	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+3H"	3.021828
"1169215"	59.024876	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+3H"	3.021828
"427022"	366.139423	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+NH4"	18.033823
"787652"	540.192223	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+NH4"	18.033823
"1683254"	192.086623	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+NH4"	18.033823
"331166"	183.5733495	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H+NH4"	19.041099
"726137"	270.5997495	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H+NH4"	19.041099
"1479232"	96.5469495	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+NH4"	19.041099
"397547"	371.094818	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Na"	22.989218
"759637"	545.147618	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+Na"	22.989218
"1608828"	197.042018	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na"	22.989218
"323239"	186.051047	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H+Na"	23.996494
"714565"	273.077447	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H+Na"	23.996494
"1472755"	99.024647	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+Na"	23.996494
"1059441"	66.35219	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2H+Na"	25.00377
"1264400"	207.086286	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+CH3OH+H"	33.033486
"385162"	387.068758	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+K"	38.963158
"746164"	561.121558	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+K"	38.963158
"1550410"	213.015958	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K"	38.963158
"310865"	194.038017	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+H+K"	39.970434
"704381"	281.064417	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+H+K"	39.970434
"1457107"	107.011617	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+K"	39.970434
"247898"	390.139426	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+ACN+H"	42.033826
"1221700"	216.086626	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+ACN+H"	42.033826
"1204492"	108.546951	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+ACN+2H"	43.041102
"202345"	393.07676	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2Na-H"	44.97116
"643485"	567.12956	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2Na-H"	44.97116
"1140428"	219.02396	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2Na-H"	44.97116
"182625"	197.042018	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2Na"	45.978436
"623282"	284.068418	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2Na"	45.978436
"1125699"	110.015618	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2Na"	45.978436
"1408857"	73.679504	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+2Na"	46.985712
"1440611"	221.065546	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+HCOOH"	47.012746
"231035"	202.07504	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+3H2O+2H"	56.04448
"1512538"	235.11759	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+IsoProp+H"	61.06479
"417327"	205.028988	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+Na+K"	61.952376
"777594"	292.055388	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+Na+K"	61.952376
"1677934"	118.002588	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na+K"	61.952376
"261540"	412.121368	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+ACN+Na"	64.015768
"1236433"	238.068568	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+ACN+Na"	64.015768
"1722042"	238.092093	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+NH4+HCOOH"	64.039293
"1185208"	81.006818	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+3Na"	68.967654
"1658384"	243.047488	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na+HCOOH"	68.994688
"164146"	425.02464	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2K-H"	76.91904
"605895"	599.07744	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2K-H"	76.91904
"1091504"	250.97184	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2K-H"	76.91904
"151601"	213.015958	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"2M+2K"	77.926316
"587882"	300.042358	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"3M+2K"	77.926316
"1081142"	125.989558	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2K"	77.926316
"1112164"	252.986392	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2K+H"	78.933592
"1346361"	253.074007	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+DMSO+H"	79.021207
"1014891"	257.113176	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2ACN+H"	83.060376
"1529733"	258.106808	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+IsoProp+Na+H"	84.054008
"992902"	129.060226	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+2ACN+2H"	84.067652
"1589592"	259.021428	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K+HCOOH"	84.968628
"1422904"	289.052938	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+H+CF3COOH"	115.000138
"1148825"	149.573501	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+3ACN+2H"	125.094202
"1698738"	306.079485	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+NH4+CF3COOH"	132.026685
"1638400"	311.03488	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+Na+CF3COOH"	136.98208
"1572961"	327.00882	"C18312"	"4-Methyl-3-oxoadipate"	"C7H10O5"	"174.0528"	"M+K+CF3COOH"	152.95602
"803691"	200.0321	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M"	0
"988889"	181.01371	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H2O-H"	-19.01839
"74950"	132.347457333333	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-3H"	-3.021828
"517303"	199.024824	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-3H"	-3.021828
"895305"	65.6700906666667	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-3H"	-3.021828
"14163"	199.024824	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H"	-2.014552
"441696"	299.040874	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H"	-2.014552
"820593"	99.008774	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H"	-2.014552
"86056"	399.056924	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-H"	-1.007276
"528905"	599.089024	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-H"	-1.007276
"906706"	199.024824	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H"	-1.007276
"58893"	416.083471	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H+NH4"	16.019271
"499182"	616.115571	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H+NH4"	16.019271
"870789"	216.051371	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H+NH4"	16.019271
"37595"	421.038866	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H+Na"	20.974666
"473873"	621.070966	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H+Na"	20.974666
"852041"	221.006766	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H+Na"	20.974666
"1618772"	221.006766	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na-2H"	20.974666
"94494"	217.013163	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-H+Cl"	33.962126
"535225"	317.029213	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-H+Cl"	33.962126
"928257"	116.997113	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+Cl"	33.962126
"268271"	435.033602	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Cl"	34.969402
"661177"	635.065702	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+Cl"	34.969402
"1274920"	235.001502	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl"	34.969402
"24410"	437.012806	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M-2H+K"	36.948606
"465067"	637.044906	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M-2H+K"	36.948606
"843964"	236.980706	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-2H+K"	36.948606
"1563078"	236.980706	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K-2H"	36.948606
"950962"	245.030294	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+HCOOH"	44.998194
"371363"	445.062401	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+HCOOH-H"	44.998201
"349781"	459.078051	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Hac-H"	59.013851
"1495335"	259.045951	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Hac-H"	59.013851
"963971"	267.012251	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+NaCOOH"	66.980151
"116158"	235.001502	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2Cl"	69.938804
"554625"	335.017552	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2Cl"	69.938804
"1024518"	134.985452	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2Cl"	69.938804
"1241359"	278.950985	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Br"	78.918885
"1306181"	281.006972	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl+HCOOH"	80.974872
"1321489"	302.988929	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl+NaCOOH"	102.956829
"914373"	313.017686	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M-H+CF3COOH"	112.985586
"1290352"	348.994364	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Cl+CF3COOH"	148.962264
"1374345"	165.019424	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H-2H2O"	-35.012676
"1391842"	183.0294	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H-H2O"	-17.0027
"288247"	401.071476	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H"	1.007276
"681762"	601.103576	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H"	1.007276
"1361392"	201.039376	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H"	1.007276
"135374"	201.039376	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2H"	2.014552
"571661"	301.055426	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2H"	2.014552
"1042648"	101.023326	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2H"	2.014552
"206290"	134.362009333333	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+3H"	3.021828
"649015"	201.039376	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+3H"	3.021828
"1166048"	67.6846426666667	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+3H"	3.021828
"426033"	418.098023	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+NH4"	18.033823
"788124"	618.130123	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+NH4"	18.033823
"1683359"	218.065923	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+NH4"	18.033823
"332733"	209.5526495	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H+NH4"	19.041099
"731715"	309.5686995	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H+NH4"	19.041099
"1485537"	109.5365995	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+NH4"	19.041099
"398751"	423.053418	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Na"	22.989218
"759744"	623.085518	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+Na"	22.989218
"1611124"	223.021318	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na"	22.989218
"324441"	212.030347	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H+Na"	23.996494
"717955"	312.046397	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H+Na"	23.996494
"1471773"	112.014297	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+Na"	23.996494
"1062833"	75.0119566666667	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2H+Na"	25.00377
"1264510"	233.065586	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+CH3OH+H"	33.033486
"389648"	439.027358	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+K"	38.963158
"748462"	639.059458	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+K"	38.963158
"1542137"	238.995258	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K"	38.963158
"312075"	220.017317	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+H+K"	39.970434
"701211"	320.033367	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+H+K"	39.970434
"1456122"	120.001267	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+K"	39.970434
"243635"	442.098026	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+ACN+H"	42.033826
"1216342"	242.065926	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+ACN+H"	42.033826
"1202415"	121.536601	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+ACN+2H"	43.041102
"199658"	445.03536	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2Na-H"	44.97116
"635939"	645.06746	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2Na-H"	44.97116
"1140538"	245.00326	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2Na-H"	44.97116
"182735"	223.021318	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2Na"	45.978436
"623396"	323.037368	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2Na"	45.978436
"1125809"	123.005268	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2Na"	45.978436
"1409332"	82.3392706666667	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+2Na"	46.985712
"1438171"	247.044846	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+HCOOH"	47.012746
"228960"	228.05434	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+3H2O+2H"	56.04448
"1512648"	261.09689	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+IsoProp+H"	61.06479
"412333"	231.008288	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+Na+K"	61.952376
"778795"	331.024338	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+Na+K"	61.952376
"1676223"	130.992238	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na+K"	61.952376
"262377"	464.079968	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+ACN+Na"	64.015768
"1235450"	264.047868	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+ACN+Na"	64.015768
"1721057"	264.071393	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+NH4+HCOOH"	64.039293
"1183131"	89.6665846666667	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+3Na"	68.967654
"1653387"	269.026788	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na+HCOOH"	68.994688
"164257"	476.98324	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2K-H"	76.91904
"601631"	677.01534	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2K-H"	76.91904
"1091611"	276.95114	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2K-H"	76.91904
"148427"	238.995258	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"2M+2K"	77.926316
"586898"	339.011308	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"3M+2K"	77.926316
"1077971"	138.979208	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2K"	77.926316
"1102431"	278.965692	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2K+H"	78.933592
"1343188"	279.053307	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+DMSO+H"	79.021207
"1011719"	283.092476	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2ACN+H"	83.060376
"1535312"	284.086108	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+IsoProp+Na+H"	84.054008
"1003826"	142.049876	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+2ACN+2H"	84.067652
"1590794"	285.000728	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K+HCOOH"	84.968628
"1416458"	315.032238	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+H+CF3COOH"	115.000138
"1153311"	162.563151	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+3ACN+2H"	125.094202
"1707236"	332.058785	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+NH4+CF3COOH"	132.026685
"1641793"	337.01418	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+Na+CF3COOH"	136.98208
"1582913"	352.98812	"C18314"	"Phthalate 34-cis-dihydrodiol"	"C8H8O6"	"200.0321"	"M+K+CF3COOH"	152.95602
"809998"	169.0375	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M"	0
"983530"	150.01911	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-H2O-H"	-19.01839
"77244"	111.684390666667	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M-3H"	-3.021828
"516441"	168.030224	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M-3H"	-3.021828
"894606"	55.3385573333333	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-3H"	-3.021828
"12087"	168.030224	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M-2H"	-2.014552
"441076"	252.548974	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M-2H"	-2.014552
"818273"	83.511474	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-2H"	-2.014552
"86166"	337.067724	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M-H"	-1.007276
"531930"	506.105224	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M-H"	-1.007276
"908640"	168.030224	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-H"	-1.007276
"59004"	354.094271	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M-2H+NH4"	16.019271
"498563"	523.131771	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M-2H+NH4"	16.019271
"871992"	185.056771	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-2H+NH4"	16.019271
"40257"	359.049666	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M-2H+Na"	20.974666
"474350"	528.087166	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M-2H+Na"	20.974666
"853974"	190.012166	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-2H+Na"	20.974666
"1619499"	190.012166	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Na-2H"	20.974666
"95661"	186.018563	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M-H+Cl"	33.962126
"536311"	270.537313	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M-H+Cl"	33.962126
"928128"	101.499813	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-H+Cl"	33.962126
"270575"	373.044402	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+Cl"	34.969402
"664089"	542.081902	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+Cl"	34.969402
"1275398"	204.006902	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Cl"	34.969402
"24520"	375.023606	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M-2H+K"	36.948606
"468822"	544.061106	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M-2H+K"	36.948606
"839700"	205.986106	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-2H+K"	36.948606
"1562097"	205.986106	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+K-2H"	36.948606
"951072"	214.035694	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-H+HCOOH"	44.998194
"370380"	383.073201	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+HCOOH-H"	44.998201
"348432"	397.088851	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+Hac-H"	59.013851
"1497632"	228.051351	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Hac-H"	59.013851
"964081"	236.017651	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-H+NaCOOH"	66.980151
"114081"	204.006902	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+2Cl"	69.938804
"551089"	288.525652	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+2Cl"	69.938804
"1023536"	119.488152	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2Cl"	69.938804
"1243112"	247.956385	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Br"	78.918885
"1306656"	250.012372	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Cl+HCOOH"	80.974872
"1323060"	271.994329	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Cl+NaCOOH"	102.956829
"915213"	282.023086	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M-H+CF3COOH"	112.985586
"1290098"	317.999764	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Cl+CF3COOH"	148.962264
"1371175"	134.024824	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H-2H2O"	-35.012676
"1383567"	152.0348	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H-H2O"	-17.0027
"283617"	339.082276	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+H"	1.007276
"680778"	508.119776	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+H"	1.007276
"1357129"	170.044776	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H"	1.007276
"132204"	170.044776	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+2H"	2.014552
"575051"	254.563526	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+2H"	2.014552
"1044944"	85.526026	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2H"	2.014552
"206525"	113.698942666667	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+3H"	3.021828
"650217"	170.044776	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+3H"	3.021828
"1169435"	57.3531093333333	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+3H"	3.021828
"426512"	356.108823	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+NH4"	18.033823
"788599"	525.146323	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+NH4"	18.033823
"1684201"	187.071323	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+NH4"	18.033823
"337216"	178.5580495	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+H+NH4"	19.041099
"730734"	263.0767995	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+H+NH4"	19.041099
"1486741"	94.0392995	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H+NH4"	19.041099
"402143"	361.064218	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+Na"	22.989218
"759855"	530.101718	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+Na"	22.989218
"1615244"	192.026718	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Na"	22.989218
"324553"	181.035747	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+H+Na"	23.996494
"715879"	265.554497	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+H+Na"	23.996494
"1475163"	96.516997	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H+Na"	23.996494
"1065130"	64.6804233333333	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2H+Na"	25.00377
"1270088"	202.070986	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+CH3OH+H"	33.033486
"389394"	377.038158	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+K"	38.963158
"748572"	546.075658	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+K"	38.963158
"1541519"	208.000658	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+K"	38.963158
"303434"	189.022717	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+H+K"	39.970434
"701321"	273.541467	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+H+K"	39.970434
"1452952"	104.503967	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H+K"	39.970434
"242650"	380.108826	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+ACN+H"	42.033826
"1216455"	211.071326	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+ACN+H"	42.033826
"1202525"	106.039301	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+ACN+2H"	43.041102
"195399"	383.04616	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+2Na-H"	44.97116
"638236"	552.08366	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+2Na-H"	44.97116
"1143564"	214.00866	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2Na-H"	44.97116
"186857"	192.026718	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+2Na"	45.978436
"624599"	276.545468	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+2Na"	45.978436
"1128474"	107.507968	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2Na"	45.978436
"1410172"	72.0077373333333	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H+2Na"	46.985712
"1440470"	216.050246	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H+HCOOH"	47.012746
"231987"	197.05974	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+3H2O+2H"	56.04448
"1520414"	230.10229	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+IsoProp+H"	61.06479
"420463"	200.013688	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+Na+K"	61.952376
"780000"	284.532438	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+Na+K"	61.952376
"1676334"	115.494938	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Na+K"	61.952376
"262488"	402.090768	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+ACN+Na"	64.015768
"1232284"	233.053268	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+ACN+Na"	64.015768
"1720076"	233.076793	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+NH4+HCOOH"	64.039293
"1182149"	79.3350513333333	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+3Na"	68.967654
"1656416"	238.032188	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Na+HCOOH"	68.994688
"161088"	414.99404	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+2K-H"	76.91904
"600647"	584.03154	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+2K-H"	76.91904
"1091722"	245.95654	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2K-H"	76.91904
"145258"	208.000658	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"2M+2K"	77.926316
"584818"	292.519408	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"3M+2K"	77.926316
"1075891"	123.481908	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2K"	77.926316
"1106913"	247.971092	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2K+H"	78.933592
"1342205"	248.058707	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+DMSO+H"	79.021207
"1011829"	252.097876	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2ACN+H"	83.060376
"1532142"	253.091508	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+IsoProp+Na+H"	84.054008
"998588"	126.552576	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+2ACN+2H"	84.067652
"1596375"	254.006128	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+K+HCOOH"	84.968628
"1428593"	284.037638	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+H+CF3COOH"	115.000138
"1160946"	147.065851	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+3ACN+2H"	125.094202
"1697866"	301.064185	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+NH4+CF3COOH"	132.026685
"1641903"	306.01958	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+Na+CF3COOH"	136.98208
"1583023"	321.99352	"C18315"	"4-Methyl-5-nitrocatechol"	"C7H7NO4"	"169.0375"	"M+K+CF3COOH"	152.95602
"810108"	138.0317	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M"	0
"983640"	119.01331	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-H2O-H"	-19.01839
"77358"	91.0138573333333	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M-3H"	-3.021828
"517973"	137.024424	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M-3H"	-3.021828
"894231"	45.0032906666667	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-3H"	-3.021828
"14142"	137.024424	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M-2H"	-2.014552
"441916"	206.040274	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M-2H"	-2.014552
"818136"	68.008574	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-2H"	-2.014552
"86276"	275.056124	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M-H"	-1.007276
"531311"	413.087824	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M-H"	-1.007276
"910086"	137.024424	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-H"	-1.007276
"60207"	292.082671	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M-2H+NH4"	16.019271
"499767"	430.114371	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M-2H+NH4"	16.019271
"869915"	154.050971	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-2H+NH4"	16.019271
"38908"	297.038066	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M-2H+Na"	20.974666
"475188"	435.069766	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M-2H+Na"	20.974666
"855177"	159.006366	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-2H+Na"	20.974666
"1619487"	159.006366	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Na-2H"	20.974666
"101241"	155.012763	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M-H+Cl"	33.962126
"537149"	224.028613	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M-H+Cl"	33.962126
"929209"	85.996913	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-H+Cl"	33.962126
"269226"	311.032802	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+Cl"	34.969402
"661768"	449.064502	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+Cl"	34.969402
"1275142"	173.001102	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Cl"	34.969402
"20256"	313.012006	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M-2H+K"	36.948606
"468567"	451.043706	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M-2H+K"	36.948606
"841999"	174.980306	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-2H+K"	36.948606
"1564392"	174.980306	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+K-2H"	36.948606
"952275"	183.029894	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-H+HCOOH"	44.998194
"371583"	321.061601	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+HCOOH-H"	44.998201
"350000"	335.077251	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+Hac-H"	59.013851
"1498837"	197.045551	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Hac-H"	59.013851
"963097"	205.011851	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-H+NaCOOH"	66.980151
"114191"	173.001102	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+2Cl"	69.938804
"552292"	242.016952	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+2Cl"	69.938804
"1024737"	103.985252	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2Cl"	69.938804
"1243950"	216.950585	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Br"	78.918885
"1306400"	219.006572	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Cl+HCOOH"	80.974872
"1322074"	240.988529	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Cl+NaCOOH"	102.956829
"916049"	251.017286	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M-H+CF3COOH"	112.985586
"1292029"	286.993964	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Cl+CF3COOH"	148.962264
"1370555"	103.019024	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H-2H2O"	-35.012676
"1386229"	121.029	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H-H2O"	-17.0027
"285184"	277.070676	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+H"	1.007276
"675823"	415.102376	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+H"	1.007276
"1354684"	139.038976	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H"	1.007276
"127937"	139.038976	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+2H"	2.014552
"574799"	208.054826	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+2H"	2.014552
"1042867"	70.023126	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2H"	2.014552
"209674"	93.0284093333333	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+3H"	3.021828
"654700"	139.038976	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+3H"	3.021828
"1171732"	47.0178426666667	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+3H"	3.021828
"426986"	294.097223	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+NH4"	18.033823
"788710"	432.128923	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+NH4"	18.033823
"1690144"	156.065523	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+NH4"	18.033823
"335504"	147.5522495	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+H+NH4"	19.041099
"731938"	216.5680995	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+H+NH4"	19.041099
"1487944"	78.5363995	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H+NH4"	19.041099
"402253"	299.052618	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+Na"	22.989218
"762153"	437.084318	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+Na"	22.989218
"1612439"	161.020918	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Na"	22.989218
"324663"	150.029947	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+H+Na"	23.996494
"713803"	219.045797	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+H+Na"	23.996494
"1471995"	81.014097	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H+Na"	23.996494
"1060868"	54.3451566666667	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2H+Na"	25.00377
"1268013"	171.065186	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+CH3OH+H"	33.033486
"386589"	315.026558	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+K"	38.963158
"748683"	453.058258	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+K"	38.963158
"1542357"	176.994858	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+K"	38.963158
"304637"	158.016917	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+H+K"	39.970434
"702522"	227.032767	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+H+K"	39.970434
"1460718"	89.001067	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H+K"	39.970434
"246040"	318.097226	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+ACN+H"	42.033826
"1218750"	180.065526	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+ACN+H"	42.033826
"1202632"	90.536401	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+ACN+2H"	43.041102
"198786"	321.03456	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+2Na-H"	44.97116
"637252"	459.06626	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+2Na-H"	44.97116
"1138571"	183.00286	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2Na-H"	44.97116
"186966"	161.020918	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+2Na"	45.978436
"625439"	230.036768	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+2Na"	45.978436
"1129920"	92.005068	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2Na"	45.978436
"1410646"	61.6724706666667	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H+2Na"	46.985712
"1443130"	185.044446	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H+HCOOH"	47.012746
"232461"	166.05394	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+3H2O+2H"	56.04448
"1521616"	199.09649	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+IsoProp+H"	61.06479
"421302"	169.007888	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+Na+K"	61.952376
"781932"	238.023738	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+Na+K"	61.952376
"1676444"	99.992038	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Na+K"	61.952376
"264785"	340.079168	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+ACN+Na"	64.015768
"1234580"	202.047468	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+ACN+Na"	64.015768
"1722372"	202.070993	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+NH4+HCOOH"	64.039293
"1183352"	68.9997846666667	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+3Na"	68.967654
"1652153"	207.026388	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Na+HCOOH"	68.994688
"162292"	352.98244	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+2K-H"	76.91904
"601851"	491.01414	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+2K-H"	76.91904
"1091831"	214.95074	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2K-H"	76.91904
"146461"	176.994858	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"2M+2K"	77.926316
"583834"	246.010708	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"3M+2K"	77.926316
"1071627"	107.979008	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2K"	77.926316
"1100818"	216.965292	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2K+H"	78.933592
"1335991"	217.052907	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+DMSO+H"	79.021207
"1006835"	221.092076	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2ACN+H"	83.060376
"1530063"	222.085708	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+IsoProp+Na+H"	84.054008
"998700"	111.049676	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+2ACN+2H"	84.067652
"1588828"	223.000328	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+K+HCOOH"	84.968628
"1421048"	253.031838	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+H+CF3COOH"	115.000138
"1157898"	131.562951	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+3ACN+2H"	125.094202
"1697612"	270.058385	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+NH4+CF3COOH"	132.026685
"1645293"	275.01378	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+Na+CF3COOH"	136.98208
"1574385"	290.98772	"C18316"	"2-Hydroxy-5-methylquinone;2-Hydroxy-5-methyl-14-benzoquinone"	"C7H6O3"	"138.0317"	"M+K+CF3COOH"	152.95602
"813498"	140.0473	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M"	0
"983750"	121.02891	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H2O-H"	-19.01839
"78159"	92.3575906666667	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-3H"	-3.021828
"518436"	139.040024	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-3H"	-3.021828
"894823"	45.6751573333333	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-3H"	-3.021828
"12307"	139.040024	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H"	-2.014552
"442027"	209.063674	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H"	-2.014552
"819463"	69.016374	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H"	-2.014552
"86386"	279.087324	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-H"	-1.007276
"533121"	419.134624	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-H"	-1.007276
"908128"	139.040024	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H"	-1.007276
"60926"	296.113871	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H+NH4"	16.019271
"500969"	436.161171	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H+NH4"	16.019271
"874399"	156.066571	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H+NH4"	16.019271
"42299"	301.069266	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H+Na"	20.974666
"475662"	441.116566	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H+Na"	20.974666
"855287"	161.021966	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H+Na"	20.974666
"1620204"	161.021966	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na-2H"	20.974666
"98434"	157.028363	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-H+Cl"	33.962126
"535802"	227.052013	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-H+Cl"	33.962126
"929683"	87.004713	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+Cl"	33.962126
"268971"	315.064002	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Cl"	34.969402
"665037"	455.111302	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+Cl"	34.969402
"1277075"	175.016702	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl"	34.969402
"23646"	317.043206	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M-2H+K"	36.948606
"466489"	457.090506	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M-2H+K"	36.948606
"844296"	176.995906	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-2H+K"	36.948606
"1565598"	176.995906	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K-2H"	36.948606
"953479"	185.045494	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+HCOOH"	44.998194
"371694"	325.092801	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+HCOOH-H"	44.998201
"350474"	339.108451	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Hac-H"	59.013851
"1502228"	199.061151	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Hac-H"	59.013851
"964303"	207.027451	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+NaCOOH"	66.980151
"114667"	175.016702	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2Cl"	69.938804
"552770"	245.040352	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2Cl"	69.938804
"1025578"	104.993052	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2Cl"	69.938804
"1244062"	218.966185	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Br"	78.918885
"1309427"	221.022172	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl+HCOOH"	80.974872
"1326194"	243.004129	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl+NaCOOH"	102.956829
"917982"	253.032886	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M-H+CF3COOH"	112.985586
"1295421"	289.009564	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Cl+CF3COOH"	148.962264
"1375768"	105.034624	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H-2H2O"	-35.012676
"1388891"	123.0446	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H-H2O"	-17.0027
"289669"	281.101876	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H"	1.007276
"679904"	421.149176	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H"	1.007276
"1357346"	141.054576	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H"	1.007276
"130235"	141.054576	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2H"	2.014552
"574907"	211.078226	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2H"	2.014552
"1047351"	71.030926	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2H"	2.014552
"208691"	94.3721426666667	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+3H"	3.021828
"654812"	141.054576	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+3H"	3.021828
"1172935"	47.6897093333333	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+3H"	3.021828
"429647"	298.128423	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+NH4"	18.033823
"792828"	438.175723	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+NH4"	18.033823
"1693534"	158.081123	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+NH4"	18.033823
"337436"	149.5678495	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H+NH4"	19.041099
"732048"	219.5914995	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H+NH4"	19.041099
"1488053"	79.5441995	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+NH4"	19.041099
"404550"	303.083818	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Na"	22.989218
"763357"	443.131118	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+Na"	22.989218
"1614737"	163.036518	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na"	22.989218
"325867"	152.045547	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H+Na"	23.996494
"717194"	222.069197	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H+Na"	23.996494
"1473199"	82.021897	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+Na"	23.996494
"1063164"	55.0170233333333	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2H+Na"	25.00377
"1269582"	173.080786	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+CH3OH+H"	33.033486
"387791"	319.057758	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+K"	38.963158
"750981"	459.105058	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+K"	38.963158
"1546476"	179.010458	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K"	38.963158
"306934"	160.032517	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+H+K"	39.970434
"702633"	230.056167	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+H+K"	39.970434
"1459368"	90.008867	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+K"	39.970434
"245057"	322.128426	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+ACN+H"	42.033826
"1218860"	182.081126	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+ACN+H"	42.033826
"1202742"	91.544201	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+ACN+2H"	43.041102
"196710"	325.06576	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2Na-H"	44.97116
"640642"	465.11306	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2Na-H"	44.97116
"1138681"	185.01846	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2Na-H"	44.97116
"179785"	163.036518	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2Na"	45.978436
"624820"	233.060168	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2Na"	45.978436
"1130149"	93.012868	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2Na"	45.978436
"1413431"	62.3443373333333	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+2Na"	46.985712
"1443241"	187.060046	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+HCOOH"	47.012746
"233300"	168.06954	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+3H2O+2H"	56.04448
"1518448"	201.11209	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+IsoProp+H"	61.06479
"420320"	171.023488	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+Na+K"	61.952376
"782409"	241.047138	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+Na+K"	61.952376
"1677649"	100.999838	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na+K"	61.952376
"264896"	344.110368	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+ACN+Na"	64.015768
"1235784"	204.063068	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+ACN+Na"	64.015768
"1723579"	204.086593	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+NH4+HCOOH"	64.039293
"1188930"	69.6716513333333	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+3Na"	68.967654
"1654450"	209.041988	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na+HCOOH"	68.994688
"166774"	357.01364	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2K-H"	76.91904
"605242"	497.06094	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2K-H"	76.91904
"1094129"	216.96634	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2K-H"	76.91904
"147665"	179.010458	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"2M+2K"	77.926316
"589411"	249.034108	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"3M+2K"	77.926316
"1076111"	108.986808	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2K"	77.926316
"1109322"	218.980892	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2K+H"	78.933592
"1341331"	219.068507	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+DMSO+H"	79.021207
"1008768"	223.107676	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2ACN+H"	83.060376
"1530174"	224.101308	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+IsoProp+Na+H"	84.054008
"1000996"	112.057476	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+2ACN+2H"	84.067652
"1589302"	225.015928	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K+HCOOH"	84.968628
"1424440"	255.047438	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+H+CF3COOH"	115.000138
"1156914"	132.570751	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+3ACN+2H"	125.094202
"1697843"	272.073985	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+NH4+CF3COOH"	132.026685
"1645403"	277.02938	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+Na+CF3COOH"	136.98208
"1574495"	293.00332	"C18317"	"245-Trihydroxytoluene"	"C7H8O3"	"140.0473"	"M+K+CF3COOH"	152.95602
"813608"	172.0372	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M"	0
"983860"	153.01881	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-H2O-H"	-19.01839
"74299"	113.684190666667	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M-3H"	-3.021828
"517502"	171.029924	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M-3H"	-3.021828
"894572"	56.3384573333333	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-3H"	-3.021828
"15565"	171.029924	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M-2H"	-2.014552
"441409"	257.048524	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M-2H"	-2.014552
"821033"	85.011324	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-2H"	-2.014552
"82123"	343.067124	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M-H"	-1.007276
"531529"	515.104324	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M-H"	-1.007276
"910183"	171.029924	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-H"	-1.007276
"60424"	360.093671	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M-2H+NH4"	16.019271
"500959"	532.130871	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M-2H+NH4"	16.019271
"872322"	188.056471	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-2H+NH4"	16.019271
"43139"	365.049066	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M-2H+Na"	20.974666
"479782"	537.086266	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M-2H+Na"	20.974666
"860865"	193.011866	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-2H+Na"	20.974666
"1626026"	193.011866	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Na-2H"	20.974666
"101460"	189.018263	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M-H+Cl"	33.962126
"535551"	275.036863	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M-H+Cl"	33.962126
"928337"	102.999663	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-H+Cl"	33.962126
"268351"	379.043802	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+Cl"	34.969402
"663324"	551.081002	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+Cl"	34.969402
"1277916"	207.006602	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Cl"	34.969402
"16219"	381.023006	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M-2H+K"	36.948606
"464412"	553.060206	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M-2H+K"	36.948606
"840027"	208.985806	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-2H+K"	36.948606
"1565704"	208.985806	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+K-2H"	36.948606
"951399"	217.035394	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-H+HCOOH"	44.998194
"365606"	389.072601	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+HCOOH-H"	44.998201
"352044"	403.088251	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+Hac-H"	59.013851
"1503432"	231.051051	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Hac-H"	59.013851
"964777"	239.017351	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-H+NaCOOH"	66.980151
"115506"	207.006602	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+2Cl"	69.938804
"556160"	293.025202	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+2Cl"	69.938804
"1029697"	120.988002	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2Cl"	69.938804
"1245265"	250.956085	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Br"	78.918885
"1307714"	253.012072	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Cl+HCOOH"	80.974872
"1326304"	274.994029	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Cl+NaCOOH"	102.956829
"917728"	285.022786	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M-H+CF3COOH"	112.985586
"1293345"	320.999464	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Cl+CF3COOH"	148.962264
"1373693"	137.024524	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H-2H2O"	-35.012676
"1389002"	155.0345	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H-H2O"	-17.0027
"289050"	345.081676	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+H"	1.007276
"678190"	517.118876	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+H"	1.007276
"1355270"	173.044476	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H"	1.007276
"131439"	173.044476	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+2H"	2.014552
"572103"	259.063076	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+2H"	2.014552
"1041995"	87.025876	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2H"	2.014552
"207343"	115.698742666667	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+3H"	3.021828
"650550"	173.044476	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+3H"	3.021828
"1171952"	58.3530093333333	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+3H"	3.021828
"429758"	362.108223	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+NH4"	18.033823
"790022"	534.145423	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+NH4"	18.033823
"1691457"	190.071023	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+NH4"	18.033823
"335361"	181.5577495	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+H+NH4"	19.041099
"731063"	267.5763495	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+H+NH4"	19.041099
"1488162"	95.5391495	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H+NH4"	19.041099
"400287"	367.063618	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+Na"	22.989218
"760188"	539.100818	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+Na"	22.989218
"1610474"	195.026418	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Na"	22.989218
"321603"	184.035447	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+H+Na"	23.996494
"714024"	270.054047	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+H+Na"	23.996494
"1467845"	98.016847	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H+Na"	23.996494
"1064004"	65.6803233333333	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2H+Na"	25.00377
"1267135"	205.070686	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+CH3OH+H"	33.033486
"385714"	383.037558	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+K"	38.963158
"749995"	555.074758	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+K"	38.963158
"1543302"	211.000358	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+K"	38.963158
"309229"	192.022417	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+H+K"	39.970434
"702744"	278.041017	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+H+K"	39.970434
"1452188"	106.003817	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H+K"	39.970434
"245166"	386.108226	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+ACN+H"	42.033826
"1215691"	214.071026	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+ACN+H"	42.033826
"1202852"	107.539151	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+ACN+2H"	43.041102
"196822"	389.04556	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+2Na-H"	44.97116
"640753"	561.08276	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+2Na-H"	44.97116
"1137698"	217.00836	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2Na-H"	44.97116
"183175"	195.026418	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+2Na"	45.978436
"626024"	281.045018	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+2Na"	45.978436
"1128805"	109.007818	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2Na"	45.978436
"1407584"	73.0076373333333	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H+2Na"	46.985712
"1440795"	219.049946	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H+HCOOH"	47.012746
"233773"	200.05944	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+3H2O+2H"	56.04448
"1521835"	233.10199	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+IsoProp+H"	61.06479
"420430"	203.013388	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+Na+K"	61.952376
"784705"	289.031988	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+Na+K"	61.952376
"1680188"	116.994788	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Na+K"	61.952376
"262093"	408.090168	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+ACN+Na"	64.015768
"1238082"	236.052968	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+ACN+Na"	64.015768
"1722596"	236.076493	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+NH4+HCOOH"	64.039293
"1190137"	80.3349513333333	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+3Na"	68.967654
"1656747"	241.031888	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Na+HCOOH"	68.994688
"165795"	420.99344	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+2K-H"	76.91904
"606447"	593.03064	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+2K-H"	76.91904
"1092056"	248.95624	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2K-H"	76.91904
"149962"	211.000358	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"2M+2K"	77.926316
"585876"	297.018958	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"3M+2K"	77.926316
"1074034"	124.981758	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2K"	77.926316
"1101410"	250.970792	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2K+H"	78.933592
"1344723"	251.058407	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+DMSO+H"	79.021207
"1009973"	255.097576	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2ACN+H"	83.060376
"1534658"	256.091208	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+IsoProp+Na+H"	84.054008
"1000012"	128.052426	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+2ACN+2H"	84.067652
"1592331"	257.005828	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+K+HCOOH"	84.968628
"1420177"	287.037338	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+H+CF3COOH"	115.000138
"1155932"	148.565701	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+3ACN+2H"	125.094202
"1699286"	304.063885	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+NH4+CF3COOH"	132.026685
"1646607"	309.01928	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+Na+CF3COOH"	136.98208
"1583353"	324.99322	"C18318"	"ciscis-24-Dihydroxy-5-methyl-6-oxo-24-hexadienoate"	"C7H8O5"	"172.0372"	"M+K+CF3COOH"	152.95602
"813718"	102.0681	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M"	0
"983970"	83.04971	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-H2O-H"	-19.01839
"77200"	67.038124	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M-3H"	-3.021828
"517243"	101.060824	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M-3H"	-3.021828
"891763"	33.015424	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-3H"	-3.021828
"11433"	101.060824	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M-2H"	-2.014552
"441155"	152.094874	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M-2H"	-2.014552
"821143"	50.026774	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-2H"	-2.014552
"83326"	203.128924	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M-H"	-1.007276
"528355"	305.197024	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M-H"	-1.007276
"909687"	101.060824	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-H"	-1.007276
"60534"	220.155471	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M-2H+NH4"	16.019271
"500097"	322.223571	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M-2H+NH4"	16.019271
"877899"	118.087371	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-2H+NH4"	16.019271
"40332"	225.110866	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M-2H+Na"	20.974666
"484995"	327.178966	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M-2H+Na"	20.974666
"862065"	123.042766	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-2H+Na"	20.974666
"1625043"	123.042766	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Na-2H"	20.974666
"101570"	119.049163	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M-H+Cl"	33.962126
"540038"	170.083213	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M-H+Cl"	33.962126
"935739"	68.015113	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-H+Cl"	33.962126
"276484"	239.105602	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+Cl"	34.969402
"669998"	341.173702	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+Cl"	34.969402
"1276934"	137.037502	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Cl"	34.969402
"23866"	241.084806	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M-2H+K"	36.948606
"464522"	343.152906	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M-2H+K"	36.948606
"840137"	139.016706	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-2H+K"	36.948606
"1565814"	139.016706	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+K-2H"	36.948606
"951509"	147.066294	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-H+HCOOH"	44.998194
"368632"	249.134401	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+HCOOH-H"	44.998201
"348873"	263.150051	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+Hac-H"	59.013851
"1497709"	161.081951	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Hac-H"	59.013851
"966710"	169.048251	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-H+NaCOOH"	66.980151
"114884"	137.037502	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+2Cl"	69.938804
"554812"	188.071552	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+2Cl"	69.938804
"1026164"	86.003452	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2Cl"	69.938804
"1249022"	180.986985	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Br"	78.918885
"1309648"	183.042972	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Cl+HCOOH"	80.974872
"1323498"	205.024929	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Cl+NaCOOH"	102.956829
"915650"	215.053686	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M-H+CF3COOH"	112.985586
"1291630"	251.030364	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Cl+CF3COOH"	148.962264
"1373803"	67.055424	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H-2H2O"	-35.012676
"1386560"	85.0654	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H-H2O"	-17.0027
"284421"	205.143476	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+H"	1.007276
"678300"	307.211576	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+H"	1.007276
"1359754"	103.075376	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H"	1.007276
"131549"	103.075376	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+2H"	2.014552
"572943"	154.109426	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+2H"	2.014552
"1043199"	52.041326	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2H"	2.014552
"208911"	69.052676	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+3H"	3.021828
"653938"	103.075376	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+3H"	3.021828
"1169875"	35.029976	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+3H"	3.021828
"427682"	222.170023	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+NH4"	18.033823
"788675"	324.238123	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+NH4"	18.033823
"1692660"	120.101923	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+NH4"	18.033823
"333285"	111.5886495	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+H+NH4"	19.041099
"730081"	162.6226995	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+H+NH4"	19.041099
"1486087"	60.5545995	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H+NH4"	19.041099
"402582"	227.125418	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+Na"	22.989218
"760296"	329.193518	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+Na"	22.989218
"1612771"	125.057318	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Na"	22.989218
"321715"	114.066347	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+H+Na"	23.996494
"716321"	165.100397	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+H+Na"	23.996494
"1473058"	63.032297	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H+Na"	23.996494
"1063385"	42.35729	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2H+Na"	25.00377
"1267245"	135.101586	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+CH3OH+H"	33.033486
"381448"	243.099358	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+K"	38.963158
"751808"	345.167458	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+K"	38.963158
"1546692"	141.031258	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+K"	38.963158
"312134"	122.053317	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+H+K"	39.970434
"703947"	173.087367	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+H+K"	39.970434
"1454485"	71.019267	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H+K"	39.970434
"243089"	246.170026	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+ACN+H"	42.033826
"1214707"	144.101926	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+ACN+H"	42.033826
"1200775"	72.554601	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+ACN+2H"	43.041102
"198025"	249.10736	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+2Na-H"	44.97116
"639770"	351.17546	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+2Na-H"	44.97116
"1134526"	147.03926	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2Na-H"	44.97116
"180005"	125.057318	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+2Na"	45.978436
"626865"	176.091368	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+2Na"	45.978436
"1128549"	74.023268	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2Na"	45.978436
"1409153"	49.684604	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H+2Na"	46.985712
"1445159"	149.080846	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H+HCOOH"	47.012746
"233520"	130.09034	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+3H2O+2H"	56.04448
"1521945"	163.13289	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+IsoProp+H"	61.06479
"419446"	133.044288	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+Na+K"	61.952376
"784816"	184.078338	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+Na+K"	61.952376
"1676773"	82.010238	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Na+K"	61.952376
"266210"	268.151968	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+ACN+Na"	64.015768
"1239285"	166.083868	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+ACN+Na"	64.015768
"1725986"	166.107393	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+NH4+HCOOH"	64.039293
"1191340"	57.011918	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+3Na"	68.967654
"1656859"	171.062788	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Na+HCOOH"	68.994688
"160801"	281.05524	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+2K-H"	76.91904
"604374"	383.12334	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+2K-H"	76.91904
"1091073"	178.98714	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2K-H"	76.91904
"145701"	141.031258	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"2M+2K"	77.926316
"586353"	192.065308	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"3M+2K"	77.926316
"1076333"	89.997208	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2K"	77.926316
"1105167"	181.001692	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2K+H"	78.933592
"1344836"	181.089307	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+DMSO+H"	79.021207
"1012270"	185.128476	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2ACN+H"	83.060376
"1536955"	186.122108	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+IsoProp+Na+H"	84.054008
"1002309"	93.067876	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+2ACN+2H"	84.067652
"1594627"	187.036728	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+K+HCOOH"	84.968628
"1420287"	217.068238	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+H+CF3COOH"	115.000138
"1154949"	113.581151	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+3ACN+2H"	125.094202
"1700126"	234.094785	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+NH4+CF3COOH"	132.026685
"1646717"	239.05018	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+Na+CF3COOH"	136.98208
"1583463"	255.02412	"C18319"	"2-Methylbutyrate;2-Methylbutyric acid"	"C5H10O2"	"102.0681"	"M+K+CF3COOH"	152.95602
"803987"	152.0586	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M"	0
"974724"	133.04021	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-H2O-H"	-19.01839
"76340"	100.365124	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M-3H"	-3.021828
"515896"	151.051324	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M-3H"	-3.021828
"890780"	49.678924	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-3H"	-3.021828
"11543"	151.051324	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M-2H"	-2.014552
"440331"	227.080624	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M-2H"	-2.014552
"820160"	75.022024	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-2H"	-2.014552
"79903"	303.109924	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M-H"	-1.007276
"527372"	455.168524	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M-H"	-1.007276
"899338"	151.051324	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-H"	-1.007276
"61498"	320.136471	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M-2H+NH4"	16.019271
"499968"	472.195071	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M-2H+NH4"	16.019271
"877647"	168.077871	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-2H+NH4"	16.019271
"38255"	325.091866	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M-2H+Na"	20.974666
"484984"	477.150466	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M-2H+Na"	20.974666
"861811"	173.033266	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-2H+Na"	20.974666
"1627339"	173.033266	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Na-2H"	20.974666
"101680"	169.039663	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M-H+Cl"	33.962126
"540148"	245.068963	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M-H+Cl"	33.962126
"935849"	93.010363	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-H+Cl"	33.962126
"276594"	339.086602	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+Cl"	34.969402
"667922"	491.145202	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+Cl"	34.969402
"1277044"	187.028002	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Cl"	34.969402
"22883"	341.065806	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M-2H+K"	36.948606
"463538"	493.124406	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M-2H+K"	36.948606
"838425"	189.007206	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-2H+K"	36.948606
"1563737"	189.007206	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+K-2H"	36.948606
"945786"	197.056794	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-H+HCOOH"	44.998194
"368742"	349.115401	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+HCOOH-H"	44.998201
"351170"	363.131051	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+Hac-H"	59.013851
"1500370"	211.072451	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Hac-H"	59.013851
"966820"	219.038751	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-H+NaCOOH"	66.980151
"113902"	187.028002	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+2Cl"	69.938804
"556016"	263.057302	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+2Cl"	69.938804
"1027367"	110.998702	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2Cl"	69.938804
"1249496"	230.977485	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Br"	78.918885
"1309758"	233.033472	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Cl+HCOOH"	80.974872
"1320201"	255.015429	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Cl+NaCOOH"	102.956829
"913208"	265.044186	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M-H+CF3COOH"	112.985586
"1292469"	301.020864	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Cl+CF3COOH"	148.962264
"1373913"	117.045924	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H-2H2O"	-35.012676
"1387036"	135.0559	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H-H2O"	-17.0027
"284531"	305.124476	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+H"	1.007276
"677317"	457.183076	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+H"	1.007276
"1358771"	153.065876	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H"	1.007276
"128744"	153.065876	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+2H"	2.014552
"574511"	229.095176	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+2H"	2.014552
"1044039"	77.036576	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2H"	2.014552
"211209"	102.379676	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+3H"	3.021828
"658545"	153.065876	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+3H"	3.021828
"1169986"	51.693476	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+3H"	3.021828
"433259"	322.151023	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+NH4"	18.033823
"794253"	474.209623	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+NH4"	18.033823
"1695323"	170.092423	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+NH4"	18.033823
"333395"	161.5791495	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+H+NH4"	19.041099
"732379"	237.6084495	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+H+NH4"	19.041099
"1489478"	85.5498495	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H+NH4"	19.041099
"403785"	327.106418	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+Na"	22.989218
"762594"	479.165018	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+Na"	22.989218
"1614703"	175.047818	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Na"	22.989218
"322918"	164.056847	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+H+Na"	23.996494
"717160"	240.086147	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+H+Na"	23.996494
"1473168"	88.027547	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H+Na"	23.996494
"1065683"	59.02079	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2H+Na"	25.00377
"1267355"	185.092086	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+CH3OH+H"	33.033486
"382651"	343.080358	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+K"	38.963158
"752038"	495.138958	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+K"	38.963158
"1547896"	191.021758	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+K"	38.963158
"312365"	172.043817	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+H+K"	39.970434
"704058"	248.073117	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+H+K"	39.970434
"1456418"	96.014517	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H+K"	39.970434
"244292"	346.151026	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+ACN+H"	42.033826
"1215908"	194.092426	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+ACN+H"	42.033826
"1203072"	97.549851	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+ACN+2H"	43.041102
"199227"	349.08836	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+2Na-H"	44.97116
"641338"	501.14696	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+2Na-H"	44.97116
"1137552"	197.02976	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2Na-H"	44.97116
"183395"	175.047818	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+2Na"	45.978436
"625154"	251.077118	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+2Na"	45.978436
"1126474"	99.018518	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2Na"	45.978436
"1408535"	66.348104	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H+2Na"	46.985712
"1443204"	199.071346	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H+HCOOH"	47.012746
"230715"	180.08084	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+3H2O+2H"	56.04448
"1520598"	213.12339	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+IsoProp+H"	61.06479
"422837"	183.034788	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+Na+K"	61.952376
"782740"	259.064088	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+Na+K"	61.952376
"1679072"	107.005488	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Na+K"	61.952376
"264497"	368.132968	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+ACN+Na"	64.015768
"1238300"	216.074368	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+ACN+Na"	64.015768
"1725003"	216.097893	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+NH4+HCOOH"	64.039293
"1190356"	73.675418	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+3Na"	68.967654
"1655876"	221.053288	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Na+HCOOH"	68.994688
"159817"	381.03624	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+2K-H"	76.91904
"605577"	533.09484	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+2K-H"	76.91904
"1094464"	228.97764	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2K-H"	76.91904
"144351"	191.021758	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"2M+2K"	77.926316
"588650"	267.051058	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"3M+2K"	77.926316
"1076443"	114.992458	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2K"	77.926316
"1104184"	230.992192	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2K+H"	78.933592
"1346038"	231.079807	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+DMSO+H"	79.021207
"1013474"	235.118976	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2ACN+H"	83.060376
"1535973"	236.112608	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+IsoProp+Na+H"	84.054008
"999139"	118.063126	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+2ACN+2H"	84.067652
"1591457"	237.027228	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+K+HCOOH"	84.968628
"1422584"	267.058738	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+H+CF3COOH"	115.000138
"1153966"	138.576401	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+3ACN+2H"	125.094202
"1699140"	284.085285	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+NH4+CF3COOH"	132.026685
"1642452"	289.04068	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+Na+CF3COOH"	136.98208
"1583573"	305.01462	"C18320"	"4-Amino-2-nitrotoluene"	"C7H8N2O2"	"152.0586"	"M+K+CF3COOH"	152.95602
"804097"	858.5692	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M"	0
"974753"	839.55081	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H2O-H"	-19.01839
"78303"	571.372190666667	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-3H"	-3.021828
"518400"	857.561924	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-3H"	-3.021828
"895142"	285.182457333333	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-3H"	-3.021828
"11653"	857.561924	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H"	-2.014552
"443563"	1286.846524	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H"	-2.014552
"824645"	428.277324	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H"	-2.014552
"83904"	1716.131124	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-H"	-1.007276
"521643"	2574.700324	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-H"	-1.007276
"903096"	857.561924	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H"	-1.007276
"61729"	1733.157671	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+NH4"	16.019271
"493751"	2591.726871	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+NH4"	16.019271
"878610"	874.588471	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+NH4"	16.019271
"45414"	1738.113066	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+Na"	20.974666
"483395"	2596.682266	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+Na"	20.974666
"862287"	879.543866	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+Na"	20.974666
"1626355"	879.543866	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na-2H"	20.974666
"105071"	875.550263	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-H+Cl"	33.962126
"540259"	1304.834863	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-H+Cl"	33.962126
"939240"	446.265663	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+Cl"	33.962126
"278891"	1752.107802	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Cl"	34.969402
"669127"	2610.677002	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Cl"	34.969402
"1280436"	893.538602	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl"	34.969402
"25182"	1754.087006	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M-2H+K"	36.948606
"465836"	2612.656206	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M-2H+K"	36.948606
"839265"	895.517806	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-2H+K"	36.948606
"1564942"	895.517806	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K-2H"	36.948606
"952824"	903.567394	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+HCOOH"	44.998194
"373226"	1762.136601	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+HCOOH-H"	44.998201
"351282"	1776.152251	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Hac-H"	59.013851
"1497929"	917.583051	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Hac-H"	59.013851
"962554"	925.549351	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+NaCOOH"	66.980151
"112190"	893.538602	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Cl"	69.938804
"555397"	1322.823202	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Cl"	69.938804
"1025290"	464.254002	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Cl"	69.938804
"1247419"	937.488085	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Br"	78.918885
"1313878"	939.544072	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+HCOOH"	80.974872
"1325905"	961.526029	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+NaCOOH"	102.956829
"915504"	971.554786	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M-H+CF3COOH"	112.985586
"1295858"	1007.531464	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Cl+CF3COOH"	148.962264
"1377302"	823.556524	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H-2H2O"	-35.012676
"1391518"	841.5665	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H-H2O"	-17.0027
"293391"	1718.145676	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H"	1.007276
"687999"	2576.714876	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H"	1.007276
"1362162"	859.576476	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H"	1.007276
"129583"	859.576476	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2H"	2.014552
"571334"	1288.861076	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2H"	2.014552
"1044509"	430.291876	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2H"	2.014552
"210225"	573.386742666667	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+3H"	3.021828
"658167"	859.576476	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+3H"	3.021828
"1176656"	287.197009333333	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3H"	3.021828
"435557"	1735.172223	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+NH4"	18.033823
"796551"	2593.741423	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+NH4"	18.033823
"1695797"	876.603023	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4"	18.033823
"341161"	868.0897495	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+NH4"	19.041099
"734677"	1297.3743495	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+NH4"	19.041099
"1488497"	438.8051495	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+NH4"	19.041099
"404992"	1740.127618	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Na"	22.989218
"762703"	2598.696818	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Na"	22.989218
"1614451"	881.558418	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na"	22.989218
"327403"	870.567447	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+Na"	23.996494
"721647"	1299.852047	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+Na"	23.996494
"1473277"	441.282847	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+Na"	23.996494
"1066886"	294.524323333333	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2H+Na"	25.00377
"1266373"	891.602686	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+CH3OH+H"	33.033486
"384948"	1756.101558	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+K"	38.963158
"752876"	2614.670758	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+K"	38.963158
"1555061"	897.532358	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K"	38.963158
"311017"	878.554417	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+H+K"	39.970434
"704898"	1307.839017	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+H+K"	39.970434
"1458352"	449.269817	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+K"	39.970434
"243672"	1759.172226	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+ACN+H"	42.033826
"1216021"	900.603026	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+H"	42.033826
"1202091"	450.805151	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+2H"	43.041102
"196060"	1762.10956	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Na-H"	44.97116
"639991"	2620.67876	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Na-H"	44.97116
"1138392"	903.54036	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Na-H"	44.97116
"183142"	881.558418	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2Na"	45.978436
"625261"	1310.843018	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2Na"	45.978436
"1126942"	452.273818	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2Na"	45.978436
"1410468"	301.851637333333	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+2Na"	46.985712
"1442950"	905.581946	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+HCOOH"	47.012746
"232281"	886.59144	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+3H2O+2H"	56.04448
"1519978"	919.63399	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+IsoProp+H"	61.06479
"421487"	889.545388	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+Na+K"	61.952376
"781757"	1318.829988	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+Na+K"	61.952376
"1674809"	460.260788	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+K"	61.952376
"262057"	1781.154168	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+ACN+Na"	64.015768
"1234038"	922.584968	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+ACN+Na"	64.015768
"1719647"	922.608493	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4+HCOOH"	64.039293
"1186092"	309.178951333333	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3Na"	68.967654
"1655986"	927.563888	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+HCOOH"	68.994688
"161749"	1794.05744	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2K-H"	76.91904
"600944"	2652.62664	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2K-H"	76.91904
"1095668"	935.48824	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K-H"	76.91904
"150296"	897.532358	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"2M+2K"	77.926316
"596913"	1326.816958	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"3M+2K"	77.926316
"1083609"	468.247758	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K"	77.926316
"1108669"	937.502792	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2K+H"	78.933592
"1343960"	937.590407	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+DMSO+H"	79.021207
"1011396"	941.629576	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2ACN+H"	83.060376
"1532801"	942.623208	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+IsoProp+Na+H"	84.054008
"1001436"	471.318426	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+2ACN+2H"	84.067652
"1592660"	943.537828	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K+HCOOH"	84.968628
"1421601"	973.569338	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+H+CF3COOH"	115.000138
"1152983"	491.831701	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+3ACN+2H"	125.094202
"1697549"	990.595885	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+NH4+CF3COOH"	132.026685
"1642562"	995.55128	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+Na+CF3COOH"	136.98208
"1583683"	1011.52522	"C18321"	"(2Z6Z10Z14Z18Z22Z26Z30Z34E)-Decaprenyl diphosphate"	"C50H84O7P2"	"858.5692"	"M+K+CF3COOH"	152.95602
"804207"	879.1313	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M"	0
"974580"	860.11291	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H2O-H"	-19.01839
"75825"	585.080257333333	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-3H"	-3.021828
"516115"	878.124024	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-3H"	-3.021828
"886626"	292.036490666667	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-3H"	-3.021828
"11763"	878.124024	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H"	-2.014552
"443673"	1317.689674	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H"	-2.014552
"823662"	438.558374	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H"	-2.014552
"81829"	1757.255324	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H"	-1.007276
"520661"	2636.386624	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H"	-1.007276
"904299"	878.124024	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H"	-1.007276
"62652"	1774.281871	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+NH4"	16.019271
"493861"	2653.413171	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+NH4"	16.019271
"879164"	895.150571	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+NH4"	16.019271
"46500"	1779.237266	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+Na"	20.974666
"486507"	2658.368566	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+Na"	20.974666
"863945"	900.105966	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+Na"	20.974666
"1629745"	900.105966	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na-2H"	20.974666
"107368"	896.112363	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-H+Cl"	33.962126
"548752"	1335.678013	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-H+Cl"	33.962126
"941902"	456.546713	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+Cl"	33.962126
"280824"	1793.232002	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Cl"	34.969402
"674707"	2672.363302	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Cl"	34.969402
"1283827"	914.100702	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl"	34.969402
"28938"	1795.211206	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M-2H+K"	36.948606
"469228"	2674.342506	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M-2H+K"	36.948606
"844845"	916.079906	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-2H+K"	36.948606
"1566148"	916.079906	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K-2H"	36.948606
"954030"	924.129494	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+HCOOH"	44.998194
"372244"	1803.260801	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+HCOOH-H"	44.998201
"355036"	1817.276451	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Hac-H"	59.013851
"1497308"	938.145151	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Hac-H"	59.013851
"962663"	946.111451	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+NaCOOH"	66.980151
"112664"	914.100702	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Cl"	69.938804
"555505"	1353.666352	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Cl"	69.938804
"1023577"	474.535052	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Cl"	69.938804
"1246436"	958.050185	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Br"	78.918885
"1309250"	960.106172	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+HCOOH"	80.974872
"1326015"	982.088129	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+NaCOOH"	102.956829
"919261"	992.116886	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M-H+CF3COOH"	112.985586
"1292690"	1028.093564	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Cl+CF3COOH"	148.962264
"1373038"	844.118624	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-2H2O"	-35.012676
"1386525"	862.1286	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H-H2O"	-17.0027
"288034"	1759.269876	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H"	1.007276
"683734"	2638.401176	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H"	1.007276
"1360085"	880.138576	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H"	1.007276
"131880"	880.138576	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2H"	2.014552
"569619"	1319.704226	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2H"	2.014552
"1042432"	440.572926	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H"	2.014552
"208148"	587.094809333333	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H"	3.021828
"646615"	880.138576	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+3H"	3.021828
"1175309"	294.051042666667	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3H"	3.021828
"436761"	1776.296423	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+NH4"	18.033823
"797391"	2655.427723	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+NH4"	18.033823
"1691899"	897.165123	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4"	18.033823
"336900"	888.6518495	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+NH4"	19.041099
"729319"	1328.2174995	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+NH4"	19.041099
"1485329"	449.0861995	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+NH4"	19.041099
"401821"	1781.251818	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na"	22.989218
"759533"	2660.383118	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na"	22.989218
"1614925"	902.120518	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na"	22.989218
"327511"	891.129547	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+Na"	23.996494
"721025"	1330.695197	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+Na"	23.996494
"1473751"	451.563897	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+Na"	23.996494
"1065174"	301.378356666667	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2H+Na"	25.00377
"1265390"	912.164786	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+CH3OH+H"	33.033486
"383965"	1797.225758	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+K"	38.963158
"754041"	2676.357058	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+K"	38.963158
"1553951"	918.094458	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K"	38.963158
"309306"	899.116517	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+H+K"	39.970434
"698812"	1338.682167	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+H+K"	39.970434
"1454817"	459.550867	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+K"	39.970434
"241960"	1800.296426	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+H"	42.033826
"1217225"	921.165126	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+H"	42.033826
"1204387"	461.086201	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+2H"	43.041102
"199449"	1803.23376	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na-H"	44.97116
"640102"	2682.36506	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na-H"	44.97116
"1138138"	924.10246	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na-H"	44.97116
"182522"	902.120518	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2Na"	45.978436
"626099"	1341.686168	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2Na"	45.978436
"1127416"	462.554868	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2Na"	45.978436
"1409118"	308.705670666667	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+2Na"	46.985712
"1443424"	926.144046	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+HCOOH"	47.012746
"228744"	907.15354	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+3H2O+2H"	56.04448
"1517900"	940.19609	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+H"	61.06479
"420870"	910.107488	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+Na+K"	61.952376
"777491"	1349.673138	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+Na+K"	61.952376
"1674552"	470.541838	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+K"	61.952376
"259249"	1822.278368	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+ACN+Na"	64.015768
"1232689"	943.147068	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+ACN+Na"	64.015768
"1719755"	943.170593	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+HCOOH"	64.039293
"1184017"	316.032984666667	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3Na"	68.967654
"1654273"	948.125988	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+HCOOH"	68.994688
"157971"	1835.18164	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K-H"	76.91904
"597893"	2714.31294	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K-H"	76.91904
"1091404"	956.05034	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K-H"	76.91904
"146033"	918.094458	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"2M+2K"	77.926316
"589967"	1357.660108	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"3M+2K"	77.926316
"1073381"	478.528808	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K"	77.926316
"1103676"	958.064892	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2K+H"	78.933592
"1340789"	958.152507	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+DMSO+H"	79.021207
"1006766"	962.191676	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+H"	83.060376
"1527809"	963.185308	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+IsoProp+Na+H"	84.054008
"996080"	481.599476	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+2ACN+2H"	84.067652
"1589491"	964.099928	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+HCOOH"	84.968628
"1414786"	994.131438	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+H+CF3COOH"	115.000138
"1149813"	502.112751	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+3ACN+2H"	125.094202
"1698270"	1011.157985	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+NH4+CF3COOH"	132.026685
"1634286"	1016.11338	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+Na+CF3COOH"	136.98208
"1583793"	1032.08732	"C18323"	"3-Methylfumaryl-CoA;(E)-3-Carboxybut-2-enoyl-CoA;Mesaconyl-C4-CoA"	"C26H40N7O19P3S"	"879.1313"	"M+K+CF3COOH"	152.95602
"804317"	881.1469	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M"	0
"981130"	862.12851	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H2O-H"	-19.01839
"78048"	586.423990666667	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-3H"	-3.021828
"518215"	880.139624	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-3H"	-3.021828
"895247"	292.708357333333	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-3H"	-3.021828
"10785"	880.139624	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H"	-2.014552
"440503"	1320.713074	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H"	-2.014552
"821585"	439.566174	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H"	-2.014552
"78819"	1761.286524	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-H"	-1.007276
"519066"	2642.433424	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-H"	-1.007276
"904409"	880.139624	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H"	-1.007276
"62717"	1778.313071	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+NH4"	16.019271
"501384"	2659.459971	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+NH4"	16.019271
"878340"	897.166171	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H+NH4"	16.019271
"46605"	1783.268466	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+Na"	20.974666
"484705"	2664.415366	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+Na"	20.974666
"864076"	902.121566	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H+Na"	20.974666
"1626574"	902.121566	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na-2H"	20.974666
"106381"	898.127963	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-H+Cl"	33.962126
"548864"	1338.701413	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-H+Cl"	33.962126
"941770"	457.554513	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+Cl"	33.962126
"279841"	1797.263202	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Cl"	34.969402
"673358"	2678.410102	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+Cl"	34.969402
"1282844"	916.116302	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl"	34.969402
"26862"	1799.242406	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+K"	36.948606
"467880"	2680.389306	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+K"	36.948606
"845684"	918.095506	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-2H+K"	36.948606
"1569172"	918.095506	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K-2H"	36.948606
"955233"	926.145094	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+HCOOH"	44.998194
"373447"	1807.292001	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+HCOOH-H"	44.998201
"356239"	1821.307651	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Hac-H"	59.013851
"1497418"	940.160751	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Hac-H"	59.013851
"965689"	948.127051	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+NaCOOH"	66.980151
"114598"	916.116302	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2Cl"	69.938804
"553793"	1356.689752	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2Cl"	69.938804
"1026604"	475.542852	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2Cl"	69.938804
"1246911"	960.065785	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Br"	78.918885
"1307900"	962.121772	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+HCOOH"	80.974872
"1327220"	984.103729	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+NaCOOH"	102.956829
"917185"	994.132486	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M-H+CF3COOH"	112.985586
"1293164"	1030.109164	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+CF3COOH"	148.962264
"1374243"	846.134224	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H-2H2O"	-35.012676
"1388458"	864.1442	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H-H2O"	-17.0027
"288143"	1763.301076	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H"	1.007276
"680565"	2644.447976	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H"	1.007276
"1359103"	882.154176	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H"	1.007276
"131991"	882.154176	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2H"	2.014552
"571553"	1322.727626	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2H"	2.014552
"1042542"	441.580726	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2H"	2.014552
"209352"	588.438542666667	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+3H"	3.021828
"653286"	882.154176	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+3H"	3.021828
"1174691"	294.722909333333	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+3H"	3.021828
"432499"	1780.327623	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+NH4"	18.033823
"790215"	2661.474523	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+NH4"	18.033823
"1688732"	899.180723	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+NH4"	18.033823
"338104"	890.6674495	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H+NH4"	19.041099
"733803"	1331.2408995	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H+NH4"	19.041099
"1485437"	450.0939995	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+NH4"	19.041099
"400835"	1785.283018	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Na"	22.989218
"762925"	2666.429918	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+Na"	22.989218
"1614306"	904.136118	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na"	22.989218
"323248"	893.145147	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H+Na"	23.996494
"721623"	1333.718597	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H+Na"	23.996494
"1472769"	452.571697	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+Na"	23.996494
"1066015"	302.050223333333	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2H+Na"	25.00377
"1268418"	914.180386	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+CH3OH+H"	33.033486
"385169"	1801.256958	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+K"	38.963158
"753703"	2682.403858	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+K"	38.963158
"1554061"	920.110058	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K"	38.963158
"309417"	901.132117	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+H+K"	39.970434
"702202"	1341.705567	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+H+K"	39.970434
"1457116"	460.558667	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+K"	39.970434
"241342"	1804.327626	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+H"	42.033826
"1216238"	923.180726	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+H"	42.033826
"1205596"	462.094001	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+2H"	43.041102
"200655"	1807.26496	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na-H"	44.97116
"638028"	2688.41186	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na-H"	44.97116
"1141166"	926.11806	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2Na-H"	44.97116
"183363"	904.136118	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na"	45.978436
"625845"	1344.709568	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na"	45.978436
"1127892"	463.562668	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2Na"	45.978436
"1407041"	309.377537333333	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+2Na"	46.985712
"1440982"	928.159646	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+HCOOH"	47.012746
"228490"	909.16914	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+3H2O+2H"	56.04448
"1518010"	942.21169	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+H"	61.06479
"418792"	912.123088	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+Na+K"	61.952376
"776509"	1352.696538	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+Na+K"	61.952376
"1669923"	471.549638	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na+K"	61.952376
"261547"	1826.309568	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+Na"	64.015768
"1232071"	945.162668	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+Na"	64.015768
"1718772"	945.186193	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+HCOOH"	64.039293
"1181573"	316.704851333333	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+3Na"	68.967654
"1654017"	950.141588	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na+HCOOH"	68.994688
"157715"	1839.21284	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2K-H"	76.91904
"599343"	2720.35974	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2K-H"	76.91904
"1094795"	958.06594	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2K-H"	76.91904
"144319"	920.110058	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"2M+2K"	77.926316
"582294"	1360.683508	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"3M+2K"	77.926316
"1070575"	479.536608	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2K"	77.926316
"1103422"	960.080492	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2K+H"	78.933592
"1339806"	960.168107	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+DMSO+H"	79.021207
"1006390"	964.207276	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+H"	83.060376
"1526826"	965.200908	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+Na+H"	84.054008
"991088"	482.607276	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+2H"	84.067652
"1587292"	966.115528	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K+HCOOH"	84.968628
"1421822"	996.147038	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+H+CF3COOH"	115.000138
"1149923"	503.120551	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+3ACN+2H"	125.094202
"1702756"	1013.173585	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+CF3COOH"	132.026685
"1640594"	1018.12898	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+Na+CF3COOH"	136.98208
"1583903"	1034.10292	"C18324"	"(2S)-Methylsuccinyl-CoA;Methylsuccinyl-CoA;Methylsuccinyl-coenzyme A"	"C26H42N7O19P3S"	"881.1469"	"M+K+CF3COOH"	152.95602
"810988"	306.1692	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M"	0
"981240"	287.15081	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-H2O-H"	-19.01839
"77995"	203.105524	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M-3H"	-3.021828
"515614"	305.161924	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M-3H"	-3.021828
"892686"	101.049124	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-3H"	-3.021828
"10897"	305.161924	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M-2H"	-2.014552
"446080"	458.246524	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M-2H"	-2.014552
"824974"	152.077324	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-2H"	-2.014552
"79500"	611.331124	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M-H"	-1.007276
"519909"	917.500324	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M-H"	-1.007276
"897949"	305.161924	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-H"	-1.007276
"48680"	628.357671	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M-2H+NH4"	16.019271
"488973"	934.526871	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M-2H+NH4"	16.019271
"879300"	322.188471	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-2H+NH4"	16.019271
"41972"	633.313066	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M-2H+Na"	20.974666
"483719"	939.482266	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M-2H+Na"	20.974666
"861157"	327.143866	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-2H+Na"	20.974666
"1631054"	327.143866	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Na-2H"	20.974666
"108800"	323.150263	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M-H+Cl"	33.962126
"540587"	476.234863	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M-H+Cl"	33.962126
"941633"	170.065663	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-H+Cl"	33.962126
"279950"	647.307802	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+Cl"	34.969402
"673103"	953.477002	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+Cl"	34.969402
"1282954"	341.138602	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Cl"	34.969402
"29525"	649.287006	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M-2H+K"	36.948606
"467261"	955.456206	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M-2H+K"	36.948606
"845067"	343.117806	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-2H+K"	36.948606
"1566367"	343.117806	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+K-2H"	36.948606
"956439"	351.167394	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-H+HCOOH"	44.998194
"371372"	657.336601	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+HCOOH-H"	44.998201
"355256"	671.352251	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+Hac-H"	59.013851
"1498257"	365.183051	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Hac-H"	59.013851
"965071"	373.149351	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-H+NaCOOH"	66.980151
"116531"	341.138602	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+2Cl"	69.938804
"556093"	494.223202	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+2Cl"	69.938804
"1028172"	188.054002	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2Cl"	69.938804
"1246658"	385.088085	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Br"	78.918885
"1307282"	387.144072	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Cl+HCOOH"	80.974872
"1328424"	409.126029	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Cl+NaCOOH"	102.956829
"917659"	419.154786	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M-H+CF3COOH"	112.985586
"1292911"	455.131464	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Cl+CF3COOH"	148.962264
"1375447"	271.156524	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H-2H2O"	-35.012676
"1390756"	289.1665	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H-H2O"	-17.0027
"288254"	613.345676	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+H"	1.007276
"682863"	919.514876	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+H"	1.007276
"1358120"	307.176476	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H"	1.007276
"131010"	307.176476	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+2H"	2.014552
"572758"	460.261076	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+2H"	2.014552
"1041559"	154.091876	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2H"	2.014552
"205452"	205.120076	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+3H"	3.021828
"647929"	307.176476	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+3H"	3.021828
"1170429"	103.063676	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+3H"	3.021828
"428233"	630.372223	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+NH4"	18.033823
"788136"	936.541423	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+NH4"	18.033823
"1683373"	324.203023	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+NH4"	18.033823
"336025"	315.6897495	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+H+NH4"	19.041099
"728445"	468.7743495	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+H+NH4"	19.041099
"1483360"	162.6051495	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H+NH4"	19.041099
"396573"	635.327618	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+Na"	22.989218
"761941"	941.496818	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+Na"	22.989218
"1610041"	329.158418	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Na"	22.989218
"321171"	318.167447	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+H+Na"	23.996494
"718328"	471.252047	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+H+Na"	23.996494
"1473243"	165.082847	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H+Na"	23.996494
"1061746"	110.39099	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2H+Na"	25.00377
"1261236"	339.202686	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+CH3OH+H"	33.033486
"377866"	651.301558	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+K"	38.963158
"752112"	957.470758	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+K"	38.963158
"1551253"	345.132358	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+K"	38.963158
"306975"	326.154417	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+H+K"	39.970434
"700125"	479.239017	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+H+K"	39.970434
"1453945"	173.069817	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H+K"	39.970434
"241451"	654.372226	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+ACN+H"	42.033826
"1215253"	348.203026	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+ACN+H"	42.033826
"1201327"	174.605151	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+ACN+2H"	43.041102
"201493"	657.30956	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+2Na-H"	44.97116
"639960"	963.47876	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+2Na-H"	44.97116
"1138360"	351.14036	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2Na-H"	44.97116
"183837"	329.158418	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+2Na"	45.978436
"624862"	482.243018	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+2Na"	45.978436
"1124721"	176.073818	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2Na"	45.978436
"1408610"	117.718304	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H+2Na"	46.985712
"1439270"	353.181946	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H+HCOOH"	47.012746
"231881"	334.19144	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+3H2O+2H"	56.04448
"1518124"	367.23399	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+IsoProp+H"	61.06479
"417810"	337.145388	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+Na+K"	61.952376
"777713"	490.229988	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+Na+K"	61.952376
"1671857"	184.060788	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Na+K"	61.952376
"262388"	676.354168	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+ACN+Na"	64.015768
"1232182"	370.184968	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+ACN+Na"	64.015768
"1721069"	370.208493	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+NH4+HCOOH"	64.039293
"1184235"	125.045618	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+3Na"	68.967654
"1654128"	375.163888	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Na+HCOOH"	68.994688
"158072"	689.25744	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+2K-H"	76.91904
"597995"	995.42664	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+2K-H"	76.91904
"1091624"	383.08824	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2K-H"	76.91904
"142971"	345.132358	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"2M+2K"	77.926316
"583625"	498.216958	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"3M+2K"	77.926316
"1074696"	192.047758	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2K"	77.926316
"1104629"	385.102792	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2K+H"	78.933592
"1337731"	385.190407	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+DMSO+H"	79.021207
"1007356"	389.229576	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2ACN+H"	83.060376
"1527668"	390.223208	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+IsoProp+Na+H"	84.054008
"994116"	195.118426	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+2ACN+2H"	84.067652
"1587115"	391.137828	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+K+HCOOH"	84.968628
"1425212"	421.169338	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+H+CF3COOH"	115.000138
"1153314"	215.631701	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+3ACN+2H"	125.094202
"1705054"	438.195885	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+NH4+CF3COOH"	132.026685
"1640704"	443.15128	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+Na+CF3COOH"	136.98208
"1574536"	459.12522	"C18325"	"Feruloylagmatine"	"C15H22N4O3"	"306.1692"	"M+K+CF3COOH"	152.95602
"804537"	234.1368	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M"	0
"981350"	215.11841	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-H2O-H"	-19.01839
"78231"	155.083924	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M-3H"	-3.021828
"517424"	233.129524	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M-3H"	-3.021828
"892430"	77.038324	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-3H"	-3.021828
"14892"	233.129524	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M-2H"	-2.014552
"444002"	350.197924	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M-2H"	-2.014552
"823990"	116.061124	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-2H"	-2.014552
"79610"	467.266324	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M-H"	-1.007276
"521716"	701.403124	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M-H"	-1.007276
"897695"	233.129524	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-H"	-1.007276
"48426"	484.292871	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M-2H+NH4"	16.019271
"489083"	718.429671	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M-2H+NH4"	16.019271
"874181"	250.156071	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-2H+NH4"	16.019271
"42082"	489.248266	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M-2H+Na"	20.974666
"480548"	723.385066	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M-2H+Na"	20.974666
"858351"	255.111466	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-2H+Na"	20.974666
"1631164"	255.111466	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Na-2H"	20.974666
"108546"	251.117863	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M-H+Cl"	33.962126
"543972"	368.186263	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M-H+Cl"	33.962126
"940893"	134.049463	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-H+Cl"	33.962126
"281277"	503.243002	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+Cl"	34.969402
"674423"	737.379802	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+Cl"	34.969402
"1286229"	269.106202	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Cl"	34.969402
"28179"	505.222206	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M-2H+K"	36.948606
"466278"	739.359006	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M-2H+K"	36.948606
"845178"	271.085406	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-2H+K"	36.948606
"1568300"	271.085406	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+K-2H"	36.948606
"956915"	279.134994	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-H+HCOOH"	44.998194
"372575"	513.271801	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+HCOOH-H"	44.998201
"353181"	527.287451	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+Hac-H"	59.013851
"1500920"	293.150651	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Hac-H"	59.013851
"965183"	301.116951	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-H+NaCOOH"	66.980151
"111538"	269.106202	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+2Cl"	69.938804
"552557"	386.174602	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+2Cl"	69.938804
"1024636"	152.037802	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2Cl"	69.938804
"1247496"	313.055685	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Br"	78.918885
"1307392"	315.111672	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Cl+HCOOH"	80.974872
"1326711"	337.093629	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Cl+NaCOOH"	102.956829
"917404"	347.122386	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M-H+CF3COOH"	112.985586
"1293019"	383.099064	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Cl+CF3COOH"	148.962264
"1373369"	199.124124	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H-2H2O"	-35.012676
"1391959"	217.1341	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H-H2O"	-17.0027
"290550"	469.280876	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+H"	1.007276
"681880"	703.417676	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+H"	1.007276
"1359326"	235.144076	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H"	1.007276
"132213"	235.144076	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+2H"	2.014552
"572868"	352.212476	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+2H"	2.014552
"1044949"	118.075676	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2H"	2.014552
"208480"	157.098476	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+3H"	3.021828
"648039"	235.144076	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+3H"	3.021828
"1170539"	79.052876	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+3H"	3.021828
"427250"	486.307423	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+NH4"	18.033823
"786423"	720.444223	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+NH4"	18.033823
"1682752"	252.170623	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+NH4"	18.033823
"333950"	243.6573495	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+H+NH4"	19.041099
"731834"	360.7257495	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+H+NH4"	19.041099
"1481284"	126.5889495	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H+NH4"	19.041099
"396683"	491.262818	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+Na"	22.989218
"758773"	725.399618	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+Na"	22.989218
"1611245"	257.126018	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Na"	22.989218
"321281"	246.135047	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+H+Na"	23.996494
"718439"	363.203447	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+H+Na"	23.996494
"1474081"	129.066647	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H+Na"	23.996494
"1064408"	86.38019	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2H+Na"	25.00377
"1262439"	267.170286	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+CH3OH+H"	33.033486
"382108"	507.236758	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+K"	38.963158
"748575"	741.373558	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+K"	38.963158
"1551363"	273.099958	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+K"	38.963158
"308907"	254.122017	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+H+K"	39.970434
"699869"	371.190417	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+H+K"	39.970434
"1454055"	137.053617	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H+K"	39.970434
"243748"	510.307426	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+ACN+H"	42.033826
"1216456"	276.170626	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+ACN+H"	42.033826
"1201437"	138.588951	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+ACN+2H"	43.041102
"197592"	513.24476	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+2Na-H"	44.97116
"634964"	747.38156	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+2Na-H"	44.97116
"1135188"	279.10796	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2Na-H"	44.97116
"180667"	257.126018	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+2Na"	45.978436
"624972"	374.194418	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+2Na"	45.978436
"1126290"	140.057618	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2Na"	45.978436
"1407627"	93.707504	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H+2Na"	46.985712
"1439015"	281.149546	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H+HCOOH"	47.012746
"225794"	262.15904	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+3H2O+2H"	56.04448
"1519325"	295.20159	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+IsoProp+H"	61.06479
"416826"	265.112988	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+Na+K"	61.952376
"777823"	382.181388	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+Na+K"	61.952376
"1673061"	148.044588	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Na+K"	61.952376
"261769"	532.289368	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+ACN+Na"	64.015768
"1232293"	298.152568	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+ACN+Na"	64.015768
"1718992"	298.176093	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+NH4+HCOOH"	64.039293
"1181065"	101.034818	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+3Na"	68.967654
"1653144"	303.131488	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Na+HCOOH"	68.994688
"160004"	545.19264	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+2K-H"	76.91904
"597742"	779.32944	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+2K-H"	76.91904
"1088816"	311.05584	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2K-H"	76.91904
"142595"	273.099958	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"2M+2K"	77.926316
"582641"	390.168358	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"3M+2K"	77.926316
"1072620"	156.031558	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2K"	77.926316
"1102552"	313.070392	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2K+H"	78.933592
"1337476"	313.158007	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+DMSO+H"	79.021207
"1006737"	317.197176	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2ACN+H"	83.060376
"1527049"	318.190808	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+IsoProp+Na+H"	84.054008
"996413"	159.102226	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+2ACN+2H"	84.067652
"1587429"	319.105428	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+K+HCOOH"	84.968628
"1425322"	349.136938	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+H+CF3COOH"	115.000138
"1153424"	179.615501	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+3ACN+2H"	125.094202
"1705164"	366.163485	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+NH4+CF3COOH"	132.026685
"1640814"	371.11888	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+Na+CF3COOH"	136.98208
"1574282"	387.09282	"C18326"	"p-Coumaroylputrescine"	"C13H18N2O2"	"234.1368"	"M+K+CF3COOH"	152.95602
"811219"	212.0321	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M"	0
"976731"	193.01371	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-H2O-H"	-19.01839
"67526"	140.347457333333	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M-3H"	-3.021828
"508181"	211.024824	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M-3H"	-3.021828
"890357"	69.6700906666667	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-3H"	-3.021828
"5649"	211.024824	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M-2H"	-2.014552
"448492"	317.040874	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M-2H"	-2.014552
"827386"	105.008774	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-2H"	-2.014552
"88472"	423.056924	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M-H"	-1.007276
"531317"	635.089024	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M-H"	-1.007276
"908031"	211.024824	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-H"	-1.007276
"57663"	440.083471	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M-2H+NH4"	16.019271
"498316"	652.115571	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M-2H+NH4"	16.019271
"865792"	228.051371	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-2H+NH4"	16.019271
"40018"	445.038866	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M-2H+Na"	20.974666
"483953"	657.070966	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M-2H+Na"	20.974666
"859569"	233.006766	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-2H+Na"	20.974666
"1630200"	233.006766	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Na-2H"	20.974666
"104541"	229.013163	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M-H+Cl"	33.962126
"546293"	335.029213	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M-H+Cl"	33.962126
"939445"	122.997113	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-H+Cl"	33.962126
"279097"	459.033602	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+Cl"	34.969402
"671883"	671.065702	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+Cl"	34.969402
"1283194"	247.001502	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Cl"	34.969402
"28664"	461.012806	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M-2H+K"	36.948606
"466404"	673.044906	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M-2H+K"	36.948606
"844207"	248.980706	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-2H+K"	36.948606
"1569515"	248.980706	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+K-2H"	36.948606
"954847"	257.030294	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-H+HCOOH"	44.998194
"371603"	469.062401	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+HCOOH-H"	44.998201
"356216"	483.078051	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+Hac-H"	59.013851
"1502132"	271.045951	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Hac-H"	59.013851
"962379"	279.012251	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-H+NaCOOH"	66.980151
"116391"	247.001502	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+2Cl"	69.938804
"555952"	353.017552	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+2Cl"	69.938804
"1026209"	140.985452	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2Cl"	69.938804
"1245425"	290.950985	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Br"	78.918885
"1310059"	293.006972	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Cl+HCOOH"	80.974872
"1326463"	314.988929	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Cl+NaCOOH"	102.956829
"919710"	325.017686	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M-H+CF3COOH"	112.985586
"1298605"	360.994364	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Cl+CF3COOH"	148.962264
"1380779"	177.019424	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H-2H2O"	-35.012676
"1393173"	195.0294	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H-H2O"	-17.0027
"292858"	425.071476	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+H"	1.007276
"683094"	637.103576	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+H"	1.007276
"1360536"	213.039376	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H"	1.007276
"136706"	213.039376	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+2H"	2.014552
"577359"	319.055426	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+2H"	2.014552
"1048345"	107.023326	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2H"	2.014552
"211871"	142.362009333333	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+3H"	3.021828
"650336"	213.039376	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+3H"	3.021828
"1170648"	71.6846426666667	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+3H"	3.021828
"430641"	442.098023	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+NH4"	18.033823
"793821"	654.130123	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+NH4"	18.033823
"1692338"	230.065923	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+NH4"	18.033823
"332236"	221.5526495	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+H+NH4"	19.041099
"725386"	327.5686995	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+H+NH4"	19.041099
"1479569"	115.5365995	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H+NH4"	19.041099
"393877"	447.053418	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+Na"	22.989218
"756698"	659.085518	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+Na"	22.989218
"1617197"	235.021318	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Na"	22.989218
"325774"	224.030347	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+H+Na"	23.996494
"717100"	330.046397	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+H+Na"	23.996494
"1464355"	118.014297	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H+Na"	23.996494
"1064894"	79.0119566666667	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2H+Na"	25.00377
"1263655"	245.065586	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+CH3OH+H"	33.033486
"387337"	463.027358	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+K"	38.963158
"748695"	675.059458	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+K"	38.963158
"1552572"	250.995258	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+K"	38.963158
"307926"	232.017317	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+H+K"	39.970434
"698164"	338.033367	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+H+K"	39.970434
"1450892"	126.001267	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H+K"	39.970434
"242777"	466.098026	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+ACN+H"	42.033826
"1220954"	254.065926	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+ACN+H"	42.033826
"1201556"	127.536601	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+ACN+2H"	43.041102
"201356"	469.03536	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+2Na-H"	44.97116
"638362"	681.06746	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+2Na-H"	44.97116
"1138589"	257.00326	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2Na-H"	44.97116
"178600"	235.021318	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+2Na"	45.978436
"621439"	341.037368	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+2Na"	45.978436
"1126039"	129.005268	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2Na"	45.978436
"1408468"	86.3392706666667	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H+2Na"	46.985712
"1435485"	259.044846	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H+HCOOH"	47.012746
"229191"	240.05434	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+3H2O+2H"	56.04448
"1518347"	273.09689	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+IsoProp+H"	61.06479
"419128"	243.008288	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+Na+K"	61.952376
"777938"	349.024338	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+Na+K"	61.952376
"1675361"	136.992238	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Na+K"	61.952376
"260787"	488.079968	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+ACN+Na"	64.015768
"1229122"	276.047868	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+ACN+Na"	64.015768
"1720194"	276.071393	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+NH4+HCOOH"	64.039293
"1183362"	93.6665846666667	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+3Na"	68.967654
"1658721"	281.026788	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Na+HCOOH"	68.994688
"165582"	500.98324	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+2K-H"	76.91904
"606235"	713.01534	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+2K-H"	76.91904
"1091841"	288.95114	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2K-H"	76.91904
"148658"	250.995258	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"2M+2K"	77.926316
"588218"	357.011308	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"3M+2K"	77.926316
"1070181"	144.979208	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2K"	77.926316
"1102300"	290.965692	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2K+H"	78.933592
"1337346"	291.053307	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+DMSO+H"	79.021207
"1007572"	295.092476	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2ACN+H"	83.060376
"1526066"	296.086108	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+IsoProp+Na+H"	84.054008
"991057"	148.049876	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+2ACN+2H"	84.067652
"1592120"	297.000728	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+K+HCOOH"	84.968628
"1425448"	327.032238	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+H+CF3COOH"	115.000138
"1160843"	168.563151	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+3ACN+2H"	125.094202
"1710756"	344.058785	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+NH4+CF3COOH"	132.026685
"1646406"	349.01418	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+Na+CF3COOH"	136.98208
"1574403"	364.98812	"C18338"	"5-Carboxyvanillic acid;5-Carboxyvanillate;4-Hydroxy-5-methoxy-13-benzenedicarboxylate;4-Hydroxy-5-methoxyisophthalate"	"C9H8O6"	"212.0321"	"M+K+CF3COOH"	152.95602
"811329"	338.0849	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M"	0
"976112"	319.06651	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-H2O-H"	-19.01839
"64719"	224.382657333333	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M-3H"	-3.021828
"505007"	337.077624	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M-3H"	-3.021828
"888280"	111.687690666667	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-3H"	-3.021828
"5759"	337.077624	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M-2H"	-2.014552
"448604"	506.120074	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M-2H"	-2.014552
"825310"	168.035174	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-2H"	-2.014552
"84209"	675.162524	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M-H"	-1.007276
"532398"	1013.247424	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M-H"	-1.007276
"908132"	337.077624	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-H"	-1.007276
"51576"	692.189071	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M-2H+NH4"	16.019271
"493323"	1030.273971	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M-2H+NH4"	16.019271
"864930"	354.104171	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-2H+NH4"	16.019271
"42315"	697.144466	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M-2H+Na"	20.974666
"481876"	1035.229366	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M-2H+Na"	20.974666
"857492"	359.059566	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-2H+Na"	20.974666
"1630310"	359.059566	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Na-2H"	20.974666
"105744"	355.065963	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M-H+Cl"	33.962126
"548957"	524.108413	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M-H+Cl"	33.962126
"939923"	186.023513	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-H+Cl"	33.962126
"281883"	711.139202	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+Cl"	34.969402
"673087"	1049.224102	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+Cl"	34.969402
"1286461"	373.054302	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Cl"	34.969402
"30599"	713.118406	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M-2H+K"	36.948606
"469429"	1051.203306	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M-2H+K"	36.948606
"845410"	375.033506	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-2H+K"	36.948606
"1568533"	375.033506	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+K-2H"	36.948606
"954592"	383.083094	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-H+HCOOH"	44.998194
"372807"	721.168001	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+HCOOH-H"	44.998201
"355597"	735.183651	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+Hac-H"	59.013851
"1503335"	397.098751	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Hac-H"	59.013851
"962126"	405.065051	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-H+NaCOOH"	66.980151
"116501"	373.054302	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+2Cl"	69.938804
"558248"	542.096752	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+2Cl"	69.938804
"1026319"	204.011852	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2Cl"	69.938804
"1246628"	417.003785	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Br"	78.918885
"1311264"	419.059772	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Cl+HCOOH"	80.974872
"1329853"	441.041729	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Cl+NaCOOH"	102.956829
"922006"	451.070486	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M-H+CF3COOH"	112.985586
"1301996"	487.047164	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Cl+CF3COOH"	148.962264
"1381984"	303.072224	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H-2H2O"	-35.012676
"1396564"	321.0822	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H-H2O"	-17.0027
"297342"	677.177076	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+H"	1.007276
"683204"	1015.261976	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+H"	1.007276
"1360648"	339.092176	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H"	1.007276
"139004"	339.092176	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+2H"	2.014552
"577106"	508.134626	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+2H"	2.014552
"1047361"	170.049726	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2H"	2.014552
"210887"	226.397209333333	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+3H"	3.021828
"649353"	339.092176	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+3H"	3.021828
"1171852"	113.702242666667	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+3H"	3.021828
"432939"	694.203623	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+NH4"	18.033823
"795025"	1032.288523	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+NH4"	18.033823
"1692449"	356.118723	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+NH4"	18.033823
"331252"	347.6054495	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+H+NH4"	19.041099
"726589"	516.6478995	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+H+NH4"	19.041099
"1479315"	178.5629995	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H+NH4"	19.041099
"393136"	699.159018	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+Na"	22.989218
"756808"	1037.243918	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+Na"	22.989218
"1617307"	361.074118	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Na"	22.989218
"328072"	350.083147	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+H+Na"	23.996494
"716119"	519.125597	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+H+Na"	23.996494
"1473218"	181.040697	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H+Na"	23.996494
"1059899"	121.029556666667	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2H+Na"	25.00377
"1264859"	371.118386	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+CH3OH+H"	33.033486
"386718"	715.132958	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+K"	38.963158
"747714"	1053.217858	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+K"	38.963158
"1547579"	377.048058	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+K"	38.963158
"306944"	358.070117	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+H+K"	39.970434
"698274"	527.112567	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+H+K"	39.970434
"1449909"	189.027667	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H+K"	39.970434
"241791"	718.203626	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+ACN+H"	42.033826
"1216687"	380.118726	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+ACN+H"	42.033826
"1201666"	190.563001	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+ACN+2H"	43.041102
"196722"	721.14096	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+2Na-H"	44.97116
"639565"	1059.22586	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+2Na-H"	44.97116
"1136511"	383.05606	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2Na-H"	44.97116
"181987"	361.074118	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+2Na"	45.978436
"618267"	530.116568	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+2Na"	45.978436
"1118492"	192.031668	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2Na"	45.978436
"1409672"	128.356870666667	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H+2Na"	46.985712
"1440696"	385.097646	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H+HCOOH"	47.012746
"226020"	366.10714	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+3H2O+2H"	56.04448
"1516271"	399.14969	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+IsoProp+H"	61.06479
"414863"	369.061088	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+Na+K"	61.952376
"775860"	538.103538	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+Na+K"	61.952376
"1670004"	200.018638	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Na+K"	61.952376
"258711"	740.185568	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+ACN+Na"	64.015768
"1229232"	402.100668	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+ACN+Na"	64.015768
"1715932"	402.124193	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+NH4+HCOOH"	64.039293
"1185659"	135.684184666667	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+3Na"	68.967654
"1656645"	407.079588	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Na+HCOOH"	68.994688
"167879"	753.08884	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+2K-H"	76.91904
"603064"	1091.17374	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+2K-H"	76.91904
"1093044"	415.00394	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2K-H"	76.91904
"147674"	377.048058	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"2M+2K"	77.926316
"586141"	546.090508	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"3M+2K"	77.926316
"1071381"	208.005608	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2K"	77.926316
"1103132"	417.018492	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2K+H"	78.933592
"1337694"	417.106107	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+DMSO+H"	79.021207
"1008044"	421.145276	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2ACN+H"	83.060376
"1525448"	422.138908	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+IsoProp+Na+H"	84.054008
"995542"	211.076276	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+2ACN+2H"	84.067652
"1588950"	423.053528	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+K+HCOOH"	84.968628
"1424465"	453.085038	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+H+CF3COOH"	115.000138
"1160220"	231.589551	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+3ACN+2H"	125.094202
"1710866"	470.111585	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+NH4+CF3COOH"	132.026685
"1646516"	475.06698	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+Na+CF3COOH"	136.98208
"1574513"	491.04092	"C18339"	"L-Ascorbic acid-2-glucoside;AA-2G"	"C12H18O11"	"338.0849"	"M+K+CF3COOH"	152.95602
"811439"	277.9678	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M"	0
"976221"	258.94941	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-H2O-H"	-19.01839
"65557"	184.304590666667	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M-3H"	-3.021828
"505481"	276.960524	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M-3H"	-3.021828
"888390"	91.6486573333333	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-3H"	-3.021828
"5869"	276.960524	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M-2H"	-2.014552
"442147"	415.944424	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M-2H"	-2.014552
"824326"	137.976624	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-2H"	-2.014552
"85412"	554.928324	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M-H"	-1.007276
"529346"	832.896124	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M-H"	-1.007276
"908242"	276.960524	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-H"	-1.007276
"60433"	571.954871	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M-2H+NH4"	16.019271
"499991"	849.922671	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M-2H+NH4"	16.019271
"876701"	293.987071	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-2H+NH4"	16.019271
"35853"	576.910266	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M-2H+Na"	20.974666
"483075"	854.878066	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M-2H+Na"	20.974666
"861973"	298.942466	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-2H+Na"	20.974666
"1627128"	298.942466	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Na-2H"	20.974666
"104758"	294.948863	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M-H+Cl"	33.962126
"543229"	433.932763	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M-H+Cl"	33.962126
"940031"	155.964963	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-H+Cl"	33.962126
"281993"	590.905002	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+Cl"	34.969402
"673076"	868.872802	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+Cl"	34.969402
"1287950"	312.937202	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Cl"	34.969402
"30910"	592.884206	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M-2H+K"	36.948606
"470267"	870.852006	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M-2H+K"	36.948606
"846975"	314.916406	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-2H+K"	36.948606
"1567915"	314.916406	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+K-2H"	36.948606
"955432"	322.965994	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-H+HCOOH"	44.998194
"371825"	600.933801	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+HCOOH-H"	44.998201
"354614"	614.949451	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+Hac-H"	59.013851
"1502351"	336.981651	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Hac-H"	59.013851
"963328"	344.947951	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-H+NaCOOH"	66.980151
"117704"	312.937202	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+2Cl"	69.938804
"553982"	451.921102	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+2Cl"	69.938804
"1026065"	173.953302	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2Cl"	69.938804
"1246738"	356.886685	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Br"	78.918885
"1312467"	358.942672	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Cl+HCOOH"	80.974872
"1332150"	380.924629	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Cl+NaCOOH"	102.956829
"921023"	390.953386	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M-H+CF3COOH"	112.985586
"1302106"	426.930064	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Cl+CF3COOH"	148.962264
"1381365"	242.955124	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H-2H2O"	-35.012676
"1396309"	260.9651	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H-H2O"	-17.0027
"296358"	556.942876	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+H"	1.007276
"687324"	834.910676	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+H"	1.007276
"1360758"	278.975076	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H"	1.007276
"135831"	278.975076	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+2H"	2.014552
"577216"	417.958976	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+2H"	2.014552
"1048564"	139.991176	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2H"	2.014552
"208810"	186.319142666667	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+3H"	3.021828
"652744"	278.975076	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+3H"	3.021828
"1174149"	93.6632093333333	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+3H"	3.021828
"430862"	573.969423	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+NH4"	18.033823
"794044"	851.937223	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+NH4"	18.033823
"1692561"	296.001623	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+NH4"	18.033823
"333185"	287.4883495	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+H+NH4"	19.041099
"727792"	426.4722495	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+H+NH4"	19.041099
"1481976"	148.5044495	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H+NH4"	19.041099
"393367"	578.924818	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+Na"	22.989218
"763480"	856.892618	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+Na"	22.989218
"1614865"	300.957018	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Na"	22.989218
"328789"	289.966047	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+H+Na"	23.996494
"714043"	428.949947	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+H+Na"	23.996494
"1470048"	150.982147	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H+Na"	23.996494
"1057821"	100.990523333333	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2H+Na"	25.00377
"1261690"	311.001286	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+CH3OH+H"	33.033486
"380267"	594.898758	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+K"	38.963158
"744544"	872.866558	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+K"	38.963158
"1546599"	316.930958	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+K"	38.963158
"304870"	297.953017	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+H+K"	39.970434
"698385"	436.936917	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+H+K"	39.970434
"1452205"	158.969117	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H+K"	39.970434
"239347"	597.969426	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+ACN+H"	42.033826
"1214611"	320.001626	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+ACN+H"	42.033826
"1203963"	160.504451	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+ACN+2H"	43.041102
"195739"	600.90676	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+2Na-H"	44.97116
"638582"	878.87456	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+2Na-H"	44.97116
"1140996"	322.93896	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2Na-H"	44.97116
"178817"	300.957018	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+2Na"	45.978436
"619469"	439.940918	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+2Na"	45.978436
"1120789"	161.973118	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2Na"	45.978436
"1409782"	108.317837333333	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H+2Na"	46.985712
"1439713"	324.980546	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H+HCOOH"	47.012746
"231600"	305.99004	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+3H2O+2H"	56.04448
"1518569"	339.03259	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+IsoProp+H"	61.06479
"414973"	308.943988	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+Na+K"	61.952376
"778158"	447.927888	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+Na+K"	61.952376
"1674487"	169.960088	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Na+K"	61.952376
"259914"	619.951368	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+ACN+Na"	64.015768
"1231530"	341.983568	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+ACN+Na"	64.015768
"1719323"	342.007093	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+NH4+HCOOH"	64.039293
"1185769"	115.645151333333	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+3Na"	68.967654
"1657849"	346.962488	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Na+HCOOH"	68.994688
"167990"	632.85464	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+2K-H"	76.91904
"608642"	910.82244	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+2K-H"	76.91904
"1090968"	354.88684	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2K-H"	76.91904
"144504"	316.930958	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"2M+2K"	77.926316
"584429"	455.914858	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"3M+2K"	77.926316
"1071126"	177.947058	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2K"	77.926316
"1103969"	356.901392	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2K+H"	78.933592
"1337925"	356.989007	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+DMSO+H"	79.021207
"1008523"	361.028176	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2ACN+H"	83.060376
"1528113"	362.021808	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+IsoProp+Na+H"	84.054008
"995652"	181.017726	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+2ACN+2H"	84.067652
"1588086"	362.936428	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+K+HCOOH"	84.968628
"1428586"	392.967938	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+H+CF3COOH"	115.000138
"1161428"	201.531001	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+3ACN+2H"	125.094202
"1710979"	409.994485	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+NH4+CF3COOH"	132.026685
"1646626"	414.94988	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+Na+CF3COOH"	136.98208
"1574623"	430.92382	"C18340"	"Magnesium L-ascorbic acid-2-phosphate;VC-PMG;AP"	"C6H7O9PMg"	"277.9678"	"M+K+CF3COOH"	152.95602
"804988"	324.9677	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M"	0
"976331"	305.94931	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-H2O-H"	-19.01839
"63193"	215.637857333333	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M-3H"	-3.021828
"503642"	323.960424	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M-3H"	-3.021828
"879983"	107.315290666667	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-3H"	-3.021828
"2"	323.960424	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M-2H"	-2.014552
"440231"	486.444274	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M-2H"	-2.014552
"817504"	161.476574	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-2H"	-2.014552
"78873"	648.928124	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M-H"	-1.007276
"522895"	973.895824	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M-H"	-1.007276
"898509"	323.960424	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-H"	-1.007276
"61513"	665.954671	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M-2H+NH4"	16.019271
"497914"	990.922371	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M-2H+NH4"	16.019271
"871343"	340.986971	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-2H+NH4"	16.019271
"35964"	670.910066	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M-2H+Na"	20.974666
"482092"	995.877766	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M-2H+Na"	20.974666
"857707"	345.942366	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-2H+Na"	20.974666
"1627238"	345.942366	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Na-2H"	20.974666
"103775"	341.948763	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M-H+Cl"	33.962126
"542246"	504.432613	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M-H+Cl"	33.962126
"941234"	179.464913	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-H+Cl"	33.962126
"281979"	684.904802	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+Cl"	34.969402
"674036"	1009.872502	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+Cl"	34.969402
"1285708"	359.937102	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Cl"	34.969402
"29357"	686.884006	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M-2H+K"	36.948606
"466732"	1011.851706	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M-2H+K"	36.948606
"844532"	361.916306	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-2H+K"	36.948606
"1568752"	361.916306	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+K-2H"	36.948606
"953720"	369.965894	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-H+HCOOH"	44.998194
"371935"	694.933601	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+HCOOH-H"	44.998201
"355817"	708.949251	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+Hac-H"	59.013851
"1504647"	383.981551	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Hac-H"	59.013851
"962709"	391.947851	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-H+NaCOOH"	66.980151
"115627"	359.937102	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+2Cl"	69.938804
"554457"	522.420952	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+2Cl"	69.938804
"1024713"	197.453252	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2Cl"	69.938804
"1246848"	403.886585	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Br"	78.918885
"1310390"	405.942572	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Cl+HCOOH"	80.974872
"1323513"	427.924529	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Cl+NaCOOH"	102.956829
"918946"	437.953286	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M-H+CF3COOH"	112.985586
"1299665"	473.929964	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Cl+CF3COOH"	148.962264
"1381109"	289.955024	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H-2H2O"	-35.012676
"1397148"	307.965	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H-H2O"	-17.0027
"296468"	650.942676	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+H"	1.007276
"687798"	975.910376	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+H"	1.007276
"1360867"	325.974976	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H"	1.007276
"134848"	325.974976	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+2H"	2.014552
"575500"	488.458826	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+2H"	2.014552
"1043206"	163.491126	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2H"	2.014552
"207097"	217.652409333333	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+3H"	3.021828
"652854"	325.974976	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+3H"	3.021828
"1172072"	109.329842666667	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+3H"	3.021828
"435345"	667.969223	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+NH4"	18.033823
"796341"	992.936923	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+NH4"	18.033823
"1693400"	343.001523	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+NH4"	18.033823
"332203"	334.4882495	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+H+NH4"	19.041099
"728995"	496.9720995	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+H+NH4"	19.041099
"1479536"	172.0043995	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H+NH4"	19.041099
"394938"	672.924618	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+Na"	22.989218
"763590"	997.892318	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+Na"	22.989218
"1614974"	347.956918	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Na"	22.989218
"329629"	336.965947	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+H+Na"	23.996494
"713059"	499.449797	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+H+Na"	23.996494
"1467973"	174.482097	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H+Na"	23.996494
"1057931"	116.657156666667	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2H+Na"	25.00377
"1261799"	358.001186	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+CH3OH+H"	33.033486
"382563"	688.898558	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+K"	38.963158
"746839"	1013.866258	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+K"	38.963158
"1547802"	363.930858	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+K"	38.963158
"306070"	344.952917	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+H+K"	39.970434
"696304"	507.436767	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+H+K"	39.970434
"1452309"	182.469067	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H+K"	39.970434
"240917"	691.969226	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+ACN+H"	42.033826
"1212894"	367.001526	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+ACN+H"	42.033826
"1199699"	184.004401	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+ACN+2H"	43.041102
"192568"	694.90656	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+2Na-H"	44.97116
"636505"	1019.87426	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+2Na-H"	44.97116
"1142199"	369.93886	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2Na-H"	44.97116
"182207"	347.956918	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+2Na"	45.978436
"616299"	510.440768	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+2Na"	45.978436
"1120170"	185.473068	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2Na"	45.978436
"1408799"	123.984470666667	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H+2Na"	46.985712
"1443103"	371.980446	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H+HCOOH"	47.012746
"232075"	352.98994	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+3H2O+2H"	56.04448
"1520137"	386.03249	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+IsoProp+H"	61.06479
"415083"	355.943888	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+Na+K"	61.952376
"777175"	518.427738	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+Na+K"	61.952376
"1672411"	193.460038	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Na+K"	61.952376
"260024"	713.951168	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+ACN+Na"	64.015768
"1231640"	388.983468	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+ACN+Na"	64.015768
"1718340"	389.006993	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+NH4+HCOOH"	64.039293
"1188066"	131.311784666667	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+3Na"	68.967654
"1659053"	393.962388	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Na+HCOOH"	68.994688
"163726"	726.85444	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+2K-H"	76.91904
"605473"	1051.82214	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+2K-H"	76.91904
"1091078"	401.88674	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2K-H"	76.91904
"144614"	363.930858	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"2M+2K"	77.926316
"585269"	526.414708	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"3M+2K"	77.926316
"1071235"	201.447008	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2K"	77.926316
"1103716"	403.901292	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2K+H"	78.933592
"1339735"	403.988907	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+DMSO+H"	79.021207
"1008629"	408.028076	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2ACN+H"	83.060376
"1527494"	409.021708	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+IsoProp+Na+H"	84.054008
"993576"	204.517676	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+2ACN+2H"	84.067652
"1589171"	409.936328	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+K+HCOOH"	84.968628
"1428332"	439.967838	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+H+CF3COOH"	115.000138
"1161901"	225.030951	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+3ACN+2H"	125.094202
"1711819"	456.994385	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+NH4+CF3COOH"	132.026685
"1646736"	461.94978	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+Na+CF3COOH"	136.98208
"1574733"	477.92372	"C18341"	"Sodium L-ascorbic acid 2-phosphate;VCP-NA"	"C6H9O9P3Na"	"324.9677"	"M+K+CF3COOH"	152.95602
"805098"	204.0634	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M"	0
"974984"	185.04501	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-H2O-H"	-19.01839
"62917"	135.034990666667	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M-3H"	-3.021828
"503266"	203.056124	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M-3H"	-3.021828
"880029"	67.0138573333333	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-3H"	-3.021828
"375"	203.056124	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M-2H"	-2.014552
"440423"	305.087824	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M-2H"	-2.014552
"818585"	101.024424	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-2H"	-2.014552
"79064"	407.119524	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M-H"	-1.007276
"523005"	611.182924	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M-H"	-1.007276
"897526"	203.056124	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-H"	-1.007276
"60530"	424.146071	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M-2H+NH4"	16.019271
"498024"	628.209471	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M-2H+NH4"	16.019271
"871453"	220.082671	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-2H+NH4"	16.019271
"36074"	429.101466	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M-2H+Na"	20.974666
"481109"	633.164866	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M-2H+Na"	20.974666
"858910"	225.038066	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-2H+Na"	20.974666
"1625162"	225.038066	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Na-2H"	20.974666
"102791"	221.044463	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M-H+Cl"	33.962126
"543449"	323.076163	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M-H+Cl"	33.962126
"932589"	119.012763	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-H+Cl"	33.962126
"271146"	443.096202	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+Cl"	34.969402
"669036"	647.159602	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+Cl"	34.969402
"1281440"	239.032802	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Cl"	34.969402
"27282"	445.075406	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M-2H+K"	36.948606
"470607"	649.138806	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M-2H+K"	36.948606
"844640"	241.012006	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-2H+K"	36.948606
"1568130"	241.012006	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+K-2H"	36.948606
"952733"	249.061594	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-H+HCOOH"	44.998194
"374230"	453.125001	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+HCOOH-H"	44.998201
"354831"	467.140651	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+Hac-H"	59.013851
"1500382"	263.077251	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Hac-H"	59.013851
"960632"	271.043551	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-H+NaCOOH"	66.980151
"115737"	239.032802	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+2Cl"	69.938804
"553110"	341.064502	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+2Cl"	69.938804
"1024457"	137.001102	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2Cl"	69.938804
"1246958"	282.982285	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Br"	78.918885
"1313780"	285.038272	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Cl+HCOOH"	80.974872
"1330183"	307.020229	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Cl+NaCOOH"	102.956829
"926591"	317.048986	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M-H+CF3COOH"	112.985586
"1303790"	353.025664	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Cl+CF3COOH"	148.962264
"1382520"	169.050724	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H-2H2O"	-35.012676
"1396895"	187.0607	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H-H2O"	-17.0027
"296214"	409.134076	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+H"	1.007276
"689002"	613.197476	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+H"	1.007276
"1363164"	205.070676	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H"	1.007276
"138238"	205.070676	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+2H"	2.014552
"577797"	307.102376	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+2H"	2.014552
"1045503"	103.038976	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2H"	2.014552
"207937"	137.049542666667	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+3H"	3.021828
"658067"	205.070676	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+3H"	3.021828
"1174369"	69.0284093333333	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+3H"	3.021828
"437642"	426.160623	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+NH4"	18.033823
"799003"	630.224023	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+NH4"	18.033823
"1694605"	222.097223	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+NH4"	18.033823
"335593"	213.5839495	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+H+NH4"	19.041099
"730200"	315.6156495	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+H+NH4"	19.041099
"1480009"	111.5522495	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H+NH4"	19.041099
"395044"	431.116018	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+Na"	22.989218
"763700"	635.179418	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+Na"	22.989218
"1615083"	227.052618	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Na"	22.989218
"327306"	216.061647	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+H+Na"	23.996494
"713168"	318.093347	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+H+Na"	23.996494
"1467351"	114.029947	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H+Na"	23.996494
"1064608"	76.3557233333333	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2H+Na"	25.00377
"1267376"	237.096886	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+CH3OH+H"	33.033486
"378660"	447.089958	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+K"	38.963158
"741114"	651.153358	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+K"	38.963158
"1544628"	243.026558	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+K"	38.963158
"305084"	224.048617	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+H+K"	39.970434
"694227"	326.080317	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+H+K"	39.970434
"1449139"	122.016917	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H+K"	39.970434
"241026"	450.160626	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+ACN+H"	42.033826
"1210208"	246.097226	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+ACN+H"	42.033826
"1198350"	123.552251	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+ACN+2H"	43.041102
"190126"	453.09796	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+2Na-H"	44.97116
"633696"	657.16136	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+2Na-H"	44.97116
"1140852"	249.03456	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2Na-H"	44.97116
"178307"	227.052618	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+2Na"	45.978436
"614950"	329.084318	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+2Na"	45.978436
"1121373"	125.020918	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2Na"	45.978436
"1404168"	83.6830373333333	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H+2Na"	46.985712
"1436651"	251.076146	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H+HCOOH"	47.012746
"231818"	232.08564	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+3H2O+2H"	56.04448
"1518789"	265.12819	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+IsoProp+H"	61.06479
"412641"	235.039588	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+Na+K"	61.952376
"777284"	337.071288	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+Na+K"	61.952376
"1672520"	133.007888	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Na+K"	61.952376
"255031"	472.142568	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+ACN+Na"	64.015768
"1232843"	268.079168	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+ACN+Na"	64.015768
"1718452"	268.102693	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+NH4+HCOOH"	64.039293
"1184897"	91.0103513333333	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+3Na"	68.967654
"1655883"	273.058088	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Na+HCOOH"	68.994688
"158491"	485.04584	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+2K-H"	76.91904
"600116"	689.10924	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+2K-H"	76.91904
"1086816"	280.98244	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2K-H"	76.91904
"144725"	243.026558	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"2M+2K"	77.926316
"584287"	345.058258	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"3M+2K"	77.926316
"1069525"	140.994858	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2K"	77.926316
"1104191"	282.996992	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2K+H"	78.933592
"1338390"	283.084607	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+DMSO+H"	79.021207
"1010198"	287.123776	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2ACN+H"	83.060376
"1525414"	288.117408	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+IsoProp+Na+H"	84.054008
"993686"	144.065526	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+2ACN+2H"	84.067652
"1588187"	289.032028	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+K+HCOOH"	84.968628
"1429765"	319.063538	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+H+CF3COOH"	115.000138
"1161647"	164.578801	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+3ACN+2H"	125.094202
"1711564"	336.090085	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+NH4+CF3COOH"	132.026685
"1646846"	341.04548	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+Na+CF3COOH"	136.98208
"1574843"	357.01942	"C18342"	"3-O-Ethyl-L-ascorbic acid;L-Ascorbic acid ethyl ester"	"C8H12O6"	"204.0634"	"M+K+CF3COOH"	152.95602
"805208"	166.0994	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M"	0
"976552"	147.08101	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"63100"	109.725657333333	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"503211"	165.092124	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"880331"	54.3591906666667	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"969"	165.092124	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"440532"	248.141824	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"817967"	82.042424	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"80632"	331.191524	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"522018"	497.290924	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"896176"	165.092124	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"48731"	348.218071	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"492666"	514.317471	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"871563"	182.118671	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"36184"	353.173466	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"481219"	519.272866	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"860113"	187.074066	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1626366"	187.074066	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"100715"	183.080463	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"544652"	266.130163	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"932700"	100.030763	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"274538"	367.168202	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"669146"	533.267602	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1284831"	201.068802	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"26298"	369.147406	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"468773"	535.246806	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"841470"	203.048006	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1561680"	203.048006	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"947375"	211.097594	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"368871"	377.197001	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"354941"	391.212651	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1497212"	225.113251	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"960740"	233.079551	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"112567"	201.068802	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"552852"	284.118502	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1024569"	118.019102	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1247068"	245.018285	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1313890"	247.074272	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1331387"	269.056229	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"926580"	279.084986	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1303293"	315.061664	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1381695"	131.086724	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1396522"	149.0967	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"295595"	333.206076	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"690856"	499.305476	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1363273"	167.106676	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"136161"	167.106676	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"573533"	250.156376	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1045613"	84.056976	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"209140"	111.740209333333	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"655992"	167.106676	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1173388"	56.3737426666667	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"435565"	350.232623	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"797655"	516.332023	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1695081"	184.133223	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"333517"	175.6199495	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"731401"	258.6696495	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1481945"	92.5702495	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"394305"	355.188018	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"763810"	521.287418	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1615923"	189.088618	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"326324"	178.097647	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"712185"	261.147347	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1467098"	95.047947	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1064718"	63.7010566666667	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1266393"	199.132886	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"378770"	371.161958	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"740860"	537.261358	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1541091"	205.062558	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"300091"	186.084617	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"692153"	269.134317	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1446337"	103.034917	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"238223"	374.232626	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1212751"	208.133226	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1195907"	104.570251	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"192059"	377.16996	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"632713"	543.26936	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1136953"	211.07056	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"175500"	189.088618	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"616883"	272.138318	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1119661"	106.038918	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1400269"	71.0283706666667	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1435668"	213.112146	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"230835"	194.12164	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1519992"	227.16419	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"419677"	197.075588	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"780674"	280.125288	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1677004"	114.025888	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"254777"	396.214568	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1232953"	230.115168	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1718562"	230.138693	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1188288"	78.3556846666667	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1655995"	235.094088	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"165040"	409.11784	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"602413"	575.21724	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1089113"	243.01844	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"143741"	205.062558	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"586583"	288.112258	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1070728"	122.012858	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1103210"	245.032992	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1340687"	245.120607	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1009579"	249.159776	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1528441"	250.153408	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"994890"	125.083526	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1589391"	251.068028	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1429842"	281.099538	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1162717"	145.596801	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1711308"	298.126085	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1640396"	303.08148	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1574953"	319.05542	"C18343"	"4-n-Butylresorcinol;Rucinol (TN)"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"815161"	391.027	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M"	0
"985413"	372.00861	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-H2O-H"	-19.01839
"71468"	259.677390666667	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M-3H"	-3.021828
"513216"	390.019724	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M-3H"	-3.021828
"885550"	129.335057333333	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-3H"	-3.021828
"5217"	390.019724	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M-2H"	-2.014552
"443679"	585.533224	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M-2H"	-2.014552
"819298"	194.506224	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-2H"	-2.014552
"84759"	781.046724	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M-H"	-1.007276
"528693"	1172.073724	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M-H"	-1.007276
"899934"	390.019724	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-H"	-1.007276
"52122"	798.073271	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M-2H+NH4"	16.019271
"489496"	1189.100271	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M-2H+NH4"	16.019271
"870580"	407.046271	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-2H+NH4"	16.019271
"36295"	803.028666	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M-2H+Na"	20.974666
"482426"	1194.055666	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M-2H+Na"	20.974666
"860223"	412.001666	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-2H+Na"	20.974666
"1626483"	412.001666	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Na-2H"	20.974666
"103012"	408.008063	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M-H+Cl"	33.962126
"544762"	603.521563	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M-H+Cl"	33.962126
"933905"	212.494563	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-H+Cl"	33.962126
"280852"	817.023402	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+Cl"	34.969402
"672542"	1208.050402	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+Cl"	34.969402
"1286037"	425.996402	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Cl"	34.969402
"29568"	819.002606	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M-2H+K"	36.948606
"468155"	1210.029606	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M-2H+K"	36.948606
"837209"	427.975606	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-2H+K"	36.948606
"1569325"	427.975606	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+K-2H"	36.948606
"958444"	436.025194	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-H+HCOOH"	44.998194
"376274"	827.052201	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+HCOOH-H"	44.998201
"360526"	841.067851	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+Hac-H"	59.013851
"1504618"	450.040851	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Hac-H"	59.013851
"970338"	458.007151	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-H+NaCOOH"	66.980151
"123254"	425.996402	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+2Cl"	69.938804
"560990"	621.509902	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+2Cl"	69.938804
"1029789"	230.482902	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2Cl"	69.938804
"1250460"	469.945885	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Br"	78.918885
"1316191"	472.001872	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Cl+HCOOH"	80.974872
"1327125"	493.983829	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Cl+NaCOOH"	102.956829
"925598"	504.012586	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M-H+CF3COOH"	112.985586
"1302429"	539.989264	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Cl+CF3COOH"	148.962264
"1381325"	356.014324	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H-2H2O"	-35.012676
"1397116"	374.0243	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H-H2O"	-17.0027
"296802"	783.061276	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+H"	1.007276
"691131"	1174.088276	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+H"	1.007276
"1366867"	392.034276	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H"	1.007276
"141206"	392.034276	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+2H"	2.014552
"580940"	587.547776	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+2H"	2.014552
"1052580"	196.520776	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2H"	2.014552
"219094"	261.691942666667	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+3H"	3.021828
"655374"	392.034276	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+3H"	3.021828
"1172405"	131.349609333333	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+3H"	3.021828
"432397"	800.087823	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+NH4"	18.033823
"793391"	1191.114823	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+NH4"	18.033823
"1689722"	409.060823	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+NH4"	18.033823
"335814"	400.5475495	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+H+NH4"	19.041099
"732612"	596.0610495	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+H+NH4"	19.041099
"1488621"	205.0340495	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H+NH4"	19.041099
"408078"	805.043218	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+Na"	22.989218
"769028"	1196.070218	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+Na"	22.989218
"1609838"	414.016218	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Na"	22.989218
"328619"	403.025247	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+H+Na"	23.996494
"719947"	598.538747	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+H+Na"	23.996494
"1473767"	207.511747	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H+Na"	23.996494
"1065918"	138.676923333333	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2H+Na"	25.00377
"1265410"	424.060486	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+CH3OH+H"	33.033486
"385078"	821.017158	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+K"	38.963158
"744987"	1212.044158	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+K"	38.963158
"1547042"	429.990158	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+K"	38.963158
"307500"	411.012217	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+H+K"	39.970434
"695543"	606.525717	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+H+K"	39.970434
"1448273"	215.498717	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H+K"	39.970434
"239062"	824.087826	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+ACN+H"	42.033826
"1214323"	433.060826	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+ACN+H"	42.033826
"1204404"	217.034051	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+ACN+2H"	43.041102
"198368"	827.02516	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+2Na-H"	44.97116
"634649"	1218.05216	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+2Na-H"	44.97116
"1135606"	435.99816	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2Na-H"	44.97116
"177802"	414.016218	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+2Na"	45.978436
"618456"	609.529718	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+2Na"	45.978436
"1121235"	218.502718	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2Na"	45.978436
"1403664"	146.004237333333	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H+2Na"	46.985712
"1435782"	438.039746	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H+HCOOH"	47.012746
"232039"	419.04924	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+3H2O+2H"	56.04448
"1523019"	452.09179	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+IsoProp+H"	61.06479
"423799"	422.003188	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+Na+K"	61.952376
"780788"	617.516688	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+Na+K"	61.952376
"1678941"	226.489688	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Na+K"	61.952376
"264368"	846.069768	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+ACN+Na"	64.015768
"1239991"	455.042768	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+ACN+Na"	64.015768
"1725232"	455.066293	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+NH4+HCOOH"	64.039293
"1186212"	153.331551333333	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+3Na"	68.967654
"1656105"	460.021688	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Na+HCOOH"	68.994688
"165153"	858.97304	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+2K-H"	76.91904
"603618"	1250.00004	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+2K-H"	76.91904
"1091410"	467.94604	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2K-H"	76.91904
"151508"	429.990158	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"2M+2K"	77.926316
"594107"	625.503658	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"3M+2K"	77.926316
"1073395"	234.476658	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2K"	77.926316
"1103322"	469.960592	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2K+H"	78.933592
"1342987"	470.048207	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+DMSO+H"	79.021207
"1007627"	474.087376	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2ACN+H"	83.060376
"1527455"	475.081008	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+IsoProp+Na+H"	84.054008
"993907"	237.547326	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+2ACN+2H"	84.067652
"1588773"	475.995628	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+K+HCOOH"	84.968628
"1426109"	506.027138	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+H+CF3COOH"	115.000138
"1159678"	258.060601	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+3ACN+2H"	125.094202
"1710322"	523.053685	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+NH4+CF3COOH"	132.026685
"1643786"	528.00908	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+Na+CF3COOH"	136.98208
"1575063"	543.98302	"C18344"	"Adenosine 5-phosphate disodium"	"C10H12N5O7P2Na"	"391.027"	"M+K+CF3COOH"	152.95602
"806521"	216.027	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M"	0
"977866"	197.00861	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-H2O-H"	-19.01839
"68295"	143.010724	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M-3H"	-3.021828
"503005"	215.019724	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M-3H"	-3.021828
"883470"	71.001724	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-3H"	-3.021828
"1312"	215.019724	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M-2H"	-2.014552
"441966"	323.033224	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M-2H"	-2.014552
"817945"	107.006224	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-2H"	-2.014552
"80489"	431.046724	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M-H"	-1.007276
"525523"	647.073724	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M-H"	-1.007276
"897005"	215.019724	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-H"	-1.007276
"47855"	448.073271	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M-2H+NH4"	16.019271
"487659"	664.100271	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M-2H+NH4"	16.019271
"870690"	232.046271	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-2H+NH4"	16.019271
"36405"	453.028666	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M-2H+Na"	20.974666
"485814"	669.055666	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M-2H+Na"	20.974666
"860333"	237.001666	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-2H+Na"	20.974666
"1632421"	237.001666	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Na-2H"	20.974666
"104215"	233.008063	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M-H+Cl"	33.962126
"547911"	341.021563	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M-H+Cl"	33.962126
"934015"	124.994563	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-H+Cl"	33.962126
"280232"	467.023402	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+Cl"	34.969402
"672653"	683.050402	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+Cl"	34.969402
"1286148"	250.996402	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Cl"	34.969402
"19958"	469.002606	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M-2H+K"	36.948606
"467901"	685.029606	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M-2H+K"	36.948606
"835132"	252.975606	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-2H+K"	36.948606
"1561901"	252.975606	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+K-2H"	36.948606
"950878"	261.025194	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-H+HCOOH"	44.998194
"374561"	477.052201	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+HCOOH-H"	44.998201
"358447"	491.067851	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+Hac-H"	59.013851
"1505090"	275.040851	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Hac-H"	59.013851
"969353"	283.007151	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-H+NaCOOH"	66.980151
"122999"	250.996402	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+2Cl"	69.938804
"558911"	359.009902	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+2Cl"	69.938804
"1032084"	142.982902	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2Cl"	69.938804
"1250569"	294.945885	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Br"	78.918885
"1317394"	297.001872	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Cl+HCOOH"	80.974872
"1330515"	318.983829	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Cl+NaCOOH"	102.956829
"926804"	329.012586	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M-H+CF3COOH"	112.985586
"1303515"	364.989264	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Cl+CF3COOH"	148.962264
"1381913"	181.014324	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H-2H2O"	-35.012676
"1397474"	199.0243	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H-H2O"	-17.0027
"297888"	433.061276	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+H"	1.007276
"690070"	649.088276	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+H"	1.007276
"1367016"	217.034276	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H"	1.007276
"141123"	217.034276	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+2H"	2.014552
"581300"	325.047776	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+2H"	2.014552
"1052752"	109.020776	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2H"	2.014552
"218111"	145.025276	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+3H"	3.021828
"655484"	217.034276	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+3H"	3.021828
"1173608"	73.016276	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+3H"	3.021828
"429227"	450.087823	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+NH4"	18.033823
"800061"	666.114823	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+NH4"	18.033823
"1693112"	234.060823	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+NH4"	18.033823
"339205"	225.5475495	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+H+NH4"	19.041099
"733814"	333.5610495	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+H+NH4"	19.041099
"1492013"	117.5340495	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H+NH4"	19.041099
"405224"	455.043218	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+Na"	22.989218
"769137"	671.070218	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+Na"	22.989218
"1614323"	239.016218	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Na"	22.989218
"327635"	228.025247	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+H+Na"	23.996494
"720057"	336.038747	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+H+Na"	23.996494
"1471689"	120.011747	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H+Na"	23.996494
"1066028"	80.34359	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2H+Na"	25.00377
"1270987"	249.060486	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+CH3OH+H"	33.033486
"384094"	471.017158	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+K"	38.963158
"742910"	687.044158	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+K"	38.963158
"1543867"	254.990158	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+K"	38.963158
"303232"	236.012217	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+H+K"	39.970434
"694560"	344.025717	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+H+K"	39.970434
"1450568"	127.998717	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H+K"	39.970434
"243544"	474.087826	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+ACN+H"	42.033826
"1217349"	258.060826	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+ACN+H"	42.033826
"1203421"	129.534051	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+ACN+2H"	43.041102
"197384"	477.02516	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+2Na-H"	44.97116
"637308"	693.05216	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+2Na-H"	44.97116
"1139360"	260.99816	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2Na-H"	44.97116
"177179"	239.016218	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+2Na"	45.978436
"618927"	347.029718	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+2Na"	45.978436
"1122071"	131.002718	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2Na"	45.978436
"1405959"	87.670904	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H+2Na"	46.985712
"1435892"	263.039746	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H+HCOOH"	47.012746
"227775"	244.04924	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+3H2O+2H"	56.04448
"1521305"	277.09179	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+IsoProp+H"	61.06479
"419901"	247.003188	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+Na+K"	61.952376
"781991"	355.016688	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+Na+K"	61.952376
"1679416"	138.989688	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Na+K"	61.952376
"263385"	496.069768	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+ACN+Na"	64.015768
"1236455"	280.042768	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+ACN+Na"	64.015768
"1725342"	280.066293	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+NH4+HCOOH"	64.039293
"1186322"	94.998218	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+3Na"	68.967654
"1656579"	285.021688	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Na+HCOOH"	68.994688
"163076"	508.97304	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+2K-H"	76.91904
"607008"	725.00004	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+2K-H"	76.91904
"1093707"	292.94604	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2K-H"	76.91904
"151618"	254.990158	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"2M+2K"	77.926316
"585712"	363.003658	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"3M+2K"	77.926316
"1070341"	146.976658	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2K"	77.926316
"1101609"	294.960592	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2K+H"	78.933592
"1340910"	295.048207	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+DMSO+H"	79.021207
"1007494"	299.087376	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2ACN+H"	83.060376
"1526470"	300.081008	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+IsoProp+Na+H"	84.054008
"992924"	150.047326	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+2ACN+2H"	84.067652
"1589612"	300.995628	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+K+HCOOH"	84.968628
"1426219"	331.027138	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+H+CF3COOH"	115.000138
"1159788"	170.560601	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+3ACN+2H"	125.094202
"1708245"	348.053685	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+NH4+CF3COOH"	132.026685
"1643896"	353.00908	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+Na+CF3COOH"	136.98208
"1575173"	368.98302	"C18345"	"4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-24-dienoate"	"C8H8O7"	"216.027"	"M+K+CF3COOH"	152.95602
"805538"	207.006	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M"	0
"974298"	187.98761	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-H2O-H"	-19.01839
"65490"	136.996724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M-3H"	-3.021828
"503062"	205.998724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M-3H"	-3.021828
"882487"	67.994724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-3H"	-3.021828
"136"	205.998724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M-2H"	-2.014552
"441224"	309.501724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M-2H"	-2.014552
"817366"	102.495724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-2H"	-2.014552
"79626"	413.004724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M-H"	-1.007276
"524540"	620.010724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M-H"	-1.007276
"896873"	205.998724	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-H"	-1.007276
"48326"	430.031271	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M-2H+NH4"	16.019271
"489342"	637.037271	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M-2H+NH4"	16.019271
"864720"	223.025271	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-2H+NH4"	16.019271
"31584"	434.986666	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M-2H+Na"	20.974666
"485923"	641.992666	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M-2H+Na"	20.974666
"861536"	227.980666	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-2H+Na"	20.974666
"1633262"	227.980666	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Na-2H"	20.974666
"104325"	223.987063	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M-H+Cl"	33.962126
"544983"	327.490063	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M-H+Cl"	33.962126
"935219"	120.484063	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-H+Cl"	33.962126
"281801"	448.981402	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+Cl"	34.969402
"672761"	655.987402	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+Cl"	34.969402
"1287230"	241.975402	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Cl"	34.969402
"29908"	450.960606	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M-2H+K"	36.948606
"469105"	657.966606	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M-2H+K"	36.948606
"835242"	243.954606	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-2H+K"	36.948606
"1562011"	243.954606	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+K-2H"	36.948606
"950988"	252.004194	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-H+HCOOH"	44.998194
"376737"	459.010201	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+HCOOH-H"	44.998201
"358556"	473.025851	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+Hac-H"	59.013851
"1506293"	266.019851	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Hac-H"	59.013851
"968369"	273.986151	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-H+NaCOOH"	66.980151
"121648"	241.975402	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+2Cl"	69.938804
"555741"	345.478402	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+2Cl"	69.938804
"1030008"	138.472402	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2Cl"	69.938804
"1244483"	285.924885	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Br"	78.918885
"1316411"	287.980872	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Cl+HCOOH"	80.974872
"1326253"	309.962829	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Cl+NaCOOH"	102.956829
"926670"	319.991586	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M-H+CF3COOH"	112.985586
"1301676"	355.968264	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Cl+CF3COOH"	148.962264
"1379837"	171.993324	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H-2H2O"	-35.012676
"1397822"	190.0033	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H-H2O"	-17.0027
"295925"	415.019276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+H"	1.007276
"688346"	622.025276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+H"	1.007276
"1365668"	208.013276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H"	1.007276
"141112"	208.013276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+2H"	2.014552
"581354"	311.516276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+2H"	2.014552
"1052267"	104.510276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2H"	2.014552
"218950"	139.011276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+3H"	3.021828
"656687"	208.013276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+3H"	3.021828
"1172625"	70.009276	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+3H"	3.021828
"430430"	432.045823	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+NH4"	18.033823
"796891"	639.051823	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+NH4"	18.033823
"1693222"	225.039823	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+NH4"	18.033823
"340045"	216.5265495	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+H+NH4"	19.041099
"732831"	320.0295495	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+H+NH4"	19.041099
"1491760"	113.0235495	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H+NH4"	19.041099
"406793"	437.001218	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+Na"	22.989218
"768519"	644.007218	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+Na"	22.989218
"1615526"	229.995218	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Na"	22.989218
"328596"	219.004247	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+H+Na"	23.996494
"719074"	322.507247	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+H+Na"	23.996494
"1471799"	115.501247	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H+Na"	23.996494
"1062857"	77.33659	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2H+Na"	25.00377
"1268910"	240.039486	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+CH3OH+H"	33.033486
"386390"	452.975158	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+K"	38.963158
"742289"	659.981158	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+K"	38.963158
"1543977"	245.969158	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+K"	38.963158
"304435"	226.991217	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+H+K"	39.970434
"693573"	330.494217	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+H+K"	39.970434
"1447759"	123.488217	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H+K"	39.970434
"237090"	456.045826	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+ACN+H"	42.033826
"1213081"	249.039826	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+ACN+H"	42.033826
"1206811"	125.023551	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+ACN+2H"	43.041102
"193848"	458.98316	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+2Na-H"	44.97116
"635595"	665.98916	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+2Na-H"	44.97116
"1138011"	251.97716	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2Na-H"	44.97116
"177289"	229.995218	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+2Na"	45.978436
"619037"	333.498218	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+2Na"	45.978436
"1124733"	126.492218	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2Na"	45.978436
"1404976"	84.663904	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H+2Na"	46.985712
"1434541"	254.018746	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H+HCOOH"	47.012746
"230071"	235.02824	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+3H2O+2H"	56.04448
"1517041"	268.07079	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+IsoProp+H"	61.06479
"418915"	237.982188	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+Na+K"	61.952376
"782101"	341.485188	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+Na+K"	61.952376
"1677339"	134.479188	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Na+K"	61.952376
"261672"	478.027768	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+ACN+Na"	64.015768
"1235472"	271.021768	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+ACN+Na"	64.015768
"1724359"	271.045293	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+NH4+HCOOH"	64.039293
"1186432"	91.991218	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+3Na"	68.967654
"1656689"	276.000688	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Na+HCOOH"	68.994688
"161363"	490.93104	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+2K-H"	76.91904
"607118"	697.93704	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+2K-H"	76.91904
"1093817"	283.92504	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2K-H"	76.91904
"149541"	245.969158	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"2M+2K"	77.926316
"583635"	349.472158	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"3M+2K"	77.926316
"1071058"	142.466158	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2K"	77.926316
"1101718"	285.939592	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2K+H"	78.933592
"1341020"	286.027207	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+DMSO+H"	79.021207
"1007362"	290.066376	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2ACN+H"	83.060376
"1526580"	291.060008	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+IsoProp+Na+H"	84.054008
"993034"	145.536826	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+2ACN+2H"	84.067652
"1589722"	291.974628	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+K+HCOOH"	84.968628
"1425236"	322.006138	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+H+CF3COOH"	115.000138
"1159898"	166.050101	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+3ACN+2H"	125.094202
"1708355"	339.032685	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+NH4+CF3COOH"	132.026685
"1644006"	343.98808	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+Na+CF3COOH"	136.98208
"1575283"	359.96202	"C18346"	"4-Methoxy potassium salicylate;4MSK"	"C8H8O4K"	"207.006"	"M+K+CF3COOH"	152.95602
"805648"	334.0689	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M"	0
"974533"	315.05051	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-H2O-H"	-19.01839
"65236"	221.705324	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M-3H"	-3.021828
"503248"	333.061624	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M-3H"	-3.021828
"883690"	110.349024	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-3H"	-3.021828
"1170"	333.061624	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M-2H"	-2.014552
"441335"	500.096074	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M-2H"	-2.014552
"818163"	166.027174	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-2H"	-2.014552
"78885"	667.130524	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M-H"	-1.007276
"520270"	1001.199424	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M-H"	-1.007276
"896251"	333.061624	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-H"	-1.007276
"50262"	684.157071	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M-2H+NH4"	16.019271
"487230"	1018.225971	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M-2H+NH4"	16.019271
"868722"	350.088171	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-2H+NH4"	16.019271
"31432"	689.112466	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M-2H+Na"	20.974666
"471687"	1023.181366	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M-2H+Na"	20.974666
"860553"	355.043566	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-2H+Na"	20.974666
"1633249"	355.043566	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Na-2H"	20.974666
"105528"	351.049963	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M-H+Cl"	33.962126
"547279"	518.084413	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M-H+Cl"	33.962126
"935329"	184.015513	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-H+Cl"	33.962126
"282687"	703.107202	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+Cl"	34.969402
"674696"	1037.176102	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+Cl"	34.969402
"1288157"	369.038302	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Cl"	34.969402
"30384"	705.086406	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M-2H+K"	36.948606
"469580"	1039.155306	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M-2H+K"	36.948606
"847016"	371.017506	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-2H+K"	36.948606
"1565401"	371.017506	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+K-2H"	36.948606
"954378"	379.067094	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-H+HCOOH"	44.998194
"376240"	713.136001	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+HCOOH-H"	44.998201
"359759"	727.151651	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+Hac-H"	59.013851
"1506403"	393.082751	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Hac-H"	59.013851
"969571"	401.049051	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-H+NaCOOH"	66.980151
"121758"	369.038302	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+2Cl"	69.938804
"555851"	536.072752	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+2Cl"	69.938804
"1026837"	202.003852	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2Cl"	69.938804
"1244593"	412.987785	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Br"	78.918885
"1317615"	415.043772	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Cl+HCOOH"	80.974872
"1328549"	437.025729	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Cl+NaCOOH"	102.956829
"922888"	447.054486	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M-H+CF3COOH"	112.985586
"1300692"	483.031164	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Cl+CF3COOH"	148.962264
"1381770"	299.056224	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H-2H2O"	-35.012676
"1394163"	317.0662	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H-H2O"	-17.0027
"296033"	669.145076	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+H"	1.007276
"687360"	1003.213976	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+H"	1.007276
"1364805"	335.076176	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H"	1.007276
"139882"	335.076176	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+2H"	2.014552
"580662"	502.110626	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+2H"	2.014552
"1052583"	168.041726	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2H"	2.014552
"219306"	223.719876	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+3H"	3.021828
"654610"	335.076176	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+3H"	3.021828
"1177234"	112.363576	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+3H"	3.021828
"438195"	686.171623	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+NH4"	18.033823
"795908"	1020.240523	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+NH4"	18.033823
"1695525"	352.102723	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+NH4"	18.033823
"340519"	343.5894495	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+H+NH4"	19.041099
"734034"	510.6238995	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+H+NH4"	19.041099
"1488949"	176.5549995	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H+NH4"	19.041099
"406539"	691.127018	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+Na"	22.989218
"768387"	1025.195918	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+Na"	22.989218
"1614543"	357.058118	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Na"	22.989218
"328466"	346.067147	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+H+Na"	23.996494
"710438"	513.101597	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+H+Na"	23.996494
"1471911"	179.032697	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H+Na"	23.996494
"1065157"	119.69089	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2H+Na"	25.00377
"1270967"	367.102386	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+CH3OH+H"	33.033486
"385408"	707.100958	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+K"	38.963158
"743128"	1041.169858	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+K"	38.963158
"1544085"	373.032058	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+K"	38.963158
"301263"	354.054117	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+H+K"	39.970434
"692590"	521.088567	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+H+K"	39.970434
"1446412"	187.019667	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H+K"	39.970434
"237200"	710.171626	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+ACN+H"	42.033826
"1209917"	376.102726	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+ACN+H"	42.033826
"1206557"	188.555001	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+ACN+2H"	43.041102
"194687"	713.10896	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+2Na-H"	44.97116
"637528"	1047.17786	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+2Na-H"	44.97116
"1141764"	379.04006	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2Na-H"	44.97116
"183960"	357.058118	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+2Na"	45.978436
"619877"	524.092568	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+2Na"	45.978436
"1125936"	190.023668	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2Na"	45.978436
"1407275"	127.018204	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H+2Na"	46.985712
"1438296"	381.081646	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H+HCOOH"	47.012746
"227994"	362.09114	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+3H2O+2H"	56.04448
"1519338"	395.13369	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+IsoProp+H"	61.06479
"420119"	365.045088	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+Na+K"	61.952376
"782941"	532.079538	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+Na+K"	61.952376
"1677449"	198.010638	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Na+K"	61.952376
"263969"	732.153568	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+ACN+Na"	64.015768
"1236675"	398.084668	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+ACN+Na"	64.015768
"1723376"	398.108193	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+NH4+HCOOH"	64.039293
"1186542"	134.345518	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+3Na"	68.967654
"1653519"	403.063588	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Na+HCOOH"	68.994688
"163296"	745.05684	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+2K-H"	76.91904
"610508"	1079.12574	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+2K-H"	76.91904
"1091740"	410.98794	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2K-H"	76.91904
"149651"	373.032058	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"2M+2K"	77.926316
"585932"	540.066508	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"3M+2K"	77.926316
"1070803"	205.997608	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2K"	77.926316
"1104746"	413.002492	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2K+H"	78.933592
"1336390"	413.090107	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+DMSO+H"	79.021207
"1008565"	417.129276	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2ACN+H"	83.060376
"1525958"	418.122908	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+IsoProp+Na+H"	84.054008
"992048"	209.068276	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+2ACN+2H"	84.067652
"1587645"	419.037528	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+K+HCOOH"	84.968628
"1427533"	449.069038	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+H+CF3COOH"	115.000138
"1160010"	229.581551	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+3ACN+2H"	125.094202
"1710652"	466.095585	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+NH4+CF3COOH"	132.026685
"1644116"	471.05098	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+Na+CF3COOH"	136.98208
"1575393"	487.02492	"C18347"	"55-Dehydrodivanillate"	"C16H14O8"	"334.0689"	"M+K+CF3COOH"	152.95602
"805758"	320.0532	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M"	0
"976009"	301.03481	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-H2O-H"	-19.01839
"65346"	212.361524	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M-3H"	-3.021828
"503444"	319.045924	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M-3H"	-3.021828
"883800"	105.677124	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-3H"	-3.021828
"1280"	319.045924	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M-2H"	-2.014552
"440594"	479.072524	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M-2H"	-2.014552
"817667"	159.019324	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-2H"	-2.014552
"80820"	639.099124	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M-H"	-1.007276
"522566"	959.152324	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M-H"	-1.007276
"900373"	319.045924	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-H"	-1.007276
"49279"	656.125671	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M-2H+NH4"	16.019271
"487740"	976.178871	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M-2H+NH4"	16.019271
"864333"	336.072471	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-2H+NH4"	16.019271
"36726"	661.081066	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M-2H+Na"	20.974666
"471798"	981.134266	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M-2H+Na"	20.974666
"854100"	341.027866	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-2H+Na"	20.974666
"1632997"	341.027866	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Na-2H"	20.974666
"102352"	337.034263	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M-H+Cl"	33.962126
"546294"	497.060863	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M-H+Cl"	33.962126
"935439"	177.007663	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-H+Cl"	33.962126
"273997"	675.075802	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+Cl"	34.969402
"667512"	995.129002	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+Cl"	34.969402
"1276633"	355.022602	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Cl"	34.969402
"27939"	677.055006	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M-2H+K"	36.948606
"464219"	997.108206	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M-2H+K"	36.948606
"836553"	357.001806	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-2H+K"	36.948606
"1564418"	357.001806	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+K-2H"	36.948606
"951208"	365.051394	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-H+HCOOH"	44.998194
"367237"	685.104601	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+HCOOH-H"	44.998201
"348931"	699.120251	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+Hac-H"	59.013851
"1496670"	379.067051	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Hac-H"	59.013851
"962024"	387.033351	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-H+NaCOOH"	66.980151
"110562"	355.022602	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+2Cl"	69.938804
"550483"	515.049202	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+2Cl"	69.938804
"1021832"	194.996002	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2Cl"	69.938804
"1242512"	398.972085	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Br"	78.918885
"1305327"	401.028072	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Cl+HCOOH"	80.974872
"1327564"	423.010029	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Cl+NaCOOH"	102.956829
"919718"	433.038786	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M-H+CF3COOH"	112.985586
"1302625"	469.015464	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Cl+CF3COOH"	148.962264
"1380785"	285.040524	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H-2H2O"	-35.012676
"1395364"	303.0505	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H-H2O"	-17.0027
"297238"	641.113676	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+H"	1.007276
"686378"	961.166876	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+H"	1.007276
"1362727"	321.060476	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H"	1.007276
"139991"	321.060476	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+2H"	2.014552
"576272"	481.087076	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+2H"	2.014552
"1048350"	161.033876	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2H"	2.014552
"218807"	214.376076	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+3H"	3.021828
"658000"	321.060476	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+3H"	3.021828
"1176977"	107.691676	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+3H"	3.021828
"435024"	658.140223	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+NH4"	18.033823
"796018"	978.193423	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+NH4"	18.033823
"1696000"	338.087023	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+NH4"	18.033823
"339535"	329.5737495	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+H+NH4"	19.041099
"734144"	489.6003495	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+H+NH4"	19.041099
"1489059"	169.5471495	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H+NH4"	19.041099
"407136"	663.095618	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+Na"	22.989218
"768374"	983.148818	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+Na"	22.989218
"1613559"	343.042418	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Na"	22.989218
"322500"	332.051447	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+H+Na"	23.996494
"713827"	492.078047	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+H+Na"	23.996494
"1470928"	172.024847	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H+Na"	23.996494
"1063080"	115.01899	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2H+Na"	25.00377
"1268037"	353.086686	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+CH3OH+H"	33.033486
"386609"	679.069558	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+K"	38.963158
"744331"	999.122758	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+K"	38.963158
"1542009"	359.016358	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+K"	38.963158
"301737"	340.038417	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+H+K"	39.970434
"694886"	500.065017	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+H+K"	39.970434
"1446886"	180.011817	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H+K"	39.970434
"238402"	682.140226	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+ACN+H"	42.033826
"1211114"	362.087026	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+ACN+H"	42.033826
"1205938"	181.547151	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+ACN+2H"	43.041102
"194068"	685.07756	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+2Na-H"	44.97116
"639461"	1005.13076	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+2Na-H"	44.97116
"1140781"	365.02436	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2Na-H"	44.97116
"182977"	343.042418	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+2Na"	45.978436
"625453"	503.069018	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+2Na"	45.978436
"1123861"	183.015818	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2Na"	45.978436
"1406292"	122.346304	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H+2Na"	46.985712
"1437315"	367.065946	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H+HCOOH"	47.012746
"227011"	348.07544	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+3H2O+2H"	56.04448
"1518355"	381.11799	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+IsoProp+H"	61.06479
"418043"	351.029388	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+Na+K"	61.952376
"782322"	511.055988	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+Na+K"	61.952376
"1675373"	191.002788	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Na+K"	61.952376
"261893"	704.122168	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+ACN+Na"	64.015768
"1234964"	384.068968	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+ACN+Na"	64.015768
"1723486"	384.092493	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+NH4+HCOOH"	64.039293
"1188110"	129.673618	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+3Na"	68.967654
"1655816"	389.047888	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Na+HCOOH"	68.994688
"163406"	717.02544	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+2K-H"	76.91904
"610254"	1037.07864	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+2K-H"	76.91904
"1094037"	396.97224	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2K-H"	76.91904
"153041"	359.016358	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"2M+2K"	77.926316
"587136"	519.042958	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"3M+2K"	77.926316
"1072006"	198.989758	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2K"	77.926316
"1105949"	398.986792	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2K+H"	78.933592
"1337590"	399.074407	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+DMSO+H"	79.021207
"1008675"	403.113576	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2ACN+H"	83.060376
"1526068"	404.107208	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+IsoProp+Na+H"	84.054008
"991065"	202.060426	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+2ACN+2H"	84.067652
"1589943"	405.021828	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+K+HCOOH"	84.968628
"1428737"	435.053338	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+H+CF3COOH"	115.000138
"1160850"	222.573701	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+3ACN+2H"	125.094202
"1709669"	452.079885	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+NH4+CF3COOH"	132.026685
"1644226"	457.03528	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+Na+CF3COOH"	136.98208
"1575503"	473.00922	"C18348"	"223-Trihydroxy-3-methoxy-55-dicarboxybiphenyl"	"C15H12O8"	"320.0532"	"M+K+CF3COOH"	152.95602
"805868"	352.043	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M"	0
"974660"	333.02461	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-H2O-H"	-19.01839
"66549"	233.688057333333	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M-3H"	-3.021828
"503553"	351.035724	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M-3H"	-3.021828
"882817"	116.340390666667	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-3H"	-3.021828
"1388"	351.035724	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M-2H"	-2.014552
"441313"	527.057224	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M-2H"	-2.014552
"817413"	175.014224	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-2H"	-2.014552
"80322"	703.078724	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M-H"	-1.007276
"521585"	1055.121724	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M-H"	-1.007276
"898295"	351.035724	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-H"	-1.007276
"49632"	720.105271	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M-2H+NH4"	16.019271
"488465"	1072.148271	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M-2H+NH4"	16.019271
"864560"	368.062271	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-2H+NH4"	16.019271
"33796"	725.060666	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M-2H+Na"	20.974666
"474219"	1077.103666	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M-2H+Na"	20.974666
"854210"	373.017666	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-2H+Na"	20.974666
"1625934"	373.017666	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Na-2H"	20.974666
"98088"	369.024063	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M-H+Cl"	33.962126
"548231"	545.045563	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M-H+Cl"	33.962126
"936643"	193.002563	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-H+Cl"	33.962126
"276293"	739.055402	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+Cl"	34.969402
"667622"	1091.098402	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+Cl"	34.969402
"1280023"	387.012402	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Cl"	34.969402
"28050"	741.034606	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M-2H+K"	36.948606
"466515"	1093.077606	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M-2H+K"	36.948606
"842129"	388.991606	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-2H+K"	36.948606
"1563434"	388.991606	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+K-2H"	36.948606
"949131"	397.041194	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-H+HCOOH"	44.998194
"367347"	749.084201	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+HCOOH-H"	44.998201
"351227"	763.099851	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+Hac-H"	59.013851
"1498966"	411.056851	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Hac-H"	59.013851
"963227"	419.023151	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-H+NaCOOH"	66.980151
"111040"	387.012402	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+2Cl"	69.938804
"550593"	563.033902	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+2Cl"	69.938804
"1022184"	210.990902	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2Cl"	69.938804
"1242984"	430.961885	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Br"	78.918885
"1305800"	433.017872	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Cl+HCOOH"	80.974872
"1330954"	454.999829	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Cl+NaCOOH"	102.956829
"920921"	465.028586	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M-H+CF3COOH"	112.985586
"1302736"	501.005264	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Cl+CF3COOH"	148.962264
"1381990"	317.030324	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H-2H2O"	-35.012676
"1398258"	335.0403	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H-H2O"	-17.0027
"294066"	705.093276	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+H"	1.007276
"687580"	1057.136276	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+H"	1.007276
"1361743"	353.050276	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H"	1.007276
"140832"	353.050276	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+2H"	2.014552
"577475"	529.071776	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+2H"	2.014552
"1052601"	177.028776	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2H"	2.014552
"219403"	235.702609333333	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+3H"	3.021828
"655920"	353.050276	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+3H"	3.021828
"1174048"	118.354942666667	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+3H"	3.021828
"431853"	722.119823	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+NH4"	18.033823
"797221"	1074.162823	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+NH4"	18.033823
"1695375"	370.076823	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+NH4"	18.033823
"342927"	361.5635495	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+H+NH4"	19.041099
"736443"	537.5850495	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+H+NH4"	19.041099
"1488075"	185.5420495	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H+NH4"	19.041099
"407728"	727.075218	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+Na"	22.989218
"766660"	1079.118218	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+Na"	22.989218
"1609292"	375.032218	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Na"	22.989218
"321515"	364.041247	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+H+Na"	23.996494
"709561"	540.062747	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+H+Na"	23.996494
"1465569"	188.019747	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H+Na"	23.996494
"1057722"	125.682256666667	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2H+Na"	25.00377
"1261588"	385.076486	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+CH3OH+H"	33.033486
"383439"	743.049158	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+K"	38.963158
"742253"	1095.092158	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+K"	38.963158
"1543212"	391.006158	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+K"	38.963158
"304762"	372.028217	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+H+K"	39.970434
"694996"	548.049717	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+H+K"	39.970434
"1448816"	196.006717	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H+K"	39.970434
"239606"	746.119826	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+ACN+H"	42.033826
"1213410"	394.076826	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+ACN+H"	42.033826
"1202768"	197.542051	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+ACN+2H"	43.041102
"190898"	749.05716	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+2Na-H"	44.97116
"635197"	1101.10016	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+2Na-H"	44.97116
"1138339"	397.01416	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2Na-H"	44.97116
"180535"	375.032218	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+2Na"	45.978436
"620824"	551.053718	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+2Na"	45.978436
"1122878"	199.010718	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2Na"	45.978436
"1402392"	133.009570666667	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H+2Na"	46.985712
"1435602"	399.055746	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H+HCOOH"	47.012746
"226028"	380.06524	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+3H2O+2H"	56.04448
"1519559"	413.10779	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+IsoProp+H"	61.06479
"415237"	383.019188	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+Na+K"	61.952376
"781338"	559.040688	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+Na+K"	61.952376
"1675483"	206.997688	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Na+K"	61.952376
"263097"	768.101768	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+ACN+Na"	64.015768
"1234710"	416.058768	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+ACN+Na"	64.015768
"1723596"	416.082293	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+NH4+HCOOH"	64.039293
"1188220"	140.336884666667	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+3Na"	68.967654
"1652646"	421.037688	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Na+HCOOH"	68.994688
"166796"	781.00504	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+2K-H"	76.91904
"604169"	1133.04804	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+2K-H"	76.91904
"1094150"	428.96204	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2K-H"	76.91904
"149872"	391.006158	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"2M+2K"	77.926316
"583966"	567.027658	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"3M+2K"	77.926316
"1069563"	214.984658	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2K"	77.926316
"1101198"	430.976592	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2K+H"	78.933592
"1336973"	431.064207	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+DMSO+H"	79.021207
"1008177"	435.103376	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2ACN+H"	83.060376
"1525450"	436.097008	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+IsoProp+Na+H"	84.054008
"990561"	218.055326	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+2ACN+2H"	84.067652
"1587059"	437.011628	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+K+HCOOH"	84.968628
"1429851"	467.043138	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+H+CF3COOH"	115.000138
"1162622"	238.568601	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+3ACN+2H"	125.094202
"1710872"	484.069685	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+NH4+CF3COOH"	132.026685
"1644336"	489.02508	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+Na+CF3COOH"	136.98208
"1575613"	504.99902	"C18349"	"4-2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene-2-hydroxy-2-pentenedioate"	"C15H12O10"	"352.043"	"M+K+CF3COOH"	152.95602
"805978"	230.0361	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M"	0
"975136"	211.01771	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-H2O-H"	-19.01839
"67752"	152.350124	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M-3H"	-3.021828
"504029"	229.028824	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M-3H"	-3.021828
"887300"	75.671424	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-3H"	-3.021828
"2958"	229.028824	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M-2H"	-2.014552
"442151"	344.046874	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M-2H"	-2.014552
"821049"	114.010774	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-2H"	-2.014552
"84322"	459.064924	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M-H"	-1.007276
"521696"	689.101024	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M-H"	-1.007276
"898405"	229.028824	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-H"	-1.007276
"49012"	476.091471	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M-2H+NH4"	16.019271
"487962"	706.127571	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M-2H+NH4"	16.019271
"865279"	246.055371	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-2H+NH4"	16.019271
"34147"	481.046866	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M-2H+Na"	20.974666
"473598"	711.082966	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M-2H+Na"	20.974666
"851040"	251.010766	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-2H+Na"	20.974666
"1623857"	251.010766	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Na-2H"	20.974666
"95523"	247.017163	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M-H+Cl"	33.962126
"549187"	362.035213	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M-H+Cl"	33.962126
"937846"	131.999113	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-H+Cl"	33.962126
"276403"	495.041602	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+Cl"	34.969402
"667732"	725.077702	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+Cl"	34.969402
"1280133"	265.005502	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Cl"	34.969402
"28160"	497.020806	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M-2H+K"	36.948606
"465532"	727.056906	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M-2H+K"	36.948606
"842239"	266.984706	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-2H+K"	36.948606
"1561357"	266.984706	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+K-2H"	36.948606
"951427"	275.034294	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-H+HCOOH"	44.998194
"369643"	505.070401	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+HCOOH-H"	44.998201
"349150"	519.086051	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+Hac-H"	59.013851
"1495796"	289.049951	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Hac-H"	59.013851
"962244"	297.016251	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-H+NaCOOH"	66.980151
"110254"	265.005502	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+2Cl"	69.938804
"550824"	380.023552	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+2Cl"	69.938804
"1022657"	149.987452	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2Cl"	69.938804
"1242235"	308.954985	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Br"	78.918885
"1305911"	311.010972	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Cl+HCOOH"	80.974872
"1331064"	332.992929	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Cl+NaCOOH"	102.956829
"919936"	343.021686	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M-H+CF3COOH"	112.985586
"1301751"	378.998364	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Cl+CF3COOH"	148.962264
"1381370"	195.023424	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H-2H2O"	-35.012676
"1393395"	213.0334	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H-H2O"	-17.0027
"295997"	461.079476	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+H"	1.007276
"686596"	691.115576	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+H"	1.007276
"1358573"	231.043376	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H"	1.007276
"139116"	231.043376	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+2H"	2.014552
"578677"	346.061426	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+2H"	2.014552
"1052340"	116.025326	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2H"	2.014552
"218294"	154.364676	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+3H"	3.021828
"657125"	231.043376	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+3H"	3.021828
"1174158"	77.685976	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+3H"	3.021828
"437430"	478.106023	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+NH4"	18.033823
"797331"	708.142123	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+NH4"	18.033823
"1694758"	248.069923	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+NH4"	18.033823
"339756"	239.5566495	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+H+NH4"	19.041099
"736552"	354.5746995	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+H+NH4"	19.041099
"1484905"	124.5385995	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H+NH4"	19.041099
"406502"	483.061418	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+Na"	22.989218
"766770"	713.097518	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+Na"	22.989218
"1608309"	253.025318	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Na"	22.989218
"320533"	242.034347	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+H+Na"	23.996494
"709671"	357.052397	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+H+Na"	23.996494
"1467866"	127.016297	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H+Na"	23.996494
"1056737"	85.01329	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2H+Na"	25.00377
"1262791"	263.069586	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+CH3OH+H"	33.033486
"379176"	499.035358	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+K"	38.963158
"742363"	729.071458	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+K"	38.963158
"1541135"	268.999258	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+K"	38.963158
"303779"	250.021317	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+H+K"	39.970434
"692919"	365.039367	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+H+K"	39.970434
"1448926"	135.003267	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H+K"	39.970434
"239716"	502.106026	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+ACN+H"	42.033826
"1214612"	272.069926	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+ACN+H"	42.033826
"1198502"	136.538601	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+ACN+2H"	43.041102
"192101"	505.04336	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+2Na-H"	44.97116
"638588"	735.07946	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+2Na-H"	44.97116
"1139908"	275.00726	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2Na-H"	44.97116
"180281"	253.025318	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+2Na"	45.978436
"619841"	368.043368	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+2Na"	45.978436
"1122987"	138.007268	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2Na"	45.978436
"1403231"	92.340604	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H+2Na"	46.985712
"1435712"	277.048846	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H+HCOOH"	47.012746
"229419"	258.05834	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+3H2O+2H"	56.04448
"1519669"	291.10089	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+IsoProp+H"	61.06479
"415347"	261.012288	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+Na+K"	61.952376
"780355"	376.030338	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+Na+K"	61.952376
"1675593"	145.994238	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Na+K"	61.952376
"263207"	524.087968	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+ACN+Na"	64.015768
"1234819"	294.051868	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+ACN+Na"	64.015768
"1725892"	294.075393	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+NH4+HCOOH"	64.039293
"1188330"	99.667918	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+3Na"	68.967654
"1658223"	299.030788	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Na+HCOOH"	68.994688
"169823"	536.99124	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+2K-H"	76.91904
"604280"	767.02734	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+2K-H"	76.91904
"1092075"	306.95514	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2K-H"	76.91904
"146703"	268.999258	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"2M+2K"	77.926316
"587357"	384.017308	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"3M+2K"	77.926316
"1070040"	153.981208	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2K"	77.926316
"1101187"	308.969692	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2K+H"	78.933592
"1336841"	309.057307	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+DMSO+H"	79.021207
"1007436"	313.096476	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2ACN+H"	83.060376
"1526287"	314.090108	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+IsoProp+Na+H"	84.054008
"991645"	157.051876	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+2ACN+2H"	84.067652
"1588214"	315.004728	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+K+HCOOH"	84.968628
"1429826"	345.036238	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+H+CF3COOH"	115.000138
"1161802"	177.565151	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+3ACN+2H"	125.094202
"1710982"	362.062785	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+NH4+CF3COOH"	132.026685
"1644446"	367.01818	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+Na+CF3COOH"	136.98208
"1575723"	382.99212	"C18350"	"Asulam"	"C8H10N2O4S"	"230.0361"	"M+K+CF3COOH"	152.95602
"806088"	125.0477	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M"	0
"976340"	106.02931	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-H2O-H"	-19.01839
"66769"	82.3578573333333	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M-3H"	-3.021828
"505234"	124.040424	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M-3H"	-3.021828
"887411"	40.6752906666667	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-3H"	-3.021828
"3798"	124.040424	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M-2H"	-2.014552
"447731"	186.564274	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M-2H"	-2.014552
"823345"	61.516574	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-2H"	-2.014552
"84432"	249.088124	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M-H"	-1.007276
"526180"	374.135824	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M-H"	-1.007276
"898515"	124.040424	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-H"	-1.007276
"53983"	266.114671	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M-2H+NH4"	16.019271
"491361"	391.162371	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M-2H+NH4"	16.019271
"868068"	141.066971	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-2H+NH4"	16.019271
"33412"	271.070066	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M-2H+Na"	20.974666
"471925"	396.117766	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M-2H+Na"	20.974666
"849318"	146.022366	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-2H+Na"	20.974666
"1623966"	146.022366	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Na-2H"	20.974666
"98308"	142.028763	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M-H+Cl"	33.962126
"549918"	204.552613	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M-H+Cl"	33.962126
"936863"	79.504913	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-H+Cl"	33.962126
"277607"	285.064802	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+Cl"	34.969402
"668935"	410.112502	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+Cl"	34.969402
"1279149"	160.017102	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Cl"	34.969402
"31064"	287.044006	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M-2H+K"	36.948606
"465642"	412.091706	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M-2H+K"	36.948606
"837976"	161.996306	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-2H+K"	36.948606
"1564747"	161.996306	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+K-2H"	36.948606
"952631"	170.045894	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-H+HCOOH"	44.998194
"370846"	295.093601	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+HCOOH-H"	44.998201
"349260"	309.109251	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+Hac-H"	59.013851
"1495906"	184.061551	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Hac-H"	59.013851
"963447"	192.027851	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-H+NaCOOH"	66.980151
"110523"	160.017102	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+2Cl"	69.938804
"550695"	222.540952	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+2Cl"	69.938804
"1022405"	97.493252	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2Cl"	69.938804
"1242023"	203.966585	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Br"	78.918885
"1305292"	206.022572	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Cl+HCOOH"	80.974872
"1331174"	228.004529	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Cl+NaCOOH"	102.956829
"923326"	238.033286	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M-H+CF3COOH"	112.985586
"1302223"	274.009964	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Cl+CF3COOH"	148.962264
"1381481"	90.035024	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H-2H2O"	-35.012676
"1390224"	108.045	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H-H2O"	-17.0027
"295378"	251.102676	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+H"	1.007276
"688893"	376.150376	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+H"	1.007276
"1361963"	126.054976	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H"	1.007276
"140930"	126.054976	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+2H"	2.014552
"579880"	188.578826	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+2H"	2.014552
"1051960"	63.531126	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2H"	2.014552
"218403"	84.3724093333333	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+3H"	3.021828
"657964"	126.054976	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+3H"	3.021828
"1175361"	42.6898426666667	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+3H"	3.021828
"437540"	268.129223	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+NH4"	18.033823
"799631"	393.176923	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+NH4"	18.033823
"1696653"	143.081523	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+NH4"	18.033823
"339866"	134.5682495	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+H+NH4"	19.041099
"738291"	197.0920995	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+H+NH4"	19.041099
"1492185"	72.0443995	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H+NH4"	19.041099
"405884"	273.084618	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+Na"	22.989218
"764697"	398.132318	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+Na"	22.989218
"1607326"	148.036918	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Na"	22.989218
"319551"	137.045947	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+H+Na"	23.996494
"710877"	199.569797	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+H+Na"	23.996494
"1467977"	74.522097	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H+Na"	23.996494
"1060129"	50.0171566666667	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2H+Na"	25.00377
"1265089"	158.081186	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+CH3OH+H"	33.033486
"385848"	289.058558	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+K"	38.963158
"742473"	414.106258	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+K"	38.963158
"1541245"	164.010858	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+K"	38.963158
"302796"	145.032917	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+H+K"	39.970434
"693150"	207.556767	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+H+K"	39.970434
"1447943"	82.509067	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H+K"	39.970434
"239827"	292.129226	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+ACN+H"	42.033826
"1216910"	167.081526	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+ACN+H"	42.033826
"1196422"	84.044401	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+ACN+2H"	43.041102
"192574"	295.06656	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+2Na-H"	44.97116
"637604"	420.11426	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+2Na-H"	44.97116
"1141109"	170.01886	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2Na-H"	44.97116
"177839"	148.036918	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+2Na"	45.978436
"620681"	210.560768	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+2Na"	45.978436
"1126375"	85.513068	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2Na"	45.978436
"1408808"	57.3444706666667	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H+2Na"	46.985712
"1437645"	172.060446	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H+HCOOH"	47.012746
"226248"	153.06994	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+3H2O+2H"	56.04448
"1515404"	186.11249	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+IsoProp+H"	61.06479
"415089"	156.023888	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+Na+K"	61.952376
"777176"	218.547738	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+Na+K"	61.952376
"1677887"	93.500038	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Na+K"	61.952376
"263314"	314.111168	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+ACN+Na"	64.015768
"1238938"	189.063468	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+ACN+Na"	64.015768
"1723815"	189.086993	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+NH4+HCOOH"	64.039293
"1190262"	64.6717846666667	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+3Na"	68.967654
"1657239"	194.042388	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Na+HCOOH"	68.994688
"167015"	327.01444	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+2K-H"	76.91904
"607669"	452.06214	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+2K-H"	76.91904
"1095462"	201.96674	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2K-H"	76.91904
"153371"	164.010858	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"2M+2K"	77.926316
"584187"	226.534708	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"3M+2K"	77.926316
"1071244"	101.487008	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2K"	77.926316
"1102025"	203.981292	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2K+H"	78.933592
"1338288"	204.068907	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+DMSO+H"	79.021207
"1008638"	208.108076	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2ACN+H"	83.060376
"1526761"	209.101708	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+IsoProp+Na+H"	84.054008
"991755"	104.557676	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+2ACN+2H"	84.067652
"1588081"	210.016328	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+K+HCOOH"	84.968628
"1428824"	240.047838	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+H+CF3COOH"	115.000138
"1162034"	125.070951	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+3ACN+2H"	125.094202
"1711092"	257.074385	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+NH4+CF3COOH"	132.026685
"1644556"	262.02978	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+Na+CF3COOH"	136.98208
"1575833"	278.00372	"C18351"	"4-Aminocatechol;4-Amino-12-benzenediol;34-Dihydroxyaniline"	"C6H7NO2"	"125.0477"	"M+K+CF3COOH"	152.95602
"807291"	166.0994	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M"	0
"977542"	147.08101	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"65785"	109.725657333333	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"507531"	165.092124	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"887521"	54.3591906666667	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"3908"	165.092124	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"444925"	248.141824	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"820904"	82.042424	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"82354"	331.191524	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"525199"	497.290924	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"901908"	165.092124	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"49722"	348.218071	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"487339"	514.317471	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"864303"	182.118671	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"31903"	353.173466	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"471626"	519.272866	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"848737"	187.074066	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1626263"	187.074066	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"98419"	183.080463	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"549732"	266.130163	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"939156"	100.030763	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"277717"	367.168202	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"669045"	533.267602	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1283634"	201.068802	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"30815"	369.147406	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"465752"	535.246806	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"845740"	203.048006	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1565951"	203.048006	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"953833"	211.097594	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"370956"	377.197001	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"353744"	391.212651	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1499296"	225.113251	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"963557"	233.079551	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"111491"	201.068802	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"553117"	284.118502	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1023010"	118.019102	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1244776"	245.018285	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1310506"	247.074272	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1324721"	269.056229	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"917968"	279.084986	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1300146"	315.061664	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1380493"	131.086724	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1395805"	149.0967	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"297312"	333.206076	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"685726"	499.305476	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1364260"	167.106676	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"137150"	167.106676	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"579991"	250.156376	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1050613"	84.056976	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"217786"	111.740209333333	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"655159"	167.106676	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1174378"	56.3737426666667	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"432183"	350.232623	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"799012"	516.332023	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1692790"	184.133223	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"339976"	175.6199495	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"738470"	258.6696495	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1491444"	92.5702495	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"406363"	355.188018	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"759340"	521.287418	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1609625"	189.088618	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"327313"	178.097647	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"715361"	261.147347	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1466995"	95.047947	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1058055"	63.7010566666667	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1261919"	199.132886	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"387051"	371.161958	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"740760"	537.261358	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1543542"	205.062558	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"300719"	186.084617	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"696425"	269.134317	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1453525"	103.034917	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"239207"	374.232626	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1213740"	208.133226	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1196167"	104.570251	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"192684"	377.16996	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"636620"	543.26936	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1143406"	211.07056	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"179407"	189.088618	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"620791"	272.138318	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1127579"	106.038918	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1409647"	71.0283706666667	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1435932"	213.112146	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"226358"	194.12164	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1519889"	227.16419	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"418481"	197.075588	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"776925"	280.125288	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1679092"	114.025888	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"264519"	396.214568	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1235041"	230.115168	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1719553"	230.138693	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1191467"	78.3556846666667	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1659169"	235.094088	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"167125"	409.11784	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"598425"	575.21724	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1095574"	243.01844	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"152392"	205.062558	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"590857"	288.112258	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1071718"	122.012858	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1102137"	245.032992	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1339495"	245.120607	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1007658"	249.159776	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1528338"	250.153408	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"999161"	125.083526	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1594758"	251.068028	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1419330"	281.099538	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1156179"	145.596801	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1698803"	298.126085	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1644666"	303.08148	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1575943"	319.05542	"C18352"	"Oxocamphor;10-Oxocamphor;beta-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"806310"	304.0947	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M"	0
"979842"	285.07631	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-H2O-H"	-19.01839
"64802"	201.722524	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M-3H"	-3.021828
"509831"	303.087424	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M-3H"	-3.021828
"885444"	100.357624	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-3H"	-3.021828
"6206"	303.087424	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M-2H"	-2.014552
"442483"	455.134774	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M-2H"	-2.014552
"819312"	151.040074	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-2H"	-2.014552
"79913"	607.182124	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M-H"	-1.007276
"519962"	911.276824	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M-H"	-1.007276
"896424"	303.087424	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-H"	-1.007276
"49829"	624.208671	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M-2H+NH4"	16.019271
"487808"	928.303371	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M-2H+NH4"	16.019271
"864509"	320.113971	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-2H+NH4"	16.019271
"35102"	629.164066	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M-2H+Na"	20.974666
"472474"	933.258766	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M-2H+Na"	20.974666
"849301"	325.069366	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-2H+Na"	20.974666
"1622001"	325.069366	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Na-2H"	20.974666
"106190"	321.075763	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M-H+Cl"	33.962126
"547572"	473.123113	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M-H+Cl"	33.962126
"934894"	169.028413	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-H+Cl"	33.962126
"277825"	643.158802	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+Cl"	34.969402
"674623"	947.253502	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+Cl"	34.969402
"1281557"	339.064102	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Cl"	34.969402
"29581"	645.138006	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M-2H+K"	36.948606
"463675"	949.232706	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M-2H+K"	36.948606
"845853"	341.043306	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-2H+K"	36.948606
"1564967"	341.043306	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+K-2H"	36.948606
"950664"	349.092894	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-H+HCOOH"	44.998194
"368878"	653.187601	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+HCOOH-H"	44.998201
"348386"	667.203251	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+Hac-H"	59.013851
"1496126"	363.108551	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Hac-H"	59.013851
"962573"	371.074851	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-H+NaCOOH"	66.980151
"111480"	339.064102	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+2Cl"	69.938804
"550432"	491.111452	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+2Cl"	69.938804
"1021577"	187.016752	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2Cl"	69.938804
"1242700"	383.013585	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Br"	78.918885
"1310616"	385.069572	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Cl+HCOOH"	80.974872
"1321187"	407.051529	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Cl+NaCOOH"	102.956829
"915162"	417.080286	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M-H+CF3COOH"	112.985586
"1299162"	453.056964	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Cl+CF3COOH"	148.962264
"1378417"	269.082024	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H-2H2O"	-35.012676
"1389352"	287.092	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H-H2O"	-17.0027
"295600"	609.196676	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+H"	1.007276
"689116"	913.291376	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+H"	1.007276
"1364370"	305.101976	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H"	1.007276
"137624"	305.101976	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+2H"	2.014552
"580587"	457.149326	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+2H"	2.014552
"1050722"	153.054626	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2H"	2.014552
"218987"	203.737076	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+3H"	3.021828
"655998"	305.101976	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+3H"	3.021828
"1175581"	102.372176	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+3H"	3.021828
"435938"	626.223223	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+NH4"	18.033823
"798753"	930.317923	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+NH4"	18.033823
"1696185"	322.128523	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+NH4"	18.033823
"338993"	313.6152495	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+H+NH4"	19.041099
"737733"	465.6625995	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+H+NH4"	19.041099
"1491555"	161.5678995	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H+NH4"	19.041099
"403920"	631.178618	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+Na"	22.989218
"760542"	935.273318	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+Na"	22.989218
"1609735"	327.083918	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Na"	22.989218
"319769"	316.092947	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+H+Na"	23.996494
"713285"	468.140297	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+H+Na"	23.996494
"1468200"	164.045597	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H+Na"	23.996494
"1059258"	109.69949	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2H+Na"	25.00377
"1257325"	337.128186	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+CH3OH+H"	33.033486
"377562"	647.152558	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+K"	38.963158
"738845"	951.247258	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+K"	38.963158
"1540207"	343.057858	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+K"	38.963158
"298714"	324.079917	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+H+K"	39.970434
"691744"	476.127267	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+H+K"	39.970434
"1447073"	172.032567	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H+K"	39.970434
"237865"	650.223226	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+ACN+H"	42.033826
"1211787"	346.128526	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+ACN+H"	42.033826
"1195180"	173.567901	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+ACN+2H"	43.041102
"190241"	653.16056	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+2Na-H"	44.97116
"633450"	957.25526	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+2Na-H"	44.97116
"1138050"	349.06586	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2Na-H"	44.97116
"176966"	327.083918	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+2Na"	45.978436
"617620"	479.131268	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+2Na"	45.978436
"1124408"	175.036568	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2Na"	45.978436
"1411218"	117.026804	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H+2Na"	46.985712
"1438959"	351.107446	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H+HCOOH"	47.012746
"228654"	332.11694	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+3H2O+2H"	56.04448
"1518901"	365.15949	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+IsoProp+H"	61.06479
"418589"	335.070888	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+Na+K"	61.952376
"779588"	487.118238	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+Na+K"	61.952376
"1678108"	183.023538	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Na+K"	61.952376
"264625"	672.205168	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+ACN+Na"	64.015768
"1236244"	368.110468	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+ACN+Na"	64.015768
"1726219"	368.133993	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+NH4+HCOOH"	64.039293
"1189388"	124.354118	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+3Na"	68.967654
"1662197"	373.089388	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Na+HCOOH"	68.994688
"166140"	685.10844	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+2K-H"	76.91904
"601327"	989.20314	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+2K-H"	76.91904
"1089119"	381.01374	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2K-H"	76.91904
"149217"	343.057858	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"2M+2K"	77.926316
"582212"	495.105208	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"3M+2K"	77.926316
"1068670"	191.010508	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2K"	77.926316
"1100664"	383.028292	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2K+H"	78.933592
"1339599"	383.115907	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+DMSO+H"	79.021207
"1005863"	387.155076	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2ACN+H"	83.060376
"1525408"	388.148708	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+IsoProp+Na+H"	84.054008
"992709"	194.081176	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+2ACN+2H"	84.067652
"1593784"	389.063328	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+K+HCOOH"	84.968628
"1422724"	419.094838	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+H+CF3COOH"	115.000138
"1148636"	214.594451	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+3ACN+2H"	125.094202
"1712681"	436.121385	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+NH4+CF3COOH"	132.026685
"1649838"	441.07678	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+Na+CF3COOH"	136.98208
"1585895"	457.05072	"C18354"	"(S)-Chiral alcohol"	"C16H16O6"	"304.0947"	"M+K+CF3COOH"	152.95602
"812981"	304.0947	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M"	0
"979953"	285.07631	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-H2O-H"	-19.01839
"67101"	201.722524	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M-3H"	-3.021828
"504107"	303.087424	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M-3H"	-3.021828
"886647"	100.357624	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-3H"	-3.021828
"5222"	303.087424	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M-2H"	-2.014552
"441866"	455.134774	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M-2H"	-2.014552
"820031"	151.040074	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-2H"	-2.014552
"79780"	607.182124	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M-H"	-1.007276
"519576"	911.276824	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M-H"	-1.007276
"897993"	303.087424	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-H"	-1.007276
"47790"	624.208671	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M-2H+NH4"	16.019271
"487671"	928.303371	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M-2H+NH4"	16.019271
"866217"	320.113971	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-2H+NH4"	16.019271
"32660"	629.164066	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M-2H+Na"	20.974666
"473679"	933.258766	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M-2H+Na"	20.974666
"853305"	325.069366	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-2H+Na"	20.974666
"1628676"	325.069366	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Na-2H"	20.974666
"104113"	321.075763	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M-H+Cl"	33.962126
"542582"	473.123113	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M-H+Cl"	33.962126
"937192"	169.028413	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-H+Cl"	33.962126
"273560"	643.158802	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+Cl"	34.969402
"670356"	947.253502	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+Cl"	34.969402
"1284948"	339.064102	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Cl"	34.969402
"29693"	645.138006	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M-2H+K"	36.948606
"468164"	949.232706	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M-2H+K"	36.948606
"847422"	341.043306	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-2H+K"	36.948606
"1565078"	341.043306	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+K-2H"	36.948606
"949680"	349.092894	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-H+HCOOH"	44.998194
"367894"	653.187601	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+HCOOH-H"	44.998201
"350685"	667.203251	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+Hac-H"	59.013851
"1494776"	363.108551	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Hac-H"	59.013851
"961588"	371.074851	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-H+NaCOOH"	66.980151
"112683"	339.064102	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+2Cl"	69.938804
"559902"	491.111452	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+2Cl"	69.938804
"1030887"	187.016752	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2Cl"	69.938804
"1249373"	383.013585	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Br"	78.918885
"1315104"	385.069572	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Cl+HCOOH"	80.974872
"1328225"	407.051529	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Cl+NaCOOH"	102.956829
"921471"	417.080286	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M-H+CF3COOH"	112.985586
"1299272"	453.056964	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Cl+CF3COOH"	148.962264
"1369777"	269.082024	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H-2H2O"	-35.012676
"1390555"	287.092	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H-H2O"	-17.0027
"291334"	609.196676	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+H"	1.007276
"687038"	913.291376	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+H"	1.007276
"1361198"	305.101976	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H"	1.007276
"139556"	305.101976	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+2H"	2.014552
"579116"	457.149326	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+2H"	2.014552
"1046821"	153.054626	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2H"	2.014552
"212536"	203.737076	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+3H"	3.021828
"651003"	305.101976	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+3H"	3.021828
"1176784"	102.372176	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+3H"	3.021828
"433495"	626.223223	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+NH4"	18.033823
"801184"	930.317923	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+NH4"	18.033823
"1696296"	322.128523	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+NH4"	18.033823
"340196"	313.6152495	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+H+NH4"	19.041099
"735900"	465.6625995	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+H+NH4"	19.041099
"1490814"	161.5678995	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H+NH4"	19.041099
"405125"	631.178618	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+Na"	22.989218
"763931"	935.273318	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+Na"	22.989218
"1614216"	327.083918	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Na"	22.989218
"324252"	316.092947	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+H+Na"	23.996494
"712301"	468.140297	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+H+Na"	23.996494
"1462839"	164.045597	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H+Na"	23.996494
"1054994"	109.69949	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2H+Na"	25.00377
"1259956"	337.128186	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+CH3OH+H"	33.033486
"377431"	647.152558	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+K"	38.963158
"739522"	951.247258	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+K"	38.963158
"1540600"	343.057858	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+K"	38.963158
"298873"	324.079917	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+H+K"	39.970434
"692391"	476.127267	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+H+K"	39.970434
"1448279"	172.032567	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H+K"	39.970434
"239068"	650.223226	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+ACN+H"	42.033826
"1209973"	346.128526	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+ACN+H"	42.033826
"1195659"	173.567901	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+ACN+2H"	43.041102
"189986"	653.16056	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+2Na-H"	44.97116
"630642"	957.25526	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+2Na-H"	44.97116
"1132689"	349.06586	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2Na-H"	44.97116
"176346"	327.083918	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+2Na"	45.978436
"615908"	479.131268	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+2Na"	45.978436
"1128899"	175.036568	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2Na"	45.978436
"1409142"	117.026804	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H+2Na"	46.985712
"1436882"	351.107446	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H+HCOOH"	47.012746
"228763"	332.11694	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+3H2O+2H"	56.04448
"1514642"	365.15949	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+IsoProp+H"	61.06479
"418706"	335.070888	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+Na+K"	61.952376
"779702"	487.118238	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+Na+K"	61.952376
"1674938"	183.023538	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Na+K"	61.952376
"261094"	672.205168	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+ACN+Na"	64.015768
"1233075"	368.110468	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+ACN+Na"	64.015768
"1723050"	368.133993	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+NH4+HCOOH"	64.039293
"1179168"	124.354118	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+3Na"	68.967654
"1659390"	373.089388	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Na+HCOOH"	68.994688
"169168"	685.10844	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+2K-H"	76.91904
"604716"	989.20314	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+2K-H"	76.91904
"1087038"	381.01374	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2K-H"	76.91904
"141829"	343.057858	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"2M+2K"	77.926316
"582086"	495.105208	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"3M+2K"	77.926316
"1068590"	191.010508	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2K"	77.926316
"1101501"	383.028292	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2K+H"	78.933592
"1337887"	383.115907	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+DMSO+H"	79.021207
"1007510"	387.155076	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2ACN+H"	83.060376
"1525518"	388.148708	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+IsoProp+Na+H"	84.054008
"1005553"	194.081176	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+2ACN+2H"	84.067652
"1599363"	389.063328	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+K+HCOOH"	84.968628
"1421741"	419.094838	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+H+CF3COOH"	115.000138
"1160783"	214.594451	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+3ACN+2H"	125.094202
"1712524"	436.121385	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+NH4+CF3COOH"	132.026685
"1648172"	441.07678	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+Na+CF3COOH"	136.98208
"1582725"	457.05072	"C18356"	"(S)-Hemiketal"	"C16H16O6"	"304.0947"	"M+K+CF3COOH"	152.95602
"813093"	320.0896	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M"	0
"982251"	301.07121	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-H2O-H"	-19.01839
"64657"	212.385790666667	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M-3H"	-3.021828
"504948"	319.082324	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M-3H"	-3.021828
"884570"	105.689257333333	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-3H"	-3.021828
"2051"	319.082324	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M-2H"	-2.014552
"444892"	479.127124	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M-2H"	-2.014552
"819047"	159.037524	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-2H"	-2.014552
"80499"	639.171924	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M-H"	-1.007276
"518839"	959.261524	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M-H"	-1.007276
"896194"	319.082324	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-H"	-1.007276
"53336"	656.198471	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M-2H+NH4"	16.019271
"489133"	976.288071	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M-2H+NH4"	16.019271
"866692"	336.108871	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-2H+NH4"	16.019271
"34594"	661.153866	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M-2H+Na"	20.974666
"477074"	981.243466	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M-2H+Na"	20.974666
"857068"	341.064266	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-2H+Na"	20.974666
"1627695"	341.064266	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Na-2H"	20.974666
"107510"	337.070663	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M-H+Cl"	33.962126
"542696"	497.115463	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M-H+Cl"	33.962126
"932928"	177.025863	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-H+Cl"	33.962126
"274766"	675.148602	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+Cl"	34.969402
"673508"	995.238202	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+Cl"	34.969402
"1285794"	355.059002	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Cl"	34.969402
"22155"	677.127806	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M-2H+K"	36.948606
"464993"	997.217406	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M-2H+K"	36.948606
"844982"	357.038206	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-2H+K"	36.948606
"1565188"	357.038206	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+K-2H"	36.948606
"949790"	365.087794	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-H+HCOOH"	44.998194
"369099"	685.177401	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+HCOOH-H"	44.998201
"348607"	699.193051	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+Hac-H"	59.013851
"1495252"	379.103451	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Hac-H"	59.013851
"961702"	387.069751	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-H+NaCOOH"	66.980151
"122640"	355.059002	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+2Cl"	69.938804
"558918"	515.103802	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+2Cl"	69.938804
"1031000"	195.014202	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2Cl"	69.938804
"1253497"	399.008485	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Br"	78.918885
"1314121"	401.064472	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Cl+HCOOH"	80.974872
"1325055"	423.046429	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Cl+NaCOOH"	102.956829
"921582"	433.075186	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M-H+CF3COOH"	112.985586
"1293916"	469.051864	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Cl+CF3COOH"	148.962264
"1370982"	285.076924	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H-2H2O"	-35.012676
"1387384"	303.0869	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H-H2O"	-17.0027
"294728"	641.186476	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+H"	1.007276
"687148"	961.276076	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+H"	1.007276
"1363498"	321.096876	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H"	1.007276
"136384"	321.096876	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+2H"	2.014552
"573759"	481.141676	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+2H"	2.014552
"1049122"	161.052076	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2H"	2.014552
"218850"	214.400342666667	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+3H"	3.021828
"652208"	321.096876	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+3H"	3.021828
"1169603"	107.703809333333	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+3H"	3.021828
"437259"	658.213023	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+NH4"	18.033823
"800076"	978.302623	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+NH4"	18.033823
"1695312"	338.123423	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+NH4"	18.033823
"339215"	329.6101495	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+H+NH4"	19.041099
"733823"	489.6549495	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+H+NH4"	19.041099
"1487647"	169.5653495	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H+NH4"	19.041099
"404139"	663.168418	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+Na"	22.989218
"765134"	983.258018	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+Na"	22.989218
"1614324"	343.078818	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Na"	22.989218
"326548"	332.087847	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+H+Na"	23.996494
"718970"	492.132647	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+H+Na"	23.996494
"1461899"	172.043047	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H+Na"	23.996494
"1055108"	115.031123333333	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2H+Na"	25.00377
"1259699"	353.123086	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+CH3OH+H"	33.033486
"381189"	679.142358	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+K"	38.963158
"739388"	999.231958	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+K"	38.963158
"1540468"	359.052758	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+K"	38.963158
"301048"	340.074817	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+H+K"	39.970434
"696757"	500.119617	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+H+K"	39.970434
"1449849"	180.030017	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H+K"	39.970434
"242461"	682.213026	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+ACN+H"	42.033826
"1215171"	362.123426	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+ACN+H"	42.033826
"1201241"	181.565351	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+ACN+2H"	43.041102
"192288"	685.15036	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+2Na-H"	44.97116
"632210"	1005.23996	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+2Na-H"	44.97116
"1136085"	365.06076	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2Na-H"	44.97116
"178283"	343.078818	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+2Na"	45.978436
"622217"	503.123618	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+2Na"	45.978436
"1123542"	183.034018	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2Na"	45.978436
"1409252"	122.358437333333	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H+2Na"	46.985712
"1436995"	367.102346	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H+HCOOH"	47.012746
"229972"	348.11184	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+3H2O+2H"	56.04448
"1513667"	381.15439	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+IsoProp+H"	61.06479
"415903"	351.065788	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+Na+K"	61.952376
"774346"	511.110588	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+Na+K"	61.952376
"1675048"	191.020988	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Na+K"	61.952376
"260476"	704.194968	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+ACN+Na"	64.015768
"1230633"	384.105368	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+ACN+Na"	64.015768
"1722433"	384.128893	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+NH4+HCOOH"	64.039293
"1187421"	129.685751333333	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+3Na"	68.967654
"1660595"	389.084288	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Na+HCOOH"	68.994688
"160894"	717.09824	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+2K-H"	76.91904
"601910"	1037.18784	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+2K-H"	76.91904
"1084678"	397.00864	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2K-H"	76.91904
"142152"	359.052758	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"2M+2K"	77.926316
"581744"	519.097558	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"3M+2K"	77.926316
"1070104"	199.007958	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2K"	77.926316
"1102707"	399.023192	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2K+H"	78.933592
"1337025"	399.110807	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+DMSO+H"	79.021207
"1006285"	403.149976	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2ACN+H"	83.060376
"1538769"	404.143608	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+IsoProp+Na+H"	84.054008
"1005215"	202.078626	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+2ACN+2H"	84.067652
"1596193"	405.058228	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+K+HCOOH"	84.968628
"1424044"	435.089738	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+H+CF3COOH"	115.000138
"1160894"	222.591901	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+3ACN+2H"	125.094202
"1711536"	452.116285	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+NH4+CF3COOH"	132.026685
"1648280"	457.07168	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+Na+CF3COOH"	136.98208
"1579555"	473.04562	"C18358"	"DHKred-OH;Hydroxylated dihydrokalafungin dihydroquinone"	"C16H16O7"	"320.0896"	"M+K+CF3COOH"	152.95602
"813203"	446.1213	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M"	0
"982361"	427.10291	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-H2O-H"	-19.01839
"63795"	296.406924	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M-3H"	-3.021828
"504329"	445.114024	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M-3H"	-3.021828
"882494"	147.699824	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-3H"	-3.021828
"3254"	445.114024	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M-2H"	-2.014552
"442816"	668.174674	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M-2H"	-2.014552
"817822"	222.053374	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-2H"	-2.014552
"80974"	891.235324	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M-H"	-1.007276
"519317"	1337.356624	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M-H"	-1.007276
"895777"	445.114024	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-H"	-1.007276
"51260"	908.261871	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M-2H+NH4"	16.019271
"490824"	1354.383171	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M-2H+NH4"	16.019271
"868625"	462.140571	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-2H+NH4"	16.019271
"34460"	913.217266	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M-2H+Na"	20.974666
"481558"	1359.338566	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M-2H+Na"	20.974666
"854626"	467.095966	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-2H+Na"	20.974666
"1627805"	467.095966	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Na-2H"	20.974666
"109647"	463.102363	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M-H+Cl"	33.962126
"544993"	686.163013	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M-H+Cl"	33.962126
"933038"	240.041713	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-H+Cl"	33.962126
"277062"	927.212002	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+Cl"	34.969402
"673739"	1373.333302	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+Cl"	34.969402
"1286270"	481.090702	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Cl"	34.969402
"23359"	929.191206	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M-2H+K"	36.948606
"461824"	1375.312506	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M-2H+K"	36.948606
"841812"	483.069906	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-2H+K"	36.948606
"1564205"	483.069906	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+K-2H"	36.948606
"953180"	491.119494	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-H+HCOOH"	44.998194
"369209"	937.240801	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+HCOOH-H"	44.998201
"350904"	951.256451	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+Hac-H"	59.013851
"1495362"	505.135151	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Hac-H"	59.013851
"962905"	513.101451	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-H+NaCOOH"	66.980151
"121292"	481.090702	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+2Cl"	69.938804
"555749"	704.151352	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+2Cl"	69.938804
"1031110"	258.030052	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2Cl"	69.938804
"1254701"	525.040185	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Br"	78.918885
"1315324"	527.096172	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Cl+HCOOH"	80.974872
"1326258"	549.078129	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Cl+NaCOOH"	102.956829
"921692"	559.106886	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M-H+CF3COOH"	112.985586
"1295119"	595.083564	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Cl+CF3COOH"	148.962264
"1375465"	411.108624	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H-2H2O"	-35.012676
"1394055"	429.1186	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H-H2O"	-17.0027
"296660"	893.249876	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+H"	1.007276
"688351"	1339.371176	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+H"	1.007276
"1365796"	447.128576	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H"	1.007276
"139049"	447.128576	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+2H"	2.014552
"573870"	670.189226	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+2H"	2.014552
"1049232"	224.067926	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2H"	2.014552
"219568"	298.421476	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+3H"	3.021828
"654505"	447.128576	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+3H"	3.021828
"1175912"	149.714376	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+3H"	3.021828
"438462"	910.276423	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+NH4"	18.033823
"800915"	1356.397723	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+NH4"	18.033823
"1693598"	464.155123	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+NH4"	18.033823
"339325"	455.6418495	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+H+NH4"	19.041099
"731747"	678.7024995	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+H+NH4"	19.041099
"1489579"	232.5811995	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H+NH4"	19.041099
"406071"	915.231818	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+Na"	22.989218
"766338"	1361.353118	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+Na"	22.989218
"1615166"	469.110518	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Na"	22.989218
"326659"	458.119547	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+H+Na"	23.996494
"719082"	681.180197	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+H+Na"	23.996494
"1462333"	235.058897	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H+Na"	23.996494
"1057405"	157.04169	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2H+Na"	25.00377
"1260176"	479.154786	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+CH3OH+H"	33.033486
"380934"	931.205758	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+K"	38.963158
"739253"	1377.327058	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+K"	38.963158
"1540210"	485.084458	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+K"	38.963158
"301158"	466.106517	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+H+K"	39.970434
"695773"	689.167167	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+H+K"	39.970434
"1448497"	243.045867	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H+K"	39.970434
"239290"	934.276426	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+ACN+H"	42.033826
"1215281"	488.155126	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+ACN+H"	42.033826
"1196245"	244.581201	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+ACN+2H"	43.041102
"192398"	937.21376	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+2Na-H"	44.97116
"631592"	1383.33506	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+2Na-H"	44.97116
"1136195"	491.09246	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2Na-H"	44.97116
"178757"	469.110518	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+2Na"	45.978436
"622327"	692.171168	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+2Na"	45.978436
"1124745"	246.049868	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2Na"	45.978436
"1404987"	164.369004	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H+2Na"	46.985712
"1439289"	493.134046	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H+HCOOH"	47.012746
"231175"	474.14354	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+3H2O+2H"	56.04448
"1516692"	507.18609	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+IsoProp+H"	61.06479
"417835"	477.097488	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+Na+K"	61.952376
"781016"	700.158138	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+Na+K"	61.952376
"1677345"	254.036838	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Na+K"	61.952376
"263502"	956.258368	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+ACN+Na"	64.015768
"1237302"	510.137068	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+ACN+Na"	64.015768
"1723272"	510.160593	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+NH4+HCOOH"	64.039293
"1189718"	171.696318	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+3Na"	68.967654
"1659611"	515.115988	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Na+HCOOH"	68.994688
"161004"	969.16164	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+2K-H"	76.91904
"600926"	1415.28294	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+2K-H"	76.91904
"1085560"	523.04034	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2K-H"	76.91904
"142137"	485.084458	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"2M+2K"	77.926316
"582055"	708.145108	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"3M+2K"	77.926316
"1069242"	262.023808	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2K"	77.926316
"1100749"	525.054892	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2K+H"	78.933592
"1336771"	525.142507	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+DMSO+H"	79.021207
"1007002"	529.181676	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2ACN+H"	83.060376
"1537541"	530.175308	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+IsoProp+Na+H"	84.054008
"1004354"	265.094476	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+2ACN+2H"	84.067652
"1596303"	531.089928	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+K+HCOOH"	84.968628
"1429586"	561.121438	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+H+CF3COOH"	115.000138
"1162668"	285.607751	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+3ACN+2H"	125.094202
"1710189"	578.147985	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+NH4+CF3COOH"	132.026685
"1648390"	583.10338	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+Na+CF3COOH"	136.98208
"1579665"	599.07732	"C18359"	"Dihydrogranaticin"	"C22H22O10"	"446.1213"	"M+K+CF3COOH"	152.95602
"813313"	304.0947	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M"	0
"982471"	285.07631	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-H2O-H"	-19.01839
"65243"	201.722524	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M-3H"	-3.021828
"504804"	303.087424	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M-3H"	-3.021828
"885884"	100.357624	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-3H"	-3.021828
"3365"	303.087424	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M-2H"	-2.014552
"446206"	455.134774	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M-2H"	-2.014552
"817445"	151.040074	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-2H"	-2.014552
"79382"	607.182124	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M-H"	-1.007276
"518776"	911.276824	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M-H"	-1.007276
"896985"	303.087424	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-H"	-1.007276
"48086"	624.208671	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M-2H+NH4"	16.019271
"490937"	928.303371	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M-2H+NH4"	16.019271
"867642"	320.113971	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-2H+NH4"	16.019271
"35179"	629.164066	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M-2H+Na"	20.974666
"481668"	933.258766	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M-2H+Na"	20.974666
"857288"	325.069366	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-2H+Na"	20.974666
"1623904"	325.069366	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Na-2H"	20.974666
"109801"	321.075763	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M-H+Cl"	33.962126
"549111"	473.123113	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M-H+Cl"	33.962126
"933148"	169.028413	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-H+Cl"	33.962126
"280088"	643.158802	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+Cl"	34.969402
"675066"	947.253502	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+Cl"	34.969402
"1286380"	339.064102	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Cl"	34.969402
"24562"	645.138006	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M-2H+K"	36.948606
"467401"	949.232706	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M-2H+K"	36.948606
"845201"	341.043306	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-2H+K"	36.948606
"1564315"	341.043306	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+K-2H"	36.948606
"950010"	349.092894	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-H+HCOOH"	44.998194
"368225"	653.187601	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+HCOOH-H"	44.998201
"354294"	667.203251	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+Hac-H"	59.013851
"1497659"	363.108551	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Hac-H"	59.013851
"960826"	371.074851	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-H+NaCOOH"	66.980151
"117390"	339.064102	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+2Cl"	69.938804
"553669"	491.111452	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+2Cl"	69.938804
"1031220"	187.016752	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2Cl"	69.938804
"1250799"	383.013585	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Br"	78.918885
"1315435"	385.069572	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Cl+HCOOH"	80.974872
"1330743"	407.051529	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Cl+NaCOOH"	102.956829
"922897"	417.080286	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M-H+CF3COOH"	112.985586
"1299604"	453.056964	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Cl+CF3COOH"	148.962264
"1376670"	269.082024	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H-2H2O"	-35.012676
"1391980"	287.092	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H-H2O"	-17.0027
"296770"	609.196676	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+H"	1.007276
"688461"	913.291376	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+H"	1.007276
"1363718"	305.101976	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H"	1.007276
"139888"	305.101976	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+2H"	2.014552
"575074"	457.149326	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+2H"	2.014552
"1048246"	153.054626	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2H"	2.014552
"218707"	203.737076	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+3H"	3.021828
"657411"	305.101976	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+3H"	3.021828
"1170552"	102.372176	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+3H"	3.021828
"436751"	626.223223	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+NH4"	18.033823
"799570"	930.317923	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+NH4"	18.033823
"1694073"	322.128523	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+NH4"	18.033823
"345150"	313.6152495	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+H+NH4"	19.041099
"736963"	465.6625995	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+H+NH4"	19.041099
"1489330"	161.5678995	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H+NH4"	19.041099
"407279"	631.178618	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+Na"	22.989218
"768274"	935.273318	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+Na"	22.989218
"1614549"	327.083918	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Na"	22.989218
"327138"	316.092947	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+H+Na"	23.996494
"718099"	468.140297	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+H+Na"	23.996494
"1463174"	164.045597	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H+Na"	23.996494
"1056786"	109.69949	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2H+Na"	25.00377
"1259192"	337.128186	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+CH3OH+H"	33.033486
"382139"	647.152558	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+K"	38.963158
"742040"	951.247258	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+K"	38.963158
"1540933"	343.057858	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+K"	38.963158
"298876"	324.079917	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+H+K"	39.970434
"695883"	476.127267	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+H+K"	39.970434
"1447879"	172.032567	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H+K"	39.970434
"241586"	650.223226	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+ACN+H"	42.033826
"1213203"	346.128526	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+ACN+H"	42.033826
"1196720"	173.567901	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+ACN+2H"	43.041102
"193237"	653.16056	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+2Na-H"	44.97116
"632799"	957.25526	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+2Na-H"	44.97116
"1138492"	349.06586	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2Na-H"	44.97116
"178867"	327.083918	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+2Na"	45.978436
"627540"	479.131268	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+2Na"	45.978436
"1124854"	175.036568	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2Na"	45.978436
"1407283"	117.026804	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H+2Na"	46.985712
"1441586"	351.107446	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H+HCOOH"	47.012746
"228004"	332.11694	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+3H2O+2H"	56.04448
"1519352"	365.15949	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+IsoProp+H"	61.06479
"421224"	335.070888	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+Na+K"	61.952376
"781855"	487.118238	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+Na+K"	61.952376
"1679520"	183.023538	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Na+K"	61.952376
"265674"	672.205168	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+ACN+Na"	64.015768
"1237775"	368.110468	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+ACN+Na"	64.015768
"1716822"	368.133993	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+NH4+HCOOH"	64.039293
"1189828"	124.354118	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+3Na"	68.967654
"1658629"	373.089388	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Na+HCOOH"	68.994688
"165488"	685.10844	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+2K-H"	76.91904
"603956"	989.20314	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+2K-H"	76.91904
"1085306"	381.01374	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2K-H"	76.91904
"141487"	343.057858	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"2M+2K"	77.926316
"581642"	495.105208	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"3M+2K"	77.926316
"1068986"	191.010508	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2K"	77.926316
"1100050"	383.028292	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2K+H"	78.933592
"1336758"	383.115907	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+DMSO+H"	79.021207
"1005817"	387.155076	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2ACN+H"	83.060376
"1536920"	388.148708	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+IsoProp+Na+H"	84.054008
"1004464"	194.081176	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+2ACN+2H"	84.067652
"1596413"	389.063328	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+K+HCOOH"	84.968628
"1429655"	419.094838	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+H+CF3COOH"	115.000138
"1162493"	214.594451	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+3ACN+2H"	125.094202
"1709206"	436.121385	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+NH4+CF3COOH"	132.026685
"1648136"	441.07678	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+Na+CF3COOH"	136.98208
"1579775"	457.05072	"C18360"	"Dihydrokalafungin dihydroquinone form;DHKred"	"C16H16O6"	"304.0947"	"M+K+CF3COOH"	152.95602
"813423"	497.1996	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M"	0
"979300"	478.18121	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-H2O-H"	-19.01839
"63531"	330.459124	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M-3H"	-3.021828
"504912"	496.192324	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M-3H"	-3.021828
"887088"	164.725924	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-3H"	-3.021828
"10037"	496.192324	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M-2H"	-2.014552
"447410"	744.792124	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M-2H"	-2.014552
"817427"	247.592524	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-2H"	-2.014552
"81195"	993.391924	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M-H"	-1.007276
"518843"	1490.591524	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M-H"	-1.007276
"896161"	496.192324	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-H"	-1.007276
"47749"	1010.418471	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M-2H+NH4"	16.019271
"489223"	1507.618071	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M-2H+NH4"	16.019271
"867751"	513.218871	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-2H+NH4"	16.019271
"34560"	1015.373866	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M-2H+Na"	20.974666
"481779"	1512.573466	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M-2H+Na"	20.974666
"857398"	518.174266	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-2H+Na"	20.974666
"1624745"	518.174266	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Na-2H"	20.974666
"108569"	514.180663	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M-H+Cl"	33.962126
"545213"	762.780463	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M-H+Cl"	33.962126
"938725"	265.580863	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-H+Cl"	33.962126
"280198"	1029.368602	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+Cl"	34.969402
"674809"	1526.568202	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+Cl"	34.969402
"1284301"	532.169002	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Cl"	34.969402
"24671"	1031.347806	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M-2H+K"	36.948606
"464231"	1528.547406	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M-2H+K"	36.948606
"843124"	534.148206	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-2H+K"	36.948606
"1563333"	534.148206	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+K-2H"	36.948606
"953400"	542.197794	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-H+HCOOH"	44.998194
"369429"	1039.397401	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+HCOOH-H"	44.998201
"353313"	1053.413051	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+Hac-H"	59.013851
"1496676"	556.213451	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Hac-H"	59.013851
"965312"	564.179751	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-H+NaCOOH"	66.980151
"115312"	532.169002	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+2Cl"	69.938804
"553779"	780.768802	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+2Cl"	69.938804
"1028049"	283.569202	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2Cl"	69.938804
"1250909"	576.118485	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Br"	78.918885
"1316638"	578.174472	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Cl+HCOOH"	80.974872
"1330853"	600.156429	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Cl+NaCOOH"	102.956829
"923007"	610.185186	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M-H+CF3COOH"	112.985586
"1296434"	646.161864	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Cl+CF3COOH"	148.962264
"1374593"	462.186924	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H-2H2O"	-35.012676
"1393183"	480.1969	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H-H2O"	-17.0027
"291776"	995.406476	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+H"	1.007276
"687478"	1492.606076	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+H"	1.007276
"1358358"	498.206876	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H"	1.007276
"133435"	498.206876	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+2H"	2.014552
"575184"	746.806676	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+2H"	2.014552
"1048355"	249.607076	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2H"	2.014552
"218090"	332.473676	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+3H"	3.021828
"657885"	498.206876	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+3H"	3.021828
"1170662"	166.740476	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+3H"	3.021828
"436861"	1012.433023	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+NH4"	18.033823
"797129"	1509.632623	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+NH4"	18.033823
"1694916"	515.233423	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+NH4"	18.033823
"344653"	506.7201495	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+H+NH4"	19.041099
"737318"	755.3199495	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+H+NH4"	19.041099
"1491263"	258.1203495	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H+NH4"	19.041099
"407024"	1017.388418	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+Na"	22.989218
"767657"	1514.588018	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+Na"	22.989218
"1614660"	520.188818	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Na"	22.989218
"325427"	509.197847	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+H+Na"	23.996494
"711650"	757.797647	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+H+Na"	23.996494
"1462185"	260.598047	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H+Na"	23.996494
"1053491"	174.06779	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2H+Na"	25.00377
"1257073"	530.233086	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+CH3OH+H"	33.033486
"378970"	1033.362358	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+K"	38.963158
"741057"	1530.561958	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+K"	38.963158
"1540191"	536.162758	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+K"	38.963158
"299555"	517.184817	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+H+K"	39.970434
"699273"	765.784617	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+H+K"	39.970434
"1447625"	268.585017	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H+K"	39.970434
"241696"	1036.433026	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+ACN+H"	42.033826
"1213315"	539.233426	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+ACN+H"	42.033826
"1199384"	270.120351	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+ACN+2H"	43.041102
"193348"	1039.37036	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+2Na-H"	44.97116
"643361"	1536.56996	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+2Na-H"	44.97116
"1144070"	542.17076	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2Na-H"	44.97116
"178977"	520.188818	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+2Na"	45.978436
"624733"	768.788618	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+2Na"	45.978436
"1126057"	271.589018	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2Na"	45.978436
"1407394"	181.395104	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H+2Na"	46.985712
"1438415"	544.212346	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H+HCOOH"	47.012746
"225927"	525.22184	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+3H2O+2H"	56.04448
"1519458"	558.26439	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+IsoProp+H"	61.06479
"419145"	528.175788	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+Na+K"	61.952376
"780507"	776.775588	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+Na+K"	61.952376
"1677565"	279.575988	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Na+K"	61.952376
"262990"	1058.414968	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+ACN+Na"	64.015768
"1236065"	561.215368	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+ACN+Na"	64.015768
"1716929"	561.238893	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+NH4+HCOOH"	64.039293
"1185565"	188.722418	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+3Na"	68.967654
"1656553"	566.194288	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Na+HCOOH"	68.994688
"158671"	1071.31824	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+2K-H"	76.91904
"600058"	1568.51784	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+2K-H"	76.91904
"1084278"	574.11864	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2K-H"	76.91904
"141788"	536.162758	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"2M+2K"	77.926316
"581915"	784.762558	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"3M+2K"	77.926316
"1068777"	287.562958	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2K"	77.926316
"1100274"	576.133192	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2K+H"	78.933592
"1337240"	576.220807	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+DMSO+H"	79.021207
"1005811"	580.259976	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2ACN+H"	83.060376
"1537758"	581.253608	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+IsoProp+Na+H"	84.054008
"1003846"	290.633626	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+2ACN+2H"	84.067652
"1597616"	582.168228	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+K+HCOOH"	84.968628
"1429112"	612.199738	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+H+CF3COOH"	115.000138
"1161219"	311.146901	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+3ACN+2H"	125.094202
"1710409"	629.226285	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+NH4+CF3COOH"	132.026685
"1648246"	634.18168	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+Na+CF3COOH"	136.98208
"1579885"	650.15562	"C18361"	"Mafoprazine mesylate"	"C22H28FN3O3CH4SO3"	"497.1996"	"M+K+CF3COOH"	152.95602
"816576"	385.1193	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M"	0
"988888"	366.10091	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-H2O-H"	-19.01839
"73120"	255.738924	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M-3H"	-3.021828
"508306"	384.112024	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M-3H"	-3.021828
"886107"	127.365824	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-3H"	-3.021828
"3586"	384.112024	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M-2H"	-2.014552
"449707"	576.671674	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M-2H"	-2.014552
"819854"	191.552374	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-2H"	-2.014552
"87502"	769.231324	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M-H"	-1.007276
"523052"	1154.350624	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M-H"	-1.007276
"898668"	384.112024	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-H"	-1.007276
"53777"	786.257871	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M-2H+NH4"	16.019271
"491885"	1171.377171	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M-2H+NH4"	16.019271
"870414"	401.138571	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-2H+NH4"	16.019271
"38315"	791.213266	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M-2H+Na"	20.974666
"483713"	1176.332566	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M-2H+Na"	20.974666
"858966"	406.093966	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-2H+Na"	20.974666
"1627770"	406.093966	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Na-2H"	20.974666
"109411"	402.100363	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M-H+Cl"	33.962126
"549254"	594.660013	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M-H+Cl"	33.962126
"938835"	209.540713	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-H+Cl"	33.962126
"277393"	805.208002	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+Cl"	34.969402
"674069"	1190.327302	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+Cl"	34.969402
"1287692"	420.088702	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Cl"	34.969402
"28062"	807.187206	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M-2H+K"	36.948606
"468715"	1192.306506	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M-2H+K"	36.948606
"846514"	422.067906	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-2H+K"	36.948606
"1570248"	422.067906	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+K-2H"	36.948606
"958285"	430.117494	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-H+HCOOH"	44.998194
"372819"	815.236801	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+HCOOH-H"	44.998201
"355610"	829.252451	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+Hac-H"	59.013851
"1502253"	444.133151	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Hac-H"	59.013851
"968702"	452.099451	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-H+NaCOOH"	66.980151
"114331"	420.088702	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+2Cl"	69.938804
"553890"	612.648352	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+2Cl"	69.938804
"1028159"	227.529052	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2Cl"	69.938804
"1251019"	464.038185	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Br"	78.918885
"1318573"	466.094172	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Cl+HCOOH"	80.974872
"1335342"	488.076129	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Cl+NaCOOH"	102.956829
"926033"	498.104886	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M-H+CF3COOH"	112.985586
"1300918"	534.081564	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Cl+CF3COOH"	148.962264
"1380171"	350.106624	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H-2H2O"	-35.012676
"1397668"	368.1166	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H-H2O"	-17.0027
"297968"	771.245876	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+H"	1.007276
"690510"	1156.365176	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+H"	1.007276
"1366247"	386.126576	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H"	1.007276
"139742"	386.126576	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+2H"	2.014552
"579546"	578.686226	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+2H"	2.014552
"1052318"	193.566926	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2H"	2.014552
"219893"	257.753476	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+3H"	3.021828
"659697"	386.126576	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+3H"	3.021828
"1177828"	129.380376	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+3H"	3.021828
"436972"	788.272423	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+NH4"	18.033823
"800159"	1173.391723	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+NH4"	18.033823
"1696002"	403.153123	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+NH4"	18.033823
"344037"	394.6398495	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+H+NH4"	19.041099
"737066"	587.1994995	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+H+NH4"	19.041099
"1489188"	202.0801995	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H+NH4"	19.041099
"406407"	793.227818	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+Na"	22.989218
"766312"	1178.347118	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+Na"	22.989218
"1615866"	408.108518	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Na"	22.989218
"327359"	397.117547	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+H+Na"	23.996494
"716134"	589.677197	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+H+Na"	23.996494
"1472141"	204.557897	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H+Na"	23.996494
"1055546"	136.70769	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2H+Na"	25.00377
"1261595"	418.152786	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+CH3OH+H"	33.033486
"379080"	809.201758	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+K"	38.963158
"741532"	1194.321058	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+K"	38.963158
"1540221"	424.082458	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+K"	38.963158
"298939"	405.104517	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+H+K"	39.970434
"701571"	597.664167	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+H+K"	39.970434
"1451017"	212.544867	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H+K"	39.970434
"239620"	812.272426	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+ACN+H"	42.033826
"1211596"	427.153126	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+ACN+H"	42.033826
"1197667"	214.080201	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+ACN+2H"	43.041102
"193457"	815.20976	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+2Na-H"	44.97116
"633019"	1200.32906	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+2Na-H"	44.97116
"1134339"	430.09046	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2Na-H"	44.97116
"176535"	408.108518	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+2Na"	45.978436
"621563"	600.668168	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+2Na"	45.978436
"1123981"	215.548868	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2Na"	45.978436
"1411879"	144.035004	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H+2Na"	46.985712
"1435609"	432.132046	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H+HCOOH"	47.012746
"229317"	413.14154	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+3H2O+2H"	56.04448
"1520663"	446.18409	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+IsoProp+H"	61.06479
"420349"	416.095488	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+Na+K"	61.952376
"780618"	608.655138	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+Na+K"	61.952376
"1674398"	223.535838	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Na+K"	61.952376
"262008"	834.254368	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+ACN+Na"	64.015768
"1237997"	449.135068	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+ACN+Na"	64.015768
"1720323"	449.158593	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+NH4+HCOOH"	64.039293
"1185677"	151.362318	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+3Na"	68.967654
"1661037"	454.113988	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Na+HCOOH"	68.994688
"160604"	847.15764	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+2K-H"	76.91904
"600898"	1232.27694	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+2K-H"	76.91904
"1085776"	462.03834	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2K-H"	76.91904
"144415"	424.082458	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"2M+2K"	77.926316
"587258"	616.642108	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"3M+2K"	77.926316
"1070677"	231.522808	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2K"	77.926316
"1099930"	464.052892	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2K+H"	78.933592
"1335846"	464.140507	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+DMSO+H"	79.021207
"1009890"	468.179676	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2ACN+H"	83.060376
"1539691"	469.173308	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+IsoProp+Na+H"	84.054008
"1004317"	234.593476	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+2ACN+2H"	84.067652
"1597726"	470.087928	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+K+HCOOH"	84.968628
"1428613"	500.119438	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+H+CF3COOH"	115.000138
"1159143"	255.106751	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+3ACN+2H"	125.094202
"1708693"	517.145985	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+NH4+CF3COOH"	132.026685
"1642158"	522.10138	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+Na+CF3COOH"	136.98208
"1574528"	538.07532	"C18362"	"Tepoxalin"	"C20H20ClN3O3"	"385.1193"	"M+K+CF3COOH"	152.95602
"813643"	336.1031	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M"	0
"982802"	317.08471	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-H2O-H"	-19.01839
"66670"	223.061457333333	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M-3H"	-3.021828
"507323"	335.095824	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M-3H"	-3.021828
"885123"	111.027090666667	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-3H"	-3.021828
"3697"	335.095824	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M-2H"	-2.014552
"443257"	503.147374	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M-2H"	-2.014552
"817401"	167.044274	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-2H"	-2.014552
"78741"	671.198924	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M-H"	-1.007276
"522432"	1007.302024	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M-H"	-1.007276
"896093"	335.095824	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-H"	-1.007276
"51701"	688.225471	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M-2H+NH4"	16.019271
"492359"	1024.328571	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M-2H+NH4"	16.019271
"869795"	352.122371	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-2H+NH4"	16.019271
"36968"	693.180866	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M-2H+Na"	20.974666
"484551"	1029.283966	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M-2H+Na"	20.974666
"861628"	357.077766	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-2H+Na"	20.974666
"1628244"	357.077766	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Na-2H"	20.974666
"104776"	353.084163	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M-H+Cl"	33.962126
"543242"	521.135713	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M-H+Cl"	33.962126
"937852"	185.032613	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-H+Cl"	33.962126
"277504"	707.175602	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+Cl"	34.969402
"669926"	1043.278702	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+Cl"	34.969402
"1283429"	371.072502	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Cl"	34.969402
"27076"	709.154806	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M-2H+K"	36.948606
"469916"	1045.257906	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M-2H+K"	36.948606
"845895"	373.051706	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-2H+K"	36.948606
"1567923"	373.051706	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+K-2H"	36.948606
"953619"	381.101294	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-H+HCOOH"	44.998194
"374751"	717.204401	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+HCOOH-H"	44.998201
"357903"	731.220051	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+Hac-H"	59.013851
"1496894"	395.116951	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Hac-H"	59.013851
"964436"	403.083251	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-H+NaCOOH"	66.980151
"116627"	371.072502	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+2Cl"	69.938804
"555093"	539.124052	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+2Cl"	69.938804
"1028267"	203.020952	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2Cl"	69.938804
"1254409"	415.021985	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Br"	78.918885
"1318319"	417.077972	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Cl+HCOOH"	80.974872
"1334849"	439.059929	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Cl+NaCOOH"	102.956829
"925415"	449.088686	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M-H+CF3COOH"	112.985586
"1302851"	485.065364	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Cl+CF3COOH"	148.962264
"1380281"	301.090424	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H-2H2O"	-35.012676
"1395591"	319.1004	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H-H2O"	-17.0027
"297465"	673.213476	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+H"	1.007276
"689159"	1009.316576	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+H"	1.007276
"1365141"	337.110376	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H"	1.007276
"138030"	337.110376	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+2H"	2.014552
"578684"	505.161926	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+2H"	2.014552
"1051857"	169.058826	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2H"	2.014552
"219395"	225.076009333333	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+3H"	3.021828
"658713"	337.110376	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+3H"	3.021828
"1176717"	113.041642666667	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+3H"	3.021828
"438422"	690.240023	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+NH4"	18.033823
"798810"	1026.343123	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+NH4"	18.033823
"1695871"	354.136923	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+NH4"	18.033823
"344512"	345.6236495	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+H+NH4"	19.041099
"737784"	513.6751995	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+H+NH4"	19.041099
"1488569"	177.5720995	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H+NH4"	19.041099
"406520"	695.195418	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+Na"	22.989218
"767879"	1031.298518	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+Na"	22.989218
"1615249"	359.092318	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Na"	22.989218
"328077"	348.101347	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+H+Na"	23.996494
"718432"	516.152897	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+H+Na"	23.996494
"1471157"	180.049797	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H+Na"	23.996494
"1058937"	120.368956666667	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2H+Na"	25.00377
"1259519"	369.136586	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+CH3OH+H"	33.033486
"379549"	711.169358	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+K"	38.963158
"739455"	1047.272458	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+K"	38.963158
"1540655"	375.066258	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+K"	38.963158
"299413"	356.088317	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+H+K"	39.970434
"701684"	524.139867	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+H+K"	39.970434
"1454410"	188.036767	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H+K"	39.970434
"240094"	714.240026	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+ACN+H"	42.033826
"1212072"	378.136926	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+ACN+H"	42.033826
"1195227"	189.572101	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+ACN+2H"	43.041102
"193931"	717.17736	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+2Na-H"	44.97116
"633128"	1053.28046	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+2Na-H"	44.97116
"1137729"	381.07426	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2Na-H"	44.97116
"175914"	359.092318	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+2Na"	45.978436
"621674"	527.143868	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+2Na"	45.978436
"1120808"	191.040768	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2Na"	45.978436
"1406521"	127.696270666667	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H+2Na"	46.985712
"1436448"	383.115846	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H+HCOOH"	47.012746
"229428"	364.12534	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+3H2O+2H"	56.04448
"1522475"	397.16789	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+IsoProp+H"	61.06479
"420459"	367.079288	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+Na+K"	61.952376
"781092"	535.130838	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+Na+K"	61.952376
"1677422"	199.027738	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Na+K"	61.952376
"263940"	736.221968	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+ACN+Na"	64.015768
"1237378"	400.118868	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+ACN+Na"	64.015768
"1720433"	400.142393	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+NH4+HCOOH"	64.039293
"1184694"	135.023584666667	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+3Na"	68.967654
"1658961"	405.097788	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Na+HCOOH"	68.994688
"160350"	749.12524	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+2K-H"	76.91904
"601008"	1085.22834	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+2K-H"	76.91904
"1084671"	413.02214	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2K-H"	76.91904
"144525"	375.066258	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"2M+2K"	77.926316
"586275"	543.117808	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"3M+2K"	77.926316
"1071881"	207.014708	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2K"	77.926316
"1103995"	415.036692	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2K+H"	78.933592
"1335756"	415.124307	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+DMSO+H"	79.021207
"1008907"	419.163476	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2ACN+H"	83.060376
"1539072"	420.157108	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+IsoProp+Na+H"	84.054008
"1004426"	210.085376	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+2ACN+2H"	84.067652
"1597836"	421.071728	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+K+HCOOH"	84.968628
"1429088"	451.103238	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+H+CF3COOH"	115.000138
"1161439"	230.598651	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+3ACN+2H"	125.094202
"1706616"	468.129785	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+NH4+CF3COOH"	132.026685
"1642268"	473.08518	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+Na+CF3COOH"	136.98208
"1574638"	489.05912	"C18363"	"Firocoxib"	"C17H20O5S"	"336.1031"	"M+K+CF3COOH"	152.95602
"815941"	273.0557	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M"	0
"981818"	254.03731	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-H2O-H"	-19.01839
"71155"	181.029857333333	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M-3H"	-3.021828
"509620"	272.048424	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M-3H"	-3.021828
"886328"	90.0112906666667	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-3H"	-3.021828
"9276"	272.048424	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M-2H"	-2.014552
"445554"	408.576274	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M-2H"	-2.014552
"818255"	135.520574	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-2H"	-2.014552
"79825"	545.104124	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M-H"	-1.007276
"519627"	818.159824	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M-H"	-1.007276
"896087"	272.048424	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-H"	-1.007276
"51811"	562.130671	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M-2H+NH4"	16.019271
"494657"	835.186371	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M-2H+NH4"	16.019271
"871727"	289.074971	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-2H+NH4"	16.019271
"41453"	567.086066	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M-2H+Na"	20.974666
"484295"	840.141766	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M-2H+Na"	20.974666
"862102"	294.030366	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-2H+Na"	20.974666
"1632972"	294.030366	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Na-2H"	20.974666
"107072"	290.036763	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M-H+Cl"	33.962126
"543352"	426.564613	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M-H+Cl"	33.962126
"939420"	153.508913	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-H+Cl"	33.962126
"280287"	581.080802	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+Cl"	34.969402
"674531"	854.136502	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+Cl"	34.969402
"1284632"	308.025102	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Cl"	34.969402
"30101"	583.060006	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M-2H+K"	36.948606
"470881"	856.115706	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M-2H+K"	36.948606
"846005"	310.004306	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-2H+K"	36.948606
"1570226"	310.004306	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+K-2H"	36.948606
"957014"	318.053894	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-H+HCOOH"	44.998194
"373039"	591.109601	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+HCOOH-H"	44.998201
"355828"	605.125251	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+Hac-H"	59.013851
"1501380"	332.069551	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Hac-H"	59.013851
"965640"	340.035851	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-H+NaCOOH"	66.980151
"123664"	308.025102	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+2Cl"	69.938804
"559578"	444.552952	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+2Cl"	69.938804
"1034576"	171.497252	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2Cl"	69.938804
"1254520"	351.974585	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Br"	78.918885
"1318429"	354.030572	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Cl+HCOOH"	80.974872
"1335506"	376.012529	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Cl+NaCOOH"	102.956829
"926959"	386.041286	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M-H+CF3COOH"	112.985586
"1303206"	422.017964	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Cl+CF3COOH"	148.962264
"1381485"	238.043024	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H-2H2O"	-35.012676
"1397894"	256.053	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H-H2O"	-17.0027
"298187"	547.118676	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+H"	1.007276
"690727"	820.174376	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+H"	1.007276
"1365984"	274.062976	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H"	1.007276
"139962"	274.062976	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+2H"	2.014552
"579887"	410.590826	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+2H"	2.014552
"1051724"	137.535126	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2H"	2.014552
"218534"	183.044409333333	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+3H"	3.021828
"658581"	274.062976	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+3H"	3.021828
"1176825"	92.0258426666667	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+3H"	3.021828
"438654"	564.145223	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+NH4"	18.033823
"801149"	837.200923	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+NH4"	18.033823
"1696590"	291.089523	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+NH4"	18.033823
"345664"	282.5762495	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+H+NH4"	19.041099
"737893"	419.1040995	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+H+NH4"	19.041099
"1492322"	146.0483995	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H+NH4"	19.041099
"408210"	569.100618	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+Na"	22.989218
"767621"	842.156318	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+Na"	22.989218
"1616451"	296.044918	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Na"	22.989218
"326853"	285.053947	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+H+Na"	23.996494
"719273"	421.581797	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+H+Na"	23.996494
"1474548"	148.526097	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H+Na"	23.996494
"1056861"	99.3531566666667	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2H+Na"	25.00377
"1259145"	306.089186	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+CH3OH+H"	33.033486
"378448"	585.074558	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+K"	38.963158
"742483"	858.130258	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+K"	38.963158
"1542712"	312.018858	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+K"	38.963158
"301711"	293.040917	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+H+K"	39.970434
"702887"	429.568767	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+H+K"	39.970434
"1455615"	156.513067	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H+K"	39.970434
"242029"	588.145226	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+ACN+H"	42.033826
"1216925"	315.089526	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+ACN+H"	42.033826
"1205182"	158.048401	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+ACN+2H"	43.041102
"199146"	591.08256	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+2Na-H"	44.97116
"634333"	864.13826	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+2Na-H"	44.97116
"1140026"	318.02686	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2Na-H"	44.97116
"186599"	296.044918	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+2Na"	45.978436
"621784"	432.572768	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+2Na"	45.978436
"1126386"	159.517068	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2Na"	45.978436
"1411008"	106.680470666667	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H+2Na"	46.985712
"1442758"	320.068446	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H+HCOOH"	47.012746
"229538"	301.07794	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+3H2O+2H"	56.04448
"1519790"	334.12049	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+IsoProp+H"	61.06479
"420571"	304.031888	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+Na+K"	61.952376
"780475"	440.559738	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+Na+K"	61.952376
"1679599"	167.504038	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Na+K"	61.952376
"265507"	610.127168	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+ACN+Na"	64.015768
"1237124"	337.071468	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+ACN+Na"	64.015768
"1722728"	337.094993	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+NH4+HCOOH"	64.039293
"1188084"	114.007784666667	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+3Na"	68.967654
"1659071"	342.050388	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Na+HCOOH"	68.994688
"161555"	623.03044	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+2K-H"	76.91904
"600024"	896.08614	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+2K-H"	76.91904
"1092194"	349.97474	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2K-H"	76.91904
"152294"	312.018858	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"2M+2K"	77.926316
"592947"	448.546708	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"3M+2K"	77.926316
"1077459"	175.491008	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2K"	77.926316
"1106294"	351.989292	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2K+H"	78.933592
"1341585"	352.076907	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+DMSO+H"	79.021207
"1012302"	356.116076	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2ACN+H"	83.060376
"1539307"	357.109708	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+IsoProp+Na+H"	84.054008
"1004535"	178.561676	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+2ACN+2H"	84.067652
"1601224"	358.024328	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+K+HCOOH"	84.968628
"1427981"	388.055838	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+H+CF3COOH"	115.000138
"1161549"	199.074951	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+3ACN+2H"	125.094202
"1707819"	405.082385	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+NH4+CF3COOH"	132.026685
"1642378"	410.03778	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+Na+CF3COOH"	136.98208
"1574748"	426.01172	"C18364"	"Carprofen"	"C15H12ClNO2"	"273.0557"	"M+K+CF3COOH"	152.95602
"816538"	987.4848	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M"	0
"987395"	968.46641	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-H2O-H"	-19.01839
"74545"	657.315924	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M-3H"	-3.021828
"511917"	986.477524	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M-3H"	-3.021828
"889718"	328.154324	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-3H"	-3.021828
"8292"	986.477524	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M-2H"	-2.014552
"441289"	1480.219924	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M-2H"	-2.014552
"821281"	492.735124	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-2H"	-2.014552
"81637"	1973.962324	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M-H"	-1.007276
"520103"	2961.447124	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M-H"	-1.007276
"895742"	986.477524	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-H"	-1.007276
"50463"	1990.988871	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M-2H+NH4"	16.019271
"501207"	2978.473671	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M-2H+NH4"	16.019271
"875848"	1003.504071	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-2H+NH4"	16.019271
"38280"	1995.944266	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M-2H+Na"	20.974666
"484406"	2983.429066	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M-2H+Na"	20.974666
"864215"	1008.459466	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-2H+Na"	20.974666
"1633446"	1008.459466	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Na-2H"	20.974666
"109534"	1004.465863	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M-H+Cl"	33.962126
"548811"	1498.208263	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M-H+Cl"	33.962126
"939895"	510.723463	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-H+Cl"	33.962126
"281006"	2009.939002	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+Cl"	34.969402
"672697"	2997.423802	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+Cl"	34.969402
"1287294"	1022.454202	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Cl"	34.969402
"30536"	2011.918206	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M-2H+K"	36.948606
"470507"	2999.403006	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M-2H+K"	36.948606
"848264"	1024.433406	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-2H+K"	36.948606
"1570982"	1024.433406	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+K-2H"	36.948606
"954934"	1032.482994	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-H+HCOOH"	44.998194
"376555"	2019.967801	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+HCOOH-H"	44.998201
"361332"	2033.983451	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+Hac-H"	59.013851
"1501490"	1046.498651	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Hac-H"	59.013851
"970124"	1054.464951	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-H+NaCOOH"	66.980151
"124383"	1022.454202	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+2Cl"	69.938804
"564064"	1516.196602	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+2Cl"	69.938804
"1035050"	528.711802	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2Cl"	69.938804
"1253536"	1066.403685	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Br"	78.918885
"1319510"	1068.459672	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Cl+HCOOH"	80.974872
"1333848"	1090.441629	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Cl+NaCOOH"	102.956829
"927016"	1100.470386	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M-H+CF3COOH"	112.985586
"1302341"	1136.447064	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Cl+CF3COOH"	148.962264
"1381595"	952.472124	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H-2H2O"	-35.012676
"1397518"	970.4821	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H-H2O"	-17.0027
"297933"	1975.976876	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+H"	1.007276
"690105"	2963.461676	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+H"	1.007276
"1366770"	988.492076	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H"	1.007276
"139342"	988.492076	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+2H"	2.014552
"580364"	1482.234476	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+2H"	2.014552
"1050982"	494.749676	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2H"	2.014552
"217790"	659.330476	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+3H"	3.021828
"659176"	988.492076	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+3H"	3.021828
"1174383"	330.168876	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+3H"	3.021828
"439496"	1993.003423	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+NH4"	18.033823
"801059"	2980.488223	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+NH4"	18.033823
"1696825"	1005.518623	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+NH4"	18.033823
"345504"	997.0053495	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+H+NH4"	19.041099
"738204"	1490.7477495	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+H+NH4"	19.041099
"1492191"	503.2629495	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H+NH4"	19.041099
"404917"	1997.958818	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+Na"	22.989218
"768825"	2985.443618	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+Na"	22.989218
"1615103"	1010.474018	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Na"	22.989218
"325141"	999.483047	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+H+Na"	23.996494
"719745"	1493.225447	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+H+Na"	23.996494
"1473564"	505.740647	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H+Na"	23.996494
"1056971"	337.49619	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2H+Na"	25.00377
"1260106"	1020.518286	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+CH3OH+H"	33.033486
"379532"	2013.932758	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+K"	38.963158
"743687"	3001.417558	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+K"	38.963158
"1546833"	1026.447958	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+K"	38.963158
"304008"	1007.470017	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+H+K"	39.970434
"702997"	1501.212417	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+H+K"	39.970434
"1455725"	513.727617	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H+K"	39.970434
"242139"	2017.003426	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+ACN+H"	42.033826
"1217035"	1029.518626	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+ACN+H"	42.033826
"1205292"	515.262951	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+ACN+2H"	43.041102
"202536"	2019.94076	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+2Na-H"	44.97116
"634443"	3007.42556	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+2Na-H"	44.97116
"1137949"	1032.45596	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2Na-H"	44.97116
"187681"	1010.474018	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+2Na"	45.978436
"625175"	1504.216418	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+2Na"	45.978436
"1126497"	516.731618	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2Na"	45.978436
"1408928"	344.823504	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H+2Na"	46.985712
"1438858"	1034.497546	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H+HCOOH"	47.012746
"229648"	1015.50704	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+3H2O+2H"	56.04448
"1519900"	1048.54959	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+IsoProp+H"	61.06479
"420681"	1018.460988	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+Na+K"	61.952376
"780584"	1512.203388	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+Na+K"	61.952376
"1680556"	524.718588	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Na+K"	61.952376
"265617"	2038.985368	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+ACN+Na"	64.015768
"1238326"	1051.500568	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+ACN+Na"	64.015768
"1721745"	1051.524093	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+NH4+HCOOH"	64.039293
"1188194"	352.150818	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+3Na"	68.967654
"1659181"	1056.479488	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Na+HCOOH"	68.994688
"163852"	2051.88864	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+2K-H"	76.91904
"601228"	3039.37344	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+2K-H"	76.91904
"1092304"	1064.40384	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2K-H"	76.91904
"155684"	1026.447958	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"2M+2K"	77.926316
"596668"	1520.190358	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"3M+2K"	77.926316
"1081943"	532.705558	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2K"	77.926316
"1108591"	1066.418392	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2K+H"	78.933592
"1344975"	1066.506007	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+DMSO+H"	79.021207
"1015692"	1070.545176	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2ACN+H"	83.060376
"1539296"	1071.538808	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+IsoProp+Na+H"	84.054008
"1005341"	535.776226	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+2ACN+2H"	84.067652
"1600242"	1072.453428	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+K+HCOOH"	84.968628
"1429190"	1102.484938	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+H+CF3COOH"	115.000138
"1162704"	556.289501	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+3ACN+2H"	125.094202
"1712183"	1119.511485	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+NH4+CF3COOH"	132.026685
"1648686"	1124.46688	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+Na+CF3COOH"	136.98208
"1578138"	1140.44082	"C18365"	"Carbetocin"	"C45H69N11O12S"	"987.4848"	"M+K+CF3COOH"	152.95602
"812880"	197.879	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M"	0
"980945"	178.86061	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-H2O-H"	-19.01839
"66999"	130.912057333333	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M-3H"	-3.021828
"509840"	196.871724	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M-3H"	-3.021828
"883266"	64.9523906666667	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-3H"	-3.021828
"2934"	196.871724	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M-2H"	-2.014552
"440346"	295.811224	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M-2H"	-2.014552
"819204"	97.932224	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-2H"	-2.014552
"81384"	394.750724	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M-H"	-1.007276
"519121"	592.629724	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M-H"	-1.007276
"895654"	196.871724	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-H"	-1.007276
"47447"	411.777271	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M-2H+NH4"	16.019271
"493782"	609.656271	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M-2H+NH4"	16.019271
"870489"	213.898271	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-2H+NH4"	16.019271
"31783"	416.732666	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M-2H+Na"	20.974666
"481236"	614.611666	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M-2H+Na"	20.974666
"862323"	218.853666	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-2H+Na"	20.974666
"1633316"	218.853666	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Na-2H"	20.974666
"109736"	214.860063	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M-H+Cl"	33.962126
"548798"	313.799563	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M-H+Cl"	33.962126
"942195"	115.920563	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-H+Cl"	33.962126
"282210"	430.727402	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+Cl"	34.969402
"675117"	628.606402	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+Cl"	34.969402
"1285223"	232.848402	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Cl"	34.969402
"30322"	432.706606	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M-2H+K"	36.948606
"471340"	630.585606	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M-2H+K"	36.948606
"848095"	234.827606	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-2H+K"	36.948606
"1570893"	234.827606	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+K-2H"	36.948606
"955045"	242.877194	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-H+HCOOH"	44.998194
"376543"	440.756201	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+HCOOH-H"	44.998201
"360789"	454.771851	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+Hac-H"	59.013851
"1503787"	256.892851	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Hac-H"	59.013851
"969506"	264.859151	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-H+NaCOOH"	66.980151
"125569"	232.848402	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+2Cl"	69.938804
"564661"	331.787902	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+2Cl"	69.938804
"1035160"	133.908902	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2Cl"	69.938804
"1254739"	276.797885	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Br"	78.918885
"1316093"	278.853872	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Cl+HCOOH"	80.974872
"1333591"	300.835829	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Cl+NaCOOH"	102.956829
"924285"	310.864586	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M-H+CF3COOH"	112.985586
"1302816"	346.841264	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Cl+CF3COOH"	148.962264
"1380612"	162.866324	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H-2H2O"	-35.012676
"1397381"	180.8763	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H-H2O"	-17.0027
"297797"	396.765276	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+H"	1.007276
"690944"	594.644276	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+H"	1.007276
"1365107"	198.886276	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H"	1.007276
"138359"	198.886276	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+2H"	2.014552
"580838"	297.825776	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+2H"	2.014552
"1046720"	99.946776	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2H"	2.014552
"213526"	132.926609333333	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+3H"	3.021828
"654181"	198.886276	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+3H"	3.021828
"1172306"	66.9669426666667	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+3H"	3.021828
"439118"	413.791823	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+NH4"	18.033823
"800233"	611.670823	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+NH4"	18.033823
"1695468"	215.912823	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+NH4"	18.033823
"344109"	207.3995495	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+H+NH4"	19.041099
"737505"	306.3390495	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+H+NH4"	19.041099
"1491447"	108.4600495	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H+NH4"	19.041099
"406846"	418.747218	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+Na"	22.989218
"764561"	616.626218	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+Na"	22.989218
"1614118"	220.868218	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Na"	22.989218
"325248"	209.877247	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+H+Na"	23.996494
"716576"	308.816747	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+H+Na"	23.996494
"1471487"	110.937747	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H+Na"	23.996494
"1058175"	74.2942566666667	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2H+Na"	25.00377
"1257254"	230.912486	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+CH3OH+H"	33.033486
"377166"	434.721158	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+K"	38.963158
"742704"	632.600158	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+K"	38.963158
"1544756"	236.842158	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+K"	38.963158
"303026"	217.864217	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+H+K"	39.970434
"702013"	316.803717	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+H+K"	39.970434
"1455834"	118.924717	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H+K"	39.970434
"243342"	437.791826	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+ACN+H"	42.033826
"1215322"	239.912826	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+ACN+H"	42.033826
"1202122"	120.460051	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+ACN+2H"	43.041102
"197179"	440.72916	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+2Na-H"	44.97116
"634553"	638.60816	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+2Na-H"	44.97116
"1138059"	242.85016	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2Na-H"	44.97116
"187791"	220.868218	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+2Na"	45.978436
"623099"	319.807718	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+2Na"	45.978436
"1126608"	121.928718	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2Na"	45.978436
"1410131"	81.6215706666667	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H+2Na"	46.985712
"1435688"	244.891746	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H+HCOOH"	47.012746
"226478"	225.90124	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+3H2O+2H"	56.04448
"1518917"	258.94379	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+IsoProp+H"	61.06479
"421519"	228.855188	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+Na+K"	61.952376
"781787"	327.794688	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+Na+K"	61.952376
"1679938"	129.915688	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Na+K"	61.952376
"264634"	459.773768	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+ACN+Na"	64.015768
"1237344"	261.894768	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+ACN+Na"	64.015768
"1725138"	261.918293	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+NH4+HCOOH"	64.039293
"1188304"	88.9488846666667	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+3Na"	68.967654
"1660384"	266.873688	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Na+HCOOH"	68.994688
"165055"	472.67704	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+2K-H"	76.91904
"602431"	670.55604	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+2K-H"	76.91904
"1091321"	274.79804	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2K-H"	76.91904
"156645"	236.842158	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"2M+2K"	77.926316
"597064"	335.781658	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"3M+2K"	77.926316
"1082053"	137.902658	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2K"	77.926316
"1107608"	276.812592	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2K+H"	78.933592
"1345085"	276.900207	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+DMSO+H"	79.021207
"1015802"	280.939376	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2ACN+H"	83.060376
"1539487"	281.933008	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+IsoProp+Na+H"	84.054008
"1005610"	140.973326	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+2ACN+2H"	84.067652
"1600352"	282.847628	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+K+HCOOH"	84.968628
"1429695"	312.879138	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+H+CF3COOH"	115.000138
"1160676"	161.486601	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+3ACN+2H"	125.094202
"1711321"	329.905685	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+NH4+CF3COOH"	132.026685
"1648796"	334.86108	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+Na+CF3COOH"	136.98208
"1578248"	350.83502	"C18366"	"Sodium iodate"	"NaIO3"	"197.879"	"M+K+CF3COOH"	152.95602
"815906"	364.1706	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M"	0
"983242"	345.15221	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-H2O-H"	-19.01839
"64922"	241.773124	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M-3H"	-3.021828
"507763"	363.163324	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M-3H"	-3.021828
"884469"	120.382924	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-3H"	-3.021828
"3408"	363.163324	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M-2H"	-2.014552
"441874"	545.248624	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M-2H"	-2.014552
"820040"	181.078024	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-2H"	-2.014552
"81858"	727.333924	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M-H"	-1.007276
"520687"	1091.504524	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M-H"	-1.007276
"896050"	363.163324	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-H"	-1.007276
"50314"	744.360471	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M-2H+NH4"	16.019271
"493892"	1108.531071	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M-2H+NH4"	16.019271
"869506"	380.189871	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-2H+NH4"	16.019271
"33759"	749.315866	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M-2H+Na"	20.974666
"472347"	1113.486466	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M-2H+Na"	20.974666
"860971"	385.145266	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-2H+Na"	20.974666
"1625402"	385.145266	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Na-2H"	20.974666
"108862"	381.151663	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M-H+Cl"	33.962126
"544775"	563.236963	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M-H+Cl"	33.962126
"941938"	199.066363	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-H+Cl"	33.962126
"281954"	763.310602	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+Cl"	34.969402
"674496"	1127.481202	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+Cl"	34.969402
"1287515"	399.140002	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Cl"	34.969402
"30432"	765.289806	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M-2H+K"	36.948606
"469627"	1129.460406	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M-2H+K"	36.948606
"848325"	401.119206	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-2H+K"	36.948606
"1568002"	401.119206	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+K-2H"	36.948606
"957953"	409.168794	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-H+HCOOH"	44.998194
"376410"	773.339401	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+HCOOH-H"	44.998201
"360658"	787.355051	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+Hac-H"	59.013851
"1500616"	423.184451	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Hac-H"	59.013851
"968156"	431.150751	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-H+NaCOOH"	66.980151
"119254"	399.140002	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+2Cl"	69.938804
"556627"	581.225302	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+2Cl"	69.938804
"1030895"	217.054702	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2Cl"	69.938804
"1249381"	443.089485	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Br"	78.918885
"1318760"	445.145472	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Cl+HCOOH"	80.974872
"1333702"	467.127429	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Cl+NaCOOH"	102.956829
"923666"	477.156186	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M-H+CF3COOH"	112.985586
"1302199"	513.132864	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Cl+CF3COOH"	148.962264
"1380722"	329.157924	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H-2H2O"	-35.012676
"1396886"	347.1679	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H-H2O"	-17.0027
"297424"	729.348476	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+H"	1.007276
"690326"	1093.519076	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+H"	1.007276
"1365825"	365.177876	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H"	1.007276
"137375"	365.177876	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+2H"	2.014552
"574750"	547.263176	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+2H"	2.014552
"1046829"	183.092576	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2H"	2.014552
"211450"	243.787676	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+3H"	3.021828
"652103"	365.177876	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+3H"	3.021828
"1171323"	122.397476	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+3H"	3.021828
"438619"	746.375023	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+NH4"	18.033823
"800218"	1110.545623	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+NH4"	18.033823
"1694483"	382.204423	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+NH4"	18.033823
"343488"	373.6911495	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+H+NH4"	19.041099
"733722"	555.7764495	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+H+NH4"	19.041099
"1489366"	191.6058495	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H+NH4"	19.041099
"405861"	751.330418	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+Na"	22.989218
"767585"	1115.501018	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+Na"	22.989218
"1614223"	387.159818	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Na"	22.989218
"326447"	376.168847	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+H+Na"	23.996494
"719599"	558.254147	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+H+Na"	23.996494
"1461878"	194.083547	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H+Na"	23.996494
"1053909"	129.72479	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2H+Na"	25.00377
"1257894"	397.204086	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+CH3OH+H"	33.033486
"378900"	767.304358	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+K"	38.963158
"740259"	1131.474958	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+K"	38.963158
"1542676"	403.133758	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+K"	38.963158
"299853"	384.155817	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+H+K"	39.970434
"698843"	566.241117	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+H+K"	39.970434
"1447921"	202.070517	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H+K"	39.970434
"240900"	770.375026	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+ACN+H"	42.033826
"1213243"	406.204426	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+ACN+H"	42.033826
"1195666"	203.605851	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+ACN+2H"	43.041102
"190116"	773.31236	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+2Na-H"	44.97116
"631017"	1137.48296	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+2Na-H"	44.97116
"1135253"	409.14176	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2Na-H"	44.97116
"180367"	387.159818	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+2Na"	45.978436
"621020"	569.245118	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+2Na"	45.978436
"1119060"	205.074518	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2Na"	45.978436
"1401855"	137.052104	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H+2Na"	46.985712
"1435795"	411.183346	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H+HCOOH"	47.012746
"223307"	392.19284	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+3H2O+2H"	56.04448
"1513558"	425.23539	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+IsoProp+H"	61.06479
"416527"	395.146788	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+Na+K"	61.952376
"778616"	577.232088	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+Na+K"	61.952376
"1676037"	213.061488	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Na+K"	61.952376
"261463"	792.356968	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+ACN+Na"	64.015768
"1233078"	428.186368	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+ACN+Na"	64.015768
"1716498"	428.209893	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+NH4+HCOOH"	64.039293
"1185132"	144.379418	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+3Na"	68.967654
"1657212"	433.165288	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Na+HCOOH"	68.994688
"159088"	805.26024	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+2K-H"	76.91904
"600353"	1169.43084	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+2K-H"	76.91904
"1087055"	441.08964	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2K-H"	76.91904
"143872"	403.133758	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"2M+2K"	77.926316
"588902"	585.219058	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"3M+2K"	77.926316
"1074507"	221.048458	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2K"	77.926316
"1105529"	443.104192	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2K+H"	78.933592
"1335954"	443.191807	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+DMSO+H"	79.021207
"1007767"	447.230976	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2ACN+H"	83.060376
"1539633"	448.224608	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+IsoProp+Na+H"	84.054008
"1005235"	224.119126	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+2ACN+2H"	84.067652
"1600461"	449.139228	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+K+HCOOH"	84.968628
"1429288"	479.170738	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+H+CF3COOH"	115.000138
"1160786"	244.632401	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+3ACN+2H"	125.094202
"1710338"	496.197285	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+NH4+CF3COOH"	132.026685
"1649758"	501.15268	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+Na+CF3COOH"	136.98208
"1576171"	517.12662	"C18367"	"Malachite green"	"C23H25N2Cl"	"364.1706"	"M+K+CF3COOH"	152.95602
"815531"	66.9587	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M"	0
"983351"	47.94031	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-H2O-H"	-19.01839
"63939"	43.6318573333333	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M-3H"	-3.021828
"507871"	65.951424	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M-3H"	-3.021828
"885672"	21.3122906666667	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-3H"	-3.021828
"2788"	65.951424	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M-2H"	-2.014552
"440523"	99.430774	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M-2H"	-2.014552
"819058"	32.472074	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-2H"	-2.014552
"83790"	132.910124	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M-H"	-1.007276
"522257"	199.868824	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M-H"	-1.007276
"898233"	65.951424	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-H"	-1.007276
"49573"	149.936671	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M-2H+NH4"	16.019271
"494002"	216.895371	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M-2H+NH4"	16.019271
"871804"	82.977971	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-2H+NH4"	16.019271
"34967"	154.892066	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M-2H+Na"	20.974666
"475620"	221.850766	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M-2H+Na"	20.974666
"860351"	87.933366	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-2H+Na"	20.974666
"1626604"	87.933366	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Na-2H"	20.974666
"109093"	83.939763	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M-H+Cl"	33.962126
"548166"	117.419113	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M-H+Cl"	33.962126
"942047"	50.460413	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-H+Cl"	33.962126
"280243"	168.886802	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+Cl"	34.969402
"673635"	235.845502	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+Cl"	34.969402
"1285804"	101.928102	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Cl"	34.969402
"30543"	170.866006	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M-2H+K"	36.948606
"469008"	237.824706	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M-2H+K"	36.948606
"847541"	103.907306	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-2H+K"	36.948606
"1570789"	103.907306	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+K-2H"	36.948606
"957087"	111.956894	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-H+HCOOH"	44.998194
"375668"	178.915601	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+HCOOH-H"	44.998201
"360644"	192.931251	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+Hac-H"	59.013851
"1504006"	125.972551	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Hac-H"	59.013851
"970454"	133.938851	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-H+NaCOOH"	66.980151
"112804"	101.928102	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+2Cl"	69.938804
"552362"	135.407452	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+2Cl"	69.938804
"1031005"	68.448752	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2Cl"	69.938804
"1249491"	145.877585	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Br"	78.918885
"1318507"	147.933572	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Cl+HCOOH"	80.974872
"1334910"	169.915529	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Cl+NaCOOH"	102.956829
"924143"	179.944286	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M-H+CF3COOH"	112.985586
"1303812"	215.920964	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Cl+CF3COOH"	148.962264
"1381568"	31.946024	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H-2H2O"	-35.012676
"1397117"	49.956	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H-H2O"	-17.0027
"297902"	134.924676	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+H"	1.007276
"690930"	201.883376	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+H"	1.007276
"1366063"	67.965976	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H"	1.007276
"137485"	67.965976	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+2H"	2.014552
"574860"	101.445326	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+2H"	2.014552
"1048763"	34.486626	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2H"	2.014552
"214841"	45.6464093333333	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+3H"	3.021828
"654766"	67.965976	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+3H"	3.021828
"1174352"	23.3268426666667	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+3H"	3.021828
"439092"	151.951223	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+NH4"	18.033823
"800083"	218.909923	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+NH4"	18.033823
"1694228"	84.992523	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+NH4"	18.033823
"343599"	76.4792495	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+H+NH4"	19.041099
"736021"	109.9585995	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+H+NH4"	19.041099
"1488747"	42.9998995	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H+NH4"	19.041099
"401962"	156.906618	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+Na"	22.989218
"764049"	223.865318	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+Na"	22.989218
"1607775"	89.947918	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Na"	22.989218
"323282"	78.956947	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+H+Na"	23.996494
"716431"	112.436297	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+H+Na"	23.996494
"1461345"	45.477597	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H+Na"	23.996494
"1053407"	30.6541566666667	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2H+Na"	25.00377
"1257639"	99.992186	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+CH3OH+H"	33.033486
"377911"	172.880558	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+K"	38.963158
"741830"	239.839258	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+K"	38.963158
"1544245"	105.921858	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+K"	38.963158
"302151"	86.943917	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+H+K"	39.970434
"695305"	120.423267	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+H+K"	39.970434
"1446936"	53.464567	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H+K"	39.970434
"237727"	175.951226	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+ACN+H"	42.033826
"1211530"	108.992526	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+ACN+H"	42.033826
"1196870"	54.999901	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+ACN+2H"	43.041102
"189619"	178.88856	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+2Na-H"	44.97116
"630033"	245.84726	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+2Na-H"	44.97116
"1134998"	111.92986	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2Na-H"	44.97116
"180477"	89.947918	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+2Na"	45.978436
"621131"	123.427268	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+2Na"	45.978436
"1119898"	56.468568	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2Na"	45.978436
"1404152"	37.9814706666667	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H+2Na"	46.985712
"1431535"	113.971446	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H+HCOOH"	47.012746
"225608"	94.98094	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+3H2O+2H"	56.04448
"1520233"	128.02349	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+IsoProp+H"	61.06479
"415545"	97.934888	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+Na+K"	61.952376
"775445"	131.414238	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+Na+K"	61.952376
"1667396"	64.455538	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Na+K"	61.952376
"256106"	197.933168	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+ACN+Na"	64.015768
"1229177"	130.974468	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+ACN+Na"	64.015768
"1715147"	130.997993	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+NH4+HCOOH"	64.039293
"1184150"	45.3087846666667	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+3Na"	68.967654
"1651856"	135.953388	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Na+HCOOH"	68.994688
"158349"	210.83644	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+2K-H"	76.91904
"597332"	277.79514	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+2K-H"	76.91904
"1087165"	143.87774	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2K-H"	76.91904
"150547"	105.921858	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"2M+2K"	77.926316
"587919"	139.401208	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"3M+2K"	77.926316
"1071337"	72.442508	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2K"	77.926316
"1102357"	145.892292	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2K+H"	78.933592
"1338742"	145.979907	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+DMSO+H"	79.021207
"1007515"	150.019076	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2ACN+H"	83.060376
"1539016"	151.012708	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+IsoProp+Na+H"	84.054008
"1004854"	75.513176	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+2ACN+2H"	84.067652
"1598386"	151.927328	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+K+HCOOH"	84.968628
"1429521"	181.958838	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+H+CF3COOH"	115.000138
"1157616"	96.026451	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+3ACN+2H"	125.094202
"1710448"	198.985385	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+NH4+CF3COOH"	132.026685
"1646097"	203.94078	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+Na+CF3COOH"	136.98208
"1574095"	219.91472	"C18368"	"Chlorine dioxide;Chlorine peroxide"	"ClO2"	"66.9587"	"M+K+CF3COOH"	152.95602
"813210"	152.1201	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M"	0
"984554"	133.10171	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"68421"	100.406124	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"509074"	151.112824	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"886875"	49.699424	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"4356"	151.112824	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"441364"	227.172874	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"817464"	75.052774	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"79402"	303.232924	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"521273"	455.353024	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"895904"	151.112824	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"49199"	320.259471	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"495205"	472.379571	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"873007"	168.139371	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"35441"	325.214866	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"475730"	477.334966	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"862283"	173.094766	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1626714"	173.094766	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"105435"	169.101163	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"544996"	245.161213	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"938511"	93.041113	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"275977"	339.209602	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"671680"	491.329702	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1285183"	187.089502	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"25549"	341.188806	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"468388"	493.308906	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"844003"	189.068706	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1569680"	189.068706	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"952093"	197.118294	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"374682"	349.238401	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"353098"	363.254051	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1495003"	211.133951	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"964003"	219.100251	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"122755"	187.089502	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"556847"	263.149552	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1031115"	111.029452	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1251789"	231.038985	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1317889"	233.094972	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1334292"	255.076929	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"924616"	265.105686	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1302058"	301.082364	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1381553"	117.107424	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1397347"	135.1174	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"296918"	305.247476	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"690186"	457.367576	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1366053"	153.127376	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H"	1.007276
"139784"	153.127376	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"574967"	229.187426	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1045955"	77.067326	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"214950"	102.420676	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"653416"	153.127376	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1169356"	51.713976	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"439812"	322.274023	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"800193"	474.394123	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1695431"	170.153923	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"342614"	161.6406495	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"736131"	237.7006995	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1487763"	85.5805995	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"404258"	327.229418	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"764159"	479.349518	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1607885"	175.109318	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"323391"	164.118347	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"717998"	240.178397	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1463433"	88.058297	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1055950"	59.04129	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1259451"	185.153586	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"380213"	343.203358	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"745220"	495.323458	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1546177"	191.083258	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+K"	38.963158
"305541"	172.105317	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"696144"	248.165367	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1447168"	96.045267	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"238566"	346.274026	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1212733"	194.153926	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1197710"	97.580601	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"190216"	349.21136	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"633058"	501.33146	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1136930"	197.09126	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"180586"	175.109318	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"620511"	251.169368	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1119280"	99.049268	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1403898"	66.368604	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1434925"	199.132846	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"225718"	180.14234	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1519250"	213.18489	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"413468"	183.096288	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"775188"	259.156338	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1666413"	107.036238	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"256944"	368.255968	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1228556"	216.135868	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1715256"	216.159393	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1180612"	73.695918	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1654152"	221.114788	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"159189"	381.15924	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"598256"	533.27934	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1087275"	229.03914	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"149564"	191.083258	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"585842"	267.143308	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1073632"	115.023208	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1102467"	231.053692	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1336170"	231.141307	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1009569"	235.180476	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1538761"	236.174108	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1004601"	118.093876	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1599589"	237.088728	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1429588"	267.120238	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1159912"	138.607151	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1711651"	284.146785	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1646207"	289.10218	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1574205"	305.07612	"C18369"	"dl-Camphor;Camphor"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"807852"	347.3319	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M"	0
"975917"	328.31351	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-H2O-H"	-19.01839
"63197"	230.547324	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M-3H"	-3.021828
"510277"	346.324624	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M-3H"	-3.021828
"882611"	114.770024	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-3H"	-3.021828
"4467"	346.324624	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M-2H"	-2.014552
"440039"	519.990574	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M-2H"	-2.014552
"817183"	172.658674	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-2H"	-2.014552
"79268"	693.656524	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M-H"	-1.007276
"520286"	1040.988424	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M-H"	-1.007276
"901379"	346.324624	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-H"	-1.007276
"54662"	710.683071	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M-2H+NH4"	16.019271
"492035"	1058.014971	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M-2H+NH4"	16.019271
"870931"	363.351171	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-2H+NH4"	16.019271
"37739"	715.638466	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M-2H+Na"	20.974666
"486780"	1062.970366	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M-2H+Na"	20.974666
"856196"	368.306566	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-2H+Na"	20.974666
"1630111"	368.306566	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Na-2H"	20.974666
"107732"	364.312963	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M-H+Cl"	33.962126
"546203"	537.978913	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M-H+Cl"	33.962126
"937532"	190.647013	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-H+Cl"	33.962126
"278276"	729.633202	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+Cl"	34.969402
"673622"	1076.965102	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+Cl"	34.969402
"1284931"	382.301302	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Cl"	34.969402
"28575"	731.612406	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M-2H+K"	36.948606
"469230"	1078.944306	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M-2H+K"	36.948606
"847034"	384.280506	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-2H+K"	36.948606
"1567602"	384.280506	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+K-2H"	36.948606
"954391"	392.330094	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-H+HCOOH"	44.998194
"372605"	739.662001	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+HCOOH-H"	44.998201
"354303"	753.677651	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+Hac-H"	59.013851
"1497667"	406.345751	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Hac-H"	59.013851
"973230"	414.312051	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-H+NaCOOH"	66.980151
"123961"	382.301302	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+2Cl"	69.938804
"561334"	555.967252	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+2Cl"	69.938804
"1034878"	208.635352	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2Cl"	69.938804
"1254091"	426.250785	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Br"	78.918885
"1317634"	428.306772	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Cl+HCOOH"	80.974872
"1334038"	450.288729	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Cl+NaCOOH"	102.956829
"923274"	460.317486	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M-H+CF3COOH"	112.985586
"1300710"	496.294164	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Cl+CF3COOH"	148.962264
"1380694"	312.319224	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H-2H2O"	-35.012676
"1391987"	330.3292	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H-H2O"	-17.0027
"294589"	695.671076	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+H"	1.007276
"689200"	1043.002976	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+H"	1.007276
"1363722"	348.339176	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H"	1.007276
"137706"	348.339176	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+2H"	2.014552
"572891"	522.005126	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+2H"	2.014552
"1047158"	174.673226	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2H"	2.014552
"211780"	232.561876	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+3H"	3.021828
"649517"	348.339176	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+3H"	3.021828
"1178102"	116.784576	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+3H"	3.021828
"439551"	712.697623	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+NH4"	18.033823
"800668"	1060.029523	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+NH4"	18.033823
"1696634"	365.365723	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+NH4"	18.033823
"342724"	356.8524495	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+H+NH4"	19.041099
"732958"	530.5183995	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+H+NH4"	19.041099
"1487509"	183.1864995	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H+NH4"	19.041099
"401086"	717.653018	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+Na"	22.989218
"760988"	1064.984918	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+Na"	22.989218
"1613463"	370.321118	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Na"	22.989218
"324592"	359.330147	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+H+Na"	23.996494
"709724"	532.996097	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+H+Na"	23.996494
"1463303"	185.664197	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H+Na"	23.996494
"1056061"	124.11189	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2H+Na"	25.00377
"1261388"	380.365386	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+CH3OH+H"	33.033486
"384333"	733.626958	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+K"	38.963158
"740952"	1080.958858	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+K"	38.963158
"1541912"	386.295058	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+K"	38.963158
"304564"	367.317117	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+H+K"	39.970434
"692607"	540.983067	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+H+K"	39.970434
"1452264"	193.651167	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H+K"	39.970434
"239406"	736.697626	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+ACN+H"	42.033826
"1212844"	389.365726	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+ACN+H"	42.033826
"1198550"	195.186501	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+ACN+2H"	43.041102
"193975"	739.63496	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+2Na-H"	44.97116
"633535"	1086.96686	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+2Na-H"	44.97116
"1135946"	392.30306	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2Na-H"	44.97116
"178874"	370.321118	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+2Na"	45.978436
"616614"	543.987068	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+2Na"	45.978436
"1124859"	196.655168	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2Na"	45.978436
"1402918"	131.439204	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H+2Na"	46.985712
"1435037"	394.344646	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H+HCOOH"	47.012746
"228016"	375.35414	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+3H2O+2H"	56.04448
"1519357"	408.39669	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+IsoProp+H"	61.06479
"417950"	378.308088	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+Na+K"	61.952376
"773841"	551.974038	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+Na+K"	61.952376
"1666524"	204.642138	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Na+K"	61.952376
"254501"	758.679568	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+ACN+Na"	64.015768
"1226597"	411.347668	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+ACN+Na"	64.015768
"1714268"	411.371193	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+NH4+HCOOH"	64.039293
"1180351"	138.766518	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+3Na"	68.967654
"1650979"	416.326588	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Na+HCOOH"	68.994688
"161123"	771.58284	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+2K-H"	76.91904
"601782"	1118.91474	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+2K-H"	76.91904
"1089576"	424.25094	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2K-H"	76.91904
"150767"	386.295058	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"2M+2K"	77.926316
"585950"	559.961008	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"3M+2K"	77.926316
"1073742"	212.629108	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2K"	77.926316
"1101726"	426.265492	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2K+H"	78.933592
"1338962"	426.353107	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+DMSO+H"	79.021207
"1021122"	430.392276	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2ACN+H"	83.060376
"1539611"	431.385908	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+IsoProp+Na+H"	84.054008
"1004105"	215.699776	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+2ACN+2H"	84.067652
"1602381"	432.300528	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+K+HCOOH"	84.968628
"1429617"	462.332038	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+H+CF3COOH"	115.000138
"1160022"	236.213051	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+3ACN+2H"	125.094202
"1708479"	479.358585	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+NH4+CF3COOH"	132.026685
"1646320"	484.31398	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+Na+CF3COOH"	136.98208
"1580877"	500.28792	"C18371"	"Stearyltrimethylammonium chloride;1-Octadecanaminium NNN-trimethyl- chloride"	"C21H46NCl"	"347.3319"	"M+K+CF3COOH"	152.95602
"807962"	624.2455	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M"	0
"974934"	605.22711	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-H2O-H"	-19.01839
"64266"	415.156390666667	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M-3H"	-3.021828
"508200"	623.238224	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M-3H"	-3.021828
"884908"	207.074557333333	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-3H"	-3.021828
"2389"	623.238224	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M-2H"	-2.014552
"440241"	935.360974	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M-2H"	-2.014552
"817231"	311.115474	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-2H"	-2.014552
"78715"	1247.483724	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M-H"	-1.007276
"520031"	1871.729224	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M-H"	-1.007276
"898572"	623.238224	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-H"	-1.007276
"53679"	1264.510271	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M-2H+NH4"	16.019271
"492145"	1888.755771	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M-2H+NH4"	16.019271
"873228"	640.264771	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-2H+NH4"	16.019271
"41129"	1269.465666	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M-2H+Na"	20.974666
"482881"	1893.711166	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M-2H+Na"	20.974666
"856306"	645.220166	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-2H+Na"	20.974666
"1633623"	645.220166	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Na-2H"	20.974666
"105656"	641.226563	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M-H+Cl"	33.962126
"544127"	953.349313	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M-H+Cl"	33.962126
"933270"	329.103813	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-H+Cl"	33.962126
"275107"	1283.460402	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+Cl"	34.969402
"675148"	1907.705902	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+Cl"	34.969402
"1287226"	659.214902	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Cl"	34.969402
"28685"	1285.439606	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M-2H+K"	36.948606
"465329"	1909.685106	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M-2H+K"	36.948606
"845318"	661.194106	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-2H+K"	36.948606
"1566619"	661.194106	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+K-2H"	36.948606
"954501"	669.243694	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-H+HCOOH"	44.998194
"372715"	1293.489201	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+HCOOH-H"	44.998201
"354413"	1307.504851	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+Hac-H"	59.013851
"1494497"	683.259351	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Hac-H"	59.013851
"973747"	691.225651	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-H+NaCOOH"	66.980151
"124436"	659.214902	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+2Cl"	69.938804
"562537"	971.337652	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+2Cl"	69.938804
"1034260"	347.092152	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2Cl"	69.938804
"1254202"	703.164385	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Br"	78.918885
"1317744"	705.220372	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Cl+HCOOH"	80.974872
"1333418"	727.202329	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Cl+NaCOOH"	102.956829
"924839"	737.231086	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M-H+CF3COOH"	112.985586
"1301546"	773.207764	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Cl+CF3COOH"	148.962264
"1380800"	589.232824	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H-2H2O"	-35.012676
"1388817"	607.2428	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H-H2O"	-17.0027
"291782"	1249.498276	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+H"	1.007276
"689310"	1873.743776	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+H"	1.007276
"1362738"	625.252776	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H"	1.007276
"137452"	625.252776	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+2H"	2.014552
"573001"	937.375526	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+2H"	2.014552
"1049092"	313.130026	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2H"	2.014552
"208244"	417.170942666667	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+3H"	3.021828
"649263"	625.252776	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+3H"	3.021828
"1176874"	209.089109333333	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+3H"	3.021828
"437593"	1266.524823	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+NH4"	18.033823
"801021"	1890.770323	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+NH4"	18.033823
"1693826"	642.279323	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+NH4"	18.033823
"338460"	633.7660495	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+H+NH4"	19.041099
"731974"	945.8887995	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+H+NH4"	19.041099
"1482516"	321.6432995	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H+NH4"	19.041099
"402289"	1271.480218	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+Na"	22.989218
"761097"	1895.725718	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+Na"	22.989218
"1612477"	647.234718	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Na"	22.989218
"323609"	636.243747	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+H+Na"	23.996494
"707644"	948.366497	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+H+Na"	23.996494
"1463655"	324.120997	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H+Na"	23.996494
"1055441"	216.416423333333	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2H+Na"	25.00377
"1261496"	657.278986	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+CH3OH+H"	33.033486
"382256"	1287.454158	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+K"	38.963158
"747625"	1911.699658	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+K"	38.963158
"1544210"	663.208658	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+K"	38.963158
"299199"	644.230717	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+H+K"	39.970434
"691984"	956.353467	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+H+K"	39.970434
"1450187"	332.107967	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H+K"	39.970434
"237693"	1290.524826	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+ACN+H"	42.033826
"1213683"	666.279326	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+ACN+H"	42.033826
"1196472"	333.643301	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+ACN+2H"	43.041102
"192627"	1293.46216	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+2Na-H"	44.97116
"633281"	1917.70766	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+2Na-H"	44.97116
"1133504"	669.21666	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2Na-H"	44.97116
"177527"	647.234718	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+2Na"	45.978436
"614050"	959.357468	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+2Na"	45.978436
"1118162"	335.111968	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2Na"	45.978436
"1401935"	223.743737333333	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H+2Na"	46.985712
"1434051"	671.258246	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H+HCOOH"	47.012746
"224842"	652.26774	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+3H2O+2H"	56.04448
"1511446"	685.31029	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+IsoProp+H"	61.06479
"412227"	655.221688	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+Na+K"	61.952376
"771520"	967.344438	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+Na+K"	61.952376
"1666630"	343.098938	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Na+K"	61.952376
"253878"	1312.506768	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+ACN+Na"	64.015768
"1226220"	688.261268	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+ACN+Na"	64.015768
"1713406"	688.284793	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+NH4+HCOOH"	64.039293
"1180828"	231.071051333333	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+3Na"	68.967654
"1651818"	693.240188	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Na+HCOOH"	68.994688
"157948"	1325.41004	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+2K-H"	76.91904
"602984"	1949.65554	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+2K-H"	76.91904
"1090779"	701.16454	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2K-H"	76.91904
"148690"	663.208658	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"2M+2K"	77.926316
"587153"	975.331408	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"3M+2K"	77.926316
"1073852"	351.085908	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2K"	77.926316
"1101594"	703.179092	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2K+H"	78.933592
"1341259"	703.266707	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+DMSO+H"	79.021207
"1020988"	707.305876	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2ACN+H"	83.060376
"1539814"	708.299508	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+IsoProp+Na+H"	84.054008
"1004215"	354.156576	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+2ACN+2H"	84.067652
"1602246"	709.214128	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+K+HCOOH"	84.968628
"1429361"	739.245638	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+H+CF3COOH"	115.000138
"1161225"	374.669851	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+3ACN+2H"	125.094202
"1705309"	756.272185	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+NH4+CF3COOH"	132.026685
"1646430"	761.22758	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+Na+CF3COOH"	136.98208
"1580987"	777.20152	"C18372"	"Chlorhexidine acetate"	"C22H30Cl2N10(C2H4O2)2"	"624.2455"	"M+K+CF3COOH"	152.95602
"808072"	331.1784	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M"	0
"976137"	312.16001	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-H2O-H"	-19.01839
"64379"	219.778324	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M-3H"	-3.021828
"510498"	330.171124	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M-3H"	-3.021828
"886112"	109.385524	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-3H"	-3.021828
"5780"	330.171124	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M-2H"	-2.014552
"440276"	495.760324	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M-2H"	-2.014552
"818404"	164.581924	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-2H"	-2.014552
"79729"	661.349524	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M-H"	-1.007276
"522694"	992.527924	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M-H"	-1.007276
"897953"	330.171124	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-H"	-1.007276
"54882"	678.376071	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M-2H+NH4"	16.019271
"499791"	1009.554471	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M-2H+NH4"	16.019271
"878202"	347.197671	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-2H+NH4"	16.019271
"37959"	683.331466	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M-2H+Na"	20.974666
"482991"	1014.509866	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M-2H+Na"	20.974666
"856416"	352.153066	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-2H+Na"	20.974666
"1633127"	352.153066	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Na-2H"	20.974666
"106859"	348.159463	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M-H+Cl"	33.962126
"542050"	513.748663	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M-H+Cl"	33.962126
"934473"	182.570263	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-H+Cl"	33.962126
"278498"	697.326202	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+Cl"	34.969402
"674569"	1028.504602	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+Cl"	34.969402
"1286972"	366.147802	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Cl"	34.969402
"26973"	699.305406	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M-2H+K"	36.948606
"465439"	1030.483806	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M-2H+K"	36.948606
"845428"	368.127006	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-2H+K"	36.948606
"1566729"	368.127006	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+K-2H"	36.948606
"956798"	376.176594	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-H+HCOOH"	44.998194
"372825"	707.355001	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+HCOOH-H"	44.998201
"354523"	721.370651	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+Hac-H"	59.013851
"1494971"	390.192251	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Hac-H"	59.013851
"965430"	398.158551	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-H+NaCOOH"	66.980151
"121992"	366.147802	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+2Cl"	69.938804
"558272"	531.737002	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+2Cl"	69.938804
"1036684"	200.558602	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2Cl"	69.938804
"1255772"	410.097285	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Br"	78.918885
"1318950"	412.153272	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Cl+HCOOH"	80.974872
"1334624"	434.135229	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Cl+NaCOOH"	102.956829
"924585"	444.163986	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M-H+CF3COOH"	112.985586
"1302386"	480.140664	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Cl+CF3COOH"	148.962264
"1381276"	296.165724	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H-2H2O"	-35.012676
"1397312"	314.1757	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H-H2O"	-17.0027
"292987"	663.364076	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+H"	1.007276
"687597"	994.542476	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+H"	1.007276
"1364674"	332.185676	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H"	1.007276
"135738"	332.185676	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+2H"	2.014552
"575297"	497.774876	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+2H"	2.014552
"1050658"	166.596476	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2H"	2.014552
"209447"	221.792876	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+3H"	3.021828
"649371"	332.185676	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+3H"	3.021828
"1176863"	111.400076	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+3H"	3.021828
"434057"	680.390623	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+NH4"	18.033823
"792867"	1011.569023	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+NH4"	18.033823
"1693211"	349.212223	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+NH4"	18.033823
"338570"	340.6989495	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+H+NH4"	19.041099
"732816"	506.2881495	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+H+NH4"	19.041099
"1481897"	175.1097495	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H+NH4"	19.041099
"394744"	685.346018	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+Na"	22.989218
"760115"	1016.524418	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+Na"	22.989218
"1609306"	354.167618	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Na"	22.989218
"322623"	343.176647	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+H+Na"	23.996494
"710672"	508.765847	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+H+Na"	23.996494
"1463402"	177.587447	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H+Na"	23.996494
"1056647"	118.72739	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2H+Na"	25.00377
"1263792"	364.211886	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+CH3OH+H"	33.033486
"381275"	701.319958	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+K"	38.963158
"746643"	1032.498358	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+K"	38.963158
"1546508"	370.141558	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+K"	38.963158
"299064"	351.163617	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+H+K"	39.970434
"691810"	516.752817	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+H+K"	39.970434
"1447011"	185.574417	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H+K"	39.970434
"236099"	704.390626	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+ACN+H"	42.033826
"1210305"	373.212226	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+ACN+H"	42.033826
"1194877"	187.109751	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+ACN+2H"	43.041102
"190915"	707.32796	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+2Na-H"	44.97116
"632299"	1038.50636	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+2Na-H"	44.97116
"1133979"	376.14956	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2Na-H"	44.97116
"178731"	354.167618	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+2Na"	45.978436
"615742"	519.756818	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+2Na"	45.978436
"1121799"	188.578418	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2Na"	45.978436
"1402048"	126.054704	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H+2Na"	46.985712
"1434163"	378.191146	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H+HCOOH"	47.012746
"224953"	359.20064	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+3H2O+2H"	56.04448
"1511556"	392.24319	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+IsoProp+H"	61.06479
"411972"	362.154588	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+Na+K"	61.952376
"770211"	527.743788	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+Na+K"	61.952376
"1666742"	196.565388	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Na+K"	61.952376
"252898"	726.372568	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+ACN+Na"	64.015768
"1228158"	395.194168	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+ACN+Na"	64.015768
"1715584"	395.217693	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+NH4+HCOOH"	64.039293
"1180575"	133.382018	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+3Na"	68.967654
"1651196"	400.173088	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Na+HCOOH"	68.994688
"159519"	739.27584	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+2K-H"	76.91904
"601272"	1070.45424	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+2K-H"	76.91904
"1097333"	408.09744	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2K-H"	76.91904
"149894"	370.141558	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"2M+2K"	77.926316
"588360"	535.730758	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"3M+2K"	77.926316
"1073963"	204.552358	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2K"	77.926316
"1110453"	410.111992	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2K+H"	78.933592
"1342463"	410.199607	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+DMSO+H"	79.021207
"1020969"	414.238776	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2ACN+H"	83.060376
"1535688"	415.232408	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+IsoProp+Na+H"	84.054008
"1004325"	207.623026	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+2ACN+2H"	84.067652
"1601871"	416.147028	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+K+HCOOH"	84.968628
"1428499"	446.178538	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+H+CF3COOH"	115.000138
"1160244"	228.136301	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+3ACN+2H"	125.094202
"1710887"	463.205085	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+NH4+CF3COOH"	132.026685
"1641069"	468.16048	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+Na+CF3COOH"	136.98208
"1581097"	484.13442	"C18373"	"Tetramethrin;Neo-pynamin;Phthalthrin"	"C19H25NO4"	"331.1784"	"M+K+CF3COOH"	152.95602
"804902"	364.1805	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M"	0
"976247"	345.16211	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-H2O-H"	-19.01839
"63393"	241.779724	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M-3H"	-3.021828
"507328"	363.173224	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M-3H"	-3.021828
"882942"	120.386224	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-3H"	-3.021828
"6984"	363.173224	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M-2H"	-2.014552
"440954"	545.263474	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M-2H"	-2.014552
"818633"	181.082974	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-2H"	-2.014552
"79837"	727.353724	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M-H"	-1.007276
"521100"	1091.534224	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M-H"	-1.007276
"899521"	363.173224	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-H"	-1.007276
"51710"	744.380271	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M-2H+NH4"	16.019271
"499293"	1108.560771	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M-2H+NH4"	16.019271
"878554"	380.199771	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-2H+NH4"	16.019271
"38069"	749.335666	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M-2H+Na"	20.974666
"478724"	1113.516166	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M-2H+Na"	20.974666
"850329"	385.155166	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-2H+Na"	20.974666
"1631174"	385.155166	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Na-2H"	20.974666
"107699"	381.161563	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M-H+Cl"	33.962126
"543254"	563.251813	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M-H+Cl"	33.962126
"936770"	199.071313	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-H+Cl"	33.962126
"277514"	763.330402	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+Cl"	34.969402
"675045"	1127.510902	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+Cl"	34.969402
"1288180"	399.149902	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Cl"	34.969402
"25989"	765.309606	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M-2H+K"	36.948606
"464455"	1129.490106	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M-2H+K"	36.948606
"845538"	401.129106	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-2H+K"	36.948606
"1566839"	401.129106	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+K-2H"	36.948606
"955815"	409.178694	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-H+HCOOH"	44.998194
"375851"	773.359201	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+HCOOH-H"	44.998201
"354633"	787.374851	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+Hac-H"	59.013851
"1495445"	423.194351	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Hac-H"	59.013851
"964447"	431.160651	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-H+NaCOOH"	66.980151
"117729"	399.149902	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+2Cl"	69.938804
"555103"	581.240152	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+2Cl"	69.938804
"1036914"	217.059652	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2Cl"	69.938804
"1256489"	443.099385	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Br"	78.918885
"1319749"	445.155372	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Cl+HCOOH"	80.974872
"1335481"	467.137329	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Cl+NaCOOH"	102.956829
"926155"	477.166086	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M-H+CF3COOH"	112.985586
"1301402"	513.142764	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Cl+CF3COOH"	148.962264
"1380656"	329.167824	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H-2H2O"	-35.012676
"1397422"	347.1778	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H-H2O"	-17.0027
"293097"	729.368276	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+H"	1.007276
"688799"	1093.548776	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+H"	1.007276
"1365512"	365.187776	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H"	1.007276
"135848"	365.187776	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+2H"	2.014552
"579781"	547.278026	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+2H"	2.014552
"1047488"	183.097526	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2H"	2.014552
"212109"	243.794276	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+3H"	3.021828
"650209"	365.187776	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+3H"	3.021828
"1174541"	122.400776	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+3H"	3.021828
"430886"	746.394823	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+NH4"	18.033823
"794069"	1110.575323	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+NH4"	18.033823
"1693684"	382.214323	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+NH4"	18.033823
"335400"	373.7010495	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+H+NH4"	19.041099
"732197"	555.7912995	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+H+NH4"	19.041099
"1480914"	191.6107995	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H+NH4"	19.041099
"395218"	751.350218	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+Na"	22.989218
"758037"	1115.530718	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+Na"	22.989218
"1608321"	387.169718	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Na"	22.989218
"321639"	376.178747	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+H+Na"	23.996494
"712970"	558.268997	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+H+Na"	23.996494
"1468979"	194.088497	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H+Na"	23.996494
"1061130"	129.72809	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2H+Na"	25.00377
"1264997"	397.213986	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+CH3OH+H"	33.033486
"384665"	767.324158	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+K"	38.963158
"746754"	1131.504658	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+K"	38.963158
"1546618"	403.143658	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+K"	38.963158
"299902"	384.165717	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+H+K"	39.970434
"694027"	566.255967	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+H+K"	39.970434
"1447122"	202.075467	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H+K"	39.970434
"236820"	770.394826	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+ACN+H"	42.033826
"1211347"	406.214326	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+ACN+H"	42.033826
"1196323"	203.610801	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+ACN+2H"	43.041102
"192485"	773.33216	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+2Na-H"	44.97116
"634231"	1137.51266	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+2Na-H"	44.97116
"1134454"	409.15166	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2Na-H"	44.97116
"178841"	387.169718	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+2Na"	45.978436
"618403"	569.259968	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+2Na"	45.978436
"1116440"	205.079468	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2Na"	45.978436
"1405438"	137.055404	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H+2Na"	46.985712
"1434273"	411.193246	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H+HCOOH"	47.012746
"223970"	392.20274	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+3H2O+2H"	56.04448
"1508992"	425.24529	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+IsoProp+H"	61.06479
"408961"	395.156688	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+Na+K"	61.952376
"772715"	577.246938	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+Na+K"	61.952376
"1666858"	213.066438	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Na+K"	61.952376
"252037"	792.376768	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+ACN+Na"	64.015768
"1227172"	428.196268	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+ACN+Na"	64.015768
"1714605"	428.219793	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+NH4+HCOOH"	64.039293
"1179225"	144.382718	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+3Na"	68.967654
"1650127"	433.175188	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Na+HCOOH"	68.994688
"157482"	805.28004	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+2K-H"	76.91904
"602111"	1169.46054	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+2K-H"	76.91904
"1097564"	441.09954	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2K-H"	76.91904
"152191"	403.143658	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"2M+2K"	77.926316
"588470"	585.233908	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"3M+2K"	77.926316
"1075167"	221.053408	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2K"	77.926316
"1108377"	443.114092	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2K+H"	78.933592
"1343669"	443.201707	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+DMSO+H"	79.021207
"1020592"	447.240876	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2ACN+H"	83.060376
"1536527"	448.234508	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+IsoProp+Na+H"	84.054008
"1005599"	224.124076	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+2ACN+2H"	84.067652
"1601494"	449.149128	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+K+HCOOH"	84.968628
"1428973"	479.180638	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+H+CF3COOH"	115.000138
"1161447"	244.637351	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+3ACN+2H"	125.094202
"1708810"	496.207185	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+NH4+CF3COOH"	132.026685
"1641179"	501.16258	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+Na+CF3COOH"	136.98208
"1581207"	517.13652	"C18374"	"Clostebol acetate"	"C21H29ClO3"	"364.1805"	"M+K+CF3COOH"	152.95602
"808292"	406.1547	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M"	0
"981824"	387.13631	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-H2O-H"	-19.01839
"68973"	269.762524	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M-3H"	-3.021828
"510719"	405.147424	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M-3H"	-3.021828
"887426"	134.377624	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-3H"	-3.021828
"7094"	405.147424	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M-2H"	-2.014552
"446655"	608.224774	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M-2H"	-2.014552
"819354"	202.070074	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-2H"	-2.014552
"83353"	811.302124	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M-H"	-1.007276
"522915"	1217.456824	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M-H"	-1.007276
"901818"	405.147424	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-H"	-1.007276
"55099"	828.328671	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M-2H+NH4"	16.019271
"499036"	1234.483371	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M-2H+NH4"	16.019271
"873559"	422.173971	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-2H+NH4"	16.019271
"39272"	833.284066	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M-2H+Na"	20.974666
"478834"	1239.438766	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M-2H+Na"	20.974666
"853349"	427.129366	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-2H+Na"	20.974666
"1621796"	427.129366	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Na-2H"	20.974666
"108779"	423.135763	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M-H+Cl"	33.962126
"544459"	626.213113	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M-H+Cl"	33.962126
"935786"	220.058413	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-H+Cl"	33.962126
"277624"	847.278802	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+Cl"	34.969402
"675409"	1253.433502	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+Cl"	34.969402
"1286832"	441.124102	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Cl"	34.969402
"27926"	849.258006	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M-2H+K"	36.948606
"468213"	1255.412706	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M-2H+K"	36.948606
"845286"	443.103306	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-2H+K"	36.948606
"1570965"	443.103306	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+K-2H"	36.948606
"957021"	451.152894	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-H+HCOOH"	44.998194
"375233"	857.307601	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+HCOOH-H"	44.998201
"355836"	871.323251	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+Hac-H"	59.013851
"1499199"	465.168551	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Hac-H"	59.013851
"972941"	473.134851	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-H+NaCOOH"	66.980151
"121118"	441.124102	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+2Cl"	69.938804
"564326"	644.201452	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+2Cl"	69.938804
"1035320"	238.046752	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2Cl"	69.938804
"1254531"	485.073585	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Br"	78.918885
"1318806"	487.129572	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Cl+HCOOH"	80.974872
"1334114"	509.111529	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Cl+NaCOOH"	102.956829
"925170"	519.140286	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M-H+CF3COOH"	112.985586
"1303217"	555.116964	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Cl+CF3COOH"	148.962264
"1380038"	371.142024	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H-2H2O"	-35.012676
"1397168"	389.152	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H-H2O"	-17.0027
"295395"	813.316676	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+H"	1.007276
"682349"	1219.471376	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+H"	1.007276
"1361978"	407.161976	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H"	1.007276
"138146"	407.161976	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+2H"	2.014552
"577705"	610.239326	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+2H"	2.014552
"1047598"	204.084626	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2H"	2.014552
"212219"	271.777076	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+3H"	3.021828
"651048"	407.161976	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+3H"	3.021828
"1172099"	136.392176	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+3H"	3.021828
"432089"	830.343223	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+NH4"	18.033823
"790899"	1236.497923	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+NH4"	18.033823
"1692700"	424.188523	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+NH4"	18.033823
"340614"	415.6752495	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+H+NH4"	19.041099
"732307"	618.7525995	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+H+NH4"	19.041099
"1481024"	212.5978995	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H+NH4"	19.041099
"397517"	835.298618	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+Na"	22.989218
"759242"	1241.453318	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+Na"	22.989218
"1608432"	429.143918	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Na"	22.989218
"321750"	418.152947	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+H+Na"	23.996494
"713080"	621.230297	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+H+Na"	23.996494
"1464715"	215.075597	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H+Na"	23.996494
"1059055"	143.71949	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2H+Na"	25.00377
"1264014"	439.188186	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+CH3OH+H"	33.033486
"380403"	851.272558	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+K"	38.963158
"742492"	1257.427258	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+K"	38.963158
"1544543"	445.117858	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+K"	38.963158
"300255"	426.139917	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+H+K"	39.970434
"695595"	629.217267	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+H+K"	39.970434
"1447600"	223.062567	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H+K"	39.970434
"239845"	854.343226	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+ACN+H"	42.033826
"1212552"	448.188526	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+ACN+H"	42.033826
"1195338"	224.597901	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+ACN+2H"	43.041102
"192591"	857.28056	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+2Na-H"	44.97116
"635434"	1263.43526	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+2Na-H"	44.97116
"1141127"	451.12586	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2Na-H"	44.97116
"183325"	429.143918	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+2Na"	45.978436
"620701"	632.221268	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+2Na"	45.978436
"1118739"	226.066568	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2Na"	45.978436
"1405548"	151.046804	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H+2Na"	46.985712
"1434383"	453.167446	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H+HCOOH"	47.012746
"227360"	434.17694	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+3H2O+2H"	56.04448
"1509589"	467.21949	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+IsoProp+H"	61.06479
"409033"	437.130888	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+Na+K"	61.952376
"773918"	640.208238	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+Na+K"	61.952376
"1667696"	234.053538	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Na+K"	61.952376
"252390"	876.325168	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+ACN+Na"	64.015768
"1225947"	470.170468	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+ACN+Na"	64.015768
"1713250"	470.193993	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+NH4+HCOOH"	64.039293
"1179335"	158.374118	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+3Na"	68.967654
"1650684"	475.149388	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Na+HCOOH"	68.994688
"161566"	889.22844	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+2K-H"	76.91904
"600035"	1295.38314	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+2K-H"	76.91904
"1097677"	483.07374	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2K-H"	76.91904
"154489"	445.117858	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"2M+2K"	77.926316
"595141"	648.195208	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"3M+2K"	77.926316
"1082934"	242.040508	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2K"	77.926316
"1114565"	485.088292	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2K+H"	78.933592
"1343779"	485.175907	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+DMSO+H"	79.021207
"1020828"	489.215076	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2ACN+H"	83.060376
"1537853"	490.208708	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+IsoProp+Na+H"	84.054008
"1005154"	245.111176	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+2ACN+2H"	84.067652
"1600141"	491.123328	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+K+HCOOH"	84.968628
"1428964"	521.154838	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+H+CF3COOH"	115.000138
"1159369"	265.624451	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+3ACN+2H"	125.094202
"1708920"	538.181385	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+NH4+CF3COOH"	132.026685
"1641289"	543.13678	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+Na+CF3COOH"	136.98208
"1584597"	559.11072	"C18375"	"Osaterone acetate"	"C22H27ClO5"	"406.1547"	"M+K+CF3COOH"	152.95602
"808402"	434.1213	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M"	0
"976467"	415.10291	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-H2O-H"	-19.01839
"64710"	288.406924	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M-3H"	-3.021828
"506454"	433.114024	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M-3H"	-3.021828
"888630"	143.699824	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-3H"	-3.021828
"2465"	433.114024	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M-2H"	-2.014552
"441294"	650.174674	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M-2H"	-2.014552
"818734"	216.053374	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-2H"	-2.014552
"80909"	867.235324	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M-H"	-1.007276
"520105"	1301.356624	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M-H"	-1.007276
"900834"	433.114024	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-H"	-1.007276
"55209"	884.261871	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M-2H+NH4"	16.019271
"496959"	1318.383171	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M-2H+NH4"	16.019271
"876949"	450.140571	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-2H+NH4"	16.019271
"44487"	889.217266	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M-2H+Na"	20.974666
"478944"	1323.338566	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M-2H+Na"	20.974666
"852369"	455.095966	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-2H+Na"	20.974666
"1624092"	455.095966	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Na-2H"	20.974666
"108889"	451.102363	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M-H+Cl"	33.962126
"545662"	668.163013	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M-H+Cl"	33.962126
"939175"	234.041713	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-H+Cl"	33.962126
"277734"	903.212002	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+Cl"	34.969402
"674539"	1337.333302	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+Cl"	34.969402
"1287552"	469.090702	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Cl"	34.969402
"30952"	905.191206	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M-2H+K"	36.948606
"470147"	1339.312506	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M-2H+K"	36.948606
"845758"	471.069906	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-2H+K"	36.948606
"1569614"	471.069906	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+K-2H"	36.948606
"956401"	479.119494	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-H+HCOOH"	44.998194
"376319"	913.240801	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+HCOOH-H"	44.998201
"355946"	927.256451	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+Hac-H"	59.013851
"1503685"	493.135151	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Hac-H"	59.013851
"973417"	501.101451	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-H+NaCOOH"	66.980151
"121228"	469.090702	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+2Cl"	69.938804
"562980"	686.151352	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+2Cl"	69.938804
"1036401"	252.030052	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2Cl"	69.938804
"1256712"	513.040185	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Br"	78.918885
"1319524"	515.096172	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Cl+HCOOH"	80.974872
"1325839"	537.078129	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Cl+NaCOOH"	102.956829
"921271"	547.106886	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M-H+CF3COOH"	112.985586
"1293604"	583.083564	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Cl+CF3COOH"	148.962264
"1378326"	399.108624	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H-2H2O"	-35.012676
"1392541"	417.1186	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H-H2O"	-17.0027
"288945"	869.249876	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+H"	1.007276
"681365"	1303.371176	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+H"	1.007276
"1359901"	435.128576	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H"	1.007276
"131696"	435.128576	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+2H"	2.014552
"569068"	652.189226	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+2H"	2.014552
"1041149"	218.067926	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2H"	2.014552
"210143"	290.421476	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+3H"	3.021828
"652984"	435.128576	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+3H"	3.021828
"1172209"	145.714376	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+3H"	3.021828
"431105"	886.276423	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+NH4"	18.033823
"789915"	1320.397723	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+NH4"	18.033823
"1692812"	452.155123	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+NH4"	18.033823
"338902"	443.6418495	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+H+NH4"	19.041099
"726949"	660.7024995	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+H+NH4"	19.041099
"1481135"	226.5811995	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H+NH4"	19.041099
"393620"	891.231818	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+Na"	22.989218
"755343"	1325.353118	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+Na"	22.989218
"1605628"	457.110518	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Na"	22.989218
"316757"	446.119547	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+H+Na"	23.996494
"711003"	663.180197	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+H+Na"	23.996494
"1467012"	229.058897	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H+Na"	23.996494
"1056979"	153.04169	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2H+Na"	25.00377
"1263033"	467.154786	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+CH3OH+H"	33.033486
"384886"	907.205758	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+K"	38.963158
"746975"	1341.327058	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+K"	38.963158
"1543921"	473.084458	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+K"	38.963158
"301096"	454.106517	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+H+K"	39.970434
"694979"	671.167167	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+H+K"	39.970434
"1450625"	237.045867	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H+K"	39.970434
"239955"	910.276426	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+ACN+H"	42.033826
"1215944"	476.155126	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+ACN+H"	42.033826
"1197639"	238.581201	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+ACN+2H"	43.041102
"192700"	913.21376	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+2Na-H"	44.97116
"635544"	1347.33506	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+2Na-H"	44.97116
"1141237"	479.09246	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2Na-H"	44.97116
"181247"	457.110518	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+2Na"	45.978436
"620810"	674.171168	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+2Na"	45.978436
"1118849"	240.049868	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2Na"	45.978436
"1405658"	160.369004	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H+2Na"	46.985712
"1434493"	481.134046	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H+HCOOH"	47.012746
"227470"	462.14354	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+3H2O+2H"	56.04448
"1514439"	495.18609	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+IsoProp+H"	61.06479
"418499"	465.097488	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+Na+K"	61.952376
"774028"	682.158138	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+Na+K"	61.952376
"1670359"	248.036838	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Na+K"	61.952376
"253230"	932.258368	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+ACN+Na"	64.015768
"1227145"	498.137068	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+ACN+Na"	64.015768
"1716283"	498.160593	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+NH4+HCOOH"	64.039293
"1180174"	167.696318	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+3Na"	68.967654
"1651766"	503.115988	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Na+HCOOH"	68.994688
"163133"	945.16164	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+2K-H"	76.91904
"601238"	1379.28294	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+2K-H"	76.91904
"1097787"	511.04034	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2K-H"	76.91904
"155938"	473.084458	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"2M+2K"	77.926316
"594157"	690.145108	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"3M+2K"	77.926316
"1078670"	256.023808	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2K"	77.926316
"1112972"	513.054892	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2K+H"	78.933592
"1344982"	513.142507	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+DMSO+H"	79.021207
"1020331"	517.181676	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2ACN+H"	83.060376
"1538692"	518.175308	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+IsoProp+Na+H"	84.054008
"1005350"	259.094476	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+2ACN+2H"	84.067652
"1600251"	519.089928	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+K+HCOOH"	84.968628
"1428098"	549.121438	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+H+CF3COOH"	115.000138
"1152916"	279.607751	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+3ACN+2H"	125.094202
"1705749"	566.147985	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+NH4+CF3COOH"	132.026685
"1637024"	571.10338	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+Na+CF3COOH"	136.98208
"1584707"	587.07732	"C18376"	"Fursultiamine hydrochloride"	"C17H26N4O3S2HCl"	"434.1213"	"M+K+CF3COOH"	152.95602
"808512"	562.2144	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M"	0
"979857"	543.19601	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-H2O-H"	-19.01839
"65913"	373.802324	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M-3H"	-3.021828
"505471"	561.207124	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M-3H"	-3.021828
"885461"	186.397524	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-3H"	-3.021828
"1847"	561.207124	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M-2H"	-2.014552
"440189"	842.314324	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M-2H"	-2.014552
"817752"	280.099924	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-2H"	-2.014552
"79564"	1123.421524	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M-H"	-1.007276
"518835"	1685.635924	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M-H"	-1.007276
"899851"	561.207124	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-H"	-1.007276
"53133"	1140.448071	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M-2H+NH4"	16.019271
"495976"	1702.662471	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M-2H+NH4"	16.019271
"877059"	578.233671	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-2H+NH4"	16.019271
"41680"	1145.403466	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M-2H+Na"	20.974666
"477958"	1707.617866	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M-2H+Na"	20.974666
"853571"	583.189066	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-2H+Na"	20.974666
"1624202"	583.189066	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Na-2H"	20.974666
"108756"	579.195463	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M-H+Cl"	33.962126
"541389"	860.302663	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M-H+Cl"	33.962126
"932716"	298.088263	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-H+Cl"	33.962126
"279668"	1159.398202	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+Cl"	34.969402
"674283"	1721.612602	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+Cl"	34.969402
"1288224"	597.183802	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Cl"	34.969402
"31186"	1161.377406	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M-2H+K"	36.948606
"469161"	1723.591806	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M-2H+K"	36.948606
"847327"	599.163006	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-2H+K"	36.948606
"1570088"	599.163006	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+K-2H"	36.948606
"957891"	607.212594	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-H+HCOOH"	44.998194
"376186"	1169.427001	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+HCOOH-H"	44.998201
"356056"	1183.442651	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+Hac-H"	59.013851
"1503795"	621.228251	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Hac-H"	59.013851
"972432"	629.194551	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-H+NaCOOH"	66.980151
"121338"	597.183802	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+2Cl"	69.938804
"564425"	878.291002	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+2Cl"	69.938804
"1036918"	316.076602	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2Cl"	69.938804
"1256576"	641.133285	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Br"	78.918885
"1318660"	643.189272	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Cl+HCOOH"	80.974872
"1327042"	665.171229	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Cl+NaCOOH"	102.956829
"923567"	675.199986	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M-H+CF3COOH"	112.985586
"1294807"	711.176664	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Cl+CF3COOH"	148.962264
"1378436"	527.201724	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H-2H2O"	-35.012676
"1393380"	545.2117	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H-H2O"	-17.0027
"290149"	1125.436076	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+H"	1.007276
"683663"	1687.650476	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+H"	1.007276
"1357823"	563.221676	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H"	1.007276
"131807"	563.221676	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+2H"	2.014552
"571365"	844.328876	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+2H"	2.014552
"1041258"	282.114476	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2H"	2.014552
"211346"	375.816876	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+3H"	3.021828
"652000"	563.221676	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+3H"	3.021828
"1169039"	188.412076	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+3H"	3.021828
"431217"	1142.462623	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+NH4"	18.033823
"793304"	1704.677023	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+NH4"	18.033823
"1685264"	580.248223	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+NH4"	18.033823
"332447"	571.7349495	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+H+NH4"	19.041099
"726695"	852.8421495	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+H+NH4"	19.041099
"1480150"	290.6277495	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H+NH4"	19.041099
"395184"	1147.418018	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+Na"	22.989218
"756911"	1709.632418	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+Na"	22.989218
"1605373"	585.203618	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Na"	22.989218
"316866"	574.212647	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+H+Na"	23.996494
"713300"	855.319847	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+H+Na"	23.996494
"1468216"	293.105447	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H+Na"	23.996494
"1054903"	195.73939	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2H+Na"	25.00377
"1266423"	595.247886	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+CH3OH+H"	33.033486
"384996"	1163.391958	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+K"	38.963158
"745992"	1725.606358	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+K"	38.963158
"1543667"	601.177558	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+K"	38.963158
"299749"	582.199617	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+H+K"	39.970434
"693996"	863.306817	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+H+K"	39.970434
"1448549"	301.092417	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H+K"	39.970434
"239336"	1166.462626	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+ACN+H"	42.033826
"1214961"	604.248226	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+ACN+H"	42.033826
"1198844"	302.627751	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+ACN+2H"	43.041102
"192810"	1169.39996	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+2Na-H"	44.97116
"637841"	1731.61436	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+2Na-H"	44.97116
"1141347"	607.18556	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2Na-H"	44.97116
"184637"	585.203618	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+2Na"	45.978436
"620920"	866.310818	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+2Na"	45.978436
"1123332"	304.096418	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2Na"	45.978436
"1402488"	203.066704	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H+2Na"	46.985712
"1436789"	609.227146	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H+HCOOH"	47.012746
"228673"	590.23664	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+3H2O+2H"	56.04448
"1514549"	623.27919	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+IsoProp+H"	61.06479
"415329"	593.190588	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+Na+K"	61.952376
"773405"	874.297788	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+Na+K"	61.952376
"1671924"	312.083388	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Na+K"	61.952376
"256256"	1188.444568	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+ACN+Na"	64.015768
"1227141"	626.230168	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+ACN+Na"	64.015768
"1716393"	626.253693	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+NH4+HCOOH"	64.039293
"1179924"	210.394018	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+3Na"	68.967654
"1651024"	631.209088	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Na+HCOOH"	68.994688
"165065"	1201.34784	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+2K-H"	76.91904
"604628"	1763.56224	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+2K-H"	76.91904
"1099640"	639.13344	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2K-H"	76.91904
"156983"	601.177558	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"2M+2K"	77.926316
"594267"	882.284758	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"3M+2K"	77.926316
"1080967"	320.070358	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2K"	77.926316
"1113082"	641.147992	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2K+H"	78.933592
"1346185"	641.235607	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+DMSO+H"	79.021207
"1020562"	645.274776	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2ACN+H"	83.060376
"1539655"	646.268408	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+IsoProp+Na+H"	84.054008
"1005136"	323.141026	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+2ACN+2H"	84.067652
"1601698"	647.183028	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+K+HCOOH"	84.968628
"1428208"	677.214538	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+H+CF3COOH"	115.000138
"1153026"	343.654301	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+3ACN+2H"	125.094202
"1705859"	694.241085	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+NH4+CF3COOH"	132.026685
"1637134"	699.19648	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+Na+CF3COOH"	136.98208
"1584817"	715.17042	"C18377"	"Thiamine disulfide"	"C24H34N8O4S2"	"562.2144"	"M+K+CF3COOH"	152.95602
"808622"	276.0068	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M"	0
"975594"	256.98841	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-H2O-H"	-19.01839
"63039"	182.997257333333	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M-3H"	-3.021828
"504488"	274.999524	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M-3H"	-3.021828
"885571"	90.9949906666667	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-3H"	-3.021828
"4144"	274.999524	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M-2H"	-2.014552
"440664"	413.002924	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M-2H"	-2.014552
"817157"	136.996124	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-2H"	-2.014552
"80040"	551.006324	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M-H"	-1.007276
"520329"	827.013124	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M-H"	-1.007276
"898138"	274.999524	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-H"	-1.007276
"52150"	568.032871	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M-2H+NH4"	16.019271
"496086"	844.039671	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M-2H+NH4"	16.019271
"876076"	292.026071	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-2H+NH4"	16.019271
"41790"	572.988266	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M-2H+Na"	20.974666
"474789"	848.995066	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M-2H+Na"	20.974666
"850399"	296.981466	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-2H+Na"	20.974666
"1621031"	296.981466	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Na-2H"	20.974666
"108501"	292.987863	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M-H+Cl"	33.962126
"541499"	430.991263	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M-H+Cl"	33.962126
"932826"	154.984463	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-H+Cl"	33.962126
"280135"	586.983002	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+Cl"	34.969402
"675533"	862.989802	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+Cl"	34.969402
"1288418"	310.976202	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Cl"	34.969402
"30443"	588.962206	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M-2H+K"	36.948606
"468906"	864.969006	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M-2H+K"	36.948606
"848169"	312.955406	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-2H+K"	36.948606
"1570685"	312.955406	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+K-2H"	36.948606
"956258"	321.004994	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-H+HCOOH"	44.998194
"375203"	597.011801	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+HCOOH-H"	44.998201
"358353"	611.027451	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+Hac-H"	59.013851
"1507064"	335.020651	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Hac-H"	59.013851
"971449"	342.986951	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-H+NaCOOH"	66.980151
"121449"	310.976202	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+2Cl"	69.938804
"563927"	448.979602	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+2Cl"	69.938804
"1036382"	172.972802	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2Cl"	69.938804
"1255962"	354.925685	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Br"	78.918885
"1318406"	356.981672	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Cl+HCOOH"	80.974872
"1332255"	378.963629	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Cl+NaCOOH"	102.956829
"922585"	388.992386	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M-H+CF3COOH"	112.985586
"1297834"	424.969064	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Cl+CF3COOH"	148.962264
"1380370"	240.994124	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H-2H2O"	-35.012676
"1395313"	259.0041	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H-H2O"	-17.0027
"290259"	553.020876	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+H"	1.007276
"687053"	829.027676	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+H"	1.007276
"1357933"	277.014076	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H"	1.007276
"131917"	277.014076	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+2H"	2.014552
"570382"	415.017476	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+2H"	2.014552
"1040275"	139.010676	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2H"	2.014552
"211456"	185.011809333333	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+3H"	3.021828
"648830"	277.014076	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+3H"	3.021828
"1172429"	93.0095426666667	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+3H"	3.021828
"434608"	570.047423	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+NH4"	18.033823
"792321"	846.054223	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+NH4"	18.033823
"1685374"	294.040623	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+NH4"	18.033823
"331464"	285.5273495	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+H+NH4"	19.041099
"726805"	423.5307495	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+H+NH4"	19.041099
"1479896"	147.5239495	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H+NH4"	19.041099
"393230"	575.002818	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+Na"	22.989218
"757750"	851.009618	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+Na"	22.989218
"1604511"	298.996018	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Na"	22.989218
"316735"	288.005047	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+H+Na"	23.996494
"711225"	426.008447	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+H+Na"	23.996494
"1466140"	150.001647	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H+Na"	23.996494
"1057200"	100.336856666667	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2H+Na"	25.00377
"1265439"	309.040286	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+CH3OH+H"	33.033486
"382919"	590.976758	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+K"	38.963158
"745006"	866.983558	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+K"	38.963158
"1543777"	314.969958	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+K"	38.963158
"301317"	295.992017	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+H+K"	39.970434
"692643"	433.995417	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+H+K"	39.970434
"1447557"	157.988617	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H+K"	39.970434
"236893"	594.047426	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+ACN+H"	42.033826
"1212881"	318.040626	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+ACN+H"	42.033826
"1196400"	159.523951	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+ACN+2H"	43.041102
"191094"	596.98476	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+2Na-H"	44.97116
"637951"	872.99156	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+2Na-H"	44.97116
"1142550"	320.97796	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2Na-H"	44.97116
"180374"	298.996018	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+2Na"	45.978436
"613374"	436.999418	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+2Na"	45.978436
"1116148"	160.992618	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2Na"	45.978436
"1402597"	107.664170666667	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H+2Na"	46.985712
"1431553"	323.019546	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H+HCOOH"	47.012746
"226596"	304.02904	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+3H2O+2H"	56.04448
"1511743"	337.07159	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+IsoProp+H"	61.06479
"415439"	306.982988	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+Na+K"	61.952376
"770111"	444.986388	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+Na+K"	61.952376
"1671670"	168.979588	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Na+K"	61.952376
"256366"	616.029368	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+ACN+Na"	64.015768
"1226761"	340.022568	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+ACN+Na"	64.015768
"1715774"	340.046093	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+NH4+HCOOH"	64.039293
"1180034"	114.991484666667	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+3Na"	68.967654
"1650411"	345.001488	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Na+HCOOH"	68.994688
"166271"	628.93264	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+2K-H"	76.91904
"604738"	904.93944	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+2K-H"	76.91904
"1098007"	352.92584	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2K-H"	76.91904
"155915"	314.969958	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"2M+2K"	77.926316
"596735"	452.973358	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"3M+2K"	77.926316
"1078890"	176.966558	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2K"	77.926316
"1111005"	354.940392	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2K+H"	78.933592
"1344108"	355.028007	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+DMSO+H"	79.021207
"1020994"	359.067176	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2ACN+H"	83.060376
"1537818"	360.060808	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+IsoProp+Na+H"	84.054008
"1005322"	180.037226	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+2ACN+2H"	84.067652
"1598284"	360.975428	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+K+HCOOH"	84.968628
"1427225"	391.006938	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+H+CF3COOH"	115.000138
"1152043"	200.550501	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+3ACN+2H"	125.094202
"1705969"	408.033485	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+NH4+CF3COOH"	132.026685
"1637245"	412.98888	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+Na+CF3COOH"	136.98208
"1584927"	428.96282	"C18378"	"Menadione sodium bisulfite"	"C11H9O5SNa"	"276.0068"	"M+K+CF3COOH"	152.95602
"807640"	186.0205	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M"	0
"978985"	167.00211	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-H2O-H"	-19.01839
"63101"	123.006390666667	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M-3H"	-3.021828
"507151"	185.013224	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M-3H"	-3.021828
"884588"	60.9995573333333	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-3H"	-3.021828
"3161"	185.013224	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M-2H"	-2.014552
"441016"	278.023474	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M-2H"	-2.014552
"817106"	92.002974	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-2H"	-2.014552
"81611"	371.033724	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M-H"	-1.007276
"519948"	557.054224	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M-H"	-1.007276
"903352"	185.013224	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-H"	-1.007276
"52260"	388.060271	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M-2H+NH4"	16.019271
"492916"	574.080771	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M-2H+NH4"	16.019271
"876186"	202.039771	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-2H+NH4"	16.019271
"38620"	393.015666	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M-2H+Na"	20.974666
"474533"	579.036166	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M-2H+Na"	20.974666
"850144"	206.995166	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-2H+Na"	20.974666
"1622234"	206.995166	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Na-2H"	20.974666
"97670"	203.001563	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M-H+Cl"	33.962126
"541609"	296.011813	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M-H+Cl"	33.962126
"934028"	109.991313	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-H+Cl"	33.962126
"267480"	407.010402	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+Cl"	34.969402
"675442"	593.030902	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+Cl"	34.969402
"1288405"	220.989902	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Cl"	34.969402
"31284"	408.989606	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M-2H+K"	36.948606
"471133"	595.010106	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M-2H+K"	36.948606
"848373"	222.969106	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-2H+K"	36.948606
"1570803"	222.969106	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+K-2H"	36.948606
"958366"	231.018694	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-H+HCOOH"	44.998194
"375679"	417.039201	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+HCOOH-H"	44.998201
"359925"	431.054851	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+Hac-H"	59.013851
"1506569"	245.034351	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Hac-H"	59.013851
"971563"	253.000651	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-H+NaCOOH"	66.980151
"121559"	220.989902	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+2Cl"	69.938804
"564040"	314.000152	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+2Cl"	69.938804
"1036127"	127.979652	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2Cl"	69.938804
"1256558"	264.939385	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Br"	78.918885
"1318152"	266.995372	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Cl+HCOOH"	80.974872
"1335212"	288.977329	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Cl+NaCOOH"	102.956829
"922331"	299.006086	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M-H+CF3COOH"	112.985586
"1302562"	334.982764	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Cl+CF3COOH"	148.962264
"1381819"	151.007824	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H-2H2O"	-35.012676
"1396152"	169.0178	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H-H2O"	-17.0027
"290369"	373.048276	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+H"	1.007276
"687163"	559.068776	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+H"	1.007276
"1358043"	187.027776	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H"	1.007276
"132027"	187.027776	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+2H"	2.014552
"570492"	280.038026	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+2H"	2.014552
"1040385"	94.017526	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2H"	2.014552
"211566"	125.020942666667	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+3H"	3.021828
"649304"	187.027776	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+3H"	3.021828
"1169259"	63.0141093333333	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+3H"	3.021828
"432532"	390.074823	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+NH4"	18.033823
"793525"	576.095323	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+NH4"	18.033823
"1683661"	204.054323	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+NH4"	18.033823
"333761"	195.5410495	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+H+NH4"	19.041099
"731654"	288.5512995	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+H+NH4"	19.041099
"1481100"	102.5307995	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H+NH4"	19.041099
"394677"	395.030218	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+Na"	22.989218
"754366"	581.050718	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+Na"	22.989218
"1603647"	209.009718	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Na"	22.989218
"314654"	198.018747	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+H+Na"	23.996494
"711334"	291.028997	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+H+Na"	23.996494
"1467345"	105.008497	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H+Na"	23.996494
"1058403"	70.3414233333333	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2H+Na"	25.00377
"1260082"	219.053986	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+CH3OH+H"	33.033486
"383029"	411.004158	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+K"	38.963158
"744023"	597.024658	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+K"	38.963158
"1545343"	224.983658	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+K"	38.963158
"301426"	206.005717	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+H+K"	39.970434
"691818"	299.015967	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+H+K"	39.970434
"1446449"	112.995467	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H+K"	39.970434
"237731"	414.074826	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+ACN+H"	42.033826
"1211534"	228.054326	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+ACN+H"	42.033826
"1195780"	114.530801	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+ACN+2H"	43.041102
"189091"	417.01216	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+2Na-H"	44.97116
"634781"	603.03266	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+2Na-H"	44.97116
"1141568"	230.99166	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2Na-H"	44.97116
"181577"	209.009718	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+2Na"	45.978436
"614211"	302.019968	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+2Na"	45.978436
"1117107"	115.999468	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2Na"	45.978436
"1401978"	77.6687373333333	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H+2Na"	46.985712
"1434822"	233.033246	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H+HCOOH"	47.012746
"225613"	214.04274	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+3H2O+2H"	56.04448
"1512582"	247.08529	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+IsoProp+H"	61.06479
"415549"	216.996688	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+Na+K"	61.952376
"770463"	310.006938	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+Na+K"	61.952376
"1670687"	123.986438	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Na+K"	61.952376
"256476"	436.056768	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+ACN+Na"	64.015768
"1228821"	250.036268	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+ACN+Na"	64.015768
"1714176"	250.059793	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+NH4+HCOOH"	64.039293
"1181238"	84.9960513333333	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+3Na"	68.967654
"1650317"	255.015188	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Na+HCOOH"	68.994688
"166381"	448.96004	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+2K-H"	76.91904
"601932"	634.98054	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+2K-H"	76.91904
"1097023"	262.93954	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2K-H"	76.91904
"155540"	224.983658	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"2M+2K"	77.926316
"593395"	317.993908	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"3M+2K"	77.926316
"1079000"	131.973408	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2K"	77.926316
"1108928"	264.954092	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2K+H"	78.933592
"1343125"	265.041707	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+DMSO+H"	79.021207
"1021223"	269.080876	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2ACN+H"	83.060376
"1537440"	270.074508	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+IsoProp+Na+H"	84.054008
"1002798"	135.044076	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+2ACN+2H"	84.067652
"1598394"	270.989128	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+K+HCOOH"	84.968628
"1427335"	301.020638	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+H+CF3COOH"	115.000138
"1152153"	155.557351	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+3ACN+2H"	125.094202
"1706079"	318.047185	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+NH4+CF3COOH"	132.026685
"1638448"	323.00258	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+Na+CF3COOH"	136.98208
"1585037"	338.97652	"C18379"	"Calcium propionate"	"C6H10CaO4"	"186.0205"	"M+K+CF3COOH"	152.95602
"811033"	270.0416	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M"	0
"978004"	251.02321	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-H2O-H"	-19.01839
"63810"	179.020457333333	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M-3H"	-3.021828
"505071"	269.034324	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M-3H"	-3.021828
"882509"	89.0065906666667	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-3H"	-3.021828
"640"	269.034324	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M-2H"	-2.014552
"441375"	404.055124	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M-2H"	-2.014552
"819907"	134.013524	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-2H"	-2.014552
"81718"	539.075924	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M-H"	-1.007276
"521285"	809.117524	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M-H"	-1.007276
"902369"	269.034324	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-H"	-1.007276
"51277"	556.102471	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M-2H+NH4"	16.019271
"497403"	826.144071	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M-2H+NH4"	16.019271
"867183"	286.060871	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-2H+NH4"	16.019271
"36541"	561.057866	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M-2H+Na"	20.974666
"479387"	831.099466	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M-2H+Na"	20.974666
"862661"	291.016266	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-2H+Na"	20.974666
"1631098"	291.016266	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Na-2H"	20.974666
"102159"	287.022663	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M-H+Cl"	33.962126
"546100"	422.043463	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M-H+Cl"	33.962126
"941686"	152.001863	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-H+Cl"	33.962126
"282192"	575.052602	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+Cl"	34.969402
"674373"	845.094202	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+Cl"	34.969402
"1287141"	305.011002	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Cl"	34.969402
"30672"	577.031806	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M-2H+K"	36.948606
"470716"	847.073406	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M-2H+K"	36.948606
"847426"	306.990206	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-2H+K"	36.948606
"1570422"	306.990206	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+K-2H"	36.948606
"958185"	315.039794	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-H+HCOOH"	44.998194
"375062"	585.081401	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+HCOOH-H"	44.998201
"359674"	599.097051	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+Hac-H"	59.013851
"1507049"	329.055451	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Hac-H"	59.013851
"970941"	337.021751	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-H+NaCOOH"	66.980151
"124959"	305.011002	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+2Cl"	69.938804
"564523"	440.031802	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+2Cl"	69.938804
"1036487"	169.990202	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2Cl"	69.938804
"1256182"	348.960485	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Br"	78.918885
"1318262"	351.016472	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Cl+HCOOH"	80.974872
"1335151"	372.998429	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Cl+NaCOOH"	102.956829
"926699"	383.027186	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M-H+CF3COOH"	112.985586
"1302672"	419.003864	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Cl+CF3COOH"	148.962264
"1382131"	235.028924	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H-2H2O"	-35.012676
"1395171"	253.0389	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H-H2O"	-17.0027
"294492"	541.090476	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+H"	1.007276
"686183"	811.132076	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+H"	1.007276
"1362167"	271.048876	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H"	1.007276
"135417"	271.048876	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+2H"	2.014552
"573883"	406.069676	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+2H"	2.014552
"1042683"	136.028076	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2H"	2.014552
"217148"	181.035009333333	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+3H"	3.021828
"656709"	271.048876	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+3H"	3.021828
"1172649"	91.0211426666667	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+3H"	3.021828
"426444"	558.117023	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+NH4"	18.033823
"788172"	828.158623	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+NH4"	18.033823
"1683406"	288.075423	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+NH4"	18.033823
"342261"	279.5621495	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+H+NH4"	19.041099
"732858"	414.5829495	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+H+NH4"	19.041099
"1481213"	144.5413495	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H+NH4"	19.041099
"393937"	563.072418	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+Na"	22.989218
"755538"	833.114018	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+Na"	22.989218
"1606797"	293.030818	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Na"	22.989218
"317928"	282.039847	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+H+Na"	23.996494
"716918"	417.060647	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+H+Na"	23.996494
"1468550"	147.019047	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H+Na"	23.996494
"1059607"	98.3484566666667	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2H+Na"	25.00377
"1263473"	303.075086	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+CH3OH+H"	33.033486
"382048"	579.046358	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+K"	38.963158
"741949"	849.087958	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+K"	38.963158
"1543273"	309.004758	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+K"	38.963158
"301906"	290.026817	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+H+K"	39.970434
"694325"	425.047617	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+H+K"	39.970434
"1448510"	155.006017	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H+K"	39.970434
"238207"	582.117026	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+ACN+H"	42.033826
"1213465"	312.075426	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+ACN+H"	42.033826
"1195644"	156.541351	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+ACN+2H"	43.041102
"192047"	585.05436	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+2Na-H"	44.97116
"634891"	855.09596	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+2Na-H"	44.97116
"1139494"	315.01276	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2Na-H"	44.97116
"180598"	293.030818	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+2Na"	45.978436
"614685"	428.051618	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+2Na"	45.978436
"1126224"	158.010018	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2Na"	45.978436
"1409382"	105.675770666667	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H+2Na"	46.985712
"1440040"	317.054346	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H+HCOOH"	47.012746
"227912"	298.06384	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+3H2O+2H"	56.04448
"1520349"	331.10639	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+IsoProp+H"	61.06479
"416752"	301.017788	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+Na+K"	61.952376
"776655"	436.038588	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+Na+K"	61.952376
"1667517"	165.996988	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Na+K"	61.952376
"253304"	604.098968	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+ACN+Na"	64.015768
"1230390"	334.057368	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+ACN+Na"	64.015768
"1714901"	334.080893	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+NH4+HCOOH"	64.039293
"1179883"	113.003084666667	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+3Na"	68.967654
"1650261"	339.036288	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Na+HCOOH"	68.994688
"166491"	617.00224	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+2K-H"	76.91904
"612383"	887.04384	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+2K-H"	76.91904
"1097620"	346.96064	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2K-H"	76.91904
"155527"	309.004758	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"2M+2K"	77.926316
"594599"	444.025558	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"3M+2K"	77.926316
"1082029"	173.983958	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2K"	77.926316
"1113781"	348.975192	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2K+H"	78.933592
"1343237"	349.062807	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+DMSO+H"	79.021207
"1019312"	353.101976	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2ACN+H"	83.060376
"1535374"	354.095608	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+IsoProp+Na+H"	84.054008
"1002916"	177.054626	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+2ACN+2H"	84.067652
"1602152"	355.010228	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+K+HCOOH"	84.968628
"1427445"	385.041738	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+H+CF3COOH"	115.000138
"1153359"	197.567901	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+3ACN+2H"	125.094202
"1712390"	402.068285	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+NH4+CF3COOH"	132.026685
"1648769"	407.02368	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+Na+CF3COOH"	136.98208
"1585147"	422.99762	"C18380"	"Calcium levulinate anhydrous"	"C10H14CaO6"	"270.0416"	"M+K+CF3COOH"	152.95602
"811139"	293.7715	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M"	0
"983579"	274.75311	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-H2O-H"	-19.01839
"71819"	194.840390666667	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M-3H"	-3.021828
"507006"	292.764224	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M-3H"	-3.021828
"884805"	96.9165573333333	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-3H"	-3.021828
"2292"	292.764224	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M-2H"	-2.014552
"442944"	439.649974	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M-2H"	-2.014552
"820746"	145.878474	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-2H"	-2.014552
"81832"	586.535724	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M-H"	-1.007276
"522488"	880.307224	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M-H"	-1.007276
"904666"	292.764224	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-H"	-1.007276
"52480"	603.562271	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M-2H+NH4"	16.019271
"496419"	897.333771	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M-2H+NH4"	16.019271
"868752"	309.790771	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-2H+NH4"	16.019271
"38839"	608.517666	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M-2H+Na"	20.974666
"482777"	902.289166	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M-2H+Na"	20.974666
"862405"	314.746166	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-2H+Na"	20.974666
"1630114"	314.746166	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Na-2H"	20.974666
"101175"	310.752563	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M-H+Cl"	33.962126
"546575"	457.638313	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M-H+Cl"	33.962126
"941799"	163.866813	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-H+Cl"	33.962126
"282547"	622.512402	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+Cl"	34.969402
"675539"	916.283902	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+Cl"	34.969402
"1288189"	328.740902	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Cl"	34.969402
"30172"	624.491606	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M-2H+K"	36.948606
"470465"	918.263106	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M-2H+K"	36.948606
"847173"	330.720106	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-2H+K"	36.948606
"1570175"	330.720106	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+K-2H"	36.948606
"958180"	338.769694	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-H+HCOOH"	44.998194
"375664"	632.541201	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+HCOOH-H"	44.998201
"360393"	646.556851	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+Hac-H"	59.013851
"1507893"	352.785351	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Hac-H"	59.013851
"971051"	360.751651	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-H+NaCOOH"	66.980151
"124707"	328.740902	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+2Cl"	69.938804
"565492"	475.626652	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+2Cl"	69.938804
"1036925"	181.855152	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2Cl"	69.938804
"1256536"	372.690385	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Br"	78.918885
"1319595"	374.746372	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Cl+HCOOH"	80.974872
"1334658"	396.728329	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Cl+NaCOOH"	102.956829
"926688"	406.757086	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M-H+CF3COOH"	112.985586
"1303636"	442.733764	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Cl+CF3COOH"	148.962264
"1382287"	258.758824	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H-2H2O"	-35.012676
"1397103"	276.7688	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H-H2O"	-17.0027
"296060"	588.550276	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+H"	1.007276
"689209"	882.321776	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+H"	1.007276
"1364829"	294.778776	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H"	1.007276
"139540"	294.778776	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+2H"	2.014552
"575818"	441.664526	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+2H"	2.014552
"1046803"	147.893026	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2H"	2.014552
"218350"	196.854942666667	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+3H"	3.021828
"650255"	294.778776	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+3H"	3.021828
"1174582"	98.9311093333333	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+3H"	3.021828
"431657"	605.576823	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+NH4"	18.033823
"789375"	899.348323	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+NH4"	18.033823
"1682179"	311.805323	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+NH4"	18.033823
"344557"	303.2920495	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+H+NH4"	19.041099
"732968"	450.1777995	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+H+NH4"	19.041099
"1484603"	156.4062995	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H+NH4"	19.041099
"394899"	610.532218	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+Na"	22.989218
"754920"	904.303718	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+Na"	22.989218
"1605814"	316.760718	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Na"	22.989218
"319132"	305.769747	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+H+Na"	23.996494
"717028"	452.655497	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+H+Na"	23.996494
"1471941"	158.883997	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H+Na"	23.996494
"1060811"	106.258423333333	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2H+Na"	25.00377
"1264676"	326.804986	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+CH3OH+H"	33.033486
"385438"	626.506158	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+K"	38.963158
"744246"	920.277658	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+K"	38.963158
"1544113"	332.734658	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+K"	38.963158
"300923"	313.756717	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+H+K"	39.970434
"694071"	460.642467	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+H+K"	39.970434
"1446798"	166.870967	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H+K"	39.970434
"237953"	629.576826	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+ACN+H"	42.033826
"1211752"	335.805326	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+ACN+H"	42.033826
"1194905"	168.406301	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+ACN+2H"	43.041102
"195439"	632.51416	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+2Na-H"	44.97116
"640469"	926.28566	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+2Na-H"	44.97116
"1142884"	338.74266	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2Na-H"	44.97116
"181801"	316.760718	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+2Na"	45.978436
"614186"	463.646468	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+2Na"	45.978436
"1128885"	169.874968	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2Na"	45.978436
"1409856"	113.585737333333	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H+2Na"	46.985712
"1441609"	340.784246	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H+HCOOH"	47.012746
"230938"	321.79374	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+3H2O+2H"	56.04448
"1521553"	354.83629	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+IsoProp+H"	61.06479
"416862"	324.747688	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+Na+K"	61.952376
"774579"	471.633438	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+Na+K"	61.952376
"1668355"	177.861938	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Na+K"	61.952376
"252036"	651.558768	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+ACN+Na"	64.015768
"1226731"	357.787268	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+ACN+Na"	64.015768
"1714039"	357.810793	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+NH4+HCOOH"	64.039293
"1179873"	120.913051333333	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+3Na"	68.967654
"1651226"	362.766188	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Na+HCOOH"	68.994688
"158578"	664.46204	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+2K-H"	76.91904
"600690"	958.23354	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+2K-H"	76.91904
"1087388"	370.69054	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2K-H"	76.91904
"152962"	332.734658	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"2M+2K"	77.926316
"594709"	479.620408	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"3M+2K"	77.926316
"1083599"	185.848908	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2K"	77.926316
"1113524"	372.705092	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2K+H"	78.933592
"1346627"	372.792707	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+DMSO+H"	79.021207
"1018087"	376.831876	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2ACN+H"	83.060376
"1537306"	377.825508	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+IsoProp+Na+H"	84.054008
"1001934"	188.919576	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+2ACN+2H"	84.067652
"1600803"	378.740128	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+K+HCOOH"	84.968628
"1427555"	408.771638	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+H+CF3COOH"	115.000138
"1155655"	209.432851	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+3ACN+2H"	125.094202
"1712300"	425.798185	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+NH4+CF3COOH"	132.026685
"1649243"	430.75358	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+Na+CF3COOH"	136.98208
"1585257"	446.72752	"C18381"	"Calcium iodide"	"CaI2"	"293.7715"	"M+K+CF3COOH"	152.95602
"809062"	315.8933	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M"	0
"979315"	296.87491	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-H2O-H"	-19.01839
"66461"	209.588257333333	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M-3H"	-3.021828
"507116"	314.886024	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M-3H"	-3.021828
"881637"	104.290490666667	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-3H"	-3.021828
"74"	314.886024	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M-2H"	-2.014552
"440051"	472.832674	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M-2H"	-2.014552
"818670"	156.939374	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-2H"	-2.014552
"78725"	630.779324	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M-H"	-1.007276
"522598"	946.672624	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M-H"	-1.007276
"901496"	314.886024	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-H"	-1.007276
"52590"	647.805871	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M-2H+NH4"	16.019271
"489596"	963.699171	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M-2H+NH4"	16.019271
"867403"	331.912571	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-2H+NH4"	16.019271
"35668"	652.761266	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M-2H+Na"	20.974666
"478514"	968.654566	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M-2H+Na"	20.974666
"859599"	336.867966	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-2H+Na"	20.974666
"1628037"	336.867966	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Na-2H"	20.974666
"101285"	332.874363	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M-H+Cl"	33.962126
"547776"	490.821013	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M-H+Cl"	33.962126
"936551"	174.927713	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-H+Cl"	33.962126
"276201"	666.756002	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+Cl"	34.969402
"674839"	982.649302	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+Cl"	34.969402
"1287001"	350.862702	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Cl"	34.969402
"30767"	668.735206	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M-2H+K"	36.948606
"470090"	984.628506	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M-2H+K"	36.948606
"847971"	352.841906	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-2H+K"	36.948606
"1569555"	352.841906	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+K-2H"	36.948606
"957801"	360.891494	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-H+HCOOH"	44.998194
"376255"	676.784801	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+HCOOH-H"	44.998201
"359895"	690.800451	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+Hac-H"	59.013851
"1505446"	374.907151	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Hac-H"	59.013851
"971525"	382.873451	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-H+NaCOOH"	66.980151
"125057"	350.862702	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+2Cl"	69.938804
"565154"	508.809352	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+2Cl"	69.938804
"1036545"	192.916052	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2Cl"	69.938804
"1256893"	394.812185	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Br"	78.918885
"1319701"	396.868172	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Cl+HCOOH"	80.974872
"1334763"	418.850129	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Cl+NaCOOH"	102.956829
"925458"	428.878886	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M-H+CF3COOH"	112.985586
"1301555"	464.855564	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Cl+CF3COOH"	148.962264
"1382272"	280.880624	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H-2H2O"	-35.012676
"1397821"	298.8906	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H-H2O"	-17.0027
"296414"	632.793876	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+H"	1.007276
"686403"	948.687176	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+H"	1.007276
"1362387"	316.900576	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H"	1.007276
"139286"	316.900576	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+2H"	2.014552
"575563"	474.847226	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+2H"	2.014552
"1044727"	158.953926	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2H"	2.014552
"215908"	211.602809333333	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+3H"	3.021828
"648179"	316.900576	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+3H"	3.021828
"1175056"	106.305042666667	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+3H"	3.021828
"433954"	649.820423	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+NH4"	18.033823
"788392"	965.713723	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+NH4"	18.033823
"1681722"	333.927123	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+NH4"	18.033823
"344667"	325.4138495	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+H+NH4"	19.041099
"733078"	483.3604995	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+H+NH4"	19.041099
"1484713"	167.4671995	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H+NH4"	19.041099
"394645"	654.775818	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+Na"	22.989218
"754909"	970.669118	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+Na"	22.989218
"1607017"	338.882518	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Na"	22.989218
"319242"	327.891547	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+H+Na"	23.996494
"716044"	485.838197	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+H+Na"	23.996494
"1467677"	169.944897	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H+Na"	23.996494
"1057641"	113.632356666667	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2H+Na"	25.00377
"1260412"	348.926786	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+CH3OH+H"	33.033486
"381536"	670.749758	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+K"	38.963158
"744355"	986.643058	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+K"	38.963158
"1541304"	354.856458	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+K"	38.963158
"299939"	335.878517	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+H+K"	39.970434
"692720"	493.825167	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+H+K"	39.970434
"1447636"	177.931867	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H+K"	39.970434
"237333"	673.820426	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+ACN+H"	42.033826
"1210768"	357.927126	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+ACN+H"	42.033826
"1195380"	179.467201	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+ACN+2H"	43.041102
"192633"	676.75776	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+2Na-H"	44.97116
"638393"	992.65106	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+2Na-H"	44.97116
"1139714"	360.86446	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2Na-H"	44.97116
"173888"	338.882518	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+2Na"	45.978436
"613082"	496.829168	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+2Na"	45.978436
"1128994"	180.935868	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2Na"	45.978436
"1410330"	120.959670666667	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H+2Na"	46.985712
"1442812"	362.906046	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H+HCOOH"	47.012746
"228132"	343.91554	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+3H2O+2H"	56.04448
"1522027"	376.95809	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+IsoProp+H"	61.06479
"415879"	346.869488	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+Na+K"	61.952376
"774689"	504.816138	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+Na+K"	61.952376
"1668465"	188.922838	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Na+K"	61.952376
"253160"	695.802368	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+ACN+Na"	64.015768
"1226840"	379.909068	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+ACN+Na"	64.015768
"1714028"	379.932593	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+NH4+HCOOH"	64.039293
"1178605"	128.286984666667	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+3Na"	68.967654
"1651094"	384.887988	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Na+HCOOH"	68.994688
"159781"	708.70564	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+2K-H"	76.91904
"600800"	1024.59894	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+2K-H"	76.91904
"1086769"	392.81234	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2K-H"	76.91904
"145409"	354.856458	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"2M+2K"	77.926316
"584969"	512.803108	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"3M+2K"	77.926316
"1083831"	196.909808	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2K"	77.926316
"1113634"	394.826892	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2K+H"	78.933592
"1345644"	394.914507	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+DMSO+H"	79.021207
"1019290"	398.953676	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2ACN+H"	83.060376
"1537417"	399.947308	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+IsoProp+Na+H"	84.054008
"1003136"	199.980476	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+2ACN+2H"	84.067652
"1601642"	400.861928	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+K+HCOOH"	84.968628
"1424385"	430.893438	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+H+CF3COOH"	115.000138
"1155765"	220.493751	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+3ACN+2H"	125.094202
"1712530"	447.919985	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+NH4+CF3COOH"	132.026685
"1648989"	452.87538	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+Na+CF3COOH"	136.98208
"1585367"	468.84932	"C18382"	"Ethylendiamine dihydroiodide;EDDI"	"2HIC2H8N2"	"315.8933"	"M+K+CF3COOH"	152.95602
"801649"	170.043	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M"	0
"976143"	151.02461	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-H2O-H"	-19.01839
"66571"	112.354724	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M-3H"	-3.021828
"503417"	169.035724	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M-3H"	-3.021828
"881751"	55.673724	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-3H"	-3.021828
"440"	169.035724	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M-2H"	-2.014552
"440850"	254.057224	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M-2H"	-2.014552
"819141"	84.014224	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-2H"	-2.014552
"79136"	339.078724	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M-H"	-1.007276
"521614"	509.121724	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M-H"	-1.007276
"907076"	169.035724	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-H"	-1.007276
"53795"	356.105271	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M-2H+NH4"	16.019271
"490078"	526.148271	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M-2H+NH4"	16.019271
"867876"	186.062271	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-2H+NH4"	16.019271
"32502"	361.060666	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M-2H+Na"	20.974666
"473156"	531.103666	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M-2H+Na"	20.974666
"849864"	191.017666	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-2H+Na"	20.974666
"1621586"	191.017666	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Na-2H"	20.974666
"97022"	187.024063	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M-H+Cl"	33.962126
"535486"	272.045563	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M-H+Cl"	33.962126
"927299"	102.002563	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-H+Cl"	33.962126
"282749"	375.055402	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+Cl"	34.969402
"675307"	545.098402	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+Cl"	34.969402
"1288033"	205.012402	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Cl"	34.969402
"29898"	377.034606	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M-2H+K"	36.948606
"470678"	547.077606	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M-2H+K"	36.948606
"846899"	206.991606	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-2H+K"	36.948606
"1570386"	206.991606	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+K-2H"	36.948606
"956811"	215.041194	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-H+HCOOH"	44.998194
"375754"	385.084201	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+HCOOH-H"	44.998201
"357811"	399.099851	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+Hac-H"	59.013851
"1505918"	229.056851	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Hac-H"	59.013851
"973099"	237.023151	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-H+NaCOOH"	66.980151
"124682"	205.012402	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+2Cl"	69.938804
"561932"	290.033902	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+2Cl"	69.938804
"1035349"	119.990902	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2Cl"	69.938804
"1253589"	248.961885	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Br"	78.918885
"1317130"	251.017872	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Cl+HCOOH"	80.974872
"1330616"	272.999829	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Cl+NaCOOH"	102.956829
"923130"	283.028586	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M-H+CF3COOH"	112.985586
"1298745"	319.005264	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Cl+CF3COOH"	148.962264
"1372532"	135.030324	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H-2H2O"	-35.012676
"1387839"	153.0403	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H-H2O"	-17.0027
"288619"	341.093276	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+H"	1.007276
"683227"	511.136276	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+H"	1.007276
"1358484"	171.050276	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H"	1.007276
"131372"	171.050276	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+2H"	2.014552
"567652"	256.071776	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+2H"	2.014552
"1039001"	86.028776	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2H"	2.014552
"205808"	114.369276	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+3H"	3.021828
"653759"	171.050276	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+3H"	3.021828
"1169698"	57.688276	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+3H"	3.021828
"431881"	358.119823	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+NH4"	18.033823
"790689"	528.162823	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+NH4"	18.033823
"1681353"	188.076823	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+NH4"	18.033823
"333111"	179.5635495	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+H+NH4"	19.041099
"729907"	264.5850495	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+H+NH4"	19.041099
"1488101"	94.5420495	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H+NH4"	19.041099
"398032"	363.075218	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+Na"	22.989218
"756841"	533.118218	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+Na"	22.989218
"1606035"	193.032218	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Na"	22.989218
"314614"	182.041247	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+H+Na"	23.996494
"709590"	267.062747	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+H+Na"	23.996494
"1461705"	97.019747	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H+Na"	23.996494
"1052883"	65.01559	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2H+Na"	25.00377
"1259423"	203.076486	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+CH3OH+H"	33.033486
"377385"	379.049158	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+K"	38.963158
"738706"	549.092158	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+K"	38.963158
"1540682"	209.006158	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+K"	38.963158
"298583"	190.028217	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+H+K"	39.970434
"691574"	275.049717	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+H+K"	39.970434
"1445648"	105.006717	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H+K"	39.970434
"236138"	382.119826	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+ACN+H"	42.033826
"1209948"	212.076826	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+ACN+H"	42.033826
"1200604"	106.542051	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+ACN+2H"	43.041102
"194568"	385.05716	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+2Na-H"	44.97116
"638507"	555.10016	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+2Na-H"	44.97116
"1140919"	215.01416	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2Na-H"	44.97116
"175703"	193.032218	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+2Na"	45.978436
"624144"	278.053718	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+2Na"	45.978436
"1127283"	108.010718	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2Na"	45.978436
"1411171"	72.342904	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H+2Na"	46.985712
"1441827"	217.055746	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H+HCOOH"	47.012746
"232616"	198.06524	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+3H2O+2H"	56.04448
"1522137"	231.10779	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+IsoProp+H"	61.06479
"415991"	201.019188	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+Na+K"	61.952376
"774799"	286.040688	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+Na+K"	61.952376
"1666506"	115.997688	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Na+K"	61.952376
"256191"	404.101768	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+ACN+Na"	64.015768
"1229626"	234.058768	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+ACN+Na"	64.015768
"1713773"	234.082293	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+NH4+HCOOH"	64.039293
"1182044"	79.670218	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+3Na"	68.967654
"1653030"	239.037688	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Na+HCOOH"	68.994688
"159530"	417.00504	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+2K-H"	76.91904
"600546"	587.04804	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+2K-H"	76.91904
"1086520"	246.96204	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2K-H"	76.91904
"146615"	209.006158	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"2M+2K"	77.926316
"596757"	294.027658	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"3M+2K"	77.926316
"1084169"	123.984658	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2K"	77.926316
"1115206"	248.976592	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2K+H"	78.933592
"1347591"	249.064207	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+DMSO+H"	79.021207
"1015390"	253.103376	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2ACN+H"	83.060376
"1534608"	254.097008	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+IsoProp+Na+H"	84.054008
"1002150"	127.055326	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+2ACN+2H"	84.067652
"1601023"	255.011628	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+K+HCOOH"	84.968628
"1425589"	285.043138	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+H+CF3COOH"	115.000138
"1160983"	147.568601	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+3ACN+2H"	125.094202
"1711992"	302.069685	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+NH4+CF3COOH"	132.026685
"1647641"	307.02508	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+Na+CF3COOH"	136.98208
"1578918"	322.99902	"C18384"	"Magnesium dipropionate"	"C6H10MgO4"	"170.043"	"M+K+CF3COOH"	152.95602
"802721"	332.0555	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M"	0
"978438"	313.03711	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-H2O-H"	-19.01839
"68867"	220.363057333333	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M-3H"	-3.021828
"505512"	331.048224	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M-3H"	-3.021828
"881861"	109.677890666667	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-3H"	-3.021828
"795"	331.048224	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M-2H"	-2.014552
"441324"	497.075974	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M-2H"	-2.014552
"819980"	165.020474	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-2H"	-2.014552
"79975"	663.103724	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M-H"	-1.007276
"522817"	995.159224	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M-H"	-1.007276
"900626"	331.048224	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-H"	-1.007276
"53905"	680.130271	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M-2H+NH4"	16.019271
"491279"	1012.185771	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M-2H+NH4"	16.019271
"867985"	348.074771	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-2H+NH4"	16.019271
"32733"	685.085666	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M-2H+Na"	20.974666
"471557"	1017.141166	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M-2H+Na"	20.974666
"848513"	353.030166	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-2H+Na"	20.974666
"1621695"	353.030166	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Na-2H"	20.974666
"96039"	349.036563	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M-H+Cl"	33.962126
"534577"	515.064313	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M-H+Cl"	33.962126
"927410"	183.008813	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-H+Cl"	33.962126
"282563"	699.080402	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+Cl"	34.969402
"673226"	1031.135902	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+Cl"	34.969402
"1286723"	367.024902	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Cl"	34.969402
"30009"	701.059606	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M-2H+K"	36.948606
"470542"	1033.115106	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M-2H+K"	36.948606
"847374"	369.004106	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-2H+K"	36.948606
"1570821"	369.004106	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+K-2H"	36.948606
"957529"	377.053694	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-H+HCOOH"	44.998194
"374767"	709.109201	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+HCOOH-H"	44.998201
"357193"	723.124851	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+Hac-H"	59.013851
"1506392"	391.069351	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Hac-H"	59.013851
"971751"	399.035651	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-H+NaCOOH"	66.980151
"124305"	367.024902	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+2Cl"	69.938804
"561676"	533.052652	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+2Cl"	69.938804
"1033758"	200.997152	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2Cl"	69.938804
"1254429"	410.974385	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Br"	78.918885
"1316874"	413.030372	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Cl+HCOOH"	80.974872
"1327810"	435.012329	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Cl+NaCOOH"	102.956829
"923240"	445.041086	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M-H+CF3COOH"	112.985586
"1297762"	481.017764	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Cl+CF3COOH"	148.962264
"1371546"	297.042824	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H-2H2O"	-35.012676
"1385762"	315.0528	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H-H2O"	-17.0027
"290914"	665.118276	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+H"	1.007276
"680056"	997.173776	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+H"	1.007276
"1359687"	333.062776	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H"	1.007276
"133670"	333.062776	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+2H"	2.014552
"569948"	499.090526	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+2H"	2.014552
"1039476"	167.035026	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2H"	2.014552
"207742"	222.377609333333	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+3H"	3.021828
"656058"	333.062776	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+3H"	3.021828
"1169808"	111.692442666667	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+3H"	3.021828
"431991"	682.144823	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+NH4"	18.033823
"792986"	1014.200323	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+NH4"	18.033823
"1681536"	350.089323	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+NH4"	18.033823
"333220"	341.5760495	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+H+NH4"	19.041099
"728924"	507.6037995	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+H+NH4"	19.041099
"1488212"	175.5482995	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H+NH4"	19.041099
"406771"	687.100218	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+Na"	22.989218
"760233"	1019.155718	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+Na"	22.989218
"1611614"	355.044718	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Na"	22.989218
"315822"	344.053747	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+H+Na"	23.996494
"708243"	510.081497	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+H+Na"	23.996494
"1461937"	178.025997	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H+Na"	23.996494
"1053115"	119.019756666667	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2H+Na"	25.00377
"1259534"	365.088986	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+CH3OH+H"	33.033486
"379563"	703.074158	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+K"	38.963158
"740560"	1035.129658	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+K"	38.963158
"1540792"	371.018658	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+K"	38.963158
"298787"	352.040717	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+H+K"	39.970434
"691848"	518.068467	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+H+K"	39.970434
"1445735"	186.012967	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H+K"	39.970434
"235727"	706.144826	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+ACN+H"	42.033826
"1210373"	374.089326	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+ACN+H"	42.033826
"1199621"	187.548301	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+ACN+2H"	43.041102
"194678"	709.08216	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+2Na-H"	44.97116
"633145"	1041.13766	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+2Na-H"	44.97116
"1139932"	377.02666	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2Na-H"	44.97116
"181039"	355.044718	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+2Na"	45.978436
"618413"	521.072468	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+2Na"	45.978436
"1127759"	189.016968	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2Na"	45.978436
"1411646"	126.347070666667	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H+2Na"	46.985712
"1443031"	379.068246	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H+HCOOH"	47.012746
"234187"	360.07774	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+3H2O+2H"	56.04448
"1521883"	393.12029	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+IsoProp+H"	61.06479
"421935"	363.031688	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+Na+K"	61.952376
"778190"	529.059438	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+Na+K"	61.952376
"1668687"	197.003938	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Na+K"	61.952376
"256666"	728.126768	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+ACN+Na"	64.015768
"1230468"	396.071268	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+ACN+Na"	64.015768
"1716436"	396.094793	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+NH4+HCOOH"	64.039293
"1182883"	133.674384666667	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+3Na"	68.967654
"1654233"	401.050188	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Na+HCOOH"	68.994688
"161827"	741.03004	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+2K-H"	76.91904
"602115"	1073.08554	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+2K-H"	76.91904
"1086990"	408.97454	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2K-H"	76.91904
"144170"	371.018658	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"2M+2K"	77.926316
"596017"	537.046408	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"3M+2K"	77.926316
"1084013"	204.990908	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2K"	77.926316
"1114586"	410.989092	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2K+H"	78.933592
"1348064"	411.076707	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+DMSO+H"	79.021207
"1016592"	415.115876	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2ACN+H"	83.060376
"1536904"	416.109508	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+IsoProp+Na+H"	84.054008
"1004082"	208.061576	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+2ACN+2H"	84.067652
"1600769"	417.024128	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+K+HCOOH"	84.968628
"1425699"	447.055638	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+H+CF3COOH"	115.000138
"1161457"	228.574851	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+3ACN+2H"	125.094202
"1711008"	464.082185	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+NH4+CF3COOH"	132.026685
"1647751"	469.03758	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+Na+CF3COOH"	136.98208
"1579028"	485.01152	"C18386"	"Sulfadimethoxine sodium"	"C12H13N4O4SNa"	"332.0555"	"M+K+CF3COOH"	152.95602
"809391"	327.0347	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M"	0
"979643"	308.01631	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-H2O-H"	-19.01839
"67885"	217.015857333333	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M-3H"	-3.021828
"505988"	326.027424	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M-3H"	-3.021828
"883065"	108.004290666667	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-3H"	-3.021828
"3821"	326.027424	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M-2H"	-2.014552
"443382"	489.544774	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M-2H"	-2.014552
"821184"	162.510074	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-2H"	-2.014552
"81178"	653.062124	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M-H"	-1.007276
"520376"	980.096824	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M-H"	-1.007276
"900736"	326.027424	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-H"	-1.007276
"54015"	670.088671	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M-2H+NH4"	16.019271
"488838"	997.123371	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M-2H+NH4"	16.019271
"867002"	343.053971	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-2H+NH4"	16.019271
"33085"	675.044066	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M-2H+Na"	20.974666
"476657"	1002.078766	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M-2H+Na"	20.974666
"848786"	348.009366	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-2H+Na"	20.974666
"1625085"	348.009366	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Na-2H"	20.974666
"104899"	344.015763	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M-H+Cl"	33.962126
"541179"	507.533113	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M-H+Cl"	33.962126
"931413"	180.498413	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-H+Cl"	33.962126
"282014"	689.038802	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+Cl"	34.969402
"674677"	1016.073502	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+Cl"	34.969402
"1287567"	362.004102	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Cl"	34.969402
"30245"	691.018006	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M-2H+K"	36.948606
"470654"	1018.052706	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M-2H+K"	36.948606
"846753"	363.983306	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-2H+K"	36.948606
"1565867"	363.983306	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+K-2H"	36.948606
"955935"	372.032894	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-H+HCOOH"	44.998194
"374884"	699.067601	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+HCOOH-H"	44.998201
"354751"	713.083251	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+Hac-H"	59.013851
"1505771"	386.048551	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Hac-H"	59.013851
"971135"	394.014851	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-H+NaCOOH"	66.980151
"122229"	362.004102	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+2Cl"	69.938804
"561789"	525.521452	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+2Cl"	69.938804
"1030587"	198.486752	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2Cl"	69.938804
"1250167"	405.953585	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Br"	78.918885
"1314799"	408.009572	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Cl+HCOOH"	80.974872
"1331202"	429.991529	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Cl+NaCOOH"	102.956829
"922259"	440.020286	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M-H+CF3COOH"	112.985586
"1298966"	475.996964	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Cl+CF3COOH"	148.962264
"1380043"	292.022024	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H-2H2O"	-35.012676
"1393529"	310.032	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H-H2O"	-17.0027
"294306"	655.076676	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+H"	1.007276
"686364"	982.111376	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+H"	1.007276
"1360525"	328.041976	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H"	1.007276
"135965"	328.041976	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+2H"	2.014552
"575163"	491.559326	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+2H"	2.014552
"1042502"	164.524626	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2H"	2.014552
"210039"	219.030409333333	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+3H"	3.021828
"658842"	328.041976	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+3H"	3.021828
"1173198"	110.018842666667	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+3H"	3.021828
"435382"	672.103223	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+NH4"	18.033823
"790909"	999.137923	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+NH4"	18.033823
"1681566"	345.068523	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+NH4"	18.033823
"331020"	336.5552495	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+H+NH4"	19.041099
"731950"	500.0725995	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+H+NH4"	19.041099
"1491483"	173.0378995	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H+NH4"	19.041099
"407366"	677.058618	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+Na"	22.989218
"767633"	1004.093318	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+Na"	22.989218
"1618166"	350.023918	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Na"	22.989218
"319580"	339.032947	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+H+Na"	23.996494
"713092"	502.550297	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+H+Na"	23.996494
"1468005"	175.515597	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H+Na"	23.996494
"1060156"	117.346156666667	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2H+Na"	25.00377
"1261833"	360.068186	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+CH3OH+H"	33.033486
"382594"	693.032558	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+K"	38.963158
"741403"	1020.067258	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+K"	38.963158
"1541270"	365.997858	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+K"	38.963158
"302820"	347.019917	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+H+K"	39.970434
"696338"	510.537267	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+H+K"	39.970434
"1448332"	183.502567	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H+K"	39.970434
"236567"	696.103226	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+ACN+H"	42.033826
"1210854"	369.068526	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+ACN+H"	42.033826
"1203012"	185.037901	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+ACN+2H"	43.041102
"194788"	699.04056	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+2Na-H"	44.97116
"637629"	1026.07526	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+2Na-H"	44.97116
"1140042"	372.00586	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2Na-H"	44.97116
"178963"	350.023918	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+2Na"	45.978436
"616337"	513.541268	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+2Na"	45.978436
"1118021"	186.506568	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2Na"	45.978436
"1403367"	124.673470666667	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H+2Na"	46.985712
"1438765"	374.047446	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H+HCOOH"	47.012746
"233815"	355.05694	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+3H2O+2H"	56.04448
"1521994"	388.09949	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+IsoProp+H"	61.06479
"422046"	358.010888	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+Na+K"	61.952376
"779394"	521.528238	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+Na+K"	61.952376
"1668069"	194.493538	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Na+K"	61.952376
"258963"	718.085168	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+ACN+Na"	64.015768
"1230578"	391.050468	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+ACN+Na"	64.015768
"1717277"	391.073993	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+NH4+HCOOH"	64.039293
"1181900"	132.000784666667	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+3Na"	68.967654
"1652525"	396.029388	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Na+HCOOH"	68.994688
"157924"	730.98844	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+2K-H"	76.91904
"599671"	1058.02314	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+2K-H"	76.91904
"1087830"	403.95374	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2K-H"	76.91904
"145741"	365.997858	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"2M+2K"	77.926316
"596731"	529.515208	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"3M+2K"	77.926316
"1084037"	202.480508	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2K"	77.926316
"1113965"	405.968292	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2K+H"	78.933592
"1345622"	406.055907	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+DMSO+H"	79.021207
"1013421"	410.095076	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2ACN+H"	83.060376
"1535922"	411.088708	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+IsoProp+Na+H"	84.054008
"1001642"	205.551176	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+2ACN+2H"	84.067652
"1600151"	412.003328	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+K+HCOOH"	84.968628
"1425810"	442.034838	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+H+CF3COOH"	115.000138
"1160475"	226.064451	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+3ACN+2H"	125.094202
"1711118"	459.061385	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+NH4+CF3COOH"	132.026685
"1644581"	464.01678	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+Na+CF3COOH"	136.98208
"1579138"	479.99072	"C18387"	"Sulfamoyldapsone"	"C12H13N3O4S2"	"327.0347"	"M+K+CF3COOH"	152.95602
"801534"	281.1389	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M"	0
"975013"	262.12051	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-H2O-H"	-19.01839
"66901"	186.418657333333	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M-3H"	-3.021828
"509742"	280.131624	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M-3H"	-3.021828
"886449"	92.7056906666667	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-3H"	-3.021828
"6117"	280.131624	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M-2H"	-2.014552
"445679"	420.701074	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M-2H"	-2.014552
"824573"	139.562174	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-2H"	-2.014552
"79832"	561.270524	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M-H"	-1.007276
"520486"	842.409424	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M-H"	-1.007276
"900846"	280.131624	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-H"	-1.007276
"53032"	578.297071	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M-2H+NH4"	16.019271
"491498"	859.435971	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M-2H+NH4"	16.019271
"868205"	297.158171	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-2H+NH4"	16.019271
"32706"	583.252466	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M-2H+Na"	20.974666
"472143"	864.391366	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M-2H+Na"	20.974666
"849460"	302.113566	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-2H+Na"	20.974666
"1620451"	302.113566	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Na-2H"	20.974666
"101729"	298.119963	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M-H+Cl"	33.962126
"541289"	438.689413	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M-H+Cl"	33.962126
"934802"	157.550513	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-H+Cl"	33.962126
"282414"	597.247202	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+Cl"	34.969402
"675278"	878.386102	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+Cl"	34.969402
"1287191"	316.108302	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Cl"	34.969402
"30597"	599.226406	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M-2H+K"	36.948606
"470883"	880.365306	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M-2H+K"	36.948606
"847227"	318.087506	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-2H+K"	36.948606
"1567799"	318.087506	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+K-2H"	36.948606
"954223"	326.137094	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-H+HCOOH"	44.998194
"375721"	607.276001	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+HCOOH-H"	44.998201
"355226"	621.291651	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+Hac-H"	59.013851
"1505882"	340.152751	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Hac-H"	59.013851
"971608"	348.119051	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-H+NaCOOH"	66.980151
"123431"	316.108302	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+2Cl"	69.938804
"561899"	456.677752	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+2Cl"	69.938804
"1031790"	175.538852	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2Cl"	69.938804
"1253555"	360.057785	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Br"	78.918885
"1314909"	362.113772	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Cl+HCOOH"	80.974872
"1332770"	384.095729	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Cl+NaCOOH"	102.956829
"926015"	394.124486	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M-H+CF3COOH"	112.985586
"1301265"	430.101164	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Cl+CF3COOH"	148.962264
"1376143"	246.126224	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H-2H2O"	-35.012676
"1394734"	264.1362	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H-H2O"	-17.0027
"295147"	563.285076	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+H"	1.007276
"684286"	844.423976	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+H"	1.007276
"1357719"	282.146176	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H"	1.007276
"132794"	282.146176	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+2H"	2.014552
"576002"	422.715626	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+2H"	2.014552
"1040426"	141.576726	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2H"	2.014552
"210149"	188.433209333333	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+3H"	3.021828
"657006"	282.146176	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+3H"	3.021828
"1170029"	94.7202426666667	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+3H"	3.021828
"432210"	580.311623	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+NH4"	18.033823
"791019"	861.450523	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+NH4"	18.033823
"1682607"	299.172723	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+NH4"	18.033823
"331981"	290.6594495	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+H+NH4"	19.041099
"732424"	431.2288995	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+H+NH4"	19.041099
"1489525"	150.0899995	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H+NH4"	19.041099
"402736"	585.267018	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+Na"	22.989218
"759359"	866.405918	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+Na"	22.989218
"1618393"	304.128118	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Na"	22.989218
"320783"	293.137147	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+H+Na"	23.996494
"713203"	433.706597	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+H+Na"	23.996494
"1468115"	152.567697	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H+Na"	23.996494
"1060266"	102.047556666667	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2H+Na"	25.00377
"1265224"	314.172386	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+CH3OH+H"	33.033486
"383798"	601.240958	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+K"	38.963158
"743699"	882.379858	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+K"	38.963158
"1542473"	320.102058	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+K"	38.963158
"304387"	301.124117	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+H+K"	39.970434
"697541"	441.693567	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+H+K"	39.970434
"1448442"	160.554667	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H+K"	39.970434
"238500"	604.311626	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+ACN+H"	42.033826
"1213032"	323.172726	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+ACN+H"	42.033826
"1204215"	162.090001	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+ACN+2H"	43.041102
"198179"	607.24896	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+2Na-H"	44.97116
"639562"	888.38786	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+2Na-H"	44.97116
"1142339"	326.11006	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2Na-H"	44.97116
"181259"	304.128118	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+2Na"	45.978436
"614624"	444.697568	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+2Na"	45.978436
"1118131"	163.558668	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2Na"	45.978436
"1406757"	109.374870666667	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H+2Na"	46.985712
"1438875"	328.151646	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H+HCOOH"	47.012746
"234044"	309.16114	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+3H2O+2H"	56.04448
"1521740"	342.20369	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+IsoProp+H"	61.06479
"420699"	312.115088	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+Na+K"	61.952376
"778410"	452.684538	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+Na+K"	61.952376
"1671459"	171.545638	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Na+K"	61.952376
"259073"	626.293568	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+ACN+Na"	64.015768
"1230688"	345.154668	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+ACN+Na"	64.015768
"1715200"	345.178193	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+NH4+HCOOH"	64.039293
"1180553"	116.702184666667	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+3Na"	68.967654
"1652634"	350.133588	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Na+HCOOH"	68.994688
"160589"	639.19684	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+2K-H"	76.91904
"599053"	920.33574	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+2K-H"	76.91904
"1087208"	358.05794	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2K-H"	76.91904
"146942"	320.102058	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"2M+2K"	77.926316
"596479"	460.671508	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"3M+2K"	77.926316
"1083298"	179.532608	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2K"	77.926316
"1114926"	360.072492	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2K+H"	78.933592
"1346462"	360.160107	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+DMSO+H"	79.021207
"1014625"	364.199276	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2ACN+H"	83.060376
"1536761"	365.192908	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+IsoProp+Na+H"	84.054008
"1002479"	182.603276	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+2ACN+2H"	84.067652
"1601353"	366.107528	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+K+HCOOH"	84.968628
"1425553"	396.139038	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+H+CF3COOH"	115.000138
"1159492"	203.116551	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+3ACN+2H"	125.094202
"1712447"	413.165585	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+NH4+CF3COOH"	132.026685
"1644691"	418.12098	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+Na+CF3COOH"	136.98208
"1579248"	434.09492	"C18388"	"Diminazene"	"C14H15N7"	"281.1389"	"M+K+CF3COOH"	152.95602
"803051"	426.1288	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M"	0
"980957"	407.11041	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-H2O-H"	-19.01839
"70292"	283.078590666667	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M-3H"	-3.021828
"517142"	425.121524	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M-3H"	-3.021828
"888746"	141.035657333333	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-3H"	-3.021828
"6228"	425.121524	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M-2H"	-2.014552
"442510"	638.185924	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M-2H"	-2.014552
"820676"	212.057124	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-2H"	-2.014552
"80547"	851.250324	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M-H"	-1.007276
"519865"	1277.379124	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M-H"	-1.007276
"900956"	425.121524	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-H"	-1.007276
"54235"	868.276871	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M-2H+NH4"	16.019271
"494889"	1294.405671	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M-2H+NH4"	16.019271
"868680"	442.148071	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-2H+NH4"	16.019271
"37313"	873.232266	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M-2H+Na"	20.974666
"473593"	1299.361066	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M-2H+Na"	20.974666
"849936"	447.103466	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-2H+Na"	20.974666
"1620320"	447.103466	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Na-2H"	20.974666
"102933"	443.109863	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M-H+Cl"	33.962126
"542492"	656.174263	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M-H+Cl"	33.962126
"934912"	230.045463	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-H+Cl"	33.962126
"282438"	887.227002	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+Cl"	34.969402
"675137"	1313.355802	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+Cl"	34.969402
"1287663"	461.098202	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Cl"	34.969402
"28516"	889.206206	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M-2H+K"	36.948606
"468077"	1315.335006	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M-2H+K"	36.948606
"846973"	463.077406	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-2H+K"	36.948606
"1563901"	463.077406	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+K-2H"	36.948606
"953969"	471.126994	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-H+HCOOH"	44.998194
"375830"	897.255801	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+HCOOH-H"	44.998201
"356065"	911.271451	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+Hac-H"	59.013851
"1506357"	485.142651	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Hac-H"	59.013851
"970258"	493.108951	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-H+NaCOOH"	66.980151
"119168"	461.098202	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+2Cl"	69.938804
"558728"	674.162602	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+2Cl"	69.938804
"1028622"	248.033802	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2Cl"	69.938804
"1251479"	505.047685	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Br"	78.918885
"1316115"	507.103672	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Cl+HCOOH"	80.974872
"1333245"	529.085629	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Cl+NaCOOH"	102.956829
"925397"	539.114386	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M-H+CF3COOH"	112.985586
"1303202"	575.091064	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Cl+CF3COOH"	148.962264
"1379900"	391.116124	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H-2H2O"	-35.012676
"1397397"	409.1261	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H-H2O"	-17.0027
"294529"	853.264876	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+H"	1.007276
"682573"	1279.393676	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+H"	1.007276
"1356370"	427.136076	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H"	1.007276
"127070"	427.136076	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+2H"	2.014552
"576112"	640.200476	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+2H"	2.014552
"1039079"	214.071676	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2H"	2.014552
"206125"	285.093142666667	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+3H"	3.021828
"657116"	427.136076	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+3H"	3.021828
"1176335"	143.050209333333	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+3H"	3.021828
"434507"	870.291423	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+NH4"	18.033823
"791129"	1296.420223	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+NH4"	18.033823
"1682841"	444.162623	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+NH4"	18.033823
"330874"	435.6493495	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+H+NH4"	19.041099
"732534"	648.7137495	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+H+NH4"	19.041099
"1489271"	222.5849495	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H+NH4"	19.041099
"402845"	875.246818	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+Na"	22.989218
"763841"	1301.375618	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+Na"	22.989218
"1618299"	449.118018	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Na"	22.989218
"323081"	438.127047	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+H+Na"	23.996494
"713314"	651.191447	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+H+Na"	23.996494
"1471506"	225.062647	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H+Na"	23.996494
"1063656"	150.377523333333	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2H+Na"	25.00377
"1266427"	459.162286	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+CH3OH+H"	33.033486
"386094"	891.220758	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+K"	38.963158
"743080"	1317.349558	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+K"	38.963158
"1544770"	465.091958	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+K"	38.963158
"301581"	446.114017	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+H+K"	39.970434
"700930"	659.178417	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+H+K"	39.970434
"1450375"	233.049617	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H+K"	39.970434
"236790"	894.291426	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+ACN+H"	42.033826
"1211320"	468.162626	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+ACN+H"	42.033826
"1206512"	234.584951	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+ACN+2H"	43.041102
"200840"	897.22876	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+2Na-H"	44.97116
"640035"	1323.35756	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+2Na-H"	44.97116
"1140262"	471.09996	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2Na-H"	44.97116
"183556"	449.118018	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+2Na"	45.978436
"620930"	662.182418	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+2Na"	45.978436
"1125531"	236.053618	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2Na"	45.978436
"1409054"	157.704837333333	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H+2Na"	46.985712
"1438985"	473.141546	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H+HCOOH"	47.012746
"227585"	454.15104	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+3H2O+2H"	56.04448
"1523188"	487.19359	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+IsoProp+H"	61.06479
"423120"	457.104988	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+Na+K"	61.952376
"780707"	670.169388	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+Na+K"	61.952376
"1673756"	244.040588	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Na+K"	61.952376
"254808"	916.273368	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+ACN+Na"	64.015768
"1230798"	490.144568	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+ACN+Na"	64.015768
"1719684"	490.168093	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+NH4+HCOOH"	64.039293
"1183943"	165.032151333333	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+3Na"	68.967654
"1653839"	495.123488	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Na+HCOOH"	68.994688
"165074"	929.17664	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+2K-H"	76.91904
"601350"	1355.30544	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+2K-H"	76.91904
"1086954"	503.04784	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2K-H"	76.91904
"145959"	465.091958	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"2M+2K"	77.926316
"595859"	678.156358	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"3M+2K"	77.926316
"1082436"	252.027558	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2K"	77.926316
"1114794"	505.062392	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2K+H"	78.933592
"1346936"	505.150007	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+DMSO+H"	79.021207
"1017288"	509.189176	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2ACN+H"	83.060376
"1536143"	510.182808	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+IsoProp+Na+H"	84.054008
"1001495"	255.098226	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+2ACN+2H"	84.067652
"1598183"	511.097428	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+K+HCOOH"	84.968628
"1423841"	541.128938	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+H+CF3COOH"	115.000138
"1161424"	275.611501	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+3ACN+2H"	125.094202
"1712434"	558.155485	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+NH4+CF3COOH"	132.026685
"1646988"	563.11088	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+Na+CF3COOH"	136.98208
"1579358"	579.08482	"C18389"	"Nicarbazin"	"C13H10N4O5C6H8N2O"	"426.1288"	"M+K+CF3COOH"	152.95602
"803161"	1118.6515	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M"	0
"981067"	1099.63311	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-H2O-H"	-19.01839
"72590"	744.760390666667	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M-3H"	-3.021828
"512149"	1117.644224	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M-3H"	-3.021828
"887763"	371.876557333333	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-3H"	-3.021828
"4151"	1117.644224	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M-2H"	-2.014552
"444806"	1676.969974	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M-2H"	-2.014552
"819328"	558.318474	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-2H"	-2.014552
"78578"	2236.295724	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M-H"	-1.007276
"518538"	3354.947224	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M-H"	-1.007276
"904347"	1117.644224	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-H"	-1.007276
"59813"	2253.322271	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M-2H+NH4"	16.019271
"493906"	3371.973771	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M-2H+NH4"	16.019271
"867697"	1134.670771	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-2H+NH4"	16.019271
"37423"	2258.277666	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M-2H+Na"	20.974666
"473338"	3376.929166	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M-2H+Na"	20.974666
"850774"	1139.626166	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-2H+Na"	20.974666
"1619944"	1139.626166	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Na-2H"	20.974666
"105230"	1135.632563	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M-H+Cl"	33.962126
"543696"	1694.958313	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M-H+Cl"	33.962126
"932836"	576.306813	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-H+Cl"	33.962126
"282809"	2272.272402	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+Cl"	34.969402
"674517"	3390.923902	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+Cl"	34.969402
"1288289"	1153.620902	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Cl"	34.969402
"31416"	2274.251606	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M-2H+K"	36.948606
"469281"	3392.903106	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M-2H+K"	36.948606
"846719"	1155.600106	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-2H+K"	36.948606
"1568382"	1155.600106	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+K-2H"	36.948606
"955900"	1163.649694	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-H+HCOOH"	44.998194
"376469"	2282.301201	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+HCOOH-H"	44.998201
"358362"	2296.316851	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+Hac-H"	59.013851
"1507561"	1177.665351	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Hac-H"	59.013851
"971097"	1185.631651	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-H+NaCOOH"	66.980151
"123652"	1153.620902	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+2Cl"	69.938804
"561390"	1712.946652	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+2Cl"	69.938804
"1027639"	594.295152	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2Cl"	69.938804
"1250496"	1197.570385	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Br"	78.918885
"1316954"	1199.626372	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Cl+HCOOH"	80.974872
"1332992"	1221.608329	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Cl+NaCOOH"	102.956829
"927013"	1231.637086	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M-H+CF3COOH"	112.985586
"1304040"	1267.613764	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Cl+CF3COOH"	148.962264
"1381834"	1083.638824	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H-2H2O"	-35.012676
"1398359"	1101.6488	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H-H2O"	-17.0027
"293181"	2238.310276	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+H"	1.007276
"682683"	3356.961776	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+H"	1.007276
"1356116"	1119.658776	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H"	1.007276
"128273"	1119.658776	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+2H"	2.014552
"574036"	1678.984526	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+2H"	2.014552
"1039553"	560.333026	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2H"	2.014552
"207451"	746.774942666667	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+3H"	3.021828
"657226"	1119.658776	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+3H"	3.021828
"1175716"	373.891109333333	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+3H"	3.021828
"436077"	2255.336823	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+NH4"	18.033823
"791239"	3373.988323	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+NH4"	18.033823
"1681734"	1136.685323	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+NH4"	18.033823
"330255"	1128.1720495	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+H+NH4"	19.041099
"733737"	1687.4977995	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+H+NH4"	19.041099
"1485370"	568.8462995	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H+NH4"	19.041099
"401862"	2260.292218	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+Na"	22.989218
"760672"	3378.943718	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+Na"	22.989218
"1617886"	1141.640718	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Na"	22.989218
"323191"	1130.649747	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+H+Na"	23.996494
"714517"	1689.975497	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+H+Na"	23.996494
"1470522"	571.323997	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H+Na"	23.996494
"1063766"	381.218423333333	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2H+Na"	25.00377
"1265444"	1151.684986	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+CH3OH+H"	33.033486
"381831"	2276.266158	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+K"	38.963158
"739907"	3394.917658	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+K"	38.963158
"1543421"	1157.614658	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+K"	38.963158
"300963"	1138.636717	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+H+K"	39.970434
"703227"	1697.962467	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+H+K"	39.970434
"1449392"	579.310967	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H+K"	39.970434
"236169"	2279.336826	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+ACN+H"	42.033826
"1212890"	1160.685326	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+ACN+H"	42.033826
"1204435"	580.846301	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+ACN+2H"	43.041102
"196211"	2282.27416	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+2Na-H"	44.97116
"635772"	3400.92566	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+2Na-H"	44.97116
"1140372"	1163.62266	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2Na-H"	44.97116
"183666"	1141.640718	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+2Na"	45.978436
"619947"	1700.966468	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+2Na"	45.978436
"1122361"	582.314968	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2Na"	45.978436
"1410257"	388.545737333333	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H+2Na"	46.985712
"1439095"	1165.664246	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H+HCOOH"	47.012746
"230975"	1146.67374	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+3H2O+2H"	56.04448
"1521596"	1179.71629	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+IsoProp+H"	61.06479
"422743"	1149.627688	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+Na+K"	61.952376
"783369"	1708.953438	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+Na+K"	61.952376
"1671679"	590.301938	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Na+K"	61.952376
"254918"	2301.318768	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+ACN+Na"	64.015768
"1230908"	1182.667268	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+ACN+Na"	64.015768
"1718698"	1182.690793	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+NH4+HCOOH"	64.039293
"1183684"	395.873051333333	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+3Na"	68.967654
"1656136"	1187.646188	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Na+HCOOH"	68.994688
"165184"	2314.22204	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+2K-H"	76.91904
"599273"	3432.87354	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+2K-H"	76.91904
"1086332"	1195.57054	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2K-H"	76.91904
"144246"	1157.614658	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"2M+2K"	77.926316
"596415"	1716.940408	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"3M+2K"	77.926316
"1082179"	598.288908	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2K"	77.926316
"1114782"	1197.585092	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2K+H"	78.933592
"1347408"	1197.672707	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+DMSO+H"	79.021207
"1018127"	1201.711876	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2ACN+H"	83.060376
"1536252"	1202.705508	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+IsoProp+Na+H"	84.054008
"1002698"	601.359576	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+2ACN+2H"	84.067652
"1598294"	1203.620128	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+K+HCOOH"	84.968628
"1423951"	1233.651638	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+H+CF3COOH"	115.000138
"1160805"	621.872851	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+3ACN+2H"	125.094202
"1712709"	1250.678185	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+NH4+CF3COOH"	132.026685
"1646005"	1255.63358	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+Na+CF3COOH"	136.98208
"1579468"	1271.60752	"C18390"	"Emodepside"	"C60H90N6O14"	"1118.6515"	"M+K+CF3COOH"	152.95602
"801442"	518.0347	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M"	0
"976803"	499.01631	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-H2O-H"	-19.01839
"70514"	344.349190666667	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M-3H"	-3.021828
"510072"	517.027424	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M-3H"	-3.021828
"887873"	171.670957333333	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-3H"	-3.021828
"2439"	517.027424	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M-2H"	-2.014552
"444916"	776.044774	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M-2H"	-2.014552
"817978"	258.010074	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-2H"	-2.014552
"78941"	1035.062124	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M-H"	-1.007276
"518597"	1553.096824	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M-H"	-1.007276
"904457"	517.027424	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-H"	-1.007276
"60895"	1052.088671	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M-2H+NH4"	16.019271
"496202"	1570.123371	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M-2H+NH4"	16.019271
"866713"	534.053971	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-2H+NH4"	16.019271
"37533"	1057.044066	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M-2H+Na"	20.974666
"473083"	1575.078766	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M-2H+Na"	20.974666
"849181"	539.009366	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-2H+Na"	20.974666
"1620054"	539.009366	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Na-2H"	20.974666
"103152"	535.015763	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M-H+Cl"	33.962126
"543442"	794.033113	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M-H+Cl"	33.962126
"932946"	275.998413	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-H+Cl"	33.962126
"282085"	1071.038802	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+Cl"	34.969402
"673776"	1589.073502	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+Cl"	34.969402
"1287884"	553.004102	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Cl"	34.969402
"30558"	1073.018006	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M-2H+K"	36.948606
"471094"	1591.052706	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M-2H+K"	36.948606
"848366"	554.983306	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-2H+K"	36.948606
"1568486"	554.983306	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+K-2H"	36.948606
"956376"	563.032894	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-H+HCOOH"	44.998194
"374954"	1081.067601	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+HCOOH-H"	44.998201
"355556"	1095.083251	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+Hac-H"	59.013851
"1506576"	577.048551	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Hac-H"	59.013851
"971209"	585.014851	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-H+NaCOOH"	66.980151
"123031"	553.004102	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+2Cl"	69.938804
"560041"	812.021452	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+2Cl"	69.938804
"1027749"	293.986752	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2Cl"	69.938804
"1248418"	596.953585	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Br"	78.918885
"1316334"	599.009572	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Cl+HCOOH"	80.974872
"1331642"	620.991529	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Cl+NaCOOH"	102.956829
"926590"	631.020286	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M-H+CF3COOH"	112.985586
"1303420"	666.996964	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Cl+CF3COOH"	148.962264
"1380484"	483.022024	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H-2H2O"	-35.012676
"1390690"	501.032	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H-H2O"	-17.0027
"293291"	1037.076676	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+H"	1.007276
"682793"	1555.111376	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+H"	1.007276
"1354769"	519.041976	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H"	1.007276
"126561"	519.041976	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+2H"	2.014552
"571594"	778.059326	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+2H"	2.014552
"1039663"	260.024626	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2H"	2.014552
"205006"	346.363742666667	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+3H"	3.021828
"653325"	519.041976	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+3H"	3.021828
"1172546"	173.685509333333	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+3H"	3.021828
"435822"	1054.103223	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+NH4"	18.033823
"791349"	1572.137923	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+NH4"	18.033823
"1681297"	536.068523	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+NH4"	18.033823
"330092"	527.5552495	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+H+NH4"	19.041099
"733847"	786.5725995	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+H+NH4"	19.041099
"1485480"	268.5378995	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H+NH4"	19.041099
"405252"	1059.058618	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+Na"	22.989218
"760782"	1577.093318	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+Na"	22.989218
"1617999"	541.023918	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Na"	22.989218
"329250"	530.032947	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+H+Na"	23.996494
"721185"	789.050297	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+H+Na"	23.996494
"1473912"	271.015597	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H+Na"	23.996494
"1059866"	181.012823333333	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2H+Na"	25.00377
"1264460"	551.068186	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+CH3OH+H"	33.033486
"386315"	1075.032558	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+K"	38.963158
"744394"	1593.067258	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+K"	38.963158
"1543896"	556.997858	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+K"	38.963158
"301073"	538.019917	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+H+K"	39.970434
"702973"	797.037267	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+H+K"	39.970434
"1449502"	279.002567	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H+K"	39.970434
"235909"	1078.103226	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+ACN+H"	42.033826
"1213000"	560.068526	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+ACN+H"	42.033826
"1201265"	280.537901	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+ACN+2H"	43.041102
"194135"	1081.04056	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+2Na-H"	44.97116
"636976"	1599.07526	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+2Na-H"	44.97116
"1140483"	563.00586	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2Na-H"	44.97116
"183776"	541.023918	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+2Na"	45.978436
"620785"	800.041268	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+2Na"	45.978436
"1122834"	282.006568	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2Na"	45.978436
"1407451"	188.340137333333	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H+2Na"	46.985712
"1439205"	565.047446	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H+HCOOH"	47.012746
"227805"	546.05694	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+3H2O+2H"	56.04448
"1515867"	579.09949	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+IsoProp+H"	61.06479
"414460"	549.010888	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+Na+K"	61.952376
"783480"	808.028238	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+Na+K"	61.952376
"1675070"	289.993538	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Na+K"	61.952376
"255028"	1100.085168	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+ACN+Na"	64.015768
"1232111"	582.050468	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+ACN+Na"	64.015768
"1717717"	582.073993	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+NH4+HCOOH"	64.039293
"1181976"	195.667451333333	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+3Na"	68.967654
"1656246"	587.029388	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Na+HCOOH"	68.994688
"165294"	1112.98844	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+2K-H"	76.91904
"600111"	1631.02314	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+2K-H"	76.91904
"1086078"	594.95374	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2K-H"	76.91904
"144356"	556.997858	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"2M+2K"	77.926316
"596929"	816.015208	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"3M+2K"	77.926316
"1082289"	297.980508	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2K"	77.926316
"1111122"	596.968292	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2K+H"	78.933592
"1348127"	597.055907	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+DMSO+H"	79.021207
"1016049"	601.095076	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2ACN+H"	83.060376
"1537092"	602.088708	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+IsoProp+Na+H"	84.054008
"1003537"	301.051176	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+2ACN+2H"	84.067652
"1599497"	603.003328	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+K+HCOOH"	84.968628
"1422967"	633.034838	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+H+CF3COOH"	115.000138
"1162008"	321.564451	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+3ACN+2H"	125.094202
"1712674"	650.061385	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+NH4+CF3COOH"	132.026685
"1646115"	655.01678	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+Na+CF3COOH"	136.98208
"1579578"	670.99072	"C18391"	"Dithiazanine iodide"	"C23H23N2S2I"	"518.0347"	"M+K+CF3COOH"	152.95602
"801834"	577.6765	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M"	0
"976913"	558.65811	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-H2O-H"	-19.01839
"70624"	384.110390666667	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M-3H"	-3.021828
"507995"	576.669224	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M-3H"	-3.021828
"887983"	191.551557333333	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-3H"	-3.021828
"3278"	576.669224	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M-2H"	-2.014552
"445026"	865.507474	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M-2H"	-2.014552
"818209"	287.830974	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-2H"	-2.014552
"78934"	1154.345724	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M-H"	-1.007276
"518979"	1732.022224	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M-H"	-1.007276
"904567"	576.669224	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-H"	-1.007276
"58941"	1171.372271	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M-2H+NH4"	16.019271
"493032"	1749.048771	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M-2H+NH4"	16.019271
"865487"	593.695771	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-2H+NH4"	16.019271
"36550"	1176.327666	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M-2H+Na"	20.974666
"472831"	1754.004166	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M-2H+Na"	20.974666
"848679"	598.651166	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-2H+Na"	20.974666
"1621259"	598.651166	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Na-2H"	20.974666
"101072"	594.657563	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M-H+Cl"	33.962126
"536256"	883.495813	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M-H+Cl"	33.962126
"930863"	305.819313	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-H+Cl"	33.962126
"281588"	1190.322402	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+Cl"	34.969402
"673766"	1767.998902	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+Cl"	34.969402
"1287264"	612.645902	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Cl"	34.969402
"28845"	1192.301606	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M-2H+K"	36.948606
"470472"	1769.978106	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M-2H+K"	36.948606
"846934"	614.625106	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-2H+K"	36.948606
"1568963"	614.625106	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+K-2H"	36.948606
"957213"	622.674694	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-H+HCOOH"	44.998194
"372148"	1200.351201	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+HCOOH-H"	44.998201
"357125"	1214.366851	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+Hac-H"	59.013851
"1505593"	636.690351	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Hac-H"	59.013851
"971317"	644.656651	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-H+NaCOOH"	66.980151
"123505"	612.645902	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+2Cl"	69.938804
"560151"	901.484152	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+2Cl"	69.938804
"1028951"	323.807652	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2Cl"	69.938804
"1249622"	656.595385	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Br"	78.918885
"1313164"	658.651372	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Cl+HCOOH"	80.974872
"1331752"	680.633329	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Cl+NaCOOH"	102.956829
"926702"	690.662086	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M-H+CF3COOH"	112.985586
"1304020"	726.638764	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Cl+CF3COOH"	148.962264
"1380594"	542.663824	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H-2H2O"	-35.012676
"1393716"	560.6738	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H-H2O"	-17.0027
"294130"	1156.360276	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+H"	1.007276
"680716"	1734.036776	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+H"	1.007276
"1354879"	578.683776	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H"	1.007276
"126913"	578.683776	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+2H"	2.014552
"573890"	867.522026	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+2H"	2.014552
"1039773"	289.845526	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2H"	2.014552
"204875"	386.124942666667	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+3H"	3.021828
"651248"	578.683776	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+3H"	3.021828
"1172656"	193.566109333333	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+3H"	3.021828
"435934"	1173.386823	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+NH4"	18.033823
"798020"	1751.063323	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+NH4"	18.033823
"1684509"	595.710323	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+NH4"	18.033823
"330721"	587.1970495	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+H+NH4"	19.041099
"733957"	876.0352995	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+H+NH4"	19.041099
"1488870"	298.3587995	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H+NH4"	19.041099
"404269"	1178.342218	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+Na"	22.989218
"765266"	1756.018718	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+Na"	22.989218
"1618072"	600.665718	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Na"	22.989218
"328872"	589.674747	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+H+Na"	23.996494
"721782"	878.512997	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+H+Na"	23.996494
"1476455"	300.836497	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H+Na"	23.996494
"1065078"	200.893423333333	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2H+Na"	25.00377
"1265664"	610.709986	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+CH3OH+H"	33.033486
"387519"	1194.316158	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+K"	38.963158
"744141"	1771.992658	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+K"	38.963158
"1546194"	616.639658	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+K"	38.963158
"301547"	597.661717	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+H+K"	39.970434
"702354"	886.499967	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+H+K"	39.970434
"1447425"	308.823467	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H+K"	39.970434
"237481"	1197.386826	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+ACN+H"	42.033826
"1213110"	619.710326	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+ACN+H"	42.033826
"1200274"	310.358801	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+ACN+2H"	43.041102
"192780"	1200.32416	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+2Na-H"	44.97116
"637085"	1778.00066	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+2Na-H"	44.97116
"1142416"	622.64766	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2Na-H"	44.97116
"182793"	600.665718	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+2Na"	45.978436
"620168"	889.503968	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+2Na"	45.978436
"1124404"	311.827468	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2Na"	45.978436
"1407562"	208.220737333333	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H+2Na"	46.985712
"1437129"	624.689246	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H+HCOOH"	47.012746
"225728"	605.69874	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+3H2O+2H"	56.04448
"1515977"	638.74129	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+IsoProp+H"	61.06479
"413477"	608.652688	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+Na+K"	61.952376
"783225"	897.490938	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+Na+K"	61.952376
"1672993"	319.814438	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Na+K"	61.952376
"255138"	1219.368768	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+ACN+Na"	64.015768
"1235502"	641.692268	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+ACN+Na"	64.015768
"1720014"	641.715793	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+NH4+HCOOH"	64.039293
"1184272"	215.548051333333	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+3Na"	68.967654
"1655263"	646.671188	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Na+HCOOH"	68.994688
"163217"	1232.27204	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+2K-H"	76.91904
"599128"	1809.94854	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+2K-H"	76.91904
"1086188"	654.59554	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2K-H"	76.91904
"144466"	616.639658	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"2M+2K"	77.926316
"589137"	905.477908	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"3M+2K"	77.926316
"1080211"	327.801408	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2K"	77.926316
"1110136"	656.610092	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2K+H"	78.933592
"1347994"	656.697707	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+DMSO+H"	79.021207
"1016889"	660.736876	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2ACN+H"	83.060376
"1536839"	661.730508	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+IsoProp+Na+H"	84.054008
"1002555"	330.872076	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+2ACN+2H"	84.067652
"1599607"	662.645128	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+K+HCOOH"	84.968628
"1421984"	692.676638	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+H+CF3COOH"	115.000138
"1162362"	351.385351	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+3ACN+2H"	125.094202
"1712649"	709.703185	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+NH4+CF3COOH"	132.026685
"1646225"	714.65858	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+Na+CF3COOH"	136.98208
"1579688"	730.63252	"C18392"	"Bromofenofos"	"C12H7Br4O5P"	"577.6765"	"M+K+CF3COOH"	152.95602
"802518"	390.8202	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M"	0
"977387"	371.80181	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-H2O-H"	-19.01839
"70733"	259.539524	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M-3H"	-3.021828
"507012"	389.812924	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M-3H"	-3.021828
"889186"	129.266124	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-3H"	-3.021828
"4481"	389.812924	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M-2H"	-2.014552
"446229"	585.223024	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M-2H"	-2.014552
"818806"	194.402824	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-2H"	-2.014552
"79650"	780.633124	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M-H"	-1.007276
"519575"	1171.453324	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M-H"	-1.007276
"904677"	389.812924	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-H"	-1.007276
"56863"	797.659671	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M-2H+NH4"	16.019271
"492048"	1188.479871	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M-2H+NH4"	16.019271
"865476"	406.839471	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-2H+NH4"	16.019271
"34473"	802.615066	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M-2H+Na"	20.974666
"472327"	1193.435266	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M-2H+Na"	20.974666
"849641"	411.794866	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-2H+Na"	20.974666
"1619054"	411.794866	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Na-2H"	20.974666
"102275"	407.801263	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M-H+Cl"	33.962126
"536366"	603.211363	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M-H+Cl"	33.962126
"930973"	212.391163	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-H+Cl"	33.962126
"282430"	816.609802	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+Cl"	34.969402
"674243"	1207.430002	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+Cl"	34.969402
"1288104"	425.789602	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Cl"	34.969402
"31025"	818.589006	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M-2H+K"	36.948606
"469976"	1209.409206	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M-2H+K"	36.948606
"847411"	427.768806	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-2H+K"	36.948606
"1569072"	427.768806	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+K-2H"	36.948606
"957327"	435.818394	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-H+HCOOH"	44.998194
"374446"	826.638601	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+HCOOH-H"	44.998201
"360032"	840.654251	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+Hac-H"	59.013851
"1507165"	449.834051	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Hac-H"	59.013851
"969600"	457.800351	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-H+NaCOOH"	66.980151
"124708"	425.789602	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+2Cl"	69.938804
"563905"	621.199702	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+2Cl"	69.938804
"1036841"	230.379502	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2Cl"	69.938804
"1256664"	469.739085	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Br"	78.918885
"1315460"	471.795072	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Cl+HCOOH"	80.974872
"1335553"	493.777029	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Cl+NaCOOH"	102.956829
"926996"	503.805786	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M-H+CF3COOH"	112.985586
"1304133"	539.782464	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Cl+CF3COOH"	148.962264
"1378881"	355.807524	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H-2H2O"	-35.012676
"1394190"	373.8175	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H-H2O"	-17.0027
"294604"	782.647676	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+H"	1.007276
"680826"	1173.467876	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+H"	1.007276
"1353895"	391.827476	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H"	1.007276
"127510"	391.827476	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+2H"	2.014552
"568891"	587.237576	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+2H"	2.014552
"1039149"	196.417376	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2H"	2.014552
"205227"	261.554076	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+3H"	3.021828
"653180"	391.827476	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+3H"	3.021828
"1171672"	131.280676	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+3H"	3.021828
"433853"	799.674223	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+NH4"	18.033823
"794848"	1190.494423	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+NH4"	18.033823
"1687899"	408.854023	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+NH4"	18.033823
"333988"	400.3407495	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+H+NH4"	19.041099
"734067"	595.7508495	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+H+NH4"	19.041099
"1488980"	204.9306495	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H+NH4"	19.041099
"405472"	804.629618	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+Na"	22.989218
"764282"	1195.449818	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+Na"	22.989218
"1617849"	413.809418	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Na"	22.989218
"328980"	402.818447	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+H+Na"	23.996494
"722709"	598.228547	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+H+Na"	23.996494
"1476890"	207.408347	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H+Na"	23.996494
"1068106"	138.60799	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2H+Na"	25.00377
"1271240"	423.853686	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+CH3OH+H"	33.033486
"382160"	820.603558	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+K"	38.963158
"743156"	1211.423758	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+K"	38.963158
"1546303"	429.783358	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+K"	38.963158
"302386"	410.805417	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+H+K"	39.970434
"702464"	606.215517	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+H+K"	39.970434
"1449722"	215.395317	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H+K"	39.970434
"237591"	823.674226	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+ACN+H"	42.033826
"1213220"	432.854026	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+ACN+H"	42.033826
"1197103"	216.930651	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+ACN+2H"	43.041102
"190701"	826.61156	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+2Na-H"	44.97116
"637195"	1217.43176	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+2Na-H"	44.97116
"1139609"	435.79136	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2Na-H"	44.97116
"181809"	413.809418	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+2Na"	45.978436
"624288"	609.219518	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+2Na"	45.978436
"1125607"	218.399318	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2Na"	45.978436
"1408400"	145.935304	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H+2Na"	46.985712
"1440519"	437.832946	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H+HCOOH"	47.012746
"227661"	418.84244	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+3H2O+2H"	56.04448
"1518639"	451.88499	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+IsoProp+H"	61.06479
"418690"	421.796388	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+Na+K"	61.952376
"782241"	617.206488	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+Na+K"	61.952376
"1672010"	226.386288	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Na+K"	61.952376
"256341"	845.656168	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+ACN+Na"	64.015768
"1237799"	454.835968	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+ACN+Na"	64.015768
"1721217"	454.859493	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+NH4+HCOOH"	64.039293
"1184381"	153.262618	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+3Na"	68.967654
"1655373"	459.814888	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Na+HCOOH"	68.994688
"162234"	858.55944	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+2K-H"	76.91904
"599238"	1249.37964	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+2K-H"	76.91904
"1087027"	467.73924	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2K-H"	76.91904
"145305"	429.783358	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"2M+2K"	77.926316
"588154"	625.193458	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"3M+2K"	77.926316
"1079228"	234.373258	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2K"	77.926316
"1104779"	469.753792	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2K+H"	78.933592
"1349198"	469.841407	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+DMSO+H"	79.021207
"1020159"	473.880576	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2ACN+H"	83.060376
"1538044"	474.874208	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+IsoProp+Na+H"	84.054008
"1005096"	237.443926	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+2ACN+2H"	84.067652
"1598989"	475.788828	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+K+HCOOH"	84.968628
"1422094"	505.820338	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+H+CF3COOH"	115.000138
"1161501"	257.957201	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+3ACN+2H"	125.094202
"1711414"	522.846885	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+NH4+CF3COOH"	132.026685
"1646335"	527.80228	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+Na+CF3COOH"	136.98208
"1579798"	543.77622	"C18393"	"Disophenol;26-Diiod-4-nitrophenol"	"C6H3I2NO3"	"390.8202"	"M+K+CF3COOH"	152.95602
"801457"	367.0232	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M"	0
"981508"	348.00481	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-H2O-H"	-19.01839
"68657"	243.674857333333	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M-3H"	-3.021828
"513683"	366.015924	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M-3H"	-3.021828
"888203"	121.333790666667	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-3H"	-3.021828
"5685"	366.015924	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H"	-2.014552
"445246"	549.527524	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H"	-2.014552
"825235"	182.504324	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-2H"	-2.014552
"84133"	733.039124	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M-H"	-1.007276
"521514"	1100.062324	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M-H"	-1.007276
"901503"	366.015924	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-H"	-1.007276
"56973"	750.065671	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H+NH4"	16.019271
"489972"	1117.088871	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H+NH4"	16.019271
"864611"	383.042471	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-2H+NH4"	16.019271
"32145"	755.021066	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H+Na"	20.974666
"472197"	1122.044266	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H+Na"	20.974666
"849748"	387.997866	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-2H+Na"	20.974666
"1618880"	387.997866	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Na-2H"	20.974666
"102385"	384.004263	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M-H+Cl"	33.962126
"537569"	567.515863	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M-H+Cl"	33.962126
"932177"	200.492663	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-H+Cl"	33.962126
"281204"	769.015802	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+Cl"	34.969402
"673745"	1136.039002	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+Cl"	34.969402
"1287609"	401.992602	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl"	34.969402
"30408"	770.995006	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H+K"	36.948606
"470326"	1138.018206	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H+K"	36.948606
"848005"	403.971806	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-2H+K"	36.948606
"1570638"	403.971806	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+K-2H"	36.948606
"957799"	412.021394	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-H+HCOOH"	44.998194
"376379"	779.044601	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+HCOOH-H"	44.998201
"360505"	793.060251	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+Hac-H"	59.013851
"1508123"	426.037051	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Hac-H"	59.013851
"968981"	434.003351	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-H+NaCOOH"	66.980151
"125385"	401.992602	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+2Cl"	69.938804
"564746"	585.504202	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+2Cl"	69.938804
"1036342"	218.481002	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2Cl"	69.938804
"1256166"	445.942085	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Br"	78.918885
"1318486"	447.998072	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl+HCOOH"	80.974872
"1335264"	469.980029	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl+NaCOOH"	102.956829
"926883"	480.008786	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M-H+CF3COOH"	112.985586
"1304110"	515.985464	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl+CF3COOH"	148.962264
"1378991"	332.010524	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H-2H2O"	-35.012676
"1393936"	350.0205	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H-H2O"	-17.0027
"291434"	735.053676	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+H"	1.007276
"682030"	1102.076876	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+H"	1.007276
"1357285"	368.030476	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H"	1.007276
"130174"	368.030476	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+2H"	2.014552
"568641"	551.542076	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+2H"	2.014552
"1038169"	184.518876	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2H"	2.014552
"214092"	245.689409333333	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+3H"	3.021828
"651468"	368.030476	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+3H"	3.021828
"1170689"	123.348342666667	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+3H"	3.021828
"433963"	752.080223	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+NH4"	18.033823
"797145"	1119.103423	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+NH4"	18.033823
"1688009"	385.057023	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+NH4"	18.033823
"334464"	376.5437495	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+H+NH4"	19.041099
"734177"	560.0553495	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+H+NH4"	19.041099
"1491643"	193.0321495	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H+NH4"	19.041099
"404491"	757.035618	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+Na"	22.989218
"765487"	1124.058818	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+Na"	22.989218
"1613584"	390.012418	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Na"	22.989218
"325810"	379.021447	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+H+Na"	23.996494
"722611"	562.533047	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+H+Na"	23.996494
"1476427"	195.509847	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H+Na"	23.996494
"1065299"	130.675656666667	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2H+Na"	25.00377
"1265886"	400.056686	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+CH3OH+H"	33.033486
"388833"	773.009558	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+K"	38.963158
"744361"	1140.032758	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+K"	38.963158
"1549695"	405.986358	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+K"	38.963158
"303590"	387.008417	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+H+K"	39.970434
"702574"	570.520017	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+H+K"	39.970434
"1449832"	203.496817	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H+K"	39.970434
"236609"	776.080226	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+ACN+H"	42.033826
"1211258"	409.057026	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+ACN+H"	42.033826
"1196848"	205.032151	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+ACN+2H"	43.041102
"189835"	779.01756	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+2Na-H"	44.97116
"636212"	1146.04076	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+2Na-H"	44.97116
"1141906"	411.99436	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2Na-H"	44.97116
"182283"	390.012418	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+2Na"	45.978436
"621113"	573.524018	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+2Na"	45.978436
"1122801"	206.500818	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2Na"	45.978436
"1407417"	138.002970666667	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H+2Na"	46.985712
"1439536"	414.035946	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H+HCOOH"	47.012746
"231416"	395.04544	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+3H2O+2H"	56.04448
"1517291"	428.08799	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+IsoProp+H"	61.06479
"418071"	397.999388	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+Na+K"	61.952376
"779071"	581.510988	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+Na+K"	61.952376
"1672120"	214.487788	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Na+K"	61.952376
"255358"	798.062168	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+ACN+Na"	64.015768
"1231347"	431.038968	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+ACN+Na"	64.015768
"1720234"	431.062493	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+NH4+HCOOH"	64.039293
"1181939"	145.330284666667	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+3Na"	68.967654
"1659859"	436.017888	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Na+HCOOH"	68.994688
"162344"	810.96544	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+2K-H"	76.91904
"599712"	1177.98864	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+2K-H"	76.91904
"1086043"	443.94224	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2K-H"	76.91904
"144322"	405.986358	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"2M+2K"	77.926316
"584984"	589.497958	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"3M+2K"	77.926316
"1077151"	222.474758	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2K"	77.926316
"1105982"	445.956792	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2K+H"	78.933592
"1347483"	446.044407	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+DMSO+H"	79.021207
"1019298"	450.083576	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2ACN+H"	83.060376
"1538517"	451.077208	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+IsoProp+Na+H"	84.054008
"1003505"	225.545426	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+2ACN+2H"	84.067652
"1595451"	451.991828	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+K+HCOOH"	84.968628
"1417829"	482.023338	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+H+CF3COOH"	115.000138
"1162218"	246.058701	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+3ACN+2H"	125.094202
"1711767"	499.049885	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+NH4+CF3COOH"	132.026685
"1642070"	504.00528	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+Na+CF3COOH"	136.98208
"1579908"	519.97922	"C18394"	"Anilofos"	"C13H19ClNO3PS2"	"367.0232"	"M+K+CF3COOH"	152.95602
"810272"	270.0877	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M"	0
"982712"	251.06931	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-H2O-H"	-19.01839
"69860"	179.051190666667	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M-3H"	-3.021828
"512700"	269.080424	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M-3H"	-3.021828
"886127"	89.0219573333333	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-3H"	-3.021828
"6888"	269.080424	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M-2H"	-2.014552
"447542"	404.124274	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M-2H"	-2.014552
"822065"	134.036574	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-2H"	-2.014552
"86429"	539.168124	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M-H"	-1.007276
"521624"	809.255824	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M-H"	-1.007276
"901613"	269.080424	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-H"	-1.007276
"55990"	556.194671	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M-2H+NH4"	16.019271
"488138"	826.282371	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M-2H+NH4"	16.019271
"864377"	286.106971	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-2H+NH4"	16.019271
"31683"	561.150066	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M-2H+Na"	20.974666
"471409"	831.237766	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M-2H+Na"	20.974666
"848643"	291.062366	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-2H+Na"	20.974666
"1618503"	291.062366	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Na-2H"	20.974666
"99215"	287.068763	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M-H+Cl"	33.962126
"537679"	422.112613	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M-H+Cl"	33.962126
"932287"	152.024913	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-H+Cl"	33.962126
"282291"	575.144802	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+Cl"	34.969402
"675438"	845.232502	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+Cl"	34.969402
"1288205"	305.057102	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Cl"	34.969402
"31007"	577.124006	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M-2H+K"	36.948606
"471254"	847.211706	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M-2H+K"	36.948606
"846169"	307.036306	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-2H+K"	36.948606
"1568926"	307.036306	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+K-2H"	36.948606
"957178"	315.085894	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-H+HCOOH"	44.998194
"376979"	585.173601	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+HCOOH-H"	44.998201
"360737"	599.189251	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+Hac-H"	59.013851
"1508308"	329.101551	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Hac-H"	59.013851
"969821"	337.067851	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-H+NaCOOH"	66.980151
"124196"	305.057102	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+2Cl"	69.938804
"561577"	440.100952	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+2Cl"	69.938804
"1035359"	170.013252	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2Cl"	69.938804
"1256639"	349.006585	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Br"	78.918885
"1317872"	351.062572	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Cl+HCOOH"	80.974872
"1335332"	373.044529	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Cl+NaCOOH"	102.956829
"926790"	383.073286	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M-H+CF3COOH"	112.985586
"1304067"	419.049964	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Cl+CF3COOH"	148.962264
"1380560"	235.075024	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H-2H2O"	-35.012676
"1396962"	253.085	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H-H2O"	-17.0027
"291544"	541.182676	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+H"	1.007276
"683235"	811.270376	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+H"	1.007276
"1357762"	271.094976	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H"	1.007276
"131014"	271.094976	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+2H"	2.014552
"569845"	406.138826	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+2H"	2.014552
"1038645"	136.051126	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2H"	2.014552
"213838"	181.065742666667	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+3H"	3.021828
"650485"	271.094976	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+3H"	3.021828
"1167519"	91.0365093333333	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+3H"	3.021828
"434074"	558.209223	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+NH4"	18.033823
"797257"	828.296923	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+NH4"	18.033823
"1690306"	288.121523	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+NH4"	18.033823
"334210"	279.6082495	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+H+NH4"	19.041099
"732101"	414.6520995	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+H+NH4"	19.041099
"1485920"	144.5643995	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H+NH4"	19.041099
"402413"	563.164618	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+Na"	22.989218
"763409"	833.252318	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+Na"	22.989218
"1609322"	293.076918	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Na"	22.989218
"322639"	282.085947	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+H+Na"	23.996494
"721501"	417.129797	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+H+Na"	23.996494
"1476416"	147.042097	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H+Na"	23.996494
"1065409"	98.3638233333333	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2H+Na"	25.00377
"1267089"	303.121186	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+CH3OH+H"	33.033486
"380195"	579.138558	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+K"	38.963158
"744471"	849.226258	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+K"	38.963158
"1553086"	309.050858	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+K"	38.963158
"303700"	290.072917	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+H+K"	39.970434
"702685"	425.116767	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+H+K"	39.970434
"1449942"	155.029067	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H+K"	39.970434
"237450"	582.209226	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+ACN+H"	42.033826
"1210761"	312.121526	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+ACN+H"	42.033826
"1196594"	156.564401	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+ACN+2H"	43.041102
"189824"	585.14656	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+2Na-H"	44.97116
"629508"	855.23426	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+2Na-H"	44.97116
"1137637"	315.05886	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2Na-H"	44.97116
"176553"	293.076918	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+2Na"	45.978436
"623044"	428.120768	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+2Na"	45.978436
"1126186"	158.033068	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2Na"	45.978436
"1411169"	105.691137333333	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H+2Na"	46.985712
"1438543"	317.100446	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H+HCOOH"	47.012746
"223864"	298.10994	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+3H2O+2H"	56.04448
"1515209"	331.15249	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+IsoProp+H"	61.06479
"415988"	301.063888	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+Na+K"	61.952376
"774795"	436.107738	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+Na+K"	61.952376
"1676234"	166.020038	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Na+K"	61.952376
"259838"	604.191168	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+ACN+Na"	64.015768
"1235464"	334.103468	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+ACN+Na"	64.015768
"1713654"	334.126993	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+NH4+HCOOH"	64.039293
"1183506"	113.018451333333	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+3Na"	68.967654
"1656678"	339.082388	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Na+HCOOH"	68.994688
"159893"	617.09444	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+2K-H"	76.91904
"599816"	887.18214	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+2K-H"	76.91904
"1089433"	347.00674	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2K-H"	76.91904
"141583"	309.050858	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"2M+2K"	77.926316
"586187"	444.094708	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"3M+2K"	77.926316
"1077261"	174.007008	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2K"	77.926316
"1104999"	349.021292	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2K+H"	78.933592
"1350143"	349.108907	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+DMSO+H"	79.021207
"1020138"	353.148076	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2ACN+H"	83.060376
"1538754"	354.141708	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+IsoProp+Na+H"	84.054008
"1004586"	177.077676	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+2ACN+2H"	84.067652
"1595561"	355.056328	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+K+HCOOH"	84.968628
"1420126"	385.087838	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+H+CF3COOH"	115.000138
"1162574"	197.590951	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+3ACN+2H"	125.094202
"1710905"	402.114385	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+NH4+CF3COOH"	132.026685
"1642180"	407.06978	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+Na+CF3COOH"	136.98208
"1576737"	423.04372	"C18395"	"Cadusafos"	"C10H23O2PS2"	"270.0877"	"M+K+CF3COOH"	152.95602
"807102"	137.0841	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M"	0
"980634"	118.06571	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"72160"	90.382124	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"509534"	136.076824	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"889522"	44.687424	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"8094"	136.076824	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"446563"	204.618874	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"826550"	67.534774	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"86541"	273.160924	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"518817"	410.245024	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"901723"	136.076824	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"56099"	290.187471	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"493476"	427.271571	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"865809"	153.103371	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"31479"	295.142866	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"471506"	432.226966	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"848586"	158.058766	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1619513"	158.058766	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"98229"	154.065163	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"541069"	222.607213	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"932397"	85.523113	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"282561"	309.137602	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"674693"	446.221702	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1287826"	172.053502	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"30956"	311.116806	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"471231"	448.200906	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"846646"	174.032706	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1567943"	174.032706	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"958260"	182.082294	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"375144"	319.166401	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"360969"	333.182051	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1508295"	196.097951	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"973867"	204.064251	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"124185"	172.053502	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"564966"	240.595552	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1036563"	103.511452	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1256994"	216.002985	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1317981"	218.058972	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1334749"	240.040929	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"926738"	250.069686	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1302875"	286.046364	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1380304"	102.071424	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1394155"	120.0814	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"291654"	275.175476	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"680064"	412.259576	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1358599"	138.091376	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"128208"	138.091376	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"567039"	206.633426	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1042035"	69.549326	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"208844"	92.396676	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"652783"	138.091376	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1170911"	46.701976	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"434184"	292.202023	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"797369"	429.286123	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1690418"	155.117923	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"338697"	146.6046495	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"731118"	215.1466995	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1488219"	78.0625995	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"399243"	297.157418	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"759146"	434.241518	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1609433"	160.073318	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"324937"	149.082347	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"720639"	217.624397	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1475800"	80.540297	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1064426"	54.02929	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1271211"	170.117586	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"386868"	313.131358	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"750050"	450.215458	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1551739"	176.047258	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"304904"	157.069317	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"701701"	225.611367	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1447865"	88.527267	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"237924"	316.202026	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1215737"	179.117926	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1197433"	90.062601	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"189446"	319.13936	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"629137"	456.22346	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1137747"	182.05526	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"175691"	160.073318	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"624977"	228.615368	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1126294"	91.531268	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1410548"	61.356604	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1436468"	184.096846	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"222882"	165.10634	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1516413"	198.14889	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"413182"	168.060288	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"775998"	236.602338	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1673428"	99.518238	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"259948"	338.183968	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1235573"	201.099868	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1714617"	201.123393	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1182523"	68.683918	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1657883"	206.078788	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"161097"	351.08724	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"598834"	488.17134	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1089178"	214.00314	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"147816"	176.047258	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"585204"	244.589308	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1077371"	107.505208	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1104016"	216.017692	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1349889"	216.105307	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1019878"	220.144476	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1536909"	221.138108	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"1002261"	110.575876	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1596764"	222.052728	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1425704"	252.084238	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1157089"	131.089151	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1702265"	269.110785	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1634999"	274.06618	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1576847"	290.04012	"C18396"	"Methyridine"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"803201"	243.0119	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M"	0
"975277"	223.99351	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-H2O-H"	-19.01839
"65705"	161.000657333333	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M-3H"	-3.021828
"512924"	242.004624	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M-3H"	-3.021828
"889631"	79.9966906666667	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-3H"	-3.021828
"3829"	242.004624	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M-2H"	-2.014552
"447766"	363.510574	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M-2H"	-2.014552
"825568"	120.498674	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-2H"	-2.014552
"87746"	485.016524	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M-H"	-1.007276
"519290"	728.028424	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M-H"	-1.007276
"901833"	242.004624	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-H"	-1.007276
"56938"	502.043071	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M-2H+NH4"	16.019271
"492493"	745.054971	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M-2H+NH4"	16.019271
"865553"	259.031171	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-2H+NH4"	16.019271
"31860"	506.998466	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M-2H+Na"	20.974666
"472082"	750.010366	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M-2H+Na"	20.974666
"848900"	263.986566	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-2H+Na"	20.974666
"1620716"	263.986566	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Na-2H"	20.974666
"98339"	259.992963	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M-H+Cl"	33.962126
"538993"	381.498913	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M-H+Cl"	33.962126
"932507"	138.487013	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-H+Cl"	33.962126
"282822"	520.993202	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+Cl"	34.969402
"674802"	764.005102	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+Cl"	34.969402
"1286477"	277.981302	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Cl"	34.969402
"31331"	522.972406	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M-2H+K"	36.948606
"470657"	765.984306	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M-2H+K"	36.948606
"846392"	279.960506	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-2H+K"	36.948606
"1570362"	279.960506	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+K-2H"	36.948606
"956305"	288.010094	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-H+HCOOH"	44.998194
"376267"	531.022001	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+HCOOH-H"	44.998201
"359135"	545.037651	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+Hac-H"	59.013851
"1505052"	302.025751	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Hac-H"	59.013851
"971137"	309.992051	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-H+NaCOOH"	66.980151
"122594"	277.981302	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+2Cl"	69.938804
"565655"	399.487252	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+2Cl"	69.938804
"1036756"	156.475352	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2Cl"	69.938804
"1257013"	321.930785	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Br"	78.918885
"1319549"	323.986772	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Cl+HCOOH"	80.974872
"1335346"	345.968729	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Cl+NaCOOH"	102.956829
"925913"	355.997486	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M-H+CF3COOH"	112.985586
"1301526"	391.974164	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Cl+CF3COOH"	148.962264
"1378226"	207.999224	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H-2H2O"	-35.012676
"1391348"	226.0092	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H-H2O"	-17.0027
"292128"	487.031076	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+H"	1.007276
"681268"	730.042976	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+H"	1.007276
"1355429"	244.019176	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H"	1.007276
"130503"	244.019176	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+2H"	2.014552
"567511"	365.525126	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+2H"	2.014552
"1042145"	122.513226	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2H"	2.014552
"205061"	163.015209333333	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+3H"	3.021828
"653986"	244.019176	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+3H"	3.021828
"1172114"	82.0112426666667	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+3H"	3.021828
"437576"	504.057623	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+NH4"	18.033823
"798572"	747.069523	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+NH4"	18.033823
"1689435"	261.045723	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+NH4"	18.033823
"340992"	252.5324495	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+H+NH4"	19.041099
"733414"	374.0383995	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+H+NH4"	19.041099
"1488328"	131.0264995	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H+NH4"	19.041099
"397165"	509.013018	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+Na"	22.989218
"761442"	752.024918	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+Na"	22.989218
"1613915"	266.001118	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Na"	22.989218
"323954"	255.010147	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+H+Na"	23.996494
"721972"	376.516097	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+H+Na"	23.996494
"1474570"	133.504197	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H+Na"	23.996494
"1063443"	89.3385566666667	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2H+Na"	25.00377
"1270349"	276.045386	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+CH3OH+H"	33.033486
"386978"	524.986958	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+K"	38.963158
"747972"	767.998858	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+K"	38.963158
"1550027"	281.975058	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+K"	38.963158
"305014"	262.997117	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+H+K"	39.970434
"698531"	384.503067	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+H+K"	39.970434
"1448339"	141.491167	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H+K"	39.970434
"239127"	528.057626	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+ACN+H"	42.033826
"1210742"	285.045726	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+ACN+H"	42.033826
"1196448"	143.026501	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+ACN+2H"	43.041102
"190773"	530.99496	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+2Na-H"	44.97116
"629969"	774.00686	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+2Na-H"	44.97116
"1137857"	287.98306	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2Na-H"	44.97116
"176773"	266.001118	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+2Na"	45.978436
"619618"	387.507068	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+2Na"	45.978436
"1126406"	144.495168	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2Na"	45.978436
"1406649"	96.6658706666667	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H+2Na"	46.985712
"1437670"	290.024646	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H+HCOOH"	47.012746
"226273"	271.03414	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+3H2O+2H"	56.04448
"1513243"	304.07669	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+IsoProp+H"	61.06479
"410012"	273.988088	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+Na+K"	61.952376
"777203"	395.494038	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+Na+K"	61.952376
"1669164"	152.482138	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Na+K"	61.952376
"256778"	550.039568	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+ACN+Na"	64.015768
"1230579"	307.027668	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+ACN+Na"	64.015768
"1714727"	307.051193	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+NH4+HCOOH"	64.039293
"1182633"	103.993184666667	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+3Na"	68.967654
"1656900"	312.006588	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Na+HCOOH"	68.994688
"159752"	562.94284	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+2K-H"	76.91904
"598214"	805.95474	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+2K-H"	76.91904
"1087103"	319.93094	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2K-H"	76.91904
"144648"	281.975058	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"2M+2K"	77.926316
"582385"	403.481008	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"3M+2K"	77.926316
"1076388"	160.469108	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2K"	77.926316
"1104126"	321.945492	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2K+H"	78.933592
"1343801"	322.033107	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+DMSO+H"	79.021207
"1019259"	326.072276	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2ACN+H"	83.060376
"1536290"	327.065908	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+IsoProp+Na+H"	84.054008
"1000914"	163.539776	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+2ACN+2H"	84.067652
"1596874"	327.980528	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+K+HCOOH"	84.968628
"1424721"	358.012038	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+H+CF3COOH"	115.000138
"1157199"	184.053051	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+3ACN+2H"	125.094202
"1702375"	375.038585	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+NH4+CF3COOH"	132.026685
"1635838"	379.99398	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+Na+CF3COOH"	136.98208
"1576957"	395.96792	"C18397"	"Cyanophos"	"C9H10NO3PS"	"243.0119"	"M+K+CF3COOH"	152.95602
"807322"	313.97	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M"	0
"987783"	294.95161	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-H2O-H"	-19.01839
"72377"	208.306057333333	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M-3H"	-3.021828
"516313"	312.962724	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M-3H"	-3.021828
"894113"	103.649390666667	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-3H"	-3.021828
"11598"	312.962724	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M-2H"	-2.014552
"448970"	469.947724	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M-2H"	-2.014552
"828957"	155.977724	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-2H"	-2.014552
"85671"	626.932724	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M-H"	-1.007276
"524142"	940.902724	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M-H"	-1.007276
"901944"	312.962724	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-H"	-1.007276
"57415"	643.959271	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M-2H+NH4"	16.019271
"493696"	957.929271	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M-2H+NH4"	16.019271
"868216"	329.989271	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-2H+NH4"	16.019271
"35022"	648.914666	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M-2H+Na"	20.974666
"472273"	962.884666	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M-2H+Na"	20.974666
"849217"	334.944666	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-2H+Na"	20.974666
"1620826"	334.944666	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Na-2H"	20.974666
"97356"	330.951063	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M-H+Cl"	33.962126
"538010"	487.936063	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M-H+Cl"	33.962126
"931524"	173.966063	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-H+Cl"	33.962126
"281888"	662.909402	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+Cl"	34.969402
"674553"	976.879402	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+Cl"	34.969402
"1287078"	348.939402	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Cl"	34.969402
"30849"	664.888606	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M-2H+K"	36.948606
"470646"	978.858606	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M-2H+K"	36.948606
"847959"	350.918606	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-2H+K"	36.948606
"1570958"	350.918606	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+K-2H"	36.948606
"956050"	358.968194	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-H+HCOOH"	44.998194
"374272"	672.938201	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+HCOOH-H"	44.998201
"360338"	686.953851	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+Hac-H"	59.013851
"1506255"	372.983851	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Hac-H"	59.013851
"972705"	380.950151	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-H+NaCOOH"	66.980151
"120518"	348.939402	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+2Cl"	69.938804
"565155"	505.924402	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+2Cl"	69.938804
"1036709"	191.954402	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2Cl"	69.938804
"1256686"	392.888885	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Br"	78.918885
"1318935"	394.944872	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Cl+HCOOH"	80.974872
"1335088"	416.926829	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Cl+NaCOOH"	102.956829
"926023"	426.955586	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M-H+CF3COOH"	112.985586
"1303338"	462.932264	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Cl+CF3COOH"	148.962264
"1380523"	278.957324	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H-2H2O"	-35.012676
"1394738"	296.9673	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H-H2O"	-17.0027
"294425"	628.947276	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+H"	1.007276
"682473"	942.917276	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+H"	1.007276
"1355903"	314.977276	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H"	1.007276
"132799"	314.977276	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+2H"	2.014552
"571268"	471.962276	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+2H"	2.014552
"1046629"	157.992276	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2H"	2.014552
"207970"	210.320609333333	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+3H"	3.021828
"651908"	314.977276	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+3H"	3.021828
"1172224"	105.663942666667	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+3H"	3.021828
"439510"	645.973823	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+NH4"	18.033823
"798684"	959.943823	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+NH4"	18.033823
"1695014"	332.003823	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+NH4"	18.033823
"344751"	323.4905495	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+H+NH4"	19.041099
"734618"	480.4755495	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+H+NH4"	19.041099
"1487343"	166.5055495	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H+NH4"	19.041099
"398368"	650.929218	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+Na"	22.989218
"761552"	964.899218	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+Na"	22.989218
"1614025"	336.959218	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Na"	22.989218
"324064"	325.968247	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+H+Na"	23.996494
"722322"	482.953247	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+H+Na"	23.996494
"1473586"	168.983247	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H+Na"	23.996494
"1056989"	112.991256666667	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2H+Na"	25.00377
"1261948"	347.003486	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+CH3OH+H"	33.033486
"389276"	666.903158	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+K"	38.963158
"750270"	980.873158	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+K"	38.963158
"1552323"	352.933158	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+K"	38.963158
"305124"	333.955217	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+H+K"	39.970434
"704108"	490.940217	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+H+K"	39.970434
"1449178"	176.970217	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H+K"	39.970434
"242154"	669.973826	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+ACN+H"	42.033826
"1214863"	356.003826	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+ACN+H"	42.033826
"1198746"	178.505551	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+ACN+2H"	43.041102
"190155"	672.91116	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+2Na-H"	44.97116
"628867"	986.88116	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+2Na-H"	44.97116
"1134687"	358.94116	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2Na-H"	44.97116
"180164"	336.959218	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+2Na"	45.978436
"624102"	493.944218	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+2Na"	45.978436
"1129674"	179.974218	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2Na"	45.978436
"1411861"	120.318570666667	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H+2Na"	46.985712
"1441062"	360.982746	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H+HCOOH"	47.012746
"229663"	341.99224	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+3H2O+2H"	56.04448
"1519913"	375.03479	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+IsoProp+H"	61.06479
"417412"	344.946188	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+Na+K"	61.952376
"780593"	501.931188	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+Na+K"	61.952376
"1674742"	187.961188	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Na+K"	61.952376
"257982"	691.955768	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+ACN+Na"	64.015768
"1232879"	377.985768	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+ACN+Na"	64.015768
"1714837"	378.009293	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+NH4+HCOOH"	64.039293
"1179827"	127.645884666667	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+3Na"	68.967654
"1651541"	382.964688	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Na+HCOOH"	68.994688
"159500"	704.85904	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+2K-H"	76.91904
"603437"	1018.82904	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+2K-H"	76.91904
"1085759"	390.88904	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2K-H"	76.91904
"142938"	352.933158	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"2M+2K"	77.926316
"582736"	509.918158	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"3M+2K"	77.926316
"1077591"	195.948158	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2K"	77.926316
"1105331"	392.903592	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2K+H"	78.933592
"1345370"	392.991207	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+DMSO+H"	79.021207
"1018275"	397.030376	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2ACN+H"	83.060376
"1536764"	398.024008	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+IsoProp+Na+H"	84.054008
"1001753"	199.018826	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+2ACN+2H"	84.067652
"1594797"	398.938628	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+K+HCOOH"	84.968628
"1428113"	428.970138	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+H+CF3COOH"	115.000138
"1159133"	219.532101	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+3ACN+2H"	125.094202
"1711114"	445.996685	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+NH4+CF3COOH"	132.026685
"1642510"	450.95208	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+Na+CF3COOH"	136.98208
"1577067"	466.92602	"C18398"	"Dichlofenthion"	"C10H13Cl2O3PS"	"313.97"	"M+K+CF3COOH"	152.95602
"804151"	143.9743	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M"	0
"977683"	124.95591	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-H2O-H"	-19.01839
"70300"	94.9755906666667	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M-3H"	-3.021828
"515327"	142.967024	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M-3H"	-3.021828
"890942"	46.9841573333333	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-3H"	-3.021828
"15271"	142.967024	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M-2H"	-2.014552
"453338"	214.954174	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M-2H"	-2.014552
"831254"	70.979874	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-2H"	-2.014552
"92586"	286.941324	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M-H"	-1.007276
"524252"	430.915624	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M-H"	-1.007276
"903148"	142.967024	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-H"	-1.007276
"58618"	303.967871	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M-2H+NH4"	16.019271
"494899"	447.942171	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M-2H+NH4"	16.019271
"871606"	159.993571	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-2H+NH4"	16.019271
"32209"	308.923266	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M-2H+Na"	20.974666
"472380"	452.897566	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M-2H+Na"	20.974666
"849576"	164.948966	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-2H+Na"	20.974666
"1620935"	164.948966	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Na-2H"	20.974666
"96369"	160.955363	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M-H+Cl"	33.962126
"537391"	232.942513	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M-H+Cl"	33.962126
"930542"	88.968213	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-H+Cl"	33.962126
"281995"	322.918002	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+Cl"	34.969402
"673689"	466.892302	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+Cl"	34.969402
"1287430"	178.943702	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Cl"	34.969402
"30347"	324.897206	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M-2H+K"	36.948606
"469907"	468.871506	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M-2H+K"	36.948606
"846247"	180.922906	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-2H+K"	36.948606
"1569002"	180.922906	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+K-2H"	36.948606
"955795"	188.972494	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-H+HCOOH"	44.998194
"373287"	332.946801	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+HCOOH-H"	44.998201
"357895"	346.962451	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+Hac-H"	59.013851
"1503816"	202.988151	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Hac-H"	59.013851
"970261"	210.954451	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-H+NaCOOH"	66.980151
"119167"	178.943702	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+2Cl"	69.938804
"564201"	250.930852	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+2Cl"	69.938804
"1035551"	106.956552	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2Cl"	69.938804
"1255492"	222.893185	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Br"	78.918885
"1317944"	224.949172	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Cl+HCOOH"	80.974872
"1333616"	246.931129	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Cl+NaCOOH"	102.956829
"926616"	256.959886	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M-H+CF3COOH"	112.985586
"1297006"	292.936564	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Cl+CF3COOH"	148.962264
"1377353"	108.961624	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H-2H2O"	-35.012676
"1391568"	126.9716	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H-H2O"	-17.0027
"295628"	288.955876	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+H"	1.007276
"682583"	432.930176	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+H"	1.007276
"1356013"	144.981576	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H"	1.007276
"131817"	144.981576	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+2H"	2.014552
"570282"	216.968726	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+2H"	2.014552
"1044550"	72.994426	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2H"	2.014552
"212451"	96.9901426666667	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+3H"	3.021828
"649831"	144.981576	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+3H"	3.021828
"1172334"	48.9987093333333	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+3H"	3.021828
"434514"	305.982423	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+NH4"	18.033823
"797696"	449.956723	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+NH4"	18.033823
"1691841"	162.008123	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+NH4"	18.033823
"337931"	153.4948495	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+H+NH4"	19.041099
"728165"	225.4819995	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+H+NH4"	19.041099
"1480163"	81.5076995	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H+NH4"	19.041099
"398477"	310.937818	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+Na"	22.989218
"756556"	454.912118	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+Na"	22.989218
"1614134"	166.963518	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Na"	22.989218
"326360"	155.972547	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+H+Na"	23.996494
"718782"	227.959697	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+H+Na"	23.996494
"1471507"	83.985397	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H+Na"	23.996494
"1059283"	56.3260233333333	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2H+Na"	25.00377
"1263149"	177.007786	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+CH3OH+H"	33.033486
"389386"	326.911758	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+K"	38.963158
"748192"	470.886058	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+K"	38.963158
"1553162"	182.937458	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+K"	38.963158
"305234"	163.959517	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+H+K"	39.970434
"704946"	235.946667	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+H+K"	39.970434
"1453661"	91.972367	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H+K"	39.970434
"242264"	329.982426	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+ACN+H"	42.033826
"1216066"	186.008126	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+ACN+H"	42.033826
"1201043"	93.507701	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+ACN+2H"	43.041102
"191725"	332.91976	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+2Na-H"	44.97116
"629340"	476.89406	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+2Na-H"	44.97116
"1138078"	188.94546	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2Na-H"	44.97116
"180274"	166.963518	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+2Na"	45.978436
"626768"	238.950668	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+2Na"	45.978436
"1130398"	94.976368	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2Na"	45.978436
"1412703"	63.6533373333333	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H+2Na"	46.985712
"1444089"	190.987046	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H+HCOOH"	47.012746
"225400"	171.99654	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+3H2O+2H"	56.04448
"1520023"	205.03909	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+IsoProp+H"	61.06479
"419709"	174.950488	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+Na+K"	61.952376
"781798"	246.937638	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+Na+K"	61.952376
"1671572"	102.963338	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Na+K"	61.952376
"258092"	351.964368	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+ACN+Na"	64.015768
"1234082"	207.990068	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+ACN+Na"	64.015768
"1714219"	208.013593	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+NH4+HCOOH"	64.039293
"1181760"	70.9806513333333	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+3Na"	68.967654
"1654932"	212.968988	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Na+HCOOH"	68.994688
"159610"	364.86764	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+2K-H"	76.91904
"602453"	508.84194	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+2K-H"	76.91904
"1086961"	220.89334	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2K-H"	76.91904
"149244"	182.937458	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"2M+2K"	77.926316
"584793"	254.924608	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"3M+2K"	77.926316
"1071493"	110.950308	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2K"	77.926316
"1104338"	222.907892	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2K+H"	78.933592
"1345480"	222.995507	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+DMSO+H"	79.021207
"1015832"	227.034676	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2ACN+H"	83.060376
"1536510"	228.028308	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+IsoProp+Na+H"	84.054008
"999311"	114.020976	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+2ACN+2H"	84.067652
"1597095"	228.942928	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+K+HCOOH"	84.968628
"1426765"	258.974438	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+H+CF3COOH"	115.000138
"1156327"	134.534251	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+3ACN+2H"	125.094202
"1709158"	276.000985	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+NH4+CF3COOH"	132.026685
"1642620"	280.95638	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+Na+CF3COOH"	136.98208
"1571315"	296.93032	"C18399"	"Ethephon"	"C2H6ClO3P"	"143.9743"	"M+K+CF3COOH"	152.95602
"804261"	274.0285	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M"	0
"981073"	255.01011	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-H2O-H"	-19.01839
"73690"	181.678390666667	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M-3H"	-3.021828
"516530"	273.021224	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M-3H"	-3.021828
"891052"	90.3355573333333	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-3H"	-3.021828
"12909"	273.021224	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M-2H"	-2.014552
"453563"	410.035474	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M-2H"	-2.014552
"829176"	136.006974	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-2H"	-2.014552
"89170"	547.049724	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M-H"	-1.007276
"525456"	821.078224	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M-H"	-1.007276
"902165"	273.021224	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-H"	-1.007276
"59094"	564.076271	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M-2H+NH4"	16.019271
"495009"	838.104771	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M-2H+NH4"	16.019271
"872810"	290.047771	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-2H+NH4"	16.019271
"32811"	569.031666	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M-2H+Na"	20.974666
"472734"	843.060166	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M-2H+Na"	20.974666
"850415"	295.003166	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-2H+Na"	20.974666
"1620073"	295.003166	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Na-2H"	20.974666
"95386"	291.009563	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M-H+Cl"	33.962126
"538230"	428.023813	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M-H+Cl"	33.962126
"931745"	153.995313	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-H+Cl"	33.962126
"270300"	583.026402	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+Cl"	34.969402
"673679"	857.054902	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+Cl"	34.969402
"1288265"	308.997902	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Cl"	34.969402
"31146"	585.005606	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M-2H+K"	36.948606
"471109"	859.034106	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M-2H+K"	36.948606
"847086"	310.977106	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-2H+K"	36.948606
"1569476"	310.977106	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+K-2H"	36.948606
"957282"	319.026694	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-H+HCOOH"	44.998194
"370117"	593.055201	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+HCOOH-H"	44.998201
"359341"	607.070851	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+Hac-H"	59.013851
"1503562"	333.042351	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Hac-H"	59.013851
"970369"	341.008651	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-H+NaCOOH"	66.980151
"121463"	308.997902	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+2Cl"	69.938804
"558840"	446.012152	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+2Cl"	69.938804
"1033839"	171.983652	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2Cl"	69.938804
"1254873"	352.947385	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Br"	78.918885
"1317324"	355.003372	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Cl+HCOOH"	80.974872
"1334090"	376.985329	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Cl+NaCOOH"	102.956829
"924781"	387.014086	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M-H+CF3COOH"	112.985586
"1299302"	422.990764	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Cl+CF3COOH"	148.962264
"1375276"	239.015824	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H-2H2O"	-35.012676
"1386211"	257.0258	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H-H2O"	-17.0027
"289177"	549.064276	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+H"	1.007276
"682690"	823.092776	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+H"	1.007276
"1354666"	275.035776	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H"	1.007276
"133020"	275.035776	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+2H"	2.014552
"568206"	412.050026	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+2H"	2.014552
"1041380"	138.021526	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2H"	2.014552
"208188"	183.692942666667	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+3H"	3.021828
"648848"	275.035776	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+3H"	3.021828
"1172444"	92.3501093333334	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+3H"	3.021828
"433531"	566.090823	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+NH4"	18.033823
"794526"	840.119323	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+NH4"	18.033823
"1688671"	292.062323	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+NH4"	18.033823
"335125"	283.5490495	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+H+NH4"	19.041099
"729732"	420.5632995	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+H+NH4"	19.041099
"1477842"	146.5347995	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H+NH4"	19.041099
"396401"	571.046218	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+Na"	22.989218
"755209"	845.074718	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+Na"	22.989218
"1610964"	297.017718	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Na"	22.989218
"324283"	286.026747	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+H+Na"	23.996494
"718892"	423.040997	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+H+Na"	23.996494
"1471616"	149.012497	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H+Na"	23.996494
"1055748"	99.6774233333333	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2H+Na"	25.00377
"1262166"	307.061986	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+CH3OH+H"	33.033486
"390589"	587.020158	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+K"	38.963158
"748302"	861.048658	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+K"	38.963158
"1552543"	312.991658	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+K"	38.963158
"305344"	294.013717	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+H+K"	39.970434
"703234"	431.027967	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+H+K"	39.970434
"1453772"	156.999467	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H+K"	39.970434
"241282"	590.090826	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+ACN+H"	42.033826
"1213991"	316.062326	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+ACN+H"	42.033826
"1198967"	158.534801	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+ACN+2H"	43.041102
"189646"	593.02816	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+2Na-H"	44.97116
"629084"	867.05666	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+2Na-H"	44.97116
"1138188"	318.99966	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2Na-H"	44.97116
"180384"	297.017718	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+2Na"	45.978436
"627244"	434.031968	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+2Na"	45.978436
"1130630"	160.003468	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2Na"	45.978436
"1412451"	107.004737333333	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H+2Na"	46.985712
"1443837"	321.041246	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H+HCOOH"	47.012746
"229884"	302.05074	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+3H2O+2H"	56.04448
"1516854"	335.09329	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+IsoProp+H"	61.06479
"422738"	305.004688	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+Na+K"	61.952376
"783001"	442.018938	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+Na+K"	61.952376
"1674963"	167.990438	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Na+K"	61.952376
"257109"	612.072768	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+ACN+Na"	64.015768
"1234192"	338.044268	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+ACN+Na"	64.015768
"1714693"	338.067793	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+NH4+HCOOH"	64.039293
"1182963"	114.332051333333	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+3Na"	68.967654
"1657228"	343.023188	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Na+HCOOH"	68.994688
"158869"	624.97604	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+2K-H"	76.91904
"599525"	899.00454	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+2K-H"	76.91904
"1086099"	350.94754	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2K-H"	76.91904
"146074"	312.991658	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"2M+2K"	77.926316
"583446"	450.005908	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"3M+2K"	77.926316
"1070874"	175.977408	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2K"	77.926316
"1105543"	352.962092	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2K+H"	78.933592
"1348505"	353.049707	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+DMSO+H"	79.021207
"1017401"	357.088876	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2ACN+H"	83.060376
"1537713"	358.082508	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+IsoProp+Na+H"	84.054008
"997234"	179.048076	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+2ACN+2H"	84.067652
"1597205"	358.997128	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+K+HCOOH"	84.968628
"1423958"	389.028638	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+H+CF3COOH"	115.000138
"1156437"	199.561351	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+3ACN+2H"	125.094202
"1708175"	406.055185	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+NH4+CF3COOH"	132.026685
"1642730"	411.01058	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+Na+CF3COOH"	136.98208
"1571371"	426.98452	"C18400"	"Disulfoton;Ethylthiometon"	"C8H19O2PS3"	"274.0285"	"M+K+CF3COOH"	152.95602
"803277"	110.0133	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M"	0
"977903"	90.99491	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-H2O-H"	-19.01839
"67239"	72.334924	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M-3H"	-3.021828
"516640"	109.006024	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M-3H"	-3.021828
"892254"	35.663824	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-3H"	-3.021828
"13019"	109.006024	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M-2H"	-2.014552
"453673"	164.012674	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M-2H"	-2.014552
"829286"	53.999374	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-2H"	-2.014552
"89280"	219.019324	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M-H"	-1.007276
"524473"	329.032624	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M-H"	-1.007276
"902275"	109.006024	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-H"	-1.007276
"58842"	236.045871	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M-2H+NH4"	16.019271
"495119"	346.059171	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M-2H+NH4"	16.019271
"875107"	126.032571	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-2H+NH4"	16.019271
"33166"	241.001266	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M-2H+Na"	20.974666
"472723"	351.014566	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M-2H+Na"	20.974666
"850159"	130.987966	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-2H+Na"	20.974666
"1623338"	130.987966	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Na-2H"	20.974666
"106427"	126.994363	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M-H+Cl"	33.962126
"538340"	182.001013	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M-H+Cl"	33.962126
"931855"	71.987713	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-H+Cl"	33.962126
"272596"	254.996002	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+Cl"	34.969402
"674024"	365.009302	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+Cl"	34.969402
"1285088"	144.982702	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Cl"	34.969402
"31400"	256.975206	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M-2H+K"	36.948606
"471103"	366.988506	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M-2H+K"	36.948606
"847197"	146.961906	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-2H+K"	36.948606
"1569586"	146.961906	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+K-2H"	36.948606
"957352"	155.011494	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-H+HCOOH"	44.998194
"373498"	265.024801	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+HCOOH-H"	44.998201
"357386"	279.040451	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+Hac-H"	59.013851
"1502942"	169.027151	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Hac-H"	59.013851
"969386"	176.993451	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-H+NaCOOH"	66.980151
"121210"	144.982702	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+2Cl"	69.938804
"560043"	199.989352	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+2Cl"	69.938804
"1029934"	89.976052	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2Cl"	69.938804
"1256969"	188.932185	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Br"	78.918885
"1318159"	190.988172	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Cl+HCOOH"	80.974872
"1335093"	212.970129	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Cl+NaCOOH"	102.956829
"921611"	222.998886	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M-H+CF3COOH"	112.985586
"1300506"	258.975564	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Cl+CF3COOH"	148.962264
"1375386"	75.000624	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H-2H2O"	-35.012676
"1385228"	93.0106	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H-H2O"	-17.0027
"286007"	221.033876	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+H"	1.007276
"681706"	331.047176	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+H"	1.007276
"1354775"	111.020576	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H"	1.007276
"130943"	111.020576	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+2H"	2.014552
"567951"	166.027226	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+2H"	2.014552
"1041488"	56.013926	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2H"	2.014552
"205867"	74.349476	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+3H"	3.021828
"648958"	111.020576	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+3H"	3.021828
"1172554"	37.678376	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+3H"	3.021828
"433641"	238.060423	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+NH4"	18.033823
"794636"	348.073723	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+NH4"	18.033823
"1688781"	128.047123	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+NH4"	18.033823
"335235"	119.5338495	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+H+NH4"	19.041099
"731665"	174.5404995	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+H+NH4"	19.041099
"1477831"	64.5271995	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H+NH4"	19.041099
"395416"	243.015818	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+Na"	22.989218
"756047"	353.029118	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+Na"	22.989218
"1611074"	133.002518	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Na"	22.989218
"323300"	122.011547	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+H+Na"	23.996494
"716815"	177.018197	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+H+Na"	23.996494
"1468446"	67.004897	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H+Na"	23.996494
"1056222"	45.00569	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2H+Na"	25.00377
"1262276"	143.046786	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+CH3OH+H"	33.033486
"385229"	258.989758	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+K"	38.963158
"748412"	369.003058	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+K"	38.963158
"1544997"	148.976458	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+K"	38.963158
"301443"	129.998517	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+H+K"	39.970434
"695685"	185.005167	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+H+K"	39.970434
"1451691"	74.991867	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H+K"	39.970434
"243575"	262.060426	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+ACN+H"	42.033826
"1214099"	152.047126	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+ACN+H"	42.033826
"1197981"	76.527201	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+ACN+2H"	43.041102
"197412"	264.99776	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+2Na-H"	44.97116
"630043"	375.01106	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+2Na-H"	44.97116
"1131414"	154.98446	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2Na-H"	44.97116
"172992"	133.002518	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+2Na"	45.978436
"626623"	188.009168	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+2Na"	45.978436
"1129034"	77.995868	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2Na"	45.978436
"1411468"	52.333004	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H+2Na"	46.985712
"1442853"	157.026046	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H+HCOOH"	47.012746
"234005"	138.03554	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+3H2O+2H"	56.04448
"1520973"	171.07809	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+IsoProp+H"	61.06479
"422482"	140.989488	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+Na+K"	61.952376
"782383"	195.996138	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+Na+K"	61.952376
"1673979"	85.982838	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Na+K"	61.952376
"256125"	284.042368	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+ACN+Na"	64.015768
"1231020"	174.029068	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+ACN+Na"	64.015768
"1718812"	174.052593	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+NH4+HCOOH"	64.039293
"1180886"	59.660318	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+3Na"	68.967654
"1651505"	179.007988	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Na+HCOOH"	68.994688
"161287"	296.94564	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+2K-H"	76.91904
"602672"	406.95894	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+2K-H"	76.91904
"1086088"	186.93234	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2K-H"	76.91904
"143997"	148.976458	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"2M+2K"	77.926316
"583555"	203.983108	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"3M+2K"	77.926316
"1069766"	93.969808	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2K"	77.926316
"1105653"	188.946892	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2K+H"	78.933592
"1347522"	189.034507	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+DMSO+H"	79.021207
"1016782"	193.073676	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2ACN+H"	83.060376
"1536001"	194.067308	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+IsoProp+Na+H"	84.054008
"999531"	97.040476	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+2ACN+2H"	84.067652
"1597315"	194.981928	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+K+HCOOH"	84.968628
"1425161"	225.013438	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+H+CF3COOH"	115.000138
"1159463"	117.553751	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+3ACN+2H"	125.094202
"1708286"	242.039985	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+NH4+CF3COOH"	132.026685
"1642840"	246.99538	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+Na+CF3COOH"	136.98208
"1571930"	262.96932	"C18401"	"Fosetyl"	"C2H7O3P"	"110.0133"	"M+K+CF3COOH"	152.95602
"802294"	283.0466	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M"	0
"980200"	264.02821	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-H2O-H"	-19.01839
"68442"	187.690457333333	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M-3H"	-3.021828
"516629"	282.039324	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M-3H"	-3.021828
"887991"	93.3415906666667	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-3H"	-3.021828
"13129"	282.039324	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M-2H"	-2.014552
"453421"	423.562624	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M-2H"	-2.014552
"827210"	140.516024	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-2H"	-2.014552
"79910"	565.085924	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M-H"	-1.007276
"524582"	848.132524	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M-H"	-1.007276
"905301"	282.039324	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-H"	-1.007276
"59800"	582.112471	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M-2H+NH4"	16.019271
"496321"	865.159071	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M-2H+NH4"	16.019271
"875217"	299.065871	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-2H+NH4"	16.019271
"32178"	587.067866	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M-2H+Na"	20.974666
"471654"	870.114466	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M-2H+Na"	20.974666
"849297"	304.021266	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-2H+Na"	20.974666
"1621260"	304.021266	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Na-2H"	20.974666
"102163"	300.027663	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M-H+Cl"	33.962126
"535527"	441.550963	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M-H+Cl"	33.962126
"933059"	158.504363	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-H+Cl"	33.962126
"274893"	601.062602	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+Cl"	34.969402
"673889"	884.109202	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+Cl"	34.969402
"1286291"	318.016002	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Cl"	34.969402
"31367"	603.041806	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M-2H+K"	36.948606
"469868"	886.088406	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M-2H+K"	36.948606
"846210"	319.995206	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-2H+K"	36.948606
"1568603"	319.995206	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+K-2H"	36.948606
"955394"	328.044794	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-H+HCOOH"	44.998194
"373608"	611.091401	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+HCOOH-H"	44.998201
"357496"	625.107051	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+Hac-H"	59.013851
"1500867"	342.060451	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Hac-H"	59.013851
"970589"	350.026751	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-H+NaCOOH"	66.980151
"120956"	318.016002	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+2Cl"	69.938804
"559060"	459.539302	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+2Cl"	69.938804
"1029316"	176.492702	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2Cl"	69.938804
"1256998"	361.965485	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Br"	78.918885
"1318269"	364.021472	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Cl+HCOOH"	80.974872
"1334921"	386.003429	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Cl+NaCOOH"	102.956829
"925001"	396.032186	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M-H+CF3COOH"	112.985586
"1301710"	432.008864	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Cl+CF3COOH"	148.962264
"1375496"	248.033924	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H-2H2O"	-35.012676
"1386431"	266.0439	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H-H2O"	-17.0027
"286117"	567.100476	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+H"	1.007276
"682909"	850.147076	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+H"	1.007276
"1354885"	284.053876	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H"	1.007276
"133240"	284.053876	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+2H"	2.014552
"570613"	425.577176	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+2H"	2.014552
"1043784"	142.530576	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2H"	2.014552
"208769"	189.705009333333	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+3H"	3.021828
"652348"	284.053876	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+3H"	3.021828
"1174851"	95.3561426666667	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+3H"	3.021828
"433751"	584.127023	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+NH4"	18.033823
"795840"	867.173623	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+NH4"	18.033823
"1689985"	301.080423	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+NH4"	18.033823
"338262"	292.5671495	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+H+NH4"	19.041099
"726672"	434.0904495	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+H+NH4"	19.041099
"1482313"	151.0438495	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H+NH4"	19.041099
"395523"	589.082418	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+Na"	22.989218
"756157"	872.129018	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+Na"	22.989218
"1611184"	306.035818	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Na"	22.989218
"322317"	295.044847	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+H+Na"	23.996494
"715832"	436.568147	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+H+Na"	23.996494
"1468556"	153.521547	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H+Na"	23.996494
"1058520"	102.683456666667	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2H+Na"	25.00377
"1264573"	316.080086	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+CH3OH+H"	33.033486
"383152"	605.056358	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+K"	38.963158
"745241"	888.102958	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+K"	38.963158
"1542919"	322.009758	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+K"	38.963158
"302282"	303.031817	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+H+K"	39.970434
"695795"	444.555117	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+H+K"	39.970434
"1455082"	161.508517	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H+K"	39.970434
"244778"	608.127026	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+ACN+H"	42.033826
"1216396"	325.080426	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+ACN+H"	42.033826
"1202465"	163.043851	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+ACN+2H"	43.041102
"200802"	611.06436	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+2Na-H"	44.97116
"629427"	894.11096	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+2Na-H"	44.97116
"1132573"	328.01776	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2Na-H"	44.97116
"173674"	306.035818	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+2Na"	45.978436
"626367"	447.559118	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+2Na"	45.978436
"1128780"	164.512518	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2Na"	45.978436
"1413398"	110.010770666667	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H+2Na"	46.985712
"1443693"	330.059346	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H+HCOOH"	47.012746
"233021"	311.06884	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+3H2O+2H"	56.04448
"1517074"	344.11139	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+IsoProp+H"	61.06479
"423768"	314.022788	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+Na+K"	61.952376
"784315"	455.546088	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+Na+K"	61.952376
"1676277"	172.499488	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Na+K"	61.952376
"258423"	630.108968	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+ACN+Na"	64.015768
"1234412"	347.062368	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+ACN+Na"	64.015768
"1722203"	347.085893	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+NH4+HCOOH"	64.039293
"1182090"	117.338084666667	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+3Na"	68.967654
"1656356"	352.041288	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Na+HCOOH"	68.994688
"160304"	643.01224	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+2K-H"	76.91904
"600596"	926.05884	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+2K-H"	76.91904
"1087291"	359.96564	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2K-H"	76.91904
"143135"	322.009758	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"2M+2K"	77.926316
"583665"	463.533058	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"3M+2K"	77.926316
"1070729"	180.486458	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2K"	77.926316
"1103576"	361.980192	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2K+H"	78.933592
"1347632"	362.067807	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+DMSO+H"	79.021207
"1017621"	366.106976	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2ACN+H"	83.060376
"1536840"	367.100608	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+IsoProp+Na+H"	84.054008
"1001100"	183.557126	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+2ACN+2H"	84.067652
"1597425"	368.015228	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+K+HCOOH"	84.968628
"1425271"	398.046738	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+H+CF3COOH"	115.000138
"1155564"	204.070401	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+3ACN+2H"	125.094202
"1708396"	415.073285	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+NH4+CF3COOH"	132.026685
"1639670"	420.02868	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+Na+CF3COOH"	136.98208
"1573133"	436.00262	"C18402"	"Fosthiazate"	"C9H18NO3PS2"	"283.0466"	"M+K+CF3COOH"	152.95602
"803497"	305.0963	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M"	0
"980310"	286.07791	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-H2O-H"	-19.01839
"68552"	202.390257333333	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M-3H"	-3.021828
"516860"	304.089024	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M-3H"	-3.021828
"889194"	100.691490666667	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-3H"	-3.021828
"13239"	304.089024	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M-2H"	-2.014552
"454503"	456.637174	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M-2H"	-2.014552
"827320"	151.540874	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-2H"	-2.014552
"82207"	609.185324	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M-H"	-1.007276
"521411"	914.281624	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M-H"	-1.007276
"903588"	304.089024	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-H"	-1.007276
"59056"	626.211871	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M-2H+NH4"	16.019271
"495337"	931.308171	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M-2H+NH4"	16.019271
"875326"	321.115571	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-2H+NH4"	16.019271
"32775"	631.167266	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M-2H+Na"	20.974666
"471685"	936.263566	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M-2H+Na"	20.974666
"850865"	326.070966	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-2H+Na"	20.974666
"1621372"	326.070966	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Na-2H"	20.974666
"101179"	322.077363	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M-H+Cl"	33.962126
"536365"	474.625513	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M-H+Cl"	33.962126
"932072"	169.529213	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-H+Cl"	33.962126
"273909"	645.162002	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+Cl"	34.969402
"672529"	950.258302	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+Cl"	34.969402
"1282744"	340.065702	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Cl"	34.969402
"26760"	647.141206	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M-2H+K"	36.948606
"466319"	952.237506	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M-2H+K"	36.948606
"840844"	342.044906	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-2H+K"	36.948606
"1569077"	342.044906	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+K-2H"	36.948606
"955139"	350.094494	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-H+HCOOH"	44.998194
"373718"	655.190801	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+HCOOH-H"	44.998201
"359426"	669.206451	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+Hac-H"	59.013851
"1503517"	364.110151	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Hac-H"	59.013851
"971793"	372.076451	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-H+NaCOOH"	66.980151
"122522"	340.065702	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+2Cl"	69.938804
"563178"	492.613852	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+2Cl"	69.938804
"1032340"	187.517552	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2Cl"	69.938804
"1246451"	384.015185	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Br"	78.918885
"1319435"	386.071172	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Cl+HCOOH"	80.974872
"1326396"	408.053129	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Cl+NaCOOH"	102.956829
"918548"	418.081886	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M-H+CF3COOH"	112.985586
"1303644"	454.058564	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Cl+CF3COOH"	148.962264
"1375606"	270.083624	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H-2H2O"	-35.012676
"1387634"	288.0936	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H-H2O"	-17.0027
"288413"	611.199876	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+H"	1.007276
"681196"	916.296176	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+H"	1.007276
"1354995"	306.103576	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H"	1.007276
"131163"	306.103576	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+2H"	2.014552
"571817"	458.651726	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+2H"	2.014552
"1043894"	153.555426	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2H"	2.014552
"208517"	204.404809333333	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+3H"	3.021828
"653551"	306.103576	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+3H"	3.021828
"1174961"	102.706042666667	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+3H"	3.021828
"432766"	628.226423	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+NH4"	18.033823
"798136"	933.322723	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+NH4"	18.033823
"1692281"	323.130123	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+NH4"	18.033823
"340558"	314.6168495	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+H+NH4"	19.041099
"725689"	467.1649995	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+H+NH4"	19.041099
"1482423"	162.0686995	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H+NH4"	19.041099
"394541"	633.181818	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+Na"	22.989218
"756631"	938.278118	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+Na"	22.989218
"1611294"	328.085518	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Na"	22.989218
"323520"	317.094547	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+H+Na"	23.996494
"720562"	469.642697	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+H+Na"	23.996494
"1470855"	164.546397	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H+Na"	23.996494
"1060817"	110.033356666667	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2H+Na"	25.00377
"1264683"	338.129786	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+CH3OH+H"	33.033486
"387631"	649.155758	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+K"	38.963158
"749721"	954.252058	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+K"	38.963158
"1544122"	344.059458	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+K"	38.963158
"304578"	325.081517	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+H+K"	39.970434
"698093"	477.629667	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+H+K"	39.970434
"1455191"	172.533367	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H+K"	39.970434
"245982"	652.226426	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+ACN+H"	42.033826
"1218693"	347.130126	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+ACN+H"	42.033826
"1205856"	174.068701	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+ACN+2H"	43.041102
"199819"	655.16376	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+2Na-H"	44.97116
"629656"	960.26006	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+2Na-H"	44.97116
"1132312"	350.06746	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2Na-H"	44.97116
"173703"	328.085518	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+2Na"	45.978436
"622467"	480.633668	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+2Na"	45.978436
"1129253"	175.537368	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2Na"	45.978436
"1413266"	117.360670666667	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H+2Na"	46.985712
"1445019"	352.109046	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H+HCOOH"	47.012746
"234589"	333.11854	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+3H2O+2H"	56.04448
"1518277"	366.16109	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+IsoProp+H"	61.06479
"423431"	336.072488	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+Na+K"	61.952376
"784425"	488.620638	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+Na+K"	61.952376
"1675294"	183.524338	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Na+K"	61.952376
"260719"	674.208368	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+ACN+Na"	64.015768
"1236708"	369.112068	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+ACN+Na"	64.015768
"1721220"	369.135593	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+NH4+HCOOH"	64.039293
"1182201"	124.687984666667	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+3Na"	68.967654
"1657561"	374.090988	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Na+HCOOH"	68.994688
"161507"	687.11164	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+2K-H"	76.91904
"602892"	992.20794	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+2K-H"	76.91904
"1086308"	382.01534	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2K-H"	76.91904
"143488"	344.059458	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"2M+2K"	77.926316
"584139"	496.607608	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"3M+2K"	77.926316
"1071206"	191.511308	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2K"	77.926316
"1102593"	384.029892	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2K+H"	78.933592
"1347011"	384.117507	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+DMSO+H"	79.021207
"1017731"	388.156676	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2ACN+H"	83.060376
"1534763"	389.150308	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+IsoProp+Na+H"	84.054008
"1000481"	194.581976	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+2ACN+2H"	84.067652
"1599359"	390.064928	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+K+HCOOH"	84.968628
"1427567"	420.096438	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+H+CF3COOH"	115.000138
"1155674"	215.095251	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+3ACN+2H"	125.094202
"1708506"	437.122985	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+NH4+CF3COOH"	132.026685
"1648528"	442.07838	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+Na+CF3COOH"	136.98208
"1580898"	458.05232	"C18403"	"Pirimiphos-methyl;Pirimiphosmethyl"	"C11H20N3O3PS"	"305.0963"	"M+K+CF3COOH"	152.95602
"802513"	371.9351	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M"	0
"978233"	352.91671	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-H2O-H"	-19.01839
"67569"	246.949457333333	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M-3H"	-3.021828
"507129"	370.927824	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M-3H"	-3.021828
"882743"	122.971090666667	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-3H"	-3.021828
"13349"	370.927824	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M-2H"	-2.014552
"455098"	556.895374	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M-2H"	-2.014552
"827430"	184.960274	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-2H"	-2.014552
"79887"	742.862924	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M-H"	-1.007276
"521521"	1114.798024	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M-H"	-1.007276
"903698"	370.927824	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-H"	-1.007276
"58073"	759.889471	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M-2H+NH4"	16.019271
"494354"	1131.824571	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M-2H+NH4"	16.019271
"872156"	387.954371	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-2H+NH4"	16.019271
"33369"	764.844866	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M-2H+Na"	20.974666
"473176"	1136.779966	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M-2H+Na"	20.974666
"849515"	392.909766	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-2H+Na"	20.974666
"1620144"	392.909766	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Na-2H"	20.974666
"99104"	388.916163	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M-H+Cl"	33.962126
"535387"	574.883713	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M-H+Cl"	33.962126
"935463"	202.948613	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-H+Cl"	33.962126
"274019"	778.839602	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+Cl"	34.969402
"671909"	1150.774702	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+Cl"	34.969402
"1283218"	406.904502	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Cl"	34.969402
"27963"	780.818806	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M-2H+K"	36.948606
"467521"	1152.753906	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M-2H+K"	36.948606
"843137"	408.883706	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-2H+K"	36.948606
"1567728"	408.883706	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+K-2H"	36.948606
"954519"	416.933294	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-H+HCOOH"	44.998194
"370912"	788.868401	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+HCOOH-H"	44.998201
"353336"	802.884051	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+Hac-H"	59.013851
"1507764"	430.948951	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Hac-H"	59.013851
"971540"	438.915251	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-H+NaCOOH"	66.980151
"119716"	406.904502	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+2Cl"	69.938804
"562558"	592.872052	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+2Cl"	69.938804
"1032086"	220.936952	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2Cl"	69.938804
"1246561"	450.853985	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Br"	78.918885
"1318125"	452.909972	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Cl+HCOOH"	80.974872
"1333067"	474.891929	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Cl+NaCOOH"	102.956829
"917563"	484.920686	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M-H+CF3COOH"	112.985586
"1297551"	520.897364	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Cl+CF3COOH"	148.962264
"1375716"	336.922424	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H-2H2O"	-35.012676
"1388837"	354.9324	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H-H2O"	-17.0027
"289616"	744.877476	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+H"	1.007276
"677662"	1116.812576	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+H"	1.007276
"1354375"	372.942376	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H"	1.007276
"127993"	372.942376	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+2H"	2.014552
"568647"	558.909926	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+2H"	2.014552
"1041816"	186.974826	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2H"	2.014552
"207531"	248.964009333333	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+3H"	3.021828
"651474"	372.942376	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+3H"	3.021828
"1173978"	124.985642666667	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+3H"	3.021828
"429960"	761.904023	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+NH4"	18.033823
"794966"	1133.839123	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+NH4"	18.033823
"1689110"	389.968923	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+NH4"	18.033823
"338482"	381.4556495	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+H+NH4"	19.041099
"724338"	567.4231995	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+H+NH4"	19.041099
"1480711"	195.4880995	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H+NH4"	19.041099
"395016"	766.859418	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+Na"	22.989218
"756012"	1138.794518	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+Na"	22.989218
"1611404"	394.924318	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Na"	22.989218
"319256"	383.933347	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+H+Na"	23.996494
"719333"	569.900897	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+H+Na"	23.996494
"1467684"	197.965797	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H+Na"	23.996494
"1057647"	132.312956666667	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2H+Na"	25.00377
"1262607"	404.968586	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+CH3OH+H"	33.033486
"383368"	782.833358	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+K"	38.963158
"748738"	1154.768458	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+K"	38.963158
"1543139"	410.898258	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+K"	38.963158
"302502"	391.920317	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+H+K"	39.970434
"694923"	577.887867	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+H+K"	39.970434
"1453115"	205.952767	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H+K"	39.970434
"243905"	785.904026	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+ACN+H"	42.033826
"1213336"	413.968926	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+ACN+H"	42.033826
"1200499"	207.488101	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+ACN+2H"	43.041102
"196649"	788.84136	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+2Na-H"	44.97116
"629768"	1160.77646	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+2Na-H"	44.97116
"1131936"	416.90626	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2Na-H"	44.97116
"173402"	394.924318	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+2Na"	45.978436
"622577"	580.891868	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+2Na"	45.978436
"1128999"	208.956768	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2Na"	45.978436
"1413092"	139.640270666667	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H+2Na"	46.985712
"1445535"	418.947846	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H+HCOOH"	47.012746
"232512"	399.95734	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+3H2O+2H"	56.04448
"1518387"	432.99989	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+IsoProp+H"	61.06479
"423420"	402.911288	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+Na+K"	61.952376
"784414"	588.878838	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+Na+K"	61.952376
"1676492"	216.943738	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Na+K"	61.952376
"261919"	807.885968	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+ACN+Na"	64.015768
"1236818"	435.950868	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+ACN+Na"	64.015768
"1721330"	435.974393	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+NH4+HCOOH"	64.039293
"1187777"	146.967584666667	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+3Na"	68.967654
"1654391"	440.929788	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Na+HCOOH"	68.994688
"162347"	820.78924	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+2K-H"	76.91904
"602637"	1192.72434	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+2K-H"	76.91904
"1085323"	448.85414	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2K-H"	76.91904
"145418"	410.898258	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"2M+2K"	77.926316
"583883"	596.865808	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"3M+2K"	77.926316
"1070952"	224.930708	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2K"	77.926316
"1103796"	450.868692	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2K+H"	78.933592
"1346392"	450.956307	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+DMSO+H"	79.021207
"1019301"	454.995476	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2ACN+H"	83.060376
"1535604"	455.989108	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+IsoProp+Na+H"	84.054008
"1003509"	228.001376	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+2ACN+2H"	84.067652
"1599834"	456.903728	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+K+HCOOH"	84.968628
"1427677"	486.935238	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+H+CF3COOH"	115.000138
"1159064"	248.514651	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+3ACN+2H"	125.094202
"1709709"	503.961785	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+NH4+CF3COOH"	132.026685
"1648638"	508.91718	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+Na+CF3COOH"	136.98208
"1581008"	524.89112	"C18404"	"Profenofos"	"C11H15BrClO3PS"	"371.9351"	"M+K+CF3COOH"	152.95602
"802259"	343.9628	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M"	0
"983810"	324.94441	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-H2O-H"	-19.01839
"74240"	228.301257333333	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M-3H"	-3.021828
"507239"	342.955524	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M-3H"	-3.021828
"882488"	113.646990666667	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-3H"	-3.021828
"15241"	342.955524	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M-2H"	-2.014552
"454112"	514.936924	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M-2H"	-2.014552
"827540"	170.974124	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-2H"	-2.014552
"78601"	686.918324	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M-H"	-1.007276
"522724"	1030.881124	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M-H"	-1.007276
"899433"	342.955524	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-H"	-1.007276
"60006"	703.944871	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M-2H+NH4"	16.019271
"500294"	1047.907671	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M-2H+NH4"	16.019271
"872266"	359.982071	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-2H+NH4"	16.019271
"34697"	708.900266	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M-2H+Na"	20.974666
"474259"	1052.863066	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M-2H+Na"	20.974666
"850966"	364.937466	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-2H+Na"	20.974666
"1622685"	364.937466	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Na-2H"	20.974666
"100308"	360.943863	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M-H+Cl"	33.962126
"536590"	532.925263	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M-H+Cl"	33.962126
"932659"	188.962463	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-H+Cl"	33.962126
"271943"	722.895002	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+Cl"	34.969402
"666554"	1066.857802	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+Cl"	34.969402
"1279320"	378.932202	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Cl"	34.969402
"23701"	724.874206	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M-2H+K"	36.948606
"466540"	1068.837006	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M-2H+K"	36.948606
"841064"	380.911406	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-2H+K"	36.948606
"1563465"	380.911406	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+K-2H"	36.948606
"952442"	388.960994	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-H+HCOOH"	44.998194
"368470"	732.923801	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+HCOOH-H"	44.998201
"352351"	746.939451	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+Hac-H"	59.013851
"1504832"	402.976651	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Hac-H"	59.013851
"970558"	410.942951	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-H+NaCOOH"	66.980151
"123838"	378.932202	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+2Cl"	69.938804
"559390"	550.913602	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+2Cl"	69.938804
"1029280"	206.950802	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2Cl"	69.938804
"1248857"	422.881685	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Br"	78.918885
"1316776"	424.937672	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Cl+HCOOH"	80.974872
"1331720"	446.919629	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Cl+NaCOOH"	102.956829
"916580"	456.948386	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M-H+CF3COOH"	112.985586
"1294381"	492.925064	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Cl+CF3COOH"	148.962264
"1369266"	308.950124	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H-2H2O"	-35.012676
"1384938"	326.9601	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H-H2O"	-17.0027
"285716"	688.932876	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+H"	1.007276
"677041"	1032.895676	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+H"	1.007276
"1354118"	344.970076	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H"	1.007276
"129196"	344.970076	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+2H"	2.014552
"567662"	516.951476	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+2H"	2.014552
"1039739"	172.988676	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2H"	2.014552
"207641"	230.315809333333	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+3H"	3.021828
"648302"	344.970076	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+3H"	3.021828
"1175182"	115.661542666667	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+3H"	3.021828
"431893"	705.959423	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+NH4"	18.033823
"796169"	1049.922223	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+NH4"	18.033823
"1689220"	361.996623	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+NH4"	18.033823
"336770"	353.4833495	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+H+NH4"	19.041099
"728096"	525.4647495	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+H+NH4"	19.041099
"1480091"	181.5019495	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H+NH4"	19.041099
"395855"	710.914818	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+Na"	22.989218
"755393"	1054.877618	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+Na"	22.989218
"1608234"	366.952018	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Na"	22.989218
"320459"	355.961047	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+H+Na"	23.996494
"718349"	527.942447	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+H+Na"	23.996494
"1465971"	183.979647	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H+Na"	23.996494
"1059214"	122.988856666667	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2H+Na"	25.00377
"1263080"	376.996286	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+CH3OH+H"	33.033486
"384572"	726.888758	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+K"	38.963158
"747756"	1070.851558	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+K"	38.963158
"1543249"	382.925958	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+K"	38.963158
"302612"	363.948017	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+H+K"	39.970434
"695033"	535.929417	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+H+K"	39.970434
"1453225"	191.966617	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H+K"	39.970434
"246204"	729.959426	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+ACN+H"	42.033826
"1218912"	385.996626	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+ACN+H"	42.033826
"1196236"	193.501951	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+ACN+2H"	43.041102
"196759"	732.89676	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+2Na-H"	44.97116
"628907"	1076.85956	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+2Na-H"	44.97116
"1131559"	388.93396	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2Na-H"	44.97116
"173274"	366.952018	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+2Na"	45.978436
"624874"	538.933418	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+2Na"	45.978436
"1130690"	194.970618	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2Na"	45.978436
"1411540"	130.316170666667	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H+2Na"	46.985712
"1442927"	390.975546	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H+HCOOH"	47.012746
"231529"	371.98504	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+3H2O+2H"	56.04448
"1520685"	405.02759	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+IsoProp+H"	61.06479
"422558"	374.938988	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+Na+K"	61.952376
"785337"	546.920388	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+Na+K"	61.952376
"1676601"	202.957588	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Na+K"	61.952376
"262029"	751.941368	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+ACN+Na"	64.015768
"1235835"	407.978568	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+ACN+Na"	64.015768
"1720347"	408.002093	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+NH4+HCOOH"	64.039293
"1186794"	137.643484666667	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+3Na"	68.967654
"1654501"	412.957488	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Na+HCOOH"	68.994688
"160634"	764.84464	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+2K-H"	76.91904
"603476"	1108.80744	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+2K-H"	76.91904
"1086893"	420.88184	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2K-H"	76.91904
"144074"	382.925958	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"2M+2K"	77.926316
"586183"	554.907358	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"3M+2K"	77.926316
"1070697"	210.944558	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2K"	77.926316
"1102813"	422.896392	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2K+H"	78.933592
"1348687"	422.984007	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+DMSO+H"	79.021207
"1016857"	427.023176	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2ACN+H"	83.060376
"1536804"	428.016808	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+IsoProp+Na+H"	84.054008
"1002524"	214.015226	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+2ACN+2H"	84.067652
"1601767"	428.931428	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+K+HCOOH"	84.968628
"1425600"	458.962938	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+H+CF3COOH"	115.000138
"1159174"	234.528501	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+3ACN+2H"	125.094202
"1712005"	475.989485	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+NH4+CF3COOH"	132.026685
"1649477"	480.94488	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+Na+CF3COOH"	136.98208
"1581118"	496.91882	"C18405"	"Prothiofos"	"C11H15Cl2O2PS2"	"343.9628"	"M+K+CF3COOH"	152.95602
"804921"	360.0464	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M"	0
"983920"	341.02801	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-H2O-H"	-19.01839
"73256"	239.023657333333	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M-3H"	-3.021828
"507349"	359.039124	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M-3H"	-3.021828
"884057"	119.008190666667	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-3H"	-3.021828
"14177"	359.039124	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M-2H"	-2.014552
"454952"	539.062324	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M-2H"	-2.014552
"827650"	179.015924	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-2H"	-2.014552
"86548"	719.085524	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M-H"	-1.007276
"523928"	1079.131924	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M-H"	-1.007276
"899543"	359.039124	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-H"	-1.007276
"60116"	736.112071	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M-2H+NH4"	16.019271
"500404"	1096.158471	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M-2H+NH4"	16.019271
"876752"	376.065671	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-2H+NH4"	16.019271
"41368"	741.067466	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M-2H+Na"	20.974666
"473275"	1101.113866	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M-2H+Na"	20.974666
"848888"	381.021066	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-2H+Na"	20.974666
"1620610"	381.021066	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Na-2H"	20.974666
"98232"	377.027463	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M-H+Cl"	33.962126
"535241"	557.050663	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M-H+Cl"	33.962126
"930212"	197.004263	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-H+Cl"	33.962126
"273142"	755.062202	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+Cl"	34.969402
"665563"	1115.108602	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+Cl"	34.969402
"1275417"	395.015802	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Cl"	34.969402
"23812"	757.041406	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M-2H+K"	36.948606
"460090"	1117.087806	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M-2H+K"	36.948606
"837893"	396.995006	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-2H+K"	36.948606
"1563575"	396.995006	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+K-2H"	36.948606
"952552"	405.044594	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-H+HCOOH"	44.998194
"367487"	765.091001	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+HCOOH-H"	44.998201
"351369"	779.106651	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+Hac-H"	59.013851
"1500200"	419.060251	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Hac-H"	59.013851
"973338"	427.026551	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-H+NaCOOH"	66.980151
"123949"	395.015802	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+2Cl"	69.938804
"561687"	575.039002	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+2Cl"	69.938804
"1029390"	214.992602	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2Cl"	69.938804
"1246781"	438.965285	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Br"	78.918885
"1319196"	441.021272	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Cl+HCOOH"	80.974872
"1328914"	463.003229	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Cl+NaCOOH"	102.956829
"916690"	473.031986	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M-H+CF3COOH"	112.985586
"1294492"	509.008664	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Cl+CF3COOH"	148.962264
"1368277"	325.033724	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H-2H2O"	-35.012676
"1385048"	343.0437	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H-H2O"	-17.0027
"284368"	721.100076	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+H"	1.007276
"678247"	1081.146476	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+H"	1.007276
"1352044"	361.053676	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H"	1.007276
"126754"	361.053676	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+2H"	2.014552
"566800"	541.076876	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+2H"	2.014552
"1038148"	181.030476	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2H"	2.014552
"206658"	241.038209333333	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+3H"	3.021828
"648412"	361.053676	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+3H"	3.021828
"1175292"	121.022742666667	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+3H"	3.021828
"434190"	738.126623	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+NH4"	18.033823
"796279"	1098.173023	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+NH4"	18.033823
"1690423"	378.080223	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+NH4"	18.033823
"338702"	369.5669495	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+H+NH4"	19.041099
"730393"	549.5901495	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+H+NH4"	19.041099
"1484942"	189.5437495	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H+NH4"	19.041099
"395966"	743.082018	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+Na"	22.989218
"755503"	1103.128418	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+Na"	22.989218
"1604331"	383.035618	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Na"	22.989218
"320569"	372.044647	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+H+Na"	23.996494
"717366"	552.067847	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+H+Na"	23.996494
"1465717"	192.021447	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H+Na"	23.996494
"1057137"	128.350056666667	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2H+Na"	25.00377
"1260640"	393.079886	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+CH3OH+H"	33.033486
"383589"	759.055958	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+K"	38.963158
"746772"	1119.102358	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+K"	38.963158
"1544453"	399.009558	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+K"	38.963158
"302722"	380.031617	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+H+K"	39.970434
"694050"	560.054817	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+H+K"	39.970434
"1451149"	200.008417	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H+K"	39.970434
"240847"	762.126626	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+ACN+H"	42.033826
"1213555"	402.080226	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+ACN+H"	42.033826
"1197439"	201.543751	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+ACN+2H"	43.041102
"195776"	765.06396	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+2Na-H"	44.97116
"628685"	1125.11036	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+2Na-H"	44.97116
"1131346"	405.01756	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2Na-H"	44.97116
"173174"	383.035618	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+2Na"	45.978436
"624256"	563.058818	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+2Na"	45.978436
"1130679"	203.012418	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2Na"	45.978436
"1411286"	135.677370666667	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H+2Na"	46.985712
"1445433"	407.059146	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H+HCOOH"	47.012746
"234434"	388.06864	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+3H2O+2H"	56.04448
"1522496"	421.11119	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+IsoProp+H"	61.06479
"423519"	391.022588	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+Na+K"	61.952376
"782570"	571.045788	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+Na+K"	61.952376
"1675618"	210.999388	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Na+K"	61.952376
"262140"	784.108568	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+ACN+Na"	64.015768
"1238129"	424.062168	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+ACN+Na"	64.015768
"1721547"	424.085693	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+NH4+HCOOH"	64.039293
"1182526"	143.004684666667	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+3Na"	68.967654
"1656797"	429.041088	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Na+HCOOH"	68.994688
"162564"	797.01184	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+2K-H"	76.91904
"602494"	1157.05824	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+2K-H"	76.91904
"1088827"	436.96544	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2K-H"	76.91904
"145643"	399.009558	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"2M+2K"	77.926316
"583378"	579.032758	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"3M+2K"	77.926316
"1070807"	218.986358	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2K"	77.926316
"1101830"	438.979992	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2K+H"	78.933592
"1342601"	439.067607	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+DMSO+H"	79.021207
"1010041"	443.106776	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2ACN+H"	83.060376
"1535820"	444.100408	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+IsoProp+Na+H"	84.054008
"1001175"	222.057026	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+2ACN+2H"	84.067652
"1602000"	445.015028	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+K+HCOOH"	84.968628
"1421337"	475.046538	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+H+CF3COOH"	115.000138
"1160377"	242.570301	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+3ACN+2H"	125.094202
"1711022"	492.073085	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+NH4+CF3COOH"	132.026685
"1646671"	497.02848	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+Na+CF3COOH"	136.98208
"1581228"	513.00242	"C18406"	"Pyraclofos"	"C14H18ClN2O3PS"	"360.0464"	"M+K+CF3COOH"	152.95602
"802033"	299.9544	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M"	0
"980750"	280.93601	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-H2O-H"	-19.01839
"73366"	198.962324	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M-3H"	-3.021828
"507459"	298.947124	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M-3H"	-3.021828
"881980"	98.977524	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-3H"	-3.021828
"6024"	298.947124	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M-2H"	-2.014552
"449958"	448.924324	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M-2H"	-2.014552
"825573"	148.969924	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-2H"	-2.014552
"79242"	598.901524	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M-H"	-1.007276
"521851"	898.855924	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M-H"	-1.007276
"899653"	298.947124	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-H"	-1.007276
"59133"	615.928071	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M-2H+NH4"	16.019271
"499421"	915.882471	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M-2H+NH4"	16.019271
"871389"	315.973671	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-2H+NH4"	16.019271
"41478"	620.883466	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M-2H+Na"	20.974666
"473385"	920.837866	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M-2H+Na"	20.974666
"849365"	320.929066	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-2H+Na"	20.974666
"1620719"	320.929066	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Na-2H"	20.974666
"102714"	316.935463	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M-H+Cl"	33.962126
"536080"	466.912663	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M-H+Cl"	33.962126
"931415"	166.958263	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-H+Cl"	33.962126
"273252"	634.878202	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+Cl"	34.969402
"665673"	934.832602	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+Cl"	34.969402
"1276256"	334.923802	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Cl"	34.969402
"22829"	636.857406	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M-2H+K"	36.948606
"462386"	936.811806	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M-2H+K"	36.948606
"839096"	336.903006	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-2H+K"	36.948606
"1561492"	336.903006	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+K-2H"	36.948606
"952662"	344.952594	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-H+HCOOH"	44.998194
"365408"	644.907001	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+HCOOH-H"	44.998201
"351479"	658.922651	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+Hac-H"	59.013851
"1495935"	358.968251	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Hac-H"	59.013851
"967857"	366.934551	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-H+NaCOOH"	66.980151
"110024"	334.923802	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+2Cl"	69.938804
"551579"	484.901002	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+2Cl"	69.938804
"1029500"	184.946602	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2Cl"	69.938804
"1246891"	378.873285	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Br"	78.918885
"1319548"	380.929272	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Cl+HCOOH"	80.974872
"1329753"	402.911229	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Cl+NaCOOH"	102.956829
"916800"	412.939986	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M-H+CF3COOH"	112.985586
"1294602"	448.916664	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Cl+CF3COOH"	148.962264
"1367374"	264.941724	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H-2H2O"	-35.012676
"1386980"	282.9517	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H-H2O"	-17.0027
"287759"	600.916076	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+H"	1.007276
"679086"	900.870476	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+H"	1.007276
"1354341"	300.961676	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H"	1.007276
"128442"	300.961676	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+2H"	2.014552
"567881"	450.938876	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+2H"	2.014552
"1042148"	150.984476	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2H"	2.014552
"205916"	200.976876	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+3H"	3.021828
"644269"	300.961676	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+3H"	3.021828
"1175402"	100.992076	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+3H"	3.021828
"436123"	617.942623	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+NH4"	18.033823
"795297"	917.897023	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+NH4"	18.033823
"1688347"	317.988223	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+NH4"	18.033823
"336626"	309.4749495	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+H+NH4"	19.041099
"731232"	459.4521495	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+H+NH4"	19.041099
"1483593"	159.4977495	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H+NH4"	19.041099
"396440"	622.898018	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+Na"	22.989218
"755613"	922.852418	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+Na"	22.989218
"1605169"	322.943618	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Na"	22.989218
"316302"	311.952647	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+H+Na"	23.996494
"714195"	461.929847	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+H+Na"	23.996494
"1465827"	161.975447	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H+Na"	23.996494
"1057978"	108.31939	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2H+Na"	25.00377
"1264031"	332.987886	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+CH3OH+H"	33.033486
"386980"	638.871958	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+K"	38.963158
"746883"	938.826358	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+K"	38.963158
"1543470"	338.917558	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+K"	38.963158
"301740"	319.939617	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+H+K"	39.970434
"696347"	469.916817	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+H+K"	39.970434
"1450169"	169.962417	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H+K"	39.970434
"242053"	641.942626	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+ACN+H"	42.033826
"1214760"	341.988226	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+ACN+H"	42.033826
"1197551"	171.497751	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+ACN+2H"	43.041102
"194794"	644.87996	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+2Na-H"	44.97116
"628578"	944.83436	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+2Na-H"	44.97116
"1131426"	344.92556	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2Na-H"	44.97116
"173249"	322.943618	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+2Na"	45.978436
"628021"	472.920818	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+2Na"	45.978436
"1130311"	172.966418	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2Na"	45.978436
"1413473"	115.646704	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H+2Na"	46.985712
"1444492"	346.967146	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H+HCOOH"	47.012746
"235032"	327.97664	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+3H2O+2H"	56.04448
"1521392"	361.01919	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+IsoProp+H"	61.06479
"422660"	330.930588	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+Na+K"	61.952376
"784264"	480.907788	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+Na+K"	61.952376
"1679622"	180.953388	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Na+K"	61.952376
"266262"	663.924568	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+ACN+Na"	64.015768
"1239821"	363.970168	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+ACN+Na"	64.015768
"1720564"	363.993693	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+NH4+HCOOH"	64.039293
"1191387"	122.974018	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+3Na"	68.967654
"1658001"	368.949088	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Na+HCOOH"	68.994688
"167048"	676.82784	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+2K-H"	76.91904
"600048"	976.78224	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+2K-H"	76.91904
"1089302"	376.87344	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2K-H"	76.91904
"145024"	338.917558	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"2M+2K"	77.926316
"583849"	488.894758	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"3M+2K"	77.926316
"1068892"	188.940358	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2K"	77.926316
"1101572"	378.887992	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2K+H"	78.933592
"1345991"	378.975607	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+DMSO+H"	79.021207
"1010151"	383.014776	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2ACN+H"	83.060376
"1535930"	384.008408	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+IsoProp+Na+H"	84.054008
"1001285"	192.011026	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+2ACN+2H"	84.067652
"1602351"	384.923028	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+K+HCOOH"	84.968628
"1422540"	414.954538	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+H+CF3COOH"	115.000138
"1160123"	212.524301	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+3ACN+2H"	125.094202
"1711132"	431.981085	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+NH4+CF3COOH"	132.026685
"1646781"	436.93648	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+Na+CF3COOH"	136.98208
"1581338"	452.91042	"C18407"	"Tolclofos-methyl"	"C9H11Cl2O3PS"	"299.9544"	"M+K+CF3COOH"	152.95602
"813889"	541.1324	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M"	0
"984140"	522.11401	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-H2O-H"	-19.01839
"73476"	359.747657333333	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M-3H"	-3.021828
"508662"	540.125124	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M-3H"	-3.021828
"883183"	179.370190666667	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-3H"	-3.021828
"6134"	540.125124	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M-2H"	-2.014552
"448975"	810.691324	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M-2H"	-2.014552
"825683"	269.558924	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-2H"	-2.014552
"79230"	1081.257524	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M-H"	-1.007276
"525241"	1622.389924	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M-H"	-1.007276
"906324"	540.125124	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-H"	-1.007276
"59606"	1098.284071	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M-2H+NH4"	16.019271
"498072"	1639.416471	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M-2H+NH4"	16.019271
"873686"	557.151671	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-2H+NH4"	16.019271
"38308"	1103.239466	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M-2H+Na"	20.974666
"472766"	1644.371866	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M-2H+Na"	20.974666
"849841"	562.107066	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-2H+Na"	20.974666
"1623017"	562.107066	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Na-2H"	20.974666
"100638"	558.113463	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M-H+Cl"	33.962126
"536920"	828.679663	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M-H+Cl"	33.962126
"930435"	287.547263	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-H+Cl"	33.962126
"272274"	1117.234202	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+Cl"	34.969402
"663963"	1658.366602	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+Cl"	34.969402
"1278191"	576.101802	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Cl"	34.969402
"26221"	1119.213406	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M-2H+K"	36.948606
"464686"	1660.345806	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M-2H+K"	36.948606
"838114"	578.081006	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-2H+K"	36.948606
"1567070"	578.081006	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+K-2H"	36.948606
"952772"	586.130594	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-H+HCOOH"	44.998194
"365517"	1127.263001	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+HCOOH-H"	44.998201
"350495"	1141.278651	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+Hac-H"	59.013851
"1497138"	600.146251	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Hac-H"	59.013851
"964686"	608.112551	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-H+NaCOOH"	66.980151
"111037"	576.101802	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+2Cl"	69.938804
"551079"	846.668002	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+2Cl"	69.938804
"1031797"	305.535602	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2Cl"	69.938804
"1253561"	620.051285	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Br"	78.918885
"1318929"	622.107272	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Cl+HCOOH"	80.974872
"1329134"	644.089229	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Cl+NaCOOH"	102.956829
"919097"	654.117986	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M-H+CF3COOH"	112.985586
"1291430"	690.094664	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Cl+CF3COOH"	148.962264
"1368497"	506.119724	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H-2H2O"	-35.012676
"1385993"	524.1297	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H-H2O"	-17.0027
"284097"	1083.272076	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+H"	1.007276
"676642"	1624.404476	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+H"	1.007276
"1352260"	542.139676	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H"	1.007276
"126246"	542.139676	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+2H"	2.014552
"567261"	812.705876	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+2H"	2.014552
"1038369"	271.573476	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2H"	2.014552
"205787"	361.762209333333	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+3H"	3.021828
"644248"	542.139676	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+3H"	3.021828
"1175512"	181.384742666667	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+3H"	3.021828
"435504"	1100.298623	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+NH4"	18.033823
"796500"	1641.431023	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+NH4"	18.033823
"1691737"	559.166223	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+NH4"	18.033823
"338923"	550.6529495	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+H+NH4"	19.041099
"734625"	821.2191495	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+H+NH4"	19.041099
"1487350"	280.0867495	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H+NH4"	19.041099
"400561"	1105.254018	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+Na"	22.989218
"760463"	1646.386418	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+Na"	22.989218
"1605646"	564.121618	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Na"	22.989218
"320788"	553.130647	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+H+Na"	23.996494
"716491"	823.696847	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+H+Na"	23.996494
"1469217"	282.564447	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H+Na"	23.996494
"1064648"	188.712056666667	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2H+Na"	25.00377
"1265235"	574.165886	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+CH3OH+H"	33.033486
"387092"	1121.227958	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+K"	38.963158
"746993"	1662.360358	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+K"	38.963158
"1551236"	580.095558	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+K"	38.963158
"306225"	561.117617	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+H+K"	39.970434
"699739"	831.683817	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+H+K"	39.970434
"1448093"	290.551417	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H+K"	39.970434
"239975"	1124.298626	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+ACN+H"	42.033826
"1212683"	583.166226	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+ACN+H"	42.033826
"1196567"	292.086751	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+ACN+2H"	43.041102
"194903"	1127.23596	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+2Na-H"	44.97116
"629157"	1668.36836	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+2Na-H"	44.97116
"1131525"	586.10356	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2Na-H"	44.97116
"173602"	564.121618	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+2Na"	45.978436
"627522"	834.687818	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+2Na"	45.978436
"1131031"	293.555418	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2Na"	45.978436
"1413703"	196.039370666667	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H+2Na"	46.985712
"1445377"	588.145146	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H+HCOOH"	47.012746
"233685"	569.15464	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+3H2O+2H"	56.04448
"1521016"	602.19719	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+IsoProp+H"	61.06479
"422161"	572.108588	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+Na+K"	61.952376
"782792"	842.674788	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+Na+K"	61.952376
"1679123"	301.542388	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Na+K"	61.952376
"265642"	1146.280568	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+ACN+Na"	64.015768
"1240416"	605.148168	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+ACN+Na"	64.015768
"1723953"	605.171693	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+NH4+HCOOH"	64.039293
"1191494"	203.366684666667	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+3Na"	68.967654
"1661391"	610.127088	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Na+HCOOH"	68.994688
"168251"	1159.18384	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+2K-H"	76.91904
"601251"	1700.31624	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+2K-H"	76.91904
"1090870"	618.05144	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2K-H"	76.91904
"146957"	580.095558	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"2M+2K"	77.926316
"583597"	850.661758	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"3M+2K"	77.926316
"1068635"	309.529358	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2K"	77.926316
"1102412"	620.065992	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2K+H"	78.933592
"1349018"	620.153607	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+DMSO+H"	79.021207
"1013541"	624.192776	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2ACN+H"	83.060376
"1536770"	625.186408	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+IsoProp+Na+H"	84.054008
"1001395"	312.600026	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+2ACN+2H"	84.067652
"1601976"	626.101028	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+K+HCOOH"	84.968628
"1428117"	656.132538	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+H+CF3COOH"	115.000138
"1158409"	333.113301	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+3ACN+2H"	125.094202
"1710148"	673.159085	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+NH4+CF3COOH"	132.026685
"1646891"	678.11448	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+Na+CF3COOH"	136.98208
"1581448"	694.08842	"C18408"	"Acrinathrin"	"C26H21F6NO5"	"541.1324"	"M+K+CF3COOH"	152.95602
"805251"	481.0848	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M"	0
"980970"	462.06641	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-H2O-H"	-19.01839
"64838"	319.715924	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M-3H"	-3.021828
"505491"	480.077524	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M-3H"	-3.021828
"882199"	159.354324	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-3H"	-3.021828
"6244"	480.077524	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M-2H"	-2.014552
"444711"	720.619924	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M-2H"	-2.014552
"822513"	239.535124	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-2H"	-2.014552
"79461"	961.162324	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M-H"	-1.007276
"527535"	1442.247124	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M-H"	-1.007276
"906433"	480.077524	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-H"	-1.007276
"57525"	978.188871	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M-2H+NH4"	16.019271
"495992"	1459.273671	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M-2H+NH4"	16.019271
"865530"	497.104071	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-2H+NH4"	16.019271
"39511"	983.144266	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M-2H+Na"	20.974666
"472997"	1464.229066	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M-2H+Na"	20.974666
"850559"	502.059466	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-2H+Na"	20.974666
"1623127"	502.059466	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Na-2H"	20.974666
"100749"	498.065863	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M-H+Cl"	33.962126
"535571"	738.608263	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M-H+Cl"	33.962126
"931639"	257.523463	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-H+Cl"	33.962126
"272384"	997.139002	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+Cl"	34.969402
"664803"	1478.223802	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+Cl"	34.969402
"1278301"	516.054202	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Cl"	34.969402
"20133"	999.118206	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M-2H+K"	36.948606
"459328"	1480.203006	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M-2H+K"	36.948606
"838223"	518.033406	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-2H+K"	36.948606
"1564992"	518.033406	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+K-2H"	36.948606
"947406"	526.082994	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-H+HCOOH"	44.998194
"362712"	1007.167801	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+HCOOH-H"	44.998201
"349512"	1021.183451	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+Hac-H"	59.013851
"1495062"	540.098651	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Hac-H"	59.013851
"963703"	548.064951	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-H+NaCOOH"	66.980151
"110898"	516.054202	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+2Cl"	69.938804
"550458"	756.596602	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+2Cl"	69.938804
"1030814"	275.511802	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2Cl"	69.938804
"1252578"	560.003685	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Br"	78.918885
"1317217"	562.059672	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Cl+HCOOH"	80.974872
"1329244"	584.041629	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Cl+NaCOOH"	102.956829
"919207"	594.070386	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M-H+CF3COOH"	112.985586
"1289354"	630.047064	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Cl+CF3COOH"	148.962264
"1367513"	446.072124	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H-2H2O"	-35.012676
"1383917"	464.0821	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H-H2O"	-17.0027
"283965"	963.176876	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+H"	1.007276
"676388"	1444.261676	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+H"	1.007276
"1352006"	482.092076	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H"	1.007276
"129636"	482.092076	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+2H"	2.014552
"566642"	722.634476	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+2H"	2.014552
"1037870"	241.549676	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2H"	2.014552
"204438"	321.730476	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+3H"	3.021828
"644438"	482.092076	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+3H"	3.021828
"1176594"	161.368876	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+3H"	3.021828
"434521"	980.203423	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+NH4"	18.033823
"795517"	1461.288223	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+NH4"	18.033823
"1690754"	499.118623	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+NH4"	18.033823
"340126"	490.6053495	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+H+NH4"	19.041099
"734735"	731.1477495	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+H+NH4"	19.041099
"1487460"	250.0629495	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H+NH4"	19.041099
"400671"	985.158818	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+Na"	22.989218
"760573"	1466.243618	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+Na"	22.989218
"1607578"	504.074018	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Na"	22.989218
"318345"	493.083047	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+H+Na"	23.996494
"711860"	733.625447	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+H+Na"	23.996494
"1466410"	252.540647	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H+Na"	23.996494
"1061478"	168.69619	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2H+Na"	25.00377
"1262065"	514.118286	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+CH3OH+H"	33.033486
"389387"	1001.132758	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+K"	38.963158
"751474"	1482.217558	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+K"	38.963158
"1550252"	520.047958	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+K"	38.963158
"305241"	501.070017	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+H+K"	39.970434
"698755"	741.612417	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+H+K"	39.970434
"1452574"	260.527617	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H+K"	39.970434
"237897"	1004.203426	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+ACN+H"	42.033826
"1211700"	523.118626	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+ACN+H"	42.033826
"1197769"	262.062951	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+ACN+2H"	43.041102
"197199"	1007.14076	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+2Na-H"	44.97116
"629346"	1488.22556	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+2Na-H"	44.97116
"1132487"	526.05596	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2Na-H"	44.97116
"174075"	504.074018	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+2Na"	45.978436
"627875"	744.616418	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+2Na"	45.978436
"1131059"	263.531618	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2Na"	45.978436
"1413734"	176.023504	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H+2Na"	46.985712
"1444833"	528.097546	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H+HCOOH"	47.012746
"233553"	509.10704	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+3H2O+2H"	56.04448
"1521856"	542.14959	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+IsoProp+H"	61.06479
"423854"	512.060988	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+Na+K"	61.952376
"784363"	752.603388	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+Na+K"	61.952376
"1680207"	271.518588	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Na+K"	61.952376
"266484"	1026.185368	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+ACN+Na"	64.015768
"1240527"	545.100568	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+ACN+Na"	64.015768
"1724063"	545.124093	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+NH4+HCOOH"	64.039293
"1189418"	183.350818	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+3Na"	68.967654
"1661501"	550.079488	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Na+HCOOH"	68.994688
"167268"	1039.08864	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+2K-H"	76.91904
"603548"	1520.17344	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+2K-H"	76.91904
"1090250"	558.00384	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2K-H"	76.91904
"145974"	520.047958	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"2M+2K"	77.926316
"584800"	760.590358	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"3M+2K"	77.926316
"1074414"	279.505558	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2K"	77.926316
"1102157"	560.018392	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2K+H"	78.933592
"1349128"	560.106007	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+DMSO+H"	79.021207
"1014744"	564.145176	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2ACN+H"	83.060376
"1536151"	565.138808	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+IsoProp+Na+H"	84.054008
"1001505"	282.576226	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+2ACN+2H"	84.067652
"1602206"	566.053428	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+K+HCOOH"	84.968628
"1426041"	596.084938	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+H+CF3COOH"	115.000138
"1158519"	303.089501	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+3ACN+2H"	125.094202
"1710258"	613.111485	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+NH4+CF3COOH"	132.026685
"1648095"	618.06688	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+Na+CF3COOH"	136.98208
"1581558"	634.04082	"C18409"	"Cycloprothrin"	"C26H21Cl2NO4"	"481.0848"	"M+K+CF3COOH"	152.95602
"811922"	376.2038	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M"	0
"983268"	357.18541	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-H2O-H"	-19.01839
"72604"	249.795257333333	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M-3H"	-3.021828
"508882"	375.196524	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M-3H"	-3.021828
"885589"	124.393990666667	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-3H"	-3.021828
"6354"	375.196524	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M-2H"	-2.014552
"441541"	563.298424	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M-2H"	-2.014552
"822623"	187.094624	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-2H"	-2.014552
"81520"	751.400324	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M-H"	-1.007276
"527645"	1127.604124	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M-H"	-1.007276
"908367"	375.196524	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-H"	-1.007276
"59097"	768.426871	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M-2H+NH4"	16.019271
"496833"	1144.630671	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M-2H+NH4"	16.019271
"873904"	392.223071	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-2H+NH4"	16.019271
"40717"	773.382266	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M-2H+Na"	20.974666
"478090"	1149.586066	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M-2H+Na"	20.974666
"856987"	397.178466	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-2H+Na"	20.974666
"1624333"	397.178466	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Na-2H"	20.974666
"101954"	393.184863	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M-H+Cl"	33.962126
"538236"	581.286763	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M-H+Cl"	33.962126
"931751"	205.082963	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-H+Cl"	33.962126
"273589"	787.377002	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+Cl"	34.969402
"663822"	1163.580802	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+Cl"	34.969402
"1277318"	411.173202	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Cl"	34.969402
"25348"	789.356206	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M-2H+K"	36.948606
"463813"	1165.560006	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M-2H+K"	36.948606
"842711"	413.152406	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-2H+K"	36.948606
"1567289"	413.152406	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+K-2H"	36.948606
"946423"	421.201994	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-H+HCOOH"	44.998194
"365737"	797.405801	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+HCOOH-H"	44.998201
"347436"	811.421451	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+Hac-H"	59.013851
"1497358"	435.217651	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Hac-H"	59.013851
"963813"	443.183951	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-H+NaCOOH"	66.980151
"110886"	411.173202	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+2Cl"	69.938804
"550568"	599.275102	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+2Cl"	69.938804
"1022039"	223.071302	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2Cl"	69.938804
"1250502"	455.122685	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Br"	78.918885
"1319433"	457.178672	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Cl+HCOOH"	80.974872
"1330449"	479.160629	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Cl+NaCOOH"	102.956829
"919318"	489.189386	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M-H+CF3COOH"	112.985586
"1289099"	525.166064	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Cl+CF3COOH"	148.962264
"1368106"	341.191124	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H-2H2O"	-35.012676
"1387307"	359.2011	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H-H2O"	-17.0027
"283710"	753.414876	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+H"	1.007276
"676619"	1129.618676	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+H"	1.007276
"1351875"	377.211076	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H"	1.007276
"127560"	377.211076	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+2H"	2.014552
"567117"	565.312976	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+2H"	2.014552
"1039564"	189.109176	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2H"	2.014552
"205397"	251.809809333333	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+3H"	3.021828
"647393"	377.211076	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+3H"	3.021828
"1175371"	126.408542666667	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+3H"	3.021828
"436820"	770.441423	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+NH4"	18.033823
"798543"	1146.645223	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+NH4"	18.033823
"1694144"	394.237623	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+NH4"	18.033823
"342424"	385.7243495	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+H+NH4"	19.041099
"734847"	573.8262495	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+H+NH4"	19.041099
"1489761"	197.6224495	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H+NH4"	19.041099
"404063"	775.396818	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+Na"	22.989218
"766152"	1151.600618	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+Na"	22.989218
"1612063"	399.193018	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Na"	22.989218
"322100"	388.202047	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+H+Na"	23.996494
"713429"	576.303947	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+H+Na"	23.996494
"1471624"	200.100147	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H+Na"	23.996494
"1061587"	133.735856666667	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2H+Na"	25.00377
"1266549"	409.237286	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+CH3OH+H"	33.033486
"385124"	791.370758	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+K"	38.963158
"750493"	1167.574558	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+K"	38.963158
"1543070"	415.166958	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+K"	38.963158
"300973"	396.189017	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+H+K"	39.970434
"691527"	584.290917	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+H+K"	39.970434
"1446122"	208.087117	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H+K"	39.970434
"236181"	794.441426	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+ACN+H"	42.033826
"1210714"	418.237626	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+ACN+H"	42.033826
"1195447"	209.622451	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+ACN+2H"	43.041102
"192935"	797.37876	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+2Na-H"	44.97116
"629579"	1173.58256	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+2Na-H"	44.97116
"1133327"	421.17496	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2Na-H"	44.97116
"172867"	399.193018	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+2Na"	45.978436
"628272"	587.294918	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+2Na"	45.978436
"1130892"	211.091118	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2Na"	45.978436
"1413564"	141.063170666667	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H+2Na"	46.985712
"1445065"	423.216546	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H+HCOOH"	47.012746
"232082"	404.22604	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+3H2O+2H"	56.04448
"1522332"	437.26859	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+IsoProp+H"	61.06479
"423721"	407.179988	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+Na+K"	61.952376
"785463"	595.281888	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+Na+K"	61.952376
"1681131"	219.078088	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Na+K"	61.952376
"266474"	816.423368	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+ACN+Na"	64.015768
"1240276"	440.219568	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+ACN+Na"	64.015768
"1726363"	440.243093	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+NH4+HCOOH"	64.039293
"1189901"	148.390484666667	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+3Na"	68.967654
"1663797"	445.198488	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Na+HCOOH"	68.994688
"167377"	829.32664	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+2K-H"	76.91904
"605845"	1205.53044	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+2K-H"	76.91904
"1093637"	453.12284	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2K-H"	76.91904
"152644"	415.166958	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"2M+2K"	77.926316
"588921"	603.268858	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"3M+2K"	77.926316
"1071610"	227.065058	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2K"	77.926316
"1106639"	455.137392	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2K+H"	78.933592
"1347415"	455.225007	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+DMSO+H"	79.021207
"1010479"	459.264176	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2ACN+H"	83.060376
"1529698"	460.257808	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+IsoProp+Na+H"	84.054008
"998332"	230.135726	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+2ACN+2H"	84.067652
"1599398"	461.172428	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+K+HCOOH"	84.968628
"1426151"	491.203938	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+H+CF3COOH"	115.000138
"1158628"	250.649001	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+3ACN+2H"	125.094202
"1705993"	508.230485	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+NH4+CF3COOH"	132.026685
"1647112"	513.18588	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+Na+CF3COOH"	136.98208
"1581668"	529.15982	"C18410"	"Etofenprox"	"C25H28O3"	"376.2038"	"M+K+CF3COOH"	152.95602
"803283"	349.1678	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M"	0
"979004"	330.14941	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-H2O-H"	-19.01839
"72714"	231.771257333333	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M-3H"	-3.021828
"513367"	348.160524	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M-3H"	-3.021828
"891169"	115.381990666667	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-3H"	-3.021828
"6465"	348.160524	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M-2H"	-2.014552
"449306"	522.744424	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M-2H"	-2.014552
"822733"	173.576624	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-2H"	-2.014552
"79563"	697.328324	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M-H"	-1.007276
"527756"	1046.496124	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M-H"	-1.007276
"909207"	348.160524	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-H"	-1.007276
"61395"	714.354871	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M-2H+NH4"	16.019271
"498768"	1063.522671	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M-2H+NH4"	16.019271
"877661"	365.187071	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-2H+NH4"	16.019271
"40828"	719.310266	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M-2H+Na"	20.974666
"480387"	1068.478066	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M-2H+Na"	20.974666
"858190"	370.142466	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-2H+Na"	20.974666
"1629910"	370.142466	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Na-2H"	20.974666
"106803"	366.148863	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M-H+Cl"	33.962126
"538346"	540.732763	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M-H+Cl"	33.962126
"932955"	191.564963	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-H+Cl"	33.962126
"273699"	733.305002	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+Cl"	34.969402
"663932"	1082.472802	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+Cl"	34.969402
"1276334"	384.137202	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Cl"	34.969402
"23261"	735.284206	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M-2H+K"	36.948606
"466109"	1084.452006	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M-2H+K"	36.948606
"838443"	386.116406	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-2H+K"	36.948606
"1559742"	386.116406	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+K-2H"	36.948606
"953095"	394.165994	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-H+HCOOH"	44.998194
"371312"	743.333801	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+HCOOH-H"	44.998201
"354103"	757.349451	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+Hac-H"	59.013851
"1500747"	408.181651	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Hac-H"	59.013851
"963923"	416.147951	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-H+NaCOOH"	66.980151
"110513"	384.137202	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+2Cl"	69.938804
"550321"	558.721102	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+2Cl"	69.938804
"1021790"	209.553302	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2Cl"	69.938804
"1247331"	428.086685	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Br"	78.918885
"1318165"	430.142672	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Cl+HCOOH"	80.974872
"1333839"	452.124629	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Cl+NaCOOH"	102.956829
"922709"	462.153386	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M-H+CF3COOH"	112.985586
"1297230"	498.130064	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Cl+CF3COOH"	148.962264
"1373203"	314.155124	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H-2H2O"	-35.012676
"1385231"	332.1651	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H-H2O"	-17.0027
"283579"	699.342876	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+H"	1.007276
"676608"	1048.510676	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+H"	1.007276
"1352229"	350.175076	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H"	1.007276
"128034"	350.175076	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+2H"	2.014552
"565795"	524.758976	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+2H"	2.014552
"1039310"	175.591176	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2H"	2.014552
"204780"	233.785809333333	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+3H"	3.021828
"647505"	350.175076	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+3H"	3.021828
"1175842"	117.396542666667	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+3H"	3.021828
"437660"	716.369423	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+NH4"	18.033823
"795739"	1065.537223	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+NH4"	18.033823
"1694254"	367.201623	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+NH4"	18.033823
"340347"	358.6883495	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+H+NH4"	19.041099
"731674"	533.2722495	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+H+NH4"	19.041099
"1488778"	184.1044495	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H+NH4"	19.041099
"404173"	721.324818	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+Na"	22.989218
"759701"	1070.492618	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+Na"	22.989218
"1612173"	372.157018	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Na"	22.989218
"323304"	361.166047	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+H+Na"	23.996494
"716819"	535.749947	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+H+Na"	23.996494
"1468454"	186.582147	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H+Na"	23.996494
"1060604"	124.723856666667	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2H+Na"	25.00377
"1262286"	382.201286	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+CH3OH+H"	33.033486
"386327"	737.298758	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+K"	38.963158
"746231"	1086.466558	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+K"	38.963158
"1542818"	388.130958	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+K"	38.963158
"299261"	369.153017	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+H+K"	39.970434
"692412"	543.736917	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+H+K"	39.970434
"1447326"	194.569117	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H+K"	39.970434
"237749"	740.369426	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+ACN+H"	42.033826
"1212280"	391.201626	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+ACN+H"	42.033826
"1196163"	196.104451	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+ACN+2H"	43.041102
"193409"	743.30676	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+2Na-H"	44.97116
"629202"	1092.47456	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+2Na-H"	44.97116
"1136112"	394.13896	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2Na-H"	44.97116
"173933"	372.157018	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+2Na"	45.978436
"625533"	546.740918	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+2Na"	45.978436
"1131167"	197.573118	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2Na"	45.978436
"1414108"	132.051170666667	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H+2Na"	46.985712
"1445575"	396.180546	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H+HCOOH"	47.012746
"232921"	377.19004	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+3H2O+2H"	56.04448
"1521348"	410.23259	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+IsoProp+H"	61.06479
"423953"	380.143988	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+Na+K"	61.952376
"785598"	554.727888	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+Na+K"	61.952376
"1680427"	205.560088	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Na+K"	61.952376
"266583"	762.351368	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+ACN+Na"	64.015768
"1240142"	413.183568	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+ACN+Na"	64.015768
"1727566"	413.207093	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+NH4+HCOOH"	64.039293
"1191105"	139.378484666667	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+3Na"	68.967654
"1662813"	418.162488	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Na+HCOOH"	68.994688
"166393"	775.25464	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+2K-H"	76.91904
"607049"	1124.42244	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+2K-H"	76.91904
"1090467"	426.08684	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2K-H"	76.91904
"145097"	388.130958	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"2M+2K"	77.926316
"585751"	562.714858	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"3M+2K"	77.926316
"1071356"	213.547058	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2K"	77.926316
"1103470"	428.101392	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2K+H"	78.933592
"1347526"	428.189007	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+DMSO+H"	79.021207
"1008765"	432.228176	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2ACN+H"	83.060376
"1526647"	433.221808	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+IsoProp+Na+H"	84.054008
"992974"	216.617726	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+2ACN+2H"	84.067652
"1597319"	434.136428	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+K+HCOOH"	84.968628
"1426260"	464.167938	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+H+CF3COOH"	115.000138
"1156551"	237.131001	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+3ACN+2H"	125.094202
"1707196"	481.194485	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+NH4+CF3COOH"	132.026685
"1647222"	486.14988	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+Na+CF3COOH"	136.98208
"1581778"	502.12382	"C18411"	"Fenpropathrin"	"C22H23NO3"	"349.1678"	"M+K+CF3COOH"	152.95602
"805581"	408.1921	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M"	0
"980207"	389.17371	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-H2O-H"	-19.01839
"71731"	271.120790666667	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M-3H"	-3.021828
"513477"	407.184824	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M-3H"	-3.021828
"891279"	135.056757333333	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-3H"	-3.021828
"7668"	407.184824	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M-2H"	-2.014552
"449416"	611.280874	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M-2H"	-2.014552
"822843"	203.088774	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-2H"	-2.014552
"79065"	815.376924	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M-H"	-1.007276
"530053"	1223.569024	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M-H"	-1.007276
"908953"	407.184824	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-H"	-1.007276
"61141"	832.403471	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M-2H+NH4"	16.019271
"501675"	1240.595571	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M-2H+NH4"	16.019271
"877408"	424.211371	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-2H+NH4"	16.019271
"40938"	837.358866	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M-2H+Na"	20.974666
"478310"	1245.550966	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M-2H+Na"	20.974666
"857207"	429.166766	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-2H+Na"	20.974666
"1626740"	429.166766	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Na-2H"	20.974666
"104361"	425.173163	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M-H+Cl"	33.962126
"537361"	629.269213	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M-H+Cl"	33.962126
"929785"	221.077113	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-H+Cl"	33.962126
"273809"	851.353602	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+Cl"	34.969402
"664042"	1259.545702	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+Cl"	34.969402
"1275715"	443.161502	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Cl"	34.969402
"21913"	853.332806	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M-2H+K"	36.948606
"462939"	1261.524906	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M-2H+K"	36.948606
"837460"	445.140706	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-2H+K"	36.948606
"1557666"	445.140706	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+K-2H"	36.948606
"947738"	453.190294	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-H+HCOOH"	44.998194
"369235"	861.382401	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+HCOOH-H"	44.998201
"354213"	875.398051	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+Hac-H"	59.013851
"1498671"	467.205951	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Hac-H"	59.013851
"961846"	475.172251	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-H+NaCOOH"	66.980151
"110017"	443.161502	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+2Cl"	69.938804
"549962"	647.257552	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+2Cl"	69.938804
"1021741"	239.065452	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2Cl"	69.938804
"1247441"	487.110985	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Br"	78.918885
"1318275"	489.166972	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Cl+HCOOH"	80.974872
"1332856"	511.148929	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Cl+NaCOOH"	102.956829
"921726"	521.177686	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M-H+CF3COOH"	112.985586
"1294060"	557.154364	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Cl+CF3COOH"	148.962264
"1373313"	373.179424	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H-2H2O"	-35.012676
"1385341"	391.1894	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H-H2O"	-17.0027
"283001"	817.391476	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+H"	1.007276
"676394"	1225.583576	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+H"	1.007276
"1351609"	409.199376	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H"	1.007276
"126078"	409.199376	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+2H"	2.014552
"565770"	613.295426	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+2H"	2.014552
"1037173"	205.103326	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2H"	2.014552
"204406"	273.135342666667	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+3H"	3.021828
"644297"	409.199376	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+3H"	3.021828
"1174494"	137.071309333333	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+3H"	3.021828
"435945"	834.418023	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+NH4"	18.033823
"798036"	1242.610123	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+NH4"	18.033823
"1695094"	426.225923	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+NH4"	18.033823
"341550"	417.7126495	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+H+NH4"	19.041099
"733971"	621.8086995	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+H+NH4"	19.041099
"1489981"	213.6165995	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H+NH4"	19.041099
"404283"	839.373418	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+Na"	22.989218
"759811"	1247.565518	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+Na"	22.989218
"1612283"	431.181318	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Na"	22.989218
"323414"	420.190347	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+H+Na"	23.996494
"716929"	624.286397	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+H+Na"	23.996494
"1472938"	216.094297	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H+Na"	23.996494
"1063994"	144.398623333333	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2H+Na"	25.00377
"1265676"	441.225586	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+CH3OH+H"	33.033486
"387530"	855.347358	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+K"	38.963158
"747435"	1263.539458	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+K"	38.963158
"1541835"	447.155258	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+K"	38.963158
"299371"	428.177317	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+H+K"	39.970434
"692036"	632.273367	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+H+K"	39.970434
"1447802"	224.081267	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H+K"	39.970434
"236644"	858.418026	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+ACN+H"	42.033826
"1212027"	450.225926	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+ACN+H"	42.033826
"1198099"	225.616601	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+ACN+2H"	43.041102
"190967"	861.35536	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+2Na-H"	44.97116
"630164"	1269.54746	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+2Na-H"	44.97116
"1136222"	453.16326	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2Na-H"	44.97116
"173301"	431.181318	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+2Na"	45.978436
"624548"	635.277368	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+2Na"	45.978436
"1131275"	227.085268	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2Na"	45.978436
"1414140"	151.725937333333	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H+2Na"	46.985712
"1445407"	455.204846	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H+HCOOH"	47.012746
"233030"	436.21434	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+3H2O+2H"	56.04448
"1523648"	469.25689	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+IsoProp+H"	61.06479
"422239"	439.168288	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+Na+K"	61.952376
"784329"	643.264338	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+Na+K"	61.952376
"1679931"	235.072238	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Na+K"	61.952376
"266330"	880.399968	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+ACN+Na"	64.015768
"1239888"	472.207868	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+ACN+Na"	64.015768
"1726582"	472.231393	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+NH4+HCOOH"	64.039293
"1193032"	159.053251333333	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+3Na"	68.967654
"1663653"	477.186788	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Na+HCOOH"	68.994688
"170877"	893.30324	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+2K-H"	76.91904
"603879"	1301.49534	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+2K-H"	76.91904
"1092767"	485.11114	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2K-H"	76.91904
"146301"	447.155258	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"2M+2K"	77.926316
"583675"	651.251308	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"3M+2K"	77.926316
"1069763"	243.059208	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2K"	77.926316
"1100786"	487.125692	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2K+H"	78.933592
"1347636"	487.213307	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+DMSO+H"	79.021207
"1007903"	491.252476	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2ACN+H"	83.060376
"1525419"	492.246108	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+IsoProp+Na+H"	84.054008
"994178"	246.129876	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+2ACN+2H"	84.067652
"1590868"	493.160728	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+K+HCOOH"	84.968628
"1424184"	523.192238	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+H+CF3COOH"	115.000138
"1153381"	266.643151	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+3ACN+2H"	125.094202
"1706213"	540.218785	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+NH4+CF3COOH"	132.026685
"1648061"	545.17418	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+Na+CF3COOH"	136.98208
"1581888"	561.14812	"C18412"	"Silafluofen"	"C25H29FO2Si"	"408.1921"	"M+K+CF3COOH"	152.95602
"812252"	660.8098	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M"	0
"986879"	641.79141	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-H2O-H"	-19.01839
"76214"	439.532590666667	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M-3H"	-3.021828
"513588"	659.802524	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M-3H"	-3.021828
"891389"	219.262657333333	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-3H"	-3.021828
"7778"	659.802524	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M-2H"	-2.014552
"452806"	990.207424	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M-2H"	-2.014552
"828056"	329.397624	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-2H"	-2.014552
"81850"	1320.612324	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M-H"	-1.007276
"534169"	1981.422124	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M-H"	-1.007276
"911132"	659.802524	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-H"	-1.007276
"62476"	1337.638871	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M-2H+NH4"	16.019271
"502724"	1998.448671	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M-2H+NH4"	16.019271
"879928"	676.829071	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-2H+NH4"	16.019271
"42144"	1342.594266	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M-2H+Na"	20.974666
"482795"	2003.404066	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M-2H+Na"	20.974666
"861691"	681.784466	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-2H+Na"	20.974666
"1631224"	681.784466	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Na-2H"	20.974666
"106660"	677.790863	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M-H+Cl"	33.962126
"548893"	1008.195763	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M-H+Cl"	33.962126
"937550"	347.385963	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-H+Cl"	33.962126
"273919"	1356.589002	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+Cl"	34.969402
"668527"	2017.398802	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+Cl"	34.969402
"1278379"	695.779202	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Cl"	34.969402
"20935"	1358.568206	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M-2H+K"	36.948606
"460491"	2019.378006	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M-2H+K"	36.948606
"839757"	697.758406	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-2H+K"	36.948606
"1558869"	697.758406	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+K-2H"	36.948606
"948942"	705.807994	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-H+HCOOH"	44.998194
"374815"	1366.617801	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+HCOOH-H"	44.998201
"356511"	1380.633451	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+Hac-H"	59.013851
"1502061"	719.823651	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Hac-H"	59.013851
"961956"	727.789951	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-H+NaCOOH"	66.980151
"110616"	695.779202	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+2Cl"	69.938804
"551517"	1026.184102	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+2Cl"	69.938804
"1022500"	365.374302	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2Cl"	69.938804
"1250833"	739.728685	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Br"	78.918885
"1317656"	741.784672	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Cl+HCOOH"	80.974872
"1334425"	763.766629	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Cl+NaCOOH"	102.956829
"924023"	773.795386	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M-H+CF3COOH"	112.985586
"1294170"	809.772064	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Cl+CF3COOH"	148.962264
"1373423"	625.797124	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H-2H2O"	-35.012676
"1385450"	643.8071	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H-H2O"	-17.0027
"285137"	1322.626876	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+H"	1.007276
"677922"	1983.436676	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+H"	1.007276
"1353176"	661.817076	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H"	1.007276
"134452"	661.817076	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+2H"	2.014552
"570730"	992.221976	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+2H"	2.014552
"1040622"	331.412176	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2H"	2.014552
"208887"	441.547142666667	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+3H"	3.021828
"645532"	661.817076	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+3H"	3.021828
"1165487"	221.277209333333	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+3H"	3.021828
"438242"	1339.653423	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+NH4"	18.033823
"800945"	2000.463223	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+NH4"	18.033823
"1692287"	678.843623	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+NH4"	18.033823
"343848"	670.3303495	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+H+NH4"	19.041099
"734080"	1000.7352495	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+H+NH4"	19.041099
"1488996"	339.9254495	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H+NH4"	19.041099
"402207"	1344.608818	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+Na"	22.989218
"763201"	2005.418618	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+Na"	22.989218
"1611300"	683.799018	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Na"	22.989218
"325713"	672.808047	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+H+Na"	23.996494
"719958"	1003.212947	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+H+Na"	23.996494
"1475363"	342.403147	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H+Na"	23.996494
"1067023"	228.604523333333	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2H+Na"	25.00377
"1271256"	693.843286	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+CH3OH+H"	33.033486
"390926"	1360.582758	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+K"	38.963158
"751191"	2021.392558	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+K"	38.963158
"1549598"	699.772958	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+K"	38.963158
"306773"	680.795017	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+H+K"	39.970434
"697010"	1011.199917	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+H+K"	39.970434
"1450830"	350.390117	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H+K"	39.970434
"240525"	1363.653426	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+ACN+H"	42.033826
"1213233"	702.843626	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+ACN+H"	42.033826
"1200397"	351.925451	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+ACN+2H"	43.041102
"198733"	1366.59076	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+2Na-H"	44.97116
"630274"	2027.40056	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+2Na-H"	44.97116
"1132321"	705.78096	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2Na-H"	44.97116
"173790"	683.799018	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+2Na"	45.978436
"624658"	1014.203918	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+2Na"	45.978436
"1130608"	353.394118	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2Na"	45.978436
"1414010"	235.931837333333	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H+2Na"	46.985712
"1445031"	707.822546	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H+HCOOH"	47.012746
"232778"	688.83204	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+3H2O+2H"	56.04448
"1519750"	721.87459	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+IsoProp+H"	61.06479
"421260"	691.785988	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+Na+K"	61.952376
"783347"	1022.190888	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+Na+K"	61.952376
"1681016"	361.381088	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Na+K"	61.952376
"265467"	1385.635368	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+ACN+Na"	64.015768
"1237447"	724.825568	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+ACN+Na"	64.015768
"1724148"	724.849093	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+NH4+HCOOH"	64.039293
"1190230"	243.259151333333	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+3Na"	68.967654
"1661218"	729.804488	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Na+HCOOH"	68.994688
"167347"	1398.53864	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+2K-H"	76.91904
"605082"	2059.34844	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+2K-H"	76.91904
"1095066"	737.72884	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2K-H"	76.91904
"147504"	699.772958	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"2M+2K"	77.926316
"588162"	1030.177858	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"3M+2K"	77.926316
"1069388"	369.368058	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2K"	77.926316
"1100410"	739.743392	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2K+H"	78.933592
"1346654"	739.831007	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+DMSO+H"	79.021207
"1008622"	743.870176	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2ACN+H"	83.060376
"1526748"	744.863808	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+IsoProp+Na+H"	84.054008
"996475"	372.438726	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+2ACN+2H"	84.067652
"1597539"	745.778428	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+K+HCOOH"	84.968628
"1423201"	775.809938	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+H+CF3COOH"	115.000138
"1149846"	392.952001	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+3ACN+2H"	125.094202
"1703044"	792.836485	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+NH4+CF3COOH"	132.026685
"1640880"	797.79188	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+Na+CF3COOH"	136.98208
"1573250"	813.76582	"C18413"	"Tralomethrin"	"C22H19Br4NO3"	"660.8098"	"M+K+CF3COOH"	152.95602
"805801"	399.1286	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M"	0
"981522"	380.11021	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-H2O-H"	-19.01839
"66481"	265.078457333333	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M-3H"	-3.021828
"512603"	398.121324	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M-3H"	-3.021828
"891499"	132.035590666667	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-3H"	-3.021828
"7888"	398.121324	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M-2H"	-2.014552
"450729"	597.685624	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M-2H"	-2.014552
"826343"	198.557024	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-2H"	-2.014552
"79405"	797.249924	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M-H"	-1.007276
"533322"	1196.378524	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M-H"	-1.007276
"909791"	398.121324	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-H"	-1.007276
"62630"	814.276471	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M-2H+NH4"	16.019271
"501658"	1213.405071	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M-2H+NH4"	16.019271
"879336"	415.147871	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-2H+NH4"	16.019271
"44077"	819.231866	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M-2H+Na"	20.974666
"485945"	1218.360466	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M-2H+Na"	20.974666
"860710"	420.103266	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-2H+Na"	20.974666
"1631702"	420.103266	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Na-2H"	20.974666
"106770"	416.109663	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M-H+Cl"	33.962126
"549369"	615.673963	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M-H+Cl"	33.962126
"937660"	216.545363	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-H+Cl"	33.962126
"275122"	833.226602	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+Cl"	34.969402
"667544"	1232.355202	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+Cl"	34.969402
"1277396"	434.098002	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Cl"	34.969402
"20316"	835.205806	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M-2H+K"	36.948606
"460238"	1234.334406	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M-2H+K"	36.948606
"839867"	436.077206	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-2H+K"	36.948606
"1560069"	436.077206	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+K-2H"	36.948606
"950146"	444.126794	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-H+HCOOH"	44.998194
"373832"	843.255401	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+HCOOH-H"	44.998201
"359901"	857.271051	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+Hac-H"	59.013851
"1502172"	458.142451	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Hac-H"	59.013851
"962066"	466.108751	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-H+NaCOOH"	66.980151
"112067"	434.098002	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+2Cl"	69.938804
"551627"	633.662302	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+2Cl"	69.938804
"1021519"	234.533702	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2Cl"	69.938804
"1252037"	478.047485	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Br"	78.918885
"1317402"	480.103472	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Cl+HCOOH"	80.974872
"1331985"	502.085429	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Cl+NaCOOH"	102.956829
"923040"	512.114186	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M-H+CF3COOH"	112.985586
"1294280"	548.090864	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Cl+CF3COOH"	148.962264
"1376813"	364.115924	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H-2H2O"	-35.012676
"1385560"	382.1259	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H-H2O"	-17.0027
"285611"	799.264476	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+H"	1.007276
"678032"	1198.393076	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+H"	1.007276
"1355473"	400.135876	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H"	1.007276
"134562"	400.135876	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+2H"	2.014552
"571933"	599.700176	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+2H"	2.014552
"1040734"	200.571576	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2H"	2.014552
"210821"	267.093009333333	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+3H"	3.021828
"646006"	400.135876	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+3H"	3.021828
"1164134"	134.050142666667	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+3H"	3.021828
"426068"	816.291023	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+NH4"	18.033823
"796068"	1215.419623	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+NH4"	18.033823
"1692395"	417.162423	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+NH4"	18.033823
"338490"	408.6491495	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+H+NH4"	19.041099
"736012"	608.2134495	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+H+NH4"	19.041099
"1486917"	209.0848495	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H+NH4"	19.041099
"403408"	821.246418	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+Na"	22.989218
"762216"	1220.375018	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+Na"	22.989218
"1611410"	422.117818	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Na"	22.989218
"323637"	411.126847	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+H+Na"	23.996494
"716058"	610.691147	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+H+Na"	23.996494
"1475956"	211.562547	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H+Na"	23.996494
"1067134"	141.377456666667	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2H+Na"	25.00377
"1270272"	432.162086	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+CH3OH+H"	33.033486
"390309"	837.220358	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+K"	38.963158
"749841"	1236.348958	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+K"	38.963158
"1549708"	438.091758	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+K"	38.963158
"304697"	419.113817	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+H+K"	39.970434
"696027"	618.678117	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+H+K"	39.970434
"1449846"	219.549517	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H+K"	39.970434
"242821"	840.291026	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+ACN+H"	42.033826
"1215530"	441.162426	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+ACN+H"	42.033826
"1203787"	221.084851	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+ACN+2H"	43.041102
"197750"	843.22836	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+2Na-H"	44.97116
"631113"	1242.35696	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+2Na-H"	44.97116
"1131588"	444.09976	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2Na-H"	44.97116
"174142"	422.117818	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+2Na"	45.978436
"625861"	621.682118	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+2Na"	45.978436
"1130596"	222.553518	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2Na"	45.978436
"1413797"	148.704770666667	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H+2Na"	46.985712
"1445382"	446.141346	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H+HCOOH"	47.012746
"233256"	427.15084	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+3H2O+2H"	56.04448
"1522412"	460.19339	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+IsoProp+H"	61.06479
"422830"	430.104788	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+Na+K"	61.952376
"784917"	629.669088	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+Na+K"	61.952376
"1680519"	230.540488	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Na+K"	61.952376
"264121"	862.272968	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+ACN+Na"	64.015768
"1237196"	463.144368	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+ACN+Na"	64.015768
"1724261"	463.167893	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+NH4+HCOOH"	64.039293
"1189250"	156.032084666667	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+3Na"	68.967654
"1660234"	468.123288	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Na+HCOOH"	68.994688
"169644"	875.17624	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+2K-H"	76.91904
"607379"	1274.30484	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+2K-H"	76.91904
"1095175"	476.04764	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2K-H"	76.91904
"147614"	438.091758	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"2M+2K"	77.926316
"588273"	637.656058	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"3M+2K"	77.926316
"1069257"	238.527458	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2K"	77.926316
"1100886"	478.062192	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2K+H"	78.933592
"1348344"	478.149807	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+DMSO+H"	79.021207
"1014201"	482.188976	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2ACN+H"	83.060376
"1535608"	483.182608	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+IsoProp+Na+H"	84.054008
"996587"	241.598126	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+2ACN+2H"	84.067652
"1600930"	484.097228	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+K+HCOOH"	84.968628
"1421124"	514.128738	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+H+CF3COOH"	115.000138
"1149593"	262.111401	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+3ACN+2H"	125.094202
"1703154"	531.155285	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+NH4+CF3COOH"	132.026685
"1640990"	536.11068	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+Na+CF3COOH"	136.98208
"1573360"	552.08462	"C18414"	"Alanycarb"	"C17H25N3O4S2"	"399.1286"	"M+K+CF3COOH"	152.95602
"812472"	381.1522	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M"	0
"984911"	362.13381	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-H2O-H"	-19.01839
"70966"	253.094190666667	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M-3H"	-3.021828
"514901"	380.144924	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M-3H"	-3.021828
"890515"	126.043457333333	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-3H"	-3.021828
"11278"	380.144924	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M-2H"	-2.014552
"447559"	570.721024	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M-2H"	-2.014552
"823173"	189.568824	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-2H"	-2.014552
"79881"	761.297124	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M-H"	-1.007276
"530747"	1142.449324	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M-H"	-1.007276
"909890"	380.144924	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-H"	-1.007276
"62413"	778.323671	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M-2H+NH4"	16.019271
"502127"	1159.475871	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M-2H+NH4"	16.019271
"879199"	397.171471	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-2H+NH4"	16.019271
"46014"	783.279066	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M-2H+Na"	20.974666
"485206"	1164.431266	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M-2H+Na"	20.974666
"863375"	402.126866	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-2H+Na"	20.974666
"1633515"	402.126866	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Na-2H"	20.974666
"107972"	398.133263	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M-H+Cl"	33.962126
"546437"	588.709363	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M-H+Cl"	33.962126
"936676"	207.557163	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-H+Cl"	33.962126
"275232"	797.273802	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+Cl"	34.969402
"670934"	1178.426002	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+Cl"	34.969402
"1280059"	416.121602	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Cl"	34.969402
"20427"	799.253006	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M-2H+K"	36.948606
"458526"	1180.405206	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M-2H+K"	36.948606
"835968"	418.100806	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-2H+K"	36.948606
"1558358"	418.100806	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+K-2H"	36.948606
"944788"	426.150394	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-H+HCOOH"	44.998194
"364098"	807.302601	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+HCOOH-H"	44.998201
"358918"	821.318251	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+Hac-H"	59.013851
"1499002"	440.166051	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Hac-H"	59.013851
"971655"	448.132351	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-H+NaCOOH"	66.980151
"120926"	416.121602	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+2Cl"	69.938804
"559392"	606.697702	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+2Cl"	69.938804
"1032567"	225.545502	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2Cl"	69.938804
"1256158"	460.071085	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Br"	78.918885
"1319542"	462.127072	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Cl+HCOOH"	80.974872
"1334646"	484.109029	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Cl+NaCOOH"	102.956829
"926069"	494.137786	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M-H+CF3COOH"	112.985586
"1302046"	530.114464	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Cl+CF3COOH"	148.962264
"1379112"	346.139524	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H-2H2O"	-35.012676
"1394420"	364.1495	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H-H2O"	-17.0027
"294106"	763.311676	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+H"	1.007276
"687622"	1144.463876	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+H"	1.007276
"1359596"	382.159476	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H"	1.007276
"134672"	382.159476	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+2H"	2.014552
"572044"	572.735576	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+2H"	2.014552
"1040843"	191.583376	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2H"	2.014552
"208379"	255.108742666667	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+3H"	3.021828
"649038"	382.159476	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+3H"	3.021828
"1165338"	128.058009333333	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+3H"	3.021828
"426058"	780.338223	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+NH4"	18.033823
"792897"	1161.490423	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+NH4"	18.033823
"1692509"	399.186023	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+NH4"	18.033823
"344068"	390.6727495	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+H+NH4"	19.041099
"737583"	581.2488495	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+H+NH4"	19.041099
"1489216"	200.0966495	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H+NH4"	19.041099
"403522"	785.293618	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+Na"	22.989218
"764517"	1166.445818	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+Na"	22.989218
"1611522"	404.141418	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Na"	22.989218
"324840"	393.150447	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+H+Na"	23.996494
"715074"	583.726547	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+H+Na"	23.996494
"1475824"	202.574347	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H+Na"	23.996494
"1063234"	135.385323333333	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2H+Na"	25.00377
"1271841"	414.185686	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+CH3OH+H"	33.033486
"391143"	801.267558	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+K"	38.963158
"749951"	1182.419758	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+K"	38.963158
"1548725"	420.115358	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+K"	38.963158
"310275"	401.137417	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+H+K"	39.970434
"696136"	591.713517	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+H+K"	39.970434
"1449958"	210.561317	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H+K"	39.970434
"248035"	804.338226	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+ACN+H"	42.033826
"1217827"	423.186026	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+ACN+H"	42.033826
"1202802"	212.096651	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+ACN+2H"	43.041102
"196766"	807.27556	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+2Na-H"	44.97116
"636328"	1188.42776	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+2Na-H"	44.97116
"1140927"	426.12336	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2Na-H"	44.97116
"174496"	404.141418	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+2Na"	45.978436
"622691"	594.717518	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+2Na"	45.978436
"1130461"	213.565318	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2Na"	45.978436
"1412882"	142.712637333333	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H+2Na"	46.985712
"1445250"	428.164946	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H+HCOOH"	47.012746
"234097"	409.17444	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+3H2O+2H"	56.04448
"1522889"	442.21699	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+IsoProp+H"	61.06479
"421481"	412.128388	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+Na+K"	61.952376
"784664"	602.704488	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+Na+K"	61.952376
"1680630"	221.552288	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Na+K"	61.952376
"264960"	826.320168	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+ACN+Na"	64.015768
"1238034"	445.167968	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+ACN+Na"	64.015768
"1725827"	445.191493	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+NH4+HCOOH"	64.039293
"1191180"	150.039951333333	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+3Na"	68.967654
"1661803"	450.146888	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Na+HCOOH"	68.994688
"170119"	839.22344	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+2K-H"	76.91904
"609314"	1220.37564	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+2K-H"	76.91904
"1097471"	458.07124	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2K-H"	76.91904
"148818"	420.115358	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"2M+2K"	77.926316
"592757"	610.691458	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"3M+2K"	77.926316
"1072894"	229.539258	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2K"	77.926316
"1101730"	460.085792	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2K+H"	78.933592
"1347968"	460.173407	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+DMSO+H"	79.021207
"1011031"	464.212576	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2ACN+H"	83.060376
"1534624"	465.206208	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+IsoProp+Na+H"	84.054008
"996697"	232.609926	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+2ACN+2H"	84.067652
"1597760"	466.120828	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+K+HCOOH"	84.968628
"1423421"	496.152338	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+H+CF3COOH"	115.000138
"1148607"	253.123201	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+3ACN+2H"	125.094202
"1706544"	513.178885	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+NH4+CF3COOH"	132.026685
"1646568"	518.13428	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+Na+CF3COOH"	136.98208
"1582218"	534.10822	"C18415"	"Benthiavalicarb isopropyl"	"C18H24FN3O3S"	"381.1522"	"M+K+CF3COOH"	152.95602
"802741"	380.2134	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M"	0
"979553"	361.19501	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-H2O-H"	-19.01839
"63542"	252.468324	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M-3H"	-3.021828
"503346"	379.206124	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M-3H"	-3.021828
"884064"	125.730524	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-3H"	-3.021828
"11388"	379.206124	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M-2H"	-2.014552
"450949"	569.312824	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M-2H"	-2.014552
"823283"	189.099424	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-2H"	-2.014552
"82545"	759.419524	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M-H"	-1.007276
"532314"	1139.632924	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M-H"	-1.007276
"910730"	379.206124	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-H"	-1.007276
"62439"	776.446071	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M-2H+NH4"	16.019271
"502642"	1156.659471	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M-2H+NH4"	16.019271
"879672"	396.232671	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-2H+NH4"	16.019271
"44297"	781.401466	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M-2H+Na"	20.974666
"485682"	1161.614866	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M-2H+Na"	20.974666
"862389"	401.188066	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-2H+Na"	20.974666
"1633377"	401.188066	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Na-2H"	20.974666
"108082"	397.194463	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M-H+Cl"	33.962126
"544360"	587.301163	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M-H+Cl"	33.962126
"936786"	207.087763	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-H+Cl"	33.962126
"273155"	795.396202	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+Cl"	34.969402
"667764"	1175.609602	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+Cl"	34.969402
"1280169"	415.182802	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Cl"	34.969402
"27099"	797.375406	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M-2H+K"	36.948606
"461190"	1177.588806	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M-2H+K"	36.948606
"835713"	417.162006	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-2H+K"	36.948606
"1559563"	417.162006	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+K-2H"	36.948606
"948177"	425.211594	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-H+HCOOH"	44.998194
"366393"	805.425001	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+HCOOH-H"	44.998201
"351372"	819.440651	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+Hac-H"	59.013851
"1494736"	439.227251	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Hac-H"	59.013851
"971765"	447.193551	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-H+NaCOOH"	66.980151
"121036"	415.182802	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+2Cl"	69.938804
"557315"	605.289502	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+2Cl"	69.938804
"1032677"	225.076102	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2Cl"	69.938804
"1255904"	459.132285	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Br"	78.918885
"1319086"	461.188272	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Cl+HCOOH"	80.974872
"1333663"	483.170229	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Cl+NaCOOH"	102.956829
"924354"	493.198986	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M-H+CF3COOH"	112.985586
"1303248"	529.175664	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Cl+CF3COOH"	148.962264
"1379222"	345.200724	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H-2H2O"	-35.012676
"1396717"	363.2107	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H-H2O"	-17.0027
"297496"	761.434076	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+H"	1.007276
"689920"	1141.647476	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+H"	1.007276
"1362988"	381.220676	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H"	1.007276
"135875"	381.220676	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+2H"	2.014552
"574341"	571.327376	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+2H"	2.014552
"1045329"	191.113976	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2H"	2.014552
"208854"	254.482876	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+3H"	3.021828
"651703"	381.220676	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+3H"	3.021828
"1167273"	127.745076	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+3H"	3.021828
"426532"	778.460623	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+NH4"	18.033823
"794100"	1158.674023	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+NH4"	18.033823
"1692619"	398.247223	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+NH4"	18.033823
"345441"	389.7339495	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+H+NH4"	19.041099
"737698"	579.8406495	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+H+NH4"	19.041099
"1492246"	199.6272495	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H+NH4"	19.041099
"401446"	783.416018	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+Na"	22.989218
"763535"	1163.629418	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+Na"	22.989218
"1613821"	403.202618	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Na"	22.989218
"329693"	392.211647	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+H+Na"	23.996494
"716279"	582.318347	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+H+Na"	23.996494
"1476300"	202.104947	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H+Na"	23.996494
"1067357"	135.07239	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2H+Na"	25.00377
"1271222"	413.246886	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+CH3OH+H"	33.033486
"390892"	799.389958	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+K"	38.963158
"752248"	1179.603358	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+K"	38.963158
"1549926"	419.176558	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+K"	38.963158
"310385"	400.198617	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+H+K"	39.970434
"699525"	590.305317	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+H+K"	39.970434
"1451161"	210.091917	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H+K"	39.970434
"248145"	802.460626	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+ACN+H"	42.033826
"1219030"	422.247226	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+ACN+H"	42.033826
"1201819"	211.627251	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+ACN+2H"	43.041102
"197240"	805.39796	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+2Na-H"	44.97116
"634614"	1185.61136	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+2Na-H"	44.97116
"1142130"	425.18456	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2Na-H"	44.97116
"174242"	403.202618	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+2Na"	45.978436
"626081"	593.309318	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+2Na"	45.978436
"1131017"	213.095918	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2Na"	45.978436
"1412872"	142.399704	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H+2Na"	46.985712
"1445118"	427.226146	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H+HCOOH"	47.012746
"234570"	408.23564	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+3H2O+2H"	56.04448
"1522997"	441.27819	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+IsoProp+H"	61.06479
"422320"	411.189588	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+Na+K"	61.952376
"784043"	601.296288	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+Na+K"	61.952376
"1680738"	221.082888	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Na+K"	61.952376
"266040"	824.442568	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+ACN+Na"	64.015768
"1238871"	444.229168	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+ACN+Na"	64.015768
"1726299"	444.252693	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+NH4+HCOOH"	64.039293
"1190194"	149.727018	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+3Na"	68.967654
"1663370"	449.208088	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Na+HCOOH"	68.994688
"170593"	837.34584	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+2K-H"	76.91904
"610154"	1217.55924	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+2K-H"	76.91904
"1097581"	457.13244	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2K-H"	76.91904
"152208"	419.176558	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"2M+2K"	77.926316
"595053"	609.283258	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"3M+2K"	77.926316
"1082119"	229.069858	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2K"	77.926316
"1104027"	459.146992	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2K+H"	78.933592
"1348079"	459.234607	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+DMSO+H"	79.021207
"1011142"	463.273776	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2ACN+H"	83.060376
"1533640"	464.267408	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+IsoProp+Na+H"	84.054008
"998994"	232.140526	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+2ACN+2H"	84.067652
"1596776"	465.182028	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+K+HCOOH"	84.968628
"1424624"	495.213538	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+H+CF3COOH"	115.000138
"1149449"	252.653801	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+3ACN+2H"	125.094202
"1706654"	512.240085	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+NH4+CF3COOH"	132.026685
"1646678"	517.19548	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+Na+CF3COOH"	136.98208
"1582328"	533.16942	"C18416"	"Carbosulfan"	"C20H32N2O3S"	"380.2134"	"M+K+CF3COOH"	152.95602
"806131"	300.111	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M"	0
"981850"	281.09261	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-H2O-H"	-19.01839
"68998"	199.066724	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M-3H"	-3.021828
"506372"	299.103724	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M-3H"	-3.021828
"884174"	99.029724	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-3H"	-3.021828
"11498"	299.103724	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M-2H"	-2.014552
"451059"	449.159224	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M-2H"	-2.014552
"823393"	149.048224	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-2H"	-2.014552
"80103"	599.214724	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M-H"	-1.007276
"531818"	899.325724	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M-H"	-1.007276
"910969"	299.103724	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-H"	-1.007276
"62429"	616.241271	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M-2H+NH4"	16.019271
"502304"	916.352271	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M-2H+NH4"	16.019271
"879297"	316.130271	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-2H+NH4"	16.019271
"44773"	621.196666	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M-2H+Na"	20.974666
"487095"	921.307666	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M-2H+Na"	20.974666
"862867"	321.085666	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-2H+Na"	20.974666
"1632399"	321.085666	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Na-2H"	20.974666
"108071"	317.092063	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M-H+Cl"	33.962126
"544470"	467.147563	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M-H+Cl"	33.962126
"936896"	167.036563	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-H+Cl"	33.962126
"272172"	635.191402	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+Cl"	34.969402
"667874"	935.302402	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+Cl"	34.969402
"1282466"	335.080402	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Cl"	34.969402
"28303"	637.170606	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M-2H+K"	36.948606
"460207"	937.281606	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M-2H+K"	36.948606
"835824"	337.059606	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-2H+K"	36.948606
"1556880"	337.059606	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+K-2H"	36.948606
"950474"	345.109194	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-H+HCOOH"	44.998194
"366503"	645.220201	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+HCOOH-H"	44.998201
"351482"	659.235851	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+Hac-H"	59.013851
"1492982"	359.124851	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Hac-H"	59.013851
"973821"	367.091151	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-H+NaCOOH"	66.980151
"123698"	335.080402	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+2Cl"	69.938804
"562892"	485.135902	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+2Cl"	69.938804
"1035826"	185.024902	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2Cl"	69.938804
"1256014"	379.029885	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Br"	78.918885
"1313721"	381.085872	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Cl+HCOOH"	80.974872
"1331217"	403.067829	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Cl+NaCOOH"	102.956829
"923368"	413.096586	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M-H+CF3COOH"	112.985586
"1302265"	449.073264	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Cl+CF3COOH"	148.962264
"1380429"	265.098324	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H-2H2O"	-35.012676
"1395734"	283.1083	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H-H2O"	-17.0027
"291046"	601.229276	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+H"	1.007276
"687843"	901.340276	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+H"	1.007276
"1362004"	301.118276	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H"	1.007276
"132705"	301.118276	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+2H"	2.014552
"567160"	451.173776	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+2H"	2.014552
"1042159"	151.062776	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2H"	2.014552
"207870"	201.081276	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+3H"	3.021828
"651812"	301.118276	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+3H"	3.021828
"1167383"	101.044276	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+3H"	3.021828
"426281"	618.255823	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+NH4"	18.033823
"796397"	918.366823	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+NH4"	18.033823
"1693824"	318.144823	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+NH4"	18.033823
"344289"	309.6315495	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+H+NH4"	19.041099
"737688"	459.6870495	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+H+NH4"	19.041099
"1491507"	159.5760495	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H+NH4"	19.041099
"401556"	623.211218	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+Na"	22.989218
"763645"	923.322218	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+Na"	22.989218
"1612838"	323.100218	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Na"	22.989218
"327979"	312.109247	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+H+Na"	23.996494
"718211"	462.164747	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+H+Na"	23.996494
"1471299"	162.053747	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H+Na"	23.996494
"1064911"	108.37159	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2H+Na"	25.00377
"1268780"	333.144486	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+CH3OH+H"	33.033486
"389176"	639.185158	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+K"	38.963158
"750170"	939.296158	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+K"	38.963158
"1548939"	339.074158	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+K"	38.963158
"312683"	320.096217	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+H+K"	39.970434
"699637"	470.151717	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+H+K"	39.970434
"1457831"	170.040717	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H+K"	39.970434
"247525"	642.255826	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+ACN+H"	42.033826
"1218046"	342.144826	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+ACN+H"	42.033826
"1203022"	171.576051	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+ACN+2H"	43.041102
"199173"	645.19316	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+2Na-H"	44.97116
"634360"	945.30416	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+2Na-H"	44.97116
"1140052"	345.08216	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2Na-H"	44.97116
"175324"	323.100218	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+2Na"	45.978436
"626069"	473.155718	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+2Na"	45.978436
"1129953"	173.044718	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2Na"	45.978436
"1413841"	115.698904	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H+2Na"	46.985712
"1444860"	347.123746	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H+HCOOH"	47.012746
"232495"	328.13324	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+3H2O+2H"	56.04448
"1520923"	361.17579	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+IsoProp+H"	61.06479
"422792"	331.087188	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+Na+K"	61.952376
"783425"	481.142688	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+Na+K"	61.952376
"1677930"	181.031688	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Na+K"	61.952376
"265178"	664.237768	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+ACN+Na"	64.015768
"1238253"	364.126768	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+ACN+Na"	64.015768
"1724222"	364.150293	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+NH4+HCOOH"	64.039293
"1189574"	123.026218	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+3Na"	68.967654
"1662023"	369.105688	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Na+HCOOH"	68.994688
"168153"	677.14104	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+2K-H"	76.91904
"608439"	977.25204	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+2K-H"	76.91904
"1097329"	377.03004	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2K-H"	76.91904
"153412"	339.074158	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"2M+2K"	77.926316
"587506"	489.129658	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"3M+2K"	77.926316
"1075299"	189.018658	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2K"	77.926316
"1104137"	379.044592	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2K+H"	78.933592
"1350375"	379.132207	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+DMSO+H"	79.021207
"1012347"	383.171376	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2ACN+H"	83.060376
"1535938"	384.165008	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+IsoProp+Na+H"	84.054008
"1004207"	192.089326	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+2ACN+2H"	84.067652
"1598709"	385.079628	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+K+HCOOH"	84.968628
"1423641"	415.111138	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+H+CF3COOH"	115.000138
"1152839"	212.602601	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+3ACN+2H"	125.094202
"1708951"	432.137685	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+NH4+CF3COOH"	132.026685
"1647882"	437.09308	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+Na+CF3COOH"	136.98208
"1582438"	453.06702	"C18417"	"Desmedipham"	"C16H16N2O4"	"300.111"	"M+K+CF3COOH"	152.95602
"803689"	193.1103	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M"	0
"983053"	174.09191	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-H2O-H"	-19.01839
"64369"	127.732924	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M-3H"	-3.021828
"504659"	192.103024	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M-3H"	-3.021828
"881001"	63.362824	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-3H"	-3.021828
"11608"	192.103024	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M-2H"	-2.014552
"452262"	288.658174	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M-2H"	-2.014552
"823503"	95.547874	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-2H"	-2.014552
"81307"	385.213324	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M-H"	-1.007276
"532292"	578.323624	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M-H"	-1.007276
"910796"	192.103024	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-H"	-1.007276
"62623"	402.239871	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M-2H+NH4"	16.019271
"501969"	595.350171	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M-2H+NH4"	16.019271
"878926"	209.129571	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-2H+NH4"	16.019271
"46752"	407.195266	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M-2H+Na"	20.974666
"486271"	600.305566	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M-2H+Na"	20.974666
"862735"	214.084966	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-2H+Na"	20.974666
"1632751"	214.084966	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Na-2H"	20.974666
"106115"	210.091363	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M-H+Cl"	33.962126
"543488"	306.646513	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M-H+Cl"	33.962126
"937006"	113.536213	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-H+Cl"	33.962126
"272282"	421.190002	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+Cl"	34.969402
"667984"	614.300302	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+Cl"	34.969402
"1283669"	228.079702	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Cl"	34.969402
"29142"	423.169206	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M-2H+K"	36.948606
"460317"	616.279506	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M-2H+K"	36.948606
"835929"	230.058906	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-2H+K"	36.948606
"1558327"	230.058906	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+K-2H"	36.948606
"945117"	238.108494	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-H+HCOOH"	44.998194
"364425"	431.218801	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+HCOOH-H"	44.998201
"350499"	445.234451	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+Hac-H"	59.013851
"1496049"	252.124151	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Hac-H"	59.013851
"960307"	260.090451	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-H+NaCOOH"	66.980151
"121252"	228.079702	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+2Cl"	69.938804
"558628"	324.634852	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+2Cl"	69.938804
"1032895"	131.524552	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2Cl"	69.938804
"1255761"	272.029185	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Br"	78.918885
"1318206"	274.085172	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Cl+HCOOH"	80.974872
"1331327"	296.067129	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Cl+NaCOOH"	102.956829
"923479"	306.095886	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M-H+CF3COOH"	112.985586
"1303715"	342.072564	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Cl+CF3COOH"	148.962264
"1381268"	158.097624	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H-2H2O"	-35.012676
"1393657"	176.1076	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H-H2O"	-17.0027
"294435"	387.227876	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+H"	1.007276
"689046"	580.338176	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+H"	1.007276
"1363207"	194.117576	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H"	1.007276
"132815"	194.117576	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+2H"	2.014552
"569456"	290.672726	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+2H"	2.014552
"1043362"	97.562426	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2H"	2.014552
"208708"	129.747476	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+3H"	3.021828
"653015"	194.117576	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+3H"	3.021828
"1166764"	65.377376	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+3H"	3.021828
"428577"	404.254423	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+NH4"	18.033823
"799422"	597.364723	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+NH4"	18.033823
"1694298"	211.144123	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+NH4"	18.033823
"344525"	202.6308495	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+H+NH4"	19.041099
"736092"	299.1859995	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+H+NH4"	19.041099
"1490646"	106.0756995	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H+NH4"	19.041099
"405311"	409.209818	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+Na"	22.989218
"767035"	602.320118	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+Na"	22.989218
"1614041"	216.099518	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Na"	22.989218
"325537"	205.108547	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+H+Na"	23.996494
"720142"	301.663697	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+H+Na"	23.996494
"1471409"	108.553397	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H+Na"	23.996494
"1065749"	72.70469	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2H+Na"	25.00377
"1270347"	226.143786	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+CH3OH+H"	33.033486
"391478"	425.183758	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+K"	38.963158
"751377"	618.294058	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+K"	38.963158
"1551237"	232.073458	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+K"	38.963158
"312428"	213.095517	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+H+K"	39.970434
"701933"	309.650667	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+H+K"	39.970434
"1456847"	116.540367	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H+K"	39.970434
"247271"	428.254426	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+ACN+H"	42.033826
"1215969"	235.144126	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+ACN+H"	42.033826
"1205318"	118.075701	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+ACN+2H"	43.041102
"200376"	431.19176	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+2Na-H"	44.97116
"635565"	624.30206	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+2Na-H"	44.97116
"1140162"	238.08146	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2Na-H"	44.97116
"174461"	216.099518	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+2Na"	45.978436
"626300"	312.654668	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+2Na"	45.978436
"1130304"	119.544368	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2Na"	45.978436
"1412610"	80.032004	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H+2Na"	46.985712
"1445335"	240.123046	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H+HCOOH"	47.012746
"234911"	221.13254	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+3H2O+2H"	56.04448
"1522124"	254.17509	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+IsoProp+H"	61.06479
"421442"	224.086488	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+Na+K"	61.952376
"782440"	320.641638	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+Na+K"	61.952376
"1679498"	127.531338	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Na+K"	61.952376
"265651"	450.236368	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+ACN+Na"	64.015768
"1237268"	257.126068	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+ACN+Na"	64.015768
"1725789"	257.149593	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+NH4+HCOOH"	64.039293
"1191142"	87.359318	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+3Na"	68.967654
"1662859"	262.104988	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Na+HCOOH"	68.994688
"170084"	463.13964	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+2K-H"	76.91904
"608913"	656.24994	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+2K-H"	76.91904
"1094519"	270.02934	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2K-H"	76.91904
"152062"	232.073458	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"2M+2K"	77.926316
"587616"	328.628608	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"3M+2K"	77.926316
"1075409"	135.518308	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2K"	77.926316
"1102423"	272.043892	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2K+H"	78.933592
"1350489"	272.131507	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+DMSO+H"	79.021207
"1021079"	276.170676	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2ACN+H"	83.060376
"1533861"	277.164308	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+IsoProp+Na+H"	84.054008
"1002496"	138.588976	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+2ACN+2H"	84.067652
"1599184"	278.078928	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+K+HCOOH"	84.968628
"1424844"	308.110438	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+H+CF3COOH"	115.000138
"1152950"	159.102251	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+3ACN+2H"	125.094202
"1710155"	325.136985	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+NH4+CF3COOH"	132.026685
"1648721"	330.09238	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+Na+CF3COOH"	136.98208
"1582548"	346.06632	"C18418"	"Isoprocarb"	"C11H15NO2"	"193.1103"	"M+K+CF3COOH"	152.95602
"803071"	219.0678	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M"	0
"977696"	200.04941	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-H2O-H"	-19.01839
"65938"	145.037924	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M-3H"	-3.021828
"506592"	218.060524	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M-3H"	-3.021828
"881476"	72.015324	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-3H"	-3.021828
"14151"	218.060524	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M-2H"	-2.014552
"451279"	327.594424	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M-2H"	-2.014552
"823613"	108.526624	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-2H"	-2.014552
"83604"	437.128324	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M-H"	-1.007276
"531673"	656.196124	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M-H"	-1.007276
"910828"	218.060524	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-H"	-1.007276
"62167"	454.154871	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M-2H+NH4"	16.019271
"502320"	673.222671	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M-2H+NH4"	16.019271
"879682"	235.087071	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-2H+NH4"	16.019271
"45855"	459.110266	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M-2H+Na"	20.974666
"486252"	678.178066	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M-2H+Na"	20.974666
"862718"	240.042466	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-2H+Na"	20.974666
"1633345"	240.042466	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Na-2H"	20.974666
"106225"	236.048863	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M-H+Cl"	33.962126
"543598"	345.582763	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M-H+Cl"	33.962126
"936023"	126.514963	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-H+Cl"	33.962126
"273486"	473.105002	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+Cl"	34.969402
"663720"	692.172802	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+Cl"	34.969402
"1283779"	254.037202	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Cl"	34.969402
"29616"	475.084206	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M-2H+K"	36.948606
"459334"	694.152006	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M-2H+K"	36.948606
"836043"	256.016406	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-2H+K"	36.948606
"1557344"	256.016406	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+K-2H"	36.948606
"946320"	264.065994	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-H+HCOOH"	44.998194
"362349"	483.133801	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+HCOOH-H"	44.998201
"350609"	497.149451	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+Hac-H"	59.013851
"1492998"	278.081651	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Hac-H"	59.013851
"959199"	286.047951	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-H+NaCOOH"	66.980151
"123550"	254.037202	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+2Cl"	69.938804
"562018"	363.571102	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+2Cl"	69.938804
"1036285"	144.503302	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2Cl"	69.938804
"1253680"	297.986685	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Br"	78.918885
"1318681"	300.042672	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Cl+HCOOH"	80.974872
"1331437"	322.024629	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Cl+NaCOOH"	102.956829
"923589"	332.053386	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M-H+CF3COOH"	112.985586
"1303703"	368.030064	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Cl+CF3COOH"	148.962264
"1382552"	184.055124	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H-2H2O"	-35.012676
"1395955"	202.0651	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H-H2O"	-17.0027
"293452"	439.142876	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+H"	1.007276
"688063"	658.210676	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+H"	1.007276
"1361131"	220.075076	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H"	1.007276
"132925"	220.075076	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+2H"	2.014552
"570298"	329.608976	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+2H"	2.014552
"1042379"	110.541176	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2H"	2.014552
"207361"	147.052476	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+3H"	3.021828
"654220"	220.075076	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+3H"	3.021828
"1166874"	74.029876	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+3H"	3.021828
"426864"	456.169423	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+NH4"	18.033823
"794427"	675.237223	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+NH4"	18.033823
"1695865"	237.101623	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+NH4"	18.033823
"344506"	228.5883495	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+H+NH4"	19.041099
"736564"	338.1222495	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+H+NH4"	19.041099
"1488199"	119.0544495	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H+NH4"	19.041099
"403963"	461.124818	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+Na"	22.989218
"764959"	680.192618	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+Na"	22.989218
"1611964"	242.057018	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Na"	22.989218
"326375"	231.066047	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+H+Na"	23.996494
"717700"	340.599947	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+H+Na"	23.996494
"1474799"	121.532147	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H+Na"	23.996494
"1062579"	81.35719	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2H+Na"	25.00377
"1270820"	252.101286	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+CH3OH+H"	33.033486
"390859"	477.098758	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+K"	38.963158
"751851"	696.166558	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+K"	38.963158
"1551347"	258.030958	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+K"	38.963158
"311809"	239.053017	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+H+K"	39.970434
"702773"	348.586917	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+H+K"	39.970434
"1456957"	129.519117	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H+K"	39.970434
"247380"	480.169426	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+ACN+H"	42.033826
"1221912"	261.101626	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+ACN+H"	42.033826
"1205428"	131.054451	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+ACN+2H"	43.041102
"199758"	483.10676	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+2Na-H"	44.97116
"636768"	702.17456	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+2Na-H"	44.97116
"1144282"	264.03896	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2Na-H"	44.97116
"174571"	242.057018	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+2Na"	45.978436
"626046"	351.590918	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+2Na"	45.978436
"1130293"	132.523118	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2Na"	45.978436
"1413083"	88.684504	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H+2Na"	46.985712
"1441184"	266.080546	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H+HCOOH"	47.012746
"234896"	247.09004	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+3H2O+2H"	56.04448
"1522599"	280.13259	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+IsoProp+H"	61.06479
"421559"	250.043988	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+Na+K"	61.952376
"782913"	359.577888	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+Na+K"	61.952376
"1678878"	140.510088	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Na+K"	61.952376
"263574"	502.151368	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+ACN+Na"	64.015768
"1237015"	283.083568	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+ACN+Na"	64.015768
"1725901"	283.107093	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+NH4+HCOOH"	64.039293
"1189065"	96.011818	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+3Na"	68.967654
"1661145"	288.062488	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Na+HCOOH"	68.994688
"168737"	515.05464	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+2K-H"	76.91904
"609389"	734.12244	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+2K-H"	76.91904
"1098277"	295.98684	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2K-H"	76.91904
"151810"	258.030958	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"2M+2K"	77.926316
"587726"	367.564858	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"3M+2K"	77.926316
"1072239"	148.497058	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2K"	77.926316
"1101802"	298.001392	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2K+H"	78.933592
"1351047"	298.089007	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+DMSO+H"	79.021207
"1015842"	302.128176	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2ACN+H"	83.060376
"1535059"	303.121808	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+IsoProp+Na+H"	84.054008
"1003336"	151.567726	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+2ACN+2H"	84.067652
"1598201"	304.036428	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+K+HCOOH"	84.968628
"1423861"	334.067938	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+H+CF3COOH"	115.000138
"1156340"	172.081001	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+3ACN+2H"	125.094202
"1711966"	351.094485	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+NH4+CF3COOH"	132.026685
"1649683"	356.04988	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+Na+CF3COOH"	136.98208
"1582658"	372.02382	"C18419"	"Oxamyl"	"C7H13N3O3S"	"219.0678"	"M+K+CF3COOH"	152.95602
"803181"	300.111	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M"	0
"976713"	281.09261	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-H2O-H"	-19.01839
"66049"	199.066724	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M-3H"	-3.021828
"506702"	299.103724	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M-3H"	-3.021828
"880614"	99.029724	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-3H"	-3.021828
"15113"	299.103724	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M-2H"	-2.014552
"452118"	449.159224	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M-2H"	-2.014552
"823723"	149.048224	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-2H"	-2.014552
"82621"	599.214724	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M-H"	-1.007276
"531661"	899.325724	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M-H"	-1.007276
"910564"	299.103724	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-H"	-1.007276
"62727"	616.241271	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M-2H+NH4"	16.019271
"500484"	916.352271	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M-2H+NH4"	16.019271
"878896"	316.130271	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-2H+NH4"	16.019271
"46650"	621.196666	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M-2H+Na"	20.974666
"486742"	921.307666	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M-2H+Na"	20.974666
"863799"	321.085666	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-2H+Na"	20.974666
"1633981"	321.085666	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Na-2H"	20.974666
"106335"	317.092063	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M-H+Cl"	33.962126
"543708"	467.147563	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M-H+Cl"	33.962126
"940506"	167.036563	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-H+Cl"	33.962126
"274689"	635.191402	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+Cl"	34.969402
"663830"	935.302402	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+Cl"	34.969402
"1283889"	335.080402	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Cl"	34.969402
"28633"	637.170606	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M-2H+K"	36.948606
"459444"	937.281606	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M-2H+K"	36.948606
"836153"	337.059606	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-2H+K"	36.948606
"1557454"	337.059606	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+K-2H"	36.948606
"946430"	345.109194	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-H+HCOOH"	44.998194
"362823"	645.220201	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+HCOOH-H"	44.998201
"349620"	659.235851	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+Hac-H"	59.013851
"1495171"	359.124851	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Hac-H"	59.013851
"959549"	367.091151	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-H+NaCOOH"	66.980151
"113814"	335.080402	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+2Cl"	69.938804
"562128"	485.135902	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+2Cl"	69.938804
"1035667"	185.024902	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2Cl"	69.938804
"1256709"	379.029885	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Br"	78.918885
"1318063"	381.085872	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Cl+HCOOH"	80.974872
"1334827"	403.067829	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Cl+NaCOOH"	102.956829
"924432"	413.096586	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M-H+CF3COOH"	112.985586
"1303572"	449.073264	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Cl+CF3COOH"	148.962264
"1382340"	265.098324	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H-2H2O"	-35.012676
"1397524"	283.1083	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H-H2O"	-17.0027
"293562"	601.229276	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+H"	1.007276
"678328"	901.340276	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+H"	1.007276
"1361241"	301.118276	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H"	1.007276
"131942"	301.118276	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+2H"	2.014552
"569679"	451.173776	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+2H"	2.014552
"1042489"	151.062776	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2H"	2.014552
"207106"	201.081276	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+3H"	3.021828
"655788"	301.118276	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+3H"	3.021828
"1167714"	101.044276	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+3H"	3.021828
"426973"	618.255823	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+NH4"	18.033823
"796724"	918.366823	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+NH4"	18.033823
"1694882"	318.144823	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+NH4"	18.033823
"341338"	309.6315495	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+H+NH4"	19.041099
"734852"	459.6870495	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+H+NH4"	19.041099
"1488310"	159.5760495	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H+NH4"	19.041099
"402980"	623.211218	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+Na"	22.989218
"765068"	923.322218	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+Na"	22.989218
"1614988"	323.100218	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Na"	22.989218
"326485"	312.109247	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+H+Na"	23.996494
"716717"	462.164747	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+H+Na"	23.996494
"1468350"	162.053747	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H+Na"	23.996494
"1061596"	108.37159	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2H+Na"	25.00377
"1271294"	333.144486	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+CH3OH+H"	33.033486
"390603"	639.185158	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+K"	38.963158
"750501"	939.296158	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+K"	38.963158
"1550365"	339.074158	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+K"	38.963158
"312648"	320.096217	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+H+K"	39.970434
"703976"	470.151717	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+H+K"	39.970434
"1458890"	170.040717	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H+K"	39.970434
"245669"	642.255826	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+ACN+H"	42.033826
"1223117"	342.144826	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+ACN+H"	42.033826
"1205540"	171.576051	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+ACN+2H"	43.041102
"197316"	645.19316	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+2Na-H"	44.97116
"633598"	945.30416	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+2Na-H"	44.97116
"1143665"	345.08216	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2Na-H"	44.97116
"174923"	323.100218	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+2Na"	45.978436
"622144"	473.155718	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+2Na"	45.978436
"1130277"	173.044718	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2Na"	45.978436
"1413316"	115.698904	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H+2Na"	46.985712
"1442025"	347.123746	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H+HCOOH"	47.012746
"234642"	328.13324	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+3H2O+2H"	56.04448
"1523521"	361.17579	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+IsoProp+H"	61.06479
"422027"	331.087188	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+Na+K"	61.952376
"782296"	481.142688	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+Na+K"	61.952376
"1678259"	181.031688	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Na+K"	61.952376
"265141"	664.237768	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+ACN+Na"	64.015768
"1238218"	364.126768	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+ACN+Na"	64.015768
"1727468"	364.150293	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+NH4+HCOOH"	64.039293
"1189539"	123.026218	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+3Na"	68.967654
"1658341"	369.105688	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Na+HCOOH"	68.994688
"167025"	677.14104	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+2K-H"	76.91904
"609134"	977.25204	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+2K-H"	76.91904
"1093281"	377.03004	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2K-H"	76.91904
"155202"	339.074158	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"2M+2K"	77.926316
"590023"	489.129658	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"3M+2K"	77.926316
"1076720"	189.018658	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2K"	77.926316
"1106648"	379.044592	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2K+H"	78.933592
"1351273"	379.132207	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+DMSO+H"	79.021207
"1018138"	383.171376	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2ACN+H"	83.060376
"1534076"	384.165008	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+IsoProp+Na+H"	84.054008
"1003808"	192.089326	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+2ACN+2H"	84.067652
"1595030"	385.079628	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+K+HCOOH"	84.968628
"1423969"	415.111138	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+H+CF3COOH"	115.000138
"1156450"	212.602601	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+3ACN+2H"	125.094202
"1712319"	432.137685	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+NH4+CF3COOH"	132.026685
"1649671"	437.09308	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+Na+CF3COOH"	136.98208
"1582768"	453.06702	"C18420"	"Phenmedipham"	"C16H16N2O4"	"300.111"	"M+K+CF3COOH"	152.95602
"804384"	224.1292	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M"	0
"980103"	205.11081	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-H2O-H"	-19.01839
"67252"	148.412190666667	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M-3H"	-3.021828
"507176"	223.121924	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M-3H"	-3.021828
"883518"	73.7024573333333	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-3H"	-3.021828
"15507"	223.121924	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M-2H"	-2.014552
"452228"	335.186524	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M-2H"	-2.014552
"823833"	111.057324	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-2H"	-2.014552
"83459"	447.251124	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M-H"	-1.007276
"531042"	671.380324	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M-H"	-1.007276
"911288"	223.121924	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-H"	-1.007276
"62832"	464.277671	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M-2H+NH4"	16.019271
"500594"	688.406871	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M-2H+NH4"	16.019271
"879574"	240.148471	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-2H+NH4"	16.019271
"46797"	469.233066	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M-2H+Na"	20.974666
"486429"	693.362266	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M-2H+Na"	20.974666
"864033"	245.103866	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-2H+Na"	20.974666
"1633931"	245.103866	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Na-2H"	20.974666
"106445"	241.110263	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M-H+Cl"	33.962126
"546005"	353.174863	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M-H+Cl"	33.962126
"935144"	129.045663	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-H+Cl"	33.962126
"276985"	483.227802	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+Cl"	34.969402
"666126"	707.357002	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+Cl"	34.969402
"1282906"	259.098602	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Cl"	34.969402
"21088"	485.207006	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M-2H+K"	36.948606
"460646"	709.336206	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M-2H+K"	36.948606
"838449"	261.077806	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-2H+K"	36.948606
"1559750"	261.077806	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+K-2H"	36.948606
"945445"	269.127394	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-H+HCOOH"	44.998194
"365847"	493.256601	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+HCOOH-H"	44.998201
"346813"	507.272251	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+Hac-H"	59.013851
"1493820"	283.143051	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Hac-H"	59.013851
"959173"	291.109351	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-H+NaCOOH"	66.980151
"113924"	259.098602	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+2Cl"	69.938804
"562238"	371.163202	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+2Cl"	69.938804
"1036711"	147.034002	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2Cl"	69.938804
"1256738"	303.048085	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Br"	78.918885
"1318900"	305.104072	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Cl+HCOOH"	80.974872
"1334937"	327.086029	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Cl+NaCOOH"	102.956829
"925269"	337.114786	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M-H+CF3COOH"	112.985586
"1303684"	373.091464	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Cl+CF3COOH"	148.962264
"1382208"	189.116524	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H-2H2O"	-35.012676
"1397760"	207.1265	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H-H2O"	-17.0027
"296954"	449.265676	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+H"	1.007276
"683906"	673.394876	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+H"	1.007276
"1363537"	225.136476	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H"	1.007276
"132052"	225.136476	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+2H"	2.014552
"569425"	337.201076	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+2H"	2.014552
"1042599"	113.071876	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2H"	2.014552
"207582"	150.426742666667	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+3H"	3.021828
"654439"	225.136476	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+3H"	3.021828
"1167824"	75.7170093333333	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+3H"	3.021828
"425627"	466.292223	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+NH4"	18.033823
"796834"	690.421423	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+NH4"	18.033823
"1695356"	242.163023	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+NH4"	18.033823
"345304"	233.6497495	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+H+NH4"	19.041099
"737150"	345.7143495	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+H+NH4"	19.041099
"1492355"	121.5851495	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H+NH4"	19.041099
"406370"	471.247618	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+Na"	22.989218
"768458"	695.376818	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+Na"	22.989218
"1614369"	247.118418	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Na"	22.989218
"325501"	236.127447	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+H+Na"	23.996494
"716827"	348.192047	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+H+Na"	23.996494
"1468460"	124.062847	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H+Na"	23.996494
"1059519"	83.0443233333333	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2H+Na"	25.00377
"1271040"	257.162686	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+CH3OH+H"	33.033486
"390709"	487.221558	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+K"	38.963158
"753814"	711.350758	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+K"	38.963158
"1550475"	263.092358	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+K"	38.963158
"312880"	244.114417	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+H+K"	39.970434
"705545"	356.179017	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+H+K"	39.970434
"1459729"	132.049817	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H+K"	39.970434
"245779"	490.292226	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+ACN+H"	42.033826
"1222863"	266.163026	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+ACN+H"	42.033826
"1204557"	133.585151	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+ACN+2H"	43.041102
"197426"	493.22956	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+2Na-H"	44.97116
"633708"	717.35876	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+2Na-H"	44.97116
"1142679"	269.10036	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2Na-H"	44.97116
"176491"	247.118418	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+2Na"	45.978436
"621890"	359.183018	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+2Na"	45.978436
"1131200"	135.053818	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2Na"	45.978436
"1413992"	90.3716373333333	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H+2Na"	46.985712
"1443592"	271.141946	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H+HCOOH"	47.012746
"235669"	252.15144	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+3H2O+2H"	56.04448
"1523959"	285.19399	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+IsoProp+H"	61.06479
"423967"	255.105388	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+Na+K"	61.952376
"783863"	367.169988	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+Na+K"	61.952376
"1678369"	143.040788	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Na+K"	61.952376
"266468"	512.274168	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+ACN+Na"	64.015768
"1240514"	288.144968	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+ACN+Na"	64.015768
"1726485"	288.168493	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+NH4+HCOOH"	64.039293
"1191108"	97.6989513333333	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+3Na"	68.967654
"1662097"	293.123888	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Na+HCOOH"	68.994688
"168228"	525.17744	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+2K-H"	76.91904
"609609"	749.30664	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+2K-H"	76.91904
"1094484"	301.04824	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2K-H"	76.91904
"152395"	263.092358	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"2M+2K"	77.926316
"591593"	375.156958	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"3M+2K"	77.926316
"1076831"	151.027758	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2K"	77.926316
"1110039"	303.062792	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2K+H"	78.933592
"1351149"	303.150407	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+DMSO+H"	79.021207
"1017154"	307.189576	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2ACN+H"	83.060376
"1536373"	308.183208	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+IsoProp+Na+H"	84.054008
"1003918"	154.098426	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+2ACN+2H"	84.067652
"1598420"	309.097828	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+K+HCOOH"	84.968628
"1421892"	339.129338	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+H+CF3COOH"	115.000138
"1157654"	174.611701	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+3ACN+2H"	125.094202
"1710484"	356.155885	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+NH4+CF3COOH"	132.026685
"1649785"	361.11128	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+Na+CF3COOH"	136.98208
"1582878"	377.08522	"C18421"	"Propamocarb hydrochloride"	"C9H21N2O2Cl"	"224.1292"	"M+K+CF3COOH"	152.95602
"806681"	330.1402	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M"	0
"976933"	311.12181	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-H2O-H"	-19.01839
"66269"	219.086190666667	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M-3H"	-3.021828
"504735"	329.132924	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M-3H"	-3.021828
"881805"	109.039457333333	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-3H"	-3.021828
"15091"	329.132924	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M-2H"	-2.014552
"452338"	494.203024	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M-2H"	-2.014552
"825036"	164.062824	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-2H"	-2.014552
"82841"	659.273124	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M-H"	-1.007276
"531152"	989.413324	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M-H"	-1.007276
"911269"	329.132924	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-H"	-1.007276
"62820"	676.299671	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M-2H+NH4"	16.019271
"498517"	1006.439871	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M-2H+NH4"	16.019271
"877413"	346.159471	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-2H+NH4"	16.019271
"46987"	681.255066	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M-2H+Na"	20.974666
"483783"	1011.395266	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M-2H+Na"	20.974666
"861952"	351.114866	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-2H+Na"	20.974666
"1632579"	351.114866	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Na-2H"	20.974666
"106555"	347.121263	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M-H+Cl"	33.962126
"545020"	512.191363	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M-H+Cl"	33.962126
"933067"	182.051163	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-H+Cl"	33.962126
"273815"	695.249802	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+Cl"	34.969402
"664414"	1025.390002	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+Cl"	34.969402
"1281923"	365.109602	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Cl"	34.969402
"21198"	697.229006	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M-2H+K"	36.948606
"459663"	1027.369206	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M-2H+K"	36.948606
"837466"	367.088806	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-2H+K"	36.948606
"1558765"	367.088806	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+K-2H"	36.948606
"944461"	375.138394	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-H+HCOOH"	44.998194
"365957"	705.278601	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+HCOOH-H"	44.998201
"345843"	719.294251	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+Hac-H"	59.013851
"1493080"	389.154051	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Hac-H"	59.013851
"958518"	397.120351	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-H+NaCOOH"	66.980151
"114034"	365.109602	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+2Cl"	69.938804
"562348"	530.179702	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+2Cl"	69.938804
"1034427"	200.039502	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2Cl"	69.938804
"1255832"	409.059085	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Br"	78.918885
"1319578"	411.115072	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Cl+HCOOH"	80.974872
"1335046"	433.097029	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Cl+NaCOOH"	102.956829
"923919"	443.125786	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M-H+CF3COOH"	112.985586
"1303181"	479.102464	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Cl+CF3COOH"	148.962264
"1381343"	295.127524	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H-2H2O"	-35.012676
"1397018"	313.1375	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H-H2O"	-17.0027
"294877"	661.287676	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+H"	1.007276
"677820"	991.427876	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+H"	1.007276
"1361461"	331.147476	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H"	1.007276
"132162"	331.147476	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+2H"	2.014552
"569535"	496.217576	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+2H"	2.014552
"1042709"	166.077376	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2H"	2.014552
"205627"	221.100742666667	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+3H"	3.021828
"654549"	331.147476	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+3H"	3.021828
"1167206"	111.054009333333	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+3H"	3.021828
"427560"	678.314223	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+NH4"	18.033823
"798037"	1008.454423	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+NH4"	18.033823
"1694738"	348.174023	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+NH4"	18.033823
"344967"	339.6607495	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+H+NH4"	19.041099
"735804"	504.7308495	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+H+NH4"	19.041099
"1492422"	174.5906495	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H+NH4"	19.041099
"405752"	683.269618	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+Na"	22.989218
"767840"	1013.409818	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+Na"	22.989218
"1615208"	353.129418	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Na"	22.989218
"325247"	342.138447	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+H+Na"	23.996494
"716937"	507.208547	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+H+Na"	23.996494
"1471850"	177.068347	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H+Na"	23.996494
"1062909"	118.381323333333	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2H+Na"	25.00377
"1268237"	363.173686	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+CH3OH+H"	33.033486
"391186"	699.243558	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+K"	38.963158
"752790"	1029.383758	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+K"	38.963158
"1550585"	369.103358	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+K"	38.963158
"312868"	350.125417	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+H+K"	39.970434
"706224"	515.195517	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+H+K"	39.970434
"1458746"	185.055317	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H+K"	39.970434
"244796"	702.314226	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+ACN+H"	42.033826
"1218598"	372.174026	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+ACN+H"	42.033826
"1204303"	186.590651	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+ACN+2H"	43.041102
"194256"	705.25156	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+2Na-H"	44.97116
"629807"	1035.39176	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+2Na-H"	44.97116
"1142789"	375.11136	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2Na-H"	44.97116
"174781"	353.129418	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+2Na"	45.978436
"622364"	518.199518	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+2Na"	45.978436
"1130247"	188.059318	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2Na"	45.978436
"1412681"	125.708637333333	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H+2Na"	46.985712
"1443338"	377.152946	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H+HCOOH"	47.012746
"234128"	358.16244	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+3H2O+2H"	56.04448
"1523654"	391.20499	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+IsoProp+H"	61.06479
"424193"	361.116388	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+Na+K"	61.952376
"784701"	526.186488	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+Na+K"	61.952376
"1680948"	196.046288	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Na+K"	61.952376
"266090"	724.296168	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+ACN+Na"	64.015768
"1240259"	394.155968	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+ACN+Na"	64.015768
"1727977"	394.179493	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+NH4+HCOOH"	64.039293
"1191947"	133.035951333333	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+3Na"	68.967654
"1662207"	399.134888	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Na+HCOOH"	68.994688
"168338"	737.19944	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+2K-H"	76.91904
"610085"	1067.33964	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+2K-H"	76.91904
"1096053"	407.05924	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2K-H"	76.91904
"154328"	369.103358	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"2M+2K"	77.926316
"591339"	534.173458	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"3M+2K"	77.926316
"1075848"	204.033258	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2K"	77.926316
"1110149"	409.073792	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2K+H"	78.933592
"1346543"	409.161407	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+DMSO+H"	79.021207
"1015078"	413.200576	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2ACN+H"	83.060376
"1537455"	414.194208	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+IsoProp+Na+H"	84.054008
"1003783"	207.103926	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+2ACN+2H"	84.067652
"1596343"	415.108828	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+K+HCOOH"	84.968628
"1418722"	445.140338	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+H+CF3COOH"	115.000138
"1158857"	227.617201	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+3ACN+2H"	125.094202
"1710594"	462.166885	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+NH4+CF3COOH"	132.026685
"1649810"	467.12228	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+Na+CF3COOH"	136.98208
"1582988"	483.09622	"C18422"	"Pyributicarb"	"C18H22N2O2S"	"330.1402"	"M+K+CF3COOH"	152.95602
"803511"	354.049	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M"	0
"975949"	335.03061	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-H2O-H"	-19.01839
"66379"	235.025390666667	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M-3H"	-3.021828
"505938"	353.041724	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M-3H"	-3.021828
"882644"	117.009057333333	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-3H"	-3.021828
"14838"	353.041724	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M-2H"	-2.014552
"454520"	530.066224	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M-2H"	-2.014552
"830250"	176.017224	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-2H"	-2.014552
"86232"	707.090724	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M-H"	-1.007276
"533453"	1061.139724	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M-H"	-1.007276
"911308"	353.041724	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-H"	-1.007276
"62358"	724.117271	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M-2H+NH4"	16.019271
"501423"	1078.166271	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M-2H+NH4"	16.019271
"879352"	370.068271	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-2H+NH4"	16.019271
"46403"	729.072666	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M-2H+Na"	20.974666
"479519"	1083.121666	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M-2H+Na"	20.974666
"860604"	375.023666	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-2H+Na"	20.974666
"1631233"	375.023666	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Na-2H"	20.974666
"106666"	371.030063	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M-H+Cl"	33.962126
"541852"	548.054563	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M-H+Cl"	33.962126
"936460"	194.005563	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-H+Cl"	33.962126
"269552"	743.067402	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+Cl"	34.969402
"662338"	1097.116402	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+Cl"	34.969402
"1283126"	389.018402	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Cl"	34.969402
"21308"	745.046606	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M-2H+K"	36.948606
"461962"	1099.095606	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M-2H+K"	36.948606
"846326"	390.997606	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-2H+K"	36.948606
"1565439"	390.997606	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+K-2H"	36.948606
"944572"	399.047194	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-H+HCOOH"	44.998194
"362788"	753.096201	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+HCOOH-H"	44.998201
"347766"	767.111851	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+Hac-H"	59.013851
"1495502"	413.062851	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Hac-H"	59.013851
"960492"	421.029151	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-H+NaCOOH"	66.980151
"114144"	389.018402	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+2Cl"	69.938804
"562457"	566.042902	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+2Cl"	69.938804
"1027975"	211.993902	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2Cl"	69.938804
"1254118"	432.967885	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Br"	78.918885
"1319243"	435.023872	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Cl+HCOOH"	80.974872
"1334792"	457.005829	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Cl+NaCOOH"	102.956829
"924756"	467.034586	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M-H+CF3COOH"	112.985586
"1302197"	503.011264	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Cl+CF3COOH"	148.962264
"1381454"	319.036324	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H-2H2O"	-35.012676
"1396395"	337.0463	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H-H2O"	-17.0027
"292799"	709.105276	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+H"	1.007276
"681940"	1063.154276	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+H"	1.007276
"1361571"	355.056276	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H"	1.007276
"133367"	355.056276	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+2H"	2.014552
"577301"	532.080776	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+2H"	2.014552
"1042819"	178.031776	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2H"	2.014552
"210720"	237.039942666667	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+3H"	3.021828
"653566"	355.056276	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+3H"	3.021828
"1166586"	119.023609333333	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+3H"	3.021828
"428399"	726.131823	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+NH4"	18.033823
"798147"	1080.180823	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+NH4"	18.033823
"1694847"	372.082823	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+NH4"	18.033823
"344589"	363.5695495	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+H+NH4"	19.041099
"737942"	540.5940495	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+H+NH4"	19.041099
"1491926"	186.5450495	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H+NH4"	19.041099
"406590"	731.087218	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+Na"	22.989218
"766127"	1085.136218	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+Na"	22.989218
"1614957"	377.038218	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Na"	22.989218
"327183"	366.047247	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+H+Na"	23.996494
"721428"	543.071747	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+H+Na"	23.996494
"1474518"	189.022747	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H+Na"	23.996494
"1067035"	126.350923333333	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2H+Na"	25.00377
"1270902"	387.082486	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+CH3OH+H"	33.033486
"392271"	747.061158	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+K"	38.963158
"753874"	1101.110158	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+K"	38.963158
"1550696"	393.012158	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+K"	38.963158
"312249"	374.034217	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+H+K"	39.970434
"705889"	551.058717	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+H+K"	39.970434
"1459708"	197.009717	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H+K"	39.970434
"247822"	750.131826	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+ACN+H"	42.033826
"1218709"	396.082826	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+ACN+H"	42.033826
"1207695"	198.545051	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+ACN+2H"	43.041102
"196556"	753.06916	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+2Na-H"	44.97116
"637210"	1107.11816	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+2Na-H"	44.97116
"1139622"	399.02016	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2Na-H"	44.97116
"179632"	377.038218	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+2Na"	45.978436
"621381"	554.062718	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+2Na"	45.978436
"1128537"	200.013718	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2Na"	45.978436
"1411336"	133.678237333333	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H+2Na"	46.985712
"1440171"	401.061746	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H+HCOOH"	47.012746
"233515"	382.07124	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+3H2O+2H"	56.04448
"1520846"	415.11379	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+IsoProp+H"	61.06479
"423449"	385.025188	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+Na+K"	61.952376
"784449"	562.049688	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+Na+K"	61.952376
"1679685"	208.000688	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Na+K"	61.952376
"265109"	772.113768	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+ACN+Na"	64.015768
"1238551"	418.064768	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+ACN+Na"	64.015768
"1725251"	418.088293	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+NH4+HCOOH"	64.039293
"1194106"	141.005551333333	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+3Na"	68.967654
"1660497"	423.043688	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Na+HCOOH"	68.994688
"171367"	785.01704	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+2K-H"	76.91904
"610562"	1139.06604	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+2K-H"	76.91904
"1098722"	430.96804	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2K-H"	76.91904
"155535"	393.012158	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"2M+2K"	77.926316
"594730"	570.036658	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"3M+2K"	77.926316
"1081428"	215.987658	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2K"	77.926316
"1111355"	432.982592	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2K+H"	78.933592
"1336686"	433.070207	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+DMSO+H"	79.021207
"1006675"	437.109376	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2ACN+H"	83.060376
"1534402"	438.103008	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+IsoProp+Na+H"	84.054008
"994288"	219.058326	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+2ACN+2H"	84.067652
"1600826"	439.017628	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+K+HCOOH"	84.968628
"1419923"	469.049138	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+H+CF3COOH"	115.000138
"1152398"	239.571601	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+3ACN+2H"	125.094202
"1710704"	486.075685	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+NH4+CF3COOH"	132.026685
"1649516"	491.03108	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+Na+CF3COOH"	136.98208
"1583098"	507.00502	"C18423"	"Thiodicarb"	"C10H18N4O4S3"	"354.049"	"M+K+CF3COOH"	152.95602
"803621"	128.9683	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M"	0
"980434"	109.94991	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-H2O-H"	-19.01839
"66489"	84.9715906666667	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M-3H"	-3.021828
"504103"	127.961024	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M-3H"	-3.021828
"883847"	41.9821573333333	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-3H"	-3.021828
"15185"	127.961024	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M-2H"	-2.014552
"454386"	192.445174	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M-2H"	-2.014552
"830724"	63.476874	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-2H"	-2.014552
"86342"	256.929324	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M-H"	-1.007276
"532836"	385.897624	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M-H"	-1.007276
"910894"	127.961024	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-H"	-1.007276
"62821"	273.955871	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M-2H+NH4"	16.019271
"501169"	402.924171	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M-2H+NH4"	16.019271
"878979"	144.987571	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-2H+NH4"	16.019271
"47004"	278.911266	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M-2H+Na"	20.974666
"482911"	407.879566	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M-2H+Na"	20.974666
"861812"	149.942966	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-2H+Na"	20.974666
"1630615"	149.942966	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Na-2H"	20.974666
"108844"	145.949363	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M-H+Cl"	33.962126
"541962"	210.433513	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M-H+Cl"	33.962126
"937664"	81.465213	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-H+Cl"	33.962126
"268566"	292.906002	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+Cl"	34.969402
"664267"	421.874302	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+Cl"	34.969402
"1283236"	163.937702	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Cl"	34.969402
"21418"	294.885206	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M-2H+K"	36.948606
"456604"	423.853506	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M-2H+K"	36.948606
"836593"	165.916906	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-2H+K"	36.948606
"1557165"	165.916906	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+K-2H"	36.948606
"942867"	173.966494	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-H+HCOOH"	44.998194
"361925"	302.934801	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+HCOOH-H"	44.998201
"347147"	316.950451	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+Hac-H"	59.013851
"1495611"	187.982151	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Hac-H"	59.013851
"959506"	195.948451	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-H+NaCOOH"	66.980151
"114254"	163.937702	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+2Cl"	69.938804
"557096"	228.421852	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+2Cl"	69.938804
"1024801"	99.453552	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2Cl"	69.938804
"1256621"	207.887185	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Br"	78.918885
"1318382"	209.943172	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Cl+HCOOH"	80.974872
"1332715"	231.925129	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Cl+NaCOOH"	102.956829
"923044"	241.953886	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M-H+CF3COOH"	112.985586
"1300482"	277.930564	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Cl+CF3COOH"	148.962264
"1381199"	93.955624	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H-2H2O"	-35.012676
"1395049"	111.9656	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H-H2O"	-17.0027
"291815"	258.943876	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+H"	1.007276
"678769"	387.912176	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+H"	1.007276
"1361681"	129.975576	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H"	1.007276
"134570"	129.975576	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+2H"	2.014552
"574131"	194.459726	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+2H"	2.014552
"1042928"	65.491426	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2H"	2.014552
"207549"	86.9861426666667	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+3H"	3.021828
"647840"	129.975576	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+3H"	3.021828
"1166332"	43.9967093333333	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+3H"	3.021828
"425468"	275.970423	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+NH4"	18.033823
"798257"	404.938723	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+NH4"	18.033823
"1696171"	147.002123	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+NH4"	18.033823
"343969"	138.4888495	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+H+NH4"	19.041099
"737117"	202.9729995	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+H+NH4"	19.041099
"1490942"	74.0046995	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H+NH4"	19.041099
"406701"	280.925818	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+Na"	22.989218
"767331"	409.894118	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+Na"	22.989218
"1615432"	151.957518	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Na"	22.989218
"327658"	140.966547	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+H+Na"	23.996494
"720445"	205.450697	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+H+Na"	23.996494
"1473899"	76.482397	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H+Na"	23.996494
"1067878"	51.3240233333333	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2H+Na"	25.00377
"1272108"	162.001786	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+CH3OH+H"	33.033486
"392510"	296.899758	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+K"	38.963158
"752768"	425.868058	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+K"	38.963158
"1550806"	167.931458	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+K"	38.963158
"310172"	148.953517	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+H+K"	39.970434
"705876"	213.437667	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+H+K"	39.970434
"1458239"	84.469367	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H+K"	39.970434
"246475"	299.970426	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+ACN+H"	42.033826
"1220640"	171.002126	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+ACN+H"	42.033826
"1208534"	86.004701	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+ACN+2H"	43.041102
"196666"	302.90776	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+2Na-H"	44.97116
"637320"	431.87606	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+2Na-H"	44.97116
"1140825"	173.93946	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2Na-H"	44.97116
"183022"	151.957518	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+2Na"	45.978436
"621491"	216.441668	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+2Na"	45.978436
"1127919"	87.473368	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2Na"	45.978436
"1411446"	58.6513373333333	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H+2Na"	46.985712
"1441374"	175.981046	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H+HCOOH"	47.012746
"234598"	156.99054	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+3H2O+2H"	56.04448
"1522049"	190.03309	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+IsoProp+H"	61.06479
"422831"	159.944488	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+Na+K"	61.952376
"785249"	224.428638	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+Na+K"	61.952376
"1680646"	95.460338	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Na+K"	61.952376
"265219"	321.952368	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+ACN+Na"	64.015768
"1238297"	192.984068	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+ACN+Na"	64.015768
"1727183"	193.007593	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+NH4+HCOOH"	64.039293
"1193959"	65.9786513333333	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+3Na"	68.967654
"1662428"	197.962988	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Na+HCOOH"	68.994688
"171721"	334.85564	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+2K-H"	76.91904
"612133"	463.82394	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+2K-H"	76.91904
"1098102"	205.88734	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2K-H"	76.91904
"155648"	167.931458	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"2M+2K"	77.926316
"594840"	232.415608	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"3M+2K"	77.926316
"1081903"	103.447308	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2K"	77.926316
"1111829"	207.901892	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2K+H"	78.933592
"1337282"	207.989507	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+DMSO+H"	79.021207
"1006786"	212.028676	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2ACN+H"	83.060376
"1534512"	213.022308	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+IsoProp+Na+H"	84.054008
"994398"	106.517976	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+2ACN+2H"	84.067652
"1598749"	213.936928	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+K+HCOOH"	84.968628
"1418940"	243.968438	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+H+CF3COOH"	115.000138
"1152506"	127.031251	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+3ACN+2H"	125.094202
"1712560"	260.994985	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+NH4+CF3COOH"	132.026685
"1649626"	265.95038	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+Na+CF3COOH"	136.98208
"1583208"	281.92432	"C18424"	"Metam-sodium;Carbam"	"C2H4NS2Na"	"128.9683"	"M+K+CF3COOH"	152.95602
"803731"	302.1186	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M"	0
"983824"	283.10021	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-H2O-H"	-19.01839
"69879"	200.405124	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M-3H"	-3.021828
"505790"	301.111324	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M-3H"	-3.021828
"883231"	99.698924	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-3H"	-3.021828
"15295"	301.111324	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M-2H"	-2.014552
"455603"	452.170624	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M-2H"	-2.014552
"827554"	150.052024	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-2H"	-2.014552
"83172"	603.229924	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M-H"	-1.007276
"534005"	905.348524	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M-H"	-1.007276
"910885"	301.111324	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-H"	-1.007276
"62466"	620.256471	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M-2H+NH4"	16.019271
"502299"	922.375071	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M-2H+NH4"	16.019271
"879498"	318.137871	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-2H+NH4"	16.019271
"46588"	625.211866	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M-2H+Na"	20.974666
"486634"	927.330466	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M-2H+Na"	20.974666
"863787"	323.093266	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-2H+Na"	20.974666
"1630362"	323.093266	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Na-2H"	20.974666
"105797"	319.099663	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M-H+Cl"	33.962126
"548760"	470.158963	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M-H+Cl"	33.962126
"938869"	168.040363	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-H+Cl"	33.962126
"277424"	639.206602	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+Cl"	34.969402
"664378"	941.325202	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+Cl"	34.969402
"1284439"	337.088002	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Cl"	34.969402
"21528"	641.185806	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M-2H+K"	36.948606
"456835"	943.304406	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M-2H+K"	36.948606
"834516"	339.067206	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-2H+K"	36.948606
"1558004"	339.067206	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+K-2H"	36.948606
"948074"	347.116794	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-H+HCOOH"	44.998194
"364100"	649.235401	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+HCOOH-H"	44.998201
"349078"	663.251051	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+Hac-H"	59.013851
"1494383"	361.132451	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Hac-H"	59.013851
"958890"	369.098751	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-H+NaCOOH"	66.980151
"114364"	337.088002	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+2Cl"	69.938804
"562674"	488.147302	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+2Cl"	69.938804
"1032566"	186.028702	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2Cl"	69.938804
"1255435"	381.037485	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Br"	78.918885
"1317522"	383.093472	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Cl+HCOOH"	80.974872
"1332096"	405.075429	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Cl+NaCOOH"	102.956829
"922060"	415.104186	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M-H+CF3COOH"	112.985586
"1298768"	451.080864	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Cl+CF3COOH"	148.962264
"1381673"	267.105924	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H-2H2O"	-35.012676
"1396866"	285.1159	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H-H2O"	-17.0027
"293021"	605.244476	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+H"	1.007276
"685442"	907.363076	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+H"	1.007276
"1362885"	303.125876	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H"	1.007276
"133587"	303.125876	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+2H"	2.014552
"574241"	454.185176	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+2H"	2.014552
"1044133"	152.066576	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2H"	2.014552
"210939"	202.419676	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+3H"	3.021828
"649411"	303.125876	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+3H"	3.021828
"1169724"	101.713476	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+3H"	3.021828
"427525"	622.271023	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+NH4"	18.033823
"800556"	924.389623	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+NH4"	18.033823
"1696490"	320.152423	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+NH4"	18.033823
"345378"	311.6391495	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+H+NH4"	19.041099
"737961"	462.6984495	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+H+NH4"	19.041099
"1491051"	160.5798495	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H+NH4"	19.041099
"407908"	627.226418	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+Na"	22.989218
"769269"	929.345018	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+Na"	22.989218
"1617972"	325.107818	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Na"	22.989218
"328620"	314.116847	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+H+Na"	23.996494
"722011"	465.176147	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+H+Na"	23.996494
"1476194"	163.057547	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H+Na"	23.996494
"1068455"	109.04079	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2H+Na"	25.00377
"1272626"	335.152086	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+CH3OH+H"	33.033486
"392742"	643.200358	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+K"	38.963158
"751780"	945.318958	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+K"	38.963158
"1555171"	341.081758	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+K"	38.963158
"314176"	322.103817	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+H+K"	39.970434
"703795"	473.163117	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+H+K"	39.970434
"1456521"	171.044517	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H+K"	39.970434
"249862"	646.271026	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+ACN+H"	42.033826
"1220021"	344.152426	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+ACN+H"	42.033826
"1201716"	172.579851	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+ACN+2H"	43.041102
"195682"	649.20836	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+2Na-H"	44.97116
"639615"	951.32696	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+2Na-H"	44.97116
"1143121"	347.08976	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2Na-H"	44.97116
"179851"	325.107818	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+2Na"	45.978436
"624881"	476.167118	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+2Na"	45.978436
"1129121"	174.048518	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2Na"	45.978436
"1411556"	116.368104	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H+2Na"	46.985712
"1441848"	349.131346	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H+HCOOH"	47.012746
"234469"	330.14084	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+3H2O+2H"	56.04448
"1521795"	363.18339	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+IsoProp+H"	61.06479
"422942"	333.094788	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+Na+K"	61.952376
"785484"	484.154088	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+Na+K"	61.952376
"1679908"	182.035488	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Na+K"	61.952376
"266302"	668.252968	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+ACN+Na"	64.015768
"1240233"	366.134368	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+ACN+Na"	64.015768
"1728158"	366.157893	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+NH4+HCOOH"	64.039293
"1193628"	123.695418	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+3Na"	68.967654
"1664607"	371.113288	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Na+HCOOH"	68.994688
"172197"	681.15624	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+2K-H"	76.91904
"612487"	983.27484	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+2K-H"	76.91904
"1099066"	379.03764	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2K-H"	76.91904
"156368"	341.081758	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"2M+2K"	77.926316
"596168"	492.141058	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"3M+2K"	77.926316
"1083476"	190.022458	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2K"	77.926316
"1113035"	381.052192	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2K+H"	78.933592
"1341404"	381.139807	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+DMSO+H"	79.021207
"1006528"	385.178976	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2ACN+H"	83.060376
"1524655"	386.172608	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+IsoProp+Na+H"	84.054008
"990373"	193.093126	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+2ACN+2H"	84.067652
"1597765"	387.087228	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+K+HCOOH"	84.968628
"1421237"	417.118738	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+H+CF3COOH"	115.000138
"1150430"	213.606401	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+3ACN+2H"	125.094202
"1712426"	434.145285	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+NH4+CF3COOH"	132.026685
"1649493"	439.10068	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+Na+CF3COOH"	136.98208
"1583318"	455.07462	"C18425"	"Cumyluron"	"C17H19ClN2O"	"302.1186"	"M+K+CF3COOH"	152.95602
"803841"	538.963	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M"	0
"980654"	519.94461	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-H2O-H"	-19.01839
"69989"	358.301390666667	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M-3H"	-3.021828
"502943"	537.955724	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M-3H"	-3.021828
"882977"	178.647057333333	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-3H"	-3.021828
"9208"	537.955724	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M-2H"	-2.014552
"449862"	807.437224	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M-2H"	-2.014552
"827664"	268.474224	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-2H"	-2.014552
"83282"	1076.918724	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M-H"	-1.007276
"534228"	1615.881724	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M-H"	-1.007276
"911158"	537.955724	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-H"	-1.007276
"62801"	1093.945271	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M-2H+NH4"	16.019271
"502123"	1632.908271	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M-2H+NH4"	16.019271
"879319"	554.982271	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-2H+NH4"	16.019271
"46901"	1098.900666	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M-2H+Na"	20.974666
"487082"	1637.863666	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M-2H+Na"	20.974666
"863124"	559.937666	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-2H+Na"	20.974666
"1632658"	559.937666	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Na-2H"	20.974666
"108092"	555.944063	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M-H+Cl"	33.962126
"542185"	825.425563	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M-H+Cl"	33.962126
"935699"	286.462563	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-H+Cl"	33.962126
"274254"	1112.895402	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+Cl"	34.969402
"664488"	1651.858402	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+Cl"	34.969402
"1283456"	573.932402	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Cl"	34.969402
"21638"	1114.874606	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M-2H+K"	36.948606
"457917"	1653.837606	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M-2H+K"	36.948606
"833654"	575.911606	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-2H+K"	36.948606
"1557385"	575.911606	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+K-2H"	36.948606
"948184"	583.961194	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-H+HCOOH"	44.998194
"364210"	1122.924201	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+HCOOH-H"	44.998201
"349188"	1136.939851	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+Hac-H"	59.013851
"1493399"	597.976851	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Hac-H"	59.013851
"959365"	605.943151	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-H+NaCOOH"	66.980151
"110826"	573.932402	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+2Cl"	69.938804
"563877"	843.413902	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+2Cl"	69.938804
"1033769"	304.450902	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2Cl"	69.938804
"1250067"	617.881885	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Br"	78.918885
"1305590"	619.937872	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Cl+HCOOH"	80.974872
"1323453"	641.919829	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Cl+NaCOOH"	102.956829
"921077"	651.948586	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M-H+CF3COOH"	112.985586
"1295598"	687.925264	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Cl+CF3COOH"	148.962264
"1381421"	503.950324	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H-2H2O"	-35.012676
"1396733"	521.9603	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H-H2O"	-17.0027
"294224"	1078.933276	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+H"	1.007276
"684459"	1617.896276	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+H"	1.007276
"1363360"	539.970276	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H"	1.007276
"134790"	539.970276	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+2H"	2.014552
"574350"	809.451776	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+2H"	2.014552
"1045336"	270.488776	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2H"	2.014552
"211049"	360.315942666667	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+3H"	3.021828
"648426"	539.970276	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+3H"	3.021828
"1168741"	180.661609333333	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+3H"	3.021828
"427999"	1095.959823	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+NH4"	18.033823
"795197"	1634.922823	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+NH4"	18.033823
"1696837"	556.996823	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+NH4"	18.033823
"345518"	548.4835495	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+H+NH4"	19.041099
"738069"	817.9650495	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+H+NH4"	19.041099
"1491160"	279.0020495	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H+NH4"	19.041099
"408017"	1100.915218	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+Na"	22.989218
"769010"	1639.878218	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+Na"	22.989218
"1617840"	561.952218	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Na"	22.989218
"328973"	550.961247	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+H+Na"	23.996494
"721029"	820.442747	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+H+Na"	23.996494
"1477019"	281.479747	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H+Na"	23.996494
"1068345"	187.988923333333	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2H+Na"	25.00377
"1272575"	571.996486	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+CH3OH+H"	33.033486
"392685"	1116.889158	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+K"	38.963158
"752253"	1655.852158	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+K"	38.963158
"1554794"	577.926158	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+K"	38.963158
"314124"	558.948217	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+H+K"	39.970434
"704998"	828.429717	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+H+K"	39.970434
"1456631"	289.466717	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H+K"	39.970434
"248514"	1119.959826	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+ACN+H"	42.033826
"1220131"	580.996826	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+ACN+H"	42.033826
"1199639"	291.002051	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+ACN+2H"	43.041102
"193605"	1122.89716	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+2Na-H"	44.97116
"639725"	1661.86016	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+2Na-H"	44.97116
"1144324"	583.93416	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2Na-H"	44.97116
"183241"	561.952218	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+2Na"	45.978436
"615878"	831.433718	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+2Na"	45.978436
"1129595"	292.470718	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2Na"	45.978436
"1412757"	195.316237333333	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H+2Na"	46.985712
"1438675"	585.975746	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H+HCOOH"	47.012746
"234941"	566.98524	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+3H2O+2H"	56.04448
"1522270"	600.02779	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+IsoProp+H"	61.06479
"421954"	569.939188	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+Na+K"	61.952376
"784170"	839.420688	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+Na+K"	61.952376
"1678562"	300.457688	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Na+K"	61.952376
"265070"	1141.941768	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+ACN+Na"	64.015768
"1238886"	602.978768	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+ACN+Na"	64.015768
"1725584"	603.002293	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+NH4+HCOOH"	64.039293
"1193698"	202.643551333333	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+3Na"	68.967654
"1664110"	607.957688	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Na+HCOOH"	68.994688
"171698"	1154.84504	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+2K-H"	76.91904
"611260"	1693.80804	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+2K-H"	76.91904
"1099297"	615.88204	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2K-H"	76.91904
"155991"	577.926158	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"2M+2K"	77.926316
"593965"	847.407658	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"3M+2K"	77.926316
"1082120"	308.444658	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2K"	77.926316
"1113141"	617.896592	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2K+H"	78.933592
"1340421"	617.984207	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+DMSO+H"	79.021207
"1005788"	622.023376	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2ACN+H"	83.060376
"1524520"	623.017008	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+IsoProp+Na+H"	84.054008
"990361"	311.515326	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+2ACN+2H"	84.067652
"1596782"	623.931628	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+K+HCOOH"	84.968628
"1419160"	653.963138	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+H+CF3COOH"	115.000138
"1150540"	332.028601	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+3ACN+2H"	125.094202
"1712129"	670.989685	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+NH4+CF3COOH"	132.026685
"1649239"	675.94508	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+Na+CF3COOH"	136.98208
"1583428"	691.91902	"C18426"	"Chlorfluazuron"	"C20H9Cl3F5N3O3"	"538.963"	"M+K+CF3COOH"	152.95602
"803951"	268.1576	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M"	0
"980764"	249.13921	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-H2O-H"	-19.01839
"70099"	177.764457333333	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M-3H"	-3.021828
"502999"	267.150324	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M-3H"	-3.021828
"880900"	88.3785906666667	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-3H"	-3.021828
"7131"	267.150324	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M-2H"	-2.014552
"451065"	401.229124	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M-2H"	-2.014552
"828867"	133.071524	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-2H"	-2.014552
"85578"	535.307924	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M-H"	-1.007276
"532925"	803.465524	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M-H"	-1.007276
"911095"	267.150324	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-H"	-1.007276
"62797"	552.334471	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M-2H+NH4"	16.019271
"501989"	820.492071	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M-2H+NH4"	16.019271
"879892"	284.176871	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-2H+NH4"	16.019271
"46769"	557.289866	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M-2H+Na"	20.974666
"486040"	825.447466	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M-2H+Na"	20.974666
"862505"	289.132266	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-2H+Na"	20.974666
"1633862"	289.132266	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Na-2H"	20.974666
"108203"	285.138663	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M-H+Cl"	33.962126
"542295"	419.217463	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M-H+Cl"	33.962126
"939089"	151.059863	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-H+Cl"	33.962126
"277644"	571.284602	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+Cl"	34.969402
"664598"	839.442202	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+Cl"	34.969402
"1281379"	303.127002	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Cl"	34.969402
"18468"	573.263806	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M-2H+K"	36.948606
"458027"	841.421406	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M-2H+K"	36.948606
"834007"	305.106206	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-2H+K"	36.948606
"1558224"	305.106206	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+K-2H"	36.948606
"948294"	313.155794	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-H+HCOOH"	44.998194
"364321"	581.313401	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+HCOOH-H"	44.998201
"350392"	595.329051	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+Hac-H"	59.013851
"1494239"	327.171451	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Hac-H"	59.013851
"959840"	335.137751	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-H+NaCOOH"	66.980151
"112758"	303.127002	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+2Cl"	69.938804
"564598"	437.205802	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+2Cl"	69.938804
"1033879"	169.048202	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2Cl"	69.938804
"1251271"	347.076485	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Br"	78.918885
"1310437"	349.132472	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Cl+HCOOH"	80.974872
"1323563"	371.114429	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Cl+NaCOOH"	102.956829
"924467"	381.143186	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M-H+CF3COOH"	112.985586
"1298988"	417.119864	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Cl+CF3COOH"	148.962264
"1382018"	233.144924	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H-2H2O"	-35.012676
"1396480"	251.1549	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H-H2O"	-17.0027
"295427"	537.322476	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+H"	1.007276
"686755"	805.480076	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+H"	1.007276
"1363470"	269.164876	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H"	1.007276
"130525"	269.164876	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+2H"	2.014552
"574460"	403.243676	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+2H"	2.014552
"1045446"	135.086076	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2H"	2.014552
"211159"	179.779009333333	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+3H"	3.021828
"649629"	269.164876	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+3H"	3.021828
"1171767"	90.3931426666667	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+3H"	3.021828
"427381"	554.349023	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+NH4"	18.033823
"797859"	822.506623	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+NH4"	18.033823
"1696015"	286.191423	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+NH4"	18.033823
"341009"	277.6781495	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+H+NH4"	19.041099
"737694"	411.7569495	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+H+NH4"	19.041099
"1490541"	143.5993495	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H+NH4"	19.041099
"407396"	559.304418	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+Na"	22.989218
"769243"	827.462018	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+Na"	22.989218
"1617951"	291.146818	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Na"	22.989218
"329323"	280.155847	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+H+Na"	23.996494
"722229"	414.234647	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+H+Na"	23.996494
"1475682"	146.077047	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H+Na"	23.996494
"1068208"	97.7204566666667	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2H+Na"	25.00377
"1272740"	301.191086	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+CH3OH+H"	33.033486
"392463"	575.278358	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+K"	38.963158
"751999"	843.435958	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+K"	38.963158
"1552230"	307.120758	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+K"	38.963158
"306125"	288.142817	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+H+K"	39.970434
"701828"	422.221617	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+H+K"	39.970434
"1453461"	154.064017	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H+K"	39.970434
"246436"	578.349026	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+ACN+H"	42.033826
"1221334"	310.191426	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+ACN+H"	42.033826
"1201936"	155.599351	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+ACN+2H"	43.041102
"194809"	581.28636	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+2Na-H"	44.97116
"639835"	849.44396	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+2Na-H"	44.97116
"1143948"	313.12876	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2Na-H"	44.97116
"178248"	291.146818	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+2Na"	45.978436
"617081"	425.225618	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+2Na"	45.978436
"1127884"	157.068018	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2Na"	45.978436
"1411774"	105.047770666667	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H+2Na"	46.985712
"1440608"	315.170346	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H+HCOOH"	47.012746
"234686"	296.17984	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+3H2O+2H"	56.04448
"1521649"	329.22239	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+IsoProp+H"	61.06479
"420242"	299.133788	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+Na+K"	61.952376
"783305"	433.212588	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+Na+K"	61.952376
"1679398"	165.054988	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Na+K"	61.952376
"262994"	600.330968	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+ACN+Na"	64.015768
"1240088"	332.173368	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+ACN+Na"	64.015768
"1727517"	332.196893	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+NH4+HCOOH"	64.039293
"1193890"	112.375084666667	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+3Na"	68.967654
"1664950"	337.152288	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Na+HCOOH"	68.994688
"172174"	613.23424	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+2K-H"	76.91904
"612715"	881.39184	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+2K-H"	76.91904
"1099735"	345.07664	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2K-H"	76.91904
"156466"	307.120758	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"2M+2K"	77.926316
"593346"	441.199558	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"3M+2K"	77.926316
"1081137"	173.041958	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2K"	77.926316
"1112522"	347.091192	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2K+H"	78.933592
"1341624"	347.178807	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+DMSO+H"	79.021207
"1006385"	351.217976	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2ACN+H"	83.060376
"1524388"	352.211608	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+IsoProp+Na+H"	84.054008
"991079"	176.112626	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+2ACN+2H"	84.067652
"1596892"	353.126228	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+K+HCOOH"	84.968628
"1420363"	383.157738	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+H+CF3COOH"	115.000138
"1150650"	196.625901	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+3ACN+2H"	125.094202
"1712241"	400.184285	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+NH4+CF3COOH"	132.026685
"1648981"	405.13968	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+Na+CF3COOH"	136.98208
"1583538"	421.11362	"C18427"	"Daimuron"	"C17H20N2O"	"268.1576"	"M+K+CF3COOH"	152.95602
"804061"	232.017	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M"	0
"977594"	212.99861	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-H2O-H"	-19.01839
"70209"	153.670724	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M-3H"	-3.021828
"510863"	231.009724	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M-3H"	-3.021828
"884291"	76.331724	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-3H"	-3.021828
"5053"	231.009724	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M-2H"	-2.014552
"450082"	347.018224	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M-2H"	-2.014552
"826790"	115.001224	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-2H"	-2.014552
"90063"	463.026724	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M-H"	-1.007276
"532913"	695.043724	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M-H"	-1.007276
"910479"	231.009724	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-H"	-1.007276
"62427"	480.053271	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M-2H+NH4"	16.019271
"502351"	712.070271	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M-2H+NH4"	16.019271
"879303"	248.036271	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-2H+NH4"	16.019271
"46109"	485.008666	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M-2H+Na"	20.974666
"486393"	717.025666	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M-2H+Na"	20.974666
"862494"	252.991666	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-2H+Na"	20.974666
"1631786"	252.991666	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Na-2H"	20.974666
"108192"	248.998063	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M-H+Cl"	33.962126
"545686"	365.006563	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M-H+Cl"	33.962126
"934828"	132.989563	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-H+Cl"	33.962126
"276662"	499.003402	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+Cl"	34.969402
"664709"	731.020402	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+Cl"	34.969402
"1284765"	266.986402	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Cl"	34.969402
"18578"	500.982606	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M-2H+K"	36.948606
"457044"	732.999606	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M-2H+K"	36.948606
"840314"	268.965606	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-2H+K"	36.948606
"1556511"	268.965606	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+K-2H"	36.948606
"943298"	277.015194	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-H+HCOOH"	44.998194
"364432"	509.032201	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+HCOOH-H"	44.998201
"346370"	523.047851	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+Hac-H"	59.013851
"1494595"	291.030851	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Hac-H"	59.013851
"959586"	298.997151	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-H+NaCOOH"	66.980151
"113597"	266.986402	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+2Cl"	69.938804
"563976"	382.994902	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+2Cl"	69.938804
"1035082"	150.977902	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2Cl"	69.938804
"1251381"	310.935885	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Br"	78.918885
"1309454"	312.991872	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Cl+HCOOH"	80.974872
"1323673"	334.973829	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Cl+NaCOOH"	102.956829
"921297"	345.002586	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M-H+CF3COOH"	112.985586
"1298004"	380.979264	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Cl+CF3COOH"	148.962264
"1381889"	197.004324	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H-2H2O"	-35.012676
"1396591"	215.0143	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H-H2O"	-17.0027
"296268"	465.041276	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+H"	1.007276
"689055"	697.058276	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+H"	1.007276
"1364308"	233.024276	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H"	1.007276
"130635"	233.024276	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+2H"	2.014552
"573477"	349.032776	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+2H"	2.014552
"1043369"	117.015776	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2H"	2.014552
"211269"	155.685276	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+3H"	3.021828
"649739"	233.024276	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+3H"	3.021828
"1174427"	78.346276	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+3H"	3.021828
"435511"	482.067823	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+NH4"	18.033823
"797969"	714.084823	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+NH4"	18.033823
"1695275"	250.050823	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+NH4"	18.033823
"344533"	241.5375495	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+H+NH4"	19.041099
"737315"	357.5460495	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+H+NH4"	19.041099
"1491382"	125.5290495	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H+NH4"	19.041099
"407021"	487.023218	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+Na"	22.989218
"766679"	719.040218	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+Na"	22.989218
"1614413"	255.006218	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Na"	22.989218
"324450"	244.015247	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+H+Na"	23.996494
"720762"	360.023747	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+H+Na"	23.996494
"1474585"	128.006747	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H+Na"	23.996494
"1067103"	85.67359	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2H+Na"	25.00377
"1271571"	265.050486	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+CH3OH+H"	33.033486
"386008"	502.997158	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+K"	38.963158
"749920"	735.014158	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+K"	38.963158
"1549785"	270.980158	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+K"	38.963158
"302955"	252.002217	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+H+K"	39.970434
"703761"	368.010717	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+H+K"	39.970434
"1452477"	135.993717	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H+K"	39.970434
"244360"	506.067826	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+ACN+H"	42.033826
"1219255"	274.050826	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+ACN+H"	42.033826
"1202045"	137.529051	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+ACN+2H"	43.041102
"196012"	509.00516	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+2Na-H"	44.97116
"633384"	741.02216	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+2Na-H"	44.97116
"1143450"	276.98816	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2Na-H"	44.97116
"177265"	255.006218	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+2Na"	45.978436
"616462"	371.014718	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+2Na"	45.978436
"1127627"	138.997718	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2Na"	45.978436
"1410061"	93.000904	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H+2Na"	46.985712
"1439989"	279.029746	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H+HCOOH"	47.012746
"233705"	260.03924	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+3H2O+2H"	56.04448
"1522125"	293.08179	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+IsoProp+H"	61.06479
"421811"	262.993188	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+Na+K"	61.952376
"783537"	379.001688	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+Na+K"	61.952376
"1678413"	146.984688	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Na+K"	61.952376
"263834"	528.049768	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+ACN+Na"	64.015768
"1239105"	296.032768	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+ACN+Na"	64.015768
"1726169"	296.056293	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+NH4+HCOOH"	64.039293
"1193345"	100.328218	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+3Na"	68.967654
"1664935"	301.011688	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Na+HCOOH"	68.994688
"172284"	540.95304	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+2K-H"	76.91904
"611479"	772.97004	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+2K-H"	76.91904
"1099397"	308.93604	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2K-H"	76.91904
"156453"	270.980158	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"2M+2K"	77.926316
"590904"	386.988658	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"3M+2K"	77.926316
"1081611"	154.971658	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2K"	77.926316
"1108622"	310.950592	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2K+H"	78.933592
"1340641"	311.038207	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+DMSO+H"	79.021207
"1006010"	315.077376	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2ACN+H"	83.060376
"1524738"	316.071008	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+IsoProp+Na+H"	84.054008
"990827"	158.042326	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+2ACN+2H"	84.067652
"1597001"	316.985628	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+K+HCOOH"	84.968628
"1423753"	347.017138	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+H+CF3COOH"	115.000138
"1157321"	178.555601	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+3ACN+2H"	125.094202
"1698128"	364.043685	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+NH4+CF3COOH"	132.026685
"1648727"	368.99908	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+Na+CF3COOH"	136.98208
"1583648"	384.97302	"C18428"	"Diuron"	"C9H10Cl2N2O"	"232.017"	"M+K+CF3COOH"	152.95602
"804171"	487.1173	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M"	0
"978797"	468.09891	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-H2O-H"	-19.01839
"70319"	323.737590666667	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M-3H"	-3.021828
"512066"	486.110024	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M-3H"	-3.021828
"884401"	161.365157333333	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-3H"	-3.021828
"6256"	486.110024	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M-2H"	-2.014552
"450192"	729.668674	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M-2H"	-2.014552
"824714"	242.551374	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-2H"	-2.014552
"90173"	973.227324	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M-H"	-1.007276
"533508"	1460.344624	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M-H"	-1.007276
"910102"	486.110024	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-H"	-1.007276
"60711"	990.253871	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M-2H+NH4"	16.019271
"501968"	1477.371171	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M-2H+NH4"	16.019271
"877589"	503.136571	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-2H+NH4"	16.019271
"43544"	995.209266	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M-2H+Na"	20.974666
"484559"	1482.326566	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M-2H+Na"	20.974666
"859078"	508.091966	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-2H+Na"	20.974666
"1623147"	508.091966	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Na-2H"	20.974666
"102956"	504.098363	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M-H+Cl"	33.962126
"540328"	747.657013	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M-H+Cl"	33.962126
"933844"	260.539713	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-H+Cl"	33.962126
"275679"	1009.204002	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+Cl"	34.969402
"664818"	1496.321302	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+Cl"	34.969402
"1276127"	522.086702	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Cl"	34.969402
"18688"	1011.183206	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M-2H+K"	36.948606
"456908"	1498.300506	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M-2H+K"	36.948606
"833536"	524.065906	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-2H+K"	36.948606
"1556621"	524.065906	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+K-2H"	36.948606
"942917"	532.115494	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-H+HCOOH"	44.998194
"362351"	1019.232801	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+HCOOH-H"	44.998201
"347331"	1033.248451	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+Hac-H"	59.013851
"1493354"	546.131151	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Hac-H"	59.013851
"958646"	554.097451	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-H+NaCOOH"	66.980151
"110157"	522.086702	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+2Cl"	69.938804
"564573"	765.645352	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+2Cl"	69.938804
"1034099"	278.528052	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2Cl"	69.938804
"1252585"	566.036185	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Br"	78.918885
"1309564"	568.092172	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Cl+HCOOH"	80.974872
"1321597"	590.074129	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Cl+NaCOOH"	102.956829
"912042"	600.102886	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M-H+CF3COOH"	112.985586
"1290453"	636.079564	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Cl+CF3COOH"	148.962264
"1367118"	452.104624	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H-2H2O"	-35.012676
"1398157"	470.1146	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H-H2O"	-17.0027
"294554"	975.241876	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+H"	1.007276
"688068"	1462.359176	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+H"	1.007276
"1364417"	488.124576	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H"	1.007276
"127829"	488.124576	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+2H"	2.014552
"574680"	731.683226	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+2H"	2.014552
"1044572"	244.565926	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2H"	2.014552
"212472"	325.752142666667	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+3H"	3.021828
"649849"	488.124576	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+3H"	3.021828
"1170162"	163.379709333333	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+3H"	3.021828
"435621"	992.268423	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+NH4"	18.033823
"799172"	1479.385723	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+NH4"	18.033823
"1695141"	505.151123	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+NH4"	18.033823
"344766"	496.6378495	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+H+NH4"	19.041099
"737668"	740.1964995	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+H+NH4"	19.041099
"1492468"	253.0791995	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H+NH4"	19.041099
"407252"	997.223818	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+Na"	22.989218
"767153"	1484.341118	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+Na"	22.989218
"1615251"	510.106518	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Na"	22.989218
"324924"	499.115547	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+H+Na"	23.996494
"720993"	742.674197	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+H+Na"	23.996494
"1475060"	255.556897	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H+Na"	23.996494
"1067093"	170.707023333333	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2H+Na"	25.00377
"1271805"	520.150786	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+CH3OH+H"	33.033486
"385754"	1013.197758	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+K"	38.963158
"752218"	1500.315058	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+K"	38.963158
"1553906"	526.080458	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+K"	38.963158
"304158"	507.102517	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+H+K"	39.970434
"705328"	750.661167	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+H+K"	39.970434
"1453680"	263.543867	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H+K"	39.970434
"245563"	1016.268426	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+ACN+H"	42.033826
"1219365"	529.151126	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+ACN+H"	42.033826
"1202155"	265.079201	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+ACN+2H"	43.041102
"197215"	1019.20576	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+2Na-H"	44.97116
"633495"	1506.32306	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+2Na-H"	44.97116
"1145626"	532.08846	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2Na-H"	44.97116
"178104"	510.106518	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+2Na"	45.978436
"616572"	753.665168	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+2Na"	45.978436
"1125546"	266.547868	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2Na"	45.978436
"1405790"	178.034337333333	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H+2Na"	46.985712
"1437912"	534.130046	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H+HCOOH"	47.012746
"233081"	515.13954	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+3H2O+2H"	56.04448
"1520044"	548.18209	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+IsoProp+H"	61.06479
"421190"	518.093488	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+Na+K"	61.952376
"779633"	761.652138	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+Na+K"	61.952376
"1679612"	274.534838	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Na+K"	61.952376
"265404"	1038.250368	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+ACN+Na"	64.015768
"1239209"	551.133068	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+ACN+Na"	64.015768
"1726638"	551.156593	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+NH4+HCOOH"	64.039293
"1192845"	185.361651333333	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+3Na"	68.967654
"1664680"	556.111988	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Na+HCOOH"	68.994688
"172271"	1051.15364	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+2K-H"	76.91904
"611954"	1538.27094	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+2K-H"	76.91904
"1098652"	564.03634	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2K-H"	76.91904
"156072"	526.080458	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"2M+2K"	77.926316
"593201"	769.639108	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"3M+2K"	77.926316
"1082087"	282.521808	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2K"	77.926316
"1102173"	566.050892	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2K+H"	78.933592
"1340751"	566.138507	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+DMSO+H"	79.021207
"1006604"	570.177676	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2ACN+H"	83.060376
"1524852"	571.171308	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+IsoProp+Na+H"	84.054008
"990814"	285.592476	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+2ACN+2H"	84.067652
"1598204"	572.085928	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+K+HCOOH"	84.968628
"1427143"	602.117438	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+H+CF3COOH"	115.000138
"1154151"	306.105751	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+3ACN+2H"	125.094202
"1698359"	619.143985	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+NH4+CF3COOH"	132.026685
"1649201"	624.09938	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+Na+CF3COOH"	136.98208
"1583758"	640.07332	"C18429"	"Flucetosulfuron"	"C18H22FN5O8S"	"487.1173"	"M+K+CF3COOH"	152.95602
"810842"	488.0362	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M"	0
"978907"	469.01781	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-H2O-H"	-19.01839
"70429"	324.350190666667	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M-3H"	-3.021828
"512176"	487.028924	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M-3H"	-3.021828
"884511"	161.671457333333	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-3H"	-3.021828
"5273"	487.028924	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M-2H"	-2.014552
"450302"	731.047024	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M-2H"	-2.014552
"824824"	243.010824	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-2H"	-2.014552
"90283"	975.065124	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M-H"	-1.007276
"533738"	1463.101324	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M-H"	-1.007276
"910335"	487.028924	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-H"	-1.007276
"60823"	992.091671	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M-2H+NH4"	16.019271
"502567"	1480.127871	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M-2H+NH4"	16.019271
"879398"	504.055471	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-2H+NH4"	16.019271
"44018"	997.047066	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M-2H+Na"	20.974666
"485395"	1485.083266	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M-2H+Na"	20.974666
"859189"	509.010866	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-2H+Na"	20.974666
"1626539"	509.010866	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Na-2H"	20.974666
"104159"	505.017263	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M-H+Cl"	33.962126
"542626"	749.035363	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M-H+Cl"	33.962126
"935047"	260.999163	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-H+Cl"	33.962126
"273602"	1011.041802	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+Cl"	34.969402
"664928"	1499.078002	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+Cl"	34.969402
"1275508"	523.005602	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Cl"	34.969402
"17094"	1013.021006	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M-2H+K"	36.948606
"456776"	1501.057206	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M-2H+K"	36.948606
"833970"	524.984806	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-2H+K"	36.948606
"1557825"	524.984806	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+K-2H"	36.948606
"943191"	533.034394	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-H+HCOOH"	44.998194
"362129"	1021.070601	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+HCOOH-H"	44.998201
"346345"	1035.086251	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+Hac-H"	59.013851
"1492979"	547.050051	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Hac-H"	59.013851
"959190"	555.016351	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-H+NaCOOH"	66.980151
"111018"	523.005602	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+2Cl"	69.938804
"565661"	767.023702	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+2Cl"	69.938804
"1034938"	278.987502	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2Cl"	69.938804
"1255853"	566.955085	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Br"	78.918885
"1309674"	569.011072	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Cl+HCOOH"	80.974872
"1323892"	590.993029	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Cl+NaCOOH"	102.956829
"916043"	601.021786	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M-H+CF3COOH"	112.985586
"1289956"	636.998464	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Cl+CF3COOH"	148.962264
"1367744"	453.023524	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H-2H2O"	-35.012676
"1388414"	471.0335	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H-H2O"	-17.0027
"296851"	977.079676	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+H"	1.007276
"687086"	1465.115876	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+H"	1.007276
"1364163"	489.043476	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H"	1.007276
"130855"	489.043476	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+2H"	2.014552
"573696"	733.061576	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+2H"	2.014552
"1046869"	245.025376	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2H"	2.014552
"212582"	326.364742666667	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+3H"	3.021828
"649959"	489.043476	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+3H"	3.021828
"1169179"	163.686009333333	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+3H"	3.021828
"435731"	994.106223	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+NH4"	18.033823
"797824"	1482.142423	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+NH4"	18.033823
"1694522"	506.070023	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+NH4"	18.033823
"344626"	497.5567495	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+H+NH4"	19.041099
"737049"	741.5748495	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+H+NH4"	19.041099
"1492536"	253.5386495	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H+NH4"	19.041099
"406633"	999.061618	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+Na"	22.989218
"767627"	1487.097818	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+Na"	22.989218
"1613173"	511.025418	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Na"	22.989218
"327951"	500.034447	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+H+Na"	23.996494
"721099"	744.052547	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+H+Na"	23.996494
"1476380"	256.016347	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H+Na"	23.996494
"1067805"	171.013323333333	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2H+Na"	25.00377
"1271301"	521.069686	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+CH3OH+H"	33.033486
"386957"	1015.035558	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+K"	38.963158
"752692"	1503.071758	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+K"	38.963158
"1553286"	526.999358	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+K"	38.963158
"306455"	508.021417	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+H+K"	39.970434
"705438"	752.039517	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+H+K"	39.970434
"1455977"	264.003317	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H+K"	39.970434
"244580"	1018.106226	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+ACN+H"	42.033826
"1220568"	530.070026	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+ACN+H"	42.033826
"1204452"	265.538651	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+ACN+2H"	43.041102
"197325"	1021.04356	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+2Na-H"	44.97116
"634698"	1509.07976	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+2Na-H"	44.97116
"1145857"	533.00736	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2Na-H"	44.97116
"179306"	511.025418	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+2Na"	45.978436
"617410"	755.043518	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+2Na"	45.978436
"1123469"	267.007318	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2Na"	45.978436
"1402620"	178.340637333333	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H+2Na"	46.985712
"1438022"	535.048946	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H+HCOOH"	47.012746
"235134"	516.05844	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+3H2O+2H"	56.04448
"1519061"	549.10099	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+IsoProp+H"	61.06479
"419841"	519.012388	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+Na+K"	61.952376
"780836"	763.030488	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+Na+K"	61.952376
"1678264"	274.994288	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Na+K"	61.952376
"264784"	1040.088168	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+ACN+Na"	64.015768
"1239683"	552.051968	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+ACN+Na"	64.015768
"1727841"	552.075493	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+NH4+HCOOH"	64.039293
"1194047"	185.667951333333	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+3Na"	68.967654
"1664792"	557.030888	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Na+HCOOH"	68.994688
"172140"	1052.99144	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+2K-H"	76.91904
"611702"	1541.02764	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+2K-H"	76.91904
"1099010"	564.95524	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2K-H"	76.91904
"154846"	526.999358	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"2M+2K"	77.926316
"591123"	771.017458	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"3M+2K"	77.926316
"1078915"	282.981258	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2K"	77.926316
"1105563"	566.969792	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2K+H"	78.933592
"1340861"	567.057407	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+DMSO+H"	79.021207
"1009755"	571.096576	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2ACN+H"	83.060376
"1530797"	572.090208	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+IsoProp+Na+H"	84.054008
"995057"	286.051926	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+2ACN+2H"	84.067652
"1601595"	573.004828	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+K+HCOOH"	84.968628
"1427253"	603.036338	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+H+CF3COOH"	115.000138
"1154261"	306.565201	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+3ACN+2H"	125.094202
"1698348"	620.062885	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+NH4+CF3COOH"	132.026685
"1646031"	625.01828	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+Na+CF3COOH"	136.98208
"1583868"	640.99222	"C18430"	"Flufenoxuron"	"C21H11ClF6N2O3"	"488.0362"	"M+K+CF3COOH"	152.95602
"804391"	528.9529	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M"	0
"979016"	509.93451	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-H2O-H"	-19.01839
"73820"	351.627990666667	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M-3H"	-3.021828
"514475"	527.945624	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M-3H"	-3.021828
"887902"	175.310357333333	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-3H"	-3.021828
"9758"	527.945624	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M-2H"	-2.014552
"451505"	792.422074	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M-2H"	-2.014552
"828214"	263.469174	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-2H"	-2.014552
"90393"	1056.898524	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M-H"	-1.007276
"533526"	1585.851424	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M-H"	-1.007276
"908868"	527.945624	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-H"	-1.007276
"60327"	1073.925071	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M-2H+NH4"	16.019271
"502437"	1602.877971	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M-2H+NH4"	16.019271
"879510"	544.972171	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-2H+NH4"	16.019271
"45221"	1078.880466	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M-2H+Na"	20.974666
"484780"	1607.833366	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M-2H+Na"	20.974666
"859300"	549.927566	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-2H+Na"	20.974666
"1625554"	549.927566	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Na-2H"	20.974666
"100990"	545.933963	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M-H+Cl"	33.962126
"542737"	810.410413	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M-H+Cl"	33.962126
"936251"	281.457513	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-H+Cl"	33.962126
"276992"	1092.875202	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+Cl"	34.969402
"668319"	1621.828102	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+Cl"	34.969402
"1284003"	563.922302	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Cl"	34.969402
"17447"	1094.854406	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M-2H+K"	36.948606
"457494"	1623.807306	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M-2H+K"	36.948606
"834448"	565.901506	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-2H+K"	36.948606
"1558299"	565.901506	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+K-2H"	36.948606
"944112"	573.951094	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-H+HCOOH"	44.998194
"363057"	1102.904001	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+HCOOH-H"	44.998201
"346454"	1116.919651	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+Hac-H"	59.013851
"1492970"	587.966751	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Hac-H"	59.013851
"961010"	595.933051	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-H+NaCOOH"	66.980151
"113562"	563.922302	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+2Cl"	69.938804
"554583"	828.398752	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+2Cl"	69.938804
"1035412"	299.445852	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2Cl"	69.938804
"1250616"	607.871785	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Br"	78.918885
"1317439"	609.927772	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Cl+HCOOH"	80.974872
"1328377"	631.909729	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Cl+NaCOOH"	102.956829
"916153"	641.938486	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M-H+CF3COOH"	112.985586
"1290673"	677.915164	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Cl+CF3COOH"	148.962264
"1368103"	493.940224	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H-2H2O"	-35.012676
"1388524"	511.9502	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H-H2O"	-17.0027
"298262"	1058.913076	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+H"	1.007276
"688655"	1587.865976	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+H"	1.007276
"1362819"	529.960176	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H"	1.007276
"137525"	529.960176	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+2H"	2.014552
"574901"	794.436626	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+2H"	2.014552
"1043697"	265.483726	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2H"	2.014552
"213787"	353.642542666667	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+3H"	3.021828
"646058"	529.960176	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+3H"	3.021828
"1169289"	177.324909333333	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+3H"	3.021828
"435842"	1075.939623	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+NH4"	18.033823
"796843"	1604.892523	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+NH4"	18.033823
"1695730"	546.986723	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+NH4"	18.033823
"338169"	538.4734495	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+H+NH4"	19.041099
"736059"	802.9498995	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+H+NH4"	19.041099
"1487694"	273.9969995	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H+NH4"	19.041099
"406373"	1080.895018	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+Na"	22.989218
"765182"	1609.847918	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+Na"	22.989218
"1615468"	551.942118	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Na"	22.989218
"326964"	540.951147	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+H+Na"	23.996494
"719750"	805.427597	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+H+Na"	23.996494
"1473206"	276.474697	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H+Na"	23.996494
"1068155"	184.652223333333	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2H+Na"	25.00377
"1271979"	561.986386	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+CH3OH+H"	33.033486
"387067"	1096.868958	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+K"	38.963158
"754209"	1625.821858	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+K"	38.963158
"1555183"	567.916058	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+K"	38.963158
"313126"	548.938117	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+H+K"	39.970434
"707067"	813.414567	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+H+K"	39.970434
"1459003"	284.461667	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H+K"	39.970434
"249428"	1099.939626	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+ACN+H"	42.033826
"1220679"	570.986726	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+ACN+H"	42.033826
"1202376"	285.997001	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+ACN+2H"	43.041102
"202901"	1102.87696	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+2Na-H"	44.97116
"641369"	1631.82986	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+2Na-H"	44.97116
"1146711"	573.92406	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2Na-H"	44.97116
"182697"	551.942118	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+2Na"	45.978436
"622261"	816.418568	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+2Na"	45.978436
"1124673"	287.465668	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2Na"	45.978436
"1408199"	191.979537333333	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H+2Na"	46.985712
"1443236"	575.965646	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H+HCOOH"	47.012746
"233793"	556.97514	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+3H2O+2H"	56.04448
"1523312"	590.01769	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+IsoProp+H"	61.06479
"422137"	559.929088	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+Na+K"	61.952376
"780946"	824.405538	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+Na+K"	61.952376
"1680446"	295.452638	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Na+K"	61.952376
"266479"	1121.921568	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+ACN+Na"	64.015768
"1240524"	592.968668	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+ACN+Na"	64.015768
"1727107"	592.992193	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+NH4+HCOOH"	64.039293
"1192949"	199.306851333333	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+3Na"	68.967654
"1664661"	597.947588	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Na+HCOOH"	68.994688
"171769"	1134.82484	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+2K-H"	76.91904
"612585"	1663.77774	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+2K-H"	76.91904
"1099688"	605.87194	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2K-H"	76.91904
"156171"	567.916058	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"2M+2K"	77.926316
"595486"	832.392508	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"3M+2K"	77.926316
"1076837"	303.439608	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2K"	77.926316
"1107859"	607.886492	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2K+H"	78.933592
"1337809"	607.974107	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+DMSO+H"	79.021207
"1008038"	612.013276	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2ACN+H"	83.060376
"1528718"	613.006908	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+IsoProp+Na+H"	84.054008
"992249"	306.510276	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+2ACN+2H"	84.067652
"1598425"	613.921528	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+K+HCOOH"	84.968628
"1424083"	643.953038	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+H+CF3COOH"	115.000138
"1157652"	327.023551	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+3ACN+2H"	125.094202
"1697360"	660.979585	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+NH4+CF3COOH"	132.026685
"1649057"	665.93498	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+Na+CF3COOH"	136.98208
"1583978"	681.90892	"C18431"	"Iodosulfuron-methyl-sodium;Iodosulfuron-methyl sodium salt"	"C14H13IN5O6SNa"	"528.9529"	"M+K+CF3COOH"	152.95602
"811062"	211.1321	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M"	0
"981314"	192.11371	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-H2O-H"	-19.01839
"73931"	139.747457333333	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M-3H"	-3.021828
"514585"	210.124824	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M-3H"	-3.021828
"889106"	69.3700906666667	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-3H"	-3.021828
"3306"	210.124824	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M-2H"	-2.014552
"445054"	315.690874	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M-2H"	-2.014552
"821762"	104.558774	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-2H"	-2.014552
"87221"	421.256924	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M-H"	-1.007276
"532256"	632.389024	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M-H"	-1.007276
"910922"	210.124824	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-H"	-1.007276
"60076"	438.283471	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M-2H+NH4"	16.019271
"502633"	649.415571	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M-2H+NH4"	16.019271
"879690"	227.151371	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-2H+NH4"	16.019271
"46268"	443.238866	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M-2H+Na"	20.974666
"485821"	654.370966	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M-2H+Na"	20.974666
"861599"	232.106766	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-2H+Na"	20.974666
"1632227"	232.106766	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Na-2H"	20.974666
"107660"	228.113163	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M-H+Cl"	33.962126
"549694"	333.679213	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M-H+Cl"	33.962126
"940734"	122.547113	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-H+Cl"	33.962126
"277102"	457.233602	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+Cl"	34.969402
"668429"	668.365702	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+Cl"	34.969402
"1284113"	246.101502	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Cl"	34.969402
"22298"	459.212806	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M-2H+K"	36.948606
"462951"	670.344906	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M-2H+K"	36.948606
"840754"	248.080706	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-2H+K"	36.948606
"1560961"	248.080706	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+K-2H"	36.948606
"946656"	256.130294	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-H+HCOOH"	44.998194
"362073"	467.262401	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+HCOOH-H"	44.998201
"346321"	481.278051	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+Hac-H"	59.013851
"1492896"	270.145951	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Hac-H"	59.013851
"962213"	278.112251	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-H+NaCOOH"	66.980151
"113672"	246.101502	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+2Cl"	69.938804
"553964"	351.667552	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+2Cl"	69.938804
"1035157"	140.535452	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2Cl"	69.938804
"1249632"	290.050985	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Br"	78.918885
"1307705"	292.106972	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Cl+HCOOH"	80.974872
"1330674"	314.088929	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Cl+NaCOOH"	102.956829
"916263"	324.117686	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M-H+CF3COOH"	112.985586
"1289325"	360.094364	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Cl+CF3COOH"	148.962264
"1367045"	176.119424	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H-2H2O"	-35.012676
"1391914"	194.1294	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H-H2O"	-17.0027
"298333"	423.271476	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+H"	1.007276
"688036"	634.403576	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+H"	1.007276
"1364021"	212.139376	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H"	1.007276
"139094"	212.139376	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+2H"	2.014552
"577197"	317.705426	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+2H"	2.014552
"1043807"	106.573326	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2H"	2.014552
"214990"	141.762009333333	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+3H"	3.021828
"650179"	212.139376	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+3H"	3.021828
"1172679"	71.3846426666667	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+3H"	3.021828
"433764"	440.298023	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+NH4"	18.033823
"796954"	651.430123	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+NH4"	18.033823
"1696854"	229.165923	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+NH4"	18.033823
"345424"	220.6526495	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+H+NH4"	19.041099
"737959"	326.2186995	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+H+NH4"	19.041099
"1491093"	115.0865995	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H+NH4"	19.041099
"407951"	445.253418	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+Na"	22.989218
"767483"	656.385518	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+Na"	22.989218
"1616310"	234.121318	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Na"	22.989218
"328534"	223.130347	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+H+Na"	23.996494
"722738"	328.696397	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+H+Na"	23.996494
"1474045"	117.564297	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H+Na"	23.996494
"1063281"	78.7119566666667	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2H+Na"	25.00377
"1271523"	244.165586	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+CH3OH+H"	33.033486
"392490"	461.227358	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+K"	38.963158
"752916"	672.359458	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+K"	38.963158
"1553873"	250.095258	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+K"	38.963158
"312144"	231.117317	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+H+K"	39.970434
"706270"	336.683367	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+H+K"	39.970434
"1458384"	125.551267	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H+K"	39.970434
"248809"	464.298026	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+ACN+H"	42.033826
"1220425"	253.165926	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+ACN+H"	42.033826
"1200300"	127.086601	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+ACN+2H"	43.041102
"203011"	467.23536	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+2Na-H"	44.97116
"641479"	678.36746	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+2Na-H"	44.97116
"1146988"	256.10326	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2Na-H"	44.97116
"187181"	234.121318	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+2Na"	45.978436
"620185"	339.687368	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+2Na"	45.978436
"1124783"	128.555268	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2Na"	45.978436
"1407216"	86.0392706666667	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H+2Na"	46.985712
"1443346"	258.144846	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H+HCOOH"	47.012746
"234510"	239.15434	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+3H2O+2H"	56.04448
"1524157"	272.19689	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+IsoProp+H"	61.06479
"418967"	242.108288	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+Na+K"	61.952376
"781056"	347.674338	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+Na+K"	61.952376
"1681274"	136.542238	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Na+K"	61.952376
"267041"	486.279968	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+ACN+Na"	64.015768
"1241119"	275.147868	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+ACN+Na"	64.015768
"1728349"	275.171393	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+NH4+HCOOH"	64.039293
"1193993"	93.3665846666667	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+3Na"	68.967654
"1665344"	280.126788	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Na+HCOOH"	68.994688
"172790"	499.18324	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+2K-H"	76.91904
"612700"	710.31534	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+2K-H"	76.91904
"1099842"	288.05114	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2K-H"	76.91904
"156767"	250.095258	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"2M+2K"	77.926316
"594624"	355.661308	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"3M+2K"	77.926316
"1074760"	144.529208	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2K"	77.926316
"1107969"	290.065692	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2K+H"	78.933592
"1344361"	290.153307	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+DMSO+H"	79.021207
"1012162"	294.192476	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2ACN+H"	83.060376
"1528830"	295.186108	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+IsoProp+Na+H"	84.054008
"995277"	147.599876	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+2ACN+2H"	84.067652
"1599628"	296.100728	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+K+HCOOH"	84.968628
"1424193"	326.132238	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+H+CF3COOH"	115.000138
"1157762"	168.113151	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+3ACN+2H"	125.094202
"1697349"	343.158785	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+NH4+CF3COOH"	132.026685
"1649167"	348.11418	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+Na+CF3COOH"	136.98208
"1584088"	364.08812	"C18432"	"Isouron"	"C10H17N3O2"	"211.1321"	"M+K+CF3COOH"	152.95602
"807891"	279.1583	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M"	0
"979236"	260.13991	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-H2O-H"	-19.01839
"70759"	185.098257333333	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M-3H"	-3.021828
"511414"	278.151024	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M-3H"	-3.021828
"887028"	92.0454906666667	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-3H"	-3.021828
"859"	278.151024	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M-2H"	-2.014552
"447350"	417.730174	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M-2H"	-2.014552
"821872"	138.571874	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-2H"	-2.014552
"85144"	557.309324	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M-H"	-1.007276
"522517"	836.467624	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M-H"	-1.007276
"910171"	278.151024	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-H"	-1.007276
"61509"	574.335871	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M-2H+NH4"	16.019271
"501557"	853.494171	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M-2H+NH4"	16.019271
"879112"	295.177571	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-2H+NH4"	16.019271
"46663"	579.291266	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M-2H+Na"	20.974666
"485971"	858.449566	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M-2H+Na"	20.974666
"862803"	300.132966	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-2H+Na"	20.974666
"1633428"	300.132966	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Na-2H"	20.974666
"107770"	296.139363	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M-H+Cl"	33.962126
"549195"	435.718513	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M-H+Cl"	33.962126
"939751"	156.560213	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-H+Cl"	33.962126
"277212"	593.286002	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+Cl"	34.969402
"668539"	872.444302	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+Cl"	34.969402
"1285317"	314.127702	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Cl"	34.969402
"19128"	595.265206	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M-2H+K"	36.948606
"459781"	874.423506	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M-2H+K"	36.948606
"840864"	316.106906	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-2H+K"	36.948606
"1558884"	316.106906	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+K-2H"	36.948606
"945673"	324.156494	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-H+HCOOH"	44.998194
"361737"	603.314801	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+HCOOH-H"	44.998201
"346310"	617.330451	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+Hac-H"	59.013851
"1492965"	338.172151	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Hac-H"	59.013851
"961230"	346.138451	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-H+NaCOOH"	66.980151
"113418"	314.127702	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+2Cl"	69.938804
"553710"	453.706852	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+2Cl"	69.938804
"1035267"	174.548552	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2Cl"	69.938804
"1249742"	358.077185	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Br"	78.918885
"1304899"	360.133172	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Cl+HCOOH"	80.974872
"1324219"	382.115129	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Cl+NaCOOH"	102.956829
"915280"	392.143886	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M-H+CF3COOH"	112.985586
"1289920"	428.120564	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Cl+CF3COOH"	148.962264
"1368081"	244.145624	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H-2H2O"	-35.012676
"1388744"	262.1556	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H-H2O"	-17.0027
"297185"	559.323876	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+H"	1.007276
"687416"	838.482176	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+H"	1.007276
"1363765"	280.165576	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H"	1.007276
"137745"	280.165576	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+2H"	2.014552
"576214"	419.744726	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+2H"	2.014552
"1043917"	140.586426	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2H"	2.014552
"215100"	187.112809333333	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+3H"	3.021828
"650289"	280.165576	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+3H"	3.021828
"1171696"	94.0600426666667	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+3H"	3.021828
"432781"	576.350423	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+NH4"	18.033823
"795970"	855.508723	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+NH4"	18.033823
"1696195"	297.192123	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+NH4"	18.033823
"343861"	288.6788495	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+H+NH4"	19.041099
"737016"	428.2579995	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+H+NH4"	19.041099
"1492298"	149.0996995	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H+NH4"	19.041099
"407328"	581.305818	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+Na"	22.989218
"767232"	860.464118	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+Na"	22.989218
"1616055"	302.147518	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Na"	22.989218
"329619"	291.156547	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+H+Na"	23.996494
"718877"	430.735697	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+H+Na"	23.996494
"1475862"	151.577397	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H+Na"	23.996494
"1066672"	101.387356666667	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2H+Na"	25.00377
"1268350"	312.191786	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+CH3OH+H"	33.033486
"389112"	597.279758	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+K"	38.963158
"753754"	876.438058	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+K"	38.963158
"1554348"	318.121458	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+K"	38.963158
"311523"	299.143517	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+H+K"	39.970434
"703216"	438.722667	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+H+K"	39.970434
"1456307"	159.564367	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H+K"	39.970434
"250014"	600.350426	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+ACN+H"	42.033826
"1222722"	321.192126	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+ACN+H"	42.033826
"1202597"	161.099701	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+ACN+2H"	43.041102
"203247"	603.28776	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+2Na-H"	44.97116
"638310"	882.44606	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+2Na-H"	44.97116
"1146435"	324.12946	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2Na-H"	44.97116
"182918"	302.147518	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+2Na"	45.978436
"616285"	441.726668	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+2Na"	45.978436
"1120519"	162.568368	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2Na"	45.978436
"1406598"	108.714670666667	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H+2Na"	46.985712
"1441270"	326.171046	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H+HCOOH"	47.012746
"235267"	307.18054	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+3H2O+2H"	56.04448
"1523853"	340.22309	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+IsoProp+H"	61.06479
"417985"	310.134488	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+Na+K"	61.952376
"780074"	449.713638	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+Na+K"	61.952376
"1680864"	170.555338	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Na+K"	61.952376
"267036"	622.332368	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+ACN+Na"	64.015768
"1241216"	343.174068	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+ACN+Na"	64.015768
"1727936"	343.197593	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+NH4+HCOOH"	64.039293
"1193696"	116.041984666667	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+3Na"	68.967654
"1665328"	348.152988	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Na+HCOOH"	68.994688
"172804"	635.23564	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+2K-H"	76.91904
"612520"	914.39394	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+2K-H"	76.91904
"1099627"	356.07734	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2K-H"	76.91904
"157098"	318.121458	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"2M+2K"	77.926316
"594734"	457.700608	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"3M+2K"	77.926316
"1079245"	178.542308	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2K"	77.926316
"1108809"	358.091892	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2K+H"	78.933592
"1344472"	358.179507	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+DMSO+H"	79.021207
"1013002"	362.218676	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2ACN+H"	83.060376
"1528940"	363.212308	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+IsoProp+Na+H"	84.054008
"994294"	181.612976	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+2ACN+2H"	84.067652
"1590986"	364.126928	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+K+HCOOH"	84.968628
"1424303"	394.158438	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+H+CF3COOH"	115.000138
"1154591"	202.126251	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+3ACN+2H"	125.094202
"1697582"	411.184985	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+NH4+CF3COOH"	132.026685
"1649767"	416.14038	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+Na+CF3COOH"	136.98208
"1584198"	432.11432	"C18433"	"Karbutilate"	"C14H21N3O3"	"279.1583"	"M+K+CF3COOH"	152.95602
"804721"	509.9784	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M"	0
"984814"	490.96001	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-H2O-H"	-19.01839
"74150"	338.978324	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M-3H"	-3.021828
"512617"	508.971124	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M-3H"	-3.021828
"887138"	168.985524	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-3H"	-3.021828
"848"	508.971124	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M-2H"	-2.014552
"446367"	763.960324	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M-2H"	-2.014552
"823075"	253.981924	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-2H"	-2.014552
"86348"	1018.949524	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M-H"	-1.007276
"525906"	1528.927924	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M-H"	-1.007276
"910891"	508.971124	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-H"	-1.007276
"62228"	1035.976071	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M-2H+NH4"	16.019271
"502799"	1545.954471	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M-2H+NH4"	16.019271
"879767"	525.997671	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-2H+NH4"	16.019271
"46847"	1040.931466	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M-2H+Na"	20.974666
"485962"	1550.909866	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M-2H+Na"	20.974666
"863280"	530.953066	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-2H+Na"	20.974666
"1632445"	530.953066	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Na-2H"	20.974666
"107880"	526.959463	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M-H+Cl"	33.962126
"547440"	781.948663	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M-H+Cl"	33.962126
"938767"	271.970263	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-H+Cl"	33.962126
"277322"	1054.926202	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+Cl"	34.969402
"668648"	1564.904602	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+Cl"	34.969402
"1282145"	544.947802	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Cl"	34.969402
"19238"	1056.905406	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M-2H+K"	36.948606
"457095"	1566.883806	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M-2H+K"	36.948606
"837694"	546.927006	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-2H+K"	36.948606
"1557901"	546.927006	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+K-2H"	36.948606
"946876"	554.976594	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-H+HCOOH"	44.998194
"361416"	1064.955001	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+HCOOH-H"	44.998201
"348973"	1078.970651	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+Hac-H"	59.013851
"1492799"	568.992251	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Hac-H"	59.013851
"959274"	576.958551	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-H+NaCOOH"	66.980151
"110115"	544.947802	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+2Cl"	69.938804
"553820"	799.937002	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+2Cl"	69.938804
"1025900"	289.958602	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2Cl"	69.938804
"1249852"	588.897285	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Br"	78.918885
"1305859"	590.953272	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Cl+HCOOH"	80.974872
"1324328"	612.935229	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Cl+NaCOOH"	102.956829
"911819"	622.963986	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M-H+CF3COOH"	112.985586
"1289134"	658.940664	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Cl+CF3COOH"	148.962264
"1369156"	474.965724	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H-2H2O"	-35.012676
"1388854"	492.9757	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H-H2O"	-17.0027
"295834"	1020.964076	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+H"	1.007276
"687889"	1530.942476	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+H"	1.007276
"1357311"	510.985676	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H"	1.007276
"128376"	510.985676	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+2H"	2.014552
"573040"	765.974876	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+2H"	2.014552
"1038559"	255.996476	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2H"	2.014552
"208648"	340.992876	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+3H"	3.021828
"650399"	510.985676	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+3H"	3.021828
"1170712"	171.000076	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+3H"	3.021828
"432891"	1037.990623	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+NH4"	18.033823
"798264"	1547.969023	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+NH4"	18.033823
"1693499"	528.012223	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+NH4"	18.033823
"343242"	519.4989495	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+H+NH4"	19.041099
"738219"	774.4881495	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+H+NH4"	19.041099
"1491923"	264.5097495	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H+NH4"	19.041099
"407685"	1042.946018	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+Na"	22.989218
"768799"	1552.924418	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+Na"	22.989218
"1615437"	532.967618	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Na"	22.989218
"329246"	521.976647	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+H+Na"	23.996494
"716436"	776.965847	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+H+Na"	23.996494
"1475847"	266.987447	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H+Na"	23.996494
"1067146"	178.32739	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2H+Na"	25.00377
"1269553"	543.011886	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+CH3OH+H"	33.033486
"391045"	1058.919958	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+K"	38.963158
"751674"	1568.898358	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+K"	38.963158
"1554702"	548.941558	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+K"	38.963158
"309446"	529.963617	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+H+K"	39.970434
"703691"	784.952817	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+H+K"	39.970434
"1456417"	274.974417	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H+K"	39.970434
"249030"	1061.990626	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+ACN+H"	42.033826
"1222832"	552.012226	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+ACN+H"	42.033826
"1208175"	276.509751	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+ACN+2H"	43.041102
"202139"	1064.92796	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+2Na-H"	44.97116
"640242"	1574.90636	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+2Na-H"	44.97116
"1143747"	554.94956	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2Na-H"	44.97116
"185944"	532.967618	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+2Na"	45.978436
"620403"	787.956818	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+2Na"	45.978436
"1121722"	277.978418	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2Na"	45.978436
"1407072"	185.654704	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H+2Na"	46.985712
"1441380"	556.991146	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H+HCOOH"	47.012746
"234365"	538.00064	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+3H2O+2H"	56.04448
"1523151"	571.04319	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+IsoProp+H"	61.06479
"419188"	540.954588	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+Na+K"	61.952376
"781277"	795.943788	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+Na+K"	61.952376
"1680163"	285.965388	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Na+K"	61.952376
"266899"	1083.972568	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+ACN+Na"	64.015768
"1241081"	573.994168	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+ACN+Na"	64.015768
"1727439"	574.017693	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+NH4+HCOOH"	64.039293
"1193972"	192.982018	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+3Na"	68.967654
"1664629"	578.973088	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Na+HCOOH"	68.994688
"172099"	1096.87584	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+2K-H"	76.91904
"612308"	1606.85424	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+2K-H"	76.91904
"1099818"	586.89744	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2K-H"	76.91904
"156961"	548.941558	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"2M+2K"	77.926316
"594602"	803.930758	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"3M+2K"	77.926316
"1080084"	293.952358	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2K"	77.926316
"1111835"	588.911992	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2K+H"	78.933592
"1344582"	588.999607	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+DMSO+H"	79.021207
"1010926"	593.038776	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2ACN+H"	83.060376
"1527228"	594.032408	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+IsoProp+Na+H"	84.054008
"993675"	297.023026	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+2ACN+2H"	84.067652
"1590003"	594.947028	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+K+HCOOH"	84.968628
"1424413"	624.978538	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+H+CF3COOH"	115.000138
"1152514"	317.536301	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+3ACN+2H"	125.094202
"1699881"	642.005085	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+NH4+CF3COOH"	132.026685
"1649714"	646.96048	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+Na+CF3COOH"	136.98208
"1584308"	662.93442	"C18434"	"Lufenuron"	"C17H8Cl2F8N2O3"	"509.9784"	"M+K+CF3COOH"	152.95602
"804831"	232.1576	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M"	0
"981644"	213.13921	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-H2O-H"	-19.01839
"68795"	153.764457333333	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M-3H"	-3.021828
"512728"	231.150324	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M-3H"	-3.021828
"886156"	76.3785906666667	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-3H"	-3.021828
"4732"	231.150324	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M-2H"	-2.014552
"444292"	347.229124	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M-2H"	-2.014552
"827561"	115.071524	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-2H"	-2.014552
"87552"	463.307924	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M-H"	-1.007276
"526017"	695.465524	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M-H"	-1.007276
"909183"	231.150324	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-H"	-1.007276
"61370"	480.334471	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M-2H+NH4"	16.019271
"501296"	712.492071	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M-2H+NH4"	16.019271
"878854"	248.176871	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-2H+NH4"	16.019271
"45901"	485.289866	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M-2H+Na"	20.974666
"483029"	717.447466	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M-2H+Na"	20.974666
"858648"	253.132266	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-2H+Na"	20.974666
"1631460"	253.132266	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Na-2H"	20.974666
"104709"	249.138663	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M-H+Cl"	33.962126
"545362"	365.217463	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M-H+Cl"	33.962126
"938877"	133.059863	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-H+Cl"	33.962126
"277434"	499.284602	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+Cl"	34.969402
"670949"	731.442202	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+Cl"	34.969402
"1278976"	267.127002	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Cl"	34.969402
"22628"	501.263806	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M-2H+K"	36.948606
"467294"	733.421406	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M-2H+K"	36.948606
"837805"	269.106206	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-2H+K"	36.948606
"1559104"	269.106206	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+K-2H"	36.948606
"946986"	277.155794	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-H+HCOOH"	44.998194
"362040"	509.313401	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+HCOOH-H"	44.998201
"350179"	523.329051	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+Hac-H"	59.013851
"1493540"	291.171451	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Hac-H"	59.013851
"959867"	299.137751	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-H+NaCOOH"	66.980151
"114367"	267.127002	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+2Cl"	69.938804
"560492"	383.205802	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+2Cl"	69.938804
"1028197"	151.048202	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2Cl"	69.938804
"1246684"	311.076485	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Br"	78.918885
"1311319"	313.132472	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Cl+HCOOH"	80.974872
"1325533"	335.114429	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Cl+NaCOOH"	102.956829
"917687"	345.143186	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M-H+CF3COOH"	112.985586
"1293302"	381.119864	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Cl+CF3COOH"	148.962264
"1368544"	197.144924	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H-2H2O"	-35.012676
"1390056"	215.1549	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H-H2O"	-17.0027
"294850"	465.322476	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+H"	1.007276
"689097"	697.480076	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+H"	1.007276
"1363256"	233.164876	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H"	1.007276
"137238"	233.164876	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+2H"	2.014552
"575341"	349.243676	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+2H"	2.014552
"1049974"	117.086076	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2H"	2.014552
"215322"	155.779009333333	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+3H"	3.021828
"652697"	233.164876	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+3H"	3.021828
"1176295"	78.3931426666667	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+3H"	3.021828
"438476"	482.349023	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+NH4"	18.033823
"799107"	714.506623	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+NH4"	18.033823
"1694710"	250.191423	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+NH4"	18.033823
"345056"	241.6781495	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+H+NH4"	19.041099
"736508"	357.7569495	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+H+NH4"	19.041099
"1491054"	125.5993495	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H+NH4"	19.041099
"407062"	487.304418	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+Na"	22.989218
"767814"	719.462018	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+Na"	22.989218
"1611535"	255.146818	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Na"	22.989218
"323759"	244.155847	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+H+Na"	23.996494
"716547"	360.234647	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+H+Na"	23.996494
"1476121"	128.077047	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H+Na"	23.996494
"1066528"	85.7204566666667	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2H+Na"	25.00377
"1271816"	265.191086	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+CH3OH+H"	33.033486
"390064"	503.278358	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+K"	38.963158
"751790"	735.435958	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+K"	38.963158
"1555106"	271.120758	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+K"	38.963158
"310283"	252.142817	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+H+K"	39.970434
"703802"	368.221617	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+H+K"	39.970434
"1460910"	136.064017	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H+K"	39.970434
"248411"	506.349026	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+ACN+H"	42.033826
"1220757"	274.191426	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+ACN+H"	42.033826
"1205370"	137.599351	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+ACN+2H"	43.041102
"198603"	509.28636	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+2Na-H"	44.97116
"638531"	741.44396	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+2Na-H"	44.97116
"1143131"	277.12876	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2Na-H"	44.97116
"182044"	255.146818	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+2Na"	45.978436
"620513"	371.225618	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+2Na"	45.978436
"1125117"	139.068018	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2Na"	45.978436
"1410830"	93.0477706666667	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H+2Na"	46.985712
"1445152"	279.170346	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H+HCOOH"	47.012746
"235209"	260.17984	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+3H2O+2H"	56.04448
"1523516"	293.22239	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+IsoProp+H"	61.06479
"423935"	263.133788	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+Na+K"	61.952376
"785615"	379.212588	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+Na+K"	61.952376
"1681013"	147.054988	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Na+K"	61.952376
"266766"	528.330968	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+ACN+Na"	64.015768
"1240850"	296.173368	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+ACN+Na"	64.015768
"1727186"	296.196893	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+NH4+HCOOH"	64.039293
"1192904"	100.375084666667	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+3Na"	68.967654
"1664494"	301.152288	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Na+HCOOH"	68.994688
"171968"	541.23424	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+2K-H"	76.91904
"612013"	773.39184	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+2K-H"	76.91904
"1099560"	309.07664	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2K-H"	76.91904
"156497"	271.120758	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"2M+2K"	77.926316
"592769"	387.199558	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"3M+2K"	77.926316
"1078375"	155.041958	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2K"	77.926316
"1110489"	311.091192	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2K+H"	78.933592
"1344692"	311.178807	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+DMSO+H"	79.021207
"1011036"	315.217976	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2ACN+H"	83.060376
"1528066"	316.211608	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+IsoProp+Na+H"	84.054008
"992327"	158.112626	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+2ACN+2H"	84.067652
"1599955"	317.126228	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+K+HCOOH"	84.968628
"1427803"	347.157738	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+H+CF3COOH"	115.000138
"1155904"	178.625901	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+3ACN+2H"	125.094202
"1702176"	364.184285	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+NH4+CF3COOH"	132.026685
"1636734"	369.13968	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+Na+CF3COOH"	136.98208
"1584418"	385.11362	"C18435"	"Siduron"	"C14H20N2O"	"232.1576"	"M+K+CF3COOH"	152.95602
"804941"	228.1045	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M"	0
"975558"	209.08611	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-H2O-H"	-19.01839
"67812"	151.062390666667	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M-3H"	-3.021828
"508465"	227.097224	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M-3H"	-3.021828
"886266"	75.0275573333333	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-3H"	-3.021828
"5935"	227.097224	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M-2H"	-2.014552
"445495"	341.149474	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M-2H"	-2.014552
"824391"	113.044974	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-2H"	-2.014552
"86569"	455.201724	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M-H"	-1.007276
"521755"	683.306224	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M-H"	-1.007276
"910627"	227.097224	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-H"	-1.007276
"62651"	472.228271	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M-2H+NH4"	16.019271
"501650"	700.332771	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M-2H+NH4"	16.019271
"879203"	244.123771	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-2H+NH4"	16.019271
"43578"	477.183666	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M-2H+Na"	20.974666
"484232"	705.288166	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M-2H+Na"	20.974666
"859851"	249.079166	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-2H+Na"	20.974666
"1629384"	249.079166	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Na-2H"	20.974666
"104818"	245.085563	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M-H+Cl"	33.962126
"546565"	359.137813	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M-H+Cl"	33.962126
"938987"	131.033313	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-H+Cl"	33.962126
"279367"	491.178402	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+Cl"	34.969402
"671060"	719.282902	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+Cl"	34.969402
"1279086"	263.073902	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Cl"	34.969402
"16782"	493.157606	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M-2H+K"	36.948606
"467768"	721.262106	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M-2H+K"	36.948606
"837915"	265.053106	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-2H+K"	36.948606
"1559214"	265.053106	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+K-2H"	36.948606
"946003"	273.102694	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-H+HCOOH"	44.998194
"362029"	501.207201	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+HCOOH-H"	44.998201
"351382"	515.222851	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+Hac-H"	59.013851
"1493287"	287.118351	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Hac-H"	59.013851
"958722"	295.084651	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-H+NaCOOH"	66.980151
"113384"	263.073902	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+2Cl"	69.938804
"560602"	377.126152	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+2Cl"	69.938804
"1028307"	149.021652	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2Cl"	69.938804
"1247887"	307.023385	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Br"	78.918885
"1309242"	309.079372	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Cl+HCOOH"	80.974872
"1321268"	331.061329	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Cl+NaCOOH"	102.956829
"913422"	341.090086	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M-H+CF3COOH"	112.985586
"1289396"	377.066764	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Cl+CF3COOH"	148.962264
"1367919"	193.091824	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H-2H2O"	-35.012676
"1390166"	211.1018	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H-H2O"	-17.0027
"294232"	457.216276	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+H"	1.007276
"689207"	685.320776	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+H"	1.007276
"1363003"	229.111776	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H"	1.007276
"136256"	229.111776	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+2H"	2.014552
"575087"	343.164026	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+2H"	2.014552
"1048992"	115.059526	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2H"	2.014552
"215068"	153.076942666667	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+3H"	3.021828
"650620"	229.111776	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+3H"	3.021828
"1175676"	77.0421093333333	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+3H"	3.021828
"437129"	474.242823	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+NH4"	18.033823
"797388"	702.347323	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+NH4"	18.033823
"1693360"	246.138323	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+NH4"	18.033823
"344921"	237.6250495	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+H+NH4"	19.041099
"737708"	351.6772995	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+H+NH4"	19.041099
"1490070"	123.5727995	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H+NH4"	19.041099
"403647"	479.198218	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+Na"	22.989218
"765737"	707.302718	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+Na"	22.989218
"1612741"	251.093718	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Na"	22.989218
"321682"	240.102747	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+H+Na"	23.996494
"717384"	354.154997	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+H+Na"	23.996494
"1473393"	126.050497	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H+Na"	23.996494
"1065545"	84.3694233333333	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2H+Na"	25.00377
"1271595"	261.137986	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+CH3OH+H"	33.033486
"389081"	495.172158	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+K"	38.963158
"752265"	723.276658	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+K"	38.963158
"1555170"	267.067658	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+K"	38.963158
"309299"	248.089717	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+H+K"	39.970434
"703182"	362.141967	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+H+K"	39.970434
"1460976"	134.037467	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H+K"	39.970434
"249615"	498.242826	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+ACN+H"	42.033826
"1221230"	270.138326	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+ACN+H"	42.033826
"1205843"	135.572801	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+ACN+2H"	43.041102
"198713"	501.18016	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+2Na-H"	44.97116
"639734"	729.28466	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+2Na-H"	44.97116
"1142877"	273.07566	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2Na-H"	44.97116
"183247"	251.093718	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+2Na"	45.978436
"622809"	365.145968	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+2Na"	45.978436
"1125955"	137.041468	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2Na"	45.978436
"1410939"	91.6967373333333	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H+2Na"	46.985712
"1445379"	275.117246	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H+HCOOH"	47.012746
"235650"	256.12674	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+3H2O+2H"	56.04448
"1524052"	289.16929	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+IsoProp+H"	61.06479
"424081"	259.080688	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+Na+K"	61.952376
"784666"	373.132938	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+Na+K"	61.952376
"1681246"	145.028438	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Na+K"	61.952376
"264355"	520.224768	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+ACN+Na"	64.015768
"1240913"	292.120268	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+ACN+Na"	64.015768
"1727652"	292.143793	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+NH4+HCOOH"	64.039293
"1193989"	99.0240513333333	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+3Na"	68.967654
"1665336"	297.099188	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Na+HCOOH"	68.994688
"172442"	533.12804	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+2K-H"	76.91904
"612480"	761.23254	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+2K-H"	76.91904
"1099505"	305.02354	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2K-H"	76.91904
"155141"	267.067658	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"2M+2K"	77.926316
"592877"	381.119908	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"3M+2K"	77.926316
"1078485"	153.015408	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2K"	77.926316
"1110599"	307.038092	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2K+H"	78.933592
"1343709"	307.125707	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+DMSO+H"	79.021207
"1011146"	311.164876	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2ACN+H"	83.060376
"1528176"	312.158508	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+IsoProp+Na+H"	84.054008
"992437"	156.086076	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+2ACN+2H"	84.067652
"1594598"	313.073128	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+K+HCOOH"	84.968628
"1427913"	343.104638	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+H+CF3COOH"	115.000138
"1156014"	176.599351	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+3ACN+2H"	125.094202
"1702285"	360.131185	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+NH4+CF3COOH"	132.026685
"1636844"	365.08658	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+Na+CF3COOH"	136.98208
"1584528"	381.06052	"C18436"	"Tebuthiuron"	"C9H16N4OS"	"228.1045"	"M+K+CF3COOH"	152.95602
"811612"	379.9742	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M"	0
"976397"	360.95581	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-H2O-H"	-19.01839
"69015"	252.308857333333	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M-3H"	-3.021828
"511855"	378.966924	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M-3H"	-3.021828
"887470"	125.650790666667	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-3H"	-3.021828
"7140"	378.966924	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M-2H"	-2.014552
"444512"	568.954024	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M-2H"	-2.014552
"823407"	188.979824	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-2H"	-2.014552
"87772"	758.941124	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M-H"	-1.007276
"525146"	1138.915324	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M-H"	-1.007276
"911139"	378.966924	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-H"	-1.007276
"59516"	775.967671	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M-2H+NH4"	16.019271
"500170"	1155.941871	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M-2H+NH4"	16.019271
"873598"	395.993471	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-2H+NH4"	16.019271
"43685"	780.923066	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M-2H+Na"	20.974666
"482152"	1160.897266	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M-2H+Na"	20.974666
"862877"	400.948866	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-2H+Na"	20.974666
"1628401"	400.948866	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Na-2H"	20.974666
"108210"	396.955263	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M-H+Cl"	33.962126
"548621"	586.942363	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M-H+Cl"	33.962126
"939826"	206.968163	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-H+Cl"	33.962126
"278747"	794.917802	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+Cl"	34.969402
"672991"	1174.892002	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+Cl"	34.969402
"1280289"	414.943602	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Cl"	34.969402
"19567"	796.897006	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M-2H+K"	36.948606
"469336"	1176.871206	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M-2H+K"	36.948606
"841305"	416.922806	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-2H+K"	36.948606
"1564792"	416.922806	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+K-2H"	36.948606
"948300"	424.972394	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-H+HCOOH"	44.998194
"365424"	804.946601	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+HCOOH-H"	44.998201
"350399"	818.962251	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+Hac-H"	59.013851
"1494126"	438.988051	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Hac-H"	59.013851
"960211"	446.954351	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-H+NaCOOH"	66.980151
"113494"	414.943602	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+2Cl"	69.938804
"560712"	604.930702	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+2Cl"	69.938804
"1028418"	224.956502	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2Cl"	69.938804
"1247634"	458.893085	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Br"	78.918885
"1307165"	460.949072	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Cl+HCOOH"	80.974872
"1325026"	482.931029	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Cl+NaCOOH"	102.956829
"914625"	492.959786	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M-H+CF3COOH"	112.985586
"1291333"	528.936464	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Cl+CF3COOH"	148.962264
"1367423"	344.961524	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H-2H2O"	-35.012676
"1390276"	362.9715	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H-H2O"	-17.0027
"294341"	760.955676	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+H"	1.007276
"688224"	1140.929876	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+H"	1.007276
"1365791"	380.981476	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H"	1.007276
"138919"	380.981476	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+2H"	2.014552
"579576"	570.968576	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+2H"	2.014552
"1049468"	190.994376	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2H"	2.014552
"215544"	254.323409333333	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+3H"	3.021828
"652917"	380.981476	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+3H"	3.021828
"1176515"	127.665342666667	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+3H"	3.021828
"437601"	777.982223	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+NH4"	18.033823
"798229"	1157.956423	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+NH4"	18.033823
"1693836"	398.008023	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+NH4"	18.033823
"342842"	389.4947495	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+H+NH4"	19.041099
"734537"	579.4818495	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+H+NH4"	19.041099
"1492169"	199.5076495	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H+NH4"	19.041099
"407405"	782.937618	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+Na"	22.989218
"768034"	1162.911818	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+Na"	22.989218
"1612851"	402.963418	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Na"	22.989218
"322888"	391.972447	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+H+Na"	23.996494
"717495"	581.959547	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+H+Na"	23.996494
"1474963"	201.985347	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H+Na"	23.996494
"1065655"	134.992656666667	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2H+Na"	25.00377
"1268426"	413.007686	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+CH3OH+H"	33.033486
"389920"	798.911558	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+K"	38.963158
"751282"	1178.885758	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+K"	38.963158
"1552970"	418.937358	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+K"	38.963158
"311238"	399.959417	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+H+K"	39.970434
"701833"	589.946517	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+H+K"	39.970434
"1460030"	209.972317	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H+K"	39.970434
"247902"	801.982226	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+ACN+H"	42.033826
"1218060"	422.008026	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+ACN+H"	42.033826
"1198664"	211.507651	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+ACN+2H"	43.041102
"197002"	804.91956	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+2Na-H"	44.97116
"640576"	1184.89376	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+2Na-H"	44.97116
"1140799"	424.94536	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2Na-H"	44.97116
"178985"	402.963418	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+2Na"	45.978436
"622558"	592.950518	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+2Na"	45.978436
"1126431"	212.976318	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2Na"	45.978436
"1410320"	142.319970666667	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H+2Na"	46.985712
"1444149"	426.986946	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H+HCOOH"	47.012746
"235510"	407.99644	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+3H2O+2H"	56.04448
"1524083"	441.03899	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+IsoProp+H"	61.06479
"423744"	410.950388	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+Na+K"	61.952376
"785579"	600.937488	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+Na+K"	61.952376
"1681077"	220.963288	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Na+K"	61.952376
"267047"	823.964168	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+ACN+Na"	64.015768
"1241255"	443.989968	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+ACN+Na"	64.015768
"1728299"	444.013493	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+NH4+HCOOH"	64.039293
"1194018"	149.647284666667	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+3Na"	68.967654
"1665208"	448.968888	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Na+HCOOH"	68.994688
"172712"	836.86744	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+2K-H"	76.91904
"609544"	1216.84164	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+2K-H"	76.91904
"1099906"	456.89324	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2K-H"	76.91904
"155130"	418.937358	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"2M+2K"	77.926316
"591896"	608.924458	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"3M+2K"	77.926316
"1079686"	228.950258	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2K"	77.926316
"1110709"	458.907792	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2K+H"	78.933592
"1342724"	458.995407	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+DMSO+H"	79.021207
"1013443"	463.034576	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2ACN+H"	83.060376
"1529380"	464.028208	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+IsoProp+Na+H"	84.054008
"996923"	232.020926	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+2ACN+2H"	84.067652
"1602489"	464.942828	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+K+HCOOH"	84.968628
"1428393"	494.974338	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+H+CF3COOH"	115.000138
"1162325"	252.534201	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+3ACN+2H"	125.094202
"1711873"	512.000885	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+NH4+CF3COOH"	132.026685
"1636954"	516.95628	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+Na+CF3COOH"	136.98208
"1584638"	532.93022	"C18437"	"Teflubenzuron"	"C14H6Cl2F4N2O2"	"379.9742"	"M+K+CF3COOH"	152.95602
"802974"	424.1026	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M"	0
"978693"	405.08421	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-H2O-H"	-19.01839
"68031"	281.727790666667	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M-3H"	-3.021828
"507590"	423.095324	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M-3H"	-3.021828
"885392"	140.360257333333	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-3H"	-3.021828
"8343"	423.095324	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M-2H"	-2.014552
"447902"	635.146624	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M-2H"	-2.014552
"824610"	211.044024	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-2H"	-2.014552
"87882"	847.197924	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M-H"	-1.007276
"525256"	1271.300524	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M-H"	-1.007276
"908532"	423.095324	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-H"	-1.007276
"60720"	864.224471	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M-2H+NH4"	16.019271
"499187"	1288.327071	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M-2H+NH4"	16.019271
"875894"	440.121871	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-2H+NH4"	16.019271
"42334"	869.179866	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M-2H+Na"	20.974666
"474608"	1293.282466	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M-2H+Na"	20.974666
"861530"	445.077266	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-2H+Na"	20.974666
"1629604"	445.077266	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Na-2H"	20.974666
"105040"	441.083663	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M-H+Cl"	33.962126
"545694"	653.134963	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M-H+Cl"	33.962126
"938114"	229.032363	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-H+Cl"	33.962126
"275577"	883.174602	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+Cl"	34.969402
"670185"	1307.277202	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+Cl"	34.969402
"1279306"	459.072002	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Cl"	34.969402
"18583"	885.153806	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M-2H+K"	36.948606
"470174"	1309.256406	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M-2H+K"	36.948606
"841415"	461.051206	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-2H+K"	36.948606
"1561622"	461.051206	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+K-2H"	36.948606
"948410"	469.100794	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-H+HCOOH"	44.998194
"366627"	893.203401	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+HCOOH-H"	44.998201
"351603"	907.219051	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+Hac-H"	59.013851
"1495328"	483.116451	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Hac-H"	59.013851
"961049"	491.082751	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-H+NaCOOH"	66.980151
"113606"	459.072002	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+2Cl"	69.938804
"560822"	671.123302	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+2Cl"	69.938804
"1027435"	247.020702	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2Cl"	69.938804
"1247016"	503.021485	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Br"	78.918885
"1310556"	505.077472	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Cl+HCOOH"	80.974872
"1322585"	527.059429	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Cl+NaCOOH"	102.956829
"912183"	537.088186	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M-H+CF3COOH"	112.985586
"1290715"	573.064864	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Cl+CF3COOH"	148.962264
"1368509"	389.089924	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H-2H2O"	-35.012676
"1388198"	407.0999	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H-H2O"	-17.0027
"295180"	849.212476	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+H"	1.007276
"689063"	1273.315076	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+H"	1.007276
"1366268"	425.109876	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H"	1.007276
"137937"	425.109876	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+2H"	2.014552
"579687"	637.161176	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+2H"	2.014552
"1049579"	213.058576	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2H"	2.014552
"217478"	283.742342666667	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+3H"	3.021828
"656307"	425.109876	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+3H"	3.021828
"1175163"	142.374809333333	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+3H"	3.021828
"436979"	866.239023	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+NH4"	18.033823
"795421"	1290.341623	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+NH4"	18.033823
"1692850"	442.136423	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+NH4"	18.033823
"342586"	433.6231495	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+H+NH4"	19.041099
"735739"	645.6744495	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+H+NH4"	19.041099
"1489926"	221.5718495	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H+NH4"	19.041099
"404963"	871.194418	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+Na"	22.989218
"764864"	1295.297018	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+Na"	22.989218
"1612961"	447.091818	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Na"	22.989218
"322998"	436.100847	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+H+Na"	23.996494
"714326"	648.152147	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+H+Na"	23.996494
"1474345"	224.049547	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H+Na"	23.996494
"1063944"	149.702123333333	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2H+Na"	25.00377
"1269629"	457.136086	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+CH3OH+H"	33.033486
"389302"	887.168358	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+K"	38.963158
"752121"	1311.270958	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+K"	38.963158
"1553809"	463.065758	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+K"	38.963158
"312077"	444.087817	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+H+K"	39.970434
"699393"	656.139117	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+H+K"	39.970434
"1459656"	232.036517	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H+K"	39.970434
"247648"	890.239026	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+ACN+H"	42.033826
"1218170"	466.136426	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+ACN+H"	42.033826
"1199866"	233.571851	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+ACN+2H"	43.041102
"197112"	893.17636	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+2Na-H"	44.97116
"641776"	1317.27896	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+2Na-H"	44.97116
"1140180"	469.07376	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2Na-H"	44.97116
"180188"	447.091818	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+2Na"	45.978436
"620846"	659.143118	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+2Na"	45.978436
"1124355"	235.040518	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2Na"	45.978436
"1408245"	157.029437333333	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H+2Na"	46.985712
"1443651"	471.115346	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H+HCOOH"	47.012746
"235253"	452.12484	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+3H2O+2H"	56.04448
"1523933"	485.16739	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+IsoProp+H"	61.06479
"424142"	455.078788	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+Na+K"	61.952376
"785380"	667.130088	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+Na+K"	61.952376
"1680741"	243.027488	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Na+K"	61.952376
"264210"	912.220968	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+ACN+Na"	64.015768
"1239961"	488.118368	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+ACN+Na"	64.015768
"1726170"	488.141893	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+NH4+HCOOH"	64.039293
"1193472"	164.356751333333	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+3Na"	68.967654
"1665308"	493.097288	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Na+HCOOH"	68.994688
"172782"	925.12424	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+2K-H"	76.91904
"611478"	1349.22684	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+2K-H"	76.91904
"1099727"	501.02164	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2K-H"	76.91904
"155970"	463.065758	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"2M+2K"	77.926316
"593097"	675.117058	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"3M+2K"	77.926316
"1075422"	251.014458	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2K"	77.926316
"1110818"	503.036192	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2K+H"	78.933592
"1343927"	503.123807	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+DMSO+H"	79.021207
"1015739"	507.162976	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2ACN+H"	83.060376
"1529490"	508.156608	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+IsoProp+Na+H"	84.054008
"993753"	254.085126	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+2ACN+2H"	84.067652
"1601993"	509.071228	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+K+HCOOH"	84.968628
"1428867"	539.102738	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+H+CF3COOH"	115.000138
"1162071"	274.598401	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+3ACN+2H"	125.094202
"1712226"	556.129285	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+NH4+CF3COOH"	132.026685
"1637064"	561.08468	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+Na+CF3COOH"	136.98208
"1584748"	577.05862	"C18438"	"Azimsulfuron"	"C13H16N10O5S"	"424.1026"	"M+K+CF3COOH"	152.95602
"802152"	421.1056	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M"	0
"978803"	402.08721	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-H2O-H"	-19.01839
"68141"	279.729790666667	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M-3H"	-3.021828
"507700"	420.098324	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M-3H"	-3.021828
"883316"	139.361257333333	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-3H"	-3.021828
"8453"	420.098324	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M-2H"	-2.014552
"445825"	630.651124	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M-2H"	-2.014552
"823627"	209.545524	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-2H"	-2.014552
"84712"	841.203924	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M-H"	-1.007276
"525366"	1262.309524	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M-H"	-1.007276
"903174"	420.098324	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-H"	-1.007276
"53174"	858.230471	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M-2H+NH4"	16.019271
"496015"	1279.336071	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M-2H+NH4"	16.019271
"873817"	437.124871	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-2H+NH4"	16.019271
"37340"	863.185866	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M-2H+Na"	20.974666
"474718"	1284.291466	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M-2H+Na"	20.974666
"857994"	442.080266	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-2H+Na"	20.974666
"1629714"	442.080266	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Na-2H"	20.974666
"105879"	438.086663	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M-H+Cl"	33.962126
"545804"	648.639463	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M-H+Cl"	33.962126
"939317"	227.533863	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-H+Cl"	33.962126
"280426"	877.180602	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+Cl"	34.969402
"670295"	1298.286202	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+Cl"	34.969402
"1279416"	456.075002	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Cl"	34.969402
"20880"	879.159806	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M-2H+K"	36.948606
"469191"	1300.265406	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M-2H+K"	36.948606
"841525"	458.054206	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-2H+K"	36.948606
"1561732"	458.054206	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+K-2H"	36.948606
"947427"	466.103794	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-H+HCOOH"	44.998194
"365644"	887.209401	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+HCOOH-H"	44.998201
"351713"	901.225051	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+Hac-H"	59.013851
"1494346"	480.119451	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Hac-H"	59.013851
"960796"	488.085751	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-H+NaCOOH"	66.980151
"113716"	456.075002	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+2Cl"	69.938804
"555464"	666.627802	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+2Cl"	69.938804
"1029732"	245.522202	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2Cl"	69.938804
"1250406"	500.024485	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Br"	78.918885
"1310666"	502.080472	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Cl+HCOOH"	80.974872
"1322695"	524.062429	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Cl+NaCOOH"	102.956829
"913022"	534.091186	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M-H+CF3COOH"	112.985586
"1291551"	570.067864	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Cl+CF3COOH"	148.962264
"1367890"	386.092924	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H-2H2O"	-35.012676
"1386122"	404.1029	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H-H2O"	-17.0027
"296384"	843.218476	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+H"	1.007276
"688808"	1264.324076	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+H"	1.007276
"1365891"	422.112876	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H"	1.007276
"138047"	422.112876	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+2H"	2.014552
"579432"	632.665676	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+2H"	2.014552
"1048594"	211.560076	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2H"	2.014552
"215400"	281.744342666667	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+3H"	3.021828
"653137"	422.112876	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+3H"	3.021828
"1175273"	141.375809333333	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+3H"	3.021828
"434537"	860.245023	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+NH4"	18.033823
"791155"	1281.350623	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+NH4"	18.033823
"1694053"	439.139423	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+NH4"	18.033823
"339777"	430.6261495	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+H+NH4"	19.041099
"734390"	641.1789495	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+H+NH4"	19.041099
"1490764"	220.0733495	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H+NH4"	19.041099
"405073"	865.200418	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+Na"	22.989218
"763880"	1286.306018	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+Na"	22.989218
"1613071"	444.094818	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Na"	22.989218
"323108"	433.103847	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+H+Na"	23.996494
"714436"	643.656647	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+H+Na"	23.996494
"1474091"	222.551047	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H+Na"	23.996494
"1063688"	148.703123333333	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2H+Na"	25.00377
"1269739"	454.139086	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+CH3OH+H"	33.033486
"387590"	881.174358	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+K"	38.963158
"752231"	1302.279958	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+K"	38.963158
"1554283"	460.068758	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+K"	38.963158
"312916"	441.090817	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+H+K"	39.970434
"701691"	651.643617	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+H+K"	39.970434
"1460824"	230.538017	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H+K"	39.970434
"247758"	884.245026	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+ACN+H"	42.033826
"1218281"	463.139426	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+ACN+H"	42.033826
"1199976"	232.073351	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+ACN+2H"	43.041102
"197222"	887.18236	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+2Na-H"	44.97116
"637877"	1308.28796	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+2Na-H"	44.97116
"1138103"	466.07676	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2Na-H"	44.97116
"177381"	444.094818	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+2Na"	45.978436
"620956"	654.647618	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+2Na"	45.978436
"1125559"	233.542018	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2Na"	45.978436
"1406894"	156.030437333333	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H+2Na"	46.985712
"1440840"	468.118346	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H+HCOOH"	47.012746
"235525"	449.12784	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+3H2O+2H"	56.04448
"1523715"	482.17039	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+IsoProp+H"	61.06479
"423930"	452.081788	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+Na+K"	61.952376
"785122"	662.634588	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+Na+K"	61.952376
"1681157"	241.528988	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Na+K"	61.952376
"263954"	906.226968	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+ACN+Na"	64.015768
"1240435"	485.121368	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+ACN+Na"	64.015768
"1728105"	485.144893	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+NH4+HCOOH"	64.039293
"1193583"	163.357751333333	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+3Na"	68.967654
"1665418"	490.100288	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Na+HCOOH"	68.994688
"172156"	919.13024	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+2K-H"	76.91904
"609036"	1340.23584	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+2K-H"	76.91904
"1099516"	498.02464	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2K-H"	76.91904
"153647"	460.068758	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"2M+2K"	77.926316
"589927"	670.621558	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"3M+2K"	77.926316
"1076624"	249.515958	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2K"	77.926316
"1105460"	500.039192	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2K+H"	78.933592
"1342944"	500.126807	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+DMSO+H"	79.021207
"1012570"	504.165976	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2ACN+H"	83.060376
"1528507"	505.159608	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+IsoProp+Na+H"	84.054008
"993863"	252.586626	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+2ACN+2H"	84.067652
"1601858"	506.074228	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+K+HCOOH"	84.968628
"1426791"	536.105738	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+H+CF3COOH"	115.000138
"1161695"	273.099901	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+3ACN+2H"	125.094202
"1712336"	553.132285	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+NH4+CF3COOH"	132.026685
"1637174"	558.08768	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+Na+CF3COOH"	136.98208
"1584858"	574.06162	"C18439"	"Cyclosulfamuron"	"C17H19N5O6S"	"421.1056"	"M+K+CF3COOH"	152.95602
"802829"	398.0896	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M"	0
"978913"	379.07121	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-H2O-H"	-19.01839
"66064"	264.385790666667	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M-3H"	-3.021828
"506717"	397.082324	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M-3H"	-3.021828
"884519"	131.689257333333	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-3H"	-3.021828
"9656"	397.082324	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M-2H"	-2.014552
"447028"	596.127124	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M-2H"	-2.014552
"822644"	198.037524	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-2H"	-2.014552
"85915"	795.171924	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M-H"	-1.007276
"526569"	1193.261524	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M-H"	-1.007276
"900004"	397.082324	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-H"	-1.007276
"55470"	812.198471	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M-2H+NH4"	16.019271
"496125"	1210.288071	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M-2H+NH4"	16.019271
"873927"	414.108871	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-2H+NH4"	16.019271
"37450"	817.153866	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M-2H+Na"	20.974666
"474828"	1215.243466	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M-2H+Na"	20.974666
"860290"	419.064266	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-2H+Na"	20.974666
"1629824"	419.064266	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Na-2H"	20.974666
"108541"	415.070663	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M-H+Cl"	33.962126
"548465"	614.115463	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M-H+Cl"	33.962126
"941249"	216.025863	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-H+Cl"	33.962126
"280781"	831.148602	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+Cl"	34.969402
"671498"	1229.238202	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+Cl"	34.969402
"1279526"	433.059002	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Cl"	34.969402
"20990"	833.127806	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M-2H+K"	36.948606
"467114"	1231.217406	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M-2H+K"	36.948606
"841635"	435.038206	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-2H+K"	36.948606
"1561842"	435.038206	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+K-2H"	36.948606
"944621"	443.087794	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-H+HCOOH"	44.998194
"366847"	841.177401	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+HCOOH-H"	44.998201
"349636"	855.193051	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+Hac-H"	59.013851
"1495547"	457.103451	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Hac-H"	59.013851
"961268"	465.069751	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-H+NaCOOH"	66.980151
"113460"	433.059002	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+2Cl"	69.938804
"554481"	632.103802	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+2Cl"	69.938804
"1029842"	234.014202	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2Cl"	69.938804
"1250516"	477.008485	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Br"	78.918885
"1310776"	479.064472	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Cl+HCOOH"	80.974872
"1324626"	501.046429	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Cl+NaCOOH"	102.956829
"912403"	511.075186	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M-H+CF3COOH"	112.985586
"1288867"	547.051864	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Cl+CF3COOH"	148.962264
"1369821"	363.076924	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H-2H2O"	-35.012676
"1388418"	381.0869	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H-H2O"	-17.0027
"290295"	797.186476	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+H"	1.007276
"687091"	1195.276076	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+H"	1.007276
"1365267"	399.096876	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H"	1.007276
"136331"	399.096876	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+2H"	2.014552
"576260"	598.141676	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+2H"	2.014552
"1047610"	200.052076	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2H"	2.014552
"214052"	266.400342666667	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+3H"	3.021828
"647779"	399.096876	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+3H"	3.021828
"1168092"	133.703809333333	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+3H"	3.021828
"429178"	814.213023	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+NH4"	18.033823
"790169"	1212.302623	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+NH4"	18.033823
"1688692"	416.123423	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+NH4"	18.033823
"333689"	407.6101495	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+H+NH4"	19.041099
"735958"	606.6549495	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+H+NH4"	19.041099
"1489781"	208.5653495	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H+NH4"	19.041099
"402992"	819.168418	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+Na"	22.989218
"763990"	1217.258018	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+Na"	22.989218
"1613181"	421.078818	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Na"	22.989218
"323216"	410.087847	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+H+Na"	23.996494
"717825"	609.132647	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+H+Na"	23.996494
"1475779"	211.043047	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H+Na"	23.996494
"1065984"	141.031123333333	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2H+Na"	25.00377
"1270942"	431.123086	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+CH3OH+H"	33.033486
"390250"	835.142358	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+K"	38.963158
"752341"	1233.231958	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+K"	38.963158
"1553664"	437.052758	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+K"	38.963158
"311932"	418.074817	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+H+K"	39.970434
"701070"	617.119617	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+H+K"	39.970434
"1459632"	219.030017	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H+K"	39.970434
"248960"	838.213026	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+ACN+H"	42.033826
"1216202"	440.123426	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+ACN+H"	42.033826
"1197899"	220.565351	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+ACN+2H"	43.041102
"197331"	841.15036	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+2Na-H"	44.97116
"636894"	1239.23996	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+2Na-H"	44.97116
"1138213"	443.06076	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2Na-H"	44.97116
"174941"	421.078818	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+2Na"	45.978436
"621066"	620.123618	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+2Na"	45.978436
"1125669"	222.034018	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2Na"	45.978436
"1405911"	148.358437333333	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H+2Na"	46.985712
"1440949"	445.102346	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H+HCOOH"	47.012746
"229918"	426.11184	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+3H2O+2H"	56.04448
"1522725"	459.15439	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+IsoProp+H"	61.06479
"422772"	429.065788	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+Na+K"	61.952376
"783039"	628.110588	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+Na+K"	61.952376
"1678640"	230.020988	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Na+K"	61.952376
"262605"	860.194968	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+ACN+Na"	64.015768
"1239569"	462.105368	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+ACN+Na"	64.015768
"1725293"	462.128893	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+NH4+HCOOH"	64.039293
"1191742"	155.685751333333	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+3Na"	68.967654
"1665284"	467.084288	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Na+HCOOH"	68.994688
"172389"	873.09824	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+2K-H"	76.91904
"610240"	1271.18784	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+2K-H"	76.91904
"1095848"	475.00864	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2K-H"	76.91904
"153757"	437.052758	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"2M+2K"	77.926316
"587851"	636.097558	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"3M+2K"	77.926316
"1074548"	238.007958	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2K"	77.926316
"1105570"	477.023192	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2K+H"	78.933592
"1346334"	477.110807	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+DMSO+H"	79.021207
"1015958"	481.149976	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2ACN+H"	83.060376
"1529709"	482.143608	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+IsoProp+Na+H"	84.054008
"993973"	241.078626	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+2ACN+2H"	84.067652
"1588113"	483.058228	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+K+HCOOH"	84.968628
"1428354"	513.089738	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+H+CF3COOH"	115.000138
"1161441"	261.591901	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+3ACN+2H"	125.094202
"1703819"	530.116285	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+NH4+CF3COOH"	132.026685
"1637284"	535.07168	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+Na+CF3COOH"	136.98208
"1584968"	551.04562	"C18440"	"Ethoxysulfuron"	"C15H18N4O7S"	"398.0896"	"M+K+CF3COOH"	152.95602
"805492"	407.0511	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M"	0
"977931"	388.03271	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-H2O-H"	-19.01839
"65080"	270.360124	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M-3H"	-3.021828
"506827"	406.043824	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M-3H"	-3.021828
"885722"	134.676424	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-3H"	-3.021828
"6486"	406.043824	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M-2H"	-2.014552
"440942"	609.569374	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M-2H"	-2.014552
"820931"	202.518274	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-2H"	-2.014552
"80556"	813.094924	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M-H"	-1.007276
"520479"	1220.146024	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M-H"	-1.007276
"906673"	406.043824	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-H"	-1.007276
"56672"	830.121471	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M-2H+NH4"	16.019271
"496231"	1237.172571	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M-2H+NH4"	16.019271
"871846"	423.070371	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-2H+NH4"	16.019271
"39755"	835.076866	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M-2H+Na"	20.974666
"480411"	1242.127966	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M-2H+Na"	20.974666
"860401"	428.025766	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-2H+Na"	20.974666
"1631026"	428.025766	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Na-2H"	20.974666
"108650"	424.032163	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M-H+Cl"	33.962126
"548209"	627.557713	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M-H+Cl"	33.962126
"938443"	220.506613	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-H+Cl"	33.962126
"279187"	849.071602	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+Cl"	34.969402
"667234"	1256.122702	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+Cl"	34.969402
"1277453"	442.020502	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Cl"	34.969402
"23290"	851.050806	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M-2H+K"	36.948606
"467224"	1258.101906	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M-2H+K"	36.948606
"841745"	443.999706	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-2H+K"	36.948606
"1561952"	443.999706	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+K-2H"	36.948606
"947647"	452.049294	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-H+HCOOH"	44.998194
"362212"	859.100401	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+HCOOH-H"	44.998201
"350110"	873.116051	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+Hac-H"	59.013851
"1494930"	466.064951	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Hac-H"	59.013851
"961017"	474.031251	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-H+NaCOOH"	66.980151
"115030"	442.020502	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+2Cl"	69.938804
"554955"	645.546052	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+2Cl"	69.938804
"1027035"	238.494952	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2Cl"	69.938804
"1245155"	485.969985	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Br"	78.918885
"1305417"	488.025972	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Cl+HCOOH"	80.974872
"1321452"	510.007929	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Cl+NaCOOH"	102.956829
"913967"	520.036686	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M-H+CF3COOH"	112.985586
"1290311"	556.013364	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Cl+CF3COOH"	148.962264
"1372126"	372.038424	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H-2H2O"	-35.012676
"1396555"	390.0484	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H-H2O"	-17.0027
"295510"	815.109476	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+H"	1.007276
"686473"	1222.160576	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+H"	1.007276
"1363916"	408.058376	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H"	1.007276
"137170"	408.058376	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+2H"	2.014552
"569438"	611.583926	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+2H"	2.014552
"1039330"	204.532826	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2H"	2.014552
"213432"	272.374676	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+3H"	3.021828
"645701"	408.058376	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+3H"	3.021828
"1167109"	136.690976	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+3H"	3.021828
"427100"	832.136023	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+NH4"	18.033823
"788091"	1239.187123	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+NH4"	18.033823
"1686610"	425.084923	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+NH4"	18.033823
"341458"	416.5716495	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+H+NH4"	19.041099
"732787"	620.0971995	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+H+NH4"	19.041099
"1488795"	213.0460995	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H+NH4"	19.041099
"402006"	837.091418	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+Na"	22.989218
"765189"	1244.142518	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+Na"	22.989218
"1608913"	430.040318	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Na"	22.989218
"323325"	419.049347	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+H+Na"	23.996494
"720120"	622.574897	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+H+Na"	23.996494
"1476010"	215.523797	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H+Na"	23.996494
"1066094"	144.01829	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2H+Na"	25.00377
"1267772"	440.084586	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+CH3OH+H"	33.033486
"389628"	853.065358	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+K"	38.963158
"752812"	1260.116458	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+K"	38.963158
"1552677"	446.014258	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+K"	38.963158
"304383"	427.036317	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+H+K"	39.970434
"698994"	630.561867	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+H+K"	39.970434
"1458281"	223.510767	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H+K"	39.970434
"249070"	856.136026	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+ACN+H"	42.033826
"1221779"	449.084926	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+ACN+H"	42.033826
"1208822"	225.046101	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+ACN+2H"	43.041102
"198535"	859.07336	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+2Na-H"	44.97116
"637001"	1266.12446	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+2Na-H"	44.97116
"1142695"	452.02226	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2Na-H"	44.97116
"181616"	430.040318	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+2Na"	45.978436
"618988"	633.565868	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+2Na"	45.978436
"1122496"	226.514768	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2Na"	45.978436
"1411131"	151.345604	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H+2Na"	46.985712
"1443493"	454.063846	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H+HCOOH"	47.012746
"232215"	435.07334	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+3H2O+2H"	56.04448
"1521375"	468.11589	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+IsoProp+H"	61.06479
"421060"	438.027288	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+Na+K"	61.952376
"783148"	641.552838	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+Na+K"	61.952376
"1676196"	234.501738	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Na+K"	61.952376
"264540"	878.117968	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+ACN+Na"	64.015768
"1238344"	471.066868	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+ACN+Na"	64.015768
"1726988"	471.090393	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+NH4+HCOOH"	64.039293
"1187477"	158.672918	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+3Na"	68.967654
"1664178"	476.045788	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Na+HCOOH"	68.994688
"171763"	891.02124	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+2K-H"	76.91904
"609259"	1298.07234	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+2K-H"	76.91904
"1098148"	483.97014	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2K-H"	76.91904
"153867"	446.014258	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"2M+2K"	77.926316
"593426"	649.539808	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"3M+2K"	77.926316
"1077938"	242.488708	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2K"	77.926316
"1106778"	485.984692	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2K+H"	78.933592
"1342072"	486.072307	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+DMSO+H"	79.021207
"1010602"	490.111476	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2ACN+H"	83.060376
"1527632"	491.105108	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+IsoProp+Na+H"	84.054008
"992990"	245.559376	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+2ACN+2H"	84.067652
"1587491"	492.019728	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+K+HCOOH"	84.968628
"1428463"	522.051238	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+H+CF3COOH"	115.000138
"1151098"	266.072651	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+3ACN+2H"	125.094202
"1698097"	539.077785	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+NH4+CF3COOH"	132.026685
"1637396"	544.03318	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+Na+CF3COOH"	136.98208
"1585078"	560.00712	"C18441"	"Flazasulfuron"	"C13H12F3N5O5S"	"407.0511"	"M+K+CF3COOH"	152.95602
"806695"	434.0411	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M"	0
"978042"	415.02271	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-H2O-H"	-19.01839
"70659"	288.353457333333	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M-3H"	-3.021828
"509125"	433.033824	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M-3H"	-3.021828
"885834"	143.673090666667	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-3H"	-3.021828
"5503"	433.033824	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M-2H"	-2.014552
"448343"	650.054374	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M-2H"	-2.014552
"820678"	216.013274	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-2H"	-2.014552
"81396"	867.074924	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M-H"	-1.007276
"520715"	1301.116024	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M-H"	-1.007276
"899123"	433.033824	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-H"	-1.007276
"51313"	884.101471	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M-2H+NH4"	16.019271
"494155"	1318.142571	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M-2H+NH4"	16.019271
"868311"	450.060371	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-2H+NH4"	16.019271
"37678"	889.056866	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M-2H+Na"	20.974666
"483801"	1323.097966	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M-2H+Na"	20.974666
"862333"	455.015766	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-2H+Na"	20.974666
"1631872"	455.015766	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Na-2H"	20.974666
"109005"	451.022163	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M-H+Cl"	33.962126
"546136"	668.042713	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M-H+Cl"	33.962126
"940014"	234.001613	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-H+Cl"	33.962126
"278206"	903.051602	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+Cl"	34.969402
"666252"	1337.092702	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+Cl"	34.969402
"1277563"	469.010502	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Cl"	34.969402
"29961"	905.030806	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M-2H+K"	36.948606
"467335"	1339.071906	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M-2H+K"	36.948606
"838576"	470.989706	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-2H+K"	36.948606
"1563155"	470.989706	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+K-2H"	36.948606
"949945"	479.039294	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-H+HCOOH"	44.998194
"370347"	913.080401	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+HCOOH-H"	44.998201
"349854"	927.096051	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+Hac-H"	59.013851
"1496501"	493.054951	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Hac-H"	59.013851
"971702"	501.021251	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-H+NaCOOH"	66.980151
"120609"	469.010502	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+2Cl"	69.938804
"561263"	686.031052	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+2Cl"	69.938804
"1033343"	251.989952	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2Cl"	69.938804
"1248912"	512.959985	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Br"	78.918885
"1311360"	515.015972	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Cl+HCOOH"	80.974872
"1321198"	536.997929	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Cl+NaCOOH"	102.956829
"912499"	547.026686	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M-H+CF3COOH"	112.985586
"1291881"	583.003364	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Cl+CF3COOH"	148.962264
"1372236"	399.028424	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H-2H2O"	-35.012676
"1395206"	417.0384	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H-H2O"	-17.0027
"293433"	869.089476	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+H"	1.007276
"690597"	1303.130576	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+H"	1.007276
"1362933"	435.048376	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H"	1.007276
"134729"	435.048376	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+2H"	2.014552
"570644"	652.068926	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+2H"	2.014552
"1048924"	218.027826	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2H"	2.014552
"211720"	290.368009333333	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+3H"	3.021828
"649093"	435.048376	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+3H"	3.021828
"1165393"	145.687642666667	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+3H"	3.021828
"429393"	886.116023	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+NH4"	18.033823
"790394"	1320.157123	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+NH4"	18.033823
"1688915"	452.074923	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+NH4"	18.033823
"337194"	443.5616495	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+H+NH4"	19.041099
"729616"	660.5821995	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+H+NH4"	19.041099
"1483436"	226.5410995	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H+NH4"	19.041099
"398832"	891.071418	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+Na"	22.989218
"757638"	1325.112518	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+Na"	22.989218
"1606834"	457.030318	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Na"	22.989218
"319055"	446.039347	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+H+Na"	23.996494
"711481"	663.059897	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+H+Na"	23.996494
"1474052"	229.018797	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H+Na"	23.996494
"1062922"	153.014956666667	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2H+Na"	25.00377
"1270069"	467.074586	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+CH3OH+H"	33.033486
"388642"	907.045358	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+K"	38.963158
"750731"	1341.086458	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+K"	38.963158
"1549505"	473.004258	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+K"	38.963158
"304497"	454.026317	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+H+K"	39.970434
"694731"	671.046867	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+H+K"	39.970434
"1459487"	237.005767	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H+K"	39.970434
"240434"	910.116026	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+ACN+H"	42.033826
"1213144"	476.074926	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+ACN+H"	42.033826
"1198120"	238.541101	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+ACN+2H"	43.041102
"193178"	913.05336	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+2Na-H"	44.97116
"640396"	1347.09446	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+2Na-H"	44.97116
"1136246"	479.01226	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2Na-H"	44.97116
"180633"	457.030318	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+2Na"	45.978436
"624210"	674.050868	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+2Na"	45.978436
"1130275"	240.009768	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2Na"	45.978436
"1413924"	160.342270666667	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H+2Na"	46.985712
"1444090"	481.053846	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H+HCOOH"	47.012746
"232325"	462.06334	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+3H2O+2H"	56.04448
"1522578"	495.10589	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+IsoProp+H"	61.06479
"423354"	465.017288	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+Na+K"	61.952376
"783986"	682.037838	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+Na+K"	61.952376
"1679954"	247.996738	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Na+K"	61.952376
"266106"	932.097968	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+ACN+Na"	64.015768
"1240274"	498.056868	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+ACN+Na"	64.015768
"1728395"	498.080393	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+NH4+HCOOH"	64.039293
"1190868"	167.669584666667	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+3Na"	68.967654
"1661852"	503.035788	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Na+HCOOH"	68.994688
"172361"	945.00124	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+2K-H"	76.91904
"609369"	1379.04234	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+2K-H"	76.91904
"1098254"	510.96014	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2K-H"	76.91904
"144137"	473.004258	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"2M+2K"	77.926316
"586979"	690.024808	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"3M+2K"	77.926316
"1082428"	255.983708	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2K"	77.926316
"1113451"	512.974692	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2K+H"	78.933592
"1341088"	513.062307	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+DMSO+H"	79.021207
"1009618"	517.101476	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2ACN+H"	83.060376
"1529934"	518.095108	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+IsoProp+Na+H"	84.054008
"996382"	259.054376	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+2ACN+2H"	84.067652
"1597447"	519.009728	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+K+HCOOH"	84.968628
"1427482"	549.041238	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+H+CF3COOH"	115.000138
"1150114"	279.567651	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+3ACN+2H"	125.094202
"1699666"	566.067785	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+NH4+CF3COOH"	132.026685
"1638599"	571.02318	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+Na+CF3COOH"	136.98208
"1585188"	586.99712	"C18442"	"Halosulfuron-methyl"	"C13H15ClN6O7S"	"434.0411"	"M+K+CF3COOH"	152.95602
"805712"	412.0357	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M"	0
"980339"	393.01731	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-H2O-H"	-19.01839
"69676"	273.683190666667	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M-3H"	-3.021828
"511422"	411.028424	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M-3H"	-3.021828
"883758"	136.337957333333	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-3H"	-3.021828
"5613"	411.028424	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M-2H"	-2.014552
"442987"	617.046274	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M-2H"	-2.014552
"820788"	205.010574	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-2H"	-2.014552
"79320"	823.064124	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M-H"	-1.007276
"519369"	1235.099824	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M-H"	-1.007276
"897412"	411.028424	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-H"	-1.007276
"51423"	840.090671	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M-2H+NH4"	16.019271
"493172"	1252.126371	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M-2H+NH4"	16.019271
"866600"	428.054971	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-2H+NH4"	16.019271
"38881"	845.046066	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M-2H+Na"	20.974666
"483911"	1257.081766	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M-2H+Na"	20.974666
"862443"	433.010366	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-2H+Na"	20.974666
"1631981"	433.010366	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Na-2H"	20.974666
"107414"	429.016763	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M-H+Cl"	33.962126
"545882"	635.034613	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M-H+Cl"	33.962126
"940124"	222.998913	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-H+Cl"	33.962126
"279775"	859.040802	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+Cl"	34.969402
"669642"	1271.076502	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+Cl"	34.969402
"1280953"	447.005102	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Cl"	34.969402
"28978"	861.020006	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M-2H+K"	36.948606
"466352"	1273.055706	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M-2H+K"	36.948606
"841966"	448.984306	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-2H+K"	36.948606
"1562172"	448.984306	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+K-2H"	36.948606
"950055"	457.033894	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-H+HCOOH"	44.998194
"370457"	869.069601	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+HCOOH-H"	44.998201
"348872"	883.085251	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+Hac-H"	59.013851
"1495882"	471.049551	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Hac-H"	59.013851
"967437"	479.015851	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-H+NaCOOH"	66.980151
"115249"	447.005102	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+2Cl"	69.938804
"553353"	653.022952	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+2Cl"	69.938804
"1024338"	240.987252	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2Cl"	69.938804
"1244281"	490.954585	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Br"	78.918885
"1307094"	493.010572	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Cl+HCOOH"	80.974872
"1319929"	514.992529	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Cl+NaCOOH"	102.956829
"913096"	525.021286	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M-H+CF3COOH"	112.985586
"1289925"	560.997964	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Cl+CF3COOH"	148.962264
"1370523"	377.023024	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H-2H2O"	-35.012676
"1395316"	395.033	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H-H2O"	-17.0027
"294272"	825.078676	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+H"	1.007276
"691338"	1237.114376	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+H"	1.007276
"1360127"	413.042976	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H"	1.007276
"134839"	413.042976	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+2H"	2.014552
"569661"	619.060826	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+2H"	2.014552
"1048304"	207.025126	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2H"	2.014552
"210737"	275.697742666667	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+3H"	3.021828
"650296"	413.042976	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+3H"	3.021828
"1167325"	138.352509333333	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+3H"	3.021828
"428410"	842.105223	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+NH4"	18.033823
"789410"	1254.140923	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+NH4"	18.033823
"1690117"	430.069523	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+NH4"	18.033823
"338396"	421.5562495	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+H+NH4"	19.041099
"731910"	627.5740995	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+H+NH4"	19.041099
"1482449"	215.5383995	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H+NH4"	19.041099
"396753"	847.060618	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+Na"	22.989218
"754587"	1259.096318	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+Na"	22.989218
"1603781"	435.024918	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Na"	22.989218
"316975"	424.033947	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+H+Na"	23.996494
"707696"	630.051797	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+H+Na"	23.996494
"1464318"	218.016097	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H+Na"	23.996494
"1055010"	145.679823333333	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2H+Na"	25.00377
"1269084"	445.069186	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+CH3OH+H"	33.033486
"387659"	863.034558	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+K"	38.963158
"747560"	1275.070258	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+K"	38.963158
"1549615"	450.998858	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+K"	38.963158
"308977"	432.020917	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+H+K"	39.970434
"694840"	638.038767	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+H+K"	39.970434
"1453034"	226.003067	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H+K"	39.970434
"243823"	866.105226	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+ACN+H"	42.033826
"1215440"	454.069526	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+ACN+H"	42.033826
"1200416"	227.538401	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+ACN+2H"	43.041102
"191102"	869.04256	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+2Na-H"	44.97116
"637224"	1281.07826	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+2Na-H"	44.97116
"1137449"	457.00686	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2Na-H"	44.97116
"174666"	435.024918	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+2Na"	45.978436
"627232"	641.042768	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+2Na"	45.978436
"1131314"	229.007068	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2Na"	45.978436
"1412810"	153.007137333333	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H+2Na"	46.985712
"1442736"	459.048446	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H+HCOOH"	47.012746
"233891"	440.05794	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+3H2O+2H"	56.04448
"1523048"	473.10049	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+IsoProp+H"	61.06479
"420182"	443.011888	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+Na+K"	61.952376
"783365"	649.029738	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+Na+K"	61.952376
"1678239"	236.994038	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Na+K"	61.952376
"264756"	888.087168	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+ACN+Na"	64.015768
"1241031"	476.051468	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+ACN+Na"	64.015768
"1728054"	476.074993	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+NH4+HCOOH"	64.039293
"1190978"	160.334451333333	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+3Na"	68.967654
"1665246"	481.030388	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Na+HCOOH"	68.994688
"168825"	900.99044	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+2K-H"	76.91904
"607291"	1313.02614	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+2K-H"	76.91904
"1098364"	488.95474	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2K-H"	76.91904
"146435"	450.998858	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"2M+2K"	77.926316
"587089"	657.016708	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"3M+2K"	77.926316
"1080350"	244.981008	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2K"	77.926316
"1110281"	490.969292	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2K+H"	78.933592
"1340105"	491.056907	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+DMSO+H"	79.021207
"1009728"	495.096076	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2ACN+H"	83.060376
"1527857"	496.089708	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+IsoProp+Na+H"	84.054008
"997585"	248.051676	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+2ACN+2H"	84.067652
"1588929"	497.004328	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+K+HCOOH"	84.968628
"1418842"	527.035838	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+H+CF3COOH"	115.000138
"1148157"	268.564951	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+3ACN+2H"	125.094202
"1699776"	544.062385	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+NH4+CF3COOH"	132.026685
"1639802"	549.01778	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+Na+CF3COOH"	136.98208
"1585298"	564.99172	"C18443"	"Imazosulfuron"	"C14H13ClN6O5S"	"412.0357"	"M+K+CF3COOH"	152.95602
"803635"	414.0958	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M"	0
"980449"	395.07741	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-H2O-H"	-19.01839
"68693"	275.056590666667	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M-3H"	-3.021828
"508252"	413.088524	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M-3H"	-3.021828
"886055"	137.024657333333	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-3H"	-3.021828
"5723"	413.088524	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M-2H"	-2.014552
"443097"	620.136424	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M-2H"	-2.014552
"825272"	206.040624	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-2H"	-2.014552
"81982"	827.184324	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M-H"	-1.007276
"521545"	1241.280124	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M-H"	-1.007276
"896913"	413.088524	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-H"	-1.007276
"49347"	844.210871	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M-2H+NH4"	16.019271
"492189"	1258.306671	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M-2H+NH4"	16.019271
"868897"	430.115071	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-2H+NH4"	16.019271
"42271"	849.166266	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M-2H+Na"	20.974666
"486209"	1263.262066	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M-2H+Na"	20.974666
"862553"	435.070466	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-2H+Na"	20.974666
"1629540"	435.070466	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Na-2H"	20.974666
"107160"	431.076863	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M-H+Cl"	33.962126
"546722"	638.124763	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M-H+Cl"	33.962126
"939872"	224.028963	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-H+Cl"	33.962126
"279521"	863.161002	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+Cl"	34.969402
"673032"	1277.256802	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+Cl"	34.969402
"1281063"	449.065202	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Cl"	34.969402
"27995"	865.140206	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M-2H+K"	36.948606
"466462"	1279.236006	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M-2H+K"	36.948606
"842076"	451.044406	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-2H+K"	36.948606
"1561189"	451.044406	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+K-2H"	36.948606
"951259"	459.093994	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-H+HCOOH"	44.998194
"370568"	873.189801	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+HCOOH-H"	44.998201
"350076"	887.205451	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+Hac-H"	59.013851
"1495628"	473.109651	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Hac-H"	59.013851
"966454"	481.075951	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-H+NaCOOH"	66.980151
"115722"	449.065202	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+2Cl"	69.938804
"553099"	656.113102	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+2Cl"	69.938804
"1025542"	242.017302	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2Cl"	69.938804
"1244756"	493.014685	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Br"	78.918885
"1306476"	495.070672	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Cl+HCOOH"	80.974872
"1323607"	517.052629	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Cl+NaCOOH"	102.956829
"912478"	527.081386	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M-H+CF3COOH"	112.985586
"1289551"	563.058064	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Cl+CF3COOH"	148.962264
"1370269"	379.083124	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H-2H2O"	-35.012676
"1395062"	397.0931	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H-H2O"	-17.0027
"293653"	829.198876	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+H"	1.007276
"691063"	1243.294676	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+H"	1.007276
"1360601"	415.103076	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H"	1.007276
"135313"	415.103076	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+2H"	2.014552
"570135"	622.150976	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+2H"	2.014552
"1049143"	208.055176	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2H"	2.014552
"209754"	277.071142666667	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+3H"	3.021828
"648220"	415.103076	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+3H"	3.021828
"1166342"	139.039209333333	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+3H"	3.021828
"429613"	846.225423	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+NH4"	18.033823
"787334"	1260.321223	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+NH4"	18.033823
"1690228"	432.129623	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+NH4"	18.033823
"337413"	423.6163495	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+H+NH4"	19.041099
"729833"	630.6642495	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+H+NH4"	19.041099
"1482558"	216.5684495	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H+NH4"	19.041099
"395770"	851.180818	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+Na"	22.989218
"754694"	1265.276618	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+Na"	22.989218
"1604863"	437.085018	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Na"	22.989218
"315992"	426.094047	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+H+Na"	23.996494
"707683"	633.141947	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+H+Na"	23.996494
"1467704"	219.046147	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H+Na"	23.996494
"1058763"	146.366523333333	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2H+Na"	25.00377
"1264819"	447.129286	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+CH3OH+H"	33.033486
"385582"	867.154758	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+K"	38.963158
"747670"	1281.250558	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+K"	38.963158
"1548632"	453.058958	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+K"	38.963158
"306900"	434.081017	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+H+K"	39.970434
"696044"	641.128917	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+H+K"	39.970434
"1453144"	227.033117	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H+K"	39.970434
"243933"	870.225426	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+ACN+H"	42.033826
"1218830"	456.129626	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+ACN+H"	42.033826
"1201619"	228.568451	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+ACN+2H"	43.041102
"195586"	873.16276	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+2Na-H"	44.97116
"636241"	1287.25856	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+2Na-H"	44.97116
"1137559"	459.06696	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2Na-H"	44.97116
"173926"	437.085018	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+2Na"	45.978436
"623332"	644.132918	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+2Na"	45.978436
"1130613"	230.037118	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2Na"	45.978436
"1413651"	153.693837333333	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H+2Na"	46.985712
"1443576"	461.108546	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H+HCOOH"	47.012746
"233637"	442.11804	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+3H2O+2H"	56.04448
"1522064"	475.16059	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+IsoProp+H"	61.06479
"421384"	445.071988	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+Na+K"	61.952376
"783840"	652.119888	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+Na+K"	61.952376
"1678348"	238.024088	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Na+K"	61.952376
"264138"	892.207368	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+ACN+Na"	64.015768
"1237942"	478.111568	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+ACN+Na"	64.015768
"1727196"	478.135093	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+NH4+HCOOH"	64.039293
"1192181"	161.021151333333	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+3Na"	68.967654
"1664626"	483.090488	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Na+HCOOH"	68.994688
"171123"	905.11064	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+2K-H"	76.91904
"607401"	1319.20644	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+2K-H"	76.91904
"1097259"	491.01484	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2K-H"	76.91904
"149825"	453.058958	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"2M+2K"	77.926316
"590479"	660.106858	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"3M+2K"	77.926316
"1078273"	246.011058	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2K"	77.926316
"1110391"	493.029392	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2K+H"	78.933592
"1338028"	493.117007	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+DMSO+H"	79.021207
"1007285"	497.156176	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2ACN+H"	83.060376
"1525778"	498.149808	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+IsoProp+Na+H"	84.054008
"991133"	249.081726	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+2ACN+2H"	84.067652
"1589275"	499.064428	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+K+HCOOH"	84.968628
"1415672"	529.095938	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+H+CF3COOH"	115.000138
"1147127"	269.595001	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+3ACN+2H"	125.094202
"1698063"	546.122485	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+NH4+CF3COOH"	132.026685
"1637725"	551.07788	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+Na+CF3COOH"	136.98208
"1585408"	567.05182	"C18444"	"Pyrazosulfuron-ethyl"	"C14H18N6O7S"	"414.0958"	"M+K+CF3COOH"	152.95602
"801713"	162.8995	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M"	0
"975092"	143.88111	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-H2O-H"	-19.01839
"67709"	107.592390666667	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M-3H"	-3.021828
"506175"	161.892224	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M-3H"	-3.021828
"885071"	53.2925573333333	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-3H"	-3.021828
"8020"	161.892224	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M-2H"	-2.014552
"443207"	243.341974	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M-2H"	-2.014552
"825382"	80.442474	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-2H"	-2.014552
"80999"	324.791724	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M-H"	-1.007276
"520562"	487.691224	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M-H"	-1.007276
"898360"	161.892224	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-H"	-1.007276
"49457"	341.818271	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M-2H+NH4"	16.019271
"489382"	504.717771	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M-2H+NH4"	16.019271
"869007"	178.918771	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-2H+NH4"	16.019271
"35821"	346.773666	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M-2H+Na"	20.974666
"483403"	509.673166	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M-2H+Na"	20.974666
"859747"	183.874166	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-2H+Na"	20.974666
"1631107"	183.874166	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Na-2H"	20.974666
"106906"	179.880563	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M-H+Cl"	33.962126
"546468"	261.330313	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M-H+Cl"	33.962126
"938887"	98.430813	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-H+Cl"	33.962126
"278174"	360.768402	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+Cl"	34.969402
"668769"	523.667902	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+Cl"	34.969402
"1280080"	197.868902	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Cl"	34.969402
"27011"	362.747606	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M-2H+K"	36.948606
"463292"	525.647106	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M-2H+K"	36.948606
"836719"	199.848106	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-2H+K"	36.948606
"1556802"	199.848106	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+K-2H"	36.948606
"945902"	207.897694	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-H+HCOOH"	44.998194
"362659"	370.797201	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+HCOOH-H"	44.998201
"349092"	384.812851	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+Hac-H"	59.013851
"1493144"	221.913351	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Hac-H"	59.013851
"962189"	229.879651	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-H+NaCOOH"	66.980151
"110161"	197.868902	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+2Cl"	69.938804
"550528"	279.318652	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+2Cl"	69.938804
"1021514"	116.419152	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2Cl"	69.938804
"1243041"	241.818385	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Br"	78.918885
"1308407"	243.874372	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Cl+HCOOH"	80.974872
"1320800"	265.856329	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Cl+NaCOOH"	102.956829
"913316"	275.885086	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M-H+CF3COOH"	112.985586
"1291118"	311.861764	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Cl+CF3COOH"	148.962264
"1368797"	127.886824	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H-2H2O"	-35.012676
"1395536"	145.8968	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H-H2O"	-17.0027
"293399"	326.806276	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+H"	1.007276
"690929"	489.705776	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+H"	1.007276
"1358524"	163.906776	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H"	1.007276
"132507"	163.906776	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+2H"	2.014552
"569881"	245.356526	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+2H"	2.014552
"1049617"	82.457026	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2H"	2.014552
"209864"	109.606942666667	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+3H"	3.021828
"647237"	163.906776	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+3H"	3.021828
"1167545"	55.3071093333333	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+3H"	3.021828
"427536"	343.832823	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+NH4"	18.033823
"786471"	506.732323	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+NH4"	18.033823
"1685964"	180.933323	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+NH4"	18.033823
"333149"	172.4200495	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+H+NH4"	19.041099
"726662"	253.8697995	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+H+NH4"	19.041099
"1480480"	90.9702995	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H+NH4"	19.041099
"394786"	348.788218	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+Na"	22.989218
"756141"	511.687718	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+Na"	22.989218
"1603999"	185.888718	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Na"	22.989218
"316101"	174.897747	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+H+Na"	23.996494
"708157"	256.347497	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+H+Na"	23.996494
"1466720"	93.447997	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H+Na"	23.996494
"1057779"	62.6344233333333	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2H+Na"	25.00377
"1261647"	195.932986	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+CH3OH+H"	33.033486
"381318"	364.762158	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+K"	38.963158
"747780"	527.661658	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+K"	38.963158
"1549833"	201.862658	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+K"	38.963158
"305917"	182.884717	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+H+K"	39.970434
"695061"	264.334467	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+H+K"	39.970434
"1453254"	101.434967	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H+K"	39.970434
"245136"	367.832826	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+ACN+H"	42.033826
"1220033"	204.933326	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+ACN+H"	42.033826
"1206102"	102.970301	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+ACN+2H"	43.041102
"197881"	370.77016	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+2Na-H"	44.97116
"637442"	533.66966	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+2Na-H"	44.97116
"1142041"	207.87066	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2Na-H"	44.97116
"178773"	185.888718	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+2Na"	45.978436
"623806"	267.338468	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+2Na"	45.978436
"1128777"	104.438968	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2Na"	45.978436
"1411938"	69.9617373333333	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H+2Na"	46.985712
"1442957"	209.912246	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H+HCOOH"	47.012746
"232654"	190.92174	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+3H2O+2H"	56.04448
"1520351"	223.96429	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+IsoProp+H"	61.06479
"418579"	193.875688	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+Na+K"	61.952376
"781398"	275.325438	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+Na+K"	61.952376
"1675177"	112.425938	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Na+K"	61.952376
"261696"	389.814768	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+ACN+Na"	64.015768
"1238415"	226.915268	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+ACN+Na"	64.015768
"1726207"	226.938793	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+NH4+HCOOH"	64.039293
"1186824"	77.2890513333333	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+3Na"	68.967654
"1664369"	231.894188	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Na+HCOOH"	68.994688
"169044"	402.71804	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+2K-H"	76.91904
"611764"	565.61754	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+2K-H"	76.91904
"1092023"	239.81854	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2K-H"	76.91904
"149935"	201.862658	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"2M+2K"	77.926316
"590589"	283.312408	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"3M+2K"	77.926316
"1078383"	120.412908	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2K"	77.926316
"1110501"	241.833092	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2K+H"	78.933592
"1337043"	241.920707	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+DMSO+H"	79.021207
"1007759"	245.959876	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2ACN+H"	83.060376
"1526980"	246.953508	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+IsoProp+Na+H"	84.054008
"990756"	123.483576	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+2ACN+2H"	84.067652
"1588658"	247.868128	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+K+HCOOH"	84.968628
"1415782"	277.899638	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+H+CF3COOH"	115.000138
"1147282"	143.996851	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+3ACN+2H"	125.094202
"1698172"	294.926185	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+NH4+CF3COOH"	132.026685
"1636742"	299.88158	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+Na+CF3COOH"	136.98208
"1585518"	315.85552	"C18445"	"Chloropicrin"	"CCl3NO2"	"162.8995"	"M+K+CF3COOH"	152.95602
"804219"	469.6885	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M"	0
"975687"	450.67011	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-H2O-H"	-19.01839
"66726"	312.118390666667	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M-3H"	-3.021828
"506285"	468.681224	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M-3H"	-3.021828
"888461"	155.555557333333	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-3H"	-3.021828
"8130"	468.681224	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M-2H"	-2.014552
"445504"	703.525474	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M-2H"	-2.014552
"821118"	233.836974	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-2H"	-2.014552
"83295"	938.369724	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M-H"	-1.007276
"522129"	1408.058224	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M-H"	-1.007276
"899928"	468.681224	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-H"	-1.007276
"50660"	955.396271	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M-2H+NH4"	16.019271
"489249"	1425.084771	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M-2H+NH4"	16.019271
"868024"	485.707771	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-2H+NH4"	16.019271
"35931"	960.351666	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M-2H+Na"	20.974666
"483149"	1430.040166	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M-2H+Na"	20.974666
"859857"	490.663166	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-2H+Na"	20.974666
"1630487"	490.663166	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Na-2H"	20.974666
"107381"	486.669563	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M-H+Cl"	33.962126
"548036"	721.513813	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M-H+Cl"	33.962126
"938633"	251.825313	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-H+Cl"	33.962126
"279377"	974.346402	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+Cl"	34.969402
"668879"	1444.034902	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+Cl"	34.969402
"1280190"	504.657902	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Cl"	34.969402
"24934"	976.325606	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M-2H+K"	36.948606
"460486"	1446.014106	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M-2H+K"	36.948606
"836829"	506.637106	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-2H+K"	36.948606
"1558492"	506.637106	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+K-2H"	36.948606
"948199"	514.686694	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-H+HCOOH"	44.998194
"366415"	984.375201	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+HCOOH-H"	44.998201
"351390"	998.390851	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+Hac-H"	59.013851
"1496212"	528.702351	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Hac-H"	59.013851
"963392"	536.668651	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-H+NaCOOH"	66.980151
"110471"	504.657902	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+2Cl"	69.938804
"550519"	739.502152	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+2Cl"	69.938804
"1021544"	269.813652	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2Cl"	69.938804
"1243516"	548.607385	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Br"	78.918885
"1307788"	550.663372	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Cl+HCOOH"	80.974872
"1323096"	572.645329	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Cl+NaCOOH"	102.956829
"916706"	582.674086	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M-H+CF3COOH"	112.985586
"1291228"	618.650764	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Cl+CF3COOH"	148.962264
"1367198"	434.675824	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H-2H2O"	-35.012676
"1397714"	452.6858	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H-H2O"	-17.0027
"293509"	940.384276	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+H"	1.007276
"689577"	1410.072776	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+H"	1.007276
"1360456"	470.695776	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H"	1.007276
"129336"	470.695776	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+2H"	2.014552
"569991"	705.540026	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+2H"	2.014552
"1048634"	235.851526	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2H"	2.014552
"211067"	314.132942666667	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+3H"	3.021828
"649533"	470.695776	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+3H"	3.021828
"1163404"	157.570109333333	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+3H"	3.021828
"424852"	957.410823	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+NH4"	18.033823
"787553"	1427.099323	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+NH4"	18.033823
"1686074"	487.722323	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+NH4"	18.033823
"333623"	479.2090495	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+H+NH4"	19.041099
"726772"	714.0532995	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+H+NH4"	19.041099
"1480590"	244.3647995	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H+NH4"	19.041099
"394167"	962.366218	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+Na"	22.989218
"756616"	1432.054718	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+Na"	22.989218
"1605080"	492.677718	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Na"	22.989218
"318397"	481.686747	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+H+Na"	23.996494
"708023"	716.530997	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+H+Na"	23.996494
"1463180"	246.842497	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H+Na"	23.996494
"1054729"	164.897423333333	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2H+Na"	25.00377
"1258476"	502.721986	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+CH3OH+H"	33.033486
"382521"	978.340158	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+K"	38.963158
"745703"	1448.028658	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+K"	38.963158
"1545571"	508.651658	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+K"	38.963158
"306027"	489.673717	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+H+K"	39.970434
"699544"	724.517967	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+H+K"	39.970434
"1453364"	254.829467	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H+K"	39.970434
"244154"	981.410826	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+ACN+H"	42.033826
"1217957"	511.722326	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+ACN+H"	42.033826
"1202931"	256.364801	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+ACN+2H"	43.041102
"196896"	984.34816	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+2Na-H"	44.97116
"636459"	1454.03666	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+2Na-H"	44.97116
"1139964"	514.65966	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2Na-H"	44.97116
"176698"	492.677718	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+2Na"	45.978436
"622823"	727.521968	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+2Na"	45.978436
"1130467"	257.833468	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2Na"	45.978436
"1413264"	172.224737333333	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H+2Na"	46.985712
"1443068"	516.701246	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H+HCOOH"	47.012746
"231306"	497.71074	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+3H2O+2H"	56.04448
"1520461"	530.75329	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+IsoProp+H"	61.06479
"419053"	500.664688	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+Na+K"	61.952376
"782602"	735.508938	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+Na+K"	61.952376
"1679660"	265.820438	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Na+K"	61.952376
"262536"	1003.392768	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+ACN+Na"	64.015768
"1240711"	533.704268	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+ACN+Na"	64.015768
"1726317"	533.727793	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+NH4+HCOOH"	64.039293
"1190214"	179.552051333333	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+3Na"	68.967654
"1661928"	538.683188	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Na+HCOOH"	68.994688
"172072"	1016.29604	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+2K-H"	76.91904
"611996"	1485.98454	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+2K-H"	76.91904
"1095415"	546.60754	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2K-H"	76.91904
"155512"	508.651658	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"2M+2K"	77.926316
"593979"	743.495908	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"3M+2K"	77.926316
"1081773"	273.807408	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2K"	77.926316
"1110611"	548.622092	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2K+H"	78.933592
"1338246"	548.709707	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+DMSO+H"	79.021207
"1008234"	552.748876	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2ACN+H"	83.060376
"1526118"	553.742508	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+IsoProp+Na+H"	84.054008
"991353"	276.878076	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+2ACN+2H"	84.067652
"1588767"	554.657128	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+K+HCOOH"	84.968628
"1416985"	584.688638	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+H+CF3COOH"	115.000138
"1149460"	297.391351	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+3ACN+2H"	125.094202
"1697190"	601.715185	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+NH4+CF3COOH"	132.026685
"1636852"	606.67058	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+Na+CF3COOH"	136.98208
"1585628"	622.64452	"C18446"	"Dienochlor"	"C10Cl10"	"469.6885"	"M+K+CF3COOH"	152.95602
"802872"	93.9418	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M"	0
"976406"	74.92341	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-H2O-H"	-19.01839
"67930"	61.6205906666667	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M-3H"	-3.021828
"506395"	92.934524	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M-3H"	-3.021828
"886385"	30.3066573333333	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-3H"	-3.021828
"8240"	92.934524	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M-2H"	-2.014552
"448894"	139.905424	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M-2H"	-2.014552
"823416"	45.963624	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-2H"	-2.014552
"83405"	186.876324	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M-H"	-1.007276
"521875"	280.818124	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M-H"	-1.007276
"900402"	92.934524	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-H"	-1.007276
"49676"	203.902871	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M-2H+NH4"	16.019271
"489600"	297.844671	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M-2H+NH4"	16.019271
"866675"	109.961071	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-2H+NH4"	16.019271
"36041"	208.858266	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M-2H+Na"	20.974666
"483987"	302.800066	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M-2H+Na"	20.974666
"859967"	114.916466	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-2H+Na"	20.974666
"1630594"	114.916466	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Na-2H"	20.974666
"104937"	110.922863	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M-H+Cl"	33.962126
"542309"	157.893763	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M-H+Cl"	33.962126
"938013"	63.951963	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-H+Cl"	33.962126
"274381"	222.853002	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+Cl"	34.969402
"665709"	316.794802	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+Cl"	34.969402
"1278113"	128.911202	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Cl"	34.969402
"16659"	224.832206	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M-2H+K"	36.948606
"462417"	318.774006	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M-2H+K"	36.948606
"836938"	130.890406	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-2H+K"	36.948606
"1558603"	130.890406	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+K-2H"	36.948606
"948308"	138.939994	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-H+HCOOH"	44.998194
"365794"	232.881801	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+HCOOH-H"	44.998201
"348583"	246.897451	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+Hac-H"	59.013851
"1494136"	152.955651	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Hac-H"	59.013851
"963503"	160.921951	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-H+NaCOOH"	66.980151
"110232"	128.911202	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+2Cl"	69.938804
"550871"	175.882102	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+2Cl"	69.938804
"1021736"	81.940302	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2Cl"	69.938804
"1242898"	172.860685	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Br"	78.918885
"1307171"	174.916672	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Cl+HCOOH"	80.974872
"1323938"	196.898629	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Cl+NaCOOH"	102.956829
"917180"	206.927386	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M-H+CF3COOH"	112.985586
"1292435"	242.904064	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Cl+CF3COOH"	148.962264
"1367269"	58.929124	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H-2H2O"	-35.012676
"1397214"	76.9391	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H-H2O"	-17.0027
"291067"	188.890876	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+H"	1.007276
"687135"	282.832676	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+H"	1.007276
"1360202"	94.949076	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H"	1.007276
"126893"	94.949076	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+2H"	2.014552
"569007"	141.919976	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+2H"	2.014552
"1047650"	47.978176	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2H"	2.014552
"211177"	63.6351426666667	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+3H"	3.021828
"648550"	94.949076	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+3H"	3.021828
"1164488"	32.3212093333333	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+3H"	3.021828
"426666"	205.917423	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+NH4"	18.033823
"785700"	299.859223	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+NH4"	18.033823
"1685090"	111.975623	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+NH4"	18.033823
"335556"	103.4623495	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+H+NH4"	19.041099
"730161"	150.4332495	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+H+NH4"	19.041099
"1479607"	56.4914495	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H+NH4"	19.041099
"395007"	210.872818	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+Na"	22.989218
"754457"	304.814618	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+Na"	22.989218
"1604824"	116.931018	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Na"	22.989218
"316322"	105.940047	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+H+Na"	23.996494
"710933"	152.910947	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+H+Na"	23.996494
"1462925"	58.969147	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H+Na"	23.996494
"1053257"	39.6485233333333	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2H+Na"	25.00377
"1261868"	126.975286	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+CH3OH+H"	33.033486
"385912"	226.846758	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+K"	38.963158
"752742"	320.788558	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+K"	38.963158
"1545681"	132.904958	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+K"	38.963158
"313432"	113.927017	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+H+K"	39.970434
"696373"	160.897917	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+H+K"	39.970434
"1452384"	66.956117	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H+K"	39.970434
"238799"	229.917426	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+ACN+H"	42.033826
"1215881"	135.975626	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+ACN+H"	42.033826
"1199761"	68.491451	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+ACN+2H"	43.041102
"193726"	232.85476	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+2Na-H"	44.97116
"634381"	326.79656	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+2Na-H"	44.97116
"1134606"	138.91296	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2Na-H"	44.97116
"185195"	116.931018	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+2Na"	45.978436
"625485"	163.901918	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+2Na"	45.978436
"1130538"	69.960118	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2Na"	45.978436
"1413334"	46.9758373333333	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H+2Na"	46.985712
"1443176"	140.954546	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H+HCOOH"	47.012746
"231779"	121.96404	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+3H2O+2H"	56.04448
"1522758"	155.00659	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+IsoProp+H"	61.06479
"421717"	124.917988	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+Na+K"	61.952376
"781618"	171.888888	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+Na+K"	61.952376
"1677583"	77.947088	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Na+K"	61.952376
"265684"	251.899368	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+ACN+Na"	64.015768
"1239728"	157.957568	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+ACN+Na"	64.015768
"1726427"	157.981093	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+NH4+HCOOH"	64.039293
"1192145"	54.3031513333333	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+3Na"	68.967654
"1664832"	162.936488	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Na+HCOOH"	68.994688
"171085"	264.80264	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+2K-H"	76.91904
"606635"	358.74444	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+2K-H"	76.91904
"1090057"	170.86084	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2K-H"	76.91904
"155623"	132.904958	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"2M+2K"	77.926316
"594091"	179.875858	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"3M+2K"	77.926316
"1080791"	85.934058	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2K"	77.926316
"1110722"	172.875392	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2K+H"	78.933592
"1337629"	172.963007	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+DMSO+H"	79.021207
"1009073"	177.002176	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2ACN+H"	83.060376
"1529383"	177.995808	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+IsoProp+Na+H"	84.054008
"992916"	89.004726	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+2ACN+2H"	84.067652
"1589607"	178.910428	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+K+HCOOH"	84.968628
"1414904"	208.941938	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+H+CF3COOH"	115.000138
"1150664"	109.518001	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+3ACN+2H"	125.094202
"1698025"	225.968485	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+NH4+CF3COOH"	132.026685
"1635866"	230.92388	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+Na+CF3COOH"	136.98208
"1585738"	246.89782	"C18447"	"Methyl bromide"	"CH3Br"	"93.9418"	"M+K+CF3COOH"	152.95602
"806263"	141.9279	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M"	0
"974367"	122.90951	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-H2O-H"	-19.01839
"62956"	93.611324	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M-3H"	-3.021828
"502947"	140.920624	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M-3H"	-3.021828
"881148"	46.302024	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-3H"	-3.021828
"5070"	140.920624	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M-2H"	-2.014552
"442444"	211.884574	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M-2H"	-2.014552
"821335"	69.956674	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-2H"	-2.014552
"83515"	282.848524	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M-H"	-1.007276
"520037"	424.776424	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M-H"	-1.007276
"897110"	140.920624	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-H"	-1.007276
"51978"	299.875071	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M-2H+NH4"	16.019271
"490443"	441.802971	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M-2H+NH4"	16.019271
"866781"	157.947171	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-2H+NH4"	16.019271
"42349"	304.830466	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M-2H+Na"	20.974666
"476807"	446.758366	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M-2H+Na"	20.974666
"860806"	162.902566	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-2H+Na"	20.974666
"1630704"	162.902566	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Na-2H"	20.974666
"108326"	158.908963	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M-H+Cl"	33.962126
"542419"	229.872913	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M-H+Cl"	33.962126
"938123"	87.945013	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-H+Cl"	33.962126
"274491"	318.825202	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+Cl"	34.969402
"668007"	460.753102	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+Cl"	34.969402
"1278223"	176.897302	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Cl"	34.969402
"21874"	320.804406	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M-2H+K"	36.948606
"459247"	462.732306	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M-2H+K"	36.948606
"838141"	178.876506	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-2H+K"	36.948606
"1557256"	178.876506	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+K-2H"	36.948606
"948418"	186.926094	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-H+HCOOH"	44.998194
"362379"	328.854001	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+HCOOH-H"	44.998201
"347234"	342.869651	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+Hac-H"	59.013851
"1497892"	200.941751	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Hac-H"	59.013851
"962522"	208.908051	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-H+NaCOOH"	66.980151
"111422"	176.897302	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+2Cl"	69.938804
"552080"	247.861252	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+2Cl"	69.938804
"1027807"	105.933352	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2Cl"	69.938804
"1243739"	220.846785	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Br"	78.918885
"1307280"	222.902772	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Cl+HCOOH"	80.974872
"1323683"	244.884729	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Cl+NaCOOH"	102.956829
"916202"	254.913486	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M-H+CF3COOH"	112.985586
"1295826"	290.890164	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Cl+CF3COOH"	148.962264
"1367143"	106.915224	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H-2H2O"	-35.012676
"1386020"	124.9252	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H-H2O"	-17.0027
"287897"	284.863076	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+H"	1.007276
"682504"	426.790976	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+H"	1.007276
"1352293"	142.935176	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H"	1.007276
"132110"	142.935176	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+2H"	2.014552
"578963"	213.899126	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+2H"	2.014552
"1044480"	71.971226	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2H"	2.014552
"204353"	95.625876	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+3H"	3.021828
"648660"	142.935176	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+3H"	3.021828
"1163016"	48.316576	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+3H"	3.021828
"425804"	301.889623	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+NH4"	18.033823
"785820"	443.817523	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+NH4"	18.033823
"1687389"	159.961723	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+NH4"	18.033823
"333480"	151.4484495	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+H+NH4"	19.041099
"724807"	222.4123995	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+H+NH4"	19.041099
"1479720"	80.4844995	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H+NH4"	19.041099
"394024"	306.845018	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+Na"	22.989218
"756111"	448.772918	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+Na"	22.989218
"1606393"	164.917118	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Na"	22.989218
"315582"	153.926147	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+H+Na"	23.996494
"712136"	224.890097	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+H+Na"	23.996494
"1463036"	82.962197	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H+Na"	23.996494
"1054829"	55.64389	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2H+Na"	25.00377
"1260885"	174.961386	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+CH3OH+H"	33.033486
"386022"	322.818958	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+K"	38.963158
"746653"	464.746858	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+K"	38.963158
"1544698"	180.891058	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+K"	38.963158
"310261"	161.913117	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+H+K"	39.970434
"695389"	232.877067	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+H+K"	39.970434
"1450304"	90.949167	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H+K"	39.970434
"243279"	325.889626	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+ACN+H"	42.033826
"1213804"	183.961726	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+ACN+H"	42.033826
"1197319"	92.484501	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+ACN+2H"	43.041102
"193104"	328.82696	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+2Na-H"	44.97116
"632668"	470.75486	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+2Na-H"	44.97116
"1135813"	186.89906	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2Na-H"	44.97116
"181295"	164.917118	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+2Na"	45.978436
"625959"	235.881068	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+2Na"	45.978436
"1130809"	93.953168	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2Na"	45.978436
"1413934"	62.971204	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H+2Na"	46.985712
"1445497"	188.940646	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H+HCOOH"	47.012746
"234079"	169.95014	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+3H2O+2H"	56.04448
"1522139"	202.99269	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+IsoProp+H"	61.06479
"422800"	172.904088	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+Na+K"	61.952376
"781364"	243.868038	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+Na+K"	61.952376
"1678423"	101.940138	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Na+K"	61.952376
"263486"	347.871568	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+ACN+Na"	64.015768
"1239719"	205.943668	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+ACN+Na"	64.015768
"1726173"	205.967193	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+NH4+HCOOH"	64.039293
"1189704"	70.298518	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+3Na"	68.967654
"1662147"	210.922588	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Na+HCOOH"	68.994688
"170101"	360.77484	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+2K-H"	76.91904
"608932"	502.70274	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+2K-H"	76.91904
"1090167"	218.84694	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2K-H"	76.91904
"155733"	180.891058	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"2M+2K"	77.926316
"594201"	251.855008	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"3M+2K"	77.926316
"1081994"	109.927108	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2K"	77.926316
"1110832"	220.861492	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2K+H"	78.933592
"1337736"	220.949107	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+DMSO+H"	79.021207
"1010274"	224.988276	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2ACN+H"	83.060376
"1525850"	225.981908	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+IsoProp+Na+H"	84.054008
"993761"	112.997776	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+2ACN+2H"	84.067652
"1591545"	226.896528	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+K+HCOOH"	84.968628
"1415018"	256.928038	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+H+CF3COOH"	115.000138
"1147610"	133.511051	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+3ACN+2H"	125.094202
"1697167"	273.954585	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+NH4+CF3COOH"	132.026685
"1635005"	278.90998	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+Na+CF3COOH"	136.98208
"1585848"	294.88392	"C18448"	"Methyl iodide"	"CH3I"	"141.9279"	"M+K+CF3COOH"	152.95602
"806373"	246.0101	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M"	0
"974470"	226.99171	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-H2O-H"	-19.01839
"63200"	162.999457333333	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M-3H"	-3.021828
"503084"	245.002824	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M-3H"	-3.021828
"880158"	80.9960906666667	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-3H"	-3.021828
"807"	245.002824	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M-2H"	-2.014552
"440239"	368.007874	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M-2H"	-2.014552
"818287"	121.997774	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-2H"	-2.014552
"80346"	491.012924	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M-H"	-1.007276
"519292"	737.023024	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M-H"	-1.007276
"896044"	245.002824	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-H"	-1.007276
"53181"	508.039471	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M-2H+NH4"	16.019271
"489460"	754.049571	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M-2H+NH4"	16.019271
"865188"	262.029371	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-2H+NH4"	16.019271
"42459"	512.994866	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M-2H+Na"	20.974666
"476917"	759.004966	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M-2H+Na"	20.974666
"860187"	266.984766	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-2H+Na"	20.974666
"1628628"	266.984766	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Na-2H"	20.974666
"102970"	262.991163	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M-H+Cl"	33.962126
"539249"	385.996213	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M-H+Cl"	33.962126
"931671"	139.986113	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-H+Cl"	33.962126
"272415"	526.989602	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+Cl"	34.969402
"661918"	772.999702	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+Cl"	34.969402
"1275781"	280.979502	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Cl"	34.969402
"19797"	528.968806	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M-2H+K"	36.948606
"461544"	774.978906	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M-2H+K"	36.948606
"840438"	282.958706	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-2H+K"	36.948606
"1557730"	282.958706	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+K-2H"	36.948606
"947435"	291.008294	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-H+HCOOH"	44.998194
"363092"	537.018401	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+HCOOH-H"	44.998201
"346978"	551.034051	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+Hac-H"	59.013851
"1494719"	305.023951	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Hac-H"	59.013851
"962632"	312.990251	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-H+NaCOOH"	66.980151
"110236"	280.979502	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+2Cl"	69.938804
"552556"	403.984552	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+2Cl"	69.938804
"1027917"	157.974452	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2Cl"	69.938804
"1245672"	324.928985	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Br"	78.918885
"1305934"	326.984972	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Cl+HCOOH"	80.974872
"1323065"	348.966929	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Cl+NaCOOH"	102.956829
"917406"	358.995686	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M-H+CF3COOH"	112.985586
"1300310"	394.972364	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Cl+CF3COOH"	148.962264
"1368996"	210.997424	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H-2H2O"	-35.012676
"1384672"	229.0074	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H-H2O"	-17.0027
"288007"	493.027476	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+H"	1.007276
"681521"	739.037576	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+H"	1.007276
"1352522"	247.017376	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H"	1.007276
"132584"	247.017376	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+2H"	2.014552
"579073"	370.022426	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+2H"	2.014552
"1041310"	124.012326	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2H"	2.014552
"204750"	165.014009333333	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+3H"	3.021828
"645730"	247.017376	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+3H"	3.021828
"1166894"	83.0106426666667	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+3H"	3.021828
"426886"	510.054023	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+NH4"	18.033823
"786217"	756.064123	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+NH4"	18.033823
"1685676"	264.043923	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+NH4"	18.033823
"334683"	255.5306495	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+H+NH4"	19.041099
"724917"	378.5356995	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+H+NH4"	19.041099
"1479830"	132.5255995	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H+NH4"	19.041099
"394134"	515.009418	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+Na"	22.989218
"756221"	761.019518	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+Na"	22.989218
"1608689"	268.999318	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Na"	22.989218
"315450"	258.008347	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+H+Na"	23.996494
"711153"	381.013397	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+H+Na"	23.996494
"1465696"	135.003297	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H+Na"	23.996494
"1054693"	90.3379566666667	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2H+Na"	25.00377
"1259899"	279.043586	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+CH3OH+H"	33.033486
"382852"	530.983358	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+K"	38.963158
"738782"	776.993458	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+K"	38.963158
"1544808"	284.973258	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+K"	38.963158
"307456"	265.995317	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+H+K"	39.970434
"695502"	389.000367	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+H+K"	39.970434
"1449682"	142.990267	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H+K"	39.970434
"242294"	534.054026	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+ACN+H"	42.033826
"1218282"	288.043926	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+ACN+H"	42.033826
"1202167"	144.525601	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+ACN+2H"	43.041102
"196130"	536.99136	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+2Na-H"	44.97116
"632412"	783.00146	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+2Na-H"	44.97116
"1133733"	290.98126	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2Na-H"	44.97116
"181405"	268.999318	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+2Na"	45.978436
"620966"	392.004368	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+2Na"	45.978436
"1129217"	145.994268	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2Na"	45.978436
"1413476"	97.6652706666667	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H+2Na"	46.985712
"1443399"	293.022846	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H+HCOOH"	47.012746
"234431"	274.03234	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+3H2O+2H"	56.04448
"1522856"	307.07489	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+IsoProp+H"	61.06479
"421938"	276.986288	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+Na+K"	61.952376
"777464"	399.991338	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+Na+K"	61.952376
"1677075"	153.981238	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Na+K"	61.952376
"261408"	556.035968	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+ACN+Na"	64.015768
"1238126"	310.025868	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+ACN+Na"	64.015768
"1723731"	310.049393	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+NH4+HCOOH"	64.039293
"1190178"	104.992584666667	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+3Na"	68.967654
"1659341"	315.004788	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Na+HCOOH"	68.994688
"168388"	568.93924	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+2K-H"	76.91904
"604669"	814.94934	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+2K-H"	76.91904
"1088452"	322.92914	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2K-H"	76.91904
"149283"	284.973258	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"2M+2K"	77.926316
"584469"	407.978308	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"3M+2K"	77.926316
"1075543"	161.968208	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2K"	77.926316
"1108756"	324.943692	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2K+H"	78.933592
"1336751"	325.031307	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+DMSO+H"	79.021207
"1006131"	329.070476	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2ACN+H"	83.060376
"1524624"	330.064108	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+IsoProp+Na+H"	84.054008
"992778"	165.038876	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+2ACN+2H"	84.067652
"1587322"	330.978728	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+K+HCOOH"	84.968628
"1414317"	361.010238	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+H+CF3COOH"	115.000138
"1147473"	185.552151	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+3ACN+2H"	125.094202
"1697509"	378.036785	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+NH4+CF3COOH"	132.026685
"1634994"	382.99218	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+Na+CF3COOH"	136.98208
"1585958"	398.96612	"C18449"	"Amobam"	"C4H8N2S42NH3"	"246.0101"	"M+K+CF3COOH"	152.95602
"806486"	287.8862	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M"	0
"980018"	268.86781	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-H2O-H"	-19.01839
"68259"	190.916857333333	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M-3H"	-3.021828
"505632"	286.878924	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M-3H"	-3.021828
"885621"	94.9547906666667	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-3H"	-3.021828
"9664"	286.878924	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M-2H"	-2.014552
"443758"	430.822024	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M-2H"	-2.014552
"818398"	142.935824	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-2H"	-2.014552
"83737"	574.765124	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M-H"	-1.007276
"526582"	862.651324	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M-H"	-1.007276
"900010"	286.878924	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-H"	-1.007276
"54386"	591.791671	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M-2H+NH4"	16.019271
"493946"	879.677871	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M-2H+NH4"	16.019271
"864576"	303.905471	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-2H+NH4"	16.019271
"42933"	596.747066	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M-2H+Na"	20.974666
"477027"	884.633266	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M-2H+Na"	20.974666
"861026"	308.860866	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-2H+Na"	20.974666
"1629832"	308.860866	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Na-2H"	20.974666
"103080"	304.867263	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M-H+Cl"	33.962126
"534986"	448.810363	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M-H+Cl"	33.962126
"928135"	160.924163	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-H+Cl"	33.962126
"271067"	610.741802	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+Cl"	34.969402
"664582"	898.628002	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+Cl"	34.969402
"1276620"	322.855602	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Cl"	34.969402
"16011"	612.721006	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M-2H+K"	36.948606
"461652"	900.607206	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M-2H+K"	36.948606
"839454"	324.834806	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-2H+K"	36.948606
"1562941"	324.834806	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+K-2H"	36.948606
"946814"	332.884394	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-H+HCOOH"	44.998194
"363569"	620.770601	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+HCOOH-H"	44.998201
"348182"	634.786251	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+Hac-H"	59.013851
"1495921"	346.900051	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Hac-H"	59.013851
"960182"	354.866351	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-H+NaCOOH"	66.980151
"110788"	322.855602	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+2Cl"	69.938804
"558866"	466.798702	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+2Cl"	69.938804
"1027666"	178.912502	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2Cl"	69.938804
"1244325"	366.805085	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Br"	78.918885
"1307867"	368.861072	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Cl+HCOOH"	80.974872
"1323542"	390.843029	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Cl+NaCOOH"	102.956829
"919341"	400.871786	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M-H+CF3COOH"	112.985586
"1292038"	436.848464	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Cl+CF3COOH"	148.962264
"1369108"	252.873524	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H-2H2O"	-35.012676
"1383688"	270.8835	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H-H2O"	-17.0027
"288117"	576.779676	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+H"	1.007276
"681631"	864.665876	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+H"	1.007276
"1352998"	288.893476	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H"	1.007276
"133058"	288.893476	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+2H"	2.014552
"573713"	432.836576	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+2H"	2.014552
"1046888"	144.950376	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2H"	2.014552
"207252"	192.931409333333	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+3H"	3.021828
"645719"	288.893476	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+3H"	3.021828
"1169189"	96.9693426666667	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+3H"	3.021828
"428086"	593.806223	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+NH4"	18.033823
"786290"	881.692423	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+NH4"	18.033823
"1687609"	305.920023	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+NH4"	18.033823
"335887"	297.4067495	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+H+NH4"	19.041099
"726120"	441.3498495	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+H+NH4"	19.041099
"1481034"	153.4636495	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H+NH4"	19.041099
"394366"	598.761618	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+Na"	22.989218
"756332"	886.647818	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+Na"	22.989218
"1604432"	310.875418	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Na"	22.989218
"318842"	299.884447	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+H+Na"	23.996494
"711629"	443.827547	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+H+Na"	23.996494
"1466176"	155.941347	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H+Na"	23.996494
"1053955"	104.296656666667	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2H+Na"	25.00377
"1259645"	320.919686	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+CH3OH+H"	33.033486
"385149"	614.735558	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+K"	38.963158
"741040"	902.621758	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+K"	38.963158
"1543095"	326.849358	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+K"	38.963158
"309390"	307.871417	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+H+K"	39.970434
"702174"	451.814517	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+H+K"	39.970434
"1446150"	163.928317	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H+K"	39.970434
"236938"	617.806226	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+ACN+H"	42.033826
"1210418"	329.920026	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+ACN+H"	42.033826
"1196812"	165.463651	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+ACN+2H"	43.041102
"191140"	620.74356	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+2Na-H"	44.97116
"633622"	908.62976	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+2Na-H"	44.97116
"1137124"	332.85736	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2Na-H"	44.97116
"178235"	310.875418	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+2Na"	45.978436
"627895"	454.818518	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+2Na"	45.978436
"1129084"	166.932318	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2Na"	45.978436
"1413952"	111.623970666667	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H+2Na"	46.985712
"1445305"	334.898946	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H+HCOOH"	47.012746
"234793"	315.90844	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+3H2O+2H"	56.04448
"1520903"	348.95099	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+IsoProp+H"	61.06479
"420589"	318.862388	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+Na+K"	61.952376
"783043"	462.805488	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+Na+K"	61.952376
"1678281"	174.919288	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Na+K"	61.952376
"264067"	639.788168	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+ACN+Na"	64.015768
"1240423"	351.901968	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+ACN+Na"	64.015768
"1725297"	351.925493	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+NH4+HCOOH"	64.039293
"1189558"	118.951284666667	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+3Na"	68.967654
"1660546"	356.880888	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Na+HCOOH"	68.994688
"161941"	652.69144	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+2K-H"	76.91904
"602594"	940.57764	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+2K-H"	76.91904
"1091480"	364.80524	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2K-H"	76.91904
"150487"	326.849358	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"2M+2K"	77.926316
"588955"	470.792458	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"3M+2K"	77.926316
"1082216"	182.906258	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2K"	77.926316
"1103397"	366.819792	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2K+H"	78.933592
"1341972"	366.907407	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+DMSO+H"	79.021207
"1010502"	370.946576	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2ACN+H"	83.060376
"1534096"	371.940208	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+IsoProp+Na+H"	84.054008
"997263"	185.976926	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+2ACN+2H"	84.067652
"1597234"	372.854828	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+K+HCOOH"	84.968628
"1426175"	402.886338	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+H+CF3COOH"	115.000138
"1147259"	206.490201	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+3ACN+2H"	125.094202
"1700547"	419.912885	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+NH4+CF3COOH"	132.026685
"1637291"	424.86828	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+Na+CF3COOH"	136.98208
"1586068"	440.84222	"C18450"	"Propineb"	"C5H8N2S4Zn"	"287.8862"	"M+K+CF3COOH"	152.95602
"806593"	353.8843	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M"	0
"983408"	334.86591	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-H2O-H"	-19.01839
"69464"	234.915590666667	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M-3H"	-3.021828
"504650"	352.877024	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M-3H"	-3.021828
"881357"	116.954157333333	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-3H"	-3.021828
"6494"	352.877024	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M-2H"	-2.014552
"442775"	529.819174	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M-2H"	-2.014552
"821665"	175.934874	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-2H"	-2.014552
"81663"	706.761324	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M-H"	-1.007276
"525600"	1060.645624	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M-H"	-1.007276
"903401"	352.877024	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-H"	-1.007276
"56319"	723.787871	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M-2H+NH4"	16.019271
"498797"	1077.672171	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M-2H+NH4"	16.019271
"867483"	369.903571	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-2H+NH4"	16.019271
"43043"	728.743266	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M-2H+Na"	20.974666
"484430"	1082.627566	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M-2H+Na"	20.974666
"863326"	374.858966	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-2H+Na"	20.974666
"1626664"	374.858966	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Na-2H"	20.974666
"98818"	370.865363	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M-H+Cl"	33.962126
"538377"	547.807513	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M-H+Cl"	33.962126
"934081"	193.923213	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-H+Cl"	33.962126
"274824"	742.738002	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+Cl"	34.969402
"666153"	1096.622302	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+Cl"	34.969402
"1277459"	388.853702	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Cl"	34.969402
"21110"	744.717206	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M-2H+K"	36.948606
"460670"	1098.601506	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M-2H+K"	36.948606
"836284"	390.832906	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-2H+K"	36.948606
"1563055"	390.832906	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+K-2H"	36.948606
"953123"	398.882494	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-H+HCOOH"	44.998194
"364411"	752.766801	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+HCOOH-H"	44.998201
"349752"	766.782451	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+Hac-H"	59.013851
"1495302"	412.898151	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Hac-H"	59.013851
"961757"	420.864451	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-H+NaCOOH"	66.980151
"118321"	388.853702	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+2Cl"	69.938804
"557884"	565.795852	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+2Cl"	69.938804
"1025589"	211.911552	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2Cl"	69.938804
"1242977"	432.803185	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Br"	78.918885
"1307615"	434.859172	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Cl+HCOOH"	80.974872
"1324383"	456.841129	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Cl+NaCOOH"	102.956829
"915076"	466.869886	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M-H+CF3COOH"	112.985586
"1294337"	502.846564	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Cl+CF3COOH"	148.962264
"1377601"	318.871624	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H-2H2O"	-35.012676
"1390726"	336.8816	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H-H2O"	-17.0027
"284214"	708.775876	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+H"	1.007276
"677364"	1062.660176	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+H"	1.007276
"1355904"	354.891576	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H"	1.007276
"133168"	354.891576	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+2H"	2.014552
"570543"	531.833726	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+2H"	2.014552
"1046998"	177.949426	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2H"	2.014552
"207241"	236.930142666667	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+3H"	3.021828
"654455"	354.891576	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+3H"	3.021828
"1170393"	118.968709333333	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+3H"	3.021828
"430384"	725.802423	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+NH4"	18.033823
"787008"	1079.686723	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+NH4"	18.033823
"1686626"	371.918123	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+NH4"	18.033823
"335271"	363.4048495	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+H+NH4"	19.041099
"728420"	540.3469995	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+H+NH4"	19.041099
"1478105"	186.4626995	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H+NH4"	19.041099
"395449"	730.757818	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+Na"	22.989218
"757539"	1084.642118	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+Na"	22.989218
"1604906"	376.873518	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Na"	22.989218
"316036"	365.882547	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+H+Na"	23.996494
"710280"	542.824697	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+H+Na"	23.996494
"1465195"	188.940397	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H+Na"	23.996494
"1055527"	126.296023333333	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2H+Na"	25.00377
"1260120"	386.917786	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+CH3OH+H"	33.033486
"385259"	746.731758	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+K"	38.963158
"740784"	1100.616058	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+K"	38.963158
"1542841"	392.847458	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+K"	38.963158
"311322"	373.869517	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+H+K"	39.970434
"702282"	550.811667	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+H+K"	39.970434
"1446991"	196.927367	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H+K"	39.970434
"240329"	749.802426	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+ACN+H"	42.033826
"1213039"	395.918126	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+ACN+H"	42.033826
"1198015"	198.462701	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+ACN+2H"	43.041102
"193072"	752.73976	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+2Na-H"	44.97116
"632639"	1106.62406	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+2Na-H"	44.97116
"1136142"	398.85546	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2Na-H"	44.97116
"178345"	376.873518	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+2Na"	45.978436
"627270"	553.815668	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+2Na"	45.978436
"1129071"	199.931368	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2Na"	45.978436
"1413172"	133.623337333333	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H+2Na"	46.985712
"1444601"	400.897046	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H+HCOOH"	47.012746
"234658"	381.90654	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+3H2O+2H"	56.04448
"1522960"	414.94909	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+IsoProp+H"	61.06479
"421793"	384.860488	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+Na+K"	61.952376
"784247"	561.802638	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+Na+K"	61.952376
"1679484"	207.918338	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Na+K"	61.952376
"263449"	771.784368	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+ACN+Na"	64.015768
"1240048"	417.900068	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+ACN+Na"	64.015768
"1723951"	417.923593	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+NH4+HCOOH"	64.039293
"1188211"	140.950651333333	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+3Na"	68.967654
"1657376"	422.878988	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Na+HCOOH"	68.994688
"160957"	784.68764	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+2K-H"	76.91904
"600516"	1138.57194	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+2K-H"	76.91904
"1090496"	430.80334	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2K-H"	76.91904
"150597"	392.847458	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"2M+2K"	77.926316
"589065"	569.789608	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"3M+2K"	77.926316
"1072483"	215.905308	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2K"	77.926316
"1103507"	432.817892	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2K+H"	78.933592
"1342082"	432.905507	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+DMSO+H"	79.021207
"1012800"	436.944676	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2ACN+H"	83.060376
"1534206"	437.938308	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+IsoProp+Na+H"	84.054008
"996280"	218.975976	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+2ACN+2H"	84.067652
"1597344"	438.852928	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+K+HCOOH"	84.968628
"1426285"	468.884438	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+H+CF3COOH"	115.000138
"1153294"	239.489251	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+3ACN+2H"	125.094202
"1707219"	485.910985	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+NH4+CF3COOH"	132.026685
"1638496"	490.86638	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+Na+CF3COOH"	136.98208
"1586178"	506.84032	"C18451"	"Tetradifon"	"C12H6Cl4O2S"	"353.8843"	"M+K+CF3COOH"	152.95602
"806703"	256.0769	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M"	0
"975129"	237.05851	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-H2O-H"	-19.01839
"66292"	169.710657333333	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M-3H"	-3.021828
"505851"	255.069624	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M-3H"	-3.021828
"880733"	84.3516906666667	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-3H"	-3.021828
"4415"	255.069624	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M-2H"	-2.014552
"442154"	383.108074	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M-2H"	-2.014552
"821775"	127.031174	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-2H"	-2.014552
"83959"	511.146524	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M-H"	-1.007276
"525711"	767.223424	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M-H"	-1.007276
"897071"	255.069624	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-H"	-1.007276
"54606"	528.173071	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M-2H+NH4"	16.019271
"499271"	784.249971	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M-2H+NH4"	16.019271
"867593"	272.096171	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-2H+NH4"	16.019271
"43518"	533.128466	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M-2H+Na"	20.974666
"484540"	789.205366	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M-2H+Na"	20.974666
"863436"	277.051566	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-2H+Na"	20.974666
"1628961"	277.051566	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Na-2H"	20.974666
"101115"	273.057963	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M-H+Cl"	33.962126
"538487"	401.096413	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M-H+Cl"	33.962126
"934191"	145.019513	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-H+Cl"	33.962126
"274934"	547.123202	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+Cl"	34.969402
"666264"	803.200102	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+Cl"	34.969402
"1277571"	291.046302	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Cl"	34.969402
"19034"	549.102406	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M-2H+K"	36.948606
"464061"	805.179306	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M-2H+K"	36.948606
"842955"	293.025506	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-2H+K"	36.948606
"1564259"	293.025506	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+K-2H"	36.948606
"954326"	301.075094	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-H+HCOOH"	44.998194
"364885"	557.152001	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+HCOOH-H"	44.998201
"350225"	571.167651	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+Hac-H"	59.013851
"1495414"	315.090751	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Hac-H"	59.013851
"959800"	323.057051	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-H+NaCOOH"	66.980151
"114058"	291.046302	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+2Cl"	69.938804
"557994"	419.084752	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+2Cl"	69.938804
"1028981"	163.007852	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2Cl"	69.938804
"1244182"	334.995785	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Br"	78.918885
"1307725"	337.051772	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Cl+HCOOH"	80.974872
"1326316"	359.033729	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Cl+NaCOOH"	102.956829
"915915"	369.062486	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M-H+CF3COOH"	112.985586
"1294447"	405.039164	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Cl+CF3COOH"	148.962264
"1377711"	221.064224	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H-2H2O"	-35.012676
"1390836"	239.0742	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H-H2O"	-17.0027
"288336"	513.161076	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+H"	1.007276
"679299"	769.237976	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+H"	1.007276
"1355285"	257.084176	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H"	1.007276
"132185"	257.084176	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+2H"	2.014552
"570653"	385.122626	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+2H"	2.014552
"1048201"	129.045726	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2H"	2.014552
"209535"	171.725209333333	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+3H"	3.021828
"650190"	257.084176	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+3H"	3.021828
"1172690"	86.3662426666667	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+3H"	3.021828
"430494"	530.187623	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+NH4"	18.033823
"787965"	786.264523	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+NH4"	18.033823
"1683455"	274.110723	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+NH4"	18.033823
"338296"	265.5974495	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+H+NH4"	19.041099
"729623"	393.6358995	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+H+NH4"	19.041099
"1482347"	137.5589995	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H+NH4"	19.041099
"395923"	535.143018	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+Na"	22.989218
"754606"	791.219918	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+Na"	22.989218
"1605016"	279.066118	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Na"	22.989218
"316146"	268.075147	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+H+Na"	23.996494
"708079"	396.113597	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+H+Na"	23.996494
"1463482"	140.036697	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H+Na"	23.996494
"1056364"	93.6935566666667	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2H+Na"	25.00377
"1261323"	289.110386	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+CH3OH+H"	33.033486
"380990"	551.116958	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+K"	38.963158
"744174"	807.193858	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+K"	38.963158
"1541858"	295.040058	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+K"	38.963158
"312768"	276.062117	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+H+K"	39.970434
"706889"	404.100567	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+H+K"	39.970434
"1449653"	148.023667	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H+K"	39.970434
"240804"	554.187626	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+ACN+H"	42.033826
"1214242"	298.110726	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+ACN+H"	42.033826
"1198125"	149.559001	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+ACN+2H"	43.041102
"193183"	557.12496	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+2Na-H"	44.97116
"636028"	813.20186	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+2Na-H"	44.97116
"1138438"	301.04806	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2Na-H"	44.97116
"176268"	279.066118	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+2Na"	45.978436
"626038"	407.104568	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+2Na"	45.978436
"1128817"	151.027668	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2Na"	45.978436
"1413808"	101.020870666667	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H+2Na"	46.985712
"1445194"	303.089646	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H+HCOOH"	47.012746
"234888"	284.09914	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+3H2O+2H"	56.04448
"1521853"	317.14169	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+IsoProp+H"	61.06479
"422268"	287.053088	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+Na+K"	61.952376
"782898"	415.091538	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+Na+K"	61.952376
"1679229"	159.014638	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Na+K"	61.952376
"261735"	576.169568	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+ACN+Na"	64.015768
"1238820"	320.092668	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+ACN+Na"	64.015768
"1727343"	320.116193	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+NH4+HCOOH"	64.039293
"1187592"	108.348184666667	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+3Na"	68.967654
"1659673"	325.071588	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Na+HCOOH"	68.994688
"164347"	589.07284	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+2K-H"	76.91904
"606093"	845.14974	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+2K-H"	76.91904
"1089511"	332.99594	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2K-H"	76.91904
"153987"	295.040058	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"2M+2K"	77.926316
"591361"	423.078508	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"3M+2K"	77.926316
"1073321"	167.001608	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2K"	77.926316
"1103616"	335.010492	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2K+H"	78.933592
"1342192"	335.098107	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+DMSO+H"	79.021207
"1012910"	339.137276	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2ACN+H"	83.060376
"1533223"	340.130908	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+IsoProp+Na+H"	84.054008
"996390"	170.072276	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+2ACN+2H"	84.067652
"1596361"	341.045528	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+K+HCOOH"	84.968628
"1425302"	371.077038	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+H+CF3COOH"	115.000138
"1153404"	190.585551	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+3ACN+2H"	125.094202
"1707329"	388.103585	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+NH4+CF3COOH"	132.026685
"1637513"	393.05898	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+Na+CF3COOH"	136.98208
"1586288"	409.03292	"C18452"	"Benfuresate"	"C12H16O4S"	"256.0769"	"M+K+CF3COOH"	152.95602
"806813"	453.1022	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M"	0
"977065"	434.08381	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-H2O-H"	-19.01839
"66402"	301.060857333333	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M-3H"	-3.021828
"507056"	452.094924	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M-3H"	-3.021828
"884857"	150.026790666667	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-3H"	-3.021828
"7803"	452.094924	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M-2H"	-2.014552
"446273"	678.646024	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M-2H"	-2.014552
"821885"	225.543824	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-2H"	-2.014552
"82975"	905.197124	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M-H"	-1.007276
"524728"	1358.299324	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M-H"	-1.007276
"898153"	452.094924	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-H"	-1.007276
"54716"	922.223671	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M-2H+NH4"	16.019271
"495372"	1375.325871	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M-2H+NH4"	16.019271
"865149"	469.121471	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-2H+NH4"	16.019271
"33541"	927.179066	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M-2H+Na"	20.974666
"484650"	1380.281266	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M-2H+Na"	20.974666
"860266"	474.076866	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-2H+Na"	20.974666
"1629071"	474.076866	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Na-2H"	20.974666
"102319"	470.083263	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M-H+Cl"	33.962126
"538597"	696.634363	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M-H+Cl"	33.962126
"937217"	243.532163	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-H+Cl"	33.962126
"275044"	941.173802	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+Cl"	34.969402
"667466"	1394.276002	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+Cl"	34.969402
"1282783"	488.071602	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Cl"	34.969402
"20236"	943.153006	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M-2H+K"	36.948606
"465266"	1396.255206	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M-2H+K"	36.948606
"843065"	490.050806	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-2H+K"	36.948606
"1565462"	490.050806	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+K-2H"	36.948606
"954072"	498.100394	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-H+HCOOH"	44.998194
"364267"	951.202601	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+HCOOH-H"	44.998201
"349242"	965.218251	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+Hac-H"	59.013851
"1496984"	512.116051	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Hac-H"	59.013851
"959298"	520.082351	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-H+NaCOOH"	66.980151
"118541"	488.071602	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+2Cl"	69.938804
"558103"	714.622702	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+2Cl"	69.938804
"1030184"	261.520502	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2Cl"	69.938804
"1244292"	532.021085	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Br"	78.918885
"1311117"	534.077072	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Cl+HCOOH"	80.974872
"1326426"	556.059029	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Cl+NaCOOH"	102.956829
"916025"	566.087786	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M-H+CF3COOH"	112.985586
"1295286"	602.064464	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Cl+CF3COOH"	148.962264
"1374541"	418.089524	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H-2H2O"	-35.012676
"1387666"	436.0995	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H-H2O"	-17.0027
"285163"	907.211676	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+H"	1.007276
"677950"	1360.313876	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+H"	1.007276
"1356124"	454.109476	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H"	1.007276
"134481"	454.109476	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+2H"	2.014552
"576229"	680.660576	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+2H"	2.014552
"1046125"	227.558376	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2H"	2.014552
"209647"	303.075409333333	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+3H"	3.021828
"656862"	454.109476	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+3H"	3.021828
"1172800"	152.041342666667	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+3H"	3.021828
"431697"	924.238223	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+NH4"	18.033823
"791600"	1377.340423	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+NH4"	18.033823
"1689023"	471.136023	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+NH4"	18.033823
"335122"	462.6227495	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+H+NH4"	19.041099
"730824"	689.1738495	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+H+NH4"	19.041099
"1478445"	236.0716495	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H+NH4"	19.041099
"395669"	929.193618	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+Na"	22.989218
"754796"	1382.295818	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+Na"	22.989218
"1604762"	476.091418	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Na"	22.989218
"315527"	465.100447	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+H+Na"	23.996494
"707460"	691.651547	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+H+Na"	23.996494
"1463104"	238.549347	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H+Na"	23.996494
"1060847"	159.368656666667	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2H+Na"	25.00377
"1260339"	486.135686	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+CH3OH+H"	33.033486
"382194"	945.167558	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+K"	38.963158
"744283"	1398.269758	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+K"	38.963158
"1545247"	492.065358	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+K"	38.963158
"312270"	473.087417	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+H+K"	39.970434
"706675"	699.638517	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+H+K"	39.970434
"1451949"	246.536317	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H+K"	39.970434
"239821"	948.238226	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+ACN+H"	42.033826
"1214352"	495.136026	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+ACN+H"	42.033826
"1196049"	248.071651	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+ACN+2H"	43.041102
"191107"	951.17556	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+2Na-H"	44.97116
"639417"	1404.27776	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+2Na-H"	44.97116
"1137455"	498.07336	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2Na-H"	44.97116
"181845"	476.091418	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+2Na"	45.978436
"624688"	702.642518	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+2Na"	45.978436
"1128925"	249.540318	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2Na"	45.978436
"1410626"	166.695970666667	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H+2Na"	46.985712
"1443473"	500.114946	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H+HCOOH"	47.012746
"234264"	481.12444	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+3H2O+2H"	56.04448
"1519774"	514.16699	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+IsoProp+H"	61.06479
"422013"	484.078388	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+Na+K"	61.952376
"782644"	710.629488	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+Na+K"	61.952376
"1675327"	257.527288	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Na+K"	61.952376
"259658"	970.220168	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+ACN+Na"	64.015768
"1237835"	517.117968	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+ACN+Na"	64.015768
"1722347"	517.141493	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+NH4+HCOOH"	64.039293
"1188795"	174.023284666667	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+3Na"	68.967654
"1661969"	522.096888	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Na+HCOOH"	68.994688
"162270"	983.12344	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+2K-H"	76.91904
"604017"	1436.22564	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+2K-H"	76.91904
"1090715"	530.02124	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2K-H"	76.91904
"154096"	492.065358	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"2M+2K"	77.926316
"589283"	718.616458	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"3M+2K"	77.926316
"1072702"	265.514258	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2K"	77.926316
"1109195"	532.035792	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2K+H"	78.933592
"1342303"	532.123407	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+DMSO+H"	79.021207
"1010835"	536.162576	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2ACN+H"	83.060376
"1532240"	537.156208	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+IsoProp+Na+H"	84.054008
"997595"	268.584926	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+2ACN+2H"	84.067652
"1594284"	538.070828	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+K+HCOOH"	84.968628
"1423226"	568.102338	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+H+CF3COOH"	115.000138
"1153514"	289.098201	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+3ACN+2H"	125.094202
"1707439"	585.128885	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+NH4+CF3COOH"	132.026685
"1637623"	590.08428	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+Na+CF3COOH"	136.98208
"1586398"	606.05822	"C18453"	"Bispyribac-sodium"	"C19H18N4O8Na"	"453.1022"	"M+K+CF3COOH"	152.95602
"806923"	480.9708	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M"	0
"977175"	461.95241	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-H2O-H"	-19.01839
"66873"	319.639924	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M-3H"	-3.021828
"505343"	479.963524	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M-3H"	-3.021828
"883144"	159.316324	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-3H"	-3.021828
"4997"	479.963524	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M-2H"	-2.014552
"446382"	720.448924	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M-2H"	-2.014552
"823088"	239.478124	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-2H"	-2.014552
"82356"	960.934324	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M-H"	-1.007276
"528117"	1441.905124	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M-H"	-1.007276
"898263"	479.963524	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-H"	-1.007276
"53732"	977.960871	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M-2H+NH4"	16.019271
"494388"	1458.931671	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M-2H+NH4"	16.019271
"865987"	496.990071	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-2H+NH4"	16.019271
"36812"	982.916266	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M-2H+Na"	20.974666
"478560"	1463.887066	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M-2H+Na"	20.974666
"851987"	501.945466	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-2H+Na"	20.974666
"1626992"	501.945466	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Na-2H"	20.974666
"98054"	497.951863	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M-H+Cl"	33.962126
"535791"	738.437263	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M-H+Cl"	33.962126
"933316"	257.466463	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-H+Cl"	33.962126
"271873"	996.911002	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+Cl"	34.969402
"665389"	1477.881802	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+Cl"	34.969402
"1279977"	515.940202	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Cl"	34.969402
"20709"	998.890206	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M-2H+K"	36.948606
"462094"	1479.861006	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M-2H+K"	36.948606
"840259"	517.919406	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-2H+K"	36.948606
"1559737"	517.919406	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+K-2H"	36.948606
"951266"	525.968994	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-H+HCOOH"	44.998194
"364739"	1006.939801	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+HCOOH-H"	44.998201
"348621"	1020.955451	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+Hac-H"	59.013851
"1495998"	539.984651	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Hac-H"	59.013851
"958801"	547.950951	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-H+NaCOOH"	66.980151
"117558"	515.940202	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+2Cl"	69.938804
"559305"	756.425602	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+2Cl"	69.938804
"1031387"	275.454802	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2Cl"	69.938804
"1244766"	559.889685	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Br"	78.918885
"1312320"	561.945672	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Cl+HCOOH"	80.974872
"1327629"	583.927629	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Cl+NaCOOH"	102.956829
"913948"	593.956386	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M-H+CF3COOH"	112.985586
"1292480"	629.933064	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Cl+CF3COOH"	148.962264
"1374651"	445.958124	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H-2H2O"	-35.012676
"1387776"	463.9681	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H-H2O"	-17.0027
"288556"	962.948876	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+H"	1.007276
"679883"	1443.919676	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+H"	1.007276
"1359513"	481.978076	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H"	1.007276
"130216"	481.978076	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+2H"	2.014552
"570870"	722.463476	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+2H"	2.014552
"1046235"	241.492676	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2H"	2.014552
"210850"	321.654476	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+3H"	3.021828
"652597"	481.978076	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+3H"	3.021828
"1172545"	161.330876	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+3H"	3.021828
"432901"	979.975423	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+NH4"	18.033823
"790617"	1460.946223	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+NH4"	18.033823
"1686946"	499.004623	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+NH4"	18.033823
"331946"	490.4913495	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+H+NH4"	19.041099
"728745"	730.9767495	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+H+NH4"	19.041099
"1477584"	250.0059495	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H+NH4"	19.041099
"393591"	984.930818	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+Na"	22.989218
"754462"	1465.901618	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+Na"	22.989218
"1603779"	503.960018	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Na"	22.989218
"317459"	492.969047	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+H+Na"	23.996494
"708058"	733.454447	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+H+Na"	23.996494
"1462604"	252.483647	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H+Na"	23.996494
"1058771"	168.65819	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2H+Na"	25.00377
"1260449"	514.004286	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+CH3OH+H"	33.033486
"382304"	1000.904758	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+K"	38.963158
"744393"	1481.875558	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+K"	38.963158
"1545357"	519.933958	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+K"	38.963158
"312747"	500.956017	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+H+K"	39.970434
"704799"	741.441417	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+H+K"	39.970434
"1457526"	260.470617	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H+K"	39.970434
"247223"	1003.975426	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+ACN+H"	42.033826
"1216648"	523.004626	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+ACN+H"	42.033826
"1195066"	262.005951	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+ACN+2H"	43.041102
"190121"	1006.91276	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+2Na-H"	44.97116
"634059"	1487.88356	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+2Na-H"	44.97116
"1137565"	525.94196	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2Na-H"	44.97116
"186326"	503.960018	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+2Na"	45.978436
"624798"	744.445418	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+2Na"	45.978436
"1130495"	263.474618	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2Na"	45.978436
"1410736"	175.985504	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H+2Na"	46.985712
"1443947"	527.983546	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H+HCOOH"	47.012746
"235655"	508.99304	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+3H2O+2H"	56.04448
"1521342"	542.03559	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+IsoProp+H"	61.06479
"418111"	511.946988	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+Na+K"	61.952376
"783483"	752.432388	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+Na+K"	61.952376
"1675437"	271.461588	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Na+K"	61.952376
"260861"	1025.957368	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+ACN+Na"	64.015768
"1236852"	544.986568	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+ACN+Na"	64.015768
"1723550"	545.010093	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+NH4+HCOOH"	64.039293
"1186718"	183.312818	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+3Na"	68.967654
"1662079"	549.965488	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Na+HCOOH"	68.994688
"163473"	1038.86064	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+2K-H"	76.91904
"606313"	1519.83144	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+2K-H"	76.91904
"1090825"	557.88984	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2K-H"	76.91904
"155299"	519.933958	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"2M+2K"	77.926316
"588300"	760.419358	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"3M+2K"	77.926316
"1073903"	279.448558	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2K"	77.926316
"1104930"	559.904392	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2K+H"	78.933592
"1338036"	559.992007	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+DMSO+H"	79.021207
"1008755"	564.031176	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2ACN+H"	83.060376
"1532348"	565.024808	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+IsoProp+Na+H"	84.054008
"997705"	282.519226	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+2ACN+2H"	84.067652
"1594394"	565.939428	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+K+HCOOH"	84.968628
"1424429"	595.970938	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+H+CF3COOH"	115.000138
"1153624"	303.032501	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+3ACN+2H"	125.094202
"1707549"	612.997485	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+NH4+CF3COOH"	132.026685
"1637733"	617.95288	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+Na+CF3COOH"	136.98208
"1586508"	633.92682	"C18454"	"Chlorantraniliprole"	"C18H14BrCl2N5O2"	"480.9708"	"M+K+CF3COOH"	152.95602
"803755"	405.9695	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M"	0
"974487"	386.95111	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-H2O-H"	-19.01839
"64070"	269.639057333333	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M-3H"	-3.021828
"505088"	404.962224	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M-3H"	-3.021828
"883985"	134.315890666667	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-3H"	-3.021828
"3650"	404.962224	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M-2H"	-2.014552
"441389"	607.946974	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M-2H"	-2.014552
"822106"	201.977474	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-2H"	-2.014552
"81009"	810.931724	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M-H"	-1.007276
"524948"	1216.901224	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M-H"	-1.007276
"899466"	404.962224	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-H"	-1.007276
"47195"	827.958271	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M-2H+NH4"	16.019271
"487809"	1233.927771	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M-2H+NH4"	16.019271
"864360"	421.988771	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-2H+NH4"	16.019271
"31475"	832.913666	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M-2H+Na"	20.974666
"480859"	1238.883166	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M-2H+Na"	20.974666
"859756"	426.944166	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-2H+Na"	20.974666
"1626009"	426.944166	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Na-2H"	20.974666
"102539"	422.950563	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M-H+Cl"	33.962126
"543193"	625.935313	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M-H+Cl"	33.962126
"930146"	219.965813	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-H+Cl"	33.962126
"271985"	846.908402	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+Cl"	34.969402
"664407"	1252.877902	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+Cl"	34.969402
"1276807"	440.938902	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Cl"	34.969402
"20820"	848.887606	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M-2H+K"	36.948606
"457464"	1254.857106	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M-2H+K"	36.948606
"837453"	442.918106	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-2H+K"	36.948606
"1559482"	442.918106	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+K-2H"	36.948606
"946636"	450.967694	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-H+HCOOH"	44.998194
"361605"	856.937201	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+HCOOH-H"	44.998201
"346181"	870.952851	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+Hac-H"	59.013851
"1496109"	464.983351	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Hac-H"	59.013851
"958498"	472.949651	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-H+NaCOOH"	66.980151
"118765"	440.938902	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+2Cl"	69.938804
"559415"	643.923652	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+2Cl"	69.938804
"1029310"	237.954152	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2Cl"	69.938804
"1247795"	484.888385	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Br"	78.918885
"1311338"	486.944372	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Cl+HCOOH"	80.974872
"1325554"	508.926329	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Cl+NaCOOH"	102.956829
"917706"	518.955086	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M-H+CF3COOH"	112.985586
"1292224"	554.931764	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Cl+CF3COOH"	148.962264
"1372938"	370.956824	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H-2H2O"	-35.012676
"1386062"	388.9668	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H-H2O"	-17.0027
"286472"	812.946276	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+H"	1.007276
"678895"	1218.915776	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+H"	1.007276
"1354154"	406.976776	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H"	1.007276
"127408"	406.976776	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+2H"	2.014552
"575352"	609.961526	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+2H"	2.014552
"1044152"	203.992026	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2H"	2.014552
"208774"	271.653609333333	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+3H"	3.021828
"649426"	406.976776	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+3H"	3.021828
"1167553"	136.330442666667	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+3H"	3.021828
"426450"	829.972823	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+NH4"	18.033823
"788903"	1235.942323	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+NH4"	18.033823
"1682316"	424.003323	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+NH4"	18.033823
"330350"	415.4900495	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+H+NH4"	19.041099
"726669"	618.4747995	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+H+NH4"	19.041099
"1480490"	212.5052995	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H+NH4"	19.041099
"393576"	834.928218	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+Na"	22.989218
"755057"	1240.897718	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+Na"	22.989218
"1604617"	428.958718	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Na"	22.989218
"315748"	417.967747	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+H+Na"	23.996494
"708163"	620.952497	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+H+Na"	23.996494
"1462348"	214.982997	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H+Na"	23.996494
"1059974"	143.657756666667	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2H+Na"	25.00377
"1260559"	439.002986	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+CH3OH+H"	33.033486
"382414"	850.902158	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+K"	38.963158
"744503"	1256.871658	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+K"	38.963158
"1543277"	444.932658	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+K"	38.963158
"301549"	425.954717	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+H+K"	39.970434
"698348"	628.939467	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+H+K"	39.970434
"1454355"	222.969967	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H+K"	39.970434
"245143"	853.972826	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+ACN+H"	42.033826
"1214571"	448.003326	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+ACN+H"	42.033826
"1194647"	224.505301	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+ACN+2H"	43.041102
"191323"	856.91016	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+2Na-H"	44.97116
"631250"	1262.87966	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+2Na-H"	44.97116
"1132934"	450.94066	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2Na-H"	44.97116
"182789"	428.958718	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+2Na"	45.978436
"624901"	631.943468	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+2Na"	45.978436
"1120760"	225.973968	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2Na"	45.978436
"1405373"	150.985070666667	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H+2Na"	46.985712
"1433120"	452.982246	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H+HCOOH"	47.012746
"232658"	433.99174	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+3H2O+2H"	56.04448
"1519627"	467.03429	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+IsoProp+H"	61.06479
"414939"	436.945688	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+Na+K"	61.952376
"775934"	639.930438	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+Na+K"	61.952376
"1673359"	233.960938	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Na+K"	61.952376
"254410"	875.954768	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+ACN+Na"	64.015768
"1233680"	469.985268	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+ACN+Na"	64.015768
"1722566"	470.008793	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+NH4+HCOOH"	64.039293
"1186827"	158.312384666667	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+3Na"	68.967654
"1656721"	474.964188	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Na+HCOOH"	68.994688
"162489"	888.85804	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+2K-H"	76.91904
"606423"	1294.82754	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+2K-H"	76.91904
"1087655"	482.88854	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2K-H"	76.91904
"152129"	444.932658	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"2M+2K"	77.926316
"588410"	647.917408	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"3M+2K"	77.926316
"1074013"	241.947908	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2K"	77.926316
"1103947"	484.903092	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2K+H"	78.933592
"1337049"	484.990707	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+DMSO+H"	79.021207
"1008864"	489.029876	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2ACN+H"	83.060376
"1533553"	490.023508	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+IsoProp+Na+H"	84.054008
"998908"	245.018576	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+2ACN+2H"	84.067652
"1594504"	490.938128	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+K+HCOOH"	84.968628
"1426726"	520.969638	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+H+CF3COOH"	115.000138
"1161389"	265.531851	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+3ACN+2H"	125.094202
"1707659"	537.996185	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+NH4+CF3COOH"	132.026685
"1638936"	542.95158	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+Na+CF3COOH"	136.98208
"1586618"	558.92552	"C18455"	"Chlorfenapyr"	"C15H11BrClF3N2O"	"405.9695"	"M+K+CF3COOH"	152.95602
"807145"	291.1138	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M"	0
"975693"	272.09541	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-H2O-H"	-19.01839
"65999"	193.068590666667	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M-3H"	-3.021828
"507384"	290.106524	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M-3H"	-3.021828
"882998"	96.0306573333333	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-3H"	-3.021828
"5948"	290.106524	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M-2H"	-2.014552
"443320"	435.663424	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M-2H"	-2.014552
"817959"	144.549624	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-2H"	-2.014552
"84398"	581.220324	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M-H"	-1.007276
"523965"	872.334124	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M-H"	-1.007276
"900669"	290.106524	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-H"	-1.007276
"47752"	598.246871	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M-2H+NH4"	16.019271
"489257"	889.360671	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M-2H+NH4"	16.019271
"865231"	307.133071	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-2H+NH4"	16.019271
"32287"	603.202266	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M-2H+Na"	20.974666
"480969"	894.316066	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M-2H+Na"	20.974666
"859866"	312.088466	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-2H+Na"	20.974666
"1626119"	312.088466	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Na-2H"	20.974666
"102649"	308.094863	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M-H+Cl"	33.962126
"540023"	453.651763	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M-H+Cl"	33.962126
"931348"	162.537963	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-H+Cl"	33.962126
"274282"	617.197002	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+Cl"	34.969402
"666338"	908.310802	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+Cl"	34.969402
"1278374"	326.083202	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Cl"	34.969402
"20931"	619.176206	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M-2H+K"	36.948606
"460489"	910.290006	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M-2H+K"	36.948606
"840114"	328.062406	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-2H+K"	36.948606
"1560685"	328.062406	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+K-2H"	36.948606
"948568"	336.111994	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-H+HCOOH"	44.998194
"362409"	627.225801	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+HCOOH-H"	44.998201
"348479"	641.241451	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+Hac-H"	59.013851
"1499500"	350.127651	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Hac-H"	59.013851
"959387"	358.093951	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-H+NaCOOH"	66.980151
"118872"	326.083202	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+2Cl"	69.938804
"558432"	471.640102	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+2Cl"	69.938804
"1027234"	180.526302	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2Cl"	69.938804
"1246812"	370.032685	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Br"	78.918885
"1311447"	372.088672	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Cl+HCOOH"	80.974872
"1326027"	394.070629	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Cl+NaCOOH"	102.956829
"914896"	404.099386	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M-H+CF3COOH"	112.985586
"1293429"	440.076064	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Cl+CF3COOH"	148.962264
"1373778"	256.101124	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H-2H2O"	-35.012676
"1387262"	274.1111	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H-H2O"	-17.0027
"287316"	583.234876	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+H"	1.007276
"678278"	874.348676	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+H"	1.007276
"1354992"	292.121076	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H"	1.007276
"129342"	292.121076	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+2H"	2.014552
"577648"	437.677976	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+2H"	2.014552
"1048636"	146.564176	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2H"	2.014552
"212164"	195.083142666667	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+3H"	3.021828
"650630"	292.121076	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+3H"	3.021828
"1168756"	98.0452093333333	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+3H"	3.021828
"427653"	600.261423	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+NH4"	18.033823
"786458"	891.375223	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+NH4"	18.033823
"1682183"	309.147623	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+NH4"	18.033823
"330707"	300.6343495	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+H+NH4"	19.041099
"727872"	446.1912495	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+H+NH4"	19.041099
"1480600"	155.0774495	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H+NH4"	19.041099
"393317"	605.216818	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+Na"	22.989218
"755168"	896.330618	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+Na"	22.989218
"1604363"	314.103018	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Na"	22.989218
"315858"	303.112047	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+H+Na"	23.996494
"708395"	448.668947	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+H+Na"	23.996494
"1462821"	157.555147	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H+Na"	23.996494
"1060084"	105.372523333333	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2H+Na"	25.00377
"1259940"	324.147286	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+CH3OH+H"	33.033486
"382524"	621.190758	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+K"	38.963158
"741334"	912.304558	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+K"	38.963158
"1542293"	330.076958	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+K"	38.963158
"301659"	311.099017	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+H+K"	39.970434
"697363"	456.655917	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+H+K"	39.970434
"1453371"	165.542117	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H+K"	39.970434
"241971"	624.261426	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+ACN+H"	42.033826
"1215774"	333.147626	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+ACN+H"	42.033826
"1195890"	167.077451	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+ACN+2H"	43.041102
"190705"	627.19876	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+2Na-H"	44.97116
"629780"	918.31256	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+2Na-H"	44.97116
"1132799"	336.08496	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2Na-H"	44.97116
"183263"	314.103018	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+2Na"	45.978436
"625377"	459.659918	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+2Na"	45.978436
"1125972"	168.546118	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2Na"	45.978436
"1406577"	112.699837333333	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H+2Na"	46.985712
"1432501"	338.126546	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H+HCOOH"	47.012746
"232768"	319.13604	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+3H2O+2H"	56.04448
"1520830"	352.17859	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+IsoProp+H"	61.06479
"415049"	322.089988	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+Na+K"	61.952376
"774951"	467.646888	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+Na+K"	61.952376
"1674562"	176.533088	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Na+K"	61.952376
"257800"	646.243368	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+ACN+Na"	64.015768
"1233790"	355.129568	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+ACN+Na"	64.015768
"1723770"	355.153093	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+NH4+HCOOH"	64.039293
"1189124"	120.027151333333	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+3Na"	68.967654
"1655738"	360.108488	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Na+HCOOH"	68.994688
"166973"	659.14664	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+2K-H"	76.91904
"611637"	950.26044	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+2K-H"	76.91904
"1093232"	368.03284	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2K-H"	76.91904
"154425"	330.076958	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"2M+2K"	77.926316
"589612"	475.633858	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"3M+2K"	77.926316
"1077403"	184.520058	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2K"	77.926316
"1110616"	370.047392	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2K+H"	78.933592
"1343722"	370.135007	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+DMSO+H"	79.021207
"1010066"	374.174176	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2ACN+H"	83.060376
"1529289"	375.167808	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+IsoProp+Na+H"	84.054008
"992457"	187.590726	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+2ACN+2H"	84.067652
"1592428"	376.082428	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+K+HCOOH"	84.968628
"1419182"	406.113938	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+H+CF3COOH"	115.000138
"1158219"	208.104001	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+3ACN+2H"	125.094202
"1704489"	423.140485	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+NH4+CF3COOH"	132.026685
"1639046"	428.09588	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+Na+CF3COOH"	136.98208
"1586728"	444.06982	"C18456"	"Cyproconazole"	"C15H18ClN3O"	"291.1138"	"M+K+CF3COOH"	152.95602
"813816"	162.0285	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M"	0
"976411"	143.01011	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-H2O-H"	-19.01839
"64652"	107.011724	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M-3H"	-3.021828
"503847"	161.021224	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M-3H"	-3.021828
"883109"	53.002224	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-3H"	-3.021828
"2779"	161.021224	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M-2H"	-2.014552
"446711"	242.035474	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M-2H"	-2.014552
"817950"	80.006974	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-2H"	-2.014552
"84508"	323.049724	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M-H"	-1.007276
"525168"	485.078224	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M-H"	-1.007276
"900779"	161.021224	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-H"	-1.007276
"48226"	340.076271	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M-2H+NH4"	16.019271
"489611"	502.104771	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M-2H+NH4"	16.019271
"864372"	178.047771	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-2H+NH4"	16.019271
"31667"	345.031666	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M-2H+Na"	20.974666
"481078"	507.060166	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M-2H+Na"	20.974666
"862161"	183.003166	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-2H+Na"	20.974666
"1626229"	183.003166	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Na-2H"	20.974666
"102759"	179.009563	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M-H+Cl"	33.962126
"540133"	260.023813	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M-H+Cl"	33.962126
"931458"	97.995313	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-H+Cl"	33.962126
"275485"	359.026402	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+Cl"	34.969402
"666814"	521.054902	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+Cl"	34.969402
"1279578"	196.997902	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Cl"	34.969402
"19946"	361.005606	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M-2H+K"	36.948606
"460599"	523.034106	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M-2H+K"	36.948606
"839495"	198.977106	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-2H+K"	36.948606
"1560795"	198.977106	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+K-2H"	36.948606
"948678"	207.026694	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-H+HCOOH"	44.998194
"362152"	369.055201	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+HCOOH-H"	44.998201
"347130"	383.070851	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+Hac-H"	59.013851
"1497786"	221.042351	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Hac-H"	59.013851
"959739"	229.008651	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-H+NaCOOH"	66.980151
"121535"	196.997902	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+2Cl"	69.938804
"558542"	278.012152	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+2Cl"	69.938804
"1030624"	115.983652	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2Cl"	69.938804
"1250203"	240.947385	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Br"	78.918885
"1310465"	243.003372	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Cl+HCOOH"	80.974872
"1325045"	264.985329	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Cl+NaCOOH"	102.956829
"915737"	275.014086	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M-H+CF3COOH"	112.985586
"1292446"	310.990764	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Cl+CF3COOH"	148.962264
"1370970"	127.015824	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H-2H2O"	-35.012676
"1389195"	145.0258	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H-H2O"	-17.0027
"286696"	325.064276	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+H"	1.007276
"678022"	487.092776	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+H"	1.007276
"1352913"	163.035776	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H"	1.007276
"134918"	163.035776	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+2H"	2.014552
"570103"	244.050026	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+2H"	2.014552
"1048746"	82.021526	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2H"	2.014552
"212274"	109.026276	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+3H"	3.021828
"647459"	163.035776	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+3H"	3.021828
"1168866"	55.016776	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+3H"	3.021828
"429951"	342.090823	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+NH4"	18.033823
"789853"	504.119323	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+NH4"	18.033823
"1683996"	180.062323	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+NH4"	18.033823
"330818"	171.5490495	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+H+NH4"	19.041099
"726159"	252.5632995	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+H+NH4"	19.041099
"1480710"	90.5347995	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H+NH4"	19.041099
"393144"	347.046218	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+Na"	22.989218
"756009"	509.074718	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+Na"	22.989218
"1605201"	185.017718	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Na"	22.989218
"316696"	174.026747	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+H+Na"	23.996494
"708991"	255.040997	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+H+Na"	23.996494
"1462568"	93.012497	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H+Na"	23.996494
"1059101"	62.34409	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2H+Na"	25.00377
"1261143"	195.061986	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+CH3OH+H"	33.033486
"381541"	363.020158	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+K"	38.963158
"740351"	525.048658	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+K"	38.963158
"1542038"	200.991658	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+K"	38.963158
"300676"	182.013717	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+H+K"	39.970434
"697473"	263.027967	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+H+K"	39.970434
"1453481"	100.999467	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H+K"	39.970434
"240988"	366.090826	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+ACN+H"	42.033826
"1215885"	204.062326	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+ACN+H"	42.033826
"1195637"	102.534801	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+ACN+2H"	43.041102
"190815"	369.02816	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+2Na-H"	44.97116
"629769"	531.05666	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+2Na-H"	44.97116
"1133154"	206.99966	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2Na-H"	44.97116
"183373"	185.017718	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+2Na"	45.978436
"625487"	266.031968	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+2Na"	45.978436
"1129727"	104.003468	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2Na"	45.978436
"1404503"	69.671404	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H+2Na"	46.985712
"1433340"	209.041246	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H+HCOOH"	47.012746
"232878"	190.05074	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+3H2O+2H"	56.04448
"1520940"	223.09329	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+IsoProp+H"	61.06479
"415159"	193.004688	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+Na+K"	61.952376
"777247"	274.018938	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+Na+K"	61.952376
"1673579"	111.990438	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Na+K"	61.952376
"261190"	388.072768	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+ACN+Na"	64.015768
"1236087"	226.044268	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+ACN+Na"	64.015768
"1723880"	226.067793	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+NH4+HCOOH"	64.039293
"1189234"	76.998718	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+3Na"	68.967654
"1653661"	231.023188	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Na+HCOOH"	68.994688
"164896"	400.97604	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+2K-H"	76.91904
"608830"	563.00454	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+2K-H"	76.91904
"1096622"	238.94754	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2K-H"	76.91904
"154535"	200.991658	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"2M+2K"	77.926316
"591911"	282.005908	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"3M+2K"	77.926316
"1073140"	119.977408	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2K"	77.926316
"1109633"	240.962092	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2K+H"	78.933592
"1343832"	241.049707	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+DMSO+H"	79.021207
"1012362"	245.088876	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2ACN+H"	83.060376
"1532679"	246.082508	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+IsoProp+Na+H"	84.054008
"995847"	123.048076	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+2ACN+2H"	84.067652
"1593631"	246.997128	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+K+HCOOH"	84.968628
"1424759"	277.028638	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+H+CF3COOH"	115.000138
"1161609"	143.561351	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+3ACN+2H"	125.094202
"1704598"	294.055185	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+NH4+CF3COOH"	132.026685
"1639156"	299.01058	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+Na+CF3COOH"	136.98208
"1586838"	314.98452	"C18457"	"Dazomet"	"C5H10N2S2"	"162.0285"	"M+K+CF3COOH"	152.95602
"816236"	254.0014	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M"	0
"978709"	234.98301	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-H2O-H"	-19.01839
"70231"	168.326990666667	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M-3H"	-3.021828
"507603"	252.994124	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M-3H"	-3.021828
"883220"	83.6598573333333	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-3H"	-3.021828
"6170"	252.994124	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M-2H"	-2.014552
"445728"	379.994824	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M-2H"	-2.014552
"820248"	125.993424	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-2H"	-2.014552
"83525"	506.995524	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M-H"	-1.007276
"525278"	760.996924	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M-H"	-1.007276
"898703"	252.994124	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-H"	-1.007276
"49796"	524.022071	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M-2H+NH4"	16.019271
"490451"	778.023471	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M-2H+NH4"	16.019271
"866066"	270.020671	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-2H+NH4"	16.019271
"33968"	528.977466	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M-2H+Na"	20.974666
"482281"	782.978866	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M-2H+Na"	20.974666
"863123"	274.976066	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-2H+Na"	20.974666
"1626339"	274.976066	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Na-2H"	20.974666
"102869"	270.982463	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M-H+Cl"	33.962126
"541336"	397.983163	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M-H+Cl"	33.962126
"933756"	143.981763	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-H+Cl"	33.962126
"274502"	542.972202	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+Cl"	34.969402
"666193"	796.973602	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+Cl"	34.969402
"1277138"	288.970802	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Cl"	34.969402
"20787"	544.951406	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M-2H+K"	36.948606
"462534"	798.952806	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M-2H+K"	36.948606
"840336"	290.950006	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-2H+K"	36.948606
"1562729"	290.950006	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+K-2H"	36.948606
"950612"	298.999594	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-H+HCOOH"	44.998194
"362263"	553.001001	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+HCOOH-H"	44.998201
"347239"	567.016651	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+Hac-H"	59.013851
"1496076"	313.015251	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Hac-H"	59.013851
"959974"	320.981551	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-H+NaCOOH"	66.980151
"122010"	288.970802	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+2Cl"	69.938804
"560840"	415.971502	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+2Cl"	69.938804
"1031828"	161.970102	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2Cl"	69.938804
"1251406"	332.920285	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Br"	78.918885
"1313856"	334.976272	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Cl+HCOOH"	80.974872
"1325885"	356.958229	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Cl+NaCOOH"	102.956829
"915847"	366.986986	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M-H+CF3COOH"	112.985586
"1293650"	402.963664	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Cl+CF3COOH"	148.962264
"1372903"	218.988724	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H-2H2O"	-35.012676
"1391128"	236.9987	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H-H2O"	-17.0027
"285713"	509.010076	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+H"	1.007276
"676675"	763.011476	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+H"	1.007276
"1352656"	255.008676	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H"	1.007276
"126401"	255.008676	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+2H"	2.014552
"572400"	382.009376	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+2H"	2.014552
"1048128"	128.007976	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2H"	2.014552
"214571"	170.341542666667	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+3H"	3.021828
"655223"	255.008676	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+3H"	3.021828
"1170070"	85.6744093333333	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+3H"	3.021828
"432248"	526.036623	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+NH4"	18.033823
"789962"	780.038023	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+NH4"	18.033823
"1687386"	272.035223	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+NH4"	18.033823
"330320"	263.5219495	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+H+NH4"	19.041099
"723142"	390.5226495	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+H+NH4"	19.041099
"1477290"	136.5212495	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H+NH4"	19.041099
"392862"	530.992018	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+Na"	22.989218
"754301"	784.993418	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+Na"	22.989218
"1602833"	276.990618	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Na"	22.989218
"314410"	265.999647	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+H+Na"	23.996494
"708857"	393.000347	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+H+Na"	23.996494
"1461390"	138.998947	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H+Na"	23.996494
"1056293"	93.0017233333333	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2H+Na"	25.00377
"1258335"	287.034886	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+CH3OH+H"	33.033486
"379465"	546.965958	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+K"	38.963158
"741188"	800.967358	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+K"	38.963158
"1541419"	292.964558	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+K"	38.963158
"300057"	273.986617	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+H+K"	39.970434
"699769"	400.987317	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+H+K"	39.970434
"1455777"	146.985917	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H+K"	39.970434
"241098"	550.036626	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+ACN+H"	42.033826
"1217088"	296.035226	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+ACN+H"	42.033826
"1207169"	148.521251	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+ACN+2H"	43.041102
"197123"	552.97396	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+2Na-H"	44.97116
"635590"	806.97536	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+2Na-H"	44.97116
"1132049"	298.97256	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2Na-H"	44.97116
"183483"	276.990618	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+2Na"	45.978436
"625233"	403.991318	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+2Na"	45.978436
"1129109"	149.989918	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2Na"	45.978436
"1411173"	100.329037333333	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H+2Na"	46.985712
"1442197"	301.014146	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H+HCOOH"	47.012746
"227520"	282.02364	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+3H2O+2H"	56.04448
"1516676"	315.06619	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+IsoProp+H"	61.06479
"415269"	284.977588	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+Na+K"	61.952376
"777358"	411.978288	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+Na+K"	61.952376
"1678062"	157.976888	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Na+K"	61.952376
"262393"	572.018568	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+ACN+Na"	64.015768
"1234009"	318.017168	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+ACN+Na"	64.015768
"1721803"	318.040693	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+NH4+HCOOH"	64.039293
"1192624"	107.656351333333	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+3Na"	68.967654
"1659238"	322.996088	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Na+HCOOH"	68.994688
"165006"	584.92184	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+2K-H"	76.91904
"605660"	838.92324	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+2K-H"	76.91904
"1093452"	330.92044	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2K-H"	76.91904
"153552"	292.964558	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"2M+2K"	77.926316
"592021"	419.965258	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"3M+2K"	77.926316
"1073250"	165.963858	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2K"	77.926316
"1111930"	332.934992	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2K+H"	78.933592
"1340660"	333.022607	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+DMSO+H"	79.021207
"1011379"	337.061776	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2ACN+H"	83.060376
"1530602"	338.055408	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+IsoProp+Na+H"	84.054008
"997051"	169.034526	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+2ACN+2H"	84.067652
"1593741"	338.970028	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+K+HCOOH"	84.968628
"1425961"	369.001538	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+H+CF3COOH"	115.000138
"1159533"	189.547801	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+3ACN+2H"	125.094202
"1701428"	386.028085	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+NH4+CF3COOH"	132.026685
"1639266"	390.98348	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+Na+CF3COOH"	136.98208
"1586948"	406.95742	"C18458"	"Diclomezine"	"C11H8Cl2N2O"	"254.0014"	"M+K+CF3COOH"	152.95602
"810756"	405.0647	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M"	0
"976633"	386.04631	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-H2O-H"	-19.01839
"74719"	269.035857333333	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M-3H"	-3.021828
"510998"	404.057424	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M-3H"	-3.021828
"880170"	134.014290666667	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-3H"	-3.021828
"815"	404.057424	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M-2H"	-2.014552
"441467"	606.589774	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M-2H"	-2.014552
"817234"	201.525074	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-2H"	-2.014552
"91293"	809.122124	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M-H"	-1.007276
"523200"	1214.186824	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M-H"	-1.007276
"898813"	404.057424	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-H"	-1.007276
"47962"	826.148671	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M-2H+NH4"	16.019271
"487886"	1231.213371	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M-2H+NH4"	16.019271
"864753"	421.083971	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-2H+NH4"	16.019271
"40643"	831.104066	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M-2H+Na"	20.974666
"486975"	1236.168766	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M-2H+Na"	20.974666
"862384"	426.039366	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-2H+Na"	20.974666
"1629730"	426.039366	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Na-2H"	20.974666
"104070"	422.045763	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M-H+Cl"	33.962126
"540348"	624.578113	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M-H+Cl"	33.962126
"933133"	219.513413	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-H+Cl"	33.962126
"278981"	845.098802	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+Cl"	34.969402
"669217"	1250.163502	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+Cl"	34.969402
"1279433"	440.034102	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Cl"	34.969402
"27458"	847.078006	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M-2H+K"	36.948606
"463738"	1252.142706	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M-2H+K"	36.948606
"841539"	442.013306	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-2H+K"	36.948606
"1562839"	442.013306	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+K-2H"	36.948606
"945255"	450.062894	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-H+HCOOH"	44.998194
"362741"	855.127601	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+HCOOH-H"	44.998201
"351730"	869.143251	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+Hac-H"	59.013851
"1499469"	464.078551	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Hac-H"	59.013851
"967010"	472.044851	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-H+NaCOOH"	66.980151
"119930"	440.034102	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+2Cl"	69.938804
"562046"	642.566452	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+2Cl"	69.938804
"1029752"	237.501752	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2Cl"	69.938804
"1247143"	483.983585	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Br"	78.918885
"1313965"	486.039572	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Cl+HCOOH"	80.974872
"1325994"	508.021529	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Cl+NaCOOH"	102.956829
"920331"	518.050286	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M-H+CF3COOH"	112.985586
"1295945"	554.026964	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Cl+CF3COOH"	148.962264
"1370095"	370.052024	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H-2H2O"	-35.012676
"1385045"	388.062	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H-H2O"	-17.0027
"285823"	811.136676	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+H"	1.007276
"678244"	1216.201376	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+H"	1.007276
"1354595"	406.071976	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H"	1.007276
"129671"	406.071976	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+2H"	2.014552
"579076"	608.604326	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+2H"	2.014552
"1046781"	203.539626	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2H"	2.014552
"215410"	271.050409333333	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+3H"	3.021828
"648773"	406.071976	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+3H"	3.021828
"1163618"	136.028842666667	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+3H"	3.021828
"425798"	828.163223	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+NH4"	18.033823
"788980"	1233.227923	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+NH4"	18.033823
"1685314"	423.098523	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+NH4"	18.033823
"330076"	414.5852495	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+H+NH4"	19.041099
"723251"	617.1175995	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+H+NH4"	19.041099
"1477766"	212.0528995	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H+NH4"	19.041099
"393119"	833.118618	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+Na"	22.989218
"755861"	1238.183318	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+Na"	22.989218
"1605416"	428.053918	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Na"	22.989218
"317640"	417.062947	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+H+Na"	23.996494
"709332"	619.595297	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+H+Na"	23.996494
"1461935"	214.530597	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H+Na"	23.996494
"1060415"	143.356156666667	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2H+Na"	25.00377
"1260636"	438.098186	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+CH3OH+H"	33.033486
"379209"	849.092558	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+K"	38.963158
"741300"	1254.157258	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+K"	38.963158
"1541162"	444.027858	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+K"	38.963158
"299067"	425.049917	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+H+K"	39.970434
"691651"	627.582267	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+H+K"	39.970434
"1446765"	222.517567	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H+K"	39.970434
"237190"	852.163226	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+ACN+H"	42.033826
"1210022"	447.098526	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+ACN+H"	42.033826
"1194243"	224.052901	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+ACN+2H"	43.041102
"189087"	855.10056	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+2Na-H"	44.97116
"628766"	1260.16526	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+2Na-H"	44.97116
"1144315"	450.03586	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2Na-H"	44.97116
"183597"	428.053918	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+2Na"	45.978436
"628273"	630.586268	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+2Na"	45.978436
"1128855"	225.521568	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2Na"	45.978436
"1410192"	150.683470666667	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H+2Na"	46.985712
"1442307"	452.077446	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H+HCOOH"	47.012746
"232005"	433.08694	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+3H2O+2H"	56.04448
"1510226"	466.12949	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+IsoProp+H"	61.06479
"412099"	436.040888	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+Na+K"	61.952376
"774187"	638.573238	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+Na+K"	61.952376
"1671610"	233.508538	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Na+K"	61.952376
"261412"	874.145168	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+ACN+Na"	64.015768
"1233026"	469.080468	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+ACN+Na"	64.015768
"1718632"	469.103993	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+NH4+HCOOH"	64.039293
"1183988"	158.010784666667	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+3Na"	68.967654
"1656068"	474.059388	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Na+HCOOH"	68.994688
"166209"	887.04844	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+2K-H"	76.91904
"600301"	1292.11314	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+2K-H"	76.91904
"1096845"	481.98374	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2K-H"	76.91904
"151474"	444.027858	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"2M+2K"	77.926316
"584475"	646.560208	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"3M+2K"	77.926316
"1074456"	241.495508	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2K"	77.926316
"1108760"	483.998292	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2K+H"	78.933592
"1342965"	484.085907	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+DMSO+H"	79.021207
"1012587"	488.125076	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2ACN+H"	83.060376
"1536182"	489.118708	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+IsoProp+Na+H"	84.054008
"998256"	244.566176	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+2ACN+2H"	84.067652
"1591665"	490.033328	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+K+HCOOH"	84.968628
"1421700"	520.064838	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+H+CF3COOH"	115.000138
"1158550"	265.079451	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+3ACN+2H"	125.094202
"1708100"	537.091385	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+NH4+CF3COOH"	132.026685
"1640473"	542.04678	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+Na+CF3COOH"	136.98208
"1580497"	558.02072	"C18459"	"Difenoconazole"	"C19H17Cl2N3O3"	"405.0647"	"M+K+CF3COOH"	152.95602
"810861"	245.9188	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M"	0
"976743"	226.90041	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-H2O-H"	-19.01839
"68266"	162.938590666667	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M-3H"	-3.021828
"507828"	244.911524	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M-3H"	-3.021828
"880320"	80.9656573333333	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-3H"	-3.021828
"2018"	244.911524	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M-2H"	-2.014552
"440318"	367.870924	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M-2H"	-2.014552
"825942"	121.952124	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-2H"	-2.014552
"92622"	490.830324	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M-H"	-1.007276
"524403"	736.749124	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M-H"	-1.007276
"898194"	244.911524	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-H"	-1.007276
"52205"	507.856871	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M-2H+NH4"	16.019271
"489579"	753.775671	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M-2H+NH4"	16.019271
"866287"	261.938071	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-2H+NH4"	16.019271
"40753"	512.812266	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M-2H+Na"	20.974666
"484206"	758.731066	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M-2H+Na"	20.974666
"862373"	266.893466	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-2H+Na"	20.974666
"1626560"	266.893466	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Na-2H"	20.974666
"97984"	262.899863	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M-H+Cl"	33.962126
"542645"	385.859263	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M-H+Cl"	33.962126
"932881"	139.940463	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-H+Cl"	33.962126
"278000"	526.807002	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+Cl"	34.969402
"671514"	772.725802	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+Cl"	34.969402
"1283918"	280.888202	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Cl"	34.969402
"21008"	528.786206	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M-2H+K"	36.948606
"462756"	774.705006	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M-2H+K"	36.948606
"840557"	282.867406	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-2H+K"	36.948606
"1562949"	282.867406	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+K-2H"	36.948606
"946459"	290.916994	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-H+HCOOH"	44.998194
"363581"	536.835801	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+HCOOH-H"	44.998201
"352934"	550.851451	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+Hac-H"	59.013851
"1498487"	304.932651	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Hac-H"	59.013851
"967125"	312.898951	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-H+NaCOOH"	66.980151
"116031"	280.888202	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+2Cl"	69.938804
"563978"	403.847602	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+2Cl"	69.938804
"1027675"	157.928802	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2Cl"	69.938804
"1248348"	324.837685	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Br"	78.918885
"1312982"	326.893672	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Cl+HCOOH"	80.974872
"1330479"	348.875629	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Cl+NaCOOH"	102.956829
"922995"	358.904386	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M-H+CF3COOH"	112.985586
"1298243"	394.881064	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Cl+CF3COOH"	148.962264
"1373122"	210.906124	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H-2H2O"	-35.012676
"1391716"	228.9161	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H-H2O"	-17.0027
"289214"	492.844876	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+H"	1.007276
"678355"	738.763676	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+H"	1.007276
"1354705"	246.926076	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H"	1.007276
"128688"	246.926076	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+2H"	2.014552
"580522"	369.885476	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+2H"	2.014552
"1050171"	123.966676	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2H"	2.014552
"214791"	164.953142666667	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+3H"	3.021828
"656174"	246.926076	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+3H"	3.021828
"1173571"	82.9802093333333	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+3H"	3.021828
"437571"	509.871423	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+NH4"	18.033823
"792369"	755.790223	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+NH4"	18.033823
"1685060"	263.952623	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+NH4"	18.033823
"331151"	255.4393495	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+H+NH4"	19.041099
"722962"	378.3987495	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+H+NH4"	19.041099
"1478362"	132.4799495	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H+NH4"	19.041099
"393639"	514.826818	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+Na"	22.989218
"755121"	760.745618	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+Na"	22.989218
"1603948"	268.908018	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Na"	22.989218
"316656"	257.917047	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+H+Na"	23.996494
"709442"	380.876447	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+H+Na"	23.996494
"1465092"	134.957647	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H+Na"	23.996494
"1055055"	90.3075233333333	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2H+Na"	25.00377
"1260018"	278.952286	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+CH3OH+H"	33.033486
"379683"	530.800758	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+K"	38.963158
"741045"	776.719558	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+K"	38.963158
"1540218"	284.881958	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+K"	38.963158
"300269"	265.904017	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+H+K"	39.970434
"691515"	388.863417	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+H+K"	39.970434
"1446151"	142.944617	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H+K"	39.970434
"236575"	533.871426	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+ACN+H"	42.033826
"1211839"	287.952626	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+ACN+H"	42.033826
"1194625"	144.479951	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+ACN+2H"	43.041102
"188998"	536.80876	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+2Na-H"	44.97116
"630340"	782.72756	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+2Na-H"	44.97116
"1144425"	290.88996	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2Na-H"	44.97116
"184800"	268.908018	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+2Na"	45.978436
"627899"	391.867418	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+2Na"	45.978436
"1128723"	145.948618	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2Na"	45.978436
"1410302"	97.6348373333333	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H+2Na"	46.985712
"1443025"	292.931546	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H+HCOOH"	47.012746
"229924"	273.94104	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+3H2O+2H"	56.04448
"1519082"	306.98359	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+IsoProp+H"	61.06479
"415489"	276.894988	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+Na+K"	61.952376
"774296"	399.854388	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+Na+K"	61.952376
"1668440"	153.935588	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Na+K"	61.952376
"259335"	555.853368	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+ACN+Na"	64.015768
"1229855"	309.934568	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+ACN+Na"	64.015768
"1717648"	309.958093	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+NH4+HCOOH"	64.039293
"1185191"	104.962151333333	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+3Na"	68.967654
"1659458"	314.913488	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Na+HCOOH"	68.994688
"166319"	568.75664	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+2K-H"	76.91904
"599319"	814.67544	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+2K-H"	76.91904
"1096227"	322.83784	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2K-H"	76.91904
"149397"	284.881958	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"2M+2K"	77.926316
"584584"	407.841358	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"3M+2K"	77.926316
"1075659"	161.922558	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2K"	77.926316
"1109963"	324.852392	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2K+H"	78.933592
"1344165"	324.940007	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+DMSO+H"	79.021207
"1012697"	328.979176	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2ACN+H"	83.060376
"1534105"	329.972808	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+IsoProp+Na+H"	84.054008
"996179"	164.993226	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+2ACN+2H"	84.067652
"1592868"	330.887428	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+K+HCOOH"	84.968628
"1425090"	360.918938	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+H+CF3COOH"	115.000138
"1157567"	185.506501	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+3ACN+2H"	125.094202
"1707117"	377.945485	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+NH4+CF3COOH"	132.026685
"1639490"	382.90088	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+Na+CF3COOH"	136.98208
"1577327"	398.87482	"C18460"	"Echlomezole;Etridiazole"	"C5H5Cl3N2OS"	"245.9188"	"M+K+CF3COOH"	152.95602
"807691"	336.1142	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M"	0
"974907"	317.09581	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-H2O-H"	-19.01839
"63148"	223.068857333333	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M-3H"	-3.021828
"509031"	335.106924	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M-3H"	-3.021828
"880143"	111.030790666667	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-3H"	-3.021828
"3221"	335.106924	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M-2H"	-2.014552
"442781"	503.164024	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M-2H"	-2.014552
"826052"	167.049824	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-2H"	-2.014552
"92975"	671.221124	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M-H"	-1.007276
"524513"	1007.335324	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M-H"	-1.007276
"899034"	335.106924	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-H"	-1.007276
"52315"	688.247671	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M-2H+NH4"	16.019271
"490783"	1024.361871	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M-2H+NH4"	16.019271
"867490"	352.133471	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-2H+NH4"	16.019271
"40863"	693.203066	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M-2H+Na"	20.974666
"485896"	1029.317266	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M-2H+Na"	20.974666
"862604"	357.088866	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-2H+Na"	20.974666
"1623754"	357.088866	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Na-2H"	20.974666
"97365"	353.095263	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M-H+Cl"	33.962126
"542755"	521.152363	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M-H+Cl"	33.962126
"934084"	185.038163	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-H+Cl"	33.962126
"278110"	707.197802	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+Cl"	34.969402
"671624"	1043.312002	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+Cl"	34.969402
"1279654"	371.083602	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Cl"	34.969402
"20024"	709.177006	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M-2H+K"	36.948606
"462866"	1045.291206	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M-2H+K"	36.948606
"837387"	373.062806	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-2H+K"	36.948606
"1558320"	373.062806	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+K-2H"	36.948606
"945109"	381.112394	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-H+HCOOH"	44.998194
"362959"	717.226601	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+HCOOH-H"	44.998201
"349763"	731.242251	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+Hac-H"	59.013851
"1495317"	395.128051	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Hac-H"	59.013851
"967235"	403.094351	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-H+NaCOOH"	66.980151
"116141"	371.083602	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+2Cl"	69.938804
"561901"	539.140702	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+2Cl"	69.938804
"1027785"	203.026502	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2Cl"	69.938804
"1248458"	415.033085	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Br"	78.918885
"1309812"	417.089072	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Cl+HCOOH"	80.974872
"1332776"	439.071029	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Cl+NaCOOH"	102.956829
"926020"	449.099786	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M-H+CF3COOH"	112.985586
"1299446"	485.076464	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Cl+CF3COOH"	148.962264
"1375419"	301.101524	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H-2H2O"	-35.012676
"1391826"	319.1115	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H-H2O"	-17.0027
"292604"	673.235676	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+H"	1.007276
"681745"	1009.349876	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+H"	1.007276
"1355908"	337.121476	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H"	1.007276
"128798"	337.121476	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+2H"	2.014552
"580999"	505.178576	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+2H"	2.014552
"1052348"	169.064376	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2H"	2.014552
"215630"	225.083409333333	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+3H"	3.021828
"658107"	337.121476	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+3H"	3.021828
"1170398"	113.045342666667	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+3H"	3.021828
"433672"	690.262223	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+NH4"	18.033823
"791386"	1026.376423	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+NH4"	18.033823
"1684806"	354.148023	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+NH4"	18.033823
"331261"	345.6347495	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+H+NH4"	19.041099
"723068"	513.6918495	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+H+NH4"	19.041099
"1478230"	177.5776495	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H+NH4"	19.041099
"393751"	695.217618	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+Na"	22.989218
"754989"	1031.331818	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+Na"	22.989218
"1604543"	359.103418	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Na"	22.989218
"316401"	348.112447	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+H+Na"	23.996494
"710282"	516.169547	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+H+Na"	23.996494
"1465202"	180.055347	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H+Na"	23.996494
"1055166"	120.372656666667	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2H+Na"	25.00377
"1262315"	369.147686	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+CH3OH+H"	33.033486
"378822"	711.191558	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+K"	38.963158
"740791"	1047.305758	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+K"	38.963158
"1540534"	375.077358	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+K"	38.963158
"299652"	356.099417	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+H+K"	39.970434
"691467"	524.156517	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+H+K"	39.970434
"1448084"	188.042317	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H+K"	39.970434
"238509"	714.262226	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+ACN+H"	42.033826
"1213407"	378.148026	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+ACN+H"	42.033826
"1198018"	189.577651	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+ACN+2H"	43.041102
"190889"	717.19956	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+2Na-H"	44.97116
"629356"	1053.31376	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+2Na-H"	44.97116
"1143806"	381.08536	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2Na-H"	44.97116
"181631"	359.103418	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+2Na"	45.978436
"627276"	527.160518	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+2Na"	45.978436
"1130174"	191.046318	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2Na"	45.978436
"1407132"	127.699970666667	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H+2Na"	46.985712
"1442162"	383.126946	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H+HCOOH"	47.012746
"227847"	364.13644	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+3H2O+2H"	56.04448
"1518827"	397.17899	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+IsoProp+H"	61.06479
"416691"	367.090388	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+Na+K"	61.952376
"775499"	535.147488	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+Na+K"	61.952376
"1669643"	199.033288	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Na+K"	61.952376
"260538"	736.244168	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+ACN+Na"	64.015768
"1231058"	400.129968	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+ACN+Na"	64.015768
"1718851"	400.153493	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+NH4+HCOOH"	64.039293
"1185301"	135.027284666667	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+3Na"	68.967654
"1655194"	405.108888	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Na+HCOOH"	68.994688
"163149"	749.14744	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+2K-H"	76.91904
"599428"	1085.26164	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+2K-H"	76.91904
"1097064"	413.03324	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2K-H"	76.91904
"149507"	375.077358	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"2M+2K"	77.926316
"581571"	543.134458	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"3M+2K"	77.926316
"1068637"	207.020258	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2K"	77.926316
"1108979"	415.047792	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2K+H"	78.933592
"1343182"	415.135407	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+DMSO+H"	79.021207
"1013900"	419.174576	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2ACN+H"	83.060376
"1534215"	420.168208	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+IsoProp+Na+H"	84.054008
"997383"	210.090926	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+2ACN+2H"	84.067652
"1591885"	421.082828	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+K+HCOOH"	84.968628
"1426293"	451.114338	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+H+CF3COOH"	115.000138
"1158770"	230.604201	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+3ACN+2H"	125.094202
"1707227"	468.140885	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+NH4+CF3COOH"	132.026685
"1643973"	473.09628	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+Na+CF3COOH"	136.98208
"1577437"	489.07022	"C18461"	"Fenbuconazole"	"C19H17ClN4"	"336.1142"	"M+K+CF3COOH"	152.95602
"807801"	248.0397	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M"	0
"974652"	229.02131	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-H2O-H"	-19.01839
"64111"	164.352524	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M-3H"	-3.021828
"509141"	247.032424	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M-3H"	-3.021828
"880865"	81.672624	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-3H"	-3.021828
"3331"	247.032424	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M-2H"	-2.014552
"442891"	371.052274	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M-2H"	-2.014552
"826162"	123.012574	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-2H"	-2.014552
"93693"	495.072124	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M-H"	-1.007276
"527903"	743.111824	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M-H"	-1.007276
"902424"	247.032424	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-H"	-1.007276
"52425"	512.098671	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M-2H+NH4"	16.019271
"489799"	760.138371	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M-2H+NH4"	16.019271
"867600"	264.058971	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-2H+NH4"	16.019271
"40973"	517.054066	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M-2H+Na"	20.974666
"486373"	765.093766	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M-2H+Na"	20.974666
"859432"	269.014366	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-2H+Na"	20.974666
"1630058"	269.014366	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Na-2H"	20.974666
"100391"	265.020763	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M-H+Cl"	33.962126
"545052"	389.040613	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M-H+Cl"	33.962126
"933100"	141.000913	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-H+Cl"	33.962126
"273845"	531.048802	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+Cl"	34.969402
"670641"	779.088502	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+Cl"	34.969402
"1280857"	283.009102	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Cl"	34.969402
"21227"	533.028006	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M-2H+K"	36.948606
"462976"	781.067706	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M-2H+K"	36.948606
"838590"	284.988306	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-2H+K"	36.948606
"1559161"	284.988306	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+K-2H"	36.948606
"945217"	293.037894	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-H+HCOOH"	44.998194
"362338"	541.077601	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+HCOOH-H"	44.998201
"350966"	555.093251	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+Hac-H"	59.013851
"1495427"	307.053551	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Hac-H"	59.013851
"960048"	315.019851	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-H+NaCOOH"	66.980151
"116251"	283.009102	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+2Cl"	69.938804
"562376"	407.028952	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+2Cl"	69.938804
"1034090"	158.989252	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2Cl"	69.938804
"1251848"	326.958585	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Br"	78.918885
"1313203"	329.014572	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Cl+HCOOH"	80.974872
"1331793"	350.996529	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Cl+NaCOOH"	102.956829
"923944"	361.025286	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M-H+CF3COOH"	112.985586
"1300652"	397.001964	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Cl+CF3COOH"	148.962264
"1378810"	213.027024	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H-2H2O"	-35.012676
"1391936"	231.037	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H-H2O"	-17.0027
"292714"	497.086676	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+H"	1.007276
"682949"	745.126376	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+H"	1.007276
"1356018"	249.046976	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H"	1.007276
"128908"	249.046976	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+2H"	2.014552
"581032"	373.066826	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+2H"	2.014552
"1052707"	125.027126	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2H"	2.014552
"216105"	166.367076	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+3H"	3.021828
"656031"	249.046976	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+3H"	3.021828
"1169415"	83.687176	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+3H"	3.021828
"434876"	514.113223	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+NH4"	18.033823
"796965"	762.152923	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+NH4"	18.033823
"1691108"	266.073523	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+NH4"	18.033823
"330399"	257.5602495	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+H+NH4"	19.041099
"723543"	381.5800995	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+H+NH4"	19.041099
"1477977"	133.5403995	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H+NH4"	19.041099
"394467"	519.068618	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+Na"	22.989218
"755827"	767.108318	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+Na"	22.989218
"1603923"	271.028918	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Na"	22.989218
"317604"	260.037947	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+H+Na"	23.996494
"709303"	384.057797	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+H+Na"	23.996494
"1464219"	136.018097	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H+Na"	23.996494
"1058558"	91.01449	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2H+Na"	25.00377
"1260238"	281.073186	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+CH3OH+H"	33.033486
"377840"	535.042558	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+K"	38.963158
"740050"	783.082258	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+K"	38.963158
"1541006"	287.002858	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+K"	38.963158
"299277"	268.024917	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+H+K"	39.970434
"693643"	392.044767	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+H+K"	39.970434
"1448923"	144.005067	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H+K"	39.970434
"240441"	538.113226	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+ACN+H"	42.033826
"1217525"	290.073526	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+ACN+H"	42.033826
"1204688"	145.540401	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+ACN+2H"	43.041102
"193185"	541.05056	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+2Na-H"	44.97116
"631651"	789.09026	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+2Na-H"	44.97116
"1142823"	293.01086	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2Na-H"	44.97116
"181741"	271.028918	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+2Na"	45.978436
"626043"	395.048768	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+2Na"	45.978436
"1125902"	147.009068	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2Na"	45.978436
"1409429"	98.341804	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H+2Na"	46.985712
"1443366"	295.052446	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H+HCOOH"	47.012746
"230146"	276.06194	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+3H2O+2H"	56.04448
"1514927"	309.10449	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+IsoProp+H"	61.06479
"413521"	279.015888	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+Na+K"	61.952376
"777796"	403.035738	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+Na+K"	61.952376
"1669753"	154.996038	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Na+K"	61.952376
"257368"	560.095168	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+ACN+Na"	64.015768
"1230076"	312.055468	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+ACN+Na"	64.015768
"1713858"	312.078993	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+NH4+HCOOH"	64.039293
"1185411"	105.669118	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+3Na"	68.967654
"1655304"	317.034388	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Na+HCOOH"	68.994688
"162165"	572.99844	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+2K-H"	76.91904
"598566"	821.03814	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+2K-H"	76.91904
"1093894"	324.95874	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2K-H"	76.91904
"149617"	287.002858	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"2M+2K"	77.926316
"584069"	411.022708	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"3M+2K"	77.926316
"1069194"	162.983008	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2K"	77.926316
"1109089"	326.973292	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2K+H"	78.933592
"1341106"	327.060907	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+DMSO+H"	79.021207
"1014010"	331.100076	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2ACN+H"	83.060376
"1533232"	332.093708	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+IsoProp+Na+H"	84.054008
"1000773"	166.053676	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+2ACN+2H"	84.067652
"1595276"	333.008328	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+K+HCOOH"	84.968628
"1422028"	363.039838	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+H+CF3COOH"	115.000138
"1161066"	186.566951	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+3ACN+2H"	125.094202
"1708430"	380.066385	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+NH4+CF3COOH"	132.026685
"1646270"	385.02178	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+Na+CF3COOH"	136.98208
"1577547"	400.99572	"C18462"	"Fludioxonil"	"C12H6F2N2O2"	"248.0397"	"M+K+CF3COOH"	152.95602
"807911"	229.0463	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M"	0
"974762"	210.02791	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-H2O-H"	-19.01839
"63969"	151.690257333333	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M-3H"	-3.021828
"509251"	228.039024	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M-3H"	-3.021828
"880732"	75.3414906666667	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-3H"	-3.021828
"2348"	228.039024	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M-2H"	-2.014552
"441179"	342.562174	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M-2H"	-2.014552
"826272"	113.515874	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-2H"	-2.014552
"93439"	457.085324	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M-H"	-1.007276
"528014"	686.131624	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M-H"	-1.007276
"904721"	228.039024	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-H"	-1.007276
"51442"	474.111871	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M-2H+NH4"	16.019271
"489909"	703.158171	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M-2H+NH4"	16.019271
"866981"	245.065571	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-2H+NH4"	16.019271
"41083"	479.067266	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M-2H+Na"	20.974666
"483927"	708.113566	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M-2H+Na"	20.974666
"861729"	250.020966	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-2H+Na"	20.974666
"1624700"	250.020966	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Na-2H"	20.974666
"101229"	246.027363	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M-H+Cl"	33.962126
"541882"	360.550513	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M-H+Cl"	33.962126
"931023"	131.504213	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-H+Cl"	33.962126
"275049"	493.062002	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+Cl"	34.969402
"668564"	722.108302	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+Cl"	34.969402
"1278781"	264.015702	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Cl"	34.969402
"21338"	495.041206	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M-2H+K"	36.948606
"461992"	724.087506	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M-2H+K"	36.948606
"840886"	265.994906	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-2H+K"	36.948606
"1558178"	265.994906	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+K-2H"	36.948606
"944358"	274.044494	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-H+HCOOH"	44.998194
"363546"	503.090801	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+HCOOH-H"	44.998201
"347796"	517.106451	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+Hac-H"	59.013851
"1494444"	288.060151	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Hac-H"	59.013851
"959671"	296.026451	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-H+NaCOOH"	66.980151
"116361"	264.015702	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+2Cl"	69.938804
"560298"	378.538852	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+2Cl"	69.938804
"1031284"	149.492552	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2Cl"	69.938804
"1255239"	307.965185	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Br"	78.918885
"1314407"	310.021172	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Cl+HCOOH"	80.974872
"1334821"	332.003129	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Cl+NaCOOH"	102.956829
"925150"	342.031886	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M-H+CF3COOH"	112.985586
"1302586"	378.008564	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Cl+CF3COOH"	148.962264
"1377828"	194.033624	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H-2H2O"	-35.012676
"1393140"	212.0436	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H-H2O"	-17.0027
"296104"	459.099876	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+H"	1.007276
"688526"	688.146176	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+H"	1.007276
"1357222"	230.053576	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H"	1.007276
"133392"	230.053576	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+2H"	2.014552
"580609"	344.576726	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+2H"	2.014552
"1052413"	115.530426	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2H"	2.014552
"219497"	153.704809333333	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+3H"	3.021828
"656141"	230.053576	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+3H"	3.021828
"1169525"	77.3560426666667	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+3H"	3.021828
"432798"	476.126423	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+NH4"	18.033823
"795981"	705.172723	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+NH4"	18.033823
"1693405"	247.080123	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+NH4"	18.033823
"334030"	238.5668495	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+H+NH4"	19.041099
"730096"	353.0899995	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+H+NH4"	19.041099
"1485739"	124.0436995	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H+NH4"	19.041099
"400045"	481.081818	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+Na"	22.989218
"754718"	710.128118	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+Na"	22.989218
"1604640"	252.035518	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Na"	22.989218
"316258"	241.044547	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+H+Na"	23.996494
"709773"	355.567697	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+H+Na"	23.996494
"1465421"	126.521397	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H+Na"	23.996494
"1056481"	84.6833566666667	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2H+Na"	25.00377
"1260348"	262.079786	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+CH3OH+H"	33.033486
"377950"	497.055758	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+K"	38.963158
"739065"	726.102058	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+K"	38.963158
"1542330"	268.009458	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+K"	38.963158
"299874"	249.031517	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+H+K"	39.970434
"694846"	363.554667	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+H+K"	39.970434
"1449762"	134.508367	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H+K"	39.970434
"243831"	500.126426	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+ACN+H"	42.033826
"1218728"	271.080126	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+ACN+H"	42.033826
"1206984"	136.043701	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+ACN+2H"	43.041102
"191109"	503.06376	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+2Na-H"	44.97116
"631763"	732.11006	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+2Na-H"	44.97116
"1138558"	274.01746	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2Na-H"	44.97116
"180758"	252.035518	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+2Na"	45.978436
"624331"	366.558668	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+2Na"	45.978436
"1124919"	137.512368	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2Na"	45.978436
"1413714"	92.0106706666667	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H+2Na"	46.985712
"1442383"	276.059046	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H+HCOOH"	47.012746
"229161"	257.06854	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+3H2O+2H"	56.04448
"1516130"	290.11109	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+IsoProp+H"	61.06479
"413630"	260.022488	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+Na+K"	61.952376
"772438"	374.545638	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+Na+K"	61.952376
"1668770"	145.499338	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Na+K"	61.952376
"257478"	522.108368	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+ACN+Na"	64.015768
"1231280"	293.062068	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+ACN+Na"	64.015768
"1714698"	293.085593	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+NH4+HCOOH"	64.039293
"1183334"	99.3379846666667	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+3Na"	68.967654
"1655414"	298.040988	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Na+HCOOH"	68.994688
"160088"	535.01164	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+2K-H"	76.91904
"599769"	764.05794	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+2K-H"	76.91904
"1090723"	305.96534	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2K-H"	76.91904
"145353"	268.009458	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"2M+2K"	77.926316
"583573"	382.532608	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"3M+2K"	77.926316
"1069424"	153.486308	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2K"	77.926316
"1101416"	307.979892	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2K+H"	78.933592
"1335981"	308.067507	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+DMSO+H"	79.021207
"1006573"	312.106676	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2ACN+H"	83.060376
"1533342"	313.100308	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+IsoProp+Na+H"	84.054008
"996506"	156.556976	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+2ACN+2H"	84.067652
"1592105"	314.014928	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+K+HCOOH"	84.968628
"1421044"	344.046438	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+H+CF3COOH"	115.000138
"1157896"	177.070251	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+3ACN+2H"	125.094202
"1707447"	361.072985	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+NH4+CF3COOH"	132.026685
"1646380"	366.02838	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+Na+CF3COOH"	136.98208
"1577657"	382.00232	"C18463"	"Flonicamid"	"C9H6F3N3O"	"229.0463"	"M+K+CF3COOH"	152.95602
"808021"	381.9654	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M"	0
"976453"	362.94701	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-H2O-H"	-19.01839
"67611"	253.636324	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M-3H"	-3.021828
"506077"	380.958124	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M-3H"	-3.021828
"881690"	126.314524	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-3H"	-3.021828
"3549"	380.958124	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M-2H"	-2.014552
"445297"	571.940824	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M-2H"	-2.014552
"825286"	189.975424	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-2H"	-2.014552
"93304"	762.923524	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M-H"	-1.007276
"528853"	1144.888924	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M-H"	-1.007276
"904831"	380.958124	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-H"	-1.007276
"51552"	779.950071	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M-2H+NH4"	16.019271
"490019"	1161.915471	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M-2H+NH4"	16.019271
"867821"	397.984671	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-2H+NH4"	16.019271
"41193"	784.905466	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M-2H+Na"	20.974666
"486874"	1166.870866	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M-2H+Na"	20.974666
"862931"	402.940066	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-2H+Na"	20.974666
"1626996"	402.940066	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Na-2H"	20.974666
"101338"	398.946463	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M-H+Cl"	33.962126
"539805"	589.929163	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M-H+Cl"	33.962126
"936599"	207.963763	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-H+Cl"	33.962126
"278438"	798.900202	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+Cl"	34.969402
"671952"	1180.865602	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+Cl"	34.969402
"1275610"	416.934802	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Cl"	34.969402
"24729"	800.879406	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M-2H+K"	36.948606
"461009"	1182.844806	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M-2H+K"	36.948606
"845370"	418.914006	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-2H+K"	36.948606
"1563389"	418.914006	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+K-2H"	36.948606
"944712"	426.963594	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-H+HCOOH"	44.998194
"367301"	808.929001	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+HCOOH-H"	44.998201
"351186"	822.944651	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+Hac-H"	59.013851
"1497834"	440.979251	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Hac-H"	59.013851
"962092"	448.945551	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-H+NaCOOH"	66.980151
"117564"	416.934802	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+2Cl"	69.938804
"561137"	607.917502	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+2Cl"	69.938804
"1035039"	225.952102	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2Cl"	69.938804
"1256947"	460.884285	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Br"	78.918885
"1317797"	462.940272	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Cl+HCOOH"	80.974872
"1335578"	484.922229	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Cl+NaCOOH"	102.956829
"926354"	494.950986	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M-H+CF3COOH"	112.985586
"1303666"	530.927664	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Cl+CF3COOH"	148.962264
"1379761"	346.952724	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H-2H2O"	-35.012676
"1396530"	364.9627	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H-H2O"	-17.0027
"298338"	764.938076	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+H"	1.007276
"689731"	1146.903476	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+H"	1.007276
"1364258"	382.972676	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H"	1.007276
"136782"	382.972676	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+2H"	2.014552
"581338"	573.955376	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+2H"	2.014552
"1052728"	191.989976	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2H"	2.014552
"219729"	255.650876	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+3H"	3.021828
"654793"	382.972676	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+3H"	3.021828
"1171822"	128.329076	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+3H"	3.021828
"432908"	781.964623	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+NH4"	18.033823
"799372"	1163.930023	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+NH4"	18.033823
"1693515"	399.999223	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+NH4"	18.033823
"337421"	391.4859495	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+H+NH4"	19.041099
"732029"	582.4686495	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+H+NH4"	19.041099
"1490590"	200.5032495	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H+NH4"	19.041099
"405622"	786.920018	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+Na"	22.989218
"758964"	1168.885418	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+Na"	22.989218
"1612530"	404.954618	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Na"	22.989218
"320382"	393.963647	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+H+Na"	23.996494
"713897"	584.946347	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+H+Na"	23.996494
"1467352"	202.980947	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H+Na"	23.996494
"1057684"	135.65639	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2H+Na"	25.00377
"1261551"	414.998886	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+CH3OH+H"	33.033486
"380126"	802.893958	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+K"	38.963158
"741123"	1184.859358	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+K"	38.963158
"1544268"	420.928558	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+K"	38.963158
"309098"	401.950617	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+H+K"	39.970434
"703705"	592.933317	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+H+K"	39.970434
"1457528"	210.967917	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H+K"	39.970434
"245036"	805.964626	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+ACN+H"	42.033826
"1221025"	423.999226	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+ACN+H"	42.033826
"1205640"	212.503251	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+ACN+2H"	43.041102
"196686"	808.90196	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+2Na-H"	44.97116
"639163"	1190.86736	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+2Na-H"	44.97116
"1141948"	426.93656	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2Na-H"	44.97116
"181961"	404.954618	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+2Na"	45.978436
"625170"	595.937318	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+2Na"	45.978436
"1127216"	213.971918	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2Na"	45.978436
"1414100"	142.983704	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H+2Na"	46.985712
"1444316"	428.978146	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H+HCOOH"	47.012746
"230730"	409.98764	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+3H2O+2H"	56.04448
"1516242"	443.03019	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+IsoProp+H"	61.06479
"412648"	412.941588	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+Na+K"	61.952376
"774735"	603.924288	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+Na+K"	61.952376
"1669974"	221.958888	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Na+K"	61.952376
"257588"	827.946568	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+ACN+Na"	64.015768
"1231390"	445.981168	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+ACN+Na"	64.015768
"1718088"	446.004693	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+NH4+HCOOH"	64.039293
"1186724"	150.311018	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+3Na"	68.967654
"1658805"	450.960088	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Na+HCOOH"	68.994688
"164572"	840.84984	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+2K-H"	76.91904
"601946"	1222.81524	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+2K-H"	76.91904
"1091927"	458.88444	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2K-H"	76.91904
"152024"	420.928558	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"2M+2K"	77.926316
"584655"	611.911258	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"3M+2K"	77.926316
"1070022"	229.945858	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2K"	77.926316
"1102744"	460.898992	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2K+H"	78.933592
"1336212"	460.986607	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+DMSO+H"	79.021207
"1006563"	465.025776	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2ACN+H"	83.060376
"1534545"	466.019408	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+IsoProp+Na+H"	84.054008
"997709"	233.016526	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+2ACN+2H"	84.067652
"1591122"	466.934028	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+K+HCOOH"	84.968628
"1422247"	496.965538	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+H+CF3COOH"	115.000138
"1159100"	253.529801	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+3ACN+2H"	125.094202
"1707557"	513.992085	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+NH4+CF3COOH"	132.026685
"1643210"	518.94748	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+Na+CF3COOH"	136.98208
"1577767"	534.92142	"C18464"	"Fluopicolide"	"C14H8Cl3F3N2O"	"381.9654"	"M+K+CF3COOH"	152.95602
"808131"	312.1086	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M"	0
"976199"	293.09021	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-H2O-H"	-19.01839
"62886"	207.065124	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M-3H"	-3.021828
"502925"	311.101324	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M-3H"	-3.021828
"880707"	103.028924	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-3H"	-3.021828
"17"	311.101324	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M-2H"	-2.014552
"445408"	467.155624	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M-2H"	-2.014552
"822117"	155.047024	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-2H"	-2.014552
"89768"	623.209924	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M-H"	-1.007276
"526046"	935.318524	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M-H"	-1.007276
"902754"	311.101324	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-H"	-1.007276
"48503"	640.236471	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M-2H+NH4"	16.019271
"489036"	952.345071	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M-2H+NH4"	16.019271
"864772"	328.127871	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-2H+NH4"	16.019271
"43490"	645.191866	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M-2H+Na"	20.974666
"484877"	957.300466	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M-2H+Na"	20.974666
"859761"	333.083266	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-2H+Na"	20.974666
"1627106"	333.083266	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Na-2H"	20.974666
"98167"	329.089663	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M-H+Cl"	33.962126
"538822"	485.143963	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M-H+Cl"	33.962126
"931243"	173.035363	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-H+Cl"	33.962126
"274174"	659.186602	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+Cl"	34.969402
"666596"	971.295202	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+Cl"	34.969402
"1274990"	347.078002	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Cl"	34.969402
"17547"	661.165806	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M-2H+K"	36.948606
"460025"	973.274406	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M-2H+K"	36.948606
"840012"	349.057206	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-2H+K"	36.948606
"1561313"	349.057206	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+K-2H"	36.948606
"944822"	357.106794	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-H+HCOOH"	44.998194
"367411"	669.215401	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+HCOOH-H"	44.998201
"350203"	683.231051	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+Hac-H"	59.013851
"1497944"	371.122451	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Hac-H"	59.013851
"960744"	379.088751	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-H+NaCOOH"	66.980151
"117674"	347.078002	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+2Cl"	69.938804
"561611"	503.132302	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+2Cl"	69.938804
"1035149"	191.023702	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2Cl"	69.938804
"1256552"	391.027485	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Br"	78.918885
"1318272"	393.083472	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Cl+HCOOH"	80.974872
"1335407"	415.065429	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Cl+NaCOOH"	102.956829
"926344"	425.094186	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M-H+CF3COOH"	112.985586
"1303416"	461.070864	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Cl+CF3COOH"	148.962264
"1380965"	277.095924	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H-2H2O"	-35.012676
"1392268"	295.1059	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H-H2O"	-17.0027
"296327"	625.224476	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+H"	1.007276
"685465"	937.333076	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+H"	1.007276
"1361816"	313.115876	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H"	1.007276
"140906"	313.115876	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+2H"	2.014552
"581281"	469.170176	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+2H"	2.014552
"1049629"	157.061576	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2H"	2.014552
"214247"	209.079676	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+3H"	3.021828
"652715"	313.115876	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+3H"	3.021828
"1170840"	105.043476	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+3H"	3.021828
"433018"	642.251023	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+NH4"	18.033823
"795108"	954.359623	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+NH4"	18.033823
"1693625"	330.142423	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+NH4"	18.033823
"336438"	321.6291495	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+H+NH4"	19.041099
"732140"	477.6834495	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+H+NH4"	19.041099
"1485961"	165.5748495	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H+NH4"	19.041099
"401360"	647.206418	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+Na"	22.989218
"757252"	959.315018	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+Na"	22.989218
"1608267"	335.097818	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Na"	22.989218
"321584"	324.106847	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+H+Na"	23.996494
"715098"	480.161147	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+H+Na"	23.996494
"1471104"	168.052547	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H+Na"	23.996494
"1057792"	112.37079	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2H+Na"	25.00377
"1261659"	345.142086	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+CH3OH+H"	33.033486
"379141"	663.180358	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+K"	38.963158
"743419"	975.288958	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+K"	38.963158
"1544378"	351.071758	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+K"	38.963158
"303740"	332.093817	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+H+K"	39.970434
"697253"	488.148117	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+H+K"	39.970434
"1453265"	176.039517	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H+K"	39.970434
"244054"	666.251026	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+ACN+H"	42.033826
"1218950"	354.142426	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+ACN+H"	42.033826
"1201741"	177.574851	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+ACN+2H"	43.041102
"196797"	669.18836	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+2Na-H"	44.97116
"638546"	981.29696	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+2Na-H"	44.97116
"1139872"	357.07976	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2Na-H"	44.97116
"180978"	335.097818	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+2Na"	45.978436
"625280"	491.152118	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+2Na"	45.978436
"1126233"	179.043518	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2Na"	45.978436
"1414061"	119.698104	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H+2Na"	46.985712
"1443697"	359.121346	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H+HCOOH"	47.012746
"230475"	340.13084	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+3H2O+2H"	56.04448
"1517445"	373.17339	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+IsoProp+H"	61.06479
"409842"	343.084788	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+Na+K"	61.952376
"780313"	499.139088	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+Na+K"	61.952376
"1671178"	187.030488	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Na+K"	61.952376
"257698"	688.232968	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+ACN+Na"	64.015768
"1233687"	376.124368	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+ACN+Na"	64.015768
"1721479"	376.147893	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+NH4+HCOOH"	64.039293
"1189021"	127.025418	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+3Na"	68.967654
"1662195"	381.103288	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Na+HCOOH"	68.994688
"166869"	701.13624	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+2K-H"	76.91904
"606430"	1013.24484	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+2K-H"	76.91904
"1089851"	389.02764	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2K-H"	76.91904
"152864"	351.071758	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"2M+2K"	77.926316
"582946"	507.126058	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"3M+2K"	77.926316
"1069402"	195.017458	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2K"	77.926316
"1101031"	391.042192	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2K+H"	78.933592
"1338150"	391.129807	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+DMSO+H"	79.021207
"1005672"	395.168976	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2ACN+H"	83.060376
"1530281"	396.162608	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+IsoProp+Na+H"	84.054008
"996724"	198.088126	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+2ACN+2H"	84.067652
"1589161"	397.077228	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+K+HCOOH"	84.968628
"1420166"	427.108738	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+H+CF3COOH"	115.000138
"1159210"	218.601401	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+3ACN+2H"	125.094202
"1707667"	444.135285	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+NH4+CF3COOH"	132.026685
"1643320"	449.09068	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+Na+CF3COOH"	136.98208
"1577877"	465.06462	"C18465"	"Flurprimidol"	"C15H15F3N2O2"	"312.1086"	"M+K+CF3COOH"	152.95602
"808241"	313.0749	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M"	0
"976674"	294.05651	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-H2O-H"	-19.01839
"63456"	207.709324	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M-3H"	-3.021828
"505205"	312.067624	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M-3H"	-3.021828
"881184"	103.351024	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-3H"	-3.021828
"7052"	312.067624	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M-2H"	-2.014552
"454516"	468.605074	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M-2H"	-2.014552
"832197"	155.530174	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-2H"	-2.014552
"92553"	625.142524	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M-H"	-1.007276
"522147"	938.217424	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M-H"	-1.007276
"902865"	312.067624	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-H"	-1.007276
"53960"	642.169071	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M-2H+NH4"	16.019271
"489510"	955.243971	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M-2H+NH4"	16.019271
"866583"	329.094171	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-2H+NH4"	16.019271
"41413"	647.124466	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M-2H+Na"	20.974666
"482074"	960.199366	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M-2H+Na"	20.974666
"859872"	334.049566	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-2H+Na"	20.974666
"1630498"	334.049566	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Na-2H"	20.974666
"97550"	330.055963	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M-H+Cl"	33.962126
"541120"	486.593413	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M-H+Cl"	33.962126
"931355"	173.518513	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-H+Cl"	33.962126
"270637"	661.119202	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+Cl"	34.969402
"666706"	974.194102	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+Cl"	34.969402
"1278012"	348.044302	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Cl"	34.969402
"19110"	663.098406	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M-2H+K"	36.948606
"460132"	976.173306	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M-2H+K"	36.948606
"840123"	350.023506	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-2H+K"	36.948606
"1557050"	350.023506	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+K-2H"	36.948606
"944935"	358.073094	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-H+HCOOH"	44.998194
"364243"	671.148001	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+HCOOH-H"	44.998201
"346304"	685.163651	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+Hac-H"	59.013851
"1493310"	372.088751	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Hac-H"	59.013851
"964505"	380.055051	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-H+NaCOOH"	66.980151
"122161"	348.044302	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+2Cl"	69.938804
"560628"	504.581752	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+2Cl"	69.938804
"1032708"	191.506852	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2Cl"	69.938804
"1254475"	391.993785	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Br"	78.918885
"1318868"	394.049772	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Cl+HCOOH"	80.974872
"1334908"	416.031729	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Cl+NaCOOH"	102.956829
"926207"	426.060486	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M-H+CF3COOH"	112.985586
"1303648"	462.037164	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Cl+CF3COOH"	148.962264
"1381324"	278.062224	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H-2H2O"	-35.012676
"1395659"	296.0722	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H-H2O"	-17.0027
"297530"	627.157076	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+H"	1.007276
"687765"	940.231976	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+H"	1.007276
"1360834"	314.082176	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H"	1.007276
"138827"	314.082176	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+2H"	2.014552
"577658"	470.619626	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+2H"	2.014552
"1050833"	157.544726	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2H"	2.014552
"213264"	209.723876	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+3H"	3.021828
"652825"	314.082176	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+3H"	3.021828
"1169854"	105.365576	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+3H"	3.021828
"429119"	644.183623	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+NH4"	18.033823
"791938"	957.258523	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+NH4"	18.033823
"1687175"	331.108723	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+NH4"	18.033823
"337644"	322.5954495	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+H+NH4"	19.041099
"729337"	479.1328995	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+H+NH4"	19.041099
"1482063"	166.0579995	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H+NH4"	19.041099
"400377"	649.139018	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+Na"	22.989218
"760279"	962.213918	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+Na"	22.989218
"1610563"	336.064118	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Na"	22.989218
"318776"	325.073147	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+H+Na"	23.996494
"716302"	481.610597	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+H+Na"	23.996494
"1470121"	168.535697	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H+Na"	23.996494
"1062274"	112.69289	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2H+Na"	25.00377
"1263952"	346.108386	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+CH3OH+H"	33.033486
"384716"	665.112958	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+K"	38.963158
"743526"	978.187858	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+K"	38.963158
"1545577"	352.038058	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+K"	38.963158
"303850"	333.060117	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+H+K"	39.970434
"698461"	489.597567	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+H+K"	39.970434
"1454467"	176.522667	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H+K"	39.970434
"245256"	668.183626	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+ACN+H"	42.033826
"1222340"	355.108726	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+ACN+H"	42.033826
"1205129"	178.058001	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+ACN+2H"	43.041102
"199825"	671.12096	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+2Na-H"	44.97116
"640843"	984.19586	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+2Na-H"	44.97116
"1144717"	358.04606	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2Na-H"	44.97116
"179254"	336.064118	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+2Na"	45.978436
"622824"	492.601568	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+2Na"	45.978436
"1128903"	179.526668	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2Na"	45.978436
"1410963"	120.020204	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H+2Na"	46.985712
"1440891"	360.087646	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H+HCOOH"	47.012746
"231681"	341.09714	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+3H2O+2H"	56.04448
"1513182"	374.13969	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+IsoProp+H"	61.06479
"411772"	344.051088	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+Na+K"	61.952376
"771677"	500.588538	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+Na+K"	61.952376
"1670196"	187.513638	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Na+K"	61.952376
"257808"	690.165568	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+ACN+Na"	64.015768
"1231610"	377.090668	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+ACN+Na"	64.015768
"1718310"	377.114193	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+NH4+HCOOH"	64.039293
"1184757"	127.347518	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+3Na"	68.967654
"1660118"	382.069588	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Na+HCOOH"	68.994688
"163698"	703.06884	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+2K-H"	76.91904
"605446"	1016.14374	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+2K-H"	76.91904
"1091052"	389.99394	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2K-H"	76.91904
"151154"	352.038058	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"2M+2K"	77.926316
"583059"	508.575508	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"3M+2K"	77.926316
"1070849"	195.500608	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2K"	77.926316
"1102233"	392.008492	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2K+H"	78.933592
"1339355"	392.096107	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+DMSO+H"	79.021207
"1014814"	396.135276	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2ACN+H"	83.060376
"1529298"	397.128908	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+IsoProp+Na+H"	84.054008
"996836"	198.571276	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+2ACN+2H"	84.067652
"1591339"	398.043528	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+K+HCOOH"	84.968628
"1421373"	428.075038	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+H+CF3COOH"	115.000138
"1159320"	219.084551	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+3ACN+2H"	125.094202
"1708873"	445.101585	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+NH4+CF3COOH"	132.026685
"1643430"	450.05698	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+Na+CF3COOH"	136.98208
"1577987"	466.03092	"C18466"	"Hexaconazole"	"C14H17Cl2N3O"	"313.0749"	"M+K+CF3COOH"	152.95602
"808351"	352.1012	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M"	0
"985163"	333.08281	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-H2O-H"	-19.01839
"63686"	233.726857333333	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M-3H"	-3.021828
"504951"	351.093924	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M-3H"	-3.021828
"882023"	116.359790666667	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-3H"	-3.021828
"3883"	351.093924	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M-2H"	-2.014552
"455358"	527.144524	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M-2H"	-2.014552
"831941"	175.043324	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-2H"	-2.014552
"92054"	703.195124	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M-H"	-1.007276
"521164"	1055.296324	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M-H"	-1.007276
"900789"	351.093924	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-H"	-1.007276
"48357"	720.221671	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M-2H+NH4"	16.019271
"489498"	1072.322871	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M-2H+NH4"	16.019271
"867057"	368.120471	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-2H+NH4"	16.019271
"41523"	725.177066	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M-2H+Na"	20.974666
"482184"	1077.278266	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M-2H+Na"	20.974666
"857796"	373.075866	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-2H+Na"	20.974666
"1624047"	373.075866	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Na-2H"	20.974666
"100576"	369.082263	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M-H+Cl"	33.962126
"541230"	545.132863	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M-H+Cl"	33.962126
"929278"	193.031663	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-H+Cl"	33.962126
"272209"	739.171802	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+Cl"	34.969402
"669003"	1091.273002	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+Cl"	34.969402
"1277030"	387.070602	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Cl"	34.969402
"19584"	741.151006	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M-2H+K"	36.948606
"459149"	1093.252206	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M-2H+K"	36.948606
"843513"	389.049806	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-2H+K"	36.948606
"1567001"	389.049806	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+K-2H"	36.948606
"949418"	397.099394	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-H+HCOOH"	44.998194
"368727"	749.200601	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+HCOOH-H"	44.998201
"346415"	763.216251	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+Hac-H"	59.013851
"1495976"	411.115051	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Hac-H"	59.013851
"962428"	419.081351	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-H+NaCOOH"	66.980151
"122636"	387.070602	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+2Cl"	69.938804
"560738"	563.121202	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+2Cl"	69.938804
"1034641"	211.020002	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2Cl"	69.938804
"1255684"	431.020085	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Br"	78.918885
"1319225"	433.076072	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Cl+HCOOH"	80.974872
"1334412"	455.058029	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Cl+NaCOOH"	102.956829
"925593"	465.086786	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M-H+CF3COOH"	112.985586
"1302184"	501.063464	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Cl+CF3COOH"	148.962264
"1381796"	317.088524	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H-2H2O"	-35.012676
"1395769"	335.0985	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H-H2O"	-17.0027
"295454"	705.209676	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+H"	1.007276
"688967"	1057.310876	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+H"	1.007276
"1366411"	353.108476	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H"	1.007276
"134926"	353.108476	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+2H"	2.014552
"578862"	529.159076	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+2H"	2.014552
"1052037"	177.057876	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2H"	2.014552
"214468"	235.741409333333	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+3H"	3.021828
"658039"	353.108476	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+3H"	3.021828
"1172154"	118.374342666667	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+3H"	3.021828
"435427"	722.236223	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+NH4"	18.033823
"797516"	1074.337423	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+NH4"	18.033823
"1686557"	370.135023	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+NH4"	18.033823
"340670"	361.6217495	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+H+NH4"	19.041099
"731270"	537.6723495	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+H+NH4"	19.041099
"1487276"	185.5711495	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H+NH4"	19.041099
"402675"	727.191618	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+Na"	22.989218
"760023"	1079.292818	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+Na"	22.989218
"1611768"	375.090418	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Na"	22.989218
"319618"	364.099447	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+H+Na"	23.996494
"716413"	540.150047	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+H+Na"	23.996494
"1470235"	188.048847	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H+Na"	23.996494
"1064574"	125.701656666667	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2H+Na"	25.00377
"1262973"	385.134686	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+CH3OH+H"	33.033486
"387015"	743.165558	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+K"	38.963158
"746918"	1095.266758	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+K"	38.963158
"1547875"	391.064358	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+K"	38.963158
"306148"	372.086417	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+H+K"	39.970434
"700757"	548.137017	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+H+K"	39.970434
"1452389"	196.035817	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H+K"	39.970434
"245365"	746.236226	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+ACN+H"	42.033826
"1222085"	394.135026	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+ACN+H"	42.033826
"1207794"	197.571151	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+ACN+2H"	43.041102
"198841"	749.17356	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+2Na-H"	44.97116
"639861"	1101.27476	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+2Na-H"	44.97116
"1143732"	397.07236	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2Na-H"	44.97116
"184471"	375.090418	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+2Na"	45.978436
"624030"	551.141018	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+2Na"	45.978436
"1129621"	199.039818	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2Na"	45.978436
"1411441"	133.028970666667	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H+2Na"	46.985712
"1443194"	399.113946	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H+HCOOH"	47.012746
"230698"	380.12344	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+3H2O+2H"	56.04448
"1516573"	413.16599	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+IsoProp+H"	61.06479
"414071"	383.077388	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+Na+K"	61.952376
"772151"	559.127988	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+Na+K"	61.952376
"1669211"	207.026788	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Na+K"	61.952376
"261199"	768.218168	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+ACN+Na"	64.015768
"1234639"	416.116968	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+ACN+Na"	64.015768
"1721701"	416.140493	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+NH4+HCOOH"	64.039293
"1187056"	140.356284666667	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+3Na"	68.967654
"1658040"	421.095888	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Na+HCOOH"	68.994688
"165994"	781.12144	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+2K-H"	76.91904
"607380"	1133.22264	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+2K-H"	76.91904
"1091164"	429.02024	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2K-H"	76.91904
"151263"	391.064358	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"2M+2K"	77.926316
"583169"	567.114958	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"3M+2K"	77.926316
"1068811"	215.013758	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2K"	77.926316
"1104168"	431.034792	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2K+H"	78.933592
"1336790"	431.122407	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+DMSO+H"	79.021207
"1012371"	435.161576	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2ACN+H"	83.060376
"1528311"	436.155208	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+IsoProp+Na+H"	84.054008
"992570"	218.084426	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+2ACN+2H"	84.067652
"1593635"	437.069828	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+K+HCOOH"	84.968628
"1418201"	467.101338	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+H+CF3COOH"	115.000138
"1149217"	238.597701	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+3ACN+2H"	125.094202
"1707890"	484.127885	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+NH4+CF3COOH"	132.026685
"1643540"	489.08328	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+Na+CF3COOH"	136.98208
"1578097"	505.05722	"C18467"	"Hexythiazox"	"C17H21ClN2O2S"	"352.1012"	"M+K+CF3COOH"	152.95602
"814658"	409.9927	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M"	0
"987463"	390.97431	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-H2O-H"	-19.01839
"68052"	272.321190666667	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M-3H"	-3.021828
"505425"	408.985424	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M-3H"	-3.021828
"886509"	135.656957333333	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-3H"	-3.021828
"2167"	408.985424	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M-2H"	-2.014552
"441726"	613.981774	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M-2H"	-2.014552
"820261"	203.989074	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-2H"	-2.014552
"94108"	818.978124	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M-H"	-1.007276
"523097"	1228.970824	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M-H"	-1.007276
"900899"	408.985424	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-H"	-1.007276
"48954"	836.004671	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M-2H+NH4"	16.019271
"491553"	1245.997371	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M-2H+NH4"	16.019271
"867167"	426.011971	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-2H+NH4"	16.019271
"39445"	840.960066	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M-2H+Na"	20.974666
"483387"	1250.952766	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M-2H+Na"	20.974666
"858999"	430.967366	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-2H+Na"	20.974666
"1627437"	430.967366	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Na-2H"	20.974666
"98499"	426.973763	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M-H+Cl"	33.962126
"541340"	631.970113	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M-H+Cl"	33.962126
"934854"	221.977413	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-H+Cl"	33.962126
"273412"	854.954802	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+Cl"	34.969402
"670205"	1264.947502	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+Cl"	34.969402
"1277507"	444.962102	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Cl"	34.969402
"18971"	856.934006	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M-2H+K"	36.948606
"463634"	1266.926706	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M-2H+K"	36.948606
"844717"	446.941306	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-2H+K"	36.948606
"1567111"	446.941306	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+K-2H"	36.948606
"949528"	454.990894	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-H+HCOOH"	44.998194
"375398"	864.983601	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+HCOOH-H"	44.998201
"353815"	878.999251	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+Hac-H"	59.013851
"1501555"	469.006551	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Hac-H"	59.013851
"964725"	476.972851	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-H+NaCOOH"	66.980151
"120194"	444.962102	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+2Cl"	69.938804
"563765"	649.958452	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+2Cl"	69.938804
"1034633"	239.965752	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2Cl"	69.938804
"1256278"	488.911585	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Br"	78.918885
"1319416"	490.967572	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Cl+HCOOH"	80.974872
"1335335"	512.949529	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Cl+NaCOOH"	102.956829
"926070"	522.978286	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M-H+CF3COOH"	112.985586
"1302416"	558.954964	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Cl+CF3COOH"	148.962264
"1380938"	374.980024	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H-2H2O"	-35.012676
"1396973"	392.99	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H-H2O"	-17.0027
"297758"	820.992676	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+H"	1.007276
"690541"	1230.985376	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+H"	1.007276
"1366648"	410.999976	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H"	1.007276
"138316"	410.999976	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+2H"	2.014552
"580431"	615.996326	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+2H"	2.014552
"1050692"	206.003626	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2H"	2.014552
"216765"	274.335742666667	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+3H"	3.021828
"658519"	410.999976	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+3H"	3.021828
"1173358"	137.671509333333	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+3H"	3.021828
"437362"	838.019223	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+NH4"	18.033823
"798723"	1248.011923	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+NH4"	18.033823
"1693959"	428.026523	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+NH4"	18.033823
"337864"	419.5132495	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+H+NH4"	19.041099
"731379"	624.5095995	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+H+NH4"	19.041099
"1487386"	214.5168995	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H+NH4"	19.041099
"402784"	842.974618	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+Na"	22.989218
"757944"	1252.967318	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+Na"	22.989218
"1611877"	432.981918	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Na"	22.989218
"319726"	421.990947	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+H+Na"	23.996494
"718710"	626.987297	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+H+Na"	23.996494
"1472534"	216.994597	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H+Na"	23.996494
"1066507"	144.998823333333	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2H+Na"	25.00377
"1265270"	443.026186	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+CH3OH+H"	33.033486
"387125"	858.948558	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+K"	38.963158
"745935"	1268.941258	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+K"	38.963158
"1549081"	448.955858	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+K"	38.963158
"308443"	429.977917	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+H+K"	39.970434
"699772"	634.974267	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+H+K"	39.970434
"1459063"	224.981567	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H+K"	39.970434
"249489"	862.019226	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+ACN+H"	42.033826
"1224752"	452.026526	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+ACN+H"	42.033826
"1209658"	226.516901	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+ACN+2H"	43.041102
"201139"	864.95656	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+2Na-H"	44.97116
"643864"	1274.94926	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+2Na-H"	44.97116
"1146277"	454.96386	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2Na-H"	44.97116
"181302"	432.981918	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+2Na"	45.978436
"621590"	637.978268	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+2Na"	45.978436
"1121455"	227.985568	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2Na"	45.978436
"1404616"	152.326137333333	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H+2Na"	46.985712
"1444844"	457.005446	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H+HCOOH"	47.012746
"233724"	438.01494	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+3H2O+2H"	56.04448
"1518870"	471.05749	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+IsoProp+H"	61.06479
"415274"	440.968888	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+Na+K"	61.952376
"778457"	645.965238	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+Na+K"	61.952376
"1674789"	235.972538	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Na+K"	61.952376
"262403"	884.001168	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+ACN+Na"	64.015768
"1238392"	474.008468	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+ACN+Na"	64.015768
"1722905"	474.031993	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+NH4+HCOOH"	64.039293
"1186072"	159.653451333333	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+3Na"	68.967654
"1654874"	478.987388	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Na+HCOOH"	68.994688
"168292"	896.90444	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+2K-H"	76.91904
"601659"	1306.89714	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+2K-H"	76.91904
"1087267"	486.91174	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2K-H"	76.91904
"142745"	448.955858	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"2M+2K"	77.926316
"583641"	653.952208	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"3M+2K"	77.926316
"1073256"	243.959508	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2K"	77.926316
"1105371"	488.926292	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2K+H"	78.933592
"1341764"	489.013907	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+DMSO+H"	79.021207
"1008470"	493.053076	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2ACN+H"	83.060376
"1528421"	494.046708	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+IsoProp+Na+H"	84.054008
"991343"	247.030176	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+2ACN+2H"	84.067652
"1593745"	494.961328	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+K+HCOOH"	84.968628
"1421593"	524.992838	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+H+CF3COOH"	115.000138
"1151879"	267.543451	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+3ACN+2H"	125.094202
"1700342"	542.019385	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+NH4+CF3COOH"	132.026685
"1638181"	546.97478	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+Na+CF3COOH"	136.98208
"1578207"	562.94872	"C18468"	"Imibenconazole"	"C17H13Cl3N4S"	"409.9927"	"M+K+CF3COOH"	152.95602
"808571"	304.1123	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M"	0
"982104"	285.09391	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-H2O-H"	-19.01839
"69256"	201.734257333333	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M-3H"	-3.021828
"504442"	303.105024	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M-3H"	-3.021828
"884432"	100.363490666667	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-3H"	-3.021828
"5194"	303.105024	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M-2H"	-2.014552
"443660"	455.161174	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M-2H"	-2.014552
"820371"	151.048874	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-2H"	-2.014552
"92395"	607.217324	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M-H"	-1.007276
"522114"	911.329624	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M-H"	-1.007276
"901009"	303.105024	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-H"	-1.007276
"47970"	624.243871	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M-2H+NH4"	16.019271
"491663"	928.356171	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M-2H+NH4"	16.019271
"868371"	320.131571	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-2H+NH4"	16.019271
"38462"	629.199266	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M-2H+Na"	20.974666
"482404"	933.311566	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M-2H+Na"	20.974666
"855830"	325.086966	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-2H+Na"	20.974666
"1627548"	325.086966	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Na-2H"	20.974666
"98609"	321.093363	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M-H+Cl"	33.962126
"538171"	473.149513	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M-H+Cl"	33.962126
"931684"	169.037213	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-H+Cl"	33.962126
"272429"	643.194002	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+Cl"	34.969402
"670315"	947.306302	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+Cl"	34.969402
"1278348"	339.081702	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Cl"	34.969402
"19810"	645.173206	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M-2H+K"	36.948606
"460465"	949.285506	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M-2H+K"	36.948606
"841547"	341.060906	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-2H+K"	36.948606
"1561754"	341.060906	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+K-2H"	36.948606
"952919"	349.110494	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-H+HCOOH"	44.998194
"368948"	653.222801	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+HCOOH-H"	44.998201
"355018"	667.238451	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+Hac-H"	59.013851
"1501665"	363.126151	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Hac-H"	59.013851
"964835"	371.092451	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-H+NaCOOH"	66.980151
"122491"	339.081702	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+2Cl"	69.938804
"558772"	491.137852	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+2Cl"	69.938804
"1035471"	187.025552	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2Cl"	69.938804
"1256266"	383.031185	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Br"	78.918885
"1319323"	385.087172	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Cl+HCOOH"	80.974872
"1334391"	407.069129	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Cl+NaCOOH"	102.956829
"926422"	417.097886	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M-H+CF3COOH"	112.985586
"1303371"	453.074564	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Cl+CF3COOH"	148.962264
"1380682"	269.099624	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H-2H2O"	-35.012676
"1396723"	287.1096	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H-H2O"	-17.0027
"297747"	609.231876	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+H"	1.007276
"689557"	913.344176	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+H"	1.007276
"1366148"	305.119576	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H"	1.007276
"139519"	305.119576	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+2H"	2.014552
"579691"	457.175726	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+2H"	2.014552
"1051168"	153.063426	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2H"	2.014552
"218822"	203.748809333333	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+3H"	3.021828
"658631"	305.119576	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+3H"	3.021828
"1175901"	102.378042666667	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+3H"	3.021828
"438080"	626.258423	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+NH4"	18.033823
"799927"	930.370723	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+NH4"	18.033823
"1694068"	322.146123	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+NH4"	18.033823
"339798"	313.6328495	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+H+NH4"	19.041099
"731488"	465.6889995	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+H+NH4"	19.041099
"1486402"	161.5766995	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H+NH4"	19.041099
"400707"	631.213818	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+Na"	22.989218
"759149"	935.326118	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+Na"	22.989218
"1606153"	327.101518	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Na"	22.989218
"318013"	316.110547	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+H+Na"	23.996494
"712259"	468.166697	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+H+Na"	23.996494
"1468269"	164.054397	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H+Na"	23.996494
"1059327"	109.705356666667	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2H+Na"	25.00377
"1264287"	337.145786	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+CH3OH+H"	33.033486
"380675"	647.187758	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+K"	38.963158
"747139"	951.300058	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+K"	38.963158
"1549191"	343.075458	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+K"	38.963158
"306368"	324.097517	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+H+K"	39.970434
"697696"	476.153667	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+H+K"	39.970434
"1453703"	172.041367	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H+K"	39.970434
"243400"	650.258426	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+ACN+H"	42.033826
"1225145"	346.146126	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+ACN+H"	42.033826
"1208380"	173.576701	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+ACN+2H"	43.041102
"201613"	653.19576	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+2Na-H"	44.97116
"641906"	957.30806	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+2Na-H"	44.97116
"1146675"	349.08346	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2Na-H"	44.97116
"181411"	327.101518	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+2Na"	45.978436
"620243"	479.157668	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+2Na"	45.978436
"1119374"	175.045368	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2Na"	45.978436
"1406913"	117.032670666667	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H+2Na"	46.985712
"1445429"	351.125046	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H+HCOOH"	47.012746
"233834"	332.13454	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+3H2O+2H"	56.04448
"1517887"	365.17709	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+IsoProp+H"	61.06479
"417572"	335.088488	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+Na+K"	61.952376
"780754"	487.144638	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+Na+K"	61.952376
"1677088"	183.032338	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Na+K"	61.952376
"260327"	672.240368	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+ACN+Na"	64.015768
"1238503"	368.128068	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+ACN+Na"	64.015768
"1719736"	368.151593	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+NH4+HCOOH"	64.039293
"1186182"	124.359984666667	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+3Na"	68.967654
"1652798"	373.106988	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Na+HCOOH"	68.994688
"167311"	685.14364	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+2K-H"	76.91904
"600676"	989.25594	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+2K-H"	76.91904
"1087377"	381.03134	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2K-H"	76.91904
"142735"	343.075458	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"2M+2K"	77.926316
"584480"	495.131608	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"3M+2K"	77.926316
"1072272"	191.019308	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2K"	77.926316
"1105481"	383.045892	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2K+H"	78.933592
"1345156"	383.133507	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+DMSO+H"	79.021207
"1008216"	387.172676	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2ACN+H"	83.060376
"1528533"	388.166308	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+IsoProp+Na+H"	84.054008
"993886"	194.089976	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+2ACN+2H"	84.067652
"1591671"	389.080928	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+K+HCOOH"	84.968628
"1419517"	419.112438	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+H+CF3COOH"	115.000138
"1150896"	214.603251	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+3ACN+2H"	125.094202
"1698266"	436.138985	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+NH4+CF3COOH"	132.026685
"1636105"	441.09438	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+Na+CF3COOH"	136.98208
"1578317"	457.06832	"C18469"	"Imicyafos"	"C11H21N4O2PS"	"304.1123"	"M+K+CF3COOH"	152.95602
"814514"	340.0866	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M"	0
"985494"	321.06821	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-H2O-H"	-19.01839
"74832"	225.717124	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M-3H"	-3.021828
"510022"	339.079324	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M-3H"	-3.021828
"893290"	112.354924	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-3H"	-3.021828
"6399"	339.079324	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M-2H"	-2.014552
"445958"	509.122624	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M-2H"	-2.014552
"825948"	169.036024	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-2H"	-2.014552
"94006"	679.165924	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M-H"	-1.007276
"521130"	1019.252524	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M-H"	-1.007276
"901119"	339.079324	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-H"	-1.007276
"48688"	696.192471	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M-2H+NH4"	16.019271
"491044"	1036.279071	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M-2H+NH4"	16.019271
"868117"	356.105871	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-2H+NH4"	16.019271
"34561"	701.147866	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M-2H+Na"	20.974666
"476317"	1041.234466	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M-2H+Na"	20.974666
"852660"	361.061266	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-2H+Na"	20.974666
"1620002"	361.061266	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Na-2H"	20.974666
"100906"	357.067663	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M-H+Cl"	33.962126
"535728"	527.110963	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M-H+Cl"	33.962126
"930700"	187.024363	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-H+Cl"	33.962126
"272538"	715.142602	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+Cl"	34.969402
"664962"	1055.229202	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+Cl"	34.969402
"1277365"	375.056002	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Cl"	34.969402
"21016"	717.121806	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M-2H+K"	36.948606
"461670"	1057.208406	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M-2H+K"	36.948606
"844574"	377.035206	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-2H+K"	36.948606
"1567332"	377.035206	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+K-2H"	36.948606
"949749"	385.084794	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-H+HCOOH"	44.998194
"372338"	725.171401	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+HCOOH-H"	44.998201
"354036"	739.187051	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+Hac-H"	59.013851
"1502873"	399.100451	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Hac-H"	59.013851
"971142"	407.066751	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-H+NaCOOH"	66.980151
"118228"	375.056002	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+2Cl"	69.938804
"561070"	545.099302	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+2Cl"	69.938804
"1036069"	205.012702	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2Cl"	69.938804
"1255284"	419.005485	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Br"	78.918885
"1318828"	421.061472	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Cl+HCOOH"	80.974872
"1332315"	443.043429	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Cl+NaCOOH"	102.956829
"924831"	453.072186	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M-H+CF3COOH"	112.985586
"1302996"	489.048864	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Cl+CF3COOH"	148.962264
"1381403"	305.073924	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H-2H2O"	-35.012676
"1395012"	323.0839	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H-H2O"	-17.0027
"297371"	681.180476	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+H"	1.007276
"690274"	1021.267076	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+H"	1.007276
"1365894"	341.093876	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H"	1.007276
"140367"	341.093876	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+2H"	2.014552
"580045"	511.137176	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+2H"	2.014552
"1050182"	171.050576	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2H"	2.014552
"212614"	227.731676	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+3H"	3.021828
"652174"	341.093876	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+3H"	3.021828
"1173578"	114.369476	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+3H"	3.021828
"437585"	698.207023	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+NH4"	18.033823
"798579"	1038.293623	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+NH4"	18.033823
"1694545"	358.120423	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+NH4"	18.033823
"338084"	349.6071495	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+H+NH4"	19.041099
"733057"	519.6504495	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+H+NH4"	19.041099
"1488698"	179.5638495	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H+NH4"	19.041099
"402642"	703.162418	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+Na"	22.989218
"756342"	1043.249018	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+Na"	22.989218
"1606263"	363.075818	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Na"	22.989218
"317762"	352.084847	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+H+Na"	23.996494
"714557"	522.128147	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+H+Na"	23.996494
"1467286"	182.041547	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H+Na"	23.996494
"1059438"	121.69679	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2H+Na"	25.00377
"1263304"	373.120086	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+CH3OH+H"	33.033486
"385160"	719.136358	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+K"	38.963158
"749436"	1059.222958	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+K"	38.963158
"1549301"	379.049758	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+K"	38.963158
"307572"	360.071817	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+H+K"	39.970434
"702180"	530.115117	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+H+K"	39.970434
"1455999"	190.028517	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H+K"	39.970434
"241323"	722.207026	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+ACN+H"	42.033826
"1225462"	382.120426	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+ACN+H"	42.033826
"1207884"	191.563851	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+ACN+2H"	43.041102
"201359"	725.14436	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+2Na-H"	44.97116
"642262"	1065.23096	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+2Na-H"	44.97116
"1146012"	385.05776	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2Na-H"	44.97116
"186263"	363.075818	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+2Na"	45.978436
"624361"	533.119118	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+2Na"	45.978436
"1123494"	193.032518	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2Na"	45.978436
"1412619"	129.024104	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H+2Na"	46.985712
"1443164"	387.099346	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H+HCOOH"	47.012746
"233580"	368.10884	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+3H2O+2H"	56.04448
"1522372"	401.15139	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+IsoProp+H"	61.06479
"416589"	371.062788	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+Na+K"	61.952376
"780866"	541.106088	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+Na+K"	61.952376
"1677928"	201.019488	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Na+K"	61.952376
"257161"	744.188968	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+ACN+Na"	64.015768
"1235701"	404.102368	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+ACN+Na"	64.015768
"1721306"	404.125893	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+NH4+HCOOH"	64.039293
"1190670"	136.351418	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+3Na"	68.967654
"1655095"	409.081288	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Na+HCOOH"	68.994688
"165235"	757.09224	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+2K-H"	76.91904
"603703"	1097.17884	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+2K-H"	76.91904
"1087124"	417.00564	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2K-H"	76.91904
"145033"	379.049758	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"2M+2K"	77.926316
"584592"	549.093058	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"3M+2K"	77.926316
"1073478"	209.006458	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2K"	77.926316
"1106688"	419.020192	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2K+H"	78.933592
"1343080"	419.107807	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+DMSO+H"	79.021207
"1009419"	423.146976	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2ACN+H"	83.060376
"1529736"	424.140608	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+IsoProp+Na+H"	84.054008
"993996"	212.077126	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+2ACN+2H"	84.067652
"1592872"	425.055228	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+K+HCOOH"	84.968628
"1418531"	455.086738	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+H+CF3COOH"	115.000138
"1153193"	232.590401	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+3ACN+2H"	125.094202
"1698008"	472.113285	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+NH4+CF3COOH"	132.026685
"1637309"	477.06868	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+Na+CF3COOH"	136.98208
"1578427"	493.04262	"C18470"	"Indanofan"	"C20H17ClO3"	"340.0866"	"M+K+CF3COOH"	152.95602
"808791"	333.1608	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M"	0
"982324"	314.14241	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-H2O-H"	-19.01839
"72754"	221.099924	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M-3H"	-3.021828
"510132"	332.153524	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M-3H"	-3.021828
"891213"	110.046324	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-3H"	-3.021828
"6509"	332.153524	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M-2H"	-2.014552
"444975"	498.733924	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M-2H"	-2.014552
"822778"	165.573124	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-2H"	-2.014552
"93712"	665.314324	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M-H"	-1.007276
"520024"	998.475124	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M-H"	-1.007276
"899406"	332.153524	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-H"	-1.007276
"51957"	682.340871	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M-2H+NH4"	16.019271
"491518"	1015.501671	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M-2H+NH4"	16.019271
"867133"	349.180071	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-2H+NH4"	16.019271
"33577"	687.296266	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M-2H+Na"	20.974666
"475698"	1020.457066	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M-2H+Na"	20.974666
"853863"	354.135466	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-2H+Na"	20.974666
"1621572"	354.135466	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Na-2H"	20.974666
"98100"	350.141863	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M-H+Cl"	33.962126
"536200"	516.722263	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M-H+Cl"	33.962126
"930446"	183.561463	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-H+Cl"	33.962126
"269367"	701.291002	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+Cl"	34.969402
"666165"	1034.451802	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+Cl"	34.969402
"1274923"	368.130202	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Cl"	34.969402
"16871"	703.270206	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M-2H+K"	36.948606
"460686"	1036.431006	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M-2H+K"	36.948606
"845048"	370.109406	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-2H+K"	36.948606
"1565255"	370.109406	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+K-2H"	36.948606
"949859"	378.158994	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-H+HCOOH"	44.998194
"372448"	711.319801	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+HCOOH-H"	44.998201
"355239"	725.335451	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+Hac-H"	59.013851
"1505167"	392.174651	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Hac-H"	59.013851
"968336"	400.140951	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-H+NaCOOH"	66.980151
"120525"	368.130202	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+2Cl"	69.938804
"562273"	534.710602	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+2Cl"	69.938804
"1035813"	201.549802	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2Cl"	69.938804
"1255394"	412.079685	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Br"	78.918885
"1317843"	414.135672	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Cl+HCOOH"	80.974872
"1333153"	436.117629	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Cl+NaCOOH"	102.956829
"926520"	446.146386	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M-H+CF3COOH"	112.985586
"1302985"	482.123064	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Cl+CF3COOH"	148.962264
"1382241"	298.148124	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H-2H2O"	-35.012676
"1396215"	316.1581	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H-H2O"	-17.0027
"298090"	667.328876	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+H"	1.007276
"690626"	1000.489676	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+H"	1.007276
"1366246"	334.168076	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H"	1.007276
"140964"	334.168076	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+2H"	2.014552
"581006"	500.748476	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+2H"	2.014552
"1050661"	167.587676	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2H"	2.014552
"218561"	223.114476	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+3H"	3.021828
"654472"	334.168076	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+3H"	3.021828
"1171501"	112.060876	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+3H"	3.021828
"436964"	684.355423	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+NH4"	18.033823
"800877"	1017.516223	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+NH4"	18.033823
"1695382"	351.194623	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+NH4"	18.033823
"341474"	342.6813495	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+H+NH4"	19.041099
"736082"	509.2617495	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+H+NH4"	19.041099
"1488809"	176.1009495	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H+NH4"	19.041099
"403116"	689.310818	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+Na"	22.989218
"758641"	1022.471618	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+Na"	22.989218
"1607833"	356.150018	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Na"	22.989218
"318965"	345.159047	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+H+Na"	23.996494
"713574"	511.739447	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+H+Na"	23.996494
"1468490"	178.578647	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H+Na"	23.996494
"1059549"	119.38819	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2H+Na"	25.00377
"1264508"	366.194286	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+CH3OH+H"	33.033486
"386363"	705.284758	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+K"	38.963158
"749546"	1038.445558	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+K"	38.963158
"1549411"	372.123958	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+K"	38.963158
"308775"	353.146017	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+H+K"	39.970434
"700104"	519.726417	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+H+K"	39.970434
"1452830"	186.565617	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H+K"	39.970434
"239247"	708.355426	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+ACN+H"	42.033826
"1224962"	375.194626	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+ACN+H"	42.033826
"1208358"	188.100951	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+ACN+2H"	43.041102
"201712"	711.29276	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+2Na-H"	44.97116
"642127"	1044.45356	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+2Na-H"	44.97116
"1144535"	378.13196	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2Na-H"	44.97116
"183817"	356.150018	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+2Na"	45.978436
"626784"	522.730418	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+2Na"	45.978436
"1123604"	189.569618	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2Na"	45.978436
"1413667"	126.715504	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H+2Na"	46.985712
"1444726"	380.173546	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H+HCOOH"	47.012746
"235153"	361.18304	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+3H2O+2H"	56.04448
"1523456"	394.22559	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+IsoProp+H"	61.06479
"418885"	364.136988	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+Na+K"	61.952376
"782068"	530.717388	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+Na+K"	61.952376
"1677309"	197.556588	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Na+K"	61.952376
"262735"	730.337368	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+ACN+Na"	64.015768
"1236539"	397.176568	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+ACN+Na"	64.015768
"1722143"	397.200093	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+NH4+HCOOH"	64.039293
"1188589"	134.042818	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+3Na"	68.967654
"1656297"	402.155488	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Na+HCOOH"	68.994688
"164250"	743.24064	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+2K-H"	76.91904
"604906"	1076.40144	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+2K-H"	76.91904
"1092701"	410.07984	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2K-H"	76.91904
"146237"	372.123958	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"2M+2K"	77.926316
"585795"	538.704358	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"3M+2K"	77.926316
"1073587"	205.543558	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2K"	77.926316
"1107891"	412.094392	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2K+H"	78.933592
"1342097"	412.182007	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+DMSO+H"	79.021207
"1008436"	416.221176	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2ACN+H"	83.060376
"1529846"	417.214808	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+IsoProp+Na+H"	84.054008
"991919"	208.614226	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+2ACN+2H"	84.067652
"1589701"	418.129428	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+K+HCOOH"	84.968628
"1417547"	448.160938	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+H+CF3COOH"	115.000138
"1152210"	229.127501	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+3ACN+2H"	125.094202
"1698481"	465.187485	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+NH4+CF3COOH"	132.026685
"1637419"	470.14288	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+Na+CF3COOH"	136.98208
"1578537"	486.11682	"C18471"	"Ipconazole"	"C18H24ClN3O"	"333.1608"	"M+K+CF3COOH"	152.95602
"808901"	172.096	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M"	0
"985714"	153.07761	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-H2O-H"	-19.01839
"76144"	113.723390666667	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M-3H"	-3.021828
"510242"	171.088724	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M-3H"	-3.021828
"891323"	56.3580573333333	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-3H"	-3.021828
"12084"	171.088724	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M-2H"	-2.014552
"445085"	257.136724	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M-2H"	-2.014552
"823981"	85.040724	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-2H"	-2.014552
"85069"	343.184724	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M-H"	-1.007276
"519648"	515.280724	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M-H"	-1.007276
"896964"	171.088724	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-H"	-1.007276
"48782"	360.211271	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M-2H+NH4"	16.019271
"490170"	532.307271	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M-2H+NH4"	16.019271
"866514"	188.115271	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-2H+NH4"	16.019271
"34416"	365.166666	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M-2H+Na"	20.974666
"476173"	537.262666	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M-2H+Na"	20.974666
"853973"	193.070666	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-2H+Na"	20.974666
"1621682"	193.070666	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Na-2H"	20.974666
"100032"	189.077063	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M-H+Cl"	33.962126
"537039"	275.125063	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M-H+Cl"	33.962126
"932014"	103.029063	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-H+Cl"	33.962126
"269112"	379.161402	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+Cl"	34.969402
"664088"	551.257402	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+Cl"	34.969402
"1274668"	207.065402	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Cl"	34.969402
"17103"	381.140606	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M-2H+K"	36.948606
"460795"	553.236606	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M-2H+K"	36.948606
"841878"	209.044606	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-2H+K"	36.948606
"1565365"	209.044606	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+K-2H"	36.948606
"949969"	217.094194	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-H+HCOOH"	44.998194
"372558"	389.190201	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+HCOOH-H"	44.998201
"352069"	403.205851	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+Hac-H"	59.013851
"1504184"	231.109851	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Hac-H"	59.013851
"968446"	239.076151	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-H+NaCOOH"	66.980151
"118448"	207.065402	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+2Cl"	69.938804
"560196"	293.113402	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+2Cl"	69.938804
"1033371"	121.017402	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2Cl"	69.938804
"1255136"	251.014885	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Br"	78.918885
"1319045"	253.070872	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Cl+HCOOH"	80.974872
"1333624"	275.052829	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Cl+NaCOOH"	102.956829
"926508"	285.081586	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M-H+CF3COOH"	112.985586
"1303704"	321.058264	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Cl+CF3COOH"	148.962264
"1382230"	137.083324	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H-2H2O"	-35.012676
"1397415"	155.0933	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H-H2O"	-17.0027
"297831"	345.199276	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+H"	1.007276
"691223"	517.295276	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+H"	1.007276
"1366911"	173.103276	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H"	1.007276
"141069"	173.103276	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+2H"	2.014552
"580386"	259.151276	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+2H"	2.014552
"1051373"	87.055276	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2H"	2.014552
"219034"	115.737942666667	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+3H"	3.021828
"657862"	173.103276	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+3H"	3.021828
"1170517"	58.3726093333333	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+3H"	3.021828
"437072"	362.225823	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+NH4"	18.033823
"799161"	534.321823	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+NH4"	18.033823
"1692212"	190.129823	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+NH4"	18.033823
"339398"	181.6165495	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+H+NH4"	19.041099
"734006"	267.6645495	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+H+NH4"	19.041099
"1485639"	95.5685495	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H+NH4"	19.041099
"402132"	367.181218	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+Na"	22.989218
"757659"	539.277218	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+Na"	22.989218
"1607943"	195.085218	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Na"	22.989218
"317981"	184.094247	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+H+Na"	23.996494
"713684"	270.142247	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+H+Na"	23.996494
"1469693"	98.046247	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H+Na"	23.996494
"1060752"	65.6999233333333	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2H+Na"	25.00377
"1265711"	205.129486	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+CH3OH+H"	33.033486
"388659"	383.155158	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+K"	38.963158
"750749"	555.251158	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+K"	38.963158
"1549521"	211.059158	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+K"	38.963158
"309978"	192.081217	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+H+K"	39.970434
"700213"	278.129217	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+H+K"	39.970434
"1452940"	106.033217	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H+K"	39.970434
"240450"	386.225826	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+ACN+H"	42.033826
"1225074"	214.129826	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+ACN+H"	42.033826
"1208468"	107.568551	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+ACN+2H"	43.041102
"202919"	389.16316	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+2Na-H"	44.97116
"642723"	561.25916	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+2Na-H"	44.97116
"1145009"	217.06716	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2Na-H"	44.97116
"183927"	195.085218	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+2Na"	45.978436
"627379"	281.133218	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+2Na"	45.978436
"1130765"	109.037218	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2Na"	45.978436
"1412228"	73.0272373333333	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H+2Na"	46.985712
"1444957"	219.108746	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H+HCOOH"	47.012746
"234898"	200.11824	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+3H2O+2H"	56.04448
"1523769"	233.16079	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+IsoProp+H"	61.06479
"418995"	203.072188	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+Na+K"	61.952376
"782178"	289.120188	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+Na+K"	61.952376
"1677418"	117.024188	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Na+K"	61.952376
"264303"	408.207768	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+ACN+Na"	64.015768
"1237741"	236.111768	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+ACN+Na"	64.015768
"1724075"	236.135293	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+NH4+HCOOH"	64.039293
"1189428"	80.3545513333333	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+3Na"	68.967654
"1655313"	241.090688	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Na+HCOOH"	68.994688
"163267"	421.11104	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+2K-H"	76.91904
"601736"	593.20704	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+2K-H"	76.91904
"1091718"	249.01504	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2K-H"	76.91904
"146347"	211.059158	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"2M+2K"	77.926316
"584812"	297.107158	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"3M+2K"	77.926316
"1074792"	125.011158	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2K"	77.926316
"1111278"	251.029592	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2K+H"	78.933592
"1343300"	251.117207	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+DMSO+H"	79.021207
"1010733"	255.156376	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2ACN+H"	83.060376
"1531050"	256.150008	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+IsoProp+Na+H"	84.054008
"992029"	128.081826	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+2ACN+2H"	84.067652
"1589811"	257.064628	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+K+HCOOH"	84.968628
"1418751"	287.096138	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+H+CF3COOH"	115.000138
"1152319"	148.595101	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+3ACN+2H"	125.094202
"1698228"	304.122685	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+NH4+CF3COOH"	132.026685
"1637529"	309.07808	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+Na+CF3COOH"	136.98208
"1578647"	325.05202	"C18472"	"L-Capreomycidine;(2S3R)-Capreomycidine;(S)-2-Amino-2-(R)-2-iminohexahydropyrimidin-4-ylacetic acid"	"C6H12N4O2"	"172.096"	"M+K+CF3COOH"	152.95602
"809011"	190.1066	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M"	0
"985824"	171.08821	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H2O-H"	-19.01839
"77958"	125.730457333333	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-3H"	-3.021828
"510352"	189.099324	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-3H"	-3.021828
"890340"	62.3615906666667	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-3H"	-3.021828
"12194"	189.099324	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H"	-2.014552
"446288"	284.152624	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H"	-2.014552
"822998"	94.046024	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H"	-2.014552
"85179"	379.205924	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-H"	-1.007276
"523649"	569.312524	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-H"	-1.007276
"897439"	189.099324	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H"	-1.007276
"52178"	396.232471	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+NH4"	16.019271
"488333"	586.339071	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+NH4"	16.019271
"865286"	206.125871	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+NH4"	16.019271
"34528"	401.187866	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+Na"	20.974666
"478469"	591.294466	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+Na"	20.974666
"851531"	211.081266	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+Na"	20.974666
"1624708"	211.081266	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na-2H"	20.974666
"101236"	207.087663	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-H+Cl"	33.962126
"537513"	302.140963	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-H+Cl"	33.962126
"933217"	112.034363	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+Cl"	33.962126
"271047"	415.182602	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Cl"	34.969402
"663469"	605.289202	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Cl"	34.969402
"1277694"	225.076002	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl"	34.969402
"23530"	417.161806	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M-2H+K"	36.948606
"458717"	607.268406	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M-2H+K"	36.948606
"841989"	227.055206	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-2H+K"	36.948606
"1566571"	227.055206	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K-2H"	36.948606
"953359"	235.104794	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+HCOOH"	44.998194
"370482"	425.211401	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+HCOOH-H"	44.998201
"351086"	439.227051	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Hac-H"	59.013851
"1503201"	249.120451	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Hac-H"	59.013851
"965275"	257.086751	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+NaCOOH"	66.980151
"114911"	225.076002	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Cl"	69.938804
"557026"	320.129302	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Cl"	69.938804
"1032387"	130.022702	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Cl"	69.938804
"1255245"	269.025485	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Br"	78.918885
"1319276"	271.081472	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+HCOOH"	80.974872
"1335191"	293.063429	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+NaCOOH"	102.956829
"925155"	303.092186	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M-H+CF3COOH"	112.985586
"1303646"	339.068864	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Cl+CF3COOH"	148.962264
"1381973"	155.093924	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H-2H2O"	-35.012676
"1397888"	173.1039	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H-H2O"	-17.0027
"298304"	381.220476	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H"	1.007276
"689629"	571.327076	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H"	1.007276
"1364886"	191.113876	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H"	1.007276
"138872"	191.113876	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2H"	2.014552
"580252"	286.167176	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2H"	2.014552
"1049417"	96.060576	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2H"	2.014552
"216226"	127.745009333333	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+3H"	3.021828
"652504"	191.113876	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+3H"	3.021828
"1173910"	64.3761426666667	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3H"	3.021828
"433903"	398.247023	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+NH4"	18.033823
"794899"	588.353623	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+NH4"	18.033823
"1690135"	208.140423	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4"	18.033823
"335863"	199.6271495	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+NH4"	19.041099
"727556"	294.6804495	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+NH4"	19.041099
"1483560"	104.5738495	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+NH4"	19.041099
"400053"	403.202418	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Na"	22.989218
"755098"	593.309018	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Na"	22.989218
"1605137"	213.095818	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na"	22.989218
"318091"	202.104847	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+Na"	23.996494
"711605"	297.158147	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+Na"	23.996494
"1465429"	107.051547	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+Na"	23.996494
"1056488"	71.7034566666667	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2H+Na"	25.00377
"1261447"	223.140086	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+CH3OH+H"	33.033486
"387676"	419.176358	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+K"	38.963158
"747578"	609.282958	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+K"	38.963158
"1547442"	229.069758	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K"	38.963158
"310088"	210.091817	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+H+K"	39.970434
"699228"	305.145117	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+H+K"	39.970434
"1453049"	115.038517	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+K"	39.970434
"240560"	422.247026	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+H"	42.033826
"1220924"	232.140426	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+H"	42.033826
"1207725"	116.573851	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+2H"	43.041102
"202419"	425.18436	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Na-H"	44.97116
"639425"	615.29096	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Na-H"	44.97116
"1141840"	235.07776	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Na-H"	44.97116
"184037"	213.095818	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2Na"	45.978436
"625058"	308.149118	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2Na"	45.978436
"1130023"	118.042518	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2Na"	45.978436
"1405167"	79.0307706666667	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+2Na"	46.985712
"1445189"	237.119346	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+HCOOH"	47.012746
"235003"	218.12884	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+3H2O+2H"	56.04448
"1520512"	251.17139	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+H"	61.06479
"418011"	221.082788	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+Na+K"	61.952376
"783380"	316.136088	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+Na+K"	61.952376
"1675342"	126.029488	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+K"	61.952376
"262955"	444.228968	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+Na"	64.015768
"1236757"	254.122368	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+ACN+Na"	64.015768
"1723457"	254.145893	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4+HCOOH"	64.039293
"1189174"	86.3580846666667	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3Na"	68.967654
"1654331"	259.101288	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+HCOOH"	68.994688
"162283"	457.13224	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2K-H"	76.91904
"598930"	647.23884	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2K-H"	76.91904
"1091828"	267.02564	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K-H"	76.91904
"146457"	229.069758	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"2M+2K"	77.926316
"583828"	324.123058	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"3M+2K"	77.926316
"1074902"	134.016458	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K"	77.926316
"1109203"	269.040192	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2K+H"	78.933592
"1343410"	269.127807	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+DMSO+H"	79.021207
"1008656"	273.166976	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+H"	83.060376
"1533346"	274.160608	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+Na+H"	84.054008
"994326"	137.087126	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+2H"	84.067652
"1589921"	275.075228	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K+HCOOH"	84.968628
"1418861"	305.106738	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+H+CF3COOH"	115.000138
"1152429"	157.600401	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+3ACN+2H"	125.094202
"1698701"	322.133285	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+NH4+CF3COOH"	132.026685
"1637639"	327.08868	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+Na+CF3COOH"	136.98208
"1578757"	343.06262	"C18473"	"beta-Hydroxyarginine;(3S)-Hydroxy-(2S)-arginine;(2S3S)-3-Hydroxyarginine;(3S)-3-Hydroxy-L-arginine"	"C6H14N4O3"	"190.1066"	"M+K+CF3COOH"	152.95602
"809121"	112.0273	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M"	0
"985934"	93.00891	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-H2O-H"	-19.01839
"78188"	73.6775906666667	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M-3H"	-3.021828
"518073"	111.020024	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M-3H"	-3.021828
"890450"	36.3351573333333	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-3H"	-3.021828
"9024"	111.020024	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M-2H"	-2.014552
"446400"	167.033674	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M-2H"	-2.014552
"823107"	55.006374	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-2H"	-2.014552
"89664"	223.047324	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M-H"	-1.007276
"522300"	335.074624	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M-H"	-1.007276
"897549"	111.020024	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-H"	-1.007276
"49736"	240.073871	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M-2H+NH4"	16.019271
"488809"	352.101171	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M-2H+NH4"	16.019271
"869287"	128.046571	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-2H+NH4"	16.019271
"35732"	245.029266	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M-2H+Na"	20.974666
"478581"	357.056566	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M-2H+Na"	20.974666
"859662"	133.001966	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-2H+Na"	20.974666
"1624820"	133.001966	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Na-2H"	20.974666
"103534"	129.008363	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M-H+Cl"	33.962126
"538720"	185.022013	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M-H+Cl"	33.962126
"934422"	72.994713	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-H+Cl"	33.962126
"270064"	259.024002	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+Cl"	34.969402
"666495"	371.051302	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+Cl"	34.969402
"1276346"	146.996702	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Cl"	34.969402
"18659"	261.003206	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M-2H+K"	36.948606
"461017"	373.030506	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M-2H+K"	36.948606
"846473"	148.975906	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-2H+K"	36.948606
"1566681"	148.975906	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+K-2H"	36.948606
"951282"	157.025494	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-H+HCOOH"	44.998194
"371685"	269.052801	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+HCOOH-H"	44.998201
"354476"	283.068451	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+Hac-H"	59.013851
"1503311"	171.041151	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Hac-H"	59.013851
"963926"	179.007451	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-H+NaCOOH"	66.980151
"118666"	146.996702	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+2Cl"	69.938804
"562602"	203.010352	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+2Cl"	69.938804
"1034684"	90.983052	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2Cl"	69.938804
"1253168"	190.946185	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Br"	78.918885
"1319829"	193.002172	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Cl+HCOOH"	80.974872
"1335301"	214.984129	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Cl+NaCOOH"	102.956829
"924901"	225.012886	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M-H+CF3COOH"	112.985586
"1304151"	260.989564	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Cl+CF3COOH"	148.962264
"1382680"	77.014624	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H-2H2O"	-35.012676
"1398439"	95.0246	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H-H2O"	-17.0027
"298332"	225.061876	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+H"	1.007276
"691259"	337.089176	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+H"	1.007276
"1366658"	113.034576	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H"	1.007276
"141304"	113.034576	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+2H"	2.014552
"580604"	169.048226	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+2H"	2.014552
"1052201"	57.020926	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2H"	2.014552
"218522"	75.6921426666667	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+3H"	3.021828
"655896"	113.034576	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+3H"	3.021828
"1176572"	38.3497093333333	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+3H"	3.021828
"438022"	242.088423	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+NH4"	18.033823
"799381"	354.115723	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+NH4"	18.033823
"1690245"	130.061123	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+NH4"	18.033823
"338524"	121.5478495	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+H+NH4"	19.041099
"732039"	177.5614995	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+H+NH4"	19.041099
"1486951"	65.5341995	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H+NH4"	19.041099
"399074"	247.043818	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+Na"	22.989218
"757882"	359.071118	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+Na"	22.989218
"1604032"	135.016518	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Na"	22.989218
"319294"	124.025547	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+H+Na"	23.996494
"711716"	180.039197	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+H+Na"	23.996494
"1466632"	68.011897	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H+Na"	23.996494
"1056598"	45.6770233333333	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2H+Na"	25.00377
"1263744"	145.060786	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+CH3OH+H"	33.033486
"386693"	263.017758	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+K"	38.963158
"748781"	375.045058	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+K"	38.963158
"1547552"	150.990458	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+K"	38.963158
"310198"	132.012517	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+H+K"	39.970434
"700432"	188.026167	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+H+K"	39.970434
"1454252"	75.998867	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H+K"	39.970434
"245042"	266.088426	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+ACN+H"	42.033826
"1222127"	154.061126	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+ACN+H"	42.033826
"1208199"	77.534201	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+ACN+2H"	43.041102
"202165"	269.02576	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+2Na-H"	44.97116
"640628"	381.05306	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+2Na-H"	44.97116
"1144501"	156.99846	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2Na-H"	44.97116
"181959"	135.016518	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+2Na"	45.978436
"624437"	191.030168	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+2Na"	45.978436
"1128308"	79.002868	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2Na"	45.978436
"1405639"	53.0043373333333	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H+2Na"	46.985712
"1444930"	159.040046	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H+HCOOH"	47.012746
"234625"	140.04954	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+3H2O+2H"	56.04448
"1524139"	173.09209	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+IsoProp+H"	61.06479
"417028"	143.003488	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+Na+K"	61.952376
"782397"	199.017138	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+Na+K"	61.952376
"1679825"	86.989838	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Na+K"	61.952376
"261971"	288.070368	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+ACN+Na"	64.015768
"1232494"	176.043068	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+ACN+Na"	64.015768
"1722473"	176.066593	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+NH4+HCOOH"	64.039293
"1188918"	60.3316513333333	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+3Na"	68.967654
"1656625"	181.021988	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Na+HCOOH"	68.994688
"162393"	300.97364	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+2K-H"	76.91904
"601223"	413.00094	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+2K-H"	76.91904
"1089748"	188.94634	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2K-H"	76.91904
"148752"	150.990458	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"2M+2K"	77.926316
"583208"	207.004108	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"3M+2K"	77.926316
"1076103"	94.976808	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2K"	77.926316
"1110408"	190.960892	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2K+H"	78.933592
"1337192"	191.048507	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+DMSO+H"	79.021207
"1009130"	195.087676	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2ACN+H"	83.060376
"1536736"	196.081308	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+IsoProp+Na+H"	84.054008
"994437"	98.047476	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+2ACN+2H"	84.067652
"1594405"	196.995928	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+K+HCOOH"	84.968628
"1420064"	227.027438	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+H+CF3COOH"	115.000138
"1150352"	118.560751	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+3ACN+2H"	125.094202
"1698816"	244.053985	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+NH4+CF3COOH"	132.026685
"1644310"	249.00938	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+Na+CF3COOH"	136.98208
"1578867"	264.98332	"C18474"	"Maleic hydrazide"	"C4H4N2O2"	"112.0273"	"M+K+CF3COOH"	152.95602
"811420"	149.0971	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M"	0
"979486"	130.07871	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-H2O-H"	-19.01839
"74287"	98.3907906666667	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M-3H"	-3.021828
"512754"	148.089824	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M-3H"	-3.021828
"890556"	48.6917573333333	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-3H"	-3.021828
"10228"	148.089824	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M-2H"	-2.014552
"441038"	222.638374	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M-2H"	-2.014552
"830876"	73.541274	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-2H"	-2.014552
"87589"	297.186924	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M-H"	-1.007276
"524964"	446.284024	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M-H"	-1.007276
"898391"	148.089824	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-H"	-1.007276
"50576"	314.213471	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M-2H+NH4"	16.019271
"490866"	463.310571	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M-2H+NH4"	16.019271
"869398"	165.116371	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-2H+NH4"	16.019271
"44232"	319.168866	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M-2H+Na"	20.974666
"475773"	468.265966	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M-2H+Na"	20.974666
"851751"	170.071766	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-2H+Na"	20.974666
"1621649"	170.071766	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Na-2H"	20.974666
"95991"	166.078163	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M-H+Cl"	33.962126
"535550"	240.626713	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M-H+Cl"	33.962126
"933440"	91.529613	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-H+Cl"	33.962126
"269081"	333.163602	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+Cl"	34.969402
"664421"	482.260702	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+Cl"	34.969402
"1275001"	184.066502	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Cl"	34.969402
"17069"	335.142806	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M-2H+K"	36.948606
"461126"	484.239906	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M-2H+K"	36.948606
"845490"	186.045706	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-2H+K"	36.948606
"1565699"	186.045706	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+K-2H"	36.948606
"953581"	194.095294	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-H+HCOOH"	44.998194
"373619"	343.192401	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+HCOOH-H"	44.998201
"357502"	357.208051	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+Hac-H"	59.013851
"1503421"	208.110951	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Hac-H"	59.013851
"962943"	216.077251	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-H+NaCOOH"	66.980151
"117683"	184.066502	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+2Cl"	69.938804
"559432"	258.615052	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+2Cl"	69.938804
"1027140"	109.517952	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2Cl"	69.938804
"1254009"	228.015985	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Br"	78.918885
"1317550"	230.071972	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Cl+HCOOH"	80.974872
"1333224"	252.053929	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Cl+NaCOOH"	102.956829
"916629"	262.082686	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M-H+CF3COOH"	112.985586
"1300990"	298.059364	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Cl+CF3COOH"	148.962264
"1381339"	114.084424	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H-2H2O"	-35.012676
"1398110"	132.0944	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H-H2O"	-17.0027
"298431"	299.201476	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+H"	1.007276
"688761"	448.298576	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+H"	1.007276
"1364741"	150.104376	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H"	1.007276
"141251"	150.104376	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+2H"	2.014552
"581246"	224.652926	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+2H"	2.014552
"1052068"	75.555826	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2H"	2.014552
"215354"	100.405342666667	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+3H"	3.021828
"652725"	150.104376	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+3H"	3.021828
"1175224"	50.7063093333333	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+3H"	3.021828
"437402"	316.228023	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+NH4"	18.033823
"798397"	465.325123	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+NH4"	18.033823
"1691449"	167.130923	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+NH4"	18.033823
"339728"	158.6176495	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+H+NH4"	19.041099
"728868"	233.1661995	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+H+NH4"	19.041099
"1482687"	84.0690995	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H+NH4"	19.041099
"395900"	321.183418	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+Na"	22.989218
"756899"	470.280518	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+Na"	22.989218
"1603901"	172.086318	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Na"	22.989218
"319404"	161.095347	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+H+Na"	23.996494
"709641"	235.643897	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+H+Na"	23.996494
"1465648"	86.546797	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H+Na"	23.996494
"1055977"	58.0336233333333	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2H+Na"	25.00377
"1260574"	182.130586	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+CH3OH+H"	33.033486
"387897"	337.157358	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+K"	38.963158
"746705"	486.254458	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+K"	38.963158
"1553864"	188.060258	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+K"	38.963158
"311767"	169.082317	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+H+K"	39.970434
"704919"	243.630867	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+H+K"	39.970434
"1457281"	94.533767	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H+K"	39.970434
"249897"	340.228026	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+ACN+H"	42.033826
"1221873"	191.130926	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+ACN+H"	42.033826
"1206852"	96.069101	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+ACN+2H"	43.041102
"200451"	343.16536	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+2Na-H"	44.97116
"640010"	492.26246	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+2Na-H"	44.97116
"1140964"	194.06826	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2Na-H"	44.97116
"177696"	172.086318	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+2Na"	45.978436
"625277"	246.634868	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+2Na"	45.978436
"1128418"	97.537768	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2Na"	45.978436
"1404657"	65.3609373333333	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H+2Na"	46.985712
"1443704"	196.109846	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H+HCOOH"	47.012746
"234492"	177.11934	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+3H2O+2H"	56.04448
"1523612"	210.16189	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+IsoProp+H"	61.06479
"416045"	180.073288	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+Na+K"	61.952376
"781413"	254.621838	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+Na+K"	61.952376
"1678842"	105.524738	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Na+K"	61.952376
"262081"	362.209968	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+ACN+Na"	64.015768
"1234790"	213.112868	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+ACN+Na"	64.015768
"1723311"	213.136393	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+NH4+HCOOH"	64.039293
"1190122"	72.6882513333333	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+3Na"	68.967654
"1657829"	218.091788	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Na+HCOOH"	68.994688
"158738"	375.11324	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+2K-H"	76.91904
"599880"	524.21034	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+2K-H"	76.91904
"1088764"	226.01614	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2K-H"	76.91904
"146676"	188.060258	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"2M+2K"	77.926316
"586234"	262.608808	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"3M+2K"	77.926316
"1076943"	113.511708	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2K"	77.926316
"1106142"	228.030692	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2K+H"	78.933592
"1339248"	228.118307	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+DMSO+H"	79.021207
"1009240"	232.157476	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2ACN+H"	83.060376
"1535753"	233.151108	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+IsoProp+Na+H"	84.054008
"997827"	116.582376	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+2ACN+2H"	84.067652
"1595611"	234.065728	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+K+HCOOH"	84.968628
"1419084"	264.097238	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+H+CF3COOH"	115.000138
"1152650"	137.095651	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+3ACN+2H"	125.094202
"1698926"	281.123785	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+NH4+CF3COOH"	132.026685
"1634940"	286.07918	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+Na+CF3COOH"	136.98208
"1578977"	302.05312	"C18475"	"Mepiquat chloride"	"C7H16NCl"	"149.0971"	"M+K+CF3COOH"	152.95602
"809341"	319.1451	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M"	0
"988343"	300.12671	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-H2O-H"	-19.01839
"75490"	211.756124	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M-3H"	-3.021828
"517603"	318.137824	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M-3H"	-3.021828
"893582"	105.374424	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-3H"	-3.021828
"9245"	318.137824	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M-2H"	-2.014552
"443334"	477.710374	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M-2H"	-2.014552
"830865"	158.565274	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-2H"	-2.014552
"89885"	637.282924	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M-H"	-1.007276
"525074"	956.428024	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M-H"	-1.007276
"898499"	318.137824	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-H"	-1.007276
"48373"	654.309471	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M-2H+NH4"	16.019271
"489152"	973.454571	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M-2H+NH4"	16.019271
"866592"	335.164371	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-2H+NH4"	16.019271
"42516"	659.264866	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M-2H+Na"	20.974666
"476612"	978.409966	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M-2H+Na"	20.974666
"854413"	340.119766	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-2H+Na"	20.974666
"1625039"	340.119766	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Na-2H"	20.974666
"97195"	336.126163	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M-H+Cl"	33.962126
"535660"	495.698713	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M-H+Cl"	33.962126
"932457"	176.553613	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-H+Cl"	33.962126
"270285"	673.259602	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+Cl"	34.969402
"663438"	992.404702	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+Cl"	34.969402
"1273653"	354.114502	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Cl"	34.969402
"16693"	675.238806	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M-2H+K"	36.948606
"457957"	994.383906	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M-2H+K"	36.948606
"847058"	356.093706	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-2H+K"	36.948606
"1564715"	356.093706	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+K-2H"	36.948606
"954420"	364.143294	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-H+HCOOH"	44.998194
"370813"	683.288401	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+HCOOH-H"	44.998201
"356883"	697.304051	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+Hac-H"	59.013851
"1500249"	378.158951	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Hac-H"	59.013851
"962688"	386.125251	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-H+NaCOOH"	66.980151
"114513"	354.114502	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+2Cl"	69.938804
"552981"	513.687052	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+2Cl"	69.938804
"1031623"	194.541952	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2Cl"	69.938804
"1254483"	398.063985	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Br"	78.918885
"1314742"	400.119972	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Cl+HCOOH"	80.974872
"1327864"	422.101929	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Cl+NaCOOH"	102.956829
"920017"	432.130686	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M-H+CF3COOH"	112.985586
"1301100"	468.107364	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Cl+CF3COOH"	148.962264
"1378168"	284.132424	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H-2H2O"	-35.012676
"1394569"	302.1424	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H-H2O"	-17.0027
"294984"	639.297476	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+H"	1.007276
"684489"	958.442576	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+H"	1.007276
"1361935"	320.152376	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H"	1.007276
"139199"	320.152376	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+2H"	2.014552
"580219"	479.724926	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+2H"	2.014552
"1050478"	160.579826	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2H"	2.014552
"216556"	213.770676	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+3H"	3.021828
"653928"	320.152376	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+3H"	3.021828
"1174969"	107.388976	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+3H"	3.021828
"436419"	656.324023	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+NH4"	18.033823
"795226"	975.469123	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+NH4"	18.033823
"1690464"	337.178923	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+NH4"	18.033823
"338743"	328.6656495	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+H+NH4"	19.041099
"730070"	488.2381995	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+H+NH4"	19.041099
"1482799"	169.0930995	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H+NH4"	19.041099
"396011"	661.279418	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+Na"	22.989218
"754375"	980.424518	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+Na"	22.989218
"1606199"	342.134318	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Na"	22.989218
"319518"	331.143347	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+H+Na"	23.996494
"709023"	490.715897	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+H+Na"	23.996494
"1465760"	171.570797	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H+Na"	23.996494
"1055724"	114.71629	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2H+Na"	25.00377
"1263965"	352.178586	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+CH3OH+H"	33.033486
"385820"	677.253358	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+K"	38.963158
"749002"	996.398458	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+K"	38.963158
"1552880"	358.108258	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+K"	38.963158
"312243"	339.130317	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+H+K"	39.970434
"705029"	498.702867	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+H+K"	39.970434
"1458119"	179.557767	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H+K"	39.970434
"250250"	680.324026	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+ACN+H"	42.033826
"1221983"	361.178926	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+ACN+H"	42.033826
"1207326"	181.093101	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+ACN+2H"	43.041102
"200925"	683.26136	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+2Na-H"	44.97116
"641577"	1002.40646	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+2Na-H"	44.97116
"1142167"	364.11626	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2Na-H"	44.97116
"181084"	342.134318	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+2Na"	45.978436
"626117"	501.706868	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+2Na"	45.978436
"1130717"	182.561768	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2Na"	45.978436
"1404403"	122.043604	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H+2Na"	46.985712
"1442359"	366.157846	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H+HCOOH"	47.012746
"232053"	347.16734	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+3H2O+2H"	56.04448
"1523601"	380.20989	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+IsoProp+H"	61.06479
"424063"	350.121288	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+Na+K"	61.952376
"781523"	509.693838	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+Na+K"	61.952376
"1676765"	190.548738	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Na+K"	61.952376
"260003"	702.305968	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+ACN+Na"	64.015768
"1235993"	383.160868	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+ACN+Na"	64.015768
"1721962"	383.184393	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+NH4+HCOOH"	64.039293
"1189142"	129.370918	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+3Na"	68.967654
"1658670"	388.139788	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Na+HCOOH"	68.994688
"160429"	715.20924	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+2K-H"	76.91904
"602178"	1034.35434	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+2K-H"	76.91904
"1091063"	396.06414	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2K-H"	76.91904
"147881"	358.108258	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"2M+2K"	77.926316
"585981"	517.680808	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"3M+2K"	77.926316
"1076691"	198.535708	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2K"	77.926316
"1108441"	398.078692	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2K+H"	78.933592
"1336439"	398.166307	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+DMSO+H"	79.021207
"1010444"	402.205476	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2ACN+H"	83.060376
"1537807"	403.199108	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+IsoProp+Na+H"	84.054008
"999031"	201.606376	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+2ACN+2H"	84.067652
"1595721"	404.113728	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+K+HCOOH"	84.968628
"1419194"	434.145238	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+H+CF3COOH"	115.000138
"1152760"	222.119651	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+3ACN+2H"	125.094202
"1699036"	451.171785	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+NH4+CF3COOH"	132.026685
"1634684"	456.12718	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+Na+CF3COOH"	136.98208
"1582367"	472.10112	"C18476"	"Metconazole"	"C17H22ClN3O"	"319.1451"	"M+K+CF3COOH"	152.95602
"809451"	288.1142	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M"	0
"979706"	269.09581	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-H2O-H"	-19.01839
"74507"	191.068857333333	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M-3H"	-3.021828
"512974"	287.106924	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M-3H"	-3.021828
"892962"	95.0307906666666	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-3H"	-3.021828
"9355"	287.106924	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M-2H"	-2.014552
"442717"	431.164024	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M-2H"	-2.014552
"830611"	143.049824	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-2H"	-2.014552
"89996"	575.221124	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M-H"	-1.007276
"522997"	863.335324	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M-H"	-1.007276
"896663"	287.106924	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-H"	-1.007276
"47875"	592.247671	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M-2H+NH4"	16.019271
"488289"	880.361871	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M-2H+NH4"	16.019271
"866336"	304.133471	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-2H+NH4"	16.019271
"42626"	597.203066	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M-2H+Na"	20.974666
"474169"	885.317266	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M-2H+Na"	20.974666
"852336"	309.088866	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-2H+Na"	20.974666
"1620046"	309.088866	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Na-2H"	20.974666
"95482"	305.095263	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M-H+Cl"	33.962126
"535770"	449.152363	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M-H+Cl"	33.962126
"932567"	161.038163	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-H+Cl"	33.962126
"270031"	611.197802	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+Cl"	34.969402
"663548"	899.312002	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+Cl"	34.969402
"1273438"	323.083602	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Cl"	34.969402
"16032"	613.177006	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M-2H+K"	36.948606
"458067"	901.291206	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M-2H+K"	36.948606
"844616"	325.062806	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-2H+K"	36.948606
"1567011"	325.062806	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+K-2H"	36.948606
"950521"	333.112394	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-H+HCOOH"	44.998194
"368735"	621.226601	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+HCOOH-H"	44.998201
"353712"	635.242251	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+Hac-H"	59.013851
"1495984"	347.128051	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Hac-H"	59.013851
"960610"	355.094351	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-H+NaCOOH"	66.980151
"111461"	323.083602	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+2Cl"	69.938804
"551268"	467.140702	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+2Cl"	69.938804
"1024077"	179.026502	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2Cl"	69.938804
"1248029"	367.033085	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Br"	78.918885
"1311571"	369.089072	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Cl+HCOOH"	80.974872
"1327974"	391.071029	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Cl+NaCOOH"	102.956829
"917940"	401.099786	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M-H+CF3COOH"	112.985586
"1294650"	437.076464	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Cl+CF3COOH"	148.962264
"1377184"	253.101524	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H-2H2O"	-35.012676
"1393586"	271.1115	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H-H2O"	-17.0027
"296551"	577.235676	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+H"	1.007276
"682411"	865.349876	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+H"	1.007276
"1358765"	289.121476	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H"	1.007276
"133841"	289.121476	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+2H"	2.014552
"578141"	433.178576	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+2H"	2.014552
"1048399"	145.064376	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2H"	2.014552
"213386"	193.083409333333	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+3H"	3.021828
"651852"	289.121476	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+3H"	3.021828
"1173256"	97.0453426666667	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+3H"	3.021828
"436163"	594.262223	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+NH4"	18.033823
"796429"	882.376423	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+NH4"	18.033823
"1688386"	306.148023	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+NH4"	18.033823
"336664"	297.6347495	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+H+NH4"	19.041099
"725806"	441.6918495	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+H+NH4"	19.041099
"1478535"	153.5776495	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H+NH4"	19.041099
"394295"	599.217618	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+Na"	22.989218
"754686"	887.331818	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+Na"	22.989218
"1604366"	311.103418	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Na"	22.989218
"316348"	300.112447	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+H+Na"	23.996494
"709863"	444.169547	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+H+Na"	23.996494
"1463683"	156.055347	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H+Na"	23.996494
"1056199"	104.372656666667	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2H+Na"	25.00377
"1261888"	321.147686	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+CH3OH+H"	33.033486
"381556"	615.191558	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+K"	38.963158
"749112"	903.305758	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+K"	38.963158
"1553718"	327.077358	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+K"	38.963158
"313080"	308.099417	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+H+K"	39.970434
"701857"	452.156517	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+H+K"	39.970434
"1455677"	164.042317	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H+K"	39.970434
"249752"	618.262226	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+ACN+H"	42.033826
"1224279"	330.148026	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+ACN+H"	42.033826
"1207433"	165.577651	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+ACN+2H"	43.041102
"201397"	621.19956	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+2Na-H"	44.97116
"641687"	909.31376	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+2Na-H"	44.97116
"1140089"	333.08536	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2Na-H"	44.97116
"180463"	311.103418	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+2Na"	45.978436
"627685"	455.160518	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+2Na"	45.978436
"1130706"	167.046318	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2Na"	45.978436
"1404877"	111.699970666667	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H+2Na"	46.985712
"1441010"	335.126946	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H+HCOOH"	47.012746
"229247"	316.13644	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+3H2O+2H"	56.04448
"1522778"	349.17899	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+IsoProp+H"	61.06479
"421003"	319.090388	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+Na+K"	61.952376
"779447"	463.147488	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+Na+K"	61.952376
"1676147"	175.033288	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Na+K"	61.952376
"257927"	640.244168	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+ACN+Na"	64.015768
"1235375"	352.129968	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+ACN+Na"	64.015768
"1720616"	352.153493	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+NH4+HCOOH"	64.039293
"1188889"	119.027284666667	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+3Na"	68.967654
"1659511"	357.108888	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Na+HCOOH"	68.994688
"161632"	653.14744	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+2K-H"	76.91904
"602286"	941.26164	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+2K-H"	76.91904
"1090810"	365.03324	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2K-H"	76.91904
"147992"	327.077358	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"2M+2K"	77.926316
"588643"	471.134458	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"3M+2K"	77.926316
"1076436"	183.020258	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2K"	77.926316
"1109643"	367.047792	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2K+H"	78.933592
"1336793"	367.135407	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+DMSO+H"	79.021207
"1012376"	371.174576	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2ACN+H"	83.060376
"1531596"	372.168208	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+IsoProp+Na+H"	84.054008
"999141"	186.090926	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+2ACN+2H"	84.067652
"1594735"	373.082828	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+K+HCOOH"	84.968628
"1420397"	403.114338	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+H+CF3COOH"	115.000138
"1152870"	206.604201	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+3ACN+2H"	125.094202
"1699146"	420.140885	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+NH4+CF3COOH"	132.026685
"1635160"	425.09628	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+Na+CF3COOH"	136.98208
"1582477"	441.07022	"C18477"	"Myclobutanil"	"C15H17ClN4"	"288.1142"	"M+K+CF3COOH"	152.95602
"809561"	388.0729	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M"	0
"984190"	369.05451	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-H2O-H"	-19.01839
"72430"	257.707990666667	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M-3H"	-3.021828
"515271"	387.065624	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M-3H"	-3.021828
"894895"	128.350357333333	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-3H"	-3.021828
"9465"	387.065624	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M-2H"	-2.014552
"444649"	581.102074	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M-2H"	-2.014552
"831935"	193.029174	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-2H"	-2.014552
"92294"	775.138524	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M-H"	-1.007276
"525294"	1163.211424	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M-H"	-1.007276
"897989"	387.065624	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-H"	-1.007276
"49446"	792.165071	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M-2H+NH4"	16.019271
"489373"	1180.237971	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M-2H+NH4"	16.019271
"866446"	404.092171	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-2H+NH4"	16.019271
"40549"	797.120466	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M-2H+Na"	20.974666
"476831"	1185.193366	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M-2H+Na"	20.974666
"855726"	409.047566	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-2H+Na"	20.974666
"1623072"	409.047566	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Na-2H"	20.974666
"101788"	405.053963	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M-H+Cl"	33.962126
"539160"	599.090413	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M-H+Cl"	33.962126
"934864"	211.017513	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-H+Cl"	33.962126
"276702"	811.115202	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+Cl"	34.969402
"666938"	1199.188102	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+Cl"	34.969402
"1276061"	423.042302	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Cl"	34.969402
"17645"	813.094406	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M-2H+K"	36.948606
"461457"	1201.167306	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M-2H+K"	36.948606
"839259"	425.021506	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-2H+K"	36.948606
"1562747"	425.021506	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+K-2H"	36.948606
"945164"	433.071094	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-H+HCOOH"	44.998194
"369938"	821.144001	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+HCOOH-H"	44.998201
"353823"	835.159651	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+Hac-H"	59.013851
"1499374"	447.086751	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Hac-H"	59.013851
"962541"	455.053051	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-H+NaCOOH"	66.980151
"112177"	423.042302	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+2Cl"	69.938804
"552107"	617.078752	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+2Cl"	69.938804
"1024186"	229.005852	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2Cl"	69.938804
"1245952"	466.991785	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Br"	78.918885
"1310588"	469.047772	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Cl+HCOOH"	80.974872
"1326991"	491.029729	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Cl+NaCOOH"	102.956829
"922422"	501.058486	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M-H+CF3COOH"	112.985586
"1294757"	537.035164	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Cl+CF3COOH"	148.962264
"1375107"	353.060224	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H-2H2O"	-35.012676
"1392602"	371.0702	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H-H2O"	-17.0027
"294474"	777.153076	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+H"	1.007276
"681427"	1165.225976	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+H"	1.007276
"1357052"	389.080176	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H"	1.007276
"131399"	389.080176	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+2H"	2.014552
"574604"	583.116626	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+2H"	2.014552
"1045594"	195.043726	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2H"	2.014552
"213496"	259.722542666667	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+3H"	3.021828
"651963"	389.080176	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+3H"	3.021828
"1172273"	130.364909333333	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+3H"	3.021828
"435543"	794.179623	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+NH4"	18.033823
"794352"	1182.252523	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+NH4"	18.033823
"1689588"	406.106723	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+NH4"	18.033823
"336774"	397.5934495	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+H+NH4"	19.041099
"725916"	591.6298995	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+H+NH4"	19.041099
"1479731"	203.5569995	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H+NH4"	19.041099
"394408"	799.135018	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+Na"	22.989218
"754798"	1187.207918	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+Na"	22.989218
"1604234"	411.062118	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Na"	22.989218
"316458"	400.071147	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+H+Na"	23.996494
"712160"	594.107597	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+H+Na"	23.996494
"1463793"	206.034697	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H+Na"	23.996494
"1055945"	137.692223333333	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2H+Na"	25.00377
"1260904"	421.106386	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+CH3OH+H"	33.033486
"383853"	815.108958	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+K"	38.963158
"750315"	1203.181858	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+K"	38.963158
"1555285"	427.036058	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+K"	38.963158
"313760"	408.058117	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+H+K"	39.970434
"701967"	602.094567	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+H+K"	39.970434
"1455787"	214.021667	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H+K"	39.970434
"249128"	818.179626	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+ACN+H"	42.033826
"1221471"	430.106726	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+ACN+H"	42.033826
"1208272"	215.557001	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+ACN+2H"	43.041102
"201507"	821.11696	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+2Na-H"	44.97116
"640704"	1209.18986	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+2Na-H"	44.97116
"1140199"	433.04406	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2Na-H"	44.97116
"180937"	411.062118	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+2Na"	45.978436
"628002"	605.098568	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+2Na"	45.978436
"1130574"	217.025668	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2Na"	45.978436
"1406809"	145.019537333333	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H+2Na"	46.985712
"1441120"	435.085646	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H+HCOOH"	47.012746
"228624"	416.09514	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+3H2O+2H"	56.04448
"1519603"	449.13769	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+IsoProp+H"	61.06479
"421112"	419.049088	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+Na+K"	61.952376
"779557"	613.085538	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+Na+K"	61.952376
"1675159"	225.012638	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Na+K"	61.952376
"261683"	840.161568	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+ACN+Na"	64.015768
"1234024"	452.088668	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+ACN+Na"	64.015768
"1721454"	452.112193	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+NH4+HCOOH"	64.039293
"1188269"	152.346851333333	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+3Na"	68.967654
"1660351"	457.067588	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Na+HCOOH"	68.994688
"162835"	853.06484	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+2K-H"	76.91904
"603489"	1241.13774	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+2K-H"	76.91904
"1091284"	464.99194	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2K-H"	76.91904
"148831"	427.036058	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"2M+2K"	77.926316
"589481"	621.072508	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"3M+2K"	77.926316
"1077640"	232.999608	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2K"	77.926316
"1108660"	467.006492	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2K+H"	78.933592
"1336781"	467.094107	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+DMSO+H"	79.021207
"1011393"	471.133276	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2ACN+H"	83.060376
"1530613"	472.126908	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+IsoProp+Na+H"	84.054008
"1000345"	236.070276	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+2ACN+2H"	84.067652
"1592659"	473.041528	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+K+HCOOH"	84.968628
"1419414"	503.073038	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+H+CF3COOH"	115.000138
"1149701"	256.583551	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+3ACN+2H"	125.094202
"1699256"	520.099585	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+NH4+CF3COOH"	132.026685
"1634541"	525.05498	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+Na+CF3COOH"	136.98208
"1582587"	541.02892	"C18478"	"Oxyquinoline sulfate"	"(C9H7NO)2H2SO4"	"388.0729"	"M+K+CF3COOH"	152.95602
"809671"	293.1295	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M"	0
"984300"	274.11111	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-H2O-H"	-19.01839
"72540"	194.412390666667	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M-3H"	-3.021828
"514288"	292.122224	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M-3H"	-3.021828
"894155"	96.7025573333333	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-3H"	-3.021828
"6295"	292.122224	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M-2H"	-2.014552
"441479"	438.686974	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M-2H"	-2.014552
"832329"	145.557474	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-2H"	-2.014552
"93375"	585.251724	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M-H"	-1.007276
"525404"	878.381224	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M-H"	-1.007276
"897370"	292.122224	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-H"	-1.007276
"49559"	602.278271	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M-2H+NH4"	16.019271
"489482"	895.407771	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M-2H+NH4"	16.019271
"866192"	309.148771	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-2H+NH4"	16.019271
"40659"	607.233666	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M-2H+Na"	20.974666
"480221"	900.363166	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M-2H+Na"	20.974666
"854743"	314.104166	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-2H+Na"	20.974666
"1622089"	314.104166	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Na-2H"	20.974666
"98619"	310.110563	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M-H+Cl"	33.962126
"540365"	456.675313	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M-H+Cl"	33.962126
"938255"	163.545813	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-H+Cl"	33.962126
"276813"	621.228402	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+Cl"	34.969402
"667048"	914.357902	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+Cl"	34.969402
"1274588"	328.098902	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Cl"	34.969402
"17875"	623.207606	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M-2H+K"	36.948606
"462660"	916.337106	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M-2H+K"	36.948606
"839369"	330.078106	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-2H+K"	36.948606
"1565044"	330.078106	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+K-2H"	36.948606
"949647"	338.127694	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-H+HCOOH"	44.998194
"370048"	631.257201	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+HCOOH-H"	44.998201
"355026"	645.272851	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+Hac-H"	59.013851
"1501671"	352.143351	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Hac-H"	59.013851
"962286"	360.109651	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-H+NaCOOH"	66.980151
"113018"	328.098902	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+2Cl"	69.938804
"552217"	474.663652	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+2Cl"	69.938804
"1026483"	181.534152	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2Cl"	69.938804
"1246062"	372.048385	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Br"	78.918885
"1310698"	374.104372	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Cl+HCOOH"	80.974872
"1328194"	396.086329	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Cl+NaCOOH"	102.956829
"919254"	406.115086	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M-H+CF3COOH"	112.985586
"1294867"	442.091764	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Cl+CF3COOH"	148.962264
"1370843"	258.116824	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H-2H2O"	-35.012676
"1390525"	276.1268	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H-H2O"	-17.0027
"293491"	587.266276	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+H"	1.007276
"679351"	880.395776	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+H"	1.007276
"1355701"	294.136776	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H"	1.007276
"130781"	294.136776	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+2H"	2.014552
"573620"	440.701526	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+2H"	2.014552
"1042424"	147.572026	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2H"	2.014552
"211420"	196.426942666667	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+3H"	3.021828
"650979"	294.136776	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+3H"	3.021828
"1171289"	98.7171093333333	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+3H"	3.021828
"430186"	604.292823	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+NH4"	18.033823
"794462"	897.422323	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+NH4"	18.033823
"1687146"	311.163323	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+NH4"	18.033823
"334695"	302.6500495	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+H+NH4"	19.041099
"725294"	449.2147995	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+H+NH4"	19.041099
"1479842"	156.0852995	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H+NH4"	19.041099
"393788"	609.248218	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+Na"	22.989218
"754502"	902.377718	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+Na"	22.989218
"1604344"	316.118718	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Na"	22.989218
"314622"	305.127747	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+H+Na"	23.996494
"708990"	451.692497	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+H+Na"	23.996494
"1462201"	158.562997	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H+Na"	23.996494
"1053502"	106.044423333333	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2H+Na"	25.00377
"1258219"	326.162986	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+CH3OH+H"	33.033486
"380683"	625.222158	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+K"	38.963158
"747145"	918.351658	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+K"	38.963158
"1552479"	332.092658	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+K"	38.963158
"312571"	313.114717	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+H+K"	39.970434
"702077"	459.679467	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+H+K"	39.970434
"1455897"	166.549967	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H+K"	39.970434
"248509"	628.292826	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+ACN+H"	42.033826
"1222310"	335.163326	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+ACN+H"	42.033826
"1208018"	168.085301	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+ACN+2H"	43.041102
"199429"	631.23016	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+2Na-H"	44.97116
"641179"	924.35966	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+2Na-H"	44.97116
"1139579"	338.10066	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2Na-H"	44.97116
"182502"	316.118718	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+2Na"	45.978436
"627422"	462.683468	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+2Na"	45.978436
"1130320"	169.553968	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2Na"	45.978436
"1410195"	113.371737333333	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H+2Na"	46.985712
"1439035"	340.142246	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H+HCOOH"	47.012746
"227640"	321.15174	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+3H2O+2H"	56.04448
"1518984"	354.19429	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+IsoProp+H"	61.06479
"418669"	324.105688	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+Na+K"	61.952376
"780759"	470.670438	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+Na+K"	61.952376
"1674904"	177.540938	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Na+K"	61.952376
"261425"	650.274768	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+ACN+Na"	64.015768
"1233042"	357.145268	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+ACN+Na"	64.015768
"1723023"	357.168793	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+NH4+HCOOH"	64.039293
"1190565"	120.699051333333	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+3Na"	68.967654
"1662282"	362.124188	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Na+HCOOH"	68.994688
"165132"	663.17804	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+2K-H"	76.91904
"603600"	956.30754	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+2K-H"	76.91904
"1091394"	370.04854	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2K-H"	76.91904
"148213"	332.092658	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"2M+2K"	77.926316
"587769"	478.657408	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"3M+2K"	77.926316
"1077752"	185.527908	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2K"	77.926316
"1107677"	372.063092	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2K+H"	78.933592
"1336040"	372.150707	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+DMSO+H"	79.021207
"1012596"	376.189876	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2ACN+H"	83.060376
"1530723"	377.183508	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+IsoProp+Na+H"	84.054008
"997176"	188.598576	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+2ACN+2H"	84.067652
"1588761"	378.098128	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+K+HCOOH"	84.968628
"1418431"	408.129638	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+H+CF3COOH"	115.000138
"1148353"	209.111851	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+3ACN+2H"	125.094202
"1698637"	425.156185	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+NH4+CF3COOH"	132.026685
"1634205"	430.11158	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+Na+CF3COOH"	136.98208
"1582697"	446.08552	"C18479"	"Paclobutrazol"	"C15H20ClN3O"	"293.1295"	"M+K+CF3COOH"	152.95602
"809781"	345.1689	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M"	0
"984410"	326.15051	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-H2O-H"	-19.01839
"73744"	229.105324	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M-3H"	-3.021828
"517314"	344.161624	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M-3H"	-3.021828
"892200"	114.049024	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-3H"	-3.021828
"8593"	344.161624	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M-2H"	-2.014552
"441955"	516.746074	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M-2H"	-2.014552
"829968"	171.577174	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-2H"	-2.014552
"92509"	689.330524	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M-H"	-1.007276
"523327"	1034.499424	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M-H"	-1.007276
"896018"	344.161624	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-H"	-1.007276
"48941"	706.357071	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M-2H+NH4"	16.019271
"487770"	1051.525971	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M-2H+NH4"	16.019271
"866667"	361.188171	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-2H+NH4"	16.019271
"45144"	711.312466	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M-2H+Na"	20.974666
"474499"	1056.481366	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M-2H+Na"	20.974666
"851573"	366.143566	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-2H+Na"	20.974666
"1620377"	366.143566	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Na-2H"	20.974666
"98729"	362.149963	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M-H+Cl"	33.962126
"540475"	534.734413	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M-H+Cl"	33.962126
"935085"	189.565513	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-H+Cl"	33.962126
"273643"	725.307202	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+Cl"	34.969402
"667158"	1070.476102	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+Cl"	34.969402
"1277374"	380.138302	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Cl"	34.969402
"17134"	727.286406	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M-2H+K"	36.948606
"461677"	1072.455306	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M-2H+K"	36.948606
"841665"	382.117506	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-2H+K"	36.948606
"1566246"	382.117506	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+K-2H"	36.948606
"949756"	390.167094	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-H+HCOOH"	44.998194
"366876"	735.336001	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+HCOOH-H"	44.998201
"352948"	749.351651	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+Hac-H"	59.013851
"1500688"	404.182751	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Hac-H"	59.013851
"959481"	412.149051	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-H+NaCOOH"	66.980151
"112763"	380.138302	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+2Cl"	69.938804
"551233"	552.722752	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+2Cl"	69.938804
"1026593"	207.553852	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2Cl"	69.938804
"1246172"	424.087785	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Br"	78.918885
"1309714"	426.143772	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Cl+HCOOH"	80.974872
"1325024"	448.125729	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Cl+NaCOOH"	102.956829
"920457"	458.154486	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M-H+CF3COOH"	112.985586
"1297163"	494.131164	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Cl+CF3COOH"	148.962264
"1376419"	310.156224	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H-2H2O"	-35.012676
"1390635"	328.1662	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H-H2O"	-17.0027
"289226"	691.345076	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+H"	1.007276
"679460"	1036.513976	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+H"	1.007276
"1356903"	346.176176	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H"	1.007276
"128699"	346.176176	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+2H"	2.014552
"570450"	518.760626	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+2H"	2.014552
"1044720"	173.591726	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2H"	2.014552
"213715"	231.119876	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+3H"	3.021828
"649995"	346.176176	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+3H"	3.021828
"1171399"	116.063576	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+3H"	3.021828
"432483"	708.371623	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+NH4"	18.033823
"793479"	1053.540523	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+NH4"	18.033823
"1688715"	363.202723	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+NH4"	18.033823
"334078"	354.6894495	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+H+NH4"	19.041099
"726498"	527.2738995	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+H+NH4"	19.041099
"1479589"	182.1049995	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H+NH4"	19.041099
"392927"	713.327018	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+Na"	22.989218
"754299"	1058.495918	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+Na"	22.989218
"1602862"	368.158118	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Na"	22.989218
"314316"	357.167147	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+H+Na"	23.996494
"707519"	529.751597	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+H+Na"	23.996494
"1462920"	184.582697	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H+Na"	23.996494
"1053248"	123.39089	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2H+Na"	25.00377
"1257105"	378.202386	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+CH3OH+H"	33.033486
"377755"	729.300958	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+K"	38.963158
"747255"	1074.469858	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+K"	38.963158
"1551496"	384.132058	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+K"	38.963158
"312317"	365.154117	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+H+K"	39.970434
"702187"	537.738567	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+H+K"	39.970434
"1452727"	192.569667	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H+K"	39.970434
"249348"	732.371626	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+ACN+H"	42.033826
"1219504"	387.202726	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+ACN+H"	42.033826
"1207397"	194.105001	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+ACN+2H"	43.041102
"200269"	735.30896	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+2Na-H"	44.97116
"642385"	1080.47786	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+2Na-H"	44.97116
"1141512"	390.14006	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2Na-H"	44.97116
"181521"	368.158118	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+2Na"	45.978436
"627049"	540.742568	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+2Na"	45.978436
"1129581"	195.573668	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2Na"	45.978436
"1412372"	130.718204	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H+2Na"	46.985712
"1439145"	392.181646	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H+HCOOH"	47.012746
"227750"	373.19114	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+3H2O+2H"	56.04448
"1519094"	406.23369	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+IsoProp+H"	61.06479
"417686"	376.145088	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+Na+K"	61.952376
"778682"	548.729538	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+Na+K"	61.952376
"1675014"	203.560638	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Na+K"	61.952376
"260807"	754.353568	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+ACN+Na"	64.015768
"1233881"	409.184668	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+ACN+Na"	64.015768
"1722040"	409.208193	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+NH4+HCOOH"	64.039293
"1189582"	138.045518	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+3Na"	68.967654
"1662755"	414.163588	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Na+HCOOH"	68.994688
"163056"	767.25684	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+2K-H"	76.91904
"602618"	1112.42574	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+2K-H"	76.91904
"1090411"	422.08794	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2K-H"	76.91904
"147229"	384.132058	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"2M+2K"	77.926316
"588972"	556.716508	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"3M+2K"	77.926316
"1076767"	211.547608	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2K"	77.926316
"1105601"	424.102492	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2K+H"	78.933592
"1336029"	424.190107	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+DMSO+H"	79.021207
"1011613"	428.229276	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2ACN+H"	83.060376
"1531926"	429.222908	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+IsoProp+Na+H"	84.054008
"998379"	214.618276	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+2ACN+2H"	84.067652
"1587778"	430.137528	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+K+HCOOH"	84.968628
"1418541"	460.169038	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+H+CF3COOH"	115.000138
"1148464"	235.131551	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+3ACN+2H"	125.094202
"1699476"	477.195585	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+NH4+CF3COOH"	132.026685
"1635247"	482.15098	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+Na+CF3COOH"	136.98208
"1582807"	498.12492	"C18480"	"Pefurazoate"	"C18H23N3O4"	"345.1689"	"M+K+CF3COOH"	152.95602
"809891"	483.0636	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M"	0
"980146"	464.04521	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-H2O-H"	-19.01839
"74947"	321.035124	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M-3H"	-3.021828
"514508"	482.056324	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M-3H"	-3.021828
"894860"	160.013924	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-3H"	-3.021828
"11983"	482.056324	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M-2H"	-2.014552
"441701"	723.588124	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M-2H"	-2.014552
"829349"	240.524524	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-2H"	-2.014552
"89340"	965.119924	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M-H"	-1.007276
"521251"	1448.183524	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M-H"	-1.007276
"897591"	482.056324	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-H"	-1.007276
"48320"	982.146471	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M-2H+NH4"	16.019271
"488607"	1465.210071	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M-2H+NH4"	16.019271
"867872"	499.082871	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-2H+NH4"	16.019271
"43067"	987.101866	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M-2H+Na"	20.974666
"473879"	1470.165466	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M-2H+Na"	20.974666
"854963"	504.038266	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-2H+Na"	20.974666
"1623403"	504.038266	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Na-2H"	20.974666
"102119"	500.044663	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M-H+Cl"	33.962126
"539492"	741.576463	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M-H+Cl"	33.962126
"936288"	258.512863	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-H+Cl"	33.962126
"277033"	1001.096602	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+Cl"	34.969402
"668362"	1484.160202	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+Cl"	34.969402
"1274205"	518.033002	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Cl"	34.969402
"15945"	1003.075806	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M-2H+K"	36.948606
"457413"	1486.139406	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M-2H+K"	36.948606
"841777"	520.012206	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-2H+K"	36.948606
"1566358"	520.012206	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+K-2H"	36.948606
"950961"	528.061794	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-H+HCOOH"	44.998194
"370268"	1011.125401	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+HCOOH-H"	44.998201
"354154"	1025.141051	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+Hac-H"	59.013851
"1500798"	542.077451	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Hac-H"	59.013851
"962874"	550.043751	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-H+NaCOOH"	66.980151
"113238"	518.033002	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+2Cl"	69.938804
"552436"	759.564802	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+2Cl"	69.938804
"1026703"	276.501202	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2Cl"	69.938804
"1247375"	561.982485	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Br"	78.918885
"1309824"	564.038472	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Cl+HCOOH"	80.974872
"1328416"	586.020429	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Cl+NaCOOH"	102.956829
"922754"	596.049186	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M-H+CF3COOH"	112.985586
"1297273"	632.025864	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Cl+CF3COOH"	148.962264
"1374340"	448.050924	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H-2H2O"	-35.012676
"1387464"	466.0609	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H-H2O"	-17.0027
"288242"	967.134476	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+H"	1.007276
"681757"	1450.198076	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+H"	1.007276
"1357014"	484.070876	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H"	1.007276
"132090"	484.070876	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+2H"	2.014552
"570560"	725.602676	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+2H"	2.014552
"1047018"	242.539076	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2H"	2.014552
"210548"	323.049676	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+3H"	3.021828
"649010"	484.070876	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+3H"	3.021828
"1171509"	162.028476	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+3H"	3.021828
"431501"	984.161023	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+NH4"	18.033823
"796870"	1467.224623	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+NH4"	18.033823
"1688096"	501.097423	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+NH4"	18.033823
"336009"	492.5841495	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+H+NH4"	19.041099
"728432"	734.1159495	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+H+NH4"	19.041099
"1482254"	251.0523495	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H+NH4"	19.041099
"393684"	989.116418	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+Na"	22.989218
"755737"	1472.180018	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+Na"	22.989218
"1603063"	506.052818	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Na"	22.989218
"315084"	495.061847	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+H+Na"	23.996494
"708358"	736.593647	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+H+Na"	23.996494
"1462420"	253.530047	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H+Na"	23.996494
"1053358"	169.35579	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2H+Na"	25.00377
"1258072"	516.097086	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+CH3OH+H"	33.033486
"379811"	1005.090358	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+K"	38.963158
"747365"	1488.153958	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+K"	38.963158
"1551607"	522.026758	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+K"	38.963158
"308782"	503.048817	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+H+K"	39.970434
"702297"	744.580617	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+H+K"	39.970434
"1456117"	261.517017	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H+K"	39.970434
"248729"	1008.161026	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+ACN+H"	42.033826
"1219613"	525.097426	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+ACN+H"	42.033826
"1206414"	263.052351	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+ACN+2H"	43.041102
"200014"	1011.09836	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+2Na-H"	44.97116
"643467"	1494.16196	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+2Na-H"	44.97116
"1141622"	528.03476	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2Na-H"	44.97116
"179810"	506.052818	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+2Na"	45.978436
"626306"	747.584618	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+2Na"	45.978436
"1130787"	264.521018	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2Na"	45.978436
"1412239"	176.683104	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H+2Na"	46.985712
"1439251"	530.076346	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H+HCOOH"	47.012746
"231136"	511.08584	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+3H2O+2H"	56.04448
"1521635"	544.12839	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+IsoProp+H"	61.06479
"421443"	514.039788	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+Na+K"	61.952376
"778793"	755.571588	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+Na+K"	61.952376
"1675124"	272.507988	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Na+K"	61.952376
"262740"	1030.142968	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+ACN+Na"	64.015768
"1236542"	547.079368	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+ACN+Na"	64.015768
"1722150"	547.102893	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+NH4+HCOOH"	64.039293
"1189693"	184.010418	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+3Na"	68.967654
"1661772"	552.058288	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Na+HCOOH"	68.994688
"159157"	1043.04624	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+2K-H"	76.91904
"600542"	1526.10984	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+2K-H"	76.91904
"1090520"	559.98264	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2K-H"	76.91904
"147338"	522.026758	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"2M+2K"	77.926316
"590174"	763.558558	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"3M+2K"	77.926316
"1075784"	280.494958	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2K"	77.926316
"1103524"	561.997192	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2K+H"	78.933592
"1336626"	562.084807	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+DMSO+H"	79.021207
"1010629"	566.123976	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2ACN+H"	83.060376
"1530943"	567.117608	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+IsoProp+Na+H"	84.054008
"999582"	283.565626	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+2ACN+2H"	84.067652
"1596272"	568.032228	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+K+HCOOH"	84.968628
"1427399"	598.063738	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+H+CF3COOH"	115.000138
"1150032"	304.078901	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+3ACN+2H"	125.094202
"1707241"	615.090285	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+NH4+CF3COOH"	132.026685
"1638516"	620.04568	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+Na+CF3COOH"	136.98208
"1579637"	636.01962	"C18481"	"Penoxsulam"	"C16H14F5N5O5S"	"483.0636"	"M+K+CF3COOH"	152.95602
"810001"	359.1279	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M"	0
"980256"	340.10951	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-H2O-H"	-19.01839
"71777"	238.411324	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M-3H"	-3.021828
"513524"	358.120624	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M-3H"	-3.021828
"893877"	118.702024	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-3H"	-3.021828
"12093"	358.120624	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M-2H"	-2.014552
"443998"	537.684574	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M-2H"	-2.014552
"829460"	178.556674	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-2H"	-2.014552
"91637"	717.248524	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M-H"	-1.007276
"523547"	1076.376424	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M-H"	-1.007276
"896362"	358.120624	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-H"	-1.007276
"49890"	734.275071	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M-2H+NH4"	16.019271
"488840"	1093.402971	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M-2H+NH4"	16.019271
"866890"	375.147171	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-2H+NH4"	16.019271
"43177"	739.230466	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M-2H+Na"	20.974666
"472897"	1098.358366	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M-2H+Na"	20.974666
"855073"	380.102566	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-2H+Na"	20.974666
"1626793"	380.102566	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Na-2H"	20.974666
"102229"	376.108963	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M-H+Cl"	33.962126
"539602"	555.672913	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M-H+Cl"	33.962126
"939678"	196.545013	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-H+Cl"	33.962126
"281033"	753.225202	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+Cl"	34.969402
"672846"	1112.353102	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+Cl"	34.969402
"1275408"	394.097302	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Cl"	34.969402
"16870"	755.204406	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M-2H+K"	36.948606
"461898"	1114.332306	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M-2H+K"	36.948606
"840795"	396.076506	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-2H+K"	36.948606
"1566468"	396.076506	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+K-2H"	36.948606
"951071"	404.126094	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-H+HCOOH"	44.998194
"369285"	763.254001	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+HCOOH-H"	44.998201
"355357"	777.269651	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+Hac-H"	59.013851
"1499086"	418.141751	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Hac-H"	59.013851
"959336"	426.108051	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-H+NaCOOH"	66.980151
"111160"	394.097302	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+2Cl"	69.938804
"551086"	573.661252	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+2Cl"	69.938804
"1025717"	214.533352	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2Cl"	69.938804
"1246391"	438.046785	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Br"	78.918885
"1308840"	440.102772	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Cl+HCOOH"	80.974872
"1330710"	462.084729	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Cl+NaCOOH"	102.956829
"922863"	472.113486	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M-H+CF3COOH"	112.985586
"1298477"	508.090164	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Cl+CF3COOH"	148.962264
"1374450"	324.115224	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H-2H2O"	-35.012676
"1387574"	342.1252	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H-H2O"	-17.0027
"288351"	719.263076	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+H"	1.007276
"679681"	1078.390976	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+H"	1.007276
"1352749"	360.135176	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H"	1.007276
"127825"	360.135176	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+2H"	2.014552
"570670"	539.699126	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+2H"	2.014552
"1049316"	180.571226	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2H"	2.014552
"215759"	240.425876	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+3H"	3.021828
"648029"	360.135176	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+3H"	3.021828
"1169433"	120.716576	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+3H"	3.021828
"433798"	736.289623	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+NH4"	18.033823
"796980"	1095.417523	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+NH4"	18.033823
"1687843"	377.161723	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+NH4"	18.033823
"336122"	368.6484495	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+H+NH4"	19.041099
"728543"	548.2123995	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+H+NH4"	19.041099
"1480180"	189.0844995	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H+NH4"	19.041099
"393632"	741.245018	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+Na"	22.989218
"755847"	1100.372918	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+Na"	22.989218
"1603578"	382.117118	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Na"	22.989218
"314871"	371.126147	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+H+Na"	23.996494
"709319"	550.690097	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+H+Na"	23.996494
"1465326"	191.562197	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H+Na"	23.996494
"1056385"	128.04389	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2H+Na"	25.00377
"1259157"	392.161386	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+CH3OH+H"	33.033486
"378827"	757.218958	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+K"	38.963158
"746382"	1116.346858	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+K"	38.963158
"1550624"	398.091058	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+K"	38.963158
"307798"	379.113117	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+H+K"	39.970434
"702044"	558.677067	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+H+K"	39.970434
"1455136"	199.549167	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H+K"	39.970434
"247017"	760.289626	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+ACN+H"	42.033826
"1220817"	401.161726	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+ACN+H"	42.033826
"1206159"	201.084501	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+ACN+2H"	43.041102
"200491"	763.22696	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+2Na-H"	44.97116
"642239"	1122.35486	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+2Na-H"	44.97116
"1139546"	404.09906	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2Na-H"	44.97116
"176640"	382.117118	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+2Na"	45.978436
"627878"	561.681068	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+2Na"	45.978436
"1129809"	202.553168	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2Na"	45.978436
"1413448"	135.371204	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H+2Na"	46.985712
"1440455"	406.140646	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H+HCOOH"	47.012746
"231246"	387.15014	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+3H2O+2H"	56.04448
"1522103"	420.19269	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+IsoProp+H"	61.06479
"422647"	390.104088	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+Na+K"	61.952376
"779996"	569.668038	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+Na+K"	61.952376
"1673049"	210.540138	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Na+K"	61.952376
"262121"	782.271568	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+ACN+Na"	64.015768
"1236288"	423.143668	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+ACN+Na"	64.015768
"1723355"	423.167193	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+NH4+HCOOH"	64.039293
"1187617"	142.698518	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+3Na"	68.967654
"1661882"	428.122588	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Na+HCOOH"	68.994688
"158903"	795.17484	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+2K-H"	76.91904
"598464"	1154.30274	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+2K-H"	76.91904
"1089537"	436.04694	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2K-H"	76.91904
"147447"	398.091058	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"2M+2K"	77.926316
"588098"	577.655008	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"3M+2K"	77.926316
"1076985"	218.527108	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2K"	77.926316
"1108006"	438.061492	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2K+H"	78.933592
"1336126"	438.149107	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+DMSO+H"	79.021207
"1009646"	442.188276	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2ACN+H"	83.060376
"1529960"	443.181908	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+IsoProp+Na+H"	84.054008
"996412"	221.597776	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+2ACN+2H"	84.067652
"1594195"	444.096528	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+K+HCOOH"	84.968628
"1425323"	474.128038	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+H+CF3COOH"	115.000138
"1147347"	242.111051	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+3ACN+2H"	125.094202
"1707351"	491.154585	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+NH4+CF3COOH"	132.026685
"1637532"	496.10998	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+Na+CF3COOH"	136.98208
"1579747"	512.08392	"C18482"	"Penthiopyrad"	"C16H20F3N3OS"	"359.1279"	"M+K+CF3COOH"	152.95602
"810111"	223.0303	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M"	0
"982553"	204.01191	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-H2O-H"	-19.01839
"71887"	147.679590666667	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M-3H"	-3.021828
"516914"	222.023024	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M-3H"	-3.021828
"894593"	73.3361573333333	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-3H"	-3.021828
"11103"	222.023024	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M-2H"	-2.014552
"444108"	333.538174	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M-2H"	-2.014552
"830421"	110.507874	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-2H"	-2.014552
"93449"	445.053324	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M-H"	-1.007276
"523657"	668.083624	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M-H"	-1.007276
"898539"	222.023024	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-H"	-1.007276
"50729"	462.079871	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M-2H+NH4"	16.019271
"490650"	685.110171	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M-2H+NH4"	16.019271
"867357"	239.049571	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-2H+NH4"	16.019271
"45479"	467.035266	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M-2H+Na"	20.974666
"480662"	690.065566	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M-2H+Na"	20.974666
"861744"	244.004966	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-2H+Na"	20.974666
"1632372"	244.004966	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Na-2H"	20.974666
"105620"	240.011363	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M-H+Cl"	33.962126
"546273"	351.526513	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M-H+Cl"	33.962126
"941611"	128.496213	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-H+Cl"	33.962126
"281507"	481.030002	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+Cl"	34.969402
"672956"	704.060302	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+Cl"	34.969402
"1282079"	257.999702	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Cl"	34.969402
"20261"	483.009206	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M-2H+K"	36.948606
"466383"	706.039506	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M-2H+K"	36.948606
"843090"	259.978906	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-2H+K"	36.948606
"1564389"	259.978906	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+K-2H"	36.948606
"950086"	268.028494	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-H+HCOOH"	44.998194
"370489"	491.058801	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+HCOOH-H"	44.998201
"352186"	505.074451	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+Hac-H"	59.013851
"1495916"	282.044151	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Hac-H"	59.013851
"960539"	290.010451	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-H+NaCOOH"	66.980151
"113456"	257.999702	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+2Cl"	69.938804
"553019"	369.514852	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+2Cl"	69.938804
"1022911"	146.484552	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2Cl"	69.938804
"1249780"	301.949185	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Br"	78.918885
"1313322"	304.005172	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Cl+HCOOH"	80.974872
"1330820"	325.987129	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Cl+NaCOOH"	102.956829
"922973"	336.015886	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M-H+CF3COOH"	112.985586
"1301866"	371.992564	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Cl+CF3COOH"	148.962264
"1376750"	188.017624	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H-2H2O"	-35.012676
"1388777"	206.0276	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H-H2O"	-17.0027
"288827"	447.067876	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+H"	1.007276
"682342"	670.098176	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+H"	1.007276
"1353587"	224.037576	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H"	1.007276
"130486"	224.037576	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+2H"	2.014552
"569321"	335.552726	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+2H"	2.014552
"1048332"	112.522426	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2H"	2.014552
"216233"	149.694142666667	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+3H"	3.021828
"650326"	224.037576	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+3H"	3.021828
"1170635"	75.3507093333333	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+3H"	3.021828
"431721"	464.094423	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+NH4"	18.033823
"796726"	687.124723	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+NH4"	18.033823
"1689047"	241.064123	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+NH4"	18.033823
"335138"	232.5508495	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+H+NH4"	19.041099
"728653"	344.0659995	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+H+NH4"	19.041099
"1481380"	121.0356995	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H+NH4"	19.041099
"393256"	469.049818	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+Na"	22.989218
"755104"	692.080118	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+Na"	22.989218
"1603036"	246.019518	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Na"	22.989218
"315549"	235.028547	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+H+Na"	23.996494
"707236"	346.543697	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+H+Na"	23.996494
"1463249"	123.513397	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H+Na"	23.996494
"1056496"	82.6780233333333	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2H+Na"	25.00377
"1260362"	256.063786	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+CH3OH+H"	33.033486
"382219"	485.023758	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+K"	38.963158
"747588"	708.054058	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+K"	38.963158
"1549641"	261.993458	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+K"	38.963158
"304627"	243.015517	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+H+K"	39.970434
"699237"	354.530667	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+H+K"	39.970434
"1455245"	131.500367	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H+K"	39.970434
"244939"	488.094426	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+ACN+H"	42.033826
"1217648"	265.064126	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+ACN+H"	42.033826
"1202626"	133.035701	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+ACN+2H"	43.041102
"198778"	491.03176	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+2Na-H"	44.97116
"637246"	714.06206	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+2Na-H"	44.97116
"1137469"	268.00146	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2Na-H"	44.97116
"175294"	246.019518	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+2Na"	45.978436
"627497"	357.534668	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+2Na"	45.978436
"1130889"	134.504368	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2Na"	45.978436
"1414086"	90.0053373333333	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H+2Na"	46.985712
"1438378"	270.043046	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H+HCOOH"	47.012746
"230263"	251.05254	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+3H2O+2H"	56.04448
"1521605"	284.09509	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+IsoProp+H"	61.06479
"423000"	254.006488	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+Na+K"	61.952376
"783513"	365.521638	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+Na+K"	61.952376
"1677533"	142.491338	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Na+K"	61.952376
"264418"	510.076368	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+ACN+Na"	64.015768
"1239194"	287.046068	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+ACN+Na"	64.015768
"1721278"	287.069593	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+NH4+HCOOH"	64.039293
"1191006"	97.3326513333333	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+3Na"	68.967654
"1663935"	292.024988	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Na+HCOOH"	68.994688
"160107"	522.97964	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+2K-H"	76.91904
"598937"	746.00994	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+2K-H"	76.91904
"1089648"	299.94934	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2K-H"	76.91904
"147558"	261.993458	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"2M+2K"	77.926316
"588210"	373.508608	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"3M+2K"	77.926316
"1079283"	150.478308	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2K"	77.926316
"1105929"	301.963892	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2K+H"	78.933592
"1335992"	302.051507	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+DMSO+H"	79.021207
"1011942"	306.090676	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2ACN+H"	83.060376
"1528980"	307.084308	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+IsoProp+Na+H"	84.054008
"996522"	153.548976	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+2ACN+2H"	84.067652
"1596494"	307.998928	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+K+HCOOH"	84.968628
"1423247"	338.030438	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+H+CF3COOH"	115.000138
"1153535"	174.062251	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+3ACN+2H"	125.094202
"1707462"	355.056985	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+NH4+CF3COOH"	132.026685
"1642019"	360.01238	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+Na+CF3COOH"	136.98208
"1583137"	375.98632	"C18483"	"Probenazole"	"C10H9NO3S"	"223.0303"	"M+K+CF3COOH"	152.95602
"806941"	488.968	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M"	0
"983752"	469.94961	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-H2O-H"	-19.01839
"73090"	324.971390666667	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M-3H"	-3.021828
"518246"	487.960724	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M-3H"	-3.021828
"894824"	161.982057333333	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-3H"	-3.021828
"10119"	487.960724	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M-2H"	-2.014552
"452959"	732.444724	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M-2H"	-2.014552
"829677"	243.476724	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-2H"	-2.014552
"92829"	976.928724	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M-H"	-1.007276
"523767"	1465.896724	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M-H"	-1.007276
"898286"	487.960724	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-H"	-1.007276
"51201"	993.955271	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M-2H+NH4"	16.019271
"490394"	1482.923271	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M-2H+NH4"	16.019271
"867834"	504.987271	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-2H+NH4"	16.019271
"45836"	998.910666	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M-2H+Na"	20.974666
"484055"	1487.878666	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M-2H+Na"	20.974666
"858575"	509.942666	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-2H+Na"	20.974666
"1625922"	509.942666	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Na-2H"	20.974666
"105730"	505.949063	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M-H+Cl"	33.962126
"543103"	750.433063	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M-H+Cl"	33.962126
"942659"	261.465063	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-H+Cl"	33.962126
"280772"	1012.905402	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+Cl"	34.969402
"674160"	1501.873402	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+Cl"	34.969402
"1280003"	523.937402	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Cl"	34.969402
"23652"	1014.884606	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M-2H+K"	36.948606
"465398"	1503.852606	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M-2H+K"	36.948606
"846481"	525.916606	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-2H+K"	36.948606
"1569603"	525.916606	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+K-2H"	36.948606
"953477"	533.966194	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-H+HCOOH"	44.998194
"372786"	1022.934201	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+HCOOH-H"	44.998201
"354483"	1036.949851	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+Hac-H"	59.013851
"1496024"	547.981851	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Hac-H"	59.013851
"963567"	555.948151	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-H+NaCOOH"	66.980151
"114662"	523.937402	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+2Cl"	69.938804
"557139"	768.421402	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+2Cl"	69.938804
"1027033"	279.453402	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2Cl"	69.938804
"1246611"	567.886885	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Br"	78.918885
"1307966"	569.942872	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Cl+HCOOH"	80.974872
"1333118"	591.924829	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Cl+NaCOOH"	102.956829
"923812"	601.953586	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M-H+CF3COOH"	112.985586
"1302343"	637.930264	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Cl+CF3COOH"	148.962264
"1381598"	453.955324	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H-2H2O"	-35.012676
"1391074"	471.9653	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H-H2O"	-17.0027
"291853"	978.943276	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+H"	1.007276
"682088"	1467.911276	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+H"	1.007276
"1358436"	489.975276	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H"	1.007276
"131689"	489.975276	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+2H"	2.014552
"574163"	734.459276	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+2H"	2.014552
"1041867"	245.491276	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2H"	2.014552
"211968"	326.985942666667	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+3H"	3.021828
"650435"	489.975276	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+3H"	3.021828
"1171840"	163.996609333333	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+3H"	3.021828
"437298"	995.969823	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+NH4"	18.033823
"796106"	1484.937823	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+NH4"	18.033823
"1690251"	507.001823	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+NH4"	18.033823
"336342"	498.4885495	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+H+NH4"	19.041099
"728763"	742.9725495	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+H+NH4"	19.041099
"1482585"	254.0045495	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H+NH4"	19.041099
"395797"	1000.925218	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+Na"	22.989218
"756797"	1489.893218	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+Na"	22.989218
"1605987"	511.957218	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Na"	22.989218
"320400"	500.966247	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+H+Na"	23.996494
"709540"	745.450247	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+H+Na"	23.996494
"1466641"	256.482247	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H+Na"	23.996494
"1060980"	171.323923333333	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2H+Na"	25.00377
"1264846"	522.001486	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+CH3OH+H"	33.033486
"387432"	1016.899158	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+K"	38.963158
"750614"	1505.867158	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+K"	38.963158
"1552667"	527.931158	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+K"	38.963158
"310934"	508.953217	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+H+K"	39.970434
"703357"	753.437217	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+H+K"	39.970434
"1457543"	264.469217	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H+K"	39.970434
"248695"	1019.969826	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+ACN+H"	42.033826
"1220674"	531.001826	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+ACN+H"	42.033826
"1203829"	266.004551	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+ACN+2H"	43.041102
"197793"	1022.90716	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+2Na-H"	44.97116
"638085"	1511.87516	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+2Na-H"	44.97116
"1138673"	533.93916	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2Na-H"	44.97116
"177590"	511.957218	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+2Na"	45.978436
"628366"	756.441218	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+2Na"	45.978436
"1131197"	267.473218	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2Na"	45.978436
"1414080"	178.651237333333	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H+2Na"	46.985712
"1438488"	535.980746	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H+HCOOH"	47.012746
"234749"	516.99024	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+3H2O+2H"	56.04448
"1521717"	550.03279	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+IsoProp+H"	61.06479
"424149"	519.944188	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+Na+K"	61.952376
"779128"	764.428188	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+Na+K"	61.952376
"1678740"	275.460188	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Na+K"	61.952376
"265624"	1041.951768	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+ACN+Na"	64.015768
"1236877"	552.983768	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+ACN+Na"	64.015768
"1726855"	553.007293	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+NH4+HCOOH"	64.039293
"1185650"	185.978551333333	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+3Na"	68.967654
"1662104"	557.962688	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Na+HCOOH"	68.994688
"162769"	1054.85504	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+2K-H"	76.91904
"603057"	1543.82304	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+2K-H"	76.91904
"1088663"	565.88704	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2K-H"	76.91904
"152042"	527.931158	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"2M+2K"	77.926316
"582850"	772.415158	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"3M+2K"	77.926316
"1076110"	283.447158	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2K"	77.926316
"1106039"	567.901592	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2K+H"	78.933592
"1343517"	567.989207	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+DMSO+H"	79.021207
"1011323"	572.028376	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2ACN+H"	83.060376
"1529089"	573.022008	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+IsoProp+Na+H"	84.054008
"994443"	286.517826	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+2ACN+2H"	84.067652
"1590040"	573.936628	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+K+HCOOH"	84.968628
"1417888"	603.968138	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+H+CF3COOH"	115.000138
"1147808"	307.031101	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+3ACN+2H"	125.094202
"1711583"	620.994685	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+NH4+CF3COOH"	132.026685
"1645410"	625.95008	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+Na+CF3COOH"	136.98208
"1583247"	641.92402	"C18484"	"Pyridalyl"	"C18H14Cl4F3NO3"	"488.968"	"M+K+CF3COOH"	152.95602
"807051"	318.0674	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M"	0
"983862"	299.04901	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-H2O-H"	-19.01839
"73199"	211.037657333333	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M-3H"	-3.021828
"517865"	317.060124	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M-3H"	-3.021828
"892748"	105.015190666667	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-3H"	-3.021828
"11323"	317.060124	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M-2H"	-2.014552
"449789"	476.093824	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M-2H"	-2.014552
"818117"	158.026424	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-2H"	-2.014552
"90874"	635.127524	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M-H"	-1.007276
"526064"	953.194924	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M-H"	-1.007276
"898395"	317.060124	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-H"	-1.007276
"50948"	652.154071	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M-2H+NH4"	16.019271
"490507"	970.221471	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M-2H+NH4"	16.019271
"868309"	334.086671	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-2H+NH4"	16.019271
"40226"	657.109466	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M-2H+Na"	20.974666
"480883"	975.176866	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M-2H+Na"	20.974666
"857592"	339.042066	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-2H+Na"	20.974666
"1622752"	339.042066	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Na-2H"	20.974666
"102559"	335.048463	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M-H+Cl"	33.962126
"536652"	494.082163	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M-H+Cl"	33.962126
"937822"	176.014763	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-H+Cl"	33.962126
"276380"	671.104202	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+Cl"	34.969402
"670989"	989.171602	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+Cl"	34.969402
"1280108"	353.036802	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Cl"	34.969402
"20477"	673.083406	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M-2H+K"	36.948606
"456635"	991.150806	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M-2H+K"	36.948606
"836017"	355.016006	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-2H+K"	36.948606
"1558776"	355.016006	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+K-2H"	36.948606
"948118"	363.065594	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-H+HCOOH"	44.998194
"368520"	681.133001	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+HCOOH-H"	44.998201
"349122"	695.148651	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+Hac-H"	59.013851
"1493007"	377.081251	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Hac-H"	59.013851
"959054"	385.047551	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-H+NaCOOH"	66.980151
"112947"	353.036802	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+2Cl"	69.938804
"556155"	512.070502	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+2Cl"	69.938804
"1025321"	194.003102	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2Cl"	69.938804
"1243804"	396.986285	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Br"	78.918885
"1311355"	399.042272	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Cl+HCOOH"	80.974872
"1328852"	421.024229	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Cl+NaCOOH"	102.956829
"923920"	431.052986	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M-H+CF3COOH"	112.985586
"1300994"	467.029664	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Cl+CF3COOH"	148.962264
"1378062"	283.054724	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H-2H2O"	-35.012676
"1391184"	301.0647	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H-H2O"	-17.0027
"291963"	637.142076	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+H"	1.007276
"679646"	955.209476	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+H"	1.007276
"1358546"	319.074676	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H"	1.007276
"131435"	319.074676	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+2H"	2.014552
"567711"	478.108376	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+2H"	2.014552
"1039060"	160.040976	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2H"	2.014552
"212078"	213.052209333333	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+3H"	3.021828
"651638"	319.074676	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+3H"	3.021828
"1168669"	107.029742666667	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+3H"	3.021828
"436315"	654.168623	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+NH4"	18.033823
"794030"	972.236023	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+NH4"	18.033823
"1687080"	336.101223	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+NH4"	18.033823
"335360"	327.5879495	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+H+NH4"	19.041099
"727781"	486.6216495	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+H+NH4"	19.041099
"1482696"	168.5542495	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H+NH4"	19.041099
"398094"	659.124018	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+Na"	22.989218
"754342"	977.191418	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+Na"	22.989218
"1602805"	341.056618	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Na"	22.989218
"314382"	330.065647	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+H+Na"	23.996494
"707208"	489.099347	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+H+Na"	23.996494
"1465656"	171.031947	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H+Na"	23.996494
"1052986"	114.357056666667	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2H+Na"	25.00377
"1257174"	351.100886	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+CH3OH+H"	33.033486
"378062"	675.097958	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+K"	38.963158
"746713"	993.165358	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+K"	38.963158
"1546578"	357.030558	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+K"	38.963158
"309219"	338.052617	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+H+K"	39.970434
"701642"	497.086317	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+H+K"	39.970434
"1454369"	179.018917	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H+K"	39.970434
"245159"	678.168626	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+ACN+H"	42.033826
"1219690"	360.101226	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+ACN+H"	42.033826
"1205759"	180.554251	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+ACN+2H"	43.041102
"196807"	681.10596	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+2Na-H"	44.97116
"634181"	999.17336	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+2Na-H"	44.97116
"1136594"	363.03856	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2Na-H"	44.97116
"175514"	341.056618	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+2Na"	45.978436
"628247"	500.090318	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+2Na"	45.978436
"1131319"	182.022918	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2Na"	45.978436
"1411950"	121.684370666667	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H+2Na"	46.985712
"1439690"	365.080146	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H+HCOOH"	47.012746
"230481"	346.08964	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+3H2O+2H"	56.04448
"1521827"	379.13219	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+IsoProp+H"	61.06479
"421514"	349.043588	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+Na+K"	61.952376
"779238"	508.077288	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+Na+K"	61.952376
"1676661"	190.009888	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Na+K"	61.952376
"265002"	700.150568	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+ACN+Na"	64.015768
"1239174"	382.083168	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+ACN+Na"	64.015768
"1725873"	382.106693	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+NH4+HCOOH"	64.039293
"1192321"	129.011684666667	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+3Na"	68.967654
"1665007"	387.062088	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Na+HCOOH"	68.994688
"164703"	713.05384	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+2K-H"	76.91904
"604262"	1031.12124	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+2K-H"	76.91904
"1092054"	394.98644	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2K-H"	76.91904
"153246"	357.030558	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"2M+2K"	77.926316
"585147"	516.064258	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"3M+2K"	77.926316
"1080596"	197.996858	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2K"	77.926316
"1109429"	397.000992	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2K+H"	78.933592
"1342534"	397.088607	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+DMSO+H"	79.021207
"1013255"	401.127776	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2ACN+H"	83.060376
"1528470"	402.121408	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+IsoProp+Na+H"	84.054008
"994916"	201.067526	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+2ACN+2H"	84.067652
"1589785"	403.036028	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+K+HCOOH"	84.968628
"1417998"	433.067538	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+H+CF3COOH"	115.000138
"1149007"	221.580801	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+3ACN+2H"	125.094202
"1712422"	450.094085	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+NH4+CF3COOH"	132.026685
"1645520"	455.04948	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+Na+CF3COOH"	136.98208
"1580077"	471.02342	"C18485"	"Pyriftalid"	"C15H14N2O4S"	"318.0674"	"M+K+CF3COOH"	152.95602
"807161"	361.1274	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M"	0
"983972"	342.10901	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-H2O-H"	-19.01839
"75497"	239.744324	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M-3H"	-3.021828
"516880"	360.120124	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M-3H"	-3.021828
"890672"	119.368524	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-3H"	-3.021828
"12529"	360.120124	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M-2H"	-2.014552
"449899"	540.683824	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M-2H"	-2.014552
"817253"	179.556424	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-2H"	-2.014552
"87702"	721.247524	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M-H"	-1.007276
"529454"	1082.374924	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M-H"	-1.007276
"901787"	360.120124	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-H"	-1.007276
"56161"	738.274071	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M-2H+NH4"	16.019271
"500093"	1099.401471	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M-2H+NH4"	16.019271
"871335"	377.146671	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-2H+NH4"	16.019271
"40336"	743.229466	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M-2H+Na"	20.974666
"480995"	1104.356866	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M-2H+Na"	20.974666
"858796"	382.102066	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-2H+Na"	20.974666
"1626143"	382.102066	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Na-2H"	20.974666
"107044"	378.108463	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M-H+Cl"	33.962126
"549682"	558.672163	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M-H+Cl"	33.962126
"942592"	197.544763	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-H+Cl"	33.962126
"282485"	757.224202	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+Cl"	34.969402
"674378"	1118.351602	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+Cl"	34.969402
"1284593"	396.096802	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Cl"	34.969402
"19495"	759.203406	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M-2H+K"	36.948606
"459055"	1120.330806	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M-2H+K"	36.948606
"836856"	398.076006	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-2H+K"	36.948606
"1560346"	398.076006	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+K-2H"	36.948606
"946042"	406.125594	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-H+HCOOH"	44.998194
"367538"	767.253001	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+HCOOH-H"	44.998201
"347773"	781.268651	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+Hac-H"	59.013851
"1495878"	420.141251	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Hac-H"	59.013851
"959409"	428.107551	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-H+NaCOOH"	66.980151
"112330"	396.096802	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+2Cl"	69.938804
"554079"	576.660502	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+2Cl"	69.938804
"1026525"	215.533102	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2Cl"	69.938804
"1246103"	440.046285	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Br"	78.918885
"1309280"	442.102272	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Cl+HCOOH"	80.974872
"1328962"	464.084229	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Cl+NaCOOH"	102.956829
"921115"	474.112986	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M-H+CF3COOH"	112.985586
"1295638"	510.089664	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Cl+CF3COOH"	148.962264
"1378174"	326.114724	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H-2H2O"	-35.012676
"1393482"	344.1247	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H-H2O"	-17.0027
"294260"	723.262076	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+H"	1.007276
"682309"	1084.389476	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+H"	1.007276
"1353918"	362.134676	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H"	1.007276
"130453"	362.134676	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+2H"	2.014552
"571104"	542.698376	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+2H"	2.014552
"1042453"	181.570976	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2H"	2.014552
"207449"	241.758876	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+3H"	3.021828
"650655"	362.134676	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+3H"	3.021828
"1168780"	121.383076	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+3H"	3.021828
"434238"	740.288623	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+NH4"	18.033823
"794140"	1101.416023	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+NH4"	18.033823
"1683913"	379.161223	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+NH4"	18.033823
"331098"	370.6479495	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+H+NH4"	19.041099
"725707"	551.2116495	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+H+NH4"	19.041099
"1477159"	190.0842495	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H+NH4"	19.041099
"393587"	745.244018	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+Na"	22.989218
"754702"	1106.371418	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+Na"	22.989218
"1604021"	384.116618	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Na"	22.989218
"314535"	373.125647	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+H+Na"	23.996494
"707323"	553.689347	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+H+Na"	23.996494
"1461469"	192.561947	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H+Na"	23.996494
"1052930"	128.71039	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2H+Na"	25.00377
"1257777"	394.160886	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+CH3OH+H"	33.033486
"378539"	761.217958	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+K"	38.963158
"738800"	1122.345358	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+K"	38.963158
"1548876"	400.090558	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+K"	38.963158
"304592"	381.112617	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+H+K"	39.970434
"702848"	561.676317	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+H+K"	39.970434
"1457034"	200.548917	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H+K"	39.970434
"245269"	764.288626	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+ACN+H"	42.033826
"1216884"	403.161226	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+ACN+H"	42.033826
"1207327"	202.084251	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+ACN+2H"	43.041102
"201660"	767.22596	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+2Na-H"	44.97116
"637573"	1128.35336	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+2Na-H"	44.97116
"1137801"	406.09856	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2Na-H"	44.97116
"182187"	384.116618	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+2Na"	45.978436
"627951"	564.680318	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+2Na"	45.978436
"1128173"	203.552918	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2Na"	45.978436
"1407685"	136.037704	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H+2Na"	46.985712
"1440534"	408.140146	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H+HCOOH"	47.012746
"229498"	389.14964	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+3H2O+2H"	56.04448
"1523400"	422.19219	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+IsoProp+H"	61.06479
"421629"	392.103588	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+Na+K"	61.952376
"780441"	572.667288	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+Na+K"	61.952376
"1676407"	211.539888	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Na+K"	61.952376
"264021"	786.270568	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+ACN+Na"	64.015768
"1236728"	425.143168	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+ACN+Na"	64.015768
"1724889"	425.166693	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+NH4+HCOOH"	64.039293
"1194173"	143.365018	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+3Na"	68.967654
"1665477"	430.122088	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Na+HCOOH"	68.994688
"163721"	799.17384	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+2K-H"	76.91904
"611787"	1160.30124	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+2K-H"	76.91904
"1099094"	438.04644	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2K-H"	76.91904
"154451"	400.090558	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"2M+2K"	77.926316
"590725"	580.654258	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"3M+2K"	77.926316
"1080706"	219.526858	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2K"	77.926316
"1111727"	440.060992	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2K+H"	78.933592
"1344832"	440.148607	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+DMSO+H"	79.021207
"1012272"	444.187776	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2ACN+H"	83.060376
"1530402"	445.181408	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+IsoProp+Na+H"	84.054008
"996850"	222.597526	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+2ACN+2H"	84.067652
"1590260"	446.096028	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+K+HCOOH"	84.968628
"1418108"	476.127538	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+H+CF3COOH"	115.000138
"1148393"	243.110801	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+3ACN+2H"	125.094202
"1699038"	493.154085	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+NH4+CF3COOH"	132.026685
"1645630"	498.10948	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+Na+CF3COOH"	136.98208
"1580187"	514.08342	"C18486"	"Pyriminobac-methyl"	"C17H19N3O6"	"361.1274"	"M+K+CF3COOH"	152.95602
"807271"	173.0841	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M"	0
"984082"	154.06571	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-H2O-H"	-19.01839
"75975"	114.382124	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M-3H"	-3.021828
"516265"	172.076824	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M-3H"	-3.021828
"891876"	56.687424	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-3H"	-3.021828
"10452"	172.076824	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M-2H"	-2.014552
"446730"	258.618874	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M-2H"	-2.014552
"820158"	85.534774	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-2H"	-2.014552
"87812"	345.160924	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M-H"	-1.007276
"528471"	518.245024	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M-H"	-1.007276
"898617"	172.076824	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-H"	-1.007276
"50804"	362.187471	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M-2H+NH4"	16.019271
"494737"	535.271571	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M-2H+NH4"	16.019271
"870351"	189.103371	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-2H+NH4"	16.019271
"45793"	367.142866	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M-2H+Na"	20.974666
"477825"	540.226966	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M-2H+Na"	20.974666
"856720"	194.058766	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-2H+Na"	20.974666
"1627347"	194.058766	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Na-2H"	20.974666
"102780"	190.065163	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M-H+Cl"	33.962126
"543433"	276.607213	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M-H+Cl"	33.962126
"935855"	103.523113	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-H+Cl"	33.962126
"279880"	381.137602	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+Cl"	34.969402
"672303"	554.221702	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+Cl"	34.969402
"1283612"	208.053502	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Cl"	34.969402
"22887"	383.116806	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M-2H+K"	36.948606
"460259"	556.200906	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M-2H+K"	36.948606
"837331"	210.032706	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-2H+K"	36.948606
"1558634"	210.032706	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+K-2H"	36.948606
"945787"	218.082294	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-H+HCOOH"	44.998194
"366555"	391.166401	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+HCOOH-H"	44.998201
"346790"	405.182051	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+Hac-H"	59.013851
"1494894"	232.097951	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Hac-H"	59.013851
"960251"	240.064251	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-H+NaCOOH"	66.980151
"112440"	208.053502	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+2Cl"	69.938804
"556376"	294.595552	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+2Cl"	69.938804
"1023353"	121.511452	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2Cl"	69.938804
"1245120"	252.002985	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Br"	78.918885
"1306474"	254.058972	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Cl+HCOOH"	80.974872
"1321417"	276.040929	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Cl+NaCOOH"	102.956829
"921225"	286.069686	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M-H+CF3COOH"	112.985586
"1296477"	322.046364	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Cl+CF3COOH"	148.962264
"1368805"	138.071424	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H-2H2O"	-35.012676
"1390311"	156.0814	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H-H2O"	-17.0027
"291090"	347.175476	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+H"	1.007276
"679867"	520.259576	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+H"	1.007276
"1354028"	174.091376	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H"	1.007276
"126301"	174.091376	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+2H"	2.014552
"568298"	260.633426	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+2H"	2.014552
"1038916"	87.549326	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2H"	2.014552
"215579"	116.396676	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+3H"	3.021828
"652954"	174.091376	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+3H"	3.021828
"1168890"	58.701976	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+3H"	3.021828
"438723"	364.202023	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+NH4"	18.033823
"798624"	537.286123	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+NH4"	18.033823
"1688395"	191.117923	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+NH4"	18.033823
"334489"	182.6046495	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+H+NH4"	19.041099
"728006"	269.1466995	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+H+NH4"	19.041099
"1478180"	96.0625995	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H+NH4"	19.041099
"395035"	369.157418	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+Na"	22.989218
"755420"	542.241518	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+Na"	22.989218
"1604131"	196.073318	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Na"	22.989218
"314641"	185.082347	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+H+Na"	23.996494
"709868"	271.624397	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+H+Na"	23.996494
"1466971"	98.540297	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H+Na"	23.996494
"1056936"	66.02929	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2H+Na"	25.00377
"1258615"	206.117586	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+CH3OH+H"	33.033486
"380837"	385.131358	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+K"	38.963158
"742925"	558.215458	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+K"	38.963158
"1548986"	212.047258	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+K"	38.963158
"304702"	193.069317	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+H+K"	39.970434
"701137"	279.611367	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+H+K"	39.970434
"1456414"	106.527267	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H+K"	39.970434
"246472"	388.202026	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+ACN+H"	42.033826
"1220273"	215.117926	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+ACN+H"	42.033826
"1205980"	108.062601	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+ACN+2H"	43.041102
"201405"	391.13936	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+2Na-H"	44.97116
"637683"	564.22346	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+2Na-H"	44.97116
"1137911"	218.05526	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2Na-H"	44.97116
"183390"	196.073318	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+2Na"	45.978436
"626848"	282.615368	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+2Na"	45.978436
"1127555"	109.531268	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2Na"	45.978436
"1407795"	73.356604	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H+2Na"	46.985712
"1436632"	220.096846	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H+HCOOH"	47.012746
"231068"	201.10634	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+3H2O+2H"	56.04448
"1521324"	234.14889	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+IsoProp+H"	61.06479
"419553"	204.060288	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+Na+K"	61.952376
"782374"	290.602338	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+Na+K"	61.952376
"1675424"	117.518238	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Na+K"	61.952376
"263402"	410.183968	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+ACN+Na"	64.015768
"1235016"	237.099868	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+ACN+Na"	64.015768
"1726091"	237.123393	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+NH4+HCOOH"	64.039293
"1191081"	80.683918	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+3Na"	68.967654
"1664499"	242.078788	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Na+HCOOH"	68.994688
"169298"	423.08724	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+2K-H"	76.91904
"612018"	596.17134	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+2K-H"	76.91904
"1092278"	250.00314	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2K-H"	76.91904
"152373"	212.047258	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"2M+2K"	77.926316
"593026"	298.589308	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"3M+2K"	77.926316
"1080816"	125.505208	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2K"	77.926316
"1112931"	252.017692	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2K+H"	78.933592
"1343848"	252.105307	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+DMSO+H"	79.021207
"1010195"	256.144476	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2ACN+H"	83.060376
"1530512"	257.138108	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+IsoProp+Na+H"	84.054008
"994773"	128.575876	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+2ACN+2H"	84.067652
"1590370"	258.052728	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+K+HCOOH"	84.968628
"1418218"	288.084238	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+H+CF3COOH"	115.000138
"1148138"	149.089151	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+3ACN+2H"	125.094202
"1700241"	305.110785	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+NH4+CF3COOH"	132.026685
"1645740"	310.06618	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+Na+CF3COOH"	136.98208
"1580297"	326.04012	"C18487"	"Pyroquilon"	"C11H11NO"	"173.0841"	"M+K+CF3COOH"	152.95602
"807384"	370.2144	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M"	0
"980918"	351.19601	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-H2O-H"	-19.01839
"66973"	245.802324	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M-3H"	-3.021828
"508718"	369.207124	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M-3H"	-3.021828
"883239"	122.397524	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-3H"	-3.021828
"1814"	369.207124	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M-2H"	-2.014552
"445744"	554.314324	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M-2H"	-2.014552
"820268"	184.099924	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-2H"	-2.014552
"90118"	739.421524	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M-H"	-1.007276
"529678"	1109.635924	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M-H"	-1.007276
"907480"	369.207124	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-H"	-1.007276
"57480"	756.448071	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M-2H+NH4"	16.019271
"488414"	1126.662471	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M-2H+NH4"	16.019271
"865729"	386.233671	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-2H+NH4"	16.019271
"32055"	761.403466	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M-2H+Na"	20.974666
"474653"	1131.617866	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M-2H+Na"	20.974666
"852456"	391.189066	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-2H+Na"	20.974666
"1626365"	391.189066	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Na-2H"	20.974666
"99613"	387.195463	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M-H+Cl"	33.962126
"540266"	572.302663	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M-H+Cl"	33.962126
"933780"	202.088263	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-H+Cl"	33.962126
"275618"	775.398202	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+Cl"	34.969402
"665852"	1145.612602	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+Cl"	34.969402
"1280442"	405.183802	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Cl"	34.969402
"21903"	777.377406	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M-2H+K"	36.948606
"462559"	1147.591806	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M-2H+K"	36.948606
"842548"	407.163006	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-2H+K"	36.948606
"1562755"	407.163006	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+K-2H"	36.948606
"948450"	415.212594	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-H+HCOOH"	44.998194
"367759"	785.427001	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+HCOOH-H"	44.998201
"349455"	799.442651	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+Hac-H"	59.013851
"1494281"	429.228251	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Hac-H"	59.013851
"961092"	437.194551	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-H+NaCOOH"	66.980151
"113645"	405.183802	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+2Cl"	69.938804
"552842"	590.291002	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+2Cl"	69.938804
"1028568"	220.076602	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2Cl"	69.938804
"1243043"	449.133285	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Br"	78.918885
"1314970"	451.189272	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Cl+HCOOH"	80.974872
"1326270"	473.171229	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Cl+NaCOOH"	102.956829
"916966"	483.199986	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M-H+CF3COOH"	112.985586
"1296952"	519.176664	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Cl+CF3COOH"	148.962264
"1369281"	335.201724	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H-2H2O"	-35.012676
"1392609"	353.2117	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H-H2O"	-17.0027
"292296"	741.436076	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+H"	1.007276
"686904"	1111.650476	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+H"	1.007276
"1356692"	371.221676	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H"	1.007276
"133955"	371.221676	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+2H"	2.014552
"574608"	556.328876	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+2H"	2.014552
"1041228"	186.114476	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2H"	2.014552
"206573"	247.816876	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+3H"	3.021828
"645410"	371.221676	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+3H"	3.021828
"1169000"	124.412076	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+3H"	3.021828
"435553"	758.462623	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+NH4"	18.033823
"788169"	1128.677023	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+NH4"	18.033823
"1682430"	388.248223	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+NH4"	18.033823
"331079"	379.7349495	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+H+NH4"	19.041099
"728118"	564.8421495	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+H+NH4"	19.041099
"1477680"	194.6277495	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H+NH4"	19.041099
"394421"	763.418018	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+Na"	22.989218
"755899"	1133.632418	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+Na"	22.989218
"1604364"	393.203618	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Na"	22.989218
"315371"	382.212647	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+H+Na"	23.996494
"709980"	567.319847	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+H+Na"	23.996494
"1469266"	197.105447	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H+Na"	23.996494
"1062513"	131.73939	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2H+Na"	25.00377
"1270389"	403.247886	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+CH3OH+H"	33.033486
"382768"	779.391958	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+K"	38.963158
"744858"	1149.606358	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+K"	38.963158
"1552014"	409.177558	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+K"	38.963158
"310648"	390.199617	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+H+K"	39.970434
"704165"	575.306817	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+H+K"	39.970434
"1457986"	205.092417	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H+K"	39.970434
"250597"	782.462626	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+ACN+H"	42.033826
"1221482"	412.248226	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+ACN+H"	42.033826
"1206458"	206.627751	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+ACN+2H"	43.041102
"199330"	785.39996	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+2Na-H"	44.97116
"639622"	1155.61436	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+2Na-H"	44.97116
"1141304"	415.18556	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2Na-H"	44.97116
"180224"	393.203618	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+2Na"	45.978436
"619053"	578.310818	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+2Na"	45.978436
"1125484"	208.096418	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2Na"	45.978436
"1409735"	139.066704	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H+2Na"	46.985712
"1439297"	417.227146	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H+HCOOH"	47.012746
"231553"	398.23664	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+3H2O+2H"	56.04448
"1517790"	431.27919	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+IsoProp+H"	61.06479
"420394"	401.190588	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+Na+K"	61.952376
"778475"	586.297788	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+Na+K"	61.952376
"1677360"	216.083388	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Na+K"	61.952376
"262419"	804.444568	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+ACN+Na"	64.015768
"1236581"	434.230168	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+ACN+Na"	64.015768
"1725106"	434.253693	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+NH4+HCOOH"	64.039293
"1191555"	146.394018	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+3Na"	68.967654
"1661451"	439.209088	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Na+HCOOH"	68.994688
"163941"	817.34784	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+2K-H"	76.91904
"605688"	1187.56224	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+2K-H"	76.91904
"1089468"	447.13344	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2K-H"	76.91904
"147016"	409.177558	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"2M+2K"	77.926316
"590948"	594.284758	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"3M+2K"	77.926316
"1080927"	224.070358	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2K"	77.926316
"1112677"	449.147992	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2K+H"	78.933592
"1340679"	449.235607	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+DMSO+H"	79.021207
"1010306"	453.274776	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2ACN+H"	83.060376
"1530622"	454.268408	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+IsoProp+Na+H"	84.054008
"997071"	227.141026	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+2ACN+2H"	84.067652
"1590480"	455.183028	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+K+HCOOH"	84.968628
"1420516"	485.214538	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+H+CF3COOH"	115.000138
"1154084"	247.654301	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+3ACN+2H"	125.094202
"1698894"	502.241085	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+NH4+CF3COOH"	132.026685
"1637099"	507.19648	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+Na+CF3COOH"	136.98208
"1580407"	523.17042	"C18488"	"Spiromesifen"	"C23H30O4"	"370.2144"	"M+K+CF3COOH"	152.95602
"807491"	307.1451	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M"	0
"981022"	288.12671	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-H2O-H"	-19.01839
"78017"	203.756124	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M-3H"	-3.021828
"505912"	306.137824	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M-3H"	-3.021828
"885536"	101.374424	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-3H"	-3.021828
"1560"	306.137824	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M-2H"	-2.014552
"441482"	459.710374	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M-2H"	-2.014552
"818921"	152.565274	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-2H"	-2.014552
"90228"	613.282924	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M-H"	-1.007276
"529788"	920.428024	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M-H"	-1.007276
"908683"	306.137824	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-H"	-1.007276
"57590"	630.309471	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M-2H+NH4"	16.019271
"488403"	937.454571	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M-2H+NH4"	16.019271
"866204"	323.164371	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-2H+NH4"	16.019271
"32407"	635.264866	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M-2H+Na"	20.974666
"473790"	942.409966	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M-2H+Na"	20.974666
"852566"	328.119766	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-2H+Na"	20.974666
"1626475"	328.119766	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Na-2H"	20.974666
"101909"	324.126163	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M-H+Cl"	33.962126
"542562"	477.698713	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M-H+Cl"	33.962126
"934983"	170.553613	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-H+Cl"	33.962126
"275728"	649.259602	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+Cl"	34.969402
"667056"	956.404702	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+Cl"	34.969402
"1281645"	342.114502	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Cl"	34.969402
"24199"	651.238806	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M-2H+K"	36.948606
"463758"	958.383906	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M-2H+K"	36.948606
"841563"	344.093706	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-2H+K"	36.948606
"1562864"	344.093706	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+K-2H"	36.948606
"948559"	352.143294	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-H+HCOOH"	44.998194
"366774"	659.288401	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+HCOOH-H"	44.998201
"350658"	673.304051	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+Hac-H"	59.013851
"1495120"	366.158951	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Hac-H"	59.013851
"959134"	374.125251	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-H+NaCOOH"	66.980151
"114848"	342.114502	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+2Cl"	69.938804
"554045"	495.687052	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+2Cl"	69.938804
"1027947"	188.541952	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2Cl"	69.938804
"1243517"	386.063985	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Br"	78.918885
"1312894"	388.119972	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Cl+HCOOH"	80.974872
"1324557"	410.101929	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Cl+NaCOOH"	102.956829
"916345"	420.130686	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M-H+CF3COOH"	112.985586
"1297061"	456.107364	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Cl+CF3COOH"	148.962264
"1370847"	272.132424	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H-2H2O"	-35.012676
"1392718"	290.1424	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H-H2O"	-17.0027
"292404"	615.297476	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+H"	1.007276
"681546"	922.442576	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+H"	1.007276
"1360082"	308.152376	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H"	1.007276
"128597"	308.152376	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+2H"	2.014552
"572531"	461.724926	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+2H"	2.014552
"1041338"	154.579826	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2H"	2.014552
"205589"	205.770676	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+3H"	3.021828
"646245"	308.152376	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+3H"	3.021828
"1164370"	103.388976	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+3H"	3.021828
"428009"	632.324023	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+NH4"	18.033823
"792284"	939.469123	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+NH4"	18.033823
"1681932"	325.178923	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+NH4"	18.033823
"330133"	316.6656495	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+H+NH4"	19.041099
"723121"	470.2381995	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+H+NH4"	19.041099
"1477300"	163.0930995	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H+NH4"	19.041099
"393314"	637.279418	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+Na"	22.989218
"755523"	944.424518	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+Na"	22.989218
"1603622"	330.134318	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Na"	22.989218
"314873"	319.143347	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+H+Na"	23.996494
"710452"	472.715897	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+H+Na"	23.996494
"1463543"	165.570797	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H+Na"	23.996494
"1058248"	110.71629	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2H+Na"	25.00377
"1267583"	340.178586	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+CH3OH+H"	33.033486
"381054"	653.253358	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+K"	38.963158
"743145"	960.398458	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+K"	38.963158
"1549207"	346.108258	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+K"	38.963158
"309665"	327.130317	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+H+K"	39.970434
"701361"	480.702867	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+H+K"	39.970434
"1458824"	173.557767	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H+K"	39.970434
"248885"	656.324026	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+ACN+H"	42.033826
"1220497"	349.178926	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+ACN+H"	42.033826
"1204382"	175.093101	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+ACN+2H"	43.041102
"196158"	659.26136	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+2Na-H"	44.97116
"633170"	966.40646	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+2Na-H"	44.97116
"1135582"	352.11626	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2Na-H"	44.97116
"174864"	330.134318	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+2Na"	45.978436
"616612"	483.706868	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+2Na"	45.978436
"1127778"	176.561768	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2Na"	45.978436
"1409843"	118.043604	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H+2Na"	46.985712
"1436855"	354.157846	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H+HCOOH"	47.012746
"232026"	335.16734	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+3H2O+2H"	56.04448
"1516807"	368.20989	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+IsoProp+H"	61.06479
"420141"	338.121288	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+Na+K"	61.952376
"778584"	491.693838	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+Na+K"	61.952376
"1673460"	184.548738	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Na+K"	61.952376
"261072"	678.305968	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+ACN+Na"	64.015768
"1236326"	371.160868	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+ACN+Na"	64.015768
"1723028"	371.184393	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+NH4+HCOOH"	64.039293
"1189478"	125.370918	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+3Na"	68.967654
"1660465"	376.139788	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Na+HCOOH"	68.994688
"164051"	691.20924	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+2K-H"	76.91904
"606891"	998.35434	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+2K-H"	76.91904
"1089217"	384.06414	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2K-H"	76.91904
"144209"	346.108258	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"2M+2K"	77.926316
"583400"	499.680808	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"3M+2K"	77.926316
"1078851"	192.535708	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2K"	77.926316
"1106589"	386.078692	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2K+H"	78.933592
"1338967"	386.166307	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+DMSO+H"	79.021207
"1008230"	390.205476	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2ACN+H"	83.060376
"1529639"	391.199108	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+IsoProp+Na+H"	84.054008
"998275"	195.606376	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+2ACN+2H"	84.067652
"1591684"	392.113728	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+K+HCOOH"	84.968628
"1420626"	422.145238	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+H+CF3COOH"	115.000138
"1152007"	216.119651	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+3ACN+2H"	125.094202
"1700462"	439.171785	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+NH4+CF3COOH"	132.026685
"1636116"	444.12718	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+Na+CF3COOH"	136.98208
"1580517"	460.10112	"C18489"	"Tebuconazole"	"C16H22ClN3O"	"307.1451"	"M+K+CF3COOH"	152.95602
"807601"	371.0215	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M"	0
"981132"	352.00311	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-H2O-H"	-19.01839
"77033"	246.340390666667	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M-3H"	-3.021828
"506751"	370.014224	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M-3H"	-3.021828
"882366"	122.666557333333	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-3H"	-3.021828
"211"	370.014224	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M-2H"	-2.014552
"442321"	555.524974	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M-2H"	-2.014552
"817936"	184.503474	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-2H"	-2.014552
"90338"	741.035724	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M-H"	-1.007276
"529898"	1112.057224	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M-H"	-1.007276
"907700"	370.014224	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-H"	-1.007276
"57700"	758.062271	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M-2H+NH4"	16.019271
"488755"	1129.083771	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M-2H+NH4"	16.019271
"866314"	387.040771	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-2H+NH4"	16.019271
"34220"	763.017666	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M-2H+Na"	20.974666
"473049"	1134.039166	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M-2H+Na"	20.974666
"854863"	391.996166	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-2H+Na"	20.974666
"1628772"	391.996166	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Na-2H"	20.974666
"99833"	388.002563	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M-H+Cl"	33.962126
"542673"	573.513313	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M-H+Cl"	33.962126
"935093"	202.491813	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-H+Cl"	33.962126
"275838"	777.012402	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+Cl"	34.969402
"663886"	1148.033902	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+Cl"	34.969402
"1281754"	405.990902	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Cl"	34.969402
"21029"	778.991606	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M-2H+K"	36.948606
"460588"	1150.013106	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M-2H+K"	36.948606
"838393"	407.970106	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-2H+K"	36.948606
"1558600"	407.970106	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+K-2H"	36.948606
"946482"	416.019694	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-H+HCOOH"	44.998194
"365791"	787.041201	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+HCOOH-H"	44.998201
"351863"	801.056851	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+Hac-H"	59.013851
"1495230"	430.035351	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Hac-H"	59.013851
"959245"	438.001651	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-H+NaCOOH"	66.980151
"112406"	405.990902	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+2Cl"	69.938804
"553789"	591.501652	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+2Cl"	69.938804
"1028058"	220.480152	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2Cl"	69.938804
"1245449"	449.940385	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Br"	78.918885
"1311910"	451.996372	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Cl+HCOOH"	80.974872
"1324667"	473.978329	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Cl+NaCOOH"	102.956829
"916090"	484.007086	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M-H+CF3COOH"	112.985586
"1296079"	519.983764	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Cl+CF3COOH"	148.962264
"1373146"	336.008824	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H-2H2O"	-35.012676
"1390642"	354.0188	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H-H2O"	-17.0027
"291421"	743.050276	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+H"	1.007276
"684936"	1114.071776	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+H"	1.007276
"1360192"	372.028776	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H"	1.007276
"129801"	372.028776	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+2H"	2.014552
"571547"	557.539526	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+2H"	2.014552
"1044728"	186.518026	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2H"	2.014552
"207526"	248.354942666667	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+3H"	3.021828
"645993"	372.028776	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+3H"	3.021828
"1172501"	124.681109333333	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+3H"	3.021828
"430306"	760.076823	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+NH4"	18.033823
"793488"	1131.098323	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+NH4"	18.033823
"1685451"	389.055323	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+NH4"	18.033823
"330571"	380.5420495	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+H+NH4"	19.041099
"727245"	566.0527995	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+H+NH4"	19.041099
"1477216"	195.0312995	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H+NH4"	19.041099
"393054"	765.032218	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+Na"	22.989218
"754416"	1136.053718	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+Na"	22.989218
"1602848"	394.010718	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Na"	22.989218
"315954"	383.019747	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+H+Na"	23.996494
"707098"	568.530497	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+H+Na"	23.996494
"1465112"	197.508997	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H+Na"	23.996494
"1058358"	132.008423333333	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2H+Na"	25.00377
"1261133"	404.054986	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+CH3OH+H"	33.033486
"379099"	781.006158	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+K"	38.963158
"742891"	1152.027658	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+K"	38.963158
"1548224"	409.984658	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+K"	38.963158
"309775"	391.006717	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+H+K"	39.970434
"704384"	576.517467	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+H+K"	39.970434
"1457841"	205.495967	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H+K"	39.970434
"248264"	784.076826	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+ACN+H"	42.033826
"1222065"	413.055326	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+ACN+H"	42.033826
"1202306"	207.031301	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+ACN+2H"	43.041102
"197361"	787.01416	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+2Na-H"	44.97116
"634009"	1158.03566	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+2Na-H"	44.97116
"1136421"	415.99266	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2Na-H"	44.97116
"176188"	394.010718	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+2Na"	45.978436
"616721"	579.521468	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+2Na"	45.978436
"1124607"	208.499968	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2Na"	45.978436
"1409589"	139.335737333333	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H+2Na"	46.985712
"1436965"	418.034246	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H+HCOOH"	47.012746
"229948"	399.04374	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+3H2O+2H"	56.04448
"1514730"	432.08629	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+IsoProp+H"	61.06479
"419520"	401.997688	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+Na+K"	61.952376
"778693"	587.508438	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+Na+K"	61.952376
"1676119"	216.486938	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Na+K"	61.952376
"263371"	806.058768	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+ACN+Na"	64.015768
"1233158"	435.037268	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+ACN+Na"	64.015768
"1720952"	435.060793	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+NH4+HCOOH"	64.039293
"1186307"	146.663051333333	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+3Na"	68.967654
"1658387"	440.016188	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Na+HCOOH"	68.994688
"165255"	818.96204	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+2K-H"	76.91904
"607001"	1189.98354	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+2K-H"	76.91904
"1095888"	447.94054	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2K-H"	76.91904
"151610"	409.984658	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"2M+2K"	77.926316
"587885"	595.495408	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"3M+2K"	77.926316
"1077867"	224.473908	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2K"	77.926316
"1104512"	449.955092	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2K+H"	78.933592
"1337983"	450.042707	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+DMSO+H"	79.021207
"1008340"	454.081876	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2ACN+H"	83.060376
"1530842"	455.075508	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+IsoProp+Na+H"	84.054008
"998385"	227.544576	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+2ACN+2H"	84.067652
"1593980"	455.990128	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+K+HCOOH"	84.968628
"1420736"	486.021638	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+H+CF3COOH"	115.000138
"1151024"	248.057851	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+3ACN+2H"	125.094202
"1698750"	503.048185	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+NH4+CF3COOH"	132.026685
"1637319"	508.00358	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+Na+CF3COOH"	136.98208
"1580627"	523.97752	"C18490"	"Tetraconazole"	"C13H11Cl2F4N3O"	"371.0215"	"M+K+CF3COOH"	152.95602
"810991"	383.1401	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M"	0
"982336"	364.12171	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-H2O-H"	-19.01839
"77144"	254.419457333333	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M-3H"	-3.021828
"506861"	382.132824	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M-3H"	-3.021828
"889037"	126.706090666667	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-3H"	-3.021828
"2145"	382.132824	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M-2H"	-2.014552
"441704"	573.702874	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M-2H"	-2.014552
"819135"	190.562774	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-2H"	-2.014552
"83887"	765.272924	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M-H"	-1.007276
"525634"	1148.413024	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M-H"	-1.007276
"907446"	382.132824	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-H"	-1.007276
"56717"	782.299471	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M-2H+NH4"	16.019271
"488623"	1165.439571	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M-2H+NH4"	16.019271
"866424"	399.159371	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-2H+NH4"	16.019271
"31763"	787.254866	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M-2H+Na"	20.974666
"472308"	1170.394966	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M-2H+Na"	20.974666
"852786"	404.114766	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-2H+Na"	20.974666
"1623415"	404.114766	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Na-2H"	20.974666
"99943"	400.121163	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M-H+Cl"	33.962126
"540596"	591.691213	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M-H+Cl"	33.962126
"934109"	208.551113	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-H+Cl"	33.962126
"274855"	801.249602	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+Cl"	34.969402
"663996"	1184.389702	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+Cl"	34.969402
"1280771"	418.109502	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Cl"	34.969402
"20046"	803.228806	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M-2H+K"	36.948606
"460698"	1186.368906	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M-2H+K"	36.948606
"836316"	420.088706	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-2H+K"	36.948606
"1558710"	420.088706	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+K-2H"	36.948606
"947686"	428.138294	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-H+HCOOH"	44.998194
"365901"	811.278401	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+HCOOH-H"	44.998201
"350880"	825.294051	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+Hac-H"	59.013851
"1495340"	442.153951	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Hac-H"	59.013851
"960326"	450.120251	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-H+NaCOOH"	66.980151
"111787"	418.109502	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+2Cl"	69.938804
"553535"	609.679552	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+2Cl"	69.938804
"1028897"	226.539452	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2Cl"	69.938804
"1247018"	462.058985	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Br"	78.918885
"1313115"	464.114972	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Cl+HCOOH"	80.974872
"1325507"	486.096929	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Cl+NaCOOH"	102.956829
"915471"	496.125686	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M-H+CF3COOH"	112.985586
"1297283"	532.102364	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Cl+CF3COOH"	148.962264
"1378724"	348.127424	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H-2H2O"	-35.012676
"1391847"	366.1374	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H-H2O"	-17.0027
"293718"	767.287476	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+H"	1.007276
"685775"	1150.427576	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+H"	1.007276
"1361396"	384.147376	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H"	1.007276
"131004"	384.147376	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+2H"	2.014552
"571657"	575.717426	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+2H"	2.014552
"1044840"	192.577326	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2H"	2.014552
"211646"	256.434009333333	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+3H"	3.021828
"646103"	384.147376	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+3H"	3.021828
"1173705"	128.720642666667	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+3H"	3.021828
"428229"	784.314023	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+NH4"	18.033823
"792505"	1167.454123	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+NH4"	18.033823
"1681459"	401.173923	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+NH4"	18.033823
"330106"	392.6606495	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+H+NH4"	19.041099
"722924"	584.2306995	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+H+NH4"	19.041099
"1477026"	201.0905995	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H+NH4"	19.041099
"392963"	789.269418	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+Na"	22.989218
"754479"	1172.409518	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+Na"	22.989218
"1602778"	406.129318	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Na"	22.989218
"314604"	395.138347	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+H+Na"	23.996494
"707414"	586.708397	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+H+Na"	23.996494
"1461654"	203.568297	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H+Na"	23.996494
"1052908"	136.047956666667	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2H+Na"	25.00377
"1260149"	416.173586	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+CH3OH+H"	33.033486
"377346"	805.243358	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+K"	38.963158
"739719"	1188.383458	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+K"	38.963158
"1542867"	422.103258	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+K"	38.963158
"305512"	403.125317	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+H+K"	39.970434
"703402"	594.695367	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+H+K"	39.970434
"1456494"	211.555267	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H+K"	39.970434
"246917"	808.314026	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+ACN+H"	42.033826
"1219624"	425.173926	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+ACN+H"	42.033826
"1204601"	213.090601	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+ACN+2H"	43.041102
"199657"	811.25136	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+2Na-H"	44.97116
"634844"	1194.39146	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+2Na-H"	44.97116
"1134343"	428.11126	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2Na-H"	44.97116
"174718"	406.129318	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+2Na"	45.978436
"615009"	597.699368	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+2Na"	45.978436
"1125810"	214.559268	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2Na"	45.978436
"1410063"	143.375270666667	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H+2Na"	46.985712
"1437075"	430.152846	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H+HCOOH"	47.012746
"229693"	411.16234	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+3H2O+2H"	56.04448
"1518120"	444.20489	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+IsoProp+H"	61.06479
"416716"	414.116288	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+Na+K"	61.952376
"779899"	605.686338	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+Na+K"	61.952376
"1677323"	222.546238	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Na+K"	61.952376
"262750"	830.295968	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+ACN+Na"	64.015768
"1232175"	447.155868	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+ACN+Na"	64.015768
"1721062"	447.179393	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+NH4+HCOOH"	64.039293
"1185324"	150.702584666667	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+3Na"	68.967654
"1658497"	452.134788	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Na+HCOOH"	68.994688
"165365"	843.19924	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+2K-H"	76.91904
"609297"	1226.33934	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+2K-H"	76.91904
"1097089"	460.05914	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2K-H"	76.91904
"147345"	422.103258	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"2M+2K"	77.926316
"585808"	613.673308	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"3M+2K"	77.926316
"1080163"	230.533208	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2K"	77.926316
"1104623"	462.073692	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2K+H"	78.933592
"1338094"	462.161307	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+DMSO+H"	79.021207
"1008450"	466.200476	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2ACN+H"	83.060376
"1530952"	467.194108	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+IsoProp+Na+H"	84.054008
"994121"	233.603876	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+2ACN+2H"	84.067652
"1592998"	468.108728	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+K+HCOOH"	84.968628
"1420846"	498.140238	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+H+CF3COOH"	115.000138
"1148946"	254.117151	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+3ACN+2H"	125.094202
"1697888"	515.166785	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+NH4+CF3COOH"	132.026685
"1637430"	520.12218	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+Na+CF3COOH"	136.98208
"1580737"	536.09612	"C18491"	"Tolfenpyrad"	"C21H22ClN3O2"	"383.1401"	"M+K+CF3COOH"	152.95602
"811101"	189.0361	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M"	0
"981353"	170.01771	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-H2O-H"	-19.01839
"77254"	125.016790666667	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M-3H"	-3.021828
"505149"	188.028824	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M-3H"	-3.021828
"889147"	62.0047573333333	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-3H"	-3.021828
"794"	188.028824	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M-2H"	-2.014552
"441813"	282.546874	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M-2H"	-2.014552
"818517"	93.510774	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-2H"	-2.014552
"86184"	377.064924	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M-H"	-1.007276
"529025"	566.101024	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M-H"	-1.007276
"906828"	188.028824	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-H"	-1.007276
"56827"	394.091471	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M-2H+NH4"	16.019271
"497117"	583.127571	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M-2H+NH4"	16.019271
"869814"	205.055371	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-2H+NH4"	16.019271
"36628"	399.046866	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M-2H+Na"	20.974666
"476190"	588.082966	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M-2H+Na"	20.974666
"849005"	210.010766	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-2H+Na"	20.974666
"1623525"	210.010766	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Na-2H"	20.974666
"101147"	206.017163	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M-H+Cl"	33.962126
"537429"	300.535213	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M-H+Cl"	33.962126
"933130"	111.499113	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-H+Cl"	33.962126
"271687"	413.041602	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+Cl"	34.969402
"662649"	602.077702	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+Cl"	34.969402
"1277605"	224.005502	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Cl"	34.969402
"23439"	415.020806	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M-2H+K"	36.948606
"460813"	604.056906	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M-2H+K"	36.948606
"834240"	225.984706	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-2H+K"	36.948606
"1561007"	225.984706	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+K-2H"	36.948606
"948891"	234.034294	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-H+HCOOH"	44.998194
"369297"	423.070401	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+HCOOH-H"	44.998201
"350992"	437.086051	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+Hac-H"	59.013851
"1496545"	248.049951	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Hac-H"	59.013851
"962263"	256.016251	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-H+NaCOOH"	66.980151
"113355"	224.005502	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+2Cl"	69.938804
"555833"	318.523552	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+2Cl"	69.938804
"1026819"	129.487452	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2Cl"	69.938804
"1243848"	267.954985	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Br"	78.918885
"1309942"	270.010972	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Cl+HCOOH"	80.974872
"1324158"	291.992929	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Cl+NaCOOH"	102.956829
"912299"	302.021686	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M-H+CF3COOH"	112.985586
"1300673"	337.998364	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Cl+CF3COOH"	148.962264
"1373367"	154.023424	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H-2H2O"	-35.012676
"1388677"	172.0334	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H-H2O"	-17.0027
"292735"	379.079476	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+H"	1.007276
"685157"	568.115576	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+H"	1.007276
"1356039"	190.043376	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H"	1.007276
"128199"	190.043376	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+2H"	2.014552
"568487"	284.561426	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+2H"	2.014552
"1046043"	95.525326	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2H"	2.014552
"211757"	127.031342666667	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+3H"	3.021828
"646943"	190.043376	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+3H"	3.021828
"1169441"	64.0193093333333	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+3H"	3.021828
"429432"	396.106023	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+NH4"	18.033823
"793708"	585.142123	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+NH4"	18.033823
"1681695"	207.069923	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+NH4"	18.033823
"330791"	198.5566495	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+H+NH4"	19.041099
"722821"	293.0746995	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+H+NH4"	19.041099
"1477208"	104.0385995	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H+NH4"	19.041099
"393148"	401.061418	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+Na"	22.989218
"754346"	590.097518	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+Na"	22.989218
"1603129"	212.025318	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Na"	22.989218
"314506"	201.034347	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+H+Na"	23.996494
"707608"	295.552397	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+H+Na"	23.996494
"1461793"	106.516297	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H+Na"	23.996494
"1053462"	71.3466233333333	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2H+Na"	25.00377
"1258799"	222.069586	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+CH3OH+H"	33.033486
"378471"	417.035358	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+K"	38.963158
"740926"	606.071458	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+K"	38.963158
"1542979"	227.999258	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+K"	38.963158
"301249"	209.021317	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+H+K"	39.970434
"701690"	303.539367	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+H+K"	39.970434
"1455143"	114.503267	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H+K"	39.970434
"245932"	420.106026	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+ACN+H"	42.033826
"1218640"	231.069926	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+ACN+H"	42.033826
"1202524"	116.038601	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+ACN+2H"	43.041102
"192113"	423.04336	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+2Na-H"	44.97116
"634957"	612.07946	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+2Na-H"	44.97116
"1134818"	234.00726	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2Na-H"	44.97116
"173733"	212.025318	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+2Na"	45.978436
"618030"	306.543368	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+2Na"	45.978436
"1125920"	117.507268	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2Na"	45.978436
"1408350"	78.6739373333333	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H+2Na"	46.985712
"1433904"	236.048846	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H+HCOOH"	47.012746
"229803"	217.05834	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+3H2O+2H"	56.04448
"1513856"	250.10089	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+IsoProp+H"	61.06479
"418647"	220.012288	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+Na+K"	61.952376
"780008"	314.530338	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+Na+K"	61.952376
"1674152"	125.494238	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Na+K"	61.952376
"262859"	442.087968	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+ACN+Na"	64.015768
"1231192"	253.051868	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+ACN+Na"	64.015768
"1721172"	253.075393	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+NH4+HCOOH"	64.039293
"1187620"	86.0012513333333	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+3Na"	68.967654
"1657514"	258.030788	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Na+HCOOH"	68.994688
"166565"	454.99124	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+2K-H"	76.91904
"605034"	644.02734	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+2K-H"	76.91904
"1096108"	265.95514	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2K-H"	76.91904
"150737"	227.999258	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"2M+2K"	77.926316
"585918"	322.517308	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"3M+2K"	77.926316
"1075900"	133.481208	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2K"	77.926316
"1102545"	267.969692	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2K+H"	78.933592
"1337473"	268.057307	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+DMSO+H"	79.021207
"1007831"	272.096476	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2ACN+H"	83.060376
"1529970"	273.090108	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+IsoProp+Na+H"	84.054008
"994232"	136.551876	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+2ACN+2H"	84.067652
"1594201"	274.004728	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+K+HCOOH"	84.968628
"1420956"	304.036238	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+H+CF3COOH"	115.000138
"1150150"	157.065151	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+3ACN+2H"	125.094202
"1698970"	321.062785	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+NH4+CF3COOH"	132.026685
"1637540"	326.01818	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+Na+CF3COOH"	136.98208
"1580847"	341.99212	"C18492"	"Tricyclazole"	"C9H7N3S"	"189.0361"	"M+K+CF3COOH"	152.95602
"811211"	345.0856	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M"	0
"984743"	326.06721	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-H2O-H"	-19.01839
"78366"	229.049790666667	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M-3H"	-3.021828
"508175"	344.078324	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M-3H"	-3.021828
"887069"	114.021257333333	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-3H"	-3.021828
"4553"	344.078324	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M-2H"	-2.014552
"443018"	516.621124	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M-2H"	-2.014552
"823005"	171.535524	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-2H"	-2.014552
"85190"	689.163924	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M-H"	-1.007276
"523668"	1034.249524	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M-H"	-1.007276
"906573"	344.078324	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-H"	-1.007276
"52564"	706.190471	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M-2H+NH4"	16.019271
"492125"	1051.276071	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M-2H+NH4"	16.019271
"869924"	361.104871	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-2H+NH4"	16.019271
"36738"	711.145866	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M-2H+Na"	20.974666
"476300"	1056.231466	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M-2H+Na"	20.974666
"850092"	366.060266	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-2H+Na"	20.974666
"1624729"	366.060266	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Na-2H"	20.974666
"103444"	362.066663	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M-H+Cl"	33.962126
"540819"	534.609463	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M-H+Cl"	33.962126
"930688"	189.523863	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-H+Cl"	33.962126
"269245"	725.140602	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+Cl"	34.969402
"666406"	1070.226202	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+Cl"	34.969402
"1277714"	380.055002	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Cl"	34.969402
"21364"	727.119806	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M-2H+K"	36.948606
"459100"	1072.205406	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M-2H+K"	36.948606
"836172"	382.034206	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-2H+K"	36.948606
"1561117"	382.034206	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+K-2H"	36.948606
"949001"	390.083794	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-H+HCOOH"	44.998194
"366126"	735.169401	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+HCOOH-H"	44.998201
"349643"	749.185051	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+Hac-H"	59.013851
"1495194"	404.099451	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Hac-H"	59.013851
"964195"	412.065751	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-H+NaCOOH"	66.980151
"113465"	380.055002	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+2Cl"	69.938804
"551566"	552.597802	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+2Cl"	69.938804
"1023284"	207.512202	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2Cl"	69.938804
"1245416"	424.004485	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Br"	78.918885
"1310052"	426.060472	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Cl+HCOOH"	80.974872
"1323539"	448.042429	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Cl+NaCOOH"	102.956829
"917513"	458.071186	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M-H+CF3COOH"	112.985586
"1299688"	494.047864	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Cl+CF3COOH"	148.962264
"1378944"	310.072924	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H-2H2O"	-35.012676
"1388787"	328.0829	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H-H2O"	-17.0027
"289565"	691.178476	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+H"	1.007276
"681986"	1036.264076	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+H"	1.007276
"1352502"	346.092876	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H"	1.007276
"127214"	346.092876	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+2H"	2.014552
"566773"	518.635676	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+2H"	2.014552
"1048340"	173.550076	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2H"	2.014552
"211866"	231.064342666667	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+3H"	3.021828
"655802"	346.092876	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+3H"	3.021828
"1171740"	116.035809333333	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+3H"	3.021828
"433916"	708.205023	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+NH4"	18.033823
"796006"	1053.290623	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+NH4"	18.033823
"1682861"	363.119423	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+NH4"	18.033823
"331265"	354.6061495	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+H+NH4"	19.041099
"723316"	527.1489495	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+H+NH4"	19.041099
"1478226"	182.0633495	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H+NH4"	19.041099
"393504"	713.160418	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+Na"	22.989218
"755959"	1058.246018	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+Na"	22.989218
"1604789"	368.074818	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Na"	22.989218
"315312"	357.083847	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+H+Na"	23.996494
"708095"	529.626647	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+H+Na"	23.996494
"1462038"	184.541047	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H+Na"	23.996494
"1053464"	123.363123333333	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2H+Na"	25.00377
"1260005"	378.119086	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+CH3OH+H"	33.033486
"378582"	729.134358	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+K"	38.963158
"746503"	1074.219958	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+K"	38.963158
"1545276"	384.048758	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+K"	38.963158
"304639"	365.070817	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+H+K"	39.970434
"702527"	537.613617	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+H+K"	39.970434
"1456347"	192.528017	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H+K"	39.970434
"248229"	732.205026	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+ACN+H"	42.033826
"1220938"	387.119426	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+ACN+H"	42.033826
"1203728"	194.063351	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+ACN+2H"	43.041102
"195503"	735.14236	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+2Na-H"	44.97116
"638347"	1080.22796	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+2Na-H"	44.97116
"1138574"	390.05676	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2Na-H"	44.97116
"176026"	368.074818	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+2Na"	45.978436
"619233"	540.617618	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+2Na"	45.978436
"1116794"	195.532018	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2Na"	45.978436
"1408460"	130.690437333333	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H+2Na"	46.985712
"1432920"	392.098346	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H+HCOOH"	47.012746
"233194"	373.10784	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+3H2O+2H"	56.04448
"1515060"	406.15039	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+IsoProp+H"	61.06479
"420215"	376.061788	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+Na+K"	61.952376
"781940"	548.604588	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+Na+K"	61.952376
"1676448"	203.518988	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Na+K"	61.952376
"262966"	754.186968	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+ACN+Na"	64.015768
"1232395"	409.101368	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+ACN+Na"	64.015768
"1723469"	409.124893	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+NH4+HCOOH"	64.039293
"1187730"	138.017751333333	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+3Na"	68.967654
"1658714"	414.080288	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Na+HCOOH"	68.994688
"171172"	767.09024	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+2K-H"	76.91904
"609515"	1112.17584	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+2K-H"	76.91904
"1098889"	422.00464	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2K-H"	76.91904
"156435"	384.048758	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"2M+2K"	77.926316
"588216"	556.591558	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"3M+2K"	77.926316
"1076009"	211.505958	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2K"	77.926316
"1104841"	424.019192	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2K+H"	78.933592
"1339044"	424.106807	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+DMSO+H"	79.021207
"1009027"	428.145976	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2ACN+H"	83.060376
"1527892"	429.139608	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+IsoProp+Na+H"	84.054008
"997622"	214.576626	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+2ACN+2H"	84.067652
"1592124"	430.054228	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+K+HCOOH"	84.968628
"1421066"	460.085738	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+H+CF3COOH"	115.000138
"1151353"	235.089901	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+3ACN+2H"	125.094202
"1700902"	477.112285	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+NH4+CF3COOH"	132.026685
"1637650"	482.06768	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+Na+CF3COOH"	136.98208
"1580957"	498.04162	"C18493"	"Triflumizole"	"C15H15ClF3N3O"	"345.0856"	"M+K+CF3COOH"	152.95602
"811321"	291.1138	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M"	0
"984853"	272.09541	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-H2O-H"	-19.01839
"77109"	193.068590666667	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M-3H"	-3.021828
"508285"	290.106524	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M-3H"	-3.021828
"886086"	96.0306573333333	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-3H"	-3.021828
"773"	290.106524	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M-2H"	-2.014552
"441182"	435.663424	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M-2H"	-2.014552
"820928"	144.549624	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-2H"	-2.014552
"85300"	581.220324	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M-H"	-1.007276
"520121"	872.334124	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M-H"	-1.007276
"904861"	290.106524	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-H"	-1.007276
"53768"	598.246871	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M-2H+NH4"	16.019271
"492235"	889.360671	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M-2H+NH4"	16.019271
"868941"	307.133071	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-2H+NH4"	16.019271
"36848"	603.202266	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M-2H+Na"	20.974666
"475316"	894.316066	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M-2H+Na"	20.974666
"855304"	312.088466	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-2H+Na"	20.974666
"1623745"	312.088466	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Na-2H"	20.974666
"102461"	308.094863	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M-H+Cl"	33.962126
"539835"	453.651763	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M-H+Cl"	33.962126
"933351"	162.537963	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-H+Cl"	33.962126
"269719"	617.197002	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+Cl"	34.969402
"666515"	908.310802	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+Cl"	34.969402
"1276731"	326.083202	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Cl"	34.969402
"20381"	619.176206	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M-2H+K"	36.948606
"458117"	910.290006	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M-2H+K"	36.948606
"837740"	328.062406	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-2H+K"	36.948606
"1560135"	328.062406	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+K-2H"	36.948606
"949112"	336.111994	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-H+HCOOH"	44.998194
"366236"	627.225801	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+HCOOH-H"	44.998201
"350848"	641.241451	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+Hac-H"	59.013851
"1498223"	350.127651	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Hac-H"	59.013851
"965764"	358.093951	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-H+NaCOOH"	66.980151
"115765"	326.083202	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+2Cl"	69.938804
"551677"	471.640102	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+2Cl"	69.938804
"1021934"	180.526302	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2Cl"	69.938804
"1245526"	370.032685	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Br"	78.918885
"1310162"	372.088672	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Cl+HCOOH"	80.974872
"1326565"	394.070629	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Cl+NaCOOH"	102.956829
"917624"	404.099386	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M-H+CF3COOH"	112.985586
"1297612"	440.076064	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Cl+CF3COOH"	148.962264
"1375776"	256.101124	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H-2H2O"	-35.012676
"1389992"	274.1111	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H-H2O"	-17.0027
"289675"	583.234876	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+H"	1.007276
"682096"	874.348676	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+H"	1.007276
"1355167"	292.121076	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H"	1.007276
"129149"	292.121076	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+2H"	2.014552
"570895"	437.677976	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+2H"	2.014552
"1048450"	146.564176	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2H"	2.014552
"209790"	195.083142666667	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+3H"	3.021828
"650442"	292.121076	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+3H"	3.021828
"1170757"	98.0452093333333	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+3H"	3.021828
"432934"	600.261423	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+NH4"	18.033823
"796116"	891.375223	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+NH4"	18.033823
"1690260"	309.147623	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+NH4"	18.033823
"336352"	300.6343495	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+H+NH4"	19.041099
"725859"	446.1912495	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+H+NH4"	19.041099
"1477488"	155.0774495	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H+NH4"	19.041099
"395806"	605.216818	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+Na"	22.989218
"755707"	896.330618	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+Na"	22.989218
"1603116"	314.103018	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Na"	22.989218
"316759"	303.112047	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+H+Na"	23.996494
"708088"	448.668947	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+H+Na"	23.996494
"1464462"	157.555147	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H+Na"	23.996494
"1054793"	105.372523333333	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2H+Na"	25.00377
"1264854"	324.147286	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+CH3OH+H"	33.033486
"380879"	621.190758	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+K"	38.963158
"748800"	912.304558	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+K"	38.963158
"1546480"	330.076958	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+K"	38.963158
"304750"	311.099017	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+H+K"	39.970434
"702638"	456.655917	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+H+K"	39.970434
"1454270"	165.542117	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H+K"	39.970434
"246152"	624.261426	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+ACN+H"	42.033826
"1221048"	333.147626	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+ACN+H"	42.033826
"1202744"	167.077451	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+ACN+2H"	43.041102
"194520"	627.19876	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+2Na-H"	44.97116
"638457"	918.31256	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+2Na-H"	44.97116
"1139777"	336.08496	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2Na-H"	44.97116
"175773"	314.103018	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+2Na"	45.978436
"617519"	459.659918	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+2Na"	45.978436
"1117025"	168.546118	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2Na"	45.978436
"1408570"	112.699837333333	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H+2Na"	46.985712
"1433029"	338.126546	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H+HCOOH"	47.012746
"231478"	319.13604	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+3H2O+2H"	56.04448
"1516263"	352.17859	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+IsoProp+H"	61.06479
"421416"	322.089988	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+Na+K"	61.952376
"780227"	467.646888	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+Na+K"	61.952376
"1675464"	176.533088	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Na+K"	61.952376
"259797"	646.243368	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+ACN+Na"	64.015768
"1234690"	355.129568	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+ACN+Na"	64.015768
"1722486"	355.153093	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+NH4+HCOOH"	64.039293
"1185652"	120.027151333333	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+3Na"	68.967654
"1657731"	360.108488	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Na+HCOOH"	68.994688
"171037"	659.14664	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+2K-H"	76.91904
"608533"	950.26044	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+2K-H"	76.91904
"1097418"	368.03284	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2K-H"	76.91904
"153141"	330.076958	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"2M+2K"	77.926316
"585044"	475.633858	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"3M+2K"	77.926316
"1073931"	184.520058	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2K"	77.926316
"1103858"	370.047392	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2K+H"	78.933592
"1339154"	370.135007	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+DMSO+H"	79.021207
"1008777"	374.174176	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2ACN+H"	83.060376
"1528357"	375.167808	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+IsoProp+Na+H"	84.054008
"997729"	187.590726	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+2ACN+2H"	84.067652
"1592233"	376.082428	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+K+HCOOH"	84.968628
"1421176"	406.113938	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+H+CF3COOH"	115.000138
"1151463"	208.104001	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+3ACN+2H"	125.094202
"1701012"	423.140485	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+NH4+CF3COOH"	132.026685
"1635573"	428.09588	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+Na+CF3COOH"	136.98208
"1581067"	444.06982	"C18494"	"Uniconazole P"	"C15H18ClN3O"	"291.1138"	"M+K+CF3COOH"	152.95602
"815807"	359.1697	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M"	0
"986059"	340.15131	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-H2O-H"	-19.01839
"77220"	238.439190666667	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M-3H"	-3.021828
"505478"	358.162424	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M-3H"	-3.021828
"886196"	118.715957333333	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-3H"	-3.021828
"6956"	358.162424	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M-2H"	-2.014552
"441414"	537.747274	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M-2H"	-2.014552
"819581"	178.577574	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-2H"	-2.014552
"85410"	717.332124	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M-H"	-1.007276
"520352"	1076.501824	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M-H"	-1.007276
"903878"	358.162424	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-H"	-1.007276
"57159"	734.358671	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M-2H+NH4"	16.019271
"495625"	1093.528371	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M-2H+NH4"	16.019271
"870145"	375.188971	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-2H+NH4"	16.019271
"36958"	739.314066	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M-2H+Na"	20.974666
"475426"	1098.483766	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M-2H+Na"	20.974666
"853228"	380.144366	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-2H+Na"	20.974666
"1624949"	380.144366	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Na-2H"	20.974666
"102572"	376.150763	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M-H+Cl"	33.962126
"543225"	555.735613	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M-H+Cl"	33.962126
"934554"	196.565913	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-H+Cl"	33.962126
"270924"	753.308802	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+Cl"	34.969402
"665531"	1112.478502	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+Cl"	34.969402
"1276841"	394.139102	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Cl"	34.969402
"23770"	755.288006	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M-2H+K"	36.948606
"459320"	1114.457706	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M-2H+K"	36.948606
"835299"	396.118306	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-2H+K"	36.948606
"1558422"	396.118306	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+K-2H"	36.948606
"947400"	404.167894	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-H+HCOOH"	44.998194
"365981"	763.337601	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+HCOOH-H"	44.998201
"351322"	777.353251	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+Hac-H"	59.013851
"1495781"	418.183551	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Hac-H"	59.013851
"961499"	426.149851	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-H+NaCOOH"	66.980151
"113323"	394.139102	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+2Cl"	69.938804
"553611"	573.723952	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+2Cl"	69.938804
"1022530"	214.554252	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2Cl"	69.938804
"1246000"	438.088585	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Br"	78.918885
"1311365"	440.144572	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Cl+HCOOH"	80.974872
"1326675"	462.126529	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Cl+NaCOOH"	102.956829
"918827"	472.155286	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M-H+CF3COOH"	112.985586
"1295535"	508.131964	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Cl+CF3COOH"	148.962264
"1374790"	324.157024	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H-2H2O"	-35.012676
"1392288"	342.167	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H-H2O"	-17.0027
"288692"	719.346676	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+H"	1.007276
"682206"	1078.516376	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+H"	1.007276
"1356005"	360.176976	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H"	1.007276
"130354"	360.176976	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+2H"	2.014552
"569183"	539.761826	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+2H"	2.014552
"1043091"	180.592126	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2H"	2.014552
"212086"	240.453742666667	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+3H"	3.021828
"648366"	360.176976	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+3H"	3.021828
"1170867"	120.730509333333	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+3H"	3.021828
"429764"	736.373223	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+NH4"	18.033823
"795133"	1095.542923	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+NH4"	18.033823
"1690372"	377.203523	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+NH4"	18.033823
"337557"	368.6902495	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+H+NH4"	19.041099
"726698"	548.2750995	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+H+NH4"	19.041099
"1484890"	189.1053995	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H+NH4"	19.041099
"397009"	741.328618	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+Na"	22.989218
"754964"	1100.498318	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+Na"	22.989218
"1606105"	382.158918	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Na"	22.989218
"316141"	371.167947	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+H+Na"	23.996494
"708562"	550.752797	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+H+Na"	23.996494
"1464573"	191.583097	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H+Na"	23.996494
"1055632"	128.057823333333	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2H+Na"	25.00377
"1264964"	392.203186	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+CH3OH+H"	33.033486
"382447"	757.302558	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+K"	38.963158
"748910"	1116.472258	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+K"	38.963158
"1546590"	398.132858	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+K"	38.963158
"305953"	379.154917	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+H+K"	39.970434
"700561"	558.739767	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+H+K"	39.970434
"1456566"	199.570067	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H+K"	39.970434
"247355"	760.373226	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+ACN+H"	42.033826
"1221158"	401.203526	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+ACN+H"	42.033826
"1202854"	201.105401	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+ACN+2H"	43.041102
"195724"	763.31056	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+2Na-H"	44.97116
"638567"	1122.48026	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+2Na-H"	44.97116
"1136607"	404.14086	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2Na-H"	44.97116
"176249"	382.158918	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+2Na"	45.978436
"618358"	561.743768	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+2Na"	45.978436
"1118594"	202.574068	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2Na"	45.978436
"1408680"	135.385137333333	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H+2Na"	46.985712
"1434232"	406.182446	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H+HCOOH"	47.012746
"228308"	387.19194	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+3H2O+2H"	56.04448
"1518558"	420.23449	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+IsoProp+H"	61.06479
"419339"	390.145888	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+Na+K"	61.952376
"779241"	569.730738	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+Na+K"	61.952376
"1675573"	210.561038	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Na+K"	61.952376
"257717"	782.355168	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+ACN+Na"	64.015768
"1233707"	423.185468	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+ACN+Na"	64.015768
"1720410"	423.208993	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+NH4+HCOOH"	64.039293
"1187948"	142.712451333333	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+3Na"	68.967654
"1657841"	428.164388	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Na+HCOOH"	68.994688
"171756"	795.25844	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+2K-H"	76.91904
"611195"	1154.42814	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+2K-H"	76.91904
"1097529"	436.08874	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2K-H"	76.91904
"153249"	398.132858	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"2M+2K"	77.926316
"587343"	577.717708	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"3M+2K"	77.926316
"1072948"	218.548008	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2K"	77.926316
"1105063"	438.103292	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2K+H"	78.933592
"1339263"	438.190907	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+DMSO+H"	79.021207
"1009979"	442.230076	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2ACN+H"	83.060376
"1529196"	443.223708	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+IsoProp+Na+H"	84.054008
"997839"	221.618676	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+2ACN+2H"	84.067652
"1590159"	444.138328	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+K+HCOOH"	84.968628
"1419099"	474.169838	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+H+CF3COOH"	115.000138
"1155949"	242.131951	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+3ACN+2H"	125.094202
"1703310"	491.196385	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+NH4+CF3COOH"	132.026685
"1635683"	496.15178	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+Na+CF3COOH"	136.98208
"1581177"	512.12572	"C18495"	"Etoxazole"	"C21H23F2NO2"	"359.1697"	"M+K+CF3COOH"	152.95602
"811541"	344.0694	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M"	0
"985073"	325.05101	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-H2O-H"	-19.01839
"77330"	228.372324	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M-3H"	-3.021828
"506318"	343.062124	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M-3H"	-3.021828
"886306"	113.682524	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-3H"	-3.021828
"7066"	343.062124	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M-2H"	-2.014552
"443348"	515.096824	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M-2H"	-2.014552
"821150"	171.027424	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-2H"	-2.014552
"82240"	687.131524	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M-H"	-1.007276
"520706"	1031.200924	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M-H"	-1.007276
"906175"	343.062124	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-H"	-1.007276
"57269"	704.158071	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M-2H+NH4"	16.019271
"494642"	1048.227471	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M-2H+NH4"	16.019271
"871348"	360.088671	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-2H+NH4"	16.019271
"35977"	709.113466	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M-2H+Na"	20.974666
"477725"	1053.182866	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M-2H+Na"	20.974666
"854433"	365.044066	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-2H+Na"	20.974666
"1623965"	365.044066	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Na-2H"	20.974666
"102680"	361.050463	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M-H+Cl"	33.962126
"543335"	533.085163	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M-H+Cl"	33.962126
"933570"	189.015763	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-H+Cl"	33.962126
"273220"	723.108202	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+Cl"	34.969402
"666005"	1067.177602	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+Cl"	34.969402
"1277679"	379.038802	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Cl"	34.969402
"20965"	725.087406	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M-2H+K"	36.948606
"459065"	1069.156806	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M-2H+K"	36.948606
"838326"	381.018006	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-2H+K"	36.948606
"1560354"	381.018006	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+K-2H"	36.948606
"947510"	389.067594	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-H+HCOOH"	44.998194
"363175"	733.137001	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+HCOOH-H"	44.998201
"352891"	747.152651	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+Hac-H"	59.013851
"1496255"	403.083251	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Hac-H"	59.013851
"961609"	411.049551	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-H+NaCOOH"	66.980151
"113797"	379.038802	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+2Cl"	69.938804
"554086"	551.073502	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+2Cl"	69.938804
"1022884"	207.004102	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2Cl"	69.938804
"1245746"	422.988285	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Br"	78.918885
"1310017"	425.044272	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Cl+HCOOH"	80.974872
"1328973"	447.026229	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Cl+NaCOOH"	102.956829
"915658"	457.054986	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M-H+CF3COOH"	112.985586
"1296738"	493.031664	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Cl+CF3COOH"	148.962264
"1377088"	309.056724	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H-2H2O"	-35.012676
"1393491"	327.0667	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H-H2O"	-17.0027
"292083"	689.146076	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+H"	1.007276
"685598"	1033.215476	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+H"	1.007276
"1353199"	345.076676	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H"	1.007276
"130463"	345.076676	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+2H"	2.014552
"569656"	517.111376	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+2H"	2.014552
"1044294"	173.041976	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2H"	2.014552
"208916"	230.386876	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+3H"	3.021828
"650663"	345.076676	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+3H"	3.021828
"1172070"	115.697076	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+3H"	3.021828
"432061"	706.172623	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+NH4"	18.033823
"795243"	1050.242023	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+NH4"	18.033823
"1691575"	362.103223	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+NH4"	18.033823
"338759"	353.5899495	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+H+NH4"	19.041099
"727901"	525.6246495	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+H+NH4"	19.041099
"1486093"	181.5552495	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H+NH4"	19.041099
"393472"	711.128018	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+Na"	22.989218
"754589"	1055.197418	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+Na"	22.989218
"1602973"	367.058618	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Na"	22.989218
"314793"	356.067647	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+H+Na"	23.996494
"708065"	528.102347	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+H+Na"	23.996494
"1463589"	184.032947	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H+Na"	23.996494
"1055742"	123.02439	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2H+Na"	25.00377
"1265074"	377.102886	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+CH3OH+H"	33.033486
"383650"	727.101958	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+K"	38.963158
"749020"	1071.171358	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+K"	38.963158
"1547793"	383.032558	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+K"	38.963158
"304970"	364.054617	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+H+K"	39.970434
"702859"	536.089317	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+H+K"	39.970434
"1457771"	192.019917	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H+K"	39.970434
"246373"	730.172626	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+ACN+H"	42.033826
"1219081"	386.103226	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+ACN+H"	42.033826
"1201870"	193.555251	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+ACN+2H"	43.041102
"191825"	733.10996	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+2Na-H"	44.97116
"631022"	1077.17936	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+2Na-H"	44.97116
"1135623"	389.04056	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2Na-H"	44.97116
"177088"	367.058618	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+2Na"	45.978436
"616282"	539.093318	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+2Na"	45.978436
"1115947"	195.023918	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2Na"	45.978436
"1402229"	130.351704	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H+2Na"	46.985712
"1432155"	391.082146	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H+HCOOH"	47.012746
"221119"	372.09164	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+3H2O+2H"	56.04448
"1516481"	405.13419	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+IsoProp+H"	61.06479
"419449"	375.045588	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+Na+K"	61.952376
"778257"	547.080288	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+Na+K"	61.952376
"1668754"	203.010888	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Na+K"	61.952376
"254908"	752.154568	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+ACN+Na"	64.015768
"1230899"	408.085168	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+ACN+Na"	64.015768
"1719423"	408.108693	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+NH4+HCOOH"	64.039293
"1185140"	137.679018	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+3Na"	68.967654
"1657951"	413.064088	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Na+HCOOH"	68.994688
"172474"	765.05784	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+2K-H"	76.91904
"608754"	1109.12724	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+2K-H"	76.91904
"1098369"	420.98844	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2K-H"	76.91904
"153361"	383.032558	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"2M+2K"	77.926316
"587453"	555.067258	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"3M+2K"	77.926316
"1076337"	210.997858	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2K"	77.926316
"1106266"	423.002992	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2K+H"	78.933592
"1339375"	423.090607	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+DMSO+H"	79.021207
"1010090"	427.129776	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2ACN+H"	83.060376
"1528213"	428.123408	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+IsoProp+Na+H"	84.054008
"995762"	214.068526	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+2ACN+2H"	84.067652
"1592456"	429.038028	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+K+HCOOH"	84.968628
"1419209"	459.069538	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+H+CF3COOH"	115.000138
"1154966"	234.581801	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+3ACN+2H"	125.094202
"1705609"	476.096085	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+NH4+CF3COOH"	132.026685
"1636886"	481.05148	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+Na+CF3COOH"	136.98208
"1581287"	497.02542	"C18496"	"Oxadiazon"	"C15H18Cl2N2O3"	"344.0694"	"M+K+CF3COOH"	152.95602
"811651"	350.1413	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M"	0
"985186"	331.12291	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-H2O-H"	-19.01839
"76347"	232.420257333333	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M-3H"	-3.021828
"510800"	349.134024	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M-3H"	-3.021828
"886416"	115.706490666667	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-3H"	-3.021828
"6083"	349.134024	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M-2H"	-2.014552
"445645"	524.204674	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M-2H"	-2.014552
"821260"	174.063374	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-2H"	-2.014552
"82350"	699.275324	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M-H"	-1.007276
"521910"	1049.416624	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M-H"	-1.007276
"906285"	349.134024	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-H"	-1.007276
"58473"	716.301871	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M-2H+NH4"	16.019271
"496939"	1066.443171	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M-2H+NH4"	16.019271
"871459"	366.160571	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-2H+NH4"	16.019271
"37181"	721.257266	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M-2H+Na"	20.974666
"477835"	1071.398566	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M-2H+Na"	20.974666
"855637"	371.115966	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-2H+Na"	20.974666
"1622982"	371.115966	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Na-2H"	20.974666
"99510"	367.122363	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M-H+Cl"	33.962126
"542352"	542.193013	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M-H+Cl"	33.962126
"935867"	192.051713	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-H+Cl"	33.962126
"274423"	735.252002	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+Cl"	34.969402
"665753"	1085.393302	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+Cl"	34.969402
"1277788"	385.110702	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Cl"	34.969402
"22531"	737.231206	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M-2H+K"	36.948606
"459175"	1087.372506	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M-2H+K"	36.948606
"835883"	387.089906	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-2H+K"	36.948606
"1559370"	387.089906	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+K-2H"	36.948606
"947620"	395.139494	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-H+HCOOH"	44.998194
"364013"	745.280801	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+HCOOH-H"	44.998201
"348625"	759.296451	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+Hac-H"	59.013851
"1494541"	409.155151	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Hac-H"	59.013851
"960990"	417.121451	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-H+NaCOOH"	66.980151
"115365"	385.110702	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+2Cl"	69.938804
"553831"	560.181352	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+2Cl"	69.938804
"1022264"	210.040052	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2Cl"	69.938804
"1246584"	429.060185	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Br"	78.918885
"1307941"	431.116172	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Cl+HCOOH"	80.974872
"1326896"	453.098129	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Cl+NaCOOH"	102.956829
"916860"	463.126886	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M-H+CF3COOH"	112.985586
"1296848"	499.103564	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Cl+CF3COOH"	148.962264
"1378291"	315.128624	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H-2H2O"	-35.012676
"1390321"	333.1386	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H-H2O"	-17.0027
"291100"	701.289876	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+H"	1.007276
"685708"	1051.431176	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+H"	1.007276
"1357684"	351.148576	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H"	1.007276
"130573"	351.148576	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+2H"	2.014552
"568309"	526.219226	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+2H"	2.014552
"1042218"	176.077926	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2H"	2.014552
"211213"	234.434809333333	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+3H"	3.021828
"650774"	351.148576	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+3H"	3.021828
"1169995"	117.721042666667	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+3H"	3.021828
"432171"	718.316423	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+NH4"	18.033823
"795353"	1068.457723	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+NH4"	18.033823
"1691687"	368.175123	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+NH4"	18.033823
"342149"	359.6618495	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+H+NH4"	19.041099
"730199"	534.7324995	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+H+NH4"	19.041099
"1490213"	184.5911995	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H+NH4"	19.041099
"392827"	723.271818	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+Na"	22.989218
"756766"	1073.413118	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+Na"	22.989218
"1603651"	373.130518	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Na"	22.989218
"315633"	362.139547	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+H+Na"	23.996494
"708422"	537.210197	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+H+Na"	23.996494
"1462608"	187.068897	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H+Na"	23.996494
"1056946"	125.048356666667	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2H+Na"	25.00377
"1259719"	383.174786	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+CH3OH+H"	33.033486
"384855"	739.245758	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+K"	38.963158
"750224"	1089.387058	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+K"	38.963158
"1547904"	389.104458	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+K"	38.963158
"307267"	370.126517	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+H+K"	39.970434
"702969"	545.197167	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+H+K"	39.970434
"1456789"	195.055867	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H+K"	39.970434
"246484"	742.316426	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+ACN+H"	42.033826
"1221377"	392.175126	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+ACN+H"	42.033826
"1201981"	196.591201	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+ACN+2H"	43.041102
"197038"	745.25376	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+2Na-H"	44.97116
"639880"	1095.39506	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+2Na-H"	44.97116
"1136097"	395.11246	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2Na-H"	44.97116
"176469"	373.130518	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+2Na"	45.978436
"614936"	548.201168	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+2Na"	45.978436
"1117719"	198.059868	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2Na"	45.978436
"1403432"	132.375670666667	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H+2Na"	46.985712
"1432265"	397.154046	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H+HCOOH"	47.012746
"220866"	378.16354	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+3H2O+2H"	56.04448
"1512216"	411.20609	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+IsoProp+H"	61.06479
"417372"	381.117488	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+Na+K"	61.952376
"779461"	556.188138	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+Na+K"	61.952376
"1668864"	206.046838	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Na+K"	61.952376
"255747"	764.298368	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+ACN+Na"	64.015768
"1229916"	414.157068	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+ACN+Na"	64.015768
"1720626"	414.180593	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+NH4+HCOOH"	64.039293
"1183063"	139.702984666667	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+3Na"	68.967654
"1656601"	419.135988	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Na+HCOOH"	68.994688
"170394"	777.20164	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+2K-H"	76.91904
"608860"	1127.34294	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+2K-H"	76.91904
"1098841"	427.06034	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2K-H"	76.91904
"154563"	389.104458	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"2M+2K"	77.926316
"587565"	564.175108	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"3M+2K"	77.926316
"1072803"	214.033808	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2K"	77.926316
"1103099"	429.074892	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2K+H"	78.933592
"1339485"	429.162507	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+DMSO+H"	79.021207
"1009107"	433.201676	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2ACN+H"	83.060376
"1527232"	434.195308	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+IsoProp+Na+H"	84.054008
"995872"	217.104476	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+2ACN+2H"	84.067652
"1592566"	435.109928	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+K+HCOOH"	84.968628
"1421507"	465.141438	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+H+CF3COOH"	115.000138
"1157263"	237.617751	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+3ACN+2H"	125.094202
"1708999"	482.167985	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+NH4+CF3COOH"	132.026685
"1636267"	487.12338	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+Na+CF3COOH"	136.98208
"1581397"	503.09732	"C18497"	"Cafenstrole"	"C16H22N4O3S"	"350.1413"	"M+K+CF3COOH"	152.95602
"811761"	198.0753	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M"	0
"984200"	179.05691	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-H2O-H"	-19.01839
"75361"	131.042924	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M-3H"	-3.021828
"512005"	197.068024	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M-3H"	-3.021828
"887621"	65.017824	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-3H"	-3.021828
"6195"	197.068024	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M-2H"	-2.014552
"446849"	296.105674	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M-2H"	-2.014552
"821370"	98.030374	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-2H"	-2.014552
"84648"	395.143324	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M-H"	-1.007276
"519832"	593.218624	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M-H"	-1.007276
"904205"	197.068024	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-H"	-1.007276
"55299"	412.169871	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M-2H+NH4"	16.019271
"489389"	610.245171	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M-2H+NH4"	16.019271
"871569"	214.094571	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-2H+NH4"	16.019271
"42761"	417.125266	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M-2H+Na"	20.974666
"485604"	615.200566	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M-2H+Na"	20.974666
"862311"	219.049966	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-2H+Na"	20.974666
"1629657"	219.049966	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Na-2H"	20.974666
"105091"	215.056363	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M-H+Cl"	33.962126
"545381"	314.094013	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M-H+Cl"	33.962126
"938166"	116.018713	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-H+Cl"	33.962126
"277815"	431.120002	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+Cl"	34.969402
"670966"	629.195302	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+Cl"	34.969402
"1283733"	233.044702	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Cl"	34.969402
"23009"	433.099206	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M-2H+K"	36.948606
"463662"	631.174506	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M-2H+K"	36.948606
"840004"	235.023906	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-2H+K"	36.948606
"1560574"	235.023906	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+K-2H"	36.948606
"947730"	243.073494	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-H+HCOOH"	44.998194
"366679"	441.148801	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+HCOOH-H"	44.998201
"350195"	455.164451	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+Hac-H"	59.013851
"1498302"	257.089151	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Hac-H"	59.013851
"959643"	265.055451	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-H+NaCOOH"	66.980151
"111466"	233.044702	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+2Cl"	69.938804
"554671"	332.082352	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+2Cl"	69.938804
"1028575"	134.007052	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2Cl"	69.938804
"1243778"	276.994185	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Br"	78.918885
"1304278"	279.050172	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Cl+HCOOH"	80.974872
"1322632"	301.032129	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Cl+NaCOOH"	102.956829
"913691"	311.060886	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M-H+CF3COOH"	112.985586
"1294772"	347.037564	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Cl+CF3COOH"	148.962264
"1372206"	163.062624	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H-2H2O"	-35.012676
"1386422"	181.0726	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H-H2O"	-17.0027
"291211"	397.157876	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+H"	1.007276
"683632"	595.233176	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+H"	1.007276
"1356701"	199.082576	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H"	1.007276
"131777"	199.082576	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+2H"	2.014552
"570243"	298.120226	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+2H"	2.014552
"1048889"	100.044926	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2H"	2.014552
"215700"	133.057476	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+3H"	3.021828
"651979"	199.082576	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+3H"	3.021828
"1172292"	67.032376	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+3H"	3.021828
"437751"	414.184423	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+NH4"	18.033823
"799476"	612.259723	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+NH4"	18.033823
"1692890"	216.109123	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+NH4"	18.033823
"340073"	207.5958495	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+H+NH4"	19.041099
"729214"	306.6334995	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+H+NH4"	19.041099
"1485220"	108.5581995	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H+NH4"	19.041099
"393085"	419.139818	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+Na"	22.989218
"755054"	617.215118	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+Na"	22.989218
"1603760"	221.064518	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Na"	22.989218
"315259"	210.073547	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+H+Na"	23.996494
"708407"	309.111197	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+H+Na"	23.996494
"1465997"	111.035897	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H+Na"	23.996494
"1055963"	74.35969	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2H+Na"	25.00377
"1263109"	231.108786	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+CH3OH+H"	33.033486
"387151"	435.113758	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+K"	38.963158
"749240"	633.189058	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+K"	38.963158
"1549108"	237.038458	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+K"	38.963158
"304097"	218.060517	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+H+K"	39.970434
"698704"	317.098167	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+H+K"	39.970434
"1455806"	119.022867	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H+K"	39.970434
"246594"	438.184426	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+ACN+H"	42.033826
"1219301"	240.109126	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+ACN+H"	42.033826
"1202090"	120.558201	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+ACN+2H"	43.041102
"193137"	441.12176	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+2Na-H"	44.97116
"634158"	639.19706	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+2Na-H"	44.97116
"1137299"	243.04646	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2Na-H"	44.97116
"176944"	221.064518	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+2Na"	45.978436
"616869"	320.102168	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+2Na"	45.978436
"1118914"	122.026868	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2Na"	45.978436
"1401345"	81.687004	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H+2Na"	46.985712
"1433460"	245.088046	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H+HCOOH"	47.012746
"223889"	226.09754	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+3H2O+2H"	56.04448
"1512326"	259.14009	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+IsoProp+H"	61.06479
"416388"	229.051488	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+Na+K"	61.952376
"778114"	328.089138	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+Na+K"	61.952376
"1668246"	130.013838	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Na+K"	61.952376
"254764"	460.166368	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+ACN+Na"	64.015768
"1228932"	262.091068	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+ACN+Na"	64.015768
"1719277"	262.114593	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+NH4+HCOOH"	64.039293
"1183901"	89.014318	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+3Na"	68.967654
"1655617"	267.069988	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Na+HCOOH"	68.994688
"171600"	473.06964	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+2K-H"	76.91904
"605690"	671.14494	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+2K-H"	76.91904
"1097859"	274.99434	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2K-H"	76.91904
"154674"	237.038458	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"2M+2K"	77.926316
"587675"	336.076108	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"3M+2K"	77.926316
"1074372"	138.000808	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2K"	77.926316
"1104302"	277.008892	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2K+H"	78.933592
"1340690"	277.096507	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+DMSO+H"	79.021207
"1007273"	281.135676	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2ACN+H"	83.060376
"1527342"	282.129308	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+IsoProp+Na+H"	84.054008
"993796"	141.071476	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+2ACN+2H"	84.067652
"1591584"	283.043928	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+K+HCOOH"	84.968628
"1421618"	313.075438	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+H+CF3COOH"	115.000138
"1160655"	161.584751	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+3ACN+2H"	125.094202
"1711297"	330.101985	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+NH4+CF3COOH"	132.026685
"1635648"	335.05738	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+Na+CF3COOH"	136.98208
"1581507"	351.03132	"C18498"	"Cymoxanil"	"C7H10N4O3"	"198.0753"	"M+K+CF3COOH"	152.95602
"816859"	275.0747	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M"	0
"986135"	256.05631	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-H2O-H"	-19.01839
"76931"	182.375857333333	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M-3H"	-3.021828
"512115"	274.067424	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M-3H"	-3.021828
"887731"	90.6842906666667	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-3H"	-3.021828
"10680"	274.067424	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M-2H"	-2.014552
"449147"	411.604774	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M-2H"	-2.014552
"826948"	136.530074	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-2H"	-2.014552
"88038"	549.142124	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M-H"	-1.007276
"525412"	824.216824	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M-H"	-1.007276
"902128"	274.067424	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-H"	-1.007276
"58692"	566.168671	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M-2H+NH4"	16.019271
"498618"	841.243371	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M-2H+NH4"	16.019271
"872772"	291.093971	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-2H+NH4"	16.019271
"44694"	571.124066	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M-2H+Na"	20.974666
"481337"	846.198766	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M-2H+Na"	20.974666
"860236"	296.049366	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-2H+Na"	20.974666
"1630862"	296.049366	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Na-2H"	20.974666
"107388"	292.055763	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M-H+Cl"	33.962126
"546951"	429.593113	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M-H+Cl"	33.962126
"939370"	154.518413	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-H+Cl"	33.962126
"275741"	585.118802	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+Cl"	34.969402
"671441"	860.193502	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+Cl"	34.969402
"1280566"	310.044102	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Cl"	34.969402
"19109"	587.098006	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M-2H+K"	36.948606
"460495"	862.172706	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M-2H+K"	36.948606
"843763"	312.023306	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-2H+K"	36.948606
"1562876"	312.023306	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+K-2H"	36.948606
"952944"	320.072894	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-H+HCOOH"	44.998194
"368975"	595.147601	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+HCOOH-H"	44.998201
"352126"	609.163251	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+Hac-H"	59.013851
"1495493"	334.088551	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Hac-H"	59.013851
"961577"	342.054851	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-H+NaCOOH"	66.980151
"112306"	310.044102	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+2Cl"	69.938804
"552597"	447.581452	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+2Cl"	69.938804
"1025773"	172.506752	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2Cl"	69.938804
"1247176"	353.993585	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Br"	78.918885
"1309257"	356.049572	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Cl+HCOOH"	80.974872
"1326390"	378.031529	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Cl+NaCOOH"	102.956829
"922551"	388.060286	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M-H+CF3COOH"	112.985586
"1294886"	424.036964	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Cl+CF3COOH"	148.962264
"1376328"	240.062024	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H-2H2O"	-35.012676
"1389450"	258.072	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H-H2O"	-17.0027
"288041"	551.156676	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+H"	1.007276
"685934"	826.231376	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+H"	1.007276
"1361190"	276.081976	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H"	1.007276
"132982"	276.081976	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+2H"	2.014552
"573637"	413.619326	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+2H"	2.014552
"1047906"	138.544626	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2H"	2.014552
"217998"	184.390409333333	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+3H"	3.021828
"654278"	276.081976	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+3H"	3.021828
"1170216"	92.6988426666667	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+3H"	3.021828
"436768"	568.183223	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+NH4"	18.033823
"795577"	843.257923	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+NH4"	18.033823
"1691907"	293.108523	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+NH4"	18.033823
"340184"	284.5952495	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+H+NH4"	19.041099
"734792"	422.1325995	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+H+NH4"	19.041099
"1488615"	147.0578995	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H+NH4"	19.041099
"396363"	573.138618	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+Na"	22.989218
"761729"	848.213318	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+Na"	22.989218
"1607643"	298.063918	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Na"	22.989218
"319868"	287.072947	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+H+Na"	23.996494
"717756"	424.610297	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+H+Na"	23.996494
"1474858"	149.535597	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H+Na"	23.996494
"1064826"	100.026156666667	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2H+Na"	25.00377
"1272217"	308.108186	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+CH3OH+H"	33.033486
"389451"	589.112558	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+K"	38.963158
"752634"	864.187258	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+K"	38.963158
"1548127"	314.037858	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+K"	38.963158
"308583"	295.059917	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+H+K"	39.970434
"705014"	432.597267	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+H+K"	39.970434
"1454826"	157.522567	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H+K"	39.970434
"247800"	592.183226	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+ACN+H"	42.033826
"1224394"	317.108526	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+ACN+H"	42.033826
"1203296"	159.057901	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+ACN+2H"	43.041102
"191426"	595.12056	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+2Na-H"	44.97116
"631716"	870.19526	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+2Na-H"	44.97116
"1137408"	320.04586	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2Na-H"	44.97116
"176326"	298.063918	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+2Na"	45.978436
"613129"	435.601268	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+2Na"	45.978436
"1116230"	160.526568	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2Na"	45.978436
"1399270"	107.353470666667	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H+2Na"	46.985712
"1431019"	322.087446	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H+HCOOH"	47.012746
"221813"	303.09694	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+3H2O+2H"	56.04448
"1513529"	336.13949	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+IsoProp+H"	61.06479
"416498"	306.050888	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+Na+K"	61.952376
"776401"	443.588238	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+Na+K"	61.952376
"1669449"	168.513538	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Na+K"	61.952376
"254874"	614.165168	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+ACN+Na"	64.015768
"1226604"	339.090468	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+ACN+Na"	64.015768
"1717201"	339.113993	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+NH4+HCOOH"	64.039293
"1184013"	114.680784666667	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+3Na"	68.967654
"1652445"	344.069388	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Na+HCOOH"	68.994688
"171344"	627.06844	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+2K-H"	76.91904
"606893"	902.14314	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+2K-H"	76.91904
"1099429"	351.99374	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2K-H"	76.91904
"154784"	314.037858	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"2M+2K"	77.926316
"587785"	451.575208	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"3M+2K"	77.926316
"1073387"	176.500508	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2K"	77.926316
"1104413"	354.008292	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2K+H"	78.933592
"1349428"	354.095907	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+DMSO+H"	79.021207
"1010423"	358.135076	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2ACN+H"	83.060376
"1527086"	359.128708	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+IsoProp+Na+H"	84.054008
"998284"	179.571176	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+2ACN+2H"	84.067652
"1596070"	360.043328	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+K+HCOOH"	84.968628
"1427927"	390.074838	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+H+CF3COOH"	115.000138
"1161494"	200.084451	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+3ACN+2H"	125.094202
"1708127"	407.101385	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+NH4+CF3COOH"	132.026685
"1637219"	412.05678	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+Na+CF3COOH"	136.98208
"1581617"	428.03072	"C18499"	"Dimethenamid"	"C12H18ClNO2S"	"275.0747"	"M+K+CF3COOH"	152.95602
"802504"	339.0429	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M"	0
"982233"	320.02451	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-H2O-H"	-19.01839
"76674"	225.021324	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M-3H"	-3.021828
"508944"	338.035624	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M-3H"	-3.021828
"886744"	112.007024	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-3H"	-3.021828
"6415"	338.035624	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M-2H"	-2.014552
"452535"	507.557074	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M-2H"	-2.014552
"823778"	168.514174	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-2H"	-2.014552
"85961"	677.078524	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M-H"	-1.007276
"525522"	1016.121424	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M-H"	-1.007276
"906247"	338.035624	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-H"	-1.007276
"60625"	694.105071	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M-2H+NH4"	16.019271
"500188"	1033.147971	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M-2H+NH4"	16.019271
"873975"	355.062171	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-2H+NH4"	16.019271
"44441"	699.060466	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M-2H+Na"	20.974666
"485580"	1038.103366	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M-2H+Na"	20.974666
"860346"	360.017566	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-2H+Na"	20.974666
"1629517"	360.017566	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Na-2H"	20.974666
"105311"	356.023963	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M-H+Cl"	33.962126
"547910"	525.545413	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M-H+Cl"	33.962126
"940572"	186.502513	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-H+Cl"	33.962126
"276943"	713.055202	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+Cl"	34.969402
"673740"	1052.098102	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+Cl"	34.969402
"1281769"	374.012302	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Cl"	34.969402
"22865"	715.034406	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M-2H+K"	36.948606
"462791"	1054.077306	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M-2H+K"	36.948606
"844966"	375.991506	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-2H+K"	36.948606
"1564079"	375.991506	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+K-2H"	36.948606
"954877"	384.041094	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-H+HCOOH"	44.998194
"372365"	723.084001	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+HCOOH-H"	44.998201
"352236"	737.099651	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+Hac-H"	59.013851
"1493656"	398.056751	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Hac-H"	59.013851
"966062"	406.023051	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-H+NaCOOH"	66.980151
"111687"	374.012302	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+2Cl"	69.938804
"550515"	543.533752	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+2Cl"	69.938804
"1024057"	204.490852	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2Cl"	69.938804
"1243270"	417.961785	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Br"	78.918885
"1308638"	420.017772	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Cl+HCOOH"	80.974872
"1323945"	441.999729	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Cl+NaCOOH"	102.956829
"919377"	452.028486	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M-H+CF3COOH"	112.985586
"1291347"	488.005164	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Cl+CF3COOH"	148.962264
"1367806"	304.030224	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H-2H2O"	-35.012676
"1386641"	322.0402	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H-H2O"	-17.0027
"283083"	679.093076	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+H"	1.007276
"678387"	1018.135976	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+H"	1.007276
"1355828"	340.050176	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H"	1.007276
"129810"	340.050176	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+2H"	2.014552
"567547"	509.571626	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+2H"	2.014552
"1039629"	170.528726	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2H"	2.014552
"218108"	227.035876	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+3H"	3.021828
"657304"	340.050176	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+3H"	3.021828
"1171420"	114.021576	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+3H"	3.021828
"437608"	696.119623	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+NH4"	18.033823
"798967"	1035.162523	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+NH4"	18.033823
"1694201"	357.076723	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+NH4"	18.033823
"340294"	348.5634495	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+H+NH4"	19.041099
"734905"	518.0848995	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+H+NH4"	19.041099
"1490547"	179.0419995	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H+NH4"	19.041099
"398659"	701.075018	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+Na"	22.989218
"762933"	1040.117918	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+Na"	22.989218
"1607753"	362.032118	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Na"	22.989218
"321071"	351.041147	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+H+Na"	23.996494
"718959"	520.562597	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+H+Na"	23.996494
"1473875"	181.519697	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H+Na"	23.996494
"1064936"	121.34889	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2H+Na"	25.00377
"1272568"	372.076386	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+CH3OH+H"	33.033486
"392114"	717.048958	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+K"	38.963158
"753838"	1056.091858	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+K"	38.963158
"1542768"	378.006058	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+K"	38.963158
"303225"	359.028117	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+H+K"	39.970434
"706219"	528.549567	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+H+K"	39.970434
"1454936"	189.506667	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H+K"	39.970434
"245723"	720.119626	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+ACN+H"	42.033826
"1222803"	381.076726	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+ACN+H"	42.033826
"1203406"	191.042001	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+ACN+2H"	43.041102
"189717"	723.05696	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+2Na-H"	44.97116
"631097"	1062.09986	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+2Na-H"	44.97116
"1136062"	384.01406	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2Na-H"	44.97116
"174369"	362.032118	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+2Na"	45.978436
"614415"	531.553568	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+2Na"	45.978436
"1116582"	192.510668	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2Na"	45.978436
"1398651"	128.676204	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H+2Na"	46.985712
"1430156"	386.055646	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H+HCOOH"	47.012746
"222289"	367.06514	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+3H2O+2H"	56.04448
"1508557"	400.10769	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+IsoProp+H"	61.06479
"416608"	370.019088	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+Na+K"	61.952376
"776510"	539.540538	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+Na+K"	61.952376
"1668830"	200.497638	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Na+K"	61.952376
"253162"	742.101568	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+ACN+Na"	64.015768
"1226468"	403.058668	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+ACN+Na"	64.015768
"1718040"	403.082193	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+NH4+HCOOH"	64.039293
"1184851"	136.003518	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+3Na"	68.967654
"1651097"	408.037588	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Na+HCOOH"	68.994688
"160876"	755.00484	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+2K-H"	76.91904
"604816"	1094.04774	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+2K-H"	76.91904
"1099296"	415.96194	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2K-H"	76.91904
"154894"	378.006058	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"2M+2K"	77.926316
"587894"	547.527508	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"3M+2K"	77.926316
"1071314"	208.484608	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2K"	77.926316
"1103430"	417.976492	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2K+H"	78.933592
"1347473"	418.064107	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+DMSO+H"	79.021207
"1013814"	422.103276	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2ACN+H"	83.060376
"1528655"	423.096908	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+IsoProp+Na+H"	84.054008
"996206"	211.555276	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+2ACN+2H"	84.067652
"1591804"	424.011528	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+K+HCOOH"	84.968628
"1424026"	454.043038	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+H+CF3COOH"	115.000138
"1159781"	232.068551	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+3ACN+2H"	125.094202
"1708237"	471.069585	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+NH4+CF3COOH"	132.026685
"1638422"	476.02498	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+Na+CF3COOH"	136.98208
"1581727"	491.99892	"C18500"	"Etobenzanid"	"C16H15Cl2NO3"	"339.0429"	"M+K+CF3COOH"	152.95602
"802250"	349.1306	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M"	0
"975782"	330.11221	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-H2O-H"	-19.01839
"76055"	231.746457333333	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M-3H"	-3.021828
"509054"	348.123324	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M-3H"	-3.021828
"885761"	115.369590666667	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-3H"	-3.021828
"5432"	348.123324	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M-2H"	-2.014552
"448272"	522.688624	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M-2H"	-2.014552
"822795"	173.558024	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-2H"	-2.014552
"83885"	697.253924	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M-H"	-1.007276
"525632"	1046.384524	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M-H"	-1.007276
"906721"	348.123324	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-H"	-1.007276
"55627"	714.280471	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M-2H+NH4"	16.019271
"489720"	1063.411071	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M-2H+NH4"	16.019271
"867522"	365.149871	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-2H+NH4"	16.019271
"45887"	719.235866	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M-2H+Na"	20.974666
"483744"	1068.366466	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M-2H+Na"	20.974666
"862276"	370.105266	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-2H+Na"	20.974666
"1626705"	370.105266	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Na-2H"	20.974666
"106514"	366.111663	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M-H+Cl"	33.962126
"547169"	540.676963	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M-H+Cl"	33.962126
"940319"	191.546363	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-H+Cl"	33.962126
"277053"	733.230602	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+Cl"	34.969402
"673728"	1082.361202	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+Cl"	34.969402
"1278963"	384.100002	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Cl"	34.969402
"19329"	735.209806	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M-2H+K"	36.948606
"465090"	1084.340406	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M-2H+K"	36.948606
"840701"	386.079206	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-2H+K"	36.948606
"1566374"	386.079206	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+K-2H"	36.948606
"953163"	394.128794	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-H+HCOOH"	44.998194
"369194"	743.259401	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+HCOOH-H"	44.998201
"351982"	757.275051	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+Hac-H"	59.013851
"1493646"	408.144451	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Hac-H"	59.013851
"962891"	416.110751	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-H+NaCOOH"	66.980151
"110459"	384.100002	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+2Cl"	69.938804
"553543"	558.665302	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+2Cl"	69.938804
"1024165"	209.534702	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2Cl"	69.938804
"1243014"	428.049485	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Br"	78.918885
"1304490"	430.105472	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Cl+HCOOH"	80.974872
"1321868"	452.087429	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Cl+NaCOOH"	102.956829
"919487"	462.116186	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M-H+CF3COOH"	112.985586
"1288820"	498.092864	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Cl+CF3COOH"	148.962264
"1368524"	314.117924	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H-2H2O"	-35.012676
"1384927"	332.1279	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H-H2O"	-17.0027
"282910"	699.268476	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+H"	1.007276
"677764"	1048.399076	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+H"	1.007276
"1353018"	350.137876	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H"	1.007276
"125943"	350.137876	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+2H"	2.014552
"565991"	524.703176	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+2H"	2.014552
"1040470"	175.572576	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2H"	2.014552
"217125"	233.761009333333	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+3H"	3.021828
"657414"	350.137876	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+3H"	3.021828
"1172623"	117.384142666667	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+3H"	3.021828
"435895"	716.295023	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+NH4"	18.033823
"800174"	1065.425623	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+NH4"	18.033823
"1693219"	367.164423	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+NH4"	18.033823
"341499"	358.6511495	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+H+NH4"	19.041099
"735382"	533.2164495	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+H+NH4"	19.041099
"1490660"	184.0858495	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H+NH4"	19.041099
"398769"	721.250418	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+Na"	22.989218
"765229"	1070.381018	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+Na"	22.989218
"1608956"	372.119818	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Na"	22.989218
"322274"	361.128847	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+H+Na"	23.996494
"718341"	535.694147	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+H+Na"	23.996494
"1473985"	186.563547	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H+Na"	23.996494
"1066139"	124.711456666667	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2H+Na"	25.00377
"1271097"	382.164086	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+CH3OH+H"	33.033486
"390401"	737.224358	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+K"	38.963158
"751761"	1086.354958	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+K"	38.963158
"1543971"	388.093758	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+K"	38.963158
"306615"	369.115817	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+H+K"	39.970434
"702319"	543.681117	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+H+K"	39.970434
"1453952"	194.550517	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H+K"	39.970434
"243646"	740.295026	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+ACN+H"	42.033826
"1220726"	391.164426	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+ACN+H"	42.033826
"1204609"	196.085851	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+ACN+2H"	43.041102
"192376"	743.23236	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+2Na-H"	44.97116
"630116"	1092.36296	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+2Na-H"	44.97116
"1139453"	394.10176	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2Na-H"	44.97116
"175090"	372.119818	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+2Na"	45.978436
"614769"	546.685118	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+2Na"	45.978436
"1116693"	197.554518	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2Na"	45.978436
"1400099"	132.038770666667	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H+2Na"	46.985712
"1430638"	396.143346	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H+HCOOH"	47.012746
"222399"	377.15284	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+3H2O+2H"	56.04448
"1509006"	410.19539	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+IsoProp+H"	61.06479
"413802"	380.106788	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+Na+K"	61.952376
"775527"	554.672088	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+Na+K"	61.952376
"1668211"	205.541488	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Na+K"	61.952376
"253635"	762.276968	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+ACN+Na"	64.015768
"1227069"	413.146368	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+ACN+Na"	64.015768
"1717786"	413.169893	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+NH4+HCOOH"	64.039293
"1184233"	139.366084666667	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+3Na"	68.967654
"1654126"	418.125288	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Na+HCOOH"	68.994688
"162809"	775.18024	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+2K-H"	76.91904
"604926"	1124.31084	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+2K-H"	76.91904
"1090531"	426.04964	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2K-H"	76.91904
"152816"	388.093758	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"2M+2K"	77.926316
"585449"	562.659058	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"3M+2K"	77.926316
"1074701"	213.528458	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2K"	77.926316
"1102809"	428.064192	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2K+H"	78.933592
"1342113"	428.151807	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+DMSO+H"	79.021207
"1009547"	432.190976	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2ACN+H"	83.060376
"1527672"	433.184608	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+IsoProp+Na+H"	84.054008
"996316"	216.599126	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+2ACN+2H"	84.067652
"1590821"	434.099228	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+K+HCOOH"	84.968628
"1424136"	464.130738	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+H+CF3COOH"	115.000138
"1159891"	237.112401	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+3ACN+2H"	125.094202
"1709440"	481.157285	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+NH4+CF3COOH"	132.026685
"1638532"	486.11268	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+Na+CF3COOH"	136.98208
"1581837"	502.08662	"C18501"	"Fentrazamide"	"C16H20ClN5O2"	"349.1306"	"M+K+CF3COOH"	152.95602
"802360"	323.1133	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M"	0
"985371"	304.09491	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-H2O-H"	-19.01839
"73977"	214.401590666667	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M-3H"	-3.021828
"505884"	322.106024	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M-3H"	-3.021828
"888058"	106.697157333333	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-3H"	-3.021828
"8822"	322.106024	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M-2H"	-2.014552
"449476"	483.662674	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M-2H"	-2.014552
"826185"	160.549374	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-2H"	-2.014552
"83995"	645.219324	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M-H"	-1.007276
"524649"	968.332624	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M-H"	-1.007276
"903550"	322.106024	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-H"	-1.007276
"52457"	662.245871	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M-2H+NH4"	16.019271
"488857"	985.359171	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M-2H+NH4"	16.019271
"867632"	339.132571	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-2H+NH4"	16.019271
"46483"	667.201266	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M-2H+Na"	20.974666
"486042"	990.314566	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M-2H+Na"	20.974666
"862023"	344.087966	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-2H+Na"	20.974666
"1627908"	344.087966	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Na-2H"	20.974666
"109419"	340.094363	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M-H+Cl"	33.962126
"547277"	501.651013	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M-H+Cl"	33.962126
"940064"	178.537713	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-H+Cl"	33.962126
"280078"	681.196002	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+Cl"	34.969402
"671773"	1004.309302	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+Cl"	34.969402
"1281989"	358.082702	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Cl"	34.969402
"24544"	683.175206	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M-2H+K"	36.948606
"463014"	1006.288506	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M-2H+K"	36.948606
"841908"	360.061906	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-2H+K"	36.948606
"1567578"	360.061906	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+K-2H"	36.948606
"955462"	368.111494	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-H+HCOOH"	44.998194
"371491"	691.224801	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+HCOOH-H"	44.998201
"358654"	705.240451	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+Hac-H"	59.013851
"1498741"	382.127151	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Hac-H"	59.013851
"967375"	390.093451	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-H+NaCOOH"	66.980151
"111908"	358.082702	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+2Cl"	69.938804
"551224"	519.639352	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+2Cl"	69.938804
"1022452"	196.526052	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2Cl"	69.938804
"1243125"	402.032185	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Br"	78.918885
"1305210"	404.088172	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Cl+HCOOH"	80.974872
"1320885"	426.070129	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Cl+NaCOOH"	102.956829
"921785"	436.098886	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M-H+CF3COOH"	112.985586
"1292297"	472.075564	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Cl+CF3COOH"	148.962264
"1376655"	288.100624	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H-2H2O"	-35.012676
"1393060"	306.1106	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H-H2O"	-17.0027
"289468"	647.233876	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+H"	1.007276
"680792"	970.347176	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+H"	1.007276
"1357142"	324.120576	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H"	1.007276
"128937"	324.120576	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+2H"	2.014552
"566550"	485.677226	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+2H"	2.014552
"1044955"	162.563926	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2H"	2.014552
"216140"	216.416142666667	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+3H"	3.021828
"655702"	324.120576	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+3H"	3.021828
"1173827"	108.711709333333	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+3H"	3.021828
"439048"	664.260423	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+NH4"	18.033823
"799798"	987.373723	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+NH4"	18.033823
"1695033"	341.147123	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+NH4"	18.033823
"341609"	332.6338495	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+H+NH4"	19.041099
"732937"	494.1904995	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+H+NH4"	19.041099
"1490645"	171.0771995	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H+NH4"	19.041099
"401065"	669.215818	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+Na"	22.989218
"763153"	992.329118	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+Na"	22.989218
"1609067"	346.102518	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Na"	22.989218
"322385"	335.111547	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+H+Na"	23.996494
"720884"	496.668197	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+H+Na"	23.996494
"1474095"	173.554897	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H+Na"	23.996494
"1065155"	116.039023333333	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2H+Na"	25.00377
"1269022"	356.146786	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+CH3OH+H"	33.033486
"386505"	685.189758	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+K"	38.963158
"748594"	1008.303058	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+K"	38.963158
"1547361"	362.076458	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+K"	38.963158
"305631"	343.098517	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+H+K"	39.970434
"699148"	504.655167	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+H+K"	39.970434
"1458073"	181.541867	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H+K"	39.970434
"247035"	688.260426	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+ACN+H"	42.033826
"1218651"	365.147126	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+ACN+H"	42.033826
"1198160"	183.077201	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+ACN+2H"	43.041102
"191394"	691.19776	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+2Na-H"	44.97116
"630956"	1014.31106	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+2Na-H"	44.97116
"1139565"	368.08446	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2Na-H"	44.97116
"178481"	346.102518	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+2Na"	45.978436
"614760"	507.659168	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+2Na"	45.978436
"1116118"	184.545868	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2Na"	45.978436
"1398916"	123.366337333333	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H+2Na"	46.985712
"1430503"	370.126046	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H+HCOOH"	47.012746
"221412"	351.13554	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+3H2O+2H"	56.04448
"1508544"	384.17809	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+IsoProp+H"	61.06479
"412819"	354.089488	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+Na+K"	61.952376
"773085"	515.646138	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+Na+K"	61.952376
"1670874"	192.532838	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Na+K"	61.952376
"251559"	710.242368	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+ACN+Na"	64.015768
"1227186"	387.129068	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+ACN+Na"	64.015768
"1723368"	387.152593	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+NH4+HCOOH"	64.039293
"1190909"	130.693651333333	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+3Na"	68.967654
"1662988"	392.107988	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Na+HCOOH"	68.994688
"171915"	723.14564	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+2K-H"	76.91904
"612091"	1046.25894	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+2K-H"	76.91904
"1096111"	400.03234	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2K-H"	76.91904
"148556"	362.076458	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"2M+2K"	77.926316
"587019"	523.633108	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"3M+2K"	77.926316
"1074812"	200.519808	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2K"	77.926316
"1104742"	402.046892	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2K+H"	78.933592
"1343316"	402.134507	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+DMSO+H"	79.021207
"1009657"	406.173676	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2ACN+H"	83.060376
"1531066"	407.167308	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+IsoProp+Na+H"	84.054008
"995332"	203.590476	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+2ACN+2H"	84.067652
"1594211"	408.081928	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+K+HCOOH"	84.968628
"1424246"	438.113438	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+H+CF3COOH"	115.000138
"1158908"	224.103751	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+3ACN+2H"	125.094202
"1706271"	455.139985	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+NH4+CF3COOH"	132.026685
"1638640"	460.09538	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+Na+CF3COOH"	136.98208
"1581947"	476.06932	"C18502"	"Flutolanil"	"C17H16F3NO2"	"323.1133"	"M+K+CF3COOH"	152.95602
"802591"	333.1244	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M"	0
"985845"	314.10601	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-H2O-H"	-19.01839
"72994"	221.075657333333	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M-3H"	-3.021828
"509274"	332.117124	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M-3H"	-3.021828
"888168"	110.034190666667	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-3H"	-3.021828
"12213"	332.117124	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M-2H"	-2.014552
"451773"	498.679324	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M-2H"	-2.014552
"827388"	165.554924	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-2H"	-2.014552
"84105"	665.241524	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M-H"	-1.007276
"523665"	998.365924	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M-H"	-1.007276
"895957"	332.117124	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-H"	-1.007276
"49651"	682.268071	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M-2H+NH4"	16.019271
"488234"	1015.392471	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M-2H+NH4"	16.019271
"867742"	349.143671	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-2H+NH4"	16.019271
"44772"	687.223466	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M-2H+Na"	20.974666
"483965"	1020.347866	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M-2H+Na"	20.974666
"861770"	354.099066	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-2H+Na"	20.974666
"1630205"	354.099066	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Na-2H"	20.974666
"109045"	350.105463	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M-H+Cl"	33.962126
"546295"	516.667663	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M-H+Cl"	33.962126
"939687"	183.543263	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-H+Cl"	33.962126
"280310"	701.218202	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+Cl"	34.969402
"673584"	1034.342602	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+Cl"	34.969402
"1283191"	368.093802	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Cl"	34.969402
"26841"	703.197406	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M-2H+K"	36.948606
"466403"	1036.321806	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M-2H+K"	36.948606
"845296"	370.073006	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-2H+K"	36.948606
"1568781"	370.073006	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+K-2H"	36.948606
"955571"	378.122594	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-H+HCOOH"	44.998194
"372694"	711.247001	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+HCOOH-H"	44.998201
"357308"	725.262651	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+Hac-H"	59.013851
"1495571"	392.138251	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Hac-H"	59.013851
"960560"	400.104551	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-H+NaCOOH"	66.980151
"111650"	368.093802	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+2Cl"	69.938804
"550846"	534.656002	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+2Cl"	69.938804
"1023653"	201.531602	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2Cl"	69.938804
"1242138"	412.043285	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Br"	78.918885
"1304344"	414.099272	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Cl+HCOOH"	80.974872
"1320262"	436.081229	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Cl+NaCOOH"	102.956829
"919708"	446.109986	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M-H+CF3COOH"	112.985586
"1289489"	482.086664	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Cl+CF3COOH"	148.962264
"1371297"	298.111724	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H-2H2O"	-35.012676
"1389889"	316.1217	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H-H2O"	-17.0027
"290669"	667.256076	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+H"	1.007276
"677622"	1000.380476	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+H"	1.007276
"1358345"	334.131676	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H"	1.007276
"126365"	334.131676	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+2H"	2.014552
"565745"	500.693876	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+2H"	2.014552
"1047251"	167.569476	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2H"	2.014552
"216250"	223.090209333333	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+3H"	3.021828
"652532"	334.131676	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+3H"	3.021828
"1171750"	112.048742666667	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+3H"	3.021828
"435023"	684.282623	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+NH4"	18.033823
"800272"	1017.407023	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+NH4"	18.033823
"1694535"	351.158223	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+NH4"	18.033823
"342811"	342.6449495	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+H+NH4"	19.041099
"735599"	509.2071495	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+H+NH4"	19.041099
"1491606"	176.0827495	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H+NH4"	19.041099
"400083"	689.238018	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+Na"	22.989218
"765451"	1022.362418	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+Na"	22.989218
"1612457"	356.113618	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Na"	22.989218
"325775"	345.122647	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+H+Na"	23.996494
"721358"	511.684847	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+H+Na"	23.996494
"1473840"	178.560447	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H+Na"	23.996494
"1064171"	119.376056666667	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2H+Na"	25.00377
"1269131"	366.157886	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+CH3OH+H"	33.033486
"385520"	705.211958	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+K"	38.963158
"751619"	1038.336358	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+K"	38.963158
"1549658"	372.087558	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+K"	38.963158
"309022"	353.109617	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+H+K"	39.970434
"703629"	519.671817	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+H+K"	39.970434
"1458912"	186.547417	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H+K"	39.970434
"244958"	708.282626	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+ACN+H"	42.033826
"1222038"	375.158226	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+ACN+H"	42.033826
"1200456"	188.082751	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+ACN+2H"	43.041102
"192232"	711.21996	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+2Na-H"	44.97116
"630701"	1044.34436	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+2Na-H"	44.97116
"1136395"	378.09556	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2Na-H"	44.97116
"178591"	356.113618	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+2Na"	45.978436
"613899"	522.675818	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+2Na"	45.978436
"1115754"	189.551418	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2Na"	45.978436
"1399837"	126.703370666667	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H+2Na"	46.985712
"1430857"	380.137146	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H+HCOOH"	47.012746
"223708"	361.14664	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+3H2O+2H"	56.04448
"1511779"	394.18919	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+IsoProp+H"	61.06479
"412565"	364.100588	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+Na+K"	61.952376
"773560"	530.662788	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+Na+K"	61.952376
"1670984"	197.538388	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Na+K"	61.952376
"253128"	730.264568	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+ACN+Na"	64.015768
"1231305"	397.140168	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+ACN+Na"	64.015768
"1723478"	397.163693	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+NH4+HCOOH"	64.039293
"1191019"	134.030684666667	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+3Na"	68.967654
"1664191"	402.119088	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Na+HCOOH"	68.994688
"171053"	743.16784	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+2K-H"	76.91904
"612403"	1076.29224	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+2K-H"	76.91904
"1099019"	410.04344	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2K-H"	76.91904
"148666"	372.087558	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"2M+2K"	77.926316
"587130"	538.649758	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"3M+2K"	77.926316
"1080389"	205.525358	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2K"	77.926316
"1104851"	412.057992	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2K+H"	78.933592
"1337958"	412.145607	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+DMSO+H"	79.021207
"1009767"	416.184776	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2ACN+H"	83.060376
"1527895"	417.178408	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+IsoProp+Na+H"	84.054008
"995441"	208.596026	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+2ACN+2H"	84.067652
"1596509"	418.093028	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+K+HCOOH"	84.968628
"1425449"	448.124538	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+H+CF3COOH"	115.000138
"1159018"	229.109301	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+3ACN+2H"	125.094202
"1706381"	465.151085	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+NH4+CF3COOH"	132.026685
"1637657"	470.10648	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+Na+CF3COOH"	136.98208
"1582057"	486.08042	"C18503"	"Furametpyr"	"C17H20ClN3O2"	"333.1244"	"M+K+CF3COOH"	152.95602
"809141"	332.1736	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M"	0
"982675"	313.15521	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-H2O-H"	-19.01839
"70916"	220.441790666667	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M-3H"	-3.021828
"511572"	331.166324	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M-3H"	-3.021828
"889373"	109.717257333333	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-3H"	-3.021828
"7950"	331.166324	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M-2H"	-2.014552
"447510"	497.253124	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M-2H"	-2.014552
"827499"	165.079524	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-2H"	-2.014552
"83121"	663.339924	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M-H"	-1.007276
"522682"	995.513524	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M-H"	-1.007276
"895789"	331.166324	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-H"	-1.007276
"48666"	680.366471	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M-2H+NH4"	16.019271
"487370"	1012.540071	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M-2H+NH4"	16.019271
"866757"	348.192871	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-2H+NH4"	16.019271
"44400"	685.321866	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M-2H+Na"	20.974666
"484808"	1017.495466	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M-2H+Na"	20.974666
"861151"	353.148266	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-2H+Na"	20.974666
"1631412"	353.148266	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Na-2H"	20.974666
"108795"	349.154663	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M-H+Cl"	33.962126
"546402"	515.241463	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M-H+Cl"	33.962126
"941378"	183.067863	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-H+Cl"	33.962126
"282248"	699.316602	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+Cl"	34.969402
"674427"	1031.490202	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+Cl"	34.969402
"1286581"	367.143002	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Cl"	34.969402
"29137"	701.295806	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M-2H+K"	36.948606
"470640"	1033.469406	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M-2H+K"	36.948606
"845405"	369.122206	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-2H+K"	36.948606
"1565611"	369.122206	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+K-2H"	36.948606
"950214"	377.171794	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-H+HCOOH"	44.998194
"369523"	709.345401	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+HCOOH-H"	44.998201
"357782"	723.361051	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+Hac-H"	59.013851
"1493734"	391.187451	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Hac-H"	59.013851
"959940"	399.153751	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-H+NaCOOH"	66.980151
"111397"	367.143002	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+2Cl"	69.938804
"550592"	533.229802	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+2Cl"	69.938804
"1022064"	201.056202	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2Cl"	69.938804
"1242614"	411.092485	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Br"	78.918885
"1305185"	413.148472	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Cl+HCOOH"	80.974872
"1320735"	435.130429	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Cl+NaCOOH"	102.956829
"916538"	445.159186	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M-H+CF3COOH"	112.985586
"1291424"	481.135864	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Cl+CF3COOH"	148.962264
"1373595"	297.160924	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H-2H2O"	-35.012676
"1389999"	315.1709	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H-H2O"	-17.0027
"287499"	665.354476	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+H"	1.007276
"687574"	997.528076	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+H"	1.007276
"1359549"	333.180876	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H"	1.007276
"130251"	333.180876	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+2H"	2.014552
"567986"	499.267676	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+2H"	2.014552
"1046270"	167.094076	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2H"	2.014552
"216361"	222.456342666667	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+3H"	3.021828
"654826"	333.180876	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+3H"	3.021828
"1172954"	111.731809333333	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+3H"	3.021828
"431852"	682.381023	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+NH4"	18.033823
"793941"	1014.554623	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+NH4"	18.033823
"1691364"	350.207423	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+NH4"	18.033823
"340738"	341.6941495	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+H+NH4"	19.041099
"735346"	507.7809495	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+H+NH4"	19.041099
"1492328"	175.6073495	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H+NH4"	19.041099
"404568"	687.336418	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+Na"	22.989218
"762281"	1019.510018	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+Na"	22.989218
"1613662"	355.162818	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Na"	22.989218
"324793"	344.171847	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+H+Na"	23.996494
"716121"	510.258647	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+H+Na"	23.996494
"1465568"	178.085047	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H+Na"	23.996494
"1058815"	119.059123333333	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2H+Na"	25.00377
"1264866"	365.207086	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+CH3OH+H"	33.033486
"386721"	703.310358	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+K"	38.963158
"747717"	1035.483958	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+K"	38.963158
"1548673"	371.136758	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+K"	38.963158
"308035"	352.158817	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+H+K"	39.970434
"701550"	518.245617	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+H+K"	39.970434
"1453188"	186.072017	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H+K"	39.970434
"242880"	706.381026	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+ACN+H"	42.033826
"1212673"	374.207426	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+ACN+H"	42.033826
"1195826"	187.607351	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+ACN+2H"	43.041102
"191247"	709.31836	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+2Na-H"	44.97116
"629957"	1041.49196	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+2Na-H"	44.97116
"1132610"	377.14476	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2Na-H"	44.97116
"173836"	355.162818	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+2Na"	45.978436
"613518"	521.249618	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+2Na"	45.978436
"1116173"	189.076018	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2Na"	45.978436
"1402014"	126.386437333333	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H+2Na"	46.985712
"1430239"	379.186346	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H+HCOOH"	47.012746
"223828"	360.19584	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+3H2O+2H"	56.04448
"1518456"	393.23839	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+IsoProp+H"	61.06479
"417050"	363.149788	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+Na+K"	61.952376
"779139"	529.236588	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+Na+K"	61.952376
"1674377"	197.062988	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Na+K"	61.952376
"260900"	728.362968	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+ACN+Na"	64.015768
"1233608"	396.189368	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+ACN+Na"	64.015768
"1725777"	396.212893	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+NH4+HCOOH"	64.039293
"1192225"	133.713751333333	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+3Na"	68.967654
"1663210"	401.168288	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Na+HCOOH"	68.994688
"163509"	741.26624	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+2K-H"	76.91904
"611456"	1073.43984	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+2K-H"	76.91904
"1097427"	409.09264	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2K-H"	76.91904
"153152"	371.136758	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"2M+2K"	77.926316
"590522"	537.223558	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"3M+2K"	77.926316
"1072846"	205.049958	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2K"	77.926316
"1104963"	411.107192	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2K+H"	78.933592
"1338070"	411.194807	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+DMSO+H"	79.021207
"1013159"	415.233976	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2ACN+H"	83.060376
"1526912"	416.227608	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+IsoProp+Na+H"	84.054008
"992269"	208.120626	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+2ACN+2H"	84.067652
"1592240"	417.142228	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+K+HCOOH"	84.968628
"1418996"	447.173738	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+H+CF3COOH"	115.000138
"1152565"	228.633901	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+3ACN+2H"	125.094202
"1703208"	464.200285	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+NH4+CF3COOH"	132.026685
"1636672"	469.15568	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+Na+CF3COOH"	136.98208
"1582167"	485.12962	"C18504"	"Isoxaben"	"C18H24N2O4"	"332.1736"	"M+K+CF3COOH"	152.95602
"805970"	525.8421	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M"	0
"982785"	506.82371	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-H2O-H"	-19.01839
"68840"	349.554124	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M-3H"	-3.021828
"510589"	524.834824	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M-3H"	-3.021828
"891669"	174.273424	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-3H"	-3.021828
"9154"	524.834824	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M-2H"	-2.014552
"453088"	787.755874	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M-2H"	-2.014552
"831983"	261.913774	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-2H"	-2.014552
"82138"	1050.676924	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M-H"	-1.007276
"523884"	1576.519024	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M-H"	-1.007276
"896210"	524.834824	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-H"	-1.007276
"49129"	1067.703471	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M-2H+NH4"	16.019271
"489416"	1593.545571	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M-2H+NH4"	16.019271
"865159"	541.861371	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-2H+NH4"	16.019271
"46498"	1072.658866	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M-2H+Na"	20.974666
"485771"	1598.500966	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M-2H+Na"	20.974666
"860895"	546.816766	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-2H+Na"	20.974666
"1632129"	546.816766	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Na-2H"	20.974666
"109470"	542.823163	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M-H+Cl"	33.962126
"547605"	805.744213	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M-H+Cl"	33.962126
"942627"	279.902113	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-H+Cl"	33.962126
"281380"	1086.653602	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+Cl"	34.969402
"674903"	1612.495702	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+Cl"	34.969402
"1285598"	560.811502	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Cl"	34.969402
"29976"	1088.632806	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M-2H+K"	36.948606
"470628"	1614.474906	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M-2H+K"	36.948606
"847339"	562.790706	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-2H+K"	36.948606
"1568273"	562.790706	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+K-2H"	36.948606
"951417"	570.840294	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-H+HCOOH"	44.998194
"369269"	1096.682401	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+HCOOH-H"	44.998201
"357893"	1110.698051	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+Hac-H"	59.013851
"1493600"	584.855951	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Hac-H"	59.013851
"961146"	592.822251	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-H+NaCOOH"	66.980151
"111019"	560.811502	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+2Cl"	69.938804
"550457"	823.732552	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+2Cl"	69.938804
"1022538"	297.890452	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2Cl"	69.938804
"1242723"	604.760985	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Br"	78.918885
"1305293"	606.816972	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Cl+HCOOH"	80.974872
"1320849"	628.798929	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Cl+NaCOOH"	102.956829
"914460"	638.827686	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M-H+CF3COOH"	112.985586
"1292265"	674.804364	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Cl+CF3COOH"	148.962264
"1373705"	490.829424	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H-2H2O"	-35.012676
"1386829"	508.8394	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H-H2O"	-17.0027
"290888"	1052.691476	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+H"	1.007276
"681123"	1578.533576	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+H"	1.007276
"1355649"	526.849376	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H"	1.007276
"129631"	526.849376	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+2H"	2.014552
"566637"	789.770426	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+2H"	2.014552
"1042001"	263.928326	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2H"	2.014552
"216471"	351.568676	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+3H"	3.021828
"656032"	526.849376	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+3H"	3.021828
"1175251"	176.287976	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+3H"	3.021828
"436336"	1069.718023	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+NH4"	18.033823
"796237"	1595.560123	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+NH4"	18.033823
"1693660"	543.875923	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+NH4"	18.033823
"341939"	535.3626495	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+H+NH4"	19.041099
"734362"	798.2836995	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+H+NH4"	19.041099
"1492438"	272.4415995	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H+NH4"	19.041099
"399207"	1074.673418	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+Na"	22.989218
"759107"	1600.515518	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+Na"	22.989218
"1612678"	548.831318	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Na"	22.989218
"322716"	537.840347	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+H+Na"	23.996494
"717325"	800.761397	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+H+Na"	23.996494
"1471145"	274.919297	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H+Na"	23.996494
"1060019"	183.61529	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2H+Na"	25.00377
"1263885"	558.875586	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+CH3OH+H"	33.033486
"384646"	1090.647358	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+K"	38.963158
"747828"	1616.489458	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+K"	38.963158
"1545504"	564.805258	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+K"	38.963158
"308145"	545.827317	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+H+K"	39.970434
"700567"	808.748367	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+H+K"	39.970434
"1450016"	282.906267	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H+K"	39.970434
"239710"	1093.718026	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+ACN+H"	42.033826
"1213515"	567.875926	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+ACN+H"	42.033826
"1195936"	284.441601	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+ACN+2H"	43.041102
"189291"	1096.65536	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+2Na-H"	44.97116
"630067"	1622.49746	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+2Na-H"	44.97116
"1132481"	570.81326	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2Na-H"	44.97116
"173946"	548.831318	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+2Na"	45.978436
"613388"	811.752368	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+2Na"	45.978436
"1116240"	285.910268	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2Na"	45.978436
"1399323"	190.942604	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H+2Na"	46.985712
"1430589"	572.854846	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H+HCOOH"	47.012746
"225030"	553.86434	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+3H2O+2H"	56.04448
"1515286"	586.90689	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+IsoProp+H"	61.06479
"417160"	556.818288	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+Na+K"	61.952376
"779249"	819.739338	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+Na+K"	61.952376
"1674486"	293.897238	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Na+K"	61.952376
"261006"	1115.699968	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+ACN+Na"	64.015768
"1234811"	589.857868	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+ACN+Na"	64.015768
"1725886"	589.881393	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+NH4+HCOOH"	64.039293
"1193792"	198.269918	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+3Na"	68.967654
"1663320"	594.836788	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Na+HCOOH"	68.994688
"165806"	1128.60324	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+2K-H"	76.91904
"611809"	1654.44534	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+2K-H"	76.91904
"1096444"	602.76114	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2K-H"	76.91904
"154353"	564.805258	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"2M+2K"	77.926316
"593912"	827.726308	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"3M+2K"	77.926316
"1074413"	301.884208	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2K"	77.926316
"1102886"	604.775692	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2K+H"	78.933592
"1338180"	604.863307	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+DMSO+H"	79.021207
"1013269"	608.902476	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2ACN+H"	83.060376
"1530302"	609.896108	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+IsoProp+Na+H"	84.054008
"993472"	304.954876	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+2ACN+2H"	84.067652
"1587609"	610.810728	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+K+HCOOH"	84.968628
"1420199"	640.842238	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+H+CF3COOH"	115.000138
"1152674"	325.468151	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+3ACN+2H"	125.094202
"1700038"	657.868785	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+NH4+CF3COOH"	132.026685
"1634278"	662.82418	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+Na+CF3COOH"	136.98208
"1582277"	678.79812	"C18505"	"Thifluzamide"	"C13H6Br2F6N2O2S"	"525.8421"	"M+K+CF3COOH"	152.95602
"809362"	286.1569	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M"	0
"988365"	267.13851	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-H2O-H"	-19.01839
"77989"	189.763990666667	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M-3H"	-3.021828
"515074"	285.149624	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M-3H"	-3.021828
"890690"	94.3783573333333	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-3H"	-3.021828
"14732"	285.149624	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M-2H"	-2.014552
"453199"	428.228074	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M-2H"	-2.014552
"829907"	142.071174	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-2H"	-2.014552
"89903"	571.306524	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M-H"	-1.007276
"526183"	857.463424	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M-H"	-1.007276
"896817"	285.149624	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-H"	-1.007276
"48277"	588.333071	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M-2H+NH4"	16.019271
"488198"	874.489971	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M-2H+NH4"	16.019271
"864784"	302.176171	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-2H+NH4"	16.019271
"46651"	593.288466	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M-2H+Na"	20.974666
"486496"	879.445366	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M-2H+Na"	20.974666
"863440"	307.131566	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-2H+Na"	20.974666
"1631630"	307.131566	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Na-2H"	20.974666
"109500"	303.137963	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M-H+Cl"	33.962126
"547722"	446.216413	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M-H+Cl"	33.962126
"941235"	160.059513	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-H+Cl"	33.962126
"279791"	607.283202	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+Cl"	34.969402
"675132"	893.440102	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+Cl"	34.969402
"1285711"	321.126302	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Cl"	34.969402
"21705"	609.262406	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M-2H+K"	36.948606
"463452"	895.419306	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M-2H+K"	36.948606
"846723"	323.105506	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-2H+K"	36.948606
"1569847"	323.105506	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+K-2H"	36.948606
"955538"	331.155094	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-H+HCOOH"	44.998194
"374121"	617.312001	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+HCOOH-H"	44.998201
"356911"	631.327651	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+Hac-H"	59.013851
"1493588"	345.170751	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Hac-H"	59.013851
"959431"	353.137051	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-H+NaCOOH"	66.980151
"111131"	321.126302	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+2Cl"	69.938804
"551915"	464.204752	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+2Cl"	69.938804
"1022648"	178.047852	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2Cl"	69.938804
"1241822"	365.075785	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Br"	78.918885
"1304797"	367.131772	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Cl+HCOOH"	80.974872
"1322052"	389.113729	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Cl+NaCOOH"	102.956829
"913113"	399.142486	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M-H+CF3COOH"	112.985586
"1300393"	435.119164	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Cl+CF3COOH"	148.962264
"1377096"	251.144224	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H-2H2O"	-35.012676
"1390219"	269.1542	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H-H2O"	-17.0027
"293187"	573.321076	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+H"	1.007276
"683422"	859.477976	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+H"	1.007276
"1361957"	287.164176	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H"	1.007276
"131566"	287.164176	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+2H"	2.014552
"574407"	430.242626	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+2H"	2.014552
"1047582"	144.085726	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2H"	2.014552
"219136"	191.778542666667	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+3H"	3.021828
"656143"	287.164176	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+3H"	3.021828
"1176092"	96.3929093333333	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+3H"	3.021828
"437905"	590.347623	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+NH4"	18.033823
"799627"	876.504523	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+NH4"	18.033823
"1693772"	304.190723	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+NH4"	18.033823
"343143"	295.6774495	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+H+NH4"	19.041099
"736295"	438.7558995	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+H+NH4"	19.041099
"1491571"	152.5989995	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H+NH4"	19.041099
"407947"	595.303018	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+Na"	22.989218
"766876"	881.459918	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+Na"	22.989218
"1612793"	309.146118	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Na"	22.989218
"322830"	298.155147	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+H+Na"	23.996494
"717437"	441.233597	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+H+Na"	23.996494
"1469072"	155.076697	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H+Na"	23.996494
"1057940"	103.720223333333	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2H+Na"	25.00377
"1259254"	319.190386	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+CH3OH+H"	33.033486
"381472"	611.276958	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+K"	38.963158
"743563"	897.433858	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+K"	38.963158
"1546709"	325.120058	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+K"	38.963158
"307165"	306.142117	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+H+K"	39.970434
"697399"	449.220567	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+H+K"	39.970434
"1451219"	163.063667	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H+K"	39.970434
"242009"	614.347626	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+ACN+H"	42.033826
"1214717"	328.190726	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+ACN+H"	42.033826
"1195443"	164.599001	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+ACN+2H"	43.041102
"189407"	617.28496	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+2Na-H"	44.97116
"629089"	903.44186	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+2Na-H"	44.97116
"1136727"	331.12806	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2Na-H"	44.97116
"173048"	309.146118	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+2Na"	45.978436
"613006"	452.224568	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+2Na"	45.978436
"1115637"	166.067668	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2Na"	45.978436
"1400046"	111.047537333333	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H+2Na"	46.985712
"1430579"	333.169646	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H+HCOOH"	47.012746
"224047"	314.17914	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+3H2O+2H"	56.04448
"1513210"	347.22169	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+IsoProp+H"	61.06479
"420550"	317.133088	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+Na+K"	61.952376
"778268"	460.211538	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+Na+K"	61.952376
"1676785"	174.054638	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Na+K"	61.952376
"262213"	636.329568	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+ACN+Na"	64.015768
"1237107"	350.172668	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+ACN+Na"	64.015768
"1725996"	350.196193	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+NH4+HCOOH"	64.039293
"1191350"	118.374851333333	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+3Na"	68.967654
"1665092"	355.151588	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Na+HCOOH"	68.994688
"167009"	649.23284	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+2K-H"	76.91904
"608759"	935.38974	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+2K-H"	76.91904
"1098739"	363.07594	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2K-H"	76.91904
"153367"	325.120058	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"2M+2K"	77.926316
"585274"	468.198508	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"3M+2K"	77.926316
"1071972"	182.041608	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2K"	77.926316
"1103724"	365.090492	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2K+H"	78.933592
"1341572"	365.178107	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+DMSO+H"	79.021207
"1011194"	369.217276	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2ACN+H"	83.060376
"1529320"	370.210908	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+IsoProp+Na+H"	84.054008
"995768"	185.112276	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+2ACN+2H"	84.067652
"1591371"	371.125528	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+K+HCOOH"	84.968628
"1421403"	401.157038	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+H+CF3COOH"	115.000138
"1159347"	205.625551	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+3ACN+2H"	125.094202
"1706710"	418.183585	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+NH4+CF3COOH"	132.026685
"1637987"	423.13898	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+Na+CF3COOH"	136.98208
"1582387"	439.11292	"C18506"	"Furamethrin"	"C18H22O3"	"286.1569"	"M+K+CF3COOH"	152.95602
"806190"	222.0672	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M"	0
"983005"	203.04881	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-H2O-H"	-19.01839
"71247"	147.037524	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M-3H"	-3.021828
"514090"	221.059924	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M-3H"	-3.021828
"886425"	73.015124	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-3H"	-3.021828
"8281"	221.059924	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M-2H"	-2.014552
"452215"	332.093524	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M-2H"	-2.014552
"828923"	110.026324	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-2H"	-2.014552
"88920"	443.127124	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M-H"	-1.007276
"525201"	665.194324	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M-H"	-1.007276
"898629"	221.059924	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-H"	-1.007276
"47538"	460.153671	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M-2H+NH4"	16.019271
"487254"	682.220871	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M-2H+NH4"	16.019271
"864485"	238.086471	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-2H+NH4"	16.019271
"47063"	465.109066	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M-2H+Na"	20.974666
"485498"	687.176266	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M-2H+Na"	20.974666
"863993"	243.041866	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-2H+Na"	20.974666
"1630646"	243.041866	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Na-2H"	20.974666
"108268"	239.048263	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M-H+Cl"	33.962126
"548559"	350.081863	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M-H+Cl"	33.962126
"939155"	128.014663	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-H+Cl"	33.962126
"280993"	479.103802	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+Cl"	34.969402
"674872"	701.171002	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+Cl"	34.969402
"1283630"	257.036602	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Cl"	34.969402
"28375"	481.083006	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M-2H+K"	36.948606
"467935"	703.150206	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M-2H+K"	36.948606
"845374"	259.015806	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-2H+K"	36.948606
"1570320"	259.015806	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+K-2H"	36.948606
"957106"	267.065394	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-H+HCOOH"	44.998194
"376296"	489.132601	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+HCOOH-H"	44.998201
"360301"	503.148251	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+Hac-H"	59.013851
"1499295"	281.081051	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Hac-H"	59.013851
"959057"	289.047351	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-H+NaCOOH"	66.980151
"111490"	257.036602	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+2Cl"	69.938804
"555305"	368.070202	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+2Cl"	69.938804
"1021468"	146.003002	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2Cl"	69.938804
"1242216"	300.986085	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Br"	78.918885
"1304271"	303.042072	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Cl+HCOOH"	80.974872
"1322526"	325.024029	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Cl+NaCOOH"	102.956829
"912860"	335.052786	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M-H+CF3COOH"	112.985586
"1297951"	371.029464	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Cl+CF3COOH"	148.962264
"1373926"	187.054524	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H-2H2O"	-35.012676
"1393609"	205.0645	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H-H2O"	-17.0027
"293297"	445.141676	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+H"	1.007276
"683532"	667.208876	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+H"	1.007276
"1362067"	223.074476	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H"	1.007276
"131676"	223.074476	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+2H"	2.014552
"574517"	334.108076	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+2H"	2.014552
"1048785"	112.040876	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2H"	2.014552
"219366"	149.052076	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+3H"	3.021828
"656982"	223.074476	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+3H"	3.021828
"1177293"	75.029676	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+3H"	3.021828
"437649"	462.168223	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+NH4"	18.033823
"798644"	684.235423	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+NH4"	18.033823
"1694977"	240.101023	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+NH4"	18.033823
"341067"	231.5877495	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+H+NH4"	19.041099
"735312"	342.6213495	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+H+NH4"	19.041099
"1490954"	120.5541495	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H+NH4"	19.041099
"400521"	467.123618	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+Na"	22.989218
"766986"	689.190818	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+Na"	22.989218
"1610716"	245.056418	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Na"	22.989218
"322940"	234.065447	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+H+Na"	23.996494
"713175"	345.099047	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+H+Na"	23.996494
"1468087"	123.031847	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H+Na"	23.996494
"1055498"	82.35699	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2H+Na"	25.00377
"1259729"	255.100686	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+CH3OH+H"	33.033486
"381585"	483.097558	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+K"	38.963158
"745861"	705.164758	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+K"	38.963158
"1546819"	261.030358	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+K"	38.963158
"306181"	242.052417	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+H+K"	39.970434
"699696"	353.086017	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+H+K"	39.970434
"1451330"	131.018817	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H+K"	39.970434
"242119"	486.168226	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+ACN+H"	42.033826
"1214827"	264.101026	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+ACN+H"	42.033826
"1194459"	132.554151	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+ACN+2H"	43.041102
"189396"	489.10556	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+2Na-H"	44.97116
"628552"	711.17276	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+2Na-H"	44.97116
"1132464"	267.03836	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2Na-H"	44.97116
"172987"	245.056418	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+2Na"	45.978436
"612997"	356.090018	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+2Na"	45.978436
"1115714"	134.022818	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2Na"	45.978436
"1398484"	89.684304	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H+2Na"	46.985712
"1429919"	269.079946	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H+HCOOH"	47.012746
"221604"	250.08944	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+3H2O+2H"	56.04448
"1518787"	283.13199	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+IsoProp+H"	61.06479
"417380"	253.043388	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+Na+K"	61.952376
"778377"	364.076988	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+Na+K"	61.952376
"1675801"	142.009788	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Na+K"	61.952376
"262320"	508.150168	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+ACN+Na"	64.015768
"1232842"	286.082968	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+ACN+Na"	64.015768
"1721727"	286.106493	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+NH4+HCOOH"	64.039293
"1188175"	97.011618	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+3Na"	68.967654
"1660259"	291.061888	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Na+HCOOH"	68.994688
"166024"	521.05344	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+2K-H"	76.91904
"607776"	743.12064	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+2K-H"	76.91904
"1092289"	298.98624	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2K-H"	76.91904
"152384"	261.030358	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"2M+2K"	77.926316
"586112"	372.063958	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"3M+2K"	77.926316
"1072082"	149.996758	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2K"	77.926316
"1104198"	301.000792	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2K+H"	78.933592
"1344963"	301.088407	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+DMSO+H"	79.021207
"1010211"	305.127576	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2ACN+H"	83.060376
"1529430"	306.121208	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+IsoProp+Na+H"	84.054008
"994785"	153.067426	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+2ACN+2H"	84.067652
"1595854"	307.035828	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+K+HCOOH"	84.968628
"1421513"	337.067338	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+H+CF3COOH"	115.000138
"1159457"	173.580701	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+3ACN+2H"	125.094202
"1706820"	354.093885	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+NH4+CF3COOH"	132.026685
"1638097"	359.04928	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+Na+CF3COOH"	136.98208
"1582497"	375.02322	"C18507"	"Acetamiprid"	"C10H11ClN4"	"222.0672"	"M+K+CF3COOH"	152.95602
"811768"	249.0087	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M"	0
"985303"	229.99031	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-H2O-H"	-19.01839
"71357"	164.998524	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M-3H"	-3.021828
"514200"	248.001424	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M-3H"	-3.021828
"888723"	81.995624	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-3H"	-3.021828
"8391"	248.001424	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M-2H"	-2.014552
"451232"	372.505774	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M-2H"	-2.014552
"825753"	123.497074	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-2H"	-2.014552
"86845"	497.010124	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M-H"	-1.007276
"519235"	746.018824	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M-H"	-1.007276
"897647"	248.001424	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-H"	-1.007276
"52019"	514.036671	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M-2H+NH4"	16.019271
"487156"	763.045371	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M-2H+NH4"	16.019271
"864402"	265.027971	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-2H+NH4"	16.019271
"46785"	518.992066	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M-2H+Na"	20.974666
"483422"	768.000766	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M-2H+Na"	20.974666
"857942"	269.983366	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-2H+Na"	20.974666
"1625289"	269.983366	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Na-2H"	20.974666
"101817"	265.989763	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M-H+Cl"	33.962126
"546843"	390.494113	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M-H+Cl"	33.962126
"935985"	141.485413	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-H+Cl"	33.962126
"279644"	532.986802	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+Cl"	34.969402
"672430"	781.995502	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+Cl"	34.969402
"1283740"	283.978102	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Cl"	34.969402
"27392"	534.966006	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M-2H+K"	36.948606
"467681"	783.974706	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M-2H+K"	36.948606
"845848"	285.957306	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-2H+K"	36.948606
"1568973"	285.957306	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+K-2H"	36.948606
"956123"	294.006894	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-H+HCOOH"	44.998194
"375070"	543.015601	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+HCOOH-H"	44.998201
"358224"	557.031251	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+Hac-H"	59.013851
"1499405"	308.022551	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Hac-H"	59.013851
"958517"	315.988851	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-H+NaCOOH"	66.980151
"110506"	283.978102	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+2Cl"	69.938804
"555415"	408.482452	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+2Cl"	69.938804
"1021658"	159.473752	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2Cl"	69.938804
"1241961"	327.927585	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Br"	78.918885
"1304892"	329.983572	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Cl+HCOOH"	80.974872
"1321542"	351.965529	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Cl+NaCOOH"	102.956829
"912241"	361.994286	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M-H+CF3COOH"	112.985586
"1294781"	397.970964	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Cl+CF3COOH"	148.962264
"1371848"	213.996024	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H-2H2O"	-35.012676
"1393719"	232.006	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H-H2O"	-17.0027
"294500"	499.024676	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+H"	1.007276
"683642"	748.033376	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+H"	1.007276
"1358897"	250.015976	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H"	1.007276
"131786"	250.015976	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+2H"	2.014552
"574626"	374.520326	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+2H"	2.014552
"1048895"	125.511626	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2H"	2.014552
"218989"	167.013076	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+3H"	3.021828
"657456"	250.015976	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+3H"	3.021828
"1175946"	84.010176	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+3H"	3.021828
"434479"	516.051223	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+NH4"	18.033823
"796568"	765.059923	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+NH4"	18.033823
"1692899"	267.042523	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+NH4"	18.033823
"342270"	258.5292495	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+H+NH4"	19.041099
"735421"	383.0335995	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+H+NH4"	19.041099
"1492166"	134.0248995	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H+NH4"	19.041099
"399538"	521.006618	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+Na"	22.989218
"757614"	770.015318	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+Na"	22.989218
"1616290"	271.997918	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Na"	22.989218
"325233"	261.006947	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+H+Na"	23.996494
"717659"	385.511297	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+H+Na"	23.996494
"1466013"	136.502597	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H+Na"	23.996494
"1053421"	91.33749	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2H+Na"	25.00377
"1257774"	282.042186	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+CH3OH+H"	33.033486
"377237"	536.980558	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+K"	38.963158
"742691"	785.989258	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+K"	38.963158
"1544743"	287.971858	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+K"	38.963158
"304106"	268.993917	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+H+K"	39.970434
"696526"	393.498267	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+H+K"	39.970434
"1450347"	144.489567	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H+K"	39.970434
"240043"	540.051226	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+ACN+H"	42.033826
"1216031"	291.042526	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+ACN+H"	42.033826
"1194445"	146.024901	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+ACN+2H"	43.041102
"188939"	542.98856	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+2Na-H"	44.97116
"629066"	791.99726	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+2Na-H"	44.97116
"1132000"	293.97986	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2Na-H"	44.97116
"173547"	271.997918	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+2Na"	45.978436
"613356"	396.502268	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+2Na"	45.978436
"1116498"	147.493568	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2Na"	45.978436
"1399657"	98.664804	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H+2Na"	46.985712
"1430028"	296.021446	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H+HCOOH"	47.012746
"220981"	277.03094	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+3H2O+2H"	56.04448
"1513430"	310.07349	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+IsoProp+H"	61.06479
"417490"	279.984888	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+Na+K"	61.952376
"774113"	404.489238	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+Na+K"	61.952376
"1670443"	155.480538	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Na+K"	61.952376
"259150"	562.033168	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+ACN+Na"	64.015768
"1229672"	313.024468	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+ACN+Na"	64.015768
"1720744"	313.047993	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+NH4+HCOOH"	64.039293
"1188286"	105.992118	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+3Na"	68.967654
"1659276"	318.003388	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Na+HCOOH"	68.994688
"166134"	574.93644	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+2K-H"	76.91904
"611774"	823.94514	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+2K-H"	76.91904
"1093493"	325.92774	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2K-H"	76.91904
"154318"	287.971858	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"2M+2K"	77.926316
"586588"	412.476208	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"3M+2K"	77.926316
"1076565"	163.467508	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2K"	77.926316
"1104308"	327.942292	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2K+H"	78.933592
"1336442"	328.029907	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+DMSO+H"	79.021207
"1007282"	332.069076	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2ACN+H"	83.060376
"1526260"	333.062708	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+IsoProp+Na+H"	84.054008
"993802"	166.538176	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+2ACN+2H"	84.067652
"1594871"	333.977328	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+K+HCOOH"	84.968628
"1420530"	364.008838	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+H+CF3COOH"	115.000138
"1159566"	187.051451	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+3ACN+2H"	125.094202
"1706930"	381.035385	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+NH4+CF3COOH"	132.026685
"1638207"	385.99078	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+Na+CF3COOH"	136.98208
"1582607"	401.96472	"C18508"	"Clothianidin"	"C6H8ClN5O2S"	"249.0087"	"M+K+CF3COOH"	152.95602
"812971"	202.1066	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M"	0
"988693"	183.08821	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-H2O-H"	-19.01839
"69280"	133.730457333333	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M-3H"	-3.021828
"512124"	201.099324	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M-3H"	-3.021828
"888833"	66.3615906666667	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-3H"	-3.021828
"9594"	201.099324	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M-2H"	-2.014552
"451342"	302.152624	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M-2H"	-2.014552
"822583"	100.046024	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-2H"	-2.014552
"78971"	403.205924	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M-H"	-1.007276
"519955"	605.312524	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M-H"	-1.007276
"897757"	201.099324	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-H"	-1.007276
"52129"	420.232471	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M-2H+NH4"	16.019271
"487430"	622.339071	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M-2H+NH4"	16.019271
"864670"	218.125871	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-2H+NH4"	16.019271
"45066"	425.187866	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M-2H+Na"	20.974666
"485354"	627.294466	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M-2H+Na"	20.974666
"862062"	223.081266	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-2H+Na"	20.974666
"1628679"	223.081266	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Na-2H"	20.974666
"107395"	219.087663	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M-H+Cl"	33.962126
"544766"	320.140963	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M-H+Cl"	33.962126
"939376"	118.034363	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-H+Cl"	33.962126
"279025"	439.182602	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+Cl"	34.969402
"672540"	641.289202	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+Cl"	34.969402
"1282756"	237.076002	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Cl"	34.969402
"25313"	441.161806	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M-2H+K"	36.948606
"468885"	643.268406	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M-2H+K"	36.948606
"847174"	239.055206	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-2H+K"	36.948606
"1569203"	239.055206	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+K-2H"	36.948606
"952953"	247.104794	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-H+HCOOH"	44.998194
"376517"	449.211401	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+HCOOH-H"	44.998201
"357968"	463.227051	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+Hac-H"	59.013851
"1497328"	261.120451	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Hac-H"	59.013851
"963775"	269.086751	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-H+NaCOOH"	66.980151
"114870"	237.076002	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+2Cl"	69.938804
"554432"	338.129302	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+2Cl"	69.938804
"1023592"	136.022702	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2Cl"	69.938804
"1243532"	281.025485	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Br"	78.918885
"1304640"	283.081472	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Cl+HCOOH"	80.974872
"1320354"	305.063429	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Cl+NaCOOH"	102.956829
"913805"	315.092186	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M-H+CF3COOH"	112.985586
"1292338"	351.068864	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Cl+CF3COOH"	148.962264
"1374145"	167.093924	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H-2H2O"	-35.012676
"1388361"	185.1039	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H-H2O"	-17.0027
"290236"	405.220476	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+H"	1.007276
"681564"	607.327076	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+H"	1.007276
"1360100"	203.113876	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H"	1.007276
"132989"	203.113876	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+2H"	2.014552
"576923"	304.167176	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+2H"	2.014552
"1050098"	102.060576	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2H"	2.014552
"218004"	135.745009333333	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+3H"	3.021828
"659389"	203.113876	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+3H"	3.021828
"1176783"	68.3761426666667	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+3H"	3.021828
"438961"	422.247023	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+NH4"	18.033823
"798864"	624.353623	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+NH4"	18.033823
"1695194"	220.140423	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+NH4"	18.033823
"343472"	211.6271495	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+H+NH4"	19.041099
"737352"	312.6804495	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+H+NH4"	19.041099
"1492356"	110.5738495	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H+NH4"	19.041099
"400741"	427.202418	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+Na"	22.989218
"761734"	629.309018	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+Na"	22.989218
"1613119"	225.095818	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Na"	22.989218
"324249"	214.104847	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+H+Na"	23.996494
"717768"	315.158147	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+H+Na"	23.996494
"1468307"	113.051547	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H+Na"	23.996494
"1062647"	75.7034566666667	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2H+Na"	25.00377
"1258857"	235.140086	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+CH3OH+H"	33.033486
"378525"	443.176358	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+K"	38.963158
"743894"	645.282958	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+K"	38.963158
"1544853"	241.069758	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+K"	38.963158
"305309"	222.091817	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+H+K"	39.970434
"697730"	323.145117	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+H+K"	39.970434
"1451551"	121.038517	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H+K"	39.970434
"241247"	446.247026	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+ACN+H"	42.033826
"1213956"	244.140426	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+ACN+H"	42.033826
"1195654"	122.573851	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+ACN+2H"	43.041102
"189495"	449.18436	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+2Na-H"	44.97116
"631729"	651.29096	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+2Na-H"	44.97116
"1132561"	247.07776	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2Na-H"	44.97116
"174516"	225.095818	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+2Na"	45.978436
"613461"	326.149118	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+2Na"	45.978436
"1116972"	124.042518	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2Na"	45.978436
"1402929"	83.0307706666667	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H+2Na"	46.985712
"1430138"	249.119346	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H+HCOOH"	47.012746
"221459"	230.12884	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+3H2O+2H"	56.04448
"1519007"	263.17139	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+IsoProp+H"	61.06479
"417601"	233.082788	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+Na+K"	61.952376
"781876"	334.136088	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+Na+K"	61.952376
"1679300"	132.029488	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Na+K"	61.952376
"266795"	468.228968	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+ACN+Na"	64.015768
"1233062"	266.122368	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+ACN+Na"	64.015768
"1720854"	266.145893	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+NH4+HCOOH"	64.039293
"1187302"	90.3580846666667	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+3Na"	68.967654
"1663636"	271.101288	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Na+HCOOH"	68.994688
"171712"	481.13224	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+2K-H"	76.91904
"611643"	683.23884	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+2K-H"	76.91904
"1095426"	279.02564	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2K-H"	76.91904
"152975"	241.069758	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"2M+2K"	77.926316
"588884"	342.123058	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"3M+2K"	77.926316
"1077769"	140.016458	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2K"	77.926316
"1112922"	281.040192	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2K+H"	78.933592
"1336308"	281.127807	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+DMSO+H"	79.021207
"1008244"	285.166976	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2ACN+H"	83.060376
"1527463"	286.160608	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+IsoProp+Na+H"	84.054008
"993912"	143.087126	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+2ACN+2H"	84.067652
"1593888"	287.075228	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+K+HCOOH"	84.968628
"1418453"	317.106738	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+H+CF3COOH"	115.000138
"1159676"	163.600401	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+3ACN+2H"	125.094202
"1707040"	334.133285	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+NH4+CF3COOH"	132.026685
"1638317"	339.08868	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+Na+CF3COOH"	136.98208
"1582717"	355.06262	"C18509"	"Dinotefuran"	"C7H14N4O3"	"202.1066"	"M+K+CF3COOH"	152.95602
"811988"	300.1725	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M"	0
"984428"	281.15411	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"69389"	199.107724	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"517701"	299.165224	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"891130"	99.050224	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"10797"	299.165224	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"452545"	449.251474	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"823786"	149.078974	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"81598"	599.337724	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"525531"	899.510224	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"903333"	299.165224	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"53332"	616.364271	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"488517"	916.536771	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"864302"	316.191771	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"44083"	621.319666	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"483278"	921.492166	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"858162"	321.147166	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1630611"	321.147166	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"105319"	317.153563	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"543783"	467.239813	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"939122"	167.067313	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"279135"	635.314402	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"672650"	935.486902	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1282867"	335.141902	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"28704"	637.293606	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"467902"	937.466106	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"845339"	337.121106	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1566273"	337.121106	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"946502"	345.170694	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"369092"	645.343201	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"357349"	659.358851	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1498531"	359.186351	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"963885"	367.152651	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"113887"	335.141902	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"552355"	485.228152	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1023339"	185.055652	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1242916"	379.091385	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1306820"	381.147372	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1322860"	403.129329	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"915377"	413.158086	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1293908"	449.134764	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1375349"	265.159824	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1392846"	283.1698	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"294721"	601.352276	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"682767"	901.524776	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1361303"	301.179776	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"135285"	301.179776	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"578127"	451.266026	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1048021"	151.093526	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"218842"	201.122276	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"656581"	301.179776	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1172519"	101.064776	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"438587"	618.378823	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"800073"	918.551323	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1696608"	318.206323	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"343585"	309.6930495	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"737100"	459.7792995	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1492541"	159.6067995	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"400852"	623.334218	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"761844"	923.506718	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1616508"	323.161718	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"324359"	312.170747	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"720062"	462.256997	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1469510"	162.084497	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1062758"	108.39209	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1268810"	333.205986	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"380822"	639.308158	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"745097"	939.480658	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1546056"	339.135658	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"307606"	320.157717	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"696746"	470.243967	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1456034"	170.071467	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"244636"	642.378826	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1214065"	342.206326	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1195394"	171.606801	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"192278"	645.31616	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"629405"	945.48866	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1132671"	345.14366	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"173408"	323.161718	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"613451"	473.247968	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1116228"	173.075468	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1400852"	115.719404	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1432239"	347.185246	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"222663"	328.19474	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1521304"	361.23729	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"417711"	331.148688	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"781986"	481.234938	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1680262"	181.062438	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"266419"	664.360768	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1234265"	364.188268	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1722057"	364.211793	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1188505"	123.046718	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1661680"	369.167188	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"170728"	677.26404	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"611021"	977.43654	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1096268"	377.09154	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"153809"	339.135658	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"591181"	489.221908	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1075693"	189.049408	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1109994"	379.106092	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1336907"	379.193707	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1010540"	383.232876	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1527573"	384.226508	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"990981"	192.120076	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1593998"	385.141128	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1418563"	415.172638	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1157600"	212.633351	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1706057"	432.199185	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1641707"	437.15458	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1582827"	453.12852	"C18510"	"Prallethrin"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"812098"	270.0884	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M"	0
"983445"	251.07001	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-H2O-H"	-19.01839
"66584"	179.051657333333	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M-3H"	-3.021828
"509062"	269.081124	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M-3H"	-3.021828
"891240"	89.0221906666666	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-3H"	-3.021828
"8720"	269.081124	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M-2H"	-2.014552
"451562"	404.125324	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M-2H"	-2.014552
"826083"	134.036924	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-2H"	-2.014552
"84989"	539.169524	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M-H"	-1.007276
"525641"	809.257924	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M-H"	-1.007276
"903443"	269.081124	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-H"	-1.007276
"56722"	556.196071	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M-2H+NH4"	16.019271
"488265"	826.284471	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M-2H+NH4"	16.019271
"864228"	286.107671	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-2H+NH4"	16.019271
"45165"	561.151466	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M-2H+Na"	20.974666
"485819"	831.239866	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M-2H+Na"	20.974666
"854992"	291.063066	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-2H+Na"	20.974666
"1630721"	291.063066	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Na-2H"	20.974666
"105427"	287.069463	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M-H+Cl"	33.962126
"543893"	422.113663	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M-H+Cl"	33.962126
"939231"	152.025263	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-H+Cl"	33.962126
"281432"	575.146202	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+Cl"	34.969402
"674826"	845.234602	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+Cl"	34.969402
"1286257"	305.057802	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Cl"	34.969402
"26627"	577.125406	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M-2H+K"	36.948606
"467282"	847.213806	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M-2H+K"	36.948606
"846907"	307.037006	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-2H+K"	36.948606
"1566383"	307.037006	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+K-2H"	36.948606
"946612"	315.086594	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-H+HCOOH"	44.998194
"368109"	585.175001	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+HCOOH-H"	44.998201
"350898"	599.190651	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+Hac-H"	59.013851
"1501922"	329.102251	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Hac-H"	59.013851
"969463"	337.068551	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-H+NaCOOH"	66.980151
"113997"	305.057802	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+2Cl"	69.938804
"554651"	440.102002	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+2Cl"	69.938804
"1023084"	170.013602	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2Cl"	69.938804
"1241932"	349.007285	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Br"	78.918885
"1305473"	351.063272	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Cl+HCOOH"	80.974872
"1321512"	373.045229	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Cl+NaCOOH"	102.956829
"912570"	383.073986	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M-H+CF3COOH"	112.985586
"1291102"	419.050664	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Cl+CF3COOH"	148.962264
"1371086"	235.075724	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H-2H2O"	-35.012676
"1388583"	253.0857	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H-H2O"	-17.0027
"293738"	541.184076	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+H"	1.007276
"682877"	811.272476	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+H"	1.007276
"1360320"	271.095676	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H"	1.007276
"132114"	271.095676	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+2H"	2.014552
"572770"	406.139876	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+2H"	2.014552
"1048131"	136.051476	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2H"	2.014552
"218467"	181.066209333333	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+3H"	3.021828
"656691"	271.095676	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+3H"	3.021828
"1172629"	91.0367426666667	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+3H"	3.021828
"438454"	558.210623	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+NH4"	18.033823
"800182"	828.299023	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+NH4"	18.033823
"1696826"	288.122223	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+NH4"	18.033823
"344061"	279.6089495	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+H+NH4"	19.041099
"738186"	414.6531495	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+H+NH4"	19.041099
"1492650"	144.5647495	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H+NH4"	19.041099
"400962"	563.166018	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+Na"	22.989218
"760860"	833.254418	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+Na"	22.989218
"1611149"	293.077618	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Na"	22.989218
"325562"	282.086647	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+H+Na"	23.996494
"719079"	417.130847	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+H+Na"	23.996494
"1475086"	147.042447	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H+Na"	23.996494
"1062868"	98.3640566666667	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2H+Na"	25.00377
"1270013"	303.121886	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+CH3OH+H"	33.033486
"380932"	579.139958	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+K"	38.963158
"746301"	849.228358	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+K"	38.963158
"1542886"	309.051558	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+K"	38.963158
"305530"	290.073617	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+H+K"	39.970434
"696856"	425.117817	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+H+K"	39.970434
"1448489"	155.029417	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H+K"	39.970434
"244745"	582.210626	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+ACN+H"	42.033826
"1215268"	312.122226	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+ACN+H"	42.033826
"1199151"	156.564751	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+ACN+2H"	43.041102
"194210"	585.14796	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+2Na-H"	44.97116
"629881"	855.23636	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+2Na-H"	44.97116
"1132172"	315.05956	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2Na-H"	44.97116
"172998"	293.077618	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+2Na"	45.978436
"612990"	428.121818	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+2Na"	45.978436
"1116096"	158.033418	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2Na"	45.978436
"1399744"	105.691370666667	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H+2Na"	46.985712
"1431256"	317.101146	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H+HCOOH"	47.012746
"220250"	298.11064	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+3H2O+2H"	56.04448
"1515947"	331.15319	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+IsoProp+H"	61.06479
"414541"	301.064588	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+Na+K"	61.952376
"778816"	436.108788	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+Na+K"	61.952376
"1675146"	166.020388	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Na+K"	61.952376
"264947"	604.192568	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+ACN+Na"	64.015768
"1233282"	334.104168	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+ACN+Na"	64.015768
"1722167"	334.127693	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+NH4+HCOOH"	64.039293
"1188615"	113.018684666667	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+3Na"	68.967654
"1661790"	339.083088	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Na+HCOOH"	68.994688
"169745"	617.09584	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+2K-H"	76.91904
"610401"	887.18424	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+2K-H"	76.91904
"1094918"	347.00744	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2K-H"	76.91904
"153919"	309.051558	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"2M+2K"	77.926316
"588011"	444.095758	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"3M+2K"	77.926316
"1075803"	174.007358	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2K"	77.926316
"1109011"	349.021992	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2K+H"	78.933592
"1337260"	349.109607	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+DMSO+H"	79.021207
"1010650"	353.148776	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2ACN+H"	83.060376
"1525860"	354.142408	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+IsoProp+Na+H"	84.054008
"991942"	177.078026	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+2ACN+2H"	84.067652
"1594108"	355.057028	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+K+HCOOH"	84.968628
"1423047"	385.088538	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+H+CF3COOH"	115.000138
"1158803"	197.591301	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+3ACN+2H"	125.094202
"1707260"	402.115085	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+NH4+CF3COOH"	132.026685
"1641817"	407.07048	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+Na+CF3COOH"	136.98208
"1582937"	423.04442	"C18511"	"Nitenpyram"	"C11H15ClN4O2"	"270.0884"	"M+K+CF3COOH"	152.95602
"813301"	252.0236	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M"	0
"983555"	233.00521	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-H2O-H"	-19.01839
"71797"	167.008457333333	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M-3H"	-3.021828
"512452"	251.016324	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M-3H"	-3.021828
"892443"	83.0005906666667	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-3H"	-3.021828
"8830"	251.016324	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M-2H"	-2.014552
"451672"	377.028124	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M-2H"	-2.014552
"828381"	125.004524	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-2H"	-2.014552
"84006"	503.039924	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M-H"	-1.007276
"520284"	755.063524	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M-H"	-1.007276
"898450"	251.016324	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-H"	-1.007276
"51366"	520.066471	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M-2H+NH4"	16.019271
"488012"	772.090071	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M-2H+NH4"	16.019271
"864632"	268.042871	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-2H+NH4"	16.019271
"44664"	525.021866	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M-2H+Na"	20.974666
"485683"	777.045466	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M-2H+Na"	20.974666
"855102"	272.998266	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-2H+Na"	20.974666
"1624635"	272.998266	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Na-2H"	20.974666
"108454"	269.004663	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M-H+Cl"	33.962126
"545097"	395.016463	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M-H+Cl"	33.962126
"936425"	142.992863	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-H+Cl"	33.962126
"279355"	539.016602	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+Cl"	34.969402
"673963"	791.040202	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+Cl"	34.969402
"1281992"	286.993002	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Cl"	34.969402
"30017"	540.995806	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M-2H+K"	36.948606
"468486"	793.019406	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M-2H+K"	36.948606
"847989"	288.972206	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-2H+K"	36.948606
"1568316"	288.972206	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+K-2H"	36.948606
"951095"	297.021794	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-H+HCOOH"	44.998194
"371499"	549.045401	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+HCOOH-H"	44.998201
"352101"	563.061051	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+Hac-H"	59.013851
"1506405"	311.037451	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Hac-H"	59.013851
"972488"	319.003751	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-H+NaCOOH"	66.980151
"115200"	286.993002	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+2Cl"	69.938804
"555854"	413.004802	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+2Cl"	69.938804
"1024653"	160.981202	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2Cl"	69.938804
"1243138"	330.942485	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Br"	78.918885
"1306677"	332.998472	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Cl+HCOOH"	80.974872
"1322351"	354.980429	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Cl+NaCOOH"	102.956829
"913775"	365.009186	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M-H+CF3COOH"	112.985586
"1293035"	400.985864	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Cl+CF3COOH"	148.962264
"1377758"	217.010924	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H-2H2O"	-35.012676
"1387600"	235.0209	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H-H2O"	-17.0027
"292755"	505.054476	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+H"	1.007276
"681894"	757.078076	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+H"	1.007276
"1360430"	253.030876	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H"	1.007276
"130037"	253.030876	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+2H"	2.014552
"573973"	379.042676	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+2H"	2.014552
"1042772"	127.019076	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2H"	2.014552
"218092"	169.023009333333	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+3H"	3.021828
"656801"	253.030876	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+3H"	3.021828
"1172739"	85.0151426666667	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+3H"	3.021828
"439905"	522.081023	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+NH4"	18.033823
"800783"	774.104623	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+NH4"	18.033823
"1696018"	270.057423	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+NH4"	18.033823
"343806"	261.5441495	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+H+NH4"	19.041099
"738179"	387.5559495	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+H+NH4"	19.041099
"1492362"	135.5323495	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H+NH4"	19.041099
"402165"	527.036418	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+Na"	22.989218
"762065"	779.060018	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+Na"	22.989218
"1610166"	275.012818	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Na"	22.989218
"325673"	264.021847	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+H+Na"	23.996494
"719189"	390.033647	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+H+Na"	23.996494
"1476289"	138.010047	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H+Na"	23.996494
"1065164"	92.3424566666666	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2H+Na"	25.00377
"1270853"	285.057086	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+CH3OH+H"	33.033486
"379948"	543.010358	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+K"	38.963158
"745318"	795.033958	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+K"	38.963158
"1545182"	290.986758	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+K"	38.963158
"304547"	272.008817	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+H+K"	39.970434
"698061"	398.020617	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+H+K"	39.970434
"1451881"	145.997017	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H+K"	39.970434
"239390"	546.081026	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+ACN+H"	42.033826
"1212098"	294.057426	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+ACN+H"	42.033826
"1197073"	147.532351	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+ACN+2H"	43.041102
"191040"	549.01836	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+2Na-H"	44.97116
"630600"	801.04196	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+2Na-H"	44.97116
"1131666"	296.99476	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2Na-H"	44.97116
"173215"	275.012818	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+2Na"	45.978436
"613223"	401.024618	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+2Na"	45.978436
"1116044"	149.001018	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2Na"	45.978436
"1401071"	99.6697706666667	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H+2Na"	46.985712
"1430018"	299.036346	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H+HCOOH"	47.012746
"220122"	280.04584	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+3H2O+2H"	56.04448
"1519333"	313.08839	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+IsoProp+H"	61.06479
"420118"	282.999788	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+Na+K"	61.952376
"782206"	409.011588	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+Na+K"	61.952376
"1678536"	156.987988	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Na+K"	61.952376
"263964"	568.062968	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+ACN+Na"	64.015768
"1236672"	316.039368	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+ACN+Na"	64.015768
"1724464"	316.062893	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+NH4+HCOOH"	64.039293
"1192005"	106.997084666667	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+3Na"	68.967654
"1661900"	321.018288	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Na+HCOOH"	68.994688
"167667"	580.96624	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+2K-H"	76.91904
"608322"	832.98984	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+2K-H"	76.91904
"1098669"	328.94264	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2K-H"	76.91904
"154032"	290.986758	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"2M+2K"	77.926316
"592496"	416.998558	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"3M+2K"	77.926316
"1077009"	164.974958	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2K"	77.926316
"1106937"	330.957192	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2K+H"	78.933592
"1336885"	331.044807	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+DMSO+H"	79.021207
"1006508"	335.083976	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2ACN+H"	83.060376
"1524876"	336.077608	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+IsoProp+Na+H"	84.054008
"992053"	168.045626	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+2ACN+2H"	84.067652
"1595311"	336.992228	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+K+HCOOH"	84.968628
"1426437"	367.023738	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+H+CF3COOH"	115.000138
"1156725"	188.558901	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+3ACN+2H"	125.094202
"1707369"	384.050285	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+NH4+CF3COOH"	132.026685
"1644114"	389.00568	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+Na+CF3COOH"	136.98208
"1583047"	404.97962	"C18512"	"Thiacloprid"	"C10H9ClN4S"	"252.0236"	"M+K+CF3COOH"	152.95602
"814507"	291.0193	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M"	0
"985852"	272.00091	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-H2O-H"	-19.01839
"77012"	193.005590666667	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M-3H"	-3.021828
"509282"	290.012024	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M-3H"	-3.021828
"891458"	95.9991573333333	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-3H"	-3.021828
"10034"	290.012024	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M-2H"	-2.014552
"450689"	435.521674	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M-2H"	-2.014552
"828491"	144.502374	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-2H"	-2.014552
"82293"	581.031324	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M-H"	-1.007276
"523674"	872.050624	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M-H"	-1.007276
"897466"	290.012024	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-H"	-1.007276
"49290"	598.057871	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M-2H+NH4"	16.019271
"499783"	889.077171	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M-2H+NH4"	16.019271
"864623"	307.038571	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-2H+NH4"	16.019271
"43678"	603.013266	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M-2H+Na"	20.974666
"481778"	894.032566	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M-2H+Na"	20.974666
"855576"	311.993966	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-2H+Na"	20.974666
"1628025"	311.993966	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Na-2H"	20.974666
"105646"	308.000363	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M-H+Cl"	33.962126
"543020"	453.510013	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M-H+Cl"	33.962126
"936535"	162.490713	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-H+Cl"	33.962126
"276185"	617.008002	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+Cl"	34.969402
"670793"	908.027302	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+Cl"	34.969402
"1277728"	325.988702	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Cl"	34.969402
"24660"	618.987206	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M-2H+K"	36.948606
"468594"	910.006506	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M-2H+K"	36.948606
"843118"	327.967906	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-2H+K"	36.948606
"1565510"	327.967906	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+K-2H"	36.948606
"950112"	336.017494	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-H+HCOOH"	44.998194
"370516"	627.036801	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+HCOOH-H"	44.998201
"351119"	641.052451	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+Hac-H"	59.013851
"1506515"	350.033151	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Hac-H"	59.013851
"969682"	357.999451	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-H+NaCOOH"	66.980151
"114216"	325.988702	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+2Cl"	69.938804
"554871"	471.498352	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+2Cl"	69.938804
"1022575"	180.479052	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2Cl"	69.938804
"1242274"	369.938185	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Br"	78.918885
"1305695"	371.994172	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Cl+HCOOH"	80.974872
"1320639"	393.976129	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Cl+NaCOOH"	102.956829
"913519"	404.004886	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M-H+CF3COOH"	112.985586
"1291322"	439.981564	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Cl+CF3COOH"	148.962264
"1367102"	256.006624	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H-2H2O"	-35.012676
"1387709"	274.0166	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H-H2O"	-17.0027
"283750"	583.045876	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+H"	1.007276
"682003"	874.065176	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+H"	1.007276
"1356166"	292.026576	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H"	1.007276
"132333"	292.026576	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+2H"	2.014552
"572988"	437.536226	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+2H"	2.014552
"1043975"	146.516926	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2H"	2.014552
"217348"	195.020142666667	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+3H"	3.021828
"656910"	292.026576	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+3H"	3.021828
"1176375"	98.0137093333333	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+3H"	3.021828
"439167"	600.072423	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+NH4"	18.033823
"800529"	891.091723	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+NH4"	18.033823
"1695642"	309.053123	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+NH4"	18.033823
"344893"	300.5398495	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+H+NH4"	19.041099
"737924"	446.0494995	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+H+NH4"	19.041099
"1492229"	155.0301995	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H+NH4"	19.041099
"403368"	605.027818	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+Na"	22.989218
"765455"	896.047118	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+Na"	22.989218
"1610276"	314.008518	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Na"	22.989218
"325783"	303.017547	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+H+Na"	23.996494
"719299"	448.527197	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+H+Na"	23.996494
"1475551"	157.507897	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H+Na"	23.996494
"1065272"	105.341023333333	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2H+Na"	25.00377
"1270963"	324.052786	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+CH3OH+H"	33.033486
"388808"	621.001758	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+K"	38.963158
"743241"	912.021058	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+K"	38.963158
"1545293"	329.982458	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+K"	38.963158
"304656"	311.004517	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+H+K"	39.970434
"698170"	456.514167	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+H+K"	39.970434
"1450898"	165.494867	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H+K"	39.970434
"238407"	624.072426	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+ACN+H"	42.033826
"1216582"	333.053126	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+ACN+H"	42.033826
"1197184"	167.030201	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+ACN+2H"	43.041102
"191515"	627.00976	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+2Na-H"	44.97116
"633986"	918.02906	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+2Na-H"	44.97116
"1134214"	335.99046	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2Na-H"	44.97116
"176411"	314.008518	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+2Na"	45.978436
"614027"	459.518168	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+2Na"	45.978436
"1118385"	168.498868	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2Na"	45.978436
"1401910"	112.668337333333	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H+2Na"	46.985712
"1430864"	338.032046	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H+HCOOH"	47.012746
"219983"	319.04154	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+3H2O+2H"	56.04448
"1519443"	352.08409	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+IsoProp+H"	61.06479
"413668"	321.995488	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+Na+K"	61.952376
"777943"	467.505138	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+Na+K"	61.952376
"1677553"	176.485838	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Na+K"	61.952376
"261887"	646.054368	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+ACN+Na"	64.015768
"1235688"	355.035068	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+ACN+Na"	64.015768
"1720200"	355.058593	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+NH4+HCOOH"	64.039293
"1191022"	119.995651333333	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+3Na"	68.967654
"1664075"	360.013988	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Na+HCOOH"	68.994688
"164497"	658.95764	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+2K-H"	76.91904
"608432"	949.97694	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+2K-H"	76.91904
"1096226"	367.93834	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2K-H"	76.91904
"151952"	329.982458	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"2M+2K"	77.926316
"588231"	475.492108	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"3M+2K"	77.926316
"1076024"	184.472808	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2K"	77.926316
"1105954"	369.952892	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2K+H"	78.933592
"1335810"	370.040507	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+DMSO+H"	79.021207
"1005705"	374.079676	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2ACN+H"	83.060376
"1524458"	375.073308	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+IsoProp+Na+H"	84.054008
"989985"	187.543476	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+2ACN+2H"	84.067652
"1594328"	375.987928	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+K+HCOOH"	84.968628
"1423267"	406.019438	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+H+CF3COOH"	115.000138
"1155742"	208.056751	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+3ACN+2H"	125.094202
"1707479"	423.045985	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+NH4+CF3COOH"	132.026685
"1644224"	428.00138	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+Na+CF3COOH"	136.98208
"1583157"	443.97532	"C18513"	"Thiamethoxam"	"C8H10ClN5O3S"	"291.0193"	"M+K+CF3COOH"	152.95602
"812428"	374.071	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M"	0
"988149"	355.05261	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-H2O-H"	-19.01839
"78219"	248.373390666667	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M-3H"	-3.021828
"514860"	373.063724	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M-3H"	-3.021828
"890476"	123.683057333333	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-3H"	-3.021828
"11239"	373.063724	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M-2H"	-2.014552
"452988"	560.099224	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M-2H"	-2.014552
"831885"	186.028224	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-2H"	-2.014552
"86413"	747.134724	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M-H"	-1.007276
"528158"	1121.205724	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M-H"	-1.007276
"901587"	373.063724	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-H"	-1.007276
"53776"	764.161271	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M-2H+NH4"	16.019271
"496615"	1138.232271	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M-2H+NH4"	16.019271
"864938"	390.090271	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-2H+NH4"	16.019271
"43060"	769.116666	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M-2H+Na"	20.974666
"482983"	1143.187666	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M-2H+Na"	20.974666
"860786"	395.045666	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-2H+Na"	20.974666
"1631782"	395.045666	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Na-2H"	20.974666
"107216"	391.052063	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M-H+Cl"	33.962126
"545317"	578.087563	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M-H+Cl"	33.962126
"940780"	204.016563	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-H+Cl"	33.962126
"280548"	783.111402	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+Cl"	34.969402
"673580"	1157.182402	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+Cl"	34.969402
"1280024"	409.040402	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Cl"	34.969402
"29635"	785.090606	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M-2H+K"	36.948606
"468707"	1159.161606	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M-2H+K"	36.948606
"847239"	411.019606	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-2H+K"	36.948606
"1566715"	411.019606	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+K-2H"	36.948606
"952409"	419.069194	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-H+HCOOH"	44.998194
"371719"	793.140201	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+HCOOH-H"	44.998201
"353415"	807.155851	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+Hac-H"	59.013851
"1507847"	433.084851	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Hac-H"	59.013851
"973648"	441.051151	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-H+NaCOOH"	66.980151
"124167"	409.040402	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+2Cl"	69.938804
"562635"	596.075902	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+2Cl"	69.938804
"1031434"	222.004902	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2Cl"	69.938804
"1254293"	452.989885	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Br"	78.918885
"1314554"	455.045872	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Cl+HCOOH"	80.974872
"1328770"	477.027829	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Cl+NaCOOH"	102.956829
"922014"	487.056586	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M-H+CF3COOH"	112.985586
"1295443"	523.033264	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Cl+CF3COOH"	148.962264
"1375789"	339.058324	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H-2H2O"	-35.012676
"1391100"	357.0683	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H-H2O"	-17.0027
"291879"	749.149276	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+H"	1.007276
"684300"	1123.220276	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+H"	1.007276
"1362837"	375.078276	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H"	1.007276
"131350"	375.078276	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+2H"	2.014552
"573098"	562.113776	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+2H"	2.014552
"1049554"	188.042776	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2H"	2.014552
"219168"	250.387942666667	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+3H"	3.021828
"659548"	375.078276	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+3H"	3.021828
"1178148"	125.697609333333	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+3H"	3.021828
"439724"	766.175823	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+NH4"	18.033823
"800757"	1140.246823	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+NH4"	18.033823
"1696600"	392.104823	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+NH4"	18.033823
"345122"	383.5915495	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+H+NH4"	19.041099
"738234"	570.6270495	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+H+NH4"	19.041099
"1489176"	196.5560495	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H+NH4"	19.041099
"403480"	771.131218	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+Na"	22.989218
"766659"	1145.202218	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+Na"	22.989218
"1611483"	397.060218	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Na"	22.989218
"324800"	386.069247	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+H+Na"	23.996494
"719409"	573.104747	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+H+Na"	23.996494
"1475416"	199.033747	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H+Na"	23.996494
"1068177"	133.024923333333	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2H+Na"	25.00377
"1271927"	407.104486	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+CH3OH+H"	33.033486
"391833"	787.105158	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+K"	38.963158
"749912"	1161.176158	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+K"	38.963158
"1549778"	413.034158	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+K"	38.963158
"310236"	394.056217	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+H+K"	39.970434
"699375"	581.091717	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+H+K"	39.970434
"1454289"	207.020717	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H+K"	39.970434
"238518"	790.175826	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+ACN+H"	42.033826
"1213413"	416.104826	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+ACN+H"	42.033826
"1200575"	208.556051	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+ACN+2H"	43.041102
"193448"	793.11316	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+2Na-H"	44.97116
"633004"	1167.18416	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+2Na-H"	44.97116
"1132502"	419.04216	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2Na-H"	44.97116
"173481"	397.060218	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+2Na"	45.978436
"613649"	584.095718	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+2Na"	45.978436
"1116672"	210.024718	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2Na"	45.978436
"1399226"	140.352237333333	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H+2Na"	46.985712
"1430244"	421.083746	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H+HCOOH"	47.012746
"220430"	402.09324	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+3H2O+2H"	56.04448
"1516274"	435.13579	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+IsoProp+H"	61.06479
"415965"	405.047188	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+Na+K"	61.952376
"781333"	592.082688	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+Na+K"	61.952376
"1674383"	218.011688	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Na+K"	61.952376
"261997"	812.157768	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+ACN+Na"	64.015768
"1233611"	438.086768	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+ACN+Na"	64.015768
"1719217"	438.110293	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+NH4+HCOOH"	64.039293
"1190039"	147.679551333333	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+3Na"	68.967654
"1662120"	443.065688	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Na+HCOOH"	68.994688
"168981"	825.06104	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+2K-H"	76.91904
"607449"	1199.13204	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+2K-H"	76.91904
"1094152"	450.99004	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2K-H"	76.91904
"150968"	413.034158	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"2M+2K"	77.926316
"591620"	600.069658	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"3M+2K"	77.926316
"1076135"	225.998658	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2K"	77.926316
"1102783"	453.004592	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2K+H"	78.933592
"1335679"	453.092207	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+DMSO+H"	79.021207
"1005993"	457.131376	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2ACN+H"	83.060376
"1525220"	458.125008	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+IsoProp+Na+H"	84.054008
"990447"	229.069326	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+2ACN+2H"	84.067652
"1593343"	459.039628	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+K+HCOOH"	84.968628
"1421190"	489.071138	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+H+CF3COOH"	115.000138
"1155852"	249.582601	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+3ACN+2H"	125.094202
"1707589"	506.097685	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+NH4+CF3COOH"	132.026685
"1644334"	511.05308	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+Na+CF3COOH"	136.98208
"1583267"	527.02702	"C18514"	"Chlorophacinone"	"C23H15ClO3"	"374.071"	"M+K+CF3COOH"	152.95602
"812538"	394.2256	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M"	0
"984979"	375.20721	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-H2O-H"	-19.01839
"75409"	261.809790666667	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M-3H"	-3.021828
"511690"	393.218324	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M-3H"	-3.021828
"885116"	130.401257333333	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-3H"	-3.021828
"9159"	393.218324	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M-2H"	-2.014552
"448720"	590.331124	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M-2H"	-2.014552
"823241"	196.105524	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-2H"	-2.014552
"82511"	787.443924	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M-H"	-1.007276
"522800"	1181.669524	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M-H"	-1.007276
"900602"	393.218324	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-H"	-1.007276
"51696"	804.470471	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M-2H+NH4"	16.019271
"493443"	1198.696071	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M-2H+NH4"	16.019271
"865411"	410.244871	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-2H+NH4"	16.019271
"43534"	809.425866	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M-2H+Na"	20.974666
"484185"	1203.651466	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M-2H+Na"	20.974666
"859801"	415.200266	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-2H+Na"	20.974666
"1631526"	415.200266	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Na-2H"	20.974666
"107693"	411.206663	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M-H+Cl"	33.962126
"547615"	608.319463	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M-H+Cl"	33.962126
"939676"	214.093863	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-H+Cl"	33.962126
"281268"	823.420602	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+Cl"	34.969402
"673570"	1217.646202	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+Cl"	34.969402
"1281228"	429.195002	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Cl"	34.969402
"29985"	825.399806	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M-2H+K"	36.948606
"466628"	1219.625406	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M-2H+K"	36.948606
"845159"	431.174206	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-2H+K"	36.948606
"1565730"	431.174206	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+K-2H"	36.948606
"950332"	439.223794	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-H+HCOOH"	44.998194
"370734"	833.449401	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+HCOOH-H"	44.998201
"353525"	847.465051	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+Hac-H"	59.013851
"1507469"	453.239451	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Hac-H"	59.013851
"974190"	461.205751	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-H+NaCOOH"	66.980151
"123184"	429.195002	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+2Cl"	69.938804
"560558"	626.307802	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+2Cl"	69.938804
"1024984"	232.082202	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2Cl"	69.938804
"1243833"	473.144485	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Br"	78.918885
"1306281"	475.200472	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Cl+HCOOH"	80.974872
"1322684"	497.182429	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Cl+NaCOOH"	102.956829
"921030"	507.211186	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M-H+CF3COOH"	112.985586
"1292273"	543.187864	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Cl+CF3COOH"	148.962264
"1371526"	359.212924	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H-2H2O"	-35.012676
"1387930"	377.2229	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H-H2O"	-17.0027
"288709"	789.458476	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+H"	1.007276
"678943"	1183.684076	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+H"	1.007276
"1364041"	395.232876	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H"	1.007276
"134742"	395.232876	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+2H"	2.014552
"572113"	592.345676	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+2H"	2.014552
"1052099"	198.120076	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2H"	2.014552
"219518"	263.824342666667	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+3H"	3.021828
"659446"	395.232876	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+3H"	3.021828
"1177941"	132.415809333333	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+3H"	3.021828
"439929"	806.485023	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+NH4"	18.033823
"800502"	1200.710623	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+NH4"	18.033823
"1697001"	412.259423	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+NH4"	18.033823
"345229"	403.7461495	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+H+NH4"	19.041099
"736558"	600.8589495	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+H+NH4"	19.041099
"1490015"	206.6333495	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H+NH4"	19.041099
"403590"	811.440418	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+Na"	22.989218
"767863"	1205.666018	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+Na"	22.989218
"1611593"	417.214818	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Na"	22.989218
"323817"	406.223847	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+H+Na"	23.996494
"718426"	603.336647	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+H+Na"	23.996494
"1473339"	209.111047	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H+Na"	23.996494
"1068045"	139.743123333333	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2H+Na"	25.00377
"1272321"	427.259086	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+CH3OH+H"	33.033486
"392069"	827.414358	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+K"	38.963158
"748930"	1221.639958	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+K"	38.963158
"1549889"	433.188758	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+K"	38.963158
"310346"	414.210817	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+H+K"	39.970434
"705682"	611.323617	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+H+K"	39.970434
"1454400"	217.098017	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H+K"	39.970434
"241907"	830.485026	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+ACN+H"	42.033826
"1216803"	436.259426	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+ACN+H"	42.033826
"1200685"	218.633351	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+ACN+2H"	43.041102
"196838"	833.42236	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+2Na-H"	44.97116
"635300"	1227.64796	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+2Na-H"	44.97116
"1134435"	439.19676	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2Na-H"	44.97116
"173833"	417.214818	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+2Na"	45.978436
"614733"	614.327618	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+2Na"	45.978436
"1117511"	220.102018	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2Na"	45.978436
"1400307"	147.070437333333	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H+2Na"	46.985712
"1431694"	441.238346	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H+HCOOH"	47.012746
"222120"	422.24784	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+3H2O+2H"	56.04448
"1509201"	455.29039	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+IsoProp+H"	61.06479
"416071"	425.201788	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+Na+K"	61.952376
"779256"	622.314588	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+Na+K"	61.952376
"1674493"	228.088988	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Na+K"	61.952376
"262107"	852.466968	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+ACN+Na"	64.015768
"1233721"	458.241368	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+ACN+Na"	64.015768
"1719327"	458.264893	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+NH4+HCOOH"	64.039293
"1185774"	154.397751333333	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+3Na"	68.967654
"1663323"	463.220288	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Na+HCOOH"	68.994688
"170184"	865.37024	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+2K-H"	76.91904
"605370"	1259.59584	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+2K-H"	76.91904
"1096085"	471.14464	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2K-H"	76.91904
"152173"	433.188758	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"2M+2K"	77.926316
"588450"	630.301558	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"3M+2K"	77.926316
"1077338"	236.075958	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2K"	77.926316
"1103986"	473.159192	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2K+H"	78.933592
"1338187"	473.246807	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+DMSO+H"	79.021207
"1007807"	477.285976	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2ACN+H"	83.060376
"1524467"	478.279608	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+IsoProp+Na+H"	84.054008
"990318"	239.146626	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+2ACN+2H"	84.067652
"1588102"	479.194228	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+K+HCOOH"	84.968628
"1422395"	509.225738	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+H+CF3COOH"	115.000138
"1155962"	259.659901	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+3ACN+2H"	125.094202
"1710617"	526.252285	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+NH4+CF3COOH"	132.026685
"1644444"	531.20768	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+Na+CF3COOH"	136.98208
"1583377"	547.18162	"C18515"	"Chromafenozide"	"C24H30N2O3"	"394.2256"	"M+K+CF3COOH"	152.95602
"813741"	412.121	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M"	0
"985089"	393.10261	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-H2O-H"	-19.01839
"75518"	273.740057333333	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M-3H"	-3.021828
"510705"	411.113724	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M-3H"	-3.021828
"881946"	136.366390666667	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-3H"	-3.021828
"9269"	411.113724	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M-2H"	-2.014552
"448830"	617.174224	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M-2H"	-2.014552
"823351"	205.053224	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-2H"	-2.014552
"85539"	823.234724	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M-H"	-1.007276
"519624"	1235.355724	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M-H"	-1.007276
"897917"	411.113724	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-H"	-1.007276
"48889"	840.261271	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M-2H+NH4"	16.019271
"487348"	1252.382271	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M-2H+NH4"	16.019271
"866254"	428.140271	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-2H+NH4"	16.019271
"43640"	845.216666	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M-2H+Na"	20.974666
"485267"	1257.337666	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M-2H+Na"	20.974666
"863558"	433.095666	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-2H+Na"	20.974666
"1632852"	433.095666	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Na-2H"	20.974666
"108896"	429.102063	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M-H+Cl"	33.962126
"548817"	635.162563	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M-H+Cl"	33.962126
"942096"	223.041563	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-H+Cl"	33.962126
"282475"	859.211402	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+Cl"	34.969402
"675143"	1271.332402	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+Cl"	34.969402
"1287535"	447.090402	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Cl"	34.969402
"29855"	861.190606	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M-2H+K"	36.948606
"469656"	1273.311606	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M-2H+K"	36.948606
"847458"	449.069606	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-2H+K"	36.948606
"1568027"	449.069606	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+K-2H"	36.948606
"956276"	457.119194	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-H+HCOOH"	44.998194
"373397"	869.240201	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+HCOOH-H"	44.998201
"354726"	883.255851	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+Hac-H"	59.013851
"1508316"	471.134851	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Hac-H"	59.013851
"974032"	479.101151	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-H+NaCOOH"	66.980151
"124387"	447.090402	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+2Cl"	69.938804
"559575"	653.150902	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+2Cl"	69.938804
"1031655"	241.029902	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2Cl"	69.938804
"1245766"	491.039885	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Br"	78.918885
"1312587"	493.095872	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Cl+HCOOH"	80.974872
"1321701"	515.077829	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Cl+NaCOOH"	102.956829
"914945"	525.106586	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M-H+CF3COOH"	112.985586
"1295664"	561.083264	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Cl+CF3COOH"	148.962264
"1371637"	377.108324	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H-2H2O"	-35.012676
"1391321"	395.1183	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H-H2O"	-17.0027
"295380"	825.249276	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+H"	1.007276
"685615"	1237.370276	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+H"	1.007276
"1365977"	413.128276	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H"	1.007276
"138133"	413.128276	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+2H"	2.014552
"576599"	619.188776	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+2H"	2.014552
"1052087"	207.067776	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2H"	2.014552
"219632"	275.754609333333	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+3H"	3.021828
"659069"	413.128276	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+3H"	3.021828
"1178133"	138.380942666667	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+3H"	3.021828
"439499"	842.275823	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+NH4"	18.033823
"800490"	1254.396823	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+NH4"	18.033823
"1696582"	430.154823	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+NH4"	18.033823
"343881"	421.6415495	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+H+NH4"	19.041099
"737396"	627.7020495	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+H+NH4"	19.041099
"1490127"	215.5810495	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H+NH4"	19.041099
"402607"	847.231218	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+Na"	22.989218
"767973"	1259.352218	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+Na"	22.989218
"1610610"	435.110218	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Na"	22.989218
"323927"	424.119247	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+H+Na"	23.996494
"717443"	630.179747	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+H+Na"	23.996494
"1470169"	218.058747	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H+Na"	23.996494
"1064874"	145.708256666667	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2H+Na"	25.00377
"1271656"	445.154486	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+CH3OH+H"	33.033486
"390961"	863.205158	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+K"	38.963158
"747946"	1275.326158	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+K"	38.963158
"1549999"	451.084158	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+K"	38.963158
"311549"	432.106217	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+H+K"	39.970434
"705429"	638.166717	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+H+K"	39.970434
"1459857"	226.045717	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H+K"	39.970434
"239831"	866.275826	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+ACN+H"	42.033826
"1220193"	454.154826	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+ACN+H"	42.033826
"1200795"	227.581051	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+ACN+2H"	43.041102
"193667"	869.21316	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+2Na-H"	44.97116
"632131"	1281.33416	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+2Na-H"	44.97116
"1136002"	457.09216	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2Na-H"	44.97116
"177104"	435.110218	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+2Na"	45.978436
"614965"	641.170718	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+2Na"	45.978436
"1118714"	229.049718	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2Na"	45.978436
"1400781"	153.035570666667	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H+2Na"	46.985712
"1432533"	459.133746	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H+HCOOH"	47.012746
"224052"	440.14324	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+3H2O+2H"	56.04448
"1509923"	473.18579	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+IsoProp+H"	61.06479
"413993"	443.097188	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+Na+K"	61.952376
"773898"	649.157688	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+Na+K"	61.952376
"1669135"	237.036688	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Na+K"	61.952376
"253467"	888.257768	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+ACN+Na"	64.015768
"1236018"	476.136768	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+ACN+Na"	64.015768
"1718343"	476.160293	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+NH4+HCOOH"	64.039293
"1183697"	160.362884666667	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+3Na"	68.967654
"1659058"	481.115688	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Na+HCOOH"	68.994688
"167013"	901.16104	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+2K-H"	76.91904
"607667"	1313.28204	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+2K-H"	76.91904
"1096195"	489.04004	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2K-H"	76.91904
"153010"	451.084158	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"2M+2K"	77.926316
"588560"	657.144658	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"3M+2K"	77.926316
"1077448"	245.023658	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2K"	77.926316
"1103002"	491.054592	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2K+H"	78.933592
"1336227"	491.142207	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+DMSO+H"	79.021207
"1007187"	495.181376	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2ACN+H"	83.060376
"1524819"	496.175008	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+IsoProp+Na+H"	84.054008
"990666"	248.094326	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+2ACN+2H"	84.067652
"1588212"	497.089628	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+K+HCOOH"	84.968628
"1425781"	527.121138	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+H+CF3COOH"	115.000138
"1157166"	268.607601	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+3ACN+2H"	125.094202
"1704529"	544.147685	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+NH4+CF3COOH"	132.026685
"1644554"	549.10308	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+Na+CF3COOH"	136.98208
"1583487"	565.07702	"C18516"	"Cyflufenamid"	"C20H17F5N2O2"	"412.121"	"M+K+CF3COOH"	152.95602
"810571"	447.1657	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M"	0
"985199"	428.14731	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-H2O-H"	-19.01839
"76721"	297.103190666667	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M-3H"	-3.021828
"510815"	446.158424	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M-3H"	-3.021828
"882420"	148.047957333333	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-3H"	-3.021828
"9379"	446.158424	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M-2H"	-2.014552
"446754"	669.741274	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M-2H"	-2.014552
"821274"	222.575574	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-2H"	-2.014552
"84554"	893.324124	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M-H"	-1.007276
"521926"	1340.489824	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M-H"	-1.007276
"901915"	446.158424	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-H"	-1.007276
"49727"	910.350671	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M-2H+NH4"	16.019271
"491477"	1357.516371	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M-2H+NH4"	16.019271
"864538"	463.184971	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-2H+NH4"	16.019271
"43750"	915.306066	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M-2H+Na"	20.974666
"484405"	1362.471766	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M-2H+Na"	20.974666
"864038"	468.140366	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-2H+Na"	20.974666
"1633774"	468.140366	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Na-2H"	20.974666
"109928"	464.146763	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M-H+Cl"	33.962126
"548927"	687.729613	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M-H+Cl"	33.962126
"942662"	240.563913	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-H+Cl"	33.962126
"282807"	929.300802	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+Cl"	34.969402
"675557"	1376.466502	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+Cl"	34.969402
"1287969"	482.135102	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Cl"	34.969402
"30737"	931.280006	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M-2H+K"	36.948606
"470131"	1378.445706	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M-2H+K"	36.948606
"847852"	484.114306	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-2H+K"	36.948606
"1569230"	484.114306	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+K-2H"	36.948606
"956386"	492.163894	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-H+HCOOH"	44.998194
"375328"	939.329601	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+HCOOH-H"	44.998201
"355929"	953.345251	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+Hac-H"	59.013851
"1508229"	506.179551	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Hac-H"	59.013851
"974187"	514.145851	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-H+NaCOOH"	66.980151
"124868"	482.135102	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+2Cl"	69.938804
"559685"	705.717952	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+2Cl"	69.938804
"1031765"	258.552252	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2Cl"	69.938804
"1249156"	526.084585	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Br"	78.918885
"1312697"	528.140572	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Cl+HCOOH"	80.974872
"1322539"	550.122529	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Cl+NaCOOH"	102.956829
"920158"	560.151286	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M-H+CF3COOH"	112.985586
"1295774"	596.127964	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Cl+CF3COOH"	148.962264
"1375027"	412.153024	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H-2H2O"	-35.012676
"1391431"	430.163	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H-H2O"	-17.0027
"295490"	895.338676	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+H"	1.007276
"686818"	1342.504376	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+H"	1.007276
"1366816"	448.172976	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H"	1.007276
"136056"	448.172976	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+2H"	2.014552
"575616"	671.755826	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+2H"	2.014552
"1052196"	224.590126	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2H"	2.014552
"219933"	299.117742666667	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+3H"	3.021828
"659420"	448.172976	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+3H"	3.021828
"1178034"	150.062509333333	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+3H"	3.021828
"439239"	912.365223	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+NH4"	18.033823
"800601"	1359.530923	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+NH4"	18.033823
"1696202"	465.199523	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+NH4"	18.033823
"343262"	456.6862495	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+H+NH4"	19.041099
"735684"	680.2690995	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+H+NH4"	19.041099
"1489505"	233.1033995	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H+NH4"	19.041099
"398344"	917.320618	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+Na"	22.989218
"765896"	1364.486318	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+Na"	22.989218
"1611809"	470.154918	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Na"	22.989218
"319661"	459.163947	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+H+Na"	23.996494
"712084"	682.746797	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+H+Na"	23.996494
"1464809"	235.581097	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H+Na"	23.996494
"1065348"	157.389823333333	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2H+Na"	25.00377
"1268120"	480.199186	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+CH3OH+H"	33.033486
"392164"	933.294558	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+K"	38.963158
"749148"	1380.460258	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+K"	38.963158
"1550109"	486.128858	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+K"	38.963158
"309472"	467.150917	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+H+K"	39.970434
"705901"	690.733767	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+H+K"	39.970434
"1458630"	243.568067	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H+K"	39.970434
"238847"	936.365226	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+ACN+H"	42.033826
"1220303"	489.199526	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+ACN+H"	42.033826
"1201998"	245.103401	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+ACN+2H"	43.041102
"193777"	939.30256	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+2Na-H"	44.97116
"632605"	1386.46826	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+2Na-H"	44.97116
"1132467"	492.13686	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2Na-H"	44.97116
"175757"	470.154918	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+2Na"	45.978436
"614952"	693.737768	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+2Na"	45.978436
"1117001"	246.572068	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2Na"	45.978436
"1400891"	164.717137333333	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H+2Na"	46.985712
"1431548"	494.178446	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H+HCOOH"	47.012746
"219986"	475.18794	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+3H2O+2H"	56.04448
"1508465"	508.23049	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+IsoProp+H"	61.06479
"414103"	478.141888	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+Na+K"	61.952376
"774008"	701.724738	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+Na+K"	61.952376
"1670338"	254.559038	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Na+K"	61.952376
"255763"	958.347168	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+ACN+Na"	64.015768
"1235034"	511.181468	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+ACN+Na"	64.015768
"1719546"	511.204993	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+NH4+HCOOH"	64.039293
"1182714"	172.044451333333	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+3Na"	68.967654
"1659168"	516.160388	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Na+HCOOH"	68.994688
"163843"	971.25044	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+2K-H"	76.91904
"600123"	1418.41614	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+2K-H"	76.91904
"1097398"	524.08474	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2K-H"	76.91904
"153484"	486.128858	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"2M+2K"	77.926316
"586483"	709.711708	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"3M+2K"	77.926316
"1072089"	262.546008	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2K"	77.926316
"1103112"	526.099292	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2K+H"	78.933592
"1337067"	526.186907	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+DMSO+H"	79.021207
"1006567"	530.226076	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2ACN+H"	83.060376
"1525053"	531.219708	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+IsoProp+Na+H"	84.054008
"990412"	265.616676	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+2ACN+2H"	84.067652
"1590387"	532.134328	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+K+HCOOH"	84.968628
"1425891"	562.165838	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+H+CF3COOH"	115.000138
"1158369"	286.129951	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+3ACN+2H"	125.094202
"1704639"	579.192385	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+NH4+CF3COOH"	132.026685
"1644664"	584.14778	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+Na+CF3COOH"	136.98208
"1583597"	600.12172	"C18517"	"Cyflumetofen"	"C24H24F3NO4"	"447.1657"	"M+K+CF3COOH"	152.95602
"810681"	312.0796	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M"	0
"984215"	293.06121	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-H2O-H"	-19.01839
"73551"	207.045790666667	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M-3H"	-3.021828
"509832"	311.072324	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M-3H"	-3.021828
"882166"	103.019257333333	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-3H"	-3.021828
"7303"	311.072324	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M-2H"	-2.014552
"445771"	467.112124	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M-2H"	-2.014552
"820291"	155.032524	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-2H"	-2.014552
"80290"	623.151924	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M-H"	-1.007276
"519850"	935.231524	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M-H"	-1.007276
"897651"	311.072324	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-H"	-1.007276
"54212"	640.178471	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M-2H+NH4"	16.019271
"493772"	952.258071	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M-2H+NH4"	16.019271
"864767"	328.098871	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-2H+NH4"	16.019271
"40578"	645.133866	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M-2H+Na"	20.974666
"477951"	957.213466	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M-2H+Na"	20.974666
"862319"	333.054266	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-2H+Na"	20.974666
"1633598"	333.054266	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Na-2H"	20.974666
"109958"	329.060663	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M-H+Cl"	33.962126
"549037"	485.100463	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M-H+Cl"	33.962126
"942484"	173.020863	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-H+Cl"	33.962126
"282570"	659.128602	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+Cl"	34.969402
"675362"	971.208202	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+Cl"	34.969402
"1283745"	347.049002	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Cl"	34.969402
"28861"	661.107806	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M-2H+K"	36.948606
"469513"	973.187406	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M-2H+K"	36.948606
"848043"	349.028206	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-2H+K"	36.948606
"1568246"	349.028206	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+K-2H"	36.948606
"955037"	357.077794	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-H+HCOOH"	44.998194
"374344"	669.157401	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+HCOOH-H"	44.998201
"353853"	683.173051	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+Hac-H"	59.013851
"1508443"	371.093451	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Hac-H"	59.013851
"973884"	379.059751	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-H+NaCOOH"	66.980151
"125650"	347.049002	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+2Cl"	69.938804
"561982"	503.088802	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+2Cl"	69.938804
"1031875"	191.009202	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2Cl"	69.938804
"1249266"	390.998485	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Br"	78.918885
"1311714"	393.054472	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Cl+HCOOH"	80.974872
"1321557"	415.036429	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Cl+NaCOOH"	102.956829
"919175"	425.065186	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M-H+CF3COOH"	112.985586
"1292604"	461.041864	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Cl+CF3COOH"	148.962264
"1374044"	277.066924	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H-2H2O"	-35.012676
"1391541"	295.0769	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H-H2O"	-17.0027
"294507"	625.166476	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+H"	1.007276
"685835"	937.246076	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+H"	1.007276
"1366440"	313.086876	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H"	1.007276
"135073"	313.086876	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+2H"	2.014552
"573538"	469.126676	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+2H"	2.014552
"1052062"	157.047076	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2H"	2.014552
"217537"	209.060342666667	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+3H"	3.021828
"658191"	313.086876	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+3H"	3.021828
"1177411"	105.033809333333	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+3H"	3.021828
"439917"	642.193023	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+NH4"	18.033823
"796574"	954.272623	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+NH4"	18.033823
"1695822"	330.113423	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+NH4"	18.033823
"342277"	321.6001495	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+H+NH4"	19.041099
"735792"	477.6399495	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+H+NH4"	19.041099
"1487427"	165.5603495	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H+NH4"	19.041099
"397359"	647.148418	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+Na"	22.989218
"759445"	959.228018	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+Na"	22.989218
"1608638"	335.068818	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Na"	22.989218
"318677"	324.077847	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+H+Na"	23.996494
"708914"	480.117647	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+H+Na"	23.996494
"1462732"	168.038047	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H+Na"	23.996494
"1065822"	112.361123333333	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2H+Na"	25.00377
"1266407"	345.113086	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+CH3OH+H"	33.033486
"391545"	663.122358	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+K"	38.963158
"749258"	975.201958	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+K"	38.963158
"1548031"	351.042758	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+K"	38.963158
"307395"	332.064817	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+H+K"	39.970434
"698723"	488.104617	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+H+K"	39.970434
"1457645"	176.025017	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H+K"	39.970434
"240049"	666.193026	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+ACN+H"	42.033826
"1212757"	354.113426	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+ACN+H"	42.033826
"1194693"	177.560351	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+ACN+2H"	43.041102
"192792"	669.13036	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+2Na-H"	44.97116
"631257"	981.20996	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+2Na-H"	44.97116
"1133304"	357.05076	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2Na-H"	44.97116
"172899"	335.068818	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+2Na"	45.978436
"612919"	491.108618	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+2Na"	45.978436
"1115733"	179.029018	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2Na"	45.978436
"1398643"	119.688437333333	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H+2Na"	46.985712
"1431294"	359.092346	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H+HCOOH"	47.012746
"220167"	340.10184	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+3H2O+2H"	56.04448
"1508961"	373.14439	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+IsoProp+H"	61.06479
"414212"	343.055788	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+Na+K"	61.952376
"773024"	499.095588	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+Na+K"	61.952376
"1670447"	187.015988	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Na+K"	61.952376
"255873"	688.174968	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+ACN+Na"	64.015768
"1235144"	376.095368	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+ACN+Na"	64.015768
"1719656"	376.118893	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+NH4+HCOOH"	64.039293
"1182824"	127.015751333333	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+3Na"	68.967654
"1659278"	381.074288	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Na+HCOOH"	68.994688
"163953"	701.07824	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+2K-H"	76.91904
"599504"	1013.15784	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+2K-H"	76.91904
"1096049"	388.99864	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2K-H"	76.91904
"144846"	351.042758	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"2M+2K"	77.926316
"582211"	507.082558	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"3M+2K"	77.926316
"1070374"	195.002958	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2K"	77.926316
"1102128"	391.013192	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2K+H"	78.933592
"1336324"	391.100807	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+DMSO+H"	79.021207
"1006677"	395.139976	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2ACN+H"	83.060376
"1524675"	396.133608	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+IsoProp+Na+H"	84.054008
"990886"	198.073626	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+2ACN+2H"	84.067652
"1588432"	397.048228	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+K+HCOOH"	84.968628
"1426001"	427.079738	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+H+CF3COOH"	115.000138
"1158479"	218.586901	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+3ACN+2H"	125.094202
"1704749"	444.106285	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+NH4+CF3COOH"	132.026685
"1644774"	449.06168	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+Na+CF3COOH"	136.98208
"1583707"	465.03562	"C18518"	"Diclocymet"	"C15H18Cl2N2O"	"312.0796"	"M+K+CF3COOH"	152.95602
"810791"	328.0745	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M"	0
"984325"	309.05611	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-H2O-H"	-19.01839
"73661"	217.709057333333	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M-3H"	-3.021828
"511035"	327.067224	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M-3H"	-3.021828
"885556"	108.350890666667	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-3H"	-3.021828
"7413"	327.067224	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M-2H"	-2.014552
"445881"	491.104474	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M-2H"	-2.014552
"819308"	163.029974	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-2H"	-2.014552
"81857"	655.141724	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M-H"	-1.007276
"522510"	983.216224	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M-H"	-1.007276
"899218"	327.067224	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-H"	-1.007276
"53228"	672.168271	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M-2H+NH4"	16.019271
"491695"	1000.242771	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M-2H+NH4"	16.019271
"864621"	344.093771	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-2H+NH4"	16.019271
"40688"	677.123666	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M-2H+Na"	20.974666
"478061"	1005.198166	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M-2H+Na"	20.974666
"863157"	349.049166	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-2H+Na"	20.974666
"1628683"	349.049166	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Na-2H"	20.974666
"107400"	345.055563	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M-H+Cl"	33.962126
"539304"	509.092813	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M-H+Cl"	33.962126
"936099"	181.018313	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-H+Cl"	33.962126
"279031"	691.118402	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+Cl"	34.969402
"674732"	1019.192902	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+Cl"	34.969402
"1278388"	363.043902	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Cl"	34.969402
"30302"	693.097606	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M-2H+K"	36.948606
"465973"	1021.172106	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M-2H+K"	36.948606
"847055"	365.023106	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-2H+K"	36.948606
"1567262"	365.023106	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+K-2H"	36.948606
"956240"	373.072694	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-H+HCOOH"	44.998194
"371173"	701.147201	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+HCOOH-H"	44.998201
"353962"	715.162851	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+Hac-H"	59.013851
"1508035"	387.088351	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Hac-H"	59.013851
"972776"	395.054651	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-H+NaCOOH"	66.980151
"124357"	363.043902	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+2Cl"	69.938804
"562092"	527.081152	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+2Cl"	69.938804
"1028704"	199.006652	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2Cl"	69.938804
"1246096"	406.993385	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Br"	78.918885
"1307450"	409.049372	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Cl+HCOOH"	80.974872
"1320574"	431.031329	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Cl+NaCOOH"	102.956829
"912359"	441.060086	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M-H+CF3COOH"	112.985586
"1290527"	477.036764	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Cl+CF3COOH"	148.962264
"1371967"	293.061824	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H-2H2O"	-35.012676
"1386184"	311.0718	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H-H2O"	-17.0027
"293524"	657.156276	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+H"	1.007276
"684851"	985.230776	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+H"	1.007276
"1365212"	329.081776	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H"	1.007276
"135183"	329.081776	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+2H"	2.014552
"572555"	493.119026	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+2H"	2.014552
"1049011"	165.044526	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2H"	2.014552
"217891"	219.723609333333	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+3H"	3.021828
"657571"	329.081776	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+3H"	3.021828
"1173509"	110.365442666667	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+3H"	3.021828
"437876"	674.182823	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+NH4"	18.033823
"795591"	1002.257323	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+NH4"	18.033823
"1696298"	346.108323	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+NH4"	18.033823
"336919"	337.5950495	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+H+NH4"	19.041099
"734808"	501.6322995	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+H+NH4"	19.041099
"1491544"	173.5577995	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H+NH4"	19.041099
"397469"	679.138218	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+Na"	22.989218
"758461"	1007.212718	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+Na"	22.989218
"1604375"	351.063718	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Na"	22.989218
"319880"	340.072747	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+H+Na"	23.996494
"711574"	504.109997	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+H+Na"	23.996494
"1464300"	176.035497	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H+Na"	23.996494
"1065932"	117.692756666667	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2H+Na"	25.00377
"1264330"	361.107986	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+CH3OH+H"	33.033486
"387279"	695.112158	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+K"	38.963158
"747181"	1023.186658	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+K"	38.963158
"1547047"	367.037658	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+K"	38.963158
"304223"	348.059717	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+H+K"	39.970434
"693729"	512.096967	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+H+K"	39.970434
"1446697"	184.022467	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H+K"	39.970434
"241252"	698.182826	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+ACN+H"	42.033826
"1212137"	370.108326	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+ACN+H"	42.033826
"1194311"	185.557801	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+ACN+2H"	43.041102
"191444"	701.12016	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+2Na-H"	44.97116
"630638"	1029.19466	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+2Na-H"	44.97116
"1132685"	373.04566	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2Na-H"	44.97116
"173544"	351.063718	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+2Na"	45.978436
"613578"	515.100968	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+2Na"	45.978436
"1116040"	187.026468	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2Na"	45.978436
"1398710"	125.020070666667	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H+2Na"	46.985712
"1432862"	375.087246	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H+HCOOH"	47.012746
"220114"	356.09674	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+3H2O+2H"	56.04448
"1508622"	389.13929	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+IsoProp+H"	61.06479
"413224"	359.050688	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+Na+K"	61.952376
"773134"	523.087938	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+Na+K"	61.952376
"1672743"	195.013438	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Na+K"	61.952376
"255983"	720.164768	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+ACN+Na"	64.015768
"1236347"	392.090268	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+ACN+Na"	64.015768
"1718672"	392.113793	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+NH4+HCOOH"	64.039293
"1185120"	132.347384666667	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+3Na"	68.967654
"1662304"	397.069188	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Na+HCOOH"	68.994688
"165155"	733.06804	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+2K-H"	76.91904
"600707"	1061.14254	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+2K-H"	76.91904
"1090325"	404.99354	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2K-H"	76.91904
"142282"	367.037658	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"2M+2K"	77.926316
"582689"	531.074908	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"3M+2K"	77.926316
"1070241"	203.000408	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2K"	77.926316
"1100209"	407.008092	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2K+H"	78.933592
"1336549"	407.095707	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+DMSO+H"	79.021207
"1005738"	411.134876	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2ACN+H"	83.060376
"1524418"	412.128508	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+IsoProp+Na+H"	84.054008
"990506"	206.071076	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+2ACN+2H"	84.067652
"1587073"	413.043128	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+K+HCOOH"	84.968628
"1426111"	443.074638	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+H+CF3COOH"	115.000138
"1154215"	226.584351	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+3ACN+2H"	125.094202
"1699392"	460.101185	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+NH4+CF3COOH"	132.026685
"1639417"	465.05658	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+Na+CF3COOH"	136.98208
"1583817"	481.03052	"C18519"	"Fenoxanil"	"C15H18Cl2N2O2"	"328.0745"	"M+K+CF3COOH"	152.95602
"813088"	682.0233	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M"	0
"985530"	663.00491	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-H2O-H"	-19.01839
"73771"	453.674924	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M-3H"	-3.021828
"512239"	681.016024	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M-3H"	-3.021828
"886759"	226.333824	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-3H"	-3.021828
"8617"	681.016024	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M-2H"	-2.014552
"447085"	1022.027674	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M-2H"	-2.014552
"822700"	340.004374	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-2H"	-2.014552
"82696"	1363.039324	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M-H"	-1.007276
"522620"	2045.062624	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M-H"	-1.007276
"902247"	681.016024	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-H"	-1.007276
"55529"	1380.065871	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M-2H+NH4"	16.019271
"498367"	2062.089171	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M-2H+NH4"	16.019271
"865347"	698.042571	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-2H+NH4"	16.019271
"39705"	1385.021266	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M-2H+Na"	20.974666
"481451"	2067.044566	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M-2H+Na"	20.974666
"859988"	702.997966	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-2H+Na"	20.974666
"1626607"	702.997966	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Na-2H"	20.974666
"106417"	699.004363	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M-H+Cl"	33.962126
"538321"	1040.016013	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M-H+Cl"	33.962126
"935116"	357.992713	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-H+Cl"	33.962126
"279141"	1399.016002	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+Cl"	34.969402
"674358"	2081.039302	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+Cl"	34.969402
"1278498"	716.992702	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Cl"	34.969402
"22147"	1400.995206	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M-2H+K"	36.948606
"459520"	2083.018506	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M-2H+K"	36.948606
"842791"	718.971906	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-2H+K"	36.948606
"1567372"	718.971906	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+K-2H"	36.948606
"956350"	727.021494	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-H+HCOOH"	44.998194
"371283"	1409.044801	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+HCOOH-H"	44.998201
"354072"	1423.060451	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+Hac-H"	59.013851
"1507986"	741.037151	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Hac-H"	59.013851
"973006"	749.003451	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-H+NaCOOH"	66.980151
"124832"	716.992702	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+2Cl"	69.938804
"561109"	1058.004352	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+2Cl"	69.938804
"1028814"	375.981052	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2Cl"	69.938804
"1246206"	760.942185	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Br"	78.918885
"1313027"	762.998172	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Cl+HCOOH"	80.974872
"1322870"	784.980129	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Cl+NaCOOH"	102.956829
"912469"	795.008886	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M-H+CF3COOH"	112.985586
"1290634"	830.985564	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Cl+CF3COOH"	148.962264
"1372077"	647.010624	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H-2H2O"	-35.012676
"1386294"	665.0206	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H-H2O"	-17.0027
"295820"	1365.053876	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+H"	1.007276
"686054"	2047.077176	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+H"	1.007276
"1361311"	683.030576	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H"	1.007276
"137479"	683.030576	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+2H"	2.014552
"573758"	1024.042226	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+2H"	2.014552
"1050214"	342.018926	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2H"	2.014552
"217759"	455.689476	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+3H"	3.021828
"657684"	683.030576	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+3H"	3.021828
"1173620"	228.348376	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+3H"	3.021828
"434707"	1382.080423	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+NH4"	18.033823
"796797"	2064.103723	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+NH4"	18.033823
"1694949"	700.057123	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+NH4"	18.033823
"343589"	691.5438495	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+H+NH4"	19.041099
"736377"	1032.5554995	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+H+NH4"	19.041099
"1490561"	350.5321995	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H+NH4"	19.041099
"398673"	1387.035818	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+Na"	22.989218
"760758"	2069.059118	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+Na"	22.989218
"1608858"	705.012518	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Na"	22.989218
"323270"	694.021547	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+H+Na"	23.996494
"710226"	1035.033197	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+H+Na"	23.996494
"1466231"	353.009897	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H+Na"	23.996494
"1066042"	235.67569	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2H+Na"	25.00377
"1263346"	715.056786	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+CH3OH+H"	33.033486
"384110"	1403.009758	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+K"	38.963158
"749478"	2085.033058	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+K"	38.963158
"1547156"	720.986458	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+K"	38.963158
"305427"	702.008517	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+H+K"	39.970434
"693475"	1043.020167	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+H+K"	39.970434
"1450575"	360.996867	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H+K"	39.970434
"244643"	1406.080426	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+ACN+H"	42.033826
"1215527"	724.057126	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+ACN+H"	42.033826
"1195886"	362.532201	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+ACN+2H"	43.041102
"195201"	1409.01776	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+2Na-H"	44.97116
"635122"	2091.04106	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+2Na-H"	44.97116
"1134254"	726.99446	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2Na-H"	44.97116
"173410"	705.012518	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+2Na"	45.978436
"613168"	1046.024168	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+2Na"	45.978436
"1116233"	364.000868	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2Na"	45.978436
"1399273"	243.003004	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H+2Na"	46.985712
"1430659"	729.036046	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H+HCOOH"	47.012746
"220837"	710.04554	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+3H2O+2H"	56.04448
"1509142"	743.08809	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+IsoProp+H"	61.06479
"409435"	712.999488	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+Na+K"	61.952376
"773606"	1054.011138	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+Na+K"	61.952376
"1668480"	371.987838	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Na+K"	61.952376
"256090"	1428.062368	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+ACN+Na"	64.015768
"1229166"	746.039068	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+ACN+Na"	64.015768
"1718781"	746.062593	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+NH4+HCOOH"	64.039293
"1185230"	250.330318	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+3Na"	68.967654
"1662779"	751.017988	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Na+HCOOH"	68.994688
"166358"	1440.96564	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+2K-H"	76.91904
"607747"	2122.98894	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+2K-H"	76.91904
"1089342"	758.94234	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2K-H"	76.91904
"143972"	720.986458	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"2M+2K"	77.926316
"584258"	1061.998108	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"3M+2K"	77.926316
"1076790"	379.974808	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2K"	77.926316
"1103440"	760.956892	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2K+H"	78.933592
"1336783"	761.044507	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+DMSO+H"	79.021207
"1005920"	765.083676	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2ACN+H"	83.060376
"1524775"	766.077308	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+IsoProp+Na+H"	84.054008
"990736"	383.045476	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+2ACN+2H"	84.067652
"1587268"	766.991928	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+K+HCOOH"	84.968628
"1417473"	797.023438	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+H+CF3COOH"	115.000138
"1151045"	403.558751	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+3ACN+2H"	125.094202
"1698409"	814.049985	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+NH4+CF3COOH"	132.026685
"1639527"	819.00538	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+Na+CF3COOH"	136.98208
"1583927"	834.97932	"C18520"	"Flubendiamide"	"C23H22F7IN2O4S"	"682.0233"	"M+K+CF3COOH"	152.95602
"813198"	413.9456	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M"	0
"985640"	394.92721	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-H2O-H"	-19.01839
"73881"	274.956457333333	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M-3H"	-3.021828
"512349"	412.938324	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M-3H"	-3.021828
"890150"	136.974590666667	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-3H"	-3.021828
"10914"	412.938324	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M-2H"	-2.014552
"452663"	619.911124	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M-2H"	-2.014552
"828278"	205.965524	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-2H"	-2.014552
"84994"	826.883924	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M-H"	-1.007276
"526742"	1240.829524	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M-H"	-1.007276
"903450"	412.938324	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-H"	-1.007276
"59645"	843.910471	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M-2H+NH4"	16.019271
"496290"	1257.856071	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M-2H+NH4"	16.019271
"864972"	429.964871	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-2H+NH4"	16.019271
"40908"	848.865866	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M-2H+Na"	20.974666
"481561"	1262.811466	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M-2H+Na"	20.974666
"862648"	434.920266	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-2H+Na"	20.974666
"1629997"	434.920266	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Na-2H"	20.974666
"109079"	430.926663	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M-H+Cl"	33.962126
"540617"	637.899463	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M-H+Cl"	33.962126
"937412"	223.953863	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-H+Cl"	33.962126
"281195"	862.860602	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+Cl"	34.969402
"673859"	1276.806202	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+Cl"	34.969402
"1278608"	448.915002	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Cl"	34.969402
"22257"	864.839806	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M-2H+K"	36.948606
"460723"	1278.785406	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M-2H+K"	36.948606
"843992"	450.894206	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-2H+K"	36.948606
"1556910"	450.894206	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+K-2H"	36.948606
"947709"	458.943794	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-H+HCOOH"	44.998194
"368112"	872.889401	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+HCOOH-H"	44.998201
"346648"	886.905051	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+Hac-H"	59.013851
"1507644"	472.959451	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Hac-H"	59.013851
"972991"	480.925751	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-H+NaCOOH"	66.980151
"125062"	448.915002	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+2Cl"	69.938804
"560124"	655.887802	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+2Cl"	69.938804
"1023821"	241.942202	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2Cl"	69.938804
"1251782"	492.864485	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Br"	78.918885
"1313136"	494.920472	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Cl+HCOOH"	80.974872
"1321887"	516.902429	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Cl+NaCOOH"	102.956829
"914036"	526.931186	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M-H+CF3COOH"	112.985586
"1291108"	562.907864	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Cl+CF3COOH"	148.962264
"1373280"	378.932924	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H-2H2O"	-35.012676
"1386404"	396.9429	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H-H2O"	-17.0027
"295566"	828.898476	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+H"	1.007276
"686164"	1242.844076	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+H"	1.007276
"1362514"	414.952876	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H"	1.007276
"136496"	414.952876	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+2H"	2.014552
"573867"	621.925676	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+2H"	2.014552
"1049960"	207.980076	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2H"	2.014552
"216775"	276.971009333333	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+3H"	3.021828
"659009"	414.952876	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+3H"	3.021828
"1177501"	138.989142666667	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+3H"	3.021828
"438097"	845.925023	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+NH4"	18.033823
"798000"	1259.870623	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+NH4"	18.033823
"1696395"	431.979423	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+NH4"	18.033823
"341149"	423.4661495	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+H+NH4"	19.041099
"734664"	630.4389495	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+H+NH4"	19.041099
"1492089"	216.4933495	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H+NH4"	19.041099
"399876"	850.880418	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+Na"	22.989218
"761961"	1264.826018	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+Na"	22.989218
"1610060"	436.934818	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Na"	22.989218
"322285"	425.943847	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+H+Na"	23.996494
"716895"	632.916647	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+H+Na"	23.996494
"1470717"	218.971047	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H+Na"	23.996494
"1058496"	146.316456666667	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2H+Na"	25.00377
"1264548"	446.979086	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+CH3OH+H"	33.033486
"384220"	866.854358	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+K"	38.963158
"746308"	1280.799958	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+K"	38.963158
"1545080"	452.908758	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+K"	38.963158
"305537"	433.930817	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+H+K"	39.970434
"693949"	640.903617	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+H+K"	39.970434
"1450685"	226.958017	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H+K"	39.970434
"243660"	869.925026	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+ACN+H"	42.033826
"1217461"	455.979426	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+ACN+H"	42.033826
"1196969"	228.493351	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+ACN+2H"	43.041102
"194218"	872.86236	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+2Na-H"	44.97116
"637057"	1286.80796	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+2Na-H"	44.97116
"1131566"	458.91676	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2Na-H"	44.97116
"173520"	436.934818	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+2Na"	45.978436
"612854"	643.907618	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+2Na"	45.978436
"1115703"	229.962018	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2Na"	45.978436
"1400236"	153.643770666667	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H+2Na"	46.985712
"1430893"	460.958346	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H+HCOOH"	47.012746
"220014"	441.96784	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+3H2O+2H"	56.04448
"1508590"	475.01039	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+IsoProp+H"	61.06479
"408977"	444.921788	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+Na+K"	61.952376
"776633"	651.894588	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+Na+K"	61.952376
"1667859"	237.948988	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Na+K"	61.952376
"253649"	891.906968	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+ACN+Na"	64.015768
"1231463"	477.961368	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+ACN+Na"	64.015768
"1722172"	477.984893	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+NH4+HCOOH"	64.039293
"1191903"	160.971084666667	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+3Na"	68.967654
"1662888"	482.940288	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Na+HCOOH"	68.994688
"166468"	904.81024	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+2K-H"	76.91904
"603846"	1318.75584	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+2K-H"	76.91904
"1087628"	490.86464	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2K-H"	76.91904
"151734"	452.908758	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"2M+2K"	77.926316
"583030"	659.881558	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"3M+2K"	77.926316
"1073620"	245.935958	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2K"	77.926316
"1104642"	492.879192	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2K+H"	78.933592
"1336769"	492.966807	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+DMSO+H"	79.021207
"1006030"	497.005976	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2ACN+H"	83.060376
"1525492"	497.999608	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+IsoProp+Na+H"	84.054008
"990480"	249.006626	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+2ACN+2H"	84.067652
"1587338"	498.914228	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+K+HCOOH"	84.968628
"1417947"	528.945738	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+H+CF3COOH"	115.000138
"1149331"	269.519901	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+3ACN+2H"	125.094202
"1699974"	545.972285	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+NH4+CF3COOH"	132.026685
"1639637"	550.92768	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+Na+CF3COOH"	136.98208
"1584037"	566.90162	"C18521"	"Flusulfamide"	"C13H7Cl2F3N2O4S"	"413.9456"	"M+K+CF3COOH"	152.95602
"813308"	411.1237	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M"	0
"986843"	392.10531	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-H2O-H"	-19.01839
"76180"	273.075190666667	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M-3H"	-3.021828
"516833"	410.116424	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M-3H"	-3.021828
"892450"	136.033957333333	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-3H"	-3.021828
"13213"	410.116424	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M-2H"	-2.014552
"453868"	615.678274	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M-2H"	-2.014552
"829483"	204.554574	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-2H"	-2.014552
"86198"	821.240124	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M-H"	-1.007276
"527946"	1232.363824	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M-H"	-1.007276
"899185"	410.116424	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-H"	-1.007276
"53560"	838.266671	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M-2H+NH4"	16.019271
"494215"	1249.390371	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M-2H+NH4"	16.019271
"865208"	427.142971	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-2H+NH4"	16.019271
"38831"	843.222066	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M-2H+Na"	20.974666
"482764"	1254.345766	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M-2H+Na"	20.974666
"862393"	432.098366	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-2H+Na"	20.974666
"1626826"	432.098366	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Na-2H"	20.974666
"109310"	428.104763	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M-H+Cl"	33.962126
"540727"	633.666613	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M-H+Cl"	33.962126
"937522"	222.542913	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-H+Cl"	33.962126
"281547"	857.216802	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+Cl"	34.969402
"674819"	1268.340502	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+Cl"	34.969402
"1278718"	446.093102	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Cl"	34.969402
"22367"	859.196006	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M-2H+K"	36.948606
"460833"	1270.319706	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M-2H+K"	36.948606
"844102"	448.072306	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-2H+K"	36.948606
"1557020"	448.072306	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+K-2H"	36.948606
"947819"	456.121894	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-H+HCOOH"	44.998194
"369315"	867.245601	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+HCOOH-H"	44.998201
"347729"	881.261251	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+Hac-H"	59.013851
"1508324"	470.137551	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Hac-H"	59.013851
"972859"	478.103851	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-H+NaCOOH"	66.980151
"124319"	446.093102	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+2Cl"	69.938804
"556954"	651.654952	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+2Cl"	69.938804
"1026846"	240.531252	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2Cl"	69.938804
"1246424"	490.042585	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Br"	78.918885
"1309966"	492.098572	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Cl+HCOOH"	80.974872
"1324183"	514.080529	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Cl+NaCOOH"	102.956829
"918520"	524.109286	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M-H+CF3COOH"	112.985586
"1289761"	560.085964	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Cl+CF3COOH"	148.962264
"1373390"	376.111024	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H-2H2O"	-35.012676
"1388700"	394.121	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H-H2O"	-17.0027
"286562"	823.254676	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+H"	1.007276
"679714"	1234.378376	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+H"	1.007276
"1357156"	412.130976	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H"	1.007276
"130043"	412.130976	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+2H"	2.014552
"570697"	617.692826	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+2H"	2.014552
"1043871"	206.569126	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2H"	2.014552
"217250"	275.089742666667	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+3H"	3.021828
"655713"	412.130976	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+3H"	3.021828
"1174569"	138.048509333333	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+3H"	3.021828
"437841"	840.281223	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+NH4"	18.033823
"798837"	1251.404923	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+NH4"	18.033823
"1688969"	429.157523	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+NH4"	18.033823
"333968"	420.6442495	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+H+NH4"	19.041099
"728578"	626.2060995	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+H+NH4"	19.041099
"1486771"	215.0823995	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H+NH4"	19.041099
"399981"	845.236618	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+Na"	22.989218
"762071"	1256.360318	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+Na"	22.989218
"1605797"	434.112918	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Na"	22.989218
"323488"	423.121947	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+H+Na"	23.996494
"715910"	628.683797	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+H+Na"	23.996494
"1467546"	217.560097	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H+Na"	23.996494
"1058605"	145.375823333333	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2H+Na"	25.00377
"1263565"	444.157186	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+CH3OH+H"	33.033486
"384330"	861.210558	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+K"	38.963158
"743137"	1272.334258	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+K"	38.963158
"1544096"	450.086858	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+K"	38.963158
"304553"	431.108917	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+H+K"	39.970434
"695881"	636.670767	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+H+K"	39.970434
"1448972"	225.547067	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H+K"	39.970434
"242677"	864.281226	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+ACN+H"	42.033826
"1218664"	453.157526	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+ACN+H"	42.033826
"1200361"	227.082401	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+ACN+2H"	43.041102
"195784"	867.21856	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+2Na-H"	44.97116
"635345"	1278.34226	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+2Na-H"	44.97116
"1131676"	456.09486	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2Na-H"	44.97116
"173173"	434.112918	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+2Na"	45.978436
"614163"	639.674768	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+2Na"	45.978436
"1115771"	228.551068	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2Na"	45.978436
"1401440"	152.703137333333	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H+2Na"	46.985712
"1430313"	458.136446	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H+HCOOH"	47.012746
"220126"	439.14594	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+3H2O+2H"	56.04448
"1508595"	472.18849	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+IsoProp+H"	61.06479
"408892"	442.099888	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+Na+K"	61.952376
"777107"	647.661738	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+Na+K"	61.952376
"1667241"	236.538038	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Na+K"	61.952376
"256677"	886.263168	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+ACN+Na"	64.015768
"1236679"	475.139468	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+ACN+Na"	64.015768
"1725564"	475.162993	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+NH4+HCOOH"	64.039293
"1191285"	160.030451333333	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+3Na"	68.967654
"1662998"	480.118388	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Na+HCOOH"	68.994688
"165484"	899.16644	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+2K-H"	76.91904
"599947"	1310.29014	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+2K-H"	76.91904
"1086647"	488.04274	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2K-H"	76.91904
"142612"	450.086858	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"2M+2K"	77.926316
"582289"	655.648708	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"3M+2K"	77.926316
"1073730"	244.525008	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2K"	77.926316
"1102566"	490.057292	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2K+H"	78.933592
"1335907"	490.144907	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+DMSO+H"	79.021207
"1006749"	494.184076	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2ACN+H"	83.060376
"1524195"	495.177708	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+IsoProp+Na+H"	84.054008
"989986"	247.595676	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+2ACN+2H"	84.067652
"1588019"	496.092328	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+K+HCOOH"	84.968628
"1417693"	526.123838	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+H+CF3COOH"	115.000138
"1148712"	268.108951	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+3ACN+2H"	125.094202
"1699356"	543.150385	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+NH4+CF3COOH"	132.026685
"1639747"	548.10578	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+Na+CF3COOH"	136.98208
"1584147"	564.07972	"C18522"	"Mandipropamid"	"C23H22ClNO4"	"411.1237"	"M+K+CF3COOH"	152.95602
"814511"	506.1177	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M"	0
"985860"	487.09931	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-H2O-H"	-19.01839
"75197"	336.404524	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M-3H"	-3.021828
"515852"	505.110424	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M-3H"	-3.021828
"893655"	167.698624	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-3H"	-3.021828
"11135"	505.110424	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M-2H"	-2.014552
"450700"	758.169274	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M-2H"	-2.014552
"825224"	252.051574	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-2H"	-2.014552
"86309"	1011.228124	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M-H"	-1.007276
"521495"	1517.345824	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M-H"	-1.007276
"901481"	505.110424	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-H"	-1.007276
"51119"	1028.254671	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M-2H+NH4"	16.019271
"492502"	1534.372371	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M-2H+NH4"	16.019271
"864425"	522.136971	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-2H+NH4"	16.019271
"38212"	1033.210066	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M-2H+Na"	20.974666
"481781"	1539.327766	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M-2H+Na"	20.974666
"858494"	527.092366	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-2H+Na"	20.974666
"1625843"	527.092366	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Na-2H"	20.974666
"103465"	523.098763	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M-H+Cl"	33.962126
"543026"	776.157613	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M-H+Cl"	33.962126
"934352"	270.039913	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-H+Cl"	33.962126
"279474"	1047.204802	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+Cl"	34.969402
"672986"	1553.322502	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+Cl"	34.969402
"1278828"	541.087102	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Cl"	34.969402
"22477"	1049.184006	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M-2H+K"	36.948606
"464224"	1555.301706	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M-2H+K"	36.948606
"836559"	543.066306	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-2H+K"	36.948606
"1564422"	543.066306	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+K-2H"	36.948606
"956680"	551.115894	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-H+HCOOH"	44.998194
"368333"	1057.233601	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+HCOOH-H"	44.998201
"353309"	1071.249251	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+Hac-H"	59.013851
"1507983"	565.131551	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Hac-H"	59.013851
"973701"	573.097851	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-H+NaCOOH"	66.980151
"120785"	541.087102	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+2Cl"	69.938804
"557066"	794.145952	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+2Cl"	69.938804
"1024771"	288.028252	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2Cl"	69.938804
"1242161"	585.036585	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Br"	78.918885
"1306797"	587.092572	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Cl+HCOOH"	80.974872
"1323199"	609.074529	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Cl+NaCOOH"	102.956829
"919724"	619.103286	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M-H+CF3COOH"	112.985586
"1291328"	655.079964	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Cl+CF3COOH"	148.962264
"1370220"	471.105024	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H-2H2O"	-35.012676
"1383707"	489.115	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H-H2O"	-17.0027
"283392"	1013.242676	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+H"	1.007276
"678728"	1519.360376	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+H"	1.007276
"1357266"	507.124976	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H"	1.007276
"131249"	507.124976	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+2H"	2.014552
"567890"	760.183826	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+2H"	2.014552
"1043981"	254.066126	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2H"	2.014552
"215168"	338.419076	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+3H"	3.021828
"658009"	507.124976	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+3H"	3.021828
"1171762"	169.713176	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+3H"	3.021828
"438562"	1030.269223	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+NH4"	18.033823
"800409"	1536.386923	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+NH4"	18.033823
"1687984"	524.151523	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+NH4"	18.033823
"340635"	515.6382495	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+H+NH4"	19.041099
"731965"	768.6970995	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+H+NH4"	19.041099
"1484692"	262.5793995	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H+NH4"	19.041099
"397906"	1035.224618	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+Na"	22.989218
"758903"	1541.342318	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+Na"	22.989218
"1604812"	529.106918	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Na"	22.989218
"318131"	518.115947	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+H+Na"	23.996494
"708367"	771.174797	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+H+Na"	23.996494
"1463282"	265.057097	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H+Na"	23.996494
"1058715"	177.04049	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2H+Na"	25.00377
"1264770"	539.151186	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+CH3OH+H"	33.033486
"383347"	1051.198558	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+K"	38.963158
"742154"	1557.316258	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+K"	38.963158
"1541289"	545.080858	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+K"	38.963158
"299923"	526.102917	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+H+K"	39.970434
"693804"	779.161767	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+H+K"	39.970434
"1453091"	273.044067	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H+K"	39.970434
"243880"	1054.269226	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+ACN+H"	42.033826
"1217681"	548.151526	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+ACN+H"	42.033826
"1199743"	274.579401	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+ACN+2H"	43.041102
"192613"	1057.20656	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+2Na-H"	44.97116
"629986"	1563.32426	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+2Na-H"	44.97116
"1131582"	551.08886	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2Na-H"	44.97116
"172965"	529.106918	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+2Na"	45.978436
"615611"	782.165768	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+2Na"	45.978436
"1116481"	276.048068	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2Na"	45.978436
"1398748"	184.367804	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H+2Na"	46.985712
"1430053"	553.130446	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H+HCOOH"	47.012746
"221175"	534.13994	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+3H2O+2H"	56.04448
"1509479"	567.18249	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+IsoProp+H"	61.06479
"409653"	537.093888	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+Na+K"	61.952376
"772837"	790.152738	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+Na+K"	61.952376
"1665688"	284.035038	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Na+K"	61.952376
"254235"	1076.251168	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+ACN+Na"	64.015768
"1233873"	570.133468	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+ACN+Na"	64.015768
"1723124"	570.156993	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+NH4+HCOOH"	64.039293
"1187386"	191.695118	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+3Na"	68.967654
"1657643"	575.112388	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Na+HCOOH"	68.994688
"164504"	1089.15444	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+2K-H"	76.91904
"597168"	1595.27214	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+2K-H"	76.91904
"1086392"	583.03674	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2K-H"	76.91904
"141627"	545.080858	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"2M+2K"	77.926316
"581669"	798.139708	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"3M+2K"	77.926316
"1068936"	292.022008	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2K"	77.926316
"1102676"	585.051292	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2K+H"	78.933592
"1336620"	585.138907	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+DMSO+H"	79.021207
"1005744"	589.178076	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2ACN+H"	83.060376
"1525352"	590.171708	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+IsoProp+Na+H"	84.054008
"990330"	295.092676	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+2ACN+2H"	84.067652
"1587020"	591.086328	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+K+HCOOH"	84.968628
"1417802"	621.117838	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+H+CF3COOH"	115.000138
"1154653"	315.605951	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+3ACN+2H"	125.094202
"1702018"	638.144385	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+NH4+CF3COOH"	132.026685
"1636576"	643.09978	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+Na+CF3COOH"	136.98208
"1584257"	659.07372	"C18523"	"Metaflumizone"	"C24H16F6N4O2"	"506.1177"	"M+K+CF3COOH"	152.95602
"814622"	274.1933	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M"	0
"989759"	255.17491	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-H2O-H"	-19.01839
"78320"	181.788257333333	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M-3H"	-3.021828
"518148"	273.186024	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M-3H"	-3.021828
"892671"	90.3904906666667	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-3H"	-3.021828
"12339"	273.186024	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M-2H"	-2.014552
"452998"	410.282674	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M-2H"	-2.014552
"831168"	136.089374	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-2H"	-2.014552
"88605"	547.379324	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M-H"	-1.007276
"520509"	821.572624	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M-H"	-1.007276
"903781"	273.186024	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-H"	-1.007276
"51593"	564.405871	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M-2H+NH4"	16.019271
"492250"	838.599171	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M-2H+NH4"	16.019271
"865062"	290.212571	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-2H+NH4"	16.019271
"37958"	569.361266	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M-2H+Na"	20.974666
"480799"	843.554566	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M-2H+Na"	20.974666
"857511"	295.167966	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-2H+Na"	20.974666
"1627046"	295.167966	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Na-2H"	20.974666
"103575"	291.174363	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M-H+Cl"	33.962126
"543136"	428.271013	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M-H+Cl"	33.962126
"934462"	154.077713	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-H+Cl"	33.962126
"280677"	583.356002	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+Cl"	34.969402
"670909"	857.549302	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+Cl"	34.969402
"1278938"	309.162702	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Cl"	34.969402
"21494"	585.335206	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M-2H+K"	36.948606
"462148"	859.528506	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M-2H+K"	36.948606
"839949"	311.141906	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-2H+K"	36.948606
"1564532"	311.141906	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+K-2H"	36.948606
"955696"	319.191494	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-H+HCOOH"	44.998194
"368443"	593.384801	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+HCOOH-H"	44.998201
"354512"	607.400451	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+Hac-H"	59.013851
"1508326"	333.207151	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Hac-H"	59.013851
"973772"	341.173451	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-H+NaCOOH"	66.980151
"117615"	309.162702	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+2Cl"	69.938804
"554988"	446.259352	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+2Cl"	69.938804
"1022692"	172.066052	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2Cl"	69.938804
"1242271"	353.112185	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Br"	78.918885
"1306907"	355.168172	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Cl+HCOOH"	80.974872
"1324402"	377.150129	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Cl+NaCOOH"	102.956829
"919834"	387.178886	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M-H+CF3COOH"	112.985586
"1289981"	423.155564	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Cl+CF3COOH"	148.962264
"1368872"	239.180624	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H-2H2O"	-35.012676
"1385640"	257.1906	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H-H2O"	-17.0027
"284231"	549.393876	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+H"	1.007276
"677745"	823.587176	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+H"	1.007276
"1362844"	275.200576	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H"	1.007276
"140595"	275.200576	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+2H"	2.014552
"578574"	412.297226	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+2H"	2.014552
"1049558"	138.103926	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2H"	2.014552
"218194"	183.802809333333	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+3H"	3.021828
"657394"	275.200576	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+3H"	3.021828
"1175155"	92.4050426666667	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+3H"	3.021828
"436966"	566.420423	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+NH4"	18.033823
"798325"	840.613723	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+NH4"	18.033823
"1688459"	292.227123	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+NH4"	18.033823
"336375"	283.7138495	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+H+NH4"	19.041099
"729889"	420.8104995	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+H+NH4"	19.041099
"1481524"	146.6171995	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H+NH4"	19.041099
"396922"	571.375818	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+Na"	22.989218
"756824"	845.569118	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+Na"	22.989218
"1606018"	297.182518	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Na"	22.989218
"315325"	286.191547	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+H+Na"	23.996494
"710663"	423.288197	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+H+Na"	23.996494
"1468860"	149.094897	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H+Na"	23.996494
"1062108"	99.7323566666667	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2H+Na"	25.00377
"1264879"	307.226786	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+CH3OH+H"	33.033486
"384548"	587.349758	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+K"	38.963158
"744450"	861.543058	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+K"	38.963158
"1543223"	313.156458	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+K"	38.963158
"300398"	294.178517	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+H+K"	39.970434
"693915"	431.275167	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+H+K"	39.970434
"1447005"	157.081867	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H+K"	39.970434
"241803"	590.420426	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+ACN+H"	42.033826
"1216700"	316.227126	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+ACN+H"	42.033826
"1197665"	158.617201	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+ACN+2H"	43.041102
"188953"	593.35776	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+2Na-H"	44.97116
"629242"	867.55106	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+2Na-H"	44.97116
"1131547"	319.16446	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2Na-H"	44.97116
"172846"	297.182518	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+2Na"	45.978436
"613043"	434.279168	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+2Na"	45.978436
"1116026"	160.085868	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2Na"	45.978436
"1398732"	107.059670666667	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H+2Na"	46.985712
"1429999"	321.206046	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H+HCOOH"	47.012746
"220027"	302.21554	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+3H2O+2H"	56.04448
"1510441"	335.25809	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+IsoProp+H"	61.06479
"409397"	305.169488	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+Na+K"	61.952376
"770760"	442.266138	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+Na+K"	61.952376
"1665796"	168.072838	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Na+K"	61.952376
"254345"	612.402368	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+ACN+Na"	64.015768
"1234711"	338.209068	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+ACN+Na"	64.015768
"1721410"	338.232593	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+NH4+HCOOH"	64.039293
"1185306"	114.386984666667	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+3Na"	68.967654
"1658845"	343.187988	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Na+HCOOH"	68.994688
"162789"	625.30564	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+2K-H"	76.91904
"601258"	899.49894	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+2K-H"	76.91904
"1085404"	351.11234	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2K-H"	76.91904
"145508"	313.156458	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"2M+2K"	77.926316
"586157"	450.253108	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"3M+2K"	77.926316
"1069453"	176.059808	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2K"	77.926316
"1102058"	353.126892	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2K+H"	78.933592
"1335672"	353.214507	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+DMSO+H"	79.021207
"1005719"	357.253676	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2ACN+H"	83.060376
"1524164"	358.247308	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+IsoProp+Na+H"	84.054008
"991548"	179.130476	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+2ACN+2H"	84.067652
"1587072"	359.161928	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+K+HCOOH"	84.968628
"1417914"	389.193438	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+H+CF3COOH"	115.000138
"1151484"	199.643751	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+3ACN+2H"	125.094202
"1705409"	406.219985	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+NH4+CF3COOH"	132.026685
"1636686"	411.17538	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+Na+CF3COOH"	136.98208
"1584367"	427.14932	"C18524"	"Empenthrin"	"C18H26O2"	"274.1933"	"M+K+CF3COOH"	152.95602
"813638"	368.21	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M"	0
"987173"	349.19161	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-H2O-H"	-19.01839
"77238"	244.466057333333	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M-3H"	-3.021828
"516072"	367.202724	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M-3H"	-3.021828
"893874"	121.729390666667	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-3H"	-3.021828
"10262"	367.202724	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M-2H"	-2.014552
"452013"	551.307724	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M-2H"	-2.014552
"830546"	183.097724	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-2H"	-2.014552
"91996"	735.412724	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M-H"	-1.007276
"528275"	1103.622724	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M-H"	-1.007276
"901703"	367.202724	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-H"	-1.007276
"54256"	752.439271	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M-2H+NH4"	16.019271
"494546"	1120.649271	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M-2H+NH4"	16.019271
"865416"	384.229271	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-2H+NH4"	16.019271
"39161"	757.394666	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M-2H+Na"	20.974666
"476532"	1125.604666	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M-2H+Na"	20.974666
"856528"	389.184666	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-2H+Na"	20.974666
"1623876"	389.184666	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Na-2H"	20.974666
"103685"	385.191063	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M-H+Cl"	33.962126
"543246"	569.296063	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M-H+Cl"	33.962126
"933479"	201.086063	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-H+Cl"	33.962126
"275317"	771.389402	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+Cl"	34.969402
"673086"	1139.599402	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+Cl"	34.969402
"1280141"	403.179402	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Cl"	34.969402
"19417"	773.368606	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M-2H+K"	36.948606
"461164"	1141.578606	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M-2H+K"	36.948606
"838966"	405.158606	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-2H+K"	36.948606
"1564642"	405.158606	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+K-2H"	36.948606
"954713"	413.208194	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-H+HCOOH"	44.998194
"368553"	781.418201	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+HCOOH-H"	44.998201
"351342"	795.433851	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+Hac-H"	59.013851
"1508247"	427.223851	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Hac-H"	59.013851
"973921"	435.190151	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-H+NaCOOH"	66.980151
"119911"	403.179402	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+2Cl"	69.938804
"556191"	587.284402	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+2Cl"	69.938804
"1028269"	219.074402	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2Cl"	69.938804
"1244569"	447.128885	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Br"	78.918885
"1309205"	449.184872	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Cl+HCOOH"	80.974872
"1325606"	471.166829	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Cl+NaCOOH"	102.956829
"921038"	481.195586	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M-H+CF3COOH"	112.985586
"1294465"	517.172264	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Cl+CF3COOH"	148.962264
"1370441"	333.197324	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H-2H2O"	-35.012676
"1384655"	351.2073	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H-H2O"	-17.0027
"283731"	737.427276	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+H"	1.007276
"678948"	1105.637276	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+H"	1.007276
"1358581"	369.217276	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H"	1.007276
"134750"	369.217276	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+2H"	2.014552
"578683"	553.322276	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+2H"	2.014552
"1048575"	185.112276	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2H"	2.014552
"216848"	246.480609333333	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+3H"	3.021828
"658596"	369.217276	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+3H"	3.021828
"1175264"	123.743942666667	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+3H"	3.021828
"435253"	754.453823	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+NH4"	18.033823
"792970"	1122.663823	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+NH4"	18.033823
"1690390"	386.243823	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+NH4"	18.033823
"336486"	377.7305495	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+H+NH4"	19.041099
"732188"	561.8355495	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+H+NH4"	19.041099
"1487101"	193.6255495	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H+NH4"	19.041099
"398127"	759.409218	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+Na"	22.989218
"756935"	1127.619218	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+Na"	22.989218
"1606128"	391.199218	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Na"	22.989218
"320539"	380.208247	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+H+Na"	23.996494
"709680"	564.313247	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+H+Na"	23.996494
"1472250"	196.103247	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H+Na"	23.996494
"1057845"	131.071256666667	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2H+Na"	25.00377
"1263897"	401.243486	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+CH3OH+H"	33.033486
"379556"	775.383158	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+K"	38.963158
"741280"	1143.593158	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+K"	38.963158
"1541146"	407.173158	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+K"	38.963158
"298766"	388.195217	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+H+K"	39.970434
"691507"	572.300217	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+H+K"	39.970434
"1447479"	204.090217	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H+K"	39.970434
"241913"	778.453826	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+ACN+H"	42.033826
"1217903"	410.243826	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+ACN+H"	42.033826
"1195225"	205.625551	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+ACN+2H"	43.041102
"189190"	781.39116	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+2Na-H"	44.97116
"628746"	1149.60116	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+2Na-H"	44.97116
"1132131"	413.18116	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2Na-H"	44.97116
"174209"	391.199218	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+2Na"	45.978436
"613399"	575.304218	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+2Na"	45.978436
"1116056"	207.094218	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2Na"	45.978436
"1399215"	138.398570666667	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H+2Na"	46.985712
"1431211"	415.222746	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H+HCOOH"	47.012746
"222126"	396.23224	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+3H2O+2H"	56.04448
"1510551"	429.27479	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+IsoProp+H"	61.06479
"409504"	399.186188	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+Na+K"	61.952376
"770179"	583.291188	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+Na+K"	61.952376
"1666841"	215.081188	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Na+K"	61.952376
"257008"	800.435768	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+ACN+Na"	64.015768
"1233727"	432.225768	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+ACN+Na"	64.015768
"1722613"	432.249293	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+NH4+HCOOH"	64.039293
"1185416"	145.725884666667	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+3Na"	68.967654
"1658955"	437.204688	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Na+HCOOH"	68.994688
"162899"	813.33904	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+2K-H"	76.91904
"599911"	1181.54904	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+2K-H"	76.91904
"1086611"	445.12904	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2K-H"	76.91904
"142092"	407.173158	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"2M+2K"	77.926316
"582136"	591.278158	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"3M+2K"	77.926316
"1070051"	223.068158	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2K"	77.926316
"1102168"	447.143592	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2K+H"	78.933592
"1335986"	447.231207	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+DMSO+H"	79.021207
"1005765"	451.270376	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2ACN+H"	83.060376
"1524347"	452.264008	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+IsoProp+Na+H"	84.054008
"990546"	226.138826	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+2ACN+2H"	84.067652
"1589080"	453.178628	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+K+HCOOH"	84.968628
"1418024"	483.210138	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+H+CF3COOH"	115.000138
"1154875"	246.652101	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+3ACN+2H"	125.094202
"1705519"	500.236685	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+NH4+CF3COOH"	132.026685
"1636796"	505.19208	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+Na+CF3COOH"	136.98208
"1584477"	521.16602	"C18525"	"Methoxyfenozide"	"C22H28N2O3"	"368.21"	"M+K+CF3COOH"	152.95602
"813748"	352.2151	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M"	0
"988376"	333.19671	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-H2O-H"	-19.01839
"77712"	233.802790666667	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M-3H"	-3.021828
"515088"	351.207824	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M-3H"	-3.021828
"893982"	116.397757333333	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-3H"	-3.021828
"8185"	351.207824	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M-2H"	-2.014552
"454635"	527.315374	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M-2H"	-2.014552
"831873"	175.100274	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-2H"	-2.014552
"90649"	703.422924	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M-H"	-1.007276
"530571"	1055.638024	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M-H"	-1.007276
"905092"	351.207824	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-H"	-1.007276
"56189"	720.449471	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M-2H+NH4"	16.019271
"497935"	1072.664571	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M-2H+NH4"	16.019271
"866624"	368.234371	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-2H+NH4"	16.019271
"41824"	725.404866	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M-2H+Na"	20.974666
"482111"	1077.619966	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M-2H+Na"	20.974666
"860644"	373.189766	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-2H+Na"	20.974666
"1626171"	373.189766	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Na-2H"	20.974666
"105981"	369.196163	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M-H+Cl"	33.962126
"546271"	545.303713	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M-H+Cl"	33.962126
"939058"	193.088613	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-H+Cl"	33.962126
"278342"	739.399602	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+Cl"	34.969402
"671856"	1091.614702	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+Cl"	34.969402
"1279158"	387.184502	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Cl"	34.969402
"18432"	741.378806	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M-2H+K"	36.948606
"460180"	1093.593906	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M-2H+K"	36.948606
"836889"	389.163706	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-2H+K"	36.948606
"1561472"	389.163706	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+K-2H"	36.948606
"955916"	397.213294	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-H+HCOOH"	44.998194
"368663"	749.428401	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+HCOOH-H"	44.998201
"353638"	763.444051	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+Hac-H"	59.013851
"1508234"	411.228951	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Hac-H"	59.013851
"974183"	419.195251	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-H+NaCOOH"	66.980151
"121114"	387.184502	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+2Cl"	69.938804
"556302"	563.292052	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+2Cl"	69.938804
"1030567"	211.076952	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2Cl"	69.938804
"1246864"	431.133985	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Br"	78.918885
"1311501"	433.189972	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Cl+HCOOH"	80.974872
"1327902"	455.171929	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Cl+NaCOOH"	102.956829
"922241"	465.200686	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M-H+CF3COOH"	112.985586
"1294575"	501.177364	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Cl+CF3COOH"	148.962264
"1373831"	317.202424	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H-2H2O"	-35.012676
"1390233"	335.2124	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H-H2O"	-17.0027
"285545"	705.437476	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+H"	1.007276
"683434"	1057.652576	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+H"	1.007276
"1363065"	353.222376	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H"	1.007276
"139600"	353.222376	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+2H"	2.014552
"578793"	529.329926	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+2H"	2.014552
"1046498"	177.114826	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2H"	2.014552
"218051"	235.817342666667	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+3H"	3.021828
"659316"	353.222376	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+3H"	3.021828
"1176835"	118.412309333333	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+3H"	3.021828
"435366"	722.464023	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+NH4"	18.033823
"799275"	1074.679123	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+NH4"	18.033823
"1689414"	370.248923	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+NH4"	18.033823
"339879"	361.7356495	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+H+NH4"	19.041099
"731204"	537.8431995	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+H+NH4"	19.041099
"1487213"	185.6280995	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H+NH4"	19.041099
"396050"	727.419418	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+Na"	22.989218
"759233"	1079.634518	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+Na"	22.989218
"1605144"	375.204318	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Na"	22.989218
"320649"	364.213347	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+H+Na"	23.996494
"714164"	540.320897	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+H+Na"	23.996494
"1472361"	188.105797	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H+Na"	23.996494
"1062329"	125.739623333333	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2H+Na"	25.00377
"1264009"	385.248586	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+CH3OH+H"	33.033486
"379302"	743.393358	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+K"	38.963158
"747951"	1095.608458	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+K"	38.963158
"1543080"	391.178258	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+K"	38.963158
"302808"	372.200317	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+H+K"	39.970434
"697415"	548.307867	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+H+K"	39.970434
"1447590"	196.092767	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H+K"	39.970434
"238744"	746.464026	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+ACN+H"	42.033826
"1219108"	394.248926	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+ACN+H"	42.033826
"1195454"	197.628101	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+ACN+2H"	43.041102
"191489"	749.40136	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+2Na-H"	44.97116
"630196"	1101.61646	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+2Na-H"	44.97116
"1132118"	397.18626	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2Na-H"	44.97116
"173954"	375.204318	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+2Na"	45.978436
"613875"	551.311868	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+2Na"	45.978436
"1116531"	199.096768	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2Na"	45.978436
"1399688"	133.066937333333	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H+2Na"	46.985712
"1430627"	399.227846	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H+HCOOH"	47.012746
"221259"	380.23734	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+3H2O+2H"	56.04448
"1509077"	413.27989	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+IsoProp+H"	61.06479
"409006"	383.191288	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+Na+K"	61.952376
"770165"	559.298838	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+Na+K"	61.952376
"1667680"	207.083738	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Na+K"	61.952376
"256753"	768.445968	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+ACN+Na"	64.015768
"1233837"	416.230868	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+ACN+Na"	64.015768
"1720537"	416.254393	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+NH4+HCOOH"	64.039293
"1183339"	140.394251333333	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+3Na"	68.967654
"1657971"	421.209788	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Na+HCOOH"	68.994688
"161916"	781.34924	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+2K-H"	76.91904
"600023"	1133.56434	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+2K-H"	76.91904
"1087816"	429.13414	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2K-H"	76.91904
"142689"	391.178258	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"2M+2K"	77.926316
"582369"	567.285808	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"3M+2K"	77.926316
"1069674"	215.070708	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2K"	77.926316
"1101184"	431.148692	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2K+H"	78.933592
"1336583"	431.236307	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+DMSO+H"	79.021207
"1005839"	435.275476	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2ACN+H"	83.060376
"1524574"	436.269108	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+IsoProp+Na+H"	84.054008
"990414"	218.141376	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+2ACN+2H"	84.067652
"1589190"	437.183728	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+K+HCOOH"	84.968628
"1418133"	467.215238	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+H+CF3COOH"	115.000138
"1154985"	238.654651	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+3ACN+2H"	125.094202
"1705629"	484.241785	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+NH4+CF3COOH"	132.026685
"1639092"	489.19718	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+Na+CF3COOH"	136.98208
"1584587"	505.17112	"C18526"	"Tebufenozide"	"C22H28N2O2"	"352.2151"	"M+K+CF3COOH"	152.95602
"813858"	327.0718	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M"	0
"989580"	308.05341	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-H2O-H"	-19.01839
"77822"	217.040590666667	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M-3H"	-3.021828
"514104"	326.064524	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M-3H"	-3.021828
"894092"	108.016657333333	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-3H"	-3.021828
"11575"	326.064524	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M-2H"	-2.014552
"452232"	489.600424	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M-2H"	-2.014552
"830765"	162.528624	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-2H"	-2.014552
"90029"	653.136324	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M-H"	-1.007276
"527401"	980.208124	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M-H"	-1.007276
"900830"	326.064524	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-H"	-1.007276
"53020"	670.162871	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M-2H+NH4"	16.019271
"488569"	997.234671	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M-2H+NH4"	16.019271
"865395"	343.091071	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-2H+NH4"	16.019271
"42662"	675.118266	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M-2H+Na"	20.974666
"481126"	1002.190066	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M-2H+Na"	20.974666
"860024"	348.046466	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-2H+Na"	20.974666
"1627374"	348.046466	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Na-2H"	20.974666
"107184"	344.052863	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M-H+Cl"	33.962126
"547474"	507.588763	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M-H+Cl"	33.962126
"939897"	180.516963	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-H+Cl"	33.962126
"278816"	689.113002	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+Cl"	34.969402
"671966"	1016.184802	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+Cl"	34.969402
"1279268"	362.041202	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Cl"	34.969402
"19635"	691.092206	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M-2H+K"	36.948606
"461383"	1018.164006	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M-2H+K"	36.948606
"839185"	364.020406	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-2H+K"	36.948606
"1561582"	364.020406	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+K-2H"	36.948606
"956026"	372.069994	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-H+HCOOH"	44.998194
"369866"	699.141801	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+HCOOH-H"	44.998201
"353748"	713.157451	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+Hac-H"	59.013851
"1504770"	386.085651	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Hac-H"	59.013851
"973653"	394.051951	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-H+NaCOOH"	66.980151
"119037"	362.041202	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+2Cl"	69.938804
"553130"	525.577102	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+2Cl"	69.938804
"1028490"	198.505302	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2Cl"	69.938804
"1245881"	405.990685	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Br"	78.918885
"1309424"	408.046672	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Cl+HCOOH"	80.974872
"1323638"	430.028629	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Cl+NaCOOH"	102.956829
"921257"	440.057386	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M-H+CF3COOH"	112.985586
"1291769"	476.034064	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Cl+CF3COOH"	148.962264
"1370660"	292.059124	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H-2H2O"	-35.012676
"1385968"	310.0691	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H-H2O"	-17.0027
"286018"	655.150876	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+H"	1.007276
"677346"	982.222676	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+H"	1.007276
"1358799"	328.079076	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H"	1.007276
"134968"	328.079076	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+2H"	2.014552
"572340"	491.614976	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+2H"	2.014552
"1040410"	164.543176	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2H"	2.014552
"213422"	219.055142666667	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+3H"	3.021828
"656261"	328.079076	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+3H"	3.021828
"1175483"	110.031209333333	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+3H"	3.021828
"433288"	672.177423	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+NH4"	18.033823
"800236"	999.249223	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+NH4"	18.033823
"1689525"	345.105623	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+NH4"	18.033823
"337800"	336.5923495	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+H+NH4"	19.041099
"728034"	500.1282495	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+H+NH4"	19.041099
"1486230"	173.0564495	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H+NH4"	19.041099
"396160"	677.132818	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+Na"	22.989218
"759343"	1004.204618	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+Na"	22.989218
"1603672"	350.061018	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Na"	22.989218
"317479"	339.070047	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+H+Na"	23.996494
"715367"	502.605947	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+H+Na"	23.996494
"1463724"	175.534147	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H+Na"	23.996494
"1061342"	117.358523333333	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2H+Na"	25.00377
"1261931"	360.105286	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+CH3OH+H"	33.033486
"382692"	693.106758	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+K"	38.963158
"739185"	1020.178558	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+K"	38.963158
"1546835"	366.034958	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+K"	38.963158
"299143"	347.057017	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+H+K"	39.970434
"694243"	510.592917	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+H+K"	39.970434
"1446117"	183.521117	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H+K"	39.970434
"242135"	696.177426	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+ACN+H"	42.033826
"1218126"	369.105626	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+ACN+H"	42.033826
"1196174"	185.056451	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+ACN+2H"	43.041102
"189531"	699.11476	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+2Na-H"	44.97116
"630793"	1026.18656	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+2Na-H"	44.97116
"1131430"	372.04296	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2Na-H"	44.97116
"174672"	350.061018	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+2Na"	45.978436
"614107"	513.596918	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+2Na"	45.978436
"1117742"	186.525118	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2Na"	45.978436
"1400165"	124.685837333333	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H+2Na"	46.985712
"1431062"	374.084546	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H+HCOOH"	47.012746
"222343"	355.09404	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+3H2O+2H"	56.04448
"1509310"	388.13659	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+IsoProp+H"	61.06479
"409360"	358.047988	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+Na+K"	61.952376
"771449"	521.583888	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+Na+K"	61.952376
"1668883"	194.512088	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Na+K"	61.952376
"255769"	718.159368	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+ACN+Na"	64.015768
"1229207"	391.087568	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+ACN+Na"	64.015768
"1721739"	391.111093	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+NH4+HCOOH"	64.039293
"1183449"	132.013151333333	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+3Na"	68.967654
"1658082"	396.066488	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Na+HCOOH"	68.994688
"166037"	731.06264	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+2K-H"	76.91904
"605601"	1058.13444	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+2K-H"	76.91904
"1089019"	403.99084	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2K-H"	76.91904
"142920"	366.034958	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"2M+2K"	77.926316
"582964"	529.570858	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"3M+2K"	77.926316
"1071002"	202.499058	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2K"	77.926316
"1100804"	406.005392	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2K+H"	78.933592
"1335968"	406.093007	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+DMSO+H"	79.021207
"1005876"	410.132176	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2ACN+H"	83.060376
"1524806"	411.125808	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+IsoProp+Na+H"	84.054008
"990405"	205.569726	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+2ACN+2H"	84.067652
"1590392"	412.040428	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+K+HCOOH"	84.968628
"1418243"	442.071938	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+H+CF3COOH"	115.000138
"1151814"	226.083001	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+3ACN+2H"	125.094202
"1705739"	459.098485	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+NH4+CF3COOH"	132.026685
"1639202"	464.05388	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+Na+CF3COOH"	136.98208
"1584697"	480.02782	"C18527"	"Fluazifop"	"C15H12F3NO4"	"327.0718"	"M+K+CF3COOH"	152.95602
"812875"	200.024	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M"	0
"987139"	181.00561	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-H2O-H"	-19.01839
"74653"	132.342057333333	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M-3H"	-3.021828
"512028"	199.016724	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M-3H"	-3.021828
"889830"	65.6673906666667	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-3H"	-3.021828
"11686"	199.016724	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M-2H"	-2.014552
"452343"	299.028724	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M-2H"	-2.014552
"829053"	99.004724	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-2H"	-2.014552
"87952"	399.040724	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M-H"	-1.007276
"525326"	599.064724	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M-H"	-1.007276
"904221"	199.016724	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-H"	-1.007276
"51306"	416.067271	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M-2H+NH4"	16.019271
"491960"	616.091271	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M-2H+NH4"	16.019271
"864291"	216.043271	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-2H+NH4"	16.019271
"41679"	421.022666	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M-2H+Na"	20.974666
"479049"	621.046666	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M-2H+Na"	20.974666
"854667"	220.998666	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-2H+Na"	20.974666
"1628577"	220.998666	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Na-2H"	20.974666
"109905"	217.005063	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M-H+Cl"	33.962126
"544667"	317.017063	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M-H+Cl"	33.962126
"940735"	116.993063	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-H+Cl"	33.962126
"279656"	435.017402	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+Cl"	34.969402
"672440"	635.041402	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+Cl"	34.969402
"1280471"	234.993402	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Cl"	34.969402
"19745"	436.996606	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M-2H+K"	36.948606
"460400"	637.020606	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M-2H+K"	36.948606
"837108"	236.972606	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-2H+K"	36.948606
"1563878"	236.972606	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+K-2H"	36.948606
"955044"	245.022194	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-H+HCOOH"	44.998194
"372162"	445.046201	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+HCOOH-H"	44.998201
"352764"	459.061851	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+Hac-H"	59.013851
"1501600"	259.037851	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Hac-H"	59.013851
"972424"	267.004151	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-H+NaCOOH"	66.980151
"124615"	234.993402	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+2Cl"	69.938804
"557615"	335.005402	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+2Cl"	69.938804
"1032974"	134.981402	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2Cl"	69.938804
"1248177"	278.942885	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Br"	78.918885
"1312814"	280.998872	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Cl+HCOOH"	80.974872
"1323748"	302.980829	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Cl+NaCOOH"	102.956829
"921367"	313.009586	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M-H+CF3COOH"	112.985586
"1293702"	348.986264	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Cl+CF3COOH"	148.962264
"1369677"	165.011324	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H-2H2O"	-35.012676
"1386079"	183.0213	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H-H2O"	-17.0027
"285764"	401.055276	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+H"	1.007276
"677456"	601.079276	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+H"	1.007276
"1358909"	201.031276	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H"	1.007276
"135080"	201.031276	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+2H"	2.014552
"572451"	301.043276	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+2H"	2.014552
"1039791"	101.019276	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2H"	2.014552
"214627"	134.356609333333	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+3H"	3.021828
"659289"	201.031276	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+3H"	3.021828
"1175594"	67.6819426666667	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+3H"	3.021828
"433399"	418.081823	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+NH4"	18.033823
"798765"	618.105823	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+NH4"	18.033823
"1689635"	218.057823	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+NH4"	18.033823
"335723"	209.5445495	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+H+NH4"	19.041099
"724863"	309.5565495	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+H+NH4"	19.041099
"1479778"	109.5325495	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H+NH4"	19.041099
"397365"	423.037218	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+Na"	22.989218
"760546"	623.061218	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+Na"	22.989218
"1603419"	223.013218	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Na"	22.989218
"317588"	212.022247	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+H+Na"	23.996494
"712197"	312.034247	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+H+Na"	23.996494
"1463834"	112.010247	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H+Na"	23.996494
"1061452"	75.0092566666667	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2H+Na"	25.00377
"1263133"	233.057486	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+CH3OH+H"	33.033486
"381708"	439.011158	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+K"	38.963158
"739786"	639.035158	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+K"	38.963158
"1548038"	238.987158	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+K"	38.963158
"299016"	220.009217	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+H+K"	39.970434
"693989"	320.021217	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+H+K"	39.970434
"1448175"	119.997217	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H+K"	39.970434
"245526"	442.081826	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+ACN+H"	42.033826
"1215320"	242.057826	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+ACN+H"	42.033826
"1196650"	121.532551	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+ACN+2H"	43.041102
"191344"	445.01916	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+2Na-H"	44.97116
"630541"	645.04316	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+2Na-H"	44.97116
"1133319"	244.99516	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2Na-H"	44.97116
"175880"	223.013218	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+2Na"	45.978436
"613288"	323.025218	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+2Na"	45.978436
"1116389"	123.001218	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2Na"	45.978436
"1399911"	82.3365706666667	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H+2Na"	46.985712
"1431303"	247.036746	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H+HCOOH"	47.012746
"222092"	228.04624	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+3H2O+2H"	56.04448
"1509057"	261.08879	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+IsoProp+H"	61.06479
"409477"	231.000188	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+Na+K"	61.952376
"770473"	331.012188	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+Na+K"	61.952376
"1667537"	130.988188	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Na+K"	61.952376
"256974"	464.063768	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+ACN+Na"	64.015768
"1230777"	264.039768	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+ACN+Na"	64.015768
"1720757"	264.063293	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+NH4+HCOOH"	64.039293
"1185019"	89.6638846666667	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+3Na"	68.967654
"1657100"	269.018688	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Na+HCOOH"	68.994688
"162867"	476.96704	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+2K-H"	76.91904
"598783"	676.99104	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+2K-H"	76.91904
"1085482"	276.94304	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2K-H"	76.91904
"143759"	238.987158	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"2M+2K"	77.926316
"583074"	338.999158	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"3M+2K"	77.926316
"1068496"	138.975158	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2K"	77.926316
"1100101"	278.957592	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2K+H"	78.933592
"1335828"	279.045207	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+DMSO+H"	79.021207
"1005645"	283.084376	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2ACN+H"	83.060376
"1524276"	284.078008	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+IsoProp+Na+H"	84.054008
"990401"	142.045826	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+2ACN+2H"	84.067652
"1587026"	284.992628	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+K+HCOOH"	84.968628
"1415798"	315.024138	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+H+CF3COOH"	115.000138
"1151923"	162.559101	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+3ACN+2H"	125.094202
"1705848"	332.050685	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+NH4+CF3COOH"	132.026685
"1640406"	337.00608	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+Na+CF3COOH"	136.98208
"1584807"	352.98002	"C18528"	"MCPA;(2-Methyl-4-chlorophenoxy)acetic acid"	"C9H9ClO3"	"200.024"	"M+K+CF3COOH"	152.95602
"815171"	228.0553	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M"	0
"986520"	209.03691	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-H2O-H"	-19.01839
"76586"	151.029590666667	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M-3H"	-3.021828
"515420"	227.048024	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M-3H"	-3.021828
"891034"	75.0111573333333	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-3H"	-3.021828
"11796"	227.048024	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M-2H"	-2.014552
"450266"	341.075674	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M-2H"	-2.014552
"829163"	113.020374	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-2H"	-2.014552
"86968"	455.103324	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M-H"	-1.007276
"524343"	683.158624	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M-H"	-1.007276
"908220"	227.048024	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-H"	-1.007276
"52147"	472.129871	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M-2H+NH4"	16.019271
"497173"	700.185171	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M-2H+NH4"	16.019271
"874973"	244.074571	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-2H+NH4"	16.019271
"35223"	477.085266	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M-2H+Na"	20.974666
"478067"	705.140566	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M-2H+Na"	20.974666
"856964"	249.029966	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-2H+Na"	20.974666
"1627594"	249.029966	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Na-2H"	20.974666
"109228"	245.036363	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M-H+Cl"	33.962126
"544777"	359.064013	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M-H+Cl"	33.962126
"940480"	131.008713	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-H+Cl"	33.962126
"279037"	491.080002	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+Cl"	34.969402
"672550"	719.135302	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+Cl"	34.969402
"1280581"	263.024702	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Cl"	34.969402
"17669"	493.059206	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M-2H+K"	36.948606
"460510"	721.114506	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M-2H+K"	36.948606
"836125"	265.003906	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-2H+K"	36.948606
"1561801"	265.003906	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+K-2H"	36.948606
"952965"	273.053494	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-H+HCOOH"	44.998194
"370085"	501.108801	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+HCOOH-H"	44.998201
"352874"	515.124451	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+Hac-H"	59.013851
"1501710"	287.069151	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Hac-H"	59.013851
"972901"	295.035451	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-H+NaCOOH"	66.980151
"124725"	263.024702	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+2Cl"	69.938804
"559912"	377.052352	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+2Cl"	69.938804
"1033084"	148.997052	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2Cl"	69.938804
"1247194"	306.974185	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Br"	78.918885
"1312924"	309.030172	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Cl+HCOOH"	80.974872
"1323858"	331.012129	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Cl+NaCOOH"	102.956829
"914917"	341.040886	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M-H+CF3COOH"	112.985586
"1294906"	377.017564	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Cl+CF3COOH"	148.962264
"1369787"	193.042624	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H-2H2O"	-35.012676
"1386189"	211.0526	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H-H2O"	-17.0027
"288063"	457.117876	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+H"	1.007276
"683764"	685.173176	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+H"	1.007276
"1361206"	229.062576	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H"	1.007276
"135190"	229.062576	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+2H"	2.014552
"572562"	343.090226	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+2H"	2.014552
"1041359"	115.034926	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2H"	2.014552
"215832"	153.044142666667	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+3H"	3.021828
"653205"	229.062576	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+3H"	3.021828
"1175704"	77.0257093333333	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+3H"	3.021828
"432417"	474.144423	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+NH4"	18.033823
"795596"	702.199723	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+NH4"	18.033823
"1694121"	246.089123	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+NH4"	18.033823
"333649"	237.5758495	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+H+NH4"	19.041099
"729351"	351.6034995	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+H+NH4"	19.041099
"1484265"	123.5481995	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H+NH4"	19.041099
"400757"	479.099818	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+Na"	22.989218
"756283"	707.155118	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+Na"	22.989218
"1606568"	251.044518	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Na"	22.989218
"318792"	240.053547	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+H+Na"	23.996494
"716681"	354.081197	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+H+Na"	23.996494
"1466132"	126.025897	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H+Na"	23.996494
"1058285"	84.3530233333333	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2H+Na"	25.00377
"1261423"	261.088786	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+CH3OH+H"	33.033486
"381819"	495.073758	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+K"	38.963158
"739533"	723.129058	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+K"	38.963158
"1547055"	267.018458	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+K"	38.963158
"299120"	248.040517	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+H+K"	39.970434
"697379"	362.068167	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+H+K"	39.970434
"1450108"	134.012867	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H+K"	39.970434
"244542"	498.144426	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+ACN+H"	42.033826
"1217254"	270.089126	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+ACN+H"	42.033826
"1198219"	135.548201	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+ACN+2H"	43.041102
"196192"	501.08176	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+2Na-H"	44.97116
"629676"	729.13706	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+2Na-H"	44.97116
"1132699"	273.02646	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2Na-H"	44.97116
"174898"	251.044518	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+2Na"	45.978436
"614087"	365.072168	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+2Na"	45.978436
"1117231"	137.016868	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2Na"	45.978436
"1400754"	91.6803373333333	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H+2Na"	46.985712
"1432871"	275.068046	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H+HCOOH"	47.012746
"221836"	256.07754	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+3H2O+2H"	56.04448
"1509897"	289.12009	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+IsoProp+H"	61.06479
"409951"	259.031488	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+Na+K"	61.952376
"775323"	373.059138	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+Na+K"	61.952376
"1666919"	145.003838	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Na+K"	61.952376
"253439"	520.126368	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+ACN+Na"	64.015768
"1229429"	292.071068	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+ACN+Na"	64.015768
"1714670"	292.094593	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+NH4+HCOOH"	64.039293
"1178688"	99.0076513333333	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+3Na"	68.967654
"1652470"	297.049988	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Na+HCOOH"	68.994688
"157994"	533.02964	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+2K-H"	76.91904
"599624"	761.08494	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+2K-H"	76.91904
"1084408"	304.97434	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2K-H"	76.91904
"141474"	267.018458	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"2M+2K"	77.926316
"581837"	381.046108	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"3M+2K"	77.926316
"1070249"	152.990808	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2K"	77.926316
"1100406"	306.988892	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2K+H"	78.933592
"1336185"	307.076507	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+DMSO+H"	79.021207
"1005685"	311.115676	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2ACN+H"	83.060376
"1524792"	312.109308	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+IsoProp+Na+H"	84.054008
"989976"	156.061476	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+2ACN+2H"	84.067652
"1587035"	313.023928	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+K+HCOOH"	84.968628
"1414327"	343.055438	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+H+CF3COOH"	115.000138
"1150937"	176.574751	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+3ACN+2H"	125.094202
"1704864"	360.081985	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+NH4+CF3COOH"	132.026685
"1640516"	365.03738	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+Na+CF3COOH"	136.98208
"1584917"	381.01132	"C18529"	"2-Methyl-4-chlorophenoxybutyric acid;MCPB"	"C11H13ClO3"	"228.0553"	"M+K+CF3COOH"	152.95602
"805440"	372.0877	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M"	0
"985536"	353.06931	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-H2O-H"	-19.01839
"77547"	247.051190666667	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M-3H"	-3.021828
"514437"	371.080424	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M-3H"	-3.021828
"893330"	123.021957333333	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-3H"	-3.021828
"9719"	371.080424	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M-2H"	-2.014552
"450376"	557.124274	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M-2H"	-2.014552
"827084"	185.036574	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-2H"	-2.014552
"83068"	743.168124	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M-H"	-1.007276
"525546"	1115.255824	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M-H"	-1.007276
"903348"	371.080424	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-H"	-1.007276
"47306"	760.194671	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M-2H+NH4"	16.019271
"489628"	1132.282371	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M-2H+NH4"	16.019271
"873992"	388.106971	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-2H+NH4"	16.019271
"36423"	765.150066	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M-2H+Na"	20.974666
"478177"	1137.237766	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M-2H+Na"	20.974666
"852698"	393.062366	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-2H+Na"	20.974666
"1627704"	393.062366	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Na-2H"	20.974666
"106421"	389.068763	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M-H+Cl"	33.962126
"545980"	575.112613	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M-H+Cl"	33.962126
"939497"	203.024913	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-H+Cl"	33.962126
"276960"	779.144802	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+Cl"	34.969402
"669380"	1151.232502	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+Cl"	34.969402
"1280691"	407.057102	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Cl"	34.969402
"17170"	781.124006	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M-2H+K"	36.948606
"460620"	1153.211706	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M-2H+K"	36.948606
"833438"	409.036306	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-2H+K"	36.948606
"1563003"	409.036306	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+K-2H"	36.948606
"944325"	417.085894	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-H+HCOOH"	44.998194
"363634"	789.173601	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+HCOOH-H"	44.998201
"352984"	803.189251	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+Hac-H"	59.013851
"1501820"	431.101551	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Hac-H"	59.013851
"971551"	439.067851	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-H+NaCOOH"	66.980151
"125203"	407.057102	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+2Cl"	69.938804
"560022"	593.100952	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+2Cl"	69.938804
"1033194"	221.013252	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2Cl"	69.938804
"1246212"	451.006585	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Br"	78.918885
"1313033"	453.062572	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Cl+HCOOH"	80.974872
"1323969"	475.044529	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Cl+NaCOOH"	102.956829
"915027"	485.073286	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M-H+CF3COOH"	112.985586
"1295015"	521.049964	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Cl+CF3COOH"	148.962264
"1368804"	337.075024	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H-2H2O"	-35.012676
"1386299"	355.085	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H-H2O"	-17.0027
"285985"	745.182676	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+H"	1.007276
"680593"	1117.270376	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+H"	1.007276
"1363503"	373.094976	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H"	1.007276
"136391"	373.094976	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+2H"	2.014552
"572672"	559.138826	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+2H"	2.014552
"1042562"	187.051126	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2H"	2.014552
"215942"	249.065742666667	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+3H"	3.021828
"656231"	373.094976	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+3H"	3.021828
"1175450"	125.036509333333	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+3H"	3.021828
"431434"	762.209223	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+NH4"	18.033823
"789146"	1134.296923	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+NH4"	18.033823
"1688762"	390.121523	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+NH4"	18.033823
"332664"	381.6082495	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+H+NH4"	19.041099
"732741"	567.6520995	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+H+NH4"	19.041099
"1487655"	195.5643995	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H+NH4"	19.041099
"400868"	767.164618	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+Na"	22.989218
"757121"	1139.252318	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+Na"	22.989218
"1603881"	395.076918	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Na"	22.989218
"317809"	384.085947	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+H+Na"	23.996494
"710231"	570.129797	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+H+Na"	23.996494
"1465148"	198.042097	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H+Na"	23.996494
"1058396"	132.363823333333	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2H+Na"	25.00377
"1260441"	405.121186	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+CH3OH+H"	33.033486
"379013"	783.138558	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+K"	38.963158
"747299"	1155.226258	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+K"	38.963158
"1548256"	411.050858	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+K"	38.963158
"304339"	392.072917	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+H+K"	39.970434
"696761"	578.116767	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+H+K"	39.970434
"1447300"	206.029067	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H+K"	39.970434
"241372"	786.209226	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+ACN+H"	42.033826
"1216634"	414.121526	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+ACN+H"	42.033826
"1200152"	207.564401	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+ACN+2H"	43.041102
"195574"	789.14656	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+2Na-H"	44.97116
"630029"	1161.23426	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+2Na-H"	44.97116
"1132079"	417.05886	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2Na-H"	44.97116
"175372"	395.076918	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+2Na"	45.978436
"614927"	581.120768	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+2Na"	45.978436
"1118066"	209.033068	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2Na"	45.978436
"1400863"	139.691137333333	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H+2Na"	46.985712
"1432616"	419.100446	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H+HCOOH"	47.012746
"221579"	400.10994	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+3H2O+2H"	56.04448
"1510370"	433.15249	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+IsoProp+H"	61.06479
"410790"	403.063888	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+Na+K"	61.952376
"774339"	589.107738	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+Na+K"	61.952376
"1666661"	217.020038	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Na+K"	61.952376
"254643"	808.191168	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+ACN+Na"	64.015768
"1231361"	436.103468	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+ACN+Na"	64.015768
"1718425"	436.126993	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+NH4+HCOOH"	64.039293
"1179041"	147.018451333333	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+3Na"	68.967654
"1652217"	441.082388	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Na+HCOOH"	68.994688
"158711"	821.09444	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+2K-H"	76.91904
"599734"	1193.18214	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+2K-H"	76.91904
"1084726"	449.00674	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2K-H"	76.91904
"141654"	411.050858	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"2M+2K"	77.926316
"581874"	597.094708	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"3M+2K"	77.926316
"1068853"	225.007008	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2K"	77.926316
"1100395"	451.021292	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2K+H"	78.933592
"1335851"	451.108907	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+DMSO+H"	79.021207
"1005666"	455.148076	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2ACN+H"	83.060376
"1524783"	456.141708	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+IsoProp+Na+H"	84.054008
"990045"	228.077676	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+2ACN+2H"	84.067652
"1587087"	457.056328	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+K+HCOOH"	84.968628
"1414511"	487.087838	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+H+CF3COOH"	115.000138
"1148860"	248.590951	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+3ACN+2H"	125.094202
"1698412"	504.114385	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+NH4+CF3COOH"	132.026685
"1640626"	509.06978	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+Na+CF3COOH"	136.98208
"1585027"	525.04372	"C18530"	"Quizalofop-ethyl"	"C19H17ClN2O4"	"372.0877"	"M+K+CF3COOH"	152.95602
"814298"	323.048	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M"	0
"988927"	304.02961	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-H2O-H"	-19.01839
"78022"	214.358057333333	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M-3H"	-3.021828
"514547"	322.040724	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M-3H"	-3.021828
"895264"	106.675390666667	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-3H"	-3.021828
"14203"	322.040724	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M-2H"	-2.014552
"455552"	483.564724	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M-2H"	-2.014552
"832541"	160.516724	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-2H"	-2.014552
"86097"	645.088724	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M-H"	-1.007276
"523471"	968.136724	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M-H"	-1.007276
"900178"	322.040724	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-H"	-1.007276
"52002"	662.115271	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M-2H+NH4"	16.019271
"496301"	985.163271	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M-2H+NH4"	16.019271
"878357"	339.067271	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-2H+NH4"	16.019271
"38725"	667.070666	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M-2H+Na"	20.974666
"478288"	990.118666	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M-2H+Na"	20.974666
"852808"	344.022666	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-2H+Na"	20.974666
"1623438"	344.022666	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Na-2H"	20.974666
"103248"	340.029063	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M-H+Cl"	33.962126
"541715"	501.553063	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M-H+Cl"	33.962126
"935229"	178.505063	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-H+Cl"	33.962126
"277069"	681.065402	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+Cl"	34.969402
"667300"	1004.113402	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+Cl"	34.969402
"1279709"	358.017402	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Cl"	34.969402
"28464"	683.044606	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M-2H+K"	36.948606
"469117"	1006.092606	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M-2H+K"	36.948606
"837439"	359.996606	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-2H+K"	36.948606
"1562022"	359.996606	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+K-2H"	36.948606
"943342"	368.046194	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-H+HCOOH"	44.998194
"365933"	691.094201	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+HCOOH-H"	44.998201
"357107"	705.109851	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+Hac-H"	59.013851
"1506305"	382.061851	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Hac-H"	59.013851
"972274"	390.028151	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-H+NaCOOH"	66.980151
"123495"	358.017402	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+2Cl"	69.938804
"561956"	519.541402	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+2Cl"	69.938804
"1030025"	196.493402	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2Cl"	69.938804
"1249602"	401.966885	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Br"	78.918885
"1315332"	404.022872	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Cl+HCOOH"	80.974872
"1326266"	426.004829	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Cl+NaCOOH"	102.956829
"922791"	436.033586	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M-H+CF3COOH"	112.985586
"1300592"	472.010264	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Cl+CF3COOH"	148.962264
"1373287"	288.035324	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H-2H2O"	-35.012676
"1387503"	306.0453	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H-H2O"	-17.0027
"295936"	647.103276	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+H"	1.007276
"690911"	970.151276	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+H"	1.007276
"1366170"	324.055276	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H"	1.007276
"139785"	324.055276	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+2H"	2.014552
"578980"	485.579276	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+2H"	2.014552
"1047048"	162.531276	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2H"	2.014552
"213863"	216.372609333333	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+3H"	3.021828
"656341"	324.055276	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+3H"	3.021828
"1177382"	108.689942666667	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+3H"	3.021828
"438832"	664.129823	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+NH4"	18.033823
"793631"	987.177823	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+NH4"	18.033823
"1686684"	341.081823	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+NH4"	18.033823
"339335"	332.5685495	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+H+NH4"	19.041099
"732851"	494.0925495	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+H+NH4"	19.041099
"1489952"	171.0445495	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H+NH4"	19.041099
"403164"	669.085218	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+Na"	22.989218
"761971"	992.133218	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+Na"	22.989218
"1610069"	346.037218	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Na"	22.989218
"322294"	335.046247	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+H+Na"	23.996494
"714717"	496.570247	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+H+Na"	23.996494
"1466354"	173.522247	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H+Na"	23.996494
"1063974"	116.017256666667	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2H+Na"	25.00377
"1262372"	356.081486	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+CH3OH+H"	33.033486
"387510"	685.059158	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+K"	38.963158
"746315"	1008.107158	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+K"	38.963158
"1551648"	362.011158	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+K"	38.963158
"308827"	343.033217	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+H+K"	39.970434
"700154"	504.557217	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+H+K"	39.970434
"1457620"	181.509217	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H+K"	39.970434
"243674"	688.129826	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+ACN+H"	42.033826
"1219662"	365.081826	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+ACN+H"	42.033826
"1198441"	183.044551	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+ACN+2H"	43.041102
"190217"	691.06716	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+2Na-H"	44.97116
"632694"	1014.11516	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+2Na-H"	44.97116
"1134741"	368.01916	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2Na-H"	44.97116
"176942"	346.037218	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+2Na"	45.978436
"616866"	507.561218	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+2Na"	45.978436
"1117451"	184.513218	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2Na"	45.978436
"1403163"	123.344570666667	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H+2Na"	46.985712
"1430782"	370.060746	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H+HCOOH"	47.012746
"221693"	351.07024	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+3H2O+2H"	56.04448
"1513400"	384.11279	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+IsoProp+H"	61.06479
"413455"	354.024188	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+Na+K"	61.952376
"775178"	515.548188	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+Na+K"	61.952376
"1670056"	192.500188	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Na+K"	61.952376
"262771"	710.111768	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+ACN+Na"	64.015768
"1234387"	387.063768	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+ACN+Na"	64.015768
"1721088"	387.087293	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+NH4+HCOOH"	64.039293
"1184257"	130.671884666667	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+3Na"	68.967654
"1658524"	392.042688	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Na+HCOOH"	68.994688
"163198"	723.01504	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+2K-H"	76.91904
"603855"	1046.06304	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+2K-H"	76.91904
"1085816"	399.96704	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2K-H"	76.91904
"144090"	362.011158	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"2M+2K"	77.926316
"583652"	523.535158	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"3M+2K"	77.926316
"1069254"	200.487158	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2K"	77.926316
"1106842"	401.981592	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2K+H"	78.933592
"1337756"	402.069207	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+DMSO+H"	79.021207
"1006076"	406.108376	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2ACN+H"	83.060376
"1524769"	407.102008	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+IsoProp+Na+H"	84.054008
"990408"	203.557826	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+2ACN+2H"	84.067652
"1587177"	408.016628	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+K+HCOOH"	84.968628
"1414302"	438.048138	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+H+CF3COOH"	115.000138
"1147512"	224.071101	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+3ACN+2H"	125.094202
"1699616"	455.074685	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+NH4+CF3COOH"	132.026685
"1636361"	460.03008	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+Na+CF3COOH"	136.98208
"1585137"	476.00402	"C18531"	"Clomeprop"	"C16H15Cl2NO2"	"323.048"	"M+K+CF3COOH"	152.95602
"815751"	238.0509	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M"	0
"985761"	219.03251	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-H2O-H"	-19.01839
"74731"	157.693324	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M-3H"	-3.021828
"511375"	237.043624	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M-3H"	-3.021828
"889176"	78.343024	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-3H"	-3.021828
"5565"	237.043624	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M-2H"	-2.014552
"454605"	356.069074	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M-2H"	-2.014552
"831677"	118.018174	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-2H"	-2.014552
"94263"	475.094524	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M-H"	-1.007276
"532329"	713.145424	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M-H"	-1.007276
"903571"	237.043624	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-H"	-1.007276
"59039"	492.121071	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M-2H+NH4"	16.019271
"502004"	730.171971	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M-2H+NH4"	16.019271
"874214"	254.070171	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-2H+NH4"	16.019271
"46734"	497.076466	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M-2H+Na"	20.974666
"482774"	735.127366	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M-2H+Na"	20.974666
"856200"	259.025566	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-2H+Na"	20.974666
"1623548"	259.025566	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Na-2H"	20.974666
"105546"	255.031963	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M-H+Cl"	33.962126
"546201"	374.057413	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M-H+Cl"	33.962126
"938620"	136.006513	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-H+Cl"	33.962126
"277180"	511.071202	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+Cl"	34.969402
"669599"	749.122102	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+Cl"	34.969402
"1285287"	273.020302	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Cl"	34.969402
"27842"	513.050406	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M-2H+K"	36.948606
"469589"	751.101306	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M-2H+K"	36.948606
"845205"	274.999506	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-2H+K"	36.948606
"1567235"	274.999506	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+K-2H"	36.948606
"950014"	283.049094	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-H+HCOOH"	44.998194
"375520"	521.100001	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+HCOOH-H"	44.998201
"357217"	535.115651	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+Hac-H"	59.013851
"1506415"	297.064751	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Hac-H"	59.013851
"972875"	305.031051	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-H+NaCOOH"	66.980151
"123240"	273.020302	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+2Cl"	69.938804
"562797"	392.045752	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+2Cl"	69.938804
"1033056"	153.994852	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2Cl"	69.938804
"1248621"	316.969785	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Br"	78.918885
"1311069"	319.025772	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Cl+HCOOH"	80.974872
"1328565"	341.007729	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Cl+NaCOOH"	102.956829
"919622"	351.036486	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M-H+CF3COOH"	112.985586
"1302163"	387.013164	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Cl+CF3COOH"	148.962264
"1373397"	203.038224	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H-2H2O"	-35.012676
"1393081"	221.0482	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H-H2O"	-17.0027
"296415"	477.109076	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+H"	1.007276
"689567"	715.159976	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+H"	1.007276
"1365916"	239.058176	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H"	1.007276
"138440"	239.058176	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+2H"	2.014552
"577270"	358.083626	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+2H"	2.014552
"1048252"	120.032726	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2H"	2.014552
"217620"	159.707876	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+3H"	3.021828
"659370"	239.058176	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+3H"	3.021828
"1177619"	80.357576	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+3H"	3.021828
"439429"	494.135623	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+NH4"	18.033823
"799577"	732.186523	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+NH4"	18.033823
"1693356"	256.084723	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+NH4"	18.033823
"343092"	247.5714495	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+H+NH4"	19.041099
"734057"	366.5968995	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+H+NH4"	19.041099
"1485690"	128.5459995	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H+NH4"	19.041099
"405462"	499.091018	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+Na"	22.989218
"764271"	737.141918	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+Na"	22.989218
"1612368"	261.040118	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Na"	22.989218
"324593"	250.049147	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+H+Na"	23.996494
"713734"	369.074597	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+H+Na"	23.996494
"1466462"	131.023697	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H+Na"	23.996494
"1066270"	87.68489	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2H+Na"	25.00377
"1265762"	271.084386	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+CH3OH+H"	33.033486
"386524"	515.064958	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+K"	38.963158
"751894"	753.115858	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+K"	38.963158
"1553948"	277.014058	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+K"	38.963158
"311123"	258.036117	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+H+K"	39.970434
"706461"	377.061567	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+H+K"	39.970434
"1455183"	139.010667	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H+K"	39.970434
"245971"	518.135626	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+ACN+H"	42.033826
"1221959"	280.084726	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+ACN+H"	42.033826
"1197824"	140.546001	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+ACN+2H"	43.041102
"195434"	521.07296	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+2Na-H"	44.97116
"629647"	759.12386	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+2Na-H"	44.97116
"1132299"	283.02206	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2Na-H"	44.97116
"177780"	261.040118	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+2Na"	45.978436
"616611"	380.065568	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+2Na"	45.978436
"1117315"	142.014668	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2Na"	45.978436
"1401455"	95.012204	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H+2Na"	46.985712
"1432836"	285.063646	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H+HCOOH"	47.012746
"220951"	266.07314	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+3H2O+2H"	56.04448
"1511325"	299.11569	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+IsoProp+H"	61.06479
"409185"	269.027088	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+Na+K"	61.952376
"775653"	388.052538	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+Na+K"	61.952376
"1671256"	150.001638	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Na+K"	61.952376
"257411"	540.117568	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+ACN+Na"	64.015768
"1234496"	302.066668	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+ACN+Na"	64.015768
"1722291"	302.090193	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+NH4+HCOOH"	64.039293
"1189835"	102.339518	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+3Na"	68.967654
"1658634"	307.045588	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Na+HCOOH"	68.994688
"168776"	553.02084	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+2K-H"	76.91904
"608340"	791.07174	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+2K-H"	76.91904
"1092852"	314.96994	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2K-H"	76.91904
"147483"	277.014058	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"2M+2K"	77.926316
"582546"	396.039508	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"3M+2K"	77.926316
"1074835"	157.988608	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2K"	77.926316
"1109138"	316.984492	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2K+H"	78.933592
"1337869"	317.072107	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+DMSO+H"	79.021207
"1007005"	321.111276	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2ACN+H"	83.060376
"1527803"	322.104908	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+IsoProp+Na+H"	84.054008
"990360"	161.059276	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+2ACN+2H"	84.067652
"1587459"	323.019528	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+K+HCOOH"	84.968628
"1415141"	353.051038	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+H+CF3COOH"	115.000138
"1154550"	181.572551	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+3ACN+2H"	125.094202
"1703007"	370.077585	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+NH4+CF3COOH"	132.026685
"1637565"	375.03298	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+Na+CF3COOH"	136.98208
"1585247"	391.00692	"C18532"	"Ethychlozate"	"C11H11ClN2O2"	"238.0509"	"M+K+CF3COOH"	152.95602
"805770"	185.0841	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M"	0
"985870"	166.06571	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-H2O-H"	-19.01839
"74112"	122.382124	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M-3H"	-3.021828
"512576"	184.076824	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M-3H"	-3.021828
"887100"	60.687424	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-3H"	-3.021828
"14430"	184.076824	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M-2H"	-2.014552
"451799"	276.618874	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M-2H"	-2.014552
"830695"	91.534774	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-2H"	-2.014552
"90692"	369.160924	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M-H"	-1.007276
"529158"	554.245024	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M-H"	-1.007276
"901493"	184.076824	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-H"	-1.007276
"54775"	386.187471	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M-2H+NH4"	16.019271
"491420"	571.271571	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M-2H+NH4"	16.019271
"871043"	201.103371	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-2H+NH4"	16.019271
"42587"	391.142866	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M-2H+Na"	20.974666
"477416"	576.226966	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M-2H+Na"	20.974666
"851205"	206.058766	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-2H+Na"	20.974666
"1623658"	206.058766	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Na-2H"	20.974666
"100188"	202.065163	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M-H+Cl"	33.962126
"544125"	294.607213	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M-H+Cl"	33.962126
"934356"	109.523113	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-H+Cl"	33.962126
"276197"	405.137602	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+Cl"	34.969402
"669709"	590.221702	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+Cl"	34.969402
"1279930"	220.053502	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Cl"	34.969402
"24672"	407.116806	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M-2H+K"	36.948606
"468243"	592.200906	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M-2H+K"	36.948606
"840941"	222.032706	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-2H+K"	36.948606
"1562242"	222.032706	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+K-2H"	36.948606
"953404"	230.082294	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-H+HCOOH"	44.998194
"365058"	415.166401	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+HCOOH-H"	44.998201
"354410"	429.182051	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+Hac-H"	59.013851
"1505432"	244.097951	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Hac-H"	59.013851
"972621"	252.064251	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-H+NaCOOH"	66.980151
"124443"	220.053502	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+2Cl"	69.938804
"561447"	312.595552	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+2Cl"	69.938804
"1033893"	127.511452	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2Cl"	69.938804
"1248731"	264.002985	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Br"	78.918885
"1315551"	266.058972	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Cl+HCOOH"	80.974872
"1327581"	288.040929	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Cl+NaCOOH"	102.956829
"923012"	298.069686	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M-H+CF3COOH"	112.985586
"1299722"	334.046364	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Cl+CF3COOH"	148.962264
"1376788"	150.071424	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H-2H2O"	-35.012676
"1395379"	168.0814	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H-H2O"	-17.0027
"295795"	371.175476	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+H"	1.007276
"687485"	556.259576	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+H"	1.007276
"1365294"	186.091376	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H"	1.007276
"138184"	186.091376	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+2H"	2.014552
"575192"	278.633426	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+2H"	2.014552
"1045083"	93.549326	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2H"	2.014552
"218709"	124.396676	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+3H"	3.021828
"659319"	186.091376	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+3H"	3.021828
"1177241"	62.701976	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+3H"	3.021828
"438204"	388.202023	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+NH4"	18.033823
"799323"	573.286123	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+NH4"	18.033823
"1694193"	203.117923	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+NH4"	18.033823
"340651"	194.6046495	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+H+NH4"	19.041099
"731978"	287.1466995	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+H+NH4"	19.041099
"1487987"	102.0625995	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H+NH4"	19.041099
"406302"	393.157418	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+Na"	22.989218
"763288"	578.241518	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+Na"	22.989218
"1609198"	208.073318	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Na"	22.989218
"322517"	197.082347	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+H+Na"	23.996494
"717127"	289.624397	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+H+Na"	23.996494
"1468761"	104.540297	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H+Na"	23.996494
"1064194"	70.02929	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2H+Na"	25.00377
"1264779"	218.117586	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+CH3OH+H"	33.033486
"389918"	409.131358	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+K"	38.963158
"749820"	594.215458	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+K"	38.963158
"1550777"	224.047258	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+K"	38.963158
"311965"	205.069317	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+H+K"	39.970434
"701468"	297.611367	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+H+K"	39.970434
"1456385"	112.527267	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H+K"	39.970434
"247175"	412.202026	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+ACN+H"	42.033826
"1220977"	227.117926	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+ACN+H"	42.033826
"1197570"	114.062601	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+ACN+2H"	43.041102
"193357"	415.13936	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+2Na-H"	44.97116
"630364"	600.22346	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+2Na-H"	44.97116
"1135329"	230.05526	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2Na-H"	44.97116
"178620"	208.073318	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+2Na"	45.978436
"616358"	300.615368	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+2Na"	45.978436
"1117306"	115.531268	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2Na"	45.978436
"1403024"	77.356604	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H+2Na"	46.985712
"1431488"	232.096846	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H+HCOOH"	47.012746
"220735"	213.10634	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+3H2O+2H"	56.04448
"1509610"	246.14889	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+IsoProp+H"	61.06479
"409662"	216.060288	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+Na+K"	61.952376
"774673"	308.602338	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+Na+K"	61.952376
"1671004"	123.518238	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Na+K"	61.952376
"257523"	434.183968	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+ACN+Na"	64.015768
"1231326"	249.099868	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+ACN+Na"	64.015768
"1716933"	249.123393	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+NH4+HCOOH"	64.039293
"1189947"	84.683918	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+3Na"	68.967654
"1660933"	254.078788	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Na+HCOOH"	68.994688
"167793"	447.08724	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+2K-H"	76.91904
"609542"	632.17134	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+2K-H"	76.91904
"1092964"	262.00314	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2K-H"	76.91904
"145406"	224.047258	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"2M+2K"	77.926316
"586060"	316.589308	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"3M+2K"	77.926316
"1074945"	131.505208	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2K"	77.926316
"1110342"	264.017692	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2K+H"	78.933592
"1343446"	264.105307	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+DMSO+H"	79.021207
"1007603"	268.144476	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2ACN+H"	83.060376
"1527913"	269.138108	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+IsoProp+Na+H"	84.054008
"992175"	134.575876	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+2ACN+2H"	84.067652
"1588379"	270.052728	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+K+HCOOH"	84.968628
"1414768"	300.084238	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+H+CF3COOH"	115.000138
"1156847"	155.089151	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+3ACN+2H"	125.094202
"1702024"	317.110785	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+NH4+CF3COOH"	132.026685
"1639862"	322.06618	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+Na+CF3COOH"	136.98208
"1585357"	338.04012	"C18533"	"alpha-Naphthylacetamide;1-Naphthaleneacetamide"	"C12H11NO"	"185.0841"	"M+K+CF3COOH"	152.95602
"805880"	208.05	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M"	0
"982694"	189.03161	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-H2O-H"	-19.01839
"76410"	137.692724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M-3H"	-3.021828
"513779"	207.042724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M-3H"	-3.021828
"890491"	68.342724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-3H"	-3.021828
"10160"	207.042724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M-2H"	-2.014552
"453733"	311.067724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M-2H"	-2.014552
"828619"	103.017724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-2H"	-2.014552
"88613"	415.092724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M-H"	-1.007276
"524893"	623.142724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M-H"	-1.007276
"902696"	207.042724	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-H"	-1.007276
"54886"	432.119271	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M-2H+NH4"	16.019271
"493352"	640.169271	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M-2H+NH4"	16.019271
"873340"	224.069271	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-2H+NH4"	16.019271
"35771"	437.074666	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M-2H+Na"	20.974666
"478979"	645.124666	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M-2H+Na"	20.974666
"850221"	229.024666	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-2H+Na"	20.974666
"1625955"	229.024666	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Na-2H"	20.974666
"99204"	225.031063	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M-H+Cl"	33.962126
"542047"	329.056063	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M-H+Cl"	33.962126
"928999"	121.006063	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-H+Cl"	33.962126
"274119"	451.069402	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+Cl"	34.969402
"665444"	659.119402	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+Cl"	34.969402
"1275666"	243.019402	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Cl"	34.969402
"24782"	453.048606	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M-2H+K"	36.948606
"467623"	661.098606	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M-2H+K"	36.948606
"838863"	244.998606	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-2H+K"	36.948606
"1562352"	244.998606	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+K-2H"	36.948606
"945859"	253.048194	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-H+HCOOH"	44.998194
"369543"	461.098201	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+HCOOH-H"	44.998201
"357437"	475.113851	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+Hac-H"	59.013851
"1504448"	267.063851	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Hac-H"	59.013851
"972727"	275.030151	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-H+NaCOOH"	66.980151
"119809"	243.019402	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+2Cl"	69.938804
"564474"	347.044402	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+2Cl"	69.938804
"1030356"	138.994402	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2Cl"	69.938804
"1247748"	286.968885	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Br"	78.918885
"1310194"	289.024872	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Cl+HCOOH"	80.974872
"1326598"	311.006829	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Cl+NaCOOH"	102.956829
"918749"	321.035586	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M-H+CF3COOH"	112.985586
"1294364"	357.012264	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Cl+CF3COOH"	148.962264
"1374711"	173.037324	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H-2H2O"	-35.012676
"1391114"	191.0473	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H-H2O"	-17.0027
"290801"	417.107276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+H"	1.007276
"686139"	625.157276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+H"	1.007276
"1363944"	209.057276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H"	1.007276
"136833"	209.057276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+2H"	2.014552
"575302"	313.082276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+2H"	2.014552
"1040819"	105.032276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2H"	2.014552
"217111"	139.707276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+3H"	3.021828
"656305"	209.057276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+3H"	3.021828
"1175893"	70.357276	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+3H"	3.021828
"437343"	434.133823	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+NH4"	18.033823
"797977"	642.183823	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+NH4"	18.033823
"1692118"	226.083823	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+NH4"	18.033823
"340763"	217.5705495	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+H+NH4"	19.041099
"734278"	321.5955495	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+H+NH4"	19.041099
"1491016"	113.5455495	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H+NH4"	19.041099
"404590"	439.089218	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+Na"	22.989218
"763396"	647.139218	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+Na"	22.989218
"1610404"	231.039218	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Na"	22.989218
"322628"	220.048247	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+H+Na"	23.996494
"717966"	324.073247	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+H+Na"	23.996494
"1472882"	116.023247	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H+Na"	23.996494
"1064671"	77.68459	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2H+Na"	25.00377
"1263796"	241.083486	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+CH3OH+H"	33.033486
"383470"	455.063158	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+K"	38.963158
"745557"	663.113158	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+K"	38.963158
"1548702"	247.013158	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+K"	38.963158
"304788"	228.035217	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+H+K"	39.970434
"697210"	332.060217	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+H+K"	39.970434
"1453216"	124.010217	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H+K"	39.970434
"241819"	458.133826	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+ACN+H"	42.033826
"1216713"	250.083826	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+ACN+H"	42.033826
"1197680"	125.545551	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+ACN+2H"	43.041102
"190550"	461.07116	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+2Na-H"	44.97116
"629253"	669.12116	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+2Na-H"	44.97116
"1131751"	253.02116	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2Na-H"	44.97116
"175934"	231.039218	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+2Na"	45.978436
"614279"	335.064218	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+2Na"	45.978436
"1117414"	127.014218	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2Na"	45.978436
"1399848"	85.011904	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H+2Na"	46.985712
"1433057"	255.062746	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H+HCOOH"	47.012746
"221050"	236.07224	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+3H2O+2H"	56.04448
"1511907"	269.11479	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+IsoProp+H"	61.06479
"411230"	239.026188	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+Na+K"	61.952376
"773683"	343.051188	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+Na+K"	61.952376
"1671114"	135.001188	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Na+K"	61.952376
"257633"	480.115768	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+ACN+Na"	64.015768
"1233623"	272.065768	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+ACN+Na"	64.015768
"1720321"	272.089293	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+NH4+HCOOH"	64.039293
"1186773"	92.339218	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+3Na"	68.967654
"1663474"	277.044688	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Na+HCOOH"	68.994688
"167904"	493.01904	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+2K-H"	76.91904
"609652"	701.06904	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+2K-H"	76.91904
"1093074"	284.96904	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2K-H"	76.91904
"144787"	247.013158	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"2M+2K"	77.926316
"585077"	351.038158	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"3M+2K"	77.926316
"1071775"	142.988158	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2K"	77.926316
"1106079"	286.983592	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2K+H"	78.933592
"1343556"	287.071207	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+DMSO+H"	79.021207
"1008806"	291.110376	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2ACN+H"	83.060376
"1526930"	292.104008	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+IsoProp+Na+H"	84.054008
"992285"	146.058826	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+2ACN+2H"	84.067652
"1592257"	293.018628	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+K+HCOOH"	84.968628
"1415730"	323.050138	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+H+CF3COOH"	115.000138
"1155864"	166.572101	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+3ACN+2H"	125.094202
"1704321"	340.076685	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+NH4+CF3COOH"	132.026685
"1642159"	345.03208	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+Na+CF3COOH"	136.98208
"1585467"	361.00602	"C18534"	"1-Naphthaleneacetic acid sodium salt"	"C12H9O2Na"	"208.05"	"M+K+CF3COOH"	152.95602
"805990"	384.2301	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M"	0
"981711"	365.21171	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-H2O-H"	-19.01839
"73233"	255.146124	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M-3H"	-3.021828
"510612"	383.222824	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M-3H"	-3.021828
"889508"	127.069424	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-3H"	-3.021828
"10270"	383.222824	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M-2H"	-2.014552
"453114"	575.337874	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M-2H"	-2.014552
"831283"	191.107774	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-2H"	-2.014552
"90910"	767.452924	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M-H"	-1.007276
"531201"	1151.683024	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M-H"	-1.007276
"902805"	383.222824	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-H"	-1.007276
"51714"	784.479471	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M-2H+NH4"	16.019271
"491274"	1168.709571	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M-2H+NH4"	16.019271
"872355"	400.249371	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-2H+NH4"	16.019271
"35882"	789.434866	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M-2H+Na"	20.974666
"479817"	1173.664966	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M-2H+Na"	20.974666
"849963"	405.204766	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-2H+Na"	20.974666
"1624971"	405.204766	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Na-2H"	20.974666
"100408"	401.211163	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M-H+Cl"	33.962126
"538877"	593.326213	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M-H+Cl"	33.962126
"929108"	209.096113	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-H+Cl"	33.962126
"270950"	803.429602	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+Cl"	34.969402
"661908"	1187.659702	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+Cl"	34.969402
"1273460"	419.199502	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Cl"	34.969402
"16626"	805.408806	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M-2H+K"	36.948606
"463357"	1189.638906	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M-2H+K"	36.948606
"838972"	421.178706	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-2H+K"	36.948606
"1566835"	421.178706	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+K-2H"	36.948606
"950342"	429.228294	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-H+HCOOH"	44.998194
"371475"	813.458401	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+HCOOH-H"	44.998201
"360706"	827.474051	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+Hac-H"	59.013851
"1507114"	443.243951	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Hac-H"	59.013851
"973196"	451.210251	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-H+NaCOOH"	66.980151
"121013"	419.199502	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+2Cl"	69.938804
"560572"	611.314552	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+2Cl"	69.938804
"1030466"	227.084452	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2Cl"	69.938804
"1247858"	463.148985	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Br"	78.918885
"1308119"	465.204972	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Cl+HCOOH"	80.974872
"1328895"	487.186929	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Cl+NaCOOH"	102.956829
"916672"	497.215686	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M-H+CF3COOH"	112.985586
"1294474"	533.192364	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Cl+CF3COOH"	148.962264
"1371542"	349.217424	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H-2H2O"	-35.012676
"1393411"	367.2274	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H-H2O"	-17.0027
"290911"	769.467476	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+H"	1.007276
"686613"	1153.697576	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+H"	1.007276
"1364054"	385.237376	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H"	1.007276
"135850"	385.237376	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+2H"	2.014552
"576505"	577.352426	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+2H"	2.014552
"1042021"	193.122326	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2H"	2.014552
"217585"	257.160676	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+3H"	3.021828
"653863"	385.237376	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+3H"	3.021828
"1176001"	129.083976	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+3H"	3.021828
"437453"	786.494023	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+NH4"	18.033823
"797356"	1170.724123	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+NH4"	18.033823
"1693322"	402.263923	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+NH4"	18.033823
"341236"	393.7506495	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+H+NH4"	19.041099
"732198"	585.8656995	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+H+NH4"	19.041099
"1490396"	201.6355995	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H+NH4"	19.041099
"407134"	791.449418	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+Na"	22.989218
"763507"	1175.679518	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+Na"	22.989218
"1613429"	407.219318	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Na"	22.989218
"322738"	396.228347	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+H+Na"	23.996494
"718076"	588.343397	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+H+Na"	23.996494
"1470804"	204.113297	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H+Na"	23.996494
"1065510"	136.41129	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2H+Na"	25.00377
"1267915"	417.263586	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+CH3OH+H"	33.033486
"383581"	807.423358	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+K"	38.963158
"745670"	1191.653458	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+K"	38.963158
"1548813"	423.193258	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+K"	38.963158
"307448"	404.215317	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+H+K"	39.970434
"697319"	596.330367	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+H+K"	39.970434
"1452233"	212.100267	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H+K"	39.970434
"244116"	810.494026	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+ACN+H"	42.033826
"1219010"	426.263926	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+ACN+H"	42.033826
"1202893"	213.635601	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+ACN+2H"	43.041102
"191390"	813.43136	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+2Na-H"	44.97116
"629848"	1197.66146	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+2Na-H"	44.97116
"1131781"	429.20126	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2Na-H"	44.97116
"174222"	407.219318	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+2Na"	45.978436
"614753"	599.334368	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+2Na"	45.978436
"1117524"	215.104268	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2Na"	45.978436
"1400324"	143.738604	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H+2Na"	46.985712
"1430976"	431.242846	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H+HCOOH"	47.012746
"220793"	412.25234	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+3H2O+2H"	56.04448
"1509465"	445.29489	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+IsoProp+H"	61.06479
"409517"	415.206288	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+Na+K"	61.952376
"773065"	607.321338	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+Na+K"	61.952376
"1672317"	223.091238	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Na+K"	61.952376
"257743"	832.475968	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+ACN+Na"	64.015768
"1235920"	448.245868	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+ACN+Na"	64.015768
"1719338"	448.269393	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+NH4+HCOOH"	64.039293
"1184697"	151.065918	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+3Na"	68.967654
"1657872"	453.224788	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Na+HCOOH"	68.994688
"164733"	845.37924	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+2K-H"	76.91904
"608668"	1229.60934	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+2K-H"	76.91904
"1095369"	461.14914	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2K-H"	76.91904
"147814"	423.193258	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"2M+2K"	77.926316
"587374"	615.308308	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"3M+2K"	77.926316
"1074072"	231.078208	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2K"	77.926316
"1107283"	463.163692	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2K+H"	78.933592
"1345853"	463.251307	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+DMSO+H"	79.021207
"1007822"	467.290476	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2ACN+H"	83.060376
"1529227"	468.284108	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+IsoProp+Na+H"	84.054008
"992395"	234.148876	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+2ACN+2H"	84.067652
"1593461"	469.198728	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+K+HCOOH"	84.968628
"1419123"	499.230238	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+H+CF3COOH"	115.000138
"1157067"	254.662151	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+3ACN+2H"	125.094202
"1704431"	516.256785	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+NH4+CF3COOH"	132.026685
"1638989"	521.21218	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+Na+CF3COOH"	136.98208
"1585577"	537.18612	"C18535"	"Acequinocyl"	"C24H32O4"	"384.2301"	"M+K+CF3COOH"	152.95602
"806100"	446.0413	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M"	0
"984008"	427.02291	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-H2O-H"	-19.01839
"72250"	296.353590666667	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M-3H"	-3.021828
"512906"	445.034024	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M-3H"	-3.021828
"891805"	147.673157333333	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-3H"	-3.021828
"15675"	445.034024	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M-2H"	-2.014552
"455649"	668.054674	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M-2H"	-2.014552
"832127"	222.013374	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-2H"	-2.014552
"93457"	891.075324	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M-H"	-1.007276
"530582"	1337.116624	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M-H"	-1.007276
"906197"	445.034024	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-H"	-1.007276
"57292"	908.101871	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M-2H+NH4"	16.019271
"491385"	1354.143171	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M-2H+NH4"	16.019271
"876476"	462.060571	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-2H+NH4"	16.019271
"42918"	913.057266	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M-2H+Na"	20.974666
"481750"	1359.098566	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M-2H+Na"	20.974666
"849714"	467.015966	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-2H+Na"	20.974666
"1628363"	467.015966	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Na-2H"	20.974666
"103802"	463.022363	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M-H+Cl"	33.962126
"538988"	686.043013	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M-H+Cl"	33.962126
"933595"	240.001713	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-H+Cl"	33.962126
"271061"	927.052002	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+Cl"	34.969402
"666762"	1373.093302	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+Cl"	34.969402
"1280257"	481.010702	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Cl"	34.969402
"23909"	929.031206	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M-2H+K"	36.948606
"470027"	1375.072506	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M-2H+K"	36.948606
"846376"	482.989906	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-2H+K"	36.948606
"1566946"	482.989906	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+K-2H"	36.948606
"958261"	491.039494	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-H+HCOOH"	44.998194
"377035"	937.080801	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+HCOOH-H"	44.998201
"361172"	951.096451	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+Hac-H"	59.013851
"1507842"	505.055151	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Hac-H"	59.013851
"972217"	513.021451	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-H+NaCOOH"	66.980151
"122216"	481.010702	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+2Cl"	69.938804
"562874"	704.031352	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+2Cl"	69.938804
"1033130"	257.990052	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2Cl"	69.938804
"1253072"	524.960185	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Br"	78.918885
"1314788"	527.016172	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Cl+HCOOH"	80.974872
"1329004"	548.998129	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Cl+NaCOOH"	102.956829
"920062"	559.026886	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M-H+CF3COOH"	112.985586
"1296769"	595.003564	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Cl+CF3COOH"	148.962264
"1372742"	411.028624	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H-2H2O"	-35.012676
"1389147"	429.0386	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H-H2O"	-17.0027
"288104"	893.089876	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+H"	1.007276
"683443"	1339.131176	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+H"	1.007276
"1359790"	447.048576	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H"	1.007276
"133772"	447.048576	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+2H"	2.014552
"579167"	670.069226	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+2H"	2.014552
"1041039"	224.027926	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2H"	2.014552
"218060"	298.368142666667	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+3H"	3.021828
"659323"	447.048576	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+3H"	3.021828
"1174654"	149.687709333333	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+3H"	3.021828
"434281"	910.116423	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+NH4"	18.033823
"794182"	1356.157723	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+NH4"	18.033823
"1694523"	464.075123	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+NH4"	18.033823
"341343"	455.5618495	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+H+NH4"	19.041099
"733400"	678.5824995	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+H+NH4"	19.041099
"1482117"	232.5411995	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H+NH4"	19.041099
"403713"	915.071818	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+Na"	22.989218
"760335"	1361.113118	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+Na"	22.989218
"1614998"	469.030518	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Na"	22.989218
"322845"	458.039547	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+H+Na"	23.996494
"715270"	681.060197	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+H+Na"	23.996494
"1470183"	235.018897	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H+Na"	23.996494
"1061240"	157.015023333333	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2H+Na"	25.00377
"1267294"	479.074786	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+CH3OH+H"	33.033486
"386965"	931.045758	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+K"	38.963158
"749054"	1377.087058	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+K"	38.963158
"1554024"	485.004458	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+K"	38.963158
"309377"	466.026517	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+H+K"	39.970434
"703989"	689.047167	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+H+K"	39.970434
"1455619"	243.005867	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H+K"	39.970434
"248597"	934.116426	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+ACN+H"	42.033826
"1223493"	488.075126	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+ACN+H"	42.033826
"1207375"	244.541201	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+ACN+2H"	43.041102
"199153"	937.05376	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+2Na-H"	44.97116
"635435"	1383.09506	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+2Na-H"	44.97116
"1135659"	491.01246	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2Na-H"	44.97116
"176760"	469.030518	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+2Na"	45.978436
"614136"	692.051168	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+2Na"	45.978436
"1117516"	246.009868	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2Na"	45.978436
"1403355"	164.342337333333	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H+2Na"	46.985712
"1433274"	493.054046	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H+HCOOH"	47.012746
"221514"	474.06354	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+3H2O+2H"	56.04448
"1509943"	507.10609	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+IsoProp+H"	61.06479
"410723"	477.017488	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+Na+K"	61.952376
"773907"	700.038138	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+Na+K"	61.952376
"1671335"	253.996838	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Na+K"	61.952376
"257853"	956.098368	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+ACN+Na"	64.015768
"1236029"	510.057068	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+ACN+Na"	64.015768
"1722730"	510.080593	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+NH4+HCOOH"	64.039293
"1188087"	171.669651333333	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+3Na"	68.967654
"1659075"	515.035988	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Na+HCOOH"	68.994688
"165936"	969.00164	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+2K-H"	76.91904
"607685"	1415.04294	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+2K-H"	76.91904
"1097666"	522.96034	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2K-H"	76.91904
"151204"	485.004458	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"2M+2K"	77.926316
"588579"	708.025108	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"3M+2K"	77.926316
"1078557"	261.983808	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2K"	77.926316
"1110672"	524.974892	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2K+H"	78.933592
"1341590"	525.062507	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+DMSO+H"	79.021207
"1009026"	529.101676	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2ACN+H"	83.060376
"1528245"	530.095308	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+IsoProp+Na+H"	84.054008
"993599"	265.054476	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+2ACN+2H"	84.067652
"1592478"	531.009928	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+K+HCOOH"	84.968628
"1419233"	561.041438	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+H+CF3COOH"	115.000138
"1156084"	285.567751	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+3ACN+2H"	125.094202
"1704541"	578.067985	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+NH4+CF3COOH"	132.026685
"1644566"	583.02338	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+Na+CF3COOH"	136.98208
"1585687"	598.99732	"C18536"	"Benzobicyclon"	"C22H19ClO4S2"	"446.0413"	"M+K+CF3COOH"	152.95602
"806210"	255.1518	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M"	0
"983024"	236.13341	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-H2O-H"	-19.01839
"71267"	169.093924	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M-3H"	-3.021828
"517393"	254.144524	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M-3H"	-3.021828
"888635"	84.043324	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-3H"	-3.021828
"14865"	254.144524	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M-2H"	-2.014552
"455327"	381.720424	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M-2H"	-2.014552
"831752"	126.568624	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-2H"	-2.014552
"93445"	509.296324	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M-H"	-1.007276
"531664"	764.448124	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M-H"	-1.007276
"909465"	254.144524	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-H"	-1.007276
"62590"	526.322871	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M-2H+NH4"	16.019271
"498055"	781.474671	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M-2H+NH4"	16.019271
"879908"	271.171071	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-2H+NH4"	16.019271
"46799"	531.278266	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M-2H+Na"	20.974666
"487080"	786.430066	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M-2H+Na"	20.974666
"852376"	276.126466	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-2H+Na"	20.974666
"1629566"	276.126466	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Na-2H"	20.974666
"101726"	272.132863	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M-H+Cl"	33.962126
"540190"	399.708763	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M-H+Cl"	33.962126
"933704"	144.556963	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-H+Cl"	33.962126
"272261"	545.273002	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+Cl"	34.969402
"666870"	800.424802	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+Cl"	34.969402
"1280364"	290.121202	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Cl"	34.969402
"25109"	547.252206	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M-2H+K"	36.948606
"460294"	802.404006	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M-2H+K"	36.948606
"845755"	292.100406	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-2H+K"	36.948606
"1564867"	292.100406	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+K-2H"	36.948606
"958441"	300.149994	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-H+HCOOH"	44.998194
"374611"	555.301801	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+HCOOH-H"	44.998201
"361014"	569.317451	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+Hac-H"	59.013851
"1508417"	314.165651	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Hac-H"	59.013851
"973062"	322.131951	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-H+NaCOOH"	66.980151
"120140"	290.121202	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+2Cl"	69.938804
"558606"	417.697102	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+2Cl"	69.938804
"1031779"	162.545302	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2Cl"	69.938804
"1255007"	334.070685	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Br"	78.918885
"1312713"	336.126672	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Cl+HCOOH"	80.974872
"1329115"	358.108629	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Cl+NaCOOH"	102.956829
"917986"	368.137386	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M-H+CF3COOH"	112.985586
"1300162"	404.114064	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Cl+CF3COOH"	148.962264
"1375040"	220.139124	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H-2H2O"	-35.012676
"1390349"	238.1491	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H-H2O"	-17.0027
"288943"	511.310876	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+H"	1.007276
"683553"	766.462676	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+H"	1.007276
"1358808"	256.159076	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H"	1.007276
"132790"	256.159076	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+2H"	2.014552
"578910"	383.734976	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+2H"	2.014552
"1050995"	128.583176	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2H"	2.014552
"215615"	171.108476	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+3H"	3.021828
"659068"	256.159076	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+3H"	3.021828
"1175129"	86.057876	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+3H"	3.021828
"433298"	528.337423	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+NH4"	18.033823
"794291"	783.489223	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+NH4"	18.033823
"1689530"	273.185623	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+NH4"	18.033823
"341819"	264.6723495	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+H+NH4"	19.041099
"731322"	392.2482495	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+H+NH4"	19.041099
"1487332"	137.0964495	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H+NH4"	19.041099
"404918"	533.292818	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+Na"	22.989218
"760445"	788.444618	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+Na"	22.989218
"1610734"	278.141018	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Na"	22.989218
"326238"	267.150047	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+H+Na"	23.996494
"720847"	394.725947	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+H+Na"	23.996494
"1472482"	139.574147	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H+Na"	23.996494
"1066821"	93.38519	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2H+Na"	25.00377
"1267403"	288.185286	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+CH3OH+H"	33.033486
"390355"	549.266758	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+K"	38.963158
"752445"	804.418558	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+K"	38.963158
"1554500"	294.114958	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+K"	38.963158
"308394"	275.137017	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+H+K"	39.970434
"704098"	402.712917	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+H+K"	39.970434
"1459013"	147.561117	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H+K"	39.970434
"250531"	552.337426	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+ACN+H"	42.033826
"1225105"	297.185626	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+ACN+H"	42.033826
"1206393"	149.096451	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+ACN+2H"	43.041102
"199264"	555.27476	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+2Na-H"	44.97116
"638825"	810.42656	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+2Na-H"	44.97116
"1141239"	300.12296	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2Na-H"	44.97116
"181251"	278.141018	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+2Na"	45.978436
"619715"	405.716918	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+2Na"	45.978436
"1126501"	150.565118	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2Na"	45.978436
"1400549"	100.712504	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H+2Na"	46.985712
"1433393"	302.164546	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H+HCOOH"	47.012746
"223088"	283.17404	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+3H2O+2H"	56.04448
"1511513"	316.21659	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+IsoProp+H"	61.06479
"411565"	286.127988	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+Na+K"	61.952376
"775112"	413.703888	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+Na+K"	61.952376
"1674725"	158.552088	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Na+K"	61.952376
"257963"	574.319368	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+ACN+Na"	64.015768
"1236139"	319.167568	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+ACN+Na"	64.015768
"1722840"	319.191093	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+NH4+HCOOH"	64.039293
"1188197"	108.039818	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+3Na"	68.967654
"1660278"	324.146488	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Na+HCOOH"	68.994688
"166046"	587.22264	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+2K-H"	76.91904
"612696"	842.37444	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+2K-H"	76.91904
"1098748"	332.07084	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2K-H"	76.91904
"151314"	294.114958	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"2M+2K"	77.926316
"596220"	421.690858	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"3M+2K"	77.926316
"1078667"	166.539058	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2K"	77.926316
"1108595"	334.085392	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2K+H"	78.933592
"1342796"	334.173007	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+DMSO+H"	79.021207
"1009136"	338.212176	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2ACN+H"	83.060376
"1527261"	339.205808	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+IsoProp+Na+H"	84.054008
"999178"	169.609726	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+2ACN+2H"	84.067652
"1593681"	340.120428	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+K+HCOOH"	84.968628
"1420436"	370.151938	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+H+CF3COOH"	115.000138
"1157287"	190.123001	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+3ACN+2H"	125.094202
"1704651"	387.178485	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+NH4+CF3COOH"	132.026685
"1645769"	392.13388	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+Na+CF3COOH"	136.98208
"1585797"	408.10782	"C18537"	"Dimethametryn"	"C11H21N5S"	"255.1518"	"M+K+CF3COOH"	152.95602
"806320"	254.1882	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M"	0
"982041"	235.16981	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-H2O-H"	-19.01839
"70284"	168.451524	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M-3H"	-3.021828
"516775"	253.180924	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M-3H"	-3.021828
"893846"	83.722124	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-3H"	-3.021828
"7319"	253.180924	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M-2H"	-2.014552
"450160"	380.275024	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M-2H"	-2.014552
"825777"	126.086824	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-2H"	-2.014552
"93883"	507.369124	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M-H"	-1.007276
"532867"	761.557324	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M-H"	-1.007276
"911162"	253.180924	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-H"	-1.007276
"62621"	524.395671	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M-2H+NH4"	16.019271
"502176"	778.583871	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M-2H+NH4"	16.019271
"879771"	270.207471	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-2H+NH4"	16.019271
"46869"	529.351066	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M-2H+Na"	20.974666
"486885"	783.539266	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M-2H+Na"	20.974666
"852487"	275.162866	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-2H+Na"	20.974666
"1627489"	275.162866	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Na-2H"	20.974666
"107302"	271.169263	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M-H+Cl"	33.962126
"544674"	398.263363	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M-H+Cl"	33.962126
"938188"	144.075163	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-H+Cl"	33.962126
"276745"	543.345802	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+Cl"	34.969402
"670260"	797.534002	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+Cl"	34.969402
"1280475"	289.157602	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Cl"	34.969402
"24122"	545.325006	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M-2H+K"	36.948606
"462591"	799.513206	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M-2H+K"	36.948606
"841487"	291.136806	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-2H+K"	36.948606
"1564977"	291.136806	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+K-2H"	36.948606
"958349"	299.186394	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-H+HCOOH"	44.998194
"373628"	553.374601	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+HCOOH-H"	44.998201
"361003"	567.390251	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+Hac-H"	59.013851
"1507821"	313.202051	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Hac-H"	59.013851
"973174"	321.168351	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-H+NaCOOH"	66.980151
"122439"	289.157602	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+2Cl"	69.938804
"559810"	416.251702	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+2Cl"	69.938804
"1031889"	162.063502	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2Cl"	69.938804
"1253655"	333.107085	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Br"	78.918885
"1311729"	335.163072	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Cl+HCOOH"	80.974872
"1329225"	357.145029	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Cl+NaCOOH"	102.956829
"919916"	367.173786	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M-H+CF3COOH"	112.985586
"1298085"	403.150464	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Cl+CF3COOH"	148.962264
"1378068"	219.175524	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H-2H2O"	-35.012676
"1389367"	237.1855	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H-H2O"	-17.0027
"288325"	509.383676	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+H"	1.007276
"685850"	763.571876	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+H"	1.007276
"1360743"	255.195476	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H"	1.007276
"135088"	255.195476	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+2H"	2.014552
"577563"	382.289576	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+2H"	2.014552
"1051473"	128.101376	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2H"	2.014552
"213539"	170.466076	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+3H"	3.021828
"656748"	255.195476	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+3H"	3.021828
"1176698"	85.736676	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+3H"	3.021828
"433408"	526.410223	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+NH4"	18.033823
"795496"	780.598423	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+NH4"	18.033823
"1689639"	272.222023	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+NH4"	18.033823
"336827"	263.7087495	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+H+NH4"	19.041099
"731434"	390.8028495	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+H+NH4"	19.041099
"1487442"	136.6146495	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H+NH4"	19.041099
"405028"	531.365618	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+Na"	22.989218
"760555"	785.553818	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+Na"	22.989218
"1609751"	277.177418	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Na"	22.989218
"326348"	266.186447	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+H+Na"	23.996494
"720958"	393.280547	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+H+Na"	23.996494
"1472592"	139.092347	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H+Na"	23.996494
"1065838"	93.06399	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2H+Na"	25.00377
"1266420"	287.221686	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+CH3OH+H"	33.033486
"389372"	547.339558	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+K"	38.963158
"749275"	801.527758	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+K"	38.963158
"1553515"	293.151358	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+K"	38.963158
"308503"	274.173417	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+H+K"	39.970434
"704937"	401.267517	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+H+K"	39.970434
"1459122"	147.079317	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H+K"	39.970434
"247725"	550.410226	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+ACN+H"	42.033826
"1225049"	296.222026	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+ACN+H"	42.033826
"1205409"	148.614651	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+ACN+2H"	43.041102
"201560"	553.34756	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+2Na-H"	44.97116
"638933"	807.53576	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+2Na-H"	44.97116
"1137337"	299.15936	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2Na-H"	44.97116
"179171"	277.177418	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+2Na"	45.978436
"622008"	404.271518	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+2Na"	45.978436
"1118588"	150.083318	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2Na"	45.978436
"1399681"	100.391304	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H+2Na"	46.985712
"1430583"	301.200946	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H+HCOOH"	47.012746
"221736"	282.21044	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+3H2O+2H"	56.04448
"1510164"	315.25299	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+IsoProp+H"	61.06479
"411311"	285.164388	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+Na+K"	61.952376
"775222"	412.258488	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+Na+K"	61.952376
"1674835"	158.070288	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Na+K"	61.952376
"258073"	572.392168	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+ACN+Na"	64.015768
"1235156"	318.203968	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+ACN+Na"	64.015768
"1721857"	318.227493	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+NH4+HCOOH"	64.039293
"1190129"	107.718618	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+3Na"	68.967654
"1662575"	323.182888	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Na+HCOOH"	68.994688
"168343"	585.29544	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+2K-H"	76.91904
"612646"	839.48364	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+2K-H"	76.91904
"1098858"	331.10724	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2K-H"	76.91904
"155678"	293.151358	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"2M+2K"	77.926316
"596738"	420.245458	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"3M+2K"	77.926316
"1082057"	166.057258	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2K"	77.926316
"1113079"	333.121792	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2K+H"	78.933592
"1343999"	333.209407	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+DMSO+H"	79.021207
"1015807"	337.248576	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2ACN+H"	83.060376
"1529557"	338.242208	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+IsoProp+Na+H"	84.054008
"998194"	169.127926	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+2ACN+2H"	84.067652
"1593791"	339.156828	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+K+HCOOH"	84.968628
"1420546"	369.188338	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+H+CF3COOH"	115.000138
"1157397"	189.641201	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+3ACN+2H"	125.094202
"1702574"	386.214885	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+NH4+CF3COOH"	132.026685
"1642599"	391.17028	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+Na+CF3COOH"	136.98208
"1585907"	407.14422	"C18538"	"Prohydrojasmon"	"C15H26O3"	"254.1882"	"M+K+CF3COOH"	152.95602
"806430"	327.1868	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M"	0
"985431"	308.16841	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-H2O-H"	-19.01839
"73674"	217.117257333333	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M-3H"	-3.021828
"516521"	326.179524	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M-3H"	-3.021828
"892133"	108.054990666667	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-3H"	-3.021828
"7429"	326.179524	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M-2H"	-2.014552
"444803"	489.772924	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M-2H"	-2.014552
"826979"	162.586124	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-2H"	-2.014552
"91347"	653.366324	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M-H"	-1.007276
"532857"	980.553124	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M-H"	-1.007276
"909200"	326.179524	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-H"	-1.007276
"61632"	670.392871	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M-2H+NH4"	16.019271
"501922"	997.579671	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M-2H+NH4"	16.019271
"879239"	343.206071	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-2H+NH4"	16.019271
"45437"	675.348266	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M-2H+Na"	20.974666
"482442"	1002.535066	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M-2H+Na"	20.974666
"851866"	348.161466	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-2H+Na"	20.974666
"1627599"	348.161466	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Na-2H"	20.974666
"107412"	344.167863	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M-H+Cl"	33.962126
"542598"	507.761263	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M-H+Cl"	33.962126
"935017"	180.574463	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-H+Cl"	33.962126
"274667"	689.343002	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+Cl"	34.969402
"665994"	1016.529802	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+Cl"	34.969402
"1283864"	362.156202	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Cl"	34.969402
"22047"	691.322206	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M-2H+K"	36.948606
"460511"	1018.509006	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M-2H+K"	36.948606
"839411"	364.135406	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-2H+K"	36.948606
"1563992"	364.135406	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+K-2H"	36.948606
"956983"	372.184994	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-H+HCOOH"	44.998194
"373374"	699.371801	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+HCOOH-H"	44.998201
"360546"	713.387451	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+Hac-H"	59.013851
"1507970"	386.200651	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Hac-H"	59.013851
"973932"	394.166951	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-H+NaCOOH"	66.980151
"122916"	362.156202	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+2Cl"	69.938804
"559921"	525.749602	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+2Cl"	69.938804
"1034551"	198.562802	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2Cl"	69.938804
"1250484"	406.105685	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Br"	78.918885
"1312932"	408.161672	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Cl+HCOOH"	80.974872
"1329335"	430.143629	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Cl+NaCOOH"	102.956829
"923672"	440.172386	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M-H+CF3COOH"	112.985586
"1297102"	476.149064	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Cl+CF3COOH"	148.962264
"1378178"	292.174124	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H-2H2O"	-35.012676
"1391666"	310.1841	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H-H2O"	-17.0027
"290258"	655.380876	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+H"	1.007276
"685960"	982.567676	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+H"	1.007276
"1364864"	328.194076	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H"	1.007276
"136292"	328.194076	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+2H"	2.014552
"577673"	491.787476	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+2H"	2.014552
"1052623"	164.600676	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2H"	2.014552
"213649"	219.131809333333	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+3H"	3.021828
"658316"	328.194076	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+3H"	3.021828
"1178265"	110.069542666667	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+3H"	3.021828
"436434"	672.407423	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+NH4"	18.033823
"797794"	999.594223	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+NH4"	18.033823
"1691937"	345.220623	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+NH4"	18.033823
"336937"	336.7073495	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+H+NH4"	19.041099
"731544"	500.3007495	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+H+NH4"	19.041099
"1489373"	173.1139495	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H+NH4"	19.041099
"405138"	677.362818	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+Na"	22.989218
"760665"	1004.549618	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+Na"	22.989218
"1609861"	350.176018	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Na"	22.989218
"324272"	339.185047	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+H+Na"	23.996494
"718882"	502.778447	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+H+Na"	23.996494
"1470515"	175.591647	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H+Na"	23.996494
"1065948"	117.396856666667	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2H+Na"	25.00377
"1267623"	360.220286	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+CH3OH+H"	33.033486
"389482"	693.336758	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+K"	38.963158
"749385"	1020.523558	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+K"	38.963158
"1552532"	366.149958	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+K"	38.963158
"308613"	347.172017	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+H+K"	39.970434
"703224"	510.765417	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+H+K"	39.970434
"1454857"	183.578617	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H+K"	39.970434
"246740"	696.407426	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+ACN+H"	42.033826
"1220542"	369.220626	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+ACN+H"	42.033826
"1202241"	185.113951	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+ACN+2H"	43.041102
"199486"	699.34476	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+2Na-H"	44.97116
"640137"	1026.53156	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+2Na-H"	44.97116
"1140363"	372.15796	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2Na-H"	44.97116
"181468"	350.176018	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+2Na"	45.978436
"619931"	513.769418	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+2Na"	45.978436
"1122343"	186.582618	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2Na"	45.978436
"1400397"	124.724170666667	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H+2Na"	46.985712
"1430687"	374.199546	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H+HCOOH"	47.012746
"220141"	355.20904	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+3H2O+2H"	56.04448
"1508813"	388.25159	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+IsoProp+H"	61.06479
"413608"	358.162988	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+Na+K"	61.952376
"775332"	521.756388	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+Na+K"	61.952376
"1675675"	194.569588	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Na+K"	61.952376
"259277"	718.389368	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+ACN+Na"	64.015768
"1235268"	391.202568	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+ACN+Na"	64.015768
"1720875"	391.226093	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+NH4+HCOOH"	64.039293
"1187324"	132.051484666667	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+3Na"	68.967654
"1660499"	396.181488	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Na+HCOOH"	68.994688
"169547"	731.29264	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+2K-H"	76.91904
"611174"	1058.47944	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+2K-H"	76.91904
"1098847"	404.10584	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2K-H"	76.91904
"154816"	366.149958	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"2M+2K"	77.926316
"596198"	529.743358	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"3M+2K"	77.926316
"1082168"	202.556558	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2K"	77.926316
"1113068"	406.120392	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2K+H"	78.933592
"1341920"	406.208007	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+DMSO+H"	79.021207
"1013730"	410.247176	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2ACN+H"	83.060376
"1528574"	411.240808	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+IsoProp+Na+H"	84.054008
"1000491"	205.627226	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+2ACN+2H"	84.067652
"1593902"	412.155428	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+K+HCOOH"	84.968628
"1420656"	442.186938	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+H+CF3COOH"	115.000138
"1156414"	226.140501	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+3ACN+2H"	125.094202
"1702684"	459.213485	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+NH4+CF3COOH"	132.026685
"1642709"	464.16888	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+Na+CF3COOH"	136.98208
"1586017"	480.14282	"C18539"	"Sethoxydim"	"C17H29NO3S"	"327.1868"	"M+K+CF3COOH"	152.95602
"806540"	341.1394	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M"	0
"983354"	322.12101	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-H2O-H"	-19.01839
"70503"	226.418990666667	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M-3H"	-3.021828
"511161"	340.132124	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M-3H"	-3.021828
"892243"	112.705857333333	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-3H"	-3.021828
"7539"	340.132124	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M-2H"	-2.014552
"444912"	510.701824	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M-2H"	-2.014552
"822714"	169.562424	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-2H"	-2.014552
"90364"	681.271524	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M-H"	-1.007276
"532482"	1022.410924	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M-H"	-1.007276
"909553"	340.132124	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-H"	-1.007276
"61378"	698.298071	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M-2H+NH4"	16.019271
"498995"	1039.437471	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M-2H+NH4"	16.019271
"878377"	357.158671	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-2H+NH4"	16.019271
"45304"	703.253466	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M-2H+Na"	20.974666
"481459"	1044.392866	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M-2H+Na"	20.974666
"849425"	362.114066	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-2H+Na"	20.974666
"1627709"	362.114066	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Na-2H"	20.974666
"105333"	358.120463	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M-H+Cl"	33.962126
"542706"	528.690163	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M-H+Cl"	33.962126
"934033"	187.550763	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-H+Cl"	33.962126
"275870"	717.248202	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+Cl"	34.969402
"666104"	1058.387602	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+Cl"	34.969402
"1279600"	376.108802	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Cl"	34.969402
"23250"	719.227406	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M-2H+K"	36.948606
"460621"	1060.366806	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M-2H+K"	36.948606
"838789"	378.088006	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-2H+K"	36.948606
"1564102"	378.088006	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+K-2H"	36.948606
"957458"	386.137594	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-H+HCOOH"	44.998194
"374577"	727.277001	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+HCOOH-H"	44.998201
"360657"	741.292651	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+Hac-H"	59.013851
"1508364"	400.153251	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Hac-H"	59.013851
"974003"	408.119551	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-H+NaCOOH"	66.980151
"124846"	376.108802	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+2Cl"	69.938804
"564650"	546.678502	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+2Cl"	69.938804
"1032109"	205.539102	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2Cl"	69.938804
"1253874"	420.058285	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Br"	78.918885
"1314136"	422.114272	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Cl+HCOOH"	80.974872
"1328351"	444.096229	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Cl+NaCOOH"	102.956829
"923418"	454.124986	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M-H+CF3COOH"	112.985586
"1296117"	490.101664	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Cl+CF3COOH"	148.962264
"1379745"	306.126724	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H-2H2O"	-35.012676
"1388496"	324.1367	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H-H2O"	-17.0027
"291462"	683.286076	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+H"	1.007276
"686070"	1024.425476	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+H"	1.007276
"1362420"	342.146676	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H"	1.007276
"137495"	342.146676	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+2H"	2.014552
"578877"	512.716376	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+2H"	2.014552
"1050595"	171.576976	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2H"	2.014552
"212666"	228.433542666667	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+3H"	3.021828
"651132"	342.146676	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+3H"	3.021828
"1174365"	114.720409333333	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+3H"	3.021828
"431440"	700.312623	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+NH4"	18.033823
"793529"	1041.452023	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+NH4"	18.033823
"1686578"	359.173223	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+NH4"	18.033823
"334857"	350.6599495	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+H+NH4"	19.041099
"730558"	521.2296495	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+H+NH4"	19.041099
"1486565"	180.0902495	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H+NH4"	19.041099
"401967"	705.268018	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+Na"	22.989218
"759682"	1046.407418	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+Na"	22.989218
"1611064"	364.128618	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Na"	22.989218
"324382"	353.137647	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+H+Na"	23.996494
"720084"	523.707347	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+H+Na"	23.996494
"1472812"	182.567947	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H+Na"	23.996494
"1066058"	122.047723333333	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2H+Na"	25.00377
"1266640"	374.172886	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+CH3OH+H"	33.033486
"390686"	721.241958	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+K"	38.963158
"748401"	1062.381358	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+K"	38.963158
"1550455"	380.102558	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+K"	38.963158
"309817"	361.124617	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+H+K"	39.970434
"702970"	531.694317	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+H+K"	39.970434
"1457153"	190.554917	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H+K"	39.970434
"243568"	724.312626	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+ACN+H"	42.033826
"1219557"	383.173226	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+ACN+H"	42.033826
"1204536"	192.090251	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+ACN+2H"	43.041102
"197407"	727.24996	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+2Na-H"	44.97116
"636967"	1068.38936	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+2Na-H"	44.97116
"1140473"	386.11056	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2Na-H"	44.97116
"176475"	364.128618	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+2Na"	45.978436
"617854"	534.698318	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+2Na"	45.978436
"1122453"	193.558918	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2Na"	45.978436
"1400264"	129.375037333333	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H+2Na"	46.985712
"1430797"	388.152146	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H+HCOOH"	47.012746
"220247"	369.16164	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+3H2O+2H"	56.04448
"1510015"	402.20419	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+IsoProp+H"	61.06479
"410802"	372.115588	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+Na+K"	61.952376
"775442"	542.685288	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+Na+K"	61.952376
"1673963"	201.545888	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Na+K"	61.952376
"260480"	746.294568	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+ACN+Na"	64.015768
"1233192"	405.155168	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+ACN+Na"	64.015768
"1718795"	405.178693	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+NH4+HCOOH"	64.039293
"1181597"	136.702351333333	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+3Na"	68.967654
"1658420"	410.134088	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Na+HCOOH"	68.994688
"166376"	759.19784	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+2K-H"	76.91904
"610311"	1100.33724	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+2K-H"	76.91904
"1098836"	418.05844	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2K-H"	76.91904
"152737"	380.102558	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"2M+2K"	77.926316
"589016"	550.672258	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"3M+2K"	77.926316
"1081183"	209.532858	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2K"	77.926316
"1108925"	420.072992	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2K+H"	78.933592
"1343124"	420.160607	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+DMSO+H"	79.021207
"1011654"	424.199776	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2ACN+H"	83.060376
"1526498"	425.193408	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+IsoProp+Na+H"	84.054008
"999508"	212.603526	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+2ACN+2H"	84.067652
"1594012"	426.108028	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+K+HCOOH"	84.968628
"1420766"	456.139538	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+H+CF3COOH"	115.000138
"1156524"	233.116801	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+3ACN+2H"	125.094202
"1701701"	473.166085	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+NH4+CF3COOH"	132.026685
"1642819"	478.12148	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+Na+CF3COOH"	136.98208
"1586127"	494.09542	"C18540"	"Tepraloxydim"	"C17H24ClNO4"	"341.1394"	"M+K+CF3COOH"	152.95602
"806652"	252.0998	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M"	0
"982373"	233.08141	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-H2O-H"	-19.01839
"73896"	167.059257333333	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M-3H"	-3.021828
"512363"	251.092524	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M-3H"	-3.021828
"884700"	83.0259906666667	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-3H"	-3.021828
"6556"	251.092524	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M-2H"	-2.014552
"445022"	377.142424	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M-2H"	-2.014552
"830731"	125.042624	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-2H"	-2.014552
"90480"	503.192324	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M-H"	-1.007276
"531983"	755.292124	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M-H"	-1.007276
"908812"	251.092524	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-H"	-1.007276
"61245"	520.218871	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M-2H+NH4"	16.019271
"500803"	772.318671	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M-2H+NH4"	16.019271
"878362"	268.119071	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-2H+NH4"	16.019271
"43108"	525.174266	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M-2H+Na"	20.974666
"480481"	777.274066	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M-2H+Na"	20.974666
"858289"	273.074466	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-2H+Na"	20.974666
"1627821"	273.074466	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Na-2H"	20.974666
"102162"	269.080863	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M-H+Cl"	33.962126
"542816"	395.130763	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M-H+Cl"	33.962126
"933050"	143.030963	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-H+Cl"	33.962126
"274887"	539.169002	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+Cl"	34.969402
"661840"	791.268802	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+Cl"	34.969402
"1278618"	287.069202	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Cl"	34.969402
"18988"	541.148206	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M-2H+K"	36.948606
"464017"	793.248006	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M-2H+K"	36.948606
"846563"	289.048406	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-2H+K"	36.948606
"1562027"	289.048406	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+K-2H"	36.948606
"955021"	297.097994	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-H+HCOOH"	44.998194
"376567"	549.197801	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+HCOOH-H"	44.998201
"360407"	563.213451	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+Hac-H"	59.013851
"1507416"	311.113651	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Hac-H"	59.013851
"973503"	319.079951	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-H+NaCOOH"	66.980151
"124966"	287.069202	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+2Cl"	69.938804
"564887"	413.119102	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+2Cl"	69.938804
"1033314"	161.019302	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2Cl"	69.938804
"1253985"	331.018685	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Br"	78.918885
"1316798"	333.074672	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Cl+HCOOH"	80.974872
"1329554"	355.056629	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Cl+NaCOOH"	102.956829
"920612"	365.085386	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M-H+CF3COOH"	112.985586
"1298414"	401.062064	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Cl+CF3COOH"	148.962264
"1375482"	217.087124	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H-2H2O"	-35.012676
"1395896"	235.0971	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H-H2O"	-17.0027
"295948"	505.206876	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+H"	1.007276
"686910"	757.306676	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+H"	1.007276
"1365693"	253.107076	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H"	1.007276
"139067"	253.107076	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+2H"	2.014552
"574980"	379.156976	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+2H"	2.014552
"1042684"	127.057176	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2H"	2.014552
"213871"	169.073809333333	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+3H"	3.021828
"652338"	253.107076	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+3H"	3.021828
"1164996"	85.0405426666667	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+3H"	3.021828
"433735"	522.233423	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+NH4"	18.033823
"794731"	774.333223	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+NH4"	18.033823
"1692156"	270.133623	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+NH4"	18.033823
"337153"	261.6203495	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+H+NH4"	19.041099
"727388"	387.6702495	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+H+NH4"	19.041099
"1485583"	135.5704495	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H+NH4"	19.041099
"403172"	527.188818	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+Na"	22.989218
"766357"	779.288618	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+Na"	22.989218
"1610080"	275.089018	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Na"	22.989218
"325586"	264.098047	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+H+Na"	23.996494
"720194"	390.147947	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+H+Na"	23.996494
"1472921"	138.048147	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H+Na"	23.996494
"1060698"	92.3678566666667	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2H+Na"	25.00377
"1262376"	285.133286	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+CH3OH+H"	33.033486
"385327"	543.162758	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+K"	38.963158
"749605"	795.262558	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+K"	38.963158
"1546189"	291.062958	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+K"	38.963158
"306645"	272.085017	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+H+K"	39.970434
"696150"	398.134917	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+H+K"	39.970434
"1450698"	146.035117	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H+K"	39.970434
"241486"	546.233426	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+ACN+H"	42.033826
"1217478"	294.133626	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+ACN+H"	42.033826
"1205737"	147.570451	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+ACN+2H"	43.041102
"197515"	549.17076	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+2Na-H"	44.97116
"637077"	801.27056	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+2Na-H"	44.97116
"1136206"	297.07096	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2Na-H"	44.97116
"179495"	275.089018	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+2Na"	45.978436
"615408"	401.138918	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+2Na"	45.978436
"1118915"	149.039118	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2Na"	45.978436
"1401712"	99.6951706666667	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H+2Na"	46.985712
"1433464"	299.112546	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H+HCOOH"	47.012746
"223888"	280.12204	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+3H2O+2H"	56.04448
"1510494"	313.16459	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+IsoProp+H"	61.06479
"409807"	283.075988	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+Na+K"	61.952376
"776279"	409.125888	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+Na+K"	61.952376
"1673709"	157.026088	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Na+K"	61.952376
"259498"	568.215368	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+ACN+Na"	64.015768
"1233302"	316.115568	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+ACN+Na"	64.015768
"1717814"	316.139093	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+NH4+HCOOH"	64.039293
"1185356"	107.022484666667	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+3Na"	68.967654
"1661813"	321.094488	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Na+HCOOH"	68.994688
"172454"	581.11864	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+2K-H"	76.91904
"610423"	833.21844	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+2K-H"	76.91904
"1097975"	329.01884	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2K-H"	76.91904
"151753"	291.062958	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"2M+2K"	77.926316
"593503"	417.112858	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"3M+2K"	77.926316
"1076921"	165.013058	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2K"	77.926316
"1103567"	331.033392	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2K+H"	78.933592
"1342141"	331.121007	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+DMSO+H"	79.021207
"1013950"	335.160176	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2ACN+H"	83.060376
"1535359"	336.153808	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+IsoProp+Na+H"	84.054008
"997432"	168.083726	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+2ACN+2H"	84.067652
"1591935"	337.068428	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+K+HCOOH"	84.968628
"1420877"	367.099938	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+H+CF3COOH"	115.000138
"1153352"	188.597001	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+3ACN+2H"	125.094202
"1701809"	384.126485	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+NH4+CF3COOH"	132.026685
"1638555"	389.08188	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+Na+CF3COOH"	136.98208
"1586237"	405.05582	"C18541"	"Trinexapac-ethyl"	"C13H16O5"	"252.0998"	"M+K+CF3COOH"	152.95602
"815508"	241.1361	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M"	0
"984669"	222.11771	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-H2O-H"	-19.01839
"70724"	159.750124	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M-3H"	-3.021828
"513567"	240.128824	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M-3H"	-3.021828
"894651"	79.371424	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-3H"	-3.021828
"6664"	240.128824	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M-2H"	-2.014552
"445132"	360.696874	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M-2H"	-2.014552
"830232"	119.560774	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-2H"	-2.014552
"88402"	481.264924	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M-H"	-1.007276
"531241"	722.401024	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M-H"	-1.007276
"910015"	240.128824	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-H"	-1.007276
"62449"	498.291471	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M-2H+NH4"	16.019271
"501519"	739.427571	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M-2H+NH4"	16.019271
"878844"	257.155371	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-2H+NH4"	16.019271
"42123"	503.246866	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M-2H+Na"	20.974666
"486058"	744.382966	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M-2H+Na"	20.974666
"859487"	262.110766	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-2H+Na"	20.974666
"1621367"	262.110766	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Na-2H"	20.974666
"100085"	258.117163	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M-H+Cl"	33.962126
"538551"	378.685213	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M-H+Cl"	33.962126
"929879"	137.549113	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-H+Cl"	33.962126
"272809"	517.241602	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+Cl"	34.969402
"660485"	758.377702	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+Cl"	34.969402
"1278728"	276.105502	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Cl"	34.969402
"21285"	519.220806	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M-2H+K"	36.948606
"456713"	760.356906	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M-2H+K"	36.948606
"847643"	278.084706	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-2H+K"	36.948606
"1562137"	278.084706	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+K-2H"	36.948606
"956950"	286.134294	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-H+HCOOH"	44.998194
"376393"	527.270401	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+HCOOH-H"	44.998201
"360642"	541.286051	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+Hac-H"	59.013851
"1508260"	300.149951	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Hac-H"	59.013851
"974173"	308.116251	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-H+NaCOOH"	66.980151
"125689"	276.105502	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+2Cl"	69.938804
"565568"	396.673552	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+2Cl"	69.938804
"1034519"	155.537452	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2Cl"	69.938804
"1253731"	320.054985	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Br"	78.918885
"1316908"	322.110972	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Cl+HCOOH"	80.974872
"1329300"	344.092929	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Cl+NaCOOH"	102.956829
"918535"	354.121686	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M-H+CF3COOH"	112.985586
"1293057"	390.098364	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Cl+CF3COOH"	148.962264
"1376321"	206.123424	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H-2H2O"	-35.012676
"1395277"	224.1334	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H-H2O"	-17.0027
"296422"	483.279476	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+H"	1.007276
"688843"	724.415576	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+H"	1.007276
"1366533"	242.143376	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H"	1.007276
"138083"	242.143376	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+2H"	2.014552
"576185"	362.711426	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+2H"	2.014552
"1042794"	121.575326	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2H"	2.014552
"215075"	161.764676	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+3H"	3.021828
"652448"	242.143376	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+3H"	3.021828
"1168386"	81.385976	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+3H"	3.021828
"430565"	500.306023	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+NH4"	18.033823
"794840"	741.442123	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+NH4"	18.033823
"1690079"	259.169923	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+NH4"	18.033823
"333982"	250.6566495	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+H+NH4"	19.041099
"727498"	371.2246995	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+H+NH4"	19.041099
"1479497"	130.0885995	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H+NH4"	19.041099
"401095"	505.261418	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+Na"	22.989218
"767560"	746.397518	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+Na"	22.989218
"1612376"	264.125318	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Na"	22.989218
"323508"	253.134347	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+H+Na"	23.996494
"721397"	373.702397	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+H+Na"	23.996494
"1469750"	132.566297	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H+Na"	23.996494
"1056434"	88.71329	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2H+Na"	25.00377
"1263578"	274.169586	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+CH3OH+H"	33.033486
"386529"	521.235358	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+K"	38.963158
"747528"	762.371458	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+K"	38.963158
"1546297"	280.099258	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+K"	38.963158
"304568"	261.121317	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+H+K"	39.970434
"702459"	381.689367	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+H+K"	39.970434
"1457373"	140.553267	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H+K"	39.970434
"248161"	524.306026	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+ACN+H"	42.033826
"1215765"	283.169926	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+ACN+H"	42.033826
"1201473"	142.088601	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+ACN+2H"	43.041102
"198718"	527.24336	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+2Na-H"	44.97116
"636094"	768.37946	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+2Na-H"	44.97116
"1136319"	286.10726	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2Na-H"	44.97116
"177781"	264.125318	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+2Na"	45.978436
"614911"	384.693368	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+2Na"	45.978436
"1117198"	143.557268	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2Na"	45.978436
"1401456"	96.040604	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H+2Na"	46.985712
"1433209"	288.148846	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H+HCOOH"	47.012746
"226914"	269.15834	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+3H2O+2H"	56.04448
"1510599"	302.20089	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+IsoProp+H"	61.06479
"410650"	272.112288	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+Na+K"	61.952376
"773109"	392.680338	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+Na+K"	61.952376
"1676368"	151.544238	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Na+K"	61.952376
"259607"	546.287968	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+ACN+Na"	64.015768
"1238149"	305.151868	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+ACN+Na"	64.015768
"1725213"	305.175393	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+NH4+HCOOH"	64.039293
"1188745"	103.367918	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+3Na"	68.967654
"1657548"	310.130788	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Na+HCOOH"	68.994688
"166597"	559.19124	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+2K-H"	76.91904
"610169"	800.32734	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+2K-H"	76.91904
"1097233"	318.05514	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2K-H"	76.91904
"152956"	280.099258	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"2M+2K"	77.926316
"592520"	400.667308	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"3M+2K"	77.926316
"1075937"	159.531208	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2K"	77.926316
"1103677"	320.069692	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2K+H"	78.933592
"1338969"	320.157307	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+DMSO+H"	79.021207
"1011873"	324.196476	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2ACN+H"	83.060376
"1535468"	325.190108	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+IsoProp+Na+H"	84.054008
"996447"	162.601876	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+2ACN+2H"	84.067652
"1592045"	326.104728	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+K+HCOOH"	84.968628
"1420988"	356.136238	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+H+CF3COOH"	115.000138
"1153462"	183.115151	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+3ACN+2H"	125.094202
"1701919"	373.162785	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+NH4+CF3COOH"	132.026685
"1640852"	378.11818	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+Na+CF3COOH"	136.98208
"1586347"	394.09212	"C18542"	"Prometryn"	"C10H19N5S"	"241.1361"	"M+K+CF3COOH"	152.95602
"813432"	460.0725	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M"	0
"983686"	441.05411	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-H2O-H"	-19.01839
"71928"	305.707724	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M-3H"	-3.021828
"509304"	459.065224	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M-3H"	-3.021828
"892212"	152.350224	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-3H"	-3.021828
"2401"	459.065224	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M-2H"	-2.014552
"445242"	689.101474	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M-2H"	-2.014552
"828518"	229.028974	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-2H"	-2.014552
"86326"	919.137724	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M-H"	-1.007276
"528071"	1379.210224	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M-H"	-1.007276
"908059"	459.065224	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-H"	-1.007276
"62312"	936.164271	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M-2H+NH4"	16.019271
"501993"	1396.236771	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M-2H+NH4"	16.019271
"878950"	476.091771	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-2H+NH4"	16.019271
"42233"	941.119666	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M-2H+Na"	20.974666
"482887"	1401.192166	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M-2H+Na"	20.974666
"854130"	481.047166	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-2H+Na"	20.974666
"1623663"	481.047166	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Na-2H"	20.974666
"102378"	477.053563	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M-H+Cl"	33.962126
"538661"	707.089813	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M-H+Cl"	33.962126
"928043"	247.017313	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-H+Cl"	33.962126
"267689"	955.114402	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+Cl"	34.969402
"660186"	1415.186902	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+Cl"	34.969402
"1276650"	495.041902	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Cl"	34.969402
"21395"	957.093606	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M-2H+K"	36.948606
"456702"	1417.166106	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M-2H+K"	36.948606
"847874"	497.021106	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-2H+K"	36.948606
"1562247"	497.021106	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+K-2H"	36.948606
"958343"	505.070694	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-H+HCOOH"	44.998194
"376668"	965.143201	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+HCOOH-H"	44.998201
"360752"	979.158851	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+Hac-H"	59.013851
"1507156"	519.086351	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Hac-H"	59.013851
"973967"	527.052651	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-H+NaCOOH"	66.980151
"125505"	495.041902	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+2Cl"	69.938804
"565592"	725.078152	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+2Cl"	69.938804
"1034264"	265.005652	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2Cl"	69.938804
"1253840"	538.991385	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Br"	78.918885
"1317746"	541.047372	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Cl+HCOOH"	80.974872
"1327587"	563.029329	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Cl+NaCOOH"	102.956829
"918645"	573.058086	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M-H+CF3COOH"	112.985586
"1294260"	609.034764	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Cl+CF3COOH"	148.962264
"1377525"	425.059824	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H-2H2O"	-35.012676
"1395386"	443.0698	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H-H2O"	-17.0027
"295439"	921.152276	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+H"	1.007276
"686037"	1381.224776	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+H"	1.007276
"1366860"	461.079776	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H"	1.007276
"139773"	461.079776	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+2H"	2.014552
"576659"	691.116026	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+2H"	2.014552
"1042175"	231.043526	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2H"	2.014552
"216644"	307.722276	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+3H"	3.021828
"651465"	461.079776	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+3H"	3.021828
"1167403"	154.364776	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+3H"	3.021828
"429582"	938.178823	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+NH4"	18.033823
"791670"	1398.251323	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+NH4"	18.033823
"1691282"	478.106323	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+NH4"	18.033823
"334092"	469.5930495	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+H+NH4"	19.041099
"727608"	699.6292995	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+H+NH4"	19.041099
"1479243"	239.5567995	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H+NH4"	19.041099
"402298"	943.134218	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+Na"	22.989218
"767670"	1403.206718	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+Na"	22.989218
"1612486"	483.061718	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Na"	22.989218
"324711"	472.070747	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+H+Na"	23.996494
"718227"	702.106997	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+H+Na"	23.996494
"1468766"	242.034497	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H+Na"	23.996494
"1057637"	161.69209	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2H+Na"	25.00377
"1263688"	493.105986	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+CH3OH+H"	33.033486
"385545"	959.108158	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+K"	38.963158
"747636"	1419.180658	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+K"	38.963158
"1548593"	499.035658	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+K"	38.963158
"304678"	480.057717	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+H+K"	39.970434
"700382"	710.093967	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+H+K"	39.970434
"1456389"	250.021467	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H+K"	39.970434
"246086"	962.178826	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+ACN+H"	42.033826
"1217698"	502.106326	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+ACN+H"	42.033826
"1200489"	251.556801	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+ACN+2H"	43.041102
"192632"	965.11616	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+2Na-H"	44.97116
"632924"	1425.18866	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+2Na-H"	44.97116
"1132902"	505.04366	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2Na-H"	44.97116
"174971"	483.061718	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+2Na"	45.978436
"615385"	713.097968	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+2Na"	45.978436
"1116942"	253.025468	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2Na"	45.978436
"1399739"	169.019404	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H+2Na"	46.985712
"1431009"	507.085246	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H+HCOOH"	47.012746
"221920"	488.09474	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+3H2O+2H"	56.04448
"1510101"	521.13729	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+IsoProp+H"	61.06479
"410400"	491.048688	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+Na+K"	61.952376
"773585"	721.084938	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+Na+K"	61.952376
"1675385"	261.012438	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Na+K"	61.952376
"263728"	984.160768	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+ACN+Na"	64.015768
"1237898"	524.088268	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+ACN+Na"	64.015768
"1725687"	524.111793	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+NH4+HCOOH"	64.039293
"1189950"	176.346718	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+3Na"	68.967654
"1657657"	529.067188	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Na+HCOOH"	68.994688
"166707"	997.06404	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+2K-H"	76.91904
"610279"	1457.13654	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+2K-H"	76.91904
"1098073"	536.99154	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2K-H"	76.91904
"149786"	499.035658	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"2M+2K"	77.926316
"593721"	729.071908	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"3M+2K"	77.926316
"1074954"	268.999408	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2K"	77.926316
"1103421"	539.006092	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2K+H"	78.933592
"1338714"	539.093707	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+DMSO+H"	79.021207
"1010889"	543.132876	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2ACN+H"	83.060376
"1534484"	544.126508	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+IsoProp+Na+H"	84.054008
"995461"	272.070076	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+2ACN+2H"	84.067652
"1592154"	545.041128	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+K+HCOOH"	84.968628
"1421095"	575.072638	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+H+CF3COOH"	115.000138
"1152479"	292.583351	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+3ACN+2H"	125.094202
"1702030"	592.099185	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+NH4+CF3COOH"	132.026685
"1639869"	597.05458	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+Na+CF3COOH"	136.98208
"1586457"	613.02852	"C18543"	"Flupoxam"	"C19H14ClF5N4O2"	"460.0725"	"M+K+CF3COOH"	152.95602
"816702"	293.136	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M"	0
"983796"	274.11761	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-H2O-H"	-19.01839
"72039"	194.416724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M-3H"	-3.021828
"506133"	292.128724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M-3H"	-3.021828
"891958"	96.704724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-3H"	-3.021828
"2512"	292.128724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M-2H"	-2.014552
"446446"	438.696724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M-2H"	-2.014552
"827535"	145.560724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-2H"	-2.014552
"88622"	585.264724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M-H"	-1.007276
"529274"	878.400724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M-H"	-1.007276
"908173"	292.128724	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-H"	-1.007276
"60968"	602.291271	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M-2H+NH4"	16.019271
"500286"	895.427271	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M-2H+NH4"	16.019271
"876996"	309.155271	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-2H+NH4"	16.019271
"42343"	607.246666	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M-2H+Na"	20.974666
"481904"	900.382666	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M-2H+Na"	20.974666
"855333"	314.110666	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-2H+Na"	20.974666
"1627053"	314.110666	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Na-2H"	20.974666
"100301"	310.117063	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M-H+Cl"	33.962126
"534312"	456.685063	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M-H+Cl"	33.962126
"929005"	163.549063	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-H+Cl"	33.962126
"268654"	621.241402	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+Cl"	34.969402
"660506"	914.377402	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+Cl"	34.969402
"1273843"	328.105402	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Cl"	34.969402
"19318"	623.220606	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M-2H+K"	36.948606
"456690"	916.356606	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M-2H+K"	36.948606
"846525"	330.084606	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-2H+K"	36.948606
"1562357"	330.084606	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+K-2H"	36.948606
"953521"	338.134194	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-H+HCOOH"	44.998194
"373925"	631.270201	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+HCOOH-H"	44.998201
"359276"	645.285851	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+Hac-H"	59.013851
"1507381"	352.149851	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Hac-H"	59.013851
"972736"	360.116151	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-H+NaCOOH"	66.980151
"125411"	328.105402	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+2Cl"	69.938804
"564970"	474.673402	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+2Cl"	69.938804
"1034010"	181.537402	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2Cl"	69.938804
"1254682"	372.054885	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Br"	78.918885
"1317856"	374.110872	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Cl+HCOOH"	80.974872
"1328791"	396.092829	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Cl+NaCOOH"	102.956829
"917662"	406.121586	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M-H+CF3COOH"	112.985586
"1301660"	442.098264	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Cl+CF3COOH"	148.962264
"1379093"	258.123324	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H-2H2O"	-35.012676
"1394403"	276.1333	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H-H2O"	-17.0027
"291539"	587.279276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+H"	1.007276
"688699"	880.415276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+H"	1.007276
"1362861"	294.143276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H"	1.007276
"137938"	294.143276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+2H"	2.014552
"574948"	440.711276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+2H"	2.014552
"1045201"	147.575276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2H"	2.014552
"216390"	196.431276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+3H"	3.021828
"652668"	294.143276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+3H"	3.021828
"1170793"	98.719276	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+3H"	3.021828
"429692"	604.305823	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+NH4"	18.033823
"791780"	897.441823	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+NH4"	18.033823
"1689934"	311.169823	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+NH4"	18.033823
"335295"	302.6565495	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+H+NH4"	19.041099
"727717"	449.2245495	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+H+NH4"	19.041099
"1479353"	156.0885495	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H+NH4"	19.041099
"399128"	609.261218	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+Na"	22.989218
"763404"	902.397218	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+Na"	22.989218
"1607128"	316.125218	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Na"	22.989218
"319351"	305.134247	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+H+Na"	23.996494
"713961"	451.702247	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+H+Na"	23.996494
"1468873"	158.566247	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H+Na"	23.996494
"1058838"	106.04659	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2H+Na"	25.00377
"1259060"	326.169486	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+CH3OH+H"	33.033486
"381280"	625.235158	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+K"	38.963158
"740820"	918.371158	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+K"	38.963158
"1542144"	332.099158	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+K"	38.963158
"302238"	313.121217	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+H+K"	39.970434
"702680"	459.689217	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+H+K"	39.970434
"1456501"	166.553217	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H+K"	39.970434
"247289"	628.305826	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+ACN+H"	42.033826
"1218902"	335.169826	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+ACN+H"	42.033826
"1200600"	168.088551	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+ACN+2H"	43.041102
"198939"	631.24316	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+2Na-H"	44.97116
"634127"	924.37916	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+2Na-H"	44.97116
"1132892"	338.10716	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2Na-H"	44.97116
"177638"	316.125218	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+2Na"	45.978436
"619385"	462.693218	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+2Na"	45.978436
"1118878"	169.557218	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2Na"	45.978436
"1400580"	113.373904	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H+2Na"	46.985712
"1433066"	340.148746	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H+HCOOH"	47.012746
"221908"	321.15824	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+3H2O+2H"	56.04448
"1513010"	354.20079	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+IsoProp+H"	61.06479
"410874"	324.112188	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+Na+K"	61.952376
"771504"	470.680188	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+Na+K"	61.952376
"1672214"	177.544188	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Na+K"	61.952376
"263475"	650.287768	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+ACN+Na"	64.015768
"1239100"	357.151768	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+ACN+Na"	64.015768
"1726405"	357.175293	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+NH4+HCOOH"	64.039293
"1188965"	120.701218	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+3Na"	68.967654
"1657766"	362.130688	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Na+HCOOH"	68.994688
"164630"	663.19104	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+2K-H"	76.91904
"611362"	956.32704	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+2K-H"	76.91904
"1098184"	370.05504	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2K-H"	76.91904
"147711"	332.099158	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"2M+2K"	77.926316
"589456"	478.667158	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"3M+2K"	77.926316
"1068700"	185.531158	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2K"	77.926316
"1102072"	372.069592	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2K+H"	78.933592
"1336636"	372.157207	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+DMSO+H"	79.021207
"1008810"	376.196376	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2ACN+H"	83.060376
"1528033"	377.190008	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+IsoProp+Na+H"	84.054008
"991927"	188.601826	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+2ACN+2H"	84.067652
"1587889"	378.104628	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+K+HCOOH"	84.968628
"1414232"	408.136138	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+H+CF3COOH"	115.000138
"1152587"	209.115101	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+3ACN+2H"	125.094202
"1702140"	425.162685	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+NH4+CF3COOH"	132.026685
"1637792"	430.11808	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+Na+CF3COOH"	136.98208
"1586567"	446.09202	"C18544"	"Simeconazole"	"C14H20FN3OSi"	"293.136"	"M+K+CF3COOH"	152.95602
"814745"	393.2416	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M"	0
"980629"	374.22321	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-H2O-H"	-19.01839
"69964"	261.153790666667	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M-3H"	-3.021828
"511713"	392.234324	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M-3H"	-3.021828
"893161"	130.073257333333	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-3H"	-3.021828
"13197"	392.234324	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M-2H"	-2.014552
"449838"	588.855124	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M-2H"	-2.014552
"821086"	195.613524	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-2H"	-2.014552
"79986"	785.475924	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M-H"	-1.007276
"520639"	1178.717524	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M-H"	-1.007276
"901721"	392.234324	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-H"	-1.007276
"57191"	802.502471	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M-2H+NH4"	16.019271
"496749"	1195.744071	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M-2H+NH4"	16.019271
"875282"	409.260871	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-2H+NH4"	16.019271
"33705"	807.457866	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M-2H+Na"	20.974666
"477639"	1200.699466	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M-2H+Na"	20.974666
"858721"	414.216266	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-2H+Na"	20.974666
"1620603"	414.216266	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Na-2H"	20.974666
"96037"	410.222663	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M-H+Cl"	33.962126
"534346"	606.843463	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M-H+Cl"	33.962126
"929115"	213.601863	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-H+Cl"	33.962126
"267913"	821.452602	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+Cl"	34.969402
"663374"	1214.694202	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+Cl"	34.969402
"1273832"	428.211002	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Cl"	34.969402
"25993"	823.431806	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M-2H+K"	36.948606
"461177"	1216.673406	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M-2H+K"	36.948606
"847691"	430.190206	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-2H+K"	36.948606
"1570940"	430.190206	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+K-2H"	36.948606
"957159"	438.239794	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-H+HCOOH"	44.998194
"374035"	831.481401	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+HCOOH-H"	44.998201
"360236"	845.497051	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+Hac-H"	59.013851
"1507735"	452.255451	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Hac-H"	59.013851
"972480"	460.221751	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-H+NaCOOH"	66.980151
"122482"	428.211002	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+2Cl"	69.938804
"559488"	624.831802	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+2Cl"	69.938804
"1033390"	231.590202	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2Cl"	69.938804
"1246771"	472.160485	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Br"	78.918885
"1312501"	474.216472	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Cl+HCOOH"	80.974872
"1328902"	496.198429	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Cl+NaCOOH"	102.956829
"918865"	506.227186	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M-H+CF3COOH"	112.985586
"1301768"	542.203864	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Cl+CF3COOH"	148.962264
"1381026"	358.228924	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H-2H2O"	-35.012676
"1393420"	376.2389	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H-H2O"	-17.0027
"293105"	787.490476	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+H"	1.007276
"685529"	1180.732076	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+H"	1.007276
"1364064"	394.248876	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H"	1.007276
"138048"	394.248876	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+2H"	2.014552
"578338"	590.869676	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+2H"	2.014552
"1042031"	197.628076	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2H"	2.014552
"212124"	263.168342666667	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+3H"	3.021828
"649497"	394.248876	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+3H"	3.021828
"1167624"	132.087809333333	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+3H"	3.021828
"433081"	804.517023	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+NH4"	18.033823
"794079"	1197.758623	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+NH4"	18.033823
"1684943"	411.275423	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+NH4"	18.033823
"332126"	402.7621495	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+H+NH4"	19.041099
"724910"	599.3829495	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+H+NH4"	19.041099
"1486025"	206.1413495	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H+NH4"	19.041099
"402518"	809.472418	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+Na"	22.989218
"758046"	1202.714018	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+Na"	22.989218
"1610517"	416.230818	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Na"	22.989218
"324930"	405.239847	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+H+Na"	23.996494
"708117"	601.860647	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+H+Na"	23.996494
"1464610"	208.619047	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H+Na"	23.996494
"1056763"	139.415123333333	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2H+Na"	25.00377
"1263908"	426.275086	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+CH3OH+H"	33.033486
"381391"	825.446358	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+K"	38.963158
"741660"	1218.687958	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+K"	38.963158
"1542253"	432.204758	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+K"	38.963158
"300888"	413.226817	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+H+K"	39.970434
"697322"	609.847617	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+H+K"	39.970434
"1457703"	216.606017	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H+K"	39.970434
"248133"	828.517026	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+ACN+H"	42.033826
"1220106"	435.275426	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+ACN+H"	42.033826
"1202898"	218.141351	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+ACN+2H"	43.041102
"190667"	831.45436	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+2Na-H"	44.97116
"629252"	1224.69596	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+2Na-H"	44.97116
"1134464"	438.21276	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2Na-H"	44.97116
"176655"	416.230818	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+2Na"	45.978436
"617309"	612.851618	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+2Na"	45.978436
"1117899"	219.610018	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2Na"	45.978436
"1398992"	146.742437333333	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H+2Na"	46.985712
"1434269"	440.254346	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H+HCOOH"	47.012746
"221899"	421.26384	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+3H2O+2H"	56.04448
"1513122"	454.30639	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+IsoProp+H"	61.06479
"413901"	424.217788	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+Na+K"	61.952376
"777087"	620.838588	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+Na+K"	61.952376
"1674512"	227.596988	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Na+K"	61.952376
"264317"	850.498968	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+ACN+Na"	64.015768
"1239939"	457.257368	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+ACN+Na"	64.015768
"1727004"	457.280893	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+NH4+HCOOH"	64.039293
"1192722"	154.069751333333	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+3Na"	68.967654
"1660064"	462.236288	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Na+HCOOH"	68.994688
"169117"	863.40224	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+2K-H"	76.91904
"606493"	1256.64384	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+2K-H"	76.91904
"1094286"	470.16064	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2K-H"	76.91904
"150010"	432.204758	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"2M+2K"	77.926316
"588473"	628.825558	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"3M+2K"	77.926316
"1071163"	235.583958	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2K"	77.926316
"1102183"	472.175192	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2K+H"	78.933592
"1339662"	472.262807	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+DMSO+H"	79.021207
"1007101"	476.301976	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2ACN+H"	83.060376
"1527050"	477.295608	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+IsoProp+Na+H"	84.054008
"992766"	238.654626	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+2ACN+2H"	84.067652
"1590189"	478.210228	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+K+HCOOH"	84.968628
"1417308"	508.241738	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+H+CF3COOH"	115.000138
"1150514"	259.167901	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+3ACN+2H"	125.094202
"1701160"	525.268285	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+NH4+CF3COOH"	132.026685
"1638997"	530.22368	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+Na+CF3COOH"	136.98208
"1586677"	546.19762	"C18545"	"Cyenopyrafen"	"C24H31N3O2"	"393.2416"	"M+K+CF3COOH"	152.95602
"815827"	370.8304	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M"	0
"984014"	351.81201	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-H2O-H"	-19.01839
"74444"	246.212990666667	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M-3H"	-3.021828
"514007"	369.823124	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M-3H"	-3.021828
"893633"	122.602857333333	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-3H"	-3.021828
"8201"	369.823124	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M-2H"	-2.014552
"445575"	555.238324	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M-2H"	-2.014552
"822290"	184.407924	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-2H"	-2.014552
"80095"	740.653524	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M-H"	-1.007276
"524030"	1111.483924	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M-H"	-1.007276
"898550"	369.823124	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-H"	-1.007276
"56935"	757.680071	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M-2H+NH4"	16.019271
"496858"	1128.510471	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M-2H+NH4"	16.019271
"874660"	386.849671	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-2H+NH4"	16.019271
"33815"	762.635466	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M-2H+Na"	20.974666
"477749"	1133.465866	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M-2H+Na"	20.974666
"858831"	391.805066	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-2H+Na"	20.974666
"1618888"	391.805066	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Na-2H"	20.974666
"96147"	387.811463	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M-H+Cl"	33.962126
"534342"	573.226663	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M-H+Cl"	33.962126
"929225"	202.396263	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-H+Cl"	33.962126
"269968"	776.630202	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+Cl"	34.969402
"663484"	1147.460602	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+Cl"	34.969402
"1274427"	405.799802	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Cl"	34.969402
"26103"	778.609406	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M-2H+K"	36.948606
"464567"	1149.439806	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M-2H+K"	36.948606
"848209"	407.779006	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-2H+K"	36.948606
"1570237"	407.779006	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+K-2H"	36.948606
"957025"	415.828594	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-H+HCOOH"	44.998194
"374145"	786.659001	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+HCOOH-H"	44.998201
"359492"	800.674651	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+Hac-H"	59.013851
"1506874"	429.844251	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Hac-H"	59.013851
"973321"	437.810551	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-H+NaCOOH"	66.980151
"122957"	405.799802	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+2Cl"	69.938804
"560692"	591.215002	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+2Cl"	69.938804
"1034594"	220.384602	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2Cl"	69.938804
"1247974"	449.749285	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Br"	78.918885
"1312609"	451.805272	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Cl+HCOOH"	80.974872
"1333021"	473.787229	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Cl+NaCOOH"	102.956829
"922255"	483.815986	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M-H+CF3COOH"	112.985586
"1302608"	519.792664	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Cl+CF3COOH"	148.962264
"1381864"	335.817724	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H-2H2O"	-35.012676
"1395353"	353.8277	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H-H2O"	-17.0027
"293215"	742.668076	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+H"	1.007276
"686730"	1113.498476	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+H"	1.007276
"1366725"	371.837676	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H"	1.007276
"139614"	371.837676	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+2H"	2.014552
"580269"	557.252876	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+2H"	2.014552
"1042141"	186.422476	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2H"	2.014552
"208954"	248.227542666667	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+3H"	3.021828
"649607"	371.837676	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+3H"	3.021828
"1168827"	124.617409333333	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+3H"	3.021828
"428817"	759.694623	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+NH4"	18.033823
"792002"	1130.525023	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+NH4"	18.033823
"1685053"	388.864223	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+NH4"	18.033823
"330777"	380.3509495	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+H+NH4"	19.041099
"725020"	565.7661495	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+H+NH4"	19.041099
"1487228"	194.9357495	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H+NH4"	19.041099
"402628"	764.650018	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+Na"	22.989218
"759249"	1135.480418	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+Na"	22.989218
"1607347"	393.819618	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Na"	22.989218
"322853"	382.828647	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+H+Na"	23.996494
"710899"	568.243847	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+H+Na"	23.996494
"1466906"	197.413447	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H+Na"	23.996494
"1059059"	131.944723333333	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2H+Na"	25.00377
"1265111"	403.863886	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+CH3OH+H"	33.033486
"383687"	780.623958	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+K"	38.963158
"745776"	1151.454358	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+K"	38.963158
"1545643"	409.793558	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+K"	38.963158
"306101"	390.815617	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+H+K"	39.970434
"701804"	576.230817	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+H+K"	39.970434
"1456720"	205.400417	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H+K"	39.970434
"248243"	783.694626	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+ACN+H"	42.033826
"1222409"	412.864226	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+ACN+H"	42.033826
"1203008"	206.935751	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+ACN+2H"	43.041102
"189803"	786.63196	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+2Na-H"	44.97116
"630337"	1157.46236	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+2Na-H"	44.97116
"1131667"	415.80156	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2Na-H"	44.97116
"174578"	393.819618	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+2Na"	45.978436
"614260"	579.234818	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+2Na"	45.978436
"1118009"	208.404418	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2Na"	45.978436
"1399104"	139.272037333333	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H+2Na"	46.985712
"1434379"	417.843146	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H+HCOOH"	47.012746
"222982"	398.85264	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+3H2O+2H"	56.04448
"1513232"	431.89519	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+IsoProp+H"	61.06479
"411824"	401.806588	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+Na+K"	61.952376
"783758"	587.221788	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+Na+K"	61.952376
"1678996"	216.391388	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Na+K"	61.952376
"264427"	805.676568	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+ACN+Na"	64.015768
"1240659"	434.846168	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+ACN+Na"	64.015768
"1728210"	434.869693	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+NH4+HCOOH"	64.039293
"1193683"	146.599351333333	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+3Na"	68.967654
"1661268"	439.825088	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Na+HCOOH"	68.994688
"170315"	818.57984	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+2K-H"	76.91904
"604409"	1189.41024	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+2K-H"	76.91904
"1096579"	447.74944	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2K-H"	76.91904
"153398"	409.793558	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"2M+2K"	77.926316
"590767"	595.208758	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"3M+2K"	77.926316
"1074189"	224.378358	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2K"	77.926316
"1103390"	449.763992	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2K+H"	78.933592
"1340502"	449.851607	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+DMSO+H"	79.021207
"1007695"	453.890776	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2ACN+H"	83.060376
"1526430"	454.884408	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+IsoProp+Na+H"	84.054008
"992510"	227.449026	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+2ACN+2H"	84.067652
"1592486"	455.799028	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+K+HCOOH"	84.968628
"1417055"	485.830538	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+H+CF3COOH"	115.000138
"1150624"	247.962301	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+3ACN+2H"	125.094202
"1702363"	502.857085	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+NH4+CF3COOH"	132.026685
"1642387"	507.81248	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+Na+CF3COOH"	136.98208
"1586787"	523.78642	"C18546"	"Ioxynil"	"C7H3I2NO"	"370.8304"	"M+K+CF3COOH"	152.95602
"813872"	342.0327	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M"	0
"989595"	323.01431	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-H2O-H"	-19.01839
"76380"	227.014524	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M-3H"	-3.021828
"511930"	341.025424	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M-3H"	-3.021828
"890827"	113.003624	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-3H"	-3.021828
"14874"	341.025424	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M-2H"	-2.014552
"446779"	512.041774	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M-2H"	-2.014552
"828960"	170.009074	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-2H"	-2.014552
"83487"	683.058124	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M-H"	-1.007276
"524141"	1025.090824	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M-H"	-1.007276
"907775"	341.025424	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-H"	-1.007276
"57408"	700.084671	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M-2H+NH4"	16.019271
"499158"	1042.117371	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M-2H+NH4"	16.019271
"877324"	358.051971	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-2H+NH4"	16.019271
"43406"	705.040066	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M-2H+Na"	20.974666
"483330"	1047.072766	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M-2H+Na"	20.974666
"860036"	363.007366	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-2H+Na"	20.974666
"1627385"	363.007366	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Na-2H"	20.974666
"102821"	359.013763	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M-H+Cl"	33.962126
"536915"	530.030113	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M-H+Cl"	33.962126
"932616"	187.997413	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-H+Cl"	33.962126
"274453"	719.034802	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+Cl"	34.969402
"660672"	1061.067502	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+Cl"	34.969402
"1274173"	377.002102	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Cl"	34.969402
"24753"	721.014006	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M-2H+K"	36.948606
"464677"	1063.046706	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M-2H+K"	36.948606
"846128"	378.981306	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-2H+K"	36.948606
"1570225"	378.981306	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+K-2H"	36.948606
"956772"	387.030894	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-H+HCOOH"	44.998194
"374987"	729.063601	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+HCOOH-H"	44.998201
"360699"	743.079251	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+Hac-H"	59.013851
"1507711"	401.046551	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Hac-H"	59.013851
"973794"	409.012851	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-H+NaCOOH"	66.980151
"124161"	377.002102	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+2Cl"	69.938804
"563359"	548.018452	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+2Cl"	69.938804
"1035804"	205.985752	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2Cl"	69.938804
"1255374"	420.951585	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Br"	78.918885
"1316728"	423.007572	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Cl+HCOOH"	80.974872
"1333862"	444.989529	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Cl+NaCOOH"	102.956829
"926622"	455.018286	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M-H+CF3COOH"	112.985586
"1301993"	490.994964	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Cl+CF3COOH"	148.962264
"1380880"	307.020024	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H-2H2O"	-35.012676
"1396191"	325.03	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H-H2O"	-17.0027
"296971"	685.072676	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+H"	1.007276
"689394"	1027.105376	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+H"	1.007276
"1365742"	343.039976	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H"	1.007276
"141065"	343.039976	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+2H"	2.014552
"577099"	514.056326	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+2H"	2.014552
"1048452"	172.023626	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2H"	2.014552
"209064"	229.029076	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+3H"	3.021828
"649718"	343.039976	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+3H"	3.021828
"1165655"	115.018176	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+3H"	3.021828
"426743"	702.099223	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+NH4"	18.033823
"788831"	1044.131923	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+NH4"	18.033823
"1681514"	360.066523	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+NH4"	18.033823
"334535"	351.5532495	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+H+NH4"	19.041099
"726955"	522.5695995	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+H+NH4"	19.041099
"1485152"	180.5368995	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H+NH4"	19.041099
"402738"	707.054618	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+Na"	22.989218
"761547"	1049.087318	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+Na"	22.989218
"1611832"	365.021918	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Na"	22.989218
"326244"	354.030947	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+H+Na"	23.996494
"714291"	525.047297	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+H+Na"	23.996494
"1469205"	183.014597	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H+Na"	23.996494
"1063545"	122.34549	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2H+Na"	25.00377
"1266317"	375.066186	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+CH3OH+H"	33.033486
"388172"	723.028558	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+K"	38.963158
"745888"	1065.061258	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+K"	38.963158
"1547941"	380.995858	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+K"	38.963158
"309495"	362.017917	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+H+K"	39.970434
"705927"	533.034267	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+H+K"	39.970434
"1460111"	191.001567	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H+K"	39.970434
"249450"	726.099226	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+ACN+H"	42.033826
"1223612"	384.066526	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+ACN+H"	42.033826
"1205304"	192.536901	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+ACN+2H"	43.041102
"190524"	729.03656	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+2Na-H"	44.97116
"630080"	1071.06926	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+2Na-H"	44.97116
"1140153"	387.00386	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2Na-H"	44.97116
"177970"	365.021918	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+2Na"	45.978436
"621904"	536.038268	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+2Na"	45.978436
"1121036"	194.005568	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2Na"	45.978436
"1404561"	129.672804	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H+2Na"	46.985712
"1438863"	389.045446	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H+HCOOH"	47.012746
"224187"	370.05494	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+3H2O+2H"	56.04448
"1515531"	403.09749	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+IsoProp+H"	61.06479
"414123"	373.008888	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+Na+K"	61.952376
"782775"	544.025238	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+Na+K"	61.952376
"1679472"	201.992538	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Na+K"	61.952376
"264904"	748.081168	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+ACN+Na"	64.015768
"1239071"	406.048468	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+ACN+Na"	64.015768
"1726500"	406.071993	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+NH4+HCOOH"	64.039293
"1193553"	137.000118	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+3Na"	68.967654
"1660285"	411.027388	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Na+HCOOH"	68.994688
"169332"	760.98444	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+2K-H"	76.91904
"610599"	1103.01714	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+2K-H"	76.91904
"1099000"	418.95174	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2K-H"	76.91904
"155817"	380.995858	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"2M+2K"	77.926316
"591972"	552.012208	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"3M+2K"	77.926316
"1077578"	209.979508	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2K"	77.926316
"1103134"	420.966292	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2K+H"	78.933592
"1339519"	421.053907	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+DMSO+H"	79.021207
"1011330"	425.093076	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2ACN+H"	83.060376
"1533829"	426.086708	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+IsoProp+Na+H"	84.054008
"999183"	213.050176	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+2ACN+2H"	84.067652
"1590408"	427.001328	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+K+HCOOH"	84.968628
"1417163"	457.032838	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+H+CF3COOH"	115.000138
"1151827"	233.563451	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+3ACN+2H"	125.094202
"1702473"	474.059385	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+NH4+CF3COOH"	132.026685
"1642497"	479.01478	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+Na+CF3COOH"	136.98208
"1586897"	494.98872	"C18547"	"Boscalid"	"C18H12Cl2N2O"	"342.0327"	"M+K+CF3COOH"	152.95602
"815075"	269.1416	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M"	0
"989626"	250.12321	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-H2O-H"	-19.01839
"77948"	178.420457333333	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M-3H"	-3.021828
"512040"	268.134324	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M-3H"	-3.021828
"893852"	88.7065906666667	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-3H"	-3.021828
"14620"	268.134324	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M-2H"	-2.014552
"445796"	402.705124	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M-2H"	-2.014552
"829073"	133.563524	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-2H"	-2.014552
"86877"	537.275924	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M-H"	-1.007276
"528626"	806.417524	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M-H"	-1.007276
"907886"	268.134324	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-H"	-1.007276
"60073"	554.302471	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M-2H+NH4"	16.019271
"500850"	823.444071	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M-2H+NH4"	16.019271
"878527"	285.160871	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-2H+NH4"	16.019271
"43881"	559.257866	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M-2H+Na"	20.974666
"485262"	828.399466	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M-2H+Na"	20.974666
"861245"	290.116266	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-2H+Na"	20.974666
"1629682"	290.116266	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Na-2H"	20.974666
"105120"	286.122663	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M-H+Cl"	33.962126
"539213"	420.693463	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M-H+Cl"	33.962126
"932726"	151.551863	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-H+Cl"	33.962126
"275657"	573.252602	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+Cl"	34.969402
"669171"	842.394202	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+Cl"	34.969402
"1277200"	304.111002	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Cl"	34.969402
"29969"	575.231806	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M-2H+K"	36.948606
"464787"	844.373406	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M-2H+K"	36.948606
"846238"	306.090206	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-2H+K"	36.948606
"1571204"	306.090206	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+K-2H"	36.948606
"958315"	314.139794	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-H+HCOOH"	44.998194
"375461"	583.281401	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+HCOOH-H"	44.998201
"359476"	597.297051	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+Hac-H"	59.013851
"1505635"	328.155451	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Hac-H"	59.013851
"971718"	336.121751	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-H+NaCOOH"	66.980151
"121355"	304.111002	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+2Cl"	69.938804
"563101"	438.681802	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+2Cl"	69.938804
"1034816"	169.540202	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2Cl"	69.938804
"1254756"	348.060485	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Br"	78.918885
"1315745"	350.116472	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Cl+HCOOH"	80.974872
"1334705"	372.098429	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Cl+NaCOOH"	102.956829
"925396"	382.127186	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M-H+CF3COOH"	112.985586
"1304093"	418.103864	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Cl+CF3COOH"	148.962264
"1379898"	234.128924	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H-2H2O"	-35.012676
"1393384"	252.1389	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H-H2O"	-17.0027
"295988"	539.290476	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+H"	1.007276
"689138"	808.432076	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+H"	1.007276
"1361476"	270.148876	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H"	1.007276
"141173"	270.148876	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+2H"	2.014552
"576116"	404.719676	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+2H"	2.014552
"1049291"	135.578076	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2H"	2.014552
"206989"	180.435009333333	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+3H"	3.021828
"647643"	270.148876	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+3H"	3.021828
"1167951"	90.7211426666667	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+3H"	3.021828
"425634"	556.317023	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+NH4"	18.033823
"788943"	825.458623	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+NH4"	18.033823
"1685273"	287.175423	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+NH4"	18.033823
"336833"	278.6621495	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+H+NH4"	19.041099
"735813"	413.2329495	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+H+NH4"	19.041099
"1488178"	144.0913495	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H+NH4"	19.041099
"401755"	561.272418	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+Na"	22.989218
"767126"	830.414018	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+Na"	22.989218
"1614130"	292.130818	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Na"	22.989218
"328542"	281.139847	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+H+Na"	23.996494
"718777"	415.710647	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+H+Na"	23.996494
"1470410"	146.569047	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H+Na"	23.996494
"1067667"	98.0484566666667	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2H+Na"	25.00377
"1271857"	302.175086	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+CH3OH+H"	33.033486
"390473"	577.246358	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+K"	38.963158
"753172"	846.387958	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+K"	38.963158
"1554254"	308.104758	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+K"	38.963158
"313496"	289.126817	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+H+K"	39.970434
"707035"	423.697617	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+H+K"	39.970434
"1461246"	154.556017	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H+K"	39.970434
"249924"	580.317026	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+ACN+H"	42.033826
"1224816"	311.175426	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+ACN+H"	42.033826
"1208818"	156.091351	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+ACN+2H"	43.041102
"197195"	583.25436	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+2Na-H"	44.97116
"634568"	852.39596	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+2Na-H"	44.97116
"1142451"	314.11276	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2Na-H"	44.97116
"185736"	292.130818	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+2Na"	45.978436
"619830"	426.701618	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+2Na"	45.978436
"1125523"	157.560018	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2Na"	45.978436
"1412327"	105.375770666667	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H+2Na"	46.985712
"1441162"	316.154346	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H+HCOOH"	47.012746
"233045"	297.16384	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+3H2O+2H"	56.04448
"1518922"	330.20639	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+IsoProp+H"	61.06479
"422621"	300.117788	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+Na+K"	61.952376
"784348"	434.688588	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+Na+K"	61.952376
"1680921"	165.546988	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Na+K"	61.952376
"266111"	602.298968	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+ACN+Na"	64.015768
"1240884"	333.157368	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+ACN+Na"	64.015768
"1728263"	333.180893	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+NH4+HCOOH"	64.039293
"1193909"	112.703084666667	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+3Na"	68.967654
"1660395"	338.136288	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Na+HCOOH"	68.994688
"171629"	615.20224	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+2K-H"	76.91904
"612574"	884.34384	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+2K-H"	76.91904
"1098746"	346.06064	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2K-H"	76.91904
"156778"	308.104758	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"2M+2K"	77.926316
"592082"	442.675558	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"3M+2K"	77.926316
"1079877"	173.533958	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2K"	77.926316
"1108714"	348.075192	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2K+H"	78.933592
"1345097"	348.162807	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+DMSO+H"	79.021207
"1011440"	352.201976	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2ACN+H"	83.060376
"1537220"	353.195608	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+IsoProp+Na+H"	84.054008
"1001480"	176.604626	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+2ACN+2H"	84.067652
"1592706"	354.110228	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+K+HCOOH"	84.968628
"1416180"	384.141738	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+H+CF3COOH"	115.000138
"1153030"	197.117901	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+3ACN+2H"	125.094202
"1703676"	401.168285	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+NH4+CF3COOH"	132.026685
"1642607"	406.12368	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+Na+CF3COOH"	136.98208
"1587007"	422.09762	"C18548"	"Mepronil"	"C17H19NO2"	"269.1416"	"M+K+CF3COOH"	152.95602
"814092"	394.0741	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M"	0
"987627"	375.05571	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-H2O-H"	-19.01839
"75871"	261.708790666667	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M-3H"	-3.021828
"516525"	393.066824	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M-3H"	-3.021828
"891043"	130.350757333333	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-3H"	-3.021828
"7431"	393.066824	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M-2H"	-2.014552
"453921"	590.103874	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M-2H"	-2.014552
"830266"	196.029774	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-2H"	-2.014552
"86980"	787.140924	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M-H"	-1.007276
"527632"	1181.215024	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M-H"	-1.007276
"899967"	393.066824	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-H"	-1.007276
"56530"	804.167471	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M-2H+NH4"	16.019271
"493902"	1198.241571	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M-2H+NH4"	16.019271
"865871"	410.093371	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-2H+NH4"	16.019271
"46256"	809.122866	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M-2H+Na"	20.974666
"485731"	1203.196966	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M-2H+Na"	20.974666
"862814"	415.048766	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-2H+Na"	20.974666
"1631983"	415.048766	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Na-2H"	20.974666
"108142"	411.055163	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M-H+Cl"	33.962126
"547340"	608.092213	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M-H+Cl"	33.962126
"935021"	214.018113	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-H+Cl"	33.962126
"275766"	823.117602	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+Cl"	34.969402
"670375"	1217.191702	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+Cl"	34.969402
"1278404"	429.043502	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Cl"	34.969402
"22052"	825.096806	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M-2H+K"	36.948606
"459425"	1219.170906	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M-2H+K"	36.948606
"835040"	431.022706	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-2H+K"	36.948606
"1557798"	431.022706	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+K-2H"	36.948606
"951878"	439.072294	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-H+HCOOH"	44.998194
"367907"	833.146401	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+HCOOH-H"	44.998201
"351790"	847.162051	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+Hac-H"	59.013851
"1505370"	453.087951	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Hac-H"	59.013851
"967078"	461.054251	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-H+NaCOOH"	66.980151
"124375"	429.043502	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+2Cl"	69.938804
"561744"	626.080552	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+2Cl"	69.938804
"1033824"	232.006452	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2Cl"	69.938804
"1255960"	472.992985	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Br"	78.918885
"1319789"	475.048972	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Cl+HCOOH"	80.974872
"1334813"	497.030929	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Cl+NaCOOH"	102.956829
"925869"	507.059686	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M-H+CF3COOH"	112.985586
"1304143"	543.036364	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Cl+CF3COOH"	148.962264
"1382075"	359.061424	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H-2H2O"	-35.012676
"1398286"	377.0714	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H-H2O"	-17.0027
"297192"	789.155476	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+H"	1.007276
"689613"	1183.229576	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+H"	1.007276
"1366571"	395.081376	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H"	1.007276
"140555"	395.081376	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+2H"	2.014552
"578411"	592.118426	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+2H"	2.014552
"1051949"	198.044326	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2H"	2.014552
"216571"	263.723342666667	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+3H"	3.021828
"656131"	395.081376	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+3H"	3.021828
"1174622"	132.365309333333	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+3H"	3.021828
"433522"	806.182023	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+NH4"	18.033823
"792330"	1200.256123	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+NH4"	18.033823
"1692671"	412.107923	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+NH4"	18.033823
"341312"	403.5946495	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+H+NH4"	19.041099
"731548"	600.6316995	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+H+NH4"	19.041099
"1488648"	206.5575995	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H+NH4"	19.041099
"396394"	811.137418	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+Na"	22.989218
"766139"	1205.211518	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+Na"	22.989218
"1613143"	417.063318	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Na"	22.989218
"327556"	406.072347	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+H+Na"	23.996494
"719980"	603.109397	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+H+Na"	23.996494
"1476840"	209.035297	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H+Na"	23.996494
"1068297"	139.692623333333	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2H+Na"	25.00377
"1271885"	427.107586	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+CH3OH+H"	33.033486
"391308"	827.111358	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+K"	38.963158
"751575"	1221.185458	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+K"	38.963158
"1547064"	433.037258	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+K"	38.963158
"309711"	414.059317	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+H+K"	39.970434
"702132"	611.096367	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+H+K"	39.970434
"1452671"	217.022267	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H+K"	39.970434
"250022"	830.182026	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+ACN+H"	42.033826
"1216168"	436.107926	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+ACN+H"	42.033826
"1201145"	218.557601	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+ACN+2H"	43.041102
"192922"	833.11936	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+2Na-H"	44.97116
"635761"	1227.19346	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+2Na-H"	44.97116
"1143655"	439.04526	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2Na-H"	44.97116
"186579"	417.063318	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+2Na"	45.978436
"625774"	614.100368	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+2Na"	45.978436
"1127823"	220.026268	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2Na"	45.978436
"1408066"	147.019937333333	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H+2Na"	46.985712
"1443462"	441.086846	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H+HCOOH"	47.012746
"235226"	422.09634	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+3H2O+2H"	56.04448
"1520124"	455.13889	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+IsoProp+H"	61.06479
"419810"	425.050288	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+Na+K"	61.952376
"773151"	622.087338	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+Na+K"	61.952376
"1670576"	228.013238	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Na+K"	61.952376
"255272"	852.163968	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+ACN+Na"	64.015768
"1230897"	458.089868	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+ACN+Na"	64.015768
"1715409"	458.113393	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+NH4+HCOOH"	64.039293
"1178932"	154.347251333333	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+3Na"	68.967654
"1655030"	463.068788	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Na+HCOOH"	68.994688
"172841"	865.06724	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+2K-H"	76.91904
"612030"	1259.14134	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+2K-H"	76.91904
"1099578"	470.99314	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2K-H"	76.91904
"156638"	433.037258	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"2M+2K"	77.926316
"588910"	630.074308	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"3M+2K"	77.926316
"1078891"	236.000208	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2K"	77.926316
"1114165"	473.007692	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2K+H"	78.933592
"1345207"	473.095307	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+DMSO+H"	79.021207
"1012642"	477.134476	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2ACN+H"	83.060376
"1534049"	478.128108	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+IsoProp+Na+H"	84.054008
"1003778"	239.070876	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+2ACN+2H"	84.067652
"1601197"	479.042728	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+K+HCOOH"	84.968628
"1422846"	509.074238	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+H+CF3COOH"	115.000138
"1149854"	259.584151	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+3ACN+2H"	125.094202
"1701593"	526.100785	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+NH4+CF3COOH"	132.026685
"1636153"	531.05618	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+Na+CF3COOH"	136.98208
"1571803"	547.03012	"C18549"	"Diflufenican"	"C19H11F5N2O2"	"394.0741"	"M+K+CF3COOH"	152.95602
"813109"	267.0233	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M"	0
"988466"	248.00491	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-H2O-H"	-19.01839
"73795"	177.008257333333	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M-3H"	-3.021828
"513356"	266.016024	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M-3H"	-3.021828
"891153"	88.0004906666667	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-3H"	-3.021828
"10821"	266.016024	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M-2H"	-2.014552
"451475"	399.527674	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M-2H"	-2.014552
"831100"	132.504374	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-2H"	-2.014552
"84902"	533.039324	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M-H"	-1.007276
"524462"	800.062624	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M-H"	-1.007276
"900077"	266.016024	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-H"	-1.007276
"57733"	550.065871	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M-2H+NH4"	16.019271
"492919"	817.089171	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M-2H+NH4"	16.019271
"867439"	283.042571	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-2H+NH4"	16.019271
"45190"	555.021266	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M-2H+Na"	20.974666
"484020"	822.044566	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M-2H+Na"	20.974666
"862559"	287.997966	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-2H+Na"	20.974666
"1632822"	287.997966	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Na-2H"	20.974666
"107161"	284.004363	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M-H+Cl"	33.962126
"547815"	417.516013	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M-H+Cl"	33.962126
"935131"	150.492713	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-H+Cl"	33.962126
"273688"	569.016002	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+Cl"	34.969402
"666111"	836.039302	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+Cl"	34.969402
"1280700"	301.992702	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Cl"	34.969402
"16937"	570.995206	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M-2H+K"	36.948606
"457348"	838.018506	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M-2H+K"	36.948606
"833569"	303.971906	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-2H+K"	36.948606
"1557544"	303.971906	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+K-2H"	36.948606
"949801"	312.021494	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-H+HCOOH"	44.998194
"366923"	579.044801	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+HCOOH-H"	44.998201
"352992"	593.060451	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+Hac-H"	59.013851
"1504020"	326.037151	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Hac-H"	59.013851
"967188"	334.003451	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-H+NaCOOH"	66.980151
"124484"	301.992702	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+2Cl"	69.938804
"561125"	435.504352	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+2Cl"	69.938804
"1033570"	168.481052	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2Cl"	69.938804
"1255342"	345.942185	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Br"	78.918885
"1319490"	347.998172	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Cl+HCOOH"	80.974872
"1335522"	369.980129	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Cl+NaCOOH"	102.956829
"926223"	380.008886	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M-H+CF3COOH"	112.985586
"1304142"	415.985564	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Cl+CF3COOH"	148.962264
"1381578"	232.010624	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H-2H2O"	-35.012676
"1397739"	250.0206	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H-H2O"	-17.0027
"297181"	535.053876	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+H"	1.007276
"690452"	802.077176	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+H"	1.007276
"1366438"	268.030576	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H"	1.007276
"140057"	268.030576	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+2H"	2.014552
"580832"	401.542226	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+2H"	2.014552
"1051330"	134.518926	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2H"	2.014552
"206595"	179.022809333333	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+3H"	3.021828
"654054"	268.030576	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+3H"	3.021828
"1171452"	90.0150426666667	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+3H"	3.021828
"430351"	552.080423	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+NH4"	18.033823
"789160"	819.103723	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+NH4"	18.033823
"1692051"	285.057123	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+NH4"	18.033823
"333767"	276.5438495	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+H+NH4"	19.041099
"731657"	410.0554995	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+H+NH4"	19.041099
"1482197"	143.0321995	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H+NH4"	19.041099
"396504"	557.035818	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+Na"	22.989218
"766249"	824.059118	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+Na"	22.989218
"1613253"	290.012518	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Na"	22.989218
"328517"	279.021547	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+H+Na"	23.996494
"718997"	412.533197	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+H+Na"	23.996494
"1476222"	145.509897	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H+Na"	23.996494
"1068008"	97.3423566666667	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2H+Na"	25.00377
"1269929"	300.056786	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+CH3OH+H"	33.033486
"390689"	573.009758	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+K"	38.963158
"753023"	840.033058	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+K"	38.963158
"1548268"	305.986458	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+K"	38.963158
"310914"	287.008517	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+H+K"	39.970434
"701149"	420.520167	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+H+K"	39.970434
"1453874"	153.496867	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H+K"	39.970434
"249039"	576.080426	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+ACN+H"	42.033826
"1215185"	309.057126	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+ACN+H"	42.033826
"1201255"	155.032201	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+ACN+2H"	43.041102
"193032"	579.01776	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+2Na-H"	44.97116
"632590"	846.04106	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+2Na-H"	44.97116
"1141939"	311.99446	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2Na-H"	44.97116
"181585"	290.012518	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+2Na"	45.978436
"620052"	423.524168	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+2Na"	45.978436
"1121372"	156.500868	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2Na"	45.978436
"1405989"	104.669670666667	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H+2Na"	46.985712
"1437011"	314.036046	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H+HCOOH"	47.012746
"232173"	295.04554	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+3H2O+2H"	56.04448
"1518047"	328.08809	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+IsoProp+H"	61.06479
"412266"	297.999488	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+Na+K"	61.952376
"770708"	431.511138	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+Na+K"	61.952376
"1668863"	164.487838	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Na+K"	61.952376
"253195"	598.062368	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+ACN+Na"	64.015768
"1228820"	331.039068	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+ACN+Na"	64.015768
"1715519"	331.062593	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+NH4+HCOOH"	64.039293
"1180138"	111.996984666667	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+3Na"	68.967654
"1653318"	336.017988	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Na+HCOOH"	68.994688
"172787"	610.96564	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+2K-H"	76.91904
"612140"	877.98894	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+2K-H"	76.91904
"1098958"	343.94234	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2K-H"	76.91904
"155897"	305.986458	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"2M+2K"	77.926316
"589020"	439.498108	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"3M+2K"	77.926316
"1079001"	172.474808	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2K"	77.926316
"1114033"	345.956892	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2K+H"	78.933592
"1344223"	346.044507	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+DMSO+H"	79.021207
"1011659"	350.083676	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2ACN+H"	83.060376
"1531972"	351.077308	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+IsoProp+Na+H"	84.054008
"999513"	175.545476	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+2ACN+2H"	84.067652
"1597295"	351.991928	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+K+HCOOH"	84.968628
"1424051"	382.023438	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+H+CF3COOH"	115.000138
"1159806"	196.058751	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+3ACN+2H"	125.094202
"1704981"	399.049985	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+NH4+CF3COOH"	132.026685
"1636263"	404.00538	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+Na+CF3COOH"	136.98208
"1571913"	419.97932	"C18550"	"Tiadinil"	"C11H10ClN3OS"	"267.0233"	"M+K+CF3COOH"	152.95602
"815405"	258.9603	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M"	0
"987849"	239.94191	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-H2O-H"	-19.01839
"74998"	171.632924	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M-3H"	-3.021828
"515288"	257.953024	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M-3H"	-3.021828
"891628"	85.312824	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-3H"	-3.021828
"10567"	257.953024	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M-2H"	-2.014552
"454382"	387.433174	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M-2H"	-2.014552
"832349"	128.472874	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-2H"	-2.014552
"85012"	516.913324	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M-H"	-1.007276
"522385"	775.873624	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M-H"	-1.007276
"900187"	257.953024	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-H"	-1.007276
"54563"	533.939871	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M-2H+NH4"	16.019271
"491936"	792.900171	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M-2H+NH4"	16.019271
"866091"	274.979571	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-2H+NH4"	16.019271
"43842"	538.895266	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M-2H+Na"	20.974666
"483766"	797.855566	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M-2H+Na"	20.974666
"861938"	279.934966	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-2H+Na"	20.974666
"1631838"	279.934966	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Na-2H"	20.974666
"106540"	275.941363	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M-H+Cl"	33.962126
"546098"	405.421513	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M-H+Cl"	33.962126
"936701"	146.461213	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-H+Cl"	33.962126
"276353"	552.890002	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+Cl"	34.969402
"670231"	811.850302	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+Cl"	34.969402
"1283364"	293.929702	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Cl"	34.969402
"22273"	554.869206	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M-2H+K"	36.948606
"458553"	813.829506	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M-2H+K"	36.948606
"836353"	295.908906	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-2H+K"	36.948606
"1558748"	295.908906	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+K-2H"	36.948606
"951005"	303.958494	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-H+HCOOH"	44.998194
"369220"	562.918801	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+HCOOH-H"	44.998201
"353102"	576.934451	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+Hac-H"	59.013851
"1503034"	317.974151	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Hac-H"	59.013851
"967298"	325.940451	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-H+NaCOOH"	66.980151
"124229"	293.929702	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+2Cl"	69.938804
"561600"	423.409852	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+2Cl"	69.938804
"1033316"	164.449552	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2Cl"	69.938804
"1256955"	337.879185	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Br"	78.918885
"1318871"	339.935172	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Cl+HCOOH"	80.974872
"1334432"	361.917129	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Cl+NaCOOH"	102.956829
"926821"	371.945886	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M-H+CF3COOH"	112.985586
"1303893"	407.922564	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Cl+CF3COOH"	148.962264
"1382504"	223.947624	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H-2H2O"	-35.012676
"1397938"	241.9576	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H-H2O"	-17.0027
"298347"	518.927876	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+H"	1.007276
"689470"	777.888176	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+H"	1.007276
"1366430"	259.967576	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H"	1.007276
"139809"	259.967576	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+2H"	2.014552
"580701"	389.447726	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+2H"	2.014552
"1050718"	130.487426	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2H"	2.014552
"217885"	173.647476	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+3H"	3.021828
"654529"	259.967576	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+3H"	3.021828
"1170470"	87.327376	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+3H"	3.021828
"434836"	535.954423	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+NH4"	18.033823
"793644"	794.914723	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+NH4"	18.033823
"1692161"	276.994123	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+NH4"	18.033823
"334970"	268.4808495	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+H+NH4"	19.041099
"732861"	397.9609995	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+H+NH4"	19.041099
"1483400"	139.0006995	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H+NH4"	19.041099
"399894"	540.909818	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+Na"	22.989218
"765265"	799.870118	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+Na"	22.989218
"1614459"	281.949518	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Na"	22.989218
"328386"	270.958547	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+H+Na"	23.996494
"721173"	400.438697	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+H+Na"	23.996494
"1476331"	141.478397	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H+Na"	23.996494
"1068079"	94.65469	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2H+Na"	25.00377
"1271497"	291.993786	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+CH3OH+H"	33.033486
"390799"	556.883758	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+K"	38.963158
"751431"	815.844058	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+K"	38.963158
"1546192"	297.923458	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+K"	38.963158
"310296"	278.945517	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+H+K"	39.970434
"702352"	408.425667	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+H+K"	39.970434
"1453984"	149.465367	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H+K"	39.970434
"248785"	559.954426	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+ACN+H"	42.033826
"1216388"	300.994126	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+ACN+H"	42.033826
"1202458"	151.000701	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+ACN+2H"	43.041102
"193142"	562.89176	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+2Na-H"	44.97116
"634159"	821.85206	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+2Na-H"	44.97116
"1141684"	303.93146	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2Na-H"	44.97116
"184977"	281.949518	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+2Na"	45.978436
"622349"	411.429668	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+2Na"	45.978436
"1121846"	152.469368	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2Na"	45.978436
"1408285"	101.982004	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H+2Na"	46.985712
"1442226"	305.973046	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H+HCOOH"	47.012746
"234109"	286.98254	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+3H2O+2H"	56.04448
"1521805"	320.02509	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+IsoProp+H"	61.06479
"420762"	289.936488	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+Na+K"	61.952376
"780662"	419.416638	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+Na+K"	61.952376
"1671890"	160.456338	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Na+K"	61.952376
"254398"	581.936368	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+ACN+Na"	64.015768
"1230023"	322.976068	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+ACN+Na"	64.015768
"1715629"	322.999593	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+NH4+HCOOH"	64.039293
"1179764"	109.309318	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+3Na"	68.967654
"1654157"	327.954988	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Na+HCOOH"	68.994688
"172571"	594.83964	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+2K-H"	76.91904
"612131"	853.79994	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+2K-H"	76.91904
"1098947"	335.87934	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2K-H"	76.91904
"156866"	297.923458	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"2M+2K"	77.926316
"595329"	427.403608	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"3M+2K"	77.926316
"1079111"	168.443308	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2K"	77.926316
"1113901"	337.893892	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2K+H"	78.933592
"1344333"	337.981507	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+DMSO+H"	79.021207
"1017237"	342.020676	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2ACN+H"	83.060376
"1530989"	343.014308	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+IsoProp+Na+H"	84.054008
"998530"	171.513976	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+2ACN+2H"	84.067652
"1596313"	343.928928	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+K+HCOOH"	84.968628
"1425255"	373.960438	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+H+CF3COOH"	115.000138
"1154449"	192.027251	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+3ACN+2H"	125.094202
"1705092"	390.986985	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+NH4+CF3COOH"	132.026685
"1638558"	395.94238	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+Na+CF3COOH"	136.98208
"1571657"	411.91632	"C18551"	"Fluoroimide"	"C10H4Cl2FNO2"	"258.9603"	"M+K+CF3COOH"	152.95602
"815515"	395.9826	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M"	0
"986499"	376.96421	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-H2O-H"	-19.01839
"74016"	262.981124	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M-3H"	-3.021828
"512483"	394.975324	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M-3H"	-3.021828
"891378"	130.986924	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-3H"	-3.021828
"15417"	394.975324	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M-2H"	-2.014552
"455347"	592.966624	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M-2H"	-2.014552
"832055"	196.984024	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-2H"	-2.014552
"84029"	790.957924	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M-H"	-1.007276
"520184"	1186.940524	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M-H"	-1.007276
"899203"	394.975324	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-H"	-1.007276
"56860"	807.984471	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M-2H+NH4"	16.019271
"492046"	1203.967071	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M-2H+NH4"	16.019271
"866322"	412.001871	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-2H+NH4"	16.019271
"43951"	812.939866	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M-2H+Na"	20.974666
"482782"	1208.922466	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M-2H+Na"	20.974666
"862409"	416.957266	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-2H+Na"	20.974666
"1632675"	416.957266	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Na-2H"	20.974666
"106647"	412.963663	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M-H+Cl"	33.962126
"545845"	610.954963	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M-H+Cl"	33.962126
"940453"	214.972363	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-H+Cl"	33.962126
"277190"	826.934602	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+Cl"	34.969402
"672161"	1222.917202	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+Cl"	34.969402
"1284566"	430.952002	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Cl"	34.969402
"22383"	828.913806	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M-2H+K"	36.948606
"459756"	1224.896406	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M-2H+K"	36.948606
"836463"	432.931206	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-2H+K"	36.948606
"1562138"	432.931206	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+K-2H"	36.948606
"954396"	440.980794	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-H+HCOOH"	44.998194
"369329"	836.963401	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+HCOOH-H"	44.998201
"352119"	850.979051	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+Hac-H"	59.013851
"1503144"	454.996451	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Hac-H"	59.013851
"966313"	462.962751	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-H+NaCOOH"	66.980151
"123609"	430.952002	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+2Cl"	69.938804
"562439"	628.943302	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+2Cl"	69.938804
"1031238"	232.960702	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2Cl"	69.938804
"1257003"	474.901485	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Br"	78.918885
"1318861"	476.957472	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Cl+HCOOH"	80.974872
"1335498"	498.939429	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Cl+NaCOOH"	102.956829
"926567"	508.968186	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M-H+CF3COOH"	112.985586
"1302665"	544.944864	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Cl+CF3COOH"	148.962264
"1381680"	360.969924	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H-2H2O"	-35.012676
"1398293"	378.9799	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H-H2O"	-17.0027
"294971"	792.972476	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+H"	1.007276
"691165"	1188.955076	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+H"	1.007276
"1366296"	396.989876	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H"	1.007276
"140969"	396.989876	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+2H"	2.014552
"581143"	594.981176	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+2H"	2.014552
"1052287"	198.998576	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2H"	2.014552
"219456"	264.995676	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+3H"	3.021828
"659379"	396.989876	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+3H"	3.021828
"1171673"	133.001476	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+3H"	3.021828
"434946"	809.999023	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+NH4"	18.033823
"790474"	1205.981623	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+NH4"	18.033823
"1694094"	414.016423	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+NH4"	18.033823
"341643"	405.5031495	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+H+NH4"	19.041099
"734065"	603.4944495	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+H+NH4"	19.041099
"1490802"	207.5118495	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H+NH4"	19.041099
"406565"	814.954418	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+Na"	22.989218
"765375"	1210.937018	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+Na"	22.989218
"1617939"	418.971818	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Na"	22.989218
"328986"	407.980847	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+H+Na"	23.996494
"721166"	605.972147	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+H+Na"	23.996494
"1476813"	209.989547	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H+Na"	23.996494
"1067375"	140.32879	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2H+Na"	25.00377
"1272591"	429.016086	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+CH3OH+H"	33.033486
"390909"	830.928358	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+K"	38.963158
"752998"	1226.910958	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+K"	38.963158
"1546302"	434.945758	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+K"	38.963158
"310040"	415.967817	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+H+K"	39.970434
"702462"	613.959117	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+H+K"	39.970434
"1453001"	217.976517	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H+K"	39.970434
"250960"	833.999026	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+ACN+H"	42.033826
"1217591"	438.016426	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+ACN+H"	42.033826
"1202568"	219.511851	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+ACN+2H"	43.041102
"197625"	836.93636	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+2Na-H"	44.97116
"636092"	1232.91896	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+2Na-H"	44.97116
"1138507"	440.95376	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2Na-H"	44.97116
"183988"	418.971818	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+2Na"	45.978436
"625375"	616.963118	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+2Na"	45.978436
"1124872"	220.980518	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2Na"	45.978436
"1409854"	147.656104	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H+2Na"	46.985712
"1443067"	442.995346	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H+HCOOH"	47.012746
"234585"	424.00484	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+3H2O+2H"	56.04448
"1521187"	457.04739	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+IsoProp+H"	61.06479
"420508"	426.958788	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+Na+K"	61.952376
"780772"	624.950088	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+Na+K"	61.952376
"1672000"	228.967488	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Na+K"	61.952376
"253415"	855.980968	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+ACN+Na"	64.015768
"1229040"	459.998368	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+ACN+Na"	64.015768
"1719019"	460.021893	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+NH4+HCOOH"	64.039293
"1178818"	154.983418	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+3Na"	68.967654
"1653174"	464.977288	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Na+HCOOH"	68.994688
"172477"	868.88424	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+2K-H"	76.91904
"612689"	1264.86684	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+2K-H"	76.91904
"1098571"	472.90164	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2K-H"	76.91904
"156243"	434.945758	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"2M+2K"	77.926316
"595560"	632.937058	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"3M+2K"	77.926316
"1082869"	236.954458	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2K"	77.926316
"1114374"	474.916192	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2K+H"	78.933592
"1346631"	475.003807	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+DMSO+H"	79.021207
"1018442"	479.042976	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2ACN+H"	83.060376
"1533287"	480.036608	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+IsoProp+Na+H"	84.054008
"1000829"	240.025126	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+2ACN+2H"	84.067652
"1600798"	480.951228	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+K+HCOOH"	84.968628
"1425365"	510.982738	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+H+CF3COOH"	115.000138
"1155653"	260.538401	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+3ACN+2H"	125.094202
"1705202"	528.009285	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+NH4+CF3COOH"	132.026685
"1639759"	532.96468	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+Na+CF3COOH"	136.98208
"1571768"	548.93862	"C18552"	"Ethiprole"	"C13H9Cl2F3N4OS"	"395.9826"	"M+K+CF3COOH"	152.95602
"815266"	410.1052	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M"	0
"984787"	391.08681	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-H2O-H"	-19.01839
"75220"	272.396190666667	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M-3H"	-3.021828
"515871"	409.097924	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M-3H"	-3.021828
"890395"	135.694457333333	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-3H"	-3.021828
"15042"	409.097924	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M-2H"	-2.014552
"453628"	614.150524	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M-2H"	-2.014552
"832163"	204.045324	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-2H"	-2.014552
"84139"	819.203124	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M-H"	-1.007276
"520052"	1229.308324	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M-H"	-1.007276
"897125"	409.097924	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-H"	-1.007276
"55877"	836.229671	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M-2H+NH4"	16.019271
"492156"	1246.334871	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M-2H+NH4"	16.019271
"865582"	426.124471	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-2H+NH4"	16.019271
"44428"	841.185066	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M-2H+Na"	20.974666
"485810"	1251.290266	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M-2H+Na"	20.974666
"863251"	431.079866	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-2H+Na"	20.974666
"1633512"	431.079866	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Na-2H"	20.974666
"108220"	427.086263	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M-H+Cl"	33.962126
"548871"	632.138863	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M-H+Cl"	33.962126
"941291"	222.033663	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-H+Cl"	33.962126
"280580"	855.179802	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+Cl"	34.969402
"672999"	1265.285002	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+Cl"	34.969402
"1283216"	445.074602	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Cl"	34.969402
"22493"	857.159006	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M-2H+K"	36.948606
"459866"	1267.264206	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M-2H+K"	36.948606
"837667"	447.053806	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-2H+K"	36.948606
"1565528"	447.053806	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+K-2H"	36.948606
"955599"	455.103394	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-H+HCOOH"	44.998194
"369439"	865.208601	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+HCOOH-H"	44.998201
"353323"	879.224251	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+Hac-H"	59.013851
"1502160"	469.119051	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Hac-H"	59.013851
"966423"	477.085351	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-H+NaCOOH"	66.980151
"120436"	445.074602	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+2Cl"	69.938804
"559267"	650.127202	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+2Cl"	69.938804
"1031348"	240.022002	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2Cl"	69.938804
"1256034"	489.024085	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Br"	78.918885
"1313376"	491.080072	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Cl+HCOOH"	80.974872
"1333060"	513.062029	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Cl+NaCOOH"	102.956829
"924850"	523.090786	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M-H+CF3COOH"	112.985586
"1303502"	559.067464	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Cl+CF3COOH"	148.962264
"1382029"	375.092524	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H-2H2O"	-35.012676
"1394663"	393.1025	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H-H2O"	-17.0027
"296781"	821.217676	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+H"	1.007276
"690417"	1231.322876	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+H"	1.007276
"1366283"	411.112476	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H"	1.007276
"141116"	411.112476	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+2H"	2.014552
"581190"	616.165076	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+2H"	2.014552
"1052028"	206.059876	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2H"	2.014552
"208628"	274.410742666667	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+3H"	3.021828
"658029"	411.112476	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+3H"	3.021828
"1173969"	137.709009333333	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+3H"	3.021828
"433961"	838.244223	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+NH4"	18.033823
"794957"	1248.349423	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+NH4"	18.033823
"1692381"	428.139023	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+NH4"	18.033823
"341753"	419.6257495	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+H+NH4"	19.041099
"734174"	624.6783495	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+H+NH4"	19.041099
"1486902"	214.5731495	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H+NH4"	19.041099
"396833"	843.199618	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+Na"	22.989218
"765485"	1253.304818	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+Na"	22.989218
"1617599"	433.094418	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Na"	22.989218
"328850"	422.103447	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+H+Na"	23.996494
"721517"	627.156047	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+H+Na"	23.996494
"1476678"	217.050847	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H+Na"	23.996494
"1067486"	145.036323333333	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2H+Na"	25.00377
"1271354"	443.138686	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+CH3OH+H"	33.033486
"391020"	859.173558	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+K"	38.963158
"752016"	1269.278758	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+K"	38.963158
"1546413"	449.068358	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+K"	38.963158
"309056"	430.090417	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+H+K"	39.970434
"701479"	635.143017	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+H+K"	39.970434
"1450924"	225.037817	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H+K"	39.970434
"248275"	862.244226	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+ACN+H"	42.033826
"1215515"	452.139026	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+ACN+H"	42.033826
"1199398"	226.573151	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+ACN+2H"	43.041102
"194455"	865.18156	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+2Na-H"	44.97116
"635108"	1275.28676	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+2Na-H"	44.97116
"1133149"	455.07636	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2Na-H"	44.97116
"183005"	433.094418	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+2Na"	45.978436
"620380"	638.147018	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+2Na"	45.978436
"1125346"	228.041818	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2Na"	45.978436
"1410328"	152.363637333333	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H+2Na"	46.985712
"1437339"	457.117946	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H+HCOOH"	47.012746
"233966"	438.12744	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+3H2O+2H"	56.04448
"1520930"	471.16999	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+IsoProp+H"	61.06479
"421710"	441.081388	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+Na+K"	61.952376
"777966"	646.133988	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+Na+K"	61.952376
"1672110"	236.028788	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Na+K"	61.952376
"252429"	884.226168	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+ACN+Na"	64.015768
"1228057"	474.120968	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+ACN+Na"	64.015768
"1715849"	474.144493	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+NH4+HCOOH"	64.039293
"1179617"	159.690951333333	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+3Na"	68.967654
"1652189"	479.099888	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Na+HCOOH"	68.994688
"172667"	897.12944	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+2K-H"	76.91904
"612430"	1307.23464	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+2K-H"	76.91904
"1098195"	487.02424	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2K-H"	76.91904
"156797"	449.068358	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"2M+2K"	77.926316
"595912"	654.120958	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"3M+2K"	77.926316
"1083544"	244.015758	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2K"	77.926316
"1113633"	489.038792	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2K+H"	78.933592
"1346741"	489.126407	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+DMSO+H"	79.021207
"1017460"	493.165576	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2ACN+H"	83.060376
"1535585"	494.159208	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+IsoProp+Na+H"	84.054008
"997659"	247.086426	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+2ACN+2H"	84.067652
"1598722"	495.073828	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+K+HCOOH"	84.968628
"1426570"	525.105338	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+H+CF3COOH"	115.000138
"1160138"	267.599701	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+3ACN+2H"	125.094202
"1705313"	542.131885	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+NH4+CF3COOH"	132.026685
"1637683"	547.08728	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+Na+CF3COOH"	136.98208
"1572607"	563.06122	"C18553"	"Spirodiclofen"	"C21H24Cl2O4"	"410.1052"	"M+K+CF3COOH"	152.95602
"814642"	412.0204	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M"	0
"987451"	393.00201	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-H2O-H"	-19.01839
"75331"	273.672990666667	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M-3H"	-3.021828
"514890"	411.013124	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M-3H"	-3.021828
"894756"	136.332857333333	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-3H"	-3.021828
"14182"	411.013124	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M-2H"	-2.014552
"454833"	617.023324	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M-2H"	-2.014552
"831544"	205.002924	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-2H"	-2.014552
"83157"	823.033524	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M-H"	-1.007276
"521622"	1235.053924	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M-H"	-1.007276
"896383"	411.013124	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-H"	-1.007276
"54894"	840.060071	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M-2H+NH4"	16.019271
"495547"	1252.080471	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M-2H+NH4"	16.019271
"873348"	428.039671	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-2H+NH4"	16.019271
"42715"	845.015466	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M-2H+Na"	20.974666
"482639"	1257.035866	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M-2H+Na"	20.974666
"863771"	432.995066	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-2H+Na"	20.974666
"1633985"	432.995066	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Na-2H"	20.974666
"109468"	429.001463	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M-H+Cl"	33.962126
"549269"	635.011663	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M-H+Cl"	33.962126
"941767"	222.991263	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-H+Cl"	33.962126
"279596"	859.010202	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+Cl"	34.969402
"672018"	1271.030602	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+Cl"	34.969402
"1283326"	446.989802	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Cl"	34.969402
"22602"	860.989406	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M-2H+K"	36.948606
"462163"	1273.009806	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M-2H+K"	36.948606
"841057"	448.969006	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-2H+K"	36.948606
"1562358"	448.969006	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+K-2H"	36.948606
"949147"	457.018594	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-H+HCOOH"	44.998194
"367362"	869.039001	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+HCOOH-H"	44.998201
"355620"	883.054651	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+Hac-H"	59.013851
"1500084"	471.034251	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Hac-H"	59.013851
"964346"	479.000551	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-H+NaCOOH"	66.980151
"119453"	446.989802	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+2Cl"	69.938804
"557191"	653.000002	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+2Cl"	69.938804
"1031094"	240.979602	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2Cl"	69.938804
"1255049"	490.939285	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Br"	78.918885
"1316767"	492.995272	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Cl+HCOOH"	80.974872
"1333539"	514.977229	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Cl+NaCOOH"	102.956829
"923866"	525.005986	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M-H+CF3COOH"	112.985586
"1302033"	560.982664	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Cl+CF3COOH"	148.962264
"1380559"	377.007724	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H-2H2O"	-35.012676
"1397939"	395.0177	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H-H2O"	-17.0027
"295190"	825.048076	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+H"	1.007276
"689434"	1237.068476	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+H"	1.007276
"1362503"	413.027676	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H"	1.007276
"138675"	413.027676	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+2H"	2.014552
"578599"	619.037876	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+2H"	2.014552
"1050315"	207.017476	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2H"	2.014552
"207646"	275.687542666667	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+3H"	3.021828
"652672"	413.027676	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+3H"	3.021828
"1168612"	138.347409333333	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+3H"	3.021828
"427512"	842.074623	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+NH4"	18.033823
"785826"	1254.095023	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+NH4"	18.033823
"1691398"	430.054223	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+NH4"	18.033823
"341863"	421.5409495	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+H+NH4"	19.041099
"732097"	627.5511495	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+H+NH4"	19.041099
"1483731"	215.5307495	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H+NH4"	19.041099
"396943"	847.030018	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+Na"	22.989218
"762314"	1259.050418	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+Na"	22.989218
"1618238"	435.009618	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Na"	22.989218
"328960"	424.018647	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+H+Na"	23.996494
"721626"	630.028847	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+H+Na"	23.996494
"1475444"	218.008447	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H+Na"	23.996494
"1064315"	145.674723333333	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2H+Na"	25.00377
"1270368"	445.053886	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+CH3OH+H"	33.033486
"390036"	863.003958	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+K"	38.963158
"753219"	1275.024358	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+K"	38.963158
"1546523"	450.983558	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+K"	38.963158
"306979"	432.005617	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+H+K"	39.970434
"701589"	638.015817	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+H+K"	39.970434
"1453221"	225.995417	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H+K"	39.970434
"246199"	866.074626	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+ACN+H"	42.033826
"1217813"	454.054226	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+ACN+H"	42.033826
"1205706"	227.530751	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+ACN+2H"	43.041102
"197847"	869.01196	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+2Na-H"	44.97116
"636312"	1281.03236	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+2Na-H"	44.97116
"1132895"	456.99156	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2Na-H"	44.97116
"183115"	435.009618	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+2Na"	45.978436
"620490"	641.019818	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+2Na"	45.978436
"1125456"	228.999418	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2Na"	45.978436
"1407886"	153.002037333333	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H+2Na"	46.985712
"1436356"	459.033146	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H+HCOOH"	47.012746
"230425"	440.04264	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+3H2O+2H"	56.04448
"1519947"	473.08519	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+IsoProp+H"	61.06479
"421820"	442.996588	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+Na+K"	61.952376
"782817"	649.006788	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+Na+K"	61.952376
"1671491"	236.986388	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Na+K"	61.952376
"258739"	888.056568	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+ACN+Na"	64.015768
"1235822"	476.036168	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+ACN+Na"	64.015768
"1721427"	476.059693	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+NH4+HCOOH"	64.039293
"1182406"	160.329351333333	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+3Na"	68.967654
"1657767"	481.015088	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Na+HCOOH"	68.994688
"171559"	900.95984	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+2K-H"	76.91904
"610756"	1312.98024	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+2K-H"	76.91904
"1094174"	488.93944	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2K-H"	76.91904
"153182"	450.983558	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"2M+2K"	77.926316
"596960"	656.993758	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"3M+2K"	77.926316
"1082723"	244.973358	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2K"	77.926316
"1111557"	490.953992	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2K+H"	78.933592
"1345757"	491.041607	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+DMSO+H"	79.021207
"1015384"	495.080776	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2ACN+H"	83.060376
"1536788"	496.074408	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+IsoProp+Na+H"	84.054008
"1002142"	248.044026	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+2ACN+2H"	84.067652
"1599925"	496.989028	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+K+HCOOH"	84.968628
"1428137"	527.020538	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+H+CF3COOH"	115.000138
"1160249"	268.557301	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+3ACN+2H"	125.094202
"1709799"	544.047085	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+NH4+CF3COOH"	132.026685
"1646542"	549.00248	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+Na+CF3COOH"	136.98208
"1573446"	564.97642	"C18554"	"Pyraflufen-ethyl"	"C15H13Cl2F3N2O4"	"412.0204"	"M+K+CF3COOH"	152.95602
"814752"	430.0851	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M"	0
"989383"	411.06671	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-H2O-H"	-19.01839
"76898"	285.716124	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M-3H"	-3.021828
"514999"	429.077824	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M-3H"	-3.021828
"894865"	142.354424	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-3H"	-3.021828
"14653"	429.077824	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M-2H"	-2.014552
"453118"	644.120374	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M-2H"	-2.014552
"824359"	214.035274	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-2H"	-2.014552
"86547"	859.162924	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M-H"	-1.007276
"519057"	1289.248024	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M-H"	-1.007276
"899535"	429.077824	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-H"	-1.007276
"52817"	876.189471	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M-2H+NH4"	16.019271
"489096"	1306.274571	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M-2H+NH4"	16.019271
"864353"	446.104371	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-2H+NH4"	16.019271
"42460"	881.144866	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M-2H+Na"	20.974666
"482020"	1311.229966	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M-2H+Na"	20.974666
"863229"	451.059766	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-2H+Na"	20.974666
"1632883"	451.059766	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Na-2H"	20.974666
"109169"	447.066163	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M-H+Cl"	33.962126
"547268"	662.108713	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M-H+Cl"	33.962126
"940785"	232.023613	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-H+Cl"	33.962126
"276427"	895.139602	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+Cl"	34.969402
"673951"	1325.224702	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+Cl"	34.969402
"1284166"	465.054502	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Cl"	34.969402
"26358"	897.118806	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M-2H+K"	36.948606
"461181"	1327.203906	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M-2H+K"	36.948606
"837888"	467.033706	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-2H+K"	36.948606
"1561375"	467.033706	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+K-2H"	36.948606
"949259"	475.083294	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-H+HCOOH"	44.998194
"365288"	905.168401	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+HCOOH-H"	44.998201
"349172"	919.184051	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+Hac-H"	59.013851
"1502383"	489.098951	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Hac-H"	59.013851
"964459"	497.065251	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-H+NaCOOH"	66.980151
"119927"	465.054502	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+2Cl"	69.938804
"557301"	680.097052	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+2Cl"	69.938804
"1035217"	250.011952	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2Cl"	69.938804
"1252973"	509.003985	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Br"	78.918885
"1314691"	511.059972	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Cl+HCOOH"	80.974872
"1332917"	533.041929	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Cl+NaCOOH"	102.956829
"924343"	543.070686	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M-H+CF3COOH"	112.985586
"1303237"	579.047364	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Cl+CF3COOH"	148.962264
"1381521"	395.072424	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H-2H2O"	-35.012676
"1397682"	413.0824	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H-H2O"	-17.0027
"295300"	861.177476	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+H"	1.007276
"688451"	1291.262576	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+H"	1.007276
"1365408"	431.092376	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H"	1.007276
"138055"	431.092376	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+2H"	2.014552
"578344"	646.134926	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+2H"	2.014552
"1048967"	216.049826	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2H"	2.014552
"206663"	287.730676	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+3H"	3.021828
"646222"	431.092376	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+3H"	3.021828
"1163089"	144.368976	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+3H"	3.021828
"426528"	878.204023	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+NH4"	18.033823
"785856"	1308.289123	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+NH4"	18.033823
"1693695"	448.118923	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+NH4"	18.033823
"341973"	439.6056495	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+H+NH4"	19.041099
"732207"	654.6481995	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+H+NH4"	19.041099
"1483841"	224.5630995	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H+NH4"	19.041099
"397053"	883.159418	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+Na"	22.989218
"762424"	1313.244518	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+Na"	22.989218
"1617335"	453.074318	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Na"	22.989218
"327125"	442.083347	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+H+Na"	23.996494
"721130"	657.125897	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+H+Na"	23.996494
"1475312"	227.040797	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H+Na"	23.996494
"1064425"	151.69629	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2H+Na"	25.00377
"1269385"	463.118586	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+CH3OH+H"	33.033486
"387960"	899.133358	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+K"	38.963158
"752965"	1329.218458	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+K"	38.963158
"1546633"	469.048258	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+K"	38.963158
"305996"	450.070317	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+H+K"	39.970434
"703887"	665.112867	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+H+K"	39.970434
"1455518"	235.027767	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H+K"	39.970434
"247403"	902.204026	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+ACN+H"	42.033826
"1216830"	472.118926	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+ACN+H"	42.033826
"1202901"	236.563101	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+ACN+2H"	43.041102
"200144"	905.14136	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+2Na-H"	44.97116
"635329"	1335.22646	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+2Na-H"	44.97116
"1135557"	475.05626	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2Na-H"	44.97116
"183225"	453.074318	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+2Na"	45.978436
"620600"	668.116868	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+2Na"	45.978436
"1124109"	238.031768	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2Na"	45.978436
"1407632"	159.023604	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H+2Na"	46.985712
"1436466"	477.097846	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H+HCOOH"	47.012746
"230535"	458.10734	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+3H2O+2H"	56.04448
"1516410"	491.14989	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+IsoProp+H"	61.06479
"411722"	461.061288	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+Na+K"	61.952376
"778186"	676.103838	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+Na+K"	61.952376
"1671236"	246.018738	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Na+K"	61.952376
"251922"	924.185968	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+ACN+Na"	64.015768
"1232652"	494.100868	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+ACN+Na"	64.015768
"1719350"	494.124393	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+NH4+HCOOH"	64.039293
"1181422"	166.350918	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+3Na"	68.967654
"1658971"	499.079788	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Na+HCOOH"	68.994688
"170455"	937.08924	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+2K-H"	76.91904
"611595"	1367.17434	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+2K-H"	76.91904
"1095377"	507.00414	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2K-H"	76.91904
"156697"	469.048258	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"2M+2K"	77.926316
"596378"	684.090808	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"3M+2K"	77.926316
"1083078"	254.005708	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2K"	77.926316
"1114949"	509.018692	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2K+H"	78.933592
"1344774"	509.106307	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+DMSO+H"	79.021207
"1016586"	513.145476	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2ACN+H"	83.060376
"1535805"	514.139108	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+IsoProp+Na+H"	84.054008
"1000065"	257.076376	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+2ACN+2H"	84.067652
"1598942"	515.053728	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+K+HCOOH"	84.968628
"1427883"	545.085238	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+H+CF3COOH"	115.000138
"1159631"	277.589651	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+3ACN+2H"	125.094202
"1710638"	562.111785	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+NH4+CF3COOH"	132.026685
"1643372"	567.06718	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+Na+CF3COOH"	136.98208
"1572463"	583.04112	"C18555"	"Benzofenap"	"C22H20Cl2N2O3"	"430.0851"	"M+K+CF3COOH"	152.95602
"816645"	402.0538	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M"	0
"988276"	383.03541	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-H2O-H"	-19.01839
"76640"	267.028590666667	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M-3H"	-3.021828
"516199"	401.046524	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M-3H"	-3.021828
"890719"	133.010657333333	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-3H"	-3.021828
"14761"	401.046524	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M-2H"	-2.014552
"451041"	602.073424	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M-2H"	-2.014552
"825560"	200.019624	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-2H"	-2.014552
"82283"	803.100324	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M-H"	-1.007276
"519409"	1205.154124	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M-H"	-1.007276
"902925"	401.046524	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-H"	-1.007276
"48552"	820.126871	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M-2H+NH4"	16.019271
"487623"	1222.180671	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M-2H+NH4"	16.019271
"864575"	418.073071	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-2H+NH4"	16.019271
"43662"	825.082266	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M-2H+Na"	20.974666
"485897"	1227.136066	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M-2H+Na"	20.974666
"862368"	423.028466	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-2H+Na"	20.974666
"1632993"	423.028466	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Na-2H"	20.974666
"107459"	419.034863	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M-H+Cl"	33.962126
"546650"	620.061763	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M-H+Cl"	33.962126
"941871"	218.007963	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-H+Cl"	33.962126
"280910"	839.077002	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+Cl"	34.969402
"672968"	1241.130802	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+Cl"	34.969402
"1286951"	437.023202	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Cl"	34.969402
"26104"	841.056206	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M-2H+K"	36.948606
"467487"	1243.110006	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M-2H+K"	36.948606
"835811"	439.002406	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-2H+K"	36.948606
"1563672"	439.002406	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+K-2H"	36.948606
"951554"	447.051994	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-H+HCOOH"	44.998194
"367583"	849.105801	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+HCOOH-H"	44.998201
"352561"	863.121451	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+Hac-H"	59.013851
"1499213"	461.067651	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Hac-H"	59.013851
"964569"	469.033951	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-H+NaCOOH"	66.980151
"116757"	437.023202	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+2Cl"	69.938804
"555224"	638.050102	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+2Cl"	69.938804
"1030589"	235.996302	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2Cl"	69.938804
"1250166"	480.972685	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Br"	78.918885
"1314801"	483.028672	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Cl+HCOOH"	80.974872
"1332664"	505.010629	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Cl+NaCOOH"	102.956829
"921171"	515.039386	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M-H+CF3COOH"	112.985586
"1301161"	551.016064	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Cl+CF3COOH"	148.962264
"1381142"	367.041124	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H-2H2O"	-35.012676
"1397181"	385.0511	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H-H2O"	-17.0027
"296869"	805.114876	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+H"	1.007276
"688926"	1207.168676	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+H"	1.007276
"1365640"	403.061076	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H"	1.007276
"141143"	403.061076	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+2H"	2.014552
"580521"	604.087976	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+2H"	2.014552
"1050170"	202.034176	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2H"	2.014552
"211146"	269.043142666667	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+3H"	3.021828
"647789"	403.061076	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+3H"	3.021828
"1163117"	135.025209333333	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+3H"	3.021828
"425544"	822.141423	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+NH4"	18.033823
"785846"	1224.195223	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+NH4"	18.033823
"1692711"	420.087623	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+NH4"	18.033823
"342082"	411.5743495	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+H+NH4"	19.041099
"735598"	612.6012495	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+H+NH4"	19.041099
"1483951"	210.5474495	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H+NH4"	19.041099
"403724"	827.096818	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+Na"	22.989218
"762534"	1229.150618	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+Na"	22.989218
"1616714"	425.043018	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Na"	22.989218
"327235"	414.052047	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+H+Na"	23.996494
"720750"	615.078947	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+H+Na"	23.996494
"1475544"	213.025147	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H+Na"	23.996494
"1064536"	142.352523333333	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2H+Na"	25.00377
"1271199"	435.087286	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+CH3OH+H"	33.033486
"388070"	843.070758	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+K"	38.963158
"751253"	1245.124558	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+K"	38.963158
"1550024"	441.016958	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+K"	38.963158
"306106"	422.039017	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+H+K"	39.970434
"703634"	623.065917	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+H+K"	39.970434
"1455630"	221.012117	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H+K"	39.970434
"248244"	846.141426	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+ACN+H"	42.033826
"1215847"	444.087626	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+ACN+H"	42.033826
"1207022"	222.547451	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+ACN+2H"	43.041102
"199162"	849.07876	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+2Na-H"	44.97116
"639451"	1251.13256	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+2Na-H"	44.97116
"1135667"	447.02496	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2Na-H"	44.97116
"174584"	425.043018	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+2Na"	45.978436
"622897"	626.069918	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+2Na"	45.978436
"1120936"	224.016118	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2Na"	45.978436
"1407742"	149.679837333333	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H+2Na"	46.985712
"1438763"	449.066546	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H+HCOOH"	47.012746
"231739"	430.07604	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+3H2O+2H"	56.04448
"1521625"	463.11859	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+IsoProp+H"	61.06479
"415112"	433.029988	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+Na+K"	61.952376
"778296"	634.056888	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+Na+K"	61.952376
"1672439"	232.003088	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Na+K"	61.952376
"255679"	868.123368	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+ACN+Na"	64.015768
"1234948"	466.069568	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+ACN+Na"	64.015768
"1727115"	466.093093	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+NH4+HCOOH"	64.039293
"1185907"	157.007151333333	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+3Na"	68.967654
"1661269"	471.048488	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Na+HCOOH"	68.994688
"170321"	881.02664	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+2K-H"	76.91904
"610976"	1283.08044	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+2K-H"	76.91904
"1099502"	478.97284	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2K-H"	76.91904
"156444"	441.016958	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"2M+2K"	77.926316
"595882"	642.043858	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"3M+2K"	77.926316
"1083435"	239.990058	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2K"	77.926316
"1115263"	480.987392	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2K+H"	78.933592
"1345979"	481.075007	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+DMSO+H"	79.021207
"1014509"	485.114176	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2ACN+H"	83.060376
"1534821"	486.107808	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+IsoProp+Na+H"	84.054008
"999082"	243.060726	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+2ACN+2H"	84.067652
"1594679"	487.022428	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+K+HCOOH"	84.968628
"1424713"	517.053938	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+H+CF3COOH"	115.000138
"1158281"	263.574001	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+3ACN+2H"	125.094202
"1708926"	534.080485	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+NH4+CF3COOH"	132.026685
"1638013"	539.03588	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+Na+CF3COOH"	136.98208
"1572573"	555.00982	"C18556"	"Pyrazoxyfen"	"C20H16Cl2N2O3"	"402.0538"	"M+K+CF3COOH"	152.95602
"814972"	528.3087	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M"	0
"988874"	509.29031	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-H2O-H"	-19.01839
"77970"	351.198524	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M-3H"	-3.021828
"517038"	527.301424	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M-3H"	-3.021828
"889736"	175.095624	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-3H"	-3.021828
"14629"	527.301424	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M-2H"	-2.014552
"451151"	791.455774	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M-2H"	-2.014552
"825670"	263.147074	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-2H"	-2.014552
"84579"	1055.610124	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M-H"	-1.007276
"521951"	1583.918824	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M-H"	-1.007276
"903035"	527.301424	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-H"	-1.007276
"49025"	1072.636671	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M-2H+NH4"	16.019271
"487853"	1600.945371	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M-2H+NH4"	16.019271
"865169"	544.327971	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-2H+NH4"	16.019271
"42679"	1077.592066	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M-2H+Na"	20.974666
"485157"	1605.900766	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M-2H+Na"	20.974666
"863572"	549.283366	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-2H+Na"	20.974666
"1633223"	549.283366	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Na-2H"	20.974666
"108787"	545.289763	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M-H+Cl"	33.962126
"549313"	809.444113	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M-H+Cl"	33.962126
"941734"	281.135413	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-H+Cl"	33.962126
"278828"	1091.586802	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+Cl"	34.969402
"673442"	1619.895502	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+Cl"	34.969402
"1284387"	563.278102	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Cl"	34.969402
"25485"	1093.566006	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M-2H+K"	36.948606
"464682"	1621.874706	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M-2H+K"	36.948606
"841392"	565.257306	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-2H+K"	36.948606
"1558314"	565.257306	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+K-2H"	36.948606
"950573"	573.306894	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-H+HCOOH"	44.998194
"366600"	1101.615601	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+HCOOH-H"	44.998201
"350849"	1115.631251	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+Hac-H"	59.013851
"1499322"	587.322551	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Hac-H"	59.013851
"967960"	595.288851	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-H+NaCOOH"	66.980151
"122702"	563.278102	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+2Cl"	69.938804
"557522"	827.432452	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+2Cl"	69.938804
"1027419"	299.123752	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2Cl"	69.938804
"1248089"	607.227585	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Br"	78.918885
"1313819"	609.283572	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Cl+HCOOH"	80.974872
"1333502"	631.265529	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Cl+NaCOOH"	102.956829
"921281"	641.294286	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M-H+CF3COOH"	112.985586
"1302363"	677.270964	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Cl+CF3COOH"	148.962264
"1381618"	493.296024	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H-2H2O"	-35.012676
"1397980"	511.306	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H-H2O"	-17.0027
"297704"	1057.624676	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+H"	1.007276
"689036"	1585.933376	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+H"	1.007276
"1365386"	529.315976	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H"	1.007276
"140096"	529.315976	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+2H"	2.014552
"580265"	793.470326	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+2H"	2.014552
"1047725"	265.161626	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2H"	2.014552
"206153"	353.213076	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+3H"	3.021828
"649722"	529.315976	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+3H"	3.021828
"1165663"	177.110176	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+3H"	3.021828
"427841"	1074.651223	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+NH4"	18.033823
"787743"	1602.959923	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+NH4"	18.033823
"1688447"	546.342523	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+NH4"	18.033823
"342192"	537.8292495	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+H+NH4"	19.041099
"737532"	801.9835995	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+H+NH4"	19.041099
"1487341"	273.6748995	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H+NH4"	19.041099
"403834"	1079.606618	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+Na"	22.989218
"762644"	1607.915318	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+Na"	22.989218
"1614026"	551.297918	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Na"	22.989218
"327345"	540.306947	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+H+Na"	23.996494
"720859"	804.461297	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+H+Na"	23.996494
"1475775"	276.152597	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H+Na"	23.996494
"1063551"	184.43749	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2H+Na"	25.00377
"1272241"	561.342186	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+CH3OH+H"	33.033486
"389273"	1095.580558	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+K"	38.963158
"752455"	1623.889258	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+K"	38.963158
"1550134"	567.271858	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+K"	38.963158
"306216"	548.293917	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+H+K"	39.970434
"704835"	812.448267	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+H+K"	39.970434
"1456831"	284.139567	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H+K"	39.970434
"247623"	1098.651226	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+ACN+H"	42.033826
"1220329"	570.342526	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+ACN+H"	42.033826
"1205306"	285.674901	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+ACN+2H"	43.041102
"199272"	1101.58856	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+2Na-H"	44.97116
"641383"	1629.89726	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+2Na-H"	44.97116
"1132860"	573.27986	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2Na-H"	44.97116
"175787"	551.297918	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+2Na"	45.978436
"618629"	815.452268	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+2Na"	45.978436
"1125416"	287.143568	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2Na"	45.978436
"1406756"	191.764804	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H+2Na"	46.985712
"1434497"	575.321446	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H+HCOOH"	47.012746
"226381"	556.33094	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+3H2O+2H"	56.04448
"1514442"	589.37349	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+IsoProp+H"	61.06479
"411942"	559.284888	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+Na+K"	61.952376
"778406"	823.439238	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+Na+K"	61.952376
"1671456"	295.130538	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Na+K"	61.952376
"256882"	1120.633168	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+ACN+Na"	64.015768
"1235058"	592.324468	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+ACN+Na"	64.015768
"1725768"	592.347993	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+NH4+HCOOH"	64.039293
"1186017"	199.092118	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+3Na"	68.967654
"1660286"	597.303388	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Na+HCOOH"	68.994688
"170311"	1133.53644	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+2K-H"	76.91904
"608899"	1661.84514	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+2K-H"	76.91904
"1099131"	605.22774	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2K-H"	76.91904
"156433"	567.271858	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"2M+2K"	77.926316
"595752"	831.426208	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"3M+2K"	77.926316
"1083180"	303.117508	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2K"	77.926316
"1114442"	607.242292	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2K+H"	78.933592
"1347181"	607.329907	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+DMSO+H"	79.021207
"1015711"	611.369076	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2ACN+H"	83.060376
"1533838"	612.362708	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+IsoProp+Na+H"	84.054008
"999191"	306.188176	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+2ACN+2H"	84.067652
"1594789"	613.277328	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+K+HCOOH"	84.968628
"1424823"	643.308838	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+H+CF3COOH"	115.000138
"1158391"	326.701451	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+3ACN+2H"	125.094202
"1709036"	660.335385	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+NH4+CF3COOH"	132.026685
"1639216"	665.29078	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+Na+CF3COOH"	136.98208
"1572683"	681.26472	"C18557"	"Milbemectin"	"C31H44O7"	"528.3087"	"M+K+CF3COOH"	152.95602
"816175"	403.1168	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M"	0
"989497"	384.09841	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-H2O-H"	-19.01839
"78391"	267.737257333333	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M-3H"	-3.021828
"517391"	402.109524	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M-3H"	-3.021828
"894707"	133.364990666667	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-3H"	-3.021828
"15388"	402.109524	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M-2H"	-2.014552
"454541"	603.667924	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M-2H"	-2.014552
"825780"	200.551124	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-2H"	-2.014552
"81408"	805.226324	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M-H"	-1.007276
"525340"	1208.343124	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M-H"	-1.007276
"897676"	402.109524	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-H"	-1.007276
"50957"	822.252871	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M-2H+NH4"	16.019271
"489787"	1225.369671	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M-2H+NH4"	16.019271
"867226"	419.136071	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-2H+NH4"	16.019271
"40600"	827.208266	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M-2H+Na"	20.974666
"482347"	1230.325066	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M-2H+Na"	20.974666
"861977"	424.091466	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-2H+Na"	20.974666
"1633578"	424.091466	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Na-2H"	20.974666
"109135"	420.097863	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M-H+Cl"	33.962126
"549058"	621.656263	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M-H+Cl"	33.962126
"937102"	218.539463	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-H+Cl"	33.962126
"278937"	841.203002	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+Cl"	34.969402
"672459"	1244.319802	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+Cl"	34.969402
"1284497"	438.086202	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Cl"	34.969402
"25595"	843.182206	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M-2H+K"	36.948606
"467343"	1246.299006	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M-2H+K"	36.948606
"842595"	440.065406	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-2H+K"	36.948606
"1561704"	440.065406	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+K-2H"	36.948606
"952870"	448.114994	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-H+HCOOH"	44.998194
"367803"	851.231801	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+HCOOH-H"	44.998201
"353874"	865.247451	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+Hac-H"	59.013851
"1501620"	462.130651	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Hac-H"	59.013851
"968072"	470.096951	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-H+NaCOOH"	66.980151
"120258"	438.086202	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+2Cl"	69.938804
"557633"	639.644602	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+2Cl"	69.938804
"1027527"	236.527802	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2Cl"	69.938804
"1246011"	482.035685	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Br"	78.918885
"1307366"	484.091672	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Cl+HCOOH"	80.974872
"1324862"	506.073629	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Cl+NaCOOH"	102.956829
"919201"	516.102386	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M-H+CF3COOH"	112.985586
"1300283"	552.079064	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Cl+CF3COOH"	148.962264
"1379538"	368.104124	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H-2H2O"	-35.012676
"1395941"	386.1141	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H-H2O"	-17.0027
"298139"	807.240876	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+H"	1.007276
"689874"	1210.357676	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+H"	1.007276
"1363309"	404.124076	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H"	1.007276
"140206"	404.124076	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+2H"	2.014552
"576847"	605.682476	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+2H"	2.014552
"1046742"	202.565676	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2H"	2.014552
"208087"	269.751809333333	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+3H"	3.021828
"647645"	404.124076	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+3H"	3.021828
"1164680"	135.379542666667	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+3H"	3.021828
"427951"	824.267423	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+NH4"	18.033823
"787854"	1227.384223	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+NH4"	18.033823
"1688557"	421.150623	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+NH4"	18.033823
"340115"	412.6373495	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+H+NH4"	19.041099
"735454"	614.1957495	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+H+NH4"	19.041099
"1487451"	211.0789495	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H+NH4"	19.041099
"403944"	829.222818	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+Na"	22.989218
"762754"	1232.339618	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+Na"	22.989218
"1615229"	426.106018	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Na"	22.989218
"327091"	415.115047	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+H+Na"	23.996494
"721701"	616.673447	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+H+Na"	23.996494
"1475400"	213.556647	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H+Na"	23.996494
"1063661"	142.706856666667	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2H+Na"	25.00377
"1272026"	436.150286	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+CH3OH+H"	33.033486
"389019"	845.196758	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+K"	38.963158
"752201"	1248.313558	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+K"	38.963158
"1550244"	442.079958	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+K"	38.963158
"306326"	423.102017	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+H+K"	39.970434
"705309"	624.660417	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+H+K"	39.970434
"1458034"	221.543617	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H+K"	39.970434
"250527"	848.267426	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+ACN+H"	42.033826
"1222626"	445.150626	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+ACN+H"	42.033826
"1208332"	223.078951	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+ACN+2H"	43.041102
"202784"	851.20476	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+2Na-H"	44.97116
"642587"	1254.32156	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+2Na-H"	44.97116
"1131874"	448.08796	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2Na-H"	44.97116
"175046"	426.106018	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+2Na"	45.978436
"618739"	627.664418	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+2Na"	45.978436
"1125526"	224.547618	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2Na"	45.978436
"1403585"	150.034170666667	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H+2Na"	46.985712
"1434607"	450.129546	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H+HCOOH"	47.012746
"226490"	431.13904	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+3H2O+2H"	56.04448
"1512365"	464.18159	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+IsoProp+H"	61.06479
"412052"	434.092988	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+Na+K"	61.952376
"779609"	635.651388	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+Na+K"	61.952376
"1671565"	232.534588	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Na+K"	61.952376
"256990"	870.249368	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+ACN+Na"	64.015768
"1236261"	467.132568	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+ACN+Na"	64.015768
"1720773"	467.156093	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+NH4+HCOOH"	64.039293
"1187219"	157.361484666667	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+3Na"	68.967654
"1661488"	472.111488	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Na+HCOOH"	68.994688
"170539"	883.15264	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+2K-H"	76.91904
"610711"	1286.26944	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+2K-H"	76.91904
"1099687"	480.03584	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2K-H"	76.91904
"156743"	442.079958	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"2M+2K"	77.926316
"594648"	643.638358	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"3M+2K"	77.926316
"1082924"	240.521558	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2K"	77.926316
"1114555"	482.050392	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2K+H"	78.933592
"1347291"	482.138007	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+DMSO+H"	79.021207
"1015822"	486.177176	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2ACN+H"	83.060376
"1528480"	487.170808	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+IsoProp+Na+H"	84.054008
"997114"	243.592226	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+2ACN+2H"	84.067652
"1593806"	488.085428	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+K+HCOOH"	84.968628
"1421653"	518.116938	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+H+CF3COOH"	115.000138
"1157408"	264.105501	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+3ACN+2H"	125.094202
"1708053"	535.143485	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+NH4+CF3COOH"	132.026685
"1643700"	540.09888	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+Na+CF3COOH"	136.98208
"1572792"	556.07282	"C18558"	"Azoxystrobin"	"C22H17N3O5"	"403.1168"	"M+K+CF3COOH"	152.95602
"815192"	284.1161	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M"	0
"989905"	265.09771	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-H2O-H"	-19.01839
"78470"	188.403457333333	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M-3H"	-3.021828
"515436"	283.108824	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M-3H"	-3.021828
"894331"	93.6980906666667	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-3H"	-3.021828
"15578"	283.108824	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M-2H"	-2.014552
"454653"	425.166874	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M-2H"	-2.014552
"830631"	141.050774	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-2H"	-2.014552
"84798"	567.224924	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M-H"	-1.007276
"532010"	851.341024	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M-H"	-1.007276
"901067"	283.108824	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-H"	-1.007276
"52161"	584.251471	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M-2H+NH4"	16.019271
"489536"	868.367571	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M-2H+NH4"	16.019271
"870618"	300.135371	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-2H+NH4"	16.019271
"41803"	589.206866	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M-2H+Na"	20.974666
"483187"	873.322966	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M-2H+Na"	20.974666
"861356"	305.090766	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-2H+Na"	20.974666
"1633811"	305.090766	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Na-2H"	20.974666
"108880"	301.097163	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M-H+Cl"	33.962126
"549532"	443.155213	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M-H+Cl"	33.962126
"939036"	159.039113	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-H+Cl"	33.962126
"276861"	603.201602	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+Cl"	34.969402
"675659"	887.317702	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+Cl"	34.969402
"1287523"	319.085502	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Cl"	34.969402
"28986"	605.180806	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M-2H+K"	36.948606
"467088"	889.296906	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M-2H+K"	36.948606
"840518"	321.064706	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-2H+K"	36.948606
"1561818"	321.064706	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+K-2H"	36.948606
"949700"	329.114294	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-H+HCOOH"	44.998194
"367914"	613.230401	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+HCOOH-H"	44.998201
"353254"	627.246051	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+Hac-H"	59.013851
"1502823"	343.129951	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Hac-H"	59.013851
"971099"	351.096251	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-H+NaCOOH"	66.980151
"120368"	319.085502	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+2Cl"	69.938804
"558837"	461.143552	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+2Cl"	69.938804
"1032011"	177.027452	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2Cl"	69.938804
"1252317"	363.034985	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Br"	78.918885
"1307476"	365.090972	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Cl+HCOOH"	80.974872
"1330439"	387.072929	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Cl+NaCOOH"	102.956829
"924415"	397.101686	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M-H+CF3COOH"	112.985586
"1302217"	433.078364	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Cl+CF3COOH"	148.962264
"1379652"	249.103424	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H-2H2O"	-35.012676
"1394959"	267.1134	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H-H2O"	-17.0027
"298401"	569.239476	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+H"	1.007276
"689254"	853.355576	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+H"	1.007276
"1365849"	285.123376	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H"	1.007276
"141043"	285.123376	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+2H"	2.014552
"578050"	427.181426	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+2H"	2.014552
"1046852"	143.065326	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2H"	2.014552
"207468"	190.418009333333	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+3H"	3.021828
"649942"	285.123376	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+3H"	3.021828
"1165883"	95.7126426666667	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+3H"	3.021828
"431341"	586.266023	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+NH4"	18.033823
"787964"	870.382123	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+NH4"	18.033823
"1684294"	302.149923	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+NH4"	18.033823
"340225"	293.6366495	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+H+NH4"	19.041099
"734836"	435.6946995	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+H+NH4"	19.041099
"1487561"	151.5785995	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H+NH4"	19.041099
"404054"	591.221418	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+Na"	22.989218
"758487"	875.337518	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+Na"	22.989218
"1616433"	307.105318	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Na"	22.989218
"329355"	296.114347	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+H+Na"	23.996494
"722421"	438.172397	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+H+Na"	23.996494
"1476360"	154.056297	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H+Na"	23.996494
"1067052"	103.039956666667	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2H+Na"	25.00377
"1271856"	317.149586	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+CH3OH+H"	33.033486
"389493"	607.195358	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+K"	38.963158
"752675"	891.311458	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+K"	38.963158
"1551447"	323.079258	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+K"	38.963158
"310810"	304.101317	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+H+K"	39.970434
"703232"	446.159367	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+H+K"	39.970434
"1457051"	162.043267	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H+K"	39.970434
"248574"	610.266026	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+ACN+H"	42.033826
"1221642"	326.149926	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+ACN+H"	42.033826
"1206619"	163.578601	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+ACN+2H"	43.041102
"195117"	613.20336	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+2Na-H"	44.97116
"632489"	897.31946	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+2Na-H"	44.97116
"1131452"	329.08726	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2Na-H"	44.97116
"174183"	307.105318	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+2Na"	45.978436
"624319"	449.163368	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+2Na"	45.978436
"1124544"	165.047268	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2Na"	45.978436
"1402236"	110.367270666667	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H+2Na"	46.985712
"1435811"	331.128846	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H+HCOOH"	47.012746
"225507"	312.13834	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+3H2O+2H"	56.04448
"1517943"	345.18089	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+IsoProp+H"	61.06479
"418723"	315.092288	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+Na+K"	61.952376
"776438"	457.150338	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+Na+K"	61.952376
"1676051"	173.034238	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Na+K"	61.952376
"256008"	632.247968	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+ACN+Na"	64.015768
"1235279"	348.131868	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+ACN+Na"	64.015768
"1720886"	348.155393	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+NH4+HCOOH"	64.039293
"1190615"	117.694584666667	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+3Na"	68.967654
"1659412"	353.110788	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Na+HCOOH"	68.994688
"171501"	645.15124	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+2K-H"	76.91904
"610212"	929.26734	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+2K-H"	76.91904
"1099718"	361.03514	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2K-H"	76.91904
"156654"	323.079258	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"2M+2K"	77.926316
"593668"	465.137308	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"3M+2K"	77.926316
"1082186"	181.021208	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2K"	77.926316
"1115149"	363.049692	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2K+H"	78.933592
"1344121"	363.137307	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+DMSO+H"	79.021207
"1019820"	367.176476	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2ACN+H"	83.060376
"1530777"	368.170108	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+IsoProp+Na+H"	84.054008
"998317"	184.091876	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+2ACN+2H"	84.067652
"1595009"	369.084728	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+K+HCOOH"	84.968628
"1421763"	399.116238	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+H+CF3COOH"	115.000138
"1155331"	204.605151	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+3ACN+2H"	125.094202
"1708163"	416.142785	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+NH4+CF3COOH"	132.026685
"1643810"	421.09818	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+Na+CF3COOH"	136.98208
"1572172"	437.07212	"C18559"	"Metominostrobin"	"C16H16N2O3"	"284.1161"	"M+K+CF3COOH"	152.95602
"815302"	391.1856	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M"	0
"988715"	372.16721	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-H2O-H"	-19.01839
"77934"	259.783124	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M-3H"	-3.021828
"515546"	390.178324	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M-3H"	-3.021828
"894078"	129.387924	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-3H"	-3.021828
"14597"	390.178324	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M-2H"	-2.014552
"452576"	585.771124	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M-2H"	-2.014552
"829281"	194.585524	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-2H"	-2.014552
"81992"	781.363924	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M-H"	-1.007276
"532733"	1172.549524	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M-H"	-1.007276
"905551"	390.178324	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-H"	-1.007276
"56644"	798.390471	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M-2H+NH4"	16.019271
"494016"	1189.576071	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M-2H+NH4"	16.019271
"871821"	407.204871	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-2H+NH4"	16.019271
"43006"	803.345866	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M-2H+Na"	20.974666
"484755"	1194.531466	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M-2H+Na"	20.974666
"861831"	412.160266	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-2H+Na"	20.974666
"1630270"	412.160266	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Na-2H"	20.974666
"109353"	408.166663	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M-H+Cl"	33.962126
"549278"	603.759463	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M-H+Cl"	33.962126
"939874"	212.573863	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-H+Cl"	33.962126
"278430"	817.340602	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+Cl"	34.969402
"675358"	1208.526202	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+Cl"	34.969402
"1286540"	426.155002	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Cl"	34.969402
"30555"	819.319806	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M-2H+K"	36.948606
"470845"	1210.505406	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M-2H+K"	36.948606
"839535"	428.134206	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-2H+K"	36.948606
"1559012"	428.134206	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+K-2H"	36.948606
"948718"	436.183794	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-H+HCOOH"	44.998194
"368027"	827.369401	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+HCOOH-H"	44.998201
"356649"	841.385051	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+Hac-H"	59.013851
"1504027"	450.199451	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Hac-H"	59.013851
"968291"	458.165751	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-H+NaCOOH"	66.980151
"120478"	426.155002	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+2Cl"	69.938804
"560040"	621.747802	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+2Cl"	69.938804
"1028840"	230.562202	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2Cl"	69.938804
"1250606"	470.104485	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Br"	78.918885
"1309774"	472.160472	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Cl+HCOOH"	80.974872
"1325083"	494.142429	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Cl+NaCOOH"	102.956829
"922702"	504.171186	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M-H+CF3COOH"	112.985586
"1299411"	540.147864	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Cl+CF3COOH"	148.962264
"1378666"	356.172924	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H-2H2O"	-35.012676
"1395070"	374.1829	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H-H2O"	-17.0027
"294756"	783.378476	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+H"	1.007276
"691186"	1174.564076	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+H"	1.007276
"1363529"	392.192876	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H"	1.007276
"139331"	392.192876	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+2H"	2.014552
"578161"	587.785676	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+2H"	2.014552
"1043680"	196.600076	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2H"	2.014552
"207212"	261.797676	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+3H"	3.021828
"648960"	392.192876	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+3H"	3.021828
"1168179"	131.402476	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+3H"	3.021828
"432546"	800.405023	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+NH4"	18.033823
"790261"	1191.590623	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+NH4"	18.033823
"1684769"	409.219423	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+NH4"	18.033823
"337056"	400.7061495	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+H+NH4"	19.041099
"732760"	596.2989495	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+H+NH4"	19.041099
"1488766"	205.1133495	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H+NH4"	19.041099
"406351"	805.360418	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+Na"	22.989218
"760785"	1196.546018	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+Na"	22.989218
"1614356"	414.174818	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Na"	22.989218
"329744"	403.183847	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+H+Na"	23.996494
"720826"	598.776647	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+H+Na"	23.996494
"1476470"	207.591047	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H+Na"	23.996494
"1067045"	138.72979	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2H+Na"	25.00377
"1271761"	424.219086	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+CH3OH+H"	33.033486
"390697"	821.334358	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+K"	38.963158
"751696"	1212.519958	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+K"	38.963158
"1553380"	430.148758	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+K"	38.963158
"310921"	411.170817	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+H+K"	39.970434
"703343"	606.763617	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+H+K"	39.970434
"1456068"	215.578017	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H+K"	39.970434
"246860"	824.405026	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+ACN+H"	42.033826
"1219566"	433.219426	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+ACN+H"	42.033826
"1205637"	217.113351	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+ACN+2H"	43.041102
"199967"	827.34236	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+2Na-H"	44.97116
"635880"	1218.52796	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+2Na-H"	44.97116
"1131608"	436.15676	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2Na-H"	44.97116
"173929"	414.174818	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+2Na"	45.978436
"624430"	609.767618	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+2Na"	45.978436
"1126841"	218.582018	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2Na"	45.978436
"1406356"	146.057104	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H+2Na"	46.985712
"1436649"	438.198346	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H+HCOOH"	47.012746
"225617"	419.20784	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+3H2O+2H"	56.04448
"1512949"	452.25039	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+IsoProp+H"	61.06479
"417740"	422.161788	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+Na+K"	61.952376
"776183"	617.754588	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+Na+K"	61.952376
"1670693"	226.568988	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Na+K"	61.952376
"256480"	846.386968	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+ACN+Na"	64.015768
"1233201"	455.201368	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+ACN+Na"	64.015768
"1718440"	455.224893	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+NH4+HCOOH"	64.039293
"1185256"	153.384418	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+3Na"	68.967654
"1658428"	460.180288	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Na+HCOOH"	68.994688
"167479"	859.29024	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+2K-H"	76.91904
"608136"	1250.47584	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+2K-H"	76.91904
"1099658"	468.10464	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2K-H"	76.91904
"156928"	430.148758	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"2M+2K"	77.926316
"594869"	625.741558	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"3M+2K"	77.926316
"1080842"	234.555958	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2K"	77.926316
"1113806"	470.119192	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2K+H"	78.933592
"1348605"	470.206807	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+DMSO+H"	79.021207
"1020415"	474.245976	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2ACN+H"	83.060376
"1531980"	475.239608	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+IsoProp+Na+H"	84.054008
"997334"	237.626626	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+2ACN+2H"	84.067652
"1598399"	476.154228	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+K+HCOOH"	84.968628
"1425152"	506.185738	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+H+CF3COOH"	115.000138
"1158721"	258.139901	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+3ACN+2H"	125.094202
"1709366"	523.212285	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+NH4+CF3COOH"	132.026685
"1643920"	528.16768	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+Na+CF3COOH"	136.98208
"1573012"	544.14162	"C18560"	"Orysastrobin"	"C18H25N5O5"	"391.1856"	"M+K+CF3COOH"	152.95602
"815412"	387.0986	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M"	0
"986759"	368.08021	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-H2O-H"	-19.01839
"77068"	257.058457333333	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M-3H"	-3.021828
"513469"	386.091324	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M-3H"	-3.021828
"892364"	128.025590666667	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-3H"	-3.021828
"13855"	386.091324	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M-2H"	-2.014552
"446125"	579.640624	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M-2H"	-2.014552
"826111"	192.542024	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-2H"	-2.014552
"90485"	773.189924	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M-H"	-1.007276
"531866"	1160.288524	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M-H"	-1.007276
"900193"	386.091324	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-H"	-1.007276
"56754"	790.216471	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M-2H+NH4"	16.019271
"490847"	1177.315071	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M-2H+NH4"	16.019271
"870838"	403.117871	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-2H+NH4"	16.019271
"40929"	795.171866	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M-2H+Na"	20.974666
"482679"	1182.270466	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M-2H+Na"	20.974666
"863036"	408.073266	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-2H+Na"	20.974666
"1631110"	408.073266	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Na-2H"	20.974666
"108981"	404.079663	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M-H+Cl"	33.962126
"548539"	597.628963	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M-H+Cl"	33.962126
"940714"	210.530363	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-H+Cl"	33.962126
"281704"	809.166602	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+Cl"	34.969402
"672422"	1196.265202	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+Cl"	34.969402
"1284827"	422.068002	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Cl"	34.969402
"28113"	811.145806	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M-2H+K"	36.948606
"469497"	1198.244406	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M-2H+K"	36.948606
"846206"	424.047206	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-2H+K"	36.948606
"1569692"	424.047206	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+K-2H"	36.948606
"946640"	432.096794	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-H+HCOOH"	44.998194
"367044"	819.195401	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+HCOOH-H"	44.998201
"356759"	833.211051	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+Hac-H"	59.013851
"1500857"	446.112451	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Hac-H"	59.013851
"968401"	454.078751	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-H+NaCOOH"	66.980151
"120588"	422.068002	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+2Cl"	69.938804
"560150"	615.617302	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+2Cl"	69.938804
"1026763"	228.518702	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2Cl"	69.938804
"1248529"	466.017485	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Br"	78.918885
"1310977"	468.073472	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Cl+HCOOH"	80.974872
"1327380"	490.055429	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Cl+NaCOOH"	102.956829
"922812"	500.084186	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M-H+CF3COOH"	112.985586
"1298428"	536.060864	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Cl+CF3COOH"	148.962264
"1378776"	352.085924	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H-2H2O"	-35.012676
"1397365"	370.0959	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H-H2O"	-17.0027
"297053"	775.204476	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+H"	1.007276
"690203"	1162.303076	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+H"	1.007276
"1362546"	388.105876	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H"	1.007276
"138712"	388.105876	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+2H"	2.014552
"579729"	581.655176	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+2H"	2.014552
"1044883"	194.556576	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2H"	2.014552
"212783"	259.073009333333	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+3H"	3.021828
"647611"	388.105876	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+3H"	3.021828
"1166102"	130.040142666667	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+3H"	3.021828
"427189"	792.231023	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+NH4"	18.033823
"785995"	1179.329623	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+NH4"	18.033823
"1685608"	405.132423	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+NH4"	18.033823
"333886"	396.6191495	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+H+NH4"	19.041099
"729589"	590.1684495	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+H+NH4"	19.041099
"1484503"	203.0698495	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H+NH4"	19.041099
"404274"	797.186418	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+Na"	22.989218
"759802"	1184.285018	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+Na"	22.989218
"1613373"	410.087818	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Na"	22.989218
"329491"	399.096847	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+H+Na"	23.996494
"718019"	592.646147	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+H+Na"	23.996494
"1474393"	205.547547	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H+Na"	23.996494
"1066426"	137.367456666667	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2H+Na"	25.00377
"1271142"	420.132086	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+CH3OH+H"	33.033486
"389715"	813.160358	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+K"	38.963158
"752170"	1200.258958	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+K"	38.963158
"1552761"	426.061758	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+K"	38.963158
"311031"	407.083817	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+H+K"	39.970434
"703453"	600.633117	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+H+K"	39.970434
"1458364"	213.534517	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H+K"	39.970434
"246965"	816.231026	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+ACN+H"	42.033826
"1219673"	429.132426	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+ACN+H"	42.033826
"1205749"	215.069851	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+ACN+2H"	43.041102
"198616"	819.16836	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+2Na-H"	44.97116
"637082"	1206.26696	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+2Na-H"	44.97116
"1132570"	432.06976	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2Na-H"	44.97116
"174404"	410.087818	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+2Na"	45.978436
"623446"	603.637118	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+2Na"	45.978436
"1128413"	216.538518	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2Na"	45.978436
"1406102"	144.694770666667	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H+2Na"	46.985712
"1436031"	434.111346	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H+HCOOH"	47.012746
"225727"	415.12084	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+3H2O+2H"	56.04448
"1512695"	448.16339	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+IsoProp+H"	61.06479
"417486"	418.074788	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+Na+K"	61.952376
"775929"	611.624088	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+Na+K"	61.952376
"1672989"	224.525488	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Na+K"	61.952376
"254767"	838.212968	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+ACN+Na"	64.015768
"1230756"	451.114368	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+ACN+Na"	64.015768
"1716363"	451.137893	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+NH4+HCOOH"	64.039293
"1180984"	152.022084666667	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+3Na"	68.967654
"1655981"	456.093288	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Na+HCOOH"	68.994688
"171967"	851.11624	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+2K-H"	76.91904
"612015"	1238.21484	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+2K-H"	76.91904
"1097134"	464.01764	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2K-H"	76.91904
"156019"	426.061758	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"2M+2K"	77.926316
"595462"	619.611058	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"3M+2K"	77.926316
"1082525"	232.512458	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2K"	77.926316
"1113668"	466.032192	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2K+H"	78.933592
"1344341"	466.119807	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+DMSO+H"	79.021207
"1018340"	470.158976	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2ACN+H"	83.060376
"1530997"	471.152608	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+IsoProp+Na+H"	84.054008
"996350"	235.583126	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+2ACN+2H"	84.067652
"1595228"	472.067228	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+K+HCOOH"	84.968628
"1424168"	502.098738	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+H+CF3COOH"	115.000138
"1155550"	256.096401	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+3ACN+2H"	125.094202
"1706195"	519.125285	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+NH4+CF3COOH"	132.026685
"1644030"	524.08068	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+Na+CF3COOH"	136.98208
"1572757"	540.05462	"C18561"	"Pyraclostrobin"	"C19H18ClN3O4"	"387.0986"	"M+K+CF3COOH"	152.95602
"815522"	408.1297	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M"	0
"989057"	389.11131	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-H2O-H"	-19.01839
"78151"	271.079190666667	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M-3H"	-3.021828
"513579"	407.122424	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M-3H"	-3.021828
"895359"	135.035957333333	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-3H"	-3.021828
"13236"	407.122424	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M-2H"	-2.014552
"449515"	611.187274	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M-2H"	-2.014552
"829501"	203.057574	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-2H"	-2.014552
"90595"	815.252124	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M-H"	-1.007276
"531612"	1223.381824	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M-H"	-1.007276
"901396"	407.122424	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-H"	-1.007276
"53584"	832.278671	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M-2H+NH4"	16.019271
"488159"	1240.408371	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M-2H+NH4"	16.019271
"874228"	424.148971	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-2H+NH4"	16.019271
"42862"	837.234066	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M-2H+Na"	20.974666
"483517"	1245.363766	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M-2H+Na"	20.974666
"864002"	429.104366	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-2H+Na"	20.974666
"1633859"	429.104366	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Na-2H"	20.974666
"109907"	425.110763	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M-H+Cl"	33.962126
"549789"	629.175613	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M-H+Cl"	33.962126
"942460"	221.045913	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-H+Cl"	33.962126
"282674"	851.228802	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+Cl"	34.969402
"674969"	1259.358502	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+Cl"	34.969402
"1286395"	443.099102	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Cl"	34.969402
"30050"	853.208006	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M-2H+K"	36.948606
"470094"	1261.337706	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M-2H+K"	36.948606
"846680"	445.078306	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-2H+K"	36.948606
"1569686"	445.078306	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+K-2H"	36.948606
"953314"	453.127894	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-H+HCOOH"	44.998194
"369341"	861.257601	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+HCOOH-H"	44.998201
"354318"	875.273251	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+Hac-H"	59.013851
"1499870"	467.143551	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Hac-H"	59.013851
"972524"	475.109851	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-H+NaCOOH"	66.980151
"124710"	443.099102	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+2Cl"	69.938804
"563539"	647.163952	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+2Cl"	69.938804
"1036796"	239.034252	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2Cl"	69.938804
"1253012"	487.048585	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Br"	78.918885
"1314367"	489.104572	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Cl+HCOOH"	80.974872
"1330771"	511.086529	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Cl+NaCOOH"	102.956829
"925960"	521.115286	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M-H+CF3COOH"	112.985586
"1302793"	557.091964	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Cl+CF3COOH"	148.962264
"1382048"	373.117024	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H-2H2O"	-35.012676
"1398008"	391.127	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H-H2O"	-17.0027
"298220"	817.266676	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+H"	1.007276
"691166"	1225.396376	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+H"	1.007276
"1365936"	409.136976	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H"	1.007276
"138822"	409.136976	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+2H"	2.014552
"578381"	613.201826	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+2H"	2.014552
"1046086"	205.072126	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2H"	2.014552
"212893"	273.093742666667	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+3H"	3.021828
"654647"	409.136976	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+3H"	3.021828
"1172772"	137.050509333333	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+3H"	3.021828
"431672"	834.293223	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+NH4"	18.033823
"789751"	1242.422923	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+NH4"	18.033823
"1685718"	426.163523	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+NH4"	18.033823
"333996"	417.6502495	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+H+NH4"	19.041099
"726783"	621.7150995	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+H+NH4"	19.041099
"1484612"	213.5853995	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H+NH4"	19.041099
"404384"	839.248618	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+Na"	22.989218
"761005"	1247.378318	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+Na"	22.989218
"1615670"	431.118918	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Na"	22.989218
"328506"	420.127947	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+H+Na"	23.996494
"718129"	624.192797	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+H+Na"	23.996494
"1475231"	216.063097	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H+Na"	23.996494
"1065927"	144.377823333333	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2H+Na"	25.00377
"1271252"	441.163186	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+CH3OH+H"	33.033486
"390189"	855.222558	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+K"	38.963158
"752282"	1263.352258	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+K"	38.963158
"1553843"	447.092858	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+K"	38.963158
"312234"	428.114917	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+H+K"	39.970434
"704656"	632.179767	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+H+K"	39.970434
"1458475"	224.050067	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H+K"	39.970434
"247075"	858.293226	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+ACN+H"	42.033826
"1219783"	450.163526	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+ACN+H"	42.033826
"1208530"	225.585401	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+ACN+2H"	43.041102
"201644"	861.23056	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+2Na-H"	44.97116
"639379"	1269.36026	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+2Na-H"	44.97116
"1141793"	453.10086	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2Na-H"	44.97116
"178524"	431.118918	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+2Na"	45.978436
"625379"	635.183768	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+2Na"	45.978436
"1129616"	227.054068	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2Na"	45.978436
"1410587"	151.705137333333	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H+2Na"	46.985712
"1438691"	455.142446	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H+HCOOH"	47.012746
"228753"	436.15194	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+3H2O+2H"	56.04448
"1517907"	469.19449	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+IsoProp+H"	61.06479
"412856"	439.105888	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+Na+K"	61.952376
"772029"	643.170738	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+Na+K"	61.952376
"1668725"	235.041038	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Na+K"	61.952376
"255605"	880.275168	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+ACN+Na"	64.015768
"1228678"	472.145468	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+ACN+Na"	64.015768
"1717930"	472.168993	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+NH4+HCOOH"	64.039293
"1179638"	159.032451333333	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+3Na"	68.967654
"1655727"	477.124388	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Na+HCOOH"	68.994688
"172324"	893.17844	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+2K-H"	76.91904
"610181"	1301.30814	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+2K-H"	76.91904
"1098584"	485.04874	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2K-H"	76.91904
"155766"	447.092858	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"2M+2K"	77.926316
"593994"	651.157708	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"3M+2K"	77.926316
"1081421"	243.028008	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2K"	77.926316
"1112445"	487.063292	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2K+H"	78.933592
"1347731"	487.150907	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+DMSO+H"	79.021207
"1018086"	491.190076	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2ACN+H"	83.060376
"1530013"	492.183708	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+IsoProp+Na+H"	84.054008
"996459"	246.098676	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+2ACN+2H"	84.067652
"1595338"	493.098328	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+K+HCOOH"	84.968628
"1426465"	523.129838	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+H+CF3COOH"	115.000138
"1155660"	266.611951	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+3ACN+2H"	125.094202
"1709586"	540.156385	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+NH4+CF3COOH"	132.026685
"1643047"	545.11178	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+Na+CF3COOH"	136.98208
"1572867"	561.08572	"C18562"	"Trifloxystrobin"	"C20H19F3N2O4"	"408.1297"	"M+K+CF3COOH"	152.95602
"815632"	431.0353	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M"	0
"985886"	412.01691	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-H2O-H"	-19.01839
"75222"	286.349590666667	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M-3H"	-3.021828
"512596"	430.028024	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M-3H"	-3.021828
"893677"	142.671157333333	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-3H"	-3.021828
"11158"	430.028024	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M-2H"	-2.014552
"446345"	645.545674	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M-2H"	-2.014552
"823051"	214.510374	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-2H"	-2.014552
"85229"	861.063324	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M-H"	-1.007276
"522610"	1292.098624	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M-H"	-1.007276
"900413"	430.028024	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-H"	-1.007276
"52601"	878.089871	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M-2H+NH4"	16.019271
"487537"	1309.125171	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M-2H+NH4"	16.019271
"872151"	447.054571	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-2H+NH4"	16.019271
"42243"	883.045266	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M-2H+Na"	20.974666
"482895"	1314.080566	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M-2H+Na"	20.974666
"863254"	452.009966	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-2H+Na"	20.974666
"1633640"	452.009966	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Na-2H"	20.974666
"109448"	448.016363	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M-H+Cl"	33.962126
"549453"	663.534013	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M-H+Cl"	33.962126
"942284"	232.498713	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-H+Cl"	33.962126
"281931"	897.040002	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+Cl"	34.969402
"674952"	1328.075302	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+Cl"	34.969402
"1287929"	466.004702	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Cl"	34.969402
"30400"	899.019206	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M-2H+K"	36.948606
"470695"	1330.054506	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M-2H+K"	36.948606
"848250"	467.983906	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-2H+K"	36.948606
"1570275"	467.983906	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+K-2H"	36.948606
"955974"	476.033494	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-H+HCOOH"	44.998194
"366172"	907.068801	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+HCOOH-H"	44.998201
"356616"	921.084451	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+Hac-H"	59.013851
"1498887"	490.049151	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Hac-H"	59.013851
"973242"	498.015451	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-H+NaCOOH"	66.980151
"124457"	466.004702	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+2Cl"	69.938804
"561461"	681.522352	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+2Cl"	69.938804
"1036462"	250.487052	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2Cl"	69.938804
"1256040"	509.954185	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Br"	78.918885
"1319460"	512.010172	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Cl+HCOOH"	80.974872
"1330881"	533.992129	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Cl+NaCOOH"	102.956829
"926437"	544.020886	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M-H+CF3COOH"	112.985586
"1302661"	579.997564	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Cl+CF3COOH"	148.962264
"1381187"	396.022624	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H-2H2O"	-35.012676
"1398076"	414.0326	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H-H2O"	-17.0027
"298130"	863.077876	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+H"	1.007276
"691305"	1294.113176	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+H"	1.007276
"1367031"	432.042576	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H"	1.007276
"140025"	432.042576	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+2H"	2.014552
"578491"	647.560226	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+2H"	2.014552
"1045103"	216.524926	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2H"	2.014552
"211910"	288.364142666667	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+3H"	3.021828
"654757"	432.042576	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+3H"	3.021828
"1171789"	144.685709333333	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+3H"	3.021828
"428501"	880.104423	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+NH4"	18.033823
"788038"	1311.139723	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+NH4"	18.033823
"1684735"	449.069123	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+NH4"	18.033823
"333376"	440.5558495	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+H+NH4"	19.041099
"726892"	656.0734995	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+H+NH4"	19.041099
"1484721"	225.0381995	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H+NH4"	19.041099
"398297"	885.059818	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+Na"	22.989218
"760021"	1316.095118	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+Na"	22.989218
"1615780"	454.024518	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Na"	22.989218
"329099"	443.033547	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+H+Na"	23.996494
"718239"	658.551197	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+H+Na"	23.996494
"1472061"	227.515897	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H+Na"	23.996494
"1064215"	152.013023333333	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2H+Na"	25.00377
"1269904"	464.068786	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+CH3OH+H"	33.033486
"389206"	901.033758	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+K"	38.963158
"751296"	1332.069058	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+K"	38.963158
"1552981"	469.998458	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+K"	38.963158
"311251"	451.020517	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+H+K"	39.970434
"700393"	666.538167	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+H+K"	39.970434
"1457492"	235.502867	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H+K"	39.970434
"246092"	904.104426	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+ACN+H"	42.033826
"1219893"	473.069126	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+ACN+H"	42.033826
"1196486"	237.038201	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+ACN+2H"	43.041102
"200661"	907.04176	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+2Na-H"	44.97116
"636209"	1338.07706	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+2Na-H"	44.97116
"1140810"	476.00646	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2Na-H"	44.97116
"178998"	454.024518	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+2Na"	45.978436
"623667"	669.542168	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+2Na"	45.978436
"1128632"	238.506868	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2Na"	45.978436
"1410332"	159.340337333333	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H+2Na"	46.985712
"1438437"	478.048046	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H+HCOOH"	47.012746
"229227"	459.05754	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+3H2O+2H"	56.04448
"1517288"	492.10009	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+IsoProp+H"	61.06479
"412966"	462.011488	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+Na+K"	61.952376
"773597"	677.529138	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+Na+K"	61.952376
"1668835"	246.493838	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Na+K"	61.952376
"253893"	926.086368	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+ACN+Na"	64.015768
"1226602"	495.051068	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+ACN+Na"	64.015768
"1717312"	495.074593	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+NH4+HCOOH"	64.039293
"1180476"	166.667651333333	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+3Na"	68.967654
"1655108"	500.029988	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Na+HCOOH"	68.994688
"164526"	938.98964	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+2K-H"	76.91904
"611263"	1370.02494	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+2K-H"	76.91904
"1099058"	507.95434	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2K-H"	76.91904
"156121"	469.998458	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"2M+2K"	77.926316
"594956"	685.516108	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"3M+2K"	77.926316
"1082626"	254.480808	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2K"	77.926316
"1112918"	509.968892	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2K+H"	78.933592
"1346748"	510.056507	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+DMSO+H"	79.021207
"1019288"	514.095676	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2ACN+H"	83.060376
"1527936"	515.089308	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+IsoProp+Na+H"	84.054008
"996569"	257.551476	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+2ACN+2H"	84.067652
"1593261"	516.003928	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+K+HCOOH"	84.968628
"1422201"	546.035438	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+H+CF3COOH"	115.000138
"1154677"	278.064751	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+3ACN+2H"	125.094202
"1706416"	563.061985	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+NH4+CF3COOH"	132.026685
"1643157"	568.01738	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+Na+CF3COOH"	136.98208
"1574436"	583.99132	"C18563"	"Bensultap"	"C17H21NO4S4"	"431.0353"	"M+K+CF3COOH"	152.95602
"811368"	228.0875	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M"	0
"979435"	209.06911	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-H2O-H"	-19.01839
"70958"	151.051057333333	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M-3H"	-3.021828
"517079"	227.080224	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M-3H"	-3.021828
"883581"	75.0218906666667	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-3H"	-3.021828
"9080"	227.080224	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M-2H"	-2.014552
"445360"	341.123974	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M-2H"	-2.014552
"823161"	113.036474	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-2H"	-2.014552
"80113"	455.167724	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M-H"	-1.007276
"522719"	683.255224	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M-H"	-1.007276
"900521"	227.080224	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-H"	-1.007276
"47849"	472.194271	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M-2H+NH4"	16.019271
"487162"	700.281771	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M-2H+NH4"	16.019271
"864445"	244.106771	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-2H+NH4"	16.019271
"35791"	477.149666	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M-2H+Na"	20.974666
"476442"	705.237166	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M-2H+Na"	20.974666
"854247"	249.062166	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-2H+Na"	20.974666
"1629247"	249.062166	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Na-2H"	20.974666
"107962"	245.068563	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M-H+Cl"	33.962126
"548617"	359.112313	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M-H+Cl"	33.962126
"940312"	131.024813	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-H+Cl"	33.962126
"279597"	491.144402	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+Cl"	34.969402
"673113"	719.231902	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+Cl"	34.969402
"1286609"	263.056902	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Cl"	34.969402
"30872"	493.123606	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M-2H+K"	36.948606
"470549"	721.211106	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M-2H+K"	36.948606
"847867"	265.036106	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-2H+K"	36.948606
"1566738"	265.036106	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+K-2H"	36.948606
"955714"	273.085694	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-H+HCOOH"	44.998194
"364816"	501.173201	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+HCOOH-H"	44.998201
"351250"	515.188851	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+Hac-H"	59.013851
"1498995"	287.101351	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Hac-H"	59.013851
"968365"	295.067651	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-H+NaCOOH"	66.980151
"122740"	263.056902	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+2Cl"	69.938804
"560842"	377.100652	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+2Cl"	69.938804
"1032558"	149.013152	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2Cl"	69.938804
"1255054"	307.006385	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Br"	78.918885
"1314220"	309.062372	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Cl+HCOOH"	80.974872
"1334635"	331.044329	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Cl+NaCOOH"	102.956829
"925817"	341.073086	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M-H+CF3COOH"	112.985586
"1302524"	377.049764	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Cl+CF3COOH"	148.962264
"1381171"	193.074824	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H-2H2O"	-35.012676
"1397941"	211.0848	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H-H2O"	-17.0027
"297748"	457.182276	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+H"	1.007276
"686523"	685.269776	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+H"	1.007276
"1360686"	229.094776	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H"	1.007276
"137948"	229.094776	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+2H"	2.014552
"575321"	343.138526	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+2H"	2.014552
"1043025"	115.051026	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2H"	2.014552
"207647"	153.065609333333	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+3H"	3.021828
"647212"	229.094776	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+3H"	3.021828
"1164242"	77.0364426666667	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+3H"	3.021828
"424598"	474.208823	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+NH4"	18.033823
"786077"	702.296323	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+NH4"	18.033823
"1681557"	246.121323	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+NH4"	18.033823
"330149"	237.6080495	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+H+NH4"	19.041099
"722868"	351.6517995	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+H+NH4"	19.041099
"1477659"	123.5642995	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H+NH4"	19.041099
"392891"	479.164218	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+Na"	22.989218
"754534"	707.251718	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+Na"	22.989218
"1607139"	251.076718	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Na"	22.989218
"323741"	240.085747	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+H+Na"	23.996494
"719442"	354.129497	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+H+Na"	23.996494
"1473262"	126.041997	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H+Na"	23.996494
"1064325"	84.3637566666667	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2H+Na"	25.00377
"1270014"	261.120986	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+CH3OH+H"	33.033486
"390045"	495.138158	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+K"	38.963158
"749947"	723.225658	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+K"	38.963158
"1550904"	267.050658	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+K"	38.963158
"309174"	248.072717	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+H+K"	39.970434
"703418"	362.116467	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+H+K"	39.970434
"1456508"	134.028967	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H+K"	39.970434
"244015"	498.208826	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+ACN+H"	42.033826
"1218910"	270.121326	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+ACN+H"	42.033826
"1196596"	135.564301	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+ACN+2H"	43.041102
"200042"	501.14616	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+2Na-H"	44.97116
"636319"	729.23366	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+2Na-H"	44.97116
"1142013"	273.05866	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2Na-H"	44.97116
"178744"	251.076718	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+2Na"	45.978436
"625235"	365.120468	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+2Na"	45.978436
"1128376"	137.032968	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2Na"	45.978436
"1409348"	91.6910706666667	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H+2Na"	46.985712
"1438547"	275.100246	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H+HCOOH"	47.012746
"229337"	256.10974	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+3H2O+2H"	56.04448
"1520678"	289.15229	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+IsoProp+H"	61.06479
"414169"	259.063688	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+Na+K"	61.952376
"774071"	373.107438	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+Na+K"	61.952376
"1668945"	145.019938	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Na+K"	61.952376
"251815"	520.190768	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+ACN+Na"	64.015768
"1226831"	292.103268	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+ACN+Na"	64.015768
"1715600"	292.126793	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+NH4+HCOOH"	64.039293
"1178544"	99.0183846666667	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+3Na"	68.967654
"1652302"	297.082188	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Na+HCOOH"	68.994688
"159170"	533.09404	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+2K-H"	76.91904
"603105"	761.18154	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+2K-H"	76.91904
"1099042"	305.00654	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2K-H"	76.91904
"156226"	267.050658	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"2M+2K"	77.926316
"596035"	381.094408	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"3M+2K"	77.926316
"1083095"	153.006908	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2K"	77.926316
"1115091"	307.021092	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2K+H"	78.933592
"1347951"	307.108707	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+DMSO+H"	79.021207
"1019761"	311.147876	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2ACN+H"	83.060376
"1529139"	312.141508	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+IsoProp+Na+H"	84.054008
"995586"	156.077576	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+2ACN+2H"	84.067652
"1596651"	313.056128	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+K+HCOOH"	84.968628
"1420124"	343.087638	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+H+CF3COOH"	115.000138
"1152599"	176.590851	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+3ACN+2H"	125.094202
"1709805"	360.114185	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+NH4+CF3COOH"	132.026685
"1641080"	365.06958	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+Na+CF3COOH"	136.98208
"1573453"	381.04352	"C18564"	"Glyphosate-isopropylammonium"	"C3H8NO5PC3H9N"	"228.0875"	"M+K+CF3COOH"	152.95602
"812571"	186.0406	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M"	0
"979545"	167.02221	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-H2O-H"	-19.01839
"67788"	123.019790666667	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M-3H"	-3.021828
"513909"	185.033324	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M-3H"	-3.021828
"882963"	61.0062573333333	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-3H"	-3.021828
"4817"	185.033324	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M-2H"	-2.014552
"441097"	278.053624	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M-2H"	-2.014552
"818898"	92.013024	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-2H"	-2.014552
"83262"	371.073924	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M-H"	-1.007276
"520763"	557.114524	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M-H"	-1.007276
"895841"	185.033324	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-H"	-1.007276
"47592"	388.100471	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M-2H+NH4"	16.019271
"487882"	574.141071	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M-2H+NH4"	16.019271
"864220"	202.059871	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-2H+NH4"	16.019271
"35901"	393.055866	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M-2H+Na"	20.974666
"476552"	579.096466	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M-2H+Na"	20.974666
"854357"	207.015266	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-2H+Na"	20.974666
"1630086"	207.015266	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Na-2H"	20.974666
"106615"	203.021663	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M-H+Cl"	33.962126
"548365"	296.041963	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M-H+Cl"	33.962126
"941638"	110.001363	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-H+Cl"	33.962126
"279707"	407.050602	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+Cl"	34.969402
"669942"	593.091202	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+Cl"	34.969402
"1286354"	221.010002	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Cl"	34.969402
"31104"	409.029806	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M-2H+K"	36.948606
"471108"	595.070406	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M-2H+K"	36.948606
"847857"	222.989206	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-2H+K"	36.948606
"1567941"	222.989206	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+K-2H"	36.948606
"952544"	231.038794	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-H+HCOOH"	44.998194
"374042"	417.079401	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+HCOOH-H"	44.998201
"351360"	431.095051	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+Hac-H"	59.013851
"1496918"	245.054451	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Hac-H"	59.013851
"963368"	253.020751	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-H+NaCOOH"	66.980151
"112277"	221.010002	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+2Cl"	69.938804
"554025"	314.030302	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+2Cl"	69.938804
"1035463"	127.989702	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2Cl"	69.938804
"1255528"	264.959485	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Br"	78.918885
"1313601"	267.015472	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Cl+HCOOH"	80.974872
"1334745"	288.997429	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Cl+NaCOOH"	102.956829
"926533"	299.026186	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M-H+CF3COOH"	112.985586
"1302755"	335.002864	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Cl+CF3COOH"	148.962264
"1382540"	151.027924	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H-2H2O"	-35.012676
"1398254"	169.0379	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H-H2O"	-17.0027
"297370"	373.088476	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+H"	1.007276
"687726"	559.129076	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+H"	1.007276
"1360796"	187.047876	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H"	1.007276
"138058"	187.047876	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+2H"	2.014552
"575431"	280.068176	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+2H"	2.014552
"1043135"	94.027576	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2H"	2.014552
"206661"	125.034342666667	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+3H"	3.021828
"649508"	187.047876	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+3H"	3.021828
"1166175"	63.0208093333333	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+3H"	3.021828
"427624"	390.115023	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+NH4"	18.033823
"787160"	576.155623	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+NH4"	18.033823
"1681350"	204.074423	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+NH4"	18.033823
"330022"	195.5611495	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+H+NH4"	19.041099
"723005"	288.5814495	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+H+NH4"	19.041099
"1478012"	102.5408495	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H+NH4"	19.041099
"394505"	395.070418	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+Na"	22.989218
"755374"	581.111018	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+Na"	22.989218
"1604694"	209.029818	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Na"	22.989218
"321662"	198.038847	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+H+Na"	23.996494
"714084"	291.059147	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+H+Na"	23.996494
"1472279"	105.018547	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H+Na"	23.996494
"1065525"	70.3481233333333	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2H+Na"	25.00377
"1271217"	219.074086	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+CH3OH+H"	33.033486
"387965"	411.044358	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+K"	38.963158
"752243"	597.084958	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+K"	38.963158
"1547732"	225.003758	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+K"	38.963158
"307097"	206.025817	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+H+K"	39.970434
"701704"	299.046117	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+H+K"	39.970434
"1453336"	113.005517	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H+K"	39.970434
"244125"	414.115026	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+ACN+H"	42.033826
"1217927"	228.074426	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+ACN+H"	42.033826
"1196342"	114.540851	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+ACN+2H"	43.041102
"195777"	417.05236	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+2Na-H"	44.97116
"636429"	603.09296	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+2Na-H"	44.97116
"1138843"	231.01176	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2Na-H"	44.97116
"173302"	209.029818	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+2Na"	45.978436
"624980"	302.050118	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+2Na"	45.978436
"1128122"	116.009518	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2Na"	45.978436
"1410552"	77.6754373333333	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H+2Na"	46.985712
"1440845"	233.053346	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H+HCOOH"	47.012746
"232728"	214.06284	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+3H2O+2H"	56.04448
"1522611"	247.10539	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+IsoProp+H"	61.06479
"416102"	217.016788	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+Na+K"	61.952376
"776004"	310.037088	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+Na+K"	61.952376
"1667959"	123.996488	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Na+K"	61.952376
"251682"	436.096968	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+ACN+Na"	64.015768
"1226822"	250.056368	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+ACN+Na"	64.015768
"1716074"	250.079893	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+NH4+HCOOH"	64.039293
"1181060"	85.0027513333333	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+3Na"	68.967654
"1653505"	255.035288	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Na+HCOOH"	68.994688
"160005"	449.00024	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+2K-H"	76.91904
"603215"	635.04084	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+2K-H"	76.91904
"1098543"	262.95964	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2K-H"	76.91904
"153296"	225.003758	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"2M+2K"	77.926316
"593953"	318.024058	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"3M+2K"	77.926316
"1083083"	131.983458	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2K"	77.926316
"1114350"	264.974192	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2K+H"	78.933592
"1346968"	265.061807	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+DMSO+H"	79.021207
"1018777"	269.100976	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2ACN+H"	83.060376
"1529249"	270.094608	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+IsoProp+Na+H"	84.054008
"993509"	135.054126	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+2ACN+2H"	84.067652
"1595667"	271.009228	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+K+HCOOH"	84.968628
"1420234"	301.040738	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+H+CF3COOH"	115.000138
"1151616"	155.567401	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+3ACN+2H"	125.094202
"1708822"	318.067285	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+NH4+CF3COOH"	132.026685
"1641190"	323.02268	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+Na+CF3COOH"	136.98208
"1575750"	338.99662	"C18565"	"Glyphosate-monoammonium"	"C3H8NO5PNH3"	"186.0406"	"M+K+CF3COOH"	152.95602
"814504"	71.9524	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M"	0
"981842"	52.93401	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-H2O-H"	-19.01839
"70085"	46.9609906666667	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M-3H"	-3.021828
"517299"	70.945124	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M-3H"	-3.021828
"890727"	22.9768573333333	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-3H"	-3.021828
"10395"	70.945124	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M-2H"	-2.014552
"443394"	106.921324	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M-2H"	-2.014552
"822289"	34.968924	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-2H"	-2.014552
"80334"	142.897524	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M-H"	-1.007276
"520752"	214.849924	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M-H"	-1.007276
"896241"	70.945124	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-H"	-1.007276
"49648"	159.924071	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M-2H+NH4"	16.019271
"493583"	231.876471	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M-2H+NH4"	16.019271
"864331"	87.971671	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-2H+NH4"	16.019271
"36011"	164.879466	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M-2H+Na"	20.974666
"476662"	236.831866	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M-2H+Na"	20.974666
"858843"	92.927066	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-2H+Na"	20.974666
"1630197"	92.927066	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Na-2H"	20.974666
"107457"	88.933463	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M-H+Cl"	33.962126
"549699"	124.909663	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M-H+Cl"	33.962126
"941874"	52.957263	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-H+Cl"	33.962126
"279817"	178.874202	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+Cl"	34.969402
"673697"	250.826602	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+Cl"	34.969402
"1288011"	106.921802	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Cl"	34.969402
"29995"	180.853406	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M-2H+K"	36.948606
"470939"	252.805806	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M-2H+K"	36.948606
"847968"	108.901006	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-2H+K"	36.948606
"1570725"	108.901006	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+K-2H"	36.948606
"955932"	116.950594	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-H+HCOOH"	44.998194
"375244"	188.903001	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+HCOOH-H"	44.998201
"348556"	202.918651	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+Hac-H"	59.013851
"1494842"	130.966251	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Hac-H"	59.013851
"961293"	138.932551	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-H+NaCOOH"	66.980151
"111416"	106.921802	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+2Cl"	69.938804
"552671"	142.898002	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+2Cl"	69.938804
"1021878"	70.945602	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2Cl"	69.938804
"1251991"	150.871285	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Br"	78.918885
"1314805"	152.927272	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Cl+HCOOH"	80.974872
"1335220"	174.909229	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Cl+NaCOOH"	102.956829
"926163"	184.937986	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M-H+CF3COOH"	112.985586
"1303718"	220.914664	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Cl+CF3COOH"	148.962264
"1382243"	36.939724	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H-2H2O"	-35.012676
"1398121"	54.9497	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H-H2O"	-17.0027
"296142"	144.912076	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+H"	1.007276
"689659"	216.864476	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+H"	1.007276
"1364187"	72.959676	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H"	1.007276
"140355"	72.959676	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+2H"	2.014552
"578822"	108.935876	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+2H"	2.014552
"1046525"	36.983476	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2H"	2.014552
"212238"	48.9755426666667	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+3H"	3.021828
"650713"	72.959676	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+3H"	3.021828
"1168838"	24.9914093333333	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+3H"	3.021828
"427005"	161.938623	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+NH4"	18.033823
"789094"	233.891023	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+NH4"	18.033823
"1683601"	89.986223	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+NH4"	18.033823
"330541"	81.4729495	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+H+NH4"	19.041099
"723369"	117.4491495	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+H+NH4"	19.041099
"1480311"	45.4967495	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H+NH4"	19.041099
"396438"	166.894018	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+Na"	22.989218
"756338"	238.846418	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+Na"	22.989218
"1604803"	94.941618	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Na"	22.989218
"322866"	83.950647	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+H+Na"	23.996494
"715288"	119.926847	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+H+Na"	23.996494
"1472389"	47.974447	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H+Na"	23.996494
"1064542"	32.3187233333333	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2H+Na"	25.00377
"1270843"	104.985886	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+CH3OH+H"	33.033486
"391357"	182.867958	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+K"	38.963158
"752719"	254.820358	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+K"	38.963158
"1551124"	110.915558	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+K"	38.963158
"310487"	91.937617	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+H+K"	39.970434
"701814"	127.913817	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+H+K"	39.970434
"1452353"	55.961417	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H+K"	39.970434
"244235"	185.938626	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+ACN+H"	42.033826
"1216943"	113.986226	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+ACN+H"	42.033826
"1199733"	57.496751	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+ACN+2H"	43.041102
"199167"	188.87596	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+2Na-H"	44.97116
"638726"	260.82836	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+2Na-H"	44.97116
"1140049"	116.92356	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2Na-H"	44.97116
"175683"	94.941618	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+2Na"	45.978436
"625090"	130.917818	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+2Na"	45.978436
"1128596"	58.965418	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2Na"	45.978436
"1411757"	39.6460373333333	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H+2Na"	46.985712
"1440955"	118.965146	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H+HCOOH"	47.012746
"231018"	99.97464	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+3H2O+2H"	56.04448
"1520899"	133.01719	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+IsoProp+H"	61.06479
"416213"	102.928588	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+Na+K"	61.952376
"773927"	138.904788	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+Na+K"	61.952376
"1667341"	66.952388	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Na+K"	61.952376
"251832"	207.920568	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+ACN+Na"	64.015768
"1228756"	135.968168	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+ACN+Na"	64.015768
"1714362"	135.991693	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+NH4+HCOOH"	64.039293
"1179345"	46.9733513333333	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+3Na"	68.967654
"1651791"	140.947088	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Na+HCOOH"	68.994688
"159751"	220.82384	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+2K-H"	76.91904
"603325"	292.77624	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+2K-H"	76.91904
"1094399"	148.87144	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2K-H"	76.91904
"153406"	110.915558	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"2M+2K"	77.926316
"591876"	146.891758	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"3M+2K"	77.926316
"1077482"	74.939358	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2K"	77.926316
"1113243"	150.885992	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2K+H"	78.933592
"1343797"	150.973607	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+DMSO+H"	79.021207
"1007953"	155.012776	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2ACN+H"	83.060376
"1527174"	156.006408	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+IsoProp+Na+H"	84.054008
"991435"	78.010026	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+2ACN+2H"	84.067652
"1589219"	156.921028	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+K+HCOOH"	84.968628
"1422532"	186.952538	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+H+CF3COOH"	115.000138
"1156101"	98.523301	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+3ACN+2H"	125.094202
"1706745"	203.979085	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+NH4+CF3COOH"	132.026685
"1641301"	208.93448	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+Na+CF3COOH"	136.98208
"1574767"	224.90842	"C18566"	"Calcium peroxide"	"CaO2"	"71.9524"	"M+K+CF3COOH"	152.95602
"815343"	505.9006	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M"	0
"983046"	486.88221	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-H2O-H"	-19.01839
"69101"	336.259790666667	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M-3H"	-3.021828
"517409"	504.893324	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M-3H"	-3.021828
"888650"	167.626257333333	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-3H"	-3.021828
"10504"	504.893324	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M-2H"	-2.014552
"445690"	757.843624	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M-2H"	-2.014552
"825678"	251.943024	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-2H"	-2.014552
"80444"	1010.793924	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M-H"	-1.007276
"519270"	1516.694524	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M-H"	-1.007276
"896222"	504.893324	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-H"	-1.007276
"47683"	1027.820471	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M-2H+NH4"	16.019271
"488710"	1533.721071	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M-2H+NH4"	16.019271
"864683"	521.919871	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-2H+NH4"	16.019271
"35027"	1032.775866	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M-2H+Na"	20.974666
"474585"	1538.676466	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M-2H+Na"	20.974666
"857857"	526.875266	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-2H+Na"	20.974666
"1627390"	526.875266	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Na-2H"	20.974666
"107201"	522.881663	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M-H+Cl"	33.962126
"548949"	775.831963	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M-H+Cl"	33.962126
"941858"	269.931363	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-H+Cl"	33.962126
"276643"	1046.770602	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+Cl"	34.969402
"673807"	1552.671202	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+Cl"	34.969402
"1285846"	540.870002	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Cl"	34.969402
"30225"	1048.749806	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M-2H+K"	36.948606
"471130"	1554.650406	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M-2H+K"	36.948606
"848078"	542.849206	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-2H+K"	36.948606
"1570227"	542.849206	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+K-2H"	36.948606
"953853"	550.898794	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-H+HCOOH"	44.998194
"375718"	1056.799401	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+HCOOH-H"	44.998201
"357780"	1070.815051	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+Hac-H"	59.013851
"1498231"	564.914451	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Hac-H"	59.013851
"962496"	572.880751	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-H+NaCOOH"	66.980151
"112498"	540.870002	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+2Cl"	69.938804
"552416"	793.820302	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+2Cl"	69.938804
"1022678"	287.919702	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2Cl"	69.938804
"1248090"	584.819485	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Br"	78.918885
"1312728"	586.875472	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Cl+HCOOH"	80.974872
"1333507"	608.857429	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Cl+NaCOOH"	102.956829
"926713"	618.886186	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M-H+CF3COOH"	112.985586
"1302366"	654.862864	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Cl+CF3COOH"	148.962264
"1378340"	470.887924	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H-2H2O"	-35.012676
"1396931"	488.8979	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H-H2O"	-17.0027
"294430"	1012.808476	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+H"	1.007276
"684665"	1518.709076	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+H"	1.007276
"1362108"	506.907876	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H"	1.007276
"137185"	506.907876	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+2H"	2.014552
"578932"	759.858176	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+2H"	2.014552
"1046635"	253.957576	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2H"	2.014552
"212348"	338.274342666667	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+3H"	3.021828
"657382"	506.907876	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+3H"	3.021828
"1173320"	169.640809333333	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+3H"	3.021828
"428940"	1029.835023	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+NH4"	18.033823
"789203"	1535.735623	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+NH4"	18.033823
"1682983"	523.934423	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+NH4"	18.033823
"332355"	515.4211495	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+H+NH4"	19.041099
"725143"	768.3714495	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+H+NH4"	19.041099
"1481879"	262.4708495	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H+NH4"	19.041099
"395455"	1034.790418	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+Na"	22.989218
"756084"	1540.691018	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+Na"	22.989218
"1606374"	528.889818	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Na"	22.989218
"324069"	517.898847	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+H+Na"	23.996494
"717584"	770.849147	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+H+Na"	23.996494
"1471405"	264.948547	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H+Na"	23.996494
"1064652"	176.968123333333	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2H+Na"	25.00377
"1271800"	538.934086	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+CH3OH+H"	33.033486
"392318"	1050.764358	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+K"	38.963158
"752462"	1556.664958	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+K"	38.963158
"1551234"	544.863758	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+K"	38.963158
"310597"	525.885817	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+H+K"	39.970434
"701924"	778.836117	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+H+K"	39.970434
"1454649"	272.935517	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H+K"	39.970434
"244345"	1053.835026	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+ACN+H"	42.033826
"1218147"	547.934426	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+ACN+H"	42.033826
"1199113"	274.470851	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+ACN+2H"	43.041102
"195994"	1056.77236	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+2Na-H"	44.97116
"635557"	1562.67296	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+2Na-H"	44.97116
"1141615"	550.87176	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2Na-H"	44.97116
"179074"	528.889818	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+2Na"	45.978436
"624839"	781.840118	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+2Na"	45.978436
"1129439"	275.939518	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2Na"	45.978436
"1410410"	184.295437333333	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H+2Na"	46.985712
"1444228"	552.913346	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H+HCOOH"	47.012746
"231856"	533.92284	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+3H2O+2H"	56.04448
"1519917"	566.96539	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+IsoProp+H"	61.06479
"417416"	536.876788	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+Na+K"	61.952376
"776224"	789.827088	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+Na+K"	61.952376
"1667208"	283.926488	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Na+K"	61.952376
"253970"	1075.816968	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+ACN+Na"	64.015768
"1228502"	569.916368	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+ACN+Na"	64.015768
"1713010"	569.939893	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+NH4+HCOOH"	64.039293
"1179821"	191.622751333333	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+3Na"	68.967654
"1650810"	574.895288	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Na+HCOOH"	68.994688
"158518"	1088.72024	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+2K-H"	76.91904
"603435"	1594.62084	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+2K-H"	76.91904
"1089038"	582.81964	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2K-H"	76.91904
"152422"	544.863758	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"2M+2K"	77.926316
"594173"	797.814058	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"3M+2K"	77.926316
"1078685"	291.913458	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2K"	77.926316
"1109707"	584.834192	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2K+H"	78.933592
"1342815"	584.921807	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+DMSO+H"	79.021207
"1011344"	588.960976	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2ACN+H"	83.060376
"1528377"	589.954608	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+IsoProp+Na+H"	84.054008
"990816"	294.984126	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+2ACN+2H"	84.067652
"1591516"	590.869228	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+K+HCOOH"	84.968628
"1422643"	620.900738	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+H+CF3COOH"	115.000138
"1156211"	315.497401	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+3ACN+2H"	125.094202
"1706855"	637.927285	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+NH4+CF3COOH"	132.026685
"1641411"	642.88268	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+Na+CF3COOH"	136.98208
"1574877"	658.85662	"C18567"	"Thallium sulfate"	"Tl2SO4"	"505.9006"	"M+K+CF3COOH"	152.95602
"815817"	535.4057	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M"	0
"987529"	516.38731	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-H2O-H"	-19.01839
"75772"	355.929857333333	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M-3H"	-3.021828
"515333"	534.398424	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M-3H"	-3.021828
"893863"	177.461290666667	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-3H"	-3.021828
"11707"	534.398424	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M-2H"	-2.014552
"446893"	802.101274	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M-2H"	-2.014552
"825788"	266.695574	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-2H"	-2.014552
"84684"	1069.804124	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M-H"	-1.007276
"520472"	1605.209824	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M-H"	-1.007276
"898768"	534.398424	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-H"	-1.007276
"48280"	1086.830671	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M-2H+NH4"	16.019271
"488212"	1622.236371	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M-2H+NH4"	16.019271
"865040"	551.424971	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-2H+NH4"	16.019271
"37324"	1091.786066	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M-2H+Na"	20.974666
"479070"	1627.191766	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M-2H+Na"	20.974666
"861249"	556.380366	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-2H+Na"	20.974666
"1630053"	556.380366	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Na-2H"	20.974666
"107311"	552.386763	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M-H+Cl"	33.962126
"549303"	820.089613	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M-H+Cl"	33.962126
"941116"	284.683913	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-H+Cl"	33.962126
"276391"	1105.780802	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+Cl"	34.969402
"672823"	1641.186502	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+Cl"	34.969402
"1286685"	570.375102	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Cl"	34.969402
"30700"	1107.760006	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M-2H+K"	36.948606
"468078"	1643.165706	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M-2H+K"	36.948606
"846971"	572.354306	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-2H+K"	36.948606
"1568274"	572.354306	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+K-2H"	36.948606
"956884"	580.403894	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-H+HCOOH"	44.998194
"374006"	1115.809601	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+HCOOH-H"	44.998201
"357894"	1129.825251	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+Hac-H"	59.013851
"1496155"	594.419551	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Hac-H"	59.013851
"959690"	602.385851	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-H+NaCOOH"	66.980151
"111757"	570.375102	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+2Cl"	69.938804
"551069"	838.077952	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+2Cl"	69.938804
"1024604"	302.672252	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2Cl"	69.938804
"1243826"	614.324585	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Br"	78.918885
"1311742"	616.380572	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Cl+HCOOH"	80.974872
"1328148"	638.362529	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Cl+NaCOOH"	102.956829
"925039"	648.391286	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M-H+CF3COOH"	112.985586
"1297009"	684.367964	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Cl+CF3COOH"	148.962264
"1378450"	500.393024	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H-2H2O"	-35.012676
"1396677"	518.403	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H-H2O"	-17.0027
"295634"	1071.818676	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+H"	1.007276
"684775"	1607.224376	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+H"	1.007276
"1366229"	536.412976	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H"	1.007276
"140575"	536.412976	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+2H"	2.014552
"580628"	804.115826	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+2H"	2.014552
"1048934"	268.710126	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2H"	2.014552
"213554"	357.944409333333	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+3H"	3.021828
"652027"	536.412976	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+3H"	3.021828
"1167964"	179.475842666667	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+3H"	3.021828
"429415"	1088.845223	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+NH4"	18.033823
"787492"	1624.250923	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+NH4"	18.033823
"1684189"	553.439523	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+NH4"	18.033823
"332102"	544.9262495	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+H+NH4"	19.041099
"727076"	812.6290995	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+H+NH4"	19.041099
"1480896"	277.2233995	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H+NH4"	19.041099
"397388"	1093.800618	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+Na"	22.989218
"758382"	1629.206318	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+Na"	22.989218
"1605026"	558.394918	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Na"	22.989218
"325272"	547.403947	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+H+Na"	23.996494
"718787"	815.106797	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+H+Na"	23.996494
"1469328"	279.701097	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H+Na"	23.996494
"1064762"	186.803156666667	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2H+Na"	25.00377
"1271910"	568.439186	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+CH3OH+H"	33.033486
"390484"	1109.774558	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+K"	38.963158
"751479"	1645.180258	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+K"	38.963158
"1551344"	574.368858	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+K"	38.963158
"309614"	555.390917	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+H+K"	39.970434
"703128"	823.093767	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+H+K"	39.970434
"1456947"	287.688067	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H+K"	39.970434
"247736"	1112.845226	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+ACN+H"	42.033826
"1218257"	577.439526	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+ACN+H"	42.033826
"1204327"	289.223401	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+ACN+2H"	43.041102
"196104"	1115.78256	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+2Na-H"	44.97116
"637854"	1651.18826	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+2Na-H"	44.97116
"1141362"	580.37686	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2Na-H"	44.97116
"179184"	558.394918	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+2Na"	45.978436
"626651"	826.097768	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+2Na"	45.978436
"1130524"	290.692068	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2Na"	45.978436
"1413687"	194.130470666667	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H+2Na"	46.985712
"1444948"	582.418446	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H+HCOOH"	47.012746
"233060"	563.42794	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+3H2O+2H"	56.04448
"1522944"	596.47049	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+IsoProp+H"	61.06479
"419713"	566.381888	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+Na+K"	61.952376
"776334"	834.084738	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+Na+K"	61.952376
"1671571"	298.679038	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Na+K"	61.952376
"254809"	1134.827168	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+ACN+Na"	64.015768
"1232986"	599.421468	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+ACN+Na"	64.015768
"1715670"	599.444993	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+NH4+HCOOH"	64.039293
"1182849"	201.457784666667	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+3Na"	68.967654
"1654929"	604.400388	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Na+HCOOH"	68.994688
"160693"	1147.73044	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+2K-H"	76.91904
"603545"	1683.13614	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+2K-H"	76.91904
"1091334"	612.32474	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2K-H"	76.91904
"153625"	574.368858	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"2M+2K"	77.926316
"589909"	842.071708	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"3M+2K"	77.926316
"1076608"	306.666008	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2K"	77.926316
"1107630"	614.339292	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2K+H"	78.933592
"1347666"	614.426907	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+DMSO+H"	79.021207
"1014735"	618.466076	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2ACN+H"	83.060376
"1528487"	619.459708	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+IsoProp+Na+H"	84.054008
"996029"	309.736676	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+2ACN+2H"	84.067652
"1591626"	620.374328	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+K+HCOOH"	84.968628
"1424940"	650.405838	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+H+CF3COOH"	115.000138
"1154134"	330.249951	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+3ACN+2H"	125.094202
"1709152"	667.432385	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+NH4+CF3COOH"	132.026685
"1641521"	672.38778	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+Na+CF3COOH"	136.98208
"1573894"	688.36172	"C18568"	"Iminoctadine acetate"	"C18H41N7(C2H4O2)3"	"535.4057"	"M+K+CF3COOH"	152.95602
"809734"	527.0707	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M"	0
"976704"	508.05231	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-H2O-H"	-19.01839
"70415"	350.373190666667	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M-3H"	-3.021828
"514348"	526.063424	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M-3H"	-3.021828
"895348"	174.682957333333	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-3H"	-3.021828
"11815"	526.063424	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M-2H"	-2.014552
"445908"	789.598774	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M-2H"	-2.014552
"821523"	262.528074	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-2H"	-2.014552
"79123"	1053.134124	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M-H"	-1.007276
"518793"	1580.204824	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M-H"	-1.007276
"898877"	526.063424	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-H"	-1.007276
"48149"	1070.160671	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M-2H+NH4"	16.019271
"487467"	1597.231371	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M-2H+NH4"	16.019271
"864907"	543.089971	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-2H+NH4"	16.019271
"37434"	1075.116066	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M-2H+Na"	20.974666
"479180"	1602.186766	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M-2H+Na"	20.974666
"858077"	548.045366	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-2H+Na"	20.974666
"1628704"	548.045366	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Na-2H"	20.974666
"106694"	544.051763	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M-H+Cl"	33.962126
"549377"	807.587113	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M-H+Cl"	33.962126
"942488"	280.516413	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-H+Cl"	33.962126
"281849"	1089.110802	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+Cl"	34.969402
"670017"	1616.181502	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+Cl"	34.969402
"1283880"	562.040102	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Cl"	34.969402
"27530"	1091.090006	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M-2H+K"	36.948606
"468185"	1618.160706	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M-2H+K"	36.948606
"847079"	564.019306	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-2H+K"	36.948606
"1565098"	564.019306	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+K-2H"	36.948606
"954439"	572.068894	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-H+HCOOH"	44.998194
"372656"	1099.139601	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+HCOOH-H"	44.998201
"358365"	1113.155251	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+Hac-H"	59.013851
"1498451"	586.084551	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Hac-H"	59.013851
"959309"	594.050851	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-H+NaCOOH"	66.980151
"111746"	562.040102	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+2Cl"	69.938804
"551300"	825.575452	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+2Cl"	69.938804
"1026901"	298.504752	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2Cl"	69.938804
"1243936"	605.989585	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Br"	78.918885
"1311852"	608.045572	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Cl+HCOOH"	80.974872
"1322788"	630.027529	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Cl+NaCOOH"	102.956829
"917129"	640.056286	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M-H+CF3COOH"	112.985586
"1301129"	676.032964	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Cl+CF3COOH"	148.962264
"1370905"	492.058024	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H-2H2O"	-35.012676
"1396058"	510.068	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H-H2O"	-17.0027
"292464"	1055.148676	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+H"	1.007276
"685979"	1582.219376	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+H"	1.007276
"1363425"	528.077976	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H"	1.007276
"138498"	528.077976	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+2H"	2.014552
"580856"	791.613326	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+2H"	2.014552
"1049045"	264.542626	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2H"	2.014552
"214756"	352.387742666667	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+3H"	3.021828
"652137"	528.077976	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+3H"	3.021828
"1165888"	176.697509333333	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+3H"	3.021828
"430254"	1072.175223	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+NH4"	18.033823
"788696"	1599.245923	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+NH4"	18.033823
"1685027"	545.104523	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+NH4"	18.033823
"335858"	536.5912495	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+H+NH4"	19.041099
"729373"	800.1265995	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+H+NH4"	19.041099
"1484286"	273.0558995	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H+NH4"	19.041099
"397862"	1077.130618	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+Na"	22.989218
"761773"	1604.201318	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+Na"	22.989218
"1613162"	550.059918	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Na"	22.989218
"322104"	539.068947	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+H+Na"	23.996494
"718902"	802.604297	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+H+Na"	23.996494
"1471627"	275.533597	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H+Na"	23.996494
"1067189"	184.024823333333	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2H+Na"	25.00377
"1272192"	560.104186	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+CH3OH+H"	33.033486
"391698"	1093.104558	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+K"	38.963158
"754070"	1620.175258	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+K"	38.963158
"1551823"	566.033858	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+K"	38.963158
"308633"	547.055917	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+H+K"	39.970434
"701054"	810.591267	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+H+K"	39.970434
"1458156"	283.520567	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H+K"	39.970434
"244570"	1096.175226	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+ACN+H"	42.033826
"1222745"	569.104526	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+ACN+H"	42.033826
"1202252"	285.055901	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+ACN+2H"	43.041102
"197310"	1099.11256	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+2Na-H"	44.97116
"637964"	1626.18326	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+2Na-H"	44.97116
"1141471"	572.04186	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2Na-H"	44.97116
"180387"	550.059918	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+2Na"	45.978436
"626882"	813.595268	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+2Na"	45.978436
"1129658"	286.524568	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2Na"	45.978436
"1413547"	191.352137333333	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H+2Na"	46.985712
"1444934"	574.083446	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H+HCOOH"	47.012746
"235237"	555.09294	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+3H2O+2H"	56.04448
"1522691"	588.13549	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+IsoProp+H"	61.06479
"419823"	558.046888	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+Na+K"	61.952376
"779725"	821.582238	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+Na+K"	61.952376
"1676056"	294.511538	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Na+K"	61.952376
"257108"	1118.157168	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+ACN+Na"	64.015768
"1228721"	591.086468	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+ACN+Na"	64.015768
"1716515"	591.109993	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+NH4+HCOOH"	64.039293
"1180774"	198.679451333333	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+3Na"	68.967654
"1651759"	596.065388	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Na+HCOOH"	68.994688
"158981"	1131.06044	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+2K-H"	76.91904
"603655"	1658.13114	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+2K-H"	76.91904
"1090353"	603.98974	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2K-H"	76.91904
"153735"	566.033858	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"2M+2K"	77.926316
"590014"	829.569208	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"3M+2K"	77.926316
"1074531"	302.498508	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2K"	77.926316
"1107739"	606.004292	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2K+H"	78.933592
"1348140"	606.091907	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+DMSO+H"	79.021207
"1014845"	610.131076	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2ACN+H"	83.060376
"1527503"	611.124708	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+IsoProp+Na+H"	84.054008
"997233"	305.569176	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+2ACN+2H"	84.067652
"1596110"	612.039328	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+K+HCOOH"	84.968628
"1423955"	642.070838	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+H+CF3COOH"	115.000138
"1156431"	326.082451	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+3ACN+2H"	125.094202
"1712462"	659.097385	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+NH4+CF3COOH"	132.026685
"1641631"	664.05278	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+Na+CF3COOH"	136.98208
"1574004"	680.02672	"C18569"	"Indoxacarb"	"C22H17ClF3N3O7"	"527.0707"	"M+K+CF3COOH"	152.95602
"809844"	221.0356	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M"	0
"983375"	202.01721	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-H2O-H"	-19.01839
"71619"	146.349790666667	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M-3H"	-3.021828
"517621"	220.028324	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M-3H"	-3.021828
"894326"	72.6712573333333	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-3H"	-3.021828
"14362"	220.028324	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M-2H"	-2.014552
"452579"	330.546124	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M-2H"	-2.014552
"826007"	109.510524	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-2H"	-2.014552
"84175"	441.063924	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M-H"	-1.007276
"523372"	662.099524	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M-H"	-1.007276
"901174"	220.028324	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-H"	-1.007276
"47651"	458.090471	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M-2H+NH4"	16.019271
"487251"	679.126071	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M-2H+NH4"	16.019271
"864240"	237.054871	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-2H+NH4"	16.019271
"41919"	463.045866	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M-2H+Na"	20.974666
"479291"	684.081466	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M-2H+Na"	20.974666
"857094"	242.010266	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-2H+Na"	20.974666
"1627720"	242.010266	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Na-2H"	20.974666
"108991"	238.016663	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M-H+Cl"	33.962126
"549279"	348.534463	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M-H+Cl"	33.962126
"942189"	127.498863	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-H+Cl"	33.962126
"279892"	477.040602	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+Cl"	34.969402
"667940"	698.076202	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+Cl"	34.969402
"1285084"	256.005002	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Cl"	34.969402
"24360"	479.019806	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M-2H+K"	36.948606
"467202"	700.055406	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M-2H+K"	36.948606
"841722"	257.984206	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-2H+K"	36.948606
"1568489"	257.984206	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+K-2H"	36.948606
"954914"	266.033794	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-H+HCOOH"	44.998194
"374953"	487.069401	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+HCOOH-H"	44.998201
"360541"	501.085051	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+Hac-H"	59.013851
"1494191"	280.049451	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Hac-H"	59.013851
"962828"	288.015751	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-H+NaCOOH"	66.980151
"111856"	256.005002	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+2Cl"	69.938804
"550316"	366.522802	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+2Cl"	69.938804
"1021912"	145.487202	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2Cl"	69.938804
"1247327"	299.954485	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Br"	78.918885
"1309776"	302.010472	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Cl+HCOOH"	80.974872
"1326180"	323.992429	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Cl+NaCOOH"	102.956829
"924894"	334.021186	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M-H+CF3COOH"	112.985586
"1292125"	369.997864	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Cl+CF3COOH"	148.962264
"1381223"	186.022924	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H-2H2O"	-35.012676
"1395074"	204.0329	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H-H2O"	-17.0027
"295856"	443.078476	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+H"	1.007276
"687184"	664.114076	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+H"	1.007276
"1365720"	222.042876	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H"	1.007276
"133142"	222.042876	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+2H"	2.014552
"577077"	332.560676	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+2H"	2.014552
"1046967"	111.525076	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2H"	2.014552
"211587"	148.364342666667	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+3H"	3.021828
"652246"	222.042876	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+3H"	3.021828
"1168185"	74.6858093333333	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+3H"	3.021828
"429271"	460.105023	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+NH4"	18.033823
"789536"	681.140623	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+NH4"	18.033823
"1684044"	239.069423	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+NH4"	18.033823
"334876"	230.5561495	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+H+NH4"	19.041099
"728389"	341.0739495	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+H+NH4"	19.041099
"1483302"	120.0383495	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H+NH4"	19.041099
"398702"	465.060418	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+Na"	22.989218
"758967"	686.096018	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+Na"	22.989218
"1614365"	244.024818	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Na"	22.989218
"322214"	233.033847	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+H+Na"	23.996494
"716825"	343.551647	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+H+Na"	23.996494
"1471737"	122.516047	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H+Na"	23.996494
"1067663"	82.0131233333333	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2H+Na"	25.00377
"1271410"	254.069086	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+CH3OH+H"	33.033486
"392009"	481.034358	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+K"	38.963158
"753856"	702.069958	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+K"	38.963158
"1552661"	259.998758	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+K"	38.963158
"308743"	241.020817	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+H+K"	39.970434
"701164"	351.538617	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+H+K"	39.970434
"1457173"	130.503017	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H+K"	39.970434
"246866"	484.105026	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+ACN+H"	42.033826
"1220669"	263.069426	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+ACN+H"	42.033826
"1200176"	132.038351	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+ACN+2H"	43.041102
"196327"	487.04236	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+2Na-H"	44.97116
"638074"	708.07796	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+2Na-H"	44.97116
"1140486"	266.00676	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2Na-H"	44.97116
"180861"	244.024818	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+2Na"	45.978436
"626628"	354.542618	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+2Na"	45.978436
"1129768"	133.507018	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2Na"	45.978436
"1412562"	89.3404373333333	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H+2Na"	46.985712
"1443948"	268.048346	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H+HCOOH"	47.012746
"235063"	249.05784	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+3H2O+2H"	56.04448
"1523490"	282.10039	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+IsoProp+H"	61.06479
"418841"	252.011788	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+Na+K"	61.952376
"778742"	362.529588	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+Na+K"	61.952376
"1676896"	141.493988	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Na+K"	61.952376
"258312"	506.086968	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+ACN+Na"	64.015768
"1228831"	285.051368	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+ACN+Na"	64.015768
"1716625"	285.074893	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+NH4+HCOOH"	64.039293
"1180155"	96.6677513333333	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+3Na"	68.967654
"1652597"	290.030288	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Na+HCOOH"	68.994688
"159819"	518.99024	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+2K-H"	76.91904
"607044"	740.02584	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+2K-H"	76.91904
"1092649"	297.95464	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2K-H"	76.91904
"155911"	259.998758	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"2M+2K"	77.926316
"586844"	370.516558	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"3M+2K"	77.926316
"1075734"	149.480958	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2K"	77.926316
"1107849"	299.969192	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2K+H"	78.933592
"1348250"	300.056807	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+DMSO+H"	79.021207
"1016048"	304.095976	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2ACN+H"	83.060376
"1530893"	305.089608	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+IsoProp+Na+H"	84.054008
"998436"	152.551626	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+2ACN+2H"	84.067652
"1595126"	306.004228	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+K+HCOOH"	84.968628
"1426253"	336.035738	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+H+CF3COOH"	115.000138
"1156541"	173.064901	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+3ACN+2H"	125.094202
"1712167"	353.062285	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+NH4+CF3COOH"	132.026685
"1641741"	358.01768	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+Na+CF3COOH"	136.98208
"1574114"	373.99162	"C18570"	"Chloridazon"	"C10H8ClN3O"	"221.0356"	"M+K+CF3COOH"	152.95602
"816027"	375.0793	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M"	0
"983485"	356.06091	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-H2O-H"	-19.01839
"72823"	249.045590666667	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M-3H"	-3.021828
"517004"	374.072024	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M-3H"	-3.021828
"893100"	124.019157333333	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-3H"	-3.021828
"12895"	374.072024	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M-2H"	-2.014552
"449409"	561.611674	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M-2H"	-2.014552
"827211"	186.532374	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-2H"	-2.014552
"83921"	749.151324	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M-H"	-1.007276
"522389"	1124.230624	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M-H"	-1.007276
"899098"	374.072024	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-H"	-1.007276
"47185"	766.177871	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M-2H+NH4"	16.019271
"488055"	1141.257171	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M-2H+NH4"	16.019271
"864885"	391.098571	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-2H+NH4"	16.019271
"42029"	771.133266	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M-2H+Na"	20.974666
"481588"	1146.212566	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M-2H+Na"	20.974666
"855015"	396.053966	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-2H+Na"	20.974666
"1624548"	396.053966	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Na-2H"	20.974666
"107278"	392.060363	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M-H+Cl"	33.962126
"547201"	579.600013	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M-H+Cl"	33.962126
"938163"	204.520713	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-H+Cl"	33.962126
"281584"	785.128002	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+Cl"	34.969402
"665134"	1160.207302	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+Cl"	34.969402
"1280821"	410.048702	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Cl"	34.969402
"24470"	787.107206	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M-2H+K"	36.948606
"465126"	1162.186506	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M-2H+K"	36.948606
"838552"	412.027906	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-2H+K"	36.948606
"1565319"	412.027906	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+K-2H"	36.948606
"952108"	420.077494	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-H+HCOOH"	44.998194
"369231"	795.156801	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+HCOOH-H"	44.998201
"357491"	809.172451	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+Hac-H"	59.013851
"1497580"	434.093151	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Hac-H"	59.013851
"962938"	442.059451	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-H+NaCOOH"	66.980151
"111845"	410.048702	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+2Cl"	69.938804
"551033"	597.588352	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+2Cl"	69.938804
"1021700"	222.509052	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2Cl"	69.938804
"1246344"	453.998185	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Br"	78.918885
"1309886"	456.054172	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Cl+HCOOH"	80.974872
"1325197"	478.036129	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Cl+NaCOOH"	102.956829
"924640"	488.064886	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M-H+CF3COOH"	112.985586
"1291871"	524.041564	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Cl+CF3COOH"	148.962264
"1377687"	340.066624	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H-2H2O"	-35.012676
"1395184"	358.0766	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H-H2O"	-17.0027
"294873"	751.165876	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+H"	1.007276
"684014"	1126.245176	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+H"	1.007276
"1364736"	376.086576	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H"	1.007276
"132159"	376.086576	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+2H"	2.014552
"577187"	563.626226	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+2H"	2.014552
"1045984"	188.546926	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2H"	2.014552
"210604"	251.060142666667	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+3H"	3.021828
"649073"	376.086576	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+3H"	3.021828
"1169386"	126.033709333333	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+3H"	3.021828
"426463"	768.192423	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+NH4"	18.033823
"788189"	1143.271723	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+NH4"	18.033823
"1684520"	393.113123	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+NH4"	18.033823
"334986"	384.5998495	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+H+NH4"	19.041099
"728499"	572.1394995	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+H+NH4"	19.041099
"1480859"	197.0601995	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H+NH4"	19.041099
"396625"	773.147818	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+Na"	22.989218
"758713"	1148.227118	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+Na"	22.989218
"1614111"	398.068518	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Na"	22.989218
"322324"	387.077547	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+H+Na"	23.996494
"719121"	574.617197	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+H+Na"	23.996494
"1472940"	199.537897	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H+Na"	23.996494
"1066195"	133.361023333333	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2H+Na"	25.00377
"1271155"	408.112786	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+CH3OH+H"	33.033486
"391552"	789.121758	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+K"	38.963158
"753968"	1164.201058	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+K"	38.963158
"1552771"	414.042458	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+K"	38.963158
"307760"	395.064517	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+H+K"	39.970434
"699088"	582.604167	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+H+K"	39.970434
"1456919"	207.524867	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H+K"	39.970434
"244790"	792.192426	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+ACN+H"	42.033826
"1220779"	417.113126	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+ACN+H"	42.033826
"1200286"	209.060201	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+ACN+2H"	43.041102
"197166"	795.12976	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+2Na-H"	44.97116
"637091"	1170.20906	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+2Na-H"	44.97116
"1139504"	420.05046	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2Na-H"	44.97116
"179149"	398.068518	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+2Na"	45.978436
"626738"	585.608168	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+2Na"	45.978436
"1130729"	210.528868	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2Na"	45.978436
"1413280"	140.688337333333	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H+2Na"	46.985712
"1444423"	422.092046	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H+HCOOH"	47.012746
"233756"	403.10154	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+3H2O+2H"	56.04448
"1523276"	436.14409	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+IsoProp+H"	61.06479
"416764"	406.055488	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+Na+K"	61.952376
"776665"	593.595138	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+Na+K"	61.952376
"1675183"	218.515838	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Na+K"	61.952376
"258422"	814.174368	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+ACN+Na"	64.015768
"1230034"	439.095068	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+ACN+Na"	64.015768
"1716734"	439.118593	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+NH4+HCOOH"	64.039293
"1180994"	148.015651333333	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+3Na"	68.967654
"1651614"	444.073988	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Na+HCOOH"	68.994688
"159566"	827.07764	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+2K-H"	76.91904
"604968"	1202.15694	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+2K-H"	76.91904
"1091666"	451.99834	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2K-H"	76.91904
"153590"	414.042458	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"2M+2K"	77.926316
"588048"	601.582108	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"3M+2K"	77.926316
"1076936"	226.502808	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2K"	77.926316
"1111240"	454.012892	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2K+H"	78.933592
"1348725"	454.100507	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+DMSO+H"	79.021207
"1017254"	458.139676	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2ACN+H"	83.060376
"1532097"	459.133308	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+IsoProp+Na+H"	84.054008
"998546"	229.573476	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+2ACN+2H"	84.067652
"1596330"	460.047928	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+K+HCOOH"	84.968628
"1428550"	490.079438	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+H+CF3COOH"	115.000138
"1158838"	250.086751	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+3ACN+2H"	125.094202
"1712561"	507.105985	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+NH4+CF3COOH"	132.026685
"1641851"	512.06138	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+Na+CF3COOH"	136.98208
"1574224"	528.03532	"C18571"	"Oxaziclomefone"	"C20H19Cl2NO2"	"375.0793"	"M+K+CF3COOH"	152.95602
"816708"	838.3224	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M"	0
"986876"	819.30401	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-H2O-H"	-19.01839
"77552"	557.874324	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M-3H"	-3.021828
"517111"	837.315124	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M-3H"	-3.021828
"892480"	278.433524	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-3H"	-3.021828
"15062"	837.315124	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M-2H"	-2.014552
"449519"	1256.476324	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M-2H"	-2.014552
"828414"	418.153924	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-2H"	-2.014552
"81845"	1675.637524	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M-H"	-1.007276
"521406"	2513.959924	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M-H"	-1.007276
"898236"	837.315124	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-H"	-1.007276
"47868"	1692.664071	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M-2H+NH4"	16.019271
"487924"	2530.986471	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M-2H+NH4"	16.019271
"865117"	854.341671	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-2H+NH4"	16.019271
"45666"	1697.619466	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M-2H+Na"	20.974666
"484738"	2535.941866	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M-2H+Na"	20.974666
"860229"	859.297066	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-2H+Na"	20.974666
"1633655"	859.297066	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Na-2H"	20.974666
"106659"	855.303463	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M-H+Cl"	33.962126
"549669"	1274.464663	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M-H+Cl"	33.962126
"942493"	436.142263	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-H+Cl"	33.962126
"281938"	1711.614202	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+Cl"	34.969402
"673143"	2549.936602	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+Cl"	34.969402
"1285306"	873.291802	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Cl"	34.969402
"23487"	1713.593406	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M-2H+K"	36.948606
"467422"	2551.915806	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M-2H+K"	36.948606
"837569"	875.271006	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-2H+K"	36.948606
"1563242"	875.271006	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+K-2H"	36.948606
"951125"	883.320594	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-H+HCOOH"	44.998194
"374445"	1721.643001	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+HCOOH-H"	44.998201
"359061"	1735.658651	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+Hac-H"	59.013851
"1498782"	897.336251	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Hac-H"	59.013851
"963048"	905.302551	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-H+NaCOOH"	66.980151
"115235"	873.291802	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+2Cl"	69.938804
"552241"	1292.453002	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+2Cl"	69.938804
"1025780"	454.130602	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2Cl"	69.938804
"1243898"	917.241285	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Br"	78.918885
"1309995"	919.297272	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Cl+HCOOH"	80.974872
"1323120"	941.279229	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Cl+NaCOOH"	102.956829
"924020"	951.307986	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M-H+CF3COOH"	112.985586
"1291982"	987.284664	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Cl+CF3COOH"	148.962264
"1375610"	803.309724	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H-2H2O"	-35.012676
"1395295"	821.3197	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H-H2O"	-17.0027
"296440"	1677.652076	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+H"	1.007276
"688496"	2515.974476	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+H"	1.007276
"1362662"	839.329676	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H"	1.007276
"136642"	839.329676	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+2H"	2.014552
"577297"	1258.490876	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+2H"	2.014552
"1046094"	420.168476	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2H"	2.014552
"210714"	559.888876	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+3H"	3.021828
"648089"	839.329676	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+3H"	3.021828
"1169496"	280.448076	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+3H"	3.021828
"425844"	1694.678623	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+NH4"	18.033823
"786838"	2533.001023	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+NH4"	18.033823
"1686818"	856.356223	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+NH4"	18.033823
"337283"	847.8429495	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+H+NH4"	19.041099
"731893"	1267.0041495	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+H+NH4"	19.041099
"1485711"	428.6817495	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H+NH4"	19.041099
"400015"	1699.634018	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+Na"	22.989218
"759917"	2537.956418	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+Na"	22.989218
"1616407"	861.311618	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Na"	22.989218
"322434"	850.320647	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+H+Na"	23.996494
"721297"	1269.481847	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+H+Na"	23.996494
"1474143"	431.159447	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H+Na"	23.996494
"1067512"	287.77539	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2H+Na"	25.00377
"1271254"	871.355886	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+CH3OH+H"	33.033486
"390925"	1715.607958	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+K"	38.963158
"749369"	2553.930358	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+K"	38.963158
"1552517"	877.285558	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+K"	38.963158
"311515"	858.307617	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+H+K"	39.970434
"701383"	1277.468817	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+H+K"	39.970434
"1455206"	439.146417	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H+K"	39.970434
"246358"	1718.678626	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+ACN+H"	42.033826
"1221618"	880.356226	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+ACN+H"	42.033826
"1200396"	440.681751	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+ACN+2H"	43.041102
"197640"	1721.61596	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+2Na-H"	44.97116
"639388"	2559.93836	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+2Na-H"	44.97116
"1140706"	883.29356	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2Na-H"	44.97116
"182905"	861.311618	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+2Na"	45.978436
"627698"	1280.472818	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+2Na"	45.978436
"1130966"	442.150418	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2Na"	45.978436
"1413514"	295.102704	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H+2Na"	46.985712
"1444775"	885.335146	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H+HCOOH"	47.012746
"234957"	866.34464	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+3H2O+2H"	56.04448
"1521560"	899.38719	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+IsoProp+H"	61.06479
"414687"	869.298588	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+Na+K"	61.952376
"776775"	1288.459788	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+Na+K"	61.952376
"1675293"	450.137388	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Na+K"	61.952376
"259625"	1740.660568	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+ACN+Na"	64.015768
"1229051"	902.338168	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+ACN+Na"	64.015768
"1715751"	902.361693	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+NH4+HCOOH"	64.039293
"1181104"	302.430018	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+3Na"	68.967654
"1652453"	907.317088	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Na+HCOOH"	68.994688
"159676"	1753.56384	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+2K-H"	76.91904
"605077"	2591.88624	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+2K-H"	76.91904
"1090682"	915.24144	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2K-H"	76.91904
"153700"	877.285558	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"2M+2K"	77.926316
"588158"	1296.446758	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"3M+2K"	77.926316
"1079600"	458.124358	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2K"	77.926316
"1110624"	917.255992	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2K+H"	78.933592
"1349929"	917.343607	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+DMSO+H"	79.021207
"1019552"	921.382776	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2ACN+H"	83.060376
"1536218"	922.376408	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+IsoProp+Na+H"	84.054008
"1000115"	461.195026	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+2ACN+2H"	84.067652
"1599356"	923.291028	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+K+HCOOH"	84.968628
"1429271"	953.322538	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+H+CF3COOH"	115.000138
"1160041"	481.708301	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+3ACN+2H"	125.094202
"1711780"	970.349085	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+NH4+CF3COOH"	132.026685
"1641961"	975.30448	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+Na+CF3COOH"	136.98208
"1574334"	991.27842	"C18572"	"Oxpoconazole fumarate"	"(C19H24ClN3O2)2C4H4O4"	"838.3224"	"M+K+CF3COOH"	152.95602
"815639"	324.0448	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M"	0
"986985"	305.02641	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-H2O-H"	-19.01839
"76324"	215.022590666667	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M-3H"	-3.021828
"515882"	323.037524	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M-3H"	-3.021828
"893683"	107.007657333333	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-3H"	-3.021828
"12256"	323.037524	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M-2H"	-2.014552
"446348"	485.059924	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M-2H"	-2.014552
"824151"	161.015124	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-2H"	-2.014552
"81954"	647.082324	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M-H"	-1.007276
"521151"	971.127124	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M-H"	-1.007276
"896766"	323.037524	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-H"	-1.007276
"47983"	664.108871	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M-2H+NH4"	16.019271
"488638"	988.153671	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M-2H+NH4"	16.019271
"864373"	340.064071	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-2H+NH4"	16.019271
"45533"	669.064266	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M-2H+Na"	20.974666
"483997"	993.109066	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M-2H+Na"	20.974666
"860339"	345.019466	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-2H+Na"	20.974666
"1633280"	345.019466	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Na-2H"	20.974666
"107862"	341.025863	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M-H+Cl"	33.962126
"549009"	503.048263	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M-H+Cl"	33.962126
"941794"	179.003463	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-H+Cl"	33.962126
"282054"	683.059002	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+Cl"	34.969402
"673738"	1007.103802	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+Cl"	34.969402
"1285052"	359.014202	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Cl"	34.969402
"23597"	685.038206	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M-2H+K"	36.948606
"465346"	1009.083006	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M-2H+K"	36.948606
"839866"	360.993406	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-2H+K"	36.948606
"1563352"	360.993406	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+K-2H"	36.948606
"954881"	369.042994	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-H+HCOOH"	44.998194
"374920"	693.087801	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+HCOOH-H"	44.998201
"358076"	707.103451	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+Hac-H"	59.013851
"1495971"	383.058651	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Hac-H"	59.013851
"959878"	391.024951	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-H+NaCOOH"	66.980151
"110969"	359.014202	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+2Cl"	69.938804
"551983"	521.036602	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+2Cl"	69.938804
"1022970"	196.991802	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2Cl"	69.938804
"1242915"	402.963685	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Br"	78.918885
"1315573"	405.019672	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Cl+HCOOH"	80.974872
"1325415"	427.001629	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Cl+NaCOOH"	102.956829
"917569"	437.030386	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M-H+CF3COOH"	112.985586
"1292820"	473.007064	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Cl+CF3COOH"	148.962264
"1372440"	289.032124	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H-2H2O"	-35.012676
"1391031"	307.0421	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H-H2O"	-17.0027
"295091"	649.096876	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+H"	1.007276
"685326"	973.141676	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+H"	1.007276
"1364593"	325.052076	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H"	1.007276
"134566"	325.052076	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+2H"	2.014552
"575220"	487.074476	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+2H"	2.014552
"1044017"	163.029676	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2H"	2.014552
"210095"	217.037142666667	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+3H"	3.021828
"646372"	325.052076	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+3H"	3.021828
"1166689"	109.022209333333	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+3H"	3.021828
"426072"	666.123423	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+NH4"	18.033823
"787432"	990.168223	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+NH4"	18.033823
"1684009"	342.078623	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+NH4"	18.033823
"331435"	333.5653495	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+H+NH4"	19.041099
"724096"	495.5877495	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+H+NH4"	19.041099
"1480349"	171.5429495	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H+NH4"	19.041099
"396114"	671.078818	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+Na"	22.989218
"757841"	995.123618	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+Na"	22.989218
"1615788"	347.034018	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Na"	22.989218
"321451"	336.043047	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+H+Na"	23.996494
"720799"	498.065447	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+H+Na"	23.996494
"1473160"	174.020647	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H+Na"	23.996494
"1066772"	116.349523333333	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2H+Na"	25.00377
"1270271"	357.078286	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+CH3OH+H"	33.033486
"391035"	687.052758	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+K"	38.963158
"747654"	1011.097558	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+K"	38.963158
"1548614"	363.007958	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+K"	38.963158
"309073"	344.030017	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+H+K"	39.970434
"701493"	506.052417	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+H+K"	39.970434
"1454220"	182.007617	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H+K"	39.970434
"247198"	690.123426	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+ACN+H"	42.033826
"1222457"	366.078626	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+ACN+H"	42.033826
"1205612"	183.542951	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+ACN+2H"	43.041102
"202493"	693.06076	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+2Na-H"	44.97116
"638405"	1017.10556	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+2Na-H"	44.97116
"1143006"	369.01596	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2Na-H"	44.97116
"180828"	347.034018	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+2Na"	45.978436
"627931"	509.056418	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+2Na"	45.978436
"1130952"	185.011618	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2Na"	45.978436
"1413629"	123.676837333333	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H+2Na"	46.985712
"1445489"	371.057546	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H+HCOOH"	47.012746
"234582"	352.06704	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+3H2O+2H"	56.04448
"1523498"	385.10959	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+IsoProp+H"	61.06479
"420262"	355.020988	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+Na+K"	61.952376
"781261"	517.043388	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+Na+K"	61.952376
"1674310"	192.998588	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Na+K"	61.952376
"261922"	712.105368	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+ACN+Na"	64.015768
"1234631"	388.060568	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+ACN+Na"	64.015768
"1724611"	388.084093	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+NH4+HCOOH"	64.039293
"1184498"	131.004151333333	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+3Na"	68.967654
"1656577"	393.039488	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Na+HCOOH"	68.994688
"160155"	725.00864	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+2K-H"	76.91904
"605190"	1049.05344	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+2K-H"	76.91904
"1092982"	400.96384	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2K-H"	76.91904
"153818"	363.007958	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"2M+2K"	77.926316
"588268"	525.030358	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"3M+2K"	77.926316
"1076061"	200.985558	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2K"	77.926316
"1110366"	402.978392	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2K+H"	78.933592
"1348945"	403.066007	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+DMSO+H"	79.021207
"1019784"	407.105176	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2ACN+H"	83.060376
"1537058"	408.098808	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+IsoProp+Na+H"	84.054008
"999859"	204.056226	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+2ACN+2H"	84.067652
"1598736"	409.013428	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+K+HCOOH"	84.968628
"1429138"	439.044938	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+H+CF3COOH"	115.000138
"1160151"	224.569501	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+3ACN+2H"	125.094202
"1709702"	456.071485	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+NH4+CF3COOH"	132.026685
"1642071"	461.02688	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+Na+CF3COOH"	136.98208
"1575537"	477.00082	"C18573"	"Cyazofamid"	"C13H13ClN4O2S"	"324.0448"	"M+K+CF3COOH"	152.95602
"816603"	295.9714	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M"	0
"986003"	276.95301	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-H2O-H"	-19.01839
"77528"	196.306990666667	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M-3H"	-3.021828
"518526"	294.964124	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M-3H"	-3.021828
"894766"	97.6498573333333	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-3H"	-3.021828
"14553"	294.964124	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M-2H"	-2.014552
"446458"	442.949824	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M-2H"	-2.014552
"824261"	146.978424	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-2H"	-2.014552
"80971"	590.935524	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M-H"	-1.007276
"520898"	886.906924	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M-H"	-1.007276
"896146"	294.964124	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-H"	-1.007276
"55994"	607.962071	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M-2H+NH4"	16.019271
"496649"	903.933471	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M-2H+NH4"	16.019271
"872265"	311.990671	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-2H+NH4"	16.019271
"46371"	612.917466	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M-2H+Na"	20.974666
"484107"	908.888866	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M-2H+Na"	20.974666
"859720"	316.946066	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-2H+Na"	20.974666
"1633671"	316.946066	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Na-2H"	20.974666
"109313"	312.952463	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M-H+Cl"	33.962126
"549562"	460.938163	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M-H+Cl"	33.962126
"942427"	164.966763	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-H+Cl"	33.962126
"282567"	626.912202	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+Cl"	34.969402
"675192"	922.883602	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+Cl"	34.969402
"1287592"	330.940802	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Cl"	34.969402
"29175"	628.891406	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M-2H+K"	36.948606
"470559"	924.862806	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M-2H+K"	36.948606
"841070"	332.920006	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-2H+K"	36.948606
"1567837"	332.920006	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+K-2H"	36.948606
"956450"	340.969594	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-H+HCOOH"	44.998194
"375760"	636.941001	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+HCOOH-H"	44.998201
"360739"	650.956651	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+Hac-H"	59.013851
"1496810"	354.985251	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Hac-H"	59.013851
"963268"	362.951551	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-H+NaCOOH"	66.980151
"110470"	330.940802	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+2Cl"	69.938804
"553918"	478.926502	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+2Cl"	69.938804
"1023082"	182.955102	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2Cl"	69.938804
"1244848"	374.890285	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Br"	78.918885
"1316777"	376.946272	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Cl+HCOOH"	80.974872
"1330992"	398.928229	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Cl+NaCOOH"	102.956829
"923144"	408.956986	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M-H+CF3COOH"	112.985586
"1295479"	444.933664	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Cl+CF3COOH"	148.962264
"1368538"	260.958724	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H-2H2O"	-35.012676
"1391139"	278.9687	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H-H2O"	-17.0027
"295199"	592.950076	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+H"	1.007276
"685435"	888.921476	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+H"	1.007276
"1365795"	296.978676	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H"	1.007276
"135768"	296.978676	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+2H"	2.014552
"575328"	444.964376	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+2H"	2.014552
"1047406"	148.992976	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2H"	2.014552
"215306"	198.321542666667	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+3H"	3.021828
"646118"	296.978676	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+3H"	3.021828
"1169351"	99.6644093333334	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+3H"	3.021828
"428614"	609.976623	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+NH4"	18.033823
"786813"	905.948023	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+NH4"	18.033823
"1683026"	314.005223	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+NH4"	18.033823
"331300"	305.4919495	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+H+NH4"	19.041099
"722801"	453.4776495	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+H+NH4"	19.041099
"1478270"	157.5062495	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H+NH4"	19.041099
"393345"	614.932018	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+Na"	22.989218
"757951"	910.903418	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+Na"	22.989218
"1610429"	318.960618	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Na"	22.989218
"322651"	307.969647	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+H+Na"	23.996494
"712889"	455.955347	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+H+Na"	23.996494
"1465615"	159.983947	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H+Na"	23.996494
"1057764"	106.991723333333	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2H+Na"	25.00377
"1268194"	329.004886	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+CH3OH+H"	33.033486
"388955"	630.905958	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+K"	38.963158
"747762"	926.877358	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+K"	38.963158
"1546537"	334.934558	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+K"	38.963158
"304807"	315.956617	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+H+K"	39.970434
"701602"	463.942317	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+H+K"	39.970434
"1456516"	167.970917	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H+K"	39.970434
"248037"	633.976626	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+ACN+H"	42.033826
"1222568"	338.005226	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+ACN+H"	42.033826
"1208762"	169.506251	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+ACN+2H"	43.041102
"198956"	636.91396	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+2Na-H"	44.97116
"638516"	932.88536	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+2Na-H"	44.97116
"1143114"	340.94256	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2Na-H"	44.97116
"180936"	318.960618	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+2Na"	45.978436
"628123"	466.946318	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+2Na"	45.978436
"1129477"	170.974918	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2Na"	45.978436
"1413575"	114.319037333333	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H+2Na"	46.985712
"1444633"	342.984146	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H+HCOOH"	47.012746
"234449"	323.99364	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+3H2O+2H"	56.04448
"1522874"	357.03619	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+IsoProp+H"	61.06479
"420373"	326.947588	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+Na+K"	61.952376
"774079"	474.933288	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+Na+K"	61.952376
"1674419"	178.961888	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Na+K"	61.952376
"259845"	655.958568	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+ACN+Na"	64.015768
"1231459"	359.987168	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+ACN+Na"	64.015768
"1715240"	360.010693	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+NH4+HCOOH"	64.039293
"1183510"	121.646351333333	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+3Na"	68.967654
"1650608"	364.966088	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Na+HCOOH"	68.994688
"159172"	668.86184	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+2K-H"	76.91904
"612230"	964.83324	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+2K-H"	76.91904
"1091269"	372.89044	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2K-H"	76.91904
"154294"	334.934558	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"2M+2K"	77.926316
"590565"	482.920258	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"3M+2K"	77.926316
"1081274"	186.948858	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2K"	77.926316
"1110476"	374.904992	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2K+H"	78.933592
"1350275"	374.992607	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+DMSO+H"	79.021207
"1019771"	379.031776	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2ACN+H"	83.060376
"1538625"	380.025408	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+IsoProp+Na+H"	84.054008
"1002885"	190.019526	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+2ACN+2H"	84.067652
"1600669"	380.940028	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+K+HCOOH"	84.968628
"1429571"	410.971538	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+H+CF3COOH"	115.000138
"1158074"	210.532801	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+3ACN+2H"	125.094202
"1709812"	427.998085	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+NH4+CF3COOH"	132.026685
"1642181"	432.95348	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+Na+CF3COOH"	136.98208
"1575647"	448.92742	"C18574"	"Dithianon"	"C14H4N2O2S2"	"295.9714"	"M+K+CF3COOH"	152.95602
"815740"	130.0531	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M"	0
"986112"	111.03471	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-H2O-H"	-19.01839
"72169"	85.6947906666667	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M-3H"	-3.021828
"516102"	129.045824	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M-3H"	-3.021828
"890622"	42.3437573333333	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-3H"	-3.021828
"12476"	129.045824	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M-2H"	-2.014552
"444381"	194.072374	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M-2H"	-2.014552
"827651"	64.019274	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-2H"	-2.014552
"79015"	259.098924	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M-H"	-1.007276
"522829"	389.152024	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M-H"	-1.007276
"896742"	129.045824	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-H"	-1.007276
"48081"	276.125471	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M-2H+NH4"	16.019271
"492383"	406.178571	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M-2H+NH4"	16.019271
"866904"	146.072371	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-2H+NH4"	16.019271
"36995"	281.080866	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M-2H+Na"	20.974666
"475462"	411.133966	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M-2H+Na"	20.974666
"853261"	151.027766	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-2H+Na"	20.974666
"1634112"	151.027766	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Na-2H"	20.974666
"109060"	147.034163	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M-H+Cl"	33.962126
"549594"	212.060713	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M-H+Cl"	33.962126
"942496"	82.007613	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-H+Cl"	33.962126
"282511"	295.075602	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+Cl"	34.969402
"674324"	425.128702	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+Cl"	34.969402
"1285636"	165.022502	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Cl"	34.969402
"28191"	297.054806	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M-2H+K"	36.948606
"465566"	427.107906	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M-2H+K"	36.948606
"844460"	167.001706	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-2H+K"	36.948606
"1569770"	167.001706	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+K-2H"	36.948606
"956560"	175.051294	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-H+HCOOH"	44.998194
"376234"	305.104401	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+HCOOH-H"	44.998201
"360121"	319.120051	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+Hac-H"	59.013851
"1496919"	189.066951	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Hac-H"	59.013851
"963378"	197.033251	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-H+NaCOOH"	66.980151
"111918"	165.022502	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+2Cl"	69.938804
"552206"	230.049052	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+2Cl"	69.938804
"1023921"	99.995952	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2Cl"	69.938804
"1242774"	208.971985	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Br"	78.918885
"1319073"	211.027972	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Cl+HCOOH"	80.974872
"1328915"	233.009929	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Cl+NaCOOH"	102.956829
"921067"	243.038686	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M-H+CF3COOH"	112.985586
"1292673"	279.015364	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Cl+CF3COOH"	148.962264
"1368648"	95.040424	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H-2H2O"	-35.012676
"1390155"	113.0504	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H-H2O"	-17.0027
"295309"	261.113476	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+H"	1.007276
"688825"	391.166576	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+H"	1.007276
"1366147"	131.060376	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H"	1.007276
"136972"	131.060376	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+2H"	2.014552
"576533"	196.086926	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+2H"	2.014552
"1050796"	66.033826	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2H"	2.014552
"215418"	87.7093426666667	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+3H"	3.021828
"645865"	131.060376	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+3H"	3.021828
"1168731"	44.3583093333333	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+3H"	3.021828
"426536"	278.140023	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+NH4"	18.033823
"787896"	408.193123	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+NH4"	18.033823
"1683136"	148.086923	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+NH4"	18.033823
"331046"	139.5736495	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+H+NH4"	19.041099
"723219"	204.6001995	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+H+NH4"	19.041099
"1478139"	74.5470995	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H+NH4"	19.041099
"395603"	283.095418	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+Na"	22.989218
"758061"	413.148518	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+Na"	22.989218
"1612725"	153.042318	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Na"	22.989218
"318387"	142.051347	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+H+Na"	23.996494
"715185"	207.077897	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+H+Na"	23.996494
"1467911"	77.024797	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H+Na"	23.996494
"1056781"	51.6856233333333	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2H+Na"	25.00377
"1269396"	163.086586	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+CH3OH+H"	33.033486
"386879"	299.069358	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+K"	38.963158
"747872"	429.122458	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+K"	38.963158
"1546647"	169.016258	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+K"	38.963158
"309287"	150.038317	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+H+K"	39.970434
"703898"	215.064867	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+H+K"	39.970434
"1457719"	85.011767	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H+K"	39.970434
"249239"	302.140026	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+ACN+H"	42.033826
"1223771"	172.086926	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+ACN+H"	42.033826
"1209237"	86.547101	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+ACN+2H"	43.041102
"200160"	305.07736	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+2Na-H"	44.97116
"637533"	435.13046	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+2Na-H"	44.97116
"1142860"	175.02426	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2Na-H"	44.97116
"180318"	153.042318	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+2Na"	45.978436
"627544"	218.068868	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+2Na"	45.978436
"1130684"	88.015768	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2Na"	45.978436
"1412629"	59.0129373333333	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H+2Na"	46.985712
"1443043"	177.065846	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H+HCOOH"	47.012746
"234681"	158.07534	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+3H2O+2H"	56.04448
"1522984"	191.11789	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+IsoProp+H"	61.06479
"421576"	161.029288	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+Na+K"	61.952376
"774190"	226.055838	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+Na+K"	61.952376
"1671249"	96.002738	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Na+K"	61.952376
"256675"	324.121968	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+ACN+Na"	64.015768
"1229381"	194.068868	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+ACN+Na"	64.015768
"1714984"	194.092393	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+NH4+HCOOH"	64.039293
"1180705"	66.3402513333333	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+3Na"	68.967654
"1650593"	199.047788	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Na+HCOOH"	68.994688
"160375"	337.02524	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+2K-H"	76.91904
"612340"	467.07834	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+2K-H"	76.91904
"1090650"	206.97214	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2K-H"	76.91904
"154039"	169.016258	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"2M+2K"	77.926316
"595049"	234.042808	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"3M+2K"	77.926316
"1082845"	103.989708	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2K"	77.926316
"1109489"	208.986692	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2K+H"	78.933592
"1347338"	209.074307	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+DMSO+H"	79.021207
"1016961"	213.113476	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2ACN+H"	83.060376
"1536547"	214.107108	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+IsoProp+Na+H"	84.054008
"1002993"	107.060376	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+2ACN+2H"	84.067652
"1602479"	215.021728	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+K+HCOOH"	84.968628
"1428987"	245.053238	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+H+CF3COOH"	115.000138
"1160371"	127.573651	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+3ACN+2H"	125.094202
"1711624"	262.079785	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+NH4+CF3COOH"	132.026685
"1642291"	267.03518	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+Na+CF3COOH"	136.98208
"1575757"	283.00912	"C18575"	"Quinoxaline"	"C8H6N2"	"130.0531"	"M+K+CF3COOH"	152.95602
"815849"	302.0126	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M"	0
"986222"	282.99421	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-H2O-H"	-19.01839
"72279"	200.334457333333	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M-3H"	-3.021828
"512932"	301.005324	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M-3H"	-3.021828
"891825"	99.6635906666667	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-3H"	-3.021828
"12586"	301.005324	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M-2H"	-2.014552
"443398"	452.011624	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M-2H"	-2.014552
"824481"	149.999024	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-2H"	-2.014552
"79125"	603.017924	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M-H"	-1.007276
"521846"	905.030524	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M-H"	-1.007276
"896367"	301.005324	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-H"	-1.007276
"47529"	620.044471	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M-2H+NH4"	16.019271
"491400"	922.057071	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M-2H+NH4"	16.019271
"868107"	318.031871	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-2H+NH4"	16.019271
"33825"	624.999866	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M-2H+Na"	20.974666
"474478"	927.012466	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M-2H+Na"	20.974666
"853371"	322.987266	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-2H+Na"	20.974666
"1633121"	322.987266	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Na-2H"	20.974666
"108561"	318.993663	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M-H+Cl"	33.962126
"548729"	469.999963	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M-H+Cl"	33.962126
"942447"	167.987363	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-H+Cl"	33.962126
"282012"	638.994602	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+Cl"	34.969402
"672247"	941.007202	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+Cl"	34.969402
"1285746"	336.982002	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Cl"	34.969402
"26844"	640.973806	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M-2H+K"	36.948606
"466769"	942.986406	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M-2H+K"	36.948606
"842383"	338.961206	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-2H+K"	36.948606
"1568057"	338.961206	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+K-2H"	36.948606
"956670"	347.010794	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-H+HCOOH"	44.998194
"376304"	649.023401	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+HCOOH-H"	44.998201
"358770"	663.039051	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+Hac-H"	59.013851
"1497034"	361.026451	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Hac-H"	59.013851
"966768"	368.992751	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-H+NaCOOH"	66.980151
"112757"	336.982002	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+2Cl"	69.938804
"551950"	487.988302	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+2Cl"	69.938804
"1024030"	185.975702	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2Cl"	69.938804
"1252361"	380.931485	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Br"	78.918885
"1318819"	382.987472	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Cl+HCOOH"	80.974872
"1329025"	404.969429	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Cl+NaCOOH"	102.956829
"921177"	414.998186	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M-H+CF3COOH"	112.985586
"1292783"	450.974864	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Cl+CF3COOH"	148.962264
"1368758"	266.999924	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H-2H2O"	-35.012676
"1390265"	285.0099	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H-H2O"	-17.0027
"292139"	605.032476	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+H"	1.007276
"685655"	907.045076	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+H"	1.007276
"1365284"	303.019876	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H"	1.007276
"138903"	303.019876	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+2H"	2.014552
"579920"	454.026176	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+2H"	2.014552
"1048718"	152.013576	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2H"	2.014552
"216621"	202.349009333333	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+3H"	3.021828
"646703"	303.019876	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+3H"	3.021828
"1168841"	101.678142666667	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+3H"	3.021828
"427011"	622.059023	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+NH4"	18.033823
"786669"	924.071623	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+NH4"	18.033823
"1683610"	320.046423	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+NH4"	18.033823
"331155"	311.5331495	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+H+NH4"	19.041099
"722840"	462.5394495	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+H+NH4"	19.041099
"1477393"	160.5268495	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H+NH4"	19.041099
"395348"	627.014418	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+Na"	22.989218
"755979"	929.027018	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+Na"	22.989218
"1606273"	325.001818	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Na"	22.989218
"318497"	314.010847	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+H+Na"	23.996494
"710919"	465.017147	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+H+Na"	23.996494
"1463647"	163.004547	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H+Na"	23.996494
"1055798"	109.005456666667	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2H+Na"	25.00377
"1262944"	335.046086	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+CH3OH+H"	33.033486
"385893"	642.988358	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+K"	38.963158
"744702"	945.000958	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+K"	38.963158
"1544566"	340.975758	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+K"	38.963158
"307211"	321.997817	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+H+K"	39.970434
"704008"	473.004117	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+H+K"	39.970434
"1456735"	170.991517	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H+K"	39.970434
"246431"	646.059026	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+ACN+H"	42.033826
"1219141"	344.046426	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+ACN+H"	42.033826
"1207764"	172.526851	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+ACN+2H"	43.041102
"196988"	648.99636	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+2Na-H"	44.97116
"636547"	951.00896	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+2Na-H"	44.97116
"1141146"	346.98376	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2Na-H"	44.97116
"183343"	325.001818	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+2Na"	45.978436
"627290"	476.008118	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+2Na"	45.978436
"1130676"	173.995518	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2Na"	45.978436
"1413104"	116.332770666667	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H+2Na"	46.985712
"1444248"	349.025346	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H+HCOOH"	47.012746
"233942"	330.03484	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+3H2O+2H"	56.04448
"1522001"	363.07739	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+IsoProp+H"	61.06479
"422537"	332.988788	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+Na+K"	61.952376
"774664"	483.995088	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+Na+K"	61.952376
"1671723"	181.982488	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Na+K"	61.952376
"258971"	668.040968	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+ACN+Na"	64.015768
"1229491"	366.028368	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+ACN+Na"	64.015768
"1714365"	366.051893	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+NH4+HCOOH"	64.039293
"1181179"	123.660084666667	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+3Na"	68.967654
"1650460"	371.007288	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Na+HCOOH"	68.994688
"159392"	680.94424	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+2K-H"	76.91904
"607342"	982.95684	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+2K-H"	76.91904
"1090395"	378.93164	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2K-H"	76.91904
"153053"	340.975758	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"2M+2K"	77.926316
"594431"	491.982058	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"3M+2K"	77.926316
"1081497"	189.969458	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2K"	77.926316
"1108506"	380.946192	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2K+H"	78.933592
"1346719"	381.033807	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+DMSO+H"	79.021207
"1017071"	385.072976	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2ACN+H"	83.060376
"1536657"	386.066608	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+IsoProp+Na+H"	84.054008
"1002374"	193.040126	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+2ACN+2H"	84.067652
"1602105"	386.981228	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+K+HCOOH"	84.968628
"1428855"	417.012738	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+H+CF3COOH"	115.000138
"1160481"	213.553401	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+3ACN+2H"	125.094202
"1711734"	434.039285	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+NH4+CF3COOH"	132.026685
"1642401"	438.99468	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+Na+CF3COOH"	136.98208
"1575867"	454.96862	"C18576"	"Clofentezine"	"C14H8Cl2N4"	"302.0126"	"M+K+CF3COOH"	152.95602
"816769"	184.1	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M"	0
"987425"	165.08161	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-H2O-H"	-19.01839
"73482"	121.726057333333	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M-3H"	-3.021828
"515228"	183.092724	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M-3H"	-3.021828
"894122"	60.3593906666667	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-3H"	-3.021828
"11603"	183.092724	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M-2H"	-2.014552
"443508"	275.142724	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M-2H"	-2.014552
"821676"	91.042724	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-2H"	-2.014552
"83489"	367.192724	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M-H"	-1.007276
"524143"	551.292724	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M-H"	-1.007276
"896599"	183.092724	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-H"	-1.007276
"47364"	384.219271	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M-2H+NH4"	16.019271
"492603"	568.319271	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M-2H+NH4"	16.019271
"868217"	200.119271	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-2H+NH4"	16.019271
"40495"	389.174666	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M-2H+Na"	20.974666
"475680"	573.274666	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M-2H+Na"	20.974666
"850201"	205.074666	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-2H+Na"	20.974666
"1632989"	205.074666	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Na-2H"	20.974666
"109648"	201.081063	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M-H+Cl"	33.962126
"548720"	293.131063	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M-H+Cl"	33.962126
"942113"	109.031063	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-H+Cl"	33.962126
"282126"	403.169402	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+Cl"	34.969402
"672357"	587.269402	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+Cl"	34.969402
"1286708"	219.069402	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Cl"	34.969402
"29504"	405.148606	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M-2H+K"	36.948606
"469067"	589.248606	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M-2H+K"	36.948606
"844680"	221.048606	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-2H+K"	36.948606
"1567074"	221.048606	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+K-2H"	36.948606
"956415"	229.098194	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-H+HCOOH"	44.998194
"376698"	413.198201	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+HCOOH-H"	44.998201
"357786"	427.213851	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+Hac-H"	59.013851
"1498236"	243.113851	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Hac-H"	59.013851
"960310"	251.080151	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-H+NaCOOH"	66.980151
"111407"	219.069402	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+2Cl"	69.938804
"552060"	311.119402	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+2Cl"	69.938804
"1022316"	127.019402	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2Cl"	69.938804
"1249191"	263.018885	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Br"	78.918885
"1306169"	265.074872	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Cl+HCOOH"	80.974872
"1325854"	287.056829	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Cl+NaCOOH"	102.956829
"919100"	297.085586	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M-H+CF3COOH"	112.985586
"1301275"	333.062264	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Cl+CF3COOH"	148.962264
"1371784"	149.087324	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H-2H2O"	-35.012676
"1391466"	167.0973	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H-H2O"	-17.0027
"286781"	369.207276	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+H"	1.007276
"685765"	553.307276	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+H"	1.007276
"1364300"	185.107276	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H"	1.007276
"140714"	185.107276	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+2H"	2.014552
"577846"	277.157276	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+2H"	2.014552
"1048828"	93.057276	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2H"	2.014552
"214544"	123.740609333333	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+3H"	3.021828
"648637"	185.107276	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+3H"	3.021828
"1167859"	62.3739426666667	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+3H"	3.021828
"427849"	386.233823	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+NH4"	18.033823
"788843"	570.333823	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+NH4"	18.033823
"1684446"	202.133823	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+NH4"	18.033823
"331993"	193.6205495	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+H+NH4"	19.041099
"725510"	285.6705495	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+H+NH4"	19.041099
"1478601"	101.5705495	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H+NH4"	19.041099
"394731"	391.189218	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+Na"	22.989218
"755362"	575.289218	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+Na"	22.989218
"1610758"	207.089218	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Na"	22.989218
"319701"	196.098247	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+H+Na"	23.996494
"712123"	288.148247	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+H+Na"	23.996494
"1465944"	104.048247	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H+Na"	23.996494
"1057001"	69.7012566666667	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2H+Na"	25.00377
"1263054"	217.133486	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+CH3OH+H"	33.033486
"389284"	407.163158	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+K"	38.963158
"748093"	591.263158	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+K"	38.963158
"1544676"	223.063158	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+K"	38.963158
"308414"	204.085217	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+H+K"	39.970434
"703023"	296.135217	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+H+K"	39.970434
"1458668"	112.035217	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H+K"	39.970434
"247998"	410.233826	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+ACN+H"	42.033826
"1221072"	226.133826	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+ACN+H"	42.033826
"1204225"	113.570551	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+ACN+2H"	43.041102
"199283"	413.17116	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+2Na-H"	44.97116
"639574"	597.27116	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+2Na-H"	44.97116
"1142350"	229.07116	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2Na-H"	44.97116
"183453"	207.089218	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+2Na"	45.978436
"628010"	299.139218	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+2Na"	45.978436
"1130421"	115.039218	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2Na"	45.978436
"1413459"	77.0285706666667	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H+2Na"	46.985712
"1444846"	231.112746	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H+HCOOH"	47.012746
"234906"	212.12224	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+3H2O+2H"	56.04448
"1521747"	245.16479	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+IsoProp+H"	61.06479
"422892"	215.076188	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+Na+K"	61.952376
"782790"	307.126188	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+Na+K"	61.952376
"1678755"	123.026188	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Na+K"	61.952376
"260173"	432.215768	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+ACN+Na"	64.015768
"1228507"	248.115768	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+ACN+Na"	64.015768
"1717392"	248.139293	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+NH4+HCOOH"	64.039293
"1180561"	84.3558846666667	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+3Na"	68.967654
"1650286"	253.094688	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Na+HCOOH"	68.994688
"159503"	445.11904	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+2K-H"	76.91904
"607452"	629.21904	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+2K-H"	76.91904
"1090505"	261.01904	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2K-H"	76.91904
"154619"	223.063158	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"2M+2K"	77.926316
"594541"	315.113158	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"3M+2K"	77.926316
"1076501"	131.013158	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2K"	77.926316
"1109710"	263.033592	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2K+H"	78.933592
"1348651"	263.121207	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+DMSO+H"	79.021207
"1011347"	267.160376	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2ACN+H"	83.060376
"1536037"	268.154008	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+IsoProp+Na+H"	84.054008
"1002484"	134.083826	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+2ACN+2H"	84.067652
"1600268"	269.068628	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+K+HCOOH"	84.968628
"1425927"	299.100138	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+H+CF3COOH"	115.000138
"1160953"	154.597101	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+3ACN+2H"	125.094202
"1704673"	316.126685	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+NH4+CF3COOH"	132.026685
"1639231"	321.08208	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+Na+CF3COOH"	136.98208
"1575977"	337.05602	"C18577"	"Diquat"	"C12H12N2"	"184.1"	"M+K+CF3COOH"	152.95602
"816555"	463.9514	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M"	0
"987535"	444.93301	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-H2O-H"	-19.01839
"72499"	308.293657333333	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M-3H"	-3.021828
"514245"	462.944124	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M-3H"	-3.021828
"891682"	153.643190666667	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-3H"	-3.021828
"12079"	462.944124	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M-2H"	-2.014552
"446899"	694.919824	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M-2H"	-2.014552
"821787"	230.968424	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-2H"	-2.014552
"83600"	926.895524	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M-H"	-1.007276
"523524"	1390.846924	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M-H"	-1.007276
"896587"	462.944124	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-H"	-1.007276
"48410"	943.922071	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M-2H+NH4"	16.019271
"487848"	1407.873471	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M-2H+NH4"	16.019271
"867234"	479.970671	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-2H+NH4"	16.019271
"40605"	948.877466	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M-2H+Na"	20.974666
"476883"	1412.828866	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M-2H+Na"	20.974666
"850311"	484.926066	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-2H+Na"	20.974666
"1633584"	484.926066	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Na-2H"	20.974666
"108179"	480.932463	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M-H+Cl"	33.962126
"549314"	712.908163	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M-H+Cl"	33.962126
"942583"	248.956763	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-H+Cl"	33.962126
"280893"	962.872202	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+Cl"	34.969402
"672467"	1426.823602	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+Cl"	34.969402
"1282684"	498.920802	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Cl"	34.969402
"21958"	964.851406	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M-2H+K"	36.948606
"463707"	1428.802806	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M-2H+K"	36.948606
"838228"	500.900006	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-2H+K"	36.948606
"1562809"	500.900006	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+K-2H"	36.948606
"952879"	508.949594	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-H+HCOOH"	44.998194
"371094"	972.901001	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+HCOOH-H"	44.998201
"357163"	986.916651	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+Hac-H"	59.013851
"1497252"	522.965251	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Hac-H"	59.013851
"959076"	530.931551	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-H+NaCOOH"	66.980151
"110216"	498.920802	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+2Cl"	69.938804
"550217"	730.896502	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+2Cl"	69.938804
"1021450"	266.945102	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2Cl"	69.938804
"1246019"	542.870285	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Br"	78.918885
"1304699"	544.926272	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Cl+HCOOH"	80.974872
"1319912"	566.908229	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Cl+NaCOOH"	102.956829
"914834"	576.936986	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M-H+CF3COOH"	112.985586
"1299197"	612.913664	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Cl+CF3COOH"	148.962264
"1377359"	428.938724	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H-2H2O"	-35.012676
"1391575"	446.9487	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H-H2O"	-17.0027
"285797"	928.910076	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+H"	1.007276
"682594"	1392.861476	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+H"	1.007276
"1361130"	464.958676	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H"	1.007276
"132926"	464.958676	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+2H"	2.014552
"577954"	696.934376	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+2H"	2.014552
"1041284"	232.982976	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2H"	2.014552
"211371"	310.308209333333	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+3H"	3.021828
"646560"	464.958676	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+3H"	3.021828
"1168698"	155.657742666667	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+3H"	3.021828
"427596"	945.936623	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+NH4"	18.033823
"788590"	1409.888023	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+NH4"	18.033823
"1683463"	481.985223	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+NH4"	18.033823
"331497"	473.4719495	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+H+NH4"	19.041099
"725256"	705.4476495	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+H+NH4"	19.041099
"1477739"	241.4962495	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H+NH4"	19.041099
"395207"	950.892018	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+Na"	22.989218
"755836"	1414.843418	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+Na"	22.989218
"1610870"	486.940618	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Na"	22.989218
"319811"	475.949647	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+H+Na"	23.996494
"712233"	707.925347	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+H+Na"	23.996494
"1469334"	243.973947	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H+Na"	23.996494
"1056018"	162.985056666667	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2H+Na"	25.00377
"1263164"	496.984886	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+CH3OH+H"	33.033486
"389030"	966.865958	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+K"	38.963158
"748203"	1430.817358	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+K"	38.963158
"1548068"	502.914558	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+K"	38.963158
"308524"	483.936617	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+H+K"	39.970434
"702040"	715.912317	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+H+K"	39.970434
"1458778"	251.960917	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H+K"	39.970434
"248108"	969.936626	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+ACN+H"	42.033826
"1221182"	505.985226	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+ACN+H"	42.033826
"1205065"	253.496251	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+ACN+2H"	43.041102
"200123"	972.87396	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+2Na-H"	44.97116
"640047"	1436.82536	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+2Na-H"	44.97116
"1143553"	508.92256	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2Na-H"	44.97116
"185386"	486.940618	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+2Na"	45.978436
"627879"	718.916318	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+2Na"	45.978436
"1130773"	254.964918	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2Na"	45.978436
"1413204"	170.312370666667	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H+2Na"	46.985712
"1444224"	510.964146	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H+HCOOH"	47.012746
"234040"	491.97364	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+3H2O+2H"	56.04448
"1520035"	525.01619	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+IsoProp+H"	61.06479
"423126"	494.927588	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+Na+K"	61.952376
"779620"	726.903288	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+Na+K"	61.952376
"1677772"	262.951888	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Na+K"	61.952376
"259190"	991.918568	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+ACN+Na"	64.015768
"1231897"	527.967168	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+ACN+Na"	64.015768
"1717503"	527.990693	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+NH4+HCOOH"	64.039293
"1183951"	177.639684666667	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+3Na"	68.967654
"1650516"	532.946088	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Na+HCOOH"	68.994688
"159613"	1004.82184	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+2K-H"	76.91904
"606833"	1468.77324	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+2K-H"	76.91904
"1089521"	540.87044	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2K-H"	76.91904
"148165"	502.914558	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"2M+2K"	77.926316
"591734"	734.890258	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"3M+2K"	77.926316
"1075516"	270.938858	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2K"	77.926316
"1108726"	542.884992	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2K+H"	78.933592
"1345845"	542.972607	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+DMSO+H"	79.021207
"1008298"	547.011776	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2ACN+H"	83.060376
"1531773"	548.005408	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+IsoProp+Na+H"	84.054008
"1000408"	274.009526	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+2ACN+2H"	84.067652
"1596004"	548.920028	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+K+HCOOH"	84.968628
"1424943"	578.951538	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+H+CF3COOH"	115.000138
"1156324"	294.522801	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+3ACN+2H"	125.094202
"1700410"	595.978085	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+NH4+CF3COOH"	132.026685
"1634602"	600.93348	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+Na+CF3COOH"	136.98208
"1576087"	616.90742	"C18578"	"Fluazinam"	"C13H4Cl2F6N4O4"	"463.9514"	"M+K+CF3COOH"	152.95602
"815935"	254.1531	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M"	0
"984365"	235.13471	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-H2O-H"	-19.01839
"72609"	168.428124	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M-3H"	-3.021828
"515448"	253.145824	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M-3H"	-3.021828
"888876"	83.710424	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-3H"	-3.021828
"9637"	253.145824	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M-2H"	-2.014552
"445916"	380.222374	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M-2H"	-2.014552
"821897"	126.069274	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-2H"	-2.014552
"83710"	507.298924	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M-H"	-1.007276
"522541"	761.452024	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M-H"	-1.007276
"896818"	253.145824	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-H"	-1.007276
"48399"	524.325471	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M-2H+NH4"	16.019271
"488567"	778.478571	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M-2H+NH4"	16.019271
"867344"	270.172371	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-2H+NH4"	16.019271
"41808"	529.280866	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M-2H+Na"	20.974666
"476993"	783.433966	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M-2H+Na"	20.974666
"850785"	275.127766	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-2H+Na"	20.974666
"1633775"	275.127766	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Na-2H"	20.974666
"109669"	271.134163	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M-H+Cl"	33.962126
"549632"	398.210713	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M-H+Cl"	33.962126
"942738"	144.057613	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-H+Cl"	33.962126
"281124"	543.275602	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+Cl"	34.969402
"672577"	797.428702	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+Cl"	34.969402
"1282794"	289.122502	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Cl"	34.969402
"22068"	545.254806	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M-2H+K"	36.948606
"463817"	799.407906	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M-2H+K"	36.948606
"838338"	291.101706	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-2H+K"	36.948606
"1567292"	291.101706	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+K-2H"	36.948606
"952988"	299.151294	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-H+HCOOH"	44.998194
"373389"	553.304401	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+HCOOH-H"	44.998201
"356180"	567.320051	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+Hac-H"	59.013851
"1494203"	313.166951	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Hac-H"	59.013851
"960531"	321.133251	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-H+NaCOOH"	66.980151
"110278"	289.122502	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+2Cl"	69.938804
"550366"	416.199052	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+2Cl"	69.938804
"1021919"	162.045952	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2Cl"	69.938804
"1246129"	333.071985	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Br"	78.918885
"1304848"	335.127972	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Cl+HCOOH"	80.974872
"1320238"	357.109929	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Cl+NaCOOH"	102.956829
"912757"	367.138686	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M-H+CF3COOH"	112.985586
"1296027"	403.115364	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Cl+CF3COOH"	148.962264
"1372002"	219.140424	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H-2H2O"	-35.012676
"1390592"	237.1504	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H-H2O"	-17.0027
"285907"	509.313476	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+H"	1.007276
"681611"	763.466576	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+H"	1.007276
"1355773"	255.160376	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H"	1.007276
"133036"	255.160376	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+2H"	2.014552
"576970"	382.236926	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+2H"	2.014552
"1041394"	128.083826	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2H"	2.014552
"209294"	170.442676	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+3H"	3.021828
"644603"	255.160376	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+3H"	3.021828
"1170995"	85.724976	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+3H"	3.021828
"429529"	526.340023	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+NH4"	18.033823
"787607"	780.493123	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+NH4"	18.033823
"1683572"	272.186923	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+NH4"	18.033823
"332215"	263.6736495	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+H+NH4"	19.041099
"725367"	390.7501995	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+H+NH4"	19.041099
"1478093"	136.5970995	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H+NH4"	19.041099
"395683"	531.295418	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+Na"	22.989218
"754973"	785.448518	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+Na"	22.989218
"1612073"	277.142318	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Na"	22.989218
"324295"	266.151347	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+H+Na"	23.996494
"712343"	393.227897	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+H+Na"	23.996494
"1466163"	139.074797	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H+Na"	23.996494
"1056128"	93.05229	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2H+Na"	25.00377
"1262181"	287.186586	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+CH3OH+H"	33.033486
"385130"	547.269358	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+K"	38.963158
"748313"	801.422458	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+K"	38.963158
"1547085"	293.116258	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+K"	38.963158
"306448"	274.138317	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+H+K"	39.970434
"702150"	401.214867	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+H+K"	39.970434
"1459619"	147.061767	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H+K"	39.970434
"247853"	550.340026	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+ACN+H"	42.033826
"1219470"	296.186926	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+ACN+H"	42.033826
"1205539"	148.597101	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+ACN+2H"	43.041102
"200233"	553.27736	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+2Na-H"	44.97116
"640159"	807.43046	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+2Na-H"	44.97116
"1144028"	299.12426	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2Na-H"	44.97116
"184767"	277.142318	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+2Na"	45.978436
"627992"	404.218868	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+2Na"	45.978436
"1131252"	150.065768	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2Na"	45.978436
"1413437"	100.379604	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H+2Na"	46.985712
"1443846"	301.165846	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H+HCOOH"	47.012746
"232812"	282.17534	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+3H2O+2H"	56.04448
"1520874"	315.21789	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+IsoProp+H"	61.06479
"423111"	285.129288	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+Na+K"	61.952376
"780459"	412.205838	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+Na+K"	61.952376
"1677882"	158.052738	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Na+K"	61.952376
"258207"	572.321968	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+ACN+Na"	64.015768
"1229820"	318.168868	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+ACN+Na"	64.015768
"1716519"	318.192393	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+NH4+HCOOH"	64.039293
"1180781"	107.706918	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+3Na"	68.967654
"1650791"	323.147788	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Na+HCOOH"	68.994688
"159723"	585.22524	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+2K-H"	76.91904
"606943"	839.37834	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+2K-H"	76.91904
"1090360"	331.07214	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2K-H"	76.91904
"147181"	293.116258	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"2M+2K"	77.926316
"591114"	420.192808	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"3M+2K"	77.926316
"1075626"	166.039708	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2K"	77.926316
"1108836"	333.086692	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2K+H"	78.933592
"1345591"	333.174307	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+DMSO+H"	79.021207
"1008287"	337.213476	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2ACN+H"	83.060376
"1534067"	338.207108	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+IsoProp+Na+H"	84.054008
"1002340"	169.110376	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+2ACN+2H"	84.067652
"1596114"	339.121728	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+K+HCOOH"	84.968628
"1425053"	369.153238	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+H+CF3COOH"	115.000138
"1156434"	189.623651	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+3ACN+2H"	125.094202
"1700520"	386.179785	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+NH4+CF3COOH"	132.026685
"1634388"	391.13518	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+Na+CF3COOH"	136.98208
"1575104"	407.10912	"C18579"	"Ferimzone;(Z)-Ferimzone"	"C15H18N4"	"254.1531"	"M+K+CF3COOH"	152.95602
"816925"	492.9954	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M"	0
"989676"	473.97701	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-H2O-H"	-19.01839
"77093"	327.656324	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M-3H"	-3.021828
"517746"	491.988124	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M-3H"	-3.021828
"894090"	163.324524	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-3H"	-3.021828
"14122"	491.988124	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M-2H"	-2.014552
"451130"	738.485824	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M-2H"	-2.014552
"823830"	245.490424	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-2H"	-2.014552
"85278"	984.983524	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M-H"	-1.007276
"522651"	1477.978924	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M-H"	-1.007276
"897173"	491.988124	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-H"	-1.007276
"48632"	1002.010071	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M-2H+NH4"	16.019271
"488193"	1495.005471	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M-2H+NH4"	16.019271
"865631"	509.014671	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-2H+NH4"	16.019271
"39731"	1006.965466	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M-2H+Na"	20.974666
"476009"	1499.960866	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M-2H+Na"	20.974666
"850531"	513.970066	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-2H+Na"	20.974666
"1634127"	513.970066	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Na-2H"	20.974666
"109365"	509.976463	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M-H+Cl"	33.962126
"549864"	756.474163	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M-H+Cl"	33.962126
"942727"	263.478763	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-H+Cl"	33.962126
"282575"	1020.960202	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+Cl"	34.969402
"674998"	1513.955602	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+Cl"	34.969402
"1286184"	527.964802	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Cl"	34.969402
"29835"	1022.939406	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M-2H+K"	36.948606
"467208"	1515.934806	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M-2H+K"	36.948606
"843915"	529.944006	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-2H+K"	36.948606
"1568496"	529.944006	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+K-2H"	36.948606
"955286"	537.993594	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-H+HCOOH"	44.998194
"372408"	1030.989001	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+HCOOH-H"	44.998201
"355198"	1045.004651	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+Hac-H"	59.013851
"1506581"	552.009251	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Hac-H"	59.013851
"958936"	559.975551	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-H+NaCOOH"	66.980151
"116111"	527.964802	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+2Cl"	69.938804
"552391"	774.462502	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+2Cl"	69.938804
"1021545"	281.467102	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2Cl"	69.938804
"1257002"	571.914285	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Br"	78.918885
"1319584"	573.970272	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Cl+HCOOH"	80.974872
"1328373"	595.952229	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Cl+NaCOOH"	102.956829
"916150"	605.980986	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M-H+CF3COOH"	112.985586
"1296138"	641.957664	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Cl+CF3COOH"	148.962264
"1369561"	457.982724	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H-2H2O"	-35.012676
"1386694"	475.9927	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H-H2O"	-17.0027
"286745"	986.998076	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+H"	1.007276
"682814"	1479.993476	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+H"	1.007276
"1355883"	494.002676	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H"	1.007276
"138613"	494.002676	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+2H"	2.014552
"579266"	740.500376	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+2H"	2.014552
"1046973"	247.504976	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2H"	2.014552
"211592"	329.670876	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+3H"	3.021828
"649334"	494.002676	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+3H"	3.021828
"1168553"	165.339076	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+3H"	3.021828
"428910"	1004.024623	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+NH4"	18.033823
"788445"	1497.020023	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+NH4"	18.033823
"1682590"	511.029223	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+NH4"	18.033823
"331960"	502.5159495	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+H+NH4"	19.041099
"725112"	749.0136495	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+H+NH4"	19.041099
"1480387"	256.0182495	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H+NH4"	19.041099
"393479"	1008.980018	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+Na"	22.989218
"754963"	1501.975418	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+Na"	22.989218
"1603103"	515.984618	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Na"	22.989218
"318937"	504.993647	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+H+Na"	23.996494
"712453"	751.491347	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+H+Na"	23.996494
"1468461"	258.495947	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H+Na"	23.996494
"1056238"	172.66639	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2H+Na"	25.00377
"1262291"	526.028886	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+CH3OH+H"	33.033486
"383053"	1024.953958	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+K"	38.963158
"747330"	1517.949358	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+K"	38.963158
"1545008"	531.958558	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+K"	38.963158
"306558"	512.980617	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+H+K"	39.970434
"698980"	759.478317	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+H+K"	39.970434
"1460580"	266.482917	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H+K"	39.970434
"247599"	1028.024626	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+ACN+H"	42.033826
"1221403"	535.029226	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+ACN+H"	42.033826
"1205286"	268.018251	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+ACN+2H"	43.041102
"201437"	1030.96196	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+2Na-H"	44.97116
"640267"	1523.95736	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+2Na-H"	44.97116
"1139398"	537.96656	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2Na-H"	44.97116
"178679"	515.984618	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+2Na"	45.978436
"628309"	762.482318	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+2Na"	45.978436
"1131232"	269.486918	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2Na"	45.978436
"1414078"	179.993704	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H+2Na"	46.985712
"1444684"	540.008146	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H+HCOOH"	47.012746
"235624"	521.01764	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+3H2O+2H"	56.04448
"1522077"	554.06019	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+IsoProp+H"	61.06479
"423831"	523.971588	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+Na+K"	61.952376
"781663"	770.469288	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+Na+K"	61.952376
"1675075"	277.473888	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Na+K"	61.952376
"261597"	1050.006568	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+ACN+Na"	64.015768
"1229930"	557.011168	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+ACN+Na"	64.015768
"1718815"	557.034693	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+NH4+HCOOH"	64.039293
"1181984"	187.321018	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+3Na"	68.967654
"1651995"	561.990088	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Na+HCOOH"	68.994688
"163113"	1062.90984	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+2K-H"	76.91904
"608512"	1555.90524	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+2K-H"	76.91904
"1093751"	569.91444	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2K-H"	76.91904
"148384"	531.958558	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"2M+2K"	77.926316
"591224"	778.456258	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"3M+2K"	77.926316
"1076830"	285.460858	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2K"	77.926316
"1108946"	571.928992	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2K+H"	78.933592
"1345701"	572.016607	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+DMSO+H"	79.021207
"1011677"	576.055776	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2ACN+H"	83.060376
"1534177"	577.049408	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+IsoProp+Na+H"	84.054008
"1003543"	288.531526	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+2ACN+2H"	84.067652
"1600234"	577.964028	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+K+HCOOH"	84.968628
"1426257"	607.995538	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+H+CF3COOH"	115.000138
"1156544"	309.044801	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+3ACN+2H"	125.094202
"1702816"	625.022085	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+NH4+CF3COOH"	132.026685
"1635551"	629.97748	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+Na+CF3COOH"	136.98208
"1575214"	645.95142	"C18580"	"Pyriprole"	"C18H10Cl2F5N5S"	"492.9954"	"M+K+CF3COOH"	152.95602
"815425"	464.9576	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M"	0
"988595"	445.93921	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-H2O-H"	-19.01839
"76108"	308.964457333333	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M-3H"	-3.021828
"510202"	463.950324	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M-3H"	-3.021828
"891283"	153.978590666667	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-3H"	-3.021828
"10951"	463.950324	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M-2H"	-2.014552
"448324"	696.429124	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M-2H"	-2.014552
"825032"	231.471524	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-2H"	-2.014552
"82837"	928.907924	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M-H"	-1.007276
"518584"	1393.865524	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M-H"	-1.007276
"895941"	463.950324	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-H"	-1.007276
"47646"	945.934471	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M-2H+NH4"	16.019271
"487817"	1410.892071	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M-2H+NH4"	16.019271
"868657"	480.976871	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-2H+NH4"	16.019271
"37653"	950.889866	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M-2H+Na"	20.974666
"476119"	1415.847466	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M-2H+Na"	20.974666
"849548"	485.932266	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-2H+Na"	20.974666
"1620174"	485.932266	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Na-2H"	20.974666
"108381"	481.938663	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M-H+Cl"	33.962126
"549646"	714.417463	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M-H+Cl"	33.962126
"941819"	249.459863	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-H+Cl"	33.962126
"281346"	964.884602	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+Cl"	34.969402
"668424"	1429.842202	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+Cl"	34.969402
"1284108"	499.927002	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Cl"	34.969402
"29945"	966.863806	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M-2H+K"	36.948606
"466954"	1431.821406	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M-2H+K"	36.948606
"845119"	501.906206	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-2H+K"	36.948606
"1566419"	501.906206	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+K-2H"	36.948606
"954303"	509.955794	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-H+HCOOH"	44.998194
"375432"	974.913401	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+HCOOH-H"	44.998201
"357495"	988.929051	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+Hac-H"	59.013851
"1506327"	523.971451	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Hac-H"	59.013851
"958527"	531.937751	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-H+NaCOOH"	66.980151
"116221"	499.927002	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+2Cl"	69.938804
"553593"	732.405802	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+2Cl"	69.938804
"1021347"	267.448202	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2Cl"	69.938804
"1255465"	543.876485	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Br"	78.918885
"1319006"	545.932472	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Cl+HCOOH"	80.974872
"1328483"	567.914429	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Cl+NaCOOH"	102.956829
"915167"	577.943186	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M-H+CF3COOH"	112.985586
"1295155"	613.919864	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Cl+CF3COOH"	148.962264
"1370036"	429.944924	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H-2H2O"	-35.012676
"1385347"	447.9549	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H-H2O"	-17.0027
"283574"	930.922476	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+H"	1.007276
"680737"	1395.880076	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+H"	1.007276
"1355993"	465.964876	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H"	1.007276
"135443"	465.964876	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+2H"	2.014552
"576097"	698.443676	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+2H"	2.014552
"1041616"	233.486076	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2H"	2.014552
"208422"	310.979009333333	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+3H"	3.021828
"649080"	465.964876	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+3H"	3.021828
"1165746"	155.993142666667	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+3H"	3.021828
"430479"	947.949023	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+NH4"	18.033823
"786369"	1412.906623	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+NH4"	18.033823
"1683067"	482.991423	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+NH4"	18.033823
"331706"	474.4781495	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+H+NH4"	19.041099
"724855"	706.9569495	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+H+NH4"	19.041099
"1480133"	241.9993495	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H+NH4"	19.041099
"392874"	952.904418	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+Na"	22.989218
"754622"	1417.862018	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+Na"	22.989218
"1603783"	487.946818	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Na"	22.989218
"319047"	476.955847	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+H+Na"	23.996494
"712563"	709.434647	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+H+Na"	23.996494
"1468571"	244.477047	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H+Na"	23.996494
"1056348"	163.320456666667	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2H+Na"	25.00377
"1263494"	497.991086	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+CH3OH+H"	33.033486
"383163"	968.878358	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+K"	38.963158
"747440"	1433.835958	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+K"	38.963158
"1546211"	503.920758	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+K"	38.963158
"306668"	484.942817	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+H+K"	39.970434
"699090"	717.421617	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+H+K"	39.970434
"1460568"	252.464017	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H+K"	39.970434
"247345"	971.949026	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+ACN+H"	42.033826
"1221513"	506.991426	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+ACN+H"	42.033826
"1205032"	253.999351	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+ACN+2H"	43.041102
"199724"	974.88636	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+2Na-H"	44.97116
"640745"	1439.84396	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+2Na-H"	44.97116
"1140602"	509.92876	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2Na-H"	44.97116
"185351"	487.946818	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+2Na"	45.978436
"628469"	720.425618	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+2Na"	45.978436
"1131303"	255.468018	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2Na"	45.978436
"1414131"	170.647770666667	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H+2Na"	46.985712
"1443337"	511.970346	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H+HCOOH"	47.012746
"235668"	492.97984	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+3H2O+2H"	56.04448
"1522916"	526.02239	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+IsoProp+H"	61.06479
"422968"	495.933788	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+Na+K"	61.952376
"781773"	728.412588	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+Na+K"	61.952376
"1675185"	263.454988	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Na+K"	61.952376
"260614"	993.930968	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+ACN+Na"	64.015768
"1228947"	528.973368	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+ACN+Na"	64.015768
"1715646"	528.996893	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+NH4+HCOOH"	64.039293
"1182094"	177.975084666667	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+3Na"	68.967654
"1650769"	533.952288	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Na+HCOOH"	68.994688
"162130"	1006.83424	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+2K-H"	76.91904
"604976"	1471.79184	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+2K-H"	76.91904
"1092768"	541.87664	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2K-H"	76.91904
"145214"	503.920758	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"2M+2K"	77.926316
"589147"	736.399558	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"3M+2K"	77.926316
"1078033"	271.441958	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2K"	77.926316
"1111243"	543.891192	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2K+H"	78.933592
"1347998"	543.978807	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+DMSO+H"	79.021207
"1013974"	548.017976	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2ACN+H"	83.060376
"1533194"	549.011608	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+IsoProp+Na+H"	84.054008
"1002560"	274.512626	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+2ACN+2H"	84.067652
"1602289"	549.926228	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+K+HCOOH"	84.968628
"1427460"	579.957738	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+H+CF3COOH"	115.000138
"1158841"	295.025901	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+3ACN+2H"	125.094202
"1702926"	596.984285	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+NH4+CF3COOH"	132.026685
"1635661"	601.93968	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+Na+CF3COOH"	136.98208
"1575324"	617.91362	"C18581"	"Amisulbrom"	"C13H13BrFN5O4S2"	"464.9576"	"M+K+CF3COOH"	152.95602
"816548"	295.1532	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M"	0
"987976"	276.13481	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-H2O-H"	-19.01839
"76218"	195.761524	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M-3H"	-3.021828
"511405"	294.145924	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M-3H"	-3.021828
"894187"	97.377124	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-3H"	-3.021828
"8874"	294.145924	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M-2H"	-2.014552
"449527"	441.722524	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M-2H"	-2.014552
"826236"	146.569324	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-2H"	-2.014552
"88414"	589.299124	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M-H"	-1.007276
"518974"	884.452324	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M-H"	-1.007276
"897028"	294.145924	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-H"	-1.007276
"47745"	606.325671	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M-2H+NH4"	16.019271
"488778"	901.478871	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M-2H+NH4"	16.019271
"869860"	311.172471	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-2H+NH4"	16.019271
"41042"	611.281066	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M-2H+Na"	20.974666
"477322"	906.434266	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M-2H+Na"	20.974666
"850749"	316.127866	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-2H+Na"	20.974666
"1619189"	316.127866	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Na-2H"	20.974666
"107394"	312.134263	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M-H+Cl"	33.962126
"549026"	459.710863	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M-H+Cl"	33.962126
"940833"	164.557663	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-H+Cl"	33.962126
"280360"	625.275802	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+Cl"	34.969402
"670721"	920.429002	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+Cl"	34.969402
"1284217"	330.122602	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Cl"	34.969402
"27866"	627.255006	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M-2H+K"	36.948606
"466332"	922.408206	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M-2H+K"	36.948606
"846445"	332.101806	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-2H+K"	36.948606
"1566528"	332.101806	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+K-2H"	36.948606
"957328"	340.151394	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-H+HCOOH"	44.998194
"375665"	635.304601	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+HCOOH-H"	44.998201
"358700"	649.320251	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+Hac-H"	59.013851
"1507167"	354.167051	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Hac-H"	59.013851
"960861"	362.133351	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-H+NaCOOH"	66.980151
"115237"	330.122602	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+2Cl"	69.938804
"556983"	477.699202	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+2Cl"	69.938804
"1031251"	182.546002	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2Cl"	69.938804
"1242445"	374.072085	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Br"	78.918885
"1316930"	376.128072	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Cl+HCOOH"	80.974872
"1328593"	398.110029	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Cl+NaCOOH"	102.956829
"915277"	408.138786	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M-H+CF3COOH"	112.985586
"1296358"	444.115464	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Cl+CF3COOH"	148.962264
"1373426"	260.140524	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H-2H2O"	-35.012676
"1388737"	278.1505	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H-H2O"	-17.0027
"283563"	591.313676	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+H"	1.007276
"677566"	886.466876	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+H"	1.007276
"1352822"	296.160476	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H"	1.007276
"131178"	296.160476	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+2H"	2.014552
"577299"	443.737076	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+2H"	2.014552
"1041726"	148.583876	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2H"	2.014552
"208532"	197.776076	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+3H"	3.021828
"646999"	296.160476	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+3H"	3.021828
"1163423"	99.391676	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+3H"	3.021828
"425848"	608.340223	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+NH4"	18.033823
"789395"	903.493423	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+NH4"	18.033823
"1685727"	313.187023	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+NH4"	18.033823
"331815"	304.6737495	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+H+NH4"	19.041099
"726423"	452.2503495	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+H+NH4"	19.041099
"1483524"	157.0971495	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H+NH4"	19.041099
"395641"	613.295618	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+Na"	22.989218
"755180"	908.448818	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+Na"	22.989218
"1606930"	318.142418	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Na"	22.989218
"319157"	307.151447	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+H+Na"	23.996494
"712673"	454.728047	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+H+Na"	23.996494
"1470867"	159.574847	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H+Na"	23.996494
"1054269"	106.71899	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2H+Na"	25.00377
"1264697"	328.186686	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+CH3OH+H"	33.033486
"384366"	629.269558	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+K"	38.963158
"748642"	924.422758	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+K"	38.963158
"1545226"	334.116358	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+K"	38.963158
"308964"	315.138417	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+H+K"	39.970434
"701386"	462.715017	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+H+K"	39.970434
"1455207"	167.561817	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H+K"	39.970434
"248548"	632.340226	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+ACN+H"	42.033826
"1218704"	337.187026	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+ACN+H"	42.033826
"1206963"	169.097151	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+ACN+2H"	43.041102
"202020"	635.27756	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+2Na-H"	44.97116
"641581"	930.43076	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+2Na-H"	44.97116
"1140712"	340.12436	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2Na-H"	44.97116
"186190"	318.142418	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+2Na"	45.978436
"628236"	465.719018	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+2Na"	45.978436
"1131132"	170.565818	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2Na"	45.978436
"1413524"	114.046304	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H+2Na"	46.985712
"1441992"	342.165946	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H+HCOOH"	47.012746
"232052"	323.17544	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+3H2O+2H"	56.04448
"1520111"	356.21799	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+IsoProp+H"	61.06479
"420527"	326.129388	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+Na+K"	61.952376
"780060"	473.705988	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+Na+K"	61.952376
"1679305"	178.552788	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Na+K"	61.952376
"260724"	654.322168	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+ACN+Na"	64.015768
"1236712"	359.168968	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+ACN+Na"	64.015768
"1723411"	359.192493	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+NH4+HCOOH"	64.039293
"1183297"	121.373618	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+3Na"	68.967654
"1652825"	364.147888	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Na+HCOOH"	68.994688
"163333"	667.22544	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+2K-H"	76.91904
"606176"	962.37864	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+2K-H"	76.91904
"1094701"	372.07224	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2K-H"	76.91904
"147147"	334.116358	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"2M+2K"	77.926316
"588893"	481.692958	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"3M+2K"	77.926316
"1077051"	186.539758	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2K"	77.926316
"1108803"	374.086792	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2K+H"	78.933592
"1345192"	374.174407	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+DMSO+H"	79.021207
"1015178"	378.213576	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2ACN+H"	83.060376
"1531846"	379.207208	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+IsoProp+Na+H"	84.054008
"998659"	189.610426	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+2ACN+2H"	84.067652
"1600454"	380.121828	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+K+HCOOH"	84.968628
"1425383"	410.153338	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+H+CF3COOH"	115.000138
"1160409"	210.123701	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+3ACN+2H"	125.094202
"1703035"	427.179885	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+NH4+CF3COOH"	132.026685
"1635407"	432.13528	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+Na+CF3COOH"	136.98208
"1574341"	448.10922	"C18582"	"Butralin"	"C14H21N3O4"	"295.1532"	"M+K+CF3COOH"	152.95602
"816658"	387.1237	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M"	0
"988086"	368.10531	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-H2O-H"	-19.01839
"75237"	257.075190666667	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M-3H"	-3.021828
"511516"	386.116424	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M-3H"	-3.021828
"888224"	128.033957333333	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-3H"	-3.021828
"6799"	386.116424	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M-2H"	-2.014552
"448545"	579.678274	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M-2H"	-2.014552
"829627"	192.554574	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-2H"	-2.014552
"91805"	773.240124	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M-H"	-1.007276
"521522"	1160.363824	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M-H"	-1.007276
"898231"	386.116424	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-H"	-1.007276
"47862"	790.266671	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M-2H+NH4"	16.019271
"488888"	1177.390371	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M-2H+NH4"	16.019271
"869970"	403.142971	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-2H+NH4"	16.019271
"38965"	795.222066	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M-2H+Na"	20.974666
"477432"	1182.345766	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M-2H+Na"	20.974666
"850859"	408.098366	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-2H+Na"	20.974666
"1619420"	408.098366	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Na-2H"	20.974666
"103493"	404.104763	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M-H+Cl"	33.962126
"544144"	597.666613	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M-H+Cl"	33.962126
"935470"	210.542913	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-H+Cl"	33.962126
"275120"	809.216802	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+Cl"	34.969402
"666457"	1196.340502	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+Cl"	34.969402
"1283233"	422.093102	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Cl"	34.969402
"22507"	811.196006	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M-2H+K"	36.948606
"466441"	1198.319706	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M-2H+K"	36.948606
"840963"	424.072306	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-2H+K"	36.948606
"1566638"	424.072306	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+K-2H"	36.948606
"955616"	432.121894	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-H+HCOOH"	44.998194
"374924"	819.245601	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+HCOOH-H"	44.998201
"357716"	833.261251	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+Hac-H"	59.013851
"1503266"	446.137551	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Hac-H"	59.013851
"970807"	454.103851	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-H+NaCOOH"	66.980151
"113160"	422.093102	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+2Cl"	69.938804
"553812"	615.654952	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+2Cl"	69.938804
"1029174"	228.531252	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2Cl"	69.938804
"1241825"	466.042585	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Br"	78.918885
"1315217"	468.098572	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Cl+HCOOH"	80.974872
"1328703"	490.080529	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Cl+NaCOOH"	102.956829
"914293"	500.109286	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M-H+CF3COOH"	112.985586
"1294281"	536.085964	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Cl+CF3COOH"	148.962264
"1371349"	352.111024	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H-2H2O"	-35.012676
"1388847"	370.121	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H-H2O"	-17.0027
"283429"	775.254676	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+H"	1.007276
"676946"	1162.378376	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+H"	1.007276
"1356212"	388.130976	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H"	1.007276
"130194"	388.130976	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+2H"	2.014552
"574129"	581.692826	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+2H"	2.014552
"1038556"	194.569126	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2H"	2.014552
"214109"	259.089742666667	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+3H"	3.021828
"647473"	388.130976	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+3H"	3.021828
"1163287"	130.048509333333	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+3H"	3.021828
"428511"	792.281223	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+NH4"	18.033823
"787318"	1179.404923	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+NH4"	18.033823
"1684744"	405.157523	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+NH4"	18.033823
"330950"	396.6442495	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+H+NH4"	19.041099
"724343"	590.2060995	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+H+NH4"	19.041099
"1479258"	203.0823995	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H+NH4"	19.041099
"394534"	797.236618	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+Na"	22.989218
"755653"	1184.360318	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+Na"	22.989218
"1603066"	410.112918	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Na"	22.989218
"319266"	399.121947	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+H+Na"	23.996494
"712783"	592.683797	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+H+Na"	23.996494
"1470977"	205.560097	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H+Na"	23.996494
"1063129"	137.375823333333	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2H+Na"	25.00377
"1266994"	420.157186	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+CH3OH+H"	33.033486
"391405"	813.210558	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+K"	38.963158
"749846"	1200.334258	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+K"	38.963158
"1546431"	426.086858	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+K"	38.963158
"310899"	407.108917	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+H+K"	39.970434
"699309"	600.670767	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+H+K"	39.970434
"1455317"	213.547067	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H+K"	39.970434
"248292"	816.281226	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+ACN+H"	42.033826
"1218814"	429.157526	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+ACN+H"	42.033826
"1207074"	215.082401	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+ACN+2H"	43.041102
"199943"	819.21856	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+2Na-H"	44.97116
"640597"	1206.34226	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+2Na-H"	44.97116
"1144470"	432.09486	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2Na-H"	44.97116
"184114"	410.112918	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+2Na"	45.978436
"627941"	603.674768	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+2Na"	45.978436
"1131079"	216.551068	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2Na"	45.978436
"1411443"	144.703137333333	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H+2Na"	46.985712
"1444289"	434.136446	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H+HCOOH"	47.012746
"232162"	415.14594	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+3H2O+2H"	56.04448
"1520587"	448.18849	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+IsoProp+H"	61.06479
"421002"	418.099888	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+Na+K"	61.952376
"782358"	611.661738	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+Na+K"	61.952376
"1679051"	224.538038	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Na+K"	61.952376
"258647"	838.263168	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+ACN+Na"	64.015768
"1236822"	451.139468	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+ACN+Na"	64.015768
"1722427"	451.162993	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+NH4+HCOOH"	64.039293
"1182314"	152.030451333333	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+3Na"	68.967654
"1652935"	456.118388	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Na+HCOOH"	68.994688
"163443"	851.16644	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+2K-H"	76.91904
"606286"	1238.29014	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+2K-H"	76.91904
"1094810"	464.04274	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2K-H"	76.91904
"149809"	426.086858	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"2M+2K"	77.926316
"589732"	619.648708	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"3M+2K"	77.926316
"1078255"	232.525008	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2K"	77.926316
"1111468"	466.057292	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2K+H"	78.933592
"1346031"	466.144907	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+DMSO+H"	79.021207
"1018569"	470.184076	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2ACN+H"	83.060376
"1532320"	471.177708	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+IsoProp+Na+H"	84.054008
"997676"	235.595676	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+2ACN+2H"	84.067652
"1600564"	472.092328	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+K+HCOOH"	84.968628
"1426224"	502.123838	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+H+CF3COOH"	115.000138
"1160883"	256.108951	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+3ACN+2H"	125.094202
"1705333"	519.150385	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+NH4+CF3COOH"	132.026685
"1636611"	524.10578	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+Na+CF3COOH"	136.98208
"1574451"	540.07972	"C18583"	"Dimethomorph"	"C21H22ClNO4"	"387.1237"	"M+K+CF3COOH"	152.95602
"816768"	207.0087	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M"	0
"984916"	187.99031	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-H2O-H"	-19.01839
"74254"	136.998524	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M-3H"	-3.021828
"511626"	206.001424	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M-3H"	-3.021828
"886147"	67.995624	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-3H"	-3.021828
"6909"	206.001424	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M-2H"	-2.014552
"453396"	309.505774	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M-2H"	-2.014552
"828644"	102.497074	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-2H"	-2.014552
"91916"	413.010124	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M-H"	-1.007276
"521632"	620.018824	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M-H"	-1.007276
"898705"	206.001424	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-H"	-1.007276
"49800"	430.036671	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M-2H+NH4"	16.019271
"489119"	637.045371	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M-2H+NH4"	16.019271
"866800"	223.027971	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-2H+NH4"	16.019271
"37982"	434.992066	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M-2H+Na"	20.974666
"477542"	642.000766	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M-2H+Na"	20.974666
"849511"	227.983366	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-2H+Na"	20.974666
"1619043"	227.983366	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Na-2H"	20.974666
"104696"	223.989763	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M-H+Cl"	33.962126
"539881"	327.494113	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M-H+Cl"	33.962126
"935580"	120.485413	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-H+Cl"	33.962126
"277416"	448.986802	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+Cl"	34.969402
"668753"	655.995502	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+Cl"	34.969402
"1282249"	241.978102	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Cl"	34.969402
"22617"	450.966006	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M-2H+K"	36.948606
"464364"	657.974706	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M-2H+K"	36.948606
"842166"	243.957306	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-2H+K"	36.948606
"1565654"	243.957306	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+K-2H"	36.948606
"955726"	252.006894	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-H+HCOOH"	44.998194
"376860"	459.015601	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+HCOOH-H"	44.998201
"360012"	473.031251	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+Hac-H"	59.013851
"1501190"	266.022551	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Hac-H"	59.013851
"967638"	273.988851	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-H+NaCOOH"	66.980151
"112897"	241.978102	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+2Cl"	69.938804
"550394"	345.482452	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+2Cl"	69.938804
"1029284"	138.473752	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2Cl"	69.938804
"1242662"	285.927585	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Br"	78.918885
"1312410"	287.983572	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Cl+HCOOH"	80.974872
"1327718"	309.965529	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Cl+NaCOOH"	102.956829
"916589"	319.994286	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M-H+CF3COOH"	112.985586
"1291474"	355.970964	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Cl+CF3COOH"	148.962264
"1369636"	171.996024	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H-2H2O"	-35.012676
"1384583"	190.006	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H-H2O"	-17.0027
"283209"	415.024676	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+H"	1.007276
"675841"	622.033376	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+H"	1.007276
"1354135"	208.015976	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H"	1.007276
"134678"	208.015976	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+2H"	2.014552
"575332"	311.520326	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+2H"	2.014552
"1038662"	104.511626	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2H"	2.014552
"208386"	139.013076	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+3H"	3.021828
"647582"	208.015976	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+3H"	3.021828
"1164250"	70.010176	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+3H"	3.021828
"427891"	432.051223	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+NH4"	18.033823
"788886"	639.059923	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+NH4"	18.033823
"1681483"	225.042523	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+NH4"	18.033823
"330941"	216.5292495	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+H+NH4"	19.041099
"723842"	320.0335995	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+H+NH4"	19.041099
"1479365"	113.0248995	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H+NH4"	19.041099
"394035"	437.006618	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+Na"	22.989218
"755280"	644.015318	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+Na"	22.989218
"1604110"	229.997918	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Na"	22.989218
"319376"	219.006947	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+H+Na"	23.996494
"712893"	322.511297	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+H+Na"	23.996494
"1469994"	115.502597	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H+Na"	23.996494
"1066522"	77.33749	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2H+Na"	25.00377
"1267104"	240.042186	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+CH3OH+H"	33.033486
"390785"	452.980558	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+K"	38.963158
"748863"	659.989258	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+K"	38.963158
"1546541"	245.971858	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+K"	38.963158
"308093"	226.993917	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+H+K"	39.970434
"699419"	330.498267	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+H+K"	39.970434
"1456520"	123.489567	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H+K"	39.970434
"246216"	456.051226	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+ACN+H"	42.033826
"1220018"	249.042526	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+ACN+H"	42.033826
"1207912"	125.024901	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+ACN+2H"	43.041102
"201147"	458.98856	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+2Na-H"	44.97116
"640707"	665.99726	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+2Na-H"	44.97116
"1144215"	251.97986	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2Na-H"	44.97116
"180944"	229.997918	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+2Na"	45.978436
"627686"	333.502268	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+2Na"	45.978436
"1130947"	126.493568	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2Na"	45.978436
"1412646"	84.664804	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H+2Na"	46.985712
"1443671"	254.021446	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H+HCOOH"	47.012746
"233363"	235.03094	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+3H2O+2H"	56.04448
"1522517"	268.07349	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+IsoProp+H"	61.06479
"419287"	237.984888	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+Na+K"	61.952376
"778092"	341.489238	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+Na+K"	61.952376
"1673329"	134.480538	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Na+K"	61.952376
"256205"	478.033168	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+ACN+Na"	64.015768
"1231829"	271.024468	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+ACN+Na"	64.015768
"1719621"	271.047993	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+NH4+HCOOH"	64.039293
"1179872"	91.992118	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+3Na"	68.967654
"1650858"	276.003388	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Na+HCOOH"	68.994688
"162460"	490.93644	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+2K-H"	76.91904
"605302"	697.94514	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+2K-H"	76.91904
"1096378"	283.92774	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2K-H"	76.91904
"147731"	245.971858	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"2M+2K"	77.926316
"587290"	349.476208	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"3M+2K"	77.926316
"1079093"	142.467508	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2K"	77.926316
"1111211"	285.942292	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2K+H"	78.933592
"1339210"	286.029907	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+DMSO+H"	79.021207
"1016489"	290.069076	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2ACN+H"	83.060376
"1532430"	291.062708	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+IsoProp+Na+H"	84.054008
"1001066"	145.538176	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+2ACN+2H"	84.067652
"1601039"	291.977328	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+K+HCOOH"	84.968628
"1427428"	322.008838	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+H+CF3COOH"	115.000138
"1160264"	166.051451	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+3ACN+2H"	125.094202
"1705443"	339.035385	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+NH4+CF3COOH"	132.026685
"1640001"	343.99078	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+Na+CF3COOH"	136.98208
"1574561"	359.96472	"C18584"	"Quinoclamin"	"C10H6ClNO2"	"207.0087"	"M+K+CF3COOH"	152.95602
"814772"	122.0737	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M"	0
"987578"	103.05531	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-H2O-H"	-19.01839
"74364"	80.3751906666667	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M-3H"	-3.021828
"511736"	121.066424	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M-3H"	-3.021828
"889537"	39.6839573333333	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-3H"	-3.021828
"5926"	121.066424	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M-2H"	-2.014552
"453506"	182.103274	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M-2H"	-2.014552
"828754"	60.029574	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-2H"	-2.014552
"93852"	243.140124	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M-H"	-1.007276
"528303"	365.213824	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M-H"	-1.007276
"903918"	121.066424	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-H"	-1.007276
"51733"	260.166671	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M-2H+NH4"	16.019271
"492388"	382.240371	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M-2H+NH4"	16.019271
"866910"	138.092971	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-2H+NH4"	16.019271
"34082"	265.122066	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M-2H+Na"	20.974666
"471813"	387.195766	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M-2H+Na"	20.974666
"848765"	143.048366	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-2H+Na"	20.974666
"1618704"	143.048366	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Na-2H"	20.974666
"97137"	139.054763	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M-H+Cl"	33.962126
"539991"	200.091613	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M-H+Cl"	33.962126
"933501"	78.017913	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-H+Cl"	33.962126
"273153"	279.116802	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+Cl"	34.969402
"671050"	401.190502	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+Cl"	34.969402
"1279078"	157.043102	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Cl"	34.969402
"19447"	281.096006	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M-2H+K"	36.948606
"460101"	403.169706	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M-2H+K"	36.948606
"838996"	159.022306	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-2H+K"	36.948606
"1567953"	159.022306	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+K-2H"	36.948606
"955836"	167.071894	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-H+HCOOH"	44.998194
"375875"	289.145601	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+HCOOH-H"	44.998201
"359028"	303.161251	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+Hac-H"	59.013851
"1503487"	181.087551	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Hac-H"	59.013851
"971028"	189.053851	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-H+NaCOOH"	66.980151
"111187"	157.043102	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+2Cl"	69.938804
"551479"	218.079952	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+2Cl"	69.938804
"1029394"	96.006252	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2Cl"	69.938804
"1242775"	200.992585	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Br"	78.918885
"1312520"	203.048572	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Cl+HCOOH"	80.974872
"1326737"	225.030529	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Cl+NaCOOH"	102.956829
"918886"	235.059286	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M-H+CF3COOH"	112.985586
"1296687"	271.035964	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Cl+CF3COOH"	148.962264
"1372662"	87.061024	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H-2H2O"	-35.012676
"1389067"	105.071	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H-H2O"	-17.0027
"289847"	245.154676	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+H"	1.007276
"680084"	367.228376	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+H"	1.007276
"1354245"	123.080976	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H"	1.007276
"128956"	123.080976	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+2H"	2.014552
"574349"	184.117826	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+2H"	2.014552
"1039135"	62.044126	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2H"	2.014552
"209590"	82.3897426666667	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+3H"	3.021828
"648421"	123.080976	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+3H"	3.021828
"1166550"	41.6985093333333	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+3H"	3.021828
"429824"	262.181223	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+NH4"	18.033823
"789360"	384.254923	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+NH4"	18.033823
"1682773"	140.107523	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+NH4"	18.033823
"331290"	131.5942495	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+H+NH4"	19.041099
"724927"	192.6310995	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+H+NH4"	19.041099
"1480572"	70.5573995	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H+NH4"	19.041099
"394514"	267.136618	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+Na"	22.989218
"754785"	389.210318	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+Na"	22.989218
"1603127"	145.062918	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Na"	22.989218
"318393"	134.071947	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+H+Na"	23.996494
"713003"	195.108797	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+H+Na"	23.996494
"1474844"	73.035097	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H+Na"	23.996494
"1068010"	49.0258233333333	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2H+Na"	25.00377
"1268674"	155.107186	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+CH3OH+H"	33.033486
"391624"	283.110558	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+K"	38.963158
"746785"	405.184258	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+K"	38.963158
"1546651"	161.036858	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+K"	38.963158
"309296"	142.058917	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+H+K"	39.970434
"697343"	203.095767	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+H+K"	39.970434
"1455537"	81.022067	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H+K"	39.970434
"249243"	286.181226	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+ACN+H"	42.033826
"1224017"	164.107526	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+ACN+H"	42.033826
"1208756"	82.557401	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+ACN+2H"	43.041102
"203327"	289.11856	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+2Na-H"	44.97116
"644025"	411.19226	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+2Na-H"	44.97116
"1146515"	167.04486	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2Na-H"	44.97116
"187374"	145.062918	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+2Na"	45.978436
"627916"	206.099768	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+2Na"	45.978436
"1130688"	84.026068	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2Na"	45.978436
"1413893"	56.3531373333333	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H+2Na"	46.985712
"1443779"	169.086446	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H+HCOOH"	47.012746
"234567"	150.09594	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+3H2O+2H"	56.04448
"1519708"	183.13849	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+IsoProp+H"	61.06479
"421583"	153.049888	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+Na+K"	61.952376
"778202"	214.086738	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+Na+K"	61.952376
"1673439"	92.013038	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Na+K"	61.952376
"258867"	308.163168	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+ACN+Na"	64.015768
"1232668"	186.089468	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+ACN+Na"	64.015768
"1719731"	186.112993	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+NH4+HCOOH"	64.039293
"1179982"	63.6804513333333	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+3Na"	68.967654
"1650481"	191.068388	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Na+HCOOH"	68.994688
"162934"	321.06644	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+2K-H"	76.91904
"605412"	443.14014	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+2K-H"	76.91904
"1094300"	198.99274	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2K-H"	76.91904
"147841"	161.036858	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"2M+2K"	77.926316
"583147"	222.073708	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"3M+2K"	77.926316
"1073007"	100.000008	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2K"	77.926316
"1106216"	201.007292	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2K+H"	78.933592
"1338225"	201.094907	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+DMSO+H"	79.021207
"1010039"	205.134076	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2ACN+H"	83.060376
"1532540"	206.127708	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+IsoProp+Na+H"	84.054008
"1001176"	103.070676	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+2ACN+2H"	84.067652
"1600420"	207.042328	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+K+HCOOH"	84.968628
"1423527"	237.073838	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+H+CF3COOH"	115.000138
"1160374"	123.583951	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+3ACN+2H"	125.094202
"1705553"	254.100385	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+NH4+CF3COOH"	132.026685
"1636101"	259.05578	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+Na+CF3COOH"	136.98208
"1574671"	275.02972	"C18585"	"Chlormequat"	"C5H13ClN"	"122.0737"	"M+K+CF3COOH"	152.95602
"816760"	129.9579	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M"	0
"987323"	110.93951	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-H2O-H"	-19.01839
"73380"	85.631324	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M-3H"	-3.021828
"511846"	128.950624	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M-3H"	-3.021828
"886367"	42.312024	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-3H"	-3.021828
"6036"	128.950624	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M-2H"	-2.014552
"454709"	193.929574	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M-2H"	-2.014552
"828864"	63.971674	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-2H"	-2.014552
"93596"	258.908524	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M-H"	-1.007276
"528413"	388.866424	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M-H"	-1.007276
"904028"	128.950624	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-H"	-1.007276
"51113"	275.935071	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M-2H+NH4"	16.019271
"492498"	405.892971	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M-2H+NH4"	16.019271
"865074"	145.977171	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-2H+NH4"	16.019271
"33828"	280.890466	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M-2H+Na"	20.974666
"471435"	410.848366	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M-2H+Na"	20.974666
"848521"	150.932566	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-2H+Na"	20.974666
"1618692"	150.932566	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Na-2H"	20.974666
"96154"	146.938963	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M-H+Cl"	33.962126
"536082"	211.917913	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M-H+Cl"	33.962126
"930327"	81.960013	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-H+Cl"	33.962126
"272165"	294.885202	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+Cl"	34.969402
"668965"	424.843102	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+Cl"	34.969402
"1276990"	164.927302	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Cl"	34.969402
"20644"	296.864406	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M-2H+K"	36.948606
"462396"	426.822306	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M-2H+K"	36.948606
"833512"	166.906506	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-2H+K"	36.948606
"1555784"	166.906506	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+K-2H"	36.948606
"949383"	174.956094	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-H+HCOOH"	44.998194
"370880"	304.914001	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+HCOOH-H"	44.998201
"357680"	318.929651	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+Hac-H"	59.013851
"1503231"	188.971751	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Hac-H"	59.013851
"959715"	196.938051	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-H+NaCOOH"	66.980151
"110046"	164.927302	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+2Cl"	69.938804
"553048"	229.906252	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+2Cl"	69.938804
"1032784"	99.948352	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2Cl"	69.938804
"1242885"	208.876785	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Br"	78.918885
"1312630"	210.932772	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Cl+HCOOH"	80.974872
"1329034"	232.914729	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Cl+NaCOOH"	102.956829
"917904"	242.943486	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M-H+CF3COOH"	112.985586
"1295704"	278.920164	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Cl+CF3COOH"	148.962264
"1372772"	94.945224	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H-2H2O"	-35.012676
"1390269"	112.9552	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H-H2O"	-17.0027
"289957"	260.923076	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+H"	1.007276
"685661"	390.880976	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+H"	1.007276
"1357635"	130.965176	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H"	1.007276
"133805"	130.965176	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+2H"	2.014552
"574459"	195.944126	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+2H"	2.014552
"1038517"	65.986226	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2H"	2.014552
"207877"	87.645876	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+3H"	3.021828
"647801"	130.965176	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+3H"	3.021828
"1164471"	44.326576	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+3H"	3.021828
"425921"	277.949623	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+NH4"	18.033823
"788377"	407.907523	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+NH4"	18.033823
"1682883"	147.991723	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+NH4"	18.033823
"331161"	139.4784495	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+H+NH4"	19.041099
"723336"	204.4573995	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+H+NH4"	19.041099
"1481778"	74.4994995	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H+NH4"	19.041099
"394016"	282.905018	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+Na"	22.989218
"754895"	412.862918	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+Na"	22.989218
"1602800"	152.947118	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Na"	22.989218
"319596"	141.956147	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+H+Na"	23.996494
"714206"	206.935097	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+H+Na"	23.996494
"1474954"	76.977197	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H+Na"	23.996494
"1067958"	51.65389	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2H+Na"	25.00377
"1268784"	162.991386	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+CH3OH+H"	33.033486
"391734"	298.878958	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+K"	38.963158
"745802"	428.836858	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+K"	38.963158
"1544575"	168.921058	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+K"	38.963158
"308313"	149.943117	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+H+K"	39.970434
"699640"	214.922067	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+H+K"	39.970434
"1457834"	84.964167	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H+K"	39.970434
"250204"	301.949626	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+ACN+H"	42.033826
"1224737"	171.991726	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+ACN+H"	42.033826
"1208866"	86.499501	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+ACN+2H"	43.041102
"203073"	304.88696	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+2Na-H"	44.97116
"643726"	434.84486	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+2Na-H"	44.97116
"1146380"	174.92906	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2Na-H"	44.97116
"187364"	152.947118	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+2Na"	45.978436
"624008"	217.926068	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+2Na"	45.978436
"1129584"	87.968168	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2Na"	45.978436
"1412137"	58.981204	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H+2Na"	46.985712
"1442066"	176.970646	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H+HCOOH"	47.012746
"232489"	157.98014	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+3H2O+2H"	56.04448
"1519818"	191.02269	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+IsoProp+H"	61.06479
"421693"	160.934088	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+Na+K"	61.952376
"780498"	225.913038	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+Na+K"	61.952376
"1675736"	95.955138	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Na+K"	61.952376
"258244"	323.931568	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+ACN+Na"	64.015768
"1230953"	193.973668	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+ACN+Na"	64.015768
"1713764"	193.997193	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+NH4+HCOOH"	64.039293
"1179116"	66.308518	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+3Na"	68.967654
"1650100"	198.952588	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Na+HCOOH"	68.994688
"159398"	336.83484	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+2K-H"	76.91904
"601147"	466.79274	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+2K-H"	76.91904
"1088214"	206.87694	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2K-H"	76.91904
"149042"	168.921058	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"2M+2K"	77.926316
"584228"	233.900008	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"3M+2K"	77.926316
"1077493"	103.942108	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2K"	77.926316
"1106326"	208.891492	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2K+H"	78.933592
"1336270"	208.979107	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+DMSO+H"	79.021207
"1010148"	213.018276	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2ACN+H"	83.060376
"1533743"	214.011908	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+IsoProp+Na+H"	84.054008
"1001286"	107.012776	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+2ACN+2H"	84.067652
"1601989"	214.926528	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+K+HCOOH"	84.968628
"1426917"	244.958038	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+H+CF3COOH"	115.000138
"1162552"	127.526051	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+3ACN+2H"	125.094202
"1705663"	261.984585	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+NH4+CF3COOH"	132.026685
"1638032"	266.93998	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+Na+CF3COOH"	136.98208
"1574781"	282.91392	"C18586"	"Calcium formate;Formic acid calcium salt"	"(CHO2)2Ca"	"129.9579"	"M+K+CF3COOH"	152.95602
"816694"	72.9986	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M"	0
"989257"	53.98021	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-H2O-H"	-19.01839
"74583"	47.6584573333333	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M-3H"	-3.021828
"515236"	71.991324	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M-3H"	-3.021828
"890851"	23.3255906666667	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-3H"	-3.021828
"8333"	71.991324	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M-2H"	-2.014552
"454699"	108.490624	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M-2H"	-2.014552
"828974"	35.492024	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-2H"	-2.014552
"93589"	144.989924	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M-H"	-1.007276
"531804"	217.988524	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M-H"	-1.007276
"906325"	71.991324	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-H"	-1.007276
"51953"	162.016471	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M-2H+NH4"	16.019271
"489328"	235.015071	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M-2H+NH4"	16.019271
"869317"	89.017871	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-2H+NH4"	16.019271
"41593"	166.971866	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M-2H+Na"	20.974666
"475686"	239.970466	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M-2H+Na"	20.974666
"849108"	93.973266	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-2H+Na"	20.974666
"1619170"	93.973266	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Na-2H"	20.974666
"95537"	89.979663	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M-H+Cl"	33.962126
"535464"	126.478963	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M-H+Cl"	33.962126
"928616"	53.480363	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-H+Cl"	33.962126
"270089"	180.966602	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+Cl"	34.969402
"669074"	253.965202	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+Cl"	34.969402
"1277101"	107.968002	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Cl"	34.969402
"24035"	182.945806	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M-2H+K"	36.948606
"460319"	255.944406	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M-2H+K"	36.948606
"837026"	109.947206	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-2H+K"	36.948606
"1558328"	109.947206	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+K-2H"	36.948606
"945479"	117.996794	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-H+HCOOH"	44.998194
"364426"	190.995401	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+HCOOH-H"	44.998201
"352686"	205.011051	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+Hac-H"	59.013851
"1496050"	132.012451	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Hac-H"	59.013851
"958854"	139.978751	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-H+NaCOOH"	66.980151
"116875"	107.968002	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+2Cl"	69.938804
"553522"	144.467302	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+2Cl"	69.938804
"1026333"	71.468702	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2Cl"	69.938804
"1244818"	151.917485	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Br"	78.918885
"1312740"	153.973472	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Cl+HCOOH"	80.974872
"1325864"	175.955429	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Cl+NaCOOH"	102.956829
"918014"	185.984186	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M-H+CF3COOH"	112.985586
"1296908"	221.960864	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Cl+CF3COOH"	148.962264
"1371788"	37.985924	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H-2H2O"	-35.012676
"1390379"	55.9959	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H-H2O"	-17.0027
"290067"	147.004476	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+H"	1.007276
"683584"	220.003076	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+H"	1.007276
"1359932"	74.005876	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H"	1.007276
"137195"	74.005876	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+2H"	2.014552
"576758"	110.505176	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+2H"	2.014552
"1041183"	37.506576	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2H"	2.014552
"212362"	49.6730093333333	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+3H"	3.021828
"647911"	74.005876	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+3H"	3.021828
"1167498"	25.3401426666667	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+3H"	3.021828
"432231"	164.031023	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+NH4"	18.033823
"789946"	237.029623	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+NH4"	18.033823
"1686640"	91.032423	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+NH4"	18.033823
"333459"	82.5191495	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+H+NH4"	19.041099
"729162"	119.0184495	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+H+NH4"	19.041099
"1486262"	46.0198495	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H+NH4"	19.041099
"403849"	168.986418	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+Na"	22.989218
"759380"	241.985018	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+Na"	22.989218
"1603182"	95.987818	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Na"	22.989218
"319707"	84.996847	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+H+Na"	23.996494
"713223"	121.496147	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+H+Na"	23.996494
"1473608"	48.497547	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H+Na"	23.996494
"1066369"	32.6674566666667	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2H+Na"	25.00377
"1269990"	106.032086	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+CH3OH+H"	33.033486
"391120"	184.960358	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+K"	38.963158
"745912"	257.958958	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+K"	38.963158
"1547966"	111.961758	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+K"	38.963158
"308423"	92.983817	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+H+K"	39.970434
"701937"	129.483117	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+H+K"	39.970434
"1458314"	56.484517	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H+K"	39.970434
"249103"	188.031026	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+ACN+H"	42.033826
"1224607"	115.032426	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+ACN+H"	42.033826
"1208250"	58.019851	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+ACN+2H"	43.041102
"203310"	190.96836	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+2Na-H"	44.97116
"643111"	263.96696	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+2Na-H"	44.97116
"1146618"	117.96976	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2Na-H"	44.97116
"187473"	95.987818	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+2Na"	45.978436
"623023"	132.487118	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+2Na"	45.978436
"1129938"	59.488518	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2Na"	45.978436
"1412493"	39.9947706666667	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H+2Na"	46.985712
"1443272"	120.011346	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H+HCOOH"	47.012746
"232963"	101.02084	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+3H2O+2H"	56.04448
"1517742"	134.06339	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+IsoProp+H"	61.06479
"422532"	103.974788	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+Na+K"	61.952376
"783161"	140.474088	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+Na+K"	61.952376
"1678762"	67.475488	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Na+K"	61.952376
"260542"	210.012968	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+ACN+Na"	64.015768
"1234344"	137.014368	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+ACN+Na"	64.015768
"1717034"	137.037893	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+NH4+HCOOH"	64.039293
"1180201"	47.3220846666667	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+3Na"	68.967654
"1654468"	141.993288	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Na+HCOOH"	68.994688
"160601"	222.91624	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+2K-H"	76.91904
"601622"	295.91484	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+2K-H"	76.91904
"1088324"	149.91764	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2K-H"	76.91904
"153891"	111.961758	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"2M+2K"	77.926316
"592357"	148.461058	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"3M+2K"	77.926316
"1080883"	75.462458	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2K"	77.926316
"1109717"	151.932192	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2K+H"	78.933592
"1339541"	152.019807	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+DMSO+H"	79.021207
"1015725"	156.058976	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2ACN+H"	83.060376
"1533853"	157.052608	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+IsoProp+Na+H"	84.054008
"995926"	78.533126	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+2ACN+2H"	84.067652
"1593709"	157.967228	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+K+HCOOH"	84.968628
"1424838"	187.998738	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+H+CF3COOH"	115.000138
"1161687"	99.046401	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+3ACN+2H"	125.094202
"1709053"	205.025285	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+NH4+CF3COOH"	132.026685
"1638505"	209.98068	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+Na+CF3COOH"	136.98208
"1574891"	225.95462	"C18587"	"Methyl isothiocyanate"	"C2H3NS"	"72.9986"	"M+K+CF3COOH"	152.95602
"810727"	99.9937	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M"	0
"988635"	80.97531	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-H2O-H"	-19.01839
"77607"	65.6551906666667	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M-3H"	-3.021828
"515346"	98.986424	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M-3H"	-3.021828
"888774"	32.3239573333333	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-3H"	-3.021828
"9535"	98.986424	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M-2H"	-2.014552
"452375"	148.983274	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M-2H"	-2.014552
"830907"	48.989574	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-2H"	-2.014552
"92721"	198.980124	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M-H"	-1.007276
"527540"	298.973824	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M-H"	-1.007276
"903155"	98.986424	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-H"	-1.007276
"50969"	216.006671	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M-2H+NH4"	16.019271
"488829"	316.000371	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M-2H+NH4"	16.019271
"869427"	116.012971	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-2H+NH4"	16.019271
"41703"	220.962066	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M-2H+Na"	20.974666
"472756"	320.955766	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M-2H+Na"	20.974666
"849583"	120.968366	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-2H+Na"	20.974666
"1619482"	120.968366	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Na-2H"	20.974666
"95402"	116.974763	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M-H+Cl"	33.962126
"537396"	166.971613	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M-H+Cl"	33.962126
"934923"	66.977913	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-H+Cl"	33.962126
"272385"	234.956802	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+Cl"	34.969402
"663716"	334.950502	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+Cl"	34.969402
"1276116"	134.963102	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Cl"	34.969402
"17944"	236.936006	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M-2H+K"	36.948606
"460425"	336.929706	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M-2H+K"	36.948606
"834950"	136.942306	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-2H+K"	36.948606
"1558438"	136.942306	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+K-2H"	36.948606
"943767"	144.991894	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-H+HCOOH"	44.998194
"361984"	244.985601	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+HCOOH-H"	44.998201
"349516"	259.001251	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+Hac-H"	59.013851
"1496162"	159.007551	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Hac-H"	59.013851
"959694"	166.973851	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-H+NaCOOH"	66.980151
"120267"	134.963102	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+2Cl"	69.938804
"552175"	184.959952	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+2Cl"	69.938804
"1028629"	84.966252	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2Cl"	69.938804
"1244928"	178.912585	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Br"	78.918885
"1311757"	180.968572	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Cl+HCOOH"	80.974872
"1328160"	202.950529	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Cl+NaCOOH"	102.956829
"920310"	212.979286	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M-H+CF3COOH"	112.985586
"1299204"	248.955964	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Cl+CF3COOH"	148.962264
"1375179"	64.981024	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H-2H2O"	-35.012676
"1394863"	82.991	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H-H2O"	-17.0027
"293457"	200.994676	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+H"	1.007276
"680414"	300.988376	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+H"	1.007276
"1362229"	101.000976	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H"	1.007276
"139492"	101.000976	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+2H"	2.014552
"577963"	150.997826	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+2H"	2.014552
"1042386"	51.004126	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2H"	2.014552
"213566"	67.6697426666667	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+3H"	3.021828
"649847"	101.000976	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+3H"	3.021828
"1169068"	34.3385093333333	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+3H"	3.021828
"429424"	218.021223	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+NH4"	18.033823
"788960"	318.014923	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+NH4"	18.033823
"1686384"	118.027523	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+NH4"	18.033823
"340130"	109.5142495	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+H+NH4"	19.041099
"731458"	159.5110995	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+H+NH4"	19.041099
"1486372"	59.5173995	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H+NH4"	19.041099
"398492"	222.976618	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+Na"	22.989218
"758395"	322.970318	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+Na"	22.989218
"1603334"	122.982918	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Na"	22.989218
"320910"	111.991947	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+H+Na"	23.996494
"718437"	161.988797	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+H+Na"	23.996494
"1474082"	61.995097	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H+Na"	23.996494
"1067575"	41.6658233333333	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2H+Na"	25.00377
"1269005"	133.027186	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+CH3OH+H"	33.033486
"389766"	238.950558	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+K"	38.963158
"747115"	338.944258	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+K"	38.963158
"1548076"	138.956858	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+K"	38.963158
"310720"	119.978917	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+H+K"	39.970434
"703869"	169.975767	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+H+K"	39.970434
"1459154"	69.982067	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H+K"	39.970434
"250308"	242.021226	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+ACN+H"	42.033826
"1222281"	142.027526	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+ACN+H"	42.033826
"1208239"	71.517401	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+ACN+2H"	43.041102
"202932"	244.95856	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+2Na-H"	44.97116
"643587"	344.95226	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+2Na-H"	44.97116
"1145628"	144.96486	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2Na-H"	44.97116
"186977"	122.982918	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+2Na"	45.978436
"625685"	172.979768	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+2Na"	45.978436
"1130047"	72.986068	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2Na"	45.978436
"1411994"	48.9931373333333	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H+2Na"	46.985712
"1441921"	147.006446	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H+HCOOH"	47.012746
"234047"	128.01594	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+3H2O+2H"	56.04448
"1516759"	161.05849	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+IsoProp+H"	61.06479
"420820"	130.969888	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+Na+K"	61.952376
"783150"	180.966738	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+Na+K"	61.952376
"1680574"	80.973038	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Na+K"	61.952376
"260288"	264.003168	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+ACN+Na"	64.015768
"1235184"	164.009468	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+ACN+Na"	64.015768
"1714228"	164.032993	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+NH4+HCOOH"	64.039293
"1182497"	56.3204513333333	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+3Na"	68.967654
"1650932"	168.988388	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Na+HCOOH"	68.994688
"157426"	276.90644	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+2K-H"	76.91904
"601733"	376.90014	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+2K-H"	76.91904
"1088070"	176.91274	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2K-H"	76.91904
"152543"	138.956858	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"2M+2K"	77.926316
"591739"	188.953708	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"3M+2K"	77.926316
"1080993"	88.960008	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2K"	77.926316
"1112743"	178.927292	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2K+H"	78.933592
"1337464"	179.014907	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+DMSO+H"	79.021207
"1013648"	183.054076	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2ACN+H"	83.060376
"1533963"	184.047708	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+IsoProp+Na+H"	84.054008
"998223"	92.030676	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+2ACN+2H"	84.067652
"1592727"	184.962328	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+K+HCOOH"	84.968628
"1423855"	214.993838	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+H+CF3COOH"	115.000138
"1160704"	112.543951	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+3ACN+2H"	125.094202
"1706976"	232.020385	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+NH4+CF3COOH"	132.026685
"1639344"	236.97578	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+Na+CF3COOH"	136.98208
"1575001"	252.94972	"C18588"	"Sodium fluoroacetate;Sodium monofluoroacetate"	"C2H2FO2Na"	"99.9937"	"M+K+CF3COOH"	152.95602
"809744"	300.1474	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M"	0
"989364"	281.12901	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-H2O-H"	-19.01839
"71520"	199.090990666667	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M-3H"	-3.021828
"513269"	299.140124	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M-3H"	-3.021828
"892163"	99.0418573333333	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-3H"	-3.021828
"9645"	299.140124	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M-2H"	-2.014552
"453213"	449.213824	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M-2H"	-2.014552
"829192"	149.066424	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-2H"	-2.014552
"88091"	599.287524	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M-H"	-1.007276
"530566"	899.434924	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M-H"	-1.007276
"902171"	299.140124	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-H"	-1.007276
"51079"	616.314071	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M-2H+NH4"	16.019271
"495015"	916.461471	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M-2H+NH4"	16.019271
"870631"	316.166671	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-2H+NH4"	16.019271
"40720"	621.269466	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M-2H+Na"	20.974666
"474812"	921.416866	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M-2H+Na"	20.974666
"849694"	321.122066	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-2H+Na"	20.974666
"1619956"	321.122066	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Na-2H"	20.974666
"95268"	317.128463	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M-H+Cl"	33.962126
"537141"	467.202163	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M-H+Cl"	33.962126
"933940"	167.054763	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-H+Cl"	33.962126
"270309"	635.264202	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+Cl"	34.969402
"663826"	935.411602	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+Cl"	34.969402
"1276226"	335.116802	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Cl"	34.969402
"18784"	637.243406	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M-2H+K"	36.948606
"460536"	937.390806	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M-2H+K"	36.948606
"838340"	337.096006	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-2H+K"	36.948606
"1558548"	337.096006	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+K-2H"	36.948606
"944605"	345.145594	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-H+HCOOH"	44.998194
"362581"	645.293001	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+HCOOH-H"	44.998201
"349626"	659.308651	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+Hac-H"	59.013851
"1493101"	359.161251	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Hac-H"	59.013851
"959189"	367.127551	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-H+NaCOOH"	66.980151
"116002"	335.116802	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+2Cl"	69.938804
"558845"	485.190502	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+2Cl"	69.938804
"1027645"	185.043102	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2Cl"	69.938804
"1247225"	379.066285	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Br"	78.918885
"1312960"	381.122272	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Cl+HCOOH"	80.974872
"1330456"	403.104229	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Cl+NaCOOH"	102.956829
"920420"	413.132986	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M-H+CF3COOH"	112.985586
"1296035"	449.109664	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Cl+CF3COOH"	148.962264
"1374195"	265.134724	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H-2H2O"	-35.012676
"1393880"	283.1447	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H-H2O"	-17.0027
"291381"	601.302076	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+H"	1.007276
"681617"	901.449476	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+H"	1.007276
"1361246"	301.154676	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H"	1.007276
"138509"	301.154676	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+2H"	2.014552
"578438"	451.228376	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+2H"	2.014552
"1042495"	151.080976	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2H"	2.014552
"210396"	201.105542666667	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+3H"	3.021828
"651412"	301.154676	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+3H"	3.021828
"1167717"	101.056409333333	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+3H"	3.021828
"424909"	618.328623	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+NH4"	18.033823
"790164"	918.476023	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+NH4"	18.033823
"1685765"	318.181223	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+NH4"	18.033823
"334773"	309.6679495	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+H+NH4"	19.041099
"723425"	459.7416495	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+H+NH4"	19.041099
"1478097"	159.5942495	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H+NH4"	19.041099
"395322"	623.284018	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+Na"	22.989218
"759600"	923.431418	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+Na"	22.989218
"1603686"	323.136618	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Na"	22.989218
"314337"	312.145647	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+H+Na"	23.996494
"712347"	462.219347	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+H+Na"	23.996494
"1468354"	162.071947	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H+Na"	23.996494
"1060507"	108.383723333333	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2H+Na"	25.00377
"1266562"	333.180886	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+CH3OH+H"	33.033486
"388419"	639.257958	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+K"	38.963158
"749048"	939.405358	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+K"	38.963158
"1554384"	339.110558	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+K"	38.963158
"310830"	320.132617	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+H+K"	39.970434
"706537"	470.206317	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+H+K"	39.970434
"1461289"	170.058917	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H+K"	39.970434
"251316"	642.328626	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+ACN+H"	42.033826
"1225071"	342.181226	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+ACN+H"	42.033826
"1209404"	171.594251	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+ACN+2H"	43.041102
"203529"	645.26596	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+2Na-H"	44.97116
"644144"	945.41336	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+2Na-H"	44.97116
"1146783"	345.11856	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2Na-H"	44.97116
"187826"	323.136618	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+2Na"	45.978436
"626523"	473.210318	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+2Na"	45.978436
"1127844"	173.062918	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2Na"	45.978436
"1412837"	115.711037333333	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H+2Na"	46.985712
"1440209"	347.160146	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H+HCOOH"	47.012746
"234886"	328.16964	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+3H2O+2H"	56.04448
"1521245"	361.21219	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+IsoProp+H"	61.06479
"419837"	331.123588	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+Na+K"	61.952376
"781924"	481.197288	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+Na+K"	61.952376
"1677160"	181.049888	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Na+K"	61.952376
"262586"	664.310568	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+ACN+Na"	64.015768
"1234199"	364.163168	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+ACN+Na"	64.015768
"1719809"	364.186693	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+NH4+HCOOH"	64.039293
"1188442"	123.038351333333	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+3Na"	68.967654
"1653230"	369.142088	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Na+HCOOH"	68.994688
"158509"	677.21384	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+2K-H"	76.91904
"602571"	977.36124	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+2K-H"	76.91904
"1088180"	377.06644	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2K-H"	76.91904
"152654"	339.110558	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"2M+2K"	77.926316
"590025"	489.184258	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"3M+2K"	77.926316
"1073450"	189.036858	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2K"	77.926316
"1109937"	379.080992	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2K+H"	78.933592
"1339759"	379.168607	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+DMSO+H"	79.021207
"1010475"	383.207776	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2ACN+H"	83.060376
"1529697"	384.201408	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+IsoProp+Na+H"	84.054008
"992864"	192.107526	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+2ACN+2H"	84.067652
"1588825"	385.116028	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+K+HCOOH"	84.968628
"1417402"	415.147538	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+H+CF3COOH"	115.000138
"1150972"	212.620801	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+3ACN+2H"	125.094202
"1705992"	432.174085	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+NH4+CF3COOH"	132.026685
"1635447"	437.12948	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+Na+CF3COOH"	136.98208
"1575111"	453.10342	"C18589"	"Bifenazate"	"C17H20N2O3"	"300.1474"	"M+K+CF3COOH"	152.95602
"812040"	217.0964	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M"	0
"989343"	198.07801	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-H2O-H"	-19.01839
"68350"	143.723657333333	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M-3H"	-3.021828
"512286"	216.089124	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M-3H"	-3.021828
"892273"	71.3581906666667	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-3H"	-3.021828
"10848"	216.089124	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M-2H"	-2.014552
"454416"	324.637324	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M-2H"	-2.014552
"829302"	107.540924	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-2H"	-2.014552
"88201"	433.185524	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M-H"	-1.007276
"531769"	650.281924	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M-H"	-1.007276
"902281"	216.089124	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-H"	-1.007276
"51553"	450.212071	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M-2H+NH4"	16.019271
"494032"	667.308471	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M-2H+NH4"	16.019271
"874021"	233.115671	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-2H+NH4"	16.019271
"40830"	455.167466	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M-2H+Na"	20.974666
"474922"	672.263866	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M-2H+Na"	20.974666
"851627"	238.071066	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-2H+Na"	20.974666
"1620433"	238.071066	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Na-2H"	20.974666
"95504"	234.077463	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M-H+Cl"	33.962126
"536887"	342.625663	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M-H+Cl"	33.962126
"930764"	125.529263	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-H+Cl"	33.962126
"269686"	469.162202	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+Cl"	34.969402
"662837"	686.258602	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+Cl"	34.969402
"1274876"	252.065802	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Cl"	34.969402
"17799"	471.141406	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M-2H+K"	36.948606
"463925"	688.237806	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M-2H+K"	36.948606
"837355"	254.045006	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-2H+K"	36.948606
"1559748"	254.045006	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+K-2H"	36.948606
"943987"	262.094594	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-H+HCOOH"	44.998194
"364026"	479.191001	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+HCOOH-H"	44.998201
"351922"	493.206651	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+Hac-H"	59.013851
"1493340"	276.110251	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Hac-H"	59.013851
"960032"	284.076551	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-H+NaCOOH"	66.980151
"117205"	252.065802	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+2Cl"	69.938804
"554581"	360.614002	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+2Cl"	69.938804
"1026661"	143.517602	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2Cl"	69.938804
"1244418"	296.015285	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Br"	78.918885
"1313065"	298.071272	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Cl+HCOOH"	80.974872
"1329472"	320.053229	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Cl+NaCOOH"	102.956829
"919435"	330.081986	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M-H+CF3COOH"	112.985586
"1300518"	366.058664	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Cl+CF3COOH"	148.962264
"1373211"	182.083724	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H-2H2O"	-35.012676
"1389616"	200.0937	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H-H2O"	-17.0027
"292584"	435.200076	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+H"	1.007276
"686101"	652.296476	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+H"	1.007276
"1364639"	218.103676	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H"	1.007276
"137895"	218.103676	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+2H"	2.014552
"577088"	326.651876	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+2H"	2.014552
"1041875"	109.555476	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2H"	2.014552
"212693"	145.738209333333	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+3H"	3.021828
"653346"	218.103676	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+3H"	3.021828
"1168194"	73.3727426666667	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+3H"	3.021828
"424902"	452.226623	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+NH4"	18.033823
"794649"	669.323023	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+NH4"	18.033823
"1686606"	235.130223	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+NH4"	18.033823
"334883"	226.6169495	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+H+NH4"	19.041099
"723657"	335.1651495	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+H+NH4"	19.041099
"1480031"	118.0687495	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H+NH4"	19.041099
"398712"	457.182018	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+Na"	22.989218
"760804"	674.278418	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+Na"	22.989218
"1604041"	240.085618	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Na"	22.989218
"314682"	229.094647	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+H+Na"	23.996494
"709176"	337.642847	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+H+Na"	23.996494
"1462750"	120.546447	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H+Na"	23.996494
"1058428"	80.7000566666667	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2H+Na"	25.00377
"1263388"	250.129886	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+CH3OH+H"	33.033486
"385245"	473.155958	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+K"	38.963158
"752437"	690.252358	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+K"	38.963158
"1553763"	256.059558	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+K"	38.963158
"313129"	237.081617	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+H+K"	39.970434
"707072"	345.629817	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+H+K"	39.970434
"1460545"	128.533417	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H+K"	39.970434
"251334"	476.226626	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+ACN+H"	42.033826
"1225524"	259.130226	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+ACN+H"	42.033826
"1209711"	130.068751	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+ACN+2H"	43.041102
"204237"	479.16396	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+2Na-H"	44.97116
"643895"	696.26036	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+2Na-H"	44.97116
"1143050"	262.06756	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2Na-H"	44.97116
"183424"	240.085618	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+2Na"	45.978436
"628414"	348.633818	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+2Na"	45.978436
"1131332"	131.537418	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2Na"	45.978436
"1413794"	88.0273706666667	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H+2Na"	46.985712
"1444328"	264.109146	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H+HCOOH"	47.012746
"234387"	245.11864	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+3H2O+2H"	56.04448
"1522448"	278.16119	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+IsoProp+H"	61.06479
"423104"	248.072588	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+Na+K"	61.952376
"784220"	356.620788	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+Na+K"	61.952376
"1675083"	139.524388	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Na+K"	61.952376
"262694"	498.208568	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+ACN+Na"	64.015768
"1233215"	281.112168	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+ACN+Na"	64.015768
"1719918"	281.135693	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+NH4+HCOOH"	64.039293
"1185271"	95.3546846666667	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+3Na"	68.967654
"1653340"	286.091088	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Na+HCOOH"	68.994688
"158739"	511.11184	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+2K-H"	76.91904
"599149"	728.20824	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+2K-H"	76.91904
"1086463"	294.01544	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2K-H"	76.91904
"153494"	256.059558	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"2M+2K"	77.926316
"590135"	364.607758	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"3M+2K"	77.926316
"1074654"	147.511358	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2K"	77.926316
"1107861"	296.029992	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2K+H"	78.933592
"1336216"	296.117607	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+DMSO+H"	79.021207
"1007427"	300.156776	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2ACN+H"	83.060376
"1527620"	301.150408	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+IsoProp+Na+H"	84.054008
"991514"	150.582026	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+2ACN+2H"	84.067652
"1588570"	302.065028	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+K+HCOOH"	84.968628
"1419699"	332.096538	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+H+CF3COOH"	115.000138
"1149623"	171.095301	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+3ACN+2H"	125.094202
"1707195"	349.123085	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+NH4+CF3COOH"	132.026685
"1635557"	354.07848	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+Na+CF3COOH"	136.98208
"1575221"	370.05242	"C18590"	"Pymetrozine"	"C10H11N5O"	"217.0964"	"M+K+CF3COOH"	152.95602
"812150"	374.1267	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M"	0
"989331"	355.10831	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-H2O-H"	-19.01839
"68460"	248.410524	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M-3H"	-3.021828
"512396"	373.119424	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M-3H"	-3.021828
"889104"	123.701624	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-3H"	-3.021828
"7679"	373.119424	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M-2H"	-2.014552
"448331"	560.182774	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M-2H"	-2.014552
"828320"	186.056074	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-2H"	-2.014552
"88311"	747.246124	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M-H"	-1.007276
"525685"	1121.372824	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M-H"	-1.007276
"901298"	373.119424	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-H"	-1.007276
"51299"	764.272671	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M-2H+NH4"	16.019271
"494142"	1138.399371	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M-2H+NH4"	16.019271
"874131"	390.145971	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-2H+NH4"	16.019271
"37660"	769.228066	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M-2H+Na"	20.974666
"475032"	1143.354766	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M-2H+Na"	20.974666
"851737"	395.101366	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-2H+Na"	20.974666
"1620179"	395.101366	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Na-2H"	20.974666
"94885"	391.107763	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M-H+Cl"	33.962126
"536268"	578.171113	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M-H+Cl"	33.962126
"929053"	204.044413	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-H+Cl"	33.962126
"267977"	783.222802	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+Cl"	34.969402
"664044"	1157.349502	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+Cl"	34.969402
"1274258"	409.096102	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Cl"	34.969402
"17912"	785.202006	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M-2H+K"	36.948606
"459661"	1159.328706	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M-2H+K"	36.948606
"835278"	411.075306	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-2H+K"	36.948606
"1557672"	411.075306	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+K-2H"	36.948606
"944462"	419.124894	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-H+HCOOH"	44.998194
"363772"	793.251601	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+HCOOH-H"	44.998201
"352032"	807.267251	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+Hac-H"	59.013851
"1492953"	433.140551	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Hac-H"	59.013851
"958684"	441.106851	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-H+NaCOOH"	66.980151
"115128"	409.096102	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+2Cl"	69.938804
"554691"	596.159452	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+2Cl"	69.938804
"1026771"	222.032752	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2Cl"	69.938804
"1247445"	453.045585	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Br"	78.918885
"1307706"	455.101572	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Cl+HCOOH"	80.974872
"1325202"	477.083529	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Cl+NaCOOH"	102.956829
"915171"	487.112286	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M-H+CF3COOH"	112.985586
"1291149"	523.088964	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Cl+CF3COOH"	148.962264
"1370040"	339.114024	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H-2H2O"	-35.012676
"1386446"	357.124	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H-H2O"	-17.0027
"294881"	749.260676	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+H"	1.007276
"682931"	1123.387376	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+H"	1.007276
"1365476"	375.133976	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H"	1.007276
"138735"	375.133976	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+2H"	2.014552
"577927"	562.197326	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+2H"	2.014552
"1041622"	188.070626	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2H"	2.014552
"212803"	250.425076	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+3H"	3.021828
"650176"	375.133976	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+3H"	3.021828
"1166481"	125.716176	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+3H"	3.021828
"425740"	766.287223	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+NH4"	18.033823
"794759"	1140.413923	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+NH4"	18.033823
"1686716"	392.160523	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+NH4"	18.033823
"333900"	383.6472495	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+H+NH4"	19.041099
"723039"	570.7105995	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+H+NH4"	19.041099
"1480141"	196.5838995	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H+NH4"	19.041099
"398822"	771.242618	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+Na"	22.989218
"762007"	1145.369318	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+Na"	22.989218
"1604029"	397.115918	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Na"	22.989218
"314467"	386.124947	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+H+Na"	23.996494
"710379"	573.188297	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+H+Na"	23.996494
"1465291"	199.061597	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H+Na"	23.996494
"1060725"	133.04349	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2H+Na"	25.00377
"1263136"	407.160186	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+CH3OH+H"	33.033486
"384261"	787.216558	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+K"	38.963158
"748173"	1161.343258	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+K"	38.963158
"1549498"	413.089858	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+K"	38.963158
"313604"	394.111917	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+H+K"	39.970434
"706719"	581.175267	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+H+K"	39.970434
"1459113"	207.048567	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H+K"	39.970434
"251050"	790.287226	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+ACN+H"	42.033826
"1225254"	416.160526	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+ACN+H"	42.033826
"1209786"	208.583901	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+ACN+2H"	43.041102
"204255"	793.22456	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+2Na-H"	44.97116
"644211"	1167.35126	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+2Na-H"	44.97116
"1143160"	419.09786	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2Na-H"	44.97116
"181710"	397.115918	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+2Na"	45.978436
"628490"	584.179268	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+2Na"	45.978436
"1130780"	210.052568	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2Na"	45.978436
"1414146"	140.370804	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H+2Na"	46.985712
"1442614"	421.139446	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H+HCOOH"	47.012746
"233768"	402.14894	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+3H2O+2H"	56.04448
"1521463"	435.19149	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+IsoProp+H"	61.06479
"421148"	405.102888	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+Na+K"	61.952376
"783237"	592.166238	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+Na+K"	61.952376
"1675193"	218.039538	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Na+K"	61.952376
"259525"	812.269168	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+ACN+Na"	64.015768
"1233326"	438.142468	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+ACN+Na"	64.015768
"1720028"	438.165993	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+NH4+HCOOH"	64.039293
"1185381"	147.698118	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+3Na"	68.967654
"1653814"	443.121388	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Na+HCOOH"	68.994688
"158851"	825.17244	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+2K-H"	76.91904
"598287"	1199.29914	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+2K-H"	76.91904
"1085723"	451.04574	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2K-H"	76.91904
"152511"	413.089858	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"2M+2K"	77.926316
"590245"	600.153208	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"3M+2K"	77.926316
"1074764"	226.026508	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2K"	77.926316
"1110158"	453.060292	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2K+H"	78.933592
"1336694"	453.147907	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+DMSO+H"	79.021207
"1007537"	457.187076	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2ACN+H"	83.060376
"1525420"	458.180708	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+IsoProp+Na+H"	84.054008
"990647"	229.097176	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+2ACN+2H"	84.067652
"1588680"	459.095328	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+K+HCOOH"	84.968628
"1417257"	489.126838	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+H+CF3COOH"	115.000138
"1149004"	249.610451	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+3ACN+2H"	125.094202
"1705118"	506.153385	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+NH4+CF3COOH"	132.026685
"1635667"	511.10878	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+Na+CF3COOH"	136.98208
"1575331"	527.08272	"C18591"	"Famoxadone"	"C22H18N2O4"	"374.1267"	"M+K+CF3COOH"	152.95602
"811167"	353.083	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M"	0
"987982"	334.06461	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-H2O-H"	-19.01839
"68570"	234.381390666667	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M-3H"	-3.021828
"510319"	352.075724	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M-3H"	-3.021828
"890307"	116.687057333333	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-3H"	-3.021828
"7789"	352.075724	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M-2H"	-2.014552
"448441"	528.617224	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M-2H"	-2.014552
"831226"	175.534224	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-2H"	-2.014552
"93771"	705.158724	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M-H"	-1.007276
"531993"	1058.241724	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M-H"	-1.007276
"903595"	352.075724	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-H"	-1.007276
"54689"	722.185271	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M-2H+NH4"	16.019271
"497532"	1075.268271	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M-2H+NH4"	16.019271
"873148"	369.102271	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-2H+NH4"	16.019271
"36676"	727.140666	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M-2H+Na"	20.974666
"477328"	1080.223666	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M-2H+Na"	20.974666
"856220"	374.057666	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-2H+Na"	20.974666
"1623931"	374.057666	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Na-2H"	20.974666
"99732"	370.064063	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M-H+Cl"	33.962126
"541842"	546.605563	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M-H+Cl"	33.962126
"934263"	193.522563	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-H+Cl"	33.962126
"274279"	741.135402	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+Cl"	34.969402
"664152"	1094.218402	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+Cl"	34.969402
"1277652"	388.052402	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Cl"	34.969402
"19114"	743.114606	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M-2H+K"	36.948606
"459772"	1096.197606	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M-2H+K"	36.948606
"834295"	390.031606	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-2H+K"	36.948606
"1556689"	390.031606	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+K-2H"	36.948606
"942990"	398.081194	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-H+HCOOH"	44.998194
"363152"	751.164201	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+HCOOH-H"	44.998201
"353237"	765.179851	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+Hac-H"	59.013851
"1496602"	412.096851	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Hac-H"	59.013851
"959037"	420.063151	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-H+NaCOOH"	66.980151
"119613"	388.052402	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+2Cl"	69.938804
"558081"	564.593902	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+2Cl"	69.938804
"1026881"	211.510902	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2Cl"	69.938804
"1250835"	432.001885	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Br"	78.918885
"1307816"	434.057872	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Cl+HCOOH"	80.974872
"1324218"	456.039829	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Cl+NaCOOH"	102.956829
"914188"	466.068586	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M-H+CF3COOH"	112.985586
"1290895"	502.045264	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Cl+CF3COOH"	148.962264
"1370150"	318.070324	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H-2H2O"	-35.012676
"1387649"	336.0803	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H-H2O"	-17.0027
"295721"	707.173276	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+H"	1.007276
"686321"	1060.256276	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+H"	1.007276
"1364856"	354.090276	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H"	1.007276
"138114"	354.090276	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+2H"	2.014552
"578403"	530.631776	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+2H"	2.014552
"1047199"	177.548776	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2H"	2.014552
"216193"	236.395942666667	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+3H"	3.021828
"658669"	354.090276	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+3H"	3.021828
"1168414"	118.701609333333	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+3H"	3.021828
"425853"	724.199823	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+NH4"	18.033823
"795963"	1077.282823	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+NH4"	18.033823
"1690106"	371.116823	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+NH4"	18.033823
"335103"	362.6035495	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+H+NH4"	19.041099
"726430"	539.1450495	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+H+NH4"	19.041099
"1485719"	186.0620495	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H+NH4"	19.041099
"402213"	729.155218	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+Na"	22.989218
"762118"	1082.238218	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+Na"	22.989218
"1603530"	376.072218	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Na"	22.989218
"314386"	365.081247	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+H+Na"	23.996494
"711582"	541.622747	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+H+Na"	23.996494
"1462121"	188.539747	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H+Na"	23.996494
"1058647"	126.028923333333	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2H+Na"	25.00377
"1266887"	386.116486	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+CH3OH+H"	33.033486
"386193"	745.129158	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+K"	38.963158
"747552"	1098.212158	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+K"	38.963158
"1551066"	392.046158	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+K"	38.963158
"312498"	373.068217	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+H+K"	39.970434
"706256"	549.609717	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+H+K"	39.970434
"1459225"	196.526717	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H+K"	39.970434
"250622"	748.199826	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+ACN+H"	42.033826
"1225279"	395.116826	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+ACN+H"	42.033826
"1207333"	198.062051	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+ACN+2H"	43.041102
"200568"	751.13716	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+2Na-H"	44.97116
"639035"	1104.22016	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+2Na-H"	44.97116
"1139624"	398.05416	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2Na-H"	44.97116
"184736"	376.072218	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+2Na"	45.978436
"626124"	552.613718	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+2Na"	45.978436
"1129270"	199.530718	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2Na"	45.978436
"1410607"	133.356237333333	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H+2Na"	46.985712
"1442727"	400.095746	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H+HCOOH"	47.012746
"229140"	381.10524	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+3H2O+2H"	56.04448
"1516104"	414.14779	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+IsoProp+H"	61.06479
"418707"	384.059188	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+Na+K"	61.952376
"781889"	560.600688	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+Na+K"	61.952376
"1676761"	207.517688	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Na+K"	61.952376
"261458"	770.181768	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+ACN+Na"	64.015768
"1226875"	417.098768	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+ACN+Na"	64.015768
"1717218"	417.122293	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+NH4+HCOOH"	64.039293
"1183668"	140.683551333333	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+3Na"	68.967654
"1654652"	422.077688	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Na+HCOOH"	68.994688
"159324"	783.08504	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+2K-H"	76.91904
"598521"	1136.16804	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+2K-H"	76.91904
"1085948"	430.00204	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2K-H"	76.91904
"144231"	392.046158	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"2M+2K"	77.926316
"587801"	568.587658	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"3M+2K"	77.926316
"1072687"	215.504658	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2K"	77.926316
"1109175"	432.016592	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2K+H"	78.933592
"1337537"	432.104207	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+DMSO+H"	79.021207
"1010807"	436.143376	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2ACN+H"	83.060376
"1524597"	437.137008	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+IsoProp+Na+H"	84.054008
"990070"	218.575326	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+2ACN+2H"	84.067652
"1589519"	438.051628	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+K+HCOOH"	84.968628
"1417367"	468.083138	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+H+CF3COOH"	115.000138
"1147656"	239.088601	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+3ACN+2H"	125.094202
"1698666"	485.109685	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+NH4+CF3COOH"	132.026685
"1636504"	490.06508	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+Na+CF3COOH"	136.98208
"1575441"	506.03902	"C18592"	"Pentoxazone"	"C17H17ClFNO4"	"353.083"	"M+K+CF3COOH"	152.95602
"809090"	301.0636	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M"	0
"988946"	282.04521	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-H2O-H"	-19.01839
"74148"	199.701790666667	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M-3H"	-3.021828
"515898"	300.056324	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M-3H"	-3.021828
"891511"	99.3472573333333	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-3H"	-3.021828
"8993"	300.056324	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M-2H"	-2.014552
"451831"	450.588124	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M-2H"	-2.014552
"832066"	149.524524	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-2H"	-2.014552
"93034"	601.119924	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M-H"	-1.007276
"530280"	902.183524	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M-H"	-1.007276
"909423"	300.056324	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-H"	-1.007276
"55893"	618.146471	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M-2H+NH4"	16.019271
"494362"	919.210071	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M-2H+NH4"	16.019271
"871071"	317.082871	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-2H+NH4"	16.019271
"37148"	623.101866	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M-2H+Na"	20.974666
"479622"	924.165466	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M-2H+Na"	20.974666
"855237"	322.038266	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-2H+Na"	20.974666
"1622948"	322.038266	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Na-2H"	20.974666
"102392"	318.044663	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M-H+Cl"	33.962126
"538676"	468.576463	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M-H+Cl"	33.962126
"933282"	167.512863	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-H+Cl"	33.962126
"271477"	637.096602	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+Cl"	34.969402
"663899"	938.160202	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+Cl"	34.969402
"1276304"	336.033002	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Cl"	34.969402
"20320"	639.075806	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M-2H+K"	36.948606
"458789"	940.139406	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M-2H+K"	36.948606
"835499"	338.012206	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-2H+K"	36.948606
"1556191"	338.012206	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+K-2H"	36.948606
"942919"	346.061794	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-H+HCOOH"	44.998194
"361639"	647.125401	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+HCOOH-H"	44.998201
"353347"	661.141051	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+Hac-H"	59.013851
"1496712"	360.077451	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Hac-H"	59.013851
"958656"	368.043751	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-H+NaCOOH"	66.980151
"118630"	336.033002	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+2Cl"	69.938804
"557098"	486.564802	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+2Cl"	69.938804
"1026991"	185.501202	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2Cl"	69.938804
"1250945"	379.982485	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Br"	78.918885
"1309019"	382.038472	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Cl+HCOOH"	80.974872
"1327608"	404.020429	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Cl+NaCOOH"	102.956829
"921948"	414.049186	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M-H+CF3COOH"	112.985586
"1292099"	450.025864	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Cl+CF3COOH"	148.962264
"1369407"	266.050924	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H-2H2O"	-35.012676
"1394322"	284.0609	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H-H2O"	-17.0027
"295102"	603.134476	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+H"	1.007276
"690076"	904.198076	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+H"	1.007276
"1363873"	302.070876	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H"	1.007276
"138954"	302.070876	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+2H"	2.014552
"578879"	452.602676	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+2H"	2.014552
"1049862"	151.539076	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2H"	2.014552
"217034"	201.716342666667	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+3H"	3.021828
"653677"	302.070876	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+3H"	3.021828
"1166699"	101.361809333333	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+3H"	3.021828
"427056"	620.161023	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+NH4"	18.033823
"797167"	921.224623	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+NH4"	18.033823
"1692404"	319.097423	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+NH4"	18.033823
"334120"	310.5841495	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+H+NH4"	19.041099
"730915"	461.1159495	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+H+NH4"	19.041099
"1489840"	160.0523495	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H+NH4"	19.041099
"402324"	625.116418	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+Na"	22.989218
"766238"	926.180018	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+Na"	22.989218
"1607045"	324.052818	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Na"	22.989218
"318176"	313.061847	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+H+Na"	23.996494
"709507"	463.593647	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+H+Na"	23.996494
"1469161"	162.530047	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H+Na"	23.996494
"1061676"	108.689123333333	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2H+Na"	25.00377
"1267366"	334.097086	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+CH3OH+H"	33.033486
"390681"	641.090358	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+K"	38.963158
"751676"	942.153958	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+K"	38.963158
"1553368"	340.026758	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+K"	38.963158
"313585"	321.048817	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+H+K"	39.970434
"706491"	471.580617	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+H+K"	39.970434
"1461169"	170.517017	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H+K"	39.970434
"251109"	644.161026	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+ACN+H"	42.033826
"1223560"	343.097426	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+ACN+H"	42.033826
"1209563"	172.052351	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+ACN+2H"	43.041102
"203612"	647.09836	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+2Na-H"	44.97116
"641698"	948.16196	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+2Na-H"	44.97116
"1144475"	346.03476	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2Na-H"	44.97116
"187286"	324.052818	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+2Na"	45.978436
"625875"	474.584618	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+2Na"	45.978436
"1128290"	173.521018	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2Na"	45.978436
"1411086"	116.016437333333	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H+2Na"	46.985712
"1441015"	348.076346	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H+HCOOH"	47.012746
"233261"	329.08584	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+3H2O+2H"	56.04448
"1522416"	362.12839	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+IsoProp+H"	61.06479
"422104"	332.039788	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+Na+K"	61.952376
"784192"	482.571588	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+Na+K"	61.952376
"1676510"	181.507988	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Na+K"	61.952376
"258652"	666.142968	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+ACN+Na"	64.015768
"1231723"	365.079368	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+ACN+Na"	64.015768
"1718789"	365.102893	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+NH4+HCOOH"	64.039293
"1184872"	123.343751333333	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+3Na"	68.967654
"1656587"	370.058288	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Na+HCOOH"	68.994688
"160164"	679.04624	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+2K-H"	76.91904
"600816"	980.10984	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+2K-H"	76.91904
"1086423"	377.98264	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2K-H"	76.91904
"143246"	340.026758	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"2M+2K"	77.926316
"588275"	490.558558	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"3M+2K"	77.926316
"1076078"	189.494958	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2K"	77.926316
"1114269"	379.997192	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2K+H"	78.933592
"1343116"	380.084807	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+DMSO+H"	79.021207
"1014199"	384.123976	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2ACN+H"	83.060376
"1525396"	385.117608	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+IsoProp+Na+H"	84.054008
"990749"	192.565626	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+2ACN+2H"	84.067652
"1591088"	386.032228	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+K+HCOOH"	84.968628
"1416019"	416.063738	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+H+CF3COOH"	115.000138
"1151412"	213.078901	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+3ACN+2H"	125.094202
"1704245"	433.090285	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+NH4+CF3COOH"	132.026685
"1636617"	438.04568	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+Na+CF3COOH"	136.98208
"1572266"	454.01962	"C18593"	"Fenhexamid"	"C14H17Cl2NO2"	"301.0636"	"M+K+CF3COOH"	152.95602
"816813"	262.0388	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M"	0
"989297"	243.02041	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-H2O-H"	-19.01839
"76450"	173.685257333333	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M-3H"	-3.021828
"517100"	261.031524	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M-3H"	-3.021828
"890529"	86.3389906666666	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-3H"	-3.021828
"8010"	261.031524	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M-2H"	-2.014552
"454984"	392.050924	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M-2H"	-2.014552
"832469"	130.012124	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-2H"	-2.014552
"93277"	523.070324	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M-H"	-1.007276
"532332"	785.109124	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M-H"	-1.007276
"909284"	261.031524	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-H"	-1.007276
"56004"	540.096871	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M-2H+NH4"	16.019271
"502421"	802.135671	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M-2H+NH4"	16.019271
"878473"	278.058071	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-2H+NH4"	16.019271
"40176"	545.052266	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M-2H+Na"	20.974666
"479735"	807.091066	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M-2H+Na"	20.974666
"857537"	283.013466	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-2H+Na"	20.974666
"1629257"	283.013466	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Na-2H"	20.974666
"103597"	279.019863	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M-H+Cl"	33.962126
"538057"	410.039263	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M-H+Cl"	33.962126
"932299"	148.000463	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-H+Cl"	33.962126
"273046"	559.047002	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+Cl"	34.969402
"664739"	821.085802	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+Cl"	34.969402
"1277143"	297.008202	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Cl"	34.969402
"23710"	561.026206	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M-2H+K"	36.948606
"458900"	823.065006	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M-2H+K"	36.948606
"834638"	298.987406	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-2H+K"	36.948606
"1557275"	298.987406	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+K-2H"	36.948606
"949170"	307.036994	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-H+HCOOH"	44.998194
"368479"	569.075801	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+HCOOH-H"	44.998201
"348352"	583.091451	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+Hac-H"	59.013851
"1494999"	321.052651	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Hac-H"	59.013851
"963271"	329.018951	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-H+NaCOOH"	66.980151
"122021"	297.008202	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+2Cl"	69.938804
"565393"	428.027602	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+2Cl"	69.938804
"1031475"	165.988802	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2Cl"	69.938804
"1251054"	340.957685	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Br"	78.918885
"1311318"	343.013672	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Cl+HCOOH"	80.974872
"1326625"	364.995629	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Cl+NaCOOH"	102.956829
"915498"	375.024386	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M-H+CF3COOH"	112.985586
"1294397"	411.001064	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Cl+CF3COOH"	148.962264
"1371465"	227.026124	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H-2H2O"	-35.012676
"1392244"	245.0361	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H-H2O"	-17.0027
"293024"	525.084876	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+H"	1.007276
"683258"	787.123676	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+H"	1.007276
"1363982"	263.046076	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H"	1.007276
"139792"	263.046076	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+2H"	2.014552
"579352"	394.065476	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+2H"	2.014552
"1047419"	132.026676	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2H"	2.014552
"218236"	175.699809333333	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+3H"	3.021828
"657433"	263.046076	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+3H"	3.021828
"1171914"	88.3535426666667	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+3H"	3.021828
"427895"	542.111423	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+NH4"	18.033823
"798370"	804.150223	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+NH4"	18.033823
"1692513"	280.072623	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+NH4"	18.033823
"341888"	271.5593495	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+H+NH4"	19.041099
"734307"	402.5787495	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+H+NH4"	19.041099
"1491413"	140.5399495	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H+NH4"	19.041099
"406808"	547.066818	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+Na"	22.989218
"766712"	809.105618	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+Na"	22.989218
"1606062"	285.028018	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Na"	22.989218
"317193"	274.037047	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+H+Na"	23.996494
"709616"	405.056447	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+H+Na"	23.996494
"1468905"	143.017647	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H+Na"	23.996494
"1059965"	95.6808566666667	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2H+Na"	25.00377
"1267114"	295.072286	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+CH3OH+H"	33.033486
"386784"	563.040758	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+K"	38.963158
"749965"	825.079558	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+K"	38.963158
"1553477"	301.001958	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+K"	38.963158
"311746"	282.024017	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+H+K"	39.970434
"706602"	413.043417	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+H+K"	39.970434
"1461036"	151.004617	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H+K"	39.970434
"251387"	566.111426	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+ACN+H"	42.033826
"1225299"	304.072626	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+ACN+H"	42.033826
"1209148"	152.539951	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+ACN+2H"	43.041102
"203113"	569.04876	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+2Na-H"	44.97116
"643645"	831.08756	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+2Na-H"	44.97116
"1145935"	307.00996	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2Na-H"	44.97116
"187887"	285.028018	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+2Na"	45.978436
"626349"	416.047418	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+2Na"	45.978436
"1126579"	154.008618	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2Na"	45.978436
"1410832"	103.008170666667	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H+2Na"	46.985712
"1442948"	309.051546	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H+HCOOH"	47.012746
"232643"	290.06104	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+3H2O+2H"	56.04448
"1522166"	323.10359	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+IsoProp+H"	61.06479
"422580"	293.014988	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+Na+K"	61.952376
"783940"	424.034388	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+Na+K"	61.952376
"1679174"	161.995588	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Na+K"	61.952376
"266060"	588.093368	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+ACN+Na"	64.015768
"1240590"	326.054568	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+ACN+Na"	64.015768
"1722183"	326.078093	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+NH4+HCOOH"	64.039293
"1184618"	110.335484666667	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+3Na"	68.967654
"1659616"	331.033488	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Na+HCOOH"	68.994688
"166840"	600.99664	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+2K-H"	76.91904
"603119"	863.03544	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+2K-H"	76.91904
"1085444"	338.95784	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2K-H"	76.91904
"146638"	301.001958	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"2M+2K"	77.926316
"592763"	432.021358	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"3M+2K"	77.926316
"1077281"	169.982558	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2K"	77.926316
"1109397"	340.972392	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2K+H"	78.933592
"1345050"	341.060007	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+DMSO+H"	79.021207
"1015403"	345.099176	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2ACN+H"	83.060376
"1526966"	346.092808	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+IsoProp+Na+H"	84.054008
"991226"	173.053226	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+2ACN+2H"	84.067652
"1591198"	347.007428	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+K+HCOOH"	84.968628
"1421234"	377.038938	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+H+CF3COOH"	115.000138
"1151523"	193.566501	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+3ACN+2H"	125.094202
"1698887"	394.065485	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+NH4+CF3COOH"	132.026685
"1634539"	399.02088	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+Na+CF3COOH"	136.98208
"1571402"	414.99482	"C18594"	"Bentazone-sodium"	"C10H11N2O3SNa"	"262.0388"	"M+K+CF3COOH"	152.95602
"809310"	426.1403	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M"	0
"989245"	407.12191	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-H2O-H"	-19.01839
"72181"	283.086257333333	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M-3H"	-3.021828
"516118"	425.133024	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M-3H"	-3.021828
"886265"	141.039490666667	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-3H"	-3.021828
"4840"	425.133024	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M-2H"	-2.014552
"454240"	638.203174	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M-2H"	-2.014552
"832042"	212.062874	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-2H"	-2.014552
"93857"	851.273324	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M-H"	-1.007276
"529406"	1277.413624	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M-H"	-1.007276
"907208"	425.133024	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-H"	-1.007276
"55020"	868.299871	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M-2H+NH4"	16.019271
"500052"	1294.440171	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M-2H+NH4"	16.019271
"872386"	442.159571	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-2H+NH4"	16.019271
"38099"	873.255266	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M-2H+Na"	20.974666
"479845"	1299.395566	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M-2H+Na"	20.974666
"862020"	447.114966	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-2H+Na"	20.974666
"1629366"	447.114966	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Na-2H"	20.974666
"101519"	443.121363	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M-H+Cl"	33.962126
"536345"	656.191513	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M-H+Cl"	33.962126
"932044"	230.051213	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-H+Cl"	33.962126
"270970"	887.250002	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+Cl"	34.969402
"664485"	1313.390302	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+Cl"	34.969402
"1276890"	461.109702	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Cl"	34.969402
"17623"	889.229206	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M-2H+K"	36.948606
"458032"	1315.369506	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M-2H+K"	36.948606
"833047"	463.088906	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-2H+K"	36.948606
"1557386"	463.088906	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+K-2H"	36.948606
"949280"	471.138494	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-H+HCOOH"	44.998194
"368590"	897.278801	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+HCOOH-H"	44.998201
"348098"	911.294451	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+Hac-H"	59.013851
"1494015"	485.154151	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Hac-H"	59.013851
"961557"	493.120451	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-H+NaCOOH"	66.980151
"116663"	461.109702	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+2Cl"	69.938804
"565424"	674.179852	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+2Cl"	69.938804
"1035960"	248.039552	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2Cl"	69.938804
"1251164"	505.059185	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Br"	78.918885
"1313615"	507.115172	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Cl+HCOOH"	80.974872
"1325643"	529.097129	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Cl+NaCOOH"	102.956829
"916701"	539.125886	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M-H+CF3COOH"	112.985586
"1294507"	575.102564	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Cl+CF3COOH"	148.962264
"1369751"	391.127624	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H-2H2O"	-35.012676
"1388342"	409.1376	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H-H2O"	-17.0027
"293134"	853.287876	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+H"	1.007276
"687744"	1279.428176	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+H"	1.007276
"1364098"	427.147576	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H"	1.007276
"141241"	427.147576	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+2H"	2.014552
"580556"	640.217726	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+2H"	2.014552
"1049718"	214.077426	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2H"	2.014552
"217618"	285.100809333333	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+3H"	3.021828
"657178"	427.147576	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+3H"	3.021828
"1169838"	143.054042666667	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+3H"	3.021828
"426912"	870.314423	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+NH4"	18.033823
"790825"	1296.454723	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+NH4"	18.033823
"1691531"	444.174123	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+NH4"	18.033823
"342730"	435.6608495	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+H+NH4"	19.041099
"733325"	648.7309995	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+H+NH4"	19.041099
"1491526"	222.5906995	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H+NH4"	19.041099
"404732"	875.269818	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+Na"	22.989218
"769012"	1301.410118	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+Na"	22.989218
"1608358"	449.129518	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Na"	22.989218
"320583"	438.138547	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+H+Na"	23.996494
"709727"	651.208697	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+H+Na"	23.996494
"1471203"	225.068397	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H+Na"	23.996494
"1058983"	150.381356666667	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2H+Na"	25.00377
"1266131"	459.173786	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+CH3OH+H"	33.033486
"386894"	891.243758	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+K"	38.963158
"748982"	1317.384058	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+K"	38.963158
"1553586"	465.103458	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+K"	38.963158
"313639"	446.125517	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+H+K"	39.970434
"706919"	659.195667	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+H+K"	39.970434
"1461070"	233.055367	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H+K"	39.970434
"251286"	894.314426	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+ACN+H"	42.033826
"1225244"	468.174126	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+ACN+H"	42.033826
"1209418"	234.590701	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+ACN+2H"	43.041102
"204227"	897.25176	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+2Na-H"	44.97116
"644184"	1323.39206	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+2Na-H"	44.97116
"1146936"	471.11146	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2Na-H"	44.97116
"187632"	449.129518	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+2Na"	45.978436
"627553"	662.199668	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+2Na"	45.978436
"1129240"	236.059368	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2Na"	45.978436
"1411305"	157.708670666667	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H+2Na"	46.985712
"1442328"	473.153046	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H+HCOOH"	47.012746
"229471"	454.16254	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+3H2O+2H"	56.04448
"1523245"	487.20509	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+IsoProp+H"	61.06479
"421232"	457.116488	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+Na+K"	61.952376
"784053"	670.186638	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+Na+K"	61.952376
"1677828"	244.046338	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Na+K"	61.952376
"265075"	916.296368	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+ACN+Na"	64.015768
"1238510"	490.156068	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+ACN+Na"	64.015768
"1721562"	490.179593	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+NH4+HCOOH"	64.039293
"1187646"	165.035984666667	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+3Na"	68.967654
"1655716"	495.134988	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Na+HCOOH"	68.994688
"167679"	929.19964	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+2K-H"	76.91904
"607238"	1355.33994	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+2K-H"	76.91904
"1093209"	503.05934	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2K-H"	76.91904
"146745"	465.103458	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"2M+2K"	77.926316
"588495"	678.173608	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"3M+2K"	77.926316
"1077391"	252.033308	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2K"	77.926316
"1110601"	505.073892	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2K+H"	78.933592
"1346980"	505.161507	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+DMSO+H"	79.021207
"1013327"	509.200676	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2ACN+H"	83.060376
"1527076"	510.194308	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+IsoProp+Na+H"	84.054008
"1000086"	255.103976	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+2ACN+2H"	84.067652
"1591309"	511.108928	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+K+HCOOH"	84.968628
"1415146"	541.140438	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+H+CF3COOH"	115.000138
"1152725"	275.617251	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+3ACN+2H"	125.094202
"1698997"	558.166985	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+NH4+CF3COOH"	132.026685
"1635744"	563.12238	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+Na+CF3COOH"	136.98208
"1571472"	579.09632	"C18595"	"Fluacrypyrim"	"C20H21F3N2O5"	"426.1403"	"M+K+CF3COOH"	152.95602
"811607"	526.078	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M"	0
"989278"	507.05961	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-H2O-H"	-19.01839
"77727"	349.711390666667	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M-3H"	-3.021828
"515134"	525.070724	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M-3H"	-3.021828
"890749"	174.352057333333	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-3H"	-3.021828
"8230"	525.070724	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M-2H"	-2.014552
"454352"	788.109724	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M-2H"	-2.014552
"831064"	262.031724	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-2H"	-2.014552
"92144"	1051.148724	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M-H"	-1.007276
"532798"	1577.226724	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M-H"	-1.007276
"907318"	525.070724	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-H"	-1.007276
"58412"	1068.175271	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M-2H+NH4"	16.019271
"500162"	1594.253271	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M-2H+NH4"	16.019271
"872496"	542.097271	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-2H+NH4"	16.019271
"39302"	1073.130666	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M-2H+Na"	20.974666
"479955"	1599.208666	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M-2H+Na"	20.974666
"858850"	547.052666	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-2H+Na"	20.974666
"1629476"	547.052666	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Na-2H"	20.974666
"101631"	543.059063	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M-H+Cl"	33.962126
"536457"	806.098063	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M-H+Cl"	33.962126
"930336"	280.020063	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-H+Cl"	33.962126
"274360"	1087.125402	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+Cl"	34.969402
"665689"	1613.203402	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+Cl"	34.969402
"1277000"	561.047402	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Cl"	34.969402
"18097"	1089.104606	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M-2H+K"	36.948606
"456932"	1615.182606	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M-2H+K"	36.948606
"839111"	563.026606	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-2H+K"	36.948606
"1559319"	563.026606	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+K-2H"	36.948606
"951577"	571.076194	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-H+HCOOH"	44.998194
"372710"	1097.154201	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+HCOOH-H"	44.998201
"354768"	1111.169851	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+Hac-H"	59.013851
"1494125"	585.091851	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Hac-H"	59.013851
"961667"	593.058151	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-H+NaCOOH"	66.980151
"116773"	561.047402	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+2Cl"	69.938804
"560708"	824.086402	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+2Cl"	69.938804
"1032788"	298.008402	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2Cl"	69.938804
"1251272"	604.996885	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Br"	78.918885
"1313722"	607.052872	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Cl+HCOOH"	80.974872
"1326848"	629.034829	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Cl+NaCOOH"	102.956829
"917905"	639.063586	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M-H+CF3COOH"	112.985586
"1294981"	675.040264	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Cl+CF3COOH"	148.962264
"1369861"	491.065324	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H-2H2O"	-35.012676
"1389182"	509.0753	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H-H2O"	-17.0027
"296162"	1053.163276	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+H"	1.007276
"688951"	1579.241276	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+H"	1.007276
"1363113"	527.085276	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H"	1.007276
"139282"	527.085276	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+2H"	2.014552
"575926"	790.124276	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+2H"	2.014552
"1046544"	264.046276	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2H"	2.014552
"215175"	351.725942666667	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+3H"	3.021828
"651819"	527.085276	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+3H"	3.021828
"1165205"	176.366609333333	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+3H"	3.021828
"426658"	1070.189823	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+NH4"	18.033823
"790935"	1596.267823	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+NH4"	18.033823
"1689453"	544.111823	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+NH4"	18.033823
"338827"	535.5985495	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+H+NH4"	19.041099
"734527"	798.6375495	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+H+NH4"	19.041099
"1491271"	272.5595495	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H+NH4"	19.041099
"407394"	1075.145218	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+Na"	22.989218
"768997"	1601.223218	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+Na"	22.989218
"1610657"	549.067218	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Na"	22.989218
"325070"	538.076247	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+H+Na"	23.996494
"713117"	801.115247	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+H+Na"	23.996494
"1471313"	275.037247	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H+Na"	23.996494
"1060185"	183.693923333333	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2H+Na"	25.00377
"1264052"	559.111486	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+CH3OH+H"	33.033486
"385907"	1091.119158	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+K"	38.963158
"752009"	1617.197158	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+K"	38.963158
"1551144"	565.041158	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+K"	38.963158
"313669"	546.063217	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+H+K"	39.970434
"705845"	809.102217	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+H+K"	39.970434
"1455654"	283.024217	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H+K"	39.970434
"250576"	1094.189826	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+ACN+H"	42.033826
"1225518"	568.111826	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+ACN+H"	42.033826
"1209565"	284.559551	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+ACN+2H"	43.041102
"202468"	1097.12716	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+2Na-H"	44.97116
"638747"	1623.20516	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+2Na-H"	44.97116
"1145177"	571.04916	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2Na-H"	44.97116
"184086"	549.067218	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+2Na"	45.978436
"625108"	812.106218	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+2Na"	45.978436
"1128255"	286.028218	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2Na"	45.978436
"1410687"	191.021237333333	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H+2Na"	46.985712
"1442803"	573.090746	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H+HCOOH"	47.012746
"229579"	554.10024	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+3H2O+2H"	56.04448
"1519467"	587.14279	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+IsoProp+H"	61.06479
"419517"	557.054188	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+Na+K"	61.952376
"783066"	820.093188	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+Na+K"	61.952376
"1675380"	294.015188	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Na+K"	61.952376
"260443"	1116.171768	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+ACN+Na"	64.015768
"1230597"	590.093768	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+ACN+Na"	64.015768
"1718392"	590.117293	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+NH4+HCOOH"	64.039293
"1184476"	198.348551333333	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+3Na"	68.967654
"1653636"	595.072688	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Na+HCOOH"	68.994688
"161591"	1129.07504	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+2K-H"	76.91904
"601151"	1655.15304	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+2K-H"	76.91904
"1092225"	602.99704	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2K-H"	76.91904
"142481"	565.041158	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"2M+2K"	77.926316
"588605"	828.080158	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"3M+2K"	77.926316
"1084149"	302.002158	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2K"	77.926316
"1115333"	605.011592	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2K+H"	78.933592
"1350942"	605.099207	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+DMSO+H"	79.021207
"1016717"	609.138376	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2ACN+H"	83.060376
"1530467"	610.132008	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+IsoProp+Na+H"	84.054008
"1000197"	305.072826	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+2ACN+2H"	84.067652
"1594699"	611.046628	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+K+HCOOH"	84.968628
"1417081"	641.078138	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+H+CF3COOH"	115.000138
"1149557"	325.586101	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+3ACN+2H"	125.094202
"1698014"	658.104685	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+NH4+CF3COOH"	132.026685
"1644602"	663.06008	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+Na+CF3COOH"	136.98208
"1571503"	679.03402	"C18596"	"Bromadiolone"	"C30H23BrO4"	"526.078"	"M+K+CF3COOH"	152.95602
"807344"	219.9694	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M"	0
"989021"	200.95101	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-H2O-H"	-19.01839
"74587"	145.638990666667	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M-3H"	-3.021828
"517067"	218.962124	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M-3H"	-3.021828
"891952"	72.3158573333333	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-3H"	-3.021828
"13808"	218.962124	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M-2H"	-2.014552
"454096"	328.946824	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M-2H"	-2.014552
"831901"	108.977424	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-2H"	-2.014552
"92133"	438.931524	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M-H"	-1.007276
"532425"	658.900924	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M-H"	-1.007276
"908521"	218.962124	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-H"	-1.007276
"61320"	455.958071	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M-2H+NH4"	16.019271
"498086"	675.927471	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M-2H+NH4"	16.019271
"870419"	235.988671	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-2H+NH4"	16.019271
"39412"	460.913466	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M-2H+Na"	20.974666
"481158"	680.882866	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M-2H+Na"	20.974666
"861147"	240.944066	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-2H+Na"	20.974666
"1629586"	240.944066	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Na-2H"	20.974666
"99920"	236.950463	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M-H+Cl"	33.962126
"538024"	346.935163	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M-H+Cl"	33.962126
"932633"	126.965763	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-H+Cl"	33.962126
"271190"	474.908202	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+Cl"	34.969402
"666895"	694.877602	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+Cl"	34.969402
"1277110"	254.938802	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Cl"	34.969402
"20761"	476.887406	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M-2H+K"	36.948606
"456312"	696.856806	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M-2H+K"	36.948606
"834846"	256.918006	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-2H+K"	36.948606
"1560523"	256.918006	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+K-2H"	36.948606
"951687"	264.967594	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-H+HCOOH"	44.998194
"372089"	484.937001	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+HCOOH-H"	44.998201
"349046"	498.952651	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+Hac-H"	59.013851
"1494963"	278.983251	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Hac-H"	59.013851
"962141"	286.949551	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-H+NaCOOH"	66.980151
"120164"	254.938802	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+2Cl"	69.938804
"560818"	364.923502	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+2Cl"	69.938804
"1029618"	144.954102	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2Cl"	69.938804
"1251382"	298.888285	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Br"	78.918885
"1310552"	300.944272	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Cl+HCOOH"	80.974872
"1324772"	322.926229	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Cl+NaCOOH"	102.956829
"916922"	332.954986	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M-H+CF3COOH"	112.985586
"1295819"	368.931664	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Cl+CF3COOH"	148.962264
"1372890"	184.956724	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H-2H2O"	-35.012676
"1390385"	202.9667	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H-H2O"	-17.0027
"296637"	440.946076	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+H"	1.007276
"689060"	660.915476	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+H"	1.007276
"1365411"	220.976676	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H"	1.007276
"140123"	220.976676	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+2H"	2.014552
"576036"	330.961376	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+2H"	2.014552
"1049817"	110.991976	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2H"	2.014552
"217475"	147.653542666667	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+3H"	3.021828
"656670"	220.976676	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+3H"	3.021828
"1164952"	74.3304093333333	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+3H"	3.021828
"426770"	457.972623	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+NH4"	18.033823
"789223"	677.942023	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+NH4"	18.033823
"1690658"	238.003223	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+NH4"	18.033823
"338937"	229.4899495	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+H+NH4"	19.041099
"732452"	339.4746495	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+H+NH4"	19.041099
"1491383"	119.5052495	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H+NH4"	19.041099
"406412"	462.928018	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+Na"	22.989218
"768747"	682.897418	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+Na"	22.989218
"1613320"	242.958618	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Na"	22.989218
"325910"	231.967647	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+H+Na"	23.996494
"714321"	341.952347	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+H+Na"	23.996494
"1467050"	121.982947	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H+Na"	23.996494
"1057017"	81.6577233333333	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2H+Na"	25.00377
"1260884"	253.002886	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+CH3OH+H"	33.033486
"384924"	478.901958	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+K"	38.963158
"750661"	698.871358	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+K"	38.963158
"1552349"	258.932558	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+K"	38.963158
"310983"	239.954617	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+H+K"	39.970434
"698664"	349.939317	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+H+K"	39.970434
"1457952"	129.969917	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H+K"	39.970434
"248741"	481.972626	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+ACN+H"	42.033826
"1225493"	262.003226	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+ACN+H"	42.033826
"1209589"	131.505251	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+ACN+2H"	43.041102
"202336"	484.90996	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+2Na-H"	44.97116
"641409"	704.87936	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+2Na-H"	44.97116
"1145896"	264.94056	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2Na-H"	44.97116
"184925"	242.958618	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+2Na"	45.978436
"626678"	352.943318	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+2Na"	45.978436
"1129945"	132.973918	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2Na"	45.978436
"1412985"	88.9850373333333	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H+2Na"	46.985712
"1441090"	266.982146	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H+HCOOH"	47.012746
"232608"	247.99164	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+3H2O+2H"	56.04448
"1521036"	281.03419	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+IsoProp+H"	61.06479
"419991"	250.945588	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+Na+K"	61.952376
"780255"	360.930288	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+Na+K"	61.952376
"1675492"	140.960888	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Na+K"	61.952376
"259093"	503.954568	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+ACN+Na"	64.015768
"1237271"	283.985168	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+ACN+Na"	64.015768
"1723606"	284.008693	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+NH4+HCOOH"	64.039293
"1182033"	96.3123513333333	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+3Na"	68.967654
"1651921"	288.964088	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Na+HCOOH"	68.994688
"164981"	516.85784	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+2K-H"	76.91904
"600893"	736.82724	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+2K-H"	76.91904
"1085528"	296.88844	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2K-H"	76.91904
"142592"	258.932558	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"2M+2K"	77.926316
"588716"	368.917258	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"3M+2K"	77.926316
"1084060"	148.947858	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2K"	77.926316
"1115558"	298.902992	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2K+H"	78.933592
"1350970"	298.990607	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+DMSO+H"	79.021207
"1016827"	303.029776	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2ACN+H"	83.060376
"1531670"	304.023408	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+IsoProp+Na+H"	84.054008
"997027"	152.018526	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+2ACN+2H"	84.067652
"1592622"	304.938028	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+K+HCOOH"	84.968628
"1418284"	334.969538	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+H+CF3COOH"	115.000138
"1157320"	172.531801	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+3ACN+2H"	125.094202
"1699217"	351.996085	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+NH4+CF3COOH"	132.026685
"1637056"	356.95148	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+Na+CF3COOH"	136.98208
"1571977"	372.92542	"C18597"	"Dicamba"	"C8H6Cl2O3"	"219.9694"	"M+K+CF3COOH"	152.95602
"808548"	305.1376	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M"	0
"986455"	286.11921	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-H2O-H"	-19.01839
"64127"	202.417790666667	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M-3H"	-3.021828
"507696"	304.130324	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M-3H"	-3.021828
"889872"	100.705257333333	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-3H"	-3.021828
"5167"	304.130324	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M-2H"	-2.014552
"449100"	456.699124	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M-2H"	-2.014552
"826901"	151.561524	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-2H"	-2.014552
"89081"	609.267924	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M-H"	-1.007276
"527548"	914.405524	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M-H"	-1.007276
"904257"	304.130324	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-H"	-1.007276
"58638"	626.294471	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M-2H+NH4"	16.019271
"498196"	931.432071	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M-2H+NH4"	16.019271
"875634"	321.156871	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-2H+NH4"	16.019271
"40618"	631.249866	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M-2H+Na"	20.974666
"479082"	936.387466	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M-2H+Na"	20.974666
"857976"	326.112266	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-2H+Na"	20.974666
"1625687"	326.112266	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Na-2H"	20.974666
"102944"	322.118663	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M-H+Cl"	33.962126
"538497"	474.687463	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M-H+Cl"	33.962126
"932012"	169.549863	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-H+Cl"	33.962126
"268144"	645.244602	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+Cl"	34.969402
"661659"	950.382202	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+Cl"	34.969402
"1274186"	340.107002	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Cl"	34.969402
"15859"	647.223806	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M-2H+K"	36.948606
"458249"	952.361406	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M-2H+K"	36.948606
"832941"	342.086206	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-2H+K"	36.948606
"1556624"	342.086206	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+K-2H"	36.948606
"948517"	350.135794	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-H+HCOOH"	44.998194
"366734"	655.273401	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+HCOOH-H"	44.998201
"353895"	669.289051	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+Hac-H"	59.013851
"1496168"	364.151451	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Hac-H"	59.013851
"962618"	372.117751	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-H+NaCOOH"	66.980151
"112618"	340.107002	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+2Cl"	69.938804
"555459"	492.675802	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+2Cl"	69.938804
"1027541"	187.538202	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2Cl"	69.938804
"1249308"	384.056485	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Br"	78.918885
"1316130"	386.112472	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Cl+HCOOH"	80.974872
"1324879"	408.094429	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Cl+NaCOOH"	102.956829
"917031"	418.123186	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M-H+CF3COOH"	112.985586
"1289368"	454.099864	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Cl+CF3COOH"	148.962264
"1374093"	270.124924	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H-2H2O"	-35.012676
"1385393"	288.1349	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H-H2O"	-17.0027
"296387"	611.282476	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+H"	1.007276
"689536"	916.420076	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+H"	1.007276
"1363335"	306.144876	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H"	1.007276
"136952"	306.144876	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+2H"	2.014552
"577970"	458.713676	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+2H"	2.014552
"1046765"	153.576076	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2H"	2.014552
"214666"	204.432342666667	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+3H"	3.021828
"650948"	306.144876	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+3H"	3.021828
"1165304"	102.719809333333	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+3H"	3.021828
"427608"	628.309023	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+NH4"	18.033823
"798457"	933.446623	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+NH4"	18.033823
"1695514"	323.171423	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+NH4"	18.033823
"343429"	314.6581495	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+H+NH4"	19.041099
"736944"	467.2269495	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+H+NH4"	19.041099
"1491492"	162.0893495	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H+NH4"	19.041099
"407378"	633.264418	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+Na"	22.989218
"768619"	938.402018	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+Na"	22.989218
"1616710"	328.126818	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Na"	22.989218
"326748"	317.135847	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+H+Na"	23.996494
"714429"	469.704647	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+H+Na"	23.996494
"1468256"	164.567047	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H+Na"	23.996494
"1064781"	110.047123333333	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2H+Na"	25.00377
"1270105"	338.171086	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+CH3OH+H"	33.033486
"387219"	649.238358	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+K"	38.963158
"750770"	954.375958	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+K"	38.963158
"1552090"	344.100758	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+K"	38.963158
"313160"	325.122817	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+H+K"	39.970434
"705337"	477.691617	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+H+K"	39.970434
"1460615"	172.554017	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H+K"	39.970434
"250923"	652.309026	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+ACN+H"	42.033826
"1224355"	347.171426	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+ACN+H"	42.033826
"1209334"	174.089351	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+ACN+2H"	43.041102
"203547"	655.24636	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+2Na-H"	44.97116
"642128"	960.38396	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+2Na-H"	44.97116
"1143930"	350.10876	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2Na-H"	44.97116
"186984"	328.126818	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+2Na"	45.978436
"626064"	480.695618	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+2Na"	45.978436
"1128106"	175.558018	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2Na"	45.978436
"1412002"	117.374437333333	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H+2Na"	46.985712
"1442657"	352.150346	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H+HCOOH"	47.012746
"232358"	333.15984	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+3H2O+2H"	56.04448
"1520780"	366.20239	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+IsoProp+H"	61.06479
"420827"	336.113788	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+Na+K"	61.952376
"782187"	488.682588	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+Na+K"	61.952376
"1674873"	183.544988	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Na+K"	61.952376
"254829"	674.290968	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+ACN+Na"	64.015768
"1227898"	369.153368	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+ACN+Na"	64.015768
"1719705"	369.176893	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+NH4+HCOOH"	64.039293
"1182873"	124.701751333333	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+3Na"	68.967654
"1660055"	374.132288	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Na+HCOOH"	68.994688
"159260"	687.19424	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+2K-H"	76.91904
"598091"	992.33184	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+2K-H"	76.91904
"1084790"	382.05664	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2K-H"	76.91904
"141725"	344.100758	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"2M+2K"	77.926316
"583357"	496.669558	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"3M+2K"	77.926316
"1083436"	191.531958	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2K"	77.926316
"1114211"	384.071192	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2K+H"	78.933592
"1345125"	384.158807	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+DMSO+H"	79.021207
"1014751"	388.197976	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2ACN+H"	83.060376
"1531784"	389.191608	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+IsoProp+Na+H"	84.054008
"994951"	194.602626	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+2ACN+2H"	84.067652
"1592735"	390.106228	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+K+HCOOH"	84.968628
"1418394"	420.137738	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+H+CF3COOH"	115.000138
"1149776"	215.115901	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+3ACN+2H"	125.094202
"1700420"	437.164285	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+NH4+CF3COOH"	132.026685
"1639353"	442.11968	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+Na+CF3COOH"	136.98208
"1573910"	458.09362	"C18598"	"Imazamox"	"C15H19N3O4"	"305.1376"	"M+K+CF3COOH"	152.95602
"808658"	298.0841	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M"	0
"983285"	279.06571	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-H2O-H"	-19.01839
"64601"	197.715457333333	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M-3H"	-3.021828
"506713"	297.076824	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M-3H"	-3.021828
"889982"	98.3540906666667	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-3H"	-3.021828
"8557"	297.076824	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M-2H"	-2.014552
"452490"	446.118874	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M-2H"	-2.014552
"829927"	148.034774	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-2H"	-2.014552
"89190"	595.160924	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M-H"	-1.007276
"529844"	893.245024	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M-H"	-1.007276
"904367"	297.076824	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-H"	-1.007276
"59840"	612.187471	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M-2H+NH4"	16.019271
"499399"	910.271571	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M-2H+NH4"	16.019271
"875744"	314.103371	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-2H+NH4"	16.019271
"40728"	617.142866	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M-2H+Na"	20.974666
"480286"	915.226966	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M-2H+Na"	20.974666
"856993"	319.058766	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-2H+Na"	20.974666
"1626528"	319.058766	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Na-2H"	20.974666
"100867"	315.065163	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M-H+Cl"	33.962126
"538243"	464.107213	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M-H+Cl"	33.962126
"932851"	166.023113	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-H+Cl"	33.962126
"269225"	631.137602	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+Cl"	34.969402
"664198"	929.221702	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+Cl"	34.969402
"1274047"	333.053502	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Cl"	34.969402
"16607"	633.116806	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M-2H+K"	36.948606
"461639"	931.200906	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M-2H+K"	36.948606
"834454"	335.032706	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-2H+K"	36.948606
"1557098"	335.032706	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+K-2H"	36.948606
"949720"	343.082294	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-H+HCOOH"	44.998194
"366844"	641.166401	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+HCOOH-H"	44.998201
"350724"	655.182051	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+Hac-H"	59.013851
"1498465"	357.097951	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Hac-H"	59.013851
"962728"	365.064251	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-H+NaCOOH"	66.980151
"114914"	333.053502	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+2Cl"	69.938804
"555569"	482.095552	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+2Cl"	69.938804
"1027651"	184.011452	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2Cl"	69.938804
"1252697"	377.002985	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Br"	78.918885
"1316240"	379.058972	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Cl+HCOOH"	80.974872
"1323531"	401.040929	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Cl+NaCOOH"	102.956829
"911551"	411.069686	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M-H+CF3COOH"	112.985586
"1290206"	447.046364	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Cl+CF3COOH"	148.962264
"1374203"	263.071424	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H-2H2O"	-35.012676
"1387325"	281.0814	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H-H2O"	-17.0027
"291385"	597.175476	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+H"	1.007276
"689278"	895.259576	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+H"	1.007276
"1366876"	299.091376	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H"	1.007276
"138519"	299.091376	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+2H"	2.014552
"576256"	448.133426	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+2H"	2.014552
"1049064"	150.049326	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2H"	2.014552
"213683"	199.730009333333	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+3H"	3.021828
"649964"	299.091376	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+3H"	3.021828
"1167359"	100.368642666667	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+3H"	3.021828
"429177"	614.202023	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+NH4"	18.033823
"799658"	912.286123	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+NH4"	18.033823
"1695258"	316.117923	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+NH4"	18.033823
"344629"	307.6046495	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+H+NH4"	19.041099
"737743"	456.6466995	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+H+NH4"	19.041099
"1492371"	158.5625995	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H+NH4"	19.041099
"406999"	619.157418	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+Na"	22.989218
"769334"	917.241518	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+Na"	22.989218
"1614268"	321.073318	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Na"	22.989218
"325398"	310.082347	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+H+Na"	23.996494
"713445"	459.124397	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+H+Na"	23.996494
"1472373"	161.040297	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H+Na"	23.996494
"1067077"	107.695956666667	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2H+Na"	25.00377
"1270943"	331.117586	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+CH3OH+H"	33.033486
"388422"	635.131358	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+K"	38.963158
"753671"	933.215458	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+K"	38.963158
"1550377"	337.047258	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+K"	38.963158
"311564"	318.069317	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+H+K"	39.970434
"706785"	467.111367	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+H+K"	39.970434
"1459995"	169.027267	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H+K"	39.970434
"251075"	638.202026	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+ACN+H"	42.033826
"1225317"	340.117926	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+ACN+H"	42.033826
"1209201"	170.562601	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+ACN+2H"	43.041102
"203903"	641.13936	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+2Na-H"	44.97116
"643698"	939.22346	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+2Na-H"	44.97116
"1144768"	343.05526	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2Na-H"	44.97116
"186854"	321.073318	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+2Na"	45.978436
"626780"	470.115368	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+2Na"	45.978436
"1126757"	172.031268	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2Na"	45.978436
"1411377"	115.023270666667	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H+2Na"	46.985712
"1443496"	345.096846	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H+HCOOH"	47.012746
"232828"	326.10634	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+3H2O+2H"	56.04448
"1522466"	359.14889	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+IsoProp+H"	61.06479
"421301"	329.060288	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+Na+K"	61.952376
"782661"	478.102338	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+Na+K"	61.952376
"1674983"	180.018238	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Na+K"	61.952376
"254939"	660.183968	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+ACN+Na"	64.015768
"1228009"	362.099868	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+ACN+Na"	64.015768
"1720908"	362.123393	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+NH4+HCOOH"	64.039293
"1181890"	122.350584666667	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+3Na"	68.967654
"1660165"	367.078788	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Na+HCOOH"	68.994688
"161922"	673.08724	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+2K-H"	76.91904
"598563"	971.17134	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+2K-H"	76.91904
"1087088"	375.00314	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2K-H"	76.91904
"142199"	337.047258	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"2M+2K"	77.926316
"583467"	486.089308	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"3M+2K"	77.926316
"1084183"	188.005208	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2K"	77.926316
"1114567"	377.017692	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2K+H"	78.933592
"1346329"	377.105307	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+DMSO+H"	79.021207
"1011580"	381.144476	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2ACN+H"	83.060376
"1531893"	382.138108	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+IsoProp+Na+H"	84.054008
"996154"	191.075876	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+2ACN+2H"	84.067652
"1592845"	383.052728	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+K+HCOOH"	84.968628
"1417411"	413.084238	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+H+CF3COOH"	115.000138
"1150979"	211.589151	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+3ACN+2H"	125.094202
"1700530"	430.110785	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+NH4+CF3COOH"	132.026685
"1637276"	435.06618	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+Na+CF3COOH"	136.98208
"1572927"	451.04012	"C18599"	"Coumafuryl;Fumarin"	"C17H14O5"	"298.0841"	"M+K+CF3COOH"	152.95602
"812048"	141.9588	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M"	0
"983395"	122.94041	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-H2O-H"	-19.01839
"67263"	93.631924	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M-3H"	-3.021828
"510103"	140.951524	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M-3H"	-3.021828
"893372"	46.312324	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-3H"	-3.021828
"6480"	140.951524	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M-2H"	-2.014552
"449320"	211.930924	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M-2H"	-2.014552
"827121"	69.972124	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-2H"	-2.014552
"89300"	282.910324	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M-H"	-1.007276
"527766"	424.869124	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M-H"	-1.007276
"903384"	140.951524	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-H"	-1.007276
"58856"	299.936871	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M-2H+NH4"	16.019271
"499509"	441.895671	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M-2H+NH4"	16.019271
"874030"	157.978071	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-2H+NH4"	16.019271
"36097"	304.892266	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M-2H+Na"	20.974666
"478208"	446.851066	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M-2H+Na"	20.974666
"856007"	162.933466	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-2H+Na"	20.974666
"1624450"	162.933466	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Na-2H"	20.974666
"100249"	158.939863	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M-H+Cl"	33.962126
"539447"	229.919263	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M-H+Cl"	33.962126
"931503"	87.960463	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-H+Cl"	33.962126
"269698"	318.887002	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+Cl"	34.969402
"665401"	460.845802	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+Cl"	34.969402
"1274155"	176.928202	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Cl"	34.969402
"18171"	320.866206	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M-2H+K"	36.948606
"461749"	462.825006	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M-2H+K"	36.948606
"834320"	178.907406	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-2H+K"	36.948606
"1560124"	178.907406	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+K-2H"	36.948606
"949830"	186.956994	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-H+HCOOH"	44.998194
"371327"	328.915801	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+HCOOH-H"	44.998201
"351927"	342.931451	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+Hac-H"	59.013851
"1498939"	200.972651	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Hac-H"	59.013851
"962838"	208.938951	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-H+NaCOOH"	66.980151
"114295"	176.928202	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+2Cl"	69.938804
"555679"	247.907602	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+2Cl"	69.938804
"1031041"	105.948802	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2Cl"	69.938804
"1250620"	220.877685	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Br"	78.918885
"1315256"	222.933672	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Cl+HCOOH"	80.974872
"1322548"	244.915629	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Cl+NaCOOH"	102.956829
"913970"	254.944386	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M-H+CF3COOH"	112.985586
"1291408"	290.921064	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Cl+CF3COOH"	148.962264
"1374313"	106.946124	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H-2H2O"	-35.012676
"1383788"	124.9561	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H-H2O"	-17.0027
"288216"	284.924876	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+H"	1.007276
"689024"	426.883676	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+H"	1.007276
"1366469"	142.966076	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H"	1.007276
"137899"	142.966076	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+2H"	2.014552
"576366"	213.945476	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+2H"	2.014552
"1048079"	71.986676	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2H"	2.014552
"215616"	95.646476	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+3H"	3.021828
"650074"	142.966076	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+3H"	3.021828
"1167469"	48.326876	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+3H"	3.021828
"428191"	301.951423	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+NH4"	18.033823
"799769"	443.910223	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+NH4"	18.033823
"1695731"	159.992623	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+NH4"	18.033823
"344738"	151.4793495	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+H+NH4"	19.041099
"737529"	222.4587495	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+H+NH4"	19.041099
"1492197"	80.4999495	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H+NH4"	19.041099
"406744"	306.906818	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+Na"	22.989218
"769567"	448.865618	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+Na"	22.989218
"1614378"	164.948018	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Na"	22.989218
"324415"	153.957047	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+H+Na"	23.996494
"712462"	224.936447	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+H+Na"	23.996494
"1475034"	82.977647	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H+Na"	23.996494
"1067187"	55.65419	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2H+Na"	25.00377
"1272623"	174.992286	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+CH3OH+H"	33.033486
"386346"	322.880758	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+K"	38.963158
"753539"	464.839558	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+K"	38.963158
"1549394"	180.921958	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+K"	38.963158
"312038"	161.944017	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+H+K"	39.970434
"706651"	232.923417	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+H+K"	39.970434
"1461219"	90.964617	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H+K"	39.970434
"251225"	325.951426	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+ACN+H"	42.033826
"1225387"	183.992626	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+ACN+H"	42.033826
"1209391"	92.499951	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+ACN+2H"	43.041102
"203283"	328.88876	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+2Na-H"	44.97116
"643893"	470.84756	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+2Na-H"	44.97116
"1146702"	186.92996	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2Na-H"	44.97116
"187448"	164.948018	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+2Na"	45.978436
"626279"	235.927418	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+2Na"	45.978436
"1125774"	93.968618	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2Na"	45.978436
"1411487"	62.981504	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H+2Na"	46.985712
"1444819"	188.971546	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H+HCOOH"	47.012746
"234881"	169.98104	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+3H2O+2H"	56.04448
"1523755"	203.02359	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+IsoProp+H"	61.06479
"423597"	172.934988	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+Na+K"	61.952376
"783500"	243.914388	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+Na+K"	61.952376
"1678738"	101.955588	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Na+K"	61.952376
"253956"	347.933368	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+ACN+Na"	64.015768
"1231036"	205.974568	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+ACN+Na"	64.015768
"1719925"	205.998093	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+NH4+HCOOH"	64.039293
"1182000"	70.308818	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+3Na"	68.967654
"1660275"	210.953488	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Na+HCOOH"	68.994688
"165312"	360.83664	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+2K-H"	76.91904
"599646"	502.79544	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+2K-H"	76.91904
"1087198"	218.87784	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2K-H"	76.91904
"143284"	180.921958	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"2M+2K"	77.926316
"581991"	251.901358	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"3M+2K"	77.926316
"1084023"	109.942558	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2K"	77.926316
"1114307"	220.892392	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2K+H"	78.933592
"1345346"	220.980007	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+DMSO+H"	79.021207
"1011690"	225.019176	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2ACN+H"	83.060376
"1532003"	226.012808	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+IsoProp+Na+H"	84.054008
"996264"	113.013226	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+2ACN+2H"	84.067652
"1592955"	226.927428	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+K+HCOOH"	84.968628
"1417521"	256.958938	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+H+CF3COOH"	115.000138
"1148902"	133.526501	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+3ACN+2H"	125.094202
"1700640"	273.985485	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+NH4+CF3COOH"	132.026685
"1636293"	278.94088	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+Na+CF3COOH"	136.98208
"1572672"	294.91482	"C18600"	"Dalapon;22-DPA;22-Dichloropropanoic acid"	"C3H4Cl2O2"	"141.9588"	"M+K+CF3COOH"	152.95602
"812158"	304.2378	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M"	0
"986421"	285.21941	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-H2O-H"	-19.01839
"69560"	201.817924	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M-3H"	-3.021828
"510213"	303.230524	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M-3H"	-3.021828
"892388"	100.405324	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-3H"	-3.021828
"9869"	303.230524	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M-2H"	-2.014552
"449429"	455.349424	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M-2H"	-2.014552
"827231"	151.111624	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-2H"	-2.014552
"87223"	607.468324	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M-H"	-1.007276
"527876"	911.706124	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M-H"	-1.007276
"900214"	303.230524	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-H"	-1.007276
"58966"	624.494871	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M-2H+NH4"	16.019271
"500349"	928.732671	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M-2H+NH4"	16.019271
"870860"	320.257071	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-2H+NH4"	16.019271
"36207"	629.450266	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M-2H+Na"	20.974666
"476132"	933.688066	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M-2H+Na"	20.974666
"856117"	325.212466	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-2H+Na"	20.974666
"1624559"	325.212466	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Na-2H"	20.974666
"101087"	321.218863	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M-H+Cl"	33.962126
"537005"	473.337763	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M-H+Cl"	33.962126
"931976"	169.099963	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-H+Cl"	33.962126
"269807"	643.445002	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+Cl"	34.969402
"664053"	947.682802	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+Cl"	34.969402
"1274634"	339.207202	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Cl"	34.969402
"17192"	645.424206	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M-2H+K"	36.948606
"458579"	949.662006	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M-2H+K"	36.948606
"834188"	341.186406	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-2H+K"	36.948606
"1560233"	341.186406	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+K-2H"	36.948606
"951033"	349.235994	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-H+HCOOH"	44.998194
"371437"	653.473801	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+HCOOH-H"	44.998201
"349485"	667.489451	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+Hac-H"	59.013851
"1498319"	363.251651	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Hac-H"	59.013851
"960028"	371.217951	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-H+NaCOOH"	66.980151
"111851"	339.207202	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+2Cl"	69.938804
"555060"	491.326102	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+2Cl"	69.938804
"1027871"	187.088302	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2Cl"	69.938804
"1248543"	383.156685	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Br"	78.918885
"1316460"	385.212672	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Cl+HCOOH"	80.974872
"1323387"	407.194629	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Cl+NaCOOH"	102.956829
"915538"	417.223386	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M-H+CF3COOH"	112.985586
"1289573"	453.200064	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Cl+CF3COOH"	148.962264
"1373329"	269.225124	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H-2H2O"	-35.012676
"1384262"	287.2351	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H-H2O"	-17.0027
"290512"	609.482876	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+H"	1.007276
"689134"	913.720676	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+H"	1.007276
"1366217"	305.245076	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H"	1.007276
"140198"	305.245076	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+2H"	2.014552
"577205"	457.363976	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+2H"	2.014552
"1048919"	153.126176	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2H"	2.014552
"218644"	203.832476	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+3H"	3.021828
"651277"	305.245076	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+3H"	3.021828
"1167215"	102.419876	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+3H"	3.021828
"429394"	626.509423	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+NH4"	18.033823
"800607"	930.747223	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+NH4"	18.033823
"1695476"	322.271623	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+NH4"	18.033823
"344484"	313.7583495	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+H+NH4"	19.041099
"737637"	465.8772495	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+H+NH4"	19.041099
"1490726"	161.6394495	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H+NH4"	19.041099
"406125"	631.464818	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+Na"	22.989218
"769309"	935.702618	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+Na"	22.989218
"1612302"	327.227018	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Na"	22.989218
"323432"	316.236047	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+H+Na"	23.996494
"715853"	468.354947	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+H+Na"	23.996494
"1472955"	164.117147	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H+Na"	23.996494
"1067746"	109.74719	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2H+Na"	25.00377
"1272254"	337.271286	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+CH3OH+H"	33.033486
"389735"	647.438758	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+K"	38.963158
"753813"	951.676558	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+K"	38.963158
"1552419"	343.200958	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+K"	38.963158
"312148"	324.223017	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+H+K"	39.970434
"704205"	476.341917	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+H+K"	39.970434
"1459850"	172.104117	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H+K"	39.970434
"250927"	650.509426	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+ACN+H"	42.033826
"1225091"	346.271626	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+ACN+H"	42.033826
"1209055"	173.639451	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+ACN+2H"	43.041102
"203995"	653.44676	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+2Na-H"	44.97116
"643550"	957.68456	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+2Na-H"	44.97116
"1145840"	349.20896	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2Na-H"	44.97116
"186096"	327.227018	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+2Na"	45.978436
"626390"	479.345918	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+2Na"	45.978436
"1125884"	175.108118	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2Na"	45.978436
"1412690"	117.074504	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H+2Na"	46.985712
"1442617"	351.250546	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H+HCOOH"	47.012746
"235355"	332.26004	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+3H2O+2H"	56.04448
"1524016"	365.30259	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+IsoProp+H"	61.06479
"416781"	335.213988	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+Na+K"	61.952376
"782150"	487.332888	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+Na+K"	61.952376
"1674106"	183.095088	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Na+K"	61.952376
"256253"	672.491368	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+ACN+Na"	64.015768
"1228959"	368.253568	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+ACN+Na"	64.015768
"1718942"	368.277093	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+NH4+HCOOH"	64.039293
"1184295"	124.401818	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+3Na"	68.967654
"1658562"	373.232488	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Na+HCOOH"	68.994688
"165422"	685.39464	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+2K-H"	76.91904
"599268"	989.63244	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+2K-H"	76.91904
"1084996"	381.15684	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2K-H"	76.91904
"143031"	343.200958	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"2M+2K"	77.926316
"582102"	495.319858	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"3M+2K"	77.926316
"1084093"	191.082058	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2K"	77.926316
"1114296"	383.171392	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2K+H"	78.933592
"1343269"	383.259007	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+DMSO+H"	79.021207
"1012164"	387.298176	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2ACN+H"	83.060376
"1530290"	388.291808	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+IsoProp+Na+H"	84.054008
"996374"	194.152726	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+2ACN+2H"	84.067652
"1593065"	389.206428	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+K+HCOOH"	84.968628
"1417631"	419.237938	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+H+CF3COOH"	115.000138
"1149012"	214.666001	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+3ACN+2H"	125.094202
"1700750"	436.264485	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+NH4+CF3COOH"	132.026685
"1637496"	441.21988	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+Na+CF3COOH"	136.98208
"1573148"	457.19382	"C18601"	"Sodium oleate"	"C18H33O2Na"	"304.2378"	"M+K+CF3COOH"	152.95602
"811175"	350.1552	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M"	0
"985802"	331.13681	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-H2O-H"	-19.01839
"75139"	232.429524	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M-3H"	-3.021828
"509230"	349.147924	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M-3H"	-3.021828
"890311"	115.711124	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-3H"	-3.021828
"9980"	349.147924	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M-2H"	-2.014552
"450633"	524.225524	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M-2H"	-2.014552
"829528"	174.070324	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-2H"	-2.014552
"89520"	699.303124	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M-H"	-1.007276
"532119"	1049.458324	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M-H"	-1.007276
"900324"	349.147924	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-H"	-1.007276
"51421"	716.329671	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M-2H+NH4"	16.019271
"490981"	1066.484871	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M-2H+NH4"	16.019271
"870970"	366.174471	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-2H+NH4"	16.019271
"35953"	721.285066	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M-2H+Na"	20.974666
"475148"	1071.440266	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M-2H+Na"	20.974666
"852949"	371.129866	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-2H+Na"	20.974666
"1623576"	371.129866	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Na-2H"	20.974666
"99011"	367.136263	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M-H+Cl"	33.962126
"535292"	542.213863	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M-H+Cl"	33.962126
"928807"	192.058663	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-H+Cl"	33.962126
"268458"	735.279802	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+Cl"	34.969402
"661245"	1085.435002	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+Cl"	34.969402
"1274745"	385.124602	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Cl"	34.969402
"16205"	737.259006	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M-2H+K"	36.948606
"458689"	1087.414206	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M-2H+K"	36.948606
"833121"	387.103806	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-2H+K"	36.948606
"1558155"	387.103806	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+K-2H"	36.948606
"944946"	395.153394	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-H+HCOOH"	44.998194
"365347"	745.308601	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+HCOOH-H"	44.998201
"350323"	759.324251	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+Hac-H"	59.013851
"1493691"	409.169051	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Hac-H"	59.013851
"959045"	417.135351	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-H+NaCOOH"	66.980151
"110503"	385.124602	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+2Cl"	69.938804
"551890"	560.202202	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+2Cl"	69.938804
"1027981"	210.047002	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2Cl"	69.938804
"1248653"	429.074085	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Br"	78.918885
"1316570"	431.130072	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Cl+HCOOH"	80.974872
"1322403"	453.112029	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Cl+NaCOOH"	102.956829
"914920"	463.140786	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M-H+CF3COOH"	112.985586
"1289442"	499.117464	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Cl+CF3COOH"	148.962264
"1373439"	315.142524	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H-2H2O"	-35.012676
"1383643"	333.1525	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H-H2O"	-17.0027
"289529"	701.317676	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+H"	1.007276
"685232"	1051.472876	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+H"	1.007276
"1361947"	351.162476	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H"	1.007276
"139212"	351.162476	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+2H"	2.014552
"575128"	526.240076	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+2H"	2.014552
"1048301"	176.084876	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2H"	2.014552
"218754"	234.444076	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+3H"	3.021828
"651386"	351.162476	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+3H"	3.021828
"1168417"	117.725676	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+3H"	3.021828
"426222"	718.344223	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+NH4"	18.033823
"799988"	1068.499423	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+NH4"	18.033823
"1694493"	368.189023	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+NH4"	18.033823
"343865"	359.6757495	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+H+NH4"	19.041099
"736532"	534.7533495	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+H+NH4"	19.041099
"1491687"	184.5981495	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H+NH4"	19.041099
"406599"	723.299618	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+Na"	22.989218
"768325"	1073.454818	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+Na"	22.989218
"1612411"	373.144418	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Na"	22.989218
"323178"	362.153447	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+H+Na"	23.996494
"716691"	537.231047	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+H+Na"	23.996494
"1470879"	187.075847	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H+Na"	23.996494
"1067166"	125.05299	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2H+Na"	25.00377
"1271149"	383.188686	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+CH3OH+H"	33.033486
"388752"	739.273558	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+K"	38.963158
"753395"	1089.428758	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+K"	38.963158
"1552893"	389.118358	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+K"	38.963158
"312257"	370.140417	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+H+K"	39.970434
"705408"	545.218017	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+H+K"	39.970434
"1458867"	195.062817	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H+K"	39.970434
"251035"	742.344226	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+ACN+H"	42.033826
"1221997"	392.189026	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+ACN+H"	42.033826
"1209529"	196.598151	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+ACN+2H"	43.041102
"204068"	745.28156	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+2Na-H"	44.97116
"641594"	1095.43676	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+2Na-H"	44.97116
"1145467"	395.12636	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2Na-H"	44.97116
"184749"	373.144418	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+2Na"	45.978436
"625406"	548.222018	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+2Na"	45.978436
"1125630"	198.066818	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2Na"	45.978436
"1412800"	132.380304	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H+2Na"	46.985712
"1440541"	397.167946	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H+HCOOH"	47.012746
"233152"	378.17744	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+3H2O+2H"	56.04448
"1523040"	411.21999	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+IsoProp+H"	61.06479
"416891"	381.131388	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+Na+K"	61.952376
"778979"	556.208988	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+Na+K"	61.952376
"1674216"	206.053788	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Na+K"	61.952376
"254175"	764.326168	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+ACN+Na"	64.015768
"1230163"	414.170968	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+ACN+Na"	64.015768
"1719052"	414.194493	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+NH4+HCOOH"	64.039293
"1184405"	139.707618	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+3Na"	68.967654
"1659037"	419.149888	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Na+HCOOH"	68.994688
"165168"	777.22944	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+2K-H"	76.91904
"602540"	1127.38464	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+2K-H"	76.91904
"1086323"	427.07424	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2K-H"	76.91904
"144233"	389.118358	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"2M+2K"	77.926316
"583064"	564.195958	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"3M+2K"	77.926316
"1082411"	214.040758	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2K"	77.926316
"1108086"	429.088792	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2K+H"	78.933592
"1340097"	429.176407	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+DMSO+H"	79.021207
"1014096"	433.215576	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2ACN+H"	83.060376
"1528943"	434.209208	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+IsoProp+Na+H"	84.054008
"995391"	217.111426	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+2ACN+2H"	84.067652
"1593175"	435.123828	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+K+HCOOH"	84.968628
"1423208"	465.155338	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+H+CF3COOH"	115.000138
"1152402"	237.624701	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+3ACN+2H"	125.094202
"1700860"	482.181885	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+NH4+CF3COOH"	132.026685
"1638699"	487.13728	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+Na+CF3COOH"	136.98208
"1573258"	503.11122	"C18602"	"Propargite;BPPS"	"C19H26O4S"	"350.1552"	"M+K+CF3COOH"	152.95602
"812378"	377.187	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M"	0
"987735"	358.16861	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-H2O-H"	-19.01839
"76342"	250.450724	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M-3H"	-3.021828
"514443"	376.179724	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M-3H"	-3.021828
"894677"	124.721724	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-3H"	-3.021828
"14101"	376.179724	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M-2H"	-2.014552
"452566"	564.773224	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M-2H"	-2.014552
"831466"	187.586224	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-2H"	-2.014552
"91818"	753.366724	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M-H"	-1.007276
"532108"	1130.553724	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M-H"	-1.007276
"904808"	376.179724	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-H"	-1.007276
"51530"	770.393271	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M-2H+NH4"	16.019271
"493277"	1147.580271	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M-2H+NH4"	16.019271
"871079"	393.206271	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-2H+NH4"	16.019271
"38248"	775.348666	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M-2H+Na"	20.974666
"478538"	1152.535666	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M-2H+Na"	20.974666
"855245"	398.161666	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-2H+Na"	20.974666
"1622956"	398.161666	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Na-2H"	20.974666
"96934"	394.168063	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M-H+Cl"	33.962126
"534794"	582.761563	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M-H+Cl"	33.962126
"927825"	205.574563	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-H+Cl"	33.962126
"268569"	789.343402	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+Cl"	34.969402
"661355"	1166.530402	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+Cl"	34.969402
"1273680"	412.156402	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Cl"	34.969402
"17167"	791.322606	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M-2H+K"	36.948606
"458799"	1168.509606	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M-2H+K"	36.948606
"832791"	414.135606	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-2H+K"	36.948606
"1560088"	414.135606	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+K-2H"	36.948606
"944691"	422.185194	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-H+HCOOH"	44.998194
"363999"	799.372201	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+HCOOH-H"	44.998201
"352256"	813.387851	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+Hac-H"	59.013851
"1495624"	436.200851	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Hac-H"	59.013851
"959885"	444.167151	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-H+NaCOOH"	66.980151
"110490"	412.156402	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+2Cl"	69.938804
"552000"	600.749902	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+2Cl"	69.938804
"1028091"	223.562902	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2Cl"	69.938804
"1245483"	456.105885	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Br"	78.918885
"1315586"	458.161872	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Cl+HCOOH"	80.974872
"1321420"	480.143829	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Cl+NaCOOH"	102.956829
"915758"	490.172586	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M-H+CF3COOH"	112.985586
"1291738"	526.149264	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Cl+CF3COOH"	148.962264
"1373549"	342.174324	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H-2H2O"	-35.012676
"1383510"	360.1843	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H-H2O"	-17.0027
"287452"	755.381276	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+H"	1.007276
"685342"	1132.568276	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+H"	1.007276
"1361691"	378.194276	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H"	1.007276
"138593"	378.194276	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+2H"	2.014552
"577789"	566.787776	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+2H"	2.014552
"1052724"	189.600776	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2H"	2.014552
"218136"	252.465276	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+3H"	3.021828
"653683"	378.194276	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+3H"	3.021828
"1169621"	126.736276	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+3H"	3.021828
"431799"	772.407823	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+NH4"	18.033823
"800827"	1149.594823	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+NH4"	18.033823
"1694967"	395.220823	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+NH4"	18.033823
"344339"	386.7075495	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+H+NH4"	19.041099
"737613"	575.3010495	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+H+NH4"	19.041099
"1491797"	198.1140495	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H+NH4"	19.041099
"407073"	777.363218	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+Na"	22.989218
"767705"	1154.550218	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+Na"	22.989218
"1613615"	400.176218	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Na"	22.989218
"323652"	389.185247	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+H+Na"	23.996494
"714979"	577.778747	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+H+Na"	23.996494
"1470989"	200.591747	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H+Na"	23.996494
"1064239"	134.06359	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2H+Na"	25.00377
"1270287"	410.220486	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+CH3OH+H"	33.033486
"391778"	793.337158	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+K"	38.963158
"752411"	1170.524158	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+K"	38.963158
"1551910"	416.150158	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+K"	38.963158
"314074"	397.172217	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+H+K"	39.970434
"705154"	585.765717	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+H+K"	39.970434
"1459342"	208.578717	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H+K"	39.970434
"250988"	796.407826	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+ACN+H"	42.033826
"1224174"	419.220826	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+ACN+H"	42.033826
"1209038"	210.114051	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+ACN+2H"	43.041102
"203488"	799.34516	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+2Na-H"	44.97116
"643733"	1176.53216	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+2Na-H"	44.97116
"1145942"	422.15816	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2Na-H"	44.97116
"185952"	400.176218	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+2Na"	45.978436
"625880"	588.769718	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+2Na"	45.978436
"1127564"	211.582718	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2Na"	45.978436
"1410724"	141.390904	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H+2Na"	46.985712
"1443203"	424.199746	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H+HCOOH"	47.012746
"233992"	405.20924	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+3H2O+2H"	56.04448
"1522786"	438.25179	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+IsoProp+H"	61.06479
"419554"	408.163188	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+Na+K"	61.952376
"778726"	596.756688	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+Na+K"	61.952376
"1675421"	219.569688	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Na+K"	61.952376
"259752"	818.389768	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+ACN+Na"	64.015768
"1231000"	441.202768	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+ACN+Na"	64.015768
"1719162"	441.226293	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+NH4+HCOOH"	64.039293
"1184515"	148.718218	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+3Na"	68.967654
"1658054"	446.181688	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Na+HCOOH"	68.994688
"162362"	831.29304	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+2K-H"	76.91904
"601921"	1208.48004	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+2K-H"	76.91904
"1086434"	454.10604	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2K-H"	76.91904
"144343"	416.150158	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"2M+2K"	77.926316
"583052"	604.743658	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"3M+2K"	77.926316
"1077173"	227.556658	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2K"	77.926316
"1110383"	456.120592	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2K+H"	78.933592
"1343488"	456.208207	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+DMSO+H"	79.021207
"1011289"	460.247376	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2ACN+H"	83.060376
"1530145"	461.241008	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+IsoProp+Na+H"	84.054008
"995501"	230.627326	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+2ACN+2H"	84.067652
"1596565"	462.155628	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+K+HCOOH"	84.968628
"1422225"	492.187138	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+H+CF3COOH"	115.000138
"1159073"	251.140601	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+3ACN+2H"	125.094202
"1704250"	509.213685	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+NH4+CF3COOH"	132.026685
"1639903"	514.16908	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+Na+CF3COOH"	136.98208
"1573367"	530.14302	"C18603"	"Pyrimidifen"	"C20H28ClN3O2"	"377.187"	"M+K+CF3COOH"	152.95602
"815042"	247.0512	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M"	0
"986023"	228.03281	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-H2O-H"	-19.01839
"74264"	163.693524	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M-3H"	-3.021828
"511640"	246.043924	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M-3H"	-3.021828
"886160"	81.343124	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-3H"	-3.021828
"13847"	246.043924	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M-2H"	-2.014552
"451947"	369.569524	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M-2H"	-2.014552
"832139"	122.518324	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-2H"	-2.014552
"93264"	493.095124	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M-H"	-1.007276
"533436"	740.146324	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M-H"	-1.007276
"906011"	246.043924	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-H"	-1.007276
"53829"	510.121671	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M-2H+NH4"	16.019271
"498855"	757.172871	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M-2H+NH4"	16.019271
"872283"	263.070471	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-2H+NH4"	16.019271
"35083"	515.077066	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M-2H+Na"	20.974666
"476465"	762.128266	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M-2H+Na"	20.974666
"853172"	268.025866	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-2H+Na"	20.974666
"1622704"	268.025866	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Na-2H"	20.974666
"99232"	264.032263	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M-H+Cl"	33.962126
"539157"	387.557863	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M-H+Cl"	33.962126
"929029"	140.506663	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-H+Cl"	33.962126
"268070"	529.071802	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+Cl"	34.969402
"664384"	776.123002	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+Cl"	34.969402
"1283352"	282.020602	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Cl"	34.969402
"24814"	531.051006	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M-2H+K"	36.948606
"462191"	778.102206	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M-2H+K"	36.948606
"843273"	283.999806	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-2H+K"	36.948606
"1563479"	283.999806	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+K-2H"	36.948606
"949176"	292.049394	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-H+HCOOH"	44.998194
"369578"	539.100601	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+HCOOH-H"	44.998201
"351277"	553.116251	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+Hac-H"	59.013851
"1495734"	306.065051	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Hac-H"	59.013851
"964373"	314.031351	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-H+NaCOOH"	66.980151
"116561"	282.020602	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+2Cl"	69.938804
"558309"	405.546202	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+2Cl"	69.938804
"1032577"	158.495002	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2Cl"	69.938804
"1253250"	325.970085	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Br"	78.918885
"1314605"	328.026072	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Cl+HCOOH"	80.974872
"1322623"	350.008029	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Cl+NaCOOH"	102.956829
"911940"	360.036786	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M-H+CF3COOH"	112.985586
"1291122"	396.013464	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Cl+CF3COOH"	148.962264
"1371472"	212.038524	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H-2H2O"	-35.012676
"1384958"	230.0485	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H-H2O"	-17.0027
"287561"	495.109676	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+H"	1.007276
"684358"	742.160876	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+H"	1.007276
"1366544"	248.058476	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H"	1.007276
"141134"	248.058476	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+2H"	2.014552
"577535"	371.584076	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+2H"	2.014552
"1043054"	124.532876	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2H"	2.014552
"216786"	165.708076	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+3H"	3.021828
"653794"	248.058476	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+3H"	3.021828
"1175207"	83.357676	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+3H"	3.021828
"436295"	512.136223	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+NH4"	18.033823
"798385"	759.187423	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+NH4"	18.033823
"1691435"	265.085023	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+NH4"	18.033823
"338621"	256.5717495	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+H+NH4"	19.041099
"731041"	380.0973495	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+H+NH4"	19.041099
"1485954"	133.0461495	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H+NH4"	19.041099
"402447"	517.091618	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+Na"	22.989218
"762347"	764.142818	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+Na"	22.989218
"1609351"	270.040418	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Na"	22.989218
"321576"	259.049447	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+H+Na"	23.996494
"715093"	382.575047	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+H+Na"	23.996494
"1470007"	135.523847	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H+Na"	23.996494
"1064349"	90.68499	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2H+Na"	25.00377
"1269307"	280.084686	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+CH3OH+H"	33.033486
"391163"	533.065558	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+K"	38.963158
"752765"	780.116758	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+K"	38.963158
"1555364"	286.014358	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+K"	38.963158
"313333"	267.036417	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+H+K"	39.970434
"706731"	390.562017	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+H+K"	39.970434
"1460793"	143.510817	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H+K"	39.970434
"251258"	536.136226	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+ACN+H"	42.033826
"1224293"	289.085026	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+ACN+H"	42.033826
"1208297"	145.046151	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+ACN+2H"	43.041102
"203233"	539.07356	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+2Na-H"	44.97116
"642187"	786.12476	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+2Na-H"	44.97116
"1144603"	292.02236	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2Na-H"	44.97116
"186429"	270.040418	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+2Na"	45.978436
"625990"	393.566018	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+2Na"	45.978436
"1127674"	146.514818	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2Na"	45.978436
"1411202"	98.012304	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H+2Na"	46.985712
"1442949"	294.063946	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H+HCOOH"	47.012746
"233014"	275.07344	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+3H2O+2H"	56.04448
"1521806"	308.11599	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+IsoProp+H"	61.06479
"421490"	278.027388	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+Na+K"	61.952376
"783212"	401.552988	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+Na+K"	61.952376
"1676990"	154.501788	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Na+K"	61.952376
"262414"	558.118168	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+ACN+Na"	64.015768
"1233301"	311.066968	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+ACN+Na"	64.015768
"1718906"	311.090493	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+NH4+HCOOH"	64.039293
"1190822"	105.339618	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+3Na"	68.967654
"1659258"	316.045888	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Na+HCOOH"	68.994688
"171466"	571.02144	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+2K-H"	76.91904
"607866"	818.07264	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+2K-H"	76.91904
"1093472"	323.97024	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2K-H"	76.91904
"148827"	286.014358	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"2M+2K"	77.926316
"586201"	409.539958	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"3M+2K"	77.926316
"1071808"	162.488758	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2K"	77.926316
"1111586"	325.984792	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2K+H"	78.933592
"1343598"	326.072407	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+DMSO+H"	79.021207
"1014316"	330.111576	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2ACN+H"	83.060376
"1531348"	331.105208	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+IsoProp+Na+H"	84.054008
"995611"	165.559426	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+2ACN+2H"	84.067652
"1595583"	332.019828	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+K+HCOOH"	84.968628
"1425615"	362.051338	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+H+CF3COOH"	115.000138
"1152622"	186.072701	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+3ACN+2H"	125.094202
"1704361"	379.077885	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+NH4+CF3COOH"	132.026685
"1640013"	384.03328	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+Na+CF3COOH"	136.98208
"1574571"	400.00722	"C18604"	"Forchlorfenuron"	"C12H10ClN3O"	"247.0512"	"M+K+CF3COOH"	152.95602
"810411"	321.1365	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M"	0
"988685"	302.11811	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-H2O-H"	-19.01839
"76197"	213.083724	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M-3H"	-3.021828
"515027"	320.129224	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M-3H"	-3.021828
"887363"	106.038224	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-3H"	-3.021828
"14321"	320.129224	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M-2H"	-2.014552
"450963"	480.697474	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M-2H"	-2.014552
"832044"	159.560974	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-2H"	-2.014552
"93861"	641.265724	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M-H"	-1.007276
"533990"	962.402224	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M-H"	-1.007276
"907214"	320.129224	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-H"	-1.007276
"52846"	658.292271	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M-2H+NH4"	16.019271
"497872"	979.428771	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M-2H+NH4"	16.019271
"874580"	337.155771	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-2H+NH4"	16.019271
"38109"	663.247666	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M-2H+Na"	20.974666
"476574"	984.384166	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M-2H+Na"	20.974666
"851459"	342.111166	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-2H+Na"	20.974666
"1624999"	342.111166	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Na-2H"	20.974666
"98249"	338.117563	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M-H+Cl"	33.962126
"537081"	498.685813	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M-H+Cl"	33.962126
"928287"	177.549313	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-H+Cl"	33.962126
"267812"	677.242402	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+Cl"	34.969402
"671053"	998.378902	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+Cl"	34.969402
"1281275"	356.105902	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Cl"	34.969402
"18363"	679.221606	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M-2H+K"	36.948606
"462301"	1000.358106	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M-2H+K"	36.948606
"840103"	358.085106	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-2H+K"	36.948606
"1563589"	358.085106	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+K-2H"	36.948606
"946005"	366.134694	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-H+HCOOH"	44.998194
"369688"	687.271201	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+HCOOH-H"	44.998201
"348469"	701.286851	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+Hac-H"	59.013851
"1495112"	380.150351	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Hac-H"	59.013851
"963754"	388.116651	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-H+NaCOOH"	66.980151
"115578"	356.105902	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+2Cl"	69.938804
"556232"	516.674152	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+2Cl"	69.938804
"1032324"	195.537652	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2Cl"	69.938804
"1250078"	400.055385	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Br"	78.918885
"1312528"	402.111372	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Cl+HCOOH"	80.974872
"1331846"	424.093329	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Cl+NaCOOH"	102.956829
"912091"	434.122086	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M-H+CF3COOH"	112.985586
"1288758"	470.098764	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Cl+CF3COOH"	148.962264
"1371582"	286.123824	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H-2H2O"	-35.012676
"1385068"	304.1338	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H-H2O"	-17.0027
"284145"	643.280276	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+H"	1.007276
"683373"	964.416776	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+H"	1.007276
"1360091"	322.143776	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H"	1.007276
"135897"	322.143776	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+2H"	2.014552
"576549"	482.712026	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+2H"	2.014552
"1045714"	161.575526	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2H"	2.014552
"218718"	215.098276	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+3H"	3.021828
"658279"	322.143776	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+3H"	3.021828
"1176046"	108.052776	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+3H"	3.021828
"436405"	660.306823	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+NH4"	18.033823
"799589"	981.443323	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+NH4"	18.033823
"1693732"	339.170323	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+NH4"	18.033823
"339825"	330.6570495	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+H+NH4"	19.041099
"733337"	491.2252995	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+H+NH4"	19.041099
"1488251"	170.0887995	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H+NH4"	19.041099
"402558"	665.262218	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+Na"	22.989218
"762457"	986.398718	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+Na"	22.989218
"1610554"	344.125718	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Na"	22.989218
"318406"	333.134747	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+H+Na"	23.996494
"711922"	493.702997	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+H+Na"	23.996494
"1466835"	172.566497	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H+Na"	23.996494
"1066642"	115.38009	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2H+Na"	25.00377
"1269419"	354.169986	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+CH3OH+H"	33.033486
"391274"	681.236158	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+K"	38.963158
"753725"	1002.372658	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+K"	38.963158
"1555252"	360.099658	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+K"	38.963158
"309307"	341.121717	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+H+K"	39.970434
"706715"	501.689967	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+H+K"	39.970434
"1461062"	180.553467	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H+K"	39.970434
"250470"	684.306826	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+ACN+H"	42.033826
"1225086"	363.170326	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+ACN+H"	42.033826
"1209131"	182.088801	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+ACN+2H"	43.041102
"203911"	687.24416	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+2Na-H"	44.97116
"643632"	1008.38066	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+2Na-H"	44.97116
"1145439"	366.10766	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2Na-H"	44.97116
"187266"	344.125718	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+2Na"	45.978436
"626101"	504.693968	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+2Na"	45.978436
"1128150"	183.557468	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2Na"	45.978436
"1412040"	122.707404	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H+2Na"	46.985712
"1443423"	368.149246	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H+HCOOH"	47.012746
"232758"	349.15874	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+3H2O+2H"	56.04448
"1521184"	382.20129	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+IsoProp+H"	61.06479
"420505"	352.112688	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+Na+K"	61.952376
"782229"	512.680938	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+Na+K"	61.952376
"1676735"	191.544438	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Na+K"	61.952376
"262159"	706.288768	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+ACN+Na"	64.015768
"1232682"	385.152268	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+ACN+Na"	64.015768
"1715372"	385.175793	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+NH4+HCOOH"	64.039293
"1190202"	130.034718	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+3Na"	68.967654
"1656817"	390.131188	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Na+HCOOH"	68.994688
"170238"	719.19204	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+2K-H"	76.91904
"606517"	1040.32854	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+2K-H"	76.91904
"1093946"	398.05554	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2K-H"	76.91904
"150033"	360.099658	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"2M+2K"	77.926316
"584125"	520.667908	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"3M+2K"	77.926316
"1073013"	199.531408	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2K"	77.926316
"1111696"	400.070092	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2K+H"	78.933592
"1343708"	400.157707	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+DMSO+H"	79.021207
"1014426"	404.196876	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2ACN+H"	83.060376
"1530365"	405.190508	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+IsoProp+Na+H"	84.054008
"994628"	202.602076	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+2ACN+2H"	84.067652
"1595693"	406.105128	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+K+HCOOH"	84.968628
"1425725"	436.136638	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+H+CF3COOH"	115.000138
"1152732"	223.115351	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+3ACN+2H"	125.094202
"1704471"	453.163185	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+NH4+CF3COOH"	132.026685
"1640123"	458.11858	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+Na+CF3COOH"	136.98208
"1575774"	474.09252	"C18605"	"Pyriproxyfen"	"C20H19NO3"	"321.1365"	"M+K+CF3COOH"	152.95602
"811614"	99.9563	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M"	0
"988917"	80.93791	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-H2O-H"	-19.01839
"76309"	65.6302573333333	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M-3H"	-3.021828
"515140"	98.949024	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M-3H"	-3.021828
"888568"	32.3114906666667	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-3H"	-3.021828
"10422"	98.949024	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M-2H"	-2.014552
"451076"	148.927174	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M-2H"	-2.014552
"832159"	48.970874	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-2H"	-2.014552
"93124"	198.905324	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M-H"	-1.007276
"534020"	298.861624	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M-H"	-1.007276
"907326"	98.949024	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-H"	-1.007276
"51863"	215.931871	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M-2H+NH4"	16.019271
"493609"	315.888171	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M-2H+NH4"	16.019271
"872505"	115.975571	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-2H+NH4"	16.019271
"36033"	220.887266	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M-2H+Na"	20.974666
"475226"	320.843566	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M-2H+Na"	20.974666
"854486"	120.930966	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-2H+Na"	20.974666
"1624015"	120.930966	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Na-2H"	20.974666
"99452"	116.937363	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M-H+Cl"	33.962126
"536828"	166.915513	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M-H+Cl"	33.962126
"927302"	66.959213	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-H+Cl"	33.962126
"274370"	234.882002	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+Cl"	34.969402
"662418"	334.838302	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+Cl"	34.969402
"1281385"	134.925702	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Cl"	34.969402
"28318"	236.861206	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M-2H+K"	36.948606
"456575"	336.817506	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M-2H+K"	36.948606
"834016"	136.904906	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-2H+K"	36.948606
"1560420"	136.904906	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+K-2H"	36.948606
"949398"	144.954494	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-H+HCOOH"	44.998194
"362145"	244.910801	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+HCOOH-H"	44.998201
"348215"	258.926451	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+Hac-H"	59.013851
"1494858"	158.970151	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Hac-H"	59.013851
"970062"	166.936451	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-H+NaCOOH"	66.980151
"118968"	134.925702	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+2Cl"	69.938804
"561810"	184.903852	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+2Cl"	69.938804
"1032800"	84.947552	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2Cl"	69.938804
"1251650"	178.875185	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Br"	78.918885
"1313734"	180.931172	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Cl+HCOOH"	80.974872
"1330132"	202.913129	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Cl+NaCOOH"	102.956829
"923381"	212.941886	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M-H+CF3COOH"	112.985586
"1289881"	248.918564	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Cl+CF3COOH"	148.962264
"1369140"	64.943624	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H-2H2O"	-35.012676
"1383718"	82.9536	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H-H2O"	-17.0027
"287781"	200.919876	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+H"	1.007276
"682390"	300.876176	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+H"	1.007276
"1360199"	100.963576	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H"	1.007276
"133453"	100.963576	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+2H"	2.014552
"574470"	150.941726	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+2H"	2.014552
"1048742"	50.985426	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2H"	2.014552
"216276"	67.6448093333333	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+3H"	3.021828
"655107"	100.963576	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+3H"	3.021828
"1175426"	34.3260426666667	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+3H"	3.021828
"435421"	217.946423	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+NH4"	18.033823
"798606"	317.902723	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+NH4"	18.033823
"1691654"	117.990123	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+NH4"	18.033823
"338837"	109.4768495	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+H+NH4"	19.041099
"732353"	159.4549995	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+H+NH4"	19.041099
"1486174"	59.4986995	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H+NH4"	19.041099
"402666"	222.901818	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+Na"	22.989218
"761473"	322.858118	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+Na"	22.989218
"1610665"	122.945518	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Na"	22.989218
"319610"	111.954547	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+H+Na"	23.996494
"711303"	161.932697	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+H+Na"	23.996494
"1469133"	61.976397	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H+Na"	23.996494
"1065659"	41.6533566666667	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2H+Na"	25.00377
"1271351"	132.989786	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+CH3OH+H"	33.033486
"392477"	238.875758	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+K"	38.963158
"753835"	338.832058	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+K"	38.963158
"1555402"	138.919458	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+K"	38.963158
"309782"	119.941517	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+H+K"	39.970434
"702932"	169.919667	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+H+K"	39.970434
"1458942"	69.963367	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H+K"	39.970434
"249001"	241.946426	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+ACN+H"	42.033826
"1225397"	141.990126	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+ACN+H"	42.033826
"1208513"	71.498701	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+ACN+2H"	43.041102
"201747"	244.88376	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+2Na-H"	44.97116
"643136"	344.84006	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+2Na-H"	44.97116
"1145672"	144.92746	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2Na-H"	44.97116
"186648"	122.945518	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+2Na"	45.978436
"625116"	172.923668	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+2Na"	45.978436
"1128988"	72.967368	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2Na"	45.978436
"1412761"	48.9806706666667	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H+2Na"	46.985712
"1444954"	146.969046	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H+HCOOH"	47.012746
"231046"	127.97854	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+3H2O+2H"	56.04448
"1522753"	161.02109	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+IsoProp+H"	61.06479
"422804"	130.932488	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+Na+K"	61.952376
"781974"	180.910638	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+Na+K"	61.952376
"1678306"	80.954338	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Na+K"	61.952376
"262269"	263.928368	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+ACN+Na"	64.015768
"1232792"	163.972068	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+ACN+Na"	64.015768
"1720586"	163.995593	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+NH4+HCOOH"	64.039293
"1190312"	56.3079846666667	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+3Na"	68.967654
"1662395"	168.950988	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Na+HCOOH"	68.994688
"170350"	276.83164	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+2K-H"	76.91904
"606627"	376.78794	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+2K-H"	76.91904
"1094420"	176.87534	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2K-H"	76.91904
"152330"	138.919458	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"2M+2K"	77.926316
"585328"	188.897608	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"3M+2K"	77.926316
"1074216"	88.941308	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2K"	77.926316
"1115571"	178.889892	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2K+H"	78.933592
"1344912"	178.977507	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+DMSO+H"	79.021207
"1014536"	183.016676	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2ACN+H"	83.060376
"1534848"	184.010308	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+IsoProp+Na+H"	84.054008
"998018"	92.011976	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+2ACN+2H"	84.067652
"1595803"	184.924928	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+K+HCOOH"	84.968628
"1425836"	214.956438	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+H+CF3COOH"	115.000138
"1153939"	112.525251	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+3ACN+2H"	125.094202
"1699845"	231.982985	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+NH4+CF3COOH"	132.026685
"1639140"	236.93838	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+Na+CF3COOH"	136.98208
"1572969"	252.91232	"C18606"	"Potassium bicarbonate"	"KHCO3"	"99.9563"	"M+K+CF3COOH"	152.95602
"814645"	357.1376	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M"	0
"988543"	338.11921	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-H2O-H"	-19.01839
"76418"	237.084457333333	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M-3H"	-3.021828
"509785"	356.130324	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M-3H"	-3.021828
"889773"	118.038590666667	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-3H"	-3.021828
"9440"	356.130324	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M-2H"	-2.014552
"454831"	534.699124	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M-2H"	-2.014552
"832231"	177.561524	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-2H"	-2.014552
"88980"	713.267924	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M-H"	-1.007276
"527448"	1070.405524	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M-H"	-1.007276
"900879"	356.130324	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-H"	-1.007276
"53066"	730.294471	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M-2H+NH4"	16.019271
"495908"	1087.432071	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M-2H+NH4"	16.019271
"873711"	373.156871	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-2H+NH4"	16.019271
"33589"	735.249866	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M-2H+Na"	20.974666
"472787"	1092.387466	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M-2H+Na"	20.974666
"851315"	378.112266	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-2H+Na"	20.974666
"1620483"	378.112266	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Na-2H"	20.974666
"96289"	374.118663	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M-H+Cl"	33.962126
"540224"	552.687463	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M-H+Cl"	33.962126
"932647"	195.549863	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-H+Cl"	33.962126
"272297"	749.244602	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+Cl"	34.969402
"664718"	1106.382202	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+Cl"	34.969402
"1280402"	392.107002	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Cl"	34.969402
"16358"	751.223806	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M-2H+K"	36.948606
"459243"	1108.361406	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M-2H+K"	36.948606
"837044"	394.086206	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-2H+K"	36.948606
"1567094"	394.086206	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+K-2H"	36.948606
"953884"	402.135794	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-H+HCOOH"	44.998194
"368818"	759.273401	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+HCOOH-H"	44.998201
"355984"	773.289051	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+Hac-H"	59.013851
"1498255"	416.151451	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Hac-H"	59.013851
"969079"	424.117751	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-H+NaCOOH"	66.980151
"121267"	392.107002	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+2Cl"	69.938804
"559734"	570.675802	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+2Cl"	69.938804
"1031813"	213.538202	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2Cl"	69.938804
"1252485"	436.056485	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Br"	78.918885
"1313840"	438.112472	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Cl+HCOOH"	80.974872
"1332797"	460.094429	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Cl+NaCOOH"	102.956829
"925678"	470.123186	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M-H+CF3COOH"	112.985586
"1299104"	506.099864	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Cl+CF3COOH"	148.962264
"1369612"	322.124924	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H-2H2O"	-35.012676
"1390395"	340.1349	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H-H2O"	-17.0027
"290811"	715.282476	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+H"	1.007276
"690525"	1072.420076	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+H"	1.007276
"1361040"	358.144876	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H"	1.007276
"130287"	358.144876	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+2H"	2.014552
"573127"	536.713676	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+2H"	2.014552
"1045935"	179.576076	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2H"	2.014552
"208003"	239.099009333333	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+3H"	3.021828
"646471"	358.144876	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+3H"	3.021828
"1172257"	120.053142666667	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+3H"	3.021828
"433346"	732.309023	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+NH4"	18.033823
"796527"	1089.446623	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+NH4"	18.033823
"1690671"	375.171423	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+NH4"	18.033823
"337852"	366.6581495	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+H+NH4"	19.041099
"729183"	545.2269495	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+H+NH4"	19.041099
"1484096"	188.0893495	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H+NH4"	19.041099
"395486"	737.264418	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+Na"	22.989218
"759399"	1094.402018	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+Na"	22.989218
"1608591"	380.126818	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Na"	22.989218
"324098"	369.135847	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+H+Na"	23.996494
"712145"	547.704647	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+H+Na"	23.996494
"1471068"	190.567047	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H+Na"	23.996494
"1060305"	127.380456666667	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2H+Na"	25.00377
"1265265"	390.171086	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+CH3OH+H"	33.033486
"384934"	753.238358	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+K"	38.963158
"751396"	1110.375958	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+K"	38.963158
"1554178"	396.100758	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+K"	38.963158
"311719"	377.122817	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+H+K"	39.970434
"704867"	555.691617	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+H+K"	39.970434
"1458691"	198.554017	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H+K"	39.970434
"246562"	756.309026	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+ACN+H"	42.033826
"1221457"	399.171426	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+ACN+H"	42.033826
"1207895"	200.089351	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+ACN+2H"	43.041102
"202464"	759.24636	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+2Na-H"	44.97116
"638865"	1116.38396	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+2Na-H"	44.97116
"1143102"	402.10876	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2Na-H"	44.97116
"184207"	380.126818	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+2Na"	45.978436
"625957"	558.695618	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+2Na"	45.978436
"1123995"	201.558018	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2Na"	45.978436
"1408978"	134.707770666667	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H+2Na"	46.985712
"1438907"	404.150346	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H+HCOOH"	47.012746
"232248"	385.15984	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+3H2O+2H"	56.04448
"1522502"	418.20239	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+IsoProp+H"	61.06479
"420727"	388.113788	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+Na+K"	61.952376
"782085"	566.682588	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+Na+K"	61.952376
"1678054"	209.544988	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Na+K"	61.952376
"262749"	778.290968	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+ACN+Na"	64.015768
"1235092"	421.153368	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+ACN+Na"	64.015768
"1718510"	421.176893	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+NH4+HCOOH"	64.039293
"1183863"	142.035084666667	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+3Na"	68.967654
"1657035"	426.132288	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Na+HCOOH"	68.994688
"163896"	791.19424	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+2K-H"	76.91904
"604551"	1148.33184	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+2K-H"	76.91904
"1090156"	434.05664	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2K-H"	76.91904
"149159"	396.100758	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"2M+2K"	77.926316
"586533"	574.669558	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"3M+2K"	77.926316
"1073234"	217.531958	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2K"	77.926316
"1114351"	436.071192	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2K+H"	78.933592
"1343930"	436.158807	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+DMSO+H"	79.021207
"1016833"	440.197976	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2ACN+H"	83.060376
"1534963"	441.191608	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+IsoProp+Na+H"	84.054008
"998130"	220.602626	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+2ACN+2H"	84.067652
"1595914"	442.106228	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+K+HCOOH"	84.968628
"1417202"	472.137738	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+H+CF3COOH"	115.000138
"1154052"	241.115901	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+3ACN+2H"	125.094202
"1707976"	489.164285	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+NH4+CF3COOH"	132.026685
"1645814"	494.11968	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+Na+CF3COOH"	136.98208
"1573811"	510.09362	"C18607"	"Cyhalofop-butyl"	"C20H20FNO4"	"357.1376"	"M+K+CF3COOH"	152.95602
"810741"	214.0397	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M"	0
"983181"	195.02131	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H2O-H"	-19.01839
"70330"	141.685857333333	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-3H"	-3.021828
"515360"	213.032424	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-3H"	-3.021828
"882229"	70.3392906666667	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-3H"	-3.021828
"5177"	213.032424	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H"	-2.014552
"448015"	320.052274	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H"	-2.014552
"829096"	106.012574	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H"	-2.014552
"89090"	427.072124	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-H"	-1.007276
"525370"	641.111824	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-H"	-1.007276
"904269"	213.032424	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H"	-1.007276
"50989"	444.098671	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+NH4"	16.019271
"489456"	658.138371	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+NH4"	16.019271
"866165"	230.058971	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+NH4"	16.019271
"32361"	449.054066	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+Na"	20.974666
"471803"	663.093766	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+Na"	20.974666
"848712"	235.014366	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+Na"	20.974666
"1618460"	235.014366	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na-2H"	20.974666
"96399"	231.020763	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-H+Cl"	33.962126
"537054"	338.040613	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-H+Cl"	33.962126
"933850"	124.000913	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+Cl"	33.962126
"272407"	463.048802	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Cl"	34.969402
"664828"	677.088502	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Cl"	34.969402
"1275045"	249.009102	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl"	34.969402
"16307"	465.028006	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+K"	36.948606
"459353"	679.067706	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+K"	36.948606
"834967"	250.988306	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+K"	36.948606
"1566111"	250.988306	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K-2H"	36.948606
"947433"	259.037894	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+HCOOH"	44.998194
"365648"	473.077601	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+HCOOH-H"	44.998201
"351719"	487.093251	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Hac-H"	59.013851
"1496177"	273.053551	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Hac-H"	59.013851
"961170"	281.019851	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+NaCOOH"	66.980151
"110442"	249.009102	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Cl"	69.938804
"551460"	356.028952	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Cl"	69.938804
"1025362"	141.989252	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Cl"	69.938804
"1243847"	292.958585	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Br"	78.918885
"1312857"	295.014572	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+HCOOH"	80.974872
"1325980"	316.996529	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+NaCOOH"	102.956829
"921412"	327.025286	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+CF3COOH"	112.985586
"1299214"	363.001964	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+CF3COOH"	148.962264
"1371909"	179.027024	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H-2H2O"	-35.012676
"1390505"	197.037	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H-H2O"	-17.0027
"292014"	429.086676	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H"	1.007276
"690393"	643.126376	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H"	1.007276
"1361150"	215.046976	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H"	1.007276
"130761"	215.046976	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2H"	2.014552
"573601"	322.066826	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2H"	2.014552
"1048232"	108.027126	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2H"	2.014552
"209206"	143.700409333333	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+3H"	3.021828
"646581"	215.046976	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+3H"	3.021828
"1174559"	72.3538426666667	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3H"	3.021828
"434551"	446.113223	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+NH4"	18.033823
"794451"	660.152923	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+NH4"	18.033823
"1688597"	232.073523	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4"	18.033823
"337964"	223.5602495	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+NH4"	19.041099
"727107"	330.5800995	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+NH4"	19.041099
"1484206"	116.5403995	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+NH4"	19.041099
"397419"	451.068618	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Na"	22.989218
"759509"	665.108318	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Na"	22.989218
"1608701"	237.028918	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na"	22.989218
"323115"	226.037947	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+Na"	23.996494
"712256"	333.057797	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+Na"	23.996494
"1466074"	119.018097	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+Na"	23.996494
"1061507"	79.6811566666667	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2H+Na"	25.00377
"1263189"	247.073186	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+CH3OH+H"	33.033486
"382857"	467.042558	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+K"	38.963158
"744947"	681.082258	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+K"	38.963158
"1550279"	253.002858	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K"	38.963158
"309640"	234.024917	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+K"	39.970434
"705585"	341.044767	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+K"	39.970434
"1458069"	127.005067	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+K"	39.970434
"244483"	470.113226	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+ACN+H"	42.033826
"1219380"	256.073526	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+H"	42.033826
"1206549"	128.540401	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+2H"	43.041102
"202328"	473.05056	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Na-H"	44.97116
"640067"	687.09026	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Na-H"	44.97116
"1140297"	259.01086	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Na-H"	44.97116
"182495"	237.028918	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Na"	45.978436
"622056"	344.048768	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Na"	45.978436
"1128117"	130.009068	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Na"	45.978436
"1408357"	87.0084706666667	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+2Na"	46.985712
"1439017"	261.052446	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+HCOOH"	47.012746
"228713"	242.06194	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+3H2O+2H"	56.04448
"1518964"	275.10449	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+IsoProp+H"	61.06479
"421199"	245.015888	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Na+K"	61.952376
"781466"	352.035738	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Na+K"	61.952376
"1674878"	137.996038	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+K"	61.952376
"255931"	492.095168	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+ACN+Na"	64.015768
"1233014"	278.055468	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+Na"	64.015768
"1717525"	278.078993	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4+HCOOH"	64.039293
"1186160"	94.3357846666667	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3Na"	68.967654
"1653863"	283.034388	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+HCOOH"	68.994688
"159630"	504.99844	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2K-H"	76.91904
"598462"	719.03814	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2K-H"	76.91904
"1088076"	290.95874	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K-H"	76.91904
"143071"	253.002858	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2K"	77.926316
"584456"	360.022708	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2K"	77.926316
"1070429"	145.983008	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K"	77.926316
"1107653"	292.973292	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K+H"	78.933592
"1341853"	293.060907	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+DMSO+H"	79.021207
"1013662"	297.100076	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2ACN+H"	83.060376
"1535073"	298.093708	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+IsoProp+Na+H"	84.054008
"996053"	149.053676	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2ACN+2H"	84.067652
"1592744"	299.008328	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K+HCOOH"	84.968628
"1417312"	329.039838	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+CF3COOH"	115.000138
"1154162"	169.566951	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3ACN+2H"	125.094202
"1708086"	346.066385	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4+CF3COOH"	132.026685
"1642644"	351.02178	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+CF3COOH"	136.98208
"1573921"	366.99572	"C18608"	"Mecoprop-P;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;(R)-2-(4-Chloro-2-methylphenoxy)propanoate;(R)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K+CF3COOH"	152.95602
"813037"	359.1322	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M"	0
"985478"	340.11381	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-H2O-H"	-19.01839
"70440"	238.414190666667	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M-3H"	-3.021828
"518103"	358.124924	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M-3H"	-3.021828
"892178"	118.703457333333	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-3H"	-3.021828
"6380"	358.124924	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M-2H"	-2.014552
"448124"	537.691024	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M-2H"	-2.014552
"829205"	178.558824	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-2H"	-2.014552
"89200"	717.257124	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M-H"	-1.007276
"525480"	1076.389324	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M-H"	-1.007276
"904379"	358.124924	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-H"	-1.007276
"52193"	734.283671	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M-2H+NH4"	16.019271
"489930"	1093.415871	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M-2H+NH4"	16.019271
"867368"	375.151471	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-2H+NH4"	16.019271
"33078"	739.239066	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M-2H+Na"	20.974666
"472520"	1098.371266	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M-2H+Na"	20.974666
"849592"	380.106866	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-2H+Na"	20.974666
"1619248"	380.106866	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Na-2H"	20.974666
"96872"	376.113263	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M-H+Cl"	33.962126
"537528"	555.679363	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M-H+Cl"	33.962126
"933960"	196.547163	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-H+Cl"	33.962126
"271424"	753.233802	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+Cl"	34.969402
"668218"	1112.366002	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+Cl"	34.969402
"1278436"	394.101602	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Cl"	34.969402
"17106"	755.213006	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M-2H+K"	36.948606
"460556"	1114.345206	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M-2H+K"	36.948606
"838357"	396.080806	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-2H+K"	36.948606
"1561847"	396.080806	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+K-2H"	36.948606
"949729"	404.130394	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-H+HCOOH"	44.998194
"365756"	763.262601	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+HCOOH-H"	44.998201
"348910"	777.278251	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+Hac-H"	59.013851
"1494216"	418.146051	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Hac-H"	59.013851
"961644"	426.112351	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-H+NaCOOH"	66.980151
"111644"	394.101602	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+2Cl"	69.938804
"551205"	573.667702	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+2Cl"	69.938804
"1022920"	214.535502	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2Cl"	69.938804
"1246508"	438.051085	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Br"	78.918885
"1312967"	440.107072	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Cl+HCOOH"	80.974872
"1326090"	462.089029	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Cl+NaCOOH"	102.956829
"921522"	472.117786	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M-H+CF3COOH"	112.985586
"1299324"	508.094464	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Cl+CF3COOH"	148.962264
"1375298"	324.119524	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H-2H2O"	-35.012676
"1390615"	342.1295	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H-H2O"	-17.0027
"292488"	719.271676	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+H"	1.007276
"682723"	1078.403876	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+H"	1.007276
"1353239"	360.139476	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H"	1.007276
"134147"	360.139476	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+2H"	2.014552
"574800"	539.705576	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+2H"	2.014552
"1049070"	180.573376	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2H"	2.014552
"207250"	240.428742666667	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+3H"	3.021828
"646812"	360.139476	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+3H"	3.021828
"1173575"	120.718009333333	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+3H"	3.021828
"434661"	736.298223	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+NH4"	18.033823
"795655"	1095.430423	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+NH4"	18.033823
"1691985"	377.166023	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+NH4"	18.033823
"339167"	368.6527495	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+H+NH4"	19.041099
"731589"	548.2188495	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+H+NH4"	19.041099
"1484316"	189.0866495	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H+NH4"	19.041099
"398623"	741.253618	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+Na"	22.989218
"758525"	1100.385818	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+Na"	22.989218
"1609904"	382.121418	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Na"	22.989218
"323225"	371.130447	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+H+Na"	23.996494
"711272"	550.696547	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+H+Na"	23.996494
"1466184"	191.564347	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H+Na"	23.996494
"1060524"	128.045323333333	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2H+Na"	25.00377
"1264392"	392.165686	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+CH3OH+H"	33.033486
"386247"	757.227558	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+K"	38.963158
"749429"	1116.359758	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+K"	38.963158
"1549295"	398.095358	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+K"	38.963158
"306470"	379.117417	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+H+K"	39.970434
"702171"	558.683517	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+H+K"	39.970434
"1457085"	199.551317	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H+K"	39.970434
"244593"	760.298226	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+ACN+H"	42.033826
"1220582"	401.166026	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+ACN+H"	42.033826
"1205563"	201.086651	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+ACN+2H"	43.041102
"202681"	763.23556	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+2Na-H"	44.97116
"640906"	1122.36776	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+2Na-H"	44.97116
"1141500"	404.10336	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2Na-H"	44.97116
"183699"	382.121418	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+2Na"	45.978436
"623259"	561.687518	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+2Na"	45.978436
"1128591"	202.555318	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2Na"	45.978436
"1405916"	135.372637333333	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H+2Na"	46.985712
"1438034"	406.144946	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H+HCOOH"	47.012746
"226637"	387.15444	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+3H2O+2H"	56.04448
"1517980"	420.19699	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+IsoProp+H"	61.06479
"421674"	390.108388	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+Na+K"	61.952376
"781575"	569.674488	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+Na+K"	61.952376
"1668427"	210.542288	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Na+K"	61.952376
"257135"	782.280168	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+ACN+Na"	64.015768
"1232031"	423.147968	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+ACN+Na"	64.015768
"1716542"	423.171493	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+NH4+HCOOH"	64.039293
"1186270"	142.699951333333	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+3Na"	68.967654
"1653973"	428.126888	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Na+HCOOH"	68.994688
"161926"	795.18344	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+2K-H"	76.91904
"601488"	1154.31564	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+2K-H"	76.91904
"1088186"	436.05124	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2K-H"	76.91904
"145004"	398.095358	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"2M+2K"	77.926316
"583473"	577.661458	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"3M+2K"	77.926316
"1070539"	218.529258	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2K"	77.926316
"1107763"	438.065792	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2K+H"	78.933592
"1345243"	438.153407	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+DMSO+H"	79.021207
"1015959"	442.192576	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2ACN+H"	83.060376
"1527526"	443.186208	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+IsoProp+Na+H"	84.054008
"996163"	221.599926	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+2ACN+2H"	84.067652
"1591760"	444.100828	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+K+HCOOH"	84.968628
"1416328"	474.132338	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+H+CF3COOH"	115.000138
"1154272"	242.113201	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+3ACN+2H"	125.094202
"1704916"	491.158885	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+NH4+CF3COOH"	132.026685
"1642754"	496.11428	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+Na+CF3COOH"	136.98208
"1574031"	512.08822	"C18609"	"Clethodim"	"C17H26ClNO3S"	"359.1322"	"M+K+CF3COOH"	152.95602
"816798"	839.4303	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M"	0
"989322"	820.41191	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-H2O-H"	-19.01839
"76018"	558.612924	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M-3H"	-3.021828
"516674"	838.423024	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M-3H"	-3.021828
"892289"	278.802824	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-3H"	-3.021828
"7583"	838.423024	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M-2H"	-2.014552
"450422"	1258.138174	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M-2H"	-2.014552
"828224"	418.707874	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-2H"	-2.014552
"88216"	1677.853324	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M-H"	-1.007276
"528871"	2517.283624	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M-H"	-1.007276
"902303"	838.423024	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-H"	-1.007276
"55584"	1694.879871	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M-2H+NH4"	16.019271
"495144"	2534.310171	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M-2H+NH4"	16.019271
"868571"	855.449571	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-2H+NH4"	16.019271
"33070"	1699.835266	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M-2H+Na"	20.974666
"474207"	2539.265566	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M-2H+Na"	20.974666
"849821"	860.404966	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-2H+Na"	20.974666
"1621182"	860.404966	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Na-2H"	20.974666
"98805"	856.411363	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M-H+Cl"	33.962126
"537274"	1276.126513	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M-H+Cl"	33.962126
"931882"	436.696213	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-H+Cl"	33.962126
"274815"	1713.830002	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+Cl"	34.969402
"666141"	2553.260302	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+Cl"	34.969402
"1280732"	874.399702	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Cl"	34.969402
"20011"	1715.809206	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M-2H+K"	36.948606
"466131"	2555.239506	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M-2H+K"	36.948606
"843934"	876.378906	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-2H+K"	36.948606
"1564144"	876.378906	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+K-2H"	36.948606
"946560"	884.428494	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-H+HCOOH"	44.998194
"365140"	1723.858801	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+HCOOH-H"	44.998201
"350845"	1737.874451	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+Hac-H"	59.013851
"1495669"	898.444151	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Hac-H"	59.013851
"964672"	906.410451	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-H+NaCOOH"	66.980151
"115400"	874.399702	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+2Cl"	69.938804
"553867"	1294.114852	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+2Cl"	69.938804
"1025946"	454.684552	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2Cl"	69.938804
"1246617"	918.349185	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Br"	78.918885
"1309797"	920.405172	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Cl+HCOOH"	80.974872
"1323648"	942.387129	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Cl+NaCOOH"	102.956829
"918352"	952.415886	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M-H+CF3COOH"	112.985586
"1296154"	988.392564	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Cl+CF3COOH"	148.962264
"1373223"	804.417624	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H-2H2O"	-35.012676
"1384519"	822.4276	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H-H2O"	-17.0027
"288219"	1679.867876	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+H"	1.007276
"677360"	2519.298176	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+H"	1.007276
"1355899"	840.437576	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H"	1.007276
"137904"	840.437576	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+2H"	2.014552
"577828"	1260.152726	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+2H"	2.014552
"1051003"	420.722426	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2H"	2.014552
"210521"	560.627476	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+3H"	3.021828
"647894"	840.437576	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+3H"	3.021828
"1172592"	280.817376	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+3H"	3.021828
"435865"	1696.894423	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+NH4"	18.033823
"795765"	2536.324723	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+NH4"	18.033823
"1692096"	857.464123	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+NH4"	18.033823
"341464"	848.9508495	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+H+NH4"	19.041099
"732792"	1268.6659995	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+H+NH4"	19.041099
"1485521"	429.2356995	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H+NH4"	19.041099
"399825"	1701.849818	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+Na"	22.989218
"760822"	2541.280118	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+Na"	22.989218
"1611108"	862.419518	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Na"	22.989218
"325522"	851.428547	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+H+Na"	23.996494
"713570"	1271.143697	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+H+Na"	23.996494
"1471762"	431.713397	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H+Na"	23.996494
"1063914"	288.14469	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2H+Na"	25.00377
"1266690"	872.463786	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+CH3OH+H"	33.033486
"387451"	1717.823758	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+K"	38.963158
"748446"	2557.254058	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+K"	38.963158
"1550498"	878.393458	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+K"	38.963158
"308767"	859.415517	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+H+K"	39.970434
"706983"	1279.130667	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+H+K"	39.970434
"1457195"	439.700367	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H+K"	39.970434
"247983"	1720.894426	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+ACN+H"	42.033826
"1222879"	881.464126	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+ACN+H"	42.033826
"1204580"	441.235701	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+ACN+2H"	43.041102
"202912"	1723.83176	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+2Na-H"	44.97116
"640288"	2563.26206	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+2Na-H"	44.97116
"1142703"	884.40146	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2Na-H"	44.97116
"183810"	862.419518	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+2Na"	45.978436
"622277"	1282.134668	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+2Na"	45.978436
"1127971"	442.704368	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2Na"	45.978436
"1407121"	295.472004	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H+2Na"	46.985712
"1438142"	886.443046	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H+HCOOH"	47.012746
"228934"	867.45254	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+3H2O+2H"	56.04448
"1515903"	900.49509	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+IsoProp+H"	61.06479
"418868"	870.406488	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+Na+K"	61.952376
"777675"	1290.121638	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+Na+K"	61.952376
"1671817"	450.691338	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Na+K"	61.952376
"258335"	1742.876368	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+ACN+Na"	64.015768
"1231045"	903.446068	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+ACN+Na"	64.015768
"1718836"	903.469593	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+NH4+HCOOH"	64.039293
"1184190"	302.799318	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+3Na"	68.967654
"1652989"	908.424988	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Na+HCOOH"	68.994688
"166410"	1755.77964	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+2K-H"	76.91904
"602690"	2595.20994	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+2K-H"	76.91904
"1095950"	916.34934	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2K-H"	76.91904
"145112"	878.393458	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"2M+2K"	77.926316
"582727"	1298.108608	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"3M+2K"	77.926316
"1070157"	458.678308	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2K"	77.926316
"1108966"	918.363892	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2K+H"	78.933592
"1345353"	918.451507	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+DMSO+H"	79.021207
"1010603"	922.490676	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2ACN+H"	83.060376
"1532011"	923.484308	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+IsoProp+Na+H"	84.054008
"998460"	461.748976	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+2ACN+2H"	84.067652
"1592964"	924.398928	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+K+HCOOH"	84.968628
"1420813"	954.430438	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+H+CF3COOH"	115.000138
"1151102"	482.262251	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+3ACN+2H"	125.094202
"1705026"	971.456985	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+NH4+CF3COOH"	132.026685
"1636303"	976.41238	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+Na+CF3COOH"	136.98208
"1577421"	992.38632	"C18610"	"Monoammonium glycyrrhizinate"	"C42H62O16NH3"	"839.4303"	"M+K+CF3COOH"	152.95602
"816937"	269.8809	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M"	0
"989594"	250.86251	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-H2O-H"	-19.01839
"78308"	178.913324	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M-3H"	-3.021828
"518328"	268.873624	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M-3H"	-3.021828
"893493"	88.953024	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-3H"	-3.021828
"8788"	268.873624	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M-2H"	-2.014552
"452721"	403.814074	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M-2H"	-2.014552
"830521"	133.933174	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-2H"	-2.014552
"93552"	538.754524	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M-H"	-1.007276
"533113"	808.635424	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M-H"	-1.007276
"903507"	268.873624	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-H"	-1.007276
"56788"	555.781071	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M-2H+NH4"	16.019271
"498534"	825.661971	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M-2H+NH4"	16.019271
"873054"	285.900171	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-2H+NH4"	16.019271
"35489"	560.736466	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M-2H+Na"	20.974666
"476139"	830.617366	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M-2H+Na"	20.974666
"851757"	290.855566	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-2H+Na"	20.974666
"1621292"	290.855566	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Na-2H"	20.974666
"100008"	286.861963	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M-H+Cl"	33.962126
"540663"	421.802413	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M-H+Cl"	33.962126
"933085"	151.921513	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-H+Cl"	33.962126
"274924"	574.731202	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+Cl"	34.969402
"666251"	844.612102	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+Cl"	34.969402
"1287403"	304.850302	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Cl"	34.969402
"25588"	576.710406	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M-2H+K"	36.948606
"466242"	846.591306	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M-2H+K"	36.948606
"846231"	306.829506	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-2H+K"	36.948606
"1560974"	306.829506	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+K-2H"	36.948606
"955418"	314.879094	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-H+HCOOH"	44.998194
"374363"	584.760001	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+HCOOH-H"	44.998201
"350228"	598.775651	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+Hac-H"	59.013851
"1496142"	328.894751	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Hac-H"	59.013851
"961866"	336.861051	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-H+NaCOOH"	66.980151
"113688"	304.850302	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+2Cl"	69.938804
"562360"	439.790752	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+2Cl"	69.938804
"1031162"	169.909852	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2Cl"	69.938804
"1251832"	348.799785	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Br"	78.918885
"1312095"	350.855772	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Cl+HCOOH"	80.974872
"1328496"	372.837729	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Cl+NaCOOH"	102.956829
"921742"	382.866486	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M-H+CF3COOH"	112.985586
"1299544"	418.843164	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Cl+CF3COOH"	148.962264
"1376612"	234.868224	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H-2H2O"	-35.012676
"1388644"	252.8782	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H-H2O"	-17.0027
"289788"	540.769076	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+H"	1.007276
"685855"	810.649976	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+H"	1.007276
"1356009"	270.888176	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H"	1.007276
"131814"	270.888176	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+2H"	2.014552
"579031"	405.828626	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+2H"	2.014552
"1050749"	135.947726	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2H"	2.014552
"210632"	180.927876	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+3H"	3.021828
"650191"	270.888176	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+3H"	3.021828
"1174889"	90.967576	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+3H"	3.021828
"435974"	557.795623	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+NH4"	18.033823
"796967"	827.676523	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+NH4"	18.033823
"1691113"	287.914723	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+NH4"	18.033823
"340481"	279.4014495	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+H+NH4"	19.041099
"731809"	414.3418995	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+H+NH4"	19.041099
"1485631"	144.4609995	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H+NH4"	19.041099
"399935"	562.751018	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+Na"	22.989218
"759839"	832.631918	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+Na"	22.989218
"1609031"	292.870118	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Na"	22.989218
"322350"	281.879147	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+H+Na"	23.996494
"712586"	416.819597	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+H+Na"	23.996494
"1470778"	146.938697	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H+Na"	23.996494
"1062932"	98.29489	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2H+Na"	25.00377
"1264613"	302.914386	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+CH3OH+H"	33.033486
"386466"	578.724958	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+K"	38.963158
"747462"	848.605858	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+K"	38.963158
"1547328"	308.844058	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+K"	38.963158
"309970"	289.866117	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+H+K"	39.970434
"707085"	424.806567	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+H+K"	39.970434
"1458398"	154.925667	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H+K"	39.970434
"251379"	581.795626	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+ACN+H"	42.033826
"1225016"	311.914726	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+ACN+H"	42.033826
"1206514"	156.461001	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+ACN+2H"	43.041102
"200476"	584.73296	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+2Na-H"	44.97116
"640767"	854.61386	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+2Na-H"	44.97116
"1143909"	314.85206	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2Na-H"	44.97116
"185379"	292.870118	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+2Na"	45.978436
"625303"	427.810568	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+2Na"	45.978436
"1128810"	157.929668	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2Na"	45.978436
"1410511"	105.622204	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H+2Na"	46.985712
"1441533"	316.893646	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H+HCOOH"	47.012746
"233418"	297.90314	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+3H2O+2H"	56.04448
"1519293"	330.94569	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+IsoProp+H"	61.06479
"421894"	300.857088	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+Na+K"	61.952376
"779974"	435.797538	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+Na+K"	61.952376
"1676301"	165.916638	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Na+K"	61.952376
"258448"	603.777568	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+ACN+Na"	64.015768
"1233342"	333.896668	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+ACN+Na"	64.015768
"1724414"	333.920193	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+NH4+HCOOH"	64.039293
"1184302"	112.949518	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+3Na"	68.967654
"1658569"	338.875588	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Na+HCOOH"	68.994688
"165430"	616.68084	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+2K-H"	76.91904
"602803"	886.56174	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+2K-H"	76.91904
"1092782"	346.79994	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2K-H"	76.91904
"148503"	308.844058	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"2M+2K"	77.926316
"585879"	443.784508	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"3M+2K"	77.926316
"1071485"	173.903608	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2K"	77.926316
"1105794"	348.814492	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2K+H"	78.933592
"1348622"	348.902107	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+DMSO+H"	79.021207
"1012898"	352.941276	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2ACN+H"	83.060376
"1528839"	353.934908	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+IsoProp+Na+H"	84.054008
"995290"	176.974276	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+2ACN+2H"	84.067652
"1602537"	354.849528	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+K+HCOOH"	84.968628
"1427481"	384.881038	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+H+CF3COOH"	115.000138
"1161050"	197.487551	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+3ACN+2H"	125.094202
"1708416"	401.907585	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+NH4+CF3COOH"	132.026685
"1639693"	406.86298	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+Na+CF3COOH"	136.98208
"1574251"	422.83692	"C18611"	"Phthalide"	"C8H2Cl4O2"	"269.8809"	"M+K+CF3COOH"	152.95602
"816618"	314.1047	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M"	0
"989807"	295.08631	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-H2O-H"	-19.01839
"78297"	208.395857333333	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M-3H"	-3.021828
"514711"	313.097424	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M-3H"	-3.021828
"884855"	103.694290666667	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-3H"	-3.021828
"9992"	313.097424	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M-2H"	-2.014552
"452835"	470.149774	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M-2H"	-2.014552
"831730"	156.045074	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-2H"	-2.014552
"92089"	627.202124	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M-H"	-1.007276
"523628"	941.306824	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M-H"	-1.007276
"902522"	313.097424	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-H"	-1.007276
"51431"	644.228671	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M-2H+NH4"	16.019271
"489532"	958.333371	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M-2H+NH4"	16.019271
"866607"	330.123971	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-2H+NH4"	16.019271
"33171"	649.184066	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M-2H+Na"	20.974666
"472609"	963.288766	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M-2H+Na"	20.974666
"851871"	335.079366	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-2H+Na"	20.974666
"1620310"	335.079366	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Na-2H"	20.974666
"97932"	331.085763	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M-H+Cl"	33.962126
"544056"	488.138113	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M-H+Cl"	33.962126
"934290"	174.033413	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-H+Cl"	33.962126
"278316"	663.178802	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+Cl"	34.969402
"670737"	977.283502	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+Cl"	34.969402
"1278772"	349.074102	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Cl"	34.969402
"24608"	665.158006	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M-2H+K"	36.948606
"466359"	979.262706	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M-2H+K"	36.948606
"839056"	351.053306	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-2H+K"	36.948606
"1564366"	351.053306	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+K-2H"	36.948606
"948966"	359.102894	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-H+HCOOH"	44.998194
"368280"	673.207601	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+HCOOH-H"	44.998201
"353258"	687.223251	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+Hac-H"	59.013851
"1495891"	373.118551	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Hac-H"	59.013851
"962339"	381.084851	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-H+NaCOOH"	66.980151
"116351"	349.074102	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+2Cl"	69.938804
"559922"	506.126452	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+2Cl"	69.938804
"1027625"	192.021752	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2Cl"	69.938804
"1251942"	393.023585	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Br"	78.918885
"1316578"	395.079572	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Cl+HCOOH"	80.974872
"1328607"	417.061529	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Cl+NaCOOH"	102.956829
"924406"	427.090286	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M-H+CF3COOH"	112.985586
"1299657"	463.066964	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Cl+CF3COOH"	148.962264
"1375632"	279.092024	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H-2H2O"	-35.012676
"1394950"	297.102	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H-H2O"	-17.0027
"295367"	629.216676	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+H"	1.007276
"685967"	943.321376	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+H"	1.007276
"1359399"	315.111976	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H"	1.007276
"131194"	315.111976	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+2H"	2.014552
"577320"	472.164326	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+2H"	2.014552
"1051223"	158.059626	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2H"	2.014552
"215114"	210.410409333333	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+3H"	3.021828
"655779"	315.111976	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+3H"	3.021828
"1176457"	105.708842666667	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+3H"	3.021828
"436082"	646.243223	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+NH4"	18.033823
"794894"	960.347923	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+NH4"	18.033823
"1691224"	332.138523	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+NH4"	18.033823
"341686"	323.6252495	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+H+NH4"	19.041099
"730828"	480.6775995	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+H+NH4"	19.041099
"1484648"	166.5728995	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H+NH4"	19.041099
"400049"	651.198618	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+Na"	22.989218
"758858"	965.303318	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+Na"	22.989218
"1607318"	337.093918	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Na"	22.989218
"322459"	326.102947	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+H+Na"	23.996494
"715974"	483.155297	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+H+Na"	23.996494
"1467608"	169.050597	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H+Na"	23.996494
"1060855"	113.036156666667	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2H+Na"	25.00377
"1262537"	347.138186	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+CH3OH+H"	33.033486
"384390"	667.172558	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+K"	38.963158
"745386"	981.277258	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+K"	38.963158
"1550718"	353.067858	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+K"	38.963158
"313361"	334.089917	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+H+K"	39.970434
"706593"	491.142267	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+H+K"	39.970434
"1461148"	177.037567	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H+K"	39.970434
"251125"	670.243226	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+ACN+H"	42.033826
"1223467"	356.138526	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+ACN+H"	42.033826
"1206988"	178.572901	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+ACN+2H"	43.041102
"201315"	673.18056	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+2Na-H"	44.97116
"643065"	987.28526	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+2Na-H"	44.97116
"1146971"	359.07586	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2Na-H"	44.97116
"186584"	337.093918	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+2Na"	45.978436
"625776"	494.146268	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+2Na"	45.978436
"1130868"	180.041568	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2Na"	45.978436
"1408433"	120.363470666667	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H+2Na"	46.985712
"1437271"	361.117446	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H+HCOOH"	47.012746
"233526"	342.12694	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+3H2O+2H"	56.04448
"1520495"	375.16949	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+IsoProp+H"	61.06479
"422370"	345.080888	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+Na+K"	61.952376
"781177"	502.133238	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+Na+K"	61.952376
"1676413"	188.028538	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Na+K"	61.952376
"261840"	692.225168	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+ACN+Na"	64.015768
"1235641"	378.120468	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+ACN+Na"	64.015768
"1719061"	378.143993	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+NH4+HCOOH"	64.039293
"1184413"	127.690784666667	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+3Na"	68.967654
"1661961"	383.099388	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Na+HCOOH"	68.994688
"167726"	705.12844	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+2K-H"	76.91904
"604005"	1019.23314	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+2K-H"	76.91904
"1090704"	391.02374	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2K-H"	76.91904
"147522"	353.067858	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"2M+2K"	77.926316
"595837"	510.120208	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"3M+2K"	77.926316
"1081445"	196.015508	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2K"	77.926316
"1114414"	393.038292	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2K+H"	78.933592
"1347763"	393.125907	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+DMSO+H"	79.021207
"1020792"	397.165076	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2ACN+H"	83.060376
"1535514"	398.158708	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+IsoProp+Na+H"	84.054008
"994307"	199.086176	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+2ACN+2H"	84.067652
"1592092"	399.073328	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+K+HCOOH"	84.968628
"1417022"	429.104838	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+H+CF3COOH"	115.000138
"1154601"	219.599451	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+3ACN+2H"	125.094202
"1700871"	446.131385	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+NH4+CF3COOH"	132.026685
"1636524"	451.08678	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+Na+CF3COOH"	136.98208
"1574363"	467.06072	"C18613"	"Pyraclonil"	"C15H15ClN6"	"314.1047"	"M+K+CF3COOH"	152.95602
"811291"	364.1376	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M"	0
"987742"	345.11921	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-H2O-H"	-19.01839
"77203"	241.751124	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M-3H"	-3.021828
"514821"	363.130324	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M-3H"	-3.021828
"893714"	120.371924	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-3H"	-3.021828
"10103"	363.130324	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M-2H"	-2.014552
"449664"	545.199124	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M-2H"	-2.014552
"831113"	181.061524	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-2H"	-2.014552
"91472"	727.267924	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M-H"	-1.007276
"520460"	1091.405524	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M-H"	-1.007276
"900447"	363.130324	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-H"	-1.007276
"52636"	744.294471	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M-2H+NH4"	16.019271
"490012"	1108.432071	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M-2H+NH4"	16.019271
"866718"	380.156871	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-2H+NH4"	16.019271
"34618"	749.249866	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M-2H+Na"	20.974666
"474539"	1113.387466	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M-2H+Na"	20.974666
"853076"	385.112266	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-2H+Na"	20.974666
"1622606"	385.112266	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Na-2H"	20.974666
"99135"	381.118663	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M-H+Cl"	33.962126
"540886"	563.187463	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M-H+Cl"	33.962126
"934400"	199.049863	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-H+Cl"	33.962126
"278065"	763.244602	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+Cl"	34.969402
"671581"	1127.382202	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+Cl"	34.969402
"1279974"	399.107002	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Cl"	34.969402
"23624"	765.223806	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M-2H+K"	36.948606
"463913"	1129.361406	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M-2H+K"	36.948606
"840987"	401.086206	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-2H+K"	36.948606
"1564478"	401.086206	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+K-2H"	36.948606
"950171"	409.135794	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-H+HCOOH"	44.998194
"363648"	773.273401	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+HCOOH-H"	44.998201
"354461"	787.289051	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+Hac-H"	59.013851
"1501107"	423.151451	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Hac-H"	59.013851
"967556"	431.117751	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-H+NaCOOH"	66.980151
"117556"	399.107002	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+2Cl"	69.938804
"559304"	581.175802	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+2Cl"	69.938804
"1031383"	217.038202	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2Cl"	69.938804
"1252055"	443.056485	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Br"	78.918885
"1313409"	445.112472	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Cl+HCOOH"	80.974872
"1329814"	467.094429	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Cl+NaCOOH"	102.956829
"918684"	477.123186	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M-H+CF3COOH"	112.985586
"1293206"	513.099864	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Cl+CF3COOH"	148.962264
"1381211"	329.124924	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H-2H2O"	-35.012676
"1394334"	347.1349	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H-H2O"	-17.0027
"292927"	729.282476	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+H"	1.007276
"690577"	1093.420076	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+H"	1.007276
"1365710"	365.144876	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H"	1.007276
"140301"	365.144876	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+2H"	2.014552
"580468"	547.213676	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+2H"	2.014552
"1050246"	183.076076	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2H"	2.014552
"215225"	243.765676	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+3H"	3.021828
"659813"	365.144876	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+3H"	3.021828
"1174017"	122.386476	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+3H"	3.021828
"437288"	746.309023	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+NH4"	18.033823
"799015"	1110.446623	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+NH4"	18.033823
"1694251"	382.171423	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+NH4"	18.033823
"341800"	373.6581495	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+H+NH4"	19.041099
"735315"	555.7269495	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+H+NH4"	19.041099
"1488039"	191.5893495	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H+NH4"	19.041099
"402344"	751.264418	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+Na"	22.989218
"764436"	1115.402018	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+Na"	22.989218
"1614723"	387.126818	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Na"	22.989218
"324760"	376.135847	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+H+Na"	23.996494
"718274"	558.204647	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+H+Na"	23.996494
"1472096"	194.067047	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H+Na"	23.996494
"1065340"	129.71379	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2H+Na"	25.00377
"1264834"	397.171086	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+CH3OH+H"	33.033486
"386691"	767.238358	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+K"	38.963158
"746592"	1131.375958	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+K"	38.963158
"1552291"	403.100758	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+K"	38.963158
"311653"	384.122817	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+H+K"	39.970434
"705898"	566.191617	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+H+K"	39.970434
"1460447"	202.054017	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H+K"	39.970434
"249780"	770.309026	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+ACN+H"	42.033826
"1224680"	406.171426	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+ACN+H"	42.033826
"1209777"	203.589351	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+ACN+2H"	43.041102
"203622"	773.24636	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+2Na-H"	44.97116
"643547"	1137.38396	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+2Na-H"	44.97116
"1146323"	409.10876	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2Na-H"	44.97116
"187795"	387.126818	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+2Na"	45.978436
"627591"	569.195618	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+2Na"	45.978436
"1131225"	205.058018	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2Na"	45.978436
"1413649"	137.041104	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H+2Na"	46.985712
"1443944"	411.150346	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H+HCOOH"	47.012746
"234007"	392.15984	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+3H2O+2H"	56.04448
"1523159"	425.20239	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+IsoProp+H"	61.06479
"423212"	395.113788	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+Na+K"	61.952376
"784573"	577.182588	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+Na+K"	61.952376
"1676524"	213.044988	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Na+K"	61.952376
"265232"	792.290968	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+ACN+Na"	64.015768
"1240126"	428.153368	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+ACN+Na"	64.015768
"1719171"	428.176893	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+NH4+HCOOH"	64.039293
"1185618"	144.368418	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+3Na"	68.967654
"1664257"	433.132288	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Na+HCOOH"	68.994688
"166743"	805.19424	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+2K-H"	76.91904
"605208"	1169.33184	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+2K-H"	76.91904
"1091907"	441.05664	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2K-H"	76.91904
"149817"	403.100758	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"2M+2K"	77.926316
"592666"	585.169558	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"3M+2K"	77.926316
"1079368"	221.031958	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2K"	77.926316
"1113431"	443.071192	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2K+H"	78.933592
"1345682"	443.158807	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+DMSO+H"	79.021207
"1013120"	447.197976	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2ACN+H"	83.060376
"1535625"	448.191608	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+IsoProp+Na+H"	84.054008
"998793"	224.102626	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+2ACN+2H"	84.067652
"1596578"	449.106228	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+K+HCOOH"	84.968628
"1426611"	479.137738	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+H+CF3COOH"	115.000138
"1157992"	244.615901	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+3ACN+2H"	125.094202
"1706448"	496.164285	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+NH4+CF3COOH"	132.026685
"1641007"	501.11968	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+Na+CF3COOH"	136.98208
"1574473"	517.09362	"C18614"	"Pyridaben"	"C19H25ClN2OS"	"364.1376"	"M+K+CF3COOH"	152.95602
"816470"	358.0332	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M"	0
"983842"	339.01481	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-H2O-H"	-19.01839
"78168"	237.681524	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M-3H"	-3.021828
"513837"	357.025924	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M-3H"	-3.021828
"892733"	118.337124	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-3H"	-3.021828
"12399"	357.025924	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M-2H"	-2.014552
"450863"	536.042524	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M-2H"	-2.014552
"830130"	178.009324	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-2H"	-2.014552
"90850"	715.059124	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M-H"	-1.007276
"526035"	1073.092324	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M-H"	-1.007276
"904931"	357.025924	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-H"	-1.007276
"50559"	732.085671	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M-2H+NH4"	16.019271
"494493"	1090.118871	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M-2H+NH4"	16.019271
"865005"	374.052471	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-2H+NH4"	16.019271
"31695"	737.041066	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M-2H+Na"	20.974666
"474284"	1095.074266	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M-2H+Na"	20.974666
"848638"	379.007866	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-2H+Na"	20.974666
"1620531"	379.007866	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Na-2H"	20.974666
"95601"	375.014263	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M-H+Cl"	33.962126
"535891"	554.030863	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M-H+Cl"	33.962126
"934510"	195.997663	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-H+Cl"	33.962126
"275255"	751.035802	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+Cl"	34.969402
"667676"	1109.069002	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+Cl"	34.969402
"1283728"	393.002602	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Cl"	34.969402
"19357"	753.015006	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M-2H+K"	36.948606
"464386"	1111.048206	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M-2H+K"	36.948606
"842552"	394.981806	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-2H+K"	36.948606
"1563495"	394.981806	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+K-2H"	36.948606
"953562"	403.031394	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-H+HCOOH"	44.998194
"368498"	761.064601	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+HCOOH-H"	44.998201
"356396"	775.080251	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+Hac-H"	59.013851
"1501217"	417.047051	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Hac-H"	59.013851
"965479"	425.013351	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-H+NaCOOH"	66.980151
"119490"	393.002602	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+2Cl"	69.938804
"561966"	572.019202	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+2Cl"	69.938804
"1030765"	213.986002	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2Cl"	69.938804
"1252165"	436.952085	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Br"	78.918885
"1316071"	439.008072	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Cl+HCOOH"	80.974872
"1329924"	460.990029	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Cl+NaCOOH"	102.956829
"915878"	471.018786	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M-H+CF3COOH"	112.985586
"1293680"	506.995464	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Cl+CF3COOH"	148.962264
"1380592"	323.020524	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H-2H2O"	-35.012676
"1392256"	341.0305	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H-H2O"	-17.0027
"292672"	717.073676	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+H"	1.007276
"689104"	1075.106876	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+H"	1.007276
"1364726"	359.040476	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H"	1.007276
"140165"	359.040476	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+2H"	2.014552
"578634"	538.057076	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+2H"	2.014552
"1049621"	180.023876	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2H"	2.014552
"214241"	239.696076	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+3H"	3.021828
"659162"	359.040476	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+3H"	3.021828
"1177406"	120.351676	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+3H"	3.021828
"435212"	734.100223	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+NH4"	18.033823
"798029"	1092.133423	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+NH4"	18.033823
"1691443"	376.067023	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+NH4"	18.033823
"338629"	367.5537495	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+H+NH4"	19.041099
"733237"	546.5703495	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+H+NH4"	19.041099
"1488151"	188.5371495	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H+NH4"	19.041099
"404278"	739.055618	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+Na"	22.989218
"761267"	1097.088818	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+Na"	22.989218
"1611553"	381.022418	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Na"	22.989218
"323777"	370.031447	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+H+Na"	23.996494
"715103"	549.048047	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+H+Na"	23.996494
"1471111"	191.014847	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H+Na"	23.996494
"1064356"	127.67899	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2H+Na"	25.00377
"1264943"	391.066686	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+CH3OH+H"	33.033486
"384613"	755.029558	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+K"	38.963158
"746702"	1113.062758	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+K"	38.963158
"1552403"	396.996358	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+K"	38.963158
"312127"	378.018417	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+H+K"	39.970434
"705280"	557.035017	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+H+K"	39.970434
"1458733"	199.001817	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H+K"	39.970434
"249163"	758.100226	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+ACN+H"	42.033826
"1224422"	400.067026	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+ACN+H"	42.033826
"1208669"	200.537151	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+ACN+2H"	43.041102
"203246"	761.03756	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+2Na-H"	44.97116
"642924"	1119.07076	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+2Na-H"	44.97116
"1145947"	403.00436	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2Na-H"	44.97116
"186688"	381.022418	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+2Na"	45.978436
"627461"	560.039018	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+2Na"	45.978436
"1130360"	202.005818	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2Na"	45.978436
"1413762"	135.006304	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H+2Na"	46.985712
"1441867"	405.045946	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H+HCOOH"	47.012746
"234844"	386.05544	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+3H2O+2H"	56.04448
"1522908"	419.09799	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+IsoProp+H"	61.06479
"422959"	389.009388	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+Na+K"	61.952376
"784926"	568.025988	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+Na+K"	61.952376
"1676270"	209.992788	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Na+K"	61.952376
"265707"	780.082168	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+ACN+Na"	64.015768
"1240968"	422.048968	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+ACN+Na"	64.015768
"1724749"	422.072493	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+NH4+HCOOH"	64.039293
"1189008"	142.333618	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+3Na"	68.967654
"1664367"	427.027888	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Na+HCOOH"	68.994688
"165759"	792.98544	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+2K-H"	76.91904
"605319"	1151.01864	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+2K-H"	76.91904
"1093111"	434.95224	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2K-H"	76.91904
"147014"	396.996358	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"2M+2K"	77.926316
"592776"	576.012958	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"3M+2K"	77.926316
"1081544"	217.979758	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2K"	77.926316
"1112690"	436.966792	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2K+H"	78.933592
"1346885"	437.054407	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+DMSO+H"	79.021207
"1014325"	441.093576	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2ACN+H"	83.060376
"1533548"	442.087208	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+IsoProp+Na+H"	84.054008
"998903"	221.050426	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+2ACN+2H"	84.067652
"1596689"	443.001828	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+K+HCOOH"	84.968628
"1421254"	473.033338	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+H+CF3COOH"	115.000138
"1154822"	241.563701	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+3ACN+2H"	125.094202
"1705465"	490.059885	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+NH4+CF3COOH"	132.026685
"1643304"	495.01528	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+Na+CF3COOH"	136.98208
"1575676"	510.98922	"C18615"	"Triflumuron;Trifluron"	"C15H10ClF3N2O3"	"358.0332"	"M+K+CF3COOH"	152.95602
"808233"	208.1212	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M"	0
"988327"	189.10281	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-H2O-H"	-19.01839
"74388"	137.740190666667	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M-3H"	-3.021828
"515038"	207.113924	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M-3H"	-3.021828
"892841"	68.3664573333333	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-3H"	-3.021828
"11416"	207.113924	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M-2H"	-2.014552
"446605"	311.174524	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M-2H"	-2.014552
"824406"	103.053324	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-2H"	-2.014552
"84397"	415.235124	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M-H"	-1.007276
"526146"	623.356324	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M-H"	-1.007276
"899574"	207.113924	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-H"	-1.007276
"52854"	432.261671	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M-2H+NH4"	16.019271
"490230"	640.382871	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M-2H+NH4"	16.019271
"868033"	224.140471	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-2H+NH4"	16.019271
"32772"	437.217066	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M-2H+Na"	20.974666
"478776"	645.338266	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M-2H+Na"	20.974666
"853296"	229.095866	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-2H+Na"	20.974666
"1623924"	229.095866	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Na-2H"	20.974666
"103733"	225.102263	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M-H+Cl"	33.962126
"545485"	329.162863	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M-H+Cl"	33.962126
"940702"	121.041663	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-H+Cl"	33.962126
"277556"	451.211802	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+Cl"	34.969402
"671434"	659.333002	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+Cl"	34.969402
"1280557"	243.090602	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Cl"	34.969402
"21655"	453.191006	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M-2H+K"	36.948606
"469851"	661.312206	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M-2H+K"	36.948606
"841212"	245.069806	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-2H+K"	36.948606
"1563606"	245.069806	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+K-2H"	36.948606
"947118"	253.119394	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-H+HCOOH"	44.998194
"370801"	461.240601	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+HCOOH-H"	44.998201
"354686"	475.256251	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+Hac-H"	59.013851
"1498050"	267.135051	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Hac-H"	59.013851
"963403"	275.101351	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-H+NaCOOH"	66.980151
"114499"	243.090602	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+2Cl"	69.938804
"553328"	347.151202	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+2Cl"	69.938804
"1026137"	139.030002	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2Cl"	69.938804
"1244621"	287.040085	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Br"	78.918885
"1309256"	289.096072	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Cl+HCOOH"	80.974872
"1325659"	311.078029	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Cl+NaCOOH"	102.956829
"916719"	321.106786	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M-H+CF3COOH"	112.985586
"1293428"	357.083464	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Cl+CF3COOH"	148.962264
"1369037"	173.108524	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H-2H2O"	-35.012676
"1387996"	191.1185	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H-H2O"	-17.0027
"293151"	417.249676	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+H"	1.007276
"686664"	625.370876	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+H"	1.007276
"1359731"	209.128476	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H"	1.007276
"138096"	209.128476	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+2H"	2.014552
"575475"	313.189076	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+2H"	2.014552
"1049742"	105.067876	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2H"	2.014552
"213269"	139.754742666667	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+3H"	3.021828
"649550"	209.128476	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+3H"	3.021828
"1170955"	70.3810093333333	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+3H"	3.021828
"432041"	434.276223	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+NH4"	18.033823
"787933"	642.397423	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+NH4"	18.033823
"1687180"	226.155023	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+NH4"	18.033823
"331813"	217.6417495	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+H+NH4"	19.041099
"724963"	321.7023495	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+H+NH4"	19.041099
"1482797"	113.5811495	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H+NH4"	19.041099
"399290"	439.231618	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+Na"	22.989218
"760284"	647.352818	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+Na"	22.989218
"1607289"	231.110418	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Na"	22.989218
"320606"	220.119447	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+H+Na"	23.996494
"709746"	324.180047	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+H+Na"	23.996494
"1464661"	116.058847	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H+Na"	23.996494
"1057906"	77.7083233333333	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2H+Na"	25.00377
"1261770"	241.154686	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+CH3OH+H"	33.033486
"382534"	455.205558	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+K"	38.963158
"750091"	663.326758	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+K"	38.963158
"1548866"	247.084358	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+K"	38.963158
"310415"	228.106417	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+H+K"	39.970434
"699557"	332.167017	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+H+K"	39.970434
"1457751"	124.045817	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H+K"	39.970434
"249997"	458.276226	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+ACN+H"	42.033826
"1223802"	250.155026	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+ACN+H"	42.033826
"1206230"	125.581151	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+ACN+2H"	43.041102
"203234"	461.21356	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+2Na-H"	44.97116
"641579"	669.33476	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+2Na-H"	44.97116
"1144354"	253.09236	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2Na-H"	44.97116
"186914"	231.110418	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+2Na"	45.978436
"619551"	335.171018	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+2Na"	45.978436
"1121964"	127.049818	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2Na"	45.978436
"1407674"	85.0356373333333	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H+2Na"	46.985712
"1439790"	255.133946	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H+HCOOH"	47.012746
"233495"	236.14344	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+3H2O+2H"	56.04448
"1524075"	269.18599	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+IsoProp+H"	61.06479
"421607"	239.097388	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+Na+K"	61.952376
"777134"	343.157988	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+Na+K"	61.952376
"1675652"	135.036788	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Na+K"	61.952376
"264357"	480.258168	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+ACN+Na"	64.015768
"1240346"	272.136968	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+ACN+Na"	64.015768
"1720483"	272.160493	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+NH4+HCOOH"	64.039293
"1186930"	92.3629513333333	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+3Na"	68.967654
"1654639"	277.115888	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Na+HCOOH"	68.994688
"165868"	493.16144	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+2K-H"	76.91904
"607624"	701.28264	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+2K-H"	76.91904
"1098706"	285.04024	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2K-H"	76.91904
"155767"	247.084358	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"2M+2K"	77.926316
"595570"	351.144958	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"3M+2K"	77.926316
"1079601"	143.023758	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2K"	77.926316
"1110260"	287.054792	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2K+H"	78.933592
"1347740"	287.142407	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+DMSO+H"	79.021207
"1013352"	291.181576	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2ACN+H"	83.060376
"1525885"	292.175208	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+IsoProp+Na+H"	84.054008
"1000111"	146.094426	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+2ACN+2H"	84.067652
"1594615"	293.089828	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+K+HCOOH"	84.968628
"1426833"	323.121338	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+H+CF3COOH"	115.000138
"1157119"	166.607701	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+3ACN+2H"	125.094202
"1702297"	340.147885	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+NH4+CF3COOH"	132.026685
"1635763"	345.10328	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+Na+CF3COOH"	136.98208
"1575788"	361.07722	"C18619"	"4-Dimethylamino-L-phenylalanine"	"C11H16N2O2"	"208.1212"	"M+K+CF3COOH"	152.95602
"805063"	139.0269	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M"	0
"985157"	120.00851	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-H2O-H"	-19.01839
"77415"	91.677324	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M-3H"	-3.021828
"512964"	138.019624	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M-3H"	-3.021828
"887484"	45.335024	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-3H"	-3.021828
"9338"	138.019624	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M-2H"	-2.014552
"449997"	207.533074	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M-2H"	-2.014552
"825611"	68.506174	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-2H"	-2.014552
"85602"	277.046524	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M-H"	-1.007276
"525163"	416.073424	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M-H"	-1.007276
"900777"	138.019624	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-H"	-1.007276
"49686"	294.073071	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M-2H+NH4"	16.019271
"488637"	433.099971	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M-2H+NH4"	16.019271
"868145"	155.046171	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-2H+NH4"	16.019271
"40419"	299.028466	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M-2H+Na"	20.974666
"476700"	438.055366	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M-2H+Na"	20.974666
"853409"	160.001566	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-2H+Na"	20.974666
"1629504"	160.001566	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Na-2H"	20.974666
"101658"	156.007963	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M-H+Cl"	33.962126
"544501"	225.521413	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M-H+Cl"	33.962126
"936923"	86.494513	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-H+Cl"	33.962126
"276936"	313.023202	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+Cl"	34.969402
"668264"	452.050102	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+Cl"	34.969402
"1282856"	173.996302	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Cl"	34.969402
"23224"	315.002406	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M-2H+K"	36.948606
"467892"	454.029306	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M-2H+K"	36.948606
"836950"	175.975506	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-2H+K"	36.948606
"1563716"	175.975506	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+K-2H"	36.948606
"952696"	184.025094	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-H+HCOOH"	44.998194
"374558"	323.052001	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+HCOOH-H"	44.998201
"358077"	337.067651	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+Hac-H"	59.013851
"1502534"	198.040751	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Hac-H"	59.013851
"964608"	206.007051	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-H+NaCOOH"	66.980151
"114610"	173.996302	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+2Cl"	69.938804
"554168"	243.509752	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+2Cl"	69.938804
"1027705"	104.482852	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2Cl"	69.938804
"1246919"	217.945785	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Br"	78.918885
"1311555"	220.001772	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Cl+HCOOH"	80.974872
"1326863"	241.983729	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Cl+NaCOOH"	102.956829
"917922"	252.012486	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M-H+CF3COOH"	112.985586
"1294635"	287.989164	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Cl+CF3COOH"	148.962264
"1373888"	104.014224	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H-2H2O"	-35.012676
"1390293"	122.0242	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H-H2O"	-17.0027
"297636"	279.061076	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+H"	1.007276
"688965"	418.087976	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+H"	1.007276
"1366409"	140.034176	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H"	1.007276
"138206"	140.034176	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+2H"	2.014552
"577408"	209.547626	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+2H"	2.014552
"1046573"	70.520726	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2H"	2.014552
"212286"	93.691876	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+3H"	3.021828
"648566"	140.034176	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+3H"	3.021828
"1168879"	47.349576	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+3H"	3.021828
"429965"	296.087623	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+NH4"	18.033823
"787676"	435.114523	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+NH4"	18.033823
"1685101"	157.060723	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+NH4"	18.033823
"333744"	148.5474495	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+H+NH4"	19.041099
"729082"	218.0608995	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+H+NH4"	19.041099
"1479990"	79.0339995	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H+NH4"	19.041099
"397211"	301.043018	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+Na"	22.989218
"758208"	440.069918	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+Na"	22.989218
"1606306"	162.016118	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Na"	22.989218
"319622"	151.025147	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+H+Na"	23.996494
"709859"	220.538597	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+H+Na"	23.996494
"1462343"	81.511697	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H+Na"	23.996494
"1055832"	54.67689	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2H+Na"	25.00377
"1259696"	172.060386	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+CH3OH+H"	33.033486
"380458"	317.016958	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+K"	38.963158
"741455"	456.043858	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+K"	38.963158
"1552257"	177.990058	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+K"	38.963158
"310525"	159.012117	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+H+K"	39.970434
"704041"	228.525567	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+H+K"	39.970434
"1459685"	89.498667	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H+K"	39.970434
"250473"	320.087626	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+ACN+H"	42.033826
"1222816"	181.060726	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+ACN+H"	42.033826
"1207434"	91.034001	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+ACN+2H"	43.041102
"203709"	323.02496	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+2Na-H"	44.97116
"644031"	462.05186	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+2Na-H"	44.97116
"1146128"	183.99806	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2Na-H"	44.97116
"187388"	162.016118	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+2Na"	45.978436
"626222"	231.529568	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+2Na"	45.978436
"1124262"	92.502668	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2Na"	45.978436
"1409971"	62.004204	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H+2Na"	46.985712
"1441723"	186.039646	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H+HCOOH"	47.012746
"234579"	167.04914	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+3H2O+2H"	56.04448
"1523573"	200.09169	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+IsoProp+H"	61.06479
"424070"	170.003088	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+Na+K"	61.952376
"782347"	239.516538	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+Na+K"	61.952376
"1680381"	100.489638	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Na+K"	61.952376
"266657"	342.069568	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+ACN+Na"	64.015768
"1241071"	203.042668	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+ACN+Na"	64.015768
"1727523"	203.066193	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+NH4+HCOOH"	64.039293
"1191780"	69.331518	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+3Na"	68.967654
"1658029"	208.021588	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Na+HCOOH"	68.994688
"165981"	354.97284	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+2K-H"	76.91904
"607734"	493.99974	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+2K-H"	76.91904
"1098335"	215.94594	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2K-H"	76.91904
"156364"	177.990058	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"2M+2K"	77.926316
"596162"	247.503508	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"3M+2K"	77.926316
"1081168"	108.476608	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2K"	77.926316
"1114009"	217.960492	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2K+H"	78.933592
"1348936"	218.048107	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+DMSO+H"	79.021207
"1015648"	222.087276	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2ACN+H"	83.060376
"1535958"	223.080908	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+IsoProp+Na+H"	84.054008
"1003500"	111.547276	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+2ACN+2H"	84.067652
"1599095"	223.995528	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+K+HCOOH"	84.968628
"1426942"	254.027038	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+H+CF3COOH"	115.000138
"1153949"	132.060551	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+3ACN+2H"	125.094202
"1705687"	271.053585	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+NH4+CF3COOH"	132.026685
"1635873"	276.00898	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+Na+CF3COOH"	136.98208
"1575898"	291.98292	"C18620"	"3-Hydroxypicolinic acid"	"C6H5NO3"	"139.0269"	"M+K+CF3COOH"	152.95602
"813922"	189.0426	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M"	0
"986360"	170.02421	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-H2O-H"	-19.01839
"78216"	125.021124	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M-3H"	-3.021828
"517450"	188.035324	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M-3H"	-3.021828
"893793"	62.006924	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-3H"	-3.021828
"15363"	188.035324	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M-2H"	-2.014552
"450107"	282.556624	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M-2H"	-2.014552
"825723"	93.514024	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-2H"	-2.014552
"83526"	377.077924	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M-H"	-1.007276
"528556"	566.120524	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M-H"	-1.007276
"898702"	188.035324	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-H"	-1.007276
"50889"	394.104471	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M-2H+NH4"	16.019271
"491544"	583.147071	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M-2H+NH4"	16.019271
"872628"	205.061871	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-2H+NH4"	16.019271
"40530"	399.059866	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M-2H+Na"	20.974666
"481183"	588.102466	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M-2H+Na"	20.974666
"857892"	210.017266	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-2H+Na"	20.974666
"1628520"	210.017266	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Na-2H"	20.974666
"106141"	206.023663	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M-H+Cl"	33.962126
"549898"	300.544963	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M-H+Cl"	33.962126
"941165"	111.502363	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-H+Cl"	33.962126
"279962"	413.054602	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+Cl"	34.969402
"671291"	602.097202	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+Cl"	34.969402
"1285882"	224.012002	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Cl"	34.969402
"24064"	415.033806	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M-2H+K"	36.948606
"469090"	604.076406	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M-2H+K"	36.948606
"839246"	225.991206	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-2H+K"	36.948606
"1562732"	225.991206	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+K-2H"	36.948606
"954627"	234.040794	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-H+HCOOH"	44.998194
"375761"	423.083401	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+HCOOH-H"	44.998201
"356364"	437.099051	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+Hac-H"	59.013851
"1502280"	248.056451	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Hac-H"	59.013851
"968363"	256.022751	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-H+NaCOOH"	66.980151
"115810"	224.012002	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+2Cl"	69.938804
"554279"	318.533302	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+2Cl"	69.938804
"1026358"	129.490702	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2Cl"	69.938804
"1243750"	267.961485	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Br"	78.918885
"1308385"	270.017472	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Cl+HCOOH"	80.974872
"1321873"	291.999429	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Cl+NaCOOH"	102.956829
"915846"	302.028186	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M-H+CF3COOH"	112.985586
"1293648"	338.004864	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Cl+CF3COOH"	148.962264
"1379468"	154.029924	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H-2H2O"	-35.012676
"1389310"	172.0399	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H-H2O"	-17.0027
"297507"	379.092476	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+H"	1.007276
"690539"	568.135076	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+H"	1.007276
"1366797"	190.049876	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H"	1.007276
"140628"	190.049876	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+2H"	2.014552
"575695"	284.571176	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+2H"	2.014552
"1050329"	95.528576	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2H"	2.014552
"210573"	127.035676	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+3H"	3.021828
"649404"	190.049876	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+3H"	3.021828
"1168989"	64.021476	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+3H"	3.021828
"430075"	396.119023	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+NH4"	18.033823
"792162"	585.161623	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+NH4"	18.033823
"1688494"	207.076423	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+NH4"	18.033823
"337865"	198.5631495	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+H+NH4"	19.041099
"731380"	293.0844495	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+H+NH4"	19.041099
"1480825"	104.0418495	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H+NH4"	19.041099
"396590"	401.074418	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+Na"	22.989218
"759409"	590.117018	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+Na"	22.989218
"1605323"	212.031818	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Na"	22.989218
"320824"	201.040847	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+H+Na"	23.996494
"708876"	295.562147	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+H+Na"	23.996494
"1463792"	106.519547	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H+Na"	23.996494
"1055943"	71.34879	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2H+Na"	25.00377
"1257983"	222.076086	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+CH3OH+H"	33.033486
"380569"	417.048358	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+K"	38.963158
"749220"	606.090958	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+K"	38.963158
"1554190"	228.005758	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+K"	38.963158
"314043"	209.027817	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+H+K"	39.970434
"705974"	303.549117	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+H+K"	39.970434
"1459064"	114.506517	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H+K"	39.970434
"249854"	420.119026	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+ACN+H"	42.033826
"1225287"	231.076426	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+ACN+H"	42.033826
"1208884"	116.041851	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+ACN+2H"	43.041102
"204082"	423.05636	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+2Na-H"	44.97116
"643621"	612.09896	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+2Na-H"	44.97116
"1146650"	234.01376	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2Na-H"	44.97116
"187866"	212.031818	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+2Na"	45.978436
"627185"	306.553118	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+2Na"	45.978436
"1129475"	117.510518	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2Na"	45.978436
"1408987"	78.676104	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H+2Na"	46.985712
"1445358"	236.055346	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H+HCOOH"	47.012746
"235174"	217.06484	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+3H2O+2H"	56.04448
"1523562"	250.10739	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+IsoProp+H"	61.06479
"421828"	220.018788	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+Na+K"	61.952376
"783916"	314.540088	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+Na+K"	61.952376
"1679883"	125.497488	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Na+K"	61.952376
"264214"	442.100968	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+ACN+Na"	64.015768
"1241263"	253.058368	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+ACN+Na"	64.015768
"1727268"	253.081893	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+NH4+HCOOH"	64.039293
"1187151"	86.003418	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+3Na"	68.967654
"1658139"	258.037288	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Na+HCOOH"	68.994688
"164998"	455.00424	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+2K-H"	76.91904
"608937"	644.04684	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+2K-H"	76.91904
"1099295"	265.96164	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2K-H"	76.91904
"155620"	228.005758	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"2M+2K"	77.926316
"597004"	322.527058	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"3M+2K"	77.926316
"1080184"	133.484458	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2K"	77.926316
"1113031"	267.976192	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2K+H"	78.933592
"1346862"	268.063807	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+DMSO+H"	79.021207
"1015760"	272.102976	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2ACN+H"	83.060376
"1534975"	273.096608	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+IsoProp+Na+H"	84.054008
"1004340"	136.555126	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+2ACN+2H"	84.067652
"1600663"	274.011228	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+K+HCOOH"	84.968628
"1429729"	304.042738	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+H+CF3COOH"	115.000138
"1160619"	157.068401	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+3ACN+2H"	125.094202
"1709077"	321.069285	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+NH4+CF3COOH"	132.026685
"1640358"	326.02468	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+Na+CF3COOH"	136.98208
"1574914"	341.99862	"C18621"	"3-Hydroxyquinaldic acid"	"C10H7NO3"	"189.0426"	"M+K+CF3COOH"	152.95602
"811844"	195.0895	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M"	0
"977722"	176.07111	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-H2O-H"	-19.01839
"77273"	129.052390666667	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M-3H"	-3.021828
"517560"	194.082224	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M-3H"	-3.021828
"894266"	64.0225573333333	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-3H"	-3.021828
"12839"	194.082224	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M-2H"	-2.014552
"450217"	291.626974	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M-2H"	-2.014552
"825833"	96.537474	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-2H"	-2.014552
"83636"	389.171724	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M-H"	-1.007276
"526479"	584.261224	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M-H"	-1.007276
"897717"	194.082224	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-H"	-1.007276
"49905"	406.198271	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+NH4"	16.019271
"489467"	601.287771	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+NH4"	16.019271
"872738"	211.108771	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-2H+NH4"	16.019271
"39546"	411.153666	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+Na"	20.974666
"481295"	606.243166	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+Na"	20.974666
"859097"	216.064166	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-2H+Na"	20.974666
"1633955"	216.064166	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Na-2H"	20.974666
"104066"	212.070563	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M-H+Cl"	33.962126
"549752"	309.615313	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M-H+Cl"	33.962126
"941397"	114.525813	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-H+Cl"	33.962126
"282506"	425.148402	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+Cl"	34.969402
"674318"	620.237902	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+Cl"	34.969402
"1283805"	230.058902	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Cl"	34.969402
"24174"	427.127606	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+K"	36.948606
"462641"	622.217106	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+K"	36.948606
"840450"	232.038106	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-2H+K"	36.948606
"1568311"	232.038106	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+K-2H"	36.948606
"952914"	240.087694	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-H+HCOOH"	44.998194
"371862"	435.177201	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+HCOOH-H"	44.998201
"353923"	449.192851	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+Hac-H"	59.013851
"1504578"	254.103351	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Hac-H"	59.013851
"963734"	262.069651	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-H+NaCOOH"	66.980151
"113736"	230.058902	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+2Cl"	69.938804
"554387"	327.603652	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+2Cl"	69.938804
"1026468"	132.514152	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2Cl"	69.938804
"1243128"	274.008385	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Br"	78.918885
"1305213"	276.064372	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+HCOOH"	80.974872
"1322711"	298.046329	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+NaCOOH"	102.956829
"913768"	308.075086	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M-H+CF3COOH"	112.985586
"1292664"	344.051764	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+CF3COOH"	148.962264
"1374105"	160.076824	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H-2H2O"	-35.012676
"1397074"	178.0868	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H-H2O"	-17.0027
"298104"	391.186276	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+H"	1.007276
"690649"	586.275776	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+H"	1.007276
"1366471"	196.096776	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H"	1.007276
"139517"	196.096776	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+2H"	2.014552
"579815"	293.641526	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+2H"	2.014552
"1048982"	98.552026	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2H"	2.014552
"211413"	131.066942666667	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+3H"	3.021828
"648785"	196.096776	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+3H"	3.021828
"1167277"	66.0371093333333	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+3H"	3.021828
"431279"	408.212823	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+NH4"	18.033823
"790449"	603.302323	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+NH4"	18.033823
"1687509"	213.123323	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+NH4"	18.033823
"336882"	204.6100495	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+H+NH4"	19.041099
"730397"	302.1547995	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+H+NH4"	19.041099
"1479846"	107.0652995	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H+NH4"	19.041099
"397063"	413.168218	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+Na"	22.989218
"758425"	608.257718	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+Na"	22.989218
"1605431"	218.078718	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Na"	22.989218
"318748"	207.087747	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+H+Na"	23.996494
"708134"	304.632497	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+H+Na"	23.996494
"1461956"	109.542997	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H+Na"	23.996494
"1055079"	73.3644233333333	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2H+Na"	25.00377
"1258094"	228.122986	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+CH3OH+H"	33.033486
"380679"	429.142158	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+K"	38.963158
"746050"	624.231658	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+K"	38.963158
"1552842"	234.052658	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+K"	38.963158
"308558"	215.074717	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+H+K"	39.970434
"703168"	312.619467	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+H+K"	39.970434
"1459174"	117.529967	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H+K"	39.970434
"250574"	432.212826	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+ACN+H"	42.033826
"1224134"	237.123326	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+H"	42.033826
"1209732"	119.065301	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+2H"	43.041102
"204249"	435.15016	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+2Na-H"	44.97116
"642883"	630.23966	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+2Na-H"	44.97116
"1146594"	240.06066	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2Na-H"	44.97116
"187491"	218.078718	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+2Na"	45.978436
"626809"	315.623468	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+2Na"	45.978436
"1129585"	120.533968	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2Na"	45.978436
"1409097"	80.6917373333333	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H+2Na"	46.985712
"1445108"	242.102246	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H+HCOOH"	47.012746
"234069"	223.11174	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+3H2O+2H"	56.04448
"1523347"	256.15429	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+H"	61.06479
"420845"	226.065688	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+Na+K"	61.952376
"782933"	323.610438	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+Na+K"	61.952376
"1677077"	128.520938	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Na+K"	61.952376
"264688"	454.194768	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+ACN+Na"	64.015768
"1240559"	259.105268	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+Na"	64.015768
"1724825"	259.128793	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+NH4+HCOOH"	64.039293
"1186168"	88.0190513333333	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+3Na"	68.967654
"1658249"	264.084188	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Na+HCOOH"	68.994688
"164015"	467.09804	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+2K-H"	76.91904
"609047"	662.18754	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+2K-H"	76.91904
"1099524"	272.00854	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2K-H"	76.91904
"155128"	234.052658	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"2M+2K"	77.926316
"595410"	331.597408	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"3M+2K"	77.926316
"1079202"	136.507908	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2K"	77.926316
"1115208"	274.023092	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2K+H"	78.933592
"1349524"	274.110707	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+DMSO+H"	79.021207
"1016963"	278.149876	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2ACN+H"	83.060376
"1536178"	279.143508	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+Na+H"	84.054008
"1002627"	139.578576	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+2ACN+2H"	84.067652
"1602230"	280.058128	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+K+HCOOH"	84.968628
"1428986"	310.089638	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+H+CF3COOH"	115.000138
"1160732"	160.091851	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+3ACN+2H"	125.094202
"1710282"	327.116185	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+NH4+CF3COOH"	132.026685
"1638281"	332.07158	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+Na+CF3COOH"	136.98208
"1572838"	348.04552	"C18622"	"L-Homotyrosine"	"C10H13NO3"	"195.0895"	"M+K+CF3COOH"	152.95602
"811954"	151.0633	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M"	0
"982205"	132.04491	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"77626"	99.7015906666667	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"517916"	150.056024	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"893648"	49.3471573333333	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"9669"	150.056024	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"451058"	225.587674	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"829223"	74.524374	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"91037"	301.119324	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"530235"	452.182624	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"898557"	150.056024	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"55484"	318.145871	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"491765"	469.209171	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"869569"	167.082571	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"45126"	323.101266	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"481405"	474.164566	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"861762"	172.037966	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1633125"	172.037966	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"103083"	168.044363	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"549332"	243.576013	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"941875"	92.512713	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"282092"	337.096002	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"671511"	488.159302	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1281728"	186.032702	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"22097"	339.075206	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"462750"	490.138506	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"837279"	188.011906	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1564046"	188.011906	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"949743"	196.061494	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"364677"	347.124801	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"351843"	361.140451	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1499580"	210.077151	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"964936"	218.043451	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"117124"	186.032702	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"556685"	261.564352	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1024390"	110.501052	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1243969"	229.982185	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1310791"	232.038172	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1323913"	254.020129	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"914971"	264.048886	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1290586"	300.025564	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1369475"	116.050624	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1389529"	134.0606	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"297967"	303.133876	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"690390"	454.197176	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1366866"	152.070576	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"141055"	152.070576	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"578102"	227.602226	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1045810"	76.538926	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"213710"	101.716142666667	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"648531"	152.070576	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1168479"	51.3617093333333	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"427375"	320.160423	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"794569"	471.223723	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1688346"	169.097123	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"335169"	160.5838495	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"727591"	236.1154995	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1481412"	85.0521995	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"398632"	325.115818	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"759628"	476.179118	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1608822"	174.052518	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"325419"	163.061547	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"710188"	238.593197	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1462917"	87.529897	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1056164"	58.6890233333333	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1257963"	184.096786	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"381883"	341.089758	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"751627"	492.153058	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1554410"	190.026458	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"311224"	171.048517	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"706685"	246.580167	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1460874"	95.516867	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"250934"	344.160426	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1225568"	193.097126	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1209555"	97.052201	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"204169"	347.09776	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"644132"	498.16106	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1146745"	196.03446	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"188089"	174.052518	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"628019"	249.584168	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1130182"	98.520868	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1413474"	66.0163373333333	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1445099"	198.076046	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"235159"	179.08554	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1523587"	212.12809	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"423024"	182.039488	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"784746"	257.571138	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1680472"	106.507838	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"266387"	366.142368	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1238602"	215.079068	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1726394"	215.102593	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1191747"	73.3436513333333	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1663462"	220.057988	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"165218"	379.04564	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"611952"	530.10894	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1098783"	227.98234	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"154875"	190.026458	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"593699"	265.558108	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1080763"	114.494808	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1113252"	229.996892	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1350729"	230.084507	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1016708"	234.123676	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1534102"	235.117308	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"1002373"	117.565476	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1600885"	236.031928	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1429219"	266.063438	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1162421"	138.078751	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1710392"	283.089985	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1639485"	288.04538	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1572948"	304.01932	"C18623"	"L-Phenylglycine;Phenylglycine"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"805504"	174.0429	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M"	0
"979037"	155.02451	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-H2O-H"	-19.01839
"76030"	115.021324	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M-3H"	-3.021828
"518489"	173.035624	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M-3H"	-3.021828
"895603"	57.007024	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-3H"	-3.021828
"15008"	173.035624	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M-2H"	-2.014552
"453718"	260.057074	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M-2H"	-2.014552
"831886"	86.014174	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-2H"	-2.014552
"90418"	347.078524	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M-H"	-1.007276
"529981"	521.121424	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M-H"	-1.007276
"905595"	173.035624	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-H"	-1.007276
"53408"	364.105071	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M-2H+NH4"	16.019271
"490781"	538.147971	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M-2H+NH4"	16.019271
"870771"	190.062171	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-2H+NH4"	16.019271
"38674"	369.060466	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M-2H+Na"	20.974666
"478234"	543.103366	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M-2H+Na"	20.974666
"859316"	195.017566	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-2H+Na"	20.974666
"1629943"	195.017566	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Na-2H"	20.974666
"103193"	191.023963	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M-H+Cl"	33.962126
"548950"	278.045413	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M-H+Cl"	33.962126
"941864"	104.002513	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-H+Cl"	33.962126
"282003"	383.055202	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+Cl"	34.969402
"673327"	557.098102	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+Cl"	34.969402
"1285119"	209.012302	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Cl"	34.969402
"26582"	385.034406	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M-2H+K"	36.948606
"468332"	559.077306	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M-2H+K"	36.948606
"838483"	210.991506	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-2H+K"	36.948606
"1559784"	210.991506	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+K-2H"	36.948606
"949854"	219.041094	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-H+HCOOH"	44.998194
"371351"	393.084001	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+HCOOH-H"	44.998201
"353046"	407.099651	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+Hac-H"	59.013851
"1497507"	233.056751	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Hac-H"	59.013851
"961766"	241.023051	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-H+NaCOOH"	66.980151
"117234"	209.012302	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+2Cl"	69.938804
"551690"	296.033752	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+2Cl"	69.938804
"1024864"	121.990852	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2Cl"	69.938804
"1245173"	252.961785	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Br"	78.918885
"1307256"	255.017772	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Cl+HCOOH"	80.974872
"1321228"	276.999729	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Cl+NaCOOH"	102.956829
"913989"	287.028486	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M-H+CF3COOH"	112.985586
"1295071"	323.005164	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Cl+CF3COOH"	148.962264
"1373232"	139.030224	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H-2H2O"	-35.012676
"1397296"	157.0402	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H-H2O"	-17.0027
"295889"	349.093076	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+H"	1.007276
"690379"	523.135976	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+H"	1.007276
"1366486"	175.050176	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H"	1.007276
"141329"	175.050176	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+2H"	2.014552
"579306"	262.071626	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+2H"	2.014552
"1045920"	88.028726	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2H"	2.014552
"211634"	117.035876	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+3H"	3.021828
"650098"	175.050176	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+3H"	3.021828
"1169682"	59.021576	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+3H"	3.021828
"434046"	366.119623	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+NH4"	18.033823
"793949"	540.162523	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+NH4"	18.033823
"1691372"	192.076723	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+NH4"	18.033823
"335279"	183.5634495	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+H+NH4"	19.041099
"727340"	270.5848995	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+H+NH4"	19.041099
"1481161"	96.5419995	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H+NH4"	19.041099
"395467"	371.075018	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+Na"	22.989218
"755369"	545.117918	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+Na"	22.989218
"1607841"	197.032118	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Na"	22.989218
"322252"	186.041147	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+H+Na"	23.996494
"712488"	273.062597	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+H+Na"	23.996494
"1462176"	99.019697	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H+Na"	23.996494
"1057368"	66.34889	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2H+Na"	25.00377
"1262327"	207.076386	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+CH3OH+H"	33.033486
"378715"	387.048958	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+K"	38.963158
"746272"	561.091858	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+K"	38.963158
"1543952"	213.006058	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+K"	38.963158
"307689"	194.028117	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+H+K"	39.970434
"705583"	281.049567	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+H+K"	39.970434
"1459034"	107.006667	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H+K"	39.970434
"250191"	390.119626	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+ACN+H"	42.033826
"1224360"	216.076726	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+ACN+H"	42.033826
"1208857"	108.542001	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+ACN+2H"	43.041102
"203429"	393.05696	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+2Na-H"	44.97116
"638120"	567.09986	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+2Na-H"	44.97116
"1145393"	219.01406	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2Na-H"	44.97116
"187961"	197.032118	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+2Na"	45.978436
"622289"	284.053568	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+2Na"	45.978436
"1129562"	110.010668	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2Na"	45.978436
"1413088"	73.676204	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H+2Na"	46.985712
"1444116"	221.055646	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H+HCOOH"	47.012746
"233319"	202.06514	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+3H2O+2H"	56.04448
"1523575"	235.10769	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+IsoProp+H"	61.06479
"423500"	205.019088	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+Na+K"	61.952376
"783645"	292.040538	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+Na+K"	61.952376
"1680217"	117.997638	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Na+K"	61.952376
"265640"	412.101568	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+ACN+Na"	64.015768
"1240170"	238.058668	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+ACN+Na"	64.015768
"1725045"	238.082193	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+NH4+HCOOH"	64.039293
"1191493"	81.003518	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+3Na"	68.967654
"1663208"	243.037588	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Na+HCOOH"	68.994688
"171893"	425.00484	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+2K-H"	76.91904
"610361"	599.04774	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+2K-H"	76.91904
"1098896"	250.96194	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2K-H"	76.91904
"152434"	213.006058	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"2M+2K"	77.926316
"596248"	300.027508	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"3M+2K"	77.926316
"1082335"	125.984608	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2K"	77.926316
"1111175"	252.976492	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2K+H"	78.933592
"1350234"	253.064107	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+DMSO+H"	79.021207
"1016089"	257.103276	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2ACN+H"	83.060376
"1535308"	258.096908	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+IsoProp+Na+H"	84.054008
"1000662"	129.055276	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+2ACN+2H"	84.067652
"1597351"	259.011528	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+K+HCOOH"	84.968628
"1429209"	289.043038	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+H+CF3COOH"	115.000138
"1160589"	149.568551	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+3ACN+2H"	125.094202
"1711719"	306.069585	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+NH4+CF3COOH"	132.026685
"1639595"	311.02498	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+Na+CF3COOH"	136.98208
"1573058"	326.99892	"C18624"	"Quinoxaline-2-carboxylic acid"	"C9H6N2O2"	"174.0429"	"M+K+CF3COOH"	152.95602
"805614"	167.0219	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M"	0
"979147"	148.00351	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H2O-H"	-19.01839
"71765"	110.340657333333	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-3H"	-3.021828
"517977"	166.014624	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-3H"	-3.021828
"895333"	54.6666906666667	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-3H"	-3.021828
"11715"	166.014624	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H"	-2.014552
"453100"	249.525574	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H"	-2.014552
"831025"	82.503674	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H"	-2.014552
"91621"	333.036524	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-H"	-1.007276
"532523"	500.058424	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-H"	-1.007276
"905705"	166.014624	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H"	-1.007276
"53518"	350.063071	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H+NH4"	16.019271
"493079"	517.084971	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H+NH4"	16.019271
"873070"	183.041171	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H+NH4"	16.019271
"35505"	355.018466	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H+Na"	20.974666
"482719"	522.040366	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H+Na"	20.974666
"855053"	187.996566	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H+Na"	20.974666
"1628960"	187.996566	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na-2H"	20.974666
"109136"	184.002963	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-H+Cl"	33.962126
"549547"	267.513913	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-H+Cl"	33.962126
"942337"	100.492013	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+Cl"	33.962126
"281987"	369.013202	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Cl"	34.969402
"672827"	536.035102	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+Cl"	34.969402
"1283042"	201.991302	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl"	34.969402
"27785"	370.992406	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M-2H+K"	36.948606
"469171"	538.014306	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M-2H+K"	36.948606
"840780"	203.970506	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-2H+K"	36.948606
"1562081"	203.970506	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K-2H"	36.948606
"953244"	212.020094	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+HCOOH"	44.998194
"369274"	379.042001	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+HCOOH-H"	44.998201
"352062"	393.057651	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Hac-H"	59.013851
"1498710"	226.035751	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Hac-H"	59.013851
"964064"	234.002051	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+NaCOOH"	66.980151
"117345"	201.991302	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2Cl"	69.938804
"556905"	285.502252	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2Cl"	69.938804
"1023516"	118.480352	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2Cl"	69.938804
"1244188"	245.940785	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Br"	78.918885
"1306271"	247.996772	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl+HCOOH"	80.974872
"1321945"	269.978729	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl+NaCOOH"	102.956829
"913734"	280.007486	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M-H+CF3COOH"	112.985586
"1294088"	315.984164	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Cl+CF3COOH"	148.962264
"1373342"	132.009224	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H-2H2O"	-35.012676
"1386464"	150.0192	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H-H2O"	-17.0027
"285063"	335.051076	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H"	1.007276
"684045"	502.072976	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H"	1.007276
"1360394"	168.029176	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H"	1.007276
"136928"	168.029176	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2H"	2.014552
"579418"	251.540126	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2H"	2.014552
"1044936"	84.518226	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2H"	2.014552
"210651"	112.355209333333	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+3H"	3.021828
"651304"	168.029176	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+3H"	3.021828
"1168700"	56.6812426666667	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+3H"	3.021828
"429419"	352.077623	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+NH4"	18.033823
"790414"	519.099523	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+NH4"	18.033823
"1688933"	185.055723	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+NH4"	18.033823
"334660"	176.5424495	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H+NH4"	19.041099
"727450"	260.0533995	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H+NH4"	19.041099
"1481270"	93.0314995	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+NH4"	19.041099
"397765"	357.033018	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Na"	22.989218
"757667"	524.054918	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+Na"	22.989218
"1605765"	190.011118	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na"	22.989218
"323456"	179.020147	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H+Na"	23.996494
"712596"	262.531097	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H+Na"	23.996494
"1463137"	95.509197	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+Na"	23.996494
"1057478"	64.0085566666667	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2H+Na"	25.00377
"1263530"	200.055386	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+CH3OH+H"	33.033486
"378825"	373.006958	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+K"	38.963158
"743102"	540.028858	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+K"	38.963158
"1544062"	205.985058	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K"	38.963158
"309986"	187.007117	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+H+K"	39.970434
"706344"	270.518067	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+H+K"	39.970434
"1458414"	103.496167	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+K"	39.970434
"250422"	376.077626	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+ACN+H"	42.033826
"1224832"	209.055726	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+ACN+H"	42.033826
"1209533"	105.031501	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+ACN+2H"	43.041102
"203777"	379.01496	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2Na-H"	44.97116
"638229"	546.03686	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2Na-H"	44.97116
"1144652"	211.99306	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2Na-H"	44.97116
"187219"	190.011118	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2Na"	45.978436
"621306"	273.522068	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2Na"	45.978436
"1125904"	106.500168	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2Na"	45.978436
"1412344"	71.3358706666667	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+2Na"	46.985712
"1444707"	214.034646	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+HCOOH"	47.012746
"232334"	195.04414	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+3H2O+2H"	56.04448
"1523560"	228.08669	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+IsoProp+H"	61.06479
"422271"	197.998088	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+Na+K"	61.952376
"783998"	281.509038	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+Na+K"	61.952376
"1679595"	114.487138	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na+K"	61.952376
"262834"	398.059568	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+ACN+Na"	64.015768
"1238456"	231.037668	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+ACN+Na"	64.015768
"1723332"	231.061193	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+NH4+HCOOH"	64.039293
"1189780"	78.6631846666667	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+3Na"	68.967654
"1660765"	236.016588	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na+HCOOH"	68.994688
"169817"	410.96284	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2K-H"	76.91904
"608284"	577.98474	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2K-H"	76.91904
"1098275"	243.94094	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2K-H"	76.91904
"153638"	205.985058	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"2M+2K"	77.926316
"595384"	289.496008	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"3M+2K"	77.926316
"1082446"	122.474108	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2K"	77.926316
"1111649"	245.955492	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2K+H"	78.933592
"1348033"	246.043107	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+DMSO+H"	79.021207
"1018386"	250.082276	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2ACN+H"	83.060376
"1529948"	251.075908	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+IsoProp+Na+H"	84.054008
"1001866"	125.544776	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+2ACN+2H"	84.067652
"1595275"	251.990528	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K+HCOOH"	84.968628
"1426401"	282.022038	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+H+CF3COOH"	115.000138
"1159969"	146.058051	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+3ACN+2H"	125.094202
"1710612"	299.048585	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+NH4+CF3COOH"	132.026685
"1638612"	304.00398	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+Na+CF3COOH"	136.98208
"1573168"	319.97792	"C18625"	"4-Nitrobenzoic acid;p-Nitrobenzoic acid"	"C7H5NO4"	"167.0219"	"M+K+CF3COOH"	152.95602
"805724"	279.1471	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M"	0
"979257"	260.12871	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-H2O-H"	-19.01839
"65313"	185.090790666667	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M-3H"	-3.021828
"517636"	278.139824	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M-3H"	-3.021828
"889238"	92.0417573333333	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-3H"	-3.021828
"11825"	278.139824	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M-2H"	-2.014552
"453210"	417.713374	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M-2H"	-2.014552
"831377"	138.566274	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-2H"	-2.014552
"91367"	557.286924	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M-H"	-1.007276
"532388"	836.434024	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M-H"	-1.007276
"904722"	278.139824	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-H"	-1.007276
"52535"	574.313471	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M-2H+NH4"	16.019271
"493189"	853.460571	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M-2H+NH4"	16.019271
"873180"	295.166371	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-2H+NH4"	16.019271
"37801"	579.268866	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M-2H+Na"	20.974666
"479549"	858.415966	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M-2H+Na"	20.974666
"854070"	300.121766	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-2H+Na"	20.974666
"1630892"	300.121766	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Na-2H"	20.974666
"104507"	296.128163	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M-H+Cl"	33.962126
"544066"	435.701713	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M-H+Cl"	33.962126
"942406"	156.554613	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-H+Cl"	33.962126
"281367"	593.263602	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+Cl"	34.969402
"671843"	872.410702	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+Cl"	34.969402
"1283152"	314.116502	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Cl"	34.969402
"26802"	595.242806	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M-2H+K"	36.948606
"469644"	874.389906	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M-2H+K"	36.948606
"840890"	316.095706	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-2H+K"	36.948606
"1563285"	316.095706	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+K-2H"	36.948606
"953354"	324.145294	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-H+HCOOH"	44.998194
"369384"	603.292401	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+HCOOH-H"	44.998201
"348893"	617.308051	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+Hac-H"	59.013851
"1499914"	338.160951	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Hac-H"	59.013851
"966361"	346.127251	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-H+NaCOOH"	66.980151
"117455"	314.116502	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+2Cl"	69.938804
"557015"	453.690052	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+2Cl"	69.938804
"1023382"	174.542952	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2Cl"	69.938804
"1243206"	358.065985	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Br"	78.918885
"1305651"	360.121972	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Cl+HCOOH"	80.974872
"1321690"	382.103929	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Cl+NaCOOH"	102.956829
"913116"	392.132686	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M-H+CF3COOH"	112.985586
"1295291"	428.109364	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Cl+CF3COOH"	148.962264
"1372359"	244.134424	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H-2H2O"	-35.012676
"1386574"	262.1444	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H-H2O"	-17.0027
"285173"	559.301476	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+H"	1.007276
"677593"	838.448576	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+H"	1.007276
"1355034"	280.154376	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H"	1.007276
"132299"	280.154376	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+2H"	2.014552
"579162"	419.727926	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+2H"	2.014552
"1050511"	140.580826	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2H"	2.014552
"215135"	187.105342666667	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+3H"	3.021828
"650318"	280.154376	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+3H"	3.021828
"1166621"	94.0563093333333	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+3H"	3.021828
"428071"	576.328023	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+NH4"	18.033823
"789429"	855.475123	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+NH4"	18.033823
"1683940"	297.180923	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+NH4"	18.033823
"333312"	288.6676495	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+H+NH4"	19.041099
"724274"	428.2411995	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+H+NH4"	19.041099
"1481737"	149.0940995	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H+NH4"	19.041099
"396774"	581.283418	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+Na"	22.989218
"756676"	860.430518	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+Na"	22.989218
"1604406"	302.136318	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Na"	22.989218
"315907"	291.145347	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+H+Na"	23.996494
"708084"	430.718897	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+H+Na"	23.996494
"1462147"	151.571797	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H+Na"	23.996494
"1056492"	101.383623333333	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2H+Na"	25.00377
"1258897"	312.180586	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+CH3OH+H"	33.033486
"379294"	597.257358	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+K"	38.963158
"745394"	876.404458	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+K"	38.963158
"1546356"	318.110258	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+K"	38.963158
"307907"	299.132317	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+H+K"	39.970434
"701424"	438.705867	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+H+K"	39.970434
"1459981"	159.558767	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H+K"	39.970434
"248948"	600.328026	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+ACN+H"	42.033826
"1225061"	321.180926	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+ACN+H"	42.033826
"1209554"	161.094101	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+ACN+2H"	43.041102
"201693"	603.26536	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+2Na-H"	44.97116
"640890"	882.41246	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+2Na-H"	44.97116
"1144397"	324.11826	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2Na-H"	44.97116
"185865"	302.136318	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+2Na"	45.978436
"621416"	441.709868	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+2Na"	45.978436
"1128203"	162.562768	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2Na"	45.978436
"1413880"	108.710937333333	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H+2Na"	46.985712
"1445300"	326.159846	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H+HCOOH"	47.012746
"232809"	307.16934	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+3H2O+2H"	56.04448
"1523059"	340.21189	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+IsoProp+H"	61.06479
"421288"	310.123288	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+Na+K"	61.952376
"783376"	449.696838	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+Na+K"	61.952376
"1677519"	170.549738	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Na+K"	61.952376
"264766"	622.309968	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+ACN+Na"	64.015768
"1237836"	343.162868	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+ACN+Na"	64.015768
"1721254"	343.186393	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+NH4+HCOOH"	64.039293
"1187703"	116.038251333333	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+3Na"	68.967654
"1652127"	348.141788	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Na+HCOOH"	68.994688
"168833"	635.21324	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+2K-H"	76.91904
"609487"	914.36034	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+2K-H"	76.91904
"1098993"	356.06614	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2K-H"	76.91904
"154477"	318.110258	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"2M+2K"	77.926316
"595857"	457.683808	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"3M+2K"	77.926316
"1081462"	178.536708	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2K"	77.926316
"1112487"	358.080692	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2K+H"	78.933592
"1348507"	358.168307	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+DMSO+H"	79.021207
"1017403"	362.207476	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2ACN+H"	83.060376
"1527872"	363.201108	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+IsoProp+Na+H"	84.054008
"1003070"	181.607376	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+2ACN+2H"	84.067652
"1596479"	364.115728	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+K+HCOOH"	84.968628
"1427240"	394.147238	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+H+CF3COOH"	115.000138
"1160078"	202.120651	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+3ACN+2H"	125.094202
"1710722"	411.173785	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+NH4+CF3COOH"	132.026685
"1638722"	416.12918	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+Na+CF3COOH"	136.98208
"1573278"	432.10312	"C18626"	"Metalaxyl-M"	"C15H21NO4"	"279.1471"	"M+K+CF3COOH"	152.95602
"815675"	109.969	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M"	0
"984835"	90.95061	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-H2O-H"	-19.01839
"69796"	72.3053906666667	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M-3H"	-3.021828
"512638"	108.961724	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M-3H"	-3.021828
"893358"	35.6490573333333	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-3H"	-3.021828
"15589"	108.961724	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M-2H"	-2.014552
"453320"	163.946224	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M-2H"	-2.014552
"829299"	53.977224	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-2H"	-2.014552
"92570"	218.930724	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M-H"	-1.007276
"532134"	328.899724	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M-H"	-1.007276
"903738"	108.961724	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-H"	-1.007276
"52645"	235.957271	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M-2H+NH4"	16.019271
"496217"	345.926271	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M-2H+NH4"	16.019271
"878758"	125.988271	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-2H+NH4"	16.019271
"39006"	240.912666	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M-2H+Na"	20.974666
"479659"	350.881666	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M-2H+Na"	20.974666
"863577"	130.943666	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-2H+Na"	20.974666
"1631003"	130.943666	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Na-2H"	20.974666
"104617"	126.950063	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M-H+Cl"	33.962126
"544176"	181.934563	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M-H+Cl"	33.962126
"942667"	71.965563	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-H+Cl"	33.962126
"281599"	254.907402	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+Cl"	34.969402
"673048"	364.876402	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+Cl"	34.969402
"1284357"	144.938402	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Cl"	34.969402
"28005"	256.886606	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M-2H+K"	36.948606
"469754"	366.855606	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M-2H+K"	36.948606
"844280"	146.917606	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-2H+K"	36.948606
"1564488"	146.917606	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+K-2H"	36.948606
"953464"	154.967194	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-H+HCOOH"	44.998194
"369494"	264.936201	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+HCOOH-H"	44.998201
"352283"	278.951851	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+Hac-H"	59.013851
"1500024"	168.982851	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Hac-H"	59.013851
"966470"	176.949151	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-H+NaCOOH"	66.980151
"120845"	144.938402	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+2Cl"	69.938804
"554937"	199.922902	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+2Cl"	69.938804
"1028110"	89.953902	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2Cl"	69.938804
"1252063"	188.887885	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Br"	78.918885
"1307951"	190.943872	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Cl+HCOOH"	80.974872
"1324354"	212.925829	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Cl+NaCOOH"	102.956829
"915413"	222.954586	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M-H+CF3COOH"	112.985586
"1295401"	258.931264	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Cl+CF3COOH"	148.962264
"1372469"	74.956324	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H-2H2O"	-35.012676
"1386684"	92.9663	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H-H2O"	-17.0027
"284907"	220.945276	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+H"	1.007276
"678067"	330.914276	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+H"	1.007276
"1356237"	110.976276	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H"	1.007276
"132408"	110.976276	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+2H"	2.014552
"580732"	165.960776	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+2H"	2.014552
"1052729"	55.991776	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2H"	2.014552
"216339"	74.3199426666667	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+3H"	3.021828
"657722"	110.976276	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+3H"	3.021828
"1170742"	37.6636093333333	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+3H"	3.021828
"432924"	237.971823	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+NH4"	18.033823
"791731"	347.940823	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+NH4"	18.033823
"1686602"	128.002823	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+NH4"	18.033823
"336340"	119.4895495	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+H+NH4"	19.041099
"727301"	174.4740495	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+H+NH4"	19.041099
"1482576"	64.5050495	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H+NH4"	19.041099
"397978"	242.927218	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+Na"	22.989218
"758973"	352.896218	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+Na"	22.989218
"1605977"	132.958218	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Na"	22.989218
"319296"	121.967247	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+H+Na"	23.996494
"708439"	176.951747	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+H+Na"	23.996494
"1463718"	66.982747	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H+Na"	23.996494
"1059881"	44.9909233333333	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2H+Na"	25.00377
"1259736"	143.002486	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+CH3OH+H"	33.033486
"381227"	258.901158	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+K"	38.963158
"747691"	368.870158	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+K"	38.963158
"1549746"	148.932158	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+K"	38.963158
"310204"	129.954217	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+H+K"	39.970434
"702992"	184.938717	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+H+K"	39.970434
"1460456"	74.969717	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H+K"	39.970434
"249058"	261.971826	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+ACN+H"	42.033826
"1224809"	152.002826	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+ACN+H"	42.033826
"1209708"	76.505051	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+ACN+2H"	43.041102
"204034"	264.90916	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+2Na-H"	44.97116
"644140"	374.87816	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+2Na-H"	44.97116
"1140497"	154.94016	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2Na-H"	44.97116
"183787"	132.958218	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+2Na"	45.978436
"622619"	187.942718	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+2Na"	45.978436
"1128677"	77.973718	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2Na"	45.978436
"1414159"	52.3182373333333	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H+2Na"	46.985712
"1444964"	156.981746	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H+HCOOH"	47.012746
"234739"	137.99124	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+3H2O+2H"	56.04448
"1523168"	171.03379	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+IsoProp+H"	61.06479
"422855"	140.945188	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+Na+K"	61.952376
"784214"	195.929688	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+Na+K"	61.952376
"1678355"	85.960688	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Na+K"	61.952376
"265605"	283.953768	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+ACN+Na"	64.015768
"1237946"	173.984768	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+ACN+Na"	64.015768
"1722457"	174.008293	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+NH4+HCOOH"	64.039293
"1188907"	59.6455513333333	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+3Na"	68.967654
"1655517"	178.963688	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Na+HCOOH"	68.994688
"166754"	296.85704	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+2K-H"	76.91904
"607408"	406.82604	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+2K-H"	76.91904
"1097766"	186.88804	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2K-H"	76.91904
"155313"	148.932158	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"2M+2K"	77.926316
"592686"	203.916658	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"3M+2K"	77.926316
"1081572"	93.947658	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2K"	77.926316
"1106038"	188.902592	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2K+H"	78.933592
"1349226"	188.990207	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+DMSO+H"	79.021207
"1010949"	193.029376	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2ACN+H"	83.060376
"1527981"	194.023008	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+IsoProp+Na+H"	84.054008
"996619"	97.018326	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+2ACN+2H"	84.067652
"1599869"	194.937628	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+K+HCOOH"	84.968628
"1427716"	224.969138	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+H+CF3COOH"	115.000138
"1160188"	117.531601	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+3ACN+2H"	125.094202
"1710832"	241.995685	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+NH4+CF3COOH"	132.026685
"1638832"	246.95108	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+Na+CF3COOH"	136.98208
"1573388"	262.92502	"C18627"	"13-Dichloropropene;D-D 92"	"C3H4Cl2"	"109.969"	"M+K+CF3COOH"	152.95602
"812505"	350.0727	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M"	0
"987133"	331.05431	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-H2O-H"	-19.01839
"65533"	232.374524	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M-3H"	-3.021828
"506188"	349.065424	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M-3H"	-3.021828
"889458"	115.683624	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-3H"	-3.021828
"14963"	349.065424	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M-2H"	-2.014552
"450514"	524.101774	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M-2H"	-2.014552
"827952"	174.029074	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-2H"	-2.014552
"87577"	699.138124	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M-H"	-1.007276
"526048"	1049.210824	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M-H"	-1.007276
"896313"	349.065424	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-H"	-1.007276
"47402"	716.164671	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M-2H+NH4"	16.019271
"487942"	1066.237371	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M-2H+NH4"	16.019271
"870119"	366.091971	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-2H+NH4"	16.019271
"35834"	721.120066	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M-2H+Na"	20.974666
"473206"	1071.192766	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M-2H+Na"	20.974666
"857570"	371.047366	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-2H+Na"	20.974666
"1628197"	371.047366	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Na-2H"	20.974666
"103633"	367.053763	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M-H+Cl"	33.962126
"538819"	542.090113	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M-H+Cl"	33.962126
"938533"	192.017413	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-H+Cl"	33.962126
"275267"	735.114802	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+Cl"	34.969402
"672064"	1085.187502	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+Cl"	34.969402
"1283373"	385.042102	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Cl"	34.969402
"23742"	737.094006	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M-2H+K"	36.948606
"468771"	1087.166706	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M-2H+K"	36.948606
"844392"	387.021306	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-2H+K"	36.948606
"1563506"	387.021306	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+K-2H"	36.948606
"953574"	395.070894	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-H+HCOOH"	44.998194
"370697"	745.143601	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+HCOOH-H"	44.998201
"353487"	759.159251	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+Hac-H"	59.013851
"1496854"	409.086551	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Hac-H"	59.013851
"962207"	417.052851	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-H+NaCOOH"	66.980151
"120955"	385.042102	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+2Cl"	69.938804
"555047"	560.078452	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+2Cl"	69.938804
"1029314"	210.005752	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2Cl"	69.938804
"1249986"	428.991585	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Br"	78.918885
"1306968"	431.047572	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Cl+HCOOH"	80.974872
"1322278"	453.029529	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Cl+NaCOOH"	102.956829
"912364"	463.058286	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M-H+CF3COOH"	112.985586
"1295511"	499.034964	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Cl+CF3COOH"	148.962264
"1371485"	315.060024	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H-2H2O"	-35.012676
"1388981"	333.07	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H-H2O"	-17.0027
"286114"	701.152676	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+H"	1.007276
"677813"	1051.225376	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+H"	1.007276
"1355254"	351.079976	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H"	1.007276
"131424"	351.079976	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+2H"	2.014552
"581080"	526.116326	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+2H"	2.014552
"1048907"	176.043626	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2H"	2.014552
"218268"	234.389076	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+3H"	3.021828
"654913"	351.079976	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+3H"	3.021828
"1174863"	117.698176	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+3H"	3.021828
"430847"	718.179223	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+NH4"	18.033823
"790748"	1068.251923	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+NH4"	18.033823
"1685255"	368.106523	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+NH4"	18.033823
"336449"	359.5932495	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+H+NH4"	19.041099
"729963"	534.6295995	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+H+NH4"	19.041099
"1483781"	184.5568995	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H+NH4"	19.041099
"399180"	723.134618	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+Na"	22.989218
"759083"	1073.207318	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+Na"	22.989218
"1606086"	373.061918	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Na"	22.989218
"320499"	362.070947	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+H+Na"	23.996494
"709642"	537.107297	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+H+Na"	23.996494
"1463464"	187.034597	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H+Na"	23.996494
"1057806"	125.02549	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2H+Na"	25.00377
"1261669"	383.106186	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+CH3OH+H"	33.033486
"380242"	739.108558	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+K"	38.963158
"747801"	1089.181258	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+K"	38.963158
"1548763"	389.035858	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+K"	38.963158
"310678"	370.057917	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+H+K"	39.970434
"706669"	545.094267	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+H+K"	39.970434
"1460445"	195.021567	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H+K"	39.970434
"248804"	742.179226	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+ACN+H"	42.033826
"1223337"	392.106526	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+ACN+H"	42.033826
"1209845"	196.556901	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+ACN+2H"	43.041102
"202642"	745.11656	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+2Na-H"	44.97116
"642570"	1095.18926	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+2Na-H"	44.97116
"1144252"	395.04386	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2Na-H"	44.97116
"186813"	373.061918	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+2Na"	45.978436
"624552"	548.098268	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+2Na"	45.978436
"1130853"	198.025568	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2Na"	45.978436
"1411216"	132.352804	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H+2Na"	46.985712
"1444424"	397.085446	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H+HCOOH"	47.012746
"231567"	378.09494	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+3H2O+2H"	56.04448
"1521090"	411.13749	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+IsoProp+H"	61.06479
"421871"	381.048888	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+Na+K"	61.952376
"782866"	556.085238	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+Na+K"	61.952376
"1676642"	206.012538	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Na+K"	61.952376
"260976"	764.161168	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+ACN+Na"	64.015768
"1236963"	414.088468	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+ACN+Na"	64.015768
"1722567"	414.111993	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+NH4+HCOOH"	64.039293
"1189016"	139.680118	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+3Na"	68.967654
"1652347"	419.067388	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Na+HCOOH"	68.994688
"167957"	777.06444	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+2K-H"	76.91904
"606425"	1127.13714	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+2K-H"	76.91904
"1094960"	426.99174	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2K-H"	76.91904
"153603"	389.035858	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"2M+2K"	77.926316
"594984"	564.072208	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"3M+2K"	77.926316
"1080589"	213.999508	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2K"	77.926316
"1109424"	429.006292	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2K+H"	78.933592
"1347999"	429.093907	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+DMSO+H"	79.021207
"1011058"	433.133076	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2ACN+H"	83.060376
"1526999"	434.126708	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+IsoProp+Na+H"	84.054008
"995633"	217.070176	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+2ACN+2H"	84.067652
"1595604"	435.041328	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+K+HCOOH"	84.968628
"1427825"	465.072838	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+H+CF3COOH"	115.000138
"1162120"	237.583451	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+3ACN+2H"	125.094202
"1709849"	482.099385	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+NH4+CF3COOH"	132.026685
"1645503"	487.05478	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+Na+CF3COOH"	136.98208
"1582246"	503.02872	"C18628"	"Thiadiazin;Milneb"	"C12H22N4S4"	"350.0727"	"M+K+CF3COOH"	152.95602
"813710"	368.0896	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M"	0
"985056"	349.07121	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-H2O-H"	-19.01839
"72205"	244.385790666667	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M-3H"	-3.021828
"506662"	367.082324	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M-3H"	-3.021828
"889568"	121.689257333333	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-3H"	-3.021828
"14836"	367.082324	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M-2H"	-2.014552
"451353"	551.127124	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M-2H"	-2.014552
"829155"	183.037524	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-2H"	-2.014552
"85501"	735.171924	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M-H"	-1.007276
"533087"	1103.261524	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M-H"	-1.007276
"909796"	367.082324	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-H"	-1.007276
"61012"	752.198471	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M-2H+NH4"	16.019271
"496804"	1120.288071	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M-2H+NH4"	16.019271
"874604"	384.108871	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-2H+NH4"	16.019271
"42507"	757.153866	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M-2H+Na"	20.974666
"482066"	1125.243466	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M-2H+Na"	20.974666
"863150"	389.064266	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-2H+Na"	20.974666
"1628307"	389.064266	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Na-2H"	20.974666
"104836"	385.070663	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M-H+Cl"	33.962126
"548288"	569.115463	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M-H+Cl"	33.962126
"939007"	201.025863	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-H+Cl"	33.962126
"278662"	771.148602	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+Cl"	34.969402
"671082"	1139.238202	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+Cl"	34.969402
"1281297"	403.059002	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Cl"	34.969402
"28226"	773.127806	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M-2H+K"	36.948606
"467787"	1141.217406	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M-2H+K"	36.948606
"843400"	405.038206	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-2H+K"	36.948606
"1563607"	405.038206	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+K-2H"	36.948606
"947480"	413.087794	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-H+HCOOH"	44.998194
"373728"	781.177401	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+HCOOH-H"	44.998201
"351413"	795.193051	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+Hac-H"	59.013851
"1502432"	427.103451	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Hac-H"	59.013851
"971065"	435.069751	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-H+NaCOOH"	66.980151
"119973"	403.059002	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+2Cl"	69.938804
"552973"	587.103802	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+2Cl"	69.938804
"1032705"	219.014202	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2Cl"	69.938804
"1254106"	447.008485	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Br"	78.918885
"1311453"	449.064472	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Cl+HCOOH"	80.974872
"1327857"	471.046429	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Cl+NaCOOH"	102.956829
"915633"	481.075186	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M-H+CF3COOH"	112.985586
"1295621"	517.051864	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Cl+CF3COOH"	148.962264
"1371595"	333.076924	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H-2H2O"	-35.012676
"1389091"	351.0869	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H-H2O"	-17.0027
"287317"	737.186476	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+H"	1.007276
"680111"	1105.276076	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+H"	1.007276
"1361926"	369.096876	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H"	1.007276
"132632"	369.096876	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+2H"	2.014552
"580828"	553.141676	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+2H"	2.014552
"1051571"	185.052076	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2H"	2.014552
"215467"	246.400342666667	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+3H"	3.021828
"657213"	369.096876	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+3H"	3.021828
"1174246"	123.703809333333	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+3H"	3.021828
"429863"	754.213023	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+NH4"	18.033823
"790859"	1122.302623	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+NH4"	18.033823
"1683180"	386.123423	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+NH4"	18.033823
"335468"	377.6101495	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+H+NH4"	19.041099
"727886"	561.6549495	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+H+NH4"	19.041099
"1479521"	193.5653495	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H+NH4"	19.041099
"394070"	759.168418	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+Na"	22.989218
"755917"	1127.258018	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+Na"	22.989218
"1608391"	391.078818	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Na"	22.989218
"316603"	380.087847	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+H+Na"	23.996494
"711942"	564.132647	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+H+Na"	23.996494
"1465765"	196.043047	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H+Na"	23.996494
"1059011"	131.031123333333	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2H+Na"	25.00377
"1261782"	401.123086	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+CH3OH+H"	33.033486
"382544"	775.142358	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+K"	38.963158
"742445"	1143.231958	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+K"	38.963158
"1552154"	407.052758	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+K"	38.963158
"313831"	388.074817	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+H+K"	39.970434
"706739"	572.119617	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+H+K"	39.970434
"1460192"	204.030017	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H+K"	39.970434
"250131"	778.213026	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+ACN+H"	42.033826
"1224055"	410.123426	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+ACN+H"	42.033826
"1209279"	205.565351	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+ACN+2H"	43.041102
"203117"	781.15036	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+2Na-H"	44.97116
"642680"	1149.23996	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+2Na-H"	44.97116
"1146185"	413.06076	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2Na-H"	44.97116
"187287"	391.078818	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+2Na"	45.978436
"627824"	575.123618	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+2Na"	45.978436
"1130603"	207.034018	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2Na"	45.978436
"1412664"	138.358437333333	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H+2Na"	46.985712
"1443075"	415.102346	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H+HCOOH"	47.012746
"231677"	396.11184	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+3H2O+2H"	56.04448
"1521200"	429.15439	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+IsoProp+H"	61.06479
"423075"	399.065788	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+Na+K"	61.952376
"784434"	583.110588	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+Na+K"	61.952376
"1675659"	215.020988	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Na+K"	61.952376
"261086"	800.194968	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+ACN+Na"	64.015768
"1234885"	432.105368	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+ACN+Na"	64.015768
"1722677"	432.128893	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+NH4+HCOOH"	64.039293
"1190219"	145.685751333333	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+3Na"	68.967654
"1652457"	437.084288	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Na+HCOOH"	68.994688
"168067"	813.09824	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+2K-H"	76.91904
"608721"	1181.18784	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+2K-H"	76.91904
"1095071"	445.00864	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2K-H"	76.91904
"155899"	407.052758	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"2M+2K"	77.926316
"594729"	591.097558	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"3M+2K"	77.926316
"1075594"	223.007958	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2K"	77.926316
"1110267"	447.023192	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2K+H"	78.933592
"1348840"	447.110807	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+DMSO+H"	79.021207
"1014085"	451.149976	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2ACN+H"	83.060376
"1527109"	452.143608	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+IsoProp+Na+H"	84.054008
"997932"	226.078626	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+2ACN+2H"	84.067652
"1594622"	453.058228	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+K+HCOOH"	84.968628
"1426842"	483.089738	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+H+CF3COOH"	115.000138
"1159314"	246.591901	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+3ACN+2H"	125.094202
"1711053"	500.116285	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+NH4+CF3COOH"	132.026685
"1645613"	505.07168	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+Na+CF3COOH"	136.98208
"1582356"	521.04562	"C18629"	"Deoxynogalonate;12-Deoxynogalonic acid"	"C20H16O7"	"368.0896"	"M+K+CF3COOH"	152.95602
"814911"	396.0845	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M"	0
"978601"	377.06611	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-H2O-H"	-19.01839
"77781"	263.049057333333	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M-3H"	-3.021828
"509688"	395.077224	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M-3H"	-3.021828
"895066"	131.020890666667	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-3H"	-3.021828
"13356"	395.077224	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M-2H"	-2.014552
"454380"	593.119474	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M-2H"	-2.014552
"829993"	197.034974	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-2H"	-2.014552
"92172"	791.161724	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M-H"	-1.007276
"531736"	1187.246224	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M-H"	-1.007276
"897384"	395.077224	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-H"	-1.007276
"56261"	808.188271	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M-2H+NH4"	16.019271
"499100"	1204.272771	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M-2H+NH4"	16.019271
"874714"	412.103771	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-2H+NH4"	16.019271
"42617"	813.143666	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M-2H+Na"	20.974666
"483269"	1209.228166	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M-2H+Na"	20.974666
"862655"	417.059166	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-2H+Na"	20.974666
"1630604"	417.059166	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Na-2H"	20.974666
"103853"	413.065563	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M-H+Cl"	33.962126
"548157"	611.107813	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M-H+Cl"	33.962126
"939846"	215.023313	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-H+Cl"	33.962126
"275490"	827.138402	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+Cl"	34.969402
"670098"	1223.222902	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+Cl"	34.969402
"1282500"	431.053902	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Cl"	34.969402
"28336"	829.117606	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M-2H+K"	36.948606
"462429"	1225.202106	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M-2H+K"	36.948606
"842417"	433.033106	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-2H+K"	36.948606
"1564810"	433.033106	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+K-2H"	36.948606
"950506"	441.082694	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-H+HCOOH"	44.998194
"373474"	837.167201	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+HCOOH-H"	44.998201
"355897"	851.182851	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+Hac-H"	59.013851
"1504001"	455.098351	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Hac-H"	59.013851
"971906"	463.064651	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-H+NaCOOH"	66.980151
"123365"	431.053902	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+2Cl"	69.938804
"555270"	629.096152	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+2Cl"	69.938804
"1030628"	233.011652	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2Cl"	69.938804
"1254216"	475.003385	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Br"	78.918885
"1311563"	477.059372	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Cl+HCOOH"	80.974872
"1331247"	499.041329	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Cl+NaCOOH"	102.956829
"921212"	509.070086	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M-H+CF3COOH"	112.985586
"1300106"	545.046764	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Cl+CF3COOH"	148.962264
"1372071"	361.071824	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H-2H2O"	-35.012676
"1386285"	379.0818	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H-H2O"	-17.0027
"286700"	793.176276	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+H"	1.007276
"677303"	1189.260776	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+H"	1.007276
"1358755"	397.091776	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H"	1.007276
"132742"	397.091776	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+2H"	2.014552
"577775"	595.134026	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+2H"	2.014552
"1048402"	199.049526	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2H"	2.014552
"214477"	265.063609333333	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+3H"	3.021828
"655130"	397.091776	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+3H"	3.021828
"1171073"	133.035442666667	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+3H"	3.021828
"433252"	810.202823	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+NH4"	18.033823
"789873"	1206.287323	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+NH4"	18.033823
"1687296"	414.118323	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+NH4"	18.033823
"331200"	405.6050495	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+H+NH4"	19.041099
"724716"	603.6472995	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+H+NH4"	19.041099
"1478902"	207.5627995	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H+NH4"	19.041099
"394423"	815.158218	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+Na"	22.989218
"756512"	1211.242718	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+Na"	22.989218
"1607407"	419.073718	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Na"	22.989218
"318536"	408.082747	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+H+Na"	23.996494
"713145"	606.124997	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+H+Na"	23.996494
"1468061"	210.040497	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H+Na"	23.996494
"1062768"	140.362756666667	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2H+Na"	25.00377
"1264082"	429.117986	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+CH3OH+H"	33.033486
"385935"	831.132158	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+K"	38.963158
"743650"	1227.216658	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+K"	38.963158
"1551900"	435.047658	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+K"	38.963158
"313212"	416.069717	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+H+K"	39.970434
"705512"	614.111967	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+H+K"	39.970434
"1458602"	218.027467	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H+K"	39.970434
"250853"	834.202826	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+ACN+H"	42.033826
"1224165"	438.118326	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+ACN+H"	42.033826
"1207440"	219.562801	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+ACN+2H"	43.041102
"202254"	837.14016	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+2Na-H"	44.97116
"640967"	1233.22466	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+2Na-H"	44.97116
"1144110"	441.05566	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2Na-H"	44.97116
"184848"	419.073718	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+2Na"	45.978436
"625503"	617.115968	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+2Na"	45.978436
"1129013"	221.031468	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2Na"	45.978436
"1413876"	147.690070666667	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H+2Na"	46.985712
"1443186"	443.097246	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H+HCOOH"	47.012746
"233611"	424.10674	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+3H2O+2H"	56.04448
"1522407"	457.14929	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+IsoProp+H"	61.06479
"422457"	427.060688	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+Na+K"	61.952376
"783088"	625.102938	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+Na+K"	61.952376
"1678693"	229.018438	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Na+K"	61.952376
"264846"	856.184768	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+ACN+Na"	64.015768
"1237186"	460.100268	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+ACN+Na"	64.015768
"1723884"	460.123793	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+NH4+HCOOH"	64.039293
"1193247"	155.017384666667	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+3Na"	68.967654
"1662409"	465.079188	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Na+HCOOH"	68.994688
"165990"	869.08804	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+2K-H"	76.91904
"609564"	1265.17254	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+2K-H"	76.91904
"1096274"	473.00354	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2K-H"	76.91904
"154916"	435.047658	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"2M+2K"	77.926316
"595204"	633.089908	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"3M+2K"	77.926316
"1078984"	237.005408	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2K"	77.926316
"1112927"	475.018092	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2K+H"	78.933592
"1348222"	475.105707	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+DMSO+H"	79.021207
"1013468"	479.144876	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2ACN+H"	83.060376
"1526367"	480.138508	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+IsoProp+Na+H"	84.054008
"999137"	240.076076	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+2ACN+2H"	84.067652
"1596918"	481.053128	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+K+HCOOH"	84.968628
"1423673"	511.084638	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+H+CF3COOH"	115.000138
"1157241"	260.589351	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+3ACN+2H"	125.094202
"1708977"	528.111185	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+NH4+CF3COOH"	132.026685
"1639160"	533.06658	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+Na+CF3COOH"	136.98208
"1579186"	549.04052	"C18630"	"Nogalaviketone;Methyl 57-dihydroxy-2-methyl-4611-trioxo-34611-tetrahydrotetracene-1-carboxylate"	"C21H16O8"	"396.0845"	"M+K+CF3COOH"	152.95602
"815386"	398.1002	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M"	0
"979805"	379.08181	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-H2O-H"	-19.01839
"69144"	264.392857333333	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M-3H"	-3.021828
"509796"	397.092924	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M-3H"	-3.021828
"894162"	131.692790666667	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-3H"	-3.021828
"11643"	397.092924	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M-2H"	-2.014552
"454490"	596.143024	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M-2H"	-2.014552
"829375"	198.042824	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-2H"	-2.014552
"92282"	795.193124	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M-H"	-1.007276
"531845"	1193.293324	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M-H"	-1.007276
"897009"	397.092924	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-H"	-1.007276
"61596"	812.219671	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M-2H+NH4"	16.019271
"499210"	1210.319871	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M-2H+NH4"	16.019271
"874824"	414.119471	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-2H+NH4"	16.019271
"43823"	817.175066	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M-2H+Na"	20.974666
"483379"	1215.275266	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M-2H+Na"	20.974666
"863370"	419.074866	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-2H+Na"	20.974666
"1630714"	419.074866	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Na-2H"	20.974666
"105056"	415.081263	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M-H+Cl"	33.962126
"549118"	614.131363	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M-H+Cl"	33.962126
"942631"	216.031163	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-H+Cl"	33.962126
"279973"	831.169802	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+Cl"	34.969402
"672395"	1229.270002	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+Cl"	34.969402
"1285890"	433.069602	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Cl"	34.969402
"28446"	833.149006	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M-2H+K"	36.948606
"463632"	1231.249206	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M-2H+K"	36.948606
"847995"	435.048806	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-2H+K"	36.948606
"1564920"	435.048806	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+K-2H"	36.948606
"950616"	443.098394	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-H+HCOOH"	44.998194
"375770"	841.198601	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+HCOOH-H"	44.998201
"360383"	855.214251	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+Hac-H"	59.013851
"1506662"	457.114051	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Hac-H"	59.013851
"971650"	465.080351	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-H+NaCOOH"	66.980151
"124569"	433.069602	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+2Cl"	69.938804
"564617"	632.119702	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+2Cl"	69.938804
"1030738"	234.019502	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2Cl"	69.938804
"1253962"	477.019085	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Br"	78.918885
"1312766"	479.075072	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Cl+HCOOH"	80.974872
"1332451"	501.057029	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Cl+NaCOOH"	102.956829
"923510"	511.085786	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M-H+CF3COOH"	112.985586
"1300218"	547.062464	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Cl+CF3COOH"	148.962264
"1370724"	363.087524	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H-2H2O"	-35.012676
"1387124"	381.0975	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H-H2O"	-17.0027
"287904"	797.207676	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+H"	1.007276
"681422"	1195.307876	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+H"	1.007276
"1358865"	399.107476	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H"	1.007276
"131758"	399.107476	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+2H"	2.014552
"577883"	598.157576	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+2H"	2.014552
"1049236"	200.057376	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2H"	2.014552
"215317"	266.407409333333	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+3H"	3.021828
"653781"	399.107476	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+3H"	3.021828
"1175559"	133.707342666667	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+3H"	3.021828
"436641"	814.234223	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+NH4"	18.033823
"791075"	1212.334423	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+NH4"	18.033823
"1683761"	416.134023	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+NH4"	18.033823
"332039"	407.6207495	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+H+NH4"	19.041099
"725917"	606.6708495	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+H+NH4"	19.041099
"1483024"	208.5706495	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H+NH4"	19.041099
"401703"	819.189618	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+Na"	22.989218
"763793"	1217.289818	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+Na"	22.989218
"1612985"	421.089418	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Na"	22.989218
"321928"	410.098447	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+H+Na"	23.996494
"716537"	609.148547	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+H+Na"	23.996494
"1469264"	211.048347	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H+Na"	23.996494
"1061419"	141.034656666667	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2H+Na"	25.00377
"1264191"	431.133686	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+CH3OH+H"	33.033486
"386045"	835.163558	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+K"	38.963158
"748135"	1233.263758	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+K"	38.963158
"1549095"	437.063358	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+K"	38.963158
"313201"	418.085417	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+H+K"	39.970434
"704892"	617.135517	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+H+K"	39.970434
"1461275"	219.035317	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H+K"	39.970434
"251352"	838.234226	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+ACN+H"	42.033826
"1225128"	440.134026	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+ACN+H"	42.033826
"1208766"	220.570651	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+ACN+2H"	43.041102
"202971"	841.17156	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+2Na-H"	44.97116
"643265"	1239.27176	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+2Na-H"	44.97116
"1143490"	443.07136	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2Na-H"	44.97116
"185686"	421.089418	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+2Na"	45.978436
"627195"	620.139518	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+2Na"	45.978436
"1130704"	222.039318	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2Na"	45.978436
"1413909"	148.361970666667	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H+2Na"	46.985712
"1444757"	445.112946	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H+HCOOH"	47.012746
"235266"	426.12244	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+3H2O+2H"	56.04448
"1523774"	459.16499	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+IsoProp+H"	61.06479
"423299"	429.076388	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+Na+K"	61.952376
"785145"	628.126488	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+Na+K"	61.952376
"1679535"	230.026288	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Na+K"	61.952376
"266539"	860.216168	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+ACN+Na"	64.015768
"1239849"	462.115968	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+ACN+Na"	64.015768
"1726180"	462.139493	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+NH4+HCOOH"	64.039293
"1193722"	155.689284666667	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+3Na"	68.967654
"1662519"	467.094888	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Na+HCOOH"	68.994688
"166100"	873.11944	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+2K-H"	76.91904
"610769"	1271.21964	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+2K-H"	76.91904
"1096020"	475.01924	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2K-H"	76.91904
"154661"	437.063358	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"2M+2K"	77.926316
"593127"	636.113458	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"3M+2K"	77.926316
"1079458"	238.013258	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2K"	77.926316
"1114130"	477.033792	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2K+H"	78.933592
"1349668"	477.121407	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+DMSO+H"	79.021207
"1013579"	481.160576	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2ACN+H"	83.060376
"1529515"	482.154208	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+IsoProp+Na+H"	84.054008
"998154"	241.083926	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+2ACN+2H"	84.067652
"1594843"	483.068828	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+K+HCOOH"	84.968628
"1425969"	513.100338	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+H+CF3COOH"	115.000138
"1158445"	261.597201	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+3ACN+2H"	125.094202
"1710181"	530.126885	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+NH4+CF3COOH"	132.026685
"1640363"	535.08228	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+Na+CF3COOH"	136.98208
"1579296"	551.05622	"C18631"	"Nogalavinone;Nogalamycinone"	"C21H18O8"	"398.1002"	"M+K+CF3COOH"	152.95602
"814767"	414.0951	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M"	0
"979915"	395.07671	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-H2O-H"	-19.01839
"67063"	275.056124	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M-3H"	-3.021828
"508809"	413.087824	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M-3H"	-3.021828
"880142"	137.024424	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-3H"	-3.021828
"11753"	413.087824	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M-2H"	-2.014552
"449133"	620.135374	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M-2H"	-2.014552
"826933"	206.040274	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-2H"	-2.014552
"89112"	827.182924	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M-H"	-1.007276
"529767"	1241.278024	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M-H"	-1.007276
"897725"	413.087824	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-H"	-1.007276
"48823"	844.209471	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M-2H+NH4"	16.019271
"493851"	1258.304571	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M-2H+NH4"	16.019271
"867277"	430.114371	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-2H+NH4"	16.019271
"35543"	849.164866	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M-2H+Na"	20.974666
"476927"	1263.259966	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M-2H+Na"	20.974666
"854728"	435.069766	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-2H+Na"	20.974666
"1628635"	435.069766	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Na-2H"	20.974666
"105166"	431.076163	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M-H+Cl"	33.962126
"548863"	638.123713	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M-H+Cl"	33.962126
"942134"	224.028613	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-H+Cl"	33.962126
"280084"	863.159602	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+Cl"	34.969402
"673599"	1277.254702	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+Cl"	34.969402
"1286000"	449.064502	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Cl"	34.969402
"28556"	865.138806	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M-2H+K"	36.948606
"463743"	1279.233906	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M-2H+K"	36.948606
"848214"	451.043706	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-2H+K"	36.948606
"1569404"	451.043706	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+K-2H"	36.948606
"954006"	459.093294	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-H+HCOOH"	44.998194
"375879"	873.188401	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+HCOOH-H"	44.998201
"359398"	887.204051	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+Hac-H"	59.013851
"1506042"	473.108951	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Hac-H"	59.013851
"969208"	481.075251	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-H+NaCOOH"	66.980151
"125406"	449.064502	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+2Cl"	69.938804
"564483"	656.112052	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+2Cl"	69.938804
"1031941"	242.016952	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2Cl"	69.938804
"1251520"	493.013985	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Br"	78.918885
"1317249"	495.069972	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Cl+HCOOH"	80.974872
"1332561"	517.051929	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Cl+NaCOOH"	102.956829
"921430"	527.080686	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M-H+CF3COOH"	112.985586
"1302151"	563.057364	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Cl+CF3COOH"	148.962264
"1376301"	379.082424	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H-2H2O"	-35.012676
"1391608"	397.0924	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H-H2O"	-17.0027
"292388"	829.197476	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+H"	1.007276
"685908"	1243.292576	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+H"	1.007276
"1358975"	415.102376	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H"	1.007276
"131868"	415.102376	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+2H"	2.014552
"570699"	622.149926	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+2H"	2.014552
"1045698"	208.054826	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2H"	2.014552
"212507"	277.070676	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+3H"	3.021828
"653161"	415.102376	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+3H"	3.021828
"1171288"	139.038976	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+3H"	3.021828
"432373"	846.224023	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+NH4"	18.033823
"796286"	1260.319123	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+NH4"	18.033823
"1691891"	432.128923	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+NH4"	18.033823
"335795"	423.6156495	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+H+NH4"	19.041099
"727122"	630.6631995	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+H+NH4"	19.041099
"1483134"	216.5680995	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H+NH4"	19.041099
"398170"	851.179418	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+Na"	22.989218
"759531"	1265.274518	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+Na"	22.989218
"1609818"	437.084318	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Na"	22.989218
"319854"	426.093347	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+H+Na"	23.996494
"715553"	633.140897	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+H+Na"	23.996494
"1469374"	219.045797	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H+Na"	23.996494
"1058249"	146.36629	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2H+Na"	25.00377
"1263208"	447.128586	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+CH3OH+H"	33.033486
"385062"	867.153358	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+K"	38.963158
"750433"	1281.248458	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+K"	38.963158
"1549206"	453.058258	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+K"	38.963158
"313676"	434.080317	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+H+K"	39.970434
"704637"	641.127867	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+H+K"	39.970434
"1460648"	227.032767	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H+K"	39.970434
"251363"	870.224026	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+ACN+H"	42.033826
"1225237"	456.128926	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+ACN+H"	42.033826
"1207659"	228.568101	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+ACN+2H"	43.041102
"201622"	873.16136	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+2Na-H"	44.97116
"642525"	1287.25646	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+2Na-H"	44.97116
"1143600"	459.06626	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2Na-H"	44.97116
"187499"	437.084318	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+2Na"	45.978436
"628159"	644.131868	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+2Na"	45.978436
"1131166"	230.036768	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2Na"	45.978436
"1413937"	153.693604	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H+2Na"	46.985712
"1443406"	461.107846	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H+HCOOH"	47.012746
"235455"	442.11734	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+3H2O+2H"	56.04448
"1523972"	475.15989	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+IsoProp+H"	61.06479
"424018"	445.071288	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+Na+K"	61.952376
"785456"	652.118838	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+Na+K"	61.952376
"1680618"	238.023738	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Na+K"	61.952376
"266935"	892.205968	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+ACN+Na"	64.015768
"1239958"	478.110868	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+ACN+Na"	64.015768
"1726290"	478.134393	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+NH4+HCOOH"	64.039293
"1191644"	161.020918	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+3Na"	68.967654
"1661536"	483.089788	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Na+HCOOH"	68.994688
"165117"	905.10924	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+2K-H"	76.91904
"611244"	1319.20434	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+2K-H"	76.91904
"1096133"	491.01414	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2K-H"	76.91904
"153678"	453.058258	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"2M+2K"	77.926316
"594696"	660.105808	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"3M+2K"	77.926316
"1079934"	246.010708	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2K"	77.926316
"1112782"	493.028692	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2K+H"	78.933592
"1349172"	493.116307	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+DMSO+H"	79.021207
"1014784"	497.155476	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2ACN+H"	83.060376
"1528532"	498.149108	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+IsoProp+Na+H"	84.054008
"999357"	249.081376	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+2ACN+2H"	84.067652
"1590578"	499.063728	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+K+HCOOH"	84.968628
"1418424"	529.095238	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+H+CF3COOH"	115.000138
"1158554"	269.594651	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+3ACN+2H"	125.094202
"1705917"	546.121785	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+NH4+CF3COOH"	132.026685
"1639380"	551.07718	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+Na+CF3COOH"	136.98208
"1585966"	567.05112	"C18632"	"1-OH-Nogalamycinone"	"C21H18O9"	"414.0951"	"M+K+CF3COOH"	152.95602
"815242"	787.3051	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M"	0
"981118"	768.28671	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-H2O-H"	-19.01839
"67173"	523.862790666667	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M-3H"	-3.021828
"508919"	786.297824	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M-3H"	-3.021828
"881252"	261.427757333333	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-3H"	-3.021828
"11863"	786.297824	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M-2H"	-2.014552
"445963"	1179.950374	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M-2H"	-2.014552
"827043"	392.645274	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-2H"	-2.014552
"87035"	1573.602924	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M-H"	-1.007276
"524409"	2360.908024	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M-H"	-1.007276
"900025"	786.297824	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-H"	-1.007276
"52213"	1590.629471	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M-2H+NH4"	16.019271
"491773"	2377.934571	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M-2H+NH4"	16.019271
"866294"	803.324371	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-2H+NH4"	16.019271
"36017"	1595.584866	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M-2H+Na"	20.974666
"477037"	2382.889966	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M-2H+Na"	20.974666
"854838"	808.279766	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-2H+Na"	20.974666
"1628745"	808.279766	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Na-2H"	20.974666
"101994"	804.286163	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M-H+Cl"	33.962126
"546664"	1197.938713	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M-H+Cl"	33.962126
"941514"	410.633613	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-H+Cl"	33.962126
"282260"	1609.579602	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+Cl"	34.969402
"674682"	2396.884702	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+Cl"	34.969402
"1286110"	822.274502	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Cl"	34.969402
"27573"	1611.558806	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M-2H+K"	36.948606
"470293"	2398.863906	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M-2H+K"	36.948606
"845664"	824.253706	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-2H+K"	36.948606
"1568421"	824.253706	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+K-2H"	36.948606
"954116"	832.303294	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-H+HCOOH"	44.998194
"374896"	1619.608401	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+HCOOH-H"	44.998201
"359143"	1633.624051	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+Hac-H"	59.013851
"1505059"	846.318951	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Hac-H"	59.013851
"973208"	854.285251	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-H+NaCOOH"	66.980151
"125030"	822.274502	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+2Cl"	69.938804
"561065"	1215.927052	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+2Cl"	69.938804
"1034238"	428.621952	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2Cl"	69.938804
"1251630"	866.223985	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Br"	78.918885
"1316995"	868.279972	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Cl+HCOOH"	80.974872
"1331211"	890.261929	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Cl+NaCOOH"	102.956829
"921540"	900.290686	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M-H+CF3COOH"	112.985586
"1293874"	936.267364	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Cl+CF3COOH"	148.962264
"1376411"	752.292424	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H-2H2O"	-35.012676
"1388439"	770.3024	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H-H2O"	-17.0027
"289218"	1575.617476	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+H"	1.007276
"687111"	2362.922576	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+H"	1.007276
"1359085"	788.312376	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H"	1.007276
"133071"	788.312376	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+2H"	2.014552
"571538"	1181.964926	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+2H"	2.014552
"1042526"	394.659826	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2H"	2.014552
"212617"	525.877342666667	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+3H"	3.021828
"651083"	788.312376	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+3H"	3.021828
"1171398"	263.442309333333	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+3H"	3.021828
"432484"	1592.644023	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+NH4"	18.033823
"796396"	2379.949123	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+NH4"	18.033823
"1692001"	805.338923	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+NH4"	18.033823
"341373"	796.8256495	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+H+NH4"	19.041099
"725410"	1190.4781995	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+H+NH4"	19.041099
"1478870"	403.1730995	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H+NH4"	19.041099
"398647"	1597.599418	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+Na"	22.989218
"758549"	2384.904518	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+Na"	22.989218
"1611021"	810.294318	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Na"	22.989218
"318871"	799.303347	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+H+Na"	23.996494
"713477"	1192.955897	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+H+Na"	23.996494
"1468391"	405.650797	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H+Na"	23.996494
"1062368"	270.769623333333	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2H+Na"	25.00377
"1263318"	820.338586	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+CH3OH+H"	33.033486
"386267"	1613.573358	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+K"	38.963158
"750542"	2400.878458	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+K"	38.963158
"1548223"	826.268258	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+K"	38.963158
"313419"	807.290317	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+H+K"	39.970434
"705112"	1200.942867	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+H+K"	39.970434
"1460028"	413.637767	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H+K"	39.970434
"250695"	1616.644026	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+ACN+H"	42.033826
"1224982"	829.338926	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+ACN+H"	42.033826
"1208255"	415.173101	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+ACN+2H"	43.041102
"202340"	1619.58136	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+2Na-H"	44.97116
"643123"	2406.88646	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+2Na-H"	44.97116
"1143712"	832.27626	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2Na-H"	44.97116
"187123"	810.294318	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+2Na"	45.978436
"627420"	1203.946868	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+2Na"	45.978436
"1130683"	416.641768	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2Na"	45.978436
"1411658"	278.096937333333	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H+2Na"	46.985712
"1443152"	834.317846	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H+HCOOH"	47.012746
"235403"	815.32734	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+3H2O+2H"	56.04448
"1523219"	848.36989	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+IsoProp+H"	61.06479
"423644"	818.281288	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+Na+K"	61.952376
"785000"	1211.933838	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+Na+K"	61.952376
"1679758"	424.628738	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Na+K"	61.952376
"266516"	1638.625968	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+ACN+Na"	64.015768
"1238612"	851.320868	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+ACN+Na"	64.015768
"1725672"	851.344393	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+NH4+HCOOH"	64.039293
"1191390"	285.424251333333	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+3Na"	68.967654
"1662739"	856.299788	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Na+HCOOH"	68.994688
"165227"	1651.52924	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+2K-H"	76.91904
"608802"	2438.83434	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+2K-H"	76.91904
"1098065"	864.22414	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2K-H"	76.91904
"152327"	826.268258	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"2M+2K"	77.926316
"592982"	1219.920808	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"3M+2K"	77.926316
"1078951"	432.615708	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2K"	77.926316
"1108880"	866.238692	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2K+H"	78.933592
"1349523"	866.326307	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+DMSO+H"	79.021207
"1017083"	870.365476	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2ACN+H"	83.060376
"1529737"	871.359108	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+IsoProp+Na+H"	84.054008
"1001654"	435.686376	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+2ACN+2H"	84.067652
"1591781"	872.273728	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+K+HCOOH"	84.968628
"1419628"	902.305238	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+H+CF3COOH"	115.000138
"1158664"	456.199651	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+3ACN+2H"	125.094202
"1708214"	919.331785	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+NH4+CF3COOH"	132.026685
"1638397"	924.28718	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+Na+CF3COOH"	136.98208
"1586076"	940.26112	"C18633"	"Nogalamycin"	"C39H49NO16"	"787.3051"	"M+K+CF3COOH"	152.95602
"816444"	569.2261	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M"	0
"980135"	550.20771	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-H2O-H"	-19.01839
"67283"	378.476790666667	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M-3H"	-3.021828
"507936"	568.218824	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M-3H"	-3.021828
"879993"	188.734757333333	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-3H"	-3.021828
"11973"	568.218824	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M-2H"	-2.014552
"448260"	852.831874	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M-2H"	-2.014552
"827153"	283.605774	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-2H"	-2.014552
"87145"	1137.444924	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M-H"	-1.007276
"526706"	1706.671024	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M-H"	-1.007276
"905602"	568.218824	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-H"	-1.007276
"54510"	1154.471471	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M-2H+NH4"	16.019271
"491153"	1723.697571	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M-2H+NH4"	16.019271
"866403"	585.245371	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-2H+NH4"	16.019271
"36856"	1159.426866	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M-2H+Na"	20.974666
"478604"	1728.652966	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M-2H+Na"	20.974666
"854948"	590.200766	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-2H+Na"	20.974666
"1628855"	590.200766	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Na-2H"	20.974666
"102104"	586.207163	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M-H+Cl"	33.962126
"544952"	870.820213	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M-H+Cl"	33.962126
"939558"	301.594113	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-H+Cl"	33.962126
"279209"	1173.421602	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+Cl"	34.969402
"671630"	1742.647702	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+Cl"	34.969402
"1282940"	604.195502	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Cl"	34.969402
"23309"	1175.400806	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M-2H+K"	36.948606
"462868"	1744.626906	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M-2H+K"	36.948606
"843951"	606.174706	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-2H+K"	36.948606
"1568532"	606.174706	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+K-2H"	36.948606
"949851"	614.224294	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-H+HCOOH"	44.998194
"364785"	1183.450401	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+HCOOH-H"	44.998201
"360346"	1197.466051	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+Hac-H"	59.013851
"1506626"	628.239951	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Hac-H"	59.013851
"972708"	636.206251	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-H+NaCOOH"	66.980151
"123802"	604.195502	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+2Cl"	69.938804
"561175"	888.808552	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+2Cl"	69.938804
"1031068"	319.582452	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2Cl"	69.938804
"1251740"	648.144985	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Br"	78.918885
"1317469"	650.200972	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Cl+HCOOH"	80.974872
"1331685"	672.182929	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Cl+NaCOOH"	102.956829
"921650"	682.211686	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M-H+CF3COOH"	112.985586
"1293984"	718.188364	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Cl+CF3COOH"	148.962264
"1371052"	534.213424	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H-2H2O"	-35.012676
"1388549"	552.2234	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H-H2O"	-17.0027
"288235"	1139.459476	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+H"	1.007276
"686128"	1708.685576	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+H"	1.007276
"1359195"	570.233376	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H"	1.007276
"133181"	570.233376	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+2H"	2.014552
"573838"	854.846426	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+2H"	2.014552
"1048105"	285.620326	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2H"	2.014552
"212728"	380.491342666667	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+3H"	3.021828
"652288"	570.233376	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+3H"	3.021828
"1172600"	190.749309333333	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+3H"	3.021828
"434781"	1156.486023	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+NH4"	18.033823
"799057"	1725.712123	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+NH4"	18.033823
"1693204"	587.259923	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+NH4"	18.033823
"341849"	578.7466495	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+H+NH4"	19.041099
"727344"	863.3596995	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+H+NH4"	19.041099
"1478980"	294.1335995	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H+NH4"	19.041099
"398757"	1161.441418	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+Na"	22.989218
"757566"	1730.667518	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+Na"	22.989218
"1607852"	592.215318	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Na"	22.989218
"317889"	581.224347	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+H+Na"	23.996494
"709215"	865.837397	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+H+Na"	23.996494
"1466315"	296.611297	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H+Na"	23.996494
"1060656"	198.076623333333	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2H+Na"	25.00377
"1263429"	602.259586	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+CH3OH+H"	33.033486
"385283"	1177.415358	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+K"	38.963158
"747371"	1746.641458	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+K"	38.963158
"1546147"	608.189258	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+K"	38.963158
"310978"	589.211317	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+H+K"	39.970434
"703037"	873.824367	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+H+K"	39.970434
"1458678"	304.598267	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H+K"	39.970434
"247645"	1180.486026	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+ACN+H"	42.033826
"1223266"	611.259926	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+ACN+H"	42.033826
"1207514"	306.133601	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+ACN+2H"	43.041102
"201841"	1183.42336	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+2Na-H"	44.97116
"642868"	1752.64946	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+2Na-H"	44.97116
"1145160"	614.19726	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2Na-H"	44.97116
"187478"	592.215318	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+2Na"	45.978436
"627767"	876.828368	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+2Na"	45.978436
"1129447"	307.602268	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2Na"	45.978436
"1413101"	205.403937333333	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H+2Na"	46.985712
"1441439"	616.238846	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H+HCOOH"	47.012746
"235520"	597.24834	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+3H2O+2H"	56.04448
"1517008"	630.29089	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+IsoProp+H"	61.06479
"423871"	600.202288	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+Na+K"	61.952376
"785395"	884.815338	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+Na+K"	61.952376
"1680108"	315.589238	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Na+K"	61.952376
"266383"	1202.467968	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+ACN+Na"	64.015768
"1239814"	633.241868	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+ACN+Na"	64.015768
"1726146"	633.265393	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+NH4+HCOOH"	64.039293
"1192596"	212.731251333333	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+3Na"	68.967654
"1662850"	638.220788	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Na+HCOOH"	68.994688
"165337"	1215.37124	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+2K-H"	76.91904
"610005"	1784.59734	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+2K-H"	76.91904
"1098175"	646.14514	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2K-H"	76.91904
"153895"	608.189258	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"2M+2K"	77.926316
"594550"	892.802308	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"3M+2K"	77.926316
"1081248"	323.576208	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2K"	77.926316
"1111176"	648.159692	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2K+H"	78.933592
"1350979"	648.247307	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+DMSO+H"	79.021207
"1020472"	652.286476	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2ACN+H"	83.060376
"1529847"	653.280108	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+IsoProp+Na+H"	84.054008
"1002857"	326.646876	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+2ACN+2H"	84.067652
"1595171"	654.194728	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+K+HCOOH"	84.968628
"1421925"	684.226238	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+H+CF3COOH"	115.000138
"1155493"	347.160151	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+3ACN+2H"	125.094202
"1706137"	701.252785	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+NH4+CF3COOH"	132.026685
"1639600"	706.20818	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+Na+CF3COOH"	136.98208
"1586186"	722.18212	"C18634"	"Aclacinomycin T;Rhodosaminyl-aklavinone"	"C30H35NO10"	"569.2261"	"M+K+CF3COOH"	152.95602
"813274"	699.2891	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M"	0
"980245"	680.27071	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-H2O-H"	-19.01839
"67393"	465.185457333333	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M-3H"	-3.021828
"504765"	698.281824	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M-3H"	-3.021828
"880743"	232.089090666667	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-3H"	-3.021828
"12083"	698.281824	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M-2H"	-2.014552
"442903"	1047.926374	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M-2H"	-2.014552
"828357"	348.637274	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-2H"	-2.014552
"83246"	1397.570924	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M-H"	-1.007276
"523536"	2096.860024	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M-H"	-1.007276
"904619"	698.281824	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-H"	-1.007276
"56807"	1414.597471	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M-2H+NH4"	16.019271
"490169"	2113.886571	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M-2H+NH4"	16.019271
"865904"	715.308371	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-2H+NH4"	16.019271
"35144"	1419.552866	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M-2H+Na"	20.974666
"477621"	2118.841966	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M-2H+Na"	20.974666
"858338"	720.263766	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-2H+Na"	20.974666
"1628965"	720.263766	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Na-2H"	20.974666
"104401"	716.270163	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M-H+Cl"	33.962126
"547247"	1065.914713	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M-H+Cl"	33.962126
"941855"	366.625613	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-H+Cl"	33.962126
"279319"	1433.547602	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+Cl"	34.969402
"671740"	2132.836702	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+Cl"	34.969402
"1285236"	734.258502	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Cl"	34.969402
"25606"	1435.526806	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M-2H+K"	36.948606
"466257"	2134.815906	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M-2H+K"	36.948606
"845155"	736.237706	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-2H+K"	36.948606
"1567549"	736.237706	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+K-2H"	36.948606
"951054"	744.287294	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-H+HCOOH"	44.998194
"364895"	1443.576401	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+HCOOH-H"	44.998201
"359363"	1457.592051	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+Hac-H"	59.013851
"1503818"	758.302951	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Hac-H"	59.013851
"973426"	766.269251	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-H+NaCOOH"	66.980151
"120632"	734.258502	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+2Cl"	69.938804
"560191"	1083.903052	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+2Cl"	69.938804
"1033365"	384.613952	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2Cl"	69.938804
"1251850"	778.207985	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Br"	78.918885
"1313205"	780.263972	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Cl+HCOOH"	80.974872
"1333983"	802.245929	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Cl+NaCOOH"	102.956829
"921759"	812.274686	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M-H+CF3COOH"	112.985586
"1299561"	848.251364	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Cl+CF3COOH"	148.962264
"1375536"	664.276424	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H-2H2O"	-35.012676
"1390846"	682.2864	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H-H2O"	-17.0027
"290532"	1399.585476	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+H"	1.007276
"685145"	2098.874576	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+H"	1.007276
"1358212"	700.296376	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H"	1.007276
"131103"	700.296376	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+2H"	2.014552
"573949"	1049.940926	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+2H"	2.014552
"1046028"	350.651826	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2H"	2.014552
"210652"	467.200009333333	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+3H"	3.021828
"653493"	700.296376	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+3H"	3.021828
"1172710"	234.103642666667	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+3H"	3.021828
"434891"	1416.612023	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+NH4"	18.033823
"798803"	2115.901123	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+NH4"	18.033823
"1694407"	717.322923	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+NH4"	18.033823
"340502"	708.8096495	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+H+NH4"	19.041099
"729640"	1058.4541995	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+H+NH4"	19.041099
"1479454"	359.1650995	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H+NH4"	19.041099
"398867"	1421.567418	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+Na"	22.989218
"759863"	2120.856518	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+Na"	22.989218
"1607961"	722.278318	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Na"	22.989218
"319092"	711.287347	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+H+Na"	23.996494
"711511"	1060.931897	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+H+Na"	23.996494
"1462899"	361.642797	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H+Na"	23.996494
"1057119"	241.430956666667	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2H+Na"	25.00377
"1263539"	732.322586	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+CH3OH+H"	33.033486
"385393"	1437.541358	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+K"	38.963158
"747482"	2136.830458	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+K"	38.963158
"1551724"	738.252258	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+K"	38.963158
"310725"	719.274317	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+H+K"	39.970434
"702416"	1068.918867	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+H+K"	39.970434
"1457693"	369.629767	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H+K"	39.970434
"249576"	1440.612026	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+ACN+H"	42.033826
"1224716"	741.322926	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+ACN+H"	42.033826
"1208596"	371.165101	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+ACN+2H"	43.041102
"202924"	1443.54936	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+2Na-H"	44.97116
"642977"	2142.83846	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+2Na-H"	44.97116
"1144904"	744.26026	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2Na-H"	44.97116
"187471"	722.278318	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+2Na"	45.978436
"627519"	1071.922868	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+2Na"	45.978436
"1130537"	372.633768	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2Na"	45.978436
"1413494"	248.758270666667	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H+2Na"	46.985712
"1443251"	746.301846	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H+HCOOH"	47.012746
"235140"	727.31134	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+3H2O+2H"	56.04448
"1518211"	760.35389	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+IsoProp+H"	61.06479
"423621"	730.265288	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+Na+K"	61.952376
"784981"	1079.909838	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+Na+K"	61.952376
"1679732"	380.620738	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Na+K"	61.952376
"266371"	1462.593968	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+ACN+Na"	64.015768
"1239198"	763.304868	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+ACN+Na"	64.015768
"1726621"	763.328393	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+NH4+HCOOH"	64.039293
"1191980"	256.085584666667	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+3Na"	68.967654
"1662960"	768.283788	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Na+HCOOH"	68.994688
"165447"	1475.49724	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+2K-H"	76.91904
"610116"	2174.78634	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+2K-H"	76.91904
"1097556"	776.20814	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2K-H"	76.91904
"152911"	738.252258	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"2M+2K"	77.926316
"592474"	1087.896808	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"3M+2K"	77.926316
"1080264"	388.607708	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2K"	77.926316
"1112379"	778.222692	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2K+H"	78.933592
"1350721"	778.310307	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+DMSO+H"	79.021207
"1020910"	782.349476	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2ACN+H"	83.060376
"1527768"	783.343108	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+IsoProp+Na+H"	84.054008
"1002967"	391.678376	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+2ACN+2H"	84.067652
"1595281"	784.257728	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+K+HCOOH"	84.968628
"1422035"	814.289238	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+H+CF3COOH"	115.000138
"1160707"	412.191651	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+3ACN+2H"	125.094202
"1708434"	831.315785	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+NH4+CF3COOH"	132.026685
"1638616"	836.27118	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+Na+CF3COOH"	136.98208
"1586296"	852.24512	"C18635"	"Aclacinomycin S;L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone"	"C36H45NO13"	"699.2891"	"M+K+CF3COOH"	152.95602
"813384"	532.0859	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M"	0
"980355"	513.06751	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-H2O-H"	-19.01839
"67503"	353.716657333333	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M-3H"	-3.021828
"504875"	531.078624	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M-3H"	-3.021828
"880850"	176.354690666667	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-3H"	-3.021828
"5632"	531.078624	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M-2H"	-2.014552
"451760"	797.121574	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M-2H"	-2.014552
"830898"	265.035674	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-2H"	-2.014552
"87366"	1063.164524	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M-H"	-1.007276
"525835"	1595.250424	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M-H"	-1.007276
"901449"	531.078624	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-H"	-1.007276
"56917"	1080.191071	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+NH4"	16.019271
"490279"	1612.276971	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+NH4"	16.019271
"865893"	548.105171	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-2H+NH4"	16.019271
"43274"	1085.146466	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+Na"	20.974666
"477367"	1617.232366	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+Na"	20.974666
"856261"	553.060566	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-2H+Na"	20.974666
"1625795"	553.060566	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Na-2H"	20.974666
"102323"	549.066963	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M-H+Cl"	33.962126
"548450"	815.109913	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M-H+Cl"	33.962126
"942572"	283.024013	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-H+Cl"	33.962126
"281616"	1099.141202	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+Cl"	34.969402
"674767"	1631.227102	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+Cl"	34.969402
"1285346"	567.055302	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Cl"	34.969402
"23529"	1101.120406	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M-2H+K"	36.948606
"463089"	1633.206306	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M-2H+K"	36.948606
"845265"	569.034506	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-2H+K"	36.948606
"1565471"	569.034506	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+K-2H"	36.948606
"954444"	577.084094	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-H+HCOOH"	44.998194
"368285"	1109.170001	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+HCOOH-H"	44.998201
"358376"	1123.185651	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+Hac-H"	59.013851
"1507574"	591.099751	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Hac-H"	59.013851
"971469"	599.066051	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-H+NaCOOH"	66.980151
"124023"	567.055302	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+2Cl"	69.938804
"560301"	833.098252	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+2Cl"	69.938804
"1034933"	301.012352	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2Cl"	69.938804
"1251960"	611.004785	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Br"	78.918885
"1313315"	613.060772	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+HCOOH"	80.974872
"1334822"	635.042729	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+NaCOOH"	102.956829
"920776"	645.071486	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M-H+CF3COOH"	112.985586
"1297485"	681.048164	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Cl+CF3COOH"	148.962264
"1372364"	497.073224	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H-2H2O"	-35.012676
"1393143"	515.0832	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H-H2O"	-17.0027
"287361"	1065.179076	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+H"	1.007276
"684162"	1597.264976	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+H"	1.007276
"1361603"	533.093176	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H"	1.007276
"130120"	533.093176	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+2H"	2.014552
"569686"	799.136126	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+2H"	2.014552
"1043222"	267.050226	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2H"	2.014552
"211856"	355.731209333333	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+3H"	3.021828
"654697"	533.093176	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+3H"	3.021828
"1169541"	178.369242666667	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+3H"	3.021828
"435001"	1082.205623	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+NH4"	18.033823
"798184"	1614.291523	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+NH4"	18.033823
"1693426"	550.119723	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+NH4"	18.033823
"340610"	541.6064495	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+H+NH4"	19.041099
"729751"	807.6493995	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+H+NH4"	19.041099
"1478831"	275.5634995	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H+NH4"	19.041099
"397880"	1087.161018	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+Na"	22.989218
"761065"	1619.246918	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+Na"	22.989218
"1608071"	555.075118	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Na"	22.989218
"319201"	544.084147	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+H+Na"	23.996494
"710527"	810.127097	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+H+Na"	23.996494
"1461547"	278.041197	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H+Na"	23.996494
"1055770"	185.696556666667	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2H+Na"	25.00377
"1261461"	565.119386	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+CH3OH+H"	33.033486
"383315"	1103.134958	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+K"	38.963158
"744311"	1635.220858	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+K"	38.963158
"1545273"	571.049058	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+K"	38.963158
"306823"	552.071117	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+H+K"	39.970434
"700337"	818.114067	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+H+K"	39.970434
"1457436"	286.028167	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H+K"	39.970434
"248226"	1106.205626	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+H"	42.033826
"1223120"	574.119726	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+H"	42.033826
"1207005"	287.563501	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+2H"	43.041102
"203155"	1109.14296	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na-H"	44.97116
"643534"	1641.22886	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na-H"	44.97116
"1142947"	577.05706	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2Na-H"	44.97116
"187700"	555.075118	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+2Na"	45.978436
"627502"	821.118068	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+2Na"	45.978436
"1130644"	289.032168	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2Na"	45.978436
"1414088"	193.023870666667	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H+2Na"	46.985712
"1440564"	579.098646	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H+HCOOH"	47.012746
"231353"	560.10814	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+3H2O+2H"	56.04448
"1516135"	593.15069	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+H"	61.06479
"423487"	563.062088	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+Na+K"	61.952376
"785091"	829.105038	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+Na+K"	61.952376
"1679963"	297.019138	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Na+K"	61.952376
"266969"	1128.187568	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+ACN+Na"	64.015768
"1239671"	596.101668	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+ACN+Na"	64.015768
"1727095"	596.125193	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+HCOOH"	64.039293
"1192818"	200.351184666667	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+3Na"	68.967654
"1661979"	601.080588	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Na+HCOOH"	68.994688
"166651"	1141.09084	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+2K-H"	76.91904
"610226"	1673.17674	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+2K-H"	76.91904
"1098273"	609.00494	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2K-H"	76.91904
"153021"	571.049058	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"2M+2K"	77.926316
"593676"	837.092008	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"3M+2K"	77.926316
"1081467"	305.006108	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2K"	77.926316
"1111396"	611.019492	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2K+H"	78.933592
"1348755"	611.107107	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+DMSO+H"	79.021207
"1014120"	615.146276	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+H"	83.060376
"1528973"	616.139908	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+IsoProp+Na+H"	84.054008
"1004171"	308.076776	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+2ACN+2H"	84.067652
"1594299"	617.054528	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+K+HCOOH"	84.968628
"1422145"	647.086038	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+H+CF3COOH"	115.000138
"1161181"	328.590051	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+3ACN+2H"	125.094202
"1710731"	664.112585	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+NH4+CF3COOH"	132.026685
"1638726"	669.06798	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+Na+CF3COOH"	136.98208
"1586406"	685.04192	"C18636"	"dTDP-2-deoxy-beta-L-fucose;dTDP-L-2-deoxyfucose"	"C16H26N2O14P2"	"532.0859"	"M+K+CF3COOH"	152.95602
"813494"	813.3572	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M"	0
"982652"	794.33881	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-H2O-H"	-19.01839
"68706"	541.230857333333	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M-3H"	-3.021828
"508265"	812.349924	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M-3H"	-3.021828
"882786"	270.111790666667	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-3H"	-3.021828
"9022"	812.349924	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M-2H"	-2.014552
"450777"	1219.028524	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M-2H"	-2.014552
"831735"	405.671324	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-2H"	-2.014552
"87476"	1625.707124	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M-H"	-1.007276
"520476"	2439.064324	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M-H"	-1.007276
"900464"	812.349924	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-H"	-1.007276
"54840"	1642.733671	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M-2H+NH4"	16.019271
"491117"	2456.090871	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M-2H+NH4"	16.019271
"865757"	829.376471	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-2H+NH4"	16.019271
"40104"	1647.689066	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M-2H+Na"	20.974666
"477841"	2461.046266	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M-2H+Na"	20.974666
"855278"	834.331866	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-2H+Na"	20.974666
"1626269"	834.331866	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Na-2H"	20.974666
"97694"	830.338263	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M-H+Cl"	33.962126
"549290"	1237.016863	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M-H+Cl"	33.962126
"942650"	423.659663	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-H+Cl"	33.962126
"282661"	1661.683802	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+Cl"	34.969402
"675283"	2475.041002	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+Cl"	34.969402
"1285456"	848.326602	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Cl"	34.969402
"26919"	1663.663006	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M-2H+K"	36.948606
"466479"	2477.020206	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M-2H+K"	36.948606
"844281"	850.305806	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-2H+K"	36.948606
"1568861"	850.305806	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+K-2H"	36.948606
"954554"	858.355394	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-H+HCOOH"	44.998194
"368395"	1671.712601	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+HCOOH-H"	44.998201
"357754"	1685.728251	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+Hac-H"	59.013851
"1507443"	872.371051	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Hac-H"	59.013851
"970850"	880.337351	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-H+NaCOOH"	66.980151
"125147"	848.326602	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+2Cl"	69.938804
"561506"	1255.005202	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+2Cl"	69.938804
"1033585"	441.648002	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2Cl"	69.938804
"1256079"	892.276085	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Br"	78.918885
"1319502"	894.332072	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Cl+HCOOH"	80.974872
"1335584"	916.314029	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Cl+NaCOOH"	102.956829
"921979"	926.342786	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M-H+CF3COOH"	112.985586
"1297594"	962.319464	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Cl+CF3COOH"	148.962264
"1375755"	778.344524	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H-2H2O"	-35.012676
"1396532"	796.3545	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H-H2O"	-17.0027
"286377"	1627.721676	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+H"	1.007276
"688645"	2441.078876	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+H"	1.007276
"1362806"	814.364476	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H"	1.007276
"138974"	814.364476	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+2H"	2.014552
"570889"	1221.043076	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+2H"	2.014552
"1047344"	407.685876	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2H"	2.014552
"213060"	543.245409333333	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+3H"	3.021828
"653714"	814.364476	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+3H"	3.021828
"1170743"	272.126342666667	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+3H"	3.021828
"436935"	1644.748223	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+NH4"	18.033823
"798293"	2458.105423	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+NH4"	18.033823
"1692438"	831.391023	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+NH4"	18.033823
"344000"	822.8777495	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+H+NH4"	19.041099
"736420"	1229.5563495	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+H+NH4"	19.041099
"1481494"	416.1991495	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H+NH4"	19.041099
"401271"	1649.703618	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+Na"	22.989218
"763361"	2463.060818	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+Na"	22.989218
"1611460"	836.346418	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Na"	22.989218
"319309"	825.355447	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+H+Na"	23.996494
"711730"	1232.034047	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+H+Na"	23.996494
"1464822"	418.676847	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H+Na"	23.996494
"1057338"	279.453656666667	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2H+Na"	25.00377
"1259384"	846.390686	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+CH3OH+H"	33.033486
"378687"	1665.677558	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+K"	38.963158
"747702"	2479.034758	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+K"	38.963158
"1547568"	852.320358	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+K"	38.963158
"310212"	833.342417	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+H+K"	39.970434
"701542"	1240.021017	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+H+K"	39.970434
"1460098"	426.663817	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H+K"	39.970434
"251132"	1668.748226	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+ACN+H"	42.033826
"1222866"	855.391026	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+ACN+H"	42.033826
"1207115"	428.199151	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+ACN+2H"	43.041102
"203265"	1671.68556	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+2Na-H"	44.97116
"644135"	2485.04276	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+2Na-H"	44.97116
"1145245"	858.32836	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2Na-H"	44.97116
"187439"	836.346418	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+2Na"	45.978436
"628224"	1243.025018	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+2Na"	45.978436
"1131202"	429.667818	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2Na"	45.978436
"1414079"	286.780970666667	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H+2Na"	46.985712
"1445172"	860.369946	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H+HCOOH"	47.012746
"231463"	841.37944	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+3H2O+2H"	56.04448
"1521713"	874.42199	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+IsoProp+H"	61.06479
"424010"	844.333388	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+Na+K"	61.952376
"785518"	1251.011988	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+Na+K"	61.952376
"1679820"	437.654788	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Na+K"	61.952376
"265245"	1690.730168	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+ACN+Na"	64.015768
"1239046"	877.372968	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+ACN+Na"	64.015768
"1727573"	877.396493	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+NH4+HCOOH"	64.039293
"1193660"	294.108284666667	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+3Na"	68.967654
"1663913"	882.351888	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Na+HCOOH"	68.994688
"167854"	1703.63344	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+2K-H"	76.91904
"609968"	2516.99064	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+2K-H"	76.91904
"1099396"	890.27624	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2K-H"	76.91904
"153131"	852.320358	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"2M+2K"	77.926316
"595366"	1258.998958	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"3M+2K"	77.926316
"1081577"	445.641758	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2K"	77.926316
"1112599"	892.290792	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2K+H"	78.933592
"1349351"	892.378407	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+DMSO+H"	79.021207
"1013137"	896.417576	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2ACN+H"	83.060376
"1535639"	897.411208	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+IsoProp+Na+H"	84.054008
"1004160"	448.712426	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+2ACN+2H"	84.067652
"1595502"	898.325828	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+K+HCOOH"	84.968628
"1426630"	928.357338	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+H+CF3COOH"	115.000138
"1162141"	469.225701	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+3ACN+2H"	125.094202
"1709746"	945.383885	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+NH4+CF3COOH"	132.026685
"1637743"	950.33928	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+Na+CF3COOH"	136.98208
"1586516"	966.31322	"C18637"	"Aclacinomycin N"	"C42H55NO15"	"813.3572"	"M+K+CF3COOH"	152.95602
"813604"	811.3415	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M"	0
"977295"	792.32311	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-H2O-H"	-19.01839
"66630"	539.887057333333	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M-3H"	-3.021828
"507282"	810.334224	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M-3H"	-3.021828
"880030"	269.439890666667	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-3H"	-3.021828
"9131"	810.334224	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M-2H"	-2.014552
"453074"	1216.004974	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M-2H"	-2.014552
"830874"	404.663474	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-2H"	-2.014552
"90866"	1621.675724	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M-H"	-1.007276
"522045"	2433.017224	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M-H"	-1.007276
"900210"	810.334224	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-H"	-1.007276
"54950"	1638.702271	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M-2H+NH4"	16.019271
"490135"	2450.043771	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M-2H+NH4"	16.019271
"866841"	827.360771	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-2H+NH4"	16.019271
"34746"	1643.657666	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M-2H+Na"	20.974666
"477587"	2454.999166	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M-2H+Na"	20.974666
"850285"	832.316166	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-2H+Na"	20.974666
"1623099"	832.316166	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Na-2H"	20.974666
"96347"	828.322563	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M-H+Cl"	33.962126
"549400"	1233.993313	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M-H+Cl"	33.962126
"942683"	422.651813	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-H+Cl"	33.962126
"280742"	1657.652402	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+Cl"	34.969402
"675516"	2468.993902	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+Cl"	34.969402
"1282286"	846.310902	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Cl"	34.969402
"27029"	1659.631606	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M-2H+K"	36.948606
"467317"	2470.973106	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M-2H+K"	36.948606
"841110"	848.290106	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-2H+K"	36.948606
"1565691"	848.290106	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+K-2H"	36.948606
"953571"	856.339694	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-H+HCOOH"	44.998194
"368505"	1667.681201	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+HCOOH-H"	44.998201
"352397"	1681.696851	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+Hac-H"	59.013851
"1505244"	870.355351	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Hac-H"	59.013851
"972054"	878.321651	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-H+NaCOOH"	66.980151
"122059"	846.310902	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+2Cl"	69.938804
"563439"	1251.981652	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+2Cl"	69.938804
"1030415"	440.640152	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2Cl"	69.938804
"1251086"	890.260385	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Br"	78.918885
"1314627"	892.316372	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Cl+HCOOH"	80.974872
"1325564"	914.298329	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Cl+NaCOOH"	102.956829
"913705"	924.327086	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M-H+CF3COOH"	112.985586
"1291144"	960.303764	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Cl+CF3COOH"	148.962264
"1369304"	776.328824	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H-2H2O"	-35.012676
"1384615"	794.3388	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H-H2O"	-17.0027
"284299"	1623.690276	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+H"	1.007276
"687662"	2435.031776	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+H"	1.007276
"1362916"	812.348776	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H"	1.007276
"134711"	812.348776	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+2H"	2.014552
"568806"	1218.019526	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+2H"	2.014552
"1045269"	406.678026	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2H"	2.014552
"212076"	541.901609333333	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+3H"	3.021828
"654917"	812.348776	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+3H"	3.021828
"1174136"	271.454442666667	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+3H"	3.021828
"437046"	1640.716823	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+NH4"	18.033823
"796217"	2452.058323	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+NH4"	18.033823
"1694010"	829.375323	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+NH4"	18.033823
"341922"	820.8620495	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+H+NH4"	19.041099
"733249"	1226.5327995	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+H+NH4"	19.041099
"1482698"	415.1912995	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H+NH4"	19.041099
"395908"	1645.672218	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+Na"	22.989218
"755565"	2457.013718	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+Na"	22.989218
"1606097"	834.330718	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Na"	22.989218
"315406"	823.339747	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+H+Na"	23.996494
"712932"	1229.010497	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+H+Na"	23.996494
"1462255"	417.668997	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H+Na"	23.996494
"1055989"	278.781756666667	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2H+Na"	25.00377
"1260586"	844.374986	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+CH3OH+H"	33.033486
"379161"	1661.646158	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+K"	38.963158
"739060"	2472.987658	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+K"	38.963158
"1541843"	850.304658	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+K"	38.963158
"304853"	831.326717	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+H+K"	39.970434
"702742"	1236.997467	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+H+K"	39.970434
"1459479"	425.655967	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H+K"	39.970434
"249175"	1664.716826	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+ACN+H"	42.033826
"1222976"	853.375326	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+ACN+H"	42.033826
"1207224"	427.191301	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+ACN+2H"	43.041102
"203375"	1667.65416	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+2Na-H"	44.97116
"642696"	2478.99566	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+2Na-H"	44.97116
"1144262"	856.31266	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2Na-H"	44.97116
"188038"	834.330718	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+2Na"	45.978436
"628514"	1240.001468	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+2Na"	45.978436
"1131144"	428.659968	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2Na"	45.978436
"1414170"	286.109070666667	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H+2Na"	46.985712
"1440785"	858.354246	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H+HCOOH"	47.012746
"231573"	839.36374	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+3H2O+2H"	56.04448
"1523772"	872.40629	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+IsoProp+H"	61.06479
"423624"	842.317688	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+Na+K"	61.952376
"785622"	1247.988438	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+Na+K"	61.952376
"1680295"	436.646938	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Na+K"	61.952376
"264261"	1686.698768	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+ACN+Na"	64.015768
"1239156"	875.357268	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+ACN+Na"	64.015768
"1724766"	875.380793	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+NH4+HCOOH"	64.039293
"1192675"	293.436384666667	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+3Na"	68.967654
"1662563"	880.336188	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Na+HCOOH"	68.994688
"169057"	1699.60204	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+2K-H"	76.91904
"609712"	2510.94354	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+2K-H"	76.91904
"1098614"	888.26054	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2K-H"	76.91904
"153241"	850.304658	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"2M+2K"	77.926316
"595597"	1255.975408	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"3M+2K"	77.926316
"1081687"	444.633908	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2K"	77.926316
"1110523"	890.275092	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2K+H"	78.933592
"1348002"	890.362707	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+DMSO+H"	79.021207
"1015069"	894.401876	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2ACN+H"	83.060376
"1535749"	895.395508	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+IsoProp+Na+H"	84.054008
"1005119"	447.704576	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+2ACN+2H"	84.067652
"1596705"	896.310128	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+K+HCOOH"	84.968628
"1427833"	926.341638	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+H+CF3COOH"	115.000138
"1162616"	468.217851	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+3ACN+2H"	125.094202
"1709857"	943.368185	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+NH4+CF3COOH"	132.026685
"1637853"	948.32358	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+Na+CF3COOH"	136.98208
"1586626"	964.29752	"C18638"	"Aclacinomycin A"	"C42H53NO15"	"811.3415"	"M+K+CF3COOH"	152.95602
"813714"	809.3259	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M"	0
"977405"	790.30751	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-H2O-H"	-19.01839
"67104"	538.543324	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M-3H"	-3.021828
"507392"	808.318624	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M-3H"	-3.021828
"880452"	268.768024	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-3H"	-3.021828
"9241"	808.318624	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M-2H"	-2.014552
"453178"	1212.981574	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M-2H"	-2.014552
"831594"	403.655674	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-2H"	-2.014552
"90855"	1617.644524	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M-H"	-1.007276
"521791"	2426.970424	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M-H"	-1.007276
"898497"	808.318624	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-H"	-1.007276
"52144"	1634.671071	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M-2H+NH4"	16.019271
"490243"	2443.996971	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M-2H+NH4"	16.019271
"866221"	825.345171	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-2H+NH4"	16.019271
"35220"	1639.626466	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M-2H+Na"	20.974666
"477697"	2448.952366	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M-2H+Na"	20.974666
"850759"	830.300566	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-2H+Na"	20.974666
"1622845"	830.300566	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Na-2H"	20.974666
"96821"	826.306963	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M-H+Cl"	33.962126
"548416"	1230.969913	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M-H+Cl"	33.962126
"941445"	421.644013	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-H+Cl"	33.962126
"280488"	1653.621202	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+Cl"	34.969402
"668898"	2462.947102	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+Cl"	34.969402
"1280207"	844.295302	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Cl"	34.969402
"26045"	1655.600406	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M-2H+K"	36.948606
"462323"	2464.926306	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M-2H+K"	36.948606
"840127"	846.274506	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-2H+K"	36.948606
"1559241"	846.274506	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+K-2H"	36.948606
"946029"	854.324094	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-H+HCOOH"	44.998194
"367521"	1663.650001	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+HCOOH-H"	44.998201
"352507"	1677.665651	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+Hac-H"	59.013851
"1504626"	868.339751	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Hac-H"	59.013851
"972892"	876.306051	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-H+NaCOOH"	66.980151
"123262"	844.295302	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+2Cl"	69.938804
"562820"	1248.958252	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+2Cl"	69.938804
"1030525"	439.632352	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2Cl"	69.938804
"1251196"	888.244785	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Br"	78.918885
"1314737"	890.300772	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Cl+HCOOH"	80.974872
"1325673"	912.282729	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Cl+NaCOOH"	102.956829
"914908"	922.311486	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M-H+CF3COOH"	112.985586
"1291254"	958.288164	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Cl+CF3COOH"	148.962264
"1370505"	774.313224	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H-2H2O"	-35.012676
"1383631"	792.3232	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H-H2O"	-17.0027
"283800"	1619.659076	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+H"	1.007276
"685585"	2428.984976	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+H"	1.007276
"1360840"	810.333176	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H"	1.007276
"133728"	810.333176	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+2H"	2.014552
"570009"	1214.996126	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+2H"	2.014552
"1038077"	405.670226	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2H"	2.014552
"205979"	540.557876	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+3H"	3.021828
"651747"	810.333176	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+3H"	3.021828
"1173152"	270.782576	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+3H"	3.021828
"436425"	1636.685623	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+NH4"	18.033823
"796327"	2446.011523	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+NH4"	18.033823
"1695579"	827.359723	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+NH4"	18.033823
"338751"	818.8464495	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+H+NH4"	19.041099
"727892"	1223.5093995	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+H+NH4"	19.041099
"1487911"	414.1834995	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H+NH4"	19.041099
"394926"	1641.641018	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+Na"	22.989218
"757014"	2450.966918	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+Na"	22.989218
"1606208"	832.315118	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Na"	22.989218
"315152"	821.324147	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+H+Na"	23.996494
"713042"	1225.987097	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+H+Na"	23.996494
"1463583"	416.661197	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H+Na"	23.996494
"1056099"	278.10989	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2H+Na"	25.00377
"1260697"	842.359386	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+CH3OH+H"	33.033486
"379999"	1657.614958	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+K"	38.963158
"739900"	2466.940858	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+K"	38.963158
"1543412"	848.289058	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+K"	38.963158
"307150"	829.311117	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+H+K"	39.970434
"704675"	1233.974067	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+H+K"	39.970434
"1459954"	424.648167	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H+K"	39.970434
"249650"	1660.685626	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+ACN+H"	42.033826
"1224180"	851.359726	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+ACN+H"	42.033826
"1206241"	426.183501	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+ACN+2H"	43.041102
"202757"	1663.62296	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+2Na-H"	44.97116
"640861"	2472.94886	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+2Na-H"	44.97116
"1143279"	854.29706	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2Na-H"	44.97116
"186932"	832.315118	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+2Na"	45.978436
"626128"	1236.978068	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+2Na"	45.978436
"1129269"	427.652168	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2Na"	45.978436
"1412428"	285.437204	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H+2Na"	46.985712
"1441625"	856.338646	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H+HCOOH"	47.012746
"231683"	837.34814	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+3H2O+2H"	56.04448
"1522302"	870.39069	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+IsoProp+H"	61.06479
"422720"	840.302088	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+Na+K"	61.952376
"784809"	1244.965038	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+Na+K"	61.952376
"1679677"	435.639138	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Na+K"	61.952376
"262550"	1682.667568	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+ACN+Na"	64.015768
"1236352"	873.341668	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+ACN+Na"	64.015768
"1723418"	873.365193	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+NH4+HCOOH"	64.039293
"1194083"	292.764518	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+3Na"	68.967654
"1660852"	878.320588	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Na+HCOOH"	68.994688
"167711"	1695.57084	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+2K-H"	76.91904
"606180"	2504.89674	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+2K-H"	76.91904
"1099535"	886.24494	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2K-H"	76.91904
"153351"	848.289058	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"2M+2K"	77.926316
"594857"	1252.952008	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"3M+2K"	77.926316
"1078517"	443.626108	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2K"	77.926316
"1111726"	888.259492	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2K+H"	78.933592
"1347748"	888.347107	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+DMSO+H"	79.021207
"1017001"	892.386276	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2ACN+H"	83.060376
"1533672"	893.379908	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+IsoProp+Na+H"	84.054008
"1005598"	446.696776	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+2ACN+2H"	84.067652
"1596815"	894.294528	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+K+HCOOH"	84.968628
"1429036"	924.326038	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+H+CF3COOH"	115.000138
"1162118"	467.210051	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+3ACN+2H"	125.094202
"1711059"	941.352585	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+NH4+CF3COOH"	132.026685
"1637963"	946.30798	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+Na+CF3COOH"	136.98208
"1586736"	962.28192	"C18639"	"Aclacinomycin Y"	"C42H51NO15"	"809.3259"	"M+K+CF3COOH"	152.95602
"813824"	585.221	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M"	0
"977515"	566.20261	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-H2O-H"	-19.01839
"66850"	389.140057333333	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M-3H"	-3.021828
"507502"	584.213724	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M-3H"	-3.021828
"881534"	194.066390666667	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-3H"	-3.021828
"4977"	584.213724	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M-2H"	-2.014552
"450008"	876.824224	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M-2H"	-2.014552
"830002"	291.603224	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-2H"	-2.014552
"88898"	1169.434724	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M-H"	-1.007276
"522629"	1754.655724	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M-H"	-1.007276
"900066"	584.213724	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-H"	-1.007276
"52983"	1186.461271	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M-2H+NH4"	16.019271
"490717"	1771.682271	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M-2H+NH4"	16.019271
"865114"	601.240271	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-2H+NH4"	16.019271
"35330"	1191.416666	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M-2H+Na"	20.974666
"476714"	1776.637666	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M-2H+Na"	20.974666
"850869"	606.195666	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-2H+Na"	20.974666
"1622955"	606.195666	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Na-2H"	20.974666
"98024"	602.202063	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M-H+Cl"	33.962126
"546340"	894.812563	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M-H+Cl"	33.962126
"938395"	309.591563	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-H+Cl"	33.962126
"280477"	1205.411402	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+Cl"	34.969402
"666821"	1790.632402	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+Cl"	34.969402
"1279224"	620.190402	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Cl"	34.969402
"22874"	1207.390606	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M-2H+K"	36.948606
"462433"	1792.611606	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M-2H+K"	36.948606
"842423"	622.169606	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-2H+K"	36.948606
"1562631"	622.169606	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+K-2H"	36.948606
"952699"	630.219194	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-H+HCOOH"	44.998194
"366538"	1215.440201	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+HCOOH-H"	44.998201
"352617"	1229.455851	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+Hac-H"	59.013851
"1500361"	644.234851	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Hac-H"	59.013851
"967900"	652.201151	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-H+NaCOOH"	66.980151
"120092"	620.190402	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+2Cl"	69.938804
"560742"	912.800902	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+2Cl"	69.938804
"1029542"	327.579902	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2Cl"	69.938804
"1249119"	664.139885	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Br"	78.918885
"1312659"	666.195872	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Cl+HCOOH"	80.974872
"1327970"	688.177829	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Cl+NaCOOH"	102.956829
"919028"	698.206586	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M-H+CF3COOH"	112.985586
"1294642"	734.183264	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Cl+CF3COOH"	148.962264
"1373896"	550.208324	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H-2H2O"	-35.012676
"1385927"	568.2183	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H-H2O"	-17.0027
"286706"	1171.449276	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+H"	1.007276
"686789"	1756.670276	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+H"	1.007276
"1360950"	586.228276	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H"	1.007276
"133838"	586.228276	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+2H"	2.014552
"568295"	878.838776	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+2H"	2.014552
"1040010"	293.617776	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2H"	2.014552
"206453"	391.154609333333	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+3H"	3.021828
"651850"	586.228276	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+3H"	3.021828
"1171076"	196.080942666667	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+3H"	3.021828
"438729"	1188.475823	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+NH4"	18.033823
"799718"	1773.696823	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+NH4"	18.033823
"1695690"	603.254823	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+NH4"	18.033823
"342144"	594.7415495	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+H+NH4"	19.041099
"728005"	887.3520495	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+H+NH4"	19.041099
"1485108"	302.1310495	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H+NH4"	19.041099
"396132"	1193.431218	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+Na"	22.989218
"760406"	1778.652218	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+Na"	22.989218
"1606318"	608.210218	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Na"	22.989218
"315383"	597.219247	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+H+Na"	23.996494
"713152"	889.829747	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+H+Na"	23.996494
"1463693"	304.608747	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H+Na"	23.996494
"1059125"	203.408256666667	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2H+Na"	25.00377
"1265180"	618.254486	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+CH3OH+H"	33.033486
"382661"	1209.405158	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+K"	38.963158
"741831"	1794.626158	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+K"	38.963158
"1546802"	624.184158	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+K"	38.963158
"311635"	605.206217	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+H+K"	39.970434
"706366"	897.816717	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+H+K"	39.970434
"1460064"	312.595717	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H+K"	39.970434
"249760"	1212.475826	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+ACN+H"	42.033826
"1223562"	627.254826	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+ACN+H"	42.033826
"1207081"	314.131051	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+ACN+2H"	43.041102
"200680"	1215.41316	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+2Na-H"	44.97116
"641701"	1800.63416	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+2Na-H"	44.97116
"1142661"	630.19216	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2Na-H"	44.97116
"185948"	608.210218	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+2Na"	45.978436
"625507"	900.820718	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+2Na"	45.978436
"1129380"	315.599718	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2Na"	45.978436
"1410716"	210.735570666667	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H+2Na"	46.985712
"1442099"	632.233746	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H+HCOOH"	47.012746
"230700"	613.24324	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+3H2O+2H"	56.04448
"1521683"	646.28579	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+IsoProp+H"	61.06479
"423195"	616.197188	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+Na+K"	61.952376
"783095"	908.807688	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+Na+K"	61.952376
"1677237"	323.586688	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Na+K"	61.952376
"263024"	1234.457768	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+ACN+Na"	64.015768
"1235734"	649.236768	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+ACN+Na"	64.015768
"1723529"	649.260293	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+NH4+HCOOH"	64.039293
"1191803"	218.062884666667	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+3Na"	68.967654
"1659140"	654.215688	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Na+HCOOH"	68.994688
"167091"	1247.36104	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+2K-H"	76.91904
"606291"	1832.58204	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+2K-H"	76.91904
"1098471"	662.14004	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2K-H"	76.91904
"151274"	624.184158	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"2M+2K"	77.926316
"593022"	916.794658	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"3M+2K"	77.926316
"1077534"	331.573658	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2K"	77.926316
"1108552"	664.154592	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2K+H"	78.933592
"1343846"	664.242207	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+DMSO+H"	79.021207
"1015290"	668.281376	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2ACN+H"	83.060376
"1533782"	669.275008	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+IsoProp+Na+H"	84.054008
"1005095"	334.644326	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+2ACN+2H"	84.067652
"1599112"	670.189628	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+K+HCOOH"	84.968628
"1428782"	700.221138	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+H+CF3COOH"	115.000138
"1162473"	355.157601	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+3ACN+2H"	125.094202
"1711170"	717.247685	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+NH4+CF3COOH"	132.026685
"1639167"	722.20308	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+Na+CF3COOH"	136.98208
"1586846"	738.17702	"C18640"	"epsilon-Rhodomycin T"	"C30H35NO11"	"585.221"	"M+K+CF3COOH"	152.95602
"813934"	571.2054	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M"	0
"984185"	552.18701	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-H2O-H"	-19.01839
"68053"	379.796324	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M-3H"	-3.021828
"507612"	570.198124	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M-3H"	-3.021828
"882496"	189.394524	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-3H"	-3.021828
"9461"	570.198124	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M-2H"	-2.014552
"453398"	855.800824	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M-2H"	-2.014552
"831199"	284.595424	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-2H"	-2.014552
"92288"	1141.403524	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M-H"	-1.007276
"523832"	1712.608924	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M-H"	-1.007276
"902361"	570.198124	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-H"	-1.007276
"53094"	1158.430071	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M-2H+NH4"	16.019271
"491557"	1729.635471	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M-2H+NH4"	16.019271
"869358"	587.224671	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-2H+NH4"	16.019271
"35804"	1163.385466	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M-2H+Na"	20.974666
"479011"	1734.590866	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M-2H+Na"	20.974666
"854989"	592.180066	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-2H+Na"	20.974666
"1625252"	592.180066	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Na-2H"	20.974666
"100686"	588.186463	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M-H+Cl"	33.962126
"547543"	873.789163	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M-H+Cl"	33.962126
"941545"	302.583763	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-H+Cl"	33.962126
"278886"	1177.380202	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+Cl"	34.969402
"666931"	1748.585602	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+Cl"	34.969402
"1280427"	606.174802	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Cl"	34.969402
"26264"	1179.359406	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M-2H+K"	36.948606
"465823"	1750.564806	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M-2H+K"	36.948606
"838159"	608.154006	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-2H+K"	36.948606
"1564927"	608.154006	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+K-2H"	36.948606
"948435"	616.203594	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-H+HCOOH"	44.998194
"366648"	1187.409001	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+HCOOH-H"	44.998201
"358193"	1201.424651	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+Hac-H"	59.013851
"1501564"	630.219251	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Hac-H"	59.013851
"968010"	638.185551	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-H+NaCOOH"	66.980151
"120201"	606.174802	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+2Cl"	69.938804
"560852"	891.777502	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+2Cl"	69.938804
"1029652"	320.572102	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2Cl"	69.938804
"1249229"	650.124285	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Br"	78.918885
"1312769"	652.180272	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Cl+HCOOH"	80.974872
"1328081"	674.162229	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Cl+NaCOOH"	102.956829
"921324"	684.190986	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M-H+CF3COOH"	112.985586
"1295846"	720.167664	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Cl+CF3COOH"	148.962264
"1375099"	536.192724	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H-2H2O"	-35.012676
"1387129"	554.2027	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H-H2O"	-17.0027
"283533"	1143.418076	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+H"	1.007276
"686534"	1714.623476	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+H"	1.007276
"1362883"	572.212676	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H"	1.007276
"133947"	572.212676	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+2H"	2.014552
"572780"	857.815376	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+2H"	2.014552
"1040484"	286.609976	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2H"	2.014552
"212397"	381.810876	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+3H"	3.021828
"653053"	572.212676	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+3H"	3.021828
"1167903"	191.409076	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+3H"	3.021828
"439806"	1160.444623	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+NH4"	18.033823
"791080"	1731.650023	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+NH4"	18.033823
"1696988"	589.239223	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+NH4"	18.033823
"343348"	580.7259495	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+H+NH4"	19.041099
"730302"	866.3286495	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+H+NH4"	19.041099
"1486311"	295.1232495	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H+NH4"	19.041099
"401708"	1165.400018	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+Na"	22.989218
"761610"	1736.605418	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+Na"	22.989218
"1608615"	594.194618	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Na"	22.989218
"323028"	583.203647	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+H+Na"	23.996494
"718001"	868.806347	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+H+Na"	23.996494
"1470364"	297.600947	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H+Na"	23.996494
"1061423"	198.73639	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2H+Na"	25.00377
"1265290"	604.238886	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+CH3OH+H"	33.033486
"383865"	1181.373958	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+K"	38.963158
"749233"	1752.579358	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+K"	38.963158
"1554692"	610.168558	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+K"	38.963158
"313855"	591.190617	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+H+K"	39.970434
"706477"	876.793317	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+H+K"	39.970434
"1460175"	305.587917	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H+K"	39.970434
"251051"	1184.444626	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+ACN+H"	42.033826
"1225420"	613.239226	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+ACN+H"	42.033826
"1209098"	307.123251	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+ACN+2H"	43.041102
"202248"	1187.38196	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+2Na-H"	44.97116
"642419"	1758.58736	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+2Na-H"	44.97116
"1141313"	616.17656	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2Na-H"	44.97116
"185330"	594.194618	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+2Na"	45.978436
"621976"	879.797318	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+2Na"	45.978436
"1127668"	308.591918	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2Na"	45.978436
"1410093"	206.063704	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H+2Na"	46.985712
"1444033"	618.218146	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H+HCOOH"	47.012746
"231903"	599.22764	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+3H2O+2H"	56.04448
"1523253"	632.27019	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+IsoProp+H"	61.06479
"421120"	602.181588	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+Na+K"	61.952376
"783933"	887.784288	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+Na+K"	61.952376
"1678074"	316.578888	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Na+K"	61.952376
"264957"	1206.426568	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+ACN+Na"	64.015768
"1239122"	635.221168	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+ACN+Na"	64.015768
"1724366"	635.244693	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+NH4+HCOOH"	64.039293
"1191548"	213.391018	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+3Na"	68.967654
"1660341"	640.200088	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Na+HCOOH"	68.994688
"166108"	1219.32984	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+2K-H"	76.91904
"607855"	1790.53524	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+2K-H"	76.91904
"1098581"	648.12444	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2K-H"	76.91904
"151384"	610.168558	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"2M+2K"	77.926316
"592038"	895.771258	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"3M+2K"	77.926316
"1079830"	324.565858	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2K"	77.926316
"1108661"	650.138992	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2K+H"	78.933592
"1346872"	650.226607	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+DMSO+H"	79.021207
"1015764"	654.265776	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2ACN+H"	83.060376
"1529519"	655.259408	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+IsoProp+Na+H"	84.054008
"1005085"	327.636526	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+2ACN+2H"	84.067652
"1598858"	656.174028	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+K+HCOOH"	84.968628
"1427069"	686.205538	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+H+CF3COOH"	115.000138
"1161730"	348.149801	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+3ACN+2H"	125.094202
"1709094"	703.232085	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+NH4+CF3COOH"	132.026685
"1639277"	708.18748	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+Na+CF3COOH"	136.98208
"1586956"	724.16142	"C18641"	"15-Demethoxy-epsilon-rhodomycin"	"C29H33NO11"	"571.2054"	"M+K+CF3COOH"	152.95602
"814044"	543.2104	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M"	0
"978828"	524.19201	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-H2O-H"	-19.01839
"68163"	361.132990666667	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M-3H"	-3.021828
"507722"	542.203124	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M-3H"	-3.021828
"880419"	180.062857333333	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-3H"	-3.021828
"6291"	542.203124	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M-2H"	-2.014552
"449135"	813.808324	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M-2H"	-2.014552
"824749"	270.597924	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-2H"	-2.014552
"86931"	1085.413524	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M-H"	-1.007276
"521028"	1628.623924	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M-H"	-1.007276
"900285"	542.203124	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-H"	-1.007276
"53204"	1102.440071	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M-2H+NH4"	16.019271
"489480"	1645.650471	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M-2H+NH4"	16.019271
"865333"	559.229671	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-2H+NH4"	16.019271
"35186"	1107.395466	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M-2H+Na"	20.974666
"476934"	1650.605866	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M-2H+Na"	20.974666
"852548"	564.185066	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-2H+Na"	20.974666
"1626455"	564.185066	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Na-2H"	20.974666
"100796"	560.191463	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M-H+Cl"	33.962126
"546924"	831.796663	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M-H+Cl"	33.962126
"939345"	288.586263	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-H+Cl"	33.962126
"278996"	1121.390202	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+Cl"	34.969402
"669228"	1664.600602	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+Cl"	34.969402
"1280537"	578.179802	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Cl"	34.969402
"26374"	1123.369406	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M-2H+K"	36.948606
"464840"	1666.579806	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M-2H+K"	36.948606
"838269"	580.159006	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-2H+K"	36.948606
"1563944"	580.159006	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+K-2H"	36.948606
"948545"	588.208594	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-H+HCOOH"	44.998194
"366758"	1131.419001	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+HCOOH-H"	44.998201
"358303"	1145.434651	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+Hac-H"	59.013851
"1501674"	602.224251	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Hac-H"	59.013851
"968120"	610.190551	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-H+NaCOOH"	66.980151
"120311"	578.179802	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+2Cl"	69.938804
"560962"	849.785002	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+2Cl"	69.938804
"1031948"	306.574602	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2Cl"	69.938804
"1249339"	622.129285	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Br"	78.918885
"1313972"	624.185272	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Cl+HCOOH"	80.974872
"1328191"	646.167229	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Cl+NaCOOH"	102.956829
"921434"	656.195986	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M-H+CF3COOH"	112.985586
"1295955"	692.172664	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Cl+CF3COOH"	148.962264
"1375209"	508.197724	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H-2H2O"	-35.012676
"1385052"	526.2077	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H-H2O"	-17.0027
"284008"	1087.428076	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+H"	1.007276
"685915"	1630.638476	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+H"	1.007276
"1362993"	544.217676	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H"	1.007276
"132964"	544.217676	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+2H"	2.014552
"569974"	815.822876	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+2H"	2.014552
"1040230"	272.612476	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2H"	2.014552
"207401"	363.147542666667	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+3H"	3.021828
"650977"	544.217676	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+3H"	3.021828
"1169104"	182.077409333333	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+3H"	3.021828
"426182"	1104.454623	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+NH4"	18.033823
"788271"	1647.665023	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+NH4"	18.033823
"1686061"	561.244223	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+NH4"	18.033823
"342360"	552.7309495	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+H+NH4"	19.041099
"733690"	824.3361495	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+H+NH4"	19.041099
"1484231"	281.1257495	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H+NH4"	19.041099
"397444"	1109.410018	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+Na"	22.989218
"756980"	1652.620418	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+Na"	22.989218
"1605445"	566.199618	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Na"	22.989218
"322045"	555.208647	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+H+Na"	23.996494
"712278"	826.813847	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+H+Na"	23.996494
"1469380"	283.603447	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H+Na"	23.996494
"1058252"	189.404723333333	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2H+Na"	25.00377
"1266492"	576.243886	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+CH3OH+H"	33.033486
"386161"	1125.383958	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+K"	38.963158
"748250"	1668.594358	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+K"	38.963158
"1553585"	582.173558	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+K"	38.963158
"309668"	563.195617	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+H+K"	39.970434
"706101"	834.800817	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+H+K"	39.970434
"1457734"	291.590417	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H+K"	39.970434
"249980"	1128.454626	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+ACN+H"	42.033826
"1225412"	585.244226	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+ACN+H"	42.033826
"1206573"	293.125751	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+ACN+2H"	43.041102
"199077"	1131.39196	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+2Na-H"	44.97116
"637911"	1674.60236	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+2Na-H"	44.97116
"1141418"	588.18156	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2Na-H"	44.97116
"185803"	566.199618	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+2Na"	45.978436
"624999"	837.804818	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+2Na"	45.978436
"1128140"	294.594418	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2Na"	45.978436
"1410202"	196.732037333333	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H+2Na"	46.985712
"1442317"	590.223146	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H+HCOOH"	47.012746
"227638"	571.23264	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+3H2O+2H"	56.04448
"1515702"	604.27519	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+IsoProp+H"	61.06479
"421958"	574.186588	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+Na+K"	61.952376
"784406"	845.791788	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+Na+K"	61.952376
"1678184"	302.581388	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Na+K"	61.952376
"263609"	1150.436568	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+ACN+Na"	64.015768
"1238504"	607.226168	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+ACN+Na"	64.015768
"1723015"	607.249693	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+NH4+HCOOH"	64.039293
"1188371"	204.059351333333	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+3Na"	68.967654
"1658263"	612.205088	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Na+HCOOH"	68.994688
"166214"	1163.33984	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+2K-H"	76.91904
"606866"	1706.55024	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+2K-H"	76.91904
"1093583"	620.12944	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2K-H"	76.91904
"152587"	582.173558	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"2M+2K"	77.926316
"592147"	853.778758	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"3M+2K"	77.926316
"1079940"	310.568358	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2K"	77.926316
"1107678"	622.143992	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2K+H"	78.933592
"1345157"	622.231607	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+DMSO+H"	79.021207
"1014781"	626.270776	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2ACN+H"	83.060376
"1533998"	627.264408	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+IsoProp+Na+H"	84.054008
"1002638"	313.639026	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+2ACN+2H"	84.067652
"1600790"	628.179028	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+K+HCOOH"	84.968628
"1427543"	658.210538	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+H+CF3COOH"	115.000138
"1159653"	334.152301	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+3ACN+2H"	125.094202
"1708108"	675.237085	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+NH4+CF3COOH"	132.026685
"1639386"	680.19248	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+Na+CF3COOH"	136.98208
"1573944"	696.16642	"C18642"	"beta-Rhodomycin;Rhodomycin B"	"C28H33NO10"	"543.2104"	"M+K+CF3COOH"	152.95602
"814154"	559.1332	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M"	0
"978938"	540.11481	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-H2O-H"	-19.01839
"68273"	371.748190666667	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M-3H"	-3.021828
"507832"	558.125924	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M-3H"	-3.021828
"883446"	185.370457333333	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-3H"	-3.021828
"5308"	558.125924	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H"	-2.014552
"451432"	837.692524	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H"	-2.014552
"823766"	278.559324	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H"	-2.014552
"87041"	1117.259124	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M-H"	-1.007276
"530977"	1676.392324	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M-H"	-1.007276
"899303"	558.125924	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-H"	-1.007276
"53314"	1134.285671	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+NH4"	16.019271
"488252"	1693.418871	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+NH4"	16.019271
"864836"	575.152471	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+NH4"	16.019271
"35295"	1139.241066	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+Na"	20.974666
"478137"	1698.374266	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+Na"	20.974666
"852658"	580.107866	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+Na"	20.974666
"1626565"	580.107866	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na-2H"	20.974666
"99813"	576.114263	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M-H+Cl"	33.962126
"547034"	855.680863	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M-H+Cl"	33.962126
"941276"	296.547663	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+Cl"	33.962126
"278012"	1153.235802	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Cl"	34.969402
"667151"	1712.369002	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Cl"	34.969402
"1277367"	594.102602	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl"	34.969402
"23204"	1155.215006	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M-2H+K"	36.948606
"463857"	1714.348206	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M-2H+K"	36.948606
"842754"	596.081806	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-2H+K"	36.948606
"1565149"	596.081806	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+K-2H"	36.948606
"951936"	604.131394	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+HCOOH"	44.998194
"365776"	1163.264601	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+HCOOH-H"	44.998201
"358415"	1177.280251	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Hac-H"	59.013851
"1500690"	618.147051	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Hac-H"	59.013851
"966045"	626.113351	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+NaCOOH"	66.980151
"118234"	594.102602	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Cl"	69.938804
"557791"	873.669202	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Cl"	69.938804
"1029870"	314.536002	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Cl"	69.938804
"1253821"	638.052085	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Br"	78.918885
"1314083"	640.108072	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+HCOOH"	80.974872
"1333039"	662.090029	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+NaCOOH"	102.956829
"922638"	672.118786	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M-H+CF3COOH"	112.985586
"1294973"	708.095464	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Cl+CF3COOH"	148.962264
"1374226"	524.120524	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H-2H2O"	-35.012676
"1385161"	542.1305	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H-H2O"	-17.0027
"283389"	1119.273676	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H"	1.007276
"687119"	1678.406876	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H"	1.007276
"1363467"	560.140476	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H"	1.007276
"133074"	560.140476	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2H"	2.014552
"568991"	839.707076	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2H"	2.014552
"1041069"	280.573876	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2H"	2.014552
"207874"	373.762742666667	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+3H"	3.021828
"647803"	560.140476	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+3H"	3.021828
"1168119"	187.385009333333	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+3H"	3.021828
"431393"	1136.300223	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+NH4"	18.033823
"789110"	1695.433423	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+NH4"	18.033823
"1685443"	577.167023	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4"	18.033823
"340284"	568.6537495	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+NH4"	19.041099
"731613"	848.2203495	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+NH4"	19.041099
"1486528"	289.0871495	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+NH4"	19.041099
"396461"	1141.255618	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Na"	22.989218
"757457"	1700.388818	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Na"	22.989218
"1607743"	582.122418	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na"	22.989218
"319969"	571.131447	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+Na"	23.996494
"712388"	850.698047	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+Na"	23.996494
"1467303"	291.564847	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+Na"	23.996494
"1059456"	194.712323333333	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2H+Na"	25.00377
"1266602"	592.166686	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+CH3OH+H"	33.033486
"385177"	1157.229558	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+K"	38.963158
"748360"	1716.362758	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+K"	38.963158
"1553692"	598.096358	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+K"	38.963158
"311601"	579.118417	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+H+K"	39.970434
"706211"	858.685017	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+H+K"	39.970434
"1458573"	299.551817	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+K"	39.970434
"250333"	1160.300226	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+H"	42.033826
"1225535"	601.167026	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+H"	42.033826
"1205588"	301.087151	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+2H"	43.041102
"198458"	1163.23756	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Na-H"	44.97116
"636927"	1722.37076	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Na-H"	44.97116
"1140800"	604.10436	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Na-H"	44.97116
"183361"	582.122418	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2Na"	45.978436
"625473"	861.689018	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2Na"	45.978436
"1128250"	302.555818	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2Na"	45.978436
"1411772"	202.039637333333	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+2Na"	46.985712
"1442063"	606.145946	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+HCOOH"	47.012746
"229934"	587.15544	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+3H2O+2H"	56.04448
"1516905"	620.19799	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+H"	61.06479
"421337"	590.109388	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+Na+K"	61.952376
"784397"	869.675988	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+Na+K"	61.952376
"1678660"	310.542788	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+K"	61.952376
"264813"	1182.282168	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+Na"	64.015768
"1237887"	623.148968	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+ACN+Na"	64.015768
"1723126"	623.172493	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4+HCOOH"	64.039293
"1185930"	209.366951333333	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+3Na"	68.967654
"1658373"	628.127888	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+HCOOH"	68.994688
"168511"	1195.18544	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2K-H"	76.91904
"608072"	1754.31864	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2K-H"	76.91904
"1093693"	636.05224	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K-H"	76.91904
"150511"	598.096358	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"2M+2K"	77.926316
"592257"	877.662958	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"3M+2K"	77.926316
"1080050"	318.529758	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K"	77.926316
"1104508"	638.066792	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2K+H"	78.933592
"1345267"	638.154407	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+DMSO+H"	79.021207
"1013798"	642.193576	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+H"	83.060376
"1533012"	643.187208	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+Na+H"	84.054008
"1002748"	321.600426	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+2H"	84.067652
"1595061"	644.101828	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+K+HCOOH"	84.968628
"1428382"	674.133338	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+H+CF3COOH"	115.000138
"1161585"	342.113701	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+3ACN+2H"	125.094202
"1708218"	691.159885	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+NH4+CF3COOH"	132.026685
"1639496"	696.11528	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+Na+CF3COOH"	136.98208
"1574054"	712.08922	"C18643"	"dTDP-beta-L-rhodosamine;dTDP-L-rhodosamine"	"C18H31N3O13P2"	"559.1332"	"M+K+CF3COOH"	152.95602
"813171"	345.0371	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M"	0
"977955"	326.01871	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-H2O-H"	-19.01839
"67290"	229.017457333333	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M-3H"	-3.021828
"507942"	344.029824	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M-3H"	-3.021828
"883556"	114.005090666667	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-3H"	-3.021828
"5417"	344.029824	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M-2H"	-2.014552
"451542"	516.548374	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M-2H"	-2.014552
"823876"	171.511274	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-2H"	-2.014552
"90431"	689.066924	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M-H"	-1.007276
"528901"	1034.104024	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M-H"	-1.007276
"897954"	344.029824	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-H"	-1.007276
"49775"	706.093471	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M-2H+NH4"	16.019271
"488604"	1051.130571	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M-2H+NH4"	16.019271
"865674"	361.056371	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-2H+NH4"	16.019271
"33946"	711.048866	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M-2H+Na"	20.974666
"473139"	1056.085966	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M-2H+Na"	20.974666
"849847"	366.011766	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-2H+Na"	20.974666
"1626675"	366.011766	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Na-2H"	20.974666
"99923"	362.018163	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M-H+Cl"	33.962126
"546049"	534.536713	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M-H+Cl"	33.962126
"935190"	189.499613	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-H+Cl"	33.962126
"279216"	725.043602	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+Cl"	34.969402
"665075"	1070.080702	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+Cl"	34.969402
"1275291"	380.006502	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Cl"	34.969402
"18941"	727.022806	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M-2H+K"	36.948606
"457407"	1072.059906	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M-2H+K"	36.948606
"837397"	381.985706	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-2H+K"	36.948606
"1560885"	381.985706	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+K-2H"	36.948606
"948766"	390.035294	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-H+HCOOH"	44.998194
"365886"	735.072401	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+HCOOH-H"	44.998201
"358523"	749.088051	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+Hac-H"	59.013851
"1501893"	404.050951	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Hac-H"	59.013851
"968341"	412.017251	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-H+NaCOOH"	66.980151
"117250"	380.006502	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+2Cl"	69.938804
"558994"	552.525052	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+2Cl"	69.938804
"1029979"	207.487952	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2Cl"	69.938804
"1253931"	423.955985	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Br"	78.918885
"1314193"	426.011972	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Cl+HCOOH"	80.974872
"1330594"	447.993929	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Cl+NaCOOH"	102.956829
"921655"	458.022686	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M-H+CF3COOH"	112.985586
"1291802"	493.999364	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Cl+CF3COOH"	148.962264
"1378709"	310.024424	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H-2H2O"	-35.012676
"1382918"	328.0344	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H-H2O"	-17.0027
"283864"	691.081476	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+H"	1.007276
"685042"	1036.118576	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+H"	1.007276
"1363577"	346.044376	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H"	1.007276
"134277"	346.044376	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+2H"	2.014552
"569101"	518.562926	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+2H"	2.014552
"1040450"	173.525826	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2H"	2.014552
"207621"	231.032009333333	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+3H"	3.021828
"648277"	346.044376	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+3H"	3.021828
"1168229"	116.019642666667	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+3H"	3.021828
"432596"	708.108023	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+NH4"	18.033823
"790313"	1053.145123	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+NH4"	18.033823
"1686646"	363.070923	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+NH4"	18.033823
"340394"	354.5576495	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+H+NH4"	19.041099
"727349"	527.0761995	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+H+NH4"	19.041099
"1482264"	182.0390995	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H+NH4"	19.041099
"393774"	713.063418	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+Na"	22.989218
"755377"	1058.100518	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+Na"	22.989218
"1603352"	368.026318	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Na"	22.989218
"316799"	357.035347	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+H+Na"	23.996494
"709218"	529.553897	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+H+Na"	23.996494
"1466320"	184.516797	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H+Na"	23.996494
"1059566"	123.346956666667	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2H+Na"	25.00377
"1263432"	378.070586	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+CH3OH+H"	33.033486
"382006"	729.037358	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+K"	38.963158
"746283"	1074.074458	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+K"	38.963158
"1550522"	384.000258	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+K"	38.963158
"308431"	365.022317	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+H+K"	39.970434
"703404"	537.540867	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+H+K"	39.970434
"1455767"	192.503767	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H+K"	39.970434
"248377"	732.108026	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+ACN+H"	42.033826
"1222544"	387.070926	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+ACN+H"	42.033826
"1200231"	194.039101	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+ACN+2H"	43.041102
"198567"	735.04536	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+2Na-H"	44.97116
"637037"	1080.08246	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+2Na-H"	44.97116
"1137263"	390.00826	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2Na-H"	44.97116
"180554"	368.026318	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+2Na"	45.978436
"618291"	540.544868	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+2Na"	45.978436
"1124713"	195.507768	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2Na"	45.978436
"1408235"	130.674270666667	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H+2Na"	46.985712
"1437070"	392.049846	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H+HCOOH"	47.012746
"227858"	373.05934	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+3H2O+2H"	56.04448
"1518106"	406.10189	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+IsoProp+H"	61.06479
"418888"	376.013288	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+Na+K"	61.952376
"783654"	548.531838	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+Na+K"	61.952376
"1678769"	203.494738	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Na+K"	61.952376
"264921"	754.089968	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+ACN+Na"	64.015768
"1238359"	409.052868	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+ACN+Na"	64.015768
"1724326"	409.076393	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+NH4+HCOOH"	64.039293
"1186404"	138.001584666667	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+3Na"	68.967654
"1660305"	414.031788	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Na+HCOOH"	68.994688
"169349"	766.99324	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+2K-H"	76.91904
"607086"	1112.03034	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+2K-H"	76.91904
"1093803"	421.95614	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2K-H"	76.91904
"150621"	384.000258	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"2M+2K"	77.926316
"592367"	556.518808	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"3M+2K"	77.926316
"1076880"	211.481708	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2K"	77.926316
"1105711"	423.970692	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2K+H"	78.933592
"1345376"	424.058307	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+DMSO+H"	79.021207
"1016094"	428.097476	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2ACN+H"	83.060376
"1533122"	429.091108	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+IsoProp+Na+H"	84.054008
"1002737"	214.552376	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+2ACN+2H"	84.067652
"1597357"	430.005728	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+K+HCOOH"	84.968628
"1428735"	460.037238	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+H+CF3COOH"	115.000138
"1161574"	235.065651	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+3ACN+2H"	125.094202
"1708328"	477.063785	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+NH4+CF3COOH"	132.026685
"1639606"	482.01918	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+Na+CF3COOH"	136.98208
"1574164"	497.99312	"C18644"	"Azinphos-ethyl"	"C12H16N3O3PS2"	"345.0371"	"M+K+CF3COOH"	152.95602
"814374"	190.0776	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M"	0
"978065"	171.05921	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-H2O-H"	-19.01839
"68493"	125.711124	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M-3H"	-3.021828
"508052"	189.070324	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M-3H"	-3.021828
"884759"	62.351924	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-3H"	-3.021828
"5527"	189.070324	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M-2H"	-2.014552
"449465"	284.109124	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M-2H"	-2.014552
"820340"	94.031524	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-2H"	-2.014552
"90542"	379.147924	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M-H"	-1.007276
"531198"	569.225524	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M-H"	-1.007276
"899158"	189.070324	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-H"	-1.007276
"49521"	396.174471	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M-2H+NH4"	16.019271
"488350"	586.252071	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M-2H+NH4"	16.019271
"865907"	206.096871	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-2H+NH4"	16.019271
"33692"	401.129866	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M-2H+Na"	20.974666
"472398"	591.207466	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M-2H+Na"	20.974666
"850322"	211.052266	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-2H+Na"	20.974666
"1623504"	211.052266	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Na-2H"	20.974666
"100033"	207.058663	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M-H+Cl"	33.962126
"545431"	302.097463	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M-H+Cl"	33.962126
"936393"	112.019863	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-H+Cl"	33.962126
"280055"	415.124602	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+Cl"	34.969402
"665185"	605.202202	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+Cl"	34.969402
"1276494"	225.047002	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Cl"	34.969402
"20144"	417.103806	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M-2H+K"	36.948606
"460797"	607.181406	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M-2H+K"	36.948606
"837507"	227.026206	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-2H+K"	36.948606
"1560995"	227.026206	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+K-2H"	36.948606
"947782"	235.075794	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-H+HCOOH"	44.998194
"365996"	425.153401	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+HCOOH-H"	44.998201
"354260"	439.169051	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+Hac-H"	59.013851
"1500910"	249.091451	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Hac-H"	59.013851
"966265"	257.057751	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-H+NaCOOH"	66.980151
"116266"	225.047002	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+2Cl"	69.938804
"560197"	320.085802	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+2Cl"	69.938804
"1031183"	130.008202	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2Cl"	69.938804
"1254041"	268.996485	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Br"	78.918885
"1314302"	271.052472	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Cl+HCOOH"	80.974872
"1328516"	293.034429	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Cl+NaCOOH"	102.956829
"919576"	303.063186	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M-H+CF3COOH"	112.985586
"1298473"	339.039864	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Cl+CF3COOH"	148.962264
"1376633"	155.064924	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H-2H2O"	-35.012676
"1383679"	173.0749	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H-H2O"	-17.0027
"285067"	381.162476	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+H"	1.007276
"684059"	571.240076	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+H"	1.007276
"1361501"	191.084876	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H"	1.007276
"136574"	191.084876	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+2H"	2.014552
"572857"	286.123676	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+2H"	2.014552
"1042383"	96.046076	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2H"	2.014552
"207002"	127.725676	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+3H"	3.021828
"646199"	191.084876	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+3H"	3.021828
"1168701"	64.366476	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+3H"	3.021828
"432705"	398.189023	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+NH4"	18.033823
"794795"	588.266623	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+NH4"	18.033823
"1691125"	208.111423	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+NH4"	18.033823
"337215"	199.5981495	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+H+NH4"	19.041099
"727459"	294.6369495	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+H+NH4"	19.041099
"1487477"	104.5593495	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H+NH4"	19.041099
"396314"	403.144418	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+Na"	22.989218
"755000"	593.222018	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+Na"	22.989218
"1605045"	213.066818	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Na"	22.989218
"316909"	202.075847	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+H+Na"	23.996494
"713702"	297.114647	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+H+Na"	23.996494
"1465337"	107.037047	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H+Na"	23.996494
"1059676"	71.69379	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2H+Na"	25.00377
"1263541"	223.111086	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+CH3OH+H"	33.033486
"381023"	419.118358	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+K"	38.963158
"745300"	609.195958	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+K"	38.963158
"1549538"	229.040758	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+K"	38.963158
"307813"	210.062817	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+H+K"	39.970434
"700599"	305.101617	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+H+K"	39.970434
"1454783"	115.024017	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H+K"	39.970434
"247029"	422.189026	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+ACN+H"	42.033826
"1220830"	232.111426	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+ACN+H"	42.033826
"1200341"	116.559351	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+ACN+2H"	43.041102
"198676"	425.12636	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+2Na-H"	44.97116
"633867"	615.20396	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+2Na-H"	44.97116
"1138466"	235.04876	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2Na-H"	44.97116
"179571"	213.066818	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+2Na"	45.978436
"616943"	308.105618	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+2Na"	45.978436
"1121543"	118.028018	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2Na"	45.978436
"1408345"	79.021104	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H+2Na"	46.985712
"1440460"	237.090346	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H+HCOOH"	47.012746
"227968"	218.09984	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+3H2O+2H"	56.04448
"1519309"	251.14239	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+IsoProp+H"	61.06479
"418998"	221.053788	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+Na+K"	61.952376
"775981"	316.092588	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+Na+K"	61.952376
"1674132"	126.014988	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Na+K"	61.952376
"265396"	444.170968	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+ACN+Na"	64.015768
"1238468"	254.093368	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+ACN+Na"	64.015768
"1723342"	254.116893	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+NH4+HCOOH"	64.039293
"1188336"	86.348418	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+3Na"	68.967654
"1660779"	259.072288	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Na+HCOOH"	68.994688
"168730"	457.07424	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+2K-H"	76.91904
"608290"	647.15184	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+2K-H"	76.91904
"1093913"	266.99664	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2K-H"	76.91904
"150731"	229.040758	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"2M+2K"	77.926316
"592477"	324.079558	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"3M+2K"	77.926316
"1076990"	134.001958	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2K"	77.926316
"1106914"	269.011192	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2K+H"	78.933592
"1346579"	269.098807	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+DMSO+H"	79.021207
"1014018"	273.137976	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2ACN+H"	83.060376
"1534326"	274.131608	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+IsoProp+Na+H"	84.054008
"1002968"	137.072626	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+2ACN+2H"	84.067652
"1595282"	275.046228	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+K+HCOOH"	84.968628
"1428600"	305.077738	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+H+CF3COOH"	115.000138
"1158889"	157.585901	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+3ACN+2H"	125.094202
"1708438"	322.104285	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+NH4+CF3COOH"	132.026685
"1636436"	327.05968	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+Na+CF3COOH"	136.98208
"1574274"	343.03362	"C18645"	"Butocarboxim"	"C7H14N2O2S"	"190.0776"	"M+K+CF3COOH"	152.95602
"807924"	222.0674	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M"	0
"983645"	203.04901	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-H2O-H"	-19.01839
"67511"	147.037657333333	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M-3H"	-3.021828
"513633"	221.060124	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M-3H"	-3.021828
"889248"	73.0151906666667	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-3H"	-3.021828
"14999"	221.060124	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M-2H"	-2.014552
"449575"	332.093824	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M-2H"	-2.014552
"824096"	110.026424	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-2H"	-2.014552
"93694"	443.127524	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M-H"	-1.007276
"528028"	665.194924	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M-H"	-1.007276
"899267"	221.060124	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-H"	-1.007276
"50723"	460.154071	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M-2H+NH4"	16.019271
"490646"	682.221471	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M-2H+NH4"	16.019271
"868085"	238.086671	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-2H+NH4"	16.019271
"34894"	465.109466	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M-2H+Na"	20.974666
"475915"	687.176866	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M-2H+Na"	20.974666
"858456"	243.042066	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-2H+Na"	20.974666
"1626897"	243.042066	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Na-2H"	20.974666
"105614"	239.048463	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M-H+Cl"	33.962126
"549677"	350.082163	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M-H+Cl"	33.962126
"936503"	128.014763	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-H+Cl"	33.962126
"280653"	479.104202	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+Cl"	34.969402
"671493"	701.171602	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+Cl"	34.969402
"1282075"	257.036802	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Cl"	34.969402
"30712"	481.083406	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M-2H+K"	36.948606
"468932"	703.150806	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M-2H+K"	36.948606
"841993"	259.016006	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-2H+K"	36.948606
"1561107"	259.016006	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+K-2H"	36.948606
"952270"	267.065594	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-H+HCOOH"	44.998194
"367205"	489.133001	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+HCOOH-H"	44.998201
"357650"	503.148651	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+Hac-H"	59.013851
"1499928"	281.081251	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Hac-H"	59.013851
"967470"	289.047551	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-H+NaCOOH"	66.980151
"119657"	257.036802	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+2Cl"	69.938804
"558126"	368.070502	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+2Cl"	69.938804
"1031299"	146.003102	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2Cl"	69.938804
"1251969"	300.986285	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Br"	78.918885
"1318062"	303.042272	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Cl+HCOOH"	80.974872
"1334098"	325.024229	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Cl+NaCOOH"	102.956829
"924062"	335.052986	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M-H+CF3COOH"	112.985586
"1294208"	371.029664	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Cl+CF3COOH"	148.962264
"1372368"	187.054724	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H-2H2O"	-35.012676
"1386584"	205.0647	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H-H2O"	-17.0027
"283347"	445.142076	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+H"	1.007276
"681982"	667.209476	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+H"	1.007276
"1357236"	223.074676	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H"	1.007276
"133405"	223.074676	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+2H"	2.014552
"569688"	334.108376	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+2H"	2.014552
"1045048"	112.040976	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2H"	2.014552
"210760"	149.052209333333	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+3H"	3.021828
"652513"	223.074676	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+3H"	3.021828
"1173919"	75.0297426666667	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+3H"	3.021828
"428445"	462.168623	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+NH4"	18.033823
"789440"	684.236023	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+NH4"	18.033823
"1686865"	240.101223	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+NH4"	18.033823
"336235"	231.5879495	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+H+NH4"	19.041099
"728658"	342.6216495	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+H+NH4"	19.041099
"1483579"	120.5542495	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H+NH4"	19.041099
"397885"	467.124018	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+Na"	22.989218
"756697"	689.191418	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+Na"	22.989218
"1606982"	245.056618	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Na"	22.989218
"315922"	234.065647	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+H+Na"	23.996494
"713813"	345.099347	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+H+Na"	23.996494
"1470915"	123.031947	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H+Na"	23.996494
"1063069"	82.3570566666667	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2H+Na"	25.00377
"1265839"	255.100886	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+CH3OH+H"	33.033486
"381134"	483.097958	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+K"	38.963158
"752337"	705.165358	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+K"	38.963158
"1552931"	261.030558	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+K"	38.963158
"313025"	242.052617	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+H+K"	39.970434
"702530"	353.086317	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+H+K"	39.970434
"1455258"	131.018917	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H+K"	39.970434
"247139"	486.168626	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+ACN+H"	42.033826
"1222035"	264.101226	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+ACN+H"	42.033826
"1201543"	132.554251	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+ACN+2H"	43.041102
"195510"	489.10596	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+2Na-H"	44.97116
"633246"	711.17336	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+2Na-H"	44.97116
"1134203"	267.03856	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2Na-H"	44.97116
"177494"	245.056618	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+2Na"	45.978436
"615961"	356.090318	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+2Na"	45.978436
"1122748"	134.022918	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2Na"	45.978436
"1402990"	89.6843706666667	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H+2Na"	46.985712
"1439479"	269.080146	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H+HCOOH"	47.012746
"234278"	250.08964	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+3H2O+2H"	56.04448
"1520516"	283.13219	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+H"	61.06479
"420201"	253.043588	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+Na+K"	61.952376
"777915"	364.077288	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+Na+K"	61.952376
"1676433"	142.009888	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Na+K"	61.952376
"262954"	508.150568	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+ACN+Na"	64.015768
"1235662"	286.083168	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+ACN+Na"	64.015768
"1722360"	286.106693	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+NH4+HCOOH"	64.039293
"1188805"	97.0116846666667	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+3Na"	68.967654
"1659795"	291.062088	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Na+HCOOH"	68.994688
"165561"	521.05384	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+2K-H"	76.91904
"605119"	743.12124	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+2K-H"	76.91904
"1095116"	298.98644	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2K-H"	76.91904
"156192"	261.030558	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"2M+2K"	77.926316
"597044"	372.064258	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"3M+2K"	77.926316
"1080381"	149.996858	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2K"	77.926316
"1112496"	301.000992	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2K+H"	78.933592
"1351181"	301.088607	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+DMSO+H"	79.021207
"1018505"	305.127776	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2ACN+H"	83.060376
"1536631"	306.121408	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+Na+H"	84.054008
"1004903"	153.067526	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+2ACN+2H"	84.067652
"1596488"	307.036028	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+K+HCOOH"	84.968628
"1423238"	337.067538	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+H+CF3COOH"	115.000138
"1151341"	173.580801	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+3ACN+2H"	125.094202
"1705268"	354.094085	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+NH4+CF3COOH"	132.026685
"1639824"	359.04948	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+Na+CF3COOH"	136.98208
"1572562"	375.02342	"C18646"	"Butoxycarboxim"	"C7H14N2O4S"	"222.0674"	"M+K+CF3COOH"	152.95602
"813504"	397.6903	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M"	0
"981568"	378.67191	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-H2O-H"	-19.01839
"74183"	264.119590666667	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M-3H"	-3.021828
"510463"	396.683024	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M-3H"	-3.021828
"887171"	131.556157333333	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-3H"	-3.021828
"15392"	396.683024	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M-2H"	-2.014552
"451872"	595.528174	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M-2H"	-2.014552
"828586"	197.837874	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-2H"	-2.014552
"88577"	794.373324	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M-H"	-1.007276
"528136"	1192.063624	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M-H"	-1.007276
"901569"	396.683024	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-H"	-1.007276
"60318"	811.399871	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M-2H+NH4"	16.019271
"496597"	1209.090171	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M-2H+NH4"	16.019271
"877681"	413.709571	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-2H+NH4"	16.019271
"42300"	816.355266	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M-2H+Na"	20.974666
"479674"	1214.045566	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M-2H+Na"	20.974666
"853100"	418.664966	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-2H+Na"	20.974666
"1627005"	418.664966	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Na-2H"	20.974666
"98067"	414.671363	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M-H+Cl"	33.962126
"545285"	613.516513	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M-H+Cl"	33.962126
"942456"	215.826213	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-H+Cl"	33.962126
"279923"	830.350002	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+Cl"	34.969402
"674286"	1228.040302	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+Cl"	34.969402
"1287782"	432.659702	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Cl"	34.969402
"28397"	832.329206	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M-2H+K"	36.948606
"470140"	1230.019506	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M-2H+K"	36.948606
"847208"	434.638906	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-2H+K"	36.948606
"1570291"	434.638906	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+K-2H"	36.948606
"955661"	442.688494	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-H+HCOOH"	44.998194
"367679"	840.378801	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+HCOOH-H"	44.998201
"356668"	854.394451	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+Hac-H"	59.013851
"1504415"	456.704151	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Hac-H"	59.013851
"967581"	464.670451	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-H+NaCOOH"	66.980151
"119765"	432.659702	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+2Cl"	69.938804
"560418"	631.504852	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+2Cl"	69.938804
"1034686"	233.814552	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2Cl"	69.938804
"1255358"	476.609185	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Br"	78.918885
"1314527"	478.665172	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Cl+HCOOH"	80.974872
"1334208"	500.647129	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Cl+NaCOOH"	102.956829
"916519"	510.675886	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M-H+CF3COOH"	112.985586
"1296509"	546.652564	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Cl+CF3COOH"	148.962264
"1372482"	362.677624	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H-2H2O"	-35.012676
"1394356"	380.6876	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H-H2O"	-17.0027
"289667"	796.387876	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+H"	1.007276
"685371"	1194.078176	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+H"	1.007276
"1362453"	398.697576	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H"	1.007276
"138621"	398.697576	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+2H"	2.014552
"578180"	597.542726	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+2H"	2.014552
"1042974"	199.852426	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2H"	2.014552
"209784"	266.134142666667	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+3H"	3.021828
"650437"	398.697576	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+3H"	3.021828
"1170753"	133.570709333333	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+3H"	3.021828
"432930"	813.414423	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+NH4"	18.033823
"797209"	1211.104723	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+NH4"	18.033823
"1690259"	415.724123	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+NH4"	18.033823
"337442"	407.2108495	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+H+NH4"	19.041099
"728769"	606.0559995	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+H+NH4"	19.041099
"1483690"	208.3656995	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H+NH4"	19.041099
"394718"	818.369818	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+Na"	22.989218
"754859"	1216.060118	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+Na"	22.989218
"1612561"	420.679518	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Na"	22.989218
"319317"	409.688547	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+H+Na"	23.996494
"717206"	608.533697	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+H+Na"	23.996494
"1473213"	210.843397	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H+Na"	23.996494
"1060992"	140.898023333333	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2H+Na"	25.00377
"1264856"	430.723786	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+CH3OH+H"	33.033486
"391087"	834.343758	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+K"	38.963158
"750990"	1232.034058	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+K"	38.963158
"1554868"	436.653458	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+K"	38.963158
"308032"	417.675517	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+H+K"	39.970434
"703735"	616.520667	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+H+K"	39.970434
"1450994"	218.830367	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H+K"	39.970434
"242875"	837.414426	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+ACN+H"	42.033826
"1215585"	439.724126	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+ACN+H"	42.033826
"1196915"	220.365701	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+ACN+2H"	43.041102
"198899"	840.35176	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+2Na-H"	44.97116
"631169"	1238.04206	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+2Na-H"	44.97116
"1134670"	442.66146	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2Na-H"	44.97116
"175775"	420.679518	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+2Na"	45.978436
"617160"	619.524668	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+2Na"	45.978436
"1119206"	221.834368	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2Na"	45.978436
"1402008"	148.225337333333	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H+2Na"	46.985712
"1434124"	444.703046	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H+HCOOH"	47.012746
"231472"	425.71254	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+3H2O+2H"	56.04448
"1519535"	458.75509	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+IsoProp+H"	61.06479
"420313"	428.666488	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+Na+K"	61.952376
"781308"	627.511638	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+Na+K"	61.952376
"1676547"	229.821338	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Na+K"	61.952376
"263065"	859.396368	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+ACN+Na"	64.015768
"1234681"	461.706068	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+ACN+Na"	64.015768
"1719193"	461.729593	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+NH4+HCOOH"	64.039293
"1187824"	155.552651333333	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+3Na"	68.967654
"1659902"	466.684988	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Na+HCOOH"	68.994688
"165670"	872.29964	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+2K-H"	76.91904
"604137"	1269.98994	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+2K-H"	76.91904
"1096319"	474.60934	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2K-H"	76.91904
"154237"	436.653458	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"2M+2K"	77.926316
"595620"	635.498608	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"3M+2K"	77.926316
"1083984"	237.808308	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2K"	77.926316
"1110426"	476.623892	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2K+H"	78.933592
"1350333"	476.711507	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+DMSO+H"	79.021207
"1016433"	480.750676	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2ACN+H"	83.060376
"1538204"	481.744308	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+IsoProp+Na+H"	84.054008
"1003190"	240.878976	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+2ACN+2H"	84.067652
"1601704"	482.658928	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+K+HCOOH"	84.968628
"1425540"	512.690438	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+H+CF3COOH"	115.000138
"1158014"	261.392251	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+3ACN+2H"	125.094202
"1705378"	529.716985	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+NH4+CF3COOH"	132.026685
"1641031"	534.67238	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+Na+CF3COOH"	136.98208
"1573036"	550.64632	"C18647"	"Calcium arsenate"	"Ca3(AsO4)2"	"397.6903"	"M+K+CF3COOH"	152.95602
"808144"	347.8857	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M"	0
"979489"	328.86731	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-H2O-H"	-19.01839
"69917"	230.916524	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M-3H"	-3.021828
"508385"	346.878424	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M-3H"	-3.021828
"886187"	114.954624	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-3H"	-3.021828
"12424"	346.878424	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M-2H"	-2.014552
"450889"	520.821274	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M-2H"	-2.014552
"828696"	172.935574	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-2H"	-2.014552
"89780"	694.764124	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M-H"	-1.007276
"528246"	1042.649824	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M-H"	-1.007276
"902773"	346.878424	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-H"	-1.007276
"60186"	711.790671	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M-2H+NH4"	16.019271
"495614"	1059.676371	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M-2H+NH4"	16.019271
"875605"	363.904971	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-2H+NH4"	16.019271
"41317"	716.746066	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M-2H+Na"	20.974666
"479784"	1064.631766	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M-2H+Na"	20.974666
"856490"	368.860366	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-2H+Na"	20.974666
"1623835"	368.860366	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Na-2H"	20.974666
"99271"	364.866763	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M-H+Cl"	33.962126
"544302"	538.809613	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M-H+Cl"	33.962126
"941104"	190.923913	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-H+Cl"	33.962126
"282417"	730.740802	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+Cl"	34.969402
"673425"	1078.626502	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+Cl"	34.969402
"1288215"	382.855102	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Cl"	34.969402
"28871"	732.720006	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M-2H+K"	36.948606
"470250"	1080.605706	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M-2H+K"	36.948606
"843310"	384.834306	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-2H+K"	36.948606
"1568255"	384.834306	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+K-2H"	36.948606
"955043"	392.883894	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-H+HCOOH"	44.998194
"367060"	740.769601	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+HCOOH-H"	44.998201
"351313"	754.785251	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+Hac-H"	59.013851
"1504522"	406.899551	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Hac-H"	59.013851
"969877"	414.865851	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-H+NaCOOH"	66.980151
"120971"	382.855102	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+2Cl"	69.938804
"556157"	556.797952	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+2Cl"	69.938804
"1029329"	208.912252	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2Cl"	69.938804
"1250000"	426.804585	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Br"	78.918885
"1313542"	428.860572	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Cl+HCOOH"	80.974872
"1328851"	450.842529	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Cl+NaCOOH"	102.956829
"924283"	460.871286	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M-H+CF3COOH"	112.985586
"1292244"	496.847964	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Cl+CF3COOH"	148.962264
"1370406"	312.873024	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H-2H2O"	-35.012676
"1392279"	330.883	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H-H2O"	-17.0027
"285767"	696.778676	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+H"	1.007276
"684388"	1044.664376	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+H"	1.007276
"1363654"	348.892976	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H"	1.007276
"137999"	348.892976	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+2H"	2.014552
"576468"	522.835826	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+2H"	2.014552
"1043082"	174.950126	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2H"	2.014552
"208800"	232.931076	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+3H"	3.021828
"647271"	348.892976	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+3H"	3.021828
"1168677"	116.969176	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+3H"	3.021828
"429761"	713.805223	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+NH4"	18.033823
"791851"	1061.690923	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+NH4"	18.033823
"1690369"	365.919523	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+NH4"	18.033823
"335366"	357.4062495	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+H+NH4"	19.041099
"728876"	531.3490995	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+H+NH4"	19.041099
"1484895"	183.4633995	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H+NH4"	19.041099
"394464"	718.760618	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+Na"	22.989218
"755091"	1066.646318	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+Na"	22.989218
"1612671"	370.874918	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Na"	22.989218
"319427"	359.883947	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+H+Na"	23.996494
"719501"	533.826797	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+H+Na"	23.996494
"1472230"	185.941097	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H+Na"	23.996494
"1063289"	124.29649	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2H+Na"	25.00377
"1266059"	380.919186	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+CH3OH+H"	33.033486
"391197"	734.734558	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+K"	38.963158
"752194"	1082.620258	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+K"	38.963158
"1549876"	386.848858	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+K"	38.963158
"304862"	367.870917	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+H+K"	39.970434
"699471"	541.813767	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+H+K"	39.970434
"1450010"	193.928067	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H+K"	39.970434
"240798"	737.805226	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+ACN+H"	42.033826
"1213509"	389.919526	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+ACN+H"	42.033826
"1196296"	195.463401	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+ACN+2H"	43.041102
"192448"	740.74256	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+2Na-H"	44.97116
"630184"	1088.62826	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+2Na-H"	44.97116
"1132593"	392.85686	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2Na-H"	44.97116
"175521"	370.874918	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+2Na"	45.978436
"616178"	544.817768	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+2Na"	45.978436
"1117500"	196.932068	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2Na"	45.978436
"1402118"	131.623804	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H+2Na"	46.985712
"1435327"	394.898446	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H+HCOOH"	47.012746
"229394"	375.90794	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+3H2O+2H"	56.04448
"1520737"	408.95049	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+IsoProp+H"	61.06479
"419330"	378.861888	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+Na+K"	61.952376
"782512"	552.804738	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+Na+K"	61.952376
"1675564"	204.919038	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Na+K"	61.952376
"262082"	759.787168	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+ACN+Na"	64.015768
"1235884"	411.901468	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+ACN+Na"	64.015768
"1719302"	411.924993	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+NH4+HCOOH"	64.039293
"1184655"	138.951118	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+3Na"	68.967654
"1660012"	416.880388	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Na+HCOOH"	68.994688
"164686"	772.69044	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+2K-H"	76.91904
"601332"	1120.57614	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+2K-H"	76.91904
"1096429"	424.80474	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2K-H"	76.91904
"155440"	386.848858	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"2M+2K"	77.926316
"595730"	560.791708	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"3M+2K"	77.926316
"1083279"	212.906008	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2K"	77.926316
"1111628"	426.819292	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2K+H"	78.933592
"1349103"	426.906907	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+DMSO+H"	79.021207
"1018728"	430.946076	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2ACN+H"	83.060376
"1538193"	431.939708	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+IsoProp+Na+H"	84.054008
"1004394"	215.976676	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+2ACN+2H"	84.067652
"1597804"	432.854328	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+K+HCOOH"	84.968628
"1427837"	462.885838	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+H+CF3COOH"	115.000138
"1157031"	236.489951	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+3ACN+2H"	125.094202
"1705488"	479.912385	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+NH4+CF3COOH"	132.026685
"1641141"	484.86778	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+Na+CF3COOH"	136.98208
"1572782"	500.84172	"C18648"	"Lead arsenate;Lead hydrogen arsenate"	"PbHAsO4"	"347.8857"	"M+K+CF3COOH"	152.95602
"808254"	225.0823	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M"	0
"979599"	206.06391	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-H2O-H"	-19.01839
"70027"	149.047590666667	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M-3H"	-3.021828
"508495"	224.075024	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M-3H"	-3.021828
"884111"	74.0201573333333	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-3H"	-3.021828
"10347"	224.075024	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M-2H"	-2.014552
"452092"	336.616174	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M-2H"	-2.014552
"821146"	111.533874	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-2H"	-2.014552
"88797"	449.157324	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M-H"	-1.007276
"523982"	674.239624	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M-H"	-1.007276
"906164"	224.075024	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-H"	-1.007276
"59445"	466.183871	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M-2H+NH4"	16.019271
"494631"	691.266171	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M-2H+NH4"	16.019271
"874621"	241.101571	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-2H+NH4"	16.019271
"41427"	471.139266	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M-2H+Na"	20.974666
"479894"	696.221566	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M-2H+Na"	20.974666
"853320"	246.056966	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-2H+Na"	20.974666
"1627225"	246.056966	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Na-2H"	20.974666
"94682"	242.063363	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M-H+Cl"	33.962126
"537849"	354.604513	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M-H+Cl"	33.962126
"941580"	129.522213	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-H+Cl"	33.962126
"281231"	485.134002	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+Cl"	34.969402
"674380"	710.216302	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+Cl"	34.969402
"1287272"	260.051702	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Cl"	34.969402
"28616"	487.113206	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M-2H+K"	36.948606
"469266"	712.195506	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M-2H+K"	36.948606
"844149"	262.030906	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-2H+K"	36.948606
"1568366"	262.030906	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+K-2H"	36.948606
"952601"	270.080494	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-H+HCOOH"	44.998194
"366806"	495.162801	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+HCOOH-H"	44.998201
"353609"	509.178451	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+Hac-H"	59.013851
"1502445"	284.096151	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Hac-H"	59.013851
"968894"	292.062451	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-H+NaCOOH"	66.980151
"119988"	260.051702	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+2Cl"	69.938804
"556267"	372.592852	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+2Cl"	69.938804
"1031625"	147.510552	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2Cl"	69.938804
"1249017"	304.001185	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Br"	78.918885
"1312559"	306.057172	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Cl+HCOOH"	80.974872
"1325681"	328.039129	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Cl+NaCOOH"	102.956829
"922206"	338.067886	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M-H+CF3COOH"	112.985586
"1290168"	374.044564	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Cl+CF3COOH"	148.962264
"1369423"	190.069624	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H-2H2O"	-35.012676
"1392389"	208.0796	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H-H2O"	-17.0027
"285877"	451.171876	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+H"	1.007276
"684498"	676.254176	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+H"	1.007276
"1360847"	226.089576	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H"	1.007276
"131548"	226.089576	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+2H"	2.014552
"567824"	338.630726	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+2H"	2.014552
"1044650"	113.548426	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2H"	2.014552
"207087"	151.062142666667	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+3H"	3.021828
"650658"	226.089576	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+3H"	3.021828
"1168781"	76.0347093333333	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+3H"	3.021828
"426588"	468.198423	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+NH4"	18.033823
"793053"	693.280723	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+NH4"	18.033823
"1688291"	243.116123	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+NH4"	18.033823
"336566"	234.6028495	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+H+NH4"	19.041099
"727893"	347.1439995	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+H+NH4"	19.041099
"1485004"	122.0616995	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H+NH4"	19.041099
"394939"	473.153818	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+Na"	22.989218
"755203"	698.236118	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+Na"	22.989218
"1611688"	248.071518	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Na"	22.989218
"318444"	237.080547	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+H+Na"	23.996494
"718518"	349.621697	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+H+Na"	23.996494
"1473069"	124.539397	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H+Na"	23.996494
"1063399"	83.3620233333333	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2H+Na"	25.00377
"1265076"	258.115786	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+CH3OH+H"	33.033486
"390944"	489.127758	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+K"	38.963158
"751940"	714.210058	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+K"	38.963158
"1549984"	264.045458	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+K"	38.963158
"306066"	245.067517	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+H+K"	39.970434
"698487"	357.608667	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+H+K"	39.970434
"1453400"	132.526367	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H+K"	39.970434
"238721"	492.198426	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+ACN+H"	42.033826
"1213617"	267.116126	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+ACN+H"	42.033826
"1196770"	134.061701	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+ACN+2H"	43.041102
"192558"	495.13576	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+2Na-H"	44.97116
"630294"	720.21806	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+2Na-H"	44.97116
"1131973"	270.05346	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2Na-H"	44.97116
"173809"	248.071518	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+2Na"	45.978436
"617382"	360.612668	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+2Na"	45.978436
"1118702"	135.530368	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2Na"	45.978436
"1403321"	90.6893373333333	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H+2Na"	46.985712
"1435437"	272.095046	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H+HCOOH"	47.012746
"228046"	253.10454	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+3H2O+2H"	56.04448
"1514286"	286.14709	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+IsoProp+H"	61.06479
"415065"	256.058488	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+Na+K"	61.952376
"780436"	368.599638	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+Na+K"	61.952376
"1676403"	143.517338	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Na+K"	61.952376
"262192"	514.180368	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+ACN+Na"	64.015768
"1234901"	289.098068	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+ACN+Na"	64.015768
"1719412"	289.121593	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+NH4+HCOOH"	64.039293
"1185858"	98.0166513333333	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+3Na"	68.967654
"1659394"	294.076988	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Na+HCOOH"	68.994688
"162610"	527.08364	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+2K-H"	76.91904
"601078"	752.16594	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+2K-H"	76.91904
"1095445"	302.00134	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2K-H"	76.91904
"155550"	264.045458	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"2M+2K"	77.926316
"596776"	376.586608	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"3M+2K"	77.926316
"1082900"	151.504308	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2K"	77.926316
"1115141"	304.015892	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2K+H"	78.933592
"1349213"	304.103507	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+DMSO+H"	79.021207
"1017745"	308.142676	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2ACN+H"	83.060376
"1538058"	309.136308	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+IsoProp+Na+H"	84.054008
"1004504"	154.574976	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+2ACN+2H"	84.067652
"1599008"	310.050928	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+K+HCOOH"	84.968628
"1426853"	340.082438	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+H+CF3COOH"	115.000138
"1158234"	175.088251	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+3ACN+2H"	125.094202
"1705598"	357.108985	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+NH4+CF3COOH"	132.026685
"1641251"	362.06438	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+Na+CF3COOH"	136.98208
"1573621"	378.03832	"C18649"	"Ethiofencarb"	"C11H15NO2S"	"225.0823"	"M+K+CF3COOH"	152.95602
"808364"	382.1562	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M"	0
"978615"	363.13781	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-H2O-H"	-19.01839
"67951"	253.763524	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M-3H"	-3.021828
"508605"	381.148924	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M-3H"	-3.021828
"882032"	126.378124	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-3H"	-3.021828
"10457"	381.148924	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M-2H"	-2.014552
"447829"	572.227024	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M-2H"	-2.014552
"821620"	190.070824	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-2H"	-2.014552
"90001"	763.305124	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M-H"	-1.007276
"524092"	1145.461324	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M-H"	-1.007276
"907367"	381.148924	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-H"	-1.007276
"59555"	780.331671	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M-2H+NH4"	16.019271
"494741"	1162.487871	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M-2H+NH4"	16.019271
"875825"	398.175471	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-2H+NH4"	16.019271
"42630"	785.287066	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M-2H+Na"	20.974666
"480005"	1167.443266	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M-2H+Na"	20.974666
"853430"	403.130866	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-2H+Na"	20.974666
"1626242"	403.130866	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Na-2H"	20.974666
"97304"	399.137263	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M-H+Cl"	33.962126
"540146"	590.215363	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M-H+Cl"	33.962126
"935862"	208.059163	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-H+Cl"	33.962126
"278427"	799.281802	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+Cl"	34.969402
"673394"	1181.438002	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+Cl"	34.969402
"1286166"	417.125602	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Cl"	34.969402
"28361"	801.261006	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M-2H+K"	36.948606
"465731"	1183.417206	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M-2H+K"	36.948606
"842436"	419.104806	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-2H+K"	36.948606
"1563736"	419.104806	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+K-2H"	36.948606
"950525"	427.154394	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-H+HCOOH"	44.998194
"362905"	809.310601	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+HCOOH-H"	44.998201
"352626"	823.326251	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+Hac-H"	59.013851
"1503649"	441.170051	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Hac-H"	59.013851
"970097"	449.136351	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-H+NaCOOH"	66.980151
"122286"	417.125602	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+2Cl"	69.938804
"558565"	608.203702	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+2Cl"	69.938804
"1029550"	226.047502	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2Cl"	69.938804
"1248035"	461.075085	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Br"	78.918885
"1309389"	463.131072	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Cl+HCOOH"	80.974872
"1323604"	485.113029	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Cl+NaCOOH"	102.956829
"913569"	495.141786	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M-H+CF3COOH"	112.985586
"1288851"	531.118464	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Cl+CF3COOH"	148.962264
"1368315"	347.143524	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H-2H2O"	-35.012676
"1389218"	365.1535	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H-H2O"	-17.0027
"286716"	765.319676	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+H"	1.007276
"682421"	1147.475876	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+H"	1.007276
"1356583"	383.163476	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H"	1.007276
"128742"	383.163476	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+2H"	2.014552
"566270"	574.241576	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+2H"	2.014552
"1043304"	192.085376	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2H"	2.014552
"207198"	255.778076	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+3H"	3.021828
"654050"	383.163476	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+3H"	3.021828
"1168892"	128.392676	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+3H"	3.021828
"432166"	782.346223	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+NH4"	18.033823
"793163"	1164.502423	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+NH4"	18.033823
"1687308"	400.190023	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+NH4"	18.033823
"336676"	391.6767495	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+H+NH4"	19.041099
"730189"	582.7548495	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+H+NH4"	19.041099
"1487303"	200.5986495	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H+NH4"	19.041099
"398330"	787.301618	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+Na"	22.989218
"756044"	1169.457818	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+Na"	22.989218
"1611798"	405.145418	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Na"	22.989218
"318554"	394.154447	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+H+Na"	23.996494
"718628"	585.232547	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+H+Na"	23.996494
"1475124"	203.076347	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H+Na"	23.996494
"1065696"	135.71999	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2H+Na"	25.00377
"1266279"	415.189686	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+CH3OH+H"	33.033486
"389230"	803.275558	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+K"	38.963158
"751322"	1185.431758	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+K"	38.963158
"1549001"	421.119358	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+K"	38.963158
"306176"	402.141417	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+H+K"	39.970434
"698597"	593.219517	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+H+K"	39.970434
"1449135"	211.063317	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H+K"	39.970434
"243205"	806.346226	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+ACN+H"	42.033826
"1212998"	424.190026	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+ACN+H"	42.033826
"1198705"	212.598651	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+ACN+2H"	43.041102
"191577"	809.28356	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+2Na-H"	44.97116
"632593"	1191.43976	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+2Na-H"	44.97116
"1132815"	427.12736	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2Na-H"	44.97116
"173919"	405.145418	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+2Na"	45.978436
"616031"	596.223518	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+2Na"	45.978436
"1119906"	214.067318	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2Na"	45.978436
"1403431"	143.047304	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H+2Na"	46.985712
"1439557"	429.168946	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H+HCOOH"	47.012746
"227793"	410.17844	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+3H2O+2H"	56.04448
"1516948"	443.22099	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+IsoProp+H"	61.06479
"416998"	413.132388	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+Na+K"	61.952376
"781276"	604.210488	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+Na+K"	61.952376
"1677244"	222.054288	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Na+K"	61.952376
"262303"	828.328168	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+ACN+Na"	64.015768
"1235013"	446.171968	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+ACN+Na"	64.015768
"1719888"	446.195493	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+NH4+HCOOH"	64.039293
"1185240"	150.374618	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+3Na"	68.967654
"1656954"	451.150888	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Na+HCOOH"	68.994688
"161627"	841.23144	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+2K-H"	76.91904
"599244"	1223.38764	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+2K-H"	76.91904
"1093369"	459.07524	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2K-H"	76.91904
"156025"	421.119358	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"2M+2K"	77.926316
"595829"	612.197458	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"3M+2K"	77.926316
"1082647"	230.041258	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2K"	77.926316
"1111846"	461.089792	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2K+H"	78.933592
"1348230"	461.177407	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+DMSO+H"	79.021207
"1019680"	465.216576	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2ACN+H"	83.060376
"1537075"	466.210208	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+IsoProp+Na+H"	84.054008
"1002427"	233.111926	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+2ACN+2H"	84.067652
"1600211"	467.124828	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+K+HCOOH"	84.968628
"1426965"	497.156338	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+H+CF3COOH"	115.000138
"1161625"	253.625201	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+3ACN+2H"	125.094202
"1708988"	514.182885	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+NH4+CF3COOH"	132.026685
"1635528"	519.13828	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+Na+CF3COOH"	136.98208
"1573731"	535.11222	"C18650"	"Furathiocarb"	"C18H26N2O5S"	"382.1562"	"M+K+CF3COOH"	152.95602
"808474"	225.0823	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M"	0
"979818"	206.06391	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-H2O-H"	-19.01839
"69153"	149.047590666667	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M-3H"	-3.021828
"503608"	224.075024	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M-3H"	-3.021828
"884326"	74.0201573333333	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-3H"	-3.021828
"9473"	224.075024	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M-2H"	-2.014552
"444658"	336.616174	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M-2H"	-2.014552
"822458"	111.533874	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-2H"	-2.014552
"91204"	449.157324	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M-H"	-1.007276
"524202"	674.239624	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M-H"	-1.007276
"903102"	224.075024	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-H"	-1.007276
"55291"	466.183871	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M-2H+NH4"	16.019271
"495944"	691.266171	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M-2H+NH4"	16.019271
"876907"	241.101571	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-2H+NH4"	16.019271
"42740"	471.139266	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M-2H+Na"	20.974666
"481208"	696.221566	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M-2H+Na"	20.974666
"851353"	246.056966	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-2H+Na"	20.974666
"1625258"	246.056966	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Na-2H"	20.974666
"98507"	242.063363	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M-H+Cl"	33.962126
"539162"	354.604513	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M-H+Cl"	33.962126
"934879"	129.522213	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-H+Cl"	33.962126
"278537"	485.134002	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+Cl"	34.969402
"672410"	710.216302	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+Cl"	34.969402
"1284454"	260.051702	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Cl"	34.969402
"27378"	487.113206	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M-2H+K"	36.948606
"466934"	712.195506	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M-2H+K"	36.948606
"843639"	262.030906	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-2H+K"	36.948606
"1563846"	262.030906	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+K-2H"	36.948606
"950635"	270.080494	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-H+HCOOH"	44.998194
"364473"	495.162801	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+HCOOH-H"	44.998201
"353829"	509.178451	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+Hac-H"	59.013851
"1502666"	284.096151	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Hac-H"	59.013851
"968020"	292.062451	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-H+NaCOOH"	66.980151
"122392"	260.051702	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+2Cl"	69.938804
"557579"	372.592852	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+2Cl"	69.938804
"1027472"	147.510552	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2Cl"	69.938804
"1249238"	304.001185	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Br"	78.918885
"1309499"	306.057172	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Cl+HCOOH"	80.974872
"1324807"	328.039129	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Cl+NaCOOH"	102.956829
"913679"	338.067886	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M-H+CF3COOH"	112.985586
"1288804"	374.044564	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Cl+CF3COOH"	148.962264
"1368426"	190.069624	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H-2H2O"	-35.012676
"1388235"	208.0796	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H-H2O"	-17.0027
"287919"	451.171876	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+H"	1.007276
"682531"	676.254176	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+H"	1.007276
"1355599"	226.089576	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H"	1.007276
"130674"	226.089576	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+2H"	2.014552
"567314"	338.630726	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+2H"	2.014552
"1039765"	113.548426	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2H"	2.014552
"206942"	151.062142666667	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+3H"	3.021828
"649784"	226.089576	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+3H"	3.021828
"1166816"	76.0347093333333	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+3H"	3.021828
"432276"	468.198423	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+NH4"	18.033823
"796552"	693.280723	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+NH4"	18.033823
"1690697"	243.116123	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+NH4"	18.033823
"336786"	234.6028495	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+H+NH4"	19.041099
"729206"	347.1439995	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+H+NH4"	19.041099
"1487412"	122.0616995	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H+NH4"	19.041099
"406089"	473.153818	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+Na"	22.989218
"759434"	698.236118	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+Na"	22.989218
"1613001"	248.071518	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Na"	22.989218
"321944"	237.080547	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+H+Na"	23.996494
"718738"	349.621697	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+H+Na"	23.996494
"1471465"	124.539397	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H+Na"	23.996494
"1065806"	83.3620233333333	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2H+Na"	25.00377
"1269670"	258.115786	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+CH3OH+H"	33.033486
"389340"	489.127758	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+K"	38.963158
"749246"	714.210058	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+K"	38.963158
"1545831"	264.045458	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+K"	38.963158
"305193"	245.067517	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+H+K"	39.970434
"699801"	357.608667	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+H+K"	39.970434
"1449245"	132.526367	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H+K"	39.970434
"240035"	492.198426	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+ACN+H"	42.033826
"1212378"	267.116126	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+ACN+H"	42.033826
"1196630"	134.061701	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+ACN+2H"	43.041102
"193508"	495.13576	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+2Na-H"	44.97116
"631974"	720.21806	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+2Na-H"	44.97116
"1132922"	270.05346	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2Na-H"	44.97116
"174388"	248.071518	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+2Na"	45.978436
"614680"	360.612668	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+2Na"	45.978436
"1117099"	135.530368	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2Na"	45.978436
"1400622"	90.6893373333333	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H+2Na"	46.985712
"1432375"	272.095046	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H+HCOOH"	47.012746
"224257"	253.10454	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+3H2O+2H"	56.04448
"1513776"	286.14709	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+IsoProp+H"	61.06479
"414555"	256.058488	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+Na+K"	61.952376
"776282"	368.599638	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+Na+K"	61.952376
"1672610"	143.517338	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Na+K"	61.952376
"258402"	514.180368	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+ACN+Na"	64.015768
"1233664"	289.098068	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+ACN+Na"	64.015768
"1718537"	289.121593	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+NH4+HCOOH"	64.039293
"1184981"	98.0166513333333	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+3Na"	68.967654
"1653781"	294.076988	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Na+HCOOH"	68.994688
"162827"	527.08364	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+2K-H"	76.91904
"604571"	752.16594	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+2K-H"	76.91904
"1086911"	302.00134	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2K-H"	76.91904
"155044"	264.045458	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"2M+2K"	77.926316
"596627"	376.586608	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"3M+2K"	77.926316
"1077652"	151.504308	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2K"	77.926316
"1113660"	304.015892	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2K+H"	78.933592
"1347247"	304.103507	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+DMSO+H"	79.021207
"1020762"	308.142676	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2ACN+H"	83.060376
"1538036"	309.136308	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+IsoProp+Na+H"	84.054008
"1004361"	154.574976	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+2ACN+2H"	84.067652
"1600321"	310.050928	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+K+HCOOH"	84.968628
"1427075"	340.082438	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+H+CF3COOH"	115.000138
"1162228"	175.088251	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+3ACN+2H"	125.094202
"1709098"	357.108985	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+NH4+CF3COOH"	132.026685
"1636366"	362.06438	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+Na+CF3COOH"	136.98208
"1573112"	378.03832	"C18651"	"Methiocarb"	"C11H15NO2S"	"225.0823"	"M+K+CF3COOH"	152.95602
"814053"	218.1089	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M"	0
"988678"	199.09051	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-H2O-H"	-19.01839
"69265"	144.398657333333	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M-3H"	-3.021828
"514291"	217.101624	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M-3H"	-3.021828
"883344"	71.6956906666667	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-3H"	-3.021828
"7396"	217.101624	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M-2H"	-2.014552
"442581"	326.156074	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M-2H"	-2.014552
"819288"	108.047174	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-2H"	-2.014552
"89126"	435.210524	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M-H"	-1.007276
"530874"	653.319424	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M-H"	-1.007276
"910869"	217.101624	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-H"	-1.007276
"59774"	452.237071	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M-2H+NH4"	16.019271
"502008"	670.345971	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M-2H+NH4"	16.019271
"877746"	234.128171	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-2H+NH4"	16.019271
"45036"	457.192466	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M-2H+Na"	20.974666
"485691"	675.301366	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M-2H+Na"	20.974666
"853650"	239.083566	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-2H+Na"	20.974666
"1622088"	239.083566	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Na-2H"	20.974666
"98616"	235.089963	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M-H+Cl"	33.962126
"535993"	344.144413	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M-H+Cl"	33.962126
"940090"	126.035513	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-H+Cl"	33.962126
"277918"	471.187202	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+Cl"	34.969402
"670340"	689.296102	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+Cl"	34.969402
"1282015"	253.078302	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Cl"	34.969402
"28577"	473.166406	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M-2H+K"	36.948606
"468135"	691.275306	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M-2H+K"	36.948606
"842653"	255.057506	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-2H+K"	36.948606
"1561766"	255.057506	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+K-2H"	36.948606
"948556"	263.107094	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-H+HCOOH"	44.998194
"366772"	481.216001	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+HCOOH-H"	44.998201
"353939"	495.231651	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+Hac-H"	59.013851
"1504962"	277.122751	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Hac-H"	59.013851
"970315"	285.089051	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-H+NaCOOH"	66.980151
"120318"	253.078302	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+2Cl"	69.938804
"560972"	362.132752	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+2Cl"	69.938804
"1030862"	144.023852	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2Cl"	69.938804
"1253361"	297.027785	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Br"	78.918885
"1312890"	299.083772	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Cl+HCOOH"	80.974872
"1324918"	321.065729	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Cl+NaCOOH"	102.956829
"914517"	331.094486	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M-H+CF3COOH"	112.985586
"1288499"	367.071164	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Cl+CF3COOH"	148.962264
"1367929"	183.096224	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H-2H2O"	-35.012676
"1388345"	201.1062	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H-H2O"	-17.0027
"286207"	437.225076	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+H"	1.007276
"682641"	655.333976	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+H"	1.007276
"1353887"	219.116176	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H"	1.007276
"127865"	219.116176	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+2H"	2.014552
"566812"	328.170626	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+2H"	2.014552
"1039145"	110.061726	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2H"	2.014552
"209239"	146.413209333333	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+3H"	3.021828
"650988"	219.116176	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+3H"	3.021828
"1168019"	73.7102426666667	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+3H"	3.021828
"433480"	454.251623	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+NH4"	18.033823
"794476"	672.360523	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+NH4"	18.033823
"1689715"	236.142723	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+NH4"	18.033823
"336896"	227.6294495	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+H+NH4"	19.041099
"728222"	336.6838995	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+H+NH4"	19.041099
"1492182"	118.5749995	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H+NH4"	19.041099
"405838"	459.207018	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+Na"	22.989218
"759546"	677.315918	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+Na"	22.989218
"1613111"	241.098118	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Na"	22.989218
"324240"	230.107147	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+H+Na"	23.996494
"721402"	339.161597	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+H+Na"	23.996494
"1476971"	121.052697	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H+Na"	23.996494
"1068475"	81.0375566666667	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2H+Na"	25.00377
"1272699"	251.142386	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+CH3OH+H"	33.033486
"392740"	475.180958	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+K"	38.963158
"752637"	693.289858	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+K"	38.963158
"1551408"	257.072058	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+K"	38.963158
"306398"	238.094117	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+H+K"	39.970434
"706886"	347.148567	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+H+K"	39.970434
"1460293"	129.039667	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H+K"	39.970434
"246707"	478.251626	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+ACN+H"	42.033826
"1215043"	260.142726	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+ACN+H"	42.033826
"1201112"	130.575001	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+ACN+2H"	43.041102
"193983"	481.18896	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+2Na-H"	44.97116
"633544"	699.29786	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+2Na-H"	44.97116
"1131940"	263.08006	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2Na-H"	44.97116
"173165"	241.098118	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+2Na"	45.978436
"615160"	350.152568	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+2Na"	45.978436
"1119034"	132.043668	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2Na"	45.978436
"1399640"	88.3648706666667	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H+2Na"	46.985712
"1432486"	265.121646	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H+HCOOH"	47.012746
"225461"	246.13114	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+3H2O+2H"	56.04448
"1513522"	279.17369	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+IsoProp+H"	61.06479
"414302"	249.085088	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+Na+K"	61.952376
"777486"	358.139538	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+Na+K"	61.952376
"1673815"	140.030638	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Na+K"	61.952376
"259242"	500.233568	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+ACN+Na"	64.015768
"1234138"	282.124668	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+ACN+Na"	64.015768
"1717554"	282.148193	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+NH4+HCOOH"	64.039293
"1182905"	95.6921846666667	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+3Na"	68.967654
"1652796"	287.103588	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Na+HCOOH"	68.994688
"160749"	513.13684	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+2K-H"	76.91904
"602858"	731.24574	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+2K-H"	76.91904
"1086049"	295.02794	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2K-H"	76.91904
"156855"	257.072058	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"2M+2K"	77.926316
"595926"	366.126508	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"3M+2K"	77.926316
"1077762"	148.017608	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2K"	77.926316
"1114012"	297.042492	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2K+H"	78.933592
"1350522"	297.130107	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+DMSO+H"	79.021207
"1020629"	301.169276	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2ACN+H"	83.060376
"1538876"	302.162908	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+IsoProp+Na+H"	84.054008
"1005078"	151.088276	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+2ACN+2H"	84.067652
"1601525"	303.077528	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+K+HCOOH"	84.968628
"1426091"	333.109038	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+H+CF3COOH"	115.000138
"1158565"	171.601551	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+3ACN+2H"	125.094202
"1709208"	350.135585	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+NH4+CF3COOH"	132.026685
"1636476"	355.09098	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+Na+CF3COOH"	136.98208
"1573222"	371.06492	"C18652"	"Thiofanox"	"C9H18N2O2S"	"218.1089"	"M+K+CF3COOH"	152.95602
"808693"	198.0277	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M"	0
"987695"	179.00931	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-H2O-H"	-19.01839
"71562"	131.011190666667	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M-3H"	-3.021828
"510028"	197.020424	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M-3H"	-3.021828
"883454"	65.0019573333333	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-3H"	-3.021828
"8601"	197.020424	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M-2H"	-2.014552
"443786"	296.034274	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M-2H"	-2.014552
"817813"	98.006574	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-2H"	-2.014552
"91425"	395.048124	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M-H"	-1.007276
"530984"	593.075824	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M-H"	-1.007276
"909881"	197.020424	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-H"	-1.007276
"57697"	412.074671	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M-2H+NH4"	16.019271
"501630"	610.102371	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M-2H+NH4"	16.019271
"875061"	214.046971	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-2H+NH4"	16.019271
"44782"	417.030066	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M-2H+Na"	20.974666
"483615"	615.057766	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M-2H+Na"	20.974666
"860321"	219.002366	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-2H+Na"	20.974666
"1624386"	219.002366	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Na-2H"	20.974666
"96905"	215.008763	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M-H+Cl"	33.962126
"537194"	314.022613	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M-H+Cl"	33.962126
"941535"	115.994913	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-H+Cl"	33.962126
"280214"	431.024802	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+Cl"	34.969402
"674096"	629.052502	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+Cl"	34.969402
"1285770"	232.997102	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Cl"	34.969402
"30149"	433.004006	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M-2H+K"	36.948606
"468247"	631.031706	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M-2H+K"	36.948606
"843859"	234.976306	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-2H+K"	36.948606
"1562972"	234.976306	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+K-2H"	36.948606
"945384"	243.025894	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-H+HCOOH"	44.998194
"363600"	441.053601	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+HCOOH-H"	44.998201
"358422"	455.069251	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+Hac-H"	59.013851
"1505072"	257.041551	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Hac-H"	59.013851
"970427"	265.007851	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-H+NaCOOH"	66.980151
"119337"	232.997102	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+2Cl"	69.938804
"558896"	332.010952	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+2Cl"	69.938804
"1033160"	133.983252	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2Cl"	69.938804
"1253106"	276.946585	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Br"	78.918885
"1313000"	279.002572	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Cl+HCOOH"	80.974872
"1327215"	300.984529	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Cl+NaCOOH"	102.956829
"914627"	311.013286	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M-H+CF3COOH"	112.985586
"1289145"	346.989964	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Cl+CF3COOH"	148.962264
"1368403"	163.015024	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H-2H2O"	-35.012676
"1386632"	181.025	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H-H2O"	-17.0027
"284493"	397.062676	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+H"	1.007276
"680564"	595.090376	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+H"	1.007276
"1352902"	199.034976	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H"	1.007276
"126885"	199.034976	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+2H"	2.014552
"566439"	298.048826	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+2H"	2.014552
"1038039"	100.021126	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2H"	2.014552
"209350"	133.025742666667	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+3H"	3.021828
"650004"	199.034976	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+3H"	3.021828
"1163754"	67.0165093333333	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+3H"	3.021828
"432496"	414.089223	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+NH4"	18.033823
"794585"	612.116923	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+NH4"	18.033823
"1686540"	216.061523	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+NH4"	18.033823
"337006"	207.5482495	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+H+NH4"	19.041099
"725050"	306.5620995	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+H+NH4"	19.041099
"1487628"	108.5343995	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H+NH4"	19.041099
"408339"	419.044618	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+Na"	22.989218
"762936"	617.072318	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+Na"	22.989218
"1618312"	221.016918	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Na"	22.989218
"328361"	210.025947	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+H+Na"	23.996494
"722365"	309.039797	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+H+Na"	23.996494
"1476845"	111.012097	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H+Na"	23.996494
"1068301"	74.3438233333333	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2H+Na"	25.00377
"1272566"	231.061186	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+CH3OH+H"	33.033486
"392118"	435.018558	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+K"	38.963158
"753804"	633.046258	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+K"	38.963158
"1550425"	236.990858	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+K"	38.963158
"310882"	218.012917	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+H+K"	39.970434
"705858"	317.026767	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+H+K"	39.970434
"1460039"	118.999067	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H+K"	39.970434
"244631"	438.089226	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+ACN+H"	42.033826
"1211872"	240.061526	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+ACN+H"	42.033826
"1201222"	120.534401	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+ACN+2H"	43.041102
"195187"	441.02656	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+2Na-H"	44.97116
"635841"	639.05426	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+2Na-H"	44.97116
"1132901"	242.99886	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2Na-H"	44.97116
"173153"	221.016918	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+2Na"	45.978436
"613689"	320.030768	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+2Na"	45.978436
"1116346"	122.003068	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2Na"	45.978436
"1400481"	81.6711373333333	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H+2Na"	46.985712
"1434783"	245.040446	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H+HCOOH"	47.012746
"225571"	226.04994	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+3H2O+2H"	56.04448
"1508770"	259.09249	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+IsoProp+H"	61.06479
"409306"	229.003888	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+Na+K"	61.952376
"774315"	328.017738	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+Na+K"	61.952376
"1668457"	129.990038	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Na+K"	61.952376
"259352"	460.071168	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+ACN+Na"	64.015768
"1234249"	262.043468	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+ACN+Na"	64.015768
"1718758"	262.066993	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+NH4+HCOOH"	64.039293
"1183016"	88.9984513333333	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+3Na"	68.967654
"1653271"	267.022388	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Na+HCOOH"	68.994688
"160861"	472.97444	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+2K-H"	76.91904
"604790"	671.00214	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+2K-H"	76.91904
"1086766"	274.94674	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2K-H"	76.91904
"148332"	236.990858	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"2M+2K"	77.926316
"588984"	336.004708	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"3M+2K"	77.926316
"1077872"	137.977008	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2K"	77.926316
"1109987"	276.961292	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2K+H"	78.933592
"1350997"	277.048907	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+DMSO+H"	79.021207
"1021258"	281.088076	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2ACN+H"	83.060376
"1538376"	282.081708	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+IsoProp+Na+H"	84.054008
"1003849"	141.047676	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+2ACN+2H"	84.067652
"1602244"	282.996328	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+K+HCOOH"	84.968628
"1426201"	313.027838	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+H+CF3COOH"	115.000138
"1158675"	161.560951	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+3ACN+2H"	125.094202
"1709318"	330.054385	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+NH4+CF3COOH"	132.026685
"1635128"	335.00978	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+Na+CF3COOH"	136.98208
"1574061"	350.98372	"C18653"	"DNOC;46-Dinitro-o-cresol;24-Dinitro-6-methylphenol"	"C7H6N2O5"	"198.0277"	"M+K+CF3COOH"	152.95602
"812083"	357.9695	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M"	0
"982335"	338.95111	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-H2O-H"	-19.01839
"74952"	237.639057333333	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M-3H"	-3.021828
"511231"	356.962224	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M-3H"	-3.021828
"883564"	118.315890666667	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-3H"	-3.021828
"7610"	356.962224	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M-2H"	-2.014552
"443896"	535.946974	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M-2H"	-2.014552
"818049"	177.977474	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-2H"	-2.014552
"91535"	714.931724	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M-H"	-1.007276
"531094"	1072.901224	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M-H"	-1.007276
"905622"	356.962224	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-H"	-1.007276
"54530"	731.958271	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M-2H+NH4"	16.019271
"499193"	1089.927771	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M-2H+NH4"	16.019271
"874078"	373.988771	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-2H+NH4"	16.019271
"44171"	736.913666	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M-2H+Na"	20.974666
"481539"	1094.883166	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M-2H+Na"	20.974666
"859339"	378.944166	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-2H+Na"	20.974666
"1627779"	378.944166	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Na-2H"	20.974666
"101026"	374.950563	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M-H+Cl"	33.962126
"535484"	553.935313	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M-H+Cl"	33.962126
"941402"	195.965813	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-H+Cl"	33.962126
"281657"	750.908402	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+Cl"	34.969402
"672747"	1108.877902	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+Cl"	34.969402
"1287338"	392.938902	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Cl"	34.969402
"30502"	752.887606	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M-2H+K"	36.948606
"470421"	1110.857106	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M-2H+K"	36.948606
"840688"	394.918106	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-2H+K"	36.948606
"1563081"	394.918106	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+K-2H"	36.948606
"944398"	402.967694	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-H+HCOOH"	44.998194
"362979"	760.937201	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+HCOOH-H"	44.998201
"355252"	774.952851	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+Hac-H"	59.013851
"1504089"	416.983351	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Hac-H"	59.013851
"968354"	424.949651	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-H+NaCOOH"	66.980151
"118355"	392.938902	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+2Cl"	69.938804
"563017"	571.923652	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+2Cl"	69.938804
"1034364"	213.954152	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2Cl"	69.938804
"1252850"	436.888385	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Br"	78.918885
"1310923"	438.944372	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Cl+HCOOH"	80.974872
"1326231"	460.926329	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Cl+NaCOOH"	102.956829
"915466"	470.955086	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M-H+CF3COOH"	112.985586
"1289987"	506.931764	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Cl+CF3COOH"	148.962264
"1368878"	322.956824	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H-2H2O"	-35.012676
"1387471"	340.9668	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H-H2O"	-17.0027
"287154"	716.946276	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+H"	1.007276
"678487"	1074.915776	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+H"	1.007276
"1353743"	358.976776	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H"	1.007276
"127723"	358.976776	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+2H"	2.014552
"567641"	537.961526	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+2H"	2.014552
"1038510"	179.992026	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2H"	2.014552
"205446"	239.653609333333	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+3H"	3.021828
"645130"	358.976776	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+3H"	3.021828
"1163500"	120.330442666667	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+3H"	3.021828
"430420"	733.972823	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+NH4"	18.033823
"791415"	1091.942323	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+NH4"	18.033823
"1685920"	376.003323	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+NH4"	18.033823
"333836"	367.4900495	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+H+NH4"	19.041099
"723459"	546.4747995	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+H+NH4"	19.041099
"1489561"	188.5052995	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H+NH4"	19.041099
"406425"	738.928218	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+Na"	22.989218
"765233"	1096.897718	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+Na"	22.989218
"1614789"	380.958718	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Na"	22.989218
"328837"	369.967747	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+H+Na"	23.996494
"721744"	548.952497	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+H+Na"	23.996494
"1477020"	190.982997	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H+Na"	23.996494
"1067601"	127.657756666667	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2H+Na"	25.00377
"1272475"	391.002986	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+CH3OH+H"	33.033486
"392472"	754.902158	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+K"	38.963158
"754186"	1112.871658	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+K"	38.963158
"1552723"	396.932658	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+K"	38.963158
"311721"	377.954717	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+H+K"	39.970434
"705967"	556.939467	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+H+K"	39.970434
"1460636"	198.969967	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H+K"	39.970434
"245834"	757.972826	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+ACN+H"	42.033826
"1222915"	400.003326	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+ACN+H"	42.033826
"1201332"	200.505301	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+ACN+2H"	43.041102
"196389"	760.91016	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+2Na-H"	44.97116
"638138"	1118.87966	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+2Na-H"	44.97116
"1132647"	402.94066	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2Na-H"	44.97116
"174364"	380.958718	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+2Na"	45.978436
"613802"	559.943468	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+2Na"	45.978436
"1117189"	201.973968	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2Na"	45.978436
"1403871"	134.985070666667	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H+2Na"	46.985712
"1434893"	404.982246	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H+HCOOH"	47.012746
"226775"	385.99174	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+3H2O+2H"	56.04448
"1513742"	419.03429	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+IsoProp+H"	61.06479
"411242"	388.945688	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+Na+K"	61.952376
"777706"	567.930438	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+Na+K"	61.952376
"1672942"	209.960938	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Na+K"	61.952376
"259462"	779.954768	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+ACN+Na"	64.015768
"1233266"	421.985268	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+ACN+Na"	64.015768
"1715953"	422.008793	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+NH4+HCOOH"	64.039293
"1183126"	142.312384666667	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+3Na"	68.967654
"1654109"	426.964188	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Na+HCOOH"	68.994688
"161335"	792.85804	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+2K-H"	76.91904
"601987"	1150.82754	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+2K-H"	76.91904
"1086512"	434.88854	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2K-H"	76.91904
"150628"	396.932658	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"2M+2K"	77.926316
"589094"	575.917408	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"3M+2K"	77.926316
"1077982"	217.947908	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2K"	77.926316
"1107910"	436.903092	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2K+H"	78.933592
"1351025"	436.990707	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+DMSO+H"	79.021207
"1020483"	441.029876	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2ACN+H"	83.060376
"1538608"	442.023508	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+IsoProp+Na+H"	84.054008
"1005544"	221.018576	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+2ACN+2H"	84.067652
"1600650"	442.938128	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+K+HCOOH"	84.968628
"1428497"	472.969638	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+H+CF3COOH"	115.000138
"1158786"	241.531851	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+3ACN+2H"	125.094202
"1711615"	489.996185	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+NH4+CF3COOH"	132.026685
"1636333"	494.95158	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+Na+CF3COOH"	136.98208
"1575629"	510.92552	"C18654"	"Chlorfenvinphos"	"C12H14Cl3O4P"	"357.9695"	"M+K+CF3COOH"	152.95602
"808913"	230.02	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M"	0
"982445"	211.00161	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-H2O-H"	-19.01839
"66313"	152.339390666667	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M-3H"	-3.021828
"503685"	229.012724	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M-3H"	-3.021828
"882580"	75.6660573333333	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-3H"	-3.021828
"5534"	229.012724	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M-2H"	-2.014552
"449473"	344.022724	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M-2H"	-2.014552
"819617"	114.002724	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-2H"	-2.014552
"91284"	459.032724	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M-H"	-1.007276
"531571"	689.052724	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M-H"	-1.007276
"905005"	229.012724	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-H"	-1.007276
"54640"	476.059271	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M-2H+NH4"	16.019271
"498211"	706.079271	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M-2H+NH4"	16.019271
"875649"	246.039271	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-2H+NH4"	16.019271
"43187"	481.014666	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M-2H+Na"	20.974666
"484083"	711.034666	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M-2H+Na"	20.974666
"862365"	250.994666	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-2H+Na"	20.974666
"1632631"	250.994666	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Na-2H"	20.974666
"104416"	247.001063	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M-H+Cl"	33.962126
"538510"	362.011063	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M-H+Cl"	33.962126
"940418"	131.991063	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-H+Cl"	33.962126
"279339"	495.009402	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+Cl"	34.969402
"671035"	725.029402	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+Cl"	34.969402
"1282709"	264.989402	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Cl"	34.969402
"25994"	496.988606	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M-2H+K"	36.948606
"467372"	727.008606	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M-2H+K"	36.948606
"838611"	266.968606	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-2H+K"	36.948606
"1558815"	266.968606	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+K-2H"	36.948606
"943537"	275.018194	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-H+HCOOH"	44.998194
"361449"	505.038201	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+HCOOH-H"	44.998201
"353175"	519.053851	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+Hac-H"	59.013851
"1505658"	289.033851	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Hac-H"	59.013851
"970647"	297.000151	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-H+NaCOOH"	66.980151
"120650"	264.989402	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+2Cl"	69.938804
"560210"	379.999402	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+2Cl"	69.938804
"1033380"	149.979402	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2Cl"	69.938804
"1249679"	308.938885	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Br"	78.918885
"1312127"	310.994872	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Cl+HCOOH"	80.974872
"1326341"	332.976829	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Cl+NaCOOH"	102.956829
"913023"	343.005586	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M-H+CF3COOH"	112.985586
"1289731"	378.982264	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Cl+CF3COOH"	148.962264
"1368624"	195.007324	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H-2H2O"	-35.012676
"1384662"	213.0173	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H-H2O"	-17.0027
"283735"	461.047276	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+H"	1.007276
"676770"	691.067276	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+H"	1.007276
"1354217"	231.027276	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H"	1.007276
"128928"	231.027276	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+2H"	2.014552
"566781"	346.037276	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+2H"	2.014552
"1037892"	116.017276	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2H"	2.014552
"208472"	154.353942666667	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+3H"	3.021828
"647304"	231.027276	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+3H"	3.021828
"1165068"	77.6806093333333	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+3H"	3.021828
"430530"	478.073823	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+NH4"	18.033823
"791525"	708.093823	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+NH4"	18.033823
"1685666"	248.053823	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+NH4"	18.033823
"335039"	239.5405495	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+H+NH4"	19.041099
"724540"	354.5505495	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+H+NH4"	19.041099
"1488942"	124.5305495	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H+NH4"	19.041099
"407142"	483.029218	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+Na"	22.989218
"768260"	713.049218	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+Na"	22.989218
"1613806"	253.009218	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Na"	22.989218
"327122"	242.018247	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+H+Na"	23.996494
"720517"	357.028247	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+H+Na"	23.996494
"1476858"	127.008247	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H+Na"	23.996494
"1067545"	85.0079233333333	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2H+Na"	25.00377
"1271572"	263.053486	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+CH3OH+H"	33.033486
"392097"	499.003158	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+K"	38.963158
"753698"	729.023158	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+K"	38.963158
"1554171"	268.983158	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+K"	38.963158
"311467"	250.005217	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+H+K"	39.970434
"704984"	365.015217	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+H+K"	39.970434
"1458803"	134.995217	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H+K"	39.970434
"248134"	502.073826	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+ACN+H"	42.033826
"1223028"	272.053826	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+ACN+H"	42.033826
"1199255"	136.530551	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+ACN+2H"	43.041102
"198686"	505.01116	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+2Na-H"	44.97116
"638248"	735.03116	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+2Na-H"	44.97116
"1132275"	274.99116	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2Na-H"	44.97116
"172967"	253.009218	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+2Na"	45.978436
"613504"	368.019218	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+2Na"	45.978436
"1116205"	137.999218	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2Na"	45.978436
"1400701"	92.3352373333333	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H+2Na"	46.985712
"1436097"	277.032746	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H+HCOOH"	47.012746
"221417"	258.04224	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+3H2O+2H"	56.04448
"1512759"	291.08479	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+IsoProp+H"	61.06479
"414632"	260.996188	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+Na+K"	61.952376
"776721"	376.006188	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+Na+K"	61.952376
"1673052"	145.986188	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Na+K"	61.952376
"255196"	524.055768	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+ACN+Na"	64.015768
"1231187"	294.035768	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+ACN+Na"	64.015768
"1718974"	294.059293	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+NH4+HCOOH"	64.039293
"1183235"	99.6625513333333	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+3Na"	68.967654
"1654582"	299.014688	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Na+HCOOH"	68.994688
"161444"	536.95904	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+2K-H"	76.91904
"601731"	766.97904	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+2K-H"	76.91904
"1086258"	306.93904	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2K-H"	76.91904
"148551"	268.983158	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"2M+2K"	77.926316
"589204"	383.993158	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"3M+2K"	77.926316
"1079185"	153.973158	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2K"	77.926316
"1109113"	308.953592	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2K+H"	78.933592
"1350849"	309.041207	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+DMSO+H"	79.021207
"1019865"	313.080376	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2ACN+H"	83.060376
"1539449"	314.074008	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+IsoProp+Na+H"	84.054008
"1003949"	157.043826	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+2ACN+2H"	84.067652
"1600760"	314.988628	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+K+HCOOH"	84.968628
"1428607"	345.020138	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+H+CF3COOH"	115.000138
"1162176"	177.557101	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+3ACN+2H"	125.094202
"1710632"	362.046685	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+NH4+CF3COOH"	132.026685
"1636443"	367.00208	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+Na+CF3COOH"	136.98208
"1575375"	382.97602	"C18655"	"Demeton-S-methyl"	"C6H15O3PS2"	"230.02"	"M+K+CF3COOH"	152.95602
"812303"	237.0766	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M"	0
"982555"	218.05821	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-H2O-H"	-19.01839
"66423"	157.043790666667	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M-3H"	-3.021828
"504159"	236.069324	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M-3H"	-3.021828
"881597"	78.0182573333333	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-3H"	-3.021828
"3456"	236.069324	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M-2H"	-2.014552
"450676"	354.607624	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M-2H"	-2.014552
"820454"	117.531024	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-2H"	-2.014552
"92124"	473.145924	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M-H"	-1.007276
"532046"	710.222524	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M-H"	-1.007276
"906936"	236.069324	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-H"	-1.007276
"56937"	490.172471	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M-2H+NH4"	16.019271
"495404"	727.249071	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M-2H+NH4"	16.019271
"875393"	253.095871	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-2H+NH4"	16.019271
"38920"	495.127866	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M-2H+Na"	20.974666
"481759"	732.204466	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M-2H+Na"	20.974666
"862722"	258.051266	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-2H+Na"	20.974666
"1633468"	258.051266	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Na-2H"	20.974666
"104526"	254.057663	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M-H+Cl"	33.962126
"535704"	372.595963	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M-H+Cl"	33.962126
"939431"	135.519363	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-H+Cl"	33.962126
"279449"	509.122602	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+Cl"	34.969402
"672598"	746.199202	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+Cl"	34.969402
"1284640"	272.046002	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Cl"	34.969402
"26467"	511.101806	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M-2H+K"	36.948606
"464202"	748.178406	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M-2H+K"	36.948606
"839813"	274.025206	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-2H+K"	36.948606
"1560018"	274.025206	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+K-2H"	36.948606
"944617"	282.074794	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-H+HCOOH"	44.998194
"362466"	519.151401	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+HCOOH-H"	44.998201
"354378"	533.167051	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+Hac-H"	59.013851
"1506496"	296.090451	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Hac-H"	59.013851
"969663"	304.056751	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-H+NaCOOH"	66.980151
"121489"	272.046002	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+2Cl"	69.938804
"561414"	390.584302	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+2Cl"	69.938804
"1033490"	153.507702	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2Cl"	69.938804
"1247602"	315.995485	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Br"	78.918885
"1313330"	318.051472	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Cl+HCOOH"	80.974872
"1324263"	340.033429	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Cl+NaCOOH"	102.956829
"913498"	350.062186	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M-H+CF3COOH"	112.985586
"1288744"	386.038864	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Cl+CF3COOH"	148.962264
"1369827"	202.063924	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H-2H2O"	-35.012676
"1383677"	220.0739	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H-H2O"	-17.0027
"284090"	475.160476	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+H"	1.007276
"677242"	712.237076	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+H"	1.007276
"1354691"	238.083876	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H"	1.007276
"129402"	238.083876	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+2H"	2.014552
"565810"	356.622176	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+2H"	2.014552
"1038366"	119.545576	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2H"	2.014552
"205539"	159.058342666667	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+3H"	3.021828
"645591"	238.083876	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+3H"	3.021828
"1164202"	80.0328093333333	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+3H"	3.021828
"431731"	492.187023	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+NH4"	18.033823
"793820"	729.263623	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+NH4"	18.033823
"1686869"	255.110423	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+NH4"	18.033823
"336242"	246.5971495	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+H+NH4"	19.041099
"725380"	365.1354495	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+H+NH4"	19.041099
"1487958"	128.0588495	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H+NH4"	19.041099
"407615"	497.142418	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+Na"	22.989218
"769348"	734.219018	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+Na"	22.989218
"1617931"	260.065818	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Na"	22.989218
"328449"	249.074847	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+H+Na"	23.996494
"722214"	367.613147	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+H+Na"	23.996494
"1476040"	130.536547	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H+Na"	23.996494
"1066720"	87.3601233333333	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2H+Na"	25.00377
"1272049"	270.110086	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+CH3OH+H"	33.033486
"391963"	513.116358	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+K"	38.963158
"752957"	750.192958	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+K"	38.963158
"1554402"	276.039758	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+K"	38.963158
"313036"	257.061817	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+H+K"	39.970434
"705706"	375.600117	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+H+K"	39.970434
"1459885"	138.523517	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H+K"	39.970434
"247148"	516.187026	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+ACN+H"	42.033826
"1223866"	279.110426	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+ACN+H"	42.033826
"1200459"	140.058851	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+ACN+2H"	43.041102
"198797"	519.12436	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+2Na-H"	44.97116
"638358"	756.20096	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+2Na-H"	44.97116
"1132385"	282.04776	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2Na-H"	44.97116
"172997"	260.065818	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+2Na"	45.978436
"612923"	378.604118	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+2Na"	45.978436
"1117287"	141.527518	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2Na"	45.978436
"1402998"	94.6874373333333	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H+2Na"	46.985712
"1439487"	284.089346	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H+HCOOH"	47.012746
"224808"	265.09884	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+3H2O+2H"	56.04448
"1515056"	298.14139	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+IsoProp+H"	61.06479
"416929"	268.052788	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+Na+K"	61.952376
"775738"	386.591088	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+Na+K"	61.952376
"1672069"	149.514488	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Na+K"	61.952376
"257492"	538.168968	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+ACN+Na"	64.015768
"1229111"	301.092368	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+ACN+Na"	64.015768
"1716898"	301.115893	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+NH4+HCOOH"	64.039293
"1183346"	102.014751333333	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+3Na"	68.967654
"1654329"	306.071288	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Na+HCOOH"	68.994688
"159005"	551.07224	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+2K-H"	76.91904
"598927"	788.14884	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+2K-H"	76.91904
"1085275"	313.99564	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2K-H"	76.91904
"154855"	276.039758	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"2M+2K"	77.926316
"594779"	394.578058	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"3M+2K"	77.926316
"1081481"	157.501458	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2K"	77.926316
"1114204"	316.010192	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2K+H"	78.933592
"1348890"	316.097807	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+DMSO+H"	79.021207
"1020580"	320.136976	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2ACN+H"	83.060376
"1539639"	321.130608	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+IsoProp+Na+H"	84.054008
"1001992"	160.572126	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+2ACN+2H"	84.067652
"1600870"	322.045228	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+K+HCOOH"	84.968628
"1428717"	352.076738	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+H+CF3COOH"	115.000138
"1162286"	181.085401	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+3ACN+2H"	125.094202
"1710742"	369.103285	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+NH4+CF3COOH"	132.026685
"1636553"	374.05868	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+Na+CF3COOH"	136.98208
"1576578"	390.03262	"C18656"	"Dicrotophos"	"C8H16NO5P"	"237.0766"	"M+K+CF3COOH"	152.95602
"809133"	313.065	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M"	0
"982665"	294.04661	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-H2O-H"	-19.01839
"66533"	207.702724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M-3H"	-3.021828
"504998"	312.057724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M-3H"	-3.021828
"882071"	103.347724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-3H"	-3.021828
"1744"	312.057724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M-2H"	-2.014552
"451880"	468.590224	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M-2H"	-2.014552
"822025"	155.525224	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-2H"	-2.014552
"91142"	625.122724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M-H"	-1.007276
"532278"	938.187724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M-H"	-1.007276
"908864"	312.057724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-H"	-1.007276
"59232"	642.149271	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M-2H+NH4"	16.019271
"498794"	955.214271	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M-2H+NH4"	16.019271
"875139"	329.084271	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-2H+NH4"	16.019271
"36843"	647.104666	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M-2H+Na"	20.974666
"484057"	960.169666	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M-2H+Na"	20.974666
"862588"	334.039666	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-2H+Na"	20.974666
"1633455"	334.039666	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Na-2H"	20.974666
"107552"	330.046063	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M-H+Cl"	33.962126
"542010"	486.578563	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M-H+Cl"	33.962126
"935527"	173.513563	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-H+Cl"	33.962126
"276273"	661.099402	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+Cl"	34.969402
"669789"	974.164402	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+Cl"	34.969402
"1280007"	348.034402	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Cl"	34.969402
"25843"	663.078606	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M-2H+K"	36.948606
"465403"	976.143606	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M-2H+K"	36.948606
"839921"	350.013606	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-2H+K"	36.948606
"1560128"	350.013606	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+K-2H"	36.948606
"946551"	358.063194	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-H+HCOOH"	44.998194
"363306"	671.128201	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+HCOOH-H"	44.998201
"355581"	685.143851	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+Hac-H"	59.013851
"1496761"	372.078851	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Hac-H"	59.013851
"964301"	380.045151	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-H+NaCOOH"	66.980151
"116491"	348.034402	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+2Cl"	69.938804
"554229"	504.566902	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+2Cl"	69.938804
"1029223"	191.501902	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2Cl"	69.938804
"1248804"	391.983885	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Br"	78.918885
"1308334"	394.039872	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Cl+HCOOH"	80.974872
"1322914"	416.021829	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Cl+NaCOOH"	102.956829
"913244"	426.050586	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M-H+CF3COOH"	112.985586
"1289217"	462.027264	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Cl+CF3COOH"	148.962264
"1371030"	278.052324	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H-2H2O"	-35.012676
"1384152"	296.0623	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H-H2O"	-17.0027
"284684"	627.137276	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+H"	1.007276
"677352"	940.202276	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+H"	1.007276
"1352246"	314.072276	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H"	1.007276
"126595"	314.072276	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+2H"	2.014552
"566879"	470.604776	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+2H"	2.014552
"1038233"	157.539776	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2H"	2.014552
"205524"	209.717276	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+3H"	3.021828
"644724"	314.072276	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+3H"	3.021828
"1165278"	105.362276	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+3H"	3.021828
"427092"	644.163823	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+NH4"	18.033823
"787724"	957.228823	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+NH4"	18.033823
"1682963"	331.098823	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+NH4"	18.033823
"337443"	322.5855495	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+H+NH4"	19.041099
"724760"	479.1180495	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+H+NH4"	19.041099
"1478334"	166.0530495	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H+NH4"	19.041099
"393323"	649.119218	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+Na"	22.989218
"768838"	962.184218	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+Na"	22.989218
"1615841"	336.054218	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Na"	22.989218
"328066"	325.063247	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+H+Na"	23.996494
"719391"	481.595747	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+H+Na"	23.996494
"1474308"	168.530747	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H+Na"	23.996494
"1067312"	112.68959	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2H+Na"	25.00377
"1271059"	346.098486	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+CH3OH+H"	33.033486
"391822"	665.093158	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+K"	38.963158
"752817"	978.158158	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+K"	38.963158
"1554510"	352.028158	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+K"	38.963158
"312414"	333.050217	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+H+K"	39.970434
"705929"	489.582717	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+H+K"	39.970434
"1459023"	176.517717	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H+K"	39.970434
"246162"	668.163826	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+ACN+H"	42.033826
"1221059"	355.098826	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+ACN+H"	42.033826
"1202754"	178.053051	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+ACN+2H"	43.041102
"193440"	671.10116	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+2Na-H"	44.97116
"634093"	984.16616	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+2Na-H"	44.97116
"1133344"	358.03616	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2Na-H"	44.97116
"174569"	336.054218	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+2Na"	45.978436
"613158"	492.586718	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+2Na"	45.978436
"1120674"	179.521718	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2Na"	45.978436
"1400917"	120.016904	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H+2Na"	46.985712
"1435221"	360.077746	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H+HCOOH"	47.012746
"222730"	341.08724	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+3H2O+2H"	56.04448
"1509696"	374.12979	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+IsoProp+H"	61.06479
"411571"	344.041188	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+Na+K"	61.952376
"773659"	500.573688	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+Na+K"	61.952376
"1668893"	187.508688	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Na+K"	61.952376
"257601"	690.145768	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+ACN+Na"	64.015768
"1232495"	377.080768	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+ACN+Na"	64.015768
"1716277"	377.104293	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+NH4+HCOOH"	64.039293
"1183456"	127.344218	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+3Na"	68.967654
"1653710"	382.059688	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Na+HCOOH"	68.994688
"159118"	703.04904	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+2K-H"	76.91904
"597820"	1016.11404	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+2K-H"	76.91904
"1087935"	389.98404	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2K-H"	76.91904
"149864"	352.028158	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"2M+2K"	77.926316
"590515"	508.560658	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"3M+2K"	77.926316
"1079404"	195.495658	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2K"	77.926316
"1110424"	391.998592	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2K+H"	78.933592
"1349852"	392.086207	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+DMSO+H"	79.021207
"1019717"	396.125376	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2ACN+H"	83.060376
"1535655"	397.119008	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+IsoProp+Na+H"	84.054008
"997728"	198.566326	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+2ACN+2H"	84.067652
"1599886"	398.033628	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+K+HCOOH"	84.968628
"1426640"	428.065138	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+H+CF3COOH"	115.000138
"1159115"	219.079601	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+3ACN+2H"	125.094202
"1708665"	445.091685	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+NH4+CF3COOH"	132.026685
"1638850"	450.04708	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+Na+CF3COOH"	136.98208
"1576688"	466.02102	"C18657"	"Triazophos"	"C12H16N3O3PS"	"313.065"	"M+K+CF3COOH"	152.95602
"801825"	325.0208	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M"	0
"974283"	306.00241	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-H2O-H"	-19.01839
"66643"	215.673257333333	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M-3H"	-3.021828
"505229"	324.013524	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M-3H"	-3.021828
"881209"	107.332990666667	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-3H"	-3.021828
"1608"	324.013524	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M-2H"	-2.014552
"451990"	486.523924	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M-2H"	-2.014552
"819583"	161.503124	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-2H"	-2.014552
"91980"	649.034324	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M-H"	-1.007276
"533479"	974.055124	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M-H"	-1.007276
"907154"	324.013524	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-H"	-1.007276
"58251"	666.060871	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M-2H+NH4"	16.019271
"497813"	991.081671	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M-2H+NH4"	16.019271
"876707"	341.040071	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-2H+NH4"	16.019271
"34887"	671.016266	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M-2H+Na"	20.974666
"483074"	996.037066	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M-2H+Na"	20.974666
"860875"	345.995466	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-2H+Na"	20.974666
"1633690"	345.995466	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Na-2H"	20.974666
"102560"	342.001863	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M-H+Cl"	33.962126
"538840"	504.512263	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M-H+Cl"	33.962126
"930173"	179.491463	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-H+Cl"	33.962126
"279665"	685.011002	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+Cl"	34.969402
"669899"	1010.031802	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+Cl"	34.969402
"1280118"	359.990202	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Cl"	34.969402
"24861"	686.990206	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M-2H+K"	36.948606
"464420"	1012.011006	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M-2H+K"	36.948606
"836751"	361.969406	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-2H+K"	36.948606
"1559143"	361.969406	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+K-2H"	36.948606
"943501"	370.018994	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-H+HCOOH"	44.998194
"361544"	695.039801	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+HCOOH-H"	44.998201
"352410"	709.055451	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+Hac-H"	59.013851
"1497965"	384.034651	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Hac-H"	59.013851
"963684"	392.000951	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-H+NaCOOH"	66.980151
"114051"	359.990202	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+2Cl"	69.938804
"557256"	522.500602	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+2Cl"	69.938804
"1026052"	197.479802	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2Cl"	69.938804
"1245632"	403.939685	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Br"	78.918885
"1306986"	405.995672	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Cl+HCOOH"	80.974872
"1320472"	427.977629	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Cl+NaCOOH"	102.956829
"911644"	438.006386	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M-H+CF3COOH"	112.985586
"1288834"	473.983064	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Cl+CF3COOH"	148.962264
"1367731"	290.008124	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H-2H2O"	-35.012676
"1384261"	308.0181	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H-H2O"	-17.0027
"283215"	651.048876	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+H"	1.007276
"676732"	976.069676	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+H"	1.007276
"1352720"	326.028076	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H"	1.007276
"127069"	326.028076	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+2H"	2.014552
"566625"	488.538476	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+2H"	2.014552
"1038219"	163.517676	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2H"	2.014552
"204905"	217.687809333333	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+3H"	3.021828
"646535"	326.028076	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+3H"	3.021828
"1163565"	109.347542666667	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+3H"	3.021828
"424895"	668.075423	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+NH4"	18.033823
"787104"	993.096223	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+NH4"	18.033823
"1682100"	343.054623	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+NH4"	18.033823
"333180"	334.5413495	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+H+NH4"	19.041099
"722862"	497.0517495	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+H+NH4"	19.041099
"1477176"	172.0309495	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H+NH4"	19.041099
"392956"	673.030818	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+Na"	22.989218
"765667"	998.051618	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+Na"	22.989218
"1612670"	348.010018	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Na"	22.989218
"328176"	337.019047	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+H+Na"	23.996494
"718409"	499.529447	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+H+Na"	23.996494
"1471138"	174.508647	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H+Na"	23.996494
"1065478"	116.674856666667	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2H+Na"	25.00377
"1271533"	358.054286	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+CH3OH+H"	33.033486
"391931"	689.004758	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+K"	38.963158
"753290"	1014.025558	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+K"	38.963158
"1550973"	363.983958	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+K"	38.963158
"312519"	345.006017	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+H+K"	39.970434
"706036"	507.516417	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+H+K"	39.970434
"1459861"	182.495617	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H+K"	39.970434
"245178"	692.075426	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+ACN+H"	42.033826
"1218982"	367.054626	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+ACN+H"	42.033826
"1202864"	184.030951	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+ACN+2H"	43.041102
"195737"	695.01276	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+2Na-H"	44.97116
"634202"	1020.03356	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+2Na-H"	44.97116
"1133089"	369.99196	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2Na-H"	44.97116
"175653"	348.010018	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+2Na"	45.978436
"616185"	510.520418	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+2Na"	45.978436
"1119692"	185.499618	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2Na"	45.978436
"1399445"	124.002170666667	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H+2Na"	46.985712
"1433145"	372.033546	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H+HCOOH"	47.012746
"223204"	353.04304	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+3H2O+2H"	56.04448
"1509684"	386.08559	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+IsoProp+H"	61.06479
"410587"	355.996988	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+Na+K"	61.952376
"774862"	518.507388	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+Na+K"	61.952376
"1669003"	193.486588	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Na+K"	61.952376
"255523"	714.057368	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+ACN+Na"	64.015768
"1230418"	389.036568	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+ACN+Na"	64.015768
"1716023"	389.060093	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+NH4+HCOOH"	64.039293
"1182470"	131.329484666667	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+3Na"	68.967654
"1652362"	394.015488	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Na+HCOOH"	68.994688
"158008"	726.96064	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+2K-H"	76.91904
"597566"	1051.98144	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+2K-H"	76.91904
"1089138"	401.93984	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2K-H"	76.91904
"152160"	363.983958	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"2M+2K"	77.926316
"590625"	526.494358	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"3M+2K"	77.926316
"1080606"	201.473558	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2K"	77.926316
"1111627"	403.954392	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2K+H"	78.933592
"1343642"	404.042007	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+DMSO+H"	79.021207
"1019706"	408.081176	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2ACN+H"	83.060376
"1532485"	409.074808	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+IsoProp+Na+H"	84.054008
"1000024"	204.544226	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+2ACN+2H"	84.067652
"1598903"	409.989428	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+K+HCOOH"	84.968628
"1426750"	440.020938	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+H+CF3COOH"	115.000138
"1158131"	225.057501	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+3ACN+2H"	125.094202
"1709868"	457.047485	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+NH4+CF3COOH"	132.026685
"1638960"	462.00288	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+Na+CF3COOH"	136.98208
"1576798"	477.97682	"C18658"	"Famphur;Famophos"	"C10H16NO5PS2"	"325.0208"	"M+K+CF3COOH"	152.95602
"801389"	303.1058	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M"	0
"974328"	284.08741	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-H2O-H"	-19.01839
"66753"	201.063257333333	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M-3H"	-3.021828
"504246"	302.098524	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M-3H"	-3.021828
"884114"	100.027990666667	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-3H"	-3.021828
"11"	302.098524	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M-2H"	-2.014552
"442254"	453.651424	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M-2H"	-2.014552
"818965"	150.545624	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-2H"	-2.014552
"90990"	605.204324	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M-H"	-1.007276
"533710"	908.310124	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M-H"	-1.007276
"908357"	302.098524	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-H"	-1.007276
"60547"	622.230871	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M-2H+NH4"	16.019271
"498653"	925.336671	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M-2H+NH4"	16.019271
"877791"	319.125071	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-2H+NH4"	16.019271
"37064"	627.186266	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M-2H+Na"	20.974666
"484278"	930.292066	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M-2H+Na"	20.974666
"862807"	324.080466	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-2H+Na"	20.974666
"1633678"	324.080466	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Na-2H"	20.974666
"104856"	320.086863	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M-H+Cl"	33.962126
"538950"	471.639763	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M-H+Cl"	33.962126
"935749"	168.533963	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-H+Cl"	33.962126
"269201"	641.181002	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+Cl"	34.969402
"671103"	944.286802	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+Cl"	34.969402
"1284599"	338.075202	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Cl"	34.969402
"23874"	643.160206	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M-2H+K"	36.948606
"462339"	946.266006	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M-2H+K"	36.948606
"836861"	340.054406	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-2H+K"	36.948606
"1557551"	340.054406	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+K-2H"	36.948606
"943490"	348.103994	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-H+HCOOH"	44.998194
"361628"	651.209801	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+HCOOH-H"	44.998201
"350332"	665.225451	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+Hac-H"	59.013851
"1503542"	362.119651	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Hac-H"	59.013851
"964158"	370.085951	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-H+NaCOOH"	66.980151
"116713"	338.075202	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+2Cl"	69.938804
"556637"	489.628102	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+2Cl"	69.938804
"1029444"	186.522302	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2Cl"	69.938804
"1245742"	382.024685	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Br"	78.918885
"1308555"	384.080672	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Cl+HCOOH"	80.974872
"1324228"	406.062629	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Cl+NaCOOH"	102.956829
"911368"	416.091386	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M-H+CF3COOH"	112.985586
"1288828"	452.068064	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Cl+CF3COOH"	148.962264
"1367598"	268.093124	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H-2H2O"	-35.012676
"1384007"	286.1031	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H-H2O"	-17.0027
"282960"	607.218876	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+H"	1.007276
"675729"	910.324676	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+H"	1.007276
"1353196"	304.113076	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H"	1.007276
"127909"	304.113076	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+2H"	2.014552
"566005"	455.665976	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+2H"	2.014552
"1037721"	152.560176	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2H"	2.014552
"205745"	203.077809333333	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+3H"	3.021828
"645551"	304.113076	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+3H"	3.021828
"1164042"	102.042542666667	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+3H"	3.021828
"424268"	624.245423	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+NH4"	18.033823
"786487"	927.351223	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+NH4"	18.033823
"1681440"	321.139623	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+NH4"	18.033823
"335477"	312.6263495	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+H+NH4"	19.041099
"722910"	464.1792495	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+H+NH4"	19.041099
"1477045"	161.0734495	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H+NH4"	19.041099
"393018"	629.200818	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+Na"	22.989218
"765777"	932.306618	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+Na"	22.989218
"1612780"	326.095018	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Na"	22.989218
"328165"	315.104047	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+H+Na"	23.996494
"720100"	466.656947	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+H+Na"	23.996494
"1473434"	163.551147	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H+Na"	23.996494
"1065589"	109.369856666667	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2H+Na"	25.00377
"1272008"	336.139286	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+CH3OH+H"	33.033486
"392041"	645.174758	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+K"	38.963158
"753036"	948.280558	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+K"	38.963158
"1549986"	342.068958	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+K"	38.963158
"311536"	323.091017	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+H+K"	39.970434
"706146"	474.643917	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+H+K"	39.970434
"1458874"	171.538117	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H+K"	39.970434
"247474"	648.245426	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+ACN+H"	42.033826
"1222370"	345.139626	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+ACN+H"	42.033826
"1206254"	173.073451	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+ACN+2H"	43.041102
"199129"	651.18276	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+2Na-H"	44.97116
"635406"	954.28856	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+2Na-H"	44.97116
"1134537"	348.07696	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2Na-H"	44.97116
"182202"	326.095018	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+2Na"	45.978436
"613621"	477.647918	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+2Na"	45.978436
"1121989"	174.542118	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2Na"	45.978436
"1399313"	116.697170666667	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H+2Na"	46.985712
"1431310"	350.118546	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H+HCOOH"	47.012746
"221246"	331.12804	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+3H2O+2H"	56.04448
"1509188"	364.17059	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+IsoProp+H"	61.06479
"411790"	334.081988	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+Na+K"	61.952376
"772785"	485.634888	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+Na+K"	61.952376
"1667290"	182.529088	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Na+K"	61.952376
"255633"	670.227368	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+ACN+Na"	64.015768
"1231981"	367.121568	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+ACN+Na"	64.015768
"1716132"	367.145093	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+NH4+HCOOH"	64.039293
"1182578"	124.024484666667	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+3Na"	68.967654
"1653930"	372.100488	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Na+HCOOH"	68.994688
"158244"	683.13064	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+2K-H"	76.91904
"599260"	986.23644	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+2K-H"	76.91904
"1088882"	380.02484	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2K-H"	76.91904
"154456"	342.068958	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"2M+2K"	77.926316
"591828"	493.621858	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"3M+2K"	77.926316
"1080716"	190.516058	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2K"	77.926316
"1112830"	382.039392	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2K+H"	78.933592
"1344845"	382.127007	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+DMSO+H"	79.021207
"1020668"	386.166176	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2ACN+H"	83.060376
"1533688"	387.159808	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+IsoProp+Na+H"	84.054008
"997948"	193.586726	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+2ACN+2H"	84.067652
"1595731"	388.074428	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+K+HCOOH"	84.968628
"1423578"	418.105938	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+H+CF3COOH"	115.000138
"1156054"	214.100001	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+3ACN+2H"	125.094202
"1706698"	435.132485	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+NH4+CF3COOH"	132.026685
"1639070"	440.08788	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+Na+CF3COOH"	136.98208
"1575815"	456.06182	"C18659"	"Fenamiphos"	"C13H22NO3PS"	"303.1058"	"M+K+CF3COOH"	152.95602
"801806"	250.0162	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M"	0
"976793"	230.99781	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-H2O-H"	-19.01839
"65770"	165.670190666667	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M-3H"	-3.021828
"503384"	249.008924	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M-3H"	-3.021828
"884224"	82.3314573333333	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-3H"	-3.021828
"107"	249.008924	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M-2H"	-2.014552
"441391"	374.017024	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M-2H"	-2.014552
"817736"	124.000824	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-2H"	-2.014552
"91100"	499.025124	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M-H"	-1.007276
"525192"	749.041324	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M-H"	-1.007276
"905187"	249.008924	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-H"	-1.007276
"58468"	516.051671	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M-2H+NH4"	16.019271
"498032"	766.067871	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M-2H+NH4"	16.019271
"874740"	266.035471	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-2H+NH4"	16.019271
"33892"	521.007066	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M-2H+Na"	20.974666
"476732"	771.023266	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M-2H+Na"	20.974666
"858908"	270.990866	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-2H+Na"	20.974666
"1629533"	270.990866	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Na-2H"	20.974666
"101686"	266.997263	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M-H+Cl"	33.962126
"537964"	392.005363	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M-H+Cl"	33.962126
"932579"	141.989163	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-H+Cl"	33.962126
"270040"	535.001802	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+Cl"	34.969402
"661730"	785.018002	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+Cl"	34.969402
"1278147"	284.985602	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Cl"	34.969402
"21798"	536.981006	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M-2H+K"	36.948606
"457345"	786.997206	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M-2H+K"	36.948606
"836971"	286.964806	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-2H+K"	36.948606
"1556811"	286.964806	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+K-2H"	36.948606
"943067"	295.014394	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-H+HCOOH"	44.998194
"361472"	545.030601	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+HCOOH-H"	44.998201
"347525"	559.046251	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+Hac-H"	59.013851
"1498549"	309.030051	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Hac-H"	59.013851
"963903"	316.996351	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-H+NaCOOH"	66.980151
"115364"	284.985602	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+2Cl"	69.938804
"557111"	409.993702	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+2Cl"	69.938804
"1028095"	159.977502	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2Cl"	69.938804
"1246580"	328.935085	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Br"	78.918885
"1304532"	330.991072	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Cl+HCOOH"	80.974872
"1320236"	352.973029	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Cl+NaCOOH"	102.956829
"911534"	363.001786	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M-H+CF3COOH"	112.985586
"1288607"	398.978464	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Cl+CF3COOH"	148.962264
"1367215"	215.003524	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H-2H2O"	-35.012676
"1383145"	233.0135	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H-H2O"	-17.0027
"283434"	501.039676	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+H"	1.007276
"675924"	751.055876	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+H"	1.007276
"1352085"	251.023476	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H"	1.007276
"126673"	251.023476	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+2H"	2.014552
"566235"	376.031576	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+2H"	2.014552
"1038564"	126.015376	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2H"	2.014552
"204751"	167.684742666667	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+3H"	3.021828
"646024"	251.023476	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+3H"	3.021828
"1165244"	84.3460093333333	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+3H"	3.021828
"424401"	518.066223	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+NH4"	18.033823
"786962"	768.082423	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+NH4"	18.033823
"1681468"	268.050023	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+NH4"	18.033823
"330112"	259.5367495	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+H+NH4"	19.041099
"722939"	384.5448495	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+H+NH4"	19.041099
"1478177"	134.5286495	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H+NH4"	19.041099
"396127"	523.021618	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+Na"	22.989218
"764794"	773.037818	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+Na"	22.989218
"1612889"	273.005418	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Na"	22.989218
"327302"	262.014447	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+H+Na"	23.996494
"720453"	387.022547	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+H+Na"	23.996494
"1472450"	137.006347	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H+Na"	23.996494
"1064601"	91.6733233333333	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2H+Na"	25.00377
"1269563"	283.049686	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+CH3OH+H"	33.033486
"389235"	538.995558	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+K"	38.963158
"750229"	789.011758	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+K"	38.963158
"1549003"	288.979358	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+K"	38.963158
"311646"	270.001417	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+H+K"	39.970434
"705163"	395.009517	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+H+K"	39.970434
"1453515"	144.993317	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H+K"	39.970434
"243210"	542.066226	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+ACN+H"	42.033826
"1219200"	292.050026	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+ACN+H"	42.033826
"1206364"	146.528651	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+ACN+2H"	43.041102
"198143"	545.00356	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+2Na-H"	44.97116
"635516"	795.01976	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+2Na-H"	44.97116
"1132095"	294.98736	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2Na-H"	44.97116
"177939"	273.005418	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+2Na"	45.978436
"612821"	398.013518	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+2Na"	45.978436
"1117725"	147.997318	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2Na"	45.978436
"1398487"	99.0006373333333	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H+2Na"	46.985712
"1431178"	297.028946	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H+HCOOH"	47.012746
"221598"	278.03844	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+3H2O+2H"	56.04448
"1508934"	311.08099	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+IsoProp+H"	61.06479
"412993"	280.992388	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+Na+K"	61.952376
"775080"	406.000488	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+Na+K"	61.952376
"1668493"	155.984288	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Na+K"	61.952376
"254650"	564.048168	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+ACN+Na"	64.015768
"1233913"	314.031968	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+ACN+Na"	64.015768
"1717333"	314.055493	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+NH4+HCOOH"	64.039293
"1184510"	106.327951333333	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+3Na"	68.967654
"1652581"	319.010888	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Na+HCOOH"	68.994688
"157865"	576.95144	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+2K-H"	76.91904
"597543"	826.96764	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+2K-H"	76.91904
"1088628"	326.93524	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2K-H"	76.91904
"153473"	288.979358	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"2M+2K"	77.926316
"589751"	413.987458	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"3M+2K"	77.926316
"1079732"	163.971258	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2K"	77.926316
"1109660"	328.949792	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2K+H"	78.933592
"1346048"	329.037407	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+DMSO+H"	79.021207
"1018954"	333.076576	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2ACN+H"	83.060376
"1534891"	334.070208	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+IsoProp+Na+H"	84.054008
"1000244"	167.041926	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+2ACN+2H"	84.067652
"1598029"	334.984828	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+K+HCOOH"	84.968628
"1423688"	365.016338	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+H+CF3COOH"	115.000138
"1155071"	187.555201	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+3ACN+2H"	125.094202
"1706808"	382.042885	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+NH4+CF3COOH"	132.026685
"1639180"	386.99828	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+Na+CF3COOH"	136.98208
"1571793"	402.97222	"C18660"	"Heptenophos"	"C9H12ClO4P"	"250.0162"	"M+K+CF3COOH"	152.95602
"801915"	329.0521	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M"	0
"976540"	310.03371	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-H2O-H"	-19.01839
"65880"	218.360790666667	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M-3H"	-3.021828
"507624"	328.044824	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M-3H"	-3.021828
"886520"	108.676757333333	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-3H"	-3.021828
"434"	328.044824	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M-2H"	-2.014552
"440362"	492.570874	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M-2H"	-2.014552
"818818"	163.518774	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-2H"	-2.014552
"91210"	657.096924	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M-H"	-1.007276
"526395"	986.149024	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M-H"	-1.007276
"904204"	328.044824	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-H"	-1.007276
"56391"	674.123471	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M-2H+NH4"	16.019271
"498141"	1003.175571	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M-2H+NH4"	16.019271
"872662"	345.071371	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-2H+NH4"	16.019271
"38376"	679.078866	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M-2H+Na"	20.974666
"475749"	1008.130966	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M-2H+Na"	20.974666
"860111"	350.026766	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-2H+Na"	20.974666
"1625270"	350.026766	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Na-2H"	20.974666
"101796"	346.033163	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M-H+Cl"	33.962126
"538074"	510.559213	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M-H+Cl"	33.962126
"928432"	181.507113	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-H+Cl"	33.962126
"270150"	693.073602	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+Cl"	34.969402
"661477"	1022.125702	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+Cl"	34.969402
"1277164"	364.021502	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Cl"	34.969402
"21908"	695.052806	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M-2H+K"	36.948606
"458305"	1024.104906	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M-2H+K"	36.948606
"835988"	366.000706	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-2H+K"	36.948606
"1556355"	366.000706	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+K-2H"	36.948606
"946261"	374.050294	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-H+HCOOH"	44.998194
"363016"	703.102401	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+HCOOH-H"	44.998201
"347028"	717.118051	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+Hac-H"	59.013851
"1497200"	388.065951	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Hac-H"	59.013851
"961095"	396.032251	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-H+NaCOOH"	66.980151
"113651"	364.021502	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+2Cl"	69.938804
"555034"	528.547552	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+2Cl"	69.938804
"1026383"	199.495452	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2Cl"	69.938804
"1243774"	407.970985	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Br"	78.918885
"1304480"	410.026972	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Cl+HCOOH"	80.974872
"1322260"	432.008929	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Cl+NaCOOH"	102.956829
"911528"	442.037686	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M-H+CF3COOH"	112.985586
"1288684"	478.014364	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Cl+CF3COOH"	148.962264
"1367207"	294.039424	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H-2H2O"	-35.012676
"1383980"	312.0494	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H-H2O"	-17.0027
"283911"	659.111476	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+H"	1.007276
"675731"	988.163576	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+H"	1.007276
"1352317"	330.059376	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H"	1.007276
"126663"	330.059376	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+2H"	2.014552
"566955"	494.585426	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+2H"	2.014552
"1037818"	165.533326	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2H"	2.014552
"205231"	220.375342666667	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+3H"	3.021828
"646134"	330.059376	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+3H"	3.021828
"1164384"	110.691309333333	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+3H"	3.021828
"425835"	676.138023	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+NH4"	18.033823
"787439"	1005.190123	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+NH4"	18.033823
"1682069"	347.085923	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+NH4"	18.033823
"330952"	338.5726495	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+H+NH4"	19.041099
"723741"	503.0986995	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+H+NH4"	19.041099
"1479016"	174.0465995	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H+NH4"	19.041099
"396237"	681.093418	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+Na"	22.989218
"765997"	1010.145518	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+Na"	22.989218
"1611906"	352.041318	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Na"	22.989218
"329563"	341.050347	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+H+Na"	23.996494
"720442"	505.576397	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+H+Na"	23.996494
"1476776"	176.524297	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H+Na"	23.996494
"1066898"	118.018623333333	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2H+Na"	25.00377
"1266391"	362.085586	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+CH3OH+H"	33.033486
"389345"	697.067358	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+K"	38.963158
"745966"	1026.119458	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+K"	38.963158
"1550207"	368.015258	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+K"	38.963158
"310663"	349.037317	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+H+K"	39.970434
"704178"	513.563367	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+H+K"	39.970434
"1455811"	184.511267	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H+K"	39.970434
"242226"	700.138026	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+ACN+H"	42.033826
"1218216"	371.085926	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+ACN+H"	42.033826
"1203192"	186.046601	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+ACN+2H"	43.041102
"196064"	703.07536	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+2Na-H"	44.97116
"635626"	1032.12746	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+2Na-H"	44.97116
"1132204"	374.02326	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2Na-H"	44.97116
"179142"	352.041318	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+2Na"	45.978436
"613963"	516.567368	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+2Na"	45.978436
"1120022"	187.515268	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2Na"	45.978436
"1399899"	125.345937333333	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H+2Na"	46.985712
"1431041"	376.064846	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H+HCOOH"	47.012746
"220654"	357.07434	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+3H2O+2H"	56.04448
"1508749"	390.11689	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+IsoProp+H"	61.06479
"412371"	360.028288	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+Na+K"	61.952376
"774094"	524.554338	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+Na+K"	61.952376
"1669696"	195.502238	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Na+K"	61.952376
"256218"	722.119968	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+ACN+Na"	64.015768
"1230379"	393.067868	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+ACN+Na"	64.015768
"1717079"	393.091393	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+NH4+HCOOH"	64.039293
"1181703"	132.673251333333	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+3Na"	68.967654
"1652085"	398.046788	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Na+HCOOH"	68.994688
"157610"	735.02324	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+2K-H"	76.91904
"598017"	1064.07534	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+2K-H"	76.91904
"1088374"	405.97114	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2K-H"	76.91904
"153583"	368.015258	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"2M+2K"	77.926316
"589861"	532.541308	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"3M+2K"	77.926316
"1078748"	203.489208	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2K"	77.926316
"1108677"	407.985692	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2K+H"	78.933592
"1347253"	408.073307	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+DMSO+H"	79.021207
"1019064"	412.112476	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2ACN+H"	83.060376
"1536094"	413.106108	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+IsoProp+Na+H"	84.054008
"1001447"	206.559876	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+2ACN+2H"	84.067652
"1600326"	414.020728	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+K+HCOOH"	84.968628
"1427079"	444.052238	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+H+CF3COOH"	115.000138
"1152994"	227.073151	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+3ACN+2H"	125.094202
"1704731"	461.078785	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+NH4+CF3COOH"	132.026685
"1636010"	466.03418	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+Na+CF3COOH"	136.98208
"1571660"	482.00812	"C18661"	"Mecarbam"	"C10H20NO5PS2"	"329.0521"	"M+K+CF3COOH"	152.95602
"803121"	213.0225	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M"	0
"975923"	194.00411	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-H2O-H"	-19.01839
"64531"	141.007724	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M-3H"	-3.021828
"506643"	212.015224	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M-3H"	-3.021828
"884445"	70.000224	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-3H"	-3.021828
"1930"	212.015224	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M-2H"	-2.014552
"445864"	318.526474	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M-2H"	-2.014552
"821480"	105.503974	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-2H"	-2.014552
"92413"	425.037724	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M-H"	-1.007276
"526505"	638.060224	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M-H"	-1.007276
"908320"	212.015224	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-H"	-1.007276
"57595"	442.064271	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M-2H+NH4"	16.019271
"498252"	655.086771	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M-2H+NH4"	16.019271
"873867"	229.041771	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-2H+NH4"	16.019271
"39581"	447.019666	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M-2H+Na"	20.974666
"479139"	660.042166	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M-2H+Na"	20.974666
"860221"	233.997166	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-2H+Na"	20.974666
"1630847"	233.997166	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Na-2H"	20.974666
"105186"	230.003563	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M-H+Cl"	33.962126
"547661"	336.514813	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M-H+Cl"	33.962126
"928663"	123.492313	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-H+Cl"	33.962126
"270260"	461.014402	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+Cl"	34.969402
"661587"	674.036902	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+Cl"	34.969402
"1279460"	247.991902	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Cl"	34.969402
"23111"	462.993606	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M-2H+K"	36.948606
"457322"	676.016106	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M-2H+K"	36.948606
"834394"	249.971106	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-2H+K"	36.948606
"1558491"	249.971106	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+K-2H"	36.948606
"946372"	258.020694	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-H+HCOOH"	44.998194
"363857"	471.043201	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+HCOOH-H"	44.998201
"345961"	485.058851	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+Hac-H"	59.013851
"1498402"	272.036351	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Hac-H"	59.013851
"961934"	280.002651	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-H+NaCOOH"	66.980151
"115584"	247.991902	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+2Cl"	69.938804
"552956"	354.503152	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+2Cl"	69.938804
"1025398"	141.480652	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2Cl"	69.938804
"1243518"	291.941385	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Br"	78.918885
"1304285"	293.997372	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Cl+HCOOH"	80.974872
"1320421"	315.979329	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Cl+NaCOOH"	102.956829
"911382"	326.008086	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M-H+CF3COOH"	112.985586
"1288631"	361.984764	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Cl+CF3COOH"	148.962264
"1367082"	178.009824	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H-2H2O"	-35.012676
"1383279"	196.0198	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H-H2O"	-17.0027
"282837"	427.052276	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+H"	1.007276
"675672"	640.074776	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+H"	1.007276
"1352792"	214.029776	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H"	1.007276
"125768"	214.029776	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+2H"	2.014552
"565718"	320.541026	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+2H"	2.014552
"1037223"	107.518526	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2H"	2.014552
"204274"	143.022276	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+3H"	3.021828
"645150"	214.029776	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+3H"	3.021828
"1164371"	72.014776	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+3H"	3.021828
"425821"	444.078823	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+NH4"	18.033823
"786817"	657.101323	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+NH4"	18.033823
"1682178"	231.056323	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+NH4"	18.033823
"330214"	222.5430495	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+H+NH4"	19.041099
"723237"	329.0542995	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+H+NH4"	19.041099
"1477423"	116.0317995	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H+NH4"	19.041099
"393917"	449.034218	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+Na"	22.989218
"766106"	662.056718	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+Na"	22.989218
"1614202"	236.011718	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Na"	22.989218
"329229"	225.020747	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+H+Na"	23.996494
"722375"	331.531997	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+H+Na"	23.996494
"1476685"	118.509497	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H+Na"	23.996494
"1065915"	79.34209	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2H+Na"	25.00377
"1265408"	246.055986	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+CH3OH+H"	33.033486
"389084"	465.008158	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+K"	38.963158
"751541"	678.030658	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+K"	38.963158
"1550317"	251.985658	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+K"	38.963158
"308585"	233.007717	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+H+K"	39.970434
"702101"	339.518967	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+H+K"	39.970434
"1455921"	126.496467	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H+K"	39.970434
"243429"	468.078826	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+ACN+H"	42.033826
"1219418"	255.056326	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+ACN+H"	42.033826
"1204395"	128.031801	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+ACN+2H"	43.041102
"202371"	471.01616	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+2Na-H"	44.97116
"639747"	684.03866	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+2Na-H"	44.97116
"1133774"	257.99366	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2Na-H"	44.97116
"182533"	236.011718	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+2Na"	45.978436
"619906"	342.522968	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+2Na"	45.978436
"1118674"	129.500468	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2Na"	45.978436
"1409122"	86.669404	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H+2Na"	46.985712
"1430014"	260.035246	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H+HCOOH"	47.012746
"220400"	241.04474	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+3H2O+2H"	56.04448
"1509154"	274.08729	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+IsoProp+H"	61.06479
"410298"	243.998688	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+Na+K"	61.952376
"771655"	350.509938	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+Na+K"	61.952376
"1669443"	137.487438	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Na+K"	61.952376
"253170"	490.060768	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+ACN+Na"	64.015768
"1226845"	277.038268	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+ACN+Na"	64.015768
"1715368"	277.061793	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+NH4+HCOOH"	64.039293
"1180721"	93.996718	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+3Na"	68.967654
"1652195"	282.017188	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Na+HCOOH"	68.994688
"158328"	502.96404	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+2K-H"	76.91904
"597521"	715.98654	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+2K-H"	76.91904
"1087026"	289.94154	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2K-H"	76.91904
"153693"	251.985658	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"2M+2K"	77.926316
"593253"	358.496908	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"3M+2K"	77.926316
"1078858"	145.474408	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2K"	77.926316
"1108787"	291.956092	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2K+H"	78.933592
"1350403"	292.043707	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+DMSO+H"	79.021207
"1020146"	296.082876	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2ACN+H"	83.060376
"1537297"	297.076508	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+IsoProp+Na+H"	84.054008
"1000464"	148.545076	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+2ACN+2H"	84.067652
"1598249"	297.991128	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+K+HCOOH"	84.968628
"1428283"	328.022638	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+H+CF3COOH"	115.000138
"1157478"	169.058351	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+3ACN+2H"	125.094202
"1702654"	345.049185	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+NH4+CF3COOH"	132.026685
"1638308"	350.00458	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+Na+CF3COOH"	136.98208
"1571648"	365.97852	"C18662"	"Omethoate"	"C5H12NO4PS"	"213.0225"	"M+K+CF3COOH"	152.95602
"801523"	223.061	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M"	0
"974341"	204.04261	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-H2O-H"	-19.01839
"64034"	147.700057333333	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M-3H"	-3.021828
"506753"	222.053724	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M-3H"	-3.021828
"884555"	73.3463906666667	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-3H"	-3.021828
"947"	222.053724	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M-2H"	-2.014552
"444881"	333.584224	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M-2H"	-2.014552
"818675"	110.523224	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-2H"	-2.014552
"91430"	445.114724	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M-H"	-1.007276
"526615"	668.175724	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M-H"	-1.007276
"909159"	222.053724	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-H"	-1.007276
"58797"	462.141271	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M-2H+NH4"	16.019271
"498358"	685.202271	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M-2H+NH4"	16.019271
"876163"	239.080271	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-2H+NH4"	16.019271
"40781"	467.096666	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M-2H+Na"	20.974666
"478155"	690.157666	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M-2H+Na"	20.974666
"858143"	244.035666	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-2H+Na"	20.974666
"1626583"	244.035666	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Na-2H"	20.974666
"102016"	240.042063	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M-H+Cl"	33.962126
"545948"	351.572563	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M-H+Cl"	33.962126
"927673"	128.511563	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-H+Cl"	33.962126
"271463"	481.091402	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+Cl"	34.969402
"661088"	704.152402	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+Cl"	34.969402
"1279570"	258.030402	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Cl"	34.969402
"22128"	483.070606	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M-2H+K"	36.948606
"457311"	706.131606	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M-2H+K"	36.948606
"834140"	260.009606	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-2H+K"	36.948606
"1557505"	260.009606	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+K-2H"	36.948606
"943073"	268.059194	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-H+HCOOH"	44.998194
"363967"	491.120201	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+HCOOH-H"	44.998201
"347126"	505.135851	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+Hac-H"	59.013851
"1499605"	282.074851	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Hac-H"	59.013851
"963502"	290.041151	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-H+NaCOOH"	66.980151
"115328"	258.030402	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+2Cl"	69.938804
"553430"	369.560902	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+2Cl"	69.938804
"1024415"	146.499902	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2Cl"	69.938804
"1242899"	301.979885	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Br"	78.918885
"1304289"	304.035872	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Cl+HCOOH"	80.974872
"1323205"	326.017829	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Cl+NaCOOH"	102.956829
"912076"	336.046586	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M-H+CF3COOH"	112.985586
"1288863"	372.023264	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Cl+CF3COOH"	148.962264
"1367121"	188.048324	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H-2H2O"	-35.012676
"1383349"	206.0583	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H-H2O"	-17.0027
"282949"	447.129276	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+H"	1.007276
"675857"	670.190276	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+H"	1.007276
"1351810"	224.068276	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H"	1.007276
"126027"	224.068276	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+2H"	2.014552
"565869"	335.598776	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+2H"	2.014552
"1037088"	112.537776	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2H"	2.014552
"204514"	149.714609333333	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+3H"	3.021828
"644529"	224.068276	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+3H"	3.021828
"1163751"	75.3609426666667	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+3H"	3.021828
"424958"	464.155823	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+NH4"	18.033823
"786682"	687.216823	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+NH4"	18.033823
"1681925"	241.094823	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+NH4"	18.033823
"329991"	232.5815495	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+H+NH4"	19.041099
"723105"	344.1120495	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+H+NH4"	19.041099
"1477289"	121.0510495	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H+NH4"	19.041099
"393297"	469.111218	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+Na"	22.989218
"766216"	692.172218	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+Na"	22.989218
"1614312"	246.050218	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Na"	22.989218
"329783"	235.059247	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+H+Na"	23.996494
"721147"	346.589747	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+H+Na"	23.996494
"1476873"	123.528747	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H+Na"	23.996494
"1067118"	82.6882566666667	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2H+Na"	25.00377
"1267704"	256.094486	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+CH3OH+H"	33.033486
"389194"	485.085158	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+K"	38.963158
"750190"	708.146158	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+K"	38.963158
"1552244"	262.024158	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+K"	38.963158
"310514"	243.046217	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+H+K"	39.970434
"702211"	354.576717	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+H+K"	39.970434
"1456031"	131.515717	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H+K"	39.970434
"240259"	488.155826	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+ACN+H"	42.033826
"1216248"	265.094826	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+ACN+H"	42.033826
"1206693"	133.051051	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+ACN+2H"	43.041102
"201388"	491.09316	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+2Na-H"	44.97116
"639128"	714.15416	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+2Na-H"	44.97116
"1137164"	268.03216	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2Na-H"	44.97116
"179363"	246.050218	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+2Na"	45.978436
"615763"	357.580718	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+2Na"	45.978436
"1120608"	134.519718	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2Na"	45.978436
"1407046"	90.0155706666667	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H+2Na"	46.985712
"1431018"	270.073746	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H+HCOOH"	47.012746
"220018"	251.08324	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+3H2O+2H"	56.04448
"1508461"	284.12579	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+IsoProp+H"	61.06479
"408826"	254.037188	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+Na+K"	61.952376
"770914"	365.567688	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+Na+K"	61.952376
"1669556"	142.506688	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Na+K"	61.952376
"253157"	510.137768	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+ACN+Na"	64.015768
"1226953"	287.076768	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+ACN+Na"	64.015768
"1714747"	287.100293	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+NH4+HCOOH"	64.039293
"1180830"	97.3428846666667	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+3Na"	68.967654
"1651454"	292.055688	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Na+HCOOH"	68.994688
"157345"	523.04104	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+2K-H"	76.91904
"597305"	746.10204	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+2K-H"	76.91904
"1086407"	299.98004	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2K-H"	76.91904
"153803"	262.024158	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"2M+2K"	77.926316
"593363"	373.554658	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"3M+2K"	77.926316
"1078968"	150.493658	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2K"	77.926316
"1108897"	301.994592	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2K+H"	78.933592
"1349659"	302.082207	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+DMSO+H"	79.021207
"1018190"	306.121376	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2ACN+H"	83.060376
"1537407"	307.115008	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+IsoProp+Na+H"	84.054008
"1001667"	153.564326	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+2ACN+2H"	84.067652
"1591796"	308.029628	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+K+HCOOH"	84.968628
"1424017"	338.061138	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+H+CF3COOH"	115.000138
"1153210"	174.077601	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+3ACN+2H"	125.094202
"1702764"	355.087685	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+NH4+CF3COOH"	132.026685
"1638418"	360.04308	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+Na+CF3COOH"	136.98208
"1571758"	376.01702	"C18663"	"Monocrotophos"	"C7H14NO5P"	"223.061"	"M+K+CF3COOH"	152.95602
"801882"	246.0149	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M"	0
"975778"	226.99651	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-H2O-H"	-19.01839
"64023"	163.002657333333	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M-3H"	-3.021828
"506863"	245.007624	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M-3H"	-3.021828
"884665"	80.9976906666667	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-3H"	-3.021828
"2150"	245.007624	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M-2H"	-2.014552
"443898"	368.015074	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M-2H"	-2.014552
"817932"	122.000174	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-2H"	-2.014552
"89354"	491.022524	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M-H"	-1.007276
"526725"	737.037424	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M-H"	-1.007276
"908905"	245.007624	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-H"	-1.007276
"59637"	508.049071	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M-2H+NH4"	16.019271
"498831"	754.063971	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M-2H+NH4"	16.019271
"875179"	262.034171	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-2H+NH4"	16.019271
"39798"	513.004466	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M-2H+Na"	20.974666
"479358"	759.019366	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M-2H+Na"	20.974666
"859346"	266.989566	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-2H+Na"	20.974666
"1626694"	266.989566	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Na-2H"	20.974666
"102126"	262.995963	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M-H+Cl"	33.962126
"542778"	386.003413	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M-H+Cl"	33.962126
"927215"	139.988513	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-H+Cl"	33.962126
"270480"	526.999202	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+Cl"	34.969402
"661198"	773.014102	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+Cl"	34.969402
"1278587"	280.984302	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Cl"	34.969402
"23331"	528.978406	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M-2H+K"	36.948606
"457421"	774.993306	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M-2H+K"	36.948606
"834129"	282.963506	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-2H+K"	36.948606
"1557615"	282.963506	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+K-2H"	36.948606
"943467"	291.013094	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-H+HCOOH"	44.998194
"364077"	537.028001	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+HCOOH-H"	44.998201
"346143"	551.043651	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+Hac-H"	59.013851
"1498623"	305.028751	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Hac-H"	59.013851
"963977"	312.995051	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-H+NaCOOH"	66.980151
"112885"	280.984302	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+2Cl"	69.938804
"552812"	403.991752	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+2Cl"	69.938804
"1023796"	157.976852	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2Cl"	69.938804
"1244468"	324.933785	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Br"	78.918885
"1304564"	326.989772	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Cl+HCOOH"	80.974872
"1322222"	348.971729	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Cl+NaCOOH"	102.956829
"912187"	359.000486	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M-H+CF3COOH"	112.985586
"1289623"	394.977164	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Cl+CF3COOH"	148.962264
"1367295"	211.002224	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H-2H2O"	-35.012676
"1383215"	229.0122	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H-H2O"	-17.0027
"283510"	493.037076	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+H"	1.007276
"675926"	739.051976	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+H"	1.007276
"1351677"	247.022176	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H"	1.007276
"126140"	247.022176	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+2H"	2.014552
"566554"	370.029626	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+2H"	2.014552
"1037537"	124.014726	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2H"	2.014552
"204583"	165.017209333333	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+3H"	3.021828
"645125"	247.022176	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+3H"	3.021828
"1163051"	83.0122426666667	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+3H"	3.021828
"426036"	510.063623	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+NH4"	18.033823
"786060"	756.078523	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+NH4"	18.033823
"1681348"	264.048723	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+NH4"	18.033823
"330077"	255.5354495	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+H+NH4"	19.041099
"723090"	378.5428995	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+H+NH4"	19.041099
"1477272"	132.5279995	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H+NH4"	19.041099
"394015"	515.019018	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+Na"	22.989218
"754444"	761.033918	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+Na"	22.989218
"1602824"	269.004118	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Na"	22.989218
"318987"	258.013147	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+H+Na"	23.996494
"721257"	381.020597	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+H+Na"	23.996494
"1476658"	135.005697	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H+Na"	23.996494
"1065771"	90.3395566666667	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2H+Na"	25.00377
"1265628"	279.048386	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+CH3OH+H"	33.033486
"388575"	530.992958	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+K"	38.963158
"751759"	777.007858	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+K"	38.963158
"1553447"	284.978058	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+K"	38.963158
"311353"	266.000117	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+H+K"	39.970434
"700132"	389.007567	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+H+K"	39.970434
"1456141"	142.992667	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H+K"	39.970434
"240369"	534.063626	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+ACN+H"	42.033826
"1217451"	288.048726	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+ACN+H"	42.033826
"1207899"	144.528001	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+ACN+2H"	43.041102
"199676"	537.00096	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+2Na-H"	44.97116
"639239"	783.01586	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+2Na-H"	44.97116
"1137274"	290.98606	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2Na-H"	44.97116
"173273"	269.004118	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+2Na"	45.978436
"618305"	392.011568	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+2Na"	45.978436
"1117193"	145.996668	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2Na"	45.978436
"1400109"	97.6668706666667	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H+2Na"	46.985712
"1430766"	293.027646	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H+HCOOH"	47.012746
"220340"	274.03714	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+3H2O+2H"	56.04448
"1508764"	307.07969	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+IsoProp+H"	61.06479
"408730"	276.991088	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+Na+K"	61.952376
"770785"	399.998538	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+Na+K"	61.952376
"1668574"	153.983638	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Na+K"	61.952376
"252903"	556.045568	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+ACN+Na"	64.015768
"1226702"	310.030668	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+ACN+Na"	64.015768
"1713768"	310.054193	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+NH4+HCOOH"	64.039293
"1180577"	104.994184666667	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+3Na"	68.967654
"1650590"	315.009588	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Na+HCOOH"	68.994688
"157206"	568.94884	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+2K-H"	76.91904
"597337"	814.96374	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+2K-H"	76.91904
"1086883"	322.93394	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2K-H"	76.91904
"153913"	284.978058	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"2M+2K"	77.926316
"592380"	407.985508	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"3M+2K"	77.926316
"1079078"	161.970608	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2K"	77.926316
"1109007"	324.948492	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2K+H"	78.933592
"1349769"	325.036107	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+DMSO+H"	79.021207
"1015016"	329.075276	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2ACN+H"	83.060376
"1534233"	330.068908	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+IsoProp+Na+H"	84.054008
"996306"	165.041276	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+2ACN+2H"	84.067652
"1591906"	330.983528	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+K+HCOOH"	84.968628
"1423033"	361.015038	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+H+CF3COOH"	115.000138
"1150404"	185.554551	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+3ACN+2H"	125.094202
"1700685"	378.041585	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+NH4+CF3COOH"	132.026685
"1638528"	382.99698	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+Na+CF3COOH"	136.98208
"1571747"	398.97092	"C18664"	"Oxydemeton-methyl"	"C6H15O4PS2"	"246.0149"	"M+K+CF3COOH"	152.95602
"804544"	245.9972	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M"	0
"974955"	226.97881	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-H2O-H"	-19.01839
"67413"	162.990857333333	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M-3H"	-3.021828
"511348"	244.989924	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M-3H"	-3.021828
"882589"	80.9917906666667	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-3H"	-3.021828
"1167"	244.989924	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M-2H"	-2.014552
"444008"	367.988524	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M-2H"	-2.014552
"817922"	121.991324	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-2H"	-2.014552
"88371"	490.987124	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M-H"	-1.007276
"524650"	736.984324	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M-H"	-1.007276
"908651"	244.989924	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-H"	-1.007276
"59747"	508.013671	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M-2H+NH4"	16.019271
"500767"	754.010871	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M-2H+NH4"	16.019271
"874196"	262.016471	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-2H+NH4"	16.019271
"42096"	512.969066	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M-2H+Na"	20.974666
"477283"	758.966266	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M-2H+Na"	20.974666
"855083"	266.971866	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-2H+Na"	20.974666
"1623524"	266.971866	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Na-2H"	20.974666
"95677"	262.978263	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M-H+Cl"	33.962126
"537422"	385.976863	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M-H+Cl"	33.962126
"927148"	139.979663	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-H+Cl"	33.962126
"269861"	526.963802	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+Cl"	34.969402
"661192"	772.961002	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+Cl"	34.969402
"1273958"	280.966602	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Cl"	34.969402
"17607"	528.943006	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M-2H+K"	36.948606
"457892"	774.940206	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M-2H+K"	36.948606
"834602"	282.945806	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-2H+K"	36.948606
"1555731"	282.945806	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+K-2H"	36.948606
"942924"	290.995394	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-H+HCOOH"	44.998194
"366013"	536.992601	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+HCOOH-H"	44.998201
"347347"	551.008251	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+Hac-H"	59.013851
"1499829"	305.011051	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Hac-H"	59.013851
"962265"	312.977351	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-H+NaCOOH"	66.980151
"110566"	280.966602	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+2Cl"	69.938804
"558027"	403.965202	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+2Cl"	69.938804
"1023543"	157.968002	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2Cl"	69.938804
"1242027"	324.916085	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Br"	78.918885
"1306299"	326.972072	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Cl+HCOOH"	80.974872
"1320063"	348.954029	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Cl+NaCOOH"	102.956829
"911418"	358.982786	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M-H+CF3COOH"	112.985586
"1288675"	394.959464	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Cl+CF3COOH"	148.962264
"1367172"	210.984524	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H-2H2O"	-35.012676
"1382879"	228.9945	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H-H2O"	-17.0027
"283991"	493.001676	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+H"	1.007276
"675832"	738.998876	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+H"	1.007276
"1352880"	247.004476	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H"	1.007276
"125778"	247.004476	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+2H"	2.014552
"566909"	370.003076	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+2H"	2.014552
"1037244"	124.005876	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2H"	2.014552
"204942"	165.005409333333	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+3H"	3.021828
"645479"	247.004476	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+3H"	3.021828
"1164696"	83.0063426666667	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+3H"	3.021828
"425054"	510.028223	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+NH4"	18.033823
"786176"	756.025423	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+NH4"	18.033823
"1681492"	264.031023	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+NH4"	18.033823
"330415"	255.5177495	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+H+NH4"	19.041099
"723929"	378.5163495	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+H+NH4"	19.041099
"1477142"	132.5191495	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H+NH4"	19.041099
"393274"	514.983618	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+Na"	22.989218
"754757"	760.980818	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+Na"	22.989218
"1613435"	268.986418	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Na"	22.989218
"324565"	257.995447	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+H+Na"	23.996494
"718815"	380.994047	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+H+Na"	23.996494
"1477018"	134.996847	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H+Na"	23.996494
"1067221"	90.3336566666667	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2H+Na"	25.00377
"1266831"	279.030686	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+CH3OH+H"	33.033486
"390146"	530.957558	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+K"	38.963158
"751872"	776.954758	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+K"	38.963158
"1551734"	284.960358	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+K"	38.963158
"310734"	265.982417	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+H+K"	39.970434
"701335"	388.981017	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+H+K"	39.970434
"1455154"	142.983817	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H+K"	39.970434
"247769"	534.028226	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+ACN+H"	42.033826
"1219747"	288.031026	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+ACN+H"	42.033826
"1206551"	144.519151	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+ACN+2H"	43.041102
"200881"	536.96556	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+2Na-H"	44.97116
"638254"	782.96276	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+2Na-H"	44.97116
"1134106"	290.96836	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2Na-H"	44.97116
"178490"	268.986418	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+2Na"	45.978436
"615863"	391.985018	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+2Na"	45.978436
"1118275"	145.987818	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2Na"	45.978436
"1401070"	97.6609706666667	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H+2Na"	46.985712
"1431242"	293.009946	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H+HCOOH"	47.012746
"220815"	274.01944	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+3H2O+2H"	56.04448
"1508510"	307.06199	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+IsoProp+H"	61.06479
"408556"	276.973388	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+Na+K"	61.952376
"770322"	399.971988	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+Na+K"	61.952376
"1667590"	153.974788	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Na+K"	61.952376
"254107"	556.010168	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+ACN+Na"	64.015768
"1226126"	310.012968	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+ACN+Na"	64.015768
"1714236"	310.036493	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+NH4+HCOOH"	64.039293
"1181051"	104.988284666667	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+3Na"	68.967654
"1650577"	314.991888	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Na+HCOOH"	68.994688
"158905"	568.91344	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+2K-H"	76.91904
"597103"	814.91064	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+2K-H"	76.91904
"1084265"	322.91624	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2K-H"	76.91904
"152929"	284.960358	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"2M+2K"	77.926316
"592489"	407.958958	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"3M+2K"	77.926316
"1080281"	161.961758	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2K"	77.926316
"1112035"	324.930792	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2K+H"	78.933592
"1348786"	325.018407	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+DMSO+H"	79.021207
"1014034"	329.057576	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2ACN+H"	83.060376
"1532156"	330.051208	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+IsoProp+Na+H"	84.054008
"996417"	165.032426	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+2ACN+2H"	84.067652
"1589829"	330.965828	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+K+HCOOH"	84.968628
"1424239"	360.997338	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+H+CF3COOH"	115.000138
"1150151"	185.545701	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+3ACN+2H"	125.094202
"1706263"	378.023885	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+NH4+CF3COOH"	132.026685
"1634623"	382.97928	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+Na+CF3COOH"	136.98208
"1571370"	398.95322	"C18665"	"Thiometon"	"C6H15O2PS3"	"245.9972"	"M+K+CF3COOH"	152.95602
"806842"	287.0415	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M"	0
"983654"	268.02311	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-H2O-H"	-19.01839
"72990"	190.353724	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M-3H"	-3.021828
"513644"	286.034224	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M-3H"	-3.021828
"890354"	94.673224	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-3H"	-3.021828
"1276"	286.034224	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M-2H"	-2.014552
"442295"	429.554974	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M-2H"	-2.014552
"817911"	142.513474	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-2H"	-2.014552
"88481"	573.075724	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M-H"	-1.007276
"523666"	860.117224	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M-H"	-1.007276
"905844"	286.034224	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-H"	-1.007276
"60588"	590.102271	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M-2H+NH4"	16.019271
"501486"	877.143771	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M-2H+NH4"	16.019271
"876492"	303.060771	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-2H+NH4"	16.019271
"41114"	595.057666	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M-2H+Na"	20.974666
"480673"	882.099166	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M-2H+Na"	20.974666
"856287"	308.016166	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-2H+Na"	20.974666
"1622541"	308.016166	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Na-2H"	20.974666
"102347"	304.022563	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M-H+Cl"	33.962126
"538625"	447.543313	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M-H+Cl"	33.962126
"928008"	160.501813	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-H+Cl"	33.962126
"268147"	609.052402	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+Cl"	34.969402
"661302"	896.093902	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+Cl"	34.969402
"1275893"	322.010902	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Cl"	34.969402
"19178"	611.031606	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M-2H+K"	36.948606
"457639"	898.073106	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M-2H+K"	36.948606
"835077"	323.990106	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-2H+K"	36.948606
"1557105"	323.990106	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+K-2H"	36.948606
"943283"	332.039694	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-H+HCOOH"	44.998194
"366487"	619.081201	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+HCOOH-H"	44.998201
"351468"	633.096851	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+Hac-H"	59.013851
"1497753"	346.055351	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Hac-H"	59.013851
"967480"	354.021651	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-H+NaCOOH"	66.980151
"118577"	322.010902	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+2Cl"	69.938804
"554858"	465.531652	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+2Cl"	69.938804
"1027663"	178.490152	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2Cl"	69.938804
"1244689"	365.960385	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Br"	78.918885
"1308231"	368.016372	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Cl+HCOOH"	80.974872
"1321717"	389.998329	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Cl+NaCOOH"	102.956829
"912775"	400.027086	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M-H+CF3COOH"	112.985586
"1289600"	436.003764	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Cl+CF3COOH"	148.962264
"1367761"	252.028824	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H-2H2O"	-35.012676
"1384166"	270.0388	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H-H2O"	-17.0027
"284461"	575.090276	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+H"	1.007276
"677608"	862.131776	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+H"	1.007276
"1353234"	288.048776	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H"	1.007276
"126119"	288.048776	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+2H"	2.014552
"566169"	431.569526	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+2H"	2.014552
"1037273"	144.528026	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2H"	2.014552
"204812"	192.368276	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+3H"	3.021828
"645227"	288.048776	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+3H"	3.021828
"1163353"	96.687776	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+3H"	3.021828
"426620"	592.116823	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+NH4"	18.033823
"786650"	879.158323	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+NH4"	18.033823
"1682498"	305.075323	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+NH4"	18.033823
"331498"	296.5620495	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+H+NH4"	19.041099
"723315"	440.0827995	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+H+NH4"	19.041099
"1479932"	153.0412995	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H+NH4"	19.041099
"394238"	597.072218	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+Na"	22.989218
"755599"	884.113718	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+Na"	22.989218
"1613545"	310.030718	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Na"	22.989218
"327837"	299.039747	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+H+Na"	23.996494
"721476"	442.560497	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+H+Na"	23.996494
"1476030"	155.518997	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H+Na"	23.996494
"1067087"	104.01509	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2H+Na"	25.00377
"1266941"	320.074986	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+CH3OH+H"	33.033486
"389893"	613.046158	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+K"	38.963158
"750889"	900.087658	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+K"	38.963158
"1552942"	326.004658	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+K"	38.963158
"310847"	307.026717	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+H+K"	39.970434
"703633"	450.547467	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+H+K"	39.970434
"1455267"	163.505967	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H+K"	39.970434
"249342"	616.116826	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+ACN+H"	42.033826
"1222778"	329.075326	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+ACN+H"	42.033826
"1206298"	165.041301	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+ACN+2H"	43.041102
"202085"	619.05416	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+2Na-H"	44.97116
"637271"	906.09566	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+2Na-H"	44.97116
"1137496"	332.01266	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2Na-H"	44.97116
"177507"	310.030718	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+2Na"	45.978436
"617067"	453.551468	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+2Na"	45.978436
"1119480"	166.509968	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2Na"	45.978436
"1403003"	111.342404	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H+2Na"	46.985712
"1431596"	334.054246	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H+HCOOH"	47.012746
"222627"	315.06374	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+3H2O+2H"	56.04448
"1510689"	348.10629	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+IsoProp+H"	61.06479
"412560"	318.017688	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+Na+K"	61.952376
"773558"	461.538438	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+Na+K"	61.952376
"1672074"	174.496938	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Na+K"	61.952376
"253124"	638.098768	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+ACN+Na"	64.015768
"1226560"	351.057268	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+ACN+Na"	64.015768
"1713257"	351.080793	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+NH4+HCOOH"	64.039293
"1179019"	118.669718	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+3Na"	68.967654
"1650328"	356.036188	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Na+HCOOH"	68.994688
"158286"	651.00204	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+2K-H"	76.91904
"597480"	938.04354	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+2K-H"	76.91904
"1084421"	363.96054	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2K-H"	76.91904
"154133"	326.004658	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"2M+2K"	77.926316
"591506"	469.525408	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"3M+2K"	77.926316
"1079298"	182.483908	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2K"	77.926316
"1112509"	365.975092	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2K+H"	78.933592
"1339052"	366.062707	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+DMSO+H"	79.021207
"1013051"	370.101876	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2ACN+H"	83.060376
"1532267"	371.095508	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+IsoProp+Na+H"	84.054008
"995434"	185.554576	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+2ACN+2H"	84.067652
"1591031"	372.010128	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+K+HCOOH"	84.968628
"1416694"	402.041638	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+H+CF3COOH"	115.000138
"1150260"	206.067851	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+3ACN+2H"	125.094202
"1704186"	419.068185	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+NH4+CF3COOH"	132.026685
"1634855"	424.02358	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+Na+CF3COOH"	136.98208
"1571521"	439.99752	"C18666"	"Vamidothion"	"C8H18NO4PS2"	"287.0415"	"M+K+CF3COOH"	152.95602
"804764"	141.0013	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M"	0
"978297"	121.98291	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-H2O-H"	-19.01839
"69820"	92.9935906666666	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M-3H"	-3.021828
"514849"	139.994024	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M-3H"	-3.021828
"895249"	45.9931573333333	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-3H"	-3.021828
"2844"	139.994024	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M-2H"	-2.014552
"440944"	210.494674	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M-2H"	-2.014552
"818018"	69.493374	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-2H"	-2.014552
"88590"	280.995324	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M-H"	-1.007276
"527055"	421.996624	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M-H"	-1.007276
"903768"	139.994024	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-H"	-1.007276
"61062"	298.021871	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M-2H+NH4"	16.019271
"501351"	439.023171	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M-2H+NH4"	16.019271
"877331"	157.020571	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-2H+NH4"	16.019271
"43410"	302.977266	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M-2H+Na"	20.974666
"480785"	443.978566	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M-2H+Na"	20.974666
"858585"	161.975966	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-2H+Na"	20.974666
"1629212"	161.975966	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Na-2H"	20.974666
"100271"	157.982363	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M-H+Cl"	33.962126
"539829"	228.483013	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M-H+Cl"	33.962126
"927753"	87.481713	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-H+Cl"	33.962126
"267885"	316.972002	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+Cl"	34.969402
"660108"	457.973302	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+Cl"	34.969402
"1273681"	175.970702	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Cl"	34.969402
"16853"	318.951206	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M-2H+K"	36.948606
"456652"	459.952506	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M-2H+K"	36.948606
"834094"	177.949906	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-2H+K"	36.948606
"1557215"	177.949906	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+K-2H"	36.948606
"944000"	185.999494	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-H+HCOOH"	44.998194
"365504"	327.000801	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+HCOOH-H"	44.998201
"352671"	341.016451	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+Hac-H"	59.013851
"1503696"	200.015151	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Hac-H"	59.013851
"964310"	207.981451	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-H+NaCOOH"	66.980151
"120146"	175.970702	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+2Cl"	69.938804
"561164"	246.471352	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+2Cl"	69.938804
"1030689"	105.470052	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2Cl"	69.938804
"1245164"	219.920185	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Br"	78.918885
"1305789"	221.976172	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Cl+HCOOH"	80.974872
"1322556"	243.958129	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Cl+NaCOOH"	102.956829
"912520"	253.986886	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M-H+CF3COOH"	112.985586
"1291048"	289.963564	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Cl+CF3COOH"	148.962264
"1368479"	105.988624	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H-2H2O"	-35.012676
"1384156"	123.9986	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H-H2O"	-17.0027
"283479"	283.009876	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+H"	1.007276
"676135"	424.011176	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+H"	1.007276
"1352980"	142.008576	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H"	1.007276
"125916"	142.008576	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+2H"	2.014552
"565916"	212.509226	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+2H"	2.014552
"1037181"	71.507926	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2H"	2.014552
"204559"	95.0081426666667	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+3H"	3.021828
"644608"	142.008576	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+3H"	3.021828
"1163829"	48.0077093333333	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+3H"	3.021828
"425395"	300.036423	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+NH4"	18.033823
"786031"	441.037723	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+NH4"	18.033823
"1681757"	159.035123	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+NH4"	18.033823
"330395"	150.5218495	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+H+NH4"	19.041099
"724031"	221.0224995	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+H+NH4"	19.041099
"1478583"	80.0211995	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H+NH4"	19.041099
"394713"	304.991818	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+Na"	22.989218
"756073"	445.993118	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+Na"	22.989218
"1606364"	163.990518	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Na"	22.989218
"324788"	152.999547	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+H+Na"	23.996494
"712834"	223.500197	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+H+Na"	23.996494
"1472131"	82.498897	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H+Na"	23.996494
"1064279"	55.3350233333333	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2H+Na"	25.00377
"1268145"	174.034786	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+CH3OH+H"	33.033486
"387817"	320.965758	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+K"	38.963158
"748813"	461.967058	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+K"	38.963158
"1550864"	179.964458	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+K"	38.963158
"308041"	160.986517	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+H+K"	39.970434
"703379"	231.487167	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+H+K"	39.970434
"1458293"	90.485867	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H+K"	39.970434
"249453"	324.036426	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+ACN+H"	42.033826
"1223249"	183.035126	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+ACN+H"	42.033826
"1208231"	92.021201	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+ACN+2H"	43.041102
"201465"	326.97376	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+2Na-H"	44.97116
"639568"	467.97506	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+2Na-H"	44.97116
"1134326"	185.97246	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2Na-H"	44.97116
"179803"	163.990518	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+2Na"	45.978436
"616448"	234.491168	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+2Na"	45.978436
"1119955"	93.489868	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2Na"	45.978436
"1402020"	62.6623373333333	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H+2Na"	46.985712
"1430488"	188.014046	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H+HCOOH"	47.012746
"221643"	169.02354	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+3H2O+2H"	56.04448
"1508971"	202.06609	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+IsoProp+H"	61.06479
"409390"	171.977488	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+Na+K"	61.952376
"772575"	242.478138	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+Na+K"	61.952376
"1671093"	101.476838	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Na+K"	61.952376
"255423"	346.018368	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+ACN+Na"	64.015768
"1228129"	205.017068	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+ACN+Na"	64.015768
"1714095"	205.040593	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+NH4+HCOOH"	64.039293
"1180547"	69.9896513333333	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+3Na"	68.967654
"1651530"	209.995988	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Na+HCOOH"	68.994688
"159855"	358.92164	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+2K-H"	76.91904
"599415"	499.92294	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+2K-H"	76.91904
"1088667"	217.92034	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2K-H"	76.91904
"154241"	179.964458	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"2M+2K"	77.926316
"589428"	250.465108	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"3M+2K"	77.926316
"1076128"	109.463808	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2K"	77.926316
"1112618"	219.934892	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2K+H"	78.933592
"1342442"	220.022507	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+DMSO+H"	79.021207
"1015347"	224.061676	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2ACN+H"	83.060376
"1532376"	225.055308	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+IsoProp+Na+H"	84.054008
"996637"	112.534476	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+2ACN+2H"	84.067652
"1591140"	225.969928	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+K+HCOOH"	84.968628
"1416804"	256.001438	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+H+CF3COOH"	115.000138
"1150370"	133.047751	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+3ACN+2H"	125.094202
"1704296"	273.027985	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+NH4+CF3COOH"	132.026685
"1635574"	277.98338	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+Na+CF3COOH"	136.98208
"1573415"	293.95732	"C18667"	"Methamidophos"	"C2H8NO2PS"	"141.0013"	"M+K+CF3COOH"	152.95602
"802686"	221.1164	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M"	0
"977314"	202.09801	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-H2O-H"	-19.01839
"71023"	146.403657333333	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M-3H"	-3.021828
"513866"	220.109124	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M-3H"	-3.021828
"893856"	72.6981906666667	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-3H"	-3.021828
"4775"	220.109124	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M-2H"	-2.014552
"444335"	330.667324	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M-2H"	-2.014552
"818857"	109.550924	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-2H"	-2.014552
"84321"	441.225524	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M-H"	-1.007276
"524977"	662.341924	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M-H"	-1.007276
"896458"	220.109124	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-H"	-1.007276
"50598"	458.252071	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M-2H+NH4"	16.019271
"496720"	679.368471	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M-2H+NH4"	16.019271
"876710"	237.135671	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-2H+NH4"	16.019271
"39143"	463.207466	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M-2H+Na"	20.974666
"479797"	684.323866	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M-2H+Na"	20.974666
"858692"	242.091066	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-2H+Na"	20.974666
"1626036"	242.091066	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Na-2H"	20.974666
"100377"	238.097463	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M-H+Cl"	33.962126
"536657"	348.655663	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M-H+Cl"	33.962126
"928222"	127.539263	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-H+Cl"	33.962126
"268970"	477.202202	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+Cl"	34.969402
"660904"	698.318602	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+Cl"	34.969402
"1274161"	256.085802	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Cl"	34.969402
"16593"	479.181406	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M-2H+K"	36.948606
"457247"	700.297806	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M-2H+K"	36.948606
"834807"	258.065006	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-2H+K"	36.948606
"1557442"	258.065006	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+K-2H"	36.948606
"943133"	266.114594	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-H+HCOOH"	44.998194
"365249"	487.231001	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+HCOOH-H"	44.998201
"351688"	501.246651	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+Hac-H"	59.013851
"1503806"	280.130251	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Hac-H"	59.013851
"965515"	288.096551	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-H+NaCOOH"	66.980151
"119890"	256.085802	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+2Cl"	69.938804
"559452"	366.644002	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+2Cl"	69.938804
"1027156"	145.527602	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2Cl"	69.938804
"1244907"	300.035285	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Br"	78.918885
"1306991"	302.091272	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Cl+HCOOH"	80.974872
"1322666"	324.073229	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Cl+NaCOOH"	102.956829
"913359"	334.101986	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M-H+CF3COOH"	112.985586
"1290429"	370.078664	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Cl+CF3COOH"	148.962264
"1367288"	186.103724	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H-2H2O"	-35.012676
"1384629"	204.1137	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H-H2O"	-17.0027
"284317"	443.240076	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+H"	1.007276
"675798"	664.356476	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+H"	1.007276
"1351989"	222.123676	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H"	1.007276
"126133"	222.123676	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+2H"	2.014552
"565892"	332.681876	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+2H"	2.014552
"1037742"	111.565476	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2H"	2.014552
"204707"	148.418209333333	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+3H"	3.021828
"644712"	222.123676	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+3H"	3.021828
"1163575"	74.7127426666667	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+3H"	3.021828
"424369"	460.266623	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+NH4"	18.033823
"786133"	681.383023	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+NH4"	18.033823
"1681739"	239.150223	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+NH4"	18.033823
"330629"	230.6369495	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+H+NH4"	19.041099
"723415"	341.1951495	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+H+NH4"	19.041099
"1477841"	120.0787495	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H+NH4"	19.041099
"394458"	465.222018	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+Na"	22.989218
"754642"	686.338418	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+Na"	22.989218
"1611578"	244.105618	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Na"	22.989218
"315782"	233.114647	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+H+Na"	23.996494
"714037"	343.672847	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+H+Na"	23.996494
"1467858"	122.556447	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H+Na"	23.996494
"1065482"	82.0400566666667	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2H+Na"	25.00377
"1266069"	254.149886	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+CH3OH+H"	33.033486
"386833"	481.195958	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+K"	38.963158
"747827"	702.312358	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+K"	38.963158
"1553892"	260.079558	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+K"	38.963158
"308151"	241.101617	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+H+K"	39.970434
"704947"	351.659817	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+H+K"	39.970434
"1458769"	130.543417	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H+K"	39.970434
"245181"	484.266626	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+ACN+H"	42.033826
"1218985"	263.150226	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+ACN+H"	42.033826
"1206879"	132.078751	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+ACN+2H"	43.041102
"200844"	487.20396	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+2Na-H"	44.97116
"642596"	708.32036	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+2Na-H"	44.97116
"1137716"	266.08756	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2Na-H"	44.97116
"178821"	244.105618	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+2Na"	45.978436
"617286"	354.663818	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+2Na"	45.978436
"1118971"	133.547418	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2Na"	45.978436
"1405410"	89.3673706666667	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H+2Na"	46.985712
"1432423"	268.129146	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H+HCOOH"	47.012746
"221754"	249.13864	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+3H2O+2H"	56.04448
"1509570"	282.18119	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+IsoProp+H"	61.06479
"409743"	252.092588	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+Na+K"	61.952376
"773778"	362.650788	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+Na+K"	61.952376
"1674483"	141.534388	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Na+K"	61.952376
"255532"	506.248568	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+ACN+Na"	64.015768
"1229696"	285.132168	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+ACN+Na"	64.015768
"1714207"	285.155693	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+NH4+HCOOH"	64.039293
"1182114"	96.6946846666667	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+3Na"	68.967654
"1652369"	290.111088	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Na+HCOOH"	68.994688
"161423"	519.15184	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+2K-H"	76.91904
"601347"	740.26824	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+2K-H"	76.91904
"1089870"	298.03544	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2K-H"	76.91904
"152164"	260.079558	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"2M+2K"	77.926316
"588444"	370.637758	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"3M+2K"	77.926316
"1075144"	149.521358	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2K"	77.926316
"1111635"	300.049992	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2K+H"	78.933592
"1340365"	300.137607	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+DMSO+H"	79.021207
"1014364"	304.176776	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2ACN+H"	83.060376
"1532486"	305.170408	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+IsoProp+Na+H"	84.054008
"997840"	152.592026	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+2ACN+2H"	84.067652
"1592343"	306.085028	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+K+HCOOH"	84.968628
"1416914"	336.116538	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+H+CF3COOH"	115.000138
"1150480"	173.105301	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+3ACN+2H"	125.094202
"1704406"	353.143085	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+NH4+CF3COOH"	132.026685
"1642244"	358.09848	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+Na+CF3COOH"	136.98208
"1572431"	374.07242	"C18668"	"Formetanate;Dicarzol"	"C11H15N3O2"	"221.1164"	"M+K+CF3COOH"	152.95602
"803892"	281.0851	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M"	0
"980704"	262.06671	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-H2O-H"	-19.01839
"75511"	186.382790666667	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M-3H"	-3.021828
"513976"	280.077824	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M-3H"	-3.021828
"894940"	92.6877573333333	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-3H"	-3.021828
"8166"	280.077824	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M-2H"	-2.014552
"447728"	420.620374	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M-2H"	-2.014552
"823344"	139.535274	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-2H"	-2.014552
"86619"	561.162924	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M-H"	-1.007276
"523992"	842.248024	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M-H"	-1.007276
"896813"	280.077824	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-H"	-1.007276
"51801"	578.189471	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M-2H+NH4"	16.019271
"496830"	859.274571	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M-2H+NH4"	16.019271
"876819"	297.104371	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-2H+NH4"	16.019271
"40346"	583.144866	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M-2H+Na"	20.974666
"481000"	864.229966	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M-2H+Na"	20.974666
"858802"	302.059766	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-2H+Na"	20.974666
"1623959"	302.059766	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Na-2H"	20.974666
"96113"	298.066163	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M-H+Cl"	33.962126
"535308"	438.608713	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M-H+Cl"	33.962126
"927731"	157.523613	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-H+Cl"	33.962126
"268473"	597.139602	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+Cl"	34.969402
"660286"	878.224702	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+Cl"	34.969402
"1274755"	316.054502	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Cl"	34.969402
"15893"	599.118806	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M-2H+K"	36.948606
"455939"	880.203906	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M-2H+K"	36.948606
"833703"	318.033706	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-2H+K"	36.948606
"1556823"	318.033706	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+K-2H"	36.948606
"942887"	326.083294	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-H+HCOOH"	44.998194
"361734"	607.168401	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+HCOOH-H"	44.998201
"351798"	621.184051	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+Hac-H"	59.013851
"1498082"	340.098951	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Hac-H"	59.013851
"964530"	348.065251	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-H+NaCOOH"	66.980151
"120000"	316.054502	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+2Cl"	69.938804
"559561"	456.597052	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+2Cl"	69.938804
"1029453"	175.511952	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2Cl"	69.938804
"1243924"	360.003985	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Br"	78.918885
"1306374"	362.059972	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Cl+HCOOH"	80.974872
"1321680"	384.041929	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Cl+NaCOOH"	102.956829
"913468"	394.070686	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M-H+CF3COOH"	112.985586
"1289202"	430.047364	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Cl+CF3COOH"	148.962264
"1367234"	246.072424	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H-2H2O"	-35.012676
"1383646"	264.0824	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H-H2O"	-17.0027
"284062"	563.177476	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+H"	1.007276
"675670"	844.262576	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+H"	1.007276
"1351357"	282.092376	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H"	1.007276
"125998"	282.092376	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+2H"	2.014552
"565883"	422.634926	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+2H"	2.014552
"1037611"	141.549826	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2H"	2.014552
"205022"	188.397342666667	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+3H"	3.021828
"644697"	282.092376	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+3H"	3.021828
"1163027"	94.7023093333333	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+3H"	3.021828
"424260"	580.204023	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+NH4"	18.033823
"785663"	861.289123	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+NH4"	18.033823
"1681298"	299.118923	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+NH4"	18.033823
"330737"	290.6056495	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+H+NH4"	19.041099
"723076"	431.1481995	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+H+NH4"	19.041099
"1478075"	150.0630995	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H+NH4"	19.041099
"394811"	585.159418	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+Na"	22.989218
"754713"	866.244518	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+Na"	22.989218
"1610595"	304.074318	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Na"	22.989218
"317351"	293.083347	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+H+Na"	23.996494
"716334"	433.625897	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+H+Na"	23.996494
"1469062"	152.540797	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H+Na"	23.996494
"1060125"	102.029623333333	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2H+Na"	25.00377
"1266179"	314.118586	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+CH3OH+H"	33.033486
"388036"	601.133358	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+K"	38.963158
"751216"	882.218458	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+K"	38.963158
"1552909"	320.048258	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+K"	38.963158
"311540"	301.070317	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+H+K"	39.970434
"705422"	441.612867	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+H+K"	39.970434
"1458877"	160.527767	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H+K"	39.970434
"245291"	604.204026	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+ACN+H"	42.033826
"1222742"	323.118926	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+ACN+H"	42.033826
"1208084"	162.063101	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+ACN+2H"	43.041102
"202778"	607.14136	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+2Na-H"	44.97116
"641975"	888.22646	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+2Na-H"	44.97116
"1134548"	326.05626	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2Na-H"	44.97116
"176382"	304.074318	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+2Na"	45.978436
"617763"	444.616868	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+2Na"	45.978436
"1126370"	163.531768	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2Na"	45.978436
"1402242"	109.356937333333	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H+2Na"	46.985712
"1433264"	328.097846	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H+HCOOH"	47.012746
"225145"	309.10734	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+3H2O+2H"	56.04448
"1512114"	342.14989	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+IsoProp+H"	61.06479
"411070"	312.061288	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+Na+K"	61.952376
"777169"	452.603838	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+Na+K"	61.952376
"1673500"	171.518738	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Na+K"	61.952376
"255644"	626.185968	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+ACN+Na"	64.015768
"1228713"	345.100868	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+ACN+Na"	64.015768
"1714317"	345.124393	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+NH4+HCOOH"	64.039293
"1181131"	116.684251333333	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+3Na"	68.967654
"1653573"	350.079788	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Na+HCOOH"	68.994688
"160439"	639.08924	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+2K-H"	76.91904
"600363"	920.17434	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+2K-H"	76.91904
"1088887"	358.00414	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2K-H"	76.91904
"150087"	320.048258	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"2M+2K"	77.926316
"589649"	460.590808	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"3M+2K"	77.926316
"1080723"	179.505708	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2K"	77.926316
"1112478"	360.018692	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2K+H"	78.933592
"1345943"	360.106307	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+DMSO+H"	79.021207
"1016661"	364.145476	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2ACN+H"	83.060376
"1532599"	365.139108	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+IsoProp+Na+H"	84.054008
"996859"	182.576376	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+2ACN+2H"	84.067652
"1593548"	366.053728	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+K+HCOOH"	84.968628
"1420303"	396.085238	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+H+CF3COOH"	115.000138
"1153871"	203.089651	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+3ACN+2H"	125.094202
"1706704"	413.111785	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+NH4+CF3COOH"	132.026685
"1642354"	418.06718	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+Na+CF3COOH"	136.98208
"1572541"	434.04112	"C18669"	"Propetamphos"	"C10H20NO4PS"	"281.0851"	"M+K+CF3COOH"	152.95602
"807282"	217.9655	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M"	0
"977534"	198.94711	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-H2O-H"	-19.01839
"74526"	144.303057333333	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M-3H"	-3.021828
"510804"	216.958224	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M-3H"	-3.021828
"894687"	71.6478906666667	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-3H"	-3.021828
"4995"	216.958224	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M-2H"	-2.014552
"447109"	325.940974	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M-2H"	-2.014552
"819809"	107.975474	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-2H"	-2.014552
"86729"	434.923724	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M-H"	-1.007276
"527383"	652.889224	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M-H"	-1.007276
"897166"	216.958224	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-H"	-1.007276
"50818"	451.950271	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M-2H+NH4"	16.019271
"496940"	669.915771	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M-2H+NH4"	16.019271
"873649"	233.984771	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-2H+NH4"	16.019271
"40456"	456.905666	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M-2H+Na"	20.974666
"482204"	674.871166	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M-2H+Na"	20.974666
"860005"	238.940166	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-2H+Na"	20.974666
"1625163"	238.940166	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Na-2H"	20.974666
"99504"	234.946563	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M-H+Cl"	33.962126
"537970"	343.929313	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M-H+Cl"	33.962126
"927546"	125.963813	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-H+Cl"	33.962126
"267486"	470.900402	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+Cl"	34.969402
"660637"	688.865902	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+Cl"	34.969402
"1273282"	252.934902	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Cl"	34.969402
"15956"	472.879606	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M-2H+K"	36.948606
"456012"	690.845106	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M-2H+K"	36.948606
"833446"	254.914106	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-2H+K"	36.948606
"1557545"	254.914106	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+K-2H"	36.948606
"943069"	262.963694	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-H+HCOOH"	44.998194
"361732"	480.929201	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+HCOOH-H"	44.998201
"350451"	494.944851	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+Hac-H"	59.013851
"1497099"	276.979351	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Hac-H"	59.013851
"961725"	284.945651	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-H+NaCOOH"	66.980151
"117924"	252.934902	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+2Cl"	69.938804
"558578"	361.917652	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+2Cl"	69.938804
"1027377"	143.952152	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2Cl"	69.938804
"1244034"	296.884385	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Br"	78.918885
"1306119"	298.940372	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Cl+HCOOH"	80.974872
"1322154"	320.922329	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Cl+NaCOOH"	102.956829
"912486"	330.951086	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M-H+CF3COOH"	112.985586
"1288947"	366.927764	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Cl+CF3COOH"	148.962264
"1367594"	182.952824	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H-2H2O"	-35.012676
"1383390"	200.9628	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H-H2O"	-17.0027
"283446"	436.938276	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+H"	1.007276
"676593"	654.903776	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+H"	1.007276
"1351478"	218.972776	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H"	1.007276
"125759"	218.972776	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+2H"	2.014552
"565800"	327.955526	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+2H"	2.014552
"1038572"	109.990026	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2H"	2.014552
"205012"	146.317609333333	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+3H"	3.021828
"644933"	218.972776	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+3H"	3.021828
"1162937"	73.6624426666667	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+3H"	3.021828
"424870"	453.964823	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+NH4"	18.033823
"785988"	671.930323	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+NH4"	18.033823
"1681466"	235.999323	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+NH4"	18.033823
"330482"	227.4860495	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+H+NH4"	19.041099
"723389"	336.4687995	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+H+NH4"	19.041099
"1479643"	118.5032995	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H+NH4"	19.041099
"394679"	458.920218	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+Na"	22.989218
"754741"	676.885718	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+Na"	22.989218
"1608518"	240.954718	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Na"	22.989218
"326212"	229.963747	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+H+Na"	23.996494
"715352"	338.946497	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+H+Na"	23.996494
"1475254"	120.980997	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H+Na"	23.996494
"1060235"	80.9897566666667	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2H+Na"	25.00377
"1267382"	250.998986	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+CH3OH+H"	33.033486
"387053"	474.894158	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+K"	38.963158
"750233"	692.859658	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+K"	38.963158
"1550103"	256.928658	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+K"	38.963158
"308371"	237.950717	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+H+K"	39.970434
"702980"	346.933467	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+H+K"	39.970434
"1460451"	128.967967	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H+K"	39.970434
"247590"	477.964826	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+ACN+H"	42.033826
"1220299"	259.999326	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+ACN+H"	42.033826
"1207100"	130.503301	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+ACN+2H"	43.041102
"202525"	480.90216	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+2Na-H"	44.97116
"642085"	698.86766	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+2Na-H"	44.97116
"1134654"	262.93666	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2Na-H"	44.97116
"177580"	240.954718	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+2Na"	45.978436
"614590"	349.937468	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+2Na"	45.978436
"1118095"	131.971968	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2Na"	45.978436
"1401984"	88.3170706666667	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H+2Na"	46.985712
"1432277"	264.978246	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H+HCOOH"	47.012746
"224528"	245.98774	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+3H2O+2H"	56.04448
"1510036"	279.03029	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+IsoProp+H"	61.06479
"411908"	248.941688	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+Na+K"	61.952376
"772904"	357.924438	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+Na+K"	61.952376
"1668507"	139.958938	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Na+K"	61.952376
"255023"	499.946768	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+ACN+Na"	64.015768
"1225907"	281.981268	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+ACN+Na"	64.015768
"1714792"	282.004793	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+NH4+HCOOH"	64.039293
"1179785"	95.6443846666667	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+3Na"	68.967654
"1653321"	286.960188	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Na+HCOOH"	68.994688
"159454"	512.85004	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+2K-H"	76.91904
"600109"	730.81554	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+2K-H"	76.91904
"1086809"	294.88454	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2K-H"	76.91904
"149104"	256.928658	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"2M+2K"	77.926316
"590852"	365.911408	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"3M+2K"	77.926316
"1077553"	147.945908	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2K"	77.926316
"1114043"	296.899092	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2K+H"	78.933592
"1344960"	296.986707	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+DMSO+H"	79.021207
"1015678"	301.025876	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2ACN+H"	83.060376
"1534897"	302.019508	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+IsoProp+Na+H"	84.054008
"998065"	151.016576	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+2ACN+2H"	84.067652
"1594755"	302.934128	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+K+HCOOH"	84.968628
"1425880"	332.965638	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+H+CF3COOH"	115.000138
"1155073"	171.529851	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+3ACN+2H"	125.094202
"1709001"	349.992185	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+NH4+CF3COOH"	132.026685
"1642464"	354.94758	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+Na+CF3COOH"	136.98208
"1571800"	370.92152	"C18670"	"Mercuric oxide"	"HgO"	"217.9655"	"M+K+CF3COOH"	152.95602
"802045"	240.0746	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M"	0
"978737"	221.05621	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-H2O-H"	-19.01839
"70260"	159.042457333333	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M-3H"	-3.021828
"510914"	239.067324	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M-3H"	-3.021828
"895039"	79.0175906666667	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-3H"	-3.021828
"5105"	239.067324	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M-2H"	-2.014552
"446855"	359.104624	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M-2H"	-2.014552
"818826"	119.030024	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-2H"	-2.014552
"79668"	479.141924	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M-H"	-1.007276
"518985"	719.216524	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M-H"	-1.007276
"896182"	239.067324	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-H"	-1.007276
"47642"	496.168471	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M-2H+NH4"	16.019271
"497050"	736.243071	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M-2H+NH4"	16.019271
"872666"	256.093871	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-2H+NH4"	16.019271
"38380"	501.123866	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M-2H+Na"	20.974666
"477939"	741.198466	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M-2H+Na"	20.974666
"860114"	261.049266	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-2H+Na"	20.974666
"1621262"	261.049266	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Na-2H"	20.974666
"100707"	257.055663	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M-H+Cl"	33.962126
"534961"	377.092963	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M-H+Cl"	33.962126
"927248"	137.018363	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-H+Cl"	33.962126
"267199"	515.118602	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+Cl"	34.969402
"660096"	755.193202	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+Cl"	34.969402
"1272885"	275.044002	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Cl"	34.969402
"15826"	517.097806	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M-2H+K"	36.948606
"455696"	757.172406	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M-2H+K"	36.948606
"832825"	277.023206	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-2H+K"	36.948606
"1555746"	277.023206	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+K-2H"	36.948606
"942918"	285.072794	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-H+HCOOH"	44.998194
"361923"	525.147401	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+HCOOH-H"	44.998201
"346913"	539.163051	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+Hac-H"	59.013851
"1496116"	299.088451	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Hac-H"	59.013851
"958748"	307.054751	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-H+NaCOOH"	66.980151
"112563"	275.044002	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+2Cl"	69.938804
"557594"	395.081302	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+2Cl"	69.938804
"1026027"	155.006702	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2Cl"	69.938804
"1241337"	318.993485	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Br"	78.918885
"1305985"	321.049472	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Cl+HCOOH"	80.974872
"1320194"	343.031429	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Cl+NaCOOH"	102.956829
"912470"	353.060186	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M-H+CF3COOH"	112.985586
"1289136"	389.036864	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Cl+CF3COOH"	148.962264
"1368555"	205.061924	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H-2H2O"	-35.012676
"1383492"	223.0719	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H-H2O"	-17.0027
"283673"	481.156476	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+H"	1.007276
"676209"	721.231076	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+H"	1.007276
"1351835"	241.081876	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H"	1.007276
"125941"	241.081876	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+2H"	2.014552
"566477"	361.119176	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+2H"	2.014552
"1039048"	121.044576	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2H"	2.014552
"205608"	161.057009333333	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+3H"	3.021828
"644597"	241.081876	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+3H"	3.021828
"1163167"	81.0321426666667	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+3H"	3.021828
"424982"	498.183023	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+NH4"	18.033823
"786468"	738.257623	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+NH4"	18.033823
"1682187"	258.108423	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+NH4"	18.033823
"331324"	249.5951495	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+H+NH4"	19.041099
"723293"	369.6324495	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+H+NH4"	19.041099
"1477440"	129.5578495	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H+NH4"	19.041099
"395154"	503.138418	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+Na"	22.989218
"755661"	743.213018	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+Na"	22.989218
"1604616"	263.063818	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Na"	22.989218
"315015"	252.072847	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+H+Na"	23.996494
"716555"	372.110147	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+H+Na"	23.996494
"1470380"	132.035547	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H+Na"	23.996494
"1059252"	88.3594566666667	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2H+Na"	25.00377
"1262024"	273.108086	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+CH3OH+H"	33.033486
"389347"	519.112358	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+K"	38.963158
"748156"	759.186958	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+K"	38.963158
"1550209"	279.037758	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+K"	38.963158
"307385"	260.059817	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+H+K"	39.970434
"700901"	380.097117	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+H+K"	39.970434
"1456911"	140.022517	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H+K"	39.970434
"242232"	522.183026	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+ACN+H"	42.033826
"1219316"	282.108426	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+ACN+H"	42.033826
"1204658"	141.557851	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+ACN+2H"	43.041102
"197168"	525.12036	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+2Na-H"	44.97116
"637822"	765.19496	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+2Na-H"	44.97116
"1135127"	285.04576	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2Na-H"	44.97116
"174774"	263.063818	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+2Na"	45.978436
"613360"	383.101118	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+2Na"	45.978436
"1116017"	143.026518	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2Na"	45.978436
"1399907"	95.6867706666667	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H+2Na"	46.985712
"1430929"	287.087346	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H+HCOOH"	47.012746
"224273"	268.09684	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+3H2O+2H"	56.04448
"1510510"	301.13939	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+IsoProp+H"	61.06479
"409465"	271.050788	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+Na+K"	61.952376
"773742"	391.088088	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+Na+K"	61.952376
"1667886"	151.013488	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Na+K"	61.952376
"252944"	544.164968	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+ACN+Na"	64.015768
"1225932"	304.090368	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+ACN+Na"	64.015768
"1713439"	304.113893	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+NH4+HCOOH"	64.039293
"1179279"	103.014084666667	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+3Na"	68.967654
"1651604"	309.069288	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Na+HCOOH"	68.994688
"157977"	557.06824	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+2K-H"	76.91904
"597903"	797.14284	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+2K-H"	76.91904
"1086186"	316.99364	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2K-H"	76.91904
"145931"	279.037758	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"2M+2K"	77.926316
"590960"	399.075058	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"3M+2K"	77.926316
"1075474"	159.000458	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2K"	77.926316
"1110872"	319.008192	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2K+H"	78.933592
"1346163"	319.095807	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+DMSO+H"	79.021207
"1015787"	323.134976	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2ACN+H"	83.060376
"1535007"	324.128608	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+IsoProp+Na+H"	84.054008
"997081"	162.071126	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+2ACN+2H"	84.067652
"1590491"	325.043228	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+K+HCOOH"	84.968628
"1419428"	355.074738	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+H+CF3COOH"	115.000138
"1155183"	182.584401	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+3ACN+2H"	125.094202
"1708017"	372.101285	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+NH4+CF3COOH"	132.026685
"1640387"	377.05668	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+Na+CF3COOH"	136.98208
"1571789"	393.03062	"C18671"	"Dinoterb"	"C10H12N2O5"	"240.0746"	"M+K+CF3COOH"	152.95602
"804220"	216.9941	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M"	0
"978847"	197.97571	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-H2O-H"	-19.01839
"71463"	143.655457333333	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M-3H"	-3.021828
"513211"	215.986824	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M-3H"	-3.021828
"895149"	71.3240906666667	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-3H"	-3.021828
"5215"	215.986824	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M-2H"	-2.014552
"446965"	324.483874	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M-2H"	-2.014552
"819300"	107.489774	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-2H"	-2.014552
"79656"	432.980924	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M-H"	-1.007276
"519701"	649.975024	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M-H"	-1.007276
"896414"	215.986824	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-H"	-1.007276
"49942"	450.007471	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M-2H+NH4"	16.019271
"497160"	667.001571	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M-2H+NH4"	16.019271
"873869"	233.013371	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-2H+NH4"	16.019271
"40677"	454.962866	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M-2H+Na"	20.974666
"476956"	671.956966	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M-2H+Na"	20.974666
"859131"	237.968766	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-2H+Na"	20.974666
"1621008"	237.968766	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Na-2H"	20.974666
"100817"	233.975163	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M-H+Cl"	33.962126
"535274"	342.472213	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M-H+Cl"	33.962126
"927445"	125.478113	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-H+Cl"	33.962126
"267704"	468.957602	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+Cl"	34.969402
"660496"	685.951702	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+Cl"	34.969402
"1273501"	251.963502	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Cl"	34.969402
"16673"	470.936806	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M-2H+K"	36.948606
"456221"	687.930906	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M-2H+K"	36.948606
"833535"	253.942706	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-2H+K"	36.948606
"1555937"	253.942706	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+K-2H"	36.948606
"943574"	261.992294	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-H+HCOOH"	44.998194
"363131"	478.986401	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+HCOOH-H"	44.998201
"347387"	493.002051	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+Hac-H"	59.013851
"1494030"	276.007951	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Hac-H"	59.013851
"958735"	283.974251	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-H+NaCOOH"	66.980151
"111577"	251.963502	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+2Cl"	69.938804
"552962"	360.460552	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+2Cl"	69.938804
"1025042"	143.466452	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2Cl"	69.938804
"1241944"	295.912985	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Br"	78.918885
"1307798"	297.968972	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Cl+HCOOH"	80.974872
"1320018"	319.950929	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Cl+NaCOOH"	102.956829
"912218"	329.979686	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M-H+CF3COOH"	112.985586
"1288679"	365.956364	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Cl+CF3COOH"	148.962264
"1367321"	181.981424	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H-2H2O"	-35.012676
"1383040"	199.9914	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H-H2O"	-17.0027
"283298"	434.995476	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+H"	1.007276
"675750"	651.989576	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+H"	1.007276
"1351741"	218.001376	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H"	1.007276
"126294"	218.001376	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+2H"	2.014552
"566340"	326.498426	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+2H"	2.014552
"1040616"	109.504326	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2H"	2.014552
"204501"	145.670009333333	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+3H"	3.021828
"645158"	218.001376	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+3H"	3.021828
"1163156"	73.3386426666667	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+3H"	3.021828
"425093"	452.022023	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+NH4"	18.033823
"786816"	669.016123	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+NH4"	18.033823
"1681694"	235.027923	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+NH4"	18.033823
"330171"	226.5146495	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+H+NH4"	19.041099
"724219"	335.0116995	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+H+NH4"	19.041099
"1477548"	118.0175995	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H+NH4"	19.041099
"393315"	456.977418	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+Na"	22.989218
"756262"	673.971518	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+Na"	22.989218
"1607644"	239.983318	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Na"	22.989218
"320962"	228.992347	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+H+Na"	23.996494
"717760"	337.489397	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+H+Na"	23.996494
"1472676"	120.495297	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H+Na"	23.996494
"1058268"	80.6659566666667	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2H+Na"	25.00377
"1263227"	250.027586	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+CH3OH+H"	33.033486
"390551"	472.951358	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+K"	38.963158
"746078"	689.945458	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+K"	38.963158
"1551412"	255.957258	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+K"	38.963158
"310776"	236.979317	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+H+K"	39.970434
"703197"	345.476367	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+H+K"	39.970434
"1449365"	128.482267	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H+K"	39.970434
"240153"	476.022026	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+ACN+H"	42.033826
"1212863"	259.027926	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+ACN+H"	42.033826
"1204403"	130.017601	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+ACN+2H"	43.041102
"198371"	478.95936	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+2Na-H"	44.97116
"637931"	695.95346	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+2Na-H"	44.97116
"1132322"	261.96526	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2Na-H"	44.97116
"174153"	239.983318	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+2Na"	45.978436
"613591"	348.480368	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+2Na"	45.978436
"1116491"	131.486268	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2Na"	45.978436
"1398712"	87.9932706666667	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H+2Na"	46.985712
"1430186"	264.006846	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H+HCOOH"	47.012746
"222193"	245.01634	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+3H2O+2H"	56.04448
"1508751"	278.05889	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+IsoProp+H"	61.06479
"408844"	247.970288	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+Na+K"	61.952376
"770570"	356.467338	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+Na+K"	61.952376
"1666166"	139.473238	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Na+K"	61.952376
"251833"	498.003968	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+ACN+Na"	64.015768
"1225717"	281.009868	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+ACN+Na"	64.015768
"1712833"	281.033393	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+NH4+HCOOH"	64.039293
"1178614"	95.3205846666667	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+3Na"	68.967654
"1650982"	285.988788	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Na+HCOOH"	68.994688
"157520"	510.90724	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+2K-H"	76.91904
"597404"	727.90134	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+2K-H"	76.91904
"1084303"	293.91314	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2K-H"	76.91904
"143853"	255.957258	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"2M+2K"	77.926316
"587789"	364.454308	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"3M+2K"	77.926316
"1072303"	147.460208	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2K"	77.926316
"1110981"	295.927692	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2K+H"	78.933592
"1344086"	296.015307	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+DMSO+H"	79.021207
"1014803"	300.054476	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2ACN+H"	83.060376
"1530742"	301.048108	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+IsoProp+Na+H"	84.054008
"997191"	150.530876	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+2ACN+2H"	84.067652
"1591694"	301.962728	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+K+HCOOH"	84.968628
"1417352"	331.994238	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+H+CF3COOH"	115.000138
"1150920"	171.044151	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+3ACN+2H"	125.094202
"1704847"	349.020785	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+NH4+CF3COOH"	132.026685
"1639404"	353.97618	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+Na+CF3COOH"	136.98208
"1573965"	369.95012	"C18672"	"Methylmercury;Methylmercury ion;CH3Hg"	"CH3Hg"	"216.9941"	"M+K+CF3COOH"	152.95602
"817032"	48.9928	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M"	0
"989856"	29.97441	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-H2O-H"	-19.01839
"73762"	31.6545906666667	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M-3H"	-3.021828
"518465"	47.985524	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M-3H"	-3.021828
"895574"	15.3236573333333	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-3H"	-3.021828
"3143"	47.985524	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M-2H"	-2.014552
"445984"	72.481924	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M-2H"	-2.014552
"821599"	23.489124	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-2H"	-2.014552
"88155"	96.978324	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M-H"	-1.007276
"522246"	145.971124	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M-H"	-1.007276
"904434"	47.985524	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-H"	-1.007276
"52246"	114.004871	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M-2H+NH4"	16.019271
"495087"	162.997671	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M-2H+NH4"	16.019271
"867421"	65.012071	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-2H+NH4"	16.019271
"33499"	118.960266	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M-2H+Na"	20.974666
"481443"	167.953066	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M-2H+Na"	20.974666
"855966"	69.967466	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-2H+Na"	20.974666
"1630962"	69.967466	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Na-2H"	20.974666
"103121"	65.973863	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M-H+Cl"	33.962126
"544864"	90.470263	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M-H+Cl"	33.962126
"928290"	41.477463	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-H+Cl"	33.962126
"276572"	132.955002	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+Cl"	34.969402
"663891"	181.947802	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+Cl"	34.969402
"1280673"	83.962202	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Cl"	34.969402
"19216"	134.934206	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M-2H+K"	36.948606
"459504"	183.927006	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M-2H+K"	36.948606
"838762"	85.941406	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-2H+K"	36.948606
"1557145"	85.941406	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+K-2H"	36.948606
"944300"	93.990994	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-H+HCOOH"	44.998194
"365805"	142.983801	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+HCOOH-H"	44.998201
"348598"	156.999451	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+Hac-H"	59.013851
"1495245"	108.006651	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Hac-H"	59.013851
"958615"	115.972951	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-H+NaCOOH"	66.980151
"110836"	83.962202	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+2Cl"	69.938804
"553803"	108.458602	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+2Cl"	69.938804
"1024791"	59.465802	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2Cl"	69.938804
"1243275"	127.911685	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Br"	78.918885
"1305354"	129.967672	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Cl+HCOOH"	80.974872
"1321394"	151.949629	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Cl+NaCOOH"	102.956829
"912207"	161.978386	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M-H+CF3COOH"	112.985586
"1289526"	197.955064	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Cl+CF3COOH"	148.962264
"1368053"	13.980124	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H-2H2O"	-35.012676
"1384090"	31.9901	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H-H2O"	-17.0027
"283534"	98.992876	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+H"	1.007276
"679482"	147.985676	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+H"	1.007276
"1351938"	50.000076	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H"	1.007276
"126776"	50.000076	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+2H"	2.014552
"567186"	74.496476	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+2H"	2.014552
"1038297"	25.503676	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2H"	2.014552
"204981"	33.6691426666667	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+3H"	3.021828
"644334"	50.000076	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+3H"	3.021828
"1165220"	17.3382093333333	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+3H"	3.021828
"424258"	116.019423	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+NH4"	18.033823
"785710"	165.012223	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+NH4"	18.033823
"1681603"	67.026623	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+NH4"	18.033823
"332639"	58.5133495	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+H+NH4"	19.041099
"725060"	83.0097495	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+H+NH4"	19.041099
"1477031"	34.0169495	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H+NH4"	19.041099
"393225"	120.974818	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+Na"	22.989218
"756736"	169.967618	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+Na"	22.989218
"1604954"	71.982018	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Na"	22.989218
"317790"	60.991047	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+H+Na"	23.996494
"714588"	85.487447	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+H+Na"	23.996494
"1471691"	36.494647	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H+Na"	23.996494
"1064937"	24.6655233333333	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2H+Na"	25.00377
"1262242"	82.026286	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+CH3OH+H"	33.033486
"389934"	136.948758	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+K"	38.963158
"748381"	185.941558	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+K"	38.963158
"1550434"	87.955958	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+K"	38.963158
"309795"	68.978017	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+H+K"	39.970434
"703311"	93.474417	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+H+K"	39.970434
"1453850"	44.481617	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H+K"	39.970434
"244638"	140.019426	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+ACN+H"	42.033826
"1217348"	91.026626	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+ACN+H"	42.033826
"1204514"	46.016951	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+ACN+2H"	43.041102
"200670"	142.95676	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+2Na-H"	44.97116
"631115"	191.94956	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+2Na-H"	44.97116
"1132065"	93.96396	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2Na-H"	44.97116
"174992"	71.982018	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+2Na"	45.978436
"613450"	96.478418	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+2Na"	45.978436
"1116111"	47.485618	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2Na"	45.978436
"1399025"	31.9928373333333	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H+2Na"	46.985712
"1432242"	96.005546	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H+HCOOH"	47.012746
"223762"	77.01504	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+3H2O+2H"	56.04448
"1510366"	110.05759	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+IsoProp+H"	61.06479
"412605"	79.968988	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+Na+K"	61.952376
"775422"	104.465388	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+Na+K"	61.952376
"1669931"	55.472588	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Na+K"	61.952376
"253895"	162.001368	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+ACN+Na"	64.015768
"1226354"	113.008568	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+ACN+Na"	64.015768
"1712931"	113.032093	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+NH4+HCOOH"	64.039293
"1179137"	39.3201513333333	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+3Na"	68.967654
"1649917"	117.987488	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Na+HCOOH"	68.994688
"159791"	174.90464	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+2K-H"	76.91904
"601537"	223.89744	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+2K-H"	76.91904
"1087144"	125.91184	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2K-H"	76.91904
"142870"	87.955958	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"2M+2K"	77.926316
"592646"	112.452358	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"3M+2K"	77.926316
"1080071"	63.459558	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2K"	77.926316
"1111094"	127.926392	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2K+H"	78.933592
"1345293"	128.014007	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+DMSO+H"	79.021207
"1014917"	132.053176	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2ACN+H"	83.060376
"1534133"	133.046808	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+IsoProp+Na+H"	84.054008
"997302"	66.530226	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+2ACN+2H"	84.067652
"1592896"	133.961428	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+K+HCOOH"	84.968628
"1424027"	163.992938	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+H+CF3COOH"	115.000138
"1156501"	87.043501	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+3ACN+2H"	125.094202
"1709334"	181.019485	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+NH4+CF3COOH"	132.026685
"1642798"	185.97488	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+Na+CF3COOH"	136.98208
"1574075"	201.94882	"C18673"	"Sodium cyanide"	"NaCN"	"48.9928"	"M+K+CF3COOH"	152.95602
"802254"	253.735	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M"	0
"974332"	234.71661	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-H2O-H"	-19.01839
"64029"	168.149390666667	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M-3H"	-3.021828
"504683"	252.727724	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M-3H"	-3.021828
"885766"	83.5710573333333	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-3H"	-3.021828
"9811"	252.727724	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M-2H"	-2.014552
"449372"	379.595224	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M-2H"	-2.014552
"818428"	125.860224	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-2H"	-2.014552
"88265"	506.462724	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M-H"	-1.007276
"521262"	760.197724	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M-H"	-1.007276
"903451"	252.727724	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-H"	-1.007276
"55636"	523.489271	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M-2H+NH4"	16.019271
"493010"	777.224271	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M-2H+NH4"	16.019271
"878104"	269.754271	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-2H+NH4"	16.019271
"34703"	528.444666	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M-2H+Na"	20.974666
"480459"	782.179666	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M-2H+Na"	20.974666
"858262"	274.709666	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-2H+Na"	20.974666
"1627792"	274.709666	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Na-2H"	20.974666
"104323"	270.716063	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M-H+Cl"	33.962126
"544974"	397.583563	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M-H+Cl"	33.962126
"928523"	143.848563	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-H+Cl"	33.962126
"277047"	542.439402	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+Cl"	34.969402
"667283"	796.174402	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+Cl"	34.969402
"1280783"	288.704402	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Cl"	34.969402
"23337"	544.418606	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M-2H+K"	36.948606
"459980"	798.153606	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M-2H+K"	36.948606
"838509"	290.683606	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-2H+K"	36.948606
"1556283"	290.683606	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+K-2H"	36.948606
"948786"	298.733194	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-H+HCOOH"	44.998194
"368102"	552.468201	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+HCOOH-H"	44.998201
"349072"	566.483851	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+Hac-H"	59.013851
"1494626"	312.748851	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Hac-H"	59.013851
"958709"	320.715151	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-H+NaCOOH"	66.980151
"110156"	288.704402	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+2Cl"	69.938804
"551722"	415.571902	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+2Cl"	69.938804
"1022711"	161.836902	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2Cl"	69.938804
"1242047"	332.653885	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Br"	78.918885
"1304979"	334.709872	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Cl+HCOOH"	80.974872
"1321141"	356.691829	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Cl+NaCOOH"	102.956829
"911831"	366.720586	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M-H+CF3COOH"	112.985586
"1289270"	402.697264	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Cl+CF3COOH"	148.962264
"1367094"	218.722324	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H-2H2O"	-35.012676
"1383106"	236.7323	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H-H2O"	-17.0027
"283027"	508.477276	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+H"	1.007276
"676187"	762.212276	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+H"	1.007276
"1351369"	254.742276	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H"	1.007276
"126273"	254.742276	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+2H"	2.014552
"565900"	381.609776	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+2H"	2.014552
"1039379"	127.874776	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2H"	2.014552
"204315"	170.163942666667	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+3H"	3.021828
"644394"	254.742276	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+3H"	3.021828
"1162797"	85.5856093333334	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+3H"	3.021828
"424497"	525.503823	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+NH4"	18.033823
"785858"	779.238823	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+NH4"	18.033823
"1681421"	271.768823	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+NH4"	18.033823
"330147"	263.2555495	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+H+NH4"	19.041099
"723138"	390.1230495	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+H+NH4"	19.041099
"1477275"	136.3880495	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H+NH4"	19.041099
"392843"	530.459218	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+Na"	22.989218
"755753"	784.194218	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+Na"	22.989218
"1605673"	276.724218	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Na"	22.989218
"321181"	265.733247	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+H+Na"	23.996494
"715790"	392.600747	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+H+Na"	23.996494
"1465236"	138.865747	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H+Na"	23.996494
"1057390"	92.9129233333333	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2H+Na"	25.00377
"1263445"	286.768486	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+CH3OH+H"	33.033486
"389680"	546.433158	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+K"	38.963158
"748491"	800.168158	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+K"	38.963158
"1550544"	292.698158	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+K"	38.963158
"307719"	273.720217	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+H+K"	39.970434
"701234"	400.587717	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+H+K"	39.970434
"1452867"	146.852717	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H+K"	39.970434
"242561"	549.503826	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+ACN+H"	42.033826
"1217822"	295.768826	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+ACN+H"	42.033826
"1204624"	148.388051	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+ACN+2H"	43.041102
"201873"	552.44116	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+2Na-H"	44.97116
"632683"	806.17616	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+2Na-H"	44.97116
"1131931"	298.70616	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2Na-H"	44.97116
"175223"	276.724218	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+2Na"	45.978436
"614904"	403.591718	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+2Na"	45.978436
"1115773"	149.856718	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2Na"	45.978436
"1398896"	100.240237333333	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H+2Na"	46.985712
"1432352"	300.747746	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H+HCOOH"	47.012746
"224237"	281.75724	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+3H2O+2H"	56.04448
"1513757"	314.79979	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+IsoProp+H"	61.06479
"411621"	284.711188	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+Na+K"	61.952376
"772617"	411.578688	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+Na+K"	61.952376
"1669677"	157.843688	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Na+K"	61.952376
"254005"	571.485768	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+ACN+Na"	64.015768
"1226059"	317.750768	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+ACN+Na"	64.015768
"1712768"	317.774293	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+NH4+HCOOH"	64.039293
"1178635"	107.567551333333	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+3Na"	68.967654
"1649877"	322.729688	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Na+HCOOH"	68.994688
"158808"	584.38904	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+2K-H"	76.91904
"600554"	838.12404	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+2K-H"	76.91904
"1085797"	330.65404	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2K-H"	76.91904
"142249"	292.698158	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"2M+2K"	77.926316
"594939"	419.565658	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"3M+2K"	77.926316
"1081276"	165.830658	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2K"	77.926316
"1111204"	332.668592	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2K+H"	78.933592
"1346496"	332.756207	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+DMSO+H"	79.021207
"1015027"	336.795376	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2ACN+H"	83.060376
"1533150"	337.789008	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+IsoProp+Na+H"	84.054008
"997412"	168.901326	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+2ACN+2H"	84.067652
"1593006"	338.703628	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+K+HCOOH"	84.968628
"1420856"	368.735138	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+H+CF3COOH"	115.000138
"1156611"	189.414601	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+3ACN+2H"	125.094202
"1708349"	385.761685	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+NH4+CF3COOH"	132.026685
"1642908"	390.71708	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+Na+CF3COOH"	136.98208
"1574185"	406.69102	"C18674"	"Zinc phosphide"	"Zn3P2"	"253.735"	"M+K+CF3COOH"	152.95602
"801715"	77.0277	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M"	0
"978084"	58.00931	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-H2O-H"	-19.01839
"70700"	50.344524	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M-3H"	-3.021828
"508073"	76.020424	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M-3H"	-3.021828
"891343"	24.668624	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-3H"	-3.021828
"13204"	76.020424	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M-2H"	-2.014552
"451305"	114.534274	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M-2H"	-2.014552
"819631"	37.506574	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-2H"	-2.014552
"88375"	153.048124	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M-H"	-1.007276
"523559"	230.075824	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M-H"	-1.007276
"904654"	76.020424	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-H"	-1.007276
"51373"	170.074671	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M-2H+NH4"	16.019271
"497493"	247.102371	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M-2H+NH4"	16.019271
"876027"	93.046971	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-2H+NH4"	16.019271
"37730"	175.030066	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M-2H+Na"	20.974666
"481663"	252.057766	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M-2H+Na"	20.974666
"858372"	98.002366	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-2H+Na"	20.974666
"1627902"	98.002366	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Na-2H"	20.974666
"104433"	94.008763	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M-H+Cl"	33.962126
"545084"	132.522613	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M-H+Cl"	33.962126
"927254"	55.494913	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-H+Cl"	33.962126
"274971"	189.024802	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+Cl"	34.969402
"668487"	266.052502	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+Cl"	34.969402
"1280893"	111.997102	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Cl"	34.969402
"22354"	191.004006	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M-2H+K"	36.948606
"461913"	268.031706	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M-2H+K"	36.948606
"838619"	113.976306	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-2H+K"	36.948606
"1557001"	113.976306	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+K-2H"	36.948606
"946710"	122.025894	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-H+HCOOH"	44.998194
"365295"	199.053601	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+HCOOH-H"	44.998201
"352098"	213.069251	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+Hac-H"	59.013851
"1494493"	136.041551	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Hac-H"	59.013851
"958593"	144.007851	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-H+NaCOOH"	66.980151
"110812"	111.997102	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+2Cl"	69.938804
"550374"	150.510952	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+2Cl"	69.938804
"1021887"	73.483252	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2Cl"	69.938804
"1242038"	155.946585	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Br"	78.918885
"1304844"	158.002572	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Cl+HCOOH"	80.974872
"1320886"	179.984529	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Cl+NaCOOH"	102.956829
"912307"	190.013286	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M-H+CF3COOH"	112.985586
"1289137"	225.989964	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Cl+CF3COOH"	148.962264
"1367904"	42.015024	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H-2H2O"	-35.012676
"1383219"	60.025	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H-H2O"	-17.0027
"282909"	155.062676	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+H"	1.007276
"675759"	232.090376	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+H"	1.007276
"1351712"	78.034976	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H"	1.007276
"125746"	78.034976	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+2H"	2.014552
"565757"	116.548826	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+2H"	2.014552
"1041676"	39.521126	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2H"	2.014552
"204834"	52.359076	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+3H"	3.021828
"645855"	78.034976	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+3H"	3.021828
"1162996"	26.683176	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+3H"	3.021828
"424813"	172.089223	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+NH4"	18.033823
"785851"	249.116923	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+NH4"	18.033823
"1681343"	95.061523	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+NH4"	18.033823
"330097"	86.5482495	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+H+NH4"	19.041099
"723085"	125.0620995	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+H+NH4"	19.041099
"1477231"	48.0343995	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H+NH4"	19.041099
"393649"	177.044618	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+Na"	22.989218
"756956"	254.072318	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+Na"	22.989218
"1609068"	100.016918	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Na"	22.989218
"318011"	89.025947	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+H+Na"	23.996494
"715901"	127.539797	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+H+Na"	23.996494
"1468631"	50.512097	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H+Na"	23.996494
"1058595"	34.01049	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2H+Na"	25.00377
"1263551"	110.061186	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+CH3OH+H"	33.033486
"386507"	193.018558	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+K"	38.963158
"743126"	270.046258	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+K"	38.963158
"1548467"	115.990858	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+K"	38.963158
"306735"	97.012917	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+H+K"	39.970434
"696970"	135.526767	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+H+K"	39.970434
"1450789"	58.499067	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H+K"	39.970434
"244858"	196.089226	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+ACN+H"	42.033826
"1220846"	119.061526	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+ACN+H"	42.033826
"1197075"	60.034401	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+ACN+2H"	43.041102
"197968"	199.02656	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+2Na-H"	44.97116
"640084"	276.05426	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+2Na-H"	44.97116
"1131758"	121.99886	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2Na-H"	44.97116
"173629"	100.016918	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+2Na"	45.978436
"620607"	138.530768	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+2Na"	45.978436
"1116334"	61.503068	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2Na"	45.978436
"1406178"	41.337804	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H+2Na"	46.985712
"1432825"	124.040446	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H+HCOOH"	47.012746
"220070"	105.04994	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+3H2O+2H"	56.04448
"1512773"	138.09249	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+IsoProp+H"	61.06479
"409909"	108.003888	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+Na+K"	61.952376
"771996"	146.517738	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+Na+K"	61.952376
"1670878"	69.490038	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Na+K"	61.952376
"253386"	218.071168	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+ACN+Na"	64.015768
"1225843"	141.043468	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+ACN+Na"	64.015768
"1717902"	141.066993	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+NH4+HCOOH"	64.039293
"1183255"	48.665118	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+3Na"	68.967654
"1650347"	146.022388	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Na+HCOOH"	68.994688
"162198"	230.97444	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+2K-H"	76.91904
"600664"	308.00214	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+2K-H"	76.91904
"1088459"	153.94674	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2K-H"	76.91904
"154761"	115.990858	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"2M+2K"	77.926316
"594319"	154.504708	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"3M+2K"	77.926316
"1079199"	77.477008	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2K"	77.926316
"1109857"	155.961292	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2K+H"	78.933592
"1343326"	156.048907	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+DMSO+H"	79.021207
"1014044"	160.088076	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2ACN+H"	83.060376
"1532166"	161.081708	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+IsoProp+Na+H"	84.054008
"999709"	80.547676	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+2ACN+2H"	84.067652
"1595305"	161.996328	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+K+HCOOH"	84.968628
"1420965"	192.027838	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+H+CF3COOH"	115.000138
"1160002"	101.060951	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+3ACN+2H"	125.094202
"1705180"	209.054385	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+NH4+CF3COOH"	132.026685
"1640829"	214.00978	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+Na+CF3COOH"	136.98208
"1575386"	229.98372	"C18675"	"Fluoroacetamide"	"C2H4FNO"	"77.0277"	"M+K+CF3COOH"	152.95602
"804661"	110.0135	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M"	0
"981474"	90.99511	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-H2O-H"	-19.01839
"69717"	72.3350573333333	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M-3H"	-3.021828
"508183"	109.006224	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M-3H"	-3.021828
"884892"	35.6638906666667	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-3H"	-3.021828
"13314"	109.006224	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M-2H"	-2.014552
"451415"	164.012974	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M-2H"	-2.014552
"819741"	53.999474	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-2H"	-2.014552
"89578"	219.019724	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M-H"	-1.007276
"528044"	329.033224	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M-H"	-1.007276
"908045"	109.006224	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-H"	-1.007276
"53671"	236.046271	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M-2H+NH4"	16.019271
"493596"	346.059771	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M-2H+NH4"	16.019271
"876137"	126.032771	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-2H+NH4"	16.019271
"41120"	241.001666	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M-2H+Na"	20.974666
"483960"	351.015166	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M-2H+Na"	20.974666
"856294"	130.988166	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-2H+Na"	20.974666
"1626919"	130.988166	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Na-2H"	20.974666
"103449"	126.994563	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M-H+Cl"	33.962126
"544101"	182.001313	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M-H+Cl"	33.962126
"927407"	71.987813	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-H+Cl"	33.962126
"272893"	254.996402	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+Cl"	34.969402
"671877"	365.009902	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+Cl"	34.969402
"1284283"	144.982902	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Cl"	34.969402
"29634"	256.975606	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M-2H+K"	36.948606
"465304"	366.989106	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M-2H+K"	36.948606
"837271"	146.962106	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-2H+K"	36.948606
"1557111"	146.962106	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+K-2H"	36.948606
"949007"	155.011694	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-H+HCOOH"	44.998194
"365042"	265.025201	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+HCOOH-H"	44.998201
"352209"	279.040851	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+Hac-H"	59.013851
"1496669"	169.027351	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Hac-H"	59.013851
"958776"	176.993651	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-H+NaCOOH"	66.980151
"110436"	144.982902	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+2Cl"	69.938804
"550165"	199.989652	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+2Cl"	69.938804
"1021955"	89.976152	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2Cl"	69.938804
"1242513"	188.932385	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Br"	78.918885
"1304959"	190.988372	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Cl+HCOOH"	80.974872
"1320999"	212.970329	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Cl+NaCOOH"	102.956829
"912055"	222.999086	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M-H+CF3COOH"	112.985586
"1289130"	258.975764	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Cl+CF3COOH"	148.962264
"1368015"	75.000824	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H-2H2O"	-35.012676
"1383007"	93.0108	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H-H2O"	-17.0027
"283173"	221.034276	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+H"	1.007276
"675753"	331.047776	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+H"	1.007276
"1351542"	111.020776	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H"	1.007276
"126489"	111.020776	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+2H"	2.014552
"566170"	166.027526	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+2H"	2.014552
"1041786"	56.014026	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2H"	2.014552
"208592"	74.3496093333333	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+3H"	3.021828
"645113"	111.020776	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+3H"	3.021828
"1163153"	37.6784426666667	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+3H"	3.021828
"425168"	238.060823	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+NH4"	18.033823
"785966"	348.074323	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+NH4"	18.033823
"1681445"	128.047323	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+NH4"	18.033823
"330657"	119.5340495	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+H+NH4"	19.041099
"723200"	174.5407995	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+H+NH4"	19.041099
"1478239"	64.5272995	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H+NH4"	19.041099
"395705"	243.016218	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+Na"	22.989218
"758523"	353.029718	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+Na"	22.989218
"1609178"	133.002718	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Na"	22.989218
"318848"	122.011747	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+H+Na"	23.996494
"712731"	177.018497	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+H+Na"	23.996494
"1467645"	67.004997	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H+Na"	23.996494
"1059794"	45.0057566666667	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2H+Na"	25.00377
"1262564"	143.046986	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+CH3OH+H"	33.033486
"386611"	258.990158	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+K"	38.963158
"744328"	369.003658	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+K"	38.963158
"1550762"	148.976658	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+K"	38.963158
"305751"	129.998717	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+H+K"	39.970434
"695986"	185.005467	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+H+K"	39.970434
"1448712"	74.991967	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H+K"	39.970434
"242780"	262.060826	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+ACN+H"	42.033826
"1219862"	152.047326	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+ACN+H"	42.033826
"1198278"	76.527301	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+ACN+2H"	43.041102
"197714"	264.99816	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+2Na-H"	44.97116
"640921"	375.01166	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+2Na-H"	44.97116
"1133493"	154.98466	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2Na-H"	44.97116
"173862"	133.002718	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+2Na"	45.978436
"621446"	188.009468	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+2Na"	45.978436
"1120213"	77.995968	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2Na"	45.978436
"1401185"	52.3330706666667	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H+2Na"	46.985712
"1430990"	157.026246	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H+HCOOH"	47.012746
"220103"	138.03574	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+3H2O+2H"	56.04448
"1509843"	171.07829	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+IsoProp+H"	61.06479
"410748"	140.989688	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+Na+K"	61.952376
"770041"	195.996438	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+Na+K"	61.952376
"1670988"	85.982938	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Na+K"	61.952376
"251413"	284.042768	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+ACN+Na"	64.015768
"1225679"	174.029268	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+ACN+Na"	64.015768
"1716918"	174.052793	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+NH4+HCOOH"	64.039293
"1178630"	59.6603846666667	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+3Na"	68.967654
"1651063"	179.008188	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Na+HCOOH"	68.994688
"159028"	296.94604	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+2K-H"	76.91904
"600045"	406.95954	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+2K-H"	76.91904
"1085288"	186.93254	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2K-H"	76.91904
"150861"	148.976658	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"2M+2K"	77.926316
"586046"	203.983408	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"3M+2K"	77.926316
"1076028"	93.969908	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2K"	77.926316
"1105958"	188.947092	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2K+H"	78.933592
"1341249"	189.034707	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+DMSO+H"	79.021207
"1008685"	193.073876	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2ACN+H"	83.060376
"1528997"	194.067508	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+IsoProp+Na+H"	84.054008
"996539"	97.040576	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+2ACN+2H"	84.067652
"1592133"	194.982128	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+K+HCOOH"	84.968628
"1421075"	225.013638	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+H+CF3COOH"	115.000138
"1156831"	117.553851	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+3ACN+2H"	125.094202
"1702010"	242.040185	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+NH4+CF3COOH"	132.026685
"1639846"	246.99558	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+Na+CF3COOH"	136.98208
"1573309"	262.96952	"C18676"	"alpha-Chlorohydrin;3-Monochloro-12-propanediol"	"C3H7ClO2"	"110.0135"	"M+K+CF3COOH"	152.95602
"804771"	333.8921	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M"	0
"978304"	314.87371	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-H2O-H"	-19.01839
"69827"	221.587457333333	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M-3H"	-3.021828
"508293"	332.884824	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M-3H"	-3.021828
"885002"	110.290090666667	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-3H"	-3.021828
"10144"	332.884824	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M-2H"	-2.014552
"452983"	499.830874	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M-2H"	-2.014552
"822038"	165.938774	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-2H"	-2.014552
"88595"	666.776924	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M-H"	-1.007276
"527061"	1000.669024	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M-H"	-1.007276
"909977"	332.884824	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-H"	-1.007276
"62048"	683.803471	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M-2H+NH4"	16.019271
"501845"	1017.695571	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M-2H+NH4"	16.019271
"878804"	349.911371	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-2H+NH4"	16.019271
"43414"	688.758866	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M-2H+Na"	20.974666
"486259"	1022.650966	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M-2H+Na"	20.974666
"856404"	354.866766	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-2H+Na"	20.974666
"1630309"	354.866766	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Na-2H"	20.974666
"104652"	350.873163	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M-H+Cl"	33.962126
"544211"	517.819213	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M-H+Cl"	33.962126
"927638"	183.927113	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-H+Cl"	33.962126
"271910"	702.753602	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+Cl"	34.969402
"671987"	1036.645702	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+Cl"	34.969402
"1285486"	368.861502	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Cl"	34.969402
"29865"	704.732806	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M-2H+K"	36.948606
"467600"	1038.624906	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M-2H+K"	36.948606
"838110"	370.840706	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-2H+K"	36.948606
"1556127"	370.840706	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+K-2H"	36.948606
"950210"	378.890294	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-H+HCOOH"	44.998194
"366245"	712.782401	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+HCOOH-H"	44.998201
"353412"	726.798051	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+Hac-H"	59.013851
"1502245"	392.905951	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Hac-H"	59.013851
"958852"	400.872251	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-H+NaCOOH"	66.980151
"111400"	368.861502	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+2Cl"	69.938804
"552788"	535.807552	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+2Cl"	69.938804
"1025961"	201.915452	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2Cl"	69.938804
"1248820"	412.810985	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Br"	78.918885
"1307622"	414.866972	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Cl+HCOOH"	80.974872
"1324390"	436.848929	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Cl+NaCOOH"	102.956829
"915447"	446.877686	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M-H+CF3COOH"	112.985586
"1293249"	482.854364	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Cl+CF3COOH"	148.962264
"1372503"	298.879424	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H-2H2O"	-35.012676
"1384170"	316.8894	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H-H2O"	-17.0027
"285311"	668.791476	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+H"	1.007276
"677368"	1002.683576	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+H"	1.007276
"1351895"	334.899376	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H"	1.007276
"125789"	334.899376	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+2H"	2.014552
"565842"	501.845426	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+2H"	2.014552
"1039709"	167.953326	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2H"	2.014552
"208702"	223.602009333333	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+3H"	3.021828
"646075"	334.899376	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+3H"	3.021828
"1162936"	112.304642666667	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+3H"	3.021828
"424587"	685.818023	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+NH4"	18.033823
"786157"	1019.710123	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+NH4"	18.033823
"1681310"	351.925923	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+NH4"	18.033823
"331621"	343.4126495	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+H+NH4"	19.041099
"723190"	510.3586995	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+H+NH4"	19.041099
"1480415"	176.4665995	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H+NH4"	19.041099
"395815"	690.773418	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+Na"	22.989218
"758998"	1024.665518	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+Na"	22.989218
"1609288"	356.881318	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Na"	22.989218
"317500"	345.890347	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+H+Na"	23.996494
"711748"	512.836397	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+H+Na"	23.996494
"1466662"	178.944297	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H+Na"	23.996494
"1056625"	119.631956666667	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2H+Na"	25.00377
"1259395"	366.925586	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+CH3OH+H"	33.033486
"383442"	706.747358	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+K"	38.963158
"743338"	1040.639458	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+K"	38.963158
"1549777"	372.855258	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+K"	38.963158
"308047"	353.877317	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+H+K"	39.970434
"696096"	520.823367	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+H+K"	39.970434
"1449915"	186.931267	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H+K"	39.970434
"239610"	709.818026	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+ACN+H"	42.033826
"1216692"	375.925926	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+ACN+H"	42.033826
"1195836"	188.466601	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+ACN+2H"	43.041102
"192721"	712.75536	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+2Na-H"	44.97116
"637386"	1046.64746	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+2Na-H"	44.97116
"1135789"	378.86326	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2Na-H"	44.97116
"174581"	356.881318	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+2Na"	45.978436
"616086"	523.827368	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+2Na"	45.978436
"1119957"	189.935268	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2Na"	45.978436
"1398854"	126.959270666667	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H+2Na"	46.985712
"1435234"	380.904846	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H+HCOOH"	47.012746
"220181"	361.91434	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+3H2O+2H"	56.04448
"1508519"	394.95689	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+IsoProp+H"	61.06479
"409154"	364.868288	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+Na+K"	61.952376
"770213"	531.814338	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+Na+K"	61.952376
"1665652"	197.922238	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Na+K"	61.952376
"251575"	731.799968	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+ACN+Na"	64.015768
"1225750"	397.907868	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+ACN+Na"	64.015768
"1714842"	397.931393	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+NH4+HCOOH"	64.039293
"1178493"	134.286584666667	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+3Na"	68.967654
"1650199"	402.886788	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Na+HCOOH"	68.994688
"158045"	744.70324	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+2K-H"	76.91904
"597968"	1078.59534	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+2K-H"	76.91904
"1085762"	410.81114	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2K-H"	76.91904
"149514"	372.855258	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"2M+2K"	77.926316
"588343"	539.801308	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"3M+2K"	77.926316
"1078324"	205.909208	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2K"	77.926316
"1108254"	412.825692	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2K+H"	78.933592
"1342452"	412.913307	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+DMSO+H"	79.021207
"1008795"	416.952476	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2ACN+H"	83.060376
"1529106"	417.946108	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+IsoProp+Na+H"	84.054008
"997741"	208.979876	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+2ACN+2H"	84.067652
"1591150"	418.860728	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+K+HCOOH"	84.968628
"1421185"	448.892238	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+H+CF3COOH"	115.000138
"1158034"	229.493151	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+3ACN+2H"	125.094202
"1702120"	465.918785	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+NH4+CF3COOH"	132.026685
"1639956"	470.87418	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+Na+CF3COOH"	136.98208
"1573419"	486.84812	"C18677"	"Chlorethoxyfos"	"C6H11Cl4O3PS"	"333.8921"	"M+K+CF3COOH"	152.95602
"804881"	342.1103	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M"	0
"981694"	323.09191	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-H2O-H"	-19.01839
"69937"	227.066257333333	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M-3H"	-3.021828
"507310"	341.103024	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M-3H"	-3.021828
"885112"	113.029490666667	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-3H"	-3.021828
"9162"	341.103024	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M-2H"	-2.014552
"450908"	512.158174	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M-2H"	-2.014552
"821055"	170.047874	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-2H"	-2.014552
"87612"	683.213324	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M-H"	-1.007276
"526078"	1025.323624	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M-H"	-1.007276
"909357"	341.103024	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-H"	-1.007276
"62399"	700.239871	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M-2H+NH4"	16.019271
"500983"	1042.350171	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M-2H+NH4"	16.019271
"879721"	358.129571	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-2H+NH4"	16.019271
"43524"	705.195266	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M-2H+Na"	20.974666
"486004"	1047.305566	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M-2H+Na"	20.974666
"855420"	363.084966	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-2H+Na"	20.974666
"1629326"	363.084966	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Na-2H"	20.974666
"99295"	359.091363	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M-H+Cl"	33.962126
"544321"	530.146513	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M-H+Cl"	33.962126
"927577"	188.036213	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-H+Cl"	33.962126
"269833"	719.190002	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+Cl"	34.969402
"672097"	1061.300302	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+Cl"	34.969402
"1285596"	377.079702	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Cl"	34.969402
"31223"	721.169206	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M-2H+K"	36.948606
"469897"	1063.279506	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M-2H+K"	36.948606
"840043"	379.058906	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-2H+K"	36.948606
"1556195"	379.058906	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+K-2H"	36.948606
"950320"	387.108494	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-H+HCOOH"	44.998194
"368542"	729.218801	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+HCOOH-H"	44.998201
"353522"	743.234451	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+Hac-H"	59.013851
"1501262"	401.124151	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Hac-H"	59.013851
"960054"	409.090451	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-H+NaCOOH"	66.980151
"113336"	377.079702	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+2Cl"	69.938804
"552897"	548.134852	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+2Cl"	69.938804
"1023884"	206.024552	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2Cl"	69.938804
"1250023"	421.029185	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Br"	78.918885
"1309190"	423.085172	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Cl+HCOOH"	80.974872
"1323406"	445.067129	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Cl+NaCOOH"	102.956829
"917744"	455.095886	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M-H+CF3COOH"	112.985586
"1296639"	491.072564	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Cl+CF3COOH"	148.962264
"1374800"	307.097624	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H-2H2O"	-35.012676
"1392298"	325.1076	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H-H2O"	-17.0027
"283964"	685.227876	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+H"	1.007276
"677114"	1027.338176	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+H"	1.007276
"1352005"	343.117576	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H"	1.007276
"127808"	343.117576	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+2H"	2.014552
"566034"	514.172726	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+2H"	2.014552
"1042006"	172.062426	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2H"	2.014552
"207719"	229.080809333333	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+3H"	3.021828
"645092"	343.117576	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+3H"	3.021828
"1163332"	115.044042666667	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+3H"	3.021828
"425023"	702.254423	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+NH4"	18.033823
"786146"	1044.364723	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+NH4"	18.033823
"1681787"	360.144123	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+NH4"	18.033823
"331124"	351.6308495	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+H+NH4"	19.041099
"725611"	522.6859995	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+H+NH4"	19.041099
"1479432"	180.5756995	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H+NH4"	19.041099
"397019"	707.209818	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+Na"	22.989218
"759111"	1049.320118	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+Na"	22.989218
"1607211"	365.099518	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Na"	22.989218
"320523"	354.108547	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+H+Na"	23.996494
"711486"	525.163697	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+H+Na"	23.996494
"1462758"	183.053397	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H+Na"	23.996494
"1056729"	122.371356666667	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2H+Na"	25.00377
"1259499"	375.143786	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+CH3OH+H"	33.033486
"382459"	723.183758	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+K"	38.963158
"743449"	1065.294058	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+K"	38.963158
"1547701"	381.073458	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+K"	38.963158
"310344"	362.095517	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+H+K"	39.970434
"696206"	533.150667	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+H+K"	39.970434
"1452212"	191.040367	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H+K"	39.970434
"242999"	726.254426	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+ACN+H"	42.033826
"1217896"	384.144126	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+ACN+H"	42.033826
"1205059"	192.575701	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+ACN+2H"	43.041102
"193560"	729.19176	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+2Na-H"	44.97116
"639682"	1071.30206	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+2Na-H"	44.97116
"1137723"	387.08146	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2Na-H"	44.97116
"174816"	365.099518	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+2Na"	45.978436
"615835"	536.154668	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+2Na"	45.978436
"1119705"	194.044368	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2Na"	45.978436
"1404323"	129.698670666667	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H+2Na"	46.985712
"1430967"	389.123046	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H+HCOOH"	47.012746
"220538"	370.13254	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+3H2O+2H"	56.04448
"1509333"	403.17509	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+IsoProp+H"	61.06479
"409512"	373.086488	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+Na+K"	61.952376
"770992"	544.141638	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+Na+K"	61.952376
"1666226"	202.031338	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Na+K"	61.952376
"251892"	748.236368	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+ACN+Na"	64.015768
"1227150"	406.126068	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+ACN+Na"	64.015768
"1716045"	406.149593	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+NH4+HCOOH"	64.039293
"1179932"	137.025984666667	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+3Na"	68.967654
"1652131"	411.104988	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Na+HCOOH"	68.994688
"158639"	761.13964	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+2K-H"	76.91904
"599292"	1103.24994	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+2K-H"	76.91904
"1085508"	419.02934	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2K-H"	76.91904
"151807"	381.073458	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"2M+2K"	77.926316
"589547"	552.128608	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"3M+2K"	77.926316
"1074061"	210.018308	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2K"	77.926316
"1105084"	421.043892	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2K+H"	78.933592
"1342562"	421.131507	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+DMSO+H"	79.021207
"1008905"	425.170676	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2ACN+H"	83.060376
"1531403"	426.164308	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+IsoProp+Na+H"	84.054008
"997852"	213.088976	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+2ACN+2H"	84.067652
"1594542"	427.078928	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+K+HCOOH"	84.968628
"1424576"	457.110438	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+H+CF3COOH"	115.000138
"1158144"	233.602251	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+3ACN+2H"	125.094202
"1705510"	474.136985	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+NH4+CF3COOH"	132.026685
"1640066"	479.09238	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+Na+CF3COOH"	136.98208
"1572800"	495.06632	"C18678"	"UWM6"	"C19H18O6"	"342.1103"	"M+K+CF3COOH"	152.95602
"802804"	324.0998	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M"	0
"975967"	305.08141	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-H2O-H"	-19.01839
"71140"	215.059257333333	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M-3H"	-3.021828
"509606"	323.092524	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M-3H"	-3.021828
"888503"	107.025990666667	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-3H"	-3.021828
"11094"	323.092524	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M-2H"	-2.014552
"447736"	485.142424	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M-2H"	-2.014552
"825541"	161.042624	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-2H"	-2.014552
"85535"	647.192324	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M-H"	-1.007276
"524001"	971.292124	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M-H"	-1.007276
"909344"	323.092524	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-H"	-1.007276
"61898"	664.218871	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M-2H+NH4"	16.019271
"502431"	988.318671	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M-2H+NH4"	16.019271
"878531"	340.119071	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-2H+NH4"	16.019271
"38165"	669.174266	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M-2H+Na"	20.974666
"478820"	993.274066	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M-2H+Na"	20.974666
"855530"	345.074466	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-2H+Na"	20.974666
"1629436"	345.074466	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Na-2H"	20.974666
"103777"	341.080863	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M-H+Cl"	33.962126
"544067"	503.130763	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M-H+Cl"	33.962126
"927286"	179.030963	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-H+Cl"	33.962126
"271036"	683.169002	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+Cl"	34.969402
"664552"	1007.268802	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+Cl"	34.969402
"1285706"	359.069202	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Cl"	34.969402
"29354"	685.148206	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M-2H+K"	36.948606
"470007"	1009.248006	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M-2H+K"	36.948606
"840153"	361.048406	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-2H+K"	36.948606
"1556102"	361.048406	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+K-2H"	36.948606
"947150"	369.097994	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-H+HCOOH"	44.998194
"366465"	693.197801	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+HCOOH-H"	44.998201
"351445"	707.213451	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+Hac-H"	59.013851
"1499185"	383.113651	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Hac-H"	59.013851
"959552"	391.079951	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-H+NaCOOH"	66.980151
"113445"	359.069202	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+2Cl"	69.938804
"551913"	521.119102	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+2Cl"	69.938804
"1023994"	197.019302	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2Cl"	69.938804
"1249040"	403.018685	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Br"	78.918885
"1310393"	405.074672	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Cl+HCOOH"	80.974872
"1323516"	427.056629	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Cl+NaCOOH"	102.956829
"915667"	437.085386	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M-H+CF3COOH"	112.985586
"1290915"	473.062064	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Cl+CF3COOH"	148.962264
"1372723"	289.087124	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H-2H2O"	-35.012676
"1385848"	307.0971	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H-H2O"	-17.0027
"284924"	649.206876	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+H"	1.007276
"677586"	973.306676	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+H"	1.007276
"1352843"	325.107076	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H"	1.007276
"126581"	325.107076	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+2H"	2.014552
"566264"	487.156976	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+2H"	2.014552
"1042116"	163.057176	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2H"	2.014552
"208922"	217.073809333333	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+3H"	3.021828
"646416"	325.107076	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+3H"	3.021828
"1162999"	109.040542666667	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+3H"	3.021828
"424568"	666.233423	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+NH4"	18.033823
"785933"	990.333223	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+NH4"	18.033823
"1681341"	342.133623	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+NH4"	18.033823
"331477"	333.6203495	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+H+NH4"	19.041099
"723534"	495.6702495	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+H+NH4"	19.041099
"1480635"	171.5704495	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H+NH4"	19.041099
"398222"	671.188818	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+Na"	22.989218
"758490"	995.288618	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+Na"	22.989218
"1608411"	347.089018	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Na"	22.989218
"319539"	336.098047	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+H+Na"	23.996494
"713054"	498.147947	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+H+Na"	23.996494
"1463593"	174.048147	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H+Na"	23.996494
"1055015"	116.367856666667	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2H+Na"	25.00377
"1258514"	357.133286	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+CH3OH+H"	33.033486
"382567"	687.162758	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+K"	38.963158
"744653"	1011.262558	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+K"	38.963158
"1545620"	363.062958	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+K"	38.963158
"310454"	344.085017	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+H+K"	39.970434
"698502"	506.134917	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+H+K"	39.970434
"1454509"	182.035117	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H+K"	39.970434
"243109"	690.233426	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+ACN+H"	42.033826
"1221286"	366.133626	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+ACN+H"	42.033826
"1204076"	183.570451	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+ACN+2H"	43.041102
"193670"	693.17076	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+2Na-H"	44.97116
"630190"	1017.27056	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+2Na-H"	44.97116
"1138926"	369.07096	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2Na-H"	44.97116
"175657"	347.089018	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+2Na"	45.978436
"614607"	509.138918	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+2Na"	45.978436
"1118723"	185.039118	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2Na"	45.978436
"1401517"	123.695170666667	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H+2Na"	46.985712
"1430470"	371.112546	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H+HCOOH"	47.012746
"220526"	352.12204	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+3H2O+2H"	56.04448
"1509929"	385.16459	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+IsoProp+H"	61.06479
"409129"	355.075988	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+Na+K"	61.952376
"770490"	517.125888	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+Na+K"	61.952376
"1665964"	193.026088	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Na+K"	61.952376
"252976"	712.215368	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+ACN+Na"	64.015768
"1226532"	388.115568	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+ACN+Na"	64.015768
"1715062"	388.139093	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+NH4+HCOOH"	64.039293
"1179677"	131.022484666667	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+3Na"	68.967654
"1651513"	393.094488	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Na+HCOOH"	68.994688
"160451"	725.11864	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+2K-H"	76.91904
"599158"	1049.21844	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+2K-H"	76.91904
"1086829"	401.01884	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2K-H"	76.91904
"151188"	363.062958	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"2M+2K"	77.926316
"589656"	525.112858	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"3M+2K"	77.926316
"1076357"	201.013058	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2K"	77.926316
"1103005"	403.033392	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2K+H"	78.933592
"1339391"	403.121007	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+DMSO+H"	79.021207
"1009015"	407.160176	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2ACN+H"	83.060376
"1531513"	408.153808	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+IsoProp+Na+H"	84.054008
"997962"	204.083726	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+2ACN+2H"	84.067652
"1595745"	409.068428	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+K+HCOOH"	84.968628
"1421406"	439.099938	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+H+CF3COOH"	115.000138
"1154974"	224.597001	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+3ACN+2H"	125.094202
"1705620"	456.126485	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+NH4+CF3COOH"	132.026685
"1640176"	461.08188	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+Na+CF3COOH"	136.98208
"1572910"	477.05582	"C18679"	"23-Dehydro-UWM6;Prejadomycin"	"C19H16O5"	"324.0998"	"M+K+CF3COOH"	152.95602
"805101"	419.1369	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M"	0
"975349"	400.11851	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-H2O-H"	-19.01839
"70157"	278.417324	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M-3H"	-3.021828
"508623"	418.129624	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M-3H"	-3.021828
"888613"	138.705024	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-3H"	-3.021828
"7196"	418.129624	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M-2H"	-2.014552
"446753"	627.698074	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M-2H"	-2.014552
"825651"	208.561174	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-2H"	-2.014552
"91112"	837.266524	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M-H"	-1.007276
"526299"	1256.403424	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M-H"	-1.007276
"906295"	418.129624	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-H"	-1.007276
"62373"	854.293071	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M-2H+NH4"	16.019271
"500838"	1273.429971	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M-2H+NH4"	16.019271
"874749"	435.156171	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-2H+NH4"	16.019271
"39368"	859.248466	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M-2H+Na"	20.974666
"478930"	1278.385366	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M-2H+Na"	20.974666
"862201"	440.111566	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-2H+Na"	20.974666
"1629546"	440.111566	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Na-2H"	20.974666
"103887"	436.117963	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M-H+Cl"	33.962126
"537980"	645.686413	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M-H+Cl"	33.962126
"929308"	226.549513	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-H+Cl"	33.962126
"268594"	873.243202	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+Cl"	34.969402
"663569"	1292.380102	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+Cl"	34.969402
"1280347"	454.106302	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Cl"	34.969402
"18891"	875.222406	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M-2H+K"	36.948606
"459182"	1294.359306	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M-2H+K"	36.948606
"833010"	456.085506	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-2H+K"	36.948606
"1555604"	456.085506	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+K-2H"	36.948606
"946167"	464.135094	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-H+HCOOH"	44.998194
"367668"	883.272001	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+HCOOH-H"	44.998201
"353741"	897.287651	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+Hac-H"	59.013851
"1500388"	478.150751	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Hac-H"	59.013851
"964648"	486.117051	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-H+NaCOOH"	66.980151
"115743"	454.106302	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+2Cl"	69.938804
"554210"	663.674752	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+2Cl"	69.938804
"1024104"	244.537852	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2Cl"	69.938804
"1249150"	498.055785	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Br"	78.918885
"1309410"	500.111772	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Cl+HCOOH"	80.974872
"1323626"	522.093729	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Cl+NaCOOH"	102.956829
"915777"	532.122486	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M-H+CF3COOH"	112.985586
"1293579"	568.099164	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Cl+CF3COOH"	148.962264
"1372833"	384.124224	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H-2H2O"	-35.012676
"1389238"	402.1342	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H-H2O"	-17.0027
"286740"	839.281076	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+H"	1.007276
"677335"	1258.417976	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+H"	1.007276
"1354417"	420.144176	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H"	1.007276
"126211"	420.144176	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+2H"	2.014552
"575613"	629.712626	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+2H"	2.014552
"1042226"	210.575726	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2H"	2.014552
"207939"	280.431876	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+3H"	3.021828
"646405"	420.144176	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+3H"	3.021828
"1163112"	140.719576	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+3H"	3.021828
"424477"	856.307623	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+NH4"	18.033823
"787706"	1275.444523	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+NH4"	18.033823
"1681523"	437.170723	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+NH4"	18.033823
"330858"	428.6574495	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+H+NH4"	19.041099
"723153"	638.2258995	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+H+NH4"	19.041099
"1478921"	219.0889995	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H+NH4"	19.041099
"395051"	861.263018	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+Na"	22.989218
"758236"	1280.399918	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+Na"	22.989218
"1606336"	442.126118	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Na"	22.989218
"317828"	431.135147	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+H+Na"	23.996494
"711342"	640.703597	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+H+Na"	23.996494
"1466623"	221.566697	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H+Na"	23.996494
"1053671"	148.04689	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2H+Na"	25.00377
"1258261"	452.170386	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+CH3OH+H"	33.033486
"383770"	877.236958	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+K"	38.963158
"742576"	1296.373858	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+K"	38.963158
"1544637"	458.100058	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+K"	38.963158
"312751"	439.122117	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+H+K"	39.970434
"704078"	648.690567	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+H+K"	39.970434
"1452432"	229.553667	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H+K"	39.970434
"242126"	880.307626	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+ACN+H"	42.033826
"1214836"	461.170726	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+ACN+H"	42.033826
"1197625"	231.089001	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+ACN+2H"	43.041102
"190498"	883.24496	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+2Na-H"	44.97116
"632973"	1302.38186	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+2Na-H"	44.97116
"1141953"	464.10806	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2Na-H"	44.97116
"180138"	442.126118	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+2Na"	45.978436
"622618"	651.694568	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+2Na"	45.978436
"1124301"	232.557668	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2Na"	45.978436
"1406730"	155.374204	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H+2Na"	46.985712
"1437751"	466.149646	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H+HCOOH"	47.012746
"225260"	447.15914	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+3H2O+2H"	56.04448
"1511503"	480.20169	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+IsoProp+H"	61.06479
"413010"	450.113088	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+Na+K"	61.952376
"777286"	659.681538	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+Na+K"	61.952376
"1666689"	240.544638	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Na+K"	61.952376
"251871"	902.289568	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+ACN+Na"	64.015768
"1226278"	483.152668	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+ACN+Na"	64.015768
"1714807"	483.176193	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+NH4+HCOOH"	64.039293
"1179423"	162.701518	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+3Na"	68.967654
"1650895"	488.131588	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Na+HCOOH"	68.994688
"158979"	915.19284	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+2K-H"	76.91904
"597810"	1334.32974	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+2K-H"	76.91904
"1085238"	496.05594	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2K-H"	76.91904
"151298"	458.100058	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"2M+2K"	77.926316
"590862"	667.668508	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"3M+2K"	77.926316
"1076467"	248.531608	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2K"	77.926316
"1109677"	498.070492	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2K+H"	78.933592
"1342784"	498.158107	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+DMSO+H"	79.021207
"1010219"	502.197276	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2ACN+H"	83.060376
"1532719"	503.190908	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+IsoProp+Na+H"	84.054008
"998073"	251.602276	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+2ACN+2H"	84.067652
"1594762"	504.105528	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+K+HCOOH"	84.968628
"1424797"	534.137038	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+H+CF3COOH"	115.000138
"1161282"	272.115551	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+3ACN+2H"	125.094202
"1709010"	551.163585	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+NH4+CF3COOH"	132.026685
"1640286"	556.11898	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+Na+CF3COOH"	136.98208
"1573020"	572.09292	"C18680"	"Jadomycin A;Jadomycin B aglycon"	"C24H21NO6"	"419.1369"	"M+K+CF3COOH"	152.95602
"801931"	472.1733	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M"	0
"974393"	453.15491	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-H2O-H"	-19.01839
"70267"	313.774924	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M-3H"	-3.021828
"507640"	471.166024	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M-3H"	-3.021828
"887630"	156.383824	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-3H"	-3.021828
"11679"	471.166024	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M-2H"	-2.014552
"450875"	707.252674	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M-2H"	-2.014552
"825761"	235.079374	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-2H"	-2.014552
"89038"	943.339324	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M-H"	-1.007276
"528598"	1415.512624	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M-H"	-1.007276
"905304"	471.166024	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-H"	-1.007276
"50933"	960.365871	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M-2H+NH4"	16.019271
"501070"	1432.539171	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M-2H+NH4"	16.019271
"873766"	488.192571	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-2H+NH4"	16.019271
"37292"	965.321266	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M-2H+Na"	20.974666
"479040"	1437.494566	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M-2H+Na"	20.974666
"860854"	493.147966	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-2H+Na"	20.974666
"1629656"	493.147966	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Na-2H"	20.974666
"101811"	489.154363	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M-H+Cl"	33.962126
"540277"	725.241013	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M-H+Cl"	33.962126
"932699"	253.067713	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-H+Cl"	33.962126
"269432"	979.316002	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+Cl"	34.969402
"662586"	1451.489302	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+Cl"	34.969402
"1279364"	507.142702	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Cl"	34.969402
"18637"	981.295206	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M-2H+K"	36.948606
"460020"	1453.468506	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M-2H+K"	36.948606
"833120"	509.121906	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-2H+K"	36.948606
"1555615"	509.121906	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+K-2H"	36.948606
"945183"	517.171494	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-H+HCOOH"	44.998194
"366684"	989.344801	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+HCOOH-H"	44.998201
"354945"	1003.360451	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+Hac-H"	59.013851
"1500498"	531.187151	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Hac-H"	59.013851
"965852"	539.153451	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-H+NaCOOH"	66.980151
"114761"	507.142702	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+2Cl"	69.938804
"557601"	743.229352	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+2Cl"	69.938804
"1023121"	271.056052	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2Cl"	69.938804
"1248166"	551.092185	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Br"	78.918885
"1312800"	553.148172	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Cl+HCOOH"	80.974872
"1327016"	575.130129	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Cl+NaCOOH"	102.956829
"919168"	585.158886	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M-H+CF3COOH"	112.985586
"1296970"	621.135564	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Cl+CF3COOH"	148.962264
"1374037"	437.160624	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H-2H2O"	-35.012676
"1389348"	455.1706	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H-H2O"	-17.0027
"286850"	945.353876	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+H"	1.007276
"676395"	1417.527176	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+H"	1.007276
"1356712"	473.180576	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H"	1.007276
"126442"	473.180576	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+2H"	2.014552
"576816"	709.267226	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+2H"	2.014552
"1042336"	237.093926	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2H"	2.014552
"205129"	315.789476	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+3H"	3.021828
"644367"	473.180576	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+3H"	3.021828
"1163662"	158.398376	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+3H"	3.021828
"424868"	962.380423	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+NH4"	18.033823
"790004"	1434.553723	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+NH4"	18.033823
"1681595"	490.207123	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+NH4"	18.033823
"331697"	481.6938495	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+H+NH4"	19.041099
"725941"	717.7804995	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+H+NH4"	19.041099
"1480856"	245.6071995	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H+NH4"	19.041099
"397351"	967.335818	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+Na"	22.989218
"760536"	1439.509118	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+Na"	22.989218
"1606080"	495.162518	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Na"	22.989218
"319760"	484.171547	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+H+Na"	23.996494
"710359"	720.258197	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+H+Na"	23.996494
"1463813"	248.084897	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H+Na"	23.996494
"1055964"	165.72569	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2H+Na"	25.00377
"1258372"	505.206786	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+CH3OH+H"	33.033486
"378414"	983.309758	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+K"	38.963158
"739411"	1455.483058	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+K"	38.963158
"1541464"	511.136458	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+K"	38.963158
"305203"	492.158517	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+H+K"	39.970434
"699814"	728.245167	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+H+K"	39.970434
"1449262"	256.071867	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H+K"	39.970434
"240052"	986.380426	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+ACN+H"	42.033826
"1213852"	514.207126	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+ACN+H"	42.033826
"1197735"	257.607201	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+ACN+2H"	43.041102
"194985"	989.31776	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+2Na-H"	44.97116
"636732"	1461.49106	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+2Na-H"	44.97116
"1140241"	517.14446	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2Na-H"	44.97116
"180253"	495.162518	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+2Na"	45.978436
"617625"	731.249168	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+2Na"	45.978436
"1124410"	259.075868	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2Na"	45.978436
"1409027"	173.053004	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H+2Na"	46.985712
"1436769"	519.186046	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H+HCOOH"	47.012746
"224277"	500.19554	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+3H2O+2H"	56.04448
"1513435"	533.23809	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+IsoProp+H"	61.06479
"413120"	503.149488	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+Na+K"	61.952376
"778490"	739.236138	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+Na+K"	61.952376
"1668622"	267.062838	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Na+K"	61.952376
"251860"	1008.362368	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+ACN+Na"	64.015768
"1225901"	536.189068	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+ACN+Na"	64.015768
"1714310"	536.212593	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+NH4+HCOOH"	64.039293
"1178967"	180.380318	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+3Na"	68.967654
"1650762"	541.167988	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Na+HCOOH"	68.994688
"158117"	1021.26564	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+2K-H"	76.91904
"598041"	1493.43894	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+2K-H"	76.91904
"1085470"	549.09234	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2K-H"	76.91904
"149221"	511.136458	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"2M+2K"	77.926316
"586598"	747.223108	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"3M+2K"	77.926316
"1071110"	275.049808	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2K"	77.926316
"1105412"	551.106892	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2K+H"	78.933592
"1342892"	551.194507	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+DMSO+H"	79.021207
"1009236"	555.233676	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2ACN+H"	83.060376
"1530640"	556.227308	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+IsoProp+Na+H"	84.054008
"995996"	278.120476	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+2ACN+2H"	84.067652
"1595966"	557.141928	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+K+HCOOH"	84.968628
"1423812"	587.173438	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+H+CF3COOH"	115.000138
"1151913"	298.633751	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+3ACN+2H"	125.094202
"1709119"	604.199985	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+NH4+CF3COOH"	132.026685
"1638209"	609.15538	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+Na+CF3COOH"	136.98208
"1573129"	625.12932	"C18681"	"C1-C9-Glycosylated UWM6"	"C25H28O9"	"472.1733"	"M+K+CF3COOH"	152.95602
"811882"	322.0841	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M"	0
"982134"	303.06571	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-H2O-H"	-19.01839
"70377"	213.715457333333	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M-3H"	-3.021828
"507750"	321.076824	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M-3H"	-3.021828
"891020"	106.354090666667	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-3H"	-3.021828
"13611"	321.076824	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M-2H"	-2.014552
"448069"	482.118874	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M-2H"	-2.014552
"826964"	160.034774	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-2H"	-2.014552
"91945"	643.160924	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M-H"	-1.007276
"527616"	965.245024	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M-H"	-1.007276
"902136"	321.076824	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-H"	-1.007276
"52504"	660.187471	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M-2H+NH4"	16.019271
"499965"	982.271571	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M-2H+NH4"	16.019271
"873876"	338.103371	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-2H+NH4"	16.019271
"39589"	665.142866	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M-2H+Na"	20.974666
"479150"	987.226966	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M-2H+Na"	20.974666
"861328"	343.058766	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-2H+Na"	20.974666
"1629767"	343.058766	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Na-2H"	20.974666
"101921"	339.065163	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M-H+Cl"	33.962126
"541481"	500.107213	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M-H+Cl"	33.962126
"934996"	178.023113	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-H+Cl"	33.962126
"271726"	679.137602	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+Cl"	34.969402
"666700"	1001.221702	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+Cl"	34.969402
"1276550"	357.053502	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Cl"	34.969402
"16920"	681.116806	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M-2H+K"	36.948606
"456719"	1003.200906	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M-2H+K"	36.948606
"838289"	359.032706	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-2H+K"	36.948606
"1558496"	359.032706	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+K-2H"	36.948606
"946385"	367.082294	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-H+HCOOH"	44.998194
"367888"	689.166401	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+HCOOH-H"	44.998201
"358335"	703.182051	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+Hac-H"	59.013851
"1503525"	381.097951	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Hac-H"	59.013851
"963778"	389.064251	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-H+NaCOOH"	66.980151
"118152"	357.053502	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+2Cl"	69.938804
"564638"	518.095552	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+2Cl"	69.938804
"1034166"	196.011452	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2Cl"	69.938804
"1251557"	401.002985	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Br"	78.918885
"1315098"	403.058972	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Cl+HCOOH"	80.974872
"1331501"	425.040929	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Cl+NaCOOH"	102.956829
"919278"	435.069686	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M-H+CF3COOH"	112.985586
"1297079"	471.046364	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Cl+CF3COOH"	148.962264
"1373054"	287.071424	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H-2H2O"	-35.012676
"1396016"	305.0814	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H-H2O"	-17.0027
"284772"	645.175476	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+H"	1.007276
"678287"	967.259576	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+H"	1.007276
"1361195"	323.091376	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H"	1.007276
"132992"	323.091376	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+2H"	2.014552
"575833"	484.133426	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+2H"	2.014552
"1045726"	162.049326	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2H"	2.014552
"210344"	215.730009333333	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+3H"	3.021828
"648810"	323.091376	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+3H"	3.021828
"1166205"	108.368642666667	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+3H"	3.021828
"430207"	662.202023	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+NH4"	18.033823
"793394"	984.286123	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+NH4"	18.033823
"1683893"	340.117923	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+NH4"	18.033823
"334724"	331.6046495	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+H+NH4"	19.041099
"724958"	492.6466995	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+H+NH4"	19.041099
"1484247"	170.5625995	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H+NH4"	19.041099
"398555"	667.157418	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+Na"	22.989218
"759552"	989.241518	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+Na"	22.989218
"1606920"	345.073318	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Na"	22.989218
"317684"	334.082347	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+H+Na"	23.996494
"710109"	495.124397	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+H+Na"	23.996494
"1463928"	173.040297	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H+Na"	23.996494
"1055104"	115.695956666667	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2H+Na"	25.00377
"1259580"	355.117586	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+CH3OH+H"	33.033486
"378037"	683.131358	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+K"	38.963158
"741709"	1005.215458	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+K"	38.963158
"1545951"	361.047258	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+K"	38.963158
"304220"	342.069317	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+H+K"	39.970434
"699925"	503.111367	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+H+K"	39.970434
"1454839"	181.027267	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H+K"	39.970434
"239069"	686.202026	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+ACN+H"	42.033826
"1218336"	364.117926	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+ACN+H"	42.033826
"1198940"	182.562601	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+ACN+2H"	43.041102
"195095"	689.13936	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+2Na-H"	44.97116
"635749"	1011.22346	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+2Na-H"	44.97116
"1143267"	367.05526	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2Na-H"	44.97116
"184737"	345.073318	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+2Na"	45.978436
"624295"	506.115368	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+2Na"	45.978436
"1125615"	184.031268	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2Na"	45.978436
"1404765"	123.023270666667	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H+2Na"	46.985712
"1434693"	369.096846	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H+HCOOH"	47.012746
"229855"	350.10634	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+3H2O+2H"	56.04448
"1516825"	383.14889	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+IsoProp+H"	61.06479
"416510"	353.060288	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+Na+K"	61.952376
"780786"	514.102338	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+Na+K"	61.952376
"1674928"	192.018238	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Na+K"	61.952376
"253067"	708.183968	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+ACN+Na"	64.015768
"1227962"	386.099868	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+ACN+Na"	64.015768
"1714664"	386.123393	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+NH4+HCOOH"	64.039293
"1182203"	130.350584666667	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+3Na"	68.967654
"1652095"	391.078788	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Na+HCOOH"	68.994688
"162970"	721.08724	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+2K-H"	76.91904
"601435"	1043.17134	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+2K-H"	76.91904
"1094334"	399.00314	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2K-H"	76.91904
"146050"	361.047258	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"2M+2K"	77.926316
"583425"	522.089308	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"3M+2K"	77.926316
"1070125"	200.005208	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2K"	77.926316
"1103335"	401.017692	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2K+H"	78.933592
"1338625"	401.105307	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+DMSO+H"	79.021207
"1007156"	405.144476	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2ACN+H"	83.060376
"1527471"	406.138108	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+IsoProp+Na+H"	84.054008
"996106"	203.075876	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+2ACN+2H"	84.067652
"1591701"	407.052728	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+K+HCOOH"	84.968628
"1419548"	437.084238	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+H+CF3COOH"	115.000138
"1152021"	223.589151	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+3ACN+2H"	125.094202
"1699751"	454.110785	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+NH4+CF3COOH"	132.026685
"1635402"	459.06618	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+Na+CF3COOH"	136.98208
"1571781"	475.04012	"C18682"	"11-Deoxylandomycinone"	"C19H14O5"	"322.0841"	"M+K+CF3COOH"	152.95602
"804337"	452.1471	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M"	0
"980057"	433.12871	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-H2O-H"	-19.01839
"71580"	300.424124	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M-3H"	-3.021828
"508953"	451.139824	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M-3H"	-3.021828
"882380"	149.708424	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-3H"	-3.021828
"11895"	451.139824	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M-2H"	-2.014552
"451458"	677.213374	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M-2H"	-2.014552
"827074"	225.066274	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-2H"	-2.014552
"92909"	903.286924	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M-H"	-1.007276
"528819"	1355.434024	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M-H"	-1.007276
"903342"	451.139824	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-H"	-1.007276
"53343"	920.313471	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M-2H+NH4"	16.019271
"492903"	1372.460571	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M-2H+NH4"	16.019271
"873986"	468.166371	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-2H+NH4"	16.019271
"42979"	925.268866	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M-2H+Na"	20.974666
"481446"	1377.415966	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M-2H+Na"	20.974666
"860343"	473.121766	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-2H+Na"	20.974666
"1629878"	473.121766	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Na-2H"	20.974666
"107498"	469.128163	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M-H+Cl"	33.962126
"539767"	695.201713	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M-H+Cl"	33.962126
"934373"	243.054613	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-H+Cl"	33.962126
"272931"	939.263602	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+Cl"	34.969402
"668270"	1391.410702	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+Cl"	34.969402
"1280308"	487.116502	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Cl"	34.969402
"19219"	941.242806	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M-2H+K"	36.948606
"457076"	1393.389906	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M-2H+K"	36.948606
"834390"	489.095706	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-2H+K"	36.948606
"1562252"	489.095706	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+K-2H"	36.948606
"946859"	497.145294	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-H+HCOOH"	44.998194
"362522"	949.292401	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+HCOOH-H"	44.998201
"350788"	963.308051	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+Hac-H"	59.013851
"1502902"	511.160951	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Hac-H"	59.013851
"966075"	519.127251	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-H+NaCOOH"	66.980151
"120449"	487.116502	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+2Cl"	69.938804
"563291"	713.190052	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+2Cl"	69.938804
"1034642"	261.042952	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2Cl"	69.938804
"1256043"	531.065985	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Br"	78.918885
"1316302"	533.121972	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Cl+HCOOH"	80.974872
"1335380"	555.103929	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Cl+NaCOOH"	102.956829
"927005"	565.132686	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M-H+CF3COOH"	112.985586
"1300470"	601.109364	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Cl+CF3COOH"	148.962264
"1374258"	417.134424	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H-2H2O"	-35.012676
"1393940"	435.1444	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H-H2O"	-17.0027
"287070"	905.301476	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+H"	1.007276
"679491"	1357.448576	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+H"	1.007276
"1361305"	453.154376	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H"	1.007276
"135289"	453.154376	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+2H"	2.014552
"575944"	679.227926	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+2H"	2.014552
"1046929"	227.080826	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2H"	2.014552
"211551"	302.438676	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+3H"	3.021828
"650014"	453.154376	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+3H"	3.021828
"1165954"	151.722976	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+3H"	3.021828
"429226"	922.328023	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+NH4"	18.033823
"796786"	1374.475123	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+NH4"	18.033823
"1685463"	470.180923	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+NH4"	18.033823
"335927"	461.6676495	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+H+NH4"	19.041099
"730535"	687.7411995	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+H+NH4"	19.041099
"1482175"	235.5940995	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H+NH4"	19.041099
"400856"	927.283418	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+Na"	22.989218
"758570"	1379.430518	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+Na"	22.989218
"1607395"	475.136318	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Na"	22.989218
"316705"	464.145347	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+H+Na"	23.996494
"710947"	690.218897	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+H+Na"	23.996494
"1465131"	238.071797	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H+Na"	23.996494
"1055093"	159.05029	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2H+Na"	25.00377
"1258959"	485.180586	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+CH3OH+H"	33.033486
"385196"	943.257358	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+K"	38.963158
"739629"	1395.404458	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+K"	38.963158
"1542777"	491.110258	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+K"	38.963158
"306516"	472.132317	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+H+K"	39.970434
"700034"	698.205867	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+H+K"	39.970434
"1456042"	246.058767	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H+K"	39.970434
"239903"	946.328026	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+ACN+H"	42.033826
"1214436"	494.180926	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+ACN+H"	42.033826
"1197958"	247.594101	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+ACN+2H"	43.041102
"194112"	949.26536	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+2Na-H"	44.97116
"636953"	1401.41246	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+2Na-H"	44.97116
"1140464"	497.11826	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2Na-H"	44.97116
"180473"	475.136318	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+2Na"	45.978436
"617846"	701.209868	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+2Na"	45.978436
"1118069"	249.062768	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2Na"	45.978436
"1408156"	166.377604	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H+2Na"	46.985712
"1436990"	499.159846	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H+HCOOH"	47.012746
"227781"	480.16934	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+3H2O+2H"	56.04448
"1514750"	513.21189	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+IsoProp+H"	61.06479
"417715"	483.123288	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+Na+K"	61.952376
"783082"	709.196838	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+Na+K"	61.952376
"1676132"	257.049738	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Na+K"	61.952376
"256092"	968.309968	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+ACN+Na"	64.015768
"1227707"	516.162868	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+ACN+Na"	64.015768
"1716231"	516.186393	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+NH4+HCOOH"	64.039293
"1182313"	173.704918	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+3Na"	68.967654
"1650746"	521.141788	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Na+HCOOH"	68.994688
"163080"	981.21324	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+2K-H"	76.91904
"598627"	1433.36034	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+2K-H"	76.91904
"1095538"	529.06614	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2K-H"	76.91904
"152719"	491.110258	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"2M+2K"	77.926316
"586811"	717.183808	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"3M+2K"	77.926316
"1071329"	265.036708	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2K"	77.926316
"1101258"	531.080692	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2K+H"	78.933592
"1342017"	531.168307	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+DMSO+H"	79.021207
"1010547"	535.207476	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2ACN+H"	83.060376
"1530863"	536.201108	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+IsoProp+Na+H"	84.054008
"999133"	268.107376	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+2ACN+2H"	84.067652
"1591811"	537.115728	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+K+HCOOH"	84.968628
"1419658"	567.147238	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+H+CF3COOH"	115.000138
"1152131"	288.620651	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+3ACN+2H"	125.094202
"1699861"	584.173785	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+NH4+CF3COOH"	132.026685
"1635512"	589.12918	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+Na+CF3COOH"	136.98208
"1572255"	605.10312	"C18683"	"Landomycin H"	"C25H24O8"	"452.1471"	"M+K+CF3COOH"	152.95602
"804082"	598.205	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M"	0
"980167"	579.18661	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-H2O-H"	-19.01839
"71690"	397.796057333333	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M-3H"	-3.021828
"509063"	597.197724	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M-3H"	-3.021828
"881396"	198.394390666667	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-3H"	-3.021828
"9818"	597.197724	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M-2H"	-2.014552
"448283"	896.300224	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M-2H"	-2.014552
"823904"	298.095224	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-2H"	-2.014552
"94122"	1195.402724	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M-H"	-1.007276
"528929"	1793.607724	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M-H"	-1.007276
"903452"	597.197724	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-H"	-1.007276
"58920"	1212.429271	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M-2H+NH4"	16.019271
"497384"	1810.634271	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M-2H+NH4"	16.019271
"873000"	614.224271	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-2H+NH4"	16.019271
"43088"	1217.384666	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M-2H+Na"	20.974666
"481556"	1815.589666	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M-2H+Na"	20.974666
"861546"	619.179666	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-2H+Na"	20.974666
"1631447"	619.179666	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Na-2H"	20.974666
"107608"	615.186063	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M-H+Cl"	33.962126
"541699"	914.288563	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M-H+Cl"	33.962126
"933026"	316.083563	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-H+Cl"	33.962126
"275957"	1231.379402	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+Cl"	34.969402
"669473"	1829.584402	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+Cl"	34.969402
"1277502"	633.174402	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Cl"	34.969402
"18965"	1233.358606	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M-2H+K"	36.948606
"457184"	1831.563606	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M-2H+K"	36.948606
"835594"	635.153606	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-2H+K"	36.948606
"1560174"	635.153606	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+K-2H"	36.948606
"946608"	643.203194	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-H+HCOOH"	44.998194
"362269"	1241.408201	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+HCOOH-H"	44.998201
"348712"	1255.423851	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+Hac-H"	59.013851
"1499732"	657.218851	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Hac-H"	59.013851
"972385"	665.185151	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-H+NaCOOH"	66.980151
"124938"	633.174402	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+2Cl"	69.938804
"562306"	932.276902	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+2Cl"	69.938804
"1035116"	334.071902	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2Cl"	69.938804
"1256930"	677.123885	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Br"	78.918885
"1319210"	679.179872	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Cl+HCOOH"	80.974872
"1335126"	701.161829	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Cl+NaCOOH"	102.956829
"923872"	711.190586	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M-H+CF3COOH"	112.985586
"1299487"	747.167264	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Cl+CF3COOH"	148.962264
"1371088"	563.192324	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H-2H2O"	-35.012676
"1387490"	581.2023	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H-H2O"	-17.0027
"292647"	1197.417276	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+H"	1.007276
"680694"	1795.622276	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+H"	1.007276
"1359228"	599.212276	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H"	1.007276
"135399"	599.212276	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+2H"	2.014552
"577147"	898.314776	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+2H"	2.014552
"1049226"	300.109776	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2H"	2.014552
"208381"	399.810609333333	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+3H"	3.021828
"647940"	599.212276	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+3H"	3.021828
"1166065"	200.408942666667	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+3H"	3.021828
"427513"	1214.443823	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+NH4"	18.033823
"792523"	1812.648823	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+NH4"	18.033823
"1689948"	616.238823	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+NH4"	18.033823
"336037"	607.7255495	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+H+NH4"	19.041099
"729552"	906.8280495	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+H+NH4"	19.041099
"1482285"	308.6230495	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H+NH4"	19.041099
"399872"	1219.399218	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+Na"	22.989218
"758680"	1817.604218	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+Na"	22.989218
"1606775"	621.194218	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Na"	22.989218
"317908"	610.203247	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+H+Na"	23.996494
"710327"	909.305747	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+H+Na"	23.996494
"1463782"	311.100747	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H+Na"	23.996494
"1055203"	207.736256666667	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2H+Na"	25.00377
"1258098"	631.238486	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+CH3OH+H"	33.033486
"385306"	1235.373158	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+K"	38.963158
"738686"	1833.578158	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+K"	38.963158
"1540456"	637.168158	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+K"	38.963158
"305533"	618.190217	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+H+K"	39.970434
"702330"	917.292717	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+H+K"	39.970434
"1457246"	319.087717	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H+K"	39.970434
"242565"	1238.443826	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+ACN+H"	42.033826
"1216369"	640.238826	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+ACN+H"	42.033826
"1200255"	320.623051	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+ACN+2H"	43.041102
"193127"	1241.38116	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+2Na-H"	44.97116
"632688"	1839.58616	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+2Na-H"	44.97116
"1136194"	643.17616	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2Na-H"	44.97116
"185687"	621.194218	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+2Na"	45.978436
"625609"	920.296718	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+2Na"	45.978436
"1128022"	322.091718	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2Na"	45.978436
"1406078"	215.063570666667	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H+2Na"	46.985712
"1443660"	645.217746	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H+HCOOH"	47.012746
"227889"	626.22724	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+3H2O+2H"	56.04448
"1515952"	659.26979	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+IsoProp+H"	61.06479
"420011"	629.181188	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+Na+K"	61.952376
"781006"	928.283688	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+Na+K"	61.952376
"1675148"	330.078688	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Na+K"	61.952376
"255473"	1260.425768	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+ACN+Na"	64.015768
"1229274"	662.220768	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+ACN+Na"	64.015768
"1715246"	662.244293	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+NH4+HCOOH"	64.039293
"1180597"	222.390884666667	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+3Na"	68.967654
"1650974"	667.199688	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Na+HCOOH"	68.994688
"158813"	1273.32904	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+2K-H"	76.91904
"598129"	1871.53404	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+2K-H"	76.91904
"1094919"	675.12404	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2K-H"	76.91904
"152829"	637.168158	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"2M+2K"	77.926316
"586921"	936.270658	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"3M+2K"	77.926316
"1070345"	338.065658	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2K"	77.926316
"1103555"	677.138592	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2K+H"	78.933592
"1338117"	677.226207	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+DMSO+H"	79.021207
"1010657"	681.265376	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2ACN+H"	83.060376
"1536438"	682.259008	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+IsoProp+Na+H"	84.054008
"1001793"	341.136326	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+2ACN+2H"	84.067652
"1591921"	683.173628	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+K+HCOOH"	84.968628
"1417945"	713.205138	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+H+CF3COOH"	115.000138
"1150782"	361.649601	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+3ACN+2H"	125.094202
"1699607"	730.231685	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+NH4+CF3COOH"	132.026685
"1635622"	735.18708	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+Na+CF3COOH"	136.98208
"1572365"	751.16102	"C18684"	"Landomycin D"	"C31H34O12"	"598.205"	"M+K+CF3COOH"	152.95602
"803464"	712.2731	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M"	0
"980277"	693.25471	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-H2O-H"	-19.01839
"71800"	473.841457333333	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M-3H"	-3.021828
"509173"	711.265824	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M-3H"	-3.021828
"881507"	236.417090666667	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-3H"	-3.021828
"13209"	711.265824	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M-2H"	-2.014552
"449486"	1067.402374	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M-2H"	-2.014552
"824014"	355.129274	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-2H"	-2.014552
"94190"	1423.538924	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M-H"	-1.007276
"533293"	2135.812024	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M-H"	-1.007276
"906842"	711.265824	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-H"	-1.007276
"55750"	1440.565471	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M-2H+NH4"	16.019271
"495310"	2152.838571	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M-2H+NH4"	16.019271
"874201"	728.292371	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-2H+NH4"	16.019271
"41011"	1445.520866	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M-2H+Na"	20.974666
"480569"	2157.793966	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M-2H+Na"	20.974666
"860556"	733.247766	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-2H+Na"	20.974666
"1625716"	733.247766	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Na-2H"	20.974666
"105531"	729.254163	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M-H+Cl"	33.962126
"539621"	1085.390713	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M-H+Cl"	33.962126
"932405"	373.117613	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-H+Cl"	33.962126
"276067"	1459.515602	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+Cl"	34.969402
"671770"	2171.788702	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+Cl"	34.969402
"1277612"	747.242502	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Cl"	34.969402
"18347"	1461.494806	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M-2H+K"	36.948606
"457538"	2173.767906	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M-2H+K"	36.948606
"839716"	749.221706	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-2H+K"	36.948606
"1562108"	749.221706	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+K-2H"	36.948606
"949998"	757.271294	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-H+HCOOH"	44.998194
"367120"	1469.544401	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+HCOOH-H"	44.998201
"348819"	1483.560051	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+Hac-H"	59.013851
"1499842"	771.286951	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Hac-H"	59.013851
"970669"	779.253251	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-H+NaCOOH"	66.980151
"124804"	747.242502	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+2Cl"	69.938804
"563510"	1103.379052	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+2Cl"	69.938804
"1035226"	391.105952	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2Cl"	69.938804
"1256631"	791.191985	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Br"	78.918885
"1318713"	793.247972	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Cl+HCOOH"	80.974872
"1334748"	815.229929	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Cl+NaCOOH"	102.956829
"926169"	825.258686	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M-H+CF3COOH"	112.985586
"1295223"	861.235364	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Cl+CF3COOH"	148.962264
"1371198"	677.260424	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H-2H2O"	-35.012676
"1385413"	695.2704	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H-H2O"	-17.0027
"292757"	1425.553476	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+H"	1.007276
"680804"	2137.826576	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+H"	1.007276
"1358245"	713.280376	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H"	1.007276
"135509"	713.280376	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+2H"	2.014552
"575070"	1069.416926	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+2H"	2.014552
"1048243"	357.143826	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2H"	2.014552
"208855"	475.856009333333	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+3H"	3.021828
"649143"	713.280376	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+3H"	3.021828
"1168360"	238.431642666667	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+3H"	3.021828
"429446"	1442.580023	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+NH4"	18.033823
"797006"	2154.853123	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+NH4"	18.033823
"1692245"	730.306923	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+NH4"	18.033823
"336147"	721.7936495	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+H+NH4"	19.041099
"729661"	1077.9301995	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+H+NH4"	19.041099
"1484578"	365.6570995	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H+NH4"	19.041099
"398889"	1447.535418	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+Na"	22.989218
"757695"	2159.808518	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+Na"	22.989218
"1604703"	735.262318	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Na"	22.989218
"316924"	724.271347	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+H+Na"	23.996494
"710436"	1080.407897	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+H+Na"	23.996494
"1463892"	368.134797	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H+Na"	23.996494
"1055676"	245.758956666667	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2H+Na"	25.00377
"1262457"	745.306586	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+CH3OH+H"	33.033486
"383216"	1463.509358	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+K"	38.963158
"739485"	2175.782458	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+K"	38.963158
"1541903"	751.236258	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+K"	38.963158
"306736"	732.258317	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+H+K"	39.970434
"702440"	1088.394867	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+H+K"	39.970434
"1458814"	376.121767	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H+K"	39.970434
"242675"	1466.580026	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+ACN+H"	42.033826
"1218666"	754.306926	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+ACN+H"	42.033826
"1201458"	377.657101	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+ACN+2H"	43.041102
"197611"	1469.51736	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+2Na-H"	44.97116
"633162"	2181.79046	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+2Na-H"	44.97116
"1136304"	757.24426	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2Na-H"	44.97116
"185065"	735.262318	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+2Na"	45.978436
"624625"	1091.398868	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+2Na"	45.978436
"1124850"	379.125768	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2Na"	45.978436
"1410560"	253.086270666667	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H+2Na"	46.985712
"1437208"	759.285846	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H+HCOOH"	47.012746
"226904"	740.29534	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+3H2O+2H"	56.04448
"1516059"	773.33789	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+IsoProp+H"	61.06479
"415747"	743.249288	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+Na+K"	61.952376
"782209"	1099.385838	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+Na+K"	61.952376
"1675258"	387.112738	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Na+K"	61.952376
"256676"	1488.561968	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+ACN+Na"	64.015768
"1232300"	776.288868	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+ACN+Na"	64.015768
"1715717"	776.312393	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+NH4+HCOOH"	64.039293
"1179735"	260.413584666667	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+3Na"	68.967654
"1651087"	781.267788	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Na+HCOOH"	68.994688
"157465"	1501.46524	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+2K-H"	76.91904
"599213"	2213.73834	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+2K-H"	76.91904
"1085546"	789.19214	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2K-H"	76.91904
"148565"	751.236258	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"2M+2K"	77.926316
"591406"	1107.372808	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"3M+2K"	77.926316
"1073736"	395.099708	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2K"	77.926316
"1105853"	791.206692	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2K+H"	78.933592
"1342237"	791.294307	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+DMSO+H"	79.021207
"1010767"	795.333476	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2ACN+H"	83.060376
"1536548"	796.327108	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+IsoProp+Na+H"	84.054008
"1004090"	398.170376	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+2ACN+2H"	84.067652
"1592031"	797.241728	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+K+HCOOH"	84.968628
"1417691"	827.273238	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+H+CF3COOH"	115.000138
"1149436"	418.683651	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+3ACN+2H"	125.094202
"1699718"	844.299785	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+NH4+CF3COOH"	132.026685
"1638649"	849.25518	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+Na+CF3COOH"	136.98208
"1573206"	865.22912	"C18685"	"Landomycin E"	"C37H44O14"	"712.2731"	"M+K+CF3COOH"	152.95602
"805762"	233.9705	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M"	0
"980387"	214.95211	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-H2O-H"	-19.01839
"71910"	154.973057333333	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M-3H"	-3.021828
"509283"	232.963224	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M-3H"	-3.021828
"880524"	76.9828906666667	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-3H"	-3.021828
"3475"	232.963224	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M-2H"	-2.014552
"444129"	349.948474	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M-2H"	-2.014552
"821935"	115.977974	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-2H"	-2.014552
"93361"	466.933724	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M-H"	-1.007276
"533403"	700.904224	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M-H"	-1.007276
"906952"	232.963224	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-H"	-1.007276
"59140"	483.960271	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M-2H+NH4"	16.019271
"495420"	717.930771	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M-2H+NH4"	16.019271
"871032"	249.989771	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-2H+NH4"	16.019271
"41119"	488.915666	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M-2H+Na"	20.974666
"481772"	722.886166	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M-2H+Na"	20.974666
"860668"	254.945166	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-2H+Na"	20.974666
"1624733"	254.945166	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Na-2H"	20.974666
"102361"	250.951563	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M-H+Cl"	33.962126
"537180"	367.936813	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M-H+Cl"	33.962126
"931058"	133.966313	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-H+Cl"	33.962126
"272896"	502.910402	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+Cl"	34.969402
"669693"	736.880902	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+Cl"	34.969402
"1277721"	268.939902	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Cl"	34.969402
"17725"	504.889606	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M-2H+K"	36.948606
"458014"	738.860106	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M-2H+K"	36.948606
"839826"	270.919106	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-2H+K"	36.948606
"1559667"	270.919106	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+K-2H"	36.948606
"943911"	278.968694	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-H+HCOOH"	44.998194
"366137"	512.939201	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+HCOOH-H"	44.998201
"345829"	526.954851	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+Hac-H"	59.013851
"1497765"	292.984351	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Hac-H"	59.013851
"968592"	300.950651	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-H+NaCOOH"	66.980151
"124061"	268.939902	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+2Cl"	69.938804
"562526"	385.925152	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+2Cl"	69.938804
"1034606"	151.954652	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2Cl"	69.938804
"1249812"	312.889385	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Br"	78.918885
"1314446"	314.945372	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Cl+HCOOH"	80.974872
"1327568"	336.927329	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Cl+NaCOOH"	102.956829
"924092"	346.956086	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M-H+CF3COOH"	112.985586
"1291324"	382.932764	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Cl+CF3COOH"	148.962264
"1368390"	198.957824	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H-2H2O"	-35.012676
"1384065"	216.9678	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H-H2O"	-17.0027
"289587"	468.948276	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+H"	1.007276
"680915"	702.918776	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+H"	1.007276
"1358355"	234.977776	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H"	1.007276
"135620"	234.977776	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+2H"	2.014552
"575180"	351.963026	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+2H"	2.014552
"1051270"	117.992526	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2H"	2.014552
"208965"	156.987609333333	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+3H"	3.021828
"648524"	234.977776	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+3H"	3.021828
"1166649"	78.9974426666667	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+3H"	3.021828
"428828"	485.974823	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+NH4"	18.033823
"797116"	719.945323	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+NH4"	18.033823
"1690168"	252.004323	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+NH4"	18.033823
"336257"	243.4910495	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+H+NH4"	19.041099
"731958"	360.4762995	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+H+NH4"	19.041099
"1482502"	126.5057995	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H+NH4"	19.041099
"398996"	490.930218	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+Na"	22.989218
"758899"	724.900718	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+Na"	22.989218
"1604813"	256.959718	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Na"	22.989218
"316669"	245.968747	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+H+Na"	23.996494
"710911"	362.953997	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+H+Na"	23.996494
"1465096"	128.983497	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H+Na"	23.996494
"1055789"	86.3247566666667	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2H+Na"	25.00377
"1261474"	267.003986	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+CH3OH+H"	33.033486
"382233"	506.904158	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+K"	38.963158
"740324"	740.874658	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+K"	38.963158
"1540919"	272.933658	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+K"	38.963158
"303567"	253.955717	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+H+K"	39.970434
"702550"	370.940967	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+H+K"	39.970434
"1459288"	136.970467	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H+K"	39.970434
"242785"	509.974826	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+ACN+H"	42.033826
"1218776"	276.004326	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+ACN+H"	42.033826
"1200475"	138.505801	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+ACN+2H"	43.041102
"194441"	512.91216	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+2Na-H"	44.97116
"632179"	746.88266	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+2Na-H"	44.97116
"1136414"	278.94166	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2Na-H"	44.97116
"186268"	256.959718	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+2Na"	45.978436
"624735"	373.944968	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+2Na"	45.978436
"1123867"	139.974468	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2Na"	45.978436
"1407390"	93.6520706666667	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H+2Na"	46.985712
"1436225"	280.983246	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H+HCOOH"	47.012746
"225921"	261.99274	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+3H2O+2H"	56.04448
"1514347"	295.03529	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+IsoProp+H"	61.06479
"415857"	264.946688	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+Na+K"	61.952376
"779040"	381.931938	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+Na+K"	61.952376
"1673182"	147.961438	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Na+K"	61.952376
"257151"	531.956768	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+ACN+Na"	64.015768
"1226943"	297.986268	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+ACN+Na"	64.015768
"1714734"	298.009793	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+NH4+HCOOH"	64.039293
"1180087"	100.979384666667	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+3Na"	68.967654
"1650832"	302.965188	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Na+HCOOH"	68.994688
"157328"	544.86004	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+2K-H"	76.91904
"598229"	778.83054	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+2K-H"	76.91904
"1084434"	310.88954	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2K-H"	76.91904
"148676"	272.933658	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"2M+2K"	77.926316
"587141"	389.918908	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"3M+2K"	77.926316
"1072753"	155.948408	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2K"	77.926316
"1105962"	312.904092	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2K+H"	78.933592
"1340160"	312.991707	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+DMSO+H"	79.021207
"1013064"	317.030876	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2ACN+H"	83.060376
"1530095"	318.024508	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+IsoProp+Na+H"	84.054008
"998732"	159.019076	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+2ACN+2H"	84.067652
"1592141"	318.939128	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+K+HCOOH"	84.968628
"1422176"	348.970638	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+H+CF3COOH"	115.000138
"1152463"	179.532351	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+3ACN+2H"	125.094202
"1700921"	365.997185	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+NH4+CF3COOH"	132.026685
"1638759"	370.95258	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+Na+CF3COOH"	136.98208
"1573316"	386.92652	"C18686"	"Chlormephos"	"C5H12ClO2PS2"	"233.9705"	"M+K+CF3COOH"	152.95602
"805872"	242.0564	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M"	0
"975150"	223.03801	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-H2O-H"	-19.01839
"72020"	160.363657333333	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M-3H"	-3.021828
"509393"	241.049124	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M-3H"	-3.021828
"883913"	79.6781906666667	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-3H"	-3.021828
"419"	241.049124	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M-2H"	-2.014552
"440344"	362.077324	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M-2H"	-2.014552
"820951"	120.020924	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-2H"	-2.014552
"93226"	483.105524	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M-H"	-1.007276
"532548"	725.161924	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M-H"	-1.007276
"908523"	241.049124	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-H"	-1.007276
"55971"	500.132071	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M-2H+NH4"	16.019271
"498811"	742.188471	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M-2H+NH4"	16.019271
"877711"	258.075671	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-2H+NH4"	16.019271
"44151"	505.087466	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M-2H+Na"	20.974666
"485168"	747.143866	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M-2H+Na"	20.974666
"863536"	263.031066	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-2H+Na"	20.974666
"1633477"	263.031066	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Na-2H"	20.974666
"104657"	259.037463	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M-H+Cl"	33.962126
"545310"	380.065663	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M-H+Cl"	33.962126
"933721"	138.009263	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-H+Cl"	33.962126
"278474"	519.082202	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+Cl"	34.969402
"669804"	761.138602	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+Cl"	34.969402
"1277105"	277.025802	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Cl"	34.969402
"22580"	521.061406	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M-2H+K"	36.948606
"458493"	763.117806	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M-2H+K"	36.948606
"836660"	279.005006	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-2H+K"	36.948606
"1559418"	279.005006	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+K-2H"	36.948606
"945113"	287.054594	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-H+HCOOH"	44.998194
"361744"	529.111001	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+HCOOH-H"	44.998201
"346484"	543.126651	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+Hac-H"	59.013851
"1492849"	301.070251	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Hac-H"	59.013851
"968704"	309.036551	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-H+NaCOOH"	66.980151
"118703"	277.025802	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+2Cl"	69.938804
"564822"	398.054002	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+2Cl"	69.938804
"1030342"	155.997602	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2Cl"	69.938804
"1251015"	320.975285	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Br"	78.918885
"1314555"	323.031272	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Cl+HCOOH"	80.974872
"1327678"	345.013229	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Cl+NaCOOH"	102.956829
"916549"	355.041986	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M-H+CF3COOH"	112.985586
"1291070"	391.018664	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Cl+CF3COOH"	148.962264
"1372513"	207.043724	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H-2H2O"	-35.012676
"1392196"	225.0537	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H-H2O"	-17.0027
"296260"	485.120076	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+H"	1.007276
"687586"	727.176476	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+H"	1.007276
"1360653"	243.063676	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H"	1.007276
"140105"	243.063676	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+2H"	2.014552
"581127"	364.091876	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+2H"	2.014552
"1047370"	122.035476	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2H"	2.014552
"208709"	162.378209333333	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+3H"	3.021828
"650457"	243.063676	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+3H"	3.021828
"1167489"	81.6927426666667	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+3H"	3.021828
"428574"	502.146623	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+NH4"	18.033823
"793944"	744.203023	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+NH4"	18.033823
"1689183"	260.090223	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+NH4"	18.033823
"338557"	251.5769495	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+H+NH4"	19.041099
"729883"	372.6051495	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+H+NH4"	19.041099
"1484798"	130.5487495	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H+NH4"	19.041099
"396918"	507.102018	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+Na"	22.989218
"757913"	749.158418	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+Na"	22.989218
"1605643"	265.045618	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Na"	22.989218
"318236"	254.054647	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+H+Na"	23.996494
"707856"	375.082847	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+H+Na"	23.996494
"1462405"	133.026447	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H+Na"	23.996494
"1053585"	89.0200566666667	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2H+Na"	25.00377
"1257569"	275.089886	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+CH3OH+H"	33.033486
"378087"	523.075958	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+K"	38.963158
"743347"	765.132358	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+K"	38.963158
"1544308"	281.019558	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+K"	38.963158
"304770"	262.041617	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+H+K"	39.970434
"702660"	383.069817	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+H+K"	39.970434
"1457576"	141.013417	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H+K"	39.970434
"245083"	526.146626	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+ACN+H"	42.033826
"1217795"	284.090226	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+ACN+H"	42.033826
"1199492"	142.548751	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+ACN+2H"	43.041102
"201113"	529.08396	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+2Na-H"	44.97116
"635207"	771.14036	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+2Na-H"	44.97116
"1143087"	287.02756	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2Na-H"	44.97116
"183098"	265.045618	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+2Na"	45.978436
"618284"	386.073818	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+2Na"	45.978436
"1118872"	144.017418	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2Na"	45.978436
"1404220"	96.3473706666667	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H+2Na"	46.985712
"1433419"	289.069146	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H+HCOOH"	47.012746
"226031"	270.07864	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+3H2O+2H"	56.04448
"1509718"	303.12119	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+IsoProp+H"	61.06479
"418154"	273.032588	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+Na+K"	61.952376
"780243"	394.060788	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+Na+K"	61.952376
"1672563"	152.004388	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Na+K"	61.952376
"257626"	548.128568	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+ACN+Na"	64.015768
"1227783"	306.072168	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+ACN+Na"	64.015768
"1714115"	306.095693	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+NH4+HCOOH"	64.039293
"1179955"	103.674684666667	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+3Na"	68.967654
"1652279"	311.051088	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Na+HCOOH"	68.994688
"157481"	561.03184	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+2K-H"	76.91904
"599433"	803.08824	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+2K-H"	76.91904
"1084207"	318.97544	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2K-H"	76.91904
"142097"	281.019558	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"2M+2K"	77.926316
"581390"	402.047758	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"3M+2K"	77.926316
"1076144"	159.991358	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2K"	77.926316
"1114461"	320.989992	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2K+H"	78.933592
"1350847"	321.077607	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+DMSO+H"	79.021207
"1020225"	325.116776	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2ACN+H"	83.060376
"1537498"	326.110408	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+IsoProp+Na+H"	84.054008
"1003216"	163.062026	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+2ACN+2H"	84.067652
"1601000"	327.025028	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+K+HCOOH"	84.968628
"1426660"	357.056538	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+H+CF3COOH"	115.000138
"1158041"	183.575301	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+3ACN+2H"	125.094202
"1708686"	374.083085	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+NH4+CF3COOH"	132.026685
"1639233"	379.03848	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+Na+CF3COOH"	136.98208
"1578894"	395.01242	"C18687"	"Ethoprophos"	"C8H19O2PS2"	"242.0564"	"M+K+CF3COOH"	152.95602
"803794"	224.045	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M"	0
"976232"	205.02661	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-H2O-H"	-19.01839
"72130"	148.356057333333	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M-3H"	-3.021828
"509503"	223.037724	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M-3H"	-3.021828
"884024"	73.6743906666667	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-3H"	-3.021828
"367"	223.037724	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M-2H"	-2.014552
"441064"	335.060224	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M-2H"	-2.014552
"817651"	111.015224	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-2H"	-2.014552
"93458"	447.082724	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M-H"	-1.007276
"533263"	671.127724	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M-H"	-1.007276
"910214"	223.037724	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-H"	-1.007276
"53894"	464.109271	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M-2H+NH4"	16.019271
"497827"	688.154271	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M-2H+NH4"	16.019271
"879396"	240.064271	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-2H+NH4"	16.019271
"42436"	469.064666	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M-2H+Na"	20.974666
"486495"	693.109666	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M-2H+Na"	20.974666
"863892"	245.019666	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-2H+Na"	20.974666
"1633219"	245.019666	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Na-2H"	20.974666
"104767"	241.026063	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M-H+Cl"	33.962126
"547607"	353.048563	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M-H+Cl"	33.962126
"934561"	129.003563	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-H+Cl"	33.962126
"276397"	483.059402	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+Cl"	34.969402
"669914"	707.104402	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+Cl"	34.969402
"1277215"	259.014402	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Cl"	34.969402
"22690"	485.038606	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M-2H+K"	36.948606
"458968"	709.083606	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M-2H+K"	36.948606
"836770"	260.993606	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-2H+K"	36.948606
"1562444"	260.993606	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+K-2H"	36.948606
"945952"	269.043194	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-H+HCOOH"	44.998194
"362461"	493.088201	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+HCOOH-H"	44.998201
"347075"	507.103851	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+Hac-H"	59.013851
"1493234"	283.058851	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Hac-H"	59.013851
"971001"	291.025151	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-H+NaCOOH"	66.980151
"119906"	259.014402	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+2Cl"	69.938804
"563839"	371.036902	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+2Cl"	69.938804
"1027171"	146.991902	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2Cl"	69.938804
"1244562"	302.963885	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Br"	78.918885
"1308104"	305.019872	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Cl+HCOOH"	80.974872
"1321590"	327.001829	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Cl+NaCOOH"	102.956829
"911439"	337.030586	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M-H+CF3COOH"	112.985586
"1291182"	373.007264	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Cl+CF3COOH"	148.962264
"1373717"	189.032324	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H-2H2O"	-35.012676
"1390120"	207.0423	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H-H2O"	-17.0027
"295276"	449.097276	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+H"	1.007276
"682228"	673.142276	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+H"	1.007276
"1360763"	225.052276	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H"	1.007276
"134748"	225.052276	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+2H"	2.014552
"574307"	337.074776	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+2H"	2.014552
"1045293"	113.029776	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2H"	2.014552
"207727"	150.370609333333	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+3H"	3.021828
"650564"	225.052276	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+3H"	3.021828
"1166506"	75.6889426666667	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+3H"	3.021828
"428683"	466.123823	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+NH4"	18.033823
"792961"	690.168823	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+NH4"	18.033823
"1687107"	242.078823	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+NH4"	18.033823
"339760"	233.5655495	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+H+NH4"	19.041099
"731088"	345.5880495	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+H+NH4"	19.041099
"1482721"	121.5430495	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H+NH4"	19.041099
"397028"	471.079218	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+Na"	22.989218
"758025"	695.124218	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+Na"	22.989218
"1605757"	247.034218	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Na"	22.989218
"319439"	236.043247	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+H+Na"	23.996494
"707481"	348.065747	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+H+Na"	23.996494
"1461784"	124.020747	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H+Na"	23.996494
"1053329"	83.0162566666667	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2H+Na"	25.00377
"1257560"	257.078486	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+CH3OH+H"	33.033486
"377591"	487.053158	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+K"	38.963158
"738550"	711.098158	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+K"	38.963158
"1543324"	263.008158	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+K"	38.963158
"301958"	244.030217	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+H+K"	39.970434
"692562"	356.052717	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+H+K"	39.970434
"1447111"	132.007717	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H+K"	39.970434
"235994"	490.123826	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+ACN+H"	42.033826
"1216812"	266.078826	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+ACN+H"	42.033826
"1199602"	133.543051	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+ACN+2H"	43.041102
"202196"	493.06116	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+2Na-H"	44.97116
"641514"	717.10616	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+2Na-H"	44.97116
"1144290"	269.01616	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2Na-H"	44.97116
"183208"	247.034218	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+2Na"	45.978436
"621675"	359.056718	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+2Na"	45.978436
"1121900"	135.011718	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2Na"	45.978436
"1405424"	90.3435706666667	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H+2Na"	46.985712
"1436445"	271.057746	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H+HCOOH"	47.012746
"221400"	252.06724	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+3H2O+2H"	56.04448
"1510190"	285.10979	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+IsoProp+H"	61.06479
"420451"	255.021188	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+Na+K"	61.952376
"780353"	367.043688	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+Na+K"	61.952376
"1675589"	142.998688	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Na+K"	61.952376
"255913"	512.105768	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+ACN+Na"	64.015768
"1230808"	288.060768	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+ACN+Na"	64.015768
"1715320"	288.084293	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+NH4+HCOOH"	64.039293
"1185778"	97.6708846666667	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+3Na"	68.967654
"1650688"	293.039688	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Na+HCOOH"	68.994688
"157303"	525.00904	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+2K-H"	76.91904
"599543"	749.05404	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+2K-H"	76.91904
"1084372"	300.96404	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2K-H"	76.91904
"141721"	263.008158	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"2M+2K"	77.926316
"581763"	375.030658	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"3M+2K"	77.926316
"1075162"	150.985658	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2K"	77.926316
"1113355"	302.978592	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2K+H"	78.933592
"1349619"	303.066207	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+DMSO+H"	79.021207
"1019606"	307.105376	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2ACN+H"	83.060376
"1536878"	308.099008	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+IsoProp+Na+H"	84.054008
"1001141"	154.056326	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+2ACN+2H"	84.067652
"1598924"	309.013628	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+K+HCOOH"	84.968628
"1429328"	339.045138	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+H+CF3COOH"	115.000138
"1158151"	174.569601	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+3ACN+2H"	125.094202
"1712078"	356.071685	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+NH4+CF3COOH"	132.026685
"1647728"	361.02708	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+Na+CF3COOH"	136.98208
"1582285"	377.00102	"C18688"	"Mevinphos"	"C7H13O6P"	"224.045"	"M+K+CF3COOH"	152.95602
"802811"	299.0689	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M"	0
"980717"	280.05051	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-H2O-H"	-19.01839
"72240"	198.371990666667	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M-3H"	-3.021828
"509613"	298.061624	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M-3H"	-3.021828
"884134"	98.6823573333333	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-3H"	-3.021828
"1252"	298.061624	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M-2H"	-2.014552
"441902"	447.596074	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M-2H"	-2.014552
"817762"	148.527174	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-2H"	-2.014552
"91984"	597.130524	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M-H"	-1.007276
"534151"	896.199424	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M-H"	-1.007276
"905097"	298.061624	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-H"	-1.007276
"56191"	614.157071	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M-2H+NH4"	16.019271
"501585"	913.225971	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M-2H+NH4"	16.019271
"878903"	315.088171	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-2H+NH4"	16.019271
"44733"	619.112466	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M-2H+Na"	20.974666
"486728"	918.181366	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M-2H+Na"	20.974666
"863923"	320.043566	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-2H+Na"	20.974666
"1634124"	320.043566	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Na-2H"	20.974666
"107064"	316.049963	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M-H+Cl"	33.962126
"549853"	465.584413	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M-H+Cl"	33.962126
"936858"	166.515513	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-H+Cl"	33.962126
"282341"	633.107202	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+Cl"	34.969402
"670022"	932.176102	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+Cl"	34.969402
"1278054"	334.038302	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Cl"	34.969402
"18423"	635.086406	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M-2H+K"	36.948606
"461266"	934.155306	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M-2H+K"	36.948606
"835787"	336.017506	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-2H+K"	36.948606
"1563646"	336.017506	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+K-2H"	36.948606
"944971"	344.067094	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-H+HCOOH"	44.998194
"362453"	643.136001	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+HCOOH-H"	44.998201
"347066"	657.151651	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+Hac-H"	59.013851
"1493344"	358.082751	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Hac-H"	59.013851
"972935"	366.049051	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-H+NaCOOH"	66.980151
"118923"	334.038302	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+2Cl"	69.938804
"565046"	483.572752	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+2Cl"	69.938804
"1030562"	184.503852	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2Cl"	69.938804
"1253420"	377.987785	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Br"	78.918885
"1308214"	380.043772	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Cl+HCOOH"	80.974872
"1321335"	402.025729	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Cl+NaCOOH"	102.956829
"913852"	412.054486	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M-H+CF3COOH"	112.985586
"1291292"	448.031164	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Cl+CF3COOH"	148.962264
"1373827"	264.056224	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H-2H2O"	-35.012676
"1391323"	282.0662	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H-H2O"	-17.0027
"294292"	599.145076	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+H"	1.007276
"682338"	898.213976	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+H"	1.007276
"1360873"	300.076176	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H"	1.007276
"138869"	300.076176	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+2H"	2.014552
"580819"	449.610626	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+2H"	2.014552
"1050870"	150.541726	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2H"	2.014552
"208930"	200.386542666667	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+3H"	3.021828
"649582"	300.076176	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+3H"	3.021828
"1168804"	100.696909333333	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+3H"	3.021828
"428429"	616.171623	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+NH4"	18.033823
"794164"	915.240523	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+NH4"	18.033823
"1689404"	317.102723	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+NH4"	18.033823
"337683"	308.5894495	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+H+NH4"	19.041099
"729011"	458.1238995	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+H+NH4"	19.041099
"1482831"	159.0549995	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H+NH4"	19.041099
"397138"	621.127018	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+Na"	22.989218
"757042"	920.195918	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+Na"	22.989218
"1605139"	322.058118	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Na"	22.989218
"317364"	311.067147	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+H+Na"	23.996494
"708323"	460.601597	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+H+Na"	23.996494
"1463963"	161.532697	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H+Na"	23.996494
"1054293"	108.024223333333	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2H+Na"	25.00377
"1258279"	332.102386	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+CH3OH+H"	33.033486
"379286"	637.100958	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+K"	38.963158
"738943"	936.169858	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+K"	38.963158
"1541612"	338.032058	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+K"	38.963158
"300975"	319.054117	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+H+K"	39.970434
"693401"	468.588567	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+H+K"	39.970434
"1447948"	169.519667	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H+K"	39.970434
"236672"	640.171626	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+ACN+H"	42.033826
"1218015"	341.102726	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+ACN+H"	42.033826
"1197525"	171.055001	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+ACN+2H"	43.041102
"193677"	643.10896	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+2Na-H"	44.97116
"637613"	942.17786	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+2Na-H"	44.97116
"1134191"	344.04006	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2Na-H"	44.97116
"177849"	322.058118	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+2Na"	45.978436
"616678"	471.592568	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+2Na"	45.978436
"1118727"	172.523668	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2Na"	45.978436
"1404072"	115.351537333333	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H+2Na"	46.985712
"1434367"	346.081646	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H+HCOOH"	47.012746
"221877"	327.09114	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+3H2O+2H"	56.04448
"1509326"	360.13369	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+IsoProp+H"	61.06479
"420561"	330.045088	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+Na+K"	61.952376
"777183"	479.579538	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+Na+K"	61.952376
"1670595"	180.510638	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Na+K"	61.952376
"256022"	662.153568	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+ACN+Na"	64.015768
"1229459"	363.084668	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+ACN+Na"	64.015768
"1715065"	363.108193	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+NH4+HCOOH"	64.039293
"1180053"	122.678851333333	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+3Na"	68.967654
"1650430"	368.063588	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Na+HCOOH"	68.994688
"157536"	675.05684	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+2K-H"	76.91904
"598924"	974.12574	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+2K-H"	76.91904
"1085012"	375.98794	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2K-H"	76.91904
"143525"	338.032058	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"2M+2K"	77.926316
"582114"	487.566508	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"3M+2K"	77.926316
"1075272"	188.497608	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2K"	77.926316
"1108481"	378.002492	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2K+H"	78.933592
"1343773"	378.090107	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+DMSO+H"	79.021207
"1018987"	382.129276	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2ACN+H"	83.060376
"1533708"	383.122908	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+IsoProp+Na+H"	84.054008
"1004896"	191.568276	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+2ACN+2H"	84.067652
"1600126"	384.037528	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+K+HCOOH"	84.968628
"1422506"	414.069038	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+H+CF3COOH"	115.000138
"1153887"	212.081551	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+3ACN+2H"	125.094202
"1711827"	431.095585	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+NH4+CF3COOH"	132.026685
"1647838"	436.05098	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+Na+CF3COOH"	136.98208
"1582395"	452.02492	"C18689"	"Phosphamidon"	"C10H19ClNO5P"	"299.0689"	"M+K+CF3COOH"	152.95602
"806202"	260.0128	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M"	0
"980827"	240.99441	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-H2O-H"	-19.01839
"63964"	172.334590666667	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M-3H"	-3.021828
"503889"	259.005524	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M-3H"	-3.021828
"884239"	85.6636573333333	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-3H"	-3.021828
"1114"	259.005524	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M-2H"	-2.014552
"441644"	389.011924	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M-2H"	-2.014552
"818361"	128.999124	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-2H"	-2.014552
"92214"	519.018324	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M-H"	-1.007276
"533481"	779.031124	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M-H"	-1.007276
"907393"	259.005524	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-H"	-1.007276
"58486"	536.044871	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M-2H+NH4"	16.019271
"495861"	796.057671	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M-2H+NH4"	16.019271
"877913"	276.032071	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-2H+NH4"	16.019271
"40470"	541.000266	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M-2H+Na"	20.974666
"485375"	801.013066	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M-2H+Na"	20.974666
"863176"	280.987466	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-2H+Na"	20.974666
"1628457"	280.987466	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Na-2H"	20.974666
"104987"	276.993863	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M-H+Cl"	33.962126
"544545"	407.000263	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M-H+Cl"	33.962126
"940246"	146.987463	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-H+Cl"	33.962126
"275523"	554.995002	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+Cl"	34.969402
"670133"	815.007802	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+Cl"	34.969402
"1283633"	294.982202	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Cl"	34.969402
"24003"	556.974206	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M-2H+K"	36.948606
"463562"	816.987006	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M-2H+K"	36.948606
"839177"	296.961406	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-2H+K"	36.948606
"1562664"	296.961406	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+K-2H"	36.948606
"947268"	305.010994	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-H+HCOOH"	44.998194
"362567"	565.023801	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+HCOOH-H"	44.998201
"346814"	579.039451	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+Hac-H"	59.013851
"1492850"	319.026651	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Hac-H"	59.013851
"971220"	326.992951	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-H+NaCOOH"	66.980151
"122313"	294.982202	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+2Cl"	69.938804
"561872"	424.988602	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+2Cl"	69.938804
"1032859"	164.975802	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2Cl"	69.938804
"1246968"	338.931685	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Br"	78.918885
"1305406"	340.987672	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Cl+HCOOH"	80.974872
"1320267"	362.969629	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Cl+NaCOOH"	102.956829
"913232"	372.998386	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M-H+CF3COOH"	112.985586
"1288642"	408.975064	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Cl+CF3COOH"	148.962264
"1370655"	225.000124	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H-2H2O"	-35.012676
"1391432"	243.0101	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H-H2O"	-17.0027
"291121"	521.032876	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+H"	1.007276
"685727"	781.045676	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+H"	1.007276
"1356608"	261.020076	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H"	1.007276
"138249"	261.020076	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+2H"	2.014552
"580726"	391.026476	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+2H"	2.014552
"1052198"	131.013676	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2H"	2.014552
"213416"	174.349142666667	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+3H"	3.021828
"648235"	261.020076	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+3H"	3.021828
"1171102"	87.6782093333334	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+3H"	3.021828
"429999"	538.059423	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+NH4"	18.033823
"792086"	798.072223	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+NH4"	18.033823
"1687327"	278.046623	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+NH4"	18.033823
"333419"	269.5333495	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+H+NH4"	19.041099
"725109"	399.5397495	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+H+NH4"	19.041099
"1480754"	139.5269495	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H+NH4"	19.041099
"397248"	543.014818	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+Na"	22.989218
"755330"	803.027618	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+Na"	22.989218
"1603669"	283.002018	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Na"	22.989218
"315772"	272.011047	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+H+Na"	23.996494
"709159"	402.017447	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+H+Na"	23.996494
"1463708"	142.004647	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H+Na"	23.996494
"1055130"	95.0055233333333	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2H+Na"	25.00377
"1258997"	293.046286	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+CH3OH+H"	33.033486
"378544"	558.988758	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+K"	38.963158
"739661"	819.001558	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+K"	38.963158
"1540993"	298.975958	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+K"	38.963158
"301450"	279.998017	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+H+K"	39.970434
"693510"	410.004417	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+H+K"	39.970434
"1446963"	149.991617	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H+K"	39.970434
"236052"	562.059426	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+ACN+H"	42.033826
"1213750"	302.046626	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+ACN+H"	42.033826
"1198727"	151.526951	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+ACN+2H"	43.041102
"191233"	564.99676	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+2Na-H"	44.97116
"630792"	825.00956	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+2Na-H"	44.97116
"1135026"	304.98396	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2Na-H"	44.97116
"181239"	283.002018	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+2Na"	45.978436
"615329"	413.008418	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+2Na"	45.978436
"1119564"	152.995618	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2Na"	45.978436
"1403088"	102.332837333333	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H+2Na"	46.985712
"1431557"	307.025546	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H+HCOOH"	47.012746
"221375"	288.03504	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+3H2O+2H"	56.04448
"1510044"	321.07759	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+IsoProp+H"	61.06479
"419578"	290.988988	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+Na+K"	61.952376
"780573"	420.995388	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+Na+K"	61.952376
"1673622"	160.982588	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Na+K"	61.952376
"258319"	584.041368	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+ACN+Na"	64.015768
"1232850"	324.028568	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+ACN+Na"	64.015768
"1718455"	324.052093	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+NH4+HCOOH"	64.039293
"1181259"	109.660151333333	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+3Na"	68.967654
"1650545"	329.007488	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Na+HCOOH"	68.994688
"160567"	596.94464	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+2K-H"	76.91904
"600127"	856.95744	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+2K-H"	76.91904
"1086094"	336.93184	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2K-H"	76.91904
"144365"	298.975958	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"2M+2K"	77.926316
"584419"	428.982358	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"3M+2K"	77.926316
"1076476"	168.969558	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2K"	77.926316
"1110778"	338.946392	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2K+H"	78.933592
"1348257"	339.034007	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+DMSO+H"	79.021207
"1020798"	343.073176	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2ACN+H"	83.060376
"1538801"	344.066808	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+IsoProp+Na+H"	84.054008
"1004277"	172.040226	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+2ACN+2H"	84.067652
"1594769"	344.981428	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+K+HCOOH"	84.968628
"1422616"	375.012938	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+H+CF3COOH"	115.000138
"1155090"	192.553501	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+3ACN+2H"	125.094202
"1712301"	392.039485	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+NH4+CF3COOH"	132.026685
"1647948"	396.99488	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+Na+CF3COOH"	136.98208
"1582505"	412.96882	"C18690"	"Phorate"	"C7H17O2PS3"	"260.0128"	"M+K+CF3COOH"	152.95602
"803031"	322.0227	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M"	0
"974427"	303.00431	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-H2O-H"	-19.01839
"63003"	213.674524	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M-3H"	-3.021828
"502951"	321.015424	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M-3H"	-3.021828
"883256"	106.333624	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-3H"	-3.021828
"251"	321.015424	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M-2H"	-2.014552
"440216"	482.026774	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M-2H"	-2.014552
"817108"	160.004074	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-2H"	-2.014552
"91230"	643.038124	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M-H"	-1.007276
"530794"	965.060824	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M-H"	-1.007276
"907502"	321.015424	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-H"	-1.007276
"54223"	660.064671	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M-2H+NH4"	16.019271
"492689"	982.087371	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M-2H+NH4"	16.019271
"874864"	338.041971	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-2H+NH4"	16.019271
"42764"	665.020066	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M-2H+Na"	20.974666
"482326"	987.042766	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M-2H+Na"	20.974666
"861949"	342.997366	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-2H+Na"	20.974666
"1631119"	342.997366	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Na-2H"	20.974666
"107282"	339.003763	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M-H+Cl"	33.962126
"539188"	500.015113	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M-H+Cl"	33.962126
"935983"	177.992413	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-H+Cl"	33.962126
"276725"	679.014802	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+Cl"	34.969402
"671337"	1001.037502	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+Cl"	34.969402
"1281556"	356.992102	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Cl"	34.969402
"24113"	680.994006	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M-2H+K"	36.948606
"466952"	1003.016706	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M-2H+K"	36.948606
"840382"	358.971306	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-2H+K"	36.948606
"1562774"	358.971306	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+K-2H"	36.948606
"947378"	367.020894	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-H+HCOOH"	44.998194
"362313"	689.043601	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+HCOOH-H"	44.998201
"345712"	703.059251	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+Hac-H"	59.013851
"1492955"	381.036551	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Hac-H"	59.013851
"971696"	389.002851	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-H+NaCOOH"	66.980151
"121331"	356.992102	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+2Cl"	69.938804
"563076"	518.003452	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+2Cl"	69.938804
"1028596"	195.980752	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2Cl"	69.938804
"1244893"	400.941585	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Br"	78.918885
"1305517"	402.997572	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Cl+HCOOH"	80.974872
"1322650"	424.979529	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Cl+NaCOOH"	102.956829
"916989"	435.008286	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M-H+CF3COOH"	112.985586
"1290418"	470.984964	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Cl+CF3COOH"	148.962264
"1367606"	287.010024	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H-2H2O"	-35.012676
"1386074"	305.02	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H-H2O"	-17.0027
"283004"	645.052676	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+H"	1.007276
"675660"	967.075376	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+H"	1.007276
"1351734"	323.029976	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H"	1.007276
"137264"	323.029976	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+2H"	2.014552
"575730"	484.041326	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+2H"	2.014552
"1049998"	162.018626	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2H"	2.014552
"210247"	215.689076	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+3H"	3.021828
"651993"	323.029976	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+3H"	3.021828
"1169026"	108.348176	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+3H"	3.021828
"427922"	662.079223	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+NH4"	18.033823
"791102"	984.101923	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+NH4"	18.033823
"1686342"	340.056523	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+NH4"	18.033823
"336810"	331.5432495	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+H+NH4"	19.041099
"725951"	492.5545995	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+H+NH4"	19.041099
"1478684"	170.5318995	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H+NH4"	19.041099
"393060"	667.034618	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+Na"	22.989218
"754509"	989.057318	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+Na"	22.989218
"1602966"	345.011918	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Na"	22.989218
"314378"	334.020947	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+H+Na"	23.996494
"707243"	495.032297	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+H+Na"	23.996494
"1461997"	173.009597	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H+Na"	23.996494
"1053051"	115.67549	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2H+Na"	25.00377
"1257160"	355.056186	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+CH3OH+H"	33.033486
"377195"	683.008558	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+K"	38.963158
"739526"	1005.031258	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+K"	38.963158
"1541469"	360.985858	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+K"	38.963158
"300106"	342.007917	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+H+K"	39.970434
"693256"	503.019267	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+H+K"	39.970434
"1445772"	180.996567	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H+K"	39.970434
"235955"	686.079226	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+ACN+H"	42.033826
"1214226"	364.056526	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+ACN+H"	42.033826
"1199934"	182.531901	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+ACN+2H"	43.041102
"193168"	689.01656	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+2Na-H"	44.97116
"633822"	1011.03926	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+2Na-H"	44.97116
"1134047"	366.99386	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2Na-H"	44.97116
"181349"	345.011918	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+2Na"	45.978436
"623096"	506.023268	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+2Na"	45.978436
"1123322"	184.000568	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2Na"	45.978436
"1405022"	123.002804	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H+2Na"	46.985712
"1433859"	369.035446	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H+HCOOH"	47.012746
"222461"	350.04494	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+3H2O+2H"	56.04448
"1517815"	383.08749	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+IsoProp+H"	61.06479
"414222"	352.998888	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+Na+K"	61.952376
"776309"	514.010238	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+Na+K"	61.952376
"1673732"	191.987538	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Na+K"	61.952376
"255876"	708.061168	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+ACN+Na"	64.015768
"1229679"	386.038468	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+ACN+Na"	64.015768
"1715284"	386.061993	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+NH4+HCOOH"	64.039293
"1180639"	130.330118	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+3Na"	68.967654
"1650409"	391.017388	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Na+HCOOH"	68.994688
"159584"	720.96444	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+2K-H"	76.91904
"597477"	1042.98714	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+2K-H"	76.91904
"1084379"	398.94174	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2K-H"	76.91904
"141681"	360.985858	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"2M+2K"	77.926316
"582097"	521.997208	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"3M+2K"	77.926316
"1077680"	199.974508	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2K"	77.926316
"1109795"	400.956292	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2K+H"	78.933592
"1350191"	401.043907	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+DMSO+H"	79.021207
"1021304"	405.083076	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2ACN+H"	83.060376
"1539644"	406.076708	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+IsoProp+Na+H"	84.054008
"1005238"	203.045176	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+2ACN+2H"	84.067652
"1594879"	406.991328	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+K+HCOOH"	84.968628
"1422726"	437.022838	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+H+CF3COOH"	115.000138
"1155200"	223.558451	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+3ACN+2H"	125.094202
"1712046"	454.049385	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+NH4+CF3COOH"	132.026685
"1643685"	459.00478	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+Na+CF3COOH"	136.98208
"1579335"	474.97872	"C18691"	"Sulfotep"	"C8H20O5P2S2"	"322.0227"	"M+K+CF3COOH"	152.95602
"803141"	318.1167	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M"	0
"975213"	299.09831	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-H2O-H"	-19.01839
"63453"	211.070524	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M-3H"	-3.021828
"504837"	317.109424	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M-3H"	-3.021828
"883366"	105.031624	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-3H"	-3.021828
"2061"	317.109424	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M-2H"	-2.014552
"441622"	476.167774	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M-2H"	-2.014552
"817437"	158.051074	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-2H"	-2.014552
"88057"	635.226124	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M-H"	-1.007276
"531999"	953.342824	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M-H"	-1.007276
"901053"	317.109424	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-H"	-1.007276
"54335"	652.252671	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M-2H+NH4"	16.019271
"494987"	970.369371	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M-2H+NH4"	16.019271
"870601"	334.135971	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-2H+NH4"	16.019271
"42874"	657.208066	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M-2H+Na"	20.974666
"482435"	975.324766	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M-2H+Na"	20.974666
"859142"	339.091366	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-2H+Na"	20.974666
"1628677"	339.091366	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Na-2H"	20.974666
"106299"	335.097763	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M-H+Cl"	33.962126
"539299"	494.156113	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M-H+Cl"	33.962126
"934999"	176.039413	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-H+Cl"	33.962126
"274649"	671.202802	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+Cl"	34.969402
"664517"	989.319502	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+Cl"	34.969402
"1284946"	353.086102	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Cl"	34.969402
"23128"	673.182006	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M-2H+K"	36.948606
"464874"	991.298706	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M-2H+K"	36.948606
"836114"	355.065306	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-2H+K"	36.948606
"1570055"	355.065306	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+K-2H"	36.948606
"947488"	363.114894	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-H+HCOOH"	44.998194
"366799"	681.231601	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+HCOOH-H"	44.998201
"348496"	695.247251	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+Hac-H"	59.013851
"1495504"	377.130551	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Hac-H"	59.013851
"971806"	385.096851	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-H+NaCOOH"	66.980151
"122900"	353.086102	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+2Cl"	69.938804
"561730"	512.144452	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+2Cl"	69.938804
"1031987"	194.027752	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2Cl"	69.938804
"1241723"	397.035585	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Br"	78.918885
"1305265"	399.091572	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Cl+HCOOH"	80.974872
"1324948"	421.073529	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Cl+NaCOOH"	102.956829
"913820"	431.102286	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M-H+CF3COOH"	112.985586
"1292714"	467.078964	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Cl+CF3COOH"	148.962264
"1367839"	283.104024	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H-2H2O"	-35.012676
"1383999"	301.114	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H-H2O"	-17.0027
"283440"	637.240676	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+H"	1.007276
"676222"	955.357376	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+H"	1.007276
"1357922"	319.123976	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H"	1.007276
"134093"	319.123976	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+2H"	2.014552
"573654"	478.182326	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+2H"	2.014552
"1051445"	160.065626	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2H"	2.014552
"210358"	213.085076	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+3H"	3.021828
"647732"	319.123976	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+3H"	3.021828
"1167314"	107.046176	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+3H"	3.021828
"430220"	654.267223	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+NH4"	18.033823
"790120"	972.383923	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+NH4"	18.033823
"1686455"	336.150523	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+NH4"	18.033823
"333643"	327.6372495	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+H+NH4"	19.041099
"727157"	486.6955995	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+H+NH4"	19.041099
"1477332"	168.5788995	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H+NH4"	19.041099
"393822"	659.222618	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+Na"	22.989218
"754822"	977.339318	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+Na"	22.989218
"1604126"	341.105918	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Na"	22.989218
"315142"	330.114947	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+H+Na"	23.996494
"708290"	489.173297	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+H+Na"	23.996494
"1462477"	171.056597	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H+Na"	23.996494
"1054267"	114.37349	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2H+Na"	25.00377
"1259223"	351.150186	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+CH3OH+H"	33.033486
"377915"	675.196558	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+K"	38.963158
"740000"	993.313258	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+K"	38.963158
"1540606"	357.079858	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+K"	38.963158
"298751"	338.101917	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+H+K"	39.970434
"695553"	497.160267	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+H+K"	39.970434
"1446006"	179.043567	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H+K"	39.970434
"235831"	678.267226	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+ACN+H"	42.033826
"1216159"	360.150526	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+ACN+H"	42.033826
"1195664"	180.578901	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+ACN+2H"	43.041102
"194736"	681.20456	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+2Na-H"	44.97116
"636848"	999.32126	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+2Na-H"	44.97116
"1134521"	363.08786	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2Na-H"	44.97116
"177448"	341.105918	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+2Na"	45.978436
"621383"	500.164268	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+2Na"	45.978436
"1124524"	182.047568	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2Na"	45.978436
"1408048"	121.700804	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H+2Na"	46.985712
"1437977"	365.129446	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H+HCOOH"	47.012746
"222935"	346.13894	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+3H2O+2H"	56.04448
"1511727"	379.18149	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+IsoProp+H"	61.06479
"413239"	349.092888	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+Na+K"	61.952376
"773503"	508.151238	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+Na+K"	61.952376
"1674935"	190.034538	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Na+K"	61.952376
"252341"	700.249168	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+ACN+Na"	64.015768
"1226505"	382.132468	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+ACN+Na"	64.015768
"1714300"	382.155993	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+NH4+HCOOH"	64.039293
"1181842"	129.028118	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+3Na"	68.967654
"1650394"	387.111388	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Na+HCOOH"	68.994688
"157584"	713.15244	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+2K-H"	76.91904
"598031"	1031.26914	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+2K-H"	76.91904
"1084974"	395.03574	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2K-H"	76.91904
"141951"	357.079858	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"2M+2K"	77.926316
"582078"	516.138208	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"3M+2K"	77.926316
"1084121"	198.021508	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2K"	77.926316
"1115553"	397.050292	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2K+H"	78.933592
"1350666"	397.137907	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+DMSO+H"	79.021207
"1018708"	401.177076	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2ACN+H"	83.060376
"1539468"	402.170708	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+IsoProp+Na+H"	84.054008
"1003525"	201.092176	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+2ACN+2H"	84.067652
"1594989"	403.085328	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+K+HCOOH"	84.968628
"1422836"	433.116838	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+H+CF3COOH"	115.000138
"1154217"	221.605451	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+3ACN+2H"	125.094202
"1712157"	450.143385	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+NH4+CF3COOH"	132.026685
"1647075"	455.09878	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+Na+CF3COOH"	136.98208
"1579445"	471.07272	"C18692"	"Tebupirimfos;Tebupirimphos"	"C13H23N2O3PS"	"318.1167"	"M+K+CF3COOH"	152.95602
"805437"	288.0441	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M"	0
"975810"	269.02571	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-H2O-H"	-19.01839
"65022"	191.022124	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M-3H"	-3.021828
"506769"	287.036824	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M-3H"	-3.021828
"885663"	95.007424	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-3H"	-3.021828
"1320"	287.036824	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M-2H"	-2.014552
"442338"	431.058874	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M-2H"	-2.014552
"818080"	143.014774	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-2H"	-2.014552
"88167"	575.080924	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M-H"	-1.007276
"527734"	863.125024	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M-H"	-1.007276
"901163"	287.036824	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-H"	-1.007276
"54445"	592.107471	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M-2H+NH4"	16.019271
"494004"	880.151571	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M-2H+NH4"	16.019271
"868888"	304.063371	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-2H+NH4"	16.019271
"36788"	597.062866	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M-2H+Na"	20.974666
"477078"	885.106966	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M-2H+Na"	20.974666
"858158"	309.018766	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-2H+Na"	20.974666
"1620403"	309.018766	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Na-2H"	20.974666
"102035"	305.025163	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M-H+Cl"	33.962126
"539409"	449.047213	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M-H+Cl"	33.962126
"938391"	161.003113	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-H+Cl"	33.962126
"271113"	611.057602	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+Cl"	34.969402
"664627"	899.101702	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+Cl"	34.969402
"1279586"	323.013502	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Cl"	34.969402
"23236"	613.036806	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M-2H+K"	36.948606
"464984"	901.080906	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M-2H+K"	36.948606
"838411"	324.992706	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-2H+K"	36.948606
"1569922"	324.992706	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+K-2H"	36.948606
"944317"	333.042294	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-H+HCOOH"	44.998194
"363627"	621.086401	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+HCOOH-H"	44.998201
"349699"	635.102051	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+Hac-H"	59.013851
"1494157"	347.057951	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Hac-H"	59.013851
"971187"	355.024251	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-H+NaCOOH"	66.980151
"123010"	323.013502	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+2Cl"	69.938804
"561111"	467.035552	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+2Cl"	69.938804
"1031733"	178.991452	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2Cl"	69.938804
"1242075"	366.962985	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Br"	78.918885
"1305860"	369.018972	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Cl+HCOOH"	80.974872
"1326151"	391.000929	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Cl+NaCOOH"	102.956829
"913930"	401.029686	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M-H+CF3COOH"	112.985586
"1292824"	437.006364	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Cl+CF3COOH"	148.962264
"1369163"	253.031424	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H-2H2O"	-35.012676
"1385202"	271.0414	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H-H2O"	-17.0027
"283144"	577.095476	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+H"	1.007276
"676455"	865.139576	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+H"	1.007276
"1358032"	289.051376	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H"	1.007276
"133110"	289.051376	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+2H"	2.014552
"574857"	433.073426	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+2H"	2.014552
"1050584"	145.029326	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2H"	2.014552
"210468"	193.036676	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+3H"	3.021828
"648205"	289.051376	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+3H"	3.021828
"1167059"	97.021976	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+3H"	3.021828
"431423"	594.122023	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+NH4"	18.033823
"797884"	882.166123	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+NH4"	18.033823
"1688749"	306.077923	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+NH4"	18.033823
"333753"	297.5646495	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+H+NH4"	19.041099
"727266"	441.5866995	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+H+NH4"	19.041099
"1477442"	153.5425995	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H+NH4"	19.041099
"393688"	599.077418	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+Na"	22.989218
"754926"	887.121518	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+Na"	22.989218
"1603753"	311.033318	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Na"	22.989218
"314885"	300.042347	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+H+Na"	23.996494
"708159"	444.064397	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+H+Na"	23.996494
"1462345"	156.020297	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H+Na"	23.996494
"1057291"	104.34929	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2H+Na"	25.00377
"1261156"	321.077586	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+CH3OH+H"	33.033486
"377455"	615.051358	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+K"	38.963158
"739379"	903.095458	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+K"	38.963158
"1540474"	327.007258	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+K"	38.963158
"299105"	308.029317	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+H+K"	39.970434
"695663"	452.051367	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+H+K"	39.970434
"1449483"	164.007267	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H+K"	39.970434
"236499"	618.122026	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+ACN+H"	42.033826
"1215540"	330.077926	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+ACN+H"	42.033826
"1196503"	165.542601	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+ACN+2H"	43.041102
"195575"	621.05936	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+2Na-H"	44.97116
"635136"	909.10346	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+2Na-H"	44.97116
"1134267"	333.01526	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2Na-H"	44.97116
"176463"	311.033318	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+2Na"	45.978436
"615657"	455.055368	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+2Na"	45.978436
"1119165"	167.011268	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2Na"	45.978436
"1400865"	111.676604	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H+2Na"	46.985712
"1433345"	335.056846	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H+HCOOH"	47.012746
"223041"	316.06634	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+3H2O+2H"	56.04448
"1511471"	349.10889	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+IsoProp+H"	61.06479
"418089"	319.020288	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+Na+K"	61.952376
"776530"	463.042338	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+Na+K"	61.952376
"1672859"	174.998238	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Na+K"	61.952376
"255369"	640.103968	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+ACN+Na"	64.015768
"1227713"	352.059868	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+ACN+Na"	64.015768
"1718785"	352.083393	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+NH4+HCOOH"	64.039293
"1186326"	119.003918	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+3Na"	68.967654
"1650628"	357.038788	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Na+HCOOH"	68.994688
"157612"	653.00724	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+2K-H"	76.91904
"598386"	941.05134	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+2K-H"	76.91904
"1085572"	364.96314	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2K-H"	76.91904
"143239"	327.007258	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"2M+2K"	77.926316
"583160"	471.029308	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"3M+2K"	77.926316
"1083942"	182.985208	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2K"	77.926316
"1112202"	366.977692	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2K+H"	78.933592
"1349438"	367.065307	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+DMSO+H"	79.021207
"1018089"	371.104476	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2ACN+H"	83.060376
"1537428"	372.098108	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+IsoProp+Na+H"	84.054008
"1002783"	186.055876	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+2ACN+2H"	84.067652
"1594006"	373.012728	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+K+HCOOH"	84.968628
"1421853"	403.044238	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+H+CF3COOH"	115.000138
"1155420"	206.569151	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+3ACN+2H"	125.094202
"1711537"	420.070785	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+NH4+CF3COOH"	132.026685
"1649372"	425.02618	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+Na+CF3COOH"	136.98208
"1582835"	441.00012	"C18693"	"Terbufos"	"C9H21O2PS3"	"288.0441"	"M+K+CF3COOH"	152.95602
"803725"	522.0831	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M"	0
"975798"	503.06471	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-H2O-H"	-19.01839
"64403"	347.048124	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M-3H"	-3.021828
"505786"	521.075824	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M-3H"	-3.021828
"884680"	173.020424	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-3H"	-3.021828
"1066"	521.075824	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M-2H"	-2.014552
"441719"	782.117374	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M-2H"	-2.014552
"817829"	260.034274	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-2H"	-2.014552
"88277"	1043.158924	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M-H"	-1.007276
"532582"	1565.242024	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M-H"	-1.007276
"905646"	521.075824	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-H"	-1.007276
"54553"	1060.185471	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M-2H+NH4"	16.019271
"497393"	1582.268571	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M-2H+NH4"	16.019271
"869726"	538.102371	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-2H+NH4"	16.019271
"37991"	1065.140866	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M-2H+Na"	20.974666
"480467"	1587.223966	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M-2H+Na"	20.974666
"858268"	543.057766	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-2H+Na"	20.974666
"1620876"	543.057766	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Na-2H"	20.974666
"98865"	539.064163	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M-H+Cl"	33.962126
"544985"	800.105713	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M-H+Cl"	33.962126
"935221"	278.022613	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-H+Cl"	33.962126
"271223"	1079.135602	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+Cl"	34.969402
"664373"	1601.218702	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+Cl"	34.969402
"1279696"	557.052502	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Cl"	34.969402
"23346"	1081.114806	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M-2H+K"	36.948606
"460717"	1603.197906	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M-2H+K"	36.948606
"838521"	559.031706	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-2H+K"	36.948606
"1563104"	559.031706	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+K-2H"	36.948606
"945520"	567.081294	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-H+HCOOH"	44.998194
"370298"	1089.164401	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+HCOOH-H"	44.998201
"349810"	1103.180051	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+Hac-H"	59.013851
"1494267"	581.096951	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Hac-H"	59.013851
"972390"	589.063251	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-H+NaCOOH"	66.980151
"121661"	557.052502	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+2Cl"	69.938804
"563408"	818.094052	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+2Cl"	69.938804
"1032207"	296.010952	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2Cl"	69.938804
"1245224"	601.001985	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Br"	78.918885
"1306579"	603.057972	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Cl+HCOOH"	80.974872
"1326261"	625.039929	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Cl+NaCOOH"	102.956829
"916226"	635.068686	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M-H+CF3COOH"	112.985586
"1296214"	671.045364	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Cl+CF3COOH"	148.962264
"1370003"	487.070424	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H-2H2O"	-35.012676
"1386405"	505.0804	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H-H2O"	-17.0027
"284024"	1045.173476	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+H"	1.007276
"677782"	1567.256576	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+H"	1.007276
"1358142"	523.090376	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H"	1.007276
"129939"	523.090376	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+2H"	2.014552
"576060"	784.131926	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+2H"	2.014552
"1050694"	262.048826	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2H"	2.014552
"210577"	349.062676	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+3H"	3.021828
"648316"	523.090376	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+3H"	3.021828
"1166804"	175.034976	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+3H"	3.021828
"432628"	1062.200023	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+NH4"	18.033823
"794713"	1584.283123	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+NH4"	18.033823
"1688861"	540.116923	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+NH4"	18.033823
"339330"	531.6036495	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+H+NH4"	19.041099
"731750"	792.6451995	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+H+NH4"	19.041099
"1478647"	270.5620995	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H+NH4"	19.041099
"394046"	1067.155418	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+Na"	22.989218
"755161"	1589.238518	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+Na"	22.989218
"1603499"	545.072318	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Na"	22.989218
"316819"	534.081347	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+H+Na"	23.996494
"708510"	795.122897	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+H+Na"	23.996494
"1463184"	273.039797	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H+Na"	23.996494
"1055214"	182.36229	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2H+Na"	25.00377
"1261265"	555.116586	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+CH3OH+H"	33.033486
"378747"	1083.129358	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+K"	38.963158
"738805"	1605.212458	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+K"	38.963158
"1540331"	561.046258	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+K"	38.963158
"299339"	542.068317	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+H+K"	39.970434
"693586"	803.109867	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+H+K"	39.970434
"1446066"	281.026767	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H+K"	39.970434
"236042"	1086.200026	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+ACN+H"	42.033826
"1218565"	564.116926	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+ACN+H"	42.033826
"1198072"	282.562101	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+ACN+2H"	43.041102
"199693"	1089.13736	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+2Na-H"	44.97116
"637067"	1611.22046	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+2Na-H"	44.97116
"1135469"	567.05426	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2Na-H"	44.97116
"176207"	545.072318	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+2Na"	45.978436
"617225"	806.113868	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+2Na"	45.978436
"1118543"	284.030768	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2Na"	45.978436
"1402433"	189.689604	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H+2Na"	46.985712
"1434549"	569.095846	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H+HCOOH"	47.012746
"224610"	550.10534	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+3H2O+2H"	56.04448
"1513403"	583.14789	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+IsoProp+H"	61.06479
"420386"	553.059288	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+Na+K"	61.952376
"779919"	814.100838	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+Na+K"	61.952376
"1677341"	292.017738	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Na+K"	61.952376
"258395"	1108.181968	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+ACN+Na"	64.015768
"1229644"	586.098868	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+ACN+Na"	64.015768
"1718895"	586.122393	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+NH4+HCOOH"	64.039293
"1186436"	197.016918	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+3Na"	68.967654
"1650860"	591.077788	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Na+HCOOH"	68.994688
"158694"	1121.08524	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+2K-H"	76.91904
"598617"	1643.16834	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+2K-H"	76.91904
"1086169"	599.00214	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2K-H"	76.91904
"143714"	561.046258	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"2M+2K"	77.926316
"583026"	822.087808	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"3M+2K"	77.926316
"1083729"	300.004708	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2K"	77.926316
"1111948"	601.016692	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2K+H"	78.933592
"1348697"	601.104307	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+DMSO+H"	79.021207
"1017956"	605.143476	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2ACN+H"	83.060376
"1537538"	606.137108	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+IsoProp+Na+H"	84.054008
"1002893"	303.075376	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+2ACN+2H"	84.067652
"1594116"	607.051728	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+K+HCOOH"	84.968628
"1421963"	637.083238	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+H+CF3COOH"	115.000138
"1155530"	323.588651	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+3ACN+2H"	125.094202
"1709461"	654.109785	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+NH4+CF3COOH"	132.026685
"1648389"	659.06518	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+Na+CF3COOH"	136.98208
"1582945"	675.03912	"C18694"	"Brodifacoum"	"C31H23BrO3"	"522.0831"	"M+K+CF3COOH"	152.95602
"804564"	538.0602	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M"	0
"975909"	519.04181	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-H2O-H"	-19.01839
"64149"	357.699524	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M-3H"	-3.021828
"505897"	537.052924	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M-3H"	-3.021828
"888070"	178.346124	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-3H"	-3.021828
"103"	537.052924	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M-2H"	-2.014552
"440057"	806.083024	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M-2H"	-2.014552
"820732"	268.022824	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-2H"	-2.014552
"88387"	1075.113124	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M-H"	-1.007276
"523572"	1613.173324	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M-H"	-1.007276
"905755"	537.052924	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-H"	-1.007276
"60131"	1092.139671	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M-2H+NH4"	16.019271
"497504"	1630.199871	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M-2H+NH4"	16.019271
"869108"	554.079471	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-2H+NH4"	16.019271
"37738"	1097.095066	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M-2H+Na"	20.974666
"481671"	1635.155266	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M-2H+Na"	20.974666
"858378"	559.034866	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-2H+Na"	20.974666
"1623539"	559.034866	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Na-2H"	20.974666
"104441"	555.041263	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M-H+Cl"	33.962126
"542909"	824.071363	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M-H+Cl"	33.962126
"932050"	286.011163	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-H+Cl"	33.962126
"276074"	1111.089802	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+Cl"	34.969402
"662655"	1649.150002	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+Cl"	34.969402
"1283086"	573.029602	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Cl"	34.969402
"25643"	1113.069006	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M-2H+K"	36.948606
"459735"	1651.129206	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M-2H+K"	36.948606
"838631"	575.008806	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-2H+K"	36.948606
"1566495"	575.008806	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+K-2H"	36.948606
"945630"	583.058394	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-H+HCOOH"	44.998194
"364939"	1121.118601	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+HCOOH-H"	44.998201
"351014"	1135.134251	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+Hac-H"	59.013851
"1496565"	597.074051	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Hac-H"	59.013851
"973593"	605.040351	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-H+NaCOOH"	66.980151
"124687"	573.029602	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+2Cl"	69.938804
"565100"	842.059702	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+2Cl"	69.938804
"1032318"	303.999502	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2Cl"	69.938804
"1255906"	616.979085	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Br"	78.918885
"1311064"	619.035072	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Cl+HCOOH"	80.974872
"1330745"	641.017029	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Cl+NaCOOH"	102.956829
"919618"	651.045786	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M-H+CF3COOH"	112.985586
"1297419"	687.022464	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Cl+CF3COOH"	148.962264
"1378862"	503.047524	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H-2H2O"	-35.012676
"1389796"	521.0575	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H-H2O"	-17.0027
"287295"	1077.127676	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+H"	1.007276
"678622"	1615.187876	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+H"	1.007276
"1358252"	539.067476	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H"	1.007276
"132236"	539.067476	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+2H"	2.014552
"575077"	808.097576	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+2H"	2.014552
"1049343"	270.037376	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2H"	2.014552
"219074"	359.714076	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+3H"	3.021828
"651343"	539.067476	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+3H"	3.021828
"1174936"	180.360676	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+3H"	3.021828
"436018"	1094.154223	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+NH4"	18.033823
"792640"	1632.214423	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+NH4"	18.033823
"1684963"	556.094023	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+NH4"	18.033823
"340533"	547.5807495	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+H+NH4"	19.041099
"730767"	816.6108495	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+H+NH4"	19.041099
"1478757"	278.5506495	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H+NH4"	19.041099
"392852"	1099.109618	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+Na"	22.989218
"754787"	1637.169818	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+Na"	22.989218
"1603004"	561.049418	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Na"	22.989218
"314456"	550.058447	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+H+Na"	23.996494
"707279"	819.088547	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+H+Na"	23.996494
"1461588"	281.028347	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H+Na"	23.996494
"1054351"	187.68799	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2H+Na"	25.00377
"1259191"	571.093686	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+CH3OH+H"	33.033486
"378370"	1115.083558	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+K"	38.963158
"738757"	1653.143758	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+K"	38.963158
"1540242"	577.023358	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+K"	38.963158
"299816"	558.045417	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+H+K"	39.970434
"693696"	827.075517	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+H+K"	39.970434
"1446785"	289.015317	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H+K"	39.970434
"236844"	1118.154226	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+ACN+H"	42.033826
"1215393"	580.094026	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+ACN+H"	42.033826
"1197089"	290.550651	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+ACN+2H"	43.041102
"199803"	1121.09156	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+2Na-H"	44.97116
"630982"	1659.15176	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+2Na-H"	44.97116
"1137403"	583.03136	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2Na-H"	44.97116
"177049"	561.049418	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+2Na"	45.978436
"615148"	830.079518	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+2Na"	45.978436
"1118651"	292.019318	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2Na"	45.978436
"1401084"	195.015304	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H+2Na"	46.985712
"1433931"	585.072946	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H+HCOOH"	47.012746
"226909"	566.08244	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+3H2O+2H"	56.04448
"1517158"	599.12499	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+IsoProp+H"	61.06479
"421221"	569.036388	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+Na+K"	61.952376
"781122"	838.066488	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+Na+K"	61.952376
"1679638"	300.006288	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Na+K"	61.952376
"261785"	1140.136168	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+ACN+Na"	64.015768
"1230117"	602.075968	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+ACN+Na"	64.015768
"1719006"	602.099493	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+NH4+HCOOH"	64.039293
"1186546"	202.342618	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+3Na"	68.967654
"1650118"	607.054888	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Na+HCOOH"	68.994688
"157346"	1153.03944	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+2K-H"	76.91904
"597283"	1691.09964	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+2K-H"	76.91904
"1084454"	614.97924	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2K-H"	76.91904
"142365"	577.023358	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"2M+2K"	77.926316
"581477"	846.053458	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"3M+2K"	77.926316
"1084007"	307.993258	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2K"	77.926316
"1115186"	616.993792	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2K+H"	78.933592
"1350266"	617.081407	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+DMSO+H"	79.021207
"1018066"	621.120576	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2ACN+H"	83.060376
"1534368"	622.114208	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+IsoProp+Na+H"	84.054008
"999721"	311.063926	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+2ACN+2H"	84.067652
"1596412"	623.028828	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+K+HCOOH"	84.968628
"1424259"	653.060338	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+H+CF3COOH"	115.000138
"1155640"	331.577201	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+3ACN+2H"	125.094202
"1709571"	670.086885	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+NH4+CF3COOH"	132.026685
"1648864"	675.04228	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+Na+CF3COOH"	136.98208
"1583055"	691.01622	"C18695"	"Difethialone"	"C31H23BrO2S"	"538.0602"	"M+K+CF3COOH"	152.95602
"803581"	542.1705	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M"	0
"974679"	523.15211	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-H2O-H"	-19.01839
"63893"	360.439724	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M-3H"	-3.021828
"503368"	541.163224	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M-3H"	-3.021828
"890368"	179.716224	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-3H"	-3.021828
"1285"	541.163224	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M-2H"	-2.014552
"440438"	812.248474	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M-2H"	-2.014552
"819384"	270.077974	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-2H"	-2.014552
"91777"	1083.333724	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M-H"	-1.007276
"523680"	1625.504224	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M-H"	-1.007276
"905866"	541.163224	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-H"	-1.007276
"56962"	1100.360271	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M-2H+NH4"	16.019271
"497614"	1642.530771	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M-2H+NH4"	16.019271
"869218"	558.189771	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-2H+NH4"	16.019271
"34931"	1105.315666	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M-2H+Na"	20.974666
"477772"	1647.486166	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M-2H+Na"	20.974666
"858488"	563.145166	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-2H+Na"	20.974666
"1623649"	563.145166	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Na-2H"	20.974666
"106738"	559.151563	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M-H+Cl"	33.962126
"541925"	830.236813	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M-H+Cl"	33.962126
"929244"	288.066313	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-H+Cl"	33.962126
"276184"	1119.310402	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+Cl"	34.969402
"666418"	1661.480902	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+Cl"	34.969402
"1283196"	577.139902	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Cl"	34.969402
"26846"	1121.289606	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M-2H+K"	36.948606
"459845"	1663.460106	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M-2H+K"	36.948606
"835461"	579.119106	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-2H+K"	36.948606
"1556762"	579.119106	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+K-2H"	36.948606
"945739"	587.168694	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-H+HCOOH"	44.998194
"366142"	1129.339201	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+HCOOH-H"	44.998201
"346749"	1143.354851	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+Hac-H"	59.013851
"1495579"	601.184351	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Hac-H"	59.013851
"967504"	609.150651	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-H+NaCOOH"	66.980151
"118598"	577.139902	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+2Cl"	69.938804
"561442"	848.225152	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+2Cl"	69.938804
"1034251"	306.054652	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2Cl"	69.938804
"1253099"	621.089385	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Br"	78.918885
"1315548"	623.145372	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Cl+HCOOH"	80.974872
"1324295"	645.127329	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Cl+NaCOOH"	102.956829
"925196"	655.156086	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M-H+CF3COOH"	112.985586
"1298624"	691.132764	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Cl+CF3COOH"	148.962264
"1378610"	507.157824	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H-2H2O"	-35.012676
"1392093"	525.1678	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H-H2O"	-17.0027
"288499"	1085.348276	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+H"	1.007276
"679826"	1627.518776	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+H"	1.007276
"1358362"	543.177776	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H"	1.007276
"132346"	543.177776	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+2H"	2.014552
"575187"	814.263026	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+2H"	2.014552
"1049453"	272.092526	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2H"	2.014552
"218457"	362.454276	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+3H"	3.021828
"654369"	543.177776	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+3H"	3.021828
"1175045"	181.730776	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+3H"	3.021828
"431753"	1102.374823	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+NH4"	18.033823
"792750"	1644.545323	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+NH4"	18.033823
"1684709"	560.204323	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+NH4"	18.033823
"337363"	551.6910495	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+H+NH4"	19.041099
"727597"	822.7762995	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+H+NH4"	19.041099
"1477772"	280.6057995	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H+NH4"	19.041099
"393536"	1107.330218	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+Na"	22.989218
"754531"	1649.500718	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+Na"	22.989218
"1602994"	565.159718	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Na"	22.989218
"314265"	554.168747	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+H+Na"	23.996494
"707094"	825.253997	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+H+Na"	23.996494
"1462311"	283.083497	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H+Na"	23.996494
"1052836"	189.05809	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2H+Na"	25.00377
"1257043"	575.203986	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+CH3OH+H"	33.033486
"377589"	1123.304158	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+K"	38.963158
"739595"	1665.474658	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+K"	38.963158
"1540553"	581.133658	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+K"	38.963158
"302479"	562.155717	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+H+K"	39.970434
"695993"	833.240967	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+H+K"	39.970434
"1447626"	291.070467	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H+K"	39.970434
"236954"	1126.374826	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+ACN+H"	42.033826
"1215504"	584.204326	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+ACN+H"	42.033826
"1197199"	292.605801	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+ACN+2H"	43.041102
"192257"	1129.31216	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+2Na-H"	44.97116
"634003"	1671.48266	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+2Na-H"	44.97116
"1135324"	587.14166	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2Na-H"	44.97116
"177159"	565.159718	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+2Na"	45.978436
"615624"	836.244968	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+2Na"	45.978436
"1118765"	294.074468	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2Na"	45.978436
"1406298"	196.385404	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H+2Na"	46.985712
"1434040"	589.183246	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H+HCOOH"	47.012746
"227019"	570.19274	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+3H2O+2H"	56.04448
"1516175"	603.23529	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+IsoProp+H"	61.06479
"418050"	573.146688	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+Na+K"	61.952376
"775765"	844.231938	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+Na+K"	61.952376
"1674281"	302.061438	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Na+K"	61.952376
"260800"	1148.356768	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+ACN+Na"	64.015768
"1233143"	606.186268	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+ACN+Na"	64.015768
"1722395"	606.209793	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+NH4+HCOOH"	64.039293
"1183374"	203.712718	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+3Na"	68.967654
"1649888"	611.165188	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Na+HCOOH"	68.994688
"157207"	1161.26004	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+2K-H"	76.91904
"597209"	1703.43054	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+2K-H"	76.91904
"1084355"	619.08954	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2K-H"	76.91904
"142233"	581.133658	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"2M+2K"	77.926316
"581538"	852.218908	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"3M+2K"	77.926316
"1083829"	310.048408	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2K"	77.926316
"1115497"	621.104092	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2K+H"	78.933592
"1351066"	621.191707	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+DMSO+H"	79.021207
"1018906"	625.230876	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2ACN+H"	83.060376
"1534478"	626.224508	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+IsoProp+Na+H"	84.054008
"999831"	313.119076	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+2ACN+2H"	84.067652
"1596522"	627.139128	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+K+HCOOH"	84.968628
"1424369"	657.170638	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+H+CF3COOH"	115.000138
"1155750"	333.632351	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+3ACN+2H"	125.094202
"1711867"	674.197185	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+NH4+CF3COOH"	132.026685
"1647515"	679.15258	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+Na+CF3COOH"	136.98208
"1583165"	695.12652	"C18696"	"Flocoumafen"	"C33H25F3O4"	"542.1705"	"M+K+CF3COOH"	152.95602
"810252"	574.7939	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M"	0
"980504"	555.77551	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-H2O-H"	-19.01839
"67652"	382.188657333333	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M-3H"	-3.021828
"509398"	573.786624	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M-3H"	-3.021828
"887198"	190.590690666667	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-3H"	-3.021828
"2495"	573.786624	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M-2H"	-2.014552
"444242"	861.183574	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M-2H"	-2.014552
"823141"	286.389674	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-2H"	-2.014552
"88607"	1148.580524	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M-H"	-1.007276
"524155"	1723.374424	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M-H"	-1.007276
"909987"	573.786624	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-H"	-1.007276
"60961"	1165.607071	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M-2H+NH4"	16.019271
"502101"	1740.400971	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M-2H+NH4"	16.019271
"877229"	590.813171	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-2H+NH4"	16.019271
"44158"	1170.562466	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M-2H+Na"	20.974666
"483352"	1745.356366	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M-2H+Na"	20.974666
"860060"	595.768566	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-2H+Na"	20.974666
"1630324"	595.768566	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Na-2H"	20.974666
"105393"	591.774963	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M-H+Cl"	33.962126
"542036"	879.171913	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M-H+Cl"	33.962126
"940290"	304.378013	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-H+Cl"	33.962126
"281156"	1184.557202	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+Cl"	34.969402
"668714"	1759.351102	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+Cl"	34.969402
"1285133"	609.763302	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Cl"	34.969402
"28051"	1186.536406	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M-2H+K"	36.948606
"466517"	1761.330306	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M-2H+K"	36.948606
"845415"	611.742506	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-2H+K"	36.948606
"1565620"	611.742506	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+K-2H"	36.948606
"951318"	619.792094	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-H+HCOOH"	44.998194
"368440"	1194.586001	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+HCOOH-H"	44.998201
"353419"	1208.601651	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+Hac-H"	59.013851
"1501156"	633.807751	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Hac-H"	59.013851
"969801"	641.774051	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-H+NaCOOH"	66.980151
"120895"	609.763302	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+2Cl"	69.938804
"562645"	897.160252	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+2Cl"	69.938804
"1035454"	322.366352	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2Cl"	69.938804
"1252116"	653.712785	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Br"	78.918885
"1314565"	655.768772	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Cl+HCOOH"	80.974872
"1322218"	677.750729	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Cl+NaCOOH"	102.956829
"922025"	687.779486	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M-H+CF3COOH"	112.985586
"1302014"	723.756164	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Cl+CF3COOH"	148.962264
"1382000"	539.781224	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H-2H2O"	-35.012676
"1390016"	557.7912	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H-H2O"	-17.0027
"289702"	1150.595076	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+H"	1.007276
"679206"	1725.388976	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+H"	1.007276
"1355192"	575.801176	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H"	1.007276
"132456"	575.801176	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+2H"	2.014552
"577484"	863.198126	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+2H"	2.014552
"1047376"	288.404226	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2H"	2.014552
"217959"	384.203209333333	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+3H"	3.021828
"654843"	575.801176	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+3H"	3.021828
"1176373"	192.605242666667	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+3H"	3.021828
"436237"	1167.621623	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+NH4"	18.033823
"795047"	1742.415523	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+NH4"	18.033823
"1687005"	592.827723	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+NH4"	18.033823
"334194"	584.3144495	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+H+NH4"	19.041099
"730988"	871.7113995	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+H+NH4"	19.041099
"1479706"	296.9174995	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H+NH4"	19.041099
"394742"	1172.577018	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+Na"	22.989218
"759016"	1747.370918	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+Na"	22.989218
"1603105"	597.783118	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Na"	22.989218
"315207"	586.792147	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+H+Na"	23.996494
"707749"	874.189097	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+H+Na"	23.996494
"1463634"	299.395197	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H+Na"	23.996494
"1053517"	199.932556666667	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2H+Na"	25.00377
"1257830"	607.827386	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+CH3OH+H"	33.033486
"378470"	1188.550958	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+K"	38.963158
"740072"	1763.344858	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+K"	38.963158
"1542121"	613.757058	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+K"	38.963158
"300147"	594.779117	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+H+K"	39.970434
"697197"	882.176067	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+H+K"	39.970434
"1447736"	307.382167	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H+K"	39.970434
"237431"	1191.621626	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+ACN+H"	42.033826
"1215614"	616.827726	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+ACN+H"	42.033826
"1196580"	308.917501	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+ACN+2H"	43.041102
"195649"	1194.55896	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+2Na-H"	44.97116
"633022"	1769.35286	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+2Na-H"	44.97116
"1133612"	619.76506	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2Na-H"	44.97116
"180917"	597.783118	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+2Na"	45.978436
"620476"	885.180068	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+2Na"	45.978436
"1121795"	310.386168	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2Na"	45.978436
"1405317"	207.259870666667	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H+2Na"	46.985712
"1435610"	621.806646	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H+HCOOH"	47.012746
"224214"	602.81614	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+3H2O+2H"	56.04448
"1516285"	635.85869	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+IsoProp+H"	61.06479
"415972"	605.770088	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+Na+K"	61.952376
"782435"	893.167038	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+Na+K"	61.952376
"1674392"	318.373138	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Na+K"	61.952376
"263098"	1213.603568	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+ACN+Na"	64.015768
"1234713"	638.809668	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+ACN+Na"	64.015768
"1721412"	638.833193	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+NH4+HCOOH"	64.039293
"1183849"	214.587184666667	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+3Na"	68.967654
"1650827"	643.788588	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Na+HCOOH"	68.994688
"158055"	1226.50684	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+2K-H"	76.91904
"597777"	1801.30074	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+2K-H"	76.91904
"1085772"	651.71294	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2K-H"	76.91904
"142586"	613.757058	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"2M+2K"	77.926316
"583971"	901.154008	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"3M+2K"	77.926316
"1082231"	326.360108	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2K"	77.926316
"1113737"	653.727492	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2K+H"	78.933592
"1350125"	653.815107	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+DMSO+H"	79.021207
"1020717"	657.854276	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2ACN+H"	83.060376
"1538841"	658.847908	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+IsoProp+Na+H"	84.054008
"1003100"	329.430776	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+2ACN+2H"	84.067652
"1597725"	659.762528	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+K+HCOOH"	84.968628
"1424479"	689.794038	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+H+CF3COOH"	115.000138
"1156953"	349.944051	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+3ACN+2H"	125.094202
"1706506"	706.820585	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+NH4+CF3COOH"	132.026685
"1644345"	711.77598	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+Na+CF3COOH"	136.98208
"1577808"	727.74992	"C18697"	"Bromethalin"	"C14H7Br3F3N3O4"	"574.7939"	"M+K+CF3COOH"	152.95602
"803801"	340.1099	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M"	0
"975022"	321.09151	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-H2O-H"	-19.01839
"64480"	225.732657333333	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M-3H"	-3.021828
"504040"	339.102624	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M-3H"	-3.021828
"885122"	112.362690666667	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-3H"	-3.021828
"523"	339.102624	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M-2H"	-2.014552
"440584"	509.157574	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M-2H"	-2.014552
"822158"	169.047674	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-2H"	-2.014552
"88717"	679.212524	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M-H"	-1.007276
"524994"	1019.322424	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M-H"	-1.007276
"909980"	339.102624	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-H"	-1.007276
"58276"	696.239071	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M-2H+NH4"	16.019271
"501605"	1036.348971	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M-2H+NH4"	16.019271
"878920"	356.129171	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-2H+NH4"	16.019271
"44997"	701.194466	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M-2H+Na"	20.974666
"485284"	1041.304366	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M-2H+Na"	20.974666
"859442"	361.084566	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-2H+Na"	20.974666
"1631528"	361.084566	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Na-2H"	20.974666
"104775"	357.090963	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M-H+Cl"	33.962126
"544333"	527.145913	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M-H+Cl"	33.962126
"941128"	187.036013	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-H+Cl"	33.962126
"281750"	715.189202	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+Cl"	34.969402
"668824"	1055.299102	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+Cl"	34.969402
"1286336"	375.079302	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Cl"	34.969402
"24879"	717.168406	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M-2H+K"	36.948606
"464439"	1057.278306	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M-2H+K"	36.948606
"845525"	377.058506	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-2H+K"	36.948606
"1562449"	377.058506	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+K-2H"	36.948606
"955805"	385.108094	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-H+HCOOH"	44.998194
"370738"	725.218001	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+HCOOH-H"	44.998201
"350248"	739.233651	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+Hac-H"	59.013851
"1502359"	399.123751	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Hac-H"	59.013851
"969911"	407.090051	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-H+NaCOOH"	66.980151
"121005"	375.079302	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+2Cl"	69.938804
"565186"	545.134252	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+2Cl"	69.938804
"1036294"	205.024352	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2Cl"	69.938804
"1251133"	419.028785	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Br"	78.918885
"1314675"	421.084772	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Cl+HCOOH"	80.974872
"1327797"	443.066729	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Cl+NaCOOH"	102.956829
"919949"	453.095486	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M-H+CF3COOH"	112.985586
"1300667"	489.072164	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Cl+CF3COOH"	148.962264
"1381746"	305.097224	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H-2H2O"	-35.012676
"1394500"	323.1072	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H-H2O"	-17.0027
"295282"	681.227076	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+H"	1.007276
"684422"	1021.336976	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+H"	1.007276
"1354208"	341.117176	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H"	1.007276
"139857"	341.117176	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+2H"	2.014552
"580511"	511.172126	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+2H"	2.014552
"1049674"	171.062226	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2H"	2.014552
"218191"	227.747209333333	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+3H"	3.021828
"654953"	341.117176	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+3H"	3.021828
"1176967"	114.377242666667	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+3H"	3.021828
"438171"	698.253623	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+NH4"	18.033823
"797345"	1038.363523	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+NH4"	18.033823
"1691491"	358.143723	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+NH4"	18.033823
"334306"	349.6304495	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+H+NH4"	19.041099
"727821"	519.6853995	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+H+NH4"	19.041099
"1481637"	179.5754995	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H+NH4"	19.041099
"394852"	703.209018	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+Na"	22.989218
"757307"	1043.318918	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+Na"	22.989218
"1603093"	363.099118	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Na"	22.989218
"314712"	352.108147	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+H+Na"	23.996494
"710051"	522.163097	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+H+Na"	23.996494
"1462897"	182.053197	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H+Na"	23.996494
"1053142"	121.704556666667	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2H+Na"	25.00377
"1257576"	373.143386	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+CH3OH+H"	33.033486
"378823"	719.182958	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+K"	38.963158
"741274"	1059.292858	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+K"	38.963158
"1542597"	379.073058	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+K"	38.963158
"299772"	360.095117	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+H+K"	39.970434
"697307"	530.150067	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+H+K"	39.970434
"1448940"	190.040167	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H+K"	39.970434
"240093"	722.253626	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+ACN+H"	42.033826
"1210490"	382.143726	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+ACN+H"	42.033826
"1200701"	191.575501	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+ACN+2H"	43.041102
"195759"	725.19096	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+2Na-H"	44.97116
"633132"	1065.30086	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+2Na-H"	44.97116
"1133358"	385.08106	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2Na-H"	44.97116
"178838"	363.099118	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+2Na"	45.978436
"614019"	533.154068	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+2Na"	45.978436
"1117888"	193.044168	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2Na"	45.978436
"1402144"	129.031870666667	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H+2Na"	46.985712
"1432434"	387.122646	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H+HCOOH"	47.012746
"226147"	368.13214	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+3H2O+2H"	56.04448
"1515302"	401.17469	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+IsoProp+H"	61.06479
"414989"	371.086088	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+Na+K"	61.952376
"779265"	541.141038	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+Na+K"	61.952376
"1671221"	201.031138	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Na+K"	61.952376
"262114"	744.235568	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+ACN+Na"	64.015768
"1234823"	404.125668	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+ACN+Na"	64.015768
"1721520"	404.149193	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+NH4+HCOOH"	64.039293
"1183959"	136.359184666667	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+3Na"	68.967654
"1650083"	409.104588	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Na+HCOOH"	68.994688
"157801"	757.13884	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+2K-H"	76.91904
"597727"	1097.24874	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+2K-H"	76.91904
"1085517"	417.02894	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2K-H"	76.91904
"144522"	379.073058	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"2M+2K"	77.926316
"586267"	549.128008	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"3M+2K"	77.926316
"1083072"	209.018108	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2K"	77.926316
"1110567"	419.043492	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2K+H"	78.933592
"1350480"	419.131107	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+DMSO+H"	79.021207
"1021156"	423.170276	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2ACN+H"	83.060376
"1537979"	424.163908	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+IsoProp+Na+H"	84.054008
"1003331"	212.088776	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+2ACN+2H"	84.067652
"1596742"	425.078528	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+K+HCOOH"	84.968628
"1424589"	455.110038	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+H+CF3COOH"	115.000138
"1153783"	232.602051	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+3ACN+2H"	125.094202
"1704429"	472.136585	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+NH4+CF3COOH"	132.026685
"1644455"	477.09198	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+Na+CF3COOH"	136.98208
"1577918"	493.06592	"C18698"	"Diphenadione"	"C23H16O3"	"340.1099"	"M+K+CF3COOH"	152.95602
"803911"	323.2097	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M"	0
"977442"	304.19131	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-H2O-H"	-19.01839
"66778"	214.465857333333	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M-3H"	-3.021828
"507432"	322.202424	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M-3H"	-3.021828
"886326"	106.729290666667	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-3H"	-3.021828
"596"	322.202424	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M-2H"	-2.014552
"441912"	483.807274	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M-2H"	-2.014552
"818988"	160.597574	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-2H"	-2.014552
"86641"	645.412124	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M-H"	-1.007276
"529482"	968.621824	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M-H"	-1.007276
"908263"	322.202424	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-H"	-1.007276
"58386"	662.438671	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M-2H+NH4"	16.019271
"502324"	985.648371	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M-2H+NH4"	16.019271
"878665"	339.228971	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-2H+NH4"	16.019271
"45471"	667.394066	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M-2H+Na"	20.974666
"484303"	990.603766	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M-2H+Na"	20.974666
"862468"	344.184366	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-2H+Na"	20.974666
"1631882"	344.184366	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Na-2H"	20.974666
"104885"	340.190763	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M-H+Cl"	33.962126
"547728"	501.795613	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M-H+Cl"	33.962126
"941973"	178.585913	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-H+Cl"	33.962126
"281254"	681.388802	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+Cl"	34.969402
"674769"	1004.598502	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+Cl"	34.969402
"1287054"	358.179102	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Cl"	34.969402
"28270"	683.368006	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M-2H+K"	36.948606
"463456"	1006.577706	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M-2H+K"	36.948606
"846363"	360.158306	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-2H+K"	36.948606
"1570217"	360.158306	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+K-2H"	36.948606
"957007"	368.207894	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-H+HCOOH"	44.998194
"375222"	691.417601	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+HCOOH-H"	44.998201
"353640"	705.433251	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+Hac-H"	59.013851
"1502469"	382.223551	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Hac-H"	59.013851
"972208"	390.189851	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-H+NaCOOH"	66.980151
"122937"	358.179102	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+2Cl"	69.938804
"564693"	519.783952	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+2Cl"	69.938804
"1036769"	196.574252	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2Cl"	69.938804
"1254523"	402.128585	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Br"	78.918885
"1316607"	404.184572	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Cl+HCOOH"	80.974872
"1331187"	426.166529	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Cl+NaCOOH"	102.956829
"922974"	436.195286	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M-H+CF3COOH"	112.985586
"1303087"	472.171964	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Cl+CF3COOH"	148.962264
"1382716"	288.197024	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H-2H2O"	-35.012676
"1397976"	306.207	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H-H2O"	-17.0027
"295757"	647.426676	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+H"	1.007276
"690364"	970.636376	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+H"	1.007276
"1364888"	324.216976	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H"	1.007276
"138144"	324.216976	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+2H"	2.014552
"580257"	485.821826	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+2H"	2.014552
"1049784"	162.612126	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2H"	2.014552
"218545"	216.480409333333	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+3H"	3.021828
"657250"	324.216976	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+3H"	3.021828
"1177078"	108.743842666667	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+3H"	3.021828
"437553"	664.453223	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+NH4"	18.033823
"798548"	987.662923	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+NH4"	18.033823
"1690508"	341.243523	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+NH4"	18.033823
"334416"	332.7302495	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+H+NH4"	19.041099
"729024"	494.3350995	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+H+NH4"	19.041099
"1483934"	171.1253995	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H+NH4"	19.041099
"396055"	669.408618	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+Na"	22.989218
"759240"	992.618318	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+Na"	22.989218
"1604421"	346.198918	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Na"	22.989218
"315914"	335.207947	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+H+Na"	23.996494
"710890"	496.812797	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+H+Na"	23.996494
"1461465"	173.603097	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H+Na"	23.996494
"1053578"	116.071156666667	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2H+Na"	25.00377
"1258171"	356.243186	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+CH3OH+H"	33.033486
"379661"	685.382558	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+K"	38.963158
"741021"	1008.592258	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+K"	38.963158
"1541737"	362.172858	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+K"	38.963158
"299883"	343.194917	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+H+K"	39.970434
"698511"	504.799767	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+H+K"	39.970434
"1450143"	181.590067	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H+K"	39.970434
"237651"	688.453226	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+ACN+H"	42.033826
"1211209"	365.243526	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+ACN+H"	42.033826
"1198623"	183.125401	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+ACN+2H"	43.041102
"193681"	691.39056	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+2Na-H"	44.97116
"633242"	1014.60026	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+2Na-H"	44.97116
"1138935"	368.18086	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2Na-H"	44.97116
"183320"	346.198918	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+2Na"	45.978436
"615953"	507.803768	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+2Na"	45.978436
"1119092"	184.594068	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2Na"	45.978436
"1402618"	123.398470666667	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H+2Na"	46.985712
"1436558"	370.222446	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H+HCOOH"	47.012746
"223339"	351.23194	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+3H2O+2H"	56.04448
"1514318"	384.27449	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+IsoProp+H"	61.06479
"411818"	354.185888	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+Na+K"	61.952376
"781562"	515.790738	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+Na+K"	61.952376
"1671331"	192.581038	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Na+K"	61.952376
"263318"	710.435168	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+ACN+Na"	64.015768
"1236027"	387.225468	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+ACN+Na"	64.015768
"1719078"	387.248993	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+NH4+HCOOH"	64.039293
"1184800"	130.725784666667	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+3Na"	68.967654
"1655788"	392.204388	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Na+HCOOH"	68.994688
"158277"	723.33844	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+2K-H"	76.91904
"599049"	1046.54814	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+2K-H"	76.91904
"1085385"	400.12874	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2K-H"	76.91904
"142806"	362.172858	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"2M+2K"	77.926316
"582610"	523.777708	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"3M+2K"	77.926316
"1082816"	200.568008	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2K"	77.926316
"1114566"	402.143292	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2K+H"	78.933592
"1349859"	402.230907	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+DMSO+H"	79.021207
"1021184"	406.270076	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2ACN+H"	83.060376
"1539783"	407.263708	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+IsoProp+Na+H"	84.054008
"1003443"	203.638676	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+2ACN+2H"	84.067652
"1597945"	408.178328	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+K+HCOOH"	84.968628
"1429771"	438.209838	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+H+CF3COOH"	115.000138
"1162039"	224.151951	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+3ACN+2H"	125.094202
"1711589"	455.236385	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+NH4+CF3COOH"	132.026685
"1644565"	460.19178	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+Na+CF3COOH"	136.98208
"1576935"	476.16572	"C18699"	"(-)-Jasmonoyl-L-isoleucine;(-)-JA-L-Ile"	"C18H29NO4"	"323.2097"	"M+K+CF3COOH"	152.95602
"807302"	227.1205	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M"	0
"976460"	208.10211	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-H2O-H"	-19.01839
"66888"	150.406390666667	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M-3H"	-3.021828
"509728"	226.113224	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M-3H"	-3.021828
"886437"	74.6995573333333	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-3H"	-3.021828
"144"	226.113224	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M-2H"	-2.014552
"442022"	339.673474	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M-2H"	-2.014552
"819459"	112.552974	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-2H"	-2.014552
"88938"	453.233724	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M-H"	-1.007276
"526311"	680.354224	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M-H"	-1.007276
"911131"	226.113224	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-H"	-1.007276
"58496"	470.260271	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M-2H+NH4"	16.019271
"502815"	697.380771	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M-2H+NH4"	16.019271
"877804"	243.139771	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-2H+NH4"	16.019271
"45340"	475.215666	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M-2H+Na"	20.974666
"486846"	702.336166	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M-2H+Na"	20.974666
"863429"	248.095166	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-2H+Na"	20.974666
"1634051"	248.095166	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Na-2H"	20.974666
"107182"	244.101563	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M-H+Cl"	33.962126
"549910"	357.661813	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M-H+Cl"	33.962126
"942677"	130.541313	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-H+Cl"	33.962126
"282624"	489.210402	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+Cl"	34.969402
"675123"	716.330902	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+Cl"	34.969402
"1286802"	262.089902	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Cl"	34.969402
"30654"	491.189606	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M-2H+K"	36.948606
"470980"	718.310106	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M-2H+K"	36.948606
"847567"	264.069106	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-2H+K"	36.948606
"1570329"	264.069106	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+K-2H"	36.948606
"957118"	272.118694	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-H+HCOOH"	44.998194
"376878"	499.239201	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+HCOOH-H"	44.998201
"360760"	513.254851	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+Hac-H"	59.013851
"1503675"	286.134351	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Hac-H"	59.013851
"973779"	294.100651	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-H+NaCOOH"	66.980151
"124150"	262.089902	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+2Cl"	69.938804
"564319"	375.650152	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+2Cl"	69.938804
"1035061"	148.529652	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2Cl"	69.938804
"1254640"	306.039385	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Br"	78.918885
"1316717"	308.095372	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Cl+HCOOH"	80.974872
"1332390"	330.077329	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Cl+NaCOOH"	102.956829
"920168"	340.106086	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M-H+CF3COOH"	112.985586
"1302712"	376.082764	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Cl+CF3COOH"	148.962264
"1380870"	192.107824	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H-2H2O"	-35.012676
"1396548"	210.1178	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H-H2O"	-17.0027
"295868"	455.248276	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+H"	1.007276
"686828"	682.368776	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+H"	1.007276
"1359897"	228.127776	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H"	1.007276
"134974"	228.127776	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+2H"	2.014552
"572344"	341.688026	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+2H"	2.014552
"1043695"	114.567526	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2H"	2.014552
"218894"	152.420942666667	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+3H"	3.021828
"658089"	228.127776	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+3H"	3.021828
"1177756"	76.7141093333333	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+3H"	3.021828
"435477"	472.274823	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+NH4"	18.033823
"800361"	699.395323	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+NH4"	18.033823
"1693898"	245.154323	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+NH4"	18.033823
"341086"	236.6410495	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+H+NH4"	19.041099
"729134"	350.2012995	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+H+NH4"	19.041099
"1486231"	123.0807995	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H+NH4"	19.041099
"394097"	477.230218	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+Na"	22.989218
"758257"	704.350718	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+Na"	22.989218
"1604289"	250.109718	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Na"	22.989218
"315295"	239.118747	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+H+Na"	23.996494
"712094"	352.678997	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+H+Na"	23.996494
"1461775"	125.558497	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H+Na"	23.996494
"1053566"	84.0414233333333	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2H+Na"	25.00377
"1257675"	260.153986	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+CH3OH+H"	33.033486
"378313"	493.204158	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+K"	38.963158
"741495"	720.324658	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+K"	38.963158
"1541480"	266.083658	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+K"	38.963158
"299993"	247.105717	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+H+K"	39.970434
"694612"	360.665967	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+H+K"	39.970434
"1447700"	133.545467	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H+K"	39.970434
"237396"	496.274826	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+ACN+H"	42.033826
"1211199"	269.154326	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+ACN+H"	42.033826
"1202013"	135.080801	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+ACN+2H"	43.041102
"193791"	499.21216	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+2Na-H"	44.97116
"633352"	726.33266	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+2Na-H"	44.97116
"1139045"	272.09166	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2Na-H"	44.97116
"183430"	250.109718	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+2Na"	45.978436
"618251"	363.669968	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+2Na"	45.978436
"1123214"	136.549468	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2Na"	45.978436
"1405644"	91.3687373333333	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H+2Na"	46.985712
"1434845"	274.133246	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H+HCOOH"	47.012746
"225272"	255.14274	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+3H2O+2H"	56.04448
"1513334"	288.18529	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+IsoProp+H"	61.06479
"411563"	258.096688	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+Na+K"	61.952376
"777297"	371.656938	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+Na+K"	61.952376
"1669982"	144.536438	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Na+K"	61.952376
"261241"	518.256768	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+ACN+Na"	64.015768
"1236137"	291.136268	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+ACN+Na"	64.015768
"1718095"	291.159793	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+NH4+HCOOH"	64.039293
"1184910"	98.6960513333333	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+3Na"	68.967654
"1654805"	296.115188	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Na+HCOOH"	68.994688
"159235"	531.16004	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+2K-H"	76.91904
"598675"	758.28054	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+2K-H"	76.91904
"1086103"	304.03954	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2K-H"	76.91904
"143651"	266.083658	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"2M+2K"	77.926316
"584302"	379.643908	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"3M+2K"	77.926316
"1083172"	152.523408	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2K"	77.926316
"1115409"	306.054092	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2K+H"	78.933592
"1350213"	306.141707	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+DMSO+H"	79.021207
"1018982"	310.180876	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2ACN+H"	83.060376
"1539666"	311.174508	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+IsoProp+Na+H"	84.054008
"1004772"	155.594076	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+2ACN+2H"	84.067652
"1598055"	312.089128	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+K+HCOOH"	84.968628
"1429640"	342.120638	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+H+CF3COOH"	115.000138
"1162393"	176.107351	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+3ACN+2H"	125.094202
"1711943"	359.147185	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+NH4+CF3COOH"	132.026685
"1644675"	364.10258	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+Na+CF3COOH"	136.98208
"1580325"	380.07652	"C18700"	"Ametryn"	"C9H17N5S"	"227.1205"	"M+K+CF3COOH"	152.95602
"804132"	299.0228	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M"	0
"974276"	280.00441	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-H2O-H"	-19.01839
"62924"	198.341257333333	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M-3H"	-3.021828
"508744"	298.015524	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M-3H"	-3.021828
"881441"	98.6669906666667	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-3H"	-3.021828
"23"	298.015524	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M-2H"	-2.014552
"440795"	447.526924	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M-2H"	-2.014552
"819207"	148.504124	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-2H"	-2.014552
"86860"	597.038324	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M-H"	-1.007276
"524232"	896.061124	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M-H"	-1.007276
"911203"	298.015524	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-H"	-1.007276
"60551"	614.064871	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M-2H+NH4"	16.019271
"502380"	913.087671	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M-2H+NH4"	16.019271
"875967"	315.042071	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-2H+NH4"	16.019271
"43503"	619.020266	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M-2H+Na"	20.974666
"486802"	918.043066	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M-2H+Na"	20.974666
"864088"	319.997466	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-2H+Na"	20.974666
"1634015"	319.997466	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Na-2H"	20.974666
"109973"	316.003863	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M-H+Cl"	33.962126
"549742"	465.515263	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M-H+Cl"	33.962126
"942686"	166.492463	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-H+Cl"	33.962126
"281108"	633.015002	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+Cl"	34.969402
"675519"	932.037802	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+Cl"	34.969402
"1286303"	333.992202	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Cl"	34.969402
"29587"	634.994206	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M-2H+K"	36.948606
"468050"	934.017006	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M-2H+K"	36.948606
"846948"	335.971406	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-2H+K"	36.948606
"1569709"	335.971406	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+K-2H"	36.948606
"956867"	344.020994	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-H+HCOOH"	44.998194
"374717"	643.043801	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+HCOOH-H"	44.998201
"360423"	657.059451	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+Hac-H"	59.013851
"1504878"	358.036651	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Hac-H"	59.013851
"973770"	366.002951	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-H+NaCOOH"	66.980151
"125515"	333.992202	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+2Cl"	69.938804
"564308"	483.503602	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+2Cl"	69.938804
"1036515"	184.480802	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2Cl"	69.938804
"1256736"	377.941685	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Br"	78.918885
"1319383"	379.997672	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Cl+HCOOH"	80.974872
"1334933"	401.979629	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Cl+NaCOOH"	102.956829
"923562"	412.008386	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M-H+CF3COOH"	112.985586
"1303188"	447.985064	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Cl+CF3COOH"	148.962264
"1382038"	264.010124	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H-2H2O"	-35.012676
"1398117"	282.0201	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H-H2O"	-17.0027
"296341"	599.052876	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+H"	1.007276
"682565"	898.075676	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+H"	1.007276
"1360007"	300.030076	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H"	1.007276
"131803"	300.030076	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+2H"	2.014552
"568446"	449.541476	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+2H"	2.014552
"1042348"	150.518676	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2H"	2.014552
"218643"	200.355809333333	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+3H"	3.021828
"655283"	300.030076	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+3H"	3.021828
"1176325"	100.681542666667	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+3H"	3.021828
"434494"	616.079423	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+NH4"	18.033823
"797675"	915.102223	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+NH4"	18.033823
"1691821"	317.056623	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+NH4"	18.033823
"340103"	308.5433495	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+H+NH4"	19.041099
"731431"	458.0547495	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+H+NH4"	19.041099
"1480510"	159.0319495	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H+NH4"	19.041099
"397371"	621.034818	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+Na"	22.989218
"758369"	920.057618	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+Na"	22.989218
"1603546"	322.012018	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Na"	22.989218
"314916"	311.021047	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+H+Na"	23.996494
"708190"	460.532447	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+H+Na"	23.996494
"1461397"	161.509647	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H+Na"	23.996494
"1053921"	108.008856666667	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2H+Na"	25.00377
"1257296"	332.056286	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+CH3OH+H"	33.033486
"377327"	637.008758	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+K"	38.963158
"739780"	936.031558	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+K"	38.963158
"1540253"	337.985958	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+K"	38.963158
"299129"	319.008017	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+H+K"	39.970434
"691502"	468.519417	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+H+K"	39.970434
"1445860"	169.496617	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H+K"	39.970434
"235920"	640.079426	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+ACN+H"	42.033826
"1210034"	341.056626	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+ACN+H"	42.033826
"1202123"	171.031951	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+ACN+2H"	43.041102
"193901"	643.01676	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+2Na-H"	44.97116
"632731"	942.03956	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+2Na-H"	44.97116
"1139155"	343.99396	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2Na-H"	44.97116
"182448"	322.012018	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+2Na"	45.978436
"624195"	471.523418	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+2Na"	45.978436
"1120044"	172.500618	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2Na"	45.978436
"1404664"	115.336170666667	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H+2Na"	46.985712
"1435686"	346.035546	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H+HCOOH"	47.012746
"225381"	327.04504	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+3H2O+2H"	56.04448
"1516722"	360.08759	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+IsoProp+H"	61.06479
"414224"	329.998988	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+Na+K"	61.952376
"776314"	479.510388	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+Na+K"	61.952376
"1674832"	180.487588	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Na+K"	61.952376
"260257"	662.061368	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+ACN+Na"	64.015768
"1231872"	363.038568	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+ACN+Na"	64.015768
"1718570"	363.062093	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+NH4+HCOOH"	64.039293
"1185020"	122.663484666667	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+3Na"	68.967654
"1656008"	368.017488	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Na+HCOOH"	68.994688
"158860"	674.96464	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+2K-H"	76.91904
"600245"	973.98744	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+2K-H"	76.91904
"1085971"	375.94184	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2K-H"	76.91904
"144854"	337.985958	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"2M+2K"	77.926316
"584412"	487.497358	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"3M+2K"	77.926316
"1083774"	188.474558	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2K"	77.926316
"1115366"	377.956392	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2K+H"	78.933592
"1351058"	378.044007	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+DMSO+H"	79.021207
"1021172"	382.083176	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2ACN+H"	83.060376
"1539658"	383.076808	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+IsoProp+Na+H"	84.054008
"1005124"	191.545226	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+2ACN+2H"	84.067652
"1598165"	383.991428	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+K+HCOOH"	84.968628
"1429668"	414.022938	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+H+CF3COOH"	115.000138
"1162503"	212.058501	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+3ACN+2H"	125.094202
"1711689"	431.049485	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+NH4+CF3COOH"	132.026685
"1645878"	436.00488	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+Na+CF3COOH"	136.98208
"1580435"	451.97882	"C18701"	"Azaconazole"	"C12H11Cl2N3O2"	"299.0228"	"M+K+CF3COOH"	152.95602
"807522"	323.9737	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M"	0
"975587"	304.95531	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-H2O-H"	-19.01839
"64191"	214.975190666667	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M-3H"	-3.021828
"505573"	322.966424	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M-3H"	-3.021828
"883739"	106.983957333333	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-3H"	-3.021828
"243"	322.966424	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M-2H"	-2.014552
"443333"	484.953274	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M-2H"	-2.014552
"820044"	160.979574	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-2H"	-2.014552
"86970"	646.940124	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M-H"	-1.007276
"523247"	970.913824	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M-H"	-1.007276
"909565"	322.966424	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-H"	-1.007276
"57622"	663.966671	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M-2H+NH4"	16.019271
"496088"	987.940371	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M-2H+NH4"	16.019271
"867330"	339.992971	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-2H+NH4"	16.019271
"40697"	668.922066	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M-2H+Na"	20.974666
"483538"	992.895766	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M-2H+Na"	20.974666
"860975"	344.948366	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-2H+Na"	20.974666
"1629416"	344.948366	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Na-2H"	20.974666
"108495"	340.954763	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M-H+Cl"	33.962126
"549437"	502.941613	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M-H+Cl"	33.962126
"939382"	178.967913	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-H+Cl"	33.962126
"272470"	682.916802	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+Cl"	34.969402
"668171"	1006.890502	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+Cl"	34.969402
"1284951"	358.943102	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Cl"	34.969402
"29696"	684.896006	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M-2H+K"	36.948606
"462693"	1008.869706	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M-2H+K"	36.948606
"847787"	360.922306	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-2H+K"	36.948606
"1568360"	360.922306	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+K-2H"	36.948606
"956612"	368.971894	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-H+HCOOH"	44.998194
"375194"	692.945601	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+HCOOH-H"	44.998201
"359436"	706.961251	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+Hac-H"	59.013851
"1503895"	382.987551	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Hac-H"	59.013851
"974042"	390.953851	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-H+NaCOOH"	66.980151
"124607"	358.943102	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+2Cl"	69.938804
"565024"	520.929952	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+2Cl"	69.938804
"1036832"	196.956252	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2Cl"	69.938804
"1255219"	402.892585	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Br"	78.918885
"1319372"	404.948572	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Cl+HCOOH"	80.974872
"1332612"	426.930529	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Cl+NaCOOH"	102.956829
"924036"	436.959286	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M-H+CF3COOH"	112.985586
"1302934"	472.935964	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Cl+CF3COOH"	148.962264
"1381338"	288.961024	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H-2H2O"	-35.012676
"1396767"	306.971	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H-H2O"	-17.0027
"296086"	648.954676	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+H"	1.007276
"682675"	972.928376	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+H"	1.007276
"1360117"	324.980976	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H"	1.007276
"130819"	324.980976	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+2H"	2.014552
"572565"	486.967826	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+2H"	2.014552
"1041365"	162.994126	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2H"	2.014552
"219119"	216.989742666667	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+3H"	3.021828
"652113"	324.980976	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+3H"	3.021828
"1171332"	108.998509333333	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+3H"	3.021828
"428044"	665.981223	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+NH4"	18.033823
"795598"	989.954923	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+NH4"	18.033823
"1685371"	342.007523	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+NH4"	18.033823
"338025"	333.4942495	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+H+NH4"	19.041099
"731540"	495.4810995	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+H+NH4"	19.041099
"1478434"	171.5073995	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H+NH4"	19.041099
"396388"	670.936618	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+Na"	22.989218
"761759"	994.910318	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+Na"	22.989218
"1603171"	346.962918	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Na"	22.989218
"314343"	335.971947	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+H+Na"	23.996494
"707327"	497.958797	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+H+Na"	23.996494
"1462361"	173.985097	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H+Na"	23.996494
"1053012"	116.325823333333	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2H+Na"	25.00377
"1257127"	357.007186	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+CH3OH+H"	33.033486
"377520"	686.910558	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+K"	38.963158
"738566"	1010.884258	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+K"	38.963158
"1540076"	362.936858	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+K"	38.963158
"298909"	343.958917	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+H+K"	39.970434
"691448"	505.945767	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+H+K"	39.970434
"1445968"	181.972067	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H+K"	39.970434
"235986"	689.981226	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+ACN+H"	42.033826
"1211538"	366.007526	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+ACN+H"	42.033826
"1197493"	183.507401	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+ACN+2H"	43.041102
"190729"	692.91856	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+2Na-H"	44.97116
"629073"	1016.89226	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+2Na-H"	44.97116
"1134160"	368.94486	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2Na-H"	44.97116
"180371"	346.962918	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+2Na"	45.978436
"615192"	508.949768	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+2Na"	45.978436
"1117965"	184.976068	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2Na"	45.978436
"1399665"	123.653137333333	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H+2Na"	46.985712
"1431779"	370.986446	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H+HCOOH"	47.012746
"221108"	351.99594	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+3H2O+2H"	56.04448
"1509538"	385.03849	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+IsoProp+H"	61.06479
"411054"	354.949888	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+Na+K"	61.952376
"775331"	516.936738	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+Na+K"	61.952376
"1672756"	192.963038	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Na+K"	61.952376
"255264"	711.963168	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+ACN+Na"	64.015768
"1228701"	387.989468	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+ACN+Na"	64.015768
"1715035"	388.012993	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+NH4+HCOOH"	64.039293
"1178684"	130.980451333333	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+3Na"	68.967654
"1649885"	392.968388	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Na+HCOOH"	68.994688
"158116"	724.86644	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+2K-H"	76.91904
"597718"	1048.84014	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+2K-H"	76.91904
"1085960"	400.89274	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2K-H"	76.91904
"141553"	362.936858	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"2M+2K"	77.926316
"581673"	524.923708	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"3M+2K"	77.926316
"1081079"	200.950008	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2K"	77.926316
"1115347"	402.907292	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2K+H"	78.933592
"1350798"	402.994907	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+DMSO+H"	79.021207
"1019934"	407.034076	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2ACN+H"	83.060376
"1539782"	408.027708	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+IsoProp+Na+H"	84.054008
"1004867"	204.020676	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+2ACN+2H"	84.067652
"1597182"	408.942328	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+K+HCOOH"	84.968628
"1427223"	438.973838	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+H+CF3COOH"	115.000138
"1162005"	224.533951	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+3ACN+2H"	125.094202
"1712526"	456.000385	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+NH4+CF3COOH"	132.026685
"1645988"	460.95578	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+Na+CF3COOH"	136.98208
"1577265"	476.92972	"C18702"	"Azamethiphos"	"C9H10ClN2O5PS"	"323.9737"	"M+K+CF3COOH"	152.95602
"813100"	397.0605	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M"	0
"978978"	378.04211	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-H2O-H"	-19.01839
"64421"	263.699724	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M-3H"	-3.021828
"510057"	396.053224	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M-3H"	-3.021828
"886765"	131.346224	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-3H"	-3.021828
"837"	396.053224	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M-2H"	-2.014552
"441742"	594.583474	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M-2H"	-2.014552
"819790"	197.522974	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-2H"	-2.014552
"87080"	793.113724	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M-H"	-1.007276
"521899"	1190.174224	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M-H"	-1.007276
"909675"	396.053224	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-H"	-1.007276
"57732"	810.140271	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M-2H+NH4"	16.019271
"495105"	1207.200771	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M-2H+NH4"	16.019271
"867440"	413.079771	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-2H+NH4"	16.019271
"37527"	815.095666	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M-2H+Na"	20.974666
"483284"	1212.156166	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M-2H+Na"	20.974666
"859992"	418.035166	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-2H+Na"	20.974666
"1631712"	418.035166	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Na-2H"	20.974666
"107511"	414.041563	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M-H+Cl"	33.962126
"547071"	612.571813	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M-H+Cl"	33.962126
"935118"	215.511313	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-H+Cl"	33.962126
"272580"	829.090402	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+Cl"	34.969402
"667188"	1226.150902	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+Cl"	34.969402
"1285061"	432.029902	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Cl"	34.969402
"29442"	831.069606	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M-2H+K"	36.948606
"462803"	1228.130106	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M-2H+K"	36.948606
"847045"	434.009106	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-2H+K"	36.948606
"1568470"	434.009106	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+K-2H"	36.948606
"955993"	442.058694	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-H+HCOOH"	44.998194
"376966"	839.119201	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+HCOOH-H"	44.998201
"358454"	853.134851	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+Hac-H"	59.013851
"1504734"	456.074351	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Hac-H"	59.013851
"973864"	464.040651	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-H+NaCOOH"	66.980151
"124114"	432.029902	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+2Cl"	69.938804
"564892"	630.560152	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+2Cl"	69.938804
"1036732"	233.499652	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2Cl"	69.938804
"1256061"	475.979385	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Br"	78.918885
"1319116"	478.035372	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Cl+HCOOH"	80.974872
"1330900"	500.017329	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Cl+NaCOOH"	102.956829
"923782"	510.046086	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M-H+CF3COOH"	112.985586
"1303656"	546.022764	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Cl+CF3COOH"	148.962264
"1381084"	362.047824	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H-2H2O"	-35.012676
"1396513"	380.0578	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H-H2O"	-17.0027
"294010"	795.128276	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+H"	1.007276
"685702"	1192.188776	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+H"	1.007276
"1356947"	398.067776	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H"	1.007276
"130929"	398.067776	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+2H"	2.014552
"577053"	596.598026	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+2H"	2.014552
"1051203"	199.537526	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2H"	2.014552
"218740"	265.714276	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+3H"	3.021828
"652223"	398.067776	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+3H"	3.021828
"1168163"	133.360776	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+3H"	3.021828
"430341"	812.154823	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+NH4"	18.033823
"795708"	1209.215323	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+NH4"	18.033823
"1685481"	415.094323	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+NH4"	18.033823
"338135"	406.5810495	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+H+NH4"	19.041099
"728373"	605.1112995	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+H+NH4"	19.041099
"1477935"	208.0507995	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H+NH4"	19.041099
"399778"	817.110218	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+Na"	22.989218
"761869"	1214.170718	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+Na"	22.989218
"1603282"	420.049718	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Na"	22.989218
"314396"	409.058747	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+H+Na"	23.996494
"707271"	607.588997	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+H+Na"	23.996494
"1461612"	210.528497	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H+Na"	23.996494
"1053080"	140.68809	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2H+Na"	25.00377
"1257634"	430.093986	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+CH3OH+H"	33.033486
"377502"	833.084158	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+K"	38.963158
"739275"	1230.144658	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+K"	38.963158
"1540232"	436.023658	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+K"	38.963158
"298983"	417.045717	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+H+K"	39.970434
"692133"	615.575967	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+H+K"	39.970434
"1445958"	218.515467	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H+K"	39.970434
"236750"	836.154826	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+ACN+H"	42.033826
"1211529"	439.094326	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+ACN+H"	42.033826
"1201250"	220.050801	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+ACN+2H"	43.041102
"193390"	839.09216	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+2Na-H"	44.97116
"629181"	1236.15266	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+2Na-H"	44.97116
"1136093"	442.03166	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2Na-H"	44.97116
"174280"	420.049718	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+2Na"	45.978436
"616758"	618.579968	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+2Na"	45.978436
"1116369"	221.519468	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2Na"	45.978436
"1400867"	148.015404	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H+2Na"	46.985712
"1432253"	444.073246	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H+HCOOH"	47.012746
"221947"	425.08274	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+3H2O+2H"	56.04448
"1510745"	458.12529	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+IsoProp+H"	61.06479
"410793"	428.036688	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+Na+K"	61.952376
"771057"	626.566938	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+Na+K"	61.952376
"1668488"	229.506438	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Na+K"	61.952376
"252939"	858.136768	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+ACN+Na"	64.015768
"1226739"	461.076268	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+ACN+Na"	64.015768
"1713438"	461.099793	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+NH4+HCOOH"	64.039293
"1179149"	155.342718	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+3Na"	68.967654
"1650433"	466.055188	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Na+HCOOH"	68.994688
"158226"	871.04004	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+2K-H"	76.91904
"597464"	1268.10054	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+2K-H"	76.91904
"1084283"	473.97954	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2K-H"	76.91904
"141786"	436.023658	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"2M+2K"	77.926316
"582147"	634.553908	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"3M+2K"	77.926316
"1084071"	237.493408	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2K"	77.926316
"1115498"	475.994092	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2K+H"	78.933592
"1350179"	476.081707	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+DMSO+H"	79.021207
"1021222"	480.120876	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2ACN+H"	83.060376
"1538898"	481.114508	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+IsoProp+Na+H"	84.054008
"1004250"	240.564076	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+2ACN+2H"	84.067652
"1598385"	482.029128	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+K+HCOOH"	84.968628
"1427333"	512.060638	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+H+CF3COOH"	115.000138
"1161992"	261.077351	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+3ACN+2H"	125.094202
"1712272"	529.087185	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+NH4+CF3COOH"	132.026685
"1646098"	534.04258	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+Na+CF3COOH"	136.98208
"1577375"	550.01652	"C18703"	"Bensulide"	"C14H24NO4PS3"	"397.0605"	"M+K+CF3COOH"	152.95602
"805554"	374.9541	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M"	0
"979088"	355.93571	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-H2O-H"	-19.01839
"64773"	248.962124	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M-3H"	-3.021828
"507980"	373.946824	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M-3H"	-3.021828
"887968"	123.977424	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-3H"	-3.021828
"343"	373.946824	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M-2H"	-2.014552
"442826"	561.423874	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M-2H"	-2.014552
"819900"	186.469774	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-2H"	-2.014552
"90469"	748.900924	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M-H"	-1.007276
"524924"	1123.855024	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M-H"	-1.007276
"909420"	373.946824	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-H"	-1.007276
"57842"	765.927471	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M-2H+NH4"	16.019271
"495215"	1140.881571	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M-2H+NH4"	16.019271
"867550"	390.973371	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-2H+NH4"	16.019271
"37637"	770.882866	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M-2H+Na"	20.974666
"484851"	1145.836966	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M-2H+Na"	20.974666
"860466"	395.928766	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-2H+Na"	20.974666
"1631093"	395.928766	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Na-2H"	20.974666
"105434"	391.935163	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M-H+Cl"	33.962126
"547182"	579.412213	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M-H+Cl"	33.962126
"937413"	204.458113	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-H+Cl"	33.962126
"274876"	784.877602	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+Cl"	34.969402
"671671"	1159.831702	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+Cl"	34.969402
"1281886"	409.923502	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Cl"	34.969402
"17885"	786.856806	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M-2H+K"	36.948606
"461819"	1161.810906	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M-2H+K"	36.948606
"837434"	411.902706	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-2H+K"	36.948606
"1570036"	411.902706	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+K-2H"	36.948606
"955371"	419.952294	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-H+HCOOH"	44.998194
"368119"	794.906401	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+HCOOH-H"	44.998201
"353095"	808.922051	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+Hac-H"	59.013851
"1496096"	433.967951	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Hac-H"	59.013851
"971306"	441.934251	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-H+NaCOOH"	66.980151
"123496"	409.923502	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+2Cl"	69.938804
"565248"	597.400552	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+2Cl"	69.938804
"1036950"	222.446452	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2Cl"	69.938804
"1255078"	453.872985	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Br"	78.918885
"1318985"	455.928972	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Cl+HCOOH"	80.974872
"1331010"	477.910929	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Cl+NaCOOH"	102.956829
"922433"	487.939686	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M-H+CF3COOH"	112.985586
"1303564"	523.916364	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Cl+CF3COOH"	148.962264
"1380221"	339.941424	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H-2H2O"	-35.012676
"1395530"	357.9514	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H-H2O"	-17.0027
"295944"	750.915476	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+H"	1.007276
"686176"	1125.869576	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+H"	1.007276
"1354870"	375.961376	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H"	1.007276
"128120"	375.961376	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+2H"	2.014552
"570600"	563.438426	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+2H"	2.014552
"1047054"	188.484326	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2H"	2.014552
"211674"	250.976676	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+3H"	3.021828
"652333"	375.961376	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+3H"	3.021828
"1171553"	125.991976	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+3H"	3.021828
"431544"	767.942023	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+NH4"	18.033823
"795818"	1142.896123	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+NH4"	18.033823
"1688871"	392.987923	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+NH4"	18.033823
"338245"	384.4746495	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+H+NH4"	19.041099
"728483"	571.9516995	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+H+NH4"	19.041099
"1478047"	196.9975995	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H+NH4"	19.041099
"394422"	772.897418	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+Na"	22.989218
"758699"	1147.851518	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+Na"	22.989218
"1603149"	397.943318	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Na"	22.989218
"315121"	386.952347	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+H+Na"	23.996494
"708031"	574.429397	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+H+Na"	23.996494
"1462459"	199.475297	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H+Na"	23.996494
"1053639"	133.31929	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2H+Na"	25.00377
"1257544"	407.987586	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+CH3OH+H"	33.033486
"378390"	788.871358	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+K"	38.963158
"741575"	1163.825458	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+K"	38.963158
"1541074"	413.917258	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+K"	38.963158
"299215"	394.939317	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+H+K"	39.970434
"692122"	582.416367	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+H+K"	39.970434
"1448137"	207.462267	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H+K"	39.970434
"236863"	791.942026	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+ACN+H"	42.033826
"1212368"	416.987926	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+ACN+H"	42.033826
"1199901"	208.997601	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+ACN+2H"	43.041102
"190946"	794.87936	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+2Na-H"	44.97116
"631231"	1169.83346	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+2Na-H"	44.97116
"1133641"	419.92526	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2Na-H"	44.97116
"174391"	397.943318	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+2Na"	45.978436
"614065"	585.420368	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+2Na"	45.978436
"1117453"	210.466268	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2Na"	45.978436
"1400613"	140.646604	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H+2Na"	46.985712
"1431271"	421.966846	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H+HCOOH"	47.012746
"222787"	402.97634	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+3H2O+2H"	56.04448
"1512674"	436.01889	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+IsoProp+H"	61.06479
"411998"	405.930288	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+Na+K"	61.952376
"772262"	593.407338	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+Na+K"	61.952376
"1668598"	218.453238	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Na+K"	61.952376
"252925"	813.923968	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+ACN+Na"	64.015768
"1227093"	438.969868	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+ACN+Na"	64.015768
"1714399"	438.993393	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+NH4+HCOOH"	64.039293
"1178900"	147.973918	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+3Na"	68.967654
"1651594"	443.948788	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Na+HCOOH"	68.994688
"158454"	826.82724	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+2K-H"	76.91904
"597614"	1201.78134	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+2K-H"	76.91904
"1084799"	451.87314	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2K-H"	76.91904
"141977"	413.917258	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"2M+2K"	77.926316
"582057"	601.394308	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"3M+2K"	77.926316
"1083980"	226.440208	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2K"	77.926316
"1115125"	453.887692	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2K+H"	78.933592
"1350898"	453.975307	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+DMSO+H"	79.021207
"1020968"	458.014476	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2ACN+H"	83.060376
"1538278"	459.008108	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+IsoProp+Na+H"	84.054008
"1004603"	229.510876	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+2ACN+2H"	84.067652
"1599588"	459.922728	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+K+HCOOH"	84.968628
"1426350"	489.954238	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+H+CF3COOH"	115.000138
"1162347"	250.024151	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+3ACN+2H"	125.094202
"1710560"	506.980785	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+NH4+CF3COOH"	132.026685
"1646208"	511.93618	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+Na+CF3COOH"	136.98208
"1577485"	527.91012	"C18704"	"Bromuconazole"	"C13H12BrCl2N3O"	"374.9541"	"M+K+CF3COOH"	152.95602
"807851"	399.241	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M"	0
"978105"	380.22261	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-H2O-H"	-19.01839
"63426"	265.153390666667	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M-3H"	-3.021828
"506997"	398.233724	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M-3H"	-3.021828
"888078"	132.073057333333	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-3H"	-3.021828
"576"	398.233724	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M-2H"	-2.014552
"440498"	597.854224	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M-2H"	-2.014552
"818917"	198.613224	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-2H"	-2.014552
"92766"	797.474724	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M-H"	-1.007276
"529045"	1196.715724	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M-H"	-1.007276
"910866"	398.233724	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-H"	-1.007276
"57952"	814.501271	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M-2H+NH4"	16.019271
"498605"	1213.742271	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M-2H+NH4"	16.019271
"869847"	415.260271	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-2H+NH4"	16.019271
"37747"	819.456666	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M-2H+Na"	20.974666
"481681"	1218.697666	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M-2H+Na"	20.974666
"863741"	420.215666	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-2H+Na"	20.974666
"1632297"	420.215666	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Na-2H"	20.974666
"108825"	416.222063	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M-H+Cl"	33.962126
"547292"	615.842563	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M-H+Cl"	33.962126
"940804"	216.601563	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-H+Cl"	33.962126
"273893"	833.451402	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+Cl"	34.969402
"668501"	1232.692402	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+Cl"	34.969402
"1278716"	434.210402	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Cl"	34.969402
"19088"	835.430606	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M-2H+K"	36.948606
"461929"	1234.671606	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M-2H+K"	36.948606
"839730"	436.189606	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-2H+K"	36.948606
"1567593"	436.189606	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+K-2H"	36.948606
"955846"	444.239194	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-H+HCOOH"	44.998194
"367135"	843.480201	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+HCOOH-H"	44.998201
"356485"	857.495851	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+Hac-H"	59.013851
"1496206"	458.254851	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Hac-H"	59.013851
"972142"	466.221151	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-H+NaCOOH"	66.980151
"124823"	434.210402	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+2Cl"	69.938804
"564261"	633.830902	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+2Cl"	69.938804
"1031960"	234.589902	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2Cl"	69.938804
"1254093"	478.159885	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Br"	78.918885
"1315447"	480.215872	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Cl+HCOOH"	80.974872
"1331484"	502.197829	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Cl+NaCOOH"	102.956829
"915615"	512.226586	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M-H+CF3COOH"	112.985586
"1298886"	548.203264	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Cl+CF3COOH"	148.962264
"1374495"	364.228324	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H-2H2O"	-35.012676
"1390897"	382.2383	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H-H2O"	-17.0027
"293866"	799.489276	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+H"	1.007276
"684100"	1198.730276	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+H"	1.007276
"1354980"	400.248276	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H"	1.007276
"130053"	400.248276	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+2H"	2.014552
"568523"	599.868776	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+2H"	2.014552
"1047164"	200.627776	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2H"	2.014552
"211783"	267.167942666667	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+3H"	3.021828
"651344"	400.248276	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+3H"	3.021828
"1174943"	134.087609333333	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+3H"	3.021828
"433841"	816.515823	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+NH4"	18.033823
"793741"	1215.756823	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+NH4"	18.033823
"1688981"	417.274823	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+NH4"	18.033823
"331791"	408.7615495	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+H+NH4"	19.041099
"728592"	608.3820495	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+H+NH4"	19.041099
"1486789"	209.1410495	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H+NH4"	19.041099
"396720"	821.471218	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+Na"	22.989218
"758809"	1220.712218	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+Na"	22.989218
"1603988"	422.230218	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Na"	22.989218
"316572"	411.239247	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+H+Na"	23.996494
"708995"	610.859747	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+H+Na"	23.996494
"1462449"	211.618747	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H+Na"	23.996494
"1053629"	141.414923333333	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2H+Na"	25.00377
"1257495"	432.274486	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+CH3OH+H"	33.033486
"381417"	837.445158	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+K"	38.963158
"744236"	1236.686158	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+K"	38.963158
"1543007"	438.204158	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+K"	38.963158
"299085"	419.226217	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+H+K"	39.970434
"692234"	618.846717	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+H+K"	39.970434
"1446789"	219.605717	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H+K"	39.970434
"238312"	840.515826	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+ACN+H"	42.033826
"1214301"	441.274826	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+ACN+H"	42.033826
"1199647"	221.141051	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+ACN+2H"	43.041102
"190692"	843.45316	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+2Na-H"	44.97116
"630250"	1242.69416	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+2Na-H"	44.97116
"1133028"	444.21216	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2Na-H"	44.97116
"175596"	422.230218	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+2Na"	45.978436
"614297"	621.850718	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+2Na"	45.978436
"1116958"	222.609718	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2Na"	45.978436
"1400359"	148.742237333333	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H+2Na"	46.985712
"1430771"	446.253746	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H+HCOOH"	47.012746
"221804"	427.26324	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+3H2O+2H"	56.04448
"1511326"	460.30579	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+IsoProp+H"	61.06479
"412473"	430.217188	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+Na+K"	61.952376
"772736"	629.837688	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+Na+K"	61.952376
"1666885"	230.596688	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Na+K"	61.952376
"252672"	862.497768	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+ACN+Na"	64.015768
"1226473"	463.256768	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+ACN+Na"	64.015768
"1714632"	463.280293	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+NH4+HCOOH"	64.039293
"1178655"	156.069551333333	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+3Na"	68.967654
"1650612"	468.235688	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Na+HCOOH"	68.994688
"157962"	875.40104	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+2K-H"	76.91904
"599954"	1274.64204	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+2K-H"	76.91904
"1086412"	476.16004	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2K-H"	76.91904
"141885"	438.204158	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"2M+2K"	77.926316
"581410"	637.824658	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"3M+2K"	77.926316
"1083607"	238.583658	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2K"	77.926316
"1115113"	478.174592	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2K+H"	78.933592
"1350768"	478.262207	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+DMSO+H"	79.021207
"1020834"	482.301376	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2ACN+H"	83.060376
"1538997"	483.295008	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+IsoProp+Na+H"	84.054008
"1005076"	241.654326	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+2ACN+2H"	84.067652
"1600793"	484.209628	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+K+HCOOH"	84.968628
"1429616"	514.241138	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+H+CF3COOH"	115.000138
"1162758"	262.167601	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+3ACN+2H"	125.094202
"1710670"	531.267685	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+NH4+CF3COOH"	132.026685
"1646318"	536.22308	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+Na+CF3COOH"	136.98208
"1577595"	552.19702	"C18705"	"Butroxydim"	"C24H33NO4"	"399.241"	"M+K+CF3COOH"	152.95602
"804681"	73.0891	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M"	0
"977122"	54.07071	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-H2O-H"	-19.01839
"64265"	47.7187906666667	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M-3H"	-3.021828
"506013"	72.081824	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M-3H"	-3.021828
"883814"	23.3557573333333	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-3H"	-3.021828
"1295"	72.081824	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M-2H"	-2.014552
"440327"	108.626374	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M-2H"	-2.014552
"819026"	35.537274	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-2H"	-2.014552
"89597"	145.170924	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M-H"	-1.007276
"526969"	218.260024	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M-H"	-1.007276
"910247"	72.081824	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-H"	-1.007276
"59156"	162.197471	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M-2H+NH4"	16.019271
"498715"	235.286571	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M-2H+NH4"	16.019271
"879743"	89.108371	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-2H+NH4"	16.019271
"37857"	167.152866	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M-2H+Na"	20.974666
"481791"	240.241966	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M-2H+Na"	20.974666
"862510"	94.063766	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-2H+Na"	20.974666
"1632407"	94.063766	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Na-2H"	20.974666
"107842"	90.070163	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M-H+Cl"	33.962126
"547402"	126.614713	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M-H+Cl"	33.962126
"938728"	53.525613	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-H+Cl"	33.962126
"276190"	181.147602	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+Cl"	34.969402
"670798"	254.236702	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+Cl"	34.969402
"1278826"	108.058502	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Cl"	34.969402
"18469"	183.126806	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M-2H+K"	36.948606
"460946"	256.215906	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M-2H+K"	36.948606
"838747"	110.037706	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-2H+K"	36.948606
"1566610"	110.037706	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+K-2H"	36.948606
"957049"	118.087294	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-H+HCOOH"	44.998194
"366152"	191.176401	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+HCOOH-H"	44.998201
"358783"	205.192051	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+Hac-H"	59.013851
"1495588"	132.102951	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Hac-H"	59.013851
"972616"	140.069251	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-H+NaCOOH"	66.980151
"124691"	108.058502	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+2Cl"	69.938804
"563639"	144.603052	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+2Cl"	69.938804
"1033530"	71.513952	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2Cl"	69.938804
"1253837"	152.007985	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Br"	78.918885
"1316286"	154.063972	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Cl+HCOOH"	80.974872
"1328676"	176.045929	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Cl+NaCOOH"	102.956829
"920827"	186.074686	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M-H+CF3COOH"	112.985586
"1296444"	222.051364	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Cl+CF3COOH"	148.962264
"1372418"	38.076424	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H-2H2O"	-35.012676
"1391007"	56.0864	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H-H2O"	-17.0027
"291788"	147.185476	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+H"	1.007276
"684209"	220.274576	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+H"	1.007276
"1356180"	74.096376	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H"	1.007276
"130162"	74.096376	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+2H"	2.014552
"568633"	110.640926	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+2H"	2.014552
"1040712"	37.551826	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2H"	2.014552
"212987"	49.7333426666667	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+3H"	3.021828
"651454"	74.096376	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+3H"	3.021828
"1171773"	25.3703093333333	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+3H"	3.021828
"433951"	164.212023	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+NH4"	18.033823
"790570"	237.301123	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+NH4"	18.033823
"1689091"	91.122923	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+NH4"	18.033823
"331173"	82.6096495	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+H+NH4"	19.041099
"728702"	119.1541995	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+H+NH4"	19.041099
"1483618"	46.0650995	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H+NH4"	19.041099
"396828"	169.167418	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+Na"	22.989218
"754323"	242.256518	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+Na"	22.989218
"1604460"	96.078318	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Na"	22.989218
"315589"	85.087347	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+H+Na"	23.996494
"709470"	121.631897	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+H+Na"	23.996494
"1461500"	48.542797	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H+Na"	23.996494
"1052787"	32.6976233333333	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2H+Na"	25.00377
"1257277"	106.122586	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+CH3OH+H"	33.033486
"378611"	185.141358	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+K"	38.963158
"742159"	258.230458	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+K"	38.963158
"1540564"	112.052258	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+K"	38.963158
"298586"	93.074317	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+H+K"	39.970434
"691478"	129.618867	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+H+K"	39.970434
"1446288"	56.529767	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H+K"	39.970434
"236590"	188.212026	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+ACN+H"	42.033826
"1210763"	115.122926	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+ACN+H"	42.033826
"1197569"	58.065101	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+ACN+2H"	43.041102
"191167"	191.14936	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+2Na-H"	44.97116
"630359"	264.23846	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+2Na-H"	44.97116
"1134589"	118.06026	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2Na-H"	44.97116
"174244"	96.078318	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+2Na"	45.978436
"613558"	132.622868	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+2Na"	45.978436
"1116578"	59.533768	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2Na"	45.978436
"1399859"	40.0249373333333	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H+2Na"	46.985712
"1430757"	120.101846	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H+HCOOH"	47.012746
"223010"	101.11134	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+3H2O+2H"	56.04448
"1508756"	134.15389	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+IsoProp+H"	61.06479
"410028"	104.065288	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+Na+K"	61.952376
"770658"	140.609838	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+Na+K"	61.952376
"1665610"	67.520738	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Na+K"	61.952376
"253143"	210.193968	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+ACN+Na"	64.015768
"1226582"	137.104868	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+ACN+Na"	64.015768
"1712906"	137.128393	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+NH4+HCOOH"	64.039293
"1178492"	47.3522513333333	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+3Na"	68.967654
"1650435"	142.083788	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Na+HCOOH"	68.994688
"157228"	223.09724	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+2K-H"	76.91904
"597349"	296.18634	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+2K-H"	76.91904
"1084940"	150.00814	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2K-H"	76.91904
"141542"	112.052258	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"2M+2K"	77.926316
"581585"	148.596808	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"3M+2K"	77.926316
"1083715"	75.507708	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2K"	77.926316
"1115422"	152.022692	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2K+H"	78.933592
"1350994"	152.110307	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+DMSO+H"	79.021207
"1021104"	156.149476	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2ACN+H"	83.060376
"1539861"	157.143108	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+IsoProp+Na+H"	84.054008
"1005433"	78.578376	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+2ACN+2H"	84.067652
"1600903"	158.057728	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+K+HCOOH"	84.968628
"1429849"	188.089238	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+H+CF3COOH"	115.000138
"1162201"	99.091651	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+3ACN+2H"	125.094202
"1710780"	205.115785	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+NH4+CF3COOH"	132.026685
"1643148"	210.07118	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+Na+CF3COOH"	136.98208
"1574425"	226.04512	"C18706"	"Butylamine"	"C4H11N"	"73.0891"	"M+K+CF3COOH"	152.95602
"804791"	307.9621	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M"	0
"981605"	288.94371	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-H2O-H"	-19.01839
"66564"	204.300790666667	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M-3H"	-3.021828
"508310"	306.954824	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M-3H"	-3.021828
"886111"	101.646757333333	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-3H"	-3.021828
"1041"	306.954824	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M-2H"	-2.014552
"440966"	460.935874	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M-2H"	-2.014552
"819137"	152.973774	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-2H"	-2.014552
"89707"	614.916924	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M-H"	-1.007276
"528172"	922.879024	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M-H"	-1.007276
"908902"	306.954824	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-H"	-1.007276
"55987"	631.943471	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M-2H+NH4"	16.019271
"496639"	939.905571	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M-2H+NH4"	16.019271
"876631"	323.981371	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-2H+NH4"	16.019271
"43434"	636.898866	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M-2H+Na"	20.974666
"484817"	944.860966	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M-2H+Na"	20.974666
"862622"	328.936766	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-2H+Na"	20.974666
"1632517"	328.936766	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Na-2H"	20.974666
"109048"	324.943163	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M-H+Cl"	33.962126
"548484"	478.924213	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M-H+Cl"	33.962126
"936652"	170.962113	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-H+Cl"	33.962126
"274114"	650.893602	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+Cl"	34.969402
"666535"	958.855702	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+Cl"	34.969402
"1278936"	342.931502	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Cl"	34.969402
"18215"	652.872806	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M-2H+K"	36.948606
"462149"	960.834906	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M-2H+K"	36.948606
"837763"	344.910706	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-2H+K"	36.948606
"1567813"	344.910706	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+K-2H"	36.948606
"956795"	352.960294	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-H+HCOOH"	44.998194
"367355"	660.922401	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+HCOOH-H"	44.998201
"358893"	674.938051	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+Hac-H"	59.013851
"1496791"	366.975951	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Hac-H"	59.013851
"972001"	374.942251	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-H+NaCOOH"	66.980151
"125648"	342.931502	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+2Cl"	69.938804
"562293"	496.912552	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+2Cl"	69.938804
"1034373"	188.950452	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2Cl"	69.938804
"1254308"	386.880985	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Br"	78.918885
"1315665"	388.936972	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Cl+HCOOH"	80.974872
"1330973"	410.918929	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Cl+NaCOOH"	102.956829
"916564"	420.947686	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M-H+CF3COOH"	112.985586
"1294367"	456.924364	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Cl+CF3COOH"	148.962264
"1376902"	272.949424	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H-2H2O"	-35.012676
"1391117"	290.9594	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H-H2O"	-17.0027
"295545"	616.931476	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+H"	1.007276
"683955"	924.893576	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+H"	1.007276
"1354469"	308.969376	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H"	1.007276
"131370"	308.969376	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+2H"	2.014552
"573118"	462.950426	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+2H"	2.014552
"1045197"	154.988326	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2H"	2.014552
"209815"	206.315342666667	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+3H"	3.021828
"649375"	308.969376	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+3H"	3.021828
"1170789"	103.661309333333	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+3H"	3.021828
"434060"	633.958023	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+NH4"	18.033823
"793963"	941.920123	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+NH4"	18.033823
"1687014"	325.995923	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+NH4"	18.033823
"332011"	317.4826495	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+H+NH4"	19.041099
"727719"	471.4636995	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+H+NH4"	19.041099
"1483728"	163.5015995	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H+NH4"	19.041099
"393527"	638.913418	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+Na"	22.989218
"756470"	946.875518	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+Na"	22.989218
"1603717"	330.951318	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Na"	22.989218
"314847"	319.960347	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+H+Na"	23.996494
"710673"	473.941397	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+H+Na"	23.996494
"1463035"	165.979297	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H+Na"	23.996494
"1053605"	110.988623333333	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2H+Na"	25.00377
"1257351"	340.995586	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+CH3OH+H"	33.033486
"380181"	654.887358	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+K"	38.963158
"739715"	962.849458	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+K"	38.963158
"1539892"	346.925258	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+K"	38.963158
"298608"	327.947317	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+H+K"	39.970434
"691435"	481.928367	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+H+K"	39.970434
"1445951"	173.966267	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H+K"	39.970434
"236334"	657.958026	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+ACN+H"	42.033826
"1210183"	349.995926	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+ACN+H"	42.033826
"1198409"	175.501601	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+ACN+2H"	43.041102
"193829"	660.89536	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+2Na-H"	44.97116
"629377"	968.85746	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+2Na-H"	44.97116
"1134699"	352.93326	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2Na-H"	44.97116
"177640"	330.951318	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+2Na"	45.978436
"614525"	484.932368	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+2Na"	45.978436
"1116935"	176.970268	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2Na"	45.978436
"1399484"	118.315937333333	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H+2Na"	46.985712
"1431600"	354.974846	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H+HCOOH"	47.012746
"221051"	335.98434	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+3H2O+2H"	56.04448
"1510451"	369.02689	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+IsoProp+H"	61.06479
"410867"	338.938288	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+Na+K"	61.952376
"771502"	492.919338	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+Na+K"	61.952376
"1667827"	184.957238	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Na+K"	61.952376
"252284"	679.939968	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+ACN+Na"	64.015768
"1226693"	371.977868	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+ACN+Na"	64.015768
"1713228"	372.001393	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+NH4+HCOOH"	64.039293
"1179191"	125.643251333333	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+3Na"	68.967654
"1649913"	376.956788	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Na+HCOOH"	68.994688
"158058"	692.84324	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+2K-H"	76.91904
"597210"	1000.80534	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+2K-H"	76.91904
"1085779"	384.88114	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2K-H"	76.91904
"141694"	346.925258	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"2M+2K"	77.926316
"581496"	500.906308	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"3M+2K"	77.926316
"1083572"	192.944208	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2K"	77.926316
"1115086"	386.895692	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2K+H"	78.933592
"1351024"	386.983307	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+DMSO+H"	79.021207
"1020603"	391.022476	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2ACN+H"	83.060376
"1534596"	392.016108	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+IsoProp+Na+H"	84.054008
"1003231"	196.014876	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+2ACN+2H"	84.067652
"1596639"	392.930728	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+K+HCOOH"	84.968628
"1429552"	422.962238	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+H+CF3COOH"	115.000138
"1160246"	216.528151	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+3ACN+2H"	125.094202
"1709797"	439.988785	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+NH4+CF3COOH"	132.026685
"1643258"	444.94418	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+Na+CF3COOH"	136.98208
"1575628"	460.91812	"C18707"	"Chloralose"	"C8H11Cl3O6"	"307.9621"	"M+K+CF3COOH"	152.95602
"804901"	396.1307	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M"	0
"975394"	377.11231	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-H2O-H"	-19.01839
"67767"	263.079857333333	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M-3H"	-3.021828
"509514"	395.123424	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M-3H"	-3.021828
"885129"	131.036290666667	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-3H"	-3.021828
"540"	395.123424	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M-2H"	-2.014552
"440950"	593.188774	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M-2H"	-2.014552
"821071"	197.058074	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-2H"	-2.014552
"89817"	791.254124	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M-H"	-1.007276
"528282"	1187.384824	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M-H"	-1.007276
"905003"	395.123424	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-H"	-1.007276
"53910"	808.280671	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M-2H+NH4"	16.019271
"495656"	1204.411371	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M-2H+NH4"	16.019271
"875283"	412.149971	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-2H+NH4"	16.019271
"43180"	813.236066	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M-2H+Na"	20.974666
"484198"	1209.366766	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M-2H+Na"	20.974666
"861635"	417.105366	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-2H+Na"	20.974666
"1631781"	417.105366	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Na-2H"	20.974666
"107581"	413.111763	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M-H+Cl"	33.962126
"548595"	611.177113	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M-H+Cl"	33.962126
"936762"	215.046413	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-H+Cl"	33.962126
"275318"	827.230802	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+Cl"	34.969402
"666645"	1223.361502	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+Cl"	34.969402
"1282326"	431.100102	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Cl"	34.969402
"19419"	829.210006	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M-2H+K"	36.948606
"460073"	1225.340706	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M-2H+K"	36.948606
"836780"	433.079306	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-2H+K"	36.948606
"1566830"	433.079306	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+K-2H"	36.948606
"957758"	441.128894	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-H+HCOOH"	44.998194
"375485"	837.259601	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+HCOOH-H"	44.998201
"356817"	851.275251	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+Hac-H"	59.013851
"1499089"	455.144551	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Hac-H"	59.013851
"965539"	463.110851	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-H+NaCOOH"	66.980151
"123207"	431.100102	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+2Cl"	69.938804
"565319"	629.165452	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+2Cl"	69.938804
"1036306"	233.034752	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2Cl"	69.938804
"1254423"	475.049585	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Br"	78.918885
"1318695"	477.105572	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Cl+HCOOH"	80.974872
"1332542"	499.087529	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Cl+NaCOOH"	102.956829
"922141"	509.116286	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M-H+CF3COOH"	112.985586
"1298851"	545.092964	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Cl+CF3COOH"	148.962264
"1379928"	361.118024	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H-2H2O"	-35.012676
"1394507"	379.128	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H-H2O"	-17.0027
"296750"	793.268676	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+H"	1.007276
"688074"	1189.399376	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+H"	1.007276
"1353849"	397.137976	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H"	1.007276
"136585"	397.137976	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+2H"	2.014552
"573228"	595.203326	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+2H"	2.014552
"1044214"	199.072626	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2H"	2.014552
"207738"	265.094409333333	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+3H"	3.021828
"648392"	397.137976	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+3H"	3.021828
"1169806"	133.050842666667	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+3H"	3.021828
"434170"	810.295223	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+NH4"	18.033823
"792980"	1206.425923	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+NH4"	18.033823
"1689312"	414.164523	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+NH4"	18.033823
"334311"	405.6512495	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+H+NH4"	19.041099
"724911"	603.7165995	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+H+NH4"	19.041099
"1488940"	207.5858995	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H+NH4"	19.041099
"395953"	815.250618	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+Na"	22.989218
"759137"	1211.381318	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+Na"	22.989218
"1605411"	419.119918	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Na"	22.989218
"317271"	408.128947	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+H+Na"	23.996494
"710784"	606.194297	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+H+Na"	23.996494
"1466792"	210.063597	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H+Na"	23.996494
"1057483"	140.378156666667	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2H+Na"	25.00377
"1261715"	429.164186	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+CH3OH+H"	33.033486
"382479"	831.224558	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+K"	38.963158
"742013"	1227.355258	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+K"	38.963158
"1541511"	435.093858	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+K"	38.963158
"299780"	416.115917	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+H+K"	39.970434
"691829"	614.181267	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+H+K"	39.970434
"1447480"	218.050567	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H+K"	39.970434
"236037"	834.295226	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+ACN+H"	42.033826
"1211712"	438.164526	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+ACN+H"	42.033826
"1198519"	219.585901	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+ACN+2H"	43.041102
"193939"	837.23256	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+2Na-H"	44.97116
"631308"	1233.36326	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+2Na-H"	44.97116
"1134446"	441.10186	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2Na-H"	44.97116
"175186"	419.119918	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+2Na"	45.978436
"616578"	617.185268	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+2Na"	45.978436
"1117896"	221.054568	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2Na"	45.978436
"1399717"	147.705470666667	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H+2Na"	46.985712
"1431347"	443.143446	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H+HCOOH"	47.012746
"221037"	424.15294	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+3H2O+2H"	56.04448
"1510567"	457.19549	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+IsoProp+H"	61.06479
"411342"	427.106888	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+Na+K"	61.952376
"771611"	625.172238	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+Na+K"	61.952376
"1666603"	229.041538	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Na+K"	61.952376
"251909"	856.277168	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+ACN+Na"	64.015768
"1225991"	460.146468	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+ACN+Na"	64.015768
"1713502"	460.169993	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+NH4+HCOOH"	64.039293
"1178589"	155.032784666667	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+3Na"	68.967654
"1649890"	465.125388	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Na+HCOOH"	68.994688
"157253"	869.18044	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+2K-H"	76.91904
"597205"	1265.31114	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+2K-H"	76.91904
"1084232"	473.04974	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2K-H"	76.91904
"141447"	435.093858	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"2M+2K"	77.926316
"581430"	633.159208	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"3M+2K"	77.926316
"1083440"	237.028508	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2K"	77.926316
"1115075"	475.064292	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2K+H"	78.933592
"1351174"	475.151907	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+DMSO+H"	79.021207
"1021200"	479.191076	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2ACN+H"	83.060376
"1535799"	480.184708	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+IsoProp+Na+H"	84.054008
"1004192"	240.099176	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+2ACN+2H"	84.067652
"1598935"	481.099328	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+K+HCOOH"	84.968628
"1426419"	511.130838	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+H+CF3COOH"	115.000138
"1160722"	260.612451	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+3ACN+2H"	125.094202
"1711000"	528.157385	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+NH4+CF3COOH"	132.026685
"1646648"	533.11278	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+Na+CF3COOH"	136.98208
"1577925"	549.08672	"C18708"	"Chlorphonium chloride;Phosfon D"	"C19H32Cl2PCl"	"396.1307"	"M+K+CF3COOH"	152.95602
"814489"	384.0845	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M"	0
"981825"	365.06611	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-H2O-H"	-19.01839
"68972"	255.049057333333	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M-3H"	-3.021828
"507438"	383.077224	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M-3H"	-3.021828
"886334"	127.020890666667	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-3H"	-3.021828
"4909"	383.077224	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M-2H"	-2.014552
"443374"	575.119474	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M-2H"	-2.014552
"822275"	191.034974	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-2H"	-2.014552
"92964"	767.161724	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M-H"	-1.007276
"528392"	1151.246224	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M-H"	-1.007276
"906207"	383.077224	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-H"	-1.007276
"51832"	784.188271	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M-2H+NH4"	16.019271
"495764"	1168.272771	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M-2H+NH4"	16.019271
"875755"	400.103771	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-2H+NH4"	16.019271
"44383"	789.143666	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M-2H+Na"	20.974666
"484308"	1173.228166	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M-2H+Na"	20.974666
"858828"	405.059166	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-2H+Na"	20.974666
"1629455"	405.059166	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Na-2H"	20.974666
"105983"	401.065563	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M-H+Cl"	33.962126
"541169"	593.107813	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M-H+Cl"	33.962126
"934683"	209.023313	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-H+Cl"	33.962126
"268256"	803.138402	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+Cl"	34.969402
"665661"	1187.222902	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+Cl"	34.969402
"1278062"	419.053902	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Cl"	34.969402
"18435"	805.117606	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M-2H+K"	36.948606
"462369"	1189.202106	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M-2H+K"	36.948606
"834703"	421.033106	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-2H+K"	36.948606
"1564753"	421.033106	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+K-2H"	36.948606
"958340"	429.082694	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-H+HCOOH"	44.998194
"375474"	813.167201	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+HCOOH-H"	44.998201
"358628"	827.182851	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+Hac-H"	59.013851
"1502478"	443.098351	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Hac-H"	59.013851
"968929"	451.064651	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-H+NaCOOH"	66.980151
"122950"	419.053902	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+2Cl"	69.938804
"563969"	611.096152	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+2Cl"	69.938804
"1035685"	227.011652	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2Cl"	69.938804
"1256354"	463.003385	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Br"	78.918885
"1316975"	465.059372	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Cl+HCOOH"	80.974872
"1333016"	487.041329	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Cl+NaCOOH"	102.956829
"922251"	497.070086	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M-H+CF3COOH"	112.985586
"1298961"	533.046764	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Cl+CF3COOH"	148.962264
"1376026"	349.071824	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H-2H2O"	-35.012676
"1386963"	367.0818	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H-H2O"	-17.0027
"292117"	769.176276	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+H"	1.007276
"680164"	1153.260776	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+H"	1.007276
"1353593"	385.091776	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H"	1.007276
"139612"	385.091776	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+2H"	2.014552
"575524"	577.134026	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+2H"	2.014552
"1045417"	193.049526	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2H"	2.014552
"207119"	257.063609333333	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+3H"	3.021828
"648502"	385.091776	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+3H"	3.021828
"1167729"	129.035442666667	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+3H"	3.021828
"427720"	786.202823	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+NH4"	18.033823
"788712"	1170.287323	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+NH4"	18.033823
"1691609"	402.118323	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+NH4"	18.033823
"333692"	393.6050495	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+H+NH4"	19.041099
"725751"	585.6472995	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+H+NH4"	19.041099
"1489414"	201.5627995	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H+NH4"	19.041099
"396063"	791.158218	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+Na"	22.989218
"755967"	1175.242718	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+Na"	22.989218
"1604550"	407.073718	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Na"	22.989218
"315923"	396.082747	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+H+Na"	23.996494
"710894"	588.124997	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+H+Na"	23.996494
"1464714"	204.040497	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H+Na"	23.996494
"1056866"	136.362756666667	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2H+Na"	25.00377
"1260732"	417.117986	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+CH3OH+H"	33.033486
"381497"	807.132158	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+K"	38.963158
"741759"	1191.216658	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+K"	38.963158
"1542352"	423.047658	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+K"	38.963158
"299162"	404.069717	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+H+K"	39.970434
"691816"	596.111967	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+H+K"	39.970434
"1448685"	212.027467	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H+K"	39.970434
"236187"	810.202826	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+ACN+H"	42.033826
"1210726"	426.118326	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+ACN+H"	42.033826
"1201908"	213.562801	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+ACN+2H"	43.041102
"194779"	813.14016	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+2Na-H"	44.97116
"631419"	1197.22466	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+2Na-H"	44.97116
"1133828"	429.05566	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2Na-H"	44.97116
"176393"	407.073718	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+2Na"	45.978436
"618510"	599.115968	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+2Na"	45.978436
"1122016"	215.031468	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2Na"	45.978436
"1400077"	143.690070666667	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H+2Na"	46.985712
"1431093"	431.097246	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H+HCOOH"	47.012746
"221512"	412.10674	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+3H2O+2H"	56.04448
"1510673"	445.14929	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+IsoProp+H"	61.06479
"409998"	415.060688	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+Na+K"	61.952376
"772091"	607.102938	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+Na+K"	61.952376
"1666594"	223.018438	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Na+K"	61.952376
"252022"	832.184768	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+ACN+Na"	64.015768
"1227280"	448.100268	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+ACN+Na"	64.015768
"1714707"	448.123793	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+NH4+HCOOH"	64.039293
"1178804"	151.017384666667	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+3Na"	68.967654
"1650315"	453.079188	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Na+HCOOH"	68.994688
"157538"	845.08804	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+2K-H"	76.91904
"597869"	1229.17254	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+2K-H"	76.91904
"1084611"	461.00354	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2K-H"	76.91904
"141871"	423.047658	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"2M+2K"	77.926316
"581755"	615.089908	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"3M+2K"	77.926316
"1082820"	231.005408	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2K"	77.926316
"1114943"	463.018092	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2K+H"	78.933592
"1350719"	463.105707	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+DMSO+H"	79.021207
"1019977"	467.144876	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2ACN+H"	83.060376
"1539601"	468.138508	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+IsoProp+Na+H"	84.054008
"1003450"	234.076076	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+2ACN+2H"	84.067652
"1600138"	469.053128	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+K+HCOOH"	84.968628
"1428351"	499.084638	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+H+CF3COOH"	115.000138
"1161560"	254.589351	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+3ACN+2H"	125.094202
"1711721"	516.111185	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+NH4+CF3COOH"	132.026685
"1646758"	521.06658	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+Na+CF3COOH"	136.98208
"1578035"	537.04052	"C18709"	"Decaketide tricyclic intermediate"	"C20H16O8"	"384.0845"	"M+K+CF3COOH"	152.95602
"805122"	962.3784	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M"	0
"975737"	943.36001	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-H2O-H"	-19.01839
"64709"	640.578324	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M-3H"	-3.021828
"509735"	961.371124	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M-3H"	-3.021828
"885349"	319.785524	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-3H"	-3.021828
"1371"	961.371124	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M-2H"	-2.014552
"442023"	1442.560324	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M-2H"	-2.014552
"822385"	480.181924	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-2H"	-2.014552
"91129"	1923.749524	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M-H"	-1.007276
"528502"	2886.127924	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M-H"	-1.007276
"907412"	961.371124	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-H"	-1.007276
"55222"	1940.776071	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M-2H+NH4"	16.019271
"495874"	2903.154471	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M-2H+NH4"	16.019271
"878296"	978.397671	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-2H+NH4"	16.019271
"43764"	1945.731466	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M-2H+Na"	20.974666
"486607"	2908.109866	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M-2H+Na"	20.974666
"861125"	983.353066	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-2H+Na"	20.974666
"1629565"	983.353066	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Na-2H"	20.974666
"107186"	979.359463	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M-H+Cl"	33.962126
"541279"	1460.548663	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M-H+Cl"	33.962126
"938073"	498.170263	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-H+Cl"	33.962126
"272618"	1959.726202	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+Cl"	34.969402
"665771"	2922.104602	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+Cl"	34.969402
"1279265"	997.347802	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Cl"	34.969402
"18545"	1961.705406	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M-2H+K"	36.948606
"463572"	2924.083806	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M-2H+K"	36.948606
"836999"	999.327006	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-2H+K"	36.948606
"1564863"	999.327006	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+K-2H"	36.948606
"957864"	1007.376594	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-H+HCOOH"	44.998194
"375584"	1969.755001	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+HCOOH-H"	44.998201
"358130"	1983.770651	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+Hac-H"	59.013851
"1501494"	1021.392251	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Hac-H"	59.013851
"969039"	1029.358551	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-H+NaCOOH"	66.980151
"121599"	997.347802	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+2Cl"	69.938804
"560791"	1478.537002	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+2Cl"	69.938804
"1031775"	516.158602	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2Cl"	69.938804
"1254642"	1041.297285	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Br"	78.918885
"1317085"	1043.353272	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Cl+HCOOH"	80.974872
"1332397"	1065.335229	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Cl+NaCOOH"	102.956829
"923455"	1075.363986	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M-H+CF3COOH"	112.985586
"1299071"	1111.340664	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Cl+CF3COOH"	148.962264
"1375043"	927.365724	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H-2H2O"	-35.012676
"1387073"	945.3757	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H-H2O"	-17.0027
"292227"	1925.764076	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+H"	1.007276
"680274"	2888.142476	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+H"	1.007276
"1353703"	963.385676	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H"	1.007276
"133887"	963.385676	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+2H"	2.014552
"574541"	1444.574876	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+2H"	2.014552
"1045527"	482.196476	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2H"	2.014552
"210144"	642.592876	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+3H"	3.021828
"650798"	963.385676	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+3H"	3.021828
"1167839"	321.800076	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+3H"	3.021828
"431109"	1942.790623	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+NH4"	18.033823
"788822"	2905.169023	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+NH4"	18.033823
"1686244"	980.412223	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+NH4"	18.033823
"336707"	971.8989495	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+H+NH4"	19.041099
"725495"	1453.0881495	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+H+NH4"	19.041099
"1487337"	490.7097495	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H+NH4"	19.041099
"396173"	1947.746018	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+Na"	22.989218
"756076"	2910.124418	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+Na"	22.989218
"1605631"	985.367618	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Na"	22.989218
"317491"	974.376647	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+H+Na"	23.996494
"712097"	1455.565847	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+H+Na"	23.996494
"1467011"	493.187447	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H+Na"	23.996494
"1058069"	329.12739	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2H+Na"	25.00377
"1264123"	995.411886	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+CH3OH+H"	33.033486
"382698"	1963.719958	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+K"	38.963158
"742962"	2926.098358	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+K"	38.963158
"1541366"	1001.341558	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+K"	38.963158
"301459"	982.363617	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+H+K"	39.970434
"691687"	1463.552817	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+H+K"	39.970434
"1446972"	501.174417	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H+K"	39.970434
"235972"	1966.790626	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+ACN+H"	42.033826
"1211565"	1004.412226	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+ACN+H"	42.033826
"1204205"	502.709751	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+ACN+2H"	43.041102
"191606"	1969.72796	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+2Na-H"	44.97116
"630068"	2932.10636	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+2Na-H"	44.97116
"1132965"	1007.34956	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2Na-H"	44.97116
"176135"	985.367618	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+2Na"	45.978436
"618620"	1466.556818	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+2Na"	45.978436
"1122126"	504.178418	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2Na"	45.978436
"1400187"	336.454704	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H+2Na"	46.985712
"1431932"	1009.391146	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H+HCOOH"	47.012746
"221744"	990.40064	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+3H2O+2H"	56.04448
"1510418"	1023.44319	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+IsoProp+H"	61.06479
"411201"	993.354588	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+Na+K"	61.952376
"772201"	1474.543788	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+Na+K"	61.952376
"1666946"	512.165388	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Na+K"	61.952376
"252617"	1988.772568	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+ACN+Na"	64.015768
"1227026"	1026.394168	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+ACN+Na"	64.015768
"1714817"	1026.417693	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+NH4+HCOOH"	64.039293
"1178951"	343.782018	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+3Na"	68.967654
"1650905"	1031.373088	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Na+HCOOH"	68.994688
"157770"	2001.67584	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+2K-H"	76.91904
"598185"	2964.05424	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+2K-H"	76.91904
"1084762"	1039.29744	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2K-H"	76.91904
"141821"	1001.341558	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"2M+2K"	77.926316
"582346"	1482.530758	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"3M+2K"	77.926316
"1082930"	520.152358	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2K"	77.926316
"1114446"	1041.311992	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2K+H"	78.933592
"1349252"	1041.399607	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+DMSO+H"	79.021207
"1018632"	1045.438776	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2ACN+H"	83.060376
"1539305"	1046.432408	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+IsoProp+Na+H"	84.054008
"1002467"	523.223026	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+2ACN+2H"	84.067652
"1600977"	1047.347028	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+K+HCOOH"	84.968628
"1427368"	1077.378538	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+H+CF3COOH"	115.000138
"1162155"	543.736301	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+3ACN+2H"	125.094202
"1711829"	1094.405085	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+NH4+CF3COOH"	132.026685
"1646868"	1099.36048	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+Na+CF3COOH"	136.98208
"1578145"	1115.33442	"C18710"	"3A-Deolivosylpremithramycin B"	"C47H62O21"	"962.3784"	"M+K+CF3COOH"	152.95602
"805232"	1082.457	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M"	0
"976577"	1063.43861	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-H2O-H"	-19.01839
"64940"	720.630724	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M-3H"	-3.021828
"509845"	1081.449724	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M-3H"	-3.021828
"884366"	359.811724	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-3H"	-3.021828
"631"	1081.449724	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M-2H"	-2.014552
"440677"	1622.678224	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M-2H"	-2.014552
"821401"	540.221224	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-2H"	-2.014552
"91239"	2163.906724	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M-H"	-1.007276
"528612"	3246.363724	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M-H"	-1.007276
"908252"	1081.449724	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-H"	-1.007276
"58612"	2180.933271	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M-2H+NH4"	16.019271
"497079"	3263.390271	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M-2H+NH4"	16.019271
"874879"	1098.476271	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-2H+NH4"	16.019271
"44965"	2185.888666	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M-2H+Na"	20.974666
"483435"	3268.345666	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M-2H+Na"	20.974666
"860142"	1103.431666	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-2H+Na"	20.974666
"1631864"	1103.431666	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Na-2H"	20.974666
"107296"	1099.438063	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M-H+Cl"	33.962126
"544669"	1640.666563	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M-H+Cl"	33.962126
"934903"	558.209563	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-H+Cl"	33.962126
"271999"	2199.883402	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+Cl"	34.969402
"664787"	3282.340402	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+Cl"	34.969402
"1277187"	1117.426402	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Cl"	34.969402
"19748"	2201.862606	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M-2H+K"	36.948606
"464775"	3284.319606	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M-2H+K"	36.948606
"837109"	1119.405606	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-2H+K"	36.948606
"1562056"	1119.405606	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+K-2H"	36.948606
"953592"	1127.455194	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-H+HCOOH"	44.998194
"376631"	2209.912201	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+HCOOH-H"	44.998201
"357147"	2223.927851	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+Hac-H"	59.013851
"1500512"	1141.470851	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Hac-H"	59.013851
"969149"	1149.437151	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-H+NaCOOH"	66.980151
"122802"	1117.426402	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+2Cl"	69.938804
"561995"	1658.654902	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+2Cl"	69.938804
"1032979"	576.197902	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2Cl"	69.938804
"1255845"	1161.375885	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Br"	78.918885
"1318289"	1163.431872	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Cl+HCOOH"	80.974872
"1332143"	1185.413829	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Cl+NaCOOH"	102.956829
"925388"	1195.442586	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M-H+CF3COOH"	112.985586
"1298088"	1231.419264	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Cl+CF3COOH"	148.962264
"1375153"	1047.444324	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H-2H2O"	-35.012676
"1390463"	1065.4543	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H-H2O"	-17.0027
"293432"	2165.921276	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+H"	1.007276
"685488"	3248.378276	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+H"	1.007276
"1355637"	1083.464276	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H"	1.007276
"139832"	1083.464276	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+2H"	2.014552
"576475"	1624.692776	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+2H"	2.014552
"1042358"	542.235776	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2H"	2.014552
"207706"	722.645276	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+3H"	3.021828
"649085"	1083.464276	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+3H"	3.021828
"1166855"	361.826276	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+3H"	3.021828
"432313"	2182.947823	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+NH4"	18.033823
"790391"	3265.404823	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+NH4"	18.033823
"1683076"	1100.490823	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+NH4"	18.033823
"332445"	1091.9775495	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+H+NH4"	19.041099
"725604"	1633.2060495	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+H+NH4"	19.041099
"1485260"	550.7490495	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H+NH4"	19.041099
"396283"	2187.903218	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+Na"	22.989218
"756186"	3270.360218	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+Na"	22.989218
"1603673"	1105.446218	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Na"	22.989218
"315657"	1094.455247	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+H+Na"	23.996494
"711114"	1635.683747	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+H+Na"	23.996494
"1466028"	553.226747	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H+Na"	23.996494
"1054532"	369.15359	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2H+Na"	25.00377
"1260226"	1115.490486	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+CH3OH+H"	33.033486
"380986"	2203.877158	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+K"	38.963158
"740886"	3286.334158	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+K"	38.963158
"1540749"	1121.420158	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+K"	38.963158
"300842"	1102.442217	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+H+K"	39.970434
"691557"	1643.670717	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+H+K"	39.970434
"1446351"	561.213717	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H+K"	39.970434
"235817"	2206.947826	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+ACN+H"	42.033826
"1211311"	1124.490826	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+ACN+H"	42.033826
"1202129"	562.749051	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+ACN+2H"	43.041102
"190622"	2209.88516	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+2Na-H"	44.97116
"629572"	3292.34216	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+2Na-H"	44.97116
"1132954"	1127.42816	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2Na-H"	44.97116
"175518"	1105.446218	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+2Na"	45.978436
"619824"	1646.674718	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+2Na"	45.978436
"1124423"	564.217718	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2Na"	45.978436
"1405759"	376.480904	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H+2Na"	46.985712
"1435693"	1129.469746	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H+HCOOH"	47.012746
"222835"	1110.47924	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+3H2O+2H"	56.04448
"1509557"	1143.52179	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+IsoProp+H"	61.06479
"410218"	1113.433188	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+Na+K"	61.952376
"773040"	1654.661688	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+Na+K"	61.952376
"1667178"	572.204688	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Na+K"	61.952376
"251838"	2228.929768	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+ACN+Na"	64.015768
"1226287"	1146.472768	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+ACN+Na"	64.015768
"1714322"	1146.496293	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+NH4+HCOOH"	64.039293
"1180285"	383.808218	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+3Na"	68.967654
"1650206"	1151.451688	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Na+HCOOH"	68.994688
"158006"	2241.83304	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+2K-H"	76.91904
"597567"	3324.29004	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+2K-H"	76.91904
"1084387"	1159.37604	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2K-H"	76.91904
"141461"	1121.420158	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"2M+2K"	77.926316
"581692"	1662.648658	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"3M+2K"	77.926316
"1083169"	580.191658	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2K"	77.926316
"1113948"	1161.390592	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2K+H"	78.933592
"1349603"	1161.478207	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+DMSO+H"	79.021207
"1018741"	1165.517376	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2ACN+H"	83.060376
"1539295"	1166.511008	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+IsoProp+Na+H"	84.054008
"1004157"	583.262326	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+2ACN+2H"	84.067652
"1601451"	1167.425628	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+K+HCOOH"	84.968628
"1428571"	1197.457138	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+H+CF3COOH"	115.000138
"1162508"	603.775601	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+3ACN+2H"	125.094202
"1711941"	1214.483685	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+NH4+CF3COOH"	132.026685
"1646978"	1219.43908	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+Na+CF3COOH"	136.98208
"1578255"	1235.41302	"C18711"	"Mithramycin DK"	"C52H74O24"	"1082.457"	"M+K+CF3COOH"	152.95602
"805342"	96.9351	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M"	0
"974236"	77.91671	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-H2O-H"	-19.01839
"64928"	63.616124	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M-3H"	-3.021828
"509954"	95.927824	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M-3H"	-3.021828
"885568"	31.304424	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-3H"	-3.021828
"862"	95.927824	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M-2H"	-2.014552
"442241"	144.395374	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M-2H"	-2.014552
"818593"	47.460274	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-2H"	-2.014552
"81507"	192.862924	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M-H"	-1.007276
"523252"	289.798024	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M-H"	-1.007276
"907631"	95.927824	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-H"	-1.007276
"59819"	209.889471	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M-2H+NH4"	16.019271
"501200"	306.824571	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M-2H+NH4"	16.019271
"876082"	112.954371	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-2H+NH4"	16.019271
"42888"	214.844866	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M-2H+Na"	20.974666
"485732"	311.779966	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M-2H+Na"	20.974666
"863532"	117.909766	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-2H+Na"	20.974666
"1633067"	117.909766	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Na-2H"	20.974666
"108500"	113.916163	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M-H+Cl"	33.962126
"544779"	162.383713	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M-H+Cl"	33.962126
"935013"	65.448613	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-H+Cl"	33.962126
"271380"	228.839602	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+Cl"	34.969402
"662711"	325.774702	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+Cl"	34.969402
"1276204"	131.904502	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Cl"	34.969402
"18765"	230.818806	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M-2H+K"	36.948606
"460512"	327.753906	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M-2H+K"	36.948606
"837219"	133.883706	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-2H+K"	36.948606
"1560709"	133.883706	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+K-2H"	36.948606
"958081"	141.933294	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-H+HCOOH"	44.998194
"375933"	238.868401	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+HCOOH-H"	44.998201
"359688"	252.884051	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+Hac-H"	59.013851
"1500622"	155.948951	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Hac-H"	59.013851
"969259"	163.915251	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-H+NaCOOH"	66.980151
"123643"	131.904502	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+2Cl"	69.938804
"563564"	180.372052	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+2Cl"	69.938804
"1033089"	83.436952	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2Cl"	69.938804
"1253763"	175.853985	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Br"	78.918885
"1318035"	177.909972	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Cl+HCOOH"	80.974872
"1334076"	199.891929	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Cl+NaCOOH"	102.956829
"921487"	209.920686	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M-H+CF3COOH"	112.985586
"1301843"	245.897364	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Cl+CF3COOH"	148.962264
"1375263"	61.922424	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H-2H2O"	-35.012676
"1390573"	79.9324	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H-H2O"	-17.0027
"287343"	194.877476	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+H"	1.007276
"680129"	291.812576	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+H"	1.007276
"1355747"	97.942376	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H"	1.007276
"138120"	97.942376	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+2H"	2.014552
"580232"	146.409926	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+2H"	2.014552
"1049031"	49.474826	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2H"	2.014552
"209275"	65.630676	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+3H"	3.021828
"649928"	97.942376	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+3H"	3.021828
"1168059"	33.318976	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+3H"	3.021828
"431330"	211.904023	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+NH4"	18.033823
"789044"	308.839123	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+NH4"	18.033823
"1686468"	114.968923	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+NH4"	18.033823
"333654"	106.4556495	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+H+NH4"	19.041099
"726081"	154.9231995	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+H+NH4"	19.041099
"1484277"	57.9880995	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H+NH4"	19.041099
"393963"	216.859418	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+Na"	22.989218
"757390"	313.794518	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+Na"	22.989218
"1602890"	119.924318	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Na"	22.989218
"315887"	108.933347	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+H+Na"	23.996494
"709039"	157.400897	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+H+Na"	23.996494
"1465046"	60.465797	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H+Na"	23.996494
"1053264"	40.64629	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2H+Na"	25.00377
"1262158"	129.968586	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+CH3OH+H"	33.033486
"380731"	232.833358	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+K"	38.963158
"741726"	329.768458	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+K"	38.963158
"1540494"	135.898258	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+K"	38.963158
"300950"	116.920317	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+H+K"	39.970434
"691788"	165.387867	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+H+K"	39.970434
"1445809"	68.452767	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H+K"	39.970434
"237006"	235.904026	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+ACN+H"	42.033826
"1210153"	138.968926	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+ACN+H"	42.033826
"1202239"	69.988101	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+ACN+2H"	43.041102
"189638"	238.84136	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+2Na-H"	44.97116
"629558"	335.77646	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+2Na-H"	44.97116
"1131971"	141.90626	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2Na-H"	44.97116
"173437"	119.924318	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+2Na"	45.978436
"621027"	168.391868	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+2Na"	45.978436
"1119065"	71.456768	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2Na"	45.978436
"1399672"	47.973604	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H+2Na"	46.985712
"1429888"	143.947846	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H+HCOOH"	47.012746
"220390"	124.95734	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+3H2O+2H"	56.04448
"1508491"	157.99989	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+IsoProp+H"	61.06479
"409231"	127.911288	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+Na+K"	61.952376
"770101"	176.378838	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+Na+K"	61.952376
"1666920"	79.443738	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Na+K"	61.952376
"251632"	257.885968	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+ACN+Na"	64.015768
"1225786"	160.950868	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+ACN+Na"	64.015768
"1713336"	160.974393	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+NH4+HCOOH"	64.039293
"1178721"	55.300918	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+3Na"	68.967654
"1649906"	165.929788	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Na+HCOOH"	68.994688
"158238"	270.78924	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+2K-H"	76.91904
"597175"	367.72434	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+2K-H"	76.91904
"1084256"	173.85414	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2K-H"	76.91904
"141491"	135.898258	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"2M+2K"	77.926316
"581404"	184.365808	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"3M+2K"	77.926316
"1084134"	87.430708	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2K"	77.926316
"1115152"	175.868692	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2K+H"	78.933592
"1349836"	175.956307	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+DMSO+H"	79.021207
"1021253"	179.995476	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2ACN+H"	83.060376
"1539609"	180.989108	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+IsoProp+Na+H"	84.054008
"1003780"	90.501376	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+2ACN+2H"	84.067652
"1596094"	181.903728	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+K+HCOOH"	84.968628
"1421754"	211.935238	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+H+CF3COOH"	115.000138
"1162760"	111.014651	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+3ACN+2H"	125.094202
"1712415"	228.961785	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+NH4+CF3COOH"	132.026685
"1642715"	233.91718	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+Na+CF3COOH"	136.98208
"1575085"	249.89112	"C18712"	"Copper hydroxide"	"Cu(OH)2"	"96.9351"	"M+K+CF3COOH"	152.95602
"805452"	158.8813	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M"	0
"975702"	139.86291	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-H2O-H"	-19.01839
"63048"	104.913590666667	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M-3H"	-3.021828
"508971"	157.874024	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M-3H"	-3.021828
"886772"	51.9531573333333	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-3H"	-3.021828
"967"	157.874024	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M-2H"	-2.014552
"441015"	237.314674	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M-2H"	-2.014552
"817092"	78.433374	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-2H"	-2.014552
"80887"	316.755324	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M-H"	-1.007276
"522268"	475.636624	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M-H"	-1.007276
"907380"	157.874024	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-H"	-1.007276
"58835"	333.781871	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M-2H+NH4"	16.019271
"499852"	492.663171	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M-2H+NH4"	16.019271
"878747"	174.900571	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-2H+NH4"	16.019271
"39718"	338.737266	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M-2H+Na"	20.974666
"482557"	497.618566	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M-2H+Na"	20.974666
"862187"	179.855966	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-2H+Na"	20.974666
"1630990"	179.855966	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Na-2H"	20.974666
"107517"	175.862363	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M-H+Cl"	33.962126
"543796"	255.303013	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M-H+Cl"	33.962126
"935123"	96.421713	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-H+Cl"	33.962126
"271490"	352.732002	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+Cl"	34.969402
"663911"	511.613302	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+Cl"	34.969402
"1274248"	193.850702	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Cl"	34.969402
"18875"	354.711206	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M-2H+K"	36.948606
"461715"	513.592506	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M-2H+K"	36.948606
"836236"	195.829906	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-2H+K"	36.948606
"1560819"	195.829906	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+K-2H"	36.948606
"957586"	203.879494	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-H+HCOOH"	44.998194
"375920"	362.760801	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+HCOOH-H"	44.998201
"360532"	376.776451	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+Hac-H"	59.013851
"1506199"	217.895151	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Hac-H"	59.013851
"969369"	225.861451	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-H+NaCOOH"	66.980151
"124485"	193.850702	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+2Cl"	69.938804
"565586"	273.291352	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+2Cl"	69.938804
"1036366"	114.410052	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2Cl"	69.938804
"1256430"	237.800185	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Br"	78.918885
"1318145"	239.856172	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Cl+HCOOH"	80.974872
"1333092"	261.838129	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Cl+NaCOOH"	102.956829
"919409"	271.866886	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M-H+CF3COOH"	112.985586
"1303698"	307.843564	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Cl+CF3COOH"	148.962264
"1376466"	123.868624	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H-2H2O"	-35.012676
"1390683"	141.8786	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H-H2O"	-17.0027
"285996"	318.769876	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+H"	1.007276
"680604"	477.651176	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+H"	1.007276
"1353671"	159.888576	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H"	1.007276
"136407"	159.888576	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+2H"	2.014552
"576331"	239.329226	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+2H"	2.014552
"1046589"	80.447926	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2H"	2.014552
"207562"	106.928142666667	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+3H"	3.021828
"650038"	159.888576	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+3H"	3.021828
"1170356"	53.9677093333333	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+3H"	3.021828
"424999"	335.796423	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+NH4"	18.033823
"788060"	494.677723	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+NH4"	18.033823
"1681472"	176.915123	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+NH4"	18.033823
"331206"	168.4018495	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+H+NH4"	19.041099
"723026"	247.8424995	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+H+NH4"	19.041099
"1484387"	88.9611995	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H+NH4"	19.041099
"397601"	340.751818	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+Na"	22.989218
"756409"	499.633118	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+Na"	22.989218
"1603777"	181.870518	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Na"	22.989218
"315998"	170.879547	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+H+Na"	23.996494
"709149"	250.320197	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+H+Na"	23.996494
"1466249"	91.438897	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H+Na"	23.996494
"1053049"	61.2950233333333	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2H+Na"	25.00377
"1261175"	191.914786	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+CH3OH+H"	33.033486
"380112"	356.725758	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+K"	38.963158
"741107"	515.607058	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+K"	38.963158
"1540043"	197.844458	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+K"	38.963158
"298867"	178.866517	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+H+K"	39.970434
"691894"	258.307167	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+H+K"	39.970434
"1445835"	99.425867	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H+K"	39.970434
"236021"	359.796426	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+ACN+H"	42.033826
"1211278"	200.915126	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+ACN+H"	42.033826
"1194671"	100.961201	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+ACN+2H"	43.041102
"190112"	362.73376	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+2Na-H"	44.97116
"629057"	521.61506	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+2Na-H"	44.97116
"1131878"	203.85246	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2Na-H"	44.97116
"173788"	181.870518	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+2Na"	45.978436
"618950"	261.311168	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+2Na"	45.978436
"1118443"	102.429868	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2Na"	45.978436
"1400510"	68.6223373333333	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H+2Na"	46.985712
"1429978"	205.894046	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H+HCOOH"	47.012746
"220455"	186.90354	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+3H2O+2H"	56.04448
"1509166"	219.94609	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+IsoProp+H"	61.06479
"409340"	189.857488	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+Na+K"	61.952376
"770819"	269.298138	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+Na+K"	61.952376
"1665893"	110.416838	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Na+K"	61.952376
"252093"	381.778368	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+ACN+Na"	64.015768
"1225647"	222.897068	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+ACN+Na"	64.015768
"1713688"	222.920593	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+NH4+HCOOH"	64.039293
"1178828"	75.9496513333333	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+3Na"	68.967654
"1650058"	227.875988	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Na+HCOOH"	68.994688
"157533"	394.68164	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+2K-H"	76.91904
"597378"	553.56294	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+2K-H"	76.91904
"1084517"	235.80034	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2K-H"	76.91904
"141817"	197.844458	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"2M+2K"	77.926316
"581902"	277.285108	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"3M+2K"	77.926316
"1082419"	118.403808	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2K"	77.926316
"1115548"	237.814892	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2K+H"	78.933592
"1350068"	237.902507	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+DMSO+H"	79.021207
"1020898"	241.941676	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2ACN+H"	83.060376
"1537441"	242.935308	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+IsoProp+Na+H"	84.054008
"1003526"	121.474476	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+2ACN+2H"	84.067652
"1592924"	243.849928	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+K+HCOOH"	84.968628
"1421864"	273.881438	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+H+CF3COOH"	115.000138
"1162647"	141.987751	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+3ACN+2H"	125.094202
"1712282"	290.907985	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+NH4+CF3COOH"	132.026685
"1642825"	295.86338	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+Na+CF3COOH"	136.98208
"1575195"	311.83732	"C18713"	"Copper sulfate;Copper(II) sulfate"	"CuSO4"	"158.8813"	"M+K+CF3COOH"	152.95602
"808842"	141.8541	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M"	0
"976905"	122.83571	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-H2O-H"	-19.01839
"65148"	93.562124	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M-3H"	-3.021828
"511267"	140.846824	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M-3H"	-3.021828
"889069"	46.277424	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-3H"	-3.021828
"1812"	140.846824	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M-2H"	-2.014552
"445018"	211.773874	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M-2H"	-2.014552
"818448"	69.919774	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-2H"	-2.014552
"82090"	282.700924	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M-H"	-1.007276
"522011"	424.555024	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M-H"	-1.007276
"907122"	140.846824	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-H"	-1.007276
"58946"	299.727471	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M-2H+NH4"	16.019271
"498872"	441.581571	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M-2H+NH4"	16.019271
"876795"	157.873371	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-2H+NH4"	16.019271
"42015"	304.682866	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M-2H+Na"	20.974666
"481574"	446.536966	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M-2H+Na"	20.974666
"853908"	162.828766	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-2H+Na"	20.974666
"1631829"	162.828766	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Na-2H"	20.974666
"107627"	158.835163	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M-H+Cl"	33.962126
"544999"	229.762213	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M-H+Cl"	33.962126
"933046"	87.908113	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-H+Cl"	33.962126
"268320"	318.677602	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+Cl"	34.969402
"661835"	460.531702	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+Cl"	34.969402
"1274600"	176.823502	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Cl"	34.969402
"17892"	320.656806	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M-2H+K"	36.948606
"458546"	462.510906	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M-2H+K"	36.948606
"835253"	178.802706	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-2H+K"	36.948606
"1559836"	178.802706	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+K-2H"	36.948606
"957938"	186.852294	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-H+HCOOH"	44.998194
"374331"	328.706401	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+HCOOH-H"	44.998201
"358577"	342.722051	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+Hac-H"	59.013851
"1506189"	200.867951	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Hac-H"	59.013851
"970573"	208.834251	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-H+NaCOOH"	66.980151
"124722"	176.823502	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+2Cl"	69.938804
"565250"	247.750552	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+2Cl"	69.938804
"1035867"	105.896452	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2Cl"	69.938804
"1255692"	220.772985	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Br"	78.918885
"1318256"	222.828972	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Cl+HCOOH"	80.974872
"1328458"	244.810929	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Cl+NaCOOH"	102.956829
"919519"	254.839686	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M-H+CF3COOH"	112.985586
"1295132"	290.816364	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Cl+CF3COOH"	148.962264
"1379129"	106.841424	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H-2H2O"	-35.012676
"1392979"	124.8514	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H-H2O"	-17.0027
"287199"	284.715476	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+H"	1.007276
"679621"	426.569576	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+H"	1.007276
"1354146"	142.861376	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H"	1.007276
"136517"	142.861376	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+2H"	2.014552
"576077"	213.788426	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+2H"	2.014552
"1046335"	71.934326	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2H"	2.014552
"207672"	95.576676	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+3H"	3.021828
"650148"	142.861376	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+3H"	3.021828
"1168278"	48.291976	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+3H"	3.021828
"425595"	301.742023	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+NH4"	18.033823
"786830"	443.596123	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+NH4"	18.033823
"1683041"	159.887923	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+NH4"	18.033823
"332042"	151.3746495	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+H+NH4"	19.041099
"724099"	222.3016995	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+H+NH4"	19.041099
"1484497"	80.4475995	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H+NH4"	19.041099
"398804"	306.697418	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+Na"	22.989218
"757976"	448.551518	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+Na"	22.989218
"1606802"	164.843318	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Na"	22.989218
"317931"	153.852347	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+H+Na"	23.996494
"709257"	224.779397	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+H+Na"	23.996494
"1467452"	82.925297	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H+Na"	23.996494
"1053402"	55.61929	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2H+Na"	25.00377
"1261285"	174.887586	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+CH3OH+H"	33.033486
"383138"	322.671358	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+K"	38.963158
"741215"	464.525458	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+K"	38.963158
"1542537"	180.817258	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+K"	38.963158
"298856"	161.839317	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+H+K"	39.970434
"692492"	232.766367	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+H+K"	39.970434
"1446192"	90.912267	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H+K"	39.970434
"236376"	325.742026	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+ACN+H"	42.033826
"1211269"	183.887926	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+ACN+H"	42.033826
"1195516"	92.447601	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+ACN+2H"	43.041102
"191680"	328.67936	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+2Na-H"	44.97116
"630139"	470.53346	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+2Na-H"	44.97116
"1133283"	186.82526	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2Na-H"	44.97116
"174749"	164.843318	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+2Na"	45.978436
"615780"	235.770368	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+2Na"	45.978436
"1119649"	93.916268	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2Na"	45.978436
"1403172"	62.946604	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H+2Na"	46.985712
"1430917"	188.866846	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H+HCOOH"	47.012746
"220849"	169.87634	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+3H2O+2H"	56.04448
"1509761"	202.91889	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+IsoProp+H"	61.06479
"409207"	172.830288	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+Na+K"	61.952376
"770929"	243.757338	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+Na+K"	61.952376
"1666895"	101.903238	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Na+K"	61.952376
"252080"	347.723968	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+ACN+Na"	64.015768
"1226610"	205.869868	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+ACN+Na"	64.015768
"1713915"	205.893393	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+NH4+HCOOH"	64.039293
"1179138"	70.273918	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+3Na"	68.967654
"1650254"	210.848788	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Na+HCOOH"	68.994688
"157727"	360.62724	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+2K-H"	76.91904
"597284"	502.48134	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+2K-H"	76.91904
"1085076"	218.77314	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2K-H"	76.91904
"142255"	180.817258	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"2M+2K"	77.926316
"582058"	251.744308	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"3M+2K"	77.926316
"1081314"	109.890208	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2K"	77.926316
"1113904"	220.787692	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2K+H"	78.933592
"1348357"	220.875307	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+DMSO+H"	79.021207
"1020528"	224.914476	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2ACN+H"	83.060376
"1538523"	225.908108	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+IsoProp+Na+H"	84.054008
"1002904"	112.960876	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+2ACN+2H"	84.067652
"1594126"	226.822728	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+K+HCOOH"	84.968628
"1424158"	256.854238	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+H+CF3COOH"	115.000138
"1153355"	133.474151	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+3ACN+2H"	125.094202
"1712391"	273.880785	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+NH4+CF3COOH"	132.026685
"1642935"	278.83618	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+Na+CF3COOH"	136.98208
"1575305"	294.81012	"C18714"	"Cuprous oxide;Copper (I) oxide"	"Cu2O"	"141.8541"	"M+K+CF3COOH"	152.95602
"812234"	415.0742	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M"	0
"981392"	396.05581	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H2O-H"	-19.01839
"71820"	275.708857333333	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-3H"	-3.021828
"512474"	414.066924	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-3H"	-3.021828
"890275"	137.350790666667	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-3H"	-3.021828
"1561"	414.066924	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H"	-2.014552
"444037"	621.604024	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H"	-2.014552
"820018"	206.529824	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H"	-2.014552
"88399"	829.141124	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-H"	-1.007276
"523584"	1244.215324	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-H"	-1.007276
"909776"	414.066924	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H"	-1.007276
"58695"	846.167671	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H+NH4"	16.019271
"499588"	1261.241871	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H+NH4"	16.019271
"877511"	431.093471	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H+NH4"	16.019271
"45406"	851.123066	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H+Na"	20.974666
"483872"	1266.197266	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H+Na"	20.974666
"860578"	436.048866	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H+Na"	20.974666
"1629022"	436.048866	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na-2H"	20.974666
"100081"	432.055263	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-H+Cl"	33.962126
"537454"	639.592363	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-H+Cl"	33.962126
"932061"	224.518163	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+Cl"	33.962126
"268914"	865.117802	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Cl"	34.969402
"664130"	1280.192002	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+Cl"	34.969402
"1277628"	450.043602	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl"	34.969402
"21283"	867.097006	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M-2H+K"	36.948606
"458656"	1282.171206	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M-2H+K"	36.948606
"838645"	452.022806	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-2H+K"	36.948606
"1567601"	452.022806	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K-2H"	36.948606
"958289"	460.072394	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+HCOOH"	44.998194
"375785"	875.146601	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+HCOOH-H"	44.998201
"360270"	889.162251	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Hac-H"	59.013851
"1506788"	474.088051	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Hac-H"	59.013851
"969590"	482.054351	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+NaCOOH"	66.980151
"125315"	450.043602	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2Cl"	69.938804
"565410"	657.580702	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2Cl"	69.938804
"1037018"	242.506502	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2Cl"	69.938804
"1255919"	493.993085	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Br"	78.918885
"1314353"	496.049072	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl+HCOOH"	80.974872
"1327476"	518.031029	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl+NaCOOH"	102.956829
"922182"	528.059786	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M-H+CF3COOH"	112.985586
"1297431"	564.036464	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Cl+CF3COOH"	148.962264
"1377052"	380.061524	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H-2H2O"	-35.012676
"1389809"	398.0715	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H-H2O"	-17.0027
"286580"	831.155676	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H"	1.007276
"678638"	1246.229876	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H"	1.007276
"1360455"	416.081476	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H"	1.007276
"136628"	416.081476	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2H"	2.014552
"574729"	623.618576	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2H"	2.014552
"1046809"	208.544376	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2H"	2.014552
"209605"	277.723409333333	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+3H"	3.021828
"650258"	416.081476	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+3H"	3.021828
"1167294"	139.365342666667	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+3H"	3.021828
"426192"	848.182223	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+NH4"	18.033823
"786455"	1263.256423	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+NH4"	18.033823
"1682418"	433.108023	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+NH4"	18.033823
"331788"	424.5947495	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H+NH4"	19.041099
"723360"	632.1318495	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H+NH4"	19.041099
"1487888"	217.0576495	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+NH4"	19.041099
"398915"	853.137618	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Na"	22.989218
"761003"	1268.211818	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+Na"	22.989218
"1611287"	438.063418	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na"	22.989218
"320230"	427.072447	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H+Na"	23.996494
"710462"	634.609547	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H+Na"	23.996494
"1466470"	219.535347	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+Na"	23.996494
"1054247"	146.692656666667	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2H+Na"	25.00377
"1259208"	448.107686	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+CH3OH+H"	33.033486
"379604"	869.111558	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+K"	38.963158
"740961"	1284.185758	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+K"	38.963158
"1543743"	454.037358	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K"	38.963158
"299822"	435.059417	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+H+K"	39.970434
"694428"	642.596517	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+H+K"	39.970434
"1447156"	227.522317	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+K"	39.970434
"236365"	872.182226	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+ACN+H"	42.033826
"1212842"	457.108026	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+ACN+H"	42.033826
"1196361"	229.057651	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+ACN+2H"	43.041102
"191792"	875.11956	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2Na-H"	44.97116
"629283"	1290.19376	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2Na-H"	44.97116
"1133397"	460.04536	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2Na-H"	44.97116
"174372"	438.063418	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2Na"	45.978436
"616254"	645.600518	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2Na"	45.978436
"1121583"	230.526318	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2Na"	45.978436
"1402919"	154.019970666667	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+2Na"	46.985712
"1436133"	462.086946	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+HCOOH"	47.012746
"222182"	443.09644	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+3H2O+2H"	56.04448
"1509385"	476.13899	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+IsoProp+H"	61.06479
"408957"	446.050388	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+Na+K"	61.952376
"772387"	653.587488	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+Na+K"	61.952376
"1665794"	238.513288	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na+K"	61.952376
"251706"	894.164168	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+ACN+Na"	64.015768
"1227580"	479.089968	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+ACN+Na"	64.015768
"1713791"	479.113493	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+NH4+HCOOH"	64.039293
"1180118"	161.347284666667	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+3Na"	68.967654
"1651953"	484.068888	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na+HCOOH"	68.994688
"157478"	907.06744	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2K-H"	76.91904
"598131"	1322.14164	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2K-H"	76.91904
"1084463"	491.99324	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2K-H"	76.91904
"141459"	454.037358	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"2M+2K"	77.926316
"581446"	661.574458	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"3M+2K"	77.926316
"1082150"	246.500258	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2K"	77.926316
"1115230"	494.007792	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2K+H"	78.933592
"1345536"	494.095407	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+DMSO+H"	79.021207
"1014065"	498.134576	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2ACN+H"	83.060376
"1530004"	499.128208	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+IsoProp+Na+H"	84.054008
"1000827"	249.570926	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+2ACN+2H"	84.067652
"1592049"	500.042828	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K+HCOOH"	84.968628
"1422081"	530.074338	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+H+CF3COOH"	115.000138
"1154555"	270.084201	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+3ACN+2H"	125.094202
"1712016"	547.100885	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+NH4+CF3COOH"	132.026685
"1643045"	552.05628	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+Na+CF3COOH"	136.98208
"1575415"	568.03022	"C18715"	"alpha-Cypermethrin;Alphamethrin"	"C22H19Cl2NO3"	"415.0742"	"M+K+CF3COOH"	152.95602
"805781"	326.0113	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M"	0
"976033"	306.99291	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-H2O-H"	-19.01839
"64275"	216.333590666667	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M-3H"	-3.021828
"510395"	325.004024	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M-3H"	-3.021828
"884915"	107.663157333333	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-3H"	-3.021828
"695"	325.004024	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M-2H"	-2.014552
"440256"	488.009674	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M-2H"	-2.014552
"817327"	161.998374	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-2H"	-2.014552
"81582"	651.015324	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M-H"	-1.007276
"521505"	977.026624	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M-H"	-1.007276
"905876"	325.004024	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-H"	-1.007276
"59893"	668.041871	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M-2H+NH4"	16.019271
"499819"	994.053171	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M-2H+NH4"	16.019271
"874338"	342.030571	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-2H+NH4"	16.019271
"41142"	672.997266	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M-2H+Na"	20.974666
"481794"	999.008566	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M-2H+Na"	20.974666
"857408"	346.985966	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-2H+Na"	20.974666
"1628039"	346.985966	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Na-2H"	20.974666
"99098"	342.992363	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M-H+Cl"	33.962126
"537563"	505.998013	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M-H+Cl"	33.962126
"928644"	179.986713	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-H+Cl"	33.962126
"268902"	686.992002	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+Cl"	34.969402
"661564"	1013.003302	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+Cl"	34.969402
"1275551"	360.980702	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Cl"	34.969402
"21393"	688.971206	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M-2H+K"	36.948606
"458766"	1014.982506	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M-2H+K"	36.948606
"838755"	362.959906	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-2H+K"	36.948606
"1567711"	362.959906	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+K-2H"	36.948606
"957793"	371.009494	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-H+HCOOH"	44.998194
"376007"	697.020801	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+HCOOH-H"	44.998201
"360745"	711.036451	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+Hac-H"	59.013851
"1506898"	385.025151	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Hac-H"	59.013851
"969699"	392.991451	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-H+NaCOOH"	66.980151
"122621"	360.980702	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+2Cl"	69.938804
"564952"	523.986352	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+2Cl"	69.938804
"1036863"	197.975052	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2Cl"	69.938804
"1255664"	404.930185	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Br"	78.918885
"1314828"	406.986172	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Cl+HCOOH"	80.974872
"1328678"	428.968129	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Cl+NaCOOH"	102.956829
"923020"	438.996886	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M-H+CF3COOH"	112.985586
"1300824"	474.973564	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Cl+CF3COOH"	148.962264
"1374610"	290.998624	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H-2H2O"	-35.012676
"1387733"	309.0086	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H-H2O"	-17.0027
"286326"	653.029876	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+H"	1.007276
"678748"	979.041176	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+H"	1.007276
"1358377"	327.018576	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H"	1.007276
"136009"	327.018576	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+2H"	2.014552
"576661"	490.024226	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+2H"	2.014552
"1046919"	164.012926	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2H"	2.014552
"209715"	218.348142666667	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+3H"	3.021828
"650368"	327.018576	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+3H"	3.021828
"1167404"	109.677709333333	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+3H"	3.021828
"428489"	670.056423	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+NH4"	18.033823
"786566"	996.067723	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+NH4"	18.033823
"1682531"	344.045123	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+NH4"	18.033823
"330161"	335.5318495	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+H+NH4"	19.041099
"724324"	498.5374995	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+H+NH4"	19.041099
"1487998"	172.5261995	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H+NH4"	19.041099
"397932"	675.011818	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+Na"	22.989218
"761113"	1001.023118	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+Na"	22.989218
"1611397"	349.000518	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Na"	22.989218
"320340"	338.009547	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+H+Na"	23.996494
"709114"	501.015197	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+H+Na"	23.996494
"1466580"	175.003897	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H+Na"	23.996494
"1053747"	117.005023333333	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2H+Na"	25.00377
"1259318"	359.044786	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+CH3OH+H"	33.033486
"379714"	690.985758	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+K"	38.963158
"740343"	1016.997058	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+K"	38.963158
"1542394"	364.974458	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+K"	38.963158
"300296"	345.996517	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+H+K"	39.970434
"693812"	509.002167	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+H+K"	39.970434
"1448361"	182.990867	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H+K"	39.970434
"239517"	694.056426	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+ACN+H"	42.033826
"1218785"	368.045126	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+ACN+H"	42.033826
"1202669"	184.526201	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+ACN+2H"	43.041102
"189595"	696.99376	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+2Na-H"	44.97116
"630734"	1023.00506	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+2Na-H"	44.97116
"1133512"	370.98246	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2Na-H"	44.97116
"173633"	349.000518	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+2Na"	45.978436
"613324"	512.006168	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+2Na"	45.978436
"1116223"	185.994868	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2Na"	45.978436
"1404124"	124.332337333333	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H+2Na"	46.985712
"1430652"	373.024046	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H+HCOOH"	47.012746
"222656"	354.03354	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+3H2O+2H"	56.04448
"1508765"	387.07609	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+IsoProp+H"	61.06479
"409310"	356.987488	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+Na+K"	61.952376
"771766"	519.993138	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+Na+K"	61.952376
"1665622"	193.981838	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Na+K"	61.952376
"251555"	716.038368	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+ACN+Na"	64.015768
"1227323"	390.027068	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+ACN+Na"	64.015768
"1715117"	390.050593	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+NH4+HCOOH"	64.039293
"1181564"	131.659651333333	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+3Na"	68.967654
"1652185"	395.005988	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Na+HCOOH"	68.994688
"158685"	728.94164	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+2K-H"	76.91904
"597634"	1054.95294	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+2K-H"	76.91904
"1084289"	402.93034	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2K-H"	76.91904
"141462"	364.974458	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"2M+2K"	77.926316
"582412"	527.980108	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"3M+2K"	77.926316
"1083352"	201.968808	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2K"	77.926316
"1114853"	404.944892	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2K+H"	78.933592
"1342366"	405.032507	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+DMSO+H"	79.021207
"1010895"	409.071676	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2ACN+H"	83.060376
"1531206"	410.065308	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+IsoProp+Na+H"	84.054008
"1000937"	205.039476	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+2ACN+2H"	84.067652
"1592159"	410.979928	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+K+HCOOH"	84.968628
"1421098"	441.011438	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+H+CF3COOH"	115.000138
"1152478"	225.552751	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+3ACN+2H"	125.094202
"1703129"	458.037985	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+NH4+CF3COOH"	132.026685
"1643155"	462.99338	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+Na+CF3COOH"	136.98208
"1575525"	478.96732	"C18716"	"Diclofop"	"C15H12Cl2O4"	"326.0113"	"M+K+CF3COOH"	152.95602
"805891"	249.1392	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M"	0
"974603"	230.12081	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-H2O-H"	-19.01839
"63163"	165.085524	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M-3H"	-3.021828
"510505"	248.131924	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M-3H"	-3.021828
"885025"	82.039124	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-3H"	-3.021828
"1048"	248.131924	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M-2H"	-2.014552
"440976"	372.701524	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M-2H"	-2.014552
"818050"	123.562324	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-2H"	-2.014552
"83150"	497.271124	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M-H"	-1.007276
"521615"	746.410324	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M-H"	-1.007276
"903798"	248.131924	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-H"	-1.007276
"55992"	514.297671	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M-2H+NH4"	16.019271
"498834"	763.436871	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M-2H+NH4"	16.019271
"874448"	265.158471	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-2H+NH4"	16.019271
"41251"	519.253066	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M-2H+Na"	20.974666
"473157"	768.392266	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M-2H+Na"	20.974666
"857518"	270.113866	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-2H+Na"	20.974666
"1625962"	270.113866	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Na-2H"	20.974666
"97021"	266.120263	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M-H+Cl"	33.962126
"536579"	390.689863	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M-H+Cl"	33.962126
"927416"	141.550663	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-H+Cl"	33.962126
"268039"	533.247802	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+Cl"	34.969402
"660824"	782.387002	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+Cl"	34.969402
"1273472"	284.108602	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Cl"	34.969402
"21503"	535.227006	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M-2H+K"	36.948606
"457782"	784.366206	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M-2H+K"	36.948606
"835585"	286.087806	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-2H+K"	36.948606
"1564541"	286.087806	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+K-2H"	36.948606
"958067"	294.137394	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-H+HCOOH"	44.998194
"376845"	543.276601	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+HCOOH-H"	44.998201
"361092"	557.292251	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+Hac-H"	59.013851
"1507009"	308.153051	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Hac-H"	59.013851
"966529"	316.119351	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-H+NaCOOH"	66.980151
"121639"	284.108602	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+2Cl"	69.938804
"564728"	408.678202	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+2Cl"	69.938804
"1036564"	159.539002	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2Cl"	69.938804
"1254317"	328.058085	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Br"	78.918885
"1313479"	330.114072	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Cl+HCOOH"	80.974872
"1328788"	352.096029	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Cl+NaCOOH"	102.956829
"915111"	362.124786	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M-H+CF3COOH"	112.985586
"1292185"	398.101464	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Cl+CF3COOH"	148.962264
"1370346"	214.126524	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H-2H2O"	-35.012676
"1383466"	232.1365	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H-H2O"	-17.0027
"286435"	499.285676	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+H"	1.007276
"678857"	748.424876	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+H"	1.007276
"1355207"	250.146476	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H"	1.007276
"130285"	250.146476	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+2H"	2.014552
"573491"	374.716076	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+2H"	2.014552
"1043018"	125.576876	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2H"	2.014552
"213105"	167.100076	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+3H"	3.021828
"647198"	250.146476	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+3H"	3.021828
"1164234"	84.053676	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+3H"	3.021828
"424310"	516.312223	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+NH4"	18.033823
"785946"	765.451423	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+NH4"	18.033823
"1684464"	267.173023	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+NH4"	18.033823
"330920"	258.6597495	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+H+NH4"	19.041099
"725527"	383.2293495	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+H+NH4"	19.041099
"1485922"	134.0901495	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H+NH4"	19.041099
"396948"	521.267618	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+Na"	22.989218
"758307"	770.406818	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+Na"	22.989218
"1606040"	272.128418	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Na"	22.989218
"317170"	261.137447	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+H+Na"	23.996494
"708008"	385.707047	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+H+Na"	23.996494
"1462435"	136.567847	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H+Na"	23.996494
"1052793"	91.38099	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2H+Na"	25.00377
"1257083"	282.172686	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+CH3OH+H"	33.033486
"377391"	537.241558	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+K"	38.963158
"739356"	786.380758	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+K"	38.963158
"1541772"	288.102358	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+K"	38.963158
"300770"	269.124417	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+H+K"	39.970434
"693191"	393.694017	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+H+K"	39.970434
"1445913"	144.554817	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H+K"	39.970434
"236704"	540.312226	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+ACN+H"	42.033826
"1210870"	291.173026	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+ACN+H"	42.033826
"1195485"	146.090151	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+ACN+2H"	43.041102
"191284"	543.24956	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+2Na-H"	44.97116
"630842"	792.38876	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+2Na-H"	44.97116
"1133618"	294.11036	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2Na-H"	44.97116
"173867"	272.128418	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+2Na"	45.978436
"613148"	396.698018	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+2Na"	45.978436
"1116045"	147.558818	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2Na"	45.978436
"1399251"	98.708304	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H+2Na"	46.985712
"1430884"	296.151946	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H+HCOOH"	47.012746
"221065"	277.16144	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+3H2O+2H"	56.04448
"1509725"	310.20399	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+IsoProp+H"	61.06479
"408813"	280.115388	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+Na+K"	61.952376
"771148"	404.684988	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+Na+K"	61.952376
"1665842"	155.545788	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Na+K"	61.952376
"251685"	562.294168	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+ACN+Na"	64.015768
"1227433"	313.154968	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+ACN+Na"	64.015768
"1714133"	313.178493	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+NH4+HCOOH"	64.039293
"1179487"	106.035618	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+3Na"	68.967654
"1654484"	318.133888	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Na+HCOOH"	68.994688
"158795"	575.19744	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+2K-H"	76.91904
"597745"	824.33664	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+2K-H"	76.91904
"1084686"	326.05824	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2K-H"	76.91904
"142474"	288.102358	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"2M+2K"	77.926316
"582278"	412.671958	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"3M+2K"	77.926316
"1083946"	163.532758	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2K"	77.926316
"1115084"	328.072792	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2K+H"	78.933592
"1342476"	328.160407	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+DMSO+H"	79.021207
"1011005"	332.199576	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2ACN+H"	83.060376
"1529130"	333.193208	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+IsoProp+Na+H"	84.054008
"995580"	166.603426	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+2ACN+2H"	84.067652
"1592268"	334.107828	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+K+HCOOH"	84.968628
"1417927"	364.139338	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+H+CF3COOH"	115.000138
"1151494"	187.116701	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+3ACN+2H"	125.094202
"1701050"	381.165885	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+NH4+CF3COOH"	132.026685
"1643265"	386.12128	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+Na+CF3COOH"	136.98208
"1575635"	402.09522	"C18717"	"Difenzoquat"	"C17H17N2"	"249.1392"	"M+K+CF3COOH"	152.95602
"806001"	255.1026	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M"	0
"974550"	236.08421	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-H2O-H"	-19.01839
"64494"	169.061124	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M-3H"	-3.021828
"510615"	254.095324	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M-3H"	-3.021828
"884042"	84.026924	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-3H"	-3.021828
"1160"	254.095324	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M-2H"	-2.014552
"442179"	381.646624	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M-2H"	-2.014552
"819253"	126.544024	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-2H"	-2.014552
"83260"	509.197924	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M-H"	-1.007276
"522818"	764.300524	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M-H"	-1.007276
"903908"	254.095324	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-H"	-1.007276
"53915"	526.224471	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M-2H+NH4"	16.019271
"495663"	781.327071	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M-2H+NH4"	16.019271
"872369"	271.121871	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-2H+NH4"	16.019271
"39174"	531.179866	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M-2H+Na"	20.974666
"479826"	786.282466	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M-2H+Na"	20.974666
"854348"	276.077266	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-2H+Na"	20.974666
"1623885"	276.077266	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Na-2H"	20.974666
"98225"	272.083663	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M-H+Cl"	33.962126
"534866"	399.634963	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M-H+Cl"	33.962126
"928015"	144.532363	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-H+Cl"	33.962126
"267210"	545.174602	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+Cl"	34.969402
"660325"	800.277202	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+Cl"	34.969402
"1272927"	290.072002	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Cl"	34.969402
"20520"	547.153806	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M-2H+K"	36.948606
"458985"	802.256406	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M-2H+K"	36.948606
"837881"	292.051206	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-2H+K"	36.948606
"1564651"	292.051206	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+K-2H"	36.948606
"957281"	300.100794	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-H+HCOOH"	44.998194
"376793"	555.203401	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+HCOOH-H"	44.998201
"357555"	569.219051	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+Hac-H"	59.013851
"1500189"	314.116451	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Hac-H"	59.013851
"966639"	322.082751	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-H+NaCOOH"	66.980151
"123206"	290.072002	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+2Cl"	69.938804
"561679"	417.623302	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+2Cl"	69.938804
"1035579"	162.520702	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2Cl"	69.938804
"1255156"	334.021485	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Br"	78.918885
"1314682"	336.077472	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Cl+HCOOH"	80.974872
"1328899"	358.059429	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Cl+NaCOOH"	102.956829
"914857"	368.088186	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M-H+CF3COOH"	112.985586
"1295574"	404.064864	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Cl+CF3COOH"	148.962264
"1370819"	220.089924	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H-2H2O"	-35.012676
"1383576"	238.0999	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H-H2O"	-17.0027
"285816"	511.212476	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+H"	1.007276
"677506"	766.315076	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+H"	1.007276
"1354222"	256.109876	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H"	1.007276
"130395"	256.109876	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+2H"	2.014552
"574329"	383.661176	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+2H"	2.014552
"1040941"	128.558576	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2H"	2.014552
"209935"	171.075676	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+3H"	3.021828
"648401"	256.109876	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+3H"	3.021828
"1164344"	86.041476	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+3H"	3.021828
"424819"	528.239023	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+NH4"	18.033823
"787516"	783.341623	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+NH4"	18.033823
"1684940"	273.136423	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+NH4"	18.033823
"331030"	264.6231495	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+H+NH4"	19.041099
"725637"	392.1744495	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+H+NH4"	19.041099
"1486032"	137.0718495	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H+NH4"	19.041099
"399245"	533.194418	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+Na"	22.989218
"760240"	788.297018	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+Na"	22.989218
"1604691"	278.091818	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Na"	22.989218
"317644"	267.100847	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+H+Na"	23.996494
"707875"	394.652147	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+H+Na"	23.996494
"1462060"	139.549547	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H+Na"	23.996494
"1053195"	93.36879	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2H+Na"	25.00377
"1257207"	288.136086	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+CH3OH+H"	33.033486
"379204"	549.168358	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+K"	38.963158
"740558"	804.270958	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+K"	38.963158
"1542248"	294.065758	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+K"	38.963158
"301974"	275.087817	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+H+K"	39.970434
"695124"	402.639117	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+H+K"	39.970434
"1446391"	147.536517	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H+K"	39.970434
"236814"	552.239026	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+ACN+H"	42.033826
"1211346"	297.136426	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+ACN+H"	42.033826
"1197421"	149.071851	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+ACN+2H"	43.041102
"191395"	555.17636	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+2Na-H"	44.97116
"629977"	810.27896	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+2Na-H"	44.97116
"1133363"	300.07376	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2Na-H"	44.97116
"173247"	278.091818	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+2Na"	45.978436
"613541"	405.643118	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+2Na"	45.978436
"1115832"	150.540518	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2Na"	45.978436
"1398953"	100.696104	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H+2Na"	46.985712
"1430628"	302.115346	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H+HCOOH"	47.012746
"220403"	283.12484	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+3H2O+2H"	56.04448
"1508540"	316.16739	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+IsoProp+H"	61.06479
"408649"	286.078788	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+Na+K"	61.952376
"770324"	413.630088	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+Na+K"	61.952376
"1665922"	158.527488	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Na+K"	61.952376
"252647"	574.220968	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+ACN+Na"	64.015768
"1226452"	319.118368	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+ACN+Na"	64.015768
"1717159"	319.141893	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+NH4+HCOOH"	64.039293
"1180327"	108.023418	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+3Na"	68.967654
"1654594"	324.097288	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Na+HCOOH"	68.994688
"160363"	587.12424	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+2K-H"	76.91904
"599193"	842.22684	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+2K-H"	76.91904
"1085162"	332.02164	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2K-H"	76.91904
"141570"	294.065758	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"2M+2K"	77.926316
"581441"	421.617058	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"3M+2K"	77.926316
"1083325"	166.514458	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2K"	77.926316
"1113129"	334.036192	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2K+H"	78.933592
"1342586"	334.123807	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+DMSO+H"	79.021207
"1011115"	338.162976	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2ACN+H"	83.060376
"1532518"	339.156608	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+IsoProp+Na+H"	84.054008
"998966"	169.585126	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+2ACN+2H"	84.067652
"1597843"	340.071228	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+K+HCOOH"	84.968628
"1416943"	370.102738	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+H+CF3COOH"	115.000138
"1150511"	190.098401	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+3ACN+2H"	125.094202
"1698974"	387.129285	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+NH4+CF3COOH"	132.026685
"1643375"	392.08468	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+Na+CF3COOH"	136.98208
"1575745"	408.05862	"C18718"	"Dimethachlor"	"C13H18ClNO2"	"255.1026"	"M+K+CF3COOH"	152.95602
"814859"	210.0021	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M"	0
"981832"	190.98371	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-H2O-H"	-19.01839
"66793"	138.994124	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M-3H"	-3.021828
"509633"	208.994824	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M-3H"	-3.021828
"890713"	68.993424	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-3H"	-3.021828
"4916"	208.994824	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M-2H"	-2.014552
"444476"	313.995874	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M-2H"	-2.014552
"819001"	103.993774	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-2H"	-2.014552
"84463"	418.996924	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M-H"	-1.007276
"520743"	628.999024	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M-H"	-1.007276
"905841"	208.994824	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-H"	-1.007276
"54025"	436.023471	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M-2H+NH4"	16.019271
"499054"	646.025571	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M-2H+NH4"	16.019271
"875031"	226.021371	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-2H+NH4"	16.019271
"41471"	440.978866	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M-2H+Na"	20.974666
"476656"	650.980966	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M-2H+Na"	20.974666
"851177"	230.976766	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-2H+Na"	20.974666
"1628368"	230.976766	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Na-2H"	20.974666
"97241"	226.983163	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M-H+Cl"	33.962126
"536799"	331.984213	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M-H+Cl"	33.962126
"927516"	121.982113	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-H+Cl"	33.962126
"268015"	454.973602	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+Cl"	34.969402
"662018"	664.975702	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+Cl"	34.969402
"1274788"	244.971502	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Cl"	34.969402
"22817"	456.952806	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M-2H+K"	36.948606
"462375"	666.954906	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M-2H+K"	36.948606
"836896"	246.950706	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-2H+K"	36.948606
"1570232"	246.950706	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+K-2H"	36.948606
"957755"	255.000294	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-H+HCOOH"	44.998194
"376578"	465.002401	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+HCOOH-H"	44.998201
"360583"	479.018051	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+Hac-H"	59.013851
"1507226"	269.015951	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Hac-H"	59.013851
"967838"	276.982251	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-H+NaCOOH"	66.980151
"122585"	244.971502	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+2Cl"	69.938804
"562508"	349.972552	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+2Cl"	69.938804
"1033868"	139.970452	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2Cl"	69.938804
"1254900"	288.920985	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Br"	78.918885
"1314792"	290.976972	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Cl+HCOOH"	80.974872
"1327915"	312.958929	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Cl+NaCOOH"	102.956829
"917883"	322.987686	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M-H+CF3COOH"	112.985586
"1296779"	358.964364	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Cl+CF3COOH"	148.962264
"1373846"	174.989424	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H-2H2O"	-35.012676
"1389153"	192.9994	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H-H2O"	-17.0027
"294311"	421.011476	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+H"	1.007276
"680171"	631.013576	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+H"	1.007276
"1355426"	211.009376	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H"	1.007276
"130504"	211.009376	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+2H"	2.014552
"578813"	316.010426	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+2H"	2.014552
"1048341"	106.008326	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2H"	2.014552
"217336"	141.008676	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+3H"	3.021828
"653979"	211.009376	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+3H"	3.021828
"1167734"	71.007976	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+3H"	3.021828
"425660"	438.038023	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+NH4"	18.033823
"788720"	648.040123	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+NH4"	18.033823
"1687237"	228.035923	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+NH4"	18.033823
"334421"	219.5226495	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+H+NH4"	19.041099
"726475"	324.5236995	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+H+NH4"	19.041099
"1487235"	114.5215995	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H+NH4"	19.041099
"401907"	442.993418	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+Na"	22.989218
"765818"	652.995518	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+Na"	22.989218
"1609542"	232.991318	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Na"	22.989218
"318119"	222.000347	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+H+Na"	23.996494
"708472"	327.001397	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+H+Na"	23.996494
"1467274"	116.999297	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H+Na"	23.996494
"1056874"	78.33529	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2H+Na"	25.00377
"1258188"	243.035586	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+CH3OH+H"	33.033486
"379316"	458.967358	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+K"	38.963158
"739945"	668.969458	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+K"	38.963158
"1542362"	248.965258	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+K"	38.963158
"301357"	229.987317	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+H+K"	39.970434
"693049"	334.988367	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+H+K"	39.970434
"1446505"	124.986267	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H+K"	39.970434
"236929"	462.038026	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+ACN+H"	42.033826
"1211459"	252.035926	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+ACN+H"	42.033826
"1197165"	126.521601	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+ACN+2H"	43.041102
"194785"	464.97536	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+2Na-H"	44.97116
"630452"	674.97746	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+2Na-H"	44.97116
"1134569"	254.97326	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2Na-H"	44.97116
"174210"	232.991318	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+2Na"	45.978436
"613042"	337.992368	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+2Na"	45.978436
"1118743"	127.990268	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2Na"	45.978436
"1403360"	85.662604	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H+2Na"	46.985712
"1435480"	257.014846	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H+HCOOH"	47.012746
"222989"	238.02434	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+3H2O+2H"	56.04448
"1512144"	271.06689	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+IsoProp+H"	61.06479
"410736"	240.978288	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+Na+K"	61.952376
"771735"	345.979338	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+Na+K"	61.952376
"1668064"	135.977238	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Na+K"	61.952376
"252397"	484.019968	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+ACN+Na"	64.015768
"1228384"	274.017868	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+ACN+Na"	64.015768
"1716178"	274.041393	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+NH4+HCOOH"	64.039293
"1181532"	92.989918	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+3Na"	68.967654
"1653608"	278.996788	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Na+HCOOH"	68.994688
"157676"	496.92324	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+2K-H"	76.91904
"600033"	706.92534	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+2K-H"	76.91904
"1086730"	286.92114	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2K-H"	76.91904
"142453"	248.965258	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"2M+2K"	77.926316
"583109"	353.966308	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"3M+2K"	77.926316
"1082583"	143.964208	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2K"	77.926316
"1112876"	288.935692	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2K+H"	78.933592
"1345976"	289.023307	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+DMSO+H"	79.021207
"1012318"	293.062476	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2ACN+H"	83.060376
"1532629"	294.056108	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+IsoProp+Na+H"	84.054008
"999076"	147.034876	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+2ACN+2H"	84.067652
"1597953"	294.970728	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+K+HCOOH"	84.968628
"1417053"	325.002238	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+H+CF3COOH"	115.000138
"1152809"	167.548151	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+3ACN+2H"	125.094202
"1706739"	342.028785	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+NH4+CF3COOH"	132.026685
"1643485"	346.98418	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+Na+CF3COOH"	136.98208
"1575855"	362.95812	"C18719"	"Dimethipin;23-dihydro-56-dimethyl-14-dithiine 1144-tetraoxide"	"C6H10O4S2"	"210.0021"	"M+K+CF3COOH"	152.95602
"806221"	325.0749	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M"	0
"975745"	306.05651	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-H2O-H"	-19.01839
"63744"	215.709324	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M-3H"	-3.021828
"507556"	324.067624	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M-3H"	-3.021828
"885355"	107.351024	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-3H"	-3.021828
"1745"	324.067624	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M-2H"	-2.014552
"443494"	486.605074	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M-2H"	-2.014552
"819112"	161.530174	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-2H"	-2.014552
"83480"	649.142524	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M-H"	-1.007276
"521217"	974.217424	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M-H"	-1.007276
"900848"	324.067624	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-H"	-1.007276
"50854"	666.169071	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M-2H+NH4"	16.019271
"490413"	991.243971	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M-2H+NH4"	16.019271
"873681"	341.094171	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-2H+NH4"	16.019271
"34047"	671.124466	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M-2H+Na"	20.974666
"473483"	996.199366	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M-2H+Na"	20.974666
"852379"	346.049566	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-2H+Na"	20.974666
"1625197"	346.049566	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Na-2H"	20.974666
"98442"	342.055963	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M-H+Cl"	33.962126
"536539"	504.593413	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M-H+Cl"	33.962126
"928959"	179.518513	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-H+Cl"	33.962126
"268609"	685.119202	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+Cl"	34.969402
"661394"	1010.194102	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+Cl"	34.969402
"1275623"	360.044302	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Cl"	34.969402
"24020"	687.098406	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M-2H+K"	36.948606
"462485"	1012.173306	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M-2H+K"	36.948606
"835547"	362.023506	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-2H+K"	36.948606
"1569246"	362.023506	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+K-2H"	36.948606
"956407"	370.073094	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-H+HCOOH"	44.998194
"376406"	695.148001	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+HCOOH-H"	44.998201
"356681"	709.163651	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+Hac-H"	59.013851
"1506242"	384.088751	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Hac-H"	59.013851
"964668"	392.055051	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-H+NaCOOH"	66.980151
"123060"	360.044302	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+2Cl"	69.938804
"561526"	522.581752	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+2Cl"	69.938804
"1033607"	197.506852	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2Cl"	69.938804
"1251360"	403.993785	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Br"	78.918885
"1312715"	406.049772	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Cl+HCOOH"	80.974872
"1326932"	428.031729	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Cl+NaCOOH"	102.956829
"921273"	438.060486	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M-H+CF3COOH"	112.985586
"1299076"	474.037164	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Cl+CF3COOH"	148.962264
"1375048"	290.062224	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H-2H2O"	-35.012676
"1391450"	308.0722	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H-H2O"	-17.0027
"292231"	651.157076	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+H"	1.007276
"680645"	976.231976	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+H"	1.007276
"1358815"	326.082176	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H"	1.007276
"130614"	326.082176	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+2H"	2.014552
"575643"	488.619626	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+2H"	2.014552
"1043346"	163.544726	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2H"	2.014552
"210155"	217.723876	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+3H"	3.021828
"648621"	326.082176	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+3H"	3.021828
"1167844"	109.365576	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+3H"	3.021828
"427833"	668.183623	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+NH4"	18.033823
"789922"	993.258523	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+NH4"	18.033823
"1686254"	343.108723	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+NH4"	18.033823
"331977"	334.5954495	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+H+NH4"	19.041099
"726220"	497.1328995	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+H+NH4"	19.041099
"1488438"	172.0579995	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H+NH4"	19.041099
"403839"	673.139018	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+Na"	22.989218
"765928"	998.213918	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+Na"	22.989218
"1609652"	348.064118	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Na"	22.989218
"317865"	337.073147	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+H+Na"	23.996494
"710286"	499.610597	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+H+Na"	23.996494
"1470301"	174.535697	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H+Na"	23.996494
"1062452"	116.69289	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2H+Na"	25.00377
"1260852"	358.108386	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+CH3OH+H"	33.033486
"382706"	689.112958	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+K"	38.963158
"744794"	1014.187858	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+K"	38.963158
"1545751"	364.038058	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+K"	38.963158
"304018"	345.060117	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+H+K"	39.970434
"695710"	507.597567	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+H+K"	39.970434
"1448440"	182.522667	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H+K"	39.970434
"239590"	692.183626	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+ACN+H"	42.033826
"1214121"	367.108726	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+ACN+H"	42.033826
"1199827"	184.058001	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+ACN+2H"	43.041102
"190519"	695.12096	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+2Na-H"	44.97116
"630806"	1020.19586	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+2Na-H"	44.97116
"1137960"	370.04606	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2Na-H"	44.97116
"175776"	348.064118	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+2Na"	45.978436
"616441"	510.601568	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+2Na"	45.978436
"1122133"	185.526668	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2Na"	45.978436
"1411123"	124.020204	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H+2Na"	46.985712
"1430848"	372.087646	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H+HCOOH"	47.012746
"223099"	353.09714	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+3H2O+2H"	56.04448
"1512254"	386.13969	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+IsoProp+H"	61.06479
"410846"	356.051088	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+Na+K"	61.952376
"770263"	518.588538	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+Na+K"	61.952376
"1669267"	193.513638	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Na+K"	61.952376
"252871"	714.165568	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+ACN+Na"	64.015768
"1231773"	389.090668	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+ACN+Na"	64.015768
"1719566"	389.114193	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+NH4+HCOOH"	64.039293
"1184921"	131.347518	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+3Na"	68.967654
"1657001"	394.069588	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Na+HCOOH"	68.994688
"161310"	727.06884	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+2K-H"	76.91904
"600144"	1052.14374	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+2K-H"	76.91904
"1086477"	401.99394	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2K-H"	76.91904
"143656"	364.038058	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"2M+2K"	77.926316
"583582"	526.575508	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"3M+2K"	77.926316
"1082327"	201.500608	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2K"	77.926316
"1112982"	404.008492	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2K+H"	78.933592
"1342806"	404.096107	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+DMSO+H"	79.021207
"1013520"	408.135276	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2ACN+H"	83.060376
"1530551"	409.128908	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+IsoProp+Na+H"	84.054008
"999185"	204.571276	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+2ACN+2H"	84.067652
"1588220"	410.043528	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+K+HCOOH"	84.968628
"1421536"	440.075038	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+H+CF3COOH"	115.000138
"1150731"	225.084551	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+3ACN+2H"	125.094202
"1703569"	457.101585	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+NH4+CF3COOH"	132.026685
"1643595"	462.05698	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+Na+CF3COOH"	136.98208
"1577058"	478.03092	"C18720"	"Diniconazole"	"C15H17Cl2N3O"	"325.0749"	"M+K+CF3COOH"	152.95602
"806331"	326.1114	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M"	0
"978771"	307.09301	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-H2O-H"	-19.01839
"68106"	216.400324	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M-3H"	-3.021828
"513133"	325.104124	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M-3H"	-3.021828
"886560"	107.696524	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-3H"	-3.021828
"1493"	325.104124	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M-2H"	-2.014552
"442511"	488.159824	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M-2H"	-2.014552
"821410"	162.048424	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-2H"	-2.014552
"85780"	651.215524	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M-H"	-1.007276
"526432"	977.326924	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M-H"	-1.007276
"906063"	325.104124	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-H"	-1.007276
"53151"	668.242071	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M-2H+NH4"	16.019271
"490523"	994.353471	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M-2H+NH4"	16.019271
"871603"	342.130671	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-2H+NH4"	16.019271
"38409"	673.197466	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M-2H+Na"	20.974666
"475782"	999.308866	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M-2H+Na"	20.974666
"852490"	347.086066	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-2H+Na"	20.974666
"1628587"	347.086066	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Na-2H"	20.974666
"102927"	343.092463	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M-H+Cl"	33.962126
"543583"	506.148163	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M-H+Cl"	33.962126
"929440"	180.036763	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-H+Cl"	33.962126
"268723"	687.192202	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+Cl"	34.969402
"662964"	1013.303602	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+Cl"	34.969402
"1276098"	361.080802	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Cl"	34.969402
"28872"	689.171406	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M-2H+K"	36.948606
"469529"	1015.282806	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M-2H+K"	36.948606
"847656"	363.060006	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-2H+K"	36.948606
"1570373"	363.060006	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+K-2H"	36.948606
"956881"	371.109594	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-H+HCOOH"	44.998194
"376070"	697.221001	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+HCOOH-H"	44.998201
"361251"	711.236651	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+Hac-H"	59.013851
"1505261"	385.125251	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Hac-H"	59.013851
"966965"	393.091551	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-H+NaCOOH"	66.980151
"123171"	361.080802	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+2Cl"	69.938804
"563102"	524.136502	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+2Cl"	69.938804
"1034089"	198.025102	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2Cl"	69.938804
"1255730"	405.030285	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Br"	78.918885
"1318298"	407.086272	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Cl+HCOOH"	80.974872
"1328135"	429.068229	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Cl+NaCOOH"	102.956829
"924297"	439.096986	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M-H+CF3COOH"	112.985586
"1303847"	475.073664	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Cl+CF3COOH"	148.962264
"1376254"	291.098724	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H-2H2O"	-35.012676
"1391561"	309.1087	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H-H2O"	-17.0027
"292344"	653.230076	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+H"	1.007276
"684400"	979.341476	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+H"	1.007276
"1360748"	327.118676	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H"	1.007276
"134005"	327.118676	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+2H"	2.014552
"573566"	490.174376	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+2H"	2.014552
"1043457"	164.062976	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2H"	2.014552
"211358"	218.414876	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+3H"	3.021828
"648728"	327.118676	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+3H"	3.021828
"1170141"	109.711076	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+3H"	3.021828
"429039"	670.256623	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+NH4"	18.033823
"794407"	996.368023	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+NH4"	18.033823
"1687457"	344.145223	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+NH4"	18.033823
"334640"	335.6319495	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+H+NH4"	19.041099
"724873"	498.6876495	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+H+NH4"	19.041099
"1489642"	172.5762495	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H+NH4"	19.041099
"402855"	675.212018	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+Na"	22.989218
"763850"	1001.323418	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+Na"	22.989218
"1609761"	349.100618	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Na"	22.989218
"321984"	338.109647	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+H+Na"	23.996494
"712219"	501.165347	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+H+Na"	23.996494
"1469318"	175.053947	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H+Na"	23.996494
"1065842"	117.03839	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2H+Na"	25.00377
"1266429"	359.144886	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+CH3OH+H"	33.033486
"387190"	691.185958	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+K"	38.963158
"747090"	1017.297358	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+K"	38.963158
"1545862"	365.074558	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+K"	38.963158
"302306"	346.096617	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+H+K"	39.970434
"695455"	509.152317	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+H+K"	39.970434
"1447820"	183.040917	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H+K"	39.970434
"238608"	694.256626	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+ACN+H"	42.033826
"1213867"	368.145226	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+ACN+H"	42.033826
"1199937"	184.576251	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+ACN+2H"	43.041102
"192087"	697.19396	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+2Na-H"	44.97116
"629578"	1023.30536	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+2Na-H"	44.97116
"1139163"	371.08256	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2Na-H"	44.97116
"174552"	349.100618	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+2Na"	45.978436
"616551"	512.156318	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+2Na"	45.978436
"1124430"	186.044918	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2Na"	45.978436
"1410140"	124.365704	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H+2Na"	46.985712
"1431201"	373.124146	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H+HCOOH"	47.012746
"221386"	354.13364	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+3H2O+2H"	56.04448
"1512364"	387.17619	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+IsoProp+H"	61.06479
"410956"	357.087588	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+Na+K"	61.952376
"776328"	520.143288	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+Na+K"	61.952376
"1670470"	194.031888	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Na+K"	61.952376
"255898"	716.238568	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+ACN+Na"	64.015768
"1231884"	390.127168	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+ACN+Na"	64.015768
"1720772"	390.150693	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+NH4+HCOOH"	64.039293
"1186125"	131.693018	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+3Na"	68.967654
"1662578"	395.106088	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Na+HCOOH"	68.994688
"161786"	729.14184	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+2K-H"	76.91904
"603531"	1055.25324	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+2K-H"	76.91904
"1090234"	403.03044	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2K-H"	76.91904
"148141"	365.074558	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"2M+2K"	77.926316
"584785"	528.130258	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"3M+2K"	77.926316
"1079886"	202.018858	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2K"	77.926316
"1112731"	405.044992	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2K+H"	78.933592
"1345103"	405.132607	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+DMSO+H"	79.021207
"1012539"	409.171776	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2ACN+H"	83.060376
"1531754"	410.165408	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+IsoProp+Na+H"	84.054008
"996014"	205.089526	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+2ACN+2H"	84.067652
"1592703"	411.080028	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+K+HCOOH"	84.968628
"1420552"	441.111538	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+H+CF3COOH"	115.000138
"1154120"	225.602801	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+3ACN+2H"	125.094202
"1703679"	458.138085	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+NH4+CF3COOH"	132.026685
"1638236"	463.09348	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+Na+CF3COOH"	136.98208
"1576075"	479.06742	"C18721"	"Dinobuton"	"C14H18N2O7"	"326.1114"	"M+K+CF3COOH"	152.95602
"806441"	239.131	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M"	0
"974666"	220.11261	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-H2O-H"	-19.01839
"70403"	158.413390666667	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M-3H"	-3.021828
"509962"	238.123724	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M-3H"	-3.021828
"884483"	78.7030573333333	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-3H"	-3.021828
"12"	238.123724	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M-2H"	-2.014552
"440473"	357.689224	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M-2H"	-2.014552
"818240"	118.558224	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-2H"	-2.014552
"88076"	477.254724	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M-H"	-1.007276
"524355"	716.385724	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M-H"	-1.007276
"905443"	238.123724	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-H"	-1.007276
"49250"	494.281271	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M-2H+NH4"	16.019271
"488322"	733.412271	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M-2H+NH4"	16.019271
"868433"	255.150271	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-2H+NH4"	16.019271
"34145"	499.236666	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M-2H+Na"	20.974666
"475891"	738.367666	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M-2H+Na"	20.974666
"852600"	260.105666	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-2H+Na"	20.974666
"1627602"	260.105666	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Na-2H"	20.974666
"97569"	256.112063	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M-H+Cl"	33.962126
"542600"	375.677563	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M-H+Cl"	33.962126
"929550"	136.546563	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-H+Cl"	33.962126
"268834"	513.231402	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+Cl"	34.969402
"660239"	752.362402	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+Cl"	34.969402
"1273780"	274.100402	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Cl"	34.969402
"20958"	515.210606	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M-2H+K"	36.948606
"469639"	754.341606	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M-2H+K"	36.948606
"847682"	276.079606	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-2H+K"	36.948606
"1569711"	276.079606	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+K-2H"	36.948606
"956992"	284.129194	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-H+HCOOH"	44.998194
"376710"	523.260201	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+HCOOH-H"	44.998201
"361041"	537.275851	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+Hac-H"	59.013851
"1507437"	298.144851	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Hac-H"	59.013851
"964161"	306.111151	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-H+NaCOOH"	66.980151
"122186"	274.100402	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+2Cl"	69.938804
"562485"	393.665902	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+2Cl"	69.938804
"1035658"	154.534902	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2Cl"	69.938804
"1255598"	318.049885	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Br"	78.918885
"1318408"	320.105872	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Cl+HCOOH"	80.974872
"1328246"	342.087829	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Cl+NaCOOH"	102.956829
"923314"	352.116586	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M-H+CF3COOH"	112.985586
"1301118"	388.093264	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Cl+CF3COOH"	148.962264
"1375271"	204.118324	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H-2H2O"	-35.012676
"1388392"	222.1283	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H-H2O"	-17.0027
"294277"	479.269276	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+H"	1.007276
"688885"	718.400276	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+H"	1.007276
"1365963"	240.138276	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H"	1.007276
"136302"	240.138276	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+2H"	2.014552
"576956"	359.703776	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+2H"	2.014552
"1042474"	120.572776	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2H"	2.014552
"210375"	160.427942666667	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+3H"	3.021828
"646653"	240.138276	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+3H"	3.021828
"1169158"	80.7176093333333	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+3H"	3.021828
"429150"	496.295823	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+NH4"	18.033823
"791237"	735.426823	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+NH4"	18.033823
"1684287"	257.164823	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+NH4"	18.033823
"334751"	248.6515495	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+H+NH4"	19.041099
"726442"	368.2170495	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+H+NH4"	19.041099
"1487564"	129.0860495	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H+NH4"	19.041099
"399684"	501.251218	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+Na"	22.989218
"761772"	740.382218	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+Na"	22.989218
"1609871"	262.120218	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Na"	22.989218
"318814"	251.129247	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+H+Na"	23.996494
"710869"	370.694747	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+H+Na"	23.996494
"1470520"	131.563747	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H+Na"	23.996494
"1063765"	88.0449233333333	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2H+Na"	25.00377
"1265441"	272.164486	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+CH3OH+H"	33.033486
"380737"	517.225158	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+K"	38.963158
"739909"	756.356158	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+K"	38.963158
"1544878"	278.094158	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+K"	38.963158
"299863"	259.116217	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+H+K"	39.970434
"693013"	378.681717	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+H+K"	39.970434
"1448297"	139.550717	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H+K"	39.970434
"237625"	520.295826	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+ACN+H"	42.033826
"1212883"	281.164826	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+ACN+H"	42.033826
"1195671"	141.086051	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+ACN+2H"	43.041102
"191104"	523.23316	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+2Na-H"	44.97116
"629325"	762.36416	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+2Na-H"	44.97116
"1138180"	284.10216	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2Na-H"	44.97116
"176004"	262.120218	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+2Na"	45.978436
"619942"	381.685718	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+2Na"	45.978436
"1119074"	142.554718	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2Na"	45.978436
"1411344"	95.3722373333333	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H+2Na"	46.985712
"1431191"	286.143746	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H+HCOOH"	47.012746
"222224"	267.15324	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+3H2O+2H"	56.04448
"1512474"	300.19579	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+IsoProp+H"	61.06479
"413253"	270.107188	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+Na+K"	61.952376
"776437"	389.672688	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+Na+K"	61.952376
"1669487"	150.541688	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Na+K"	61.952376
"257101"	542.277768	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+ACN+Na"	64.015768
"1233088"	303.146768	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+ACN+Na"	64.015768
"1720881"	303.170293	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+NH4+HCOOH"	64.039293
"1187328"	102.699551333333	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+3Na"	68.967654
"1660501"	308.125688	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Na+HCOOH"	68.994688
"162259"	555.18104	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+2K-H"	76.91904
"603642"	794.31204	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+2K-H"	76.91904
"1089247"	316.05004	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2K-H"	76.91904
"147157"	278.094158	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"2M+2K"	77.926316
"585625"	397.659658	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"3M+2K"	77.926316
"1083154"	158.528658	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2K"	77.926316
"1112842"	318.064592	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2K+H"	78.933592
"1344120"	318.152207	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+DMSO+H"	79.021207
"1014834"	322.191376	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2ACN+H"	83.060376
"1532958"	323.185008	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+IsoProp+Na+H"	84.054008
"999406"	161.599326	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+2ACN+2H"	84.067652
"1590627"	324.099628	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+K+HCOOH"	84.968628
"1420662"	354.131138	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+H+CF3COOH"	115.000138
"1154231"	182.112601	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+3ACN+2H"	125.094202
"1703789"	371.157685	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+NH4+CF3COOH"	132.026685
"1638346"	376.11308	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+Na+CF3COOH"	136.98208
"1576185"	392.08702	"C18722"	"Diphenamid"	"C16H17NO"	"239.131"	"M+K+CF3COOH"	152.95602
"806551"	287.2573	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M"	0
"975709"	268.23891	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-H2O-H"	-19.01839
"70513"	190.497590666667	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M-3H"	-3.021828
"507885"	286.250024	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M-3H"	-3.021828
"884593"	94.7451573333333	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-3H"	-3.021828
"986"	286.250024	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M-2H"	-2.014552
"440109"	429.878674	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M-2H"	-2.014552
"819443"	142.621374	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-2H"	-2.014552
"86000"	573.507324	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M-H"	-1.007276
"525558"	860.764624	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M-H"	-1.007276
"903366"	286.250024	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-H"	-1.007276
"50454"	590.533871	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M-2H+NH4"	16.019271
"488556"	877.791171	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M-2H+NH4"	16.019271
"868543"	303.276571	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-2H+NH4"	16.019271
"36441"	595.489266	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M-2H+Na"	20.974666
"476001"	882.746566	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M-2H+Na"	20.974666
"852710"	308.231966	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-2H+Na"	20.974666
"1625525"	308.231966	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Na-2H"	20.974666
"100959"	304.238363	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M-H+Cl"	33.962126
"542709"	447.867013	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M-H+Cl"	33.962126
"930753"	160.609713	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-H+Cl"	33.962126
"272590"	609.484002	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+Cl"	34.969402
"661001"	896.741302	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+Cl"	34.969402
"1278510"	322.226702	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Cl"	34.969402
"21068"	611.463206	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M-2H+K"	36.948606
"470114"	898.720506	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M-2H+K"	36.948606
"847186"	324.205906	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-2H+K"	36.948606
"1569214"	324.205906	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+K-2H"	36.948606
"956738"	332.255494	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-H+HCOOH"	44.998194
"376656"	619.512801	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+HCOOH-H"	44.998201
"359444"	633.528451	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+Hac-H"	59.013851
"1504752"	346.271151	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Hac-H"	59.013851
"965000"	354.237451	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-H+NaCOOH"	66.980151
"119377"	322.226702	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+2Cl"	69.938804
"562220"	465.855352	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+2Cl"	69.938804
"1033572"	178.598052	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2Cl"	69.938804
"1255707"	366.176185	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Br"	78.918885
"1317423"	368.232172	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Cl+HCOOH"	80.974872
"1331637"	390.214129	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Cl+NaCOOH"	102.956829
"920508"	400.242886	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M-H+CF3COOH"	112.985586
"1295028"	436.219564	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Cl+CF3COOH"	148.962264
"1375381"	252.244624	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H-2H2O"	-35.012676
"1388502"	270.2546	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H-H2O"	-17.0027
"291471"	575.521876	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+H"	1.007276
"682798"	862.779176	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+H"	1.007276
"1358053"	288.264576	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H"	1.007276
"137506"	288.264576	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+2H"	2.014552
"573786"	431.893226	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+2H"	2.014552
"1045864"	144.635926	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2H"	2.014552
"210485"	192.512142666667	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+3H"	3.021828
"650044"	288.264576	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+3H"	3.021828
"1171456"	96.7597093333333	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+3H"	3.021828
"430353"	592.548423	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+NH4"	18.033823
"790255"	879.805723	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+NH4"	18.033823
"1684397"	305.291123	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+NH4"	18.033823
"337047"	296.7778495	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+H+NH4"	19.041099
"727281"	440.4064995	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+H+NH4"	19.041099
"1484394"	153.1491995	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H+NH4"	19.041099
"396512"	597.503818	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+Na"	22.989218
"757508"	884.761118	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+Na"	22.989218
"1609982"	310.246518	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Na"	22.989218
"317829"	299.255547	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+H+Na"	23.996494
"710249"	442.884197	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+H+Na"	23.996494
"1467350"	155.626897	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H+Na"	23.996494
"1067521"	104.087023333333	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2H+Na"	25.00377
"1266646"	320.290786	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+CH3OH+H"	33.033486
"380847"	613.477758	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+K"	38.963158
"740018"	900.735058	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+K"	38.963158
"1541342"	326.220458	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+K"	38.963158
"301067"	307.242517	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+H+K"	39.970434
"692755"	450.871167	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+H+K"	39.970434
"1448407"	163.613867	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H+K"	39.970434
"238462"	616.548426	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+ACN+H"	42.033826
"1212261"	329.291126	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+ACN+H"	42.033826
"1199429"	165.149201	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+ACN+2H"	43.041102
"190850"	619.48576	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+2Na-H"	44.97116
"630407"	906.74306	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+2Na-H"	44.97116
"1138290"	332.22846	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2Na-H"	44.97116
"175021"	310.246518	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+2Na"	45.978436
"616772"	453.875168	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+2Na"	45.978436
"1122464"	166.617868	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2Na"	45.978436
"1408904"	111.414337333333	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H+2Na"	46.985712
"1442114"	334.270046	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H+HCOOH"	47.012746
"229988"	315.27954	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+3H2O+2H"	56.04448
"1512584"	348.32209	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+IsoProp+H"	61.06479
"412268"	318.233488	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+Na+K"	61.952376
"773263"	461.862138	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+Na+K"	61.952376
"1669959"	174.604838	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Na+K"	61.952376
"256118"	638.530368	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+ACN+Na"	64.015768
"1232469"	351.273068	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+ACN+Na"	64.015768
"1719532"	351.296593	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+NH4+HCOOH"	64.039293
"1185251"	118.741651333333	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+3Na"	68.967654
"1662798"	356.251988	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Na+HCOOH"	68.994688
"162004"	651.43364	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+2K-H"	76.91904
"600472"	938.69094	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+2K-H"	76.91904
"1087536"	364.17634	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2K-H"	76.91904
"145808"	326.220458	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"2M+2K"	77.926316
"585734"	469.849108	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"3M+2K"	77.926316
"1083873"	182.591808	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2K"	77.926316
"1112222"	366.190892	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2K+H"	78.933592
"1345323"	366.278507	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+DMSO+H"	79.021207
"1014945"	370.317676	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2ACN+H"	83.060376
"1536350"	371.311308	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+IsoProp+Na+H"	84.054008
"999516"	185.662476	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+2ACN+2H"	84.067652
"1591830"	372.225928	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+K+HCOOH"	84.968628
"1421866"	402.257438	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+H+CF3COOH"	115.000138
"1153248"	206.175751	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+3ACN+2H"	125.094202
"1703897"	419.283985	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+NH4+CF3COOH"	132.026685
"1638456"	424.23938	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+Na+CF3COOH"	136.98208
"1576295"	440.21332	"C18723"	"Dodine;Dodecylguanidine acetate"	"C13H29N3C2H4O2"	"287.2573"	"M+K+CF3COOH"	152.95602
"806661"	230.0167	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M"	0
"975819"	210.99831	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-H2O-H"	-19.01839
"70623"	152.337190666667	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M-3H"	-3.021828
"505808"	229.009424	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M-3H"	-3.021828
"885796"	75.6649573333333	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-3H"	-3.021828
"1460"	229.009424	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M-2H"	-2.014552
"440655"	344.017774	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M-2H"	-2.014552
"820647"	114.001074	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-2H"	-2.014552
"86110"	459.026124	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M-H"	-1.007276
"530412"	689.042824	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M-H"	-1.007276
"898009"	229.009424	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-H"	-1.007276
"53480"	476.052671	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M-2H+NH4"	16.019271
"487815"	706.069371	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M-2H+NH4"	16.019271
"873028"	246.035971	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-2H+NH4"	16.019271
"36554"	481.008066	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M-2H+Na"	20.974666
"473926"	711.024766	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M-2H+Na"	20.974666
"855008"	250.991366	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-2H+Na"	20.974666
"1625635"	250.991366	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Na-2H"	20.974666
"101069"	246.997763	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M-H+Cl"	33.962126
"542819"	362.006113	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M-H+Cl"	33.962126
"930864"	131.989413	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-H+Cl"	33.962126
"272700"	495.002802	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+Cl"	34.969402
"660340"	725.019502	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+Cl"	34.969402
"1277527"	264.986102	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Cl"	34.969402
"21178"	496.982006	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M-2H+K"	36.948606
"464018"	726.998706	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M-2H+K"	36.948606
"846203"	266.965306	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-2H+K"	36.948606
"1568232"	266.965306	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+K-2H"	36.948606
"955752"	275.014894	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-H+HCOOH"	44.998194
"375430"	505.031601	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+HCOOH-H"	44.998201
"360042"	519.047251	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+Hac-H"	59.013851
"1506690"	289.030551	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Hac-H"	59.013851
"965475"	296.996851	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-H+NaCOOH"	66.980151
"122042"	264.986102	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+2Cl"	69.938804
"564158"	379.994452	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+2Cl"	69.938804
"1033682"	149.977752	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2Cl"	69.938804
"1248519"	308.935585	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Br"	78.918885
"1313154"	310.991572	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Cl+HCOOH"	80.974872
"1334916"	332.973529	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Cl+NaCOOH"	102.956829
"926089"	343.002286	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M-H+CF3COOH"	112.985586
"1300244"	378.978964	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Cl+CF3COOH"	148.962264
"1374397"	195.004024	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H-2H2O"	-35.012676
"1390796"	213.014	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H-H2O"	-17.0027
"294861"	461.040676	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+H"	1.007276
"690810"	691.057376	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+H"	1.007276
"1365459"	231.023976	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H"	1.007276
"139441"	231.023976	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+2H"	2.014552
"573896"	346.032326	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+2H"	2.014552
"1042694"	116.015626	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2H"	2.014552
"210595"	154.351742666667	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+3H"	3.021828
"651247"	231.023976	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+3H"	3.021828
"1173754"	77.6795093333333	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+3H"	3.021828
"435932"	478.067223	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+NH4"	18.033823
"794740"	708.083923	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+NH4"	18.033823
"1681951"	248.050523	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+NH4"	18.033823
"331690"	239.5372495	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+H+NH4"	19.041099
"723338"	354.5455995	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+H+NH4"	19.041099
"1480129"	124.5288995	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H+NH4"	19.041099
"395894"	483.022618	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+Na"	22.989218
"755793"	713.039318	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+Na"	22.989218
"1608999"	253.005918	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Na"	22.989218
"316844"	242.014947	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+H+Na"	23.996494
"709266"	357.023297	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+H+Na"	23.996494
"1466368"	127.006597	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H+Na"	23.996494
"1060706"	85.0068233333333	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2H+Na"	25.00377
"1264568"	263.050186	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+CH3OH+H"	33.033486
"384237"	498.996558	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+K"	38.963158
"742317"	729.013258	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+K"	38.963158
"1543639"	268.979858	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+K"	38.963158
"301178"	250.001917	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+H+K"	39.970434
"695423"	365.010267	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+H+K"	39.970434
"1449611"	134.993567	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H+K"	39.970434
"237842"	502.067226	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+ACN+H"	42.033826
"1213101"	272.050526	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+ACN+H"	42.033826
"1196255"	136.528901	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+ACN+2H"	43.041102
"195338"	505.00456	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+2Na-H"	44.97116
"631616"	735.02126	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+2Na-H"	44.97116
"1133662"	274.98786	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2Na-H"	44.97116
"180600"	253.005918	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+2Na"	45.978436
"619070"	368.014268	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+2Na"	45.978436
"1124761"	137.997568	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2Na"	45.978436
"1410475"	92.3341373333333	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H+2Na"	46.985712
"1442956"	277.029446	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H+HCOOH"	47.012746
"233015"	258.03894	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+3H2O+2H"	56.04448
"1511965"	291.08149	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+IsoProp+H"	61.06479
"414566"	260.992888	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+Na+K"	61.952376
"776653"	376.001238	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+Na+K"	61.952376
"1668611"	145.984538	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Na+K"	61.952376
"259508"	524.049168	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+ACN+Na"	64.015768
"1233309"	294.032468	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+ACN+Na"	64.015768
"1719278"	294.055993	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+NH4+HCOOH"	64.039293
"1185361"	99.6614513333333	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+3Na"	68.967654
"1661814"	299.011388	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Na+HCOOH"	68.994688
"161752"	536.95244	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+2K-H"	76.91904
"600947"	766.96914	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+2K-H"	76.91904
"1087644"	306.93574	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2K-H"	76.91904
"145919"	268.979858	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"2M+2K"	77.926316
"586210"	383.988208	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"3M+2K"	77.926316
"1081307"	153.971508	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2K"	77.926316
"1111238"	308.950292	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2K+H"	78.933592
"1347620"	309.037907	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+DMSO+H"	79.021207
"1016147"	313.077076	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2ACN+H"	83.060376
"1534273"	314.070708	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+IsoProp+Na+H"	84.054008
"995253"	157.042176	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+2ACN+2H"	84.067652
"1589755"	314.985328	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+K+HCOOH"	84.968628
"1418696"	345.016838	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+H+CF3COOH"	115.000138
"1154452"	177.555451	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+3ACN+2H"	125.094202
"1704007"	362.043385	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+NH4+CF3COOH"	132.026685
"1638566"	366.99878	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+Na+CF3COOH"	136.98208
"1573486"	382.97272	"C18724"	"Endothal-disodium"	"C8H8O52Na"	"230.0167"	"M+K+CF3COOH"	152.95602
"806771"	383.9876	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M"	0
"980303"	364.96921	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-H2O-H"	-19.01839
"67453"	254.984457333333	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M-3H"	-3.021828
"513573"	382.980324	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M-3H"	-3.021828
"888094"	126.988590666667	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-3H"	-3.021828
"592"	382.980324	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M-2H"	-2.014552
"441371"	574.974124	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M-2H"	-2.014552
"820756"	190.986524	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-2H"	-2.014552
"87313"	766.967924	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M-H"	-1.007276
"526874"	1150.955524	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M-H"	-1.007276
"904679"	382.980324	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-H"	-1.007276
"56870"	783.994471	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M-2H+NH4"	16.019271
"490963"	1167.982071	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M-2H+NH4"	16.019271
"872044"	400.006871	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-2H+NH4"	16.019271
"36664"	788.949866	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M-2H+Na"	20.974666
"474036"	1172.937466	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M-2H+Na"	20.974666
"852930"	404.962266	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-2H+Na"	20.974666
"1622465"	404.962266	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Na-2H"	20.974666
"100086"	400.968663	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M-H+Cl"	33.962126
"544022"	592.962463	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M-H+Cl"	33.962126
"930974"	208.974863	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-H+Cl"	33.962126
"272810"	802.944602	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+Cl"	34.969402
"660854"	1186.932202	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+Cl"	34.969402
"1277637"	418.957002	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Cl"	34.969402
"17155"	804.923806	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M-2H+K"	36.948606
"461941"	1188.911406	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M-2H+K"	36.948606
"847041"	420.936206	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-2H+K"	36.948606
"1568705"	420.936206	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+K-2H"	36.948606
"956954"	428.985794	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-H+HCOOH"	44.998194
"375421"	812.973401	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+HCOOH-H"	44.998201
"360156"	826.989051	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+Hac-H"	59.013851
"1506919"	443.001451	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Hac-H"	59.013851
"967407"	450.967751	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-H+NaCOOH"	66.980151
"123611"	418.957002	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+2Cl"	69.938804
"564508"	610.950802	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+2Cl"	69.938804
"1033792"	226.963202	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2Cl"	69.938804
"1247535"	462.906485	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Br"	78.918885
"1312171"	464.962472	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Cl+HCOOH"	80.974872
"1335145"	486.944429	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Cl+NaCOOH"	102.956829
"926324"	496.973186	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M-H+CF3COOH"	112.985586
"1301811"	532.949864	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Cl+CF3COOH"	148.962264
"1374507"	348.974924	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H-2H2O"	-35.012676
"1388719"	366.9849	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H-H2O"	-17.0027
"291323"	768.982476	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+H"	1.007276
"683018"	1152.970076	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+H"	1.007276
"1366176"	384.994876	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H"	1.007276
"140524"	384.994876	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+2H"	2.014552
"574006"	576.988676	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+2H"	2.014552
"1043897"	193.001076	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2H"	2.014552
"209611"	256.999009333333	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+3H"	3.021828
"648077"	384.994876	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+3H"	3.021828
"1176050"	129.003142666667	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+3H"	3.021828
"429480"	786.009023	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+NH4"	18.033823
"794850"	1169.996623	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+NH4"	18.033823
"1684982"	402.021423	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+NH4"	18.033823
"330948"	393.5081495	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+H+NH4"	19.041099
"724223"	585.5019495	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+H+NH4"	19.041099
"1482062"	201.5143495	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H+NH4"	19.041099
"403295"	790.964418	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+Na"	22.989218
"765384"	1174.952018	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+Na"	22.989218
"1610202"	406.976818	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Na"	22.989218
"318413"	395.985847	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+H+Na"	23.996494
"710835"	587.979647	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+H+Na"	23.996494
"1467571"	203.992047	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H+Na"	23.996494
"1060816"	136.330456666667	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2H+Na"	25.00377
"1266867"	417.021086	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+CH3OH+H"	33.033486
"383254"	806.938358	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+K"	38.963158
"740969"	1190.925958	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+K"	38.963158
"1542656"	422.950758	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+K"	38.963158
"300195"	403.972817	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+H+K"	39.970434
"695169"	595.966617	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+H+K"	39.970434
"1447896"	211.979017	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H+K"	39.970434
"236981"	810.009026	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+ACN+H"	42.033826
"1212483"	426.021426	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+ACN+H"	42.033826
"1196365"	213.514351	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+ACN+2H"	43.041102
"194354"	812.94636	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+2Na-H"	44.97116
"630633"	1196.93396	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+2Na-H"	44.97116
"1134135"	428.95876	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2Na-H"	44.97116
"177429"	406.976818	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+2Na"	45.978436
"620271"	598.970618	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+2Na"	45.978436
"1119038"	214.983018	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2Na"	45.978436
"1410946"	143.657770666667	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H+2Na"	46.985712
"1438323"	431.000346	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H+HCOOH"	47.012746
"231664"	412.00984	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+3H2O+2H"	56.04448
"1510982"	445.05239	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+IsoProp+H"	61.06479
"409573"	414.963788	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+Na+K"	61.952376
"771659"	606.957588	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+Na+K"	61.952376
"1668721"	222.969988	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Na+K"	61.952376
"257431"	831.990968	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+ACN+Na"	64.015768
"1233054"	448.003368	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+ACN+Na"	64.015768
"1720117"	448.026893	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+NH4+HCOOH"	64.039293
"1184377"	150.985084666667	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+3Na"	68.967654
"1661561"	452.982288	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Na+HCOOH"	68.994688
"162953"	844.89424	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+2K-H"	76.91904
"602514"	1228.88184	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+2K-H"	76.91904
"1088847"	460.90664	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2K-H"	76.91904
"146029"	422.950758	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"2M+2K"	77.926316
"587049"	614.944558	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"3M+2K"	77.926316
"1080689"	230.956958	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2K"	77.926316
"1112078"	462.921192	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2K+H"	78.933592
"1348823"	463.008807	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+DMSO+H"	79.021207
"1012978"	467.047976	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2ACN+H"	83.060376
"1533291"	468.041608	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+IsoProp+Na+H"	84.054008
"995364"	234.027626	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+2ACN+2H"	84.067652
"1590959"	468.956228	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+K+HCOOH"	84.968628
"1420993"	498.987738	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+H+CF3COOH"	115.000138
"1150188"	254.540901	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+3ACN+2H"	125.094202
"1704117"	516.014285	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+NH4+CF3COOH"	132.026685
"1638676"	520.96968	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+Na+CF3COOH"	136.98208
"1573596"	536.94362	"C18725"	"Ethion"	"C9H22O4P2S4"	"383.9876"	"M+K+CF3COOH"	152.95602
"806881"	273.2457	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M"	0
"976038"	254.22731	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-H2O-H"	-19.01839
"67563"	181.156524	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M-3H"	-3.021828
"510403"	272.238424	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M-3H"	-3.021828
"887111"	90.074624	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-3H"	-3.021828
"218"	272.238424	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M-2H"	-2.014552
"440507"	408.861274	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M-2H"	-2.014552
"818314"	135.615574	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-2H"	-2.014552
"89611"	545.484124	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M-H"	-1.007276
"526984"	818.729824	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M-H"	-1.007276
"899325"	272.238424	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-H"	-1.007276
"51513"	562.510671	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M-2H+NH4"	16.019271
"488887"	835.756371	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M-2H+NH4"	16.019271
"868874"	289.264971	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-2H+NH4"	16.019271
"36775"	567.466066	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M-2H+Na"	20.974666
"477428"	840.711766	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M-2H+Na"	20.974666
"856325"	294.220366	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-2H+Na"	20.974666
"1630230"	294.220366	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Na-2H"	20.974666
"100197"	290.226763	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M-H+Cl"	33.962126
"541947"	426.849613	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M-H+Cl"	33.962126
"935460"	153.603913	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-H+Cl"	33.962126
"274017"	581.460802	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+Cl"	34.969402
"671541"	854.706502	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+Cl"	34.969402
"1281028"	308.215102	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Cl"	34.969402
"19210"	583.440006	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M-2H+K"	36.948606
"462051"	856.685706	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M-2H+K"	36.948606
"847761"	310.194306	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-2H+K"	36.948606
"1569908"	310.194306	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+K-2H"	36.948606
"957428"	318.243894	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-H+HCOOH"	44.998194
"376016"	591.489601	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+HCOOH-H"	44.998201
"360627"	605.505251	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+Hac-H"	59.013851
"1506178"	332.259551	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Hac-H"	59.013851
"967517"	340.225851	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-H+NaCOOH"	66.980151
"124085"	308.215102	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+2Cl"	69.938804
"564254"	444.837952	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+2Cl"	69.938804
"1033902"	171.592252	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2Cl"	69.938804
"1252021"	352.164585	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Br"	78.918885
"1310095"	354.220572	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Cl+HCOOH"	80.974872
"1334523"	376.202529	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Cl+NaCOOH"	102.956829
"925216"	386.231286	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M-H+CF3COOH"	112.985586
"1301557"	422.207964	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Cl+CF3COOH"	148.962264
"1374617"	238.233024	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H-2H2O"	-35.012676
"1387007"	256.243	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H-H2O"	-17.0027
"286332"	547.498676	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+H"	1.007276
"683128"	820.744376	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+H"	1.007276
"1364947"	274.252976	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H"	1.007276
"140391"	274.252976	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+2H"	2.014552
"574116"	410.875826	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+2H"	2.014552
"1042914"	137.630126	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2H"	2.014552
"207535"	183.171076	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+3H"	3.021828
"647094"	274.252976	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+3H"	3.021828
"1177741"	92.089176	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+3H"	3.021828
"429590"	564.525223	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+NH4"	18.033823
"794960"	837.770923	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+NH4"	18.033823
"1685821"	291.279523	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+NH4"	18.033823
"333004"	282.7662495	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+H+NH4"	19.041099
"724698"	419.3890995	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+H+NH4"	19.041099
"1483994"	146.1433995	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H+NH4"	19.041099
"397938"	569.480618	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+Na"	22.989218
"760026"	842.726318	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+Na"	22.989218
"1607394"	296.234918	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Na"	22.989218
"318159"	285.243947	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+H+Na"	23.996494
"709486"	421.866797	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+H+Na"	23.996494
"1468775"	148.621097	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H+Na"	23.996494
"1058739"	99.41649	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2H+Na"	25.00377
"1261510"	306.279186	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+CH3OH+H"	33.033486
"383365"	585.454558	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+K"	38.963158
"741806"	858.700258	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+K"	38.963158
"1542035"	312.208858	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+K"	38.963158
"298966"	293.230917	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+H+K"	39.970434
"691873"	429.853767	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+H+K"	39.970434
"1446911"	156.608067	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H+K"	39.970434
"236967"	588.525226	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+ACN+H"	42.033826
"1211863"	315.279526	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+ACN+H"	42.033826
"1195016"	158.143401	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+ACN+2H"	43.041102
"193371"	591.46256	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+2Na-H"	44.97116
"630377"	864.70826	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+2Na-H"	44.97116
"1132178"	318.21686	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2Na-H"	44.97116
"176446"	296.234918	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+2Na"	45.978436
"617101"	432.857768	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+2Na"	45.978436
"1116231"	159.612068	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2Na"	45.978436
"1407410"	106.743804	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H+2Na"	46.985712
"1438433"	320.258446	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H+HCOOH"	47.012746
"229222"	301.26794	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+3H2O+2H"	56.04448
"1512914"	334.31049	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+IsoProp+H"	61.06479
"410047"	304.221888	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+Na+K"	61.952376
"771769"	440.844738	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+Na+K"	61.952376
"1671018"	167.599038	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Na+K"	61.952376
"254986"	610.507168	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+ACN+Na"	64.015768
"1230977"	337.261468	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+ACN+Na"	64.015768
"1720227"	337.284993	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+NH4+HCOOH"	64.039293
"1184122"	114.071118	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+3Na"	68.967654
"1659848"	342.240388	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Na+HCOOH"	68.994688
"161242"	623.41044	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+2K-H"	76.91904
"601895"	896.65614	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+2K-H"	76.91904
"1090051"	350.16474	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2K-H"	76.91904
"144680"	312.208858	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"2M+2K"	77.926316
"585335"	448.831708	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"3M+2K"	77.926316
"1082622"	175.586008	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2K"	77.926316
"1112916"	352.179292	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2K+H"	78.933592
"1347840"	352.266907	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+DMSO+H"	79.021207
"1013088"	356.306076	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2ACN+H"	83.060376
"1532308"	357.299708	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+IsoProp+Na+H"	84.054008
"995474"	178.656676	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+2ACN+2H"	84.067652
"1591069"	358.214328	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+K+HCOOH"	84.968628
"1421103"	388.245838	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+H+CF3COOH"	115.000138
"1149205"	199.169951	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+3ACN+2H"	125.094202
"1704227"	405.272385	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+NH4+CF3COOH"	132.026685
"1638786"	410.22778	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+Na+CF3COOH"	136.98208
"1575528"	426.20172	"C18726"	"Fenpropidin"	"C19H31N"	"273.2457"	"M+K+CF3COOH"	152.95602
"813554"	306.1732	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M"	0
"980525"	287.15481	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-H2O-H"	-19.01839
"66580"	203.108190666667	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M-3H"	-3.021828
"510513"	305.165924	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M-3H"	-3.021828
"882848"	101.050457333333	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-3H"	-3.021828
"26"	305.165924	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M-2H"	-2.014552
"440982"	458.252524	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M-2H"	-2.014552
"818424"	152.079324	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-2H"	-2.014552
"89724"	611.339124	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M-H"	-1.007276
"530374"	917.512324	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M-H"	-1.007276
"909276"	305.165924	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-H"	-1.007276
"55998"	628.365671	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M-2H+NH4"	16.019271
"498839"	934.538871	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M-2H+NH4"	16.019271
"874453"	322.192471	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-2H+NH4"	16.019271
"43446"	633.321066	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M-2H+Na"	20.974666
"480818"	939.494266	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M-2H+Na"	20.974666
"860808"	327.147866	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-2H+Na"	20.974666
"1627060"	327.147866	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Na-2H"	20.974666
"100309"	323.154263	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M-H+Cl"	33.962126
"544244"	476.240863	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M-H+Cl"	33.962126
"935571"	170.067663	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-H+Cl"	33.962126
"274127"	647.315802	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+Cl"	34.969402
"669829"	953.489002	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+Cl"	34.969402
"1277857"	341.142602	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Cl"	34.969402
"17497"	649.295006	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M-2H+K"	36.948606
"458880"	955.468206	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M-2H+K"	36.948606
"848230"	343.121806	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-2H+K"	36.948606
"1566735"	343.121806	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+K-2H"	36.948606
"955710"	351.171394	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-H+HCOOH"	44.998194
"377055"	657.344601	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+HCOOH-H"	44.998201
"361338"	671.360251	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+Hac-H"	59.013851
"1507017"	365.187051	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Hac-H"	59.013851
"972007"	373.153351	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-H+NaCOOH"	66.980151
"125172"	341.142602	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+2Cl"	69.938804
"564127"	494.229202	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+2Cl"	69.938804
"1036568"	188.056002	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2Cl"	69.938804
"1256757"	385.092085	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Br"	78.918885
"1319693"	387.148072	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Cl+HCOOH"	80.974872
"1335000"	409.130029	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Cl+NaCOOH"	102.956829
"925327"	419.158786	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M-H+CF3COOH"	112.985586
"1303253"	455.135464	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Cl+CF3COOH"	148.962264
"1378008"	271.160524	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H-2H2O"	-35.012676
"1391859"	289.1705	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H-H2O"	-17.0027
"291911"	613.353676	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+H"	1.007276
"683238"	919.526876	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+H"	1.007276
"1355213"	307.180476	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H"	1.007276
"136855"	307.180476	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+2H"	2.014552
"568760"	460.267076	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+2H"	2.014552
"1043028"	154.093876	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2H"	2.014552
"210928"	205.122742666667	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+3H"	3.021828
"651581"	307.180476	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+3H"	3.021828
"1174083"	103.065009333333	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+3H"	3.021828
"432979"	630.380223	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+NH4"	18.033823
"791791"	936.553423	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+NH4"	18.033823
"1685932"	324.207023	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+NH4"	18.033823
"331658"	315.6937495	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+H+NH4"	19.041099
"722984"	468.7803495	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+H+NH4"	19.041099
"1485928"	162.6071495	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H+NH4"	19.041099
"395495"	635.335618	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+Na"	22.989218
"761233"	941.508818	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+Na"	22.989218
"1608236"	329.162418	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Na"	22.989218
"316087"	318.171447	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+H+Na"	23.996494
"711787"	471.258047	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+H+Na"	23.996494
"1466701"	165.084847	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H+Na"	23.996494
"1058851"	110.392323333333	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2H+Na"	25.00377
"1267092"	339.206686	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+CH3OH+H"	33.033486
"387853"	651.309558	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+K"	38.963158
"749941"	957.482758	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+K"	38.963158
"1548712"	345.136358	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+K"	38.963158
"302606"	326.158417	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+H+K"	39.970434
"692835"	479.245017	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+H+K"	39.970434
"1447750"	173.071817	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H+K"	39.970434
"237447"	654.380226	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+ACN+H"	42.033826
"1211004"	348.207026	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+ACN+H"	42.033826
"1194478"	174.607151	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+ACN+2H"	43.041102
"189943"	657.31756	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+2Na-H"	44.97116
"630975"	963.49076	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+2Na-H"	44.97116
"1131924"	351.14436	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2Na-H"	44.97116
"176556"	329.162418	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+2Na"	45.978436
"613024"	482.249018	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+2Na"	45.978436
"1118895"	176.075818	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2Na"	45.978436
"1404605"	117.719637333333	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H+2Na"	46.985712
"1430765"	353.185946	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H+HCOOH"	47.012746
"224595"	334.19544	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+3H2O+2H"	56.04448
"1509743"	367.23799	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+IsoProp+H"	61.06479
"408940"	337.149388	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+Na+K"	61.952376
"774800"	490.235988	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+Na+K"	61.952376
"1666100"	184.062788	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Na+K"	61.952376
"252056"	676.362168	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+ACN+Na"	64.015768
"1228171"	370.188968	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+ACN+Na"	64.015768
"1713285"	370.212493	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+NH4+HCOOH"	64.039293
"1179166"	125.046951333333	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+3Na"	68.967654
"1650602"	375.167888	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Na+HCOOH"	68.994688
"159892"	689.26544	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+2K-H"	76.91904
"597909"	995.43864	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+2K-H"	76.91904
"1087975"	383.09224	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2K-H"	76.91904
"142478"	345.136358	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"2M+2K"	77.926316
"582890"	498.222958	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"3M+2K"	77.926316
"1082374"	192.049758	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2K"	77.926316
"1114488"	385.106792	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2K+H"	78.933592
"1348684"	385.194407	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+DMSO+H"	79.021207
"1016481"	389.233576	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2ACN+H"	83.060376
"1535698"	390.227208	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+IsoProp+Na+H"	84.054008
"994490"	195.120426	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+2ACN+2H"	84.067652
"1596648"	391.141828	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+K+HCOOH"	84.968628
"1421214"	421.173338	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+H+CF3COOH"	115.000138
"1149315"	215.633701	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+3ACN+2H"	125.094202
"1704339"	438.199885	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+NH4+CF3COOH"	132.026685
"1638896"	443.15528	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+Na+CF3COOH"	136.98208
"1576735"	459.12922	"C18727"	"Fenazaquin"	"C20H22N2O"	"306.1732"	"M+K+CF3COOH"	152.95602
"807101"	410.0329	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M"	0
"978445"	391.01451	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-H2O-H"	-19.01839
"73250"	272.347990666667	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M-3H"	-3.021828
"509530"	409.025624	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M-3H"	-3.021828
"889518"	135.670357333333	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-3H"	-3.021828
"1532"	409.025624	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M-2H"	-2.014552
"440279"	614.042074	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M-2H"	-2.014552
"817678"	204.009174	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-2H"	-2.014552
"81081"	819.058524	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M-H"	-1.007276
"518563"	1229.091424	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M-H"	-1.007276
"909022"	409.025624	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-H"	-1.007276
"53920"	836.085071	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M-2H+NH4"	16.019271
"497855"	1246.117971	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M-2H+NH4"	16.019271
"866909"	426.052171	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-2H+NH4"	16.019271
"40276"	841.040466	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M-2H+Na"	20.974666
"478741"	1251.073366	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M-2H+Na"	20.974666
"858731"	431.007566	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-2H+Na"	20.974666
"1623889"	431.007566	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Na-2H"	20.974666
"97139"	427.013963	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M-H+Cl"	33.962126
"545447"	632.030413	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M-H+Cl"	33.962126
"935681"	221.997513	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-H+Cl"	33.962126
"274237"	855.035202	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+Cl"	34.969402
"669211"	1265.068102	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+Cl"	34.969402
"1280884"	445.002302	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Cl"	34.969402
"21618"	857.014406	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M-2H+K"	36.948606
"458991"	1267.047306	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M-2H+K"	36.948606
"841899"	446.981506	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-2H+K"	36.948606
"1563563"	446.981506	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+K-2H"	36.948606
"952540"	455.031094	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-H+HCOOH"	44.998194
"377074"	865.064001	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+HCOOH-H"	44.998201
"361174"	879.079651	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+Hac-H"	59.013851
"1506398"	469.046751	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Hac-H"	59.013851
"971024"	477.013051	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-H+NaCOOH"	66.980151
"124795"	445.002302	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+2Cl"	69.938804
"565089"	650.018752	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+2Cl"	69.938804
"1036803"	239.985852	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2Cl"	69.938804
"1256875"	488.951785	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Br"	78.918885
"1319684"	491.007772	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Cl+HCOOH"	80.974872
"1335108"	512.989729	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Cl+NaCOOH"	102.956829
"925072"	523.018486	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M-H+CF3COOH"	112.985586
"1301052"	558.995164	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Cl+CF3COOH"	148.962264
"1378117"	375.020224	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H-2H2O"	-35.012676
"1391240"	393.0302	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H-H2O"	-17.0027
"293114"	821.073076	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+H"	1.007276
"681161"	1231.105976	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+H"	1.007276
"1356416"	411.040176	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H"	1.007276
"136965"	411.040176	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+2H"	2.014552
"568870"	616.056626	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+2H"	2.014552
"1043138"	206.023726	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2H"	2.014552
"209945"	274.362542666667	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+3H"	3.021828
"652784"	411.040176	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+3H"	3.021828
"1174193"	137.684909333333	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+3H"	3.021828
"431996"	838.099623	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+NH4"	18.033823
"792994"	1248.132523	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+NH4"	18.033823
"1690416"	428.066723	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+NH4"	18.033823
"331404"	419.5534495	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+H+NH4"	19.041099
"727834"	624.5698995	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+H+NH4"	19.041099
"1480933"	214.5369995	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H+NH4"	19.041099
"395606"	843.055018	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+Na"	22.989218
"762436"	1253.087918	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+Na"	22.989218
"1608346"	433.022118	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Na"	22.989218
"316197"	422.031147	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+H+Na"	23.996494
"710804"	627.047597	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+H+Na"	23.996494
"1463161"	217.014697	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H+Na"	23.996494
"1057868"	145.012223333333	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2H+Na"	25.00377
"1265015"	443.066386	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+CH3OH+H"	33.033486
"382496"	859.028958	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+K"	38.963158
"750051"	1269.061858	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+K"	38.963158
"1547729"	448.996058	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+K"	38.963158
"303810"	430.018117	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+H+K"	39.970434
"692946"	635.034567	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+H+K"	39.970434
"1448956"	225.001667	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H+K"	39.970434
"237192"	862.099626	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+ACN+H"	42.033826
"1210991"	452.066726	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+ACN+H"	42.033826
"1194384"	226.537001	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+ACN+2H"	43.041102
"190053"	865.03696	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+2Na-H"	44.97116
"628690"	1275.06986	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+2Na-H"	44.97116
"1131917"	455.00406	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2Na-H"	44.97116
"173749"	433.022118	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+2Na"	45.978436
"612894"	638.038568	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+2Na"	45.978436
"1121192"	228.005668	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2Na"	45.978436
"1400097"	152.339537333333	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H+2Na"	46.985712
"1433552"	457.045646	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H+HCOOH"	47.012746
"224341"	438.05514	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+3H2O+2H"	56.04448
"1509853"	471.09769	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+IsoProp+H"	61.06479
"409211"	441.009088	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+Na+K"	61.952376
"770898"	646.025538	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+Na+K"	61.952376
"1665687"	235.992638	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Na+K"	61.952376
"252047"	884.081568	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+ACN+Na"	64.015768
"1227917"	474.048668	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+ACN+Na"	64.015768
"1714979"	474.072193	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+NH4+HCOOH"	64.039293
"1181426"	159.666851333333	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+3Na"	68.967654
"1651684"	479.027588	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Na+HCOOH"	68.994688
"158908"	896.98484	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+2K-H"	76.91904
"599562"	1307.01774	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+2K-H"	76.91904
"1089907"	486.95194	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2K-H"	76.91904
"145629"	448.996058	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"2M+2K"	77.926316
"583122"	654.012508	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"3M+2K"	77.926316
"1082847"	243.979608	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2K"	77.926316
"1115207"	488.966492	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2K+H"	78.933592
"1347701"	489.054107	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+DMSO+H"	79.021207
"1017684"	493.093276	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2ACN+H"	83.060376
"1532528"	494.086908	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+IsoProp+Na+H"	84.054008
"995694"	247.050276	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+2ACN+2H"	84.067652
"1595666"	495.001528	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+K+HCOOH"	84.968628
"1419138"	525.033038	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+H+CF3COOH"	115.000138
"1149426"	267.563551	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+3ACN+2H"	125.094202
"1709915"	542.059585	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+NH4+CF3COOH"	132.026685
"1642286"	547.01498	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+Na+CF3COOH"	136.98208
"1580124"	562.98892	"C18728"	"Fentin acetate"	"C20H18O2Sn"	"410.0329"	"M+K+CF3COOH"	152.95602
"808304"	368.0223	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M"	0
"976367"	349.00391	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-H2O-H"	-19.01839
"65703"	244.340924	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M-3H"	-3.021828
"508546"	367.015024	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M-3H"	-3.021828
"884161"	121.666824	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-3H"	-3.021828
"2007"	367.015024	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M-2H"	-2.014552
"440716"	551.026174	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M-2H"	-2.014552
"818031"	183.003874	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-2H"	-2.014552
"81191"	735.037324	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M-H"	-1.007276
"519119"	1103.059624	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M-H"	-1.007276
"907309"	367.015024	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-H"	-1.007276
"54030"	752.063871	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M-2H+NH4"	16.019271
"497965"	1120.086171	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M-2H+NH4"	16.019271
"867019"	384.041571	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-2H+NH4"	16.019271
"37106"	757.019266	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M-2H+Na"	20.974666
"477758"	1125.041566	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M-2H+Na"	20.974666
"858841"	388.996966	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-2H+Na"	20.974666
"1623999"	388.996966	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Na-2H"	20.974666
"101621"	385.003363	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M-H+Cl"	33.962126
"545193"	569.014513	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M-H+Cl"	33.962126
"935427"	200.992213	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-H+Cl"	33.962126
"276533"	771.014002	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+Cl"	34.969402
"669686"	1139.036302	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+Cl"	34.969402
"1283180"	402.991702	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Cl"	34.969402
"22821"	772.993206	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M-2H+K"	36.948606
"462381"	1141.015506	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M-2H+K"	36.948606
"839089"	404.970906	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-2H+K"	36.948606
"1563670"	404.970906	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+K-2H"	36.948606
"955566"	413.020494	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-H+HCOOH"	44.998194
"373425"	781.042801	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+HCOOH-H"	44.998201
"359865"	795.058451	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+Hac-H"	59.013851
"1504685"	427.036151	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Hac-H"	59.013851
"970406"	435.002451	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-H+NaCOOH"	66.980151
"125231"	402.991702	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+2Cl"	69.938804
"565657"	587.002852	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+2Cl"	69.938804
"1034965"	218.980552	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2Cl"	69.938804
"1257030"	446.941185	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Br"	78.918885
"1316991"	448.997172	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Cl+HCOOH"	80.974872
"1332302"	470.979129	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Cl+NaCOOH"	102.956829
"923358"	481.007886	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M-H+CF3COOH"	112.985586
"1300067"	516.984564	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Cl+CF3COOH"	148.962264
"1374947"	333.009624	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H-2H2O"	-35.012676
"1391350"	351.0196	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H-H2O"	-17.0027
"293224"	737.051876	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+H"	1.007276
"680178"	1105.074176	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+H"	1.007276
"1355433"	369.029576	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H"	1.007276
"137075"	369.029576	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+2H"	2.014552
"568980"	553.040726	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+2H"	2.014552
"1040332"	185.018426	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2H"	2.014552
"209325"	246.355476	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+3H"	3.021828
"648520"	369.029576	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+3H"	3.021828
"1173210"	123.681376	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+3H"	3.021828
"433199"	754.078423	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+NH4"	18.033823
"794197"	1122.100723	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+NH4"	18.033823
"1691619"	386.056123	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+NH4"	18.033823
"334429"	377.5428495	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+H+NH4"	19.041099
"727944"	561.5539995	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+H+NH4"	19.041099
"1481043"	193.5316995	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H+NH4"	19.041099
"395714"	759.033818	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+Na"	22.989218
"757079"	1127.056118	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+Na"	22.989218
"1606269"	391.011518	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Na"	22.989218
"315578"	380.020547	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+H+Na"	23.996494
"712007"	564.031697	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+H+Na"	23.996494
"1464362"	196.009397	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H+Na"	23.996494
"1059072"	131.00869	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2H+Na"	25.00377
"1260752"	401.055786	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+CH3OH+H"	33.033486
"382606"	775.007758	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+K"	38.963158
"745788"	1143.030058	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+K"	38.963158
"1547839"	406.985458	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+K"	38.963158
"303920"	388.007517	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+H+K"	39.970434
"693422"	572.018667	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+H+K"	39.970434
"1450159"	203.996367	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H+K"	39.970434
"237667"	778.078426	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+ACN+H"	42.033826
"1211465"	410.056126	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+ACN+H"	42.033826
"1195712"	205.531701	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+ACN+2H"	43.041102
"190164"	781.01576	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+2Na-H"	44.97116
"628527"	1149.03806	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+2Na-H"	44.97116
"1134580"	412.99346	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2Na-H"	44.97116
"173859"	391.011518	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+2Na"	45.978436
"613420"	575.022668	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+2Na"	45.978436
"1118386"	207.000368	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2Na"	45.978436
"1398910"	138.336004	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H+2Na"	46.985712
"1436578"	415.035046	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H+HCOOH"	47.012746
"224086"	396.04454	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+3H2O+2H"	56.04448
"1508578"	429.08709	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+IsoProp+H"	61.06479
"408666"	398.998488	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+Na+K"	61.952376
"769960"	583.009638	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+Na+K"	61.952376
"1665666"	214.987338	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Na+K"	61.952376
"251515"	800.060368	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+ACN+Na"	64.015768
"1226162"	432.038068	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+ACN+Na"	64.015768
"1712900"	432.061593	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+NH4+HCOOH"	64.039293
"1182630"	145.663318	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+3Na"	68.967654
"1651796"	437.016988	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Na+HCOOH"	68.994688
"159385"	812.96364	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+2K-H"	76.91904
"598580"	1180.98594	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+2K-H"	76.91904
"1088925"	444.94134	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2K-H"	76.91904
"145740"	406.985458	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"2M+2K"	77.926316
"582749"	590.996608	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"3M+2K"	77.926316
"1079676"	222.974308	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2K"	77.926316
"1114343"	446.955892	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2K+H"	78.933592
"1347082"	447.043507	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+DMSO+H"	79.021207
"1012329"	451.082676	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2ACN+H"	83.060376
"1533731"	452.076308	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+IsoProp+Na+H"	84.054008
"994710"	226.044976	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+2ACN+2H"	84.067652
"1595776"	452.990928	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+K+HCOOH"	84.968628
"1419248"	483.022438	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+H+CF3COOH"	115.000138
"1149536"	246.558251	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+3ACN+2H"	125.094202
"1707838"	500.048985	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+NH4+CF3COOH"	132.026685
"1642396"	505.00438	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+Na+CF3COOH"	136.98208
"1580234"	520.97832	"C18729"	"Fentin hydroxide;Fentin"	"C18H16OSn"	"368.0223"	"M+K+CF3COOH"	152.95602
"807321"	355.0547	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M"	0
"976479"	336.03631	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-H2O-H"	-19.01839
"65813"	235.695857333333	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M-3H"	-3.021828
"509749"	354.047424	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M-3H"	-3.021828
"884271"	117.344290666667	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-3H"	-3.021828
"6128"	354.047424	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M-2H"	-2.014552
"446782"	531.574774	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M-2H"	-2.014552
"822397"	176.520074	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-2H"	-2.014552
"84581"	709.102124	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M-H"	-1.007276
"520861"	1064.156824	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M-H"	-1.007276
"909609"	354.047424	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-H"	-1.007276
"51954"	726.128671	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M-2H+NH4"	16.019271
"494794"	1081.183371	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M-2H+NH4"	16.019271
"873691"	371.073971	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-2H+NH4"	16.019271
"41590"	731.084066	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M-2H+Na"	20.974666
"481879"	1086.138766	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M-2H+Na"	20.974666
"856763"	376.029366	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-2H+Na"	20.974666
"1625202"	376.029366	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Na-2H"	20.974666
"101731"	372.035763	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M-H+Cl"	33.962126
"543481"	549.563113	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M-H+Cl"	33.962126
"934808"	194.508413	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-H+Cl"	33.962126
"274457"	745.078802	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+Cl"	34.969402
"669065"	1100.133502	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+Cl"	34.969402
"1281468"	390.024102	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Cl"	34.969402
"23661"	747.058006	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M-2H+K"	36.948606
"464678"	1102.112706	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M-2H+K"	36.948606
"841386"	392.003306	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-2H+K"	36.948606
"1564874"	392.003306	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+K-2H"	36.948606
"948386"	400.052894	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-H+HCOOH"	44.998194
"374264"	755.107601	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+HCOOH-H"	44.998201
"359610"	769.123251	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+Hac-H"	59.013851
"1506254"	414.068551	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Hac-H"	59.013851
"970880"	422.034851	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-H+NaCOOH"	66.980151
"125462"	390.024102	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+2Cl"	69.938804
"565356"	567.551452	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+2Cl"	69.938804
"1035439"	212.496752	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2Cl"	69.938804
"1253194"	433.973585	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Br"	78.918885
"1317829"	436.029572	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Cl+HCOOH"	80.974872
"1333503"	458.011529	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Cl+NaCOOH"	102.956829
"923468"	468.040286	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M-H+CF3COOH"	112.985586
"1299084"	504.016964	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Cl+CF3COOH"	148.962264
"1378337"	320.042024	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H-2H2O"	-35.012676
"1388180"	338.052	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H-H2O"	-17.0027
"295521"	711.116676	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+H"	1.007276
"682475"	1066.171376	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+H"	1.007276
"1355543"	356.061976	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H"	1.007276
"139372"	356.061976	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+2H"	2.014552
"576744"	533.589326	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+2H"	2.014552
"1048825"	178.534626	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2H"	2.014552
"213445"	237.710409333333	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+3H"	3.021828
"648631"	356.061976	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+3H"	3.021828
"1176601"	119.358842666667	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+3H"	3.021828
"432216"	728.143223	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+NH4"	18.033823
"798682"	1083.197923	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+NH4"	18.033823
"1695009"	373.088523	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+NH4"	18.033823
"335633"	364.5752495	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+H+NH4"	19.041099
"731334"	542.1025995	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+H+NH4"	19.041099
"1486257"	187.0478995	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H+NH4"	19.041099
"395098"	733.098618	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+Na"	22.989218
"758282"	1088.153318	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+Na"	22.989218
"1608567"	378.043918	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Na"	22.989218
"318604"	367.052947	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+H+Na"	23.996494
"713211"	544.580297	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+H+Na"	23.996494
"1471404"	189.525597	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H+Na"	23.996494
"1065742"	126.686156666667	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2H+Na"	25.00377
"1269609"	388.088186	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+CH3OH+H"	33.033486
"385996"	749.072558	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+K"	38.963158
"751364"	1104.127258	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+K"	38.963158
"1549042"	394.017858	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+K"	38.963158
"304030"	375.039917	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+H+K"	39.970434
"695355"	552.567267	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+H+K"	39.970434
"1452455"	197.512567	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H+K"	39.970434
"238873"	752.143226	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+ACN+H"	42.033826
"1211579"	397.088526	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+ACN+H"	42.033826
"1196553"	199.047901	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+ACN+2H"	43.041102
"190517"	755.08056	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+2Na-H"	44.97116
"628634"	1110.13526	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+2Na-H"	44.97116
"1134690"	400.02586	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2Na-H"	44.97116
"176886"	378.043918	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+2Na"	45.978436
"616083"	555.571268	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+2Na"	45.978436
"1124328"	200.516568	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2Na"	45.978436
"1402749"	134.013470666667	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H+2Na"	46.985712
"1433772"	402.067446	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H+HCOOH"	47.012746
"225289"	383.07694	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+3H2O+2H"	56.04448
"1509343"	416.11949	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+IsoProp+H"	61.06479
"408669"	386.030888	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+Na+K"	61.952376
"770218"	563.558238	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+Na+K"	61.952376
"1665638"	208.503538	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Na+K"	61.952376
"251517"	774.125168	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+ACN+Na"	64.015768
"1226064"	419.070468	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+ACN+Na"	64.015768
"1713617"	419.093993	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+NH4+HCOOH"	64.039293
"1183832"	141.340784666667	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+3Na"	68.967654
"1652633"	424.049388	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Na+HCOOH"	68.994688
"161681"	787.02844	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+2K-H"	76.91904
"600148"	1142.08314	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+2K-H"	76.91904
"1090129"	431.97374	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2K-H"	76.91904
"145850"	394.017858	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"2M+2K"	77.926316
"584318"	571.545208	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"3M+2K"	77.926316
"1075406"	216.490508	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2K"	77.926316
"1104241"	433.988292	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2K+H"	78.933592
"1337587"	434.075907	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+DMSO+H"	79.021207
"1011342"	438.115076	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2ACN+H"	83.060376
"1527279"	439.108708	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+IsoProp+Na+H"	84.054008
"990686"	219.561176	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+2ACN+2H"	84.067652
"1588230"	440.023328	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+K+HCOOH"	84.968628
"1419358"	470.054838	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+H+CF3COOH"	115.000138
"1147580"	240.074451	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+3ACN+2H"	125.094202
"1701388"	487.081385	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+NH4+CF3COOH"	132.026685
"1639226"	492.03678	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+Na+CF3COOH"	136.98208
"1577064"	508.01072	"C18730"	"Fluchloralin"	"C12H13ClF3N3O4"	"355.0547"	"M+K+CF3COOH"	152.95602
"807431"	363.0665	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M"	0
"977682"	344.04811	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-H2O-H"	-19.01839
"72485"	241.037057333333	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M-3H"	-3.021828
"514233"	362.059224	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M-3H"	-3.021828
"892036"	120.014890666667	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-3H"	-3.021828
"6235"	362.059224	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M-2H"	-2.014552
"452359"	543.592474	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M-2H"	-2.014552
"824693"	180.525974	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-2H"	-2.014552
"83598"	725.125724	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M-H"	-1.007276
"524251"	1088.192224	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M-H"	-1.007276
"905341"	362.059224	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-H"	-1.007276
"50967"	742.152271	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M-2H+NH4"	16.019271
"494540"	1105.218771	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M-2H+NH4"	16.019271
"873801"	379.085771	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-2H+NH4"	16.019271
"39513"	747.107666	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M-2H+Na"	20.974666
"480895"	1110.174166	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M-2H+Na"	20.974666
"853593"	384.041166	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-2H+Na"	20.974666
"1626406"	384.041166	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Na-2H"	20.974666
"100748"	380.047563	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M-H+Cl"	33.962126
"543591"	561.580813	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M-H+Cl"	33.962126
"934918"	198.514313	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-H+Cl"	33.962126
"274567"	761.102402	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+Cl"	34.969402
"666989"	1124.168902	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+Cl"	34.969402
"1281578"	398.035902	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Cl"	34.969402
"25228"	763.081606	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M-2H+K"	36.948606
"466975"	1126.148106	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M-2H+K"	36.948606
"843685"	400.015106	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-2H+K"	36.948606
"1567170"	400.015106	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+K-2H"	36.948606
"956152"	408.064694	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-H+HCOOH"	44.998194
"373275"	771.131201	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+HCOOH-H"	44.998201
"357532"	785.146851	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+Hac-H"	59.013851
"1505632"	422.080351	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Hac-H"	59.013851
"969531"	430.046651	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-H+NaCOOH"	66.980151
"122453"	398.035902	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+2Cl"	69.938804
"563107"	579.569152	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+2Cl"	69.938804
"1035549"	216.502652	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2Cl"	69.938804
"1253304"	441.985385	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Br"	78.918885
"1317210"	444.041372	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Cl+HCOOH"	80.974872
"1334343"	466.023329	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Cl+NaCOOH"	102.956829
"923578"	476.052086	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M-H+CF3COOH"	112.985586
"1300287"	512.028764	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Cl+CF3COOH"	148.962264
"1376261"	328.053824	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H-2H2O"	-35.012676
"1385010"	346.0638	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H-H2O"	-17.0027
"292351"	727.140276	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+H"	1.007276
"680398"	1090.206776	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+H"	1.007276
"1352737"	364.073776	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H"	1.007276
"139482"	364.073776	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+2H"	2.014552
"570294"	545.607026	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+2H"	2.014552
"1048935"	182.540526	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2H"	2.014552
"211368"	243.051609333333	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+3H"	3.021828
"649834"	364.073776	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+3H"	3.021828
"1174523"	122.029442666667	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+3H"	3.021828
"432326"	744.166823	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+NH4"	18.033823
"795511"	1107.233323	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+NH4"	18.033823
"1691839"	381.100323	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+NH4"	18.033823
"332461"	372.5870495	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+H+NH4"	19.041099
"727070"	554.1202995	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+H+NH4"	19.041099
"1488555"	191.0537995	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H+NH4"	19.041099
"394844"	749.122218	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+Na"	22.989218
"761673"	1112.188718	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+Na"	22.989218
"1609770"	386.055718	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Na"	22.989218
"319807"	375.064747	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+H+Na"	23.996494
"718789"	556.597997	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+H+Na"	23.996494
"1471515"	193.531497	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H+Na"	23.996494
"1065852"	129.356756666667	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2H+Na"	25.00377
"1268625"	396.099986	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+CH3OH+H"	33.033486
"386106"	765.096158	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+K"	38.963158
"749287"	1128.162658	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+K"	38.963158
"1549152"	402.029658	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+K"	38.963158
"304139"	383.051717	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+H+K"	39.970434
"699838"	564.584967	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+H+K"	39.970434
"1452565"	201.518467	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H+K"	39.970434
"244450"	768.166826	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+ACN+H"	42.033826
"1214970"	405.100326	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+ACN+H"	42.033826
"1199946"	203.053801	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+ACN+2H"	43.041102
"192817"	771.10416	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+2Na-H"	44.97116
"630565"	1134.17066	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+2Na-H"	44.97116
"1138080"	408.03766	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2Na-H"	44.97116
"182463"	386.055718	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+2Na"	45.978436
"618380"	567.588968	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+2Na"	45.978436
"1125532"	204.522468	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2Na"	45.978436
"1410149"	136.684070666667	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H+2Na"	46.985712
"1436798"	410.079246	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H+HCOOH"	47.012746
"228679"	391.08874	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+3H2O+2H"	56.04448
"1510546"	424.13129	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+IsoProp+H"	61.06479
"409745"	394.042688	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+Na+K"	61.952376
"771344"	575.575938	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+Na+K"	61.952376
"1667195"	212.509438	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Na+K"	61.952376
"254438"	790.148768	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+ACN+Na"	64.015768
"1228241"	427.082268	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+ACN+Na"	64.015768
"1716763"	427.105793	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+NH4+HCOOH"	64.039293
"1186129"	144.011384666667	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+3Na"	68.967654
"1657118"	432.061188	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Na+HCOOH"	68.994688
"167259"	803.05204	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+2K-H"	76.91904
"604632"	1166.11854	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+2K-H"	76.91904
"1091332"	439.98554	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2K-H"	76.91904
"148147"	402.029658	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"2M+2K"	77.926316
"586615"	583.562908	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"3M+2K"	77.926316
"1072234"	220.496408	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2K"	77.926316
"1100455"	442.000092	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2K+H"	78.933592
"1336597"	442.087707	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+DMSO+H"	79.021207
"1010352"	446.126876	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2ACN+H"	83.060376
"1525073"	447.120508	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+IsoProp+Na+H"	84.054008
"990429"	223.567076	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+2ACN+2H"	84.067652
"1587972"	448.035128	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+K+HCOOH"	84.968628
"1416187"	478.066638	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+H+CF3COOH"	115.000138
"1148662"	244.080351	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+3ACN+2H"	125.094202
"1704778"	495.093185	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+NH4+CF3COOH"	132.026685
"1636055"	500.04858	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+Na+CF3COOH"	136.98208
"1571706"	516.02252	"C18731"	"Flufenacet"	"C14H13F4N3O2S"	"363.0665"	"M+K+CF3COOH"	152.95602
"807541"	419.002	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M"	0
"978156"	399.98361	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-H2O-H"	-19.01839
"69315"	278.327390666667	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M-3H"	-3.021828
"514344"	417.994724	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M-3H"	-3.021828
"892146"	138.660057333333	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-3H"	-3.021828
"7438"	417.994724	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M-2H"	-2.014552
"448095"	627.495724	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M-2H"	-2.014552
"820064"	208.493724	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-2H"	-2.014552
"83708"	836.996724	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M-H"	-1.007276
"524361"	1255.998724	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M-H"	-1.007276
"905451"	417.994724	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-H"	-1.007276
"52170"	854.023271	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M-2H+NH4"	16.019271
"496835"	1273.025271	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M-2H+NH4"	16.019271
"873911"	435.021271	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-2H+NH4"	16.019271
"39623"	858.978666	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M-2H+Na"	20.974666
"480276"	1277.980666	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M-2H+Na"	20.974666
"853703"	439.976666	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-2H+Na"	20.974666
"1625423"	439.976666	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Na-2H"	20.974666
"100858"	435.983063	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M-H+Cl"	33.962126
"541514"	645.484063	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M-H+Cl"	33.962126
"933934"	226.482063	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-H+Cl"	33.962126
"273584"	872.973402	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+Cl"	34.969402
"667099"	1291.975402	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+Cl"	34.969402
"1281688"	453.971402	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Cl"	34.969402
"25338"	874.952606	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M-2H+K"	36.948606
"467085"	1293.954606	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M-2H+K"	36.948606
"843795"	455.950606	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-2H+K"	36.948606
"1564000"	455.950606	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+K-2H"	36.948606
"951883"	464.000194	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-H+HCOOH"	44.998194
"373021"	883.002201	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+HCOOH-H"	44.998201
"358370"	897.017851	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+Hac-H"	59.013851
"1506108"	478.015851	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Hac-H"	59.013851
"970006"	485.982151	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-H+NaCOOH"	66.980151
"121105"	453.971402	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+2Cl"	69.938804
"562123"	663.472402	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+2Cl"	69.938804
"1035295"	244.470402	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2Cl"	69.938804
"1252320"	497.920885	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Br"	78.918885
"1317685"	499.976872	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Cl+HCOOH"	80.974872
"1334940"	521.958829	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Cl+NaCOOH"	102.956829
"921501"	531.987586	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M-H+CF3COOH"	112.985586
"1298210"	567.964264	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Cl+CF3COOH"	148.962264
"1371997"	383.989324	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H-2H2O"	-35.012676
"1385843"	401.9993	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H-H2O"	-17.0027
"285899"	839.011276	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+H"	1.007276
"679409"	1258.013276	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+H"	1.007276
"1353576"	420.009276	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H"	1.007276
"138499"	420.009276	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+2H"	2.014552
"572590"	629.510276	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+2H"	2.014552
"1046859"	210.508276	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2H"	2.014552
"211478"	280.341942666667	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+3H"	3.021828
"648851"	420.009276	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+3H"	3.021828
"1174633"	140.674609333333	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+3H"	3.021828
"429156"	856.037823	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+NH4"	18.033823
"795620"	1275.039823	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+NH4"	18.033823
"1688669"	437.035823	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+NH4"	18.033823
"330749"	428.5225495	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+H+NH4"	19.041099
"726087"	638.0235495	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+H+NH4"	19.041099
"1488665"	219.0215495	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H+NH4"	19.041099
"397507"	860.993218	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+Na"	22.989218
"763970"	1279.995218	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+Na"	22.989218
"1609880"	441.991218	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Na"	22.989218
"319917"	431.000247	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+H+Na"	23.996494
"716712"	640.501247	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+H+Na"	23.996494
"1470531"	221.499247	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H+Na"	23.996494
"1066691"	148.001923333333	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2H+Na"	25.00377
"1269828"	452.035486	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+CH3OH+H"	33.033486
"386216"	876.967158	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+K"	38.963158
"749397"	1295.969158	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+K"	38.963158
"1549262"	457.965158	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+K"	38.963158
"304249"	438.987217	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+H+K"	39.970434
"699948"	648.488217	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+H+K"	39.970434
"1449396"	229.486217	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H+K"	39.970434
"244560"	880.037826	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+ACN+H"	42.033826
"1213988"	461.035826	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+ACN+H"	42.033826
"1201150"	231.021551	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+ACN+2H"	43.041102
"189405"	882.97516	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+2Na-H"	44.97116
"632498"	1301.97716	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+2Na-H"	44.97116
"1140377"	463.97316	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2Na-H"	44.97116
"182573"	441.991218	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+2Na"	45.978436
"623229"	651.492218	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+2Na"	45.978436
"1125642"	232.490218	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2Na"	45.978436
"1410259"	155.329237333333	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H+2Na"	46.985712
"1440188"	466.014746	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H+HCOOH"	47.012746
"229883"	447.02424	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+3H2O+2H"	56.04448
"1511386"	480.06679	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+IsoProp+H"	61.06479
"411072"	449.978188	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+Na+K"	61.952376
"771335"	659.479188	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+Na+K"	61.952376
"1668520"	240.477188	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Na+K"	61.952376
"253092"	902.019768	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+ACN+Na"	64.015768
"1227624"	483.017768	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+ACN+Na"	64.015768
"1716513"	483.041293	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+NH4+HCOOH"	64.039293
"1185146"	162.656551333333	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+3Na"	68.967654
"1659414"	487.996688	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Na+HCOOH"	68.994688
"166276"	914.92304	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+2K-H"	76.91904
"604742"	1333.92504	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+2K-H"	76.91904
"1092536"	495.92104	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2K-H"	76.91904
"150443"	457.965158	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"2M+2K"	77.926316
"584539"	667.466158	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"3M+2K"	77.926316
"1073437"	248.464158	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2K"	77.926316
"1101783"	497.935592	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2K+H"	78.933592
"1338652"	498.023207	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+DMSO+H"	79.021207
"1010459"	502.062376	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2ACN+H"	83.060376
"1525550"	503.056008	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+IsoProp+Na+H"	84.054008
"991513"	251.534826	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+2ACN+2H"	84.067652
"1588080"	503.970628	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+K+HCOOH"	84.968628
"1415566"	534.002138	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+H+CF3COOH"	115.000138
"1148042"	272.048101	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+3ACN+2H"	125.094202
"1704888"	551.028685	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+NH4+CF3COOH"	132.026685
"1639445"	555.98408	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+Na+CF3COOH"	136.98208
"1572180"	571.95802	"C18732"	"Fluoroglycofen"	"C16H9ClF3NO7"	"419.002"	"M+K+CF3COOH"	152.95602
"807651"	315.1003	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M"	0
"978995"	296.08191	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-H2O-H"	-19.01839
"69425"	209.059590666667	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M-3H"	-3.021828
"514454"	314.093024	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M-3H"	-3.021828
"892256"	104.026157333333	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-3H"	-3.021828
"7548"	314.093024	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M-2H"	-2.014552
"448205"	471.643174	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M-2H"	-2.014552
"821996"	156.542874	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-2H"	-2.014552
"83818"	629.193324	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M-H"	-1.007276
"524471"	944.293624	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M-H"	-1.007276
"907748"	314.093024	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-H"	-1.007276
"55560"	646.219871	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M-2H+NH4"	16.019271
"495122"	961.320171	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M-2H+NH4"	16.019271
"868548"	331.119571	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-2H+NH4"	16.019271
"41553"	651.175266	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M-2H+Na"	20.974666
"480386"	966.275566	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M-2H+Na"	20.974666
"855999"	336.074966	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-2H+Na"	20.974666
"1624440"	336.074966	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Na-2H"	20.974666
"98782"	332.081363	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M-H+Cl"	33.962126
"542717"	489.631513	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M-H+Cl"	33.962126
"934044"	174.531213	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-H+Cl"	33.962126
"272601"	665.170002	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+Cl"	34.969402
"666116"	980.270302	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+Cl"	34.969402
"1281798"	350.069702	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Cl"	34.969402
"25448"	667.149206	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M-2H+K"	36.948606
"468288"	982.249506	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M-2H+K"	36.948606
"843905"	352.048906	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-2H+K"	36.948606
"1564109"	352.048906	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+K-2H"	36.948606
"953086"	360.098494	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-H+HCOOH"	44.998194
"374223"	675.198801	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+HCOOH-H"	44.998201
"358480"	689.214451	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+Hac-H"	59.013851
"1507310"	374.114151	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Hac-H"	59.013851
"970479"	382.080451	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-H+NaCOOH"	66.980151
"123400"	350.069702	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+2Cl"	69.938804
"564785"	507.619852	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+2Cl"	69.938804
"1033217"	192.519552	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2Cl"	69.938804
"1252430"	394.019185	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Br"	78.918885
"1316336"	396.075172	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Cl+HCOOH"	80.974872
"1328364"	418.057129	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Cl+NaCOOH"	102.956829
"922704"	428.085886	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M-H+CF3COOH"	112.985586
"1298320"	464.062564	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Cl+CF3COOH"	148.962264
"1372107"	280.087624	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H-2H2O"	-35.012676
"1383237"	298.0976	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H-H2O"	-17.0027
"286009"	631.207876	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+H"	1.007276
"676724"	946.308176	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+H"	1.007276
"1354042"	316.107576	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H"	1.007276
"138609"	316.107576	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+2H"	2.014552
"569055"	473.657726	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+2H"	2.014552
"1046969"	158.557426	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2H"	2.014552
"211588"	211.074142666667	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+3H"	3.021828
"648961"	316.107576	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+3H"	3.021828
"1174743"	106.040709333333	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+3H"	3.021828
"429266"	648.234423	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+NH4"	18.033823
"793544"	963.334723	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+NH4"	18.033823
"1688779"	333.134123	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+NH4"	18.033823
"332316"	324.6208495	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+H+NH4"	19.041099
"726197"	482.1709995	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+H+NH4"	19.041099
"1487681"	167.0706995	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H+NH4"	19.041099
"393607"	653.189818	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+Na"	22.989218
"758612"	968.290118	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+Na"	22.989218
"1612177"	338.089518	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Na"	22.989218
"315653"	327.098547	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+H+Na"	23.996494
"712447"	484.648697	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+H+Na"	23.996494
"1469548"	169.548397	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H+Na"	23.996494
"1062791"	113.368023333333	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2H+Na"	25.00377
"1265565"	348.133786	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+CH3OH+H"	33.033486
"385232"	669.163758	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+K"	38.963158
"746226"	984.264058	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+K"	38.963158
"1544998"	354.063458	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+K"	38.963158
"299983"	335.085517	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+H+K"	39.970434
"700058"	492.635667	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+H+K"	39.970434
"1449505"	177.535367	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H+K"	39.970434
"237380"	672.234426	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+ACN+H"	42.033826
"1210450"	357.134126	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+ACN+H"	42.033826
"1199073"	179.070701	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+ACN+2H"	43.041102
"191211"	675.17176	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+2Na-H"	44.97116
"630405"	990.27206	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+2Na-H"	44.97116
"1138299"	360.07146	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2Na-H"	44.97116
"177215"	338.089518	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+2Na"	45.978436
"621153"	495.639668	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+2Na"	45.978436
"1126845"	180.539368	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2Na"	45.978436
"1407089"	120.695337333333	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H+2Na"	46.985712
"1442485"	362.113046	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H+HCOOH"	47.012746
"232180"	343.12254	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+3H2O+2H"	56.04448
"1510765"	376.16509	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+IsoProp+H"	61.06479
"410815"	346.076488	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+Na+K"	61.952376
"772538"	503.626638	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+Na+K"	61.952376
"1670694"	188.526338	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Na+K"	61.952376
"253931"	694.216368	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+ACN+Na"	64.015768
"1228830"	379.116068	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+ACN+Na"	64.015768
"1718810"	379.139593	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+NH4+HCOOH"	64.039293
"1184163"	128.022651333333	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+3Na"	68.967654
"1657337"	384.094988	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Na+HCOOH"	68.994688
"164198"	707.11964	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+2K-H"	76.91904
"605944"	1022.21994	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+2K-H"	76.91904
"1087177"	392.01934	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2K-H"	76.91904
"148367"	354.063458	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"2M+2K"	77.926316
"583188"	511.613608	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"3M+2K"	77.926316
"1077921"	196.513308	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2K"	77.926316
"1102380"	394.033892	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2K+H"	78.933592
"1340583"	394.121507	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+DMSO+H"	79.021207
"1010569"	398.160676	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2ACN+H"	83.060376
"1526146"	399.154308	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+IsoProp+Na+H"	84.054008
"992231"	199.583976	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+2ACN+2H"	84.067652
"1588677"	400.068928	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+K+HCOOH"	84.968628
"1416405"	430.100438	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+H+CF3COOH"	115.000138
"1147422"	220.097251	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+3ACN+2H"	125.094202
"1704998"	447.126985	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+NH4+CF3COOH"	132.026685
"1639555"	452.08238	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+Na+CF3COOH"	136.98208
"1573019"	468.05632	"C18733"	"Flusilazole"	"C16H15F2N3Si"	"315.1003"	"M+K+CF3COOH"	152.95602
"807761"	301.1027	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M"	0
"983480"	282.08431	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-H2O-H"	-19.01839
"73909"	199.727857333333	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M-3H"	-3.021828
"517118"	300.095424	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M-3H"	-3.021828
"894195"	99.3602906666667	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-3H"	-3.021828
"6567"	300.095424	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M-2H"	-2.014552
"443213"	450.646774	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M-2H"	-2.014552
"821742"	149.544074	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-2H"	-2.014552
"80648"	601.198124	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M-H"	-1.007276
"518562"	902.300824	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M-H"	-1.007276
"908588"	300.095424	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-H"	-1.007276
"54577"	618.224671	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M-2H+NH4"	16.019271
"497784"	919.327371	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M-2H+NH4"	16.019271
"868658"	317.121971	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-2H+NH4"	16.019271
"38747"	623.180066	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M-2H+Na"	20.974666
"477217"	924.282766	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M-2H+Na"	20.974666
"856111"	322.077366	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-2H+Na"	20.974666
"1623456"	322.077366	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Na-2H"	20.974666
"98892"	318.083763	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M-H+Cl"	33.962126
"542827"	468.635113	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M-H+Cl"	33.962126
"933060"	167.532413	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-H+Cl"	33.962126
"275992"	637.174802	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+Cl"	34.969402
"668412"	938.277502	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+Cl"	34.969402
"1284826"	336.072102	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Cl"	34.969402
"29207"	639.154006	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M-2H+K"	36.948606
"467306"	940.256706	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M-2H+K"	36.948606
"841828"	338.051306	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-2H+K"	36.948606
"1565315"	338.051306	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+K-2H"	36.948606
"951010"	346.100894	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-H+HCOOH"	44.998194
"372876"	647.203601	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+HCOOH-H"	44.998201
"358590"	661.219251	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+Hac-H"	59.013851
"1506329"	360.116551	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Hac-H"	59.013851
"969497"	368.082851	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-H+NaCOOH"	66.980151
"122782"	336.072102	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+2Cl"	69.938804
"564166"	486.623452	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+2Cl"	69.938804
"1033327"	185.520752	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2Cl"	69.938804
"1251447"	380.021585	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Br"	78.918885
"1315353"	382.077572	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Cl+HCOOH"	80.974872
"1328474"	404.059529	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Cl+NaCOOH"	102.956829
"922814"	414.088286	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M-H+CF3COOH"	112.985586
"1302077"	450.064964	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Cl+CF3COOH"	148.962264
"1372218"	266.090024	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H-2H2O"	-35.012676
"1385339"	284.1	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H-H2O"	-17.0027
"283932"	603.212676	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+H"	1.007276
"676470"	904.315376	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+H"	1.007276
"1357068"	302.109976	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H"	1.007276
"140786"	302.109976	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+2H"	2.014552
"579374"	452.661326	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+2H"	2.014552
"1050360"	151.558626	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2H"	2.014552
"213885"	201.742409333333	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+3H"	3.021828
"652351"	302.109976	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+3H"	3.021828
"1173760"	101.374842666667	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+3H"	3.021828
"428283"	620.239223	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+NH4"	18.033823
"794748"	921.341923	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+NH4"	18.033823
"1687796"	319.136523	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+NH4"	18.033823
"331698"	310.6232495	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+H+NH4"	19.041099
"726306"	461.1745995	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+H+NH4"	19.041099
"1485605"	160.0718995	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H+NH4"	19.041099
"395540"	625.194618	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+Na"	22.989218
"759814"	926.297318	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+Na"	22.989218
"1613379"	324.091918	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Na"	22.989218
"316857"	313.100947	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+H+Na"	23.996494
"713650"	463.652297	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+H+Na"	23.996494
"1469658"	162.549597	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H+Na"	23.996494
"1062901"	108.702156666667	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2H+Na"	25.00377
"1267861"	334.136186	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+CH3OH+H"	33.033486
"385342"	641.168558	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+K"	38.963158
"746336"	942.271258	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+K"	38.963158
"1546201"	340.065858	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+K"	38.963158
"301188"	321.087917	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+H+K"	39.970434
"699075"	471.639267	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+H+K"	39.970434
"1448522"	170.536567	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H+K"	39.970434
"237125"	644.239226	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+ACN+H"	42.033826
"1210682"	343.136526	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+ACN+H"	42.033826
"1195536"	172.071901	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+ACN+2H"	43.041102
"189865"	647.17656	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+2Na-H"	44.97116
"629790"	948.27926	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+2Na-H"	44.97116
"1131592"	346.07386	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2Na-H"	44.97116
"179514"	324.091918	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+2Na"	45.978436
"621263"	474.643268	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+2Na"	45.978436
"1120396"	173.540568	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2Na"	45.978436
"1402826"	116.029470666667	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H+2Na"	46.985712
"1438222"	348.115446	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H+HCOOH"	47.012746
"227918"	329.12494	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+3H2O+2H"	56.04448
"1510147"	362.16749	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+IsoProp+H"	61.06479
"412749"	332.078888	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+Na+K"	61.952376
"770462"	482.630238	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+Na+K"	61.952376
"1670805"	181.527538	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Na+K"	61.952376
"256232"	666.221168	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+ACN+Na"	64.015768
"1233314"	365.118468	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+ACN+Na"	64.015768
"1721107"	365.141993	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+NH4+HCOOH"	64.039293
"1186459"	123.356784666667	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+3Na"	68.967654
"1660728"	370.097388	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Na+HCOOH"	68.994688
"171478"	679.12444	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+2K-H"	76.91904
"606057"	980.22714	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+2K-H"	76.91904
"1091662"	378.02174	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2K-H"	76.91904
"149570"	340.065858	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"2M+2K"	77.926316
"588039"	490.617208	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"3M+2K"	77.926316
"1078031"	189.514508	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2K"	77.926316
"1101639"	380.036292	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2K+H"	78.933592
"1337780"	380.123907	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+DMSO+H"	79.021207
"1008495"	384.163076	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2ACN+H"	83.060376
"1525042"	385.156708	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+IsoProp+Na+H"	84.054008
"991369"	192.585176	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+2ACN+2H"	84.067652
"1588667"	386.071328	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+K+HCOOH"	84.968628
"1416517"	416.102838	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+H+CF3COOH"	115.000138
"1147898"	213.098451	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+3ACN+2H"	125.094202
"1705108"	433.129385	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+NH4+CF3COOH"	132.026685
"1646228"	438.08478	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+Na+CF3COOH"	136.98208
"1577505"	454.05872	"C18734"	"Flutriafol"	"C16H13F2N3O"	"301.1027"	"M+K+CF3COOH"	152.95602
"808964"	309.038	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M"	0
"983590"	290.01961	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-H2O-H"	-19.01839
"70739"	205.018057333333	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M-3H"	-3.021828
"517594"	308.030724	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M-3H"	-3.021828
"895316"	102.005390666667	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-3H"	-3.021828
"15021"	308.030724	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M-2H"	-2.014552
"444052"	462.549724	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M-2H"	-2.014552
"821852"	153.511724	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-2H"	-2.014552
"80758"	617.068724	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M-H"	-1.007276
"519828"	926.106724	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M-H"	-1.007276
"909186"	308.030724	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-H"	-1.007276
"55779"	634.095271	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M-2H+NH4"	16.019271
"498987"	943.133271	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M-2H+NH4"	16.019271
"870954"	325.057271	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-2H+NH4"	16.019271
"42865"	639.050666	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M-2H+Na"	20.974666
"479512"	948.088666	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M-2H+Na"	20.974666
"858406"	330.012666	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-2H+Na"	20.974666
"1627938"	330.012666	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Na-2H"	20.974666
"104102"	326.019063	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M-H+Cl"	33.962126
"544030"	480.538063	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M-H+Cl"	33.962126
"937178"	171.500063	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-H+Cl"	33.962126
"277194"	653.045402	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+Cl"	34.969402
"670708"	962.083402	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+Cl"	34.969402
"1286028"	344.007402	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Cl"	34.969402
"29559"	655.024606	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M-2H+K"	36.948606
"468506"	964.062606	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M-2H+K"	36.948606
"845215"	345.986606	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-2H+K"	36.948606
"1566514"	345.986606	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+K-2H"	36.948606
"953306"	354.036194	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-H+HCOOH"	44.998194
"368247"	663.074201	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+HCOOH-H"	44.998201
"359793"	677.089851	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+Hac-H"	59.013851
"1507532"	368.051851	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Hac-H"	59.013851
"970702"	376.018151	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-H+NaCOOH"	66.980151
"120705"	344.007402	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+2Cl"	69.938804
"561355"	498.526402	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+2Cl"	69.938804
"1034530"	189.488402	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2Cl"	69.938804
"1251556"	387.956885	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Br"	78.918885
"1318742"	390.012872	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Cl+HCOOH"	80.974872
"1329677"	411.994829	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Cl+NaCOOH"	102.956829
"925109"	422.023586	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M-H+CF3COOH"	112.985586
"1302794"	458.000264	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Cl+CF3COOH"	148.962264
"1372328"	274.025324	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H-2H2O"	-35.012676
"1386542"	292.0353	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H-H2O"	-17.0027
"284527"	619.083276	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+H"	1.007276
"678645"	928.121276	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+H"	1.007276
"1357178"	310.045276	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H"	1.007276
"140289"	310.045276	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+2H"	2.014552
"580213"	464.564276	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+2H"	2.014552
"1050470"	155.526276	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2H"	2.014552
"213995"	207.032609333333	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+3H"	3.021828
"653554"	310.045276	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+3H"	3.021828
"1174963"	104.019942666667	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+3H"	3.021828
"428027"	636.109823	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+NH4"	18.033823
"795950"	945.147823	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+NH4"	18.033823
"1688999"	327.071823	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+NH4"	18.033823
"332537"	318.5585495	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+H+NH4"	19.041099
"725687"	473.0775495	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+H+NH4"	19.041099
"1487901"	164.0395495	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H+NH4"	19.041099
"395648"	641.065218	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+Na"	22.989218
"758831"	950.103218	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+Na"	22.989218
"1613490"	332.027218	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Na"	22.989218
"320246"	321.036247	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+H+Na"	23.996494
"714854"	475.555247	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+H+Na"	23.996494
"1470861"	166.517247	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H+Na"	23.996494
"1064104"	111.347256666667	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2H+Na"	25.00377
"1267971"	342.071486	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+CH3OH+H"	33.033486
"387638"	657.039158	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+K"	38.963158
"745352"	966.077158	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+K"	38.963158
"1546311"	348.001158	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+K"	38.963158
"301298"	329.023217	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+H+K"	39.970434
"699185"	483.542217	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+H+K"	39.970434
"1448631"	174.504217	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H+K"	39.970434
"238328"	660.109826	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+ACN+H"	42.033826
"1213223"	351.071826	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+ACN+H"	42.033826
"1195161"	176.039551	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+ACN+2H"	43.041102
"190703"	663.04716	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+2Na-H"	44.97116
"630627"	972.08516	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+2Na-H"	44.97116
"1132191"	354.00916	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2Na-H"	44.97116
"179624"	332.027218	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+2Na"	45.978436
"620279"	486.546218	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+2Na"	45.978436
"1122693"	177.508218	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2Na"	45.978436
"1402936"	118.674570666667	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H+2Na"	46.985712
"1434322"	356.050746	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H+HCOOH"	47.012746
"228028"	337.06024	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+3H2O+2H"	56.04448
"1512442"	370.10279	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+IsoProp+H"	61.06479
"414682"	340.014188	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+Na+K"	61.952376
"778957"	494.533188	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+Na+K"	61.952376
"1669456"	185.495188	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Na+K"	61.952376
"261444"	682.091768	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+ACN+Na"	64.015768
"1232331"	373.053768	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+ACN+Na"	64.015768
"1721218"	373.077293	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+NH4+HCOOH"	64.039293
"1186569"	126.001884666667	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+3Na"	68.967654
"1660838"	378.032688	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Na+HCOOH"	68.994688
"168793"	694.99504	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+2K-H"	76.91904
"607260"	1004.03304	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+2K-H"	76.91904
"1095052"	385.95704	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2K-H"	76.91904
"150775"	348.001158	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"2M+2K"	77.926316
"592522"	502.520158	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"3M+2K"	77.926316
"1077046"	193.482158	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2K"	77.926316
"1102599"	387.971592	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2K+H"	78.933592
"1338251"	388.059207	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+DMSO+H"	79.021207
"1007145"	392.098376	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2ACN+H"	83.060376
"1525268"	393.092008	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+IsoProp+Na+H"	84.054008
"990626"	196.552826	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+2ACN+2H"	84.067652
"1589138"	394.006628	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+K+HCOOH"	84.968628
"1414799"	424.038138	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+H+CF3COOH"	115.000138
"1147115"	217.066101	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+3ACN+2H"	125.094202
"1705218"	441.064685	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+NH4+CF3COOH"	132.026685
"1646338"	446.02008	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+Na+CF3COOH"	136.98208
"1577615"	461.99402	"C18735"	"Fluxofenim"	"C12H11ClF3NO3"	"309.038"	"M+K+CF3COOH"	152.95602
"807981"	437.99	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M"	0
"981513"	418.97161	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-H2O-H"	-19.01839
"69756"	290.986057333333	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M-3H"	-3.021828
"515881"	436.982724	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M-3H"	-3.021828
"894410"	144.989390666667	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-3H"	-3.021828
"15522"	436.982724	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M-2H"	-2.014552
"443433"	655.977724	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M-2H"	-2.014552
"821962"	217.987724	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-2H"	-2.014552
"80868"	874.972724	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M-H"	-1.007276
"520182"	1312.962724	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M-H"	-1.007276
"904796"	436.982724	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-H"	-1.007276
"54796"	891.999271	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M-2H+NH4"	16.019271
"499097"	1329.989271	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M-2H+NH4"	16.019271
"871064"	454.009271	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-2H+NH4"	16.019271
"41152"	896.954666	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M-2H+Na"	20.974666
"480715"	1334.944666	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M-2H+Na"	20.974666
"857423"	458.964666	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-2H+Na"	20.974666
"1628048"	458.964666	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Na-2H"	20.974666
"95828"	454.971063	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M-H+Cl"	33.962126
"544140"	673.966063	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M-H+Cl"	33.962126
"936559"	235.976063	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-H+Cl"	33.962126
"276211"	910.949402	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+Cl"	34.969402
"669725"	1348.939402	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+Cl"	34.969402
"1285409"	472.959402	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Cl"	34.969402
"29426"	912.928606	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M-2H+K"	36.948606
"467523"	1350.918606	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M-2H+K"	36.948606
"845324"	474.938606	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-2H+K"	36.948606
"1566624"	474.938606	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+K-2H"	36.948606
"953416"	482.988194	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-H+HCOOH"	44.998194
"367263"	920.978201	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+HCOOH-H"	44.998201
"351508"	934.993851	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+Hac-H"	59.013851
"1497794"	497.003851	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Hac-H"	59.013851
"967525"	504.970151	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-H+NaCOOH"	66.980151
"122996"	472.959402	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+2Cl"	69.938804
"563285"	691.954402	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+2Cl"	69.938804
"1033547"	253.964402	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2Cl"	69.938804
"1252030"	516.908885	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Br"	78.918885
"1318852"	518.964872	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Cl+HCOOH"	80.974872
"1329787"	540.946829	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Cl+NaCOOH"	102.956829
"919751"	550.975586	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M-H+CF3COOH"	112.985586
"1301568"	586.952264	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Cl+CF3COOH"	148.962264
"1372437"	402.977324	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H-2H2O"	-35.012676
"1384826"	420.9873	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H-H2O"	-17.0027
"285242"	876.987276	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+H"	1.007276
"677298"	1314.977276	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+H"	1.007276
"1351943"	438.997276	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H"	1.007276
"137848"	438.997276	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+2H"	2.014552
"578136"	657.992276	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+2H"	2.014552
"1049487"	220.002276	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2H"	2.014552
"215198"	293.000609333333	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+3H"	3.021828
"653664"	438.997276	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+3H"	3.021828
"1170698"	147.003942666667	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+3H"	3.021828
"427773"	894.013823	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+NH4"	18.033823
"792782"	1332.003823	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+NH4"	18.033823
"1686922"	456.023823	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+NH4"	18.033823
"332646"	447.5105495	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+H+NH4"	19.041099
"726890"	666.5055495	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+H+NH4"	19.041099
"1483636"	228.5155495	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H+NH4"	19.041099
"395759"	898.969218	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+Na"	22.989218
"758940"	1336.959218	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+Na"	22.989218
"1610319"	460.979218	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Na"	22.989218
"319262"	449.988247	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+H+Na"	23.996494
"711682"	668.983247	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+H+Na"	23.996494
"1469877"	230.993247	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H+Na"	23.996494
"1058746"	154.331256666667	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2H+Na"	25.00377
"1264801"	471.023486	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+CH3OH+H"	33.033486
"385562"	914.943158	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+K"	38.963158
"743275"	1352.933158	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+K"	38.963158
"1543140"	476.953158	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+K"	38.963158
"300315"	457.975217	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+H+K"	39.970434
"697108"	676.970217	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+H+K"	39.970434
"1446310"	238.980217	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H+K"	39.970434
"235885"	918.013826	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+ACN+H"	42.033826
"1210537"	480.023826	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+ACN+H"	42.033826
"1194659"	240.515551	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+ACN+2H"	43.041102
"190085"	920.95116	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+2Na-H"	44.97116
"629159"	1358.94116	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+2Na-H"	44.97116
"1131696"	482.96116	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2Na-H"	44.97116
"180098"	460.979218	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+2Na"	45.978436
"621482"	679.974218	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+2Na"	45.978436
"1124988"	241.984218	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2Na"	45.978436
"1401222"	161.658570666667	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H+2Na"	46.985712
"1434068"	485.002746	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H+HCOOH"	47.012746
"223398"	466.01224	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+3H2O+2H"	56.04448
"1511459"	499.05479	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+IsoProp+H"	61.06479
"412240"	468.966188	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+Na+K"	61.952376
"776880"	687.961188	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+Na+K"	61.952376
"1668108"	249.971188	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Na+K"	61.952376
"260825"	939.995768	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+ACN+Na"	64.015768
"1232441"	502.005768	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+ACN+Na"	64.015768
"1721327"	502.029293	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+NH4+HCOOH"	64.039293
"1184493"	168.985884666667	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+3Na"	68.967654
"1660948"	506.984688	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Na+HCOOH"	68.994688
"168903"	952.89904	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+2K-H"	76.91904
"609557"	1390.88904	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+2K-H"	76.91904
"1095162"	514.90904	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2K-H"	76.91904
"154166"	476.953158	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"2M+2K"	77.926316
"591539"	695.948158	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"3M+2K"	77.926316
"1077156"	257.958158	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2K"	77.926316
"1102709"	516.923592	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2K+H"	78.933592
"1337268"	517.011207	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+DMSO+H"	79.021207
"1007621"	521.050376	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2ACN+H"	83.060376
"1524894"	522.044008	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+IsoProp+Na+H"	84.054008
"992194"	261.028826	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+2ACN+2H"	84.067652
"1589250"	522.958628	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+K+HCOOH"	84.968628
"1415638"	552.990138	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+H+CF3COOH"	115.000138
"1149210"	281.542101	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+3ACN+2H"	125.094202
"1705328"	570.016685	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+NH4+CF3COOH"	132.026685
"1646448"	574.97208	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+Na+CF3COOH"	136.98208
"1577725"	590.94602	"C18736"	"Fomesafen"	"C15H10ClF3N2O6S"	"437.99"	"M+K+CF3COOH"	152.95602
"808092"	184.0637	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M"	0
"981624"	165.04531	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-H2O-H"	-19.01839
"76430"	121.701857333333	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M-3H"	-3.021828
"511617"	183.056424	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M-3H"	-3.021828
"893792"	60.3472906666667	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-3H"	-3.021828
"4711"	183.056424	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M-2H"	-2.014552
"442449"	275.088274	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M-2H"	-2.014552
"819158"	91.024574	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-2H"	-2.014552
"84259"	367.120124	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M-H"	-1.007276
"533667"	551.183824	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M-H"	-1.007276
"902720"	183.056424	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-H"	-1.007276
"52720"	384.146671	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M-2H+NH4"	16.019271
"496655"	568.210371	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M-2H+NH4"	16.019271
"870081"	200.082971	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-2H+NH4"	16.019271
"39076"	389.102066	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M-2H+Na"	20.974666
"479733"	573.165766	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M-2H+Na"	20.974666
"856441"	205.038366	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-2H+Na"	20.974666
"1630349"	205.038366	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Na-2H"	20.974666
"102501"	201.044763	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M-H+Cl"	33.962126
"546436"	293.076613	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M-H+Cl"	33.962126
"940320"	109.012913	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-H+Cl"	33.962126
"276325"	403.096802	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+Cl"	34.969402
"667651"	587.160502	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+Cl"	34.969402
"1286614"	219.033102	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Cl"	34.969402
"26985"	405.076006	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M-2H+K"	36.948606
"467639"	589.139706	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M-2H+K"	36.948606
"842161"	221.012306	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-2H+K"	36.948606
"1563463"	221.012306	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+K-2H"	36.948606
"951345"	229.061894	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-H+HCOOH"	44.998194
"368466"	413.125601	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+HCOOH-H"	44.998201
"354537"	427.141251	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+Hac-H"	59.013851
"1500820"	243.077551	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Hac-H"	59.013851
"964355"	251.043851	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-H+NaCOOH"	66.980151
"123106"	219.033102	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+2Cl"	69.938804
"560479"	311.064952	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+2Cl"	69.938804
"1034750"	127.001252	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2Cl"	69.938804
"1252140"	262.982585	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Br"	78.918885
"1311307"	265.038572	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Cl+HCOOH"	80.974872
"1325522"	287.020529	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Cl+NaCOOH"	102.956829
"918768"	297.049286	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M-H+CF3COOH"	112.985586
"1296574"	333.025964	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Cl+CF3COOH"	148.962264
"1369267"	149.051024	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H-2H2O"	-35.012676
"1384572"	167.061	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H-H2O"	-17.0027
"287544"	369.134676	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+H"	1.007276
"676357"	553.198376	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+H"	1.007276
"1354126"	185.070976	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H"	1.007276
"135770"	185.070976	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+2H"	2.014552
"577518"	277.102826	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+2H"	2.014552
"1047408"	93.039126	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2H"	2.014552
"210934"	123.716409333333	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+3H"	3.021828
"654869"	185.070976	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+3H"	3.021828
"1170808"	62.3618426666667	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+3H"	3.021828
"427154"	386.161223	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+NH4"	18.033823
"795078"	570.224923	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+NH4"	18.033823
"1685576"	202.097523	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+NH4"	18.033823
"331664"	193.5842495	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+H+NH4"	19.041099
"728827"	285.6160995	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+H+NH4"	19.041099
"1484839"	101.5523995	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H+NH4"	19.041099
"399147"	391.116618	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+Na"	22.989218
"759050"	575.180318	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+Na"	22.989218
"1611521"	207.052918	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Na"	22.989218
"319372"	196.061947	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+H+Na"	23.996494
"713979"	288.093797	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+H+Na"	23.996494
"1467801"	104.030097	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H+Na"	23.996494
"1059949"	69.6891566666667	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2H+Na"	25.00377
"1263818"	217.097186	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+CH3OH+H"	33.033486
"387858"	407.090558	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+K"	38.963158
"747761"	591.154258	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+K"	38.963158
"1546532"	223.026858	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+K"	38.963158
"300426"	204.048917	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+H+K"	39.970434
"693938"	296.080767	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+H+K"	39.970434
"1451039"	112.017067	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H+K"	39.970434
"237453"	410.161226	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+ACN+H"	42.033826
"1210037"	226.097526	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+ACN+H"	42.033826
"1195135"	113.552401	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+ACN+2H"	43.041102
"189829"	413.09856	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+2Na-H"	44.97116
"631951"	597.16226	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+2Na-H"	44.97116
"1131465"	229.03486	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2Na-H"	44.97116
"179481"	207.052918	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+2Na"	45.978436
"617217"	299.084768	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+2Na"	45.978436
"1127286"	115.021068	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2Na"	45.978436
"1405344"	77.0164706666667	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H+2Na"	46.985712
"1435274"	231.076446	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H+HCOOH"	47.012746
"226063"	212.08594	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+3H2O+2H"	56.04448
"1514121"	245.12849	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+IsoProp+H"	61.06479
"412715"	215.039888	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+Na+K"	61.952376
"781000"	307.071738	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+Na+K"	61.952376
"1668219"	123.008038	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Na+K"	61.952376
"256561"	432.143168	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+ACN+Na"	64.015768
"1229271"	248.079468	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+ACN+Na"	64.015768
"1721438"	248.102993	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+NH4+HCOOH"	64.039293
"1183512"	84.3437846666667	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+3Na"	68.967654
"1655591"	253.058388	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Na+HCOOH"	68.994688
"164639"	445.04644	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+2K-H"	76.91904
"602013"	629.11014	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+2K-H"	76.91904
"1090900"	260.98274	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2K-H"	76.91904
"147715"	223.026858	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"2M+2K"	77.926316
"583629"	315.058708	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"3M+2K"	77.926316
"1077266"	130.995008	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2K"	77.926316
"1105006"	262.997292	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2K+H"	78.933592
"1339207"	263.084907	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+DMSO+H"	79.021207
"1009924"	267.124076	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2ACN+H"	83.060376
"1525252"	268.117708	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+IsoProp+Na+H"	84.054008
"990484"	134.065676	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+2ACN+2H"	84.067652
"1587094"	269.032328	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+K+HCOOH"	84.968628
"1414656"	299.063838	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+H+CF3COOH"	115.000138
"1153697"	154.578951	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+3ACN+2H"	125.094202
"1697778"	316.090385	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+NH4+CF3COOH"	132.026685
"1636714"	321.04578	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+Na+CF3COOH"	136.98208
"1573823"	337.01972	"C18737"	"Fuberidazole"	"C11H8N2O"	"184.0637"	"M+K+CF3COOH"	152.95602
"813670"	287.8601	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M"	0
"988299"	268.84171	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-H2O-H"	-19.01839
"73261"	190.899457333333	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M-3H"	-3.021828
"511727"	286.852824	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M-3H"	-3.021828
"894995"	94.9460906666666	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-3H"	-3.021828
"7009"	286.852824	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M-2H"	-2.014552
"440374"	430.782874	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M-2H"	-2.014552
"818296"	142.922774	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-2H"	-2.014552
"93487"	574.712924	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M-H"	-1.007276
"530493"	862.573024	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M-H"	-1.007276
"907207"	286.852824	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-H"	-1.007276
"58299"	591.739471	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M-2H+NH4"	16.019271
"498954"	879.599571	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M-2H+NH4"	16.019271
"873475"	303.879371	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-2H+NH4"	16.019271
"45630"	596.694866	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M-2H+Na"	20.974666
"483127"	884.554966	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M-2H+Na"	20.974666
"862024"	308.834766	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-2H+Na"	20.974666
"1632648"	308.834766	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Na-2H"	20.974666
"109177"	304.841163	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M-H+Cl"	33.962126
"548374"	448.771213	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M-H+Cl"	33.962126
"942623"	160.911113	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-H+Cl"	33.962126
"280446"	610.689602	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+Cl"	34.969402
"672866"	898.549702	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+Cl"	34.969402
"1285999"	322.829502	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Cl"	34.969402
"22722"	612.668806	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M-2H+K"	36.948606
"467385"	900.528906	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M-2H+K"	36.948606
"845189"	324.808706	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-2H+K"	36.948606
"1562480"	324.808706	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+K-2H"	36.948606
"950362"	332.858294	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-H+HCOOH"	44.998194
"374778"	620.718401	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+HCOOH-H"	44.998201
"355379"	634.734051	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+Hac-H"	59.013851
"1502390"	346.873951	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Hac-H"	59.013851
"967747"	354.840251	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-H+NaCOOH"	66.980151
"119941"	322.829502	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+2Cl"	69.938804
"559500"	466.759552	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+2Cl"	69.938804
"1033765"	178.899452	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2Cl"	69.938804
"1256383"	366.778985	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Br"	78.918885
"1316891"	368.834972	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Cl+HCOOH"	80.974872
"1332200"	390.816929	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Cl+NaCOOH"	102.956829
"925079"	400.845686	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M-H+CF3COOH"	112.985586
"1296683"	436.822364	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Cl+CF3COOH"	148.962264
"1369741"	252.847424	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H-2H2O"	-35.012676
"1386873"	270.8574	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H-H2O"	-17.0027
"293122"	576.727476	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+H"	1.007276
"686638"	864.587576	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+H"	1.007276
"1356425"	288.867376	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H"	1.007276
"139162"	288.867376	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+2H"	2.014552
"576538"	432.797426	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+2H"	2.014552
"1047524"	144.937326	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2H"	2.014552
"215429"	192.914009333333	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+3H"	3.021828
"656078"	288.867376	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+3H"	3.021828
"1172018"	96.9606426666667	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+3H"	3.021828
"433104"	593.754023	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+NH4"	18.033823
"795191"	881.614123	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+NH4"	18.033823
"1690430"	305.893923	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+NH4"	18.033823
"338710"	297.3806495	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+H+NH4"	19.041099
"732222"	441.3106995	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+H+NH4"	19.041099
"1482765"	153.4505995	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H+NH4"	19.041099
"399257"	598.709418	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+Na"	22.989218
"758069"	886.569518	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+Na"	22.989218
"1608352"	310.849318	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Na"	22.989218
"319483"	299.858347	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+H+Na"	23.996494
"712999"	443.788397	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+H+Na"	23.996494
"1466818"	155.928297	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H+Na"	23.996494
"1060063"	104.287956666667	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2H+Na"	25.00377
"1263931"	320.893586	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+CH3OH+H"	33.033486
"380317"	614.683358	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+K"	38.963158
"743499"	902.543458	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+K"	38.963158
"1545552"	326.823258	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+K"	38.963158
"300539"	307.845317	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+H+K"	39.970434
"694054"	451.775367	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+H+K"	39.970434
"1446780"	163.915267	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H+K"	39.970434
"237564"	617.754026	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+ACN+H"	42.033826
"1212830"	329.893926	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+ACN+H"	42.033826
"1194223"	165.450601	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+ACN+2H"	43.041102
"188635"	620.69136	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+2Na-H"	44.97116
"632061"	908.55146	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+2Na-H"	44.97116
"1138849"	332.83126	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2Na-H"	44.97116
"188309"	310.849318	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+2Na"	45.978436
"627300"	454.779368	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+2Na"	45.978436
"1129221"	166.919268	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2Na"	45.978436
"1413112"	111.615270666667	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H+2Na"	46.985712
"1437572"	334.872846	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H+HCOOH"	47.012746
"227265"	315.88234	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+3H2O+2H"	56.04448
"1514236"	348.92489	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+IsoProp+H"	61.06479
"411735"	318.836288	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+Na+K"	61.952376
"773825"	462.766338	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+Na+K"	61.952376
"1672344"	174.906238	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Na+K"	61.952376
"257770"	639.735968	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+ACN+Na"	64.015768
"1227560"	351.875868	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+ACN+Na"	64.015768
"1716082"	351.899393	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+NH4+HCOOH"	64.039293
"1180707"	118.942584666667	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+3Na"	68.967654
"1653516"	356.854788	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Na+HCOOH"	68.994688
"158557"	652.63924	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+2K-H"	76.91904
"598113"	940.49934	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+2K-H"	76.91904
"1084935"	364.77914	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2K-H"	76.91904
"142723"	326.823258	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"2M+2K"	77.926316
"581800"	470.753308	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"3M+2K"	77.926316
"1079563"	182.893208	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2K"	77.926316
"1105117"	366.793692	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2K+H"	78.933592
"1337494"	366.881307	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+DMSO+H"	79.021207
"1010036"	370.920476	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2ACN+H"	83.060376
"1532536"	371.914108	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+IsoProp+Na+H"	84.054008
"998983"	185.963876	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+2ACN+2H"	84.067652
"1591300"	372.828728	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+K+HCOOH"	84.968628
"1420239"	402.860238	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+H+CF3COOH"	115.000138
"1152713"	206.477151	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+3ACN+2H"	125.094202
"1698013"	419.886785	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+NH4+CF3COOH"	132.026685
"1636824"	424.84218	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+Na+CF3COOH"	136.98208
"1573569"	440.81612	"C18738"	"BHC;123456-Hexachlorocyclohexane"	"C6H6Cl6"	"287.8601"	"M+K+CF3COOH"	152.95602
"808312"	296.0483	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M"	0
"987313"	277.02991	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-H2O-H"	-19.01839
"72274"	196.358257333333	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M-3H"	-3.021828
"516577"	295.041024	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M-3H"	-3.021828
"894376"	97.6754906666666	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-3H"	-3.021828
"3839"	295.041024	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M-2H"	-2.014552
"440436"	443.065174	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M-2H"	-2.014552
"817268"	147.016874	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-2H"	-2.014552
"89219"	591.089324	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M-H"	-1.007276
"530239"	887.137624	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M-H"	-1.007276
"910355"	295.041024	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-H"	-1.007276
"58409"	608.115871	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M-2H+NH4"	16.019271
"499064"	904.164171	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M-2H+NH4"	16.019271
"875771"	312.067571	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-2H+NH4"	16.019271
"45498"	613.071266	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M-2H+Na"	20.974666
"483237"	909.119566	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M-2H+Na"	20.974666
"862132"	317.022966	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-2H+Na"	20.974666
"1631543"	317.022966	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Na-2H"	20.974666
"106978"	313.029363	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M-H+Cl"	33.962126
"545567"	461.053513	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M-H+Cl"	33.962126
"938717"	165.005213	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-H+Cl"	33.962126
"278369"	627.066002	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+Cl"	34.969402
"671153"	923.114302	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+Cl"	34.969402
"1283557"	331.017702	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Cl"	34.969402
"23924"	629.045206	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M-2H+K"	36.948606
"464579"	925.093506	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M-2H+K"	36.948606
"845299"	332.996906	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-2H+K"	36.948606
"1560403"	332.996906	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+K-2H"	36.948606
"947190"	341.046494	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-H+HCOOH"	44.998194
"372701"	637.094801	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+HCOOH-H"	44.998201
"355853"	651.110451	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+Hac-H"	59.013851
"1501406"	355.062151	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Hac-H"	59.013851
"965670"	363.028451	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-H+NaCOOH"	66.980151
"124059"	331.017702	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+2Cl"	69.938804
"561796"	479.041852	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+2Cl"	69.938804
"1033511"	182.993552	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2Cl"	69.938804
"1256371"	374.967185	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Br"	78.918885
"1318094"	377.023172	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Cl+HCOOH"	80.974872
"1332310"	399.005129	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Cl+NaCOOH"	102.956829
"922274"	409.033886	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M-H+CF3COOH"	112.985586
"1296793"	445.010564	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Cl+CF3COOH"	148.962264
"1369487"	261.035624	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H-2H2O"	-35.012676
"1386983"	279.0456	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H-H2O"	-17.0027
"284114"	593.103876	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+H"	1.007276
"686748"	889.152176	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+H"	1.007276
"1356535"	297.055576	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H"	1.007276
"139637"	297.055576	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+2H"	2.014552
"577738"	445.079726	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+2H"	2.014552
"1048363"	149.031426	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2H"	2.014552
"214809"	198.372809333333	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+3H"	3.021828
"655824"	297.055576	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+3H"	3.021828
"1171035"	99.6900426666667	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+3H"	3.021828
"434307"	610.130423	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+NH4"	18.033823
"795301"	906.178723	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+NH4"	18.033823
"1690540"	314.082123	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+NH4"	18.033823
"336634"	305.5688495	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+H+NH4"	19.041099
"731239"	453.5929995	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+H+NH4"	19.041099
"1481782"	157.5446995	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H+NH4"	19.041099
"397181"	615.085818	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+Na"	22.989218
"758178"	911.134118	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+Na"	22.989218
"1608463"	319.037518	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Na"	22.989218
"318499"	308.046547	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+H+Na"	23.996494
"713109"	456.070697	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+H+Na"	23.996494
"1466929"	160.022397	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H+Na"	23.996494
"1060173"	107.017356666667	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2H+Na"	25.00377
"1262948"	329.081786	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+CH3OH+H"	33.033486
"378484"	631.059758	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+K"	38.963158
"742517"	927.108058	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+K"	38.963158
"1545662"	335.011458	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+K"	38.963158
"301013"	316.033517	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+H+K"	39.970434
"693435"	464.057667	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+H+K"	39.970434
"1446161"	168.009367	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H+K"	39.970434
"235863"	634.130426	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+ACN+H"	42.033826
"1210185"	338.082126	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+ACN+H"	42.033826
"1194247"	169.544701	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+ACN+2H"	43.041102
"188827"	637.06776	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+2Na-H"	44.97116
"633994"	933.11606	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+2Na-H"	44.97116
"1140054"	341.01946	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2Na-H"	44.97116
"187609"	319.037518	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+2Na"	45.978436
"627535"	467.061668	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+2Na"	45.978436
"1129818"	171.013368	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2Na"	45.978436
"1411518"	114.344670666667	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H+2Na"	46.985712
"1437682"	343.061046	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H+HCOOH"	47.012746
"225189"	324.07054	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+3H2O+2H"	56.04448
"1514345"	357.11309	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+IsoProp+H"	61.06479
"415125"	327.024488	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+Na+K"	61.952376
"774298"	475.048638	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+Na+K"	61.952376
"1668075"	179.000338	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Na+K"	61.952376
"253866"	656.112368	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+ACN+Na"	64.015768
"1228398"	360.064068	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+ACN+Na"	64.015768
"1719472"	360.087593	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+NH4+HCOOH"	64.039293
"1180819"	121.671984666667	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+3Na"	68.967654
"1652532"	365.042988	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Na+HCOOH"	68.994688
"157572"	669.01564	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+2K-H"	76.91904
"598951"	965.06394	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+2K-H"	76.91904
"1086015"	372.96734	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2K-H"	76.91904
"143560"	335.011458	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"2M+2K"	77.926316
"581667"	483.035608	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"3M+2K"	77.926316
"1076393"	186.987308	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2K"	77.926316
"1100853"	374.981892	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2K+H"	78.933592
"1336509"	375.069507	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+DMSO+H"	79.021207
"1010146"	379.108676	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2ACN+H"	83.060376
"1532646"	380.102308	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+IsoProp+Na+H"	84.054008
"995813"	190.057976	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+2ACN+2H"	84.067652
"1591410"	381.016928	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+K+HCOOH"	84.968628
"1418162"	411.048438	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+H+CF3COOH"	115.000138
"1149543"	210.571251	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+3ACN+2H"	125.094202
"1698366"	428.074985	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+NH4+CF3COOH"	132.026685
"1636934"	433.03038	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+Na+CF3COOH"	136.98208
"1573679"	449.00432	"C18739"	"Enilconazole;Imazalil"	"C14H14Cl2N2O"	"296.0483"	"M+K+CF3COOH"	152.95602
"816648"	496.9349	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M"	0
"989372"	477.91651	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-H2O-H"	-19.01839
"76764"	330.282657333333	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M-3H"	-3.021828
"516321"	495.927624	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M-3H"	-3.021828
"895218"	164.637690666667	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-3H"	-3.021828
"10512"	495.927624	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M-2H"	-2.014552
"445698"	744.395074	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M-2H"	-2.014552
"825686"	247.460174	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-2H"	-2.014552
"84583"	992.862524	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M-H"	-1.007276
"530713"	1489.797424	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M-H"	-1.007276
"909496"	495.927624	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-H"	-1.007276
"61806"	1009.889071	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M-2H+NH4"	16.019271
"502669"	1506.823971	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M-2H+NH4"	16.019271
"877953"	512.954171	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-2H+NH4"	16.019271
"44515"	1014.844466	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M-2H+Na"	20.974666
"483351"	1511.779366	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M-2H+Na"	20.974666
"861518"	517.909566	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-2H+Na"	20.974666
"1632023"	517.909566	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Na-2H"	20.974666
"107578"	513.915963	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M-H+Cl"	33.962126
"545677"	762.383413	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M-H+Cl"	33.962126
"938098"	265.448513	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-H+Cl"	33.962126
"275563"	1028.839202	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+Cl"	34.969402
"674309"	1525.774102	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+Cl"	34.969402
"1285855"	531.904302	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Cl"	34.969402
"30848"	1030.818406	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M-2H+K"	36.948606
"468702"	1527.753306	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M-2H+K"	36.948606
"843586"	533.883506	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-2H+K"	36.948606
"1569991"	533.883506	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+K-2H"	36.948606
"955688"	541.933094	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-H+HCOOH"	44.998194
"370987"	1038.868001	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+HCOOH-H"	44.998201
"351590"	1052.883651	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+Hac-H"	59.013851
"1498234"	555.948751	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Hac-H"	59.013851
"972710"	563.915051	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-H+NaCOOH"	66.980151
"120161"	531.904302	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+2Cl"	69.938804
"564094"	780.371752	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+2Cl"	69.938804
"1036179"	283.436852	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2Cl"	69.938804
"1256242"	575.853785	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Br"	78.918885
"1317110"	577.909772	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Cl+HCOOH"	80.974872
"1332419"	599.891729	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Cl+NaCOOH"	102.956829
"924208"	609.920486	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M-H+CF3COOH"	112.985586
"1300185"	645.897164	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Cl+CF3COOH"	148.962264
"1380535"	461.922224	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H-2H2O"	-35.012676
"1391469"	479.9322	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H-H2O"	-17.0027
"293342"	994.877076	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+H"	1.007276
"686858"	1491.811976	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+H"	1.007276
"1365033"	497.942176	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H"	1.007276
"135006"	497.942176	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+2H"	2.014552
"577848"	746.409626	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+2H"	2.014552
"1051023"	249.474726	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2H"	2.014552
"218924"	332.297209333333	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+3H"	3.021828
"658120"	497.942176	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+3H"	3.021828
"1173331"	166.652242666667	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+3H"	3.021828
"437698"	1011.903623	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+NH4"	18.033823
"795411"	1508.838523	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+NH4"	18.033823
"1693928"	514.968723	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+NH4"	18.033823
"342210"	506.4554495	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+H+NH4"	19.041099
"734629"	754.9228995	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+H+NH4"	19.041099
"1480801"	257.9879995	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H+NH4"	19.041099
"394377"	1016.859018	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+Na"	22.989218
"760476"	1513.793918	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+Na"	22.989218
"1608574"	519.924118	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Na"	22.989218
"321890"	508.933147	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+H+Na"	23.996494
"718687"	757.400597	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+H+Na"	23.996494
"1468134"	260.465697	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H+Na"	23.996494
"1063202"	173.979556666667	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2H+Na"	25.00377
"1267433"	529.968386	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+CH3OH+H"	33.033486
"387100"	1032.832958	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+K"	38.963158
"745908"	1529.767858	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+K"	38.963158
"1544680"	535.898058	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+K"	38.963158
"305134"	516.920117	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+H+K"	39.970434
"694274"	765.387567	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+H+K"	39.970434
"1445779"	268.452667	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H+K"	39.970434
"236002"	1035.903626	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+ACN+H"	42.033826
"1214143"	538.968726	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+ACN+H"	42.033826
"1194334"	269.988001	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+ACN+2H"	43.041102
"189060"	1038.84096	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+2Na-H"	44.97116
"633375"	1535.77586	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+2Na-H"	44.97116
"1140164"	541.90606	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2Na-H"	44.97116
"188454"	519.924118	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+2Na"	45.978436
"628334"	768.391568	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+2Na"	45.978436
"1128346"	271.456668	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2Na"	45.978436
"1410776"	181.306870666667	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H+2Na"	46.985712
"1444231"	543.947646	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H+HCOOH"	47.012746
"228579"	524.95714	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+3H2O+2H"	56.04448
"1522600"	557.99969	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+IsoProp+H"	61.06479
"418518"	527.911088	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+Na+K"	61.952376
"772586"	776.378538	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+Na+K"	61.952376
"1668185"	279.443638	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Na+K"	61.952376
"253613"	1057.885568	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+ACN+Na"	64.015768
"1226685"	560.950668	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+ACN+Na"	64.015768
"1718489"	560.974193	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+NH4+HCOOH"	64.039293
"1180929"	188.634184666667	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+3Na"	68.967654
"1652642"	565.929588	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Na+HCOOH"	68.994688
"158777"	1070.78884	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+2K-H"	76.91904
"598698"	1567.72374	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+2K-H"	76.91904
"1085031"	573.85394	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2K-H"	76.91904
"142215"	535.898058	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"2M+2K"	77.926316
"581534"	784.365508	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"3M+2K"	77.926316
"1071400"	287.430608	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2K"	77.926316
"1101694"	575.868492	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2K+H"	78.933592
"1337104"	575.956107	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+DMSO+H"	79.021207
"1010256"	579.995276	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2ACN+H"	83.060376
"1536036"	580.988908	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+IsoProp+Na+H"	84.054008
"999203"	290.501276	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+2ACN+2H"	84.067652
"1593707"	581.903528	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+K+HCOOH"	84.968628
"1420459"	611.935038	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+H+CF3COOH"	115.000138
"1149653"	311.014551	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+3ACN+2H"	125.094202
"1709050"	628.961585	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+NH4+CF3COOH"	132.026685
"1646888"	633.91698	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+Na+CF3COOH"	136.98208
"1578165"	649.89092	"C18740"	"Ioxynil octanoate"	"C15H17I2NO2"	"496.9349"	"M+K+CF3COOH"	152.95602
"814001"	244.0325	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M"	0
"986440"	225.01411	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-H2O-H"	-19.01839
"76869"	161.681057333333	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M-3H"	-3.021828
"515336"	243.025224	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M-3H"	-3.021828
"892044"	80.3368906666667	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-3H"	-3.021828
"5154"	243.025224	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M-2H"	-2.014552
"441556"	365.041474	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M-2H"	-2.014552
"822516"	121.008974	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-2H"	-2.014552
"81777"	487.057724	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M-H"	-1.007276
"530823"	731.090224	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M-H"	-1.007276
"910215"	243.025224	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-H"	-1.007276
"61916"	504.084271	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M-2H+NH4"	16.019271
"502207"	748.116771	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M-2H+NH4"	16.019271
"878914"	260.051771	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-2H+NH4"	16.019271
"44986"	509.039666	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M-2H+Na"	20.974666
"484920"	753.072166	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M-2H+Na"	20.974666
"860169"	265.007166	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-2H+Na"	20.974666
"1633470"	265.007166	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Na-2H"	20.974666
"108416"	261.013563	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M-H+Cl"	33.962126
"544694"	383.029813	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M-H+Cl"	33.962126
"936021"	138.997313	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-H+Cl"	33.962126
"275673"	523.034402	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+Cl"	34.969402
"673931"	767.066902	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+Cl"	34.969402
"1282685"	279.001902	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Cl"	34.969402
"28522"	525.013606	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M-2H+K"	36.948606
"468811"	769.046106	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M-2H+K"	36.948606
"840416"	280.981106	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-2H+K"	36.948606
"1568279"	280.981106	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+K-2H"	36.948606
"954705"	289.030694	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-H+HCOOH"	44.998194
"365629"	533.063201	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+HCOOH-H"	44.998201
"350607"	547.078851	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+Hac-H"	59.013851
"1493967"	303.046351	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Hac-H"	59.013851
"973184"	311.012651	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-H+NaCOOH"	66.980151
"122459"	279.001902	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+2Cl"	69.938804
"564938"	401.018152	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+2Cl"	69.938804
"1036166"	156.985652	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2Cl"	69.938804
"1256472"	322.951385	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Br"	78.918885
"1318314"	325.007372	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Cl+HCOOH"	80.974872
"1331436"	346.989329	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Cl+NaCOOH"	102.956829
"923588"	357.018086	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M-H+CF3COOH"	112.985586
"1297015"	392.994764	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Cl+CF3COOH"	148.962264
"1379552"	209.019824	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H-2H2O"	-35.012676
"1392672"	227.0298	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H-H2O"	-17.0027
"292359"	489.072276	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+H"	1.007276
"684782"	733.104776	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+H"	1.007276
"1366479"	245.039776	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H"	1.007276
"135116"	245.039776	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+2H"	2.014552
"577958"	367.056026	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+2H"	2.014552
"1050770"	123.023526	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2H"	2.014552
"218305"	163.695609333333	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+3H"	3.021828
"656407"	245.039776	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+3H"	3.021828
"1177087"	82.3514426666667	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+3H"	3.021828
"435623"	506.098823	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+NH4"	18.033823
"794428"	750.131323	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+NH4"	18.033823
"1690758"	262.066323	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+NH4"	18.033823
"342320"	253.5530495	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+H+NH4"	19.041099
"734739"	375.5692995	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+H+NH4"	19.041099
"1482004"	131.5367995	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H+NH4"	19.041099
"398493"	511.054218	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+Na"	22.989218
"759488"	755.086718	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+Na"	22.989218
"1604065"	267.021718	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Na"	22.989218
"316535"	256.030747	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+H+Na"	23.996494
"709077"	378.046997	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+H+Na"	23.996494
"1468244"	134.014497	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H+Na"	23.996494
"1059302"	89.6787566666667	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2H+Na"	25.00377
"1269733"	277.065986	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+CH3OH+H"	33.033486
"386117"	527.028158	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+K"	38.963158
"748571"	771.060658	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+K"	38.963158
"1551351"	282.995658	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+K"	38.963158
"305244"	264.017717	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+H+K"	39.970434
"694384"	386.033967	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+H+K"	39.970434
"1448202"	142.001467	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H+K"	39.970434
"237892"	530.098826	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+ACN+H"	42.033826
"1210973"	286.066326	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+ACN+H"	42.033826
"1194972"	143.536801	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+ACN+2H"	43.041102
"188888"	533.03616	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+2Na-H"	44.97116
"633850"	777.06866	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+2Na-H"	44.97116
"1141367"	289.00366	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2Na-H"	44.97116
"188156"	267.021718	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+2Na"	45.978436
"626774"	389.037968	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+2Na"	45.978436
"1127363"	145.005468	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2Na"	45.978436
"1409063"	97.0060706666667	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H+2Na"	46.985712
"1443856"	291.045246	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H+HCOOH"	47.012746
"228689"	272.05474	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+3H2O+2H"	56.04448
"1522836"	305.09729	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+IsoProp+H"	61.06479
"421789"	275.008688	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+Na+K"	61.952376
"775612"	397.024938	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+Na+K"	61.952376
"1669389"	152.992438	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Na+K"	61.952376
"254087"	552.080768	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+ACN+Na"	64.015768
"1229711"	308.048268	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+ACN+Na"	64.015768
"1720786"	308.071793	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+NH4+HCOOH"	64.039293
"1181766"	104.333384666667	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+3Na"	68.967654
"1653845"	313.027188	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Na+HCOOH"	68.994688
"158156"	564.98404	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+2K-H"	76.91904
"599173"	809.01654	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+2K-H"	76.91904
"1085873"	320.95154	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2K-H"	76.91904
"142325"	282.995658	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"2M+2K"	77.926316
"581888"	405.011908	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"3M+2K"	77.926316
"1070052"	160.979408	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2K"	77.926316
"1101075"	322.966092	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2K+H"	78.933592
"1336361"	323.053707	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+DMSO+H"	79.021207
"1010366"	327.092876	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2ACN+H"	83.060376
"1535053"	328.086508	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+IsoProp+Na+H"	84.054008
"999313"	164.050076	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+2ACN+2H"	84.067652
"1593817"	329.001128	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+K+HCOOH"	84.968628
"1424944"	359.032638	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+H+CF3COOH"	115.000138
"1147212"	184.563351	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+3ACN+2H"	125.094202
"1706974"	376.059185	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+NH4+CF3COOH"	132.026685
"1645905"	381.01458	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+Na+CF3COOH"	136.98208
"1578275"	396.98852	"C18741"	"MCPA-thioethyl"	"C11H13ClO2S"	"244.0325"	"M+K+CF3COOH"	152.95602
"808641"	214.0397	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M"	0
"987642"	195.02131	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H2O-H"	-19.01839
"71511"	141.685857333333	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-3H"	-3.021828
"515082"	213.032424	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-3H"	-3.021828
"889967"	70.3392906666667	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-3H"	-3.021828
"4171"	213.032424	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H"	-2.014552
"451386"	320.052274	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H"	-2.014552
"819711"	106.012574	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H"	-2.014552
"84804"	427.072124	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-H"	-1.007276
"528746"	641.111824	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-H"	-1.007276
"911290"	213.032424	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H"	-1.007276
"62634"	444.098671	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+NH4"	16.019271
"502649"	658.138371	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+NH4"	16.019271
"878047"	230.058971	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+NH4"	16.019271
"45096"	449.054066	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+Na"	20.974666
"485761"	663.093766	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+Na"	20.974666
"861008"	235.014366	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+Na"	20.974666
"1633580"	235.014366	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na-2H"	20.974666
"109133"	231.020763	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-H+Cl"	33.962126
"544804"	338.040613	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-H+Cl"	33.962126
"936131"	124.000913	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+Cl"	33.962126
"275783"	463.048802	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Cl"	34.969402
"674406"	677.088502	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Cl"	34.969402
"1282795"	249.009102	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl"	34.969402
"28632"	465.028006	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+K"	36.948606
"466005"	679.067706	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+K"	36.948606
"840526"	250.988306	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+K"	36.948606
"1568025"	250.988306	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K-2H"	36.948606
"955179"	259.037894	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+HCOOH"	44.998194
"364646"	473.077601	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+HCOOH-H"	44.998201
"350717"	487.093251	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Hac-H"	59.013851
"1494078"	273.053551	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Hac-H"	59.013851
"973294"	281.019851	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+NaCOOH"	66.980151
"124028"	249.009102	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Cl"	69.938804
"565646"	356.028952	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Cl"	69.938804
"1036844"	141.989252	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Cl"	69.938804
"1256462"	292.958585	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Br"	78.918885
"1318423"	295.014572	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+HCOOH"	80.974872
"1333732"	316.996529	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+NaCOOH"	102.956829
"925884"	327.025286	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+CF3COOH"	112.985586
"1299311"	363.001964	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+CF3COOH"	148.962264
"1377473"	179.027024	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H-2H2O"	-35.012676
"1392783"	197.037	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H-H2O"	-17.0027
"288094"	429.086676	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H"	1.007276
"683799"	643.126376	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H"	1.007276
"1354313"	215.046976	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H"	1.007276
"135226"	215.046976	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2H"	2.014552
"578069"	322.066826	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2H"	2.014552
"1051609"	108.027126	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2H"	2.014552
"219145"	143.700409333333	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+3H"	3.021828
"654329"	215.046976	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+3H"	3.021828
"1175739"	72.3538426666667	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3H"	3.021828
"432450"	446.113223	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+NH4"	18.033823
"794538"	660.152923	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+NH4"	18.033823
"1688681"	232.073523	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4"	18.033823
"341335"	223.5602495	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+NH4"	19.041099
"731570"	330.5800995	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+NH4"	19.041099
"1481022"	116.5403995	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+NH4"	19.041099
"397509"	451.068618	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Na"	22.989218
"759599"	665.108318	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Na"	22.989218
"1605148"	237.028918	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na"	22.989218
"316644"	226.037947	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+Na"	23.996494
"710159"	333.057797	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+Na"	23.996494
"1470541"	119.018097	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+Na"	23.996494
"1062692"	79.6811566666667	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2H+Na"	25.00377
"1267656"	247.073186	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+CH3OH+H"	33.033486
"388780"	467.042558	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+K"	38.963158
"750869"	681.082258	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+K"	38.963158
"1551097"	253.002858	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K"	38.963158
"304260"	234.024917	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+K"	39.970434
"694494"	341.044767	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+K"	39.970434
"1446245"	127.005067	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+K"	39.970434
"237633"	470.113226	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+ACN+H"	42.033826
"1210109"	256.073526	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+H"	42.033826
"1194431"	128.540401	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+2H"	43.041102
"188801"	473.05056	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Na-H"	44.97116
"633596"	687.09026	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Na-H"	44.97116
"1139290"	259.01086	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Na-H"	44.97116
"188067"	237.028918	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Na"	45.978436
"628225"	344.048768	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Na"	45.978436
"1130880"	130.009068	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Na"	45.978436
"1411726"	87.0084706666667	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+2Na"	46.985712
"1444208"	261.052446	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+HCOOH"	47.012746
"232445"	242.06194	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+3H2O+2H"	56.04448
"1523679"	275.10449	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+IsoProp+H"	61.06479
"422020"	245.015888	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Na+K"	61.952376
"776451"	352.035738	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Na+K"	61.952376
"1676062"	137.996038	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+K"	61.952376
"254926"	492.095168	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+ACN+Na"	64.015768
"1233102"	278.055468	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+Na"	64.015768
"1725268"	278.078993	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4+HCOOH"	64.039293
"1184064"	94.3357846666667	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3Na"	68.967654
"1655049"	283.034388	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+HCOOH"	68.994688
"160817"	504.99844	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2K-H"	76.91904
"600378"	719.03814	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2K-H"	76.91904
"1085011"	290.95874	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K-H"	76.91904
"142435"	253.002858	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2K"	77.926316
"582730"	360.022708	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2K"	77.926316
"1072350"	145.983008	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K"	77.926316
"1103373"	292.973292	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K+H"	78.933592
"1336349"	293.060907	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+DMSO+H"	79.021207
"1013756"	297.100076	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2ACN+H"	83.060376
"1532976"	298.093708	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+IsoProp+Na+H"	84.054008
"996143"	149.053676	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2ACN+2H"	84.067652
"1597207"	299.008328	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K+HCOOH"	84.968628
"1425054"	329.039838	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+CF3COOH"	115.000138
"1147686"	169.566951	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3ACN+2H"	125.094202
"1707084"	346.066385	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4+CF3COOH"	132.026685
"1646015"	351.02178	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+CF3COOH"	136.98208
"1578385"	366.99572	"C18742"	"Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K+CF3COOH"	152.95602
"808751"	310.0599	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M"	0
"983378"	291.04151	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-H2O-H"	-19.01839
"76725"	205.699324	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M-3H"	-3.021828
"516286"	309.052624	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M-3H"	-3.021828
"887889"	102.346024	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-3H"	-3.021828
"9749"	309.052624	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M-2H"	-2.014552
"448215"	464.082574	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M-2H"	-2.014552
"822738"	154.022674	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-2H"	-2.014552
"84915"	619.112524	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M-H"	-1.007276
"527763"	929.172424	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M-H"	-1.007276
"911089"	309.052624	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-H"	-1.007276
"62462"	636.139071	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M-2H+NH4"	16.019271
"502552"	946.198971	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M-2H+NH4"	16.019271
"877306"	326.079171	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-2H+NH4"	16.019271
"44113"	641.094466	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M-2H+Na"	20.974666
"486112"	951.154366	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M-2H+Na"	20.974666
"863668"	331.034566	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-2H+Na"	20.974666
"1633936"	331.034566	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Na-2H"	20.974666
"107177"	327.040963	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M-H+Cl"	33.962126
"543820"	482.070913	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M-H+Cl"	33.962126
"934054"	172.011013	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-H+Cl"	33.962126
"276986"	655.089202	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+Cl"	34.969402
"675452"	965.149102	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+Cl"	34.969402
"1282905"	345.029302	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Cl"	34.969402
"26555"	657.068406	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M-2H+K"	36.948606
"465022"	967.128306	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M-2H+K"	36.948606
"840636"	347.008506	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-2H+K"	36.948606
"1566312"	347.008506	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+K-2H"	36.948606
"952008"	355.058094	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-H+HCOOH"	44.998194
"366941"	665.118001	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+HCOOH-H"	44.998201
"346939"	679.133651	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+Hac-H"	59.013851
"1493459"	369.073751	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Hac-H"	59.013851
"972674"	377.040051	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-H+NaCOOH"	66.980151
"123771"	345.029302	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+2Cl"	69.938804
"564913"	500.059252	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+2Cl"	69.938804
"1037048"	189.999352	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2Cl"	69.938804
"1256966"	388.978785	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Br"	78.918885
"1319263"	391.034772	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Cl+HCOOH"	80.974872
"1334935"	413.016729	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Cl+NaCOOH"	102.956829
"925996"	423.045486	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M-H+CF3COOH"	112.985586
"1298328"	459.022164	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Cl+CF3COOH"	148.962264
"1379769"	275.047224	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H-2H2O"	-35.012676
"1396172"	293.0572	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H-H2O"	-17.0027
"287110"	621.127076	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+H"	1.007276
"678438"	931.186976	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+H"	1.007276
"1354787"	311.067176	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H"	1.007276
"136429"	311.067176	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+2H"	2.014552
"579271"	466.097126	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+2H"	2.014552
"1050626"	156.037226	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2H"	2.014552
"219617"	207.713876	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+3H"	3.021828
"655532"	311.067176	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+3H"	3.021828
"1173662"	104.360576	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+3H"	3.021828
"435840"	638.153623	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+NH4"	18.033823
"795741"	948.213523	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+NH4"	18.033823
"1690978"	328.093723	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+NH4"	18.033823
"342538"	319.5804495	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+H+NH4"	19.041099
"735688"	474.6103995	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+H+NH4"	19.041099
"1483316"	164.5504995	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H+NH4"	19.041099
"398715"	643.109018	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+Na"	22.989218
"756429"	953.168918	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+Na"	22.989218
"1604532"	333.049118	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Na"	22.989218
"320036"	322.058147	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+H+Na"	23.996494
"711363"	477.088097	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+H+Na"	23.996494
"1470650"	167.028197	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H+Na"	23.996494
"1063895"	111.68789	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2H+Na"	25.00377
"1268128"	343.093386	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+CH3OH+H"	33.033486
"389984"	659.082958	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+K"	38.963158
"748791"	969.142858	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+K"	38.963158
"1549384"	349.023058	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+K"	38.963158
"303277"	330.045117	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+H+K"	39.970434
"694967"	485.075067	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+H+K"	39.970434
"1446722"	175.015167	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H+K"	39.970434
"236082"	662.153626	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+ACN+H"	42.033826
"1210455"	352.093726	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+ACN+H"	42.033826
"1196164"	176.550501	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+ACN+2H"	43.041102
"188566"	665.09096	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+2Na-H"	44.97116
"632977"	975.15086	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+2Na-H"	44.97116
"1137213"	355.03106	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2Na-H"	44.97116
"188344"	333.049118	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+2Na"	45.978436
"627358"	488.079068	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+2Na"	45.978436
"1130135"	178.019168	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2Na"	45.978436
"1412200"	119.015204	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H+2Na"	46.985712
"1443954"	357.072646	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H+HCOOH"	47.012746
"230732"	338.08214	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+3H2O+2H"	56.04448
"1523865"	371.12469	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+IsoProp+H"	61.06479
"423223"	341.036088	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+Na+K"	61.952376
"777655"	496.066038	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+Na+K"	61.952376
"1678722"	186.006138	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Na+K"	61.952376
"255036"	684.135568	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+ACN+Na"	64.015768
"1232118"	374.075668	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+ACN+Na"	64.015768
"1725378"	374.099193	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+NH4+HCOOH"	64.039293
"1180162"	126.342518	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+3Na"	68.967654
"1652242"	379.054588	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Na+HCOOH"	68.994688
"160199"	697.03884	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+2K-H"	76.91904
"600850"	1007.09874	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+2K-H"	76.91904
"1086821"	386.97894	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2K-H"	76.91904
"144004"	349.023058	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"2M+2K"	77.926316
"583690"	504.053008	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"3M+2K"	77.926316
"1070394"	193.993108	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2K"	77.926316
"1101172"	388.993492	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2K+H"	78.933592
"1336582"	389.081107	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+DMSO+H"	79.021207
"1010586"	393.120276	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2ACN+H"	83.060376
"1531993"	394.113908	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+IsoProp+Na+H"	84.054008
"992973"	197.063776	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+2ACN+2H"	84.067652
"1594037"	395.028528	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+K+HCOOH"	84.968628
"1421884"	425.060038	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+H+CF3COOH"	115.000138
"1148525"	217.577051	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+3ACN+2H"	125.094202
"1706100"	442.086585	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+NH4+CF3COOH"	132.026685
"1647218"	447.04198	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+Na+CF3COOH"	136.98208
"1578495"	463.01592	"C18743"	"Mefluidide"	"C11H13F3N2O3S"	"310.0599"	"M+K+CF3COOH"	152.95602
"808861"	176.1049	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M"	0
"983488"	157.08651	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-H2O-H"	-19.01839
"76835"	116.395990666667	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M-3H"	-3.021828
"515303"	175.097624	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M-3H"	-3.021828
"890186"	57.6943573333333	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-3H"	-3.021828
"11318"	175.097624	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M-2H"	-2.014552
"448325"	263.150074	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M-2H"	-2.014552
"827222"	87.045174	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-2H"	-2.014552
"85026"	351.202524	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M-H"	-1.007276
"530059"	527.307424	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M-H"	-1.007276
"910908"	175.097624	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-H"	-1.007276
"62528"	368.229071	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M-2H+NH4"	16.019271
"499615"	544.333971	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M-2H+NH4"	16.019271
"877052"	192.124171	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-2H+NH4"	16.019271
"43859"	373.184466	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M-2H+Na"	20.974666
"485975"	549.289366	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M-2H+Na"	20.974666
"861592"	197.079566	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-2H+Na"	20.974666
"1632946"	197.079566	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Na-2H"	20.974666
"106194"	193.085963	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M-H+Cl"	33.962126
"543930"	281.138413	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M-H+Cl"	33.962126
"934164"	105.033513	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-H+Cl"	33.962126
"276003"	387.179202	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+Cl"	34.969402
"672800"	563.284102	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+Cl"	34.969402
"1279735"	211.074302	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Cl"	34.969402
"20105"	389.158406	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M-2H+K"	36.948606
"465132"	565.263306	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M-2H+K"	36.948606
"839652"	213.053506	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-2H+K"	36.948606
"1566422"	213.053506	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+K-2H"	36.948606
"952118"	221.103094	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-H+HCOOH"	44.998194
"367051"	397.208001	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+HCOOH-H"	44.998201
"347657"	411.223651	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+Hac-H"	59.013851
"1492771"	235.118751	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Hac-H"	59.013851
"970233"	243.085051	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-H+NaCOOH"	66.980151
"120601"	211.074302	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+2Cl"	69.938804
"565145"	299.126752	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+2Cl"	69.938804
"1035520"	123.021852	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2Cl"	69.938804
"1255464"	255.023785	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Br"	78.918885
"1317549"	257.079772	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Cl+HCOOH"	80.974872
"1333952"	279.061729	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Cl+NaCOOH"	102.956829
"926106"	289.090486	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M-H+CF3COOH"	112.985586
"1300625"	325.067164	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Cl+CF3COOH"	148.962264
"1377693"	141.092224	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H-2H2O"	-35.012676
"1393002"	159.1022	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H-H2O"	-17.0027
"284304"	353.217076	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+H"	1.007276
"675709"	529.321976	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+H"	1.007276
"1354169"	177.112176	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H"	1.007276
"136539"	177.112176	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+2H"	2.014552
"579381"	265.164626	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+2H"	2.014552
"1048180"	89.059726	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2H"	2.014552
"219850"	118.410542666667	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+3H"	3.021828
"655642"	177.112176	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+3H"	3.021828
"1175959"	59.7089093333333	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+3H"	3.021828
"437044"	370.243623	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+NH4"	18.033823
"794757"	546.348523	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+NH4"	18.033823
"1693275"	194.138723	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+NH4"	18.033823
"342647"	185.6254495	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+H+NH4"	19.041099
"736161"	273.6778995	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+H+NH4"	19.041099
"1485612"	97.5729995	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H+NH4"	19.041099
"399918"	375.199018	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+Na"	22.989218
"757634"	551.303918	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+Na"	22.989218
"1607921"	199.094118	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Na"	22.989218
"319053"	188.103147	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+H+Na"	23.996494
"711474"	276.155597	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+H+Na"	23.996494
"1470761"	100.050697	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H+Na"	23.996494
"1063641"	67.0362233333333	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2H+Na"	25.00377
"1266781"	209.138386	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+CH3OH+H"	33.033486
"389000"	391.172958	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+K"	38.963158
"748901"	567.277858	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+K"	38.963158
"1547307"	215.068058	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+K"	38.963158
"303386"	196.090117	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+H+K"	39.970434
"695077"	284.142567	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+H+K"	39.970434
"1446018"	108.037667	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H+K"	39.970434
"236109"	394.243626	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+ACN+H"	42.033826
"1210113"	218.138726	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+ACN+H"	42.033826
"1194359"	109.573001	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+ACN+2H"	43.041102
"188727"	397.18096	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+2Na-H"	44.97116
"630168"	573.28586	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+2Na-H"	44.97116
"1136230"	221.07606	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2Na-H"	44.97116
"188442"	199.094118	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+2Na"	45.978436
"626010"	287.146568	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+2Na"	45.978436
"1128057"	111.041668	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2Na"	45.978436
"1409393"	74.3635373333333	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H+2Na"	46.985712
"1441512"	223.117646	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H+HCOOH"	47.012746
"227926"	204.12714	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+3H2O+2H"	56.04448
"1523285"	237.16969	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+IsoProp+H"	61.06479
"415678"	207.081088	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+Na+K"	61.952376
"774483"	295.133538	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+Na+K"	61.952376
"1679561"	119.028638	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Na+K"	61.952376
"254053"	416.225568	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+ACN+Na"	64.015768
"1234416"	240.120668	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+ACN+Na"	64.015768
"1724395"	240.144193	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+NH4+HCOOH"	64.039293
"1179907"	81.6908513333333	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+3Na"	68.967654
"1653080"	245.099588	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Na+HCOOH"	68.994688
"159942"	429.12884	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+2K-H"	76.91904
"598772"	605.23374	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+2K-H"	76.91904
"1085108"	253.02394	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2K-H"	76.91904
"142896"	215.068058	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"2M+2K"	77.926316
"584772"	303.120508	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"3M+2K"	77.926316
"1069895"	127.015608	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2K"	77.926316
"1103593"	255.038492	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2K+H"	78.933592
"1337059"	255.126107	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+DMSO+H"	79.021207
"1010696"	259.165276	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2ACN+H"	83.060376
"1529916"	260.158908	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+IsoProp+Na+H"	84.054008
"993083"	130.086276	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+2ACN+2H"	84.067652
"1594147"	261.073528	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+K+HCOOH"	84.968628
"1424181"	291.105038	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+H+CF3COOH"	115.000138
"1147906"	150.599551	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+3ACN+2H"	125.094202
"1704023"	308.131585	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+NH4+CF3COOH"	132.026685
"1647328"	313.08698	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+Na+CF3COOH"	136.98208
"1578605"	329.06092	"C18744"	"Metaldehyde"	"C8H16O4"	"176.1049"	"M+K+CF3COOH"	152.95602
"808971"	240.0221	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M"	0
"987972"	221.00371	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-H2O-H"	-19.01839
"78165"	159.007457333333	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M-3H"	-3.021828
"518130"	239.014824	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M-3H"	-3.021828
"892484"	79.0000906666667	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-3H"	-3.021828
"14712"	239.014824	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M-2H"	-2.014552
"454796"	359.025874	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M-2H"	-2.014552
"831345"	119.003774	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-2H"	-2.014552
"92430"	479.036924	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M-H"	-1.007276
"532599"	719.059024	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M-H"	-1.007276
"910289"	239.014824	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-H"	-1.007276
"61623"	496.063471	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M-2H+NH4"	16.019271
"499604"	736.085571	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M-2H+NH4"	16.019271
"874246"	256.041371	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-2H+NH4"	16.019271
"41051"	501.018866	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M-2H+Na"	20.974666
"484627"	741.040966	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M-2H+Na"	20.974666
"863404"	260.996766	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-2H+Na"	20.974666
"1630141"	260.996766	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Na-2H"	20.974666
"107761"	257.003163	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M-H+Cl"	33.962126
"537479"	377.014213	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M-H+Cl"	33.962126
"934274"	136.992113	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-H+Cl"	33.962126
"276113"	515.013602	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+Cl"	34.969402
"674004"	755.035702	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+Cl"	34.969402
"1282033"	274.991502	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Cl"	34.969402
"23496"	516.992806	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M-2H+K"	36.948606
"466335"	757.014906	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M-2H+K"	36.948606
"838668"	276.970706	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-2H+K"	36.948606
"1562159"	276.970706	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+K-2H"	36.948606
"953320"	285.020294	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-H+HCOOH"	44.998194
"366069"	525.042401	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+HCOOH-H"	44.998201
"347767"	539.058051	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+Hac-H"	59.013851
"1494409"	299.035951	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Hac-H"	59.013851
"971802"	307.002251	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-H+NaCOOH"	66.980151
"122899"	274.991502	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+2Cl"	69.938804
"563552"	395.002552	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+2Cl"	69.938804
"1035632"	154.980452	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2Cl"	69.938804
"1256303"	318.940985	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Br"	78.918885
"1318024"	320.996972	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Cl+HCOOH"	80.974872
"1335155"	342.978929	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Cl+NaCOOH"	102.956829
"925488"	353.007686	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M-H+CF3COOH"	112.985586
"1300371"	388.984364	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Cl+CF3COOH"	148.962264
"1378896"	205.009424	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H-2H2O"	-35.012676
"1393112"	223.0194	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H-H2O"	-17.0027
"284171"	481.051476	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+H"	1.007276
"677563"	721.073576	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+H"	1.007276
"1351849"	241.029376	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H"	1.007276
"139808"	241.029376	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+2H"	2.014552
"579491"	361.040426	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+2H"	2.014552
"1048290"	121.018326	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2H"	2.014552
"219722"	161.022009333333	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+3H"	3.021828
"659646"	241.029376	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+3H"	3.021828
"1176798"	81.0146426666667	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+3H"	3.021828
"438248"	498.078023	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+NH4"	18.033823
"794867"	738.100123	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+NH4"	18.033823
"1694478"	258.055923	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+NH4"	18.033823
"344341"	249.5426495	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+H+NH4"	19.041099
"736638"	369.5536995	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+H+NH4"	19.041099
"1482442"	129.5315995	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H+NH4"	19.041099
"398934"	503.033418	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+Na"	22.989218
"756651"	743.055518	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+Na"	22.989218
"1609126"	263.011318	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Na"	22.989218
"319163"	252.020347	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+H+Na"	23.996494
"711584"	372.031397	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+H+Na"	23.996494
"1468684"	132.009297	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H+Na"	23.996494
"1063022"	88.3419566666667	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2H+Na"	25.00377
"1267984"	273.055586	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+CH3OH+H"	33.033486
"388380"	519.007358	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+K"	38.963158
"748645"	759.029458	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+K"	38.963158
"1546323"	278.985258	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+K"	38.963158
"301309"	260.007317	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+H+K"	39.970434
"692510"	380.018367	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+H+K"	39.970434
"1446330"	139.996267	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H+K"	39.970434
"237361"	522.078026	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+ACN+H"	42.033826
"1209925"	282.055926	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+ACN+H"	42.033826
"1195656"	141.531601	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+ACN+2H"	43.041102
"189621"	525.01536	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+2Na-H"	44.97116
"631372"	765.03746	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+2Na-H"	44.97116
"1137433"	284.99326	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2Na-H"	44.97116
"187538"	263.011318	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+2Na"	45.978436
"625391"	383.022368	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+2Na"	45.978436
"1128168"	143.000268	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2Na"	45.978436
"1408411"	95.6692706666667	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H+2Na"	46.985712
"1441627"	287.034846	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H+HCOOH"	47.012746
"229130"	268.04434	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+3H2O+2H"	56.04448
"1519751"	301.08689	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+IsoProp+H"	61.06479
"415787"	270.998288	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+Na+K"	61.952376
"775685"	391.009338	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+Na+K"	61.952376
"1677486"	150.987238	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Na+K"	61.952376
"264003"	544.059968	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+ACN+Na"	64.015768
"1238904"	304.037868	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+ACN+Na"	64.015768
"1725963"	304.061393	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+NH4+HCOOH"	64.039293
"1181110"	102.996584666667	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+3Na"	68.967654
"1655379"	309.016788	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Na+HCOOH"	68.994688
"160418"	556.96324	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+2K-H"	76.91904
"601434"	796.98534	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+2K-H"	76.91904
"1086678"	316.94114	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2K-H"	76.91904
"144222"	278.985258	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"2M+2K"	77.926316
"583789"	398.996308	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"3M+2K"	77.926316
"1071586"	158.974208	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2K"	77.926316
"1103703"	318.955692	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2K+H"	78.933592
"1336805"	319.043307	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+DMSO+H"	79.021207
"1013722"	323.082476	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2ACN+H"	83.060376
"1530026"	324.076108	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+IsoProp+Na+H"	84.054008
"993557"	162.044876	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+2ACN+2H"	84.067652
"1597537"	324.990728	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+K+HCOOH"	84.968628
"1422104"	355.022238	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+H+CF3COOH"	115.000138
"1149110"	182.558151	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+3ACN+2H"	125.094202
"1705227"	372.048785	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+NH4+CF3COOH"	132.026685
"1645251"	377.00418	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+Na+CF3COOH"	136.98208
"1578715"	392.97812	"C18745"	"Methacrifos"	"C7H13O5PS"	"240.0221"	"M+K+CF3COOH"	152.95602
"814550"	261.0129	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M"	0
"983709"	241.99451	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-H2O-H"	-19.01839
"78071"	173.001324	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M-3H"	-3.021828
"517962"	260.005624	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M-3H"	-3.021828
"894782"	85.997024	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-3H"	-3.021828
"11171"	260.005624	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M-2H"	-2.014552
"452555"	390.512074	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M-2H"	-2.014552
"831453"	129.499174	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-2H"	-2.014552
"93877"	521.018524	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M-H"	-1.007276
"533200"	782.031424	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M-H"	-1.007276
"905899"	260.005624	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-H"	-1.007276
"60640"	538.045071	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M-2H+NH4"	16.019271
"499714"	799.057971	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M-2H+NH4"	16.019271
"874356"	277.032171	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-2H+NH4"	16.019271
"41161"	543.000466	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M-2H+Na"	20.974666
"485954"	804.013366	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M-2H+Na"	20.974666
"863516"	281.987566	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-2H+Na"	20.974666
"1629887"	281.987566	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Na-2H"	20.974666
"106414"	277.993963	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M-H+Cl"	33.962126
"536496"	408.500413	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M-H+Cl"	33.962126
"932198"	147.487513	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-H+Cl"	33.962126
"278410"	556.995202	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+Cl"	34.969402
"674480"	818.008102	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+Cl"	34.969402
"1285423"	295.982302	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Cl"	34.969402
"26886"	558.974406	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M-2H+K"	36.948606
"469362"	819.987306	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M-2H+K"	36.948606
"838778"	297.961506	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-2H+K"	36.948606
"1564456"	297.961506	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+K-2H"	36.948606
"955617"	306.011094	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-H+HCOOH"	44.998194
"362899"	567.024001	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+HCOOH-H"	44.998201
"347877"	581.039651	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+Hac-H"	59.013851
"1494519"	320.026751	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Hac-H"	59.013851
"973008"	327.993051	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-H+NaCOOH"	66.980151
"125561"	295.982302	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+2Cl"	69.938804
"563662"	426.488752	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+2Cl"	69.938804
"1035742"	165.475852	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2Cl"	69.938804
"1255321"	339.931785	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Br"	78.918885
"1319108"	341.987772	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Cl+HCOOH"	80.974872
"1333446"	363.969729	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Cl+NaCOOH"	102.956829
"925722"	373.998486	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M-H+CF3COOH"	112.985586
"1300848"	409.975164	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Cl+CF3COOH"	148.962264
"1379006"	226.000224	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H-2H2O"	-35.012676
"1394316"	244.0102	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H-H2O"	-17.0027
"284402"	523.033076	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+H"	1.007276
"676701"	784.045976	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+H"	1.007276
"1353654"	262.020176	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H"	1.007276
"136395"	262.020176	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+2H"	2.014552
"577779"	392.526626	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+2H"	2.014552
"1046213"	131.513726	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2H"	2.014552
"219749"	175.015876	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+3H"	3.021828
"657323"	262.020176	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+3H"	3.021828
"1178127"	88.011576	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+3H"	3.021828
"439371"	540.059623	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+NH4"	18.033823
"797164"	801.072523	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+NH4"	18.033823
"1689121"	279.046723	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+NH4"	18.033823
"343597"	270.5334495	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+H+NH4"	19.041099
"734194"	401.0398995	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+H+NH4"	19.041099
"1484741"	140.0269995	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H+NH4"	19.041099
"397956"	545.015018	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+Na"	22.989218
"762231"	806.027918	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+Na"	22.989218
"1609236"	284.002118	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Na"	22.989218
"318179"	273.011147	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+H+Na"	23.996494
"716069"	403.517597	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+H+Na"	23.996494
"1472804"	142.504697	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H+Na"	23.996494
"1062404"	95.33889	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2H+Na"	25.00377
"1271375"	294.046386	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+CH3OH+H"	33.033486
"389948"	560.988958	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+K"	38.963158
"746567"	822.001858	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+K"	38.963158
"1546433"	299.976058	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+K"	38.963158
"301419"	280.998117	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+H+K"	39.970434
"692254"	411.504567	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+H+K"	39.970434
"1446196"	150.491667	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H+K"	39.970434
"237106"	564.059626	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+ACN+H"	42.033826
"1211151"	303.046726	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+ACN+H"	42.033826
"1195400"	152.027001	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+ACN+2H"	43.041102
"190824"	566.99696	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+2Na-H"	44.97116
"632940"	828.00986	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+2Na-H"	44.97116
"1139730"	305.98406	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2Na-H"	44.97116
"188012"	284.002118	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+2Na"	45.978436
"626596"	414.508568	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+2Na"	45.978436
"1129373"	153.495668	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2Na"	45.978436
"1411801"	102.666204	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H+2Na"	46.985712
"1443195"	308.025646	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H+HCOOH"	47.012746
"229241"	289.03514	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+3H2O+2H"	56.04448
"1520590"	322.07769	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+IsoProp+H"	61.06479
"415897"	291.989088	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+Na+K"	61.952376
"777983"	422.495538	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+Na+K"	61.952376
"1677961"	161.482638	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Na+K"	61.952376
"263750"	586.041568	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+ACN+Na"	64.015768
"1238650"	325.028668	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+ACN+Na"	64.015768
"1725347"	325.052193	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+NH4+HCOOH"	64.039293
"1183410"	109.993518	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+3Na"	68.967654
"1658769"	330.007588	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Na+HCOOH"	68.994688
"161257"	598.94484	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+2K-H"	76.91904
"600088"	859.95774	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+2K-H"	76.91904
"1086424"	337.93194	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2K-H"	76.91904
"143968"	299.976058	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"2M+2K"	77.926316
"582806"	430.482508	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"3M+2K"	77.926316
"1072790"	169.469608	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2K"	77.926316
"1100896"	339.946492	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2K+H"	78.933592
"1338008"	340.034107	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+DMSO+H"	79.021207
"1014196"	344.073276	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2ACN+H"	83.060376
"1530136"	345.066908	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+IsoProp+Na+H"	84.054008
"993303"	172.540276	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+2ACN+2H"	84.067652
"1597283"	345.981528	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+K+HCOOH"	84.968628
"1426225"	376.013038	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+H+CF3COOH"	115.000138
"1152502"	193.053551	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+3ACN+2H"	125.094202
"1708617"	393.039585	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+NH4+CF3COOH"	132.026685
"1640987"	397.99498	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+Na+CF3COOH"	136.98208
"1578825"	413.96892	"C18746"	"Methasulfocarb"	"C9H11NO4S2"	"261.0129"	"M+K+CF3COOH"	152.95602
"816807"	165.079	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M"	0
"989529"	146.06061	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"76800"	109.045390666667	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"518504"	164.071724	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"894892"	54.0190573333333	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"11648"	164.071724	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"451934"	246.611224	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"826458"	81.532224	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"88637"	329.150724	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"531478"	494.229724	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"907097"	164.071724	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"62333"	346.177271	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"501769"	511.256271	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"877744"	181.098271	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"41271"	351.132666	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"485577"	516.211666	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"858639"	186.053666	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1630359"	186.053666	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"102513"	182.060063	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"540979"	264.599563	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"933400"	99.520563	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"276332"	365.127402	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"669849"	530.206402	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1285533"	200.048402	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"29182"	367.106606	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"470447"	532.185606	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"847274"	202.027606	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1570033"	202.027606	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"956821"	210.077194	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"372853"	375.156201	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"352361"	389.171851	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1499005"	224.092851	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"967645"	232.059151	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"124582"	200.048402	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"564500"	282.587902	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1036218"	117.508902	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1256159"	243.997885	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1318612"	246.053872	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1333191"	268.035829	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"924246"	278.064586	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1294394"	314.041264	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1376930"	130.066324	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1390051"	148.0763	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"284388"	331.165276	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"677783"	496.244276	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1353398"	166.086276	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"125921"	166.086276	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"579346"	248.625776	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1043041"	83.546776	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"209849"	111.059942666667	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"658526"	166.086276	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1177629"	56.0336093333333	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"439561"	348.191823	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"798367"	513.270823	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1690324"	183.112823	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"345611"	174.5995495	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"734304"	257.1390495	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1490683"	92.0600495	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"402439"	353.147218	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"762344"	518.226218	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1609348"	188.068218	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"321572"	177.077247	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"719096"	259.616747	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1475466"	94.537747	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1063607"	63.3609233333333	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1272214"	198.112486	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"389693"	369.121158	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"745584"	534.200158	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1547636"	204.042158	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"300436"	185.064217	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"692489"	267.603717	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1446673"	102.524717	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"237459"	372.191826	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1213087"	207.112826	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1195876"	104.060051	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"190934"	375.12916	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"632319"	540.20816	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1139840"	210.05016	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"187146"	188.068218	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"627559"	270.607718	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1130827"	105.528718	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1413413"	70.6882373333333	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1444034"	212.091746	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"234091"	193.10124	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1519605"	226.14379	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"416009"	196.055188	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"777003"	278.594688	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1674425"	113.515688	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"257664"	394.173768	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1235840"	229.094768	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1724728"	229.118293	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1184615"	78.0155513333333	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1661067"	234.073688	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"161368"	407.07704	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"605305"	572.15604	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1088724"	241.99804	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"144809"	204.042158	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"586196"	286.581658	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1079827"	121.502658	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1103923"	244.012592	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1339211"	244.100207	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1014306"	248.139376	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1530246"	249.133008	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"994506"	124.573326	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1589129"	250.047628	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1426335"	280.079138	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1159173"	145.086601	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1705447"	297.105685	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1641097"	302.06108	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1578935"	318.03502	"C18747"	"Metolcarb;Tsumacide;MTMC"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"809301"	255.9209	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M"	0
"981740"	236.90251	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-H2O-H"	-19.01839
"65610"	169.606657333333	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M-3H"	-3.021828
"512824"	254.913624	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M-3H"	-3.021828
"895003"	84.2996906666667	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-3H"	-3.021828
"12486"	254.913624	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M-2H"	-2.014552
"452044"	382.874074	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M-2H"	-2.014552
"826568"	126.953174	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-2H"	-2.014552
"92027"	510.834524	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M-H"	-1.007276
"531588"	766.755424	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M-H"	-1.007276
"908300"	254.913624	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-H"	-1.007276
"62192"	527.861071	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M-2H+NH4"	16.019271
"501146"	783.781971	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M-2H+NH4"	16.019271
"874573"	271.940171	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-2H+NH4"	16.019271
"39194"	532.816466	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M-2H+Na"	20.974666
"484226"	788.737366	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M-2H+Na"	20.974666
"856561"	276.895566	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-2H+Na"	20.974666
"1627186"	276.895566	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Na-2H"	20.974666
"100434"	272.901963	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M-H+Cl"	33.962126
"539994"	400.862413	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M-H+Cl"	33.962126
"930228"	144.941513	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-H+Cl"	33.962126
"269881"	546.811202	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+Cl"	34.969402
"666676"	802.732102	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+Cl"	34.969402
"1282363"	290.890302	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Cl"	34.969402
"28199"	548.790406	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M-2H+K"	36.948606
"468854"	804.711306	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M-2H+K"	36.948606
"846655"	292.869506	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-2H+K"	36.948606
"1569779"	292.869506	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+K-2H"	36.948606
"956569"	300.919094	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-H+HCOOH"	44.998194
"372963"	556.840001	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+HCOOH-H"	44.998201
"353564"	570.855651	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+Hac-H"	59.013851
"1502395"	314.934751	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Hac-H"	59.013851
"967755"	322.901051	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-H+NaCOOH"	66.980151
"125176"	290.890302	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+2Cl"	69.938804
"564610"	418.850752	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+2Cl"	69.938804
"1036207"	162.929852	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2Cl"	69.938804
"1255905"	334.839785	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Br"	78.918885
"1317628"	336.895772	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Cl+HCOOH"	80.974872
"1333666"	358.877729	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Cl+NaCOOH"	102.956829
"923263"	368.906486	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M-H+CF3COOH"	112.985586
"1299970"	404.883164	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Cl+CF3COOH"	148.962264
"1377040"	220.908224	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H-2H2O"	-35.012676
"1390161"	238.9182	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H-H2O"	-17.0027
"284379"	512.849076	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+H"	1.007276
"676797"	768.769976	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+H"	1.007276
"1353510"	256.928176	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H"	1.007276
"126762"	256.928176	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+2H"	2.014552
"573259"	384.888626	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+2H"	2.014552
"1038408"	128.967726	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2H"	2.014552
"211052"	171.621209333333	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+3H"	3.021828
"659898"	256.928176	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+3H"	3.021828
"1178224"	86.3142426666667	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+3H"	3.021828
"439186"	529.875623	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+NH4"	18.033823
"796656"	785.796523	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+NH4"	18.033823
"1688247"	273.954723	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+NH4"	18.033823
"344181"	265.4414495	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+H+NH4"	19.041099
"734414"	393.4018995	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+H+NH4"	19.041099
"1491888"	137.4809995	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H+NH4"	19.041099
"401458"	534.831018	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+Na"	22.989218
"764641"	790.751918	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+Na"	22.989218
"1610552"	278.910118	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Na"	22.989218
"324962"	267.919147	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+H+Na"	23.996494
"720663"	395.879597	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+H+Na"	23.996494
"1476303"	139.958697	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H+Na"	23.996494
"1062988"	93.6415566666667	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2H+Na"	25.00377
"1272614"	288.954386	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+CH3OH+H"	33.033486
"390167"	550.804958	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+K"	38.963158
"745694"	806.725858	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+K"	38.963158
"1545560"	294.884058	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+K"	38.963158
"300546"	275.906117	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+H+K"	39.970434
"694059"	403.866567	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+H+K"	39.970434
"1446784"	147.945667	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H+K"	39.970434
"236718"	553.875626	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+ACN+H"	42.033826
"1213197"	297.954726	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+ACN+H"	42.033826
"1194200"	149.481001	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+ACN+2H"	43.041102
"188645"	556.81296	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+2Na-H"	44.97116
"633158"	812.73386	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+2Na-H"	44.97116
"1139950"	300.89206	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2Na-H"	44.97116
"187989"	278.910118	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+2Na"	45.978436
"628034"	406.870568	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+2Na"	45.978436
"1131014"	150.949668	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2Na"	45.978436
"1411900"	100.968870666667	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H+2Na"	46.985712
"1445321"	302.933646	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H+HCOOH"	47.012746
"233836"	283.94314	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+3H2O+2H"	56.04448
"1522627"	316.98569	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+IsoProp+H"	61.06479
"422314"	286.897088	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+Na+K"	61.952376
"784402"	414.857538	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+Na+K"	61.952376
"1673441"	158.936638	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Na+K"	61.952376
"261055"	575.857568	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+ACN+Na"	64.015768
"1235951"	319.936668	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+ACN+Na"	64.015768
"1724837"	319.960193	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+NH4+HCOOH"	64.039293
"1189102"	108.296184666667	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+3Na"	68.967654
"1660084"	324.915588	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Na+HCOOH"	68.994688
"161842"	588.76084	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+2K-H"	76.91904
"602135"	844.68174	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+2K-H"	76.91904
"1088834"	332.83994	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2K-H"	76.91904
"143826"	294.884058	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"2M+2K"	77.926316
"586306"	422.844508	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"3M+2K"	77.926316
"1078478"	166.923608	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2K"	77.926316
"1101116"	334.854492	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2K+H"	78.933592
"1336158"	334.942107	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+DMSO+H"	79.021207
"1017696"	338.981276	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2ACN+H"	83.060376
"1530356"	339.974908	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+IsoProp+Na+H"	84.054008
"993523"	169.994276	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+2ACN+2H"	84.067652
"1589239"	340.889528	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+K+HCOOH"	84.968628
"1427538"	370.921038	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+H+CF3COOH"	115.000138
"1159283"	190.507551	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+3ACN+2H"	125.094202
"1705557"	387.947585	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+NH4+CF3COOH"	132.026685
"1641207"	392.90298	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+Na+CF3COOH"	136.98208
"1579045"	408.87692	"C18748"	"Nabam"	"C4H6N2S42Na"	"255.9209"	"M+K+CF3COOH"	152.95602
"809411"	377.7826	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M"	0
"984037"	358.76421	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-H2O-H"	-19.01839
"69000"	250.847790666667	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M-3H"	-3.021828
"516214"	376.775324	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M-3H"	-3.021828
"894505"	124.920257333333	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-3H"	-3.021828
"8220"	376.775324	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M-2H"	-2.014552
"449968"	565.666624	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M-2H"	-2.014552
"832150"	187.884024	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-2H"	-2.014552
"93477"	754.557924	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M-H"	-1.007276
"533532"	1132.340524	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M-H"	-1.007276
"906221"	376.775324	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-H"	-1.007276
"61327"	771.584471	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M-2H+NH4"	16.019271
"499067"	1149.367071	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M-2H+NH4"	16.019271
"878819"	393.801871	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-2H+NH4"	16.019271
"40397"	776.539866	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M-2H+Na"	20.974666
"482149"	1154.322466	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M-2H+Na"	20.974666
"857761"	398.757266	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-2H+Na"	20.974666
"1629119"	398.757266	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Na-2H"	20.974666
"97263"	394.763663	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M-H+Cl"	33.962126
"540106"	583.654963	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M-H+Cl"	33.962126
"932525"	205.872363	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-H+Cl"	33.962126
"269991"	790.534602	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+Cl"	34.969402
"666786"	1168.317202	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+Cl"	34.969402
"1283565"	412.752002	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Cl"	34.969402
"28309"	792.513806	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M-2H+K"	36.948606
"468598"	1170.296406	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M-2H+K"	36.948606
"847495"	414.731206	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-2H+K"	36.948606
"1570863"	414.731206	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+K-2H"	36.948606
"957042"	422.780794	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-H+HCOOH"	44.998194
"373800"	800.563401	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+HCOOH-H"	44.998201
"356954"	814.579051	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+Hac-H"	59.013851
"1501412"	436.796451	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Hac-H"	59.013851
"970781"	444.762751	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-H+NaCOOH"	66.980151
"125489"	412.752002	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+2Cl"	69.938804
"563870"	601.643302	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+2Cl"	69.938804
"1036681"	223.860702	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2Cl"	69.938804
"1253462"	456.701485	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Br"	78.918885
"1319318"	458.757472	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Cl+HCOOH"	80.974872
"1334506"	480.739429	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Cl+NaCOOH"	102.956829
"923373"	490.768186	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M-H+CF3COOH"	112.985586
"1301174"	526.744864	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Cl+CF3COOH"	148.962264
"1377150"	342.769924	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H-2H2O"	-35.012676
"1394645"	360.7799	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H-H2O"	-17.0027
"285582"	756.572476	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+H"	1.007276
"676907"	1134.355076	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+H"	1.007276
"1352893"	378.789876	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H"	1.007276
"129794"	378.789876	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+2H"	2.014552
"574462"	567.681176	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+2H"	2.014552
"1038518"	189.898576	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2H"	2.014552
"212255"	252.862342666667	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+3H"	3.021828
"659399"	378.789876	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+3H"	3.021828
"1173958"	126.934809333333	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+3H"	3.021828
"432855"	773.599023	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+NH4"	18.033823
"796766"	1151.381623	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+NH4"	18.033823
"1691637"	395.816423	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+NH4"	18.033823
"342833"	387.3031495	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+H+NH4"	19.041099
"733431"	576.1944495	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+H+NH4"	19.041099
"1490905"	198.4118495	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H+NH4"	19.041099
"401567"	778.554418	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+Na"	22.989218
"761469"	1156.337018	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+Na"	22.989218
"1607382"	400.771818	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Na"	22.989218
"326165"	389.780847	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+H+Na"	23.996494
"720408"	578.672147	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+H+Na"	23.996494
"1474226"	200.889547	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H+Na"	23.996494
"1062005"	134.262123333333	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2H+Na"	25.00377
"1272732"	410.816086	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+CH3OH+H"	33.033486
"388090"	794.528358	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+K"	38.963158
"744711"	1172.310958	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+K"	38.963158
"1544577"	416.745758	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+K"	38.963158
"300657"	397.767817	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+H+K"	39.970434
"691982"	586.659117	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+H+K"	39.970434
"1446162"	208.876517	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H+K"	39.970434
"235978"	797.599026	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+ACN+H"	42.033826
"1212214"	419.816426	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+ACN+H"	42.033826
"1194198"	210.411851	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+ACN+2H"	43.041102
"188586"	800.53636	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+2Na-H"	44.97116
"629622"	1178.31896	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+2Na-H"	44.97116
"1143340"	422.75376	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2Na-H"	44.97116
"186632"	400.771818	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+2Na"	45.978436
"627295"	589.663118	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+2Na"	45.978436
"1128612"	211.880518	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2Na"	45.978436
"1412865"	141.589437333333	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H+2Na"	46.985712
"1443888"	424.795346	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H+HCOOH"	47.012746
"231760"	405.80484	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+3H2O+2H"	56.04448
"1520914"	438.84739	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+IsoProp+H"	61.06479
"421332"	408.758788	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+Na+K"	61.952376
"783420"	597.650088	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+Na+K"	61.952376
"1679019"	219.867488	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Na+K"	61.952376
"258612"	819.580968	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+ACN+Na"	64.015768
"1236059"	441.798368	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+ACN+Na"	64.015768
"1720574"	441.821893	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+NH4+HCOOH"	64.039293
"1184471"	148.916751333333	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+3Na"	68.967654
"1658007"	446.777288	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Na+HCOOH"	68.994688
"163774"	832.48424	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+2K-H"	76.91904
"598962"	1210.26684	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+2K-H"	76.91904
"1090038"	454.70164	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2K-H"	76.91904
"144667"	416.745758	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"2M+2K"	77.926316
"584230"	605.637058	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"3M+2K"	77.926316
"1078589"	227.854458	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2K"	77.926316
"1100863"	456.716192	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2K+H"	78.933592
"1335745"	456.803807	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+DMSO+H"	79.021207
"1017806"	460.842976	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2ACN+H"	83.060376
"1535934"	461.836608	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+IsoProp+Na+H"	84.054008
"995819"	230.925126	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+2ACN+2H"	84.067652
"1590686"	462.751228	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+K+HCOOH"	84.968628
"1427284"	492.782738	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+H+CF3COOH"	115.000138
"1159393"	251.438401	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+3ACN+2H"	125.094202
"1705667"	509.809285	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+NH4+CF3COOH"	132.026685
"1641317"	514.76468	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+Na+CF3COOH"	136.98208
"1579155"	530.73862	"C18749"	"Naled"	"C4H7Br2Cl2O4P"	"377.7826"	"M+K+CF3COOH"	152.95602
"809521"	202.063	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M"	0
"986335"	183.04461	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-H2O-H"	-19.01839
"75669"	133.701390666667	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M-3H"	-3.021828
"513044"	201.055724	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M-3H"	-3.021828
"881368"	66.3470573333333	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-3H"	-3.021828
"12705"	201.055724	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M-2H"	-2.014552
"455068"	302.087224	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M-2H"	-2.014552
"831903"	100.024224	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-2H"	-2.014552
"93833"	403.118724	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M-H"	-1.007276
"533725"	605.181724	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M-H"	-1.007276
"904144"	201.055724	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-H"	-1.007276
"60955"	420.145271	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M-2H+NH4"	16.019271
"498084"	622.208271	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M-2H+NH4"	16.019271
"876617"	218.082271	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-2H+NH4"	16.019271
"45005"	425.100666	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M-2H+Na"	20.974666
"481166"	627.163666	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M-2H+Na"	20.974666
"859331"	223.037666	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-2H+Na"	20.974666
"1628500"	223.037666	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Na-2H"	20.974666
"96644"	219.044063	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M-H+Cl"	33.962126
"541309"	320.075563	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M-H+Cl"	33.962126
"932637"	118.012563	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-H+Cl"	33.962126
"270101"	439.095402	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+Cl"	34.969402
"666896"	641.158402	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+Cl"	34.969402
"1283672"	237.032402	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Cl"	34.969402
"24045"	441.074606	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M-2H+K"	36.948606
"468708"	643.137606	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M-2H+K"	36.948606
"846874"	239.011606	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-2H+K"	36.948606
"1569270"	239.011606	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+K-2H"	36.948606
"956058"	247.061194	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-H+HCOOH"	44.998194
"373913"	449.124201	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+HCOOH-H"	44.998201
"359252"	463.139851	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+Hac-H"	59.013851
"1505897"	261.076851	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Hac-H"	59.013851
"967971"	269.043151	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-H+NaCOOH"	66.980151
"119064"	237.032402	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+2Cl"	69.938804
"553523"	338.063902	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+2Cl"	69.938804
"1036507"	136.000902	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2Cl"	69.938804
"1253572"	280.981885	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Br"	78.918885
"1319670"	283.037872	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Cl+HCOOH"	80.974872
"1335102"	305.019829	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Cl+NaCOOH"	102.956829
"924576"	315.048586	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M-H+CF3COOH"	112.985586
"1301285"	351.025264	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Cl+CF3COOH"	148.962264
"1377260"	167.050324	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H-2H2O"	-35.012676
"1396577"	185.0603	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H-H2O"	-17.0027
"291160"	405.133276	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+H"	1.007276
"681394"	607.196276	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+H"	1.007276
"1359930"	203.070276	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H"	1.007276
"129540"	203.070276	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+2H"	2.014552
"574572"	304.101776	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+2H"	2.014552
"1039721"	102.038776	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2H"	2.014552
"213458"	135.715942666667	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+3H"	3.021828
"658133"	203.070276	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+3H"	3.021828
"1176620"	68.3616093333333	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+3H"	3.021828
"435152"	422.159823	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+NH4"	18.033823
"796876"	624.222823	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+NH4"	18.033823
"1691747"	220.096823	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+NH4"	18.033823
"342215"	211.5835495	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+H+NH4"	19.041099
"732448"	312.6150495	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+H+NH4"	19.041099
"1490289"	110.5520495	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H+NH4"	19.041099
"400584"	427.115218	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+Na"	22.989218
"761579"	629.178218	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+Na"	22.989218
"1609679"	225.052218	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Na"	22.989218
"322997"	214.061247	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+H+Na"	23.996494
"717604"	315.092747	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+H+Na"	23.996494
"1474339"	113.029747	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H+Na"	23.996494
"1064303"	75.6889233333333	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2H+Na"	25.00377
"1270964"	235.096486	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+CH3OH+H"	33.033486
"387836"	443.089158	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+K"	38.963158
"744821"	645.152158	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+K"	38.963158
"1544687"	241.026158	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+K"	38.963158
"301860"	222.048217	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+H+K"	39.970434
"694276"	323.079717	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+H+K"	39.970434
"1446637"	121.016717	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H+K"	39.970434
"237426"	446.159826	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+ACN+H"	42.033826
"1211593"	244.096826	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+ACN+H"	42.033826
"1194745"	122.552051	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+ACN+2H"	43.041102
"188591"	449.09716	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+2Na-H"	44.97116
"629732"	651.16016	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+2Na-H"	44.97116
"1140167"	247.03416	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2Na-H"	44.97116
"186866"	225.052218	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+2Na"	45.978436
"626674"	326.083718	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+2Na"	45.978436
"1130546"	124.020718	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2Na"	45.978436
"1411882"	83.0162373333333	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H+2Na"	46.985712
"1444604"	249.075746	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H+HCOOH"	47.012746
"235151"	230.08524	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+3H2O+2H"	56.04448
"1521874"	263.12779	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+IsoProp+H"	61.06479
"423264"	233.039188	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+Na+K"	61.952376
"783891"	334.070688	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+Na+K"	61.952376
"1679736"	132.007688	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Na+K"	61.952376
"264556"	468.141768	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+ACN+Na"	64.015768
"1237262"	266.078768	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+ACN+Na"	64.015768
"1723963"	266.102293	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+NH4+HCOOH"	64.039293
"1182392"	90.3435513333333	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+3Na"	68.967654
"1655928"	271.057688	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Na+HCOOH"	68.994688
"163884"	481.04504	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+2K-H"	76.91904
"598707"	683.10804	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+2K-H"	76.91904
"1090148"	278.98204	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2K-H"	76.91904
"146964"	241.026158	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"2M+2K"	77.926316
"585433"	342.057658	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"3M+2K"	77.926316
"1078699"	139.994658	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2K"	77.926316
"1102066"	280.996592	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2K+H"	78.933592
"1338449"	281.084207	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+DMSO+H"	79.021207
"1014635"	285.123376	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2ACN+H"	83.060376
"1537867"	286.117008	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+IsoProp+Na+H"	84.054008
"997023"	143.065326	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+2ACN+2H"	84.067652
"1593712"	287.031628	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+K+HCOOH"	84.968628
"1422654"	317.063138	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+H+CF3COOH"	115.000138
"1156222"	163.578601	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+3ACN+2H"	125.094202
"1700309"	334.089685	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+NH4+CF3COOH"	132.026685
"1635959"	339.04508	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+Na+CF3COOH"	136.98208
"1579265"	355.01902	"C18750"	"2-Napthyloxyacetic acid"	"C12H10O3"	"202.063"	"M+K+CF3COOH"	152.95602
"809631"	228.902	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M"	0
"985351"	209.88361	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-H2O-H"	-19.01839
"71406"	151.594057333333	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M-3H"	-3.021828
"509873"	227.894724	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M-3H"	-3.021828
"881842"	75.2933906666667	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-3H"	-3.021828
"13544"	227.894724	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M-2H"	-2.014552
"454809"	342.345724	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M-2H"	-2.014552
"831649"	113.443724	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-2H"	-2.014552
"93577"	456.796724	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M-H"	-1.007276
"533745"	685.698724	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M-H"	-1.007276
"907534"	227.894724	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-H"	-1.007276
"59724"	473.823271	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M-2H+NH4"	16.019271
"501110"	702.725271	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M-2H+NH4"	16.019271
"876726"	244.921271	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-2H+NH4"	16.019271
"45357"	478.778666	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M-2H+Na"	20.974666
"484915"	707.680666	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M-2H+Na"	20.974666
"857982"	249.876666	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-2H+Na"	20.974666
"1624233"	249.876666	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Na-2H"	20.974666
"97481"	245.883063	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M-H+Cl"	33.962126
"541415"	360.334063	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M-H+Cl"	33.962126
"932747"	131.432063	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-H+Cl"	33.962126
"275678"	492.773402	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+Cl"	34.969402
"671380"	721.675402	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+Cl"	34.969402
"1285969"	263.871402	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Cl"	34.969402
"27436"	494.752606	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M-2H+K"	36.948606
"468089"	723.654606	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M-2H+K"	36.948606
"843703"	265.850606	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-2H+K"	36.948606
"1568285"	265.850606	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+K-2H"	36.948606
"956169"	273.900194	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-H+HCOOH"	44.998194
"374023"	502.802201	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+HCOOH-H"	44.998201
"358269"	516.817851	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+Hac-H"	59.013851
"1501634"	287.915851	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Hac-H"	59.013851
"973551"	295.882151	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-H+NaCOOH"	66.980151
"119174"	263.871402	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+2Cl"	69.938804
"558736"	378.322402	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+2Cl"	69.938804
"1035199"	149.420402	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2Cl"	69.938804
"1253682"	307.820885	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Br"	78.918885
"1318324"	309.876872	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Cl+HCOOH"	80.974872
"1334484"	331.858829	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Cl+NaCOOH"	102.956829
"923229"	341.887586	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M-H+CF3COOH"	112.985586
"1300302"	377.864264	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Cl+CF3COOH"	148.962264
"1378463"	193.889324	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H-2H2O"	-35.012676
"1397051"	211.8993	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H-H2O"	-17.0027
"287990"	458.811276	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+H"	1.007276
"678224"	687.713276	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+H"	1.007276
"1357853"	229.909276	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H"	1.007276
"127098"	229.909276	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+2H"	2.014552
"574682"	344.360276	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+2H"	2.014552
"1043479"	115.458276	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2H"	2.014552
"214662"	153.608609333333	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+3H"	3.021828
"658607"	229.909276	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+3H"	3.021828
"1176613"	77.3079426666667	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+3H"	3.021828
"437451"	475.837823	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+NH4"	18.033823
"799173"	704.739823	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+NH4"	18.033823
"1691857"	246.935823	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+NH4"	18.033823
"343783"	238.4225495	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+H+NH4"	19.041099
"732558"	352.8735495	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+H+NH4"	19.041099
"1491616"	123.9715495	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H+NH4"	19.041099
"399601"	480.793218	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+Na"	22.989218
"762783"	709.695218	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+Na"	22.989218
"1613070"	251.891218	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Na"	22.989218
"328699"	240.900247	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+H+Na"	23.996494
"718807"	355.351247	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+H+Na"	23.996494
"1475906"	126.449247	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H+Na"	23.996494
"1064776"	84.6352566666667	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2H+Na"	25.00377
"1271561"	261.935486	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+CH3OH+H"	33.033486
"388310"	496.767158	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+K"	38.963158
"747118"	725.669158	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+K"	38.963158
"1546984"	267.865158	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+K"	38.963158
"301970"	248.887217	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+H+K"	39.970434
"694753"	363.338217	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+H+K"	39.970434
"1447840"	134.436217	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H+K"	39.970434
"238265"	499.837826	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+ACN+H"	42.033826
"1210974"	270.935826	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+ACN+H"	42.033826
"1194855"	135.971551	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+ACN+2H"	43.041102
"190279"	502.77516	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+2Na-H"	44.97116
"629112"	731.67716	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+2Na-H"	44.97116
"1140277"	273.87316	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2Na-H"	44.97116
"186491"	251.891218	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+2Na"	45.978436
"626904"	366.342218	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+2Na"	45.978436
"1129806"	137.440218	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2Na"	45.978436
"1412968"	91.9625706666667	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H+2Na"	46.985712
"1444960"	275.914746	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H+HCOOH"	47.012746
"233435"	256.92424	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+3H2O+2H"	56.04448
"1521863"	289.96679	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+IsoProp+H"	61.06479
"420821"	259.878188	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+Na+K"	61.952376
"783276"	374.329188	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+Na+K"	61.952376
"1677053"	145.427188	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Na+K"	61.952376
"262481"	521.819768	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+ACN+Na"	64.015768
"1236287"	292.917768	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+ACN+Na"	64.015768
"1723711"	292.941293	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+NH4+HCOOH"	64.039293
"1185418"	99.2898846666667	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+3Na"	68.967654
"1658227"	297.896688	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Na+HCOOH"	68.994688
"162535"	534.72304	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+2K-H"	76.91904
"600643"	763.62504	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+2K-H"	76.91904
"1089164"	305.82104	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2K-H"	76.91904
"143794"	267.865158	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"2M+2K"	77.926316
"583356"	382.316158	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"3M+2K"	77.926316
"1080632"	153.414158	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2K"	77.926316
"1104364"	307.835592	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2K+H"	78.933592
"1337708"	307.923207	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+DMSO+H"	79.021207
"1015839"	311.962376	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2ACN+H"	83.060376
"1537248"	312.956008	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+IsoProp+Na+H"	84.054008
"1000413"	156.484826	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+2ACN+2H"	84.067652
"1596009"	313.870628	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+K+HCOOH"	84.968628
"1422764"	343.902138	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+H+CF3COOH"	115.000138
"1156332"	176.998101	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+3ACN+2H"	125.094202
"1700419"	360.928685	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+NH4+CF3COOH"	132.026685
"1634323"	365.88408	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+Na+CF3COOH"	136.98208
"1579375"	381.85802	"C18751"	"Nitrapyrin"	"C6H3Cl4N"	"228.902"	"M+K+CF3COOH"	152.95602
"809741"	213.1187	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M"	0
"985461"	194.10031	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-H2O-H"	-19.01839
"71516"	141.071857333333	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M-3H"	-3.021828
"506703"	212.111424	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M-3H"	-3.021828
"882681"	70.0322906666667	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-3H"	-3.021828
"12925"	212.111424	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M-2H"	-2.014552
"454757"	318.670774	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M-2H"	-2.014552
"832738"	105.552074	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-2H"	-2.014552
"93077"	425.230124	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M-H"	-1.007276
"533858"	638.348824	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M-H"	-1.007276
"904364"	212.111424	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-H"	-1.007276
"59833"	442.256671	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M-2H+NH4"	16.019271
"502075"	655.375371	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M-2H+NH4"	16.019271
"878661"	229.137971	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-2H+NH4"	16.019271
"46848"	447.212066	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M-2H+Na"	20.974666
"484659"	660.330766	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M-2H+Na"	20.974666
"862099"	234.093366	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-2H+Na"	20.974666
"1626530"	234.093366	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Na-2H"	20.974666
"98320"	230.099763	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M-H+Cl"	33.962126
"541525"	336.659113	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M-H+Cl"	33.962126
"932857"	123.540413	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-H+Cl"	33.962126
"274696"	461.206802	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+Cl"	34.969402
"669303"	674.325502	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+Cl"	34.969402
"1284986"	248.088102	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Cl"	34.969402
"23172"	463.186006	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M-2H+K"	36.948606
"466015"	676.304706	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M-2H+K"	36.948606
"842719"	250.067306	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-2H+K"	36.948606
"1568398"	250.067306	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+K-2H"	36.948606
"951903"	258.116894	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-H+HCOOH"	44.998194
"374864"	471.235601	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+HCOOH-H"	44.998201
"359960"	485.251251	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+Hac-H"	59.013851
"1501744"	272.132551	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Hac-H"	59.013851
"973177"	280.098851	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-H+NaCOOH"	66.980151
"120378"	248.088102	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+2Cl"	69.938804
"564559"	354.647452	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+2Cl"	69.938804
"1035308"	141.528752	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2Cl"	69.938804
"1256347"	292.037585	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Br"	78.918885
"1318798"	294.093572	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Cl+HCOOH"	80.974872
"1332647"	316.075529	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Cl+NaCOOH"	102.956829
"922976"	326.104286	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M-H+CF3COOH"	112.985586
"1298223"	362.080964	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Cl+CF3COOH"	148.962264
"1377479"	178.106024	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H-2H2O"	-35.012676
"1392788"	196.116	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H-H2O"	-17.0027
"288463"	427.244676	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+H"	1.007276
"680155"	640.363376	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+H"	1.007276
"1359056"	214.125976	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H"	1.007276
"126841"	214.125976	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+2H"	2.014552
"573699"	320.685326	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+2H"	2.014552
"1043589"	107.566626	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2H"	2.014552
"214772"	143.086409333333	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+3H"	3.021828
"655429"	214.125976	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+3H"	3.021828
"1176112"	72.0468426666667	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+3H"	3.021828
"436103"	444.271223	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+NH4"	18.033823
"798919"	657.389923	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+NH4"	18.033823
"1689780"	231.152523	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+NH4"	18.033823
"343893"	222.6392495	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+H+NH4"	19.041099
"732668"	329.1985995	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+H+NH4"	19.041099
"1492090"	116.0798995	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H+NH4"	19.041099
"400804"	449.226618	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+Na"	22.989218
"762892"	662.345318	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+Na"	22.989218
"1613179"	236.107918	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Na"	22.989218
"327591"	225.116947	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+H+Na"	23.996494
"720010"	331.676297	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+H+Na"	23.996494
"1474922"	118.557597	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H+Na"	23.996494
"1063791"	79.3741566666667	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2H+Na"	25.00377
"1268752"	246.152186	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+CH3OH+H"	33.033486
"384045"	465.200558	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+K"	38.963158
"745039"	678.319258	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+K"	38.963158
"1544905"	252.081858	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+K"	38.963158
"303171"	233.103917	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+H+K"	39.970434
"695956"	339.663267	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+H+K"	39.970434
"1449411"	126.544567	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H+K"	39.970434
"237402"	468.271226	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+ACN+H"	42.033826
"1211326"	255.152526	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+ACN+H"	42.033826
"1194351"	128.079901	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+ACN+2H"	43.041102
"188967"	471.20856	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+2Na-H"	44.97116
"628894"	684.32726	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+2Na-H"	44.97116
"1139294"	258.08986	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2Na-H"	44.97116
"185868"	236.107918	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+2Na"	45.978436
"626528"	342.667268	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+2Na"	45.978436
"1130039"	129.548568	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2Na"	45.978436
"1413441"	86.7014706666667	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H+2Na"	46.985712
"1445312"	260.131446	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H+HCOOH"	47.012746
"234760"	241.14094	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+3H2O+2H"	56.04448
"1523840"	274.18349	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+IsoProp+H"	61.06479
"423366"	244.094888	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+Na+K"	61.952376
"783019"	350.654238	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+Na+K"	61.952376
"1680443"	137.535538	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Na+K"	61.952376
"261498"	490.253168	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+ACN+Na"	64.015768
"1235300"	277.134468	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+ACN+Na"	64.015768
"1723092"	277.157993	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+NH4+HCOOH"	64.039293
"1183344"	94.0287846666667	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+3Na"	68.967654
"1658337"	282.113388	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Na+HCOOH"	68.994688
"161917"	503.15644	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+2K-H"	76.91904
"600389"	716.27514	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+2K-H"	76.91904
"1085994"	290.03774	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2K-H"	76.91904
"147184"	252.081858	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"2M+2K"	77.926316
"583466"	358.641208	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"3M+2K"	77.926316
"1077825"	145.522508	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2K"	77.926316
"1101558"	292.052292	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2K+H"	78.933592
"1336847"	292.139907	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+DMSO+H"	79.021207
"1014855"	296.179076	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2ACN+H"	83.060376
"1538209"	297.172708	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+IsoProp+Na+H"	84.054008
"1000523"	148.593176	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+2ACN+2H"	84.067652
"1595026"	298.087328	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+K+HCOOH"	84.968628
"1419594"	328.118838	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+H+CF3COOH"	115.000138
"1156442"	169.106451	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+3ACN+2H"	125.094202
"1700529"	345.145385	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+NH4+CF3COOH"	132.026685
"1634475"	350.10078	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+Na+CF3COOH"	136.98208
"1579485"	366.07472	"C18752"	"Octhilinone"	"C11H19NOS"	"213.1187"	"M+K+CF3COOH"	152.95602
"809851"	278.1267	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M"	0
"985571"	259.10831	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-H2O-H"	-19.01839
"72719"	184.410524	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M-3H"	-3.021828
"507906"	277.119424	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M-3H"	-3.021828
"884614"	91.701624	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-3H"	-3.021828
"14494"	277.119424	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M-2H"	-2.014552
"455395"	416.182774	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M-2H"	-2.014552
"832434"	138.056074	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-2H"	-2.014552
"93673"	555.246124	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M-H"	-1.007276
"534221"	833.372824	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M-H"	-1.007276
"904474"	277.119424	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-H"	-1.007276
"59943"	572.272671	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M-2H+NH4"	16.019271
"502142"	850.399371	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M-2H+NH4"	16.019271
"878892"	294.145971	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-2H+NH4"	16.019271
"46185"	577.228066	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M-2H+Na"	20.974666
"483676"	855.354766	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M-2H+Na"	20.974666
"860385"	299.101366	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-2H+Na"	20.974666
"1624453"	299.101366	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Na-2H"	20.974666
"102077"	295.107763	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M-H+Cl"	33.962126
"546009"	434.171113	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M-H+Cl"	33.962126
"932237"	156.044413	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-H+Cl"	33.962126
"275899"	591.222802	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+Cl"	34.969402
"670506"	869.349502	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+Cl"	34.969402
"1286189"	313.096102	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Cl"	34.969402
"23282"	593.202006	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M-2H+K"	36.948606
"466125"	871.328706	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M-2H+K"	36.948606
"846108"	315.075306	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-2H+K"	36.948606
"1567415"	315.075306	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+K-2H"	36.948606
"953106"	323.124894	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-H+HCOOH"	44.998194
"376229"	601.251601	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+HCOOH-H"	44.998201
"358490"	615.267251	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+Hac-H"	59.013851
"1502947"	337.140551	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Hac-H"	59.013851
"973287"	345.106851	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-H+NaCOOH"	66.980151
"120488"	313.096102	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+2Cl"	69.938804
"558956"	452.159452	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+2Cl"	69.938804
"1036511"	174.032752	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2Cl"	69.938804
"1256215"	357.045585	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Br"	78.918885
"1318908"	359.101572	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Cl+HCOOH"	80.974872
"1334217"	381.083529	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Cl+NaCOOH"	102.956829
"925273"	391.112286	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M-H+CF3COOH"	112.985586
"1302709"	427.088964	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Cl+CF3COOH"	148.962264
"1378683"	243.114024	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H-2H2O"	-35.012676
"1391805"	261.124	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H-H2O"	-17.0027
"287118"	557.260676	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+H"	1.007276
"681725"	835.387376	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+H"	1.007276
"1358073"	279.133976	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H"	1.007276
"128412"	279.133976	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+2H"	2.014552
"573809"	418.197326	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+2H"	2.014552
"1040054"	140.070626	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2H"	2.014552
"213788"	186.425076	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+3H"	3.021828
"654445"	279.133976	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+3H"	3.021828
"1175492"	93.716176	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+3H"	3.021828
"438036"	574.287223	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+NH4"	18.033823
"799028"	852.413923	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+NH4"	18.033823
"1694265"	296.160523	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+NH4"	18.033823
"340359"	287.6472495	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+H+NH4"	19.041099
"732778"	426.7105995	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+H+NH4"	19.041099
"1492402"	148.5838995	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H+NH4"	19.041099
"400914"	579.242618	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+Na"	22.989218
"763002"	857.369318	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+Na"	22.989218
"1615475"	301.115918	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Na"	22.989218
"327701"	290.124947	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+H+Na"	23.996494
"721213"	429.188297	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+H+Na"	23.996494
"1475031"	151.061597	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H+Na"	23.996494
"1059528"	101.04349	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2H+Na"	25.00377
"1268862"	311.160186	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+CH3OH+H"	33.033486
"385248"	595.216558	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+K"	38.963158
"744056"	873.343258	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+K"	38.963158
"1545016"	317.089858	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+K"	38.963158
"304374"	298.111917	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+H+K"	39.970434
"695338"	437.175267	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+H+K"	39.970434
"1449887"	159.048567	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H+K"	39.970434
"239218"	598.287226	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+ACN+H"	42.033826
"1211926"	320.160526	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+ACN+H"	42.033826
"1198724"	160.583901	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+ACN+2H"	43.041102
"190135"	601.22456	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+2Na-H"	44.97116
"632617"	879.35126	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+2Na-H"	44.97116
"1140133"	323.09786	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2Na-H"	44.97116
"188299"	301.115918	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+2Na"	45.978436
"628424"	440.179268	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+2Na"	45.978436
"1130147"	162.052568	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2Na"	45.978436
"1413999"	108.370804	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H+2Na"	46.985712
"1445054"	325.139446	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H+HCOOH"	47.012746
"234383"	306.14894	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+3H2O+2H"	56.04448
"1523418"	339.19149	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+IsoProp+H"	61.06479
"422130"	309.102888	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+Na+K"	61.952376
"784222"	448.166238	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+Na+K"	61.952376
"1681190"	170.039538	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Na+K"	61.952376
"265614"	620.269168	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+ACN+Na"	64.015768
"1239785"	342.142468	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+ACN+Na"	64.015768
"1725753"	342.165993	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+NH4+HCOOH"	64.039293
"1187463"	115.698118	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+3Na"	68.967654
"1658449"	347.121388	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Na+HCOOH"	68.994688
"164216"	633.17244	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+2K-H"	76.91904
"602686"	911.29914	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+2K-H"	76.91904
"1089385"	355.04574	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2K-H"	76.91904
"150574"	317.089858	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"2M+2K"	77.926316
"585763"	456.153208	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"3M+2K"	77.926316
"1077935"	178.026508	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2K"	77.926316
"1114185"	357.060292	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2K+H"	78.933592
"1345343"	357.147907	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+DMSO+H"	79.021207
"1016060"	361.187076	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2ACN+H"	83.060376
"1536376"	362.180708	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+IsoProp+Na+H"	84.054008
"1001730"	181.097176	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+2ACN+2H"	84.067652
"1597324"	363.095328	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+K+HCOOH"	84.968628
"1422984"	393.126838	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+H+CF3COOH"	115.000138
"1156553"	201.610451	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+3ACN+2H"	125.094202
"1700639"	410.153385	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+NH4+CF3COOH"	132.026685
"1641757"	415.10878	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+Na+CF3COOH"	136.98208
"1579595"	431.08272	"C18753"	"Oxadixyl"	"C14H18N2O4"	"278.1267"	"M+K+CF3COOH"	152.95602
"801375"	346.9108	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M"	0
"983493"	327.89241	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-H2O-H"	-19.01839
"72829"	230.266590666667	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M-3H"	-3.021828
"502905"	345.903524	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M-3H"	-3.021828
"881442"	114.629657333333	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-3H"	-3.021828
"12050"	345.903524	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M-2H"	-2.014552
"454530"	519.358924	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M-2H"	-2.014552
"832778"	172.448124	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-2H"	-2.014552
"93540"	692.814324	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M-H"	-1.007276
"532859"	1039.725124	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M-H"	-1.007276
"907864"	345.903524	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-H"	-1.007276
"60053"	709.840871	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M-2H+NH4"	16.019271
"501683"	1056.751671	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M-2H+NH4"	16.019271
"879326"	362.930071	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-2H+NH4"	16.019271
"45687"	714.796266	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M-2H+Na"	20.974666
"482693"	1061.707066	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M-2H+Na"	20.974666
"857215"	367.885466	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-2H+Na"	20.974666
"1624563"	367.885466	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Na-2H"	20.974666
"100000"	363.891863	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M-H+Cl"	33.962126
"542838"	537.347263	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M-H+Cl"	33.962126
"933076"	190.436463	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-H+Cl"	33.962126
"272729"	728.791002	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+Cl"	34.969402
"667336"	1075.701802	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+Cl"	34.969402
"1286299"	381.880202	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Cl"	34.969402
"26672"	730.770206	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M-2H+K"	36.948606
"468421"	1077.681006	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M-2H+K"	36.948606
"845125"	383.859406	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-2H+K"	36.948606
"1566432"	383.859406	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+K-2H"	36.948606
"952123"	391.908994	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-H+HCOOH"	44.998194
"374354"	738.819801	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+HCOOH-H"	44.998201
"357872"	752.835451	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+Hac-H"	59.013851
"1504880"	405.924651	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Hac-H"	59.013851
"973518"	413.890951	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-H+NaCOOH"	66.980151
"120598"	381.880202	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+2Cl"	69.938804
"559066"	555.335602	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+2Cl"	69.938804
"1036621"	208.424802	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2Cl"	69.938804
"1256198"	425.829685	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Br"	78.918885
"1318653"	427.885672	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Cl+HCOOH"	80.974872
"1331045"	449.867629	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Cl+NaCOOH"	102.956829
"924653"	459.896386	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M-H+CF3COOH"	112.985586
"1302455"	495.873064	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Cl+CF3COOH"	148.962264
"1378793"	311.898124	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H-2H2O"	-35.012676
"1393009"	329.9081	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H-H2O"	-17.0027
"288321"	694.828876	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+H"	1.007276
"678919"	1041.739676	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+H"	1.007276
"1357089"	347.918076	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H"	1.007276
"127426"	347.918076	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+2H"	2.014552
"573919"	521.373476	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+2H"	2.014552
"1039557"	174.462676	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2H"	2.014552
"213898"	232.281142666667	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+3H"	3.021828
"655648"	347.918076	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+3H"	3.021828
"1174874"	116.644209333333	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+3H"	3.021828
"437053"	711.855423	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+NH4"	18.033823
"798045"	1058.766223	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+NH4"	18.033823
"1694011"	364.944623	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+NH4"	18.033823
"342292"	356.4313495	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+H+NH4"	19.041099
"732524"	529.8867495	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+H+NH4"	19.041099
"1491457"	182.9759495	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H+NH4"	19.041099
"402118"	716.810818	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+Na"	22.989218
"766392"	1063.721618	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+Na"	22.989218
"1612305"	369.900018	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Na"	22.989218
"325624"	358.909047	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+H+Na"	23.996494
"721323"	532.364447	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+H+Na"	23.996494
"1475141"	185.453647	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H+Na"	23.996494
"1060731"	123.971523333333	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2H+Na"	25.00377
"1268972"	379.944286	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+CH3OH+H"	33.033486
"384264"	732.784758	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+K"	38.963158
"743072"	1079.695558	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+K"	38.963158
"1546219"	385.873958	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+K"	38.963158
"304484"	366.896017	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+H+K"	39.970434
"694355"	540.351417	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+H+K"	39.970434
"1450726"	193.440617	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H+K"	39.970434
"238234"	735.855426	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+ACN+H"	42.033826
"1211672"	388.944626	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+ACN+H"	42.033826
"1197741"	194.975951	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+ACN+2H"	43.041102
"188705"	738.79276	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+2Na-H"	44.97116
"632727"	1085.70356	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+2Na-H"	44.97116
"1138421"	391.88196	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2Na-H"	44.97116
"186088"	369.900018	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+2Na"	45.978436
"626385"	543.355418	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+2Na"	45.978436
"1130620"	196.444618	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2Na"	45.978436
"1411954"	131.298837333333	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H+2Na"	46.985712
"1440422"	393.923546	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H+HCOOH"	47.012746
"235536"	374.93304	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+3H2O+2H"	56.04448
"1519273"	407.97559	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+IsoProp+H"	61.06479
"413855"	377.886988	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+Na+K"	61.952376
"785650"	551.342388	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+Na+K"	61.952376
"1679933"	204.431588	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Na+K"	61.952376
"264266"	757.837368	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+ACN+Na"	64.015768
"1239165"	410.926568	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+ACN+Na"	64.015768
"1725135"	410.950093	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+NH4+HCOOH"	64.039293
"1187572"	138.626151333333	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+3Na"	68.967654
"1659652"	415.905488	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Na+HCOOH"	68.994688
"163232"	770.74064	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+2K-H"	76.91904
"599516"	1117.65144	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+2K-H"	76.91904
"1086214"	423.82984	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2K-H"	76.91904
"147404"	385.873958	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"2M+2K"	77.926316
"585873"	559.329358	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"3M+2K"	77.926316
"1073671"	212.418558	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2K"	77.926316
"1115025"	425.844392	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2K+H"	78.933592
"1345453"	425.932007	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+DMSO+H"	79.021207
"1012890"	429.971176	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2ACN+H"	83.060376
"1539161"	430.964808	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+IsoProp+Na+H"	84.054008
"1003905"	215.489226	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+2ACN+2H"	84.067652
"1596341"	431.879428	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+K+HCOOH"	84.968628
"1422001"	461.910938	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+H+CF3COOH"	115.000138
"1155570"	236.002501	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+3ACN+2H"	125.094202
"1700749"	478.937485	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+NH4+CF3COOH"	132.026685
"1641867"	483.89288	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+Na+CF3COOH"	136.98208
"1579705"	499.86682	"C18754"	"Captafol"	"C10H9Cl4NO2S"	"346.9108"	"M+K+CF3COOH"	152.95602
"801549"	203.1344	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M"	0
"980323"	184.11601	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-H2O-H"	-19.01839
"72939"	134.415657333333	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M-3H"	-3.021828
"507030"	202.127124	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M-3H"	-3.021828
"881916"	66.7041906666667	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-3H"	-3.021828
"12160"	202.127124	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M-2H"	-2.014552
"453913"	303.694324	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M-2H"	-2.014552
"832088"	100.559924	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-2H"	-2.014552
"93529"	405.261524	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M-H"	-1.007276
"533091"	608.395924	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M-H"	-1.007276
"909312"	202.127124	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-H"	-1.007276
"59921"	422.288071	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M-2H+NH4"	16.019271
"501549"	625.422471	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M-2H+NH4"	16.019271
"878136"	219.153671	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-2H+NH4"	16.019271
"45431"	427.243466	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M-2H+Na"	20.974666
"484626"	630.377866	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M-2H+Na"	20.974666
"856232"	224.109066	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-2H+Na"	20.974666
"1623580"	224.109066	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Na-2H"	20.974666
"99016"	220.115463	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M-H+Cl"	33.962126
"539668"	321.682663	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M-H+Cl"	33.962126
"931000"	118.548263	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-H+Cl"	33.962126
"272839"	441.238202	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+Cl"	34.969402
"667446"	644.372602	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+Cl"	34.969402
"1280942"	238.103802	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Cl"	34.969402
"25688"	443.217406	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M-2H+K"	36.948606
"465247"	646.351806	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M-2H+K"	36.948606
"845235"	240.083006	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-2H+K"	36.948606
"1569091"	240.083006	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+K-2H"	36.948606
"952233"	248.132594	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-H+HCOOH"	44.998194
"373735"	451.267001	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+HCOOH-H"	44.998201
"359807"	465.282651	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+Hac-H"	59.013851
"1504261"	262.148251	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Hac-H"	59.013851
"970710"	270.114551	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-H+NaCOOH"	66.980151
"118521"	238.103802	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+2Cl"	69.938804
"552616"	339.671002	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+2Cl"	69.938804
"1036245"	136.536602	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2Cl"	69.938804
"1256308"	282.053285	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Br"	78.918885
"1317306"	284.109272	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Cl+HCOOH"	80.974872
"1332248"	306.091229	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Cl+NaCOOH"	102.956829
"925127"	316.119986	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M-H+CF3COOH"	112.985586
"1302201"	352.096664	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Cl+CF3COOH"	148.962264
"1376716"	168.121724	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H-2H2O"	-35.012676
"1393119"	186.1317	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H-H2O"	-17.0027
"288431"	407.276076	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+H"	1.007276
"679393"	610.410476	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+H"	1.007276
"1357199"	204.141676	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H"	1.007276
"128629"	204.141676	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+2H"	2.014552
"570746"	305.708876	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+2H"	2.014552
"1038812"	102.574476	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2H"	2.014552
"207447"	136.430209333333	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+3H"	3.021828
"656849"	204.141676	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+3H"	3.021828
"1174984"	68.7187426666667	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+3H"	3.021828
"437527"	424.302623	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+NH4"	18.033823
"796699"	627.437023	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+NH4"	18.033823
"1692664"	221.168223	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+NH4"	18.033823
"341309"	212.6549495	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+H+NH4"	19.041099
"732998"	314.2221495	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+H+NH4"	19.041099
"1491932"	111.0877495	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H+NH4"	19.041099
"402228"	429.258018	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+Na"	22.989218
"763223"	632.392418	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+Na"	22.989218
"1610229"	226.123618	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Na"	22.989218
"323547"	215.132647	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+H+Na"	23.996494
"718154"	316.699847	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+H+Na"	23.996494
"1474888"	113.565447	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H+Na"	23.996494
"1061935"	76.0460566666667	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2H+Na"	25.00377
"1269082"	236.167886	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+CH3OH+H"	33.033486
"384374"	445.231958	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+K"	38.963158
"744275"	648.366358	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+K"	38.963158
"1545236"	242.097558	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+K"	38.963158
"305688"	223.119617	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+H+K"	39.970434
"697380"	324.686817	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+H+K"	39.970434
"1455209"	121.552417	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H+K"	39.970434
"239437"	448.302626	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+ACN+H"	42.033826
"1213604"	245.168226	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+ACN+H"	42.033826
"1196758"	123.087751	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+ACN+2H"	43.041102
"190721"	451.23996	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+2Na-H"	44.97116
"630651"	654.37436	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+2Na-H"	44.97116
"1136345"	248.10556	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2Na-H"	44.97116
"185470"	226.123618	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+2Na"	45.978436
"626496"	327.690818	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+2Na"	45.978436
"1130246"	124.556418	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2Na"	45.978436
"1410608"	83.3733706666667	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H+2Na"	46.985712
"1440533"	250.147146	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H+HCOOH"	47.012746
"233147"	231.15664	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+3H2O+2H"	56.04448
"1519019"	264.19919	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+IsoProp+H"	61.06479
"414695"	234.110588	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+Na+K"	61.952376
"782986"	335.677788	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+Na+K"	61.952376
"1680411"	132.543388	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Na+K"	61.952376
"265106"	470.284568	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+ACN+Na"	64.015768
"1240980"	267.150168	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+ACN+Na"	64.015768
"1726705"	267.173693	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+NH4+HCOOH"	64.039293
"1188047"	90.7006846666667	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+3Na"	68.967654
"1663410"	272.129088	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Na+HCOOH"	68.994688
"166989"	483.18784	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+2K-H"	76.91904
"601812"	686.32224	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+2K-H"	76.91904
"1091426"	280.05344	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2K-H"	76.91904
"148971"	242.097558	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"2M+2K"	77.926316
"583795"	343.664758	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"3M+2K"	77.926316
"1074875"	140.530358	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2K"	77.926316
"1110272"	282.067992	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2K+H"	78.933592
"1344469"	282.155607	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+DMSO+H"	79.021207
"1009719"	286.194776	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2ACN+H"	83.060376
"1536596"	287.188408	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+IsoProp+Na+H"	84.054008
"1003043"	143.601026	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+2ACN+2H"	84.067652
"1592078"	288.103028	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+K+HCOOH"	84.968628
"1417738"	318.134538	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+H+CF3COOH"	115.000138
"1153493"	164.114301	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+3ACN+2H"	125.094202
"1700859"	335.161085	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+NH4+CF3COOH"	132.026685
"1638697"	340.11648	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+Na+CF3COOH"	136.98208
"1579815"	356.09042	"C18755"	"Pebulate"	"C10H21NOS"	"203.1344"	"M+K+CF3COOH"	152.95602
"804713"	316.9945	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M"	0
"980433"	297.97611	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-H2O-H"	-19.01839
"73049"	210.322390666667	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M-3H"	-3.021828
"506047"	315.987224	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M-3H"	-3.021828
"882755"	104.657557333333	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-3H"	-3.021828
"12270"	315.987224	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M-2H"	-2.014552
"454144"	474.484474	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M-2H"	-2.014552
"831956"	157.489974	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-2H"	-2.014552
"92912"	632.981724	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M-H"	-1.007276
"532352"	949.976224	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M-H"	-1.007276
"908693"	315.987224	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-H"	-1.007276
"59788"	650.008271	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M-2H+NH4"	16.019271
"502149"	967.002771	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M-2H+NH4"	16.019271
"879927"	333.013771	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-2H+NH4"	16.019271
"42261"	654.963666	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M-2H+Na"	20.974666
"483643"	971.958166	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M-2H+Na"	20.974666
"855248"	337.969166	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-2H+Na"	20.974666
"1622597"	337.969166	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Na-2H"	20.974666
"98031"	333.975563	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M-H+Cl"	33.962126
"538685"	492.472813	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M-H+Cl"	33.962126
"933295"	175.478313	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-H+Cl"	33.962126
"274042"	668.958402	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+Cl"	34.969402
"667556"	985.952902	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+Cl"	34.969402
"1284332"	351.963902	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Cl"	34.969402
"24703"	670.937606	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M-2H+K"	36.948606
"467544"	987.932106	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M-2H+K"	36.948606
"845345"	353.943106	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-2H+K"	36.948606
"1568837"	353.943106	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+K-2H"	36.948606
"951250"	361.992694	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-H+HCOOH"	44.998194
"374573"	678.987201	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+HCOOH-H"	44.998201
"360281"	693.002851	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+Hac-H"	59.013851
"1504370"	376.008351	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Hac-H"	59.013851
"972279"	383.974651	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-H+NaCOOH"	66.980151
"118632"	351.963902	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+2Cl"	69.938804
"556006"	510.461152	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+2Cl"	69.938804
"1034654"	193.466652	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2Cl"	69.938804
"1253866"	395.913385	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Br"	78.918885
"1316317"	397.969372	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Cl+HCOOH"	80.974872
"1332720"	419.951329	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Cl+NaCOOH"	102.956829
"918671"	429.980086	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M-H+CF3COOH"	112.985586
"1294286"	465.956764	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Cl+CF3COOH"	148.962264
"1369167"	281.981824	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H-2H2O"	-35.012676
"1396874"	299.9918	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H-H2O"	-17.0027
"288540"	634.996276	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+H"	1.007276
"679138"	951.990776	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+H"	1.007276
"1356215"	318.001776	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H"	1.007276
"127647"	318.001776	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+2H"	2.014552
"567577"	476.499026	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+2H"	2.014552
"1042937"	159.504526	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2H"	2.014552
"205734"	212.336942666667	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+3H"	3.021828
"656595"	318.001776	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+3H"	3.021828
"1176552"	106.672109333333	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+3H"	3.021828
"438731"	652.022823	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+NH4"	18.033823
"798632"	969.017323	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+NH4"	18.033823
"1693867"	335.028323	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+NH4"	18.033823
"343971"	326.5150495	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+H+NH4"	19.041099
"734201"	485.0122995	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+H+NH4"	19.041099
"1491435"	168.0177995	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H+NH4"	19.041099
"400151"	656.978218	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+Na"	22.989218
"765522"	973.972718	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+Na"	22.989218
"1612526"	339.983718	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Na"	22.989218
"323657"	328.992747	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+H+Na"	23.996494
"719359"	487.489997	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+H+Na"	23.996494
"1474636"	170.495497	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H+Na"	23.996494
"1067028"	113.999423333333	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2H+Na"	25.00377
"1269192"	350.027986	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+CH3OH+H"	33.033486
"386673"	672.952158	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+K"	38.963158
"748761"	989.946658	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+K"	38.963158
"1550814"	355.957658	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+K"	38.963158
"305801"	336.979717	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+H+K"	39.970434
"696762"	495.476967	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+H+K"	39.970434
"1452040"	178.482467	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H+K"	39.970434
"238454"	676.022826	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+ACN+H"	42.033826
"1216632"	359.028326	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+ACN+H"	42.033826
"1197597"	180.017801	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+ACN+2H"	43.041102
"191924"	678.96016	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+2Na-H"	44.97116
"631854"	995.95466	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+2Na-H"	44.97116
"1136455"	361.96566	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2Na-H"	44.97116
"185945"	339.983718	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+2Na"	45.978436
"627459"	498.480968	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+2Na"	45.978436
"1129386"	181.486468	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2Na"	45.978436
"1411811"	121.326737333333	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H+2Na"	46.985712
"1440643"	364.007246	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H+HCOOH"	47.012746
"233621"	345.01674	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+3H2O+2H"	56.04448
"1518765"	378.05929	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+IsoProp+H"	61.06479
"415898"	347.970688	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+Na+K"	61.952376
"783096"	506.467938	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+Na+K"	61.952376
"1680157"	189.473438	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Na+K"	61.952376
"264124"	698.004768	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+ACN+Na"	64.015768
"1240484"	381.010268	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+ACN+Na"	64.015768
"1727424"	381.033793	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+NH4+HCOOH"	64.039293
"1189616"	128.654051333333	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+3Na"	68.967654
"1659143"	385.989188	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Na+HCOOH"	68.994688
"161265"	710.90804	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+2K-H"	76.91904
"604837"	1027.90254	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+2K-H"	76.91904
"1091536"	393.91354	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2K-H"	76.91904
"147622"	355.957658	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"2M+2K"	77.926316
"583906"	514.454908	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"3M+2K"	77.926316
"1076079"	197.460408	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2K"	77.926316
"1109289"	395.928092	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2K+H"	78.933592
"1346766"	396.015707	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+DMSO+H"	79.021207
"1015298"	400.054876	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2ACN+H"	83.060376
"1536705"	401.048508	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+IsoProp+Na+H"	84.054008
"1004735"	200.531076	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+2ACN+2H"	84.067652
"1594374"	401.963128	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+K+HCOOH"	84.968628
"1418941"	431.994638	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+H+CF3COOH"	115.000138
"1154696"	221.044351	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+3ACN+2H"	125.094202
"1700969"	449.021185	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+NH4+CF3COOH"	132.026685
"1638807"	453.97658	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+Na+CF3COOH"	136.98208
"1579925"	469.95052	"C18756"	"Phosmet"	"C11H12NO4PS2"	"316.9945"	"M+K+CF3COOH"	152.95602
"810291"	298.0541	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M"	0
"980543"	279.03571	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-H2O-H"	-19.01839
"75346"	197.695457333333	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M-3H"	-3.021828
"506157"	297.046824	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M-3H"	-3.021828
"886146"	98.3440906666667	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-3H"	-3.021828
"10193"	297.046824	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M-2H"	-2.014552
"453036"	446.073874	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M-2H"	-2.014552
"832070"	148.019774	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-2H"	-2.014552
"93644"	595.100924	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M-H"	-1.007276
"534079"	893.155024	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M-H"	-1.007276
"910753"	297.046824	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-H"	-1.007276
"61614"	612.127471	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M-2H+NH4"	16.019271
"501537"	910.181571	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M-2H+NH4"	16.019271
"879333"	314.073371	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-2H+NH4"	16.019271
"46140"	617.082866	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M-2H+Na"	20.974666
"485578"	915.136966	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M-2H+Na"	20.974666
"857547"	319.028766	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-2H+Na"	20.974666
"1624895"	319.028766	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Na-2H"	20.974666
"101423"	315.035163	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M-H+Cl"	33.962126
"539889"	464.062213	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M-H+Cl"	33.962126
"932312"	166.008113	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-H+Cl"	33.962126
"274152"	631.077602	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+Cl"	34.969402
"670946"	929.131702	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+Cl"	34.969402
"1284442"	333.023502	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Cl"	34.969402
"30404"	633.056806	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M-2H+K"	36.948606
"469843"	931.110906	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M-2H+K"	36.948606
"845456"	335.002706	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-2H+K"	36.948606
"1570530"	335.002706	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+K-2H"	36.948606
"953182"	343.052294	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-H+HCOOH"	44.998194
"374684"	641.106401	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+HCOOH-H"	44.998201
"360390"	655.122051	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+Hac-H"	59.013851
"1507397"	357.067951	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Hac-H"	59.013851
"973124"	365.034251	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-H+NaCOOH"	66.980151
"124212"	333.023502	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+2Cl"	69.938804
"553929"	482.050552	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+2Cl"	69.938804
"1028200"	183.996452	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2Cl"	69.938804
"1248873"	376.972985	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Br"	78.918885
"1316792"	379.028972	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Cl+HCOOH"	80.974872
"1331374"	401.010929	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Cl+NaCOOH"	102.956829
"923160"	411.039686	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M-H+CF3COOH"	112.985586
"1299140"	447.016364	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Cl+CF3COOH"	148.962264
"1382240"	263.041424	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H-2H2O"	-35.012676
"1396983"	281.0514	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H-H2O"	-17.0027
"293026"	597.115476	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+H"	1.007276
"682165"	895.169576	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+H"	1.007276
"1358512"	299.061376	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H"	1.007276
"132495"	299.061376	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+2H"	2.014552
"570966"	448.088426	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+2H"	2.014552
"1049242"	150.034326	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2H"	2.014552
"214228"	199.710009333333	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+3H"	3.021828
"656705"	299.061376	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+3H"	3.021828
"1176661"	100.358642666667	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+3H"	3.021828
"438112"	614.142023	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+NH4"	18.033823
"799834"	912.196123	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+NH4"	18.033823
"1693609"	316.087923	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+NH4"	18.033823
"342986"	307.5746495	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+H+NH4"	19.041099
"736495"	456.6016995	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+H+NH4"	19.041099
"1491789"	158.5475995	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H+NH4"	19.041099
"400261"	619.097418	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+Na"	22.989218
"764537"	917.151518	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+Na"	22.989218
"1612635"	321.043318	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Na"	22.989218
"323763"	310.052347	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+H+Na"	23.996494
"719466"	459.079397	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+H+Na"	23.996494
"1472193"	161.025297	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H+Na"	23.996494
"1065435"	107.685956666667	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2H+Na"	25.00377
"1268209"	331.087586	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+CH3OH+H"	33.033486
"383503"	635.071358	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+K"	38.963158
"745591"	933.125458	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+K"	38.963158
"1547643"	337.017258	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+K"	38.963158
"305911"	318.039317	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+H+K"	39.970434
"698330"	467.066367	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+H+K"	39.970434
"1448867"	169.012267	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H+K"	39.970434
"238561"	638.142026	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+ACN+H"	42.033826
"1213824"	340.087926	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+ACN+H"	42.033826
"1195759"	170.547601	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+ACN+2H"	43.041102
"190694"	641.07936	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+2Na-H"	44.97116
"631598"	939.13346	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+2Na-H"	44.97116
"1138751"	343.02526	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2Na-H"	44.97116
"187391"	321.043318	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+2Na"	45.978436
"627448"	470.070368	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+2Na"	45.978436
"1129497"	172.016268	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2Na"	45.978436
"1412288"	115.013270666667	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H+2Na"	46.985712
"1440756"	345.066846	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H+HCOOH"	47.012746
"231179"	326.07634	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+3H2O+2H"	56.04448
"1519239"	359.11889	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+IsoProp+H"	61.06479
"416008"	329.030288	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+Na+K"	61.952376
"785116"	478.057338	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+Na+K"	61.952376
"1680840"	180.003238	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Na+K"	61.952376
"264964"	660.123968	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+ACN+Na"	64.015768
"1240108"	362.069868	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+ACN+Na"	64.015768
"1727660"	362.093393	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+NH4+HCOOH"	64.039293
"1193008"	122.340584666667	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+3Na"	68.967654
"1663266"	367.048788	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Na+HCOOH"	68.994688
"169034"	673.02724	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+2K-H"	76.91904
"608594"	971.08134	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+2K-H"	76.91904
"1094200"	374.97314	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2K-H"	76.91904
"152836"	337.017258	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"2M+2K"	77.926316
"588390"	486.044308	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"3M+2K"	77.926316
"1083123"	187.990208	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2K"	77.926316
"1115406"	376.987692	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2K+H"	78.933592
"1345785"	377.075307	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+DMSO+H"	79.021207
"1019907"	381.114476	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2ACN+H"	83.060376
"1535721"	382.108108	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+IsoProp+Na+H"	84.054008
"1005333"	191.060876	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+2ACN+2H"	84.067652
"1595579"	383.022728	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+K+HCOOH"	84.968628
"1422332"	413.054238	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+H+CF3COOH"	115.000138
"1153714"	211.574151	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+3ACN+2H"	125.094202
"1707640"	430.080785	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+NH4+CF3COOH"	132.026685
"1648758"	435.03618	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+Na+CF3COOH"	136.98208
"1580035"	451.01012	"C18757"	"Phoxim"	"C12H15N2O3PS"	"298.0541"	"M+K+CF3COOH"	152.95602
"801384"	353.1248	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M"	0
"980652"	334.10641	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-H2O-H"	-19.01839
"69988"	234.409257333333	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M-3H"	-3.021828
"504081"	352.117524	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M-3H"	-3.021828
"885163"	116.700990666667	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-3H"	-3.021828
"2647"	352.117524	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M-2H"	-2.014552
"443302"	528.679924	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M-2H"	-2.014552
"832684"	175.555124	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-2H"	-2.014552
"93127"	705.242324	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M-H"	-1.007276
"530500"	1058.367124	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M-H"	-1.007276
"911225"	352.117524	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-H"	-1.007276
"62656"	722.268871	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M-2H+NH4"	16.019271
"501517"	1075.393671	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M-2H+NH4"	16.019271
"878956"	369.144071	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-2H+NH4"	16.019271
"46492"	727.224266	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M-2H+Na"	20.974666
"485321"	1080.349066	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M-2H+Na"	20.974666
"862757"	374.099466	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-2H+Na"	20.974666
"1622817"	374.099466	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Na-2H"	20.974666
"101533"	370.105863	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M-H+Cl"	33.962126
"539999"	546.668263	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M-H+Cl"	33.962126
"934607"	193.543463	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-H+Cl"	33.962126
"277539"	741.219002	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+Cl"	34.969402
"671056"	1094.343802	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+Cl"	34.969402
"1284552"	388.094202	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Cl"	34.969402
"29296"	743.198206	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M-2H+K"	36.948606
"471045"	1096.323006	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M-2H+K"	36.948606
"845566"	390.073406	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-2H+K"	36.948606
"1571261"	390.073406	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+K-2H"	36.948606
"952563"	398.122994	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-H+HCOOH"	44.998194
"376251"	751.247801	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+HCOOH-H"	44.998201
"360134"	765.263451	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+Hac-H"	59.013851
"1507873"	412.138651	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Hac-H"	59.013851
"973597"	420.104951	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-H+NaCOOH"	66.980151
"122134"	388.094202	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+2Cl"	69.938804
"552946"	564.656602	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+2Cl"	69.938804
"1028310"	211.531802	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2Cl"	69.938804
"1252263"	432.043685	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Br"	78.918885
"1316174"	434.099672	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Cl+HCOOH"	80.974872
"1330027"	456.081629	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Cl+NaCOOH"	102.956829
"923271"	466.110386	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M-H+CF3COOH"	112.985586
"1301072"	502.087064	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Cl+CF3COOH"	148.962264
"1381054"	318.112124	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H-2H2O"	-35.012676
"1396730"	336.1221	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H-H2O"	-17.0027
"292042"	707.256876	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+H"	1.007276
"685555"	1060.381676	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+H"	1.007276
"1357528"	354.132076	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H"	1.007276
"131512"	354.132076	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+2H"	2.014552
"572169"	530.694476	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+2H"	2.014552
"1046436"	177.569676	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2H"	2.014552
"209964"	236.423809333333	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+3H"	3.021828
"657544"	354.132076	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+3H"	3.021828
"1175313"	118.715542666667	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+3H"	3.021828
"435671"	724.283423	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+NH4"	18.033823
"798487"	1077.408223	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+NH4"	18.033823
"1694812"	371.158623	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+NH4"	18.033823
"343096"	362.6453495	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+H+NH4"	19.041099
"734419"	539.2077495	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+H+NH4"	19.041099
"1491895"	186.0829495	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H+NH4"	19.041099
"402560"	729.238818	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+Na"	22.989218
"763554"	1082.363618	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+Na"	22.989218
"1609466"	376.114018	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Na"	22.989218
"322780"	365.123047	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+H+Na"	23.996494
"718483"	541.685447	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+H+Na"	23.996494
"1472303"	188.560647	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H+Na"	23.996494
"1064452"	126.042856666667	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2H+Na"	25.00377
"1262852"	386.158286	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+CH3OH+H"	33.033486
"385799"	745.212758	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+K"	38.963158
"744606"	1098.337558	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+K"	38.963158
"1549939"	392.087958	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+K"	38.963158
"306021"	373.110017	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+H+K"	39.970434
"697346"	549.672417	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+H+K"	39.970434
"1448977"	196.547617	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H+K"	39.970434
"238671"	748.283426	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+ACN+H"	42.033826
"1211748"	395.158626	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+ACN+H"	42.033826
"1195993"	198.082951	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+ACN+2H"	43.041102
"191413"	751.22076	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+2Na-H"	44.97116
"631344"	1104.34556	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+2Na-H"	44.97116
"1138861"	398.09596	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2Na-H"	44.97116
"186163"	376.114018	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+2Na"	45.978436
"626826"	552.676418	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+2Na"	45.978436
"1130820"	199.551618	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2Na"	45.978436
"1411300"	133.370170666667	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H+2Na"	46.985712
"1438674"	400.137546	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H+HCOOH"	47.012746
"232017"	381.14704	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+3H2O+2H"	56.04448
"1517524"	414.18959	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+IsoProp+H"	61.06479
"416115"	384.100988	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+Na+K"	61.952376
"784051"	560.663388	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+Na+K"	61.952376
"1680012"	207.538588	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Na+K"	61.952376
"265436"	770.265368	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+ACN+Na"	64.015768
"1239247"	417.140568	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+ACN+Na"	64.015768
"1725948"	417.164093	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+NH4+HCOOH"	64.039293
"1193120"	140.697484666667	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+3Na"	68.967654
"1665200"	422.119488	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Na+HCOOH"	68.994688
"163673"	783.16864	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+2K-H"	76.91904
"606515"	1136.29344	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+2K-H"	76.91904
"1096130"	430.04384	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2K-H"	76.91904
"142617"	392.087958	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"2M+2K"	77.926316
"588500"	568.650358	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"3M+2K"	77.926316
"1083922"	215.525558	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2K"	77.926316
"1115568"	432.058392	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2K+H"	78.933592
"1344802"	432.146007	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+DMSO+H"	79.021207
"1020625"	436.185176	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2ACN+H"	83.060376
"1535831"	437.178808	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+IsoProp+Na+H"	84.054008
"998998"	218.596226	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+2ACN+2H"	84.067652
"1595689"	438.093428	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+K+HCOOH"	84.968628
"1422442"	468.124938	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+H+CF3COOH"	115.000138
"1152730"	239.109501	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+3ACN+2H"	125.094202
"1707750"	485.151485	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+NH4+CF3COOH"	132.026685
"1648868"	490.10688	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+Na+CF3COOH"	136.98208
"1580145"	506.08082	"C18758"	"Piperophos"	"C14H28NO3PS2"	"353.1248"	"M+K+CF3COOH"	152.95602
"802127"	211.0764	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M"	0
"980762"	192.05801	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-H2O-H"	-19.01839
"70098"	139.710324	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M-3H"	-3.021828
"504191"	210.069124	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M-3H"	-3.021828
"885273"	69.351524	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-3H"	-3.021828
"2756"	210.069124	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M-2H"	-2.014552
"446692"	315.607324	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M-2H"	-2.014552
"831549"	104.530924	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-2H"	-2.014552
"93116"	421.145524	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M-H"	-1.007276
"531703"	632.221924	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M-H"	-1.007276
"910009"	210.069124	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-H"	-1.007276
"62793"	438.172071	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M-2H+NH4"	16.019271
"500896"	649.248471	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M-2H+NH4"	16.019271
"878213"	227.095671	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-2H+NH4"	16.019271
"44778"	443.127466	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M-2H+Na"	20.974666
"483244"	654.203866	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M-2H+Na"	20.974666
"861045"	232.051066	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-2H+Na"	20.974666
"1624021"	232.051066	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Na-2H"	20.974666
"102735"	228.057463	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M-H+Cl"	33.962126
"545577"	333.595663	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M-H+Cl"	33.962126
"934717"	122.519263	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-H+Cl"	33.962126
"275461"	457.122202	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+Cl"	34.969402
"674446"	668.198602	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+Cl"	34.969402
"1284662"	246.045802	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Cl"	34.969402
"30135"	459.101406	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M-2H+K"	36.948606
"470792"	670.177806	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M-2H+K"	36.948606
"845676"	248.025006	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-2H+K"	36.948606
"1570990"	248.025006	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+K-2H"	36.948606
"953766"	256.074594	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-H+HCOOH"	44.998194
"376686"	467.151001	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+HCOOH-H"	44.998201
"359150"	481.166651	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+Hac-H"	59.013851
"1507617"	270.090251	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Hac-H"	59.013851
"973828"	278.056551	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-H+NaCOOH"	66.980151
"118964"	246.045802	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+2Cl"	69.938804
"556337"	351.584002	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+2Cl"	69.938804
"1028420"	140.507602	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2Cl"	69.938804
"1253466"	289.995285	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Br"	78.918885
"1310445"	292.051272	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Cl+HCOOH"	80.974872
"1331961"	314.033229	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Cl+NaCOOH"	102.956829
"924840"	324.061986	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M-H+CF3COOH"	112.985586
"1302640"	360.038664	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Cl+CF3COOH"	148.962264
"1381529"	176.063724	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H-2H2O"	-35.012676
"1397568"	194.0737	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H-H2O"	-17.0027
"293975"	423.160076	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+H"	1.007276
"685665"	634.236476	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+H"	1.007276
"1357638"	212.083676	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H"	1.007276
"131622"	212.083676	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+2H"	2.014552
"572276"	317.621876	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+2H"	2.014552
"1041075"	106.545476	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2H"	2.014552
"207883"	141.724876	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+3H"	3.021828
"654738"	212.083676	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+3H"	3.021828
"1172136"	71.366076	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+3H"	3.021828
"436502"	440.186623	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+NH4"	18.033823
"798592"	651.263023	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+NH4"	18.033823
"1694922"	229.110223	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+NH4"	18.033823
"343206"	220.5969495	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+H+NH4"	19.041099
"731249"	326.1351495	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+H+NH4"	19.041099
"1492007"	115.0587495	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H+NH4"	19.041099
"401577"	445.142018	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+Na"	22.989218
"765851"	656.218418	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+Na"	22.989218
"1610669"	234.065618	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Na"	22.989218
"322890"	223.074647	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+H+Na"	23.996494
"717501"	328.612847	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+H+Na"	23.996494
"1474964"	117.536447	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H+Na"	23.996494
"1065656"	78.69339	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2H+Na"	25.00377
"1264055"	244.109886	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+CH3OH+H"	33.033486
"385910"	461.115958	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+K"	38.963158
"746905"	672.192358	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+K"	38.963158
"1552965"	250.039558	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+K"	38.963158
"309412"	231.061617	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+H+K"	39.970434
"698550"	336.599817	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+H+K"	39.970434
"1450181"	125.523417	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H+K"	39.970434
"237081"	464.186626	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+ACN+H"	42.033826
"1212587"	253.110226	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+ACN+H"	42.033826
"1195740"	127.058751	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+ACN+2H"	43.041102
"191887"	467.12396	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+2Na-H"	44.97116
"631090"	678.20036	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+2Na-H"	44.97116
"1138971"	256.04756	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2Na-H"	44.97116
"181169"	234.065618	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+2Na"	45.978436
"625843"	339.603818	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+2Na"	45.978436
"1127890"	128.527418	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2Na"	45.978436
"1409952"	86.020704	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H+2Na"	46.985712
"1437692"	258.089146	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H+HCOOH"	47.012746
"232492"	239.09864	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+3H2O+2H"	56.04448
"1516541"	272.14119	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+IsoProp+H"	61.06479
"415133"	242.052588	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+Na+K"	61.952376
"783065"	347.590788	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+Na+K"	61.952376
"1678302"	136.514388	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Na+K"	61.952376
"264818"	486.168568	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+ACN+Na"	64.015768
"1238990"	275.092168	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+ACN+Na"	64.015768
"1727151"	275.115693	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+NH4+HCOOH"	64.039293
"1192866"	93.348018	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+3Na"	68.967654
"1665190"	280.071088	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Na+HCOOH"	68.994688
"164877"	499.07184	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+2K-H"	76.91904
"608812"	710.14824	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+2K-H"	76.91904
"1096240"	287.99544	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2K-H"	76.91904
"145765"	250.039558	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"2M+2K"	77.926316
"588610"	355.577758	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"3M+2K"	77.926316
"1083788"	144.501358	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2K"	77.926316
"1115616"	290.009992	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2K+H"	78.933592
"1350866"	290.097607	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+DMSO+H"	79.021207
"1020816"	294.136776	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2ACN+H"	83.060376
"1537034"	295.130408	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+IsoProp+Na+H"	84.054008
"1000201"	147.572026	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+2ACN+2H"	84.067652
"1595799"	296.045028	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+K+HCOOH"	84.968628
"1421459"	326.076538	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+H+CF3COOH"	115.000138
"1150652"	168.085301	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+3ACN+2H"	125.094202
"1707860"	343.103085	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+NH4+CF3COOH"	132.026685
"1648978"	348.05848	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+Na+CF3COOH"	136.98208
"1580255"	364.03242	"C18759"	"Propachlor"	"C11H14ClNO"	"211.0764"	"M+K+CF3COOH"	152.95602
"810621"	251.1344	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M"	0
"984153"	232.11601	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-H2O-H"	-19.01839
"70208"	166.415657333333	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M-3H"	-3.021828
"507581"	250.127124	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M-3H"	-3.021828
"885383"	82.7041906666667	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-3H"	-3.021828
"5054"	250.127124	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M-2H"	-2.014552
"446802"	375.694324	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M-2H"	-2.014552
"831779"	124.559924	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-2H"	-2.014552
"93558"	501.261524	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M-H"	-1.007276
"533032"	752.395924	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M-H"	-1.007276
"909994"	250.127124	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-H"	-1.007276
"62298"	518.288071	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M-2H+NH4"	16.019271
"501614"	769.422471	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M-2H+NH4"	16.019271
"877594"	267.153671	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-2H+NH4"	16.019271
"43794"	523.243466	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M-2H+Na"	20.974666
"482990"	774.377866	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M-2H+Na"	20.974666
"858968"	272.109066	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-2H+Na"	20.974666
"1624132"	272.109066	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Na-2H"	20.974666
"99565"	268.115463	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M-H+Cl"	33.962126
"539123"	393.682663	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M-H+Cl"	33.962126
"931547"	142.548263	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-H+Cl"	33.962126
"274478"	537.238202	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+Cl"	34.969402
"667995"	788.372602	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+Cl"	34.969402
"1278210"	286.103802	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Cl"	34.969402
"21860"	539.217406	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M-2H+K"	36.948606
"466889"	790.351806	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M-2H+K"	36.948606
"848017"	288.083006	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-2H+K"	36.948606
"1570451"	288.083006	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+K-2H"	36.948606
"953877"	296.132594	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-H+HCOOH"	44.998194
"375010"	547.267001	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+HCOOH-H"	44.998201
"358530"	561.282651	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+Hac-H"	59.013851
"1507241"	310.148251	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Hac-H"	59.013851
"971257"	318.114551	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-H+NaCOOH"	66.980151
"121260"	286.103802	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+2Cl"	69.938804
"556447"	411.671002	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+2Cl"	69.938804
"1028530"	160.536602	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2Cl"	69.938804
"1245921"	330.053285	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Br"	78.918885
"1311648"	332.109272	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Cl+HCOOH"	80.974872
"1332799"	354.091229	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Cl+NaCOOH"	102.956829
"925677"	364.119986	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M-H+CF3COOH"	112.985586
"1300924"	400.096664	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Cl+CF3COOH"	148.962264
"1382246"	216.121724	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H-2H2O"	-35.012676
"1396950"	234.1317	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H-H2O"	-17.0027
"295178"	503.276076	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+H"	1.007276
"683588"	754.410476	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+H"	1.007276
"1357748"	252.141676	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H"	1.007276
"131732"	252.141676	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+2H"	2.014552
"572386"	377.708876	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+2H"	2.014552
"1041185"	126.574476	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2H"	2.014552
"209086"	168.430209333333	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+3H"	3.021828
"650836"	252.141676	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+3H"	3.021828
"1165684"	84.7187426666667	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+3H"	3.021828
"433331"	520.302623	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+NH4"	18.033823
"797610"	771.437023	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+NH4"	18.033823
"1693940"	269.168223	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+NH4"	18.033823
"344047"	260.6549495	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+H+NH4"	19.041099
"731359"	386.2221495	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+H+NH4"	19.041099
"1489565"	135.0877495	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H+NH4"	19.041099
"402779"	525.258018	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+Na"	22.989218
"763774"	776.392418	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+Na"	22.989218
"1611873"	274.123618	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Na"	22.989218
"322637"	263.132647	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+H+Na"	23.996494
"718703"	388.699847	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+H+Na"	23.996494
"1472524"	137.565447	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H+Na"	23.996494
"1062851"	92.0460566666667	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2H+Na"	25.00377
"1268905"	284.167886	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+CH3OH+H"	33.033486
"390030"	541.231958	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+K"	38.963158
"746651"	792.366358	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+K"	38.963158
"1551619"	290.097558	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+K"	38.963158
"307335"	271.119617	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+H+K"	39.970434
"697567"	396.686817	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+H+K"	39.970434
"1449197"	145.552417	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H+K"	39.970434
"239983"	544.302626	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+ACN+H"	42.033826
"1212697"	293.168226	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+ACN+H"	42.033826
"1197672"	147.087751	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+ACN+2H"	43.041102
"192360"	547.23996	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+2Na-H"	44.97116
"631200"	798.37436	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+2Na-H"	44.97116
"1137988"	296.10556	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2Na-H"	44.97116
"181279"	274.123618	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+2Na"	45.978436
"625952"	399.690818	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+2Na"	45.978436
"1129458"	148.556418	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2Na"	45.978436
"1410426"	99.3733706666667	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H+2Na"	46.985712
"1438895"	298.147146	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H+HCOOH"	47.012746
"232603"	279.15664	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+3H2O+2H"	56.04448
"1521271"	312.19919	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+IsoProp+H"	61.06479
"418526"	282.110588	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+Na+K"	61.952376
"782809"	407.677788	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+Na+K"	61.952376
"1678773"	156.543388	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Na+K"	61.952376
"264200"	566.284568	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+ACN+Na"	64.015768
"1239584"	315.150168	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+ACN+Na"	64.015768
"1727502"	315.173693	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+NH4+HCOOH"	64.039293
"1193219"	106.700684666667	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+3Na"	68.967654
"1664082"	320.129088	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Na+HCOOH"	68.994688
"163894"	579.18784	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+2K-H"	76.91904
"604547"	830.32224	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+2K-H"	76.91904
"1090153"	328.05344	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2K-H"	76.91904
"151342"	290.097558	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"2M+2K"	77.926316
"586529"	415.664758	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"3M+2K"	77.926316
"1083815"	164.530358	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2K"	77.926316
"1115521"	330.067992	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2K+H"	78.933592
"1350369"	330.155607	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+DMSO+H"	79.021207
"1021243"	334.194776	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2ACN+H"	83.060376
"1537875"	335.188408	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+IsoProp+Na+H"	84.054008
"1000311"	167.601026	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+2ACN+2H"	84.067652
"1594815"	336.103028	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+K+HCOOH"	84.968628
"1422662"	366.134538	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+H+CF3COOH"	115.000138
"1154043"	188.114301	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+3ACN+2H"	125.094202
"1707970"	383.161085	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+NH4+CF3COOH"	132.026685
"1646902"	388.11648	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+Na+CF3COOH"	136.98208
"1580365"	404.09042	"C18760"	"Prosulfocarb"	"C14H21NOS"	"251.1344"	"M+K+CF3COOH"	152.95602
"810731"	373.0861	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M"	0
"982076"	354.06771	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-H2O-H"	-19.01839
"67038"	247.716790666667	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M-3H"	-3.021828
"507691"	372.078824	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M-3H"	-3.021828
"885493"	123.354757333333	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-3H"	-3.021828
"6257"	372.078824	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M-2H"	-2.014552
"445818"	558.621874	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M-2H"	-2.014552
"830186"	185.535774	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-2H"	-2.014552
"92981"	745.164924	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M-H"	-1.007276
"533024"	1118.251024	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M-H"	-1.007276
"910581"	372.078824	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-H"	-1.007276
"59736"	762.191471	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M-2H+NH4"	16.019271
"500023"	1135.277571	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M-2H+NH4"	16.019271
"874909"	389.105371	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-2H+NH4"	16.019271
"43538"	767.146866	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M-2H+Na"	20.974666
"482733"	1140.232966	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M-2H+Na"	20.974666
"859806"	394.060766	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-2H+Na"	20.974666
"1627517"	394.060766	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Na-2H"	20.974666
"99674"	390.067163	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M-H+Cl"	33.962126
"534533"	576.610213	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M-H+Cl"	33.962126
"928741"	203.524113	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-H+Cl"	33.962126
"271307"	781.141602	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+Cl"	34.969402
"664823"	1154.227702	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+Cl"	34.969402
"1273457"	408.055502	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Cl"	34.969402
"15844"	783.120806	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M-2H+K"	36.948606
"457157"	1156.206906	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M-2H+K"	36.948606
"841521"	410.034706	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-2H+K"	36.948606
"1562821"	410.034706	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+K-2H"	36.948606
"944506"	418.084294	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-H+HCOOH"	44.998194
"372204"	791.170401	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+HCOOH-H"	44.998201
"357909"	805.186051	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+Hac-H"	59.013851
"1506743"	432.099951	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Hac-H"	59.013851
"971732"	440.066251	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-H+NaCOOH"	66.980151
"121370"	408.055502	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+2Cl"	69.938804
"554369"	594.598552	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+2Cl"	69.938804
"1022803"	221.512452	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2Cl"	69.938804
"1243840"	452.004985	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Br"	78.918885
"1307385"	454.060972	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Cl+HCOOH"	80.974872
"1327069"	476.042929	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Cl+NaCOOH"	102.956829
"917033"	486.071686	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M-H+CF3COOH"	112.985586
"1301034"	522.048364	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Cl+CF3COOH"	148.962264
"1379925"	338.073424	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H-2H2O"	-35.012676
"1394868"	356.0834	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H-H2O"	-17.0027
"297109"	747.179476	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+H"	1.007276
"683698"	1120.265576	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+H"	1.007276
"1356765"	374.093376	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H"	1.007276
"131842"	374.093376	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+2H"	2.014552
"572496"	560.636426	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+2H"	2.014552
"1041295"	187.550326	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2H"	2.014552
"209196"	249.731342666667	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+3H"	3.021828
"652038"	374.093376	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+3H"	3.021828
"1167980"	125.369309333333	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+3H"	3.021828
"432348"	764.206023	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+NH4"	18.033823
"797720"	1137.292123	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+NH4"	18.033823
"1693686"	391.119923	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+NH4"	18.033823
"344401"	382.6066495	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+H+NH4"	19.041099
"731469"	569.1496995	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+H+NH4"	19.041099
"1489675"	196.0635995	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H+NH4"	19.041099
"402889"	769.161418	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+Na"	22.989218
"762791"	1142.247518	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+Na"	22.989218
"1609797"	396.075318	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Na"	22.989218
"322017"	385.084347	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+H+Na"	23.996494
"718084"	571.627397	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+H+Na"	23.996494
"1471176"	198.541297	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H+Na"	23.996494
"1064782"	132.696623333333	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2H+Na"	25.00377
"1268650"	406.119586	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+CH3OH+H"	33.033486
"388318"	785.135358	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+K"	38.963158
"746031"	1158.221458	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+K"	38.963158
"1551365"	412.049258	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+K"	38.963158
"303071"	393.071317	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+H+K"	39.970434
"697677"	579.614367	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+H+K"	39.970434
"1449307"	206.528267	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H+K"	39.970434
"242279"	788.206026	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+ACN+H"	42.033826
"1212439"	415.119926	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+ACN+H"	42.033826
"1197782"	208.063601	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+ACN+2H"	43.041102
"193930"	791.14336	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+2Na-H"	44.97116
"632400"	1164.22946	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+2Na-H"	44.97116
"1139191"	418.05726	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2Na-H"	44.97116
"181389"	396.075318	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+2Na"	45.978436
"625697"	582.618368	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+2Na"	45.978436
"1128110"	209.532268	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2Na"	45.978436
"1407984"	140.023937333333	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H+2Na"	46.985712
"1436818"	420.098846	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H+HCOOH"	47.012746
"231981"	401.10834	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+3H2O+2H"	56.04448
"1514576"	434.15089	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+IsoProp+H"	61.06479
"418636"	404.062288	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+Na+K"	61.952376
"783282"	590.605338	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+Na+K"	61.952376
"1678519"	217.519238	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Na+K"	61.952376
"262851"	810.187968	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+ACN+Na"	64.015768
"1239572"	437.101868	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+ACN+Na"	64.015768
"1726635"	437.125393	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+NH4+HCOOH"	64.039293
"1190166"	147.351251333333	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+3Na"	68.967654
"1664070"	442.080788	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Na+HCOOH"	68.994688
"169473"	823.09124	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+2K-H"	76.91904
"604658"	1196.17734	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+2K-H"	76.91904
"1091357"	450.00514	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2K-H"	76.91904
"147079"	412.049258	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"2M+2K"	77.926316
"583359"	598.592308	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"3M+2K"	77.926316
"1083766"	225.506208	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2K"	77.926316
"1115076"	452.019692	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2K+H"	78.933592
"1349630"	452.107307	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+DMSO+H"	79.021207
"1021311"	456.146476	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2ACN+H"	83.060376
"1537984"	457.140108	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+IsoProp+Na+H"	84.054008
"1001515"	228.576876	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+2ACN+2H"	84.067652
"1594925"	458.054728	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+K+HCOOH"	84.968628
"1426053"	488.086238	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+H+CF3COOH"	115.000138
"1154154"	249.090151	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+3ACN+2H"	125.094202
"1704800"	505.112785	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+NH4+CF3COOH"	132.026685
"1645918"	510.06818	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+Na+CF3COOH"	136.98208
"1580475"	526.04212	"C18761"	"Pyrazophos"	"C14H20N3O5PS"	"373.0861"	"M+K+CF3COOH"	152.95602
"810841"	340.0647	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M"	0
"982186"	321.04631	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-H2O-H"	-19.01839
"73709"	225.702524	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M-3H"	-3.021828
"507802"	339.057424	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M-3H"	-3.021828
"885603"	112.347624	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-3H"	-3.021828
"6367"	339.057424	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M-2H"	-2.014552
"443744"	509.089774	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M-2H"	-2.014552
"832489"	169.025074	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-2H"	-2.014552
"93823"	679.122124	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M-H"	-1.007276
"534106"	1019.186824	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M-H"	-1.007276
"911178"	339.057424	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-H"	-1.007276
"60575"	696.148671	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M-2H+NH4"	16.019271
"501956"	1036.213371	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M-2H+NH4"	16.019271
"872833"	356.083971	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-2H+NH4"	16.019271
"44742"	701.104066	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M-2H+Na"	20.974666
"483573"	1041.168766	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M-2H+Na"	20.974666
"860281"	361.039366	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-2H+Na"	20.974666
"1629814"	361.039366	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Na-2H"	20.974666
"98692"	357.045763	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M-H+Cl"	33.962126
"537158"	527.078113	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M-H+Cl"	33.962126
"928849"	187.013413	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-H+Cl"	33.962126
"269587"	715.098802	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+Cl"	34.969402
"662010"	1055.163502	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+Cl"	34.969402
"1273932"	375.034102	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Cl"	34.969402
"16321"	717.078006	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M-2H+K"	36.948606
"457267"	1057.142706	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M-2H+K"	36.948606
"840538"	377.013306	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-2H+K"	36.948606
"1560744"	377.013306	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+K-2H"	36.948606
"944615"	385.062894	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-H+HCOOH"	44.998194
"372314"	725.127601	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+HCOOH-H"	44.998201
"355103"	739.143251	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+Hac-H"	59.013851
"1506124"	399.078551	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Hac-H"	59.013851
"972085"	407.044851	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-H+NaCOOH"	66.980151
"123667"	375.034102	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+2Cl"	69.938804
"556666"	545.066452	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+2Cl"	69.938804
"1022914"	205.001752	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2Cl"	69.938804
"1242857"	418.983585	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Br"	78.918885
"1307130"	421.039572	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Cl+HCOOH"	80.974872
"1327179"	443.021529	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Cl+NaCOOH"	102.956829
"919331"	453.050286	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M-H+CF3COOH"	112.985586
"1300415"	489.026964	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Cl+CF3COOH"	148.962264
"1380035"	305.052024	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H-2H2O"	-35.012676
"1397858"	323.062	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H-H2O"	-17.0027
"297219"	681.136676	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+H"	1.007276
"688183"	1021.201376	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+H"	1.007276
"1363073"	341.071976	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H"	1.007276
"129767"	341.071976	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+2H"	2.014552
"575887"	511.104326	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+2H"	2.014552
"1046875"	171.039626	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2H"	2.014552
"213680"	227.717076	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+3H"	3.021828
"652148"	341.071976	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+3H"	3.021828
"1165904"	114.362176	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+3H"	3.021828
"431365"	698.163223	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+NH4"	18.033823
"800019"	1038.227923	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+NH4"	18.033823
"1695985"	358.098523	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+NH4"	18.033823
"344631"	349.5852495	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+H+NH4"	19.041099
"736684"	519.6175995	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+H+NH4"	19.041099
"1486507"	179.5528995	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H+NH4"	19.041099
"401179"	703.118618	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+Na"	22.989218
"761808"	1043.183318	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+Na"	22.989218
"1611000"	363.053918	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Na"	22.989218
"324314"	352.062947	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+H+Na"	23.996494
"719288"	522.095297	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+H+Na"	23.996494
"1471649"	182.030597	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H+Na"	23.996494
"1064530"	121.68949	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2H+Na"	25.00377
"1269852"	373.098186	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+CH3OH+H"	33.033486
"389521"	719.092558	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+K"	38.963158
"749421"	1059.157258	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+K"	38.963158
"1550379"	379.027858	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+K"	38.963158
"307555"	360.049917	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+H+K"	39.970434
"695599"	530.082267	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+H+K"	39.970434
"1448322"	190.017567	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H+K"	39.970434
"239109"	722.163226	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+ACN+H"	42.033826
"1212914"	382.098526	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+ACN+H"	42.033826
"1198985"	191.552901	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+ACN+2H"	43.041102
"192947"	725.10056	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+2Na-H"	44.97116
"632511"	1065.16526	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+2Na-H"	44.97116
"1138208"	385.03586	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2Na-H"	44.97116
"179313"	363.053918	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+2Na"	45.978436
"626170"	533.086268	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+2Na"	45.978436
"1129312"	193.021568	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2Na"	45.978436
"1409187"	129.016804	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H+2Na"	46.985712
"1441303"	387.077446	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H+HCOOH"	47.012746
"232091"	368.08694	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+3H2O+2H"	56.04448
"1514686"	401.12949	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+IsoProp+H"	61.06479
"418746"	371.040888	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+Na+K"	61.952376
"784242"	541.073238	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+Na+K"	61.952376
"1678629"	201.008538	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Na+K"	61.952376
"261502"	744.145168	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+ACN+Na"	64.015768
"1240290"	404.080468	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+ACN+Na"	64.015768
"1727475"	404.103993	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+NH4+HCOOH"	64.039293
"1191369"	136.344118	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+3Na"	68.967654
"1665436"	409.059388	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Na+HCOOH"	68.994688
"163022"	757.04844	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+2K-H"	76.91904
"603675"	1097.11314	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+2K-H"	76.91904
"1090374"	416.98374	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2K-H"	76.91904
"147189"	379.027858	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"2M+2K"	77.926316
"582498"	549.060208	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"3M+2K"	77.926316
"1083880"	208.995508	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2K"	77.926316
"1114941"	418.998292	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2K+H"	78.933592
"1350713"	419.085907	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+DMSO+H"	79.021207
"1021256"	423.125076	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2ACN+H"	83.060376
"1537852"	424.118708	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+IsoProp+Na+H"	84.054008
"1001625"	212.066176	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+2ACN+2H"	84.067652
"1599410"	425.033328	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+K+HCOOH"	84.968628
"1423978"	455.064838	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+H+CF3COOH"	115.000138
"1150984"	232.579451	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+3ACN+2H"	125.094202
"1708191"	472.091385	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+NH4+CF3COOH"	132.026685
"1646028"	477.04678	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+Na+CF3COOH"	136.98208
"1580585"	493.02072	"C18762"	"Pyridafenthion;Pyridaphenthion"	"C14H17N2O4PS"	"340.0647"	"M+K+CF3COOH"	152.95602
"810951"	344.0564	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M"	0
"984483"	325.03801	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-H2O-H"	-19.01839
"73819"	228.363657333333	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M-3H"	-3.021828
"507912"	343.049124	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M-3H"	-3.021828
"885713"	113.678190666667	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-3H"	-3.021828
"7570"	343.049124	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M-2H"	-2.014552
"444945"	515.077324	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M-2H"	-2.014552
"831499"	171.020924	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-2H"	-2.014552
"94008"	687.105524	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M-H"	-1.007276
"532145"	1031.161924	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M-H"	-1.007276
"910195"	343.049124	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-H"	-1.007276
"61052"	704.132071	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M-2H+NH4"	16.019271
"500729"	1048.188471	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M-2H+NH4"	16.019271
"875130"	360.075671	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-2H+NH4"	16.019271
"44124"	709.087466	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M-2H+Na"	20.974666
"484412"	1053.143866	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M-2H+Na"	20.974666
"861486"	365.031066	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-2H+Na"	20.974666
"1631019"	365.031066	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Na-2H"	20.974666
"105359"	361.037463	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M-H+Cl"	33.962126
"540547"	533.065663	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M-H+Cl"	33.962126
"930780"	189.009263	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-H+Cl"	33.962126
"269697"	723.082202	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+Cl"	34.969402
"662847"	1067.138602	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+Cl"	34.969402
"1275620"	379.025802	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Cl"	34.969402
"17202"	725.061406	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M-2H+K"	36.948606
"459563"	1069.117806	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M-2H+K"	36.948606
"840647"	381.005006	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-2H+K"	36.948606
"1560854"	381.005006	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+K-2H"	36.948606
"944725"	389.054594	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-H+HCOOH"	44.998194
"372424"	733.111001	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+HCOOH-H"	44.998201
"356306"	747.126651	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+Hac-H"	59.013851
"1505141"	403.070251	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Hac-H"	59.013851
"970494"	411.036551	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-H+NaCOOH"	66.980151
"125604"	379.025802	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+2Cl"	69.938804
"556776"	551.054002	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+2Cl"	69.938804
"1024483"	206.997602	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2Cl"	69.938804
"1244426"	422.975285	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Br"	78.918885
"1311979"	425.031272	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Cl+HCOOH"	80.974872
"1328382"	447.013229	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Cl+NaCOOH"	102.956829
"921993"	457.041986	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M-H+CF3COOH"	112.985586
"1299432"	493.018664	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Cl+CF3COOH"	148.962264
"1379415"	309.043724	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H-2H2O"	-35.012676
"1395088"	327.0537	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H-H2O"	-17.0027
"291494"	689.120076	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+H"	1.007276
"680636"	1033.176476	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+H"	1.007276
"1354069"	345.063676	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H"	1.007276
"130969"	345.063676	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+2H"	2.014552
"569435"	517.091876	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+2H"	2.014552
"1041515"	173.035476	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2H"	2.014552
"206863"	230.378209333333	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+3H"	3.021828
"652258"	345.063676	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+3H"	3.021828
"1165284"	115.692742666667	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+3H"	3.021828
"432568"	706.146623	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+NH4"	18.033823
"791376"	1050.203023	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+NH4"	18.033823
"1695732"	362.090223	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+NH4"	18.033823
"344371"	353.5769495	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+H+NH4"	19.041099
"737158"	525.6051495	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+H+NH4"	19.041099
"1489898"	181.5487495	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H+NH4"	19.041099
"402018"	711.102018	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+Na"	22.989218
"764103"	1055.158418	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+Na"	22.989218
"1614388"	367.045618	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Na"	22.989218
"324425"	356.054647	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+H+Na"	23.996494
"716846"	528.082847	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+H+Na"	23.996494
"1469572"	184.026447	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H+Na"	23.996494
"1065003"	123.020056666667	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2H+Na"	25.00377
"1267774"	377.089886	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+CH3OH+H"	33.033486
"392304"	727.075958	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+K"	38.963158
"751719"	1071.132358	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+K"	38.963158
"1550489"	383.019558	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+K"	38.963158
"310945"	364.041617	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+H+K"	39.970434
"695711"	536.069817	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+H+K"	39.970434
"1449529"	192.013417	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H+K"	39.970434
"239586"	730.146626	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+ACN+H"	42.033826
"1213755"	386.090226	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+ACN+H"	42.033826
"1198005"	193.548751	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+ACN+2H"	43.041102
"193424"	733.08396	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+2Na-H"	44.97116
"634812"	1077.14036	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+2Na-H"	44.97116
"1140505"	389.02756	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2Na-H"	44.97116
"182703"	367.045618	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+2Na"	45.978436
"626648"	539.073818	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+2Na"	45.978436
"1129786"	195.017418	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2Na"	45.978436
"1412579"	130.347370666667	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H+2Na"	46.985712
"1445184"	391.069146	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H+HCOOH"	47.012746
"234033"	372.07864	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+3H2O+2H"	56.04448
"1523181"	405.12119	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+IsoProp+H"	61.06479
"421043"	375.032588	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+Na+K"	61.952376
"784722"	547.060788	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+Na+K"	61.952376
"1680197"	203.004388	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Na+K"	61.952376
"265623"	752.128568	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+ACN+Na"	64.015768
"1240157"	408.072168	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+ACN+Na"	64.015768
"1727828"	408.095693	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+NH4+HCOOH"	64.039293
"1193424"	137.674684666667	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+3Na"	68.967654
"1665028"	413.051088	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Na+HCOOH"	68.994688
"163135"	765.03184	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+2K-H"	76.91904
"602694"	1109.08824	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+2K-H"	76.91904
"1095953"	420.97544	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2K-H"	76.91904
"152767"	383.019558	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"2M+2K"	77.926316
"587955"	555.047758	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"3M+2K"	77.926316
"1080130"	210.991358	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2K"	77.926316
"1113219"	422.989992	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2K+H"	78.933592
"1348630"	423.077607	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+DMSO+H"	79.021207
"1018254"	427.116776	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2ACN+H"	83.060376
"1538934"	428.110408	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+IsoProp+Na+H"	84.054008
"1001735"	214.062026	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+2ACN+2H"	84.067652
"1596237"	429.025028	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+K+HCOOH"	84.968628
"1424086"	459.056538	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+H+CF3COOH"	115.000138
"1151093"	234.575301	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+3ACN+2H"	125.094202
"1705020"	476.083085	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+NH4+CF3COOH"	132.026685
"1646138"	481.03848	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+Na+CF3COOH"	136.98208
"1580695"	497.01242	"C18763"	"Quizalofop"	"C17H13ClN2O4"	"344.0564"	"M+K+CF3COOH"	152.95602
"811061"	428.1139	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M"	0
"982406"	409.09551	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-H2O-H"	-19.01839
"70648"	284.401990666667	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M-3H"	-3.021828
"511302"	427.106624	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M-3H"	-3.021828
"882544"	141.697357333333	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-3H"	-3.021828
"7681"	427.106624	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M-2H"	-2.014552
"445056"	641.163574	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M-2H"	-2.014552
"822128"	213.049674	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-2H"	-2.014552
"91601"	855.220524	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M-H"	-1.007276
"533348"	1283.334424	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M-H"	-1.007276
"909940"	427.106624	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-H"	-1.007276
"62496"	872.247071	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M-2H+NH4"	16.019271
"501936"	1300.360971	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M-2H+NH4"	16.019271
"879373"	444.133171	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-2H+NH4"	16.019271
"46424"	877.202466	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M-2H+Na"	20.974666
"486351"	1305.316366	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M-2H+Na"	20.974666
"862693"	449.088566	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-2H+Na"	20.974666
"1632224"	449.088566	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Na-2H"	20.974666
"108632"	445.094963	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M-H+Cl"	33.962126
"545032"	659.151913	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M-H+Cl"	33.962126
"935267"	231.038013	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-H+Cl"	33.962126
"280386"	891.197202	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+Cl"	34.969402
"665152"	1319.311102	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+Cl"	34.969402
"1274272"	463.083302	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Cl"	34.969402
"15974"	893.176406	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M-2H+K"	36.948606
"460037"	1321.290306	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M-2H+K"	36.948606
"840756"	465.062506	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-2H+K"	36.948606
"1562059"	465.062506	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+K-2H"	36.948606
"948847"	473.112094	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-H+HCOOH"	44.998194
"375087"	901.226001	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+HCOOH-H"	44.998201
"360064"	915.241651	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+Hac-H"	59.013851
"1507850"	487.127751	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Hac-H"	59.013851
"971699"	495.094051	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-H+NaCOOH"	66.980151
"125584"	463.083302	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+2Cl"	69.938804
"565112"	677.140252	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+2Cl"	69.938804
"1032248"	249.026352	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2Cl"	69.938804
"1252920"	507.032785	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Br"	78.918885
"1314278"	509.088772	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Cl+HCOOH"	80.974872
"1334326"	531.070729	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Cl+NaCOOH"	102.956829
"922832"	541.099486	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M-H+CF3COOH"	112.985586
"1303319"	577.076164	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Cl+CF3COOH"	148.962264
"1382697"	393.101224	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H-2H2O"	-35.012676
"1398006"	411.1112	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H-H2O"	-17.0027
"298334"	857.235076	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+H"	1.007276
"686215"	1285.348976	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+H"	1.007276
"1360377"	429.121176	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H"	1.007276
"135090"	429.121176	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+2H"	2.014552
"576107"	643.178126	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+2H"	2.014552
"1044906"	215.064226	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2H"	2.014552
"209890"	286.416542666667	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+3H"	3.021828
"652368"	429.121176	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+3H"	3.021828
"1171593"	143.711909333333	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+3H"	3.021828
"431586"	874.261623	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+NH4"	18.033823
"794766"	1302.375523	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+NH4"	18.033823
"1694382"	446.147723	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+NH4"	18.033823
"341565"	437.6344495	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+H+NH4"	19.041099
"736539"	651.6913995	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+H+NH4"	19.041099
"1488915"	223.5774995	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H+NH4"	19.041099
"402127"	879.217018	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+Na"	22.989218
"762027"	1307.330918	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+Na"	22.989218
"1613405"	451.103118	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Na"	22.989218
"325629"	440.112147	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+H+Na"	23.996494
"716959"	654.169097	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+H+Na"	23.996494
"1471870"	226.055197	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H+Na"	23.996494
"1067182"	151.039223333333	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2H+Na"	25.00377
"1271167"	461.147386	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+CH3OH+H"	33.033486
"392334"	895.190958	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+K"	38.963158
"752925"	1323.304858	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+K"	38.963158
"1555385"	467.077058	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+K"	38.963158
"313488"	448.099117	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+H+K"	39.970434
"700197"	662.156067	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+H+K"	39.970434
"1451829"	234.042167	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H+K"	39.970434
"240430"	898.261626	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+ACN+H"	42.033826
"1220796"	470.147726	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+ACN+H"	42.033826
"1201398"	235.577501	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+ACN+2H"	43.041102
"191349"	901.19896	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+2Na-H"	44.97116
"638204"	1329.31286	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+2Na-H"	44.97116
"1137335"	473.08506	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2Na-H"	44.97116
"182813"	451.103118	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+2Na"	45.978436
"627851"	665.160068	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+2Na"	45.978436
"1130260"	237.046168	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2Na"	45.978436
"1412689"	158.366537333333	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H+2Na"	46.985712
"1445292"	475.126646	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H+HCOOH"	47.012746
"235686"	456.13614	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+3H2O+2H"	56.04448
"1523291"	489.17869	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+IsoProp+H"	61.06479
"418966"	459.090088	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+Na+K"	61.952376
"785154"	673.147038	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+Na+K"	61.952376
"1678484"	245.033138	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Na+K"	61.952376
"265733"	920.243568	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+ACN+Na"	64.015768
"1241231"	492.129668	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+ACN+Na"	64.015768
"1728264"	492.153193	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+NH4+HCOOH"	64.039293
"1193615"	165.693851333333	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+3Na"	68.967654
"1665425"	497.108588	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Na+HCOOH"	68.994688
"170899"	933.14684	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+2K-H"	76.91904
"610458"	1361.26074	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+2K-H"	76.91904
"1096062"	505.03294	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2K-H"	76.91904
"151784"	467.077058	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"2M+2K"	77.926316
"589159"	681.134008	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"3M+2K"	77.926316
"1081333"	253.020108	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2K"	77.926316
"1115279"	507.047492	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2K+H"	78.933592
"1351096"	507.135107	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+DMSO+H"	79.021207
"1018364"	511.174276	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2ACN+H"	83.060376
"1536491"	512.167908	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+IsoProp+Na+H"	84.054008
"999659"	256.090776	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+2ACN+2H"	84.067652
"1597443"	513.082528	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+K+HCOOH"	84.968628
"1426384"	543.114038	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+H+CF3COOH"	115.000138
"1151204"	276.604051	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+3ACN+2H"	125.094202
"1705131"	560.140585	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+NH4+CF3COOH"	132.026685
"1645155"	565.09598	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+Na+CF3COOH"	136.98208
"1580805"	581.06992	"C18764"	"Quizalofop-P-tefuryl"	"C22H21ClN2O5"	"428.1139"	"M+K+CF3COOH"	152.95602
"811171"	105.9434	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M"	0
"981423"	86.92501	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-H2O-H"	-19.01839
"70758"	69.6216573333333	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M-3H"	-3.021828
"514692"	104.936124	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M-3H"	-3.021828
"885934"	34.3071906666667	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-3H"	-3.021828
"498"	104.936124	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M-2H"	-2.014552
"442976"	157.907824	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M-2H"	-2.014552
"819685"	51.964424	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-2H"	-2.014552
"87335"	210.879524	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M-H"	-1.007276
"533215"	316.822924	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M-H"	-1.007276
"909076"	104.936124	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-H"	-1.007276
"62243"	227.906071	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M-2H+NH4"	16.019271
"501802"	333.849471	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M-2H+NH4"	16.019271
"878632"	121.962671	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-2H+NH4"	16.019271
"45440"	232.861466	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M-2H+Na"	20.974666
"486664"	338.804866	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M-2H+Na"	20.974666
"863531"	126.918066	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-2H+Na"	20.974666
"1632334"	126.918066	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Na-2H"	20.974666
"102302"	122.924463	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M-H+Cl"	33.962126
"540767"	175.896163	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M-H+Cl"	33.962126
"934283"	69.952763	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-H+Cl"	33.962126
"277216"	246.856202	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+Cl"	34.969402
"665262"	352.799602	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+Cl"	34.969402
"1273020"	140.912802	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Cl"	34.969402
"15825"	248.835406	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M-2H+K"	36.948606
"459783"	354.778806	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M-2H+K"	36.948606
"840866"	142.892006	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-2H+K"	36.948606
"1564355"	142.892006	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+K-2H"	36.948606
"948957"	150.941594	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-H+HCOOH"	44.998194
"375197"	256.885001	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+HCOOH-H"	44.998201
"359445"	270.900651	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+Hac-H"	59.013851
"1507797"	164.957251	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Hac-H"	59.013851
"971809"	172.923551	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-H+NaCOOH"	66.980151
"125637"	140.912802	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+2Cl"	69.938804
"565383"	193.884502	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+2Cl"	69.938804
"1032360"	87.941102	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2Cl"	69.938804
"1250844"	184.862285	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Br"	78.918885
"1316212"	186.918272	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Cl+HCOOH"	80.974872
"1329698"	208.900229	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Cl+NaCOOH"	102.956829
"916014"	218.928986	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M-H+CF3COOH"	112.985586
"1303831"	254.905664	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Cl+CF3COOH"	148.962264
"1382435"	70.930724	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H-2H2O"	-35.012676
"1398190"	88.9407	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H-H2O"	-17.0027
"295361"	212.894076	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+H"	1.007276
"686323"	318.837476	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+H"	1.007276
"1362676"	106.950676	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H"	1.007276
"135930"	106.950676	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+2H"	2.014552
"574031"	159.922376	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+2H"	2.014552
"1047204"	53.978976	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2H"	2.014552
"210730"	71.6362093333333	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+3H"	3.021828
"651385"	106.950676	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+3H"	3.021828
"1169516"	36.3217426666667	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+3H"	3.021828
"433882"	229.920623	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+NH4"	18.033823
"794876"	335.864023	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+NH4"	18.033823
"1694494"	123.977223	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+NH4"	18.033823
"343863"	115.4639495	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+H+NH4"	19.041099
"735191"	168.4356495	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+H+NH4"	19.041099
"1491213"	62.4922495	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H+NH4"	19.041099
"403333"	234.876018	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+Na"	22.989218
"766514"	340.819418	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+Na"	22.989218
"1613518"	128.932618	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Na"	22.989218
"325741"	117.941647	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+H+Na"	23.996494
"721443"	170.913347	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+H+Na"	23.996494
"1475264"	64.969947	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H+Na"	23.996494
"1067051"	43.6490566666667	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2H+Na"	25.00377
"1272332"	138.976886	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+CH3OH+H"	33.033486
"390943"	250.849958	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+K"	38.963158
"754150"	356.793358	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+K"	38.963158
"1554359"	144.906558	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+K"	38.963158
"311533"	125.928617	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+H+K"	39.970434
"700307"	178.900317	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+H+K"	39.970434
"1449753"	72.956917	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H+K"	39.970434
"237989"	253.920626	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+ACN+H"	42.033826
"1223093"	147.977226	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+ACN+H"	42.033826
"1199322"	74.492251	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+ACN+2H"	43.041102
"192553"	256.85796	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+2Na-H"	44.97116
"638314"	362.80136	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+2Na-H"	44.97116
"1138534"	150.91456	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2Na-H"	44.97116
"181829"	128.932618	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+2Na"	45.978436
"620297"	181.904318	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+2Na"	45.978436
"1128184"	75.960918	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2Na"	45.978436
"1411342"	50.9763706666667	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H+2Na"	46.985712
"1445323"	152.956146	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H+HCOOH"	47.012746
"235678"	133.96564	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+3H2O+2H"	56.04448
"1523037"	167.00819	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+IsoProp+H"	61.06479
"418348"	136.919588	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+Na+K"	61.952376
"778977"	189.891288	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+Na+K"	61.952376
"1676401"	83.947888	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Na+K"	61.952376
"263656"	275.902568	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+ACN+Na"	64.015768
"1240375"	169.959168	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+ACN+Na"	64.015768
"1724158"	169.982693	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+NH4+HCOOH"	64.039293
"1193644"	58.3036846666667	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+3Na"	68.967654
"1665559"	174.938088	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Na+HCOOH"	68.994688
"172628"	288.80584	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+2K-H"	76.91904
"611661"	394.74924	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+2K-H"	76.91904
"1098238"	182.86244	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2K-H"	76.91904
"151894"	144.906558	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"2M+2K"	77.926316
"589269"	197.878258	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"3M+2K"	77.926316
"1081443"	91.934858	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2K"	77.926316
"1115348"	184.876992	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2K+H"	78.933592
"1351043"	184.964607	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+DMSO+H"	79.021207
"1020177"	189.003776	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2ACN+H"	83.060376
"1536601"	189.997408	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+IsoProp+Na+H"	84.054008
"1001956"	95.005526	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+2ACN+2H"	84.067652
"1597553"	190.912028	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+K+HCOOH"	84.968628
"1426494"	220.943538	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+H+CF3COOH"	115.000138
"1151314"	115.518801	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+3ACN+2H"	125.094202
"1705241"	237.970085	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+NH4+CF3COOH"	132.026685
"1644172"	242.92548	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+Na+CF3COOH"	136.98208
"1580915"	258.89942	"C18765"	"Sodium chlorate"	"O3ClNa"	"105.9434"	"M+K+CF3COOH"	152.95602
"811281"	526.9848	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M"	0
"981533"	507.96641	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-H2O-H"	-19.01839
"70868"	350.315924	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M-3H"	-3.021828
"514802"	525.977524	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M-3H"	-3.021828
"886044"	174.654324	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-3H"	-3.021828
"401"	525.977524	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M-2H"	-2.014552
"443086"	789.469924	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M-2H"	-2.014552
"818700"	262.485124	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-2H"	-2.014552
"85256"	1052.962324	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M-H"	-1.007276
"527004"	1579.947124	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M-H"	-1.007276
"910645"	525.977524	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-H"	-1.007276
"61136"	1069.988871	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M-2H+NH4"	16.019271
"500818"	1596.973671	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M-2H+NH4"	16.019271
"878134"	543.004071	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-2H+NH4"	16.019271
"46279"	1074.944266	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M-2H+Na"	20.974666
"485111"	1601.929066	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M-2H+Na"	20.974666
"863158"	547.959466	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-2H+Na"	20.974666
"1631350"	547.959466	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Na-2H"	20.974666
"103505"	543.965863	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M-H+Cl"	33.962126
"540877"	807.458263	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M-H+Cl"	33.962126
"931113"	280.473463	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-H+Cl"	33.962126
"277326"	1088.939002	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+Cl"	34.969402
"665372"	1615.923802	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+Cl"	34.969402
"1275590"	561.954202	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Cl"	34.969402
"15868"	1090.918206	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M-2H+K"	36.948606
"460987"	1617.903006	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M-2H+K"	36.948606
"840977"	563.933406	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-2H+K"	36.948606
"1561185"	563.933406	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+K-2H"	36.948606
"946515"	571.982994	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-H+HCOOH"	44.998194
"374942"	1098.967801	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+HCOOH-H"	44.998201
"360284"	1112.983451	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+Hac-H"	59.013851
"1507904"	585.998651	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Hac-H"	59.013851
"973741"	593.964951	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-H+NaCOOH"	66.980151
"125206"	561.954202	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+2Cl"	69.938804
"564765"	825.446602	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+2Cl"	69.938804
"1032469"	298.461802	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2Cl"	69.938804
"1253140"	605.903685	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Br"	78.918885
"1318510"	607.959672	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Cl+HCOOH"	80.974872
"1330901"	629.941629	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Cl+NaCOOH"	102.956829
"916124"	639.970386	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M-H+CF3COOH"	112.985586
"1303540"	675.947064	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Cl+CF3COOH"	148.962264
"1382428"	491.972124	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H-2H2O"	-35.012676
"1396518"	509.9821	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H-H2O"	-17.0027
"292919"	1054.976876	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+H"	1.007276
"687526"	1581.961676	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+H"	1.007276
"1363150"	527.992076	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H"	1.007276
"134581"	527.992076	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+2H"	2.014552
"570860"	791.484476	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+2H"	2.014552
"1048043"	264.499676	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2H"	2.014552
"210840"	352.330476	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+3H"	3.021828
"652588"	527.992076	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+3H"	3.021828
"1176918"	176.668876	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+3H"	3.021828
"429617"	1072.003423	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+NH4"	18.033823
"790612"	1598.988223	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+NH4"	18.033823
"1694968"	545.018623	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+NH4"	18.033823
"341785"	536.5053495	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+H+NH4"	19.041099
"734937"	799.9977495	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+H+NH4"	19.041099
"1492381"	273.0129495	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H+NH4"	19.041099
"406724"	1076.958818	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+Na"	22.989218
"766625"	1603.943618	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+Na"	22.989218
"1616666"	549.974018	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Na"	22.989218
"327919"	538.983047	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+H+Na"	23.996494
"722619"	802.475447	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+H+Na"	23.996494
"1476797"	275.490647	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H+Na"	23.996494
"1068339"	183.99619	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2H+Na"	25.00377
"1272650"	560.018286	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+CH3OH+H"	33.033486
"391419"	1092.932758	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+K"	38.963158
"753517"	1619.917558	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+K"	38.963158
"1554469"	565.947958	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+K"	38.963158
"312006"	546.970017	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+H+K"	39.970434
"698229"	810.462417	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+H+K"	39.970434
"1452047"	283.477617	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H+K"	39.970434
"242105"	1096.003426	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+ACN+H"	42.033826
"1218828"	569.018626	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+ACN+H"	42.033826
"1200525"	285.012951	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+ACN+2H"	43.041102
"194485"	1098.94076	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+2Na-H"	44.97116
"639517"	1625.92556	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+2Na-H"	44.97116
"1139737"	571.95596	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2Na-H"	44.97116
"181939"	549.974018	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+2Na"	45.978436
"622593"	813.466418	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+2Na"	45.978436
"1126836"	286.481618	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2Na"	45.978436
"1410359"	191.323504	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H+2Na"	46.985712
"1443933"	573.997546	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H+HCOOH"	47.012746
"234725"	555.00704	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+3H2O+2H"	56.04448
"1523798"	588.04959	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+IsoProp+H"	61.06479
"418094"	557.960988	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+Na+K"	61.952376
"779088"	821.453388	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+Na+K"	61.952376
"1675783"	294.468588	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Na+K"	61.952376
"264495"	1117.985368	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+ACN+Na"	64.015768
"1239756"	591.000568	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+ACN+Na"	64.015768
"1726941"	591.024093	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+NH4+HCOOH"	64.039293
"1193148"	198.650818	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+3Na"	68.967654
"1665441"	595.979488	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Na+HCOOH"	68.994688
"172664"	1130.88864	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+2K-H"	76.91904
"611650"	1657.87344	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+2K-H"	76.91904
"1099200"	603.90384	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2K-H"	76.91904
"152004"	565.947958	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"2M+2K"	77.926316
"591566"	829.440358	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"3M+2K"	77.926316
"1082284"	302.455558	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2K"	77.926316
"1115214"	605.918392	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2K+H"	78.933592
"1348960"	606.006007	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+DMSO+H"	79.021207
"1020977"	610.045176	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2ACN+H"	83.060376
"1537804"	611.038808	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+IsoProp+Na+H"	84.054008
"1003159"	305.526226	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+2ACN+2H"	84.067652
"1596570"	611.953428	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+K+HCOOH"	84.968628
"1425511"	641.984938	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+H+CF3COOH"	115.000138
"1154704"	326.039501	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+3ACN+2H"	125.094202
"1705351"	659.011485	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+NH4+CF3COOH"	132.026685
"1643188"	663.96688	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+Na+CF3COOH"	136.98208
"1581025"	679.94082	"C18766"	"Sulfluramid"	"C10H6F17NO2S"	"526.9848"	"M+K+CF3COOH"	152.95602
"811391"	223.9199	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M"	0
"984923"	204.90151	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-H2O-H"	-19.01839
"70978"	148.272657333333	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M-3H"	-3.021828
"514912"	222.912624	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M-3H"	-3.021828
"886154"	73.6326906666667	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-3H"	-3.021828
"4729"	222.912624	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M-2H"	-2.014552
"443196"	334.872574	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M-2H"	-2.014552
"823185"	110.952674	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-2H"	-2.014552
"83542"	446.832524	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M-H"	-1.007276
"528207"	670.752424	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M-H"	-1.007276
"909904"	222.912624	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-H"	-1.007276
"61246"	463.859071	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M-2H+NH4"	16.019271
"499595"	687.778971	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M-2H+NH4"	16.019271
"877032"	239.939171	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-2H+NH4"	16.019271
"44448"	468.814466	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M-2H+Na"	20.974666
"484127"	692.734366	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M-2H+Na"	20.974666
"861201"	244.894566	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-2H+Na"	20.974666
"1630368"	244.894566	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Na-2H"	20.974666
"98148"	240.900963	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M-H+Cl"	33.962126
"535520"	352.860913	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M-H+Cl"	33.962126
"934504"	128.941013	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-H+Cl"	33.962126
"271969"	482.809202	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+Cl"	34.969402
"669857"	706.729102	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+Cl"	34.969402
"1278979"	258.889302	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Cl"	34.969402
"19349"	484.788406	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M-2H+K"	36.948606
"457088"	708.708306	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M-2H+K"	36.948606
"843275"	260.868506	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-2H+K"	36.948606
"1561295"	260.868506	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+K-2H"	36.948606
"946990"	268.918094	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-H+HCOOH"	44.998194
"375299"	492.838001	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+HCOOH-H"	44.998201
"359667"	506.853651	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+Hac-H"	59.013851
"1504487"	282.933751	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Hac-H"	59.013851
"968748"	290.900051	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-H+NaCOOH"	66.980151
"123124"	258.889302	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+2Cl"	69.938804
"559410"	370.849252	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+2Cl"	69.938804
"1031489"	146.929352	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2Cl"	69.938804
"1252888"	302.838785	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Br"	78.918885
"1315339"	304.894772	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Cl+HCOOH"	80.974872
"1331378"	326.876729	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Cl+NaCOOH"	102.956829
"918788"	336.905486	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M-H+CF3COOH"	112.985586
"1301703"	372.882164	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Cl+CF3COOH"	148.962264
"1382295"	188.907224	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H-2H2O"	-35.012676
"1397236"	206.9172	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H-H2O"	-17.0027
"297529"	448.847076	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+H"	1.007276
"686909"	672.766976	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+H"	1.007276
"1361074"	224.927176	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H"	1.007276
"137608"	224.927176	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+2H"	2.014552
"575345"	336.887126	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+2H"	2.014552
"1046331"	112.967226	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2H"	2.014552
"210951"	150.287209333333	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+3H"	3.021828
"651605"	224.927176	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+3H"	3.021828
"1175934"	75.6472426666667	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+3H"	3.021828
"434102"	465.873623	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+NH4"	18.033823
"788535"	689.793523	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+NH4"	18.033823
"1693618"	241.953723	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+NH4"	18.033823
"339709"	233.4404495	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+H+NH4"	19.041099
"734318"	345.4003995	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+H+NH4"	19.041099
"1491918"	121.4804995	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H+NH4"	19.041099
"401364"	470.829018	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+Na"	22.989218
"763454"	694.748918	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+Na"	22.989218
"1615926"	246.909118	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Na"	22.989218
"327419"	235.918147	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+H+Na"	23.996494
"720936"	347.878097	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+H+Na"	23.996494
"1475486"	123.958197	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H+Na"	23.996494
"1067268"	82.9745566666667	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2H+Na"	25.00377
"1271136"	256.953386	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+CH3OH+H"	33.033486
"390070"	486.802958	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+K"	38.963158
"753381"	710.722858	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+K"	38.963158
"1554214"	262.883058	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+K"	38.963158
"312482"	243.905117	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+H+K"	39.970434
"697247"	355.865067	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+H+K"	39.970434
"1453253"	131.945167	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H+K"	39.970434
"243308"	489.873626	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+ACN+H"	42.033826
"1221124"	265.953726	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+ACN+H"	42.033826
"1206101"	133.480501	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+ACN+2H"	43.041102
"195688"	492.81096	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+2Na-H"	44.97116
"640722"	716.73086	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+2Na-H"	44.97116
"1138757"	268.89106	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2Na-H"	44.97116
"184969"	246.909118	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+2Na"	45.978436
"621610"	358.869068	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+2Na"	45.978436
"1126946"	134.949168	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2Na"	45.978436
"1409011"	90.3018706666667	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H+2Na"	46.985712
"1442586"	270.932646	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H+HCOOH"	47.012746
"233013"	251.94214	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+3H2O+2H"	56.04448
"1522530"	284.98469	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+IsoProp+H"	61.06479
"417472"	254.896088	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+Na+K"	61.952376
"780287"	366.856038	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+Na+K"	61.952376
"1676623"	142.936138	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Na+K"	61.952376
"264242"	511.855568	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+ACN+Na"	64.015768
"1239137"	287.935668	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+ACN+Na"	64.015768
"1726560"	287.959193	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+NH4+HCOOH"	64.039293
"1193621"	97.6291846666667	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+3Na"	68.967654
"1665348"	292.914588	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Na+HCOOH"	68.994688
"172776"	524.75884	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+2K-H"	76.91904
"612369"	748.67874	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+2K-H"	76.91904
"1097366"	300.83894	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2K-H"	76.91904
"153208"	262.883058	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"2M+2K"	77.926316
"590583"	374.843008	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"3M+2K"	77.926316
"1083246"	150.923108	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2K"	77.926316
"1113784"	302.853492	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2K+H"	78.933592
"1348828"	302.941107	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+DMSO+H"	79.021207
"1019424"	306.980276	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2ACN+H"	83.060376
"1537917"	307.973908	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+IsoProp+Na+H"	84.054008
"1002175"	153.993776	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+2ACN+2H"	84.067652
"1597773"	308.888528	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+K+HCOOH"	84.968628
"1424528"	338.920038	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+H+CF3COOH"	115.000138
"1154814"	174.507051	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+3ACN+2H"	125.094202
"1705461"	355.946585	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+NH4+CF3COOH"	132.026685
"1645485"	360.90198	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+Na+CF3COOH"	136.98208
"1581135"	376.87592	"C18767"	"236-TBA;236-Trichlorobenzoic acid"	"C7H3Cl3O2"	"223.9199"	"M+K+CF3COOH"	152.95602
"811501"	225.159	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M"	0
"981753"	206.14061	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-H2O-H"	-19.01839
"71088"	149.098724	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M-3H"	-3.021828
"508461"	224.151724	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M-3H"	-3.021828
"882982"	74.045724	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-3H"	-3.021828
"2653"	224.151724	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M-2H"	-2.014552
"442577"	336.731224	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M-2H"	-2.014552
"821109"	111.572224	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-2H"	-2.014552
"81102"	449.310724	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M-H"	-1.007276
"521756"	674.469724	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M-H"	-1.007276
"907218"	224.151724	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-H"	-1.007276
"61473"	466.337271	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M-2H+NH4"	16.019271
"500797"	691.496271	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M-2H+NH4"	16.019271
"877874"	241.178271	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-2H+NH4"	16.019271
"44923"	471.292666	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M-2H+Na"	20.974666
"484237"	696.451666	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M-2H+Na"	20.974666
"862038"	246.133666	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-2H+Na"	20.974666
"1631571"	246.133666	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Na-2H"	20.974666
"99351"	242.140063	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M-H+Cl"	33.962126
"535630"	354.719563	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M-H+Cl"	33.962126
"934614"	129.560563	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-H+Cl"	33.962126
"268799"	485.287402	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+Cl"	34.969402
"662312"	710.446402	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+Cl"	34.969402
"1279089"	260.128402	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Cl"	34.969402
"19459"	487.266606	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M-2H+K"	36.948606
"457198"	712.425606	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M-2H+K"	36.948606
"833662"	262.107606	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-2H+K"	36.948606
"1561405"	262.107606	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+K-2H"	36.948606
"946007"	270.157194	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-H+HCOOH"	44.998194
"375528"	495.316201	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+HCOOH-H"	44.998201
"360142"	509.331851	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+Hac-H"	59.013851
"1504596"	284.172851	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Hac-H"	59.013851
"971044"	292.139151	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-H+NaCOOH"	66.980151
"122141"	260.128402	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+2Cl"	69.938804
"560612"	372.707902	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+2Cl"	69.938804
"1030506"	147.548902	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2Cl"	69.938804
"1251905"	304.077885	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Br"	78.918885
"1313627"	306.133872	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Cl+HCOOH"	80.974872
"1332581"	328.115829	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Cl+NaCOOH"	102.956829
"918898"	338.144586	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M-H+CF3COOH"	112.985586
"1302905"	374.121264	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Cl+CF3COOH"	148.962264
"1382281"	190.146324	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H-2H2O"	-35.012676
"1398197"	208.1563	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H-H2O"	-17.0027
"297152"	451.325276	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+H"	1.007276
"685926"	676.484276	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+H"	1.007276
"1363736"	226.166276	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H"	1.007276
"138447"	226.166276	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+2H"	2.014552
"572175"	338.745776	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+2H"	2.014552
"1042068"	113.586776	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2H"	2.014552
"215072"	151.113276	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+3H"	3.021828
"650622"	226.166276	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+3H"	3.021828
"1176045"	76.060276	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+3H"	3.021828
"433848"	468.351823	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+NH4"	18.033823
"793021"	693.510823	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+NH4"	18.033823
"1695553"	243.192823	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+NH4"	18.033823
"342008"	234.6795495	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+H+NH4"	19.041099
"735524"	347.2590495	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+H+NH4"	19.041099
"1491786"	122.1000495	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H+NH4"	19.041099
"403663"	473.307218	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+Na"	22.989218
"765751"	698.466218	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+Na"	22.989218
"1616524"	248.148218	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Na"	22.989218
"328262"	237.157247	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+H+Na"	23.996494
"721290"	349.736747	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+H+Na"	23.996494
"1475841"	124.577747	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H+Na"	23.996494
"1068073"	83.38759	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2H+Na"	25.00377
"1272731"	258.192486	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+CH3OH+H"	33.033486
"392658"	489.281158	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+K"	38.963158
"753860"	714.440158	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+K"	38.963158
"1555222"	264.122158	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+K"	38.963158
"313649"	245.144217	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+H+K"	39.970434
"705741"	357.723717	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+H+K"	39.970434
"1460290"	132.564717	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H+K"	39.970434
"241234"	492.351826	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+ACN+H"	42.033826
"1222330"	267.192826	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+ACN+H"	42.033826
"1206211"	134.100051	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+ACN+2H"	43.041102
"195798"	495.28916	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+2Na-H"	44.97116
"641197"	720.44816	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+2Na-H"	44.97116
"1137774"	270.13016	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2Na-H"	44.97116
"185806"	248.148218	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+2Na"	45.978436
"621720"	360.727718	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+2Na"	45.978436
"1127420"	135.568718	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2Na"	45.978436
"1408391"	90.714904	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H+2Na"	46.985712
"1442330"	272.171746	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H+HCOOH"	47.012746
"233849"	253.18124	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+3H2O+2H"	56.04448
"1522273"	286.22379	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+IsoProp+H"	61.06479
"417217"	256.135188	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+Na+K"	61.952376
"778211"	368.714688	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+Na+K"	61.952376
"1674544"	143.555688	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Na+K"	61.952376
"259968"	514.333768	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+ACN+Na"	64.015768
"1237424"	289.174768	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+ACN+Na"	64.015768
"1722660"	289.198293	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+NH4+HCOOH"	64.039293
"1190569"	98.042218	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+3Na"	68.967654
"1665483"	294.153688	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Na+HCOOH"	68.994688
"172808"	527.23704	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+2K-H"	76.91904
"612569"	752.39604	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+2K-H"	76.91904
"1097597"	302.07804	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2K-H"	76.91904
"152226"	264.122158	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"2M+2K"	77.926316
"588506"	376.701658	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"3M+2K"	77.926316
"1083805"	151.542658	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2K"	77.926316
"1115231"	304.092592	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2K+H"	78.933592
"1349180"	304.180207	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+DMSO+H"	79.021207
"1017710"	308.219376	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2ACN+H"	83.060376
"1538635"	309.213008	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+IsoProp+Na+H"	84.054008
"1002285"	154.613326	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+2ACN+2H"	84.067652
"1596788"	310.127628	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+K+HCOOH"	84.968628
"1427552"	340.159138	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+H+CF3COOH"	115.000138
"1154924"	175.126601	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+3ACN+2H"	125.094202
"1705571"	357.185685	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+NH4+CF3COOH"	132.026685
"1645595"	362.14108	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+Na+CF3COOH"	136.98208
"1581245"	378.11502	"C18768"	"Terbumeton"	"C10H19N5O"	"225.159"	"M+K+CF3COOH"	152.95602
"810518"	329.1991	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M"	0
"985143"	310.18071	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-H2O-H"	-19.01839
"74478"	218.458790666667	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M-3H"	-3.021828
"508571"	328.191824	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M-3H"	-3.021828
"887464"	108.725757333333	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-3H"	-3.021828
"3857"	328.191824	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M-2H"	-2.014552
"443417"	492.791374	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M-2H"	-2.014552
"820125"	163.592274	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-2H"	-2.014552
"82305"	657.390924	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M-H"	-1.007276
"521136"	986.590024	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M-H"	-1.007276
"904046"	328.191824	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-H"	-1.007276
"57326"	674.417471	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M-2H+NH4"	16.019271
"500907"	1003.616571	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M-2H+NH4"	16.019271
"877614"	345.218371	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-2H+NH4"	16.019271
"44419"	679.372866	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M-2H+Na"	20.974666
"477781"	1008.571966	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M-2H+Na"	20.974666
"861053"	350.173766	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-2H+Na"	20.974666
"1632410"	350.173766	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Na-2H"	20.974666
"102741"	346.180163	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M-H+Cl"	33.962126
"537927"	510.779713	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M-H+Cl"	33.962126
"938004"	181.580613	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-H+Cl"	33.962126
"275469"	693.367602	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+Cl"	34.969402
"662422"	1022.566702	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+Cl"	34.969402
"1279199"	364.168502	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Cl"	34.969402
"26130"	695.346806	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M-2H+K"	36.948606
"463505"	1024.545906	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M-2H+K"	36.948606
"833526"	366.147706	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-2H+K"	36.948606
"1561515"	366.147706	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+K-2H"	36.948606
"946117"	374.197294	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-H+HCOOH"	44.998194
"376734"	703.396401	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+HCOOH-H"	44.998201
"360494"	717.412051	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+Hac-H"	59.013851
"1504708"	388.212951	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Hac-H"	59.013851
"970064"	396.179251	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-H+NaCOOH"	66.980151
"123346"	364.168502	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+2Cl"	69.938804
"560721"	528.768052	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+2Cl"	69.938804
"1029523"	199.568952	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2Cl"	69.938804
"1251287"	408.117985	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Br"	78.918885
"1316653"	410.173972	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Cl+HCOOH"	80.974872
"1330140"	432.155929	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Cl+NaCOOH"	102.956829
"920101"	442.184686	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M-H+CF3COOH"	112.985586
"1301560"	478.161364	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Cl+CF3COOH"	148.962264
"1382274"	294.186424	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H-2H2O"	-35.012676
"1394659"	312.1964	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H-H2O"	-17.0027
"296656"	659.405476	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+H"	1.007276
"686035"	988.604576	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+H"	1.007276
"1366763"	330.206376	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H"	1.007276
"136735"	330.206376	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+2H"	2.014552
"572285"	494.805926	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+2H"	2.014552
"1041085"	165.606826	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2H"	2.014552
"214453"	220.473342666667	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+3H"	3.021828
"649639"	330.206376	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+3H"	3.021828
"1176887"	110.740309333333	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+3H"	3.021828
"435417"	676.432023	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+NH4"	18.033823
"796411"	1005.631123	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+NH4"	18.033823
"1694934"	347.232923	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+NH4"	18.033823
"342848"	338.7196495	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+H+NH4"	19.041099
"734541"	503.3191995	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+H+NH4"	19.041099
"1492300"	174.1200995	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H+NH4"	19.041099
"407055"	681.387418	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+Na"	22.989218
"763675"	1010.586518	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+Na"	22.989218
"1617608"	352.188318	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Na"	22.989218
"329466"	341.197347	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+H+Na"	23.996494
"722336"	505.796897	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+H+Na"	23.996494
"1476679"	176.597797	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H+Na"	23.996494
"1066758"	118.067623333333	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2H+Na"	25.00377
"1272084"	362.232586	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+CH3OH+H"	33.033486
"390290"	697.361358	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+K"	38.963158
"753112"	1026.560458	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+K"	38.963158
"1553341"	368.162258	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+K"	38.963158
"310149"	349.184317	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+H+K"	39.970434
"704758"	513.783867	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+H+K"	39.970434
"1457485"	184.584767	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H+K"	39.970434
"242073"	700.432026	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+ACN+H"	42.033826
"1221347"	371.232926	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+ACN+H"	42.033826
"1205957"	186.120101	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+ACN+2H"	43.041102
"192629"	703.36936	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+2Na-H"	44.97116
"638755"	1032.56846	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+2Na-H"	44.97116
"1135697"	374.17026	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2Na-H"	44.97116
"183001"	352.188318	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+2Na"	45.978436
"622559"	516.787868	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+2Na"	45.978436
"1127893"	187.588768	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2Na"	45.978436
"1411417"	125.394937333333	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H+2Na"	46.985712
"1442441"	376.211846	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H+HCOOH"	47.012746
"229947"	357.22134	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+3H2O+2H"	56.04448
"1518736"	390.26389	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+IsoProp+H"	61.06479
"412953"	360.175288	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+Na+K"	61.952376
"775042"	524.774838	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+Na+K"	61.952376
"1675384"	195.575738	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Na+K"	61.952376
"257891"	722.413968	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+ACN+Na"	64.015768
"1238262"	393.214868	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+ACN+Na"	64.015768
"1722769"	393.238393	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+NH4+HCOOH"	64.039293
"1191772"	132.722251333333	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+3Na"	68.967654
"1663492"	398.193788	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Na+HCOOH"	68.994688
"172632"	735.31724	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+2K-H"	76.91904
"612683"	1064.51634	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+2K-H"	76.91904
"1097707"	406.11814	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2K-H"	76.91904
"152336"	368.162258	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"2M+2K"	77.926316
"588616"	532.761808	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"3M+2K"	77.926316
"1084146"	203.562708	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2K"	77.926316
"1114001"	408.132692	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2K+H"	78.933592
"1349290"	408.220307	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+DMSO+H"	79.021207
"1018916"	412.259476	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2ACN+H"	83.060376
"1539232"	413.253108	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+IsoProp+Na+H"	84.054008
"1002398"	206.633376	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+2ACN+2H"	84.067652
"1600178"	414.167728	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+K+HCOOH"	84.968628
"1423653"	444.199238	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+H+CF3COOH"	115.000138
"1158314"	227.146651	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+3ACN+2H"	125.094202
"1708961"	461.225785	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+NH4+CF3COOH"	132.026685
"1645705"	466.18118	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+Na+CF3COOH"	136.98208
"1581355"	482.15512	"C18769"	"Tralkoxydim"	"C20H27NO3"	"329.1991"	"M+K+CF3COOH"	152.95602
"808441"	314.1413	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M"	0
"981972"	295.12291	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-H2O-H"	-19.01839
"74588"	208.420257333333	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M-3H"	-3.021828
"508681"	313.134024	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M-3H"	-3.021828
"884295"	103.706490666667	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-3H"	-3.021828
"1780"	313.134024	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M-2H"	-2.014552
"444620"	470.204674	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M-2H"	-2.014552
"819142"	156.063374	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-2H"	-2.014552
"80228"	627.275324	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M-H"	-1.007276
"523068"	941.416624	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M-H"	-1.007276
"904156"	313.134024	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-H"	-1.007276
"57434"	644.301871	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M-2H+NH4"	16.019271
"498466"	958.443171	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M-2H+NH4"	16.019271
"875537"	330.160571	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-2H+NH4"	16.019271
"41613"	649.257266	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M-2H+Na"	20.974666
"475704"	963.398566	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M-2H+Na"	20.974666
"860070"	335.115966	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-2H+Na"	20.974666
"1630698"	335.115966	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Na-2H"	20.974666
"103944"	331.122363	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M-H+Cl"	33.962126
"538037"	488.193013	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M-H+Cl"	33.962126
"935928"	174.051713	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-H+Cl"	33.962126
"269016"	663.252002	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+Cl"	34.969402
"660627"	977.393302	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+Cl"	34.969402
"1273228"	349.110702	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Cl"	34.969402
"16395"	665.231206	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M-2H+K"	36.948606
"463615"	979.372506	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M-2H+K"	36.948606
"833395"	351.089906	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-2H+K"	36.948606
"1561625"	351.089906	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+K-2H"	36.948606
"946227"	359.139494	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-H+HCOOH"	44.998194
"376996"	673.280801	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+HCOOH-H"	44.998201
"359996"	687.296451	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+Hac-H"	59.013851
"1507006"	373.155151	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Hac-H"	59.013851
"971267"	381.121451	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-H+NaCOOH"	66.980151
"123457"	349.110702	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+2Cl"	69.938804
"562653"	506.181352	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+2Cl"	69.938804
"1029993"	192.040052	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2Cl"	69.938804
"1250300"	393.060185	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Br"	78.918885
"1316034"	395.116172	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Cl+HCOOH"	80.974872
"1330250"	417.098129	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Cl+NaCOOH"	102.956829
"921304"	427.126886	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M-H+CF3COOH"	112.985586
"1303490"	463.103564	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Cl+CF3COOH"	148.962264
"1381651"	279.128624	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H-2H2O"	-35.012676
"1395134"	297.1386	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H-H2O"	-17.0027
"296887"	629.289876	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+H"	1.007276
"686146"	943.431176	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+H"	1.007276
"1366630"	315.148576	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H"	1.007276
"137939"	315.148576	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+2H"	2.014552
"573855"	472.219226	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+2H"	2.014552
"1045568"	158.077926	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2H"	2.014552
"215656"	210.434809333333	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+3H"	3.021828
"649749"	315.148576	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+3H"	3.021828
"1176997"	105.721042666667	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+3H"	3.021828
"434070"	646.316423	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+NH4"	18.033823
"795430"	960.457723	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+NH4"	18.033823
"1693952"	332.175123	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+NH4"	18.033823
"342229"	323.6618495	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+H+NH4"	19.041099
"731368"	480.7324995	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+H+NH4"	19.041099
"1492649"	166.5911995	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H+NH4"	19.041099
"406072"	651.271818	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+Na"	22.989218
"767433"	965.413118	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+Na"	22.989218
"1617718"	337.130518	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Na"	22.989218
"329579"	326.139547	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+H+Na"	23.996494
"721878"	483.210197	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+H+Na"	23.996494
"1477000"	169.068897	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H+Na"	23.996494
"1066868"	113.048356666667	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2H+Na"	25.00377
"1271830"	347.174786	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+CH3OH+H"	33.033486
"392105"	667.245758	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+K"	38.963158
"752493"	981.387058	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+K"	38.963158
"1554910"	353.104458	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+K"	38.963158
"313175"	334.126517	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+H+K"	39.970434
"704868"	491.197167	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+H+K"	39.970434
"1457958"	177.055867	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H+K"	39.970434
"242183"	670.316426	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+ACN+H"	42.033826
"1222550"	356.175126	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+ACN+H"	42.033826
"1205338"	178.591201	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+ACN+2H"	43.041102
"194196"	673.25376	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+2Na-H"	44.97116
"641049"	987.39506	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+2Na-H"	44.97116
"1136898"	359.11246	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2Na-H"	44.97116
"183475"	337.130518	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+2Na"	45.978436
"621940"	494.201168	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+2Na"	45.978436
"1126910"	180.059868	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2Na"	45.978436
"1411528"	120.375670666667	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H+2Na"	46.985712
"1443280"	361.154046	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H+HCOOH"	47.012746
"230421"	342.16354	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+3H2O+2H"	56.04448
"1516660"	375.20609	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+IsoProp+H"	61.06479
"411970"	345.117488	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+Na+K"	61.952376
"774059"	502.188138	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+Na+K"	61.952376
"1675494"	188.046838	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Na+K"	61.952376
"258001"	692.298368	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+ACN+Na"	64.015768
"1238373"	378.157068	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+ACN+Na"	64.015768
"1720693"	378.180593	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+NH4+HCOOH"	64.039293
"1191882"	127.702984666667	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+3Na"	68.967654
"1664695"	383.135988	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Na+HCOOH"	68.994688
"172169"	705.20164	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+2K-H"	76.91904
"611972"	1019.34294	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+2K-H"	76.91904
"1094534"	391.06034	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2K-H"	76.91904
"148070"	353.104458	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"2M+2K"	77.926316
"586539"	510.175108	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"3M+2K"	77.926316
"1080898"	196.033808	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2K"	77.926316
"1114960"	393.074892	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2K+H"	78.933592
"1340652"	393.162507	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+DMSO+H"	79.021207
"1020119"	397.201676	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2ACN+H"	83.060376
"1538977"	398.195308	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+IsoProp+Na+H"	84.054008
"1003601"	199.104476	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+2ACN+2H"	84.067652
"1600288"	399.109928	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+K+HCOOH"	84.968628
"1423763"	429.141438	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+H+CF3COOH"	115.000138
"1158424"	219.617751	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+3ACN+2H"	125.094202
"1709071"	446.167985	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+NH4+CF3COOH"	132.026685
"1646908"	451.12338	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+Na+CF3COOH"	136.98208
"1581465"	467.09732	"C18770"	"Triazamate"	"C13H22N4O3S"	"314.1413"	"M+K+CF3COOH"	152.95602
"808551"	179.0946	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M"	0
"982082"	160.07621	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"74698"	118.389124	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"508791"	178.087324	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"886592"	58.690924	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"797"	178.087324	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"445823"	267.634624	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"818276"	88.540024	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"81428"	357.181924	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"522083"	536.276524	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"898062"	178.087324	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"52076"	374.208471	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"496753"	553.303071	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"873824"	195.113871	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"42452"	379.163866	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"473628"	558.258466	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"860179"	200.069266	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1631899"	200.069266	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"104054"	196.075663	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"538147"	285.622963	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"934944"	106.528363	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"269126"	393.158602	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"660697"	572.253202	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1273462"	214.064002	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"16259"	395.137806	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"457528"	574.232406	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"833303"	216.043206	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1565015"	216.043206	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"946337"	224.092794	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"374401"	403.187401	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"357920"	417.203051	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1503473"	238.108451	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"970283"	246.074751	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"121380"	214.064002	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"559846"	303.611302	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1029739"	124.516702	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1250410"	258.013485	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1316144"	260.069472	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1331453"	282.051429	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"923966"	292.080186	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1302143"	328.056864	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1381758"	144.081924	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1396337"	162.0919	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"295291"	359.196476	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"688078"	538.291076	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1366012"	180.101876	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"136222"	180.101876	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"577243"	269.649176	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1050417"	90.554576	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"211388"	120.403676	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"647672"	180.101876	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1176378"	60.705476	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"438192"	376.223023	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"795540"	555.317623	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1694669"	197.128423	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"340149"	188.6151495	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"732571"	278.1624495	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1491753"	99.0678495	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"405088"	381.178418	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"766083"	560.273018	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1616007"	202.083818	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"327866"	191.092847	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"721013"	280.640147	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1476778"	101.545547	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1063699"	68.03279	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1272184"	212.128086	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"391852"	397.152358	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"752482"	576.246958	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1548094"	218.057758	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"308549"	199.079817	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"700967"	288.627117	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1452600"	109.532517	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"241197"	400.223026	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1218285"	221.128426	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1201071"	111.067851	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"194303"	403.16036	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"635689"	582.25496	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1137008"	224.06576	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"181399"	202.083818	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"620957"	291.631118	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1126291"	112.536518	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1409451"	75.360104	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1441568"	226.107346	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"230531"	207.11684	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1511303"	240.15939	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"412080"	210.070788	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"770889"	299.618088	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1670501"	120.523488	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"254831"	422.204968	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1235929"	243.110368	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1719710"	243.133893	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1191627"	82.687418	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1663957"	248.089288	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"171305"	435.10824	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"611961"	614.20284	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1092458"	256.01364	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"144172"	218.057758	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"589930"	307.605058	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1081008"	128.510458	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1113125"	258.028192	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1339668"	258.115807	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1018042"	262.154976	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1527782"	263.148608	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"1001525"	131.581126	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1600398"	264.063228	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1426059"	294.094738	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1151973"	152.094401	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1706995"	311.121285	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1647018"	316.07668	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1581575"	332.05062	"C18771"	"XMC;35-Xylyl methylcarbamate;Cosban"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"808661"	323.1733	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M"	0
"982192"	304.15491	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-H2O-H"	-19.01839
"74808"	214.441590666667	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M-3H"	-3.021828
"508901"	322.166024	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M-3H"	-3.021828
"886702"	106.717157333333	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-3H"	-3.021828
"2363"	322.166024	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M-2H"	-2.014552
"444840"	483.752674	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M-2H"	-2.014552
"819358"	160.579374	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-2H"	-2.014552
"81903"	645.339324	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M-H"	-1.007276
"522193"	968.512624	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M-H"	-1.007276
"898657"	322.166024	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-H"	-1.007276
"53278"	662.365871	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M-2H+NH4"	16.019271
"498685"	985.539171	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M-2H+NH4"	16.019271
"872840"	339.192571	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-2H+NH4"	16.019271
"37458"	667.321266	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M-2H+Na"	20.974666
"474466"	990.494566	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M-2H+Na"	20.974666
"853726"	344.147966	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-2H+Na"	20.974666
"1628728"	344.147966	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Na-2H"	20.974666
"103071"	340.154363	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M-H+Cl"	33.962126
"538257"	501.741013	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M-H+Cl"	33.962126
"938334"	178.567713	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-H+Cl"	33.962126
"269236"	681.316002	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+Cl"	34.969402
"663845"	1004.489302	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+Cl"	34.969402
"1273452"	358.142702	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Cl"	34.969402
"16735"	683.295206	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M-2H+K"	36.948606
"457638"	1006.468506	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M-2H+K"	36.948606
"834345"	360.121906	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-2H+K"	36.948606
"1560749"	360.121906	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+K-2H"	36.948606
"943888"	368.171494	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-H+HCOOH"	44.998194
"373055"	691.344801	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+HCOOH-H"	44.998201
"358029"	705.360451	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+Hac-H"	59.013851
"1502854"	382.187151	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Hac-H"	59.013851
"969300"	390.153451	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-H+NaCOOH"	66.980151
"120396"	358.142702	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+2Cl"	69.938804
"561049"	519.729352	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+2Cl"	69.938804
"1029849"	196.556052	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2Cl"	69.938804
"1247240"	402.092185	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Br"	78.918885
"1315524"	404.148172	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Cl+HCOOH"	80.974872
"1330468"	426.130129	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Cl+NaCOOH"	102.956829
"922617"	436.158886	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M-H+CF3COOH"	112.985586
"1300424"	472.135564	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Cl+CF3COOH"	148.962264
"1380772"	288.160624	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H-2H2O"	-35.012676
"1392797"	306.1706	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H-H2O"	-17.0027
"287378"	647.353876	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+H"	1.007276
"678705"	970.527176	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+H"	1.007276
"1360889"	324.180576	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H"	1.007276
"133049"	324.180576	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+2H"	2.014552
"568235"	485.767226	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+2H"	2.014552
"1037640"	162.593926	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2H"	2.014552
"207489"	216.456142666667	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+3H"	3.021828
"649971"	324.180576	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+3H"	3.021828
"1167000"	108.731709333333	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+3H"	3.021828
"425897"	664.380423	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+NH4"	18.033823
"792361"	987.553723	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+NH4"	18.033823
"1695993"	341.207123	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+NH4"	18.033823
"343540"	332.6938495	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+H+NH4"	19.041099
"734867"	494.2804995	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+H+NH4"	19.041099
"1490892"	171.1071995	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H+NH4"	19.041099
"404107"	669.335818	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+Na"	22.989218
"765099"	992.509118	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+Na"	22.989218
"1616118"	346.162518	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Na"	22.989218
"327248"	335.171547	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+H+Na"	23.996494
"720395"	496.758197	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+H+Na"	23.996494
"1475676"	173.584897	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H+Na"	23.996494
"1067583"	116.059023333333	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2H+Na"	25.00377
"1271325"	356.206786	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+CH3OH+H"	33.033486
"392207"	685.309758	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+K"	38.963158
"750526"	1008.483058	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+K"	38.963158
"1550387"	362.136458	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+K"	38.963158
"310842"	343.158517	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+H+K"	39.970434
"697796"	504.745167	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+H+K"	39.970434
"1449425"	181.571867	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H+K"	39.970434
"240212"	688.380426	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+ACN+H"	42.033826
"1218395"	365.207126	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+ACN+H"	42.033826
"1197901"	183.107201	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+ACN+2H"	43.041102
"192956"	691.31776	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+2Na-H"	44.97116
"634706"	1014.49106	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+2Na-H"	44.97116
"1137118"	368.14446	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2Na-H"	44.97116
"180415"	346.162518	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+2Na"	45.978436
"621067"	507.749168	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+2Na"	45.978436
"1122391"	184.575868	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2Na"	45.978436
"1407009"	123.386337333333	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H+2Na"	46.985712
"1442770"	370.186046	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H+HCOOH"	47.012746
"228818"	351.19554	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+3H2O+2H"	56.04448
"1511413"	384.23809	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+IsoProp+H"	61.06479
"414376"	354.149488	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+Na+K"	61.952376
"774278"	515.736138	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+Na+K"	61.952376
"1670610"	192.562838	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Na+K"	61.952376
"254941"	710.362368	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+ACN+Na"	64.015768
"1233121"	387.189068	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+ACN+Na"	64.015768
"1717633"	387.212593	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+NH4+HCOOH"	64.039293
"1186268"	130.713651333333	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+3Na"	68.967654
"1664791"	392.167988	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Na+HCOOH"	68.994688
"171654"	723.26564	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+2K-H"	76.91904
"610971"	1046.43894	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+2K-H"	76.91904
"1090382"	400.09234	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2K-H"	76.91904
"144281"	362.136458	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"2M+2K"	77.926316
"590040"	523.723108	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"3M+2K"	77.926316
"1081118"	200.549808	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2K"	77.926316
"1112142"	402.106892	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2K+H"	78.933592
"1339778"	402.194507	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+DMSO+H"	79.021207
"1017058"	406.233676	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2ACN+H"	83.060376
"1526799"	407.227308	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+IsoProp+Na+H"	84.054008
"1004552"	203.620476	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+2ACN+2H"	84.067652
"1599415"	408.141928	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+K+HCOOH"	84.968628
"1427262"	438.173438	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+H+CF3COOH"	115.000138
"1152083"	224.133751	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+3ACN+2H"	125.094202
"1708198"	455.199985	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+NH4+CF3COOH"	132.026685
"1646035"	460.15538	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+Na+CF3COOH"	136.98208
"1581685"	476.12932	"C18772"	"Alloxydim"	"C17H25NO5"	"323.1733"	"M+K+CF3COOH"	152.95602
"808771"	114.0099	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M"	0
"987769"	94.99151	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-H2O-H"	-19.01839
"73825"	74.999324	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M-3H"	-3.021828
"514478"	113.002624	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M-3H"	-3.021828
"886812"	36.996024	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-3H"	-3.021828
"2110"	113.002624	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M-2H"	-2.014552
"442762"	170.007574	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M-2H"	-2.014552
"819470"	55.997674	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-2H"	-2.014552
"82740"	227.012524	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M-H"	-1.007276
"522302"	341.022424	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M-H"	-1.007276
"898281"	113.002624	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-H"	-1.007276
"51567"	244.039071	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M-2H+NH4"	16.019271
"498795"	358.048971	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M-2H+NH4"	16.019271
"874043"	130.029171	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-2H+NH4"	16.019271
"36475"	248.994466	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M-2H+Na"	20.974666
"474941"	363.004366	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M-2H+Na"	20.974666
"851649"	134.984566	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-2H+Na"	20.974666
"1626651"	134.984566	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Na-2H"	20.974666
"103181"	130.990963	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M-H+Cl"	33.962126
"538367"	187.995913	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M-H+Cl"	33.962126
"930787"	73.986013	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-H+Cl"	33.962126
"272626"	262.989202	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+Cl"	34.969402
"663955"	376.999102	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+Cl"	34.969402
"1274898"	148.979302	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Cl"	34.969402
"17819"	264.968406	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M-2H+K"	36.948606
"457869"	378.978306	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M-2H+K"	36.948606
"836641"	150.958506	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-2H+K"	36.948606
"1559766"	150.958506	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+K-2H"	36.948606
"946550"	159.008094	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-H+HCOOH"	44.998194
"372070"	273.018001	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+HCOOH-H"	44.998201
"357412"	287.033651	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+Hac-H"	59.013851
"1504421"	173.023751	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Hac-H"	59.013851
"969775"	180.990051	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-H+NaCOOH"	66.980151
"120505"	148.979302	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+2Cl"	69.938804
"557878"	205.984252	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+2Cl"	69.938804
"1029959"	91.974352	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2Cl"	69.938804
"1247714"	192.928785	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Br"	78.918885
"1314905"	194.984772	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Cl+HCOOH"	80.974872
"1329485"	216.966729	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Cl+NaCOOH"	102.956829
"922727"	226.995486	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M-H+CF3COOH"	112.985586
"1299441"	262.972164	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Cl+CF3COOH"	148.962264
"1380518"	78.997224	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H-2H2O"	-35.012676
"1392907"	97.0072	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H-H2O"	-17.0027
"288218"	229.027076	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+H"	1.007276
"679545"	343.036976	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+H"	1.007276
"1361729"	115.017176	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H"	1.007276
"133159"	115.017176	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+2H"	2.014552
"567252"	172.022126	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+2H"	2.014552
"1038357"	58.012226	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2H"	2.014552
"207599"	77.013876	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+3H"	3.021828
"648987"	115.017176	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+3H"	3.021828
"1164923"	39.010576	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+3H"	3.021828
"425035"	246.053623	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+NH4"	18.033823
"791378"	360.063523	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+NH4"	18.033823
"1686622"	132.043723	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+NH4"	18.033823
"334899"	123.5304495	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+H+NH4"	19.041099
"733882"	180.5353995	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+H+NH4"	19.041099
"1492458"	66.5254995	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H+NH4"	19.041099
"404945"	251.009018	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+Na"	22.989218
"764117"	365.018918	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+Na"	22.989218
"1616592"	136.999118	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Na"	22.989218
"328207"	126.008147	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+H+Na"	23.996494
"721962"	183.013097	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+H+Na"	23.996494
"1476515"	69.003197	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H+Na"	23.996494
"1068300"	46.33789	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2H+Na"	25.00377
"1272287"	147.043386	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+CH3OH+H"	33.033486
"391706"	266.982958	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+K"	38.963158
"751726"	380.992858	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+K"	38.963158
"1548310"	152.973058	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+K"	38.963158
"304391"	133.995117	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+H+K"	39.970434
"694625"	191.000067	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+H+K"	39.970434
"1449535"	76.990167	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H+K"	39.970434
"240322"	270.053626	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+ACN+H"	42.033826
"1219598"	156.043726	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+ACN+H"	42.033826
"1198011"	78.525501	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+ACN+2H"	43.041102
"194159"	272.99096	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+2Na-H"	44.97116
"634816"	387.00086	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+2Na-H"	44.97116
"1136134"	158.98106	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2Na-H"	44.97116
"178336"	136.999118	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+2Na"	45.978436
"618990"	194.004068	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+2Na"	45.978436
"1123594"	79.994168	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2Na"	45.978436
"1407119"	53.665204	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H+2Na"	46.985712
"1439965"	161.022646	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H+HCOOH"	47.012746
"227835"	142.03214	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+3H2O+2H"	56.04448
"1515896"	175.07469	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+IsoProp+H"	61.06479
"416673"	144.986088	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+Na+K"	61.952376
"774388"	201.991038	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+Na+K"	61.952376
"1675093"	87.981138	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Na+K"	61.952376
"255051"	292.035568	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+ACN+Na"	64.015768
"1229947"	178.025668	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+ACN+Na"	64.015768
"1717740"	178.049193	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+NH4+HCOOH"	64.039293
"1180906"	60.992518	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+3Na"	68.967654
"1663928"	183.004588	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Na+HCOOH"	68.994688
"171643"	304.93884	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+2K-H"	76.91904
"610350"	418.94874	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+2K-H"	76.91904
"1090492"	190.92894	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2K-H"	76.91904
"143299"	152.973058	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"2M+2K"	77.926316
"590150"	209.978008	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"3M+2K"	77.926316
"1081228"	95.968108	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2K"	77.926316
"1112252"	192.943492	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2K+H"	78.933592
"1339888"	193.031107	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+DMSO+H"	79.021207
"1013888"	197.070276	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2ACN+H"	83.060376
"1526909"	198.063908	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+IsoProp+Na+H"	84.054008
"1003447"	99.038776	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+2ACN+2H"	84.067652
"1600618"	198.978528	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+K+HCOOH"	84.968628
"1424092"	229.010038	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+H+CF3COOH"	115.000138
"1150006"	119.552051	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+3ACN+2H"	125.094202
"1707215"	246.036585	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+NH4+CF3COOH"	132.026685
"1646145"	250.99198	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+Na+CF3COOH"	136.98208
"1581795"	266.96592	"C18773"	"Ammonium sulfamate"	"NH4SO3NH2"	"114.0099"	"M+K+CF3COOH"	152.95602
"812161"	256.1212	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M"	0
"982412"	237.10281	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-H2O-H"	-19.01839
"75028"	169.740190666667	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M-3H"	-3.021828
"512401"	255.113924	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M-3H"	-3.021828
"886922"	84.3664573333333	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-3H"	-3.021828
"3677"	255.113924	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M-2H"	-2.014552
"443967"	383.174524	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M-2H"	-2.014552
"818243"	127.053324	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-2H"	-2.014552
"83942"	511.235124	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M-H"	-1.007276
"521318"	767.356324	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M-H"	-1.007276
"897660"	255.113924	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-H"	-1.007276
"49853"	528.261671	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M-2H+NH4"	16.019271
"500362"	784.382871	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M-2H+NH4"	16.019271
"875976"	272.140471	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-2H+NH4"	16.019271
"35491"	533.217066	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M-2H+Na"	20.974666
"475051"	789.338266	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M-2H+Na"	20.974666
"853943"	277.095866	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-2H+Na"	20.974666
"1626761"	277.095866	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Na-2H"	20.974666
"107665"	273.102263	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M-H+Cl"	33.962126
"548318"	401.162863	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M-H+Cl"	33.962126
"929804"	145.041663	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-H+Cl"	33.962126
"280391"	547.211802	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+Cl"	34.969402
"669531"	803.333002	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+Cl"	34.969402
"1275738"	291.090602	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Cl"	34.969402
"17563"	549.191006	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M-2H+K"	36.948606
"459310"	805.312206	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M-2H+K"	36.948606
"837481"	293.069806	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-2H+K"	36.948606
"1562061"	293.069806	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+K-2H"	36.948606
"947754"	301.119394	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-H+HCOOH"	44.998194
"371087"	557.240601	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+HCOOH-H"	44.998201
"359100"	571.256251	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+Hac-H"	59.013851
"1506354"	315.135051	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Hac-H"	59.013851
"971344"	323.101351	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-H+NaCOOH"	66.980151
"121707"	291.090602	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+2Cl"	69.938804
"561268"	419.151202	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+2Cl"	69.938804
"1028976"	163.030002	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2Cl"	69.938804
"1247460"	335.040085	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Br"	78.918885
"1315379"	337.096072	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Cl+HCOOH"	80.974872
"1329595"	359.078029	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Cl+NaCOOH"	102.956829
"919557"	369.106786	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M-H+CF3COOH"	112.985586
"1301738"	405.083464	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Cl+CF3COOH"	148.962264
"1381358"	221.108524	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H-2H2O"	-35.012676
"1393017"	239.1185	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H-H2O"	-17.0027
"290515"	513.249676	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+H"	1.007276
"681112"	769.370876	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+H"	1.007276
"1365120"	257.128476	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H"	1.007276
"134728"	257.128476	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+2H"	2.014552
"568456"	385.189076	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+2H"	2.014552
"1038952"	129.067876	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2H"	2.014552
"215365"	171.754742666667	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+3H"	3.021828
"649097"	257.128476	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+3H"	3.021828
"1165033"	86.3810093333333	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+3H"	3.021828
"430491"	530.276223	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+NH4"	18.033823
"791488"	786.397423	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+NH4"	18.033823
"1686732"	274.155023	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+NH4"	18.033823
"338289"	265.6417495	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+H+NH4"	19.041099
"730712"	393.7023495	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+H+NH4"	19.041099
"1492204"	137.5811495	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H+NH4"	19.041099
"406876"	535.231618	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+Na"	22.989218
"768603"	791.352818	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+Na"	22.989218
"1615972"	279.110418	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Na"	22.989218
"329288"	268.119447	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+H+Na"	23.996494
"722601"	396.180047	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+H+Na"	23.996494
"1476978"	140.058847	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H+Na"	23.996494
"1068334"	93.7083233333333	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2H+Na"	25.00377
"1272604"	289.154686	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+CH3OH+H"	33.033486
"389750"	551.205558	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+K"	38.963158
"751836"	807.326758	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+K"	38.963158
"1548420"	295.084358	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+K"	38.963158
"304501"	276.106417	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+H+K"	39.970434
"692911"	404.167017	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+H+K"	39.970434
"1446730"	148.045817	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H+K"	39.970434
"238245"	554.276226	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+ACN+H"	42.033826
"1220801"	298.155026	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+ACN+H"	42.033826
"1198121"	149.581151	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+ACN+2H"	43.041102
"194271"	557.21356	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+2Na-H"	44.97116
"637113"	813.33476	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+2Na-H"	44.97116
"1138430"	301.09236	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2Na-H"	44.97116
"177353"	279.110418	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+2Na"	45.978436
"622380"	407.171018	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+2Na"	45.978436
"1128076"	151.049818	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2Na"	45.978436
"1410509"	101.035637333333	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H+2Na"	46.985712
"1442626"	303.133946	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H+HCOOH"	47.012746
"232318"	284.14344	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+3H2O+2H"	56.04448
"1518192"	317.18599	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+IsoProp+H"	61.06479
"415690"	287.097388	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+Na+K"	61.952376
"774498"	415.157988	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+Na+K"	61.952376
"1675203"	159.036788	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Na+K"	61.952376
"255161"	576.258168	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+ACN+Na"	64.015768
"1230057"	320.136968	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+ACN+Na"	64.015768
"1717850"	320.160493	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+NH4+HCOOH"	64.039293
"1181016"	108.362951333333	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+3Na"	68.967654
"1665459"	325.115888	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Na+HCOOH"	68.994688
"172241"	589.16144	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+2K-H"	76.91904
"609367"	845.28264	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+2K-H"	76.91904
"1093878"	333.04024	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2K-H"	76.91904
"143405"	295.084358	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"2M+2K"	77.926316
"588073"	423.144958	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"3M+2K"	77.926316
"1081338"	167.023758	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2K"	77.926316
"1113455"	335.054792	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2K+H"	78.933592
"1339998"	335.142407	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+DMSO+H"	79.021207
"1013998"	339.181576	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2ACN+H"	83.060376
"1527748"	340.175208	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+IsoProp+Na+H"	84.054008
"1004044"	170.094426	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+2ACN+2H"	84.067652
"1600728"	341.089828	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+K+HCOOH"	84.968628
"1425295"	371.121338	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+H+CF3COOH"	115.000138
"1152303"	190.607701	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+3ACN+2H"	125.094202
"1709511"	388.147885	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+NH4+CF3COOH"	132.026685
"1647348"	393.10328	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+Na+CF3COOH"	136.98208
"1581905"	409.07722	"C18774"	"Ancymidol"	"C15H16N2O2"	"256.1212"	"M+K+CF3COOH"	152.95602
"802551"	242.9757	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M"	0
"977055"	223.95731	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-H2O-H"	-19.01839
"71858"	160.976524	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M-3H"	-3.021828
"511418"	241.968424	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M-3H"	-3.021828
"884845"	79.984624	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-3H"	-3.021828
"991"	241.968424	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M-2H"	-2.014552
"444077"	363.456274	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M-2H"	-2.014552
"819692"	120.480574	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-2H"	-2.014552
"84052"	484.944124	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M-H"	-1.007276
"522520"	727.919824	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M-H"	-1.007276
"896682"	241.968424	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-H"	-1.007276
"48868"	501.970671	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M-2H+NH4"	16.019271
"500837"	744.946371	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M-2H+NH4"	16.019271
"878272"	258.994971	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-2H+NH4"	16.019271
"35601"	506.926066	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M-2H+Na"	20.974666
"474431"	749.901766	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M-2H+Na"	20.974666
"855149"	263.950366	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-2H+Na"	20.974666
"1626871"	263.950366	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Na-2H"	20.974666
"107775"	259.956763	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M-H+Cl"	33.962126
"545148"	381.444613	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M-H+Cl"	33.962126
"935382"	138.468913	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-H+Cl"	33.962126
"281230"	520.920802	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+Cl"	34.969402
"669641"	763.896502	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+Cl"	34.969402
"1275119"	277.945102	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Cl"	34.969402
"17067"	522.900006	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M-2H+K"	36.948606
"457598"	765.875706	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M-2H+K"	36.948606
"837591"	279.924306	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-2H+K"	36.948606
"1561078"	279.924306	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+K-2H"	36.948606
"944219"	287.973894	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-H+HCOOH"	44.998194
"374110"	530.949601	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+HCOOH-H"	44.998201
"357628"	544.965251	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+Hac-H"	59.013851
"1502086"	301.989551	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Hac-H"	59.013851
"968533"	309.955851	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-H+NaCOOH"	66.980151
"122545"	277.945102	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+2Cl"	69.938804
"560285"	399.432952	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+2Cl"	69.938804
"1029086"	156.457252	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2Cl"	69.938804
"1249756"	321.894585	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Br"	78.918885
"1310381"	323.950572	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Cl+HCOOH"	80.974872
"1331891"	345.932529	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Cl+NaCOOH"	102.956829
"919667"	355.961286	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M-H+CF3COOH"	112.985586
"1301485"	391.937964	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Cl+CF3COOH"	148.962264
"1381832"	207.963024	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H-2H2O"	-35.012676
"1393127"	225.973	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H-H2O"	-17.0027
"290625"	486.958676	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+H"	1.007276
"680858"	729.934376	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+H"	1.007276
"1365594"	243.982976	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H"	1.007276
"134838"	243.982976	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+2H"	2.014552
"568565"	365.470826	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+2H"	2.014552
"1038820"	122.495126	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2H"	2.014552
"215475"	162.991076	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+3H"	3.021828
"651393"	243.982976	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+3H"	3.021828
"1166236"	81.999176	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+3H"	3.021828
"430601"	503.985223	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+NH4"	18.033823
"791597"	746.960923	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+NH4"	18.033823
"1687928"	261.009523	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+NH4"	18.033823
"338401"	252.4962495	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+H+NH4"	19.041099
"731917"	373.9840995	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+H+NH4"	19.041099
"1490492"	131.0083995	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H+NH4"	19.041099
"405892"	508.940618	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+Na"	22.989218
"765429"	751.916318	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+Na"	22.989218
"1613528"	265.964918	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Na"	22.989218
"326842"	254.973947	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+H+Na"	23.996494
"720722"	376.461797	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+H+Na"	23.996494
"1476000"	133.486097	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H+Na"	23.996494
"1065232"	89.32649	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2H+Na"	25.00377
"1271288"	276.009186	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+CH3OH+H"	33.033486
"386579"	524.914558	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+K"	38.963158
"746479"	767.890258	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+K"	38.963158
"1545250"	281.938858	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+K"	38.963158
"301330"	262.960917	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+H+K"	39.970434
"691927"	384.448767	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+H+K"	39.970434
"1445758"	141.473067	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H+K"	39.970434
"237988"	527.985226	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+ACN+H"	42.033826
"1218724"	285.009526	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+ACN+H"	42.033826
"1199325"	143.008401	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+ACN+2H"	43.041102
"192195"	530.92256	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+2Na-H"	44.97116
"636132"	773.89826	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+2Na-H"	44.97116
"1136354"	287.94686	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2Na-H"	44.97116
"178556"	265.964918	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+2Na"	45.978436
"618115"	387.452768	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+2Na"	45.978436
"1128186"	144.477068	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2Na"	45.978436
"1412441"	96.653804	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H+2Na"	46.985712
"1441641"	289.988446	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H+HCOOH"	47.012746
"231334"	270.99794	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+3H2O+2H"	56.04448
"1518301"	304.04049	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+IsoProp+H"	61.06479
"410333"	273.951888	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+Na+K"	61.952376
"773515"	395.439738	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+Na+K"	61.952376
"1670939"	152.464038	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Na+K"	61.952376
"253084"	549.967168	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+ACN+Na"	64.015768
"1226887"	306.991468	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+ACN+Na"	64.015768
"1713825"	307.014993	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+NH4+HCOOH"	64.039293
"1181123"	103.981118	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+3Na"	68.967654
"1651135"	311.970388	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Na+HCOOH"	68.994688
"157757"	562.87044	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+2K-H"	76.91904
"611663"	805.84614	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+2K-H"	76.91904
"1095082"	319.89474	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2K-H"	76.91904
"143152"	281.938858	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"2M+2K"	77.926316
"588183"	403.426708	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"3M+2K"	77.926316
"1081448"	160.451008	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2K"	77.926316
"1113565"	321.909292	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2K+H"	78.933592
"1340107"	321.996907	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+DMSO+H"	79.021207
"1018125"	326.036076	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2ACN+H"	83.060376
"1533326"	327.029708	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+IsoProp+Na+H"	84.054008
"1002696"	163.521676	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+2ACN+2H"	84.067652
"1601571"	327.944328	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+K+HCOOH"	84.968628
"1424312"	357.975838	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+H+CF3COOH"	115.000138
"1153506"	184.034951	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+3ACN+2H"	125.094202
"1709621"	375.002385	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+NH4+CF3COOH"	132.026685
"1647458"	379.95778	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+Na+CF3COOH"	136.98208
"1582015"	395.93172	"C18775"	"Benazolin"	"C9H6ClNO3S"	"242.9757"	"M+K+CF3COOH"	152.95602
"811288"	316.1569	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M"	0
"982632"	297.13851	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-H2O-H"	-19.01839
"68688"	209.763990666667	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M-3H"	-3.021828
"514445"	315.149624	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M-3H"	-3.021828
"890422"	104.378357333333	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-3H"	-3.021828
"2074"	315.149624	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M-2H"	-2.014552
"445278"	473.228074	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M-2H"	-2.014552
"819803"	157.071174	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-2H"	-2.014552
"81979"	631.306524	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M-H"	-1.007276
"522631"	947.463424	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M-H"	-1.007276
"896550"	315.149624	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-H"	-1.007276
"50072"	648.333071	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M-2H+NH4"	16.019271
"498761"	964.489971	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M-2H+NH4"	16.019271
"878022"	332.176171	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-2H+NH4"	16.019271
"44459"	653.288466	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M-2H+Na"	20.974666
"479645"	969.445366	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M-2H+Na"	20.974666
"857447"	337.131566	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-2H+Na"	20.974666
"1630262"	337.131566	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Na-2H"	20.974666
"107885"	333.137963	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M-H+Cl"	33.962126
"545258"	491.216413	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M-H+Cl"	33.962126
"935492"	175.059513	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-H+Cl"	33.962126
"280977"	667.283202	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+Cl"	34.969402
"666472"	983.440102	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+Cl"	34.969402
"1274865"	351.126302	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Cl"	34.969402
"17420"	669.262406	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M-2H+K"	36.948606
"458073"	985.419306	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M-2H+K"	36.948606
"836608"	353.105506	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-2H+K"	36.948606
"1561188"	353.105506	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+K-2H"	36.948606
"943600"	361.155094	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-H+HCOOH"	44.998194
"372762"	677.312001	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+HCOOH-H"	44.998201
"358105"	691.327651	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+Hac-H"	59.013851
"1503289"	375.170751	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Hac-H"	59.013851
"965726"	383.137051	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-H+NaCOOH"	66.980151
"120831"	351.126302	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+2Cl"	69.938804
"560395"	509.204752	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+2Cl"	69.938804
"1033206"	193.047852	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2Cl"	69.938804
"1254607"	395.075785	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Br"	78.918885
"1310491"	397.131772	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Cl+HCOOH"	80.974872
"1332729"	419.113729	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Cl+NaCOOH"	102.956829
"922693"	429.142486	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M-H+CF3COOH"	112.985586
"1301959"	465.119164	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Cl+CF3COOH"	148.962264
"1382187"	281.144224	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H-2H2O"	-35.012676
"1393237"	299.1542	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H-H2O"	-17.0027
"290735"	633.321076	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+H"	1.007276
"680968"	949.477976	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+H"	1.007276
"1358412"	317.164176	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H"	1.007276
"131301"	317.164176	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+2H"	2.014552
"569769"	475.242626	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+2H"	2.014552
"1037473"	159.085726	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2H"	2.014552
"215585"	211.778542666667	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+3H"	3.021828
"651504"	317.164176	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+3H"	3.021828
"1164160"	106.392909333333	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+3H"	3.021828
"426338"	650.347623	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+NH4"	18.033823
"790614"	966.504523	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+NH4"	18.033823
"1685852"	334.190723	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+NH4"	18.033823
"338513"	325.6774495	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+H+NH4"	19.041099
"735308"	483.7558995	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+H+NH4"	19.041099
"1491698"	167.5989995	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H+NH4"	19.041099
"406730"	655.303018	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+Na"	22.989218
"767362"	971.459918	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+Na"	22.989218
"1613637"	339.146118	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Na"	22.989218
"328047"	328.155147	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+H+Na"	23.996494
"720832"	486.233597	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+H+Na"	23.996494
"1474654"	170.076697	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H+Na"	23.996494
"1068142"	113.720223333333	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2H+Na"	25.00377
"1272499"	349.190386	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+CH3OH+H"	33.033486
"390700"	671.276958	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+K"	38.963158
"751697"	987.433858	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+K"	38.963158
"1553381"	355.120058	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+K"	38.963158
"308003"	336.142117	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+H+K"	39.970434
"693860"	494.220567	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+H+K"	39.970434
"1446950"	178.063667	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H+K"	39.970434
"240285"	674.347626	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+ACN+H"	42.033826
"1217740"	358.190726	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+ACN+H"	42.033826
"1199435"	179.599001	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+ACN+2H"	43.041102
"194490"	677.28496	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+2Na-H"	44.97116
"634053"	993.44186	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+2Na-H"	44.97116
"1136464"	361.12806	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2Na-H"	44.97116
"178666"	339.146118	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+2Na"	45.978436
"617132"	497.224568	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+2Na"	45.978436
"1128661"	181.067668	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2Na"	45.978436
"1413526"	121.047537333333	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H+2Na"	46.985712
"1443940"	363.169646	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H+HCOOH"	47.012746
"231444"	344.17914	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+3H2O+2H"	56.04448
"1520234"	377.22169	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+IsoProp+H"	61.06479
"410443"	347.133088	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+Na+K"	61.952376
"773625"	505.211538	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+Na+K"	61.952376
"1671049"	189.054638	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Na+K"	61.952376
"252829"	696.329568	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+ACN+Na"	64.015768
"1227361"	380.172668	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+ACN+Na"	64.015768
"1714789"	380.196193	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+NH4+HCOOH"	64.039293
"1180504"	128.374851333333	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+3Na"	68.967654
"1651003"	385.151588	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Na+HCOOH"	68.994688
"157625"	709.23284	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+2K-H"	76.91904
"612263"	1025.38974	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+2K-H"	76.91904
"1099206"	393.07594	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2K-H"	76.91904
"150913"	355.120058	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"2M+2K"	77.926316
"590474"	513.198508	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"3M+2K"	77.926316
"1078278"	197.041608	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2K"	77.926316
"1113676"	395.090492	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2K+H"	78.933592
"1339489"	395.178107	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+DMSO+H"	79.021207
"1019812"	399.217276	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2ACN+H"	83.060376
"1533436"	400.210908	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+IsoProp+Na+H"	84.054008
"1003171"	200.112276	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+2ACN+2H"	84.067652
"1602531"	401.125528	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+K+HCOOH"	84.968628
"1424422"	431.157038	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+H+CF3COOH"	115.000138
"1153616"	220.625551	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+3ACN+2H"	125.094202
"1708638"	448.183585	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+NH4+CF3COOH"	132.026685
"1647568"	453.13898	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+Na+CF3COOH"	136.98208
"1582125"	469.11292	"C18776"	"Bupirimate"	"C13H24N4O3S"	"316.1569"	"M+K+CF3COOH"	152.95602
"809211"	386.0088	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M"	0
"984930"	366.99041	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-H2O-H"	-19.01839
"63407"	256.331924	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M-3H"	-3.021828
"506173"	385.001524	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M-3H"	-3.021828
"881906"	127.662324	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-3H"	-3.021828
"763"	385.001524	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M-2H"	-2.014552
"444297"	578.005924	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M-2H"	-2.014552
"823191"	191.997124	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-2H"	-2.014552
"84275"	771.010324	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M-H"	-1.007276
"522376"	1157.019124	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M-H"	-1.007276
"898362"	385.001524	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-H"	-1.007276
"50549"	788.036871	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M-2H+NH4"	16.019271
"496680"	1174.045671	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M-2H+NH4"	16.019271
"867919"	402.028071	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-2H+NH4"	16.019271
"35820"	792.992266	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M-2H+Na"	20.974666
"472463"	1179.001066	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M-2H+Na"	20.974666
"857557"	406.983466	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-2H+Na"	20.974666
"1619555"	406.983466	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Na-2H"	20.974666
"103622"	402.989863	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M-H+Cl"	33.962126
"542088"	595.994263	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M-H+Cl"	33.962126
"935602"	209.985463	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-H+Cl"	33.962126
"276347"	806.987002	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+Cl"	34.969402
"664395"	1192.995802	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+Cl"	34.969402
"1272839"	420.978202	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Cl"	34.969402
"15777"	808.966206	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M-2H+K"	36.948606
"456153"	1194.975006	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M-2H+K"	36.948606
"834652"	422.957406	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-2H+K"	36.948606
"1558382"	422.957406	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+K-2H"	36.948606
"943425"	431.006994	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-H+HCOOH"	44.998194
"371777"	817.015801	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+HCOOH-H"	44.998201
"353473"	831.031451	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+Hac-H"	59.013851
"1493919"	445.022651	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Hac-H"	59.013851
"962920"	452.988951	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-H+NaCOOH"	66.980151
"118025"	420.978202	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+2Cl"	69.938804
"555035"	613.982602	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+2Cl"	69.938804
"1026385"	227.973802	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2Cl"	69.938804
"1243776"	464.927685	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Br"	78.918885
"1305491"	466.983672	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Cl+HCOOH"	80.974872
"1320435"	488.965629	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Cl+NaCOOH"	102.956829
"922803"	498.994386	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M-H+CF3COOH"	112.985586
"1299882"	534.971064	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Cl+CF3COOH"	148.962264
"1380227"	350.996124	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H-2H2O"	-35.012676
"1392983"	369.0061	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H-H2O"	-17.0027
"288658"	773.024876	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+H"	1.007276
"678892"	1159.033676	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+H"	1.007276
"1357429"	387.016076	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H"	1.007276
"128130"	387.016076	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+2H"	2.014552
"569879"	580.020476	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+2H"	2.014552
"1037948"	194.011676	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2H"	2.014552
"208765"	258.346476	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+3H"	3.021828
"645655"	387.016076	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+3H"	3.021828
"1165361"	129.676876	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+3H"	3.021828
"428628"	790.051423	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+NH4"	18.033823
"789631"	1176.060223	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+NH4"	18.033823
"1685962"	404.042623	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+NH4"	18.033823
"334238"	395.5293495	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+H+NH4"	19.041099
"731038"	588.5337495	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+H+NH4"	19.041099
"1489238"	202.5249495	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H+NH4"	19.041099
"406114"	795.006818	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+Na"	22.989218
"766742"	1181.015618	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+Na"	22.989218
"1615933"	408.998018	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Na"	22.989218
"327066"	398.007047	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+H+Na"	23.996494
"721309"	591.011447	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+H+Na"	23.996494
"1475857"	205.002647	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H+Na"	23.996494
"1067284"	137.00419	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2H+Na"	25.00377
"1271874"	419.042286	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+CH3OH+H"	33.033486
"390446"	810.980758	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+K"	38.963158
"751444"	1196.989558	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+K"	38.963158
"1553126"	424.971958	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+K"	38.963158
"304833"	405.994017	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+H+K"	39.970434
"692877"	598.998417	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+H+K"	39.970434
"1447789"	212.989617	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H+K"	39.970434
"240395"	814.051426	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+ACN+H"	42.033826
"1215661"	428.042626	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+ACN+H"	42.033826
"1202824"	214.524951	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+ACN+2H"	43.041102
"194598"	816.98876	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+2Na-H"	44.97116
"636350"	1202.99756	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+2Na-H"	44.97116
"1138760"	430.97996	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2Na-H"	44.97116
"177683"	408.998018	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+2Na"	45.978436
"620886"	602.002418	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+2Na"	45.978436
"1128406"	215.993618	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2Na"	45.978436
"1410839"	144.331504	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H+2Na"	46.985712
"1443322"	433.021546	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H+HCOOH"	47.012746
"230460"	414.03104	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+3H2O+2H"	56.04448
"1517428"	447.07359	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+IsoProp+H"	61.06479
"411646"	416.984988	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+Na+K"	61.952376
"773735"	609.989388	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+Na+K"	61.952376
"1674805"	223.980588	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Na+K"	61.952376
"255491"	836.033368	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+ACN+Na"	64.015768
"1230387"	450.024568	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+ACN+Na"	64.015768
"1720367"	450.048093	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+NH4+HCOOH"	64.039293
"1185718"	151.658818	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+3Na"	68.967654
"1654518"	455.003488	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Na+HCOOH"	68.994688
"159195"	848.93664	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+2K-H"	76.91904
"605318"	1234.94544	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+2K-H"	76.91904
"1099682"	462.92784	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2K-H"	76.91904
"147743"	424.971958	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"2M+2K"	77.926316
"586208"	617.976358	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"3M+2K"	77.926316
"1079481"	231.967558	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2K"	77.926316
"1106130"	464.942392	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2K+H"	78.933592
"1337041"	465.030007	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+DMSO+H"	79.021207
"1015420"	469.069176	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2ACN+H"	83.060376
"1533546"	470.062808	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+IsoProp+Na+H"	84.054008
"1003643"	235.038226	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+2ACN+2H"	84.067652
"1597778"	470.977428	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+K+HCOOH"	84.968628
"1421250"	501.008938	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+H+CF3COOH"	115.000138
"1149351"	255.551501	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+3ACN+2H"	125.094202
"1709841"	518.035485	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+NH4+CF3COOH"	132.026685
"1641117"	522.99088	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+Na+CF3COOH"	136.98208
"1582235"	538.96482	"C18777"	"Chlorimuron"	"C13H11ClN4O6S"	"386.0088"	"M+K+CF3COOH"	152.95602
"809321"	468.142	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M"	0
"982853"	449.12361	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-H2O-H"	-19.01839
"64171"	311.087390666667	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M-3H"	-3.021828
"506283"	467.134724	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M-3H"	-3.021828
"884082"	155.040057333333	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-3H"	-3.021828
"2656"	467.134724	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M-2H"	-2.014552
"445500"	701.205724	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M-2H"	-2.014552
"822207"	233.063724	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-2H"	-2.014552
"81104"	935.276724	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M-H"	-1.007276
"520664"	1403.418724	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M-H"	-1.007276
"899200"	467.134724	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-H"	-1.007276
"51750"	952.303271	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M-2H+NH4"	16.019271
"498976"	1420.445271	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M-2H+NH4"	16.019271
"871308"	484.161271	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-2H+NH4"	16.019271
"35930"	957.258666	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M-2H+Na"	20.974666
"472328"	1425.400666	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M-2H+Na"	20.974666
"857667"	489.116666	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-2H+Na"	20.974666
"1619418"	489.116666	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Na-2H"	20.974666
"95094"	485.123063	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M-H+Cl"	33.962126
"542198"	719.194063	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M-H+Cl"	33.962126
"935712"	251.052063	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-H+Cl"	33.962126
"276457"	971.253402	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+Cl"	34.969402
"663412"	1439.395402	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+Cl"	34.969402
"1272942"	503.111402	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Cl"	34.969402
"15901"	973.232606	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M-2H+K"	36.948606
"456102"	1441.374606	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M-2H+K"	36.948606
"833538"	505.090606	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-2H+K"	36.948606
"1556425"	505.090606	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+K-2H"	36.948606
"943210"	513.140194	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-H+HCOOH"	44.998194
"370794"	981.282201	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+HCOOH-H"	44.998201
"354676"	995.297851	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+Hac-H"	59.013851
"1495122"	527.155851	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Hac-H"	59.013851
"963394"	535.122151	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-H+NaCOOH"	66.980151
"115219"	503.111402	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+2Cl"	69.938804
"551134"	737.182402	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+2Cl"	69.938804
"1024308"	269.040402	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2Cl"	69.938804
"1241451"	547.060885	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Br"	78.918885
"1304385"	549.116872	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Cl+HCOOH"	80.974872
"1320422"	571.098829	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Cl+NaCOOH"	102.956829
"919633"	581.127586	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M-H+CF3COOH"	112.985586
"1301085"	617.104264	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Cl+CF3COOH"	148.962264
"1378878"	433.129324	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H-2H2O"	-35.012676
"1392729"	451.1393	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H-H2O"	-17.0027
"288768"	937.291276	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+H"	1.007276
"677909"	1405.433276	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+H"	1.007276
"1357175"	469.149276	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H"	1.007276
"128603"	469.149276	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+2H"	2.014552
"568167"	703.220276	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+2H"	2.014552
"1038422"	235.078276	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2H"	2.014552
"205230"	313.101942666667	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+3H"	3.021828
"646253"	469.149276	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+3H"	3.021828
"1164378"	157.054609333333	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+3H"	3.021828
"425459"	954.317823	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+NH4"	18.033823
"789741"	1422.459823	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+NH4"	18.033823
"1686072"	486.175823	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+NH4"	18.033823
"334348"	477.6625495	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+H+NH4"	19.041099
"730055"	711.7335495	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+H+NH4"	19.041099
"1487161"	243.5915495	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H+NH4"	19.041099
"407680"	959.273218	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+Na"	22.989218
"766854"	1427.415218	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+Na"	22.989218
"1614950"	491.131218	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Na"	22.989218
"327781"	480.140247	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+H+Na"	23.996494
"721056"	714.211247	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+H+Na"	23.996494
"1475970"	246.069247	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H+Na"	23.996494
"1067759"	164.381923333333	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2H+Na"	25.00377
"1272228"	501.175486	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+CH3OH+H"	33.033486
"389461"	975.247158	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+K"	38.963158
"751916"	1443.389158	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+K"	38.963158
"1553237"	507.105158	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+K"	38.963158
"304943"	488.127217	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+H+K"	39.970434
"692014"	722.198217	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+H+K"	39.970434
"1447290"	254.056217	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H+K"	39.970434
"239047"	978.317826	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+ACN+H"	42.033826
"1214675"	510.175826	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+ACN+H"	42.033826
"1199652"	255.591551	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+ACN+2H"	43.041102
"194707"	981.25516	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+2Na-H"	44.97116
"634271"	1449.39716	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+2Na-H"	44.97116
"1136684"	513.11316	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2Na-H"	44.97116
"178886"	491.131218	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+2Na"	45.978436
"619538"	725.202218	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+2Na"	45.978436
"1128883"	257.060218	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2Na"	45.978436
"1411677"	171.709237333333	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H+2Na"	46.985712
"1443429"	515.154746	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H+HCOOH"	47.012746
"229477"	496.16424	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+3H2O+2H"	56.04448
"1519726"	529.20679	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+IsoProp+H"	61.06479
"409934"	499.118188	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+Na+K"	61.952376
"777125"	733.189188	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+Na+K"	61.952376
"1671269"	265.047188	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Na+K"	61.952376
"254872"	1000.299768	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+ACN+Na"	64.015768
"1229404"	532.157768	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+ACN+Na"	64.015768
"1720477"	532.181293	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+NH4+HCOOH"	64.039293
"1186923"	179.036551333333	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+3Na"	68.967654
"1653534"	537.136688	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Na+HCOOH"	68.994688
"160399"	1013.20304	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+2K-H"	76.91904
"605428"	1481.34504	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+2K-H"	76.91904
"1099590"	545.06104	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2K-H"	76.91904
"147853"	507.105158	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"2M+2K"	77.926316
"585589"	741.176158	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"3M+2K"	77.926316
"1080684"	273.034158	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2K"	77.926316
"1104053"	547.075592	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2K+H"	78.933592
"1338002"	547.163207	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+DMSO+H"	79.021207
"1011156"	551.202376	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2ACN+H"	83.060376
"1535842"	552.196008	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+IsoProp+Na+H"	84.054008
"1002295"	276.104826	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+2ACN+2H"	84.067652
"1598981"	553.110628	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+K+HCOOH"	84.968628
"1418080"	583.142138	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+H+CF3COOH"	115.000138
"1148368"	296.618101	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+3ACN+2H"	125.094202
"1708858"	600.168685	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+NH4+CF3COOH"	132.026685
"1643413"	605.12408	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+Na+CF3COOH"	136.98208
"1582345"	621.09802	"C18778"	"8-D-Olivosyl-landomycin;Landomycin I"	"C25H24O9"	"468.142"	"M+K+CF3COOH"	152.95602
"809431"	190.9541	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M"	0
"986243"	171.93571	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-H2O-H"	-19.01839
"65740"	126.295457333333	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M-3H"	-3.021828
"509673"	189.946824	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M-3H"	-3.021828
"885285"	62.6440906666667	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-3H"	-3.021828
"1673"	189.946824	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M-2H"	-2.014552
"444517"	285.423874	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M-2H"	-2.014552
"824503"	94.469774	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-2H"	-2.014552
"82307"	380.900924	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M-H"	-1.007276
"519802"	571.855024	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M-H"	-1.007276
"897486"	189.946824	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-H"	-1.007276
"51861"	397.927471	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M-2H+NH4"	16.019271
"499086"	588.881571	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M-2H+NH4"	16.019271
"870325"	206.973371	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-2H+NH4"	16.019271
"37133"	402.882866	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M-2H+Na"	20.974666
"473412"	593.836966	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M-2H+Na"	20.974666
"857777"	211.928766	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-2H+Na"	20.974666
"1618924"	211.928766	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Na-2H"	20.974666
"94721"	207.935163	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M-H+Cl"	33.962126
"539028"	303.412213	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M-H+Cl"	33.962126
"927558"	112.458113	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-H+Cl"	33.962126
"267203"	416.877602	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+Cl"	34.969402
"660348"	607.831702	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+Cl"	34.969402
"1273118"	225.923502	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Cl"	34.969402
"15968"	418.856806	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M-2H+K"	36.948606
"456456"	609.810906	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M-2H+K"	36.948606
"833006"	227.902706	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-2H+K"	36.948606
"1557143"	227.902706	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+K-2H"	36.948606
"943932"	235.952294	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-H+HCOOH"	44.998194
"373090"	426.906401	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+HCOOH-H"	44.998201
"356973"	440.922051	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+Hac-H"	59.013851
"1495232"	249.967951	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Hac-H"	59.013851
"963868"	257.934251	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-H+NaCOOH"	66.980151
"113868"	225.923502	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+2Cl"	69.938804
"551244"	321.400552	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+2Cl"	69.938804
"1025512"	130.446452	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2Cl"	69.938804
"1241521"	269.872985	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Br"	78.918885
"1305346"	271.928972	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Cl+HCOOH"	80.974872
"1320655"	293.910929	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Cl+NaCOOH"	102.956829
"913534"	303.939686	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M-H+CF3COOH"	112.985586
"1290972"	339.916364	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Cl+CF3COOH"	148.962264
"1370226"	155.941424	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H-2H2O"	-35.012676
"1385536"	173.9514	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H-H2O"	-17.0027
"284859"	382.915476	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+H"	1.007276
"680196"	573.869576	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+H"	1.007276
"1357649"	191.961376	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H"	1.007276
"128713"	191.961376	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+2H"	2.014552
"566211"	287.438426	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+2H"	2.014552
"1037803"	96.484326	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2H"	2.014552
"207160"	128.310009333333	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+3H"	3.021828
"644333"	191.961376	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+3H"	3.021828
"1163636"	64.6586426666667	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+3H"	3.021828
"424599"	399.942023	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+NH4"	18.033823
"786929"	590.896123	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+NH4"	18.033823
"1685088"	208.987923	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+NH4"	18.033823
"333365"	200.4746495	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+H+NH4"	19.041099
"731254"	295.9516995	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+H+NH4"	19.041099
"1480703"	104.9975995	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H+NH4"	19.041099
"406332"	404.897418	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+Na"	22.989218
"767691"	595.851518	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+Na"	22.989218
"1615789"	213.943318	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Na"	22.989218
"327282"	202.952347	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+H+Na"	23.996494
"720798"	298.429397	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+H+Na"	23.996494
"1475709"	107.475297	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H+Na"	23.996494
"1066038"	71.9859566666667	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2H+Na"	25.00377
"1270634"	223.987586	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+CH3OH+H"	33.033486
"390301"	420.871358	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+K"	38.963158
"753768"	611.825458	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+K"	38.963158
"1552253"	229.917258	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+K"	38.963158
"303959"	210.939317	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+H+K"	39.970434
"692365"	306.416367	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+H+K"	39.970434
"1446914"	115.462267	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H+K"	39.970434
"240979"	423.942026	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+ACN+H"	42.033826
"1213689"	232.987926	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+ACN+H"	42.033826
"1196845"	116.997601	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+ACN+2H"	43.041102
"191172"	426.87936	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+2Na-H"	44.97116
"632192"	617.83346	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+2Na-H"	44.97116
"1136794"	235.92526	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2Na-H"	44.97116
"178996"	213.943318	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+2Na"	45.978436
"619649"	309.420368	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+2Na"	45.978436
"1123155"	118.466268	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2Na"	45.978436
"1412518"	79.3132706666667	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H+2Na"	46.985712
"1443902"	237.966846	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H+HCOOH"	47.012746
"228494"	218.97634	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+3H2O+2H"	56.04448
"1516555"	252.01889	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+IsoProp+H"	61.06479
"411137"	221.930288	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+Na+K"	61.952376
"780151"	317.407338	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+Na+K"	61.952376
"1671379"	126.453238	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Na+K"	61.952376
"254982"	445.923968	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+ACN+Na"	64.015768
"1232794"	254.969868	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+ACN+Na"	64.015768
"1720587"	254.993393	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+NH4+HCOOH"	64.039293
"1187034"	86.6405846666667	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+3Na"	68.967654
"1659112"	259.948788	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Na+HCOOH"	68.994688
"160873"	458.82724	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+2K-H"	76.91904
"605538"	649.78134	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+2K-H"	76.91904
"1090055"	267.87314	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2K-H"	76.91904
"147963"	229.917258	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"2M+2K"	77.926316
"584241"	325.394308	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"3M+2K"	77.926316
"1076417"	134.440208	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2K"	77.926316
"1104158"	269.887692	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2K+H"	78.933592
"1343823"	269.975307	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+DMSO+H"	79.021207
"1014546"	274.014476	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2ACN+H"	83.060376
"1532672"	275.008108	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+IsoProp+Na+H"	84.054008
"1004470"	137.510876	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+2ACN+2H"	84.067652
"1599091"	275.922728	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+K+HCOOH"	84.968628
"1419283"	305.954238	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+H+CF3COOH"	115.000138
"1148112"	158.024151	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+3ACN+2H"	125.094202
"1710791"	322.980785	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+NH4+CF3COOH"	132.026685
"1642430"	327.93618	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+Na+CF3COOH"	136.98208
"1582455"	343.91012	"C18779"	"Clopyralid;36-Dichloro-2-pyridinecarboxylic acid"	"C6H3Cl2NO2"	"190.9541"	"M+K+CF3COOH"	152.95602
"809541"	215.1344	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M"	0
"979793"	196.11601	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-H2O-H"	-19.01839
"65850"	142.415657333333	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M-3H"	-3.021828
"509783"	214.127124	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M-3H"	-3.021828
"887582"	70.7041906666667	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-3H"	-3.021828
"723"	214.127124	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M-2H"	-2.014552
"441344"	321.694324	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M-2H"	-2.014552
"821333"	106.559924	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-2H"	-2.014552
"82417"	429.261524	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M-H"	-1.007276
"520884"	644.395924	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M-H"	-1.007276
"900146"	214.127124	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-H"	-1.007276
"51239"	446.288071	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M-2H+NH4"	16.019271
"498832"	661.422471	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M-2H+NH4"	16.019271
"868249"	231.153671	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-2H+NH4"	16.019271
"37243"	451.243466	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M-2H+Na"	20.974666
"474615"	666.377866	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M-2H+Na"	20.974666
"849858"	236.109066	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-2H+Na"	20.974666
"1619270"	236.109066	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Na-2H"	20.974666
"94351"	232.115463	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M-H+Cl"	33.962126
"542418"	339.682663	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M-H+Cl"	33.962126
"927343"	124.548263	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-H+Cl"	33.962126
"267191"	465.238202	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+Cl"	34.969402
"660301"	680.372602	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+Cl"	34.969402
"1274086"	250.103802	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Cl"	34.969402
"17856"	467.217406	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M-2H+K"	36.948606
"456201"	682.351806	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M-2H+K"	36.948606
"834245"	252.083006	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-2H+K"	36.948606
"1555951"	252.083006	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+K-2H"	36.948606
"945135"	260.132594	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-H+HCOOH"	44.998194
"372107"	475.267001	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+HCOOH-H"	44.998201
"355990"	489.282651	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+Hac-H"	59.013851
"1494613"	274.148251	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Hac-H"	59.013851
"961425"	282.114551	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-H+NaCOOH"	66.980151
"112521"	250.103802	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+2Cl"	69.938804
"550990"	357.671002	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+2Cl"	69.938804
"1025622"	142.536602	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2Cl"	69.938804
"1241549"	294.053285	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Br"	78.918885
"1304730"	296.109272	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Cl+HCOOH"	80.974872
"1320768"	318.091229	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Cl+NaCOOH"	102.956829
"913282"	328.119986	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M-H+CF3COOH"	112.985586
"1292905"	364.096664	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Cl+CF3COOH"	148.962264
"1368884"	180.121724	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H-2H2O"	-35.012676
"1384922"	198.1317	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H-H2O"	-17.0027
"285701"	431.276076	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+H"	1.007276
"678486"	646.410476	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+H"	1.007276
"1357759"	216.141676	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H"	1.007276
"130644"	216.141676	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+2H"	2.014552
"567292"	323.708876	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+2H"	2.014552
"1038035"	108.574476	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2H"	2.014552
"206178"	144.430209333333	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+3H"	3.021828
"644254"	216.141676	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+3H"	3.021828
"1163501"	72.7187426666667	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+3H"	3.021828
"427867"	448.302623	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+NH4"	18.033823
"789954"	663.437023	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+NH4"	18.033823
"1682643"	233.168223	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+NH4"	18.033823
"333475"	224.6549495	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+H+NH4"	19.041099
"723502"	332.2221495	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+H+NH4"	19.041099
"1479719"	117.0877495	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H+NH4"	19.041099
"406073"	453.258018	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+Na"	22.989218
"768772"	668.392418	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+Na"	22.989218
"1617356"	238.123618	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Na"	22.989218
"328485"	227.132647	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+H+Na"	23.996494
"722403"	334.699847	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+H+Na"	23.996494
"1476182"	119.565447	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H+Na"	23.996494
"1067242"	80.0460566666667	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2H+Na"	25.00377
"1270742"	248.167886	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+CH3OH+H"	33.033486
"392233"	469.231958	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+K"	38.963158
"752500"	684.366358	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+K"	38.963158
"1551269"	254.097558	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+K"	38.963158
"305162"	235.119617	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+H+K"	39.970434
"691749"	342.686817	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+H+K"	39.970434
"1447022"	127.552417	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H+K"	39.970434
"239268"	472.302626	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+ACN+H"	42.033826
"1214163"	257.168226	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+ACN+H"	42.033826
"1196952"	129.087751	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+ACN+2H"	43.041102
"192374"	475.23996	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+2Na-H"	44.97116
"636675"	690.37436	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+2Na-H"	44.97116
"1136904"	260.10556	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2Na-H"	44.97116
"179106"	238.123618	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+2Na"	45.978436
"619759"	345.690818	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+2Na"	45.978436
"1123265"	130.556418	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2Na"	45.978436
"1410803"	87.3733706666667	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H+2Na"	46.985712
"1442554"	262.147146	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H+HCOOH"	47.012746
"229697"	243.15664	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+3H2O+2H"	56.04448
"1515571"	276.19919	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+IsoProp+H"	61.06479
"410883"	246.110588	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+Na+K"	61.952376
"774065"	353.677788	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+Na+K"	61.952376
"1674770"	138.543388	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Na+K"	61.952376
"262383"	494.284568	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+ACN+Na"	64.015768
"1232905"	279.150168	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+ACN+Na"	64.015768
"1725438"	279.173693	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+NH4+HCOOH"	64.039293
"1190425"	94.7006846666667	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+3Na"	68.967654
"1658130"	284.129088	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Na+HCOOH"	68.994688
"162806"	507.18784	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+2K-H"	76.91904
"603460"	722.32224	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+2K-H"	76.91904
"1090160"	292.05344	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2K-H"	76.91904
"146979"	254.097558	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"2M+2K"	77.926316
"582164"	361.664758	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"3M+2K"	77.926316
"1076528"	146.530358	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2K"	77.926316
"1113016"	294.067992	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2K+H"	78.933592
"1347214"	294.155607	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+DMSO+H"	79.021207
"1014652"	298.194776	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2ACN+H"	83.060376
"1531683"	299.188408	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+IsoProp+Na+H"	84.054008
"994855"	149.601026	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+2ACN+2H"	84.067652
"1592638"	300.103028	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+K+HCOOH"	84.968628
"1416111"	330.134538	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+H+CF3COOH"	115.000138
"1148588"	170.114301	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+3ACN+2H"	125.094202
"1707985"	347.161085	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+NH4+CF3COOH"	132.026685
"1642540"	352.11648	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+Na+CF3COOH"	136.98208
"1582565"	368.09042	"C18780"	"Cycloate"	"C11H21NOS"	"215.1344"	"M+K+CF3COOH"	152.95602
"809651"	384.2235	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M"	0
"979903"	365.20511	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-H2O-H"	-19.01839
"65960"	255.141724	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M-3H"	-3.021828
"509893"	383.216224	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M-3H"	-3.021828
"884412"	127.067224	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-3H"	-3.021828
"1521"	383.216224	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M-2H"	-2.014552
"440640"	575.327974	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M-2H"	-2.014552
"818526"	191.104474	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-2H"	-2.014552
"81434"	767.439724	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M-H"	-1.007276
"520994"	1151.663224	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M-H"	-1.007276
"896974"	383.216224	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-H"	-1.007276
"49892"	784.466271	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M-2H+NH4"	16.019271
"498578"	1168.689771	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M-2H+NH4"	16.019271
"866172"	400.242771	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-2H+NH4"	16.019271
"37353"	789.421666	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M-2H+Na"	20.974666
"471598"	1173.645166	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M-2H+Na"	20.974666
"848829"	405.198166	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-2H+Na"	20.974666
"1618511"	405.198166	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Na-2H"	20.974666
"94490"	401.204563	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M-H+Cl"	33.962126
"538155"	593.316313	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M-H+Cl"	33.962126
"927453"	209.092813	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-H+Cl"	33.962126
"267192"	803.416402	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+Cl"	34.969402
"660329"	1187.639902	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+Cl"	34.969402
"1273058"	419.192902	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Cl"	34.969402
"16260"	805.395606	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M-2H+K"	36.948606
"455741"	1189.619106	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M-2H+K"	36.948606
"833870"	421.172106	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-2H+K"	36.948606
"1556309"	421.172106	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+K-2H"	36.948606
"943541"	429.221694	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-H+HCOOH"	44.998194
"361803"	813.445201	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+HCOOH-H"	44.998201
"352820"	827.460851	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+Hac-H"	59.013851
"1494116"	443.237351	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Hac-H"	59.013851
"960079"	451.203651	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-H+NaCOOH"	66.980151
"120287"	419.192902	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+2Cl"	69.938804
"550412"	611.304652	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+2Cl"	69.938804
"1024274"	227.081152	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2Cl"	69.938804
"1241457"	463.142385	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Br"	78.918885
"1304213"	465.198372	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Cl+HCOOH"	80.974872
"1319963"	487.180329	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Cl+NaCOOH"	102.956829
"911572"	497.209086	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M-H+CF3COOH"	112.985586
"1291561"	533.185764	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Cl+CF3COOH"	148.962264
"1367414"	349.210824	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H-2H2O"	-35.012676
"1383939"	367.2208	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H-H2O"	-17.0027
"284719"	769.454276	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+H"	1.007276
"679328"	1153.677776	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+H"	1.007276
"1357869"	385.230776	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H"	1.007276
"129662"	385.230776	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+2H"	2.014552
"567403"	577.342526	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+2H"	2.014552
"1039118"	193.119026	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2H"	2.014552
"210298"	257.156276	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+3H"	3.021828
"645121"	385.230776	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+3H"	3.021828
"1164097"	129.081776	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+3H"	3.021828
"426883"	786.480823	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+NH4"	18.033823
"790064"	1170.704323	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+NH4"	18.033823
"1683481"	402.257323	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+NH4"	18.033823
"333585"	393.7440495	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+H+NH4"	19.041099
"724181"	585.8557995	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+H+NH4"	19.041099
"1477764"	201.6322995	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H+NH4"	19.041099
"405453"	791.436218	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+Na"	22.989218
"764991"	1175.659718	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+Na"	22.989218
"1616738"	407.212718	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Na"	22.989218
"326408"	396.221747	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+H+Na"	23.996494
"718825"	588.333497	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+H+Na"	23.996494
"1472643"	204.109997	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H+Na"	23.996494
"1066988"	136.40909	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2H+Na"	25.00377
"1271945"	417.256986	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+CH3OH+H"	33.033486
"391979"	807.410158	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+K"	38.963158
"752246"	1191.633658	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+K"	38.963158
"1551379"	423.186658	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+K"	38.963158
"304180"	404.208717	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+H+K"	39.970434
"691899"	596.320467	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+H+K"	39.970434
"1445672"	212.096967	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H+K"	39.970434
"237921"	810.480826	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+ACN+H"	42.033826
"1212450"	426.257326	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+ACN+H"	42.033826
"1197790"	213.632301	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+ACN+2H"	43.041102
"192119"	813.41816	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+2Na-H"	44.97116
"631682"	1197.64166	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+2Na-H"	44.97116
"1134827"	429.19466	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2Na-H"	44.97116
"173621"	407.212718	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+2Na"	45.978436
"618776"	599.324468	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+2Na"	45.978436
"1123378"	215.100968	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2Na"	45.978436
"1410183"	143.736404	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H+2Na"	46.985712
"1438655"	431.236246	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H+HCOOH"	47.012746
"223244"	412.24574	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+3H2O+2H"	56.04448
"1512400"	445.28829	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+IsoProp+H"	61.06479
"409900"	415.199688	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+Na+K"	61.952376
"776363"	607.311438	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+Na+K"	61.952376
"1668319"	223.087938	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Na+K"	61.952376
"260307"	832.462768	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+ACN+Na"	64.015768
"1233015"	448.239268	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+ACN+Na"	64.015768
"1721901"	448.262793	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+NH4+HCOOH"	64.039293
"1188348"	151.063718	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+3Na"	68.967654
"1657149"	453.218188	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Na+HCOOH"	68.994688
"164009"	845.36604	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+2K-H"	76.91904
"602477"	1229.58954	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+2K-H"	76.91904
"1090270"	461.14254	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2K-H"	76.91904
"143809"	423.186658	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"2M+2K"	77.926316
"583002"	615.298408	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"3M+2K"	77.926316
"1075544"	231.074908	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2K"	77.926316
"1107659"	463.157092	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2K+H"	78.933592
"1344043"	463.244707	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+DMSO+H"	79.021207
"1012575"	467.283876	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2ACN+H"	83.060376
"1533981"	468.277508	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+IsoProp+Na+H"	84.054008
"992777"	234.145576	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+2ACN+2H"	84.067652
"1596029"	469.192128	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+K+HCOOH"	84.968628
"1414316"	499.223638	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+H+CF3COOH"	115.000138
"1153070"	254.658851	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+3ACN+2H"	125.094202
"1708095"	516.250185	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+NH4+CF3COOH"	132.026685
"1642650"	521.20558	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+Na+CF3COOH"	136.98208
"1582675"	537.17952	"C18781"	"Diafenthiuron"	"C23H32N2OS"	"384.2235"	"M+K+CF3COOH"	152.95602
"809761"	207.0218	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M"	0
"986574"	188.00341	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-H2O-H"	-19.01839
"72630"	137.007257333333	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M-3H"	-3.021828
"513284"	206.014524	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M-3H"	-3.021828
"891084"	67.9999906666667	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-3H"	-3.021828
"3100"	206.014524	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M-2H"	-2.014552
"442658"	309.525424	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M-2H"	-2.014552
"824836"	102.503624	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-2H"	-2.014552
"80456"	413.036324	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M-H"	-1.007276
"522201"	620.058124	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M-H"	-1.007276
"897086"	206.014524	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-H"	-1.007276
"48914"	430.062871	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M-2H+NH4"	16.019271
"498688"	637.084671	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M-2H+NH4"	16.019271
"872843"	223.041071	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-2H+NH4"	16.019271
"40744"	435.018266	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M-2H+Na"	20.974666
"478117"	642.040066	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M-2H+Na"	20.974666
"849356"	227.996466	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-2H+Na"	20.974666
"1621078"	227.996466	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Na-2H"	20.974666
"94648"	224.002863	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M-H+Cl"	33.962126
"540452"	327.513763	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M-H+Cl"	33.962126
"929956"	120.491963	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-H+Cl"	33.962126
"268149"	449.013002	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+Cl"	34.969402
"669318"	656.034802	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+Cl"	34.969402
"1275158"	241.991202	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Cl"	34.969402
"17714"	450.992206	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M-2H+K"	36.948606
"458005"	658.014006	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M-2H+K"	36.948606
"834468"	243.970406	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-2H+K"	36.948606
"1558202"	243.970406	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+K-2H"	36.948606
"943896"	252.019994	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-H+HCOOH"	44.998194
"362843"	459.041801	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+HCOOH-H"	44.998201
"350010"	473.057451	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+Hac-H"	59.013851
"1494469"	266.035651	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Hac-H"	59.013851
"960917"	274.001951	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-H+NaCOOH"	66.980151
"121129"	241.991202	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+2Cl"	69.938804
"553762"	345.502102	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+2Cl"	69.938804
"1026936"	138.480302	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2Cl"	69.938804
"1245056"	285.940685	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Br"	78.918885
"1307139"	287.996672	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Cl+HCOOH"	80.974872
"1321718"	309.978629	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Cl+NaCOOH"	102.956829
"912414"	320.007386	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M-H+CF3COOH"	112.985586
"1292037"	355.984064	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Cl+CF3COOH"	148.962264
"1371292"	172.009124	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H-2H2O"	-35.012676
"1385872"	190.0191	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H-H2O"	-17.0027
"287016"	415.050876	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+H"	1.007276
"680531"	622.072676	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+H"	1.007276
"1356886"	208.029076	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H"	1.007276
"127587"	208.029076	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+2H"	2.014552
"567272"	311.539976	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+2H"	2.014552
"1040321"	104.518176	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2H"	2.014552
"207130"	139.021809333333	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+3H"	3.021828
"646814"	208.029076	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+3H"	3.021828
"1164208"	70.0145426666667	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+3H"	3.021828
"428089"	432.077423	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+NH4"	18.033823
"789082"	639.099223	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+NH4"	18.033823
"1685414"	225.055623	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+NH4"	18.033823
"334781"	216.5423495	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+H+NH4"	19.041099
"728297"	320.0532495	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+H+NH4"	19.041099
"1479940"	113.0314495	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H+NH4"	19.041099
"405927"	437.032818	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+Na"	22.989218
"764008"	644.054618	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+Na"	22.989218
"1614291"	230.011018	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Na"	22.989218
"326515"	219.020047	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+H+Na"	23.996494
"719663"	322.530947	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+H+Na"	23.996494
"1472753"	115.509147	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H+Na"	23.996494
"1066367"	77.3418566666667	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2H+Na"	25.00377
"1270599"	240.055286	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+CH3OH+H"	33.033486
"391725"	453.006758	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+K"	38.963158
"752721"	660.028558	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+K"	38.963158
"1552583"	245.984958	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+K"	38.963158
"304292"	227.007017	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+H+K"	39.970434
"696710"	330.517917	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+H+K"	39.970434
"1447248"	123.496117	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H+K"	39.970434
"235750"	456.077426	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+ACN+H"	42.033826
"1211106"	249.055626	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+ACN+H"	42.033826
"1196811"	125.031451	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+ACN+2H"	43.041102
"190775"	459.01476	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+2Na-H"	44.97116
"630335"	666.03656	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+2Na-H"	44.97116
"1134937"	251.99296	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2Na-H"	44.97116
"175315"	230.011018	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+2Na"	45.978436
"618886"	333.521918	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+2Na"	45.978436
"1118019"	126.500118	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2Na"	45.978436
"1408107"	84.6691706666667	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H+2Na"	46.985712
"1435846"	254.034546	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H+HCOOH"	47.012746
"225542"	235.04404	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+3H2O+2H"	56.04448
"1511417"	268.08659	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+IsoProp+H"	61.06479
"410250"	237.997988	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+Na+K"	61.952376
"773194"	341.508888	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+Na+K"	61.952376
"1668429"	134.487088	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Na+K"	61.952376
"260417"	478.059368	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+ACN+Na"	64.015768
"1229846"	271.037568	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+ACN+Na"	64.015768
"1720917"	271.061093	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+NH4+HCOOH"	64.039293
"1184085"	91.9964846666667	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+3Na"	68.967654
"1653979"	276.016488	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Na+HCOOH"	68.994688
"160839"	490.96264	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+2K-H"	76.91904
"602589"	697.98444	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+2K-H"	76.91904
"1088194"	283.94084	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2K-H"	76.91904
"146106"	245.984958	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"2M+2K"	77.926316
"585300"	349.495858	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"3M+2K"	77.926316
"1076748"	142.474058	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2K"	77.926316
"1107769"	285.955392	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2K+H"	78.933592
"1344153"	286.043007	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+DMSO+H"	79.021207
"1011592"	290.082176	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2ACN+H"	83.060376
"1529717"	291.075808	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+IsoProp+Na+H"	84.054008
"995074"	145.544726	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+2ACN+2H"	84.067652
"1596139"	291.990428	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+K+HCOOH"	84.968628
"1420706"	322.021938	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+H+CF3COOH"	115.000138
"1154274"	166.058001	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+3ACN+2H"	125.094202
"1703825"	339.048485	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+NH4+CF3COOH"	132.026685
"1643853"	344.00388	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+Na+CF3COOH"	136.98208
"1582785"	359.97782	"C18782"	"Dichlormid"	"C8H11Cl2NO"	"207.0218"	"M+K+CF3COOH"	152.95602
"809871"	338.1146	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M"	0
"980123"	319.09621	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-H2O-H"	-19.01839
"72739"	224.402457333333	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M-3H"	-3.021828
"510114"	337.107324	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M-3H"	-3.021828
"887913"	111.697590666667	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-3H"	-3.021828
"653"	337.107324	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M-2H"	-2.014552
"440945"	506.164624	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M-2H"	-2.014552
"824945"	168.050024	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-2H"	-2.014552
"81659"	675.221924	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M-H"	-1.007276
"525589"	1013.336524	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M-H"	-1.007276
"896954"	337.107324	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-H"	-1.007276
"49266"	692.248471	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M-2H+NH4"	16.019271
"499162"	1030.363071	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M-2H+NH4"	16.019271
"870767"	354.133871	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-2H+NH4"	16.019271
"39761"	697.203866	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M-2H+Na"	20.974666
"478227"	1035.318466	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M-2H+Na"	20.974666
"849830"	359.089266	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-2H+Na"	20.974666
"1621188"	359.089266	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Na-2H"	20.974666
"96624"	355.095663	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M-H+Cl"	33.962126
"540562"	524.152963	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M-H+Cl"	33.962126
"927757"	186.038363	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-H+Cl"	33.962126
"268623"	711.198602	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+Cl"	34.969402
"667241"	1049.313202	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+Cl"	34.969402
"1273120"	373.084002	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Cl"	34.969402
"17217"	713.177806	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M-2H+K"	36.948606
"456657"	1051.292406	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M-2H+K"	36.948606
"834093"	375.063206	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-2H+K"	36.948606
"1563051"	375.063206	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+K-2H"	36.948606
"947654"	383.112794	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-H+HCOOH"	44.998194
"362589"	721.227401	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+HCOOH-H"	44.998201
"349392"	735.243051	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+Hac-H"	59.013851
"1494579"	397.128451	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Hac-H"	59.013851
"960663"	405.094751	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-H+NaCOOH"	66.980151
"119053"	373.084002	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+2Cl"	69.938804
"554239"	542.141302	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+2Cl"	69.938804
"1027410"	204.026702	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2Cl"	69.938804
"1244072"	417.033485	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Br"	78.918885
"1306519"	419.089472	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Cl+HCOOH"	80.974872
"1321830"	441.071429	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Cl+NaCOOH"	102.956829
"914346"	451.100186	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M-H+CF3COOH"	112.985586
"1289594"	487.076864	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Cl+CF3COOH"	148.962264
"1368851"	303.101924	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H-2H2O"	-35.012676
"1384160"	321.1119	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H-H2O"	-17.0027
"285307"	677.236476	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+H"	1.007276
"679185"	1015.351076	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+H"	1.007276
"1353711"	339.121876	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H"	1.007276
"128425"	339.121876	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+2H"	2.014552
"570541"	508.179176	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+2H"	2.014552
"1041524"	170.064576	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2H"	2.014552
"209426"	226.417009333333	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+3H"	3.021828
"645709"	339.121876	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+3H"	3.021828
"1166021"	113.712142666667	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+3H"	3.021828
"428199"	694.263023	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+NH4"	18.033823
"786400"	1032.377623	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+NH4"	18.033823
"1687710"	356.148423	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+NH4"	18.033823
"331614"	347.6351495	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+H+NH4"	19.041099
"727313"	516.6924495	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+H+NH4"	19.041099
"1480050"	178.5778495	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H+NH4"	19.041099
"406036"	699.218418	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+Na"	22.989218
"765211"	1037.333018	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+Na"	22.989218
"1616587"	361.103818	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Na"	22.989218
"327718"	350.112847	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+H+Na"	23.996494
"720015"	519.170147	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+H+Na"	23.996494
"1475901"	181.055547	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H+Na"	23.996494
"1068057"	121.039456666667	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2H+Na"	25.00377
"1271440"	371.148086	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+CH3OH+H"	33.033486
"391353"	715.192358	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+K"	38.963158
"751741"	1053.306958	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+K"	38.963158
"1552693"	377.077758	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+K"	38.963158
"306589"	358.099817	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+H+K"	39.970434
"699007"	527.157117	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+H+K"	39.970434
"1447724"	189.042517	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H+K"	39.970434
"236688"	718.263026	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+ACN+H"	42.033826
"1210851"	380.148426	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+ACN+H"	42.033826
"1197285"	190.577851	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+ACN+2H"	43.041102
"191978"	721.20036	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+2Na-H"	44.97116
"630447"	1059.31496	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+2Na-H"	44.97116
"1135051"	383.08576	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2Na-H"	44.97116
"177248"	361.103818	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+2Na"	45.978436
"618996"	530.161118	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+2Na"	45.978436
"1119222"	192.046518	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2Na"	45.978436
"1407122"	128.366770666667	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H+2Na"	46.985712
"1434863"	385.127346	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H+HCOOH"	47.012746
"224560"	366.13684	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+3H2O+2H"	56.04448
"1509462"	399.17939	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+IsoProp+H"	61.06479
"410123"	369.090788	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+Na+K"	61.952376
"770145"	538.148088	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+Na+K"	61.952376
"1667447"	200.033488	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Na+K"	61.952376
"257248"	740.244968	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+ACN+Na"	64.015768
"1235425"	402.130368	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+ACN+Na"	64.015768
"1721030"	402.153893	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+NH4+HCOOH"	64.039293
"1187478"	135.694084666667	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+3Na"	68.967654
"1654089"	407.109288	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Na+HCOOH"	68.994688
"160952"	753.14824	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+2K-H"	76.91904
"604887"	1091.26284	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+2K-H"	76.91904
"1095960"	415.03364	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2K-H"	76.91904
"151683"	377.077758	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"2M+2K"	77.926316
"586870"	546.135058	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"3M+2K"	77.926316
"1076858"	208.020458	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2K"	77.926316
"1107879"	417.048192	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2K+H"	78.933592
"1340984"	417.135807	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+DMSO+H"	79.021207
"1017170"	421.174976	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2ACN+H"	83.060376
"1535296"	422.168608	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+IsoProp+Na+H"	84.054008
"997372"	211.091126	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+2ACN+2H"	84.067652
"1594063"	423.083228	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+K+HCOOH"	84.968628
"1420816"	453.114738	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+H+CF3COOH"	115.000138
"1152199"	231.604401	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+3ACN+2H"	125.094202
"1707218"	470.141285	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+NH4+CF3COOH"	132.026685
"1643963"	475.09668	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+Na+CF3COOH"	136.98208
"1582895"	491.07062	"C18783"	"Dimefuron"	"C15H19ClN4O3"	"338.1146"	"M+K+CF3COOH"	152.95602
"813265"	209.1528	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M"	0
"987888"	190.13441	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-H2O-H"	-19.01839
"76129"	138.427924	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M-3H"	-3.021828
"510224"	208.145524	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M-3H"	-3.021828
"890210"	68.710324	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-3H"	-3.021828
"4410"	208.145524	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M-2H"	-2.014552
"448345"	312.721924	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M-2H"	-2.014552
"821773"	103.569124	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-2H"	-2.014552
"86139"	417.298324	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M-H"	-1.007276
"523512"	626.451124	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M-H"	-1.007276
"901317"	208.145524	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-H"	-1.007276
"52413"	434.324871	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M-2H+NH4"	16.019271
"494168"	643.477671	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M-2H+NH4"	16.019271
"874157"	225.172071	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-2H+NH4"	16.019271
"38778"	439.280266	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M-2H+Na"	20.974666
"480524"	648.433066	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M-2H+Na"	20.974666
"850304"	230.127466	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-2H+Na"	20.974666
"1625672"	230.127466	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Na-2H"	20.974666
"100014"	226.133863	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M-H+Cl"	33.962126
"536297"	330.710263	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M-H+Cl"	33.962126
"928474"	121.557463	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-H+Cl"	33.962126
"268122"	453.275002	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+Cl"	34.969402
"667351"	662.427802	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+Cl"	34.969402
"1274771"	244.122202	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Cl"	34.969402
"17568"	455.254206	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M-2H+K"	36.948606
"456888"	664.407006	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M-2H+K"	36.948606
"836391"	246.101406	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-2H+K"	36.948606
"1563161"	246.101406	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+K-2H"	36.948606
"947764"	254.150994	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-H+HCOOH"	44.998194
"363430"	463.303801	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+HCOOH-H"	44.998201
"349866"	477.319451	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+Hac-H"	59.013851
"1494689"	268.166651	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Hac-H"	59.013851
"961501"	276.132951	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-H+NaCOOH"	66.980151
"119526"	244.122202	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+2Cl"	69.938804
"556901"	348.698602	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+2Cl"	69.938804
"1025701"	139.545802	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2Cl"	69.938804
"1246370"	288.071685	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Br"	78.918885
"1306630"	290.127672	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Cl+HCOOH"	80.974872
"1321940"	312.109629	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Cl+NaCOOH"	102.956829
"912997"	322.138386	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M-H+CF3COOH"	112.985586
"1290070"	358.115064	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Cl+CF3COOH"	148.962264
"1369690"	174.140124	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H-2H2O"	-35.012676
"1386092"	192.1501	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H-H2O"	-17.0027
"286145"	419.312876	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+H"	1.007276
"679660"	628.465676	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+H"	1.007276
"1356007"	210.160076	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H"	1.007276
"127806"	210.160076	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+2H"	2.014552
"572837"	314.736476	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+2H"	2.014552
"1040541"	105.583676	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2H"	2.014552
"209536"	140.442476	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+3H"	3.021828
"648005"	210.160076	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+3H"	3.021828
"1167224"	70.724876	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+3H"	3.021828
"430495"	436.339423	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+NH4"	18.033823
"788212"	645.492223	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+NH4"	18.033823
"1687820"	227.186623	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+NH4"	18.033823
"336096"	218.6733495	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+H+NH4"	19.041099
"729609"	323.2497495	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+H+NH4"	19.041099
"1480160"	114.0969495	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H+NH4"	19.041099
"405050"	441.294818	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+Na"	22.989218
"764220"	650.447618	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+Na"	22.989218
"1616694"	232.142018	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Na"	22.989218
"328921"	221.151047	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+H+Na"	23.996494
"721705"	325.727447	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+H+Na"	23.996494
"1476253"	116.574647	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H+Na"	23.996494
"1068048"	78.05219	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2H+Na"	25.00377
"1270096"	242.186286	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+CH3OH+H"	33.033486
"392312"	457.268758	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+K"	38.963158
"751842"	666.421558	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+K"	38.963158
"1554629"	248.115958	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+K"	38.963158
"306697"	229.138017	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+H+K"	39.970434
"701304"	333.714417	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+H+K"	39.970434
"1449656"	124.561617	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H+K"	39.970434
"238254"	460.339426	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+ACN+H"	42.033826
"1213148"	251.186626	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+ACN+H"	42.033826
"1197031"	126.096951	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+ACN+2H"	43.041102
"190996"	463.27676	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+2Na-H"	44.97116
"632014"	672.42956	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+2Na-H"	44.97116
"1140627"	254.12396	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2Na-H"	44.97116
"180638"	232.142018	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+2Na"	45.978436
"616916"	336.718418	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+2Na"	45.978436
"1123704"	127.565618	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2Na"	45.978436
"1408326"	85.379504	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H+2Na"	46.985712
"1438253"	256.165546	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H+HCOOH"	47.012746
"227950"	237.17504	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+3H2O+2H"	56.04448
"1516011"	270.21759	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+IsoProp+H"	61.06479
"410233"	240.128988	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+Na+K"	61.952376
"773414"	344.705388	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+Na+K"	61.952376
"1670837"	135.552588	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Na+K"	61.952376
"258451"	482.321368	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+ACN+Na"	64.015768
"1239546"	273.168568	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+ACN+Na"	64.015768
"1721140"	273.192093	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+NH4+HCOOH"	64.039293
"1184307"	92.706818	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+3Na"	68.967654
"1655293"	278.147488	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Na+HCOOH"	68.994688
"164342"	495.22464	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+2K-H"	76.91904
"604997"	704.37744	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+2K-H"	76.91904
"1097163"	286.07184	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2K-H"	76.91904
"155073"	248.115958	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"2M+2K"	77.926316
"586980"	352.692358	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"3M+2K"	77.926316
"1081342"	143.539558	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2K"	77.926316
"1111269"	288.086392	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2K+H"	78.933592
"1344374"	288.174007	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+DMSO+H"	79.021207
"1017280"	292.213176	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2ACN+H"	83.060376
"1534313"	293.206808	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+IsoProp+Na+H"	84.054008
"997482"	146.610226	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+2ACN+2H"	84.067652
"1594172"	294.121428	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+K+HCOOH"	84.968628
"1423113"	324.152938	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+H+CF3COOH"	115.000138
"1152309"	167.123501	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+3ACN+2H"	125.094202
"1706234"	341.179485	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+NH4+CF3COOH"	132.026685
"1644073"	346.13488	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+Na+CF3COOH"	136.98208
"1583005"	362.10882	"C18784"	"Dimethirimol"	"C11H19N3O"	"209.1528"	"M+K+CF3COOH"	152.95602
"810091"	322.0889	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M"	0
"986904"	303.07051	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-H2O-H"	-19.01839
"66400"	213.718657333333	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M-3H"	-3.021828
"513613"	321.081624	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M-3H"	-3.021828
"890319"	106.355690666667	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-3H"	-3.021828
"1240"	321.081624	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M-2H"	-2.014552
"449549"	482.126074	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M-2H"	-2.014552
"822979"	160.037174	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-2H"	-2.014552
"81876"	643.170524	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M-H"	-1.007276
"522529"	965.259424	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M-H"	-1.007276
"902523"	321.081624	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-H"	-1.007276
"53616"	660.197071	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M-2H+NH4"	16.019271
"495370"	982.285971	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M-2H+NH4"	16.019271
"867705"	338.108171	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-2H+NH4"	16.019271
"43993"	665.152466	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M-2H+Na"	20.974666
"478448"	987.241366	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M-2H+Na"	20.974666
"856250"	343.063566	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-2H+Na"	20.974666
"1623596"	343.063566	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Na-2H"	20.974666
"96845"	339.069963	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M-H+Cl"	33.962126
"535796"	500.114413	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M-H+Cl"	33.962126
"932108"	178.025513	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-H+Cl"	33.962126
"270665"	679.147202	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+Cl"	34.969402
"664180"	1001.236102	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+Cl"	34.969402
"1279867"	357.058302	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Cl"	34.969402
"24609"	681.126406	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M-2H+K"	36.948606
"463077"	1003.215306	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M-2H+K"	36.948606
"840879"	359.037506	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-2H+K"	36.948606
"1559991"	359.037506	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+K-2H"	36.948606
"944229"	367.087094	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-H+HCOOH"	44.998194
"362083"	689.176001	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+HCOOH-H"	44.998201
"347790"	703.191651	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+Hac-H"	59.013851
"1495163"	381.102751	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Hac-H"	59.013851
"966353"	389.069051	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-H+NaCOOH"	66.980151
"115260"	357.058302	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+2Cl"	69.938804
"558104"	518.102752	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+2Cl"	69.938804
"1026904"	196.013852	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2Cl"	69.938804
"1247573"	401.007785	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Br"	78.918885
"1308564"	403.063772	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Cl+HCOOH"	80.974872
"1321686"	425.045729	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Cl+NaCOOH"	102.956829
"914197"	435.074486	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M-H+CF3COOH"	112.985586
"1293099"	471.051164	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Cl+CF3COOH"	148.962264
"1369801"	287.076224	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H-2H2O"	-35.012676
"1385841"	305.0862	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H-H2O"	-17.0027
"284797"	645.185076	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+H"	1.007276
"678679"	967.273976	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+H"	1.007276
"1358307"	323.096176	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H"	1.007276
"130102"	323.096176	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+2H"	2.014552
"574040"	484.140626	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+2H"	2.014552
"1045028"	162.051726	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2H"	2.014552
"210742"	215.733209333333	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+3H"	3.021828
"647023"	323.096176	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+3H"	3.021828
"1164298"	108.370242666667	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+3H"	3.021828
"426232"	662.211623	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+NH4"	18.033823
"788321"	984.300523	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+NH4"	18.033823
"1685746"	340.122723	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+NH4"	18.033823
"335114"	331.6094495	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+H+NH4"	19.041099
"726077"	492.6538995	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+H+NH4"	19.041099
"1486831"	170.5649995	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H+NH4"	19.041099
"401146"	667.167018	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+Na"	22.989218
"762144"	989.255918	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+Na"	22.989218
"1616812"	345.078118	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Na"	22.989218
"325752"	334.087147	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+H+Na"	23.996494
"717080"	495.131597	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+H+Na"	23.996494
"1474184"	173.042697	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H+Na"	23.996494
"1065243"	115.697556666667	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2H+Na"	25.00377
"1268019"	355.122386	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+CH3OH+H"	33.033486
"390233"	683.140958	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+K"	38.963158
"753413"	1005.229858	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+K"	38.963158
"1554374"	361.052058	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+K"	38.963158
"311912"	342.074117	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+H+K"	39.970434
"700324"	503.118567	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+H+K"	39.970434
"1449768"	181.029667	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H+K"	39.970434
"238731"	686.211626	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+ACN+H"	42.033826
"1214356"	364.122726	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+ACN+H"	42.033826
"1199333"	182.565001	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+ACN+2H"	43.041102
"190014"	689.14896	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+2Na-H"	44.97116
"630669"	1011.23786	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+2Na-H"	44.97116
"1137456"	367.06006	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2Na-H"	44.97116
"180752"	345.078118	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+2Na"	45.978436
"623594"	506.122568	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+2Na"	45.978436
"1127099"	184.033668	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2Na"	45.978436
"1405155"	123.024870666667	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H+2Na"	46.985712
"1438367"	369.101646	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H+HCOOH"	47.012746
"221134"	350.11114	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+3H2O+2H"	56.04448
"1512843"	383.15369	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+IsoProp+H"	61.06479
"410464"	353.065088	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+Na+K"	61.952376
"771701"	514.109538	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+Na+K"	61.952376
"1666937"	192.020638	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Na+K"	61.952376
"255641"	708.193568	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+ACN+Na"	64.015768
"1229083"	386.104668	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+ACN+Na"	64.015768
"1717970"	386.128193	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+NH4+HCOOH"	64.039293
"1184418"	130.352184666667	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+3Na"	68.967654
"1656497"	391.083588	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Na+HCOOH"	68.994688
"169921"	721.09684	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+2K-H"	76.91904
"608388"	1043.18574	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+2K-H"	76.91904
"1087432"	399.00794	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2K-H"	76.91904
"146436"	361.052058	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"2M+2K"	77.926316
"588184"	522.096508	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"3M+2K"	77.926316
"1082545"	200.007608	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2K"	77.926316
"1111379"	401.022492	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2K+H"	78.933592
"1347766"	401.110107	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+DMSO+H"	79.021207
"1014113"	405.149276	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2ACN+H"	83.060376
"1532238"	406.142908	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+IsoProp+Na+H"	84.054008
"998688"	203.078276	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+2ACN+2H"	84.067652
"1594283"	407.057528	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+K+HCOOH"	84.968628
"1425410"	437.089038	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+H+CF3COOH"	115.000138
"1154605"	223.591551	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+3ACN+2H"	125.094202
"1705251"	454.115585	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+NH4+CF3COOH"	132.026685
"1646369"	459.07098	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+Na+CF3COOH"	136.98208
"1583115"	475.04492	"C18785"	"Dinitramine"	"C11H13F3N4O4"	"322.0889"	"M+K+CF3COOH"	152.95602
"810201"	281.2719	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M"	0
"987014"	262.25351	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-H2O-H"	-19.01839
"70882"	186.507324	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M-3H"	-3.021828
"508255"	280.264624	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M-3H"	-3.021828
"886056"	92.750024	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-3H"	-3.021828
"1350"	280.264624	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M-2H"	-2.014552
"446379"	420.900574	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M-2H"	-2.014552
"824182"	139.628674	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-2H"	-2.014552
"81986"	561.536524	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M-H"	-1.007276
"522639"	842.808424	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M-H"	-1.007276
"900445"	280.264624	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-H"	-1.007276
"54817"	578.563071	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M-2H+NH4"	16.019271
"488919"	859.834971	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M-2H+NH4"	16.019271
"867815"	297.291171	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-2H+NH4"	16.019271
"40092"	583.518466	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M-2H+Na"	20.974666
"474184"	864.790366	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M-2H+Na"	20.974666
"853079"	302.246566	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-2H+Na"	20.974666
"1623706"	302.246566	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Na-2H"	20.974666
"94890"	298.252963	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M-H+Cl"	33.962126
"535785"	438.888913	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M-H+Cl"	33.962126
"932217"	157.617013	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-H+Cl"	33.962126
"271139"	597.513202	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+Cl"	34.969402
"664290"	878.785102	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+Cl"	34.969402
"1278518"	316.241302	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Cl"	34.969402
"22167"	599.492406	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M-2H+K"	36.948606
"458083"	880.764306	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M-2H+K"	36.948606
"835519"	318.220506	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-2H+K"	36.948606
"1560099"	318.220506	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+K-2H"	36.948606
"945067"	326.270094	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-H+HCOOH"	44.998194
"362920"	607.542001	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+HCOOH-H"	44.998201
"346805"	621.557651	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+Hac-H"	59.013851
"1495273"	340.285751	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Hac-H"	59.013851
"960994"	348.252051	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-H+NaCOOH"	66.980151
"115370"	316.241302	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+2Cl"	69.938804
"558214"	456.877252	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+2Cl"	69.938804
"1027013"	175.605352	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2Cl"	69.938804
"1246591"	360.190785	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Br"	78.918885
"1307581"	362.246772	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Cl+HCOOH"	80.974872
"1322160"	384.228729	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Cl+NaCOOH"	102.956829
"913215"	394.257486	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M-H+CF3COOH"	112.985586
"1291022"	430.234164	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Cl+CF3COOH"	148.962264
"1371005"	246.259224	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H-2H2O"	-35.012676
"1385223"	264.2692	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H-H2O"	-17.0027
"286729"	563.551076	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+H"	1.007276
"678789"	844.822976	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+H"	1.007276
"1359510"	282.279176	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H"	1.007276
"130212"	282.279176	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+2H"	2.014552
"574150"	422.915126	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+2H"	2.014552
"1045137"	141.643226	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2H"	2.014552
"213038"	188.521876	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+3H"	3.021828
"647132"	282.279176	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+3H"	3.021828
"1166352"	94.764576	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+3H"	3.021828
"426342"	580.577623	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+NH4"	18.033823
"787338"	861.849523	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+NH4"	18.033823
"1683670"	299.305723	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+NH4"	18.033823
"331945"	290.7924495	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+H+NH4"	19.041099
"724367"	431.4283995	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+H+NH4"	19.041099
"1485848"	150.1564995	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H+NH4"	19.041099
"403442"	585.533018	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+Na"	22.989218
"763348"	866.804918	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+Na"	22.989218
"1614725"	304.261118	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Na"	22.989218
"325861"	293.270147	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+H+Na"	23.996494
"720105"	433.906097	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+H+Na"	23.996494
"1475385"	152.634197	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H+Na"	23.996494
"1065718"	102.09189	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2H+Na"	25.00377
"1271045"	314.305386	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+CH3OH+H"	33.033486
"390707"	601.506958	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+K"	38.963158
"753523"	882.778858	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+K"	38.963158
"1555415"	320.235058	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+K"	38.963158
"312022"	301.257117	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+H+K"	39.970434
"702620"	441.893067	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+H+K"	39.970434
"1450971"	160.621167	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H+K"	39.970434
"240663"	604.577626	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+ACN+H"	42.033826
"1216652"	323.305726	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+ACN+H"	42.033826
"1202722"	162.156501	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+ACN+2H"	43.041102
"190124"	607.51496	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+2Na-H"	44.97116
"630778"	888.78686	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+2Na-H"	44.97116
"1138659"	326.24306	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2Na-H"	44.97116
"184870"	304.261118	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+2Na"	45.978436
"626984"	444.897068	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+2Na"	45.978436
"1127209"	163.625168	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2Na"	45.978436
"1411459"	109.419204	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H+2Na"	46.985712
"1437383"	328.284646	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H+HCOOH"	47.012746
"225982"	309.29414	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+3H2O+2H"	56.04448
"1515139"	342.33669	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+IsoProp+H"	61.06479
"414825"	312.248088	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+Na+K"	61.952376
"775455"	452.884038	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+Na+K"	61.952376
"1669598"	171.612138	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Na+K"	61.952376
"259759"	626.559568	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+ACN+Na"	64.015768
"1229920"	345.287668	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+ACN+Na"	64.015768
"1718080"	345.311193	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+NH4+HCOOH"	64.039293
"1184528"	116.746518	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+3Na"	68.967654
"1656607"	350.266588	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Na+HCOOH"	68.994688
"165656"	639.46284	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+2K-H"	76.91904
"608498"	920.73474	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+2K-H"	76.91904
"1086083"	358.19094	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2K-H"	76.91904
"146547"	320.235058	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"2M+2K"	77.926316
"590481"	460.871008	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"3M+2K"	77.926316
"1081562"	179.599108	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2K"	77.926316
"1108209"	360.205492	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2K+H"	78.933592
"1342409"	360.293107	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+DMSO+H"	79.021207
"1015317"	364.332276	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2ACN+H"	83.060376
"1534534"	365.325908	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+IsoProp+Na+H"	84.054008
"999890"	182.669776	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+2ACN+2H"	84.067652
"1594393"	366.240528	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+K+HCOOH"	84.968628
"1424427"	396.272038	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+H+CF3COOH"	115.000138
"1154715"	203.183051	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+3ACN+2H"	125.094202
"1705361"	413.298585	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+NH4+CF3COOH"	132.026685
"1646479"	418.25398	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+Na+CF3COOH"	136.98208
"1583225"	434.22792	"C18786"	"Dodemorph"	"C18H35NO"	"281.2719"	"M+K+CF3COOH"	152.95602
"813591"	303.2562	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M"	0
"988462"	284.23781	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-H2O-H"	-19.01839
"76459"	201.163524	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M-3H"	-3.021828
"512739"	302.248924	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M-3H"	-3.021828
"888353"	100.078124	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-3H"	-3.021828
"6927"	302.248924	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M-2H"	-2.014552
"446489"	453.877024	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M-2H"	-2.014552
"823198"	150.620824	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-2H"	-2.014552
"81003"	605.505124	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M-H"	-1.007276
"520563"	908.761324	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M-H"	-1.007276
"896546"	302.248924	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-H"	-1.007276
"49461"	622.531671	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M-2H+NH4"	16.019271
"487151"	925.787871	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M-2H+NH4"	16.019271
"867925"	319.275471	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-2H+NH4"	16.019271
"40202"	627.487066	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M-2H+Na"	20.974666
"472107"	930.743266	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M-2H+Na"	20.974666
"852095"	324.230866	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-2H+Na"	20.974666
"1624909"	324.230866	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Na-2H"	20.974666
"95243"	320.237263	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M-H+Cl"	33.962126
"535530"	471.865363	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M-H+Cl"	33.962126
"931234"	168.609163	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-H+Cl"	33.962126
"270520"	641.481802	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+Cl"	34.969402
"664764"	944.738002	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+Cl"	34.969402
"1278628"	338.225602	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Cl"	34.969402
"22277"	643.461006	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M-2H+K"	36.948606
"456367"	946.717206	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M-2H+K"	36.948606
"833807"	340.204806	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-2H+K"	36.948606
"1559481"	340.204806	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+K-2H"	36.948606
"942860"	348.254394	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-H+HCOOH"	44.998194
"361622"	651.510601	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+HCOOH-H"	44.998201
"345697"	665.526251	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+Hac-H"	59.013851
"1493193"	362.270051	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Hac-H"	59.013851
"961468"	370.236351	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-H+NaCOOH"	66.980151
"114387"	338.225602	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+2Cl"	69.938804
"557231"	489.853702	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+2Cl"	69.938804
"1026030"	186.597502	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2Cl"	69.938804
"1246336"	382.175085	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Br"	78.918885
"1308419"	384.231072	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Cl+HCOOH"	80.974872
"1322634"	406.213029	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Cl+NaCOOH"	102.956829
"913324"	416.241786	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M-H+CF3COOH"	112.985586
"1291861"	452.218464	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Cl+CF3COOH"	148.962264
"1368562"	268.243524	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H-2H2O"	-35.012676
"1385697"	286.2535	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H-H2O"	-17.0027
"284289"	607.519676	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+H"	1.007276
"678167"	910.775876	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+H"	1.007276
"1358527"	304.263476	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H"	1.007276
"133238"	304.263476	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+2H"	2.014552
"577173"	455.891576	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+2H"	2.014552
"1045243"	152.635376	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2H"	2.014552
"207675"	203.178076	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+3H"	3.021828
"653800"	304.263476	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+3H"	3.021828
"1164269"	102.092676	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+3H"	3.021828
"430824"	624.546223	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+NH4"	18.033823
"788540"	927.802423	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+NH4"	18.033823
"1684870"	321.290023	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+NH4"	18.033823
"330632"	312.7767495	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+H+NH4"	19.041099
"723504"	464.4048495	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+H+NH4"	19.041099
"1484864"	161.1486495	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H+NH4"	19.041099
"401365"	629.501618	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+Na"	22.989218
"762364"	932.757818	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+Na"	22.989218
"1613740"	326.245418	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Na"	22.989218
"325971"	315.254447	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+H+Na"	23.996494
"720215"	466.882547	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+H+Na"	23.996494
"1474039"	163.626347	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H+Na"	23.996494
"1063642"	109.41999	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2H+Na"	25.00377
"1266780"	336.289686	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+CH3OH+H"	33.033486
"390090"	645.475558	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+K"	38.963158
"753269"	948.731758	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+K"	38.963158
"1552769"	342.219358	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+K"	38.963158
"309216"	323.241417	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+H+K"	39.970434
"696534"	474.869517	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+H+K"	39.970434
"1452174"	171.613317	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H+K"	39.970434
"237492"	648.546226	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+ACN+H"	42.033826
"1212016"	345.290026	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+ACN+H"	42.033826
"1195538"	173.148651	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+ACN+2H"	43.041102
"195694"	651.48356	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+2Na-H"	44.97116
"633434"	954.73976	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+2Na-H"	44.97116
"1136582"	348.22736	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2Na-H"	44.97116
"183886"	326.245418	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+2Na"	45.978436
"623809"	477.873518	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+2Na"	45.978436
"1125860"	174.617318	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2Na"	45.978436
"1407558"	116.747304	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H+2Na"	46.985712
"1432388"	350.268946	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H+HCOOH"	47.012746
"224997"	331.27844	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+3H2O+2H"	56.04448
"1511967"	364.32099	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+IsoProp+H"	61.06479
"413841"	334.232388	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+Na+K"	61.952376
"775927"	485.860488	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+Na+K"	61.952376
"1669344"	182.604288	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Na+K"	61.952376
"257683"	670.528168	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+ACN+Na"	64.015768
"1231485"	367.271968	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+ACN+Na"	64.015768
"1715637"	367.295493	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+NH4+HCOOH"	64.039293
"1184638"	124.074618	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+3Na"	68.967654
"1659997"	372.250888	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Na+HCOOH"	68.994688
"162486"	683.43144	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+2K-H"	76.91904
"604234"	986.68764	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+2K-H"	76.91904
"1085829"	380.17524	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2K-H"	76.91904
"149937"	342.219358	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"2M+2K"	77.926316
"586217"	493.847458	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"3M+2K"	77.926316
"1079485"	190.591258	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2K"	77.926316
"1108319"	382.189792	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2K+H"	78.933592
"1342519"	382.277407	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+DMSO+H"	79.021207
"1008865"	386.316576	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2ACN+H"	83.060376
"1529176"	387.310208	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+IsoProp+Na+H"	84.054008
"996718"	193.661926	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+2ACN+2H"	84.067652
"1592315"	388.224828	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+K+HCOOH"	84.968628
"1422350"	418.256338	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+H+CF3COOH"	115.000138
"1151545"	214.175201	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+3ACN+2H"	125.094202
"1706564"	435.282885	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+NH4+CF3COOH"	132.026685
"1646589"	440.23828	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+Na+CF3COOH"	136.98208
"1583335"	456.21222	"C18787"	"Fenpropimorph"	"C20H33NO"	"303.2562"	"M+K+CF3COOH"	152.95602
"810421"	321.0568	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M"	0
"988328"	302.03841	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-H2O-H"	-19.01839
"70010"	213.030590666667	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M-3H"	-3.021828
"513942"	320.049524	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M-3H"	-3.021828
"889556"	106.011657333333	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-3H"	-3.021828
"7037"	320.049524	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M-2H"	-2.014552
"449881"	480.577924	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M-2H"	-2.014552
"822215"	159.521124	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-2H"	-2.014552
"81113"	641.106324	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M-H"	-1.007276
"520428"	962.163124	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M-H"	-1.007276
"900665"	320.049524	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-H"	-1.007276
"50664"	658.132871	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M-2H+NH4"	16.019271
"490231"	979.189671	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M-2H+NH4"	16.019271
"865848"	337.076071	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-2H+NH4"	16.019271
"37032"	663.088266	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M-2H+Na"	20.974666
"472338"	984.145066	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M-2H+Na"	20.974666
"853299"	342.031466	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-2H+Na"	20.974666
"1628299"	342.031466	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Na-2H"	20.974666
"97175"	338.037863	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M-H+Cl"	33.962126
"535640"	498.566263	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M-H+Cl"	33.962126
"931344"	177.509463	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-H+Cl"	33.962126
"272453"	677.083002	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+Cl"	34.969402
"664874"	998.139802	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+Cl"	34.969402
"1277642"	356.026202	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Cl"	34.969402
"25303"	679.062206	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M-2H+K"	36.948606
"462311"	1000.119006	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M-2H+K"	36.948606
"837926"	358.005406	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-2H+K"	36.948606
"1559226"	358.005406	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+K-2H"	36.948606
"943462"	366.054994	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-H+HCOOH"	44.998194
"363869"	687.111801	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+HCOOH-H"	44.998201
"346167"	701.127451	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+Hac-H"	59.013851
"1496220"	380.070651	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Hac-H"	59.013851
"963035"	388.036951	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-H+NaCOOH"	66.980151
"111940"	356.026202	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+2Cl"	69.938804
"556245"	516.554602	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+2Cl"	69.938804
"1026139"	195.497802	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2Cl"	69.938804
"1247539"	399.975685	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Br"	78.918885
"1308893"	402.031672	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Cl+HCOOH"	80.974872
"1322014"	424.013629	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Cl+NaCOOH"	102.956829
"912826"	434.042386	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M-H+CF3COOH"	112.985586
"1292335"	470.019064	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Cl+CF3COOH"	148.962264
"1369400"	286.044124	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H-2H2O"	-35.012676
"1385077"	304.0541	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H-H2O"	-17.0027
"286221"	643.120876	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+H"	1.007276
"680465"	964.177676	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+H"	1.007276
"1356450"	322.064076	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H"	1.007276
"133712"	322.064076	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+2H"	2.014552
"577283"	482.592476	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+2H"	2.014552
"1044260"	161.535676	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2H"	2.014552
"218359"	215.045142666667	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+3H"	3.021828
"657193"	322.064076	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+3H"	3.021828
"1170577"	108.026209333333	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+3H"	3.021828
"433122"	660.147423	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+NH4"	18.033823
"794118"	981.204223	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+NH4"	18.033823
"1691540"	339.090623	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+NH4"	18.033823
"335448"	330.5773495	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+H+NH4"	19.041099
"727869"	491.1057495	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+H+NH4"	19.041099
"1479139"	170.0489495	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H+NH4"	19.041099
"401475"	665.102818	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+Na"	22.989218
"762469"	986.159618	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+Na"	22.989218
"1611664"	344.046018	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Na"	22.989218
"326081"	333.055047	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+H+Na"	23.996494
"721054"	493.583447	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+H+Na"	23.996494
"1474150"	172.526647	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H+Na"	23.996494
"1064118"	115.353523333333	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2H+Na"	25.00377
"1268710"	354.090286	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+CH3OH+H"	33.033486
"390199"	681.076758	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+K"	38.963158
"753378"	1002.133558	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+K"	38.963158
"1552515"	360.019958	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+K"	38.963158
"308962"	341.042017	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+H+K"	39.970434
"696644"	501.570417	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+H+K"	39.970434
"1452284"	180.513617	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H+K"	39.970434
"237602"	684.147426	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+ACN+H"	42.033826
"1211761"	363.090626	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+ACN+H"	42.033826
"1195280"	182.048951	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+ACN+2H"	43.041102
"192525"	687.08476	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+2Na-H"	44.97116
"631356"	1008.14156	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+2Na-H"	44.97116
"1137785"	366.02796	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2Na-H"	44.97116
"184362"	344.046018	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+2Na"	45.978436
"623920"	504.574418	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+2Na"	45.978436
"1125971"	183.517618	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2Na"	45.978436
"1410220"	122.680837333333	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H+2Na"	46.985712
"1433955"	368.069546	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H+HCOOH"	47.012746
"228386"	349.07904	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+3H2O+2H"	56.04448
"1514263"	382.12159	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+IsoProp+H"	61.06479
"415773"	352.032988	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+Na+K"	61.952376
"773851"	512.561388	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+Na+K"	61.952376
"1669090"	191.504588	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Na+K"	61.952376
"254879"	706.129368	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+ACN+Na"	64.015768
"1228683"	385.072568	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+ACN+Na"	64.015768
"1717206"	385.096093	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+NH4+HCOOH"	64.039293
"1188028"	130.008151333333	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+3Na"	68.967654
"1656827"	390.051488	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Na+HCOOH"	68.994688
"162596"	719.03264	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+2K-H"	76.91904
"605438"	1040.08944	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+2K-H"	76.91904
"1092136"	397.97584	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2K-H"	76.91904
"153328"	360.019958	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"2M+2K"	77.926316
"589608"	520.548358	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"3M+2K"	77.926316
"1079961"	199.491558	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2K"	77.926316
"1110615"	399.990392	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2K+H"	78.933592
"1347002"	400.078007	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+DMSO+H"	79.021207
"1011161"	404.117176	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2ACN+H"	83.060376
"1532568"	405.110808	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+IsoProp+Na+H"	84.054008
"994644"	202.562226	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+2ACN+2H"	84.067652
"1593516"	406.025428	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+K+HCOOH"	84.968628
"1422462"	436.056938	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+H+CF3COOH"	115.000138
"1154935"	223.075501	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+3ACN+2H"	125.094202
"1707768"	453.083485	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+NH4+CF3COOH"	132.026685
"1647794"	458.03888	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+Na+CF3COOH"	136.98208
"1583445"	474.01282	"C18788"	"Flamprop-M"	"C16H13ClFNO3"	"321.0568"	"M+K+CF3COOH"	152.95602
"807251"	153.0191	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M"	0
"977502"	134.00071	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-H2O-H"	-19.01839
"73400"	101.005457333333	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M-3H"	-3.021828
"514053"	152.011824	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M-3H"	-3.021828
"887479"	49.9990906666667	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-3H"	-3.021828
"3139"	152.011824	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M-2H"	-2.014552
"443429"	228.521374	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M-2H"	-2.014552
"822325"	75.502274	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-2H"	-2.014552
"81223"	305.030924	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M-H"	-1.007276
"519322"	458.050024	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M-H"	-1.007276
"898588"	152.011824	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-H"	-1.007276
"51873"	322.057471	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M-2H+NH4"	16.019271
"488150"	475.076571	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M-2H+NH4"	16.019271
"868148"	169.038371	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-2H+NH4"	16.019271
"32761"	327.012866	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M-2H+Na"	20.974666
"473174"	480.031966	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M-2H+Na"	20.974666
"852316"	173.993766	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-2H+Na"	20.974666
"1618926"	173.993766	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Na-2H"	20.974666
"95946"	170.000163	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M-H+Cl"	33.962126
"537938"	246.509713	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M-H+Cl"	33.962126
"932548"	93.490613	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-H+Cl"	33.962126
"269282"	341.007602	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+Cl"	34.969402
"664984"	494.026702	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+Cl"	34.969402
"1273251"	187.988502	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Cl"	34.969402
"19215"	342.986806	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M-2H+K"	36.948606
"459869"	496.005906	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M-2H+K"	36.948606
"838035"	189.967706	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-2H+K"	36.948606
"1556905"	189.967706	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+K-2H"	36.948606
"944303"	198.017294	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-H+HCOOH"	44.998194
"361786"	351.036401	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+HCOOH-H"	44.998201
"347496"	365.052051	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+Hac-H"	59.013851
"1493044"	212.032951	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Hac-H"	59.013851
"960226"	219.999251	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-H+NaCOOH"	66.980151
"114604"	187.988502	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+2Cl"	69.938804
"556356"	264.498052	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+2Cl"	69.938804
"1027344"	111.478952	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2Cl"	69.938804
"1249109"	231.937985	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Br"	78.918885
"1311553"	233.993972	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Cl+HCOOH"	80.974872
"1327958"	255.975929	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Cl+NaCOOH"	102.956829
"914276"	266.004686	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M-H+CF3COOH"	112.985586
"1290256"	301.981364	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Cl+CF3COOH"	148.962264
"1369511"	118.006424	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H-2H2O"	-35.012676
"1385549"	136.0164	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H-H2O"	-17.0027
"287789"	307.045476	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+H"	1.007276
"680210"	460.064576	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+H"	1.007276
"1354735"	154.026376	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H"	1.007276
"130541"	154.026376	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+2H"	2.014552
"569009"	230.535926	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+2H"	2.014552
"1039266"	77.516826	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2H"	2.014552
"217740"	103.020009333333	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+3H"	3.021828
"647457"	154.026376	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+3H"	3.021828
"1168863"	52.0136426666667	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+3H"	3.021828
"433231"	324.072023	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+NH4"	18.033823
"792038"	477.091123	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+NH4"	18.033823
"1688370"	171.052923	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+NH4"	18.033823
"337740"	162.5396495	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+H+NH4"	19.041099
"726881"	239.0491995	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+H+NH4"	19.041099
"1483261"	86.0300995	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H+NH4"	19.041099
"401589"	329.027418	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+Na"	22.989218
"763678"	482.046518	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+Na"	22.989218
"1612873"	176.008318	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Na"	22.989218
"326926"	165.017347	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+H+Na"	23.996494
"720560"	241.526897	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+H+Na"	23.996494
"1474870"	88.507797	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H+Na"	23.996494
"1064228"	59.3409566666667	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2H+Na"	25.00377
"1269185"	186.052586	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+CH3OH+H"	33.033486
"390303"	345.001358	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+K"	38.963158
"749114"	498.020458	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+K"	38.963158
"1553353"	191.982258	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+K"	38.963158
"309436"	173.004317	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+H+K"	39.970434
"697483"	249.513867	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+H+K"	39.970434
"1452394"	96.494767	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H+K"	39.970434
"237708"	348.072026	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+ACN+H"	42.033826
"1211508"	195.052926	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+ACN+H"	42.033826
"1195027"	98.030101	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+ACN+2H"	43.041102
"190086"	351.00936	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+2Na-H"	44.97116
"631109"	504.02846	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+2Na-H"	44.97116
"1143001"	197.99026	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2Na-H"	44.97116
"184472"	176.008318	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+2Na"	45.978436
"625852"	252.517868	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+2Na"	45.978436
"1122073"	99.498768	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2Na"	45.978436
"1405957"	66.6682706666667	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H+2Na"	46.985712
"1436618"	200.031846	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H+HCOOH"	47.012746
"228498"	181.04134	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+3H2O+2H"	56.04448
"1515465"	214.08389	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+IsoProp+H"	61.06479
"412964"	183.995288	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+Na+K"	61.952376
"773960"	260.504838	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+Na+K"	61.952376
"1670291"	107.485738	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Na+K"	61.952376
"259000"	370.053968	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+ACN+Na"	64.015768
"1230615"	217.034868	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+ACN+Na"	64.015768
"1723146"	217.058393	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+NH4+HCOOH"	64.039293
"1185948"	73.9955846666667	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+3Na"	68.967654
"1656937"	222.013788	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Na+HCOOH"	68.994688
"162706"	382.95724	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+2K-H"	76.91904
"601172"	535.97634	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+2K-H"	76.91904
"1092246"	229.93814	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2K-H"	76.91904
"145782"	191.982258	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"2M+2K"	77.926316
"585347"	268.491808	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"3M+2K"	77.926316
"1078612"	115.472708	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2K"	77.926316
"1110725"	231.952692	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2K+H"	78.933592
"1344925"	232.040307	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+DMSO+H"	79.021207
"1014548"	236.079476	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2ACN+H"	83.060376
"1529393"	237.073108	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+IsoProp+Na+H"	84.054008
"996937"	118.543376	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+2ACN+2H"	84.067652
"1593627"	237.987728	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+K+HCOOH"	84.968628
"1418192"	268.019238	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+H+CF3COOH"	115.000138
"1157232"	139.056651	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+3ACN+2H"	125.094202
"1701315"	285.045785	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+NH4+CF3COOH"	132.026685
"1634900"	290.00118	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+Na+CF3COOH"	136.98208
"1583555"	305.97512	"C18789"	"Fosamine"	"C3H8NO4P"	"153.0191"	"M+K+CF3COOH"	152.95602
"813923"	502.1271	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M"	0
"987455"	483.10871	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H2O-H"	-19.01839
"72416"	333.744124	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-3H"	-3.021828
"514163"	501.119824	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-3H"	-3.021828
"883221"	166.368424	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-3H"	-3.021828
"2888"	501.119824	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H"	-2.014552
"444634"	752.183374	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H"	-2.014552
"821340"	250.056274	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H"	-2.014552
"79267"	1003.246924	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-H"	-1.007276
"518946"	1505.374024	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-H"	-1.007276
"898701"	501.119824	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H"	-1.007276
"50893"	1020.273471	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H+NH4"	16.019271
"492642"	1522.400571	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H+NH4"	16.019271
"879077"	518.146371	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H+NH4"	16.019271
"43813"	1025.228866	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H+Na"	20.974666
"477906"	1527.355966	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H+Na"	20.974666
"851332"	523.101766	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H+Na"	20.974666
"1629615"	523.101766	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na-2H"	20.974666
"98490"	519.108163	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-H+Cl"	33.962126
"542426"	770.171713	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-H+Cl"	33.962126
"931568"	268.044613	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+Cl"	33.962126
"274496"	1039.223602	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Cl"	34.969402
"666918"	1541.350702	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+Cl"	34.969402
"1277864"	537.096502	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl"	34.969402
"19691"	1041.202806	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M-2H+K"	36.948606
"459616"	1543.329906	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M-2H+K"	36.948606
"838146"	539.075706	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-2H+K"	36.948606
"1558355"	539.075706	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K-2H"	36.948606
"947334"	547.125294	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+HCOOH"	44.998194
"363362"	1049.252401	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+HCOOH-H"	44.998201
"349433"	1063.268051	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Hac-H"	59.013851
"1496079"	561.140951	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Hac-H"	59.013851
"965809"	569.107251	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+NaCOOH"	66.980151
"114721"	537.096502	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2Cl"	69.938804
"552094"	788.160052	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2Cl"	69.938804
"1026360"	286.032952	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2Cl"	69.938804
"1247030"	581.045985	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Br"	78.918885
"1311668"	583.101972	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl+HCOOH"	80.974872
"1323697"	605.083929	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl+NaCOOH"	102.956829
"912567"	615.112686	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M-H+CF3COOH"	112.985586
"1288665"	651.089364	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Cl+CF3COOH"	148.962264
"1368531"	467.114424	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H-2H2O"	-35.012676
"1386027"	485.1244	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H-H2O"	-17.0027
"284983"	1005.261476	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H"	1.007276
"679228"	1507.388576	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H"	1.007276
"1351566"	503.134376	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H"	1.007276
"131748"	503.134376	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2H"	2.014552
"573495"	754.197926	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2H"	2.014552
"1044481"	252.070826	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2H"	2.014552
"218946"	335.758676	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+3H"	3.021828
"654131"	503.134376	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+3H"	3.021828
"1171163"	168.382976	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+3H"	3.021828
"433342"	1022.288023	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+NH4"	18.033823
"791058"	1524.415123	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+NH4"	18.033823
"1687388"	520.160923	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+NH4"	18.033823
"335670"	511.6476495	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H+NH4"	19.041099
"725173"	762.7111995	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H+NH4"	19.041099
"1485194"	260.5840995	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+NH4"	19.041099
"402789"	1027.243418	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Na"	22.989218
"769467"	1529.370518	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+Na"	22.989218
"1617246"	525.116318	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na"	22.989218
"326310"	514.125347	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H+Na"	23.996494
"720190"	765.188897	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H+Na"	23.996494
"1476521"	263.061797	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+Na"	23.996494
"1068184"	175.71029	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2H+Na"	25.00377
"1271844"	535.160586	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+CH3OH+H"	33.033486
"390418"	1043.217358	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+K"	38.963158
"752139"	1545.344458	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+K"	38.963158
"1546902"	541.090258	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K"	38.963158
"307356"	522.112317	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+H+K"	39.970434
"694309"	773.175867	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+H+K"	39.970434
"1448126"	271.048767	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+K"	39.970434
"237821"	1046.288026	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+ACN+H"	42.033826
"1210117"	544.160926	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+ACN+H"	42.033826
"1195628"	272.584101	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+ACN+2H"	43.041102
"200407"	1049.22536	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2Na-H"	44.97116
"636693"	1551.35246	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2Na-H"	44.97116
"1141292"	547.09826	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2Na-H"	44.97116
"185314"	525.116318	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2Na"	45.978436
"626333"	776.179868	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2Na"	45.978436
"1127653"	274.052768	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2Na"	45.978436
"1404615"	183.037604	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+2Na"	46.985712
"1434907"	549.139846	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+HCOOH"	47.012746
"227517"	530.14934	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+3H2O+2H"	56.04448
"1514487"	563.19189	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+IsoProp+H"	61.06479
"416358"	533.103288	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+Na+K"	61.952376
"775166"	784.166838	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+Na+K"	61.952376
"1672591"	282.039738	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na+K"	61.952376
"255829"	1068.269968	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+ACN+Na"	64.015768
"1231818"	566.142868	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+ACN+Na"	64.015768
"1723256"	566.166393	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+NH4+HCOOH"	64.039293
"1189343"	190.364918	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+3Na"	68.967654
"1655955"	571.121788	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na+HCOOH"	68.994688
"159536"	1081.17324	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2K-H"	76.91904
"606751"	1583.30034	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2K-H"	76.91904
"1095637"	579.04614	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2K-H"	76.91904
"146986"	541.090258	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"2M+2K"	77.926316
"584364"	792.153808	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"3M+2K"	77.926316
"1078721"	290.026708	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2K"	77.926316
"1108652"	581.060692	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2K+H"	78.933592
"1342847"	581.148307	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+DMSO+H"	79.021207
"1015756"	585.187476	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2ACN+H"	83.060376
"1529504"	586.181108	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+IsoProp+Na+H"	84.054008
"999234"	293.097376	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+2ACN+2H"	84.067652
"1592642"	587.095728	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K+HCOOH"	84.968628
"1422679"	617.127238	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+H+CF3COOH"	115.000138
"1152965"	313.610651	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+3ACN+2H"	125.094202
"1702520"	634.153785	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+NH4+CF3COOH"	132.026685
"1648015"	639.10918	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+Na+CF3COOH"	136.98208
"1583665"	655.08312	"C18790"	"tau-Fluvalinate"	"C26H22ClF3N2O3"	"502.1271"	"M+K+CF3COOH"	152.95602
"812574"	330.1135	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M"	0
"977725"	311.09511	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-H2O-H"	-19.01839
"63127"	219.068390666667	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M-3H"	-3.021828
"504433"	329.106224	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M-3H"	-3.021828
"880122"	109.030557333333	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-3H"	-3.021828
"813"	329.106224	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M-2H"	-2.014552
"440371"	494.162974	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M-2H"	-2.014552
"818295"	164.049474	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-2H"	-2.014552
"78599"	659.219724	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M-H"	-1.007276
"518602"	989.333224	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M-H"	-1.007276
"902095"	329.106224	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-H"	-1.007276
"62064"	676.246271	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M-2H+NH4"	16.019271
"492752"	1006.359771	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M-2H+NH4"	16.019271
"879888"	346.132771	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-2H+NH4"	16.019271
"46978"	681.201666	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M-2H+Na"	20.974666
"484213"	1011.315166	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M-2H+Na"	20.974666
"859099"	351.088166	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-2H+Na"	20.974666
"1622070"	351.088166	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Na-2H"	20.974666
"106257"	347.094563	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M-H+Cl"	33.962126
"542536"	512.151313	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M-H+Cl"	33.962126
"928030"	182.037813	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-H+Cl"	33.962126
"272420"	695.196402	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+Cl"	34.969402
"665936"	1025.309902	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+Cl"	34.969402
"1278341"	365.082902	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Cl"	34.969402
"20896"	697.175606	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M-2H+K"	36.948606
"462643"	1027.289106	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M-2H+K"	36.948606
"837163"	367.062106	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-2H+K"	36.948606
"1558466"	367.062106	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+K-2H"	36.948606
"945988"	375.111694	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-H+HCOOH"	44.998194
"364566"	705.225201	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+HCOOH-H"	44.998201
"349544"	719.240851	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+Hac-H"	59.013851
"1496192"	389.127351	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Hac-H"	59.013851
"964826"	397.093651	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-H+NaCOOH"	66.980151
"114833"	365.082902	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+2Cl"	69.938804
"553298"	530.139652	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+2Cl"	69.938804
"1024648"	200.026152	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2Cl"	69.938804
"1246050"	409.032385	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Br"	78.918885
"1307768"	411.088372	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Cl+HCOOH"	80.974872
"1320116"	433.070329	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Cl+NaCOOH"	102.956829
"917054"	443.099086	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M-H+CF3COOH"	112.985586
"1293763"	479.075764	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Cl+CF3COOH"	148.962264
"1370830"	295.100824	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H-2H2O"	-35.012676
"1383951"	313.1108	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H-H2O"	-17.0027
"284731"	661.234276	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+H"	1.007276
"683714"	991.347776	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+H"	1.007276
"1360063"	331.120776	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H"	1.007276
"131858"	331.120776	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+2H"	2.014552
"577980"	496.177526	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+2H"	2.014552
"1050427"	166.064026	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2H"	2.014552
"218818"	221.082942666667	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+3H"	3.021828
"652055"	331.120776	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+3H"	3.021828
"1170179"	111.045109333333	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+3H"	3.021828
"435275"	678.260823	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+NH4"	18.033823
"793355"	1008.374323	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+NH4"	18.033823
"1685677"	348.147323	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+NH4"	18.033823
"334687"	339.6340495	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+H+NH4"	19.041099
"726013"	504.6907995	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+H+NH4"	19.041099
"1483481"	174.5772995	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H+NH4"	19.041099
"399616"	683.216218	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+Na"	22.989218
"766096"	1013.329718	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+Na"	22.989218
"1616376"	353.102718	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Na"	22.989218
"325318"	342.111747	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+H+Na"	23.996494
"718832"	507.168497	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+H+Na"	23.996494
"1474847"	177.054997	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H+Na"	23.996494
"1067726"	118.372423333333	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2H+Na"	25.00377
"1271592"	363.146986	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+CH3OH+H"	33.033486
"390894"	699.190158	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+K"	38.963158
"752251"	1029.303658	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+K"	38.963158
"1547012"	369.076658	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+K"	38.963158
"304187"	350.098717	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+H+K"	39.970434
"695512"	515.155467	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+H+K"	39.970434
"1447144"	185.041967	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H+K"	39.970434
"237932"	702.260826	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+ACN+H"	42.033826
"1210395"	372.147326	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+ACN+H"	42.033826
"1202184"	186.577301	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+ACN+2H"	43.041102
"198337"	705.19816	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+2Na-H"	44.97116
"640086"	1035.31166	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+2Na-H"	44.97116
"1141404"	375.08466	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2Na-H"	44.97116
"186763"	353.102718	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+2Na"	45.978436
"625350"	518.159468	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+2Na"	45.978436
"1129830"	188.045968	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2Na"	45.978436
"1408007"	125.699737333333	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H+2Na"	46.985712
"1436842"	377.126246	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H+HCOOH"	47.012746
"225443"	358.13574	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+3H2O+2H"	56.04448
"1516785"	391.17829	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+IsoProp+H"	61.06479
"414284"	361.089688	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+Na+K"	61.952376
"775276"	526.146438	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+Na+K"	61.952376
"1669417"	196.032938	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Na+K"	61.952376
"254117"	724.242768	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+ACN+Na"	64.015768
"1229375"	394.129268	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+ACN+Na"	64.015768
"1716440"	394.152793	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+NH4+HCOOH"	64.039293
"1183984"	133.027051333333	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+3Na"	68.967654
"1653879"	399.108188	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Na+HCOOH"	68.994688
"164020"	737.14604	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+2K-H"	76.91904
"603581"	1067.25954	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+2K-H"	76.91904
"1092467"	407.03254	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2K-H"	76.91904
"147097"	369.076658	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"2M+2K"	77.926316
"586661"	534.133408	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"3M+2K"	77.926316
"1075553"	204.019908	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2K"	77.926316
"1102199"	409.047092	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2K+H"	78.933592
"1344052"	409.134707	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+DMSO+H"	79.021207
"1013681"	413.173876	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2ACN+H"	83.060376
"1533993"	414.167508	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+IsoProp+Na+H"	84.054008
"998250"	207.090576	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+2ACN+2H"	84.067652
"1594941"	415.082128	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+K+HCOOH"	84.968628
"1419507"	445.113638	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+H+CF3COOH"	115.000138
"1157453"	227.603851	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+3ACN+2H"	125.094202
"1705910"	462.140185	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+NH4+CF3COOH"	132.026685
"1649218"	467.09558	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+Na+CF3COOH"	136.98208
"1583775"	483.06952	"C18791"	"Halofenozide"	"C18H19ClN2O2"	"330.1135"	"M+K+CF3COOH"	152.95602
"813048"	268.1576	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M"	0
"983300"	249.13921	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-H2O-H"	-19.01839
"63890"	177.764457333333	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M-3H"	-3.021828
"507823"	267.150324	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M-3H"	-3.021828
"880520"	88.3785906666667	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-3H"	-3.021828
"3110"	267.150324	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M-2H"	-2.014552
"441575"	401.229124	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M-2H"	-2.014552
"819377"	133.071524	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-2H"	-2.014552
"78993"	535.307924	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M-H"	-1.007276
"519157"	803.465524	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M-H"	-1.007276
"906579"	267.150324	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-H"	-1.007276
"62297"	552.334471	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M-2H+NH4"	16.019271
"492862"	820.492071	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M-2H+NH4"	16.019271
"878445"	284.176871	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-2H+NH4"	16.019271
"44035"	557.289866	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M-2H+Na"	20.974666
"479220"	825.447466	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M-2H+Na"	20.974666
"853741"	289.132266	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-2H+Na"	20.974666
"1620356"	289.132266	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Na-2H"	20.974666
"96521"	285.138663	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M-H+Cl"	33.962126
"541549"	419.217463	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M-H+Cl"	33.962126
"929232"	151.059863	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-H+Cl"	33.962126
"271437"	571.284602	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+Cl"	34.969402
"666047"	839.442202	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+Cl"	34.969402
"1279545"	303.127002	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Cl"	34.969402
"21007"	573.263806	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M-2H+K"	36.948606
"462754"	841.421406	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M-2H+K"	36.948606
"836181"	305.106206	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-2H+K"	36.948606
"1559670"	305.106206	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+K-2H"	36.948606
"943222"	313.155794	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-H+HCOOH"	44.998194
"362855"	581.313401	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+HCOOH-H"	44.998201
"347468"	595.329051	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+Hac-H"	59.013851
"1495208"	327.171451	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Hac-H"	59.013851
"960196"	335.137751	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-H+NaCOOH"	66.980151
"117129"	303.127002	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+2Cl"	69.938804
"555595"	437.205802	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+2Cl"	69.938804
"1026581"	169.048202	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2Cl"	69.938804
"1246160"	347.076485	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Br"	78.918885
"1310795"	349.132472	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Cl+HCOOH"	80.974872
"1323918"	371.114429	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Cl+NaCOOH"	102.956829
"918258"	381.143186	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M-H+CF3COOH"	112.985586
"1294966"	417.119864	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Cl+CF3COOH"	148.962264
"1370211"	233.144924	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H-2H2O"	-35.012676
"1382843"	251.1549	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H-H2O"	-17.0027
"287028"	537.322476	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+H"	1.007276
"684918"	805.480076	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+H"	1.007276
"1360173"	269.164876	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H"	1.007276
"131968"	269.164876	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+2H"	2.014552
"577726"	403.243676	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+2H"	2.014552
"1052120"	135.086076	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2H"	2.014552
"218685"	179.779009333333	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+3H"	3.021828
"654353"	269.164876	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+3H"	3.021828
"1172476"	90.3931426666667	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+3H"	3.021828
"434656"	554.349023	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+NH4"	18.033823
"791278"	822.506623	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+NH4"	18.033823
"1687610"	286.191423	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+NH4"	18.033823
"335160"	277.6781495	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+H+NH4"	19.041099
"727216"	411.7569495	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+H+NH4"	19.041099
"1482498"	143.5993495	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H+NH4"	19.041099
"399726"	559.304418	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+Na"	22.989218
"766206"	827.462018	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+Na"	22.989218
"1615394"	291.146818	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Na"	22.989218
"325429"	280.155847	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+H+Na"	23.996494
"716756"	414.234647	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+H+Na"	23.996494
"1475929"	146.077047	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H+Na"	23.996494
"1067836"	97.7204566666667	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2H+Na"	25.00377
"1270243"	301.191086	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+CH3OH+H"	33.033486
"387355"	575.278358	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+K"	38.963158
"751266"	843.435958	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+K"	38.963158
"1547122"	307.120758	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+K"	38.963158
"300288"	288.142817	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+H+K"	39.970434
"694528"	422.221617	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+H+K"	39.970434
"1446160"	154.064017	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H+K"	39.970434
"238042"	578.349026	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+ACN+H"	42.033826
"1210751"	310.191426	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+ACN+H"	42.033826
"1203387"	155.599351	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+ACN+2H"	43.041102
"197354"	581.28636	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+2Na-H"	44.97116
"639103"	849.44396	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+2Na-H"	44.97116
"1143581"	313.12876	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2Na-H"	44.97116
"187481"	291.146818	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+2Na"	45.978436
"627040"	425.225618	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+2Na"	45.978436
"1129940"	157.068018	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2Na"	45.978436
"1408117"	105.047770666667	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H+2Na"	46.985712
"1436952"	315.170346	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H+HCOOH"	47.012746
"225552"	296.17984	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+3H2O+2H"	56.04448
"1516894"	329.22239	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+IsoProp+H"	61.06479
"415486"	299.133788	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+Na+K"	61.952376
"775386"	433.212588	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+Na+K"	61.952376
"1668435"	165.054988	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Na+K"	61.952376
"256049"	600.330968	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+ACN+Na"	64.015768
"1233130"	332.173368	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+ACN+Na"	64.015768
"1717643"	332.196893	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+NH4+HCOOH"	64.039293
"1184094"	112.375084666667	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+3Na"	68.967654
"1653988"	337.152288	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Na+HCOOH"	68.994688
"164130"	613.23424	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+2K-H"	76.91904
"603691"	881.39184	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+2K-H"	76.91904
"1090390"	345.07664	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2K-H"	76.91904
"147206"	307.120758	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"2M+2K"	77.926316
"588957"	441.199558	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"3M+2K"	77.926316
"1074572"	173.041958	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2K"	77.926316
"1104496"	347.091192	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2K+H"	78.933592
"1344162"	347.178807	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+DMSO+H"	79.021207
"1014885"	351.217976	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2ACN+H"	83.060376
"1533010"	352.211608	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+IsoProp+Na+H"	84.054008
"998360"	176.112626	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+2ACN+2H"	84.067652
"1596144"	353.126228	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+K+HCOOH"	84.968628
"1420711"	383.157738	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+H+CF3COOH"	115.000138
"1156470"	196.625901	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+3ACN+2H"	125.094202
"1704926"	400.184285	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+NH4+CF3COOH"	132.026685
"1649208"	405.13968	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+Na+CF3COOH"	136.98208
"1583885"	421.11362	"C18792"	"Methyldymron"	"C17H20N2O"	"268.1576"	"M+K+CF3COOH"	152.95602
"814251"	258.0004	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M"	0
"981223"	238.98201	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-H2O-H"	-19.01839
"64485"	170.992990666667	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M-3H"	-3.021828
"505017"	256.993124	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M-3H"	-3.021828
"880144"	84.9928573333333	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-3H"	-3.021828
"297"	256.993124	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M-2H"	-2.014552
"440027"	385.993324	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M-2H"	-2.014552
"818026"	127.992924	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-2H"	-2.014552
"78710"	514.993524	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M-H"	-1.007276
"519394"	772.993924	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M-H"	-1.007276
"902314"	256.993124	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-H"	-1.007276
"51223"	532.020071	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M-2H+NH4"	16.019271
"491879"	790.020471	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M-2H+NH4"	16.019271
"877339"	274.019671	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-2H+NH4"	16.019271
"44145"	536.975466	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M-2H+Na"	20.974666
"478237"	794.975866	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M-2H+Na"	20.974666
"853851"	278.975066	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-2H+Na"	20.974666
"1621195"	278.975066	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Na-2H"	20.974666
"97724"	274.981463	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M-H+Cl"	33.962126
"540566"	403.981663	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M-H+Cl"	33.962126
"928371"	145.981263	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-H+Cl"	33.962126
"269723"	550.970202	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+Cl"	34.969402
"668343"	808.970602	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+Cl"	34.969402
"1280748"	292.969802	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Cl"	34.969402
"22208"	552.949406	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M-2H+K"	36.948606
"462863"	810.949806	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M-2H+K"	36.948606
"839571"	294.949006	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-2H+K"	36.948606
"1559412"	294.949006	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+K-2H"	36.948606
"944014"	302.998594	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-H+HCOOH"	44.998194
"362235"	560.999001	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+HCOOH-H"	44.998201
"346238"	575.014651	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+Hac-H"	59.013851
"1495315"	317.014251	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Hac-H"	59.013851
"959937"	324.980551	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-H+NaCOOH"	66.980151
"117239"	292.969802	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+2Cl"	69.938804
"553518"	421.970002	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+2Cl"	69.938804
"1027784"	163.969602	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2Cl"	69.938804
"1246270"	336.919285	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Br"	78.918885
"1310905"	338.975272	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Cl+HCOOH"	80.974872
"1322934"	360.957229	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Cl+NaCOOH"	102.956829
"918368"	370.985986	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M-H+CF3COOH"	112.985586
"1293983"	406.962664	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Cl+CF3COOH"	148.962264
"1369957"	222.987724	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H-2H2O"	-35.012676
"1384047"	240.9977	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H-H2O"	-17.0027
"287138"	517.008076	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+H"	1.007276
"685028"	775.008476	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+H"	1.007276
"1361376"	259.007676	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H"	1.007276
"132078"	259.007676	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+2H"	2.014552
"578929"	388.007876	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+2H"	2.014552
"1052231"	130.007476	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2H"	2.014552
"219767"	173.007542666667	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+3H"	3.021828
"652276"	259.007676	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+3H"	3.021828
"1170401"	87.0074093333333	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+3H"	3.021828
"432578"	534.034623	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+NH4"	18.033823
"794669"	792.035023	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+NH4"	18.033823
"1687720"	276.034223	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+NH4"	18.033823
"336000"	267.5209495	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+H+NH4"	19.041099
"729513"	396.5211495	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+H+NH4"	19.041099
"1481151"	138.5207495	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H+NH4"	19.041099
"399836"	538.990018	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+Na"	22.989218
"763037"	796.990418	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+Na"	22.989218
"1613683"	280.989618	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Na"	22.989218
"325539"	269.998647	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+H+Na"	23.996494
"716866"	398.998847	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+H+Na"	23.996494
"1471421"	140.998447	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H+Na"	23.996494
"1065393"	94.3347233333333	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2H+Na"	25.00377
"1264517"	291.033886	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+CH3OH+H"	33.033486
"380904"	554.963958	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+K"	38.963158
"741893"	812.964358	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+K"	38.963158
"1540668"	296.963558	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+K"	38.963158
"299784"	277.985617	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+H+K"	39.970434
"691592"	406.985817	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+H+K"	39.970434
"1446988"	148.985417	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H+K"	39.970434
"236450"	558.034626	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+ACN+H"	42.033826
"1210372"	300.034226	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+ACN+H"	42.033826
"1202404"	150.520751	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+ACN+2H"	43.041102
"198557"	560.97196	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+2Na-H"	44.97116
"637026"	818.97236	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+2Na-H"	44.97116
"1141260"	302.97156	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2Na-H"	44.97116
"187228"	280.989618	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+2Na"	45.978436
"626542"	409.989818	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+2Na"	45.978436
"1126891"	151.989418	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2Na"	45.978436
"1407133"	101.662037333333	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H+2Na"	46.985712
"1437061"	305.013146	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H+HCOOH"	47.012746
"227484"	286.02264	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+3H2O+2H"	56.04448
"1514817"	319.06519	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+IsoProp+H"	61.06479
"414502"	288.976588	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+Na+K"	61.952376
"772215"	417.976788	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+Na+K"	61.952376
"1666479"	159.976388	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Na+K"	61.952376
"255065"	580.016568	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+ACN+Na"	64.015768
"1232147"	322.016168	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+ACN+Na"	64.015768
"1719940"	322.039693	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+NH4+HCOOH"	64.039293
"1180923"	108.989351333333	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+3Na"	68.967654
"1655191"	326.995088	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Na+HCOOH"	68.994688
"164240"	592.91984	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+2K-H"	76.91904
"602708"	850.92024	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+2K-H"	76.91904
"1089407"	334.91944	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2K-H"	76.91904
"149504"	296.963558	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"2M+2K"	77.926316
"584692"	425.963758	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"3M+2K"	77.926316
"1077960"	167.963358	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2K"	77.926316
"1105699"	336.933992	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2K+H"	78.933592
"1344272"	337.021607	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+DMSO+H"	79.021207
"1016088"	341.060776	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2ACN+H"	83.060376
"1533119"	342.054408	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+IsoProp+Na+H"	84.054008
"999563"	171.034026	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+2ACN+2H"	84.067652
"1587870"	342.969028	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+K+HCOOH"	84.968628
"1423007"	373.000538	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+H+CF3COOH"	115.000138
"1151108"	191.547301	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+3ACN+2H"	125.094202
"1705036"	390.027085	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+NH4+CF3COOH"	132.026685
"1649440"	394.98248	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+Na+CF3COOH"	136.98208
"1583995"	410.95642	"C18793"	"Metobromuron"	"C9H11BrN2O2"	"258.0004"	"M+K+CF3COOH"	152.95602
"814361"	214.0509	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M"	0
"981333"	195.03251	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-H2O-H"	-19.01839
"70671"	141.693324	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M-3H"	-3.021828
"514603"	213.043624	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M-3H"	-3.021828
"880376"	70.343024	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-3H"	-3.021828
"2236"	213.043624	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M-2H"	-2.014552
"440577"	320.069074	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M-2H"	-2.014552
"818012"	106.018174	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-2H"	-2.014552
"79588"	427.094524	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M-H"	-1.007276
"519993"	641.145424	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M-H"	-1.007276
"901330"	213.043624	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-H"	-1.007276
"51333"	444.121071	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M-2H+NH4"	16.019271
"491989"	658.171971	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M-2H+NH4"	16.019271
"879279"	230.070171	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-2H+NH4"	16.019271
"46688"	449.076466	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M-2H+Na"	20.974666
"483815"	663.127366	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M-2H+Na"	20.974666
"861616"	235.025566	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-2H+Na"	20.974666
"1622400"	235.025566	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Na-2H"	20.974666
"97834"	231.031963	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M-H+Cl"	33.962126
"540677"	338.057413	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M-H+Cl"	33.962126
"932008"	124.006513	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-H+Cl"	33.962126
"272750"	463.071202	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+Cl"	34.969402
"668453"	677.122102	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+Cl"	34.969402
"1275026"	249.020302	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Cl"	34.969402
"23413"	465.050406	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M-2H+K"	36.948606
"460787"	679.101306	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M-2H+K"	36.948606
"839681"	250.999506	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-2H+K"	36.948606
"1559157"	250.999506	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+K-2H"	36.948606
"944489"	259.049094	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-H+HCOOH"	44.998194
"363076"	473.100001	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+HCOOH-H"	44.998201
"347688"	487.115651	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+Hac-H"	59.013851
"1494332"	273.064751	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Hac-H"	59.013851
"960167"	281.031051	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-H+NaCOOH"	66.980151
"117350"	249.020302	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+2Cl"	69.938804
"553629"	356.045752	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+2Cl"	69.938804
"1028988"	141.994852	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2Cl"	69.938804
"1249661"	292.969785	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Br"	78.918885
"1316483"	295.025772	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Cl+HCOOH"	80.974872
"1323044"	317.007729	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Cl+NaCOOH"	102.956829
"920664"	327.036486	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M-H+CF3COOH"	112.985586
"1300654"	363.013164	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Cl+CF3COOH"	148.962264
"1375535"	179.038224	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H-2H2O"	-35.012676
"1386470"	197.0482	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H-H2O"	-17.0027
"286156"	429.109076	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+H"	1.007276
"685867"	643.159976	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+H"	1.007276
"1359300"	215.058176	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H"	1.007276
"131095"	215.058176	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+2H"	2.014552
"580499"	322.083626	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+2H"	2.014552
"1052586"	108.032726	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2H"	2.014552
"219393"	143.707876	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+3H"	3.021828
"651296"	215.058176	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+3H"	3.021828
"1168325"	72.357576	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+3H"	3.021828
"431595"	446.135623	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+NH4"	18.033823
"789313"	660.186523	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+NH4"	18.033823
"1686737"	232.084723	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+NH4"	18.033823
"337203"	223.5714495	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+H+NH4"	19.041099
"728530"	330.5968995	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+H+NH4"	19.041099
"1477249"	116.5459995	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H+NH4"	19.041099
"397760"	451.091018	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+Na"	22.989218
"764241"	665.141918	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+Na"	22.989218
"1612337"	237.040118	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Na"	22.989218
"325649"	226.049147	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+H+Na"	23.996494
"718069"	333.074597	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+H+Na"	23.996494
"1471532"	119.023697	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H+Na"	23.996494
"1063682"	79.68489	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2H+Na"	25.00377
"1268274"	247.084386	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+CH3OH+H"	33.033486
"386118"	467.064958	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+K"	38.963158
"743101"	681.115858	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+K"	38.963158
"1543330"	253.014058	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+K"	38.963158
"300505"	234.036117	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+H+K"	39.970434
"694015"	341.061567	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+H+K"	39.970434
"1446735"	127.010667	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H+K"	39.970434
"236794"	470.135626	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+ACN+H"	42.033826
"1212065"	256.084726	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+ACN+H"	42.033826
"1195582"	128.546001	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+ACN+2H"	43.041102
"195385"	473.07296	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+2Na-H"	44.97116
"639323"	687.12386	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+2Na-H"	44.97116
"1144288"	259.02206	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2Na-H"	44.97116
"182474"	237.040118	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+2Na"	45.978436
"621304"	344.065568	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+2Na"	45.978436
"1121533"	130.014668	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2Na"	45.978436
"1403233"	87.012204	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H+2Na"	46.985712
"1434985"	261.063646	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H+HCOOH"	47.012746
"229052"	242.07314	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+3H2O+2H"	56.04448
"1513834"	275.11569	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+IsoProp+H"	61.06479
"412426"	245.027088	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+Na+K"	61.952376
"772327"	352.052538	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+Na+K"	61.952376
"1668656"	138.001638	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Na+K"	61.952376
"255173"	492.117568	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+ACN+Na"	64.015768
"1231164"	278.066668	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+ACN+Na"	64.015768
"1717864"	278.090193	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+NH4+HCOOH"	64.039293
"1179940"	94.339518	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+3Na"	68.967654
"1656396"	283.045588	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Na+HCOOH"	68.994688
"162163"	505.02084	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+2K-H"	76.91904
"602818"	719.07174	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+2K-H"	76.91904
"1089517"	290.96994	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2K-H"	76.91904
"147427"	253.014058	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"2M+2K"	77.926316
"588081"	360.039508	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"3M+2K"	77.926316
"1076615"	145.988608	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2K"	77.926316
"1107997"	292.984492	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2K+H"	78.933592
"1344382"	293.072107	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+DMSO+H"	79.021207
"1015831"	297.111276	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2ACN+H"	83.060376
"1527757"	298.104908	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+IsoProp+Na+H"	84.054008
"998582"	149.059276	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+2ACN+2H"	84.067652
"1595271"	299.019528	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+K+HCOOH"	84.968628
"1425306"	329.051038	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+H+CF3COOH"	115.000138
"1153405"	169.572551	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+3ACN+2H"	125.094202
"1704053"	346.077585	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+NH4+CF3COOH"	132.026685
"1649549"	351.03298	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+Na+CF3COOH"	136.98208
"1584105"	367.00692	"C18794"	"Monolinuron"	"C9H11ClN2O2"	"214.0509"	"M+K+CF3COOH"	152.95602
"814471"	275.1885	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M"	0
"981443"	256.17011	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-H2O-H"	-19.01839
"71872"	182.451724	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M-3H"	-3.021828
"508153"	274.181224	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M-3H"	-3.021828
"881583"	90.722224	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-3H"	-3.021828
"2346"	274.181224	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M-2H"	-2.014552
"441054"	411.775474	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M-2H"	-2.014552
"818126"	136.586974	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-2H"	-2.014552
"79940"	549.369724	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M-H"	-1.007276
"521440"	824.558224	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M-H"	-1.007276
"901440"	274.181224	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-H"	-1.007276
"53630"	566.396271	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M-2H+NH4"	16.019271
"495379"	841.584771	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M-2H+NH4"	16.019271
"879265"	291.207771	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-2H+NH4"	16.019271
"42179"	571.351666	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M-2H+Na"	20.974666
"483925"	846.540166	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M-2H+Na"	20.974666
"861726"	296.163166	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-2H+Na"	20.974666
"1623604"	296.163166	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Na-2H"	20.974666
"96000"	292.169563	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M-H+Cl"	33.962126
"540787"	429.763813	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M-H+Cl"	33.962126
"931389"	154.575313	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-H+Cl"	33.962126
"271767"	585.346402	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+Cl"	34.969402
"666376"	860.534902	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+Cl"	34.969402
"1274650"	310.157902	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Cl"	34.969402
"21337"	587.325606	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M-2H+K"	36.948606
"459804"	862.514106	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M-2H+K"	36.948606
"837604"	312.137106	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-2H+K"	36.948606
"1558174"	312.137106	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+K-2H"	36.948606
"944966"	320.186694	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-H+HCOOH"	44.998194
"362334"	595.375201	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+HCOOH-H"	44.998201
"347798"	609.390851	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+Hac-H"	59.013851
"1494442"	334.202351	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Hac-H"	59.013851
"960520"	342.168651	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-H+NaCOOH"	66.980151
"119647"	310.157902	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+2Cl"	69.938804
"557019"	447.752152	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+2Cl"	69.938804
"1031286"	172.563652	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2Cl"	69.938804
"1247584"	354.107385	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Br"	78.918885
"1318780"	356.163372	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Cl+HCOOH"	80.974872
"1322062"	378.145329	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Cl+NaCOOH"	102.956829
"921868"	388.174086	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M-H+CF3COOH"	112.985586
"1298578"	424.150764	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Cl+CF3COOH"	148.962264
"1372365"	240.175824	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H-2H2O"	-35.012676
"1385487"	258.1858	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H-H2O"	-17.0027
"291733"	551.384276	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+H"	1.007276
"688528"	826.572776	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+H"	1.007276
"1361597"	276.195776	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H"	1.007276
"136672"	276.195776	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+2H"	2.014552
"579513"	413.790026	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+2H"	2.014552
"1052329"	138.601526	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2H"	2.014552
"219500"	184.466276	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+3H"	3.021828
"653592"	276.195776	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+3H"	3.021828
"1169529"	92.736776	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+3H"	3.021828
"433894"	568.410823	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+NH4"	18.033823
"790517"	843.599323	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+NH4"	18.033823
"1689034"	293.222323	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+NH4"	18.033823
"336585"	284.7090495	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+H+NH4"	19.041099
"727913"	422.3032995	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+H+NH4"	19.041099
"1477723"	147.1147995	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H+NH4"	19.041099
"396047"	573.366218	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+Na"	22.989218
"765444"	848.554718	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+Na"	22.989218
"1614633"	298.177718	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Na"	22.989218
"323573"	287.186747	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+H+Na"	23.996494
"714899"	424.780997	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+H+Na"	23.996494
"1473830"	149.592497	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H+Na"	23.996494
"1063062"	100.06409	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2H+Na"	25.00377
"1266563"	308.221986	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+CH3OH+H"	33.033486
"386592"	589.340158	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+K"	38.963158
"743211"	864.528658	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+K"	38.963158
"1543804"	314.151658	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+K"	38.963158
"299274"	295.173717	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+H+K"	39.970434
"692788"	432.767967	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+H+K"	39.970434
"1447210"	157.579467	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H+K"	39.970434
"237272"	592.410826	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+ACN+H"	42.033826
"1212175"	317.222326	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+ACN+H"	42.033826
"1194595"	159.114801	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+ACN+2H"	43.041102
"196589"	595.34816	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+2Na-H"	44.97116
"639433"	870.53666	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+2Na-H"	44.97116
"1143669"	320.15966	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2Na-H"	44.97116
"182585"	298.177718	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+2Na"	45.978436
"621414"	435.771968	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+2Na"	45.978436
"1120913"	160.583468	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2Na"	45.978436
"1402250"	107.391404	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H+2Na"	46.985712
"1437282"	322.201246	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H+HCOOH"	47.012746
"225882"	303.21074	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+3H2O+2H"	56.04448
"1512850"	336.25329	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+IsoProp+H"	61.06479
"411442"	306.164688	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+Na+K"	61.952376
"771465"	443.758938	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+Na+K"	61.952376
"1672047"	168.570438	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Na+K"	61.952376
"256379"	614.392768	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+ACN+Na"	64.015768
"1233461"	339.204268	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+ACN+Na"	64.015768
"1722348"	339.227793	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+NH4+HCOOH"	64.039293
"1184424"	114.718718	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+3Na"	68.967654
"1656506"	344.183188	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Na+HCOOH"	68.994688
"164460"	627.29604	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+2K-H"	76.91904
"608395"	902.48454	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+2K-H"	76.91904
"1092907"	352.10754	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2K-H"	76.91904
"153004"	314.151658	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"2M+2K"	77.926316
"590378"	451.745908	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"3M+2K"	77.926316
"1078178"	176.557408	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2K"	77.926316
"1108107"	354.122092	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2K+H"	78.933592
"1338052"	354.209707	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+DMSO+H"	79.021207
"1011929"	358.248876	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2ACN+H"	83.060376
"1527867"	359.242508	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+IsoProp+Na+H"	84.054008
"998692"	179.628076	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+2ACN+2H"	84.067652
"1594288"	360.157128	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+K+HCOOH"	84.968628
"1423229"	390.188638	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+H+CF3COOH"	115.000138
"1154608"	200.141351	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+3ACN+2H"	125.094202
"1704163"	407.215185	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+NH4+CF3COOH"	132.026685
"1649538"	412.17058	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+Na+CF3COOH"	136.98208
"1584215"	428.14452	"C18795"	"MGK 264;N-Octylbicycloheptene dicarboximide"	"C17H25NO2"	"275.1885"	"M+K+CF3COOH"	152.95602
"816941"	99.0684	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M"	0
"987751"	80.05001	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-H2O-H"	-19.01839
"75263"	65.038324	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M-3H"	-3.021828
"511545"	98.061124	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M-3H"	-3.021828
"880964"	32.015524	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-3H"	-3.021828
"4644"	98.061124	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M-2H"	-2.014552
"441649"	147.595324	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M-2H"	-2.014552
"818358"	48.526924	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-2H"	-2.014552
"78954"	197.129524	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M-H"	-1.007276
"522279"	296.197924	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M-H"	-1.007276
"906654"	98.061124	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-H"	-1.007276
"55924"	214.156071	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M-2H+NH4"	16.019271
"492206"	313.224471	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M-2H+NH4"	16.019271
"879700"	115.087671	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-2H+NH4"	16.019271
"46056"	219.111466	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M-2H+Na"	20.974666
"481847"	318.179866	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M-2H+Na"	20.974666
"859649"	120.043066	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-2H+Na"	20.974666
"1624807"	120.043066	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Na-2H"	20.974666
"96961"	116.049463	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M-H+Cl"	33.962126
"538710"	165.583663	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M-H+Cl"	33.962126
"935510"	66.515263	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-H+Cl"	33.962126
"268719"	233.106202	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+Cl"	34.969402
"664299"	332.174602	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+Cl"	34.969402
"1277795"	134.037802	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Cl"	34.969402
"21448"	235.085406	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M-2H+K"	36.948606
"461008"	334.153806	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M-2H+K"	36.948606
"839902"	136.017006	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-2H+K"	36.948606
"1562296"	136.017006	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+K-2H"	36.948606
"946902"	144.066594	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-H+HCOOH"	44.998194
"368400"	243.135001	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+HCOOH-H"	44.998201
"351190"	257.150651	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+Hac-H"	59.013851
"1496741"	158.082251	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Hac-H"	59.013851
"965376"	166.048551	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-H+NaCOOH"	66.980151
"121576"	134.037802	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+2Cl"	69.938804
"557127"	183.572002	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+2Cl"	69.938804
"1031397"	84.503602	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2Cl"	69.938804
"1253162"	177.987285	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Br"	78.918885
"1319257"	180.043272	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Cl+HCOOH"	80.974872
"1322536"	202.025229	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Cl+NaCOOH"	102.956829
"920884"	212.053986	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M-H+CF3COOH"	112.985586
"1299781"	248.030664	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Cl+CF3COOH"	148.962264
"1373569"	64.055724	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H-2H2O"	-35.012676
"1388877"	82.0657	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H-H2O"	-17.0027
"292937"	199.144076	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+H"	1.007276
"688638"	298.212476	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+H"	1.007276
"1366972"	100.075676	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H"	1.007276
"141301"	100.075676	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+2H"	2.014552
"579624"	149.609876	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+2H"	2.014552
"1052685"	50.541476	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2H"	2.014552
"219894"	67.052876	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+3H"	3.021828
"652609"	100.075676	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+3H"	3.021828
"1174013"	34.030076	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+3H"	3.021828
"434007"	216.170623	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+NH4"	18.033823
"796097"	315.239023	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+NH4"	18.033823
"1691334"	117.102223	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+NH4"	18.033823
"340705"	108.5889495	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+H+NH4"	19.041099
"730939"	158.1231495	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+H+NH4"	19.041099
"1482572"	59.0547495	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H+NH4"	19.041099
"397979"	221.126018	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+Na"	22.989218
"767740"	320.194418	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+Na"	22.989218
"1616932"	122.057618	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Na"	22.989218
"328787"	111.066647	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+H+Na"	23.996494
"716105"	160.600847	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+H+Na"	23.996494
"1475397"	61.532447	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H+Na"	23.996494
"1067549"	41.35739	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2H+Na"	25.00377
"1265946"	132.101886	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+CH3OH+H"	33.033486
"389620"	237.099958	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+K"	38.963158
"746603"	336.168358	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+K"	38.963158
"1547562"	138.031558	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+K"	38.963158
"305831"	119.053617	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+H+K"	39.970434
"693874"	168.587817	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+H+K"	39.970434
"1448787"	69.519417	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H+K"	39.970434
"240665"	240.170626	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+ACN+H"	42.033826
"1212285"	141.102226	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+ACN+H"	42.033826
"1197987"	71.054751	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+ACN+2H"	43.041102
"197794"	243.10796	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+2Na-H"	44.97116
"643555"	342.17636	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+2Na-H"	44.97116
"1143779"	144.03956	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2Na-H"	44.97116
"188526"	122.057618	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+2Na"	45.978436
"624442"	171.591818	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+2Na"	45.978436
"1126128"	72.523418	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2Na"	45.978436
"1407464"	48.684704	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H+2Na"	46.985712
"1439580"	146.081146	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H+HCOOH"	47.012746
"225993"	127.09064	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+3H2O+2H"	56.04448
"1516241"	160.13319	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+IsoProp+H"	61.06479
"412646"	130.044588	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+Na+K"	61.952376
"773641"	179.578788	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+Na+K"	61.952376
"1674343"	80.510388	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Na+K"	61.952376
"259767"	262.152568	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+ACN+Na"	64.015768
"1235757"	163.084168	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+ACN+Na"	64.015768
"1724645"	163.107693	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+NH4+HCOOH"	64.039293
"1185627"	56.012018	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+3Na"	68.967654
"1656614"	168.063088	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Na+HCOOH"	68.994688
"165663"	275.05584	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+2K-H"	76.91904
"611058"	374.12424	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+2K-H"	76.91904
"1090832"	175.98744	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2K-H"	76.91904
"148743"	138.031558	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"2M+2K"	77.926316
"592676"	187.565758	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"3M+2K"	77.926316
"1069293"	88.497358	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2K"	77.926316
"1108217"	178.001992	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2K+H"	78.933592
"1340227"	178.089607	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+DMSO+H"	79.021207
"1012039"	182.128776	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2ACN+H"	83.060376
"1527977"	183.122408	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+IsoProp+Na+H"	84.054008
"999895"	91.568026	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+2ACN+2H"	84.067652
"1596584"	184.037028	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+K+HCOOH"	84.968628
"1425525"	214.068538	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+H+CF3COOH"	115.000138
"1154718"	112.081301	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+3ACN+2H"	125.094202
"1697829"	231.095085	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+NH4+CF3COOH"	132.026685
"1649729"	236.05048	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+Na+CF3COOH"	136.98208
"1584325"	252.02442	"C18796"	"(2R)-2-Hydroxy-2-methylbutanenitrile;2-Hydroxy-2-methylbutanenitrile"	"C5H9NO"	"99.0684"	"M+K+CF3COOH"	152.95602
"804851"	917.3056	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M"	0
"980569"	898.28721	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-H2O-H"	-19.01839
"63346"	610.529790666667	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M-3H"	-3.021828
"506190"	916.298324	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M-3H"	-3.021828
"886181"	304.761257333333	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-3H"	-3.021828
"421"	916.298324	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M-2H"	-2.014552
"443221"	1374.951124	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M-2H"	-2.014552
"818836"	457.645524	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-2H"	-2.014552
"79069"	1833.603924	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M-H"	-1.007276
"528235"	2750.909524	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M-H"	-1.007276
"899474"	916.298324	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-H"	-1.007276
"54944"	1850.630471	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M-2H+NH4"	16.019271
"499979"	2767.936071	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M-2H+NH4"	16.019271
"878388"	933.324871	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-2H+NH4"	16.019271
"43497"	1855.585866	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M-2H+Na"	20.974666
"484146"	2772.891466	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M-2H+Na"	20.974666
"856479"	938.280266	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-2H+Na"	20.974666
"1620545"	938.280266	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Na-2H"	20.974666
"103636"	934.286663	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M-H+Cl"	33.962126
"538826"	1392.939463	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M-H+Cl"	33.962126
"929059"	475.633863	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-H+Cl"	33.962126
"267491"	1869.580602	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+Cl"	34.969402
"661494"	2786.886202	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+Cl"	34.969402
"1273895"	952.275002	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Cl"	34.969402
"20467"	1871.559806	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M-2H+K"	36.948606
"456016"	2788.865406	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M-2H+K"	36.948606
"835642"	954.254206	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-2H+K"	36.948606
"1558159"	954.254206	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+K-2H"	36.948606
"952484"	962.303794	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-H+HCOOH"	44.998194
"372885"	1879.609401	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+HCOOH-H"	44.998201
"355675"	1893.625051	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+Hac-H"	59.013851
"1501227"	976.319451	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Hac-H"	59.013851
"964397"	984.285751	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-H+NaCOOH"	66.980151
"123146"	952.275002	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+2Cl"	69.938804
"557242"	1410.927802	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+2Cl"	69.938804
"1031508"	493.622202	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2Cl"	69.938804
"1249993"	996.224485	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Br"	78.918885
"1316816"	998.280472	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Cl+HCOOH"	80.974872
"1329939"	1020.262429	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Cl+NaCOOH"	102.956829
"926346"	1030.291186	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M-H+CF3COOH"	112.985586
"1299893"	1066.267864	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Cl+CF3COOH"	148.962264
"1378054"	882.292924	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H-2H2O"	-35.012676
"1385708"	900.3029	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H-H2O"	-17.0027
"286488"	1835.618476	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+H"	1.007276
"685470"	2752.924076	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+H"	1.007276
"1360724"	918.312876	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H"	1.007276
"138353"	918.312876	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+2H"	2.014552
"576456"	1376.965676	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+2H"	2.014552
"1051453"	459.660076	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2H"	2.014552
"212066"	612.544342666667	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+3H"	3.021828
"651625"	918.312876	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+3H"	3.021828
"1170844"	306.775809333333	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+3H"	3.021828
"431930"	1852.645023	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+NH4"	18.033823
"792926"	2769.950623	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+NH4"	18.033823
"1689258"	935.339423	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+NH4"	18.033823
"336443"	926.8261495	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+H+NH4"	19.041099
"729959"	1385.4789495	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+H+NH4"	19.041099
"1487069"	468.1733495	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H+NH4"	19.041099
"407952"	1857.600418	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+Na"	22.989218
"768950"	2774.906018	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+Na"	22.989218
"1617979"	940.294818	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Na"	22.989218
"328173"	929.303847	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+H+Na"	23.996494
"721934"	1387.956647	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+H+Na"	23.996494
"1474414"	470.651047	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H+Na"	23.996494
"1064377"	314.103123333333	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2H+Na"	25.00377
"1266055"	950.339086	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+CH3OH+H"	33.033486
"385722"	1873.574358	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+K"	38.963158
"748903"	2790.879958	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+K"	38.963158
"1544393"	956.268758	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+K"	38.963158
"300107"	937.290817	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+H+K"	39.970434
"693620"	1395.943617	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+H+K"	39.970434
"1447805"	478.638017	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H+K"	39.970434
"239691"	1876.645026	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+ACN+H"	42.033826
"1217865"	959.339426	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+ACN+H"	42.033826
"1209046"	480.173351	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+ACN+2H"	43.041102
"202286"	1879.58236	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+2Na-H"	44.97116
"643996"	2796.88796	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+2Na-H"	44.97116
"1146881"	962.27676	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2Na-H"	44.97116
"183169"	940.294818	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+2Na"	45.978436
"624920"	1398.947618	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+2Na"	45.978436
"1123321"	481.642018	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2Na"	45.978436
"1405389"	321.430437333333	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H+2Na"	46.985712
"1437504"	964.318346	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H+HCOOH"	47.012746
"223917"	945.32784	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+3H2O+2H"	56.04448
"1511977"	978.37039	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+IsoProp+H"	61.06479
"410568"	948.281788	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+Na+K"	61.952376
"775939"	1406.934588	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+Na+K"	61.952376
"1668990"	489.628988	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Na+K"	61.952376
"255507"	1898.626968	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+ACN+Na"	64.015768
"1227121"	981.321368	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+ACN+Na"	64.015768
"1719292"	981.344893	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+NH4+HCOOH"	64.039293
"1185741"	328.757751333333	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+3Na"	68.967654
"1657820"	986.300288	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Na+HCOOH"	68.994688
"166870"	1911.53024	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+2K-H"	76.91904
"605336"	2828.83584	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+2K-H"	76.91904
"1096410"	994.22464	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2K-H"	76.91904
"152862"	956.268758	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"2M+2K"	77.926316
"585136"	1414.921558	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"3M+2K"	77.926316
"1068834"	497.615958	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2K"	77.926316
"1108330"	996.239192	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2K+H"	78.933592
"1344715"	996.326807	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+DMSO+H"	79.021207
"1013247"	1000.365976	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2ACN+H"	83.060376
"1533562"	1001.359608	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+IsoProp+Na+H"	84.054008
"997821"	500.686626	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+2ACN+2H"	84.067652
"1595606"	1002.274228	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+K+HCOOH"	84.968628
"1424544"	1032.305738	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+H+CF3COOH"	115.000138
"1155924"	521.199901	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+3ACN+2H"	125.094202
"1710584"	1049.332285	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+NH4+CF3COOH"	132.026685
"1644411"	1054.28768	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+Na+CF3COOH"	136.98208
"1584436"	1070.26162	"C18798"	"510-Methylene-H4SPT;510-Methylene-tetrahydrosarcinapterin;Methylene-tetrahydrosarcinapterin"	"C36H52N7O19P"	"917.3056"	"M+K+CF3COOH"	152.95602
"804961"	919.3212	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M"	0
"978492"	900.30281	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-H2O-H"	-19.01839
"70014"	611.873524	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M-3H"	-3.021828
"508487"	918.313924	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M-3H"	-3.021828
"887384"	305.433124	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-3H"	-3.021828
"855"	918.313924	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M-2H"	-2.014552
"443331"	1377.974524	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M-2H"	-2.014552
"818946"	458.653324	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-2H"	-2.014552
"78977"	1837.635124	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M-H"	-1.007276
"528345"	2756.956324	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M-H"	-1.007276
"900677"	918.313924	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-H"	-1.007276
"53961"	1854.661671	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M-2H+NH4"	16.019271
"497901"	2773.982871	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M-2H+NH4"	16.019271
"876675"	935.340471	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-2H+NH4"	16.019271
"43603"	1859.617066	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M-2H+Na"	20.974666
"483163"	2778.938266	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M-2H+Na"	20.974666
"856589"	940.295866	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-2H+Na"	20.974666
"1621383"	940.295866	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Na-2H"	20.974666
"106662"	936.302263	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M-H+Cl"	33.962126
"543311"	1395.962863	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M-H+Cl"	33.962126
"929167"	476.641663	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-H+Cl"	33.962126
"269547"	1873.611802	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+Cl"	34.969402
"662695"	2792.933002	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+Cl"	34.969402
"1275096"	954.290602	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Cl"	34.969402
"18023"	1875.591006	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M-2H+K"	36.948606
"459038"	2794.912206	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M-2H+K"	36.948606
"834653"	956.269806	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-2H+K"	36.948606
"1556324"	956.269806	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+K-2H"	36.948606
"944200"	964.319394	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-H+HCOOH"	44.998194
"362177"	1883.640601	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+HCOOH-H"	44.998201
"347399"	1897.656251	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+Hac-H"	59.013851
"1498054"	978.335051	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Hac-H"	59.013851
"964507"	986.301351	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-H+NaCOOH"	66.980151
"119976"	954.290602	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+2Cl"	69.938804
"557352"	1413.951202	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+2Cl"	69.938804
"1031618"	494.630002	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2Cl"	69.938804
"1250103"	998.240085	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Br"	78.918885
"1316926"	1000.296072	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Cl+HCOOH"	80.974872
"1330048"	1022.278029	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Cl+NaCOOH"	102.956829
"923298"	1032.306786	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M-H+CF3COOH"	112.985586
"1301825"	1068.283464	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Cl+CF3COOH"	148.962264
"1378164"	884.308524	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H-2H2O"	-35.012676
"1386911"	902.3185	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H-H2O"	-17.0027
"287691"	1839.649676	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+H"	1.007276
"688860"	2758.970876	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+H"	1.007276
"1363021"	920.328476	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H"	1.007276
"140975"	920.328476	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+2H"	2.014552
"576566"	1379.989076	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+2H"	2.014552
"1051563"	460.667876	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2H"	2.014552
"212176"	613.888076	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+3H"	3.021828
"650642"	920.328476	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+3H"	3.021828
"1169861"	307.447676	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+3H"	3.021828
"429853"	1856.676223	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+NH4"	18.033823
"788661"	2775.997423	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+NH4"	18.033823
"1686450"	937.355023	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+NH4"	18.033823
"333270"	928.8417495	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+H+NH4"	19.041099
"730069"	1388.5023495	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+H+NH4"	19.041099
"1483899"	469.1811495	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H+NH4"	19.041099
"401483"	1861.631618	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+Na"	22.989218
"762481"	2780.952818	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+Na"	22.989218
"1611675"	942.310418	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Na"	22.989218
"328040"	931.319447	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+H+Na"	23.996494
"721801"	1390.980047	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+H+Na"	23.996494
"1475496"	471.658847	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H+Na"	23.996494
"1064485"	314.77499	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2H+Na"	25.00377
"1269810"	952.354686	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+CH3OH+H"	33.033486
"386925"	1877.605558	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+K"	38.963158
"750106"	2796.926758	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+K"	38.963158
"1544867"	958.284358	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+K"	38.963158
"300946"	939.306417	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+H+K"	39.970434
"693730"	1398.967017	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+H+K"	39.970434
"1447915"	479.645817	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H+K"	39.970434
"241987"	1880.676226	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+ACN+H"	42.033826
"1220161"	961.355026	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+ACN+H"	42.033826
"1208792"	481.181151	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+ACN+2H"	43.041102
"202396"	1883.61356	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+2Na-H"	44.97116
"643172"	2802.93476	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+2Na-H"	44.97116
"1146069"	964.29236	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2Na-H"	44.97116
"185103"	942.310418	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+2Na"	45.978436
"624302"	1401.971018	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+2Na"	45.978436
"1125255"	482.649818	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2Na"	45.978436
"1405499"	322.102304	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H+2Na"	46.985712
"1437614"	966.333946	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H+HCOOH"	47.012746
"225484"	947.34344	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+3H2O+2H"	56.04448
"1512451"	980.38599	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+IsoProp+H"	61.06479
"411042"	950.297388	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+Na+K"	61.952376
"776049"	1409.957988	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+Na+K"	61.952376
"1669100"	490.636788	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Na+K"	61.952376
"261084"	1902.658168	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+ACN+Na"	64.015768
"1232699"	983.336968	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+ACN+Na"	64.015768
"1720496"	983.360493	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+NH4+HCOOH"	64.039293
"1186944"	329.429618	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+3Na"	68.967654
"1657929"	988.315888	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Na+HCOOH"	68.994688
"166982"	1915.56144	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+2K-H"	76.91904
"606539"	2834.88264	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+2K-H"	76.91904
"1093973"	996.24024	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2K-H"	76.91904
"150058"	958.284358	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"2M+2K"	77.926316
"583057"	1417.944958	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"3M+2K"	77.926316
"1075222"	498.623758	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2K"	77.926316
"1105152"	998.254792	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2K+H"	78.933592
"1336916"	998.342407	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+DMSO+H"	79.021207
"1014815"	1002.381576	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2ACN+H"	83.060376
"1530391"	1003.375208	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+IsoProp+Na+H"	84.054008
"996838"	501.694426	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+2ACN+2H"	84.067652
"1596807"	1004.289828	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+K+HCOOH"	84.968628
"1423559"	1034.321338	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+H+CF3COOH"	115.000138
"1154940"	522.207701	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+3ACN+2H"	125.094202
"1710694"	1051.347885	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+NH4+CF3COOH"	132.026685
"1644521"	1056.30328	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+Na+CF3COOH"	136.98208
"1584546"	1072.27722	"C18799"	"5-Methyl-H4SPT;5-Methyl-tetrahydrosarcinapterin;5-Methyltetrahydrosarcinapterin;N5-Methyl-tetrahydrosarcinapterin"	"C36H54N7O19P"	"919.3212"	"M+K+CF3COOH"	152.95602
"805071"	281.0819	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M"	0
"981882"	262.06351	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-H2O-H"	-19.01839
"70124"	186.380657333333	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M-3H"	-3.021828
"508597"	280.074624	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M-3H"	-3.021828
"888587"	92.6866906666667	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-3H"	-3.021828
"1694"	280.074624	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M-2H"	-2.014552
"443441"	420.615574	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M-2H"	-2.014552
"819056"	139.533674	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-2H"	-2.014552
"81233"	561.156524	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M-H"	-1.007276
"527362"	842.238424	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M-H"	-1.007276
"898601"	280.074624	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-H"	-1.007276
"55165"	578.183071	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M-2H+NH4"	16.019271
"495823"	859.264971	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M-2H+NH4"	16.019271
"875812"	297.101171	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-2H+NH4"	16.019271
"41527"	583.138466	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M-2H+Na"	20.974666
"482181"	864.220366	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M-2H+Na"	20.974666
"856699"	302.056566	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-2H+Na"	20.974666
"1622222"	302.056566	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Na-2H"	20.974666
"107745"	298.062963	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M-H+Cl"	33.962126
"544514"	438.603913	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M-H+Cl"	33.962126
"928549"	157.522013	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-H+Cl"	33.962126
"269657"	597.133202	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+Cl"	34.969402
"662805"	878.215102	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+Cl"	34.969402
"1275208"	316.051302	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Cl"	34.969402
"21779"	599.112406	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M-2H+K"	36.948606
"458783"	880.194306	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M-2H+K"	36.948606
"838048"	318.030506	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-2H+K"	36.948606
"1557163"	318.030506	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+K-2H"	36.948606
"943585"	326.080094	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-H+HCOOH"	44.998194
"363624"	607.162001	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+HCOOH-H"	44.998201
"347145"	621.177651	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+Hac-H"	59.013851
"1500351"	340.095751	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Hac-H"	59.013851
"967897"	348.062051	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-H+NaCOOH"	66.980151
"116803"	316.051302	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+2Cl"	69.938804
"559649"	456.592252	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+2Cl"	69.938804
"1033551"	175.510352	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2Cl"	69.938804
"1252400"	360.000785	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Br"	78.918885
"1316673"	362.056772	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Cl+HCOOH"	80.974872
"1332345"	384.038729	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Cl+NaCOOH"	102.956829
"923407"	394.067486	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M-H+CF3COOH"	112.985586
"1300112"	430.044164	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Cl+CF3COOH"	148.962264
"1379367"	246.069224	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H-2H2O"	-35.012676
"1393582"	264.0792	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H-H2O"	-17.0027
"297404"	563.171076	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+H"	1.007276
"688971"	844.252976	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+H"	1.007276
"1365318"	282.089176	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H"	1.007276
"140394"	282.089176	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+2H"	2.014552
"578863"	422.630126	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+2H"	2.014552
"1049850"	141.548226	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2H"	2.014552
"209006"	188.395209333333	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+3H"	3.021828
"648198"	282.089176	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+3H"	3.021828
"1169971"	94.7012426666667	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+3H"	3.021828
"431057"	580.197623	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+NH4"	18.033823
"792053"	861.279523	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+NH4"	18.033823
"1691664"	299.115723	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+NH4"	18.033823
"338848"	290.6024495	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+H+NH4"	19.041099
"726171"	431.1433995	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+H+NH4"	19.041099
"1486194"	150.0614995	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H+NH4"	19.041099
"403779"	585.153018	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+Na"	22.989218
"765870"	866.234918	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+Na"	22.989218
"1610692"	304.071118	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Na"	22.989218
"329124"	293.080147	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+H+Na"	23.996494
"721182"	433.621097	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+H+Na"	23.996494
"1476214"	152.539197	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H+Na"	23.996494
"1066417"	102.028556666667	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2H+Na"	25.00377
"1270284"	314.115386	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+CH3OH+H"	33.033486
"388857"	601.126958	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+K"	38.963158
"749852"	882.208858	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+K"	38.963158
"1547894"	320.045058	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+K"	38.963158
"301422"	301.067117	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+H+K"	39.970434
"693476"	441.608067	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+H+K"	39.970434
"1448025"	160.526167	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H+K"	39.970434
"242097"	604.197626	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+ACN+H"	42.033826
"1214804"	323.115726	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+ACN+H"	42.033826
"1208538"	162.061501	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+ACN+2H"	43.041102
"197032"	607.13496	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+2Na-H"	44.97116
"642794"	888.21686	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+2Na-H"	44.97116
"1145814"	326.05306	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2Na-H"	44.97116
"185213"	304.071118	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+2Na"	45.978436
"624776"	444.612068	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+2Na"	45.978436
"1125365"	163.530168	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2Na"	45.978436
"1405609"	109.355870666667	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H+2Na"	46.985712
"1435537"	328.094646	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H+HCOOH"	47.012746
"225230"	309.10414	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+3H2O+2H"	56.04448
"1515478"	342.14669	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+IsoProp+H"	61.06479
"415161"	312.058088	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+Na+K"	61.952376
"779439"	452.599038	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+Na+K"	61.952376
"1672491"	171.517138	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Na+K"	61.952376
"260103"	626.179568	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+ACN+Na"	64.015768
"1234998"	345.097668	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+ACN+Na"	64.015768
"1726069"	345.121193	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+NH4+HCOOH"	64.039293
"1189239"	116.683184666667	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+3Na"	68.967654
"1662412"	350.076588	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Na+HCOOH"	68.994688
"165995"	639.08284	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+2K-H"	76.91904
"603370"	920.16474	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+2K-H"	76.91904
"1090070"	358.00094	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2K-H"	76.91904
"150169"	320.045058	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"2M+2K"	77.926316
"584260"	460.586008	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"3M+2K"	77.926316
"1075335"	179.504108	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2K"	77.926316
"1105267"	360.015492	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2K+H"	78.933592
"1337272"	360.103107	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+DMSO+H"	79.021207
"1014556"	364.142276	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2ACN+H"	83.060376
"1530499"	365.135908	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+IsoProp+Na+H"	84.054008
"995850"	182.574776	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+2ACN+2H"	84.067652
"1590353"	366.050528	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+K+HCOOH"	84.968628
"1419293"	396.082038	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+H+CF3COOH"	115.000138
"1155050"	203.088051	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+3ACN+2H"	125.094202
"1710075"	413.108585	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+NH4+CF3COOH"	132.026685
"1644631"	418.06398	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+Na+CF3COOH"	136.98208
"1584656"	434.03792	"C18800"	"Ofurace"	"C14H16ClNO3"	"281.0819"	"M+K+CF3COOH"	152.95602
"811741"	283.0643	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M"	0
"981992"	264.04591	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-H2O-H"	-19.01839
"68047"	187.702257333333	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M-3H"	-3.021828
"506520"	282.057024	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M-3H"	-3.021828
"885417"	93.3474906666667	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-3H"	-3.021828
"1804"	282.057024	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M-2H"	-2.014552
"441365"	423.589174	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M-2H"	-2.014552
"819166"	140.524874	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-2H"	-2.014552
"82436"	565.121324	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M-H"	-1.007276
"529658"	848.185624	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M-H"	-1.007276
"898711"	282.057024	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-H"	-1.007276
"50900"	582.147871	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M-2H+NH4"	16.019271
"500795"	865.212171	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M-2H+NH4"	16.019271
"874828"	299.083571	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-2H+NH4"	16.019271
"42730"	587.103266	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M-2H+Na"	20.974666
"483382"	870.167566	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M-2H+Na"	20.974666
"854622"	304.038966	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-2H+Na"	20.974666
"1622332"	304.038966	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Na-2H"	20.974666
"106153"	300.045363	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M-H+Cl"	33.962126
"544624"	441.577513	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M-H+Cl"	33.962126
"930483"	158.513213	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-H+Cl"	33.962126
"270131"	601.098002	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+Cl"	34.969402
"662919"	884.162302	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+Cl"	34.969402
"1275686"	318.033702	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Cl"	34.969402
"24076"	603.077206	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M-2H+K"	36.948606
"460356"	886.141506	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M-2H+K"	36.948606
"838157"	320.012906	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-2H+K"	36.948606
"1556180"	320.012906	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+K-2H"	36.948606
"945155"	328.062494	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-H+HCOOH"	44.998194
"362398"	611.126801	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+HCOOH-H"	44.998201
"349442"	625.142451	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+Hac-H"	59.013851
"1494993"	342.078151	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Hac-H"	59.013851
"966914"	350.044451	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-H+NaCOOH"	66.980151
"116913"	318.033702	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+2Cl"	69.938804
"556479"	459.565852	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+2Cl"	69.938804
"1031839"	176.501552	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2Cl"	69.938804
"1251417"	361.983185	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Br"	78.918885
"1314961"	364.039172	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Cl+HCOOH"	80.974872
"1332455"	386.021129	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Cl+NaCOOH"	102.956829
"922424"	396.049886	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M-H+CF3COOH"	112.985586
"1296942"	432.026564	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Cl+CF3COOH"	148.962264
"1379477"	248.051624	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H-2H2O"	-35.012676
"1392599"	266.0616	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H-H2O"	-17.0027
"295202"	567.135876	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+H"	1.007276
"687987"	850.200176	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+H"	1.007276
"1365430"	284.071576	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H"	1.007276
"140386"	284.071576	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+2H"	2.014552
"580069"	425.603726	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+2H"	2.014552
"1051058"	142.539426	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2H"	2.014552
"209115"	189.716809333333	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+3H"	3.021828
"650132"	284.071576	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+3H"	3.021828
"1168988"	95.3620426666667	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+3H"	3.021828
"431168"	584.162423	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+NH4"	18.033823
"797267"	867.226723	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+NH4"	18.033823
"1693962"	301.098123	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+NH4"	18.033823
"341874"	292.5848495	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+H+NH4"	19.041099
"725548"	434.1169995	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+H+NH4"	19.041099
"1485211"	151.0526995	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H+NH4"	19.041099
"403889"	589.117818	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+Na"	22.989218
"765980"	872.182118	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+Na"	22.989218
"1615174"	306.053518	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Na"	22.989218
"329231"	295.062547	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+H+Na"	23.996494
"721049"	436.594697	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+H+Na"	23.996494
"1475470"	153.530397	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H+Na"	23.996494
"1068031"	102.689356666667	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2H+Na"	25.00377
"1270758"	316.097786	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+CH3OH+H"	33.033486
"387144"	605.091758	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+K"	38.963158
"752513"	888.156058	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+K"	38.963158
"1548003"	322.027458	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+K"	38.963158
"301532"	303.049517	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+H+K"	39.970434
"693222"	444.581667	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+H+K"	39.970434
"1448136"	161.517367	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H+K"	39.970434
"242206"	608.162426	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+ACN+H"	42.033826
"1214914"	325.098126	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+ACN+H"	42.033826
"1207191"	163.052701	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+ACN+2H"	43.041102
"200421"	611.09976	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+2Na-H"	44.97116
"642538"	894.16406	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+2Na-H"	44.97116
"1146127"	328.03546	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2Na-H"	44.97116
"186781"	306.053518	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+2Na"	45.978436
"625250"	447.585668	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+2Na"	45.978436
"1128755"	164.521368	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2Na"	45.978436
"1407905"	110.016670666667	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H+2Na"	46.985712
"1440021"	330.077046	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H+HCOOH"	47.012746
"227527"	311.08654	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+3H2O+2H"	56.04448
"1518866"	344.12909	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+IsoProp+H"	61.06479
"418552"	314.040488	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+Na+K"	61.952376
"782465"	455.572638	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+Na+K"	61.952376
"1678067"	172.508338	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Na+K"	61.952376
"264952"	630.144368	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+ACN+Na"	64.015768
"1238388"	347.080068	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+ACN+Na"	64.015768
"1727638"	347.103593	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+NH4+HCOOH"	64.039293
"1190441"	117.343984666667	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+3Na"	68.967654
"1663980"	352.058988	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Na+HCOOH"	68.994688
"168293"	643.04764	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+2K-H"	76.91904
"602388"	926.11194	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+2K-H"	76.91904
"1091275"	359.98334	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2K-H"	76.91904
"152465"	322.027458	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"2M+2K"	77.926316
"586558"	463.559608	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"3M+2K"	77.926316
"1073259"	180.495308	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2K"	77.926316
"1104283"	361.997892	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2K+H"	78.933592
"1340662"	362.085507	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+DMSO+H"	79.021207
"1011386"	366.124676	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2ACN+H"	83.060376
"1530609"	367.118308	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+IsoProp+Na+H"	84.054008
"994867"	183.565976	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+2ACN+2H"	84.067652
"1592650"	368.032928	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+K+HCOOH"	84.968628
"1420497"	398.064438	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+H+CF3COOH"	115.000138
"1155160"	204.079251	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+3ACN+2H"	125.094202
"1709091"	415.090985	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+NH4+CF3COOH"	132.026685
"1642554"	420.04638	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+Na+CF3COOH"	136.98208
"1584766"	436.02032	"C18801"	"Penconazole"	"C13H15Cl2N3"	"283.0643"	"M+K+CF3COOH"	152.95602
"805291"	905.3056	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M"	0
"982102"	886.28721	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-H2O-H"	-19.01839
"68157"	602.529790666667	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M-3H"	-3.021828
"507723"	904.298324	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M-3H"	-3.021828
"885527"	300.761257333333	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-3H"	-3.021828
"821"	904.298324	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M-2H"	-2.014552
"442568"	1356.951124	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M-2H"	-2.014552
"821463"	451.645524	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-2H"	-2.014552
"83640"	1809.603924	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M-H"	-1.007276
"526489"	2714.909524	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M-H"	-1.007276
"898821"	904.298324	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-H"	-1.007276
"51010"	1826.630471	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M-2H+NH4"	16.019271
"500418"	2731.936071	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M-2H+NH4"	16.019271
"873844"	921.324871	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-2H+NH4"	16.019271
"43932"	1831.585866	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M-2H+Na"	20.974666
"479117"	2736.891466	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M-2H+Na"	20.974666
"853639"	926.280266	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-2H+Na"	20.974666
"1621713"	926.280266	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Na-2H"	20.974666
"106263"	922.286663	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M-H+Cl"	33.962126
"542547"	1374.939463	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M-H+Cl"	33.962126
"930593"	469.633863	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-H+Cl"	33.962126
"270243"	1845.580602	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+Cl"	34.969402
"663029"	2750.886202	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+Cl"	34.969402
"1276161"	940.275002	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Cl"	34.969402
"18717"	1847.559806	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M-2H+K"	36.948606
"460462"	2752.865406	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M-2H+K"	36.948606
"838266"	942.254206	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-2H+K"	36.948606
"1558476"	942.254206	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+K-2H"	36.948606
"943199"	950.303794	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-H+HCOOH"	44.998194
"361900"	1855.609401	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+HCOOH-H"	44.998201
"349552"	1869.625051	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+Hac-H"	59.013851
"1495467"	964.319451	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Hac-H"	59.013851
"963742"	972.285751	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-H+NaCOOH"	66.980151
"114107"	940.275002	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+2Cl"	69.938804
"557682"	1392.927802	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+2Cl"	69.938804
"1034136"	487.622202	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2Cl"	69.938804
"1254444"	984.224485	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Br"	78.918885
"1316163"	986.280472	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Cl+HCOOH"	80.974872
"1334511"	1008.262429	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Cl+NaCOOH"	102.956829
"921441"	1018.291186	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M-H+CF3COOH"	112.985586
"1299239"	1054.267864	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Cl+CF3COOH"	148.962264
"1378494"	870.292924	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H-2H2O"	-35.012676
"1393803"	888.3029	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H-H2O"	-17.0027
"295676"	1811.618476	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+H"	1.007276
"687004"	2716.924076	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+H"	1.007276
"1364444"	906.312876	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H"	1.007276
"140252"	906.312876	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+2H"	2.014552
"579817"	1358.965676	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+2H"	2.014552
"1049347"	453.660076	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2H"	2.014552
"209225"	604.544342666667	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+3H"	3.021828
"649878"	906.312876	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+3H"	3.021828
"1169099"	302.775809333333	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+3H"	3.021828
"430549"	1828.645023	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+NH4"	18.033823
"798469"	2733.950623	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+NH4"	18.033823
"1693708"	923.339423	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+NH4"	18.033823
"337977"	914.8261495	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+H+NH4"	19.041099
"724928"	1367.4789495	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+H+NH4"	19.041099
"1478147"	462.1733495	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H+NH4"	19.041099
"399626"	1833.600418	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+Na"	22.989218
"763904"	2738.906018	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+Na"	22.989218
"1614191"	928.294818	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Na"	22.989218
"328974"	917.303847	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+H+Na"	23.996494
"722337"	1369.956647	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+H+Na"	23.996494
"1475580"	464.651047	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H+Na"	23.996494
"1068096"	310.103123333333	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2H+Na"	25.00377
"1271597"	938.339086	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+CH3OH+H"	33.033486
"392479"	1849.574358	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+K"	38.963158
"749343"	2754.879958	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+K"	38.963158
"1550300"	944.268758	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+K"	38.963158
"301278"	925.290817	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+H+K"	39.970434
"692601"	1377.943617	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+H+K"	39.970434
"1447515"	472.638017	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H+K"	39.970434
"242316"	1852.645026	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+ACN+H"	42.033826
"1215024"	947.339426	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+ACN+H"	42.033826
"1206207"	474.173351	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+ACN+2H"	43.041102
"201624"	1855.58236	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+2Na-H"	44.97116
"641555"	2760.88796	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+2Na-H"	44.97116
"1145913"	950.27676	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2Na-H"	44.97116
"184703"	928.294818	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+2Na"	45.978436
"622080"	1380.947618	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+2Na"	45.978436
"1127772"	475.642018	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2Na"	45.978436
"1404736"	317.430437333333	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H+2Na"	46.985712
"1435758"	952.318346	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H+HCOOH"	47.012746
"225451"	933.32784	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+3H2O+2H"	56.04448
"1517883"	966.37039	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+IsoProp+H"	61.06479
"416477"	936.281788	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+Na+K"	61.952376
"781846"	1388.934588	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+Na+K"	61.952376
"1678177"	483.628988	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Na+K"	61.952376
"266035"	1874.626968	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+ACN+Na"	64.015768
"1237405"	969.321368	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+ACN+Na"	64.015768
"1727385"	969.344893	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+NH4+HCOOH"	64.039293
"1192738"	324.757751333333	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+3Na"	68.967654
"1663729"	974.300288	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Na+HCOOH"	68.994688
"169499"	1887.53024	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+2K-H"	76.91904
"601405"	2792.83584	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+2K-H"	76.91904
"1091385"	982.22464	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2K-H"	76.91904
"151482"	944.268758	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"2M+2K"	77.926316
"586668"	1396.921558	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"3M+2K"	77.926316
"1072275"	491.615958	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2K"	77.926316
"1105485"	984.239192	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2K+H"	78.933592
"1346241"	984.326807	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+DMSO+H"	79.021207
"1011496"	988.365976	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2ACN+H"	83.060376
"1530719"	989.359608	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+IsoProp+Na+H"	84.054008
"994977"	494.686626	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+2ACN+2H"	84.067652
"1593853"	990.274228	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+K+HCOOH"	84.968628
"1421701"	1020.305738	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+H+CF3COOH"	115.000138
"1154177"	515.199901	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+3ACN+2H"	125.094202
"1709201"	1037.332285	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+NH4+CF3COOH"	132.026685
"1640478"	1042.28768	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+Na+CF3COOH"	136.98208
"1584876"	1058.26162	"C18802"	"Tetrahydrosarcinapterin;H4SPT;5678-Tetrahydrosarcinapterin"	"C35H52N7O19P"	"905.3056"	"M+K+CF3COOH"	152.95602
"808681"	378.1169	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M"	0
"982212"	359.09851	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-H2O-H"	-19.01839
"72640"	251.070657333333	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M-3H"	-3.021828
"510020"	377.109624	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M-3H"	-3.021828
"885637"	125.031690666667	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-3H"	-3.021828
"3117"	377.109624	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M-2H"	-2.014552
"443771"	566.168074	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M-2H"	-2.014552
"825947"	188.051174	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-2H"	-2.014552
"87031"	755.226524	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M-H"	-1.007276
"528786"	1133.343424	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M-H"	-1.007276
"898566"	377.109624	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-H"	-1.007276
"51484"	772.253071	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M-2H+NH4"	16.019271
"497246"	1150.369971	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M-2H+NH4"	16.019271
"869942"	394.136171	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-2H+NH4"	16.019271
"38574"	777.208466	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M-2H+Na"	20.974666
"473759"	1155.325366	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M-2H+Na"	20.974666
"851560"	399.091566	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-2H+Na"	20.974666
"1620361"	399.091566	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Na-2H"	20.974666
"104185"	395.097963	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M-H+Cl"	33.962126
"534711"	584.156413	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M-H+Cl"	33.962126
"928147"	206.039513	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-H+Cl"	33.962126
"270348"	791.203202	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+Cl"	34.969402
"667148"	1169.320102	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+Cl"	34.969402
"1277363"	413.086302	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Cl"	34.969402
"19922"	793.182406	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M-2H+K"	36.948606
"459481"	1171.299306	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M-2H+K"	36.948606
"838377"	415.065506	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-2H+K"	36.948606
"1558589"	415.065506	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+K-2H"	36.948606
"943231"	423.115094	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-H+HCOOH"	44.998194
"362619"	801.232001	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+HCOOH-H"	44.998201
"347475"	815.247651	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+Hac-H"	59.013851
"1497400"	437.130751	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Hac-H"	59.013851
"966040"	445.097051	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-H+NaCOOH"	66.980151
"120414"	413.086302	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+2Cl"	69.938804
"558884"	602.144752	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+2Cl"	69.938804
"1033152"	224.027852	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2Cl"	69.938804
"1252729"	457.035785	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Br"	78.918885
"1314087"	459.091772	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Cl+HCOOH"	80.974872
"1332674"	481.073729	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Cl+NaCOOH"	102.956829
"919364"	491.102486	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M-H+CF3COOH"	112.985586
"1299349"	527.079164	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Cl+CF3COOH"	148.962264
"1377511"	343.104224	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H-2H2O"	-35.012676
"1397318"	361.1142	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H-H2O"	-17.0027
"297613"	757.241076	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+H"	1.007276
"688209"	1135.357976	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+H"	1.007276
"1365527"	379.124176	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H"	1.007276
"139633"	379.124176	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+2H"	2.014552
"579564"	568.182626	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+2H"	2.014552
"1050184"	190.065726	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2H"	2.014552
"207148"	253.085209333333	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+3H"	3.021828
"650352"	379.124176	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+3H"	3.021828
"1169209"	127.046242666667	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+3H"	3.021828
"430295"	774.267623	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+NH4"	18.033823
"796757"	1152.384523	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+NH4"	18.033823
"1692723"	396.150723	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+NH4"	18.033823
"340273"	387.6374495	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+H+NH4"	19.041099
"724307"	576.6958995	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+H+NH4"	19.041099
"1478138"	198.5789995	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H+NH4"	19.041099
"398642"	779.223018	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+Na"	22.989218
"762918"	1157.339918	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+Na"	22.989218
"1609923"	401.106118	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Na"	22.989218
"327990"	390.115147	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+H+Na"	23.996494
"722487"	579.173597	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+H+Na"	23.996494
"1476058"	201.056697	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H+Na"	23.996494
"1068250"	134.373556666667	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2H+Na"	25.00377
"1271710"	411.150386	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+CH3OH+H"	33.033486
"390283"	795.196958	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+K"	38.963158
"752739"	1173.313858	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+K"	38.963158
"1553695"	417.080058	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+K"	38.963158
"310869"	398.102117	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+H+K"	39.970434
"697818"	587.160567	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+H+K"	39.970434
"1452731"	209.043667	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H+K"	39.970434
"245709"	798.267626	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+ACN+H"	42.033826
"1216230"	420.150726	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+ACN+H"	42.033826
"1207776"	210.579001	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+ACN+2H"	43.041102
"198097"	801.20496	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+2Na-H"	44.97116
"639850"	1179.32186	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+2Na-H"	44.97116
"1144811"	423.08806	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2Na-H"	44.97116
"186644"	401.106118	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+2Na"	45.978436
"626566"	590.164568	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+2Na"	45.978436
"1127155"	212.047668	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2Na"	45.978436
"1405940"	141.700870666667	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H+2Na"	46.985712
"1440972"	425.129646	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H+HCOOH"	47.012746
"226289"	406.13914	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+3H2O+2H"	56.04448
"1517996"	439.18169	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+IsoProp+H"	61.06479
"418775"	409.093088	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+Na+K"	61.952376
"780863"	598.151538	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+Na+K"	61.952376
"1679380"	220.034638	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Na+K"	61.952376
"265901"	820.249568	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+ACN+Na"	64.015768
"1238974"	442.132668	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+ACN+Na"	64.015768
"1726042"	442.156193	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+NH4+HCOOH"	64.039293
"1189936"	149.028184666667	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+3Na"	68.967654
"1660559"	447.111588	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Na+HCOOH"	68.994688
"169611"	833.15284	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+2K-H"	76.91904
"605524"	1211.26974	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+2K-H"	76.91904
"1093682"	455.03594	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2K-H"	76.91904
"152320"	417.080058	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"2M+2K"	77.926316
"584591"	606.138508	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"3M+2K"	77.926316
"1075666"	228.021608	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2K"	77.926316
"1107417"	457.050492	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2K+H"	78.933592
"1343074"	457.138107	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+DMSO+H"	79.021207
"1010513"	461.177276	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2ACN+H"	83.060376
"1530830"	462.170908	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+IsoProp+Na+H"	84.054008
"996180"	231.092276	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+2ACN+2H"	84.067652
"1598338"	463.085528	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+K+HCOOH"	84.968628
"1419627"	493.117038	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+H+CF3COOH"	115.000138
"1154290"	251.605551	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+3ACN+2H"	125.094202
"1702750"	510.143585	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+NH4+CF3COOH"	132.026685
"1635119"	515.09898	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+Na+CF3COOH"	136.98208
"1584986"	531.07292	"C18803"	"Pyridate"	"C19H23ClN2O2S"	"378.1169"	"M+K+CF3COOH"	152.95602
"805511"	294.0327	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M"	0
"982322"	275.01431	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-H2O-H"	-19.01839
"71657"	195.014524	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M-3H"	-3.021828
"513410"	293.025424	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M-3H"	-3.021828
"885747"	97.003624	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-3H"	-3.021828
"2134"	293.025424	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M-2H"	-2.014552
"442786"	440.041774	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M-2H"	-2.014552
"821682"	146.009074	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-2H"	-2.014552
"84953"	587.058124	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M-H"	-1.007276
"527802"	881.090824	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M-H"	-1.007276
"901228"	293.025424	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-H"	-1.007276
"51958"	604.084671	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M-2H+NH4"	16.019271
"495169"	898.117371	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M-2H+NH4"	16.019271
"867500"	310.051971	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-2H+NH4"	16.019271
"38684"	609.040066	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M-2H+Na"	20.974666
"474597"	903.072766	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M-2H+Na"	20.974666
"851670"	315.007366	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-2H+Na"	20.974666
"1620107"	315.007366	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Na-2H"	20.974666
"104295"	311.013763	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M-H+Cl"	33.962126
"535108"	458.030113	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M-H+Cl"	33.962126
"927892"	163.997413	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-H+Cl"	33.962126
"270458"	623.034802	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+Cl"	34.969402
"662518"	917.067502	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+Cl"	34.969402
"1277474"	329.002102	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Cl"	34.969402
"17846"	625.014006	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M-2H+K"	36.948606
"457768"	919.046706	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M-2H+K"	36.948606
"838487"	330.981306	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-2H+K"	36.948606
"1556877"	330.981306	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+K-2H"	36.948606
"943420"	339.030894	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-H+HCOOH"	44.998194
"361997"	633.063601	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+HCOOH-H"	44.998201
"346613"	647.079251	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+Hac-H"	59.013851
"1497510"	353.046551	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Hac-H"	59.013851
"966150"	361.012851	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-H+NaCOOH"	66.980151
"115057"	329.002102	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+2Cl"	69.938804
"555713"	476.018452	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+2Cl"	69.938804
"1031071"	181.985752	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2Cl"	69.938804
"1252837"	372.951585	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Br"	78.918885
"1318693"	375.007572	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Cl+HCOOH"	80.974872
"1333758"	396.989529	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Cl+NaCOOH"	102.956829
"921662"	407.018286	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M-H+CF3COOH"	112.985586
"1299459"	442.994964	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Cl+CF3COOH"	148.962264
"1380538"	259.020024	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H-2H2O"	-35.012676
"1396210"	277.03	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H-H2O"	-17.0027
"297962"	589.072676	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+H"	1.007276
"690384"	883.105376	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+H"	1.007276
"1363574"	295.039976	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H"	1.007276
"141260"	295.039976	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+2H"	2.014552
"580885"	442.056326	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+2H"	2.014552
"1050660"	148.023626	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2H"	2.014552
"209809"	197.029076	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+3H"	3.021828
"655566"	295.039976	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+3H"	3.021828
"1171507"	99.018176	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+3H"	3.021828
"432954"	606.099223	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+NH4"	18.033823
"795774"	900.131923	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+NH4"	18.033823
"1691013"	312.066523	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+NH4"	18.033823
"343664"	303.5532495	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+H+NH4"	19.041099
"727698"	450.5695995	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+H+NH4"	19.041099
"1480069"	156.5368995	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H+NH4"	19.041099
"394379"	611.054618	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+Na"	22.989218
"760841"	905.087318	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+Na"	22.989218
"1610033"	317.021918	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Na"	22.989218
"315696"	306.030947	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+H+Na"	23.996494
"712496"	453.047297	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+H+Na"	23.996494
"1465221"	159.014597	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H+Na"	23.996494
"1054456"	106.34549	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2H+Na"	25.00377
"1263426"	327.066186	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+CH3OH+H"	33.033486
"389301"	627.028558	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+K"	38.963158
"750295"	921.061258	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+K"	38.963158
"1553076"	332.995858	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+K"	38.963158
"303324"	314.017917	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+H+K"	39.970434
"696837"	461.034267	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+H+K"	39.970434
"1452843"	167.001567	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H+K"	39.970434
"246918"	630.099226	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+ACN+H"	42.033826
"1223272"	336.066526	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+ACN+H"	42.033826
"1207645"	168.536901	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+ACN+2H"	43.041102
"202096"	633.03656	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+2Na-H"	44.97116
"641782"	927.06926	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+2Na-H"	44.97116
"1144069"	339.00386	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2Na-H"	44.97116
"183835"	317.021918	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+2Na"	45.978436
"622303"	464.038268	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+2Na"	45.978436
"1122527"	170.005568	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2Na"	45.978436
"1402769"	113.672804	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H+2Na"	46.985712
"1434154"	341.045446	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H+HCOOH"	47.012746
"226763"	322.05494	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+3H2O+2H"	56.04448
"1513733"	355.09749	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+IsoProp+H"	61.06479
"415604"	325.008888	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+Na+K"	61.952376
"777693"	472.025238	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+Na+K"	61.952376
"1677305"	177.992538	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Na+K"	61.952376
"264188"	652.081168	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+ACN+Na"	64.015768
"1237626"	358.048468	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+ACN+Na"	64.015768
"1726878"	358.071993	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+NH4+HCOOH"	64.039293
"1192595"	121.000118	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+3Na"	68.967654
"1661762"	363.027388	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Na+HCOOH"	68.994688
"170450"	664.98444	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+2K-H"	76.91904
"605634"	959.01714	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+2K-H"	76.91904
"1091604"	370.95174	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2K-H"	76.91904
"154981"	332.995858	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"2M+2K"	77.926316
"585794"	480.012208	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"3M+2K"	77.926316
"1074681"	185.979508	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2K"	77.926316
"1108984"	372.966292	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2K+H"	78.933592
"1345367"	373.053907	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+DMSO+H"	79.021207
"1010623"	377.093076	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2ACN+H"	83.060376
"1530940"	378.086708	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+IsoProp+Na+H"	84.054008
"997386"	189.050176	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+2ACN+2H"	84.067652
"1594078"	379.001328	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+K+HCOOH"	84.968628
"1420833"	409.032838	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+H+CF3COOH"	115.000138
"1154401"	209.563451	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+3ACN+2H"	125.094202
"1705047"	426.059385	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+NH4+CF3COOH"	132.026685
"1643977"	431.01478	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+Na+CF3COOH"	136.98208
"1571483"	446.98872	"C18804"	"Pyrifenox"	"C14H12Cl2N2O"	"294.0327"	"M+K+CF3COOH"	152.95602
"805622"	347.9948	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M"	0
"976967"	328.97641	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-H2O-H"	-19.01839
"68489"	230.989257333333	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M-3H"	-3.021828
"510240"	346.987524	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M-3H"	-3.021828
"883670"	114.990990666667	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-3H"	-3.021828
"1272"	346.987524	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M-2H"	-2.014552
"445082"	520.984924	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M-2H"	-2.014552
"822885"	172.990124	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-2H"	-2.014552
"86155"	694.982324	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M-H"	-1.007276
"529005"	1042.977124	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M-H"	-1.007276
"898786"	346.987524	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-H"	-1.007276
"51339"	712.008871	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M-2H+NH4"	16.019271
"496372"	1060.003671	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M-2H+NH4"	16.019271
"867974"	364.014071	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-2H+NH4"	16.019271
"36607"	716.964266	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M-2H+Na"	20.974666
"475072"	1064.959066	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M-2H+Na"	20.974666
"851414"	368.969466	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-2H+Na"	20.974666
"1619851"	368.969466	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Na-2H"	20.974666
"104405"	364.975863	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M-H+Cl"	33.962126
"536312"	538.973263	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M-H+Cl"	33.962126
"927759"	190.978463	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-H+Cl"	33.962126
"270203"	730.959002	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+Cl"	34.969402
"661535"	1078.953802	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+Cl"	34.969402
"1279770"	382.964202	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Cl"	34.969402
"17953"	732.938206	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M-2H+K"	36.948606
"458606"	1080.933006	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M-2H+K"	36.948606
"833855"	384.943406	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-2H+K"	36.948606
"1559900"	384.943406	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+K-2H"	36.948606
"946687"	392.992994	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-H+HCOOH"	44.998194
"362594"	740.987801	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+HCOOH-H"	44.998201
"346598"	755.003451	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+Hac-H"	59.013851
"1494339"	407.008651	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Hac-H"	59.013851
"961885"	414.974951	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-H+NaCOOH"	66.980151
"113343"	382.964202	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+2Cl"	69.938804
"553636"	556.961602	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+2Cl"	69.938804
"1027901"	208.966802	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2Cl"	69.938804
"1251853"	426.913685	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Br"	78.918885
"1318312"	428.969672	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Cl+HCOOH"	80.974872
"1330706"	450.951629	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Cl+NaCOOH"	102.956829
"919580"	460.980386	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M-H+CF3COOH"	112.985586
"1300665"	496.957064	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Cl+CF3COOH"	148.962264
"1381012"	312.982124	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H-2H2O"	-35.012676
"1393040"	330.9921	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H-H2O"	-17.0027
"294914"	696.996876	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+H"	1.007276
"688429"	1044.991676	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+H"	1.007276
"1362591"	349.002076	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H"	1.007276
"140216"	349.002076	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+2H"	2.014552
"569575"	522.999476	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+2H"	2.014552
"1048214"	175.004676	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2H"	2.014552
"207003"	233.003809333333	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+3H"	3.021828
"651305"	349.002076	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+3H"	3.021828
"1170523"	117.005542666667	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+3H"	3.021828
"431970"	714.023423	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+NH4"	18.033823
"795883"	1062.018223	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+NH4"	18.033823
"1691120"	366.028623	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+NH4"	18.033823
"338306"	357.5153495	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+H+NH4"	19.041099
"725623"	531.5127495	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+H+NH4"	19.041099
"1478356"	183.5179495	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H+NH4"	19.041099
"395582"	718.978818	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+Na"	22.989218
"764234"	1066.973618	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+Na"	22.989218
"1609050"	370.984018	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Na"	22.989218
"316170"	359.993047	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+H+Na"	23.996494
"712606"	533.990447	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+H+Na"	23.996494
"1465695"	185.995647	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H+Na"	23.996494
"1055659"	124.332856666667	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2H+Na"	25.00377
"1263536"	381.028286	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+CH3OH+H"	33.033486
"379558"	734.952758	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+K"	38.963158
"746388"	1082.947558	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+K"	38.963158
"1549536"	386.957958	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+K"	38.963158
"305617"	367.980017	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+H+K"	39.970434
"696943"	541.977417	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+H+K"	39.970434
"1452953"	193.982617	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H+K"	39.970434
"246663"	738.023426	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+ACN+H"	42.033826
"1221559"	390.028626	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+ACN+H"	42.033826
"1208483"	195.517951	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+ACN+2H"	43.041102
"203178"	740.96076	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+2Na-H"	44.97116
"641893"	1088.95556	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+2Na-H"	44.97116
"1144664"	392.96596	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2Na-H"	44.97116
"183945"	370.984018	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+2Na"	45.978436
"623507"	544.981418	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+2Na"	45.978436
"1124825"	196.986618	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2Na"	45.978436
"1406160"	131.660170666667	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H+2Na"	46.985712
"1432808"	395.007546	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H+HCOOH"	47.012746
"223595"	376.01704	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+3H2O+2H"	56.04448
"1514937"	409.05959	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+IsoProp+H"	61.06479
"416810"	378.970988	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+Na+K"	61.952376
"775252"	552.968388	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+Na+K"	61.952376
"1674134"	204.973588	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Na+K"	61.952376
"265026"	760.005368	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+ACN+Na"	64.015768
"1238464"	412.010568	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+ACN+Na"	64.015768
"1726260"	412.034093	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+NH4+HCOOH"	64.039293
"1191614"	138.987484666667	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+3Na"	68.967654
"1661508"	416.989488	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Na+HCOOH"	68.994688
"170557"	772.90864	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+2K-H"	76.91904
"607930"	1120.90344	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+2K-H"	76.91904
"1093172"	424.91384	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2K-H"	76.91904
"153268"	386.957958	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"2M+2K"	77.926316
"584811"	560.955358	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"3M+2K"	77.926316
"1075882"	212.960558	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2K"	77.926316
"1109093"	426.928392	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2K+H"	78.933592
"1343292"	427.016007	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+DMSO+H"	79.021207
"1016203"	431.055176	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2ACN+H"	83.060376
"1529955"	432.048808	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+IsoProp+Na+H"	84.054008
"994218"	216.031226	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+2ACN+2H"	84.067652
"1594188"	432.963428	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+K+HCOOH"	84.968628
"1420940"	462.994938	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+H+CF3COOH"	115.000138
"1153415"	236.544501	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+3ACN+2H"	125.094202
"1706251"	480.021485	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+NH4+CF3COOH"	132.026685
"1640808"	484.97688	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+Na+CF3COOH"	136.98208
"1585206"	500.95082	"C18805"	"Pyrithiobac-sodium;Pyrithiobac sodium"	"C13H10ClN2O4SNa"	"347.9948"	"M+K+CF3COOH"	152.95602
"805732"	240.9697	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M"	0
"975984"	221.95131	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-H2O-H"	-19.01839
"68599"	159.639190666667	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M-3H"	-3.021828
"512537"	239.962424	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M-3H"	-3.021828
"887060"	79.3159573333333	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-3H"	-3.021828
"5634"	239.962424	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M-2H"	-2.014552
"444100"	360.447274	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M-2H"	-2.014552
"821902"	119.477574	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-2H"	-2.014552
"86265"	480.932124	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M-H"	-1.007276
"522919"	721.901824	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M-H"	-1.007276
"898896"	239.962424	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-H"	-1.007276
"48287"	497.958671	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M-2H+NH4"	16.019271
"489552"	738.928371	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M-2H+NH4"	16.019271
"870271"	256.988971	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-2H+NH4"	16.019271
"38904"	502.914066	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M-2H+Na"	20.974666
"473600"	743.883766	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M-2H+Na"	20.974666
"851888"	261.944366	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-2H+Na"	20.974666
"1619840"	261.944366	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Na-2H"	20.974666
"104515"	257.950763	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M-H+Cl"	33.962126
"537514"	378.435613	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M-H+Cl"	33.962126
"929326"	137.465913	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-H+Cl"	33.962126
"271043"	516.908802	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+Cl"	34.969402
"662374"	757.878502	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+Cl"	34.969402
"1279881"	275.939102	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Cl"	34.969402
"18792"	518.888006	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M-2H+K"	36.948606
"460903"	759.857706	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M-2H+K"	36.948606
"833601"	277.918306	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-2H+K"	36.948606
"1556971"	277.918306	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+K-2H"	36.948606
"945704"	285.967894	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-H+HCOOH"	44.998194
"365013"	526.937601	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+HCOOH-H"	44.998201
"346953"	540.953251	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+Hac-H"	59.013851
"1496635"	299.983551	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Hac-H"	59.013851
"961264"	307.949851	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-H+NaCOOH"	66.980151
"112723"	275.939102	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+2Cl"	69.938804
"552650"	396.423952	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+2Cl"	69.938804
"1028011"	155.454252	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2Cl"	69.938804
"1250869"	319.888585	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Br"	78.918885
"1318786"	321.944572	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Cl+HCOOH"	80.974872
"1333000"	343.926529	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Cl+NaCOOH"	102.956829
"925882"	353.955286	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M-H+CF3COOH"	112.985586
"1300770"	389.931964	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Cl+CF3COOH"	148.962264
"1380026"	205.957024	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H-2H2O"	-35.012676
"1389870"	223.967	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H-H2O"	-17.0027
"292835"	482.946676	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+H"	1.007276
"688902"	723.916376	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+H"	1.007276
"1358326"	241.976976	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H"	1.007276
"136681"	241.976976	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+2H"	2.014552
"572963"	362.461826	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+2H"	2.014552
"1048325"	121.492126	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2H"	2.014552
"206748"	161.653742666667	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+3H"	3.021828
"647036"	241.976976	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+3H"	3.021828
"1165890"	81.3305093333333	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+3H"	3.021828
"429161"	499.973223	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+NH4"	18.033823
"790157"	740.942923	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+NH4"	18.033823
"1685396"	259.003523	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+NH4"	18.033823
"335498"	250.4902495	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+H+NH4"	19.041099
"724999"	370.9750995	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+H+NH4"	19.041099
"1479560"	130.0053995	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H+NH4"	19.041099
"395692"	504.928618	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+Na"	22.989218
"764342"	745.898318	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+Na"	22.989218
"1608066"	263.958918	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Na"	22.989218
"314815"	252.967947	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+H+Na"	23.996494
"712715"	373.452797	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+H+Na"	23.996494
"1462156"	132.483097	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H+Na"	23.996494
"1052844"	88.6578233333333	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2H+Na"	25.00377
"1258783"	274.003186	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+CH3OH+H"	33.033486
"377356"	520.902558	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+K"	38.963158
"743217"	761.872258	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+K"	38.963158
"1546366"	279.932858	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+K"	38.963158
"305727"	260.954917	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+H+K"	39.970434
"694138"	381.439767	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+H+K"	39.970434
"1449779"	140.470067	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H+K"	39.970434
"237286"	523.973226	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+ACN+H"	42.033826
"1222033"	283.003526	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+ACN+H"	42.033826
"1207985"	142.005401	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+ACN+2H"	43.041102
"203289"	526.91056	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+2Na-H"	44.97116
"642368"	767.88026	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+2Na-H"	44.97116
"1145145"	285.94086	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2Na-H"	44.97116
"186970"	263.958918	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+2Na"	45.978436
"626776"	384.443768	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+2Na"	45.978436
"1126029"	143.474068	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2Na"	45.978436
"1406270"	95.9851373333333	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H+2Na"	46.985712
"1435104"	287.982446	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H+HCOOH"	47.012746
"222612"	268.99194	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+3H2O+2H"	56.04448
"1512861"	302.03449	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+IsoProp+H"	61.06479
"415826"	271.945888	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+Na+K"	61.952376
"775361"	392.430738	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+Na+K"	61.952376
"1671328"	151.461038	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Na+K"	61.952376
"262948"	545.955168	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+ACN+Na"	64.015768
"1238574"	304.985468	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+ACN+Na"	64.015768
"1727709"	305.008993	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+NH4+HCOOH"	64.039293
"1190994"	103.312451333333	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+3Na"	68.967654
"1661982"	309.964388	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Na+HCOOH"	68.994688
"169938"	558.85844	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+2K-H"	76.91904
"606947"	799.82814	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+2K-H"	76.91904
"1091825"	317.88874	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2K-H"	76.91904
"150463"	279.932858	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"2M+2K"	77.926316
"586014"	400.417708	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"3M+2K"	77.926316
"1073806"	159.448008	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2K"	77.926316
"1108110"	319.903292	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2K+H"	78.933592
"1342309"	319.990907	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+DMSO+H"	79.021207
"1014128"	324.030076	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2ACN+H"	83.060376
"1533344"	325.023708	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+IsoProp+Na+H"	84.054008
"994328"	162.518676	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+2ACN+2H"	84.067652
"1593205"	325.938328	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+K+HCOOH"	84.968628
"1421050"	355.969838	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+H+CF3COOH"	115.000138
"1152432"	183.031951	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+3ACN+2H"	125.094202
"1706361"	372.996385	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+NH4+CF3COOH"	132.026685
"1640918"	377.95178	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+Na+CF3COOH"	136.98208
"1585316"	393.92572	"C18806"	"Quinclorac"	"C10H5Cl2NO2"	"240.9697"	"M+K+CF3COOH"	152.95602
"805842"	373.1889	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M"	0
"977187"	354.17051	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-H2O-H"	-19.01839
"69802"	247.785324	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M-3H"	-3.021828
"512647"	372.181624	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M-3H"	-3.021828
"888264"	123.389024	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-3H"	-3.021828
"7931"	372.181624	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M-2H"	-2.014552
"447489"	558.776074	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M-2H"	-2.014552
"822376"	185.587174	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-2H"	-2.014552
"85282"	745.370524	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M-H"	-1.007276
"523758"	1118.559424	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M-H"	-1.007276
"899370"	372.181624	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-H"	-1.007276
"50829"	762.397071	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M-2H+NH4"	16.019271
"491120"	1135.585971	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M-2H+NH4"	16.019271
"868924"	389.208171	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-2H+NH4"	16.019271
"37921"	767.352466	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M-2H+Na"	20.974666
"475292"	1140.541366	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M-2H+Na"	20.974666
"850906"	394.163566	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-2H+Na"	20.974666
"1620072"	394.163566	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Na-2H"	20.974666
"98791"	390.169963	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M-H+Cl"	33.962126
"543095"	576.764413	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M-H+Cl"	33.962126
"933694"	203.575513	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-H+Cl"	33.962126
"272977"	781.347202	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+Cl"	34.969402
"664672"	1154.536102	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+Cl"	34.969402
"1283272"	408.158302	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Cl"	34.969402
"18539"	783.326406	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M-2H+K"	36.948606
"462107"	1156.515306	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M-2H+K"	36.948606
"839908"	410.137506	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-2H+K"	36.948606
"1560121"	410.137506	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+K-2H"	36.948606
"943992"	418.187094	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-H+HCOOH"	44.998194
"366216"	791.376001	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+HCOOH-H"	44.998201
"347550"	805.391651	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+Hac-H"	59.013851
"1496745"	432.202751	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Hac-H"	59.013851
"965385"	440.169051	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-H+NaCOOH"	66.980151
"114291"	408.158302	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+2Cl"	69.938804
"557135"	594.752752	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+2Cl"	69.938804
"1031401"	221.563852	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2Cl"	69.938804
"1254259"	452.107785	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Br"	78.918885
"1315615"	454.163772	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Cl+HCOOH"	80.974872
"1334203"	476.145729	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Cl+NaCOOH"	102.956829
"926356"	486.174486	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M-H+CF3COOH"	112.985586
"1300879"	522.151164	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Cl+CF3COOH"	148.962264
"1381593"	338.176224	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H-2H2O"	-35.012676
"1398270"	356.1862	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H-H2O"	-17.0027
"296225"	747.385076	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+H"	1.007276
"691117"	1120.573976	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+H"	1.007276
"1364997"	374.196176	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H"	1.007276
"138978"	374.196176	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+2H"	2.014552
"580728"	560.790626	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+2H"	2.014552
"1050260"	187.601726	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2H"	2.014552
"213056"	249.799876	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+3H"	3.021828
"651523"	374.196176	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+3H"	3.021828
"1170740"	125.403576	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+3H"	3.021828
"428907"	764.411623	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+NH4"	18.033823
"792091"	1137.600523	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+NH4"	18.033823
"1690246"	391.222723	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+NH4"	18.033823
"339617"	382.7094495	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+H+NH4"	19.041099
"725114"	569.3038995	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+H+NH4"	19.041099
"1480035"	196.1149995	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H+NH4"	19.041099
"396166"	769.367018	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+Na"	22.989218
"763359"	1142.555918	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+Na"	22.989218
"1608176"	396.178118	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Na"	22.989218
"314597"	385.187147	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+H+Na"	23.996494
"715011"	571.781597	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+H+Na"	23.996494
"1462754"	198.592697	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H+Na"	23.996494
"1053321"	132.73089	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2H+Na"	25.00377
"1260109"	406.222386	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+CH3OH+H"	33.033486
"378076"	785.340958	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+K"	38.963158
"741504"	1158.529858	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+K"	38.963158
"1547567"	412.152058	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+K"	38.963158
"305837"	393.174117	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+H+K"	39.970434
"696070"	579.768567	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+H+K"	39.970434
"1454261"	206.579667	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H+K"	39.970434
"238489"	788.411626	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+ACN+H"	42.033826
"1223237"	415.222726	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+ACN+H"	42.033826
"1206024"	208.115001	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+ACN+2H"	43.041102
"203847"	791.34896	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+2Na-H"	44.97116
"641382"	1164.53786	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+2Na-H"	44.97116
"1145616"	418.16006	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2Na-H"	44.97116
"187444"	396.178118	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+2Na"	45.978436
"625546"	582.772568	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+2Na"	45.978436
"1125046"	209.583668	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2Na"	45.978436
"1405287"	140.058204	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H+2Na"	46.985712
"1437401"	420.201646	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H+HCOOH"	47.012746
"226002"	401.21114	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+3H2O+2H"	56.04448
"1514064"	434.25369	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+IsoProp+H"	61.06479
"417030"	404.165088	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+Na+K"	61.952376
"776202"	590.759538	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+Na+K"	61.952376
"1674353"	217.570638	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Na+K"	61.952376
"260873"	810.393568	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+ACN+Na"	64.015768
"1240508"	437.204668	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+ACN+Na"	64.015768
"1727940"	437.228193	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+NH4+HCOOH"	64.039293
"1191470"	147.385518	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+3Na"	68.967654
"1662821"	442.183588	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Na+HCOOH"	68.994688
"168955"	823.29684	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+2K-H"	76.91904
"605235"	1196.48574	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+2K-H"	76.91904
"1093757"	450.10794	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2K-H"	76.91904
"150573"	412.152058	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"2M+2K"	77.926316
"587219"	598.746508	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"3M+2K"	77.926316
"1070636"	225.557608	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2K"	77.926316
"1110405"	452.122492	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2K+H"	78.933592
"1347519"	452.210107	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+DMSO+H"	79.021207
"1012040"	456.249276	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2ACN+H"	83.060376
"1533454"	457.242908	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+IsoProp+Na+H"	84.054008
"996624"	228.628276	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+2ACN+2H"	84.067652
"1596594"	458.157528	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+K+HCOOH"	84.968628
"1422254"	488.189038	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+H+CF3COOH"	115.000138
"1153635"	249.141551	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+3ACN+2H"	125.094202
"1706471"	505.215585	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+NH4+CF3COOH"	132.026685
"1642121"	510.17098	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+Na+CF3COOH"	136.98208
"1585426"	526.14492	"C18807"	"Spirotetramat"	"C21H27NO5"	"373.1889"	"M+K+CF3COOH"	152.95602
"805952"	183.8862	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M"	0
"974216"	164.86781	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-H2O-H"	-19.01839
"67725"	121.583524	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M-3H"	-3.021828
"504010"	182.878924	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M-3H"	-3.021828
"882906"	60.288124	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-3H"	-3.021828
"6948"	182.878924	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M-2H"	-2.014552
"441405"	274.822024	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M-2H"	-2.014552
"819205"	90.935824	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-2H"	-2.014552
"78665"	366.765124	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M-H"	-1.007276
"523868"	550.651324	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M-H"	-1.007276
"900575"	182.878924	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-H"	-1.007276
"50939"	383.791671	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M-2H+NH4"	16.019271
"488679"	567.677871	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M-2H+NH4"	16.019271
"864427"	199.905471	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-2H+NH4"	16.019271
"36937"	388.747066	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M-2H+Na"	20.974666
"472971"	572.633266	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M-2H+Na"	20.974666
"850652"	204.860866	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-2H+Na"	20.974666
"1618596"	204.860866	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Na-2H"	20.974666
"97444"	200.867263	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M-H+Cl"	33.962126
"541383"	292.810363	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M-H+Cl"	33.962126
"931617"	108.924163	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-H+Cl"	33.962126
"271994"	402.741802	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+Cl"	34.969402
"666605"	586.628002	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+Cl"	34.969402
"1282289"	218.855602	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Cl"	34.969402
"21566"	404.721006	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M-2H+K"	36.948606
"464404"	588.607206	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M-2H+K"	36.948606
"835645"	220.834806	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-2H+K"	36.948606
"1557316"	220.834806	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+K-2H"	36.948606
"943495"	228.884394	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-H+HCOOH"	44.998194
"364140"	412.770601	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+HCOOH-H"	44.998201
"350212"	426.786251	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+Hac-H"	59.013851
"1494669"	242.900051	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Hac-H"	59.013851
"963309"	250.866351	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-H+NaCOOH"	66.980151
"115131"	218.855602	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+2Cl"	69.938804
"551777"	310.798702	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+2Cl"	69.938804
"1031511"	126.912502	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2Cl"	69.938804
"1254369"	262.805085	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Br"	78.918885
"1314632"	264.861072	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Cl+HCOOH"	80.974872
"1333220"	286.843029	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Cl+NaCOOH"	102.956829
"925374"	296.871786	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M-H+CF3COOH"	112.985586
"1294429"	332.848464	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Cl+CF3COOH"	148.962264
"1379150"	148.873524	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H-2H2O"	-35.012676
"1395188"	166.8835	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H-H2O"	-17.0027
"294144"	368.779676	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+H"	1.007276
"688756"	552.665876	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+H"	1.007276
"1361825"	184.893476	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H"	1.007276
"137995"	184.893476	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+2H"	2.014552
"578650"	276.836576	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+2H"	2.014552
"1051460"	92.950376	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2H"	2.014552
"209886"	123.598076	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+3H"	3.021828
"651633"	184.893476	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+3H"	3.021828
"1167570"	62.302676	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+3H"	3.021828
"426830"	385.806223	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+NH4"	18.033823
"791836"	569.692423	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+NH4"	18.033823
"1688169"	201.920023	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+NH4"	18.033823
"338633"	193.4067495	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+H+NH4"	19.041099
"726680"	285.3498495	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+H+NH4"	19.041099
"1479173"	101.4636495	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H+NH4"	19.041099
"392960"	390.761618	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+Na"	22.989218
"756909"	574.647818	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+Na"	22.989218
"1604519"	206.875418	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Na"	22.989218
"314354"	195.884447	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+H+Na"	23.996494
"712934"	287.827547	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+H+Na"	23.996494
"1462379"	103.941347	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H+Na"	23.996494
"1052800"	69.62999	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2H+Na"	25.00377
"1259854"	216.919686	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+CH3OH+H"	33.033486
"378794"	406.735558	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+K"	38.963158
"739175"	590.621758	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+K"	38.963158
"1540296"	222.849358	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+K"	38.963158
"302667"	203.871417	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+H+K"	39.970434
"695087"	295.814517	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+H+K"	39.970434
"1448541"	111.928317	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H+K"	39.970434
"237506"	409.806226	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+ACN+H"	42.033826
"1222253"	225.920026	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+ACN+H"	42.033826
"1205041"	113.463651	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+ACN+2H"	43.041102
"202291"	412.74356	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+2Na-H"	44.97116
"642583"	596.62976	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+2Na-H"	44.97116
"1146087"	228.85736	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2Na-H"	44.97116
"187190"	206.875418	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+2Na"	45.978436
"624926"	298.818518	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+2Na"	45.978436
"1127342"	114.932318	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2Na"	45.978436
"1405397"	76.957304	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H+2Na"	46.985712
"1437511"	230.898946	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H+HCOOH"	47.012746
"222832"	211.90844	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+3H2O+2H"	56.04448
"1511988"	244.95099	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+IsoProp+H"	61.06479
"413860"	214.862388	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+Na+K"	61.952376
"775947"	306.805488	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+Na+K"	61.952376
"1671183"	122.919288	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Na+K"	61.952376
"260982"	431.788168	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+ACN+Na"	64.015768
"1239160"	247.901968	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+ACN+Na"	64.015768
"1728180"	247.925493	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+NH4+HCOOH"	64.039293
"1191213"	84.284618	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+3Na"	68.967654
"1661839"	252.880888	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Na+HCOOH"	68.994688
"167973"	444.69144	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+2K-H"	76.91904
"607532"	628.57764	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+2K-H"	76.91904
"1094232"	260.80524	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2K-H"	76.91904
"153964"	222.849358	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"2M+2K"	77.926316
"586235"	314.792458	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"3M+2K"	77.926316
"1072933"	130.906258	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2K"	77.926316
"1110882"	262.819792	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2K+H"	78.933592
"1346173"	262.907407	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+DMSO+H"	79.021207
"1008869"	266.946576	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2ACN+H"	83.060376
"1533564"	267.940208	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+IsoProp+Na+H"	84.054008
"998921"	133.976926	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+2ACN+2H"	84.067652
"1595612"	268.854828	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+K+HCOOH"	84.968628
"1422364"	298.886338	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+H+CF3COOH"	115.000138
"1153745"	154.490201	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+3ACN+2H"	125.094202
"1706581"	315.912885	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+NH4+CF3COOH"	132.026685
"1644418"	320.86828	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+Na+CF3COOH"	136.98208
"1585536"	336.84222	"C18808"	"TCA-sodium;Trichloroacetic acid sodium"	"C2Cl3O2Na"	"183.8862"	"M+K+CF3COOH"	152.95602
"811530"	465.9897	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M"	0
"979595"	446.97131	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-H2O-H"	-19.01839
"77314"	309.652524	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M-3H"	-3.021828
"512868"	464.982424	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M-3H"	-3.021828
"880829"	154.322624	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-3H"	-3.021828
"5965"	464.982424	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M-2H"	-2.014552
"441879"	697.977274	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M-2H"	-2.014552
"820045"	231.987574	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-2H"	-2.014552
"80399"	930.972124	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M-H"	-1.007276
"522885"	1396.961824	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M-H"	-1.007276
"901413"	464.982424	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-H"	-1.007276
"52872"	947.998671	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M-2H+NH4"	16.019271
"488787"	1413.988371	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M-2H+NH4"	16.019271
"866223"	482.008971	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-2H+NH4"	16.019271
"40327"	952.954066	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M-2H+Na"	20.974666
"472596"	1418.943766	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M-2H+Na"	20.974666
"851126"	486.964366	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-2H+Na"	20.974666
"1618992"	486.964366	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Na-2H"	20.974666
"97190"	482.970763	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M-H+Cl"	33.962126
"541129"	715.965613	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M-H+Cl"	33.962126
"930270"	249.975913	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-H+Cl"	33.962126
"269917"	966.948802	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+Cl"	34.969402
"666715"	1432.938502	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+Cl"	34.969402
"1281306"	500.959102	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Cl"	34.969402
"20583"	968.928006	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M-2H+K"	36.948606
"462328"	1434.917706	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M-2H+K"	36.948606
"834054"	502.938306	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-2H+K"	36.948606
"1556089"	502.938306	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+K-2H"	36.948606
"943485"	510.987894	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-H+HCOOH"	44.998194
"363157"	976.977601	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+HCOOH-H"	44.998201
"348135"	990.993251	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+Hac-H"	59.013851
"1498059"	525.003551	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Hac-H"	59.013851
"961595"	532.969851	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-H+NaCOOH"	66.980151
"111960"	500.959102	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+2Cl"	69.938804
"551159"	733.953952	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+2Cl"	69.938804
"1026154"	267.964252	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2Cl"	69.938804
"1247919"	544.908585	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Br"	78.918885
"1309275"	546.964572	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Cl+HCOOH"	80.974872
"1331143"	568.946529	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Cl+NaCOOH"	102.956829
"920015"	578.975286	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M-H+CF3COOH"	112.985586
"1294538"	614.951964	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Cl+CF3COOH"	148.962264
"1375980"	430.977024	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H-2H2O"	-35.012676
"1397123"	448.987	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H-H2O"	-17.0027
"293162"	932.986676	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+H"	1.007276
"686679"	1398.976376	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+H"	1.007276
"1363030"	466.996976	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H"	1.007276
"138106"	466.996976	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+2H"	2.014552
"577669"	699.991826	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+2H"	2.014552
"1047565"	234.002126	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2H"	2.014552
"208902"	311.667076	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+3H"	3.021828
"650650"	466.996976	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+3H"	3.021828
"1169869"	156.337176	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+3H"	3.021828
"429861"	950.013223	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+NH4"	18.033823
"789764"	1416.002923	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+NH4"	18.033823
"1687187"	484.023523	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+NH4"	18.033823
"339838"	475.5102495	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+H+NH4"	19.041099
"724241"	708.5050995	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+H+NH4"	19.041099
"1477256"	242.5153995	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H+NH4"	19.041099
"392920"	954.968618	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+Na"	22.989218
"759206"	1420.958318	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+Na"	22.989218
"1605116"	488.978918	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Na"	22.989218
"314384"	477.987947	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+H+Na"	23.996494
"715233"	710.982797	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+H+Na"	23.996494
"1467957"	244.993097	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H+Na"	23.996494
"1059016"	163.66449	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2H+Na"	25.00377
"1260330"	499.023186	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+CH3OH+H"	33.033486
"377811"	970.942558	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+K"	38.963158
"738637"	1436.932258	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+K"	38.963158
"1540082"	504.952858	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+K"	38.963158
"299245"	485.974917	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+H+K"	39.970434
"695561"	718.969767	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+H+K"	39.970434
"1450473"	252.980067	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H+K"	39.970434
"237980"	974.013226	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+ACN+H"	42.033826
"1214695"	508.023526	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+ACN+H"	42.033826
"1204059"	254.515401	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+ACN+2H"	43.041102
"201308"	976.95056	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+2Na-H"	44.97116
"643180"	1442.94026	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+2Na-H"	44.97116
"1144011"	510.96086	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2Na-H"	44.97116
"182927"	488.978918	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+2Na"	45.978436
"623944"	721.973768	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+2Na"	45.978436
"1126724"	255.984068	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2Na"	45.978436
"1408059"	170.991804	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H+2Na"	46.985712
"1435434"	513.002446	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H+HCOOH"	47.012746
"225129"	494.01194	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+3H2O+2H"	56.04448
"1512098"	527.05449	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+IsoProp+H"	61.06479
"417252"	496.965888	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+Na+K"	61.952376
"777151"	729.960738	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+Na+K"	61.952376
"1674573"	263.971038	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Na+K"	61.952376
"261825"	995.995168	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+ACN+Na"	64.015768
"1235262"	530.005468	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+ACN+Na"	64.015768
"1727067"	530.028993	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+NH4+HCOOH"	64.039293
"1189870"	178.319118	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+3Na"	68.967654
"1660126"	534.984388	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Na+HCOOH"	68.994688
"166624"	1008.89844	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+2K-H"	76.91904
"604365"	1474.88814	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+2K-H"	76.91904
"1089971"	542.90874	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2K-H"	76.91904
"146787"	504.952858	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"2M+2K"	77.926316
"583187"	737.947708	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"3M+2K"	77.926316
"1070007"	271.958008	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2K"	77.926316
"1102972"	544.923292	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2K+H"	78.933592
"1339357"	545.010907	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+DMSO+H"	79.021207
"1008981"	549.050076	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2ACN+H"	83.060376
"1534767"	550.043708	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+IsoProp+Na+H"	84.054008
"1001218"	275.028676	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+2ACN+2H"	84.067652
"1595722"	550.958328	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+K+HCOOH"	84.968628
"1421381"	580.989838	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+H+CF3COOH"	115.000138
"1153855"	295.541951	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+3ACN+2H"	125.094202
"1706691"	598.016385	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+NH4+CF3COOH"	132.026685
"1644528"	602.97178	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+Na+CF3COOH"	136.98208
"1585646"	618.94572	"C18809"	"Temefos;Temephos"	"C16H20O6P2S3"	"465.9897"	"M+K+CF3COOH"	152.95602
"809453"	229.1094	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M"	0
"979705"	210.09101	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-H2O-H"	-19.01839
"65759"	151.732324	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M-3H"	-3.021828
"512978"	228.102124	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M-3H"	-3.021828
"880939"	75.362524	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-3H"	-3.021828
"6075"	228.102124	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M-2H"	-2.014552
"444541"	342.656824	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M-2H"	-2.014552
"819789"	113.547424	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-2H"	-2.014552
"80265"	457.211524	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M-H"	-1.007276
"522995"	686.320924	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M-H"	-1.007276
"900429"	228.102124	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-H"	-1.007276
"56262"	474.238071	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M-2H+NH4"	16.019271
"488045"	703.347471	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M-2H+NH4"	16.019271
"865724"	245.128671	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-2H+NH4"	16.019271
"37157"	479.193466	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M-2H+Na"	20.974666
"474528"	708.302866	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M-2H+Na"	20.974666
"851236"	250.084066	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-2H+Na"	20.974666
"1619426"	250.084066	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Na-2H"	20.974666
"95477"	246.090463	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M-H+Cl"	33.962126
"541239"	360.645163	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M-H+Cl"	33.962126
"930380"	131.535763	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-H+Cl"	33.962126
"270027"	493.188202	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+Cl"	34.969402
"664638"	722.297602	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+Cl"	34.969402
"1280322"	264.078802	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Cl"	34.969402
"17654"	495.167406	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M-2H+K"	36.948606
"459157"	724.276806	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M-2H+K"	36.948606
"834772"	266.058006	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-2H+K"	36.948606
"1557171"	266.058006	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+K-2H"	36.948606
"943960"	274.107594	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-H+HCOOH"	44.998194
"364360"	503.217001	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+HCOOH-H"	44.998201
"348244"	517.232651	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+Hac-H"	59.013851
"1500356"	288.123251	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Hac-H"	59.013851
"958988"	296.089551	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-H+NaCOOH"	66.980151
"110732"	264.078802	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+2Cl"	69.938804
"550534"	378.633502	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+2Cl"	69.938804
"1021885"	149.524102	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2Cl"	69.938804
"1243655"	308.028285	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Br"	78.918885
"1304237"	310.084272	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Cl+HCOOH"	80.974872
"1327973"	332.066229	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Cl+NaCOOH"	102.956829
"920125"	342.094986	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M-H+CF3COOH"	112.985586
"1291369"	378.071664	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Cl+CF3COOH"	148.962264
"1369531"	194.096724	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H-2H2O"	-35.012676
"1395775"	212.1067	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H-H2O"	-17.0027
"291085"	459.226076	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+H"	1.007276
"680229"	688.335476	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+H"	1.007276
"1360953"	230.116676	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H"	1.007276
"129467"	230.116676	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+2H"	2.014552
"572313"	344.671376	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+2H"	2.014552
"1043300"	115.561976	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2H"	2.014552
"206825"	153.746876	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+3H"	3.021828
"645776"	230.116676	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+3H"	3.021828
"1167063"	77.377076	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+3H"	3.021828
"427053"	476.252623	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+NH4"	18.033823
"787685"	705.362023	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+NH4"	18.033823
"1684379"	247.143223	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+NH4"	18.033823
"335573"	238.6299495	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+H+NH4"	19.041099
"726175"	353.1846495	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+H+NH4"	19.041099
"1478786"	124.0752495	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H+NH4"	19.041099
"393578"	481.208018	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+Na"	22.989218
"758221"	710.317418	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+Na"	22.989218
"1605226"	252.098618	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Na"	22.989218
"314404"	241.107647	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+H+Na"	23.996494
"714249"	355.662347	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+H+Na"	23.996494
"1464787"	126.552947	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H+Na"	23.996494
"1055116"	84.70439	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2H+Na"	25.00377
"1261898"	262.142886	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+CH3OH+H"	33.033486
"377552"	497.181958	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+K"	38.963158
"741099"	726.291358	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+K"	38.963158
"1544610"	268.072558	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+K"	38.963158
"301788"	249.094617	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+H+K"	39.970434
"694209"	363.649317	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+H+K"	39.970434
"1449489"	134.539917	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H+K"	39.970434
"238819"	500.252626	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+ACN+H"	42.033826
"1212619"	271.143226	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+ACN+H"	42.033826
"1204167"	136.075251	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+ACN+2H"	43.041102
"200325"	503.18996	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+2Na-H"	44.97116
"639884"	732.29936	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+2Na-H"	44.97116
"1143388"	274.08056	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2Na-H"	44.97116
"183397"	252.098618	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+2Na"	45.978436
"624052"	366.653318	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+2Na"	45.978436
"1125374"	137.543918	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2Na"	45.978436
"1406344"	92.031704	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H+2Na"	46.985712
"1435544"	276.122146	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H+HCOOH"	47.012746
"223052"	257.13164	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+3H2O+2H"	56.04448
"1512208"	290.17419	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+IsoProp+H"	61.06479
"415904"	260.085588	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+Na+K"	61.952376
"777262"	374.640288	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+Na+K"	61.952376
"1672500"	145.530888	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Na+K"	61.952376
"257926"	522.234568	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+ACN+Na"	64.015768
"1236102"	293.125168	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+ACN+Na"	64.015768
"1726449"	293.148693	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+NH4+HCOOH"	64.039293
"1189617"	99.359018	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+3Na"	68.967654
"1659873"	298.104088	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Na+HCOOH"	68.994688
"164550"	535.13784	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+2K-H"	76.91904
"604473"	764.24724	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+2K-H"	76.91904
"1091175"	306.02844	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2K-H"	76.91904
"152001"	268.072558	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"2M+2K"	77.926316
"583416"	382.627258	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"3M+2K"	77.926316
"1069144"	153.517858	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2K"	77.926316
"1102111"	308.042992	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2K+H"	78.933592
"1340561"	308.130607	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+DMSO+H"	79.021207
"1011277"	312.169776	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2ACN+H"	83.060376
"1524298"	313.163408	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+IsoProp+Na+H"	84.054008
"1001327"	156.588526	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+2ACN+2H"	84.067652
"1595831"	314.078028	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+K+HCOOH"	84.968628
"1421491"	344.109538	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+H+CF3COOH"	115.000138
"1153965"	177.101801	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+3ACN+2H"	125.094202
"1710081"	361.136085	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+NH4+CF3COOH"	132.026685
"1644638"	366.09148	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+Na+CF3COOH"	136.98208
"1585756"	382.06542	"C18810"	"Terbuthylazine"	"C9H16ClN5"	"229.1094"	"M+K+CF3COOH"	152.95602
"806281"	241.1361	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M"	0
"979815"	222.11771	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-H2O-H"	-19.01839
"69150"	159.750124	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M-3H"	-3.021828
"513088"	240.128824	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M-3H"	-3.021828
"883236"	79.371424	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-3H"	-3.021828
"8371"	240.128824	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M-2H"	-2.014552
"447932"	360.696874	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M-2H"	-2.014552
"820628"	119.560774	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-2H"	-2.014552
"81350"	481.264924	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M-H"	-1.007276
"527479"	722.401024	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M-H"	-1.007276
"904186"	240.128824	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-H"	-1.007276
"57467"	498.291471	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M-2H+NH4"	16.019271
"489004"	739.427571	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M-2H+NH4"	16.019271
"866564"	257.155371	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-2H+NH4"	16.019271
"37631"	503.246866	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M-2H+Na"	20.974666
"473545"	744.382966	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M-2H+Na"	20.974666
"852075"	262.110766	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-2H+Na"	20.974666
"1620142"	262.110766	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Na-2H"	20.974666
"95587"	258.117163	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M-H+Cl"	33.962126
"544630"	378.685213	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M-H+Cl"	33.962126
"932678"	137.549113	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-H+Cl"	33.962126
"273419"	517.241602	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+Cl"	34.969402
"665842"	758.377702	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+Cl"	34.969402
"1281525"	276.105502	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Cl"	34.969402
"16265"	519.220806	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M-2H+K"	36.948606
"459269"	760.356906	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M-2H+K"	36.948606
"837070"	278.084706	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-2H+K"	36.948606
"1555942"	278.084706	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+K-2H"	36.948606
"944070"	286.134294	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-H+HCOOH"	44.998194
"363743"	527.270401	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+HCOOH-H"	44.998201
"348354"	541.286051	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+Hac-H"	59.013851
"1495363"	300.149951	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Hac-H"	59.013851
"960232"	308.116251	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-H+NaCOOH"	66.980151
"111815"	276.105502	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+2Cl"	69.938804
"550232"	396.673552	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+2Cl"	69.938804
"1021874"	155.537452	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2Cl"	69.938804
"1242306"	320.054985	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Br"	78.918885
"1305240"	322.110972	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Cl+HCOOH"	80.974872
"1328083"	344.092929	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Cl+NaCOOH"	102.956829
"912580"	354.121686	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M-H+CF3COOH"	112.985586
"1289411"	390.098364	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Cl+CF3COOH"	148.962264
"1371827"	206.123424	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H-2H2O"	-35.012676
"1393697"	224.1334	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H-H2O"	-17.0027
"287915"	483.279476	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+H"	1.007276
"679245"	724.415576	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+H"	1.007276
"1354498"	242.143376	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H"	1.007276
"135042"	242.143376	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+2H"	2.014552
"572422"	362.711426	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+2H"	2.014552
"1046689"	121.575326	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2H"	2.014552
"206934"	161.764676	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+3H"	3.021828
"646493"	242.143376	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+3H"	3.021828
"1167900"	81.385976	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+3H"	3.021828
"427526"	500.306023	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+NH4"	18.033823
"788524"	741.442123	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+NH4"	18.033823
"1684488"	259.169923	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+NH4"	18.033823
"333493"	250.6566495	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+H+NH4"	19.041099
"725555"	371.2246995	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+H+NH4"	19.041099
"1478411"	130.0885995	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H+NH4"	19.041099
"397336"	505.261418	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+Na"	22.989218
"759424"	746.397518	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+Na"	22.989218
"1606429"	264.125318	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Na"	22.989218
"315732"	253.134347	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+H+Na"	23.996494
"714359"	373.702397	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+H+Na"	23.996494
"1468177"	132.566297	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H+Na"	23.996494
"1058142"	88.71329	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2H+Na"	25.00377
"1259822"	274.169586	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+CH3OH+H"	33.033486
"379121"	521.235358	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+K"	38.963158
"743032"	762.371458	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+K"	38.963158
"1542898"	280.099258	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+K"	38.963158
"305177"	261.121317	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+H+K"	39.970434
"696870"	381.689367	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+H+K"	39.970434
"1451421"	140.553267	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H+K"	39.970434
"238927"	524.306026	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+ACN+H"	42.033826
"1217104"	283.169926	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+ACN+H"	42.033826
"1205006"	142.088601	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+ACN+2H"	43.041102
"198248"	527.24336	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+2Na-H"	44.97116
"638901"	768.37946	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+2Na-H"	44.97116
"1142405"	286.10726	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2Na-H"	44.97116
"182415"	264.125318	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+2Na"	45.978436
"619787"	384.693368	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+2Na"	45.978436
"1126943"	143.557268	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2Na"	45.978436
"1405726"	96.040604	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H+2Na"	46.985712
"1437113"	288.148846	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H+HCOOH"	47.012746
"226443"	269.15834	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+3H2O+2H"	56.04448
"1512317"	302.20089	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+IsoProp+H"	61.06479
"415285"	272.112288	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+Na+K"	61.952376
"777736"	392.680338	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+Na+K"	61.952376
"1674797"	151.544238	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Na+K"	61.952376
"259129"	546.287968	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+ACN+Na"	64.015768
"1236938"	305.151868	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+ACN+Na"	64.015768
"1727651"	305.175393	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+NH4+HCOOH"	64.039293
"1188632"	103.367918	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+3Na"	68.967654
"1660348"	310.130788	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Na+HCOOH"	68.994688
"166844"	559.19124	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+2K-H"	76.91904
"604582"	800.32734	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+2K-H"	76.91904
"1096389"	318.05514	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2K-H"	76.91904
"152111"	280.099258	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"2M+2K"	77.926316
"583405"	400.667308	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"3M+2K"	77.926316
"1073265"	159.531208	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2K"	77.926316
"1101733"	320.069692	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2K+H"	78.933592
"1337513"	320.157307	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+DMSO+H"	79.021207
"1013575"	324.196476	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2ACN+H"	83.060376
"1525376"	325.190108	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+IsoProp+Na+H"	84.054008
"1001437"	162.601876	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+2ACN+2H"	84.067652
"1594848"	326.104728	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+K+HCOOH"	84.968628
"1420508"	356.136238	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+H+CF3COOH"	115.000138
"1150796"	183.115151	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+3ACN+2H"	125.094202
"1710191"	373.162785	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+NH4+CF3COOH"	132.026685
"1644748"	378.11818	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+Na+CF3COOH"	136.98208
"1585866"	394.09212	"C18811"	"Terbutryn"	"C10H19N5S"	"241.1361"	"M+K+CF3COOH"	152.95602
"806391"	220.0419	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M"	0
"979925"	201.02351	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-H2O-H"	-19.01839
"69260"	145.687324	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M-3H"	-3.021828
"502843"	219.034624	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M-3H"	-3.021828
"880429"	72.340024	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-3H"	-3.021828
"4108"	219.034624	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M-2H"	-2.014552
"445856"	329.055574	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M-2H"	-2.014552
"818552"	109.013674	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-2H"	-2.014552
"81460"	439.076524	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M-H"	-1.007276
"528682"	659.118424	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M-H"	-1.007276
"904296"	219.034624	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-H"	-1.007276
"59764"	456.103071	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M-2H+NH4"	16.019271
"488388"	676.144971	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M-2H+NH4"	16.019271
"865581"	236.061171	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-2H+NH4"	16.019271
"37741"	461.058466	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M-2H+Na"	20.974666
"474019"	681.100366	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M-2H+Na"	20.974666
"851092"	241.016566	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-2H+Na"	20.974666
"1620008"	241.016566	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Na-2H"	20.974666
"95697"	237.022963	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M-H+Cl"	33.962126
"545833"	347.043913	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M-H+Cl"	33.962126
"934975"	127.002013	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-H+Cl"	33.962126
"273529"	475.053202	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+Cl"	34.969402
"669232"	695.095102	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+Cl"	34.969402
"1281635"	255.011302	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Cl"	34.969402
"18726"	477.032406	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M-2H+K"	36.948606
"461566"	697.074306	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M-2H+K"	36.948606
"837180"	256.990506	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-2H+K"	36.948606
"1557147"	256.990506	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+K-2H"	36.948606
"943815"	265.040094	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-H+HCOOH"	44.998194
"363124"	485.082001	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+HCOOH-H"	44.998201
"348829"	499.097651	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+Hac-H"	59.013851
"1495474"	279.055751	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Hac-H"	59.013851
"959371"	287.022051	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-H+NaCOOH"	66.980151
"111925"	255.011302	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+2Cl"	69.938804
"550267"	365.032252	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+2Cl"	69.938804
"1022837"	144.990352	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2Cl"	69.938804
"1242781"	298.960785	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Br"	78.918885
"1305593"	301.016772	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Cl+HCOOH"	80.974872
"1328193"	322.998729	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Cl+NaCOOH"	102.956829
"917065"	333.027486	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M-H+CF3COOH"	112.985586
"1289033"	369.004164	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Cl+CF3COOH"	148.962264
"1367073"	185.029224	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H-2H2O"	-35.012676
"1390526"	203.0392	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H-H2O"	-17.0027
"284745"	441.091076	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+H"	1.007276
"676194"	661.132976	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+H"	1.007276
"1352785"	221.049176	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H"	1.007276
"128954"	221.049176	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+2H"	2.014552
"573624"	331.070126	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+2H"	2.014552
"1042423"	111.028226	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2H"	2.014552
"207042"	147.701876	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+3H"	3.021828
"645508"	221.049176	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+3H"	3.021828
"1165091"	74.354576	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+3H"	3.021828
"426176"	458.117623	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+NH4"	18.033823
"786808"	678.159523	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+NH4"	18.033823
"1681681"	238.075723	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+NH4"	18.033823
"332511"	229.5624495	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+H+NH4"	19.041099
"724570"	339.5833995	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+H+NH4"	19.041099
"1479128"	119.5414995	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H+NH4"	19.041099
"397446"	463.073018	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+Na"	22.989218
"758441"	683.114918	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+Na"	22.989218
"1604474"	243.031118	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Na"	22.989218
"315719"	232.040147	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+H+Na"	23.996494
"716655"	342.061097	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+H+Na"	23.996494
"1468287"	122.019197	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H+Na"	23.996494
"1054972"	81.68189	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2H+Na"	25.00377
"1261025"	253.075386	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+CH3OH+H"	33.033486
"378502"	479.046958	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+K"	38.963158
"740225"	699.088858	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+K"	38.963158
"1543737"	259.005058	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+K"	38.963158
"307474"	240.027117	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+H+K"	39.970434
"695523"	350.048067	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+H+K"	39.970434
"1450438"	130.006167	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H+K"	39.970434
"239037"	482.117626	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+ACN+H"	42.033826
"1212838"	262.075726	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+ACN+H"	42.033826
"1205116"	131.541501	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+ACN+2H"	43.041102
"199451"	485.05496	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+2Na-H"	44.97116
"640104"	705.09686	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+2Na-H"	44.97116
"1142514"	265.01306	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2Na-H"	44.97116
"183618"	243.031118	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+2Na"	45.978436
"619897"	353.052068	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+2Na"	45.978436
"1126688"	133.010168	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2Na"	45.978436
"1408023"	89.009204	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H+2Na"	46.985712
"1435765"	267.054646	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H+HCOOH"	47.012746
"225460"	248.06414	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+3H2O+2H"	56.04448
"1510240"	281.10669	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+IsoProp+H"	61.06479
"415396"	251.018088	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+Na+K"	61.952376
"774566"	361.039038	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+Na+K"	61.952376
"1676000"	140.997138	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Na+K"	61.952376
"258146"	504.099568	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+ACN+Na"	64.015768
"1233041"	284.057668	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+ACN+Na"	64.015768
"1727760"	284.081193	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+NH4+HCOOH"	64.039293
"1190564"	96.336518	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+3Na"	68.967654
"1659365"	289.036588	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Na+HCOOH"	68.994688
"165134"	517.00284	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+2K-H"	76.91904
"604694"	737.04474	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+2K-H"	76.91904
"1096864"	296.96094	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2K-H"	76.91904
"152222"	259.005058	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"2M+2K"	77.926316
"582297"	369.026008	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"3M+2K"	77.926316
"1073374"	148.984108	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2K"	77.926316
"1100043"	298.975492	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2K+H"	78.933592
"1340782"	299.063107	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+DMSO+H"	79.021207
"1013685"	303.102276	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2ACN+H"	83.060376
"1525248"	304.095908	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+IsoProp+Na+H"	84.054008
"997174"	152.054776	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+2ACN+2H"	84.067652
"1593865"	305.010528	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+K+HCOOH"	84.968628
"1420618"	335.042038	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+H+CF3COOH"	115.000138
"1150906"	172.568051	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+3ACN+2H"	125.094202
"1710301"	352.068585	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+NH4+CF3COOH"	132.026685
"1644858"	357.02398	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+Na+CF3COOH"	136.98208
"1585976"	372.99792	"C18812"	"Thidiazuron"	"C9H8N4OS"	"220.0419"	"M+K+CF3COOH"	152.95602
"806501"	303.0018	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M"	0
"980035"	283.98341	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-H2O-H"	-19.01839
"72650"	200.993924	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M-3H"	-3.021828
"503099"	301.994524	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M-3H"	-3.021828
"880086"	99.993324	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-3H"	-3.021828
"4218"	301.994524	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M-2H"	-2.014552
"441954"	453.495424	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M-2H"	-2.014552
"819025"	150.493624	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-2H"	-2.014552
"82663"	604.996324	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M-H"	-1.007276
"528792"	907.998124	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M-H"	-1.007276
"905500"	301.994524	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-H"	-1.007276
"58780"	622.022871	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M-2H+NH4"	16.019271
"488250"	925.024671	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M-2H+NH4"	16.019271
"866665"	319.021071	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-2H+NH4"	16.019271
"37851"	626.978266	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M-2H+Na"	20.974666
"474493"	929.980066	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M-2H+Na"	20.974666
"851202"	323.976466	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-2H+Na"	20.974666
"1619065"	323.976466	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Na-2H"	20.974666
"95928"	319.982863	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M-H+Cl"	33.962126
"539383"	471.483763	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M-H+Cl"	33.962126
"932898"	168.481963	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-H+Cl"	33.962126
"273639"	640.973002	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+Cl"	34.969402
"669342"	943.974802	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+Cl"	34.969402
"1281745"	337.971202	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Cl"	34.969402
"19929"	642.952206	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M-2H+K"	36.948606
"457301"	945.954006	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M-2H+K"	36.948606
"837290"	339.950406	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-2H+K"	36.948606
"1558594"	339.950406	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+K-2H"	36.948606
"944290"	347.999994	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-H+HCOOH"	44.998194
"363599"	651.001801	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+HCOOH-H"	44.998201
"346387"	665.017451	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+Hac-H"	59.013851
"1495584"	362.015651	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Hac-H"	59.013851
"958871"	369.981951	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-H+NaCOOH"	66.980151
"110943"	337.971202	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+2Cl"	69.938804
"551230"	489.472102	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+2Cl"	69.938804
"1022583"	186.470302	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2Cl"	69.938804
"1242891"	381.920685	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Br"	78.918885
"1308617"	383.976672	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Cl+HCOOH"	80.974872
"1325023"	405.958629	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Cl+NaCOOH"	102.956829
"912072"	415.987386	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M-H+CF3COOH"	112.985586
"1289509"	451.964064	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Cl+CF3COOH"	148.962264
"1367711"	267.989124	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H-2H2O"	-35.012676
"1384075"	285.9991	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H-H2O"	-17.0027
"287041"	607.010876	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+H"	1.007276
"676548"	910.012676	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+H"	1.007276
"1354717"	304.009076	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H"	1.007276
"129791"	304.009076	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+2H"	2.014552
"572640"	455.509976	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+2H"	2.014552
"1043626"	152.508176	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2H"	2.014552
"206302"	203.008476	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+3H"	3.021828
"645985"	304.009076	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+3H"	3.021828
"1163743"	102.007876	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+3H"	3.021828
"424827"	624.037423	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+NH4"	18.033823
"786919"	927.039223	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+NH4"	18.033823
"1682886"	321.035623	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+NH4"	18.033823
"331893"	312.5223495	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+H+NH4"	19.041099
"723224"	464.0232495	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+H+NH4"	19.041099
"1478875"	161.0214495	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H+NH4"	19.041099
"396463"	628.992818	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+Na"	22.989218
"756361"	931.994618	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+Na"	22.989218
"1604463"	325.991018	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Na"	22.989218
"314980"	315.000047	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+H+Na"	23.996494
"717858"	466.500947	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+H+Na"	23.996494
"1466210"	163.499147	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H+Na"	23.996494
"1055082"	109.33519	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2H+Na"	25.00377
"1263321"	336.035286	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+CH3OH+H"	33.033486
"377518"	644.966758	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+K"	38.963158
"738633"	947.968558	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+K"	38.963158
"1543847"	341.964958	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+K"	38.963158
"304304"	322.987017	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+H+K"	39.970434
"697817"	474.487917	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+H+K"	39.970434
"1449455"	171.486117	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H+K"	39.970434
"239148"	648.037426	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+ACN+H"	42.033826
"1212948"	345.035626	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+ACN+H"	42.033826
"1204497"	173.021451	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+ACN+2H"	43.041102
"200290"	650.97476	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+2Na-H"	44.97116
"640578"	953.97656	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+2Na-H"	44.97116
"1141896"	347.97296	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2Na-H"	44.97116
"183364"	325.991018	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+2Na"	45.978436
"617820"	477.491918	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+2Na"	45.978436
"1121326"	174.490118	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2Na"	45.978436
"1409226"	116.662504	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H+2Na"	46.985712
"1432595"	350.014546	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H+HCOOH"	47.012746
"224477"	331.02404	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+3H2O+2H"	56.04448
"1508893"	364.06659	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+IsoProp+H"	61.06479
"414412"	333.977988	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+Na+K"	61.952376
"774313"	485.478888	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+Na+K"	61.952376
"1675018"	182.477088	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Na+K"	61.952376
"260444"	670.019368	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+ACN+Na"	64.015768
"1233151"	367.017568	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+ACN+Na"	64.015768
"1726777"	367.041093	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+NH4+HCOOH"	64.039293
"1186300"	123.989818	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+3Na"	68.967654
"1658382"	371.996488	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Na+HCOOH"	68.994688
"167430"	682.92264	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+2K-H"	76.91904
"602616"	985.92444	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+2K-H"	76.91904
"1092600"	379.92084	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2K-H"	76.91904
"154518"	341.964958	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"2M+2K"	77.926316
"587878"	493.465858	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"3M+2K"	77.926316
"1069473"	190.464058	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2K"	77.926316
"1100983"	381.935392	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2K+H"	78.933592
"1335910"	382.023007	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+DMSO+H"	79.021207
"1013795"	386.062176	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2ACN+H"	83.060376
"1524287"	387.055808	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+IsoProp+Na+H"	84.054008
"996191"	193.534726	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+2ACN+2H"	84.067652
"1597255"	387.970428	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+K+HCOOH"	84.968628
"1420728"	418.001938	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+H+CF3COOH"	115.000138
"1151016"	214.048001	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+3ACN+2H"	125.094202
"1707132"	435.028485	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+NH4+CF3COOH"	132.026685
"1644968"	439.98388	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+Na+CF3COOH"	136.98208
"1586086"	455.95782	"C18813"	"Tri-allate;Triallate"	"C10H16Cl3NOS"	"303.0018"	"M+K+CF3COOH"	152.95602
"806611"	229.1094	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M"	0
"979052"	210.09101	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-H2O-H"	-19.01839
"71666"	151.732324	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M-3H"	-3.021828
"503246"	228.102124	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M-3H"	-3.021828
"880360"	75.362524	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-3H"	-3.021828
"4328"	228.102124	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M-2H"	-2.014552
"442791"	342.656824	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M-2H"	-2.014552
"819499"	113.547424	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-2H"	-2.014552
"82408"	457.211524	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M-H"	-1.007276
"524529"	686.320924	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M-H"	-1.007276
"904517"	228.102124	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-H"	-1.007276
"56704"	474.238071	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M-2H+NH4"	16.019271
"487917"	703.347471	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M-2H+NH4"	16.019271
"866775"	245.128671	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-2H+NH4"	16.019271
"32240"	479.193466	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M-2H+Na"	20.974666
"472410"	708.302866	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M-2H+Na"	20.974666
"848750"	250.084066	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-2H+Na"	20.974666
"1619378"	250.084066	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Na-2H"	20.974666
"95918"	246.090463	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M-H+Cl"	33.962126
"544959"	360.645163	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M-H+Cl"	33.962126
"933008"	131.535763	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-H+Cl"	33.962126
"273749"	493.188202	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+Cl"	34.969402
"668359"	722.297602	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+Cl"	34.969402
"1281855"	264.078802	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Cl"	34.969402
"17852"	495.167406	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M-2H+K"	36.948606
"458504"	724.276806	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M-2H+K"	36.948606
"836306"	266.058006	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-2H+K"	36.948606
"1559797"	266.058006	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+K-2H"	36.948606
"947680"	274.107594	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-H+HCOOH"	44.998194
"364803"	503.217001	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+HCOOH-H"	44.998201
"347954"	517.232651	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+Hac-H"	59.013851
"1497152"	288.123251	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Hac-H"	59.013851
"960319"	296.089551	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-H+NaCOOH"	66.980151
"113969"	264.078802	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+2Cl"	69.938804
"550976"	378.633502	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+2Cl"	69.938804
"1021476"	149.524102	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2Cl"	69.938804
"1243001"	308.028285	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Br"	78.918885
"1304356"	310.084272	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Cl+HCOOH"	80.974872
"1322946"	332.066229	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Cl+NaCOOH"	102.956829
"912910"	342.094986	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M-H+CF3COOH"	112.985586
"1290349"	378.071664	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Cl+CF3COOH"	148.962264
"1368874"	194.096724	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H-2H2O"	-35.012676
"1384185"	212.1067	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H-H2O"	-17.0027
"288245"	459.226076	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+H"	1.007276
"677022"	688.335476	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+H"	1.007276
"1353735"	230.116676	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H"	1.007276
"129536"	230.116676	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+2H"	2.014552
"576031"	344.671376	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+2H"	2.014552
"1045923"	115.561976	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2H"	2.014552
"206172"	153.746876	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+3H"	3.021828
"646095"	230.116676	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+3H"	3.021828
"1164946"	77.377076	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+3H"	3.021828
"427125"	476.252623	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+NH4"	18.033823
"788122"	705.362023	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+NH4"	18.033823
"1683724"	247.143223	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+NH4"	18.033823
"333097"	238.6299495	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+H+NH4"	19.041099
"723697"	353.1846495	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+H+NH4"	19.041099
"1477645"	124.0752495	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H+NH4"	19.041099
"393657"	481.208018	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+Na"	22.989218
"755012"	710.317418	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+Na"	22.989218
"1602939"	252.098618	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Na"	22.989218
"314433"	241.107647	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+H+Na"	23.996494
"716875"	355.662347	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+H+Na"	23.996494
"1465227"	126.552947	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H+Na"	23.996494
"1057379"	84.70439	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2H+Na"	25.00377
"1261245"	262.142886	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+CH3OH+H"	33.033486
"377343"	497.181958	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+K"	38.963158
"741175"	726.291358	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+K"	38.963158
"1542863"	268.072558	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+K"	38.963158
"303320"	249.094617	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+H+K"	39.970434
"696834"	363.649317	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+H+K"	39.970434
"1448471"	134.539917	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H+K"	39.970434
"237072"	500.252626	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+ACN+H"	42.033826
"1211966"	271.143226	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+ACN+H"	42.033826
"1204607"	136.075251	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+ACN+2H"	43.041102
"201492"	503.18996	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+2Na-H"	44.97116
"639958"	732.29936	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+2Na-H"	44.97116
"1137267"	274.08056	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2Na-H"	44.97116
"184931"	252.098618	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+2Na"	45.978436
"617930"	366.653318	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+2Na"	45.978436
"1121436"	137.543918	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2Na"	45.978436
"1410067"	92.031704	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H+2Na"	46.985712
"1433069"	276.122146	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H+HCOOH"	47.012746
"224587"	257.13164	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+3H2O+2H"	56.04448
"1510825"	290.17419	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+IsoProp+H"	61.06479
"415615"	260.085588	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+Na+K"	61.952376
"777704"	374.640288	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+Na+K"	61.952376
"1675129"	145.530888	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Na+K"	61.952376
"259461"	522.234568	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+ACN+Na"	64.015768
"1234355"	293.125168	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+ACN+Na"	64.015768
"1724699"	293.148693	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+NH4+HCOOH"	64.039293
"1187502"	99.359018	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+3Na"	68.967654
"1657398"	298.104088	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Na+HCOOH"	68.994688
"166448"	535.13784	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+2K-H"	76.91904
"601632"	764.24724	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+2K-H"	76.91904
"1093802"	306.02844	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2K-H"	76.91904
"154992"	268.072558	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"2M+2K"	77.926316
"584707"	382.627258	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"3M+2K"	77.926316
"1075781"	153.517858	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2K"	77.926316
"1100358"	308.042992	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2K+H"	78.933592
"1341002"	308.130607	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+DMSO+H"	79.021207
"1013906"	312.169776	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2ACN+H"	83.060376
"1524740"	313.163408	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+IsoProp+Na+H"	84.054008
"990820"	156.588526	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+2ACN+2H"	84.067652
"1598459"	314.078028	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+K+HCOOH"	84.968628
"1420838"	344.109538	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+H+CF3COOH"	115.000138
"1151126"	177.101801	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+3ACN+2H"	125.094202
"1709429"	361.136085	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+NH4+CF3COOH"	132.026685
"1645078"	366.09148	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+Na+CF3COOH"	136.98208
"1586196"	382.06542	"C18814"	"Trietazine"	"C9H16ClN5"	"229.1094"	"M+K+CF3COOH"	152.95602
"806721"	317.1295	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M"	0
"976975"	298.11111	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-H2O-H"	-19.01839
"68496"	210.412390666667	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M-3H"	-3.021828
"511338"	316.122224	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M-3H"	-3.021828
"883676"	104.702557333333	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-3H"	-3.021828
"6625"	316.122224	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M-2H"	-2.014552
"448375"	474.686974	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M-2H"	-2.014552
"830549"	157.557474	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-2H"	-2.014552
"88354"	633.251724	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M-H"	-1.007276
"522452"	950.381224	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M-H"	-1.007276
"897337"	316.122224	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-H"	-1.007276
"54629"	650.278271	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M-2H+NH4"	16.019271
"489446"	967.407771	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M-2H+NH4"	16.019271
"867616"	333.148771	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-2H+NH4"	16.019271
"32596"	655.233666	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M-2H+Na"	20.974666
"473979"	972.363166	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M-2H+Na"	20.974666
"850319"	338.104166	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-2H+Na"	20.974666
"1618763"	338.104166	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Na-2H"	20.974666
"107331"	334.110563	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M-H+Cl"	33.962126
"546164"	492.675313	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M-H+Cl"	33.962126
"939679"	175.545813	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-H+Cl"	33.962126
"280423"	669.228402	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+Cl"	34.969402
"668469"	986.357902	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+Cl"	34.969402
"1278687"	352.098902	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Cl"	34.969402
"16381"	671.207606	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M-2H+K"	36.948606
"459710"	988.337106	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M-2H+K"	36.948606
"840792"	354.078106	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-2H+K"	36.948606
"1559908"	354.078106	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+K-2H"	36.948606
"947794"	362.127694	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-H+HCOOH"	44.998194
"366009"	679.257201	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+HCOOH-H"	44.998201
"350256"	693.272851	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+Hac-H"	59.013851
"1493371"	376.143351	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Hac-H"	59.013851
"962987"	384.109651	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-H+NaCOOH"	66.980151
"110589"	352.098902	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+2Cl"	69.938804
"554734"	510.663652	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+2Cl"	69.938804
"1021707"	193.534152	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2Cl"	69.938804
"1245298"	396.048385	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Br"	78.918885
"1306289"	398.104372	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Cl+HCOOH"	80.974872
"1320261"	420.086329	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Cl+NaCOOH"	102.956829
"911683"	430.115086	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M-H+CF3COOH"	112.985586
"1289728"	466.091764	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Cl+CF3COOH"	148.962264
"1368254"	282.116824	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H-2H2O"	-35.012676
"1383929"	300.1268	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H-H2O"	-17.0027
"284707"	635.266276	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+H"	1.007276
"676399"	952.395776	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+H"	1.007276
"1352751"	318.136776	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H"	1.007276
"127459"	318.136776	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+2H"	2.014552
"576141"	476.701526	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+2H"	2.014552
"1044940"	159.572026	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2H"	2.014552
"207376"	212.426942666667	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+3H"	3.021828
"646450"	318.136776	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+3H"	3.021828
"1166150"	106.717109333333	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+3H"	3.021828
"426507"	652.292823	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+NH4"	18.033823
"788961"	969.422323	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+NH4"	18.033823
"1684199"	335.163323	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+NH4"	18.033823
"333571"	326.6500495	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+H+NH4"	19.041099
"724293"	485.2147995	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+H+NH4"	19.041099
"1480553"	168.0852995	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H+NH4"	19.041099
"395221"	657.248218	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+Na"	22.989218
"754795"	974.377718	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+Na"	22.989218
"1602888"	340.118718	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Na"	22.989218
"314667"	329.127747	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+H+Na"	23.996494
"716984"	487.692497	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+H+Na"	23.996494
"1463268"	170.562997	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H+Na"	23.996494
"1056396"	114.044423333333	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2H+Na"	25.00377
"1260262"	350.162986	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+CH3OH+H"	33.033486
"378344"	673.222158	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+K"	38.963158
"741649"	990.351658	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+K"	38.963158
"1544067"	356.092658	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+K"	38.963158
"302337"	337.114717	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+H+K"	39.970434
"699131"	495.679467	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+H+K"	39.970434
"1456232"	178.549967	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H+K"	39.970434
"238273"	676.292826	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+ACN+H"	42.033826
"1215356"	359.163326	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+ACN+H"	42.033826
"1204717"	180.085301	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+ACN+2H"	43.041102
"199779"	679.23016	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+2Na-H"	44.97116
"636059"	996.35966	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+2Na-H"	44.97116
"1137377"	362.10066	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2Na-H"	44.97116
"186135"	340.118718	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+2Na"	45.978436
"619134"	498.683468	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+2Na"	45.978436
"1121546"	181.553968	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2Na"	45.978436
"1410906"	121.371737333333	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H+2Na"	46.985712
"1436095"	364.142246	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H+HCOOH"	47.012746
"224697"	345.15174	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+3H2O+2H"	56.04448
"1511665"	378.19429	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+IsoProp+H"	61.06479
"415725"	348.105688	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+Na+K"	61.952376
"777813"	506.670438	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+Na+K"	61.952376
"1674147"	189.540938	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Na+K"	61.952376
"262487"	698.274768	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+ACN+Na"	64.015768
"1234465"	381.145268	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+ACN+Na"	64.015768
"1724445"	381.168793	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+NH4+HCOOH"	64.039293
"1186520"	128.699051333333	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+3Na"	68.967654
"1655321"	386.124188	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Na+HCOOH"	68.994688
"166557"	711.17804	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+2K-H"	76.91904
"601743"	1028.30754	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+2K-H"	76.91904
"1097558"	394.04854	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2K-H"	76.91904
"156325"	356.092658	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"2M+2K"	77.926316
"587005"	514.657408	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"3M+2K"	77.926316
"1075892"	197.527908	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2K"	77.926316
"1099991"	396.063092	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2K+H"	78.933592
"1340022"	396.150707	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+DMSO+H"	79.021207
"1015112"	400.189876	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2ACN+H"	83.060376
"1525698"	401.183508	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+IsoProp+Na+H"	84.054008
"991172"	200.598576	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+2ACN+2H"	84.067652
"1598569"	402.098128	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+K+HCOOH"	84.968628
"1423135"	432.129638	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+H+CF3COOH"	115.000138
"1150143"	221.111851	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+3ACN+2H"	125.094202
"1700787"	449.156185	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+NH4+CF3COOH"	132.026685
"1645188"	454.11158	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+Na+CF3COOH"	136.98208
"1586306"	470.08552	"C18815"	"Triticonazole"	"C17H20ClN3O"	"317.1295"	"M+K+CF3COOH"	152.95602
"813392"	209.9413	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M"	0
"980364"	190.92291	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-H2O-H"	-19.01839
"77354"	138.953590666667	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M-3H"	-3.021828
"516915"	208.934024	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M-3H"	-3.021828
"880864"	68.9731573333333	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-3H"	-3.021828
"1995"	208.934024	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M-2H"	-2.014552
"449578"	313.904674	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M-2H"	-2.014552
"825191"	103.963374	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-2H"	-2.014552
"89557"	418.875324	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M-H"	-1.007276
"521104"	628.816624	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M-H"	-1.007276
"901458"	208.934024	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-H"	-1.007276
"54739"	435.901871	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M-2H+NH4"	16.019271
"489919"	645.843171	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M-2H+NH4"	16.019271
"865898"	225.960571	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-2H+NH4"	16.019271
"33312"	440.857266	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M-2H+Na"	20.974666
"472991"	650.798566	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M-2H+Na"	20.974666
"850551"	230.915966	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-2H+Na"	20.974666
"1619964"	230.915966	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Na-2H"	20.974666
"108048"	226.922363	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M-H+Cl"	33.962126
"545906"	331.893013	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M-H+Cl"	33.962126
"929943"	121.951713	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-H+Cl"	33.962126
"278343"	454.852002	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+Cl"	34.969402
"673561"	664.793302	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+Cl"	34.969402
"1283171"	244.910702	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Cl"	34.969402
"19167"	456.831206	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M-2H+K"	36.948606
"466382"	666.772506	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M-2H+K"	36.948606
"843089"	246.889906	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-2H+K"	36.948606
"1557830"	246.889906	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+K-2H"	36.948606
"946445"	254.939494	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-H+HCOOH"	44.998194
"367211"	464.880801	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+HCOOH-H"	44.998201
"348175"	478.896451	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+Hac-H"	59.013851
"1495548"	268.955151	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Hac-H"	59.013851
"962005"	276.921451	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-H+NaCOOH"	66.980151
"112485"	244.910702	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+2Cl"	69.938804
"553021"	349.881352	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+2Cl"	69.938804
"1022545"	139.940052	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2Cl"	69.938804
"1245408"	288.860185	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Br"	78.918885
"1307128"	290.916172	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Cl+HCOOH"	80.974872
"1323530"	312.898129	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Cl+NaCOOH"	102.956829
"912402"	322.926886	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M-H+CF3COOH"	112.985586
"1292026"	358.903564	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Cl+CF3COOH"	148.962264
"1368362"	174.928624	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H-2H2O"	-35.012676
"1385131"	192.9386	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H-H2O"	-17.0027
"283360"	420.889876	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+H"	1.007276
"676143"	630.831176	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+H"	1.007276
"1352494"	210.948576	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H"	1.007276
"129027"	210.948576	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+2H"	2.014552
"576251"	315.919226	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+2H"	2.014552
"1045050"	105.977926	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2H"	2.014552
"206028"	140.968142666667	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+3H"	3.021828
"646317"	210.948576	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+3H"	3.021828
"1165897"	70.9877093333333	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+3H"	3.021828
"427710"	437.916423	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+NH4"	18.033823
"789073"	647.857723	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+NH4"	18.033823
"1685038"	227.975123	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+NH4"	18.033823
"334410"	219.4618495	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+H+NH4"	19.041099
"723917"	324.4324995	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+H+NH4"	19.041099
"1481393"	114.4911995	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H+NH4"	19.041099
"396061"	442.871818	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+Na"	22.989218
"757053"	652.813118	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+Na"	22.989218
"1603572"	232.930518	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Na"	22.989218
"314858"	221.939547	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+H+Na"	23.996494
"707485"	326.910197	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+H+Na"	23.996494
"1462165"	116.968897	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H+Na"	23.996494
"1053824"	78.3150233333333	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2H+Na"	25.00377
"1257438"	242.974786	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+CH3OH+H"	33.033486
"378213"	458.845758	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+K"	38.963158
"739936"	668.787058	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+K"	38.963158
"1541014"	248.904458	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+K"	38.963158
"298918"	229.926517	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+H+K"	39.970434
"693043"	334.897167	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+H+K"	39.970434
"1454155"	124.955867	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H+K"	39.970434
"239479"	461.916426	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+ACN+H"	42.033826
"1213278"	251.975126	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+ACN+H"	42.033826
"1207015"	126.491201	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+ACN+2H"	43.041102
"199890"	464.85376	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+2Na-H"	44.97116
"641272"	674.79506	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+2Na-H"	44.97116
"1137487"	254.91246	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2Na-H"	44.97116
"186369"	232.930518	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+2Na"	45.978436
"620337"	337.901168	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+2Na"	45.978436
"1120563"	127.959868	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2Na"	45.978436
"1411381"	85.6423373333333	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H+2Na"	46.985712
"1442402"	256.954046	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H+HCOOH"	47.012746
"229181"	237.96354	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+3H2O+2H"	56.04448
"1516149"	271.00609	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+IsoProp+H"	61.06479
"414742"	240.917488	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+Na+K"	61.952376
"779017"	345.888138	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+Na+K"	61.952376
"1677172"	135.946838	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Na+K"	61.952376
"263691"	483.898368	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+ACN+Na"	64.015768
"1239314"	273.957068	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+ACN+Na"	64.015768
"1725283"	273.980593	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+NH4+HCOOH"	64.039293
"1191003"	92.9696513333333	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+3Na"	68.967654
"1661992"	278.935988	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Na+HCOOH"	68.994688
"169950"	496.80164	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+2K-H"	76.91904
"608414"	706.74294	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+2K-H"	76.91904
"1097302"	286.86034	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2K-H"	76.91904
"156063"	248.904458	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"2M+2K"	77.926316
"586021"	353.875108	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"3M+2K"	77.926316
"1072721"	143.933808	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2K"	77.926316
"1102651"	288.874892	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2K+H"	78.933592
"1340128"	288.962507	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+DMSO+H"	79.021207
"1014126"	293.001676	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2ACN+H"	83.060376
"1526051"	293.995308	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+IsoProp+Na+H"	84.054008
"991161"	147.004476	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+2ACN+2H"	84.067652
"1599772"	294.909928	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+K+HCOOH"	84.968628
"1423245"	324.941438	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+H+CF3COOH"	115.000138
"1150253"	167.517751	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+3ACN+2H"	125.094202
"1698710"	341.967985	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+NH4+CF3COOH"	132.026685
"1645298"	346.92338	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+Na+CF3COOH"	136.98208
"1586416"	362.89732	"C18816"	"Cryolite;Aluminum sodium fluoride"	"Na3AlF6"	"209.9413"	"M+K+CF3COOH"	152.95602
"815690"	212.0716	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M"	0
"978288"	193.05321	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-H2O-H"	-19.01839
"73089"	140.373790666667	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M-3H"	-3.021828
"507185"	211.064324	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M-3H"	-3.021828
"882433"	69.6832573333333	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-3H"	-3.021828
"11223"	211.064324	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M-2H"	-2.014552
"451876"	317.100124	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M-2H"	-2.014552
"828585"	105.028524	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-2H"	-2.014552
"90766"	423.135924	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M-H"	-1.007276
"520850"	635.207524	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M-H"	-1.007276
"901568"	211.064324	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-H"	-1.007276
"50109"	440.162471	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M-2H+NH4"	16.019271
"490030"	652.234071	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M-2H+NH4"	16.019271
"866374"	228.090871	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-2H+NH4"	16.019271
"33058"	445.117866	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M-2H+Na"	20.974666
"472981"	657.189466	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M-2H+Na"	20.974666
"851642"	233.046266	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-2H+Na"	20.974666
"1633695"	233.046266	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Na-2H"	20.974666
"105727"	229.052663	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M-H+Cl"	33.962126
"543101"	335.088463	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M-H+Cl"	33.962126
"942086"	123.016863	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-H+Cl"	33.962126
"279914"	459.112602	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+Cl"	34.969402
"669786"	671.184202	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+Cl"	34.969402
"1278908"	247.041002	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Cl"	34.969402
"20370"	461.091806	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M-2H+K"	36.948606
"464307"	673.163406	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M-2H+K"	36.948606
"841014"	249.020206	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-2H+K"	36.948606
"1561226"	249.020206	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+K-2H"	36.948606
"946921"	257.069794	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-H+HCOOH"	44.998194
"366956"	469.141401	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+HCOOH-H"	44.998201
"348285"	483.157051	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+Hac-H"	59.013851
"1500039"	271.085451	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Hac-H"	59.013851
"961749"	279.051751	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-H+NaCOOH"	66.980151
"114306"	247.041002	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+2Cl"	69.938804
"553498"	353.076802	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+2Cl"	69.938804
"1023754"	141.005202	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2Cl"	69.938804
"1242361"	290.990485	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Br"	78.918885
"1307241"	293.046472	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Cl+HCOOH"	80.974872
"1322186"	315.028429	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Cl+NaCOOH"	102.956829
"912515"	325.057186	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M-H+CF3COOH"	112.985586
"1290316"	361.033864	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Cl+CF3COOH"	148.962264
"1371029"	177.058924	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H-2H2O"	-35.012676
"1386339"	195.0689	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H-H2O"	-17.0027
"286025"	425.150476	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+H"	1.007276
"684281"	637.222076	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+H"	1.007276
"1359537"	213.078876	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H"	1.007276
"135710"	213.078876	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+2H"	2.014552
"567982"	319.114676	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+2H"	2.014552
"1039331"	107.043076	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2H"	2.014552
"208695"	142.388342666667	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+3H"	3.021828
"648254"	213.078876	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+3H"	3.021828
"1167474"	71.6978093333333	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+3H"	3.021828
"427830"	442.177023	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+NH4"	18.033823
"787001"	654.248623	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+NH4"	18.033823
"1688073"	230.105423	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+NH4"	18.033823
"338536"	221.5921495	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+H+NH4"	19.041099
"727683"	327.6279495	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+H+NH4"	19.041099
"1480410"	115.5563495	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H+NH4"	19.041099
"397999"	447.132418	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+Na"	22.989218
"763369"	659.204018	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+Na"	22.989218
"1610373"	235.060818	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Na"	22.989218
"325879"	224.069847	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+H+Na"	23.996494
"717207"	330.105647	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+H+Na"	23.996494
"1469934"	118.034047	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H+Na"	23.996494
"1065367"	79.0251233333333	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2H+Na"	25.00377
"1258292"	245.105086	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+CH3OH+H"	33.033486
"379418"	463.106358	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+K"	38.963158
"740778"	675.177958	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+K"	38.963158
"1540762"	251.034758	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+K"	38.963158
"299394"	232.056817	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+H+K"	39.970434
"693881"	338.092617	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+H+K"	39.970434
"1449895"	126.021017	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H+K"	39.970434
"238495"	466.177026	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+ACN+H"	42.033826
"1216677"	254.105426	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+ACN+H"	42.033826
"1197643"	127.556351	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+ACN+2H"	43.041102
"198901"	469.11436	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+2Na-H"	44.97116
"639557"	681.18596	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+2Na-H"	44.97116
"1144163"	257.04276	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2Na-H"	44.97116
"185263"	235.060818	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+2Na"	45.978436
"623728"	341.096618	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+2Na"	45.978436
"1129426"	129.025018	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2Na"	45.978436
"1411853"	86.3524373333333	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H+2Na"	46.985712
"1436316"	259.084346	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H+HCOOH"	47.012746
"226011"	240.09384	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+3H2O+2H"	56.04448
"1512249"	273.13639	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+IsoProp+H"	61.06479
"413759"	243.047788	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+Na+K"	61.952376
"774754"	349.083588	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+Na+K"	61.952376
"1674363"	137.011988	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Na+K"	61.952376
"263435"	488.158968	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+ACN+Na"	64.015768
"1238696"	276.087368	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+ACN+Na"	64.015768
"1722479"	276.110893	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+NH4+HCOOH"	64.039293
"1187835"	93.6797513333333	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+3Na"	68.967654
"1657727"	281.066288	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Na+HCOOH"	68.994688
"167869"	501.06224	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+2K-H"	76.91904
"606336"	713.13384	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+2K-H"	76.91904
"1090850"	288.99064	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2K-H"	76.91904
"147666"	251.034758	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"2M+2K"	77.926316
"590505"	357.070558	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"3M+2K"	77.926316
"1080486"	144.998958	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2K"	77.926316
"1104947"	291.005192	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2K+H"	78.933592
"1337564"	291.092807	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+DMSO+H"	79.021207
"1008522"	295.131976	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2ACN+H"	83.060376
"1526894"	296.125608	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+IsoProp+Na+H"	84.054008
"994439"	148.069626	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+2ACN+2H"	84.067652
"1591127"	297.040228	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+K+HCOOH"	84.968628
"1417885"	327.071738	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+H+CF3COOH"	115.000138
"1151456"	168.582901	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+3ACN+2H"	125.094202
"1697725"	344.098285	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+NH4+CF3COOH"	132.026685
"1645408"	349.05368	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+Na+CF3COOH"	136.98208
"1586526"	365.02762	"C18817"	"Chlorotoluron"	"C10H13ClN2O"	"212.0716"	"M+K+CF3COOH"	152.95602
"811428"	413.1005	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M"	0
"983865"	394.08211	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-H2O-H"	-19.01839
"75388"	274.393057333333	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M-3H"	-3.021828
"507296"	412.093224	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M-3H"	-3.021828
"881086"	136.692890666667	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-3H"	-3.021828
"10240"	412.093224	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M-2H"	-2.014552
"451986"	618.643474	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M-2H"	-2.014552
"828695"	205.542974	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-2H"	-2.014552
"91969"	825.193724	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M-H"	-1.007276
"526063"	1238.294224	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M-H"	-1.007276
"898762"	412.093224	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-H"	-1.007276
"49855"	842.220271	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M-2H+NH4"	16.019271
"488805"	1255.320771	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M-2H+NH4"	16.019271
"866485"	429.119771	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-2H+NH4"	16.019271
"32683"	847.175666	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M-2H+Na"	20.974666
"472242"	1260.276166	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M-2H+Na"	20.974666
"850657"	434.075166	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-2H+Na"	20.974666
"1627121"	434.075166	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Na-2H"	20.974666
"100370"	430.081563	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M-H+Cl"	33.962126
"537744"	636.631813	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M-H+Cl"	33.962126
"933447"	223.531313	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-H+Cl"	33.962126
"273098"	861.170402	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+Cl"	34.969402
"666615"	1274.270902	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+Cl"	34.969402
"1275737"	448.069902	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Cl"	34.969402
"16590"	863.149606	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M-2H+K"	36.948606
"464417"	1276.250106	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M-2H+K"	36.948606
"840031"	450.049106	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-2H+K"	36.948606
"1561336"	450.049106	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+K-2H"	36.948606
"946298"	458.098694	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-H+HCOOH"	44.998194
"364877"	871.199201	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+HCOOH-H"	44.998201
"346938"	885.214851	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+Hac-H"	59.013851
"1500149"	472.114351	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Hac-H"	59.013851
"963679"	480.080651	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-H+NaCOOH"	66.980151
"114780"	448.069902	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+2Cl"	69.938804
"553973"	654.620152	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+2Cl"	69.938804
"1024959"	241.519652	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2Cl"	69.938804
"1243443"	492.019385	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Br"	78.918885
"1307351"	494.075372	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Cl+HCOOH"	80.974872
"1321567"	516.057329	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Cl+NaCOOH"	102.956829
"911774"	526.086086	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M-H+CF3COOH"	112.985586
"1291156"	562.062764	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Cl+CF3COOH"	148.962264
"1372233"	378.087824	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H-2H2O"	-35.012676
"1386449"	396.0978	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H-H2O"	-17.0027
"285770"	827.208276	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+H"	1.007276
"684391"	1240.308776	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+H"	1.007276
"1358552"	414.107776	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H"	1.007276
"134363"	414.107776	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+2H"	2.014552
"568455"	620.658026	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+2H"	2.014552
"1039807"	207.557526	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2H"	2.014552
"205398"	276.407609333333	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+3H"	3.021828
"645932"	414.107776	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+3H"	3.021828
"1165394"	138.707442666667	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+3H"	3.021828
"425750"	844.234823	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+NH4"	18.033823
"787110"	1257.335323	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+NH4"	18.033823
"1682224"	431.134323	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+NH4"	18.033823
"330986"	422.6210495	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+H+NH4"	19.041099
"726699"	629.1712995	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+H+NH4"	19.041099
"1483068"	216.0707995	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H+NH4"	19.041099
"394827"	849.190218	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+Na"	22.989218
"759104"	1262.290718	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+Na"	22.989218
"1610483"	436.089718	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Na"	22.989218
"325989"	425.098747	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+H+Na"	23.996494
"715130"	631.648997	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+H+Na"	23.996494
"1470043"	218.548497	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H+Na"	23.996494
"1063290"	146.034756666667	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2H+Na"	25.00377
"1259497"	446.133986	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+CH3OH+H"	33.033486
"379893"	865.164158	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+K"	38.963158
"741619"	1278.264658	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+K"	38.963158
"1540264"	452.063658	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+K"	38.963158
"299018"	433.085717	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+H+K"	39.970434
"691565"	639.635967	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+H+K"	39.970434
"1448913"	226.535467	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H+K"	39.970434
"237875"	868.234826	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+ACN+H"	42.033826
"1215694"	455.134326	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+ACN+H"	42.033826
"1195566"	228.070801	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+ACN+2H"	43.041102
"197918"	871.17216	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+2Na-H"	44.97116
"638573"	1284.27266	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+2Na-H"	44.97116
"1139892"	458.07166	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2Na-H"	44.97116
"183183"	436.089718	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+2Na"	45.978436
"622745"	642.639968	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+2Na"	45.978436
"1126254"	229.539468	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2Na"	45.978436
"1410870"	153.362070666667	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H+2Na"	46.985712
"1436426"	460.113246	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H+HCOOH"	47.012746
"226121"	441.12274	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+3H2O+2H"	56.04448
"1511265"	474.16529	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+IsoProp+H"	61.06479
"413870"	444.076688	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+Na+K"	61.952376
"773771"	650.626938	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+Na+K"	61.952376
"1671195"	237.526438	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Na+K"	61.952376
"262817"	890.216768	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+ACN+Na"	64.015768
"1239172"	477.116268	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+ACN+Na"	64.015768
"1723684"	477.139793	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+NH4+HCOOH"	64.039293
"1192319"	160.689384666667	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+3Na"	68.967654
"1660028"	482.095188	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Na+HCOOH"	68.994688
"166885"	903.12004	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+2K-H"	76.91904
"605355"	1316.22054	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+2K-H"	76.91904
"1094243"	490.01954	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2K-H"	76.91904
"146681"	452.063658	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"2M+2K"	77.926316
"593896"	658.613908	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"3M+2K"	77.926316
"1079502"	245.513408	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2K"	77.926316
"1109431"	492.034092	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2K+H"	78.933592
"1339256"	492.121707	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+DMSO+H"	79.021207
"1009972"	496.160876	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2ACN+H"	83.060376
"1526276"	497.154508	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+IsoProp+Na+H"	84.054008
"994549"	248.584076	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+2ACN+2H"	84.067652
"1591237"	498.069128	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+K+HCOOH"	84.968628
"1416173"	528.100638	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+H+CF3COOH"	115.000138
"1151566"	269.097351	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+3ACN+2H"	125.094202
"1699292"	545.127185	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+NH4+CF3COOH"	132.026685
"1645518"	550.08258	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+Na+CF3COOH"	136.98208
"1586636"	566.05652	"C18818"	"Cinosulfuron"	"C15H19N5O7S"	"413.1005"	"M+K+CF3COOH"	152.95602
"807164"	238.0009	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M"	0
"977415"	218.98251	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-H2O-H"	-19.01839
"63471"	157.659990666667	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M-3H"	-3.021828
"502834"	236.993624	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M-3H"	-3.021828
"880006"	78.3263573333333	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-3H"	-3.021828
"11445"	236.993624	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M-2H"	-2.014552
"454289"	355.994074	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M-2H"	-2.014552
"832334"	117.993174	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-2H"	-2.014552
"91715"	474.994524	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M-H"	-1.007276
"523988"	712.995424	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M-H"	-1.007276
"896322"	236.993624	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-H"	-1.007276
"48504"	492.021071	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M-2H+NH4"	16.019271
"487824"	730.021971	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M-2H+NH4"	16.019271
"865866"	254.020171	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-2H+NH4"	16.019271
"32672"	496.976466	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M-2H+Na"	20.974666
"472236"	734.977366	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M-2H+Na"	20.974666
"855511"	258.975566	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-2H+Na"	20.974666
"1632701"	258.975566	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Na-2H"	20.974666
"109842"	254.981963	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M-H+Cl"	33.962126
"546603"	373.982413	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M-H+Cl"	33.962126
"939026"	135.981513	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-H+Cl"	33.962126
"277582"	510.971202	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+Cl"	34.969402
"662718"	748.972102	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+Cl"	34.969402
"1276943"	272.970302	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Cl"	34.969402
"21689"	512.950406	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M-2H+K"	36.948606
"462341"	750.951306	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M-2H+K"	36.948606
"842328"	274.949506	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-2H+K"	36.948606
"1558530"	274.949506	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+K-2H"	36.948606
"947507"	282.999094	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-H+HCOOH"	44.998194
"363896"	521.000001	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+HCOOH-H"	44.998201
"352522"	535.015651	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+Hac-H"	59.013851
"1500259"	297.014751	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Hac-H"	59.013851
"963059"	304.981051	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-H+NaCOOH"	66.980151
"113432"	272.970302	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+2Cl"	69.938804
"552990"	391.970752	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+2Cl"	69.938804
"1023244"	153.969852	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2Cl"	69.938804
"1242826"	316.919785	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Br"	78.918885
"1307461"	318.975772	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Cl+HCOOH"	80.974872
"1319904"	340.957729	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Cl+NaCOOH"	102.956829
"916747"	350.986486	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M-H+CF3COOH"	112.985586
"1291265"	386.963164	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Cl+CF3COOH"	148.962264
"1371615"	202.988224	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H-2H2O"	-35.012676
"1383763"	220.9982	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H-H2O"	-17.0027
"285883"	477.009076	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+H"	1.007276
"683408"	715.009976	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+H"	1.007276
"1355382"	239.008176	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H"	1.007276
"132647"	239.008176	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+2H"	2.014552
"575126"	358.008626	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+2H"	2.014552
"1042103"	120.007726	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2H"	2.014552
"210009"	159.674542666667	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+3H"	3.021828
"647380"	239.008176	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+3H"	3.021828
"1169880"	80.3409093333333	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+3H"	3.021828
"430965"	494.035623	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+NH4"	18.033823
"787586"	732.036523	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+NH4"	18.033823
"1683916"	256.034723	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+NH4"	18.033823
"331465"	247.5214495	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+H+NH4"	19.041099
"727903"	366.5218995	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+H+NH4"	19.041099
"1482815"	128.5209995	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H+NH4"	19.041099
"395179"	498.991018	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+Na"	22.989218
"761402"	736.991918	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+Na"	22.989218
"1610593"	260.990118	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Na"	22.989218
"327192"	249.999147	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+H+Na"	23.996494
"719494"	368.999597	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+H+Na"	23.996494
"1470154"	130.998697	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H+Na"	23.996494
"1063400"	87.6682233333333	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2H+Na"	25.00377
"1261795"	271.034386	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+CH3OH+H"	33.033486
"382557"	514.964958	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+K"	38.963158
"743553"	752.965858	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+K"	38.963158
"1542323"	276.964058	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+K"	38.963158
"300951"	257.986117	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+H+K"	39.970434
"694105"	376.986567	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+H+K"	39.970434
"1450115"	138.985667	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H+K"	39.970434
"239445"	518.035626	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+ACN+H"	42.033826
"1214712"	280.034726	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+ACN+H"	42.033826
"1200781"	140.521001	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+ACN+2H"	43.041102
"199122"	520.97296	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+2Na-H"	44.97116
"642694"	758.97386	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+2Na-H"	44.97116
"1143648"	282.97206	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2Na-H"	44.97116
"184022"	260.990118	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+2Na"	45.978436
"625770"	379.990568	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+2Na"	45.978436
"1127458"	141.989668	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2Na"	45.978436
"1409888"	94.9955373333333	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H+2Na"	46.985712
"1437631"	285.013646	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H+HCOOH"	47.012746
"225139"	266.02314	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+3H2O+2H"	56.04448
"1513201"	299.06569	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+IsoProp+H"	61.06479
"413981"	268.977088	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+Na+K"	61.952376
"773517"	387.977538	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+Na+K"	61.952376
"1671307"	149.976638	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Na+K"	61.952376
"260740"	540.017568	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+ACN+Na"	64.015768
"1237095"	302.016668	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+ACN+Na"	64.015768
"1724522"	302.040193	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+NH4+HCOOH"	64.039293
"1193524"	102.322851333333	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+3Na"	68.967654
"1663419"	306.995588	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Na+HCOOH"	68.994688
"165904"	552.92084	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+2K-H"	76.91904
"606561"	790.92174	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+2K-H"	76.91904
"1096541"	314.91994	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2K-H"	76.91904
"146792"	276.964058	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"2M+2K"	77.926316
"590724"	395.964508	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"3M+2K"	77.926316
"1075238"	157.963608	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2K"	77.926316
"1112580"	316.934492	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2K+H"	78.933592
"1339367"	317.022107	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+DMSO+H"	79.021207
"1008990"	321.061276	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2ACN+H"	83.060376
"1531492"	322.054908	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+IsoProp+Na+H"	84.054008
"994663"	161.034276	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+2ACN+2H"	84.067652
"1592448"	322.969528	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+K+HCOOH"	84.968628
"1415920"	353.001038	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+H+CF3COOH"	115.000138
"1151676"	181.547551	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+3ACN+2H"	125.094202
"1700132"	370.027585	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+NH4+CF3COOH"	132.026685
"1642348"	374.98298	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+Na+CF3COOH"	136.98208
"1586746"	390.95692	"C18819"	"Cloxyfonac-sodium"	"C9H8ClO4Na"	"238.0009"	"M+K+CF3COOH"	152.95602
"813832"	331.9623	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M"	0
"980805"	312.94391	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-H2O-H"	-19.01839
"65767"	220.300924	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M-3H"	-3.021828
"507516"	330.955024	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M-3H"	-3.021828
"880105"	109.646824	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-3H"	-3.021828
"13377"	330.955024	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M-2H"	-2.014552
"453185"	496.936174	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M-2H"	-2.014552
"831108"	164.973874	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-2H"	-2.014552
"91583"	662.917324	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M-H"	-1.007276
"524098"	994.879624	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M-H"	-1.007276
"896553"	330.955024	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-H"	-1.007276
"49343"	679.943871	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M-2H+NH4"	16.019271
"488902"	1011.906171	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M-2H+NH4"	16.019271
"866339"	347.981571	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-2H+NH4"	16.019271
"32418"	684.899266	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M-2H+Na"	20.974666
"472468"	1016.861566	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M-2H+Na"	20.974666
"855621"	352.936966	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-2H+Na"	20.974666
"1626250"	352.936966	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Na-2H"	20.974666
"102778"	348.943363	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M-H+Cl"	33.962126
"537963"	514.924513	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M-H+Cl"	33.962126
"935854"	182.962213	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-H+Cl"	33.962126
"271128"	698.894002	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+Cl"	34.969402
"665741"	1030.856302	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+Cl"	34.969402
"1279239"	366.931702	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Cl"	34.969402
"21794"	700.873206	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M-2H+K"	36.948606
"461356"	1032.835506	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M-2H+K"	36.948606
"836970"	368.910906	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-2H+K"	36.948606
"1560098"	368.910906	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+K-2H"	36.948606
"946887"	376.960494	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-H+HCOOH"	44.998194
"365830"	708.922801	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+HCOOH-H"	44.998201
"351539"	722.938451	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+Hac-H"	59.013851
"1499274"	390.976151	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Hac-H"	59.013851
"963169"	398.942451	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-H+NaCOOH"	66.980151
"113906"	366.931702	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+2Cl"	69.938804
"550913"	532.912852	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+2Cl"	69.938804
"1021896"	200.950552	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2Cl"	69.938804
"1242571"	410.881185	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Br"	78.918885
"1306477"	412.937172	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Cl+HCOOH"	80.974872
"1323974"	434.919129	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Cl+NaCOOH"	102.956829
"916857"	444.947886	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M-H+CF3COOH"	112.985586
"1291375"	480.924564	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Cl+CF3COOH"	148.962264
"1369903"	296.949624	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H-2H2O"	-35.012676
"1383747"	314.9596	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H-H2O"	-17.0027
"287816"	664.931876	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+H"	1.007276
"682425"	996.894176	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+H"	1.007276
"1354399"	332.969576	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H"	1.007276
"131664"	332.969576	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+2H"	2.014552
"574507"	498.950726	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+2H"	2.014552
"1045493"	166.988426	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2H"	2.014552
"210119"	222.315476	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+3H"	3.021828
"647490"	332.969576	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+3H"	3.021828
"1169990"	111.661376	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+3H"	3.021828
"432168"	681.958423	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+NH4"	18.033823
"788789"	1013.920723	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+NH4"	18.033823
"1684026"	349.996123	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+NH4"	18.033823
"331575"	341.4828495	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+H+NH4"	19.041099
"729106"	507.4639995	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+H+NH4"	19.041099
"1487298"	175.5016995	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H+NH4"	19.041099
"395046"	686.913818	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+Na"	22.989218
"761512"	1018.876118	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+Na"	22.989218
"1609609"	354.951518	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Na"	22.989218
"326208"	343.960547	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+H+Na"	23.996494
"717538"	509.941697	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+H+Na"	23.996494
"1468078"	177.979397	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H+Na"	23.996494
"1063510"	118.98869	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2H+Na"	25.00377
"1262999"	364.995786	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+CH3OH+H"	33.033486
"379385"	702.887758	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+K"	38.963158
"740747"	1034.850058	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+K"	38.963158
"1543526"	370.925458	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+K"	38.963158
"301790"	351.947517	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+H+K"	39.970434
"694213"	517.928667	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+H+K"	39.970434
"1451318"	185.966367	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H+K"	39.970434
"238095"	705.958426	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+ACN+H"	42.033826
"1215915"	373.996126	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+ACN+H"	42.033826
"1199798"	187.501701	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+ACN+2H"	43.041102
"199232"	708.89576	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+2Na-H"	44.97116
"640981"	1040.85806	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+2Na-H"	44.97116
"1144122"	376.93346	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2Na-H"	44.97116
"184862"	354.951518	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+2Na"	45.978436
"625517"	520.932668	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+2Na"	45.978436
"1126104"	188.970368	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2Na"	45.978436
"1409632"	126.316004	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H+2Na"	46.985712
"1436648"	378.975046	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H+HCOOH"	47.012746
"223425"	359.98454	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+3H2O+2H"	56.04448
"1513311"	393.02709	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+IsoProp+H"	61.06479
"414091"	362.938488	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+Na+K"	61.952376
"775086"	528.919638	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+Na+K"	61.952376
"1671417"	196.957338	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Na+K"	61.952376
"257935"	727.940368	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+ACN+Na"	64.015768
"1236112"	395.978068	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+ACN+Na"	64.015768
"1723903"	396.001593	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+NH4+HCOOH"	64.039293
"1191447"	133.643318	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+3Na"	68.967654
"1660248"	400.956988	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Na+HCOOH"	68.994688
"164923"	740.84364	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+2K-H"	76.91904
"604482"	1072.80594	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+2K-H"	76.91904
"1091184"	408.88134	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2K-H"	76.91904
"145444"	370.925458	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"2M+2K"	77.926316
"587554"	536.906608	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"3M+2K"	77.926316
"1077535"	204.944308	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2K"	77.926316
"1110745"	410.895892	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2K+H"	78.933592
"1336558"	410.983507	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+DMSO+H"	79.021207
"1009100"	415.022676	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2ACN+H"	83.060376
"1529414"	416.016308	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+IsoProp+Na+H"	84.054008
"995865"	208.014976	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+2ACN+2H"	84.067652
"1593650"	416.930928	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+K+HCOOH"	84.968628
"1418215"	446.962438	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+H+CF3COOH"	115.000138
"1149599"	228.528251	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+3ACN+2H"	125.094202
"1699148"	463.988985	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+NH4+CF3COOH"	132.026685
"1642458"	468.94438	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+Na+CF3COOH"	136.98208
"1586856"	484.91832	"C18820"	"Dichlofluanid"	"C9H11Cl2FN2O2S2"	"331.9623"	"M+K+CF3COOH"	152.95602
"807381"	404.9865	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M"	0
"980915"	385.96811	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-H2O-H"	-19.01839
"73531"	268.983724	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M-3H"	-3.021828
"515280"	403.979224	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M-3H"	-3.021828
"883238"	133.988224	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-3H"	-3.021828
"14216"	403.979224	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M-2H"	-2.014552
"453416"	606.472474	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M-2H"	-2.014552
"830367"	201.485974	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-2H"	-2.014552
"92057"	808.965724	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M-H"	-1.007276
"527488"	1213.952224	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M-H"	-1.007276
"898729"	403.979224	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-H"	-1.007276
"48363"	825.992271	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M-2H+NH4"	16.019271
"489743"	1230.978771	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M-2H+NH4"	16.019271
"867177"	421.005771	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-2H+NH4"	16.019271
"34715"	830.947666	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M-2H+Na"	20.974666
"473305"	1235.934166	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M-2H+Na"	20.974666
"855731"	425.961166	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-2H+Na"	20.974666
"1626360"	425.961166	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Na-2H"	20.974666
"102888"	421.967563	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M-H+Cl"	33.962126
"536980"	624.460813	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M-H+Cl"	33.962126
"934871"	219.474313	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-H+Cl"	33.962126
"270145"	844.942402	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+Cl"	34.969402
"666945"	1249.928902	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+Cl"	34.969402
"1279349"	439.955902	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Cl"	34.969402
"20812"	846.921606	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M-2H+K"	36.948606
"460373"	1251.908106	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M-2H+K"	36.948606
"835987"	441.935106	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-2H+K"	36.948606
"1558384"	441.935106	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+K-2H"	36.948606
"946266"	449.984694	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-H+HCOOH"	44.998194
"362655"	854.971201	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+HCOOH-H"	44.998201
"349456"	868.986851	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+Hac-H"	59.013851
"1497197"	464.000351	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Hac-H"	59.013851
"960362"	471.966651	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-H+NaCOOH"	66.980151
"113652"	439.955902	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+2Cl"	69.938804
"551387"	642.449152	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+2Cl"	69.938804
"1022248"	237.462652	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2Cl"	69.938804
"1241464"	483.905385	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Br"	78.918885
"1304277"	485.961372	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Cl+HCOOH"	80.974872
"1322018"	507.943329	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Cl+NaCOOH"	102.956829
"912348"	517.972086	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M-H+CF3COOH"	112.985586
"1291486"	553.948764	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Cl+CF3COOH"	148.962264
"1368553"	369.973824	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H-2H2O"	-35.012676
"1383862"	387.9838	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H-H2O"	-17.0027
"284274"	810.980276	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+H"	1.007276
"677425"	1215.966776	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+H"	1.007276
"1352683"	405.993776	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H"	1.007276
"129587"	405.993776	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+2H"	2.014552
"571336"	608.487026	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+2H"	2.014552
"1038311"	203.500526	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2H"	2.014552
"212415"	270.998276	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+3H"	3.021828
"647600"	405.993776	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+3H"	3.021828
"1172286"	136.002776	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+3H"	3.021828
"432278"	828.006823	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+NH4"	18.033823
"789993"	1232.993323	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+NH4"	18.033823
"1688510"	423.020323	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+NH4"	18.033823
"334601"	414.5070495	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+H+NH4"	19.041099
"730309"	617.0002995	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+H+NH4"	19.041099
"1487408"	212.0137995	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H+NH4"	19.041099
"395156"	832.962218	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+Na"	22.989218
"759436"	1237.948718	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+Na"	22.989218
"1609719"	427.975718	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Na"	22.989218
"325954"	416.984747	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+H+Na"	23.996494
"715459"	619.477997	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+H+Na"	23.996494
"1468186"	214.491497	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H+Na"	23.996494
"1063620"	143.33009	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2H+Na"	25.00377
"1262016"	438.019986	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+CH3OH+H"	33.033486
"380952"	848.936158	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+K"	38.963158
"743771"	1253.922658	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+K"	38.963158
"1544729"	443.949658	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+K"	38.963158
"304815"	424.971717	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+H+K"	39.970434
"695780"	627.464967	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+H+K"	39.970434
"1450333"	222.478467	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H+K"	39.970434
"241120"	852.006826	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+ACN+H"	42.033826
"1214933"	447.020326	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+ACN+H"	42.033826
"1196993"	224.013801	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+ACN+2H"	43.041102
"196062"	854.94416	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+2Na-H"	44.97116
"637811"	1259.93066	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+2Na-H"	44.97116
"1136942"	449.95766	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2Na-H"	44.97116
"181326"	427.975718	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+2Na"	45.978436
"622709"	630.468968	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+2Na"	45.978436
"1122934"	225.482468	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2Na"	45.978436
"1405364"	150.657404	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H+2Na"	46.985712
"1437851"	451.999246	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H+HCOOH"	47.012746
"223171"	433.00874	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+3H2O+2H"	56.04448
"1511234"	466.05129	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+IsoProp+H"	61.06479
"412014"	435.962688	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+Na+K"	61.952376
"773009"	638.455938	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+Na+K"	61.952376
"1669340"	233.469438	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Na+K"	61.952376
"258045"	873.988768	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+ACN+Na"	64.015768
"1235129"	469.002268	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+ACN+Na"	64.015768
"1720733"	469.025793	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+NH4+HCOOH"	64.039293
"1187183"	157.984718	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+3Na"	68.967654
"1658172"	473.981188	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Na+HCOOH"	68.994688
"162846"	886.89204	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+2K-H"	76.91904
"600583"	1291.87854	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+2K-H"	76.91904
"1089467"	481.90554	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2K-H"	76.91904
"145190"	443.949658	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"2M+2K"	77.926316
"589851"	646.442908	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"3M+2K"	77.926316
"1072177"	241.456408	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2K"	77.926316
"1105387"	483.920092	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2K+H"	78.933592
"1341772"	484.007707	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+DMSO+H"	79.021207
"1009210"	488.046876	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2ACN+H"	83.060376
"1531713"	489.040508	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+IsoProp+Na+H"	84.054008
"995976"	244.527076	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+2ACN+2H"	84.067652
"1593761"	489.955128	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+K+HCOOH"	84.968628
"1417233"	519.986638	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+H+CF3COOH"	115.000138
"1150803"	265.040351	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+3ACN+2H"	125.094202
"1700351"	537.013185	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+NH4+CF3COOH"	132.026685
"1642568"	541.96858	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+Na+CF3COOH"	136.98208
"1586966"	557.94252	"C18821"	"Diclosulam"	"C13H10Cl2FN5O3S"	"404.9865"	"M+K+CF3COOH"	152.95602
"804211"	1086.4672	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M"	0
"981025"	1067.44881	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-H2O-H"	-19.01839
"69267"	723.304190666667	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M-3H"	-3.021828
"514296"	1085.459924	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M-3H"	-3.021828
"883713"	361.148457333333	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-3H"	-3.021828
"14326"	1085.459924	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M-2H"	-2.014552
"455392"	1628.693524	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M-2H"	-2.014552
"831694"	542.226324	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-2H"	-2.014552
"92409"	2171.927124	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M-H"	-1.007276
"530878"	3258.394324	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M-H"	-1.007276
"905400"	1085.459924	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-H"	-1.007276
"57586"	2188.953671	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M-2H+NH4"	16.019271
"493866"	3275.420871	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M-2H+NH4"	16.019271
"867292"	1102.486471	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-2H+NH4"	16.019271
"34462"	2193.909066	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M-2H+Na"	20.974666
"478039"	3280.376266	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M-2H+Na"	20.974666
"855841"	1107.441866	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-2H+Na"	20.974666
"1624284"	1107.441866	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Na-2H"	20.974666
"104091"	1103.448263	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M-H+Cl"	33.962126
"543651"	1646.681863	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M-H+Cl"	33.962126
"938260"	560.214663	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-H+Cl"	33.962126
"269162"	2207.903802	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+Cl"	34.969402
"669242"	3294.371002	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+Cl"	34.969402
"1281646"	1121.436602	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Cl"	34.969402
"22014"	2209.883006	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M-2H+K"	36.948606
"460483"	3296.350206	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M-2H+K"	36.948606
"837190"	1123.415806	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-2H+K"	36.948606
"1558128"	1123.415806	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+K-2H"	36.948606
"946010"	1131.465394	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-H+HCOOH"	44.998194
"363129"	2217.932601	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+HCOOH-H"	44.998201
"348473"	2231.948251	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+Hac-H"	59.013851
"1498036"	1145.481051	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Hac-H"	59.013851
"960229"	1153.447351	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-H+NaCOOH"	66.980151
"115218"	1121.436602	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+2Cl"	69.938804
"553319"	1664.670202	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+2Cl"	69.938804
"1021503"	578.203002	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2Cl"	69.938804
"1242789"	1165.386085	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Br"	78.918885
"1304503"	1167.442072	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Cl+HCOOH"	80.974872
"1320058"	1189.424029	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Cl+NaCOOH"	102.956829
"913064"	1199.452786	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M-H+CF3COOH"	112.985586
"1289405"	1235.429464	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Cl+CF3COOH"	148.962264
"1367567"	1051.454524	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H-2H2O"	-35.012676
"1384699"	1069.4645	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H-H2O"	-17.0027
"289124"	2173.941676	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+H"	1.007276
"679723"	3260.408876	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+H"	1.007276
"1352427"	1087.474476	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H"	1.007276
"127870"	1087.474476	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+2H"	2.014552
"566336"	1630.708076	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+2H"	2.014552
"1039511"	544.240876	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2H"	2.014552
"207055"	725.318742666667	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+3H"	3.021828
"648803"	1087.474476	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+3H"	3.021828
"1164741"	363.163009333333	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+3H"	3.021828
"426920"	2190.968223	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+NH4"	18.033823
"790103"	3277.435423	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+NH4"	18.033823
"1685339"	1104.501023	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+NH4"	18.033823
"334711"	1095.9877495	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+H+NH4"	19.041099
"724948"	1639.2213495	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+H+NH4"	19.041099
"1477219"	552.7541495	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H+NH4"	19.041099
"401825"	2195.923618	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+Na"	22.989218
"765007"	3282.390818	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+Na"	22.989218
"1613105"	1109.456418	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Na"	22.989218
"317315"	1098.465447	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+H+Na"	23.996494
"713382"	1641.699047	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+H+Na"	23.996494
"1466108"	555.231847	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H+Na"	23.996494
"1058259"	370.490323333333	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2H+Na"	25.00377
"1258113"	1119.500686	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+CH3OH+H"	33.033486
"381792"	2211.897558	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+K"	38.963158
"740963"	3298.364758	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+K"	38.963158
"1542287"	1125.430358	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+K"	38.963158
"303467"	1106.452417	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+H+K"	39.970434
"695525"	1649.686017	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+H+K"	39.970434
"1450440"	563.218817	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H+K"	39.970434
"241595"	2214.968226	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+ACN+H"	42.033826
"1215399"	1128.501026	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+ACN+H"	42.033826
"1200017"	564.754151	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+ACN+2H"	43.041102
"196170"	2217.90556	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+2Na-H"	44.97116
"636825"	3304.37276	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+2Na-H"	44.97116
"1139239"	1131.43836	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2Na-H"	44.97116
"180342"	1109.456418	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+2Na"	45.978436
"620994"	1652.690018	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+2Na"	45.978436
"1126685"	566.222818	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2Na"	45.978436
"1408021"	377.817637333333	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H+2Na"	46.985712
"1437960"	1133.479946	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H+HCOOH"	47.012746
"224374"	1114.48944	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+3H2O+2H"	56.04448
"1509151"	1147.53199	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+IsoProp+H"	61.06479
"409689"	1117.443388	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+Na+K"	61.952376
"770926"	1660.676988	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+Na+K"	61.952376
"1673820"	574.209788	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Na+K"	61.952376
"259247"	2236.950168	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+ACN+Na"	64.015768
"1235603"	1150.482968	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+ACN+Na"	64.015768
"1721936"	1150.506493	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+NH4+HCOOH"	64.039293
"1185107"	385.144951333333	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+3Na"	68.967654
"1656094"	1155.461888	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Na+HCOOH"	68.994688
"162590"	2249.85344	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+2K-H"	76.91904
"604704"	3336.32064	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+2K-H"	76.91904
"1092495"	1163.38624	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2K-H"	76.91904
"146395"	1125.430358	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"2M+2K"	77.926316
"586681"	1668.663958	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"3M+2K"	77.926316
"1081038"	582.196758	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2K"	77.926316
"1106591"	1165.400792	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2K+H"	78.933592
"1338966"	1165.488407	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+DMSO+H"	79.021207
"1008224"	1169.527576	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2ACN+H"	83.060376
"1526354"	1170.521208	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+IsoProp+Na+H"	84.054008
"990977"	585.267426	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+2ACN+2H"	84.067652
"1587380"	1171.435828	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+K+HCOOH"	84.968628
"1415517"	1201.467338	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+H+CF3COOH"	115.000138
"1147067"	605.780701	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+3ACN+2H"	125.094202
"1697544"	1218.493885	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+NH4+CF3COOH"	132.026685
"1637209"	1223.44928	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+Na+CF3COOH"	136.98208
"1572127"	1239.42322	"C18822"	"Landomycin A"	"C55H74O22"	"1086.4672"	"M+K+CF3COOH"	152.95602
"805414"	972.3991	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M"	0
"981135"	953.38071	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-H2O-H"	-19.01839
"68284"	647.258790666667	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M-3H"	-3.021828
"513313"	971.391824	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M-3H"	-3.021828
"885648"	323.125757333333	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-3H"	-3.021828
"13707"	971.391824	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M-2H"	-2.014552
"455656"	1457.591374	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M-2H"	-2.014552
"829614"	485.192274	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-2H"	-2.014552
"93612"	1943.790924	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M-H"	-1.007276
"527709"	2916.190024	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M-H"	-1.007276
"907697"	971.391824	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-H"	-1.007276
"51137"	1960.817471	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M-2H+NH4"	16.019271
"491790"	2933.216571	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M-2H+NH4"	16.019271
"867036"	988.418371	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-2H+NH4"	16.019271
"37495"	1965.772866	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M-2H+Na"	20.974666
"478149"	2938.171966	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M-2H+Na"	20.974666
"855951"	993.373766	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-2H+Na"	20.974666
"1623301"	993.373766	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Na-2H"	20.974666
"104201"	989.380163	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M-H+Cl"	33.962126
"543761"	1475.579713	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M-H+Cl"	33.962126
"937277"	503.180613	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-H+Cl"	33.962126
"269272"	1979.767602	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+Cl"	34.969402
"668258"	2952.166702	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+Cl"	34.969402
"1282849"	1007.368502	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Cl"	34.969402
"24311"	1981.746806	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M-2H+K"	36.948606
"461686"	2954.145906	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M-2H+K"	36.948606
"841674"	1009.347706	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-2H+K"	36.948606
"1558239"	1009.347706	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+K-2H"	36.948606
"946486"	1017.397294	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-H+HCOOH"	44.998194
"363604"	1989.796401	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+HCOOH-H"	44.998201
"348947"	2003.812051	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+Hac-H"	59.013851
"1501426"	1031.412951	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Hac-H"	59.013851
"963134"	1039.379251	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-H+NaCOOH"	66.980151
"114235"	1007.368502	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+2Cl"	69.938804
"551971"	1493.568052	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+2Cl"	69.938804
"1021857"	521.168952	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2Cl"	69.938804
"1241514"	1051.317985	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Br"	78.918885
"1305347"	1053.373972	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Cl+HCOOH"	80.974872
"1320408"	1075.355929	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Cl+NaCOOH"	102.956829
"913174"	1085.384686	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M-H+CF3COOH"	112.985586
"1288743"	1121.361364	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Cl+CF3COOH"	148.962264
"1368405"	937.386424	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H-2H2O"	-35.012676
"1388456"	955.3964	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H-H2O"	-17.0027
"289234"	1945.805476	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+H"	1.007276
"681656"	2918.204576	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+H"	1.007276
"1359098"	973.406376	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H"	1.007276
"128707"	973.406376	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+2H"	2.014552
"570093"	1459.605926	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+2H"	2.014552
"1042903"	487.206826	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2H"	2.014552
"207166"	649.273342666667	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+3H"	3.021828
"648913"	973.406376	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+3H"	3.021828
"1168131"	325.140309333333	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+3H"	3.021828
"425937"	1962.832023	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+NH4"	18.033823
"792399"	2935.231123	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+NH4"	18.033823
"1687636"	990.432923	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+NH4"	18.033823
"334822"	981.9196495	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+H+NH4"	19.041099
"725058"	1468.1191995	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+H+NH4"	19.041099
"1477073"	495.7200995	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H+NH4"	19.041099
"401936"	1967.787418	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+Na"	22.989218
"764025"	2940.186518	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+Na"	22.989218
"1614308"	995.388318	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Na"	22.989218
"319978"	984.397347	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+H+Na"	23.996494
"713492"	1470.596897	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+H+Na"	23.996494
"1466218"	498.197797	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H+Na"	23.996494
"1059462"	332.467623333333	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2H+Na"	25.00377
"1262234"	1005.432586	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+CH3OH+H"	33.033486
"381902"	1983.761358	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+K"	38.963158
"742896"	2956.160458	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+K"	38.963158
"1543855"	1011.362258	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+K"	38.963158
"301392"	992.384317	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+H+K"	39.970434
"697822"	1478.583867	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+H+K"	39.970434
"1450551"	506.184767	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H+K"	39.970434
"242432"	1986.832026	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+ACN+H"	42.033826
"1216239"	1014.432926	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+ACN+H"	42.033826
"1199034"	507.720101	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+ACN+2H"	43.041102
"197373"	1989.76936	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+2Na-H"	44.97116
"635842"	2962.16846	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+2Na-H"	44.97116
"1139349"	1017.37026	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2Na-H"	44.97116
"179358"	995.388318	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+2Na"	45.978436
"623656"	1481.587868	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+2Na"	45.978436
"1126797"	509.188768	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2Na"	45.978436
"1409954"	339.794937333333	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H+2Na"	46.985712
"1440246"	1019.411846	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H+HCOOH"	47.012746
"228859"	1000.42134	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+3H2O+2H"	56.04448
"1510723"	1033.46389	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+IsoProp+H"	61.06479
"410046"	1003.375288	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+Na+K"	61.952376
"773227"	1489.574838	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+Na+K"	61.952376
"1670650"	517.175738	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Na+K"	61.952376
"258264"	2008.813968	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+ACN+Na"	64.015768
"1235714"	1036.414868	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+ACN+Na"	64.015768
"1720953"	1036.438393	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+NH4+HCOOH"	64.039293
"1189225"	347.122251333333	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+3Na"	68.967654
"1660576"	1041.393788	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Na+HCOOH"	68.994688
"166344"	2021.71724	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+2K-H"	76.91904
"605906"	2994.11634	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+2K-H"	76.91904
"1092605"	1049.31814	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2K-H"	76.91904
"150515"	1011.362258	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"2M+2K"	77.926316
"590073"	1497.561808	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"3M+2K"	77.926316
"1078961"	525.162708	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2K"	77.926316
"1107795"	1051.332692	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2K+H"	78.933592
"1339805"	1051.420307	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+DMSO+H"	79.021207
"1006878"	1055.459476	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2ACN+H"	83.060376
"1526463"	1056.453108	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+IsoProp+Na+H"	84.054008
"990358"	528.233376	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+2ACN+2H"	84.067652
"1587408"	1057.367728	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+K+HCOOH"	84.968628
"1415627"	1087.399238	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+H+CF3COOH"	115.000138
"1147245"	548.746651	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+3ACN+2H"	125.094202
"1698747"	1104.425785	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+NH4+CF3COOH"	132.026685
"1638412"	1109.38118	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+Na+CF3COOH"	136.98208
"1572237"	1125.35512	"C18823"	"Landomycin B"	"C49H64O20"	"972.3991"	"M+K+CF3COOH"	152.95602
"807711"	842.3361	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M"	0
"984526"	823.31771	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-H2O-H"	-19.01839
"70581"	560.550124	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M-3H"	-3.021828
"513423"	841.328824	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M-3H"	-3.021828
"882479"	279.771424	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-3H"	-3.021828
"3240"	841.328824	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M-2H"	-2.014552
"453016"	1262.496874	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M-2H"	-2.014552
"828994"	420.160774	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-2H"	-2.014552
"90442"	1683.664924	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M-H"	-1.007276
"526726"	2526.001024	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M-H"	-1.007276
"904527"	841.328824	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-H"	-1.007276
"54528"	1700.691471	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M-2H+NH4"	16.019271
"491901"	2543.027571	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M-2H+NH4"	16.019271
"867508"	858.355371	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-2H+NH4"	16.019271
"37605"	1705.646866	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M-2H+Na"	20.974666
"478259"	2547.982966	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M-2H+Na"	20.974666
"856061"	863.310766	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-2H+Na"	20.974666
"1623411"	863.310766	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Na-2H"	20.974666
"103218"	859.317163	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M-H+Cl"	33.962126
"541684"	1280.485213	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M-H+Cl"	33.962126
"936294"	438.149113	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-H+Cl"	33.962126
"269382"	1719.641602	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+Cl"	34.969402
"668368"	2561.977702	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+Cl"	34.969402
"1281864"	877.305502	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Cl"	34.969402
"24419"	1721.620806	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M-2H+K"	36.948606
"460703"	2563.956906	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M-2H+K"	36.948606
"838504"	879.284706	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-2H+K"	36.948606
"1558714"	879.284706	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+K-2H"	36.948606
"947689"	887.334294	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-H+HCOOH"	44.998194
"364807"	1729.670401	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+HCOOH-H"	44.998201
"350879"	1743.686051	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+Hac-H"	59.013851
"1497524"	901.349951	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Hac-H"	59.013851
"965066"	909.316251	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-H+NaCOOH"	66.980151
"112159"	877.305502	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+2Cl"	69.938804
"552447"	1298.473552	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+2Cl"	69.938804
"1023431"	456.137452	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2Cl"	69.938804
"1241952"	921.254985	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Br"	78.918885
"1305093"	923.310972	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Cl+HCOOH"	80.974872
"1320401"	945.292929	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Cl+NaCOOH"	102.956829
"913285"	955.321686	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M-H+CF3COOH"	112.985586
"1289259"	991.298364	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Cl+CF3COOH"	148.962264
"1368882"	807.323424	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H-2H2O"	-35.012676
"1390753"	825.3334	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H-H2O"	-17.0027
"290438"	1685.679476	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+H"	1.007276
"682861"	2528.015576	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+H"	1.007276
"1361395"	843.343376	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H"	1.007276
"128817"	843.343376	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+2H"	2.014552
"569477"	1264.511426	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+2H"	2.014552
"1041556"	422.175326	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2H"	2.014552
"204965"	562.564676	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+3H"	3.021828
"649023"	843.343376	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+3H"	3.021828
"1166055"	281.785976	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+3H"	3.021828
"424464"	1702.706023	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+NH4"	18.033823
"786675"	2545.042123	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+NH4"	18.033823
"1683007"	860.369923	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+NH4"	18.033823
"330922"	851.8566495	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+H+NH4"	19.041099
"730636"	1273.0246995	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+H+NH4"	19.041099
"1477277"	430.6885995	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H+NH4"	19.041099
"402046"	1707.661418	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+Na"	22.989218
"766321"	2549.997518	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+Na"	22.989218
"1611138"	865.325318	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Na"	22.989218
"323368"	854.334347	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+H+Na"	23.996494
"713602"	1275.502397	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+H+Na"	23.996494
"1467422"	433.166297	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H+Na"	23.996494
"1059572"	289.11329	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2H+Na"	25.00377
"1265624"	875.369586	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+CH3OH+H"	33.033486
"384198"	1723.635358	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+K"	38.963158
"743006"	2565.971458	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+K"	38.963158
"1541049"	881.299258	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+K"	38.963158
"300408"	862.321317	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+H+K"	39.970434
"694653"	1283.489367	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+H+K"	39.970434
"1446044"	441.153267	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H+K"	39.970434
"238168"	1726.706026	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+ACN+H"	42.033826
"1213067"	884.369926	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+ACN+H"	42.033826
"1202421"	442.688601	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+ACN+2H"	43.041102
"200399"	1729.64336	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+2Na-H"	44.97116
"639232"	2571.97946	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+2Na-H"	44.97116
"1139459"	887.30726	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2Na-H"	44.97116
"178374"	865.325318	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+2Na"	45.978436
"623766"	1286.493368	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+2Na"	45.978436
"1127637"	444.157268	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2Na"	45.978436
"1409700"	296.440604	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H+2Na"	46.985712
"1440356"	889.348846	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H+HCOOH"	47.012746
"233338"	870.35834	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+3H2O+2H"	56.04448
"1510469"	903.40089	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+IsoProp+H"	61.06479
"409180"	873.312288	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+Na+K"	61.952376
"772608"	1294.480338	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+Na+K"	61.952376
"1671855"	452.144238	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Na+K"	61.952376
"258375"	1748.687968	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+ACN+Na"	64.015768
"1236553"	906.351868	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+ACN+Na"	64.015768
"1722156"	906.375393	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+NH4+HCOOH"	64.039293
"1189699"	303.767918	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+3Na"	68.967654
"1661780"	911.330788	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Na+HCOOH"	68.994688
"170827"	1761.59124	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+2K-H"	76.91904
"608201"	2603.92734	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+2K-H"	76.91904
"1093808"	919.25514	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2K-H"	76.91904
"152813"	881.299258	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"2M+2K"	77.926316
"589089"	1302.467308	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"3M+2K"	77.926316
"1081257"	460.131208	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2K"	77.926316
"1107906"	921.269692	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2K+H"	78.933592
"1339916"	921.357307	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+DMSO+H"	79.021207
"1006745"	925.396476	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2ACN+H"	83.060376
"1525845"	926.390108	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+IsoProp+Na+H"	84.054008
"990467"	463.201876	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+2ACN+2H"	84.067652
"1587763"	927.304728	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+K+HCOOH"	84.968628
"1415373"	957.336238	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+H+CF3COOH"	115.000138
"1147197"	483.715151	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+3ACN+2H"	125.094202
"1698492"	974.362785	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+NH4+CF3COOH"	132.026685
"1637429"	979.31818	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+Na+CF3COOH"	136.98208
"1572346"	995.29212	"C18824"	"Landomycin J"	"C43H54O17"	"842.3361"	"M+K+CF3COOH"	152.95602
"807821"	274.1053	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M"	0
"979168"	255.08691	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-H2O-H"	-19.01839
"70691"	181.729590666667	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M-3H"	-3.021828
"513533"	273.098024	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M-3H"	-3.021828
"883682"	90.3611573333333	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-3H"	-3.021828
"3350"	273.098024	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M-2H"	-2.014552
"452032"	410.150674	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M-2H"	-2.014552
"828374"	136.045374	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-2H"	-2.014552
"89458"	547.203324	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M-H"	-1.007276
"525743"	821.308624	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M-H"	-1.007276
"904637"	273.098024	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-H"	-1.007276
"54637"	564.229871	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M-2H+NH4"	16.019271
"495291"	838.335171	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M-2H+NH4"	16.019271
"866534"	290.124571	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-2H+NH4"	16.019271
"42820"	569.185266	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M-2H+Na"	20.974666
"478369"	843.290566	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M-2H+Na"	20.974666
"856171"	295.079966	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-2H+Na"	20.974666
"1628988"	295.079966	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Na-2H"	20.974666
"103328"	291.086363	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M-H+Cl"	33.962126
"541794"	428.139013	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M-H+Cl"	33.962126
"937497"	154.033713	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-H+Cl"	33.962126
"269492"	583.180002	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+Cl"	34.969402
"671030"	857.285302	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+Cl"	34.969402
"1281974"	309.074702	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Cl"	34.969402
"23436"	585.159206	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M-2H+K"	36.948606
"461907"	859.264506	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M-2H+K"	36.948606
"836426"	311.053906	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-2H+K"	36.948606
"1559918"	311.053906	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+K-2H"	36.948606
"949986"	319.103494	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-H+HCOOH"	44.998194
"364553"	593.208801	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+HCOOH-H"	44.998201
"352084"	607.224451	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+Hac-H"	59.013851
"1497635"	333.119151	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Hac-H"	59.013851
"964083"	341.085451	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-H+NaCOOH"	66.980151
"113727"	309.074702	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+2Cl"	69.938804
"551463"	446.127352	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+2Cl"	69.938804
"1021677"	172.022052	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2Cl"	69.938804
"1241466"	353.024185	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Br"	78.918885
"1304839"	355.080172	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Cl+HCOOH"	80.974872
"1320228"	377.062129	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Cl+NaCOOH"	102.956829
"911650"	387.090886	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M-H+CF3COOH"	112.985586
"1290102"	423.067564	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Cl+CF3COOH"	148.962264
"1371180"	239.092624	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H-2H2O"	-35.012676
"1390862"	257.1026	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H-H2O"	-17.0027
"286537"	549.217876	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+H"	1.007276
"679688"	823.323176	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+H"	1.007276
"1359317"	275.112576	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H"	1.007276
"131112"	275.112576	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+2H"	2.014552
"570680"	412.165226	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+2H"	2.014552
"1042759"	138.059926	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2H"	2.014552
"207386"	183.744142666667	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+3H"	3.021828
"649133"	275.112576	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+3H"	3.021828
"1166165"	92.3757093333333	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+3H"	3.021828
"426157"	566.244423	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+NH4"	18.033823
"786661"	840.349723	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+NH4"	18.033823
"1683482"	292.139123	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+NH4"	18.033823
"331396"	283.6258495	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+H+NH4"	19.041099
"724549"	420.6784995	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+H+NH4"	19.041099
"1477389"	146.5731995	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H+NH4"	19.041099
"393189"	571.199818	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+Na"	22.989218
"755125"	845.305118	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+Na"	22.989218
"1607968"	297.094518	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Na"	22.989218
"323474"	286.103547	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+H+Na"	23.996494
"710431"	423.156197	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+H+Na"	23.996494
"1465709"	149.050897	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H+Na"	23.996494
"1058589"	99.7030233333333	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2H+Na"	25.00377
"1264640"	307.138786	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+CH3OH+H"	33.033486
"384308"	587.173758	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+K"	38.963158
"738984"	861.279058	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+K"	38.963158
"1540031"	313.068458	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+K"	38.963158
"298853"	294.090517	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+H+K"	39.970434
"692572"	431.143167	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+H+K"	39.970434
"1445682"	157.037867	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H+K"	39.970434
"237549"	590.244426	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+ACN+H"	42.033826
"1209926"	316.139126	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+ACN+H"	42.033826
"1202531"	158.573201	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+ACN+2H"	43.041102
"198687"	593.18176	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+2Na-H"	44.97116
"639342"	867.28706	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+2Na-H"	44.97116
"1141755"	319.07646	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2Na-H"	44.97116
"177391"	297.094518	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+2Na"	45.978436
"624604"	434.147168	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+2Na"	45.978436
"1127747"	160.041868	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2Na"	45.978436
"1409810"	107.030337333333	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H+2Na"	46.985712
"1437186"	321.118046	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H+HCOOH"	47.012746
"232720"	302.12754	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+3H2O+2H"	56.04448
"1509240"	335.17009	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+IsoProp+H"	61.06479
"410265"	305.081488	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+Na+K"	61.952376
"774541"	442.134138	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+Na+K"	61.952376
"1670871"	168.028838	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Na+K"	61.952376
"258485"	612.226368	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+ACN+Na"	64.015768
"1236661"	338.121068	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+ACN+Na"	64.015768
"1722266"	338.144593	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+NH4+HCOOH"	64.039293
"1187622"	114.357651333333	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+3Na"	68.967654
"1660796"	343.099988	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Na+HCOOH"	68.994688
"167657"	625.12964	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+2K-H"	76.91904
"607218"	899.23494	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+2K-H"	76.91904
"1096105"	351.02434	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2K-H"	76.91904
"150736"	313.068458	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"2M+2K"	77.926316
"589199"	450.121108	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"3M+2K"	77.926316
"1079179"	176.015808	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2K"	77.926316
"1108016"	353.038892	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2K+H"	78.933592
"1340391"	353.126507	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+DMSO+H"	79.021207
"1007826"	357.165676	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2ACN+H"	83.060376
"1524862"	358.159308	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+IsoProp+Na+H"	84.054008
"990939"	179.086476	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+2ACN+2H"	84.067652
"1588357"	359.073928	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+K+HCOOH"	84.968628
"1415483"	389.105438	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+H+CF3COOH"	115.000138
"1147137"	199.599751	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+3ACN+2H"	125.094202
"1698602"	406.131985	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+NH4+CF3COOH"	132.026685
"1639726"	411.08738	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+Na+CF3COOH"	136.98208
"1572458"	427.06132	"C18825"	"Dikegulac;Diprogulic acid"	"C12H18O7"	"274.1053"	"M+K+CF3COOH"	152.95602
"807931"	401.0543	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M"	0
"984746"	382.03591	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-H2O-H"	-19.01839
"70802"	266.362257333333	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M-3H"	-3.021828
"514737"	400.047024	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M-3H"	-3.021828
"891447"	132.677490666667	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-3H"	-3.021828
"12207"	400.047024	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M-2H"	-2.014552
"442653"	600.574174	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M-2H"	-2.014552
"830308"	199.519874	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-2H"	-2.014552
"91033"	801.101324	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M-H"	-1.007276
"528041"	1202.155624	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M-H"	-1.007276
"904749"	400.047024	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-H"	-1.007276
"58758"	818.127871	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M-2H+NH4"	16.019271
"499775"	1219.182171	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M-2H+NH4"	16.019271
"871019"	417.073571	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-2H+NH4"	16.019271
"44023"	823.083266	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M-2H+Na"	20.974666
"480666"	1224.137566	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M-2H+Na"	20.974666
"858468"	422.028966	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-2H+Na"	20.974666
"1630922"	422.028966	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Na-2H"	20.974666
"106718"	418.035363	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M-H+Cl"	33.962126
"540811"	618.562513	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M-H+Cl"	33.962126
"939794"	217.508213	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-H+Cl"	33.962126
"271789"	837.078002	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+Cl"	34.969402
"670778"	1238.132302	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+Cl"	34.969402
"1280991"	436.023702	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Cl"	34.969402
"26827"	839.057206	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M-2H+K"	36.948606
"460193"	1240.111506	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M-2H+K"	36.948606
"837630"	438.002906	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-2H+K"	36.948606
"1558204"	438.002906	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+K-2H"	36.948606
"947908"	446.052494	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-H+HCOOH"	44.998194
"366122"	847.106801	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+HCOOH-H"	44.998201
"349639"	861.122451	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+Hac-H"	59.013851
"1499203"	460.068151	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Hac-H"	59.013851
"964557"	468.034451	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-H+NaCOOH"	66.980151
"115292"	436.023702	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+2Cl"	69.938804
"555947"	636.550852	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+2Cl"	69.938804
"1030214"	235.496552	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2Cl"	69.938804
"1246513"	479.973185	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Br"	78.918885
"1308230"	482.029172	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Cl+HCOOH"	80.974872
"1322812"	504.011129	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Cl+NaCOOH"	102.956829
"913137"	514.039886	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M-H+CF3COOH"	112.985586
"1291306"	550.016564	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Cl+CF3COOH"	148.962264
"1372384"	366.041624	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H-2H2O"	-35.012676
"1388785"	384.0516	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H-H2O"	-17.0027
"287011"	803.115876	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+H"	1.007276
"679797"	1204.170176	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+H"	1.007276
"1356146"	402.061576	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H"	1.007276
"130129"	402.061576	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+2H"	2.014552
"571885"	602.588726	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+2H"	2.014552
"1043962"	201.534426	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2H"	2.014552
"210777"	268.376809333333	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+3H"	3.021828
"651431"	402.061576	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+3H"	3.021828
"1167369"	134.692042666667	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+3H"	3.021828
"428454"	820.142423	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+NH4"	18.033823
"787261"	1221.196723	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+NH4"	18.033823
"1687964"	419.088123	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+NH4"	18.033823
"332965"	410.5748495	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+H+NH4"	19.041099
"724295"	611.1019995	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+H+NH4"	19.041099
"1477621"	210.0476995	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H+NH4"	19.041099
"393510"	825.097818	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+Na"	22.989218
"755355"	1226.152118	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+Na"	22.989218
"1612451"	424.043518	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Na"	22.989218
"324679"	413.052547	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+H+Na"	23.996494
"714914"	613.579697	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+H+Na"	23.996494
"1470922"	212.525397	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H+Na"	23.996494
"1063072"	142.019356666667	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2H+Na"	25.00377
"1266937"	434.087786	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+CH3OH+H"	33.033486
"387698"	841.071758	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+K"	38.963158
"743226"	1242.126058	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+K"	38.963158
"1544186"	440.017458	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+K"	38.963158
"301360"	421.039517	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+H+K"	39.970434
"694873"	621.566667	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+H+K"	39.970434
"1447964"	220.512367	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H+K"	39.970434
"240575"	844.142426	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+ACN+H"	42.033826
"1211463"	443.088126	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+ACN+H"	42.033826
"1199361"	222.047701	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+ACN+2H"	43.041102
"193328"	847.07976	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+2Na-H"	44.97116
"637264"	1248.13406	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+2Na-H"	44.97116
"1142593"	446.02546	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2Na-H"	44.97116
"182967"	424.043518	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+2Na"	45.978436
"620341"	624.570668	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+2Na"	45.978436
"1128948"	223.516368	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2Na"	45.978436
"1411741"	149.346670666667	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H+2Na"	46.985712
"1431828"	448.067046	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H+HCOOH"	47.012746
"232463"	429.07654	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+3H2O+2H"	56.04448
"1519438"	462.11909	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+IsoProp+H"	61.06479
"419124"	432.030488	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+Na+K"	61.952376
"780119"	632.557638	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+Na+K"	61.952376
"1676449"	231.503338	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Na+K"	61.952376
"264063"	866.124368	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+ACN+Na"	64.015768
"1239324"	465.070068	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+ACN+Na"	64.015768
"1723471"	465.093593	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+NH4+HCOOH"	64.039293
"1193688"	156.673984666667	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+3Na"	68.967654
"1661999"	470.048988	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Na+HCOOH"	68.994688
"167767"	879.02764	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+2K-H"	76.91904
"610607"	1280.08194	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+2K-H"	76.91904
"1098400"	477.97334	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2K-H"	76.91904
"154124"	440.017458	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"2M+2K"	77.926316
"588217"	640.544608	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"3M+2K"	77.926316
"1076008"	239.490308	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2K"	77.926316
"1107032"	479.987892	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2K+H"	78.933592
"1343417"	480.075507	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+DMSO+H"	79.021207
"1009762"	484.114676	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2ACN+H"	83.060376
"1527888"	485.108308	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+IsoProp+Na+H"	84.054008
"992143"	242.560976	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+2ACN+2H"	84.067652
"1588228"	486.022928	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+K+HCOOH"	84.968628
"1415957"	516.054438	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+H+CF3COOH"	115.000138
"1148430"	263.074251	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+3ACN+2H"	125.094202
"1697619"	533.080985	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+NH4+CF3COOH"	132.026685
"1637649"	538.03638	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+Na+CF3COOH"	136.98208
"1571839"	554.01032	"C18826"	"Dithiopyr"	"C15H16F5NO2S2"	"401.0543"	"M+K+CF3COOH"	152.95602
"808041"	333.0936	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M"	0
"978295"	314.07521	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-H2O-H"	-19.01839
"67631"	221.055124	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M-3H"	-3.021828
"511566"	332.086324	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M-3H"	-3.021828
"888275"	110.023924	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-3H"	-3.021828
"6850"	332.086324	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M-2H"	-2.014552
"442030"	498.633124	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M-2H"	-2.014552
"820203"	165.539524	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-2H"	-2.014552
"80560"	665.179924	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M-H"	-1.007276
"529975"	998.273524	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M-H"	-1.007276
"903766"	332.086324	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-H"	-1.007276
"57411"	682.206471	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M-2H+NH4"	16.019271
"497701"	1015.300071	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M-2H+NH4"	16.019271
"870036"	349.112871	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-2H+NH4"	16.019271
"41218"	687.161866	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M-2H+Na"	20.974666
"479683"	1020.255466	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M-2H+Na"	20.974666
"860767"	354.068266	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-2H+Na"	20.974666
"1630304"	354.068266	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Na-2H"	20.974666
"106828"	350.074663	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M-H+Cl"	33.962126
"544201"	516.621463	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M-H+Cl"	33.962126
"938811"	183.527863	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-H+Cl"	33.962126
"272992"	701.156602	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+Cl"	34.969402
"670522"	1034.250202	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+Cl"	34.969402
"1281101"	368.063002	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Cl"	34.969402
"23658"	703.135806	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M-2H+K"	36.948606
"459939"	1036.229406	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M-2H+K"	36.948606
"841019"	370.042206	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-2H+K"	36.948606
"1558315"	370.042206	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+K-2H"	36.948606
"946925"	378.091794	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-H+HCOOH"	44.998194
"365503"	711.185401	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+HCOOH-H"	44.998201
"349750"	725.201051	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+Hac-H"	59.013851
"1500042"	392.107451	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Hac-H"	59.013851
"962481"	400.073751	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-H+NaCOOH"	66.980151
"121598"	368.063002	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+2Cl"	69.938804
"556423"	534.609802	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+2Cl"	69.938804
"1030688"	201.516202	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2Cl"	69.938804
"1248081"	412.012485	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Br"	78.918885
"1307612"	414.068472	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Cl+HCOOH"	80.974872
"1322923"	436.050429	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Cl+NaCOOH"	102.956829
"913613"	446.079186	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M-H+CF3COOH"	112.985586
"1295426"	482.055864	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Cl+CF3COOH"	148.962264
"1373587"	298.080924	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H-2H2O"	-35.012676
"1388895"	316.0909	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H-H2O"	-17.0027
"289673"	667.194476	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+H"	1.007276
"681000"	1000.288076	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+H"	1.007276
"1358444"	334.100876	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H"	1.007276
"130239"	334.100876	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+2H"	2.014552
"573087"	500.647676	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+2H"	2.014552
"1045165"	167.554076	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2H"	2.014552
"207607"	223.069676	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+3H"	3.021828
"649354"	334.100876	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+3H"	3.021828
"1165293"	112.038476	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+3H"	3.021828
"427471"	684.221023	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+NH4"	18.033823
"789558"	1017.314623	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+NH4"	18.033823
"1684796"	351.127423	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+NH4"	18.033823
"335262"	342.6141495	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+H+NH4"	19.041099
"724040"	509.1609495	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+H+NH4"	19.041099
"1477369"	176.0673495	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H+NH4"	19.041099
"394347"	689.176418	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+Na"	22.989218
"754734"	1022.270018	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+Na"	22.989218
"1612562"	356.082818	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Na"	22.989218
"323695"	345.091847	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+H+Na"	23.996494
"715024"	511.638647	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+H+Na"	23.996494
"1469937"	178.545047	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H+Na"	23.996494
"1062089"	119.36579	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2H+Na"	25.00377
"1267047"	366.127086	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+CH3OH+H"	33.033486
"384529"	705.150358	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+K"	38.963158
"746617"	1038.243958	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+K"	38.963158
"1547577"	372.056758	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+K"	38.963158
"304751"	353.078817	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+H+K"	39.970434
"693891"	519.625617	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+H+K"	39.970434
"1449167"	186.532017	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H+K"	39.970434
"239226"	708.221026	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+ACN+H"	42.033826
"1212303"	375.127426	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+ACN+H"	42.033826
"1198379"	188.067351	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+ACN+2H"	43.041102
"194534"	711.15836	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+2Na-H"	44.97116
"636281"	1044.25196	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+2Na-H"	44.97116
"1141974"	378.06476	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2Na-H"	44.97116
"181984"	356.082818	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+2Na"	45.978436
"625919"	522.629618	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+2Na"	45.978436
"1127235"	189.536018	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2Na"	45.978436
"1408571"	126.693104	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H+2Na"	46.985712
"1431938"	380.106346	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H+HCOOH"	47.012746
"232573"	361.11584	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+3H2O+2H"	56.04448
"1520279"	394.15839	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+IsoProp+H"	61.06479
"418141"	364.069788	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+Na+K"	61.952376
"779136"	530.616588	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+Na+K"	61.952376
"1675466"	197.522988	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Na+K"	61.952376
"261986"	730.202968	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+ACN+Na"	64.015768
"1234695"	397.109368	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+ACN+Na"	64.015768
"1717016"	397.132893	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+NH4+HCOOH"	64.039293
"1191489"	134.020418	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+3Na"	68.967654
"1658829"	402.088288	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Na+HCOOH"	68.994688
"167877"	743.10624	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+2K-H"	76.91904
"607437"	1076.19984	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+2K-H"	76.91904
"1098268"	410.01264	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2K-H"	76.91904
"152047"	372.056758	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"2M+2K"	77.926316
"586138"	538.603558	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"3M+2K"	77.926316
"1077211"	205.509958	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2K"	77.926316
"1107139"	412.027192	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2K+H"	78.933592
"1341336"	412.114807	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+DMSO+H"	79.021207
"1010962"	416.153976	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2ACN+H"	83.060376
"1529093"	417.147608	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+IsoProp+Na+H"	84.054008
"993353"	208.580626	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+2ACN+2H"	84.067652
"1588580"	418.062228	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+K+HCOOH"	84.968628
"1414972"	448.093738	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+H+CF3COOH"	115.000138
"1147810"	229.093901	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+3ACN+2H"	125.094202
"1697238"	465.120285	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+NH4+CF3COOH"	132.026685
"1637759"	470.07568	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+Na+CF3COOH"	136.98208
"1571947"	486.04962	"C18827"	"Ethalfluralin"	"C13H14F3N3O4"	"333.0936"	"M+K+CF3COOH"	152.95602
"808151"	209.1528	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M"	0
"978405"	190.13441	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-H2O-H"	-19.01839
"67740"	138.427924	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M-3H"	-3.021828
"508395"	208.145524	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M-3H"	-3.021828
"884012"	68.710324	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-3H"	-3.021828
"6959"	208.145524	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M-2H"	-2.014552
"441048"	312.721924	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M-2H"	-2.014552
"819220"	103.569124	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-2H"	-2.014552
"80427"	417.298324	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M-H"	-1.007276
"531174"	626.451124	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M-H"	-1.007276
"907883"	208.145524	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-H"	-1.007276
"54970"	434.324871	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M-2H+NH4"	16.019271
"495624"	643.477671	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M-2H+NH4"	16.019271
"869053"	225.172071	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-2H+NH4"	16.019271
"40234"	439.280266	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M-2H+Na"	20.974666
"473352"	648.433066	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M-2H+Na"	20.974666
"858688"	230.127466	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-2H+Na"	20.974666
"1630415"	230.127466	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Na-2H"	20.974666
"105845"	226.133863	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M-H+Cl"	33.962126
"544311"	330.710263	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M-H+Cl"	33.962126
"937827"	121.557463	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-H+Cl"	33.962126
"273102"	453.275002	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+Cl"	34.969402
"668807"	662.427802	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+Cl"	34.969402
"1277931"	244.122202	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Cl"	34.969402
"21580"	455.254206	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M-2H+K"	36.948606
"460413"	664.407006	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M-2H+K"	36.948606
"838942"	246.101406	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-2H+K"	36.948606
"1559518"	246.101406	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+K-2H"	36.948606
"947035"	254.150994	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-H+HCOOH"	44.998194
"365245"	463.303801	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+HCOOH-H"	44.998201
"349859"	477.319451	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+Hac-H"	59.013851
"1502339"	268.166651	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Hac-H"	59.013851
"962589"	276.132951	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-H+NaCOOH"	66.980151
"121708"	244.122202	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+2Cl"	69.938804
"557261"	348.698602	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+2Cl"	69.938804
"1023626"	139.545802	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2Cl"	69.938804
"1248920"	288.071685	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Br"	78.918885
"1307722"	290.127672	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Cl+HCOOH"	80.974872
"1322301"	312.109629	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Cl+NaCOOH"	102.956829
"914454"	322.138386	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M-H+CF3COOH"	112.985586
"1294442"	358.115064	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Cl+CF3COOH"	148.962264
"1372602"	174.140124	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H-2H2O"	-35.012676
"1386088"	192.1501	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H-H2O"	-17.0027
"286501"	419.312876	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+H"	1.007276
"683296"	628.465676	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+H"	1.007276
"1356366"	210.160076	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H"	1.007276
"130349"	210.160076	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+2H"	2.014552
"568459"	314.736476	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+2H"	2.014552
"1039809"	105.583676	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2H"	2.014552
"206623"	140.442476	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+3H"	3.021828
"651650"	210.160076	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+3H"	3.021828
"1167590"	70.724876	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+3H"	3.021828
"429769"	436.339423	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+NH4"	18.033823
"788577"	645.492223	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+NH4"	18.033823
"1684907"	227.186623	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+NH4"	18.033823
"331364"	218.6733495	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+H+NH4"	19.041099
"724879"	323.2497495	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+H+NH4"	19.041099
"1477722"	114.0969495	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H+NH4"	19.041099
"394092"	441.294818	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+Na"	22.989218
"756185"	650.447618	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+Na"	22.989218
"1610485"	232.142018	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Na"	22.989218
"329031"	221.151047	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+H+Na"	23.996494
"711855"	325.727447	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+H+Na"	23.996494
"1462516"	116.574647	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H+Na"	23.996494
"1060012"	78.05219	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2H+Na"	25.00377
"1267157"	242.186286	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+CH3OH+H"	33.033486
"383545"	457.268758	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+K"	38.963158
"745634"	666.421558	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+K"	38.963158
"1543677"	248.115958	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+K"	38.963158
"300849"	229.138017	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+H+K"	39.970434
"694364"	333.714417	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+H+K"	39.970434
"1447819"	124.561617	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H+K"	39.970434
"236786"	460.339426	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+ACN+H"	42.033826
"1211315"	251.186626	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+ACN+H"	42.033826
"1198490"	126.096951	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+ACN+2H"	43.041102
"194644"	463.27676	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+2Na-H"	44.97116
"636391"	672.42956	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+2Na-H"	44.97116
"1140991"	254.12396	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2Na-H"	44.97116
"182094"	232.142018	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+2Na"	45.978436
"626029"	336.718418	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+2Na"	45.978436
"1127345"	127.565618	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2Na"	45.978436
"1408681"	85.379504	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H+2Na"	46.985712
"1431439"	256.165546	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H+HCOOH"	47.012746
"232319"	237.17504	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+3H2O+2H"	56.04448
"1515278"	270.21759	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+IsoProp+H"	61.06479
"420434"	240.128988	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+Na+K"	61.952376
"779243"	344.705388	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+Na+K"	61.952376
"1673388"	135.552588	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Na+K"	61.952376
"259909"	482.321368	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+ACN+Na"	64.015768
"1233712"	273.168568	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+ACN+Na"	64.015768
"1719312"	273.192093	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+NH4+HCOOH"	64.039293
"1190140"	92.706818	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+3Na"	68.967654
"1658939"	278.147488	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Na+HCOOH"	68.994688
"166893"	495.22464	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+2K-H"	76.91904
"606453"	704.37744	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+2K-H"	76.91904
"1096433"	286.07184	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2K-H"	76.91904
"152157"	248.115958	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"2M+2K"	77.926316
"587341"	352.692358	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"3M+2K"	77.926316
"1076228"	143.539558	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2K"	77.926316
"1107248"	288.086392	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2K+H"	78.933592
"1341447"	288.174007	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+DMSO+H"	79.021207
"1010707"	292.213176	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2ACN+H"	83.060376
"1528110"	293.206808	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+IsoProp+Na+H"	84.054008
"992370"	146.610226	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+2ACN+2H"	84.067652
"1589784"	294.121428	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+K+HCOOH"	84.968628
"1414958"	324.152938	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+H+CF3COOH"	115.000138
"1147556"	167.123501	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+3ACN+2H"	125.094202
"1697186"	341.179485	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+NH4+CF3COOH"	132.026685
"1636774"	346.13488	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+Na+CF3COOH"	136.98208
"1572058"	362.10882	"C18828"	"Ethirimol"	"C11H19N3O"	"209.1528"	"M+K+CF3COOH"	152.95602
"808261"	286.0875	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M"	0
"978515"	267.06911	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-H2O-H"	-19.01839
"66757"	189.717724	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M-3H"	-3.021828
"510692"	285.080224	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M-3H"	-3.021828
"888496"	94.355224	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-3H"	-3.021828
"9256"	285.080224	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M-2H"	-2.014552
"440916"	428.123974	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M-2H"	-2.014552
"817263"	142.036474	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-2H"	-2.014552
"82238"	571.167724	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M-H"	-1.007276
"531645"	857.255224	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M-H"	-1.007276
"906167"	285.080224	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-H"	-1.007276
"60542"	588.194271	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M-2H+NH4"	16.019271
"495727"	874.281771	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M-2H+NH4"	16.019271
"866602"	302.106771	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-2H+NH4"	16.019271
"41437"	593.149666	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M-2H+Na"	20.974666
"474434"	879.237166	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M-2H+Na"	20.974666
"858798"	307.062166	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-2H+Na"	20.974666
"1627246"	307.062166	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Na-2H"	20.974666
"105955"	303.068563	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M-H+Cl"	33.962126
"544421"	446.112313	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M-H+Cl"	33.962126
"937937"	160.024813	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-H+Cl"	33.962126
"273212"	607.144402	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+Cl"	34.969402
"667824"	893.231902	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+Cl"	34.969402
"1276948"	321.056902	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Cl"	34.969402
"19503"	609.123606	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M-2H+K"	36.948606
"458700"	895.211106	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M-2H+K"	36.948606
"837958"	323.036106	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-2H+K"	36.948606
"1559629"	323.036106	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+K-2H"	36.948606
"946780"	331.085694	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-H+HCOOH"	44.998194
"364627"	617.173201	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+HCOOH-H"	44.998201
"349969"	631.188851	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+Hac-H"	59.013851
"1499169"	345.101351	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Hac-H"	59.013851
"963062"	353.067651	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-H+NaCOOH"	66.980151
"117809"	321.056902	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+2Cl"	69.938804
"555548"	464.100652	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+2Cl"	69.938804
"1023615"	178.013152	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2Cl"	69.938804
"1244652"	365.006385	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Br"	78.918885
"1307465"	367.062372	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Cl+HCOOH"	80.974872
"1323140"	389.044329	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Cl+NaCOOH"	102.956829
"913835"	399.073086	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M-H+CF3COOH"	112.985586
"1293459"	435.049764	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Cl+CF3COOH"	148.962264
"1372712"	251.074824	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H-2H2O"	-35.012676
"1386198"	269.0848	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H-H2O"	-17.0027
"284788"	573.182276	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+H"	1.007276
"683407"	859.269776	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+H"	1.007276
"1357571"	287.094776	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H"	1.007276
"129366"	287.094776	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+2H"	2.014552
"568203"	430.138526	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+2H"	2.014552
"1042104"	144.051026	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2H"	2.014552
"210013"	191.732276	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+3H"	3.021828
"649573"	287.094776	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+3H"	3.021828
"1169886"	96.369776	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+3H"	3.021828
"428785"	590.208823	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+NH4"	18.033823
"790872"	876.296323	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+NH4"	18.033823
"1686110"	304.121323	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+NH4"	18.033823
"331110"	295.6080495	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+H+NH4"	19.041099
"724138"	438.6517995	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+H+NH4"	19.041099
"1477509"	152.5642995	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H+NH4"	19.041099
"394082"	595.164218	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+Na"	22.989218
"755566"	881.251718	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+Na"	22.989218
"1612782"	309.076718	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Na"	22.989218
"327197"	298.085747	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+H+Na"	23.996494
"718524"	441.129497	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+H+Na"	23.996494
"1470157"	155.041997	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H+Na"	23.996494
"1060122"	103.69709	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2H+Na"	25.00377
"1265080"	319.120986	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+CH3OH+H"	33.033486
"385841"	611.138158	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+K"	38.963158
"741004"	897.225658	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+K"	38.963158
"1541233"	325.050658	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+K"	38.963158
"299501"	306.072717	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+H+K"	39.970434
"691678"	449.116467	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+H+K"	39.970434
"1447926"	163.028967	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H+K"	39.970434
"237985"	614.208826	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+ACN+H"	42.033826
"1210701"	328.121326	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+ACN+H"	42.033826
"1198600"	164.564301	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+ACN+2H"	43.041102
"192566"	617.14616	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+2Na-H"	44.97116
"633220"	903.23366	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+2Na-H"	44.97116
"1142193"	331.05866	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2Na-H"	44.97116
"182204"	309.076718	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+2Na"	45.978436
"619578"	452.120468	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+2Na"	45.978436
"1121988"	166.032968	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2Na"	45.978436
"1405511"	111.024404	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H+2Na"	46.985712
"1433249"	333.100246	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H+HCOOH"	47.012746
"226232"	314.10974	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+3H2O+2H"	56.04448
"1514294"	347.15229	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+IsoProp+H"	61.06479
"420544"	317.063688	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+Na+K"	61.952376
"781541"	460.107438	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+Na+K"	61.952376
"1677871"	174.019938	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Na+K"	61.952376
"261112"	636.190768	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+ACN+Na"	64.015768
"1234915"	350.103268	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+ACN+Na"	64.015768
"1722704"	350.126793	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+NH4+HCOOH"	64.039293
"1190249"	118.351718	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+3Na"	68.967654
"1661235"	355.082188	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Na+HCOOH"	68.994688
"172229"	649.09404	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+2K-H"	76.91904
"607657"	935.18154	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+2K-H"	76.91904
"1097637"	363.00654	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2K-H"	76.91904
"152268"	325.050658	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"2M+2K"	77.926316
"586358"	468.094408	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"3M+2K"	77.926316
"1077430"	182.006908	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2K"	77.926316
"1107361"	365.021092	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2K+H"	78.933592
"1342652"	365.108707	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+DMSO+H"	79.021207
"1011185"	369.147876	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2ACN+H"	83.060376
"1526760"	370.141508	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+IsoProp+Na+H"	84.054008
"992111"	185.077576	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+2ACN+2H"	84.067652
"1589165"	371.056128	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+K+HCOOH"	84.968628
"1415066"	401.087638	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+H+CF3COOH"	115.000138
"1148033"	205.590851	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+3ACN+2H"	125.094202
"1697133"	418.114185	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+NH4+CF3COOH"	132.026685
"1637249"	423.06958	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+Na+CF3COOH"	136.98208
"1572899"	439.04352	"C18829"	"Ethofumesate"	"C13H18O5S"	"286.0875"	"M+K+CF3COOH"	152.95602
"808371"	215.1521	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M"	0
"981906"	196.13371	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-H2O-H"	-19.01839
"67961"	142.427457333333	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M-3H"	-3.021828
"510802"	214.144824	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M-3H"	-3.021828
"890794"	70.7100906666667	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-3H"	-3.021828
"9367"	214.144824	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M-2H"	-2.014552
"442367"	321.720874	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M-2H"	-2.014552
"819313"	106.568774	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-2H"	-2.014552
"87817"	429.296924	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M-H"	-1.007276
"530663"	644.449024	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M-H"	-1.007276
"906280"	214.144824	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-H"	-1.007276
"59559"	446.323471	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M-2H+NH4"	16.019271
"495837"	661.475571	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M-2H+NH4"	16.019271
"866348"	231.171371	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-2H+NH4"	16.019271
"40454"	451.278866	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M-2H+Na"	20.974666
"480013"	666.430966	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M-2H+Na"	20.974666
"855629"	236.126766	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-2H+Na"	20.974666
"1629178"	236.126766	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Na-2H"	20.974666
"104972"	232.133163	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M-H+Cl"	33.962126
"542344"	339.709213	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M-H+Cl"	33.962126
"934766"	124.557113	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-H+Cl"	33.962126
"272593"	465.273602	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+Cl"	34.969402
"663926"	680.425702	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+Cl"	34.969402
"1278881"	250.121502	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Cl"	34.969402
"19248"	467.252806	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M-2H+K"	36.948606
"459174"	682.404906	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M-2H+K"	36.948606
"836245"	252.100706	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-2H+K"	36.948606
"1559011"	252.100706	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+K-2H"	36.948606
"943610"	260.150294	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-H+HCOOH"	44.998194
"366199"	475.302401	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+HCOOH-H"	44.998201
"349352"	489.318051	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+Hac-H"	59.013851
"1499279"	274.165951	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Hac-H"	59.013851
"963174"	282.132251	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-H+NaCOOH"	66.980151
"113908"	250.121502	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+2Cl"	69.938804
"555291"	357.697552	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+2Cl"	69.938804
"1028465"	142.545452	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2Cl"	69.938804
"1244762"	294.070985	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Br"	78.918885
"1307210"	296.126972	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Cl+HCOOH"	80.974872
"1321060"	318.108929	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Cl+NaCOOH"	102.956829
"913945"	328.137686	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M-H+CF3COOH"	112.985586
"1293569"	364.114364	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Cl+CF3COOH"	148.962264
"1372822"	180.139424	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H-2H2O"	-35.012676
"1389224"	198.1494	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H-H2O"	-17.0027
"284898"	431.311476	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+H"	1.007276
"677685"	646.463576	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+H"	1.007276
"1354401"	216.159376	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H"	1.007276
"127289"	216.159376	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+2H"	2.014552
"568313"	323.735426	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+2H"	2.014552
"1042214"	108.583326	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2H"	2.014552
"210123"	144.442009333333	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+3H"	3.021828
"649683"	216.159376	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+3H"	3.021828
"1171090"	72.7246426666667	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+3H"	3.021828
"429988"	448.338023	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+NH4"	18.033823
"790983"	663.490123	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+NH4"	18.033823
"1682942"	233.185923	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+NH4"	18.033823
"332313"	224.6726495	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+H+NH4"	19.041099
"726923"	332.2486995	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+H+NH4"	19.041099
"1477945"	117.0965995	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H+NH4"	19.041099
"393949"	453.293418	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+Na"	22.989218
"758229"	668.445518	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+Na"	22.989218
"1609611"	238.141318	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Na"	22.989218
"324026"	227.150347	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+H+Na"	23.996494
"716446"	334.726397	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+H+Na"	23.996494
"1464434"	119.574297	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H+Na"	23.996494
"1061325"	80.0519566666667	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2H+Na"	25.00377
"1264097"	248.185586	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+CH3OH+H"	33.033486
"385952"	469.267358	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+K"	38.963158
"745852"	684.419458	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+K"	38.963158
"1542073"	254.115258	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+K"	38.963158
"301068"	235.137317	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+H+K"	39.970434
"692033"	342.713367	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+H+K"	39.970434
"1448402"	127.561267	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H+K"	39.970434
"237366"	472.338026	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+ACN+H"	42.033826
"1211172"	257.185926	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+ACN+H"	42.033826
"1198710"	129.096601	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+ACN+2H"	43.041102
"192677"	475.27536	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+2Na-H"	44.97116
"630050"	690.42746	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+2Na-H"	44.97116
"1140116"	260.12326	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2Na-H"	44.97116
"177940"	238.141318	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+2Na"	45.978436
"618594"	345.717368	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+2Na"	45.978436
"1124285"	130.565268	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2Na"	45.978436
"1400154"	87.3792706666667	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H+2Na"	46.985712
"1432266"	262.164846	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H+HCOOH"	47.012746
"225249"	243.17434	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+3H2O+2H"	56.04448
"1514404"	276.21689	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+IsoProp+H"	61.06479
"419561"	246.128288	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+Na+K"	61.952376
"779462"	353.704338	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+Na+K"	61.952376
"1676888"	138.552238	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Na+K"	61.952376
"263407"	494.319968	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+ACN+Na"	64.015768
"1233930"	279.167868	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+ACN+Na"	64.015768
"1719168"	279.191393	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+NH4+HCOOH"	64.039293
"1187079"	94.7065846666667	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+3Na"	68.967654
"1659158"	284.146788	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Na+HCOOH"	68.994688
"171488"	507.22324	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+2K-H"	76.91904
"603393"	722.37534	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+2K-H"	76.91904
"1097747"	292.07114	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2K-H"	76.91904
"149097"	254.115258	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"2M+2K"	77.926316
"586469"	361.691308	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"3M+2K"	77.926316
"1077543"	146.539208	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2K"	77.926316
"1105285"	294.085692	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2K+H"	78.933592
"1342763"	294.173307	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+DMSO+H"	79.021207
"1011294"	298.212476	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2ACN+H"	83.060376
"1529424"	299.206108	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+IsoProp+Na+H"	84.054008
"995871"	149.609876	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+2ACN+2H"	84.067652
"1588184"	300.120728	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+K+HCOOH"	84.968628
"1415059"	330.152238	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+H+CF3COOH"	115.000138
"1148140"	170.123151	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+3ACN+2H"	125.094202
"1697068"	347.178785	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+NH4+CF3COOH"	132.026685
"1638088"	352.13418	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+Na+CF3COOH"	136.98208
"1572645"	368.10812	"C18830"	"Ethyl 3-(N-butylacetamido)propionate;Ethyl butylacetylaminopropionate"	"C11H21NO3"	"215.1521"	"M+K+CF3COOH"	152.95602
"808481"	400.9059	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M"	0
"982013"	381.88751	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-H2O-H"	-19.01839
"70258"	266.263324	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M-3H"	-3.021828
"513099"	399.898624	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M-3H"	-3.021828
"892727"	132.628024	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-3H"	-3.021828
"14217"	399.898624	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M-2H"	-2.014552
"444663"	600.351574	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M-2H"	-2.014552
"819184"	199.445674	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-2H"	-2.014552
"81725"	800.804524	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M-H"	-1.007276
"530409"	1201.710424	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M-H"	-1.007276
"905296"	399.898624	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-H"	-1.007276
"57482"	817.831071	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M-2H+NH4"	16.019271
"492667"	1218.736971	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M-2H+NH4"	16.019271
"864878"	416.925171	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-2H+NH4"	16.019271
"39471"	822.786466	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M-2H+Na"	20.974666
"480123"	1223.692366	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M-2H+Na"	20.974666
"860844"	421.880566	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-2H+Na"	20.974666
"1624184"	421.880566	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Na-2H"	20.974666
"101806"	417.886963	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M-H+Cl"	33.962126
"541365"	618.339913	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M-H+Cl"	33.962126
"934876"	217.434013	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-H+Cl"	33.962126
"270151"	836.781202	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+Cl"	34.969402
"666588"	1237.687102	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+Cl"	34.969402
"1277899"	435.875302	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Cl"	34.969402
"20452"	838.760406	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M-2H+K"	36.948606
"461107"	1239.666306	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M-2H+K"	36.948606
"838907"	437.854506	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-2H+K"	36.948606
"1562767"	437.854506	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+K-2H"	36.948606
"944814"	445.904094	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-H+HCOOH"	44.998194
"369956"	846.810001	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+HCOOH-H"	44.998201
"351285"	860.825651	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+Hac-H"	59.013851
"1499754"	459.919751	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Hac-H"	59.013851
"965107"	467.886051	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-H+NaCOOH"	66.980151
"114382"	435.875302	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+2Cl"	69.938804
"555765"	636.328252	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+2Cl"	69.938804
"1032950"	235.422352	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2Cl"	69.938804
"1244872"	479.824785	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Br"	78.918885
"1310967"	481.880772	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Cl+HCOOH"	80.974872
"1322266"	503.862729	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Cl+NaCOOH"	102.956829
"916242"	513.891486	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M-H+CF3COOH"	112.985586
"1290880"	549.868164	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Cl+CF3COOH"	148.962264
"1368433"	365.893224	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H-2H2O"	-35.012676
"1386053"	383.9032	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H-H2O"	-17.0027
"284522"	802.819076	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+H"	1.007276
"677916"	1203.724976	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+H"	1.007276
"1354144"	401.913176	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H"	1.007276
"127396"	401.913176	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+2H"	2.014552
"572431"	602.366126	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+2H"	2.014552
"1042324"	201.460226	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2H"	2.014552
"218616"	268.277876	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+3H"	3.021828
"654166"	401.913176	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+3H"	3.021828
"1167919"	134.642576	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+3H"	3.021828
"430097"	819.845623	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+NH4"	18.033823
"792186"	1220.751523	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+NH4"	18.033823
"1687424"	418.939723	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+NH4"	18.033823
"335702"	410.4264495	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+H+NH4"	19.041099
"728127"	610.8793995	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+H+NH4"	19.041099
"1478907"	209.9734995	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H+NH4"	19.041099
"396248"	824.801018	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+Na"	22.989218
"756152"	1225.706918	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+Na"	22.989218
"1609721"	423.895118	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Na"	22.989218
"325230"	412.904147	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+H+Na"	23.996494
"715464"	613.357097	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+H+Na"	23.996494
"1465275"	212.451197	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H+Na"	23.996494
"1058156"	141.96989	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2H+Na"	25.00377
"1264208"	433.939386	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+CH3OH+H"	33.033486
"382783"	840.774958	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+K"	38.963158
"745962"	1241.680858	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+K"	38.963158
"1541453"	439.869058	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+K"	38.963158
"299841"	420.891117	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+H+K"	39.970434
"693598"	621.344067	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+H+K"	39.970434
"1447781"	220.438167	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H+K"	39.970434
"240027"	843.845626	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+ACN+H"	42.033826
"1214926"	442.939726	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+ACN+H"	42.033826
"1195894"	221.973501	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+ACN+2H"	43.041102
"190593"	846.78296	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+2Na-H"	44.97116
"630160"	1247.68886	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+2Na-H"	44.97116
"1139133"	445.87706	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2Na-H"	44.97116
"180237"	423.895118	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+2Na"	45.978436
"619797"	624.348068	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+2Na"	45.978436
"1117469"	223.442168	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2Na"	45.978436
"1399082"	149.297204	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H+2Na"	46.985712
"1432376"	447.918646	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H+HCOOH"	47.012746
"226452"	428.92814	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+3H2O+2H"	56.04448
"1510503"	461.97069	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+IsoProp+H"	61.06479
"412382"	431.882088	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+Na+K"	61.952376
"775199"	632.335038	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+Na+K"	61.952376
"1668612"	231.429138	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Na+K"	61.952376
"256955"	865.827568	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+ACN+Na"	64.015768
"1228567"	464.921668	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+ACN+Na"	64.015768
"1719643"	464.945193	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+NH4+HCOOH"	64.039293
"1184266"	156.624518	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+3Na"	68.967654
"1654894"	469.900588	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Na+HCOOH"	68.994688
"166130"	878.73084	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+2K-H"	76.91904
"604597"	1279.63674	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+2K-H"	76.91904
"1095670"	477.82494	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2K-H"	76.91904
"151394"	439.869058	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"2M+2K"	77.926316
"586580"	640.322008	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"3M+2K"	77.926316
"1076560"	239.416108	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2K"	77.926316
"1106488"	479.839492	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2K+H"	78.933592
"1342873"	479.927107	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+DMSO+H"	79.021207
"1012497"	483.966276	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2ACN+H"	83.060376
"1530627"	484.959908	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+IsoProp+Na+H"	84.054008
"995981"	242.486776	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+2ACN+2H"	84.067652
"1587931"	485.874528	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+K+HCOOH"	84.968628
"1415413"	515.906038	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+H+CF3COOH"	115.000138
"1147643"	263.000051	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+3ACN+2H"	125.094202
"1697103"	532.932585	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+NH4+CF3COOH"	132.026685
"1637105"	537.88798	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+Na+CF3COOH"	136.98208
"1571662"	553.86192	"C18831"	"Fenchlorazole-ethyl"	"C12H8Cl5N3O2"	"400.9059"	"M+K+CF3COOH"	152.95602
"811871"	223.9908	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M"	0
"984310"	204.97241	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-H2O-H"	-19.01839
"71461"	148.319924	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M-3H"	-3.021828
"515396"	222.983524	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M-3H"	-3.021828
"895310"	73.656324	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-3H"	-3.021828
"15056"	222.983524	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M-2H"	-2.014552
"445867"	334.978924	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M-2H"	-2.014552
"822574"	110.988124	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-2H"	-2.014552
"82565"	446.974324	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M-H"	-1.007276
"529427"	670.965124	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M-H"	-1.007276
"903218"	222.983524	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-H"	-1.007276
"56499"	464.000871	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M-2H+NH4"	16.019271
"496057"	687.991671	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M-2H+NH4"	16.019271
"867298"	240.010071	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-2H+NH4"	16.019271
"33134"	468.956266	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M-2H+Na"	20.974666
"480233"	692.947066	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M-2H+Na"	20.974666
"858039"	244.965466	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-2H+Na"	20.974666
"1625389"	244.965466	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Na-2H"	20.974666
"100822"	240.971863	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M-H+Cl"	33.962126
"540381"	352.967263	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M-H+Cl"	33.962126
"937172"	128.976463	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-H+Cl"	33.962126
"276821"	482.951002	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+Cl"	34.969402
"668521"	706.941802	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+Cl"	34.969402
"1280560"	258.960202	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Cl"	34.969402
"23478"	484.930206	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M-2H+K"	36.948606
"464134"	708.921006	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M-2H+K"	36.948606
"841205"	260.939406	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-2H+K"	36.948606
"1561784"	260.939406	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+K-2H"	36.948606
"949299"	268.988994	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-H+HCOOH"	44.998194
"368243"	492.979801	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+HCOOH-H"	44.998201
"355041"	506.995451	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+Hac-H"	59.013851
"1499136"	283.004651	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Hac-H"	59.013851
"965948"	290.970951	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-H+NaCOOH"	66.980151
"114495"	258.960202	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+2Cl"	69.938804
"560981"	370.955602	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+2Cl"	69.938804
"1030873"	146.964802	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2Cl"	69.938804
"1250453"	302.909685	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Br"	78.918885
"1312901"	304.965672	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Cl+HCOOH"	80.974872
"1330398"	326.947629	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Cl+NaCOOH"	102.956829
"920363"	336.976386	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M-H+CF3COOH"	112.985586
"1295246"	372.953064	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Cl+CF3COOH"	148.962264
"1370126"	188.978124	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H-2H2O"	-35.012676
"1384704"	206.9881	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H-H2O"	-17.0027
"288036"	448.988876	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+H"	1.007276
"676809"	672.979676	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+H"	1.007276
"1351453"	224.998076	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H"	1.007276
"126169"	224.998076	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+2H"	2.014552
"572542"	336.993476	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+2H"	2.014552
"1040613"	113.002676	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2H"	2.014552
"219090"	150.334476	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+3H"	3.021828
"655370"	224.998076	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+3H"	3.021828
"1172403"	75.670876	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+3H"	3.021828
"437862"	466.015423	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+NH4"	18.033823
"798493"	690.006223	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+NH4"	18.033823
"1691908"	242.024623	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+NH4"	18.033823
"342374"	233.5113495	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+H+NH4"	19.041099
"731517"	345.5067495	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+H+NH4"	19.041099
"1482057"	121.5159495	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H+NH4"	19.041099
"398548"	470.970818	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+Na"	22.989218
"760638"	694.961618	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+Na"	22.989218
"1609831"	246.980018	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Na"	22.989218
"328136"	235.989047	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+H+Na"	23.996494
"722139"	347.984447	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+H+Na"	23.996494
"1465022"	123.993647	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H+Na"	23.996494
"1059361"	82.99819	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2H+Na"	25.00377
"1263226"	257.024286	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+CH3OH+H"	33.033486
"388361"	486.944758	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+K"	38.963158
"749354"	710.935558	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+K"	38.963158
"1548126"	262.953958	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+K"	38.963158
"301292"	243.976017	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+H+K"	39.970434
"695535"	355.971417	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+H+K"	39.970434
"1448987"	131.980617	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H+K"	39.970434
"239412"	490.015426	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+ACN+H"	42.033826
"1219413"	266.024626	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+ACN+H"	42.033826
"1196731"	133.515951	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+ACN+2H"	43.041102
"191800"	492.95276	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+2Na-H"	44.97116
"639017"	716.94356	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+2Na-H"	44.97116
"1142160"	268.96196	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2Na-H"	44.97116
"180349"	246.980018	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+2Na"	45.978436
"622094"	358.975418	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+2Na"	45.978436
"1120131"	134.984618	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2Na"	45.978436
"1400373"	90.325504	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H+2Na"	46.985712
"1430664"	271.003546	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H+HCOOH"	47.012746
"229843"	252.01304	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+3H2O+2H"	56.04448
"1510249"	285.05559	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+IsoProp+H"	61.06479
"412494"	254.966988	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+Na+K"	61.952376
"776039"	366.962388	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+Na+K"	61.952376
"1670545"	142.971588	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Na+K"	61.952376
"255243"	511.997368	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+ACN+Na"	64.015768
"1226855"	288.006568	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+ACN+Na"	64.015768
"1717567"	288.030093	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+NH4+HCOOH"	64.039293
"1184015"	97.652818	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+3Na"	68.967654
"1657191"	292.985488	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Na+HCOOH"	68.994688
"166240"	524.90064	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+2K-H"	76.91904
"605800"	748.89144	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+2K-H"	76.91904
"1094687"	300.90984	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2K-H"	76.91904
"153691"	262.953958	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"2M+2K"	77.926316
"588877"	374.949358	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"3M+2K"	77.926316
"1076670"	150.958558	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2K"	77.926316
"1105505"	302.924392	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2K+H"	78.933592
"1341890"	303.012007	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+DMSO+H"	79.021207
"1011513"	307.051176	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2ACN+H"	83.060376
"1529638"	308.044808	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+IsoProp+Na+H"	84.054008
"999372"	154.029226	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+2ACN+2H"	84.067652
"1590594"	308.959428	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+K+HCOOH"	84.968628
"1416253"	338.990938	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+H+CF3COOH"	115.000138
"1148727"	174.542501	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+3ACN+2H"	125.094202
"1700467"	356.017485	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+NH4+CF3COOH"	132.026685
"1637215"	360.97288	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+Na+CF3COOH"	136.98208
"1571772"	376.94682	"C18832"	"Fenclorim"	"C10H6Cl2N2"	"223.9908"	"M+K+CF3COOH"	152.95602
"808701"	201.079	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M"	0
"985514"	182.06061	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-H2O-H"	-19.01839
"65011"	133.045390666667	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M-3H"	-3.021828
"512225"	200.071724	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M-3H"	-3.021828
"895133"	66.0190573333333	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-3H"	-3.021828
"13344"	200.071724	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M-2H"	-2.014552
"443790"	300.611224	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M-2H"	-2.014552
"819768"	99.532224	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-2H"	-2.014552
"81216"	401.150724	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M-H"	-1.007276
"528806"	602.229724	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M-H"	-1.007276
"903328"	200.071724	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-H"	-1.007276
"55515"	418.177271	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M-2H+NH4"	16.019271
"492887"	619.256271	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M-2H+NH4"	16.019271
"867408"	217.098271	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-2H+NH4"	16.019271
"33244"	423.132666	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M-2H+Na"	20.974666
"483625"	624.211666	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M-2H+Na"	20.974666
"862888"	222.053666	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-2H+Na"	20.974666
"1630966"	222.053666	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Na-2H"	20.974666
"107128"	218.060063	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M-H+Cl"	33.962126
"547050"	318.599563	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M-H+Cl"	33.962126
"935096"	117.520563	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-H+Cl"	33.962126
"278026"	437.127402	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+Cl"	34.969402
"671546"	638.206402	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+Cl"	34.969402
"1286136"	236.048402	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Cl"	34.969402
"23588"	439.106606	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M-2H+K"	36.948606
"467159"	640.185606	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M-2H+K"	36.948606
"840949"	238.027606	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-2H+K"	36.948606
"1567360"	238.027606	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+K-2H"	36.948606
"950868"	246.077194	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-H+HCOOH"	44.998194
"369082"	447.156201	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+HCOOH-H"	44.998201
"355150"	461.171851	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+Hac-H"	59.013851
"1500704"	260.092851	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Hac-H"	59.013851
"964236"	268.059151	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-H+NaCOOH"	66.980151
"117156"	236.048402	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+2Cl"	69.938804
"558904"	336.587902	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+2Cl"	69.938804
"1031347"	135.508902	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2Cl"	69.938804
"1250561"	279.997885	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Br"	78.918885
"1306446"	282.053872	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Cl+HCOOH"	80.974872
"1321757"	304.035829	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Cl+NaCOOH"	102.956829
"916098"	314.064586	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M-H+CF3COOH"	112.985586
"1291346"	350.041264	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Cl+CF3COOH"	148.962264
"1370600"	166.066324	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H-2H2O"	-35.012676
"1385543"	184.0763	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H-H2O"	-17.0027
"284501"	403.165276	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+H"	1.007276
"676557"	604.244276	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+H"	1.007276
"1352174"	202.086276	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H"	1.007276
"130897"	202.086276	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+2H"	2.014552
"565960"	302.625776	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+2H"	2.014552
"1037805"	101.546776	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2H"	2.014552
"218106"	135.059942666667	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+3H"	3.021828
"657666"	202.086276	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+3H"	3.021828
"1172513"	68.0336093333333	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+3H"	3.021828
"438338"	420.191823	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+NH4"	18.033823
"801034"	621.270823	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+NH4"	18.033823
"1692017"	219.112823	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+NH4"	18.033823
"342122"	210.5995495	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+H+NH4"	19.041099
"731627"	311.1390495	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+H+NH4"	19.041099
"1484353"	110.0600495	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H+NH4"	19.041099
"401938"	425.147218	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+Na"	22.989218
"765121"	626.226218	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+Na"	22.989218
"1609941"	224.068218	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Na"	22.989218
"329790"	213.077247	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+H+Na"	23.996494
"721151"	313.616747	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+H+Na"	23.996494
"1466225"	112.537747	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H+Na"	23.996494
"1059470"	75.3609233333333	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2H+Na"	25.00377
"1265523"	234.112486	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+CH3OH+H"	33.033486
"390658"	441.121158	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+K"	38.963158
"751651"	642.200158	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+K"	38.963158
"1549329"	240.042158	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+K"	38.963158
"303224"	221.064217	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+H+K"	39.970434
"697831"	321.603717	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+H+K"	39.970434
"1448370"	120.524717	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H+K"	39.970434
"242440"	444.191826	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+ACN+H"	42.033826
"1216244"	243.112826	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+ACN+H"	42.033826
"1196843"	122.060051	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+ACN+2H"	43.041102
"191910"	447.12916	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+2Na-H"	44.97116
"638034"	648.20816	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+2Na-H"	44.97116
"1141541"	246.05016	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2Na-H"	44.97116
"183739"	224.068218	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+2Na"	45.978436
"621111"	324.607718	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+2Na"	45.978436
"1122428"	123.528718	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2Na"	45.978436
"1399266"	82.6882373333333	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H+2Na"	46.985712
"1430895"	248.091746	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H+HCOOH"	47.012746
"225577"	229.10124	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+3H2O+2H"	56.04448
"1511452"	262.14379	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+IsoProp+H"	61.06479
"416611"	232.055188	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+Na+K"	61.952376
"779792"	332.594688	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+Na+K"	61.952376
"1667373"	131.515688	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Na+K"	61.952376
"253529"	466.173768	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+ACN+Na"	64.015768
"1226965"	265.094768	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+ACN+Na"	64.015768
"1714758"	265.118293	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+NH4+HCOOH"	64.039293
"1186311"	90.0155513333333	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+3Na"	68.967654
"1657301"	270.073688	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Na+HCOOH"	68.994688
"169630"	479.07704	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+2K-H"	76.91904
"605910"	680.15604	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+2K-H"	76.91904
"1093703"	277.99804	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2K-H"	76.91904
"153801"	240.042158	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"2M+2K"	77.926316
"585707"	340.581658	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"3M+2K"	77.926316
"1073498"	139.502658	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2K"	77.926316
"1106709"	280.012592	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2K+H"	78.933592
"1340907"	280.100207	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+DMSO+H"	79.021207
"1013809"	284.139376	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2ACN+H"	83.060376
"1533028"	285.133008	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+IsoProp+Na+H"	84.054008
"996202"	142.573326	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+2ACN+2H"	84.067652
"1588272"	286.047628	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+K+HCOOH"	84.968628
"1416359"	316.079138	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+H+CF3COOH"	115.000138
"1147740"	163.086601	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+3ACN+2H"	125.094202
"1699484"	333.105685	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+NH4+CF3COOH"	132.026685
"1637325"	338.06108	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+Na+CF3COOH"	136.98208
"1572246"	354.03502	"C18833"	"Fenfuram"	"C12H11NO2"	"201.079"	"M+K+CF3COOH"	152.95602
"808811"	895.1626	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M"	0
"979063"	876.14421	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H2O-H"	-19.01839
"65121"	595.767790666667	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-3H"	-3.021828
"510149"	894.155324	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-3H"	-3.021828
"893421"	297.380257333333	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-3H"	-3.021828
"13087"	894.155324	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H"	-2.014552
"449367"	1341.736624	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H"	-2.014552
"819514"	446.574024	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H"	-2.014552
"82056"	1789.317924	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-H"	-1.007276
"525636"	2684.480524	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-H"	-1.007276
"903438"	894.155324	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H"	-1.007276
"55625"	1806.344471	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+NH4"	16.019271
"489717"	2701.507071	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+NH4"	16.019271
"864324"	911.181871	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+NH4"	16.019271
"32260"	1811.299866	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+Na"	20.974666
"473159"	2706.462466	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+Na"	20.974666
"850596"	916.137266	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+Na"	20.974666
"1631076"	916.137266	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na-2H"	20.974666
"107967"	912.143663	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-H+Cl"	33.962126
"543880"	1359.724963	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-H+Cl"	33.962126
"935206"	464.562363	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+Cl"	33.962126
"275948"	1825.294602	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Cl"	34.969402
"670562"	2720.457202	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Cl"	34.969402
"1286246"	930.132002	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl"	34.969402
"23334"	1827.273806	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M-2H+K"	36.948606
"466176"	2722.436406	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M-2H+K"	36.948606
"840695"	932.111206	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-2H+K"	36.948606
"1567470"	932.111206	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K-2H"	36.948606
"952071"	940.160794	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+HCOOH"	44.998194
"370285"	1835.323401	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+HCOOH-H"	44.998201
"353073"	1849.339051	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Hac-H"	59.013851
"1499720"	954.176451	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Hac-H"	59.013851
"966167"	962.142751	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+NaCOOH"	66.980151
"113986"	930.132002	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Cl"	69.938804
"556827"	1377.713302	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Cl"	69.938804
"1032185"	482.550702	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Cl"	69.938804
"1250671"	974.081485	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Br"	78.918885
"1310932"	976.137472	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+HCOOH"	80.974872
"1320893"	998.119429	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+NaCOOH"	102.956829
"912439"	1008.148186	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M-H+CF3COOH"	112.985586
"1292915"	1044.124864	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Cl+CF3COOH"	148.962264
"1370345"	860.149924	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H-2H2O"	-35.012676
"1388570"	878.1599	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H-H2O"	-17.0027
"288257"	1791.332476	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H"	1.007276
"676543"	2686.495076	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H"	1.007276
"1351921"	896.169876	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H"	1.007276
"128820"	896.169876	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2H"	2.014552
"566313"	1343.751176	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2H"	2.014552
"1037380"	448.588576	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2H"	2.014552
"216759"	597.782342666667	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+3H"	3.021828
"653403"	896.169876	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+3H"	3.021828
"1177363"	299.394809333333	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3H"	3.021828
"438814"	1808.359023	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+NH4"	18.033823
"801110"	2703.521623	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+NH4"	18.033823
"1693221"	913.196423	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4"	18.033823
"341138"	904.6831495	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+NH4"	19.041099
"729548"	1352.2644495	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+NH4"	19.041099
"1483368"	457.1018495	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+NH4"	19.041099
"402048"	1813.314418	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Na"	22.989218
"766322"	2708.477018	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Na"	22.989218
"1610051"	918.151818	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na"	22.989218
"329448"	907.160847	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+Na"	23.996494
"722112"	1354.742147	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+Na"	23.996494
"1472894"	459.579547	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+Na"	23.996494
"1059580"	306.722123333333	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2H+Na"	25.00377
"1259801"	928.196086	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+CH3OH+H"	33.033486
"380927"	1829.288358	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+K"	38.963158
"752857"	2724.450958	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+K"	38.963158
"1553814"	934.125758	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K"	38.963158
"308801"	915.147817	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+H+K"	39.970434
"697943"	1362.729117	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+H+K"	39.970434
"1448116"	467.566517	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+K"	39.970434
"238903"	1832.359026	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+ACN+H"	42.033826
"1215260"	937.196426	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+H"	42.033826
"1196953"	469.101851	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+2H"	43.041102
"192020"	1835.29636	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Na-H"	44.97116
"637051"	2730.45896	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Na-H"	44.97116
"1138736"	940.13376	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Na-H"	44.97116
"181662"	918.151818	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2Na"	45.978436
"621221"	1365.733118	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2Na"	45.978436
"1122538"	470.570518	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2Na"	45.978436
"1399741"	314.049437333333	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+2Na"	46.985712
"1431248"	942.175346	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+HCOOH"	47.012746
"224594"	923.18484	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+3H2O+2H"	56.04448
"1509130"	956.22739	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+IsoProp+H"	61.06479
"416721"	926.138788	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+Na+K"	61.952376
"778809"	1373.720088	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+Na+K"	61.952376
"1666390"	478.557488	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+K"	61.952376
"253639"	1854.340968	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+ACN+Na"	64.015768
"1233273"	959.178368	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+ACN+Na"	64.015768
"1721066"	959.201893	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4+HCOOH"	64.039293
"1188608"	321.376751333333	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3Na"	68.967654
"1657411"	964.157288	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+HCOOH"	68.994688
"169740"	1867.24424	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2K-H"	76.91904
"603833"	2762.40684	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2K-H"	76.91904
"1099160"	972.08164	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K-H"	76.91904
"149537"	934.125758	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"2M+2K"	77.926316
"584723"	1381.707058	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"3M+2K"	77.926316
"1072517"	486.544458	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K"	77.926316
"1104633"	974.096192	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2K+H"	78.933592
"1341016"	974.183807	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+DMSO+H"	79.021207
"1011734"	978.222976	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2ACN+H"	83.060376
"1527671"	979.216608	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+IsoProp+Na+H"	84.054008
"998499"	489.615126	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+2ACN+2H"	84.067652
"1588259"	980.131228	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K+HCOOH"	84.968628
"1415012"	1010.162738	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+H+CF3COOH"	115.000138
"1147849"	510.128401	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+3ACN+2H"	125.094202
"1697062"	1027.189285	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+NH4+CF3COOH"	132.026685
"1637435"	1032.14468	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+Na+CF3COOH"	136.98208
"1571992"	1048.11862	"C18834"	"Propylmalonyl-CoA"	"C27H44N7O19P3S"	"895.1626"	"M+K+CF3COOH"	152.95602
"808921"	286.0841	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M"	0
"979173"	267.06571	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-H2O-H"	-19.01839
"75437"	189.715457333333	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M-3H"	-3.021828
"512444"	285.076824	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M-3H"	-3.021828
"892803"	94.3540906666667	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-3H"	-3.021828
"12833"	285.076824	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M-2H"	-2.014552
"450570"	428.118874	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M-2H"	-2.014552
"821811"	142.034774	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-2H"	-2.014552
"90916"	571.160924	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M-H"	-1.007276
"524652"	857.245024	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M-H"	-1.007276
"903548"	285.076824	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-H"	-1.007276
"53548"	588.187471	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M-2H+NH4"	16.019271
"488124"	874.271571	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M-2H+NH4"	16.019271
"864336"	302.103371	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-2H+NH4"	16.019271
"32491"	593.142866	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M-2H+Na"	20.974666
"473999"	879.226966	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M-2H+Na"	20.974666
"848799"	307.058766	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-2H+Na"	20.974666
"1620239"	307.058766	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Na-2H"	20.974666
"95674"	303.065163	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M-H+Cl"	33.962126
"540705"	446.107213	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M-H+Cl"	33.962126
"934223"	160.023113	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-H+Cl"	33.962126
"268889"	607.137602	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+Cl"	34.969402
"667391"	893.221702	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+Cl"	34.969402
"1275784"	321.053502	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Cl"	34.969402
"20527"	609.116806	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M-2H+K"	36.948606
"464099"	895.200906	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M-2H+K"	36.948606
"841898"	323.032706	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-2H+K"	36.948606
"1568673"	323.032706	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+K-2H"	36.948606
"954368"	331.082294	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-H+HCOOH"	44.998194
"371489"	617.166401	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+HCOOH-H"	44.998201
"354276"	631.182051	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+Hac-H"	59.013851
"1502017"	345.097951	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Hac-H"	59.013851
"970652"	353.064251	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-H+NaCOOH"	66.980151
"117376"	321.053502	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+2Cl"	69.938804
"560218"	464.095552	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+2Cl"	69.938804
"1032295"	178.011452	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2Cl"	69.938804
"1254061"	365.002985	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Br"	78.918885
"1312136"	367.058972	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Cl+HCOOH"	80.974872
"1321976"	389.040929	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Cl+NaCOOH"	102.956829
"919598"	399.069686	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M-H+CF3COOH"	112.985586
"1295212"	435.046364	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Cl+CF3COOH"	148.962264
"1372278"	251.071424	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H-2H2O"	-35.012676
"1389044"	269.0814	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H-H2O"	-17.0027
"289460"	573.175476	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+H"	1.007276
"676532"	859.259576	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+H"	1.007276
"1353123"	287.091376	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H"	1.007276
"130023"	287.091376	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+2H"	2.014552
"566787"	430.133426	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+2H"	2.014552
"1038019"	144.049326	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2H"	2.014552
"217233"	191.730009333333	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+3H"	3.021828
"653513"	287.091376	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+3H"	3.021828
"1175649"	96.3686426666667	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+3H"	3.021828
"437829"	590.202023	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+NH4"	18.033823
"801181"	876.286123	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+NH4"	18.033823
"1695765"	304.117923	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+NH4"	18.033823
"340154"	295.6046495	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+H+NH4"	19.041099
"731846"	438.6466995	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+H+NH4"	19.041099
"1484572"	152.5625995	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H+NH4"	19.041099
"401064"	595.157418	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+Na"	22.989218
"765338"	881.241518	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+Na"	22.989218
"1613440"	309.073318	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Na"	22.989218
"329845"	298.082347	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+H+Na"	23.996494
"721374"	441.124397	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+H+Na"	23.996494
"1471912"	155.040297	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H+Na"	23.996494
"1058597"	103.695956666667	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2H+Na"	25.00377
"1262463"	319.117586	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+CH3OH+H"	33.033486
"381038"	611.131358	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+K"	38.963158
"751874"	897.215458	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+K"	38.963158
"1552103"	325.047258	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+K"	38.963158
"307818"	306.069317	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+H+K"	39.970434
"699145"	449.111367	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+H+K"	39.970434
"1450778"	163.027267	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H+K"	39.970434
"239380"	614.202026	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+ACN+H"	42.033826
"1215370"	328.117926	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+ACN+H"	42.033826
"1197063"	164.562601	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+ACN+2H"	43.041102
"190297"	617.13936	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+2Na-H"	44.97116
"629010"	903.22346	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+2Na-H"	44.97116
"1139572"	331.05526	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2Na-H"	44.97116
"178489"	309.073318	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+2Na"	45.978436
"621331"	452.115368	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+2Na"	45.978436
"1121555"	166.031268	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2Na"	45.978436
"1399851"	111.023270666667	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H+2Na"	46.985712
"1430424"	333.096846	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H+HCOOH"	47.012746
"223611"	314.10634	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+3H2O+2H"	56.04448
"1509360"	347.14889	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+IsoProp+H"	61.06479
"417924"	317.060288	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+Na+K"	61.952376
"778919"	460.102338	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+Na+K"	61.952376
"1666500"	174.018238	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Na+K"	61.952376
"255208"	636.183968	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+ACN+Na"	64.015768
"1232290"	350.099868	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+ACN+Na"	64.015768
"1721176"	350.123393	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+NH4+HCOOH"	64.039293
"1186532"	118.350584666667	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+3Na"	68.967654
"1657521"	355.078788	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Na+HCOOH"	68.994688
"169850"	649.08724	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+2K-H"	76.91904
"608317"	935.17134	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+2K-H"	76.91904
"1099028"	363.00314	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2K-H"	76.91904
"149647"	325.047258	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"2M+2K"	77.926316
"587020"	468.089308	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"3M+2K"	77.926316
"1072627"	182.005208	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2K"	77.926316
"1104743"	365.017692	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2K+H"	78.933592
"1341126"	365.105307	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+DMSO+H"	79.021207
"1014031"	369.144476	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2ACN+H"	83.060376
"1531061"	370.138108	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+IsoProp+Na+H"	84.054008
"996423"	185.075876	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+2ACN+2H"	84.067652
"1587641"	371.052728	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+K+HCOOH"	84.968628
"1415487"	401.084238	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+H+CF3COOH"	115.000138
"1147961"	205.589151	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+3ACN+2H"	125.094202
"1698971"	418.110785	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+NH4+CF3COOH"	132.026685
"1640825"	423.06618	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+Na+CF3COOH"	136.98208
"1572102"	439.04012	"C18835"	"(R)-DNPA"	"C16H14O5"	"286.0841"	"M+K+CF3COOH"	152.95602
"809031"	304.0947	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M"	0
"979283"	285.07631	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-H2O-H"	-19.01839
"77368"	201.722524	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M-3H"	-3.021828
"513647"	303.087424	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M-3H"	-3.021828
"894006"	100.357624	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-3H"	-3.021828
"13308"	303.087424	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M-2H"	-2.014552
"454689"	455.134774	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M-2H"	-2.014552
"821921"	151.040074	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-2H"	-2.014552
"92119"	607.182124	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M-H"	-1.007276
"524762"	911.276824	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M-H"	-1.007276
"900378"	303.087424	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-H"	-1.007276
"48311"	624.208671	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M-2H+NH4"	16.019271
"487867"	928.303371	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M-2H+NH4"	16.019271
"864699"	320.113971	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-2H+NH4"	16.019271
"32479"	629.164066	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M-2H+Na"	20.974666
"476292"	933.258766	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M-2H+Na"	20.974666
"850812"	325.069366	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-2H+Na"	20.974666
"1620708"	325.069366	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Na-2H"	20.974666
"95415"	321.075763	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M-H+Cl"	33.962126
"538628"	473.123113	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M-H+Cl"	33.962126
"934333"	169.028413	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-H+Cl"	33.962126
"267906"	643.158802	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+Cl"	34.969402
"666407"	947.253502	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+Cl"	34.969402
"1274799"	339.064102	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Cl"	34.969402
"18084"	645.138006	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M-2H+K"	36.948606
"458374"	949.232706	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M-2H+K"	36.948606
"837999"	341.043306	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-2H+K"	36.948606
"1567689"	341.043306	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+K-2H"	36.948606
"953384"	349.092894	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-H+HCOOH"	44.998194
"371599"	653.187601	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+HCOOH-H"	44.998201
"352200"	667.203251	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+Hac-H"	59.013851
"1499938"	363.108551	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Hac-H"	59.013851
"968574"	371.074851	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-H+NaCOOH"	66.980151
"111287"	339.064102	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+2Cl"	69.938804
"552306"	491.111452	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+2Cl"	69.938804
"1029126"	187.016752	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2Cl"	69.938804
"1249797"	383.013585	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Br"	78.918885
"1314068"	385.069572	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Cl+HCOOH"	80.974872
"1323182"	407.051529	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Cl+NaCOOH"	102.956829
"916428"	417.080286	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M-H+CF3COOH"	112.985586
"1298602"	453.056964	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Cl+CF3COOH"	148.962264
"1373481"	269.082024	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H-2H2O"	-35.012676
"1386967"	287.092	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H-H2O"	-17.0027
"286653"	609.196676	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+H"	1.007276
"677249"	913.291376	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+H"	1.007276
"1355057"	305.101976	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H"	1.007276
"130133"	305.101976	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+2H"	2.014552
"566408"	457.149326	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+2H"	2.014552
"1037093"	153.054626	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2H"	2.014552
"215156"	203.737076	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+3H"	3.021828
"654715"	305.101976	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+3H"	3.021828
"1176123"	102.372176	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+3H"	3.021828
"437210"	626.223223	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+NH4"	18.033823
"800760"	930.317923	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+NH4"	18.033823
"1695632"	322.128523	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+NH4"	18.033823
"343546"	313.6152495	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+H+NH4"	19.041099
"733050"	465.6625995	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+H+NH4"	19.041099
"1484682"	161.5678995	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H+NH4"	19.041099
"403360"	631.178618	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+Na"	22.989218
"765448"	935.273318	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+Na"	22.989218
"1614643"	327.083918	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Na"	22.989218
"326874"	316.092947	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+H+Na"	23.996494
"719294"	468.140297	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+H+Na"	23.996494
"1470929"	164.045597	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H+Na"	23.996494
"1060894"	109.69949	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2H+Na"	25.00377
"1264759"	337.128186	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+CH3OH+H"	33.033486
"383333"	647.152558	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+K"	38.963158
"748703"	951.247258	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+K"	38.963158
"1551848"	343.057858	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+K"	38.963158
"311212"	324.079917	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+H+K"	39.970434
"701444"	476.127267	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+H+K"	39.970434
"1450888"	172.032567	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H+K"	39.970434
"240583"	650.223226	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+ACN+H"	42.033826
"1217666"	346.128526	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+ACN+H"	42.033826
"1198266"	173.567901	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+ACN+2H"	43.041102
"190772"	653.16056	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+2Na-H"	44.97116
"629847"	957.25526	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+2Na-H"	44.97116
"1139682"	349.06586	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2Na-H"	44.97116
"177506"	327.083918	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+2Na"	45.978436
"622170"	479.131268	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+2Na"	45.978436
"1121665"	175.036568	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2Na"	45.978436
"1400812"	117.026804	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H+2Na"	46.985712
"1429910"	351.107446	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H+HCOOH"	47.012746
"224814"	332.11694	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+3H2O+2H"	56.04448
"1510688"	365.15949	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+IsoProp+H"	61.06479
"418034"	335.070888	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+Na+K"	61.952376
"779029"	487.118238	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+Na+K"	61.952376
"1666407"	183.023538	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Na+K"	61.952376
"255318"	672.205168	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+ACN+Na"	64.015768
"1232399"	368.110468	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+ACN+Na"	64.015768
"1722379"	368.133993	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+NH4+HCOOH"	64.039293
"1191014"	124.354118	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+3Na"	68.967654
"1662005"	373.089388	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Na+HCOOH"	68.994688
"165587"	685.10844	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+2K-H"	76.91904
"609521"	989.20314	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+2K-H"	76.91904
"1097315"	381.01374	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2K-H"	76.91904
"150849"	343.057858	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"2M+2K"	77.926316
"588224"	495.105208	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"3M+2K"	77.926316
"1076017"	191.010508	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2K"	77.926316
"1104853"	383.028292	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2K+H"	78.933592
"1340143"	383.115907	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+DMSO+H"	79.021207
"1014141"	387.155076	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2ACN+H"	83.060376
"1528985"	388.148708	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+IsoProp+Na+H"	84.054008
"997626"	194.081176	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+2ACN+2H"	84.067652
"1587630"	389.063328	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+K+HCOOH"	84.968628
"1415597"	419.094838	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+H+CF3COOH"	115.000138
"1148801"	214.594451	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+3ACN+2H"	125.094202
"1698716"	436.121385	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+NH4+CF3COOH"	132.026685
"1638748"	441.07678	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+Na+CF3COOH"	136.98208
"1571356"	457.05072	"C18836"	"Griseophenone C"	"C16H16O6"	"304.0947"	"M+K+CF3COOH"	152.95602
"804766"	338.0557	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M"	0
"979391"	319.03731	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-H2O-H"	-19.01839
"72006"	224.363190666667	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M-3H"	-3.021828
"510473"	337.048424	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M-3H"	-3.021828
"888277"	111.677957333333	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-3H"	-3.021828
"13415"	337.048424	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M-2H"	-2.014552
"447508"	506.076274	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M-2H"	-2.014552
"819844"	168.020574	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-2H"	-2.014552
"82022"	675.104124	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M-H"	-1.007276
"519642"	1013.159824	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M-H"	-1.007276
"895857"	337.048424	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-H"	-1.007276
"47323"	692.130671	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M-2H+NH4"	16.019271
"487610"	1030.186371	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M-2H+NH4"	16.019271
"867845"	354.074971	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-2H+NH4"	16.019271
"34651"	697.086066	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M-2H+Na"	20.974666
"477492"	1035.141766	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M-2H+Na"	20.974666
"850071"	359.030366	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-2H+Na"	20.974666
"1621547"	359.030366	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Na-2H"	20.974666
"96983"	355.036763	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M-H+Cl"	33.962126
"535091"	524.064613	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M-H+Cl"	33.962126
"927873"	186.008913	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-H+Cl"	33.962126
"268982"	711.080802	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+Cl"	34.969402
"661033"	1049.136502	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+Cl"	34.969402
"1274053"	373.025102	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Cl"	34.969402
"18557"	713.060006	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M-2H+K"	36.948606
"461036"	1051.115706	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M-2H+K"	36.948606
"842119"	375.004306	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-2H+K"	36.948606
"1560143"	375.004306	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+K-2H"	36.948606
"950211"	383.053894	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-H+HCOOH"	44.998194
"369519"	721.109601	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+HCOOH-H"	44.998201
"356684"	735.125251	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+Hac-H"	59.013851
"1504058"	397.069551	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Hac-H"	59.013851
"970871"	405.035851	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-H+NaCOOH"	66.980151
"114315"	373.025102	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+2Cl"	69.938804
"560071"	542.052952	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+2Cl"	69.938804
"1032880"	203.997252	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2Cl"	69.938804
"1248812"	416.974585	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Br"	78.918885
"1314177"	419.030572	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Cl+HCOOH"	80.974872
"1326935"	441.012529	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Cl+NaCOOH"	102.956829
"918723"	451.041286	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M-H+CF3COOH"	112.985586
"1296523"	487.017964	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Cl+CF3COOH"	148.962264
"1368122"	303.043024	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H-2H2O"	-35.012676
"1383548"	321.053	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H-H2O"	-17.0027
"283107"	677.118676	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+H"	1.007276
"677106"	1015.174376	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+H"	1.007276
"1353337"	339.062976	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H"	1.007276
"126226"	339.062976	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+2H"	2.014552
"566634"	508.090826	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+2H"	2.014552
"1037547"	170.035126	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2H"	2.014552
"209791"	226.377742666667	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+3H"	3.021828
"648260"	339.062976	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+3H"	3.021828
"1169669"	113.692509333333	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+3H"	3.021828
"435132"	694.145223	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+NH4"	18.033823
"796125"	1032.200923	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+NH4"	18.033823
"1692455"	356.089523	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+NH4"	18.033823
"341827"	347.5762495	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+H+NH4"	19.041099
"732066"	516.6040995	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+H+NH4"	19.041099
"1486978"	178.5483995	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H+NH4"	19.041099
"403470"	699.100618	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+Na"	22.989218
"763371"	1037.156318	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+Na"	22.989218
"1613660"	361.044918	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Na"	22.989218
"324795"	350.053947	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+H+Na"	23.996494
"717215"	519.081797	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+H+Na"	23.996494
"1471036"	181.026097	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H+Na"	23.996494
"1058816"	121.019823333333	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2H+Na"	25.00377
"1262682"	371.089186	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+CH3OH+H"	33.033486
"387815"	715.074558	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+K"	38.963158
"750996"	1053.130258	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+K"	38.963158
"1550858"	377.018858	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+K"	38.963158
"311317"	358.040917	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+H+K"	39.970434
"702644"	527.068767	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+H+K"	39.970434
"1457557"	189.013067	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H+K"	39.970434
"246158"	718.145226	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+ACN+H"	42.033826
"1218867"	380.089526	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+ACN+H"	42.033826
"1202751"	190.548401	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+ACN+2H"	43.041102
"192705"	721.08256	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+2Na-H"	44.97116
"630197"	1059.13826	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+2Na-H"	44.97116
"1139792"	383.02686	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2Na-H"	44.97116
"179802"	361.044918	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+2Na"	45.978436
"622644"	530.072768	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+2Na"	45.978436
"1121774"	192.017068	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2Na"	45.978436
"1400071"	128.347137333333	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H+2Na"	46.985712
"1430604"	385.068446	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H+HCOOH"	47.012746
"221642"	366.07794	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+3H2O+2H"	56.04448
"1509705"	399.12049	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+IsoProp+H"	61.06479
"413770"	369.031888	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+Na+K"	61.952376
"772576"	538.059738	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+Na+K"	61.952376
"1666721"	200.004038	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Na+K"	61.952376
"256521"	740.127168	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+ACN+Na"	64.015768
"1231415"	402.071468	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+ACN+Na"	64.015768
"1717022"	402.094993	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+NH4+HCOOH"	64.039293
"1184562"	135.674451333333	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+3Na"	68.967654
"1659925"	407.050388	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Na+HCOOH"	68.994688
"164599"	753.03044	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+2K-H"	76.91904
"603067"	1091.08614	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+2K-H"	76.91904
"1093049"	414.97474	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2K-H"	76.91904
"148768"	377.018858	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"2M+2K"	77.926316
"590519"	546.046708	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"3M+2K"	77.926316
"1080496"	207.991008	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2K"	77.926316
"1109332"	416.989292	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2K+H"	78.933592
"1339159"	417.076907	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+DMSO+H"	79.021207
"1009875"	421.116076	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2ACN+H"	83.060376
"1533469"	422.109708	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+IsoProp+Na+H"	84.054008
"998829"	211.061676	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+2ACN+2H"	84.067652
"1588103"	423.024328	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+K+HCOOH"	84.968628
"1414612"	453.055838	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+H+CF3COOH"	115.000138
"1147817"	231.574951	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+3ACN+2H"	125.094202
"1698098"	470.082385	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+NH4+CF3COOH"	132.026685
"1636671"	475.03778	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+Na+CF3COOH"	136.98208
"1571344"	491.01172	"C18837"	"Griseophenone B"	"C16H15ClO6"	"338.0557"	"M+K+CF3COOH"	152.95602
"809251"	350.0557	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M"	0
"978408"	331.03731	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-H2O-H"	-19.01839
"72117"	232.363190666667	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M-3H"	-3.021828
"509491"	349.048424	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M-3H"	-3.021828
"889481"	115.677957333333	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-3H"	-3.021828
"10246"	349.048424	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M-2H"	-2.014552
"448713"	524.076274	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M-2H"	-2.014552
"822140"	174.020574	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-2H"	-2.014552
"88692"	699.104124	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M-H"	-1.007276
"519145"	1049.159824	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M-H"	-1.007276
"896088"	349.048424	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-H"	-1.007276
"47675"	716.130671	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M-2H+NH4"	16.019271
"489181"	1066.186371	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M-2H+NH4"	16.019271
"867955"	366.074971	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-2H+NH4"	16.019271
"33061"	721.086066	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M-2H+Na"	20.974666
"481977"	1071.141766	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M-2H+Na"	20.974666
"851153"	371.030366	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-2H+Na"	20.974666
"1619953"	371.030366	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Na-2H"	20.974666
"97093"	367.036763	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M-H+Cl"	33.962126
"535687"	542.064613	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M-H+Cl"	33.962126
"927740"	192.008913	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-H+Cl"	33.962126
"268605"	735.080802	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+Cl"	34.969402
"666618"	1085.136502	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+Cl"	34.969402
"1273916"	385.025102	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Cl"	34.969402
"20491"	737.060006	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M-2H+K"	36.948606
"460416"	1087.115706	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M-2H+K"	36.948606
"840042"	387.004306	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-2H+K"	36.948606
"1565721"	387.004306	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+K-2H"	36.948606
"951416"	395.053894	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-H+HCOOH"	44.998194
"369266"	745.109601	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+HCOOH-H"	44.998201
"355701"	759.125251	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+Hac-H"	59.013851
"1502711"	409.069551	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Hac-H"	59.013851
"969157"	417.035851	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-H+NaCOOH"	66.980151
"114426"	385.025102	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+2Cl"	69.938804
"562004"	560.052952	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+2Cl"	69.938804
"1034083"	209.997252	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2Cl"	69.938804
"1255120"	428.974585	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Br"	78.918885
"1309184"	431.030572	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Cl+HCOOH"	80.974872
"1327775"	453.012529	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Cl+NaCOOH"	102.956829
"915552"	463.041286	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M-H+CF3COOH"	112.985586
"1294811"	499.017964	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Cl+CF3COOH"	148.962264
"1373336"	315.043024	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H-2H2O"	-35.012676
"1385727"	333.053	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H-H2O"	-17.0027
"284197"	701.118676	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+H"	1.007276
"676857"	1051.174376	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+H"	1.007276
"1352110"	351.062976	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H"	1.007276
"126334"	351.062976	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+2H"	2.014552
"566502"	526.090826	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+2H"	2.014552
"1037368"	176.035126	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2H"	2.014552
"205886"	234.377742666667	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+3H"	3.021828
"653841"	351.062976	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+3H"	3.021828
"1168686"	117.692509333333	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+3H"	3.021828
"437063"	718.145223	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+NH4"	18.033823
"799516"	1068.200923	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+NH4"	18.033823
"1695852"	368.089523	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+NH4"	18.033823
"344125"	359.5762495	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+H+NH4"	19.041099
"732176"	534.6040995	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+H+NH4"	19.041099
"1488183"	184.5483995	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H+NH4"	19.041099
"400302"	723.100618	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+Na"	22.989218
"760203"	1073.156318	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+Na"	22.989218
"1614863"	373.044918	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Na"	22.989218
"322721"	362.053947	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+H+Na"	23.996494
"715141"	537.081797	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+H+Na"	23.996494
"1468960"	187.026097	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H+Na"	23.996494
"1058924"	125.019823333333	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2H+Na"	25.00377
"1261699"	383.089186	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+CH3OH+H"	33.033486
"387924"	739.074558	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+K"	38.963158
"748919"	1089.130258	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+K"	38.963158
"1549878"	389.018858	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+K"	38.963158
"310333"	370.040917	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+H+K"	39.970434
"700568"	545.068767	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+H+K"	39.970434
"1453297"	195.013067	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H+K"	39.970434
"241896"	742.145226	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+ACN+H"	42.033826
"1216791"	392.089526	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+ACN+H"	42.033826
"1201768"	196.548401	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+ACN+2H"	43.041102
"193546"	745.08256	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+2Na-H"	44.97116
"630066"	1095.13826	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+2Na-H"	44.97116
"1132720"	395.02686	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2Na-H"	44.97116
"174430"	373.044918	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+2Na"	45.978436
"617649"	548.072768	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+2Na"	45.978436
"1119696"	198.017068	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2Na"	45.978436
"1403219"	132.347137333333	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H+2Na"	46.985712
"1430471"	397.068446	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H+HCOOH"	47.012746
"221752"	378.07794	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+3H2O+2H"	56.04448
"1510908"	411.12049	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+IsoProp+H"	61.06479
"413880"	381.031888	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+Na+K"	61.952376
"774873"	556.059738	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+Na+K"	61.952376
"1669018"	206.004038	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Na+K"	61.952376
"253349"	764.127168	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+ACN+Na"	64.015768
"1231525"	414.071468	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+ACN+Na"	64.015768
"1717132"	414.094993	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+NH4+HCOOH"	64.039293
"1182485"	139.674451333333	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+3Na"	68.967654
"1660035"	419.050388	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Na+HCOOH"	68.994688
"166900"	777.03044	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+2K-H"	76.91904
"605363"	1127.08614	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+2K-H"	76.91904
"1090970"	426.97474	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2K-H"	76.91904
"149973"	389.018858	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"2M+2K"	77.926316
"590631"	564.046708	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"3M+2K"	77.926316
"1079515"	213.991008	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2K"	77.926316
"1108351"	428.989292	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2K+H"	78.933592
"1344736"	429.076907	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+DMSO+H"	79.021207
"1017640"	433.116076	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2ACN+H"	83.060376
"1535766"	434.109708	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+IsoProp+Na+H"	84.054008
"992378"	217.061676	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+2ACN+2H"	84.067652
"1588211"	435.024328	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+K+HCOOH"	84.968628
"1415209"	465.055838	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+H+CF3COOH"	115.000138
"1148291"	237.574951	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+3ACN+2H"	125.094202
"1697844"	482.082385	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+NH4+CF3COOH"	132.026685
"1636781"	487.03778	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+Na+CF3COOH"	136.98208
"1571823"	503.01172	"C18838"	"Dehydrogriseofulvin"	"C17H15ClO6"	"350.0557"	"M+K+CF3COOH"	152.95602
"809361"	1092.4414	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M"	0
"977425"	1073.42301	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-H2O-H"	-19.01839
"63479"	727.286990666667	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M-3H"	-3.021828
"505591"	1091.434124	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M-3H"	-3.021828
"885216"	363.139857333333	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-3H"	-3.021828
"9264"	1091.434124	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M-2H"	-2.014552
"452104"	1637.654824	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M-2H"	-2.014552
"825532"	545.213424	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-2H"	-2.014552
"89896"	2183.875524	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M-H"	-1.007276
"519009"	3276.316924	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M-H"	-1.007276
"895961"	1091.434124	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-H"	-1.007276
"48642"	2200.902071	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M-2H+NH4"	16.019271
"489173"	3293.343471	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M-2H+NH4"	16.019271
"866973"	1108.460671	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-2H+NH4"	16.019271
"35966"	2205.857466	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M-2H+Na"	20.974666
"486459"	3298.298866	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M-2H+Na"	20.974666
"860981"	1113.416066	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-2H+Na"	20.974666
"1621770"	1113.416066	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Na-2H"	20.974666
"97567"	1109.422463	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M-H+Cl"	33.962126
"535187"	1655.643163	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M-H+Cl"	33.962126
"927730"	563.201763	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-H+Cl"	33.962126
"269569"	2219.852202	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+Cl"	34.969402
"664541"	3312.293602	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+Cl"	34.969402
"1273663"	1127.410802	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Cl"	34.969402
"19507"	2221.831406	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M-2H+K"	36.948606
"459433"	3314.272806	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M-2H+K"	36.948606
"842339"	1129.390006	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-2H+K"	36.948606
"1569478"	1129.390006	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+K-2H"	36.948606
"953713"	1137.439594	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-H+HCOOH"	44.998194
"370470"	2229.881001	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+HCOOH-H"	44.998201
"354717"	2243.896651	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+Hac-H"	59.013851
"1502457"	1151.455251	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Hac-H"	59.013851
"968905"	1159.421551	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-H+NaCOOH"	66.980151
"120003"	1127.410802	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+2Cl"	69.938804
"562114"	1673.631502	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+2Cl"	69.938804
"1034193"	581.190102	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2Cl"	69.938804
"1255232"	1171.360285	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Br"	78.918885
"1314762"	1173.416272	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Cl+HCOOH"	80.974872
"1333719"	1195.398229	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Cl+NaCOOH"	102.956829
"923317"	1205.426986	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M-H+CF3COOH"	112.985586
"1301484"	1241.403664	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Cl+CF3COOH"	148.962264
"1374175"	1057.428724	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H-2H2O"	-35.012676
"1386201"	1075.4387	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H-H2O"	-17.0027
"285888"	2185.890076	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+H"	1.007276
"676483"	3278.331476	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+H"	1.007276
"1351859"	1093.448676	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H"	1.007276
"126325"	1093.448676	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+2H"	2.014552
"565882"	1639.669376	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+2H"	2.014552
"1037097"	547.227976	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2H"	2.014552
"206242"	729.301542666667	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+3H"	3.021828
"655045"	1093.448676	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+3H"	3.021828
"1168796"	365.154409333333	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+3H"	3.021828
"432069"	2202.916623	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+NH4"	18.033823
"799626"	3295.358023	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+NH4"	18.033823
"1695962"	1110.475223	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+NH4"	18.033823
"344235"	1101.9619495	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+H+NH4"	19.041099
"735203"	1648.1826495	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+H+NH4"	19.041099
"1488293"	555.7412495	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H+NH4"	19.041099
"401505"	2207.872018	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+Na"	22.989218
"761405"	3300.313418	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+Na"	22.989218
"1616069"	1115.430618	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Na"	22.989218
"326110"	1104.439647	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+H+Na"	23.996494
"717438"	1650.660347	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+H+Na"	23.996494
"1470164"	558.218947	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H+Na"	23.996494
"1057944"	372.481723333333	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2H+Na"	25.00377
"1267276"	1125.474886	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+CH3OH+H"	33.033486
"389129"	2223.845958	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+K"	38.963158
"751215"	3316.287358	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+K"	38.963158
"1554362"	1131.404558	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+K"	38.963158
"313851"	1112.426617	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+H+K"	39.970434
"703958"	1658.647317	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+H+K"	39.970434
"1453405"	566.205917	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H+K"	39.970434
"243101"	2226.916626	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+ACN+H"	42.033826
"1215808"	1134.475226	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+ACN+H"	42.033826
"1199693"	567.741251	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+ACN+2H"	43.041102
"189648"	2229.85396	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+2Na-H"	44.97116
"631029"	3322.29536	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+2Na-H"	44.97116
"1131343"	1137.41256	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2Na-H"	44.97116
"172934"	1115.430618	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+2Na"	45.978436
"613215"	1661.651318	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+2Na"	45.978436
"1119076"	569.209918	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2Na"	45.978436
"1399560"	379.809037333333	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H+2Na"	46.985712
"1430947"	1139.454146	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H+HCOOH"	47.012746
"224412"	1120.46364	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+3H2O+2H"	56.04448
"1512111"	1153.50619	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+IsoProp+H"	61.06479
"417270"	1123.417588	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+Na+K"	61.952376
"773890"	1669.638288	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+Na+K"	61.952376
"1671315"	577.196888	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Na+K"	61.952376
"256740"	2248.898568	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+ACN+Na"	64.015768
"1233821"	1156.457168	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+ACN+Na"	64.015768
"1719428"	1156.480693	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+NH4+HCOOH"	64.039293
"1184782"	387.136351333333	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+3Na"	68.967654
"1661238"	1161.436088	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Na+HCOOH"	68.994688
"169196"	2261.80184	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+2K-H"	76.91904
"604380"	3354.24324	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+2K-H"	76.91904
"1092173"	1169.36044	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2K-H"	76.91904
"151176"	1131.404558	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"2M+2K"	77.926316
"589647"	1677.625258	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"3M+2K"	77.926316
"1078532"	585.183858	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2K"	77.926316
"1107366"	1171.374992	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2K+H"	78.933592
"1342659"	1171.462607	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+DMSO+H"	79.021207
"1014470"	1175.501776	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2ACN+H"	83.060376
"1530409"	1176.495408	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+IsoProp+Na+H"	84.054008
"992488"	588.254526	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+2ACN+2H"	84.067652
"1588812"	1177.410028	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+K+HCOOH"	84.968628
"1415078"	1207.441538	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+H+CF3COOH"	115.000138
"1148403"	608.767801	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+3ACN+2H"	125.094202
"1697710"	1224.468085	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+NH4+CF3COOH"	132.026685
"1639078"	1229.42348	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+Na+CF3COOH"	136.98208
"1572542"	1245.39742	"C18839"	"Prechromomycin B"	"C53H72O24"	"1092.4414"	"M+K+CF3COOH"	152.95602
"802910"	298.0841	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M"	0
"974619"	279.06571	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-H2O-H"	-19.01839
"65776"	197.715457333333	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M-3H"	-3.021828
"504242"	297.076824	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M-3H"	-3.021828
"885326"	98.3540906666667	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-3H"	-3.021828
"7187"	297.076824	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M-2H"	-2.014552
"447839"	446.118874	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M-2H"	-2.014552
"819808"	148.034774	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-2H"	-2.014552
"85632"	595.160924	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M-H"	-1.007276
"519000"	893.245024	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M-H"	-1.007276
"896354"	297.076824	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-H"	-1.007276
"47900"	612.187471	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M-2H+NH4"	16.019271
"487458"	910.271571	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M-2H+NH4"	16.019271
"865258"	314.103371	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-2H+NH4"	16.019271
"31820"	617.142866	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M-2H+Na"	20.974666
"474542"	915.226966	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M-2H+Na"	20.974666
"848938"	319.058766	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-2H+Na"	20.974666
"1619325"	319.058766	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Na-2H"	20.974666
"95485"	315.065163	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M-H+Cl"	33.962126
"537242"	464.107213	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M-H+Cl"	33.962126
"927473"	166.023113	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-H+Cl"	33.962126
"268949"	631.137602	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+Cl"	34.969402
"661369"	929.221702	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+Cl"	34.969402
"1272929"	333.053502	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Cl"	34.969402
"18887"	633.116806	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M-2H+K"	36.948606
"456625"	931.200906	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M-2H+K"	36.948606
"834427"	335.032706	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-2H+K"	36.948606
"1567035"	335.032706	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+K-2H"	36.948606
"948355"	343.082294	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-H+HCOOH"	44.998194
"364382"	641.166401	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+HCOOH-H"	44.998201
"349357"	655.182051	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+Hac-H"	59.013851
"1495639"	357.097951	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Hac-H"	59.013851
"963545"	365.064251	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-H+NaCOOH"	66.980151
"119022"	333.053502	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+2Cl"	69.938804
"560765"	482.095552	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+2Cl"	69.938804
"1029564"	184.011452	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2Cl"	69.938804
"1250236"	377.002985	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Br"	78.918885
"1311592"	379.058972	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Cl+HCOOH"	80.974872
"1327996"	401.040929	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Cl+NaCOOH"	102.956829
"920147"	411.069686	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M-H+CF3COOH"	112.985586
"1297948"	447.046364	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Cl+CF3COOH"	148.962264
"1371369"	263.071424	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H-2H2O"	-35.012676
"1384487"	281.0814	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H-H2O"	-17.0027
"283811"	597.175476	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+H"	1.007276
"676225"	895.259576	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+H"	1.007276
"1352209"	299.091376	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H"	1.007276
"126070"	299.091376	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+2H"	2.014552
"566225"	448.133426	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+2H"	2.014552
"1038318"	150.049326	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2H"	2.014552
"207932"	199.730009333333	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+3H"	3.021828
"654059"	299.091376	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+3H"	3.021828
"1170000"	100.368642666667	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+3H"	3.021828
"433272"	614.202023	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+NH4"	18.033823
"795360"	912.286123	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+NH4"	18.033823
"1696436"	316.117923	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+NH4"	18.033823
"344711"	307.6046495	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+H+NH4"	19.041099
"730210"	456.6466995	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+H+NH4"	19.041099
"1487309"	158.5625995	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H+NH4"	19.041099
"402707"	619.157418	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+Na"	22.989218
"760421"	917.241518	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+Na"	22.989218
"1617640"	321.073318	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Na"	22.989218
"324035"	310.082347	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+H+Na"	23.996494
"718643"	459.124397	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+H+Na"	23.996494
"1471370"	161.040297	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H+Na"	23.996494
"1060242"	107.695956666667	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2H+Na"	25.00377
"1265199"	331.117586	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+CH3OH+H"	33.033486
"388145"	635.131358	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+K"	38.963158
"751325"	933.215458	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+K"	38.963158
"1554471"	337.047258	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+K"	38.963158
"311649"	318.069317	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+H+K"	39.970434
"705161"	467.111367	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+H+K"	39.970434
"1450234"	169.027267	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H+K"	39.970434
"244304"	638.202026	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+ACN+H"	42.033826
"1214825"	340.117926	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+ACN+H"	42.033826
"1199803"	170.562601	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+ACN+2H"	43.041102
"188663"	641.13936	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+2Na-H"	44.97116
"631137"	939.22346	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+2Na-H"	44.97116
"1131417"	343.05526	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2Na-H"	44.97116
"173194"	321.073318	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+2Na"	45.978436
"612885"	470.115368	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+2Na"	45.978436
"1119185"	172.031268	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2Na"	45.978436
"1399792"	115.023270666667	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H+2Na"	46.985712
"1430126"	345.096846	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H+HCOOH"	47.012746
"223063"	326.10634	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+3H2O+2H"	56.04448
"1511492"	359.14889	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+IsoProp+H"	61.06479
"414100"	329.060288	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+Na+K"	61.952376
"775094"	478.102338	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+Na+K"	61.952376
"1671425"	180.018238	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Na+K"	61.952376
"255757"	660.183968	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+ACN+Na"	64.015768
"1231745"	362.099868	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+ACN+Na"	64.015768
"1719538"	362.123393	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+NH4+HCOOH"	64.039293
"1184892"	122.350584666667	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+3Na"	68.967654
"1662441"	367.078788	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Na+HCOOH"	68.994688
"167119"	673.08724	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+2K-H"	76.91904
"604490"	971.17134	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+2K-H"	76.91904
"1092283"	375.00314	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2K-H"	76.91904
"151286"	337.047258	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"2M+2K"	77.926316
"587570"	486.089308	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"3M+2K"	77.926316
"1079735"	188.005208	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2K"	77.926316
"1107477"	377.017692	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2K+H"	78.933592
"1342769"	377.105307	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+DMSO+H"	79.021207
"1013487"	381.144476	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2ACN+H"	83.060376
"1530517"	382.138108	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+IsoProp+Na+H"	84.054008
"992598"	191.075876	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+2ACN+2H"	84.067652
"1588922"	383.052728	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+K+HCOOH"	84.968628
"1416041"	413.084238	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+H+CF3COOH"	115.000138
"1148148"	211.589151	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+3ACN+2H"	125.094202
"1699157"	430.110785	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+NH4+CF3COOH"	132.026685
"1638095"	435.06618	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+Na+CF3COOH"	136.98208
"1572652"	451.04012	"C18840"	"R1128A"	"C17H14O5"	"298.0841"	"M+K+CF3COOH"	152.95602
"801586"	312.0998	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M"	0
"974390"	293.08141	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-H2O-H"	-19.01839
"64792"	207.059257333333	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M-3H"	-3.021828
"504352"	311.092524	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M-3H"	-3.021828
"885436"	103.025990666667	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-3H"	-3.021828
"9479"	311.092524	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M-2H"	-2.014552
"447949"	467.142424	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M-2H"	-2.014552
"819190"	155.042624	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-2H"	-2.014552
"84649"	623.192324	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M-H"	-1.007276
"518610"	935.292124	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M-H"	-1.007276
"895697"	311.092524	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-H"	-1.007276
"47179"	640.218871	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M-2H+NH4"	16.019271
"487218"	952.318671	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M-2H+NH4"	16.019271
"864673"	328.119071	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-2H+NH4"	16.019271
"32776"	645.174266	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M-2H+Na"	20.974666
"476839"	957.274066	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M-2H+Na"	20.974666
"849173"	333.074466	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-2H+Na"	20.974666
"1628546"	333.074466	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Na-2H"	20.974666
"94904"	329.080863	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M-H+Cl"	33.962126
"536988"	485.130763	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M-H+Cl"	33.962126
"927160"	173.030963	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-H+Cl"	33.962126
"267155"	659.169002	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+Cl"	34.969402
"660299"	971.268802	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+Cl"	34.969402
"1272858"	347.069202	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Cl"	34.969402
"18997"	661.148206	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M-2H+K"	36.948606
"457828"	973.248006	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M-2H+K"	36.948606
"833152"	349.048406	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-2H+K"	36.948606
"1566052"	349.048406	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+K-2H"	36.948606
"947372"	357.097994	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-H+HCOOH"	44.998194
"364128"	669.197801	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+HCOOH-H"	44.998201
"349469"	683.213451	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+Hac-H"	59.013851
"1495384"	371.113651	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Hac-H"	59.013851
"964749"	379.079951	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-H+NaCOOH"	66.980151
"114757"	347.069202	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+2Cl"	69.938804
"558689"	503.119102	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+2Cl"	69.938804
"1031862"	191.019302	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2Cl"	69.938804
"1248159"	391.018685	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Br"	78.918885
"1313889"	393.074672	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Cl+HCOOH"	80.974872
"1331386"	415.056629	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Cl+NaCOOH"	102.956829
"920257"	425.085386	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M-H+CF3COOH"	112.985586
"1298058"	461.062064	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Cl+CF3COOH"	148.962264
"1371479"	277.087124	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H-2H2O"	-35.012676
"1384232"	295.0971	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H-H2O"	-17.0027
"284650"	625.206876	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+H"	1.007276
"676050"	937.306676	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+H"	1.007276
"1352195"	313.107076	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H"	1.007276
"126013"	313.107076	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+2H"	2.014552
"566219"	469.156976	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+2H"	2.014552
"1037575"	157.057176	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2H"	2.014552
"205477"	209.073809333333	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+3H"	3.021828
"653076"	313.107076	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+3H"	3.021828
"1171203"	105.040542666667	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+3H"	3.021828
"434475"	642.233423	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+NH4"	18.033823
"794377"	954.333223	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+NH4"	18.033823
"1695450"	330.133623	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+NH4"	18.033823
"344336"	321.6203495	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+H+NH4"	19.041099
"731413"	477.6702495	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+H+NH4"	19.041099
"1486326"	165.5704495	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H+NH4"	19.041099
"401724"	647.188818	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+Na"	22.989218
"758344"	959.288618	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+Na"	22.989218
"1614100"	335.089018	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Na"	22.989218
"323051"	324.098047	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+H+Na"	23.996494
"716566"	480.147947	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+H+Na"	23.996494
"1471481"	168.048147	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H+Na"	23.996494
"1059259"	112.367856666667	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2H+Na"	25.00377
"1267496"	345.133286	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+CH3OH+H"	33.033486
"387162"	663.162758	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+K"	38.963158
"744874"	975.262558	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+K"	38.963158
"1549114"	351.062958	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+K"	38.963158
"310666"	332.085017	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+H+K"	39.970434
"698711"	488.134917	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+H+K"	39.970434
"1450345"	176.035117	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H+K"	39.970434
"240041"	666.233426	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+ACN+H"	42.033826
"1210804"	354.133626	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+ACN+H"	42.033826
"1198820"	177.570451	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+ACN+2H"	43.041102
"189140"	669.17076	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+2Na-H"	44.97116
"629791"	981.27056	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+2Na-H"	44.97116
"1131879"	357.07096	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2Na-H"	44.97116
"173346"	335.089018	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+2Na"	45.978436
"613108"	491.138918	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+2Na"	45.978436
"1116086"	179.039118	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2Na"	45.978436
"1398840"	119.695170666667	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H+2Na"	46.985712
"1430106"	359.112546	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H+HCOOH"	47.012746
"223904"	340.12204	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+3H2O+2H"	56.04448
"1510873"	373.16459	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+IsoProp+H"	61.06479
"414210"	343.075988	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+Na+K"	61.952376
"775204"	499.125888	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+Na+K"	61.952376
"1672628"	187.026088	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Na+K"	61.952376
"255867"	688.215368	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+ACN+Na"	64.015768
"1229669"	376.115568	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+ACN+Na"	64.015768
"1716369"	376.139093	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+NH4+HCOOH"	64.039293
"1181722"	127.022484666667	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+3Na"	68.967654
"1660365"	381.094488	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Na+HCOOH"	68.994688
"168323"	701.11864	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+2K-H"	76.91904
"608973"	1013.21844	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+2K-H"	76.91904
"1094580"	389.01884	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2K-H"	76.91904
"150303"	351.062958	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"2M+2K"	77.926316
"589867"	507.112858	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"3M+2K"	77.926316
"1079846"	195.013058	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2K"	77.926316
"1111961"	391.033392	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2K+H"	78.933592
"1345065"	391.121007	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+DMSO+H"	79.021207
"1015783"	395.160176	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2ACN+H"	83.060376
"1533910"	396.153808	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+IsoProp+Na+H"	84.054008
"990885"	198.083726	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+2ACN+2H"	84.067652
"1588425"	397.068428	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+K+HCOOH"	84.968628
"1416151"	427.099938	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+H+CF3COOH"	115.000138
"1147649"	218.597001	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+3ACN+2H"	125.094202
"1698173"	444.126485	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+NH4+CF3COOH"	132.026685
"1638205"	449.08188	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+Na+CF3COOH"	136.98208
"1572762"	465.05582	"C18841"	"R1128B"	"C18H16O5"	"312.0998"	"M+K+CF3COOH"	152.95602
"802036"	326.1154	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M"	0
"976661"	307.09701	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-H2O-H"	-19.01839
"65266"	216.402990666667	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M-3H"	-3.021828
"506648"	325.108124	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M-3H"	-3.021828
"885546"	107.697857333333	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-3H"	-3.021828
"9589"	325.108124	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M-2H"	-2.014552
"448059"	488.165824	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M-2H"	-2.014552
"819664"	162.050424	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-2H"	-2.014552
"83665"	651.223524	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M-H"	-1.007276
"519464"	977.338924	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M-H"	-1.007276
"895964"	325.108124	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-H"	-1.007276
"49091"	668.250071	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M-2H+NH4"	16.019271
"487920"	994.365471	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M-2H+NH4"	16.019271
"865230"	342.134671	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-2H+NH4"	16.019271
"32524"	673.205466	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M-2H+Na"	20.974666
"480229"	999.320866	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M-2H+Na"	20.974666
"851470"	347.090066	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-2H+Na"	20.974666
"1628656"	347.090066	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Na-2H"	20.974666
"94853"	343.096463	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M-H+Cl"	33.962126
"538191"	506.154163	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M-H+Cl"	33.962126
"928057"	180.038763	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-H+Cl"	33.962126
"268439"	687.200202	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+Cl"	34.969402
"660979"	1013.315602	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+Cl"	34.969402
"1272876"	361.084802	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Cl"	34.969402
"18013"	689.179406	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M-2H+K"	36.948606
"459760"	1015.294806	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M-2H+K"	36.948606
"834646"	363.064006	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-2H+K"	36.948606
"1559600"	363.064006	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+K-2H"	36.948606
"947482"	371.113594	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-H+HCOOH"	44.998194
"363507"	697.229001	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+HCOOH-H"	44.998201
"348847"	711.244651	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+Hac-H"	59.013851
"1498045"	385.129251	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Hac-H"	59.013851
"961576"	393.095551	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-H+NaCOOH"	66.980151
"120336"	361.084802	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+2Cl"	69.938804
"556613"	524.142502	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+2Cl"	69.938804
"1031972"	198.027102	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2Cl"	69.938804
"1248269"	405.034285	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Br"	78.918885
"1313999"	407.090272	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Cl+HCOOH"	80.974872
"1332590"	429.072229	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Cl+NaCOOH"	102.956829
"922554"	439.100986	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M-H+CF3COOH"	112.985586
"1297075"	475.077664	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Cl+CF3COOH"	148.962264
"1375235"	291.102724	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H-2H2O"	-35.012676
"1386169"	309.1127	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H-H2O"	-17.0027
"285491"	653.238076	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+H"	1.007276
"677057"	979.353476	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+H"	1.007276
"1351345"	327.122676	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H"	1.007276
"125880"	327.122676	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+2H"	2.014552
"565719"	490.180376	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+2H"	2.014552
"1037252"	164.064976	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2H"	2.014552
"204533"	218.417542666667	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+3H"	3.021828
"653186"	327.122676	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+3H"	3.021828
"1175686"	109.712409333333	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+3H"	3.021828
"437865"	670.264623	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+NH4"	18.033823
"797767"	996.380023	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+NH4"	18.033823
"1696695"	344.149223	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+NH4"	18.033823
"345093"	335.6359495	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+H+NH4"	19.041099
"731523"	498.6936495	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+H+NH4"	19.041099
"1490445"	172.5782495	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H+NH4"	19.041099
"402927"	675.220018	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+Na"	22.989218
"768295"	1001.335418	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+Na"	22.989218
"1613117"	349.104618	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Na"	22.989218
"328384"	338.113647	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+H+Na"	23.996494
"715582"	501.171347	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+H+Na"	23.996494
"1469403"	175.055947	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H+Na"	23.996494
"1061555"	117.039723333333	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2H+Na"	25.00377
"1268700"	359.148886	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+CH3OH+H"	33.033486
"389458"	691.193958	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+K"	38.963158
"748264"	1017.309358	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+K"	38.963158
"1551411"	365.078558	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+K"	38.963158
"313773"	346.100617	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+H+K"	39.970434
"702102"	509.158317	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+H+K"	39.970434
"1448268"	183.042917	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H+K"	39.970434
"245618"	694.264626	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+ACN+H"	42.033826
"1211886"	368.149226	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+ACN+H"	42.033826
"1202210"	184.578251	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+ACN+2H"	43.041102
"190710"	697.20196	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+2Na-H"	44.97116
"630389"	1023.31736	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+2Na-H"	44.97116
"1132798"	371.08656	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2Na-H"	44.97116
"176337"	349.104618	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+2Na"	45.978436
"616625"	512.162318	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+2Na"	45.978436
"1116158"	186.046918	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2Na"	45.978436
"1399114"	124.367037333333	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H+2Na"	46.985712
"1431152"	373.128146	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H+HCOOH"	47.012746
"224743"	354.13764	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+3H2O+2H"	56.04448
"1513535"	387.18019	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+IsoProp+H"	61.06479
"417600"	357.091588	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+Na+K"	61.952376
"778594"	520.149288	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+Na+K"	61.952376
"1674925"	194.033888	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Na+K"	61.952376
"255977"	716.246568	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+ACN+Na"	64.015768
"1229779"	390.131168	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+ACN+Na"	64.015768
"1718665"	390.154693	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+NH4+HCOOH"	64.039293
"1182925"	131.694351333333	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+3Na"	68.967654
"1661568"	395.110088	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Na+HCOOH"	68.994688
"171472"	729.14984	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+2K-H"	76.91904
"610177"	1055.26524	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+2K-H"	76.91904
"1092502"	403.03444	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2K-H"	76.91904
"149319"	365.078558	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"2M+2K"	77.926316
"594229"	528.136258	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"3M+2K"	77.926316
"1082630"	202.020858	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2K"	77.926316
"1114624"	405.048992	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2K+H"	78.933592
"1348456"	405.136607	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+DMSO+H"	79.021207
"1016985"	409.175776	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2ACN+H"	83.060376
"1538394"	410.169408	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+IsoProp+Na+H"	84.054008
"991725"	205.091526	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+2ACN+2H"	84.067652
"1587356"	411.084028	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+K+HCOOH"	84.968628
"1415289"	441.115538	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+H+CF3COOH"	115.000138
"1148002"	225.604801	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+3ACN+2H"	125.094202
"1697091"	458.142085	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+NH4+CF3COOH"	132.026685
"1638315"	463.09748	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+Na+CF3COOH"	136.98208
"1572872"	479.07142	"C18842"	"R1128C"	"C19H18O5"	"326.1154"	"M+K+CF3COOH"	152.95602
"804333"	326.1154	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M"	0
"976770"	307.09701	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-H2O-H"	-19.01839
"64040"	216.402990666667	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M-3H"	-3.021828
"503479"	325.108124	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M-3H"	-3.021828
"885656"	107.697857333333	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-3H"	-3.021828
"9699"	325.108124	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M-2H"	-2.014552
"448169"	488.165824	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M-2H"	-2.014552
"819045"	162.050424	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-2H"	-2.014552
"83775"	651.223524	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M-H"	-1.007276
"528808"	977.338924	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M-H"	-1.007276
"897012"	325.108124	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-H"	-1.007276
"48225"	668.250071	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M-2H+NH4"	16.019271
"490705"	994.365471	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M-2H+NH4"	16.019271
"864491"	342.134671	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-2H+NH4"	16.019271
"32063"	673.205466	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M-2H+Na"	20.974666
"472075"	999.320866	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M-2H+Na"	20.974666
"851580"	347.090066	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-2H+Na"	20.974666
"1625486"	347.090066	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Na-2H"	20.974666
"95324"	343.096463	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M-H+Cl"	33.962126
"537209"	506.154163	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M-H+Cl"	33.962126
"928167"	180.038763	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-H+Cl"	33.962126
"267939"	687.200202	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+Cl"	34.969402
"660845"	1013.315602	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+Cl"	34.969402
"1273490"	361.084802	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Cl"	34.969402
"16904"	689.179406	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M-2H+K"	36.948606
"460963"	1015.294806	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M-2H+K"	36.948606
"838767"	363.064006	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-2H+K"	36.948606
"1559710"	363.064006	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+K-2H"	36.948606
"947592"	371.113594	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-H+HCOOH"	44.998194
"363984"	697.229001	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+HCOOH-H"	44.998201
"348957"	711.244651	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+Hac-H"	59.013851
"1495241"	385.129251	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Hac-H"	59.013851
"959130"	393.095551	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-H+NaCOOH"	66.980151
"123360"	361.084802	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+2Cl"	69.938804
"563284"	524.142502	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+2Cl"	69.938804
"1032082"	198.027102	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2Cl"	69.938804
"1248379"	405.034285	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Br"	78.918885
"1311920"	407.090272	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Cl+HCOOH"	80.974872
"1334886"	429.072229	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Cl+NaCOOH"	102.956829
"922664"	439.100986	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M-H+CF3COOH"	112.985586
"1294998"	475.077664	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Cl+CF3COOH"	148.962264
"1372065"	291.102724	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H-2H2O"	-35.012676
"1387373"	309.1127	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H-H2O"	-17.0027
"285601"	653.238076	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+H"	1.007276
"676032"	979.353476	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+H"	1.007276
"1351409"	327.122676	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H"	1.007276
"125761"	327.122676	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+2H"	2.014552
"565870"	490.180376	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+2H"	2.014552
"1037137"	164.064976	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2H"	2.014552
"204602"	218.417542666667	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+3H"	3.021828
"654389"	327.122676	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+3H"	3.021828
"1177376"	109.712409333333	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+3H"	3.021828
"437611"	670.264623	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+NH4"	18.033823
"799699"	996.380023	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+NH4"	18.033823
"1696157"	344.149223	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+NH4"	18.033823
"343948"	335.6359495	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+H+NH4"	19.041099
"734548"	498.6936495	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+H+NH4"	19.041099
"1489824"	172.5782495	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H+NH4"	19.041099
"406317"	675.220018	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+Na"	22.989218
"768405"	1001.335418	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+Na"	22.989218
"1614320"	349.104618	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Na"	22.989218
"329586"	338.113647	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+H+Na"	23.996494
"720066"	501.171347	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+H+Na"	23.996494
"1470606"	175.055947	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H+Na"	23.996494
"1064945"	117.039723333333	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2H+Na"	25.00377
"1268809"	359.148886	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+CH3OH+H"	33.033486
"389933"	691.193958	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+K"	38.963158
"749468"	1017.309358	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+K"	38.963158
"1549334"	365.078558	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+K"	38.963158
"313071"	346.100617	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+H+K"	39.970434
"698931"	509.158317	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+H+K"	39.970434
"1449471"	183.042917	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H+K"	39.970434
"245728"	694.264626	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+ACN+H"	42.033826
"1211996"	368.149226	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+ACN+H"	42.033826
"1196853"	184.578251	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+ACN+2H"	43.041102
"190210"	697.20196	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+2Na-H"	44.97116
"630012"	1023.31736	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+2Na-H"	44.97116
"1132301"	371.08656	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2Na-H"	44.97116
"174623"	349.104618	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+2Na"	45.978436
"613939"	512.162318	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+2Na"	45.978436
"1116470"	186.046918	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2Na"	45.978436
"1398779"	124.367037333333	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H+2Na"	46.985712
"1430896"	373.128146	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H+HCOOH"	47.012746
"220064"	354.13764	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+3H2O+2H"	56.04448
"1513645"	387.18019	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+IsoProp+H"	61.06479
"416617"	357.091588	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+Na+K"	61.952376
"778704"	520.149288	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+Na+K"	61.952376
"1673942"	194.033888	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Na+K"	61.952376
"256087"	716.246568	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+ACN+Na"	64.015768
"1233168"	390.131168	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+ACN+Na"	64.015768
"1719868"	390.154693	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+NH4+HCOOH"	64.039293
"1184128"	131.694351333333	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+3Na"	68.967654
"1663864"	395.110088	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Na+HCOOH"	68.994688
"170729"	729.14984	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+2K-H"	76.91904
"611380"	1055.26524	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+2K-H"	76.91904
"1093705"	403.03444	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2K-H"	76.91904
"148335"	365.078558	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"2M+2K"	77.926316
"594460"	528.136258	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"3M+2K"	77.926316
"1084075"	202.020858	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2K"	77.926316
"1113639"	405.048992	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2K+H"	78.933592
"1346380"	405.136607	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+DMSO+H"	79.021207
"1016001"	409.175776	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2ACN+H"	83.060376
"1533036"	410.169408	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+IsoProp+Na+H"	84.054008
"994021"	205.091526	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+2ACN+2H"	84.067652
"1587915"	411.084028	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+K+HCOOH"	84.968628
"1416371"	441.115538	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+H+CF3COOH"	115.000138
"1148113"	225.604801	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+3ACN+2H"	125.094202
"1697301"	458.142085	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+NH4+CF3COOH"	132.026685
"1639518"	463.09748	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+Na+CF3COOH"	136.98208
"1571481"	479.07142	"C18843"	"R1128D"	"C19H18O5"	"326.1154"	"M+K+CF3COOH"	152.95602
"801391"	898.5402	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M"	0
"975787"	879.52181	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-H2O-H"	-19.01839
"66216"	598.019524	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M-3H"	-3.021828
"502981"	897.532924	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M-3H"	-3.021828
"883579"	298.506124	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-3H"	-3.021828
"10904"	897.532924	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M-2H"	-2.014552
"447184"	1346.803024	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M-2H"	-2.014552
"820614"	448.262824	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-2H"	-2.014552
"83886"	1796.073124	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M-H"	-1.007276
"528918"	2694.613324	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M-H"	-1.007276
"896880"	897.532924	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-H"	-1.007276
"49066"	1813.099671	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M-2H+NH4"	16.019271
"489722"	2711.639871	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M-2H+NH4"	16.019271
"864236"	914.559471	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-2H+NH4"	16.019271
"31464"	1818.055066	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M-2H+Na"	20.974666
"473889"	2716.595266	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M-2H+Na"	20.974666
"851690"	919.514866	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-2H+Na"	20.974666
"1625597"	919.514866	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Na-2H"	20.974666
"94421"	915.521263	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M-H+Cl"	33.962126
"537319"	1364.791363	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M-H+Cl"	33.962126
"927178"	466.251163	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-H+Cl"	33.962126
"268171"	1832.049802	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+Cl"	34.969402
"662537"	2730.590002	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+Cl"	34.969402
"1274333"	933.509602	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Cl"	34.969402
"16284"	1834.029006	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M-2H+K"	36.948606
"459252"	2732.569206	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M-2H+K"	36.948606
"837421"	935.488806	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-2H+K"	36.948606
"1560913"	935.488806	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+K-2H"	36.948606
"947702"	943.538394	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-H+HCOOH"	44.998194
"364823"	1842.078601	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+HCOOH-H"	44.998201
"347247"	1856.094251	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+Hac-H"	59.013851
"1495716"	957.554051	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Hac-H"	59.013851
"959361"	965.520351	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-H+NaCOOH"	66.980151
"123835"	933.509602	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+2Cl"	69.938804
"562301"	1382.779702	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+2Cl"	69.938804
"1028913"	484.239502	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2Cl"	69.938804
"1248489"	977.459085	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Br"	78.918885
"1308750"	979.515072	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Cl+HCOOH"	80.974872
"1327341"	1001.497029	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Cl+NaCOOH"	102.956829
"921680"	1011.525786	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M-H+CF3COOH"	112.985586
"1294015"	1047.502464	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Cl+CF3COOH"	148.962264
"1369988"	863.527524	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H-2H2O"	-35.012676
"1386390"	881.5375	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H-H2O"	-17.0027
"285347"	1798.087676	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+H"	1.007276
"675811"	2696.627876	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+H"	1.007276
"1351549"	899.547476	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H"	1.007276
"125972"	899.547476	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+2H"	2.014552
"566231"	1348.817576	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+2H"	2.014552
"1037371"	450.277376	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2H"	2.014552
"204670"	600.034076	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+3H"	3.021828
"654499"	899.547476	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+3H"	3.021828
"1170437"	300.520676	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+3H"	3.021828
"438696"	1815.114223	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+NH4"	18.033823
"800912"	2713.654423	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+NH4"	18.033823
"1692860"	916.574023	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+NH4"	18.033823
"344059"	908.0607495	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+H+NH4"	19.041099
"736846"	1357.3308495	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+H+NH4"	19.041099
"1489571"	458.7906495	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H+NH4"	19.041099
"402054"	1820.069618	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+Na"	22.989218
"767422"	2718.609818	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+Na"	22.989218
"1608961"	921.529418	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Na"	22.989218
"328844"	910.538447	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+H+Na"	23.996494
"720177"	1359.808547	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+H+Na"	23.996494
"1470716"	461.268347	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H+Na"	23.996494
"1066514"	307.84799	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2H+Na"	25.00377
"1270741"	931.573686	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+CH3OH+H"	33.033486
"390043"	1836.043558	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+K"	38.963158
"746298"	2734.583758	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+K"	38.963158
"1548351"	937.503358	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+K"	38.963158
"310995"	918.525417	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+H+K"	39.970434
"699041"	1367.795517	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+H+K"	39.970434
"1450675"	469.255317	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H+K"	39.970434
"246931"	1839.114226	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+ACN+H"	42.033826
"1220736"	940.574026	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+ACN+H"	42.033826
"1198057"	470.790651	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+ACN+2H"	43.041102
"190320"	1842.05156	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+2Na-H"	44.97116
"629636"	2740.59176	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+2Na-H"	44.97116
"1133384"	943.51136	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2Na-H"	44.97116
"173230"	921.529418	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+2Na"	45.978436
"613200"	1370.799518	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+2Na"	45.978436
"1115891"	472.259318	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2Na"	45.978436
"1399011"	315.175304	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H+2Na"	46.985712
"1429989"	945.552946	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H+HCOOH"	47.012746
"220203"	926.56244	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+3H2O+2H"	56.04448
"1513026"	959.60499	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+IsoProp+H"	61.06479
"413447"	929.516388	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+Na+K"	61.952376
"777722"	1378.786488	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+Na+K"	61.952376
"1674052"	480.246288	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Na+K"	61.952376
"256197"	1861.096168	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+ACN+Na"	64.015768
"1231091"	962.555968	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+ACN+Na"	64.015768
"1717789"	962.579493	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+NH4+HCOOH"	64.039293
"1180958"	322.502618	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+3Na"	68.967654
"1663974"	967.534888	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Na+HCOOH"	68.994688
"169744"	1873.99944	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+2K-H"	76.91904
"608210"	2772.53964	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+2K-H"	76.91904
"1094908"	975.45924	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2K-H"	76.91904
"142978"	937.503358	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"2M+2K"	77.926316
"594570"	1386.773458	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"3M+2K"	77.926316
"1081268"	488.233258	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2K"	77.926316
"1110103"	977.473792	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2K+H"	78.933592
"1343211"	977.561407	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+DMSO+H"	79.021207
"1012834"	981.600576	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2ACN+H"	83.060376
"1532052"	982.594208	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+IsoProp+Na+H"	84.054008
"993038"	491.303926	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+2ACN+2H"	84.067652
"1587782"	983.508828	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+K+HCOOH"	84.968628
"1415019"	1013.540338	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+H+CF3COOH"	115.000138
"1147252"	511.817201	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+3ACN+2H"	125.094202
"1697411"	1030.566885	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+NH4+CF3COOH"	132.026685
"1639628"	1035.52228	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+Na+CF3COOH"	136.98208
"1571510"	1051.49622	"C18844"	"Spiramycin III"	"C46H78N2O15"	"898.5402"	"M+K+CF3COOH"	152.95602
"806742"	711.4194	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M"	0
"974806"	692.40101	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-H2O-H"	-19.01839
"69607"	473.272324	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M-3H"	-3.021828
"504794"	710.412124	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M-3H"	-3.021828
"890251"	236.132524	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-3H"	-3.021828
"8828"	710.412124	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M-2H"	-2.014552
"450575"	1066.121824	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M-2H"	-2.014552
"822911"	354.702424	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-2H"	-2.014552
"86186"	1421.831524	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M-H"	-1.007276
"519914"	2133.250924	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M-H"	-1.007276
"896015"	710.412124	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-H"	-1.007276
"47721"	1438.858071	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M-2H+NH4"	16.019271
"487520"	2150.277471	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M-2H+NH4"	16.019271
"864241"	727.438671	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-2H+NH4"	16.019271
"31525"	1443.813466	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M-2H+Na"	20.974666
"471392"	2155.232866	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M-2H+Na"	20.974666
"848551"	732.394066	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-2H+Na"	20.974666
"1618491"	732.394066	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Na-2H"	20.974666
"94353"	728.400463	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M-H+Cl"	33.962126
"535608"	1084.110163	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M-H+Cl"	33.962126
"928027"	372.690763	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-H+Cl"	33.962126
"269137"	1457.808202	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+Cl"	34.969402
"659969"	2169.227602	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+Cl"	34.969402
"1276513"	746.388802	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Cl"	34.969402
"17246"	1459.787406	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M-2H+K"	36.948606
"468482"	2171.206806	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M-2H+K"	36.948606
"847744"	748.368006	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-2H+K"	36.948606
"1569776"	748.368006	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+K-2H"	36.948606
"955471"	756.417594	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-H+HCOOH"	44.998194
"368219"	1467.837001	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+HCOOH-H"	44.998201
"355383"	1481.852651	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+Hac-H"	59.013851
"1505308"	770.433251	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Hac-H"	59.013851
"969569"	778.399551	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-H+NaCOOH"	66.980151
"124918"	746.388802	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+2Cl"	69.938804
"565209"	1102.098502	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+2Cl"	69.938804
"1032306"	390.679102	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2Cl"	69.938804
"1253707"	790.338285	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Br"	78.918885
"1308866"	792.394272	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Cl+HCOOH"	80.974872
"1322350"	814.376229	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Cl+NaCOOH"	102.956829
"914503"	824.404986	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M-H+CF3COOH"	112.985586
"1293034"	860.381664	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Cl+CF3COOH"	148.962264
"1369372"	676.406724	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H-2H2O"	-35.012676
"1383705"	694.4167	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H-H2O"	-17.0027
"284728"	1423.846076	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+H"	1.007276
"676418"	2135.265476	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+H"	1.007276
"1351706"	712.426676	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H"	1.007276
"126497"	712.426676	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+2H"	2.014552
"565811"	1068.136376	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+2H"	2.014552
"1042769"	356.716976	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2H"	2.014552
"218697"	475.286876	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+3H"	3.021828
"658624"	712.426676	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+3H"	3.021828
"1176507"	238.147076	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+3H"	3.021828
"438076"	1440.872623	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+NH4"	18.033823
"800169"	2152.292023	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+NH4"	18.033823
"1696503"	729.453223	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+NH4"	18.033823
"344661"	720.9399495	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+H+NH4"	19.041099
"734042"	1076.6496495	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+H+NH4"	19.041099
"1485673"	365.2302495	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H+NH4"	19.041099
"399979"	1445.828018	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+Na"	22.989218
"762068"	2157.247418	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+Na"	22.989218
"1609071"	734.408618	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Na"	22.989218
"324586"	723.417647	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+H+Na"	23.996494
"715912"	1079.127347	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+H+Na"	23.996494
"1473013"	367.707947	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H+Na"	23.996494
"1057509"	245.47439	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2H+Na"	25.00377
"1264654"	744.452886	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+CH3OH+H"	33.033486
"379949"	1461.801958	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+K"	38.963158
"746412"	2173.221358	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+K"	38.963158
"1548463"	750.382558	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+K"	38.963158
"310012"	731.404617	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+H+K"	39.970434
"698060"	1087.114317	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+H+K"	39.970434
"1454067"	375.694917	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H+K"	39.970434
"242667"	1464.872626	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+ACN+H"	42.033826
"1209910"	753.453226	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+ACN+H"	42.033826
"1194642"	377.230251	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+ACN+2H"	43.041102
"190678"	1467.80996	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+2Na-H"	44.97116
"628692"	2179.22936	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+2Na-H"	44.97116
"1132161"	756.39056	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2Na-H"	44.97116
"173304"	734.408618	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+2Na"	45.978436
"613103"	1090.118318	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+2Na"	45.978436
"1116046"	378.698918	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2Na"	45.978436
"1398759"	252.801704	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H+2Na"	46.985712
"1429894"	758.432146	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H+HCOOH"	47.012746
"220112"	739.44164	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+3H2O+2H"	56.04448
"1516060"	772.48419	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+IsoProp+H"	61.06479
"415745"	742.395588	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+Na+K"	61.952376
"776739"	1098.105288	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+Na+K"	61.952376
"1674162"	386.685888	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Na+K"	61.952376
"257400"	1486.854568	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+ACN+Na"	64.015768
"1232296"	775.435168	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+ACN+Na"	64.015768
"1718994"	775.458693	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+NH4+HCOOH"	64.039293
"1188725"	260.129018	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+3Na"	68.967654
"1665178"	780.414088	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Na+HCOOH"	68.994688
"164387"	1499.75784	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+2K-H"	76.91904
"607226"	2211.17724	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+2K-H"	76.91904
"1092832"	788.33844	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2K-H"	76.91904
"154026"	750.382558	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"2M+2K"	77.926316
"590310"	1106.092258	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"3M+2K"	77.926316
"1075914"	394.672858	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2K"	77.926316
"1110219"	790.352992	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2K+H"	78.933592
"1338948"	790.440607	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+DMSO+H"	79.021207
"1008574"	794.479776	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2ACN+H"	83.060376
"1526696"	795.473408	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+IsoProp+Na+H"	84.054008
"1000808"	397.743526	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+2ACN+2H"	84.067652
"1594215"	796.388028	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+K+HCOOH"	84.968628
"1420969"	826.419538	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+H+CF3COOH"	115.000138
"1155629"	418.256801	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+3ACN+2H"	125.094202
"1698616"	843.446085	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+NH4+CF3COOH"	132.026685
"1636458"	848.40148	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+Na+CF3COOH"	136.98208
"1571499"	864.37542	"C18845"	"Mycinamicin I"	"C37H61NO12"	"711.4194"	"M+K+CF3COOH"	152.95602
"801703"	695.4245	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M"	0
"974834"	676.40611	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-H2O-H"	-19.01839
"69720"	462.609057333333	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M-3H"	-3.021828
"510374"	694.417224	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M-3H"	-3.021828
"890364"	230.800890666667	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-3H"	-3.021828
"8939"	694.417224	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M-2H"	-2.014552
"450687"	1042.129474	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M-2H"	-2.014552
"823021"	346.704974	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-2H"	-2.014552
"85203"	1389.841724	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M-H"	-1.007276
"519416"	2085.266224	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M-H"	-1.007276
"898195"	694.417224	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-H"	-1.007276
"47951"	1406.868271	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M-2H+NH4"	16.019271
"488848"	2102.292771	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M-2H+NH4"	16.019271
"864703"	711.443771	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-2H+NH4"	16.019271
"32000"	1411.823666	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M-2H+Na"	20.974666
"471960"	2107.248166	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M-2H+Na"	20.974666
"848823"	716.399166	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-2H+Na"	20.974666
"1622536"	716.399166	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Na-2H"	20.974666
"94686"	712.405563	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M-H+Cl"	33.962126
"534989"	1060.117813	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M-H+Cl"	33.962126
"927408"	364.693313	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-H+Cl"	33.962126
"269246"	1425.818402	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+Cl"	34.969402
"659996"	2121.242902	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+Cl"	34.969402
"1275894"	730.393902	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Cl"	34.969402
"16380"	1427.797606	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M-2H+K"	36.948606
"467499"	2123.222106	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M-2H+K"	36.948606
"846396"	732.373106	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-2H+K"	36.948606
"1567701"	732.373106	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+K-2H"	36.948606
"952301"	740.422694	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-H+HCOOH"	44.998194
"371610"	1435.847201	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+HCOOH-H"	44.998201
"360557"	1449.862851	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+Hac-H"	59.013851
"1503232"	754.438351	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Hac-H"	59.013851
"970773"	762.404651	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-H+NaCOOH"	66.980151
"123934"	730.393902	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+2Cl"	69.938804
"560336"	1078.106152	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+2Cl"	69.938804
"1031323"	382.681652	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2Cl"	69.938804
"1249807"	774.343385	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Br"	78.918885
"1308976"	776.399372	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Cl+HCOOH"	80.974872
"1319921"	798.381329	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Cl+NaCOOH"	102.956829
"912061"	808.410086	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M-H+CF3COOH"	112.985586
"1290228"	844.386764	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Cl+CF3COOH"	148.962264
"1367068"	660.411824	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H-2H2O"	-35.012676
"1383085"	678.4218	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H-H2O"	-17.0027
"285204"	1391.856276	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+H"	1.007276
"676528"	2087.280776	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+H"	1.007276
"1352145"	696.431776	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H"	1.007276
"126487"	696.431776	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+2H"	2.014552
"566406"	1044.144026	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+2H"	2.014552
"1042879"	348.719526	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2H"	2.014552
"218440"	464.623609333333	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+3H"	3.021828
"658612"	696.431776	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+3H"	3.021828
"1177955"	232.815442666667	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+3H"	3.021828
"437943"	1408.882823	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+NH4"	18.033823
"800644"	2104.307323	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+NH4"	18.033823
"1696249"	713.458323	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+NH4"	18.033823
"345260"	704.9450495	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+H+NH4"	19.041099
"734153"	1052.6572995	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+H+NH4"	19.041099
"1488701"	357.2327995	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H+NH4"	19.041099
"401182"	1413.838218	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+Na"	22.989218
"764365"	2109.262718	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+Na"	22.989218
"1612462"	718.413718	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Na"	22.989218
"322509"	707.422747	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+H+Na"	23.996494
"717116"	1055.134997	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+H+Na"	23.996494
"1472029"	359.710497	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H+Na"	23.996494
"1056527"	240.142756666667	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2H+Na"	25.00377
"1262577"	728.457986	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+CH3OH+H"	33.033486
"380058"	1429.812158	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+K"	38.963158
"744335"	2125.236658	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+K"	38.963158
"1548572"	734.387658	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+K"	38.963158
"309028"	715.409717	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+H+K"	39.970434
"694890"	1063.121967	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+H+K"	39.970434
"1453084"	367.697467	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H+K"	39.970434
"244964"	1432.882826	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+ACN+H"	42.033826
"1210423"	737.458326	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+ACN+H"	42.033826
"1194235"	369.232801	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+ACN+2H"	43.041102
"189325"	1435.82016	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+2Na-H"	44.97116
"629128"	2131.24466	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+2Na-H"	44.97116
"1132758"	740.39566	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2Na-H"	44.97116
"174347"	718.413718	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+2Na"	45.978436
"613904"	1066.125968	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+2Na"	45.978436
"1118751"	370.701468	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2Na"	45.978436
"1399478"	247.470070666667	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H+2Na"	46.985712
"1430214"	742.437246	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H+HCOOH"	47.012746
"219996"	723.44674	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+3H2O+2H"	56.04448
"1516170"	756.48929	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+IsoProp+H"	61.06479
"415126"	726.400688	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+Na+K"	61.952376
"776848"	1074.112938	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+Na+K"	61.952376
"1674271"	378.688438	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Na+K"	61.952376
"257511"	1454.864768	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+ACN+Na"	64.015768
"1230219"	759.440268	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+ACN+Na"	64.015768
"1720199"	759.463793	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+NH4+HCOOH"	64.039293
"1192116"	254.797384666667	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+3Na"	68.967654
"1662009"	764.419188	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Na+HCOOH"	68.994688
"164498"	1467.76804	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+2K-H"	76.91904
"602963"	2163.19254	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+2K-H"	76.91904
"1095130"	772.34354	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2K-H"	76.91904
"148665"	734.387658	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"2M+2K"	77.926316
"591508"	1082.099908	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"3M+2K"	77.926316
"1083311"	386.675408	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2K"	77.926316
"1112510"	774.358092	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2K+H"	78.933592
"1346709"	774.445707	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+DMSO+H"	79.021207
"1018523"	778.484876	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2ACN+H"	83.060376
"1524492"	779.478508	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+IsoProp+Na+H"	84.054008
"1002012"	389.746076	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+2ACN+2H"	84.067652
"1596514"	780.393128	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+K+HCOOH"	84.968628
"1424361"	810.424638	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+H+CF3COOH"	115.000138
"1153553"	410.259351	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+3ACN+2H"	125.094202
"1698365"	827.451185	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+NH4+CF3COOH"	132.026685
"1636568"	832.40658	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+Na+CF3COOH"	136.98208
"1571365"	848.38052	"C18846"	"Mycinamicin IV"	"C37H61NO11"	"695.4245"	"M+K+CF3COOH"	152.95602
"810241"	711.4194	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M"	0
"983775"	692.40101	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-H2O-H"	-19.01839
"73111"	473.272324	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M-3H"	-3.021828
"515954"	710.412124	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M-3H"	-3.021828
"890478"	236.132524	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-3H"	-3.021828
"11237"	710.412124	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M-2H"	-2.014552
"449705"	1066.121824	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M-2H"	-2.014552
"823134"	354.702424	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-2H"	-2.014552
"89688"	1421.831524	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M-H"	-1.007276
"520501"	2133.250924	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M-H"	-1.007276
"898671"	710.412124	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-H"	-1.007276
"48060"	1438.858071	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M-2H+NH4"	16.019271
"487984"	2150.277471	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M-2H+NH4"	16.019271
"867125"	727.438671	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-2H+NH4"	16.019271
"32225"	1443.813466	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M-2H+Na"	20.974666
"472517"	2155.232866	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M-2H+Na"	20.974666
"852020"	732.394066	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-2H+Na"	20.974666
"1623741"	732.394066	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Na-2H"	20.974666
"94918"	728.400463	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M-H+Cl"	33.962126
"542026"	1084.110163	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M-H+Cl"	33.962126
"928980"	372.690763	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-H+Cl"	33.962126
"270817"	1457.808202	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+Cl"	34.969402
"660683"	2169.227602	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+Cl"	34.969402
"1276370"	746.388802	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Cl"	34.969402
"18561"	1459.787406	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M-2H+K"	36.948606
"467609"	2171.206806	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M-2H+K"	36.948606
"845414"	748.368006	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-2H+K"	36.948606
"1570609"	748.368006	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+K-2H"	36.948606
"956422"	756.417594	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-H+HCOOH"	44.998194
"375731"	1467.837001	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+HCOOH-H"	44.998201
"360594"	1481.852651	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+Hac-H"	59.013851
"1504436"	770.433251	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Hac-H"	59.013851
"967603"	778.399551	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-H+NaCOOH"	66.980151
"125267"	746.388802	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+2Cl"	69.938804
"564950"	1102.098502	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+2Cl"	69.938804
"1036624"	390.679102	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2Cl"	69.938804
"1255385"	790.338285	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Br"	78.918885
"1316740"	792.394272	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Cl+HCOOH"	80.974872
"1328769"	814.376229	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Cl+NaCOOH"	102.956829
"917639"	824.404986	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M-H+CF3COOH"	112.985586
"1291067"	860.381664	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Cl+CF3COOH"	148.962264
"1369229"	676.406724	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H-2H2O"	-35.012676
"1385630"	694.4167	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H-H2O"	-17.0027
"285315"	1423.846076	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+H"	1.007276
"678829"	2135.265476	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+H"	1.007276
"1353350"	712.426676	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H"	1.007276
"126112"	712.426676	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+2H"	2.014552
"565988"	1068.136376	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+2H"	2.014552
"1042989"	356.716976	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2H"	2.014552
"219038"	475.286876	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+3H"	3.021828
"658601"	712.426676	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+3H"	3.021828
"1177579"	238.147076	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+3H"	3.021828
"439760"	1440.872623	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+NH4"	18.033823
"801118"	2152.292023	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+NH4"	18.033823
"1696724"	729.453223	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+NH4"	18.033823
"345571"	720.9399495	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+H+NH4"	19.041099
"736820"	1076.6496495	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+H+NH4"	19.041099
"1491730"	365.2302495	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H+NH4"	19.041099
"401293"	1445.828018	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+Na"	22.989218
"763382"	2157.247418	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+Na"	22.989218
"1609295"	734.408618	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Na"	22.989218
"325173"	723.417647	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+H+Na"	23.996494
"717958"	1079.127347	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+H+Na"	23.996494
"1472873"	367.707947	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H+Na"	23.996494
"1063930"	245.47439	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2H+Na"	25.00377
"1271804"	744.452886	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+CH3OH+H"	33.033486
"388919"	1461.801958	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+K"	38.963158
"751006"	2173.221358	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+K"	38.963158
"1553056"	750.382558	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+K"	38.963158
"308044"	731.404617	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+H+K"	39.970434
"695003"	1087.114317	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+H+K"	39.970434
"1454288"	375.694917	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H+K"	39.970434
"248721"	1464.872626	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+ACN+H"	42.033826
"1210495"	753.453226	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+ACN+H"	42.033826
"1196934"	377.230251	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+ACN+2H"	43.041102
"188907"	1467.80996	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+2Na-H"	44.97116
"634104"	2179.22936	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+2Na-H"	44.97116
"1133236"	756.39056	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2Na-H"	44.97116
"174215"	734.408618	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+2Na"	45.978436
"613405"	1090.118318	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+2Na"	45.978436
"1116303"	378.698918	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2Na"	45.978436
"1399340"	252.801704	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H+2Na"	46.985712
"1431946"	758.432146	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H+HCOOH"	47.012746
"220418"	739.44164	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+3H2O+2H"	56.04448
"1510082"	772.48419	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+IsoProp+H"	61.06479
"413049"	742.395588	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+Na+K"	61.952376
"773678"	1098.105288	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+Na+K"	61.952376
"1670008"	386.685888	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Na+K"	61.952376
"254341"	1486.854568	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+ACN+Na"	64.015768
"1229236"	775.435168	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+ACN+Na"	64.015768
"1717028"	775.458693	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+NH4+HCOOH"	64.039293
"1188945"	260.129018	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+3Na"	68.967654
"1659933"	780.414088	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Na+HCOOH"	68.994688
"170075"	1499.75784	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+2K-H"	76.91904
"607447"	2211.17724	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+2K-H"	76.91904
"1091960"	788.33844	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2K-H"	76.91904
"146588"	750.382558	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"2M+2K"	77.926316
"591618"	1106.092258	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"3M+2K"	77.926316
"1078317"	394.672858	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2K"	77.926316
"1110432"	790.352992	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2K+H"	78.933592
"1343537"	790.440607	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+DMSO+H"	79.021207
"1017538"	794.479776	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2ACN+H"	83.060376
"1524972"	795.473408	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+IsoProp+Na+H"	84.054008
"1002122"	397.743526	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+2ACN+2H"	84.067652
"1597718"	796.388028	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+K+HCOOH"	84.968628
"1423377"	826.419538	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+H+CF3COOH"	115.000138
"1153663"	418.256801	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+3ACN+2H"	125.094202
"1698475"	843.446085	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+NH4+CF3COOH"	132.026685
"1636678"	848.40148	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+Na+CF3COOH"	136.98208
"1573422"	864.37542	"C18847"	"Mycinamicin V"	"C37H61NO12"	"711.4194"	"M+K+CF3COOH"	152.95602
"810351"	350.2093	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M"	0
"983885"	331.19091	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"72128"	232.465590666667	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"510594"	349.202024	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"891677"	115.729157333333	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"6971"	349.202024	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"446532"	524.306674	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"818379"	174.097374	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"82144"	699.411324	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"519760"	1049.620624	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"896468"	349.202024	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"49629"	716.437871	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"487725"	1066.647171	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"864674"	366.228571	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"31538"	721.393266	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"471812"	1071.602566	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"849212"	371.183966	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1619719"	371.183966	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"94953"	367.190363	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"534632"	542.295013	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"927501"	192.085713	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"270927"	735.388002	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"661155"	1085.597302	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1279032"	385.178702	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"19765"	737.367206	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"466625"	1087.576506	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"845160"	387.157906	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1570112"	387.157906	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"955439"	395.207494	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"372925"	745.416801	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"360457"	759.432451	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1501265"	409.223151	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"967713"	417.189451	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"125372"	385.178702	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"565421"	560.283352	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1035917"	210.074052	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1256225"	429.128185	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1309196"	431.184172	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1325598"	453.166129	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"914469"	463.194886	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1288620"	499.171564	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1367350"	315.196624	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1384277"	333.2066	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"288705"	701.425876	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"677112"	1051.635176	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1351874"	351.216576	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"126216"	351.216576	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"566015"	526.321226	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1043099"	176.111926	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"214284"	234.480142666667	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"657128"	351.216576	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1178342"	117.743709333333	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"439790"	718.452423	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"799160"	1068.661723	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1694760"	368.243123	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"340849"	359.7298495	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"737659"	534.8344995	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1490381"	184.6251995	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"398124"	723.407818	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"762398"	1073.617118	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1611588"	373.198518	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"327350"	362.207547	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"720619"	537.312197	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1474077"	187.102897	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1064403"	125.071023333333	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1271792"	383.242786	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"392431"	739.381758	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"750021"	1089.591058	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1554260"	389.172458	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"309248"	370.194517	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"703860"	545.299167	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1456586"	195.089867	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"248101"	742.452426	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1213524"	392.243126	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1197044"	196.625201	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"189911"	745.38976	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"635309"	1095.59906	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1132616"	395.18046	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"178093"	373.198518	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"613880"	548.303168	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1116413"	198.093868	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1399085"	132.398337333333	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1431326"	397.222046	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"220529"	378.23154	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1515296"	411.27409	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"412794"	381.185488	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"771601"	556.290138	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1666838"	206.080838	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"254451"	764.434368	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1230439"	414.225068	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1718231"	414.248593	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1190148"	139.725651333333	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1663322"	419.203988	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"171278"	777.33764	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"602090"	1127.54694	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1086603"	427.12834	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"147792"	389.172458	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"588447"	564.277108	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1076240"	214.067808	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1107262"	429.142892	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1343647"	429.230507	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1018377"	433.269676	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1525205"	434.263308	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"1002232"	217.138476	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1594548"	435.177928	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1426767"	465.209438	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1155960"	237.651751	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1698221"	482.235985	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1638975"	487.19138	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1573532"	503.16532	"C18848"	"Chalcolactone"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"810461"	421.0452	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M"	0
"976337"	402.02681	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-H2O-H"	-19.01839
"66771"	279.689524	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M-3H"	-3.021828
"505236"	420.037924	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M-3H"	-3.021828
"888507"	139.341124	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-3H"	-3.021828
"3801"	420.037924	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M-2H"	-2.014552
"446642"	630.560524	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M-2H"	-2.014552
"819341"	209.515324	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-2H"	-2.014552
"82254"	841.083124	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M-H"	-1.007276
"522544"	1262.128324	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M-H"	-1.007276
"895965"	420.037924	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-H"	-1.007276
"48031"	858.109671	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M-2H+NH4"	16.019271
"487591"	1279.154871	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M-2H+NH4"	16.019271
"864461"	437.064471	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-2H+NH4"	16.019271
"31960"	863.065066	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M-2H+Na"	20.974666
"471919"	1284.110266	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M-2H+Na"	20.974666
"848954"	442.019866	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-2H+Na"	20.974666
"1618854"	442.019866	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Na-2H"	20.974666
"95266"	438.026263	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M-H+Cl"	33.962126
"534581"	648.548863	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M-H+Cl"	33.962126
"927490"	227.503663	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-H+Cl"	33.962126
"271037"	877.059802	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+Cl"	34.969402
"660779"	1298.105002	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+Cl"	34.969402
"1278049"	456.014602	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Cl"	34.969402
"19511"	879.039006	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M-2H+K"	36.948606
"464542"	1300.084206	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M-2H+K"	36.948606
"846725"	457.993806	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-2H+K"	36.948606
"1570832"	457.993806	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+K-2H"	36.948606
"957735"	466.043394	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-H+HCOOH"	44.998194
"376315"	887.088601	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+HCOOH-H"	44.998201
"361342"	901.104251	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+Hac-H"	59.013851
"1506843"	480.059051	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Hac-H"	59.013851
"968916"	488.025351	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-H+NaCOOH"	66.980151
"125568"	456.014602	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+2Cl"	69.938804
"565641"	666.537202	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+2Cl"	69.938804
"1036518"	245.492002	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2Cl"	69.938804
"1256949"	499.964085	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Br"	78.918885
"1311493"	502.020072	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Cl+HCOOH"	80.974872
"1328988"	524.002029	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Cl+NaCOOH"	102.956829
"917859"	534.030786	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M-H+CF3COOH"	112.985586
"1289054"	570.007464	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Cl+CF3COOH"	148.962264
"1367625"	386.032524	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H-2H2O"	-35.012676
"1384386"	404.0425	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H-H2O"	-17.0027
"285534"	843.097676	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+H"	1.007276
"678680"	1264.142876	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+H"	1.007276
"1352473"	422.052476	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H"	1.007276
"125881"	422.052476	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+2H"	2.014552
"565814"	632.575076	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+2H"	2.014552
"1043209"	211.529876	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2H"	2.014552
"215487"	281.704076	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+3H"	3.021828
"659060"	422.052476	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+3H"	3.021828
"1178045"	141.355676	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+3H"	3.021828
"439374"	860.124223	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+NH4"	18.033823
"800364"	1281.169423	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+NH4"	18.033823
"1695963"	439.079023	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+NH4"	18.033823
"340959"	430.5657495	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+H+NH4"	19.041099
"738438"	641.0883495	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+H+NH4"	19.041099
"1490128"	220.0431495	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H+NH4"	19.041099
"398234"	865.079618	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+Na"	22.989218
"762508"	1286.124818	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+Na"	22.989218
"1608420"	444.034418	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Na"	22.989218
"328310"	433.043447	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+H+Na"	23.996494
"718909"	643.566047	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+H+Na"	23.996494
"1473458"	222.520847	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H+Na"	23.996494
"1067065"	148.68299	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2H+Na"	25.00377
"1270934"	454.078686	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+CH3OH+H"	33.033486
"391326"	881.053558	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+K"	38.963158
"749037"	1302.098758	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+K"	38.963158
"1551819"	460.008358	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+K"	38.963158
"311182"	441.030417	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+H+K"	39.970434
"700689"	651.553017	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+H+K"	39.970434
"1458520"	230.507817	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H+K"	39.970434
"247482"	884.124226	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+ACN+H"	42.033826
"1213633"	463.079026	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+ACN+H"	42.033826
"1194476"	232.043151	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+ACN+2H"	43.041102
"190871"	887.06156	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+2Na-H"	44.97116
"633232"	1308.10676	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+2Na-H"	44.97116
"1132604"	466.01636	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2Na-H"	44.97116
"177474"	444.034418	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+2Na"	45.978436
"614599"	654.557018	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+2Na"	45.978436
"1116645"	233.511818	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2Na"	45.978436
"1399684"	156.010304	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H+2Na"	46.985712
"1433624"	468.057946	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H+HCOOH"	47.012746
"220317"	449.06744	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+3H2O+2H"	56.04448
"1515406"	482.10999	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+IsoProp+H"	61.06479
"412905"	452.021388	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+Na+K"	61.952376
"770981"	662.543988	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+Na+K"	61.952376
"1672416"	241.498788	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Na+K"	61.952376
"256749"	906.106168	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+ACN+Na"	64.015768
"1228362"	485.060968	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+ACN+Na"	64.015768
"1715061"	485.084493	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+NH4+HCOOH"	64.039293
"1190258"	163.337618	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+3Na"	68.967654
"1663432"	490.039888	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Na+HCOOH"	68.994688
"167016"	919.00944	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+2K-H"	76.91904
"602201"	1340.05464	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+2K-H"	76.91904
"1089994"	497.96424	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2K-H"	76.91904
"150090"	460.008358	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"2M+2K"	77.926316
"589650"	670.530958	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"3M+2K"	77.926316
"1075257"	249.485758	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2K"	77.926316
"1107372"	499.978792	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2K+H"	78.933592
"1338410"	500.066407	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+DMSO+H"	79.021207
"1013382"	504.105576	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2ACN+H"	83.060376
"1524821"	505.099208	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+IsoProp+Na+H"	84.054008
"1005260"	252.556426	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+2ACN+2H"	84.067652
"1597938"	506.013828	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+K+HCOOH"	84.968628
"1426877"	536.045338	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+H+CF3COOH"	115.000138
"1156070"	273.069701	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+3ACN+2H"	125.094202
"1698331"	553.071885	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+NH4+CF3COOH"	132.026685
"1635805"	558.02728	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+Na+CF3COOH"	136.98208
"1572548"	574.00122	"C18849"	"Flumetralin"	"C16H12ClF4N3O4"	"421.0452"	"M+K+CF3COOH"	152.95602
"802915"	359.03	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M"	0
"975718"	340.01161	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-H2O-H"	-19.01839
"66881"	238.346057333333	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M-3H"	-3.021828
"507532"	358.022724	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M-3H"	-3.021828
"888617"	118.669390666667	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-3H"	-3.021828
"3911"	358.022724	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M-2H"	-2.014552
"446752"	537.537724	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M-2H"	-2.014552
"818356"	178.507724	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-2H"	-2.014552
"82728"	717.052724	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M-H"	-1.007276
"522652"	1076.082724	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M-H"	-1.007276
"895910"	358.022724	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-H"	-1.007276
"47164"	734.079271	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M-2H+NH4"	16.019271
"487211"	1093.109271	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M-2H+NH4"	16.019271
"864563"	375.049271	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-2H+NH4"	16.019271
"31736"	739.034666	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M-2H+Na"	20.974666
"471501"	1098.064666	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M-2H+Na"	20.974666
"848692"	380.004666	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-2H+Na"	20.974666
"1619330"	380.004666	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Na-2H"	20.974666
"94475"	376.011063	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M-H+Cl"	33.962126
"534612"	555.526063	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M-H+Cl"	33.962126
"927230"	196.496063	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-H+Cl"	33.962126
"272240"	753.029402	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+Cl"	34.969402
"661134"	1112.059402	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+Cl"	34.969402
"1276335"	393.999402	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Cl"	34.969402
"18890"	755.008606	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M-2H+K"	36.948606
"463559"	1114.038606	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M-2H+K"	36.948606
"848436"	395.978606	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-2H+K"	36.948606
"1571258"	395.978606	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+K-2H"	36.948606
"957725"	404.028194	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-H+HCOOH"	44.998194
"375697"	763.058201	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+HCOOH-H"	44.998201
"361219"	777.073851	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+Hac-H"	59.013851
"1508050"	418.043851	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Hac-H"	59.013851
"971941"	426.010151	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-H+NaCOOH"	66.980151
"125529"	393.999402	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+2Cl"	69.938804
"565659"	573.514402	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+2Cl"	69.938804
"1037026"	214.484402	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2Cl"	69.938804
"1256406"	437.948885	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Br"	78.918885
"1315978"	440.004872	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Cl+HCOOH"	80.974872
"1331288"	461.986829	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Cl+NaCOOH"	102.956829
"920156"	472.015586	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M-H+CF3COOH"	112.985586
"1289939"	507.992264	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Cl+CF3COOH"	148.962264
"1367612"	324.017324	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H-2H2O"	-35.012676
"1385956"	342.0273	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H-H2O"	-17.0027
"285643"	719.067276	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+H"	1.007276
"678059"	1078.097276	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+H"	1.007276
"1352583"	360.037276	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H"	1.007276
"125827"	360.037276	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+2H"	2.014552
"566359"	539.552276	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+2H"	2.014552
"1043319"	180.522276	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2H"	2.014552
"216688"	240.360609333333	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+3H"	3.021828
"659657"	360.037276	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+3H"	3.021828
"1178030"	120.683942666667	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+3H"	3.021828
"439234"	736.093823	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+NH4"	18.033823
"800963"	1095.123823	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+NH4"	18.033823
"1696925"	377.063823	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+NH4"	18.033823
"341069"	368.5505495	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+H+NH4"	19.041099
"737512"	548.0655495	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+H+NH4"	19.041099
"1488414"	189.0355495	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H+NH4"	19.041099
"395429"	741.049218	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+Na"	22.989218
"760432"	1100.079218	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+Na"	22.989218
"1608529"	382.019218	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Na"	22.989218
"325870"	371.028247	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+H+Na"	23.996494
"717563"	550.543247	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+H+Na"	23.996494
"1471746"	191.513247	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H+Na"	23.996494
"1063533"	128.011256666667	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2H+Na"	25.00377
"1271405"	392.063486	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+CH3OH+H"	33.033486
"391434"	757.023158	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+K"	38.963158
"748054"	1116.053158	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+K"	38.963158
"1549013"	397.993158	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+K"	38.963158
"311292"	379.015217	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+H+K"	39.970434
"700799"	558.530217	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+H+K"	39.970434
"1457536"	199.500217	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H+K"	39.970434
"246499"	760.093826	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+ACN+H"	42.033826
"1213743"	401.063826	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+ACN+H"	42.033826
"1195193"	201.035551	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+ACN+2H"	43.041102
"191224"	763.03116	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+2Na-H"	44.97116
"629692"	1122.06116	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+2Na-H"	44.97116
"1136111"	404.00116	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2Na-H"	44.97116
"174664"	382.019218	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+2Na"	45.978436
"613130"	561.534218	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+2Na"	45.978436
"1115986"	202.504218	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2Na"	45.978436
"1400158"	135.338570666667	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H+2Na"	46.985712
"1433733"	406.042746	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H+HCOOH"	47.012746
"224522"	387.05224	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+3H2O+2H"	56.04448
"1510038"	420.09479	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+IsoProp+H"	61.06479
"414108"	390.006188	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+Na+K"	61.952376
"772914"	569.521188	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+Na+K"	61.952376
"1672526"	210.491188	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Na+K"	61.952376
"257952"	782.075768	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+ACN+Na"	64.015768
"1227379"	423.045768	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+ACN+Na"	64.015768
"1713711"	423.069293	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+NH4+HCOOH"	64.039293
"1189275"	142.665884666667	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+3Na"	68.967654
"1656981"	428.024688	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Na+HCOOH"	68.994688
"168218"	794.97904	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+2K-H"	76.91904
"602311"	1154.00904	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+2K-H"	76.91904
"1085603"	435.94904	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2K-H"	76.91904
"146919"	397.993158	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"2M+2K"	77.926316
"589760"	577.508158	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"3M+2K"	77.926316
"1071719"	218.478158	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2K"	77.926316
"1105294"	437.963592	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2K+H"	78.933592
"1339127"	438.051207	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+DMSO+H"	79.021207
"1010209"	442.090376	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2ACN+H"	83.060376
"1524445"	443.084008	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+IsoProp+Na+H"	84.054008
"1005577"	221.548826	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+2ACN+2H"	84.067652
"1598048"	443.998628	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+K+HCOOH"	84.968628
"1425894"	474.030138	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+H+CF3COOH"	115.000138
"1156180"	242.062101	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+3ACN+2H"	125.094202
"1698805"	491.056685	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+NH4+CF3COOH"	132.026685
"1636279"	496.01208	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+Na+CF3COOH"	136.98208
"1571565"	511.98602	"C18850"	"Florasulam"	"C12H8F3N5O3S"	"359.03"	"M+K+CF3COOH"	152.95602
"801933"	418.0171	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M"	0
"975464"	398.99871	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-H2O-H"	-19.01839
"65162"	277.670790666667	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M-3H"	-3.021828
"503139"	417.009824	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M-3H"	-3.021828
"884349"	138.331757333333	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-3H"	-3.021828
"7299"	417.009824	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M-2H"	-2.014552
"445769"	626.018374	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M-2H"	-2.014552
"818100"	208.001274	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-2H"	-2.014552
"80282"	835.026924	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M-H"	-1.007276
"520940"	1253.044024	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M-H"	-1.007276
"896187"	417.009824	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-H"	-1.007276
"47194"	852.053471	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M-2H+NH4"	16.019271
"487811"	1270.070571	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M-2H+NH4"	16.019271
"864318"	434.036371	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-2H+NH4"	16.019271
"31498"	857.008866	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M-2H+Na"	20.974666
"471492"	1275.025966	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M-2H+Na"	20.974666
"848527"	438.991766	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-2H+Na"	20.974666
"1618669"	438.991766	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Na-2H"	20.974666
"94288"	434.998163	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M-H+Cl"	33.962126
"534345"	644.006713	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M-H+Cl"	33.962126
"927179"	225.989613	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-H+Cl"	33.962126
"268703"	871.003602	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+Cl"	34.969402
"660998"	1289.020702	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+Cl"	34.969402
"1273891"	452.986502	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Cl"	34.969402
"16813"	872.982806	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M-2H+K"	36.948606
"455789"	1290.999906	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M-2H+K"	36.948606
"833029"	454.965706	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-2H+K"	36.948606
"1555919"	454.965706	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+K-2H"	36.948606
"943357"	463.015294	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-H+HCOOH"	44.998194
"361944"	881.032401	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+HCOOH-H"	44.998201
"361397"	895.048051	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+Hac-H"	59.013851
"1506943"	477.030951	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Hac-H"	59.013851
"969135"	484.997251	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-H+NaCOOH"	66.980151
"124973"	452.986502	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+2Cl"	69.938804
"565386"	661.995052	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+2Cl"	69.938804
"1036901"	243.977952	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2Cl"	69.938804
"1256800"	496.935985	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Br"	78.918885
"1314995"	498.991972	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Cl+HCOOH"	80.974872
"1331398"	520.973929	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Cl+NaCOOH"	102.956829
"920266"	531.002686	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M-H+CF3COOH"	112.985586
"1290049"	566.979364	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Cl+CF3COOH"	148.962264
"1367600"	383.004424	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H-2H2O"	-35.012676
"1385337"	401.0144	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H-H2O"	-17.0027
"284660"	837.041476	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+H"	1.007276
"678169"	1255.058576	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+H"	1.007276
"1352207"	419.024376	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H"	1.007276
"125938"	419.024376	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+2H"	2.014552
"565898"	628.032926	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+2H"	2.014552
"1037136"	210.015826	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2H"	2.014552
"215705"	279.685342666667	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+3H"	3.021828
"657457"	419.024376	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+3H"	3.021828
"1174492"	140.346309333333	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+3H"	3.021828
"434483"	854.068023	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+NH4"	18.033823
"800341"	1272.085123	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+NH4"	18.033823
"1694724"	436.050923	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+NH4"	18.033823
"341179"	427.5376495	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+H+NH4"	19.041099
"734705"	636.5461995	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+H+NH4"	19.041099
"1480868"	218.5290995	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H+NH4"	19.041099
"396265"	859.023418	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+Na"	22.989218
"758353"	1277.040518	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+Na"	22.989218
"1605359"	441.006318	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Na"	22.989218
"323065"	430.015347	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+H+Na"	23.996494
"716215"	639.023897	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+H+Na"	23.996494
"1473678"	221.006797	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H+Na"	23.996494
"1062914"	147.673623333333	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2H+Na"	25.00377
"1270788"	451.050586	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+CH3OH+H"	33.033486
"390086"	874.997358	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+K"	38.963158
"747071"	1293.014458	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+K"	38.963158
"1549123"	456.980258	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+K"	38.963158
"312131"	438.002317	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+H+K"	39.970434
"693618"	647.010867	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+H+K"	39.970434
"1456550"	228.993767	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H+K"	39.970434
"238954"	878.068026	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+ACN+H"	42.033826
"1211056"	460.050926	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+ACN+H"	42.033826
"1195059"	230.529101	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+ACN+2H"	43.041102
"189266"	881.00536	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+2Na-H"	44.97116
"628668"	1299.02246	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+2Na-H"	44.97116
"1131562"	462.98826	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2Na-H"	44.97116
"173060"	441.006318	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+2Na"	45.978436
"613147"	650.014868	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+2Na"	45.978436
"1116165"	231.997768	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2Na"	45.978436
"1398635"	155.000937333333	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H+2Na"	46.985712
"1430232"	465.029846	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H+HCOOH"	47.012746
"220249"	446.03934	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+3H2O+2H"	56.04448
"1508630"	479.08189	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+IsoProp+H"	61.06479
"412031"	448.993288	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+Na+K"	61.952376
"770837"	658.001838	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+Na+K"	61.952376
"1666800"	239.984738	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Na+K"	61.952376
"253686"	900.049968	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+ACN+Na"	64.015768
"1226028"	482.032868	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+ACN+Na"	64.015768
"1713457"	482.056393	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+NH4+HCOOH"	64.039293
"1190478"	162.328251333333	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+3Na"	68.967654
"1657091"	487.011788	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Na+HCOOH"	68.994688
"165048"	912.95324	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+2K-H"	76.91904
"602421"	1330.97034	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+2K-H"	76.91904
"1085592"	494.93614	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2K-H"	76.91904
"148122"	456.980258	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"2M+2K"	77.926316
"589870"	665.988808	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"3M+2K"	77.926316
"1070737"	247.971708	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2K"	77.926316
"1106497"	496.950692	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2K+H"	78.933592
"1338509"	497.038307	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+DMSO+H"	79.021207
"1008132"	501.077476	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2ACN+H"	83.060376
"1524182"	502.071108	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+IsoProp+Na+H"	84.054008
"1005484"	251.042376	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+2ACN+2H"	84.067652
"1598158"	502.985728	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+K+HCOOH"	84.968628
"1426004"	533.017238	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+H+CF3COOH"	115.000138
"1157383"	271.555651	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+3ACN+2H"	125.094202
"1699279"	550.043785	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+NH4+CF3COOH"	132.026685
"1636389"	554.99918	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+Na+CF3COOH"	136.98208
"1572768"	570.97312	"C18851"	"Flucarbazone-sodium"	"C12H10F3N4O6SNa"	"418.0171"	"M+K+CF3COOH"	152.95602
"802771"	325.0445	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M"	0
"975938"	306.02611	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-H2O-H"	-19.01839
"65272"	215.689057333333	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M-3H"	-3.021828
"504830"	324.037224	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M-3H"	-3.021828
"884459"	107.340890666667	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-3H"	-3.021828
"11784"	324.037224	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M-2H"	-2.014552
"446972"	486.559474	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M-2H"	-2.014552
"818576"	161.514974	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-2H"	-2.014552
"80392"	649.081724	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M-H"	-1.007276
"520685"	974.126224	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M-H"	-1.007276
"896785"	324.037224	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-H"	-1.007276
"47430"	666.108271	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M-2H+NH4"	16.019271
"487471"	991.152771	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M-2H+NH4"	16.019271
"865608"	341.063771	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-2H+NH4"	16.019271
"31798"	671.063666	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M-2H+Na"	20.974666
"471684"	996.108166	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M-2H+Na"	20.974666
"849192"	346.019166	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-2H+Na"	20.974666
"1618981"	346.019166	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Na-2H"	20.974666
"94534"	342.025563	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M-H+Cl"	33.962126
"534534"	504.547813	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M-H+Cl"	33.962126
"927358"	179.503313	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-H+Cl"	33.962126
"269176"	685.058402	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+Cl"	34.969402
"662325"	1010.102902	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+Cl"	34.969402
"1273998"	360.013902	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Cl"	34.969402
"17651"	687.037606	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M-2H+K"	36.948606
"455881"	1012.082106	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M-2H+K"	36.948606
"833185"	361.993106	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-2H+K"	36.948606
"1556185"	361.993106	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+K-2H"	36.948606
"943831"	370.042694	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-H+HCOOH"	44.998194
"362050"	695.087201	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+HCOOH-H"	44.998201
"361023"	709.102851	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+Hac-H"	59.013851
"1507172"	384.058351	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Hac-H"	59.013851
"964871"	392.024651	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-H+NaCOOH"	66.980151
"124962"	360.013902	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+2Cl"	69.938804
"563915"	522.536152	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+2Cl"	69.938804
"1034172"	197.491652	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2Cl"	69.938804
"1256301"	403.963385	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Br"	78.918885
"1316197"	406.019372	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Cl+HCOOH"	80.974872
"1330413"	428.001329	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Cl+NaCOOH"	102.956829
"920376"	438.030086	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M-H+CF3COOH"	112.985586
"1290523"	474.006764	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Cl+CF3COOH"	148.962264
"1369650"	290.031824	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H-2H2O"	-35.012676
"1385446"	308.0418	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H-H2O"	-17.0027
"285863"	651.096276	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+H"	1.007276
"679372"	976.140776	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+H"	1.007276
"1353534"	326.051776	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H"	1.007276
"125818"	326.051776	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+2H"	2.014552
"565695"	488.574026	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+2H"	2.014552
"1039528"	163.529526	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2H"	2.014552
"210347"	217.703609333333	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+3H"	3.021828
"658659"	326.051776	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+3H"	3.021828
"1170228"	109.355442666667	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+3H"	3.021828
"435686"	668.122823	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+NH4"	18.033823
"800693"	993.167323	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+NH4"	18.033823
"1693011"	343.078323	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+NH4"	18.033823
"340195"	334.5650495	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+H+NH4"	19.041099
"735908"	497.0872995	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+H+NH4"	19.041099
"1484257"	172.0427995	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H+NH4"	19.041099
"396375"	673.078218	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+Na"	22.989218
"759553"	998.122718	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+Na"	22.989218
"1604738"	348.033718	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Na"	22.989218
"324264"	337.042747	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+H+Na"	23.996494
"716685"	499.564997	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+H+Na"	23.996494
"1472328"	174.520497	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H+Na"	23.996494
"1062656"	116.682756666667	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2H+Na"	25.00377
"1268707"	358.077986	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+CH3OH+H"	33.033486
"382905"	689.052158	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+K"	38.963158
"744994"	1014.096658	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+K"	38.963158
"1544858"	364.007658	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+K"	38.963158
"307501"	345.029717	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+H+K"	39.970434
"691617"	507.551967	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+H+K"	39.970434
"1453744"	182.507467	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H+K"	39.970434
"237971"	692.122826	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+ACN+H"	42.033826
"1211410"	367.078326	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+ACN+H"	42.033826
"1194558"	184.042801	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+ACN+2H"	43.041102
"188761"	695.06016	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+2Na-H"	44.97116
"629047"	1020.10466	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+2Na-H"	44.97116
"1132070"	370.01566	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2Na-H"	44.97116
"173654"	348.033718	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+2Na"	45.978436
"613626"	510.555968	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+2Na"	45.978436
"1115911"	185.511468	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2Na"	45.978436
"1398828"	124.010070666667	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H+2Na"	46.985712
"1430910"	372.057246	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H+HCOOH"	47.012746
"220605"	353.06674	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+3H2O+2H"	56.04448
"1508750"	386.10929	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+IsoProp+H"	61.06479
"414327"	356.020688	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+Na+K"	61.952376
"772404"	518.542938	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+Na+K"	61.952376
"1668004"	193.498438	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Na+K"	61.952376
"254160"	714.104768	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+ACN+Na"	64.015768
"1229782"	389.060268	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+ACN+Na"	64.015768
"1718669"	389.083793	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+NH4+HCOOH"	64.039293
"1185121"	131.337384666667	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+3Na"	68.967654
"1658294"	394.039188	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Na+HCOOH"	68.994688
"159691"	727.00804	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+2K-H"	76.91904
"601437"	1052.05254	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+2K-H"	76.91904
"1086310"	401.96354	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2K-H"	76.91904
"148233"	364.007658	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"2M+2K"	77.926316
"586699"	526.529908	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"3M+2K"	77.926316
"1071210"	201.485408	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2K"	77.926316
"1105515"	403.978092	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2K+H"	78.933592
"1341900"	404.065707	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+DMSO+H"	79.021207
"1009337"	408.104876	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2ACN+H"	83.060376
"1524335"	409.098508	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+IsoProp+Na+H"	84.054008
"1000485"	204.556076	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+2ACN+2H"	84.067652
"1592801"	410.013128	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+K+HCOOH"	84.968628
"1422834"	440.044638	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+H+CF3COOH"	115.000138
"1154213"	225.069351	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+3ACN+2H"	125.094202
"1699025"	457.071185	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+NH4+CF3COOH"	132.026685
"1635039"	462.02658	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+Na+CF3COOH"	136.98208
"1571785"	478.00052	"C18852"	"Flumetsulam"	"C12H9F2N5O2S"	"325.0445"	"M+K+CF3COOH"	152.95602
"802638"	232.0823	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M"	0
"981153"	213.06391	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-H2O-H"	-19.01839
"69393"	153.714257333333	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M-3H"	-3.021828
"512235"	231.075024	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M-3H"	-3.021828
"885662"	76.3534906666667	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-3H"	-3.021828
"11894"	231.075024	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M-2H"	-2.014552
"448177"	347.116174	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M-2H"	-2.014552
"819419"	115.033874	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-2H"	-2.014552
"82693"	463.157324	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M-H"	-1.007276
"519699"	695.239624	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M-H"	-1.007276
"901147"	231.075024	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-H"	-1.007276
"48963"	480.183871	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M-2H+NH4"	16.019271
"488524"	712.266171	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M-2H+NH4"	16.019271
"869606"	248.101571	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-2H+NH4"	16.019271
"36413"	485.139266	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M-2H+Na"	20.974666
"480347"	717.221566	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M-2H+Na"	20.974666
"851587"	253.056966	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-2H+Na"	20.974666
"1628774"	253.056966	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Na-2H"	20.974666
"98744"	249.063363	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M-H+Cl"	33.962126
"534895"	365.104513	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M-H+Cl"	33.962126
"927684"	133.022213	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-H+Cl"	33.962126
"268556"	499.134002	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+Cl"	34.969402
"662071"	731.216302	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+Cl"	34.969402
"1275567"	267.051702	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Cl"	34.969402
"17396"	501.113206	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M-2H+K"	36.948606
"458414"	733.195506	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M-2H+K"	36.948606
"835852"	269.030906	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-2H+K"	36.948606
"1556786"	269.030906	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+K-2H"	36.948606
"945034"	277.080494	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-H+HCOOH"	44.998194
"362158"	509.162801	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+HCOOH-H"	44.998201
"346278"	523.178451	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+Hac-H"	59.013851
"1505460"	291.096151	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Hac-H"	59.013851
"964981"	299.062451	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-H+NaCOOH"	66.980151
"125073"	267.051702	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+2Cl"	69.938804
"564268"	383.092852	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+2Cl"	69.938804
"1034648"	151.010552	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2Cl"	69.938804
"1255319"	311.001185	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Br"	78.918885
"1315942"	313.057172	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Cl+HCOOH"	80.974872
"1328336"	335.039129	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Cl+NaCOOH"	102.956829
"921579"	345.067886	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M-H+CF3COOH"	112.985586
"1293914"	381.044564	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Cl+CF3COOH"	148.962264
"1372435"	197.069624	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H-2H2O"	-35.012676
"1387379"	215.0796	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H-H2O"	-17.0027
"290347"	465.171876	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+H"	1.007276
"680580"	697.254176	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+H"	1.007276
"1352918"	233.089576	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H"	1.007276
"126288"	233.089576	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+2H"	2.014552
"565734"	349.130726	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+2H"	2.014552
"1040364"	117.048426	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2H"	2.014552
"211550"	155.728809333333	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+3H"	3.021828
"653300"	233.089576	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+3H"	3.021828
"1170338"	78.3680426666667	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+3H"	3.021828
"435797"	482.198423	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+NH4"	18.033823
"799710"	714.280723	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+NH4"	18.033823
"1696038"	250.116123	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+NH4"	18.033823
"341763"	241.6028495	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+H+NH4"	19.041099
"733832"	357.6439995	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+H+NH4"	19.041099
"1484367"	125.5616995	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H+NH4"	19.041099
"398672"	487.153818	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+Na"	22.989218
"759664"	719.236118	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+Na"	22.989218
"1608857"	255.071518	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Na"	22.989218
"325466"	244.080547	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+H+Na"	23.996494
"718981"	360.121697	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+H+Na"	23.996494
"1470981"	128.039397	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H+Na"	23.996494
"1063856"	85.6953566666667	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2H+Na"	25.00377
"1266628"	265.115786	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+CH3OH+H"	33.033486
"383015"	503.127758	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+K"	38.963158
"745101"	735.210058	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+K"	38.963158
"1548248"	271.045458	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+K"	38.963158
"306517"	252.067517	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+H+K"	39.970434
"698941"	368.108667	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+H+K"	39.970434
"1450574"	136.026367	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H+K"	39.970434
"240269"	506.198426	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+ACN+H"	42.033826
"1211152"	274.116126	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+ACN+H"	42.033826
"1195035"	137.561701	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+ACN+2H"	43.041102
"189241"	509.13576	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+2Na-H"	44.97116
"630018"	741.21806	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+2Na-H"	44.97116
"1131579"	277.05346	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2Na-H"	44.97116
"173281"	255.071518	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+2Na"	45.978436
"617468"	371.112668	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+2Na"	45.978436
"1116840"	139.030368	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2Na"	45.978436
"1399271"	93.0226706666667	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H+2Na"	46.985712
"1434429"	279.095046	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H+HCOOH"	47.012746
"225581"	260.10454	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+3H2O+2H"	56.04448
"1508780"	293.14709	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+IsoProp+H"	61.06479
"412251"	263.058488	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+Na+K"	61.952376
"772512"	379.099638	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+Na+K"	61.952376
"1668114"	147.017338	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Na+K"	61.952376
"254999"	528.180368	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+ACN+Na"	64.015768
"1230985"	296.098068	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+ACN+Na"	64.015768
"1716589"	296.121593	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+NH4+HCOOH"	64.039293
"1185231"	100.349984666667	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+3Na"	68.967654
"1654032"	301.076988	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Na+HCOOH"	68.994688
"166363"	541.08364	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+2K-H"	76.91904
"608474"	773.16594	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+2K-H"	76.91904
"1095903"	309.00134	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2K-H"	76.91904
"154903"	271.045458	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"2M+2K"	77.926316
"592277"	387.086608	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"3M+2K"	77.926316
"1071324"	155.004308	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2K"	77.926316
"1105626"	311.015892	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2K+H"	78.933592
"1345290"	311.103507	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+DMSO+H"	79.021207
"1013822"	315.142676	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2ACN+H"	83.060376
"1531948"	316.136308	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+IsoProp+Na+H"	84.054008
"989994"	158.074976	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+2ACN+2H"	84.067652
"1587307"	317.050928	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+K+HCOOH"	84.968628
"1419663"	347.082438	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+H+CF3COOH"	115.000138
"1151043"	178.588251	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+3ACN+2H"	125.094202
"1699500"	364.108985	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+NH4+CF3COOH"	132.026685
"1635149"	369.06438	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+Na+CF3COOH"	136.98208
"1572256"	385.03832	"C18853"	"Fluometuron"	"C10H11F3N2O"	"232.0823"	"M+K+CF3COOH"	152.95602
"802626"	145.9991	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M"	0
"977252"	126.98071	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-H2O-H"	-19.01839
"66223"	96.3254573333333	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M-3H"	-3.021828
"504690"	144.991824	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M-3H"	-3.021828
"884679"	47.6590906666667	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-3H"	-3.021828
"14191"	144.991824	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M-2H"	-2.014552
"450473"	217.991374	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M-2H"	-2.014552
"824996"	71.992274	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-2H"	-2.014552
"82071"	290.990924	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M-H"	-1.007276
"518955"	436.990024	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M-H"	-1.007276
"898341"	144.991824	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-H"	-1.007276
"49073"	308.017471	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M-2H+NH4"	16.019271
"488023"	454.016571	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M-2H+NH4"	16.019271
"868623"	162.018371	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-2H+NH4"	16.019271
"36523"	312.972866	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M-2H+Na"	20.974666
"483737"	458.971966	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M-2H+Na"	20.974666
"852791"	166.973766	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-2H+Na"	20.974666
"1628884"	166.973766	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Na-2H"	20.974666
"98854"	162.980163	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M-H+Cl"	33.962126
"535248"	235.979713	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M-H+Cl"	33.962126
"928159"	89.980613	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-H+Cl"	33.962126
"269395"	326.967602	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+Cl"	34.969402
"662545"	472.966702	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+Cl"	34.969402
"1275312"	180.968502	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Cl"	34.969402
"17142"	328.946806	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M-2H+K"	36.948606
"457796"	474.945906	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M-2H+K"	36.948606
"834263"	182.947706	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-2H+K"	36.948606
"1557260"	182.947706	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+K-2H"	36.948606
"944415"	190.997294	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-H+HCOOH"	44.998194
"361661"	336.996401	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+HCOOH-H"	44.998201
"346513"	351.012051	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+Hac-H"	59.013851
"1505204"	205.012951	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Hac-H"	59.013851
"965091"	212.979251	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-H+NaCOOH"	66.980151
"123112"	180.968502	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+2Cl"	69.938804
"563767"	253.968052	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+2Cl"	69.938804
"1035849"	107.968952	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2Cl"	69.938804
"1255912"	224.917985	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Br"	78.918885
"1310949"	226.973972	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Cl+HCOOH"	80.974872
"1330630"	248.955929	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Cl+NaCOOH"	102.956829
"923511"	258.984686	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M-H+CF3COOH"	112.985586
"1294024"	294.961364	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Cl+CF3COOH"	148.962264
"1369268"	110.986424	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H-2H2O"	-35.012676
"1383520"	128.9964	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H-H2O"	-17.0027
"283650"	293.005476	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+H"	1.007276
"676680"	439.004576	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+H"	1.007276
"1351569"	147.006376	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H"	1.007276
"125822"	147.006376	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+2H"	2.014552
"565740"	220.005926	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+2H"	2.014552
"1040474"	74.006826	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2H"	2.014552
"208378"	98.3400093333333	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+3H"	3.021828
"652317"	147.006376	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+3H"	3.021828
"1177498"	49.6736426666667	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+3H"	3.021828
"436272"	310.032023	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+NH4"	18.033823
"800184"	456.031123	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+NH4"	18.033823
"1695055"	164.032923	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+NH4"	18.033823
"342237"	155.5196495	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+H+NH4"	19.041099
"738274"	228.5191995	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+H+NH4"	19.041099
"1484477"	82.5200995	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H+NH4"	19.041099
"397689"	314.987418	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+Na"	22.989218
"758681"	460.986518	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+Na"	22.989218
"1605686"	168.988318	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Na"	22.989218
"327763"	157.997347	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+H+Na"	23.996494
"719090"	230.996897	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+H+Na"	23.996494
"1471819"	84.997797	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H+Na"	23.996494
"1062873"	57.0009566666667	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2H+Na"	25.00377
"1266738"	179.032586	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+CH3OH+H"	33.033486
"382032"	330.961358	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+K"	38.963158
"747397"	476.960458	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+K"	38.963158
"1548358"	184.962258	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+K"	38.963158
"306626"	165.984317	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+H+K"	39.970434
"701237"	238.983867	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+H+K"	39.970434
"1450684"	92.984767	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H+K"	39.970434
"240379"	334.032026	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+ACN+H"	42.033826
"1212358"	188.032926	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+ACN+H"	42.033826
"1194783"	94.520101	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+ACN+2H"	43.041102
"189068"	336.96936	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+2Na-H"	44.97116
"629761"	482.96846	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+2Na-H"	44.97116
"1132661"	190.97026	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2Na-H"	44.97116
"172917"	168.988318	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+2Na"	45.978436
"616850"	241.987868	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+2Na"	45.978436
"1115979"	95.988768	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2Na"	45.978436
"1399871"	64.3282706666667	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H+2Na"	46.985712
"1435998"	193.011846	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H+HCOOH"	47.012746
"226055"	174.02134	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+3H2O+2H"	56.04448
"1508527"	207.06389	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+IsoProp+H"	61.06479
"417827"	176.975288	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+Na+K"	61.952376
"771529"	249.974838	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+Na+K"	61.952376
"1666399"	103.975738	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Na+K"	61.952376
"254012"	356.013968	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+ACN+Na"	64.015768
"1227452"	210.014868	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+ACN+Na"	64.015768
"1715606"	210.038393	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+NH4+HCOOH"	64.039293
"1184612"	71.6555846666667	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+3Na"	68.967654
"1657421"	214.993788	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Na+HCOOH"	68.994688
"161370"	368.91724	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+2K-H"	76.91904
"606031"	514.91634	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+2K-H"	76.91904
"1097103"	222.91814	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2K-H"	76.91904
"151733"	184.962258	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"2M+2K"	77.926316
"589107"	257.961808	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"3M+2K"	77.926316
"1071798"	111.962708	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2K"	77.926316
"1105736"	224.932692	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2K+H"	78.933592
"1345400"	225.020307	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+DMSO+H"	79.021207
"1013932"	229.059476	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2ACN+H"	83.060376
"1530965"	230.053108	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+IsoProp+Na+H"	84.054008
"990005"	115.033376	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+2ACN+2H"	84.067652
"1587295"	230.967728	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+K+HCOOH"	84.968628
"1419773"	260.999238	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+H+CF3COOH"	115.000138
"1151153"	135.546651	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+3ACN+2H"	125.094202
"1698150"	278.025785	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+NH4+CF3COOH"	132.026685
"1635259"	282.98118	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+Na+CF3COOH"	136.98208
"1572733"	298.95512	"C18854"	"Flupropanate"	"C3H2F4O2"	"145.9991"	"M+K+CF3COOH"	152.95602
"804560"	488.0464	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M"	0
"976998"	469.02801	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-H2O-H"	-19.01839
"65240"	324.356990666667	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M-3H"	-3.021828
"504071"	487.039124	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M-3H"	-3.021828
"883696"	161.674857333333	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-3H"	-3.021828
"12115"	487.039124	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M-2H"	-2.014552
"449490"	731.062324	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M-2H"	-2.014552
"825107"	243.015924	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-2H"	-2.014552
"81453"	975.085524	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M-H"	-1.007276
"519556"	1463.131924	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M-H"	-1.007276
"901367"	487.039124	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-H"	-1.007276
"50276"	992.112071	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M-2H+NH4"	16.019271
"488742"	1480.158471	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M-2H+NH4"	16.019271
"868732"	504.065671	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-2H+NH4"	16.019271
"35539"	997.067466	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M-2H+Na"	20.974666
"483484"	1485.113866	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M-2H+Na"	20.974666
"855088"	509.021066	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-2H+Na"	20.974666
"1628994"	509.021066	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Na-2H"	20.974666
"96048"	505.027463	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M-H+Cl"	33.962126
"535244"	749.050663	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M-H+Cl"	33.962126
"930218"	261.004263	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-H+Cl"	33.962126
"269505"	1011.062202	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+Cl"	34.969402
"663019"	1499.108602	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+Cl"	34.969402
"1275786"	523.015802	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Cl"	34.969402
"16888"	1013.041406	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M-2H+K"	36.948606
"456449"	1501.087806	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M-2H+K"	36.948606
"834616"	524.995006	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-2H+K"	36.948606
"1557005"	524.995006	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+K-2H"	36.948606
"943432"	533.044594	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-H+HCOOH"	44.998194
"361848"	1021.091001	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+HCOOH-H"	44.998201
"346990"	1035.106651	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+Hac-H"	59.013851
"1505315"	547.060251	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Hac-H"	59.013851
"968481"	555.026551	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-H+NaCOOH"	66.980151
"123586"	523.015802	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+2Cl"	69.938804
"564484"	767.039002	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+2Cl"	69.938804
"1034499"	278.992602	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2Cl"	69.938804
"1256752"	566.965285	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Br"	78.918885
"1316525"	569.021272	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Cl+HCOOH"	80.974872
"1332563"	591.003229	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Cl+NaCOOH"	102.956829
"921798"	601.031986	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M-H+CF3COOH"	112.985586
"1295228"	637.008664	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Cl+CF3COOH"	148.962264
"1370107"	453.033724	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H-2H2O"	-35.012676
"1383591"	471.0437	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H-H2O"	-17.0027
"283028"	977.100076	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+H"	1.007276
"676425"	1465.146476	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+H"	1.007276
"1352772"	489.053676	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H"	1.007276
"126057"	489.053676	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+2H"	2.014552
"566187"	733.076876	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+2H"	2.014552
"1037668"	245.030476	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2H"	2.014552
"209580"	326.371542666667	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+3H"	3.021828
"652427"	489.053676	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+3H"	3.021828
"1172744"	163.689409333333	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+3H"	3.021828
"432736"	994.126623	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+NH4"	18.033823
"799563"	1482.173023	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+NH4"	18.033823
"1695287"	506.080223	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+NH4"	18.033823
"341983"	497.5669495	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+H+NH4"	19.041099
"736959"	741.5901495	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+H+NH4"	19.041099
"1483494"	253.5437495	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H+NH4"	19.041099
"397799"	999.082018	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+Na"	22.989218
"755512"	1487.128418	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+Na"	22.989218
"1603974"	511.035618	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Na"	22.989218
"327872"	500.044647	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+H+Na"	23.996494
"719199"	744.067847	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+H+Na"	23.996494
"1471926"	256.021447	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H+Na"	23.996494
"1060795"	171.016723333333	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2H+Na"	25.00377
"1266848"	521.079886	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+CH3OH+H"	33.033486
"384327"	1015.055958	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+K"	38.963158
"745321"	1503.102358	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+K"	38.963158
"1548468"	527.009558	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+K"	38.963158
"307829"	508.031617	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+H+K"	39.970434
"701347"	752.054817	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+H+K"	39.970434
"1447148"	264.008417	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H+K"	39.970434
"238666"	1018.126626	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+ACN+H"	42.033826
"1214292"	530.080226	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+ACN+H"	42.033826
"1195258"	265.543751	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+ACN+2H"	43.041102
"189222"	1021.06396	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+2Na-H"	44.97116
"632791"	1509.11036	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+2Na-H"	44.97116
"1133382"	533.01756	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2Na-H"	44.97116
"180680"	511.035618	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+2Na"	45.978436
"615138"	755.058818	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+2Na"	45.978436
"1117547"	267.012418	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2Na"	45.978436
"1399737"	178.344037333333	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H+2Na"	46.985712
"1434285"	535.059146	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H+HCOOH"	47.012746
"224708"	516.06864	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+3H2O+2H"	56.04448
"1508916"	549.11119	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+IsoProp+H"	61.06479
"416844"	519.022588	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+Na+K"	61.952376
"772004"	763.045788	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+Na+K"	61.952376
"1666874"	274.999388	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Na+K"	61.952376
"254124"	1040.108568	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+ACN+Na"	64.015768
"1232301"	552.062168	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+ACN+Na"	64.015768
"1715716"	552.085693	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+NH4+HCOOH"	64.039293
"1185085"	185.671351333333	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+3Na"	68.967654
"1659718"	557.041088	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Na+HCOOH"	68.994688
"161110"	1053.01184	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+2K-H"	76.91904
"606871"	1541.05824	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+2K-H"	76.91904
"1093934"	564.96544	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2K-H"	76.91904
"151843"	527.009558	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"2M+2K"	77.926316
"589216"	771.032758	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"3M+2K"	77.926316
"1071544"	282.986358	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2K"	77.926316
"1105846"	566.979992	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2K+H"	78.933592
"1347697"	567.067607	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+DMSO+H"	79.021207
"1009667"	571.106776	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2ACN+H"	83.060376
"1532168"	572.100408	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+IsoProp+Na+H"	84.054008
"990006"	286.057026	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+2ACN+2H"	84.067652
"1587080"	573.015028	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+K+HCOOH"	84.968628
"1420976"	603.046538	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+H+CF3COOH"	115.000138
"1151263"	306.570301	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+3ACN+2H"	125.094202
"1698625"	620.073085	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+NH4+CF3COOH"	132.026685
"1635734"	625.02848	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+Na+CF3COOH"	136.98208
"1571750"	641.00242	"C18855"	"Flupyrsulfuron-methyl sodium"	"C15H14F3N5O7SNa"	"488.0464"	"M+K+CF3COOH"	152.95602
"802118"	226.063	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M"	0
"977108"	207.04461	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-H2O-H"	-19.01839
"67537"	149.701390666667	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M-3H"	-3.021828
"503817"	225.055724	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M-3H"	-3.021828
"883806"	74.3470573333333	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-3H"	-3.021828
"11132"	225.055724	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M-2H"	-2.014552
"450694"	338.087224	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M-2H"	-2.014552
"825217"	112.024224	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-2H"	-2.014552
"82656"	451.118724	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M-H"	-1.007276
"522582"	677.181724	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M-H"	-1.007276
"900748"	225.055724	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-H"	-1.007276
"54760"	468.145271	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M-2H+NH4"	16.019271
"492135"	694.208271	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M-2H+NH4"	16.019271
"872123"	242.082271	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-2H+NH4"	16.019271
"37838"	473.100666	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M-2H+Na"	20.974666
"484930"	699.163666	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M-2H+Na"	20.974666
"861758"	247.037666	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-2H+Na"	20.974666
"1622544"	247.037666	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Na-2H"	20.974666
"95791"	243.044063	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M-H+Cl"	33.962126
"537177"	356.075563	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M-H+Cl"	33.962126
"928263"	130.012563	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-H+Cl"	33.962126
"268034"	487.095402	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+Cl"	34.969402
"662765"	713.158402	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+Cl"	34.969402
"1276260"	261.032402	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Cl"	34.969402
"16755"	489.074606	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M-2H+K"	36.948606
"455785"	715.137606	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M-2H+K"	36.948606
"832983"	263.011606	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-2H+K"	36.948606
"1557117"	263.011606	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+K-2H"	36.948606
"943660"	271.061194	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-H+HCOOH"	44.998194
"362606"	497.124201	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+HCOOH-H"	44.998201
"346123"	511.139851	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+Hac-H"	59.013851
"1505425"	285.076851	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Hac-H"	59.013851
"968591"	293.043151	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-H+NaCOOH"	66.980151
"123696"	261.032402	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+2Cl"	69.938804
"564351"	374.063902	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+2Cl"	69.938804
"1035828"	148.000902	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2Cl"	69.938804
"1256009"	304.981885	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Br"	78.918885
"1317729"	307.037872	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Cl+HCOOH"	80.974872
"1329757"	329.019829	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Cl+NaCOOH"	102.956829
"921908"	339.048586	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M-H+CF3COOH"	112.985586
"1296431"	375.025264	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Cl+CF3COOH"	148.962264
"1367462"	191.050324	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H-2H2O"	-35.012676
"1382888"	209.0603	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H-H2O"	-17.0027
"283057"	453.133276	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+H"	1.007276
"676535"	679.196276	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+H"	1.007276
"1351664"	227.070276	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H"	1.007276
"125886"	227.070276	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+2H"	2.014552
"566054"	340.101776	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+2H"	2.014552
"1037896"	114.038776	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2H"	2.014552
"208961"	151.715942666667	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+3H"	3.021828
"652538"	227.070276	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+3H"	3.021828
"1175041"	76.3616093333333	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+3H"	3.021828
"432846"	470.159823	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+NH4"	18.033823
"794934"	696.222823	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+NH4"	18.033823
"1695154"	244.096823	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+NH4"	18.033823
"341363"	235.5835495	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+H+NH4"	19.041099
"736701"	348.6150495	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+H+NH4"	19.041099
"1479592"	122.5520495	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H+NH4"	19.041099
"395352"	475.115218	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+Na"	22.989218
"756714"	701.178218	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+Na"	22.989218
"1605537"	249.052218	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Na"	22.989218
"323605"	238.061247	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+H+Na"	23.996494
"718214"	351.092747	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+H+Na"	23.996494
"1469850"	125.029747	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H+Na"	23.996494
"1061999"	83.6889233333333	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2H+Na"	25.00377
"1266958"	259.096486	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+CH3OH+H"	33.033486
"382249"	491.089158	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+K"	38.963158
"743246"	717.152158	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+K"	38.963158
"1546392"	265.026158	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+K"	38.963158
"304660"	246.048217	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+H+K"	39.970434
"704737"	359.079717	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+H+K"	39.970434
"1454184"	133.016717	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H+K"	39.970434
"243879"	494.159826	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+ACN+H"	42.033826
"1214766"	268.096826	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+ACN+H"	42.033826
"1196097"	134.552051	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+ACN+2H"	43.041102
"188722"	497.09716	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+2Na-H"	44.97116
"634724"	723.16016	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+2Na-H"	44.97116
"1136772"	271.03416	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2Na-H"	44.97116
"178603"	249.052218	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+2Na"	45.978436
"617071"	362.083718	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+2Na"	45.978436
"1117294"	136.020718	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2Na"	45.978436
"1400091"	91.0162373333333	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H+2Na"	46.985712
"1434029"	273.075746	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H+HCOOH"	47.012746
"225182"	254.08524	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+3H2O+2H"	56.04448
"1508603"	287.12779	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+IsoProp+H"	61.06479
"415131"	257.039188	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+Na+K"	61.952376
"770291"	370.070688	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+Na+K"	61.952376
"1666984"	144.007688	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Na+K"	61.952376
"252775"	516.141768	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+ACN+Na"	64.015768
"1232411"	290.078768	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+ACN+Na"	64.015768
"1715461"	290.102293	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+NH4+HCOOH"	64.039293
"1188111"	98.3435513333333	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+3Na"	68.967654
"1657276"	295.057688	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Na+HCOOH"	68.994688
"163043"	529.04504	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+2K-H"	76.91904
"602241"	755.10804	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+2K-H"	76.91904
"1090034"	302.98204	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2K-H"	76.91904
"147580"	265.026158	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"2M+2K"	77.926316
"582399"	378.057658	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"3M+2K"	77.926316
"1069101"	151.994658	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2K"	77.926316
"1102675"	304.996592	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2K+H"	78.933592
"1339060"	305.084207	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+DMSO+H"	79.021207
"1005929"	309.123376	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2ACN+H"	83.060376
"1528998"	310.117008	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+IsoProp+Na+H"	84.054008
"990248"	155.065326	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+2ACN+2H"	84.067652
"1587186"	311.031628	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+K+HCOOH"	84.968628
"1421086"	341.063138	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+H+CF3COOH"	115.000138
"1151373"	175.578601	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+3ACN+2H"	125.094202
"1698371"	358.089685	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+NH4+CF3COOH"	132.026685
"1635480"	363.04508	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+Na+CF3COOH"	136.98208
"1572953"	379.01902	"C18856"	"Flurecol"	"C14H10O3"	"226.063"	"M+K+CF3COOH"	152.95602
"808060"	329.1027	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M"	0
"977218"	310.08431	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-H2O-H"	-19.01839
"66553"	218.394524	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M-3H"	-3.021828
"504291"	328.095424	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M-3H"	-3.021828
"883916"	108.693624	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-3H"	-3.021828
"14521"	328.095424	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M-2H"	-2.014552
"451897"	492.646774	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M-2H"	-2.014552
"828606"	163.544074	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-2H"	-2.014552
"84224"	657.198124	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M-H"	-1.007276
"525976"	986.300824	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M-H"	-1.007276
"902682"	328.095424	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-H"	-1.007276
"55964"	674.224671	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M-2H+NH4"	16.019271
"495526"	1003.327371	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M-2H+NH4"	16.019271
"872235"	345.121971	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-2H+NH4"	16.019271
"42322"	679.180066	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M-2H+Na"	20.974666
"484067"	1008.282766	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M-2H+Na"	20.974666
"860775"	350.077366	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-2H+Na"	20.974666
"1622654"	350.077366	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Na-2H"	20.974666
"95901"	346.083763	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M-H+Cl"	33.962126
"543121"	510.635113	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M-H+Cl"	33.962126
"937730"	181.532413	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-H+Cl"	33.962126
"270820"	693.174802	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+Cl"	34.969402
"665430"	1022.277502	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+Cl"	34.969402
"1273946"	364.072102	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Cl"	34.969402
"17840"	695.154006	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M-2H+K"	36.948606
"458131"	1024.256706	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M-2H+K"	36.948606
"835568"	366.051306	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-2H+K"	36.948606
"1556502"	366.051306	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+K-2H"	36.948606
"945474"	374.100894	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-H+HCOOH"	44.998194
"361625"	703.203601	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+HCOOH-H"	44.998201
"347945"	717.219251	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+Hac-H"	59.013851
"1506264"	388.116551	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Hac-H"	59.013851
"970887"	396.082851	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-H+NaCOOH"	66.980151
"124535"	364.072102	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+2Cl"	69.938804
"564463"	528.623452	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+2Cl"	69.938804
"1035815"	199.520752	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2Cl"	69.938804
"1255391"	408.021585	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Br"	78.918885
"1316747"	410.077572	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Cl+HCOOH"	80.974872
"1326587"	432.059529	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Cl+NaCOOH"	102.956829
"915457"	442.088286	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M-H+CF3COOH"	112.985586
"1296541"	478.064964	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Cl+CF3COOH"	148.962264
"1370327"	294.090024	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H-2H2O"	-35.012676
"1382920"	312.1	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H-H2O"	-17.0027
"284227"	659.212676	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+H"	1.007276
"676280"	988.315376	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+H"	1.007276
"1351532"	330.109976	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H"	1.007276
"125714"	330.109976	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+2H"	2.014552
"566530"	494.661326	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+2H"	2.014552
"1038252"	165.558626	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2H"	2.014552
"210165"	220.409076	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+3H"	3.021828
"655927"	330.109976	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+3H"	3.021828
"1175150"	110.708176	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+3H"	3.021828
"438059"	676.239223	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+NH4"	18.033823
"797231"	1005.341923	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+NH4"	18.033823
"1695748"	347.136523	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+NH4"	18.033823
"343660"	338.6232495	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+H+NH4"	19.041099
"733164"	503.1745995	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+H+NH4"	19.041099
"1479700"	174.0718995	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H+NH4"	19.041099
"396923"	681.194618	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+Na"	22.989218
"759009"	1010.297318	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+Na"	22.989218
"1605285"	352.091918	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Na"	22.989218
"322621"	341.100947	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+H+Na"	23.996494
"719053"	505.652297	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+H+Na"	23.996494
"1471051"	176.549597	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H+Na"	23.996494
"1059922"	118.03549	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2H+Na"	25.00377
"1261600"	362.136186	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+CH3OH+H"	33.033486
"380172"	697.168558	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+K"	38.963158
"745542"	1026.271258	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+K"	38.963158
"1544314"	368.065858	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+K"	38.963158
"303675"	349.087917	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+H+K"	39.970434
"701567"	513.639267	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+H+K"	39.970434
"1452107"	184.536567	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H+K"	39.970434
"245082"	700.239226	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+ACN+H"	42.033826
"1212327"	371.136526	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+ACN+H"	42.033826
"1194869"	186.071901	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+ACN+2H"	43.041102
"192358"	703.17656	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+2Na-H"	44.97116
"629731"	1032.27926	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+2Na-H"	44.97116
"1132871"	374.07386	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2Na-H"	44.97116
"177254"	352.091918	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+2Na"	45.978436
"613531"	516.643268	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+2Na"	45.978436
"1116674"	187.540568	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2Na"	45.978436
"1400322"	125.362804	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H+2Na"	46.985712
"1430493"	376.115446	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H+HCOOH"	47.012746
"222012"	357.12494	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+3H2O+2H"	56.04448
"1508504"	390.16749	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+IsoProp+H"	61.06479
"414877"	360.078888	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+Na+K"	61.952376
"770765"	524.630238	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+Na+K"	61.952376
"1666730"	195.527538	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Na+K"	61.952376
"251547"	722.221168	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+ACN+Na"	64.015768
"1227418"	393.118468	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+ACN+Na"	64.015768
"1714234"	393.141993	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+NH4+HCOOH"	64.039293
"1183118"	132.690118	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+3Na"	68.967654
"1655563"	398.097388	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Na+HCOOH"	68.994688
"157292"	735.12444	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+2K-H"	76.91904
"601990"	1064.22714	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+2K-H"	76.91904
"1091237"	406.02174	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2K-H"	76.91904
"145503"	368.065858	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"2M+2K"	77.926316
"583604"	532.617208	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"3M+2K"	77.926316
"1073951"	203.514508	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2K"	77.926316
"1102785"	408.036292	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2K+H"	78.933592
"1336617"	408.123907	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+DMSO+H"	79.021207
"1005914"	412.163076	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2ACN+H"	83.060376
"1529108"	413.156708	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+IsoProp+Na+H"	84.054008
"989999"	206.585176	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+2ACN+2H"	84.067652
"1587095"	414.071328	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+K+HCOOH"	84.968628
"1421196"	444.102838	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+H+CF3COOH"	115.000138
"1152576"	227.098451	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+3ACN+2H"	125.094202
"1700303"	461.129385	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+NH4+CF3COOH"	132.026685
"1636319"	466.08478	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+Na+CF3COOH"	136.98208
"1573792"	482.05872	"C18857"	"Fluridone"	"C19H14F3NO"	"329.1027"	"M+K+CF3COOH"	152.95602
"808170"	253.9661	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M"	0
"978422"	234.94771	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-H2O-H"	-19.01839
"65570"	168.303457333333	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M-3H"	-3.021828
"505131"	252.958824	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M-3H"	-3.021828
"884026"	83.6480906666667	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-3H"	-3.021828
"11352"	252.958824	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M-2H"	-2.014552
"448727"	379.941874	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M-2H"	-2.014552
"826530"	125.975774	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-2H"	-2.014552
"85427"	506.924924	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M-H"	-1.007276
"523896"	760.891024	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M-H"	-1.007276
"902793"	252.958824	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-H"	-1.007276
"54981"	523.951471	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M-2H+NH4"	16.019271
"493813"	777.917571	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M-2H+NH4"	16.019271
"873437"	269.985371	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-2H+NH4"	16.019271
"40245"	528.906866	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M-2H+Na"	20.974666
"483084"	782.872966	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M-2H+Na"	20.974666
"860885"	274.940766	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-2H+Na"	20.974666
"1622764"	274.940766	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Na-2H"	20.974666
"94910"	270.947163	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M-H+Cl"	33.962126
"539222"	397.930213	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M-H+Cl"	33.962126
"934560"	143.964113	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-H+Cl"	33.962126
"268742"	542.901602	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+Cl"	34.969402
"664446"	796.867702	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+Cl"	34.969402
"1275027"	288.935502	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Cl"	34.969402
"17582"	544.880806	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M-2H+K"	36.948606
"457877"	798.846906	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M-2H+K"	36.948606
"834219"	290.914706	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-2H+K"	36.948606
"1556610"	290.914706	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+K-2H"	36.948606
"945949"	298.964294	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-H+HCOOH"	44.998194
"364167"	552.930401	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+HCOOH-H"	44.998201
"351330"	566.946051	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+Hac-H"	59.013851
"1504551"	312.979951	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Hac-H"	59.013851
"968810"	320.946251	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-H+NaCOOH"	66.980151
"123188"	288.935502	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+2Cl"	69.938804
"563843"	415.918552	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+2Cl"	69.938804
"1036538"	161.952452	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2Cl"	69.938804
"1256717"	332.884985	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Br"	78.918885
"1318679"	334.940972	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Cl+HCOOH"	80.974872
"1329977"	356.922929	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Cl+NaCOOH"	102.956829
"915567"	366.951686	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M-H+CF3COOH"	112.985586
"1296651"	402.928364	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Cl+CF3COOH"	148.962264
"1370438"	218.953424	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H-2H2O"	-35.012676
"1383192"	236.9634	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H-H2O"	-17.0027
"283486"	508.939476	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+H"	1.007276
"676755"	762.905576	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+H"	1.007276
"1352010"	254.973376	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H"	1.007276
"126024"	254.973376	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+2H"	2.014552
"566400"	381.956426	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+2H"	2.014552
"1040914"	127.990326	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2H"	2.014552
"206995"	170.318009333333	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+3H"	3.021828
"651662"	254.973376	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+3H"	3.021828
"1176354"	85.6626426666667	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+3H"	3.021828
"439263"	525.966023	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+NH4"	18.033823
"800869"	779.932123	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+NH4"	18.033823
"1694762"	271.999923	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+NH4"	18.033823
"344133"	263.4866495	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+H+NH4"	19.041099
"729993"	390.4696995	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+H+NH4"	19.041099
"1481634"	136.5035995	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H+NH4"	19.041099
"397033"	530.921418	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+Na"	22.989218
"756934"	784.887518	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+Na"	22.989218
"1606126"	276.955318	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Na"	22.989218
"321637"	265.964347	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+H+Na"	23.996494
"717340"	392.947397	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+H+Na"	23.996494
"1466786"	138.981297	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H+Na"	23.996494
"1055657"	92.9899566666667	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2H+Na"	25.00377
"1262803"	286.999586	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+CH3OH+H"	33.033486
"378460"	546.895358	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+K"	38.963158
"742372"	800.861458	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+K"	38.963158
"1546611"	292.929258	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+K"	38.963158
"301598"	273.951317	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+H+K"	39.970434
"699489"	400.934367	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+H+K"	39.970434
"1453310"	146.968267	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H+K"	39.970434
"239725"	549.966026	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+ACN+H"	42.033826
"1215715"	295.999926	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+ACN+H"	42.033826
"1195952"	148.503601	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+ACN+2H"	43.041102
"190645"	552.90336	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+2Na-H"	44.97116
"633121"	806.86946	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+2Na-H"	44.97116
"1133223"	298.93726	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2Na-H"	44.97116
"177000"	276.955318	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+2Na"	45.978436
"614858"	403.938368	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+2Na"	45.978436
"1116904"	149.972268	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2Na"	45.978436
"1401405"	100.317270666667	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H+2Na"	46.985712
"1431084"	300.978846	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H+HCOOH"	47.012746
"223579"	281.98834	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+3H2O+2H"	56.04448
"1509086"	315.03089	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+IsoProp+H"	61.06479
"413894"	284.942288	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+Na+K"	61.952376
"770386"	411.925338	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+Na+K"	61.952376
"1666840"	157.959238	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Na+K"	61.952376
"254453"	571.947968	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+ACN+Na"	64.015768
"1227528"	317.981868	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+ACN+Na"	64.015768
"1713981"	318.005393	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+NH4+HCOOH"	64.039293
"1183228"	107.644584666667	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+3Na"	68.967654
"1650001"	322.960788	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Na+HCOOH"	68.994688
"158160"	584.85124	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+2K-H"	76.91904
"603192"	838.81734	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+2K-H"	76.91904
"1089889"	330.88514	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2K-H"	76.91904
"145613"	292.929258	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"2M+2K"	77.926316
"586266"	419.912308	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"3M+2K"	77.926316
"1071874"	165.946208	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2K"	77.926316
"1100584"	332.899692	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2K+H"	78.933592
"1336606"	332.987307	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+DMSO+H"	79.021207
"1006104"	337.026476	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2ACN+H"	83.060376
"1529218"	338.020108	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+IsoProp+Na+H"	84.054008
"989974"	169.016876	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+2ACN+2H"	84.067652
"1587368"	338.934728	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+K+HCOOH"	84.968628
"1424586"	368.966238	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+H+CF3COOH"	115.000138
"1151593"	189.530151	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+3ACN+2H"	125.094202
"1703330"	385.992785	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+NH4+CF3COOH"	132.026685
"1637159"	390.94818	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+Na+CF3COOH"	136.98208
"1573538"	406.92212	"C18858"	"Fluroxypyr"	"C7H5Cl2FN2O3"	"253.9661"	"M+K+CF3COOH"	152.95602
"801962"	389.0071	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M"	0
"978532"	369.98871	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-H2O-H"	-19.01839
"65680"	258.330790666667	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M-3H"	-3.021828
"503781"	387.999824	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M-3H"	-3.021828
"883043"	128.661757333333	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-3H"	-3.021828
"12555"	387.999824	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M-2H"	-2.014552
"451023"	582.503374	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M-2H"	-2.014552
"826640"	193.496274	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-2H"	-2.014552
"83349"	777.006924	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M-H"	-1.007276
"524008"	1166.014024	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M-H"	-1.007276
"903996"	387.999824	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-H"	-1.007276
"52904"	794.033471	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M-2H+NH4"	16.019271
"497932"	1183.040571	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M-2H+NH4"	16.019271
"872454"	405.026371	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-2H+NH4"	16.019271
"40355"	798.988866	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M-2H+Na"	20.974666
"484287"	1187.995966	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M-2H+Na"	20.974666
"855528"	409.981766	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-2H+Na"	20.974666
"1621781"	409.981766	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Na-2H"	20.974666
"94780"	405.988163	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M-H+Cl"	33.962126
"543341"	600.491713	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M-H+Cl"	33.962126
"939043"	211.484613	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-H+Cl"	33.962126
"269584"	812.983602	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+Cl"	34.969402
"664555"	1201.990702	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+Cl"	34.969402
"1275866"	423.976502	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Cl"	34.969402
"18789"	814.962806	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M-2H+K"	36.948606
"459078"	1203.969906	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M-2H+K"	36.948606
"833357"	425.955706	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-2H+K"	36.948606
"1557448"	425.955706	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+K-2H"	36.948606
"946059"	434.005294	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-H+HCOOH"	44.998194
"364276"	823.012401	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+HCOOH-H"	44.998201
"351440"	837.028051	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+Hac-H"	59.013851
"1506483"	448.020951	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Hac-H"	59.013851
"967827"	455.987251	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-H+NaCOOH"	66.980151
"124026"	423.976502	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+2Cl"	69.938804
"564440"	618.480052	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+2Cl"	69.938804
"1036920"	229.472952	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2Cl"	69.938804
"1256341"	467.925985	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Br"	78.918885
"1318428"	469.981972	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Cl+HCOOH"	80.974872
"1330087"	491.963929	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Cl+NaCOOH"	102.956829
"914583"	501.992686	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M-H+CF3COOH"	112.985586
"1296760"	537.969364	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Cl+CF3COOH"	148.962264
"1370548"	353.994424	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H-2H2O"	-35.012676
"1384033"	372.0044	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H-H2O"	-17.0027
"283471"	779.021476	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+H"	1.007276
"676865"	1168.028576	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+H"	1.007276
"1352482"	390.014376	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H"	1.007276
"126701"	390.014376	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+2H"	2.014552
"566630"	584.517926	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+2H"	2.014552
"1043211"	195.510826	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2H"	2.014552
"211113"	260.345342666667	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+3H"	3.021828
"651772"	390.014376	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+3H"	3.021828
"1177683"	130.676309333333	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+3H"	3.021828
"438281"	796.048023	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+NH4"	18.033823
"798179"	1185.055123	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+NH4"	18.033823
"1694872"	407.040923	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+NH4"	18.033823
"340964"	398.5276495	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+H+NH4"	19.041099
"730103"	593.0311995	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+H+NH4"	19.041099
"1483925"	204.0240995	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H+NH4"	19.041099
"400419"	801.003418	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+Na"	22.989218
"760320"	1190.010518	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+Na"	22.989218
"1603561"	411.996318	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Na"	22.989218
"320651"	401.005347	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+H+Na"	23.996494
"710884"	595.508897	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+H+Na"	23.996494
"1469084"	206.501797	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H+Na"	23.996494
"1057954"	138.003623333333	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2H+Na"	25.00377
"1266193"	422.040586	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+CH3OH+H"	33.033486
"383673"	816.977358	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+K"	38.963158
"745762"	1205.984458	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+K"	38.963158
"1546720"	427.970258	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+K"	38.963158
"303893"	408.992317	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+H+K"	39.970434
"696318"	603.495867	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+H+K"	39.970434
"1453420"	214.488767	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H+K"	39.970434
"242022"	820.048026	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+ACN+H"	42.033826
"1215825"	431.040926	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+ACN+H"	42.033826
"1196792"	216.024101	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+ACN+2H"	43.041102
"190758"	822.98536	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+2Na-H"	44.97116
"631410"	1211.99246	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+2Na-H"	44.97116
"1132360"	433.97826	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2Na-H"	44.97116
"175652"	411.996318	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+2Na"	45.978436
"614117"	606.499868	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+2Na"	45.978436
"1117746"	217.492768	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2Na"	45.978436
"1400177"	145.330937333333	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H+2Na"	46.985712
"1430712"	436.019846	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H+HCOOH"	47.012746
"223325"	417.02934	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+3H2O+2H"	56.04448
"1509072"	450.07189	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+IsoProp+H"	61.06479
"409610"	419.983288	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+Na+K"	61.952376
"771469"	614.486838	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+Na+K"	61.952376
"1665850"	225.479738	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Na+K"	61.952376
"252739"	842.029968	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+ACN+Na"	64.015768
"1229824"	453.022868	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+ACN+Na"	64.015768
"1713725"	453.046393	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+NH4+HCOOH"	64.039293
"1183338"	152.658251333333	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+3Na"	68.967654
"1650795"	458.001788	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Na+HCOOH"	68.994688
"158024"	854.93324	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+2K-H"	76.91904
"605488"	1243.94034	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+2K-H"	76.91904
"1088176"	465.92614	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2K-H"	76.91904
"145723"	427.970258	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"2M+2K"	77.926316
"584189"	622.473808	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"3M+2K"	77.926316
"1071984"	233.466708	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2K"	77.926316
"1100693"	467.940692	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2K+H"	78.933592
"1336835"	468.028307	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+DMSO+H"	79.021207
"1006944"	472.067476	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2ACN+H"	83.060376
"1531515"	473.061108	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+IsoProp+Na+H"	84.054008
"990292"	236.537376	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+2ACN+2H"	84.067652
"1587123"	473.975728	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+K+HCOOH"	84.968628
"1424696"	504.007238	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+H+CF3COOH"	115.000138
"1151703"	257.050651	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+3ACN+2H"	125.094202
"1703440"	521.033785	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+NH4+CF3COOH"	132.026685
"1637998"	525.98918	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+Na+CF3COOH"	136.98208
"1573648"	541.96312	"C18859"	"Fluthiacet"	"C14H13ClFN3O3S2"	"389.0071"	"M+K+CF3COOH"	152.95602
"802315"	294.9028	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M"	0
"978642"	275.88441	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-H2O-H"	-19.01839
"71257"	195.594590666667	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M-3H"	-3.021828
"505472"	293.895524	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M-3H"	-3.021828
"884247"	97.2936573333333	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-3H"	-3.021828
"11571"	293.895524	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M-2H"	-2.014552
"448946"	441.346924	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M-2H"	-2.014552
"824564"	146.444124	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-2H"	-2.014552
"85648"	588.798324	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M-H"	-1.007276
"530679"	883.701124	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M-H"	-1.007276
"901190"	293.895524	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-H"	-1.007276
"53014"	605.824871	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M-2H+NH4"	16.019271
"493668"	900.727671	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M-2H+NH4"	16.019271
"870376"	310.922071	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-2H+NH4"	16.019271
"38278"	610.780266	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M-2H+Na"	20.974666
"478931"	905.683066	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M-2H+Na"	20.974666
"855638"	315.877466	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-2H+Na"	20.974666
"1621162"	315.877466	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Na-2H"	20.974666
"94485"	311.883863	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M-H+Cl"	33.962126
"535182"	459.335263	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M-H+Cl"	33.962126
"927267"	164.432463	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-H+Cl"	33.962126
"268593"	624.775002	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+Cl"	34.969402
"662479"	919.677802	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+Cl"	34.969402
"1277436"	329.872202	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Cl"	34.969402
"19264"	626.754206	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M-2H+K"	36.948606
"458460"	921.657006	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M-2H+K"	36.948606
"835898"	331.851406	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-2H+K"	36.948606
"1557191"	331.851406	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+K-2H"	36.948606
"945078"	339.900994	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-H+HCOOH"	44.998194
"362200"	634.803801	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+HCOOH-H"	44.998201
"347176"	648.819451	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+Hac-H"	59.013851
"1507445"	353.916651	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Hac-H"	59.013851
"969030"	361.882951	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-H+NaCOOH"	66.980151
"124705"	329.872202	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+2Cl"	69.938804
"565279"	477.323602	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+2Cl"	69.938804
"1036476"	182.420802	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2Cl"	69.938804
"1257035"	373.821685	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Br"	78.918885
"1319547"	375.877672	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Cl+HCOOH"	80.974872
"1330197"	397.859629	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Cl+NaCOOH"	102.956829
"915057"	407.888386	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M-H+CF3COOH"	112.985586
"1291038"	443.865064	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Cl+CF3COOH"	148.962264
"1368590"	259.890124	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H-2H2O"	-35.012676
"1384143"	277.9001	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H-H2O"	-17.0027
"283461"	590.812876	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+H"	1.007276
"678070"	885.715676	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+H"	1.007276
"1352593"	295.910076	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H"	1.007276
"129857"	295.910076	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+2H"	2.014552
"567593"	443.361476	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+2H"	2.014552
"1041135"	148.458676	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2H"	2.014552
"209401"	197.609142666667	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+3H"	3.021828
"651882"	295.910076	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+3H"	3.021828
"1167821"	99.3082093333334	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+3H"	3.021828
"437659"	607.839423	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+NH4"	18.033823
"797560"	902.742223	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+NH4"	18.033823
"1691703"	312.936623	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+NH4"	18.033823
"338887"	304.4233495	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+H+NH4"	19.041099
"731307"	451.8747495	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+H+NH4"	19.041099
"1482942"	156.9719495	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H+NH4"	19.041099
"397250"	612.794818	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+Na"	22.989218
"760429"	907.697618	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+Na"	22.989218
"1604278"	317.892018	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Na"	22.989218
"320761"	306.901047	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+H+Na"	23.996494
"710994"	454.352447	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+H+Na"	23.996494
"1462751"	159.449647	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H+Na"	23.996494
"1055874"	106.635523333333	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2H+Na"	25.00377
"1264111"	327.936286	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+CH3OH+H"	33.033486
"384873"	628.768758	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+K"	38.963158
"742592"	923.671558	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+K"	38.963158
"1544644"	333.865958	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+K"	38.963158
"305099"	314.888017	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+H+K"	39.970434
"698617"	462.339417	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+H+K"	39.970434
"1449154"	167.436617	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H+K"	39.970434
"239944"	631.839426	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+ACN+H"	42.033826
"1213749"	336.936626	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+ACN+H"	42.033826
"1194713"	168.971951	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+ACN+2H"	43.041102
"189409"	634.77676	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+2Na-H"	44.97116
"630791"	929.67956	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+2Na-H"	44.97116
"1134660"	339.87396	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2Na-H"	44.97116
"176855"	317.892018	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+2Na"	45.978436
"613742"	465.343418	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+2Na"	45.978436
"1118099"	170.440618	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2Na"	45.978436
"1400528"	113.962837333333	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H+2Na"	46.985712
"1430944"	341.915546	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H+HCOOH"	47.012746
"221002"	322.92504	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+3H2O+2H"	56.04448
"1508697"	355.96759	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+IsoProp+H"	61.06479
"408995"	325.878988	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+Na+K"	61.952376
"771822"	473.330388	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+Na+K"	61.952376
"1666329"	178.427588	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Na+K"	61.952376
"252358"	653.821368	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+ACN+Na"	64.015768
"1229569"	358.918568	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+ACN+Na"	64.015768
"1714808"	358.942093	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+NH4+HCOOH"	64.039293
"1180529"	121.290151333333	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+3Na"	68.967654
"1651152"	363.897488	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Na+HCOOH"	68.994688
"162755"	666.72464	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+2K-H"	76.91904
"602317"	961.62744	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+2K-H"	76.91904
"1093390"	371.82184	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2K-H"	76.91904
"145832"	333.865958	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"2M+2K"	77.926316
"589767"	481.317358	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"3M+2K"	77.926316
"1069296"	186.414558	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2K"	77.926316
"1103117"	373.836392	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2K+H"	78.933592
"1336826"	373.924007	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+DMSO+H"	79.021207
"1008032"	377.963176	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2ACN+H"	83.060376
"1531626"	378.956808	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+IsoProp+Na+H"	84.054008
"990285"	189.485226	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+2ACN+2H"	84.067652
"1587111"	379.871428	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+K+HCOOH"	84.968628
"1420431"	409.902938	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+H+CF3COOH"	115.000138
"1151813"	209.998501	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+3ACN+2H"	125.094202
"1702458"	426.929485	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+NH4+CF3COOH"	132.026685
"1637013"	431.88488	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+Na+CF3COOH"	136.98208
"1573758"	447.85882	"C18860"	"Folpet"	"C9H4Cl3NO2S"	"294.9028"	"M+K+CF3COOH"	152.95602
"801940"	459.9816	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M"	0
"978752"	440.96321	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-H2O-H"	-19.01839
"72461"	305.647124	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M-3H"	-3.021828
"508741"	458.974324	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M-3H"	-3.021828
"886544"	152.319924	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-3H"	-3.021828
"10588"	458.974324	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M-2H"	-2.014552
"447964"	688.965124	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M-2H"	-2.014552
"826861"	228.983524	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-2H"	-2.014552
"84665"	918.955924	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M-H"	-1.007276
"532855"	1378.937524	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M-H"	-1.007276
"905310"	458.974324	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-H"	-1.007276
"52031"	935.982471	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M-2H+NH4"	16.019271
"492685"	1395.964071	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M-2H+NH4"	16.019271
"868300"	476.000871	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-2H+NH4"	16.019271
"41669"	940.937866	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M-2H+Na"	20.974666
"479041"	1400.919466	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M-2H+Na"	20.974666
"856842"	480.956266	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-2H+Na"	20.974666
"1620908"	480.956266	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Na-2H"	20.974666
"94638"	476.962663	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M-H+Cl"	33.962126
"534567"	706.953463	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M-H+Cl"	33.962126
"927301"	246.971863	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-H+Cl"	33.962126
"268338"	954.932602	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+Cl"	34.969402
"660310"	1414.914202	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+Cl"	34.969402
"1277177"	494.951002	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Cl"	34.969402
"18645"	956.911806	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M-2H+K"	36.948606
"460393"	1416.893406	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M-2H+K"	36.948606
"833821"	496.930206	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-2H+K"	36.948606
"1556694"	496.930206	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+K-2H"	36.948606
"944094"	504.979794	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-H+HCOOH"	44.998194
"363404"	964.961401	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+HCOOH-H"	44.998201
"346146"	978.977051	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+Hac-H"	59.013851
"1498310"	518.995451	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Hac-H"	59.013851
"960385"	526.961751	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-H+NaCOOH"	66.980151
"113668"	494.951002	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+2Cl"	69.938804
"551040"	724.941802	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+2Cl"	69.938804
"1036831"	264.960202	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2Cl"	69.938804
"1256439"	538.900485	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Br"	78.918885
"1319008"	540.956472	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Cl+HCOOH"	80.974872
"1330307"	562.938429	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Cl+NaCOOH"	102.956829
"914803"	572.967186	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M-H+CF3COOH"	112.985586
"1290541"	608.943864	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Cl+CF3COOH"	148.962264
"1367043"	424.968924	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H-2H2O"	-35.012676
"1383889"	442.9789	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H-H2O"	-17.0027
"282871"	920.970476	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+H"	1.007276
"676193"	1380.952076	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+H"	1.007276
"1351390"	460.988876	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H"	1.007276
"127780"	460.988876	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+2H"	2.014552
"565696"	690.979676	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+2H"	2.014552
"1040152"	230.998076	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2H"	2.014552
"209148"	307.661676	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+3H"	3.021828
"645793"	460.988876	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+3H"	3.021828
"1167931"	154.334476	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+3H"	3.021828
"438620"	937.997023	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+NH4"	18.033823
"796577"	1397.978623	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+NH4"	18.033823
"1689624"	478.015423	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+NH4"	18.033823
"340089"	469.5021495	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+H+NH4"	19.041099
"727043"	699.4929495	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+H+NH4"	19.041099
"1480867"	239.5113495	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H+NH4"	19.041099
"395174"	942.952418	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+Na"	22.989218
"755194"	1402.934018	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+Na"	22.989218
"1605360"	482.970818	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Na"	22.989218
"318685"	471.979847	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+H+Na"	23.996494
"708066"	701.970647	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+H+Na"	23.996494
"1462131"	241.989047	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H+Na"	23.996494
"1053189"	161.66179	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2H+Na"	25.00377
"1260942"	493.015086	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+CH3OH+H"	33.033486
"384984"	958.926358	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+K"	38.963158
"742702"	1418.907958	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+K"	38.963158
"1546941"	498.944758	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+K"	38.963158
"305209"	479.966817	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+H+K"	39.970434
"702007"	709.957617	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+H+K"	39.970434
"1449264"	249.976017	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H+K"	39.970434
"237137"	961.997026	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+ACN+H"	42.033826
"1212764"	502.015426	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+ACN+H"	42.033826
"1194582"	251.511351	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+ACN+2H"	43.041102
"194987"	964.93436	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+2Na-H"	44.97116
"632361"	1424.91596	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+2Na-H"	44.97116
"1135867"	504.95276	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2Na-H"	44.97116
"174782"	482.970818	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+2Na"	45.978436
"613246"	712.961618	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+2Na"	45.978436
"1117118"	252.980018	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2Na"	45.978436
"1400275"	168.989104	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H+2Na"	46.985712
"1430571"	506.994346	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H+HCOOH"	47.012746
"220993"	488.00384	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+3H2O+2H"	56.04448
"1508691"	521.04639	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+IsoProp+H"	61.06479
"409469"	490.957788	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+Na+K"	61.952376
"769954"	720.948588	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+Na+K"	61.952376
"1665679"	260.966988	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Na+K"	61.952376
"251409"	983.978968	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+ACN+Na"	64.015768
"1228586"	523.997368	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+ACN+Na"	64.015768
"1714555"	524.020893	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+NH4+HCOOH"	64.039293
"1179665"	176.316418	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+3Na"	68.967654
"1651017"	528.976288	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Na+HCOOH"	68.994688
"158125"	996.88224	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+2K-H"	76.91904
"597439"	1456.86384	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+2K-H"	76.91904
"1085353"	536.90064	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2K-H"	76.91904
"142660"	498.944758	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"2M+2K"	77.926316
"583314"	728.935558	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"3M+2K"	77.926316
"1072206"	268.953958	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2K"	77.926316
"1101524"	538.915192	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2K+H"	78.933592
"1339611"	539.002807	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+DMSO+H"	79.021207
"1006682"	543.041976	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2ACN+H"	83.060376
"1531736"	544.035608	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+IsoProp+Na+H"	84.054008
"989953"	272.024626	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+2ACN+2H"	84.067652
"1587028"	544.950228	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+K+HCOOH"	84.968628
"1417625"	574.981738	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+H+CF3COOH"	115.000138
"1153015"	292.537901	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+3ACN+2H"	125.094202
"1702568"	592.008285	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+NH4+CF3COOH"	132.026685
"1636029"	596.96368	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+Na+CF3COOH"	136.98208
"1573868"	612.93762	"C18861"	"Hexaflumuron"	"C16H8Cl2F6N2O3"	"459.9816"	"M+K+CF3COOH"	152.95602
"811891"	266.2246	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M"	0
"982142"	247.20621	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-H2O-H"	-19.01839
"69291"	176.475790666667	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M-3H"	-3.021828
"507758"	265.217324	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M-3H"	-3.021828
"891028"	87.7342573333333	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-3H"	-3.021828
"8512"	265.217324	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M-2H"	-2.014552
"453910"	398.329624	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M-2H"	-2.014552
"826971"	132.105024	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-2H"	-2.014552
"85869"	531.441924	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M-H"	-1.007276
"529805"	797.666524	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M-H"	-1.007276
"904327"	265.217324	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-H"	-1.007276
"51044"	548.468471	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M-2H+NH4"	16.019271
"491335"	814.693071	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M-2H+NH4"	16.019271
"870596"	282.243871	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-2H+NH4"	16.019271
"43602"	553.423866	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M-2H+Na"	20.974666
"479151"	819.648466	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M-2H+Na"	20.974666
"856952"	287.199266	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-2H+Na"	20.974666
"1622475"	287.199266	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Na-2H"	20.974666
"96085"	283.205663	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M-H+Cl"	33.962126
"538201"	416.317963	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M-H+Cl"	33.962126
"930256"	150.093363	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-H+Cl"	33.962126
"267556"	567.418602	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+Cl"	34.969402
"663785"	833.643202	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+Cl"	34.969402
"1281661"	301.194002	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Cl"	34.969402
"18757"	569.397806	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M-2H+K"	36.948606
"460503"	835.622406	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M-2H+K"	36.948606
"835025"	303.173206	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-2H+K"	36.948606
"1560700"	303.173206	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+K-2H"	36.948606
"947489"	311.222794	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-H+HCOOH"	44.998194
"367891"	577.447401	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+HCOOH-H"	44.998201
"353960"	591.463051	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+Hac-H"	59.013851
"1496234"	325.238451	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Hac-H"	59.013851
"964870"	333.204751	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-H+NaCOOH"	66.980151
"114871"	301.194002	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+2Cl"	69.938804
"555523"	434.306302	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+2Cl"	69.938804
"1037019"	168.081702	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2Cl"	69.938804
"1254482"	345.143485	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Br"	78.918885
"1317296"	347.199472	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Cl+HCOOH"	80.974872
"1327137"	369.181429	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Cl+NaCOOH"	102.956829
"919287"	379.210186	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M-H+CF3COOH"	112.985586
"1293810"	415.186864	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Cl+CF3COOH"	148.962264
"1378531"	231.211924	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H-2H2O"	-35.012676
"1386186"	249.2219	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H-H2O"	-17.0027
"286965"	533.456476	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+H"	1.007276
"676221"	799.681076	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+H"	1.007276
"1352570"	267.231876	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H"	1.007276
"126796"	267.231876	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+2H"	2.014552
"568542"	400.344176	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+2H"	2.014552
"1044639"	134.119576	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2H"	2.014552
"207436"	178.490342666667	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+3H"	3.021828
"646633"	267.231876	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+3H"	3.021828
"1166948"	89.7488093333333	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+3H"	3.021828
"438365"	550.483023	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+NH4"	18.033823
"796687"	816.707623	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+NH4"	18.033823
"1690828"	284.258423	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+NH4"	18.033823
"338013"	275.7451495	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+H+NH4"	19.041099
"731526"	408.8574495	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+H+NH4"	19.041099
"1478791"	142.6328495	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H+NH4"	19.041099
"394187"	555.438418	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+Na"	22.989218
"757373"	821.663018	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+Na"	22.989218
"1609845"	289.213818	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Na"	22.989218
"315514"	278.222847	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+H+Na"	23.996494
"709027"	411.335147	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+H+Na"	23.996494
"1462851"	145.110547	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H+Na"	23.996494
"1057188"	97.0761233333333	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2H+Na"	25.00377
"1263239"	299.258086	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+CH3OH+H"	33.033486
"385094"	571.412358	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+K"	38.963158
"743907"	837.636958	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+K"	38.963158
"1550332"	305.187758	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+K"	38.963158
"306778"	286.209817	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+H+K"	39.970434
"703941"	419.322117	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+H+K"	39.970434
"1451563"	153.097517	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H+K"	39.970434
"239071"	574.483026	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+ACN+H"	42.033826
"1212509"	308.258426	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+ACN+H"	42.033826
"1195786"	154.632851	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+ACN+2H"	43.041102
"194004"	577.42036	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+2Na-H"	44.97116
"632471"	843.64496	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+2Na-H"	44.97116
"1134883"	311.19576	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2Na-H"	44.97116
"175986"	289.213818	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+2Na"	45.978436
"614815"	422.326118	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+2Na"	45.978436
"1120145"	156.101518	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2Na"	45.978436
"1401481"	104.403437333333	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H+2Na"	46.985712
"1431163"	313.237346	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H+HCOOH"	47.012746
"224387"	294.24684	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+3H2O+2H"	56.04448
"1510622"	327.28939	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+IsoProp+H"	61.06479
"411040"	297.200788	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+Na+K"	61.952376
"770377"	430.313088	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+Na+K"	61.952376
"1666546"	164.088488	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Na+K"	61.952376
"255259"	596.464968	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+ACN+Na"	64.015768
"1227602"	330.240368	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+ACN+Na"	64.015768
"1714299"	330.263893	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+NH4+HCOOH"	64.039293
"1179288"	111.730751333333	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+3Na"	68.967654
"1655016"	335.219288	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Na+HCOOH"	68.994688
"158598"	609.36824	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+2K-H"	76.91904
"598153"	875.59284	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+2K-H"	76.91904
"1085951"	343.14364	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2K-H"	76.91904
"141912"	305.187758	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"2M+2K"	77.926316
"584141"	438.300058	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"3M+2K"	77.926316
"1069515"	172.075458	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2K"	77.926316
"1099950"	345.158192	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2K+H"	78.933592
"1336804"	345.245807	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+DMSO+H"	79.021207
"1007159"	349.284976	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2ACN+H"	83.060376
"1528565"	350.278608	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+IsoProp+Na+H"	84.054008
"989933"	175.146126	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+2ACN+2H"	84.067652
"1587044"	351.193228	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+K+HCOOH"	84.968628
"1414683"	381.224738	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+H+CF3COOH"	115.000138
"1147404"	195.659401	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+3ACN+2H"	125.094202
"1698667"	398.251285	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+NH4+CF3COOH"	132.026685
"1635046"	403.20668	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+Na+CF3COOH"	136.98208
"1573978"	419.18062	"C18862"	"Hydroprene"	"C17H30O2"	"266.2246"	"M+K+CF3COOH"	152.95602
"810908"	190.1391	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M"	0
"983346"	171.12071	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-H2O-H"	-19.01839
"75963"	125.752124	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M-3H"	-3.021828
"517593"	189.131824	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M-3H"	-3.021828
"893328"	62.372424	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-3H"	-3.021828
"9716"	189.131824	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M-2H"	-2.014552
"447091"	284.201374	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M-2H"	-2.014552
"822707"	94.062274	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-2H"	-2.014552
"88166"	379.270924	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M-H"	-1.007276
"528822"	569.410024	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M-H"	-1.007276
"904437"	189.131824	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-H"	-1.007276
"52251"	396.297471	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M-2H+NH4"	16.019271
"492905"	586.436571	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M-2H+NH4"	16.019271
"869613"	206.158371	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-2H+NH4"	16.019271
"37513"	401.252866	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M-2H+Na"	20.974666
"477072"	591.391966	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M-2H+Na"	20.974666
"853052"	211.113766	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-2H+Na"	20.974666
"1625501"	211.113766	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Na-2H"	20.974666
"98383"	207.120163	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M-H+Cl"	33.962126
"537583"	302.189713	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M-H+Cl"	33.962126
"929637"	112.050613	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-H+Cl"	33.962126
"271475"	415.247602	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+Cl"	34.969402
"661707"	605.386702	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+Cl"	34.969402
"1280678"	225.108502	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Cl"	34.969402
"16431"	417.226806	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M-2H+K"	36.948606
"456358"	607.365906	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M-2H+K"	36.948606
"834398"	227.087706	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-2H+K"	36.948606
"1559717"	227.087706	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+K-2H"	36.948606
"944319"	235.137294	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-H+HCOOH"	44.998194
"369096"	425.276401	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+HCOOH-H"	44.998201
"350790"	439.292051	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+Hac-H"	59.013851
"1499624"	249.152951	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Hac-H"	59.013851
"963886"	257.119251	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-H+NaCOOH"	66.980151
"119355"	225.108502	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+2Cl"	69.938804
"556727"	320.178052	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+2Cl"	69.938804
"1036724"	130.038952	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2Cl"	69.938804
"1255935"	269.057985	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Br"	78.918885
"1318135"	271.113972	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Cl+HCOOH"	80.974872
"1327248"	293.095929	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Cl+NaCOOH"	102.956829
"922680"	303.124686	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M-H+CF3COOH"	112.985586
"1291733"	339.101364	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Cl+CF3COOH"	148.962264
"1368192"	155.126424	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H-2H2O"	-35.012676
"1389577"	173.1364	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H-H2O"	-17.0027
"284159"	381.285476	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+H"	1.007276
"677552"	571.424576	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+H"	1.007276
"1354751"	191.146376	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H"	1.007276
"130187"	191.146376	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+2H"	2.014552
"568654"	286.215926	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+2H"	2.014552
"1041468"	96.076826	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2H"	2.014552
"209732"	127.766676	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+3H"	3.021828
"651119"	191.146376	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+3H"	3.021828
"1168153"	64.386976	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+3H"	3.021828
"437624"	398.312023	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+NH4"	18.033823
"795704"	588.451123	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+NH4"	18.033823
"1688753"	208.172923	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+NH4"	18.033823
"339218"	199.6596495	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+H+NH4"	19.041099
"729449"	294.7291995	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+H+NH4"	19.041099
"1479993"	104.5900995	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H+NH4"	19.041099
"396488"	403.267418	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+Na"	22.989218
"762949"	593.406518	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+Na"	22.989218
"1605946"	213.128318	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Na"	22.989218
"314347"	202.137347	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+H+Na"	23.996494
"707435"	297.206897	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+H+Na"	23.996494
"1462961"	107.067797	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H+Na"	23.996494
"1056208"	71.71429	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2H+Na"	25.00377
"1260435"	223.172586	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+CH3OH+H"	33.033486
"380831"	419.241358	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+K"	38.963158
"743288"	609.380458	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+K"	38.963158
"1545339"	229.102258	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+K"	38.963158
"305795"	210.124317	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+H+K"	39.970434
"702593"	305.193867	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+H+K"	39.970434
"1449122"	115.054767	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H+K"	39.970434
"241370"	422.312026	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+ACN+H"	42.033826
"1217359"	232.172926	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+ACN+H"	42.033826
"1195775"	116.590101	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+ACN+2H"	43.041102
"189857"	425.24936	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+2Na-H"	44.97116
"634771"	615.38846	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+2Na-H"	44.97116
"1138274"	235.11026	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2Na-H"	44.97116
"180471"	213.128318	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+2Na"	45.978436
"615655"	308.197868	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+2Na"	45.978436
"1118068"	118.058768	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2Na"	45.978436
"1404143"	79.041604	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H+2Na"	46.985712
"1431884"	237.151846	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H+HCOOH"	47.012746
"224496"	218.16134	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+3H2O+2H"	56.04448
"1510005"	251.20389	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+IsoProp+H"	61.06479
"410422"	221.115288	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+Na+K"	61.952376
"771786"	316.184838	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+Na+K"	61.952376
"1666412"	126.045738	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Na+K"	61.952376
"253180"	444.293968	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+ACN+Na"	64.015768
"1226741"	254.154868	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+ACN+Na"	64.015768
"1714289"	254.178393	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+NH4+HCOOH"	64.039293
"1180496"	86.368918	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+3Na"	68.967654
"1651481"	259.133788	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Na+HCOOH"	68.994688
"162354"	457.19724	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+2K-H"	76.91904
"600457"	647.33634	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+2K-H"	76.91904
"1085699"	267.05814	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2K-H"	76.91904
"147256"	229.102258	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"2M+2K"	77.926316
"582072"	324.171808	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"3M+2K"	77.926316
"1073518"	134.032708	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2K"	77.926316
"1103448"	269.072692	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2K+H"	78.933592
"1342020"	269.160307	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+DMSO+H"	79.021207
"1010550"	273.199476	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2ACN+H"	83.060376
"1529770"	274.193108	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+IsoProp+Na+H"	84.054008
"990204"	137.103376	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+2ACN+2H"	84.067652
"1587037"	275.107728	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+K+HCOOH"	84.968628
"1414553"	305.139238	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+H+CF3COOH"	115.000138
"1147880"	157.616651	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+3ACN+2H"	125.094202
"1698410"	322.165785	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+NH4+CF3COOH"	132.026685
"1634192"	327.12118	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+Na+CF3COOH"	136.98208
"1572629"	343.09512	"C18863"	"2-(Octylthio)ethanol;2-Hydroxyethyl octyl sulphide"	"C10H22OS"	"190.1391"	"M+K+CF3COOH"	152.95602
"811018"	261.1113	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M"	0
"984549"	242.09291	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-H2O-H"	-19.01839
"72793"	173.066924	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M-3H"	-3.021828
"517703"	260.104024	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M-3H"	-3.021828
"891251"	86.029824	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-3H"	-3.021828
"12016"	260.104024	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M-2H"	-2.014552
"449388"	390.659674	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M-2H"	-2.014552
"822817"	129.548374	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-2H"	-2.014552
"86088"	521.215324	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M-H"	-1.007276
"527838"	782.326624	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M-H"	-1.007276
"909894"	260.104024	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-H"	-1.007276
"56736"	538.241871	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M-2H+NH4"	16.019271
"496660"	799.353171	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M-2H+NH4"	16.019271
"875191"	277.130571	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-2H+NH4"	16.019271
"44186"	543.197266	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M-2H+Na"	20.974666
"480465"	804.308566	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M-2H+Na"	20.974666
"856079"	282.085966	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-2H+Na"	20.974666
"1622331"	282.085966	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Na-2H"	20.974666
"98858"	278.092363	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M-H+Cl"	33.962126
"538424"	408.648013	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M-H+Cl"	33.962126
"933033"	147.536713	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-H+Cl"	33.962126
"270858"	557.192002	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+Cl"	34.969402
"662546"	818.303302	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+Cl"	34.969402
"1278602"	296.080702	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Cl"	34.969402
"24439"	559.171206	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M-2H+K"	36.948606
"458535"	820.282506	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M-2H+K"	36.948606
"839618"	298.059906	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-2H+K"	36.948606
"1564201"	298.059906	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+K-2H"	36.948606
"943578"	306.109494	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-H+HCOOH"	44.998194
"369205"	567.220801	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+HCOOH-H"	44.998201
"347620"	581.236451	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+Hac-H"	59.013851
"1496454"	320.125151	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Hac-H"	59.013851
"965092"	328.091451	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-H+NaCOOH"	66.980151
"119466"	296.080702	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+2Cl"	69.938804
"561213"	426.636352	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+2Cl"	69.938804
"1035498"	165.525052	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2Cl"	69.938804
"1255681"	340.030185	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Br"	78.918885
"1313143"	342.086172	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Cl+HCOOH"	80.974872
"1332826"	364.068129	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Cl+NaCOOH"	102.956829
"920603"	374.096886	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M-H+CF3COOH"	112.985586
"1297312"	410.073564	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Cl+CF3COOH"	148.962264
"1370005"	226.098624	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H-2H2O"	-35.012676
"1386407"	244.1086	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H-H2O"	-17.0027
"290466"	523.229876	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+H"	1.007276
"678512"	784.341176	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+H"	1.007276
"1354861"	262.118576	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H"	1.007276
"135404"	262.118576	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+2H"	2.014552
"576058"	392.674226	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+2H"	2.014552
"1044860"	131.562926	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2H"	2.014552
"209484"	175.081476	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+3H"	3.021828
"651229"	262.118576	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+3H"	3.021828
"1174827"	88.044376	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+3H"	3.021828
"434819"	540.256423	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+NH4"	18.033823
"796908"	801.367723	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+NH4"	18.033823
"1691052"	279.145123	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+NH4"	18.033823
"342245"	270.6318495	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+H+NH4"	19.041099
"735030"	401.1874995	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+H+NH4"	19.041099
"1480470"	140.0761995	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H+NH4"	19.041099
"403159"	545.211818	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+Na"	22.989218
"760875"	806.323118	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+Na"	22.989218
"1608973"	284.100518	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Na"	22.989218
"317191"	273.109547	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+H+Na"	23.996494
"713626"	403.665197	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+H+Na"	23.996494
"1465261"	142.553897	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H+Na"	23.996494
"1057412"	95.37169	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2H+Na"	25.00377
"1263463"	294.144786	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+CH3OH+H"	33.033486
"382039"	561.185758	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+K"	38.963158
"744128"	822.297058	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+K"	38.963158
"1547638"	300.074458	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+K"	38.963158
"308823"	281.096517	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+H+K"	39.970434
"703798"	411.652167	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+H+K"	39.970434
"1451784"	150.540867	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H+K"	39.970434
"239292"	564.256426	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+ACN+H"	42.033826
"1219658"	303.145126	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+ACN+H"	42.033826
"1195887"	152.076201	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+ACN+2H"	43.041102
"195685"	567.19376	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+2Na-H"	44.97116
"639620"	828.30506	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+2Na-H"	44.97116
"1141670"	306.08246	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2Na-H"	44.97116
"182769"	284.100518	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+2Na"	45.978436
"614672"	414.656168	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+2Na"	45.978436
"1118541"	153.544868	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2Na"	45.978436
"1400973"	102.699004	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H+2Na"	46.985712
"1433819"	308.124046	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H+HCOOH"	47.012746
"222785"	289.13354	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+3H2O+2H"	56.04448
"1510847"	322.17609	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+IsoProp+H"	61.06479
"409440"	292.087488	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+Na+K"	61.952376
"773356"	422.643138	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+Na+K"	61.952376
"1667863"	161.531838	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Na+K"	61.952376
"253654"	586.238368	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+ACN+Na"	64.015768
"1229648"	325.127068	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+ACN+Na"	64.015768
"1715980"	325.150593	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+NH4+HCOOH"	64.039293
"1181700"	110.026318	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+3Na"	68.967654
"1653053"	330.105988	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Na+HCOOH"	68.994688
"159549"	599.14164	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+2K-H"	76.91904
"601665"	860.25294	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+2K-H"	76.91904
"1089457"	338.03034	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2K-H"	76.91904
"142382"	300.074458	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"2M+2K"	77.926316
"588021"	430.630108	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"3M+2K"	77.926316
"1075815"	169.518808	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2K"	77.926316
"1104651"	340.044892	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2K+H"	78.933592
"1342130"	340.132507	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+DMSO+H"	79.021207
"1011754"	344.171676	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2ACN+H"	83.060376
"1532066"	345.165308	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+IsoProp+Na+H"	84.054008
"990367"	172.589476	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+2ACN+2H"	84.067652
"1588036"	346.079928	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+K+HCOOH"	84.968628
"1414788"	376.111438	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+H+CF3COOH"	115.000138
"1148963"	193.102751	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+3ACN+2H"	125.094202
"1698884"	393.137985	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+NH4+CF3COOH"	132.026685
"1640733"	398.09338	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+Na+CF3COOH"	136.98208
"1571645"	414.06732	"C18864"	"Imazapyr"	"C13H15N3O3"	"261.1113"	"M+K+CF3COOH"	152.95602
"808942"	289.1426	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M"	0
"981380"	270.12421	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-H2O-H"	-19.01839
"69622"	191.754457333333	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M-3H"	-3.021828
"515746"	288.135324	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M-3H"	-3.021828
"891362"	95.3735906666667	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-3H"	-3.021828
"11027"	288.135324	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M-2H"	-2.014552
"445123"	432.706624	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M-2H"	-2.014552
"822924"	143.564024	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-2H"	-2.014552
"82917"	577.277924	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M-H"	-1.007276
"521388"	866.420524	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M-H"	-1.007276
"904657"	288.135324	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-H"	-1.007276
"55752"	594.304471	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M-2H+NH4"	16.019271
"499686"	883.447071	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M-2H+NH4"	16.019271
"874207"	305.161871	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-2H+NH4"	16.019271
"41014"	599.259866	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M-2H+Na"	20.974666
"479481"	888.402466	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M-2H+Na"	20.974666
"857283"	310.117266	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-2H+Na"	20.974666
"1622077"	310.117266	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Na-2H"	20.974666
"103347"	306.123663	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M-H+Cl"	33.962126
"541814"	450.694963	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M-H+Cl"	33.962126
"929859"	161.552363	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-H+Cl"	33.962126
"270604"	613.254602	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+Cl"	34.969402
"667402"	902.397202	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+Cl"	34.969402
"1280899"	324.112002	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Cl"	34.969402
"20180"	615.233806	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M-2H+K"	36.948606
"458645"	904.376406	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M-2H+K"	36.948606
"837541"	326.091206	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-2H+K"	36.948606
"1557019"	326.091206	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+K-2H"	36.948606
"946726"	334.140794	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-H+HCOOH"	44.998194
"369314"	623.283401	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+HCOOH-H"	44.998201
"357575"	637.299051	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+Hac-H"	59.013851
"1502034"	348.156451	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Hac-H"	59.013851
"971763"	356.122751	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-H+NaCOOH"	66.980151
"121763"	324.112002	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+2Cl"	69.938804
"564612"	468.683302	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+2Cl"	69.938804
"1035974"	179.540702	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2Cl"	69.938804
"1254456"	368.061485	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Br"	78.918885
"1317269"	370.117472	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Cl+HCOOH"	80.974872
"1334765"	392.099429	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Cl+NaCOOH"	102.956829
"922901"	402.128186	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M-H+CF3COOH"	112.985586
"1298516"	438.104864	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Cl+CF3COOH"	148.962264
"1380689"	254.129924	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H-2H2O"	-35.012676
"1394171"	272.1399	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H-H2O"	-17.0027
"296408"	579.292476	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+H"	1.007276
"679715"	868.435076	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+H"	1.007276
"1354971"	290.149876	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H"	1.007276
"138430"	290.149876	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+2H"	2.014552
"576172"	434.721176	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+2H"	2.014552
"1044972"	145.578576	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2H"	2.014552
"209595"	193.769009333333	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+3H"	3.021828
"655719"	290.149876	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+3H"	3.021828
"1177978"	97.3881426666667	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+3H"	3.021828
"439184"	596.319023	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+NH4"	18.033823
"796290"	885.461623	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+NH4"	18.033823
"1696510"	307.176423	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+NH4"	18.033823
"342355"	298.6631495	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+H+NH4"	19.041099
"729676"	443.2344495	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+H+NH4"	19.041099
"1485685"	154.0918495	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H+NH4"	19.041099
"396710"	601.274418	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+Na"	22.989218
"759891"	890.417018	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+Na"	22.989218
"1612371"	312.131818	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Na"	22.989218
"320219"	301.140847	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+H+Na"	23.996494
"714830"	445.712147	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+H+Na"	23.996494
"1465371"	156.569547	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H+Na"	23.996494
"1058616"	104.715456666667	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2H+Na"	25.00377
"1265759"	322.176086	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+CH3OH+H"	33.033486
"384335"	617.248358	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+K"	38.963158
"746425"	906.390958	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+K"	38.963158
"1550664"	328.105758	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+K"	38.963158
"308931"	309.127817	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+H+K"	39.970434
"701355"	453.699117	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+H+K"	39.970434
"1456268"	164.556517	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H+K"	39.970434
"247058"	620.319026	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+ACN+H"	42.033826
"1213573"	331.176426	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+ACN+H"	42.033826
"1199279"	166.091851	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+ACN+2H"	43.041102
"195431"	623.25636	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+2Na-H"	44.97116
"640095"	912.39896	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+2Na-H"	44.97116
"1145057"	334.11376	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2Na-H"	44.97116
"178871"	312.131818	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+2Na"	45.978436
"615149"	456.703118	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+2Na"	45.978436
"1120113"	167.560518	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2Na"	45.978436
"1401448"	112.042770666667	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H+2Na"	46.985712
"1433929"	336.155346	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H+HCOOH"	47.012746
"225082"	317.16484	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+3H2O+2H"	56.04448
"1512053"	350.20739	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+IsoProp+H"	61.06479
"415756"	320.118788	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+Na+K"	61.952376
"773102"	464.690088	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+Na+K"	61.952376
"1669071"	175.547488	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Na+K"	61.952376
"254495"	642.300968	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+ACN+Na"	64.015768
"1232310"	353.158368	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+ACN+Na"	64.015768
"1715363"	353.181893	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+NH4+HCOOH"	64.039293
"1181081"	119.370084666667	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+3Na"	68.967654
"1653164"	358.137288	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Na+HCOOH"	68.994688
"160025"	655.20424	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+2K-H"	76.91904
"606148"	944.34684	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+2K-H"	76.91904
"1089567"	366.06164	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2K-H"	76.91904
"146383"	328.105758	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"2M+2K"	77.926316
"587038"	472.677058	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"3M+2K"	77.926316
"1072644"	183.534458	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2K"	77.926316
"1108041"	368.076192	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2K+H"	78.933592
"1336770"	368.163807	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+DMSO+H"	79.021207
"1014050"	372.202976	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2ACN+H"	83.060376
"1528897"	373.196608	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+IsoProp+Na+H"	84.054008
"990725"	186.605126	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+2ACN+2H"	84.067652
"1587103"	374.111228	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+K+HCOOH"	84.968628
"1415505"	404.142738	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+H+CF3COOH"	115.000138
"1147616"	207.118401	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+3ACN+2H"	125.094202
"1697534"	421.169285	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+NH4+CF3COOH"	132.026685
"1635375"	426.12468	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+Na+CF3COOH"	136.98208
"1572121"	442.09862	"C18865"	"Imazethapyr"	"C15H19N3O3"	"289.1426"	"M+K+CF3COOH"	152.95602
"809052"	320.21	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M"	0
"977116"	301.19161	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-H2O-H"	-19.01839
"68639"	212.466057333333	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M-3H"	-3.021828
"514762"	319.202724	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M-3H"	-3.021828
"890379"	105.729390666667	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-3H"	-3.021828
"11137"	319.202724	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M-2H"	-2.014552
"444139"	479.307724	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M-2H"	-2.014552
"824128"	159.097724	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-2H"	-2.014552
"81935"	639.412724	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M-H"	-1.007276
"526966"	959.622724	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M-H"	-1.007276
"901487"	319.202724	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-H"	-1.007276
"50393"	656.439271	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M-2H+NH4"	16.019271
"493235"	976.649271	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M-2H+NH4"	16.019271
"872130"	336.229271	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-2H+NH4"	16.019271
"42218"	661.394666	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M-2H+Na"	20.974666
"480685"	981.604666	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M-2H+Na"	20.974666
"856300"	341.184666	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-2H+Na"	20.974666
"1619635"	341.184666	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Na-2H"	20.974666
"101270"	337.191063	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M-H+Cl"	33.962126
"538644"	497.296063	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M-H+Cl"	33.962126
"928511"	177.086063	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-H+Cl"	33.962126
"270350"	675.389402	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+Cl"	34.969402
"661313"	995.599402	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+Cl"	34.969402
"1274810"	355.179402	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Cl"	34.969402
"19191"	677.368606	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M-2H+K"	36.948606
"463127"	997.578606	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M-2H+K"	36.948606
"833392"	357.158606	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-2H+K"	36.948606
"1555611"	357.158606	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+K-2H"	36.948606
"943146"	365.208194	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-H+HCOOH"	44.998194
"362253"	685.418201	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+HCOOH-H"	44.998201
"352218"	699.433851	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+Hac-H"	59.013851
"1495582"	379.223851	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Hac-H"	59.013851
"964217"	387.190151	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-H+NaCOOH"	66.980151
"118592"	355.179402	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+2Cl"	69.938804
"564967"	515.284402	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+2Cl"	69.938804
"1036450"	195.074402	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2Cl"	69.938804
"1256025"	399.128885	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Br"	78.918885
"1318472"	401.184872	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Cl+HCOOH"	80.974872
"1334508"	423.166829	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Cl+NaCOOH"	102.956829
"924835"	433.195586	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M-H+CF3COOH"	112.985586
"1298626"	469.172264	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Cl+CF3COOH"	148.962264
"1380798"	285.197324	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H-2H2O"	-35.012676
"1396470"	303.2073	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H-H2O"	-17.0027
"296153"	641.427276	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+H"	1.007276
"679825"	961.637276	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+H"	1.007276
"1353988"	321.217276	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H"	1.007276
"138540"	321.217276	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+2H"	2.014552
"575188"	481.322276	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+2H"	2.014552
"1045082"	161.112276	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2H"	2.014552
"212985"	214.480609333333	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+3H"	3.021828
"658139"	321.217276	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+3H"	3.021828
"1177844"	107.743942666667	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+3H"	3.021828
"433944"	658.453823	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+NH4"	18.033823
"796763"	978.663823	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+NH4"	18.033823
"1694554"	338.243823	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+NH4"	18.033823
"342829"	329.7305495	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+H+NH4"	19.041099
"731973"	489.8355495	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+H+NH4"	19.041099
"1487982"	169.6255495	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H+NH4"	19.041099
"401194"	663.409218	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+Na"	22.989218
"764376"	983.619218	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+Na"	22.989218
"1611388"	343.199218	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Na"	22.989218
"320328"	332.208247	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+H+Na"	23.996494
"714940"	492.313247	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+H+Na"	23.996494
"1467668"	172.103247	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H+Na"	23.996494
"1060913"	115.071256666667	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2H+Na"	25.00377
"1265869"	353.243486	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+CH3OH+H"	33.033486
"386633"	679.383158	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+K"	38.963158
"746537"	999.593158	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+K"	38.963158
"1551868"	359.173158	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+K"	38.963158
"307949"	340.195217	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+H+K"	39.970434
"703652"	500.300217	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+H+K"	39.970434
"1454192"	180.090217	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H+K"	39.970434
"246075"	682.453826	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+ACN+H"	42.033826
"1217693"	362.243826	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+ACN+H"	42.033826
"1200484"	181.625551	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+ACN+2H"	43.041102
"197728"	685.39116	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+2Na-H"	44.97116
"638383"	1005.60116	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+2Na-H"	44.97116
"1141887"	365.18116	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2Na-H"	44.97116
"181897"	343.199218	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+2Na"	45.978436
"619270"	503.304218	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+2Na"	45.978436
"1120223"	183.094218	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2Na"	45.978436
"1400465"	122.398570666667	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H+2Na"	46.985712
"1432211"	367.222746	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H+HCOOH"	47.012746
"222757"	348.23224	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+3H2O+2H"	56.04448
"1510337"	381.27479	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+IsoProp+H"	61.06479
"411489"	351.186188	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+Na+K"	61.952376
"771387"	511.291188	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+Na+K"	61.952376
"1668448"	191.081188	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Na+K"	61.952376
"253876"	704.435768	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+ACN+Na"	64.015768
"1229503"	384.225768	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+ACN+Na"	64.015768
"1715836"	384.249293	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+NH4+HCOOH"	64.039293
"1179368"	129.725884666667	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+3Na"	68.967654
"1652177"	389.204688	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Na+HCOOH"	68.994688
"159042"	717.33904	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+2K-H"	76.91904
"606258"	1037.54904	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+2K-H"	76.91904
"1086396"	397.12904	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2K-H"	76.91904
"146493"	359.173158	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"2M+2K"	77.926316
"586055"	519.278158	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"3M+2K"	77.926316
"1068744"	199.068158	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2K"	77.926316
"1109244"	399.143592	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2K+H"	78.933592
"1336880"	399.231207	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+DMSO+H"	79.021207
"1014160"	403.270376	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2ACN+H"	83.060376
"1529007"	404.264008	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+IsoProp+Na+H"	84.054008
"990228"	202.138826	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+2ACN+2H"	84.067652
"1587118"	405.178628	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+K+HCOOH"	84.968628
"1414642"	435.210138	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+H+CF3COOH"	115.000138
"1147362"	222.652101	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+3ACN+2H"	125.094202
"1697764"	452.236685	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+NH4+CF3COOH"	132.026685
"1634513"	457.19208	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+Na+CF3COOH"	136.98208
"1574418"	473.16602	"C18866"	"Iprovalicarb"	"C18H28N2O3"	"320.21"	"M+K+CF3COOH"	152.95602
"812444"	417.0065	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M"	0
"985977"	397.98811	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-H2O-H"	-19.01839
"75311"	276.997057333333	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M-3H"	-3.021828
"510500"	415.999224	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M-3H"	-3.021828
"892675"	137.994890666667	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-3H"	-3.021828
"4690"	415.999224	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M-2H"	-2.014552
"444253"	624.502474	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M-2H"	-2.014552
"819867"	207.495974	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-2H"	-2.014552
"86418"	833.005724	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M-H"	-1.007276
"522701"	1250.012224	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M-H"	-1.007276
"900506"	415.999224	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-H"	-1.007276
"51963"	850.032271	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M-2H+NH4"	16.019271
"493347"	1267.038771	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M-2H+NH4"	16.019271
"870055"	433.025771	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-2H+NH4"	16.019271
"41967"	854.987666	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M-2H+Na"	20.974666
"479704"	1271.994166	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M-2H+Na"	20.974666
"857504"	437.981166	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-2H+Na"	20.974666
"1624853"	437.981166	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Na-2H"	20.974666
"103569"	433.987563	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M-H+Cl"	33.962126
"537665"	642.490813	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M-H+Cl"	33.962126
"938833"	225.484313	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-H+Cl"	33.962126
"274109"	868.982402	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+Cl"	34.969402
"667624"	1285.988902	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+Cl"	34.969402
"1277844"	451.975902	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Cl"	34.969402
"18212"	870.961606	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M-2H+K"	36.948606
"457161"	1287.968106	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M-2H+K"	36.948606
"833385"	453.955106	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-2H+K"	36.948606
"1555704"	453.955106	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+K-2H"	36.948606
"949136"	462.004694	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-H+HCOOH"	44.998194
"369537"	879.011201	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+HCOOH-H"	44.998201
"352332"	893.026851	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+Hac-H"	59.013851
"1498977"	476.020351	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Hac-H"	59.013851
"971258"	483.986651	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-H+NaCOOH"	66.980151
"124056"	451.975902	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+2Cl"	69.938804
"561552"	660.479152	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+2Cl"	69.938804
"1030354"	243.472652	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2Cl"	69.938804
"1249931"	495.925385	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Br"	78.918885
"1311287"	497.981372	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Cl+HCOOH"	80.974872
"1325504"	519.963329	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Cl+NaCOOH"	102.956829
"919839"	529.992086	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M-H+CF3COOH"	112.985586
"1295453"	565.968764	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Cl+CF3COOH"	148.962264
"1374709"	381.993824	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H-2H2O"	-35.012676
"1392205"	400.0038	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H-H2O"	-17.0027
"292986"	835.020276	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+H"	1.007276
"690391"	1252.026776	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+H"	1.007276
"1363941"	418.013776	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H"	1.007276
"136832"	418.013776	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+2H"	2.014552
"573116"	626.517026	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+2H"	2.014552
"1045195"	209.510526	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2H"	2.014552
"205445"	279.011609333333	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+3H"	3.021828
"646460"	418.013776	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+3H"	3.021828
"1164588"	140.009442666667	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+3H"	3.021828
"428591"	852.046823	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+NH4"	18.033823
"793959"	1269.053323	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+NH4"	18.033823
"1692475"	435.040323	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+NH4"	18.033823
"336382"	426.5270495	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+H+NH4"	19.041099
"729896"	635.0302995	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+H+NH4"	19.041099
"1483720"	218.0237995	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H+NH4"	19.041099
"402399"	857.002218	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+Na"	22.989218
"761208"	1274.008718	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+Na"	22.989218
"1614782"	439.995718	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Na"	22.989218
"323727"	429.004747	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+H+Na"	23.996494
"715421"	637.507997	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+H+Na"	23.996494
"1468877"	220.501497	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H+Na"	23.996494
"1059937"	147.336756666667	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2H+Na"	25.00377
"1261612"	450.039986	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+CH3OH+H"	33.033486
"383465"	872.976158	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+K"	38.963158
"742274"	1289.982658	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+K"	38.963158
"1543597"	455.969658	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+K"	38.963158
"300411"	436.991717	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+H+K"	39.970434
"693925"	645.494967	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+H+K"	39.970434
"1447383"	228.488467	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H+K"	39.970434
"237076"	876.046826	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+ACN+H"	42.033826
"1213796"	459.040326	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+ACN+H"	42.033826
"1195490"	230.023801	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+ACN+2H"	43.041102
"189210"	878.98416	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+2Na-H"	44.97116
"633025"	1295.99066	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+2Na-H"	44.97116
"1133978"	461.97766	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2Na-H"	44.97116
"175075"	439.995718	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+2Na"	45.978436
"615364"	648.498968	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+2Na"	45.978436
"1118140"	231.492468	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2Na"	45.978436
"1401299"	154.664070666667	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H+2Na"	46.985712
"1431959"	464.019246	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H+HCOOH"	47.012746
"221289"	445.02874	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+3H2O+2H"	56.04448
"1509719"	478.07129	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+IsoProp+H"	61.06479
"412695"	447.982688	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+Na+K"	61.952376
"773322"	656.485938	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+Na+K"	61.952376
"1668196"	239.479438	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Na+K"	61.952376
"255442"	898.028768	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+ACN+Na"	64.015768
"1230346"	481.022268	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+ACN+Na"	64.015768
"1716312"	481.045793	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+NH4+HCOOH"	64.039293
"1180940"	161.991384666667	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+3Na"	68.967654
"1653386"	486.001188	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Na+HCOOH"	68.994688
"165716"	910.93204	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+2K-H"	76.91904
"605275"	1327.93854	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+2K-H"	76.91904
"1094162"	493.92554	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2K-H"	76.91904
"145511"	455.969658	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"2M+2K"	77.926316
"588353"	664.472908	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"3M+2K"	77.926316
"1069584"	247.466408	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2K"	77.926316
"1108262"	495.940092	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2K+H"	78.933592
"1342461"	496.027707	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+DMSO+H"	79.021207
"1008804"	500.066876	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2ACN+H"	83.060376
"1532396"	501.060508	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+IsoProp+Na+H"	84.054008
"997759"	250.537076	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+2ACN+2H"	84.067652
"1594449"	501.975128	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+K+HCOOH"	84.968628
"1419014"	532.006638	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+H+CF3COOH"	115.000138
"1152581"	271.050351	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+3ACN+2H"	125.094202
"1701040"	549.033185	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+NH4+CF3COOH"	132.026685
"1634907"	553.98858	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+Na+CF3COOH"	136.98208
"1573435"	569.96252	"C18867"	"Metosulam"	"C14H13Cl2N5O4S"	"417.0065"	"M+K+CF3COOH"	152.95602
"812551"	271.1572	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M"	0
"981709"	252.13881	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-H2O-H"	-19.01839
"75420"	179.764190666667	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M-3H"	-3.021828
"511704"	270.149924	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M-3H"	-3.021828
"891691"	89.3784573333333	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-3H"	-3.021828
"2614"	270.149924	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M-2H"	-2.014552
"444363"	405.728524	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M-2H"	-2.014552
"821070"	134.571324	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-2H"	-2.014552
"86527"	541.307124	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M-H"	-1.007276
"522082"	812.464324	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M-H"	-1.007276
"903895"	270.149924	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-H"	-1.007276
"56083"	558.333671	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M-2H+NH4"	16.019271
"493457"	829.490871	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M-2H+NH4"	16.019271
"871258"	287.176471	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-2H+NH4"	16.019271
"42805"	563.289066	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M-2H+Na"	20.974666
"482000"	834.446266	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M-2H+Na"	20.974666
"854698"	292.131866	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-2H+Na"	20.974666
"1624963"	292.131866	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Na-2H"	20.974666
"103679"	288.138263	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M-H+Cl"	33.962126
"542149"	423.716863	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M-H+Cl"	33.962126
"939673"	152.559663	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-H+Cl"	33.962126
"273126"	577.283802	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+Cl"	34.969402
"666640"	848.441002	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+Cl"	34.969402
"1274674"	306.126602	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Cl"	34.969402
"19416"	579.263006	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M-2H+K"	36.948606
"458244"	850.420206	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M-2H+K"	36.948606
"833372"	308.105806	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-2H+K"	36.948606
"1555691"	308.105806	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+K-2H"	36.948606
"943774"	316.155394	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-H+HCOOH"	44.998194
"361864"	587.312601	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+HCOOH-H"	44.998201
"352438"	601.328251	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+Hac-H"	59.013851
"1495073"	330.171051	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Hac-H"	59.013851
"964437"	338.137351	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-H+NaCOOH"	66.980151
"125388"	306.126602	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+2Cl"	69.938804
"562753"	441.705202	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+2Cl"	69.938804
"1035206"	170.548002	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2Cl"	69.938804
"1254416"	350.076085	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Br"	78.918885
"1316499"	352.132072	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Cl+HCOOH"	80.974872
"1326704"	374.114029	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Cl+NaCOOH"	102.956829
"919951"	384.142786	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M-H+CF3COOH"	112.985586
"1297752"	420.119464	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Cl+CF3COOH"	148.962264
"1379192"	236.144524	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H-2H2O"	-35.012676
"1393407"	254.1545	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H-H2O"	-17.0027
"287625"	543.321676	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+H"	1.007276
"676763"	814.478876	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+H"	1.007276
"1353112"	272.164476	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H"	1.007276
"129282"	272.164476	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+2H"	2.014552
"577595"	407.743076	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+2H"	2.014552
"1043115"	136.585876	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2H"	2.014552
"209925"	181.778742666667	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+3H"	3.021828
"647666"	272.164476	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+3H"	3.021828
"1164454"	91.3930093333333	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+3H"	3.021828
"429064"	560.348223	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+NH4"	18.033823
"787872"	831.505423	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+NH4"	18.033823
"1685658"	289.191023	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+NH4"	18.033823
"333939"	280.6777495	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+H+NH4"	19.041099
"724899"	416.2563495	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+H+NH4"	19.041099
"1482007"	145.0991495	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H+NH4"	19.041099
"398134"	565.303618	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+Na"	22.989218
"763505"	836.460818	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+Na"	22.989218
"1616110"	294.146418	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Na"	22.989218
"323839"	283.155447	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+H+Na"	23.996494
"714074"	418.734047	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+H+Na"	23.996494
"1468987"	147.576847	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H+Na"	23.996494
"1061140"	98.7203233333333	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2H+Na"	25.00377
"1262815"	304.190686	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+CH3OH+H"	33.033486
"385762"	581.277558	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+K"	38.963158
"743478"	852.434758	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+K"	38.963158
"1543343"	310.120358	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+K"	38.963158
"304894"	291.142417	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+H+K"	39.970434
"696585"	426.721017	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+H+K"	39.970434
"1447493"	155.563817	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H+K"	39.970434
"237186"	584.348226	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+ACN+H"	42.033826
"1211352"	313.191026	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+ACN+H"	42.033826
"1195964"	157.099151	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+ACN+2H"	43.041102
"190294"	587.28556	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+2Na-H"	44.97116
"632770"	858.44276	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+2Na-H"	44.97116
"1138828"	316.12836	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2Na-H"	44.97116
"174821"	294.146418	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+2Na"	45.978436
"615476"	429.725018	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+2Na"	45.978436
"1118251"	158.567818	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2Na"	45.978436
"1400318"	106.047637333333	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H+2Na"	46.985712
"1432069"	318.169946	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H+HCOOH"	47.012746
"221399"	299.17944	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+3H2O+2H"	56.04448
"1508978"	332.22199	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+IsoProp+H"	61.06479
"413898"	302.133388	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+Na+K"	61.952376
"773068"	437.711988	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+Na+K"	61.952376
"1667947"	166.554788	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Na+K"	61.952376
"254465"	606.330168	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+ACN+Na"	64.015768
"1229363"	335.172968	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+ACN+Na"	64.015768
"1714962"	335.196493	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+NH4+HCOOH"	64.039293
"1181048"	113.374951333333	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+3Na"	68.967654
"1652035"	340.151888	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Na+HCOOH"	68.994688
"162546"	619.23344	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+2K-H"	76.91904
"604291"	890.39064	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+2K-H"	76.91904
"1094273"	348.07624	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2K-H"	76.91904
"145621"	310.120358	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"2M+2K"	77.926316
"586276"	445.698958	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"3M+2K"	77.926316
"1069815"	174.541758	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2K"	77.926316
"1106186"	350.090792	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2K+H"	78.933592
"1339290"	350.178407	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+DMSO+H"	79.021207
"1013288"	354.217576	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2ACN+H"	83.060376
"1532506"	355.211208	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+IsoProp+Na+H"	84.054008
"995682"	177.612426	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+2ACN+2H"	84.067652
"1594558"	356.125828	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+K+HCOOH"	84.968628
"1419124"	386.157338	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+H+CF3COOH"	115.000138
"1152691"	198.125701	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+3ACN+2H"	125.094202
"1701150"	403.183885	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+NH4+CF3COOH"	132.026685
"1636800"	408.13928	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+Na+CF3COOH"	136.98208
"1571438"	424.11322	"C18868"	"Napropamide"	"C17H21NO2"	"271.1572"	"M+K+CF3COOH"	152.95602
"815217"	291.0895	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M"	0
"986197"	272.07111	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-H2O-H"	-19.01839
"66784"	193.052390666667	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M-3H"	-3.021828
"510722"	290.082224	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M-3H"	-3.021828
"895583"	96.0225573333333	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-3H"	-3.021828
"14515"	290.082224	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M-2H"	-2.014552
"453223"	435.626974	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M-2H"	-2.014552
"825556"	144.537474	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-2H"	-2.014552
"89922"	581.171724	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M-H"	-1.007276
"528394"	872.261224	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M-H"	-1.007276
"907288"	290.082224	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-H"	-1.007276
"54011"	598.198271	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M-2H+NH4"	16.019271
"491745"	889.287771	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M-2H+NH4"	16.019271
"867726"	307.108771	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-2H+NH4"	16.019271
"40366"	603.153666	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M-2H+Na"	20.974666
"476649"	894.243166	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M-2H+Na"	20.974666
"849591"	312.064166	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-2H+Na"	20.974666
"1620704"	312.064166	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Na-2H"	20.974666
"96138"	308.070563	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M-H+Cl"	33.962126
"536429"	453.615313	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M-H+Cl"	33.962126
"939060"	162.525813	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-H+Cl"	33.962126
"272149"	617.148402	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+Cl"	34.969402
"667851"	908.237902	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+Cl"	34.969402
"1278067"	326.058902	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Cl"	34.969402
"19528"	619.127606	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M-2H+K"	36.948606
"460186"	910.217106	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M-2H+K"	36.948606
"841268"	328.038106	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-2H+K"	36.948606
"1559286"	328.038106	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+K-2H"	36.948606
"950452"	336.087694	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-H+HCOOH"	44.998194
"376576"	627.177201	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+HCOOH-H"	44.998201
"360573"	641.192851	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+Hac-H"	59.013851
"1507594"	350.103351	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Hac-H"	59.013851
"972586"	358.069651	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-H+NaCOOH"	66.980151
"123680"	326.058902	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+2Cl"	69.938804
"564944"	471.603652	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+2Cl"	69.938804
"1030575"	180.514152	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2Cl"	69.938804
"1250154"	370.008385	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Br"	78.918885
"1309685"	372.064372	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Cl+HCOOH"	80.974872
"1327910"	394.046329	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Cl+NaCOOH"	102.956829
"917873"	404.075086	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M-H+CF3COOH"	112.985586
"1294582"	440.051764	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Cl+CF3COOH"	148.962264
"1370921"	256.076824	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H-2H2O"	-35.012676
"1389145"	274.0868	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H-H2O"	-17.0027
"291017"	583.186276	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+H"	1.007276
"680160"	874.275776	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+H"	1.007276
"1357605"	292.096776	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H"	1.007276
"137423"	292.096776	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+2H"	2.014552
"571151"	437.641526	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+2H"	2.014552
"1050894"	146.552026	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2H"	2.014552
"218064"	195.066942666667	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+3H"	3.021828
"653613"	292.096776	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+3H"	3.021828
"1175386"	98.0371093333333	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+3H"	3.021828
"436835"	600.212823	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+NH4"	18.033823
"798925"	891.302323	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+NH4"	18.033823
"1693433"	309.123323	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+NH4"	18.033823
"342074"	300.6100495	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+H+NH4"	19.041099
"730121"	446.1547995	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+H+NH4"	19.041099
"1492337"	155.0652995	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H+NH4"	19.041099
"407979"	605.168218	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+Na"	22.989218
"766907"	896.257718	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+Na"	22.989218
"1615978"	314.078718	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Na"	22.989218
"325043"	303.087747	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+H+Na"	23.996494
"715279"	448.632497	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+H+Na"	23.996494
"1469100"	157.542997	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H+Na"	23.996494
"1058699"	105.364423333333	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2H+Na"	25.00377
"1265117"	324.122986	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+CH3OH+H"	33.033486
"381506"	621.142158	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+K"	38.963158
"739584"	912.231658	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+K"	38.963158
"1540908"	330.052658	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+K"	38.963158
"302825"	311.074717	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+H+K"	39.970434
"694518"	456.619467	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+H+K"	39.970434
"1449430"	165.529967	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H+K"	39.970434
"242042"	624.212826	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+ACN+H"	42.033826
"1213655"	333.123326	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+ACN+H"	42.033826
"1199727"	167.065301	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+ACN+2H"	43.041102
"192596"	627.15016	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+2Na-H"	44.97116
"636535"	918.23966	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+2Na-H"	44.97116
"1136758"	336.06066	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2Na-H"	44.97116
"176766"	314.078718	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+2Na"	45.978436
"619606"	459.623468	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+2Na"	45.978436
"1122022"	168.533968	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2Na"	45.978436
"1406637"	112.691737333333	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H+2Na"	46.985712
"1441673"	338.102246	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H+HCOOH"	47.012746
"230638"	319.11174	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+3H2O+2H"	56.04448
"1521860"	352.15429	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+IsoProp+H"	61.06479
"415105"	322.065688	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+Na+K"	61.952376
"773914"	467.610438	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+Na+K"	61.952376
"1670248"	176.520938	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Na+K"	61.952376
"256769"	646.194768	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+ACN+Na"	64.015768
"1233851"	355.105268	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+ACN+Na"	64.015768
"1717273"	355.128793	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+NH4+HCOOH"	64.039293
"1193196"	120.019051333333	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+3Na"	68.967654
"1653610"	360.084188	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Na+HCOOH"	68.994688
"161568"	659.09804	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+2K-H"	76.91904
"601128"	950.18754	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+2K-H"	76.91904
"1091106"	368.00854	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2K-H"	76.91904
"143915"	330.052658	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"2M+2K"	77.926316
"581649"	475.597408	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"3M+2K"	77.926316
"1069810"	184.507908	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2K"	77.926316
"1103021"	370.023092	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2K+H"	78.933592
"1341594"	370.110707	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+DMSO+H"	79.021207
"1016687"	374.149876	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2ACN+H"	83.060376
"1532625"	375.143508	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+IsoProp+Na+H"	84.054008
"997978"	187.578576	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+2ACN+2H"	84.067652
"1590658"	376.058128	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+K+HCOOH"	84.968628
"1419234"	406.089638	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+H+CF3COOH"	115.000138
"1149521"	208.091851	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+3ACN+2H"	125.094202
"1701260"	423.116185	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+NH4+CF3COOH"	132.026685
"1638005"	428.07158	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+Na+CF3COOH"	136.98208
"1572561"	444.04552	"C18869"	"Naptalam;N-1-Naphthylphthalamic acid"	"C18H13NO3"	"291.0895"	"M+K+CF3COOH"	152.95602
"812771"	692.0685	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M"	0
"986302"	673.05011	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-H2O-H"	-19.01839
"73454"	460.371724	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M-3H"	-3.021828
"511923"	691.061224	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M-3H"	-3.021828
"889724"	229.682224	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-3H"	-3.021828
"10490"	691.061224	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M-2H"	-2.014552
"445675"	1037.095474	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M-2H"	-2.014552
"823475"	345.026974	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-2H"	-2.014552
"87839"	1383.129724	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M-H"	-1.007276
"529593"	2075.198224	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M-H"	-1.007276
"901927"	691.061224	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-H"	-1.007276
"59586"	1400.156271	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M-2H+NH4"	16.019271
"491494"	2092.224771	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M-2H+NH4"	16.019271
"873671"	708.087771	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-2H+NH4"	16.019271
"40476"	1405.111666	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M-2H+Na"	20.974666
"475665"	2097.180166	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M-2H+Na"	20.974666
"853468"	713.043166	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-2H+Na"	20.974666
"1623002"	713.043166	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Na-2H"	20.974666
"98437"	709.049563	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M-H+Cl"	33.962126
"537268"	1055.083813	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M-H+Cl"	33.962126
"938077"	363.015313	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-H+Cl"	33.962126
"272623"	1419.106402	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+Cl"	34.969402
"669054"	2111.174902	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+Cl"	34.969402
"1279270"	727.037902	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Cl"	34.969402
"19636"	1421.085606	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M-2H+K"	36.948606
"461389"	2113.154106	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M-2H+K"	36.948606
"841378"	729.017106	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-2H+K"	36.948606
"1563771"	729.017106	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+K-2H"	36.948606
"950562"	737.066694	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-H+HCOOH"	44.998194
"376766"	1429.135201	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+HCOOH-H"	44.998201
"358010"	1443.150851	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+Hac-H"	59.013851
"1507460"	751.082351	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Hac-H"	59.013851
"973424"	759.048651	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-H+NaCOOH"	66.980151
"124156"	727.037902	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+2Cl"	69.938804
"559699"	1073.072152	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+2Cl"	69.938804
"1028499"	381.003652	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2Cl"	69.938804
"1248077"	770.987385	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Br"	78.918885
"1311616"	773.043372	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Cl+HCOOH"	80.974872
"1326927"	795.025329	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Cl+NaCOOH"	102.956829
"919076"	805.054086	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M-H+CF3COOH"	112.985586
"1295785"	841.030764	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Cl+CF3COOH"	148.962264
"1373947"	657.055824	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H-2H2O"	-35.012676
"1389254"	675.0658	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H-H2O"	-17.0027
"287848"	1385.144276	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+H"	1.007276
"682458"	2077.212776	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+H"	1.007276
"1356622"	693.075776	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H"	1.007276
"134981"	693.075776	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+2H"	2.014552
"571261"	1039.110026	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+2H"	2.014552
"1051369"	347.041526	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2H"	2.014552
"216352"	462.386276	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+3H"	3.021828
"650807"	693.075776	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+3H"	3.021828
"1173309"	231.696776	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+3H"	3.021828
"436945"	1402.170823	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+NH4"	18.033823
"795389"	2094.239323	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+NH4"	18.033823
"1688438"	710.102323	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+NH4"	18.033823
"341092"	701.5890495	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+H+NH4"	19.041099
"730231"	1047.6232995	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+H+NH4"	19.041099
"1492708"	355.5547995	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H+NH4"	19.041099
"408252"	1407.126218	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+Na"	22.989218
"763736"	2099.194718	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+Na"	22.989218
"1616209"	715.057718	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Na"	22.989218
"325153"	704.066747	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+H+Na"	23.996494
"716484"	1050.100997	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+H+Na"	23.996494
"1470304"	358.032497	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H+Na"	23.996494
"1061361"	239.02409	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2H+Na"	25.00377
"1266319"	725.101986	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+CH3OH+H"	33.033486
"384897"	1423.100158	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+K"	38.963158
"739696"	2115.168658	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+K"	38.963158
"1542479"	731.031658	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+K"	38.963158
"305122"	712.053717	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+H+K"	39.970434
"694264"	1058.087967	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+H+K"	39.970434
"1449541"	366.019467	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H+K"	39.970434
"244339"	1426.170826	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+ACN+H"	42.033826
"1218139"	734.102326	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+ACN+H"	42.033826
"1202024"	367.554801	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+ACN+2H"	43.041102
"192706"	1429.10816	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+2Na-H"	44.97116
"639925"	2121.17666	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+2Na-H"	44.97116
"1136868"	737.03966	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2Na-H"	44.97116
"174081"	715.057718	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+2Na"	45.978436
"621903"	1061.091968	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+2Na"	45.978436
"1118481"	369.023468	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2Na"	45.978436
"1406747"	246.351404	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H+2Na"	46.985712
"1443605"	739.081246	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H+HCOOH"	47.012746
"232934"	720.09074	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+3H2O+2H"	56.04448
"1523187"	753.13329	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+IsoProp+H"	61.06479
"416310"	723.044688	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+Na+K"	61.952376
"779493"	1069.078938	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+Na+K"	61.952376
"1675826"	377.010438	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Na+K"	61.952376
"263077"	1448.152768	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+ACN+Na"	64.015768
"1236149"	756.084268	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+ACN+Na"	64.015768
"1718476"	756.107793	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+NH4+HCOOH"	64.039293
"1190390"	253.678718	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+3Na"	68.967654
"1654815"	761.063188	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Na+HCOOH"	68.994688
"161678"	1461.05604	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+2K-H"	76.91904
"604518"	2153.12454	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+2K-H"	76.91904
"1088300"	768.98754	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2K-H"	76.91904
"150221"	731.031658	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"2M+2K"	77.926316
"585409"	1077.065908	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"3M+2K"	77.926316
"1069920"	384.997408	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2K"	77.926316
"1104227"	771.002092	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2K+H"	78.933592
"1339517"	771.089707	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+DMSO+H"	79.021207
"1018984"	775.128876	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2ACN+H"	83.060376
"1532735"	776.122508	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+IsoProp+Na+H"	84.054008
"998089"	388.068076	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+2ACN+2H"	84.067652
"1592590"	777.037128	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+K+HCOOH"	84.968628
"1419343"	807.068638	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+H+CF3COOH"	115.000138
"1150724"	408.581351	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+3ACN+2H"	125.094202
"1703556"	824.095185	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+NH4+CF3COOH"	132.026685
"1639208"	829.05058	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+Na+CF3COOH"	136.98208
"1572671"	845.02452	"C18870"	"Selenodiglutathione;GSSeSG"	"C20H32N6O12S2Se"	"692.0685"	"M+K+CF3COOH"	152.95602
"811788"	387.0003	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M"	0
"977666"	367.98191	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-H2O-H"	-19.01839
"73564"	256.992924	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M-3H"	-3.021828
"506930"	385.993024	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M-3H"	-3.021828
"890928"	127.992824	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-3H"	-3.021828
"6226"	385.993024	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M-2H"	-2.014552
"442505"	579.493174	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M-2H"	-2.014552
"822493"	192.492874	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-2H"	-2.014552
"85763"	772.993324	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M-H"	-1.007276
"526423"	1159.993624	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M-H"	-1.007276
"902037"	385.993024	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-H"	-1.007276
"61640"	790.019871	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M-2H+NH4"	16.019271
"499255"	1177.020171	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M-2H+NH4"	16.019271
"874875"	403.019571	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-2H+NH4"	16.019271
"39494"	794.975266	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M-2H+Na"	20.974666
"477962"	1181.975566	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M-2H+Na"	20.974666
"857952"	407.974966	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-2H+Na"	20.974666
"1625299"	407.974966	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Na-2H"	20.974666
"98548"	403.981363	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M-H+Cl"	33.962126
"537379"	597.481513	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M-H+Cl"	33.962126
"934905"	210.481213	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-H+Cl"	33.962126
"272369"	808.970002	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+Cl"	34.969402
"664790"	1195.970302	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+Cl"	34.969402
"1283754"	421.969702	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Cl"	34.969402
"20840"	810.949206	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M-2H+K"	36.948606
"459676"	1197.949506	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M-2H+K"	36.948606
"839301"	423.948906	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-2H+K"	36.948606
"1567162"	423.948906	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+K-2H"	36.948606
"950308"	431.998494	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-H+HCOOH"	44.998194
"376753"	818.998801	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+HCOOH-H"	44.998201
"357877"	833.014451	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+Hac-H"	59.013851
"1507570"	446.014151	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Hac-H"	59.013851
"972808"	453.980451	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-H+NaCOOH"	66.980151
"124630"	421.969702	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+2Cl"	69.938804
"564919"	615.469852	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+2Cl"	69.938804
"1035906"	228.469552	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2Cl"	69.938804
"1249280"	465.919185	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Br"	78.918885
"1310997"	467.975172	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Cl+HCOOH"	80.974872
"1325215"	489.957129	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Cl+NaCOOH"	102.956829
"917000"	499.985886	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M-H+CF3COOH"	112.985586
"1295894"	535.962564	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Cl+CF3COOH"	148.962264
"1372963"	351.987624	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H-2H2O"	-35.012676
"1389364"	369.9976	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H-H2O"	-17.0027
"287959"	775.007876	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+H"	1.007276
"680381"	1162.008176	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+H"	1.007276
"1356732"	388.007576	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H"	1.007276
"130717"	388.007576	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+2H"	2.014552
"570278"	581.507726	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+2H"	2.014552
"1050384"	194.507426	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2H"	2.014552
"216462"	259.007476	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+3H"	3.021828
"649823"	388.007576	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+3H"	3.021828
"1170134"	130.007376	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+3H"	3.021828
"434503"	792.034423	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+NH4"	18.033823
"794405"	1179.034723	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+NH4"	18.033823
"1686362"	405.034123	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+NH4"	18.033823
"341931"	396.5208495	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+H+NH4"	19.041099
"729248"	590.0209995	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+H+NH4"	19.041099
"1492190"	203.0206995	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H+NH4"	19.041099
"408324"	796.989818	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+Na"	22.989218
"766034"	1183.990118	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+Na"	22.989218
"1617293"	409.989518	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Na"	22.989218
"328544"	398.998547	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+H+Na"	23.996494
"718781"	592.498697	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+H+Na"	23.996494
"1470414"	205.498397	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H+Na"	23.996494
"1062564"	137.33469	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2H+Na"	25.00377
"1270802"	420.033786	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+CH3OH+H"	33.033486
"391205"	812.963758	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+K"	38.963158
"746003"	1199.964058	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+K"	38.963158
"1549149"	425.963458	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+K"	38.963158
"307419"	406.985517	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+H+K"	39.970434
"696560"	600.485667	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+H+K"	39.970434
"1454753"	213.485367	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H+K"	39.970434
"246635"	816.034426	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+ACN+H"	42.033826
"1219342"	429.034126	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+ACN+H"	42.033826
"1203227"	215.020701	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+ACN+2H"	43.041102
"192816"	818.97176	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+2Na-H"	44.97116
"641493"	1205.97206	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+2Na-H"	44.97116
"1136978"	431.97146	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2Na-H"	44.97116
"174920"	409.989518	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+2Na"	45.978436
"617639"	603.489668	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+2Na"	45.978436
"1117617"	216.489368	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2Na"	45.978436
"1404669"	144.662004	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H+2Na"	46.985712
"1444080"	434.013046	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H+HCOOH"	47.012746
"226482"	415.02254	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+3H2O+2H"	56.04448
"1516731"	448.06509	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+IsoProp+H"	61.06479
"416420"	417.976488	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+Na+K"	61.952376
"779603"	611.476638	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+Na+K"	61.952376
"1675936"	224.476338	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Na+K"	61.952376
"264280"	838.016368	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+ACN+Na"	64.015768
"1239539"	451.016068	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+ACN+Na"	64.015768
"1721866"	451.039593	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+NH4+HCOOH"	64.039293
"1193542"	151.989318	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+3Na"	68.967654
"1660392"	455.994988	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Na+HCOOH"	68.994688
"165068"	850.91964	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+2K-H"	76.91904
"607908"	1237.91994	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+2K-H"	76.91904
"1090232"	463.91934	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2K-H"	76.91904
"149238"	425.963458	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"2M+2K"	77.926316
"585519"	619.463608	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"3M+2K"	77.926316
"1070759"	232.463308	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2K"	77.926316
"1107616"	465.933892	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2K+H"	78.933592
"1339991"	466.021507	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+DMSO+H"	79.021207
"1018973"	470.060676	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2ACN+H"	83.060376
"1532845"	471.054308	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+IsoProp+Na+H"	84.054008
"998199"	235.533976	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+2ACN+2H"	84.067652
"1593793"	471.968928	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+K+HCOOH"	84.968628
"1419453"	502.000438	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+H+CF3COOH"	115.000138
"1150834"	256.047251	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+3ACN+2H"	125.094202
"1703666"	519.026985	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+NH4+CF3COOH"	132.026685
"1640411"	523.98238	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+Na+CF3COOH"	136.98208
"1572781"	539.95632	"C18871"	"Glutathioselenol;GSSeH"	"C10H17N3O6SSe"	"387.0003"	"M+K+CF3COOH"	152.95602
"814086"	124.9869	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M"	0
"981056"	105.96851	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-H2O-H"	-19.01839
"75862"	82.317324	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M-3H"	-3.021828
"507769"	123.979624	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M-3H"	-3.021828
"891038"	40.655024	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-3H"	-3.021828
"4149"	123.979624	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M-2H"	-2.014552
"441885"	186.473074	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M-2H"	-2.014552
"824789"	61.486174	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-2H"	-2.014552
"89153"	248.966524	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M-H"	-1.007276
"520696"	373.953424	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M-H"	-1.007276
"898863"	123.979624	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-H"	-1.007276
"56525"	265.993071	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M-2H+NH4"	16.019271
"496084"	390.979971	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M-2H+NH4"	16.019271
"871705"	141.006171	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-2H+NH4"	16.019271
"39604"	270.948466	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M-2H+Na"	20.974666
"475156"	395.935366	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M-2H+Na"	20.974666
"858061"	145.961566	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-2H+Na"	20.974666
"1625409"	145.961566	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Na-2H"	20.974666
"103029"	141.967963	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M-H+Cl"	33.962126
"539310"	204.461413	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M-H+Cl"	33.962126
"931731"	79.474513	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-H+Cl"	33.962126
"272478"	284.943202	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+Cl"	34.969402
"664900"	409.930102	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+Cl"	34.969402
"1282770"	159.956302	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Cl"	34.969402
"17671"	286.922406	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M-2H+K"	36.948606
"459422"	411.909306	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M-2H+K"	36.948606
"837225"	161.935506	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-2H+K"	36.948606
"1561805"	161.935506	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+K-2H"	36.948606
"949689"	169.985094	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-H+HCOOH"	44.998194
"376903"	294.972001	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+HCOOH-H"	44.998201
"358351"	308.987651	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+Hac-H"	59.013851
"1508213"	184.000751	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Hac-H"	59.013851
"973728"	191.967051	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-H+NaCOOH"	66.980151
"125268"	159.956302	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+2Cl"	69.938804
"564904"	222.449752	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+2Cl"	69.938804
"1036743"	97.462852	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2Cl"	69.938804
"1248298"	203.905785	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Br"	78.918885
"1309650"	205.961772	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Cl+HCOOH"	80.974872
"1326054"	227.943729	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Cl+NaCOOH"	102.956829
"917474"	237.972486	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M-H+CF3COOH"	112.985586
"1294911"	273.949164	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Cl+CF3COOH"	148.962264
"1371980"	89.974224	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H-2H2O"	-35.012676
"1388382"	107.9842	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H-H2O"	-17.0027
"289162"	250.981076	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+H"	1.007276
"680855"	375.967976	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+H"	1.007276
"1356842"	125.994176	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H"	1.007276
"130827"	125.994176	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+2H"	2.014552
"570388"	188.487626	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+2H"	2.014552
"1051225"	63.500726	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2H"	2.014552
"218758"	84.331876	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+3H"	3.021828
"649933"	125.994176	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+3H"	3.021828
"1168058"	42.669576	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+3H"	3.021828
"434613"	268.007623	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+NH4"	18.033823
"796337"	392.994523	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+NH4"	18.033823
"1689752"	143.020723	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+NH4"	18.033823
"342405"	134.5074495	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+H+NH4"	19.041099
"732638"	197.0008995	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+H+NH4"	19.041099
"1492259"	72.0139995	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H+NH4"	19.041099
"408311"	272.963018	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+Na"	22.989218
"766145"	397.949918	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+Na"	22.989218
"1616431"	147.976118	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Na"	22.989218
"329264"	136.985147	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+H+Na"	23.996494
"719984"	199.478597	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+H+Na"	23.996494
"1471617"	74.491697	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H+Na"	23.996494
"1060487"	49.99689	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2H+Na"	25.00377
"1268725"	158.020386	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+CH3OH+H"	33.033486
"391678"	288.936958	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+K"	38.963158
"743926"	413.923858	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+K"	38.963158
"1548166"	163.950058	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+K"	38.963158
"305342"	144.972117	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+H+K"	39.970434
"694484"	207.465567	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+H+K"	39.970434
"1451584"	82.478667	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H+K"	39.970434
"243466"	292.007626	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+ACN+H"	42.033826
"1220546"	167.020726	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+ACN+H"	42.033826
"1204432"	84.014001	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+ACN+2H"	43.041102
"199488"	294.94496	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+2Na-H"	44.97116
"641238"	419.93186	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+2Na-H"	44.97116
"1140369"	169.95806	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2Na-H"	44.97116
"173937"	147.976118	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+2Na"	45.978436
"615563"	210.469568	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+2Na"	45.978436
"1116873"	85.482668	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2Na"	45.978436
"1401500"	57.324204	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H+2Na"	46.985712
"1432523"	171.999646	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H+HCOOH"	47.012746
"223313"	153.00914	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+3H2O+2H"	56.04448
"1514655"	186.05169	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+IsoProp+H"	61.06479
"416530"	155.963088	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+Na+K"	61.952376
"773150"	218.456538	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+Na+K"	61.952376
"1678233"	93.469638	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Na+K"	61.952376
"264390"	313.989568	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+ACN+Na"	64.015768
"1239649"	189.002668	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+ACN+Na"	64.015768
"1726350"	189.026193	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+NH4+HCOOH"	64.039293
"1193772"	64.651518	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+3Na"	68.967654
"1660503"	193.981588	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Na+HCOOH"	68.994688
"169550"	326.89284	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+2K-H"	76.91904
"605831"	451.87974	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+2K-H"	76.91904
"1090342"	201.90594	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2K-H"	76.91904
"144974"	163.950058	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"2M+2K"	77.926316
"583805"	226.443508	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"3M+2K"	77.926316
"1072326"	101.456608	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2K"	77.926316
"1104445"	203.920492	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2K+H"	78.933592
"1339005"	204.008107	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+DMSO+H"	79.021207
"1017017"	208.047276	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2ACN+H"	83.060376
"1529673"	209.040908	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+IsoProp+Na+H"	84.054008
"996120"	104.527276	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+2ACN+2H"	84.067652
"1591718"	209.955528	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+K+HCOOH"	84.968628
"1418469"	239.987038	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+H+CF3COOH"	115.000138
"1148757"	125.040551	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+3ACN+2H"	125.094202
"1701589"	257.013585	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+NH4+CF3COOH"	132.026685
"1635417"	261.96898	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+Na+CF3COOH"	136.98208
"1572891"	277.94292	"C18872"	"Trimethylselenonium"	"C3H9Se"	"124.9869"	"M+K+CF3COOH"	152.95602
"813101"	295.1056	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M"	0
"977886"	276.08721	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-H2O-H"	-19.01839
"70504"	195.729790666667	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M-3H"	-3.021828
"504599"	294.098324	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M-3H"	-3.021828
"891147"	97.3612573333333	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-3H"	-3.021828
"2070"	294.098324	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M-2H"	-2.014552
"441630"	441.651124	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M-2H"	-2.014552
"820524"	146.545524	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-2H"	-2.014552
"89263"	589.203924	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M-H"	-1.007276
"519713"	884.309524	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M-H"	-1.007276
"896783"	294.098324	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-H"	-1.007276
"56635"	606.230471	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M-2H+NH4"	16.019271
"495101"	901.336071	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M-2H+NH4"	16.019271
"871815"	311.124871	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-2H+NH4"	16.019271
"33519"	611.185866	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M-2H+Na"	20.974666
"477090"	906.291466	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M-2H+Na"	20.974666
"862545"	316.080266	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-2H+Na"	20.974666
"1628799"	316.080266	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Na-2H"	20.974666
"103139"	312.086663	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M-H+Cl"	33.962126
"549139"	459.639463	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M-H+Cl"	33.962126
"930019"	164.533863	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-H+Cl"	33.962126
"271492"	625.180602	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+Cl"	34.969402
"666102"	920.286202	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+Cl"	34.969402
"1277413"	330.075002	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Cl"	34.969402
"17781"	627.159806	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M-2H+K"	36.948606
"458439"	922.265406	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M-2H+K"	36.948606
"837335"	332.054206	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-2H+K"	36.948606
"1561915"	332.054206	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+K-2H"	36.948606
"949799"	340.103794	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-H+HCOOH"	44.998194
"376284"	635.209401	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+HCOOH-H"	44.998201
"357733"	649.225051	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+Hac-H"	59.013851
"1508354"	354.119451	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Hac-H"	59.013851
"973996"	362.085751	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-H+NaCOOH"	66.980151
"125333"	330.075002	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+2Cl"	69.938804
"565258"	477.627802	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+2Cl"	69.938804
"1035028"	182.522202	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2Cl"	69.938804
"1249500"	374.024485	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Br"	78.918885
"1309760"	376.080472	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Cl+HCOOH"	80.974872
"1325070"	398.062429	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Cl+NaCOOH"	102.956829
"915762"	408.091186	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M-H+CF3COOH"	112.985586
"1292835"	444.067864	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Cl+CF3COOH"	148.962264
"1369902"	260.092924	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H-2H2O"	-35.012676
"1388492"	278.1029	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H-H2O"	-17.0027
"288180"	591.218476	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+H"	1.007276
"681695"	886.324076	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+H"	1.007276
"1356952"	296.112876	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H"	1.007276
"129840"	296.112876	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+2H"	2.014552
"567215"	443.665676	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+2H"	2.014552
"1037838"	148.560076	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2H"	2.014552
"217775"	197.744342666667	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+3H"	3.021828
"650043"	296.112876	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+3H"	3.021828
"1168168"	99.3758093333333	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+3H"	3.021828
"432536"	608.245023	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+NH4"	18.033823
"796811"	903.350623	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+NH4"	18.033823
"1693143"	313.139423	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+NH4"	18.033823
"343611"	304.6261495	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+H+NH4"	19.041099
"731655"	452.1789495	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+H+NH4"	19.041099
"1491560"	157.0733495	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H+NH4"	19.041099
"407811"	613.200418	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+Na"	22.989218
"767349"	908.306018	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+Na"	22.989218
"1613261"	318.094818	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Na"	22.989218
"324391"	307.103847	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+H+Na"	23.996494
"715720"	454.656647	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+H+Na"	23.996494
"1470632"	159.551047	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H+Na"	23.996494
"1063877"	106.703123333333	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2H+Na"	25.00377
"1266648"	328.139086	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+CH3OH+H"	33.033486
"384133"	629.174358	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+K"	38.963158
"745129"	924.279958	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+K"	38.963158
"1549369"	334.068758	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+K"	38.963158
"302536"	315.090817	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+H+K"	39.970434
"694957"	462.643617	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+H+K"	39.970434
"1451694"	167.538017	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H+K"	39.970434
"245763"	632.245026	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+ACN+H"	42.033826
"1220656"	337.139426	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+ACN+H"	42.033826
"1204541"	169.073351	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+ACN+2H"	43.041102
"199598"	635.18236	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+2Na-H"	44.97116
"638069"	930.28796	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+2Na-H"	44.97116
"1140479"	340.07676	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2Na-H"	44.97116
"175383"	318.094818	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+2Na"	45.978436
"615673"	465.647618	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+2Na"	45.978436
"1116132"	170.542018	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2Na"	45.978436
"1401610"	114.030437333333	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H+2Na"	46.985712
"1432633"	342.118346	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H+HCOOH"	47.012746
"223423"	323.12784	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+3H2O+2H"	56.04448
"1514765"	356.17039	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+IsoProp+H"	61.06479
"416640"	326.081788	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+Na+K"	61.952376
"773260"	473.634588	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+Na+K"	61.952376
"1678343"	178.528988	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Na+K"	61.952376
"263771"	654.226968	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+ACN+Na"	64.015768
"1239759"	359.121368	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+ACN+Na"	64.015768
"1724274"	359.144893	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+NH4+HCOOH"	64.039293
"1192908"	121.357751333333	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+3Na"	68.967654
"1663894"	364.100288	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Na+HCOOH"	68.994688
"166380"	667.13024	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+2K-H"	76.91904
"607035"	962.23584	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+2K-H"	76.91904
"1088993"	372.02464	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2K-H"	76.91904
"149458"	334.068758	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"2M+2K"	77.926316
"583914"	481.621558	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"3M+2K"	77.926316
"1071708"	186.515958	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2K"	77.926316
"1104555"	374.039192	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2K+H"	78.933592
"1339116"	374.126807	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+DMSO+H"	79.021207
"1017127"	378.165976	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2ACN+H"	83.060376
"1529784"	379.159608	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+IsoProp+Na+H"	84.054008
"996230"	189.586626	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+2ACN+2H"	84.067652
"1594015"	380.074228	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+K+HCOOH"	84.968628
"1419672"	410.105738	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+H+CF3COOH"	115.000138
"1148867"	210.099901	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+3ACN+2H"	125.094202
"1700606"	427.132285	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+NH4+CF3COOH"	132.026685
"1634798"	432.08768	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+Na+CF3COOH"	136.98208
"1573001"	448.06162	"C18873"	"Nitrothal-isopropyl"	"C14H17NO6"	"295.1056"	"M+K+CF3COOH"	152.95602
"817058"	303.0386	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M"	0
"987837"	284.02021	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-H2O-H"	-19.01839
"74988"	201.018457333333	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M-3H"	-3.021828
"511269"	302.031324	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M-3H"	-3.021828
"889070"	100.005590666667	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-3H"	-3.021828
"5461"	302.031324	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M-2H"	-2.014552
"445020"	453.550624	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M-2H"	-2.014552
"820635"	150.512024	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-2H"	-2.014552
"88280"	605.069924	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M-H"	-1.007276
"520914"	908.108524	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M-H"	-1.007276
"897988"	302.031324	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-H"	-1.007276
"61000"	622.096471	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M-2H+NH4"	16.019271
"497398"	925.135071	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M-2H+NH4"	16.019271
"873018"	319.057871	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-2H+NH4"	16.019271
"34358"	627.051866	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M-2H+Na"	20.974666
"477200"	930.090466	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M-2H+Na"	20.974666
"859376"	324.013266	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-2H+Na"	20.974666
"1625629"	324.013266	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Na-2H"	20.974666
"104342"	320.019663	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M-H+Cl"	33.962126
"546091"	471.538963	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M-H+Cl"	33.962126
"938512"	168.500363	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-H+Cl"	33.962126
"270508"	641.046602	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+Cl"	34.969402
"665116"	944.085202	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+Cl"	34.969402
"1279710"	338.008002	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Cl"	34.969402
"16919"	643.025806	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M-2H+K"	36.948606
"458549"	946.064406	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M-2H+K"	36.948606
"837445"	339.987206	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-2H+K"	36.948606
"1564212"	339.987206	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+K-2H"	36.948606
"949909"	348.036794	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-H+HCOOH"	44.998194
"374695"	651.075401	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+HCOOH-H"	44.998201
"360030"	665.091051	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+Hac-H"	59.013851
"1508149"	362.052451	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Hac-H"	59.013851
"973385"	370.018751	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-H+NaCOOH"	66.980151
"124591"	338.008002	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+2Cl"	69.938804
"564881"	489.527302	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+2Cl"	69.938804
"1036235"	186.488702	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2Cl"	69.938804
"1249611"	381.957485	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Br"	78.918885
"1310963"	384.013472	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Cl+HCOOH"	80.974872
"1324086"	405.995429	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Cl+NaCOOH"	102.956829
"916238"	416.024186	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M-H+CF3COOH"	112.985586
"1292945"	452.000864	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Cl+CF3COOH"	148.962264
"1370134"	268.025924	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H-2H2O"	-35.012676
"1388603"	286.0359	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H-H2O"	-17.0027
"288290"	607.084476	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+H"	1.007276
"681804"	910.123076	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+H"	1.007276
"1355969"	304.045876	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H"	1.007276
"132137"	304.045876	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+2H"	2.014552
"569511"	455.565176	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+2H"	2.014552
"1037947"	152.526576	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2H"	2.014552
"216062"	203.033009333333	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+3H"	3.021828
"650153"	304.045876	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+3H"	3.021828
"1169371"	102.020142666667	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+3H"	3.021828
"430457"	624.111023	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+NH4"	18.033823
"787078"	927.149623	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+NH4"	18.033823
"1683409"	321.072423	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+NH4"	18.033823
"331319"	312.5591495	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+H+NH4"	19.041099
"730671"	464.0784495	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+H+NH4"	19.041099
"1487785"	161.0398495	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H+NH4"	19.041099
"407191"	629.066418	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+Na"	22.989218
"767095"	932.105018	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+Na"	22.989218
"1614465"	326.027818	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Na"	22.989218
"325596"	315.036847	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+H+Na"	23.996494
"719111"	466.556147	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+H+Na"	23.996494
"1470744"	163.517547	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H+Na"	23.996494
"1063987"	109.347456666667	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2H+Na"	25.00377
"1268944"	336.072086	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+CH3OH+H"	33.033486
"385336"	645.040358	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+K"	38.963158
"745240"	948.078958	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+K"	38.963158
"1550572"	342.001758	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+K"	38.963158
"305562"	323.023817	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+H+K"	39.970434
"695797"	474.543117	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+H+K"	39.970434
"1456178"	171.504517	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H+K"	39.970434
"244779"	648.111026	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+ACN+H"	42.033826
"1220766"	345.072426	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+ACN+H"	42.033826
"1202464"	173.039851	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+ACN+2H"	43.041102
"199709"	651.04836	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+2Na-H"	44.97116
"638909"	954.08696	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+2Na-H"	44.97116
"1141683"	348.00976	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2Na-H"	44.97116
"178411"	326.027818	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+2Na"	45.978436
"613961"	477.547118	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+2Na"	45.978436
"1117465"	174.508518	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2Na"	45.978436
"1402815"	116.674770666667	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H+2Na"	46.985712
"1432378"	350.051346	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H+HCOOH"	47.012746
"230094"	331.06084	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+3H2O+2H"	56.04448
"1515969"	364.10339	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+IsoProp+H"	61.06479
"413470"	334.014788	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+Na+K"	61.952376
"772274"	485.534088	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+Na+K"	61.952376
"1676997"	182.495488	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Na+K"	61.952376
"263882"	670.092968	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+ACN+Na"	64.015768
"1238413"	367.054368	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+ACN+Na"	64.015768
"1726937"	367.077893	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+NH4+HCOOH"	64.039293
"1192290"	124.002084666667	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+3Na"	68.967654
"1664492"	372.033288	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Na+HCOOH"	68.994688
"167583"	682.99624	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+2K-H"	76.91904
"607145"	986.03484	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+2K-H"	76.91904
"1090925"	379.95764	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2K-H"	76.91904
"149568"	342.001758	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"2M+2K"	77.926316
"584755"	493.521058	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"3M+2K"	77.926316
"1072547"	190.482458	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2K"	77.926316
"1104665"	381.972192	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2K+H"	78.933592
"1339955"	382.059807	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+DMSO+H"	79.021207
"1013957"	386.098976	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2ACN+H"	83.060376
"1526977"	387.092608	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+IsoProp+Na+H"	84.054008
"994153"	193.553126	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+2ACN+2H"	84.067652
"1591937"	388.007228	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+K+HCOOH"	84.968628
"1418688"	418.038738	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+H+CF3COOH"	115.000138
"1150070"	214.066401	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+3ACN+2H"	125.094202
"1697798"	435.065285	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+NH4+CF3COOH"	132.026685
"1635637"	440.02068	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+Na+CF3COOH"	136.98208
"1573111"	455.99462	"C18874"	"Norflurazon"	"C12H9ClF3N3O"	"303.0386"	"M+K+CF3COOH"	152.95602
"812228"	492.0123	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M"	0
"982480"	472.99391	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-H2O-H"	-19.01839
"76191"	327.000924	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M-3H"	-3.021828
"511380"	491.005024	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M-3H"	-3.021828
"891368"	162.996824	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-3H"	-3.021828
"5570"	491.005024	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M-2H"	-2.014552
"449504"	737.011174	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M-2H"	-2.014552
"821838"	244.998874	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-2H"	-2.014552
"85110"	983.017324	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M-H"	-1.007276
"522485"	1475.029624	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M-H"	-1.007276
"899921"	491.005024	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-H"	-1.007276
"61959"	1000.043871	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M-2H+NH4"	16.019271
"497508"	1492.056171	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M-2H+NH4"	16.019271
"877496"	508.031571	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-2H+NH4"	16.019271
"34100"	1004.999266	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M-2H+Na"	20.974666
"474031"	1497.011566	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M-2H+Na"	20.974666
"851832"	512.986966	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-2H+Na"	20.974666
"1625739"	512.986966	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Na-2H"	20.974666
"106639"	508.993363	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M-H+Cl"	33.962126
"548023"	754.999513	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M-H+Cl"	33.962126
"938622"	262.987213	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-H+Cl"	33.962126
"270618"	1018.994002	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+Cl"	34.969402
"667412"	1511.006302	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+Cl"	34.969402
"1277633"	526.981702	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Cl"	34.969402
"15930"	1020.973206	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M-2H+K"	36.948606
"459752"	1512.985506	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M-2H+K"	36.948606
"838648"	528.960906	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-2H+K"	36.948606
"1563228"	528.960906	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+K-2H"	36.948606
"950019"	537.010494	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-H+HCOOH"	44.998194
"376260"	1029.022801	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+HCOOH-H"	44.998201
"360020"	1043.038451	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+Hac-H"	59.013851
"1507404"	551.026151	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Hac-H"	59.013851
"974062"	558.992451	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-H+NaCOOH"	66.980151
"124583"	526.981702	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+2Cl"	69.938804
"563896"	772.987852	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+2Cl"	69.938804
"1036468"	280.975552	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2Cl"	69.938804
"1249721"	570.931185	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Br"	78.918885
"1311072"	572.987172	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Cl+HCOOH"	80.974872
"1327478"	594.969129	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Cl+NaCOOH"	102.956829
"916348"	604.997886	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M-H+CF3COOH"	112.985586
"1293054"	640.974564	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Cl+CF3COOH"	148.962264
"1370124"	456.999624	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H-2H2O"	-35.012676
"1387620"	475.0096	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H-H2O"	-17.0027
"287306"	985.031876	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+H"	1.007276
"679728"	1477.044176	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+H"	1.007276
"1354985"	493.019576	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H"	1.007276
"132247"	493.019576	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+2H"	2.014552
"567799"	739.025726	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+2H"	2.014552
"1039151"	247.013426	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2H"	2.014552
"217630"	329.015476	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+3H"	3.021828
"650263"	493.019576	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+3H"	3.021828
"1168388"	165.011376	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+3H"	3.021828
"430567"	1002.058423	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+NH4"	18.033823
"787308"	1494.070723	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+NH4"	18.033823
"1683151"	510.046123	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+NH4"	18.033823
"331789"	501.5328495	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+H+NH4"	19.041099
"725308"	747.5389995	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+H+NH4"	19.041099
"1490808"	255.5266995	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H+NH4"	19.041099
"408234"	1007.013818	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+Na"	22.989218
"768663"	1499.026118	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+Na"	22.989218
"1613481"	515.001518	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Na"	22.989218
"327892"	504.010547	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+H+Na"	23.996494
"719220"	750.016697	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+H+Na"	23.996494
"1473041"	258.004397	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H+Na"	23.996494
"1064099"	172.33869	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2H+Na"	25.00377
"1269054"	525.045786	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+CH3OH+H"	33.033486
"387633"	1022.987758	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+K"	38.963158
"746443"	1515.000058	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+K"	38.963158
"1549589"	530.975458	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+K"	38.963158
"304579"	511.997517	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+H+K"	39.970434
"697000"	758.003667	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+H+K"	39.970434
"1454101"	265.991367	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H+K"	39.970434
"245981"	1026.058426	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+ACN+H"	42.033826
"1217596"	534.046126	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+ACN+H"	42.033826
"1201481"	267.526701	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+ACN+2H"	43.041102
"198725"	1028.99576	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+2Na-H"	44.97116
"640111"	1521.00806	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+2Na-H"	44.97116
"1142886"	536.98346	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2Na-H"	44.97116
"182894"	515.001518	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+2Na"	45.978436
"616987"	761.007668	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+2Na"	45.978436
"1117211"	268.995368	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2Na"	45.978436
"1406204"	179.666004	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H+2Na"	46.985712
"1435039"	539.025046	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H+HCOOH"	47.012746
"230204"	520.03454	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+3H2O+2H"	56.04448
"1516078"	553.07709	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+IsoProp+H"	61.06479
"415766"	522.988488	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+Na+K"	61.952376
"772386"	768.994638	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+Na+K"	61.952376
"1667620"	276.982338	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Na+K"	61.952376
"253169"	1048.040368	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+ACN+Na"	64.015768
"1237430"	556.028068	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+ACN+Na"	64.015768
"1727291"	556.051593	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+NH4+HCOOH"	64.039293
"1193494"	186.993318	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+3Na"	68.967654
"1663750"	561.006988	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Na+HCOOH"	68.994688
"166600"	1060.94364	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+2K-H"	76.91904
"606161"	1552.95594	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+2K-H"	76.91904
"1091764"	568.93134	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2K-H"	76.91904
"149678"	530.975458	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"2M+2K"	77.926316
"584136"	776.981608	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"3M+2K"	77.926316
"1074844"	284.969308	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2K"	77.926316
"1105868"	570.945892	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2K+H"	78.933592
"1341158"	571.033507	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+DMSO+H"	79.021207
"1012974"	575.072676	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2ACN+H"	83.060376
"1528909"	576.066308	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+IsoProp+Na+H"	84.054008
"996449"	288.039976	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+2ACN+2H"	84.067652
"1592048"	576.980928	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+K+HCOOH"	84.968628
"1419891"	607.012438	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+H+CF3COOH"	115.000138
"1147994"	308.553251	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+3ACN+2H"	125.094202
"1699730"	624.038985	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+NH4+CF3COOH"	132.026685
"1635747"	628.99438	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+Na+CF3COOH"	136.98208
"1573221"	644.96832	"C18875"	"Novaluron"	"C17H9ClF8N2O4"	"492.0123"	"M+K+CF3COOH"	152.95602
"812338"	527.969	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M"	0
"981497"	508.95061	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-H2O-H"	-19.01839
"73020"	350.972057333333	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M-3H"	-3.021828
"517970"	526.961724	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M-3H"	-3.021828
"888198"	174.982390666667	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-3H"	-3.021828
"4587"	526.961724	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M-2H"	-2.014552
"446334"	790.946224	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M-2H"	-2.014552
"823041"	262.977224	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-2H"	-2.014552
"83033"	1054.930724	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M-H"	-1.007276
"520409"	1582.899724	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M-H"	-1.007276
"897115"	526.961724	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-H"	-1.007276
"56964"	1071.957271	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M-2H+NH4"	16.019271
"497617"	1599.926271	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M-2H+NH4"	16.019271
"876513"	543.988271	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-2H+NH4"	16.019271
"32389"	1076.912666	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M-2H+Na"	20.974666
"476328"	1604.881666	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M-2H+Na"	20.974666
"853035"	548.943666	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-2H+Na"	20.974666
"1623661"	548.943666	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Na-2H"	20.974666
"106749"	544.950063	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M-H+Cl"	33.962126
"544122"	808.934563	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M-H+Cl"	33.962126
"936545"	280.965563	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-H+Cl"	33.962126
"277288"	1090.907402	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+Cl"	34.969402
"668615"	1618.876402	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+Cl"	34.969402
"1273729"	562.938402	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Cl"	34.969402
"16117"	1092.886606	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M-2H+K"	36.948606
"458769"	1620.855606	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M-2H+K"	36.948606
"838758"	564.917606	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-2H+K"	36.948606
"1560058"	564.917606	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+K-2H"	36.948606
"950129"	572.967194	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-H+HCOOH"	44.998194
"376991"	1100.936201	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+HCOOH-H"	44.998201
"360858"	1114.951851	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+Hac-H"	59.013851
"1507148"	586.982851	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Hac-H"	59.013851
"973808"	594.949151	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-H+NaCOOH"	66.980151
"124813"	562.938402	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+2Cl"	69.938804
"564005"	826.922902	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+2Cl"	69.938804
"1036818"	298.953902	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2Cl"	69.938804
"1251653"	606.887885	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Br"	78.918885
"1311182"	608.943872	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Cl+HCOOH"	80.974872
"1327588"	630.925829	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Cl+NaCOOH"	102.956829
"916459"	640.954586	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M-H+CF3COOH"	112.985586
"1292437"	676.931264	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Cl+CF3COOH"	148.962264
"1370599"	492.956324	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H-2H2O"	-35.012676
"1387730"	510.9663	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H-H2O"	-17.0027
"289604"	1056.945276	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+H"	1.007276
"680931"	1584.914276	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+H"	1.007276
"1354730"	528.976276	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H"	1.007276
"130534"	528.976276	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+2H"	2.014552
"567910"	792.960776	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+2H"	2.014552
"1038531"	264.991776	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2H"	2.014552
"217011"	352.986609333333	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+3H"	3.021828
"649280"	528.976276	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+3H"	3.021828
"1168498"	176.996942666667	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+3H"	3.021828
"431771"	1073.971823	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+NH4"	18.033823
"789484"	1601.940823	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+NH4"	18.033823
"1682289"	546.002823	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+NH4"	18.033823
"330199"	537.4895495	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+H+NH4"	19.041099
"724690"	801.4740495	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+H+NH4"	19.041099
"1489826"	273.5050495	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H+NH4"	19.041099
"406681"	1078.927218	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+Na"	22.989218
"767681"	1606.896218	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+Na"	22.989218
"1612498"	550.958218	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Na"	22.989218
"326909"	539.967247	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+H+Na"	23.996494
"719331"	803.951747	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+H+Na"	23.996494
"1472058"	275.982747	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H+Na"	23.996494
"1065304"	184.324256666667	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2H+Na"	25.00377
"1268070"	561.002486	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+CH3OH+H"	33.033486
"386648"	1094.901158	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+K"	38.963158
"747647"	1622.870158	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+K"	38.963158
"1549699"	566.932158	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+K"	38.963158
"306876"	547.954217	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+H+K"	39.970434
"698204"	811.938717	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+H+K"	39.970434
"1455303"	283.969717	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H+K"	39.970434
"243904"	1097.971826	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+ACN+H"	42.033826
"1214426"	570.002826	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+ACN+H"	42.033826
"1201591"	285.505051	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+ACN+2H"	43.041102
"197742"	1100.90916	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+2Na-H"	44.97116
"634021"	1628.87816	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+2Na-H"	44.97116
"1141903"	572.94016	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2Na-H"	44.97116
"178631"	550.958218	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+2Na"	45.978436
"617097"	814.942718	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+2Na"	45.978436
"1117685"	286.973718	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2Na"	45.978436
"1406314"	191.651570666667	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H+2Na"	46.985712
"1436242"	574.981746	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H+HCOOH"	47.012746
"229221"	555.99124	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+3H2O+2H"	56.04448
"1515095"	589.03379	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+IsoProp+H"	61.06479
"414783"	558.945188	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+Na+K"	61.952376
"772496"	822.929688	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+Na+K"	61.952376
"1667366"	294.960688	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Na+K"	61.952376
"254251"	1119.953768	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+ACN+Na"	64.015768
"1228420"	591.984768	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+ACN+Na"	64.015768
"1726915"	592.008293	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+NH4+HCOOH"	64.039293
"1192146"	198.978884666667	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+3Na"	68.967654
"1662402"	596.963688	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Na+HCOOH"	68.994688
"165617"	1132.85704	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+2K-H"	76.91904
"604084"	1660.82604	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+2K-H"	76.91904
"1091146"	604.88804	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2K-H"	76.91904
"149788"	566.932158	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"2M+2K"	77.926316
"584609"	830.916658	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"3M+2K"	77.926316
"1072401"	302.947658	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2K"	77.926316
"1104885"	606.902592	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2K+H"	78.933592
"1341268"	606.990207	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+DMSO+H"	79.021207
"1013084"	611.029376	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2ACN+H"	83.060376
"1530112"	612.023008	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+IsoProp+Na+H"	84.054008
"996559"	306.018326	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+2ACN+2H"	84.067652
"1593250"	612.937628	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+K+HCOOH"	84.968628
"1418908"	642.969138	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+H+CF3COOH"	115.000138
"1148104"	326.531601	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+3ACN+2H"	125.094202
"1700936"	659.995685	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+NH4+CF3COOH"	132.026685
"1636586"	664.95108	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+Na+CF3COOH"	136.98208
"1573331"	680.92502	"C18876"	"Noviflumuron"	"C17H7Cl2F9N2O3"	"527.969"	"M+K+CF3COOH"	152.95602
"811355"	346.0947	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M"	0
"981607"	327.07631	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-H2O-H"	-19.01839
"72037"	229.722524	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M-3H"	-3.021828
"517066"	345.087424	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M-3H"	-3.021828
"887215"	114.357624	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-3H"	-3.021828
"5790"	345.087424	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M-2H"	-2.014552
"446444"	518.134774	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M-2H"	-2.014552
"829711"	172.040074	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-2H"	-2.014552
"85330"	691.182124	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M-H"	-1.007276
"528173"	1037.276824	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M-H"	-1.007276
"905974"	345.087424	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-H"	-1.007276
"57074"	708.208671	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M-2H+NH4"	16.019271
"499914"	1054.303371	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M-2H+NH4"	16.019271
"878568"	362.113971	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-2H+NH4"	16.019271
"31771"	713.164066	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M-2H+Na"	20.974666
"476438"	1059.258766	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M-2H+Na"	20.974666
"853145"	367.069366	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-2H+Na"	20.974666
"1623771"	367.069366	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Na-2H"	20.974666
"108319"	363.075763	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M-H+Cl"	33.962126
"545325"	536.123113	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M-H+Cl"	33.962126
"937750"	190.028413	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-H+Cl"	33.962126
"278492"	727.158802	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+Cl"	34.969402
"672007"	1073.253502	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+Cl"	34.969402
"1280035"	381.064102	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Cl"	34.969402
"16235"	729.138006	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M-2H+K"	36.948606
"461066"	1075.232706	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M-2H+K"	36.948606
"838868"	383.043306	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-2H+K"	36.948606
"1560168"	383.043306	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+K-2H"	36.948606
"950239"	391.092894	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-H+HCOOH"	44.998194
"376477"	737.187601	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+HCOOH-H"	44.998201
"359997"	751.203251	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+Hac-H"	59.013851
"1507258"	405.108551	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Hac-H"	59.013851
"973626"	413.074851	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-H+NaCOOH"	66.980151
"124924"	381.064102	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+2Cl"	69.938804
"563023"	554.111452	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+2Cl"	69.938804
"1036809"	208.016752	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2Cl"	69.938804
"1249940"	425.013585	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Br"	78.918885
"1310198"	427.069572	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Cl+HCOOH"	80.974872
"1323326"	449.051529	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Cl+NaCOOH"	102.956829
"915477"	459.080286	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M-H+CF3COOH"	112.985586
"1291454"	495.056964	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Cl+CF3COOH"	148.962264
"1371439"	311.082024	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H-2H2O"	-35.012676
"1388934"	329.092	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H-H2O"	-17.0027
"289714"	693.196676	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+H"	1.007276
"681041"	1039.291376	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+H"	1.007276
"1354840"	347.101976	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H"	1.007276
"129551"	347.101976	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+2H"	2.014552
"568751"	520.149326	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+2H"	2.014552
"1040830"	174.054626	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2H"	2.014552
"213475"	231.737076	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+3H"	3.021828
"648297"	347.101976	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+3H"	3.021828
"1165328"	116.372176	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+3H"	3.021828
"429694"	710.223223	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+NH4"	18.033823
"788501"	1056.317923	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+NH4"	18.033823
"1682642"	364.128523	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+NH4"	18.033823
"331283"	355.6152495	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+H+NH4"	19.041099
"725893"	528.6625995	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+H+NH4"	19.041099
"1489205"	182.5678995	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H+NH4"	19.041099
"405336"	715.178618	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+Na"	22.989218
"765605"	1061.273318	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+Na"	22.989218
"1615889"	369.083918	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Na"	22.989218
"328113"	358.092947	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+H+Na"	23.996494
"719441"	531.140297	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+H+Na"	23.996494
"1473264"	185.045597	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H+Na"	23.996494
"1065414"	123.69949	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2H+Na"	25.00377
"1265994"	379.128186	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+CH3OH+H"	33.033486
"388945"	731.152558	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+K"	38.963158
"752131"	1077.247258	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+K"	38.963158
"1551996"	385.057858	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+K"	38.963158
"305893"	366.079917	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+H+K"	39.970434
"696126"	539.127267	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+H+K"	39.970434
"1454319"	193.032567	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H+K"	39.970434
"244014"	734.223226	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+ACN+H"	42.033826
"1213442"	388.128526	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+ACN+H"	42.033826
"1197327"	194.567901	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+ACN+2H"	43.041102
"192383"	737.16056	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+2Na-H"	44.97116
"634131"	1083.25526	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+2Na-H"	44.97116
"1134356"	391.06586	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2Na-H"	44.97116
"178741"	369.083918	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+2Na"	45.978436
"617207"	542.131268	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+2Na"	45.978436
"1117431"	196.036568	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2Na"	45.978436
"1399005"	131.026804	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H+2Na"	46.985712
"1431237"	393.107446	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H+HCOOH"	47.012746
"227141"	374.11694	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+3H2O+2H"	56.04448
"1515205"	407.15949	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+IsoProp+H"	61.06479
"414893"	377.070888	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+Na+K"	61.952376
"772970"	550.118238	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+Na+K"	61.952376
"1666748"	204.023538	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Na+K"	61.952376
"254727"	756.205168	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+ACN+Na"	64.015768
"1228162"	410.110468	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+ACN+Na"	64.015768
"1721433"	410.133993	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+NH4+HCOOH"	64.039293
"1184599"	138.354118	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+3Na"	68.967654
"1658865"	415.089388	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Na+HCOOH"	68.994688
"163539"	769.10844	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+2K-H"	76.91904
"603100"	1115.20314	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+2K-H"	76.91904
"1090894"	423.01374	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2K-H"	76.91904
"142970"	385.057858	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"2M+2K"	77.926316
"581679"	558.105208	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"3M+2K"	77.926316
"1068618"	212.010508	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2K"	77.926316
"1106088"	425.028292	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2K+H"	78.933592
"1338462"	425.115907	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+DMSO+H"	79.021207
"1013194"	429.155076	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2ACN+H"	83.060376
"1526943"	430.148708	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+IsoProp+Na+H"	84.054008
"993389"	215.081176	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+2ACN+2H"	84.067652
"1592267"	431.063328	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+K+HCOOH"	84.968628
"1415737"	461.094838	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+H+CF3COOH"	115.000138
"1150400"	235.594451	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+3ACN+2H"	125.094202
"1701046"	478.121385	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+NH4+CF3COOH"	132.026685
"1638882"	483.07678	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+Na+CF3COOH"	136.98208
"1574535"	499.05072	"C18877"	"Oryzalin"	"C12H18N4O6S"	"346.0947"	"M+K+CF3COOH"	152.95602
"812558"	232.0848	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M"	0
"987185"	213.06641	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-H2O-H"	-19.01839
"76157"	153.715924	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M-3H"	-3.021828
"517667"	231.077524	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M-3H"	-3.021828
"890608"	76.354324	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-3H"	-3.021828
"8087"	231.077524	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M-2H"	-2.014552
"447647"	347.119924	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M-2H"	-2.014552
"829821"	115.035124	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-2H"	-2.014552
"88720"	463.162324	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M-H"	-1.007276
"530469"	695.247124	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M-H"	-1.007276
"907177"	231.077524	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-H"	-1.007276
"59371"	480.188871	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M-2H+NH4"	16.019271
"496742"	712.273671	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M-2H+NH4"	16.019271
"876733"	248.104071	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-2H+NH4"	16.019271
"39168"	485.144266	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M-2H+Na"	20.974666
"482010"	717.229066	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M-2H+Na"	20.974666
"859811"	253.059466	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-2H+Na"	20.974666
"1622783"	253.059466	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Na-2H"	20.974666
"103687"	249.065863	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M-H+Cl"	33.962126
"547623"	365.108263	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M-H+Cl"	33.962126
"938951"	133.023463	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-H+Cl"	33.962126
"276413"	499.139002	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+Cl"	34.969402
"665555"	731.223802	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+Cl"	34.969402
"1274677"	267.054202	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Cl"	34.969402
"16426"	501.118206	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M-2H+K"	36.948606
"461176"	733.203006	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M-2H+K"	36.948606
"837885"	269.033406	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-2H+K"	36.948606
"1559184"	269.033406	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+K-2H"	36.948606
"948162"	277.082994	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-H+HCOOH"	44.998194
"375495"	509.167801	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+HCOOH-H"	44.998201
"358647"	523.183451	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+Hac-H"	59.013851
"1507854"	291.098651	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Hac-H"	59.013851
"974038"	299.064951	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-H+NaCOOH"	66.980151
"125401"	267.054202	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+2Cl"	69.938804
"565524"	383.096602	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+2Cl"	69.938804
"1035941"	151.011802	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2Cl"	69.938804
"1256778"	311.003685	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Br"	78.918885
"1309215"	313.059672	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Cl+HCOOH"	80.974872
"1323436"	335.041629	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Cl+NaCOOH"	102.956829
"913764"	345.070386	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M-H+CF3COOH"	112.985586
"1292292"	381.047064	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Cl+CF3COOH"	148.962264
"1371548"	197.072124	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H-2H2O"	-35.012676
"1391232"	215.0821	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H-H2O"	-17.0027
"289823"	465.176876	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+H"	1.007276
"681151"	697.261676	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+H"	1.007276
"1355314"	233.092076	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H"	1.007276
"131484"	233.092076	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+2H"	2.014552
"568861"	349.134476	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+2H"	2.014552
"1039115"	117.049676	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2H"	2.014552
"212492"	155.730476	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+3H"	3.021828
"649500"	233.092076	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+3H"	3.021828
"1164345"	78.368876	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+3H"	3.021828
"429804"	482.203423	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+NH4"	18.033823
"786666"	714.288223	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+NH4"	18.033823
"1682754"	250.118623	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+NH4"	18.033823
"333218"	241.6053495	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+H+NH4"	19.041099
"726002"	357.6477495	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+H+NH4"	19.041099
"1488221"	125.5629495	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H+NH4"	19.041099
"405810"	487.158818	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+Na"	22.989218
"765714"	719.243618	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+Na"	22.989218
"1615635"	255.074018	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Na"	22.989218
"323851"	244.083047	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+H+Na"	23.996494
"719551"	360.125447	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+H+Na"	23.996494
"1475923"	128.040647	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H+Na"	23.996494
"1067346"	85.69619	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2H+Na"	25.00377
"1266104"	265.118286	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+CH3OH+H"	33.033486
"391609"	503.132758	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+K"	38.963158
"743493"	735.217558	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+K"	38.963158
"1547731"	271.047958	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+K"	38.963158
"301628"	252.070017	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+H+K"	39.970434
"695143"	368.112417	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+H+K"	39.970434
"1451148"	136.027617	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H+K"	39.970434
"241936"	506.203426	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+ACN+H"	42.033826
"1215738"	274.118626	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+ACN+H"	42.033826
"1194879"	137.562951	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+ACN+2H"	43.041102
"189330"	509.14076	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+2Na-H"	44.97116
"629011"	741.22556	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+2Na-H"	44.97116
"1131826"	277.05596	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2Na-H"	44.97116
"173297"	255.074018	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+2Na"	45.978436
"617317"	371.116418	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+2Na"	45.978436
"1117541"	139.031618	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2Na"	45.978436
"1399119"	93.023504	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H+2Na"	46.985712
"1430054"	279.097546	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H+HCOOH"	47.012746
"227251"	260.10704	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+3H2O+2H"	56.04448
"1516408"	293.14959	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+IsoProp+H"	61.06479
"415003"	263.060988	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+Na+K"	61.952376
"774903"	379.103388	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+Na+K"	61.952376
"1666247"	147.018588	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Na+K"	61.952376
"254473"	528.185368	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+ACN+Na"	64.015768
"1227180"	296.100568	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+ACN+Na"	64.015768
"1716067"	296.124093	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+NH4+HCOOH"	64.039293
"1187985"	100.350818	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+3Na"	68.967654
"1657878"	301.079488	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Na+HCOOH"	68.994688
"170208"	541.08864	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+2K-H"	76.91904
"605397"	773.17344	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+2K-H"	76.91904
"1096471"	309.00384	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2K-H"	76.91904
"144539"	271.047958	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"2M+2K"	77.926316
"582153"	387.090358	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"3M+2K"	77.926316
"1070069"	155.005558	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2K"	77.926316
"1106198"	311.018392	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2K+H"	78.933592
"1340395"	311.106007	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+DMSO+H"	79.021207
"1012209"	315.145176	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2ACN+H"	83.060376
"1529239"	316.138808	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+IsoProp+Na+H"	84.054008
"994592"	158.076226	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+2ACN+2H"	84.067652
"1592378"	317.053428	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+K+HCOOH"	84.968628
"1414875"	347.084938	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+H+CF3COOH"	115.000138
"1151603"	178.589501	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+3ACN+2H"	125.094202
"1702250"	364.111485	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+NH4+CF3COOH"	132.026685
"1636806"	369.06688	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+Na+CF3COOH"	136.98208
"1574645"	385.04082	"C18878"	"Oxabetrinil"	"C12H12N2O3"	"232.0848"	"M+K+CF3COOH"	152.95602
"813761"	351.0195	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M"	0
"982920"	332.00111	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-H2O-H"	-19.01839
"71161"	233.005724	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M-3H"	-3.021828
"517284"	350.012224	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M-3H"	-3.021828
"894971"	115.999224	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-3H"	-3.021828
"7102"	350.012224	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M-2H"	-2.014552
"446663"	525.521974	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M-2H"	-2.014552
"827744"	174.502474	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-2H"	-2.014552
"87736"	701.031724	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M-H"	-1.007276
"527299"	1052.051224	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M-H"	-1.007276
"907286"	350.012224	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-H"	-1.007276
"57294"	718.058271	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M-2H+NH4"	16.019271
"490292"	1069.077771	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M-2H+NH4"	16.019271
"874655"	367.038771	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-2H+NH4"	16.019271
"38184"	723.013666	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M-2H+Na"	20.974666
"482120"	1074.033166	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M-2H+Na"	20.974666
"859921"	371.994166	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-2H+Na"	20.974666
"1625079"	371.994166	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Na-2H"	20.974666
"96504"	368.000563	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M-H+Cl"	33.962126
"538981"	543.510313	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M-H+Cl"	33.962126
"940153"	192.490813	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-H+Cl"	33.962126
"279802"	737.008402	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+Cl"	34.969402
"666759"	1088.027902	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+Cl"	34.969402
"1279160"	385.988902	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Cl"	34.969402
"17468"	738.987606	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M-2H+K"	36.948606
"463472"	1090.007106	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M-2H+K"	36.948606
"839088"	387.968106	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-2H+K"	36.948606
"1561480"	387.968106	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+K-2H"	36.948606
"951552"	396.017694	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-H+HCOOH"	44.998194
"375240"	747.037201	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+HCOOH-H"	44.998201
"358757"	761.052851	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+Hac-H"	59.013851
"1507235"	410.033351	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Hac-H"	59.013851
"972956"	417.999651	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-H+NaCOOH"	66.980151
"124296"	385.988902	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+2Cl"	69.938804
"564461"	561.498652	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+2Cl"	69.938804
"1036416"	210.479152	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2Cl"	69.938804
"1255267"	429.938385	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Br"	78.918885
"1309325"	431.994372	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Cl+HCOOH"	80.974872
"1325732"	453.976329	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Cl+NaCOOH"	102.956829
"916790"	464.005086	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M-H+CF3COOH"	112.985586
"1293496"	499.981764	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Cl+CF3COOH"	148.962264
"1373845"	316.006824	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H-2H2O"	-35.012676
"1392435"	334.0168	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H-H2O"	-17.0027
"289934"	703.046276	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+H"	1.007276
"680532"	1054.065776	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+H"	1.007276
"1355424"	352.026776	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H"	1.007276
"132687"	352.026776	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+2H"	2.014552
"572251"	527.536526	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+2H"	2.014552
"1040318"	176.517026	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2H"	2.014552
"205670"	235.020276	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+3H"	3.021828
"650703"	352.026776	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+3H"	3.021828
"1166641"	118.013776	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+3H"	3.021828
"425782"	720.072823	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+NH4"	18.033823
"787990"	1071.092323	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+NH4"	18.033823
"1683590"	369.053323	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+NH4"	18.033823
"331868"	360.5400495	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+H+NH4"	19.041099
"727936"	536.0497995	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+H+NH4"	19.041099
"1490151"	185.0302995	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H+NH4"	19.041099
"406647"	725.028218	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+Na"	22.989218
"762545"	1076.047718	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+Na"	22.989218
"1616231"	374.008718	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Na"	22.989218
"328334"	363.017747	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+H+Na"	23.996494
"721485"	538.527497	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+H+Na"	23.996494
"1474574"	187.507997	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H+Na"	23.996494
"1067215"	125.34109	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2H+Na"	25.00377
"1266214"	384.052986	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+CH3OH+H"	33.033486
"391232"	741.002158	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+K"	38.963158
"741779"	1092.021658	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+K"	38.963158
"1546748"	389.982658	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+K"	38.963158
"309393"	371.004717	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+H+K"	39.970434
"697439"	546.514467	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+H+K"	39.970434
"1450164"	195.494967	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H+K"	39.970434
"239129"	744.072826	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+ACN+H"	42.033826
"1212202"	393.053326	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+ACN+H"	42.033826
"1194989"	197.030301	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+ACN+2H"	43.041102
"190041"	747.01016	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+2Na-H"	44.97116
"628917"	1098.02966	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+2Na-H"	44.97116
"1131531"	395.99066	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2Na-H"	44.97116
"173735"	374.008718	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+2Na"	45.978436
"614147"	549.518468	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+2Na"	45.978436
"1116069"	198.498968	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2Na"	45.978436
"1399229"	132.668404	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H+2Na"	46.985712
"1430732"	398.032246	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H+HCOOH"	47.012746
"227361"	379.04174	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+3H2O+2H"	56.04448
"1513236"	412.08429	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+IsoProp+H"	61.06479
"416206"	381.995688	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+Na+K"	61.952376
"779386"	557.505438	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+Na+K"	61.952376
"1666604"	206.485938	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Na+K"	61.952376
"255676"	766.054768	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+ACN+Na"	64.015768
"1232756"	415.035268	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+ACN+Na"	64.015768
"1717270"	415.058793	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+NH4+HCOOH"	64.039293
"1182992"	139.995718	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+3Na"	68.967654
"1655800"	420.014188	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Na+HCOOH"	68.994688
"164848"	778.95804	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+2K-H"	76.91904
"606600"	1129.97754	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+2K-H"	76.91904
"1093299"	427.93854	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2K-H"	76.91904
"143189"	389.982658	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"2M+2K"	77.926316
"582020"	565.492408	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"3M+2K"	77.926316
"1070541"	214.472908	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2K"	77.926316
"1106308"	429.953092	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2K+H"	78.933592
"1341598"	430.040707	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+DMSO+H"	79.021207
"1010132"	434.079876	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2ACN+H"	83.060376
"1530442"	435.073508	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+IsoProp+Na+H"	84.054008
"996889"	217.543576	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+2ACN+2H"	84.067652
"1593581"	435.988128	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+K+HCOOH"	84.968628
"1415958"	466.019638	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+H+CF3COOH"	115.000138
"1150621"	238.056851	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+3ACN+2H"	125.094202
"1702360"	483.046185	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+NH4+CF3COOH"	132.026685
"1639103"	488.00158	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+Na+CF3COOH"	136.98208
"1573661"	503.97552	"C18879"	"Oxine-copper;Copper 8-hydroxyquinoline"	"(C9H6NO)2Cu"	"351.0195"	"M+K+CF3COOH"	152.95602
"812778"	338.2093	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M"	0
"985217"	319.19091	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-H2O-H"	-19.01839
"73460"	224.465590666667	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M-3H"	-3.021828
"516301"	337.202024	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M-3H"	-3.021828
"894837"	111.729157333333	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-3H"	-3.021828
"6119"	337.202024	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M-2H"	-2.014552
"446774"	506.306674	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M-2H"	-2.014552
"826761"	168.097374	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-2H"	-2.014552
"88940"	675.411324	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M-H"	-1.007276
"527409"	1013.620624	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M-H"	-1.007276
"904116"	337.202024	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-H"	-1.007276
"56311"	692.437871	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M-2H+NH4"	16.019271
"490402"	1030.647171	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M-2H+NH4"	16.019271
"874765"	354.228571	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-2H+NH4"	16.019271
"37201"	697.393266	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M-2H+Na"	20.974666
"482230"	1035.602566	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M-2H+Na"	20.974666
"860031"	359.183966	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-2H+Na"	20.974666
"1626282"	359.183966	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Na-2H"	20.974666
"102810"	355.190363	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M-H+Cl"	33.962126
"540184"	524.295013	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M-H+Cl"	33.962126
"939171"	186.085713	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-H+Cl"	33.962126
"278819"	711.388002	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+Cl"	34.969402
"670148"	1049.597302	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+Cl"	34.969402
"1284373"	373.178702	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Cl"	34.969402
"19644"	713.367206	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M-2H+K"	36.948606
"462489"	1051.576506	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M-2H+K"	36.948606
"838105"	375.157906	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-2H+K"	36.948606
"1559405"	375.157906	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+K-2H"	36.948606
"951662"	383.207494	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-H+HCOOH"	44.998194
"376691"	721.416801	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+HCOOH-H"	44.998201
"357410"	735.432451	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+Hac-H"	59.013851
"1506975"	397.223151	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Hac-H"	59.013851
"974132"	405.189451	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-H+NaCOOH"	66.980151
"125516"	373.178702	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+2Cl"	69.938804
"565299"	542.283352	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+2Cl"	69.938804
"1036162"	204.074052	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2Cl"	69.938804
"1255986"	417.128185	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Br"	78.918885
"1317092"	419.184172	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Cl+HCOOH"	80.974872
"1331304"	441.166129	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Cl+NaCOOH"	102.956829
"921274"	451.194886	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M-H+CF3COOH"	112.985586
"1296887"	487.171564	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Cl+CF3COOH"	148.962264
"1380153"	303.196624	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H-2H2O"	-35.012676
"1396556"	321.2066	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H-H2O"	-17.0027
"294784"	677.425876	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+H"	1.007276
"689755"	1015.635176	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+H"	1.007276
"1364283"	339.216576	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H"	1.007276
"138631"	339.216576	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+2H"	2.014552
"572359"	508.321226	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+2H"	2.014552
"1039699"	170.111926	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2H"	2.014552
"211248"	226.480142666667	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+3H"	3.021828
"649720"	339.216576	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+3H"	3.021828
"1165658"	113.743709333333	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+3H"	3.021828
"424431"	694.452423	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+NH4"	18.033823
"787737"	1032.661723	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+NH4"	18.033823
"1687347"	356.243123	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+NH4"	18.033823
"333437"	347.7298495	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+H+NH4"	19.041099
"728046"	516.8344995	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+H+NH4"	19.041099
"1490625"	178.6251995	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H+NH4"	19.041099
"408380"	699.407818	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+Na"	22.989218
"766664"	1037.617118	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+Na"	22.989218
"1618164"	361.198518	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Na"	22.989218
"329540"	350.207547	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+H+Na"	23.996494
"722691"	519.312197	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+H+Na"	23.996494
"1476631"	181.102897	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H+Na"	23.996494
"1068444"	121.071023333333	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2H+Na"	25.00377
"1266324"	371.242786	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+CH3OH+H"	33.033486
"392314"	715.381758	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+K"	38.963158
"750274"	1053.591058	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+K"	38.963158
"1550138"	377.172458	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+K"	38.963158
"306223"	358.194517	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+H+K"	39.970434
"700828"	527.299167	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+H+K"	39.970434
"1452461"	189.089867	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H+K"	39.970434
"243249"	718.452426	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+ACN+H"	42.033826
"1217051"	380.243126	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+ACN+H"	42.033826
"1194734"	190.625201	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+ACN+2H"	43.041102
"191614"	721.38976	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+2Na-H"	44.97116
"631175"	1059.59906	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+2Na-H"	44.97116
"1131721"	383.18046	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2Na-H"	44.97116
"176881"	361.198518	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+2Na"	45.978436
"614499"	530.303168	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+2Na"	45.978436
"1116909"	192.093868	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2Na"	45.978436
"1402377"	128.398337333333	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H+2Na"	46.985712
"1430965"	385.222046	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H+HCOOH"	47.012746
"228565"	366.23154	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+3H2O+2H"	56.04448
"1513346"	399.27409	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+IsoProp+H"	61.06479
"416316"	369.185488	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+Na+K"	61.952376
"778403"	538.290138	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+Na+K"	61.952376
"1667807"	200.080838	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Na+K"	61.952376
"255786"	740.434368	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+ACN+Na"	64.015768
"1232867"	402.225068	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+ACN+Na"	64.015768
"1718474"	402.248593	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+NH4+HCOOH"	64.039293
"1186018"	135.725651333333	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+3Na"	68.967654
"1658097"	407.203988	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Na+HCOOH"	68.994688
"163863"	753.33764	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+2K-H"	76.91904
"604523"	1091.54694	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+2K-H"	76.91904
"1091222"	415.12834	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2K-H"	76.91904
"146947"	377.172458	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"2M+2K"	77.926316
"582862"	546.277108	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"3M+2K"	77.926316
"1071019"	208.067808	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2K"	77.926316
"1106419"	417.142892	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2K+H"	78.933592
"1341710"	417.230507	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+DMSO+H"	79.021207
"1013521"	421.269676	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2ACN+H"	83.060376
"1528365"	422.263308	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+IsoProp+Na+H"	84.054008
"995906"	211.138476	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+2ACN+2H"	84.067652
"1593690"	423.177928	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+K+HCOOH"	84.968628
"1415339"	453.209438	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+H+CF3COOH"	115.000138
"1149636"	231.651751	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+3ACN+2H"	125.094202
"1701377"	470.235985	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+NH4+CF3COOH"	132.026685
"1634595"	475.19138	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+Na+CF3COOH"	136.98208
"1573771"	491.16532	"C18880"	"Piperonyl butoxide"	"C19H30O5"	"338.2093"	"M+K+CF3COOH"	152.95602
"813981"	361.0329	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M"	0
"985327"	342.01451	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-H2O-H"	-19.01839
"78191"	239.681324	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M-3H"	-3.021828
"517832"	360.025624	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M-3H"	-3.021828
"895440"	119.337024	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-3H"	-3.021828
"15593"	360.025624	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M-2H"	-2.014552
"455394"	540.542074	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M-2H"	-2.014552
"827971"	179.509174	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-2H"	-2.014552
"93795"	721.058524	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M-H"	-1.007276
"532984"	1082.091424	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M-H"	-1.007276
"906411"	360.025624	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-H"	-1.007276
"56421"	738.085071	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M-2H+NH4"	16.019271
"489781"	1099.117971	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M-2H+NH4"	16.019271
"871595"	377.052171	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-2H+NH4"	16.019271
"37311"	743.040466	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M-2H+Na"	20.974666
"482340"	1104.073366	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M-2H+Na"	20.974666
"859048"	382.007566	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-2H+Na"	20.974666
"1626392"	382.007566	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Na-2H"	20.974666
"99639"	378.013963	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M-H+Cl"	33.962126
"538108"	558.530413	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M-H+Cl"	33.962126
"940374"	197.497513	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-H+Cl"	33.962126
"278929"	757.035202	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+Cl"	34.969402
"672445"	1118.068102	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+Cl"	34.969402
"1284847"	396.002302	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Cl"	34.969402
"18660"	759.014406	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M-2H+K"	36.948606
"464786"	1120.047306	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M-2H+K"	36.948606
"839308"	397.981506	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-2H+K"	36.948606
"1559879"	397.981506	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+K-2H"	36.948606
"951772"	406.031094	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-H+HCOOH"	44.998194
"374000"	767.064001	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+HCOOH-H"	44.998201
"357520"	781.079651	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+Hac-H"	59.013851
"1501610"	420.046751	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Hac-H"	59.013851
"972084"	428.013051	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-H+NaCOOH"	66.980151
"123906"	396.002302	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+2Cl"	69.938804
"564554"	576.518752	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+2Cl"	69.938804
"1033714"	215.485852	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2Cl"	69.938804
"1254752"	439.951785	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Br"	78.918885
"1318297"	442.007772	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Cl+HCOOH"	80.974872
"1332508"	463.989729	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Cl+NaCOOH"	102.956829
"924294"	474.018486	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M-H+CF3COOH"	112.985586
"1295902"	509.995164	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Cl+CF3COOH"	148.962264
"1377345"	326.020224	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H-2H2O"	-35.012676
"1394842"	344.0302	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H-H2O"	-17.0027
"294528"	723.073076	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+H"	1.007276
"691168"	1084.105976	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+H"	1.007276
"1358924"	362.040176	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H"	1.007276
"138741"	362.040176	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+2H"	2.014552
"571376"	542.556626	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+2H"	2.014552
"1041268"	181.523726	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2H"	2.014552
"214274"	241.695876	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+3H"	3.021828
"645452"	362.040176	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+3H"	3.021828
"1165034"	121.351576	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+3H"	3.021828
"432316"	740.099623	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+NH4"	18.033823
"792219"	1101.132523	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+NH4"	18.033823
"1688549"	379.066723	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+NH4"	18.033823
"334639"	370.5534495	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+H+NH4"	19.041099
"725235"	551.0698995	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+H+NH4"	19.041099
"1486361"	190.0369995	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H+NH4"	19.041099
"408412"	745.055018	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+Na"	22.989218
"767137"	1106.087918	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+Na"	22.989218
"1618111"	384.022118	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Na"	22.989218
"329838"	373.031147	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+H+Na"	23.996494
"722782"	553.547597	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+H+Na"	23.996494
"1476495"	192.514697	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H+Na"	23.996494
"1066579"	128.67889	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2H+Na"	25.00377
"1266434"	394.066386	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+CH3OH+H"	33.033486
"391817"	761.028958	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+K"	38.963158
"749290"	1122.061858	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+K"	38.963158
"1552434"	399.996058	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+K"	38.963158
"311800"	381.018117	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+H+K"	39.970434
"700940"	561.534567	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+H+K"	39.970434
"1456945"	200.501667	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H+K"	39.970434
"244453"	764.099626	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+ACN+H"	42.033826
"1218255"	403.066726	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+ACN+H"	42.033826
"1197762"	202.037001	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+ACN+2H"	43.041102
"196098"	767.03696	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+2Na-H"	44.97116
"640033"	1128.06986	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+2Na-H"	44.97116
"1132116"	406.00406	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2Na-H"	44.97116
"176991"	384.022118	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+2Na"	45.978436
"614730"	564.538568	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+2Na"	45.978436
"1117992"	203.505668	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2Na"	45.978436
"1404673"	136.006204	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H+2Na"	46.985712
"1434601"	408.045646	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H+HCOOH"	47.012746
"229768"	389.05514	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+3H2O+2H"	56.04448
"1516736"	422.09769	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+IsoProp+H"	61.06479
"420799"	392.009088	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+Na+K"	61.952376
"778513"	572.525538	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+Na+K"	61.952376
"1672656"	211.492638	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Na+K"	61.952376
"260270"	786.081568	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+ACN+Na"	64.015768
"1238443"	425.048668	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+ACN+Na"	64.015768
"1722958"	425.072193	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+NH4+HCOOH"	64.039293
"1191595"	143.333518	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+3Na"	68.967654
"1661487"	430.027588	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Na+HCOOH"	68.994688
"165066"	798.98484	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+2K-H"	76.91904
"605727"	1160.01774	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+2K-H"	76.91904
"1094612"	437.95194	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2K-H"	76.91904
"150336"	399.996058	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"2M+2K"	77.926316
"585888"	580.512508	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"3M+2K"	77.926316
"1071495"	219.479608	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2K"	77.926316
"1106528"	439.966492	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2K+H"	78.933592
"1345100"	440.054107	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+DMSO+H"	79.021207
"1012535"	444.093276	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2ACN+H"	83.060376
"1529568"	445.086908	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+IsoProp+Na+H"	84.054008
"992369"	222.550276	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+2ACN+2H"	84.067652
"1591612"	446.001528	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+K+HCOOH"	84.968628
"1418362"	476.033038	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+H+CF3COOH"	115.000138
"1148651"	243.063551	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+3ACN+2H"	125.094202
"1700393"	493.059585	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+NH4+CF3COOH"	132.026685
"1640418"	498.01498	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+Na+CF3COOH"	136.98208
"1573881"	513.98892	"C18881"	"Oxyfluorfen"	"C15H11ClF3NO4"	"361.0329"	"M+K+CF3COOH"	152.95602
"811905"	239.1077	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M"	0
"984344"	220.08931	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-H2O-H"	-19.01839
"74410"	158.397857333333	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M-3H"	-3.021828
"517131"	238.100424	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M-3H"	-3.021828
"892137"	78.6952906666667	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-3H"	-3.021828
"12902"	238.100424	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M-2H"	-2.014552
"452465"	357.654274	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M-2H"	-2.014552
"828079"	118.546574	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-2H"	-2.014552
"91717"	477.208124	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M-H"	-1.007276
"529814"	716.315824	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M-H"	-1.007276
"906521"	238.100424	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-H"	-1.007276
"48144"	494.234671	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M-2H+NH4"	16.019271
"489524"	733.342371	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M-2H+NH4"	16.019271
"867327"	255.126971	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-2H+NH4"	16.019271
"40693"	499.190066	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M-2H+Na"	20.974666
"473333"	738.297766	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M-2H+Na"	20.974666
"860251"	260.082366	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-2H+Na"	20.974666
"1624315"	260.082366	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Na-2H"	20.974666
"97197"	256.088763	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M-H+Cl"	33.962126
"541497"	375.642613	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M-H+Cl"	33.962126
"939391"	136.534913	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-H+Cl"	33.962126
"277946"	513.184802	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+Cl"	34.969402
"672556"	752.292502	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+Cl"	34.969402
"1284957"	274.077102	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Cl"	34.969402
"18771"	515.164006	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M-2H+K"	36.948606
"461615"	754.271706	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M-2H+K"	36.948606
"838324"	276.056306	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-2H+K"	36.948606
"1561811"	276.056306	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+K-2H"	36.948606
"951882"	284.105894	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-H+HCOOH"	44.998194
"372287"	523.213601	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+HCOOH-H"	44.998201
"357267"	537.229251	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+Hac-H"	59.013851
"1498440"	298.121551	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Hac-H"	59.013851
"971467"	306.087851	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-H+NaCOOH"	66.980151
"124379"	274.077102	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+2Cl"	69.938804
"563205"	393.630952	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+2Cl"	69.938804
"1030908"	154.523252	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2Cl"	69.938804
"1253767"	318.026585	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Br"	78.918885
"1317308"	320.082572	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Cl+HCOOH"	80.974872
"1331524"	342.064529	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Cl+NaCOOH"	102.956829
"920394"	352.093286	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M-H+CF3COOH"	112.985586
"1297109"	388.069964	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Cl+CF3COOH"	148.962264
"1375269"	204.095024	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H-2H2O"	-35.012676
"1389485"	222.105	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H-H2O"	-17.0027
"289172"	479.222676	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+H"	1.007276
"684509"	718.330376	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+H"	1.007276
"1357942"	240.114976	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H"	1.007276
"130829"	240.114976	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+2H"	2.014552
"570393"	359.668826	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+2H"	2.014552
"1039556"	120.561126	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2H"	2.014552
"209282"	160.412409333333	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+3H"	3.021828
"644831"	240.114976	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+3H"	3.021828
"1163686"	80.7098426666667	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+3H"	3.021828
"428051"	496.249223	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+NH4"	18.033823
"787588"	735.356923	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+NH4"	18.033823
"1686472"	257.141523	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+NH4"	18.033823
"332926"	248.6282495	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+H+NH4"	19.041099
"724252"	368.1820995	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+H+NH4"	19.041099
"1485378"	129.0743995	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H+NH4"	19.041099
"397860"	501.204618	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+Na"	22.989218
"768339"	740.312318	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+Na"	22.989218
"1616804"	262.096918	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Na"	22.989218
"328663"	251.105947	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+H+Na"	23.996494
"722057"	370.659797	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+H+Na"	23.996494
"1476162"	131.552097	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H+Na"	23.996494
"1067053"	88.0371566666667	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2H+Na"	25.00377
"1266544"	272.141186	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+CH3OH+H"	33.033486
"389494"	517.178558	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+K"	38.963158
"749400"	756.286258	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+K"	38.963158
"1550358"	278.070858	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+K"	38.963158
"307538"	259.092917	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+H+K"	39.970434
"699958"	378.646767	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+H+K"	39.970434
"1455963"	139.539067	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H+K"	39.970434
"242377"	520.249226	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+ACN+H"	42.033826
"1217272"	281.141526	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+ACN+H"	42.033826
"1194835"	141.074401	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+ACN+2H"	43.041102
"194022"	523.18656	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+2Na-H"	44.97116
"636863"	762.29426	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+2Na-H"	44.97116
"1131437"	284.07886	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2Na-H"	44.97116
"174913"	262.096918	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+2Na"	45.978436
"615569"	381.650768	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+2Na"	45.978436
"1117008"	142.543068	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2Na"	45.978436
"1403690"	95.3644706666667	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H+2Na"	46.985712
"1432525"	286.120446	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H+HCOOH"	47.012746
"229878"	267.12994	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+3H2O+2H"	56.04448
"1516846"	300.17249	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+IsoProp+H"	61.06479
"419814"	270.083888	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+Na+K"	61.952376
"778623"	389.637738	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+Na+K"	61.952376
"1671673"	150.530038	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Na+K"	61.952376
"262566"	542.231168	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+ACN+Na"	64.015768
"1236367"	303.123468	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+ACN+Na"	64.015768
"1723067"	303.146993	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+NH4+HCOOH"	64.039293
"1187332"	102.691784666667	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+3Na"	68.967654
"1658316"	308.102388	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Na+HCOOH"	68.994688
"164082"	555.13444	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+2K-H"	76.91904
"605837"	794.24214	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+2K-H"	76.91904
"1091442"	316.02674	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2K-H"	76.91904
"146073"	278.070858	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"2M+2K"	77.926316
"584540"	397.624708	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"3M+2K"	77.926316
"1071240"	158.517008	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2K"	77.926316
"1106638"	318.041292	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2K+H"	78.933592
"1345210"	318.128907	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+DMSO+H"	79.021207
"1009365"	322.168076	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2ACN+H"	83.060376
"1528584"	323.161708	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+IsoProp+Na+H"	84.054008
"991748"	161.587676	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+2ACN+2H"	84.067652
"1589535"	324.076328	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+K+HCOOH"	84.968628
"1415921"	354.107838	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+H+CF3COOH"	115.000138
"1147425"	182.100951	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+3ACN+2H"	125.094202
"1699409"	371.134385	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+NH4+CF3COOH"	132.026685
"1639434"	376.08978	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+Na+CF3COOH"	136.98208
"1571681"	392.06372	"C18882"	"Pentanochlor"	"C13H18ClNO"	"239.1077"	"M+K+CF3COOH"	152.95602
"812015"	454.0206	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M"	0
"983361"	435.00221	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-H2O-H"	-19.01839
"75613"	301.673124	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M-3H"	-3.021828
"516997"	453.013324	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M-3H"	-3.021828
"892247"	150.332924	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-3H"	-3.021828
"10823"	453.013324	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M-2H"	-2.014552
"451481"	680.023624	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M-2H"	-2.014552
"824909"	226.003024	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-2H"	-2.014552
"87087"	907.033924	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M-H"	-1.007276
"523363"	1361.054524	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M-H"	-1.007276
"901164"	453.013324	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-H"	-1.007276
"48253"	924.060471	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M-2H+NH4"	16.019271
"490727"	1378.081071	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M-2H+NH4"	16.019271
"867437"	470.039871	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-2H+NH4"	16.019271
"38616"	929.015866	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M-2H+Na"	20.974666
"473808"	1383.036466	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M-2H+Na"	20.974666
"860361"	474.995266	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-2H+Na"	20.974666
"1624425"	474.995266	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Na-2H"	20.974666
"96579"	471.001663	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M-H+Cl"	33.962126
"540514"	698.011963	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M-H+Cl"	33.962126
"939501"	243.991363	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-H+Cl"	33.962126
"279150"	943.010602	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+Cl"	34.969402
"672666"	1397.031202	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+Cl"	34.969402
"1286161"	488.990002	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Cl"	34.969402
"18881"	944.989806	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M-2H+K"	36.948606
"458443"	1399.010406	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M-2H+K"	36.948606
"837337"	490.969206	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-2H+K"	36.948606
"1565200"	490.969206	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+K-2H"	36.948606
"953085"	499.018794	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-H+HCOOH"	44.998194
"371304"	953.039401	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+HCOOH-H"	44.998201
"357741"	967.055051	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+Hac-H"	59.013851
"1499643"	513.034451	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Hac-H"	59.013851
"973031"	521.000751	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-H+NaCOOH"	66.980151
"123759"	488.990002	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+2Cl"	69.938804
"564286"	716.000302	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+2Cl"	69.938804
"1031018"	261.979702	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2Cl"	69.938804
"1252782"	532.939485	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Br"	78.918885
"1317420"	534.995472	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Cl+HCOOH"	80.974872
"1328354"	556.977429	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Cl+NaCOOH"	102.956829
"920504"	567.006186	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M-H+CF3COOH"	112.985586
"1297219"	602.982864	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Cl+CF3COOH"	148.962264
"1375378"	419.007924	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H-2H2O"	-35.012676
"1386678"	437.0179	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H-H2O"	-17.0027
"287095"	909.048476	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+H"	1.007276
"684983"	1363.069076	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+H"	1.007276
"1359145"	455.027876	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H"	1.007276
"128389"	455.027876	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+2H"	2.014552
"571597"	682.038176	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+2H"	2.014552
"1039302"	228.017576	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2H"	2.014552
"209392"	303.687676	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+3H"	3.021828
"645670"	455.027876	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+3H"	3.021828
"1163063"	152.347476	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+3H"	3.021828
"427067"	926.075023	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+NH4"	18.033823
"790250"	1380.095623	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+NH4"	18.033823
"1683301"	472.054423	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+NH4"	18.033823
"331577"	463.5411495	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+H+NH4"	19.041099
"722935"	690.5514495	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+H+NH4"	19.041099
"1480382"	236.5308495	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H+NH4"	19.041099
"394322"	931.030418	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+Na"	22.989218
"768449"	1385.051018	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+Na"	22.989218
"1617154"	477.009818	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Na"	22.989218
"329623"	466.018847	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+H+Na"	23.996494
"722616"	693.029147	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+H+Na"	23.996494
"1476594"	239.008547	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H+Na"	23.996494
"1066921"	159.67479	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2H+Na"	25.00377
"1262279"	487.054086	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+CH3OH+H"	33.033486
"386324"	947.004358	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+K"	38.963158
"747323"	1401.024958	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+K"	38.963158
"1549373"	492.983758	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+K"	38.963158
"309829"	474.005817	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+H+K"	39.970434
"698973"	701.016117	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+H+K"	39.970434
"1453885"	246.995517	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H+K"	39.970434
"240299"	950.075026	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+ACN+H"	42.033826
"1212278"	496.054426	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+ACN+H"	42.033826
"1194697"	248.530851	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+ACN+2H"	43.041102
"190852"	953.01236	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+2Na-H"	44.97116
"629683"	1407.03296	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+2Na-H"	44.97116
"1135012"	498.99176	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2Na-H"	44.97116
"173078"	477.009818	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+2Na"	45.978436
"612881"	704.020118	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+2Na"	45.978436
"1116022"	249.999518	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2Na"	45.978436
"1398886"	167.002104	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H+2Na"	46.985712
"1430201"	501.033346	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H+HCOOH"	47.012746
"220504"	482.04284	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+3H2O+2H"	56.04448
"1510391"	515.08539	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+IsoProp+H"	61.06479
"417737"	484.996788	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+Na+K"	61.952376
"776546"	712.007088	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+Na+K"	61.952376
"1671782"	257.986488	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Na+K"	61.952376
"260488"	972.056968	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+ACN+Na"	64.015768
"1235384"	518.036368	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+ACN+Na"	64.015768
"1722083"	518.059893	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+NH4+HCOOH"	64.039293
"1187442"	174.329418	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+3Na"	68.967654
"1656603"	523.015288	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Na+HCOOH"	68.994688
"164555"	984.96024	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+2K-H"	76.91904
"604854"	1438.98084	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+2K-H"	76.91904
"1090459"	530.93964	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2K-H"	76.91904
"146183"	492.983758	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"2M+2K"	77.926316
"582096"	719.994058	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"3M+2K"	77.926316
"1072443"	265.973458	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2K"	77.926316
"1107841"	532.954192	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2K+H"	78.933592
"1345319"	533.041807	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+DMSO+H"	79.021207
"1009475"	537.080976	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2ACN+H"	83.060376
"1528694"	538.074608	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+IsoProp+Na+H"	84.054008
"991252"	269.044126	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+2ACN+2H"	84.067652
"1587213"	538.989228	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+K+HCOOH"	84.968628
"1415302"	569.020738	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+H+CF3COOH"	115.000138
"1147170"	289.557401	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+3ACN+2H"	125.094202
"1700612"	586.047285	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+NH4+CF3COOH"	132.026685
"1639544"	591.00268	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+Na+CF3COOH"	136.98208
"1572035"	606.97662	"C18883"	"Primisulfuron"	"C14H10F4N4O7S"	"454.0206"	"M+K+CF3COOH"	152.95602
"813218"	350.1202	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M"	0
"984564"	331.10181	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-H2O-H"	-19.01839
"76087"	232.406190666667	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M-3H"	-3.021828
"516743"	349.112924	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M-3H"	-3.021828
"893086"	115.699457333333	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-3H"	-3.021828
"12029"	349.112924	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M-2H"	-2.014552
"452685"	524.173024	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M-2H"	-2.014552
"827206"	174.052824	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-2H"	-2.014552
"90477"	699.233124	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M-H"	-1.007276
"527846"	1049.353324	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M-H"	-1.007276
"901274"	349.112924	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-H"	-1.007276
"50546"	716.259671	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M-2H+NH4"	16.019271
"491565"	1066.379871	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M-2H+NH4"	16.019271
"869367"	366.139471	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-2H+NH4"	16.019271
"38726"	721.215066	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M-2H+Na"	20.974666
"475011"	1071.335266	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M-2H+Na"	20.974666
"851718"	371.094866	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-2H+Na"	20.974666
"1619187"	371.094866	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Na-2H"	20.974666
"96318"	367.101263	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M-H+Cl"	33.962126
"535516"	542.161363	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M-H+Cl"	33.962126
"927734"	192.041163	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-H+Cl"	33.962126
"268317"	735.209802	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+Cl"	34.969402
"662930"	1085.330002	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+Cl"	34.969402
"1278613"	385.089602	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Cl"	34.969402
"24451"	737.189006	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M-2H+K"	36.948606
"465106"	1087.309206	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M-2H+K"	36.948606
"837442"	387.068806	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-2H+K"	36.948606
"1563122"	387.068806	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+K-2H"	36.948606
"955018"	395.118394	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-H+HCOOH"	44.998194
"371779"	745.238601	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+HCOOH-H"	44.998201
"357487"	759.254251	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+Hac-H"	59.013851
"1499752"	409.134051	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Hac-H"	59.013851
"972656"	417.100351	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-H+NaCOOH"	66.980151
"123869"	385.089602	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+2Cl"	69.938804
"563425"	560.149702	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+2Cl"	69.938804
"1032586"	210.029502	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2Cl"	69.938804
"1250705"	429.039085	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Br"	78.918885
"1315707"	431.095072	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Cl+HCOOH"	80.974872
"1331380"	453.077029	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Cl+NaCOOH"	102.956829
"921707"	463.105786	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M-H+CF3COOH"	112.985586
"1296228"	499.082464	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Cl+CF3COOH"	148.962264
"1376584"	315.107524	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H-2H2O"	-35.012676
"1389703"	333.1175	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H-H2O"	-17.0027
"289390"	701.247676	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+H"	1.007276
"684728"	1051.367876	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+H"	1.007276
"1359255"	351.127476	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H"	1.007276
"132143"	351.127476	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+2H"	2.014552
"569521"	526.187576	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+2H"	2.014552
"1040871"	176.067376	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2H"	2.014552
"209502"	234.420742666667	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+3H"	3.021828
"645780"	351.127476	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+3H"	3.021828
"1163412"	117.714009333333	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+3H"	3.021828
"429364"	718.274223	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+NH4"	18.033823
"792548"	1068.394423	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+NH4"	18.033823
"1684504"	368.154023	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+NH4"	18.033823
"330715"	359.6407495	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+H+NH4"	19.041099
"723496"	534.7008495	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+H+NH4"	19.041099
"1483408"	184.5806495	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H+NH4"	19.041099
"395525"	723.229618	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+Na"	22.989218
"767104"	1073.349818	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+Na"	22.989218
"1616657"	373.109418	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Na"	22.989218
"328763"	362.118447	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+H+Na"	23.996494
"722036"	537.178547	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+H+Na"	23.996494
"1475367"	187.058347	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H+Na"	23.996494
"1063993"	125.041323333333	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2H+Na"	25.00377
"1261296"	383.153686	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+CH3OH+H"	33.033486
"385340"	739.203558	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+K"	38.963158
"747433"	1089.323758	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+K"	38.963158
"1549484"	389.083358	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+K"	38.963158
"309939"	370.105417	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+H+K"	39.970434
"696893"	545.165517	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+H+K"	39.970434
"1453995"	195.045317	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H+K"	39.970434
"240409"	742.274226	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+ACN+H"	42.033826
"1211660"	392.154026	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+ACN+H"	42.033826
"1194562"	196.580651	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+ACN+2H"	43.041102
"192055"	745.21156	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+2Na-H"	44.97116
"635989"	1095.33176	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+2Na-H"	44.97116
"1136216"	395.09136	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2Na-H"	44.97116
"173672"	373.109418	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+2Na"	45.978436
"614327"	548.169518	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+2Na"	45.978436
"1117833"	198.049318	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2Na"	45.978436
"1398877"	132.368637333333	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H+2Na"	46.985712
"1430433"	397.132946	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H+HCOOH"	47.012746
"220976"	378.14244	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+3H2O+2H"	56.04448
"1511229"	411.18499	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+IsoProp+H"	61.06479
"415659"	381.096388	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+Na+K"	61.952376
"776656"	556.156488	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+Na+K"	61.952376
"1671892"	206.036288	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Na+K"	61.952376
"260598"	764.256168	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+ACN+Na"	64.015768
"1235494"	414.135968	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+ACN+Na"	64.015768
"1721100"	414.159493	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+NH4+HCOOH"	64.039293
"1189738"	139.695951333333	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+3Na"	68.967654
"1657442"	419.114888	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Na+HCOOH"	68.994688
"165395"	777.15944	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+2K-H"	76.91904
"604964"	1127.27964	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+2K-H"	76.91904
"1094942"	427.03924	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2K-H"	76.91904
"146293"	389.083358	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"2M+2K"	77.926316
"582573"	564.143458	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"3M+2K"	77.926316
"1071460"	214.023258	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2K"	77.926316
"1105764"	429.053792	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2K+H"	78.933592
"1342149"	429.141407	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+DMSO+H"	79.021207
"1009586"	433.180576	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2ACN+H"	83.060376
"1527711"	434.174208	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+IsoProp+Na+H"	84.054008
"991118"	217.093926	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+2ACN+2H"	84.067652
"1587567"	435.088828	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+K+HCOOH"	84.968628
"1416506"	465.120338	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+H+CF3COOH"	115.000138
"1147280"	237.607201	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+3ACN+2H"	125.094202
"1697804"	482.146885	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+NH4+CF3COOH"	132.026685
"1634550"	487.10228	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+Na+CF3COOH"	136.98208
"1571536"	503.07622	"C18884"	"Prodiamine"	"C13H17F3N4O4"	"350.1202"	"M+K+CF3COOH"	152.95602
"813328"	188.1525	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M"	0
"986860"	169.13411	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-H2O-H"	-19.01839
"75833"	124.427724	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M-3H"	-3.021828
"517220"	187.145224	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M-3H"	-3.021828
"893560"	61.710224	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-3H"	-3.021828
"12140"	187.145224	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M-2H"	-2.014552
"453888"	281.221474	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M-2H"	-2.014552
"826223"	93.068974	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-2H"	-2.014552
"91681"	375.297724	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M-H"	-1.007276
"531236"	563.450224	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M-H"	-1.007276
"908673"	187.145224	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-H"	-1.007276
"52481"	392.324271	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M-2H+NH4"	16.019271
"495322"	580.476771	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M-2H+NH4"	16.019271
"870936"	204.171771	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-2H+NH4"	16.019271
"36283"	397.279666	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M-2H+Na"	20.974666
"474028"	585.432166	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M-2H+Na"	20.974666
"852922"	209.127166	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-2H+Na"	20.974666
"1623549"	209.127166	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Na-2H"	20.974666
"96797"	205.133563	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M-H+Cl"	33.962126
"535628"	299.209813	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M-H+Cl"	33.962126
"928778"	111.057313	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-H+Cl"	33.962126
"269277"	411.274402	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+Cl"	34.969402
"668508"	599.426902	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+Cl"	34.969402
"1278724"	223.121902	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Cl"	34.969402
"22374"	413.253606	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M-2H+K"	36.948606
"465216"	601.406106	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M-2H+K"	36.948606
"837553"	225.101106	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-2H+K"	36.948606
"1566508"	225.101106	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+K-2H"	36.948606
"947832"	233.150694	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-H+HCOOH"	44.998194
"367140"	421.303201	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+HCOOH-H"	44.998201
"354305"	435.318851	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+Hac-H"	59.013851
"1498763"	247.166351	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Hac-H"	59.013851
"964117"	255.132651	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-H+NaCOOH"	66.980151
"118495"	223.121902	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+2Cl"	69.938804
"559150"	317.198152	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+2Cl"	69.938804
"1030868"	129.045652	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2Cl"	69.938804
"1252638"	267.071385	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Br"	78.918885
"1315451"	269.127372	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Cl+HCOOH"	80.974872
"1331490"	291.109329	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Cl+NaCOOH"	102.956829
"924370"	301.138086	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M-H+CF3COOH"	112.985586
"1299984"	337.114764	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Cl+CF3COOH"	148.962264
"1376694"	153.139824	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H-2H2O"	-35.012676
"1389814"	171.1498	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H-H2O"	-17.0027
"292417"	377.312276	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+H"	1.007276
"685202"	565.464776	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+H"	1.007276
"1360459"	189.159776	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H"	1.007276
"134076"	189.159776	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+2H"	2.014552
"569631"	283.236026	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+2H"	2.014552
"1042802"	95.083526	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2H"	2.014552
"208518"	126.442276	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+3H"	3.021828
"645890"	189.159776	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+3H"	3.021828
"1162846"	63.724776	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+3H"	3.021828
"432392"	394.338823	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+NH4"	18.033823
"792658"	582.491323	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+NH4"	18.033823
"1685708"	206.186323	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+NH4"	18.033823
"330826"	197.6730495	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+H+NH4"	19.041099
"723036"	291.7492995	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+H+NH4"	19.041099
"1483518"	103.5967995	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H+NH4"	19.041099
"397823"	399.294218	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+Na"	22.989218
"766483"	587.446718	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+Na"	22.989218
"1616039"	211.141718	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Na"	22.989218
"328022"	200.150747	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+H+Na"	23.996494
"721901"	294.226997	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+H+Na"	23.996494
"1474869"	106.074497	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H+Na"	23.996494
"1064103"	71.05209	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2H+Na"	25.00377
"1262499"	221.185986	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+CH3OH+H"	33.033486
"387636"	415.268158	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+K"	38.963158
"749365"	603.420658	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+K"	38.963158
"1552873"	227.115658	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+K"	38.963158
"308956"	208.137717	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+H+K"	39.970434
"699190"	302.213967	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+H+K"	39.970434
"1456292"	114.061467	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H+K"	39.970434
"240519"	418.338826	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+ACN+H"	42.033826
"1215414"	230.186326	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+ACN+H"	42.033826
"1196135"	115.596801	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+ACN+2H"	43.041102
"192166"	421.27616	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+2Na-H"	44.97116
"638286"	609.42866	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+2Na-H"	44.97116
"1143979"	233.12366	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2Na-H"	44.97116
"175243"	211.141718	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+2Na"	45.978436
"616990"	305.217968	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+2Na"	45.978436
"1119401"	117.065468	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2Na"	45.978436
"1399153"	78.379404	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H+2Na"	46.985712
"1435040"	235.165246	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H+HCOOH"	47.012746
"220356"	216.17474	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+3H2O+2H"	56.04448
"1509516"	249.21729	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+IsoProp+H"	61.06479
"415769"	219.128688	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+Na+K"	61.952376
"778588"	313.204938	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+Na+K"	61.952376
"1673825"	125.052438	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Na+K"	61.952376
"258522"	440.320768	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+ACN+Na"	64.015768
"1233420"	252.168268	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+ACN+Na"	64.015768
"1722669"	252.191793	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+NH4+HCOOH"	64.039293
"1189120"	85.706718	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+3Na"	68.967654
"1656460"	257.147188	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Na+HCOOH"	68.994688
"163683"	453.22404	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+2K-H"	76.91904
"606167"	641.37654	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+2K-H"	76.91904
"1095053"	265.07154	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2K-H"	76.91904
"146403"	227.115658	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"2M+2K"	77.926316
"584871"	321.191908	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"3M+2K"	77.926316
"1072664"	133.039408	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2K"	77.926316
"1102596"	267.086092	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2K+H"	78.933592
"1342260"	267.173707	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+DMSO+H"	79.021207
"1007873"	271.212876	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2ACN+H"	83.060376
"1526728"	272.206508	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+IsoProp+Na+H"	84.054008
"991104"	136.110076	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+2ACN+2H"	84.067652
"1590961"	273.121128	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+K+HCOOH"	84.968628
"1415764"	303.152638	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+H+CF3COOH"	115.000138
"1148364"	156.623351	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+3ACN+2H"	125.094202
"1698643"	320.179185	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+NH4+CF3COOH"	132.026685
"1634495"	325.13458	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+Na+CF3COOH"	136.98208
"1571401"	341.10852	"C18885"	"Propamocarb"	"C9H20N2O2"	"188.1525"	"M+K+CF3COOH"	152.95602
"813438"	443.1248	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M"	0
"983691"	424.10641	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-H2O-H"	-19.01839
"76307"	294.409257333333	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M-3H"	-3.021828
"517451"	442.117524	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M-3H"	-3.021828
"891483"	146.700990666667	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-3H"	-3.021828
"14434"	442.117524	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M-2H"	-2.014552
"449624"	663.679924	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M-2H"	-2.014552
"826333"	220.555124	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-2H"	-2.014552
"89605"	885.242324	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M-H"	-1.007276
"528066"	1328.367124	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M-H"	-1.007276
"905868"	442.117524	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-H"	-1.007276
"54778"	902.268871	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M-2H+NH4"	16.019271
"490329"	1345.393671	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M-2H+NH4"	16.019271
"871046"	459.144071	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-2H+NH4"	16.019271
"36029"	907.224266	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M-2H+Na"	20.974666
"475232"	1350.349066	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M-2H+Na"	20.974666
"853033"	464.099466	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-2H+Na"	20.974666
"1620380"	464.099466	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Na-2H"	20.974666
"95814"	460.105863	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M-H+Cl"	33.962126
"535738"	681.668263	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M-H+Cl"	33.962126
"928888"	238.543463	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-H+Cl"	33.962126
"268901"	921.219002	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+Cl"	34.969402
"666432"	1364.343802	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+Cl"	34.969402
"1278834"	478.094202	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Cl"	34.969402
"22484"	923.198206	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M-2H+K"	36.948606
"464232"	1366.323006	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M-2H+K"	36.948606
"836570"	480.073406	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-2H+K"	36.948606
"1560056"	480.073406	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+K-2H"	36.948606
"947940"	488.122994	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-H+HCOOH"	44.998194
"367250"	931.247801	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+HCOOH-H"	44.998201
"351135"	945.263451	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+Hac-H"	59.013851
"1498873"	502.138651	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Hac-H"	59.013851
"964227"	510.104951	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-H+NaCOOH"	66.980151
"118605"	478.094202	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+2Cl"	69.938804
"562540"	699.656602	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+2Cl"	69.938804
"1031339"	256.531802	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2Cl"	69.938804
"1253471"	522.043685	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Br"	78.918885
"1311180"	524.099672	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Cl+HCOOH"	80.974872
"1325760"	546.081629	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Cl+NaCOOH"	102.956829
"919737"	556.110386	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M-H+CF3COOH"	112.985586
"1294257"	592.087064	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Cl+CF3COOH"	148.962264
"1379350"	408.112124	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H-2H2O"	-35.012676
"1385915"	426.1221	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H-H2O"	-17.0027
"286330"	887.256876	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+H"	1.007276
"679845"	1330.381676	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+H"	1.007276
"1357289"	444.132076	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H"	1.007276
"129084"	444.132076	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+2H"	2.014552
"568648"	665.694476	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+2H"	2.014552
"1040726"	222.569676	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2H"	2.014552
"206442"	296.423809333333	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+3H"	3.021828
"644782"	444.132076	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+3H"	3.021828
"1163067"	148.715542666667	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+3H"	3.021828
"426304"	904.283423	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+NH4"	18.033823
"789487"	1347.408223	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+NH4"	18.033823
"1685818"	461.158623	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+NH4"	18.033823
"330286"	452.6453495	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+H+NH4"	19.041099
"722799"	674.2077495	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+H+NH4"	19.041099
"1484356"	231.0829495	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H+NH4"	19.041099
"397204"	909.238818	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+Na"	22.989218
"768412"	1352.363618	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+Na"	22.989218
"1614687"	466.114018	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Na"	22.989218
"319255"	455.123047	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+H+Na"	23.996494
"709122"	676.685447	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+H+Na"	23.996494
"1469872"	233.560647	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H+Na"	23.996494
"1055095"	156.042856666667	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2H+Na"	25.00377
"1260422"	476.158286	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+CH3OH+H"	33.033486
"379360"	925.212758	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+K"	38.963158
"746559"	1368.337558	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+K"	38.963158
"1547516"	482.087958	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+K"	38.963158
"304692"	463.110017	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+H+K"	39.970434
"699300"	684.672417	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+H+K"	39.970434
"1450932"	241.547617	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H+K"	39.970434
"239533"	928.283426	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+ACN+H"	42.033826
"1212241"	485.158626	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+ACN+H"	42.033826
"1202684"	243.082951	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+ACN+2H"	43.041102
"195556"	931.22076	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+2Na-H"	44.97116
"638396"	1374.34556	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+2Na-H"	44.97116
"1137529"	488.09596	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2Na-H"	44.97116
"180818"	466.114018	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+2Na"	45.978436
"613326"	687.676418	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+2Na"	45.978436
"1119511"	244.551618	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2Na"	45.978436
"1398726"	163.370170666667	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H+2Na"	46.985712
"1435150"	490.137546	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H+HCOOH"	47.012746
"220100"	471.14704	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+3H2O+2H"	56.04448
"1508506"	504.18959	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+IsoProp+H"	61.06479
"412599"	474.100988	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+Na+K"	61.952376
"776875"	695.663388	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+Na+K"	61.952376
"1674299"	252.538588	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Na+K"	61.952376
"258632"	950.265368	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+ACN+Na"	64.015768
"1233894"	507.140568	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+ACN+Na"	64.015768
"1723143"	507.164093	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+NH4+HCOOH"	64.039293
"1189595"	170.697484666667	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+3Na"	68.967654
"1658757"	512.119488	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Na+HCOOH"	68.994688
"163793"	963.16864	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+2K-H"	76.91904
"605184"	1406.29344	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+2K-H"	76.91904
"1095163"	520.04384	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2K-H"	76.91904
"145419"	482.087958	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"2M+2K"	77.926316
"583888"	703.650358	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"3M+2K"	77.926316
"1071679"	260.525558	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2K"	77.926316
"1101004"	522.058392	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2K+H"	78.933592
"1339089"	522.146007	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+DMSO+H"	79.021207
"1007619"	526.185176	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2ACN+H"	83.060376
"1526838"	527.178808	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+IsoProp+Na+H"	84.054008
"990972"	263.596226	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+2ACN+2H"	84.067652
"1592164"	528.093428	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+K+HCOOH"	84.968628
"1416360"	558.124938	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+H+CF3COOH"	115.000138
"1147502"	284.109501	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+3ACN+2H"	125.094202
"1697659"	575.151485	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+NH4+CF3COOH"	132.026685
"1634444"	580.10688	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+Na+CF3COOH"	136.98208
"1571349"	596.08082	"C18886"	"Propaquizafop"	"C22H22ClN3O5"	"443.1248"	"M+K+CF3COOH"	152.95602
"812455"	179.0946	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M"	0
"983801"	160.07621	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"77514"	118.389124	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"517926"	178.087324	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"894512"	58.690924	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"13451"	178.087324	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"451923"	267.634624	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"826445"	88.540024	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"87529"	357.181924	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"530364"	536.276524	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"909259"	178.087324	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"54888"	374.208471	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"493355"	553.303071	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"871156"	195.113871	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"37962"	379.163866	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"475342"	558.258466	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"854236"	200.069266	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1621585"	200.069266	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"98111"	196.075663	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"535119"	285.622963	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"931186"	106.528363	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"271929"	393.158602	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"668729"	572.253202	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1283320"	214.064002	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"26971"	395.137806	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"464343"	574.232406	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"839960"	216.043206	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1566730"	216.043206	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"955706"	224.092794	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"371736"	403.187401	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"354525"	417.203051	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1501171"	238.108451	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"966524"	246.074751	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"116529"	214.064002	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"560463"	303.611302	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1031449"	124.516702	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1248842"	258.013485	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1313476"	260.069472	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1325505"	282.051429	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"919847"	292.080186	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1291450"	328.056864	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1371434"	144.081924	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1386744"	162.0919	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"289716"	359.196476	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"683598"	538.291076	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1358486"	180.101876	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"127726"	180.101876	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"572029"	269.649176	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1047030"	90.554576	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"214200"	120.403676	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"645375"	180.101876	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1171888"	60.705476	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"427505"	376.223023	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"786309"	555.317623	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1681909"	197.128423	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"330591"	188.6151495	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"724426"	278.1624495	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1477202"	99.0678495	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"394026"	381.178418	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"759034"	560.273018	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1609321"	202.083818	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"324826"	191.092847	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"717248"	280.640147	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1463047"	101.545547	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1059940"	68.03279	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1261624"	212.128086	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"378739"	397.152358	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"748855"	576.246958	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1549813"	218.057758	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"306989"	199.079817	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"697223"	288.627117	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1448856"	109.532517	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"240738"	400.223026	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1215631"	221.128426	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1201701"	111.067851	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"192386"	403.16036	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"631946"	582.25496	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1137639"	224.06576	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"180928"	202.083818	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"613317"	291.631118	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1116704"	112.536518	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1398593"	75.360104	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1430141"	226.107346	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"220046"	207.11684	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1509128"	240.15939	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"409289"	210.070788	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"776985"	299.618088	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1669669"	120.523488	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"257648"	422.204968	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1230359"	243.110368	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1718149"	243.133893	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1186786"	82.687418	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1655588"	248.089288	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"163542"	435.10824	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"603104"	614.20284	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1088709"	256.01364	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"148810"	218.057758	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"586185"	307.605058	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1075070"	128.510458	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1104998"	258.028192	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1340293"	258.115807	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1007729"	262.154976	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1525855"	263.148608	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"990717"	131.581126	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1592274"	264.063228	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1416106"	294.094738	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1147855"	152.094401	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1697773"	311.121285	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1634270"	316.07668	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1571312"	332.05062	"C18887"	"Propham"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"813658"	343.0313	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M"	0
"987557"	324.01291	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-H2O-H"	-19.01839
"76164"	227.680257333333	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M-3H"	-3.021828
"515724"	342.024024	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M-3H"	-3.021828
"894137"	113.336490666667	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-3H"	-3.021828
"12468"	342.024024	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M-2H"	-2.014552
"449846"	513.539674	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M-2H"	-2.014552
"822180"	170.508374	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-2H"	-2.014552
"89826"	685.055324	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M-H"	-1.007276
"530476"	1028.086624	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M-H"	-1.007276
"909371"	342.024024	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-H"	-1.007276
"48072"	702.081871	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M-2H+NH4"	16.019271
"491277"	1045.113171	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M-2H+NH4"	16.019271
"870174"	359.050571	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-2H+NH4"	16.019271
"40260"	707.037266	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M-2H+Na"	20.974666
"472293"	1050.068566	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M-2H+Na"	20.974666
"851067"	364.005966	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-2H+Na"	20.974666
"1627163"	364.005966	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Na-2H"	20.974666
"97131"	360.012363	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M-H+Cl"	33.962126
"541062"	531.528013	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M-H+Cl"	33.962126
"931297"	188.496713	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-H+Cl"	33.962126
"273134"	721.032002	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+Cl"	34.969402
"667746"	1064.063302	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+Cl"	34.969402
"1285619"	378.000702	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Cl"	34.969402
"25988"	723.011206	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M-2H+K"	36.948606
"463360"	1066.042506	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M-2H+K"	36.948606
"838975"	379.979906	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-2H+K"	36.948606
"1563559"	379.979906	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+K-2H"	36.948606
"949255"	388.029494	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-H+HCOOH"	44.998194
"365283"	731.060801	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+HCOOH-H"	44.998201
"351356"	745.076451	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+Hac-H"	59.013851
"1496907"	402.045151	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Hac-H"	59.013851
"963356"	410.011451	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-H+NaCOOH"	66.980151
"117734"	378.000702	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+2Cl"	69.938804
"560573"	549.516352	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+2Cl"	69.938804
"1029372"	206.485052	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2Cl"	69.938804
"1247859"	421.950185	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Br"	78.918885
"1313586"	424.006172	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Cl+HCOOH"	80.974872
"1325615"	445.988129	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Cl+NaCOOH"	102.956829
"919958"	456.016886	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M-H+CF3COOH"	112.985586
"1294477"	491.993564	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Cl+CF3COOH"	148.962264
"1375919"	308.018624	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H-2H2O"	-35.012676
"1385761"	326.0286	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H-H2O"	-17.0027
"289824"	687.069876	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+H"	1.007276
"684432"	1030.101176	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+H"	1.007276
"1358596"	344.038576	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H"	1.007276
"129294"	344.038576	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+2H"	2.014552
"571046"	515.554226	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+2H"	2.014552
"1047140"	172.522926	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2H"	2.014552
"214310"	229.694809333333	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+3H"	3.021828
"646214"	344.038576	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+3H"	3.021828
"1168718"	115.351042666667	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+3H"	3.021828
"427615"	704.096423	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+NH4"	18.033823
"787026"	1047.127723	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+NH4"	18.033823
"1683479"	361.065123	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+NH4"	18.033823
"331755"	352.5518495	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+H+NH4"	19.041099
"725265"	524.0674995	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+H+NH4"	19.041099
"1479464"	181.0361995	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H+NH4"	19.041099
"394014"	709.051818	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+Na"	22.989218
"759144"	1052.083118	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+Na"	22.989218
"1609431"	366.020518	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Na"	22.989218
"318374"	355.029547	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+H+Na"	23.996494
"710797"	526.545197	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+H+Na"	23.996494
"1463522"	183.513897	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H+Na"	23.996494
"1057863"	122.678356666667	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2H+Na"	25.00377
"1259184"	376.064786	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+CH3OH+H"	33.033486
"379578"	725.025758	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+K"	38.963158
"748965"	1068.057058	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+K"	38.963158
"1549923"	381.994458	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+K"	38.963158
"307099"	363.016517	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+H+K"	39.970434
"697333"	534.532167	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+H+K"	39.970434
"1453337"	191.500867	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H+K"	39.970434
"239751"	728.096426	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+ACN+H"	42.033826
"1215742"	385.065126	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+ACN+H"	42.033826
"1199623"	193.036201	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+ACN+2H"	43.041102
"193590"	731.03376	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+2Na-H"	44.97116
"632056"	1074.06506	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+2Na-H"	44.97116
"1135561"	388.00246	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2Na-H"	44.97116
"173214"	366.020518	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+2Na"	45.978436
"612899"	537.536168	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+2Na"	45.978436
"1116815"	194.504868	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2Na"	45.978436
"1398462"	130.005670666667	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H+2Na"	46.985712
"1430009"	390.044046	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H+HCOOH"	47.012746
"221907"	371.05354	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+3H2O+2H"	56.04448
"1508829"	404.09609	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+IsoProp+H"	61.06479
"408676"	374.007488	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+Na+K"	61.952376
"770531"	545.523138	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+Na+K"	61.952376
"1666254"	202.491838	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Na+K"	61.952376
"262133"	750.078368	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+ACN+Na"	64.015768
"1234842"	407.047068	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+ACN+Na"	64.015768
"1722634"	407.070593	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+NH4+HCOOH"	64.039293
"1187990"	137.332984666667	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+3Na"	68.967654
"1655698"	412.025988	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Na+HCOOH"	68.994688
"165838"	762.98164	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+2K-H"	76.91904
"605401"	1106.01294	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+2K-H"	76.91904
"1093193"	419.95034	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2K-H"	76.91904
"146733"	381.994458	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"2M+2K"	77.926316
"583017"	553.510108	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"3M+2K"	77.926316
"1072994"	210.478808	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2K"	77.926316
"1105108"	421.964892	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2K+H"	78.933592
"1341498"	422.052507	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+DMSO+H"	79.021207
"1011123"	426.091676	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2ACN+H"	83.060376
"1528153"	427.085308	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+IsoProp+Na+H"	84.054008
"990949"	213.549476	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+2ACN+2H"	84.067652
"1591291"	427.999928	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+K+HCOOH"	84.968628
"1415857"	458.031438	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+H+CF3COOH"	115.000138
"1147151"	234.062751	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+3ACN+2H"	125.094202
"1697151"	475.057985	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+NH4+CF3COOH"	132.026685
"1634706"	480.01338	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+Na+CF3COOH"	136.98208
"1571532"	495.98732	"C18888"	"Prothioconazole"	"C14H15Cl2N3OS"	"343.0313"	"M+K+CF3COOH"	152.95602
"813768"	386.0645	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M"	0
"987300"	367.04611	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-H2O-H"	-19.01839
"75543"	256.369057333333	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M-3H"	-3.021828
"514009"	385.057224	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M-3H"	-3.021828
"894001"	127.680890666667	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-3H"	-3.021828
"14398"	385.057224	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M-2H"	-2.014552
"452140"	578.089474	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M-2H"	-2.014552
"826664"	192.024974	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-2H"	-2.014552
"89937"	771.121724	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M-H"	-1.007276
"530584"	1157.186224	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M-H"	-1.007276
"907292"	385.057224	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-H"	-1.007276
"49643"	788.148271	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M-2H+NH4"	16.019271
"491387"	1174.212771	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M-2H+NH4"	16.019271
"865909"	402.083771	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-2H+NH4"	16.019271
"39276"	793.103666	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M-2H+Na"	20.974666
"471869"	1179.168166	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M-2H+Na"	20.974666
"853364"	407.039166	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-2H+Na"	20.974666
"1627273"	407.039166	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Na-2H"	20.974666
"100521"	403.045563	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M-H+Cl"	33.962126
"541172"	596.077813	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M-H+Cl"	33.962126
"931407"	210.013313	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-H+Cl"	33.962126
"274337"	807.098402	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+Cl"	34.969402
"665669"	1193.162902	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+Cl"	34.969402
"1285729"	421.033902	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Cl"	34.969402
"28286"	809.077606	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M-2H+K"	36.948606
"467843"	1195.142106	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M-2H+K"	36.948606
"840178"	423.013106	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-2H+K"	36.948606
"1570231"	423.013106	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+K-2H"	36.948606
"952645"	431.062694	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-H+HCOOH"	44.998194
"370857"	817.127201	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+HCOOH-H"	44.998201
"351464"	831.142851	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+Hac-H"	59.013851
"1501390"	445.078351	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Hac-H"	59.013851
"964558"	453.044651	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-H+NaCOOH"	66.980151
"121125"	421.033902	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+2Cl"	69.938804
"559590"	614.066152	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+2Cl"	69.938804
"1031669"	228.001652	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2Cl"	69.938804
"1250152"	464.983385	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Br"	78.918885
"1314789"	467.039372	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Cl+HCOOH"	80.974872
"1325725"	489.021329	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Cl+NaCOOH"	102.956829
"916782"	499.050086	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M-H+CF3COOH"	112.985586
"1294587"	535.026764	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Cl+CF3COOH"	148.962264
"1376029"	351.051824	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H-2H2O"	-35.012676
"1388053"	369.0618	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H-H2O"	-17.0027
"289933"	773.136276	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+H"	1.007276
"683449"	1159.200776	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+H"	1.007276
"1357611"	387.071776	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H"	1.007276
"128674"	387.071776	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+2H"	2.014552
"571155"	580.104026	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+2H"	2.014552
"1049804"	194.039526	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2H"	2.014552
"212233"	258.383609333333	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+3H"	3.021828
"646324"	387.071776	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+3H"	3.021828
"1172108"	129.695442666667	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+3H"	3.021828
"431005"	790.162823	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+NH4"	18.033823
"787624"	1176.227323	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+NH4"	18.033823
"1685048"	404.098323	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+NH4"	18.033823
"331866"	395.5850495	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+H+NH4"	19.041099
"724282"	588.6172995	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+H+NH4"	19.041099
"1481760"	202.5527995	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H+NH4"	19.041099
"396068"	795.118218	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+Na"	22.989218
"759254"	1181.182718	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+Na"	22.989218
"1611727"	409.053718	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Na"	22.989218
"320670"	398.062747	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+H+Na"	23.996494
"712360"	591.094997	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+H+Na"	23.996494
"1468007"	205.030497	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H+Na"	23.996494
"1054444"	137.022756666667	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2H+Na"	25.00377
"1259658"	419.097986	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+CH3OH+H"	33.033486
"379326"	811.092158	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+K"	38.963158
"746889"	1197.156658	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+K"	38.963158
"1547847"	425.027658	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+K"	38.963158
"309396"	406.049717	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+H+K"	39.970434
"698537"	599.081967	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+H+K"	39.970434
"1452355"	213.017467	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H+K"	39.970434
"242047"	814.162826	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+ACN+H"	42.033826
"1213665"	428.098326	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+ACN+H"	42.033826
"1198640"	214.552801	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+ACN+2H"	43.041102
"191513"	817.10016	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+2Na-H"	44.97116
"632166"	1203.16466	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+2Na-H"	44.97116
"1135671"	431.03566	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2Na-H"	44.97116
"173369"	409.053718	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+2Na"	45.978436
"612817"	602.085968	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+2Na"	45.978436
"1115656"	216.021468	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2Na"	45.978436
"1398744"	144.350070666667	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H+2Na"	46.985712
"1429897"	433.077246	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H+HCOOH"	47.012746
"225176"	414.08674	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+3H2O+2H"	56.04448
"1511051"	447.12929	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+IsoProp+H"	61.06479
"408801"	417.040688	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+Na+K"	61.952376
"770641"	610.072938	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+Na+K"	61.952376
"1670252"	224.008438	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Na+K"	61.952376
"263336"	836.144768	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+ACN+Na"	64.015768
"1234952"	450.080268	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+ACN+Na"	64.015768
"1724930"	450.103793	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+NH4+HCOOH"	64.039293
"1189193"	151.677384666667	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+3Na"	68.967654
"1657994"	455.059188	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Na+HCOOH"	68.994688
"164855"	849.04804	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+2K-H"	76.91904
"605511"	1235.11254	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+2K-H"	76.91904
"1093303"	462.98354	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2K-H"	76.91904
"146843"	425.027658	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"2M+2K"	77.926316
"582154"	618.059908	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"3M+2K"	77.926316
"1072011"	231.995408	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2K"	77.926316
"1105219"	464.998092	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2K+H"	78.933592
"1339418"	465.085707	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+DMSO+H"	79.021207
"1007949"	469.124876	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2ACN+H"	83.060376
"1524612"	470.118508	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+IsoProp+Na+H"	84.054008
"991790"	235.066076	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+2ACN+2H"	84.067652
"1589209"	471.033128	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+K+HCOOH"	84.968628
"1415965"	501.064638	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+H+CF3COOH"	115.000138
"1147218"	255.579351	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+3ACN+2H"	125.094202
"1697081"	518.091185	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+NH4+CF3COOH"	132.026685
"1634288"	523.04658	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+Na+CF3COOH"	136.98208
"1571602"	539.02052	"C18889"	"Pyrazosulfuron"	"C12H14N6O7S"	"386.0645"	"M+K+CF3COOH"	152.95602
"812785"	347.1117	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M"	0
"985224"	328.09331	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-H2O-H"	-19.01839
"78131"	230.400524	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M-3H"	-3.021828
"517524"	346.104424	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M-3H"	-3.021828
"894962"	114.696624	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-3H"	-3.021828
"14630"	346.104424	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M-2H"	-2.014552
"454073"	519.660274	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M-2H"	-2.014552
"826772"	172.548574	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-2H"	-2.014552
"89685"	693.216124	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M-H"	-1.007276
"532397"	1040.327824	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M-H"	-1.007276
"908497"	346.104424	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-H"	-1.007276
"51940"	710.242671	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M-2H+NH4"	16.019271
"492590"	1057.354371	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M-2H+NH4"	16.019271
"867839"	363.130971	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-2H+NH4"	16.019271
"37199"	715.198066	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M-2H+Na"	20.974666
"472753"	1062.309766	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M-2H+Na"	20.974666
"854567"	368.086366	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-2H+Na"	20.974666
"1627383"	368.086366	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Na-2H"	20.974666
"102817"	364.092763	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M-H+Cl"	33.962126
"541282"	537.648613	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M-H+Cl"	33.962126
"932610"	190.536913	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-H+Cl"	33.962126
"274447"	729.192802	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+Cl"	34.969402
"671246"	1076.304502	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+Cl"	34.969402
"1285839"	382.081102	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Cl"	34.969402
"26208"	731.172006	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M-2H+K"	36.948606
"466860"	1078.283706	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M-2H+K"	36.948606
"840288"	384.060306	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-2H+K"	36.948606
"1569976"	384.060306	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+K-2H"	36.948606
"957493"	392.109894	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-H+HCOOH"	44.998194
"374249"	739.221601	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+HCOOH-H"	44.998201
"351574"	753.237251	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+Hac-H"	59.013851
"1497488"	406.125551	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Hac-H"	59.013851
"962842"	414.091851	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-H+NaCOOH"	66.980151
"121233"	382.081102	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+2Cl"	69.938804
"560794"	555.636952	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+2Cl"	69.938804
"1029592"	208.525252	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2Cl"	69.938804
"1249170"	426.030585	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Br"	78.918885
"1314899"	428.086572	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Cl+HCOOH"	80.974872
"1324741"	450.068529	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Cl+NaCOOH"	102.956829
"915070"	460.097286	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M-H+CF3COOH"	112.985586
"1291780"	496.073964	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Cl+CF3COOH"	148.962264
"1371765"	312.099024	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H-2H2O"	-35.012676
"1384887"	330.109	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H-H2O"	-17.0027
"288950"	695.230676	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+H"	1.007276
"684288"	1042.342376	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+H"	1.007276
"1358450"	348.118976	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H"	1.007276
"128420"	348.118976	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+2H"	2.014552
"572358"	521.674826	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+2H"	2.014552
"1049911"	174.563126	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2H"	2.014552
"212343"	232.415076	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+3H"	3.021828
"645704"	348.118976	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+3H"	3.021828
"1166751"	116.711176	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+3H"	3.021828
"431115"	712.257223	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+NH4"	18.033823
"787733"	1059.368923	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+NH4"	18.033823
"1682601"	365.145523	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+NH4"	18.033823
"331973"	356.6322495	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+H+NH4"	19.041099
"726215"	530.1880995	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+H+NH4"	19.041099
"1478589"	183.0763995	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H+NH4"	19.041099
"394113"	717.212618	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+Na"	22.989218
"757905"	1064.324318	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+Na"	22.989218
"1611837"	370.100918	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Na"	22.989218
"320780"	359.109947	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+H+Na"	23.996494
"709432"	532.665797	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+H+Na"	23.996494
"1467023"	185.554097	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H+Na"	23.996494
"1055891"	124.03849	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2H+Na"	25.00377
"1263043"	380.145186	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+CH3OH+H"	33.033486
"384903"	733.186558	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+K"	38.963158
"749183"	1080.298258	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+K"	38.963158
"1549050"	386.074858	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+K"	38.963158
"308412"	367.096917	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+H+K"	39.970434
"698646"	540.652767	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+H+K"	39.970434
"1452465"	193.541067	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H+K"	39.970434
"241063"	736.257226	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+ACN+H"	42.033826
"1215960"	389.145526	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+ACN+H"	42.033826
"1198748"	195.076401	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+ACN+2H"	43.041102
"189434"	739.19456	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+2Na-H"	44.97116
"630331"	1086.30626	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+2Na-H"	44.97116
"1137968"	392.08286	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2Na-H"	44.97116
"173114"	370.100918	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+2Na"	45.978436
"613395"	543.656768	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+2Na"	45.978436
"1118855"	196.545068	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2Na"	45.978436
"1399097"	131.365804	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H+2Na"	46.985712
"1430475"	394.124446	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H+HCOOH"	47.012746
"220178"	375.13394	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+3H2O+2H"	56.04448
"1511161"	408.17649	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+IsoProp+H"	61.06479
"409628"	378.087888	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+Na+K"	61.952376
"771844"	551.643738	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+Na+K"	61.952376
"1670362"	204.532038	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Na+K"	61.952376
"252748"	758.239168	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+ACN+Na"	64.015768
"1235062"	411.127468	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+ACN+Na"	64.015768
"1721761"	411.150993	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+NH4+HCOOH"	64.039293
"1188210"	138.693118	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+3Na"	68.967654
"1658104"	416.106388	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Na+HCOOH"	68.994688
"168244"	771.14244	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+2K-H"	76.91904
"605621"	1118.25414	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+2K-H"	76.91904
"1093412"	424.03074	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2K-H"	76.91904
"144767"	386.074858	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"2M+2K"	77.926316
"589797"	559.630708	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"3M+2K"	77.926316
"1072122"	212.519008	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2K"	77.926316
"1104236"	426.045292	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2K+H"	78.933592
"1339529"	426.132907	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+DMSO+H"	79.021207
"1008060"	430.172076	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2ACN+H"	83.060376
"1526184"	431.165708	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+IsoProp+Na+H"	84.054008
"990928"	215.589676	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+2ACN+2H"	84.067652
"1587618"	432.080328	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+K+HCOOH"	84.968628
"1417169"	462.111838	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+H+CF3COOH"	115.000138
"1148551"	236.102951	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+3ACN+2H"	125.094202
"1697251"	479.138385	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+NH4+CF3COOH"	132.026685
"1634355"	484.09378	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+Na+CF3COOH"	136.98208
"1572076"	500.06772	"C18890"	"Pyriminobac"	"C16H17N3O6"	"347.1117"	"M+K+CF3COOH"	152.95602
"813988"	221.0244	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M"	0
"986427"	202.00601	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-H2O-H"	-19.01839
"76858"	146.342324	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M-3H"	-3.021828
"518164"	220.017124	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M-3H"	-3.021828
"895072"	72.667524	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-3H"	-3.021828
"15436"	220.017124	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M-2H"	-2.014552
"455075"	330.529324	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M-2H"	-2.014552
"830162"	109.504924	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-2H"	-2.014552
"90526"	441.041524	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M-H"	-1.007276
"531898"	662.065924	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M-H"	-1.007276
"906420"	220.017124	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-H"	-1.007276
"50956"	458.068071	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M-2H+NH4"	16.019271
"495982"	679.092471	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M-2H+NH4"	16.019271
"869409"	237.043671	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-2H+NH4"	16.019271
"38403"	463.023466	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M-2H+Na"	20.974666
"473228"	684.047866	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M-2H+Na"	20.974666
"851517"	241.999066	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-2H+Na"	20.974666
"1627492"	241.999066	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Na-2H"	20.974666
"101833"	238.005463	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M-H+Cl"	33.962126
"538112"	348.517663	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M-H+Cl"	33.962126
"932720"	127.493263	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-H+Cl"	33.962126
"276744"	477.018202	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+Cl"	34.969402
"671356"	698.042602	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+Cl"	34.969402
"1285586"	255.993802	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Cl"	34.969402
"23037"	478.997406	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M-2H+K"	36.948606
"465877"	700.021806	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M-2H+K"	36.948606
"840398"	257.973006	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-2H+K"	36.948606
"1570411"	257.973006	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+K-2H"	36.948606
"958135"	266.022594	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-H+HCOOH"	44.998194
"373995"	487.047001	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+HCOOH-H"	44.998201
"351684"	501.062651	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+Hac-H"	59.013851
"1498692"	280.038251	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Hac-H"	59.013851
"965139"	288.004551	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-H+NaCOOH"	66.980151
"118063"	255.993802	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+2Cl"	69.938804
"560904"	366.506002	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+2Cl"	69.938804
"1030795"	145.481602	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2Cl"	69.938804
"1250373"	299.943285	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Br"	78.918885
"1312823"	301.999272	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Cl+HCOOH"	80.974872
"1324486"	323.981229	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Cl+NaCOOH"	102.956829
"914452"	334.009986	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M-H+CF3COOH"	112.985586
"1293712"	369.986664	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Cl+CF3COOH"	148.962264
"1372968"	186.011724	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H-2H2O"	-35.012676
"1385725"	204.0217	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H-H2O"	-17.0027
"286867"	443.056076	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+H"	1.007276
"681481"	664.080476	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+H"	1.007276
"1362570"	222.031676	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H"	1.007276
"130352"	222.031676	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+2H"	2.014552
"572467"	332.543876	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+2H"	2.014552
"1046741"	111.519476	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2H"	2.014552
"210266"	148.356876	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+3H"	3.021828
"645449"	222.031676	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+3H"	3.021828
"1166861"	74.682076	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+3H"	3.021828
"427945"	460.082623	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+NH4"	18.033823
"788935"	681.107023	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+NH4"	18.033823
"1682348"	239.058223	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+NH4"	18.033823
"332085"	230.5449495	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+H+NH4"	19.041099
"723409"	341.0571495	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+H+NH4"	19.041099
"1478696"	120.0327495	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H+NH4"	19.041099
"393852"	465.038018	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+Na"	22.989218
"759474"	686.062418	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+Na"	22.989218
"1611947"	244.013618	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Na"	22.989218
"320890"	233.022647	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+H+Na"	23.996494
"711850"	343.534847	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+H+Na"	23.996494
"1463850"	122.510447	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H+Na"	23.996494
"1057094"	82.00939	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2H+Na"	25.00377
"1265340"	254.057886	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+CH3OH+H"	33.033486
"382825"	481.011958	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+K"	38.963158
"748199"	702.036358	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+K"	38.963158
"1545879"	259.987558	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+K"	38.963158
"306336"	241.009617	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+H+K"	39.970434
"696569"	351.521817	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+H+K"	39.970434
"1454760"	130.497417	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H+K"	39.970434
"242267"	484.082626	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+ACN+H"	42.033826
"1214977"	263.058226	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+ACN+H"	42.033826
"1195820"	132.032751	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+ACN+2H"	43.041102
"195012"	487.01996	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+2Na-H"	44.97116
"631291"	708.04436	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+2Na-H"	44.97116
"1135891"	265.99556	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2Na-H"	44.97116
"173258"	244.013618	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+2Na"	45.978436
"614970"	354.525818	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+2Na"	45.978436
"1117383"	133.501418	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2Na"	45.978436
"1402487"	89.336704	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H+2Na"	46.985712
"1430348"	268.037146	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H+HCOOH"	47.012746
"220772"	249.04664	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+3H2O+2H"	56.04448
"1511271"	282.08919	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+IsoProp+H"	61.06479
"409861"	252.000588	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+Na+K"	61.952376
"772681"	362.512788	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+Na+K"	61.952376
"1669378"	141.488388	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Na+K"	61.952376
"258081"	506.064568	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+ACN+Na"	64.015768
"1236265"	285.040168	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+ACN+Na"	64.015768
"1721871"	285.063693	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+NH4+HCOOH"	64.039293
"1187226"	96.664018	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+3Na"	68.967654
"1656027"	290.019088	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Na+HCOOH"	68.994688
"168354"	518.96784	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+2K-H"	76.91904
"605731"	739.99224	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+2K-H"	76.91904
"1093522"	297.94344	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2K-H"	76.91904
"148157"	259.987558	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"2M+2K"	77.926316
"589907"	370.499758	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"3M+2K"	77.926316
"1074419"	149.475358	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2K"	77.926316
"1102160"	299.957992	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2K+H"	78.933592
"1339638"	300.045607	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+DMSO+H"	79.021207
"1006708"	304.084776	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2ACN+H"	83.060376
"1527382"	305.078408	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+IsoProp+Na+H"	84.054008
"996018"	152.546026	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+2ACN+2H"	84.067652
"1588701"	305.993028	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+K+HCOOH"	84.968628
"1417276"	336.024538	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+H+CF3COOH"	115.000138
"1147321"	173.059301	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+3ACN+2H"	125.094202
"1700396"	353.051085	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+NH4+CF3COOH"	132.026685
"1634954"	358.00648	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+Na+CF3COOH"	136.98208
"1571822"	373.98042	"C18891"	"Quinmerac"	"C11H8ClNO2"	"221.0244"	"M+K+CF3COOH"	152.95602
"813005"	306.9967	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M"	0
"984351"	287.97831	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-H2O-H"	-19.01839
"76604"	203.657190666667	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M-3H"	-3.021828
"518450"	305.989424	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M-3H"	-3.021828
"894704"	101.324957333333	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-3H"	-3.021828
"15385"	305.989424	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M-2H"	-2.014552
"455592"	459.487774	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M-2H"	-2.014552
"831732"	152.491074	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-2H"	-2.014552
"89541"	612.986124	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M-H"	-1.007276
"533957"	919.982824	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M-H"	-1.007276
"906530"	305.989424	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-H"	-1.007276
"55440"	630.012671	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M-2H+NH4"	16.019271
"498279"	937.009371	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M-2H+NH4"	16.019271
"873893"	323.015971	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-2H+NH4"	16.019271
"35233"	634.968066	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M-2H+Na"	20.974666
"476985"	941.964766	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M-2H+Na"	20.974666
"853693"	327.971366	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-2H+Na"	20.974666
"1629789"	327.971366	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Na-2H"	20.974666
"104130"	323.977763	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M-H+Cl"	33.962126
"544786"	477.476113	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M-H+Cl"	33.962126
"936112"	170.479413	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-H+Cl"	33.962126
"275761"	648.962802	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+Cl"	34.969402
"672925"	955.959502	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+Cl"	34.969402
"1284963"	341.966102	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Cl"	34.969402
"28983"	650.942006	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M-2H+K"	36.948606
"470486"	957.938706	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M-2H+K"	36.948606
"841601"	343.945306	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-2H+K"	36.948606
"1568739"	343.945306	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+K-2H"	36.948606
"957474"	351.994894	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-H+HCOOH"	44.998194
"371192"	658.991601	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+HCOOH-H"	44.998201
"357261"	673.007251	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+Hac-H"	59.013851
"1499166"	366.010551	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Hac-H"	59.013851
"967072"	373.976851	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-H+NaCOOH"	66.980151
"118173"	341.966102	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+2Cl"	69.938804
"559920"	495.464452	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+2Cl"	69.938804
"1027626"	188.467752	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2Cl"	69.938804
"1249392"	385.915585	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Br"	78.918885
"1316213"	387.971572	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Cl+HCOOH"	80.974872
"1325325"	409.953529	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Cl+NaCOOH"	102.956829
"916019"	419.982286	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M-H+CF3COOH"	112.985586
"1296011"	455.958964	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Cl+CF3COOH"	148.962264
"1375266"	271.984024	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H-2H2O"	-35.012676
"1385835"	289.994	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H-H2O"	-17.0027
"286614"	615.000676	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+H"	1.007276
"680498"	921.997376	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+H"	1.007276
"1363045"	308.003976	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H"	1.007276
"129734"	308.003976	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+2H"	2.014552
"571485"	461.502326	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+2H"	2.014552
"1047944"	154.505626	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2H"	2.014552
"209283"	205.671742666667	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+3H"	3.021828
"646654"	308.003976	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+3H"	3.021828
"1170252"	103.339509333333	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+3H"	3.021828
"430242"	632.027223	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+NH4"	18.033823
"788317"	939.023923	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+NH4"	18.033823
"1682459"	325.030523	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+NH4"	18.033823
"331102"	316.5172495	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+H+NH4"	19.041099
"722951"	470.0155995	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+H+NH4"	19.041099
"1478930"	163.0188995	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H+NH4"	19.041099
"393476"	636.982618	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+Na"	22.989218
"762864"	943.979318	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+Na"	22.989218
"1612057"	329.985918	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Na"	22.989218
"321000"	318.994947	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+H+Na"	23.996494
"709409"	472.493297	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+H+Na"	23.996494
"1463957"	165.496597	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H+Na"	23.996494
"1054653"	110.666823333333	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2H+Na"	25.00377
"1261072"	340.030186	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+CH3OH+H"	33.033486
"382928"	652.956558	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+K"	38.963158
"746112"	959.953258	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+K"	38.963158
"1542693"	345.959858	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+K"	38.963158
"306436"	326.981917	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+H+K"	39.970434
"704327"	480.480267	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+H+K"	39.970434
"1458147"	173.483567	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H+K"	39.970434
"247841"	656.027226	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+ACN+H"	42.033826
"1211439"	349.030526	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+ACN+H"	42.033826
"1196780"	175.018901	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+ACN+2H"	43.041102
"195115"	658.96456	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+2Na-H"	44.97116
"630300"	965.96126	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+2Na-H"	44.97116
"1132105"	351.96786	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2Na-H"	44.97116
"173806"	329.985918	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+2Na"	45.978436
"613000"	483.484268	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+2Na"	45.978436
"1116146"	176.487568	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2Na"	45.978436
"1398530"	117.994137333333	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H+2Na"	46.985712
"1430114"	354.009446	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H+HCOOH"	47.012746
"220257"	335.01894	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+3H2O+2H"	56.04448
"1508689"	368.06149	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+IsoProp+H"	61.06479
"408705"	337.972888	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+Na+K"	61.952376
"771697"	491.471238	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+Na+K"	61.952376
"1669488"	184.474538	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Na+K"	61.952376
"256370"	678.009168	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+ACN+Na"	64.015768
"1238563"	371.012468	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+ACN+Na"	64.015768
"1725263"	371.035993	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+NH4+HCOOH"	64.039293
"1190253"	125.321451333333	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+3Na"	68.967654
"1656137"	375.991388	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Na+HCOOH"	68.994688
"170654"	690.91244	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+2K-H"	76.91904
"608029"	997.90914	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+2K-H"	76.91904
"1094725"	383.91574	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2K-H"	76.91904
"152634"	345.959858	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"2M+2K"	77.926316
"590016"	499.458208	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"3M+2K"	77.926316
"1074529"	192.461508	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2K"	77.926316
"1106644"	385.930292	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2K+H"	78.933592
"1338655"	386.017907	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+DMSO+H"	79.021207
"1007428"	390.057076	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2ACN+H"	83.060376
"1525674"	391.050708	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+IsoProp+Na+H"	84.054008
"992121"	195.532176	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+2ACN+2H"	84.067652
"1590268"	391.965328	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+K+HCOOH"	84.968628
"1417750"	421.996838	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+H+CF3COOH"	115.000138
"1149134"	216.045451	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+3ACN+2H"	125.094202
"1699777"	439.023385	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+NH4+CF3COOH"	132.026685
"1635063"	443.97878	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+Na+CF3COOH"	136.98208
"1571932"	459.95272	"C18892"	"Quinoxyfen"	"C15H8Cl2FNO"	"306.9967"	"M+K+CF3COOH"	152.95602
"812022"	299.0272	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M"	0
"985555"	280.00881	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-H2O-H"	-19.01839
"75984"	198.344190666667	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M-3H"	-3.021828
"517735"	298.019924	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M-3H"	-3.021828
"894451"	98.6684573333333	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-3H"	-3.021828
"15212"	298.019924	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M-2H"	-2.014552
"452221"	447.533524	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M-2H"	-2.014552
"830023"	148.506324	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-2H"	-2.014552
"90745"	597.047124	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M-H"	-1.007276
"532126"	896.074324	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M-H"	-1.007276
"909320"	298.019924	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-H"	-1.007276
"52269"	614.073671	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M-2H+NH4"	16.019271
"498390"	913.100871	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M-2H+NH4"	16.019271
"871817"	315.046471	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-2H+NH4"	16.019271
"32427"	619.029066	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M-2H+Na"	20.974666
"477094"	918.056266	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M-2H+Na"	20.974666
"853803"	320.001866	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-2H+Na"	20.974666
"1629175"	320.001866	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Na-2H"	20.974666
"107159"	316.008263	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M-H+Cl"	33.962126
"547453"	465.521863	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M-H+Cl"	33.962126
"941698"	166.494663	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-H+Cl"	33.962126
"279159"	633.023802	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+Cl"	34.969402
"671215"	932.051002	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+Cl"	34.969402
"1286171"	333.996602	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Cl"	34.969402
"31127"	635.003006	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M-2H+K"	36.948606
"469988"	934.030206	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M-2H+K"	36.948606
"843900"	335.975806	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-2H+K"	36.948606
"1569945"	335.975806	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+K-2H"	36.948606
"955274"	344.025394	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-H+HCOOH"	44.998194
"374583"	643.052601	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+HCOOH-H"	44.998201
"351903"	657.068251	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+Hac-H"	59.013851
"1501829"	358.041051	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Hac-H"	59.013851
"968281"	366.007351	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-H+NaCOOH"	66.980151
"121200"	333.996602	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+2Cl"	69.938804
"558935"	483.510202	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+2Cl"	69.938804
"1033202"	184.483002	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2Cl"	69.938804
"1251689"	377.946085	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Br"	78.918885
"1315230"	380.002072	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Cl+HCOOH"	80.974872
"1325072"	401.984029	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Cl+NaCOOH"	102.956829
"915037"	412.012786	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M-H+CF3COOH"	112.985586
"1300133"	447.989464	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Cl+CF3COOH"	148.962264
"1374283"	264.014524	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H-2H2O"	-35.012676
"1386312"	282.0245	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H-H2O"	-17.0027
"287455"	599.061676	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+H"	1.007276
"686806"	898.088876	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+H"	1.007276
"1362425"	300.034476	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H"	1.007276
"132032"	300.034476	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+2H"	2.014552
"575607"	449.548076	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+2H"	2.014552
"1045868"	150.520876	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2H"	2.014552
"209394"	200.358742666667	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+3H"	3.021828
"648954"	300.034476	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+3H"	3.021828
"1170362"	100.683009333333	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+3H"	3.021828
"427071"	616.088223	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+NH4"	18.033823
"786973"	915.115423	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+NH4"	18.033823
"1686583"	317.061023	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+NH4"	18.033823
"334860"	308.5477495	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+H+NH4"	19.041099
"723876"	458.0613495	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+H+NH4"	19.041099
"1481106"	159.0341495	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H+NH4"	19.041099
"395411"	621.043618	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+Na"	22.989218
"757870"	920.070818	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+Na"	22.989218
"1604873"	322.016418	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Na"	22.989218
"318188"	311.025447	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+H+Na"	23.996494
"708424"	460.539047	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+H+Na"	23.996494
"1461880"	161.511847	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H+Na"	23.996494
"1061691"	108.010323333333	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2H+Na"	25.00377
"1260818"	332.060686	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+CH3OH+H"	33.033486
"389602"	637.017558	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+K"	38.963158
"750599"	936.044758	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+K"	38.963158
"1551557"	337.990358	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+K"	38.963158
"308738"	319.012417	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+H+K"	39.970434
"701160"	468.526017	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+H+K"	39.970434
"1458257"	169.498817	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H+K"	39.970434
"245767"	640.088226	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+ACN+H"	42.033826
"1216289"	341.061026	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+ACN+H"	42.033826
"1199076"	171.034151	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+ACN+2H"	43.041102
"195227"	643.02556	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+2Na-H"	44.97116
"628993"	942.05276	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+2Na-H"	44.97116
"1132458"	343.99836	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2Na-H"	44.97116
"173038"	322.016418	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+2Na"	45.978436
"612880"	471.530018	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+2Na"	45.978436
"1116010"	172.502818	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2Na"	45.978436
"1398798"	115.337637333333	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H+2Na"	46.985712
"1430347"	346.039946	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H+HCOOH"	47.012746
"220608"	327.04944	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+3H2O+2H"	56.04448
"1508920"	360.09199	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+IsoProp+H"	61.06479
"408970"	330.003388	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+Na+K"	61.952376
"772172"	479.516988	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+Na+K"	61.952376
"1667408"	180.489788	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Na+K"	61.952376
"255386"	662.070168	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+ACN+Na"	64.015768
"1237583"	363.042968	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+ACN+Na"	64.015768
"1728338"	363.066493	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+NH4+HCOOH"	64.039293
"1190731"	122.664951333333	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+3Na"	68.967654
"1663905"	368.021888	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Na+HCOOH"	68.994688
"167485"	674.97344	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+2K-H"	76.91904
"610327"	974.00064	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+2K-H"	76.91904
"1091558"	375.94624	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2K-H"	76.91904
"150561"	337.990358	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"2M+2K"	77.926316
"592313"	487.503958	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"3M+2K"	77.926316
"1074639"	188.476758	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2K"	77.926316
"1103473"	377.960792	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2K+H"	78.933592
"1338765"	378.048407	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+DMSO+H"	79.021207
"1008389"	382.087576	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2ACN+H"	83.060376
"1528702"	383.081208	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+IsoProp+Na+H"	84.054008
"992960"	191.547426	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+2ACN+2H"	84.067652
"1590015"	383.995828	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+K+HCOOH"	84.968628
"1416404"	414.027338	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+H+CF3COOH"	115.000138
"1148151"	212.060701	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+3ACN+2H"	125.094202
"1698433"	431.053885	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+NH4+CF3COOH"	132.026685
"1634810"	436.00928	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+Na+CF3COOH"	136.98208
"1572285"	451.98322	"C18893"	"1-Methylseleno-N-acetyl-D-galactosamine"	"C9H17NO5Se"	"299.0272"	"M+K+CF3COOH"	152.95602
"812132"	747.4921	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M"	0
"984571"	728.47371	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-H2O-H"	-19.01839
"72814"	497.320790666667	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M-3H"	-3.021828
"518088"	746.484824	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M-3H"	-3.021828
"894309"	248.156757333333	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-3H"	-3.021828
"12032"	746.484824	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M-2H"	-2.014552
"454389"	1120.230874	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M-2H"	-2.014552
"828310"	372.738774	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-2H"	-2.014552
"90127"	1493.976924	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M-H"	-1.007276
"531020"	2241.469024	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M-H"	-1.007276
"906751"	746.484824	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-H"	-1.007276
"51286"	1511.003471	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M-2H+NH4"	16.019271
"494126"	2258.495571	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M-2H+NH4"	16.019271
"868647"	763.511371	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-2H+NH4"	16.019271
"32050"	1515.958866	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M-2H+Na"	20.974666
"477205"	2263.450966	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M-2H+Na"	20.974666
"852820"	768.466766	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-2H+Na"	20.974666
"1630379"	768.466766	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Na-2H"	20.974666
"105448"	764.473163	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M-H+Cl"	33.962126
"548294"	1138.219213	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M-H+Cl"	33.962126
"941323"	390.727113	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-H+Cl"	33.962126
"278904"	1529.953602	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+Cl"	34.969402
"672055"	2277.445702	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+Cl"	34.969402
"1284455"	782.461502	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Cl"	34.969402
"31396"	1531.932806	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M-2H+K"	36.948606
"469495"	2279.424906	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M-2H+K"	36.948606
"845837"	784.440706	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-2H+K"	36.948606
"1570056"	784.440706	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+K-2H"	36.948606
"955751"	792.490294	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-H+HCOOH"	44.998194
"372872"	1539.982401	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+HCOOH-H"	44.998201
"353111"	1553.998051	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+Hac-H"	59.013851
"1500849"	806.505951	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Hac-H"	59.013851
"965112"	814.472251	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-H+NaCOOH"	66.980151
"122040"	782.461502	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+2Cl"	69.938804
"560139"	1156.207552	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+2Cl"	69.938804
"1030032"	408.715452	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2Cl"	69.938804
"1250702"	826.410985	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Br"	78.918885
"1314246"	828.466972	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Cl+HCOOH"	80.974872
"1326277"	850.448929	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Cl+NaCOOH"	102.956829
"921708"	860.477686	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M-H+CF3COOH"	112.985586
"1297327"	896.454364	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Cl+CF3COOH"	148.962264
"1374393"	712.479424	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H-2H2O"	-35.012676
"1386421"	730.4894	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H-H2O"	-17.0027
"286108"	1495.991476	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+H"	1.007276
"685821"	2243.483576	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+H"	1.007276
"1359982"	748.499376	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H"	1.007276
"131048"	748.499376	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+2H"	2.014552
"576081"	1122.245426	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+2H"	2.014552
"1043792"	374.753326	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2H"	2.014552
"210599"	499.335342666667	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+3H"	3.021828
"652345"	748.499376	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+3H"	3.021828
"1169378"	250.171309333333	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+3H"	3.021828
"427180"	1513.018023	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+NH4"	18.033823
"790363"	2260.510123	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+NH4"	18.033823
"1686693"	765.525923	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+NH4"	18.033823
"336063"	757.0126495	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+H+NH4"	19.041099
"723985"	1130.7586995	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+H+NH4"	19.041099
"1479150"	383.2665995	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H+NH4"	19.041099
"394427"	1517.973418	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+Na"	22.989218
"756888"	2265.465518	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+Na"	22.989218
"1604984"	770.481318	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Na"	22.989218
"319027"	759.490347	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+H+Na"	23.996494
"708897"	1133.236397	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+H+Na"	23.996494
"1461866"	385.744297	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H+Na"	23.996494
"1061801"	257.498623333333	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2H+Na"	25.00377
"1260564"	780.525586	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+CH3OH+H"	33.033486
"389712"	1533.947358	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+K"	38.963158
"750711"	2281.439458	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+K"	38.963158
"1551667"	786.455258	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+K"	38.963158
"309941"	767.477317	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+H+K"	39.970434
"703456"	1141.223367	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+H+K"	39.970434
"1457274"	393.731267	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H+K"	39.970434
"246970"	1537.018026	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+ACN+H"	42.033826
"1216399"	789.525926	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+ACN+H"	42.033826
"1198457"	395.266601	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+ACN+2H"	43.041102
"192057"	1539.95536	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+2Na-H"	44.97116
"630521"	2287.44746	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+2Na-H"	44.97116
"1132568"	792.46326	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2Na-H"	44.97116
"173582"	770.481318	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+2Na"	45.978436
"613301"	1144.227368	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+2Na"	45.978436
"1116078"	396.735268	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2Na"	45.978436
"1399073"	264.825937333333	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H+2Na"	46.985712
"1430255"	794.504846	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H+HCOOH"	47.012746
"220395"	775.51434	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+3H2O+2H"	56.04448
"1509027"	808.55689	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+IsoProp+H"	61.06479
"409446"	778.468288	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+Na+K"	61.952376
"770925"	1152.214338	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+Na+K"	61.952376
"1667134"	404.722238	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Na+K"	61.952376
"252196"	1558.999968	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+ACN+Na"	64.015768
"1226368"	811.507868	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+ACN+Na"	64.015768
"1714165"	811.531393	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+NH4+HCOOH"	64.039293
"1184269"	272.153251333333	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+3Na"	68.967654
"1658540"	816.486788	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Na+HCOOH"	68.994688
"166496"	1571.90324	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+2K-H"	76.91904
"610431"	2319.39534	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+2K-H"	76.91904
"1089482"	824.41114	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2K-H"	76.91904
"149578"	786.455258	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"2M+2K"	77.926316
"586956"	1160.201308	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"3M+2K"	77.926316
"1074749"	412.709208	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2K"	77.926316
"1102490"	826.425692	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2K+H"	78.933592
"1336931"	826.513307	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+DMSO+H"	79.021207
"1007648"	830.552476	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2ACN+H"	83.060376
"1526625"	831.546108	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+IsoProp+Na+H"	84.054008
"992098"	415.779876	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+2ACN+2H"	84.067652
"1589761"	832.460728	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+K+HCOOH"	84.968628
"1415542"	862.492238	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+H+CF3COOH"	115.000138
"1147411"	436.293151	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+3ACN+2H"	125.094202
"1698908"	879.518785	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+NH4+CF3COOH"	132.026685
"1635284"	884.47418	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+Na+CF3COOH"	136.98208
"1574217"	900.44812	"C18894"	"Spinetoram"	"C42H69NO10"	"747.4921"	"M+K+CF3COOH"	152.95602
"816734"	350.0685	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M"	0
"984684"	331.05011	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-H2O-H"	-19.01839
"71832"	232.371724	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M-3H"	-3.021828
"515768"	349.061224	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M-3H"	-3.021828
"892475"	115.682224	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-3H"	-3.021828
"14335"	349.061224	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M-2H"	-2.014552
"453168"	524.095474	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M-2H"	-2.014552
"830969"	174.026974	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-2H"	-2.014552
"91687"	699.129724	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M-H"	-1.007276
"525780"	1049.198224	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M-H"	-1.007276
"907955"	349.061224	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-H"	-1.007276
"52495"	716.156271	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M-2H+NH4"	16.019271
"488163"	1066.224771	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M-2H+NH4"	16.019271
"865603"	366.087771	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-2H+NH4"	16.019271
"44324"	721.111666	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M-2H+Na"	20.974666
"485711"	1071.180166	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M-2H+Na"	20.974666
"863634"	371.043166	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-2H+Na"	20.974666
"1631584"	371.043166	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Na-2H"	20.974666
"109658"	367.049563	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M-H+Cl"	33.962126
"548280"	542.083813	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M-H+Cl"	33.962126
"941556"	192.015313	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-H+Cl"	33.962126
"282300"	735.106402	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+Cl"	34.969402
"671437"	1085.174902	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+Cl"	34.969402
"1287252"	385.037902	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Cl"	34.969402
"30166"	737.085606	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M-2H+K"	36.948606
"469236"	1087.154106	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M-2H+K"	36.948606
"846308"	387.017106	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-2H+K"	36.948606
"1566518"	387.017106	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+K-2H"	36.948606
"953308"	395.066694	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-H+HCOOH"	44.998194
"371520"	745.135201	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+HCOOH-H"	44.998201
"352490"	759.150851	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+Hac-H"	59.013851
"1499501"	409.082351	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Hac-H"	59.013851
"965226"	417.048651	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-H+NaCOOH"	66.980151
"115589"	385.037902	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+2Cl"	69.938804
"558065"	560.072152	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+2Cl"	69.938804
"1029416"	210.003652	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2Cl"	69.938804
"1250821"	428.987385	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Br"	78.918885
"1315456"	431.043372	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Cl+HCOOH"	80.974872
"1332953"	453.025329	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Cl+NaCOOH"	102.956829
"924984"	463.054086	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M-H+CF3COOH"	112.985586
"1300718"	499.030764	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Cl+CF3COOH"	148.962264
"1376693"	315.055824	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H-2H2O"	-35.012676
"1398373"	333.0658	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H-H2O"	-17.0027
"298537"	701.144276	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+H"	1.007276
"690677"	1051.212776	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+H"	1.007276
"1363741"	351.075776	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H"	1.007276
"138817"	351.075776	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+2H"	2.014552
"569640"	526.110026	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+2H"	2.014552
"1040623"	176.041526	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2H"	2.014552
"209617"	234.386276	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+3H"	3.021828
"646261"	351.075776	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+3H"	3.021828
"1165477"	117.696776	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+3H"	3.021828
"425836"	718.170823	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+NH4"	18.033823
"788288"	1068.239323	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+NH4"	18.033823
"1683160"	368.102323	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+NH4"	18.033823
"333260"	359.5890495	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+H+NH4"	19.041099
"727506"	534.6232995	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+H+NH4"	19.041099
"1478049"	184.5547995	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H+NH4"	19.041099
"405485"	723.126218	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+Na"	22.989218
"766478"	1073.194718	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+Na"	22.989218
"1614576"	373.057718	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Na"	22.989218
"321331"	362.066747	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+H+Na"	23.996494
"710106"	537.100997	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+H+Na"	23.996494
"1473778"	187.032497	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H+Na"	23.996494
"1065202"	125.02409	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2H+Na"	25.00377
"1265786"	383.101986	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+CH3OH+H"	33.033486
"385452"	739.100158	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+K"	38.963158
"746453"	1089.168658	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+K"	38.963158
"1546320"	389.031658	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+K"	38.963158
"301308"	370.053717	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+H+K"	39.970434
"698104"	545.087967	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+H+K"	39.970434
"1450829"	195.019467	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H+K"	39.970434
"236066"	742.170826	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+ACN+H"	42.033826
"1211774"	392.102326	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+ACN+H"	42.033826
"1198573"	196.554801	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+ACN+2H"	43.041102
"192536"	745.10816	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+2Na-H"	44.97116
"632096"	1095.17666	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+2Na-H"	44.97116
"1135237"	395.03966	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2Na-H"	44.97116
"179256"	373.057718	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+2Na"	45.978436
"618815"	548.091968	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+2Na"	45.978436
"1127060"	198.023468	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2Na"	45.978436
"1402928"	132.351404	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H+2Na"	46.985712
"1435408"	397.081246	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H+HCOOH"	47.012746
"225835"	378.09074	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+3H2O+2H"	56.04448
"1512075"	411.13329	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+IsoProp+H"	61.06479
"413583"	381.044688	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+Na+K"	61.952376
"771298"	556.078938	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+Na+K"	61.952376
"1666901"	206.010438	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Na+K"	61.952376
"254876"	764.152768	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+ACN+Na"	64.015768
"1236340"	414.084268	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+ACN+Na"	64.015768
"1726687"	414.107793	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+NH4+HCOOH"	64.039293
"1186572"	139.678718	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+3Na"	68.967654
"1661936"	419.063188	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Na+HCOOH"	68.994688
"169531"	777.05604	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+2K-H"	76.91904
"610915"	1127.12454	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+2K-H"	76.91904
"1091779"	426.98754	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2K-H"	76.91904
"149688"	389.031658	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"2M+2K"	77.926316
"592528"	564.065908	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"3M+2K"	77.926316
"1071579"	213.997408	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2K"	77.926316
"1101749"	429.002092	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2K+H"	78.933592
"1337892"	429.089707	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+DMSO+H"	79.021207
"1008609"	433.128876	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2ACN+H"	83.060376
"1526735"	434.122508	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+IsoProp+Na+H"	84.054008
"991114"	217.068076	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+2ACN+2H"	84.067652
"1588898"	435.037128	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+K+HCOOH"	84.968628
"1414680"	465.068638	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+H+CF3COOH"	115.000138
"1147139"	237.581351	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+3ACN+2H"	125.094202
"1698654"	482.095185	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+NH4+CF3COOH"	132.026685
"1634867"	487.05058	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+Na+CF3COOH"	136.98208
"1572141"	503.02452	"C18895"	"Sulfometuron"	"C14H14N4O5S"	"350.0685"	"M+K+CF3COOH"	152.95602
"813445"	233.178	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M"	0
"982604"	214.15961	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-H2O-H"	-19.01839
"73034"	154.444724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M-3H"	-3.021828
"518522"	232.170724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M-3H"	-3.021828
"894771"	76.718724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-3H"	-3.021828
"10065"	232.170724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M-2H"	-2.014552
"455560"	348.759724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M-2H"	-2.014552
"831443"	115.581724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-2H"	-2.014552
"93013"	465.348724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M-H"	-1.007276
"526982"	698.526724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M-H"	-1.007276
"903689"	232.170724	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-H"	-1.007276
"48223"	482.375271	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M-2H+NH4"	16.019271
"489364"	715.553271	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M-2H+NH4"	16.019271
"866428"	249.197271	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-2H+NH4"	16.019271
"46219"	487.330666	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M-2H+Na"	20.974666
"486189"	720.508666	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M-2H+Na"	20.974666
"863257"	254.152666	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-2H+Na"	20.974666
"1630965"	254.152666	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Na-2H"	20.974666
"106763"	250.159063	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M-H+Cl"	33.962126
"548391"	366.748063	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M-H+Cl"	33.962126
"941665"	133.570063	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-H+Cl"	33.962126
"282166"	501.325402	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+Cl"	34.969402
"670818"	734.503402	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+Cl"	34.969402
"1287596"	268.147402	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Cl"	34.969402
"30397"	503.304606	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M-2H+K"	36.948606
"468616"	736.482606	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M-2H+K"	36.948606
"845326"	270.126606	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-2H+K"	36.948606
"1567357"	270.126606	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+K-2H"	36.948606
"951231"	278.176194	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-H+HCOOH"	44.998194
"369808"	511.354201	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+HCOOH-H"	44.998201
"351871"	525.369851	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+Hac-H"	59.013851
"1499247"	292.191851	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Hac-H"	59.013851
"962057"	300.158151	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-H+NaCOOH"	66.980151
"115335"	268.147402	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+2Cl"	69.938804
"557081"	384.736402	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+2Cl"	69.938804
"1029161"	151.558402	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2Cl"	69.938804
"1252024"	312.096885	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Br"	78.918885
"1317753"	314.152872	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Cl+HCOOH"	80.974872
"1333063"	336.134829	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Cl+NaCOOH"	102.956829
"924122"	346.163586	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M-H+CF3COOH"	112.985586
"1300464"	382.140264	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Cl+CF3COOH"	148.962264
"1376439"	198.165324	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H-2H2O"	-35.012676
"1397960"	216.1753	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H-H2O"	-17.0027
"298543"	467.363276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+H"	1.007276
"689691"	700.541276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+H"	1.007276
"1363851"	234.185276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H"	1.007276
"138563"	234.185276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+2H"	2.014552
"576301"	350.774276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+2H"	2.014552
"1041828"	117.596276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2H"	2.014552
"208634"	156.459276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+3H"	3.021828
"646007"	234.185276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+3H"	3.021828
"1164495"	78.733276	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+3H"	3.021828
"428495"	484.389823	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+NH4"	18.033823
"788034"	717.567823	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+NH4"	18.033823
"1683999"	251.211823	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+NH4"	18.033823
"331548"	242.6985495	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+H+NH4"	19.041099
"727616"	359.2875495	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+H+NH4"	19.041099
"1478279"	126.1095495	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H+NH4"	19.041099
"403411"	489.345218	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+Na"	22.989218
"765495"	722.523218	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+Na"	22.989218
"1612500"	256.167218	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Na"	22.989218
"318161"	245.176247	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+H+Na"	23.996494
"709487"	361.765247	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+H+Na"	23.996494
"1469879"	128.587247	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H+Na"	23.996494
"1062031"	86.06059	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2H+Na"	25.00377
"1261523"	266.211486	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+CH3OH+H"	33.033486
"383376"	505.319158	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+K"	38.963158
"746563"	738.497158	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+K"	38.963158
"1547523"	272.141158	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+K"	38.963158
"305792"	253.163217	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+H+K"	39.970434
"697121"	369.752217	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+H+K"	39.970434
"1447779"	136.574217	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H+K"	39.970434
"237229"	508.389826	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+ACN+H"	42.033826
"1214070"	275.211826	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+ACN+H"	42.033826
"1200141"	138.109551	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+ACN+2H"	43.041102
"194104"	511.32716	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+2Na-H"	44.97116
"632935"	744.50516	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+2Na-H"	44.97116
"1135347"	278.14916	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2Na-H"	44.97116
"179001"	256.167218	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+2Na"	45.978436
"619290"	372.756218	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+2Na"	45.978436
"1126077"	139.578218	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2Na"	45.978436
"1403402"	93.387904	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H+2Na"	46.985712
"1435518"	280.190746	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H+HCOOH"	47.012746
"223026"	261.20024	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+3H2O+2H"	56.04448
"1511821"	294.24279	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+IsoProp+H"	61.06479
"412600"	264.154188	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+Na+K"	61.952376
"770679"	380.743188	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+Na+K"	61.952376
"1668103"	147.565188	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Na+K"	61.952376
"253164"	530.371768	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+ACN+Na"	64.015768
"1236814"	297.193768	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+ACN+Na"	64.015768
"1725703"	297.217293	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+NH4+HCOOH"	64.039293
"1185589"	100.715218	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+3Na"	68.967654
"1660950"	302.172688	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Na+HCOOH"	68.994688
"170368"	543.27504	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+2K-H"	76.91904
"611390"	776.45304	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+2K-H"	76.91904
"1091889"	310.09704	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2K-H"	76.91904
"149798"	272.141158	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"2M+2K"	77.926316
"591545"	388.730158	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"3M+2K"	77.926316
"1073871"	155.552158	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2K"	77.926316
"1102708"	312.111592	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2K+H"	78.933592
"1338362"	312.199207	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+DMSO+H"	79.021207
"1009812"	316.238376	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2ACN+H"	83.060376
"1529031"	317.232008	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+IsoProp+Na+H"	84.054008
"990616"	158.622826	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+2ACN+2H"	84.067652
"1587793"	318.146628	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+K+HCOOH"	84.968628
"1416735"	348.178138	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+H+CF3COOH"	115.000138
"1147183"	179.136101	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+3ACN+2H"	125.094202
"1698764"	365.204685	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+NH4+CF3COOH"	132.026685
"1634897"	370.16008	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+Na+CF3COOH"	136.98208
"1571643"	386.13402	"C18896"	"Tebutam;Butam"	"C15H23NO"	"233.178"	"M+K+CF3COOH"	152.95602
"809181"	258.8761	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M"	0
"978340"	239.85771	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-H2O-H"	-19.01839
"73144"	171.576790666667	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M-3H"	-3.021828
"518096"	257.868824	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M-3H"	-3.021828
"885040"	85.2847573333333	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-3H"	-3.021828
"4708"	257.868824	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M-2H"	-2.014552
"451925"	387.306874	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M-2H"	-2.014552
"830458"	128.430774	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-2H"	-2.014552
"89719"	516.744924	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M-H"	-1.007276
"527092"	775.621024	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M-H"	-1.007276
"897360"	257.868824	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-H"	-1.007276
"47596"	533.771471	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M-2H+NH4"	16.019271
"487318"	792.647571	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M-2H+NH4"	16.019271
"864718"	274.895371	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-2H+NH4"	16.019271
"32253"	538.726866	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M-2H+Na"	20.974666
"471395"	797.602966	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M-2H+Na"	20.974666
"861905"	279.850766	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-2H+Na"	20.974666
"1632777"	279.850766	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Na-2H"	20.974666
"104685"	275.857163	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M-H+Cl"	33.962126
"545338"	405.295213	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M-H+Cl"	33.962126
"937761"	146.419113	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-H+Cl"	33.962126
"277411"	552.721602	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+Cl"	34.969402
"670928"	811.597702	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+Cl"	34.969402
"1284423"	293.845502	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Cl"	34.969402
"26980"	554.700806	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M-2H+K"	36.948606
"463257"	813.576906	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M-2H+K"	36.948606
"843249"	295.824706	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-2H+K"	36.948606
"1564548"	295.824706	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+K-2H"	36.948606
"945874"	303.874294	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-H+HCOOH"	44.998194
"368458"	562.750401	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+HCOOH-H"	44.998201
"350521"	576.766051	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+Hac-H"	59.013851
"1494978"	317.889951	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Hac-H"	59.013851
"965444"	325.856251	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-H+NaCOOH"	66.980151
"113259"	293.845502	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+2Cl"	69.938804
"553181"	423.283552	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+2Cl"	69.938804
"1024532"	164.407452	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2Cl"	69.938804
"1252864"	337.794985	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Br"	78.918885
"1313489"	339.850972	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Cl+HCOOH"	80.974872
"1330986"	361.832929	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Cl+NaCOOH"	102.956829
"923137"	371.861686	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M-H+CF3COOH"	112.985586
"1296564"	407.838364	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Cl+CF3COOH"	148.962264
"1376549"	223.863424	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H-2H2O"	-35.012676
"1396600"	241.8734	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H-H2O"	-17.0027
"297868"	518.759476	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+H"	1.007276
"685427"	777.635576	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+H"	1.007276
"1360681"	259.883376	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H"	1.007276
"136852"	259.883376	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+2H"	2.014552
"572040"	389.321426	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+2H"	2.014552
"1042301"	130.445326	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2H"	2.014552
"208014"	173.591342666667	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+3H"	3.021828
"645753"	259.883376	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+3H"	3.021828
"1162836"	87.2993093333333	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+3H"	3.021828
"424590"	535.786023	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+NH4"	18.033823
"785683"	794.662123	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+NH4"	18.033823
"1681919"	276.909923	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+NH4"	18.033823
"330565"	268.3966495	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+H+NH4"	19.041099
"723108"	397.8346995	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+H+NH4"	19.041099
"1477044"	138.9585995	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H+NH4"	19.041099
"395492"	540.741418	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+Na"	22.989218
"754703"	799.617518	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+Na"	22.989218
"1613703"	281.865318	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Na"	22.989218
"317175"	270.874347	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+H+Na"	23.996494
"711783"	400.312397	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+H+Na"	23.996494
"1472177"	141.436297	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H+Na"	23.996494
"1064329"	94.6266233333333	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2H+Na"	25.00377
"1261633"	291.909586	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+CH3OH+H"	33.033486
"386768"	556.715358	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+K"	38.963158
"746673"	815.591458	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+K"	38.963158
"1549822"	297.839258	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+K"	38.963158
"305904"	278.861317	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+H+K"	39.970434
"696137"	408.299367	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+H+K"	39.970434
"1449956"	149.423267	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H+K"	39.970434
"236124"	559.786026	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+ACN+H"	42.033826
"1216732"	300.909926	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+ACN+H"	42.033826
"1201710"	150.958601	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+ACN+2H"	43.041102
"195674"	562.72336	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+2Na-H"	44.97116
"637055"	821.59946	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+2Na-H"	44.97116
"1137644"	303.84726	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2Na-H"	44.97116
"181663"	281.865318	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+2Na"	45.978436
"617942"	411.303368	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+2Na"	45.978436
"1123634"	152.427268	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2Na"	45.978436
"1403512"	101.953937333333	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H+2Na"	46.985712
"1432348"	305.888846	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H+HCOOH"	47.012746
"223136"	286.89834	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+3H2O+2H"	56.04448
"1515211"	319.94089	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+IsoProp+H"	61.06479
"413438"	289.852288	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+Na+K"	61.952376
"770060"	419.290338	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+Na+K"	61.952376
"1667120"	160.414238	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Na+K"	61.952376
"251692"	581.767968	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+ACN+Na"	64.015768
"1236924"	322.891868	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+ACN+Na"	64.015768
"1721440"	322.915393	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+NH4+HCOOH"	64.039293
"1185699"	109.281251333333	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+3Na"	68.967654
"1657780"	327.870788	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Na+HCOOH"	68.994688
"169019"	594.67124	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+2K-H"	76.91904
"607486"	853.54734	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+2K-H"	76.91904
"1092363"	335.79514	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2K-H"	76.91904
"147721"	297.839258	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"2M+2K"	77.926316
"590561"	427.277308	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"3M+2K"	77.926316
"1071793"	168.401208	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2K"	77.926316
"1110471"	337.809692	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2K+H"	78.933592
"1337136"	337.897307	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+DMSO+H"	79.021207
"1009922"	341.936476	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2ACN+H"	83.060376
"1529141"	342.930108	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+IsoProp+Na+H"	84.054008
"991334"	171.471876	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+2ACN+2H"	84.067652
"1588025"	343.844728	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+K+HCOOH"	84.968628
"1415143"	373.876238	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+H+CF3COOH"	115.000138
"1147295"	191.985151	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+3ACN+2H"	125.094202
"1699238"	390.902785	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+NH4+CF3COOH"	132.026685
"1634886"	395.85818	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+Na+CF3COOH"	136.98208
"1571632"	411.83212	"C18897"	"Tecnazene;2356-Tetrachloro-1-nitrobenzene"	"C6HCl4NO2"	"258.8761"	"M+K+CF3COOH"	152.95602
"809291"	279.1657	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M"	0
"982823"	260.14731	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-H2O-H"	-19.01839
"73254"	185.103190666667	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M-3H"	-3.021828
"517189"	278.158424	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M-3H"	-3.021828
"885150"	92.0479573333333	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-3H"	-3.021828
"3725"	278.158424	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M-2H"	-2.014552
"452035"	417.741274	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M-2H"	-2.014552
"826557"	138.575574	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-2H"	-2.014552
"85454"	557.324124	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M-H"	-1.007276
"526109"	836.489824	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M-H"	-1.007276
"897349"	278.158424	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-H"	-1.007276
"47420"	574.350671	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M-2H+NH4"	16.019271
"487106"	853.516371	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M-2H+NH4"	16.019271
"864946"	295.184971	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-2H+NH4"	16.019271
"31995"	579.306066	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M-2H+Na"	20.974666
"471455"	858.471766	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M-2H+Na"	20.974666
"858735"	300.140366	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-2H+Na"	20.974666
"1630456"	300.140366	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Na-2H"	20.974666
"102608"	296.146763	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M-H+Cl"	33.962126
"544355"	435.729613	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M-H+Cl"	33.962126
"934591"	156.563913	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-H+Cl"	33.962126
"276428"	593.300802	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+Cl"	34.969402
"671038"	872.466502	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+Cl"	34.969402
"1280159"	314.135102	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Cl"	34.969402
"21624"	595.280006	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M-2H+K"	36.948606
"464098"	874.445706	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M-2H+K"	36.948606
"838986"	316.114306	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-2H+K"	36.948606
"1559192"	316.114306	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+K-2H"	36.948606
"948169"	324.163894	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-H+HCOOH"	44.998194
"363466"	603.329601	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+HCOOH-H"	44.998201
"350267"	617.345251	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+Hac-H"	59.013851
"1494365"	338.179551	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Hac-H"	59.013851
"960451"	346.145851	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-H+NaCOOH"	66.980151
"112272"	314.135102	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+2Cl"	69.938804
"556204"	453.717952	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+2Cl"	69.938804
"1028282"	174.552252	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2Cl"	69.938804
"1253338"	358.084585	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Br"	78.918885
"1313599"	360.140572	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Cl+HCOOH"	80.974872
"1328910"	382.122529	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Cl+NaCOOH"	102.956829
"918873"	392.151286	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M-H+CF3COOH"	112.985586
"1293394"	428.127964	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Cl+CF3COOH"	148.962264
"1373743"	244.153024	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H-2H2O"	-35.012676
"1398253"	262.163	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H-H2O"	-17.0027
"297612"	559.338676	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+H"	1.007276
"686630"	838.504376	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+H"	1.007276
"1358604"	280.172976	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H"	1.007276
"136962"	280.172976	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+2H"	2.014552
"573243"	419.755826	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+2H"	2.014552
"1047516"	140.590126	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2H"	2.014552
"208124"	187.117742666667	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+3H"	3.021828
"646229"	280.172976	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+3H"	3.021828
"1162973"	94.0625093333334	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+3H"	3.021828
"424499"	576.365223	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+NH4"	18.033823
"785935"	855.530923	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+NH4"	18.033823
"1681412"	297.199523	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+NH4"	18.033823
"331405"	288.6862495	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+H+NH4"	19.041099
"723379"	428.2690995	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+H+NH4"	19.041099
"1477525"	149.1033995	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H+NH4"	19.041099
"395238"	581.320618	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+Na"	22.989218
"754409"	860.486318	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+Na"	22.989218
"1610532"	302.154918	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Na"	22.989218
"316559"	291.163947	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+H+Na"	23.996494
"708976"	430.746797	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+H+Na"	23.996494
"1469002"	151.581097	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H+Na"	23.996494
"1062249"	101.389823333333	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2H+Na"	25.00377
"1270125"	312.199186	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+CH3OH+H"	33.033486
"385786"	597.294558	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+K"	38.963158
"746783"	876.460258	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+K"	38.963158
"1549933"	318.128858	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+K"	38.963158
"310387"	299.150917	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+H+K"	39.970434
"699526"	438.733767	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+H+K"	39.970434
"1447881"	159.568067	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H+K"	39.970434
"237572"	600.365226	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+ACN+H"	42.033826
"1213926"	321.199526	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+ACN+H"	42.033826
"1199634"	161.103401	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+ACN+2H"	43.041102
"195055"	603.30256	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+2Na-H"	44.97116
"636801"	882.46826	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+2Na-H"	44.97116
"1137754"	324.13686	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2Na-H"	44.97116
"181409"	302.154918	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+2Na"	45.978436
"619146"	441.737768	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+2Na"	45.978436
"1125567"	162.572068	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2Na"	45.978436
"1401435"	108.717137333333	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H+2Na"	46.985712
"1435374"	326.178446	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H+HCOOH"	47.012746
"222030"	307.18794	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+3H2O+2H"	56.04448
"1518601"	340.23049	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+IsoProp+H"	61.06479
"413548"	310.141888	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+Na+K"	61.952376
"770575"	449.724738	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+Na+K"	61.952376
"1667230"	170.559038	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Na+K"	61.952376
"252656"	622.347168	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+ACN+Na"	64.015768
"1226176"	343.181468	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+ACN+Na"	64.015768
"1719361"	343.204993	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+NH4+HCOOH"	64.039293
"1186902"	116.044451333333	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+3Na"	68.967654
"1654610"	348.160388	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Na+HCOOH"	68.994688
"163657"	635.25044	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+2K-H"	76.91904
"605408"	914.41614	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+2K-H"	76.91904
"1089557"	356.08474	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2K-H"	76.91904
"144914"	318.128858	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"2M+2K"	77.926316
"584110"	457.711708	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"3M+2K"	77.926316
"1070811"	178.546008	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2K"	77.926316
"1104020"	358.099292	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2K+H"	78.933592
"1336760"	358.186907	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+DMSO+H"	79.021207
"1010032"	362.226076	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2ACN+H"	83.060376
"1527064"	363.219708	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+IsoProp+Na+H"	84.054008
"990594"	181.616676	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+2ACN+2H"	84.067652
"1588135"	364.134328	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+K+HCOOH"	84.968628
"1415861"	394.165838	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+H+CF3COOH"	115.000138
"1149066"	202.129951	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+3ACN+2H"	125.094202
"1700077"	411.192385	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+NH4+CF3COOH"	132.026685
"1636819"	416.14778	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+Na+CF3COOH"	136.98208
"1571741"	432.12172	"C18898"	"Tiocarbazil;Thiocarbazil"	"C16H25NOS"	"279.1657"	"M+K+CF3COOH"	152.95602
"811588"	345.978	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M"	0
"982933"	326.95961	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-H2O-H"	-19.01839
"76645"	229.644724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M-3H"	-3.021828
"512926"	344.970724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M-3H"	-3.021828
"889634"	114.318724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-3H"	-3.021828
"7115"	344.970724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M-2H"	-2.014552
"453968"	517.959724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M-2H"	-2.014552
"826667"	171.981724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-2H"	-2.014552
"88845"	690.948724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M-H"	-1.007276
"527312"	1036.926724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M-H"	-1.007276
"897459"	344.970724	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-H"	-1.007276
"47934"	707.975271	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M-2H+NH4"	16.019271
"487375"	1053.953271	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M-2H+NH4"	16.019271
"864935"	361.997271	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-2H+NH4"	16.019271
"31870"	712.930666	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M-2H+Na"	20.974666
"471959"	1058.908666	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M-2H+Na"	20.974666
"856659"	366.952666	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-2H+Na"	20.974666
"1627284"	366.952666	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Na-2H"	20.974666
"102717"	362.959063	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M-H+Cl"	33.962126
"545558"	535.948063	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M-H+Cl"	33.962126
"935794"	189.970063	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-H+Cl"	33.962126
"277267"	726.925402	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+Cl"	34.969402
"671148"	1072.903402	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+Cl"	34.969402
"1283550"	380.947402	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Cl"	34.969402
"26107"	728.904606	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M-2H+K"	36.948606
"462384"	1074.882606	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M-2H+K"	36.948606
"840189"	382.926606	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-2H+K"	36.948606
"1563674"	382.926606	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+K-2H"	36.948606
"948278"	390.976194	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-H+HCOOH"	44.998194
"364312"	736.954201	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+HCOOH-H"	44.998201
"348196"	750.969851	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+Hac-H"	59.013851
"1494110"	404.991851	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Hac-H"	59.013851
"959227"	412.958151	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-H+NaCOOH"	66.980151
"113475"	380.947402	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+2Cl"	69.938804
"555220"	553.936402	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+2Cl"	69.938804
"1026935"	207.958402	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2Cl"	69.938804
"1241535"	424.896885	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Br"	78.918885
"1304957"	426.952872	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Cl+HCOOH"	80.974872
"1324644"	448.934829	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Cl+NaCOOH"	102.956829
"914608"	458.963586	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M-H+CF3COOH"	112.985586
"1292410"	494.940264	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Cl+CF3COOH"	148.962264
"1370570"	310.965324	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H-2H2O"	-35.012676
"1395362"	328.9753	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H-H2O"	-17.0027
"295776"	692.963276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+H"	1.007276
"686738"	1038.941276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+H"	1.007276
"1357619"	346.985276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H"	1.007276
"132695"	346.985276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+2H"	2.014552
"573353"	519.974276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+2H"	2.014552
"1042158"	173.996276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2H"	2.014552
"208235"	231.659276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+3H"	3.021828
"647432"	346.985276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+3H"	3.021828
"1165192"	116.333276	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+3H"	3.021828
"425911"	709.989823	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+NH4"	18.033823
"786175"	1055.967823	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+NH4"	18.033823
"1681533"	364.011823	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+NH4"	18.033823
"333336"	355.4985495	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+H+NH4"	19.041099
"724905"	528.4875495	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+H+NH4"	19.041099
"1481042"	182.5095495	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H+NH4"	19.041099
"401548"	714.945218	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+Na"	22.989218
"754883"	1060.923218	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+Na"	22.989218
"1609549"	368.967218	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Na"	22.989218
"317398"	357.976247	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+H+Na"	23.996494
"712006"	530.965247	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+H+Na"	23.996494
"1466925"	184.987247	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H+Na"	23.996494
"1062361"	123.66059	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2H+Na"	25.00377
"1268412"	379.011486	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+CH3OH+H"	33.033486
"385897"	730.919158	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+K"	38.963158
"753336"	1076.897158	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+K"	38.963158
"1551137"	384.941158	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+K"	38.963158
"310498"	365.963217	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+H+K"	39.970434
"700731"	538.952217	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+H+K"	39.970434
"1449083"	192.974217	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H+K"	39.970434
"238413"	733.989826	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+ACN+H"	42.033826
"1214035"	388.011826	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+ACN+H"	42.033826
"1200107"	194.509551	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+ACN+2H"	43.041102
"193706"	736.92716	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+2Na-H"	44.97116
"635818"	1082.90516	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+2Na-H"	44.97116
"1137864"	390.94916	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2Na-H"	44.97116
"177508"	368.967218	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+2Na"	45.978436
"614880"	541.956218	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+2Na"	45.978436
"1121668"	195.978218	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2Na"	45.978436
"1400452"	130.987904	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H+2Na"	46.985712
"1432568"	392.990746	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H+HCOOH"	47.012746
"221898"	374.00024	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+3H2O+2H"	56.04448
"1516889"	407.04279	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+IsoProp+H"	61.06479
"412930"	376.954188	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+Na+K"	61.952376
"770360"	549.943188	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+Na+K"	61.952376
"1668071"	203.965188	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Na+K"	61.952376
"252159"	755.971768	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+ACN+Na"	64.015768
"1225666"	409.993768	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+ACN+Na"	64.015768
"1718378"	410.017293	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+NH4+HCOOH"	64.039293
"1187012"	138.315218	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+3Na"	68.967654
"1655813"	414.972688	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Na+HCOOH"	68.994688
"162674"	768.87504	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+2K-H"	76.91904
"606612"	1114.85304	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+2K-H"	76.91904
"1094771"	422.89704	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2K-H"	76.91904
"149034"	384.941158	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"2M+2K"	77.926316
"587500"	557.930158	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"3M+2K"	77.926316
"1074202"	211.952158	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2K"	77.926316
"1105224"	424.911592	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2K+H"	78.933592
"1337235"	424.999207	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+DMSO+H"	79.021207
"1010138"	429.038376	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2ACN+H"	83.060376
"1524858"	430.032008	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+IsoProp+Na+H"	84.054008
"990009"	215.022826	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+2ACN+2H"	84.067652
"1587018"	430.946628	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+K+HCOOH"	84.968628
"1414754"	460.978138	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+H+CF3COOH"	115.000138
"1149175"	235.536101	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+3ACN+2H"	125.094202
"1698726"	478.004685	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+NH4+CF3COOH"	132.026685
"1638024"	482.96008	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+Na+CF3COOH"	136.98208
"1572581"	498.93402	"C18899"	"Tolylfluanid"	"C10H13Cl2FN2O2S2"	"345.978"	"M+K+CF3COOH"	152.95602
"812791"	381.0743	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M"	0
"983043"	362.05591	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-H2O-H"	-19.01839
"75662"	253.042257333333	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M-3H"	-3.021828
"513036"	380.067024	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M-3H"	-3.021828
"890837"	126.017490666667	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-3H"	-3.021828
"7225"	380.067024	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M-2H"	-2.014552
"442415"	570.604174	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M-2H"	-2.014552
"820217"	189.529874	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-2H"	-2.014552
"85674"	761.141324	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M-H"	-1.007276
"520372"	1142.215624	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M-H"	-1.007276
"895861"	380.067024	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-H"	-1.007276
"47435"	778.167871	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M-2H+NH4"	16.019271
"487609"	1159.242171	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M-2H+NH4"	16.019271
"865774"	397.093571	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-2H+NH4"	16.019271
"33795"	783.123266	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M-2H+Na"	20.974666
"472108"	1164.197566	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M-2H+Na"	20.974666
"856766"	402.048966	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-2H+Na"	20.974666
"1625204"	402.048966	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Na-2H"	20.974666
"102824"	398.055363	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M-H+Cl"	33.962126
"542388"	588.592513	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M-H+Cl"	33.962126
"935904"	207.518213	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-H+Cl"	33.962126
"278470"	797.118002	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+Cl"	34.969402
"667977"	1178.192302	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+Cl"	34.969402
"1282565"	416.043702	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Cl"	34.969402
"25124"	799.097206	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M-2H+K"	36.948606
"465774"	1180.171506	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M-2H+K"	36.948606
"841393"	418.022906	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-2H+K"	36.948606
"1559777"	418.022906	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+K-2H"	36.948606
"950575"	426.072494	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-H+HCOOH"	44.998194
"365515"	807.146801	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+HCOOH-H"	44.998201
"349398"	821.162451	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+Hac-H"	59.013851
"1495313"	440.088151	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Hac-H"	59.013851
"959216"	448.054451	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-H+NaCOOH"	66.980151
"114679"	416.043702	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+2Cl"	69.938804
"559339"	606.580852	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+2Cl"	69.938804
"1028138"	225.506552	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2Cl"	69.938804
"1248447"	459.993185	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Br"	78.918885
"1305066"	462.049172	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Cl+HCOOH"	80.974872
"1324754"	484.031129	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Cl+NaCOOH"	102.956829
"915811"	494.059886	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M-H+CF3COOH"	112.985586
"1293611"	530.036564	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Cl+CF3COOH"	148.962264
"1371772"	346.061624	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H-2H2O"	-35.012676
"1393646"	364.0716	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H-H2O"	-17.0027
"294426"	763.155876	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+H"	1.007276
"681381"	1144.230176	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+H"	1.007276
"1352626"	382.081576	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H"	1.007276
"131710"	382.081576	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+2H"	2.014552
"572371"	572.618726	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+2H"	2.014552
"1043725"	191.544426	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2H"	2.014552
"209073"	255.056809333333	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+3H"	3.021828
"647906"	382.081576	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+3H"	3.021828
"1164937"	128.032042666667	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+3H"	3.021828
"426022"	780.182423	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+NH4"	18.033823
"786285"	1161.256723	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+NH4"	18.033823
"1682008"	399.108123	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+NH4"	18.033823
"332353"	390.5948495	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+H+NH4"	19.041099
"724046"	581.1319995	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+H+NH4"	19.041099
"1480789"	200.0576995	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H+NH4"	19.041099
"401658"	785.137818	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+Na"	22.989218
"755725"	1166.212118	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+Na"	22.989218
"1609659"	404.063518	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Na"	22.989218
"317143"	393.072547	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+H+Na"	23.996494
"713209"	583.609697	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+H+Na"	23.996494
"1467034"	202.535397	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H+Na"	23.996494
"1059186"	135.359356666667	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2H+Na"	25.00377
"1271559"	414.107786	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+CH3OH+H"	33.033486
"389652"	801.111758	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+K"	38.963158
"750277"	1182.186058	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+K"	38.963158
"1553065"	420.037458	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+K"	38.963158
"313158"	401.059517	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+H+K"	39.970434
"701934"	591.596667	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+H+K"	39.970434
"1457577"	210.522367	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H+K"	39.970434
"248363"	804.182426	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+ACN+H"	42.033826
"1213782"	423.108126	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+ACN+H"	42.033826
"1200946"	212.057701	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+ACN+2H"	43.041102
"190900"	807.11976	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+2Na-H"	44.97116
"636657"	1188.19406	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+2Na-H"	44.97116
"1137974"	426.04546	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2Na-H"	44.97116
"178712"	404.063518	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+2Na"	45.978436
"617178"	594.600668	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+2Na"	45.978436
"1126516"	213.526368	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2Na"	45.978436
"1402384"	142.686670666667	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H+2Na"	46.985712
"1432678"	428.087046	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H+HCOOH"	47.012746
"224196"	409.09654	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+3H2O+2H"	56.04448
"1508607"	442.13909	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+IsoProp+H"	61.06479
"413040"	412.050488	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+Na+K"	61.952376
"770512"	602.587638	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+Na+K"	61.952376
"1668181"	221.513338	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Na+K"	61.952376
"252269"	826.164368	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+ACN+Na"	64.015768
"1225706"	445.090068	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+ACN+Na"	64.015768
"1717393"	445.113593	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+NH4+HCOOH"	64.039293
"1182748"	150.013984666667	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+3Na"	68.967654
"1657016"	450.068988	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Na+HCOOH"	68.994688
"163877"	839.06764	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+2K-H"	76.91904
"607814"	1220.14194	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+2K-H"	76.91904
"1094881"	457.99334	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2K-H"	76.91904
"150237"	420.037458	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"2M+2K"	77.926316
"589798"	610.574608	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"3M+2K"	77.926316
"1073216"	229.500308	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2K"	77.926316
"1104240"	460.007892	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2K+H"	78.933592
"1338439"	460.095507	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+DMSO+H"	79.021207
"1008062"	464.134676	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2ACN+H"	83.060376
"1524765"	465.128308	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+IsoProp+Na+H"	84.054008
"989952"	232.570976	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+2ACN+2H"	84.067652
"1587869"	466.042928	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+K+HCOOH"	84.968628
"1414499"	496.074438	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+H+CF3COOH"	115.000138
"1147948"	253.084251	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+3ACN+2H"	125.094202
"1698837"	513.100985	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+NH4+CF3COOH"	132.026685
"1639227"	518.05638	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+Na+CF3COOH"	136.98208
"1573784"	534.03032	"C18900"	"Tribenuron"	"C14H15N5O6S"	"381.0743"	"M+K+CF3COOH"	152.95602
"812901"	492.1039	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M"	0
"987528"	473.08551	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-H2O-H"	-19.01839
"77596"	327.061990666667	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M-3H"	-3.021828
"517520"	491.096624	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M-3H"	-3.021828
"893864"	163.027357333333	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-3H"	-3.021828
"8428"	491.096624	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M-2H"	-2.014552
"442525"	737.148574	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M-2H"	-2.014552
"821420"	245.044674	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-2H"	-2.014552
"86878"	983.200524	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M-H"	-1.007276
"519141"	1475.304424	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M-H"	-1.007276
"897678"	491.096624	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-H"	-1.007276
"47629"	1000.227071	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M-2H+NH4"	16.019271
"487840"	1492.330971	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M-2H+NH4"	16.019271
"865280"	508.123171	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-2H+NH4"	16.019271
"32574"	1005.182466	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M-2H+Na"	20.974666
"472743"	1497.286366	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M-2H+Na"	20.974666
"853596"	513.078566	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-2H+Na"	20.974666
"1626407"	513.078566	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Na-2H"	20.974666
"105122"	509.084963	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M-H+Cl"	33.962126
"545777"	755.136913	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M-H+Cl"	33.962126
"933827"	263.033013	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-H+Cl"	33.962126
"278944"	1019.177202	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+Cl"	34.969402
"668086"	1511.281102	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+Cl"	34.969402
"1280488"	527.073302	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Cl"	34.969402
"23047"	1021.156406	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M-2H+K"	36.948606
"461512"	1513.260306	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M-2H+K"	36.948606
"838222"	529.052506	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-2H+K"	36.948606
"1560616"	529.052506	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+K-2H"	36.948606
"948499"	537.102094	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-H+HCOOH"	44.998194
"365625"	1029.206001	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+HCOOH-H"	44.998201
"348414"	1043.221651	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+Hac-H"	59.013851
"1498338"	551.117751	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Hac-H"	59.013851
"958836"	559.084051	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-H+NaCOOH"	66.980151
"111875"	527.073302	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+2Cl"	69.938804
"552526"	773.125252	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+2Cl"	69.938804
"1027521"	281.021352	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2Cl"	69.938804
"1243456"	571.022785	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Br"	78.918885
"1305299"	573.078772	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Cl+HCOOH"	80.974872
"1324864"	595.060729	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Cl+NaCOOH"	102.956829
"914829"	605.089486	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M-H+CF3COOH"	112.985586
"1292992"	641.066164	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Cl+CF3COOH"	148.962264
"1371885"	457.091224	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H-2H2O"	-35.012676
"1387919"	475.1012	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H-H2O"	-17.0027
"287975"	985.215076	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+H"	1.007276
"677843"	1477.318976	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+H"	1.007276
"1354559"	493.111176	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H"	1.007276
"129634"	493.111176	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+2H"	2.014552
"575762"	739.163126	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+2H"	2.014552
"1041282"	247.059226	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2H"	2.014552
"210276"	329.076542666667	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+3H"	3.021828
"644734"	493.111176	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+3H"	3.021828
"1163588"	165.041909333333	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+3H"	3.021828
"424914"	1002.241623	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+NH4"	18.033823
"787003"	1494.345523	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+NH4"	18.033823
"1684551"	510.137723	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+NH4"	18.033823
"331123"	501.6244495	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+H+NH4"	19.041099
"723222"	747.6763995	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+H+NH4"	19.041099
"1481263"	255.5724995	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H+NH4"	19.041099
"401768"	1007.197018	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+Na"	22.989218
"756200"	1499.300918	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+Na"	22.989218
"1609769"	515.093118	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Na"	22.989218
"318346"	504.102147	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+H+Na"	23.996494
"712226"	750.154097	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+H+Na"	23.996494
"1466052"	258.050197	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H+Na"	23.996494
"1060390"	172.369223333333	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2H+Na"	25.00377
"1270818"	525.137386	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+CH3OH+H"	33.033486
"390853"	1023.170958	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+K"	38.963158
"751482"	1515.274858	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+K"	38.963158
"1554634"	531.067058	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+K"	38.963158
"313920"	512.089117	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+H+K"	39.970434
"704960"	758.141067	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+H+K"	39.970434
"1456958"	266.037167	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H+K"	39.970434
"249202"	1026.241626	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+ACN+H"	42.033826
"1216080"	534.137726	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+ACN+H"	42.033826
"1205066"	267.572501	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+ACN+2H"	43.041102
"198299"	1029.17896	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+2Na-H"	44.97116
"638954"	1521.28286	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+2Na-H"	44.97116
"1142459"	537.07506	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2Na-H"	44.97116
"182468"	515.093118	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+2Na"	45.978436
"619111"	761.145068	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+2Na"	45.978436
"1128449"	269.041168	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2Na"	45.978436
"1403587"	179.696537333333	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H+2Na"	46.985712
"1434610"	539.116646	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H+HCOOH"	47.012746
"224306"	520.12614	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+3H2O+2H"	56.04448
"1509693"	553.16869	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+IsoProp+H"	61.06479
"413150"	523.080088	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+Na+K"	61.952376
"773053"	769.132038	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+Na+K"	61.952376
"1668291"	277.028138	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Na+K"	61.952376
"254810"	1048.223568	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+ACN+Na"	64.015768
"1226548"	556.119668	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+ACN+Na"	64.015768
"1716410"	556.143193	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+NH4+HCOOH"	64.039293
"1179578"	187.023851333333	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+3Na"	68.967654
"1658219"	561.098588	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Na+HCOOH"	68.994688
"162894"	1061.12684	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+2K-H"	76.91904
"607924"	1553.23074	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+2K-H"	76.91904
"1095355"	569.02294	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2K-H"	76.91904
"150348"	531.067058	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"2M+2K"	77.926316
"587721"	777.119008	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"3M+2K"	77.926316
"1069801"	285.015108	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2K"	77.926316
"1105444"	571.037492	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2K+H"	78.933592
"1337454"	571.125107	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+DMSO+H"	79.021207
"1012545"	575.164276	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2ACN+H"	83.060376
"1524594"	576.157908	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+IsoProp+Na+H"	84.054008
"990311"	288.085776	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+2ACN+2H"	84.067652
"1590528"	577.072528	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+K+HCOOH"	84.968628
"1422750"	607.104038	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+H+CF3COOH"	115.000138
"1148178"	308.599051	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+3ACN+2H"	125.094202
"1699312"	624.130585	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+NH4+CF3COOH"	132.026685
"1639338"	629.08598	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+Na+CF3COOH"	136.98208
"1573895"	645.05992	"C18901"	"Triflusulfuron-methyl"	"C17H19F3N6O6S"	"492.1039"	"M+K+CF3COOH"	152.95602
"814106"	127.9377	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M"	0
"988731"	108.91931	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-H2O-H"	-19.01839
"76613"	84.284524	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M-3H"	-3.021828
"516174"	126.930424	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M-3H"	-3.021828
"893246"	41.638624	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-3H"	-3.021828
"10725"	126.930424	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M-2H"	-2.014552
"445915"	190.899274	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M-2H"	-2.014552
"818004"	62.961574	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-2H"	-2.014552
"85894"	254.868124	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M-H"	-1.007276
"521080"	382.805824	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M-H"	-1.007276
"896691"	126.930424	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-H"	-1.007276
"51064"	271.894671	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M-2H+NH4"	16.019271
"489531"	399.832371	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M-2H+NH4"	16.019271
"865027"	143.956971	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-2H+NH4"	16.019271
"32807"	276.850066	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M-2H+Na"	20.974666
"472366"	404.787766	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M-2H+Na"	20.974666
"853705"	148.912366	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-2H+Na"	20.974666
"1626517"	148.912366	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Na-2H"	20.974666
"101952"	144.918763	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M-H+Cl"	33.962126
"545159"	208.887613	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M-H+Cl"	33.962126
"933937"	80.949913	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-H+Cl"	33.962126
"273587"	290.844802	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+Cl"	34.969402
"669290"	418.782502	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+Cl"	34.969402
"1278410"	162.907102	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Cl"	34.969402
"24251"	292.824006	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M-2H+K"	36.948606
"461621"	420.761706	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M-2H+K"	36.948606
"837239"	164.886306	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-2H+K"	36.948606
"1560726"	164.886306	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+K-2H"	36.948606
"947515"	172.935894	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-H+HCOOH"	44.998194
"366829"	300.873601	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+HCOOH-H"	44.998201
"348524"	314.889251	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+Hac-H"	59.013851
"1495896"	186.951551	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Hac-H"	59.013851
"963075"	194.917851	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-H+NaCOOH"	66.980151
"111256"	162.907102	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+2Cl"	69.938804
"553730"	226.875952	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+2Cl"	69.938804
"1027630"	98.938252	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2Cl"	69.938804
"1243930"	206.856585	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Br"	78.918885
"1305165"	208.912572	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Cl+HCOOH"	80.974872
"1321694"	230.894529	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Cl+NaCOOH"	102.956829
"914939"	240.923286	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M-H+CF3COOH"	112.985586
"1294924"	276.899964	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Cl+CF3COOH"	148.962264
"1370902"	92.925024	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H-2H2O"	-35.012676
"1388394"	110.935	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H-H2O"	-17.0027
"288085"	256.882676	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+H"	1.007276
"678318"	384.820376	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+H"	1.007276
"1355762"	128.944976	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H"	1.007276
"129744"	128.944976	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+2H"	2.014552
"578059"	192.913826	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+2H"	2.014552
"1038838"	64.976126	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2H"	2.014552
"212573"	86.299076	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+3H"	3.021828
"646669"	128.944976	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+3H"	3.021828
"1163129"	43.653176	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+3H"	3.021828
"424416"	273.909223	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+NH4"	18.033823
"787356"	401.846923	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+NH4"	18.033823
"1681618"	145.971523	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+NH4"	18.033823
"338038"	137.4582495	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+H+NH4"	19.041099
"723452"	201.4270995	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+H+NH4"	19.041099
"1481373"	73.4893995	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H+NH4"	19.041099
"401878"	278.864618	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+Na"	22.989218
"755581"	406.802318	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+Na"	22.989218
"1609879"	150.926918	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Na"	22.989218
"318822"	139.935947	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+H+Na"	23.996494
"715616"	203.904797	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+H+Na"	23.996494
"1465068"	75.967097	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H+Na"	23.996494
"1059407"	50.98049	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2H+Na"	25.00377
"1267648"	160.971186	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+CH3OH+H"	33.033486
"389504"	294.838558	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+K"	38.963158
"746125"	422.776258	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+K"	38.963158
"1555109"	166.900858	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+K"	38.963158
"314241"	147.922917	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+H+K"	39.970434
"705070"	211.891767	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+H+K"	39.970434
"1459620"	83.954067	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H+K"	39.970434
"248583"	297.909226	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+ACN+H"	42.033826
"1218378"	169.971526	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+ACN+H"	42.033826
"1202260"	85.489401	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+ACN+2H"	43.041102
"199503"	300.84656	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+2Na-H"	44.97116
"634688"	428.78426	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+2Na-H"	44.97116
"1142569"	172.90886	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2Na-H"	44.97116
"183671"	150.926918	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+2Na"	45.978436
"619950"	214.895768	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+2Na"	45.978436
"1128923"	86.958068	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2Na"	45.978436
"1403697"	58.307804	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H+2Na"	46.985712
"1435813"	174.950446	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H+HCOOH"	47.012746
"224416"	155.95994	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+3H2O+2H"	56.04448
"1509318"	189.00249	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+IsoProp+H"	61.06479
"416540"	158.913888	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+Na+K"	61.952376
"772433"	222.882738	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+Na+K"	61.952376
"1667185"	94.945038	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Na+K"	61.952376
"254920"	319.891168	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+ACN+Na"	64.015768
"1227022"	191.953468	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+ACN+Na"	64.015768
"1716518"	191.976993	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+NH4+HCOOH"	64.039293
"1179320"	65.635118	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+3Na"	68.967654
"1656141"	196.932388	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Na+HCOOH"	68.994688
"164096"	332.79444	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+2K-H"	76.91904
"604752"	460.73214	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+2K-H"	76.91904
"1092548"	204.85674	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2K-H"	76.91904
"150458"	166.900858	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"2M+2K"	77.926316
"587831"	230.869708	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"3M+2K"	77.926316
"1071611"	102.932008	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2K"	77.926316
"1102633"	206.871292	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2K+H"	78.933592
"1337685"	206.958907	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+DMSO+H"	79.021207
"1011561"	210.998076	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2ACN+H"	83.060376
"1526528"	211.991708	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+IsoProp+Na+H"	84.054008
"991268"	106.002676	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+2ACN+2H"	84.067652
"1590638"	212.906328	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+K+HCOOH"	84.968628
"1422860"	242.937838	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+H+CF3COOH"	115.000138
"1147923"	126.515951	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+3ACN+2H"	125.094202
"1701609"	259.964385	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+NH4+CF3COOH"	132.026685
"1639448"	264.91978	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+Na+CF3COOH"	136.98208
"1572911"	280.89372	"C18902"	"Methylselenic acid;Methylseleninate"	"CH4O2Se"	"127.9377"	"M+K+CF3COOH"	152.95602
"815917"	335.0247	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M"	0
"989629"	316.00631	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-H2O-H"	-19.01839
"75993"	222.342524	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M-3H"	-3.021828
"515920"	334.017424	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M-3H"	-3.021828
"892994"	110.667624	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-3H"	-3.021828
"8649"	334.017424	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M-2H"	-2.014552
"448211"	501.529774	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M-2H"	-2.014552
"817993"	166.505074	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-2H"	-2.014552
"86004"	669.042124	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M-H"	-1.007276
"520097"	1004.066824	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M-H"	-1.007276
"896029"	334.017424	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-H"	-1.007276
"48988"	686.068671	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M-2H+NH4"	16.019271
"488913"	1021.093371	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M-2H+NH4"	16.019271
"864773"	351.043971	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-2H+NH4"	16.019271
"32187"	691.024066	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M-2H+Na"	20.974666
"472031"	1026.048766	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M-2H+Na"	20.974666
"852722"	355.999366	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-2H+Na"	20.974666
"1626627"	355.999366	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Na-2H"	20.974666
"99875"	352.005763	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M-H+Cl"	33.962126
"543810"	519.518113	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M-H+Cl"	33.962126
"936232"	184.493413	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-H+Cl"	33.962126
"274788"	705.018802	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+Cl"	34.969402
"667212"	1040.043502	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+Cl"	34.969402
"1280708"	369.994102	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Cl"	34.969402
"21078"	706.998006	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M-2H+K"	36.948606
"459908"	1042.022706	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M-2H+K"	36.948606
"836256"	371.973306	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-2H+K"	36.948606
"1559743"	371.973306	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+K-2H"	36.948606
"947626"	380.022894	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-H+HCOOH"	44.998194
"366939"	715.047601	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+HCOOH-H"	44.998201
"347541"	729.063251	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+Hac-H"	59.013851
"1495279"	394.038551	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Hac-H"	59.013851
"961728"	402.004851	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-H+NaCOOH"	66.980151
"111242"	369.994102	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+2Cl"	69.938804
"552747"	537.506452	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+2Cl"	69.938804
"1024462"	202.481752	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2Cl"	69.938804
"1243308"	413.943585	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Br"	78.918885
"1304305"	415.999572	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Cl+HCOOH"	80.974872
"1323991"	437.981529	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Cl+NaCOOH"	102.956829
"915049"	448.010286	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M-H+CF3COOH"	112.985586
"1291755"	483.986964	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Cl+CF3COOH"	148.962264
"1371012"	300.012024	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H-2H2O"	-35.012676
"1384860"	318.022	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H-H2O"	-17.0027
"288195"	671.056676	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+H"	1.007276
"678792"	1006.081376	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+H"	1.007276
"1354779"	336.031976	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H"	1.007276
"127667"	336.031976	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+2H"	2.014552
"573790"	503.544326	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+2H"	2.014552
"1038947"	168.519626	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2H"	2.014552
"208673"	224.357076	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+3H"	3.021828
"647872"	336.031976	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+3H"	3.021828
"1164171"	112.682176	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+3H"	3.021828
"424649"	688.083223	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+NH4"	18.033823
"786980"	1023.107923	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+NH4"	18.033823
"1681608"	353.058523	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+NH4"	18.033823
"338148"	344.5452495	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+H+NH4"	19.041099
"723279"	512.0575995	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+H+NH4"	19.041099
"1479656"	177.0328995	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H+NH4"	19.041099
"398707"	693.038618	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+Na"	22.989218
"756056"	1028.063318	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+Na"	22.989218
"1611083"	358.013918	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Na"	22.989218
"320026"	347.022947	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+H+Na"	23.996494
"713539"	514.535297	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+H+Na"	23.996494
"1464449"	179.510597	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H+Na"	23.996494
"1058424"	120.00949	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2H+Na"	25.00377
"1267758"	368.058186	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+CH3OH+H"	33.033486
"384145"	709.012558	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+K"	38.963158
"746235"	1044.037258	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+K"	38.963158
"1549383"	373.987858	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+K"	38.963158
"309112"	355.009917	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+H+K"	39.970434
"706641"	522.522267	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+H+K"	39.970434
"1460338"	187.497567	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H+K"	39.970434
"246870"	712.083226	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+ACN+H"	42.033826
"1218488"	377.058526	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+ACN+H"	42.033826
"1202369"	189.032901	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+ACN+2H"	43.041102
"199249"	715.02056	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+2Na-H"	44.97116
"634798"	1050.04526	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+2Na-H"	44.97116
"1141584"	379.99586	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2Na-H"	44.97116
"182688"	358.013918	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+2Na"	45.978436
"619695"	525.526268	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+2Na"	45.978436
"1126847"	190.501568	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2Na"	45.978436
"1403806"	127.336804	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H+2Na"	46.985712
"1434465"	382.037446	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H+HCOOH"	47.012746
"224526"	363.04694	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+3H2O+2H"	56.04448
"1511128"	396.08949	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+IsoProp+H"	61.06479
"416650"	366.000888	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+Na+K"	61.952376
"774730"	533.513238	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+Na+K"	61.952376
"1668511"	198.488538	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Na+K"	61.952376
"256123"	734.065168	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+ACN+Na"	64.015768
"1227375"	399.040468	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+ACN+Na"	64.015768
"1716628"	399.063993	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+NH4+HCOOH"	64.039293
"1180889"	134.664118	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+3Na"	68.967654
"1651510"	404.019388	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Na+HCOOH"	68.994688
"162019"	746.96844	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+2K-H"	76.91904
"602675"	1081.99314	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+2K-H"	76.91904
"1090470"	411.94374	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2K-H"	76.91904
"150567"	373.987858	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"2M+2K"	77.926316
"589034"	541.500208	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"3M+2K"	77.926316
"1072814"	206.475508	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2K"	77.926316
"1105658"	413.958292	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2K+H"	78.933592
"1337795"	414.045907	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+DMSO+H"	79.021207
"1011671"	418.085076	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2ACN+H"	83.060376
"1526517"	419.078708	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+IsoProp+Na+H"	84.054008
"991258"	209.546176	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+2ACN+2H"	84.067652
"1587583"	419.993328	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+K+HCOOH"	84.968628
"1419690"	450.024838	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+H+CF3COOH"	115.000138
"1148156"	230.059451	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+3ACN+2H"	125.094202
"1701721"	467.051385	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+NH4+CF3COOH"	132.026685
"1639558"	472.00678	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+Na+CF3COOH"	136.98208
"1574115"	487.98072	"C18903"	"Zoxamide"	"C14H16Cl3NO2"	"335.0247"	"M+K+CF3COOH"	152.95602
"815420"	181.9482	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M"	0
"987859"	162.92981	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-H2O-H"	-19.01839
"77686"	120.291524	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M-3H"	-3.021828
"516760"	180.940924	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M-3H"	-3.021828
"892375"	59.642124	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-3H"	-3.021828
"10949"	180.940924	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M-2H"	-2.014552
"442855"	271.915024	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M-2H"	-2.014552
"820658"	89.966824	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-2H"	-2.014552
"86115"	362.889124	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M-H"	-1.007276
"520207"	544.837324	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M-H"	-1.007276
"895656"	180.940924	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-H"	-1.007276
"47231"	379.915671	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M-2H+NH4"	16.019271
"487247"	561.863871	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M-2H+NH4"	16.019271
"864394"	197.967471	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-2H+NH4"	16.019271
"31684"	384.871066	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M-2H+Na"	20.974666
"471898"	566.819266	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M-2H+Na"	20.974666
"855019"	202.922866	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-2H+Na"	20.974666
"1626737"	202.922866	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Na-2H"	20.974666
"99985"	198.929263	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M-H+Cl"	33.962126
"541733"	289.903363	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M-H+Cl"	33.962126
"935248"	107.955163	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-H+Cl"	33.962126
"274898"	398.865802	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+Cl"	34.969402
"667322"	580.814002	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+Cl"	34.969402
"1280816"	216.917602	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Cl"	34.969402
"21551"	400.845006	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M-2H+K"	36.948606
"460747"	582.793206	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M-2H+K"	36.948606
"836366"	218.896806	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-2H+K"	36.948606
"1558760"	218.896806	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+K-2H"	36.948606
"947736"	226.946394	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-H+HCOOH"	44.998194
"365956"	408.894601	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+HCOOH-H"	44.998201
"347652"	422.910251	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+Hac-H"	59.013851
"1494296"	240.962051	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Hac-H"	59.013851
"961838"	248.928351	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-H+NaCOOH"	66.980151
"111112"	216.917602	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+2Cl"	69.938804
"550671"	307.891702	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+2Cl"	69.938804
"1025665"	125.943502	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2Cl"	69.938804
"1241639"	260.867085	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Br"	78.918885
"1305871"	262.923072	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Cl+HCOOH"	80.974872
"1325195"	284.905029	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Cl+NaCOOH"	102.956829
"917346"	294.933786	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M-H+CF3COOH"	112.985586
"1292958"	330.910464	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Cl+CF3COOH"	148.962264
"1371122"	146.935524	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H-2H2O"	-35.012676
"1388614"	164.9455	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H-H2O"	-17.0027
"288305"	364.903676	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+H"	1.007276
"678538"	546.851876	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+H"	1.007276
"1354889"	182.955476	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H"	1.007276
"128870"	182.955476	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+2H"	2.014552
"572807"	273.929576	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+2H"	2.014552
"1039786"	91.981376	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2H"	2.014552
"210606"	122.306076	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+3H"	3.021828
"646160"	182.955476	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+3H"	3.021828
"1163673"	61.656676	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+3H"	3.021828
"424334"	381.930223	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+NH4"	18.033823
"787090"	563.878423	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+NH4"	18.033823
"1681838"	199.982023	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+NH4"	18.033823
"338258"	191.4687495	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+H+NH4"	19.041099
"724240"	282.4428495	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+H+NH4"	19.041099
"1479767"	100.4946495	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H+NH4"	19.041099
"398817"	386.885618	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+Na"	22.989218
"756530"	568.833818	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+Na"	22.989218
"1612286"	204.937418	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Na"	22.989218
"323416"	193.946447	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+H+Na"	23.996494
"712556"	284.920547	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+H+Na"	23.996494
"1467475"	102.972347	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H+Na"	23.996494
"1060720"	68.98399	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2H+Na"	25.00377
"1269327"	214.981686	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+CH3OH+H"	33.033486
"384255"	402.859558	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+K"	38.963158
"749625"	584.807758	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+K"	38.963158
"1549493"	220.911358	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+K"	38.963158
"309586"	201.933417	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+H+K"	39.970434
"705654"	292.907517	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+H+K"	39.970434
"1458747"	110.959317	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H+K"	39.970434
"246616"	405.930226	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+ACN+H"	42.033826
"1220419"	223.982026	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+ACN+H"	42.033826
"1201385"	112.494651	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+ACN+2H"	43.041102
"199359"	408.86756	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+2Na-H"	44.97116
"633815"	590.81576	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+2Na-H"	44.97116
"1141694"	226.91936	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2Na-H"	44.97116
"176599"	204.937418	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+2Na"	45.978436
"616159"	295.911518	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+2Na"	45.978436
"1122582"	113.963318	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2Na"	45.978436
"1403188"	76.311304	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H+2Na"	46.985712
"1433847"	228.960946	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H+HCOOH"	47.012746
"220216"	209.97044	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+3H2O+2H"	56.04448
"1510509"	243.01299	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+IsoProp+H"	61.06479
"416760"	212.924388	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+Na+K"	61.952376
"774476"	303.898488	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+Na+K"	61.952376
"1668618"	121.950288	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Na+K"	61.952376
"254409"	427.912168	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+ACN+Na"	64.015768
"1226757"	245.963968	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+ACN+Na"	64.015768
"1714916"	245.987493	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+NH4+HCOOH"	64.039293
"1180270"	83.638618	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+3Na"	68.967654
"1649964"	250.942888	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Na+HCOOH"	68.994688
"158724"	440.81544	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+2K-H"	76.91904
"600962"	622.76364	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+2K-H"	76.91904
"1086935"	258.86724	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2K-H"	76.91904
"149584"	220.911358	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"2M+2K"	77.926316
"590237"	311.885458	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"3M+2K"	77.926316
"1069643"	129.937258	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2K"	77.926316
"1101880"	260.881792	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2K+H"	78.933592
"1337784"	260.969407	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+DMSO+H"	79.021207
"1011781"	265.008576	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2ACN+H"	83.060376
"1526628"	266.002208	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+IsoProp+Na+H"	84.054008
"995262"	133.007926	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+2ACN+2H"	84.067652
"1588064"	266.916828	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+K+HCOOH"	84.968628
"1420893"	296.948338	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+H+CF3COOH"	115.000138
"1150091"	153.521201	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+3ACN+2H"	125.094202
"1701831"	313.974885	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+NH4+CF3COOH"	132.026685
"1639668"	318.93028	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+Na+CF3COOH"	136.98208
"1573132"	334.90422	"C18904"	"Methylselenopyruvate;beta-Methylselenopyruvate"	"C4H6O3Se"	"181.9482"	"M+K+CF3COOH"	152.95602
"816586"	198.9748	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M"	0
"989470"	179.95641	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-H2O-H"	-19.01839
"78167"	131.642590666667	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M-3H"	-3.021828
"518046"	197.967524	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M-3H"	-3.021828
"894551"	65.3176573333333	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-3H"	-3.021828
"13243"	197.967524	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M-2H"	-2.014552
"448431"	297.454924	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M-2H"	-2.014552
"827328"	98.480124	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-2H"	-2.014552
"90236"	396.942324	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M-H"	-1.007276
"520318"	595.917124	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M-H"	-1.007276
"895963"	197.967524	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-H"	-1.007276
"47872"	413.968871	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M-2H+NH4"	16.019271
"487714"	612.943671	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M-2H+NH4"	16.019271
"864867"	214.994071	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-2H+NH4"	16.019271
"32037"	418.924266	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M-2H+Na"	20.974666
"472335"	617.899066	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M-2H+Na"	20.974666
"859503"	219.949466	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-2H+Na"	20.974666
"1631950"	219.949466	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Na-2H"	20.974666
"108114"	215.955863	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M-H+Cl"	33.962126
"545123"	315.443263	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M-H+Cl"	33.962126
"938638"	116.468463	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-H+Cl"	33.962126
"279382"	432.919002	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+Cl"	34.969402
"670712"	631.893802	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+Cl"	34.969402
"1283112"	233.944202	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Cl"	34.969402
"23485"	434.898206	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M-2H+K"	36.948606
"461220"	633.873006	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M-2H+K"	36.948606
"836835"	235.923406	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-2H+K"	36.948606
"1558870"	235.923406	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+K-2H"	36.948606
"946387"	243.972994	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-H+HCOOH"	44.998194
"368253"	442.947801	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+HCOOH-H"	44.998201
"348855"	456.963451	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+Hac-H"	59.013851
"1495498"	257.988651	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Hac-H"	59.013851
"963041"	265.954951	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-H+NaCOOH"	66.980151
"113410"	233.944202	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+2Cl"	69.938804
"552604"	333.431602	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+2Cl"	69.938804
"1025775"	134.456802	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2Cl"	69.938804
"1244261"	277.893685	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Br"	78.918885
"1309989"	279.949672	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Cl+HCOOH"	80.974872
"1328585"	301.931629	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Cl+NaCOOH"	102.956829
"918549"	311.960386	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M-H+CF3COOH"	112.985586
"1293069"	347.937064	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Cl+CF3COOH"	148.962264
"1372325"	163.962124	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H-2H2O"	-35.012676
"1388725"	181.9721	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H-H2O"	-17.0027
"287320"	398.956876	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+H"	1.007276
"680835"	597.931676	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+H"	1.007276
"1358276"	199.982076	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H"	1.007276
"131165"	199.982076	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+2H"	2.014552
"576197"	299.469476	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+2H"	2.014552
"1041720"	100.494676	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2H"	2.014552
"208893"	133.657142666667	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+3H"	3.021828
"648093"	199.982076	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+3H"	3.021828
"1164758"	67.3322093333333	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+3H"	3.021828
"426201"	415.983423	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+NH4"	18.033823
"789022"	614.958223	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+NH4"	18.033823
"1684258"	217.008623	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+NH4"	18.033823
"336181"	208.4953495	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+H+NH4"	19.041099
"724594"	307.9827495	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+H+NH4"	19.041099
"1484617"	109.0079495	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H+NH4"	19.041099
"400021"	420.938818	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+Na"	22.989218
"756640"	619.913618	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+Na"	22.989218
"1604373"	221.964018	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Na"	22.989218
"316955"	210.973047	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+H+Na"	23.996494
"714852"	310.460447	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+H+Na"	23.996494
"1468679"	111.485647	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H+Na"	23.996494
"1061923"	74.6595233333333	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2H+Na"	25.00377
"1264695"	232.008286	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+CH3OH+H"	33.033486
"385456"	436.912758	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+K"	38.963158
"749735"	635.887558	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+K"	38.963158
"1550695"	237.937958	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+K"	38.963158
"310060"	218.960017	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+H+K"	39.970434
"705279"	318.447417	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+H+K"	39.970434
"1460074"	119.472617	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H+K"	39.970434
"249280"	439.983426	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+ACN+H"	42.033826
"1225151"	241.008626	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+ACN+H"	42.033826
"1206964"	121.007951	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+ACN+2H"	43.041102
"201292"	442.92076	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+2Na-H"	44.97116
"635018"	641.89556	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+2Na-H"	44.97116
"1141804"	243.94596	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2Na-H"	44.97116
"176344"	221.964018	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+2Na"	45.978436
"614810"	321.451418	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+2Na"	45.978436
"1123785"	122.476618	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2Na"	45.978436
"1404026"	81.9868373333333	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H+2Na"	46.985712
"1435414"	245.987546	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H+HCOOH"	47.012746
"221098"	226.99704	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+3H2O+2H"	56.04448
"1509526"	260.03959	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+IsoProp+H"	61.06479
"413590"	229.950988	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+Na+K"	61.952376
"773855"	329.438388	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+Na+K"	61.952376
"1668363"	130.463588	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Na+K"	61.952376
"254521"	461.965368	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+ACN+Na"	64.015768
"1230149"	262.990568	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+ACN+Na"	64.015768
"1717943"	263.014093	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+NH4+HCOOH"	64.039293
"1182204"	89.3141513333333	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+3Na"	68.967654
"1650312"	267.969488	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Na+HCOOH"	68.994688
"160417"	474.86864	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+2K-H"	76.91904
"605083"	673.84344	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+2K-H"	76.91904
"1092514"	275.89384	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2K-H"	76.91904
"150427"	237.937958	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"2M+2K"	77.926316
"589623"	337.425358	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"3M+2K"	77.926316
"1072673"	138.450558	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2K"	77.926316
"1104790"	277.908392	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2K+H"	78.933592
"1344455"	277.996007	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+DMSO+H"	79.021207
"1015903"	282.035176	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2ACN+H"	83.060376
"1534759"	283.028808	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+IsoProp+Na+H"	84.054008
"996467"	141.521226	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+2ACN+2H"	84.067652
"1593157"	283.943428	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+K+HCOOH"	84.968628
"1421003"	313.974938	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+H+CF3COOH"	115.000138
"1156765"	162.034501	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+3ACN+2H"	125.094202
"1707409"	331.001485	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+NH4+CF3COOH"	132.026685
"1641965"	335.95688	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+Na+CF3COOH"	136.98208
"1574335"	351.93082	"C18905"	"Methylselenocysteine Se-oxide;Methylselenocysteine selenooxide"	"C4H9NO3Se"	"198.9748"	"M+K+CF3COOH"	152.95602
"814547"	222.0674	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M"	0
"986983"	203.04901	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-H2O-H"	-19.01839
"74135"	147.037657333333	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M-3H"	-3.021828
"516977"	221.060124	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M-3H"	-3.021828
"894657"	73.0151906666667	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-3H"	-3.021828
"10072"	221.060124	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M-2H"	-2.014552
"448541"	332.093824	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M-2H"	-2.014552
"826345"	110.026424	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-2H"	-2.014552
"88523"	443.127524	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M-H"	-1.007276
"519210"	665.194924	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M-H"	-1.007276
"896281"	221.060124	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-H"	-1.007276
"47326"	460.154071	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M-2H+NH4"	16.019271
"487786"	682.221471	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M-2H+NH4"	16.019271
"864371"	238.086671	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-2H+NH4"	16.019271
"31909"	465.109466	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M-2H+Na"	20.974666
"472684"	687.176866	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M-2H+Na"	20.974666
"861799"	243.042066	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-2H+Na"	20.974666
"1632060"	243.042066	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Na-2H"	20.974666
"107495"	239.048463	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M-H+Cl"	33.962126
"545233"	350.082163	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M-H+Cl"	33.962126
"937655"	128.014763	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-H+Cl"	33.962126
"279492"	479.104202	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+Cl"	34.969402
"670822"	701.171602	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+Cl"	34.969402
"1284316"	257.036802	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Cl"	34.969402
"23595"	481.083406	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M-2H+K"	36.948606
"462060"	703.150806	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M-2H+K"	36.948606
"837674"	259.016006	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-2H+K"	36.948606
"1558977"	259.016006	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+K-2H"	36.948606
"945401"	267.065594	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-H+HCOOH"	44.998194
"362527"	489.133001	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+HCOOH-H"	44.998201
"348965"	503.148651	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+Hac-H"	59.013851
"1494514"	281.081251	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Hac-H"	59.013851
"963152"	289.047551	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-H+NaCOOH"	66.980151
"111696"	257.036802	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+2Cl"	69.938804
"552713"	368.070502	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+2Cl"	69.938804
"1026613"	146.003102	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2Cl"	69.938804
"1246558"	300.986285	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Br"	78.918885
"1310099"	303.042272	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Cl+HCOOH"	80.974872
"1323228"	325.024229	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Cl+NaCOOH"	102.956829
"918659"	335.052986	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M-H+CF3COOH"	112.985586
"1295364"	371.029664	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Cl+CF3COOH"	148.962264
"1372799"	187.054724	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H-2H2O"	-35.012676
"1395396"	205.0647	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H-H2O"	-17.0027
"290709"	445.142076	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+H"	1.007276
"684224"	667.209476	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+H"	1.007276
"1357292"	223.074676	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H"	1.007276
"132369"	223.074676	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+2H"	2.014552
"576307"	334.108376	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+2H"	2.014552
"1040006"	112.040976	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2H"	2.014552
"207177"	149.052209333333	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+3H"	3.021828
"645649"	223.074676	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+3H"	3.021828
"1163892"	75.0297426666667	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+3H"	3.021828
"425581"	462.168623	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+NH4"	18.033823
"786576"	684.236023	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+NH4"	18.033823
"1682544"	240.101223	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+NH4"	18.033823
"336291"	231.5879495	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+H+NH4"	19.041099
"723364"	342.6216495	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+H+NH4"	19.041099
"1480351"	120.5542495	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H+NH4"	19.041099
"399037"	467.124018	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+Na"	22.989218
"756750"	689.191418	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+Na"	22.989218
"1605574"	245.056618	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Na"	22.989218
"315485"	234.065647	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+H+Na"	23.996494
"714962"	345.099347	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+H+Na"	23.996494
"1469882"	123.031947	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H+Na"	23.996494
"1060940"	82.3570566666667	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2H+Na"	25.00377
"1263712"	255.100886	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+CH3OH+H"	33.033486
"384473"	483.097958	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+K"	38.963158
"750938"	705.165358	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+K"	38.963158
"1549712"	261.030558	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+K"	38.963158
"310170"	242.052617	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+H+K"	39.970434
"701498"	353.086317	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+H+K"	39.970434
"1459329"	131.018917	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H+K"	39.970434
"248298"	486.168626	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+ACN+H"	42.033826
"1225382"	264.101226	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+ACN+H"	42.033826
"1205979"	132.554251	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+ACN+2H"	43.041102
"201036"	489.10596	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+2Na-H"	44.97116
"635128"	711.17336	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+2Na-H"	44.97116
"1141914"	267.03856	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2Na-H"	44.97116
"177914"	245.056618	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+2Na"	45.978436
"614920"	356.090318	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+2Na"	45.978436
"1122802"	134.022918	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2Na"	45.978436
"1403407"	89.6843706666667	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H+2Na"	46.985712
"1433702"	269.080146	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H+HCOOH"	47.012746
"221208"	250.08964	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+3H2O+2H"	56.04448
"1510000"	283.13219	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+H"	61.06479
"412971"	253.043588	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+Na+K"	61.952376
"773600"	364.077288	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+Na+K"	61.952376
"1670295"	142.009888	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Na+K"	61.952376
"254266"	508.150568	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+ACN+Na"	64.015768
"1230259"	286.083168	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+ACN+Na"	64.015768
"1718053"	286.106693	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+NH4+HCOOH"	64.039293
"1181949"	97.0116846666667	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+3Na"	68.967654
"1650542"	291.062088	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Na+HCOOH"	68.994688
"160891"	521.05384	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+2K-H"	76.91904
"605193"	743.12124	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+2K-H"	76.91904
"1091895"	298.98644	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2K-H"	76.91904
"150902"	261.030558	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"2M+2K"	77.926316
"592648"	372.064258	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"3M+2K"	77.926316
"1072783"	149.996858	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2K"	77.926316
"1104900"	301.000992	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2K+H"	78.933592
"1344565"	301.088607	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+DMSO+H"	79.021207
"1014190"	305.127776	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2ACN+H"	83.060376
"1534501"	306.121408	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+IsoProp+Na+H"	84.054008
"994388"	153.067526	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+2ACN+2H"	84.067652
"1593266"	307.036028	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+K+HCOOH"	84.968628
"1422207"	337.067538	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+H+CF3COOH"	115.000138
"1156869"	173.580801	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+3ACN+2H"	125.094202
"1710435"	354.094085	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+NH4+CF3COOH"	132.026685
"1642075"	359.04948	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+Na+CF3COOH"	136.98208
"1573352"	375.02342	"C18906"	"Aldoxycarb"	"C7H14N2O4S"	"222.0674"	"M+K+CF3COOH"	152.95602
"817075"	322.9807	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M"	0
"989914"	303.96231	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-H2O-H"	-19.01839
"77162"	214.313190666667	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M-3H"	-3.021828
"512712"	321.973424	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M-3H"	-3.021828
"895571"	106.652957333333	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-3H"	-3.021828
"13465"	321.973424	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M-2H"	-2.014552
"453027"	483.463774	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M-2H"	-2.014552
"827549"	160.483074	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-2H"	-2.014552
"89727"	644.954124	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M-H"	-1.007276
"523820"	967.934824	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M-H"	-1.007276
"899434"	321.973424	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-H"	-1.007276
"49799"	661.980671	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M-2H+NH4"	16.019271
"487775"	984.961371	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M-2H+NH4"	16.019271
"865823"	338.999971	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-2H+NH4"	16.019271
"36885"	666.936066	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M-2H+Na"	20.974666
"475352"	989.916766	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M-2H+Na"	20.974666
"860816"	343.955366	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-2H+Na"	20.974666
"1630347"	343.955366	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Na-2H"	20.974666
"107969"	339.961763	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M-H+Cl"	33.962126
"548512"	501.452113	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M-H+Cl"	33.962126
"938863"	178.471413	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-H+Cl"	33.962126
"282288"	680.930802	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+Cl"	34.969402
"674946"	1003.911502	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+Cl"	34.969402
"1284433"	357.950102	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Cl"	34.969402
"21520"	682.910006	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M-2H+K"	36.948606
"459255"	1005.890706	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M-2H+K"	36.948606
"835606"	359.929306	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-2H+K"	36.948606
"1557271"	359.929306	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+K-2H"	36.948606
"944058"	367.978894	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-H+HCOOH"	44.998194
"362638"	690.959601	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+HCOOH-H"	44.998201
"349080"	704.975251	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+Hac-H"	59.013851
"1495721"	381.994551	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Hac-H"	59.013851
"967644"	389.960851	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-H+NaCOOH"	66.980151
"122749"	357.950102	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+2Cl"	69.938804
"560485"	519.440452	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+2Cl"	69.938804
"1033660"	196.459752	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2Cl"	69.938804
"1251050"	401.899585	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Br"	78.918885
"1310218"	403.955572	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Cl+HCOOH"	80.974872
"1325526"	425.937529	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Cl+NaCOOH"	102.956829
"914761"	435.966286	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M-H+CF3COOH"	112.985586
"1290376"	471.942964	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Cl+CF3COOH"	148.962264
"1371452"	287.968024	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H-2H2O"	-35.012676
"1385668"	305.978	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H-H2O"	-17.0027
"289726"	646.968676	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+H"	1.007276
"678871"	969.949376	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+H"	1.007276
"1358503"	323.987976	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H"	1.007276
"128839"	323.987976	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+2H"	2.014552
"568398"	485.478326	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+2H"	2.014552
"1044124"	162.497626	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2H"	2.014552
"206201"	216.327742666667	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+3H"	3.021828
"646123"	323.987976	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+3H"	3.021828
"1163520"	108.667509333333	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+3H"	3.021828
"425696"	663.995223	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+NH4"	18.033823
"785878"	986.975923	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+NH4"	18.033823
"1681334"	341.014523	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+NH4"	18.033823
"330081"	332.5012495	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+H+NH4"	19.041099
"722812"	493.9915995	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+H+NH4"	19.041099
"1492668"	171.0108995	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H+NH4"	19.041099
"408152"	668.950618	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+Na"	22.989218
"764520"	991.931318	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+Na"	22.989218
"1607149"	345.969918	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Na"	22.989218
"316091"	334.978947	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+H+Na"	23.996494
"713983"	496.469297	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+H+Na"	23.996494
"1476604"	173.488597	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H+Na"	23.996494
"1068396"	115.994823333333	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2H+Na"	25.00377
"1272211"	356.014186	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+CH3OH+H"	33.033486
"392338"	684.924558	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+K"	38.963158
"751417"	1007.905258	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+K"	38.963158
"1554576"	361.943858	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+K"	38.963158
"313567"	342.965917	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+H+K"	39.970434
"706519"	504.456267	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+H+K"	39.970434
"1458710"	181.475567	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H+K"	39.970434
"248404"	687.995226	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+ACN+H"	42.033826
"1216742"	365.014526	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+ACN+H"	42.033826
"1201717"	183.010901	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+ACN+2H"	43.041102
"191303"	690.93256	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+2Na-H"	44.97116
"631958"	1013.91326	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+2Na-H"	44.97116
"1135103"	367.95186	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2Na-H"	44.97116
"176201"	345.969918	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+2Na"	45.978436
"616130"	507.460268	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+2Na"	45.978436
"1120730"	184.479568	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2Na"	45.978436
"1410813"	123.322137333333	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H+2Na"	46.985712
"1441836"	369.993446	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H+HCOOH"	47.012746
"228250"	351.00294	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+3H2O+2H"	56.04448
"1510480"	384.04549	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+IsoProp+H"	61.06479
"410162"	353.956888	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+Na+K"	61.952376
"771400"	515.447238	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+Na+K"	61.952376
"1666765"	192.466538	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Na+K"	61.952376
"252674"	709.977168	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+ACN+Na"	64.015768
"1236932"	386.996468	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+ACN+Na"	64.015768
"1717434"	387.019993	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+NH4+HCOOH"	64.039293
"1186803"	130.649451333333	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+3Na"	68.967654
"1657786"	391.975388	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Na+HCOOH"	68.994688
"168665"	722.88044	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+2K-H"	76.91904
"605304"	1045.86114	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+2K-H"	76.91904
"1089817"	399.89974	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2K-H"	76.91904
"153197"	361.943858	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"2M+2K"	77.926316
"593853"	523.434208	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"3M+2K"	77.926316
"1082376"	200.453508	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2K"	77.926316
"1106108"	401.914292	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2K+H"	78.933592
"1347594"	402.001907	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+DMSO+H"	79.021207
"1015030"	406.041076	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2ACN+H"	83.060376
"1528052"	407.034708	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+IsoProp+Na+H"	84.054008
"995593"	203.524176	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+2ACN+2H"	84.067652
"1594472"	407.949328	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+K+HCOOH"	84.968628
"1421225"	437.980838	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+H+CF3COOH"	115.000138
"1160265"	224.037451	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+3ACN+2H"	125.094202
"1707629"	455.007385	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+NH4+CF3COOH"	132.026685
"1642185"	459.96278	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+Na+CF3COOH"	136.98208
"1576742"	475.93672	"C18907"	"Benodanil"	"C13H10INO"	"322.9807"	"M+K+CF3COOH"	152.95602
"815858"	333.9001	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M"	0
"986110"	314.88171	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-H2O-H"	-19.01839
"73258"	221.592790666667	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M-3H"	-3.021828
"515007"	332.892824	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M-3H"	-3.021828
"894996"	110.292757333333	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-3H"	-3.021828
"9197"	332.892824	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M-2H"	-2.014552
"449855"	499.842874	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M-2H"	-2.014552
"825472"	165.942774	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-2H"	-2.014552
"86557"	666.792924	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M-H"	-1.007276
"521743"	1000.693024	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M-H"	-1.007276
"899908"	332.892824	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-H"	-1.007276
"50638"	683.819471	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M-2H+NH4"	16.019271
"488131"	1017.719571	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M-2H+NH4"	16.019271
"865812"	349.919371	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-2H+NH4"	16.019271
"33712"	688.774866	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M-2H+Na"	20.974666
"472301"	1022.674966	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M-2H+Na"	20.974666
"860926"	354.874766	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-2H+Na"	20.974666
"1630093"	354.874766	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Na-2H"	20.974666
"104798"	350.881163	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M-H+Cl"	33.962126
"548378"	517.831213	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M-H+Cl"	33.962126
"939702"	183.931113	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-H+Cl"	33.962126
"281545"	702.769602	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+Cl"	34.969402
"671047"	1036.669702	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+Cl"	34.969402
"1275796"	368.869502	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Cl"	34.969402
"19078"	704.748806	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M-2H+K"	36.948606
"458271"	1038.648906	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M-2H+K"	36.948606
"834983"	370.848706	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-2H+K"	36.948606
"1556528"	370.848706	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+K-2H"	36.948606
"943804"	378.898294	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-H+HCOOH"	44.998194
"362141"	712.798401	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+HCOOH-H"	44.998201
"349190"	726.814051	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+Hac-H"	59.013851
"1494130"	392.913951	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Hac-H"	59.013851
"965567"	400.880251	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-H+NaCOOH"	66.980151
"122129"	368.869502	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+2Cl"	69.938804
"558408"	535.819552	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+2Cl"	69.938804
"1033770"	201.919452	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2Cl"	69.938804
"1252253"	412.818985	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Br"	78.918885
"1307048"	414.874972	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Cl+HCOOH"	80.974872
"1323449"	436.856929	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Cl+NaCOOH"	102.956829
"915964"	446.885686	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M-H+CF3COOH"	112.985586
"1290484"	482.862364	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Cl+CF3COOH"	148.962264
"1369739"	298.887424	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H-2H2O"	-35.012676
"1385778"	316.8974	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H-H2O"	-17.0027
"289836"	668.807476	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+H"	1.007276
"678981"	1002.707576	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+H"	1.007276
"1358613"	334.907376	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H"	1.007276
"129678"	334.907376	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+2H"	2.014552
"569237"	501.857426	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+2H"	2.014552
"1045327"	167.957326	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2H"	2.014552
"207031"	223.607342666667	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+3H"	3.021828
"645864"	334.907376	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+3H"	3.021828
"1164357"	112.307309333333	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+3H"	3.021828
"426172"	685.834023	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+NH4"	18.033823
"786801"	1019.734123	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+NH4"	18.033823
"1681502"	351.933923	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+NH4"	18.033823
"330310"	343.4206495	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+H+NH4"	19.041099
"722930"	510.3706995	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+H+NH4"	19.041099
"1491884"	176.4705995	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H+NH4"	19.041099
"408381"	690.789418	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+Na"	22.989218
"764630"	1024.689518	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+Na"	22.989218
"1609445"	356.889318	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Na"	22.989218
"316201"	345.898347	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+H+Na"	23.996494
"714093"	512.848397	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+H+Na"	23.996494
"1476589"	178.948297	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H+Na"	23.996494
"1068051"	119.634623333333	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2H+Na"	25.00377
"1271225"	366.933586	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+CH3OH+H"	33.033486
"392694"	706.763358	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+K"	38.963158
"751162"	1040.663458	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+K"	38.963158
"1555295"	372.863258	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+K"	38.963158
"313677"	353.885317	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+H+K"	39.970434
"705733"	520.835367	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+H+K"	39.970434
"1458820"	186.935267	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H+K"	39.970434
"245234"	709.834026	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+ACN+H"	42.033826
"1216852"	375.933926	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+ACN+H"	42.033826
"1199640"	188.470601	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+ACN+2H"	43.041102
"190686"	712.77136	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+2Na-H"	44.97116
"632434"	1046.67146	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+2Na-H"	44.97116
"1134849"	378.87126	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2Na-H"	44.97116
"176676"	356.889318	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+2Na"	45.978436
"617335"	523.839368	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+2Na"	45.978436
"1119746"	189.939268	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2Na"	45.978436
"1410923"	126.961937333333	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H+2Na"	46.985712
"1441946"	380.912846	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H+HCOOH"	47.012746
"229453"	361.92234	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+3H2O+2H"	56.04448
"1510955"	394.96489	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+IsoProp+H"	61.06479
"409910"	364.876288	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+Na+K"	61.952376
"771389"	531.826338	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+Na+K"	61.952376
"1666872"	197.926238	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Na+K"	61.952376
"252296"	731.815968	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+ACN+Na"	64.015768
"1235949"	397.915868	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+ACN+Na"	64.015768
"1713776"	397.939393	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+NH4+HCOOH"	64.039293
"1180347"	134.289251333333	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+3Na"	68.967654
"1656803"	402.894788	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Na+HCOOH"	68.994688
"167677"	744.71924	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+2K-H"	76.91904
"602134"	1078.61934	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+2K-H"	76.91904
"1089927"	410.81914	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2K-H"	76.91904
"152942"	372.863258	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"2M+2K"	77.926316
"594690"	539.813308	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"3M+2K"	77.926316
"1073004"	205.913208	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2K"	77.926316
"1108405"	412.833692	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2K+H"	78.933592
"1341508"	412.921307	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+DMSO+H"	79.021207
"1012224"	416.960476	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2ACN+H"	83.060376
"1525977"	417.954108	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+IsoProp+Na+H"	84.054008
"993518"	208.983876	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+2ACN+2H"	84.067652
"1592396"	418.868728	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+K+HCOOH"	84.968628
"1419149"	448.900238	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+H+CF3COOH"	115.000138
"1160011"	229.497151	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+3ACN+2H"	125.094202
"1707739"	465.926785	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+NH4+CF3COOH"	132.026685
"1642295"	470.88218	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+Na+CF3COOH"	136.98208
"1576852"	486.85612	"C18908"	"Chloraniformethan"	"C9H7Cl5N2O"	"333.9001"	"M+K+CF3COOH"	152.95602
"814875"	279.0662	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M"	0
"986220"	260.04781	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-H2O-H"	-19.01839
"72275"	185.036857333333	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M-3H"	-3.021828
"514024"	278.058924	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M-3H"	-3.021828
"892192"	92.0147906666667	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-3H"	-3.021828
"9307"	278.058924	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M-2H"	-2.014552
"449965"	417.592024	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M-2H"	-2.014552
"822302"	138.525824	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-2H"	-2.014552
"84480"	557.125124	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M-H"	-1.007276
"522216"	836.191324	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M-H"	-1.007276
"898924"	278.058924	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-H"	-1.007276
"50019"	574.151671	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M-2H+NH4"	16.019271
"488119"	853.217871	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M-2H+NH4"	16.019271
"865557"	295.085471	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-2H+NH4"	16.019271
"36009"	579.107066	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M-2H+Na"	20.974666
"473383"	858.173266	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M-2H+Na"	20.974666
"861036"	300.040866	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-2H+Na"	20.974666
"1629474"	300.040866	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Na-2H"	20.974666
"102722"	296.047263	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M-H+Cl"	33.962126
"547760"	435.580363	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M-H+Cl"	33.962126
"939812"	156.514163	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-H+Cl"	33.962126
"282507"	593.101802	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+Cl"	34.969402
"674072"	872.168002	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+Cl"	34.969402
"1274813"	314.035602	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Cl"	34.969402
"17731"	595.081006	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M-2H+K"	36.948606
"456599"	874.147206	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M-2H+K"	36.948606
"833516"	316.014806	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-2H+K"	36.948606
"1556151"	316.014806	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+K-2H"	36.948606
"942789"	324.064394	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-H+HCOOH"	44.998194
"361546"	603.130601	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+HCOOH-H"	44.998201
"346986"	617.146251	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+Hac-H"	59.013851
"1493753"	338.080051	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Hac-H"	59.013851
"966770"	346.046351	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-H+NaCOOH"	66.980151
"121875"	314.035602	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+2Cl"	69.938804
"559611"	453.568702	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+2Cl"	69.938804
"1033880"	174.502502	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2Cl"	69.938804
"1252363"	357.985085	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Br"	78.918885
"1310438"	360.041072	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Cl+HCOOH"	80.974872
"1324652"	382.023029	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Cl+NaCOOH"	102.956829
"915710"	392.051786	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M-H+CF3COOH"	112.985586
"1290230"	428.028464	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Cl+CF3COOH"	148.962264
"1369485"	244.053524	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H-2H2O"	-35.012676
"1385887"	262.0635	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H-H2O"	-17.0027
"289946"	559.139676	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+H"	1.007276
"676904"	838.205876	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+H"	1.007276
"1353254"	280.073476	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H"	1.007276
"126871"	280.073476	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+2H"	2.014552
"566795"	419.606576	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+2H"	2.014552
"1041064"	140.540376	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2H"	2.014552
"207140"	187.051409333333	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+3H"	3.021828
"646339"	280.073476	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+3H"	3.021828
"1164830"	94.0293426666667	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+3H"	3.021828
"425553"	576.166223	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+NH4"	18.033823
"787273"	855.232423	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+NH4"	18.033823
"1681900"	297.100023	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+NH4"	18.033823
"330424"	288.5867495	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+H+NH4"	19.041099
"723044"	428.1198495	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+H+NH4"	19.041099
"1490899"	149.0536495	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H+NH4"	19.041099
"405932"	581.121618	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+Na"	22.989218
"758179"	860.187818	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+Na"	22.989218
"1605182"	302.055418	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Na"	22.989218
"314849"	291.064447	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+H+Na"	23.996494
"714203"	430.597547	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+H+Na"	23.996494
"1473860"	151.531347	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H+Na"	23.996494
"1067107"	101.356656666667	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2H+Na"	25.00377
"1268419"	312.099686	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+CH3OH+H"	33.033486
"392815"	597.095558	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+K"	38.963158
"747990"	876.161758	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+K"	38.963158
"1554915"	318.029358	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+K"	38.963158
"314143"	299.051417	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+H+K"	39.970434
"706777"	438.584517	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+H+K"	39.970434
"1456743"	159.518317	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H+K"	39.970434
"243157"	600.166226	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+ACN+H"	42.033826
"1215868"	321.100026	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+ACN+H"	42.033826
"1196470"	161.053651	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+ACN+2H"	43.041102
"191159"	603.10356	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+2Na-H"	44.97116
"632544"	882.16976	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+2Na-H"	44.97116
"1133863"	324.03736	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2Na-H"	44.97116
"176060"	302.055418	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+2Na"	45.978436
"616715"	441.588518	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+2Na"	45.978436
"1119126"	162.522318	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2Na"	45.978436
"1404473"	108.683970666667	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H+2Na"	46.985712
"1439869"	326.078946	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H+HCOOH"	47.012746
"230656"	307.08844	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+3H2O+2H"	56.04448
"1512158"	340.13099	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+IsoProp+H"	61.06479
"410749"	310.042388	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+Na+K"	61.952376
"771742"	449.575488	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+Na+K"	61.952376
"1666011"	170.509288	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Na+K"	61.952376
"252769"	622.148168	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+ACN+Na"	64.015768
"1234966"	343.081968	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+ACN+Na"	64.015768
"1713277"	343.105493	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+NH4+HCOOH"	64.039293
"1178557"	116.011284666667	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+3Na"	68.967654
"1649974"	348.060888	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Na+HCOOH"	68.994688
"165966"	635.05144	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+2K-H"	76.91904
"602244"	914.11764	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+2K-H"	76.91904
"1090037"	355.98524	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2K-H"	76.91904
"150866"	318.029358	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"2M+2K"	77.926316
"593708"	457.562458	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"3M+2K"	77.926316
"1073114"	178.496258	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2K"	77.926316
"1108515"	357.999792	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2K+H"	78.933592
"1341618"	358.087407	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+DMSO+H"	79.021207
"1012334"	362.126576	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2ACN+H"	83.060376
"1526087"	363.120208	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+IsoProp+Na+H"	84.054008
"993628"	181.566926	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+2ACN+2H"	84.067652
"1591413"	364.034828	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+K+HCOOH"	84.968628
"1419259"	394.066338	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+H+CF3COOH"	115.000138
"1160485"	202.080201	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+3ACN+2H"	125.094202
"1707849"	411.092885	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+NH4+CF3COOH"	132.026685
"1642405"	416.04828	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+Na+CF3COOH"	136.98208
"1576962"	432.02222	"C18909"	"Cyprofuram"	"C14H14ClNO3"	"279.0662"	"M+K+CF3COOH"	152.95602
"816078"	355.0893	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M"	0
"985237"	336.07091	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-H2O-H"	-19.01839
"74572"	235.718924	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M-3H"	-3.021828
"518409"	354.082024	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M-3H"	-3.021828
"895217"	117.355824	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-3H"	-3.021828
"6138"	354.082024	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M-2H"	-2.014552
"455300"	531.626674	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M-2H"	-2.014552
"824599"	176.537374	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-2H"	-2.014552
"90058"	709.171324	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M-H"	-1.007276
"525243"	1064.260624	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M-H"	-1.007276
"903045"	354.082024	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-H"	-1.007276
"50129"	726.197871	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M-2H+NH4"	16.019271
"488595"	1081.287171	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M-2H+NH4"	16.019271
"864936"	371.108571	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-2H+NH4"	16.019271
"32839"	731.153266	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M-2H+Na"	20.974666
"475679"	1086.242566	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M-2H+Na"	20.974666
"862239"	376.063966	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-2H+Na"	20.974666
"1628491"	376.063966	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Na-2H"	20.974666
"103925"	372.070363	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M-H+Cl"	33.962126
"547505"	549.615013	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M-H+Cl"	33.962126
"940165"	194.525713	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-H+Cl"	33.962126
"281403"	745.148002	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+Cl"	34.969402
"673940"	1100.237302	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+Cl"	34.969402
"1276744"	390.058702	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Cl"	34.969402
"20756"	747.127206	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M-2H+K"	36.948606
"461407"	1102.216506	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M-2H+K"	36.948606
"832921"	392.037906	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-2H+K"	36.948606
"1555646"	392.037906	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+K-2H"	36.948606
"943418"	400.087494	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-H+HCOOH"	44.998194
"362484"	755.176801	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+HCOOH-H"	44.998201
"347217"	769.192451	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+Hac-H"	59.013851
"1493134"	414.103151	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Hac-H"	59.013851
"966880"	422.069451	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-H+NaCOOH"	66.980151
"120162"	390.058702	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+2Cl"	69.938804
"559721"	567.603352	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+2Cl"	69.938804
"1036055"	212.514052	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2Cl"	69.938804
"1253568"	434.008185	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Br"	78.918885
"1310548"	436.064172	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Cl+HCOOH"	80.974872
"1322575"	458.046129	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Cl+NaCOOH"	102.956829
"914726"	468.074886	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M-H+CF3COOH"	112.985586
"1289610"	504.051564	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Cl+CF3COOH"	148.962264
"1370689"	320.076624	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H-2H2O"	-35.012676
"1387091"	338.0866	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H-H2O"	-17.0027
"290057"	711.185876	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+H"	1.007276
"677014"	1066.275176	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+H"	1.007276
"1354092"	356.096576	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H"	1.007276
"129534"	356.096576	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+2H"	2.014552
"567270"	533.641226	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+2H"	2.014552
"1042632"	178.551926	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2H"	2.014552
"207978"	237.733476	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+3H"	3.021828
"645353"	356.096576	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+3H"	3.021828
"1163600"	119.370376	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+3H"	3.021828
"426392"	728.212423	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+NH4"	18.033823
"787750"	1083.301723	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+NH4"	18.033823
"1681767"	373.123123	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+NH4"	18.033823
"331384"	364.6098495	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+H+NH4"	19.041099
"723683"	542.1544995	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+H+NH4"	19.041099
"1489917"	187.0651995	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H+NH4"	19.041099
"403855"	733.167818	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+Na"	22.989218
"758288"	1088.257118	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+Na"	22.989218
"1605292"	378.078518	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Na"	22.989218
"316051"	367.087547	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+H+Na"	23.996494
"709939"	544.632197	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+H+Na"	23.996494
"1473606"	189.542897	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H+Na"	23.996494
"1066125"	126.69769	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2H+Na"	25.00377
"1267801"	388.122786	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+CH3OH+H"	33.033486
"390878"	749.141758	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+K"	38.963158
"748100"	1104.231058	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+K"	38.963158
"1554418"	394.052458	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+K"	38.963158
"309519"	375.074517	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+H+K"	39.970434
"702669"	552.619167	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+H+K"	39.970434
"1456853"	197.529867	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H+K"	39.970434
"241079"	752.212426	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+ACN+H"	42.033826
"1217070"	397.123126	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+ACN+H"	42.033826
"1199858"	199.065201	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+ACN+2H"	43.041102
"190906"	755.14976	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+2Na-H"	44.97116
"635570"	1110.23906	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+2Na-H"	44.97116
"1134702"	400.06046	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2Na-H"	44.97116
"176899"	378.078518	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+2Na"	45.978436
"619739"	555.623168	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+2Na"	45.978436
"1122151"	200.533868	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2Na"	45.978436
"1403853"	134.025004	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H+2Na"	46.985712
"1434511"	402.102046	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H+HCOOH"	47.012746
"225300"	383.11154	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+3H2O+2H"	56.04448
"1510444"	416.15409	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+IsoProp+H"	61.06479
"409765"	386.065488	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+Na+K"	61.952376
"772949"	563.610138	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+Na+K"	61.952376
"1668186"	208.520838	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Na+K"	61.952376
"252154"	774.194368	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+ACN+Na"	64.015768
"1234346"	419.105068	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+ACN+Na"	64.015768
"1713143"	419.128593	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+NH4+HCOOH"	64.039293
"1178782"	141.352318	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+3Na"	68.967654
"1649982"	424.083988	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Na+HCOOH"	68.994688
"168629"	787.09764	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+2K-H"	76.91904
"608551"	1142.18694	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+2K-H"	76.91904
"1093428"	432.00834	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2K-H"	76.91904
"153529"	394.052458	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"2M+2K"	77.926316
"591995"	571.597108	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"3M+2K"	77.926316
"1081245"	216.507808	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2K"	77.926316
"1103158"	434.022892	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2K+H"	78.933592
"1336382"	434.110507	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+DMSO+H"	79.021207
"1006852"	438.149676	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2ACN+H"	83.060376
"1529477"	439.143308	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+IsoProp+Na+H"	84.054008
"992644"	219.578476	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+2ACN+2H"	84.067652
"1590428"	440.057928	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+K+HCOOH"	84.968628
"1422649"	470.089438	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+H+CF3COOH"	115.000138
"1156220"	240.091751	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+3ACN+2H"	125.094202
"1705771"	487.115985	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+NH4+CF3COOH"	132.026685
"1642515"	492.07138	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+Na+CF3COOH"	136.98208
"1577072"	508.04532	"C18910"	"25-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one;25-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate"	"C9H18N5O8P"	"355.0893"	"M+K+CF3COOH"	152.95602
"816188"	228.0399	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M"	0
"985347"	209.02151	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-H2O-H"	-19.01839
"74682"	151.019324	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M-3H"	-3.021828
"517975"	227.032624	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M-3H"	-3.021828
"893506"	75.006024	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-3H"	-3.021828
"6248"	227.032624	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M-2H"	-2.014552
"450914"	341.052574	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M-2H"	-2.014552
"821429"	113.012674	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-2H"	-2.014552
"87980"	455.072524	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M-H"	-1.007276
"523166"	683.112424	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M-H"	-1.007276
"905342"	227.032624	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-H"	-1.007276
"50239"	472.099071	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M-2H+NH4"	16.019271
"488338"	700.138971	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M-2H+NH4"	16.019271
"866506"	244.059171	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-2H+NH4"	16.019271
"32337"	477.054466	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M-2H+Na"	20.974666
"473603"	705.094366	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M-2H+Na"	20.974666
"863323"	249.014566	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-2H+Na"	20.974666
"1629694"	249.014566	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Na-2H"	20.974666
"104035"	245.020963	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M-H+Cl"	33.962126
"547979"	359.040913	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M-H+Cl"	33.962126
"937116"	131.001013	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-H+Cl"	33.962126
"280049"	491.049202	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+Cl"	34.969402
"668096"	719.089102	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+Cl"	34.969402
"1276126"	263.009302	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Cl"	34.969402
"16858"	493.028406	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M-2H+K"	36.948606
"459333"	721.068306	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M-2H+K"	36.948606
"832856"	264.988506	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-2H+K"	36.948606
"1556375"	264.988506	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+K-2H"	36.948606
"943037"	273.038094	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-H+HCOOH"	44.998194
"361562"	501.078001	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+HCOOH-H"	44.998201
"345990"	515.093651	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+Hac-H"	59.013851
"1494341"	287.053751	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Hac-H"	59.013851
"968083"	295.020051	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-H+NaCOOH"	66.980151
"123553"	263.009302	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+2Cl"	69.938804
"559831"	377.029252	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+2Cl"	69.938804
"1035193"	148.989352	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2Cl"	69.938804
"1253679"	306.958785	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Br"	78.918885
"1310659"	309.014772	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Cl+HCOOH"	80.974872
"1323780"	330.996729	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Cl+NaCOOH"	102.956829
"914838"	341.025486	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M-H+CF3COOH"	112.985586
"1288483"	377.002164	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Cl+CF3COOH"	148.962264
"1367517"	193.027224	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H-2H2O"	-35.012676
"1383313"	211.0372	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H-H2O"	-17.0027
"289073"	457.087076	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+H"	1.007276
"679311"	685.126976	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+H"	1.007276
"1352378"	229.047176	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H"	1.007276
"127823"	229.047176	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+2H"	2.014552
"566652"	343.067126	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+2H"	2.014552
"1038732"	115.027226	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2H"	2.014552
"206266"	153.033876	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+3H"	3.021828
"644371"	229.047176	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+3H"	3.021828
"1164320"	77.020576	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+3H"	3.021828
"424433"	474.113623	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+NH4"	18.033823
"786644"	702.153523	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+NH4"	18.033823
"1681624"	246.073723	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+NH4"	18.033823
"330157"	237.5604495	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+H+NH4"	19.041099
"723179"	351.5803995	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+H+NH4"	19.041099
"1490756"	123.5404995	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H+NH4"	19.041099
"402872"	479.069018	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+Na"	22.989218
"758398"	707.108918	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+Na"	22.989218
"1606495"	251.029118	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Na"	22.989218
"316160"	240.038147	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+H+Na"	23.996494
"711142"	354.058097	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+H+Na"	23.996494
"1473716"	126.018197	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H+Na"	23.996494
"1067815"	84.34789	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2H+Na"	25.00377
"1268639"	261.073386	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+CH3OH+H"	33.033486
"391473"	495.042958	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+K"	38.963158
"751490"	723.082858	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+K"	38.963158
"1555010"	267.003058	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+K"	38.963158
"309629"	248.025117	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+H+K"	39.970434
"702050"	362.045067	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+H+K"	39.970434
"1456963"	134.005167	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H+K"	39.970434
"242282"	498.113626	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+ACN+H"	42.033826
"1216087"	270.073726	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+ACN+H"	42.033826
"1198874"	135.540501	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+ACN+2H"	43.041102
"192108"	501.05096	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+2Na-H"	44.97116
"635680"	729.09086	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+2Na-H"	44.97116
"1135177"	273.01106	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2Na-H"	44.97116
"179195"	251.029118	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+2Na"	45.978436
"618758"	365.049068	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+2Na"	45.978436
"1122263"	137.009168	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2Na"	45.978436
"1405786"	91.675204	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H+2Na"	46.985712
"1434621"	275.052646	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H+HCOOH"	47.012746
"225409"	256.06214	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+3H2O+2H"	56.04448
"1509827"	289.10469	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+IsoProp+H"	61.06479
"409146"	259.016088	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+Na+K"	61.952376
"773059"	373.036038	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+Na+K"	61.952376
"1667203"	144.996138	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Na+K"	61.952376
"254816"	520.095568	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+ACN+Na"	64.015768
"1227890"	292.055668	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+ACN+Na"	64.015768
"1714224"	292.079193	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+NH4+HCOOH"	64.039293
"1179945"	99.002518	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+3Na"	68.967654
"1650564"	297.034588	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Na+HCOOH"	68.994688
"157789"	532.99884	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+2K-H"	76.91904
"597470"	761.03874	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+2K-H"	76.91904
"1084534"	304.95894	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2K-H"	76.91904
"143064"	267.003058	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"2M+2K"	77.926316
"589917"	381.023008	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"3M+2K"	77.926316
"1071147"	152.983108	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2K"	77.926316
"1105452"	306.973492	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2K+H"	78.933592
"1336119"	307.061107	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+DMSO+H"	79.021207
"1005867"	311.100276	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2ACN+H"	83.060376
"1527399"	312.093908	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+IsoProp+Na+H"	84.054008
"990113"	156.053776	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+2ACN+2H"	84.067652
"1588348"	313.008528	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+K+HCOOH"	84.968628
"1414860"	343.040038	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+H+CF3COOH"	115.000138
"1147578"	176.567051	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+3ACN+2H"	125.094202
"1698589"	360.066585	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+NH4+CF3COOH"	132.026685
"1636063"	365.02198	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+Na+CF3COOH"	136.98208
"1576088"	380.99592	"C18911"	"(R)-4-Phosphopantoate"	"C6H13O7P"	"228.0399"	"M+K+CF3COOH"	152.95602
"816298"	251.1521	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M"	0
"985457"	232.13371	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-H2O-H"	-19.01839
"74792"	166.427457333333	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M-3H"	-3.021828
"517272"	250.144824	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M-3H"	-3.021828
"893252"	82.7100906666667	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-3H"	-3.021828
"6358"	250.144824	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M-2H"	-2.014552
"450294"	375.720874	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M-2H"	-2.014552
"828099"	124.568774	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-2H"	-2.014552
"92099"	501.296924	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M-H"	-1.007276
"522547"	752.449024	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M-H"	-1.007276
"901079"	250.144824	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-H"	-1.007276
"51078"	518.323471	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M-2H+NH4"	16.019271
"488327"	769.475571	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M-2H+NH4"	16.019271
"864789"	267.171371	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-2H+NH4"	16.019271
"32447"	523.278866	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M-2H+Na"	20.974666
"474077"	774.430966	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M-2H+Na"	20.974666
"863676"	272.126766	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-2H+Na"	20.974666
"1628711"	272.126766	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Na-2H"	20.974666
"103052"	268.133163	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M-H+Cl"	33.962126
"546634"	393.709213	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M-H+Cl"	33.962126
"942534"	142.557113	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-H+Cl"	33.962126
"280160"	537.273602	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+Cl"	34.969402
"668206"	788.425702	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+Cl"	34.969402
"1278424"	286.121502	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Cl"	34.969402
"18061"	539.252806	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M-2H+K"	36.948606
"460537"	790.404906	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M-2H+K"	36.948606
"838343"	288.100706	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-2H+K"	36.948606
"1556360"	288.100706	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+K-2H"	36.948606
"943635"	296.150294	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-H+HCOOH"	44.998194
"362210"	547.302401	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+HCOOH-H"	44.998201
"346587"	561.318051	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+Hac-H"	59.013851
"1494451"	310.165951	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Hac-H"	59.013851
"971840"	318.132251	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-H+NaCOOH"	66.980151
"123298"	286.121502	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+2Cl"	69.938804
"561034"	411.697552	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+2Cl"	69.938804
"1036926"	160.545452	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2Cl"	69.938804
"1255854"	330.070985	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Br"	78.918885
"1314049"	332.126972	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Cl+HCOOH"	80.974872
"1326077"	354.108929	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Cl+NaCOOH"	102.956829
"917134"	364.137686	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M-H+CF3COOH"	112.985586
"1289055"	400.114364	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Cl+CF3COOH"	148.962264
"1367383"	216.139424	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H-2H2O"	-35.012676
"1383179"	234.1494	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H-H2O"	-17.0027
"290276"	503.311476	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+H"	1.007276
"677598"	754.463576	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+H"	1.007276
"1351756"	252.159376	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H"	1.007276
"126347"	252.159376	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+2H"	2.014552
"566397"	377.735426	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+2H"	2.014552
"1037745"	126.583326	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2H"	2.014552
"205647"	168.442009333333	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+3H"	3.021828
"646306"	252.159376	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+3H"	3.021828
"1164064"	84.7246426666667	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+3H"	3.021828
"425393"	520.338023	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+NH4"	18.033823
"788335"	771.490123	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+NH4"	18.033823
"1681743"	269.185923	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+NH4"	18.033823
"330387"	260.6726495	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+H+NH4"	19.041099
"723127"	386.2486995	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+H+NH4"	19.041099
"1492553"	135.0965995	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H+NH4"	19.041099
"402982"	525.293418	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+Na"	22.989218
"757415"	776.445518	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+Na"	22.989218
"1605513"	274.141318	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Na"	22.989218
"315181"	263.150347	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+H+Na"	23.996494
"712345"	388.726397	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+H+Na"	23.996494
"1474554"	137.574297	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H+Na"	23.996494
"1066344"	92.0519566666667	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2H+Na"	25.00377
"1266561"	284.185586	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+CH3OH+H"	33.033486
"392553"	541.267358	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+K"	38.963158
"748320"	792.419458	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+K"	38.963158
"1555120"	290.115258	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+K"	38.963158
"309739"	271.137317	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+H+K"	39.970434
"703253"	396.713367	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+H+K"	39.970434
"1457073"	145.561267	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H+K"	39.970434
"244578"	544.338026	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+ACN+H"	42.033826
"1217289"	293.185926	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+ACN+H"	42.033826
"1200077"	147.096601	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+ACN+2H"	43.041102
"192950"	547.27536	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+2Na-H"	44.97116
"643080"	798.42746	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+2Na-H"	44.97116
"1137110"	296.12326	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2Na-H"	44.97116
"182586"	274.141318	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+2Na"	45.978436
"621054"	399.717368	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+2Na"	45.978436
"1124559"	148.565268	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2Na"	45.978436
"1406989"	99.3792706666667	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H+2Na"	46.985712
"1436918"	298.164846	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H+HCOOH"	47.012746
"227706"	279.17434	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+3H2O+2H"	56.04448
"1513580"	312.21689	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+IsoProp+H"	61.06479
"410352"	282.128288	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+Na+K"	61.952376
"774263"	407.704338	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+Na+K"	61.952376
"1666215"	156.552238	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Na+K"	61.952376
"253832"	566.319968	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+ACN+Na"	64.015768
"1229822"	315.167868	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+ACN+Na"	64.015768
"1713969"	315.191393	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+NH4+HCOOH"	64.039293
"1180052"	106.706584666667	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+3Na"	68.967654
"1651646"	320.146788	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Na+HCOOH"	68.994688
"158140"	579.22324	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+2K-H"	76.91904
"598923"	830.37534	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+2K-H"	76.91904
"1085497"	328.07114	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2K-H"	76.91904
"144998"	290.115258	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"2M+2K"	77.926316
"591120"	415.691308	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"3M+2K"	77.926316
"1076725"	164.539208	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2K"	77.926316
"1102283"	330.085692	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2K+H"	78.933592
"1337085"	330.173307	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+DMSO+H"	79.021207
"1006215"	334.212476	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2ACN+H"	83.060376
"1525687"	335.206108	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+IsoProp+Na+H"	84.054008
"990667"	167.609876	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+2ACN+2H"	84.067652
"1587728"	336.120728	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+K+HCOOH"	84.968628
"1414485"	366.152238	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+H+CF3COOH"	115.000138
"1147442"	188.123151	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+3ACN+2H"	125.094202
"1698335"	383.178785	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+NH4+CF3COOH"	132.026685
"1636173"	388.13418	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+Na+CF3COOH"	136.98208
"1575105"	404.10812	"C18912"	"Furmecyclox"	"C14H21NO3"	"251.1521"	"M+K+CF3COOH"	152.95602
"815315"	211.0997	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M"	0
"985567"	192.08131	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-H2O-H"	-19.01839
"77576"	139.725857333333	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M-3H"	-3.021828
"518468"	210.092424	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M-3H"	-3.021828
"895589"	69.3592906666667	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-3H"	-3.021828
"13029"	210.092424	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M-2H"	-2.014552
"451498"	315.642274	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M-2H"	-2.014552
"828209"	104.542574	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-2H"	-2.014552
"92209"	421.192124	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M-H"	-1.007276
"524480"	632.291824	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M-H"	-1.007276
"900095"	210.092424	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-H"	-1.007276
"48391"	438.218671	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M-2H+NH4"	16.019271
"489289"	649.318371	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M-2H+NH4"	16.019271
"864415"	227.118971	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-2H+NH4"	16.019271
"34627"	443.174066	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M-2H+Na"	20.974666
"474186"	654.273766	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M-2H+Na"	20.974666
"862934"	232.074366	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-2H+Na"	20.974666
"1633076"	232.074366	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Na-2H"	20.974666
"106443"	228.080763	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M-H+Cl"	33.962126
"548688"	333.630613	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M-H+Cl"	33.962126
"942649"	122.530913	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-H+Cl"	33.962126
"281731"	457.168802	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+Cl"	34.969402
"674512"	668.268502	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+Cl"	34.969402
"1278898"	246.069102	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Cl"	34.969402
"25462"	459.148006	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M-2H+K"	36.948606
"460647"	670.247706	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M-2H+K"	36.948606
"838453"	248.048306	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-2H+K"	36.948606
"1558661"	248.048306	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+K-2H"	36.948606
"944354"	256.097894	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-H+HCOOH"	44.998194
"364759"	467.197601	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+HCOOH-H"	44.998201
"349735"	481.213251	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+Hac-H"	59.013851
"1492893"	270.113551	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Hac-H"	59.013851
"971585"	278.079851	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-H+NaCOOH"	66.980151
"123772"	246.069102	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+2Cl"	69.938804
"561144"	351.618952	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+2Cl"	69.938804
"1036590"	140.519252	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2Cl"	69.938804
"1256085"	290.018585	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Br"	78.918885
"1314159"	292.074572	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Cl+HCOOH"	80.974872
"1329467"	314.056529	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Cl+NaCOOH"	102.956829
"916151"	324.085286	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M-H+CF3COOH"	112.985586
"1291763"	360.061964	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Cl+CF3COOH"	148.962264
"1367858"	176.087024	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H-2H2O"	-35.012676
"1382925"	194.097	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H-H2O"	-17.0027
"287106"	423.206676	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+H"	1.007276
"679531"	634.306376	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+H"	1.007276
"1356610"	212.106976	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H"	1.007276
"128038"	212.106976	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+2H"	2.014552
"567720"	317.656826	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+2H"	2.014552
"1040408"	106.557126	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2H"	2.014552
"206849"	141.740409333333	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+3H"	3.021828
"646173"	212.106976	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+3H"	3.021828
"1164904"	71.3738426666667	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+3H"	3.021828
"424897"	440.233223	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+NH4"	18.033823
"786258"	651.332923	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+NH4"	18.033823
"1683318"	229.133523	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+NH4"	18.033823
"332322"	220.6202495	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+H+NH4"	19.041099
"724864"	326.1700995	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+H+NH4"	19.041099
"1489880"	115.0703995	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H+NH4"	19.041099
"406372"	445.188618	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+Na"	22.989218
"759712"	656.288318	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+Na"	22.989218
"1609997"	234.088918	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Na"	22.989218
"320031"	223.097947	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+H+Na"	23.996494
"712455"	328.647797	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+H+Na"	23.996494
"1472842"	117.548097	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H+Na"	23.996494
"1065725"	78.7011566666667	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2H+Na"	25.00377
"1266307"	244.133186	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+CH3OH+H"	33.033486
"392422"	461.162558	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+K"	38.963158
"751346"	672.262258	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+K"	38.963158
"1555564"	250.062858	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+K"	38.963158
"313618"	231.084917	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+H+K"	39.970434
"706157"	336.634767	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+H+K"	39.970434
"1458275"	125.535067	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H+K"	39.970434
"250767"	464.233226	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+ACN+H"	42.033826
"1225596"	253.133526	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+ACN+H"	42.033826
"1207843"	127.070401	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+ACN+2H"	43.041102
"199255"	467.17056	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+2Na-H"	44.97116
"643975"	678.27026	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+2Na-H"	44.97116
"1139408"	256.07086	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2Na-H"	44.97116
"183790"	234.088918	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+2Na"	45.978436
"624445"	339.638768	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+2Na"	45.978436
"1127586"	128.539068	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2Na"	45.978436
"1408193"	86.0284706666667	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H+2Na"	46.985712
"1438122"	258.112446	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H+HCOOH"	47.012746
"227816"	239.12194	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+3H2O+2H"	56.04448
"1512597"	272.16449	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+IsoProp+H"	61.06479
"410463"	242.075888	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+Na+K"	61.952376
"774373"	347.625738	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+Na+K"	61.952376
"1667423"	136.526038	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Na+K"	61.952376
"253942"	486.215168	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+ACN+Na"	64.015768
"1228110"	275.115468	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+ACN+Na"	64.015768
"1715173"	275.138993	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+NH4+HCOOH"	64.039293
"1179676"	93.3557846666667	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+3Na"	68.967654
"1652244"	280.094388	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Na+HCOOH"	68.994688
"158374"	499.11844	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+2K-H"	76.91904
"599033"	710.21814	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+2K-H"	76.91904
"1086456"	288.01874	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2K-H"	76.91904
"148388"	250.062858	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"2M+2K"	77.926316
"591959"	355.612708	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"3M+2K"	77.926316
"1076835"	144.513008	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2K"	77.926316
"1105673"	290.033292	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2K+H"	78.933592
"1339140"	290.120907	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+DMSO+H"	79.021207
"1006692"	294.160076	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2ACN+H"	83.060376
"1525307"	295.153708	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+IsoProp+Na+H"	84.054008
"990780"	147.583676	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+2ACN+2H"	84.067652
"1588566"	296.068328	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+K+HCOOH"	84.968628
"1415442"	326.099838	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+H+CF3COOH"	115.000138
"1147798"	168.096951	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+3ACN+2H"	125.094202
"1697716"	343.126385	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+NH4+CF3COOH"	132.026685
"1636283"	348.08178	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+Na+CF3COOH"	136.98208
"1575215"	364.05572	"C18913"	"Mebenil"	"C14H13NO"	"211.0997"	"M+K+CF3COOH"	152.95602
"813238"	217.1103	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M"	0
"988354"	198.09191	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-H2O-H"	-19.01839
"75014"	143.732924	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M-3H"	-3.021828
"517128"	216.103024	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M-3H"	-3.021828
"891284"	71.362824	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-3H"	-3.021828
"10953"	216.103024	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M-2H"	-2.014552
"450880"	324.658174	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M-2H"	-2.014552
"828319"	107.547874	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-2H"	-2.014552
"93536"	433.213324	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M-H"	-1.007276
"524591"	650.323624	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M-H"	-1.007276
"896924"	216.103024	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-H"	-1.007276
"50570"	450.239871	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M-2H+NH4"	16.019271
"488062"	667.350171	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M-2H+NH4"	16.019271
"866472"	233.129571	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-2H+NH4"	16.019271
"35465"	455.195266	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M-2H+Na"	20.974666
"472839"	672.305566	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M-2H+Na"	20.974666
"848731"	238.084966	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-2H+Na"	20.974666
"1628931"	238.084966	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Na-2H"	20.974666
"102179"	234.091363	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M-H+Cl"	33.962126
"545021"	342.646513	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M-H+Cl"	33.962126
"941457"	125.536213	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-H+Cl"	33.962126
"281474"	469.190002	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+Cl"	34.969402
"674986"	686.300302	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+Cl"	34.969402
"1278644"	252.079702	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Cl"	34.969402
"22292"	471.169206	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M-2H+K"	36.948606
"460756"	688.279506	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M-2H+K"	36.948606
"837470"	254.058906	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-2H+K"	36.948606
"1560958"	254.058906	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+K-2H"	36.948606
"943979"	262.108494	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-H+HCOOH"	44.998194
"364869"	479.218801	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+HCOOH-H"	44.998201
"349845"	493.234451	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+Hac-H"	59.013851
"1494305"	276.124151	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Hac-H"	59.013851
"970238"	284.090451	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-H+NaCOOH"	66.980151
"122061"	252.079702	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+2Cl"	69.938804
"561254"	360.634852	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+2Cl"	69.938804
"1036617"	143.524552	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2Cl"	69.938804
"1255831"	296.029185	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Br"	78.918885
"1310989"	298.085172	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Cl+HCOOH"	80.974872
"1324110"	320.067129	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Cl+NaCOOH"	102.956829
"912980"	330.095886	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M-H+CF3COOH"	112.985586
"1288709"	366.072564	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Cl+CF3COOH"	148.962264
"1367848"	182.097624	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H-2H2O"	-35.012676
"1382992"	200.1076	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H-H2O"	-17.0027
"286123"	435.227876	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+H"	1.007276
"676154"	652.338176	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+H"	1.007276
"1351386"	218.117576	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H"	1.007276
"127053"	218.117576	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+2H"	2.014552
"566737"	326.672726	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+2H"	2.014552
"1038332"	109.562426	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2H"	2.014552
"205501"	145.747476	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+3H"	3.021828
"645068"	218.117576	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+3H"	3.021828
"1163312"	73.377376	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+3H"	3.021828
"424330"	452.254423	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+NH4"	18.033823
"786126"	669.364723	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+NH4"	18.033823
"1681970"	235.144123	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+NH4"	18.033823
"331704"	226.6308495	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+H+NH4"	19.041099
"724489"	335.1859995	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+H+NH4"	19.041099
"1491449"	118.0756995	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H+NH4"	19.041099
"401014"	457.209818	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+Na"	22.989218
"763102"	674.320118	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+Na"	22.989218
"1609013"	240.099518	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Na"	22.989218
"320141"	229.108547	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+H+Na"	23.996494
"714752"	337.663697	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+H+Na"	23.996494
"1474775"	120.553397	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H+Na"	23.996494
"1065106"	80.70469	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2H+Na"	25.00377
"1267511"	250.143786	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+CH3OH+H"	33.033486
"392780"	473.183758	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+K"	38.963158
"751456"	690.294058	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+K"	38.963158
"1555139"	256.073458	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+K"	38.963158
"314179"	237.095517	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+H+K"	39.970434
"704931"	345.650667	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+H+K"	39.970434
"1458385"	128.540367	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H+K"	39.970434
"251204"	476.254426	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+ACN+H"	42.033826
"1225369"	259.144126	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+ACN+H"	42.033826
"1208682"	130.075701	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+ACN+2H"	43.041102
"198636"	479.19176	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+2Na-H"	44.97116
"644223"	696.30206	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+2Na-H"	44.97116
"1139517"	262.08146	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2Na-H"	44.97116
"182806"	240.099518	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+2Na"	45.978436
"622368"	348.654668	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+2Na"	45.978436
"1128060"	131.544368	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2Na"	45.978436
"1408302"	88.032004	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H+2Na"	46.985712
"1439325"	264.123046	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H+HCOOH"	47.012746
"226833"	245.13254	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+3H2O+2H"	56.04448
"1510157"	278.17509	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+IsoProp+H"	61.06479
"411300"	248.086488	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+Na+K"	61.952376
"773388"	356.641638	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+Na+K"	61.952376
"1665625"	139.531338	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Na+K"	61.952376
"252230"	498.236368	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+ACN+Na"	64.015768
"1227856"	281.126068	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+ACN+Na"	64.015768
"1715648"	281.149593	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+NH4+HCOOH"	64.039293
"1179057"	95.359318	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+3Na"	68.967654
"1651988"	286.104988	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Na+HCOOH"	68.994688
"159213"	511.13964	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+2K-H"	76.91904
"598413"	728.24994	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+2K-H"	76.91904
"1085113"	294.02934	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2K-H"	76.91904
"144121"	256.073458	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"2M+2K"	77.926316
"591705"	364.628608	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"3M+2K"	77.926316
"1080956"	147.518308	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2K"	77.926316
"1105782"	296.043892	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2K+H"	78.933592
"1338886"	296.131507	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+DMSO+H"	79.021207
"1007415"	300.170676	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2ACN+H"	83.060376
"1524689"	301.164308	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+IsoProp+Na+H"	84.054008
"990524"	150.588976	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+2ACN+2H"	84.067652
"1587582"	302.078928	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+K+HCOOH"	84.968628
"1421997"	332.110438	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+H+CF3COOH"	115.000138
"1148639"	171.102251	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+3ACN+2H"	125.094202
"1702930"	349.136985	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+NH4+CF3COOH"	132.026685
"1640768"	354.09238	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+Na+CF3COOH"	136.98208
"1575325"	370.06632	"C18914"	"Pyracarbolid"	"C13H15NO2"	"217.1103"	"M+K+CF3COOH"	152.95602
"813348"	213.079	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M"	0
"988949"	194.06061	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-H2O-H"	-19.01839
"76217"	141.045390666667	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M-3H"	-3.021828
"516750"	212.071724	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M-3H"	-3.021828
"893580"	70.0190573333333	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-3H"	-3.021828
"9968"	212.071724	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M-2H"	-2.014552
"453176"	318.611224	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M-2H"	-2.014552
"828429"	105.532224	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-2H"	-2.014552
"94136"	425.150724	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M-H"	-1.007276
"526887"	638.229724	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M-H"	-1.007276
"900315"	212.071724	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-H"	-1.007276
"52866"	442.177271	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M-2H+NH4"	16.019271
"489873"	655.256271	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M-2H+NH4"	16.019271
"869861"	229.098271	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-2H+NH4"	16.019271
"35575"	447.132666	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M-2H+Na"	20.974666
"476228"	660.211666	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M-2H+Na"	20.974666
"849657"	234.053666	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-2H+Na"	20.974666
"1625759"	234.053666	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Na-2H"	20.974666
"101193"	230.060063	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M-H+Cl"	33.962126
"541851"	336.599563	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M-H+Cl"	33.962126
"941567"	123.520563	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-H+Cl"	33.962126
"280489"	461.127402	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+Cl"	34.969402
"671816"	674.206402	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+Cl"	34.969402
"1278754"	248.048402	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Cl"	34.969402
"22402"	463.106606	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M-2H+K"	36.948606
"457587"	676.185606	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M-2H+K"	36.948606
"837580"	250.027606	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-2H+K"	36.948606
"1556814"	250.027606	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+K-2H"	36.948606
"943602"	258.077194	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-H+HCOOH"	44.998194
"368259"	471.156201	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+HCOOH-H"	44.998201
"345900"	485.171851	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+Hac-H"	59.013851
"1492954"	272.092851	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Hac-H"	59.013851
"969255"	280.059151	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-H+NaCOOH"	66.980151
"123264"	248.048402	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+2Cl"	69.938804
"560271"	354.587902	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+2Cl"	69.938804
"1035998"	141.508902	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2Cl"	69.938804
"1255212"	291.997885	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Br"	78.918885
"1307819"	294.053872	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Cl+HCOOH"	80.974872
"1324220"	316.035829	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Cl+NaCOOH"	102.956829
"913090"	326.064586	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M-H+CF3COOH"	112.985586
"1289797"	362.041264	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Cl+CF3COOH"	148.962264
"1371238"	178.066324	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H-2H2O"	-35.012676
"1383267"	196.0763	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H-H2O"	-17.0027
"287326"	427.165276	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+H"	1.007276
"676591"	640.244276	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+H"	1.007276
"1351521"	214.086276	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H"	1.007276
"126071"	214.086276	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+2H"	2.014552
"565781"	320.625776	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+2H"	2.014552
"1037715"	107.546776	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2H"	2.014552
"205975"	143.059942666667	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+3H"	3.021828
"644568"	214.086276	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+3H"	3.021828
"1163300"	72.0336093333333	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+3H"	3.021828
"426942"	444.191823	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+NH4"	18.033823
"787208"	657.270823	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+NH4"	18.033823
"1682807"	231.112823	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+NH4"	18.033823
"331449"	222.5995495	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+H+NH4"	19.041099
"724599"	329.1390495	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+H+NH4"	19.041099
"1490830"	116.0600495	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H+NH4"	19.041099
"400031"	449.147218	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+Na"	22.989218
"762119"	662.226218	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+Na"	22.989218
"1611309"	236.068218	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Na"	22.989218
"319158"	225.077247	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+H+Na"	23.996494
"713769"	331.616747	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+H+Na"	23.996494
"1471969"	118.537747	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H+Na"	23.996494
"1066309"	79.3609233333333	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2H+Na"	25.00377
"1266528"	246.112486	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+CH3OH+H"	33.033486
"390936"	465.121158	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+K"	38.963158
"751566"	678.200158	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+K"	38.963158
"1555087"	252.042158	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+K"	38.963158
"313354"	233.064217	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+H+K"	39.970434
"705041"	339.603717	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+H+K"	39.970434
"1457767"	126.524717	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H+K"	39.970434
"248920"	468.191826	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+ACN+H"	42.033826
"1224179"	255.112826	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+ACN+H"	42.033826
"1208553"	128.060051	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+ACN+2H"	43.041102
"201298"	471.12916	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+2Na-H"	44.97116
"643537"	684.20816	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+2Na-H"	44.97116
"1145458"	258.05016	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2Na-H"	44.97116
"184011"	236.068218	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+2Na"	45.978436
"622478"	342.607718	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+2Na"	45.978436
"1128170"	129.528718	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2Na"	45.978436
"1408412"	86.6882373333333	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H+2Na"	46.985712
"1440528"	260.091746	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H+HCOOH"	47.012746
"228036"	241.10124	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+3H2O+2H"	56.04448
"1511726"	274.14379	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+IsoProp+H"	61.06479
"413596"	244.055188	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+Na+K"	61.952376
"780058"	350.594688	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+Na+K"	61.952376
"1667643"	137.515688	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Na+K"	61.952376
"252824"	490.173768	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+ACN+Na"	64.015768
"1227237"	277.094768	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+ACN+Na"	64.015768
"1715393"	277.118293	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+NH4+HCOOH"	64.039293
"1179290"	94.0155513333333	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+3Na"	68.967654
"1650273"	282.073688	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Na+HCOOH"	68.994688
"158593"	503.07704	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+2K-H"	76.91904
"598884"	716.15604	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+2K-H"	76.91904
"1086313"	289.99804	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2K-H"	76.91904
"143259"	252.042158	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"2M+2K"	77.926316
"584885"	358.581658	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"3M+2K"	77.926316
"1082524"	145.502658	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2K"	77.926316
"1105893"	292.012592	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2K+H"	78.933592
"1338996"	292.100207	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+DMSO+H"	79.021207
"1006188"	296.139376	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2ACN+H"	83.060376
"1524915"	297.133008	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+IsoProp+Na+H"	84.054008
"993558"	148.573326	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+2ACN+2H"	84.067652
"1589156"	298.047628	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+K+HCOOH"	84.968628
"1414693"	328.079138	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+H+CF3COOH"	115.000138
"1147775"	169.086601	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+3ACN+2H"	125.094202
"1701947"	345.105685	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+NH4+CF3COOH"	132.026685
"1635410"	350.06108	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+Na+CF3COOH"	136.98208
"1576528"	366.03502	"C18915"	"Salicylanilide"	"C13H11NO2"	"213.079"	"M+K+CF3COOH"	152.95602
"813458"	339.0196	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M"	0
"985897"	320.00121	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-H2O-H"	-19.01839
"78028"	225.005790666667	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M-3H"	-3.021828
"516982"	338.012324	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M-3H"	-3.021828
"894907"	111.999257333333	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-3H"	-3.021828
"10079"	338.012324	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M-2H"	-2.014552
"452557"	507.522124	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M-2H"	-2.014552
"831825"	168.502524	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-2H"	-2.014552
"93391"	677.031924	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M-H"	-1.007276
"525904"	1016.051524	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M-H"	-1.007276
"902611"	338.012324	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-H"	-1.007276
"56984"	694.058471	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M-2H+NH4"	16.019271
"489983"	1033.078071	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M-2H+NH4"	16.019271
"869971"	355.038871	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-2H+NH4"	16.019271
"32405"	699.013866	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M-2H+Na"	20.974666
"475245"	1038.033466	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M-2H+Na"	20.974666
"849280"	359.994266	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-2H+Na"	20.974666
"1628057"	359.994266	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Na-2H"	20.974666
"103492"	356.000663	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M-H+Cl"	33.962126
"540863"	525.510463	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M-H+Cl"	33.962126
"939490"	186.490863	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-H+Cl"	33.962126
"280235"	713.008602	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+Cl"	34.969402
"671926"	1052.028202	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+Cl"	34.969402
"1278864"	373.989002	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Cl"	34.969402
"19233"	714.987806	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M-2H+K"	36.948606
"459885"	1054.007406	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M-2H+K"	36.948606
"835503"	375.968206	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-2H+K"	36.948606
"1558991"	375.968206	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+K-2H"	36.948606
"943265"	384.017794	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-H+HCOOH"	44.998194
"368369"	723.037401	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+HCOOH-H"	44.998201
"345704"	737.053051	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+Hac-H"	59.013851
"1493308"	398.033451	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Hac-H"	59.013851
"961340"	405.999751	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-H+NaCOOH"	66.980151
"116446"	373.989002	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+2Cl"	69.938804
"560381"	543.498802	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+2Cl"	69.938804
"1023712"	204.479202	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2Cl"	69.938804
"1255687"	417.938485	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Br"	78.918885
"1307929"	419.994472	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Cl+HCOOH"	80.974872
"1324330"	441.976429	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Cl+NaCOOH"	102.956829
"913321"	452.005186	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M-H+CF3COOH"	112.985586
"1289297"	487.981864	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Cl+CF3COOH"	148.962264
"1369160"	304.006924	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H-2H2O"	-35.012676
"1383982"	322.0169	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H-H2O"	-17.0027
"286343"	679.046476	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+H"	1.007276
"677795"	1018.066076	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+H"	1.007276
"1356210"	340.026876	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H"	1.007276
"131286"	340.026876	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+2H"	2.014552
"566472"	509.536676	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+2H"	2.014552
"1038550"	170.517076	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2H"	2.014552
"206084"	227.020342666667	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+3H"	3.021828
"645043"	340.026876	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+3H"	3.021828
"1163529"	114.013809333333	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+3H"	3.021828
"425465"	696.073023	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+NH4"	18.033823
"787066"	1035.092623	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+NH4"	18.033823
"1681495"	357.053423	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+NH4"	18.033823
"330828"	348.5401495	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+H+NH4"	19.041099
"723855"	518.0499495	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+H+NH4"	19.041099
"1489118"	179.0303495	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H+NH4"	19.041099
"402327"	701.028418	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+Na"	22.989218
"758947"	1040.048018	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+Na"	22.989218
"1611419"	362.008818	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Na"	22.989218
"315376"	351.017847	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+H+Na"	23.996494
"713879"	520.527647	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+H+Na"	23.996494
"1472808"	181.508047	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H+Na"	23.996494
"1067148"	121.341123333333	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2H+Na"	25.00377
"1266637"	372.053086	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+CH3OH+H"	33.033486
"389589"	717.002358	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+K"	38.963158
"751312"	1056.021958	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+K"	38.963158
"1555525"	377.982758	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+K"	38.963158
"313709"	359.004817	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+H+K"	39.970434
"705151"	528.514617	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+H+K"	39.970434
"1457513"	189.495017	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H+K"	39.970434
"250736"	720.073026	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+ACN+H"	42.033826
"1224289"	381.053426	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+ACN+H"	42.033826
"1208663"	191.030351	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+ACN+2H"	43.041102
"201408"	723.01036	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+2Na-H"	44.97116
"643768"	1062.02996	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+2Na-H"	44.97116
"1144840"	383.99076	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2Na-H"	44.97116
"186917"	362.008818	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+2Na"	45.978436
"624411"	531.518618	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+2Na"	45.978436
"1128284"	192.499018	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2Na"	45.978436
"1409615"	128.668437333333	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H+2Na"	46.985712
"1442461"	386.032346	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H+HCOOH"	47.012746
"230333"	367.04184	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+3H2O+2H"	56.04448
"1515116"	400.08439	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+IsoProp+H"	61.06479
"415893"	369.995788	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+Na+K"	61.952376
"780168"	539.505588	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+Na+K"	61.952376
"1668479"	200.485988	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Na+K"	61.952376
"253177"	742.054968	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+ACN+Na"	64.015768
"1227349"	403.035368	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+ACN+Na"	64.015768
"1715138"	403.058893	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+NH4+HCOOH"	64.039293
"1181955"	135.995751333333	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+3Na"	68.967654
"1652210"	408.014288	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Na+HCOOH"	68.994688
"160162"	754.95824	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+2K-H"	76.91904
"599723"	1093.97784	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+2K-H"	76.91904
"1085695"	415.93864	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2K-H"	76.91904
"145436"	377.982758	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"2M+2K"	77.926316
"587549"	547.492558	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"3M+2K"	77.926316
"1082271"	208.472958	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2K"	77.926316
"1108919"	417.953192	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2K+H"	78.933592
"1336796"	418.040807	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+DMSO+H"	79.021207
"1007758"	422.079976	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2ACN+H"	83.060376
"1525273"	423.073608	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+IsoProp+Na+H"	84.054008
"992575"	211.543626	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+2ACN+2H"	84.067652
"1592183"	423.988228	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+K+HCOOH"	84.968628
"1418572"	454.019738	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+H+CF3COOH"	115.000138
"1147236"	232.056901	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+3ACN+2H"	125.094202
"1702057"	471.046285	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+NH4+CF3COOH"	132.026685
"1635520"	476.00168	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+Na+CF3COOH"	136.98208
"1576638"	491.97562	"C18916"	"Trichlamide"	"C13H16Cl3NO3"	"339.0196"	"M+K+CF3COOH"	152.95602
"814661"	329.1488	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M"	0
"986007"	310.13041	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-H2O-H"	-19.01839
"78496"	218.425257333333	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M-3H"	-3.021828
"518452"	328.141524	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M-3H"	-3.021828
"895382"	108.708990666667	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-3H"	-3.021828
"9096"	328.141524	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M-2H"	-2.014552
"451938"	492.715924	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M-2H"	-2.014552
"828283"	163.567124	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-2H"	-2.014552
"90826"	657.290324	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M-H"	-1.007276
"523827"	986.439124	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M-H"	-1.007276
"898712"	328.141524	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-H"	-1.007276
"52722"	674.316871	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M-2H+NH4"	16.019271
"489121"	1003.465671	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M-2H+NH4"	16.019271
"871175"	345.168071	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-2H+NH4"	16.019271
"35795"	679.272266	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M-2H+Na"	20.974666
"477543"	1008.421066	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M-2H+Na"	20.974666
"850606"	350.123466	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-2H+Na"	20.974666
"1624879"	350.123466	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Na-2H"	20.974666
"98127"	346.129863	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M-H+Cl"	33.962126
"536600"	510.704263	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M-H+Cl"	33.962126
"940693"	181.555463	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-H+Cl"	33.962126
"281560"	693.267002	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+Cl"	34.969402
"668756"	1022.415802	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+Cl"	34.969402
"1278974"	364.118202	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Cl"	34.969402
"19343"	695.246206	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M-2H+K"	36.948606
"456711"	1024.395006	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M-2H+K"	36.948606
"833789"	366.097406	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-2H+K"	36.948606
"1557277"	366.097406	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+K-2H"	36.948606
"943010"	374.146994	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-H+HCOOH"	44.998194
"363012"	703.295801	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+HCOOH-H"	44.998201
"346404"	717.311451	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+Hac-H"	59.013851
"1494147"	388.162651	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Hac-H"	59.013851
"962179"	396.128951	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-H+NaCOOH"	66.980151
"116556"	364.118202	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+2Cl"	69.938804
"563771"	528.692602	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+2Cl"	69.938804
"1024915"	199.543802	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2Cl"	69.938804
"1252151"	408.067685	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Br"	78.918885
"1310223"	410.123672	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Cl+HCOOH"	80.974872
"1321883"	432.105629	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Cl+NaCOOH"	102.956829
"912576"	442.134386	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M-H+CF3COOH"	112.985586
"1289279"	478.111064	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Cl+CF3COOH"	148.962264
"1367446"	294.136124	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H-2H2O"	-35.012676
"1383280"	312.1461	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H-H2O"	-17.0027
"286453"	659.304876	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+H"	1.007276
"676812"	988.453676	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+H"	1.007276
"1353040"	330.156076	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H"	1.007276
"129210"	330.156076	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+2H"	2.014552
"567676"	494.730476	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+2H"	2.014552
"1039388"	165.581676	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2H"	2.014552
"205827"	220.439809333333	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+3H"	3.021828
"644462"	330.156076	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+3H"	3.021828
"1163760"	110.723542666667	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+3H"	3.021828
"424762"	676.331423	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+NH4"	18.033823
"786569"	1005.480223	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+NH4"	18.033823
"1684119"	347.182623	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+NH4"	18.033823
"333856"	338.6693495	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+H+NH4"	19.041099
"723599"	503.2437495	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+H+NH4"	19.041099
"1489957"	174.0949495	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H+NH4"	19.041099
"405717"	681.286818	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+Na"	22.989218
"761243"	1010.435618	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+Na"	22.989218
"1612622"	352.138018	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Na"	22.989218
"315366"	341.147047	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+H+Na"	23.996494
"717269"	505.721447	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+H+Na"	23.996494
"1473283"	176.572647	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H+Na"	23.996494
"1064343"	118.050856666667	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2H+Na"	25.00377
"1271121"	362.182286	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+CH3OH+H"	33.033486
"389699"	697.260758	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+K"	38.963158
"751786"	1026.409558	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+K"	38.963158
"1552748"	368.111958	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+K"	38.963158
"313210"	349.134017	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+H+K"	39.970434
"705261"	513.708417	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+H+K"	39.970434
"1460908"	184.559617	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H+K"	39.970434
"249140"	700.331426	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+ACN+H"	42.033826
"1217837"	371.182626	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+ACN+H"	42.033826
"1199533"	186.094951	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+ACN+2H"	43.041102
"201154"	703.26876	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+2Na-H"	44.97116
"634150"	1032.41756	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+2Na-H"	44.97116
"1146327"	374.11996	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2Na-H"	44.97116
"185689"	352.138018	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+2Na"	45.978436
"624883"	516.712418	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+2Na"	45.978436
"1128025"	187.563618	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2Na"	45.978436
"1406444"	125.378170666667	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H+2Na"	46.985712
"1439654"	376.161546	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H+HCOOH"	47.012746
"232629"	357.17104	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+3H2O+2H"	56.04448
"1519599"	390.21359	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+IsoProp+H"	61.06479
"414910"	360.124988	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+Na+K"	61.952376
"774446"	524.699388	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+Na+K"	61.952376
"1667495"	195.550588	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Na+K"	61.952376
"252558"	722.313368	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+ACN+Na"	64.015768
"1228549"	393.164568	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+ACN+Na"	64.015768
"1713542"	393.188093	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+NH4+HCOOH"	64.039293
"1182064"	132.705484666667	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+3Na"	68.967654
"1652196"	398.143488	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Na+HCOOH"	68.994688
"158449"	735.21664	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+2K-H"	76.91904
"601655"	1064.36544	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+2K-H"	76.91904
"1087263"	406.06784	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2K-H"	76.91904
"146639"	368.111958	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"2M+2K"	77.926316
"589480"	532.686358	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"3M+2K"	77.926316
"1077276"	203.537558	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2K"	77.926316
"1111945"	408.082392	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2K+H"	78.933592
"1338244"	408.170007	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+DMSO+H"	79.021207
"1007747"	412.209176	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2ACN+H"	83.060376
"1526963"	413.202808	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+IsoProp+Na+H"	84.054008
"990984"	206.608226	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+2ACN+2H"	84.067652
"1590107"	414.117428	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+K+HCOOH"	84.968628
"1415518"	444.148938	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+H+CF3COOH"	115.000138
"1148603"	227.121501	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+3ACN+2H"	125.094202
"1701074"	461.175485	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+NH4+CF3COOH"	132.026685
"1635630"	466.13088	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+Na+CF3COOH"	136.98208
"1574562"	482.10482	"C18917"	"Cypendazole"	"C16H19N5O3"	"329.1488"	"M+K+CF3COOH"	152.95602
"814773"	370.0769	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M"	0
"988915"	351.05851	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-H2O-H"	-19.01839
"77280"	245.710657333333	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M-3H"	-3.021828
"517853"	369.069624	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M-3H"	-3.021828
"895090"	122.351690666667	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-3H"	-3.021828
"8113"	369.069624	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M-2H"	-2.014552
"453143"	554.108074	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M-2H"	-2.014552
"832040"	184.031174	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-2H"	-2.014552
"90937"	739.146524	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M-H"	-1.007276
"521751"	1109.223424	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M-H"	-1.007276
"903926"	369.069624	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-H"	-1.007276
"51739"	756.173071	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M-2H+NH4"	16.019271
"492391"	1126.249971	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M-2H+NH4"	16.019271
"868005"	386.096171	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-2H+NH4"	16.019271
"38093"	761.128466	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M-2H+Na"	20.974666
"476561"	1131.205366	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M-2H+Na"	20.974666
"855456"	391.051566	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-2H+Na"	20.974666
"1627178"	391.051566	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Na-2H"	20.974666
"101518"	387.057963	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M-H+Cl"	33.962126
"536710"	572.096413	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M-H+Cl"	33.962126
"934606"	202.019513	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-H+Cl"	33.962126
"280819"	775.123202	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+Cl"	34.969402
"668866"	1145.200102	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+Cl"	34.969402
"1279084"	405.046302	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Cl"	34.969402
"19453"	777.102406	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M-2H+K"	36.948606
"456336"	1147.179306	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M-2H+K"	36.948606
"834264"	407.025506	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-2H+K"	36.948606
"1555926"	407.025506	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+K-2H"	36.948606
"943080"	415.075094	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-H+HCOOH"	44.998194
"363122"	785.152001	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+HCOOH-H"	44.998201
"346273"	799.167651	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+Hac-H"	59.013851
"1494744"	429.090751	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Hac-H"	59.013851
"962653"	437.057051	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-H+NaCOOH"	66.980151
"119947"	405.046302	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+2Cl"	69.938804
"563881"	590.084752	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+2Cl"	69.938804
"1023932"	220.007852	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2Cl"	69.938804
"1252261"	448.995785	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Br"	78.918885
"1311427"	451.051772	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Cl+HCOOH"	80.974872
"1324548"	473.033729	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Cl+NaCOOH"	102.956829
"913415"	483.062486	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M-H+CF3COOH"	112.985586
"1289395"	519.039164	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Cl+CF3COOH"	148.962264
"1369744"	335.064224	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H-2H2O"	-35.012676
"1384691"	353.0742	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H-H2O"	-17.0027
"285833"	741.161076	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+H"	1.007276
"676069"	1111.237976	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+H"	1.007276
"1352782"	371.084176	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H"	1.007276
"128590"	371.084176	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+2H"	2.014552
"566200"	556.122626	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+2H"	2.014552
"1039133"	186.045726	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2H"	2.014552
"204853"	247.725209333333	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+3H"	3.021828
"647332"	371.084176	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+3H"	3.021828
"1163387"	124.366242666667	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+3H"	3.021828
"425320"	758.187623	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+NH4"	18.033823
"787531"	1128.264523	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+NH4"	18.033823
"1682768"	388.110723	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+NH4"	18.033823
"334331"	379.5974495	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+H+NH4"	19.041099
"723469"	564.6358995	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+H+NH4"	19.041099
"1490067"	194.5589995	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H+NH4"	19.041099
"406192"	763.143018	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+Na"	22.989218
"760260"	1133.219918	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+Na"	22.989218
"1608357"	393.066118	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Na"	22.989218
"317298"	382.075147	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+H+Na"	23.996494
"714099"	567.113597	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+H+Na"	23.996494
"1472299"	197.036697	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H+Na"	23.996494
"1065546"	131.693556666667	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2H+Na"	25.00377
"1269407"	403.110386	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+CH3OH+H"	33.033486
"389080"	779.116958	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+K"	38.963158
"751896"	1149.193858	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+K"	38.963158
"1552859"	409.040058	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+K"	38.963158
"313845"	390.062117	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+H+K"	39.970434
"703184"	575.100567	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+H+K"	39.970434
"1459920"	205.023667	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H+K"	39.970434
"246332"	782.187626	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+ACN+H"	42.033826
"1219040"	412.110726	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+ACN+H"	42.033826
"1200736"	206.559001	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+ACN+2H"	43.041102
"201264"	785.12496	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+2Na-H"	44.97116
"634260"	1155.20186	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+2Na-H"	44.97116
"1145911"	415.04806	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2Na-H"	44.97116
"184339"	393.066118	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+2Na"	45.978436
"622806"	578.104568	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+2Na"	45.978436
"1127406"	208.027668	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2Na"	45.978436
"1406554"	139.020870666667	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H+2Na"	46.985712
"1440859"	417.089646	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H+HCOOH"	47.012746
"232739"	398.09914	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+3H2O+2H"	56.04448
"1515336"	431.14169	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+IsoProp+H"	61.06479
"416114"	401.053088	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+Na+K"	61.952376
"777110"	586.091538	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+Na+K"	61.952376
"1668700"	216.014638	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Na+K"	61.952376
"257407"	804.169568	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+ACN+Na"	64.015768
"1226471"	434.092668	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+ACN+Na"	64.015768
"1714993"	434.116193	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+NH4+HCOOH"	64.039293
"1178683"	146.348184666667	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+3Na"	68.967654
"1651699"	439.071588	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Na+HCOOH"	68.994688
"159653"	817.07284	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+2K-H"	76.91904
"599214"	1187.14974	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+2K-H"	76.91904
"1087374"	446.99594	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2K-H"	76.91904
"143468"	409.040058	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"2M+2K"	77.926316
"583027"	594.078508	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"3M+2K"	77.926316
"1080303"	224.001608	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2K"	77.926316
"1109503"	449.010492	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2K+H"	78.933592
"1342608"	449.098107	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+DMSO+H"	79.021207
"1010045"	453.137276	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2ACN+H"	83.060376
"1524179"	454.130908	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+IsoProp+Na+H"	84.054008
"992432"	227.072276	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+2ACN+2H"	84.067652
"1587785"	455.045528	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+K+HCOOH"	84.968628
"1423532"	485.077038	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+H+CF3COOH"	115.000138
"1147106"	247.585551	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+3ACN+2H"	125.094202
"1700091"	502.103585	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+NH4+CF3COOH"	132.026685
"1635740"	507.05898	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+Na+CF3COOH"	136.98208
"1574672"	523.03292	"C18918"	"Thiophanate"	"C14H18N4O4S2"	"370.0769"	"M+K+CF3COOH"	152.95602
"813788"	395.0415	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M"	0
"986227"	376.02311	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-H2O-H"	-19.01839
"77631"	262.353724	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M-3H"	-3.021828
"517557"	394.034224	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M-3H"	-3.021828
"893537"	130.673224	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-3H"	-3.021828
"12595"	394.034224	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M-2H"	-2.014552
"454954"	591.554974	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M-2H"	-2.014552
"829960"	196.513474	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-2H"	-2.014552
"93118"	789.075724	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M-H"	-1.007276
"524048"	1184.117224	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M-H"	-1.007276
"904037"	394.034224	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-H"	-1.007276
"56221"	806.102271	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M-2H+NH4"	16.019271
"494687"	1201.143771	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M-2H+NH4"	16.019271
"868115"	411.060771	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-2H+NH4"	16.019271
"38203"	811.057666	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M-2H+Na"	20.974666
"479951"	1206.099166	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M-2H+Na"	20.974666
"855565"	416.016166	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-2H+Na"	20.974666
"1625100"	416.016166	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Na-2H"	20.974666
"100535"	412.022563	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M-H+Cl"	33.962126
"536456"	609.543313	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M-H+Cl"	33.962126
"931436"	214.501813	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-H+Cl"	33.962126
"280929"	825.052402	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+Cl"	34.969402
"668976"	1220.093902	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+Cl"	34.969402
"1280288"	430.010902	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Cl"	34.969402
"23937"	827.031606	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M-2H+K"	36.948606
"460216"	1222.073106	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M-2H+K"	36.948606
"835832"	431.990106	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-2H+K"	36.948606
"1556767"	431.990106	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+K-2H"	36.948606
"943922"	440.039694	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-H+HCOOH"	44.998194
"361684"	835.081201	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+HCOOH-H"	44.998201
"346263"	849.096851	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+Hac-H"	59.013851
"1494854"	454.055351	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Hac-H"	59.013851
"962399"	462.021651	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-H+NaCOOH"	66.980151
"121151"	430.010902	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+2Cl"	69.938804
"562898"	627.531652	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+2Cl"	69.938804
"1022219"	232.490152	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2Cl"	69.938804
"1250184"	473.960385	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Br"	78.918885
"1311537"	476.016372	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Cl+HCOOH"	80.974872
"1324658"	497.998329	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Cl+NaCOOH"	102.956829
"913163"	508.027086	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M-H+CF3COOH"	112.985586
"1290600"	544.003764	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Cl+CF3COOH"	148.962264
"1369491"	360.028824	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H-2H2O"	-35.012676
"1385893"	378.0388	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H-H2O"	-17.0027
"283757"	791.090276	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+H"	1.007276
"676422"	1186.131776	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+H"	1.007276
"1352167"	396.048776	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H"	1.007276
"131616"	396.048776	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+2H"	2.014552
"568990"	593.569526	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+2H"	2.014552
"1039244"	198.528026	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2H"	2.014552
"205328"	264.368276	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+3H"	3.021828
"646714"	396.048776	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+3H"	3.021828
"1163375"	132.687776	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+3H"	3.021828
"425067"	808.116823	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+NH4"	18.033823
"786914"	1203.158323	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+NH4"	18.033823
"1682150"	413.075323	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+NH4"	18.033823
"332982"	404.5620495	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+H+NH4"	19.041099
"723172"	602.0827995	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+H+NH4"	19.041099
"1489448"	207.0412995	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H+NH4"	19.041099
"406666"	813.072218	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+Na"	22.989218
"759277"	1208.113718	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+Na"	22.989218
"1608467"	418.030718	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Na"	22.989218
"314653"	407.039747	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+H+Na"	23.996494
"715302"	604.560497	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+H+Na"	23.996494
"1471315"	209.518997	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H+Na"	23.996494
"1063469"	140.01509	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2H+Na"	25.00377
"1266239"	428.074986	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+CH3OH+H"	33.033486
"389919"	829.046158	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+K"	38.963158
"747995"	1224.087658	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+K"	38.963158
"1550046"	434.004658	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+K"	38.963158
"309416"	415.026717	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+H+K"	39.970434
"697460"	612.547467	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+H+K"	39.970434
"1455655"	217.505967	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H+K"	39.970434
"246442"	832.116826	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+ACN+H"	42.033826
"1219150"	437.075326	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+ACN+H"	42.033826
"1199752"	219.041301	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+ACN+2H"	43.041102
"201010"	835.05416	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+2Na-H"	44.97116
"634370"	1230.09566	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+2Na-H"	44.97116
"1144442"	440.01266	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2Na-H"	44.97116
"180076"	418.030718	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+2Na"	45.978436
"620729"	615.551468	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+2Na"	45.978436
"1122048"	220.509968	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2Na"	45.978436
"1405570"	147.342404	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H+2Na"	46.985712
"1439876"	442.054246	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H+HCOOH"	47.012746
"232850"	423.06374	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+3H2O+2H"	56.04448
"1515080"	456.10629	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+IsoProp+H"	61.06479
"414766"	426.017688	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+Na+K"	61.952376
"772114"	623.538438	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+Na+K"	61.952376
"1667352"	228.496938	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Na+K"	61.952376
"256059"	854.098768	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+ACN+Na"	64.015768
"1228768"	459.057268	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+ACN+Na"	64.015768
"1713402"	459.080793	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+NH4+HCOOH"	64.039293
"1178627"	154.669718	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+3Na"	68.967654
"1651809"	464.036188	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Na+HCOOH"	68.994688
"157698"	867.00204	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+2K-H"	76.91904
"598595"	1262.04354	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+2K-H"	76.91904
"1085415"	471.96054	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2K-H"	76.91904
"144671"	434.004658	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"2M+2K"	77.926316
"587512"	631.525408	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"3M+2K"	77.926316
"1080778"	236.483908	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2K"	77.926316
"1112893"	473.975092	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2K+H"	78.933592
"1347092"	474.062707	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+DMSO+H"	79.021207
"1012343"	478.101876	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2ACN+H"	83.060376
"1527187"	479.095508	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+IsoProp+Na+H"	84.054008
"990354"	239.554576	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+2ACN+2H"	84.067652
"1590326"	480.010128	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+K+HCOOH"	84.968628
"1418174"	510.041638	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+H+CF3COOH"	115.000138
"1148462"	260.067851	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+3ACN+2H"	125.094202
"1705669"	527.068185	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+NH4+CF3COOH"	132.026685
"1643506"	532.02358	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+Na+CF3COOH"	136.98208
"1574782"	547.99752	"C18919"	"Furconazole-cis"	"C15H14Cl2F3N3O2"	"395.0415"	"M+K+CF3COOH"	152.95602
"816085"	220.9968	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M"	0
"986337"	201.97841	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-H2O-H"	-19.01839
"74578"	146.323924	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M-3H"	-3.021828
"518365"	219.989524	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M-3H"	-3.021828
"889754"	72.658324	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-3H"	-3.021828
"13799"	219.989524	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M-2H"	-2.014552
"455190"	330.487924	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M-2H"	-2.014552
"832024"	109.491124	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-2H"	-2.014552
"92253"	440.986324	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M-H"	-1.007276
"524159"	661.983124	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M-H"	-1.007276
"905242"	219.989524	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-H"	-1.007276
"55239"	458.012871	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M-2H+NH4"	16.019271
"495890"	679.009671	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M-2H+NH4"	16.019271
"869319"	237.016071	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-2H+NH4"	16.019271
"39407"	462.968266	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M-2H+Na"	20.974666
"483344"	683.965066	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M-2H+Na"	20.974666
"857865"	241.971466	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-2H+Na"	20.974666
"1629585"	241.971466	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Na-2H"	20.974666
"105022"	237.977863	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M-H+Cl"	33.962126
"541305"	348.476263	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M-H+Cl"	33.962126
"928627"	127.479463	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-H+Cl"	33.962126
"278852"	476.963002	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+Cl"	34.969402
"662889"	697.959802	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+Cl"	34.969402
"1279304"	255.966202	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Cl"	34.969402
"26234"	478.942206	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M-2H+K"	36.948606
"460326"	699.939006	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M-2H+K"	36.948606
"835213"	257.945406	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-2H+K"	36.948606
"1557606"	257.945406	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+K-2H"	36.948606
"944031"	265.994994	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-H+HCOOH"	44.998194
"362609"	486.991801	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+HCOOH-H"	44.998201
"346494"	501.007451	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+Hac-H"	59.013851
"1493261"	280.010651	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Hac-H"	59.013851
"962509"	287.976951	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-H+NaCOOH"	66.980151
"121261"	255.966202	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+2Cl"	69.938804
"565561"	366.464602	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+2Cl"	69.938804
"1027433"	145.467802	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2Cl"	69.938804
"1252481"	299.915685	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Br"	78.918885
"1309460"	301.971672	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Cl+HCOOH"	80.974872
"1324768"	323.953629	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Cl+NaCOOH"	102.956829
"914731"	333.982386	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M-H+CF3COOH"	112.985586
"1291439"	369.959064	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Cl+CF3COOH"	148.962264
"1370693"	185.984124	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H-2H2O"	-35.012676
"1389285"	203.9941	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H-H2O"	-17.0027
"290065"	443.000876	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+H"	1.007276
"678476"	663.997676	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+H"	1.007276
"1353122"	222.004076	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H"	1.007276
"132820"	222.004076	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+2H"	2.014552
"571287"	332.502476	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+2H"	2.014552
"1040086"	111.505676	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2H"	2.014552
"211274"	148.338476	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+3H"	3.021828
"645844"	222.004076	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+3H"	3.021828
"1164093"	74.672876	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+3H"	3.021828
"426759"	460.027423	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+NH4"	18.033823
"788117"	681.024223	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+NH4"	18.033823
"1686639"	239.030623	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+NH4"	18.033823
"332000"	230.5173495	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+H+NH4"	19.041099
"725877"	341.0157495	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+H+NH4"	19.041099
"1490287"	120.0189495	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H+NH4"	19.041099
"405684"	464.982818	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+Na"	22.989218
"760480"	685.979618	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+Na"	22.989218
"1609671"	243.986018	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Na"	22.989218
"315332"	232.995047	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+H+Na"	23.996494
"714318"	343.493447	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+H+Na"	23.996494
"1467053"	122.496647	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H+Na"	23.996494
"1062122"	82.00019	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2H+Na"	25.00377
"1266349"	254.030286	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+CH3OH+H"	33.033486
"388937"	480.956758	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+K"	38.963158
"745919"	701.953558	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+K"	38.963158
"1546877"	259.959958	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+K"	38.963158
"310982"	240.982017	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+H+K"	39.970434
"701215"	351.480417	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+H+K"	39.970434
"1457224"	130.483617	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H+K"	39.970434
"246188"	484.027426	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+ACN+H"	42.033826
"1213793"	263.030626	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+ACN+H"	42.033826
"1199862"	132.018951	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+ACN+2H"	43.041102
"200756"	486.96476	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+2Na-H"	44.97116
"636669"	707.96156	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+2Na-H"	44.97116
"1145524"	265.96796	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2Na-H"	44.97116
"182374"	243.986018	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+2Na"	45.978436
"623756"	354.484418	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+2Na"	45.978436
"1123252"	133.487618	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2Na"	45.978436
"1405683"	89.327504	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H+2Na"	46.985712
"1438892"	268.009546	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H+HCOOH"	47.012746
"232595"	249.01904	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+3H2O+2H"	56.04448
"1513370"	282.06159	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+IsoProp+H"	61.06479
"414512"	251.972988	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+Na+K"	61.952376
"775870"	362.471388	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+Na+K"	61.952376
"1672569"	141.474588	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Na+K"	61.952376
"257265"	506.009368	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+ACN+Na"	64.015768
"1228515"	285.012568	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+ACN+Na"	64.015768
"1712764"	285.036093	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+NH4+HCOOH"	64.039293
"1182027"	96.654818	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+3Na"	68.967654
"1652650"	289.991488	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Na+HCOOH"	68.994688
"160240"	518.91264	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+2K-H"	76.91904
"599435"	739.90944	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+2K-H"	76.91904
"1085161"	297.91584	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2K-H"	76.91904
"141662"	259.959958	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"2M+2K"	77.926316
"585436"	370.458358	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"3M+2K"	77.926316
"1081980"	149.461558	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2K"	77.926316
"1105349"	299.930392	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2K+H"	78.933592
"1345014"	300.018007	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+DMSO+H"	79.021207
"1013544"	304.057176	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2ACN+H"	83.060376
"1529483"	305.050808	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+IsoProp+Na+H"	84.054008
"991194"	152.532226	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+2ACN+2H"	84.067652
"1589707"	305.965428	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+K+HCOOH"	84.968628
"1417189"	335.996938	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+H+CF3COOH"	115.000138
"1149666"	173.045501	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+3ACN+2H"	125.094202
"1699218"	353.023485	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+NH4+CF3COOH"	132.026685
"1643616"	357.97888	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+Na+CF3COOH"	136.98208
"1574892"	373.95282	"C18920"	"Fluoromidine"	"C7H3ClF3N3"	"220.9968"	"M+K+CF3COOH"	152.95602
"816074"	303.0065	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M"	0
"985354"	283.98811	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-H2O-H"	-19.01839
"77812"	200.997057333333	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M-3H"	-3.021828
"516803"	301.999224	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M-3H"	-3.021828
"893144"	99.9948906666667	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-3H"	-3.021828
"12815"	301.999224	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M-2H"	-2.014552
"455583"	453.502474	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M-2H"	-2.014552
"832247"	150.495974	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-2H"	-2.014552
"93218"	605.005724	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M-H"	-1.007276
"522446"	908.012224	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M-H"	-1.007276
"905352"	301.999224	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-H"	-1.007276
"56443"	622.032271	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M-2H+NH4"	16.019271
"498189"	925.038771	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M-2H+NH4"	16.019271
"874899"	319.025771	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-2H+NH4"	16.019271
"40612"	626.987666	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M-2H+Na"	20.974666
"485280"	929.994166	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M-2H+Na"	20.974666
"860162"	323.981166	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-2H+Na"	20.974666
"1628604"	323.981166	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Na-2H"	20.974666
"102946"	319.987563	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M-H+Cl"	33.962126
"540323"	471.490813	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M-H+Cl"	33.962126
"928735"	168.484313	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-H+Cl"	33.962126
"271301"	640.982402	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+Cl"	34.969402
"662263"	943.988902	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+Cl"	34.969402
"1274667"	337.975902	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Cl"	34.969402
"16863"	642.961606	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M-2H+K"	36.948606
"457154"	945.968106	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M-2H+K"	36.948606
"836052"	339.955106	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-2H+K"	36.948606
"1558446"	339.955106	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+K-2H"	36.948606
"943534"	348.004694	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-H+HCOOH"	44.998194
"362355"	651.011201	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+HCOOH-H"	44.998201
"346724"	665.026851	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+Hac-H"	59.013851
"1493615"	362.020351	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Hac-H"	59.013851
"962983"	369.986651	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-H+NaCOOH"	66.980151
"121371"	337.975902	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+2Cl"	69.938804
"562026"	489.479152	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+2Cl"	69.938804
"1027543"	186.472652	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2Cl"	69.938804
"1252591"	381.925385	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Br"	78.918885
"1310663"	383.981372	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Cl+HCOOH"	80.974872
"1327066"	405.963329	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Cl+NaCOOH"	102.956829
"913748"	415.992086	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M-H+CF3COOH"	112.985586
"1293737"	451.968764	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Cl+CF3COOH"	148.962264
"1371897"	267.993824	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H-2H2O"	-35.012676
"1388303"	286.0038	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H-H2O"	-17.0027
"287989"	607.020276	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+H"	1.007276
"678223"	910.026776	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+H"	1.007276
"1355666"	304.013776	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H"	1.007276
"132930"	304.013776	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+2H"	2.014552
"574678"	455.517026	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+2H"	2.014552
"1040196"	152.510526	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2H"	2.014552
"213571"	203.011609333333	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+3H"	3.021828
"646566"	304.013776	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+3H"	3.021828
"1163354"	102.009442666667	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+3H"	3.021828
"427961"	624.046823	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+NH4"	18.033823
"790417"	927.053323	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+NH4"	18.033823
"1689665"	321.040323	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+NH4"	18.033823
"332475"	312.5270495	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+H+NH4"	19.041099
"725261"	464.0302995	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+H+NH4"	19.041099
"1490397"	161.0237995	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H+NH4"	19.041099
"406158"	629.002218	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+Na"	22.989218
"761683"	932.008718	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+Na"	22.989218
"1610874"	325.995718	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Na"	22.989218
"315806"	315.004747	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+H+Na"	23.996494
"714427"	466.507997	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+H+Na"	23.996494
"1471169"	163.501497	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H+Na"	23.996494
"1062596"	109.336756666667	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2H+Na"	25.00377
"1267552"	336.039986	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+CH3OH+H"	33.033486
"387589"	644.976158	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+K"	38.963158
"746028"	947.982658	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+K"	38.963158
"1546987"	341.969658	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+K"	38.963158
"308175"	322.991717	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+H+K"	39.970434
"701325"	474.494967	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+H+K"	39.970434
"1460619"	171.488467	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H+K"	39.970434
"246298"	648.046826	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+ACN+H"	42.033826
"1216089"	345.040326	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+ACN+H"	42.033826
"1201065"	173.023801	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+ACN+2H"	43.041102
"201230"	650.98416	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+2Na-H"	44.97116
"638965"	953.99066	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+2Na-H"	44.97116
"1145755"	347.97766	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2Na-H"	44.97116
"183578"	325.995718	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+2Na"	45.978436
"621680"	477.498968	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+2Na"	45.978436
"1125185"	174.492468	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2Na"	45.978436
"1405793"	116.664070666667	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H+2Na"	46.985712
"1436815"	350.019246	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H+HCOOH"	47.012746
"227602"	331.02874	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+3H2O+2H"	56.04448
"1512383"	364.07129	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+IsoProp+H"	61.06479
"413164"	333.982688	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+Na+K"	61.952376
"771970"	485.485938	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+Na+K"	61.952376
"1670125"	182.479438	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Na+K"	61.952376
"256281"	670.028768	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+ACN+Na"	64.015768
"1225949"	367.022268	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+ACN+Na"	64.015768
"1712812"	367.045793	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+NH4+HCOOH"	64.039293
"1181407"	123.991384666667	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+3Na"	68.967654
"1652029"	372.001188	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Na+HCOOH"	68.994688
"159986"	682.93204	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+2K-H"	76.91904
"597845"	985.93854	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+2K-H"	76.91904
"1085881"	379.92554	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2K-H"	76.91904
"141974"	341.969658	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"2M+2K"	77.926316
"585546"	493.472908	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"3M+2K"	77.926316
"1083063"	190.466408	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2K"	77.926316
"1105459"	381.940092	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2K+H"	78.933592
"1341844"	382.027707	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+DMSO+H"	79.021207
"1012561"	386.066876	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2ACN+H"	83.060376
"1529591"	387.060508	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+IsoProp+Na+H"	84.054008
"994948"	193.537076	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+2ACN+2H"	84.067652
"1590546"	387.975128	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+K+HCOOH"	84.968628
"1417299"	418.006638	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+H+CF3COOH"	115.000138
"1148683"	214.050351	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+3ACN+2H"	125.094202
"1702608"	435.033185	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+NH4+CF3COOH"	132.026685
"1643726"	439.98858	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+Na+CF3COOH"	136.98208
"1575002"	455.96252	"C18921"	"Myclozolin"	"C12H11Cl2NO4"	"303.0065"	"M+K+CF3COOH"	152.95602
"816825"	354.1427	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M"	0
"989403"	335.12431	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-H2O-H"	-19.01839
"73707"	235.087857333333	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M-3H"	-3.021828
"517277"	353.135424	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M-3H"	-3.021828
"895322"	117.040290666667	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-3H"	-3.021828
"11832"	353.135424	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M-2H"	-2.014552
"455410"	530.206774	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M-2H"	-2.014552
"831630"	176.064074	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-2H"	-2.014552
"94056"	707.278124	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M-H"	-1.007276
"526567"	1061.420824	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M-H"	-1.007276
"908742"	353.135424	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-H"	-1.007276
"58740"	724.304671	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M-2H+NH4"	16.019271
"497206"	1078.447371	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M-2H+NH4"	16.019271
"877805"	370.161971	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-2H+NH4"	16.019271
"44977"	729.260066	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M-2H+Na"	20.974666
"486483"	1083.402766	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M-2H+Na"	20.974666
"863439"	375.117366	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-2H+Na"	20.974666
"1631873"	375.117366	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Na-2H"	20.974666
"106339"	371.123763	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M-H+Cl"	33.962126
"542619"	548.195113	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M-H+Cl"	33.962126
"931761"	194.052413	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-H+Cl"	33.962126
"271411"	743.254802	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+Cl"	34.969402
"662737"	1097.397502	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+Cl"	34.969402
"1275507"	389.112102	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Cl"	34.969402
"17216"	745.234006	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M-2H+K"	36.948606
"457385"	1099.376706	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M-2H+K"	36.948606
"836162"	391.091306	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-2H+K"	36.948606
"1561836"	391.091306	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+K-2H"	36.948606
"943764"	399.140894	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-H+HCOOH"	44.998194
"363923"	753.283601	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+HCOOH-H"	44.998201
"349995"	767.299251	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+Hac-H"	59.013851
"1496276"	413.156551	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Hac-H"	59.013851
"962000"	421.122851	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-H+NaCOOH"	66.980151
"117106"	389.112102	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+2Cl"	69.938804
"554479"	566.183452	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+2Cl"	69.938804
"1026560"	212.040752	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2Cl"	69.938804
"1252701"	433.061585	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Br"	78.918885
"1309680"	435.117572	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Cl+HCOOH"	80.974872
"1326083"	457.099529	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Cl+NaCOOH"	102.956829
"916045"	467.128286	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M-H+CF3COOH"	112.985586
"1294214"	503.104964	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Cl+CF3COOH"	148.962264
"1372011"	319.130024	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H-2H2O"	-35.012676
"1389506"	337.14	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H-H2O"	-17.0027
"293567"	709.292676	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+H"	1.007276
"679062"	1063.435376	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+H"	1.007276
"1355412"	355.149976	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H"	1.007276
"134134"	355.149976	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+2H"	2.014552
"574788"	532.221326	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+2H"	2.014552
"1038482"	178.078626	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2H"	2.014552
"212587"	237.102409333333	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+3H"	3.021828
"647771"	355.149976	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+3H"	3.021828
"1168086"	119.054842666667	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+3H"	3.021828
"425028"	726.319223	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+NH4"	18.033823
"788337"	1080.461923	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+NH4"	18.033823
"1686494"	372.176523	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+NH4"	18.033823
"334043"	363.6632495	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+H+NH4"	19.041099
"727195"	540.7345995	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+H+NH4"	19.041099
"1491235"	186.5918995	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H+NH4"	19.041099
"398613"	731.274618	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+Na"	22.989218
"758511"	1085.417318	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+Na"	22.989218
"1606974"	377.131918	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Na"	22.989218
"316645"	366.140947	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+H+Na"	23.996494
"714537"	543.212297	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+H+Na"	23.996494
"1471643"	189.069597	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H+Na"	23.996494
"1064892"	126.382156666667	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2H+Na"	25.00377
"1268755"	387.176186	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+CH3OH+H"	33.033486
"388426"	747.248558	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+K"	38.963158
"746138"	1101.391258	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+K"	38.963158
"1547097"	393.105858	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+K"	38.963158
"311565"	374.127917	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+H+K"	39.970434
"704350"	551.199267	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+H+K"	39.970434
"1458171"	197.056567	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H+K"	39.970434
"247866"	750.319226	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+ACN+H"	42.033826
"1215106"	396.176526	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+ACN+H"	42.033826
"1201175"	198.591901	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+ACN+2H"	43.041102
"199516"	753.25656	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+2Na-H"	44.97116
"639075"	1107.39926	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+2Na-H"	44.97116
"1142582"	399.11386	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2Na-H"	44.97116
"184781"	377.131918	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+2Na"	45.978436
"622154"	554.203268	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+2Na"	45.978436
"1122379"	200.060568	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2Na"	45.978436
"1404809"	133.709470666667	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H+2Na"	46.985712
"1433645"	401.155446	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H+HCOOH"	47.012746
"227714"	382.16494	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+3H2O+2H"	56.04448
"1512496"	415.20749	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+IsoProp+H"	61.06479
"412183"	385.118888	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+Na+K"	61.952376
"774270"	562.190238	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+Na+K"	61.952376
"1668414"	208.047538	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Na+K"	61.952376
"256031"	772.301168	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+ACN+Na"	64.015768
"1226180"	418.158468	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+ACN+Na"	64.015768
"1713241"	418.181993	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+NH4+HCOOH"	64.039293
"1182247"	141.036784666667	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+3Na"	68.967654
"1652139"	423.137388	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Na+HCOOH"	68.994688
"158149"	785.20444	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+2K-H"	76.91904
"598195"	1139.34714	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+2K-H"	76.91904
"1085382"	431.06174	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2K-H"	76.91904
"142084"	393.105858	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"2M+2K"	77.926316
"583469"	570.177208	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"3M+2K"	77.926316
"1069437"	216.034508	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2K"	77.926316
"1102289"	433.076292	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2K+H"	78.933592
"1338673"	433.163907	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+DMSO+H"	79.021207
"1009390"	437.203076	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2ACN+H"	83.060376
"1526785"	438.196708	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+IsoProp+Na+H"	84.054008
"997244"	219.105176	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+2ACN+2H"	84.067652
"1592842"	439.111328	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+K+HCOOH"	84.968628
"1415949"	469.142838	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+H+CF3COOH"	115.000138
"1152073"	239.618451	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+3ACN+2H"	125.094202
"1705999"	486.169385	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+NH4+CF3COOH"	132.026685
"1643836"	491.12478	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+Na+CF3COOH"	136.98208
"1578392"	507.09872	"C18922"	"Dinocton 6"	"C16H22N2O7"	"354.1427"	"M+K+CF3COOH"	152.95602
"814229"	220.0704	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M"	0
"985574"	201.05201	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-H2O-H"	-19.01839
"76370"	145.706324	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M-3H"	-3.021828
"515929"	219.063124	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M-3H"	-3.021828
"895026"	72.349524	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-3H"	-3.021828
"7567"	219.063124	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M-2H"	-2.014552
"455595"	329.098324	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M-2H"	-2.014552
"831980"	109.027924	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-2H"	-2.014552
"93195"	439.133524	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M-H"	-1.007276
"526677"	659.203924	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M-H"	-1.007276
"907760"	219.063124	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-H"	-1.007276
"58851"	456.160071	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M-2H+NH4"	16.019271
"494037"	676.230471	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M-2H+NH4"	16.019271
"875120"	236.089671	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-2H+NH4"	16.019271
"46628"	461.115466	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M-2H+Na"	20.974666
"486838"	681.185866	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M-2H+Na"	20.974666
"863877"	241.045066	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-2H+Na"	20.974666
"1627731"	241.045066	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Na-2H"	20.974666
"107542"	237.051463	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M-H+Cl"	33.962126
"541637"	347.086663	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M-H+Cl"	33.962126
"931870"	127.016263	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-H+Cl"	33.962126
"271520"	475.110202	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+Cl"	34.969402
"665033"	695.180602	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+Cl"	34.969402
"1276708"	255.039802	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Cl"	34.969402
"20360"	477.089406	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M-2H+K"	36.948606
"457855"	697.159806	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M-2H+K"	36.948606
"839917"	257.019006	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-2H+K"	36.948606
"1561946"	257.019006	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+K-2H"	36.948606
"948735"	265.068594	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-H+HCOOH"	44.998194
"368042"	485.139001	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+HCOOH-H"	44.998201
"347914"	499.154651	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+Hac-H"	59.013851
"1501853"	279.084251	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Hac-H"	59.013851
"962110"	287.050551	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-H+NaCOOH"	66.980151
"123777"	255.039802	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+2Cl"	69.938804
"561150"	365.075002	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+2Cl"	69.938804
"1023385"	145.004602	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2Cl"	69.938804
"1252812"	298.989285	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Br"	78.918885
"1313072"	301.045272	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Cl+HCOOH"	80.974872
"1323278"	323.027229	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Cl+NaCOOH"	102.956829
"916157"	333.055986	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M-H+CF3COOH"	112.985586
"1292137"	369.032664	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Cl+CF3COOH"	148.962264
"1373215"	185.057724	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H-2H2O"	-35.012676
"1389618"	203.0677	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H-H2O"	-17.0027
"288210"	441.148076	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+H"	1.007276
"685006"	661.218476	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+H"	1.007276
"1355522"	221.077676	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H"	1.007276
"129871"	221.077676	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+2H"	2.014552
"573804"	331.112876	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+2H"	2.014552
"1039684"	111.042476	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2H"	2.014552
"206864"	147.720876	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+3H"	3.021828
"646424"	221.077676	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+3H"	3.021828
"1168196"	74.364076	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+3H"	3.021828
"425264"	458.174623	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+NH4"	18.033823
"787720"	678.245023	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+NH4"	18.033823
"1685147"	238.104223	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+NH4"	18.033823
"333062"	229.5909495	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+H+NH4"	19.041099
"728399"	339.6261495	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+H+NH4"	19.041099
"1478207"	119.5557495	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H+NH4"	19.041099
"395075"	463.130018	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+Na"	22.989218
"755342"	683.200418	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+Na"	22.989218
"1604531"	243.059618	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Na"	22.989218
"316755"	232.068647	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+H+Na"	23.996494
"712459"	342.103847	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+H+Na"	23.996494
"1473940"	122.033447	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H+Na"	23.996494
"1065002"	81.69139	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2H+Na"	25.00377
"1271052"	253.103886	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+CH3OH+H"	33.033486
"388536"	479.103958	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+K"	38.963158
"747342"	699.174358	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+K"	38.963158
"1548301"	259.033558	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+K"	38.963158
"313011"	240.055617	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+H+K"	39.970434
"704460"	350.090817	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+H+K"	39.970434
"1455001"	130.020417	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H+K"	39.970434
"247976"	482.174626	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+ACN+H"	42.033826
"1217402"	262.104226	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+ACN+H"	42.033826
"1200191"	131.555751	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+ACN+2H"	43.041102
"198532"	485.11196	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+2Na-H"	44.97116
"634809"	705.18236	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+2Na-H"	44.97116
"1141598"	265.04156	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2Na-H"	44.97116
"185984"	243.059618	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+2Na"	45.978436
"620077"	353.094818	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+2Na"	45.978436
"1123582"	133.024418	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2Na"	45.978436
"1406014"	89.018704	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H+2Na"	46.985712
"1435942"	267.083146	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H+HCOOH"	47.012746
"226730"	248.09264	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+3H2O+2H"	56.04448
"1513701"	281.13519	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+IsoProp+H"	61.06479
"413387"	251.046588	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+Na+K"	61.952376
"774745"	361.081788	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+Na+K"	61.952376
"1671075"	141.011388	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Na+K"	61.952376
"257235"	504.156568	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+ACN+Na"	64.015768
"1227754"	284.086168	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+ACN+Na"	64.015768
"1716274"	284.109693	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+NH4+HCOOH"	64.039293
"1180899"	96.346018	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+3Na"	68.967654
"1650547"	289.065088	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Na+HCOOH"	68.994688
"160934"	517.05984	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+2K-H"	76.91904
"600859"	737.13024	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+2K-H"	76.91904
"1085978"	296.98944	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2K-H"	76.91904
"142315"	259.033558	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"2M+2K"	77.926316
"581993"	369.068758	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"3M+2K"	77.926316
"1069667"	148.998358	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2K"	77.926316
"1102397"	299.003992	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2K+H"	78.933592
"1340970"	299.091607	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+DMSO+H"	79.021207
"1009500"	303.130776	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2ACN+H"	83.060376
"1527624"	304.124408	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+IsoProp+Na+H"	84.054008
"996260"	152.069026	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+2ACN+2H"	84.067652
"1592952"	305.039028	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+K+HCOOH"	84.968628
"1419706"	335.070538	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+H+CF3COOH"	115.000138
"1155463"	172.582301	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+3ACN+2H"	125.094202
"1706109"	352.097085	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+NH4+CF3COOH"	132.026685
"1643946"	357.05248	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+Na+CF3COOH"	136.98208
"1578502"	373.02642	"C18923"	"Carbamorph"	"C8H16N2OS2"	"220.0704"	"M+K+CF3COOH"	152.95602
"816162"	241.0851	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M"	0
"988601"	222.06671	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-H2O-H"	-19.01839
"77208"	159.716124	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M-3H"	-3.021828
"515675"	240.077824	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M-3H"	-3.021828
"893840"	79.354424	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-3H"	-3.021828
"10957"	240.077824	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M-2H"	-2.014552
"455495"	360.620374	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M-2H"	-2.014552
"831239"	119.535274	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-2H"	-2.014552
"92324"	481.162924	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M-H"	-1.007276
"527882"	722.248024	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M-H"	-1.007276
"908962"	240.077824	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-H"	-1.007276
"58961"	498.189471	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M-2H+NH4"	16.019271
"497428"	739.274571	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M-2H+NH4"	16.019271
"874137"	257.104371	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-2H+NH4"	16.019271
"44227"	503.144866	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M-2H+Na"	20.974666
"484880"	744.229966	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M-2H+Na"	20.974666
"863861"	262.059766	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-2H+Na"	20.974666
"1628935"	262.059766	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Na-2H"	20.974666
"105467"	258.066163	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M-H+Cl"	33.962126
"540654"	378.608713	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M-H+Cl"	33.962126
"929793"	137.523613	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-H+Cl"	33.962126
"270537"	517.139602	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+Cl"	34.969402
"662228"	758.224702	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+Cl"	34.969402
"1276458"	276.054502	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Cl"	34.969402
"19014"	519.118806	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M-2H+K"	36.948606
"457601"	760.203906	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M-2H+K"	36.948606
"838205"	278.033706	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-2H+K"	36.948606
"1565337"	278.033706	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+K-2H"	36.948606
"947023"	286.083294	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-H+HCOOH"	44.998194
"366331"	527.168401	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+HCOOH-H"	44.998201
"346932"	541.184051	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+Hac-H"	59.013851
"1500870"	300.098951	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Hac-H"	59.013851
"962948"	308.065251	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-H+NaCOOH"	66.980151
"116232"	276.054502	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+2Cl"	69.938804
"557980"	396.597052	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+2Cl"	69.938804
"1022645"	155.511952	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2Cl"	69.938804
"1247452"	320.003985	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Br"	78.918885
"1309899"	322.059972	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Cl+HCOOH"	80.974872
"1323752"	344.041929	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Cl+NaCOOH"	102.956829
"916267"	354.070686	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M-H+CF3COOH"	112.985586
"1289696"	390.047364	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Cl+CF3COOH"	148.962264
"1373326"	206.072424	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H-2H2O"	-35.012676
"1388636"	224.0824	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H-H2O"	-17.0027
"287228"	483.177476	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+H"	1.007276
"682930"	724.262576	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+H"	1.007276
"1355268"	242.092376	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H"	1.007276
"137633"	242.092376	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+2H"	2.014552
"573914"	362.634926	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+2H"	2.014552
"1040525"	121.549826	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2H"	2.014552
"206974"	161.730676	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+3H"	3.021828
"646899"	242.092376	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+3H"	3.021828
"1168306"	81.368976	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+3H"	3.021828
"424520"	500.204023	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+NH4"	18.033823
"786738"	741.289123	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+NH4"	18.033823
"1685623"	259.118923	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+NH4"	18.033823
"337182"	250.6056495	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+H+NH4"	19.041099
"730696"	371.1481995	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+H+NH4"	19.041099
"1478076"	130.0630995	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H+NH4"	19.041099
"395549"	505.159418	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+Na"	22.989218
"757637"	746.244518	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+Na"	22.989218
"1603422"	264.074318	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Na"	22.989218
"316864"	253.083347	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+H+Na"	23.996494
"709287"	373.625897	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+H+Na"	23.996494
"1471863"	132.540797	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H+Na"	23.996494
"1064019"	88.69629	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2H+Na"	25.00377
"1270067"	274.118586	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+CH3OH+H"	33.033486
"388646"	521.133358	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+K"	38.963158
"747451"	762.218458	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+K"	38.963158
"1551690"	280.048258	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+K"	38.963158
"311055"	261.070317	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+H+K"	39.970434
"701289"	381.612867	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+H+K"	39.970434
"1456204"	140.527767	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H+K"	39.970434
"244805"	524.204026	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+ACN+H"	42.033826
"1217512"	283.118926	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+ACN+H"	42.033826
"1198479"	142.063101	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+ACN+2H"	43.041102
"194265"	527.14136	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+2Na-H"	44.97116
"633097"	768.22646	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+2Na-H"	44.97116
"1136240"	286.05626	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2Na-H"	44.97116
"180623"	264.074318	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+2Na"	45.978436
"620184"	384.616868	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+2Na"	45.978436
"1125876"	143.531768	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2Na"	45.978436
"1407214"	96.023604	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H+2Na"	46.985712
"1436052"	288.097846	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H+HCOOH"	47.012746
"224653"	269.10734	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+3H2O+2H"	56.04448
"1511625"	302.14989	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+IsoProp+H"	61.06479
"413497"	272.061288	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+Na+K"	61.952376
"774494"	392.603838	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+Na+K"	61.952376
"1668999"	151.518738	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Na+K"	61.952376
"256252"	546.185968	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+ACN+Na"	64.015768
"1230055"	305.100868	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+ACN+Na"	64.015768
"1714930"	305.124393	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+NH4+HCOOH"	64.039293
"1181374"	103.350918	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+3Na"	68.967654
"1652116"	310.079788	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Na+HCOOH"	68.994688
"161044"	559.08924	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+2K-H"	76.91904
"599997"	800.17434	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+2K-H"	76.91904
"1084631"	318.00414	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2K-H"	76.91904
"145221"	280.048258	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"2M+2K"	77.926316
"582224"	400.590808	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"3M+2K"	77.926316
"1069653"	159.505708	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2K"	77.926316
"1101778"	320.018692	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2K+H"	78.933592
"1339986"	320.106307	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+DMSO+H"	79.021207
"1009609"	324.145476	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2ACN+H"	83.060376
"1526030"	325.139108	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+IsoProp+Na+H"	84.054008
"993090"	162.576376	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+2ACN+2H"	84.067652
"1589049"	326.053728	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+K+HCOOH"	84.968628
"1422003"	356.085238	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+H+CF3COOH"	115.000138
"1155573"	183.089651	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+3ACN+2H"	125.094202
"1706218"	373.111785	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+NH4+CF3COOH"	132.026685
"1644056"	378.06718	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+Na+CF3COOH"	136.98208
"1578612"	394.04112	"C18924"	"Benquinox"	"C13H11N3O2"	"241.0851"	"M+K+CF3COOH"	152.95602
"816273"	299.0381	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M"	0
"988711"	280.01971	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-H2O-H"	-19.01839
"75131"	198.351457333333	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M-3H"	-3.021828
"515782"	298.030824	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M-3H"	-3.021828
"893219"	98.6720906666666	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-3H"	-3.021828
"7787"	298.030824	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M-2H"	-2.014552
"455590"	447.549874	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M-2H"	-2.014552
"831966"	148.511774	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-2H"	-2.014552
"92557"	597.068924	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M-H"	-1.007276
"526898"	896.107024	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M-H"	-1.007276
"911142"	298.030824	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-H"	-1.007276
"59070"	614.095471	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M-2H+NH4"	16.019271
"497538"	913.133571	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M-2H+NH4"	16.019271
"870967"	315.057371	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-2H+NH4"	16.019271
"41058"	619.050866	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M-2H+Na"	20.974666
"482806"	918.088966	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M-2H+Na"	20.974666
"862429"	320.012766	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-2H+Na"	20.974666
"1627952"	320.012766	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Na-2H"	20.974666
"108375"	316.019163	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M-H+Cl"	33.962126
"541860"	465.538213	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M-H+Cl"	33.962126
"928811"	166.500113	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-H+Cl"	33.962126
"269554"	633.045602	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+Cl"	34.969402
"660235"	932.083702	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+Cl"	34.969402
"1274016"	334.007502	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Cl"	34.969402
"20218"	635.024806	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M-2H+K"	36.948606
"456252"	934.062906	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M-2H+K"	36.948606
"838681"	335.986706	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-2H+K"	36.948606
"1566541"	335.986706	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+K-2H"	36.948606
"950049"	344.036294	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-H+HCOOH"	44.998194
"366441"	643.074401	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+HCOOH-H"	44.998201
"347771"	657.090051	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+Hac-H"	59.013851
"1500980"	358.051951	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Hac-H"	59.013851
"962330"	366.018251	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-H+NaCOOH"	66.980151
"123997"	334.007502	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+2Cl"	69.938804
"558090"	483.526552	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+2Cl"	69.938804
"1022149"	184.488452	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2Cl"	69.938804
"1248655"	377.956985	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Br"	78.918885
"1311468"	380.012972	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Cl+HCOOH"	80.974872
"1325685"	401.994929	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Cl+NaCOOH"	102.956829
"912733"	412.023686	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M-H+CF3COOH"	112.985586
"1294181"	448.000364	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Cl+CF3COOH"	148.962264
"1369791"	264.025424	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H-2H2O"	-35.012676
"1387652"	282.0354	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H-H2O"	-17.0027
"290620"	599.083476	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+H"	1.007276
"679761"	898.121576	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+H"	1.007276
"1357201"	300.045376	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H"	1.007276
"135557"	300.045376	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+2H"	2.014552
"575117"	449.564426	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+2H"	2.014552
"1039908"	150.526326	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2H"	2.014552
"209636"	200.366009333333	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+3H"	3.021828
"647374"	300.045376	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+3H"	3.021828
"1164770"	100.686642666667	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+3H"	3.021828
"426216"	616.110023	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+NH4"	18.033823
"790494"	915.148123	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+NH4"	18.033823
"1685733"	317.071923	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+NH4"	18.033823
"337292"	308.5586495	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+H+NH4"	19.041099
"735181"	458.0776995	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+H+NH4"	19.041099
"1479522"	159.0395995	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H+NH4"	19.041099
"394566"	621.065418	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+Na"	22.989218
"756654"	920.103518	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+Na"	22.989218
"1603087"	322.027318	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Na"	22.989218
"315880"	311.036347	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+H+Na"	23.996494
"708304"	460.555397	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+H+Na"	23.996494
"1468693"	161.517297	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H+Na"	23.996494
"1066315"	108.013956666667	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2H+Na"	25.00377
"1266897"	332.071586	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+CH3OH+H"	33.033486
"387663"	637.039358	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+K"	38.963158
"747561"	936.077458	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+K"	38.963158
"1549613"	338.001258	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+K"	38.963158
"307885"	319.023317	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+H+K"	39.970434
"701399"	468.542367	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+H+K"	39.970434
"1450846"	169.504267	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H+K"	39.970434
"244915"	640.110026	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+ACN+H"	42.033826
"1217622"	341.071926	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+ACN+H"	42.033826
"1198589"	171.039601	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+ACN+2H"	43.041102
"195467"	643.04736	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+2Na-H"	44.97116
"635029"	942.08546	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+2Na-H"	44.97116
"1138537"	344.00926	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2Na-H"	44.97116
"178545"	322.027318	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+2Na"	45.978436
"619200"	471.546368	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+2Na"	45.978436
"1127079"	172.508268	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2Na"	45.978436
"1407690"	115.341270666667	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H+2Na"	46.985712
"1438347"	346.050846	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H+HCOOH"	47.012746
"224763"	327.06034	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+3H2O+2H"	56.04448
"1512827"	360.10289	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+IsoProp+H"	61.06479
"414700"	330.014288	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+Na+K"	61.952376
"775697"	479.533338	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+Na+K"	61.952376
"1673117"	180.495238	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Na+K"	61.952376
"257455"	662.091968	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+ACN+Na"	64.015768
"1227246"	363.053868	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+ACN+Na"	64.015768
"1715767"	363.077393	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+NH4+HCOOH"	64.039293
"1182577"	122.668584666667	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+3Na"	68.967654
"1651376"	368.032788	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Na+HCOOH"	68.994688
"159330"	674.99524	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+2K-H"	76.91904
"598284"	974.03334	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+2K-H"	76.91904
"1084741"	375.95714	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2K-H"	76.91904
"141926"	338.001258	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"2M+2K"	77.926316
"581728"	487.520308	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"3M+2K"	77.926316
"1069767"	188.482208	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2K"	77.926316
"1103345"	377.971692	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2K+H"	78.933592
"1340096"	378.059307	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+DMSO+H"	79.021207
"1007165"	382.098476	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2ACN+H"	83.060376
"1525409"	383.092108	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+IsoProp+Na+H"	84.054008
"990884"	191.552876	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+2ACN+2H"	84.067652
"1589158"	384.006728	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+K+HCOOH"	84.968628
"1422113"	414.038238	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+H+CF3COOH"	115.000138
"1155683"	212.066151	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+3ACN+2H"	125.094202
"1706328"	431.064785	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+NH4+CF3COOH"	132.026685
"1644166"	436.02018	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+Na+CF3COOH"	136.98208
"1578722"	451.99412	"C18925"	"Ditalimfos"	"C12H14NO4PS"	"299.0381"	"M+K+CF3COOH"	152.95602
"816347"	413.9149	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M"	0
"987728"	394.89651	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-H2O-H"	-19.01839
"76942"	274.935990666667	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M-3H"	-3.021828
"515892"	412.907624	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M-3H"	-3.021828
"893329"	136.964357333333	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-3H"	-3.021828
"11177"	412.907624	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M-2H"	-2.014552
"454156"	619.865074	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M-2H"	-2.014552
"832442"	205.950174	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-2H"	-2.014552
"92551"	826.822524	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M-H"	-1.007276
"532843"	1240.737424	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M-H"	-1.007276
"911091"	412.907624	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-H"	-1.007276
"58089"	843.849071	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M-2H+NH4"	16.019271
"497652"	1257.763971	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M-2H+NH4"	16.019271
"877398"	429.934171	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-2H+NH4"	16.019271
"43356"	848.804466	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M-2H+Na"	20.974666
"485713"	1262.719366	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M-2H+Na"	20.974666
"859625"	434.889566	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-2H+Na"	20.974666
"1633780"	434.889566	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Na-2H"	20.974666
"109462"	430.895963	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M-H+Cl"	33.962126
"545250"	637.853413	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M-H+Cl"	33.962126
"932202"	223.938513	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-H+Cl"	33.962126
"271851"	862.799202	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+Cl"	34.969402
"662209"	1276.714102	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+Cl"	34.969402
"1274492"	448.884302	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Cl"	34.969402
"17290"	864.778406	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M-2H+K"	36.948606
"456727"	1278.693306	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M-2H+K"	36.948606
"842071"	450.863506	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-2H+K"	36.948606
"1566651"	450.863506	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+K-2H"	36.948606
"954169"	458.913094	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-H+HCOOH"	44.998194
"371655"	872.828001	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+HCOOH-H"	44.998201
"352257"	886.843651	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+Hac-H"	59.013851
"1501090"	472.928751	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Hac-H"	59.013851
"966451"	480.895051	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-H+NaCOOH"	66.980151
"124107"	448.884302	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+2Cl"	69.938804
"554920"	655.841752	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+2Cl"	69.938804
"1021894"	241.926852	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2Cl"	69.938804
"1247672"	492.833785	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Br"	78.918885
"1311578"	494.889772	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Cl+HCOOH"	80.974872
"1327618"	516.871729	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Cl+NaCOOH"	102.956829
"915030"	526.900486	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M-H+CF3COOH"	112.985586
"1301217"	562.877164	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Cl+CF3COOH"	148.962264
"1371361"	378.902224	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H-2H2O"	-35.012676
"1393231"	396.9122	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H-H2O"	-17.0027
"287453"	828.837076	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+H"	1.007276
"685340"	1242.751976	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+H"	1.007276
"1352576"	414.922176	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H"	1.007276
"133484"	414.922176	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+2H"	2.014552
"569764"	621.879626	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+2H"	2.014552
"1042938"	207.964726	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2H"	2.014552
"211933"	276.950542666667	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+3H"	3.021828
"647121"	414.922176	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+3H"	3.021828
"1171809"	138.978909333333	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+3H"	3.021828
"430704"	845.863623	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+NH4"	18.033823
"796074"	1259.778523	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+NH4"	18.033823
"1692406"	431.948723	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+NH4"	18.033823
"338500"	423.4354495	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+H+NH4"	19.041099
"736384"	630.3928995	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+H+NH4"	19.041099
"1481457"	216.4779995	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H+NH4"	19.041099
"394674"	850.819018	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+Na"	22.989218
"754571"	1264.733918	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+Na"	22.989218
"1603887"	436.904118	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Na"	22.989218
"315018"	425.913147	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+H+Na"	23.996494
"707563"	632.870597	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+H+Na"	23.996494
"1466616"	218.955697	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H+Na"	23.996494
"1062050"	146.306223333333	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2H+Na"	25.00377
"1267007"	446.948386	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+CH3OH+H"	33.033486
"387773"	866.792958	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+K"	38.963158
"747671"	1280.707858	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+K"	38.963158
"1549723"	452.878058	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+K"	38.963158
"309088"	433.900117	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+H+K"	39.970434
"704789"	640.857567	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+H+K"	39.970434
"1449863"	226.942667	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H+K"	39.970434
"243932"	869.863626	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+ACN+H"	42.033826
"1219920"	455.948726	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+ACN+H"	42.033826
"1203803"	228.478001	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+ACN+2H"	43.041102
"196672"	872.80096	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+2Na-H"	44.97116
"642432"	1286.71586	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+2Na-H"	44.97116
"1141928"	458.88606	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2Na-H"	44.97116
"184854"	436.904118	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+2Na"	45.978436
"622591"	643.861568	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+2Na"	45.978436
"1127194"	229.946668	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2Na"	45.978436
"1408164"	153.633537333333	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H+2Na"	46.985712
"1438824"	460.927646	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H+HCOOH"	47.012746
"227060"	441.93714	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+3H2O+2H"	56.04448
"1516219"	474.97969	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+IsoProp+H"	61.06479
"416268"	444.891088	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+Na+K"	61.952376
"775807"	651.848538	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+Na+K"	61.952376
"1671404"	237.933638	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Na+K"	61.952376
"261577"	891.845568	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+ACN+Na"	64.015768
"1229545"	477.930668	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+ACN+Na"	64.015768
"1715878"	477.954193	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+NH4+HCOOH"	64.039293
"1184148"	160.960851333333	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+3Na"	68.967654
"1654405"	482.909588	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Na+HCOOH"	68.994688
"160172"	904.74884	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+2K-H"	76.91904
"597949"	1318.66374	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+2K-H"	76.91904
"1087526"	490.83394	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2K-H"	76.91904
"142155"	452.878058	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"2M+2K"	77.926316
"583904"	659.835508	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"3M+2K"	77.926316
"1069390"	245.920608	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2K"	77.926316
"1101998"	492.848492	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2K+H"	78.933592
"1339112"	492.936107	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+DMSO+H"	79.021207
"1006666"	496.975276	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2ACN+H"	83.060376
"1524382"	497.968908	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+IsoProp+Na+H"	84.054008
"991116"	248.991276	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+2ACN+2H"	84.067652
"1588051"	498.883528	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+K+HCOOH"	84.968628
"1420036"	528.915038	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+H+CF3COOH"	115.000138
"1159074"	269.504551	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+3ACN+2H"	125.094202
"1712273"	545.941585	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+NH4+CF3COOH"	132.026685
"1642089"	550.89698	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+Na+CF3COOH"	136.98208
"1575552"	566.87092	"C18926"	"Phosdiphen"	"C14H11Cl4O4P"	"413.9149"	"M+K+CF3COOH"	152.95602
"803001"	294.1358	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M"	0
"979450"	275.11741	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-H2O-H"	-19.01839
"66598"	195.083257333333	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M-3H"	-3.021828
"506158"	293.128524	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M-3H"	-3.021828
"882135"	97.0379906666667	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-3H"	-3.021828
"5086"	293.128524	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M-2H"	-2.014552
"455220"	440.196424	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M-2H"	-2.014552
"826461"	146.060624	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-2H"	-2.014552
"85359"	587.264324	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M-H"	-1.007276
"531126"	881.400124	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M-H"	-1.007276
"910265"	293.128524	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-H"	-1.007276
"53828"	604.290871	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M-2H+NH4"	16.019271
"497762"	898.426671	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M-2H+NH4"	16.019271
"875563"	310.155071	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-2H+NH4"	16.019271
"42370"	609.246266	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M-2H+Na"	20.974666
"486145"	903.382066	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M-2H+Na"	20.974666
"860825"	315.110466	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-2H+Na"	20.974666
"1628169"	315.110466	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Na-2H"	20.974666
"100326"	311.116863	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M-H+Cl"	33.962126
"539883"	458.184763	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M-H+Cl"	33.962126
"932305"	164.048963	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-H+Cl"	33.962126
"273055"	623.241002	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+Cl"	34.969402
"669850"	917.376802	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+Cl"	34.969402
"1283353"	329.105202	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Cl"	34.969402
"28095"	625.220206	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M-2H+K"	36.948606
"456108"	919.356006	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M-2H+K"	36.948606
"834520"	331.084406	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-2H+K"	36.948606
"1565665"	331.084406	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+K-2H"	36.948606
"948080"	339.133994	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-H+HCOOH"	44.998194
"370670"	633.269801	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+HCOOH-H"	44.998201
"357836"	647.285451	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+Hac-H"	59.013851
"1501199"	353.149651	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Hac-H"	59.013851
"968745"	361.115951	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-H+NaCOOH"	66.980151
"124213"	329.105202	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+2Cl"	69.938804
"556118"	476.173102	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+2Cl"	69.938804
"1033664"	182.037302	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2Cl"	69.938804
"1247775"	373.054685	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Br"	78.918885
"1308037"	375.110672	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Cl+HCOOH"	80.974872
"1323346"	397.092629	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Cl+NaCOOH"	102.956829
"918783"	407.121386	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M-H+CF3COOH"	112.985586
"1295493"	443.098064	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Cl+CF3COOH"	148.962264
"1375840"	259.123124	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H-2H2O"	-35.012676
"1395892"	277.1331	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H-H2O"	-17.0027
"295576"	589.278876	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+H"	1.007276
"687272"	883.414676	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+H"	1.007276
"1362529"	295.143076	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H"	1.007276
"136514"	295.143076	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+2H"	2.014552
"572061"	442.210976	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+2H"	2.014552
"1045235"	148.075176	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2H"	2.014552
"212044"	197.097809333333	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+3H"	3.021828
"653792"	295.143076	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+3H"	3.021828
"1167546"	99.0525426666667	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+3H"	3.021828
"434095"	606.305423	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+NH4"	18.033823
"797279"	900.441223	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+NH4"	18.033823
"1690331"	312.169623	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+NH4"	18.033823
"336423"	303.6563495	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+H+NH4"	19.041099
"736132"	450.7242495	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+H+NH4"	19.041099
"1485940"	156.5884495	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H+NH4"	19.041099
"394784"	611.260818	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+Na"	22.989218
"756506"	905.396618	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+Na"	22.989218
"1604969"	317.125018	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Na"	22.989218
"317192"	306.134047	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+H+Na"	23.996494
"709617"	453.201947	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+H+Na"	23.996494
"1464539"	159.066147	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H+Na"	23.996494
"1059972"	106.379856666667	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2H+Na"	25.00377
"1264930"	327.169286	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+CH3OH+H"	33.033486
"387882"	627.234758	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+K"	38.963158
"746688"	921.370558	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+K"	38.963158
"1547646"	333.098958	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+K"	38.963158
"307011"	314.121017	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+H+K"	39.970434
"697245"	461.188917	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+H+K"	39.970434
"1451066"	167.053117	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H+K"	39.970434
"246228"	630.305426	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+ACN+H"	42.033826
"1218936"	336.169626	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+ACN+H"	42.033826
"1204643"	168.588451	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+ACN+2H"	43.041102
"199699"	633.24276	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+2Na-H"	44.97116
"641446"	927.37856	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+2Na-H"	44.97116
"1142037"	339.10696	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2Na-H"	44.97116
"185694"	317.125018	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+2Na"	45.978436
"622701"	464.192918	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+2Na"	45.978436
"1127304"	170.057118	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2Na"	45.978436
"1408638"	113.707170666667	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H+2Na"	46.985712
"1441121"	341.148546	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H+HCOOH"	47.012746
"230088"	322.15804	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+3H2O+2H"	56.04448
"1518517"	355.20059	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+IsoProp+H"	61.06479
"420754"	325.111988	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+Na+K"	61.952376
"779196"	472.179888	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+Na+K"	61.952376
"1675524"	178.044088	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Na+K"	61.952376
"264603"	652.287368	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+ACN+Na"	64.015768
"1234031"	358.151568	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+ACN+Na"	64.015768
"1721822"	358.175093	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+NH4+HCOOH"	64.039293
"1185715"	121.034484666667	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+3Na"	68.967654
"1658888"	363.130488	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Na+HCOOH"	68.994688
"160282"	665.19064	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+2K-H"	76.91904
"598749"	959.32644	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+2K-H"	76.91904
"1092011"	371.05484	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2K-H"	76.91904
"147734"	333.098958	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"2M+2K"	77.926316
"584014"	480.166858	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"3M+2K"	77.926316
"1069983"	186.031058	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2K"	77.926316
"1100597"	373.069392	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2K+H"	78.933592
"1335891"	373.157007	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+DMSO+H"	79.021207
"1006167"	377.196176	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2ACN+H"	83.060376
"1524235"	378.189808	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+IsoProp+Na+H"	84.054008
"990250"	189.101726	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+2ACN+2H"	84.067652
"1587227"	379.104428	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+K+HCOOH"	84.968628
"1420146"	409.135938	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+H+CF3COOH"	115.000138
"1156997"	209.615001	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+3ACN+2H"	125.094202
"1712383"	426.162485	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+NH4+CF3COOH"	132.026685
"1642199"	431.11788	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+Na+CF3COOH"	136.98208
"1575662"	447.09182	"C18927"	"Triamiphos"	"C12H19N6OP"	"294.1358"	"M+K+CF3COOH"	152.95602
"801441"	272.9959	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M"	0
"976280"	253.97751	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-H2O-H"	-19.01839
"66707"	180.989990666667	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M-3H"	-3.021828
"504203"	271.988624	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M-3H"	-3.021828
"881883"	89.9913573333333	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-3H"	-3.021828
"4832"	271.988624	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M-2H"	-2.014552
"450957"	408.486574	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M-2H"	-2.014552
"826571"	135.490674	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-2H"	-2.014552
"85469"	544.984524	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M-H"	-1.007276
"531600"	817.980424	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M-H"	-1.007276
"909400"	271.988624	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-H"	-1.007276
"53939"	562.011071	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M-2H+NH4"	16.019271
"497873"	835.006971	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M-2H+NH4"	16.019271
"875673"	289.015171	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-2H+NH4"	16.019271
"44667"	566.966466	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M-2H+Na"	20.974666
"483132"	839.962366	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M-2H+Na"	20.974666
"857652"	293.970566	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-2H+Na"	20.974666
"1627184"	293.970566	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Na-2H"	20.974666
"100436"	289.976963	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M-H+Cl"	33.962126
"536713"	426.474913	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M-H+Cl"	33.962126
"930227"	153.479013	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-H+Cl"	33.962126
"282524"	580.961202	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+Cl"	34.969402
"669960"	853.957102	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+Cl"	34.969402
"1285649"	307.965302	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Cl"	34.969402
"29299"	582.940406	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M-2H+K"	36.948606
"457922"	855.936306	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M-2H+K"	36.948606
"834994"	309.944506	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-2H+K"	36.948606
"1565775"	309.944506	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+K-2H"	36.948606
"952566"	317.994094	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-H+HCOOH"	44.998194
"368593"	590.990001	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+HCOOH-H"	44.998201
"356854"	605.005651	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+Hac-H"	59.013851
"1498030"	332.009751	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Hac-H"	59.013851
"965575"	339.976051	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-H+NaCOOH"	66.980151
"124323"	307.965302	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+2Cl"	69.938804
"558415"	444.463252	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+2Cl"	69.938804
"1033774"	171.467352	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2Cl"	69.938804
"1247885"	351.914785	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Br"	78.918885
"1310335"	353.970772	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Cl+HCOOH"	80.974872
"1324553"	375.952729	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Cl+NaCOOH"	102.956829
"918896"	385.981486	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M-H+CF3COOH"	112.985586
"1294510"	421.958164	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Cl+CF3COOH"	148.962264
"1373763"	237.983224	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H-2H2O"	-35.012676
"1391259"	255.9932	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H-H2O"	-17.0027
"290945"	546.999076	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+H"	1.007276
"689934"	819.994976	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+H"	1.007276
"1363731"	274.003176	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H"	1.007276
"134437"	274.003176	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+2H"	2.014552
"578007"	410.501126	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+2H"	2.014552
"1044985"	137.505226	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2H"	2.014552
"213250"	183.004542666667	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+3H"	3.021828
"648439"	274.003176	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+3H"	3.021828
"1165473"	92.0059093333333	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+3H"	3.021828
"436760"	564.025623	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+NH4"	18.033823
"794111"	837.021523	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+NH4"	18.033823
"1686068"	291.029723	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+NH4"	18.033823
"335440"	282.5164495	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+H+NH4"	19.041099
"735152"	419.0143995	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+H+NH4"	19.041099
"1488238"	146.0184995	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H+NH4"	19.041099
"394529"	568.981018	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+Na"	22.989218
"757345"	841.976918	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+Na"	22.989218
"1607265"	295.985118	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Na"	22.989218
"319487"	284.994147	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+H+Na"	23.996494
"708390"	421.492097	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+H+Na"	23.996494
"1463302"	148.496197	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H+Na"	23.996494
"1056060"	99.3332233333333	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2H+Na"	25.00377
"1265040"	306.029386	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+CH3OH+H"	33.033486
"387992"	584.954958	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+K"	38.963158
"746798"	857.950858	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+K"	38.963158
"1549945"	311.959058	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+K"	38.963158
"306028"	292.981117	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+H+K"	39.970434
"701730"	429.479067	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+H+K"	39.970434
"1452269"	156.483167	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H+K"	39.970434
"248527"	588.025626	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+ACN+H"	42.033826
"1221236"	315.029726	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+ACN+H"	42.033826
"1208034"	158.018501	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+ACN+2H"	43.041102
"199444"	590.96296	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+2Na-H"	44.97116
"641921"	863.95886	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+2Na-H"	44.97116
"1141053"	317.96706	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2Na-H"	44.97116
"183981"	295.985118	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+2Na"	45.978436
"621718"	432.483068	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+2Na"	45.978436
"1124131"	159.487168	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2Na"	45.978436
"1408748"	106.660537333333	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H+2Na"	46.985712
"1440136"	320.008646	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H+HCOOH"	47.012746
"233114"	301.01814	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+3H2O+2H"	56.04448
"1516438"	334.06069	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+IsoProp+H"	61.06479
"417946"	303.972088	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+Na+K"	61.952376
"782226"	440.470038	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+Na+K"	61.952376
"1674545"	167.474138	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Na+K"	61.952376
"263620"	610.007568	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+ACN+Na"	64.015768
"1235601"	337.011668	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+ACN+Na"	64.015768
"1719382"	337.035193	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+NH4+HCOOH"	64.039293
"1185825"	113.987851333333	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+3Na"	68.967654
"1658999"	341.990588	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Na+HCOOH"	68.994688
"162580"	622.91084	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+2K-H"	76.91904
"607610"	895.90674	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+2K-H"	76.91904
"1092853"	349.91494	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2K-H"	76.91904
"145659"	311.959058	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"2M+2K"	77.926316
"583395"	448.457008	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"3M+2K"	77.926316
"1069123"	175.461108	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2K"	77.926316
"1100385"	351.929492	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2K+H"	78.933592
"1336897"	352.017107	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+DMSO+H"	79.021207
"1005830"	356.056276	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2ACN+H"	83.060376
"1524515"	357.049908	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+IsoProp+Na+H"	84.054008
"990116"	178.531776	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+2ACN+2H"	84.067652
"1587014"	357.964528	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+K+HCOOH"	84.968628
"1420256"	387.996038	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+H+CF3COOH"	115.000138
"1157107"	199.045051	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+3ACN+2H"	125.094202
"1712128"	405.022585	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+NH4+CF3COOH"	132.026685
"1642309"	409.97798	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+Na+CF3COOH"	136.98208
"1573585"	425.95192	"C18928"	"Dichlozoline"	"C11H9Cl2NO3"	"272.9959"	"M+K+CF3COOH"	152.95602
"802857"	237.0305	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M"	0
"979670"	218.01211	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-H2O-H"	-19.01839
"69005"	157.013057333333	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M-3H"	-3.021828
"507472"	236.023224	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M-3H"	-3.021828
"884180"	78.0028906666667	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-3H"	-3.021828
"4942"	236.023224	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M-2H"	-2.014552
"454998"	354.538474	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M-2H"	-2.014552
"832685"	117.507974	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-2H"	-2.014552
"94238"	473.053724	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M-H"	-1.007276
"530617"	710.084224	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M-H"	-1.007276
"910363"	236.023224	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-H"	-1.007276
"52956"	490.080271	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M-2H+NH4"	16.019271
"499076"	727.110771	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M-2H+NH4"	16.019271
"874691"	253.049771	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-2H+NH4"	16.019271
"45021"	495.035666	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M-2H+Na"	20.974666
"481783"	732.066166	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M-2H+Na"	20.974666
"858491"	258.005166	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-2H+Na"	20.974666
"1626201"	258.005166	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Na-2H"	20.974666
"100546"	254.011563	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M-H+Cl"	33.962126
"536823"	372.526813	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M-H+Cl"	33.962126
"928516"	135.496313	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-H+Cl"	33.962126
"282146"	509.030402	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+Cl"	34.969402
"666789"	746.060902	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+Cl"	34.969402
"1285761"	271.999902	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Cl"	34.969402
"29411"	511.009606	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M-2H+K"	36.948606
"466782"	748.040106	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M-2H+K"	36.948606
"846771"	273.979106	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-2H+K"	36.948606
"1565885"	273.979106	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+K-2H"	36.948606
"949396"	282.028694	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-H+HCOOH"	44.998194
"370891"	519.059201	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+HCOOH-H"	44.998201
"359152"	533.074851	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+Hac-H"	59.013851
"1502514"	296.044351	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Hac-H"	59.013851
"968966"	304.010651	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-H+NaCOOH"	66.980151
"121153"	271.999902	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+2Cl"	69.938804
"563871"	390.515152	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+2Cl"	69.938804
"1033884"	153.484652	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2Cl"	69.938804
"1247995"	315.949385	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Br"	78.918885
"1310446"	318.005372	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Cl+HCOOH"	80.974872
"1326851"	339.987329	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Cl+NaCOOH"	102.956829
"920099"	350.016086	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M-H+CF3COOH"	112.985586
"1295713"	385.992764	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Cl+CF3COOH"	148.962264
"1380801"	202.017824	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H-2H2O"	-35.012676
"1396475"	220.0278	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H-H2O"	-17.0027
"291055"	475.068276	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+H"	1.007276
"686400"	712.098776	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+H"	1.007276
"1363844"	238.037776	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H"	1.007276
"138557"	238.037776	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+2H"	2.014552
"575928"	356.553026	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+2H"	2.014552
"1051291"	119.522526	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2H"	2.014552
"217736"	159.027609333333	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+3H"	3.021828
"647456"	238.037776	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+3H"	3.021828
"1165582"	80.0174426666667	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+3H"	3.021828
"435412"	492.094823	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+NH4"	18.033823
"790943"	729.125323	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+NH4"	18.033823
"1686180"	255.064323	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+NH4"	18.033823
"338830"	246.5510495	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+H+NH4"	19.041099
"733438"	365.0662995	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+H+NH4"	19.041099
"1483976"	128.0357995	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H+NH4"	19.041099
"393909"	497.050218	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+Na"	22.989218
"755997"	734.080718	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+Na"	22.989218
"1607374"	260.019718	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Na"	22.989218
"319598"	249.028747	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+H+Na"	23.996494
"708980"	367.543997	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+H+Na"	23.996494
"1465838"	130.513497	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H+Na"	23.996494
"1057991"	87.3447566666667	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2H+Na"	25.00377
"1258944"	270.063986	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+CH3OH+H"	33.033486
"389196"	513.024158	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+K"	38.963158
"746907"	750.054658	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+K"	38.963158
"1552608"	275.993658	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+K"	38.963158
"308326"	257.015717	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+H+K"	39.970434
"703300"	375.530967	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+H+K"	39.970434
"1453474"	138.500467	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H+K"	39.970434
"246451"	516.094826	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+ACN+H"	42.033826
"1219159"	279.064326	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+ACN+H"	42.033826
"1207050"	140.035801	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+ACN+2H"	43.041102
"197732"	519.03216	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+2Na-H"	44.97116
"642032"	756.06266	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+2Na-H"	44.97116
"1138976"	282.00166	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2Na-H"	44.97116
"180081"	260.019718	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+2Na"	45.978436
"624380"	378.534968	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+2Na"	45.978436
"1124240"	141.504468	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2Na"	45.978436
"1405577"	94.6720706666667	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H+2Na"	46.985712
"1439516"	284.043246	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H+HCOOH"	47.012746
"227388"	265.05274	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+3H2O+2H"	56.04448
"1516545"	298.09529	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+IsoProp+H"	61.06479
"414046"	268.006688	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+Na+K"	61.952376
"781608"	386.521938	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+Na+K"	61.952376
"1674654"	149.491438	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Na+K"	61.952376
"264459"	538.076768	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+ACN+Na"	64.015768
"1238260"	301.046268	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+ACN+Na"	64.015768
"1723866"	301.069793	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+NH4+HCOOH"	64.039293
"1187029"	101.999384666667	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+3Na"	68.967654
"1660202"	306.025188	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Na+HCOOH"	68.994688
"163783"	550.98004	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+2K-H"	76.91904
"605536"	788.01054	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+2K-H"	76.91904
"1093328"	313.94954	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2K-H"	76.91904
"146861"	275.993658	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"2M+2K"	77.926316
"590797"	394.508908	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"3M+2K"	77.926316
"1074217"	157.478408	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2K"	77.926316
"1100499"	315.964092	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2K+H"	78.933592
"1335791"	316.051707	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+DMSO+H"	79.021207
"1006873"	320.090876	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2ACN+H"	83.060376
"1524756"	321.084508	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+IsoProp+Na+H"	84.054008
"991450"	160.549076	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+2ACN+2H"	84.067652
"1587650"	321.999128	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+K+HCOOH"	84.968628
"1415263"	352.030638	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+H+CF3COOH"	115.000138
"1150655"	181.062351	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+3ACN+2H"	125.094202
"1700206"	369.057185	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+NH4+CF3COOH"	132.026685
"1642419"	374.01258	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+Na+CF3COOH"	136.98208
"1573695"	389.98652	"C18929"	"Drazoxolon"	"C10H8ClN3O2"	"237.0305"	"M+K+CF3COOH"	152.95602
"802601"	372.1694	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M"	0
"977593"	353.15101	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-H2O-H"	-19.01839
"65835"	247.105657333333	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M-3H"	-3.021828
"507582"	371.162124	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M-3H"	-3.021828
"884290"	123.049190666667	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-3H"	-3.021828
"2864"	371.162124	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M-2H"	-2.014552
"454703"	557.246824	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M-2H"	-2.014552
"832387"	185.077424	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-2H"	-2.014552
"92249"	743.331524	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M-H"	-1.007276
"530363"	1115.500924	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M-H"	-1.007276
"909500"	371.162124	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-H"	-1.007276
"60719"	760.358071	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M-2H+NH4"	16.019271
"500280"	1132.527471	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M-2H+NH4"	16.019271
"877960"	388.188671	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-2H+NH4"	16.019271
"45010"	765.313466	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M-2H+Na"	20.974666
"481529"	1137.482866	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M-2H+Na"	20.974666
"855685"	393.144066	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-2H+Na"	20.974666
"1626311"	393.144066	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Na-2H"	20.974666
"101750"	389.150463	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M-H+Cl"	33.962126
"536933"	575.235163	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M-H+Cl"	33.962126
"929719"	203.065763	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-H+Cl"	33.962126
"281649"	779.308202	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+Cl"	34.969402
"666899"	1151.477602	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+Cl"	34.969402
"1283682"	407.138802	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Cl"	34.969402
"30576"	781.287406	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M-2H+K"	36.948606
"470418"	1153.456806	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M-2H+K"	36.948606
"844695"	409.118006	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-2H+K"	36.948606
"1567093"	409.118006	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+K-2H"	36.948606
"958259"	417.167594	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-H+HCOOH"	44.998194
"375377"	789.337001	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+HCOOH-H"	44.998201
"360357"	803.352651	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+Hac-H"	59.013851
"1507648"	431.183251	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Hac-H"	59.013851
"969076"	439.149551	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-H+NaCOOH"	66.980151
"124422"	407.138802	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+2Cl"	69.938804
"564104"	593.223502	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+2Cl"	69.938804
"1030714"	221.054102	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2Cl"	69.938804
"1250292"	451.088285	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Br"	78.918885
"1312743"	453.144272	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Cl+HCOOH"	80.974872
"1326961"	475.126229	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Cl+NaCOOH"	102.956829
"920209"	485.154986	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M-H+CF3COOH"	112.985586
"1295823"	521.131664	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Cl+CF3COOH"	148.962264
"1381639"	337.156724	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H-2H2O"	-35.012676
"1396949"	355.1667	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H-H2O"	-17.0027
"290072"	745.346076	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+H"	1.007276
"689793"	1117.515476	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+H"	1.007276
"1365777"	373.176676	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H"	1.007276
"137209"	373.176676	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+2H"	2.014552
"575674"	559.261376	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+2H"	2.014552
"1048484"	187.091976	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2H"	2.014552
"217968"	249.120209333333	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+3H"	3.021828
"651941"	373.176676	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+3H"	3.021828
"1167879"	125.063742666667	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+3H"	3.021828
"431151"	762.372623	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+NH4"	18.033823
"793241"	1134.542023	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+NH4"	18.033823
"1687385"	390.203223	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+NH4"	18.033823
"339671"	381.6899495	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+H+NH4"	19.041099
"732091"	567.7746495	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+H+NH4"	19.041099
"1486273"	195.6052495	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H+NH4"	19.041099
"396207"	767.328018	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+Na"	22.989218
"757201"	1139.497418	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+Na"	22.989218
"1608579"	395.158618	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Na"	22.989218
"319708"	384.167647	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+H+Na"	23.996494
"711034"	570.252347	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+H+Na"	23.996494
"1465950"	198.082947	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H+Na"	23.996494
"1054825"	132.391056666667	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2H+Na"	25.00377
"1257598"	405.202886	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+CH3OH+H"	33.033486
"388212"	783.301958	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+K"	38.963158
"745924"	1155.471358	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+K"	38.963158
"1553082"	411.132558	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+K"	38.963158
"306249"	392.154617	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+H+K"	39.970434
"701951"	578.239317	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+H+K"	39.970434
"1453584"	206.069917	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H+K"	39.970434
"244374"	786.372626	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+ACN+H"	42.033826
"1219269"	414.203226	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+ACN+H"	42.033826
"1206067"	207.605251	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+ACN+2H"	43.041102
"202095"	789.30996	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+2Na-H"	44.97116
"642750"	1161.47936	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+2Na-H"	44.97116
"1141273"	417.14056	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2Na-H"	44.97116
"181285"	395.158618	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+2Na"	45.978436
"620845"	581.243318	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+2Na"	45.978436
"1122164"	209.073918	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2Na"	45.978436
"1404595"	139.718370666667	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H+2Na"	46.985712
"1436710"	419.182146	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H+HCOOH"	47.012746
"229685"	400.19164	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+3H2O+2H"	56.04448
"1514469"	433.23419	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+IsoProp+H"	61.06479
"413063"	403.145588	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+Na+K"	61.952376
"781351"	589.230288	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+Na+K"	61.952376
"1671485"	217.060888	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Na+K"	61.952376
"264205"	808.354568	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+ACN+Na"	64.015768
"1238736"	436.185168	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+ACN+Na"	64.015768
"1725799"	436.208693	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+NH4+HCOOH"	64.039293
"1187143"	147.045684666667	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+3Na"	68.967654
"1662502"	441.164088	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Na+HCOOH"	68.994688
"168269"	821.25784	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+2K-H"	76.91904
"608927"	1193.42724	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+2K-H"	76.91904
"1098177"	449.08844	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2K-H"	76.91904
"146975"	411.132558	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"2M+2K"	77.926316
"587628"	597.217258	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"3M+2K"	77.926316
"1074328"	225.047858	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2K"	77.926316
"1101341"	451.102992	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2K+H"	78.933592
"1336632"	451.190607	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+DMSO+H"	79.021207
"1008444"	455.229776	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2ACN+H"	83.060376
"1526569"	456.223408	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+IsoProp+Na+H"	84.054008
"991560"	228.118526	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+2ACN+2H"	84.067652
"1588249"	457.138028	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+K+HCOOH"	84.968628
"1420476"	487.169538	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+H+CF3COOH"	115.000138
"1150765"	248.631801	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+3ACN+2H"	125.094202
"1700316"	504.196085	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+NH4+CF3COOH"	132.026685
"1641436"	509.15148	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+Na+CF3COOH"	136.98208
"1572712"	525.12542	"C18930"	"Buthiobate"	"C21H28N2S2"	"372.1694"	"M+K+CF3COOH"	152.95602
"803077"	272.9861	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M"	0
"980983"	253.96771	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-H2O-H"	-19.01839
"72505"	180.983457333333	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M-3H"	-3.021828
"516439"	271.978824	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M-3H"	-3.021828
"882213"	89.9880906666667	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-3H"	-3.021828
"1881"	271.978824	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M-2H"	-2.014552
"455259"	408.471874	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M-2H"	-2.014552
"832539"	135.485774	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-2H"	-2.014552
"94070"	544.964924	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M-H"	-1.007276
"532418"	817.951024	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M-H"	-1.007276
"909975"	271.978824	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-H"	-1.007276
"57549"	561.991471	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M-2H+NH4"	16.019271
"500388"	834.977571	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M-2H+NH4"	16.019271
"874911"	289.005371	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-2H+NH4"	16.019271
"44633"	566.946866	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M-2H+Na"	20.974666
"480181"	839.932966	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M-2H+Na"	20.974666
"853608"	293.960766	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-2H+Na"	20.974666
"1621316"	293.960766	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Na-2H"	20.974666
"97484"	289.967163	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M-H+Cl"	33.962126
"537044"	426.460213	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M-H+Cl"	33.962126
"928736"	153.474113	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-H+Cl"	33.962126
"278964"	580.941602	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+Cl"	34.969402
"670289"	853.927702	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+Cl"	34.969402
"1283792"	307.955502	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Cl"	34.969402
"29754"	582.920806	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M-2H+K"	36.948606
"467005"	855.906906	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M-2H+K"	36.948606
"847724"	309.934706	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-2H+K"	36.948606
"1566109"	309.934706	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+K-2H"	36.948606
"956178"	317.984294	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-H+HCOOH"	44.998194
"376338"	590.970401	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+HCOOH-H"	44.998201
"359371"	604.986051	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+Hac-H"	59.013851
"1507109"	331.999951	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Hac-H"	59.013851
"963719"	339.966251	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-H+NaCOOH"	66.980151
"122467"	307.955502	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+2Cl"	69.938804
"558747"	444.448552	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+2Cl"	69.938804
"1034105"	171.462452	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2Cl"	69.938804
"1248217"	351.904985	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Br"	78.918885
"1309574"	353.960972	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Cl+HCOOH"	80.974872
"1323791"	375.942929	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Cl+NaCOOH"	102.956829
"920319"	385.971686	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M-H+CF3COOH"	112.985586
"1298120"	421.948364	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Cl+CF3COOH"	148.962264
"1381385"	237.973424	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H-2H2O"	-35.012676
"1397059"	255.9834	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H-H2O"	-17.0027
"290182"	546.979476	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+H"	1.007276
"690267"	819.965576	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+H"	1.007276
"1366374"	273.993376	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H"	1.007276
"138049"	273.993376	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+2H"	2.014552
"576512"	410.486426	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+2H"	2.014552
"1048960"	137.500326	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2H"	2.014552
"217592"	182.998009333333	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+3H"	3.021828
"654966"	273.993376	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+3H"	3.021828
"1167989"	92.0026426666667	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+3H"	3.021828
"434543"	564.006023	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+NH4"	18.033823
"790070"	836.992123	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+NH4"	18.033823
"1687495"	291.019923	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+NH4"	18.033823
"340875"	282.5066495	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+H+NH4"	19.041099
"735847"	418.9996995	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+H+NH4"	19.041099
"1484198"	146.0135995	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H+NH4"	19.041099
"396318"	568.961418	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+Na"	22.989218
"759497"	841.947518	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+Na"	22.989218
"1605776"	295.975318	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Na"	22.989218
"320913"	284.984347	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+H+Na"	23.996494
"711147"	421.477397	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+H+Na"	23.996494
"1463877"	148.491297	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H+Na"	23.996494
"1059305"	99.3299566666667	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2H+Na"	25.00377
"1259895"	306.019586	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+CH3OH+H"	33.033486
"387228"	584.935358	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+K"	38.963158
"743848"	857.921458	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+K"	38.963158
"1552101"	311.949258	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+K"	38.963158
"308547"	292.971317	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+H+K"	39.970434
"698782"	429.464367	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+H+K"	39.970434
"1453694"	156.478267	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H+K"	39.970434
"241205"	588.006026	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+ACN+H"	42.033826
"1218287"	315.019926	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+ACN+H"	42.033826
"1202170"	158.013601	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+ACN+2H"	43.041102
"199413"	590.94336	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+2Na-H"	44.97116
"641157"	863.92946	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+2Na-H"	44.97116
"1140290"	317.95726	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2Na-H"	44.97116
"178114"	295.975318	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+2Na"	45.978436
"618767"	432.468368	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+2Na"	45.978436
"1121181"	159.482268	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2Na"	45.978436
"1404704"	106.657270666667	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H+2Na"	46.985712
"1433539"	319.998846	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H+HCOOH"	47.012746
"229795"	301.00834	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+3H2O+2H"	56.04448
"1514579"	334.05089	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+IsoProp+H"	61.06479
"413173"	303.962288	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+Na+K"	61.952376
"774168"	440.455338	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+Na+K"	61.952376
"1671595"	167.469238	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Na+K"	61.952376
"263220"	609.987968	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+ACN+Na"	64.015768
"1238117"	337.001868	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+ACN+Na"	64.015768
"1724086"	337.025393	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+NH4+HCOOH"	64.039293
"1192607"	113.984584666667	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+3Na"	68.967654
"1663228"	341.980788	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Na+HCOOH"	68.994688
"169474"	622.89124	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+2K-H"	76.91904
"610496"	895.87734	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+2K-H"	76.91904
"1093548"	349.90514	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2K-H"	76.91904
"148178"	311.949258	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"2M+2K"	77.926316
"586646"	448.442308	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"3M+2K"	77.926316
"1076625"	175.456208	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2K"	77.926316
"1102544"	351.919692	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2K+H"	78.933592
"1340754"	352.007307	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+DMSO+H"	79.021207
"1008556"	356.046476	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2ACN+H"	83.060376
"1526680"	357.040108	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+IsoProp+Na+H"	84.054008
"993858"	178.526876	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+2ACN+2H"	84.067652
"1589454"	357.954728	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+K+HCOOH"	84.968628
"1419494"	387.986238	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+H+CF3COOH"	115.000138
"1153062"	199.040151	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+3ACN+2H"	125.094202
"1700426"	405.012785	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+NH4+CF3COOH"	132.026685
"1634331"	409.96818	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+Na+CF3COOH"	136.98208
"1573186"	425.94212	"C18931"	"Pyridinitril"	"C13H5Cl2N3"	"272.9861"	"M+K+CF3COOH"	152.95602
"814125"	330.0327	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M"	0
"985469"	311.01431	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H2O-H"	-19.01839
"77360"	219.014524	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-3H"	-3.021828
"516551"	329.025424	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-3H"	-3.021828
"894233"	109.003624	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-3H"	-3.021828
"12928"	329.025424	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H"	-2.014552
"451399"	494.041774	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H"	-2.014552
"832726"	164.009074	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H"	-2.014552
"94244"	659.058124	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-H"	-1.007276
"532042"	989.090824	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-H"	-1.007276
"910692"	329.025424	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H"	-1.007276
"57659"	676.084671	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H+NH4"	16.019271
"499405"	1006.117371	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H+NH4"	16.019271
"876842"	346.051971	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H+NH4"	16.019271
"44014"	681.040066	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H+Na"	20.974666
"479197"	1011.072766	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H+Na"	20.974666
"852259"	351.007366	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H+Na"	20.974666
"1623248"	351.007366	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na-2H"	20.974666
"97594"	347.013763	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-H+Cl"	33.962126
"536060"	512.030113	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-H+Cl"	33.962126
"930668"	181.997413	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+Cl"	33.962126
"279074"	695.034802	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Cl"	34.969402
"663839"	1025.067502	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+Cl"	34.969402
"1286821"	365.002102	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl"	34.969402
"28282"	697.014006	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M-2H+K"	36.948606
"469667"	1027.046706	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M-2H+K"	36.948606
"847471"	366.981306	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-2H+K"	36.948606
"1566219"	366.981306	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K-2H"	36.948606
"958031"	375.030894	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+HCOOH"	44.998194
"376449"	705.063601	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+HCOOH-H"	44.998201
"359480"	719.079251	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Hac-H"	59.013851
"1501752"	389.046551	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Hac-H"	59.013851
"967109"	397.012851	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+NaCOOH"	66.980151
"120390"	365.002102	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2Cl"	69.938804
"555577"	530.018452	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2Cl"	69.938804
"1030935"	199.985752	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2Cl"	69.938804
"1248327"	408.951585	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Br"	78.918885
"1308954"	411.007572	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl+HCOOH"	80.974872
"1326088"	432.989529	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl+NaCOOH"	102.956829
"923709"	443.018286	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M-H+CF3COOH"	112.985586
"1301147"	478.994964	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Cl+CF3COOH"	148.962264
"1379307"	295.020024	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H-2H2O"	-35.012676
"1397169"	313.03	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H-H2O"	-17.0027
"292478"	661.072676	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H"	1.007276
"688920"	991.105376	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H"	1.007276
"1365633"	331.039976	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H"	1.007276
"140833"	331.039976	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2H"	2.014552
"578081"	496.056326	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2H"	2.014552
"1050532"	166.023626	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2H"	2.014552
"217948"	221.029076	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+3H"	3.021828
"656171"	331.039976	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+3H"	3.021828
"1168100"	111.018176	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+3H"	3.021828
"432467"	678.099223	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+NH4"	18.033823
"790180"	1008.131923	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+NH4"	18.033823
"1690886"	348.066523	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+NH4"	18.033823
"343538"	339.5532495	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H+NH4"	19.041099
"735228"	504.5695995	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H+NH4"	19.041099
"1488682"	174.5368995	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+NH4"	19.041099
"396062"	683.054618	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Na"	22.989218
"758514"	1013.087318	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+Na"	22.989218
"1604914"	353.021918	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na"	22.989218
"319199"	342.030947	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H+Na"	23.996494
"709191"	507.047297	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H+Na"	23.996494
"1466174"	177.014597	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+Na"	23.996494
"1055772"	118.34549	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2H+Na"	25.00377
"1258909"	363.066186	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+CH3OH+H"	33.033486
"382963"	699.028558	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+K"	38.963158
"742865"	1029.061258	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+K"	38.963158
"1550386"	368.995858	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K"	38.963158
"309751"	350.017917	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+H+K"	39.970434
"703995"	515.034267	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+H+K"	39.970434
"1453804"	185.001567	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+K"	39.970434
"244594"	702.099226	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+ACN+H"	42.033826
"1220583"	372.066526	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+ACN+H"	42.033826
"1203374"	186.536901	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+ACN+2H"	43.041102
"199522"	705.03656	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2Na-H"	44.97116
"641267"	1035.06926	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2Na-H"	44.97116
"1140400"	375.00386	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2Na-H"	44.97116
"179317"	353.021918	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2Na"	45.978436
"615597"	518.038268	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2Na"	45.978436
"1121291"	188.005568	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2Na"	45.978436
"1403720"	125.672804	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+2Na"	46.985712
"1432555"	377.045446	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+HCOOH"	47.012746
"227719"	358.05494	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+3H2O+2H"	56.04448
"1514689"	391.09749	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+IsoProp+H"	61.06479
"415469"	361.008888	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+Na+K"	61.952376
"777558"	526.025238	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+Na+K"	61.952376
"1671705"	195.992538	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na+K"	61.952376
"262600"	724.081168	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+ACN+Na"	64.015768
"1238591"	394.048468	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+ACN+Na"	64.015768
"1724196"	394.071993	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+NH4+HCOOH"	64.039293
"1193687"	133.000118	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+3Na"	68.967654
"1662728"	399.027388	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na+HCOOH"	68.994688
"167399"	736.98444	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2K-H"	76.91904
"609147"	1067.01714	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2K-H"	76.91904
"1093658"	406.95174	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2K-H"	76.91904
"148287"	368.995858	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"2M+2K"	77.926316
"584569"	534.012208	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"3M+2K"	77.926316
"1069446"	203.979508	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2K"	77.926316
"1102654"	408.966292	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2K+H"	78.933592
"1340135"	409.053907	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+DMSO+H"	79.021207
"1008301"	413.093076	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2ACN+H"	83.060376
"1528614"	414.086708	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+IsoProp+Na+H"	84.054008
"993969"	207.050176	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+2ACN+2H"	84.067652
"1591754"	415.001328	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K+HCOOH"	84.968628
"1422884"	445.032838	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+H+CF3COOH"	115.000138
"1161921"	227.563451	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+3ACN+2H"	125.094202
"1710379"	462.059385	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+NH4+CF3COOH"	132.026685
"1641656"	467.01478	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+Na+CF3COOH"	136.98208
"1572932"	482.98872	"C18932"	"Triarimol"	"C17H12Cl2N2O"	"330.0327"	"M+K+CF3COOH"	152.95602
"802931"	243.8652	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M"	0
"986671"	224.84681	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-H2O-H"	-19.01839
"78080"	161.569524	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M-3H"	-3.021828
"516297"	242.857924	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M-3H"	-3.021828
"895441"	80.281124	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-3H"	-3.021828
"12674"	242.857924	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M-2H"	-2.014552
"452602"	364.790524	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M-2H"	-2.014552
"832638"	120.925324	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-2H"	-2.014552
"93435"	486.723124	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M-H"	-1.007276
"528870"	730.588324	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M-H"	-1.007276
"905581"	242.857924	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-H"	-1.007276
"58862"	503.749671	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M-2H+NH4"	16.019271
"499515"	747.614871	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M-2H+NH4"	16.019271
"876223"	259.884471	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-2H+NH4"	16.019271
"45217"	508.705066	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M-2H+Na"	20.974666
"479306"	752.570266	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M-2H+Na"	20.974666
"854920"	264.839866	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-2H+Na"	20.974666
"1623357"	264.839866	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Na-2H"	20.974666
"98797"	260.846263	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M-H+Cl"	33.962126
"538356"	382.778863	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M-H+Cl"	33.962126
"935156"	138.913663	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-H+Cl"	33.962126
"279183"	522.699802	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+Cl"	34.969402
"670510"	766.565002	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+Cl"	34.969402
"1286929"	278.834602	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Cl"	34.969402
"29489"	524.679006	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M-2H+K"	36.948606
"470141"	768.544206	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M-2H+K"	36.948606
"847942"	280.813806	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-2H+K"	36.948606
"1568512"	280.813806	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+K-2H"	36.948606
"954209"	288.863394	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-H+HCOOH"	44.998194
"369143"	532.728601	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+HCOOH-H"	44.998201
"359589"	546.744251	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+Hac-H"	59.013851
"1499675"	302.879051	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Hac-H"	59.013851
"970499"	310.845351	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-H+NaCOOH"	66.980151
"121594"	278.834602	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+2Cl"	69.938804
"555687"	400.767202	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+2Cl"	69.938804
"1034325"	156.902002	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2Cl"	69.938804
"1247709"	322.784085	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Br"	78.918885
"1309064"	324.840072	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Cl+HCOOH"	80.974872
"1326198"	346.822029	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Cl+NaCOOH"	102.956829
"923819"	356.850786	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M-H+CF3COOH"	112.985586
"1301621"	392.827464	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Cl+CF3COOH"	148.962264
"1377594"	208.852524	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H-2H2O"	-35.012676
"1396915"	226.8625	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H-H2O"	-17.0027
"290402"	488.737676	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+H"	1.007276
"688300"	732.602876	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+H"	1.007276
"1365379"	244.872476	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H"	1.007276
"140092"	244.872476	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+2H"	2.014552
"577826"	366.805076	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+2H"	2.014552
"1051370"	122.939876	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2H"	2.014552
"214892"	163.584076	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+3H"	3.021828
"658467"	244.872476	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+3H"	3.021828
"1174409"	82.295676	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+3H"	3.021828
"427108"	505.764223	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+NH4"	18.033823
"790290"	749.629423	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+NH4"	18.033823
"1695371"	261.899023	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+NH4"	18.033823
"343648"	253.3857495	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+H+NH4"	19.041099
"736067"	375.3183495	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+H+NH4"	19.041099
"1491589"	131.4531495	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H+NH4"	19.041099
"396537"	510.719618	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+Na"	22.989218
"757531"	754.584818	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+Na"	22.989218
"1604538"	266.854418	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Na"	22.989218
"316397"	255.863447	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+H+Na"	23.996494
"709545"	377.796047	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+H+Na"	23.996494
"1464098"	133.930847	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H+Na"	23.996494
"1055155"	89.62299	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2H+Na"	25.00377
"1259019"	276.898686	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+CH3OH+H"	33.033486
"381979"	526.693558	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+K"	38.963158
"745161"	770.558758	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+K"	38.963158
"1545028"	282.828358	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+K"	38.963158
"310954"	263.850417	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+H+K"	39.970434
"705562"	385.783017	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+H+K"	39.970434
"1453914"	141.917817	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H+K"	39.970434
"244704"	529.764226	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+ACN+H"	42.033826
"1221786"	285.899026	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+ACN+H"	42.033826
"1204578"	143.453151	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+ACN+2H"	43.041102
"200725"	532.70156	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+2Na-H"	44.97116
"641378"	776.56676	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+2Na-H"	44.97116
"1141603"	288.83636	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2Na-H"	44.97116
"178333"	266.854418	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+2Na"	45.978436
"617893"	388.787018	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+2Na"	45.978436
"1121401"	144.921818	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2Na"	45.978436
"1404922"	96.950304	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H+2Na"	46.985712
"1433758"	290.877946	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H+HCOOH"	47.012746
"228922"	271.88744	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+3H2O+2H"	56.04448
"1516985"	304.92999	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+IsoProp+H"	61.06479
"414486"	274.841388	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+Na+K"	61.952376
"778761"	396.773988	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+Na+K"	61.952376
"1675094"	152.908788	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Na+K"	61.952376
"260524"	551.746168	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+ACN+Na"	64.015768
"1233234"	307.880968	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+ACN+Na"	64.015768
"1722120"	307.904493	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+NH4+HCOOH"	64.039293
"1193067"	104.277618	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+3Na"	68.967654
"1664056"	312.859888	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Na+HCOOH"	68.994688
"165323"	564.64944	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+2K-H"	76.91904
"607071"	808.51464	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+2K-H"	76.91904
"1092677"	320.78424	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2K-H"	76.91904
"145118"	282.828358	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"2M+2K"	77.926316
"583586"	404.760958	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"3M+2K"	77.926316
"1069919"	160.895758	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2K"	77.926316
"1103494"	322.798792	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2K+H"	78.933592
"1338423"	322.886407	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+DMSO+H"	79.021207
"1008412"	326.925576	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2ACN+H"	83.060376
"1527994"	327.919208	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+IsoProp+Na+H"	84.054008
"995171"	163.966426	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+2ACN+2H"	84.067652
"1588584"	328.833828	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+K+HCOOH"	84.968628
"1416432"	358.865338	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+H+CF3COOH"	115.000138
"1162277"	184.479701	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+3ACN+2H"	125.094202
"1710489"	375.891885	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+NH4+CF3COOH"	132.026685
"1641766"	380.84728	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+Na+CF3COOH"	136.98208
"1573042"	396.82122	"C18933"	"Chloranil;p-Chloranil;2356-Tetrachloro-14-benzoquinone"	"C6Cl4O2"	"243.8652"	"M+K+CF3COOH"	152.95602
"802027"	232.067	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M"	0
"986781"	213.04861	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-H2O-H"	-19.01839
"69555"	153.704057333333	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M-3H"	-3.021828
"516407"	231.059724	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M-3H"	-3.021828
"894210"	76.3483906666667	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-3H"	-3.021828
"13877"	231.059724	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M-2H"	-2.014552
"449431"	347.093224	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M-2H"	-2.014552
"828327"	115.026224	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-2H"	-2.014552
"94253"	463.126724	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M-H"	-1.007276
"532869"	695.193724	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M-H"	-1.007276
"908971"	231.059724	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-H"	-1.007276
"57877"	480.153271	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M-2H+NH4"	16.019271
"500840"	712.220271	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M-2H+NH4"	16.019271
"876330"	248.086271	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-2H+NH4"	16.019271
"45449"	485.108666	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M-2H+Na"	20.974666
"481603"	717.175666	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M-2H+Na"	20.974666
"853937"	253.041666	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-2H+Na"	20.974666
"1622010"	253.041666	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Na-2H"	20.974666
"97814"	249.048063	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M-H+Cl"	33.962126
"538466"	365.081563	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M-H+Cl"	33.962126
"935266"	133.014563	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-H+Cl"	33.962126
"279293"	499.103402	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+Cl"	34.969402
"667340"	731.170402	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+Cl"	34.969402
"1286315"	267.036402	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Cl"	34.969402
"29722"	501.082606	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M-2H+K"	36.948606
"469887"	733.149606	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M-2H+K"	36.948606
"847688"	269.015606	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-2H+K"	36.948606
"1566801"	269.015606	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+K-2H"	36.948606
"954684"	277.065194	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-H+HCOOH"	44.998194
"371075"	509.132201	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+HCOOH-H"	44.998201
"354228"	523.147851	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+Hac-H"	59.013851
"1508177"	291.080851	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Hac-H"	59.013851
"974070"	299.047151	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-H+NaCOOH"	66.980151
"123532"	267.036402	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+2Cl"	69.938804
"557254"	383.069902	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+2Cl"	69.938804
"1033342"	151.002902	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2Cl"	69.938804
"1247089"	310.985885	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Br"	78.918885
"1310995"	313.041872	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Cl+HCOOH"	80.974872
"1329224"	335.023829	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Cl+NaCOOH"	102.956829
"922104"	345.052586	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M-H+CF3COOH"	112.985586
"1297353"	381.029264	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Cl+CF3COOH"	148.962264
"1378797"	197.054324	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H-2H2O"	-35.012676
"1397025"	215.0643	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H-H2O"	-17.0027
"292698"	465.141276	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+H"	1.007276
"690599"	697.208276	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+H"	1.007276
"1366992"	233.074276	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H"	1.007276
"140931"	233.074276	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+2H"	2.014552
"578301"	349.107776	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+2H"	2.014552
"1051361"	117.040776	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2H"	2.014552
"214638"	155.718609333333	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+3H"	3.021828
"658823"	233.074276	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+3H"	3.021828
"1174883"	78.3629426666667	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+3H"	3.021828
"427219"	482.167823	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+NH4"	18.033823
"791494"	714.234823	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+NH4"	18.033823
"1690013"	250.100823	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+NH4"	18.033823
"344487"	241.5875495	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+H+NH4"	19.041099
"736541"	357.6210495	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+H+NH4"	19.041099
"1489997"	125.5540495	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H+NH4"	19.041099
"394096"	487.123218	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+Na"	22.989218
"758734"	719.190218	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+Na"	22.989218
"1604040"	255.056218	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Na"	22.989218
"315656"	244.065247	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+H+Na"	23.996494
"712570"	360.098747	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+H+Na"	23.996494
"1465302"	128.031747	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H+Na"	23.996494
"1056721"	85.6902566666667	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2H+Na"	25.00377
"1260225"	265.100486	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+CH3OH+H"	33.033486
"380987"	503.097158	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+K"	38.963158
"743079"	735.164158	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+K"	38.963158
"1547317"	271.030158	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+K"	38.963158
"304491"	252.052217	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+H+K"	39.970434
"696921"	368.085717	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+H+K"	39.970434
"1447822"	136.018717	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H+K"	39.970434
"244814"	506.167826	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+ACN+H"	42.033826
"1221896"	274.100826	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+ACN+H"	42.033826
"1207968"	137.554051	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+ACN+2H"	43.041102
"199742"	509.10516	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+2Na-H"	44.97116
"640394"	741.17216	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+2Na-H"	44.97116
"1140619"	277.03816	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2Na-H"	44.97116
"177351"	255.056218	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+2Na"	45.978436
"615816"	371.089718	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+2Na"	45.978436
"1119324"	139.022718	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2Na"	45.978436
"1403939"	93.0175706666667	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H+2Na"	46.985712
"1436055"	279.079746	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H+HCOOH"	47.012746
"229032"	260.08924	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+3H2O+2H"	56.04448
"1513815"	293.13179	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+IsoProp+H"	61.06479
"414596"	263.043188	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+Na+K"	61.952376
"778871"	379.076688	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+Na+K"	61.952376
"1676297"	147.009688	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Na+K"	61.952376
"261726"	528.149768	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+ACN+Na"	64.015768
"1238810"	296.082768	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+ACN+Na"	64.015768
"1725510"	296.106293	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+NH4+HCOOH"	64.039293
"1193422"	100.344884666667	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+3Na"	68.967654
"1664408"	301.061688	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Na+HCOOH"	68.994688
"164339"	541.05304	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+2K-H"	76.91904
"609368"	773.12004	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+2K-H"	76.91904
"1097161"	308.98604	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2K-H"	76.91904
"144499"	271.030158	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"2M+2K"	77.926316
"584060"	387.063658	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"3M+2K"	77.926316
"1070758"	154.996658	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2K"	77.926316
"1102511"	311.000592	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2K+H"	78.933592
"1339262"	311.088207	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+DMSO+H"	79.021207
"1009978"	315.127376	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2ACN+H"	83.060376
"1529197"	316.121008	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+IsoProp+Na+H"	84.054008
"995281"	158.067326	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+2ACN+2H"	84.067652
"1591244"	317.035628	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+K+HCOOH"	84.968628
"1416542"	347.067138	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+H+CF3COOH"	115.000138
"1162550"	178.580601	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+3ACN+2H"	125.094202
"1710599"	364.093685	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+NH4+CF3COOH"	132.026685
"1641876"	369.04908	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+Na+CF3COOH"	136.98208
"1573516"	385.02302	"C18934"	"Metsulfovax"	"C12H12N2OS"	"232.067"	"M+K+CF3COOH"	152.95602
"801483"	273.958	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M"	0
"986891"	254.93961	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-H2O-H"	-19.01839
"69665"	181.631390666667	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M-3H"	-3.021828
"514695"	272.950724	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M-3H"	-3.021828
"894565"	90.3120573333333	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-3H"	-3.021828
"12894"	272.950724	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M-2H"	-2.014552
"451728"	409.929724	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M-2H"	-2.014552
"827343"	135.971724	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-2H"	-2.014552
"93169"	546.908724	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M-H"	-1.007276
"527994"	820.866724	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M-H"	-1.007276
"906886"	272.950724	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-H"	-1.007276
"60172"	563.935271	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M-2H+NH4"	16.019271
"500707"	837.893271	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M-2H+NH4"	16.019271
"875347"	289.977271	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-2H+NH4"	16.019271
"44342"	568.890666	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M-2H+Na"	20.974666
"475153"	842.848666	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M-2H+Na"	20.974666
"854047"	294.932666	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-2H+Na"	20.974666
"1622486"	294.932666	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Na-2H"	20.974666
"97924"	290.939063	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M-H+Cl"	33.962126
"538576"	427.918063	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M-H+Cl"	33.962126
"936469"	153.960063	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-H+Cl"	33.962126
"267734"	582.885402	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+Cl"	34.969402
"664167"	856.843402	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+Cl"	34.969402
"1286419"	308.927402	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Cl"	34.969402
"30435"	584.864606	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M-2H+K"	36.948606
"467081"	858.822606	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M-2H+K"	36.948606
"847556"	310.906606	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-2H+K"	36.948606
"1566545"	310.906606	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+K-2H"	36.948606
"953335"	318.956194	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-H+HCOOH"	44.998194
"371549"	592.914201	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+HCOOH-H"	44.998201
"351058"	606.929851	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+Hac-H"	59.013851
"1506463"	332.971851	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Hac-H"	59.013851
"973881"	340.938151	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-H+NaCOOH"	66.980151
"124732"	308.927402	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+2Cl"	69.938804
"565018"	445.906402	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+2Cl"	69.938804
"1033452"	171.948402	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2Cl"	69.938804
"1246835"	352.876885	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Br"	78.918885
"1306366"	354.932872	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Cl+HCOOH"	80.974872
"1324230"	376.914829	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Cl+NaCOOH"	102.956829
"919662"	386.943586	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M-H+CF3COOH"	112.985586
"1296370"	422.920264	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Cl+CF3COOH"	148.962264
"1376720"	238.945324	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H-2H2O"	-35.012676
"1396406"	256.9553	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H-H2O"	-17.0027
"291715"	548.923276	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+H"	1.007276
"691336"	822.881276	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+H"	1.007276
"1366978"	274.965276	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H"	1.007276
"140432"	274.965276	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+2H"	2.014552
"573672"	411.944276	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+2H"	2.014552
"1051589"	137.986276	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2H"	2.014552
"214748"	183.645942666667	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+3H"	3.021828
"658325"	274.965276	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+3H"	3.021828
"1176451"	92.3266093333334	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+3H"	3.021828
"427329"	565.949823	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+NH4"	18.033823
"790512"	839.907823	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+NH4"	18.033823
"1690123"	291.991823	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+NH4"	18.033823
"343868"	283.4785495	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+H+NH4"	19.041099
"736651"	420.4575495	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+H+NH4"	19.041099
"1490107"	146.4995495	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H+NH4"	19.041099
"393234"	570.905218	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+Na"	22.989218
"758843"	844.863218	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+Na"	22.989218
"1605852"	296.947218	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Na"	22.989218
"318076"	285.956247	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+H+Na"	23.996494
"711588"	422.935247	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+H+Na"	23.996494
"1463467"	148.977247	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H+Na"	23.996494
"1056102"	99.6539233333333	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2H+Na"	25.00377
"1257902"	306.991486	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+CH3OH+H"	33.033486
"378910"	586.879158	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+K"	38.963158
"743189"	860.837158	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+K"	38.963158
"1545241"	312.921158	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+K"	38.963158
"303508"	293.943217	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+H+K"	39.970434
"695937"	430.922217	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+H+K"	39.970434
"1446473"	156.964217	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H+K"	39.970434
"247110"	589.949826	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+ACN+H"	42.033826
"1224192"	315.991826	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+ACN+H"	42.033826
"1207350"	158.499551	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+ACN+2H"	43.041102
"198759"	592.88716	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+2Na-H"	44.97116
"639411"	866.84516	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+2Na-H"	44.97116
"1139636"	318.92916	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2Na-H"	44.97116
"176368"	296.947218	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+2Na"	45.978436
"615926"	433.926218	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+2Na"	45.978436
"1117490"	159.968218	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2Na"	45.978436
"1402956"	106.981237333333	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H+2Na"	46.985712
"1435072"	320.970746	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H+HCOOH"	47.012746
"225862"	301.98024	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+3H2O+2H"	56.04448
"1512830"	335.02279	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+IsoProp+H"	61.06479
"413612"	304.934188	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+Na+K"	61.952376
"773514"	441.913188	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+Na+K"	61.952376
"1672032"	167.955188	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Na+K"	61.952376
"263657"	611.931768	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+ACN+Na"	64.015768
"1238920"	337.973768	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+ACN+Na"	64.015768
"1727806"	337.997293	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+NH4+HCOOH"	64.039293
"1193529"	114.308551333333	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+3Na"	68.967654
"1660869"	342.952688	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Na+HCOOH"	68.994688
"164448"	624.83504	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+2K-H"	76.91904
"605104"	898.79304	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+2K-H"	76.91904
"1089617"	350.87704	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2K-H"	76.91904
"144242"	312.921158	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"2M+2K"	77.926316
"584167"	449.900158	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"3M+2K"	77.926316
"1071232"	175.942158	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2K"	77.926316
"1101647"	352.891592	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2K+H"	78.933592
"1339371"	352.979207	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+DMSO+H"	79.021207
"1009724"	357.018376	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2ACN+H"	83.060376
"1527121"	358.012008	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+IsoProp+Na+H"	84.054008
"994298"	179.012826	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+2ACN+2H"	84.067652
"1589896"	358.926628	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+K+HCOOH"	84.968628
"1416773"	388.958138	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+H+CF3COOH"	115.000138
"1162252"	199.526101	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+3ACN+2H"	125.094202
"1710345"	405.984685	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+NH4+CF3COOH"	132.026685
"1641986"	410.94008	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+Na+CF3COOH"	136.98208
"1573262"	426.91402	"C18935"	"Anilazine"	"C9H5Cl3N4"	"273.958"	"M+K+CF3COOH"	152.95602
"813468"	265.8972	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M"	0
"987367"	246.87881	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-H2O-H"	-19.01839
"69775"	176.257524	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M-3H"	-3.021828
"514806"	264.889924	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M-3H"	-3.021828
"894069"	87.625124	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-3H"	-3.021828
"13977"	264.889924	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M-2H"	-2.014552
"455001"	397.838524	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M-2H"	-2.014552
"831342"	131.941324	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-2H"	-2.014552
"93163"	530.787124	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M-H"	-1.007276
"531992"	796.684324	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M-H"	-1.007276
"905903"	264.889924	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-H"	-1.007276
"60527"	547.813671	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M-2H+NH4"	16.019271
"499359"	813.710871	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M-2H+NH4"	16.019271
"875458"	281.916471	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-2H+NH4"	16.019271
"40078"	552.769066	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M-2H+Na"	20.974666
"476357"	818.666266	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M-2H+Na"	20.974666
"853064"	286.871866	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-2H+Na"	20.974666
"1621503"	286.871866	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Na-2H"	20.974666
"100220"	282.878263	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M-H+Cl"	33.962126
"536499"	415.826863	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M-H+Cl"	33.962126
"933299"	149.929663	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-H+Cl"	33.962126
"269666"	566.763802	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+Cl"	34.969402
"667557"	832.661002	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+Cl"	34.969402
"1285440"	300.866602	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Cl"	34.969402
"29819"	568.743006	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M-2H+K"	36.948606
"467191"	834.640206	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M-2H+K"	36.948606
"845357"	302.845806	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-2H+K"	36.948606
"1566291"	302.845806	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+K-2H"	36.948606
"954538"	310.895394	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-H+HCOOH"	44.998194
"372388"	576.792601	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+HCOOH-H"	44.998201
"350075"	590.808251	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+Hac-H"	59.013851
"1505473"	324.911051	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Hac-H"	59.013851
"969733"	332.877351	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-H+NaCOOH"	66.980151
"123019"	300.866602	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+2Cl"	69.938804
"562575"	433.815202	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+2Cl"	69.938804
"1033199"	167.918002	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2Cl"	69.938804
"1247310"	344.816085	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Br"	78.918885
"1307935"	346.872072	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Cl+HCOOH"	80.974872
"1326528"	368.854029	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Cl+NaCOOH"	102.956829
"917587"	378.882786	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M-H+CF3COOH"	112.985586
"1296116"	414.859464	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Cl+CF3COOH"	148.962264
"1375737"	230.884524	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H-2H2O"	-35.012676
"1396516"	248.8945	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H-H2O"	-17.0027
"289638"	532.801676	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+H"	1.007276
"690084"	798.698876	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+H"	1.007276
"1362421"	266.904476	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H"	1.007276
"141149"	266.904476	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+2H"	2.014552
"579614"	399.853076	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+2H"	2.014552
"1051695"	133.955876	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2H"	2.014552
"214858"	178.272076	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+3H"	3.021828
"658800"	266.904476	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+3H"	3.021828
"1175102"	89.639676	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+3H"	3.021828
"429625"	549.828223	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+NH4"	18.033823
"793902"	815.725423	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+NH4"	18.033823
"1689139"	283.931023	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+NH4"	18.033823
"342520"	275.4177495	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+H+NH4"	19.041099
"735304"	408.3663495	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+H+NH4"	19.041099
"1488030"	142.4691495	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H+NH4"	19.041099
"395774"	554.783618	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+Na"	22.989218
"757131"	820.680818	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+Na"	22.989218
"1607055"	288.886418	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Na"	22.989218
"319279"	277.895447	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+H+Na"	23.996494
"712792"	410.844047	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+H+Na"	23.996494
"1464428"	144.946847	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H+Na"	23.996494
"1053664"	96.96699	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2H+Na"	25.00377
"1258742"	298.930686	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+CH3OH+H"	33.033486
"378655"	570.757558	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+K"	38.963158
"743299"	836.654758	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+K"	38.963158
"1545351"	304.860358	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+K"	38.963158
"302528"	285.882417	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+H+K"	39.970434
"696047"	418.831017	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+H+K"	39.970434
"1448771"	152.933817	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H+K"	39.970434
"247220"	573.828226	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+ACN+H"	42.033826
"1222116"	307.931026	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+ACN+H"	42.033826
"1205998"	154.469151	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+ACN+2H"	43.041102
"196680"	576.76556	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+2Na-H"	44.97116
"637333"	842.66276	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+2Na-H"	44.97116
"1138650"	310.86836	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2Na-H"	44.97116
"177572"	288.886418	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+2Na"	45.978436
"618222"	421.835018	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+2Na"	45.978436
"1121729"	155.937818	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2Na"	45.978436
"1406346"	104.294304	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H+2Na"	46.985712
"1435912"	312.909946	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H+HCOOH"	47.012746
"227064"	293.91944	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+3H2O+2H"	56.04448
"1514762"	326.96199	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+IsoProp+H"	61.06479
"411170"	296.873388	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+Na+K"	61.952376
"771436"	429.821988	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+Na+K"	61.952376
"1673236"	163.924788	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Na+K"	61.952376
"262308"	595.810168	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+ACN+Na"	64.015768
"1241099"	329.912968	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+ACN+Na"	64.015768
"1726823"	329.936493	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+NH4+HCOOH"	64.039293
"1192792"	111.621618	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+3Na"	68.967654
"1663166"	334.891888	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Na+HCOOH"	68.994688
"172092"	608.71344	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+2K-H"	76.91904
"605214"	874.61064	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+2K-H"	76.91904
"1093007"	342.81624	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2K-H"	76.91904
"145081"	304.860358	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"2M+2K"	77.926316
"583671"	437.808958	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"3M+2K"	77.926316
"1070251"	171.911758	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2K"	77.926316
"1102367"	344.830792	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2K+H"	78.933592
"1339119"	344.918407	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+DMSO+H"	79.021207
"1009835"	348.957576	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2ACN+H"	83.060376
"1532333"	349.951208	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+IsoProp+Na+H"	84.054008
"997690"	174.982426	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+2ACN+2H"	84.067652
"1590007"	350.865828	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+K+HCOOH"	84.968628
"1416762"	380.897338	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+H+CF3COOH"	115.000138
"1150332"	195.495701	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+3ACN+2H"	125.094202
"1707539"	397.923885	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+NH4+CF3COOH"	132.026685
"1642096"	402.87928	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+Na+CF3COOH"	136.98208
"1573372"	418.85322	"C18936"	"Chlorquinox;5678-Tetrachloroquinoxaline"	"C8H2Cl4N2"	"265.8972"	"M+K+CF3COOH"	152.95602
"802641"	251.0341	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M"	0
"980549"	232.01571	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-H2O-H"	-19.01839
"69885"	166.348790666667	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M-3H"	-3.021828
"517101"	250.026824	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M-3H"	-3.021828
"891622"	82.6707573333333	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-3H"	-3.021828
"12385"	250.026824	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M-2H"	-2.014552
"455112"	375.543874	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M-2H"	-2.014552
"831210"	124.509774	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-2H"	-2.014552
"93156"	501.060924	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M-H"	-1.007276
"530401"	752.095024	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M-H"	-1.007276
"906014"	250.026824	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-H"	-1.007276
"59787"	518.087471	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M-2H+NH4"	16.019271
"498861"	769.121571	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M-2H+NH4"	16.019271
"873382"	267.053371	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-2H+NH4"	16.019271
"40188"	523.042866	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M-2H+Na"	20.974666
"477560"	774.076966	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M-2H+Na"	20.974666
"853174"	272.008766	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-2H+Na"	20.974666
"1622341"	272.008766	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Na-2H"	20.974666
"98147"	268.015163	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M-H+Cl"	33.962126
"537706"	393.532213	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M-H+Cl"	33.962126
"937785"	142.498113	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-H+Cl"	33.962126
"271965"	537.037602	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+Cl"	34.969402
"670950"	788.071702	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+Cl"	34.969402
"1280078"	286.003502	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Cl"	34.969402
"28103"	539.016806	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M-2H+K"	36.948606
"466572"	790.050906	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M-2H+K"	36.948606
"845104"	287.982706	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-2H+K"	36.948606
"1564579"	287.982706	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+K-2H"	36.948606
"951369"	296.032294	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-H+HCOOH"	44.998194
"369583"	547.066401	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+HCOOH-H"	44.998201
"351278"	561.082051	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+Hac-H"	59.013851
"1499022"	310.047951	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Hac-H"	59.013851
"967661"	318.014251	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-H+NaCOOH"	66.980151
"121306"	286.003502	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+2Cl"	69.938804
"559407"	411.520552	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+2Cl"	69.938804
"1029300"	160.486452	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2Cl"	69.938804
"1244869"	329.952985	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Br"	78.918885
"1304206"	332.008972	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Cl+HCOOH"	80.974872
"1322627"	353.990929	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Cl+NaCOOH"	102.956829
"918790"	364.019686	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M-H+CF3COOH"	112.985586
"1295497"	399.996364	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Cl+CF3COOH"	148.962264
"1376939"	216.021424	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H-2H2O"	-35.012676
"1386779"	234.0314	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H-H2O"	-17.0027
"288655"	503.075476	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+H"	1.007276
"690072"	754.109576	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+H"	1.007276
"1363624"	252.041376	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H"	1.007276
"136515"	252.041376	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+2H"	2.014552
"581104"	377.558426	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+2H"	2.014552
"1052370"	126.524326	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2H"	2.014552
"216424"	168.363342666667	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+3H"	3.021828
"659150"	252.041376	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+3H"	3.021828
"1174841"	84.6853093333333	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+3H"	3.021828
"434110"	520.102023	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+NH4"	18.033823
"796198"	771.136123	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+NH4"	18.033823
"1693622"	269.067923	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+NH4"	18.033823
"341899"	260.5546495	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+H+NH4"	19.041099
"733229"	386.0716995	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+H+NH4"	19.041099
"1481580"	135.0375995	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H+NH4"	19.041099
"395883"	525.057418	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+Na"	22.989218
"756149"	776.091518	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+Na"	22.989218
"1606440"	274.023318	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Na"	22.989218
"317204"	263.032347	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+H+Na"	23.996494
"710354"	388.549397	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+H+Na"	23.996494
"1465634"	137.515297	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H+Na"	23.996494
"1056693"	92.0126233333333	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2H+Na"	25.00377
"1264932"	284.067586	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+CH3OH+H"	33.033486
"378766"	541.031358	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+K"	38.963158
"742316"	792.065458	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+K"	38.963158
"1545462"	289.997258	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+K"	38.963158
"301911"	271.019317	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+H+K"	39.970434
"696157"	396.536367	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+H+K"	39.970434
"1453256"	145.502267	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H+K"	39.970434
"242958"	544.102026	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+ACN+H"	42.033826
"1220040"	293.067926	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+ACN+H"	42.033826
"1207202"	147.037601	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+ACN+2H"	43.041102
"197883"	547.03936	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+2Na-H"	44.97116
"641818"	798.07346	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+2Na-H"	44.97116
"1143866"	296.00526	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2Na-H"	44.97116
"178775"	274.023318	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+2Na"	45.978436
"621977"	399.540368	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+2Na"	45.978436
"1122569"	148.506268	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2Na"	45.978436
"1407550"	99.3399373333333	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H+2Na"	46.985712
"1440031"	298.046846	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H+HCOOH"	47.012746
"231186"	279.05634	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+3H2O+2H"	56.04448
"1515965"	312.09889	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+IsoProp+H"	61.06479
"414923"	282.010288	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+Na+K"	61.952376
"774460"	407.527338	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+Na+K"	61.952376
"1673346"	156.493238	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Na+K"	61.952376
"257679"	566.083968	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+ACN+Na"	64.015768
"1240848"	315.049868	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+ACN+Na"	64.015768
"1725477"	315.073393	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+NH4+HCOOH"	64.039293
"1192899"	106.667251333333	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+3Na"	68.967654
"1663642"	320.028788	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Na+HCOOH"	68.994688
"171110"	578.98724	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+2K-H"	76.91904
"612008"	830.02134	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+2K-H"	76.91904
"1093117"	327.95314	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2K-H"	76.91904
"145561"	289.997258	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"2M+2K"	77.926316
"594963"	415.514308	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"3M+2K"	77.926316
"1074009"	164.480208	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2K"	77.926316
"1106124"	329.967692	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2K+H"	78.933592
"1347977"	330.055307	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+DMSO+H"	79.021207
"1015412"	334.094476	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2ACN+H"	83.060376
"1534633"	335.088108	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+IsoProp+Na+H"	84.054008
"996707"	167.550876	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+2ACN+2H"	84.067652
"1591209"	336.002728	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+K+HCOOH"	84.968628
"1416870"	366.034238	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+H+CF3COOH"	115.000138
"1147889"	188.064151	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+3ACN+2H"	125.094202
"1702179"	383.060785	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+NH4+CF3COOH"	132.026685
"1642206"	388.01618	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+Na+CF3COOH"	136.98208
"1573482"	403.99012	"C18937"	"Fenaminosulf;para-Dimethylaminoazobenzenediazo sodium sulfonate"	"C8H10N3O3SNa"	"251.0341"	"M+K+CF3COOH"	152.95602
"803847"	281.0899	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M"	0
"977380"	262.07151	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-H2O-H"	-19.01839
"69995"	186.385990666667	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M-3H"	-3.021828
"515025"	280.082624	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M-3H"	-3.021828
"890639"	92.6893573333333	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-3H"	-3.021828
"11402"	280.082624	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M-2H"	-2.014552
"455561"	420.627574	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M-2H"	-2.014552
"831684"	139.537674	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-2H"	-2.014552
"93012"	561.172524	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M-H"	-1.007276
"533835"	842.262424	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M-H"	-1.007276
"905031"	280.082624	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-H"	-1.007276
"59411"	578.199071	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M-2H+NH4"	16.019271
"500064"	859.288971	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M-2H+NH4"	16.019271
"873492"	297.109171	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-2H+NH4"	16.019271
"37016"	583.154466	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M-2H+Na"	20.974666
"475482"	864.244366	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M-2H+Na"	20.974666
"853284"	302.064566	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-2H+Na"	20.974666
"1621724"	302.064566	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Na-2H"	20.974666
"98253"	298.070963	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M-H+Cl"	33.962126
"537816"	438.615913	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M-H+Cl"	33.962126
"938988"	157.526013	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-H+Cl"	33.962126
"272075"	597.149202	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+Cl"	34.969402
"667778"	878.239102	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+Cl"	34.969402
"1281282"	316.059302	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Cl"	34.969402
"28213"	599.128406	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M-2H+K"	36.948606
"468869"	880.218306	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M-2H+K"	36.948606
"847400"	318.038506	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-2H+K"	36.948606
"1565782"	318.038506	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+K-2H"	36.948606
"953665"	326.088094	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-H+HCOOH"	44.998194
"367506"	607.178001	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+HCOOH-H"	44.998201
"348108"	621.193651	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+Hac-H"	59.013851
"1500225"	340.103751	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Hac-H"	59.013851
"968864"	348.070051	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-H+NaCOOH"	66.980151
"121417"	316.059302	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+2Cl"	69.938804
"557332"	456.604252	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+2Cl"	69.938804
"1030504"	175.514352	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2Cl"	69.938804
"1244616"	360.008785	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Br"	78.918885
"1304197"	362.064772	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Cl+HCOOH"	80.974872
"1322737"	384.046729	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Cl+NaCOOH"	102.956829
"915620"	394.075486	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M-H+CF3COOH"	112.985586
"1292691"	430.052164	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Cl+CF3COOH"	148.962264
"1373768"	246.077224	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H-2H2O"	-35.012676
"1384337"	264.0872	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H-H2O"	-17.0027
"292775"	563.187076	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+H"	1.007276
"690546"	844.276976	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+H"	1.007276
"1363370"	282.097176	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H"	1.007276
"131516"	282.097176	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+2H"	2.014552
"578739"	422.642126	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+2H"	2.014552
"1049361"	141.552226	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2H"	2.014552
"215806"	188.400542666667	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+3H"	3.021828
"657923"	282.097176	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+3H"	3.021828
"1174587"	94.7039093333333	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+3H"	3.021828
"434220"	580.213623	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+NH4"	18.033823
"797403"	861.303523	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+NH4"	18.033823
"1692640"	299.123723	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+NH4"	18.033823
"343102"	290.6104495	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+H+NH4"	19.041099
"732246"	431.1553995	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+H+NH4"	19.041099
"1487159"	150.0654995	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H+NH4"	19.041099
"394901"	585.169018	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+Na"	22.989218
"755288"	866.258918	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+Na"	22.989218
"1604726"	304.079118	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Na"	22.989218
"318408"	293.088147	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+H+Na"	23.996494
"713017"	433.633097	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+H+Na"	23.996494
"1469024"	152.543197	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H+Na"	23.996494
"1061177"	102.031223333333	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2H+Na"	25.00377
"1262856"	314.123386	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+CH3OH+H"	33.033486
"379605"	601.142958	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+K"	38.963158
"742426"	882.232858	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+K"	38.963158
"1544479"	320.053058	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+K"	38.963158
"303113"	301.075117	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+H+K"	39.970434
"694442"	441.620067	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+H+K"	39.970434
"1455552"	160.530167	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H+K"	39.970434
"238689"	604.213626	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+ACN+H"	42.033826
"1217964"	323.123726	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+ACN+H"	42.033826
"1205126"	162.065501	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+ACN+2H"	43.041102
"194714"	607.15096	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+2Na-H"	44.97116
"635367"	888.24086	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+2Na-H"	44.97116
"1138873"	326.06106	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2Na-H"	44.97116
"178882"	304.079118	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+2Na"	45.978436
"619535"	444.624068	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+2Na"	45.978436
"1119762"	163.534168	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2Na"	45.978436
"1406567"	109.358537333333	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H+2Na"	46.985712
"1439775"	328.102646	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H+HCOOH"	47.012746
"230564"	309.11214	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+3H2O+2H"	56.04448
"1514254"	342.15469	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+IsoProp+H"	61.06479
"413941"	312.066088	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+Na+K"	61.952376
"773844"	452.611038	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+Na+K"	61.952376
"1673456"	171.521138	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Na+K"	61.952376
"256696"	626.195568	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+ACN+Na"	64.015768
"1241320"	345.105668	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+ACN+Na"	64.015768
"1725587"	345.129193	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+NH4+HCOOH"	64.039293
"1193861"	116.685851333333	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+3Na"	68.967654
"1664847"	350.084588	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Na+HCOOH"	68.994688
"169156"	639.09884	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+2K-H"	76.91904
"611995"	920.18874	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+2K-H"	76.91904
"1093227"	358.00894	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2K-H"	76.91904
"152233"	320.053058	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"2M+2K"	77.926316
"595073"	460.598008	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"3M+2K"	77.926316
"1075212"	179.508108	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2K"	77.926316
"1106234"	360.023492	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2K+H"	78.933592
"1348087"	360.111107	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+DMSO+H"	79.021207
"1015522"	364.150276	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2ACN+H"	83.060376
"1534743"	365.143908	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+IsoProp+Na+H"	84.054008
"997910"	182.578776	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+2ACN+2H"	84.067652
"1589133"	366.058528	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+K+HCOOH"	84.968628
"1415887"	396.090038	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+H+CF3COOH"	115.000138
"1150551"	203.092051	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+3ACN+2H"	125.094202
"1704476"	413.116585	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+NH4+CF3COOH"	132.026685
"1642316"	418.07198	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+Na+CF3COOH"	136.98208
"1573592"	434.04592	"C18938"	"Fenitropan"	"C13H15NO6"	"281.0899"	"M+K+CF3COOH"	152.95602
"803957"	379.1296	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M"	0
"980770"	360.11121	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-H2O-H"	-19.01839
"73385"	251.745790666667	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M-3H"	-3.021828
"515135"	378.122324	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M-3H"	-3.021828
"889656"	125.369257333333	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-3H"	-3.021828
"13335"	378.122324	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M-2H"	-2.014552
"455331"	567.687124	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M-2H"	-2.014552
"832650"	188.557524	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-2H"	-2.014552
"93123"	757.251924	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M-H"	-1.007276
"533175"	1136.381524	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M-H"	-1.007276
"908421"	378.122324	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-H"	-1.007276
"59519"	774.278471	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M-2H+NH4"	16.019271
"501267"	1153.408071	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M-2H+NH4"	16.019271
"873602"	395.148871	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-2H+NH4"	16.019271
"37127"	779.233866	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M-2H+Na"	20.974666
"476686"	1158.363466	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M-2H+Na"	20.974666
"852301"	400.104266	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-2H+Na"	20.974666
"1622928"	400.104266	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Na-2H"	20.974666
"98364"	396.110663	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M-H+Cl"	33.962126
"536830"	585.675463	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M-H+Cl"	33.962126
"940920"	206.545863	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-H+Cl"	33.962126
"274372"	793.228602	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+Cl"	34.969402
"671168"	1172.358202	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+Cl"	34.969402
"1280298"	414.099002	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Cl"	34.969402
"28324"	795.207806	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M-2H+K"	36.948606
"466793"	1174.337406	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M-2H+K"	36.948606
"845688"	416.078206	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-2H+K"	36.948606
"1565892"	416.078206	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+K-2H"	36.948606
"953775"	424.127794	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-H+HCOOH"	44.998194
"367616"	803.257401	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+HCOOH-H"	44.998201
"347489"	817.273051	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+Hac-H"	59.013851
"1501063"	438.143451	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Hac-H"	59.013851
"965690"	446.109751	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-H+NaCOOH"	66.980151
"117878"	414.099002	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+2Cl"	69.938804
"556708"	603.663802	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+2Cl"	69.938804
"1027697"	224.534202	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2Cl"	69.938804
"1251284"	458.048485	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Br"	78.918885
"1310453"	460.104472	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Cl+HCOOH"	80.974872
"1323210"	482.086429	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Cl+NaCOOH"	102.956829
"916093"	492.115186	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M-H+CF3COOH"	112.985586
"1296810"	528.091864	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Cl+CF3COOH"	148.962264
"1372786"	344.116924	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H-2H2O"	-35.012676
"1384811"	362.1269	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H-H2O"	-17.0027
"292156"	759.266476	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+H"	1.007276
"683484"	1138.396076	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+H"	1.007276
"1356549"	380.136876	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H"	1.007276
"128344"	380.136876	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+2H"	2.014552
"580186"	569.701676	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+2H"	2.014552
"1049835"	190.572076	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2H"	2.014552
"211176"	253.760342666667	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+3H"	3.021828
"659125"	380.136876	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+3H"	3.021828
"1173239"	127.383809333333	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+3H"	3.021828
"433237"	776.293023	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+NH4"	18.033823
"797512"	1155.422623	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+NH4"	18.033823
"1693842"	397.163423	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+NH4"	18.033823
"339932"	388.6501495	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+H+NH4"	19.041099
"731261"	578.2149495	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+H+NH4"	19.041099
"1483989"	199.0853495	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H+NH4"	19.041099
"394038"	781.248418	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+Na"	22.989218
"758195"	1160.378018	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+Na"	22.989218
"1607384"	402.118818	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Na"	22.989218
"318519"	391.127847	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+H+Na"	23.996494
"714222"	580.692647	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+H+Na"	23.996494
"1466947"	201.563047	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H+Na"	23.996494
"1060194"	134.711123333333	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2H+Na"	25.00377
"1262237"	412.163086	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+CH3OH+H"	33.033486
"383730"	797.222358	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+K"	38.963158
"742170"	1176.351958	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+K"	38.963158
"1544590"	418.092758	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+K"	38.963158
"303952"	399.114817	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+H+K"	39.970434
"692729"	588.679617	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+H+K"	39.970434
"1452382"	209.550017	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H+K"	39.970434
"240986"	800.293026	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+ACN+H"	42.033826
"1221353"	421.163426	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+ACN+H"	42.033826
"1204142"	211.085351	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+ACN+2H"	43.041102
"194825"	803.23036	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+2Na-H"	44.97116
"633291"	1182.35996	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+2Na-H"	44.97116
"1138982"	424.10076	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2Na-H"	44.97116
"178993"	402.118818	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+2Na"	45.978436
"620739"	591.683618	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+2Na"	45.978436
"1122059"	212.554018	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2Na"	45.978436
"1405585"	142.038437333333	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H+2Na"	46.985712
"1439159"	426.142346	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H+HCOOH"	47.012746
"228854"	407.15184	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+3H2O+2H"	56.04448
"1516552"	440.19439	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+IsoProp+H"	61.06479
"414052"	410.105788	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+Na+K"	61.952376
"775047"	599.670588	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+Na+K"	61.952376
"1673566"	220.540988	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Na+K"	61.952376
"256806"	822.274968	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+ACN+Na"	64.015768
"1241030"	443.145368	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+ACN+Na"	64.015768
"1727766"	443.168893	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+NH4+HCOOH"	64.039293
"1193728"	149.365751333333	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+3Na"	68.967654
"1665322"	448.124288	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Na+HCOOH"	68.994688
"172182"	835.17824	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+2K-H"	76.91904
"612354"	1214.30784	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+2K-H"	76.91904
"1097711"	456.04864	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2K-H"	76.91904
"154529"	418.092758	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"2M+2K"	77.926316
"592998"	607.657558	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"3M+2K"	77.926316
"1077510"	228.527958	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2K"	77.926316
"1105250"	458.063192	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2K+H"	78.933592
"1348197"	458.150807	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+DMSO+H"	79.021207
"1020373"	462.189976	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2ACN+H"	83.060376
"1532666"	463.183608	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+IsoProp+Na+H"	84.054008
"996927"	231.598626	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+2ACN+2H"	84.067652
"1595804"	464.098228	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+K+HCOOH"	84.968628
"1417092"	494.129738	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+H+CF3COOH"	115.000138
"1150661"	252.111901	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+3ACN+2H"	125.094202
"1704586"	511.156285	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+NH4+CF3COOH"	132.026685
"1642426"	516.11168	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+Na+CF3COOH"	136.98208
"1573702"	532.08562	"C18939"	"Fluotrimazole"	"C22H16F3N3"	"379.1296"	"M+K+CF3COOH"	152.95602
"801880"	368.3403	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M"	0
"977600"	349.32191	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-H2O-H"	-19.01839
"73495"	244.552924	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M-3H"	-3.021828
"515245"	367.333024	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M-3H"	-3.021828
"890859"	121.772824	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-3H"	-3.021828
"13082"	367.333024	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M-2H"	-2.014552
"454104"	551.503174	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M-2H"	-2.014552
"832193"	183.162874	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-2H"	-2.014552
"93233"	735.673324	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M-H"	-1.007276
"532192"	1104.013624	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M-H"	-1.007276
"909624"	367.333024	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-H"	-1.007276
"58536"	752.699871	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M-2H+NH4"	16.019271
"497006"	1121.040171	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M-2H+NH4"	16.019271
"875899"	384.359571	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-2H+NH4"	16.019271
"41612"	757.655266	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M-2H+Na"	20.974666
"475703"	1125.995566	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M-2H+Na"	20.974666
"853505"	389.314966	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-2H+Na"	20.974666
"1623035"	389.314966	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Na-2H"	20.974666
"96650"	385.321363	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M-H+Cl"	33.962126
"536210"	569.491513	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M-H+Cl"	33.962126
"939206"	201.151213	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-H+Cl"	33.962126
"274481"	771.650002	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+Cl"	34.969402
"664717"	1139.990302	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+Cl"	34.969402
"1280408"	403.309702	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Cl"	34.969402
"28798"	773.629206	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M-2H+K"	36.948606
"467996"	1141.969506	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M-2H+K"	36.948606
"845798"	405.288906	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-2H+K"	36.948606
"1566002"	405.288906	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+K-2H"	36.948606
"953885"	413.338494	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-H+HCOOH"	44.998194
"371006"	781.678801	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+HCOOH-H"	44.998201
"355982"	795.694451	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+Hac-H"	59.013851
"1502632"	427.354151	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Hac-H"	59.013851
"966895"	435.320451	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-H+NaCOOH"	66.980151
"121635"	403.309702	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+2Cl"	69.938804
"559740"	587.479852	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+2Cl"	69.938804
"1031818"	219.139552	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2Cl"	69.938804
"1252487"	447.259185	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Br"	78.918885
"1316029"	449.315172	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Cl+HCOOH"	80.974872
"1325871"	471.297129	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Cl+NaCOOH"	102.956829
"916932"	481.325886	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M-H+CF3COOH"	112.985586
"1296919"	517.302564	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Cl+CF3COOH"	148.962264
"1378362"	333.327624	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H-2H2O"	-35.012676
"1386015"	351.3376	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H-H2O"	-17.0027
"292995"	737.687876	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+H"	1.007276
"684685"	1106.028176	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+H"	1.007276
"1358846"	369.347576	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H"	1.007276
"128818"	369.347576	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+2H"	2.014552
"579570"	553.517726	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+2H"	2.014552
"1050313"	185.177426	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2H"	2.014552
"214932"	246.567476	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+3H"	3.021828
"658508"	369.347576	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+3H"	3.021828
"1173349"	123.787376	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+3H"	3.021828
"433347"	754.714423	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+NH4"	18.033823
"796530"	1123.054723	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+NH4"	18.033823
"1691767"	386.374123	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+NH4"	18.033823
"340044"	377.8608495	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+H+NH4"	19.041099
"733558"	562.0309995	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+H+NH4"	19.041099
"1484099"	193.6906995	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H+NH4"	19.041099
"398405"	759.669818	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+Na"	22.989218
"758306"	1128.010118	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+Na"	22.989218
"1609685"	391.329518	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Na"	22.989218
"321910"	380.338547	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+H+Na"	23.996494
"716519"	564.508697	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+H+Na"	23.996494
"1471067"	196.168397	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H+Na"	23.996494
"1060304"	131.11469	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2H+Na"	25.00377
"1267451"	401.373786	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+CH3OH+H"	33.033486
"387122"	775.643758	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+K"	38.963158
"742645"	1143.984058	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+K"	38.963158
"1542148"	407.303458	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+K"	38.963158
"301876"	388.325517	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+H+K"	39.970434
"692231"	572.495667	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+H+K"	39.970434
"1447026"	204.155367	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H+K"	39.970434
"237815"	778.714426	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+ACN+H"	42.033826
"1221463"	410.374126	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+ACN+H"	42.033826
"1200971"	205.690701	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+ACN+2H"	43.041102
"193841"	781.65176	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+2Na-H"	44.97116
"633400"	1149.99206	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+2Na-H"	44.97116
"1138002"	413.31146	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2Na-H"	44.97116
"176916"	391.329518	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+2Na"	45.978436
"619757"	575.499668	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+2Na"	45.978436
"1122170"	207.159368	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2Na"	45.978436
"1404599"	138.442004	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H+2Na"	46.985712
"1437808"	415.353046	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H+HCOOH"	47.012746
"229328"	396.36254	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+3H2O+2H"	56.04448
"1518849"	429.40509	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+IsoProp+H"	61.06479
"421453"	399.316488	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+Na+K"	61.952376
"780990"	583.486638	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+Na+K"	61.952376
"1668208"	215.146338	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Na+K"	61.952376
"256916"	800.696368	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+ACN+Na"	64.015768
"1241253"	432.356068	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+ACN+Na"	64.015768
"1725807"	432.379593	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+NH4+HCOOH"	64.039293
"1193595"	145.769318	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+3Na"	68.967654
"1664336"	437.334988	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Na+HCOOH"	68.994688
"172662"	813.59964	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+2K-H"	76.91904
"612664"	1181.93994	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+2K-H"	76.91904
"1097700"	445.25934	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2K-H"	76.91904
"154639"	407.303458	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"2M+2K"	77.926316
"596145"	591.473608	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"3M+2K"	77.926316
"1076527"	223.133308	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2K"	77.926316
"1105361"	447.273892	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2K+H"	78.933592
"1348307"	447.361507	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+DMSO+H"	79.021207
"1017932"	451.400676	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2ACN+H"	83.060376
"1532776"	452.394308	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+IsoProp+Na+H"	84.054008
"998131"	226.203976	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+2ACN+2H"	84.067652
"1599194"	453.308928	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+K+HCOOH"	84.968628
"1423762"	483.340438	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+H+CF3COOH"	115.000138
"1150771"	246.717251	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+3ACN+2H"	125.094202
"1704696"	500.366985	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+NH4+CF3COOH"	132.026685
"1642536"	505.32238	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+Na+CF3COOH"	136.98208
"1573812"	521.29632	"C18940"	"Glyodin;Glyodin acetate"	"C20H40N2C2H4O2"	"368.3403"	"M+K+CF3COOH"	152.95602
"801865"	310.9349	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M"	0
"977710"	291.91651	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-H2O-H"	-19.01839
"73605"	206.282657333333	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M-3H"	-3.021828
"515355"	309.927624	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M-3H"	-3.021828
"890969"	102.637690666667	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-3H"	-3.021828
"12825"	309.927624	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M-2H"	-2.014552
"453486"	465.395074	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M-2H"	-2.014552
"830196"	154.460174	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-2H"	-2.014552
"93222"	620.862524	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M-H"	-1.007276
"528293"	931.797424	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M-H"	-1.007276
"904268"	309.927624	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-H"	-1.007276
"55363"	637.889071	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M-2H+NH4"	16.019271
"493832"	948.823971	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M-2H+NH4"	16.019271
"869447"	326.954171	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-2H+NH4"	16.019271
"34066"	642.844466	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M-2H+Na"	20.974666
"474717"	953.779366	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M-2H+Na"	20.974666
"849236"	331.909566	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-2H+Na"	20.974666
"1618658"	331.909566	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Na-2H"	20.974666
"94695"	327.915963	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M-H+Cl"	33.962126
"534851"	483.383413	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M-H+Cl"	33.962126
"930566"	172.448513	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-H+Cl"	33.962126
"271309"	656.839202	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+Cl"	34.969402
"664827"	967.774102	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+Cl"	34.969402
"1281611"	345.904302	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Cl"	34.969402
"21983"	658.818406	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M-2H+K"	36.948606
"456478"	969.753306	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M-2H+K"	36.948606
"841531"	347.883506	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-2H+K"	36.948606
"1562832"	347.883506	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+K-2H"	36.948606
"949620"	355.933094	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-H+HCOOH"	44.998194
"364920"	666.868001	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+HCOOH-H"	44.998201
"349531"	680.883651	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+Hac-H"	59.013851
"1496178"	369.948751	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Hac-H"	59.013851
"962629"	377.915051	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-H+NaCOOH"	66.980151
"119189"	345.904302	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+2Cl"	69.938804
"556563"	501.371752	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+2Cl"	69.938804
"1031923"	190.436852	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2Cl"	69.938804
"1243484"	389.853785	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Br"	78.918885
"1307391"	391.909772	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Cl+HCOOH"	80.974872
"1327074"	413.891729	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Cl+NaCOOH"	102.956829
"916312"	423.920486	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M-H+CF3COOH"	112.985586
"1292655"	459.897164	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Cl+CF3COOH"	148.962264
"1376285"	275.922224	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H-2H2O"	-35.012676
"1385032"	293.9322	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H-H2O"	-17.0027
"294198"	622.877076	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+H"	1.007276
"683702"	933.811976	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+H"	1.007276
"1355676"	311.942176	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H"	1.007276
"129656"	311.942176	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+2H"	2.014552
"579801"	467.409626	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+2H"	2.014552
"1049938"	156.474726	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2H"	2.014552
"215771"	208.297209333333	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+3H"	3.021828
"657523"	311.942176	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+3H"	3.021828
"1173459"	104.652242666667	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+3H"	3.021828
"434550"	639.903623	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+NH4"	18.033823
"797733"	950.838523	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+NH4"	18.033823
"1692971"	328.968723	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+NH4"	18.033823
"339061"	320.4554495	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+H+NH4"	19.041099
"732575"	475.9228995	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+H+NH4"	19.041099
"1485302"	164.9879995	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H+NH4"	19.041099
"400703"	644.859018	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+Na"	22.989218
"758416"	955.793918	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+Na"	22.989218
"1607608"	333.924118	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Na"	22.989218
"316914"	322.933147	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+H+Na"	23.996494
"710429"	478.400597	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+H+Na"	23.996494
"1469355"	167.465697	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H+Na"	23.996494
"1059320"	111.979556666667	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2H+Na"	25.00377
"1264281"	343.968386	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+CH3OH+H"	33.033486
"386134"	660.832958	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+K"	38.963158
"739475"	971.767858	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+K"	38.963158
"1539986"	349.898058	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+K"	38.963158
"300892"	330.920117	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+H+K"	39.970434
"691449"	486.387567	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+H+K"	39.970434
"1447500"	175.452667	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H+K"	39.970434
"239019"	663.903626	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+ACN+H"	42.033826
"1212825"	352.968726	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+ACN+H"	42.033826
"1197801"	176.988001	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+ACN+2H"	43.041102
"192859"	666.84096	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+2Na-H"	44.97116
"630231"	977.77586	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+2Na-H"	44.97116
"1133981"	355.90606	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2Na-H"	44.97116
"173988"	333.924118	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+2Na"	45.978436
"614400"	489.391568	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+2Na"	45.978436
"1118999"	178.456668	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2Na"	45.978436
"1400335"	119.306870666667	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H+2Na"	46.985712
"1434638"	357.947646	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H+HCOOH"	47.012746
"226522"	338.95714	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+3H2O+2H"	56.04448
"1509603"	371.99969	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+IsoProp+H"	61.06479
"415365"	341.911088	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+Na+K"	61.952376
"773081"	497.378538	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+Na+K"	61.952376
"1667225"	186.443638	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Na+K"	61.952376
"257026"	685.885568	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+ACN+Na"	64.015768
"1239707"	374.950668	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+ACN+Na"	64.015768
"1725553"	374.974193	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+NH4+HCOOH"	64.039293
"1193463"	126.634184666667	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+3Na"	68.967654
"1664932"	379.929588	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Na+HCOOH"	68.994688
"168392"	698.78884	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+2K-H"	76.91904
"612613"	1009.72374	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+2K-H"	76.91904
"1095744"	387.85394	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2K-H"	76.91904
"150376"	349.898058	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"2M+2K"	77.926316
"594310"	505.365508	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"3M+2K"	77.926316
"1082103"	194.430608	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2K"	77.926316
"1112033"	389.868492	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2K+H"	78.933592
"1345137"	389.956107	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+DMSO+H"	79.021207
"1013668"	393.995276	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2ACN+H"	83.060376
"1532886"	394.988908	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+IsoProp+Na+H"	84.054008
"998241"	197.501276	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+2ACN+2H"	84.067652
"1596024"	395.903528	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+K+HCOOH"	84.968628
"1423872"	425.935038	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+H+CF3COOH"	115.000138
"1154159"	218.014551	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+3ACN+2H"	125.094202
"1704806"	442.961585	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+NH4+CF3COOH"	132.026685
"1642646"	447.91698	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+Na+CF3COOH"	136.98208
"1573922"	463.89092	"C18941"	"Halacrinate"	"C12H7BrClNO2"	"310.9349"	"M+K+CF3COOH"	152.95602
"810848"	308.0943	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M"	0
"985475"	289.07591	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-H2O-H"	-19.01839
"75905"	204.388924	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M-3H"	-3.021828
"516560"	307.087024	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M-3H"	-3.021828
"893268"	101.690824	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-3H"	-3.021828
"14887"	307.087024	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M-2H"	-2.014552
"454569"	461.134174	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M-2H"	-2.014552
"831400"	153.039874	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-2H"	-2.014552
"92358"	615.181324	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M-H"	-1.007276
"529132"	923.275624	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M-H"	-1.007276
"904378"	307.087024	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-H"	-1.007276
"58752"	632.207871	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M-2H+NH4"	16.019271
"495036"	940.302171	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M-2H+NH4"	16.019271
"870649"	324.113571	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-2H+NH4"	16.019271
"35267"	637.163266	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M-2H+Na"	20.974666
"474827"	945.257566	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M-2H+Na"	20.974666
"849347"	329.068966	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-2H+Na"	20.974666
"1618958"	329.068966	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Na-2H"	20.974666
"95048"	325.075363	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M-H+Cl"	33.962126
"535086"	479.122513	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M-H+Cl"	33.962126
"930676"	171.028213	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-H+Cl"	33.962126
"270326"	651.158002	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+Cl"	34.969402
"666030"	959.252302	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+Cl"	34.969402
"1282450"	343.063702	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Cl"	34.969402
"22094"	653.137206	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M-2H+K"	36.948606
"458370"	961.231506	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M-2H+K"	36.948606
"835081"	345.042906	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-2H+K"	36.948606
"1564035"	345.042906	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+K-2H"	36.948606
"947543"	353.092494	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-H+HCOOH"	44.998194
"366123"	661.186801	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+HCOOH-H"	44.998201
"349275"	675.202451	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+Hac-H"	59.013851
"1495558"	367.108151	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Hac-H"	59.013851
"963103"	375.074451	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-H+NaCOOH"	66.980151
"113831"	343.063702	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+2Cl"	69.938804
"556673"	497.110852	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+2Cl"	69.938804
"1032033"	189.016552	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2Cl"	69.938804
"1244686"	387.013185	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Br"	78.918885
"1308229"	389.069172	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Cl+HCOOH"	80.974872
"1326091"	411.051129	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Cl+NaCOOH"	102.956829
"915329"	421.079886	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M-H+CF3COOH"	112.985586
"1292765"	457.056564	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Cl+CF3COOH"	148.962264
"1375302"	273.081624	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H-2H2O"	-35.012676
"1386235"	291.0916	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H-H2O"	-17.0027
"295037"	617.195876	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+H"	1.007276
"682719"	925.290176	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+H"	1.007276
"1357972"	309.101576	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H"	1.007276
"130130"	309.101576	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+2H"	2.014552
"568597"	463.148726	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+2H"	2.014552
"1050530"	155.054426	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2H"	2.014552
"216973"	206.403476	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+3H"	3.021828
"658972"	309.101576	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+3H"	3.021828
"1174662"	103.705376	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+3H"	3.021828
"435753"	634.222423	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+NH4"	18.033823
"800153"	942.316723	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+NH4"	18.033823
"1693080"	326.128123	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+NH4"	18.033823
"342450"	317.6148495	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+H+NH4"	19.041099
"732686"	471.6619995	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+H+NH4"	19.041099
"1487599"	163.5676995	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H+NH4"	19.041099
"399720"	639.177818	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+Na"	22.989218
"759619"	947.272118	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+Na"	22.989218
"1608811"	331.083518	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Na"	22.989218
"317387"	320.092547	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+H+Na"	23.996494
"710902"	474.139697	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+H+Na"	23.996494
"1470558"	166.045397	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H+Na"	23.996494
"1058337"	111.03269	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2H+Na"	25.00377
"1265484"	341.127786	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+CH3OH+H"	33.033486
"382964"	655.151758	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+K"	38.963158
"742139"	963.246058	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+K"	38.963158
"1540910"	347.057458	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+K"	38.963158
"302462"	328.079517	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+H+K"	39.970434
"695613"	482.126667	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+H+K"	39.970434
"1447974"	174.032367	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H+K"	39.970434
"240223"	658.222426	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+ACN+H"	42.033826
"1210381"	350.128126	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+ACN+H"	42.033826
"1196818"	175.567701	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+ACN+2H"	43.041102
"195156"	661.15976	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+2Na-H"	44.97116
"633621"	969.25406	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+2Na-H"	44.97116
"1137130"	353.06546	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2Na-H"	44.97116
"174343"	331.083518	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+2Na"	45.978436
"616696"	485.130668	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+2Na"	45.978436
"1119111"	177.036368	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2Na"	45.978436
"1401539"	118.360004	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H+2Na"	46.985712
"1435842"	355.107046	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H+HCOOH"	47.012746
"227725"	336.11654	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+3H2O+2H"	56.04448
"1510322"	369.15909	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+IsoProp+H"	61.06479
"414381"	339.070488	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+Na+K"	61.952376
"770516"	493.117638	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+Na+K"	61.952376
"1667335"	185.023338	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Na+K"	61.952376
"254950"	680.204368	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+ACN+Na"	64.015768
"1240915"	372.110068	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+ACN+Na"	64.015768
"1725663"	372.133593	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+NH4+HCOOH"	64.039293
"1193213"	125.687318	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+3Na"	68.967654
"1665164"	377.088988	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Na+HCOOH"	68.994688
"167408"	693.10764	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+2K-H"	76.91904
"609156"	1001.20194	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+2K-H"	76.91904
"1098041"	385.01334	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2K-H"	76.91904
"156322"	347.057458	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"2M+2K"	77.926316
"595515"	501.104608	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"3M+2K"	77.926316
"1076747"	193.010308	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2K"	77.926316
"1112143"	387.027892	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2K+H"	78.933592
"1345247"	387.115507	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+DMSO+H"	79.021207
"1015965"	391.154676	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2ACN+H"	83.060376
"1535183"	392.148308	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+IsoProp+Na+H"	84.054008
"1001631"	196.080976	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+2ACN+2H"	84.067652
"1592854"	393.062928	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+K+HCOOH"	84.968628
"1420702"	423.094438	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+H+CF3COOH"	115.000138
"1154269"	216.594251	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+3ACN+2H"	125.094202
"1702725"	440.120985	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+NH4+CF3COOH"	132.026685
"1634612"	445.07638	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+Na+CF3COOH"	136.98208
"1574032"	461.05032	"C18942"	"Mecarbinzid"	"C13H16N4O3S"	"308.0943"	"M+K+CF3COOH"	152.95602
"810958"	190.114	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M"	0
"989597"	171.09561	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-H2O-H"	-19.01839
"73829"	125.735390666667	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M-3H"	-3.021828
"518299"	189.106724	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M-3H"	-3.021828
"892285"	62.3640573333333	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-3H"	-3.021828
"13048"	189.106724	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M-2H"	-2.014552
"454798"	284.163724	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M-2H"	-2.014552
"831385"	94.049724	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-2H"	-2.014552
"92956"	379.220724	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M-H"	-1.007276
"527785"	569.334724	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M-H"	-1.007276
"904488"	189.106724	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-H"	-1.007276
"58863"	396.247271	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M-2H+NH4"	16.019271
"499513"	586.361271	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M-2H+NH4"	16.019271
"875131"	206.133271	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-2H+NH4"	16.019271
"36470"	401.202666	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M-2H+Na"	20.974666
"477122"	591.316666	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M-2H+Na"	20.974666
"850066"	211.088666	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-2H+Na"	20.974666
"1621177"	211.088666	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Na-2H"	20.974666
"96251"	207.095063	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M-H+Cl"	33.962126
"535321"	302.152063	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M-H+Cl"	33.962126
"935161"	112.038063	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-H+Cl"	33.962126
"270435"	415.197402	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+Cl"	34.969402
"666140"	605.311402	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+Cl"	34.969402
"1283653"	225.083402	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Cl"	34.969402
"25848"	417.176606	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M-2H+K"	36.948606
"462855"	607.290606	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M-2H+K"	36.948606
"843938"	227.062606	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-2H+K"	36.948606
"1564145"	227.062606	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+K-2H"	36.948606
"948747"	235.112194	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-H+HCOOH"	44.998194
"368056"	425.226201	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+HCOOH-H"	44.998201
"351937"	439.241851	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+Hac-H"	59.013851
"1500773"	249.127851	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Hac-H"	59.013851
"965037"	257.094151	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-H+NaCOOH"	66.980151
"115401"	225.083402	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+2Cl"	69.938804
"561158"	320.140402	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+2Cl"	69.938804
"1031051"	130.026402	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2Cl"	69.938804
"1244796"	269.032885	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Br"	78.918885
"1314173"	271.088872	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Cl+HCOOH"	80.974872
"1323646"	293.070829	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Cl+NaCOOH"	102.956829
"918351"	303.099586	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M-H+CF3COOH"	112.985586
"1292874"	339.076264	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Cl+CF3COOH"	148.962264
"1372128"	155.101324	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H-2H2O"	-35.012676
"1386343"	173.1113	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H-H2O"	-17.0027
"295511"	381.235276	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+H"	1.007276
"685745"	571.349276	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+H"	1.007276
"1358083"	191.121276	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H"	1.007276
"127690"	191.121276	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+2H"	2.014552
"567978"	286.178276	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+2H"	2.014552
"1051005"	96.064276	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2H"	2.014552
"216718"	127.749942666667	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+3H"	3.021828
"656648"	191.121276	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+3H"	3.021828
"1173315"	64.3786093333333	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+3H"	3.021828
"436956"	398.261823	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+NH4"	18.033823
"800140"	588.375823	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+NH4"	18.033823
"1694281"	208.147823	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+NH4"	18.033823
"343289"	199.6345495	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+H+NH4"	19.041099
"731702"	294.6915495	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+H+NH4"	19.041099
"1485524"	104.5775495	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H+NH4"	19.041099
"400921"	403.217218	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+Na"	22.989218
"760093"	593.331218	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+Na"	22.989218
"1608921"	213.103218	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Na"	22.989218
"320051"	202.112247	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+H+Na"	23.996494
"712472"	297.169247	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+H+Na"	23.996494
"1470671"	107.055247	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H+Na"	23.996494
"1061730"	71.7059233333333	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2H+Na"	25.00377
"1265594"	223.147486	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+CH3OH+H"	33.033486
"386355"	419.191158	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+K"	38.963158
"744074"	609.305158	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+K"	38.963158
"1549408"	229.077158	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+K"	38.963158
"305490"	210.099217	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+H+K"	39.970434
"697910"	305.156217	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+H+K"	39.970434
"1453918"	115.042217	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H+K"	39.970434
"240334"	422.261826	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+ACN+H"	42.033826
"1211586"	232.147826	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+ACN+H"	42.033826
"1196927"	116.577551	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+ACN+2H"	43.041102
"194174"	425.19916	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+2Na-H"	44.97116
"634825"	615.31316	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+2Na-H"	44.97116
"1133958"	235.08516	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2Na-H"	44.97116
"174453"	213.103218	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+2Na"	45.978436
"615712"	308.160218	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+2Na"	45.978436
"1118125"	118.046218	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2Na"	45.978436
"1404929"	79.0332373333333	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H+2Na"	46.985712
"1439234"	237.126746	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H+HCOOH"	47.012746
"224553"	218.13624	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+3H2O+2H"	56.04448
"1509822"	251.17879	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+IsoProp+H"	61.06479
"409386"	221.090188	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+Na+K"	61.952376
"773302"	316.147188	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+Na+K"	61.952376
"1667079"	126.033188	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Na+K"	61.952376
"256154"	444.243768	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+ACN+Na"	64.015768
"1241064"	254.129768	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+ACN+Na"	64.015768
"1725773"	254.153293	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+NH4+HCOOH"	64.039293
"1193562"	86.3605513333333	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+3Na"	68.967654
"1665031"	259.108688	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Na+HCOOH"	68.994688
"172424"	457.14704	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+2K-H"	76.91904
"611945"	647.26104	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+2K-H"	76.91904
"1099496"	267.03304	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2K-H"	76.91904
"151688"	229.077158	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"2M+2K"	77.926316
"595258"	324.134158	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"3M+2K"	77.926316
"1082200"	134.020158	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2K"	77.926316
"1113345"	269.047592	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2K+H"	78.933592
"1345354"	269.135207	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+DMSO+H"	79.021207
"1019721"	273.174376	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2ACN+H"	83.060376
"1534201"	274.168008	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+IsoProp+Na+H"	84.054008
"1003928"	137.090826	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+2ACN+2H"	84.067652
"1592966"	275.082628	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+K+HCOOH"	84.968628
"1426646"	305.114138	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+H+CF3COOH"	115.000138
"1160940"	157.604101	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+3ACN+2H"	125.094202
"1705024"	322.140685	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+NH4+CF3COOH"	132.026685
"1636302"	327.09608	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+Na+CF3COOH"	136.98208
"1572319"	343.07002	"C18943"	"Prothiocarb"	"C8H18N2OS"	"190.114"	"M+K+CF3COOH"	152.95602
"816790"	472.094	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M"	0
"989661"	453.07561	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-H2O-H"	-19.01839
"78409"	313.722057333333	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M-3H"	-3.021828
"518295"	471.086724	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M-3H"	-3.021828
"894949"	156.357390666667	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-3H"	-3.021828
"15439"	471.086724	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M-2H"	-2.014552
"455151"	707.133724	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M-2H"	-2.014552
"831618"	235.039724	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-2H"	-2.014552
"93314"	943.180724	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M-H"	-1.007276
"530810"	1415.274724	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M-H"	-1.007276
"907879"	471.086724	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-H"	-1.007276
"61527"	960.207271	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M-2H+NH4"	16.019271
"502301"	1432.301271	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M-2H+NH4"	16.019271
"877307"	488.113271	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-2H+NH4"	16.019271
"38769"	965.162666	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M-2H+Na"	20.974666
"473958"	1437.256666	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M-2H+Na"	20.974666
"851759"	493.068666	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-2H+Na"	20.974666
"1622385"	493.068666	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Na-2H"	20.974666
"97820"	489.075063	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M-H+Cl"	33.962126
"536651"	725.122063	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M-H+Cl"	33.962126
"938551"	253.028063	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-H+Cl"	33.962126
"274920"	979.157402	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+Cl"	34.969402
"671717"	1451.251402	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+Cl"	34.969402
"1280852"	507.063402	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Cl"	34.969402
"21222"	981.136606	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M-2H+K"	36.948606
"466245"	1453.230606	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M-2H+K"	36.948606
"840768"	509.042606	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-2H+K"	36.948606
"1564255"	509.042606	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+K-2H"	36.948606
"952138"	517.092194	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-H+HCOOH"	44.998194
"371447"	989.186201	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+HCOOH-H"	44.998201
"356424"	1003.201851	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+Hac-H"	59.013851
"1500883"	531.107851	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Hac-H"	59.013851
"968427"	539.074151	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-H+NaCOOH"	66.980151
"120614"	507.063402	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+2Cl"	69.938804
"561999"	743.110402	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+2Cl"	69.938804
"1032256"	271.016402	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2Cl"	69.938804
"1246366"	551.012885	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Br"	78.918885
"1309909"	553.068872	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Cl+HCOOH"	80.974872
"1325216"	575.050829	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Cl+NaCOOH"	102.956829
"921741"	585.079586	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M-H+CF3COOH"	112.985586
"1297357"	621.056264	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Cl+CF3COOH"	148.962264
"1375518"	437.081324	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H-2H2O"	-35.012676
"1391920"	455.0913	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H-H2O"	-17.0027
"294893"	945.195276	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+H"	1.007276
"688771"	1417.289276	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+H"	1.007276
"1358922"	473.101276	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H"	1.007276
"129622"	473.101276	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+2H"	2.014552
"571733"	709.148276	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+2H"	2.014552
"1051481"	237.054276	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2H"	2.014552
"219302"	315.736609333333	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+3H"	3.021828
"657124"	473.101276	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+3H"	3.021828
"1172696"	158.371942666667	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+3H"	3.021828
"437066"	962.221823	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+NH4"	18.033823
"795877"	1434.315823	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+NH4"	18.033823
"1694029"	490.127823	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+NH4"	18.033823
"342308"	481.6145495	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+H+NH4"	19.041099
"732906"	717.6615495	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+H+NH4"	19.041099
"1485635"	245.5675495	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H+NH4"	19.041099
"403218"	967.177218	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+Na"	22.989218
"758746"	1439.271218	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+Na"	22.989218
"1607938"	495.083218	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Na"	22.989218
"321253"	484.092247	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+H+Na"	23.996494
"715861"	720.139247	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+H+Na"	23.996494
"1471872"	248.045247	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H+Na"	23.996494
"1060746"	165.699256666667	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2H+Na"	25.00377
"1262424"	505.127486	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+CH3OH+H"	33.033486
"383185"	983.151158	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+K"	38.963158
"744183"	1455.245158	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+K"	38.963158
"1546238"	511.057158	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+K"	38.963158
"305600"	492.079217	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+H+K"	39.970434
"698020"	728.126217	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+H+K"	39.970434
"1456214"	256.032217	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H+K"	39.970434
"242630"	986.221826	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+ACN+H"	42.033826
"1214248"	514.127826	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+ACN+H"	42.033826
"1197403"	257.567551	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+ACN+2H"	43.041102
"194284"	989.15916	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+2Na-H"	44.97116
"634937"	1461.25316	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+2Na-H"	44.97116
"1136254"	517.06516	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2Na-H"	44.97116
"181730"	495.083218	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+2Na"	45.978436
"614121"	731.130218	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+2Na"	45.978436
"1119328"	259.036218	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2Na"	45.978436
"1407225"	173.026570666667	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H+2Na"	46.985712
"1432781"	519.106746	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H+HCOOH"	47.012746
"224663"	500.11624	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+3H2O+2H"	56.04448
"1512729"	533.15879	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+IsoProp+H"	61.06479
"411326"	503.070188	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+Na+K"	61.952376
"773411"	739.117188	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+Na+K"	61.952376
"1669745"	267.023188	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Na+K"	61.952376
"265382"	1008.203768	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+ACN+Na"	64.015768
"1240886"	536.109768	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+ACN+Na"	64.015768
"1727708"	536.133293	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+NH4+HCOOH"	64.039293
"1191969"	180.353884666667	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+3Na"	68.967654
"1665346"	541.088688	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Na+HCOOH"	68.994688
"172495"	1021.10704	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+2K-H"	76.91904
"612663"	1493.20104	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+2K-H"	76.91904
"1099887"	549.01304	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2K-H"	76.91904
"156539"	511.057158	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"2M+2K"	77.926316
"594517"	747.104158	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"3M+2K"	77.926316
"1083044"	275.010158	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2K"	77.926316
"1109083"	551.027592	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2K+H"	78.933592
"1349117"	551.115207	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+DMSO+H"	79.021207
"1016183"	555.154376	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2ACN+H"	83.060376
"1532120"	556.148008	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+IsoProp+Na+H"	84.054008
"998573"	278.080826	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+2ACN+2H"	84.067652
"1593076"	557.062628	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+K+HCOOH"	84.968628
"1420924"	587.094138	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+H+CF3COOH"	115.000138
"1161052"	298.594101	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+3ACN+2H"	125.094202
"1702947"	604.120685	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+NH4+CF3COOH"	132.026685
"1637506"	609.07608	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+Na+CF3COOH"	136.98208
"1572065"	625.05002	"C18944"	"Quinacetol sulfate;Quinacetol"	"(C11H9NO2)2H2SO4"	"472.094"	"M+K+CF3COOH"	152.95602
"817005"	243.9532	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M"	0
"989798"	224.93481	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-H2O-H"	-19.01839
"78503"	161.628190666667	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M-3H"	-3.021828
"518447"	242.945924	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M-3H"	-3.021828
"894826"	80.3104573333333	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-3H"	-3.021828
"15693"	242.945924	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M-2H"	-2.014552
"454903"	364.922524	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M-2H"	-2.014552
"832300"	120.969324	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-2H"	-2.014552
"92813"	486.899124	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M-H"	-1.007276
"533106"	730.852324	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M-H"	-1.007276
"909452"	242.945924	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-H"	-1.007276
"59088"	503.925671	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M-2H+NH4"	16.019271
"500832"	747.878871	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M-2H+NH4"	16.019271
"877540"	259.972471	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-2H+NH4"	16.019271
"41066"	508.881066	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M-2H+Na"	20.974666
"478441"	752.834266	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M-2H+Na"	20.974666
"851138"	264.927866	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-2H+Na"	20.974666
"1621402"	264.927866	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Na-2H"	20.974666
"99023"	260.934263	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M-H+Cl"	33.962126
"537124"	382.910863	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M-H+Cl"	33.962126
"931007"	138.957663	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-H+Cl"	33.962126
"275030"	522.875802	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+Cl"	34.969402
"671827"	766.829002	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+Cl"	34.969402
"1284243"	278.922602	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Cl"	34.969402
"25707"	524.855006	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M-2H+K"	36.948606
"467450"	768.808206	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M-2H+K"	36.948606
"843066"	280.901806	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-2H+K"	36.948606
"1568375"	280.901806	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+K-2H"	36.948606
"955165"	288.951394	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-H+HCOOH"	44.998194
"374476"	532.904601	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+HCOOH-H"	44.998201
"353253"	546.920251	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+Hac-H"	59.013851
"1504273"	302.967051	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Hac-H"	59.013851
"970360"	310.933351	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-H+NaCOOH"	66.980151
"121816"	278.922602	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+2Cl"	69.938804
"562108"	400.899202	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+2Cl"	69.938804
"1033459"	156.946002	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2Cl"	69.938804
"1253036"	322.872085	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Br"	78.918885
"1316579"	324.928072	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Cl+HCOOH"	80.974872
"1329701"	346.910029	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Cl+NaCOOH"	102.956829
"921851"	356.938786	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M-H+CF3COOH"	112.985586
"1299290"	392.915464	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Cl+CF3COOH"	148.962264
"1380002"	208.940524	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H-2H2O"	-35.012676
"1390937"	226.9505	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H-H2O"	-17.0027
"297920"	488.913676	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+H"	1.007276
"689976"	732.866876	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+H"	1.007276
"1361585"	244.960476	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H"	1.007276
"130098"	244.960476	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+2H"	2.014552
"571843"	366.937076	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+2H"	2.014552
"1050128"	122.983876	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2H"	2.014552
"217669"	163.642742666667	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+3H"	3.021828
"658328"	244.960476	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+3H"	3.021828
"1173900"	82.3250093333333	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+3H"	3.021828
"437177"	505.940223	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+NH4"	18.033823
"798173"	749.893423	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+NH4"	18.033823
"1694139"	261.987023	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+NH4"	18.033823
"342783"	253.4737495	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+H+NH4"	19.041099
"735204"	375.4503495	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+H+NH4"	19.041099
"1485745"	131.4971495	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H+NH4"	19.041099
"403330"	510.895618	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+Na"	22.989218
"762137"	754.848818	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+Na"	22.989218
"1611328"	266.942418	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Na"	22.989218
"324646"	255.951447	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+H+Na"	23.996494
"717066"	377.928047	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+H+Na"	23.996494
"1470888"	133.974847	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H+Na"	23.996494
"1057577"	89.6523233333333	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2H+Na"	25.00377
"1262536"	276.986686	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+CH3OH+H"	33.033486
"382203"	526.869558	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+K"	38.963158
"739309"	770.822758	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+K"	38.963158
"1541973"	282.916358	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+K"	38.963158
"302430"	263.938417	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+H+K"	39.970434
"698130"	385.915017	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+H+K"	39.970434
"1453042"	141.961817	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H+K"	39.970434
"241648"	529.940226	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+ACN+H"	42.033826
"1212173"	285.987026	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+ACN+H"	42.033826
"1196057"	143.497151	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+ACN+2H"	43.041102
"197676"	532.87756	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+2Na-H"	44.97116
"636142"	776.83076	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+2Na-H"	44.97116
"1140737"	288.92436	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2Na-H"	44.97116
"180747"	266.942418	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+2Na"	45.978436
"615934"	388.919018	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+2Na"	45.978436
"1121625"	144.965818	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2Na"	45.978436
"1409526"	96.9796373333333	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H+2Na"	46.985712
"1438358"	290.965946	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H+HCOOH"	47.012746
"230244"	271.97544	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+3H2O+2H"	56.04448
"1511748"	305.01799	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+IsoProp+H"	61.06479
"411436"	274.929388	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+Na+K"	61.952376
"773522"	396.905988	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+Na+K"	61.952376
"1669855"	152.952788	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Na+K"	61.952376
"265491"	551.922168	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+ACN+Na"	64.015768
"1241067"	307.968968	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+ACN+Na"	64.015768
"1726000"	307.992493	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+NH4+HCOOH"	64.039293
"1193178"	104.306951333333	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+3Na"	68.967654
"1664529"	312.947888	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Na+HCOOH"	68.994688
"172119"	564.82544	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+2K-H"	76.91904
"612529"	808.77864	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+2K-H"	76.91904
"1098979"	320.87224	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2K-H"	76.91904
"157034"	282.916358	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"2M+2K"	77.926316
"596094"	404.892958	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"3M+2K"	77.926316
"1084010"	160.939758	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2K"	77.926316
"1114544"	322.886792	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2K+H"	78.933592
"1350684"	322.974407	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+DMSO+H"	79.021207
"1016293"	327.013576	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2ACN+H"	83.060376
"1537708"	328.007208	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+IsoProp+Na+H"	84.054008
"998683"	164.010426	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+2ACN+2H"	84.067652
"1599746"	328.921828	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+K+HCOOH"	84.968628
"1424314"	358.953338	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+H+CF3COOH"	115.000138
"1161161"	184.523701	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+3ACN+2H"	125.094202
"1708525"	375.979885	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+NH4+CF3COOH"	132.026685
"1638709"	380.93528	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+Na+CF3COOH"	136.98208
"1572175"	396.90922	"C18945"	"Thicyofen"	"C8H5ClN2OS2"	"243.9532"	"M+K+CF3COOH"	152.95602
"803633"	235.9537	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M"	0
"989836"	216.93531	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-H2O-H"	-19.01839
"78055"	156.295190666667	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M-3H"	-3.021828
"517978"	234.946424	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M-3H"	-3.021828
"894321"	77.6439573333333	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-3H"	-3.021828
"13378"	234.946424	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M-2H"	-2.014552
"454650"	352.923274	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M-2H"	-2.014552
"830753"	116.969574	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-2H"	-2.014552
"92559"	470.900124	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M-H"	-1.007276
"530669"	706.853824	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M-H"	-1.007276
"907011"	234.946424	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-H"	-1.007276
"61507"	487.926671	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M-2H+NH4"	16.019271
"500583"	723.880371	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M-2H+NH4"	16.019271
"876557"	251.972971	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-2H+NH4"	16.019271
"41176"	492.882066	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M-2H+Na"	20.974666
"479641"	728.835766	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M-2H+Na"	20.974666
"851978"	256.928366	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-2H+Na"	20.974666
"1622605"	256.928366	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Na-2H"	20.974666
"95853"	252.934763	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M-H+Cl"	33.962126
"539786"	370.911613	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M-H+Cl"	33.962126
"932210"	134.957913	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-H+Cl"	33.962126
"275140"	506.876802	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+Cl"	34.969402
"671937"	742.830502	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+Cl"	34.969402
"1284353"	270.923102	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Cl"	34.969402
"25816"	508.856006	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M-2H+K"	36.948606
"467559"	744.809706	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M-2H+K"	36.948606
"842083"	272.902306	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-2H+K"	36.948606
"1567392"	272.902306	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+K-2H"	36.948606
"953453"	280.951894	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-H+HCOOH"	44.998194
"371669"	516.905601	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+HCOOH-H"	44.998201
"350447"	530.921251	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+Hac-H"	59.013851
"1501103"	294.967551	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Hac-H"	59.013851
"968647"	302.933851	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-H+NaCOOH"	66.980151
"119739"	270.923102	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+2Cl"	69.938804
"562218"	388.899952	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+2Cl"	69.938804
"1032475"	152.946252	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2Cl"	69.938804
"1250959"	314.872585	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Br"	78.918885
"1316689"	316.928572	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Cl+HCOOH"	80.974872
"1329811"	338.910529	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Cl+NaCOOH"	102.956829
"919774"	348.939286	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M-H+CF3COOH"	112.985586
"1293204"	384.915964	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Cl+CF3COOH"	148.962264
"1372821"	200.941024	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H-2H2O"	-35.012676
"1388860"	218.951	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H-H2O"	-17.0027
"295477"	472.914676	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+H"	1.007276
"686439"	708.868376	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+H"	1.007276
"1357320"	236.960976	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H"	1.007276
"128021"	236.960976	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+2H"	2.014552
"569767"	354.937826	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+2H"	2.014552
"1050238"	118.984126	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2H"	2.014552
"219685"	158.309742666667	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+3H"	3.021828
"658070"	236.960976	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+3H"	3.021828
"1174009"	79.6585093333333	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+3H"	3.021828
"439480"	489.941223	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+NH4"	18.033823
"800470"	725.894923	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+NH4"	18.033823
"1696558"	253.987523	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+NH4"	18.033823
"345528"	245.4742495	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+H+NH4"	19.041099
"738356"	363.4510995	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+H+NH4"	19.041099
"1490229"	127.4973995	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H+NH4"	19.041099
"405628"	494.896618	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+Na"	22.989218
"768932"	730.850318	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+Na"	22.989218
"1615812"	258.942918	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Na"	22.989218
"328644"	247.951947	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+H+Na"	23.996494
"721551"	365.928797	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+H+Na"	23.996494
"1475618"	129.975097	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H+Na"	23.996494
"1065341"	86.9858233333333	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2H+Na"	25.00377
"1270301"	268.987186	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+CH3OH+H"	33.033486
"391061"	510.870558	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+K"	38.963158
"742216"	746.824258	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+K"	38.963158
"1543177"	274.916858	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+K"	38.963158
"302540"	255.938917	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+H+K"	39.970434
"705167"	373.915767	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+H+K"	39.970434
"1454249"	137.962067	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H+K"	39.970434
"246133"	513.941226	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+ACN+H"	42.033826
"1217750"	277.987526	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+ACN+H"	42.033826
"1205645"	139.497401	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+ACN+2H"	43.041102
"200701"	516.87856	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+2Na-H"	44.97116
"640625"	752.83226	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+2Na-H"	44.97116
"1145588"	280.92486	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2Na-H"	44.97116
"186692"	258.942918	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+2Na"	45.978436
"625885"	376.919768	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+2Na"	45.978436
"1127933"	140.966068	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2Na"	45.978436
"1412919"	94.3131373333333	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H+2Na"	46.985712
"1443211"	282.966446	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H+HCOOH"	47.012746
"235095"	263.97594	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+3H2O+2H"	56.04448
"1517324"	297.01849	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+IsoProp+H"	61.06479
"419198"	266.929888	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+Na+K"	61.952376
"780194"	384.906738	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+Na+K"	61.952376
"1672150"	148.953038	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Na+K"	61.952376
"265236"	535.923168	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+ACN+Na"	64.015768
"1241309"	299.969468	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+ACN+Na"	64.015768
"1728178"	299.992993	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+NH4+HCOOH"	64.039293
"1193292"	101.640451333333	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+3Na"	68.967654
"1664640"	304.948388	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Na+HCOOH"	68.994688
"171129"	548.82644	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+2K-H"	76.91904
"612686"	784.78014	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+2K-H"	76.91904
"1099872"	312.87274	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2K-H"	76.91904
"155301"	274.916858	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"2M+2K"	77.926316
"596809"	392.893708	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"3M+2K"	77.926316
"1083145"	156.940008	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2K"	77.926316
"1113684"	314.887292	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2K+H"	78.933592
"1348491"	314.974907	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+DMSO+H"	79.021207
"1021024"	319.014076	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2ACN+H"	83.060376
"1537696"	320.007708	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+IsoProp+Na+H"	84.054008
"1002073"	160.010676	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+2ACN+2H"	84.067652
"1599859"	320.922328	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+K+HCOOH"	84.968628
"1422235"	350.953838	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+H+CF3COOH"	115.000138
"1157991"	180.523951	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+3ACN+2H"	125.094202
"1708635"	367.980385	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+NH4+CF3COOH"	132.026685
"1641006"	372.93578	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+Na+CF3COOH"	136.98208
"1573378"	388.90972	"C18946"	"Thioquinox"	"C9H4N2S3"	"235.9537"	"M+K+CF3COOH"	152.95602
"811398"	274.1681	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M"	0
"984934"	255.14971	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-H2O-H"	-19.01839
"78208"	181.771457333333	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M-3H"	-3.021828
"518089"	273.160824	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M-3H"	-3.021828
"894921"	90.3820906666667	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-3H"	-3.021828
"15073"	273.160824	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M-2H"	-2.014552
"452697"	410.244874	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M-2H"	-2.014552
"829403"	136.076774	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-2H"	-2.014552
"91212"	547.328924	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M-H"	-1.007276
"529318"	821.497024	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M-H"	-1.007276
"905300"	273.160824	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-H"	-1.007276
"57122"	564.355471	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M-2H+NH4"	16.019271
"499231"	838.523571	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M-2H+NH4"	16.019271
"875211"	290.187371	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-2H+NH4"	16.019271
"40193"	569.310866	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M-2H+Na"	20.974666
"478658"	843.478966	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M-2H+Na"	20.974666
"848929"	295.142766	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-2H+Na"	20.974666
"1619435"	295.142766	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Na-2H"	20.974666
"94362"	291.149163	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M-H+Cl"	33.962126
"534463"	428.233213	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M-H+Cl"	33.962126
"927333"	154.065113	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-H+Cl"	33.962126
"267251"	583.305602	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+Cl"	34.969402
"665487"	857.473702	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+Cl"	34.969402
"1283369"	309.137502	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Cl"	34.969402
"27021"	585.284806	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M-2H+K"	36.948606
"463298"	859.452906	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M-2H+K"	36.948606
"842193"	311.116706	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-2H+K"	36.948606
"1561308"	311.116706	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+K-2H"	36.948606
"951376"	319.166294	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-H+HCOOH"	44.998194
"369594"	593.334401	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+HCOOH-H"	44.998201
"357489"	607.350051	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+Hac-H"	59.013851
"1500120"	333.181951	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Hac-H"	59.013851
"968393"	341.148251	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-H+NaCOOH"	66.980151
"118756"	309.137502	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+2Cl"	69.938804
"562329"	446.221552	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+2Cl"	69.938804
"1034775"	172.053452	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2Cl"	69.938804
"1253257"	353.086985	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Br"	78.918885
"1317894"	355.142972	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Cl+HCOOH"	80.974872
"1332838"	377.124929	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Cl+NaCOOH"	102.956829
"918792"	387.153686	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M-H+CF3COOH"	112.985586
"1292584"	423.130364	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Cl+CF3COOH"	148.962264
"1372567"	239.155424	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H-2H2O"	-35.012676
"1388970"	257.1654	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H-H2O"	-17.0027
"297777"	549.343476	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+H"	1.007276
"686185"	823.511576	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+H"	1.007276
"1357430"	275.175376	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H"	1.007276
"131414"	275.175376	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+2H"	2.014552
"568786"	412.259426	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+2H"	2.014552
"1048526"	138.091326	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2H"	2.014552
"215339"	183.786009333333	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+3H"	3.021828
"657453"	275.175376	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+3H"	3.021828
"1174119"	92.3966426666667	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+3H"	3.021828
"439220"	566.370023	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+NH4"	18.033823
"799123"	840.538123	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+NH4"	18.033823
"1693994"	292.201923	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+NH4"	18.033823
"344461"	283.6886495	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+H+NH4"	19.041099
"736153"	420.7726995	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+H+NH4"	19.041099
"1488153"	146.6045995	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H+NH4"	19.041099
"403551"	571.325418	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+Na"	22.989218
"767460"	845.493518	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+Na"	22.989218
"1612642"	297.157318	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Na"	22.989218
"327053"	286.166347	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+H+Na"	23.996494
"720566"	423.250397	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+H+Na"	23.996494
"1473295"	149.082297	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H+Na"	23.996494
"1064357"	99.7239566666667	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2H+Na"	25.00377
"1267130"	307.201586	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+CH3OH+H"	33.033486
"387891"	587.299358	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+K"	38.963158
"744513"	861.467458	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+K"	38.963158
"1546567"	313.131258	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+K"	38.963158
"305931"	294.153317	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+H+K"	39.970434
"699445"	431.237367	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+H+K"	39.970434
"1451079"	157.069267	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H+K"	39.970434
"248067"	590.370026	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+ACN+H"	42.033826
"1217860"	316.201926	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+ACN+H"	42.033826
"1202473"	158.604601	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+ACN+2H"	43.041102
"200812"	593.30736	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+2Na-H"	44.97116
"639643"	867.47546	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+2Na-H"	44.97116
"1142785"	319.13926	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2Na-H"	44.97116
"184616"	297.157318	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+2Na"	45.978436
"624902"	434.241368	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+2Na"	45.978436
"1127680"	160.073268	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2Na"	45.978436
"1411204"	107.051270666667	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H+2Na"	46.985712
"1441499"	321.180846	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H+HCOOH"	47.012746
"228279"	302.19034	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+3H2O+2H"	56.04448
"1515247"	335.23289	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+IsoProp+H"	61.06479
"417122"	305.144288	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+Na+K"	61.952376
"775201"	442.228338	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+Na+K"	61.952376
"1672261"	168.060238	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Na+K"	61.952376
"264252"	612.351968	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+ACN+Na"	64.015768
"1239516"	338.183868	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+ACN+Na"	64.015768
"1726951"	338.207393	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+NH4+HCOOH"	64.039293
"1191943"	114.378584666667	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+3Na"	68.967654
"1664023"	343.162788	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Na+HCOOH"	68.994688
"171117"	625.25524	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+2K-H"	76.91904
"612381"	899.42334	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+2K-H"	76.91904
"1099323"	351.08714	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2K-H"	76.91904
"155047"	313.131258	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"2M+2K"	77.926316
"594976"	450.215308	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"3M+2K"	77.926316
"1080580"	176.047208	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2K"	77.926316
"1113548"	353.101692	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2K+H"	78.933592
"1349082"	353.189307	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+DMSO+H"	79.021207
"1019795"	357.228476	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2ACN+H"	83.060376
"1537922"	358.222108	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+IsoProp+Na+H"	84.054008
"998902"	179.117876	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+2ACN+2H"	84.067652
"1599966"	359.136728	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+K+HCOOH"	84.968628
"1427813"	389.168238	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+H+CF3COOH"	115.000138
"1161990"	199.631151	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+3ACN+2H"	125.094202
"1710933"	406.194785	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+NH4+CF3COOH"	132.026685
"1646581"	411.15018	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+Na+CF3COOH"	136.98208
"1572759"	427.12412	"C18947"	"Allyxycarb"	"C16H22N2O2"	"274.1681"	"M+K+CF3COOH"	152.95602
"802395"	442.2832	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M"	0
"986867"	423.26481	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-H2O-H"	-19.01839
"77957"	293.848190666667	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M-3H"	-3.021828
"518078"	441.275924	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M-3H"	-3.021828
"895425"	146.420457333333	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-3H"	-3.021828
"15101"	441.275924	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M-2H"	-2.014552
"452809"	662.417524	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M-2H"	-2.014552
"831820"	220.134324	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-2H"	-2.014552
"92058"	883.559124	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M-H"	-1.007276
"529431"	1325.842324	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M-H"	-1.007276
"906139"	441.275924	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-H"	-1.007276
"61120"	900.585671	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M-2H+NH4"	16.019271
"500075"	1342.868871	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M-2H+NH4"	16.019271
"876777"	458.302471	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-2H+NH4"	16.019271
"40303"	905.541066	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M-2H+Na"	20.974666
"473302"	1347.824266	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M-2H+Na"	20.974666
"856569"	463.257866	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-2H+Na"	20.974666
"1621732"	463.257866	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Na-2H"	20.974666
"100448"	459.264263	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M-H+Cl"	33.962126
"535140"	680.405863	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M-H+Cl"	33.962126
"927809"	238.122663	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-H+Cl"	33.962126
"267497"	919.535802	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+Cl"	34.969402
"665597"	1361.819002	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+Cl"	34.969402
"1287006"	477.252602	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Cl"	34.969402
"31107"	921.515006	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M-2H+K"	36.948606
"469856"	1363.798206	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M-2H+K"	36.948606
"844493"	479.231806	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-2H+K"	36.948606
"1569439"	479.231806	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+K-2H"	36.948606
"953676"	487.281394	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-H+HCOOH"	44.998194
"374081"	929.564601	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+HCOOH-H"	44.998201
"360031"	943.580251	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+Hac-H"	59.013851
"1500232"	501.297051	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Hac-H"	59.013851
"972396"	509.263351	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-H+NaCOOH"	66.980151
"122518"	477.252602	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+2Cl"	69.938804
"562444"	698.394202	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+2Cl"	69.938804
"1033795"	256.111002	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2Cl"	69.938804
"1255559"	521.202085	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Br"	78.918885
"1316913"	523.258072	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Cl+HCOOH"	80.974872
"1331129"	545.240029	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Cl+NaCOOH"	102.956829
"923278"	555.268786	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M-H+CF3COOH"	112.985586
"1296706"	591.245464	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Cl+CF3COOH"	148.962264
"1373042"	407.270524	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H-2H2O"	-35.012676
"1386531"	425.2805	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H-H2O"	-17.0027
"297156"	885.573676	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+H"	1.007276
"686661"	1327.856876	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+H"	1.007276
"1356448"	443.290476	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H"	1.007276
"140274"	443.290476	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+2H"	2.014552
"579836"	664.432076	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+2H"	2.014552
"1052620"	222.148876	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2H"	2.014552
"219543"	295.862742666667	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+3H"	3.021828
"659552"	443.290476	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+3H"	3.021828
"1178444"	148.435009333333	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+3H"	3.021828
"439577"	902.600223	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+NH4"	18.033823
"800688"	1344.883423	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+NH4"	18.033823
"1695196"	460.317023	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+NH4"	18.033823
"344451"	451.8037495	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+H+NH4"	19.041099
"738132"	672.9453495	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+H+NH4"	19.041099
"1488262"	230.6621495	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H+NH4"	19.041099
"405848"	907.555618	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+Na"	22.989218
"767935"	1349.838818	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+Na"	22.989218
"1611660"	465.272418	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Na"	22.989218
"327164"	454.281447	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+H+Na"	23.996494
"719584"	675.423047	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+H+Na"	23.996494
"1470125"	233.139847	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H+Na"	23.996494
"1063373"	155.762323333333	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2H+Na"	25.00377
"1266145"	475.316686	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+CH3OH+H"	33.033486
"388003"	923.529558	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+K"	38.963158
"740250"	1365.812758	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+K"	38.963158
"1542305"	481.246358	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+K"	38.963158
"299480"	462.268417	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+H+K"	39.970434
"698464"	683.410017	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+H+K"	39.970434
"1451190"	241.126817	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H+K"	39.970434
"245260"	926.600226	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+ACN+H"	42.033826
"1215783"	484.317026	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+ACN+H"	42.033826
"1198937"	242.662151	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+ACN+2H"	43.041102
"191810"	929.53756	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+2Na-H"	44.97116
"637566"	1371.82076	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+2Na-H"	44.97116
"1138887"	487.25436	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2Na-H"	44.97116
"182177"	465.272418	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+2Na"	45.978436
"618457"	686.414018	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+2Na"	45.978436
"1119776"	244.130818	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2Na"	45.978436
"1404394"	163.089637333333	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H+2Na"	46.985712
"1438696"	489.295946	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H+HCOOH"	47.012746
"233130"	470.30544	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+3H2O+2H"	56.04448
"1523015"	503.34799	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+IsoProp+H"	61.06479
"416141"	473.259388	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+Na+K"	61.952376
"777133"	694.400988	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+Na+K"	61.952376
"1675653"	252.117788	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Na+K"	61.952376
"264362"	948.582168	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+ACN+Na"	64.015768
"1240922"	506.298968	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+ACN+Na"	64.015768
"1726334"	506.322493	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+NH4+HCOOH"	64.039293
"1192056"	170.416951333333	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+3Na"	68.967654
"1663403"	511.277888	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Na+HCOOH"	68.994688
"170991"	961.48544	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+2K-H"	76.91904
"610556"	1403.76864	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+2K-H"	76.91904
"1098587"	519.20224	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2K-H"	76.91904
"153701"	481.246358	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"2M+2K"	77.926316
"592175"	702.387958	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"3M+2K"	77.926316
"1080696"	260.104758	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2K"	77.926316
"1110622"	521.216792	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2K+H"	78.933592
"1349197"	521.304407	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+DMSO+H"	79.021207
"1020522"	525.343576	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2ACN+H"	83.060376
"1536581"	526.337208	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+IsoProp+Na+H"	84.054008
"1001202"	263.175426	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+2ACN+2H"	84.067652
"1597894"	527.251828	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+K+HCOOH"	84.968628
"1429023"	557.283338	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+H+CF3COOH"	115.000138
"1162104"	283.688701	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+3ACN+2H"	125.094202
"1710318"	574.309885	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+NH4+CF3COOH"	132.026685
"1647786"	579.26528	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+Na+CF3COOH"	136.98208
"1574692"	595.23922	"C18948"	"Bufencarb"	"(C13H19NO2)2"	"442.2832"	"M+K+CF3COOH"	152.95602
"805057"	263.1885	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M"	0
"975429"	244.17011	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-H2O-H"	-19.01839
"78513"	174.451724	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M-3H"	-3.021828
"515144"	262.181224	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M-3H"	-3.021828
"892949"	86.722224	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-3H"	-3.021828
"11522"	262.181224	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M-2H"	-2.014552
"455101"	393.775474	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M-2H"	-2.014552
"831440"	130.586974	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-2H"	-2.014552
"91065"	525.369724	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M-H"	-1.007276
"532088"	788.558224	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M-H"	-1.007276
"908070"	262.181224	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-H"	-1.007276
"60618"	542.396271	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M-2H+NH4"	16.019271
"500545"	805.584771	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M-2H+NH4"	16.019271
"876159"	279.207771	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-2H+NH4"	16.019271
"42236"	547.351666	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M-2H+Na"	20.974666
"477785"	810.540166	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M-2H+Na"	20.974666
"854492"	284.163166	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-2H+Na"	20.974666
"1621842"	284.163166	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Na-2H"	20.974666
"100558"	280.169563	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M-H+Cl"	33.962126
"534564"	411.763813	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M-H+Cl"	33.962126
"928286"	148.575313	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-H+Cl"	33.962126
"268910"	561.346402	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+Cl"	34.969402
"668987"	824.534902	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+Cl"	34.969402
"1287847"	298.157902	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Cl"	34.969402
"30406"	563.325606	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M-2H+K"	36.948606
"470086"	826.514106	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M-2H+K"	36.948606
"843510"	300.137106	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-2H+K"	36.948606
"1570279"	300.137106	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+K-2H"	36.948606
"953786"	308.186694	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-H+HCOOH"	44.998194
"372002"	571.375201	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+HCOOH-H"	44.998201
"359533"	585.390851	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+Hac-H"	59.013851
"1501435"	322.202351	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Hac-H"	59.013851
"966788"	330.168651	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-H+NaCOOH"	66.980151
"124936"	298.157902	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+2Cl"	69.938804
"562188"	429.752152	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+2Cl"	69.938804
"1035728"	166.563652	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2Cl"	69.938804
"1254940"	342.107385	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Br"	78.918885
"1317023"	344.163372	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Cl+HCOOH"	80.974872
"1332331"	366.145329	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Cl+NaCOOH"	102.956829
"924847"	376.174086	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M-H+CF3COOH"	112.985586
"1299003"	412.150764	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Cl+CF3COOH"	148.962264
"1373882"	228.175824	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H-2H2O"	-35.012676
"1392473"	246.1858	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H-H2O"	-17.0027
"297997"	527.384276	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+H"	1.007276
"690660"	790.572776	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+H"	1.007276
"1359474"	264.195776	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H"	1.007276
"138927"	264.195776	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+2H"	2.014552
"579946"	395.790026	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+2H"	2.014552
"1052703"	132.601526	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2H"	2.014552
"219328"	176.466276	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+3H"	3.021828
"657919"	264.195776	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+3H"	3.021828
"1177505"	88.736776	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+3H"	3.021828
"437979"	544.410823	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+NH4"	18.033823
"798247"	807.599323	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+NH4"	18.033823
"1694943"	281.222323	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+NH4"	18.033823
"345044"	272.7090495	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+H+NH4"	19.041099
"738361"	404.3032995	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+H+NH4"	19.041099
"1485093"	141.1147995	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H+NH4"	19.041099
"404867"	549.366218	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+Na"	22.989218
"764768"	812.554718	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+Na"	22.989218
"1612865"	286.177718	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Na"	22.989218
"326546"	275.186747	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+H+Na"	23.996494
"720789"	406.780997	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+H+Na"	23.996494
"1473882"	143.592497	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H+Na"	23.996494
"1063483"	96.06409	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2H+Na"	25.00377
"1264069"	296.221986	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+CH3OH+H"	33.033486
"387021"	565.340158	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+K"	38.963158
"741453"	828.528658	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+K"	38.963158
"1542415"	302.151658	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+K"	38.963158
"301776"	283.173717	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+H+K"	39.970434
"699668"	414.767967	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+H+K"	39.970434
"1453487"	151.579467	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H+K"	39.970434
"245371"	568.410826	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+ACN+H"	42.033826
"1219176"	305.222326	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+ACN+H"	42.033826
"1201966"	153.114801	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+ACN+2H"	43.041102
"200304"	571.34816	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+2Na-H"	44.97116
"639865"	834.53666	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+2Na-H"	44.97116
"1145195"	308.15966	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2Na-H"	44.97116
"186663"	286.177718	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+2Na"	45.978436
"618933"	417.771968	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+2Na"	45.978436
"1126447"	154.583468	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2Na"	45.978436
"1408877"	103.391404	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H+2Na"	46.985712
"1440993"	310.201246	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H+HCOOH"	47.012746
"235147"	291.21074	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+3H2O+2H"	56.04448
"1522762"	324.25329	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+IsoProp+H"	61.06479
"418437"	294.164688	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+Na+K"	61.952376
"781253"	425.758938	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+Na+K"	61.952376
"1679044"	162.570438	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Na+K"	61.952376
"264472"	590.392768	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+ACN+Na"	64.015768
"1239857"	327.204268	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+ACN+Na"	64.015768
"1726444"	327.227793	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+NH4+HCOOH"	64.039293
"1193505"	110.718718	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+3Na"	68.967654
"1662786"	332.183188	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Na+HCOOH"	68.994688
"171103"	603.29604	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+2K-H"	76.91904
"611397"	866.48454	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+2K-H"	76.91904
"1098576"	340.10754	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2K-H"	76.91904
"153815"	302.151658	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"2M+2K"	77.926316
"591556"	433.745908	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"3M+2K"	77.926316
"1080078"	170.557408	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2K"	77.926316
"1112190"	342.122092	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2K+H"	78.933592
"1347849"	342.209707	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+DMSO+H"	79.021207
"1019296"	346.248876	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2ACN+H"	83.060376
"1538146"	347.242508	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+IsoProp+Na+H"	84.054008
"1004590"	173.628076	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+2ACN+2H"	84.067652
"1601648"	348.157128	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+K+HCOOH"	84.968628
"1428401"	378.188638	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+H+CF3COOH"	115.000138
"1159419"	194.141351	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+3ACN+2H"	125.094202
"1712615"	395.215185	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+NH4+CF3COOH"	132.026685
"1649354"	400.17058	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+Na+CF3COOH"	136.98208
"1574802"	416.14452	"C18949"	"Butacarb"	"C16H25NO2"	"263.1885"	"M+K+CF3COOH"	152.95602
"801887"	213.0557	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M"	0
"975418"	194.03731	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-H2O-H"	-19.01839
"77766"	141.029857333333	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M-3H"	-3.021828
"513068"	212.048424	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M-3H"	-3.021828
"895250"	70.0112906666667	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-3H"	-3.021828
"13819"	212.048424	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M-2H"	-2.014552
"455288"	318.576274	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M-2H"	-2.014552
"828630"	105.520574	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-2H"	-2.014552
"87891"	425.104124	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M-H"	-1.007276
"532930"	638.159824	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M-H"	-1.007276
"909274"	212.048424	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-H"	-1.007276
"61097"	442.130671	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M-2H+NH4"	16.019271
"499926"	655.186371	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M-2H+NH4"	16.019271
"876635"	229.074971	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-2H+NH4"	16.019271
"40524"	447.086066	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M-2H+Na"	20.974666
"474616"	660.141766	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M-2H+Na"	20.974666
"848566"	234.030366	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-2H+Na"	20.974666
"1619033"	234.030366	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Na-2H"	20.974666
"97384"	230.036763	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M-H+Cl"	33.962126
"535121"	336.564613	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M-H+Cl"	33.962126
"928271"	123.508913	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-H+Cl"	33.962126
"277769"	461.080802	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+Cl"	34.969402
"669097"	674.136502	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+Cl"	34.969402
"1288422"	248.025102	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Cl"	34.969402
"31010"	463.060006	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M-2H+K"	36.948606
"471173"	676.115706	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M-2H+K"	36.948606
"848243"	250.004306	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-2H+K"	36.948606
"1570389"	250.004306	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+K-2H"	36.948606
"956815"	258.053894	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-H+HCOOH"	44.998194
"376937"	471.109601	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+HCOOH-H"	44.998201
"360372"	485.125251	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+Hac-H"	59.013851
"1501545"	272.069551	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Hac-H"	59.013851
"966898"	280.035851	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-H+NaCOOH"	66.980151
"124564"	248.025102	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+2Cl"	69.938804
"563030"	354.552952	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+2Cl"	69.938804
"1036204"	141.497252	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2Cl"	69.938804
"1253957"	291.974585	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Br"	78.918885
"1317499"	294.030572	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Cl+HCOOH"	80.974872
"1332808"	316.012529	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Cl+NaCOOH"	102.956829
"922409"	326.041286	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M-H+CF3COOH"	112.985586
"1299113"	362.017964	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Cl+CF3COOH"	148.962264
"1373992"	178.043024	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H-2H2O"	-35.012676
"1389303"	196.053	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H-H2O"	-17.0027
"297499"	427.118676	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+H"	1.007276
"689433"	640.174376	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+H"	1.007276
"1356668"	214.062976	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H"	1.007276
"136850"	214.062976	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+2H"	2.014552
"578965"	320.590826	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+2H"	2.014552
"1052666"	107.535126	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2H"	2.014552
"219563"	143.044409333333	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+3H"	3.021828
"659244"	214.062976	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+3H"	3.021828
"1178100"	72.0258426666667	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+3H"	3.021828
"438823"	444.145223	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+NH4"	18.033823
"799820"	657.200923	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+NH4"	18.033823
"1694329"	231.089523	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+NH4"	18.033823
"344428"	222.5762495	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+H+NH4"	19.041099
"736122"	329.1040995	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+H+NH4"	19.041099
"1486298"	116.0483995	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H+NH4"	19.041099
"405707"	449.100618	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+Na"	22.989218
"765972"	662.156318	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+Na"	22.989218
"1612976"	236.044918	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Na"	22.989218
"326291"	225.053947	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+H+Na"	23.996494
"719807"	331.581797	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+H+Na"	23.996494
"1473626"	118.526097	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H+Na"	23.996494
"1061406"	79.3531566666667	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2H+Na"	25.00377
"1267459"	246.089186	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+CH3OH+H"	33.033486
"383849"	465.074558	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+K"	38.963158
"740473"	678.130258	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+K"	38.963158
"1544712"	252.018858	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+K"	38.963158
"304074"	233.040917	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+H+K"	39.970434
"697590"	339.568767	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+H+K"	39.970434
"1452504"	126.513067	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H+K"	39.970434
"247304"	468.145226	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+ACN+H"	42.033826
"1221109"	255.089526	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+ACN+H"	42.033826
"1202076"	128.048401	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+ACN+2H"	43.041102
"199321"	471.08256	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+2Na-H"	44.97116
"638517"	684.13826	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+2Na-H"	44.97116
"1138014"	258.02686	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2Na-H"	44.97116
"182399"	236.044918	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+2Na"	45.978436
"621959"	342.572768	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+2Na"	45.978436
"1126557"	129.517068	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2Na"	45.978436
"1406799"	86.6804706666667	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H+2Na"	46.985712
"1437823"	260.068446	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H+HCOOH"	47.012746
"233716"	241.07794	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+3H2O+2H"	56.04448
"1522144"	274.12049	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+IsoProp+H"	61.06479
"416360"	244.031888	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+Na+K"	61.952376
"784530"	350.559738	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+Na+K"	61.952376
"1680497"	137.504038	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Na+K"	61.952376
"266529"	490.127168	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+ACN+Na"	64.015768
"1240464"	277.071468	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+ACN+Na"	64.015768
"1727978"	277.094993	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+NH4+HCOOH"	64.039293
"1193531"	94.0077846666667	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+3Na"	68.967654
"1664839"	282.050388	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Na+HCOOH"	68.994688
"172223"	503.03044	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+2K-H"	76.91904
"612305"	716.08614	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+2K-H"	76.91904
"1097825"	289.97474	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2K-H"	76.91904
"152835"	252.018858	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"2M+2K"	77.926316
"594945"	358.546708	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"3M+2K"	77.926316
"1081644"	145.491008	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2K"	77.926316
"1113392"	291.989292	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2K+H"	78.933592
"1349056"	292.076907	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+DMSO+H"	79.021207
"1020010"	296.116076	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2ACN+H"	83.060376
"1538255"	297.109708	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+IsoProp+Na+H"	84.054008
"1003249"	148.561676	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+2ACN+2H"	84.067652
"1601033"	298.024328	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+K+HCOOH"	84.968628
"1428516"	328.055838	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+H+CF3COOH"	115.000138
"1162204"	169.074951	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+3ACN+2H"	125.094202
"1711995"	345.082385	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+NH4+CF3COOH"	132.026685
"1649099"	350.03778	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+Na+CF3COOH"	136.98208
"1574912"	366.01172	"C18950"	"Carbanolate"	"C10H12ClNO2"	"213.0557"	"M+K+CF3COOH"	152.95602
"801997"	259.0611	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M"	0
"976621"	240.04271	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-H2O-H"	-19.01839
"65957"	171.700124	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M-3H"	-3.021828
"509897"	258.053824	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M-3H"	-3.021828
"886603"	85.346424	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-3H"	-3.021828
"6271"	258.053824	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M-2H"	-2.014552
"449117"	387.584374	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M-2H"	-2.014552
"823638"	128.523274	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-2H"	-2.014552
"83628"	517.114924	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M-H"	-1.007276
"532312"	776.176024	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M-H"	-1.007276
"909020"	258.053824	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-H"	-1.007276
"61208"	534.141471	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M-2H+NH4"	16.019271
"500038"	793.202571	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M-2H+NH4"	16.019271
"877475"	275.080371	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-2H+NH4"	16.019271
"37354"	539.096866	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M-2H+Na"	20.974666
"475819"	798.157966	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M-2H+Na"	20.974666
"848569"	280.035766	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-2H+Na"	20.974666
"1618647"	280.035766	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Na-2H"	20.974666
"97494"	276.042163	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M-H+Cl"	33.962126
"535231"	405.572713	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M-H+Cl"	33.962126
"931660"	146.511613	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-H+Cl"	33.962126
"268759"	553.091602	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+Cl"	34.969402
"665928"	812.152702	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+Cl"	34.969402
"1288370"	294.030502	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Cl"	34.969402
"30914"	555.070806	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M-2H+K"	36.948606
"471156"	814.131906	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M-2H+K"	36.948606
"848338"	296.009706	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-2H+K"	36.948606
"1571217"	296.009706	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+K-2H"	36.948606
"956192"	304.059294	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-H+HCOOH"	44.998194
"376919"	563.120401	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+HCOOH-H"	44.998201
"361299"	577.136051	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+Hac-H"	59.013851
"1503841"	318.074951	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Hac-H"	59.013851
"967008"	326.041251	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-H+NaCOOH"	66.980151
"118103"	294.030502	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+2Cl"	69.938804
"563139"	423.561052	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+2Cl"	69.938804
"1035706"	164.499952	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2Cl"	69.938804
"1256135"	337.979985	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Br"	78.918885
"1318702"	340.035972	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Cl+HCOOH"	80.974872
"1333280"	362.017929	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Cl+NaCOOH"	102.956829
"924702"	372.046686	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M-H+CF3COOH"	112.985586
"1299224"	408.023364	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Cl+CF3COOH"	148.962264
"1371187"	224.048424	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H-2H2O"	-35.012676
"1385037"	242.0584	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H-H2O"	-17.0027
"286914"	519.129476	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+H"	1.007276
"686627"	778.190576	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+H"	1.007276
"1353498"	260.068376	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H"	1.007276
"138053"	260.068376	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+2H"	2.014552
"579683"	389.598926	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+2H"	2.014552
"1051890"	130.537826	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2H"	2.014552
"218696"	173.714676	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+3H"	3.021828
"659560"	260.068376	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+3H"	3.021828
"1176755"	87.360976	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+3H"	3.021828
"438811"	536.156023	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+NH4"	18.033823
"799566"	795.217123	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+NH4"	18.033823
"1694439"	277.094923	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+NH4"	18.033823
"341260"	268.5816495	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+H+NH4"	19.041099
"734776"	398.1121995	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+H+NH4"	19.041099
"1484221"	139.0510995	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H+NH4"	19.041099
"402901"	541.111418	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+Na"	22.989218
"768267"	800.172518	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+Na"	22.989218
"1609807"	282.050318	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Na"	22.989218
"324215"	271.059347	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+H+Na"	23.996494
"719917"	400.589897	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+H+Na"	23.996494
"1475925"	141.528797	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H+Na"	23.996494
"1060423"	94.68829	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2H+Na"	25.00377
"1264289"	292.094586	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+CH3OH+H"	33.033486
"387239"	557.085358	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+K"	38.963158
"749332"	816.146458	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+K"	38.963158
"1545915"	298.024258	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+K"	38.963158
"309654"	279.046317	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+H+K"	39.970434
"698796"	408.576867	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+H+K"	39.970434
"1456990"	149.515767	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H+K"	39.970434
"247778"	560.156026	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+ACN+H"	42.033826
"1222677"	301.094926	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+ACN+H"	42.033826
"1204374"	151.051101	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+ACN+2H"	43.041102
"197244"	563.09336	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+2Na-H"	44.97116
"639721"	822.15446	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+2Na-H"	44.97116
"1139219"	304.03226	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2Na-H"	44.97116
"183602"	282.050318	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+2Na"	45.978436
"622069"	411.580868	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+2Na"	45.978436
"1128490"	152.519768	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2Na"	45.978436
"1406909"	102.015604	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H+2Na"	46.985712
"1439026"	306.073846	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H+HCOOH"	47.012746
"232004"	287.08334	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+3H2O+2H"	56.04448
"1521161"	320.12589	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+IsoProp+H"	61.06479
"415377"	290.037288	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+Na+K"	61.952376
"782936"	419.567838	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+Na+K"	61.952376
"1680484"	160.506738	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Na+K"	61.952376
"266396"	582.137968	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+ACN+Na"	64.015768
"1240700"	323.076868	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+ACN+Na"	64.015768
"1727765"	323.100393	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+NH4+HCOOH"	64.039293
"1194046"	109.342918	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+3Na"	68.967654
"1665312"	328.055788	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Na+HCOOH"	68.994688
"171560"	595.04124	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+2K-H"	76.91904
"611847"	854.10234	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+2K-H"	76.91904
"1096842"	335.98014	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2K-H"	76.91904
"154037"	298.024258	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"2M+2K"	77.926316
"595540"	427.554808	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"3M+2K"	77.926316
"1081756"	168.493708	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2K"	77.926316
"1110952"	337.994692	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2K+H"	78.933592
"1350503"	338.082307	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+DMSO+H"	79.021207
"1020241"	342.121476	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2ACN+H"	83.060376
"1538001"	343.115108	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+IsoProp+Na+H"	84.054008
"1002630"	171.564376	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+2ACN+2H"	84.067652
"1602239"	344.029728	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+K+HCOOH"	84.968628
"1426074"	374.061238	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+H+CF3COOH"	115.000138
"1162557"	192.077651	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+3ACN+2H"	125.094202
"1712307"	391.087785	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+NH4+CF3COOH"	132.026685
"1648845"	396.04318	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+Na+CF3COOH"	136.98208
"1575022"	412.01712	"C18951"	"Cloethocarb"	"C11H14ClNO4"	"259.0611"	"M+K+CF3COOH"	152.95602
"814503"	222.1368	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M"	0
"985482"	203.11841	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-H2O-H"	-19.01839
"68256"	147.083924	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M-3H"	-3.021828
"516568"	221.129524	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M-3H"	-3.021828
"893276"	73.038324	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-3H"	-3.021828
"15016"	221.129524	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M-2H"	-2.014552
"449227"	332.197924	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M-2H"	-2.014552
"825934"	110.061124	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-2H"	-2.014552
"90304"	443.266324	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M-H"	-1.007276
"532911"	665.403124	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M-H"	-1.007276
"909741"	221.129524	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-H"	-1.007276
"61566"	460.292871	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M-2H+NH4"	16.019271
"500760"	682.429671	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M-2H+NH4"	16.019271
"877590"	238.156071	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-2H+NH4"	16.019271
"45121"	465.248266	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M-2H+Na"	20.974666
"485777"	687.385066	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M-2H+Na"	20.974666
"861024"	243.111466	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-2H+Na"	20.974666
"1627639"	243.111466	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Na-2H"	20.974666
"104168"	239.117863	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M-H+Cl"	33.962126
"538261"	350.186263	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M-H+Cl"	33.962126
"931775"	128.049463	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-H+Cl"	33.962126
"268263"	479.243002	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+Cl"	34.969402
"668226"	701.379802	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+Cl"	34.969402
"1282827"	257.106202	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Cl"	34.969402
"21010"	481.222206	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M-2H+K"	36.948606
"466037"	703.359006	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M-2H+K"	36.948606
"843840"	259.085406	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-2H+K"	36.948606
"1569514"	259.085406	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+K-2H"	36.948606
"955212"	267.134994	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-H+HCOOH"	44.998194
"374521"	489.271801	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+HCOOH-H"	44.998201
"358036"	503.287451	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+Hac-H"	59.013851
"1505412"	281.150651	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Hac-H"	59.013851
"970398"	289.116951	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-H+NaCOOH"	66.980151
"123320"	257.106202	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+2Cl"	69.938804
"557773"	368.174602	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+2Cl"	69.938804
"1033139"	146.037802	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2Cl"	69.938804
"1250527"	301.055685	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Br"	78.918885
"1312976"	303.111672	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Cl+HCOOH"	80.974872
"1329378"	325.093629	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Cl+NaCOOH"	102.956829
"919344"	335.122386	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M-H+CF3COOH"	112.985586
"1294959"	371.099064	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Cl+CF3COOH"	148.962264
"1368379"	187.124124	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H-2H2O"	-35.012676
"1384782"	205.1341	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H-H2O"	-17.0027
"284836"	445.280876	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+H"	1.007276
"683820"	667.417676	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+H"	1.007276
"1353608"	223.144076	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H"	1.007276
"131965"	223.144076	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+2H"	2.014552
"576995"	334.212476	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+2H"	2.014552
"1052366"	112.075676	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2H"	2.014552
"218927"	149.098476	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+3H"	3.021828
"659105"	223.144076	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+3H"	3.021828
"1176984"	75.052876	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+3H"	3.021828
"437579"	462.307423	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+NH4"	18.033823
"799554"	684.444223	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+NH4"	18.033823
"1695278"	240.170623	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+NH4"	18.033823
"343923"	231.6573495	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+H+NH4"	19.041099
"735615"	342.7257495	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+H+NH4"	19.041099
"1485426"	120.5889495	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H+NH4"	19.041099
"404106"	467.262818	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+Na"	22.989218
"768256"	689.399618	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+Na"	22.989218
"1616355"	245.126018	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Na"	22.989218
"326513"	234.135047	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+H+Na"	23.996494
"717838"	345.203447	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+H+Na"	23.996494
"1474940"	123.066647	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H+Na"	23.996494
"1063814"	82.38019	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2H+Na"	25.00377
"1267680"	255.170286	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+CH3OH+H"	33.033486
"391482"	483.236758	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+K"	38.963158
"746162"	705.373558	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+K"	38.963158
"1544932"	261.099958	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+K"	38.963158
"309764"	242.122017	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+H+K"	39.970434
"702186"	353.190417	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+H+K"	39.970434
"1456004"	131.053617	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H+K"	39.970434
"250566"	486.307426	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+ACN+H"	42.033826
"1224490"	264.170626	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+ACN+H"	42.033826
"1207763"	132.588951	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+ACN+2H"	43.041102
"202702"	489.24476	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+2Na-H"	44.97116
"641533"	711.38156	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+2Na-H"	44.97116
"1137141"	267.10796	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2Na-H"	44.97116
"180432"	245.126018	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+2Na"	45.978436
"622178"	356.194418	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+2Na"	45.978436
"1130551"	134.057618	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2Na"	45.978436
"1412976"	89.707504	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H+2Na"	46.985712
"1444490"	269.149546	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H+HCOOH"	47.012746
"234916"	250.15904	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+3H2O+2H"	56.04448
"1522974"	283.20159	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+IsoProp+H"	61.06479
"422797"	253.112988	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+Na+K"	61.952376
"785127"	364.181388	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+Na+K"	61.952376
"1680487"	142.044588	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Na+K"	61.952376
"265795"	508.289368	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+ACN+Na"	64.015768
"1239840"	286.152568	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+ACN+Na"	64.015768
"1727754"	286.176093	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+NH4+HCOOH"	64.039293
"1193837"	97.034818	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+3Na"	68.967654
"1664821"	291.131488	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Na+HCOOH"	68.994688
"171681"	521.19264	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+2K-H"	76.91904
"611363"	743.32944	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+2K-H"	76.91904
"1098052"	299.05584	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2K-H"	76.91904
"153420"	261.099958	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"2M+2K"	77.926316
"593345"	372.168358	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"3M+2K"	77.926316
"1081866"	150.031558	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2K"	77.926316
"1112890"	301.070392	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2K+H"	78.933592
"1350003"	301.158007	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+DMSO+H"	79.021207
"1020354"	305.197176	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2ACN+H"	83.060376
"1539210"	306.190808	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+IsoProp+Na+H"	84.054008
"1003832"	153.102226	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+2ACN+2H"	84.067652
"1601862"	307.105428	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+K+HCOOH"	84.968628
"1427277"	337.136938	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+H+CF3COOH"	115.000138
"1161939"	173.615501	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+3ACN+2H"	125.094202
"1712417"	354.163485	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+NH4+CF3COOH"	132.026685
"1648226"	359.11888	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+Na+CF3COOH"	136.98208
"1576225"	375.09282	"C18952"	"Mexacarbate;Zectran"	"C12H18N2O2"	"222.1368"	"M+K+CF3COOH"	152.95602
"803310"	223.0845	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M"	0
"975748"	204.06611	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-H2O-H"	-19.01839
"65086"	147.715724	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M-3H"	-3.021828
"513397"	222.077224	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M-3H"	-3.021828
"889010"	73.354224	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-3H"	-3.021828
"6491"	222.077224	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M-2H"	-2.014552
"449337"	333.619474	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M-2H"	-2.014552
"824950"	110.534974	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-2H"	-2.014552
"88227"	445.161724	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M-H"	-1.007276
"533261"	668.246224	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M-H"	-1.007276
"909604"	222.077224	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-H"	-1.007276
"61674"	462.188271	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M-2H+NH4"	16.019271
"501234"	685.272771	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M-2H+NH4"	16.019271
"876236"	239.103771	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-2H+NH4"	16.019271
"44866"	467.143666	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M-2H+Na"	20.974666
"481509"	690.228166	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M-2H+Na"	20.974666
"861134"	244.059166	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-2H+Na"	20.974666
"1627749"	244.059166	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Na-2H"	20.974666
"100998"	240.065563	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M-H+Cl"	33.962126
"538371"	351.607813	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M-H+Cl"	33.962126
"931885"	128.523313	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-H+Cl"	33.962126
"269710"	481.138402	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+Cl"	34.969402
"669428"	704.222902	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+Cl"	34.969402
"1277469"	258.053902	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Cl"	34.969402
"23307"	483.117606	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M-2H+K"	36.948606
"463961"	706.202106	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M-2H+K"	36.948606
"842856"	260.033106	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-2H+K"	36.948606
"1568531"	260.033106	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+K-2H"	36.948606
"954228"	268.082694	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-H+HCOOH"	44.998194
"374995"	491.167201	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+HCOOH-H"	44.998201
"357418"	505.182851	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+Hac-H"	59.013851
"1505156"	282.098351	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Hac-H"	59.013851
"968322"	290.064651	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-H+NaCOOH"	66.980151
"123065"	258.053902	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+2Cl"	69.938804
"556425"	369.596152	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+2Cl"	69.938804
"1034707"	146.511652	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2Cl"	69.938804
"1250637"	302.003385	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Br"	78.918885
"1313087"	304.059372	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Cl+HCOOH"	80.974872
"1329488"	326.041329	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Cl+NaCOOH"	102.956829
"919454"	336.070086	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M-H+CF3COOH"	112.985586
"1296162"	372.046764	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Cl+CF3COOH"	148.962264
"1368125"	188.071824	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H-2H2O"	-35.012676
"1384528"	206.0818	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H-H2O"	-17.0027
"283850"	447.176276	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+H"	1.007276
"683930"	670.260776	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+H"	1.007276
"1351528"	224.091776	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H"	1.007276
"132075"	224.091776	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+2H"	2.014552
"577834"	335.634026	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+2H"	2.014552
"1052476"	112.549526	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2H"	2.014552
"219521"	149.730276	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+3H"	3.021828
"659287"	224.091776	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+3H"	3.021828
"1176847"	75.368776	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+3H"	3.021828
"432585"	464.202823	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+NH4"	18.033823
"793580"	687.287323	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+NH4"	18.033823
"1696237"	241.118323	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+NH4"	18.033823
"344762"	232.6050495	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+H+NH4"	19.041099
"737061"	344.1472995	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+H+NH4"	19.041099
"1488816"	121.0627995	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H+NH4"	19.041099
"406766"	469.158218	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+Na"	22.989218
"767394"	692.242718	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+Na"	22.989218
"1616585"	246.073718	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Na"	22.989218
"327716"	235.082747	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+H+Na"	23.996494
"717949"	346.624997	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+H+Na"	23.996494
"1475050"	123.540497	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H+Na"	23.996494
"1063924"	82.69609	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2H+Na"	25.00377
"1267789"	256.117986	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+CH3OH+H"	33.033486
"392198"	485.132158	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+K"	38.963158
"742992"	708.216658	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+K"	38.963158
"1542855"	262.047658	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+K"	38.963158
"307687"	243.069717	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+H+K"	39.970434
"694643"	354.611967	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+H+K"	39.970434
"1457210"	131.527467	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H+K"	39.970434
"249822"	488.202826	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+ACN+H"	42.033826
"1224236"	265.118326	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+ACN+H"	42.033826
"1207144"	133.062801	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+ACN+2H"	43.041102
"203054"	491.14016	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+2Na-H"	44.97116
"643592"	714.22466	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+2Na-H"	44.97116
"1142354"	268.05566	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2Na-H"	44.97116
"181271"	246.073718	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+2Na"	45.978436
"627150"	357.615968	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+2Na"	45.978436
"1130784"	134.531468	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2Na"	45.978436
"1411506"	90.023404	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H+2Na"	46.985712
"1444603"	270.097246	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H+HCOOH"	47.012746
"235573"	251.10674	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+3H2O+2H"	56.04448
"1522477"	284.14929	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+IsoProp+H"	61.06479
"422906"	254.060688	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+Na+K"	61.952376
"785117"	365.602938	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+Na+K"	61.952376
"1679505"	142.518438	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Na+K"	61.952376
"266267"	510.184768	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+ACN+Na"	64.015768
"1240798"	287.100268	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+ACN+Na"	64.015768
"1727983"	287.123793	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+NH4+HCOOH"	64.039293
"1193217"	97.350718	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+3Na"	68.967654
"1664931"	292.079188	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Na+HCOOH"	68.994688
"172035"	523.08804	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+2K-H"	76.91904
"611594"	746.17254	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+2K-H"	76.91904
"1098162"	300.00354	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2K-H"	76.91904
"155353"	262.047658	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"2M+2K"	77.926316
"594912"	373.589908	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"3M+2K"	77.926316
"1081247"	150.505408	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2K"	77.926316
"1113001"	302.018092	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2K+H"	78.933592
"1349262"	302.105707	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+DMSO+H"	79.021207
"1019980"	306.144876	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2ACN+H"	83.060376
"1539197"	307.138508	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+IsoProp+Na+H"	84.054008
"1004673"	153.576076	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+2ACN+2H"	84.067652
"1600635"	308.053128	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+K+HCOOH"	84.968628
"1428847"	338.084638	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+H+CF3COOH"	115.000138
"1162723"	174.089351	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+3ACN+2H"	125.094202
"1712084"	355.111185	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+NH4+CF3COOH"	132.026685
"1648336"	360.06658	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+Na+CF3COOH"	136.98208
"1577428"	376.04052	"C18953"	"Dioxacarb"	"C11H13NO4"	"223.0845"	"M+K+CF3COOH"	152.95602
"805607"	197.1164	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M"	0
"982420"	178.09801	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-H2O-H"	-19.01839
"66289"	130.403657333333	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M-3H"	-3.021828
"514601"	196.109124	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M-3H"	-3.021828
"893496"	64.6981906666667	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-3H"	-3.021828
"13165"	196.109124	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M-2H"	-2.014552
"448353"	294.667324	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M-2H"	-2.014552
"827248"	97.550924	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-2H"	-2.014552
"87973"	393.225524	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M-H"	-1.007276
"532400"	590.341924	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M-H"	-1.007276
"909596"	196.109124	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-H"	-1.007276
"61541"	410.252071	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M-2H+NH4"	16.019271
"502440"	607.368471	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M-2H+NH4"	16.019271
"876349"	213.135671	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-2H+NH4"	16.019271
"40965"	415.207466	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M-2H+Na"	20.974666
"483806"	612.323866	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M-2H+Na"	20.974666
"861244"	218.091066	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-2H+Na"	20.974666
"1627859"	218.091066	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Na-2H"	20.974666
"101107"	214.097463	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M-H+Cl"	33.962126
"538480"	312.655663	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M-H+Cl"	33.962126
"931994"	115.539263	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-H+Cl"	33.962126
"272737"	429.202202	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+Cl"	34.969402
"662239"	626.318602	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+Cl"	34.969402
"1287551"	232.085802	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Cl"	34.969402
"25603"	431.181406	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M-2H+K"	36.948606
"465165"	628.297806	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M-2H+K"	36.948606
"844059"	234.065006	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-2H+K"	36.948606
"1567548"	234.065006	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+K-2H"	36.948606
"954338"	242.114594	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-H+HCOOH"	44.998194
"375713"	439.231001	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+HCOOH-H"	44.998201
"358621"	453.246651	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+Hac-H"	59.013851
"1505266"	256.130251	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Hac-H"	59.013851
"967339"	264.096551	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-H+NaCOOH"	66.980151
"122811"	232.085802	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+2Cl"	69.938804
"556900"	330.644002	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+2Cl"	69.938804
"1033359"	133.527602	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2Cl"	69.938804
"1250747"	276.035285	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Br"	78.918885
"1314290"	278.091272	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Cl+HCOOH"	80.974872
"1328505"	300.073229	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Cl+NaCOOH"	102.956829
"919564"	310.101986	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M-H+CF3COOH"	112.985586
"1296272"	346.078664	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Cl+CF3COOH"	148.962264
"1368599"	162.103724	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H-2H2O"	-35.012676
"1385002"	180.1137	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H-H2O"	-17.0027
"284324"	395.240076	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+H"	1.007276
"680760"	592.356476	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+H"	1.007276
"1353095"	198.123676	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H"	1.007276
"128905"	198.123676	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+2H"	2.014552
"577944"	296.681876	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+2H"	2.014552
"1052702"	99.565476	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2H"	2.014552
"219753"	132.418209333333	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+3H"	3.021828
"659314"	198.123676	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+3H"	3.021828
"1174891"	66.7127426666667	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+3H"	3.021828
"435972"	412.266623	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+NH4"	18.033823
"796966"	609.383023	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+NH4"	18.033823
"1690021"	215.150223	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+NH4"	18.033823
"342676"	206.6369495	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+H+NH4"	19.041099
"738137"	305.1951495	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+H+NH4"	19.041099
"1489655"	108.0787495	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H+NH4"	19.041099
"406510"	417.222018	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+Na"	22.989218
"767504"	614.338418	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+Na"	22.989218
"1617787"	220.105618	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Na"	22.989218
"327461"	209.114647	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+H+Na"	23.996494
"719152"	307.672847	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+H+Na"	23.996494
"1475160"	110.556447	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H+Na"	23.996494
"1065127"	74.0400566666667	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2H+Na"	25.00377
"1267899"	230.149886	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+CH3OH+H"	33.033486
"391215"	433.195958	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+K"	38.963158
"740915"	630.312358	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+K"	38.963158
"1549525"	236.079558	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+K"	38.963158
"307797"	217.101617	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+H+K"	39.970434
"695116"	315.659817	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+H+K"	39.970434
"1457320"	118.543417	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H+K"	39.970434
"248838"	436.266626	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+ACN+H"	42.033826
"1224224"	239.150226	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+ACN+H"	42.033826
"1205432"	120.078751	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+ACN+2H"	43.041102
"202313"	439.20396	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+2Na-H"	44.97116
"642117"	636.32036	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+2Na-H"	44.97116
"1144894"	242.08756	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2Na-H"	44.97116
"180652"	220.105618	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+2Na"	45.978436
"626409"	318.663818	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+2Na"	45.978436
"1130408"	121.547418	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2Na"	45.978436
"1410522"	81.3673706666667	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H+2Na"	46.985712
"1444956"	244.129146	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H+HCOOH"	47.012746
"234649"	225.13864	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+3H2O+2H"	56.04448
"1522345"	258.18119	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+IsoProp+H"	61.06479
"423016"	228.092588	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+Na+K"	61.952376
"784740"	326.650788	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+Na+K"	61.952376
"1679857"	129.534388	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Na+K"	61.952376
"266621"	458.248568	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+ACN+Na"	64.015768
"1240426"	261.132168	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+ACN+Na"	64.015768
"1727852"	261.155693	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+NH4+HCOOH"	64.039293
"1193203"	88.6946846666667	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+3Na"	68.967654
"1665039"	266.111088	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Na+HCOOH"	68.994688
"170563"	471.15184	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+2K-H"	76.91904
"610487"	668.26824	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+2K-H"	76.91904
"1098274"	274.03544	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2K-H"	76.91904
"155341"	236.079558	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"2M+2K"	77.926316
"595021"	334.637758	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"3M+2K"	77.926316
"1082330"	137.521358	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2K"	77.926316
"1113473"	276.049992	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2K+H"	78.933592
"1350103"	276.137607	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+DMSO+H"	79.021207
"1020942"	280.176776	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2ACN+H"	83.060376
"1538337"	281.170408	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+IsoProp+Na+H"	84.054008
"1003812"	140.592026	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+2ACN+2H"	84.067652
"1600987"	282.085028	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+K+HCOOH"	84.968628
"1428588"	312.116538	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+H+CF3COOH"	115.000138
"1160698"	161.105301	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+3ACN+2H"	125.094202
"1712072"	329.143085	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+NH4+CF3COOH"	132.026685
"1644075"	334.09848	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+Na+CF3COOH"	136.98208
"1576445"	350.07242	"C18954"	"Nitrilacarb"	"C9H15N3O2"	"197.1164"	"M+K+CF3COOH"	152.95602
"804623"	277.1678	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M"	0
"980343"	258.14941	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-H2O-H"	-19.01839
"67491"	183.771257333333	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M-3H"	-3.021828
"512524"	276.160524	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M-3H"	-3.021828
"895430"	91.3819906666667	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-3H"	-3.021828
"15301"	276.160524	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M-2H"	-2.014552
"449556"	414.744424	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M-2H"	-2.014552
"828451"	137.576624	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-2H"	-2.014552
"88446"	553.328324	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M-H"	-1.007276
"532875"	830.496124	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M-H"	-1.007276
"910312"	276.160524	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-H"	-1.007276
"62137"	570.354871	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M-2H+NH4"	16.019271
"502513"	847.522671	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M-2H+NH4"	16.019271
"878281"	293.187071	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-2H+NH4"	16.019271
"41075"	575.310266	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M-2H+Na"	20.974666
"484645"	852.478066	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M-2H+Na"	20.974666
"860990"	298.142466	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-2H+Na"	20.974666
"1627969"	298.142466	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Na-2H"	20.974666
"102310"	294.148863	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M-H+Cl"	33.962126
"538590"	432.732763	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M-H+Cl"	33.962126
"932104"	155.564963	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-H+Cl"	33.962126
"272847"	589.305002	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+Cl"	34.969402
"661984"	866.472802	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+Cl"	34.969402
"1278042"	312.137202	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Cl"	34.969402
"29480"	591.284206	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M-2H+K"	36.948606
"470905"	868.452006	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M-2H+K"	36.948606
"843075"	314.116406	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-2H+K"	36.948606
"1568751"	314.116406	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+K-2H"	36.948606
"954446"	322.165994	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-H+HCOOH"	44.998194
"375580"	599.333801	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+HCOOH-H"	44.998201
"359824"	613.349451	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+Hac-H"	59.013851
"1505741"	336.181651	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Hac-H"	59.013851
"969635"	344.147951	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-H+NaCOOH"	66.980151
"119637"	312.137202	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+2Cl"	69.938804
"557010"	450.721102	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+2Cl"	69.938804
"1033833"	173.553302	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2Cl"	69.938804
"1249764"	356.086685	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Br"	78.918885
"1313307"	358.142672	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Cl+HCOOH"	80.974872
"1328615"	380.124629	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Cl+NaCOOH"	102.956829
"920767"	390.153386	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M-H+CF3COOH"	112.985586
"1297475"	426.130064	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Cl+CF3COOH"	148.962264
"1369073"	242.155124	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H-2H2O"	-35.012676
"1385112"	260.1651	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H-H2O"	-17.0027
"284799"	555.342876	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+H"	1.007276
"680870"	832.510676	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+H"	1.007276
"1352840"	278.175076	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H"	1.007276
"126700"	278.175076	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+2H"	2.014552
"575138"	416.758976	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+2H"	2.014552
"1052410"	139.591176	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2H"	2.014552
"212934"	185.785809333333	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+3H"	3.021828
"655776"	278.175076	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+3H"	3.021828
"1172814"	93.3965426666667	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+3H"	3.021828
"433895"	572.369423	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+NH4"	18.033823
"797076"	849.537223	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+NH4"	18.033823
"1690131"	295.201623	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+NH4"	18.033823
"341693"	286.6883495	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+H+NH4"	19.041099
"735209"	425.2722495	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+H+NH4"	19.041099
"1489033"	148.1044495	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H+NH4"	19.041099
"402247"	577.324818	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+Na"	22.989218
"762149"	854.492618	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+Na"	22.989218
"1611337"	300.157018	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Na"	22.989218
"325748"	289.166047	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+H+Na"	23.996494
"717075"	427.749947	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+H+Na"	23.996494
"1473082"	150.582147	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H+Na"	23.996494
"1063779"	100.723856666667	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2H+Na"	25.00377
"1268738"	310.201286	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+CH3OH+H"	33.033486
"387679"	593.298758	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+K"	38.963158
"739439"	870.466558	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+K"	38.963158
"1542343"	316.130958	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+K"	38.963158
"305719"	297.153017	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+H+K"	39.970434
"693403"	435.736917	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+H+K"	39.970434
"1450869"	158.569117	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H+K"	39.970434
"246032"	596.369426	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+ACN+H"	42.033826
"1222022"	319.201626	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+ACN+H"	42.033826
"1204813"	160.104451	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+ACN+2H"	43.041102
"199506"	599.30676	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+2Na-H"	44.97116
"639067"	876.47456	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+2Na-H"	44.97116
"1142210"	322.13896	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2Na-H"	44.97116
"178575"	300.157018	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+2Na"	45.978436
"623602"	438.740918	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+2Na"	45.978436
"1131043"	161.573118	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2Na"	45.978436
"1409539"	108.051170666667	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H+2Na"	46.985712
"1444697"	324.180546	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H+HCOOH"	47.012746
"235241"	305.19004	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+3H2O+2H"	56.04448
"1521603"	338.23259	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+IsoProp+H"	61.06479
"423853"	308.143988	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+Na+K"	61.952376
"785476"	446.727888	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+Na+K"	61.952376
"1681208"	169.560088	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Na+K"	61.952376
"266606"	618.351368	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+ACN+Na"	64.015768
"1240043"	341.183568	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+ACN+Na"	64.015768
"1728082"	341.207093	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+NH4+HCOOH"	64.039293
"1193556"	115.378484666667	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+3Na"	68.967654
"1664540"	346.162488	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Na+HCOOH"	68.994688
"170671"	631.25464	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+2K-H"	76.91904
"610598"	908.42244	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+2K-H"	76.91904
"1098019"	354.08684	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2K-H"	76.91904
"153749"	316.130958	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"2M+2K"	77.926316
"595376"	454.714858	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"3M+2K"	77.926316
"1082441"	177.547058	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2K"	77.926316
"1113949"	356.101392	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2K+H"	78.933592
"1349361"	356.189007	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+DMSO+H"	79.021207
"1019469"	360.228176	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2ACN+H"	83.060376
"1537717"	361.221808	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+IsoProp+Na+H"	84.054008
"1003679"	180.617726	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+2ACN+2H"	84.067652
"1598663"	362.136428	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+K+HCOOH"	84.968628
"1428333"	392.167938	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+H+CF3COOH"	115.000138
"1161900"	201.131001	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+3ACN+2H"	125.094202
"1712181"	409.194485	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+NH4+CF3COOH"	132.026685
"1643092"	414.14988	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+Na+CF3COOH"	136.98208
"1576555"	430.12382	"C18955"	"Promacyl"	"C16H23NO3"	"277.1678"	"M+K+CF3COOH"	152.95602
"802547"	207.1259	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M"	0
"988716"	188.10751	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-H2O-H"	-19.01839
"69788"	137.076657333333	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M-3H"	-3.021828
"513727"	206.118624	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M-3H"	-3.021828
"894688"	68.0346906666667	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-3H"	-3.021828
"13385"	206.118624	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M-2H"	-2.014552
"450759"	309.681574	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M-2H"	-2.014552
"829290"	102.555674	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-2H"	-2.014552
"89649"	413.244524	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M-H"	-1.007276
"533927"	620.370424	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M-H"	-1.007276
"911160"	206.118624	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-H"	-1.007276
"62688"	430.271071	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M-2H+NH4"	16.019271
"501319"	637.396971	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M-2H+NH4"	16.019271
"879120"	223.145171	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-2H+NH4"	16.019271
"42278"	435.226466	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M-2H+Na"	20.974666
"484391"	642.352366	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M-2H+Na"	20.974666
"858548"	228.100566	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-2H+Na"	20.974666
"1624799"	228.100566	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Na-2H"	20.974666
"99140"	224.106963	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M-H+Cl"	33.962126
"541980"	327.669913	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M-H+Cl"	33.962126
"933308"	120.544013	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-H+Cl"	33.962126
"272957"	449.221202	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+Cl"	34.969402
"663191"	656.347102	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+Cl"	34.969402
"1278877"	242.095302	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Cl"	34.969402
"31259"	451.200406	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M-2H+K"	36.948606
"470483"	658.326306	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M-2H+K"	36.948606
"845010"	244.074506	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-2H+K"	36.948606
"1567767"	244.074506	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+K-2H"	36.948606
"958246"	252.124094	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-H+HCOOH"	44.998194
"374958"	459.250001	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+HCOOH-H"	44.998201
"359936"	473.265651	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+Hac-H"	59.013851
"1506215"	266.139751	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Hac-H"	59.013851
"969744"	274.106051	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-H+NaCOOH"	66.980151
"123026"	242.095302	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+2Cl"	69.938804
"562226"	345.658252	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+2Cl"	69.938804
"1035037"	138.532352	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2Cl"	69.938804
"1248780"	286.044785	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Br"	78.918885
"1313417"	288.100772	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Cl+HCOOH"	80.974872
"1332007"	310.082729	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Cl+NaCOOH"	102.956829
"923065"	320.111486	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M-H+CF3COOH"	112.985586
"1297585"	356.088164	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Cl+CF3COOH"	148.962264
"1368819"	172.113224	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H-2H2O"	-35.012676
"1384494"	190.1232	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H-H2O"	-17.0027
"284909"	415.259076	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+H"	1.007276
"680980"	622.384976	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+H"	1.007276
"1356234"	208.133176	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H"	1.007276
"131311"	208.133176	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+2H"	2.014552
"576341"	311.696126	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+2H"	2.014552
"1050976"	104.570226	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2H"	2.014552
"215230"	139.091209333333	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+3H"	3.021828
"651511"	208.133176	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+3H"	3.021828
"1177663"	70.0492426666667	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+3H"	3.021828
"437650"	432.285623	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+NH4"	18.033823
"797186"	639.411523	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+NH4"	18.033823
"1693155"	225.159723	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+NH4"	18.033823
"345083"	216.6464495	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+H+NH4"	19.041099
"737384"	320.2093995	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+H+NH4"	19.041099
"1491333"	113.0834995	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H+NH4"	19.041099
"407460"	437.241018	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+Na"	22.989218
"765539"	644.366918	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+Na"	22.989218
"1613634"	230.115118	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Na"	22.989218
"326953"	219.124147	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+H+Na"	23.996494
"719372"	322.687097	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+H+Na"	23.996494
"1475016"	115.561197	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H+Na"	23.996494
"1065347"	77.3765566666667	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2H+Na"	25.00377
"1271400"	240.159386	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+CH3OH+H"	33.033486
"386694"	453.214958	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+K"	38.963158
"744417"	660.340858	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+K"	38.963158
"1548655"	246.089058	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+K"	38.963158
"305832"	227.111117	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+H+K"	39.970434
"698252"	330.674067	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+H+K"	39.970434
"1450979"	123.548167	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H+K"	39.970434
"243955"	456.285626	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+ACN+H"	42.033826
"1221039"	249.159726	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+ACN+H"	42.033826
"1206383"	125.083501	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+ACN+2H"	43.041102
"198887"	459.22296	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+2Na-H"	44.97116
"642824"	666.34886	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+2Na-H"	44.97116
"1140498"	252.09706	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2Na-H"	44.97116
"176862"	230.115118	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+2Na"	45.978436
"622254"	333.678068	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+2Na"	45.978436
"1129769"	126.552168	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2Na"	45.978436
"1414155"	84.7038706666667	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H+2Na"	46.985712
"1445458"	254.138646	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H+HCOOH"	47.012746
"235664"	235.14814	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+3H2O+2H"	56.04448
"1524143"	268.19069	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+IsoProp+H"	61.06479
"423929"	238.102088	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+Na+K"	61.952376
"785321"	341.665038	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+Na+K"	61.952376
"1681080"	134.539138	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Na+K"	61.952376
"266998"	478.267568	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+ACN+Na"	64.015768
"1241167"	271.141668	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+ACN+Na"	64.015768
"1728191"	271.165193	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+NH4+HCOOH"	64.039293
"1193910"	92.0311846666667	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+3Na"	68.967654
"1664531"	276.120588	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Na+HCOOH"	68.994688
"171873"	491.17084	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+2K-H"	76.91904
"611432"	698.29674	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+2K-H"	76.91904
"1097399"	284.04494	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2K-H"	76.91904
"153857"	246.089058	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"2M+2K"	77.926316
"596702"	349.652008	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"3M+2K"	77.926316
"1083157"	142.526108	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2K"	77.926316
"1114789"	286.059492	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2K+H"	78.933592
"1349959"	286.147107	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+DMSO+H"	79.021207
"1019702"	290.186276	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2ACN+H"	83.060376
"1539408"	291.179908	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+IsoProp+Na+H"	84.054008
"1005006"	145.596776	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+2ACN+2H"	84.067652
"1602506"	292.094528	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+K+HCOOH"	84.968628
"1428809"	322.126038	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+H+CF3COOH"	115.000138
"1162662"	166.110051	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+3ACN+2H"	125.094202
"1712291"	339.152585	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+NH4+CF3COOH"	132.026685
"1646482"	344.10798	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+Na+CF3COOH"	136.98208
"1578852"	360.08192	"C18956"	"Promecarb"	"C12H17NO2"	"207.1259"	"M+K+CF3COOH"	152.95602
"802657"	193.1103	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M"	0
"986031"	174.09191	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-H2O-H"	-19.01839
"70992"	127.732924	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M-3H"	-3.021828
"513836"	192.103024	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M-3H"	-3.021828
"890546"	63.362824	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-3H"	-3.021828
"12400"	192.103024	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M-2H"	-2.014552
"450869"	288.658174	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M-2H"	-2.014552
"826483"	95.547874	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-2H"	-2.014552
"86480"	385.213324	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M-H"	-1.007276
"531513"	578.323624	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M-H"	-1.007276
"906036"	192.103024	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-H"	-1.007276
"59681"	402.239871	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M-2H+NH4"	16.019271
"501429"	595.350171	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M-2H+NH4"	16.019271
"876678"	209.129571	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-2H+NH4"	16.019271
"42391"	407.195266	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M-2H+Na"	20.974666
"484502"	600.305566	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M-2H+Na"	20.974666
"859388"	214.084966	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-2H+Na"	20.974666
"1624911"	214.084966	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Na-2H"	20.974666
"100347"	210.091363	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M-H+Cl"	33.962126
"538811"	306.646513	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M-H+Cl"	33.962126
"931233"	113.536213	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-H+Cl"	33.962126
"270883"	421.190002	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+Cl"	34.969402
"660629"	614.300302	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+Cl"	34.969402
"1280087"	228.079702	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Cl"	34.969402
"30428"	423.169206	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M-2H+K"	36.948606
"468411"	616.279506	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M-2H+K"	36.948606
"845483"	230.058906	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-2H+K"	36.948606
"1568971"	230.058906	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+K-2H"	36.948606
"955760"	238.108494	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-H+HCOOH"	44.998194
"376367"	431.218801	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+HCOOH-H"	44.998201
"357860"	445.234451	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+Hac-H"	59.013851
"1505232"	252.124151	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Hac-H"	59.013851
"972051"	260.090451	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-H+NaCOOH"	66.980151
"124237"	228.079702	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+2Cl"	69.938804
"563069"	324.634852	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+2Cl"	69.938804
"1029312"	131.524552	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2Cl"	69.938804
"1251077"	272.029185	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Br"	78.918885
"1311341"	274.085172	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Cl+HCOOH"	80.974872
"1325556"	296.067129	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Cl+NaCOOH"	102.956829
"920987"	306.095886	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M-H+CF3COOH"	112.985586
"1293322"	342.072564	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Cl+CF3COOH"	148.962264
"1373671"	158.097624	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H-2H2O"	-35.012676
"1395543"	176.1076	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H-H2O"	-17.0027
"293042"	387.227876	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+H"	1.007276
"684372"	580.338176	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+H"	1.007276
"1359626"	194.117576	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H"	1.007276
"126682"	194.117576	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+2H"	2.014552
"576451"	290.672726	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+2H"	2.014552
"1051086"	97.562426	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2H"	2.014552
"219723"	129.747476	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+3H"	3.021828
"658550"	194.117576	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+3H"	3.021828
"1175951"	65.377376	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+3H"	3.021828
"434119"	404.254423	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+NH4"	18.033823
"797300"	597.364723	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+NH4"	18.033823
"1695821"	211.144123	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+NH4"	18.033823
"344106"	202.6308495	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+H+NH4"	19.041099
"736529"	299.1859995	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+H+NH4"	19.041099
"1488160"	106.0756995	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H+NH4"	19.041099
"404656"	409.209818	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+Na"	22.989218
"766377"	602.320118	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+Na"	22.989218
"1614842"	216.099518	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Na"	22.989218
"324877"	205.108547	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+H+Na"	23.996494
"720090"	301.663697	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+H+Na"	23.996494
"1472209"	108.553397	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H+Na"	23.996494
"1061082"	72.70469	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2H+Na"	25.00377
"1266045"	226.143786	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+CH3OH+H"	33.033486
"384621"	425.183758	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+K"	38.963158
"739789"	618.294058	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+K"	38.963158
"1544390"	232.073458	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+K"	38.963158
"302296"	213.095517	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+H+K"	39.970434
"694353"	309.650667	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+H+K"	39.970434
"1449997"	116.540367	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H+K"	39.970434
"238598"	428.254426	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+ACN+H"	42.033826
"1213494"	235.144126	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+ACN+H"	42.033826
"1197745"	118.075701	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+ACN+2H"	43.041102
"193531"	431.19176	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+2Na-H"	44.97116
"630905"	624.30206	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+2Na-H"	44.97116
"1138786"	238.08146	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2Na-H"	44.97116
"182078"	216.099518	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+2Na"	45.978436
"622731"	312.654668	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+2Na"	45.978436
"1131302"	119.544368	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2Na"	45.978436
"1413858"	80.032004	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H+2Na"	46.985712
"1444067"	240.123046	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H+HCOOH"	47.012746
"235677"	221.13254	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+3H2O+2H"	56.04448
"1523934"	254.17509	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+IsoProp+H"	61.06479
"424177"	224.086488	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+Na+K"	61.952376
"784703"	320.641638	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+Na+K"	61.952376
"1679213"	127.531338	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Na+K"	61.952376
"266823"	450.236368	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+ACN+Na"	64.015768
"1240871"	257.126068	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+ACN+Na"	64.015768
"1727897"	257.149593	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+NH4+HCOOH"	64.039293
"1193856"	87.359318	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+3Na"	68.967654
"1664389"	262.104988	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Na+HCOOH"	68.994688
"172345"	463.13964	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+2K-H"	76.91904
"610446"	656.24994	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+2K-H"	76.91904
"1097874"	270.02934	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2K-H"	76.91904
"154695"	232.073458	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"2M+2K"	77.926316
"596205"	328.628608	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"3M+2K"	77.926316
"1083754"	135.518308	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2K"	77.926316
"1115023"	272.043892	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2K+H"	78.933592
"1348731"	272.131507	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+DMSO+H"	79.021207
"1020543"	276.170676	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2ACN+H"	83.060376
"1538787"	277.164308	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+IsoProp+Na+H"	84.054008
"1005607"	138.588976	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+2ACN+2H"	84.067652
"1602170"	278.078928	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+K+HCOOH"	84.968628
"1429611"	308.110438	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+H+CF3COOH"	115.000138
"1162488"	159.102251	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+3ACN+2H"	125.094202
"1712036"	325.136985	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+NH4+CF3COOH"	132.026685
"1646592"	330.09238	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+Na+CF3COOH"	136.98208
"1575682"	346.06632	"C18957"	"235-Trimethacarb"	"C11H15NO2"	"193.1103"	"M+K+CF3COOH"	152.95602
"804953"	389.7706	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M"	0
"986141"	370.75221	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-H2O-H"	-19.01839
"71102"	258.839790666667	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M-3H"	-3.021828
"507379"	388.763324	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M-3H"	-3.021828
"888463"	128.916257333333	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-3H"	-3.021828
"1446"	388.763324	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M-2H"	-2.014552
"453166"	583.648624	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M-2H"	-2.014552
"825498"	193.878024	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-2H"	-2.014552
"87683"	778.533924	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M-H"	-1.007276
"531258"	1168.304524	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M-H"	-1.007276
"906143"	388.763324	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-H"	-1.007276
"60884"	795.560471	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M-2H+NH4"	16.019271
"500079"	1185.331071	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M-2H+NH4"	16.019271
"875694"	405.789871	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-2H+NH4"	16.019271
"43958"	800.515866	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M-2H+Na"	20.974666
"483153"	1190.286466	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M-2H+Na"	20.974666
"861321"	410.745266	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-2H+Na"	20.974666
"1627208"	410.745266	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Na-2H"	20.974666
"102644"	406.751663	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M-H+Cl"	33.962126
"538921"	601.636963	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M-H+Cl"	33.962126
"930248"	211.866363	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-H+Cl"	33.962126
"268440"	814.510602	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+Cl"	34.969402
"660535"	1204.281202	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+Cl"	34.969402
"1282018"	424.740002	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Cl"	34.969402
"31026"	816.489806	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M-2H+K"	36.948606
"469493"	1206.260406	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M-2H+K"	36.948606
"844499"	426.719206	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-2H+K"	36.948606
"1566893"	426.719206	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+K-2H"	36.948606
"957936"	434.768794	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-H+HCOOH"	44.998194
"374086"	824.539401	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+HCOOH-H"	44.998201
"355783"	838.555051	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+Hac-H"	59.013851
"1504248"	448.784451	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Hac-H"	59.013851
"972155"	456.750751	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-H+NaCOOH"	66.980151
"121793"	424.740002	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+2Cl"	69.938804
"561717"	619.625302	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+2Cl"	69.938804
"1030515"	229.854702	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2Cl"	69.938804
"1251188"	468.689485	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Br"	78.918885
"1316553"	470.745472	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Cl+HCOOH"	80.974872
"1326759"	492.727429	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Cl+NaCOOH"	102.956829
"920004"	502.756186	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M-H+CF3COOH"	112.985586
"1292703"	538.732864	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Cl+CF3COOH"	148.962264
"1372688"	354.757924	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H-2H2O"	-35.012676
"1395653"	372.7679	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H-H2O"	-17.0027
"293152"	780.548476	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+H"	1.007276
"685575"	1170.319076	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+H"	1.007276
"1359736"	390.777876	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H"	1.007276
"128249"	390.777876	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+2H"	2.014552
"577654"	585.663176	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+2H"	2.014552
"1048644"	195.892576	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2H"	2.014552
"217641"	260.854342666667	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+3H"	3.021828
"659024"	390.777876	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+3H"	3.021828
"1175332"	130.930809333333	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+3H"	3.021828
"435322"	797.575023	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+NH4"	18.033823
"796316"	1187.345623	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+NH4"	18.033823
"1694838"	407.804423	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+NH4"	18.033823
"344215"	399.2911495	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+H+NH4"	19.041099
"736634"	594.1764495	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+H+NH4"	19.041099
"1488271"	204.4058495	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H+NH4"	19.041099
"405856"	802.530418	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+Na"	22.989218
"766486"	1192.301018	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+Na"	22.989218
"1617499"	412.759818	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Na"	22.989218
"327900"	401.768847	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+H+Na"	23.996494
"716310"	596.654147	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+H+Na"	23.996494
"1469040"	206.883547	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H+Na"	23.996494
"1061191"	138.258123333333	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2H+Na"	25.00377
"1265060"	422.804086	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+CH3OH+H"	33.033486
"380355"	818.504358	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+K"	38.963158
"747919"	1208.274958	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+K"	38.963158
"1546687"	428.733758	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+K"	38.963158
"308238"	409.755817	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+H+K"	39.970434
"698474"	604.641117	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+H+K"	39.970434
"1452294"	214.870517	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H+K"	39.970434
"244177"	821.575026	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+ACN+H"	42.033826
"1212876"	431.804426	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+ACN+H"	42.033826
"1198585"	216.405851	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+ACN+2H"	43.041102
"198016"	824.51236	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+2Na-H"	44.97116
"637576"	1214.28296	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+2Na-H"	44.97116
"1139990"	434.74176	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2Na-H"	44.97116
"182188"	412.759818	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+2Na"	45.978436
"622841"	607.645118	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+2Na"	45.978436
"1129997"	217.874518	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2Na"	45.978436
"1413157"	145.585437333333	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H+2Na"	46.985712
"1443816"	436.783346	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H+HCOOH"	47.012746
"234605"	417.79284	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+3H2O+2H"	56.04448
"1522666"	450.83539	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+IsoProp+H"	61.06479
"423815"	420.746788	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+Na+K"	61.952376
"784813"	615.632088	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+Na+K"	61.952376
"1679686"	225.861488	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Na+K"	61.952376
"266859"	843.556968	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+ACN+Na"	64.015768
"1240822"	453.786368	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+ACN+Na"	64.015768
"1727804"	453.809893	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+NH4+HCOOH"	64.039293
"1194130"	152.912751333333	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+3Na"	68.967654
"1662312"	458.765288	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Na+HCOOH"	68.994688
"171363"	856.46024	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+2K-H"	76.91904
"609828"	1246.23084	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+2K-H"	76.91904
"1096159"	466.68964	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2K-H"	76.91904
"154805"	428.733758	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"2M+2K"	77.926316
"596885"	623.619058	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"3M+2K"	77.926316
"1082771"	233.848458	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2K"	77.926316
"1115133"	468.704192	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2K+H"	78.933592
"1348721"	468.791807	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+DMSO+H"	79.021207
"1020654"	472.830976	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2ACN+H"	83.060376
"1539832"	473.824608	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+IsoProp+Na+H"	84.054008
"1005552"	236.919126	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+2ACN+2H"	84.067652
"1600819"	474.739228	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+K+HCOOH"	84.968628
"1428303"	504.770738	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+H+CF3COOH"	115.000138
"1162112"	257.432401	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+3ACN+2H"	125.094202
"1712148"	521.797285	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+NH4+CF3COOH"	132.026685
"1644515"	526.75268	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+Na+CF3COOH"	136.98208
"1575792"	542.72662	"C18958"	"Bromocyclen;Bromociclen"	"C8H5BrCl6"	"389.7706"	"M+K+CF3COOH"	152.95602
"814907"	393.7978	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M"	0
"982972"	374.77941	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-H2O-H"	-19.01839
"69026"	261.524590666667	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M-3H"	-3.021828
"511866"	392.790524	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M-3H"	-3.021828
"885294"	130.258657333333	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-3H"	-3.021828
"1073"	392.790524	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M-2H"	-2.014552
"453276"	589.689424	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M-2H"	-2.014552
"831812"	195.891624	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-2H"	-2.014552
"93751"	786.588324	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M-H"	-1.007276
"530273"	1180.386124	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M-H"	-1.007276
"909898"	392.790524	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-H"	-1.007276
"59172"	803.614871	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M-2H+NH4"	16.019271
"502017"	1197.412671	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M-2H+NH4"	16.019271
"877991"	409.817071	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-2H+NH4"	16.019271
"43703"	808.570266	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M-2H+Na"	20.974666
"484356"	1202.368066	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M-2H+Na"	20.974666
"855596"	414.772466	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-2H+Na"	20.974666
"1621848"	414.772466	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Na-2H"	20.974666
"101657"	410.778863	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M-H+Cl"	33.962126
"534363"	607.677763	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M-H+Cl"	33.962126
"928413"	213.879963	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-H+Cl"	33.962126
"267814"	822.565002	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+Cl"	34.969402
"660356"	1216.362802	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+Cl"	34.969402
"1282128"	428.767202	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Cl"	34.969402
"30286"	824.544206	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M-2H+K"	36.948606
"469723"	1218.342006	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M-2H+K"	36.948606
"845700"	430.746406	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-2H+K"	36.948606
"1556795"	430.746406	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+K-2H"	36.948606
"951603"	438.795994	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-H+HCOOH"	44.998194
"367631"	832.593801	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+HCOOH-H"	44.998201
"352608"	846.609451	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+Hac-H"	59.013851
"1499255"	452.811651	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Hac-H"	59.013851
"965702"	460.777951	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-H+NaCOOH"	66.980151
"123726"	428.767202	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+2Cl"	69.938804
"557454"	625.666102	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+2Cl"	69.938804
"1032813"	231.868302	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2Cl"	69.938804
"1250205"	472.716685	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Br"	78.918885
"1312654"	474.772672	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Cl+HCOOH"	80.974872
"1324317"	496.754629	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Cl+NaCOOH"	102.956829
"915375"	506.783386	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M-H+CF3COOH"	112.985586
"1293544"	542.760064	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Cl+CF3COOH"	148.962264
"1373163"	358.785124	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H-2H2O"	-35.012676
"1392482"	376.7951	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H-H2O"	-17.0027
"289982"	788.602876	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+H"	1.007276
"681310"	1182.400676	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+H"	1.007276
"1358023"	394.805076	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H"	1.007276
"130547"	394.805076	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+2H"	2.014552
"571202"	591.703976	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+2H"	2.014552
"1050941"	197.906176	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2H"	2.014552
"215933"	263.539142666667	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+3H"	3.021828
"656225"	394.805076	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+3H"	3.021828
"1175805"	132.273209333333	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+3H"	3.021828
"433243"	805.629423	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+NH4"	18.033823
"798617"	1199.427223	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+NH4"	18.033823
"1693858"	411.831623	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+NH4"	18.033823
"344326"	403.3183495	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+H+NH4"	19.041099
"735289"	600.2172495	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+H+NH4"	19.041099
"1486192"	206.4194495	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H+NH4"	19.041099
"404872"	810.584818	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+Na"	22.989218
"761492"	1204.382618	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+Na"	22.989218
"1613966"	416.787018	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Na"	22.989218
"326188"	405.796047	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+H+Na"	23.996494
"718608"	602.694947	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+H+Na"	23.996494
"1470243"	208.897147	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H+Na"	23.996494
"1059113"	139.600523333333	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2H+Na"	25.00377
"1267350"	426.831286	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+CH3OH+H"	33.033486
"388114"	826.558758	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+K"	38.963158
"746921"	1220.356558	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+K"	38.963158
"1545703"	432.760958	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+K"	38.963158
"307620"	413.783017	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+H+K"	39.970434
"701864"	610.681917	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+H+K"	39.970434
"1450582"	216.884117	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H+K"	39.970434
"239913"	829.629426	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+ACN+H"	42.033826
"1214080"	435.831626	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+ACN+H"	42.033826
"1199787"	218.419451	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+ACN+2H"	43.041102
"202138"	832.56676	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+2Na-H"	44.97116
"640239"	1226.36456	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+2Na-H"	44.97116
"1143016"	438.76896	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2Na-H"	44.97116
"185950"	416.787018	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+2Na"	45.978436
"626238"	613.685918	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+2Na"	45.978436
"1127918"	219.888118	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2Na"	45.978436
"1411809"	146.927837333333	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H+2Na"	46.985712
"1442832"	440.810546	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H+HCOOH"	47.012746
"235322"	421.82004	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+3H2O+2H"	56.04448
"1522411"	454.86259	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+IsoProp+H"	61.06479
"423683"	424.773988	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+Na+K"	61.952376
"785288"	621.672888	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+Na+K"	61.952376
"1681008"	227.875088	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Na+K"	61.952376
"266443"	851.611368	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+ACN+Na"	64.015768
"1240727"	457.813568	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+ACN+Na"	64.015768
"1728234"	457.837093	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+NH4+HCOOH"	64.039293
"1192166"	154.255151333333	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+3Na"	68.967654
"1664613"	462.792488	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Na+HCOOH"	68.994688
"169287"	864.51464	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+2K-H"	76.91904
"609574"	1258.31244	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+2K-H"	76.91904
"1094814"	470.71684	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2K-H"	76.91904
"156136"	432.760958	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"2M+2K"	77.926316
"596507"	629.659858	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"3M+2K"	77.926316
"1083247"	235.862058	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2K"	77.926316
"1114512"	472.731392	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2K+H"	78.933592
"1350290"	472.819007	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+DMSO+H"	79.021207
"1019913"	476.858176	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2ACN+H"	83.060376
"1538160"	477.851808	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+IsoProp+Na+H"	84.054008
"1005301"	238.932726	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+2ACN+2H"	84.067652
"1601175"	478.766428	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+K+HCOOH"	84.968628
"1426954"	508.797938	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+H+CF3COOH"	115.000138
"1160156"	259.446001	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+3ACN+2H"	125.094202
"1711893"	525.824485	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+NH4+CF3COOH"	132.026685
"1647906"	530.77988	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+Na+CF3COOH"	136.98208
"1579182"	546.75382	"C18959"	"Chlorbicyclen"	"C9H6Cl8"	"393.7978"	"M+K+CF3COOH"	152.95602
"809548"	407.777	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M"	0
"986362"	388.75861	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-H2O-H"	-19.01839
"72417"	270.844057333333	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M-3H"	-3.021828
"510883"	406.769724	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M-3H"	-3.021828
"887593"	134.918390666667	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-3H"	-3.021828
"8353"	406.769724	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M-2H"	-2.014552
"447915"	610.658224	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M-2H"	-2.014552
"831923"	202.881224	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-2H"	-2.014552
"91547"	814.546724	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M-H"	-1.007276
"532934"	1222.323724	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M-H"	-1.007276
"909280"	406.769724	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-H"	-1.007276
"60375"	831.573271	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M-2H+NH4"	16.019271
"502659"	1239.350271	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M-2H+NH4"	16.019271
"879438"	423.796271	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-2H+NH4"	16.019271
"42719"	836.528666	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M-2H+Na"	20.974666
"483372"	1244.305666	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M-2H+Na"	20.974666
"858985"	428.751666	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-2H+Na"	20.974666
"1628519"	428.751666	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Na-2H"	20.974666
"99580"	424.758063	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M-H+Cl"	33.962126
"534801"	628.646563	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M-H+Cl"	33.962126
"930466"	220.869563	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-H+Cl"	33.962126
"267519"	850.523402	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+Cl"	34.969402
"660222"	1258.300402	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+Cl"	34.969402
"1281510"	442.746402	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Cl"	34.969402
"30885"	852.502606	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M-2H+K"	36.948606
"470562"	1260.279606	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M-2H+K"	36.948606
"847633"	444.725606	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-2H+K"	36.948606
"1557026"	444.725606	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+K-2H"	36.948606
"954629"	452.775194	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-H+HCOOH"	44.998194
"370658"	860.552201	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+HCOOH-H"	44.998201
"349438"	874.567851	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+Hac-H"	59.013851
"1499365"	466.790851	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Hac-H"	59.013851
"965812"	474.757151	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-H+NaCOOH"	66.980151
"123470"	442.746402	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+2Cl"	69.938804
"559751"	646.634902	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+2Cl"	69.938804
"1032923"	238.857902	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2Cl"	69.938804
"1252502"	486.695885	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Br"	78.918885
"1314587"	488.751872	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Cl+HCOOH"	80.974872
"1324792"	510.733829	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Cl+NaCOOH"	102.956829
"918038"	520.762586	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M-H+CF3COOH"	112.985586
"1294747"	556.739264	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Cl+CF3COOH"	148.962264
"1376189"	372.764324	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H-2H2O"	-35.012676
"1395872"	390.7743	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H-H2O"	-17.0027
"293372"	816.561276	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+H"	1.007276
"681420"	1224.338276	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+H"	1.007276
"1361050"	408.784276	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H"	1.007276
"136125"	408.784276	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+2H"	2.014552
"571312"	612.672776	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+2H"	2.014552
"1045583"	204.895776	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2H"	2.014552
"216043"	272.858609333333	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+3H"	3.021828
"655241"	408.784276	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+3H"	3.021828
"1174092"	136.932942666667	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+3H"	3.021828
"438099"	833.587823	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+NH4"	18.033823
"797637"	1241.364823	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+NH4"	18.033823
"1693968"	425.810823	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+NH4"	18.033823
"343343"	417.2975495	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+H+NH4"	19.041099
"737950"	621.1860495	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+H+NH4"	19.041099
"1488489"	213.4090495	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H+NH4"	19.041099
"406075"	838.543218	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+Na"	22.989218
"763791"	1246.320218	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+Na"	22.989218
"1610794"	430.766218	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Na"	22.989218
"325205"	419.775247	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+H+Na"	23.996494
"717627"	623.663747	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+H+Na"	23.996494
"1473633"	215.886747	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H+Na"	23.996494
"1066511"	144.260256666667	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2H+Na"	25.00377
"1266367"	440.810486	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+CH3OH+H"	33.033486
"381660"	854.517158	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+K"	38.963158
"747031"	1262.294158	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+K"	38.963158
"1551281"	446.740158	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+K"	38.963158
"312831"	427.762217	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+H+K"	39.970434
"705621"	631.650717	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+H+K"	39.970434
"1459442"	223.873717	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H+K"	39.970434
"243302"	857.587826	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+ACN+H"	42.033826
"1217106"	449.810826	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+ACN+H"	42.033826
"1202083"	225.409051	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+ACN+2H"	43.041102
"203828"	860.52516	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+2Na-H"	44.97116
"642172"	1268.30216	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+2Na-H"	44.97116
"1140210"	452.74816	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2Na-H"	44.97116
"187028"	430.766218	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+2Na"	45.978436
"625984"	634.654718	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+2Na"	45.978436
"1128757"	226.877718	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2Na"	45.978436
"1412651"	151.587570666667	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H+2Na"	46.985712
"1443305"	454.789746	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H+HCOOH"	47.012746
"235312"	435.79924	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+3H2O+2H"	56.04448
"1523614"	468.84179	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+IsoProp+H"	61.06479
"421482"	438.753188	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+Na+K"	61.952376
"783936"	642.641688	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+Na+K"	61.952376
"1680995"	234.864688	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Na+K"	61.952376
"266952"	879.569768	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+ACN+Na"	64.015768
"1241078"	471.792768	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+ACN+Na"	64.015768
"1726556"	471.816293	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+NH4+HCOOH"	64.039293
"1190814"	158.914884666667	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+3Na"	68.967654
"1661436"	476.771688	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Na+HCOOH"	68.994688
"169390"	892.47304	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+2K-H"	76.91904
"609315"	1300.25004	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+2K-H"	76.91904
"1097110"	484.69604	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2K-H"	76.91904
"155882"	446.740158	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"2M+2K"	77.926316
"596293"	650.628658	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"3M+2K"	77.926316
"1083115"	242.851658	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2K"	77.926316
"1114749"	486.710592	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2K+H"	78.933592
"1349914"	486.798207	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+DMSO+H"	79.021207
"1019659"	490.837376	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2ACN+H"	83.060376
"1538757"	491.831008	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+IsoProp+Na+H"	84.054008
"1005208"	245.922326	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+2ACN+2H"	84.067652
"1600678"	492.745628	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+K+HCOOH"	84.968628
"1424877"	522.777138	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+H+CF3COOH"	115.000138
"1159537"	266.435601	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+3ACN+2H"	125.094202
"1710909"	539.803685	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+NH4+CF3COOH"	132.026685
"1648017"	544.75908	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+Na+CF3COOH"	136.98208
"1582572"	560.73302	"C18960"	"Isobenzan;Telodrin"	"C9H4Cl8O"	"407.777"	"M+K+CF3COOH"	152.95602
"803097"	361.8757	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M"	0
"983192"	342.85731	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-H2O-H"	-19.01839
"69247"	240.243190666667	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M-3H"	-3.021828
"509900"	360.868424	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M-3H"	-3.021828
"887703"	119.617957333333	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-3H"	-3.021828
"4091"	360.868424	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M-2H"	-2.014552
"446932"	541.806274	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M-2H"	-2.014552
"832157"	179.930574	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-2H"	-2.014552
"91657"	722.744124	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M-H"	-1.007276
"534128"	1084.619824	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M-H"	-1.007276
"910848"	360.868424	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-H"	-1.007276
"60364"	739.770671	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M-2H+NH4"	16.019271
"501748"	1101.646371	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M-2H+NH4"	16.019271
"879428"	377.894971	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-2H+NH4"	16.019271
"45381"	744.726066	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M-2H+Na"	20.974666
"480202"	1106.601766	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M-2H+Na"	20.974666
"859095"	382.850366	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-2H+Na"	20.974666
"1626443"	382.850366	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Na-2H"	20.974666
"97503"	378.856763	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M-H+Cl"	33.962126
"534247"	559.794613	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M-H+Cl"	33.962126
"927134"	197.918913	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-H+Cl"	33.962126
"267150"	758.720802	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+Cl"	34.969402
"660061"	1120.596502	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+Cl"	34.969402
"1281620"	396.845102	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Cl"	34.969402
"31109"	760.700006	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M-2H+K"	36.948606
"470312"	1122.575706	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M-2H+K"	36.948606
"844828"	398.824306	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-2H+K"	36.948606
"1568315"	398.824306	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+K-2H"	36.948606
"958264"	406.873894	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-H+HCOOH"	44.998194
"371860"	768.749601	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+HCOOH-H"	44.998201
"357933"	782.765251	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+Hac-H"	59.013851
"1499475"	420.889551	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Hac-H"	59.013851
"968109"	428.855851	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-H+NaCOOH"	66.980151
"125044"	396.845102	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+2Cl"	69.938804
"564726"	577.782952	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+2Cl"	69.938804
"1033034"	215.907252	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2Cl"	69.938804
"1256871"	440.794585	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Br"	78.918885
"1316884"	442.850572	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Cl+HCOOH"	80.974872
"1330374"	464.832529	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Cl+NaCOOH"	102.956829
"924350"	474.861286	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M-H+CF3COOH"	112.985586
"1301421"	510.837964	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Cl+CF3COOH"	148.962264
"1373021"	326.863024	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H-2H2O"	-35.012676
"1390517"	344.873	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H-H2O"	-17.0027
"293484"	724.758676	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+H"	1.007276
"689188"	1086.634376	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+H"	1.007276
"1365537"	362.882976	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H"	1.007276
"137330"	362.882976	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+2H"	2.014552
"576889"	543.820826	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+2H"	2.014552
"1045693"	181.945126	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2H"	2.014552
"214696"	242.257742666667	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+3H"	3.021828
"653164"	362.882976	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+3H"	3.021828
"1173476"	121.632509333333	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+3H"	3.021828
"432380"	741.785223	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+NH4"	18.033823
"794468"	1103.660923	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+NH4"	18.033823
"1691528"	379.909523	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+NH4"	18.033823
"341264"	371.3962495	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+H+NH4"	19.041099
"732592"	552.3340995	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+H+NH4"	19.041099
"1488599"	190.4583995	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H+NH4"	19.041099
"403999"	746.740618	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+Na"	22.989218
"761714"	1108.616318	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+Na"	22.989218
"1611998"	384.864918	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Na"	22.989218
"323130"	373.873947	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+H+Na"	23.996494
"713362"	554.811797	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+H+Na"	23.996494
"1470464"	192.936097	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H+Na"	23.996494
"1059332"	128.959823333333	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2H+Na"	25.00377
"1269759"	394.909186	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+CH3OH+H"	33.033486
"390885"	762.714558	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+K"	38.963158
"743861"	1124.590258	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+K"	38.963158
"1546291"	400.838858	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+K"	38.963158
"303833"	381.860917	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+H+K"	39.970434
"695524"	562.798767	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+H+K"	39.970434
"1459185"	200.923067	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H+K"	39.970434
"241226"	765.785226	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+ACN+H"	42.033826
"1218310"	403.909526	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+ACN+H"	42.033826
"1201100"	202.458401	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+ACN+2H"	43.041102
"200899"	768.72256	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+2Na-H"	44.97116
"639730"	1130.59826	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+2Na-H"	44.97116
"1140320"	406.84686	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2Na-H"	44.97116
"182518"	384.864918	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+2Na"	45.978436
"627792"	565.802768	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+2Na"	45.978436
"1129596"	203.927068	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2Na"	45.978436
"1413486"	136.287137333333	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H+2Na"	46.985712
"1445196"	408.888446	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H+HCOOH"	47.012746
"235257"	389.89794	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+3H2O+2H"	56.04448
"1523484"	422.94049	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+IsoProp+H"	61.06479
"420134"	392.851888	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+Na+K"	61.952376
"784410"	573.789738	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+Na+K"	61.952376
"1680739"	211.914038	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Na+K"	61.952376
"266532"	787.767168	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+ACN+Na"	64.015768
"1240699"	425.891468	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+ACN+Na"	64.015768
"1726907"	425.914993	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+NH4+HCOOH"	64.039293
"1190560"	143.614451333333	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+3Na"	68.967654
"1661547"	430.870388	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Na+HCOOH"	68.994688
"167678"	800.67044	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+2K-H"	76.91904
"608332"	1162.54614	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+2K-H"	76.91904
"1097583"	438.79474	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2K-H"	76.91904
"155868"	400.838858	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"2M+2K"	77.926316
"595793"	581.776708	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"3M+2K"	77.926316
"1082130"	219.901008	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2K"	77.926316
"1114490"	440.809292	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2K+H"	78.933592
"1349904"	440.896907	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+DMSO+H"	79.021207
"1019162"	444.936076	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2ACN+H"	83.060376
"1538015"	445.929708	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+IsoProp+Na+H"	84.054008
"1004949"	222.971676	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+2ACN+2H"	84.067652
"1600058"	446.844328	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+K+HCOOH"	84.968628
"1426079"	476.875838	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+H+CF3COOH"	115.000138
"1160740"	243.484951	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+3ACN+2H"	125.094202
"1711749"	493.902385	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+NH4+CF3COOH"	132.026685
"1645941"	498.85778	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+Na+CF3COOH"	136.98208
"1582682"	514.83172	"C18961"	"Isodrin"	"C12H8Cl6"	"361.8757"	"M+K+CF3COOH"	152.95602
"804300"	629.7621	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M"	0
"980022"	610.74371	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-H2O-H"	-19.01839
"66077"	418.834124	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M-3H"	-3.021828
"510010"	628.754824	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M-3H"	-3.021828
"882343"	208.913424	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-3H"	-3.021828
"916"	628.754824	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M-2H"	-2.014552
"447042"	943.635874	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M-2H"	-2.014552
"824844"	313.873774	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-2H"	-2.014552
"90311"	1258.516924	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M-H"	-1.007276
"534135"	1888.279024	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M-H"	-1.007276
"910230"	628.754824	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-H"	-1.007276
"59744"	1275.543471	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M-2H+NH4"	16.019271
"502386"	1905.305571	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M-2H+NH4"	16.019271
"875039"	645.781371	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-2H+NH4"	16.019271
"45007"	1280.498866	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M-2H+Na"	20.974666
"484810"	1910.260966	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M-2H+Na"	20.974666
"858113"	650.736766	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-2H+Na"	20.974666
"1623272"	650.736766	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Na-2H"	20.974666
"94601"	646.743163	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M-H+Cl"	33.962126
"534528"	961.624213	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M-H+Cl"	33.962126
"927149"	331.862113	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-H+Cl"	33.962126
"267336"	1294.493602	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+Cl"	34.969402
"660204"	1924.255702	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+Cl"	34.969402
"1280637"	664.731502	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Cl"	34.969402
"30125"	1296.472806	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M-2H+K"	36.948606
"470053"	1926.234906	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M-2H+K"	36.948606
"847490"	666.710706	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-2H+K"	36.948606
"1568425"	666.710706	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+K-2H"	36.948606
"955943"	674.760294	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-H+HCOOH"	44.998194
"371970"	1304.522401	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+HCOOH-H"	44.998201
"356950"	1318.538051	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+Hac-H"	59.013851
"1507810"	688.775951	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Hac-H"	59.013851
"968584"	696.742251	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-H+NaCOOH"	66.980151
"125154"	664.731502	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+2Cl"	69.938804
"565202"	979.612552	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+2Cl"	69.938804
"1030957"	349.850452	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2Cl"	69.938804
"1254913"	708.680985	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Br"	78.918885
"1316994"	710.736972	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Cl+HCOOH"	80.974872
"1329390"	732.718929	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Cl+NaCOOH"	102.956829
"921542"	742.747686	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M-H+CF3COOH"	112.985586
"1296062"	778.724364	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Cl+CF3COOH"	148.962264
"1373130"	594.749424	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H-2H2O"	-35.012676
"1386253"	612.7594	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H-H2O"	-17.0027
"290314"	1260.531476	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+H"	1.007276
"684922"	1890.293576	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+H"	1.007276
"1363457"	630.769376	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H"	1.007276
"138533"	630.769376	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+2H"	2.014552
"578092"	945.650426	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+2H"	2.014552
"1046896"	315.888326	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2H"	2.014552
"215535"	420.848676	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+3H"	3.021828
"653276"	630.769376	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+3H"	3.021828
"1173587"	210.927976	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+3H"	3.021828
"434311"	1277.558023	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+NH4"	18.033823
"795307"	1907.320123	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+NH4"	18.033823
"1692002"	647.795923	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+NH4"	18.033823
"340280"	639.2826495	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+H+NH4"	19.041099
"731610"	954.1636995	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+H+NH4"	19.041099
"1479962"	324.4015995	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H+NH4"	19.041099
"403016"	1282.513418	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+Na"	22.989218
"764010"	1912.275518	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+Na"	22.989218
"1608829"	652.751318	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Na"	22.989218
"323238"	641.760347	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+H+Na"	23.996494
"712379"	956.641397	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+H+Na"	23.996494
"1467293"	326.879297	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H+Na"	23.996494
"1062722"	218.25529	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2H+Na"	25.00377
"1268776"	662.795586	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+CH3OH+H"	33.033486
"391723"	1298.487358	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+K"	38.963158
"743971"	1928.249458	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+K"	38.963158
"1549304"	668.725258	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+K"	38.963158
"308668"	649.747317	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+H+K"	39.970434
"697821"	964.628367	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+H+K"	39.970434
"1458201"	334.866267	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H+K"	39.970434
"242430"	1301.558026	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+ACN+H"	42.033826
"1220606"	671.795926	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+ACN+H"	42.033826
"1202303"	336.401601	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+ACN+2H"	43.041102
"200279"	1304.49536	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+2Na-H"	44.97116
"640204"	1934.25746	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+2Na-H"	44.97116
"1143710"	674.73326	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2Na-H"	44.97116
"186760"	652.751318	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+2Na"	45.978436
"627177"	967.632368	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+2Na"	45.978436
"1130071"	337.870268	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2Na"	45.978436
"1412504"	225.582604	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H+2Na"	46.985712
"1443891"	676.774846	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H+HCOOH"	47.012746
"233587"	657.78434	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+3H2O+2H"	56.04448
"1522743"	690.82689	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+IsoProp+H"	61.06479
"418787"	660.738288	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+Na+K"	61.952376
"783062"	975.619338	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+Na+K"	61.952376
"1680121"	345.857238	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Na+K"	61.952376
"266398"	1323.539968	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+ACN+Na"	64.015768
"1240810"	693.777868	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+ACN+Na"	64.015768
"1726411"	693.801393	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+NH4+HCOOH"	64.039293
"1192128"	232.909918	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+3Na"	68.967654
"1663478"	698.756788	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Na+HCOOH"	68.994688
"169245"	1336.44324	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+2K-H"	76.91904
"608444"	1966.20534	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+2K-H"	76.91904
"1096237"	706.68114	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2K-H"	76.91904
"155979"	668.725258	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"2M+2K"	77.926316
"594807"	983.606308	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"3M+2K"	77.926316
"1082240"	353.844208	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2K"	77.926316
"1114357"	708.695692	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2K+H"	78.933592
"1350620"	708.783307	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+DMSO+H"	79.021207
"1020934"	712.822476	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2ACN+H"	83.060376
"1538855"	713.816108	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+IsoProp+Na+H"	84.054008
"1004572"	356.914876	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+2ACN+2H"	84.067652
"1599074"	714.730728	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+K+HCOOH"	84.968628
"1426920"	744.762238	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+H+CF3COOH"	115.000138
"1161580"	377.428151	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+3ACN+2H"	125.094202
"1710402"	761.788785	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+NH4+CF3COOH"	132.026685
"1648237"	766.74418	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+Na+CF3COOH"	136.98208
"1579512"	782.71812	"C18962"	"Kelevan"	"C17H12Cl10O4"	"629.7621"	"M+K+CF3COOH"	152.95602
"803317"	273.0258	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M"	0
"983412"	254.00741	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-H2O-H"	-19.01839
"69467"	181.009924	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M-3H"	-3.021828
"510120"	272.018524	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M-3H"	-3.021828
"881481"	90.001324	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-3H"	-3.021828
"660"	272.018524	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M-2H"	-2.014552
"449340"	408.531424	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M-2H"	-2.014552
"823863"	135.505624	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-2H"	-2.014552
"92485"	545.044324	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M-H"	-1.007276
"533754"	818.070124	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M-H"	-1.007276
"910825"	272.018524	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-H"	-1.007276
"59608"	562.070871	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M-2H+NH4"	16.019271
"499532"	835.096671	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M-2H+NH4"	16.019271
"875149"	289.045071	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-2H+NH4"	16.019271
"46657"	567.026266	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M-2H+Na"	20.974666
"485406"	840.052066	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M-2H+Na"	20.974666
"858223"	294.000466	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-2H+Na"	20.974666
"1622288"	294.000466	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Na-2H"	20.974666
"96993"	290.006863	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M-H+Cl"	33.962126
"534724"	426.519763	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M-H+Cl"	33.962126
"928001"	153.493963	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-H+Cl"	33.962126
"267325"	581.021002	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+Cl"	34.969402
"663600"	854.046802	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+Cl"	34.969402
"1281840"	307.995202	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Cl"	34.969402
"29506"	583.000206	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M-2H+K"	36.948606
"468339"	856.026006	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M-2H+K"	36.948606
"846140"	309.974406	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-2H+K"	36.948606
"1569627"	309.974406	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+K-2H"	36.948606
"956053"	318.023994	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-H+HCOOH"	44.998194
"372444"	591.049801	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+HCOOH-H"	44.998201
"355237"	605.065451	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+Hac-H"	59.013851
"1505891"	332.039651	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Hac-H"	59.013851
"968694"	340.005951	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-H+NaCOOH"	66.980151
"121613"	307.995202	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+2Cl"	69.938804
"564948"	444.508102	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+2Cl"	69.938804
"1031067"	171.482302	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2Cl"	69.938804
"1253930"	351.944685	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Br"	78.918885
"1315281"	354.000672	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Cl+HCOOH"	80.974872
"1329501"	375.982629	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Cl+NaCOOH"	102.956829
"921652"	386.011386	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M-H+CF3COOH"	112.985586
"1295079"	421.988064	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Cl+CF3COOH"	148.962264
"1372147"	238.013124	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H-2H2O"	-35.012676
"1391831"	256.0231	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H-H2O"	-17.0027
"290424"	547.058876	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+H"	1.007276
"688314"	820.084676	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+H"	1.007276
"1363569"	274.033076	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H"	1.007276
"137552"	274.033076	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+2H"	2.014552
"578204"	410.545976	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+2H"	2.014552
"1051869"	137.520176	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2H"	2.014552
"215647"	183.024476	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+3H"	3.021828
"653024"	274.033076	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+3H"	3.021828
"1174428"	92.015876	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+3H"	3.021828
"434785"	564.085423	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+NH4"	18.033823
"794689"	837.111223	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+NH4"	18.033823
"1689926"	291.059623	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+NH4"	18.033823
"336017"	282.5463495	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+H+NH4"	19.041099
"731720"	419.0592495	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+H+NH4"	19.041099
"1480072"	146.0334495	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H+NH4"	19.041099
"405314"	569.040818	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+Na"	22.989218
"766308"	842.066618	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+Na"	22.989218
"1610032"	296.015018	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Na"	22.989218
"324443"	285.024047	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+H+Na"	23.996494
"713583"	421.536947	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+H+Na"	23.996494
"1466312"	148.511147	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H+Na"	23.996494
"1065021"	99.34319	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2H+Na"	25.00377
"1267793"	306.059286	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+CH3OH+H"	33.033486
"391471"	585.014758	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+K"	38.963158
"745174"	858.040558	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+K"	38.963158
"1552334"	311.988958	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+K"	38.963158
"310242"	293.011017	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+H+K"	39.970434
"704852"	429.523917	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+H+K"	39.970434
"1453937"	156.498117	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H+K"	39.970434
"241447"	588.085426	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+ACN+H"	42.033826
"1217439"	315.059626	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+ACN+H"	42.033826
"1200228"	158.033451	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+ACN+2H"	43.041102
"195286"	591.02276	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+2Na-H"	44.97116
"637034"	864.04856	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+2Na-H"	44.97116
"1140540"	317.99696	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2Na-H"	44.97116
"186749"	296.015018	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+2Na"	45.978436
"626677"	432.527918	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+2Na"	45.978436
"1128843"	159.502118	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2Na"	45.978436
"1412491"	106.670504	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H+2Na"	46.985712
"1443633"	320.038546	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H+HCOOH"	47.012746
"234912"	301.04804	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+3H2O+2H"	56.04448
"1523702"	334.09059	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+IsoProp+H"	61.06479
"420719"	304.001988	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+Na+K"	61.952376
"783538"	440.514888	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+Na+K"	61.952376
"1680110"	167.489088	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Na+K"	61.952376
"266269"	610.067368	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+ACN+Na"	64.015768
"1240190"	337.041568	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+ACN+Na"	64.015768
"1727618"	337.065093	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+NH4+HCOOH"	64.039293
"1191147"	113.997818	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+3Na"	68.967654
"1663223"	342.020488	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Na+HCOOH"	68.994688
"167535"	622.97064	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+2K-H"	76.91904
"610013"	895.99644	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+2K-H"	76.91904
"1097075"	349.94484	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2K-H"	76.91904
"155969"	311.988958	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"2M+2K"	77.926316
"595892"	448.501858	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"3M+2K"	77.926316
"1083567"	175.476058	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2K"	77.926316
"1110090"	351.959392	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2K+H"	78.933592
"1350852"	352.047007	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+DMSO+H"	79.021207
"1020474"	356.086176	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2ACN+H"	83.060376
"1539454"	357.079808	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+IsoProp+Na+H"	84.054008
"1005292"	178.546726	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+2ACN+2H"	84.067652
"1602101"	357.994428	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+K+HCOOH"	84.968628
"1429339"	388.025938	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+H+CF3COOH"	115.000138
"1160961"	199.060001	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+3ACN+2H"	125.094202
"1709419"	405.052485	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+NH4+CF3COOH"	132.026685
"1649077"	410.00788	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+Na+CF3COOH"	136.98208
"1579622"	425.98182	"C18963"	"Amidithion"	"C7H16NO4PS2"	"273.0258"	"M+K+CF3COOH"	152.95602
"803427"	329.9932	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M"	0
"978052"	310.97481	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-H2O-H"	-19.01839
"64473"	218.988190666667	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M-3H"	-3.021828
"510230"	328.985924	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M-3H"	-3.021828
"881470"	108.990457333333	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-3H"	-3.021828
"1621"	328.985924	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M-2H"	-2.014552
"449450"	493.982524	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M-2H"	-2.014552
"823973"	163.989324	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-2H"	-2.014552
"92475"	658.979124	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M-H"	-1.007276
"534026"	988.972324	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M-H"	-1.007276
"911097"	328.985924	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-H"	-1.007276
"61300"	676.005671	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M-2H+NH4"	16.019271
"500496"	1005.998871	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M-2H+NH4"	16.019271
"877079"	346.012471	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-2H+NH4"	16.019271
"45348"	680.961066	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M-2H+Na"	20.974666
"486733"	1010.954266	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M-2H+Na"	20.974666
"858333"	350.967866	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-2H+Na"	20.974666
"1624585"	350.967866	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Na-2H"	20.974666
"97833"	346.974263	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M-H+Cl"	33.962126
"534791"	511.970863	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M-H+Cl"	33.962126
"928353"	181.977663	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-H+Cl"	33.962126
"268244"	694.955802	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+Cl"	34.969402
"666262"	1024.949002	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+Cl"	34.969402
"1283043"	364.962602	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Cl"	34.969402
"28886"	696.935006	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M-2H+K"	36.948606
"470276"	1026.928206	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M-2H+K"	36.948606
"846253"	366.941806	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-2H+K"	36.948606
"1568282"	366.941806	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+K-2H"	36.948606
"957261"	374.991394	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-H+HCOOH"	44.998194
"375110"	704.984601	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+HCOOH-H"	44.998201
"357170"	719.000251	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+Hac-H"	59.013851
"1506732"	389.007051	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Hac-H"	59.013851
"973182"	396.973351	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-H+NaCOOH"	66.980151
"124639"	364.962602	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+2Cl"	69.938804
"564936"	529.959202	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+2Cl"	69.938804
"1035188"	199.966002	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2Cl"	69.938804
"1255132"	408.912085	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Br"	78.918885
"1317578"	410.968072	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Cl+HCOOH"	80.974872
"1327425"	432.950029	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Cl+NaCOOH"	102.956829
"921762"	442.978786	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M-H+CF3COOH"	112.985586
"1294096"	478.955464	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Cl+CF3COOH"	148.962264
"1374444"	294.980524	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H-2H2O"	-35.012676
"1391941"	312.9905	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H-H2O"	-17.0027
"292721"	660.993676	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+H"	1.007276
"690249"	990.986876	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+H"	1.007276
"1366557"	331.000476	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H"	1.007276
"137662"	331.000476	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+2H"	2.014552
"577221"	495.997076	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+2H"	2.014552
"1049304"	166.003876	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2H"	2.014552
"216490"	221.002742666667	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+3H"	3.021828
"653500"	331.000476	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+3H"	3.021828
"1171625"	111.005009333333	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+3H"	3.021828
"437082"	678.020223	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+NH4"	18.033823
"795892"	1008.013423	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+NH4"	18.033823
"1687849"	348.027023	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+NH4"	18.033823
"336127"	339.5137495	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+H+NH4"	19.041099
"727456"	504.5103495	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+H+NH4"	19.041099
"1480181"	174.5171495	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H+NH4"	19.041099
"402142"	682.975618	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+Na"	22.989218
"764232"	1012.968818	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+Na"	22.989218
"1606860"	352.982418	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Na"	22.989218
"321272"	341.991447	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+H+Na"	23.996494
"713694"	506.988047	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+H+Na"	23.996494
"1468607"	176.994847	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H+Na"	23.996494
"1062942"	118.332323333333	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2H+Na"	25.00377
"1271182"	363.026686	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+CH3OH+H"	33.033486
"390486"	698.949558	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+K"	38.963158
"750752"	1028.942758	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+K"	38.963158
"1552810"	368.956358	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+K"	38.963158
"311445"	349.978417	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+H+K"	39.970434
"705326"	514.975017	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+H+K"	39.970434
"1455141"	184.981817	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H+K"	39.970434
"241558"	702.020226	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+ACN+H"	42.033826
"1215363"	372.027026	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+ACN+H"	42.033826
"1200339"	186.517151	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+ACN+2H"	43.041102
"194667"	704.95756	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+2Na-H"	44.97116
"635322"	1034.95076	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+2Na-H"	44.97116
"1139557"	374.96436	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2Na-H"	44.97116
"186980"	352.982418	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+2Na"	45.978436
"627153"	517.979018	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+2Na"	45.978436
"1128103"	187.985818	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2Na"	45.978436
"1412357"	125.659637333333	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H+2Na"	46.985712
"1444110"	377.005946	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H+HCOOH"	47.012746
"234538"	358.01544	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+3H2O+2H"	56.04448
"1521510"	391.05799	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+IsoProp+H"	61.06479
"419738"	360.969388	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+Na+K"	61.952376
"782190"	525.965988	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+Na+K"	61.952376
"1678886"	195.972788	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Na+K"	61.952376
"265770"	724.002168	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+ACN+Na"	64.015768
"1239576"	394.008968	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+ACN+Na"	64.015768
"1727244"	394.032493	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+NH4+HCOOH"	64.039293
"1190893"	132.986951333333	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+3Na"	68.967654
"1660784"	398.987888	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Na+HCOOH"	68.994688
"164366"	736.90544	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+2K-H"	76.91904
"607205"	1066.89864	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+2K-H"	76.91904
"1096457"	406.91224	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2K-H"	76.91904
"155833"	368.956358	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"2M+2K"	77.926316
"596485"	533.952958	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"3M+2K"	77.926316
"1083553"	203.959758	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2K"	77.926316
"1114574"	408.926792	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2K+H"	78.933592
"1350966"	409.014407	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+DMSO+H"	79.021207
"1021290"	413.053576	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2ACN+H"	83.060376
"1539686"	414.047208	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+IsoProp+Na+H"	84.054008
"1004917"	207.030426	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+2ACN+2H"	84.067652
"1601846"	414.961828	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+K+HCOOH"	84.968628
"1428233"	444.993338	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+H+CF3COOH"	115.000138
"1160709"	227.543701	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+3ACN+2H"	125.094202
"1710622"	462.019885	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+NH4+CF3COOH"	132.026685
"1649188"	466.97528	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+Na+CF3COOH"	136.98208
"1579732"	482.94922	"C18964"	"Athidathion"	"C8H15N2O4PS3"	"329.9932"	"M+K+CF3COOH"	152.95602
"803537"	363.8492	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M"	0
"977068"	344.83081	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-H2O-H"	-19.01839
"64090"	241.558857333333	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M-3H"	-3.021828
"510340"	362.841924	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M-3H"	-3.021828
"883764"	120.275790666667	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-3H"	-3.021828
"5981"	362.841924	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M-2H"	-2.014552
"449560"	544.766524	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M-2H"	-2.014552
"824083"	180.917324	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-2H"	-2.014552
"93723"	726.691124	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M-H"	-1.007276
"533488"	1090.540324	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M-H"	-1.007276
"909949"	362.841924	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-H"	-1.007276
"61045"	743.717671	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M-2H+NH4"	16.019271
"500848"	1107.566871	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M-2H+NH4"	16.019271
"874273"	379.868471	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-2H+NH4"	16.019271
"46431"	748.673066	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M-2H+Na"	20.974666
"482464"	1112.522266	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M-2H+Na"	20.974666
"855162"	384.823866	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-2H+Na"	20.974666
"1623602"	384.823866	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Na-2H"	20.974666
"95388"	380.830263	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M-H+Cl"	33.962126
"535067"	562.754863	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M-H+Cl"	33.962126
"930286"	198.905663	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-H+Cl"	33.962126
"269572"	762.667802	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+Cl"	34.969402
"663455"	1126.517002	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+Cl"	34.969402
"1283153"	398.818602	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Cl"	34.969402
"30089"	764.647006	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M-2H+K"	36.948606
"470994"	1128.496206	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M-2H+K"	36.948606
"847821"	400.797806	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-2H+K"	36.948606
"1568755"	400.797806	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+K-2H"	36.948606
"957370"	408.847394	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-H+HCOOH"	44.998194
"374491"	772.696601	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+HCOOH-H"	44.998201
"359468"	786.712251	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+Hac-H"	59.013851
"1506478"	422.863051	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Hac-H"	59.013851
"973656"	430.829351	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-H+NaCOOH"	66.980151
"124385"	398.818602	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+2Cl"	69.938804
"565371"	580.743202	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+2Cl"	69.938804
"1037036"	216.894002	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2Cl"	69.938804
"1255971"	442.768085	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Br"	78.918885
"1318781"	444.824072	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Cl+HCOOH"	80.974872
"1329722"	466.806029	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Cl+NaCOOH"	102.956829
"920780"	476.834786	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M-H+CF3COOH"	112.985586
"1298582"	512.811464	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Cl+CF3COOH"	148.962264
"1377836"	328.836524	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H-2H2O"	-35.012676
"1394969"	346.8465	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H-H2O"	-17.0027
"291738"	728.705676	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+H"	1.007276
"689631"	1092.554876	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+H"	1.007276
"1366343"	364.856476	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H"	1.007276
"138865"	364.856476	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+2H"	2.014552
"577331"	546.781076	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+2H"	2.014552
"1047224"	182.931876	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2H"	2.014552
"214779"	243.573409333333	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+3H"	3.021828
"656161"	364.856476	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+3H"	3.021828
"1174287"	122.290342666667	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+3H"	3.021828
"437192"	745.732223	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+NH4"	18.033823
"794908"	1109.581423	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+NH4"	18.033823
"1686866"	381.883023	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+NH4"	18.033823
"339518"	373.3697495	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+H+NH4"	19.041099
"727567"	555.2943495	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+H+NH4"	19.041099
"1481385"	191.4451495	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H+NH4"	19.041099
"394962"	750.687618	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+Na"	22.989218
"757779"	1114.536818	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+Na"	22.989218
"1605512"	386.838418	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Na"	22.989218
"319195"	375.847447	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+H+Na"	23.996494
"711618"	557.772047	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+H+Na"	23.996494
"1467624"	193.922847	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H+Na"	23.996494
"1065244"	129.617656666667	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2H+Na"	25.00377
"1265827"	396.882686	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+CH3OH+H"	33.033486
"388775"	766.661558	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+K"	38.963158
"749769"	1130.510758	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+K"	38.963158
"1550734"	402.812358	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+K"	38.963158
"311920"	383.834417	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+H+K"	39.970434
"706774"	565.759017	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+H+K"	39.970434
"1460800"	201.909817	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H+K"	39.970434
"246039"	769.732226	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+ACN+H"	42.033826
"1224215"	405.883026	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+ACN+H"	42.033826
"1202635"	203.445151	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+ACN+2H"	43.041102
"197694"	772.66956	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+2Na-H"	44.97116
"640535"	1136.51876	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+2Na-H"	44.97116
"1141855"	408.82036	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2Na-H"	44.97116
"186237"	386.838418	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+2Na"	45.978436
"627260"	568.763018	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+2Na"	45.978436
"1128579"	204.913818	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2Na"	45.978436
"1412468"	136.944970666667	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H+2Na"	46.985712
"1444220"	410.861946	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H+HCOOH"	47.012746
"234402"	391.87144	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+3H2O+2H"	56.04448
"1523442"	424.91399	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+IsoProp+H"	61.06479
"421305"	394.825388	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+Na+K"	61.952376
"784000"	576.749988	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+Na+K"	61.952376
"1680456"	212.900788	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Na+K"	61.952376
"266730"	791.714168	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+ACN+Na"	64.015768
"1241102"	427.864968	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+ACN+Na"	64.015768
"1727597"	427.888493	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+NH4+HCOOH"	64.039293
"1191731"	144.272284666667	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+3Na"	68.967654
"1659801"	432.843888	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Na+HCOOH"	68.994688
"166662"	804.61744	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+2K-H"	76.91904
"608408"	1168.46664	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+2K-H"	76.91904
"1095838"	440.76824	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2K-H"	76.91904
"156065"	402.812358	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"2M+2K"	77.926316
"596232"	584.736958	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"3M+2K"	77.926316
"1084090"	220.887758	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2K"	77.926316
"1115490"	442.782792	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2K+H"	78.933592
"1351078"	442.870407	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+DMSO+H"	79.021207
"1021291"	446.909576	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2ACN+H"	83.060376
"1539777"	447.903208	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+IsoProp+Na+H"	84.054008
"1005620"	223.958426	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+2ACN+2H"	84.067652
"1600861"	448.817828	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+K+HCOOH"	84.968628
"1429558"	478.849338	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+H+CF3COOH"	115.000138
"1162154"	244.471701	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+3ACN+2H"	125.094202
"1712553"	495.875885	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+NH4+CF3COOH"	132.026685
"1648568"	500.83128	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+Na+CF3COOH"	136.98208
"1579842"	516.80522	"C18965"	"Bromofos"	"C8H8BrCl2O3PS"	"363.8492"	"M+K+CF3COOH"	152.95602
"808020"	391.8805	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M"	0
"980458"	372.86211	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-H2O-H"	-19.01839
"67608"	260.246390666667	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M-3H"	-3.021828
"508263"	390.873224	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M-3H"	-3.021828
"882781"	129.619557333333	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-3H"	-3.021828
"4998"	390.873224	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M-2H"	-2.014552
"449670"	586.813474	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M-2H"	-2.014552
"825287"	194.932974	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-2H"	-2.014552
"87466"	782.753724	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M-H"	-1.007276
"533766"	1174.634224	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M-H"	-1.007276
"909573"	390.873224	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-H"	-1.007276
"62575"	799.780271	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M-2H+NH4"	16.019271
"501811"	1191.660771	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M-2H+NH4"	16.019271
"874383"	407.899771	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-2H+NH4"	16.019271
"39003"	804.735666	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M-2H+Na"	20.974666
"480751"	1196.616166	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M-2H+Na"	20.974666
"853085"	412.855166	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-2H+Na"	20.974666
"1621525"	412.855166	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Na-2H"	20.974666
"98050"	408.861563	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M-H+Cl"	33.962126
"534814"	604.801813	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M-H+Cl"	33.962126
"927843"	212.921313	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-H+Cl"	33.962126
"270774"	818.730402	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+Cl"	34.969402
"661498"	1210.610902	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+Cl"	34.969402
"1277063"	426.849902	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Cl"	34.969402
"17795"	820.709606	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M-2H+K"	36.948606
"464285"	1212.590106	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M-2H+K"	36.948606
"848015"	428.829106	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-2H+K"	36.948606
"1571050"	428.829106	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+K-2H"	36.948606
"958393"	436.878694	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-H+HCOOH"	44.998194
"376059"	828.759201	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+HCOOH-H"	44.998201
"360551"	842.774851	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+Hac-H"	59.013851
"1506952"	450.894351	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Hac-H"	59.013851
"973811"	458.860651	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-H+NaCOOH"	66.980151
"124495"	426.849902	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+2Cl"	69.938804
"565634"	622.790152	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+2Cl"	69.938804
"1036750"	230.909652	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2Cl"	69.938804
"1256892"	470.799385	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Br"	78.918885
"1318527"	472.855372	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Cl+HCOOH"	80.974872
"1330926"	494.837329	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Cl+NaCOOH"	102.956829
"921983"	504.866086	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M-H+CF3COOH"	112.985586
"1298692"	540.842764	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Cl+CF3COOH"	148.962264
"1377946"	356.867824	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H-2H2O"	-35.012676
"1396536"	374.8778	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H-H2O"	-17.0027
"292941"	784.768276	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+H"	1.007276
"691192"	1176.648776	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+H"	1.007276
"1366795"	392.887776	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H"	1.007276
"140070"	392.887776	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+2H"	2.014552
"578535"	588.828026	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+2H"	2.014552
"1046241"	196.947526	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2H"	2.014552
"217075"	262.260942666667	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+3H"	3.021828
"656636"	392.887776	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+3H"	3.021828
"1175854"	131.634109333333	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+3H"	3.021828
"437303"	801.794823	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+NH4"	18.033823
"797206"	1193.675323	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+NH4"	18.033823
"1688070"	409.914323	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+NH4"	18.033823
"345094"	401.4010495	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+H+NH4"	19.041099
"727674"	597.3412995	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+H+NH4"	19.041099
"1484776"	205.4607995	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H+NH4"	19.041099
"399081"	806.750218	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+Na"	22.989218
"760075"	1198.630718	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+Na"	22.989218
"1609268"	414.869718	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Na"	22.989218
"321492"	403.878747	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+H+Na"	23.996494
"718286"	599.818997	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+H+Na"	23.996494
"1468827"	207.938497	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H+Na"	23.996494
"1066448"	138.961423333333	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2H+Na"	25.00377
"1269220"	424.913986	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+CH3OH+H"	33.033486
"391320"	822.724158	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+K"	38.963158
"752431"	1214.604658	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+K"	38.963158
"1554368"	430.843658	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+K"	38.963158
"312638"	411.865717	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+H+K"	39.970434
"706765"	607.805967	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+H+K"	39.970434
"1461271"	215.925467	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H+K"	39.970434
"249794"	825.794826	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+ACN+H"	42.033826
"1224083"	433.914326	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+ACN+H"	42.033826
"1202746"	217.460801	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+ACN+2H"	43.041102
"198897"	828.73216	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+2Na-H"	44.97116
"638459"	1220.61266	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+2Na-H"	44.97116
"1141965"	436.85166	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2Na-H"	44.97116
"185254"	414.869718	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+2Na"	45.978436
"625914"	610.809968	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+2Na"	45.978436
"1130516"	218.929468	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2Na"	45.978436
"1413069"	146.288737333333	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H+2Na"	46.985712
"1444577"	438.893246	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H+HCOOH"	47.012746
"235123"	419.90274	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+3H2O+2H"	56.04448
"1522823"	452.94529	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+IsoProp+H"	61.06479
"423965"	422.856688	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+Na+K"	61.952376
"785204"	618.796938	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+Na+K"	61.952376
"1680688"	226.916438	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Na+K"	61.952376
"266885"	847.776768	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+ACN+Na"	64.015768
"1240640"	455.896268	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+ACN+Na"	64.015768
"1728193"	455.919793	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+NH4+HCOOH"	64.039293
"1191841"	153.616051333333	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+3Na"	68.967654
"1659911"	460.875188	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Na+HCOOH"	68.994688
"166772"	860.68004	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+2K-H"	76.91904
"607425"	1252.56054	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+2K-H"	76.91904
"1096312"	468.79954	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2K-H"	76.91904
"156422"	430.843658	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"2M+2K"	77.926316
"596588"	626.783908	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"3M+2K"	77.926316
"1083413"	234.903408	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2K"	77.926316
"1115170"	470.814092	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2K+H"	78.933592
"1350091"	470.901707	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+DMSO+H"	79.021207
"1020970"	474.940876	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2ACN+H"	83.060376
"1539625"	475.934508	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+IsoProp+Na+H"	84.054008
"1005384"	237.974076	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+2ACN+2H"	84.067652
"1602065"	476.849128	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+K+HCOOH"	84.968628
"1429182"	506.880638	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+H+CF3COOH"	115.000138
"1162263"	258.487351	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+3ACN+2H"	125.094202
"1711933"	523.907185	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+NH4+CF3COOH"	132.026685
"1649407"	528.86258	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+Na+CF3COOH"	136.98208
"1579952"	544.83652	"C18966"	"Bromophos-ethyl"	"C10H12BrCl2O3PS"	"391.8805"	"M+K+CF3COOH"	152.95602
"804850"	325.9644	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M"	0
"977288"	306.94601	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-H2O-H"	-19.01839
"63218"	216.302324	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M-3H"	-3.021828
"507280"	324.957124	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M-3H"	-3.021828
"880703"	107.647524	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-3H"	-3.021828
"2191"	324.957124	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M-2H"	-2.014552
"446500"	487.939324	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M-2H"	-2.014552
"823209"	161.974924	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-2H"	-2.014552
"86482"	650.921524	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M-H"	-1.007276
"534115"	976.885924	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M-H"	-1.007276
"911239"	324.957124	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-H"	-1.007276
"61876"	667.948071	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M-2H+NH4"	16.019271
"501067"	993.912471	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M-2H+NH4"	16.019271
"875587"	341.983671	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-2H+NH4"	16.019271
"39113"	672.903466	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M-2H+Na"	20.974666
"480861"	998.867866	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M-2H+Na"	20.974666
"853195"	346.939066	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-2H+Na"	20.974666
"1620542"	346.939066	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Na-2H"	20.974666
"94718"	342.945463	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M-H+Cl"	33.962126
"534638"	505.927663	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M-H+Cl"	33.962126
"927831"	179.963263	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-H+Cl"	33.962126
"268576"	686.898202	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+Cl"	34.969402
"661122"	1012.862602	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+Cl"	34.969402
"1274620"	360.933802	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Cl"	34.969402
"16808"	688.877406	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M-2H+K"	36.948606
"462208"	1014.841806	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M-2H+K"	36.948606
"848246"	362.913006	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-2H+K"	36.948606
"1566787"	362.913006	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+K-2H"	36.948606
"956860"	370.962594	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-H+HCOOH"	44.998194
"375802"	696.927001	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+HCOOH-H"	44.998201
"355677"	710.942651	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+Hac-H"	59.013851
"1503415"	384.978251	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Hac-H"	59.013851
"972783"	392.944551	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-H+NaCOOH"	66.980151
"123147"	360.933802	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+2Cl"	69.938804
"560520"	523.916002	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+2Cl"	69.938804
"1030413"	197.951602	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2Cl"	69.938804
"1254366"	404.883285	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Br"	78.918885
"1317907"	406.939272	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Cl+HCOOH"	80.974872
"1332125"	428.921229	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Cl+NaCOOH"	102.956829
"917722"	438.949986	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M-H+CF3COOH"	112.985586
"1295523"	474.926664	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Cl+CF3COOH"	148.962264
"1371496"	290.951724	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H-2H2O"	-35.012676
"1394459"	308.9617	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H-H2O"	-17.0027
"289771"	652.936076	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+H"	1.007276
"691205"	978.900476	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+H"	1.007276
"1366782"	326.971676	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H"	1.007276
"136900"	326.971676	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+2H"	2.014552
"576459"	489.953876	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+2H"	2.014552
"1046351"	163.989476	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2H"	2.014552
"216456"	218.316876	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+3H"	3.021828
"655653"	326.971676	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+3H"	3.021828
"1173778"	109.662076	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+3H"	3.021828
"431948"	669.962623	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+NH4"	18.033823
"792943"	995.927023	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+NH4"	18.033823
"1687088"	343.998223	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+NH4"	18.033823
"338646"	335.4849495	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+H+NH4"	19.041099
"726327"	498.4671495	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+H+NH4"	19.041099
"1478687"	172.5027495	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H+NH4"	19.041099
"396275"	674.918018	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+Na"	22.989218
"760186"	1000.882418	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+Na"	22.989218
"1606099"	348.953618	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Na"	22.989218
"319415"	337.962647	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+H+Na"	23.996494
"718395"	500.944847	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+H+Na"	23.996494
"1473309"	174.980447	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H+Na"	23.996494
"1065093"	116.98939	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2H+Na"	25.00377
"1266044"	358.997886	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+CH3OH+H"	33.033486
"387901"	690.891958	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+K"	38.963158
"747802"	1016.856358	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+K"	38.963158
"1552408"	364.927558	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+K"	38.963158
"310316"	345.949617	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+H+K"	39.970434
"706388"	508.931817	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+H+K"	39.970434
"1460938"	182.967417	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H+K"	39.970434
"245894"	693.962626	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+ACN+H"	42.033826
"1223341"	367.998226	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+ACN+H"	42.033826
"1201762"	184.502751	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+ACN+2H"	43.041102
"195727"	696.89996	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+2Na-H"	44.97116
"642944"	1022.86436	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+2Na-H"	44.97116
"1140982"	370.93556	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2Na-H"	44.97116
"185364"	348.953618	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+2Na"	45.978436
"626754"	511.935818	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+2Na"	45.978436
"1130261"	185.971418	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2Na"	45.978436
"1413870"	124.316704	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H+2Na"	46.985712
"1445528"	372.977146	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H+HCOOH"	47.012746
"235353"	353.98664	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+3H2O+2H"	56.04448
"1523417"	387.02919	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+IsoProp+H"	61.06479
"423954"	356.940588	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+Na+K"	61.952376
"784340"	519.922788	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+Na+K"	61.952376
"1681284"	193.958388	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Na+K"	61.952376
"266830"	715.944568	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+ACN+Na"	64.015768
"1240587"	389.980168	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+ACN+Na"	64.015768
"1727691"	390.003693	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+NH4+HCOOH"	64.039293
"1191585"	131.644018	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+3Na"	68.967654
"1662208"	394.959088	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Na+HCOOH"	68.994688
"166882"	728.84784	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+2K-H"	76.91904
"608628"	1054.81224	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+2K-H"	76.91904
"1097151"	402.88344	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2K-H"	76.91904
"157048"	364.927558	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"2M+2K"	77.926316
"597029"	527.909758	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"3M+2K"	77.926316
"1083888"	201.945358	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2K"	77.926316
"1115235"	404.897992	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2K+H"	78.933592
"1350809"	404.985607	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+DMSO+H"	79.021207
"1021259"	409.024776	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2ACN+H"	83.060376
"1539793"	410.018408	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+IsoProp+Na+H"	84.054008
"1005572"	205.016026	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+2ACN+2H"	84.067652
"1601081"	410.933028	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+K+HCOOH"	84.968628
"1429753"	440.964538	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+H+CF3COOH"	115.000138
"1162759"	225.529301	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+3ACN+2H"	125.094202
"1710950"	457.991085	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+NH4+CF3COOH"	132.026685
"1649275"	462.94648	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+Na+CF3COOH"	136.98208
"1580062"	478.92042	"C18967"	"Butonate"	"C8H14Cl3O5P"	"325.9644"	"M+K+CF3COOH"	152.95602
"807147"	341.9739	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M"	0
"976305"	322.95551	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-H2O-H"	-19.01839
"64907"	226.975324	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M-3H"	-3.021828
"509577"	340.966624	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M-3H"	-3.021828
"882272"	112.984024	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-3H"	-3.021828
"3761"	340.966624	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M-2H"	-2.014552
"446610"	511.953574	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M-2H"	-2.014552
"824411"	169.979674	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-2H"	-2.014552
"85499"	682.940524	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M-H"	-1.007276
"533701"	1024.914424	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M-H"	-1.007276
"908697"	340.966624	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-H"	-1.007276
"62229"	699.967071	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M-2H+NH4"	16.019271
"500572"	1041.940971	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M-2H+NH4"	16.019271
"877277"	357.993171	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-2H+NH4"	16.019271
"40316"	704.922466	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M-2H+Na"	20.974666
"480971"	1046.896366	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M-2H+Na"	20.974666
"853669"	362.948566	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-2H+Na"	20.974666
"1621380"	362.948566	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Na-2H"	20.974666
"94991"	358.954963	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M-H+Cl"	33.962126
"536372"	529.941913	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M-H+Cl"	33.962126
"927738"	187.968013	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-H+Cl"	33.962126
"268806"	718.917202	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+Cl"	34.969402
"660868"	1060.891102	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+Cl"	34.969402
"1275459"	376.943302	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Cl"	34.969402
"15983"	720.896406	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M-2H+K"	36.948606
"462318"	1062.870306	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M-2H+K"	36.948606
"847661"	378.922506	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-2H+K"	36.948606
"1569933"	378.922506	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+K-2H"	36.948606
"947125"	386.972094	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-H+HCOOH"	44.998194
"375184"	728.946001	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+HCOOH-H"	44.998201
"358703"	742.961651	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+Hac-H"	59.013851
"1505714"	400.987751	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Hac-H"	59.013851
"973743"	408.954051	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-H+NaCOOH"	66.980151
"122892"	376.943302	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+2Cl"	69.938804
"565006"	547.930252	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+2Cl"	69.938804
"1033804"	205.956352	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2Cl"	69.938804
"1253383"	420.892785	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Br"	78.918885
"1314736"	422.948772	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Cl+HCOOH"	80.974872
"1326767"	444.930729	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Cl+NaCOOH"	102.956829
"917832"	454.959486	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M-H+CF3COOH"	112.985586
"1295633"	490.936164	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Cl+CF3COOH"	148.962264
"1371606"	306.961224	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H-2H2O"	-35.012676
"1393476"	324.9712	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H-H2O"	-17.0027
"289881"	684.955076	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+H"	1.007276
"687772"	1026.928976	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+H"	1.007276
"1363755"	342.981176	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H"	1.007276
"138103"	342.981176	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+2H"	2.014552
"576569"	513.968126	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+2H"	2.014552
"1046461"	171.994226	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2H"	2.014552
"216201"	228.989876	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+3H"	3.021828
"658313"	342.981176	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+3H"	3.021828
"1176802"	114.998576	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+3H"	3.021828
"436066"	701.981623	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+NH4"	18.033823
"796332"	1043.955523	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+NH4"	18.033823
"1692298"	360.007723	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+NH4"	18.033823
"339849"	351.4944495	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+H+NH4"	19.041099
"732271"	522.4813995	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+H+NH4"	19.041099
"1482810"	180.5074995	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H+NH4"	19.041099
"396022"	706.937018	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+Na"	22.989218
"759203"	1048.910918	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+Na"	22.989218
"1607303"	364.963118	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Na"	22.989218
"321712"	353.972147	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+H+Na"	23.996494
"717411"	524.959097	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+H+Na"	23.996494
"1474148"	182.985197	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H+Na"	23.996494
"1059008"	122.32589	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2H+Na"	25.00377
"1268342"	375.007386	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+CH3OH+H"	33.033486
"389104"	722.910958	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+K"	38.963158
"747911"	1064.884858	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+K"	38.963158
"1553246"	380.937058	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+K"	38.963158
"312492"	361.959117	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+H+K"	39.970434
"706620"	532.946067	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+H+K"	39.970434
"1460561"	190.972167	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H+K"	39.970434
"248193"	725.981626	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+ACN+H"	42.033826
"1223089"	384.007726	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+ACN+H"	42.033826
"1202965"	192.507501	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+ACN+2H"	43.041102
"196930"	728.91896	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+2Na-H"	44.97116
"641597"	1070.89286	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+2Na-H"	44.97116
"1141092"	386.94506	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2Na-H"	44.97116
"185110"	364.963118	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+2Na"	45.978436
"627228"	535.950068	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+2Na"	45.978436
"1130006"	193.976168	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2Na"	45.978436
"1413410"	129.653204	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H+2Na"	46.985712
"1445448"	388.986646	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H+HCOOH"	47.012746
"235302"	369.99614	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+3H2O+2H"	56.04448
"1521583"	403.03869	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+IsoProp+H"	61.06479
"423820"	372.950088	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+Na+K"	61.952376
"784451"	543.937038	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+Na+K"	61.952376
"1678594"	201.963138	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Na+K"	61.952376
"266207"	747.963568	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+ACN+Na"	64.015768
"1239644"	405.989668	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+ACN+Na"	64.015768
"1726709"	406.013193	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+NH4+HCOOH"	64.039293
"1192424"	136.980518	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+3Na"	68.967654
"1660496"	410.968588	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Na+HCOOH"	68.994688
"167357"	760.86684	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+2K-H"	76.91904
"607645"	1102.84074	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+2K-H"	76.91904
"1094343"	418.89294	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2K-H"	76.91904
"157125"	380.937058	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"2M+2K"	77.926316
"595831"	551.924008	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"3M+2K"	77.926316
"1084114"	209.950108	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2K"	77.926316
"1115504"	420.907492	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2K+H"	78.933592
"1351310"	420.995107	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+DMSO+H"	79.021207
"1021218"	425.034276	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2ACN+H"	83.060376
"1539742"	426.027908	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+IsoProp+Na+H"	84.054008
"1004872"	213.020776	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+2ACN+2H"	84.067652
"1602163"	426.942528	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+K+HCOOH"	84.968628
"1429646"	456.974038	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+H+CF3COOH"	115.000138
"1162754"	233.534051	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+3ACN+2H"	125.094202
"1712032"	474.000585	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+NH4+CF3COOH"	132.026685
"1649749"	478.95598	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+Na+CF3COOH"	136.98208
"1580172"	494.92992	"C18968"	"Carbophenothion"	"C11H16ClO2PS3"	"341.9739"	"M+K+CF3COOH"	152.95602
"807256"	332.0151	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M"	0
"979695"	312.99671	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-H2O-H"	-19.01839
"64291"	220.336124	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M-3H"	-3.021828
"510780"	331.007824	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M-3H"	-3.021828
"882019"	109.664424	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-3H"	-3.021828
"1686"	331.007824	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M-2H"	-2.014552
"445626"	497.015374	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M-2H"	-2.014552
"823426"	165.000274	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-2H"	-2.014552
"86702"	663.022924	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M-H"	-1.007276
"527358"	995.038024	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M-H"	-1.007276
"908076"	331.007824	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-H"	-1.007276
"60997"	680.049471	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M-2H+NH4"	16.019271
"499952"	1012.064571	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M-2H+NH4"	16.019271
"877872"	348.034371	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-2H+NH4"	16.019271
"40425"	685.004866	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M-2H+Na"	20.974666
"481081"	1017.019966	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M-2H+Na"	20.974666
"853050"	352.989766	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-2H+Na"	20.974666
"1622219"	352.989766	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Na-2H"	20.974666
"96924"	348.996163	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M-H+Cl"	33.962126
"538306"	515.003713	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M-H+Cl"	33.962126
"930726"	182.988613	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-H+Cl"	33.962126
"268552"	698.999602	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+Cl"	34.969402
"662800"	1031.014702	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+Cl"	34.969402
"1276662"	366.984502	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Cl"	34.969402
"17269"	700.978806	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M-2H+K"	36.948606
"459511"	1032.993906	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M-2H+K"	36.948606
"846069"	368.963706	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-2H+K"	36.948606
"1569192"	368.963706	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+K-2H"	36.948606
"947235"	377.013294	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-H+HCOOH"	44.998194
"372012"	709.028401	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+HCOOH-H"	44.998201
"357720"	723.044051	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+Hac-H"	59.013851
"1505459"	391.028951	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Hac-H"	59.013851
"969362"	398.995251	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-H+NaCOOH"	66.980151
"122275"	366.984502	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+2Cl"	69.938804
"560745"	532.992052	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+2Cl"	69.938804
"1033554"	200.976952	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2Cl"	69.938804
"1251306"	410.933985	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Br"	78.918885
"1317399"	412.989972	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Cl+HCOOH"	80.974872
"1329064"	434.971929	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Cl+NaCOOH"	102.956829
"917937"	445.000686	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M-H+CF3COOH"	112.985586
"1299019"	480.977364	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Cl+CF3COOH"	148.962264
"1369647"	297.002424	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H-2H2O"	-35.012676
"1392494"	315.0124	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H-H2O"	-17.0027
"292178"	665.037476	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+H"	1.007276
"688613"	997.052576	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+H"	1.007276
"1363865"	333.022376	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H"	1.007276
"138213"	333.022376	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+2H"	2.014552
"576679"	499.029926	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+2H"	2.014552
"1046571"	167.014826	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2H"	2.014552
"218498"	222.350676	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+3H"	3.021828
"658790"	333.022376	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+3H"	3.021828
"1176550"	111.678976	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+3H"	3.021828
"434357"	682.064023	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+NH4"	18.033823
"794258"	1014.079123	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+NH4"	18.033823
"1690587"	350.048923	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+NH4"	18.033823
"338868"	341.5356495	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+H+NH4"	19.041099
"734568"	507.5431995	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+H+NH4"	19.041099
"1482920"	175.5280995	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H+NH4"	19.041099
"401600"	687.019418	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+Na"	22.989218
"761501"	1019.034518	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+Na"	22.989218
"1606320"	355.004318	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Na"	22.989218
"321823"	344.013347	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+H+Na"	23.996494
"718251"	510.020897	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+H+Na"	23.996494
"1474624"	178.005797	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H+Na"	23.996494
"1060211"	119.00629	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2H+Na"	25.00377
"1268452"	365.048586	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+CH3OH+H"	33.033486
"388122"	702.993358	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+K"	38.963158
"746928"	1035.008458	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+K"	38.963158
"1552628"	370.978258	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+K"	38.963158
"311995"	352.000317	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+H+K"	39.970434
"706610"	518.007867	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+H+K"	39.970434
"1460674"	185.992767	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H+K"	39.970434
"249763"	706.064026	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+ACN+H"	42.033826
"1224294"	374.048926	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+ACN+H"	42.033826
"1201983"	187.528101	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+ACN+2H"	43.041102
"198133"	709.00136	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+2Na-H"	44.97116
"639885"	1041.01646	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+2Na-H"	44.97116
"1142296"	376.98626	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2Na-H"	44.97116
"184130"	355.004318	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+2Na"	45.978436
"625519"	521.011868	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+2Na"	45.978436
"1129022"	188.996768	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2Na"	45.978436
"1409993"	126.333604	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H+2Na"	46.985712
"1443935"	379.027846	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H+HCOOH"	47.012746
"233266"	360.03734	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+3H2O+2H"	56.04448
"1520965"	393.07989	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+IsoProp+H"	61.06479
"423891"	362.991288	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+Na+K"	61.952376
"784805"	528.998838	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+Na+K"	61.952376
"1680527"	196.983738	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Na+K"	61.952376
"265224"	728.045968	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+ACN+Na"	64.015768
"1240119"	396.030868	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+ACN+Na"	64.015768
"1727305"	396.054393	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+NH4+HCOOH"	64.039293
"1189255"	133.660918	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+3Na"	68.967654
"1660606"	401.009788	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Na+HCOOH"	68.994688
"167831"	740.94924	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+2K-H"	76.91904
"608848"	1072.96434	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+2K-H"	76.91904
"1091538"	408.93414	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2K-H"	76.91904
"156507"	370.978258	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"2M+2K"	77.926316
"594967"	536.985808	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"3M+2K"	77.926316
"1083497"	204.970708	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2K"	77.926316
"1115617"	410.948692	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2K+H"	78.933592
"1351314"	411.036307	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+DMSO+H"	79.021207
"1021057"	415.075476	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2ACN+H"	83.060376
"1539795"	416.069108	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+IsoProp+Na+H"	84.054008
"1005467"	208.041376	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+2ACN+2H"	84.067652
"1601302"	416.983728	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+K+HCOOH"	84.968628
"1429517"	447.015238	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+H+CF3COOH"	115.000138
"1162594"	228.554651	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+3ACN+2H"	125.094202
"1708981"	464.041785	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+NH4+CF3COOH"	132.026685
"1649740"	468.99718	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+Na+CF3COOH"	136.98208
"1580282"	484.97112	"C18969"	"Chlorphoxim"	"C12H14ClN2O3PS"	"332.0151"	"M+K+CF3COOH"	152.95602
"807367"	359.9577	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M"	0
"978713"	340.93931	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-H2O-H"	-19.01839
"68048"	238.964524	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M-3H"	-3.021828
"510890"	358.950424	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M-3H"	-3.021828
"880185"	118.978624	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-3H"	-3.021828
"2889"	358.950424	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M-2H"	-2.014552
"450111"	538.929274	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M-2H"	-2.014552
"829005"	178.971574	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-2H"	-2.014552
"86812"	718.908124	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M-H"	-1.007276
"527468"	1078.865824	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M-H"	-1.007276
"908550"	358.950424	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-H"	-1.007276
"61592"	735.934671	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M-2H+NH4"	16.019271
"502463"	1095.892371	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M-2H+NH4"	16.019271
"878103"	375.976971	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-2H+NH4"	16.019271
"43815"	740.890066	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M-2H+Na"	20.974666
"481191"	1100.847766	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M-2H+Na"	20.974666
"852796"	380.932366	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-2H+Na"	20.974666
"1623058"	380.932366	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Na-2H"	20.974666
"99585"	376.938763	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M-H+Cl"	33.962126
"540238"	556.917613	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M-H+Cl"	33.962126
"929742"	196.959913	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-H+Cl"	33.962126
"269756"	754.884802	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+Cl"	34.969402
"664004"	1114.842502	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+Cl"	34.969402
"1276406"	394.927102	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Cl"	34.969402
"17503"	756.864006	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M-2H+K"	36.948606
"462538"	1116.821706	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M-2H+K"	36.948606
"848127"	396.906306	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-2H+K"	36.948606
"1566023"	396.906306	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+K-2H"	36.948606
"948438"	404.955894	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-H+HCOOH"	44.998194
"373949"	764.913601	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+HCOOH-H"	44.998201
"356007"	778.929251	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+Hac-H"	59.013851
"1505569"	418.971551	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Hac-H"	59.013851
"970200"	426.937851	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-H+NaCOOH"	66.980151
"119106"	394.927102	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+2Cl"	69.938804
"560855"	574.905952	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+2Cl"	69.938804
"1034028"	214.948252	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2Cl"	69.938804
"1251416"	438.876585	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Br"	78.918885
"1318482"	440.932572	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Cl+HCOOH"	80.974872
"1331361"	462.914529	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Cl+NaCOOH"	102.956829
"915860"	472.943286	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M-H+CF3COOH"	112.985586
"1295850"	508.919964	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Cl+CF3COOH"	148.962264
"1378387"	324.945024	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H-2H2O"	-35.012676
"1393695"	342.955	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H-H2O"	-17.0027
"289008"	720.922676	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+H"	1.007276
"688722"	1080.880376	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+H"	1.007276
"1362882"	360.964976	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H"	1.007276
"137595"	360.964976	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+2H"	2.014552
"578612"	540.943826	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+2H"	2.014552
"1046681"	180.986126	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2H"	2.014552
"216782"	240.979076	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+3H"	3.021828
"656342"	360.964976	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+3H"	3.021828
"1178115"	120.993176	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+3H"	3.021828
"435561"	737.949223	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+NH4"	18.033823
"797648"	1097.906923	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+NH4"	18.033823
"1693977"	377.991523	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+NH4"	18.033823
"340071"	369.4782495	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+H+NH4"	19.041099
"734678"	549.4570995	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+H+NH4"	19.041099
"1485216"	189.4993995	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H+NH4"	19.041099
"396242"	742.904618	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+Na"	22.989218
"762705"	1102.862318	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+Na"	22.989218
"1610802"	382.946918	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Na"	22.989218
"325214"	371.955947	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+H+Na"	23.996494
"719458"	551.934797	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+H+Na"	23.996494
"1476477"	191.977097	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H+Na"	23.996494
"1065061"	128.32049	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2H+Na"	25.00377
"1268930"	392.991186	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+CH3OH+H"	33.033486
"388596"	758.878558	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+K"	38.963158
"748131"	1118.836258	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+K"	38.963158
"1552373"	398.920858	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+K"	38.963158
"312834"	379.942917	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+H+K"	39.970434
"705874"	559.921767	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+H+K"	39.970434
"1460422"	199.964067	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H+K"	39.970434
"248415"	761.949226	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+ACN+H"	42.033826
"1224160"	401.991526	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+ACN+H"	42.033826
"1202094"	201.499401	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+ACN+2H"	43.041102
"198243"	764.88656	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+2Na-H"	44.97116
"637808"	1124.84426	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+2Na-H"	44.97116
"1140219"	404.92886	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2Na-H"	44.97116
"183508"	382.946918	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+2Na"	45.978436
"624168"	562.925768	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+2Na"	45.978436
"1126214"	202.968068	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2Na"	45.978436
"1410103"	135.647804	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H+2Na"	46.985712
"1443681"	406.970446	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H+HCOOH"	47.012746
"229732"	387.97994	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+3H2O+2H"	56.04448
"1519982"	421.02249	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+IsoProp+H"	61.06479
"421122"	390.933888	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+Na+K"	61.952376
"781759"	570.912738	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+Na+K"	61.952376
"1676627"	210.955038	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Na+K"	61.952376
"262782"	783.931168	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+ACN+Na"	64.015768
"1239133"	423.973468	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+ACN+Na"	64.015768
"1726931"	423.996993	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+NH4+HCOOH"	64.039293
"1189730"	142.975118	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+3Na"	68.967654
"1660350"	428.952388	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Na+HCOOH"	68.994688
"167941"	796.83444	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+2K-H"	76.91904
"608958"	1156.79214	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+2K-H"	76.91904
"1093834"	436.87674	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2K-H"	76.91904
"156255"	398.920858	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"2M+2K"	77.926316
"593862"	578.899708	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"3M+2K"	77.926316
"1083120"	218.942008	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2K"	77.926316
"1115080"	438.891292	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2K+H"	78.933592
"1349918"	438.978907	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+DMSO+H"	79.021207
"1018687"	443.018076	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2ACN+H"	83.060376
"1539492"	444.011708	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+IsoProp+Na+H"	84.054008
"1004721"	222.012676	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+2ACN+2H"	84.067652
"1601775"	444.926328	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+K+HCOOH"	84.968628
"1429502"	474.957838	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+H+CF3COOH"	115.000138
"1158447"	242.525951	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+3ACN+2H"	125.094202
"1710184"	491.984385	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+NH4+CF3COOH"	132.026685
"1645835"	496.93978	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+Na+CF3COOH"	136.98208
"1580392"	512.91372	"C18970"	"Chlorthiophos"	"C11H15Cl2O3PS2"	"359.9577"	"M+K+CF3COOH"	152.95602
"804197"	314.0919	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M"	0
"977730"	295.07351	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-H2O-H"	-19.01839
"68158"	208.387324	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M-3H"	-3.021828
"503707"	313.084624	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M-3H"	-3.021828
"880016"	103.690024	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-3H"	-3.021828
"283"	313.084624	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M-2H"	-2.014552
"450221"	470.130574	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M-2H"	-2.014552
"830938"	156.038674	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-2H"	-2.014552
"86922"	627.176524	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M-H"	-1.007276
"527578"	941.268424	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M-H"	-1.007276
"905380"	313.084624	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-H"	-1.007276
"59757"	644.203071	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M-2H+NH4"	16.019271
"498223"	958.294971	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M-2H+NH4"	16.019271
"869463"	330.111171	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-2H+NH4"	16.019271
"40645"	649.158466	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M-2H+Na"	20.974666
"478018"	963.250366	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M-2H+Na"	20.974666
"855822"	335.066566	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-2H+Na"	20.974666
"1623533"	335.066566	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Na-2H"	20.974666
"101883"	331.072963	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M-H+Cl"	33.962126
"541442"	488.118913	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M-H+Cl"	33.962126
"930946"	174.027013	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-H+Cl"	33.962126
"274606"	663.153202	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+Cl"	34.969402
"664115"	977.245102	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+Cl"	34.969402
"1276516"	349.061302	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Cl"	34.969402
"18342"	665.132406	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M-2H+K"	36.948606
"463741"	979.224306	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M-2H+K"	36.948606
"848278"	351.040506	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-2H+K"	36.948606
"1565040"	351.040506	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+K-2H"	36.948606
"948548"	359.090094	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-H+HCOOH"	44.998194
"373330"	673.182001	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+HCOOH-H"	44.998201
"356117"	687.197651	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+Hac-H"	59.013851
"1503856"	373.105751	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Hac-H"	59.013851
"970310"	381.072051	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-H+NaCOOH"	66.980151
"121402"	349.061302	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+2Cl"	69.938804
"562058"	506.107252	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+2Cl"	69.938804
"1034138"	192.015352	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2Cl"	69.938804
"1250433"	393.010785	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Br"	78.918885
"1317984"	395.066772	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Cl+HCOOH"	80.974872
"1331471"	417.048729	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Cl+NaCOOH"	102.956829
"915970"	427.077486	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M-H+CF3COOH"	112.985586
"1295960"	463.054164	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Cl+CF3COOH"	148.962264
"1375217"	279.079224	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H-2H2O"	-35.012676
"1394898"	297.0892	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H-H2O"	-17.0027
"289118"	629.191076	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+H"	1.007276
"687738"	943.282976	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+H"	1.007276
"1361169"	315.099176	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H"	1.007276
"137340"	315.099176	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+2H"	2.014552
"579086"	472.145126	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+2H"	2.014552
"1046791"	158.053226	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2H"	2.014552
"211424"	210.401876	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+3H"	3.021828
"654265"	315.099176	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+3H"	3.021828
"1173483"	105.704576	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+3H"	3.021828
"429100"	646.217623	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+NH4"	18.033823
"795573"	960.309523	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+NH4"	18.033823
"1691901"	332.125723	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+NH4"	18.033823
"339087"	323.6124495	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+H+NH4"	19.041099
"733695"	480.6583995	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+H+NH4"	19.041099
"1482046"	166.5664995	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H+NH4"	19.041099
"398539"	651.173018	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+Na"	22.989218
"759534"	965.264918	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+Na"	22.989218
"1608727"	337.081118	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Na"	22.989218
"319858"	326.090147	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+H+Na"	23.996494
"718837"	483.136097	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+H+Na"	23.996494
"1475207"	169.044197	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H+Na"	23.996494
"1062619"	113.03189	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2H+Na"	25.00377
"1267216"	347.125386	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+CH3OH+H"	33.033486
"386154"	667.146958	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+K"	38.963158
"742774"	981.238858	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+K"	38.963158
"1552483"	353.055058	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+K"	38.963158
"311850"	334.077117	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+H+K"	39.970434
"706347"	491.123067	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+H+K"	39.970434
"1461021"	177.031167	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H+K"	39.970434
"248524"	670.217626	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+ACN+H"	42.033826
"1223419"	356.125726	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+ACN+H"	42.033826
"1209370"	178.566501	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+ACN+2H"	43.041102
"201995"	673.15496	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+2Na-H"	44.97116
"639011"	987.24686	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+2Na-H"	44.97116
"1142151"	359.06306	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2Na-H"	44.97116
"184347"	337.081118	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+2Na"	45.978436
"622819"	494.127068	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+2Na"	45.978436
"1124501"	180.035168	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2Na"	45.978436
"1411307"	120.359204	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H+2Na"	46.985712
"1443790"	361.104646	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H+HCOOH"	47.012746
"232757"	342.11414	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+3H2O+2H"	56.04448
"1519363"	375.15669	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+IsoProp+H"	61.06479
"420140"	345.068088	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+Na+K"	61.952376
"778225"	502.114038	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+Na+K"	61.952376
"1676373"	188.022138	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Na+K"	61.952376
"262528"	692.199568	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+ACN+Na"	64.015768
"1238515"	378.107668	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+ACN+Na"	64.015768
"1724126"	378.131193	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+NH4+HCOOH"	64.039293
"1190933"	127.686518	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+3Na"	68.967654
"1663374"	383.086588	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Na+HCOOH"	68.994688
"168415"	705.10284	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+2K-H"	76.91904
"610160"	1019.19474	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+2K-H"	76.91904
"1093579"	391.01094	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2K-H"	76.91904
"155630"	353.055058	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"2M+2K"	77.926316
"592149"	510.101008	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"3M+2K"	77.926316
"1082132"	196.009108	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2K"	77.926316
"1114498"	393.025492	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2K+H"	78.933592
"1349175"	393.113107	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+DMSO+H"	79.021207
"1018797"	397.152276	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2ACN+H"	83.060376
"1538383"	398.145908	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+IsoProp+Na+H"	84.054008
"1003005"	199.079776	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+2ACN+2H"	84.067652
"1600789"	399.060528	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+K+HCOOH"	84.968628
"1427542"	429.092038	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+H+CF3COOH"	115.000138
"1158557"	219.593051	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+3ACN+2H"	125.094202
"1709200"	446.118585	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+NH4+CF3COOH"	132.026685
"1645945"	451.07398	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+Na+CF3COOH"	136.98208
"1577222"	467.04792	"C18971"	"Crotoxyphos;Crotoxyfos"	"C14H19O6P"	"314.0919"	"M+K+CF3COOH"	152.95602
"804307"	291.0791	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M"	0
"978933"	272.06071	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-H2O-H"	-19.01839
"69361"	193.045457333333	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M-3H"	-3.021828
"504546"	290.071824	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M-3H"	-3.021828
"881255"	96.0190906666667	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-3H"	-3.021828
"2016"	290.071824	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M-2H"	-2.014552
"450330"	435.611374	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M-2H"	-2.014552
"830806"	144.532274	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-2H"	-2.014552
"87032"	581.150924	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M-H"	-1.007276
"527688"	872.230024	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M-H"	-1.007276
"900021"	290.071824	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-H"	-1.007276
"61569"	598.177471	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M-2H+NH4"	16.019271
"495052"	889.256571	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M-2H+NH4"	16.019271
"869573"	307.098371	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-2H+NH4"	16.019271
"35286"	603.132866	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M-2H+Na"	20.974666
"477034"	894.211966	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M-2H+Na"	20.974666
"855930"	312.053766	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-2H+Na"	20.974666
"1621820"	312.053766	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Na-2H"	20.974666
"100898"	308.060163	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M-H+Cl"	33.962126
"539365"	453.599713	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M-H+Cl"	33.962126
"933973"	162.520613	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-H+Cl"	33.962126
"274716"	617.127602	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+Cl"	34.969402
"662767"	908.206702	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+Cl"	34.969402
"1274802"	326.048502	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Cl"	34.969402
"17723"	619.106806	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M-2H+K"	36.948606
"463851"	910.185906	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M-2H+K"	36.948606
"847130"	328.027706	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-2H+K"	36.948606
"1567336"	328.027706	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+K-2H"	36.948606
"951937"	336.077294	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-H+HCOOH"	44.998194
"367975"	627.156401	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+HCOOH-H"	44.998201
"356234"	641.172051	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+Hac-H"	59.013851
"1502879"	350.092951	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Hac-H"	59.013851
"970420"	358.059251	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-H+NaCOOH"	66.980151
"119326"	326.048502	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+2Cl"	69.938804
"561074"	471.588052	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+2Cl"	69.938804
"1034248"	180.508952	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2Cl"	69.938804
"1249451"	369.997985	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Br"	78.918885
"1312995"	372.053972	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Cl+HCOOH"	80.974872
"1327211"	394.035929	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Cl+NaCOOH"	102.956829
"916080"	404.064686	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M-H+CF3COOH"	112.985586
"1296072"	440.041364	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Cl+CF3COOH"	148.962264
"1378608"	256.066424	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H-2H2O"	-35.012676
"1393915"	274.0764	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H-H2O"	-17.0027
"293606"	583.165476	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+H"	1.007276
"688213"	874.244576	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+H"	1.007276
"1361279"	292.086376	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H"	1.007276
"137450"	292.086376	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+2H"	2.014552
"578832"	437.625926	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+2H"	2.014552
"1046901"	146.546826	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2H"	2.014552
"211533"	195.060009333333	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+3H"	3.021828
"654375"	292.086376	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+3H"	3.021828
"1173593"	98.0336426666667	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+3H"	3.021828
"428117"	600.192023	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+NH4"	18.033823
"798598"	891.271123	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+NH4"	18.033823
"1689825"	309.112923	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+NH4"	18.033823
"340290"	300.5996495	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+H+NH4"	19.041099
"733805"	446.1391995	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+H+NH4"	19.041099
"1484345"	155.0600995	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H+NH4"	19.041099
"395003"	605.147418	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+Na"	22.989218
"761832"	896.226518	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+Na"	22.989218
"1611024"	314.068318	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Na"	22.989218
"322155"	303.077347	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+H+Na"	23.996494
"714574"	448.616897	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+H+Na"	23.996494
"1474956"	157.537797	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H+Na"	23.996494
"1065283"	105.360956666667	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2H+Na"	25.00377
"1267690"	324.112586	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+CH3OH+H"	33.033486
"386264"	621.121358	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+K"	38.963158
"743248"	912.200458	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+K"	38.963158
"1552593"	330.042258	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+K"	38.963158
"313053"	311.064317	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+H+K"	39.970434
"706213"	456.603867	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+H+K"	39.970434
"1461292"	165.524767	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H+K"	39.970434
"246811"	624.192026	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+ACN+H"	42.033826
"1223893"	333.112926	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+ACN+H"	42.033826
"1209359"	167.060101	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+ACN+2H"	43.041102
"201376"	627.12936	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+2Na-H"	44.97116
"639122"	918.20846	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+2Na-H"	44.97116
"1141533"	336.05026	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2Na-H"	44.97116
"183729"	314.068318	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+2Na"	45.978436
"620013"	459.607868	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+2Na"	45.978436
"1124611"	168.528768	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2Na"	45.978436
"1408865"	112.688270666667	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H+2Na"	46.985712
"1444998"	338.091846	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H+HCOOH"	47.012746
"234324"	319.10134	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+3H2O+2H"	56.04448
"1519472"	352.14389	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+IsoProp+H"	61.06479
"420248"	322.055288	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+Na+K"	61.952376
"780884"	467.594838	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+Na+K"	61.952376
"1676116"	176.515738	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Na+K"	61.952376
"261909"	646.173968	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+ACN+Na"	64.015768
"1237530"	355.094868	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+ACN+Na"	64.015768
"1723870"	355.118393	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+NH4+HCOOH"	64.039293
"1189584"	120.015584666667	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+3Na"	68.967654
"1661662"	360.073788	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Na+HCOOH"	68.994688
"165245"	659.07724	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+2K-H"	76.91904
"608083"	950.15634	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+2K-H"	76.91904
"1093689"	367.99814	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2K-H"	76.91904
"155376"	330.042258	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"2M+2K"	77.926316
"592258"	475.581808	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"3M+2K"	77.926316
"1081148"	184.502708	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2K"	77.926316
"1115173"	370.012692	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2K+H"	78.933592
"1349649"	370.100307	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+DMSO+H"	79.021207
"1017814"	374.139476	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2ACN+H"	83.060376
"1538492"	375.133108	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+IsoProp+Na+H"	84.054008
"1002749"	187.573376	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+2ACN+2H"	84.067652
"1599440"	376.047728	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+K+HCOOH"	84.968628
"1426193"	406.079238	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+H+CF3COOH"	115.000138
"1157573"	208.086651	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+3ACN+2H"	125.094202
"1708217"	423.105785	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+NH4+CF3COOH"	132.026685
"1642775"	428.06118	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+Na+CF3COOH"	136.98208
"1577332"	444.03512	"C18972"	"Crufomate"	"C12H19ClNO3P"	"291.0791"	"M+K+CF3COOH"	152.95602
"804781"	303.0483	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M"	0
"977950"	284.02991	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-H2O-H"	-19.01839
"68378"	201.024924	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M-3H"	-3.021828
"504656"	302.041024	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M-3H"	-3.021828
"880033"	100.008824	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-3H"	-3.021828
"2126"	302.041024	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M-2H"	-2.014552
"450440"	453.565174	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M-2H"	-2.014552
"823867"	150.516874	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-2H"	-2.014552
"82764"	605.089324	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M-H"	-1.007276
"527798"	908.137624	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M-H"	-1.007276
"899038"	302.041024	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-H"	-1.007276
"61559"	622.115871	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M-2H+NH4"	16.019271
"495162"	925.164171	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M-2H+NH4"	16.019271
"869683"	319.067571	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-2H+NH4"	16.019271
"34303"	627.071266	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M-2H+Na"	20.974666
"474958"	930.119566	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M-2H+Na"	20.974666
"859320"	324.022966	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-2H+Na"	20.974666
"1621930"	324.022966	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Na-2H"	20.974666
"98821"	320.029363	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M-H+Cl"	33.962126
"539475"	471.553513	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M-H+Cl"	33.962126
"930803"	168.505213	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-H+Cl"	33.962126
"277013"	641.066002	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+Cl"	34.969402
"665060"	944.114302	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+Cl"	34.969402
"1274545"	338.017702	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Cl"	34.969402
"20386"	643.045206	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M-2H+K"	36.948606
"457273"	946.093506	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M-2H+K"	36.948606
"845052"	339.996906	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-2H+K"	36.948606
"1560884"	339.996906	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+K-2H"	36.948606
"948767"	348.046494	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-H+HCOOH"	44.998194
"375369"	651.094801	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+HCOOH-H"	44.998201
"356343"	665.110451	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+Hac-H"	59.013851
"1502989"	362.062151	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Hac-H"	59.013851
"967249"	370.028451	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-H+NaCOOH"	66.980151
"119435"	338.017702	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+2Cl"	69.938804
"561184"	489.541852	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+2Cl"	69.938804
"1033264"	186.493552	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2Cl"	69.938804
"1249560"	381.967185	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Br"	78.918885
"1314197"	384.023172	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Cl+HCOOH"	80.974872
"1326227"	406.005129	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Cl+NaCOOH"	102.956829
"916190"	416.033886	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M-H+CF3COOH"	112.985586
"1298368"	452.010564	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Cl+CF3COOH"	148.962264
"1378354"	268.035624	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H-2H2O"	-35.012676
"1395118"	286.0456	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H-H2O"	-17.0027
"292618"	607.103876	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+H"	1.007276
"687229"	910.152176	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+H"	1.007276
"1360296"	304.055576	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H"	1.007276
"138653"	304.055576	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+2H"	2.014552
"578213"	455.579726	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+2H"	2.014552
"1048104"	152.531426	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2H"	2.014552
"211643"	203.039476	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+3H"	3.021828
"654485"	304.055576	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+3H"	3.021828
"1172610"	102.023376	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+3H"	3.021828
"427134"	624.130423	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+NH4"	18.033823
"795791"	927.178723	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+NH4"	18.033823
"1687749"	321.082123	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+NH4"	18.033823
"337119"	312.5688495	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+H+NH4"	19.041099
"729541"	464.0929995	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+H+NH4"	19.041099
"1480081"	161.0446995	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H+NH4"	19.041099
"398758"	629.085818	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+Na"	22.989218
"761940"	932.134118	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+Na"	22.989218
"1611132"	326.037518	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Na"	22.989218
"323353"	315.046547	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+H+Na"	23.996494
"717963"	466.570697	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+H+Na"	23.996494
"1472874"	163.522397	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H+Na"	23.996494
"1057373"	109.35069	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2H+Na"	25.00377
"1262331"	336.081786	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+CH3OH+H"	33.033486
"380177"	645.059758	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+K"	38.963158
"739227"	948.108058	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+K"	38.963158
"1552339"	342.011458	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+K"	38.963158
"310979"	323.033517	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+H+K"	39.970434
"704134"	474.557667	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+H+K"	39.970434
"1459048"	171.509367	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H+K"	39.970434
"245462"	648.130426	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+ACN+H"	42.033826
"1219629"	345.082126	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+ACN+H"	42.033826
"1206064"	173.044701	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+ACN+2H"	43.041102
"198206"	651.06776	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+2Na-H"	44.97116
"640325"	954.11606	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+2Na-H"	44.97116
"1143830"	348.01946	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2Na-H"	44.97116
"177276"	326.037518	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+2Na"	45.978436
"622675"	477.561668	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+2Na"	45.978436
"1126909"	174.513368	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2Na"	45.978436
"1409704"	116.678004	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H+2Na"	46.985712
"1444619"	350.061046	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H+HCOOH"	47.012746
"232613"	331.07054	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+3H2O+2H"	56.04448
"1521403"	364.11309	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+IsoProp+H"	61.06479
"419629"	334.024488	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+Na+K"	61.952376
"782453"	485.548638	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+Na+K"	61.952376
"1674040"	182.500338	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Na+K"	61.952376
"259467"	670.112368	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+ACN+Na"	64.015768
"1238368"	367.064068	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+ACN+Na"	64.015768
"1725066"	367.087593	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+NH4+HCOOH"	64.039293
"1188601"	124.005318	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+3Na"	68.967654
"1662500"	372.042988	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Na+HCOOH"	68.994688
"165355"	683.01564	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+2K-H"	76.91904
"607100"	986.06394	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+2K-H"	76.91904
"1093798"	379.96734	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2K-H"	76.91904
"154878"	342.011458	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"2M+2K"	77.926316
"591275"	493.535608	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"3M+2K"	77.926316
"1082230"	190.487308	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2K"	77.926316
"1115081"	381.981892	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2K+H"	78.933592
"1349759"	382.069507	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+DMSO+H"	79.021207
"1018288"	386.108676	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2ACN+H"	83.060376
"1538239"	387.102308	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+IsoProp+Na+H"	84.054008
"1003952"	193.557976	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+2ACN+2H"	84.067652
"1599550"	388.016928	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+K+HCOOH"	84.968628
"1425209"	418.048438	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+H+CF3COOH"	115.000138
"1157683"	214.071251	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+3ACN+2H"	125.094202
"1707234"	435.074985	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+NH4+CF3COOH"	132.026685
"1642885"	440.03038	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+Na+CF3COOH"	136.98208
"1577442"	456.00432	"C18973"	"Cyanofenphos"	"C15H14NO2PS"	"303.0483"	"M+K+CF3COOH"	152.95602
"804527"	294.0803	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M"	0
"981340"	275.06191	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-H2O-H"	-19.01839
"68488"	195.046257333333	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M-3H"	-3.021828
"503673"	293.073024	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M-3H"	-3.021828
"880377"	97.0194906666667	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-3H"	-3.021828
"1142"	293.073024	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M-2H"	-2.014552
"450550"	440.113174	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M-2H"	-2.014552
"826164"	146.032874	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-2H"	-2.014552
"82874"	587.153324	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M-H"	-1.007276
"527907"	881.233624	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M-H"	-1.007276
"900242"	293.073024	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-H"	-1.007276
"61180"	604.179871	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M-2H+NH4"	16.019271
"495273"	898.260171	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M-2H+NH4"	16.019271
"869793"	310.099571	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-2H+NH4"	16.019271
"34413"	609.135266	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M-2H+Na"	20.974666
"478348"	903.215566	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M-2H+Na"	20.974666
"859430"	315.054966	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-2H+Na"	20.974666
"1622040"	315.054966	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Na-2H"	20.974666
"97838"	311.061363	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M-H+Cl"	33.962126
"539584"	458.101513	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M-H+Cl"	33.962126
"932005"	164.021213	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-H+Cl"	33.962126
"274936"	623.130002	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+Cl"	34.969402
"662983"	917.210302	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+Cl"	34.969402
"1274290"	329.049702	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Cl"	34.969402
"20496"	625.109206	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M-2H+K"	36.948606
"457021"	919.189506	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M-2H+K"	36.948606
"844069"	331.028906	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-2H+K"	36.948606
"1565368"	331.028906	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+K-2H"	36.948606
"955072"	339.078494	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-H+HCOOH"	44.998194
"374022"	633.158801	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+HCOOH-H"	44.998201
"356453"	647.174451	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+Hac-H"	59.013851
"1500912"	353.094151	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Hac-H"	59.013851
"967359"	361.060451	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-H+NaCOOH"	66.980151
"118452"	329.049702	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+2Cl"	69.938804
"560200"	476.089852	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+2Cl"	69.938804
"1033374"	182.009552	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2Cl"	69.938804
"1251857"	372.999185	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Br"	78.918885
"1315401"	375.055172	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Cl+HCOOH"	80.974872
"1328524"	397.037129	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Cl+NaCOOH"	102.956829
"915207"	407.065886	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M-H+CF3COOH"	112.985586
"1299572"	443.042564	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Cl+CF3COOH"	148.962264
"1378829"	259.067624	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H-2H2O"	-35.012676
"1393043"	277.0776	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H-H2O"	-17.0027
"293823"	589.167876	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+H"	1.007276
"687339"	883.248176	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+H"	1.007276
"1360406"	295.087576	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H"	1.007276
"136578"	295.087576	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+2H"	2.014552
"577230"	442.127726	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+2H"	2.014552
"1047121"	148.047426	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2H"	2.014552
"210284"	197.060809333333	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+3H"	3.021828
"656418"	295.087576	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+3H"	3.021828
"1175637"	99.0340426666667	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+3H"	3.021828
"432710"	606.194423	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+NH4"	18.033823
"794809"	900.274723	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+NH4"	18.033823
"1690044"	312.114123	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+NH4"	18.033823
"336865"	303.6008495	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+H+NH4"	19.041099
"729651"	450.6409995	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+H+NH4"	19.041099
"1478369"	156.5606995	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H+NH4"	19.041099
"397775"	611.149818	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+Na"	22.989218
"760957"	905.230118	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+Na"	22.989218
"1607964"	317.069518	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Na"	22.989218
"323467"	306.078547	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+H+Na"	23.996494
"717710"	453.118697	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+H+Na"	23.996494
"1473351"	159.038397	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H+Na"	23.996494
"1059668"	106.361356666667	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2H+Na"	25.00377
"1260618"	327.113786	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+CH3OH+H"	33.033486
"377608"	627.123758	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+K"	38.963158
"738931"	921.204058	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+K"	38.963158
"1546252"	333.043458	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+K"	38.963158
"311817"	314.065517	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+H+K"	39.970434
"702057"	461.105667	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+H+K"	39.970434
"1459158"	167.025367	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H+K"	39.970434
"244843"	630.194426	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+ACN+H"	42.033826
"1218646"	336.114126	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+ACN+H"	42.033826
"1205445"	168.560701	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+ACN+2H"	43.041102
"197582"	633.13176	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+2Na-H"	44.97116
"639340"	927.21206	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+2Na-H"	44.97116
"1141750"	339.05146	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2Na-H"	44.97116
"176291"	317.069518	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+2Na"	45.978436
"622419"	464.109668	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+2Na"	45.978436
"1127748"	170.029368	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2Na"	45.978436
"1408720"	113.688670666667	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H+2Na"	46.985712
"1442299"	341.093046	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H+HCOOH"	47.012746
"231265"	322.10254	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+3H2O+2H"	56.04448
"1518963"	355.14509	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+IsoProp+H"	61.06479
"420833"	325.056488	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+Na+K"	61.952376
"780740"	472.096638	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+Na+K"	61.952376
"1675244"	178.016338	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Na+K"	61.952376
"262490"	652.176368	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+ACN+Na"	64.015768
"1239207"	358.096068	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+ACN+Na"	64.015768
"1723354"	358.119593	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+NH4+HCOOH"	64.039293
"1187613"	121.015984666667	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+3Na"	68.967654
"1662974"	363.074988	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Na+HCOOH"	68.994688
"164372"	665.07964	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+2K-H"	76.91904
"608303"	959.15994	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+2K-H"	76.91904
"1091719"	370.99934	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2K-H"	76.91904
"155109"	333.043458	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"2M+2K"	77.926316
"592478"	480.083608	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"3M+2K"	77.926316
"1082461"	186.003308	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2K"	77.926316
"1115436"	373.013892	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2K+H"	78.933592
"1349871"	373.101507	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+DMSO+H"	79.021207
"1019491"	377.140676	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2ACN+H"	83.060376
"1534333"	378.134308	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+IsoProp+Na+H"	84.054008
"1001875"	189.073976	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+2ACN+2H"	84.067652
"1599660"	379.048928	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+K+HCOOH"	84.968628
"1424226"	409.080438	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+H+CF3COOH"	115.000138
"1154513"	209.587251	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+3ACN+2H"	125.094202
"1708437"	426.106985	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+NH4+CF3COOH"	132.026685
"1639715"	431.06238	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+Na+CF3COOH"	136.98208
"1574272"	447.03632	"C18974"	"Cyanthoate"	"C10H19N2O4PS"	"294.0803"	"M+K+CF3COOH"	152.95602
"804637"	216.0044	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"M"	0
"981450"	196.98601	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"M-H2O-H"	-19.01839
"68598"	142.995657333333	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"2M-3H"	-3.021828
"503784"	214.997124	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"3M-3H"	-3.021828
"880728"	70.9941906666667	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"M-3H"	-3.021828
"1006"	214.997124	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"2M-2H"	-2.014552
"450660"	322.999324	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"3M-2H"	-2.014552
"825181"	106.994924	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"M-2H"	-2.014552
"84077"	431.001524	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"2M-H"	-1.007276
"528017"	647.005924	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"3M-H"	-1.007276
"902538"	214.997124	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"M-H"	-1.007276
"60077"	448.028071	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"2M-2H+NH4"	16.019271
"495382"	664.032471	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"3M-2H+NH4"	16.019271
"869903"	232.023671	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"M-2H+NH4"	16.019271
"34644"	452.983466	"C18975"	"Demephion-O"	"C5H13O3PS2"	"216.0044"	"2M-2H+Na"	20.974666
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"1377956"	180.991724	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H-2H2O"	-35.012676
"1397635"	199.0017	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H-H2O"	-17.0027
"295866"	433.016076	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+H"	1.007276
"687559"	649.020476	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+H"	1.007276
"1359533"	217.011676	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H"	1.007276
"138620"	217.011676	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+2H"	2.014552
"578542"	325.013876	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+2H"	2.014552
"1044061"	109.009476	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2H"	2.014552
"209776"	145.010209333333	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+3H"	3.021828
"652630"	217.011676	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+3H"	3.021828
"1174036"	73.0087426666667	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+3H"	3.021828
"436212"	450.042623	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+NH4"	18.033823
"799402"	666.047023	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+NH4"	18.033823
"1694641"	234.038223	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+NH4"	18.033823
"340731"	225.5249495	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+H+NH4"	19.041099
"733154"	333.5271495	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+H+NH4"	19.041099
"1483692"	117.5227495	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H+NH4"	19.041099
"399091"	454.998018	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+Na"	22.989218
"760085"	671.002418	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+Na"	22.989218
"1609275"	238.993618	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+Na"	22.989218
"326970"	228.002647	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+H+Na"	23.996494
"718296"	336.004847	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+H+Na"	23.996494
"1471020"	120.000447	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H+Na"	23.996494
"1060982"	80.3360566666667	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2H+Na"	25.00377
"1264849"	249.037886	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+CH3OH+H"	33.033486
"379290"	470.971958	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+K"	38.963158
"739679"	686.976358	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+K"	38.963158
"1544649"	254.967558	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+K"	38.963158
"312036"	235.989617	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+H+K"	39.970434
"705919"	343.991817	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+H+K"	39.970434
"1460833"	127.987417	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H+K"	39.970434
"245063"	474.042626	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+ACN+H"	42.033826
"1221052"	258.038226	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+ACN+H"	42.033826
"1204935"	129.522751	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+ACN+2H"	43.041102
"199990"	476.97996	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+2Na-H"	44.97116
"635184"	692.98436	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+2Na-H"	44.97116
"1141970"	260.97556	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2Na-H"	44.97116
"174687"	238.993618	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+2Na"	45.978436
"625553"	346.995818	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+2Na"	45.978436
"1127237"	130.991418	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2Na"	45.978436
"1411852"	87.6633706666667	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H+2Na"	46.985712
"1442150"	263.017146	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H+HCOOH"	47.012746
"234032"	244.02664	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+3H2O+2H"	56.04448
"1522824"	277.06919	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+IsoProp+H"	61.06479
"417040"	246.980588	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+Na+K"	61.952376
"781320"	354.982788	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+Na+K"	61.952376
"1676556"	138.978388	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+Na+K"	61.952376
"263073"	496.024568	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+ACN+Na"	64.015768
"1237967"	280.020168	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+ACN+Na"	64.015768
"1725758"	280.043693	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+NH4+HCOOH"	64.039293
"1191476"	94.9906846666667	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+3Na"	68.967654
"1662101"	284.999088	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+Na+HCOOH"	68.994688
"170055"	508.92784	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+2K-H"	76.91904
"610709"	724.93224	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+2K-H"	76.91904
"1089752"	292.92344	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2K-H"	76.91904
"156060"	254.967558	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"2M+2K"	77.926316
"594885"	362.969758	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"3M+2K"	77.926316
"1082929"	146.965358	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2K"	77.926316
"1114194"	294.937992	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2K+H"	78.933592
"1347905"	295.025607	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+DMSO+H"	79.021207
"1019470"	299.064776	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2ACN+H"	83.060376
"1533460"	300.058408	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+IsoProp+Na+H"	84.054008
"1004283"	150.036026	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+2ACN+2H"	84.067652
"1601463"	300.973028	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+K+HCOOH"	84.968628
"1429308"	331.004538	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+H+CF3COOH"	115.000138
"1160200"	170.549301	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+3ACN+2H"	125.094202
"1708657"	348.031085	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+NH4+CF3COOH"	132.026685
"1643215"	352.98648	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+Na+CF3COOH"	136.98208
"1574492"	368.96042	"C18976"	"Demephion-S"	"C5H13O3PS2"	"216.0044"	"M+K+CF3COOH"	152.95602
"804857"	258.0513	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M"	0
"981670"	239.03291	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-H2O-H"	-19.01839
"65538"	171.026924	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M-3H"	-3.021828
"505097"	257.044024	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M-3H"	-3.021828
"886179"	85.009824	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-3H"	-3.021828
"379"	257.044024	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M-2H"	-2.014552
"448694"	386.069674	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M-2H"	-2.014552
"825400"	128.018374	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-2H"	-2.014552
"85392"	515.095324	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M-H"	-1.007276
"523862"	773.146624	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M-H"	-1.007276
"906040"	257.044024	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-H"	-1.007276
"57135"	532.121871	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M-2H+NH4"	16.019271
"500947"	790.173171	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M-2H+NH4"	16.019271
"873404"	274.070571	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-2H+NH4"	16.019271
"42399"	537.077266	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M-2H+Na"	20.974666
"478679"	795.128566	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M-2H+Na"	20.974666
"856481"	279.025966	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-2H+Na"	20.974666
"1630390"	279.025966	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Na-2H"	20.974666
"102546"	275.032363	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M-H+Cl"	33.962126
"537731"	404.058013	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M-H+Cl"	33.962126
"934526"	146.006713	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-H+Cl"	33.962126
"271989"	551.072002	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+Cl"	34.969402
"669876"	809.123302	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+Cl"	34.969402
"1282279"	293.020702	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Cl"	34.969402
"17184"	553.051206	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M-2H+K"	36.948606
"462215"	811.102506	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M-2H+K"	36.948606
"837836"	294.999906	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-2H+K"	36.948606
"1562416"	294.999906	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+K-2H"	36.948606
"949205"	303.049494	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-H+HCOOH"	44.998194
"368516"	561.100801	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+HCOOH-H"	44.998201
"354591"	575.116451	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+Hac-H"	59.013851
"1505616"	317.065151	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Hac-H"	59.013851
"967689"	325.031451	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-H+NaCOOH"	66.980151
"125391"	293.020702	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+2Cl"	69.938804
"561624"	422.046352	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+2Cl"	69.938804
"1032608"	163.995052	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2Cl"	69.938804
"1255473"	336.970185	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Br"	78.918885
"1317917"	339.026172	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Cl+HCOOH"	80.974872
"1329947"	361.008129	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Cl+NaCOOH"	102.956829
"918817"	371.036886	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M-H+CF3COOH"	112.985586
"1298808"	407.013564	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Cl+CF3COOH"	148.962264
"1377702"	223.038624	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H-2H2O"	-35.012676
"1397017"	241.0486	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H-H2O"	-17.0027
"293057"	517.109876	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+H"	1.007276
"683291"	775.161176	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+H"	1.007276
"1359640"	259.058576	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H"	1.007276
"131430"	259.058576	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+2H"	2.014552
"572090"	388.084226	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+2H"	2.014552
"1041255"	130.032926	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2H"	2.014552
"207699"	173.041476	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+3H"	3.021828
"654561"	259.058576	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+3H"	3.021828
"1171959"	87.024376	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+3H"	3.021828
"433043"	534.136423	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+NH4"	18.033823
"798418"	792.187723	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+NH4"	18.033823
"1695845"	276.085123	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+NH4"	18.033823
"343027"	267.5718495	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+H+NH4"	19.041099
"736179"	396.5974995	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+H+NH4"	19.041099
"1482709"	138.5461995	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H+NH4"	19.041099
"397016"	539.091818	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+Na"	22.989218
"760195"	797.143118	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+Na"	22.989218
"1612666"	281.040518	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Na"	22.989218
"325987"	270.049547	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+H+Na"	23.996494
"720593"	399.075197	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+H+Na"	23.996494
"1473318"	141.023897	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H+Na"	23.996494
"1060001"	94.35169	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2H+Na"	25.00377
"1262773"	291.084786	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+CH3OH+H"	33.033486
"381345"	555.065758	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+K"	38.963158
"742341"	813.117058	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+K"	38.963158
"1544395"	297.014458	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+K"	38.963158
"312146"	278.036517	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+H+K"	39.970434
"705665"	407.062167	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+H+K"	39.970434
"1458393"	149.010867	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H+K"	39.970434
"244079"	558.136426	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+ACN+H"	42.033826
"1220068"	300.085126	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+ACN+H"	42.033826
"1202858"	150.546201	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+ACN+2H"	43.041102
"196821"	561.07376	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+2Na-H"	44.97116
"631645"	819.12506	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+2Na-H"	44.97116
"1135151"	303.02246	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2Na-H"	44.97116
"175527"	281.040518	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+2Na"	45.978436
"623841"	410.066168	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+2Na"	45.978436
"1127347"	152.014868	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2Na"	45.978436
"1408682"	101.679004	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H+2Na"	46.985712
"1441894"	305.064046	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H+HCOOH"	47.012746
"230495"	286.07354	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+3H2O+2H"	56.04448
"1519652"	319.11609	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+IsoProp+H"	61.06479
"417150"	289.027488	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+Na+K"	61.952376
"783616"	418.053138	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+Na+K"	61.952376
"1678488"	160.001838	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Na+K"	61.952376
"259903"	580.118368	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+ACN+Na"	64.015768
"1234796"	322.067068	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+ACN+Na"	64.015768
"1724775"	322.090593	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+NH4+HCOOH"	64.039293
"1189034"	109.006318	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+3Na"	68.967654
"1660023"	327.045988	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Na+HCOOH"	68.994688
"167978"	593.02164	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+2K-H"	76.91904
"608632"	851.07294	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+2K-H"	76.91904
"1089862"	334.97034	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2K-H"	76.91904
"156657"	297.014458	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"2M+2K"	77.926316
"593902"	426.040108	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"3M+2K"	77.926316
"1084160"	167.988808	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2K"	77.926316
"1115198"	336.984892	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2K+H"	78.933592
"1348866"	337.072507	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+DMSO+H"	79.021207
"1019819"	341.111676	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2ACN+H"	83.060376
"1533570"	342.105308	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+IsoProp+Na+H"	84.054008
"1001111"	171.059476	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+2ACN+2H"	84.067652
"1602301"	343.019928	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+K+HCOOH"	84.968628
"1428930"	373.051438	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+H+CF3COOH"	115.000138
"1159217"	191.572751	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+3ACN+2H"	125.094202
"1707673"	390.077985	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+NH4+CF3COOH"	132.026685
"1646605"	395.03338	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+Na+CF3COOH"	136.98208
"1574602"	411.00732	"C18977"	"Demeton-O"	"C8H19O3PS2"	"258.0513"	"M+K+CF3COOH"	152.95602
"813715"	258.0513	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M"	0
"981780"	239.03291	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-H2O-H"	-19.01839
"66012"	171.026924	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M-3H"	-3.021828
"506299"	257.044024	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M-3H"	-3.021828
"885196"	85.009824	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-3H"	-3.021828
"405"	257.044024	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M-2H"	-2.014552
"449897"	386.069674	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M-2H"	-2.014552
"825510"	128.018374	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-2H"	-2.014552
"85502"	515.095324	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M-H"	-1.007276
"523972"	773.146624	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M-H"	-1.007276
"902870"	257.044024	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-H"	-1.007276
"57243"	532.121871	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M-2H+NH4"	16.019271
"495710"	790.173171	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M-2H+NH4"	16.019271
"874606"	274.070571	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-2H+NH4"	16.019271
"45306"	537.077266	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M-2H+Na"	20.974666
"478789"	795.128566	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M-2H+Na"	20.974666
"859873"	279.025966	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-2H+Na"	20.974666
"1628315"	279.025966	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Na-2H"	20.974666
"102657"	275.032363	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M-H+Cl"	33.962126
"541122"	404.058013	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M-H+Cl"	33.962126
"934638"	146.006713	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-H+Cl"	33.962126
"271005"	551.072002	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+Cl"	34.969402
"669986"	809.123302	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+Cl"	34.969402
"1282389"	293.020702	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Cl"	34.969402
"18382"	553.051206	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M-2H+K"	36.948606
"457222"	811.102506	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M-2H+K"	36.948606
"840133"	294.999906	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-2H+K"	36.948606
"1561433"	294.999906	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+K-2H"	36.948606
"946035"	303.049494	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-H+HCOOH"	44.998194
"367533"	561.100801	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+HCOOH-H"	44.998201
"357980"	575.116451	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+Hac-H"	59.013851
"1506820"	317.065151	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Hac-H"	59.013851
"971079"	325.031451	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-H+NaCOOH"	66.980151
"123269"	293.020702	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+2Cl"	69.938804
"560641"	422.046352	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+2Cl"	69.938804
"1033811"	163.995052	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2Cl"	69.938804
"1253391"	336.970185	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Br"	78.918885
"1318027"	339.026172	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Cl+HCOOH"	80.974872
"1331151"	361.008129	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Cl+NaCOOH"	102.956829
"918927"	371.036886	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M-H+CF3COOH"	112.985586
"1299647"	407.013564	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Cl+CF3COOH"	148.962264
"1376719"	223.038624	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H-2H2O"	-35.012676
"1396398"	241.0486	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H-H2O"	-17.0027
"293167"	517.109876	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+H"	1.007276
"683401"	775.161176	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+H"	1.007276
"1359750"	259.058576	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H"	1.007276
"126074"	259.058576	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+2H"	2.014552
"573293"	388.084226	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+2H"	2.014552
"1041001"	130.032926	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2H"	2.014552
"208173"	173.041476	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+3H"	3.021828
"655029"	259.058576	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+3H"	3.021828
"1173524"	87.024376	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+3H"	3.021828
"432059"	534.136423	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+NH4"	18.033823
"798893"	792.187723	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+NH4"	18.033823
"1693768"	276.085123	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+NH4"	18.033823
"342773"	267.5718495	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+H+NH4"	19.041099
"734467"	396.5974995	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+H+NH4"	19.041099
"1483912"	138.5461995	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H+NH4"	19.041099
"399313"	539.091818	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+Na"	22.989218
"760305"	797.143118	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+Na"	22.989218
"1612778"	281.040518	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Na"	22.989218
"327190"	270.049547	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+H+Na"	23.996494
"721919"	399.075197	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+H+Na"	23.996494
"1471241"	141.023897	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H+Na"	23.996494
"1060110"	94.35169	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2H+Na"	25.00377
"1263976"	291.084786	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+CH3OH+H"	33.033486
"379268"	555.065758	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+K"	38.963158
"742451"	813.117058	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+K"	38.963158
"1544505"	297.014458	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+K"	38.963158
"312256"	278.036517	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+H+K"	39.970434
"704317"	407.062167	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+H+K"	39.970434
"1458139"	149.010867	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H+K"	39.970434
"243095"	558.136426	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+ACN+H"	42.033826
"1221272"	300.085126	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+ACN+H"	42.033826
"1201875"	150.546201	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+ACN+2H"	43.041102
"198023"	561.07376	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+2Na-H"	44.97116
"632120"	819.12506	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+2Na-H"	44.97116
"1133802"	303.02246	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2Na-H"	44.97116
"175636"	281.040518	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+2Na"	45.978436
"623587"	410.066168	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+2Na"	45.978436
"1125269"	152.014868	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2Na"	45.978436
"1401136"	101.679004	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H+2Na"	46.985712
"1438723"	305.064046	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H+HCOOH"	47.012746
"229511"	286.07354	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+3H2O+2H"	56.04448
"1516479"	319.11609	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+IsoProp+H"	61.06479
"412885"	289.027488	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+Na+K"	61.952376
"782630"	418.053138	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+Na+K"	61.952376
"1675680"	160.001838	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Na+K"	61.952376
"260013"	580.118368	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+ACN+Na"	64.015768
"1234542"	322.067068	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+ACN+Na"	64.015768
"1721604"	322.090593	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+NH4+HCOOH"	64.039293
"1188780"	109.006318	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+3Na"	68.967654
"1660133"	327.045988	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Na+HCOOH"	68.994688
"166995"	593.02164	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+2K-H"	76.91904
"608742"	851.07294	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+2K-H"	76.91904
"1089972"	334.97034	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2K-H"	76.91904
"154450"	297.014458	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"2M+2K"	77.926316
"594012"	426.040108	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"3M+2K"	77.926316
"1084041"	167.988808	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2K"	77.926316
"1112834"	336.984892	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2K+H"	78.933592
"1350069"	337.072507	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+DMSO+H"	79.021207
"1018836"	341.111676	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2ACN+H"	83.060376
"1534773"	342.105308	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+IsoProp+Na+H"	84.054008
"1001221"	171.059476	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+2ACN+2H"	84.067652
"1602533"	343.019928	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+K+HCOOH"	84.968628
"1429040"	373.051438	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+H+CF3COOH"	115.000138
"1160420"	191.572751	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+3ACN+2H"	125.094202
"1705595"	390.077985	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+NH4+CF3COOH"	132.026685
"1646716"	395.03338	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+Na+CF3COOH"	136.98208
"1574712"	411.00732	"C18978"	"Demeton-S"	"C8H19O3PS2"	"258.0513"	"M+K+CF3COOH"	152.95602
"805077"	262.0099	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M"	0
"981890"	242.99151	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-H2O-H"	-19.01839
"65028"	173.665990666667	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M-3H"	-3.021828
"503979"	261.002624	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M-3H"	-3.021828
"884213"	86.3293573333333	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-3H"	-3.021828
"637"	261.002624	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M-2H"	-2.014552
"450007"	392.007574	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M-2H"	-2.014552
"825620"	129.997674	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-2H"	-2.014552
"85612"	523.012524	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M-H"	-1.007276
"522988"	785.022424	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M-H"	-1.007276
"902979"	261.002624	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-H"	-1.007276
"55166"	540.039071	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M-2H+NH4"	16.019271
"495820"	802.048971	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M-2H+NH4"	16.019271
"876902"	278.029171	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-2H+NH4"	16.019271
"44445"	544.994466	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M-2H+Na"	20.974666
"481086"	807.004366	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M-2H+Na"	20.974666
"859983"	282.984566	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-2H+Na"	20.974666
"1629519"	282.984566	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Na-2H"	20.974666
"102767"	278.990963	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M-H+Cl"	33.962126
"541232"	409.995913	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M-H+Cl"	33.962126
"934748"	147.986013	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-H+Cl"	33.962126
"275489"	558.989202	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+Cl"	34.969402
"671190"	820.999102	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+Cl"	34.969402
"1280312"	296.979302	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Cl"	34.969402
"18127"	560.968406	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M-2H+K"	36.948606
"459155"	822.978306	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M-2H+K"	36.948606
"843523"	298.958506	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-2H+K"	36.948606
"1563730"	298.958506	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+K-2H"	36.948606
"948333"	307.008094	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-H+HCOOH"	44.998194
"367643"	569.018001	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+HCOOH-H"	44.998201
"355907"	583.033651	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+Hac-H"	59.013851
"1505837"	321.023751	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Hac-H"	59.013851
"970096"	328.990051	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-H+NaCOOH"	66.980151
"124472"	296.979302	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+2Cl"	69.938804
"562940"	427.984252	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+2Cl"	69.938804
"1033923"	165.974352	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2Cl"	69.938804
"1254596"	340.928785	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Br"	78.918885
"1315950"	342.984772	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Cl+HCOOH"	80.974872
"1330165"	364.966729	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Cl+NaCOOH"	102.956829
"915757"	374.995486	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M-H+CF3COOH"	112.985586
"1295385"	410.972164	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Cl+CF3COOH"	148.962264
"1375005"	226.997224	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H-2H2O"	-35.012676
"1391407"	245.0072	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H-H2O"	-17.0027
"293277"	525.027076	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+H"	1.007276
"683511"	787.036976	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+H"	1.007276
"1351959"	263.017176	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H"	1.007276
"127274"	263.017176	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+2H"	2.014552
"567935"	394.022126	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+2H"	2.014552
"1041475"	132.012226	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2H"	2.014552
"208285"	175.680542666667	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+3H"	3.021828
"654046"	263.017176	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+3H"	3.021828
"1173269"	88.3439093333333	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+3H"	3.021828
"434355"	542.053623	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+NH4"	18.033823
"800340"	804.063523	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+NH4"	18.033823
"1694971"	280.043723	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+NH4"	18.033823
"343612"	271.5304495	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+H+NH4"	19.041099
"735670"	402.5353995	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+H+NH4"	19.041099
"1486209"	140.5254995	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H+NH4"	19.041099
"403795"	547.009018	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+Na"	22.989218
"763697"	809.018918	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+Na"	22.989218
"1613981"	284.999118	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Na"	22.989218
"327909"	274.008147	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+H+Na"	23.996494
"720812"	405.013097	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+H+Na"	23.996494
"1475484"	143.003197	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H+Na"	23.996494
"1061315"	95.6712233333333	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2H+Na"	25.00377
"1266274"	295.043386	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+CH3OH+H"	33.033486
"381565"	562.982958	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+K"	38.963158
"746935"	824.992858	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+K"	38.963158
"1548989"	300.973058	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+K"	38.963158
"311637"	281.995117	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+H+K"	39.970434
"704793"	413.000067	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+H+K"	39.970434
"1458612"	150.990167	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H+K"	39.970434
"241019"	566.053626	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+ACN+H"	42.033826
"1218102"	304.043726	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+ACN+H"	42.033826
"1205995"	152.525501	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+ACN+2H"	43.041102
"197040"	568.99096	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+2Na-H"	44.97116
"631500"	831.00086	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+2Na-H"	44.97116
"1134277"	306.98106	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2Na-H"	44.97116
"179026"	284.999118	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+2Na"	45.978436
"617499"	416.004068	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+2Na"	45.978436
"1125379"	153.994168	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2Na"	45.978436
"1401246"	102.998537333333	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H+2Na"	46.985712
"1438833"	309.022646	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H+HCOOH"	47.012746
"228528"	290.03214	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+3H2O+2H"	56.04448
"1515496"	323.07469	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+IsoProp+H"	61.06479
"411901"	292.986088	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+Na+K"	61.952376
"779459"	423.991038	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+Na+K"	61.952376
"1675790"	161.981138	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Na+K"	61.952376
"260123"	588.035568	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+ACN+Na"	64.015768
"1233924"	326.025668	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+ACN+Na"	64.015768
"1722808"	326.049193	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+NH4+HCOOH"	64.039293
"1187069"	110.325851333333	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+3Na"	68.967654
"1659150"	331.004588	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Na+HCOOH"	68.994688
"167104"	600.93884	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+2K-H"	76.91904
"608852"	862.94874	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+2K-H"	76.91904
"1086802"	338.92894	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2K-H"	76.91904
"154439"	300.973058	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"2M+2K"	77.926316
"593025"	431.978008	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"3M+2K"	77.926316
"1081668"	169.968108	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2K"	77.926316
"1112823"	340.943492	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2K+H"	78.933592
"1351152"	341.031107	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+DMSO+H"	79.021207
"1018946"	345.070276	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2ACN+H"	83.060376
"1537070"	346.063908	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+IsoProp+Na+H"	84.054008
"1002424"	173.038776	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+2ACN+2H"	84.067652
"1602322"	346.978528	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+K+HCOOH"	84.968628
"1428056"	377.010038	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+H+CF3COOH"	115.000138
"1161259"	193.552051	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+3ACN+2H"	125.094202
"1705705"	394.036585	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+NH4+CF3COOH"	132.026685
"1649257"	398.99198	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+Na+CF3COOH"	136.98208
"1574822"	414.96592	"C18979"	"Demeton-S-methylsulphon"	"C6H15O5PS2"	"262.0099"	"M+K+CF3COOH"	152.95602
"805187"	154.0671	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M"	0
"982000"	135.04871	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-H2O-H"	-19.01839
"66229"	101.704124	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M-3H"	-3.021828
"506155"	153.059824	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M-3H"	-3.021828
"885416"	50.348424	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-3H"	-3.021828
"2897"	153.059824	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M-2H"	-2.014552
"451210"	230.093374	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M-2H"	-2.014552
"825730"	76.026274	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-2H"	-2.014552
"85722"	307.126924	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M-H"	-1.007276
"524191"	461.194024	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M-H"	-1.007276
"905275"	153.059824	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-H"	-1.007276
"56369"	324.153471	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M-2H+NH4"	16.019271
"495928"	478.220571	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M-2H+NH4"	16.019271
"873731"	170.086371	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-2H+NH4"	16.019271
"43822"	329.108866	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M-2H+Na"	20.974666
"480104"	483.175966	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M-2H+Na"	20.974666
"859000"	175.041766	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-2H+Na"	20.974666
"1630723"	175.041766	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Na-2H"	20.974666
"105064"	171.048163	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M-H+Cl"	33.962126
"541342"	248.081713	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M-H+Cl"	33.962126
"937045"	94.014613	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-H+Cl"	33.962126
"275599"	343.103602	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+Cl"	34.969402
"671300"	497.170702	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+Cl"	34.969402
"1283702"	189.036502	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Cl"	34.969402
"20062"	345.082806	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M-2H+K"	36.948606
"461452"	499.149906	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M-2H+K"	36.948606
"835973"	191.015706	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-2H+K"	36.948606
"1557272"	191.015706	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+K-2H"	36.948606
"946255"	199.065294	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-H+HCOOH"	44.998194
"367753"	353.132401	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+HCOOH-H"	44.998201
"359784"	367.148051	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+Hac-H"	59.013851
"1504854"	213.080951	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Hac-H"	59.013851
"972029"	221.047251	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-H+NaCOOH"	66.980151
"123126"	189.036502	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+2Cl"	69.938804
"563051"	266.070052	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+2Cl"	69.938804
"1032939"	112.002952	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2Cl"	69.938804
"1255799"	232.985985	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Br"	78.918885
"1314966"	235.041972	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Cl+HCOOH"	80.974872
"1328088"	257.023929	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Cl+NaCOOH"	102.956829
"915867"	267.052686	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M-H+CF3COOH"	112.985586
"1295859"	303.029364	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Cl+CF3COOH"	148.962264
"1376208"	119.054424	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H-2H2O"	-35.012676
"1392610"	137.0644	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H-H2O"	-17.0027
"294480"	309.141476	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+H"	1.007276
"684714"	463.208576	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+H"	1.007276
"1352799"	155.074376	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H"	1.007276
"127748"	155.074376	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+2H"	2.014552
"570230"	232.107926	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+2H"	2.014552
"1042674"	78.040826	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2H"	2.014552
"207665"	103.718676	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+3H"	3.021828
"650876"	155.074376	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+3H"	3.021828
"1175565"	52.362976	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+3H"	3.021828
"434465"	326.168023	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+NH4"	18.033823
"799841"	480.235123	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+NH4"	18.033823
"1696177"	172.100923	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+NH4"	18.033823
"343357"	163.5876495	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+H+NH4"	19.041099
"735780"	240.6211995	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+H+NH4"	19.041099
"1490695"	86.5540995	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H+NH4"	19.041099
"400626"	331.123418	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+Na"	22.989218
"760529"	485.190518	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+Na"	22.989218
"1614092"	177.056318	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Na"	22.989218
"326317"	166.065347	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+H+Na"	23.996494
"721531"	243.098897	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+H+Na"	23.996494
"1476365"	89.031797	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H+Na"	23.996494
"1061425"	59.69029	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2H+Na"	25.00377
"1265289"	187.100586	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+CH3OH+H"	33.033486
"383861"	347.097358	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+K"	38.963158
"745951"	501.164458	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+K"	38.963158
"1549098"	193.030258	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+K"	38.963158
"311384"	174.052317	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+H+K"	39.970434
"704172"	251.085867	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+H+K"	39.970434
"1459087"	97.018767	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H+K"	39.970434
"241130"	350.168026	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+ACN+H"	42.033826
"1219306"	196.100926	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+ACN+H"	42.033826
"1203189"	98.554101	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+ACN+2H"	43.041102
"197151"	353.10536	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+2Na-H"	44.97116
"631609"	507.17246	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+2Na-H"	44.97116
"1135114"	199.03826	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2Na-H"	44.97116
"176220"	177.056318	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+2Na"	45.978436
"619796"	254.089868	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+2Na"	45.978436
"1118928"	100.022768	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2Na"	45.978436
"1399046"	67.017604	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H+2Na"	46.985712
"1437850"	201.079846	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H+HCOOH"	47.012746
"228638"	182.08934	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+3H2O+2H"	56.04448
"1511231"	215.13189	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+IsoProp+H"	61.06479
"412736"	185.043288	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+Na+K"	61.952376
"774102"	262.076838	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+Na+K"	61.952376
"1675900"	108.009738	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Na+K"	61.952376
"258046"	372.149968	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+ACN+Na"	64.015768
"1233667"	218.082868	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+ACN+Na"	64.015768
"1720730"	218.106393	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+NH4+HCOOH"	64.039293
"1187178"	74.344918	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+3Na"	68.967654
"1658895"	223.061788	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Na+HCOOH"	68.994688
"165027"	385.05324	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+2K-H"	76.91904
"606774"	539.12034	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+2K-H"	76.91904
"1086912"	230.98614	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2K-H"	76.91904
"154549"	193.030258	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"2M+2K"	77.926316
"592042"	270.063808	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"3M+2K"	77.926316
"1079834"	115.996708	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2K"	77.926316
"1113420"	233.000692	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2K+H"	78.933592
"1350652"	233.088307	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+DMSO+H"	79.021207
"1017963"	237.127476	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2ACN+H"	83.060376
"1538642"	238.121108	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+IsoProp+Na+H"	84.054008
"1002534"	119.067376	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+2ACN+2H"	84.067652
"1602025"	239.035728	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+K+HCOOH"	84.968628
"1428166"	269.067238	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+H+CF3COOH"	115.000138
"1160640"	139.580651	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+3ACN+2H"	125.094202
"1706910"	286.093785	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+NH4+CF3COOH"	132.026685
"1649449"	291.04918	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+Na+CF3COOH"	136.98208
"1574932"	307.02312	"C18980"	"Dimefox"	"C4H12FN2OP"	"154.0671"	"M+K+CF3COOH"	152.95602
"805297"	216.001	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M"	0
"977735"	196.98261	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-H2O-H"	-19.01839
"63789"	142.993390666667	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M-3H"	-3.021828
"502914"	214.993724	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M-3H"	-3.021828
"884433"	70.9930573333333	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-3H"	-3.021828
"3007"	214.993724	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M-2H"	-2.014552
"449134"	322.994224	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M-2H"	-2.014552
"825840"	106.993224	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-2H"	-2.014552
"88019"	430.994724	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M-H"	-1.007276
"521386"	646.995724	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M-H"	-1.007276
"903199"	214.993724	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-H"	-1.007276
"56479"	448.021271	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M-2H+NH4"	16.019271
"493852"	664.022271	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M-2H+NH4"	16.019271
"873841"	232.020271	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-2H+NH4"	16.019271
"35546"	452.976666	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M-2H+Na"	20.974666
"481307"	668.977666	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M-2H+Na"	20.974666
"859839"	236.975666	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-2H+Na"	20.974666
"1628645"	236.975666	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Na-2H"	20.974666
"106267"	232.982063	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M-H+Cl"	33.962126
"540359"	340.982563	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M-H+Cl"	33.962126
"934968"	124.981563	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-H+Cl"	33.962126
"275709"	466.971402	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+Cl"	34.969402
"672139"	682.972402	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+Cl"	34.969402
"1284905"	250.970402	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Cl"	34.969402
"21995"	468.950606	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M-2H+K"	36.948606
"459375"	684.951606	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M-2H+K"	36.948606
"834259"	252.949606	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-2H+K"	36.948606
"1556408"	252.949606	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+K-2H"	36.948606
"943321"	260.999194	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-H+HCOOH"	44.998194
"365669"	477.000201	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+HCOOH-H"	44.998201
"360866"	491.015851	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+Hac-H"	59.013851
"1502778"	275.014851	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Hac-H"	59.013851
"971776"	282.981151	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-H+NaCOOH"	66.980151
"121050"	250.970402	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+2Cl"	69.938804
"562067"	358.970902	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+2Cl"	69.938804
"1033049"	142.969902	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2Cl"	69.938804
"1255182"	294.919885	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Br"	78.918885
"1316900"	296.975872	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Cl+HCOOH"	80.974872
"1332938"	318.957829	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Cl+NaCOOH"	102.956829
"921445"	328.986586	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M-H+CF3COOH"	112.985586
"1296700"	364.963264	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Cl+CF3COOH"	148.962264
"1377048"	180.988324	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H-2H2O"	-35.012676
"1393086"	198.9983	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H-H2O"	-17.0027
"292407"	433.009276	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+H"	1.007276
"683731"	649.010276	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+H"	1.007276
"1352788"	217.008276	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H"	1.007276
"128587"	217.008276	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+2H"	2.014552
"567789"	325.008776	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+2H"	2.014552
"1040596"	109.007776	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2H"	2.014552
"206317"	145.007942666667	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+3H"	3.021828
"654637"	217.008276	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+3H"	3.021828
"1173125"	73.0076093333333	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+3H"	3.021828
"433477"	450.035823	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+NH4"	18.033823
"801294"	666.036823	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+NH4"	18.033823
"1696742"	234.034823	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+NH4"	18.033823
"345290"	225.5215495	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+H+NH4"	19.041099
"738242"	333.5220495	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+H+NH4"	19.041099
"1492510"	117.5210495	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H+NH4"	19.041099
"404018"	454.991218	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+Na"	22.989218
"765012"	670.992218	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+Na"	22.989218
"1616027"	238.990218	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Na"	22.989218
"329107"	227.999247	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+H+Na"	23.996494
"722130"	335.999747	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+H+Na"	23.996494
"1473762"	119.998747	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H+Na"	23.996494
"1067976"	80.3349233333333	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2H+Na"	25.00377
"1270868"	249.034486	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+CH3OH+H"	33.033486
"383974"	470.965158	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+K"	38.963158
"744238"	686.966158	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+K"	38.963158
"1548115"	254.964158	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+K"	38.963158
"311494"	235.986217	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+H+K"	39.970434
"706636"	343.986717	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+H+K"	39.970434
"1459195"	127.985717	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H+K"	39.970434
"245615"	474.035826	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+ACN+H"	42.033826
"1222697"	258.034826	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+ACN+H"	42.033826
"1208403"	129.521051	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+ACN+2H"	43.041102
"201635"	476.97316	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+2Na-H"	44.97116
"635733"	692.97416	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+2Na-H"	44.97116
"1134863"	260.97216	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2Na-H"	44.97116
"177060"	238.990218	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+2Na"	45.978436
"622095"	346.990718	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+2Na"	45.978436
"1122318"	130.989718	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2Na"	45.978436
"1403654"	87.6622373333333	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H+2Na"	46.985712
"1439053"	263.013746	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H+HCOOH"	47.012746
"227655"	244.02324	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+3H2O+2H"	56.04448
"1514623"	277.06579	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+IsoProp+H"	61.06479
"411753"	246.977188	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+Na+K"	61.952376
"774210"	354.977688	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+Na+K"	61.952376
"1667258"	138.976688	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Na+K"	61.952376
"258154"	496.017768	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+ACN+Na"	64.015768
"1233048"	280.016768	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+ACN+Na"	64.015768
"1719747"	280.040293	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+NH4+HCOOH"	64.039293
"1184009"	94.9895513333333	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+3Na"	68.967654
"1656090"	284.995688	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Na+HCOOH"	68.994688
"165138"	508.92104	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+2K-H"	76.91904
"603605"	724.92204	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+2K-H"	76.91904
"1087022"	292.92004	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2K-H"	76.91904
"153687"	254.964158	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"2M+2K"	77.926316
"591059"	362.964658	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"3M+2K"	77.926316
"1077758"	146.963658	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2K"	77.926316
"1114871"	294.934592	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2K+H"	78.933592
"1350032"	295.022207	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+DMSO+H"	79.021207
"1015886"	299.061376	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2ACN+H"	83.060376
"1538385"	300.055008	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+IsoProp+Na+H"	84.054008
"1001551"	150.034326	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+2ACN+2H"	84.067652
"1601526"	300.969628	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+K+HCOOH"	84.968628
"1429006"	331.001138	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+H+CF3COOH"	115.000138
"1160750"	170.547601	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+3ACN+2H"	125.094202
"1708113"	348.027685	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+NH4+CF3COOH"	132.026685
"1648140"	352.98308	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+Na+CF3COOH"	136.98208
"1575042"	368.95702	"C18981"	"Salithion;Dioxabenzofos"	"C8H9O3PS"	"216.001"	"M+K+CF3COOH"	152.95602
"805407"	280.017	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M"	0
"977845"	260.99861	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-H2O-H"	-19.01839
"64263"	185.670724	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M-3H"	-3.021828
"503579"	279.009724	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M-3H"	-3.021828
"885636"	92.331724	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-3H"	-3.021828
"5303"	279.009724	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M-2H"	-2.014552
"448150"	419.018224	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M-2H"	-2.014552
"825950"	139.001224	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-2H"	-2.014552
"85942"	559.026724	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M-H"	-1.007276
"520885"	839.043724	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M-H"	-1.007276
"901121"	279.009724	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-H"	-1.007276
"53308"	576.053271	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M-2H+NH4"	16.019271
"491043"	856.070271	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M-2H+NH4"	16.019271
"866659"	296.036271	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-2H+NH4"	16.019271
"33830"	581.008666	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M-2H+Na"	20.974666
"479229"	861.025666	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M-2H+Na"	20.974666
"859218"	300.991666	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-2H+Na"	20.974666
"1622558"	300.991666	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Na-2H"	20.974666
"96535"	296.998063	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M-H+Cl"	33.962126
"537186"	437.006563	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M-H+Cl"	33.962126
"930701"	156.989563	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-H+Cl"	33.962126
"273629"	595.003402	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+Cl"	34.969402
"669331"	875.020402	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+Cl"	34.969402
"1275168"	314.986402	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Cl"	34.969402
"23199"	596.982606	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M-2H+K"	36.948606
"460579"	876.999606	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M-2H+K"	36.948606
"837286"	316.965606	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-2H+K"	36.948606
"1560772"	316.965606	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+K-2H"	36.948606
"944282"	325.015194	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-H+HCOOH"	44.998194
"363593"	605.032201	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+HCOOH-H"	44.998201
"360814"	619.047851	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+Hac-H"	59.013851
"1498505"	339.030851	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Hac-H"	59.013851
"973665"	346.997151	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-H+NaCOOH"	66.980151
"121889"	314.986402	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+2Cl"	69.938804
"562178"	454.994902	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+2Cl"	69.938804
"1033892"	174.977902	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2Cl"	69.938804
"1255292"	358.935885	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Br"	78.918885
"1316281"	360.991872	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Cl+HCOOH"	80.974872
"1330496"	382.973829	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Cl+NaCOOH"	102.956829
"916452"	393.002586	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M-H+CF3COOH"	112.985586
"1298996"	428.979264	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Cl+CF3COOH"	148.962264
"1377158"	245.004324	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H-2H2O"	-35.012676
"1389550"	263.0143	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H-H2O"	-17.0027
"292517"	561.041276	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+H"	1.007276
"683841"	841.058276	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+H"	1.007276
"1352169"	281.024276	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H"	1.007276
"127971"	281.024276	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+2H"	2.014552
"567535"	421.032776	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+2H"	2.014552
"1040344"	141.015776	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2H"	2.014552
"205456"	187.685276	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+3H"	3.021828
"656202"	281.024276	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+3H"	3.021828
"1167035"	94.346276	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+3H"	3.021828
"429213"	578.067823	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+NH4"	18.033823
"801037"	858.084823	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+NH4"	18.033823
"1696763"	298.050823	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+NH4"	18.033823
"344673"	289.5375495	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+H+NH4"	19.041099
"738064"	429.5460495	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+H+NH4"	19.041099
"1492011"	149.5290495	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H+NH4"	19.041099
"407772"	583.023218	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+Na"	22.989218
"769867"	863.040218	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+Na"	22.989218
"1618385"	303.006218	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Na"	22.989218
"329972"	292.015247	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+H+Na"	23.996494
"722579"	432.023747	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+H+Na"	23.996494
"1474966"	152.006747	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H+Na"	23.996494
"1068087"	101.67359	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2H+Na"	25.00377
"1269885"	313.050486	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+CH3OH+H"	33.033486
"384083"	598.997158	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+K"	38.963158
"742892"	879.014158	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+K"	38.963158
"1549319"	318.980158	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+K"	38.963158
"310511"	300.002217	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+H+K"	39.970434
"706786"	440.010717	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+H+K"	39.970434
"1458941"	159.993717	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H+K"	39.970434
"250587"	602.067826	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+ACN+H"	42.033826
"1222808"	322.050826	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+ACN+H"	42.033826
"1208149"	161.529051	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+ACN+2H"	43.041102
"201746"	605.00516	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+2Na-H"	44.97116
"642279"	885.02216	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+2Na-H"	44.97116
"1137160"	324.98816	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2Na-H"	44.97116
"177170"	303.006218	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+2Na"	45.978436
"623298"	443.014718	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+2Na"	45.978436
"1124615"	162.997718	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2Na"	45.978436
"1403763"	109.000904	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H+2Na"	46.985712
"1440984"	327.029746	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H+HCOOH"	47.012746
"228858"	308.03924	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+3H2O+2H"	56.04448
"1509384"	341.08179	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+IsoProp+H"	61.06479
"410770"	310.993188	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+Na+K"	61.952376
"774320"	451.001688	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+Na+K"	61.952376
"1667733"	170.984688	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Na+K"	61.952376
"257171"	624.049768	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+ACN+Na"	64.015768
"1232064"	344.032768	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+ACN+Na"	64.015768
"1718764"	344.056293	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+NH4+HCOOH"	64.039293
"1184119"	116.328218	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+3Na"	68.967654
"1655471"	349.011688	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Na+HCOOH"	68.994688
"163427"	636.95304	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+2K-H"	76.91904
"601528"	916.97004	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+2K-H"	76.91904
"1089320"	356.93604	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2K-H"	76.91904
"151611"	318.980158	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"2M+2K"	77.926316
"594330"	458.988658	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"3M+2K"	77.926316
"1083868"	178.971658	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2K"	77.926316
"1114731"	358.950592	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2K+H"	78.933592
"1350879"	359.038207	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+DMSO+H"	79.021207
"1017089"	363.077376	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2ACN+H"	83.060376
"1534120"	364.071008	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+IsoProp+Na+H"	84.054008
"1005548"	182.042326	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+2ACN+2H"	84.067652
"1600542"	364.985628	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+K+HCOOH"	84.968628
"1429118"	395.017138	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+H+CF3COOH"	115.000138
"1160862"	202.555601	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+3ACN+2H"	125.094202
"1710410"	412.043685	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+NH4+CF3COOH"	132.026685
"1648251"	416.99908	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+Na+CF3COOH"	136.98208
"1578432"	432.97302	"C18982"	"Endothion"	"C9H13O6PS"	"280.017"	"M+K+CF3COOH"	152.95602
"808797"	243.0153	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M"	0
"980142"	223.99691	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-H2O-H"	-19.01839
"65467"	161.002924	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M-3H"	-3.021828
"504296"	242.008024	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M-3H"	-3.021828
"883559"	79.997824	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-3H"	-3.021828
"6507"	242.008024	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M-2H"	-2.014552
"442785"	363.515674	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M-2H"	-2.014552
"819498"	120.500374	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-2H"	-2.014552
"86052"	485.023324	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M-H"	-1.007276
"520510"	728.038624	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M-H"	-1.007276
"899042"	242.008024	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-H"	-1.007276
"51959"	502.049871	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M-2H+NH4"	16.019271
"490060"	745.065171	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M-2H+NH4"	16.019271
"866039"	259.034571	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-2H+NH4"	16.019271
"33940"	507.005266	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M-2H+Na"	20.974666
"479339"	750.020566	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M-2H+Na"	20.974666
"859328"	263.989966	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-2H+Na"	20.974666
"1624490"	263.989966	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Na-2H"	20.974666
"98832"	259.996363	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M-H+Cl"	33.962126
"536202"	381.504013	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M-H+Cl"	33.962126
"931905"	138.488713	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-H+Cl"	33.962126
"273739"	521.000002	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+Cl"	34.969402
"668348"	764.015302	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+Cl"	34.969402
"1275643"	277.984702	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Cl"	34.969402
"17844"	522.979206	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M-2H+K"	36.948606
"460689"	765.994506	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M-2H+K"	36.948606
"834115"	279.963906	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-2H+K"	36.948606
"1558696"	279.963906	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+K-2H"	36.948606
"943053"	288.013494	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-H+HCOOH"	44.998194
"363703"	531.028801	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+HCOOH-H"	44.998201
"353064"	545.044451	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+Hac-H"	59.013851
"1494602"	302.029151	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Hac-H"	59.013851
"961781"	309.995451	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-H+NaCOOH"	66.980151
"122727"	277.984702	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+2Cl"	69.938804
"563380"	399.492352	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+2Cl"	69.938804
"1036067"	156.477052	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2Cl"	69.938804
"1256494"	321.934185	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Br"	78.918885
"1316391"	323.990172	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Cl+HCOOH"	80.974872
"1330606"	345.972129	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Cl+NaCOOH"	102.956829
"919478"	356.000886	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M-H+CF3COOH"	112.985586
"1299470"	391.977564	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Cl+CF3COOH"	148.962264
"1375445"	208.002624	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H-2H2O"	-35.012676
"1390754"	226.0126	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H-H2O"	-17.0027
"291533"	487.037876	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+H"	1.007276
"683951"	730.053176	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+H"	1.007276
"1351915"	244.022576	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H"	1.007276
"128809"	244.022576	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+2H"	2.014552
"567645"	365.530226	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+2H"	2.014552
"1040454"	122.514926	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2H"	2.014552
"206533"	163.017476	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+3H"	3.021828
"652300"	244.022576	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+3H"	3.021828
"1168238"	82.012376	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+3H"	3.021828
"427135"	504.064423	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+NH4"	18.033823
"797982"	747.079723	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+NH4"	18.033823
"1694313"	261.049123	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+NH4"	18.033823
"343683"	252.5358495	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+H+NH4"	19.041099
"733917"	374.0434995	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+H+NH4"	19.041099
"1491879"	131.0281995	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H+NH4"	19.041099
"407154"	509.019818	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+Na"	22.989218
"769897"	752.035118	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+Na"	22.989218
"1618416"	266.004518	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Na"	22.989218
"329895"	255.013547	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+H+Na"	23.996494
"722798"	376.521197	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+H+Na"	23.996494
"1476820"	133.505897	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H+Na"	23.996494
"1067590"	89.33969	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2H+Na"	25.00377
"1269267"	276.048786	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+CH3OH+H"	33.033486
"382007"	524.993758	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+K"	38.963158
"746282"	768.009058	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+K"	38.963158
"1549429"	281.978458	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+K"	38.963158
"311714"	263.000517	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+H+K"	39.970434
"706330"	384.508167	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+H+K"	39.970434
"1460957"	141.492867	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H+K"	39.970434
"250453"	528.064426	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+ACN+H"	42.033826
"1224013"	285.049126	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+ACN+H"	42.033826
"1207166"	143.028201	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+ACN+2H"	43.041102
"202465"	531.00176	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+2Na-H"	44.97116
"642144"	774.01706	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+2Na-H"	44.97116
"1138356"	287.98646	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2Na-H"	44.97116
"181653"	266.004518	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+2Na"	45.978436
"621947"	387.512168	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+2Na"	45.978436
"1123632"	144.496868	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2Na"	45.978436
"1403873"	96.667004	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H+2Na"	46.985712
"1440365"	290.028046	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H+HCOOH"	47.012746
"228968"	271.03754	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+3H2O+2H"	56.04448
"1509858"	304.08009	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+IsoProp+H"	61.06479
"411608"	273.991488	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+Na+K"	61.952376
"773337"	395.499138	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+Na+K"	61.952376
"1668572"	152.483838	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Na+K"	61.952376
"258371"	550.046368	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+ACN+Na"	64.015768
"1229258"	307.031068	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+ACN+Na"	64.015768
"1714497"	307.054593	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+NH4+HCOOH"	64.039293
"1180944"	103.994318	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+3Na"	68.967654
"1655217"	312.009988	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Na+HCOOH"	68.994688
"163537"	562.94964	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+2K-H"	76.91904
"601638"	805.96494	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+2K-H"	76.91904
"1089430"	319.93434	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2K-H"	76.91904
"153907"	281.978458	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"2M+2K"	77.926316
"595533"	403.486108	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"3M+2K"	77.926316
"1083207"	160.470808	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2K"	77.926316
"1114230"	321.948892	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2K+H"	78.933592
"1350987"	322.036507	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+DMSO+H"	79.021207
"1016106"	326.075676	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2ACN+H"	83.060376
"1535323"	327.069308	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+IsoProp+Na+H"	84.054008
"1005506"	163.541476	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+2ACN+2H"	84.067652
"1601745"	327.983928	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+K+HCOOH"	84.968628
"1429227"	358.015438	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+H+CF3COOH"	115.000138
"1162065"	184.054751	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+3ACN+2H"	125.094202
"1711613"	375.041985	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+NH4+CF3COOH"	132.026685
"1648361"	379.99738	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+Na+CF3COOH"	136.98208
"1578542"	395.97132	"C18983"	"Ethoate-methyl"	"C6H14NO3PS2"	"243.0153"	"M+K+CF3COOH"	152.95602
"805627"	260.0306	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M"	0
"979159"	241.01221	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-H2O-H"	-19.01839
"65577"	172.346457333333	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M-3H"	-3.021828
"504041"	259.023324	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M-3H"	-3.021828
"883669"	85.6695906666667	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-3H"	-3.021828
"6617"	259.023324	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M-2H"	-2.014552
"443988"	389.038624	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M-2H"	-2.014552
"819971"	129.008024	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-2H"	-2.014552
"80330"	519.053924	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M-H"	-1.007276
"520251"	779.084524	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M-H"	-1.007276
"899152"	259.023324	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-H"	-1.007276
"52069"	536.080471	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M-2H+NH4"	16.019271
"488830"	796.111071	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M-2H+NH4"	16.019271
"865418"	276.049871	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-2H+NH4"	16.019271
"35872"	541.035866	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M-2H+Na"	20.974666
"479449"	801.066466	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M-2H+Na"	20.974666
"859438"	281.005266	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-2H+Na"	20.974666
"1624600"	281.005266	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Na-2H"	20.974666
"98942"	277.011663	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M-H+Cl"	33.962126
"538499"	407.026963	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M-H+Cl"	33.962126
"934201"	146.996363	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-H+Cl"	33.962126
"273849"	555.030602	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+Cl"	34.969402
"667364"	815.061202	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+Cl"	34.969402
"1274175"	295.000002	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Cl"	34.969402
"20138"	557.009806	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M-2H+K"	36.948606
"461891"	817.040406	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M-2H+K"	36.948606
"835318"	296.979206	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-2H+K"	36.948606
"1557711"	296.979206	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+K-2H"	36.948606
"945594"	305.028794	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-H+HCOOH"	44.998194
"361987"	565.059401	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+HCOOH-H"	44.998201
"354267"	579.075051	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+Hac-H"	59.013851
"1493984"	319.044451	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Hac-H"	59.013851
"962619"	327.010751	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-H+NaCOOH"	66.980151
"121737"	295.000002	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+2Cl"	69.938804
"562390"	425.015302	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+2Cl"	69.938804
"1029000"	164.984702	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2Cl"	69.938804
"1254781"	338.949485	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Br"	78.918885
"1313218"	341.005472	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Cl+HCOOH"	80.974872
"1328526"	362.987429	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Cl+NaCOOH"	102.956829
"921775"	373.016186	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M-H+CF3COOH"	112.985586
"1299580"	408.992864	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Cl+CF3COOH"	148.962264
"1376649"	225.017924	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H-2H2O"	-35.012676
"1389770"	243.0279	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H-H2O"	-17.0027
"293828"	521.068476	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+H"	1.007276
"680781"	781.099076	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+H"	1.007276
"1352146"	261.037876	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H"	1.007276
"127462"	261.037876	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+2H"	2.014552
"567027"	391.053176	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+2H"	2.014552
"1039836"	131.022576	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2H"	2.014552
"206036"	174.361009333333	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+3H"	3.021828
"652410"	261.037876	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+3H"	3.021828
"1169440"	87.6841426666667	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+3H"	3.021828
"428338"	538.095023	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+NH4"	18.033823
"795905"	798.125623	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+NH4"	18.033823
"1688953"	278.064423	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+NH4"	18.033823
"337231"	269.5511495	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+H+NH4"	19.041099
"729653"	399.5664495	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+H+NH4"	19.041099
"1491012"	139.5358495	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H+NH4"	19.041099
"406408"	543.050418	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+Na"	22.989218
"769765"	803.081018	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+Na"	22.989218
"1618229"	283.019818	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Na"	22.989218
"329194"	272.028847	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+H+Na"	23.996494
"722345"	402.044147	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+H+Na"	23.996494
"1475066"	142.013547	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H+Na"	23.996494
"1065876"	95.0114566666667	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2H+Na"	25.00377
"1269377"	293.064086	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+CH3OH+H"	33.033486
"382117"	559.024358	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+K"	38.963158
"742018"	819.054958	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+K"	38.963158
"1544072"	298.993758	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+K"	38.963158
"311824"	280.015817	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+H+K"	39.970434
"705713"	410.031117	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+H+K"	39.970434
"1460380"	150.000517	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H+K"	39.970434
"249837"	562.095026	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+ACN+H"	42.033826
"1224001"	302.064426	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+ACN+H"	42.033826
"1207278"	151.535851	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+ACN+2H"	43.041102
"201847"	565.03236	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+2Na-H"	44.97116
"642619"	825.06296	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+2Na-H"	44.97116
"1137374"	305.00176	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2Na-H"	44.97116
"183950"	283.019818	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+2Na"	45.978436
"616954"	413.035118	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+2Na"	45.978436
"1122647"	153.004518	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2Na"	45.978436
"1401796"	102.338770666667	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H+2Na"	46.985712
"1439382"	307.043346	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H+HCOOH"	47.012746
"229079"	288.05284	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+3H2O+2H"	56.04448
"1509238"	321.09539	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+IsoProp+H"	61.06479
"412448"	291.006788	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+Na+K"	61.952376
"773447"	421.022088	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+Na+K"	61.952376
"1670870"	160.991488	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Na+K"	61.952376
"256295"	584.076968	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+ACN+Na"	64.015768
"1227911"	324.046368	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+ACN+Na"	64.015768
"1713636"	324.069893	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+NH4+HCOOH"	64.039293
"1179962"	109.666084666667	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+3Na"	68.967654
"1654598"	329.025288	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Na+HCOOH"	68.994688
"163647"	596.98024	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+2K-H"	76.91904
"601748"	857.01084	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+2K-H"	76.91904
"1089540"	336.94964	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2K-H"	76.91904
"154017"	298.993758	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"2M+2K"	77.926316
"593575"	429.009058	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"3M+2K"	77.926316
"1078091"	168.978458	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2K"	77.926316
"1114948"	338.964192	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2K+H"	78.933592
"1351216"	339.051807	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+DMSO+H"	79.021207
"1018402"	343.090976	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2ACN+H"	83.060376
"1535433"	344.084608	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+IsoProp+Na+H"	84.054008
"1004557"	172.049126	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+2ACN+2H"	84.067652
"1602465"	344.999228	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+K+HCOOH"	84.968628
"1429701"	375.030738	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+H+CF3COOH"	115.000138
"1161082"	192.562401	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+3ACN+2H"	125.094202
"1710630"	392.057285	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+NH4+CF3COOH"	132.026685
"1648107"	397.01268	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+Na+CF3COOH"	136.98208
"1578652"	412.98662	"C18984"	"Oxydeprofos"	"C7H17O4PS2"	"260.0306"	"M+K+CF3COOH"	152.95602
"805737"	292.0647	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M"	0
"980362"	273.04631	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-H2O-H"	-19.01839
"68603"	193.702524	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M-3H"	-3.021828
"507069"	291.057424	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M-3H"	-3.021828
"885966"	96.347624	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-3H"	-3.021828
"8914"	291.057424	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M-2H"	-2.014552
"444099"	437.089774	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M-2H"	-2.014552
"818987"	145.025074	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-2H"	-2.014552
"81530"	583.122124	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M-H"	-1.007276
"520115"	875.186824	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M-H"	-1.007276
"898897"	291.057424	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-H"	-1.007276
"50356"	600.148671	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M-2H+NH4"	16.019271
"488332"	892.213371	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M-2H+NH4"	16.019271
"865282"	308.083971	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-2H+NH4"	16.019271
"34401"	605.104066	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M-2H+Na"	20.974666
"479559"	897.168766	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M-2H+Na"	20.974666
"859548"	313.039366	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-2H+Na"	20.974666
"1621430"	313.039366	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Na-2H"	20.974666
"97229"	309.045763	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M-H+Cl"	33.962126
"537516"	455.078113	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M-H+Cl"	33.962126
"934311"	163.013413	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-H+Cl"	33.962126
"273959"	619.098802	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+Cl"	34.969402
"667474"	911.163502	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+Cl"	34.969402
"1274528"	327.034102	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Cl"	34.969402
"19155"	621.078006	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M-2H+K"	36.948606
"460907"	913.142706	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M-2H+K"	36.948606
"834336"	329.013306	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-2H+K"	36.948606
"1558915"	329.013306	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+K-2H"	36.948606
"944611"	337.062894	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-H+HCOOH"	44.998194
"363921"	629.127601	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+HCOOH-H"	44.998201
"347810"	643.143251	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+Hac-H"	59.013851
"1495551"	351.078551	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Hac-H"	59.013851
"960537"	359.044851	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-H+NaCOOH"	66.980151
"111996"	327.034102	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+2Cl"	69.938804
"551917"	473.066452	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+2Cl"	69.938804
"1025091"	181.001752	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2Cl"	69.938804
"1247595"	370.983585	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Br"	78.918885
"1311505"	373.039572	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Cl+HCOOH"	80.974872
"1326448"	395.021529	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Cl+NaCOOH"	102.956829
"915321"	405.050286	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M-H+CF3COOH"	112.985586
"1296408"	441.026964	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Cl+CF3COOH"	148.962264
"1375665"	257.052024	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H-2H2O"	-35.012676
"1390973"	275.062	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H-H2O"	-17.0027
"287377"	585.136676	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+H"	1.007276
"678339"	877.201376	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+H"	1.007276
"1353228"	293.071976	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H"	1.007276
"126477"	293.071976	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+2H"	2.014552
"567133"	439.104326	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+2H"	2.014552
"1037873"	147.039626	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2H"	2.014552
"205414"	195.717076	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+3H"	3.021828
"650330"	293.071976	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+3H"	3.021828
"1164929"	98.362176	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+3H"	3.021828
"426261"	602.163223	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+NH4"	18.033823
"797108"	894.227923	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+NH4"	18.033823
"1689064"	310.098523	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+NH4"	18.033823
"338434"	301.5852495	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+H+NH4"	19.041099
"730856"	447.6175995	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+H+NH4"	19.041099
"1491970"	155.5528995	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H+NH4"	19.041099
"400077"	607.118618	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+Na"	22.989218
"768974"	899.183318	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+Na"	22.989218
"1617691"	315.053918	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Na"	22.989218
"329432"	304.062947	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+H+Na"	23.996494
"721973"	450.095297	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+H+Na"	23.996494
"1476513"	158.030597	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H+Na"	23.996494
"1067447"	105.68949	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2H+Na"	25.00377
"1269121"	325.098186	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+CH3OH+H"	33.033486
"382227"	623.092558	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+K"	38.963158
"741035"	915.157258	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+K"	38.963158
"1543089"	331.027858	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+K"	38.963158
"312663"	312.049917	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+H+K"	39.970434
"705699"	458.082267	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+H+K"	39.970434
"1460490"	166.017567	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H+K"	39.970434
"249706"	626.163226	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+ACN+H"	42.033826
"1223383"	334.098526	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+ACN+H"	42.033826
"1207388"	167.552901	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+ACN+2H"	43.041102
"202321"	629.10056	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+2Na-H"	44.97116
"641270"	921.16526	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+2Na-H"	44.97116
"1138577"	337.03586	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2Na-H"	44.97116
"178586"	315.053918	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+2Na"	45.978436
"620334"	461.086268	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+2Na"	45.978436
"1124943"	169.021568	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2Na"	45.978436
"1401906"	113.016804	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H+2Na"	46.985712
"1441678"	339.077446	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H+HCOOH"	47.012746
"230282"	320.08694	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+3H2O+2H"	56.04448
"1511780"	353.12949	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+IsoProp+H"	61.06479
"412558"	323.040888	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+Na+K"	61.952376
"777930"	469.073238	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+Na+K"	61.952376
"1672073"	177.008538	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Na+K"	61.952376
"258592"	648.145168	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+ACN+Na"	64.015768
"1231301"	356.080468	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+ACN+Na"	64.015768
"1715082"	356.103993	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+NH4+HCOOH"	64.039293
"1179343"	120.344118	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+3Na"	68.967654
"1656529"	361.059388	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Na+HCOOH"	68.994688
"162298"	661.04844	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+2K-H"	76.91904
"601858"	953.11314	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+2K-H"	76.91904
"1089650"	368.98374	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2K-H"	76.91904
"156558"	331.027858	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"2M+2K"	77.926316
"596483"	477.060208	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"3M+2K"	77.926316
"1083548"	184.995508	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2K"	77.926316
"1115180"	370.998292	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2K+H"	78.933592
"1350961"	371.085907	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+DMSO+H"	79.021207
"1018511"	375.125076	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2ACN+H"	83.060376
"1538095"	376.118708	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+IsoProp+Na+H"	84.054008
"1004666"	188.066176	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+2ACN+2H"	84.067652
"1601238"	377.033328	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+K+HCOOH"	84.968628
"1428720"	407.064838	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+H+CF3COOH"	115.000138
"1162639"	208.579451	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+3ACN+2H"	125.094202
"1710740"	424.091385	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+NH4+CF3COOH"	132.026685
"1649309"	429.04678	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+Na+CF3COOH"	136.98208
"1578762"	445.02072	"C18985"	"Etrimfos"	"C10H17N2O4PS"	"292.0647"	"M+K+CF3COOH"	152.95602
"805847"	319.8997	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M"	0
"982659"	300.88131	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-H2O-H"	-19.01839
"69806"	212.259190666667	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M-3H"	-3.021828
"507179"	318.892424	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M-3H"	-3.021828
"887169"	105.625957333333	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-3H"	-3.021828
"6837"	318.892424	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M-2H"	-2.014552
"446395"	478.842274	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M-2H"	-2.014552
"821284"	158.942574	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-2H"	-2.014552
"82734"	638.792124	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M-H"	-1.007276
"520958"	958.691824	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M-H"	-1.007276
"898278"	318.892424	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-H"	-1.007276
"52289"	655.818671	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M-2H+NH4"	16.019271
"489295"	975.718371	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M-2H+NH4"	16.019271
"867098"	335.918971	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-2H+NH4"	16.019271
"33419"	660.774066	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M-2H+Na"	20.974666
"472128"	980.673766	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M-2H+Na"	20.974666
"857471"	340.874366	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-2H+Na"	20.974666
"1629194"	340.874366	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Na-2H"	20.974666
"103536"	336.880763	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M-H+Cl"	33.962126
"539812"	496.830613	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M-H+Cl"	33.962126
"937701"	176.930913	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-H+Cl"	33.962126
"274069"	674.768802	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+Cl"	34.969402
"666491"	994.668502	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+Cl"	34.969402
"1274518"	354.869102	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Cl"	34.969402
"23640"	676.748006	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M-2H+K"	36.948606
"458831"	996.647706	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M-2H+K"	36.948606
"842099"	356.848306	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-2H+K"	36.948606
"1557081"	356.848306	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+K-2H"	36.948606
"944721"	364.897894	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-H+HCOOH"	44.998194
"364762"	684.797601	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+HCOOH-H"	44.998201
"349742"	698.813251	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+Hac-H"	59.013851
"1496390"	378.913551	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Hac-H"	59.013851
"960645"	386.879851	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-H+NaCOOH"	66.980151
"113565"	354.869102	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+2Cl"	69.938804
"552394"	514.818952	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+2Cl"	69.938804
"1025202"	194.919252	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2Cl"	69.938804
"1244421"	398.818585	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Br"	78.918885
"1306871"	400.874572	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Cl+HCOOH"	80.974872
"1328015"	422.856529	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Cl+NaCOOH"	102.956829
"914702"	432.885286	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M-H+CF3COOH"	112.985586
"1296518"	468.861964	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Cl+CF3COOH"	148.962264
"1375775"	284.887024	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H-2H2O"	-35.012676
"1389988"	302.897	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H-H2O"	-17.0027
"287487"	640.806676	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+H"	1.007276
"678814"	960.706376	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+H"	1.007276
"1353339"	320.906976	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H"	1.007276
"127317"	320.906976	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+2H"	2.014552
"569065"	480.856826	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+2H"	2.014552
"1039320"	160.957126	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2H"	2.014552
"205768"	214.273742666667	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+3H"	3.021828
"646794"	320.906976	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+3H"	3.021828
"1165282"	107.640509333333	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+3H"	3.021828
"430744"	657.833223	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+NH4"	18.033823
"798310"	977.732923	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+NH4"	18.033823
"1689174"	337.933523	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+NH4"	18.033823
"337450"	329.4202495	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+H+NH4"	19.041099
"729871"	489.3700995	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+H+NH4"	19.041099
"1488068"	169.4703995	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H+NH4"	19.041099
"398000"	662.788618	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+Na"	22.989218
"769920"	982.688318	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+Na"	22.989218
"1618041"	342.888918	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Na"	22.989218
"329409"	331.897947	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+H+Na"	23.996494
"722437"	491.847797	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+H+Na"	23.996494
"1476788"	171.948097	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H+Na"	23.996494
"1067190"	114.967823333333	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2H+Na"	25.00377
"1268138"	352.933186	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+CH3OH+H"	33.033486
"384524"	678.762558	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+K"	38.963158
"743696"	998.662258	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+K"	38.963158
"1543927"	358.862858	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+K"	38.963158
"311312"	339.884917	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+H+K"	39.970434
"706656"	499.834767	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+H+K"	39.970434
"1459746"	179.935067	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H+K"	39.970434
"248353"	681.833226	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+ACN+H"	42.033826
"1223246"	361.933526	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+ACN+H"	42.033826
"1208587"	181.470401	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+ACN+2H"	43.041102
"201093"	684.77056	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+2Na-H"	44.97116
"640650"	1004.67026	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+2Na-H"	44.97116
"1137594"	364.87086	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2Na-H"	44.97116
"180884"	342.888918	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+2Na"	45.978436
"618258"	502.838768	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+2Na"	45.978436
"1125053"	182.939068	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2Na"	45.978436
"1405296"	122.295137333333	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H+2Na"	46.985712
"1437415"	366.912446	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H+HCOOH"	47.012746
"230390"	347.92194	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+3H2O+2H"	56.04448
"1515171"	380.96449	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+IsoProp+H"	61.06479
"410116"	350.875888	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+Na+K"	61.952376
"776947"	510.825738	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+Na+K"	61.952376
"1671090"	190.926038	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Na+K"	61.952376
"256515"	703.815168	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+ACN+Na"	64.015768
"1228495"	383.915468	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+ACN+Na"	64.015768
"1717014"	383.938993	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+NH4+HCOOH"	64.039293
"1183463"	129.622451333333	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+3Na"	68.967654
"1656639"	388.894388	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Na+HCOOH"	68.994688
"160585"	716.71844	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+2K-H"	76.91904
"600875"	1036.61814	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+2K-H"	76.91904
"1089760"	396.81874	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2K-H"	76.91904
"153144"	358.862858	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"2M+2K"	77.926316
"594888"	518.812708	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"3M+2K"	77.926316
"1082440"	198.913008	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2K"	77.926316
"1111522"	398.833292	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2K+H"	78.933592
"1350583"	398.920907	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+DMSO+H"	79.021207
"1017529"	402.960076	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2ACN+H"	83.060376
"1533467"	403.953708	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+IsoProp+Na+H"	84.054008
"1004169"	201.983676	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+2ACN+2H"	84.067652
"1599892"	404.868328	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+K+HCOOH"	84.968628
"1428830"	434.899838	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+H+CF3COOH"	115.000138
"1160208"	222.496951	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+3ACN+2H"	125.094202
"1710850"	451.926385	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+NH4+CF3COOH"	132.026685
"1649419"	456.88178	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+Na+CF3COOH"	136.98208
"1578872"	472.85572	"C18986"	"Fenchlorphos;Fenclofos;Ronnel"	"C8H8Cl3O3PS"	"319.8997"	"M+K+CF3COOH"	152.95602
"805957"	246.0302	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M"	0
"978395"	227.01181	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-H2O-H"	-19.01839
"63597"	163.012857333333	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M-3H"	-3.021828
"502830"	245.022924	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M-3H"	-3.021828
"880718"	81.0027906666667	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-3H"	-3.021828
"1719"	245.022924	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M-2H"	-2.014552
"441768"	368.038024	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M-2H"	-2.014552
"821031"	122.007824	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-2H"	-2.014552
"83211"	491.053124	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M-H"	-1.007276
"520947"	737.083324	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M-H"	-1.007276
"896687"	245.022924	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-H"	-1.007276
"47535"	508.079671	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M-2H+NH4"	16.019271
"488066"	754.109871	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M-2H+NH4"	16.019271
"866843"	262.049471	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-2H+NH4"	16.019271
"32556"	513.035066	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M-2H+Na"	20.974666
"471748"	759.065266	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M-2H+Na"	20.974666
"857581"	267.004866	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-2H+Na"	20.974666
"1627117"	267.004866	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Na-2H"	20.974666
"102552"	263.011263	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M-H+Cl"	33.962126
"538829"	386.026363	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M-H+Cl"	33.962126
"937811"	139.996163	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-H+Cl"	33.962126
"274179"	527.029802	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+Cl"	34.969402
"666601"	773.060002	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+Cl"	34.969402
"1272798"	280.999602	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Cl"	34.969402
"20469"	529.009006	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M-2H+K"	36.948606
"461128"	775.039206	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M-2H+K"	36.948606
"842209"	282.978806	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-2H+K"	36.948606
"1559134"	282.978806	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+K-2H"	36.948606
"945924"	291.028394	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-H+HCOOH"	44.998194
"364872"	537.058601	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+HCOOH-H"	44.998201
"347666"	551.074251	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+Hac-H"	59.013851
"1495040"	305.044051	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Hac-H"	59.013851
"958575"	313.010351	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-H+NaCOOH"	66.980151
"110429"	280.999602	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+2Cl"	69.938804
"552866"	404.014702	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+2Cl"	69.938804
"1022397"	157.984502	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2Cl"	69.938804
"1243073"	324.949085	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Br"	78.918885
"1306252"	327.005072	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Cl+HCOOH"	80.974872
"1327761"	348.987029	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Cl+NaCOOH"	102.956829
"913716"	359.015786	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M-H+CF3COOH"	112.985586
"1296628"	394.992464	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Cl+CF3COOH"	148.962264
"1376978"	211.017524	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H-2H2O"	-35.012676
"1389005"	229.0275	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H-H2O"	-17.0027
"287961"	493.067676	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+H"	1.007276
"679288"	739.097876	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+H"	1.007276
"1354542"	247.037476	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H"	1.007276
"127063"	247.037476	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+2H"	2.014552
"568447"	370.052576	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+2H"	2.014552
"1039066"	124.022376	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2H"	2.014552
"207337"	165.027409333333	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+3H"	3.021828
"645808"	247.037476	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+3H"	3.021828
"1166119"	83.0173426666667	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+3H"	3.021828
"426845"	510.094223	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+NH4"	18.033823
"798420"	756.124423	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+NH4"	18.033823
"1689284"	264.064023	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+NH4"	18.033823
"336465"	255.5507495	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+H+NH4"	19.041099
"731073"	378.5658495	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+H+NH4"	19.041099
"1483804"	132.5356495	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H+NH4"	19.041099
"398109"	515.049618	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+Na"	22.989218
"769315"	761.079818	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+Na"	22.989218
"1618273"	269.019418	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Na"	22.989218
"329911"	258.028447	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+H+Na"	23.996494
"722388"	381.043547	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+H+Na"	23.996494
"1475883"	135.013347	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H+Na"	23.996494
"1068157"	90.3446566666667	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2H+Na"	25.00377
"1272587"	279.063686	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+CH3OH+H"	33.033486
"387915"	531.023558	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+K"	38.963158
"745629"	777.053758	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+K"	38.963158
"1544402"	284.993358	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+K"	38.963158
"309236"	266.015417	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+H+K"	39.970434
"707048"	389.030517	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+H+K"	39.970434
"1460707"	143.000317	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H+K"	39.970434
"247368"	534.094226	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+ACN+H"	42.033826
"1223355"	288.064026	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+ACN+H"	42.033826
"1207240"	144.535651	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+ACN+2H"	43.041102
"201567"	537.03156	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+2Na-H"	44.97116
"640760"	783.06176	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+2Na-H"	44.97116
"1137704"	291.00136	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2Na-H"	44.97116
"179901"	269.019418	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+2Na"	45.978436
"618367"	392.034518	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+2Na"	45.978436
"1121883"	146.004318	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2Na"	45.978436
"1403220"	97.6719706666667	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H+2Na"	46.985712
"1434244"	293.042946	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H+HCOOH"	47.012746
"228313"	274.05244	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+3H2O+2H"	56.04448
"1515281"	307.09499	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+IsoProp+H"	61.06479
"410590"	277.006388	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+Na+K"	61.952376
"778150"	400.021488	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+Na+K"	61.952376
"1671200"	153.991288	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Na+K"	61.952376
"253340"	556.076168	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+ACN+Na"	64.015768
"1229331"	310.045968	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+ACN+Na"	64.015768
"1717123"	310.069493	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+NH4+HCOOH"	64.039293
"1184665"	104.999284666667	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+3Na"	68.967654
"1654562"	315.024888	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Na+HCOOH"	68.994688
"161424"	568.97944	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+2K-H"	76.91904
"600985"	815.00964	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+2K-H"	76.91904
"1089869"	322.94924	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2K-H"	76.91904
"154346"	284.993358	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"2M+2K"	77.926316
"593905"	408.008458	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"3M+2K"	77.926316
"1081699"	161.978258	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2K"	77.926316
"1114548"	324.963792	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2K+H"	78.933592
"1350083"	325.051407	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+DMSO+H"	79.021207
"1015452"	329.090576	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2ACN+H"	83.060376
"1534668"	330.084208	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+IsoProp+Na+H"	84.054008
"1003305"	165.048926	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+2ACN+2H"	84.067652
"1600731"	330.998828	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+K+HCOOH"	84.968628
"1429307"	361.030338	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+H+CF3COOH"	115.000138
"1161411"	185.562201	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+3ACN+2H"	125.094202
"1710960"	378.056885	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+NH4+CF3COOH"	132.026685
"1649852"	383.01228	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+Na+CF3COOH"	136.98208
"1575702"	398.98622	"C18987"	"Fonofos;Dyphonate"	"C10H15OPS2"	"246.0302"	"M+K+CF3COOH"	152.95602
"809347"	256.9945	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M"	0
"980692"	237.97611	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-H2O-H"	-19.01839
"65652"	170.322390666667	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M-3H"	-3.021828
"504482"	255.987224	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M-3H"	-3.021828
"881921"	84.6575573333333	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-3H"	-3.021828
"4867"	255.987224	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M-2H"	-2.014552
"443700"	384.484474	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M-2H"	-2.014552
"820048"	127.489974	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-2H"	-2.014552
"84414"	512.981724	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M-H"	-1.007276
"520330"	769.976224	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M-H"	-1.007276
"897039"	255.987224	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-H"	-1.007276
"49951"	530.008271	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M-2H+NH4"	16.019271
"489878"	787.002771	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M-2H+NH4"	16.019271
"866222"	273.013771	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-2H+NH4"	16.019271
"33514"	534.963666	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M-2H+Na"	20.974666
"472104"	791.958166	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M-2H+Na"	20.974666
"857691"	277.969166	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-2H+Na"	20.974666
"1625037"	277.969166	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Na-2H"	20.974666
"104850"	273.975563	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M-H+Cl"	33.962126
"538939"	402.472813	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M-H+Cl"	33.962126
"936828"	145.478313	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-H+Cl"	33.962126
"274289"	548.958402	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+Cl"	34.969402
"665618"	805.952902	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+Cl"	34.969402
"1274374"	291.963902	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Cl"	34.969402
"20580"	550.937606	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M-2H+K"	36.948606
"461238"	807.932106	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M-2H+K"	36.948606
"841226"	293.943106	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-2H+K"	36.948606
"1557422"	293.943106	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+K-2H"	36.948606
"943848"	301.992694	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-H+HCOOH"	44.998194
"363524"	558.987201	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+HCOOH-H"	44.998201
"347776"	573.002851	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+Hac-H"	59.013851
"1494787"	316.008351	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Hac-H"	59.013851
"958714"	323.974651	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-H+NaCOOH"	66.980151
"110257"	291.963902	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+2Cl"	69.938804
"552977"	420.461152	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+2Cl"	69.938804
"1023236"	163.466652	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2Cl"	69.938804
"1242086"	335.913385	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Br"	78.918885
"1304411"	337.969372	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Cl+HCOOH"	80.974872
"1328965"	359.951329	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Cl+NaCOOH"	102.956829
"917106"	369.980086	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M-H+CF3COOH"	112.985586
"1297831"	405.956764	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Cl+CF3COOH"	148.962264
"1374901"	221.981824	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H-2H2O"	-35.012676
"1390208"	239.9918	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H-H2O"	-17.0027
"290987"	514.996276	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+H"	1.007276
"678305"	771.990776	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+H"	1.007276
"1353559"	258.001776	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H"	1.007276
"127172"	258.001776	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+2H"	2.014552
"566370"	386.499026	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+2H"	2.014552
"1038811"	129.504526	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2H"	2.014552
"207084"	172.336942666667	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+3H"	3.021828
"645189"	258.001776	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+3H"	3.021828
"1165137"	86.6721093333334	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+3H"	3.021828
"429871"	532.022823	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+NH4"	18.033823
"797438"	789.017323	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+NH4"	18.033823
"1687207"	275.028323	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+NH4"	18.033823
"336575"	266.5150495	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+H+NH4"	19.041099
"730090"	395.0122995	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+H+NH4"	19.041099
"1486101"	138.0177995	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H+NH4"	19.041099
"400406"	536.978218	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+Na"	22.989218
"766870"	793.972718	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+Na"	22.989218
"1618102"	279.983718	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Na"	22.989218
"329553"	268.992747	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+H+Na"	23.996494
"722763"	397.489997	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+H+Na"	23.996494
"1476639"	140.495497	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H+Na"	23.996494
"1068306"	93.9994233333333	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2H+Na"	25.00377
"1271640"	290.027986	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+CH3OH+H"	33.033486
"388025"	552.952158	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+K"	38.963158
"746832"	809.946658	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+K"	38.963158
"1544512"	295.957658	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+K"	38.963158
"309346"	276.979717	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+H+K"	39.970434
"706722"	405.476967	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+H+K"	39.970434
"1461109"	148.482467	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H+K"	39.970434
"250271"	556.022826	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+ACN+H"	42.033826
"1224557"	299.028326	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+ACN+H"	42.033826
"1207351"	150.017801	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+ACN+2H"	43.041102
"203013"	558.96016	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+2Na-H"	44.97116
"641964"	815.95466	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+2Na-H"	44.97116
"1135627"	301.96566	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2Na-H"	44.97116
"180011"	279.983718	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+2Na"	45.978436
"618477"	408.480968	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+2Na"	45.978436
"1125996"	151.486468	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2Na"	45.978436
"1404787"	101.326737333333	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H+2Na"	46.985712
"1436541"	304.007246	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H+HCOOH"	47.012746
"229516"	285.01674	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+3H2O+2H"	56.04448
"1516484"	318.05929	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+IsoProp+H"	61.06479
"411065"	287.970688	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+Na+K"	61.952376
"778260"	416.467938	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+Na+K"	61.952376
"1671310"	159.473438	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Na+K"	61.952376
"253937"	578.004768	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+ACN+Na"	64.015768
"1226890"	321.010268	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+ACN+Na"	64.015768
"1716869"	321.033793	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+NH4+HCOOH"	64.039293
"1183317"	108.654051333333	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+3Na"	68.967654
"1654672"	325.989188	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Na+HCOOH"	68.994688
"160441"	590.90804	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+2K-H"	76.91904
"601095"	847.90254	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+2K-H"	76.91904
"1092164"	333.91354	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2K-H"	76.91904
"156521"	295.957658	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"2M+2K"	77.926316
"596201"	424.454908	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"3M+2K"	77.926316
"1081809"	167.460408	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2K"	77.926316
"1113807"	335.928092	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2K+H"	78.933592
"1347033"	336.015707	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+DMSO+H"	79.021207
"1015562"	340.054876	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2ACN+H"	83.060376
"1534778"	341.048508	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+IsoProp+Na+H"	84.054008
"1002322"	170.531076	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+2ACN+2H"	84.067652
"1601934"	341.963128	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+K+HCOOH"	84.968628
"1426860"	371.994638	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+H+CF3COOH"	115.000138
"1158239"	191.044351	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+3ACN+2H"	125.094202
"1706696"	389.021185	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+NH4+CF3COOH"	132.026685
"1648546"	393.97658	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+Na+CF3COOH"	136.98208
"1575812"	409.95052	"C18988"	"Formothion"	"C6H12NO4PS2"	"256.9945"	"M+K+CF3COOH"	152.95602
"806177"	367.0232	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M"	0
"980802"	348.00481	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-H2O-H"	-19.01839
"63817"	243.674857333333	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M-3H"	-3.021828
"503334"	366.015924	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M-3H"	-3.021828
"881302"	121.333790666667	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-3H"	-3.021828
"2426"	366.015924	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H"	-2.014552
"443448"	549.527524	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H"	-2.014552
"821253"	182.504324	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-2H"	-2.014552
"84525"	733.039124	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M-H"	-1.007276
"520193"	1100.062324	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M-H"	-1.007276
"897149"	366.015924	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-H"	-1.007276
"48117"	750.065671	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H+NH4"	16.019271
"489135"	1117.088871	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H+NH4"	16.019271
"866332"	383.042471	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-2H+NH4"	16.019271
"32894"	755.021066	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H+Na"	20.974666
"472457"	1122.044266	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H+Na"	20.974666
"854521"	387.997866	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-2H+Na"	20.974666
"1625147"	387.997866	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Na-2H"	20.974666
"102772"	384.004263	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M-H+Cl"	33.962126
"537956"	567.515863	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M-H+Cl"	33.962126
"936938"	200.492663	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-H+Cl"	33.962126
"271119"	769.015802	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+Cl"	34.969402
"665728"	1136.039002	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+Cl"	34.969402
"1279223"	401.992602	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl"	34.969402
"18503"	770.995006	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M-2H+K"	36.948606
"462441"	1138.018206	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M-2H+K"	36.948606
"840242"	403.971806	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-2H+K"	36.948606
"1557168"	403.971806	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+K-2H"	36.948606
"945052"	412.021394	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-H+HCOOH"	44.998194
"364361"	779.044601	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+HCOOH-H"	44.998201
"348618"	793.060251	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+Hac-H"	59.013851
"1494533"	426.037051	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Hac-H"	59.013851
"958546"	434.003351	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-H+NaCOOH"	66.980151
"110036"	401.992602	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+2Cl"	69.938804
"550202"	585.504202	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+2Cl"	69.938804
"1022127"	218.481002	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2Cl"	69.938804
"1242558"	445.942085	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Br"	78.918885
"1306100"	447.998072	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl+HCOOH"	80.974872
"1325430"	469.980029	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl+NaCOOH"	102.956829
"917216"	480.008786	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M-H+CF3COOH"	112.985586
"1300129"	515.985464	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Cl+CF3COOH"	148.962264
"1377197"	332.010524	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H-2H2O"	-35.012676
"1390318"	350.0205	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H-H2O"	-17.0027
"286724"	735.053676	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+H"	1.007276
"677686"	1102.076876	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+H"	1.007276
"1352573"	368.030476	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H"	1.007276
"126099"	368.030476	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+2H"	2.014552
"566478"	551.542076	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+2H"	2.014552
"1038191"	184.518876	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2H"	2.014552
"208286"	245.689409333333	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+3H"	3.021828
"644937"	368.030476	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+3H"	3.021828
"1164883"	123.348342666667	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+3H"	3.021828
"429981"	752.080223	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+NH4"	18.033823
"799978"	1119.103423	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+NH4"	18.033823
"1689503"	385.057023	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+NH4"	18.033823
"339963"	376.5437495	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+H+NH4"	19.041099
"733477"	560.0553495	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+H+NH4"	19.041099
"1486211"	193.0321495	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H+NH4"	19.041099
"400513"	757.035618	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+Na"	22.989218
"765887"	1124.058818	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+Na"	22.989218
"1617881"	390.012418	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Na"	22.989218
"328275"	379.021447	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+H+Na"	23.996494
"722767"	562.533047	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+H+Na"	23.996494
"1476344"	195.509847	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H+Na"	23.996494
"1066670"	130.675656666667	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2H+Na"	25.00377
"1271385"	400.056686	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+CH3OH+H"	33.033486
"388135"	773.009558	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+K"	38.963158
"746941"	1140.032758	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+K"	38.963158
"1544622"	405.986358	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+K"	38.963158
"309456"	387.008417	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+H+K"	39.970434
"706502"	570.520017	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+H+K"	39.970434
"1460683"	203.496817	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H+K"	39.970434
"248679"	776.080226	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+ACN+H"	42.033826
"1221385"	409.057026	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+ACN+H"	42.033826
"1207822"	205.032151	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+ACN+2H"	43.041102
"201786"	779.01756	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+2Na-H"	44.97116
"640983"	1146.04076	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+2Na-H"	44.97116
"1136832"	411.99436	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2Na-H"	44.97116
"177935"	390.012418	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+2Na"	45.978436
"617494"	573.524018	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+2Na"	45.978436
"1124284"	206.500818	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2Na"	45.978436
"1405622"	138.002970666667	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H+2Na"	46.985712
"1439923"	414.035946	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H+HCOOH"	47.012746
"229626"	395.04544	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+3H2O+2H"	56.04448
"1513314"	428.08799	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+IsoProp+H"	61.06479
"413728"	397.999388	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+Na+K"	61.952376
"773630"	581.510988	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+Na+K"	61.952376
"1667407"	214.487788	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Na+K"	61.952376
"255022"	798.062168	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+ACN+Na"	64.015768
"1227000"	431.038968	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+ACN+Na"	64.015768
"1715521"	431.062493	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+NH4+HCOOH"	64.039293
"1183062"	145.330284666667	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+3Na"	68.967654
"1654780"	436.017888	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Na+HCOOH"	68.994688
"160915"	810.96544	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+2K-H"	76.91904
"602298"	1177.98864	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+2K-H"	76.91904
"1090451"	443.94224	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2K-H"	76.91904
"153470"	405.986358	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"2M+2K"	77.926316
"594124"	589.497958	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"3M+2K"	77.926316
"1080825"	222.474758	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2K"	77.926316
"1114646"	445.956792	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2K+H"	78.933592
"1349209"	446.044407	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+DMSO+H"	79.021207
"1016766"	450.083576	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2ACN+H"	83.060376
"1534888"	451.077208	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+IsoProp+Na+H"	84.054008
"1004134"	225.545426	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+2ACN+2H"	84.067652
"1602167"	451.991828	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+K+HCOOH"	84.968628
"1426970"	482.023338	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+H+CF3COOH"	115.000138
"1156163"	246.058701	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+3ACN+2H"	125.094202
"1706806"	499.049885	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+NH4+CF3COOH"	132.026685
"1648656"	504.00528	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+Na+CF3COOH"	136.98208
"1575922"	519.97922	"C18989"	"Fosmethilan"	"C13H19ClNO3PS2"	"367.0232"	"M+K+CF3COOH"	152.95602
"811757"	121.0891	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M"	0
"983102"	102.07071	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-H2O-H"	-19.01839
"68063"	79.7187906666667	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M-3H"	-3.021828
"506893"	120.081824	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M-3H"	-3.021828
"887616"	39.3557573333333	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-3H"	-3.021828
"7287"	120.081824	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M-2H"	-2.014552
"451220"	180.626374	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M-2H"	-2.014552
"821369"	59.537274	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-2H"	-2.014552
"80264"	241.170924	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M-H"	-1.007276
"520916"	362.260024	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M-H"	-1.007276
"897991"	120.081824	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-H"	-1.007276
"49085"	258.197471	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M-2H+NH4"	16.019271
"492659"	379.286571	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M-2H+NH4"	16.019271
"873743"	137.108371	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-2H+NH4"	16.019271
"42741"	263.152866	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M-2H+Na"	20.974666
"480115"	384.241966	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M-2H+Na"	20.974666
"852447"	142.063766	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-2H+Na"	20.974666
"1621981"	142.063766	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Na-2H"	20.974666
"96322"	138.070163	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M-H+Cl"	33.962126
"540255"	198.614713	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M-H+Cl"	33.962126
"932675"	77.525613	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-H+Cl"	33.962126
"271231"	277.147602	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+Cl"	34.969402
"661472"	398.236702	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+Cl"	34.969402
"1277157"	156.058502	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Cl"	34.969402
"16063"	279.126806	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M-2H+K"	36.948606
"460367"	400.215906	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M-2H+K"	36.948606
"839262"	158.037706	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-2H+K"	36.948606
"1556917"	158.037706	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+K-2H"	36.948606
"948819"	166.087294	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-H+HCOOH"	44.998194
"366669"	287.176401	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+HCOOH-H"	44.998201
"348363"	301.192051	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+Hac-H"	59.013851
"1493347"	180.102951	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Hac-H"	59.013851
"960359"	188.069251	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-H+NaCOOH"	66.980151
"111816"	156.058502	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+2Cl"	69.938804
"550157"	216.603052	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+2Cl"	69.938804
"1022362"	95.513952	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2Cl"	69.938804
"1244868"	200.007985	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Br"	78.918885
"1311692"	202.063972	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Cl+HCOOH"	80.974872
"1332113"	224.045929	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Cl+NaCOOH"	102.956829
"921348"	234.074686	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M-H+CF3COOH"	112.985586
"1300242"	270.051364	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Cl+CF3COOH"	148.962264
"1374027"	86.076424	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H-2H2O"	-35.012676
"1387149"	104.0864	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H-H2O"	-17.0027
"287929"	243.185476	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+H"	1.007276
"678527"	364.274576	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+H"	1.007276
"1353784"	122.096376	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H"	1.007276
"126426"	122.096376	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+2H"	2.014552
"567694"	182.640926	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+2H"	2.014552
"1042329"	61.551826	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2H"	2.014552
"210231"	81.7333426666667	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+3H"	3.021828
"648698"	122.096376	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+3H"	3.021828
"1177402"	41.3703093333333	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+3H"	3.021828
"437756"	260.212023	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+NH4"	18.033823
"797657"	381.301123	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+NH4"	18.033823
"1688518"	139.122923	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+NH4"	18.033823
"344344"	130.6096495	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+H+NH4"	19.041099
"738062"	191.1541995	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+H+NH4"	19.041099
"1491305"	70.0650995	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H+NH4"	19.041099
"407929"	265.167418	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+Na"	22.989218
"768559"	386.256518	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+Na"	22.989218
"1617264"	144.078318	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Na"	22.989218
"328636"	133.087347	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+H+Na"	23.996494
"721540"	193.631897	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+H+Na"	23.996494
"1476693"	72.542797	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H+Na"	23.996494
"1065807"	48.6976233333333	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2H+Na"	25.00377
"1271818"	154.122586	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+CH3OH+H"	33.033486
"391899"	281.141358	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+K"	38.963158
"752898"	402.230458	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+K"	38.963158
"1552036"	160.052258	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+K"	38.963158
"311396"	141.074317	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+H+K"	39.970434
"701995"	201.618867	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+H+K"	39.970434
"1456908"	80.529767	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H+K"	39.970434
"246605"	284.212026	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+ACN+H"	42.033826
"1219312"	163.122926	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+ACN+H"	42.033826
"1204289"	82.065101	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+ACN+2H"	43.041102
"200077"	287.14936	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+2Na-H"	44.97116
"637814"	408.23846	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+2Na-H"	44.97116
"1141318"	166.06026	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2Na-H"	44.97116
"173024"	144.078318	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+2Na"	45.978436
"612987"	204.622868	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+2Na"	45.978436
"1118200"	83.533768	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2Na"	45.978436
"1411941"	56.0249373333333	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H+2Na"	46.985712
"1435671"	168.101846	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H+HCOOH"	47.012746
"227553"	149.11134	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+3H2O+2H"	56.04448
"1521450"	182.15389	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+IsoProp+H"	61.06479
"423323"	152.065288	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+Na+K"	61.952376
"784681"	212.609838	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+Na+K"	61.952376
"1677001"	91.520738	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Na+K"	61.952376
"254772"	306.193968	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+ACN+Na"	64.015768
"1227476"	185.104868	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+ACN+Na"	64.015768
"1717460"	185.128393	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+NH4+HCOOH"	64.039293
"1190472"	63.3522513333333	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+3Na"	68.967654
"1660363"	190.083788	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Na+HCOOH"	68.994688
"165037"	319.09724	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+2K-H"	76.91904
"608978"	440.18634	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+2K-H"	76.91904
"1096769"	198.00814	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2K-H"	76.91904
"156386"	160.052258	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"2M+2K"	77.926316
"593882"	220.596808	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"3M+2K"	77.926316
"1080943"	99.507708	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2K"	77.926316
"1113792"	200.022692	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2K+H"	78.933592
"1347259"	200.110307	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+DMSO+H"	79.021207
"1018950"	204.149476	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2ACN+H"	83.060376
"1529539"	205.143108	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+IsoProp+Na+H"	84.054008
"997080"	102.578376	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+2ACN+2H"	84.067652
"1600331"	206.057728	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+K+HCOOH"	84.968628
"1427083"	236.089238	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+H+CF3COOH"	115.000138
"1160653"	123.091651	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+3ACN+2H"	125.094202
"1710202"	253.115785	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+NH4+CF3COOH"	132.026685
"1644758"	258.07118	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+Na+CF3COOH"	136.98208
"1579314"	274.04512	"C18993"	"25-Xylidine;25-Dimethyl-benzenamine"	"C8H11N"	"121.0891"	"M+K+CF3COOH"	152.95602
"806404"	240.9996	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M"	0
"978844"	221.98121	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-H2O-H"	-19.01839
"68182"	159.659124	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M-3H"	-3.021828
"507741"	239.992324	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M-3H"	-3.021828
"881289"	79.325924	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-3H"	-3.021828
"5213"	239.992324	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M-2H"	-2.014552
"450241"	360.492124	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M-2H"	-2.014552
"820386"	119.492524	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-2H"	-2.014552
"85849"	480.991924	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M-H"	-1.007276
"532705"	721.991524	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M-H"	-1.007276
"901028"	239.992324	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-H"	-1.007276
"56496"	498.018471	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M-2H+NH4"	16.019271
"490589"	739.018071	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M-2H+NH4"	16.019271
"874952"	257.018871	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-2H+NH4"	16.019271
"39572"	502.973866	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M-2H+Na"	20.974666
"476945"	743.973466	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M-2H+Na"	20.974666
"858027"	261.974266	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-2H+Na"	20.974666
"1625374"	261.974266	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Na-2H"	20.974666
"108101"	257.980663	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M-H+Cl"	33.962126
"540373"	378.480463	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M-H+Cl"	33.962126
"929513"	137.480863	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-H+Cl"	33.962126
"274635"	516.968602	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+Cl"	34.969402
"663776"	757.968202	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+Cl"	34.969402
"1276182"	275.969002	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Cl"	34.969402
"20196"	518.947806	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M-2H+K"	36.948606
"460485"	759.947406	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M-2H+K"	36.948606
"839380"	277.948206	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-2H+K"	36.948606
"1559587"	277.948206	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+K-2H"	36.948606
"948929"	285.997794	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-H+HCOOH"	44.998194
"367872"	526.997401	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+HCOOH-H"	44.998201
"353217"	541.013051	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+Hac-H"	59.013851
"1496215"	300.013451	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Hac-H"	59.013851
"963767"	307.979751	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-H+NaCOOH"	66.980151
"115224"	275.969002	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+2Cl"	69.938804
"559889"	396.468802	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+2Cl"	69.938804
"1030878"	155.469202	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2Cl"	69.938804
"1253736"	319.918485	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Br"	78.918885
"1317643"	321.974472	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Cl+HCOOH"	80.974872
"1332587"	343.956429	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Cl+NaCOOH"	102.956829
"923645"	353.985186	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M-H+CF3COOH"	112.985586
"1299261"	389.961864	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Cl+CF3COOH"	148.962264
"1378516"	205.986924	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H-2H2O"	-35.012676
"1398129"	223.9969	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H-H2O"	-17.0027
"296803"	483.006476	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+H"	1.007276
"690806"	724.006076	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+H"	1.007276
"1365940"	242.006876	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H"	1.007276
"137372"	242.006876	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+2H"	2.014552
"579118"	362.506676	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+2H"	2.014552
"1050105"	121.507076	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2H"	2.014552
"218737"	161.673676	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+3H"	3.021828
"659030"	242.006876	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+3H"	3.021828
"1178369"	81.340476	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+3H"	3.021828
"438967"	500.033023	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+NH4"	18.033823
"800935"	741.032623	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+NH4"	18.033823
"1696498"	259.033423	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+NH4"	18.033823
"345307"	250.5201495	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+H+NH4"	19.041099
"737848"	371.0199495	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+H+NH4"	19.041099
"1491418"	130.0203495	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H+NH4"	19.041099
"407425"	504.988418	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+Na"	22.989218
"769764"	745.988018	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+Na"	22.989218
"1618267"	263.988818	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Na"	22.989218
"324248"	252.997847	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+H+Na"	23.996494
"717770"	373.497647	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+H+Na"	23.996494
"1470497"	132.498047	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H+Na"	23.996494
"1053534"	88.66779	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2H+Na"	25.00377
"1264325"	274.033086	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+CH3OH+H"	33.033486
"383994"	520.962358	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+K"	38.963158
"744988"	761.961958	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+K"	38.963158
"1541576"	279.962758	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+K"	38.963158
"302034"	260.984817	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+H+K"	39.970434
"693361"	381.484617	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+H+K"	39.970434
"1446694"	140.485017	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H+K"	39.970434
"243440"	524.033026	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+ACN+H"	42.033826
"1216151"	283.033426	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+ACN+H"	42.033826
"1203316"	142.020351	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+ACN+2H"	43.041102
"198374"	526.97036	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+2Na-H"	44.97116
"635750"	767.96996	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+2Na-H"	44.97116
"1142535"	285.97076	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2Na-H"	44.97116
"185826"	263.988818	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+2Na"	45.978436
"622105"	384.488618	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+2Na"	45.978436
"1126704"	143.489018	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2Na"	45.978436
"1405857"	95.995104	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H+2Na"	46.985712
"1442347"	288.012346	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H+HCOOH"	47.012746
"230947"	269.02184	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+3H2O+2H"	56.04448
"1517915"	302.06439	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+IsoProp+H"	61.06479
"420882"	271.975788	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+Na+K"	61.952376
"784432"	392.475588	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+Na+K"	61.952376
"1678940"	151.475988	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Na+K"	61.952376
"265097"	546.014968	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+ACN+Na"	64.015768
"1239262"	305.015368	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+ACN+Na"	64.015768
"1727298"	305.038893	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+NH4+HCOOH"	64.039293
"1191319"	103.322418	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+3Na"	68.967654
"1659757"	309.994288	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Na+HCOOH"	68.994688
"166254"	558.91824	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+2K-H"	76.91904
"602536"	799.91784	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+2K-H"	76.91904
"1091059"	317.91864	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2K-H"	76.91904
"148967"	279.962758	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"2M+2K"	77.926316
"584518"	400.462558	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"3M+2K"	77.926316
"1070123"	159.462958	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2K"	77.926316
"1100210"	319.933192	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2K+H"	78.933592
"1338624"	320.020807	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+DMSO+H"	79.021207
"1015897"	324.059976	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2ACN+H"	83.060376
"1526366"	325.053608	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+IsoProp+Na+H"	84.054008
"991721"	162.533626	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+2ACN+2H"	84.067652
"1593877"	325.968228	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+K+HCOOH"	84.968628
"1421723"	355.999738	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+H+CF3COOH"	115.000138
"1156388"	183.046901	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+3ACN+2H"	125.094202
"1701566"	373.026285	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+NH4+CF3COOH"	132.026685
"1644871"	377.98168	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+Na+CF3COOH"	136.98208
"1579428"	393.95562	"C18999"	"Fosthietan"	"C6H12NO3PS2"	"240.9996"	"M+K+CF3COOH"	152.95602
"806514"	304.039	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M"	0
"974823"	285.02061	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-H2O-H"	-19.01839
"67199"	201.685390666667	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M-3H"	-3.021828
"505665"	303.031724	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M-3H"	-3.021828
"880427"	100.339057333333	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-3H"	-3.021828
"5323"	303.031724	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M-2H"	-2.014552
"450351"	455.051224	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M-2H"	-2.014552
"819767"	151.012224	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-2H"	-2.014552
"84866"	607.070724	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M-H"	-1.007276
"530991"	911.109724	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M-H"	-1.007276
"901138"	303.031724	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-H"	-1.007276
"56606"	624.097271	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M-2H+NH4"	16.019271
"487661"	928.136271	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M-2H+NH4"	16.019271
"875062"	320.058271	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-2H+NH4"	16.019271
"39682"	629.052666	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M-2H+Na"	20.974666
"477055"	933.091666	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M-2H+Na"	20.974666
"858137"	325.013666	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-2H+Na"	20.974666
"1625484"	325.013666	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M+Na-2H"	20.974666
"105295"	321.020063	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M-H+Cl"	33.962126
"537202"	473.039563	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M-H+Cl"	33.962126
"929623"	169.000563	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-H+Cl"	33.962126
"274745"	643.047402	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+Cl"	34.969402
"664978"	947.086402	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M+Cl"	34.969402
"1275198"	339.008402	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M+Cl"	34.969402
"18848"	645.026606	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M-2H+K"	36.948606
"459501"	949.065606	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M-2H+K"	36.948606
"839489"	340.987606	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-2H+K"	36.948606
"1560790"	340.987606	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M+K-2H"	36.948606
"950860"	349.037194	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M-H+HCOOH"	44.998194
"370168"	653.076201	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+HCOOH-H"	44.998201
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"117885"	339.008402	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+2Cl"	69.938804
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"438350"	626.111823	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+NH4"	18.033823
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"345540"	313.5595495	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+H+NH4"	19.041099
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"407777"	631.067218	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+Na"	22.989218
"769782"	935.106218	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M+Na"	22.989218
"1618318"	327.028218	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M+Na"	22.989218
"324358"	316.037247	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+H+Na"	23.996494
"721888"	468.056747	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"3M+H+Na"	23.996494
"1472793"	164.017747	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M+H+Na"	23.996494
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"1546059"	343.002158	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M+K"	38.963158
"305422"	324.024217	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"2M+H+K"	39.970434
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"1726434"	368.078293	"C19000"	"IPSP"	"C9H21O3PS3"	"304.039"	"M+NH4+HCOOH"	64.039293
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"345641"	322.5622495	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+H+NH4"	19.041099
"738068"	479.0830995	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+H+NH4"	19.041099
"1492534"	166.0413995	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+H+NH4"	19.041099
"408500"	649.072618	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+Na"	22.989218
"769927"	962.114318	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+Na"	22.989218
"1618284"	336.030918	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+Na"	22.989218
"329949"	325.039947	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+H+Na"	23.996494
"721265"	481.560797	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+H+Na"	23.996494
"1472903"	168.519097	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+H+Na"	23.996494
"1057399"	112.681823333333	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2H+Na"	25.00377
"1267824"	346.075186	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+CH3OH+H"	33.033486
"387493"	665.046558	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+K"	38.963158
"741927"	978.088258	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+K"	38.963158
"1546169"	352.004858	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+K"	38.963158
"304439"	333.026917	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+H+K"	39.970434
"695766"	489.547767	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+H+K"	39.970434
"1447763"	176.506067	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+H+K"	39.970434
"239280"	668.117226	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+ACN+H"	42.033826
"1213083"	355.075526	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+ACN+H"	42.033826
"1196603"	178.041401	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+ACN+2H"	43.041102
"189957"	671.05456	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+2Na-H"	44.97116
"630126"	984.09626	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+2Na-H"	44.97116
"1133024"	358.01286	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2Na-H"	44.97116
"179117"	336.030918	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+2Na"	45.978436
"619404"	492.551768	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+2Na"	45.978436
"1122549"	179.510068	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2Na"	45.978436
"1409353"	120.009137333333	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+H+2Na"	46.985712
"1439284"	360.054446	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+H+HCOOH"	47.012746
"226792"	341.06394	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+3H2O+2H"	56.04448
"1517042"	374.10649	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+IsoProp+H"	61.06479
"417822"	344.017888	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+Na+K"	61.952376
"782099"	500.538738	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+Na+K"	61.952376
"1677337"	187.497038	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+Na+K"	61.952376
"262765"	690.099168	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+ACN+Na"	64.015768
"1234379"	377.057468	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+ACN+Na"	64.015768
"1725451"	377.080993	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+NH4+HCOOH"	64.039293
"1190808"	127.336451333333	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+3Na"	68.967654
"1661800"	382.036388	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+Na+HCOOH"	68.994688
"166476"	703.00244	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+2K-H"	76.91904
"606035"	1016.04414	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+2K-H"	76.91904
"1093831"	389.96074	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2K-H"	76.91904
"149552"	352.004858	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"2M+2K"	77.926316
"583645"	508.525708	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"3M+2K"	77.926316
"1072532"	195.484008	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2K"	77.926316
"1103553"	391.975292	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2K+H"	78.933592
"1341030"	392.062907	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+DMSO+H"	79.021207
"1015024"	396.102076	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2ACN+H"	83.060376
"1526586"	397.095708	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+IsoProp+Na+H"	84.054008
"991941"	198.554676	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+2ACN+2H"	84.067652
"1595190"	398.010328	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+K+HCOOH"	84.968628
"1423038"	428.041838	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+H+CF3COOH"	115.000138
"1156608"	219.067951	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+3ACN+2H"	125.094202
"1703973"	445.068385	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+NH4+CF3COOH"	132.026685
"1645091"	450.02378	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+Na+CF3COOH"	136.98208
"1579648"	465.99772	"C19001"	"Isazofos"	"C9H17ClN3O3PS"	"313.0417"	"M+K+CF3COOH"	152.95602
"806734"	411.8354	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M"	0
"976988"	392.81701	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-H2O-H"	-19.01839
"64138"	273.549657333333	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M-3H"	-3.021828
"504425"	410.828124	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M-3H"	-3.021828
"880357"	136.271190666667	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-3H"	-3.021828
"315"	410.828124	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M-2H"	-2.014552
"441577"	616.745824	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M-2H"	-2.014552
"818530"	204.910424	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-2H"	-2.014552
"86179"	822.663524	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M-H"	-1.007276
"528657"	1234.498924	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M-H"	-1.007276
"901355"	410.828124	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-H"	-1.007276
"47300"	839.690071	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M-2H+NH4"	16.019271
"487881"	1251.525471	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M-2H+NH4"	16.019271
"865683"	427.854671	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-2H+NH4"	16.019271
"39902"	844.645466	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M-2H+Na"	20.974666
"473995"	1256.480866	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M-2H+Na"	20.974666
"855077"	432.810066	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-2H+Na"	20.974666
"1625704"	432.810066	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Na-2H"	20.974666
"105151"	428.816463	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M-H+Cl"	33.962126
"537423"	634.734163	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M-H+Cl"	33.962126
"930937"	222.898763	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-H+Cl"	33.962126
"268161"	858.640202	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+Cl"	34.969402
"662647"	1270.475602	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+Cl"	34.969402
"1275418"	446.804802	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Cl"	34.969402
"21253"	860.619406	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M-2H+K"	36.948606
"458628"	1272.454806	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M-2H+K"	36.948606
"834241"	448.784006	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-2H+K"	36.948606
"1557361"	448.784006	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+K-2H"	36.948606
"944518"	456.833594	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-H+HCOOH"	44.998194
"366015"	868.669001	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+HCOOH-H"	44.998201
"349899"	882.684651	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+Hac-H"	59.013851
"1496180"	470.849251	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Hac-H"	59.013851
"960440"	478.815551	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-H+NaCOOH"	66.980151
"115189"	446.804802	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+2Cl"	69.938804
"559126"	652.722502	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+2Cl"	69.938804
"1029020"	240.887102	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2Cl"	69.938804
"1251878"	490.754285	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Br"	78.918885
"1315422"	492.810272	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Cl+HCOOH"	80.974872
"1330730"	514.792229	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Cl+NaCOOH"	102.956829
"923975"	524.820986	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M-H+CF3COOH"	112.985586
"1299591"	560.797664	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Cl+CF3COOH"	148.962264
"1378846"	376.822724	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H-2H2O"	-35.012676
"1396347"	394.8327	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H-H2O"	-17.0027
"297132"	824.678076	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+H"	1.007276
"690645"	1236.513476	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+H"	1.007276
"1366514"	412.842676	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H"	1.007276
"140501"	412.842676	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+2H"	2.014552
"580916"	618.760376	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+2H"	2.014552
"1051171"	206.924976	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2H"	2.014552
"218341"	275.564209333333	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+3H"	3.021828
"659484"	412.842676	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+3H"	3.021828
"1178401"	138.285742666667	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+3H"	3.021828
"438572"	841.704623	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+NH4"	18.033823
"800540"	1253.540023	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+NH4"	18.033823
"1696509"	429.869223	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+NH4"	18.033823
"345630"	421.3559495	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+H+NH4"	19.041099
"737815"	627.2736495	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+H+NH4"	19.041099
"1491996"	215.4382495	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H+NH4"	19.041099
"407639"	846.660018	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+Na"	22.989218
"769485"	1258.495418	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+Na"	22.989218
"1617584"	434.824618	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Na"	22.989218
"328831"	423.833647	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+H+Na"	23.996494
"721375"	629.751347	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+H+Na"	23.996494
"1476418"	217.915947	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H+Na"	23.996494
"1058604"	145.613056666667	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2H+Na"	25.00377
"1266841"	444.868886	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+CH3OH+H"	33.033486
"387604"	862.633958	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+K"	38.963158
"740213"	1274.469358	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+K"	38.963158
"1547372"	450.798558	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+K"	38.963158
"304550"	431.820617	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+H+K"	39.970434
"693689"	637.738317	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+H+K"	39.970434
"1446416"	225.902917	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H+K"	39.970434
"237205"	865.704626	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+ACN+H"	42.033826
"1212466"	453.869226	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+ACN+H"	42.033826
"1198900"	227.438251	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+ACN+2H"	43.041102
"189216"	868.64196	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+2Na-H"	44.97116
"630967"	1280.47736	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+2Na-H"	44.97116
"1133013"	456.80656	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2Na-H"	44.97116
"177766"	434.824618	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+2Na"	45.978436
"620244"	640.742318	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+2Na"	45.978436
"1123752"	228.906918	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2Na"	45.978436
"1406183"	152.940370666667	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H+2Na"	46.985712
"1436110"	458.848146	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H+HCOOH"	47.012746
"226902"	439.85764	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+3H2O+2H"	56.04448
"1518245"	472.90019	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+IsoProp+H"	61.06479
"419026"	442.811588	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+Na+K"	61.952376
"781115"	648.729288	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+Na+K"	61.952376
"1674167"	236.893888	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Na+K"	61.952376
"264697"	887.686568	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+ACN+Na"	64.015768
"1235582"	475.851168	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+ACN+Na"	64.015768
"1726654"	475.874693	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+NH4+HCOOH"	64.039293
"1190918"	160.267684666667	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+3Na"	68.967654
"1661181"	480.830088	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Na+HCOOH"	68.994688
"165493"	900.58984	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+2K-H"	76.91904
"606145"	1312.42524	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+2K-H"	76.91904
"1096855"	488.75444	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2K-H"	76.91904
"149660"	450.798558	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"2M+2K"	77.926316
"585942"	656.716258	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"3M+2K"	77.926316
"1075922"	244.880858	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2K"	77.926316
"1104756"	490.768992	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2K+H"	78.933592
"1342233"	490.856607	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+DMSO+H"	79.021207
"1015133"	494.895776	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2ACN+H"	83.060376
"1529978"	495.889408	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+IsoProp+Na+H"	84.054008
"996425"	247.951526	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+2ACN+2H"	84.067652
"1593113"	496.804028	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+K+HCOOH"	84.968628
"1422054"	526.835538	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+H+CF3COOH"	115.000138
"1156718"	268.464801	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+3ACN+2H"	125.094202
"1705176"	543.862085	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+NH4+CF3COOH"	132.026685
"1645201"	548.81748	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+Na+CF3COOH"	136.98208
"1579758"	564.79142	"C19002"	"Iodofenphos;Jodfenphos"	"C8H8Cl2IO3PS"	"411.8354"	"M+K+CF3COOH"	152.95602
"806844"	425.8649	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M"	0
"977098"	406.84651	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-H2O-H"	-19.01839
"64609"	282.902657333333	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M-3H"	-3.021828
"504169"	424.857624	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M-3H"	-3.021828
"880511"	140.947690666667	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-3H"	-3.021828
"2370"	424.857624	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M-2H"	-2.014552
"441561"	637.790074	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M-2H"	-2.014552
"819120"	211.925174	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-2H"	-2.014552
"83007"	850.722524	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M-H"	-1.007276
"529131"	1276.587424	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M-H"	-1.007276
"902558"	424.857624	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-H"	-1.007276
"49280"	867.749071	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M-2H+NH4"	16.019271
"488112"	1293.613971	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M-2H+NH4"	16.019271
"868831"	441.884171	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-2H+NH4"	16.019271
"40012"	872.704466	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M-2H+Na"	20.974666
"474105"	1298.569366	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M-2H+Na"	20.974666
"858467"	446.839566	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-2H+Na"	20.974666
"1623627"	446.839566	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Na-2H"	20.974666
"108177"	442.845963	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M-H+Cl"	33.962126
"539717"	655.778413	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M-H+Cl"	33.962126
"938701"	229.913513	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-H+Cl"	33.962126
"267375"	886.699202	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+Cl"	34.969402
"666399"	1312.564102	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+Cl"	34.969402
"1276621"	460.834302	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Cl"	34.969402
"20272"	888.678406	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M-2H+K"	36.948606
"458373"	1314.543306	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M-2H+K"	36.948606
"834714"	462.813506	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-2H+K"	36.948606
"1559294"	462.813506	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+K-2H"	36.948606
"946815"	470.863094	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-H+HCOOH"	44.998194
"365031"	896.728001	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+HCOOH-H"	44.998201
"349644"	910.743651	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+Hac-H"	59.013851
"1497748"	484.878751	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Hac-H"	59.013851
"960914"	492.845051	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-H+NaCOOH"	66.980151
"117486"	460.834302	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+2Cl"	69.938804
"554863"	673.766752	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+2Cl"	69.938804
"1026942"	247.901852	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2Cl"	69.938804
"1248708"	504.783785	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Br"	78.918885
"1314439"	506.839772	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Cl+HCOOH"	80.974872
"1329747"	528.821729	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Cl+NaCOOH"	102.956829
"921898"	538.850486	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M-H+CF3COOH"	112.985586
"1298608"	574.827164	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Cl+CF3COOH"	148.962264
"1380049"	390.852224	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H-2H2O"	-35.012676
"1390990"	408.8622	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H-H2O"	-17.0027
"296878"	852.737076	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+H"	1.007276
"689662"	1278.601976	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+H"	1.007276
"1366744"	426.872176	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H"	1.007276
"140239"	426.872176	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+2H"	2.014552
"579565"	639.804626	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+2H"	2.014552
"1050917"	213.939726	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2H"	2.014552
"218452"	284.917209333333	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+3H"	3.021828
"659230"	426.872176	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+3H"	3.021828
"1177353"	142.962242666667	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+3H"	3.021828
"438684"	869.763623	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+NH4"	18.033823
"800774"	1295.628523	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+NH4"	18.033823
"1695645"	443.898723	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+NH4"	18.033823
"344777"	435.3854495	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+H+NH4"	19.041099
"737442"	648.3178995	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+H+NH4"	19.041099
"1491863"	222.4529995	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H+NH4"	19.041099
"407749"	874.719018	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+Na"	22.989218
"768622"	1300.583918	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+Na"	22.989218
"1617573"	448.854118	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Na"	22.989218
"329067"	437.863147	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+H+Na"	23.996494
"720757"	650.795597	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+H+Na"	23.996494
"1472397"	224.930697	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H+Na"	23.996494
"1058714"	150.289556666667	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2H+Na"	25.00377
"1263671"	458.898386	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+CH3OH+H"	33.033486
"386621"	890.692958	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+K"	38.963158
"741052"	1316.557858	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+K"	38.963158
"1547482"	464.828058	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+K"	38.963158
"302473"	445.850117	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+H+K"	39.970434
"692341"	658.782567	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+H+K"	39.970434
"1445695"	232.917667	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H+K"	39.970434
"237315"	893.763626	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+ACN+H"	42.033826
"1213669"	467.898726	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+ACN+H"	42.033826
"1198646"	234.453001	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+ACN+2H"	43.041102
"191149"	896.70096	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+2Na-H"	44.97116
"629859"	1322.56586	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+2Na-H"	44.97116
"1134582"	470.83606	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2Na-H"	44.97116
"178971"	448.854118	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+2Na"	45.978436
"618896"	661.786568	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+2Na"	45.978436
"1122769"	235.921668	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2Na"	45.978436
"1406293"	157.616870666667	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H+2Na"	46.985712
"1435492"	472.877646	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H+HCOOH"	47.012746
"227012"	453.88714	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+3H2O+2H"	56.04448
"1517262"	486.92969	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+IsoProp+H"	61.06479
"419136"	456.841088	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+Na+K"	61.952376
"776123"	669.773538	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+Na+K"	61.952376
"1674277"	243.908638	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Na+K"	61.952376
"259703"	915.745568	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+ACN+Na"	64.015768
"1233869"	489.880668	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+ACN+Na"	64.015768
"1723484"	489.904193	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+NH4+HCOOH"	64.039293
"1189571"	164.944184666667	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+3Na"	68.967654
"1657644"	494.859588	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Na+HCOOH"	68.994688
"165965"	928.64884	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+2K-H"	76.91904
"601876"	1354.51374	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+2K-H"	76.91904
"1090766"	502.78394	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2K-H"	76.91904
"151592"	464.828058	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"2M+2K"	77.926316
"591152"	677.760508	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"3M+2K"	77.926316
"1074934"	251.895608	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2K"	77.926316
"1106689"	504.798492	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2K+H"	78.933592
"1339062"	504.886107	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+DMSO+H"	79.021207
"1007590"	508.925276	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2ACN+H"	83.060376
"1526806"	509.918908	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+IsoProp+Na+H"	84.054008
"990131"	254.966276	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+2ACN+2H"	84.067652
"1593224"	510.833528	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+K+HCOOH"	84.968628
"1419977"	540.865038	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+H+CF3COOH"	115.000138
"1156828"	275.479551	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+3ACN+2H"	125.094202
"1705286"	557.891585	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+NH4+CF3COOH"	132.026685
"1645311"	562.84698	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+Na+CF3COOH"	136.98208
"1579868"	578.82092	"C19003"	"Leptophos"	"C13H10BrCl2O3PS"	"425.8649"	"M+K+CF3COOH"	152.95602
"806954"	315.9775	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M"	0
"983768"	296.95911	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-H2O-H"	-19.01839
"63275"	209.644390666667	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M-3H"	-3.021828
"503915"	314.970224	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M-3H"	-3.021828
"881353"	104.318557333333	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-3H"	-3.021828
"657"	314.970224	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M-2H"	-2.014552
"442039"	472.958974	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M-2H"	-2.014552
"818741"	156.981474	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-2H"	-2.014552
"84211"	630.947724	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M-H"	-1.007276
"529608"	946.925224	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M-H"	-1.007276
"904855"	314.970224	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-H"	-1.007276
"52668"	647.974271	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M-2H+NH4"	16.019271
"492228"	963.951771	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M-2H+NH4"	16.019271
"871122"	331.996771	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-2H+NH4"	16.019271
"36838"	652.929666	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M-2H+Na"	20.974666
"477495"	968.907166	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M-2H+Na"	20.974666
"853109"	336.952166	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-2H+Na"	20.974666
"1623737"	336.952166	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Na-2H"	20.974666
"103550"	332.958563	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M-H+Cl"	33.962126
"537642"	490.947313	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M-H+Cl"	33.962126
"931156"	174.969813	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-H+Cl"	33.962126
"274088"	666.924402	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+Cl"	34.969402
"661406"	982.901902	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+Cl"	34.969402
"1273446"	350.946902	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Cl"	34.969402
"16492"	668.903606	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M-2H+K"	36.948606
"458483"	984.881106	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M-2H+K"	36.948606
"835553"	352.926106	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-2H+K"	36.948606
"1557584"	352.926106	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+K-2H"	36.948606
"948019"	360.975694	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-H+HCOOH"	44.998194
"367329"	676.953201	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+HCOOH-H"	44.998201
"349025"	690.968851	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+Hac-H"	59.013851
"1501141"	374.991351	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Hac-H"	59.013851
"969415"	382.957651	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-H+NaCOOH"	66.980151
"113584"	350.946902	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+2Cl"	69.938804
"555696"	508.935652	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+2Cl"	69.938804
"1030329"	192.958152	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2Cl"	69.938804
"1253921"	394.896385	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Br"	78.918885
"1319610"	396.952372	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Cl+HCOOH"	80.974872
"1332045"	418.934329	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Cl+NaCOOH"	102.956829
"926018"	428.963086	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M-H+CF3COOH"	112.985586
"1301998"	464.939764	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Cl+CF3COOH"	148.962264
"1381983"	280.964824	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H-2H2O"	-35.012676
"1397661"	298.9748	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H-H2O"	-17.0027
"298081"	632.962276	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+H"	1.007276
"691346"	948.939776	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+H"	1.007276
"1366376"	316.984776	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H"	1.007276
"141235"	316.984776	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+2H"	2.014552
"580289"	474.973526	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+2H"	2.014552
"1050545"	158.996026	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2H"	2.014552
"219178"	211.658942666667	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+3H"	3.021828
"658488"	316.984776	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+3H"	3.021828
"1177918"	106.333109333333	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+3H"	3.021828
"439833"	649.988823	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+NH4"	18.033823
"801128"	965.966323	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+NH4"	18.033823
"1696121"	334.011323	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+NH4"	18.033823
"344402"	325.4980495	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+H+NH4"	19.041099
"737186"	483.4867995	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+H+NH4"	19.041099
"1492594"	167.5092995	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H+NH4"	19.041099
"405667"	654.944218	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+Na"	22.989218
"766663"	970.921718	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+Na"	22.989218
"1617800"	338.966718	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Na"	22.989218
"327959"	327.975747	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+H+Na"	23.996494
"721231"	485.964497	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+H+Na"	23.996494
"1475304"	169.986997	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H+Na"	23.996494
"1067209"	113.660423333333	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2H+Na"	25.00377
"1269257"	349.010986	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+CH3OH+H"	33.033486
"390743"	670.918158	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+K"	38.963158
"746634"	986.895658	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+K"	38.963158
"1548687"	354.940658	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+K"	38.963158
"305864"	335.962717	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+H+K"	39.970434
"693182"	493.951467	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+H+K"	39.970434
"1453198"	177.973967	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H+K"	39.970434
"243986"	673.988826	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+ACN+H"	42.033826
"1213779"	358.011326	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+ACN+H"	42.033826
"1198756"	179.509301	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+ACN+2H"	43.041102
"191261"	676.92616	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+2Na-H"	44.97116
"630821"	992.90366	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+2Na-H"	44.97116
"1134693"	360.94866	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2Na-H"	44.97116
"178719"	338.966718	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+2Na"	45.978436
"618278"	496.955468	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+2Na"	45.978436
"1120326"	180.977968	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2Na"	45.978436
"1406403"	120.987737333333	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H+2Na"	46.985712
"1437425"	362.990246	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H+HCOOH"	47.012746
"229309"	343.99974	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+3H2O+2H"	56.04448
"1520652"	377.04229	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+IsoProp+H"	61.06479
"419246"	346.953688	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+Na+K"	61.952376
"781335"	504.942438	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+Na+K"	61.952376
"1677668"	188.964938	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Na+K"	61.952376
"262003"	695.970768	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+ACN+Na"	64.015768
"1237989"	379.993268	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+ACN+Na"	64.015768
"1723597"	380.016793	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+NH4+HCOOH"	64.039293
"1188950"	128.315051333333	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+3Na"	68.967654
"1659576"	384.972188	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Na+HCOOH"	68.994688
"166439"	708.87404	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+2K-H"	76.91904
"601986"	1024.85154	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+2K-H"	76.91904
"1089783"	392.89654	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2K-H"	76.91904
"150973"	354.940658	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"2M+2K"	77.926316
"591263"	512.929408	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"3M+2K"	77.926316
"1079418"	196.951908	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2K"	77.926316
"1108256"	394.911092	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2K+H"	78.933592
"1338443"	394.998707	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+DMSO+H"	79.021207
"1006361"	399.037876	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2ACN+H"	83.060376
"1528008"	400.031508	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+IsoProp+Na+H"	84.054008
"992271"	200.022576	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+2ACN+2H"	84.067652
"1593333"	400.946128	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+K+HCOOH"	84.968628
"1423369"	430.977638	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+H+CF3COOH"	115.000138
"1156939"	220.535851	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+3ACN+2H"	125.094202
"1708677"	448.004185	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+NH4+CF3COOH"	132.026685
"1642141"	452.95958	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+Na+CF3COOH"	136.98208
"1576698"	468.93352	"C19004"	"Lythidathion"	"C7H13N2O4PS3"	"315.9775"	"M+K+CF3COOH"	152.95602
"807064"	271.0102	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M"	0
"980596"	251.99181	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-H2O-H"	-19.01839
"64465"	179.666190666667	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M-3H"	-3.021828
"504024"	270.002924	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M-3H"	-3.021828
"880731"	89.3294573333333	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-3H"	-3.021828
"1253"	270.002924	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M-2H"	-2.014552
"441176"	405.508024	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M-2H"	-2.014552
"818488"	134.497824	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-2H"	-2.014552
"82133"	541.013124	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M-H"	-1.007276
"528258"	812.023324	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M-H"	-1.007276
"901685"	270.002924	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-H"	-1.007276
"51684"	558.039671	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M-2H+NH4"	16.019271
"490877"	829.049871	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M-2H+NH4"	16.019271
"867220"	287.029471	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-2H+NH4"	16.019271
"34031"	562.995066	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M-2H+Na"	20.974666
"476507"	834.005266	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M-2H+Na"	20.974666
"851389"	291.984866	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-2H+Na"	20.974666
"1623847"	291.984866	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Na-2H"	20.974666
"98192"	287.991263	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M-H+Cl"	33.962126
"537751"	423.496363	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M-H+Cl"	33.962126
"929443"	152.486163	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-H+Cl"	33.962126
"270187"	576.989802	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+Cl"	34.969402
"661148"	848.000002	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+Cl"	34.969402
"1275382"	305.979602	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Cl"	34.969402
"19397"	578.969006	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M-2H+K"	36.948606
"456516"	849.979206	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M-2H+K"	36.948606
"833841"	307.958806	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-2H+K"	36.948606
"1556601"	307.958806	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+K-2H"	36.948606
"945942"	316.008394	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-H+HCOOH"	44.998194
"365980"	587.018601	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+HCOOH-H"	44.998201
"349135"	601.034251	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+Hac-H"	59.013851
"1497241"	330.024051	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Hac-H"	59.013851
"970983"	337.990351	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-H+NaCOOH"	66.980151
"116609"	305.979602	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+2Cl"	69.938804
"554347"	441.484702	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+2Cl"	69.938804
"1028252"	170.474502	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2Cl"	69.938804
"1250021"	349.929085	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Br"	78.918885
"1313562"	351.985072	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Cl+HCOOH"	80.974872
"1332153"	373.967029	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Cl+NaCOOH"	102.956829
"926737"	383.995786	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M-H+CF3COOH"	112.985586
"1303203"	419.972464	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Cl+CF3COOH"	148.962264
"1380997"	235.997524	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H-2H2O"	-35.012676
"1396675"	254.0075	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H-H2O"	-17.0027
"297091"	543.027676	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+H"	1.007276
"687691"	814.037876	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+H"	1.007276
"1362946"	272.017476	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H"	1.007276
"140209"	272.017476	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+2H"	2.014552
"579790"	407.522576	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+2H"	2.014552
"1052470"	136.512376	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2H"	2.014552
"219289"	181.680742666667	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+3H"	3.021828
"659702"	272.017476	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+3H"	3.021828
"1178262"	91.3440093333333	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+3H"	3.021828
"439939"	560.054223	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+NH4"	18.033823
"801324"	831.064423	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+NH4"	18.033823
"1696842"	289.044023	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+NH4"	18.033823
"345242"	280.5307495	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+H+NH4"	19.041099
"738189"	416.0358495	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+H+NH4"	19.041099
"1491836"	145.0256495	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H+NH4"	19.041099
"404684"	565.009618	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+Na"	22.989218
"764587"	836.019818	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+Na"	22.989218
"1617059"	293.999418	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Na"	22.989218
"328190"	283.008447	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+H+Na"	23.996494
"722439"	418.513547	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+H+Na"	23.996494
"1475171"	147.503347	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H+Na"	23.996494
"1066715"	98.6713233333333	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2H+Na"	25.00377
"1270823"	304.043686	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+CH3OH+H"	33.033486
"387935"	580.983558	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+K"	38.963158
"751483"	851.993758	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+K"	38.963158
"1545517"	309.973358	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+K"	38.963158
"305974"	290.995417	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+H+K"	39.970434
"693292"	426.500517	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+H+K"	39.970434
"1453308"	155.490317	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H+K"	39.970434
"246283"	584.054226	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+ACN+H"	42.033826
"1213525"	313.044026	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+ACN+H"	42.033826
"1199595"	157.025651	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+ACN+2H"	43.041102
"190278"	586.99156	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+2Na-H"	44.97116
"630202"	858.00176	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+2Na-H"	44.97116
"1134803"	315.98136	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2Na-H"	44.97116
"179922"	293.999418	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+2Na"	45.978436
"616929"	429.504518	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+2Na"	45.978436
"1120801"	158.494318	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2Na"	45.978436
"1406513"	105.998637333333	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H+2Na"	46.985712
"1436441"	318.022946	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H+HCOOH"	47.012746
"228325"	299.03244	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+3H2O+2H"	56.04448
"1519668"	332.07499	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+IsoProp+H"	61.06479
"416075"	301.986388	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+Na+K"	61.952376
"782538"	437.491488	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+Na+K"	61.952376
"1678507"	166.481288	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Na+K"	61.952376
"265148"	606.036168	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+ACN+Na"	64.015768
"1238097"	335.025968	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+ACN+Na"	64.015768
"1725893"	335.049493	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+NH4+HCOOH"	64.039293
"1191248"	113.325951333333	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+3Na"	68.967654
"1660051"	340.004888	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Na+HCOOH"	68.994688
"166550"	618.93944	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+2K-H"	76.91904
"604285"	889.94964	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+2K-H"	76.91904
"1089893"	347.92924	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2K-H"	76.91904
"152177"	309.973358	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"2M+2K"	77.926316
"590279"	445.478458	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"3M+2K"	77.926316
"1076247"	174.468258	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2K"	77.926316
"1107273"	349.943792	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2K+H"	78.933592
"1338189"	350.031407	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+DMSO+H"	79.021207
"1006717"	354.070576	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2ACN+H"	83.060376
"1525080"	355.064208	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+IsoProp+Na+H"	84.054008
"991287"	177.538926	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+2ACN+2H"	84.067652
"1592350"	355.978828	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+K+HCOOH"	84.968628
"1420198"	386.010338	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+H+CF3COOH"	115.000138
"1155956"	198.052201	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+3ACN+2H"	125.094202
"1707693"	403.036885	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+NH4+CF3COOH"	132.026685
"1642251"	407.99228	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+Na+CF3COOH"	136.98208
"1576808"	423.96622	"C19005"	"Mecarphon"	"C7H14NO4PS2"	"271.0102"	"M+K+CF3COOH"	152.95602
"807174"	281.017	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M"	0
"980706"	261.99861	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-H2O-H"	-19.01839
"65668"	186.337390666667	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M-3H"	-3.021828
"504255"	280.009724	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M-3H"	-3.021828
"880479"	92.6650573333333	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-3H"	-3.021828
"1241"	280.009724	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M-2H"	-2.014552
"440034"	420.518224	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M-2H"	-2.014552
"818968"	139.501224	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-2H"	-2.014552
"78640"	561.026724	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M-H"	-1.007276
"523625"	842.043724	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M-H"	-1.007276
"902888"	280.009724	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-H"	-1.007276
"50700"	578.053271	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M-2H+NH4"	16.019271
"490623"	859.070271	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M-2H+NH4"	16.019271
"870249"	297.036271	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-2H+NH4"	16.019271
"38151"	583.008666	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M-2H+Na"	20.974666
"480991"	864.025666	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M-2H+Na"	20.974666
"852231"	301.991666	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-2H+Na"	20.974666
"1623957"	301.991666	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Na-2H"	20.974666
"99396"	297.998063	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M-H+Cl"	33.962126
"536768"	438.506563	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M-H+Cl"	33.962126
"931375"	157.489563	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-H+Cl"	33.962126
"268474"	597.003402	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+Cl"	34.969402
"660528"	878.020402	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+Cl"	34.969402
"1273423"	315.986402	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Cl"	34.969402
"17684"	598.982606	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M-2H+K"	36.948606
"456019"	879.999606	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M-2H+K"	36.948606
"833214"	317.965606	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-2H+K"	36.948606
"1556707"	317.965606	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+K-2H"	36.948606
"943857"	326.015194	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-H+HCOOH"	44.998194
"364996"	607.032201	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+HCOOH-H"	44.998201
"349245"	621.047851	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+Hac-H"	59.013851
"1497715"	340.030851	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Hac-H"	59.013851
"967812"	347.997151	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-H+NaCOOH"	66.980151
"118903"	315.986402	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+2Cl"	69.938804
"553361"	456.494902	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+2Cl"	69.938804
"1025082"	175.477902	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2Cl"	69.938804
"1251220"	359.935885	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Br"	78.918885
"1318047"	361.991872	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Cl+HCOOH"	80.974872
"1332262"	383.973829	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Cl+NaCOOH"	102.956829
"924779"	394.002586	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M-H+CF3COOH"	112.985586
"1302950"	429.979264	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Cl+CF3COOH"	148.962264
"1381107"	246.004324	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H-2H2O"	-35.012676
"1396421"	264.0143	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H-H2O"	-17.0027
"296837"	563.041276	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+H"	1.007276
"687801"	844.058276	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+H"	1.007276
"1363056"	282.024276	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H"	1.007276
"140319"	282.024276	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+2H"	2.014552
"580143"	422.532776	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+2H"	2.014552
"1052579"	141.515776	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2H"	2.014552
"219897"	188.351942666667	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+3H"	3.021828
"659811"	282.024276	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+3H"	3.021828
"1177805"	94.6796093333333	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+3H"	3.021828
"439864"	580.067823	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+NH4"	18.033823
"801146"	861.084823	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+NH4"	18.033823
"1696952"	299.050823	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+NH4"	18.033823
"345267"	290.5375495	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+H+NH4"	19.041099
"737767"	431.0460495	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+H+NH4"	19.041099
"1490126"	150.0290495	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H+NH4"	19.041099
"406253"	585.023218	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+Na"	22.989218
"766883"	866.040218	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+Na"	22.989218
"1617814"	304.006218	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Na"	22.989218
"327938"	293.015247	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+H+Na"	23.996494
"721818"	433.523747	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+H+Na"	23.996494
"1475521"	152.506747	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H+Na"	23.996494
"1067914"	102.006923333333	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2H+Na"	25.00377
"1268746"	314.050486	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+CH3OH+H"	33.033486
"390238"	600.997158	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+K"	38.963158
"749041"	882.014158	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+K"	38.963158
"1545627"	319.980158	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+K"	38.963158
"308271"	301.002217	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+H+K"	39.970434
"700693"	441.510717	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+H+K"	39.970434
"1454512"	160.493717	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H+K"	39.970434
"242019"	604.067826	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+ACN+H"	42.033826
"1216915"	323.050826	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+ACN+H"	42.033826
"1197519"	162.029051	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+ACN+2H"	43.041102
"190630"	607.00516	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+2Na-H"	44.97116
"629824"	888.02216	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+2Na-H"	44.97116
"1133453"	325.98816	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2Na-H"	44.97116
"178939"	304.006218	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+2Na"	45.978436
"616311"	444.514718	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+2Na"	45.978436
"1123097"	163.497718	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2Na"	45.978436
"1404800"	109.334237333333	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H+2Na"	46.985712
"1433999"	328.029746	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H+HCOOH"	47.012746
"227342"	309.03924	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+3H2O+2H"	56.04448
"1516497"	342.08179	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+IsoProp+H"	61.06479
"416186"	311.993188	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+Na+K"	61.952376
"780462"	452.501688	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+Na+K"	61.952376
"1677888"	171.484688	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Na+K"	61.952376
"264407"	626.049768	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+ACN+Na"	64.015768
"1238207"	345.032768	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+ACN+Na"	64.015768
"1723452"	345.056293	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+NH4+HCOOH"	64.039293
"1189900"	116.661551333333	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+3Na"	68.967654
"1661252"	350.011688	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Na+HCOOH"	68.994688
"168480"	638.95304	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+2K-H"	76.91904
"600749"	919.97004	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+2K-H"	76.91904
"1090002"	357.93604	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2K-H"	76.91904
"153380"	319.980158	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"2M+2K"	77.926316
"590753"	460.488658	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"3M+2K"	77.926316
"1073077"	179.471658	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2K"	77.926316
"1107381"	359.950592	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2K+H"	78.933592
"1336593"	360.038207	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+DMSO+H"	79.021207
"1006207"	364.077376	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2ACN+H"	83.060376
"1524824"	365.071008	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+IsoProp+Na+H"	84.054008
"992491"	182.542326	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+2ACN+2H"	84.067652
"1591367"	365.985628	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+K+HCOOH"	84.968628
"1422495"	396.017138	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+H+CF3COOH"	115.000138
"1157159"	203.055601	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+3ACN+2H"	125.094202
"1705616"	413.043685	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+NH4+CF3COOH"	132.026685
"1639081"	417.99908	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+Na+CF3COOH"	136.98208
"1580198"	433.97302	"C19006"	"Menazon"	"C6H12N5O2PS2"	"281.017"	"M+K+CF3COOH"	152.95602
"807284"	269.0309	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M"	0
"980816"	250.01251	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-H2O-H"	-19.01839
"63592"	178.346657333333	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M-3H"	-3.021828
"504244"	268.023624	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M-3H"	-3.021828
"880589"	88.6696906666667	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-3H"	-3.021828
"1351"	268.023624	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M-2H"	-2.014552
"439986"	402.539074	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M-2H"	-2.014552
"819078"	133.508174	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-2H"	-2.014552
"80161"	537.054524	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M-H"	-1.007276
"522642"	806.085424	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M-H"	-1.007276
"898624"	268.023624	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-H"	-1.007276
"49716"	554.081071	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M-2H+NH4"	16.019271
"488182"	823.111971	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M-2H+NH4"	16.019271
"867078"	285.050171	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-2H+NH4"	16.019271
"37167"	559.036466	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M-2H+Na"	20.974666
"473444"	828.067366	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M-2H+Na"	20.974666
"850154"	290.005566	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-2H+Na"	20.974666
"1620787"	290.005566	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Na-2H"	20.974666
"99506"	286.011963	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M-H+Cl"	33.962126
"537971"	420.527413	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M-H+Cl"	33.962126
"929663"	151.496513	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-H+Cl"	33.962126
"268584"	573.031202	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+Cl"	34.969402
"660149"	842.062102	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+Cl"	34.969402
"1273115"	304.000302	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Cl"	34.969402
"17065"	575.010406	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M-2H+K"	36.948606
"456045"	844.041306	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M-2H+K"	36.948606
"832958"	305.979506	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-2H+K"	36.948606
"1555967"	305.979506	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+K-2H"	36.948606
"944335"	314.029094	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-H+HCOOH"	44.998194
"365834"	583.060001	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+HCOOH-H"	44.998201
"348626"	597.075651	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+Hac-H"	59.013851
"1496732"	328.044751	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Hac-H"	59.013851
"967922"	336.011051	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-H+NaCOOH"	66.980151
"114641"	304.000302	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+2Cl"	69.938804
"553470"	438.515752	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+2Cl"	69.938804
"1025192"	169.484852	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2Cl"	69.938804
"1252423"	347.949785	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Br"	78.918885
"1317063"	350.005772	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Cl+HCOOH"	80.974872
"1331279"	371.987729	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Cl+NaCOOH"	102.956829
"925253"	382.016486	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M-H+CF3COOH"	112.985586
"1303994"	417.993164	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Cl+CF3COOH"	148.962264
"1380489"	234.018224	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H-2H2O"	-35.012676
"1395802"	252.0282	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H-H2O"	-17.0027
"297311"	539.069076	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+H"	1.007276
"688640"	808.099976	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+H"	1.007276
"1363166"	270.038176	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H"	1.007276
"140065"	270.038176	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+2H"	2.014552
"580375"	404.553626	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+2H"	2.014552
"1052678"	135.522726	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2H"	2.014552
"219627"	180.361209333333	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+3H"	3.021828
"659793"	270.038176	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+3H"	3.021828
"1177302"	90.6842426666667	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+3H"	3.021828
"439604"	556.095623	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+NH4"	18.033823
"800844"	825.126523	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+NH4"	18.033823
"1696823"	287.064723	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+NH4"	18.033823
"345469"	278.5514495	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+H+NH4"	19.041099
"738461"	413.0668995	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+H+NH4"	19.041099
"1491328"	144.0359995	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H+NH4"	19.041099
"407456"	561.051018	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+Na"	22.989218
"766993"	830.081918	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+Na"	22.989218
"1616182"	292.020118	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Na"	22.989218
"325129"	281.029147	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+H+Na"	23.996494
"721562"	415.544597	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+H+Na"	23.996494
"1476401"	146.513697	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H+Na"	23.996494
"1068025"	98.0115566666666	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2H+Na"	25.00377
"1271770"	302.064386	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+CH3OH+H"	33.033486
"391074"	577.024958	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+K"	38.963158
"750244"	846.055858	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+K"	38.963158
"1545737"	307.994058	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+K"	38.963158
"309474"	289.016117	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+H+K"	39.970434
"701895"	423.531567	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+H+K"	39.970434
"1454622"	154.500667	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H+K"	39.970434
"242129"	580.095626	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+ACN+H"	42.033826
"1217025"	311.064726	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+ACN+H"	42.033826
"1197993"	156.036001	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+ACN+2H"	43.041102
"190495"	583.03296	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+2Na-H"	44.97116
"631149"	852.06386	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+2Na-H"	44.97116
"1131858"	314.00206	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2Na-H"	44.97116
"179049"	292.020118	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+2Na"	45.978436
"616418"	426.535568	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+2Na"	45.978436
"1119927"	157.504668	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2Na"	45.978436
"1404910"	105.338870666667	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H+2Na"	46.985712
"1433745"	316.043646	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H+HCOOH"	47.012746
"225265"	297.05314	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+3H2O+2H"	56.04448
"1516607"	330.09569	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+IsoProp+H"	61.06479
"416296"	300.007088	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+Na+K"	61.952376
"780572"	434.522538	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+Na+K"	61.952376
"1679091"	165.491638	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Na+K"	61.952376
"266703"	602.077568	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+ACN+Na"	64.015768
"1237224"	333.046668	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+ACN+Na"	64.015768
"1726841"	333.070193	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+NH4+HCOOH"	64.039293
"1192196"	112.666184666667	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+3Na"	68.967654
"1661362"	338.025588	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Na+HCOOH"	68.994688
"167133"	614.98084	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+2K-H"	76.91904
"604504"	884.01174	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+2K-H"	76.91904
"1091205"	345.94994	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2K-H"	76.91904
"153855"	307.994058	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"2M+2K"	77.926316
"589770"	442.509508	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"3M+2K"	77.926316
"1073187"	173.478608	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2K"	77.926316
"1107491"	347.964492	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2K+H"	78.933592
"1336339"	348.052107	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+DMSO+H"	79.021207
"1006199"	352.091276	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2ACN+H"	83.060376
"1524485"	353.084908	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+IsoProp+Na+H"	84.054008
"990652"	176.549276	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+2ACN+2H"	84.067652
"1590382"	353.999528	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+K+HCOOH"	84.968628
"1418232"	384.031038	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+H+CF3COOH"	115.000138
"1157269"	197.062551	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+3ACN+2H"	125.094202
"1704633"	401.057585	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+NH4+CF3COOH"	132.026685
"1639191"	406.01298	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+Na+CF3COOH"	136.98208
"1580308"	421.98692	"C19007"	"Mephosfolan"	"C8H16NO3PS2"	"269.0309"	"M+K+CF3COOH"	152.95602
"807394"	182.0984	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M"	0
"980926"	163.08001	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-H2O-H"	-19.01839
"63703"	120.391657333333	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M-3H"	-3.021828
"503382"	181.091124	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M-3H"	-3.021828
"881063"	59.6921906666667	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-3H"	-3.021828
"1826"	181.091124	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M-2H"	-2.014552
"440367"	272.140324	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M-2H"	-2.014552
"819188"	90.041924	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-2H"	-2.014552
"79175"	363.189524	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M-H"	-1.007276
"518740"	545.287924	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M-H"	-1.007276
"896422"	181.091124	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-H"	-1.007276
"47394"	380.216071	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M-2H+NH4"	16.019271
"487805"	562.314471	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M-2H+NH4"	16.019271
"866095"	198.117671	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-2H+NH4"	16.019271
"37277"	385.171466	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M-2H+Na"	20.974666
"471651"	567.269866	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M-2H+Na"	20.974666
"852451"	203.073066	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-2H+Na"	20.974666
"1619439"	203.073066	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Na-2H"	20.974666
"95605"	199.079463	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M-H+Cl"	33.962126
"538081"	290.128663	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M-H+Cl"	33.962126
"927868"	108.030263	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-H+Cl"	33.962126
"267185"	399.166202	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+Cl"	34.969402
"662940"	581.264602	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+Cl"	34.969402
"1272766"	217.067802	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Cl"	34.969402
"16928"	401.145406	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M-2H+K"	36.948606
"455691"	583.243806	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M-2H+K"	36.948606
"833923"	219.047006	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-2H+K"	36.948606
"1555995"	219.047006	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+K-2H"	36.948606
"942871"	227.096594	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-H+HCOOH"	44.998194
"363757"	409.195001	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+HCOOH-H"	44.998201
"348368"	423.210651	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+Hac-H"	59.013851
"1496113"	241.112251	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Hac-H"	59.013851
"961832"	249.078551	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-H+NaCOOH"	66.980151
"114019"	217.067802	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+2Cl"	69.938804
"550295"	308.117002	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+2Cl"	69.938804
"1025301"	126.018602	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2Cl"	69.938804
"1246701"	261.017285	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Br"	78.918885
"1312796"	263.073272	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Cl+HCOOH"	80.974872
"1325918"	285.055229	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Cl+NaCOOH"	102.956829
"925363"	295.083986	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M-H+CF3COOH"	112.985586
"1303535"	331.060664	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Cl+CF3COOH"	148.962264
"1380963"	147.085724	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H-2H2O"	-35.012676
"1395912"	165.0957	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H-H2O"	-17.0027
"295599"	365.204076	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+H"	1.007276
"688021"	547.302476	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+H"	1.007276
"1362183"	183.105676	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H"	1.007276
"139811"	183.105676	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+2H"	2.014552
"580592"	274.154876	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+2H"	2.014552
"1051458"	92.056476	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2H"	2.014552
"218880"	122.406209333333	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+3H"	3.021828
"658926"	183.105676	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+3H"	3.021828
"1175588"	61.7067426666667	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+3H"	3.021828
"439106"	382.230623	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+NH4"	18.033823
"799856"	564.329023	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+NH4"	18.033823
"1695707"	200.132223	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+NH4"	18.033823
"344714"	191.6189495	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+H+NH4"	19.041099
"736891"	282.6681495	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+H+NH4"	19.041099
"1489614"	100.5697495	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H+NH4"	19.041099
"404651"	387.186018	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+Na"	22.989218
"766008"	569.284418	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+Na"	22.989218
"1615198"	205.087618	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Na"	22.989218
"320864"	194.096647	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+H+Na"	23.996494
"717663"	285.145847	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+H+Na"	23.996494
"1474404"	103.047447	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H+Na"	23.996494
"1065828"	69.0340566666667	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2H+Na"	25.00377
"1267873"	215.131886	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+CH3OH+H"	33.033486
"389727"	403.159958	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+K"	38.963158
"747074"	585.258358	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+K"	38.963158
"1543295"	221.061558	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+K"	38.963158
"305210"	202.083617	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+H+K"	39.970434
"696537"	293.132817	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+H+K"	39.970434
"1450358"	111.034417	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H+K"	39.970434
"236163"	406.230626	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+ACN+H"	42.033826
"1210817"	224.132226	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+ACN+H"	42.033826
"1197739"	112.569751	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+ACN+2H"	43.041102
"190240"	409.16796	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+2Na-H"	44.97116
"629800"	591.26636	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+2Na-H"	44.97116
"1131604"	227.06956	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2Na-H"	44.97116
"180252"	205.087618	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+2Na"	45.978436
"614708"	296.136818	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+2Na"	45.978436
"1117850"	114.038418	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2Na"	45.978436
"1404656"	76.3613706666667	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H+2Na"	46.985712
"1434948"	229.111146	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H+HCOOH"	47.012746
"227561"	210.12064	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+3H2O+2H"	56.04448
"1514530"	243.16319	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+IsoProp+H"	61.06479
"416405"	213.074588	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+Na+K"	61.952376
"778495"	304.123788	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+Na+K"	61.952376
"1677015"	122.025388	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Na+K"	61.952376
"263533"	428.212568	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+ACN+Na"	64.015768
"1238427"	246.114168	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+ACN+Na"	64.015768
"1725128"	246.137693	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+NH4+HCOOH"	64.039293
"1189390"	83.6886846666667	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+3Na"	68.967654
"1660379"	251.093088	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Na+HCOOH"	68.994688
"168335"	441.11584	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+2K-H"	76.91904
"601334"	623.21424	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+2K-H"	76.91904
"1091315"	259.01744	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2K-H"	76.91904
"151414"	221.061558	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"2M+2K"	77.926316
"588787"	312.110758	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"3M+2K"	77.926316
"1073297"	130.012358	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2K"	77.926316
"1106508"	261.031992	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2K+H"	78.933592
"1336328"	261.119607	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+DMSO+H"	79.021207
"1005766"	265.158776	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2ACN+H"	83.060376
"1524201"	266.152408	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+IsoProp+Na+H"	84.054008
"990003"	133.083026	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+2ACN+2H"	84.067652
"1588548"	267.067028	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+K+HCOOH"	84.968628
"1417249"	297.098538	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+H+CF3COOH"	115.000138
"1157379"	153.596301	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+3ACN+2H"	125.094202
"1704743"	314.125085	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+NH4+CF3COOH"	132.026685
"1639301"	319.08048	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+Na+CF3COOH"	136.98208
"1580418"	335.05442	"C19008"	"Mipafox"	"C6H16FN2OP"	"182.0984"	"M+K+CF3COOH"	152.95602
"807504"	290.0234	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M"	0
"981036"	271.00501	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-H2O-H"	-19.01839
"64541"	192.341657333333	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M-3H"	-3.021828
"505558"	289.016124	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M-3H"	-3.021828
"881537"	95.6671906666667	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-3H"	-3.021828
"2300"	289.016124	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M-2H"	-2.014552
"442587"	434.027824	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M-2H"	-2.014552
"820391"	144.004424	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-2H"	-2.014552
"82567"	579.039524	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M-H"	-1.007276
"519578"	869.062924	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M-H"	-1.007276
"896532"	289.016124	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-H"	-1.007276
"48351"	596.066071	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M-2H+NH4"	16.019271
"488398"	886.089471	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M-2H+NH4"	16.019271
"866205"	306.042671	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-2H+NH4"	16.019271
"32766"	601.021466	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M-2H+Na"	20.974666
"472572"	891.044866	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M-2H+Na"	20.974666
"852561"	310.998066	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-2H+Na"	20.974666
"1622100"	310.998066	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Na-2H"	20.974666
"97537"	307.004463	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M-H+Cl"	33.962126
"539284"	452.016163	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M-H+Cl"	33.962126
"928789"	161.992763	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-H+Cl"	33.962126
"268073"	615.016202	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+Cl"	34.969402
"664143"	905.039602	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+Cl"	34.969402
"1273264"	324.992802	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Cl"	34.969402
"17647"	616.995406	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M-2H+K"	36.948606
"457207"	907.018806	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M-2H+K"	36.948606
"833304"	326.972006	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-2H+K"	36.948606
"1557768"	326.972006	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+K-2H"	36.948606
"943092"	335.021594	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-H+HCOOH"	44.998194
"362038"	625.045001	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+HCOOH-H"	44.998201
"348114"	639.060651	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+Hac-H"	59.013851
"1495128"	349.037251	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Hac-H"	59.013851
"961574"	357.003551	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-H+NaCOOH"	66.980151
"110237"	324.992802	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+2Cl"	69.938804
"550524"	470.004502	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+2Cl"	69.938804
"1022125"	179.981102	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2Cl"	69.938804
"1241497"	368.942285	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Br"	78.918885
"1308529"	370.998272	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Cl+HCOOH"	80.974872
"1324204"	392.980229	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Cl+NaCOOH"	102.956829
"918182"	403.008986	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M-H+CF3COOH"	112.985586
"1303970"	438.985664	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Cl+CF3COOH"	148.962264
"1380587"	255.010724	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H-2H2O"	-35.012676
"1391647"	273.0207	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H-H2O"	-17.0027
"292427"	581.054076	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+H"	1.007276
"690317"	871.077476	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+H"	1.007276
"1363386"	291.030676	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H"	1.007276
"134087"	291.030676	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+2H"	2.014552
"579849"	436.042376	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+2H"	2.014552
"1051197"	146.018976	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2H"	2.014552
"219678"	194.356209333333	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+3H"	3.021828
"659917"	291.030676	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+3H"	3.021828
"1177399"	97.6817426666667	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+3H"	3.021828
"439337"	598.080623	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+NH4"	18.033823
"799965"	888.104023	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+NH4"	18.033823
"1696628"	308.057223	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+NH4"	18.033823
"345269"	299.5439495	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+H+NH4"	19.041099
"738093"	444.5556495	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+H+NH4"	19.041099
"1491543"	154.5322495	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H+NH4"	19.041099
"407186"	603.036018	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+Na"	22.989218
"768792"	893.059418	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+Na"	22.989218
"1617254"	313.012618	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Na"	22.989218
"324250"	302.021647	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+H+Na"	23.996494
"717773"	447.033347	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+H+Na"	23.996494
"1475603"	157.009947	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H+Na"	23.996494
"1067025"	105.009056666667	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2H+Na"	25.00377
"1269799"	323.056886	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+CH3OH+H"	33.033486
"389833"	619.009958	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+K"	38.963158
"747182"	909.033358	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+K"	38.963158
"1543768"	328.986558	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+K"	38.963158
"304225"	310.008617	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+H+K"	39.970434
"697740"	455.020317	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+H+K"	39.970434
"1449373"	164.996917	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H+K"	39.970434
"236882"	622.080626	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+ACN+H"	42.033826
"1211413"	332.057226	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+ACN+H"	42.033826
"1194930"	166.532251	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+ACN+2H"	43.041102
"189132"	625.01796	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+2Na-H"	44.97116
"629059"	915.04136	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+2Na-H"	44.97116
"1131950"	334.99456	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2Na-H"	44.97116
"175256"	313.012618	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+2Na"	45.978436
"614812"	458.024318	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+2Na"	45.978436
"1119053"	168.000918	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2Na"	45.978436
"1402940"	112.336370666667	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H+2Na"	46.985712
"1436880"	337.036146	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H+HCOOH"	47.012746
"228762"	318.04564	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+3H2O+2H"	56.04448
"1516824"	351.08819	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+IsoProp+H"	61.06479
"414329"	320.999588	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+Na+K"	61.952376
"777512"	466.011288	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+Na+K"	61.952376
"1670564"	175.987888	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Na+K"	61.952376
"259268"	644.062568	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+ACN+Na"	64.015768
"1231976"	354.039168	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+ACN+Na"	64.015768
"1720864"	354.062693	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+NH4+HCOOH"	64.039293
"1185126"	119.663684666667	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+3Na"	68.967654
"1657210"	359.018088	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Na+HCOOH"	68.994688
"161885"	656.96584	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+2K-H"	76.91904
"598526"	946.98924	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+2K-H"	76.91904
"1089239"	366.94244	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2K-H"	76.91904
"146055"	328.986558	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"2M+2K"	77.926316
"585253"	473.998258	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"3M+2K"	77.926316
"1071220"	183.974858	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2K"	77.926316
"1103337"	368.956992	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2K+H"	78.933592
"1336318"	369.044607	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+DMSO+H"	79.021207
"1006293"	373.083776	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2ACN+H"	83.060376
"1524784"	374.077408	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+IsoProp+Na+H"	84.054008
"990112"	187.045526	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+2ACN+2H"	84.067652
"1589510"	374.992028	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+K+HCOOH"	84.968628
"1415047"	405.023538	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+H+CF3COOH"	115.000138
"1147645"	207.558801	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+3ACN+2H"	125.094202
"1698291"	422.050085	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+NH4+CF3COOH"	132.026685
"1639410"	427.00548	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+Na+CF3COOH"	136.98208
"1578341"	442.97942	"C19009"	"Oxydisulfoton"	"C8H19O3PS3"	"290.0234"	"M+K+CF3COOH"	152.95602
"813081"	375.9349	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M"	0
"988800"	356.91651	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-H2O-H"	-19.01839
"67204"	249.615990666667	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M-3H"	-3.021828
"506762"	374.927624	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M-3H"	-3.021828
"883474"	124.304357333333	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-3H"	-3.021828
"2047"	374.927624	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M-2H"	-2.014552
"447075"	562.895074	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M-2H"	-2.014552
"824875"	186.960174	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-2H"	-2.014552
"79518"	750.862524	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M-H"	-1.007276
"524431"	1126.797424	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M-H"	-1.007276
"902234"	374.927624	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-H"	-1.007276
"48589"	767.889071	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M-2H+NH4"	16.019271
"487538"	1143.823971	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M-2H+NH4"	16.019271
"869595"	391.954171	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-2H+NH4"	16.019271
"34216"	772.844466	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M-2H+Na"	20.974666
"472682"	1148.779366	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M-2H+Na"	20.974666
"853764"	396.909566	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-2H+Na"	20.974666
"1621116"	396.909566	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Na-2H"	20.974666
"100928"	392.915963	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M-H+Cl"	33.962126
"538301"	580.883413	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M-H+Cl"	33.962126
"928656"	204.948513	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-H+Cl"	33.962126
"267453"	786.839202	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+Cl"	34.969402
"662066"	1162.774102	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+Cl"	34.969402
"1275564"	410.904302	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Cl"	34.969402
"24683"	788.818406	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M-2H+K"	36.948606
"458777"	1164.753306	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M-2H+K"	36.948606
"835850"	412.883506	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-2H+K"	36.948606
"1559700"	412.883506	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+K-2H"	36.948606
"945760"	420.933094	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-H+HCOOH"	44.998194
"363611"	796.868001	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+HCOOH-H"	44.998201
"348952"	810.883651	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+Hac-H"	59.013851
"1494872"	434.948751	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Hac-H"	59.013851
"959375"	442.915051	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-H+NaCOOH"	66.980151
"114242"	410.904302	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+2Cl"	69.938804
"554533"	598.871752	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+2Cl"	69.938804
"1024425"	222.936852	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2Cl"	69.938804
"1244732"	454.853785	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Br"	78.918885
"1309735"	456.909772	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Cl+HCOOH"	80.974872
"1330514"	478.891729	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Cl+NaCOOH"	102.956829
"918292"	488.920486	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M-H+CF3COOH"	112.985586
"1303153"	524.897164	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Cl+CF3COOH"	148.962264
"1382610"	340.922224	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H-2H2O"	-35.012676
"1397953"	358.9322	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H-H2O"	-17.0027
"295817"	752.877076	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+H"	1.007276
"689333"	1128.811976	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+H"	1.007276
"1365682"	376.942176	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H"	1.007276
"136383"	376.942176	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+2H"	2.014552
"580325"	564.909626	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+2H"	2.014552
"1050213"	188.974726	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2H"	2.014552
"219215"	251.630542666667	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+3H"	3.021828
"659851"	376.942176	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+3H"	3.021828
"1174716"	126.318909333333	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+3H"	3.021828
"439083"	769.903623	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+NH4"	18.033823
"799712"	1145.838523	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+NH4"	18.033823
"1696368"	393.968723	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+NH4"	18.033823
"344687"	385.4554495	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+H+NH4"	19.041099
"737108"	573.4228995	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+H+NH4"	19.041099
"1491655"	197.4879995	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H+NH4"	19.041099
"407416"	774.859018	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+Na"	22.989218
"768418"	1150.793918	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+Na"	22.989218
"1616511"	398.924118	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Na"	22.989218
"329827"	387.933147	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+H+Na"	23.996494
"720070"	575.900597	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+H+Na"	23.996494
"1474621"	199.965697	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H+Na"	23.996494
"1063495"	133.646223333333	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2H+Na"	25.00377
"1267724"	408.968386	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+CH3OH+H"	33.033486
"388487"	790.832958	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+K"	38.963158
"746200"	1166.767858	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+K"	38.963158
"1542784"	414.898058	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+K"	38.963158
"305428"	395.920117	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+H+K"	39.970434
"697849"	583.887567	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+H+K"	39.970434
"1450576"	207.952667	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H+K"	39.970434
"241365"	793.903626	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+ACN+H"	42.033826
"1214075"	417.968726	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+ACN+H"	42.033826
"1196134"	209.488001	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+ACN+2H"	43.041102
"191557"	796.84096	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+2Na-H"	44.97116
"636949"	1172.77586	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+2Na-H"	44.97116
"1137539"	420.90606	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2Na-H"	44.97116
"177546"	398.924118	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+2Na"	45.978436
"613822"	586.891568	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+2Na"	45.978436
"1115787"	210.956668	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2Na"	45.978436
"1403778"	140.973537333333	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H+2Na"	46.985712
"1435896"	422.947646	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H+HCOOH"	47.012746
"223403"	403.95714	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+3H2O+2H"	56.04448
"1514747"	436.99969	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+IsoProp+H"	61.06479
"415532"	406.911088	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+Na+K"	61.952376
"777622"	594.878538	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+Na+K"	61.952376
"1670674"	218.943638	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Na+K"	61.952376
"260471"	815.885568	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+ACN+Na"	64.015768
"1235733"	439.950668	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+ACN+Na"	64.015768
"1722067"	439.974193	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+NH4+HCOOH"	64.039293
"1188151"	148.300851333333	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+3Na"	68.967654
"1654037"	444.929588	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Na+HCOOH"	68.994688
"159079"	828.78884	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+2K-H"	76.91904
"597491"	1204.72374	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+2K-H"	76.91904
"1084363"	452.85394	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2K-H"	76.91904
"147258"	414.898058	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"2M+2K"	77.926316
"586456"	602.865508	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"3M+2K"	77.926316
"1068886"	226.930608	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2K"	77.926316
"1102353"	454.868492	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2K+H"	78.933592
"1336428"	454.956107	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+DMSO+H"	79.021207
"1006040"	458.995276	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2ACN+H"	83.060376
"1525143"	459.988908	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+IsoProp+Na+H"	84.054008
"990619"	230.001276	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+2ACN+2H"	84.067652
"1587673"	460.903528	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+K+HCOOH"	84.968628
"1415278"	490.935038	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+H+CF3COOH"	115.000138
"1149942"	250.514551	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+3ACN+2H"	125.094202
"1699494"	507.961585	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+NH4+CF3COOH"	132.026685
"1636240"	512.91698	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+Na+CF3COOH"	136.98208
"1578451"	528.89092	"C19010"	"Phenkapton"	"C11H15Cl2O2PS3"	"375.9349"	"M+K+CF3COOH"	152.95602
"807724"	255.0153	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M"	0
"981256"	235.99691	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-H2O-H"	-19.01839
"64033"	169.002924	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M-3H"	-3.021828
"503349"	254.008024	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M-3H"	-3.021828
"880667"	83.997824	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-3H"	-3.021828
"2159"	254.008024	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M-2H"	-2.014552
"440988"	381.515674	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M-2H"	-2.014552
"824985"	126.500374	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-2H"	-2.014552
"79261"	509.023324	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M-H"	-1.007276
"523448"	764.038624	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M-H"	-1.007276
"902344"	254.008024	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-H"	-1.007276
"48213"	526.049871	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M-2H+NH4"	16.019271
"487324"	781.065171	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M-2H+NH4"	16.019271
"869705"	271.034571	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-2H+NH4"	16.019271
"34326"	531.005266	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M-2H+Na"	20.974666
"473885"	786.020566	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M-2H+Na"	20.974666
"852781"	275.989966	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-2H+Na"	20.974666
"1620497"	275.989966	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Na-2H"	20.974666
"101039"	271.996363	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M-H+Cl"	33.962126
"537318"	399.504013	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M-H+Cl"	33.962126
"927220"	144.488713	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-H+Cl"	33.962126
"267439"	545.000002	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+Cl"	34.969402
"661568"	800.015302	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+Cl"	34.969402
"1275674"	289.984702	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Cl"	34.969402
"24429"	546.979206	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M-2H+K"	36.948606
"462902"	801.994506	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M-2H+K"	36.948606
"835596"	291.963906	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-2H+K"	36.948606
"1558353"	291.963906	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+K-2H"	36.948606
"946235"	300.013494	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-H+HCOOH"	44.998194
"363357"	555.028801	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+HCOOH-H"	44.998201
"348333"	569.044451	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+Hac-H"	59.013851
"1496809"	314.029151	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Hac-H"	59.013851
"961799"	321.995451	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-H+NaCOOH"	66.980151
"113988"	289.984702	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+2Cl"	69.938804
"553552"	417.492352	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+2Cl"	69.938804
"1024902"	162.477052	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2Cl"	69.938804
"1244115"	333.934185	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Br"	78.918885
"1309845"	335.990172	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Cl+HCOOH"	80.974872
"1326251"	357.972129	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Cl+NaCOOH"	102.956829
"915850"	368.000886	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M-H+CF3COOH"	112.985586
"1303254"	403.977564	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Cl+CF3COOH"	148.962264
"1382509"	220.002624	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H-2H2O"	-35.012676
"1387493"	238.0126	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H-H2O"	-17.0027
"287180"	511.037876	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+H"	1.007276
"683976"	766.053176	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+H"	1.007276
"1362512"	256.022576	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H"	1.007276
"136493"	256.022576	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+2H"	2.014552
"580433"	383.530226	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+2H"	2.014552
"1047043"	128.514926	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2H"	2.014552
"219691"	171.017476	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+3H"	3.021828
"658768"	256.022576	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+3H"	3.021828
"1175554"	86.012376	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+3H"	3.021828
"437004"	528.064423	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+NH4"	18.033823
"795447"	783.079723	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+NH4"	18.033823
"1694693"	273.049123	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+NH4"	18.033823
"345567"	264.5358495	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+H+NH4"	19.041099
"737824"	392.0434995	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+H+NH4"	19.041099
"1492722"	137.0281995	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H+NH4"	19.041099
"407894"	533.019818	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+Na"	22.989218
"768522"	788.035118	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+Na"	22.989218
"1615165"	278.004518	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Na"	22.989218
"329857"	267.013547	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+H+Na"	23.996494
"716899"	394.521197	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+H+Na"	23.996494
"1475093"	139.505897	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H+Na"	23.996494
"1065425"	93.33969	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2H+Na"	25.00377
"1267833"	288.048786	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+CH3OH+H"	33.033486
"389689"	548.993758	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+K"	38.963158
"744122"	804.009058	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+K"	38.963158
"1541072"	293.978458	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+K"	38.963158
"304445"	275.000517	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+H+K"	39.970434
"697959"	402.508167	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+H+K"	39.970434
"1451779"	147.492867	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H+K"	39.970434
"241475"	552.064426	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+ACN+H"	42.033826
"1214185"	297.049126	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+ACN+H"	42.033826
"1196972"	149.028201	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+ACN+2H"	43.041102
"195313"	555.00176	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+2Na-H"	44.97116
"637059"	810.01706	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+2Na-H"	44.97116
"1138378"	299.98646	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2Na-H"	44.97116
"177656"	278.004518	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+2Na"	45.978436
"612844"	405.512168	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+2Na"	45.978436
"1116710"	150.496868	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2Na"	45.978436
"1401702"	100.667004	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H+2Na"	46.985712
"1435277"	302.028046	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H+HCOOH"	47.012746
"221691"	283.03754	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+3H2O+2H"	56.04448
"1513034"	316.08009	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+IsoProp+H"	61.06479
"417828"	285.991488	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+Na+K"	61.952376
"779917"	413.499138	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+Na+K"	61.952376
"1678436"	158.483838	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Na+K"	61.952376
"260580"	574.046368	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+ACN+Na"	64.015768
"1237664"	319.031068	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+ACN+Na"	64.015768
"1722177"	319.054593	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+NH4+HCOOH"	64.039293
"1189719"	107.994318	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+3Na"	68.967654
"1651956"	324.009988	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Na+HCOOH"	68.994688
"161010"	586.94964	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+2K-H"	76.91904
"597320"	841.96494	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+2K-H"	76.91904
"1084959"	331.93434	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2K-H"	76.91904
"147367"	293.978458	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"2M+2K"	77.926316
"581941"	421.486108	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"3M+2K"	77.926316
"1070711"	166.470808	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2K"	77.926316
"1100187"	333.948892	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2K+H"	78.933592
"1337020"	334.036507	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+DMSO+H"	79.021207
"1005952"	338.075676	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2ACN+H"	83.060376
"1524885"	339.069308	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+IsoProp+Na+H"	84.054008
"990731"	169.541476	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+2ACN+2H"	84.067652
"1588270"	339.983928	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+K+HCOOH"	84.968628
"1416119"	370.015438	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+H+CF3COOH"	115.000138
"1150052"	190.054751	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+3ACN+2H"	125.094202
"1698875"	387.041985	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+NH4+CF3COOH"	132.026685
"1636350"	391.99738	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+Na+CF3COOH"	136.98208
"1578561"	407.97132	"C19011"	"Phosfolan"	"C7H14NO3PS2"	"255.0153"	"M+K+CF3COOH"	152.95602
"807834"	333.1276	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M"	0
"981366"	314.10921	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-H2O-H"	-19.01839
"63144"	221.077790666667	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M-3H"	-3.021828
"503161"	332.120324	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M-3H"	-3.021828
"880775"	110.035257333333	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-3H"	-3.021828
"3362"	332.120324	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M-2H"	-2.014552
"441828"	498.684124	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M-2H"	-2.014552
"819628"	165.556524	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-2H"	-2.014552
"79009"	665.247924	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M-H"	-1.007276
"523558"	998.375524	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M-H"	-1.007276
"905370"	332.120324	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-H"	-1.007276
"47836"	682.274471	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M-2H+NH4"	16.019271
"487393"	1015.402071	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M-2H+NH4"	16.019271
"869815"	349.146871	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-2H+NH4"	16.019271
"34436"	687.229866	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M-2H+Na"	20.974666
"472051"	1020.357466	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M-2H+Na"	20.974666
"852891"	354.102266	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-2H+Na"	20.974666
"1620607"	354.102266	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Na-2H"	20.974666
"98961"	350.108663	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M-H+Cl"	33.962126
"536334"	516.672463	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M-H+Cl"	33.962126
"927535"	183.544863	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-H+Cl"	33.962126
"267187"	701.224602	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+Cl"	34.969402
"660948"	1034.352202	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+Cl"	34.969402
"1274083"	368.097002	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Cl"	34.969402
"25633"	703.203806	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M-2H+K"	36.948606
"463012"	1036.331406	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M-2H+K"	36.948606
"833521"	370.076206	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-2H+K"	36.948606
"1559921"	370.076206	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+K-2H"	36.948606
"945619"	378.125794	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-H+HCOOH"	44.998194
"363105"	711.253401	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+HCOOH-H"	44.998201
"346742"	725.269051	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+Hac-H"	59.013851
"1495460"	392.141451	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Hac-H"	59.013851
"961908"	400.107751	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-H+NaCOOH"	66.980151
"116285"	368.097002	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+2Cl"	69.938804
"552925"	534.660802	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+2Cl"	69.938804
"1026835"	201.533202	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2Cl"	69.938804
"1246412"	412.046485	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Br"	78.918885
"1309225"	414.102472	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Cl+HCOOH"	80.974872
"1326361"	436.084429	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Cl+NaCOOH"	102.956829
"912680"	446.113186	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M-H+CF3COOH"	112.985586
"1296315"	482.089864	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Cl+CF3COOH"	148.962264
"1374477"	298.114924	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H-2H2O"	-35.012676
"1388696"	316.1249	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H-H2O"	-17.0027
"287290"	667.262476	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+H"	1.007276
"680806"	1000.390076	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+H"	1.007276
"1359342"	334.134876	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H"	1.007276
"136603"	334.134876	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+2H"	2.014552
"580544"	500.698676	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+2H"	2.014552
"1043872"	167.571076	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2H"	2.014552
"217976"	223.092342666667	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+3H"	3.021828
"655352"	334.134876	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+3H"	3.021828
"1174570"	112.049809333333	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+3H"	3.021828
"431646"	684.289023	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+NH4"	18.033823
"795557"	1017.416623	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+NH4"	18.033823
"1694076"	351.161423	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+NH4"	18.033823
"341623"	342.6481495	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+H+NH4"	19.041099
"735136"	509.2119495	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+H+NH4"	19.041099
"1491513"	176.0843495	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H+NH4"	19.041099
"405818"	689.244418	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+Na"	22.989218
"768632"	1022.372018	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+Na"	22.989218
"1614544"	356.116818	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Na"	22.989218
"328833"	345.125847	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+H+Na"	23.996494
"715914"	511.689647	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+H+Na"	23.996494
"1470829"	178.562047	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H+Na"	23.996494
"1061889"	119.377123333333	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2H+Na"	25.00377
"1267942"	366.161086	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+CH3OH+H"	33.033486
"386516"	705.218358	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+K"	38.963158
"742045"	1038.345958	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+K"	38.963158
"1545191"	372.090758	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+K"	38.963158
"304554"	353.112817	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+H+K"	39.970434
"700256"	519.676617	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+H+K"	39.970434
"1451889"	186.549017	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H+K"	39.970434
"244865"	708.289026	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+ACN+H"	42.033826
"1216482"	375.161426	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+ACN+H"	42.033826
"1197085"	188.084351	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+ACN+2H"	43.041102
"195423"	711.22636	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+2Na-H"	44.97116
"636075"	1044.35396	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+2Na-H"	44.97116
"1134841"	378.09876	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2Na-H"	44.97116
"173429"	356.116818	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+2Na"	45.978436
"613070"	522.680618	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+2Na"	45.978436
"1115799"	189.553018	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2Na"	45.978436
"1401083"	126.704437333333	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H+2Na"	46.985712
"1435023"	380.140346	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H+HCOOH"	47.012746
"220950"	361.14984	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+3H2O+2H"	56.04448
"1512051"	394.19239	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+IsoProp+H"	61.06479
"417938"	364.103788	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+Na+K"	61.952376
"780027"	530.667588	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+Na+K"	61.952376
"1677453"	197.539988	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Na+K"	61.952376
"260690"	730.270968	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+ACN+Na"	64.015768
"1236681"	397.143368	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+ACN+Na"	64.015768
"1721194"	397.166893	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+NH4+HCOOH"	64.039293
"1187642"	134.031751333333	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+3Na"	68.967654
"1651702"	402.122288	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Na+HCOOH"	68.994688
"158933"	743.17424	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+2K-H"	76.91904
"597145"	1076.30184	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+2K-H"	76.91904
"1084949"	410.04664	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2K-H"	76.91904
"145290"	372.090758	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"2M+2K"	77.926316
"581562"	538.654558	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"3M+2K"	77.926316
"1070821"	205.526958	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2K"	77.926316
"1100137"	412.061192	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2K+H"	78.933592
"1338954"	412.148807	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+DMSO+H"	79.021207
"1005659"	416.187976	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2ACN+H"	83.060376
"1524219"	417.181608	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+IsoProp+Na+H"	84.054008
"990232"	208.597626	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+2ACN+2H"	84.067652
"1588382"	418.096228	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+K+HCOOH"	84.968628
"1416959"	448.127738	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+H+CF3COOH"	115.000138
"1150161"	229.110901	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+3ACN+2H"	125.094202
"1698620"	465.154285	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+NH4+CF3COOH"	132.026685
"1636460"	470.10968	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+Na+CF3COOH"	136.98208
"1578671"	486.08362	"C19012"	"Pirimiphos-ethyl;Pirimiphosethyl"	"C13H24N3O3PS"	"333.1276"	"M+K+CF3COOH"	152.95602
"807944"	304.0898	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M"	0
"981476"	285.07141	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-H2O-H"	-19.01839
"63281"	201.719257333333	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M-3H"	-3.021828
"503933"	303.082524	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M-3H"	-3.021828
"883801"	100.355990666667	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-3H"	-3.021828
"2379"	303.082524	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M-2H"	-2.014552
"441938"	455.127424	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M-2H"	-2.014552
"823018"	151.037624	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-2H"	-2.014552
"80822"	607.172324	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M-H"	-1.007276
"518719"	911.262124	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M-H"	-1.007276
"895872"	303.082524	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-H"	-1.007276
"49649"	624.198871	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M-2H+NH4"	16.019271
"488355"	928.288671	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M-2H+NH4"	16.019271
"864940"	320.109071	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-2H+NH4"	16.019271
"37826"	629.154266	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M-2H+Na"	20.974666
"475199"	933.244066	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M-2H+Na"	20.974666
"853001"	325.064466	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-2H+Na"	20.974666
"1621446"	325.064466	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Na-2H"	20.974666
"95060"	321.070863	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M-H+Cl"	33.962126
"535713"	473.115763	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M-H+Cl"	33.962126
"931049"	169.025963	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-H+Cl"	33.962126
"268146"	643.149002	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+Cl"	34.969402
"660062"	947.238802	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+Cl"	34.969402
"1274436"	339.059202	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Cl"	34.969402
"29024"	645.128206	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M-2H+K"	36.948606
"462029"	949.218006	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M-2H+K"	36.948606
"834361"	341.038406	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-2H+K"	36.948606
"1567688"	341.038406	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+K-2H"	36.948606
"949010"	349.087994	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-H+HCOOH"	44.998194
"363945"	653.177801	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+HCOOH-H"	44.998201
"348192"	667.193451	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+Hac-H"	59.013851
"1497759"	363.103651	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Hac-H"	59.013851
"960923"	371.069951	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-H+NaCOOH"	66.980151
"115300"	339.059202	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+2Cl"	69.938804
"553037"	491.104102	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+2Cl"	69.938804
"1028039"	187.014302	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2Cl"	69.938804
"1247616"	383.008685	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Br"	78.918885
"1313345"	385.064672	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Cl+HCOOH"	80.974872
"1326471"	407.046629	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Cl+NaCOOH"	102.956829
"913154"	417.075386	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M-H+CF3COOH"	112.985586
"1296425"	453.052064	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Cl+CF3COOH"	148.962264
"1374587"	269.077124	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H-2H2O"	-35.012676
"1386620"	287.0871	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H-H2O"	-17.0027
"287400"	609.186876	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+H"	1.007276
"679822"	913.276676	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+H"	1.007276
"1361639"	305.097076	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H"	1.007276
"129422"	305.097076	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+2H"	2.014552
"579803"	457.141976	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+2H"	2.014552
"1047263"	153.052176	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2H"	2.014552
"218086"	203.733809333333	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+3H"	3.021828
"657773"	305.097076	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+3H"	3.021828
"1175046"	102.370542666667	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+3H"	3.021828
"433943"	626.213423	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+NH4"	18.033823
"789105"	930.303223	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+NH4"	18.033823
"1689082"	322.123623	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+NH4"	18.033823
"341733"	313.6103495	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+H+NH4"	19.041099
"731967"	465.6552495	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+H+NH4"	19.041099
"1488705"	161.5654495	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H+NH4"	19.041099
"402281"	631.168818	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+Na"	22.989218
"764369"	935.258618	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+Na"	22.989218
"1612467"	327.079018	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Na"	22.989218
"323597"	316.088047	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+H+Na"	23.996494
"714931"	468.132947	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+H+Na"	23.996494
"1471669"	164.043147	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H+Na"	23.996494
"1060903"	109.697856666667	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2H+Na"	25.00377
"1269509"	337.123286	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+CH3OH+H"	33.033486
"390633"	647.142758	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+K"	38.963158
"746529"	951.232558	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+K"	38.963158
"1549676"	343.052958	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+K"	38.963158
"309037"	324.075017	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+H+K"	39.970434
"702552"	476.119917	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+H+K"	39.970434
"1451999"	172.030117	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H+K"	39.970434
"244976"	650.213426	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+ACN+H"	42.033826
"1214406"	346.123626	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+ACN+H"	42.033826
"1196467"	173.565451	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+ACN+2H"	43.041102
"196627"	653.15076	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+2Na-H"	44.97116
"637278"	957.24056	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+2Na-H"	44.97116
"1134951"	349.06096	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2Na-H"	44.97116
"173985"	327.079018	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+2Na"	45.978436
"613219"	479.123918	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+2Na"	45.978436
"1115955"	175.034118	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2Na"	45.978436
"1398999"	117.025170666667	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H+2Na"	46.985712
"1434768"	351.102546	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H+HCOOH"	47.012746
"221424"	332.11204	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+3H2O+2H"	56.04448
"1511062"	365.15459	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+IsoProp+H"	61.06479
"418047"	335.065988	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+Na+K"	61.952376
"779044"	487.110888	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+Na+K"	61.952376
"1676469"	183.021088	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Na+K"	61.952376
"258248"	672.195368	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+ACN+Na"	64.015768
"1232052"	368.105568	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+ACN+Na"	64.015768
"1717657"	368.129093	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+NH4+HCOOH"	64.039293
"1178879"	124.352484666667	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+3Na"	68.967654
"1650063"	373.084488	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Na+HCOOH"	68.994688
"159039"	685.09864	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+2K-H"	76.91904
"597135"	989.18844	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+2K-H"	76.91904
"1084695"	381.00884	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2K-H"	76.91904
"145400"	343.052958	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"2M+2K"	77.926316
"581457"	495.097858	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"3M+2K"	77.926316
"1068652"	191.008058	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2K"	77.926316
"1100073"	383.023392	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2K+H"	78.933592
"1335901"	383.111007	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+DMSO+H"	79.021207
"1005658"	387.150176	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2ACN+H"	83.060376
"1524413"	388.143808	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+IsoProp+Na+H"	84.054008
"990342"	194.078726	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+2ACN+2H"	84.067652
"1588857"	389.058428	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+K+HCOOH"	84.968628
"1417069"	419.089938	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+H+CF3COOH"	115.000138
"1150271"	214.592001	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+3ACN+2H"	125.094202
"1697999"	436.116485	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+NH4+CF3COOH"	132.026685
"1636570"	441.07188	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+Na+CF3COOH"	136.98208
"1578781"	457.04582	"C19013"	"Propaphos"	"C13H21O4PS"	"304.0898"	"M+K+CF3COOH"	152.95602
"808054"	285.0622	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M"	0
"981586"	266.04381	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-H2O-H"	-19.01839
"65458"	189.034190666667	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M-3H"	-3.021828
"505016"	284.054924	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M-3H"	-3.021828
"881845"	94.0134573333333	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-3H"	-3.021828
"783"	284.054924	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M-2H"	-2.014552
"443141"	426.586024	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M-2H"	-2.014552
"820941"	141.523824	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-2H"	-2.014552
"80445"	569.117124	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M-H"	-1.007276
"519277"	854.179324	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M-H"	-1.007276
"895780"	284.054924	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-H"	-1.007276
"50489"	586.143671	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M-2H+NH4"	16.019271
"488587"	871.205871	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M-2H+NH4"	16.019271
"864929"	301.081471	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-2H+NH4"	16.019271
"37936"	591.099066	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M-2H+Na"	20.974666
"476404"	876.161266	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M-2H+Na"	20.974666
"858580"	306.036866	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-2H+Na"	20.974666
"1620463"	306.036866	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Na-2H"	20.974666
"94925"	302.043263	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M-H+Cl"	33.962126
"535335"	444.574363	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M-H+Cl"	33.962126
"931159"	159.512163	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-H+Cl"	33.962126
"267406"	605.093802	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+Cl"	34.969402
"660470"	890.156002	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+Cl"	34.969402
"1275275"	320.031602	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Cl"	34.969402
"30227"	607.073006	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M-2H+K"	36.948606
"463232"	892.135206	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M-2H+K"	36.948606
"837752"	322.010806	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-2H+K"	36.948606
"1567434"	322.010806	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+K-2H"	36.948606
"949120"	330.060394	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-H+HCOOH"	44.998194
"367335"	615.122601	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+HCOOH-H"	44.998201
"350124"	629.138251	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+Hac-H"	59.013851
"1497869"	344.076051	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Hac-H"	59.013851
"960670"	352.042351	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-H+NaCOOH"	66.980151
"117597"	320.031602	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+2Cl"	69.938804
"555697"	462.562702	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+2Cl"	69.938804
"1031429"	177.500502	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2Cl"	69.938804
"1253193"	363.981085	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Br"	78.918885
"1314548"	366.037072	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Cl+HCOOH"	80.974872
"1329861"	388.019029	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Cl+NaCOOH"	102.956829
"918732"	398.047786	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M-H+CF3COOH"	112.985586
"1302002"	434.024464	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Cl+CF3COOH"	148.962264
"1375790"	250.049524	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H-2H2O"	-35.012676
"1392197"	268.0595	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H-H2O"	-17.0027
"292977"	571.131676	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+H"	1.007276
"684305"	856.193876	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+H"	1.007276
"1365029"	286.069476	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H"	1.007276
"131355"	286.069476	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+2H"	2.014552
"581128"	428.600576	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+2H"	2.014552
"1051503"	143.538376	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2H"	2.014552
"219171"	191.048742666667	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+3H"	3.021828
"656667"	286.069476	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+3H"	3.021828
"1175886"	96.0280093333333	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+3H"	3.021828
"434052"	588.158223	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+NH4"	18.033823
"791400"	873.220423	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+NH4"	18.033823
"1691378"	303.096023	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+NH4"	18.033823
"340750"	294.5827495	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+H+NH4"	19.041099
"728797"	437.1138495	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+H+NH4"	19.041099
"1486992"	152.0516495	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H+NH4"	19.041099
"404578"	593.113618	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+Na"	22.989218
"763386"	878.175818	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+Na"	22.989218
"1613671"	308.051418	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Na"	22.989218
"325894"	297.060447	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+H+Na"	23.996494
"717226"	439.591547	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+H+Na"	23.996494
"1472142"	154.529347	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H+Na"	23.996494
"1063199"	103.355323333333	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2H+Na"	25.00377
"1268161"	318.095686	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+CH3OH+H"	33.033486
"390742"	609.087558	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+K"	38.963158
"747368"	894.149758	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+K"	38.963158
"1549784"	324.025358	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+K"	38.963158
"308053"	305.047417	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+H+K"	39.970434
"701569"	447.578517	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+H+K"	39.970434
"1452109"	162.516317	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H+K"	39.970434
"238524"	612.158226	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+ACN+H"	42.033826
"1222170"	327.096026	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+ACN+H"	42.033826
"1195115"	164.051651	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+ACN+2H"	43.041102
"195643"	615.09556	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+2Na-H"	44.97116
"634471"	900.15776	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+2Na-H"	44.97116
"1136154"	330.03336	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2Na-H"	44.97116
"173365"	308.051418	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+2Na"	45.978436
"613171"	450.582518	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+2Na"	45.978436
"1116312"	165.520318	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2Na"	45.978436
"1398742"	110.682637333333	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H+2Na"	46.985712
"1433784"	332.074946	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H+HCOOH"	47.012746
"222016"	313.08444	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+3H2O+2H"	56.04448
"1510442"	346.12699	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+IsoProp+H"	61.06479
"418157"	316.038388	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+Na+K"	61.952376
"779154"	458.569488	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+Na+K"	61.952376
"1677673"	173.507288	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Na+K"	61.952376
"259817"	634.140168	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+ACN+Na"	64.015768
"1236901"	349.077968	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+ACN+Na"	64.015768
"1720320"	349.101493	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+NH4+HCOOH"	64.039293
"1187862"	118.009951333333	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+3Na"	68.967654
"1652651"	354.056888	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Na+HCOOH"	68.994688
"158785"	647.04344	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+2K-H"	76.91904
"597734"	932.10564	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+2K-H"	76.91904
"1085410"	361.98124	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2K-H"	76.91904
"143323"	324.025358	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"2M+2K"	77.926316
"581861"	466.556458	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"3M+2K"	77.926316
"1069334"	181.494258	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2K"	77.926316
"1101208"	363.995792	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2K+H"	78.933592
"1338081"	364.083407	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+DMSO+H"	79.021207
"1006365"	368.122576	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2ACN+H"	83.060376
"1525465"	369.116208	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+IsoProp+Na+H"	84.054008
"991912"	184.564926	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+2ACN+2H"	84.067652
"1588238"	370.030828	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+K+HCOOH"	84.968628
"1417908"	400.062338	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+H+CF3COOH"	115.000138
"1148195"	205.078201	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+3ACN+2H"	125.094202
"1698108"	417.088885	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+NH4+CF3COOH"	132.026685
"1636680"	422.04428	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+Na+CF3COOH"	136.98208
"1578891"	438.01822	"C19014"	"Prothoate"	"C9H20NO3PS2"	"285.0622"	"M+K+CF3COOH"	152.95602
"813632"	286.1324	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M"	0
"986071"	267.11401	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-H2O-H"	-19.01839
"67755"	189.747657333333	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M-3H"	-3.021828
"506220"	285.125124	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M-3H"	-3.021828
"882927"	94.3701906666667	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-3H"	-3.021828
"5876"	285.125124	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M-2H"	-2.014552
"443251"	428.191324	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M-2H"	-2.014552
"821051"	142.058924	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-2H"	-2.014552
"81043"	571.257524	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M-H"	-1.007276
"519140"	857.389924	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M-H"	-1.007276
"896092"	285.125124	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-H"	-1.007276
"49870"	588.284071	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M-2H+NH4"	16.019271
"489065"	874.416471	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M-2H+NH4"	16.019271
"866866"	302.151671	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-2H+NH4"	16.019271
"40236"	593.239466	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M-2H+Na"	20.974666
"479796"	879.371866	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M-2H+Na"	20.974666
"860877"	307.107066	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-2H+Na"	20.974666
"1620573"	307.107066	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Na-2H"	20.974666
"95278"	303.113463	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M-H+Cl"	33.962126
"536054"	446.179663	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M-H+Cl"	33.962126
"931270"	160.047263	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-H+Cl"	33.962126
"269463"	607.234202	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+Cl"	34.969402
"660780"	893.366602	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+Cl"	34.969402
"1276114"	321.101802	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Cl"	34.969402
"30946"	609.213406	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M-2H+K"	36.948606
"466620"	895.345806	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M-2H+K"	36.948606
"841142"	323.081006	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-2H+K"	36.948606
"1561348"	323.081006	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+K-2H"	36.948606
"950323"	331.130594	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-H+HCOOH"	44.998194
"368536"	617.263001	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+HCOOH-H"	44.998201
"347679"	631.278651	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+Hac-H"	59.013851
"1497242"	345.146251	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Hac-H"	59.013851
"960772"	353.112551	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-H+NaCOOH"	66.980151
"112225"	321.101802	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+2Cl"	69.938804
"557266"	464.168002	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+2Cl"	69.938804
"1027165"	178.035602	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2Cl"	69.938804
"1245649"	365.051285	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Br"	78.918885
"1314657"	367.107272	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Cl+HCOOH"	80.974872
"1328873"	389.089229	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Cl+NaCOOH"	102.956829
"926128"	399.117986	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M-H+CF3COOH"	112.985586
"1296644"	435.094664	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Cl+CF3COOH"	148.962264
"1375900"	251.119724	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H-2H2O"	-35.012676
"1392307"	269.1297	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H-H2O"	-17.0027
"293087"	573.272076	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+H"	1.007276
"683322"	859.404476	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+H"	1.007276
"1364046"	287.139676	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H"	1.007276
"132558"	287.139676	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+2H"	2.014552
"581225"	430.205876	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+2H"	2.014552
"1050762"	144.073476	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2H"	2.014552
"218424"	191.762209333333	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+3H"	3.021828
"656777"	287.139676	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+3H"	3.021828
"1171985"	96.3847426666667	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+3H"	3.021828
"437442"	590.298623	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+NH4"	18.033823
"795157"	876.431023	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+NH4"	18.033823
"1692580"	304.166223	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+NH4"	18.033823
"339767"	295.6529495	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+H+NH4"	19.041099
"734375"	438.7191495	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+H+NH4"	19.041099
"1483822"	152.5867495	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H+NH4"	19.041099
"406511"	595.254018	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+Na"	22.989218
"762403"	881.386418	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+Na"	22.989218
"1614874"	309.121618	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Na"	22.989218
"326004"	298.130647	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+H+Na"	23.996494
"720617"	441.196847	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+H+Na"	23.996494
"1470067"	155.064447	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H+Na"	23.996494
"1065494"	103.712056666667	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2H+Na"	25.00377
"1270453"	319.165886	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+CH3OH+H"	33.033486
"390488"	611.227958	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+K"	38.963158
"745654"	897.360358	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+K"	38.963158
"1549895"	325.095558	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+K"	38.963158
"309257"	306.117617	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+H+K"	39.970434
"700585"	449.183817	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+H+K"	39.970434
"1453311"	163.051417	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H+K"	39.970434
"245196"	614.298626	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+ACN+H"	42.033826
"1217905"	328.166226	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+ACN+H"	42.033826
"1194981"	164.586751	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+ACN+2H"	43.041102
"196846"	617.23596	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+2Na-H"	44.97116
"633126"	903.36836	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+2Na-H"	44.97116
"1135900"	331.10356	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2Na-H"	44.97116
"173070"	309.121618	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+2Na"	45.978436
"615105"	452.187818	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+2Na"	45.978436
"1116422"	166.055418	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2Na"	45.978436
"1400433"	111.039370666667	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H+2Na"	46.985712
"1433530"	333.145146	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H+HCOOH"	47.012746
"222492"	314.15464	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+3H2O+2H"	56.04448
"1509825"	347.19719	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+IsoProp+H"	61.06479
"416081"	317.108588	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+Na+K"	61.952376
"779264"	460.174788	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+Na+K"	61.952376
"1678876"	174.042388	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Na+K"	61.952376
"259927"	636.280568	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+ACN+Na"	64.015768
"1237011"	350.148168	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+ACN+Na"	64.015768
"1720430"	350.171693	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+NH4+HCOOH"	64.039293
"1185786"	118.366684666667	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+3Na"	68.967654
"1652761"	355.127088	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Na+HCOOH"	68.994688
"158895"	649.18384	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+2K-H"	76.91904
"597277"	935.31624	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+2K-H"	76.91904
"1084505"	363.05144	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2K-H"	76.91904
"144526"	325.095558	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"2M+2K"	77.926316
"581389"	468.161758	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"3M+2K"	77.926316
"1069691"	182.029358	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2K"	77.926316
"1101806"	365.065992	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2K+H"	78.933592
"1338191"	365.153607	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+DMSO+H"	79.021207
"1005747"	369.192776	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2ACN+H"	83.060376
"1524395"	370.186408	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+IsoProp+Na+H"	84.054008
"990807"	185.100026	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+2ACN+2H"	84.067652
"1587206"	371.101028	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+K+HCOOH"	84.968628
"1414733"	401.132538	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+H+CF3COOH"	115.000138
"1147572"	205.613301	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+3ACN+2H"	125.094202
"1697854"	418.159085	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+NH4+CF3COOH"	132.026685
"1635696"	423.11448	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+Na+CF3COOH"	136.98208
"1577908"	439.08842	"C19015"	"Schradan;Octamethyl pyrophosphortetramide"	"C8H24N4O3P2"	"286.1324"	"M+K+CF3COOH"	152.95602
"808274"	322.0285	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M"	0
"987275"	303.01011	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-H2O-H"	-19.01839
"64585"	213.678390666667	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M-3H"	-3.021828
"503777"	321.021224	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M-3H"	-3.021828
"884129"	106.335557333333	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-3H"	-3.021828
"8172"	321.021224	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M-2H"	-2.014552
"445547"	482.035474	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M-2H"	-2.014552
"820431"	160.006974	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-2H"	-2.014552
"81154"	643.049724	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M-H"	-1.007276
"519133"	965.078224	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M-H"	-1.007276
"896327"	321.021224	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-H"	-1.007276
"51802"	660.076271	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M-2H+NH4"	16.019271
"488324"	982.104771	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M-2H+NH4"	16.019271
"868069"	338.047771	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-2H+NH4"	16.019271
"35971"	665.031666	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M-2H+Na"	20.974666
"477719"	987.060166	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M-2H+Na"	20.974666
"859894"	343.003166	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-2H+Na"	20.974666
"1621777"	343.003166	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Na-2H"	20.974666
"95631"	339.009563	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M-H+Cl"	33.962126
"535678"	500.023813	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M-H+Cl"	33.962126
"929557"	177.995313	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-H+Cl"	33.962126
"267626"	679.026402	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+Cl"	34.969402
"660164"	1001.054902	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+Cl"	34.969402
"1275129"	356.997902	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Cl"	34.969402
"30977"	681.005606	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M-2H+K"	36.948606
"460168"	1003.034106	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M-2H+K"	36.948606
"843436"	358.977106	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-2H+K"	36.948606
"1559268"	358.977106	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+K-2H"	36.948606
"945691"	367.026694	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-H+HCOOH"	44.998194
"363901"	689.055201	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+HCOOH-H"	44.998201
"347782"	703.070851	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+Hac-H"	59.013851
"1494062"	381.042351	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Hac-H"	59.013851
"959541"	389.008651	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-H+NaCOOH"	66.980151
"111608"	356.997902	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+2Cl"	69.938804
"551172"	518.012152	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+2Cl"	69.938804
"1025079"	195.983652	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2Cl"	69.938804
"1246849"	400.947385	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Br"	78.918885
"1307837"	403.003372	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Cl+HCOOH"	80.974872
"1326795"	424.985329	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Cl+NaCOOH"	102.956829
"922227"	435.014086	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M-H+CF3COOH"	112.985586
"1289825"	470.990764	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Cl+CF3COOH"	148.962264
"1376010"	287.015824	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H-2H2O"	-35.012676
"1391324"	305.0258	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H-H2O"	-17.0027
"293197"	645.064276	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+H"	1.007276
"683432"	967.092776	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+H"	1.007276
"1366345"	323.035776	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H"	1.007276
"133762"	323.035776	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+2H"	2.014552
"578794"	484.050026	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+2H"	2.014552
"1050508"	162.021526	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2H"	2.014552
"218048"	215.692942666667	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+3H"	3.021828
"657616"	323.035776	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+3H"	3.021828
"1175375"	108.350109333333	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+3H"	3.021828
"438890"	662.090823	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+NH4"	18.033823
"794173"	984.119323	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+NH4"	18.033823
"1689410"	340.062323	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+NH4"	18.033823
"338783"	331.5490495	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+H+NH4"	19.041099
"733392"	492.5632995	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+H+NH4"	19.041099
"1483932"	170.5347995	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H+NH4"	19.041099
"400424"	667.046218	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+Na"	22.989218
"758139"	989.074718	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+Na"	22.989218
"1607330"	345.017718	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Na"	22.989218
"318460"	334.026747	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+H+Na"	23.996494
"720728"	495.040997	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+H+Na"	23.996494
"1473456"	173.012497	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H+Na"	23.996494
"1061230"	115.677423333333	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2H+Na"	25.00377
"1267283"	355.061986	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+CH3OH+H"	33.033486
"390232"	683.020158	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+K"	38.963158
"743577"	1005.048658	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+K"	38.963158
"1552192"	360.991658	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+K"	38.963158
"310096"	342.013717	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+H+K"	39.970434
"700696"	503.027967	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+H+K"	39.970434
"1452328"	180.999467	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H+K"	39.970434
"244213"	686.090826	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+ACN+H"	42.033826
"1221295"	364.062326	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+ACN+H"	42.033826
"1196797"	182.534801	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+ACN+2H"	43.041102
"194770"	689.02816	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+2Na-H"	44.97116
"634330"	1011.05666	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+2Na-H"	44.97116
"1136741"	366.99966	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2Na-H"	44.97116
"180029"	345.017718	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+2Na"	45.978436
"614490"	506.031968	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+2Na"	45.978436
"1116650"	184.003468	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2Na"	45.978436
"1399084"	123.004737333333	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H+2Na"	46.985712
"1433640"	369.041246	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H+HCOOH"	47.012746
"221629"	350.05074	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+3H2O+2H"	56.04448
"1509324"	383.09329	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+IsoProp+H"	61.06479
"415097"	353.004688	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+Na+K"	61.952376
"779374"	514.018938	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+Na+K"	61.952376
"1678986"	191.990438	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Na+K"	61.952376
"260037"	708.072768	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+ACN+Na"	64.015768
"1234934"	386.044268	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+ACN+Na"	64.015768
"1719446"	386.067793	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+NH4+HCOOH"	64.039293
"1188082"	130.332051333333	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+3Na"	68.967654
"1653603"	391.023188	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Na+HCOOH"	68.994688
"157791"	720.97604	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+2K-H"	76.91904
"597955"	1043.00454	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+2K-H"	76.91904
"1085631"	398.94754	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2K-H"	76.91904
"144636"	360.991658	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"2M+2K"	77.926316
"581757"	522.005908	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"3M+2K"	77.926316
"1069922"	199.977408	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2K"	77.926316
"1102037"	400.962092	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2K+H"	78.933592
"1339394"	401.049707	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+DMSO+H"	79.021207
"1007925"	405.088876	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2ACN+H"	83.060376
"1524705"	406.082508	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+IsoProp+Na+H"	84.054008
"990916"	203.048076	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+2ACN+2H"	84.067652
"1587598"	406.997128	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+K+HCOOH"	84.968628
"1415087"	437.028638	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+H+CF3COOH"	115.000138
"1148168"	223.561351	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+3ACN+2H"	125.094202
"1697842"	454.055185	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+NH4+CF3COOH"	132.026685
"1635806"	459.01058	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+Na+CF3COOH"	136.98208
"1578018"	474.98452	"C19016"	"Sulprofos"	"C12H19O2PS3"	"322.0285"	"M+K+CF3COOH"	152.95602
"811664"	290.0684	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M"	0
"988478"	271.05001	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-H2O-H"	-19.01839
"64695"	192.371657333333	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M-3H"	-3.021828
"506804"	289.061124	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M-3H"	-3.021828
"886428"	95.6821906666667	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-3H"	-3.021828
"9376"	289.061124	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M-2H"	-2.014552
"446750"	434.095324	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M-2H"	-2.014552
"820176"	144.026924	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-2H"	-2.014552
"79802"	579.129524	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M-H"	-1.007276
"520824"	869.197924	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M-H"	-1.007276
"895948"	289.061124	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-H"	-1.007276
"47654"	596.156071	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M-2H+NH4"	16.019271
"488189"	886.224471	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M-2H+NH4"	16.019271
"868179"	306.087671	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-2H+NH4"	16.019271
"34986"	601.111466	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M-2H+Na"	20.974666
"474547"	891.179866	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M-2H+Na"	20.974666
"851255"	311.043066	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-2H+Na"	20.974666
"1622980"	311.043066	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Na-2H"	20.974666
"94931"	307.049463	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M-H+Cl"	33.962126
"535666"	452.083663	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M-H+Cl"	33.962126
"928937"	162.015263	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-H+Cl"	33.962126
"267493"	615.106202	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+Cl"	34.969402
"660074"	905.174602	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+Cl"	34.969402
"1275239"	325.037802	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Cl"	34.969402
"23996"	617.085406	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M-2H+K"	36.948606
"461372"	907.153806	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M-2H+K"	36.948606
"838080"	327.017006	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-2H+K"	36.948606
"1559378"	327.017006	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+K-2H"	36.948606
"945800"	335.066594	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-H+HCOOH"	44.998194
"361826"	625.135001	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+HCOOH-H"	44.998201
"346434"	639.150651	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+Hac-H"	59.013851
"1494171"	349.082251	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Hac-H"	59.013851
"958919"	357.048551	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-H+NaCOOH"	66.980151
"110985"	325.037802	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+2Cl"	69.938804
"549994"	470.072002	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+2Cl"	69.938804
"1024823"	180.003602	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2Cl"	69.938804
"1246959"	368.987285	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Br"	78.918885
"1307219"	371.043272	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Cl+HCOOH"	80.974872
"1326905"	393.025229	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Cl+NaCOOH"	102.956829
"922337"	403.053986	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M-H+CF3COOH"	112.985586
"1290300"	439.030664	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Cl+CF3COOH"	148.962264
"1379400"	255.055724	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H-2H2O"	-35.012676
"1392527"	273.0657	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H-H2O"	-17.0027
"287839"	581.144076	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+H"	1.007276
"690102"	871.212476	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+H"	1.007276
"1363170"	291.075676	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H"	1.007276
"132779"	291.075676	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+2H"	2.014552
"575623"	436.109876	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+2H"	2.014552
"1048795"	146.041476	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2H"	2.014552
"218886"	194.386209333333	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+3H"	3.021828
"659183"	291.075676	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+3H"	3.021828
"1175485"	97.6967426666667	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+3H"	3.021828
"438028"	598.170623	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+NH4"	18.033823
"799629"	888.239023	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+NH4"	18.033823
"1687333"	308.102223	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+NH4"	18.033823
"342174"	299.5889495	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+H+NH4"	19.041099
"733501"	444.6231495	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+H+NH4"	19.041099
"1484042"	154.5547495	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H+NH4"	19.041099
"400534"	603.126018	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+Na"	22.989218
"758249"	893.194418	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+Na"	22.989218
"1608534"	313.057618	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Na"	22.989218
"320758"	302.066647	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+H+Na"	23.996494
"717556"	447.100847	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+H+Na"	23.996494
"1474657"	157.032447	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H+Na"	23.996494
"1067175"	105.024056666667	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2H+Na"	25.00377
"1268491"	323.101886	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+CH3OH+H"	33.033486
"391071"	619.099958	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+K"	38.963158
"740771"	909.168358	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+K"	38.963158
"1549021"	329.031558	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+K"	38.963158
"308383"	310.053617	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+H+K"	39.970434
"698620"	455.087817	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+H+K"	39.970434
"1452439"	165.019417	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H+K"	39.970434
"244322"	622.170626	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+ACN+H"	42.033826
"1219217"	332.102226	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+ACN+H"	42.033826
"1203099"	166.554751	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+ACN+2H"	43.041102
"194879"	625.10796	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+2Na-H"	44.97116
"636625"	915.17636	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+2Na-H"	44.97116
"1135758"	335.03956	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2Na-H"	44.97116
"182328"	313.057618	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+2Na"	45.978436
"615327"	458.091818	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+2Na"	45.978436
"1116276"	168.023418	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2Na"	45.978436
"1400532"	112.351370666667	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H+2Na"	46.985712
"1432287"	337.081146	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H+HCOOH"	47.012746
"221616"	318.09064	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+3H2O+2H"	56.04448
"1510042"	351.13319	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+IsoProp+H"	61.06479
"411922"	321.044588	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+Na+K"	61.952376
"770846"	466.078788	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+Na+K"	61.952376
"1675815"	176.010388	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Na+K"	61.952376
"260147"	644.152568	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+ACN+Na"	64.015768
"1235044"	354.084168	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+ACN+Na"	64.015768
"1719556"	354.107693	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+NH4+HCOOH"	64.039293
"1186006"	119.678684666667	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+3Na"	68.967654
"1655899"	359.063088	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Na+HCOOH"	68.994688
"158628"	657.05584	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+2K-H"	76.91904
"598914"	947.12424	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+2K-H"	76.91904
"1085494"	366.98744	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2K-H"	76.91904
"145839"	329.031558	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"2M+2K"	77.926316
"582356"	474.065758	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"3M+2K"	77.926316
"1071004"	183.997358	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2K"	77.926316
"1103119"	369.001992	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2K+H"	78.933592
"1339868"	369.089607	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+DMSO+H"	79.021207
"1007183"	373.128776	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2ACN+H"	83.060376
"1524417"	374.122408	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+IsoProp+Na+H"	84.054008
"991390"	187.068026	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+2ACN+2H"	84.067652
"1588688"	375.037028	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+K+HCOOH"	84.968628
"1415684"	405.068538	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+H+CF3COOH"	115.000138
"1148524"	207.581301	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+3ACN+2H"	125.094202
"1697831"	422.095085	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+NH4+CF3COOH"	132.026685
"1637010"	427.05048	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+Na+CF3COOH"	136.98208
"1578128"	443.02442	"C19017"	"TEPP;Tetraethyl pyrophosphate"	"C8H20O7P2"	"290.0684"	"M+K+CF3COOH"	152.95602
"808494"	331.9361	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M"	0
"987495"	312.91771	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-H2O-H"	-19.01839
"64805"	220.283457333333	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M-3H"	-3.021828
"507643"	330.928824	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M-3H"	-3.021828
"886538"	109.638090666667	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-3H"	-3.021828
"5112"	330.928824	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M-2H"	-2.014552
"447954"	496.896874	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M-2H"	-2.014552
"820288"	164.960774	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-2H"	-2.014552
"81373"	662.864924	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M-H"	-1.007276
"522028"	994.801024	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M-H"	-1.007276
"895764"	330.928824	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-H"	-1.007276
"52022"	679.891471	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M-2H+NH4"	16.019271
"488174"	1011.827571	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M-2H+NH4"	16.019271
"868289"	347.955371	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-2H+NH4"	16.019271
"37284"	684.846866	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M-2H+Na"	20.974666
"479031"	1016.782966	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M-2H+Na"	20.974666
"852457"	352.910766	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-2H+Na"	20.974666
"1623092"	352.910766	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Na-2H"	20.974666
"98528"	348.917163	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M-H+Cl"	33.962126
"535534"	514.885213	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M-H+Cl"	33.962126
"930142"	182.949113	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-H+Cl"	33.962126
"267967"	698.841602	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+Cl"	34.969402
"661363"	1030.777702	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+Cl"	34.969402
"1274984"	366.905502	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Cl"	34.969402
"21920"	700.820806	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M-2H+K"	36.948606
"461482"	1032.756906	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M-2H+K"	36.948606
"837096"	368.884706	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-2H+K"	36.948606
"1557302"	368.884706	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+K-2H"	36.948606
"945546"	376.934294	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-H+HCOOH"	44.998194
"361936"	708.870401	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+HCOOH-H"	44.998201
"345853"	722.886051	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+Hac-H"	59.013851
"1492740"	390.949951	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Hac-H"	59.013851
"958590"	398.916251	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-H+NaCOOH"	66.980151
"111827"	366.905502	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+2Cl"	69.938804
"551753"	532.873552	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+2Cl"	69.938804
"1021348"	200.937452	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2Cl"	69.938804
"1246700"	410.854985	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Br"	78.918885
"1306960"	412.910972	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Cl+HCOOH"	80.974872
"1323733"	434.892929	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Cl+NaCOOH"	102.956829
"922447"	444.921686	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M-H+CF3COOH"	112.985586
"1289317"	480.898364	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Cl+CF3COOH"	148.962264
"1372949"	296.923424	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H-2H2O"	-35.012676
"1391542"	314.9334	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H-H2O"	-17.0027
"286854"	664.879476	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+H"	1.007276
"684744"	996.815576	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+H"	1.007276
"1363280"	332.943376	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H"	1.007276
"136169"	332.943376	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+2H"	2.014552
"572454"	498.911426	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+2H"	2.014552
"1044533"	166.975326	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2H"	2.014552
"218632"	222.298009333333	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+3H"	3.021828
"657107"	332.943376	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+3H"	3.021828
"1172315"	111.652642666667	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+3H"	3.021828
"438867"	681.906023	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+NH4"	18.033823
"799859"	1013.842123	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+NH4"	18.033823
"1687443"	349.969923	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+NH4"	18.033823
"339004"	341.4566495	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+H+NH4"	19.041099
"727051"	507.4246995	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+H+NH4"	19.041099
"1484152"	175.4885995	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H+NH4"	19.041099
"395177"	686.861418	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+Na"	22.989218
"755320"	1018.797518	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+Na"	22.989218
"1602924"	354.925318	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Na"	22.989218
"315643"	343.934347	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+H+Na"	23.996494
"719852"	509.902397	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+H+Na"	23.996494
"1472580"	177.966297	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H+Na"	23.996494
"1065826"	118.979956666667	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2H+Na"	25.00377
"1269694"	364.969586	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+CH3OH+H"	33.033486
"388631"	702.835358	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+K"	38.963158
"743797"	1034.771458	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+K"	38.963158
"1542933"	370.899258	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+K"	38.963158
"305212"	351.921317	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+H+K"	39.970434
"700915"	517.889367	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+H+K"	39.970434
"1454735"	185.953267	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H+K"	39.970434
"246618"	705.906026	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+ACN+H"	42.033826
"1219327"	373.969926	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+ACN+H"	42.033826
"1202115"	187.488601	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+ACN+2H"	43.041102
"198270"	708.84336	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+2Na-H"	44.97116
"636734"	1040.77946	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+2Na-H"	44.97116
"1138057"	376.90726	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2Na-H"	44.97116
"181346"	354.925318	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+2Na"	45.978436
"614710"	520.893368	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+2Na"	45.978436
"1116751"	188.957268	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2Na"	45.978436
"1399551"	126.307270666667	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H+2Na"	46.985712
"1432033"	378.948846	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H+HCOOH"	47.012746
"220999"	359.95834	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+3H2O+2H"	56.04448
"1509791"	393.00089	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+IsoProp+H"	61.06479
"414219"	362.912288	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+Na+K"	61.952376
"770390"	528.880338	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+Na+K"	61.952376
"1673738"	196.944238	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Na+K"	61.952376
"259164"	727.887968	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+ACN+Na"	64.015768
"1235154"	395.951868	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+ACN+Na"	64.015768
"1716386"	395.975393	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+NH4+HCOOH"	64.039293
"1181012"	133.634584666667	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+3Na"	68.967654
"1656009"	400.930788	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Na+HCOOH"	68.994688
"160685"	740.79124	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+2K-H"	76.91904
"597689"	1072.72734	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+2K-H"	76.91904
"1085362"	408.85514	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2K-H"	76.91904
"142785"	370.899258	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"2M+2K"	77.926316
"582223"	536.867308	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"3M+2K"	77.926316
"1073301"	204.931208	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2K"	77.926316
"1104323"	410.869692	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2K+H"	78.933592
"1339614"	410.957307	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+DMSO+H"	79.021207
"1008144"	414.996476	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2ACN+H"	83.060376
"1524428"	415.990108	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+IsoProp+Na+H"	84.054008
"990058"	208.001876	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+2ACN+2H"	84.067652
"1589407"	416.904728	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+K+HCOOH"	84.968628
"1416161"	446.936238	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+H+CF3COOH"	115.000138
"1148634"	228.515151	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+3ACN+2H"	125.094202
"1697821"	463.962785	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+NH4+CF3COOH"	132.026685
"1637120"	468.91818	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+Na+CF3COOH"	136.98208
"1578238"	484.89212	"C19018"	"Trichloronat"	"C10H12Cl3O2PS"	"331.9361"	"M+K+CF3COOH"	152.95602
"811884"	334.1006	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M"	0
"982136"	315.08221	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-H2O-H"	-19.01839
"69288"	221.726457333333	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M-3H"	-3.021828
"513220"	333.093324	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M-3H"	-3.021828
"889928"	110.359590666667	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-3H"	-3.021828
"9596"	333.093324	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M-2H"	-2.014552
"449157"	500.143624	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M-2H"	-2.014552
"823678"	166.043024	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-2H"	-2.014552
"82576"	667.193924	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M-H"	-1.007276
"522138"	1001.294524	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M-H"	-1.007276
"896417"	333.093324	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-H"	-1.007276
"48361"	684.220471	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M-2H+NH4"	16.019271
"490596"	1018.321071	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M-2H+NH4"	16.019271
"869492"	350.119871	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-2H+NH4"	16.019271
"38488"	689.175866	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M-2H+Na"	20.974666
"479142"	1023.276466	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M-2H+Na"	20.974666
"853660"	355.075266	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-2H+Na"	20.974666
"1625390"	355.075266	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Na-2H"	20.974666
"99731"	351.081663	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M-H+Cl"	33.962126
"540386"	518.131963	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M-H+Cl"	33.962126
"934993"	184.031363	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-H+Cl"	33.962126
"275008"	703.170602	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+Cl"	34.969402
"665606"	1037.271202	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+Cl"	34.969402
"1276188"	369.070002	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Cl"	34.969402
"20937"	705.149806	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M-2H+K"	36.948606
"461592"	1039.250406	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M-2H+K"	36.948606
"840487"	371.049206	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-2H+K"	36.948606
"1558139"	371.049206	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+K-2H"	36.948606
"945655"	379.098794	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-H+HCOOH"	44.998194
"364963"	713.199401	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+HCOOH-H"	44.998201
"347386"	727.215051	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+Hac-H"	59.013851
"1496217"	393.114451	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Hac-H"	59.013851
"959748"	401.080751	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-H+NaCOOH"	66.980151
"114855"	369.070002	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+2Cl"	69.938804
"553321"	536.120302	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+2Cl"	69.938804
"1024673"	202.019702	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2Cl"	69.938804
"1242791"	413.019485	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Br"	78.918885
"1309985"	415.075472	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Cl+HCOOH"	80.974872
"1327123"	437.057429	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Cl+NaCOOH"	102.956829
"922557"	447.086186	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M-H+CF3COOH"	112.985586
"1299265"	483.062864	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Cl+CF3COOH"	148.962264
"1375245"	299.087924	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H-2H2O"	-35.012676
"1391652"	317.0979	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H-H2O"	-17.0027
"290244"	669.208476	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+H"	1.007276
"683761"	1003.309076	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+H"	1.007276
"1363390"	335.107876	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H"	1.007276
"138466"	335.107876	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+2H"	2.014552
"572564"	502.158176	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+2H"	2.014552
"1044643"	168.057576	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2H"	2.014552
"218378"	223.741009333333	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+3H"	3.021828
"658920"	335.107876	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+3H"	3.021828
"1176434"	112.374142666667	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+3H"	3.021828
"436788"	686.235023	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+NH4"	18.033823
"800820"	1020.335623	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+NH4"	18.033823
"1687553"	352.134423	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+NH4"	18.033823
"336927"	343.6211495	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+H+NH4"	19.041099
"728255"	510.6714495	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+H+NH4"	19.041099
"1482075"	176.5708495	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H+NH4"	19.041099
"395287"	691.190418	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+Na"	22.989218
"755551"	1025.291018	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+Na"	22.989218
"1605472"	357.089818	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Na"	22.989218
"324258"	346.098847	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+H+Na"	23.996494
"718870"	513.149147	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+H+Na"	23.996494
"1469413"	179.048547	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H+Na"	23.996494
"1062657"	119.701456666667	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2H+Na"	25.00377
"1266889"	367.134086	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+CH3OH+H"	33.033486
"388741"	707.164358	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+K"	38.963158
"746096"	1041.264958	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+K"	38.963158
"1548147"	373.063758	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+K"	38.963158
"310790"	354.085817	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+H+K"	39.970434
"701026"	521.136117	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+H+K"	39.970434
"1454845"	187.035517	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H+K"	39.970434
"246729"	710.235026	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+ACN+H"	42.033826
"1220532"	376.134426	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+ACN+H"	42.033826
"1204413"	188.570851	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+ACN+2H"	43.041102
"198381"	713.17236	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+2Na-H"	44.97116
"636844"	1047.27296	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+2Na-H"	44.97116
"1140354"	379.07176	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2Na-H"	44.97116
"182549"	357.089818	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+2Na"	45.978436
"614456"	524.140118	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+2Na"	45.978436
"1116986"	190.039518	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2Na"	45.978436
"1399416"	127.028770666667	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H+2Na"	46.985712
"1432144"	381.113346	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H+HCOOH"	47.012746
"221837"	362.12284	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+3H2O+2H"	56.04448
"1511359"	395.16539	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+IsoProp+H"	61.06479
"410682"	365.076788	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+Na+K"	61.952376
"772042"	532.127088	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+Na+K"	61.952376
"1668380"	198.026488	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Na+K"	61.952376
"255263"	732.216968	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+ACN+Na"	64.015768
"1225784"	398.116368	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+ACN+Na"	64.015768
"1713083"	398.139893	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+NH4+HCOOH"	64.039293
"1178571"	134.356084666667	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+3Na"	68.967654
"1649937"	403.095288	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Na+HCOOH"	68.994688
"160795"	745.12024	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+2K-H"	76.91904
"597387"	1079.22084	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+2K-H"	76.91904
"1084418"	411.01964	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2K-H"	76.91904
"142533"	373.063758	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"2M+2K"	77.926316
"581414"	540.114058	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"3M+2K"	77.926316
"1069028"	206.013458	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2K"	77.926316
"1100663"	413.034192	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2K+H"	78.933592
"1336193"	413.121807	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+DMSO+H"	79.021207
"1005816"	417.160976	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2ACN+H"	83.060376
"1524457"	418.154608	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+IsoProp+Na+H"	84.054008
"989945"	209.084126	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+2ACN+2H"	84.067652
"1587568"	419.069228	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+K+HCOOH"	84.968628
"1415175"	449.100738	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+H+CF3COOH"	115.000138
"1148745"	229.597401	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+3ACN+2H"	125.094202
"1697931"	466.127285	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+NH4+CF3COOH"	132.026685
"1637230"	471.08268	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+Na+CF3COOH"	136.98208
"1581628"	487.05662	"C19019"	"Aramite"	"C15H23ClO4S"	"334.1006"	"M+K+CF3COOH"	152.95602
"808714"	356.0151	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M"	0
"980059"	336.99671	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-H2O-H"	-19.01839
"70494"	236.336124	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M-3H"	-3.021828
"506771"	355.007824	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M-3H"	-3.021828
"886757"	117.664424	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-3H"	-3.021828
"7519"	355.007824	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M-2H"	-2.014552
"452548"	533.015374	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M-2H"	-2.014552
"821602"	177.000274	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-2H"	-2.014552
"81594"	711.022924	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M-H"	-1.007276
"523341"	1067.038024	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M-H"	-1.007276
"900052"	355.007824	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-H"	-1.007276
"52240"	728.049471	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M-2H+NH4"	16.019271
"490706"	1084.064571	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M-2H+NH4"	16.019271
"870694"	372.034371	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-2H+NH4"	16.019271
"33612"	733.004866	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M-2H+Na"	20.974666
"480344"	1089.019966	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M-2H+Na"	20.974666
"852677"	376.989766	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-2H+Na"	20.974666
"1627686"	376.989766	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Na-2H"	20.974666
"100935"	372.996163	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M-H+Cl"	33.962126
"541588"	551.003713	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M-H+Cl"	33.962126
"936195"	194.988613	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-H+Cl"	33.962126
"276209"	746.999602	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+Cl"	34.969402
"667173"	1103.014702	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+Cl"	34.969402
"1278485"	390.984502	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Cl"	34.969402
"21047"	748.978806	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M-2H+K"	36.948606
"459516"	1104.993906	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M-2H+K"	36.948606
"837317"	392.963706	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-2H+K"	36.948606
"1558616"	392.963706	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+K-2H"	36.948606
"945767"	401.013294	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-H+HCOOH"	44.998194
"365436"	757.028401	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+HCOOH-H"	44.998201
"348589"	771.044051	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+Hac-H"	59.013851
"1495234"	415.028951	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Hac-H"	59.013851
"959859"	422.995251	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-H+NaCOOH"	66.980151
"112776"	390.984502	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+2Cl"	69.938804
"554160"	568.992052	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+2Cl"	69.938804
"1024418"	212.976952	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2Cl"	69.938804
"1243630"	434.933985	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Br"	78.918885
"1308276"	436.989972	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Cl+HCOOH"	80.974872
"1321764"	458.971929	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Cl+NaCOOH"	102.956829
"916468"	469.000686	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M-H+CF3COOH"	112.985586
"1299375"	504.977364	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Cl+CF3COOH"	148.962264
"1376447"	321.002424	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H-2H2O"	-35.012676
"1392851"	339.0124	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H-H2O"	-17.0027
"295822"	713.037476	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+H"	1.007276
"687151"	1069.052576	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+H"	1.007276
"1363500"	357.022376	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H"	1.007276
"138944"	357.022376	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+2H"	2.014552
"572674"	535.029926	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+2H"	2.014552
"1042566"	179.014826	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2H"	2.014552
"217760"	238.350676	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+3H"	3.021828
"659472"	357.022376	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+3H"	3.021828
"1175815"	119.678976	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+3H"	3.021828
"436898"	730.064023	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+NH4"	18.033823
"795705"	1086.079123	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+NH4"	18.033823
"1687663"	374.048923	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+NH4"	18.033823
"337037"	365.5356495	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+H+NH4"	19.041099
"725446"	543.5431995	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+H+NH4"	19.041099
"1481091"	187.5280995	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H+NH4"	19.041099
"394788"	735.019418	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+Na"	22.989218
"755052"	1091.034518	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+Na"	22.989218
"1606676"	379.004318	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Na"	22.989218
"321088"	368.013347	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+H+Na"	23.996494
"718616"	546.020897	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+H+Na"	23.996494
"1467334"	190.005797	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H+Na"	23.996494
"1060581"	127.00629	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2H+Na"	25.00377
"1266632"	389.048586	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+CH3OH+H"	33.033486
"385208"	750.993358	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+K"	38.963158
"747293"	1107.008458	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+K"	38.963158
"1549350"	394.978258	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+K"	38.963158
"307621"	376.000317	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+H+K"	39.970434
"700043"	554.007867	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+H+K"	39.970434
"1456777"	197.992767	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H+K"	39.970434
"245744"	754.064026	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+ACN+H"	42.033826
"1220277"	398.048926	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+ACN+H"	42.033826
"1203430"	199.528101	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+ACN+2H"	43.041102
"200677"	757.00136	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+2Na-H"	44.97116
"636954"	1113.01646	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+2Na-H"	44.97116
"1141558"	400.98626	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2Na-H"	44.97116
"184845"	379.004318	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+2Na"	45.978436
"622216"	557.011868	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+2Na"	45.978436
"1118431"	200.996768	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2Na"	45.978436
"1403052"	134.333604	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H+2Na"	46.985712
"1431888"	403.027846	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H+HCOOH"	47.012746
"221946"	384.03734	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+3H2O+2H"	56.04448
"1510008"	417.07989	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+IsoProp+H"	61.06479
"411157"	386.991288	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+Na+K"	61.952376
"771419"	564.998838	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+Na+K"	61.952376
"1668854"	208.983738	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Na+K"	61.952376
"255739"	776.045968	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+ACN+Na"	64.015768
"1225807"	420.030868	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+ACN+Na"	64.015768
"1713808"	420.054393	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+NH4+HCOOH"	64.039293
"1178870"	141.660918	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+3Na"	68.967654
"1650632"	425.009788	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Na+HCOOH"	68.994688
"159812"	788.94924	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+2K-H"	76.91904
"597539"	1144.96434	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+2K-H"	76.91904
"1085341"	432.93414	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2K-H"	76.91904
"142765"	394.978258	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"2M+2K"	77.926316
"581579"	572.985808	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"3M+2K"	77.926316
"1069021"	216.970708	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2K"	77.926316
"1100405"	434.948692	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2K+H"	78.933592
"1336062"	435.036307	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+DMSO+H"	79.021207
"1005688"	439.075476	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2ACN+H"	83.060376
"1524578"	440.069108	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+IsoProp+Na+H"	84.054008
"990503"	220.041376	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+2ACN+2H"	84.067652
"1588654"	440.983728	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+K+HCOOH"	84.968628
"1419662"	471.015238	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+H+CF3COOH"	115.000138
"1152137"	240.554651	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+3ACN+2H"	125.094202
"1698406"	488.041785	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+NH4+CF3COOH"	132.026685
"1640620"	492.99718	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+Na+CF3COOH"	136.98208
"1581738"	508.97112	"C19020"	"Azothoate"	"C14H14ClN2O3PS"	"356.0151"	"M+K+CF3COOH"	152.95602
"808824"	363.0874	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M"	0
"976524"	344.06901	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-H2O-H"	-19.01839
"71697"	241.050990666667	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M-3H"	-3.021828
"506152"	362.080124	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M-3H"	-3.021828
"883586"	120.021857333333	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-3H"	-3.021828
"5441"	362.080124	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M-2H"	-2.014552
"449377"	543.623824	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M-2H"	-2.014552
"819525"	180.536424	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-2H"	-2.014552
"81704"	725.167524	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M-H"	-1.007276
"521628"	1088.254924	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M-H"	-1.007276
"900162"	362.080124	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-H"	-1.007276
"53443"	742.194071	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M-2H+NH4"	16.019271
"488629"	1105.281471	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M-2H+NH4"	16.019271
"870804"	379.106671	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-2H+NH4"	16.019271
"35425"	747.149466	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M-2H+Na"	20.974666
"480454"	1110.236866	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M-2H+Na"	20.974666
"852787"	384.062066	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-2H+Na"	20.974666
"1628889"	384.062066	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Na-2H"	20.974666
"99586"	380.068463	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M-H+Cl"	33.962126
"541697"	561.612163	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M-H+Cl"	33.962126
"938490"	198.524763	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-H+Cl"	33.962126
"275955"	761.144202	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+Cl"	34.969402
"665097"	1124.231602	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+Cl"	34.969402
"1276775"	398.056802	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Cl"	34.969402
"19698"	763.123406	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M-2H+K"	36.948606
"466187"	1126.210806	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M-2H+K"	36.948606
"839615"	400.036006	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-2H+K"	36.948606
"1559820"	400.036006	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+K-2H"	36.948606
"946609"	408.085594	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-H+HCOOH"	44.998194
"362635"	771.173001	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+HCOOH-H"	44.998201
"346881"	785.188651	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+Hac-H"	59.013851
"1496074"	422.101251	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Hac-H"	59.013851
"960334"	430.067551	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-H+NaCOOH"	66.980151
"111428"	398.056802	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+2Cl"	69.938804
"553177"	579.600502	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+2Cl"	69.938804
"1023070"	216.513102	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2Cl"	69.938804
"1243012"	442.006285	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Br"	78.918885
"1307658"	444.062272	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Cl+HCOOH"	80.974872
"1321874"	466.044229	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Cl+NaCOOH"	102.956829
"911440"	476.072986	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M-H+CF3COOH"	112.985586
"1297298"	512.049664	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Cl+CF3COOH"	148.962264
"1376557"	328.074724	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H-2H2O"	-35.012676
"1395148"	346.0847	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H-H2O"	-17.0027
"295934"	727.182076	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+H"	1.007276
"689814"	1090.269476	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+H"	1.007276
"1366166"	364.094676	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H"	1.007276
"140145"	364.094676	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+2H"	2.014552
"578619"	545.638376	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+2H"	2.014552
"1051790"	182.550976	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2H"	2.014552
"215679"	243.065542666667	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+3H"	3.021828
"659380"	364.094676	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+3H"	3.021828
"1175560"	122.036409333333	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+3H"	3.021828
"439850"	744.208623	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+NH4"	18.033823
"798002"	1107.296023	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+NH4"	18.033823
"1691054"	381.121223	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+NH4"	18.033823
"336054"	372.6079495	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+H+NH4"	19.041099
"731755"	554.1516495	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+H+NH4"	19.041099
"1487762"	191.0642495	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H+NH4"	19.041099
"400974"	749.164018	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+Na"	22.989218
"763062"	1112.251418	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+Na"	22.989218
"1614440"	386.076618	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Na"	22.989218
"323385"	375.085647	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+H+Na"	23.996494
"718727"	556.629347	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+H+Na"	23.996494
"1468539"	193.541947	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H+Na"	23.996494
"1060690"	129.363723333333	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2H+Na"	25.00377
"1266744"	396.120886	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+CH3OH+H"	33.033486
"388599"	765.137958	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+K"	38.963158
"749591"	1128.225358	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+K"	38.963158
"1552741"	402.050558	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+K"	38.963158
"309917"	383.072617	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+H+K"	39.970434
"704164"	564.616317	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+H+K"	39.970434
"1456159"	201.528917	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H+K"	39.970434
"248041"	768.208626	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+ACN+H"	42.033826
"1223666"	405.121226	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+ACN+H"	42.033826
"1207795"	203.064251	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+ACN+2H"	43.041102
"201515"	771.14596	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+2Na-H"	44.97116
"637064"	1134.23336	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+2Na-H"	44.97116
"1143853"	408.05856	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2Na-H"	44.97116
"187141"	386.076618	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+2Na"	45.978436
"626700"	567.620318	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+2Na"	45.978436
"1120368"	204.532918	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2Na"	45.978436
"1403891"	136.691037333333	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H+2Na"	46.985712
"1435281"	410.100146	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H+HCOOH"	47.012746
"222786"	391.10964	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+3H2O+2H"	56.04448
"1512671"	424.15219	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+IsoProp+H"	61.06479
"410170"	394.063588	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+Na+K"	61.952376
"774083"	575.607288	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+Na+K"	61.952376
"1673703"	212.519888	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Na+K"	61.952376
"258401"	790.190568	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+ACN+Na"	64.015768
"1231111"	427.103168	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+ACN+Na"	64.015768
"1719634"	427.126693	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+NH4+HCOOH"	64.039293
"1186447"	144.018351333333	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+3Na"	68.967654
"1657435"	432.082088	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Na+HCOOH"	68.994688
"164296"	803.09384	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+2K-H"	76.91904
"601670"	1166.18124	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+2K-H"	76.91904
"1088370"	440.00644	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2K-H"	76.91904
"146280"	402.050558	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"2M+2K"	77.926316
"583650"	583.594258	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"3M+2K"	77.926316
"1076913"	220.506858	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2K"	77.926316
"1105748"	442.020992	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2K+H"	78.933592
"1336055"	442.108607	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+DMSO+H"	79.021207
"1007624"	446.147776	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2ACN+H"	83.060376
"1525749"	447.141408	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+IsoProp+Na+H"	84.054008
"993048"	223.577526	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+2ACN+2H"	84.067652
"1590102"	448.056028	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+K+HCOOH"	84.968628
"1424147"	478.087538	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+H+CF3COOH"	115.000138
"1152247"	244.090801	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+3ACN+2H"	125.094202
"1698516"	495.114085	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+NH4+CF3COOH"	132.026685
"1640730"	500.06948	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+Na+CF3COOH"	136.98208
"1581848"	516.04342	"C19021"	"Benzoximate"	"C18H18ClNO5"	"363.0874"	"M+K+CF3COOH"	152.95602
"808935"	322.1165	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M"	0
"982467"	303.09811	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-H2O-H"	-19.01839
"76182"	213.737057333333	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M-3H"	-3.021828
"509179"	321.109224	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M-3H"	-3.021828
"886977"	106.364890666667	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-3H"	-3.021828
"6646"	321.109224	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M-2H"	-2.014552
"442926"	482.167474	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M-2H"	-2.014552
"820730"	160.050974	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-2H"	-2.014552
"82908"	643.225724	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M-H"	-1.007276
"520644"	965.342224	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M-H"	-1.007276
"900272"	321.109224	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-H"	-1.007276
"53553"	660.252271	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M-2H+NH4"	16.019271
"488739"	982.368771	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M-2H+NH4"	16.019271
"867634"	338.135771	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-2H+NH4"	16.019271
"39910"	665.207666	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M-2H+Na"	20.974666
"477284"	987.324166	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M-2H+Na"	20.974666
"856177"	343.091166	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-2H+Na"	20.974666
"1627903"	343.091166	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Na-2H"	20.974666
"102248"	339.097563	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M-H+Cl"	33.962126
"541807"	500.155813	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M-H+Cl"	33.962126
"936414"	178.039313	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-H+Cl"	33.962126
"276066"	679.202402	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+Cl"	34.969402
"664842"	1001.318902	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+Cl"	34.969402
"1276522"	357.085902	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Cl"	34.969402
"19080"	681.181606	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M-2H+K"	36.948606
"465205"	1003.298106	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M-2H+K"	36.948606
"840819"	359.065106	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-2H+K"	36.948606
"1561025"	359.065106	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+K-2H"	36.948606
"945627"	367.114694	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-H+HCOOH"	44.998194
"362257"	689.231201	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+HCOOH-H"	44.998201
"348816"	703.246851	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+Hac-H"	59.013851
"1493876"	381.130351	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Hac-H"	59.013851
"959595"	389.096651	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-H+NaCOOH"	66.980151
"111176"	357.085902	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+2Cl"	69.938804
"556934"	518.144152	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+2Cl"	69.938804
"1022086"	196.027652	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2Cl"	69.938804
"1248592"	401.035385	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Br"	78.918885
"1307038"	403.091372	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Cl+HCOOH"	80.974872
"1327454"	425.073329	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Cl+NaCOOH"	102.956829
"913773"	435.102086	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M-H+CF3COOH"	112.985586
"1301784"	471.078764	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Cl+CF3COOH"	148.962264
"1376667"	287.103824	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H-2H2O"	-35.012676
"1393072"	305.1138	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H-H2O"	-17.0027
"297381"	645.240276	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+H"	1.007276
"687370"	967.356776	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+H"	1.007276
"1365915"	323.123776	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H"	1.007276
"139771"	323.123776	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+2H"	2.014552
"578731"	484.182026	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+2H"	2.014552
"1050077"	162.065526	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2H"	2.014552
"216153"	215.751609333333	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+3H"	3.021828
"659005"	323.123776	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+3H"	3.021828
"1176284"	108.379442666667	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+3H"	3.021828
"437855"	662.266823	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+NH4"	18.033823
"800305"	984.383323	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+NH4"	18.033823
"1694810"	340.150323	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+NH4"	18.033823
"344545"	331.6370495	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+H+NH4"	19.041099
"735875"	492.6952995	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+H+NH4"	19.041099
"1490424"	170.5787995	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H+NH4"	19.041099
"401084"	667.222218	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+Na"	22.989218
"760985"	989.338718	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+Na"	22.989218
"1612364"	345.105718	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Na"	22.989218
"326411"	334.114747	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+H+Na"	23.996494
"718109"	495.172997	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+H+Na"	23.996494
"1474119"	173.056497	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H+Na"	23.996494
"1066999"	115.706756666667	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2H+Na"	25.00377
"1269041"	355.149986	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+CH3OH+H"	33.033486
"389804"	683.196158	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+K"	38.963158
"750796"	1005.312658	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+K"	38.963158
"1551757"	361.079658	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+K"	38.963158
"312213"	342.101717	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+H+K"	39.970434
"706829"	503.159967	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+H+K"	39.970434
"1458456"	181.043467	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H+K"	39.970434
"248151"	686.266826	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+ACN+H"	42.033826
"1223048"	364.150326	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+ACN+H"	42.033826
"1208025"	182.578801	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+ACN+2H"	43.041102
"202963"	689.20416	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+2Na-H"	44.97116
"642889"	1011.32066	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+2Na-H"	44.97116
"1145055"	367.08766	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2Na-H"	44.97116
"187251"	345.105718	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+2Na"	45.978436
"626689"	506.163968	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+2Na"	45.978436
"1122667"	184.047468	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2Na"	45.978436
"1402910"	123.034070666667	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H+2Na"	46.985712
"1438307"	369.129246	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H+HCOOH"	47.012746
"222897"	350.13874	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+3H2O+2H"	56.04448
"1514243"	383.18129	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+IsoProp+H"	61.06479
"416846"	353.092688	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+Na+K"	61.952376
"776746"	514.150938	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+Na+K"	61.952376
"1676002"	192.034438	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Na+K"	61.952376
"261428"	708.248768	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+ACN+Na"	64.015768
"1233408"	386.132268	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+ACN+Na"	64.015768
"1724481"	386.155793	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+NH4+HCOOH"	64.039293
"1191296"	130.361384666667	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+3Na"	68.967654
"1660827"	391.111188	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Na+HCOOH"	68.994688
"167688"	721.15204	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+2K-H"	76.91904
"603967"	1043.26854	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+2K-H"	76.91904
"1091762"	399.03554	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2K-H"	76.91904
"147484"	361.079658	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"2M+2K"	77.926316
"590322"	522.137908	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"3M+2K"	77.926316
"1078117"	200.021408	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2K"	77.926316
"1110961"	401.050092	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2K+H"	78.933592
"1344428"	401.137707	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+DMSO+H"	79.021207
"1014055"	405.176876	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2ACN+H"	83.060376
"1529992"	406.170508	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+IsoProp+Na+H"	84.054008
"998627"	203.092076	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+2ACN+2H"	84.067652
"1598597"	407.085128	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+K+HCOOH"	84.968628
"1426443"	437.116638	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+H+CF3COOH"	115.000138
"1152357"	223.605351	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+3ACN+2H"	125.094202
"1703002"	454.143185	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+NH4+CF3COOH"	132.026685
"1640840"	459.09858	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+Na+CF3COOH"	136.98208
"1581958"	475.07252	"C19022"	"Binapacryl"	"C15H18N2O6"	"322.1165"	"M+K+CF3COOH"	152.95602
"809044"	266.0265	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M"	0
"979296"	247.00811	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-H2O-H"	-19.01839
"71918"	176.343724	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M-3H"	-3.021828
"506009"	265.019224	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M-3H"	-3.021828
"880566"	87.668224	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-3H"	-3.021828
"597"	265.019224	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M-2H"	-2.014552
"442063"	398.032474	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M-2H"	-2.014552
"820839"	132.005974	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-2H"	-2.014552
"80586"	531.045724	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M-H"	-1.007276
"520754"	797.072224	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M-H"	-1.007276
"900382"	265.019224	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-H"	-1.007276
"50383"	548.072271	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M-2H+NH4"	16.019271
"487871"	814.098771	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M-2H+NH4"	16.019271
"864828"	282.045771	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-2H+NH4"	16.019271
"36739"	553.027666	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M-2H+Na"	20.974666
"475207"	819.054166	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M-2H+Na"	20.974666
"850820"	287.001166	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-2H+Na"	20.974666
"1628013"	287.001166	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Na-2H"	20.974666
"101265"	283.007563	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M-H+Cl"	33.962126
"541917"	416.020813	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M-H+Cl"	33.962126
"936524"	149.994313	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-H+Cl"	33.962126
"272895"	567.022402	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+Cl"	34.969402
"663859"	833.048902	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+Cl"	34.969402
"1276632"	300.995902	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Cl"	34.969402
"19190"	569.001606	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M-2H+K"	36.948606
"467501"	835.028106	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M-2H+K"	36.948606
"837649"	302.975106	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-2H+K"	36.948606
"1557855"	302.975106	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+K-2H"	36.948606
"943915"	311.024694	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-H+HCOOH"	44.998194
"361595"	577.051201	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+HCOOH-H"	44.998201
"347833"	591.066851	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+Hac-H"	59.013851
"1495200"	325.040351	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Hac-H"	59.013851
"959824"	333.006651	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-H+NaCOOH"	66.980151
"110550"	300.995902	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+2Cl"	69.938804
"553032"	434.009152	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+2Cl"	69.938804
"1026205"	167.982652	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2Cl"	69.938804
"1247243"	344.945385	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Br"	78.918885
"1304597"	347.001372	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Cl+HCOOH"	80.974872
"1319986"	368.983329	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Cl+NaCOOH"	102.956829
"913883"	379.012086	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M-H+CF3COOH"	112.985586
"1300800"	414.988764	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Cl+CF3COOH"	148.962264
"1373497"	231.013824	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H-2H2O"	-35.012676
"1392089"	249.0238	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H-H2O"	-17.0027
"297733"	533.060276	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+H"	1.007276
"687480"	799.086776	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+H"	1.007276
"1366025"	267.033776	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H"	1.007276
"140366"	267.033776	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+2H"	2.014552
"578841"	400.047026	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+2H"	2.014552
"1049095"	134.020526	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2H"	2.014552
"215899"	178.358276	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+3H"	3.021828
"658025"	267.033776	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+3H"	3.021828
"1176879"	89.682776	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+3H"	3.021828
"438327"	550.086823	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+NH4"	18.033823
"800417"	816.113323	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+NH4"	18.033823
"1695165"	284.060323	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+NH4"	18.033823
"343563"	275.5470495	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+H+NH4"	19.041099
"735621"	408.5602995	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+H+NH4"	19.041099
"1487620"	142.5337995	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H+NH4"	19.041099
"405205"	555.042218	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+Na"	22.989218
"765471"	821.068718	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+Na"	22.989218
"1614298"	289.015718	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Na"	22.989218
"328344"	278.024747	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+H+Na"	23.996494
"718219"	411.037997	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+H+Na"	23.996494
"1474959"	145.011497	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H+Na"	23.996494
"1068207"	97.01009	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2H+Na"	25.00377
"1272353"	299.059986	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+CH3OH+H"	33.033486
"391376"	571.016158	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+K"	38.963158
"752002"	837.042658	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+K"	38.963158
"1552961"	304.989658	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+K"	38.963158
"312324"	286.011717	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+H+K"	39.970434
"705476"	419.024967	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+H+K"	39.970434
"1456383"	152.998467	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H+K"	39.970434
"247899"	574.086826	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+ACN+H"	42.033826
"1223159"	308.060326	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+ACN+H"	42.033826
"1208135"	154.533801	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+ACN+2H"	43.041102
"202709"	577.02416	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+2Na-H"	44.97116
"641661"	843.05066	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+2Na-H"	44.97116
"1146016"	310.99766	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2Na-H"	44.97116
"179706"	289.015718	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+2Na"	45.978436
"622546"	422.028968	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+2Na"	45.978436
"1126053"	156.002468	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2Na"	45.978436
"1411763"	104.337404	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H+2Na"	46.985712
"1435864"	313.039246	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H+HCOOH"	47.012746
"223738"	294.04874	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+3H2O+2H"	56.04448
"1516176"	327.09129	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+IsoProp+H"	61.06479
"420236"	297.002688	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+Na+K"	61.952376
"776126"	430.015938	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+Na+K"	61.952376
"1673196"	163.989438	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Na+K"	61.952376
"260809"	596.068768	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+ACN+Na"	64.015768
"1231696"	330.042268	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+ACN+Na"	64.015768
"1723498"	330.065793	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+NH4+HCOOH"	64.039293
"1192134"	111.664718	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+3Na"	68.967654
"1662029"	335.021188	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Na+HCOOH"	68.994688
"168527"	608.97204	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+2K-H"	76.91904
"606264"	874.99854	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+2K-H"	76.91904
"1091872"	342.94554	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2K-H"	76.91904
"151967"	304.989658	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"2M+2K"	77.926316
"590432"	438.002908	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"3M+2K"	77.926316
"1080414"	171.976408	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2K"	77.926316
"1111435"	344.960092	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2K+H"	78.933592
"1344538"	345.047707	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+DMSO+H"	79.021207
"1017444"	349.086876	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2ACN+H"	83.060376
"1527915"	350.080508	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+IsoProp+Na+H"	84.054008
"998738"	175.047076	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+2ACN+2H"	84.067652
"1599800"	350.995128	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+K+HCOOH"	84.968628
"1424366"	381.026638	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+H+CF3COOH"	115.000138
"1152467"	195.560351	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+3ACN+2H"	125.094202
"1703112"	398.053185	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+NH4+CF3COOH"	132.026685
"1640950"	403.00858	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+Na+CF3COOH"	136.98208
"1582068"	418.98252	"C19023"	"Chlorfenethol"	"C14H12Cl2O"	"266.0265"	"M+K+CF3COOH"	152.95602
"803686"	301.9571	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M"	0
"980497"	282.93871	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-H2O-H"	-19.01839
"72026"	200.297457333333	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M-3H"	-3.021828
"507209"	300.949824	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M-3H"	-3.021828
"881365"	99.6450906666667	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-3H"	-3.021828
"417"	300.949824	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M-2H"	-2.014552
"439997"	451.928374	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M-2H"	-2.014552
"819124"	149.971274	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-2H"	-2.014552
"79232"	602.906924	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M-H"	-1.007276
"521957"	904.864024	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M-H"	-1.007276
"897209"	300.949824	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-H"	-1.007276
"48667"	619.933471	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M-2H+NH4"	16.019271
"489322"	921.890571	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M-2H+NH4"	16.019271
"864557"	317.976371	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-2H+NH4"	16.019271
"31976"	624.888866	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M-2H+Na"	20.974666
"472145"	926.845966	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M-2H+Na"	20.974666
"849226"	322.931766	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-2H+Na"	20.974666
"1631403"	322.931766	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Na-2H"	20.974666
"106840"	318.938163	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M-H+Cl"	33.962126
"546401"	469.916713	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M-H+Cl"	33.962126
"938821"	167.959613	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-H+Cl"	33.962126
"279565"	638.883602	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+Cl"	34.969402
"669800"	940.840702	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+Cl"	34.969402
"1281115"	336.926502	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Cl"	34.969402
"20393"	640.862806	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M-2H+K"	36.948606
"463238"	942.819906	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M-2H+K"	36.948606
"839944"	338.905706	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-2H+K"	36.948606
"1557963"	338.905706	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+K-2H"	36.948606
"944023"	346.955294	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-H+HCOOH"	44.998194
"362597"	648.912401	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+HCOOH-H"	44.998201
"348303"	662.928051	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+Hac-H"	59.013851
"1496769"	360.970951	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Hac-H"	59.013851
"963217"	368.937251	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-H+NaCOOH"	66.980151
"114677"	336.926502	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+2Cl"	69.938804
"553871"	487.905052	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+2Cl"	69.938804
"1027774"	185.947952	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2Cl"	69.938804
"1246259"	380.875985	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Br"	78.918885
"1306156"	382.931972	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Cl+HCOOH"	80.974872
"1320126"	404.913929	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Cl+NaCOOH"	102.956829
"911794"	414.942686	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M-H+CF3COOH"	112.985586
"1297628"	450.919364	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Cl+CF3COOH"	148.962264
"1369232"	266.944424	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H-2H2O"	-35.012676
"1390011"	284.9544	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H-H2O"	-17.0027
"295166"	604.921476	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+H"	1.007276
"687590"	906.878576	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+H"	1.007276
"1360659"	302.964376	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H"	1.007276
"140719"	302.964376	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+2H"	2.014552
"578583"	453.942926	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+2H"	2.014552
"1051508"	151.985826	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2H"	2.014552
"213092"	202.312009333333	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+3H"	3.021828
"657765"	302.964376	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+3H"	3.021828
"1175404"	101.659642666667	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+3H"	3.021828
"434787"	621.948023	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+NH4"	18.033823
"798698"	923.905123	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+NH4"	18.033823
"1685915"	319.990923	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+NH4"	18.033823
"339662"	311.4776495	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+H+NH4"	19.041099
"735000"	462.4561995	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+H+NH4"	19.041099
"1484809"	160.4990995	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H+NH4"	19.041099
"396927"	626.903418	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+Na"	22.989218
"766671"	928.860518	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+Na"	22.989218
"1609302"	324.946318	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Na"	22.989218
"323715"	313.955347	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+H+Na"	23.996494
"717234"	464.933897	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+H+Na"	23.996494
"1472514"	162.976797	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H+Na"	23.996494
"1066006"	108.986956666667	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2H+Na"	25.00377
"1270356"	334.990586	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+CH3OH+H"	33.033486
"388931"	642.877358	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+K"	38.963158
"751018"	944.834458	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+K"	38.963158
"1548701"	340.920258	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+K"	38.963158
"309884"	321.942317	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+H+K"	39.970434
"699392"	472.920867	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+H+K"	39.970434
"1454305"	170.963767	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H+K"	39.970434
"245823"	645.948026	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+ACN+H"	42.033826
"1221082"	343.990926	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+ACN+H"	42.033826
"1206059"	172.499101	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+ACN+2H"	43.041102
"200752"	648.88536	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+2Na-H"	44.97116
"640676"	950.84246	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+2Na-H"	44.97116
"1140901"	346.92826	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2Na-H"	44.97116
"176897"	324.946318	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+2Na"	45.978436
"619376"	475.924868	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+2Na"	45.978436
"1119965"	173.967768	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2Na"	45.978436
"1405312"	116.314270666667	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H+2Na"	46.985712
"1436335"	348.969846	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H+HCOOH"	47.012746
"224210"	329.97934	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+3H2O+2H"	56.04448
"1511177"	363.02189	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+IsoProp+H"	61.06479
"414879"	332.933288	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+Na+K"	61.952376
"772589"	483.911838	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+Na+K"	61.952376
"1674399"	181.954738	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Na+K"	61.952376
"260919"	667.929968	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+ACN+Na"	64.015768
"1232535"	365.972868	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+ACN+Na"	64.015768
"1722514"	365.996393	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+NH4+HCOOH"	64.039293
"1192246"	123.641584666667	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+3Na"	68.967654
"1663475"	370.951788	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Na+HCOOH"	68.994688
"169002"	680.83324	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+2K-H"	76.91904
"608560"	982.79034	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+2K-H"	76.91904
"1094168"	378.87614	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2K-H"	76.91904
"150984"	340.920258	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"2M+2K"	77.926316
"591636"	491.898808	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"3M+2K"	77.926316
"1079430"	189.941708	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2K"	77.926316
"1109358"	380.890692	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2K+H"	78.933592
"1344648"	380.978307	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+DMSO+H"	79.021207
"1017554"	385.017476	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2ACN+H"	83.060376
"1526932"	386.011108	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+IsoProp+Na+H"	84.054008
"1001034"	193.012376	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+2ACN+2H"	84.067652
"1597723"	386.925728	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+K+HCOOH"	84.968628
"1422289"	416.957238	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+H+CF3COOH"	115.000138
"1152577"	213.525651	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+3ACN+2H"	125.094202
"1703222"	433.983785	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+NH4+CF3COOH"	132.026685
"1641060"	438.93918	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+Na+CF3COOH"	136.98208
"1582178"	454.91312	"C19024"	"Chlorfenson"	"C12H8Cl2O3S"	"301.9571"	"M+K+CF3COOH"	152.95602
"801971"	349.9006	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M"	0
"977326"	330.88221	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-H2O-H"	-19.01839
"73230"	232.259790666667	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M-3H"	-3.021828
"503311"	348.893324	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M-3H"	-3.021828
"880134"	115.626257333333	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-3H"	-3.021828
"770"	348.893324	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M-2H"	-2.014552
"440696"	523.843624	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M-2H"	-2.014552
"817281"	173.943024	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-2H"	-2.014552
"79580"	698.793924	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M-H"	-1.007276
"519987"	1048.694524	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M-H"	-1.007276
"895975"	348.893324	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-H"	-1.007276
"47800"	715.820471	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M-2H+NH4"	16.019271
"488456"	1065.721071	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M-2H+NH4"	16.019271
"865042"	365.919871	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-2H+NH4"	16.019271
"32092"	720.775866	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M-2H+Na"	20.974666
"472012"	1070.676466	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M-2H+Na"	20.974666
"848843"	370.875266	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-2H+Na"	20.974666
"1631514"	370.875266	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Na-2H"	20.974666
"105857"	366.881663	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M-H+Cl"	33.962126
"545417"	541.831963	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M-H+Cl"	33.962126
"936744"	191.931363	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-H+Cl"	33.962126
"279675"	734.770602	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+Cl"	34.969402
"666630"	1084.671202	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+Cl"	34.969402
"1283412"	384.870002	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Cl"	34.969402
"20503"	736.749806	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M-2H+K"	36.948606
"464441"	1086.650406	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M-2H+K"	36.948606
"838961"	386.849206	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-2H+K"	36.948606
"1558073"	386.849206	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+K-2H"	36.948606
"943770"	394.898794	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-H+HCOOH"	44.998194
"362708"	744.799401	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+HCOOH-H"	44.998201
"349142"	758.815051	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+Hac-H"	59.013851
"1496151"	408.914451	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Hac-H"	59.013851
"962597"	416.880751	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-H+NaCOOH"	66.980151
"115517"	384.870002	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+2Cl"	69.938804
"560909"	559.820302	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+2Cl"	69.938804
"1028250"	209.919702	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2Cl"	69.938804
"1248921"	428.819485	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Br"	78.918885
"1305537"	430.875472	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Cl+HCOOH"	80.974872
"1320482"	452.857429	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Cl+NaCOOH"	102.956829
"911907"	462.886186	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M-H+CF3COOH"	112.985586
"1294457"	498.862864	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Cl+CF3COOH"	148.962264
"1369342"	314.887924	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H-2H2O"	-35.012676
"1385746"	332.8979	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H-H2O"	-17.0027
"291996"	700.808476	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+H"	1.007276
"687696"	1050.709076	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+H"	1.007276
"1357489"	350.907876	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H"	1.007276
"140585"	350.907876	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+2H"	2.014552
"579062"	525.858176	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+2H"	2.014552
"1051496"	175.957576	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2H"	2.014552
"211016"	234.274342666667	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+3H"	3.021828
"658482"	350.907876	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+3H"	3.021828
"1177216"	117.640809333333	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+3H"	3.021828
"435259"	717.835023	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+NH4"	18.033823
"794068"	1067.735623	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+NH4"	18.033823
"1690398"	367.934423	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+NH4"	18.033823
"336492"	359.4211495	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+H+NH4"	19.041099
"735110"	534.3714495	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+H+NH4"	19.041099
"1480545"	184.4708495	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H+NH4"	19.041099
"398130"	722.790418	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+Na"	22.989218
"761312"	1072.691018	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+Na"	22.989218
"1607225"	372.889818	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Na"	22.989218
"321636"	361.898847	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+H+Na"	23.996494
"717345"	536.849147	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+H+Na"	23.996494
"1471895"	186.948547	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H+Na"	23.996494
"1066965"	124.968123333333	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2H+Na"	25.00377
"1271195"	382.934086	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+CH3OH+H"	33.033486
"390864"	738.764358	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+K"	38.963158
"752221"	1088.664958	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+K"	38.963158
"1550997"	388.863758	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+K"	38.963158
"311816"	369.885817	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+H+K"	39.970434
"702053"	544.836117	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+H+K"	39.970434
"1455507"	194.935517	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H+K"	39.970434
"247388"	741.835026	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+ACN+H"	42.033826
"1222285"	391.934426	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+ACN+H"	42.033826
"1207262"	196.470851	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+ACN+2H"	43.041102
"200131"	744.77236	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+2Na-H"	44.97116
"639691"	1094.67296	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+2Na-H"	44.97116
"1138823"	394.87176	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2Na-H"	44.97116
"176279"	372.889818	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+2Na"	45.978436
"622767"	547.840118	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+2Na"	45.978436
"1121898"	197.939518	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2Na"	45.978436
"1405422"	132.295437333333	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H+2Na"	46.985712
"1437539"	396.913346	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H+HCOOH"	47.012746
"223592"	377.92284	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+3H2O+2H"	56.04448
"1510559"	410.96539	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+IsoProp+H"	61.06479
"413895"	380.876788	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+Na+K"	61.952376
"771971"	555.827088	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+Na+K"	61.952376
"1674509"	205.926488	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Na+K"	61.952376
"258842"	763.816968	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+ACN+Na"	64.015768
"1230458"	413.916368	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+ACN+Na"	64.015768
"1720437"	413.939893	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+NH4+HCOOH"	64.039293
"1184699"	139.622751333333	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+3Na"	68.967654
"1663340"	418.895288	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Na+HCOOH"	68.994688
"169841"	776.72024	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+2K-H"	76.91904
"606483"	1126.62084	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+2K-H"	76.91904
"1093184"	426.81964	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2K-H"	76.91904
"152188"	388.863758	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"2M+2K"	77.926316
"593933"	563.814058	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"3M+2K"	77.926316
"1077353"	213.913458	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2K"	77.926316
"1109468"	428.834192	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2K+H"	78.933592
"1346945"	428.921807	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+DMSO+H"	79.021207
"1016570"	432.960976	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2ACN+H"	83.060376
"1527042"	433.954608	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+IsoProp+Na+H"	84.054008
"1003330"	216.984126	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+2ACN+2H"	84.067652
"1598926"	434.869228	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+K+HCOOH"	84.968628
"1421305"	464.900738	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+H+CF3COOH"	115.000138
"1152687"	237.497401	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+3ACN+2H"	125.094202
"1703332"	481.927285	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+NH4+CF3COOH"	132.026685
"1641170"	486.88268	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+Na+CF3COOH"	136.98208
"1582288"	502.85662	"C19025"	"Chlorfensulphide;Azosulfide"	"C12H6Cl4N2S"	"349.9006"	"M+K+CF3COOH"	152.95602
"809374"	228.0488	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M"	0
"979625"	209.03041	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-H2O-H"	-19.01839
"73340"	151.025257333333	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M-3H"	-3.021828
"506337"	227.041524	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M-3H"	-3.021828
"880530"	75.0089906666667	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-3H"	-3.021828
"1974"	227.041524	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M-2H"	-2.014552
"443356"	341.065924	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M-2H"	-2.014552
"818608"	113.017124	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-2H"	-2.014552
"79693"	455.090324	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M-H"	-1.007276
"519615"	683.139124	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M-H"	-1.007276
"896203"	227.041524	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-H"	-1.007276
"47379"	472.116871	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M-2H+NH4"	16.019271
"488317"	700.165671	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M-2H+NH4"	16.019271
"864663"	244.068071	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-2H+NH4"	16.019271
"32201"	477.072266	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M-2H+Na"	20.974666
"471921"	705.121066	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M-2H+Na"	20.974666
"848831"	249.023466	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-2H+Na"	20.974666
"1631624"	249.023466	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Na-2H"	20.974666
"103780"	245.029863	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M-H+Cl"	33.962126
"546621"	359.054263	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M-H+Cl"	33.962126
"936854"	131.005463	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-H+Cl"	33.962126
"281487"	491.067002	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+Cl"	34.969402
"674273"	719.115802	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+Cl"	34.969402
"1281336"	263.018202	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Cl"	34.969402
"20613"	493.046206	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M-2H+K"	36.948606
"467832"	721.095006	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M-2H+K"	36.948606
"839071"	264.997406	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-2H+K"	36.948606
"1562557"	264.997406	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+K-2H"	36.948606
"946066"	273.046994	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-H+HCOOH"	44.998194
"362698"	501.095801	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+HCOOH-H"	44.998201
"348160"	515.111451	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+Hac-H"	59.013851
"1496994"	287.062651	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Hac-H"	59.013851
"960035"	295.028951	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-H+NaCOOH"	66.980151
"118907"	263.018202	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+2Cl"	69.938804
"561020"	377.042602	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+2Cl"	69.938804
"1028360"	148.993802	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2Cl"	69.938804
"1249032"	306.967685	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Br"	78.918885
"1305039"	309.023672	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Cl+HCOOH"	80.974872
"1320716"	331.005629	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Cl+NaCOOH"	102.956829
"911652"	341.034386	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M-H+CF3COOH"	112.985586
"1290916"	377.011064	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Cl+CF3COOH"	148.962264
"1370545"	193.036124	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H-2H2O"	-35.012676
"1385856"	211.0461	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H-H2O"	-17.0027
"286636"	457.104876	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+H"	1.007276
"687806"	685.153676	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+H"	1.007276
"1361968"	229.056076	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H"	1.007276
"140332"	229.056076	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+2H"	2.014552
"574421"	343.080476	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+2H"	2.014552
"1051242"	115.031676	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2H"	2.014552
"216229"	153.039809333333	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+3H"	3.021828
"659566"	229.056076	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+3H"	3.021828
"1177205"	77.0235426666667	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+3H"	3.021828
"433182"	474.131423	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+NH4"	18.033823
"797458"	702.180223	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+NH4"	18.033823
"1689415"	246.082623	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+NH4"	18.033823
"336602"	237.5693495	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+H+NH4"	19.041099
"735220"	351.5937495	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+H+NH4"	19.041099
"1486124"	123.5449495	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H+NH4"	19.041099
"400428"	479.086818	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+Na"	22.989218
"760329"	707.135618	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+Na"	22.989218
"1609521"	251.038018	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Na"	22.989218
"321746"	240.047047	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+H+Na"	23.996494
"718912"	354.071447	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+H+Na"	23.996494
"1472368"	126.022647	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H+Na"	23.996494
"1061242"	84.3508566666667	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2H+Na"	25.00377
"1269481"	261.082286	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+CH3OH+H"	33.033486
"392433"	495.060758	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+K"	38.963158
"750874"	723.109558	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+K"	38.963158
"1551105"	267.011958	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+K"	38.963158
"311559"	248.034017	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+H+K"	39.970434
"702889"	362.058417	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+H+K"	39.970434
"1453429"	134.009617	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H+K"	39.970434
"243124"	498.131426	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+ACN+H"	42.033826
"1223487"	270.082626	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+ACN+H"	42.033826
"1207371"	135.544951	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+ACN+2H"	43.041102
"199147"	501.06876	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+2Na-H"	44.97116
"639801"	729.11756	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+2Na-H"	44.97116
"1136746"	273.01996	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2Na-H"	44.97116
"177847"	251.038018	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+2Na"	45.978436
"620690"	365.062418	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+2Na"	45.978436
"1117633"	137.013618	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2Na"	45.978436
"1409907"	91.6781706666667	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H+2Na"	46.985712
"1439837"	275.061546	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H+HCOOH"	47.012746
"226254"	256.07104	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+3H2O+2H"	56.04448
"1513223"	289.11359	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+IsoProp+H"	61.06479
"415099"	259.024988	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+Na+K"	61.952376
"772081"	373.049388	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+Na+K"	61.952376
"1674619"	145.000588	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Na+K"	61.952376
"260046"	520.113368	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+ACN+Na"	64.015768
"1230568"	292.064568	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+ACN+Na"	64.015768
"1722734"	292.088093	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+NH4+HCOOH"	64.039293
"1189183"	99.0054846666667	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+3Na"	68.967654
"1664667"	297.043488	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Na+HCOOH"	68.994688
"171898"	533.01664	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+2K-H"	76.91904
"608779"	761.06544	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+2K-H"	76.91904
"1096575"	304.96784	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2K-H"	76.91904
"154486"	267.011958	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"2M+2K"	77.926316
"587481"	381.036358	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"3M+2K"	77.926316
"1082566"	152.987558	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2K"	77.926316
"1112859"	306.982392	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2K+H"	78.933592
"1345962"	307.070007	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+DMSO+H"	79.021207
"1017775"	311.109176	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2ACN+H"	83.060376
"1531526"	312.102808	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+IsoProp+Na+H"	84.054008
"1003319"	156.058226	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+2ACN+2H"	84.067652
"1595755"	313.017428	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+K+HCOOH"	84.968628
"1421415"	343.048938	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+H+CF3COOH"	115.000138
"1151702"	176.571501	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+3ACN+2H"	125.094202
"1706722"	360.075485	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+NH4+CF3COOH"	132.026685
"1644561"	365.03088	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+Na+CF3COOH"	136.98208
"1582398"	381.00482	"C19026"	"Chloromethiuron"	"C10H13ClN2S"	"228.0488"	"M+K+CF3COOH"	152.95602
"809484"	338.0476	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M"	0
"979735"	319.02921	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-H2O-H"	-19.01839
"65428"	224.357790666667	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M-3H"	-3.021828
"505109"	337.040324	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M-3H"	-3.021828
"881695"	111.675257333333	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-3H"	-3.021828
"1962"	337.040324	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M-2H"	-2.014552
"441643"	506.064124	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M-2H"	-2.014552
"817986"	168.016524	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-2H"	-2.014552
"78746"	675.087924	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M-H"	-1.007276
"519158"	1013.135524	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M-H"	-1.007276
"895702"	337.040324	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-H"	-1.007276
"47329"	692.114471	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M-2H+NH4"	16.019271
"487697"	1030.162071	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M-2H+NH4"	16.019271
"864523"	354.066871	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-2H+NH4"	16.019271
"31657"	697.069866	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M-2H+Na"	20.974666
"471579"	1035.117466	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M-2H+Na"	20.974666
"848634"	359.022266	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-2H+Na"	20.974666
"1625172"	359.022266	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Na-2H"	20.974666
"103890"	355.028663	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M-H+Cl"	33.962126
"546731"	524.052463	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M-H+Cl"	33.962126
"938057"	186.004863	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-H+Cl"	33.962126
"274427"	711.064602	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+Cl"	34.969402
"664662"	1049.112202	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+Cl"	34.969402
"1281445"	373.017002	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Cl"	34.969402
"21816"	713.043806	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M-2H+K"	36.948606
"469036"	1051.091406	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M-2H+K"	36.948606
"843555"	374.996206	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-2H+K"	36.948606
"1564854"	374.996206	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+K-2H"	36.948606
"947270"	383.045794	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-H+HCOOH"	44.998194
"365483"	721.093401	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+HCOOH-H"	44.998201
"352645"	735.109051	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+Hac-H"	59.013851
"1500384"	397.061451	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Hac-H"	59.013851
"960635"	405.027751	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-H+NaCOOH"	66.980151
"119018"	373.017002	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+2Cl"	69.938804
"559671"	542.040802	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+2Cl"	69.938804
"1025190"	203.993202	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2Cl"	69.938804
"1249142"	416.966485	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Br"	78.918885
"1311591"	419.022472	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Cl+HCOOH"	80.974872
"1320701"	441.004429	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Cl+NaCOOH"	102.956829
"915405"	451.033186	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M-H+CF3COOH"	112.985586
"1289690"	487.009864	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Cl+CF3COOH"	148.962264
"1368829"	303.034924	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H-2H2O"	-35.012676
"1386330"	321.0449	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H-H2O"	-17.0027
"286746"	677.102476	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+H"	1.007276
"683541"	1015.150076	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+H"	1.007276
"1365358"	339.054876	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H"	1.007276
"140438"	339.054876	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+2H"	2.014552
"573438"	508.078676	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+2H"	2.014552
"1045515"	170.031076	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2H"	2.014552
"216703"	226.372342666667	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+3H"	3.021828
"657368"	339.054876	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+3H"	3.021828
"1175126"	113.689809333333	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+3H"	3.021828
"437667"	694.129023	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+NH4"	18.033823
"799755"	1032.176623	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+NH4"	18.033823
"1690618"	356.081423	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+NH4"	18.033823
"339989"	347.5681495	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+H+NH4"	19.041099
"735694"	516.5919495	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+H+NH4"	19.041099
"1485140"	178.5443495	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H+NH4"	19.041099
"403818"	699.084418	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+Na"	22.989218
"761532"	1037.132018	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+Na"	22.989218
"1609631"	361.036818	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Na"	22.989218
"321856"	350.045847	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+H+Na"	23.996494
"715374"	519.069647	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+H+Na"	23.996494
"1472478"	181.022047	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H+Na"	23.996494
"1064632"	121.017123333333	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2H+Na"	25.00377
"1271412"	371.081086	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+CH3OH+H"	33.033486
"389989"	715.058358	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+K"	38.963158
"750619"	1053.105958	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+K"	38.963158
"1553398"	377.010758	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+K"	38.963158
"308388"	358.032817	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+H+K"	39.970434
"700810"	527.056617	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+H+K"	39.970434
"1455726"	189.009017	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H+K"	39.970434
"243234"	718.129026	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+ACN+H"	42.033826
"1222503"	380.081426	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+ACN+H"	42.033826
"1205294"	190.544351	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+ACN+2H"	43.041102
"199257"	721.06636	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+2Na-H"	44.97116
"641006"	1059.11396	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+2Na-H"	44.97116
"1136857"	383.01876	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2Na-H"	44.97116
"179417"	361.036818	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+2Na"	45.978436
"622258"	530.060618	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+2Na"	45.978436
"1120659"	192.013018	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2Na"	45.978436
"1407830"	128.344437333333	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H+2Na"	46.985712
"1438854"	385.060346	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H+HCOOH"	47.012746
"228551"	366.06984	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+3H2O+2H"	56.04448
"1514426"	399.11239	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+IsoProp+H"	61.06479
"420676"	369.023788	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+Na+K"	61.952376
"774014"	538.047588	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+Na+K"	61.952376
"1673636"	199.999988	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Na+K"	61.952376
"260156"	740.110968	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+ACN+Na"	64.015768
"1236145"	402.063368	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+ACN+Na"	64.015768
"1722844"	402.086893	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+NH4+HCOOH"	64.039293
"1189293"	135.671751333333	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+3Na"	68.967654
"1665468"	407.042288	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Na+HCOOH"	68.994688
"172374"	753.01424	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+2K-H"	76.91904
"608889"	1091.06184	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+2K-H"	76.91904
"1096687"	414.96664	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2K-H"	76.91904
"155447"	377.010758	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"2M+2K"	77.926316
"587591"	546.034558	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"3M+2K"	77.926316
"1083531"	207.986958	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2K"	77.926316
"1113941"	416.981192	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2K+H"	78.933592
"1349110"	417.068807	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+DMSO+H"	79.021207
"1018979"	421.107976	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2ACN+H"	83.060376
"1538198"	422.101608	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+IsoProp+Na+H"	84.054008
"1001363"	211.057626	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+2ACN+2H"	84.067652
"1599145"	423.016228	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+K+HCOOH"	84.968628
"1424806"	453.047738	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+H+CF3COOH"	115.000138
"1152906"	231.570901	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+3ACN+2H"	125.094202
"1706832"	470.074285	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+NH4+CF3COOH"	132.026685
"1644671"	475.02968	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+Na+CF3COOH"	136.98208
"1582508"	491.00362	"C19027"	"Chloropropylate"	"C17H16Cl2O3"	"338.0476"	"M+K+CF3COOH"	152.95602
"809594"	393.0025	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M"	0
"976564"	373.98411	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-H2O-H"	-19.01839
"64810"	260.994390666667	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M-3H"	-3.021828
"502848"	391.995224	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M-3H"	-3.021828
"882170"	129.993557333333	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-3H"	-3.021828
"97"	391.995224	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M-2H"	-2.014552
"440133"	588.496474	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M-2H"	-2.014552
"817134"	195.493974	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-2H"	-2.014552
"78690"	784.997724	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M-H"	-1.007276
"518586"	1178.000224	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M-H"	-1.007276
"895686"	391.995224	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-H"	-1.007276
"48866"	802.024271	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M-2H+NH4"	16.019271
"487689"	1195.026771	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M-2H+NH4"	16.019271
"864395"	409.021771	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-2H+NH4"	16.019271
"31471"	806.979666	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M-2H+Na"	20.974666
"471423"	1199.982166	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M-2H+Na"	20.974666
"848550"	413.977166	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-2H+Na"	20.974666
"1625282"	413.977166	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Na-2H"	20.974666
"104001"	409.983563	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M-H+Cl"	33.962126
"542468"	606.484813	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M-H+Cl"	33.962126
"935981"	213.482313	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-H+Cl"	33.962126
"274537"	820.974402	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+Cl"	34.969402
"663680"	1213.976902	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+Cl"	34.969402
"1278275"	427.971902	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Cl"	34.969402
"20833"	822.953606	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M-2H+K"	36.948606
"469145"	1215.956106	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M-2H+K"	36.948606
"843665"	429.951106	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-2H+K"	36.948606
"1563871"	429.951106	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+K-2H"	36.948606
"947380"	438.000694	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-H+HCOOH"	44.998194
"364500"	831.003201	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+HCOOH-H"	44.998201
"345800"	845.018851	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+Hac-H"	59.013851
"1499401"	452.016351	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Hac-H"	59.013851
"958922"	459.982651	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-H+NaCOOH"	66.980151
"113661"	427.971902	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+2Cl"	69.938804
"553221"	624.473152	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+2Cl"	69.938804
"1027487"	231.470652	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2Cl"	69.938804
"1249252"	471.921385	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Br"	78.918885
"1312794"	473.977372	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Cl+HCOOH"	80.974872
"1320811"	495.959329	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Cl+NaCOOH"	102.956829
"915515"	505.988086	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M-H+CF3COOH"	112.985586
"1290771"	541.964764	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Cl+CF3COOH"	148.962264
"1370762"	357.989824	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H-2H2O"	-35.012676
"1384983"	375.9998	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H-H2O"	-17.0027
"286856"	787.012276	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+H"	1.007276
"680371"	1180.014776	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+H"	1.007276
"1362188"	394.009776	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H"	1.007276
"139091"	394.009776	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+2H"	2.014552
"570268"	590.511026	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+2H"	2.014552
"1043438"	197.508526	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2H"	2.014552
"211341"	263.008942666667	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+3H"	3.021828
"658811"	394.009776	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+3H"	3.021828
"1176691"	132.008109333333	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+3H"	3.021828
"437410"	804.038823	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+NH4"	18.033823
"798044"	1197.041323	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+NH4"	18.033823
"1692915"	411.036323	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+NH4"	18.033823
"335726"	402.5230495	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+H+NH4"	19.041099
"734712"	599.0242995	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+H+NH4"	19.041099
"1484157"	206.0217995	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H+NH4"	19.041099
"403928"	808.994218	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+Na"	22.989218
"758363"	1201.996718	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+Na"	22.989218
"1606462"	415.991718	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Na"	22.989218
"321966"	405.000747	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+H+Na"	23.996494
"714391"	601.501997	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+H+Na"	23.996494
"1473681"	208.499497	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H+Na"	23.996494
"1059273"	139.335423333333	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2H+Na"	25.00377
"1267512"	426.035986	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+CH3OH+H"	33.033486
"389366"	824.968158	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+K"	38.963158
"751093"	1217.970658	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+K"	38.963158
"1549134"	431.965658	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+K"	38.963158
"304124"	412.987717	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+H+K"	39.970434
"703106"	609.488967	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+H+K"	39.970434
"1455835"	216.486467	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H+K"	39.970434
"244437"	828.038826	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+ACN+H"	42.033826
"1222613"	435.036326	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+ACN+H"	42.033826
"1204309"	218.021801	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+ACN+2H"	43.041102
"199367"	830.97616	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+2Na-H"	44.97116
"641116"	1223.97866	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+2Na-H"	44.97116
"1136967"	437.97366	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2Na-H"	44.97116
"179163"	415.991718	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+2Na"	45.978436
"623097"	612.492968	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+2Na"	45.978436
"1121863"	219.490468	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2Na"	45.978436
"1410127"	146.662737333333	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H+2Na"	46.985712
"1438964"	440.015246	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H+HCOOH"	47.012746
"227568"	421.02474	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+3H2O+2H"	56.04448
"1510525"	454.06729	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+IsoProp+H"	61.06479
"418599"	423.978688	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+Na+K"	61.952376
"773760"	620.479938	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+Na+K"	61.952376
"1674839"	227.477438	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Na+K"	61.952376
"261359"	850.020768	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+ACN+Na"	64.015768
"1235162"	457.018268	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+ACN+Na"	64.015768
"1725141"	457.041793	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+NH4+HCOOH"	64.039293
"1188310"	153.990051333333	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+3Na"	68.967654
"1665578"	461.997188	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Na+HCOOH"	68.994688
"172612"	862.92404	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+2K-H"	76.91904
"608999"	1255.92654	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+2K-H"	76.91904
"1098862"	469.92154	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2K-H"	76.91904
"156857"	431.965658	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"2M+2K"	77.926316
"587701"	628.466908	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"3M+2K"	77.926316
"1083928"	235.464408	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2K"	77.926316
"1111984"	471.936092	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2K+H"	78.933592
"1348248"	472.023707	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+DMSO+H"	79.021207
"1020062"	476.062876	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2ACN+H"	83.060376
"1538187"	477.056508	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+IsoProp+Na+H"	84.054008
"1001473"	238.535076	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+2ACN+2H"	84.067652
"1600349"	477.971128	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+K+HCOOH"	84.968628
"1424916"	508.002638	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+H+CF3COOH"	115.000138
"1153016"	259.048351	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+3ACN+2H"	125.094202
"1703661"	525.029185	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+NH4+CF3COOH"	132.026685
"1644781"	529.98458	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+Na+CF3COOH"	136.98208
"1582618"	545.95852	"C19028"	"Dialifor"	"C14H17ClNO4PS2"	"393.0025"	"M+K+CF3COOH"	152.95602
"812985"	373.9837	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M"	0
"979957"	354.96531	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-H2O-H"	-19.01839
"65284"	248.315190666667	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M-3H"	-3.021828
"504841"	372.976424	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M-3H"	-3.021828
"882280"	123.653957333333	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-3H"	-3.021828
"1090"	372.976424	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M-2H"	-2.014552
"441621"	559.968274	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M-2H"	-2.014552
"817599"	185.984574	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-2H"	-2.014552
"79655"	746.960124	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M-H"	-1.007276
"518853"	1120.943824	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M-H"	-1.007276
"896056"	372.976424	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-H"	-1.007276
"47637"	763.986671	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M-2H+NH4"	16.019271
"487513"	1137.970371	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M-2H+NH4"	16.019271
"864745"	390.002971	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-2H+NH4"	16.019271
"31916"	768.942066	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M-2H+Na"	20.974666
"471722"	1142.925766	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M-2H+Na"	20.974666
"849154"	394.958366	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-2H+Na"	20.974666
"1623205"	394.958366	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Na-2H"	20.974666
"105205"	390.964763	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M-H+Cl"	33.962126
"545858"	577.956613	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M-H+Cl"	33.962126
"934998"	203.972913	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-H+Cl"	33.962126
"273554"	782.936802	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+Cl"	34.969402
"663422"	1156.920502	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+Cl"	34.969402
"1282760"	408.953102	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Cl"	34.969402
"24223"	784.916006	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M-2H+K"	36.948606
"468531"	1158.899706	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M-2H+K"	36.948606
"847056"	410.932306	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-2H+K"	36.948606
"1568356"	410.932306	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+K-2H"	36.948606
"950770"	418.981894	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-H+HCOOH"	44.998194
"365704"	792.965601	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+HCOOH-H"	44.998201
"349586"	806.981251	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+Hac-H"	59.013851
"1496231"	432.997551	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Hac-H"	59.013851
"961584"	440.963851	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-H+NaCOOH"	66.980151
"113773"	408.953102	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+2Cl"	69.938804
"552235"	595.944952	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+2Cl"	69.938804
"1026866"	221.961252	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2Cl"	69.938804
"1252642"	452.902585	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Br"	78.918885
"1307799"	454.958572	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Cl+HCOOH"	80.974872
"1321650"	476.940529	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Cl+NaCOOH"	102.956829
"915992"	486.969286	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M-H+CF3COOH"	112.985586
"1290148"	522.945964	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Cl+CF3COOH"	148.962264
"1369049"	338.971024	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H-2H2O"	-35.012676
"1382940"	356.981	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H-H2O"	-17.0027
"284780"	748.974676	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+H"	1.007276
"684856"	1122.958376	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+H"	1.007276
"1357924"	374.990976	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H"	1.007276
"136284"	374.990976	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+2H"	2.014552
"573658"	561.982826	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+2H"	2.014552
"1045737"	187.999126	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2H"	2.014552
"214731"	250.329742666667	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+3H"	3.021828
"658677"	374.990976	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+3H"	3.021828
"1177165"	125.668509333333	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+3H"	3.021828
"431322"	766.001223	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+NH4"	18.033823
"796695"	1139.984923	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+NH4"	18.033823
"1690839"	392.017523	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+NH4"	18.033823
"336929"	383.5042495	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+H+NH4"	19.041099
"735915"	570.4960995	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+H+NH4"	19.041099
"1485360"	196.5123995	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H+NH4"	19.041099
"400759"	770.956618	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+Na"	22.989218
"757380"	1144.940318	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+Na"	22.989218
"1606572"	396.972918	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Na"	22.989218
"320985"	385.981947	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+H+Na"	23.996494
"711221"	572.973797	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+H+Na"	23.996494
"1472698"	198.990097	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H+Na"	23.996494
"1058290"	132.995823333333	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2H+Na"	25.00377
"1266529"	407.017186	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+CH3OH+H"	33.033486
"388385"	786.930558	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+K"	38.963158
"750474"	1160.914258	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+K"	38.963158
"1549248"	412.946858	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+K"	38.963158
"307515"	393.968917	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+H+K"	39.970434
"701032"	580.960767	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+H+K"	39.970434
"1455945"	206.977067	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H+K"	39.970434
"244548"	790.001226	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+ACN+H"	42.033826
"1220537"	416.017526	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+ACN+H"	42.033826
"1203328"	208.512401	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+ACN+2H"	43.041102
"194008"	792.93856	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+2Na-H"	44.97116
"637946"	1166.92226	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+2Na-H"	44.97116
"1140357"	418.95486	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2Na-H"	44.97116
"183648"	396.972918	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+2Na"	45.978436
"624301"	583.964768	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+2Na"	45.978436
"1122338"	209.981068	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2Na"	45.978436
"1409873"	140.323137333333	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H+2Na"	46.985712
"1439074"	420.996446	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H+HCOOH"	47.012746
"223305"	402.00594	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+3H2O+2H"	56.04448
"1510272"	435.04849	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+IsoProp+H"	61.06479
"412149"	404.959888	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+Na+K"	61.952376
"771682"	591.951738	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+Na+K"	61.952376
"1668746"	217.968038	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Na+K"	61.952376
"259282"	811.983168	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+ACN+Na"	64.015768
"1236366"	437.999468	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+ACN+Na"	64.015768
"1727318"	438.022993	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+NH4+HCOOH"	64.039293
"1190607"	147.650451333333	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+3Na"	68.967654
"1665570"	442.978388	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Na+HCOOH"	68.994688
"171739"	824.88644	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+2K-H"	76.91904
"612801"	1198.87014	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+2K-H"	76.91904
"1098000"	450.90274	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2K-H"	76.91904
"156991"	412.946858	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"2M+2K"	77.926316
"588904"	599.938708	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"3M+2K"	77.926316
"1084180"	225.955008	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2K"	77.926316
"1113067"	452.917292	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2K+H"	78.933592
"1349574"	453.004907	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+DMSO+H"	79.021207
"1019200"	457.044076	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2ACN+H"	83.060376
"1536232"	458.037708	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+IsoProp+Na+H"	84.054008
"999396"	229.025676	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+2ACN+2H"	84.067652
"1601433"	458.952328	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+K+HCOOH"	84.968628
"1425027"	488.983838	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+H+CF3COOH"	115.000138
"1159687"	249.538951	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+3ACN+2H"	125.094202
"1709239"	506.010385	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+NH4+CF3COOH"	132.026685
"1644891"	510.96578	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+Na+CF3COOH"	136.98208
"1582728"	526.93972	"C19029"	"Fenazaflor;Tarzol"	"C15H7Cl2F3N2O2"	"373.9837"	"M+K+CF3COOH"	152.95602
"809814"	267.9961	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M"	0
"977877"	248.97771	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-H2O-H"	-19.01839
"66123"	177.656790666667	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M-3H"	-3.021828
"504587"	266.988824	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M-3H"	-3.021828
"882390"	88.3247573333333	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-3H"	-3.021828
"1445"	266.988824	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M-2H"	-2.014552
"441003"	400.986874	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M-2H"	-2.014552
"818075"	132.990774	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-2H"	-2.014552
"79034"	534.984924	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M-H"	-1.007276
"519039"	802.981024	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M-H"	-1.007276
"896280"	266.988824	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-H"	-1.007276
"48596"	552.011471	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M-2H+NH4"	16.019271
"488885"	820.007571	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M-2H+NH4"	16.019271
"865467"	284.015371	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-2H+NH4"	16.019271
"31663"	556.966866	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M-2H+Na"	20.974666
"473175"	824.962966	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M-2H+Na"	20.974666
"849883"	288.970766	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-2H+Na"	20.974666
"1623315"	288.970766	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Na-2H"	20.974666
"104221"	284.977163	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M-H+Cl"	33.962126
"542687"	418.975213	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M-H+Cl"	33.962126
"932921"	150.979113	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-H+Cl"	33.962126
"272204"	570.961602	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+Cl"	34.969402
"663532"	838.957702	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+Cl"	34.969402
"1285057"	302.965502	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Cl"	34.969402
"23240"	572.940806	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M-2H+K"	36.948606
"468276"	840.936906	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M-2H+K"	36.948606
"846926"	304.944706	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-2H+K"	36.948606
"1567373"	304.944706	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+K-2H"	36.948606
"950880"	312.994294	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-H+HCOOH"	44.998194
"365814"	580.990401	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+HCOOH-H"	44.998201
"349695"	595.006051	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+Hac-H"	59.013851
"1494154"	327.009951	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Hac-H"	59.013851
"959872"	334.976251	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-H+NaCOOH"	66.980151
"116068"	302.965502	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+2Cl"	69.938804
"556722"	436.963552	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+2Cl"	69.938804
"1026614"	168.967452	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+2Cl"	69.938804
"1248378"	346.914985	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Br"	78.918885
"1306816"	348.970972	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Cl+HCOOH"	80.974872
"1322124"	370.952929	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Cl+NaCOOH"	102.956829
"916102"	380.981686	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M-H+CF3COOH"	112.985586
"1291716"	416.958364	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Cl+CF3COOH"	148.962264
"1369523"	232.983424	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+H-2H2O"	-35.012676
"1383297"	250.9934	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+H-H2O"	-17.0027
"285011"	536.999476	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+H"	1.007276
"684966"	804.995576	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+H"	1.007276
"1358034"	269.003376	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+H"	1.007276
"137488"	269.003376	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+2H"	2.014552
"573767"	403.001426	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+2H"	2.014552
"1043659"	135.005326	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+2H"	2.014552
"212653"	179.671342666667	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+3H"	3.021828
"658785"	269.003376	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+3H"	3.021828
"1175817"	90.3393093333333	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+3H"	3.021828
"430339"	554.026023	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+NH4"	18.033823
"796805"	822.022123	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+NH4"	18.033823
"1692042"	286.029923	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+NH4"	18.033823
"335946"	277.5166495	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+H+NH4"	19.041099
"734931"	411.5146995	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+H+NH4"	19.041099
"1485470"	143.5185995	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+H+NH4"	19.041099
"395402"	558.981418	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+Na"	22.989218
"755303"	826.977518	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+Na"	22.989218
"1606682"	290.985318	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+Na"	22.989218
"315019"	279.994347	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+H+Na"	23.996494
"711331"	413.992397	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+H+Na"	23.996494
"1471715"	145.996297	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+H+Na"	23.996494
"1058400"	97.6666233333333	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+2H+Na"	25.00377
"1266639"	301.029586	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+CH3OH+H"	33.033486
"387402"	574.955358	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"2M+K"	38.963158
"749491"	842.951458	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"3M+K"	38.963158
"1549358"	306.959258	"C19030"	"Fenson"	"C12H9ClO3S"	"267.9961"	"M+K"	38.963158
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"1019418"	341.165976	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+2ACN+H"	83.060376
"1537547"	342.159608	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+IsoProp+Na+H"	84.054008
"1001806"	171.086626	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+2ACN+2H"	84.067652
"1598495"	343.074228	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+K+HCOOH"	84.968628
"1427436"	373.105738	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+H+CF3COOH"	115.000138
"1157722"	191.599901	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+3ACN+2H"	125.094202
"1708367"	390.132285	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+NH4+CF3COOH"	132.026685
"1645111"	395.08768	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+Na+CF3COOH"	136.98208
"1582948"	411.06162	"C19031"	"Fluenetil"	"C16H15FO2"	"258.1056"	"M+K+CF3COOH"	152.95602
"806754"	321.8944	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M"	0
"978097"	302.87601	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-H2O-H"	-19.01839
"67436"	213.588990666667	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M-3H"	-3.021828
"505903"	320.887124	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M-3H"	-3.021828
"882610"	106.290857333333	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-3H"	-3.021828
"818"	320.887124	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M-2H"	-2.014552
"440208"	481.834324	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M-2H"	-2.014552
"817692"	159.939924	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-2H"	-2.014552
"78712"	642.781524	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M-H"	-1.007276
"518648"	964.675924	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M-H"	-1.007276
"896380"	320.887124	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-H"	-1.007276
"48817"	659.808071	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M-2H+NH4"	16.019271
"487396"	981.702471	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M-2H+NH4"	16.019271
"866908"	337.913671	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-2H+NH4"	16.019271
"34444"	664.763466	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M-2H+Na"	20.974666
"472184"	986.657866	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M-2H+Na"	20.974666
"849984"	342.869066	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-2H+Na"	20.974666
"1625723"	342.869066	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Na-2H"	20.974666
"100067"	338.875463	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M-H+Cl"	33.962126
"539628"	499.822663	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M-H+Cl"	33.962126
"932048"	177.928263	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-H+Cl"	33.962126
"271696"	678.758202	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+Cl"	34.969402
"663028"	1000.652602	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+Cl"	34.969402
"1286978"	356.863802	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Cl"	34.969402
"27833"	680.737406	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M-2H+K"	36.948606
"471234"	1002.631806	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M-2H+K"	36.948606
"846293"	358.843006	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-2H+K"	36.948606
"1566499"	358.843006	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+K-2H"	36.948606
"956205"	366.892594	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-H+HCOOH"	44.998194
"370409"	688.787001	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+HCOOH-H"	44.998201
"357571"	702.802651	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+Hac-H"	59.013851
"1497655"	380.908251	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Hac-H"	59.013851
"961916"	388.874551	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-H+NaCOOH"	66.980151
"116291"	356.863802	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+2Cl"	69.938804
"558037"	517.811002	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+2Cl"	69.938804
"1025742"	195.916602	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2Cl"	69.938804
"1247506"	400.813285	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Br"	78.918885
"1308132"	402.869272	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Cl+HCOOH"	80.974872
"1325264"	424.851229	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Cl+NaCOOH"	102.956829
"914136"	434.879986	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M-H+CF3COOH"	112.985586
"1289750"	470.856664	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Cl+CF3COOH"	148.962264
"1375575"	286.881724	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H-2H2O"	-35.012676
"1385421"	304.8917	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H-H2O"	-17.0027
"286201"	644.796076	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+H"	1.007276
"688102"	966.690476	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+H"	1.007276
"1359347"	322.901676	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H"	1.007276
"138436"	322.901676	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+2H"	2.014552
"573987"	483.848876	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+2H"	2.014552
"1050441"	161.954476	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2H"	2.014552
"213965"	215.603542666667	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+3H"	3.021828
"658277"	322.901676	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+3H"	3.021828
"1176403"	108.305409333333	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+3H"	3.021828
"436027"	661.822623	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+NH4"	18.033823
"795931"	983.717023	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+NH4"	18.033823
"1690075"	339.928223	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+NH4"	18.033823
"334340"	331.4149495	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+H+NH4"	19.041099
"735516"	492.3621495	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+H+NH4"	19.041099
"1484597"	170.4677495	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H+NH4"	19.041099
"397809"	666.778018	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+Na"	22.989218
"756614"	988.672418	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+Na"	22.989218
"1607995"	344.883618	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Na"	22.989218
"315116"	333.892647	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+H+Na"	23.996494
"711551"	494.839847	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+H+Na"	23.996494
"1471935"	172.945447	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H+Na"	23.996494
"1060806"	115.632723333333	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2H+Na"	25.00377
"1265764"	354.927886	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+CH3OH+H"	33.033486
"387621"	682.751958	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+K"	38.963158
"749711"	1004.646358	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+K"	38.963158
"1550673"	360.857558	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+K"	38.963158
"304930"	341.879617	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+H+K"	39.970434
"699176"	502.826817	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+H+K"	39.970434
"1452997"	180.932417	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H+K"	39.970434
"242691"	685.822626	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+ACN+H"	42.033826
"1217586"	363.928226	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+ACN+H"	42.033826
"1203658"	182.467751	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+ACN+2H"	43.041102
"193973"	688.75996	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+2Na-H"	44.97116
"637182"	1010.65436	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+2Na-H"	44.97116
"1142875"	366.86556	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2Na-H"	44.97116
"182885"	344.883618	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+2Na"	45.978436
"625725"	505.830818	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+2Na"	45.978436
"1120845"	183.936418	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2Na"	45.978436
"1404005"	122.960037333333	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H+2Na"	46.985712
"1436119"	368.907146	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H+HCOOH"	47.012746
"223635"	349.91664	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+3H2O+2H"	56.04448
"1512791"	382.95919	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+IsoProp+H"	61.06479
"413572"	352.870588	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+Na+K"	61.952376
"773108"	513.817788	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+Na+K"	61.952376
"1674180"	191.923388	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Na+K"	61.952376
"258520"	707.804568	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+ACN+Na"	64.015768
"1232321"	385.910168	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+ACN+Na"	64.015768
"1722301"	385.933693	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+NH4+HCOOH"	64.039293
"1184376"	130.287351333333	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+3Na"	68.967654
"1665375"	390.889088	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Na+HCOOH"	68.994688
"171829"	720.70784	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+2K-H"	76.91904
"612405"	1042.60224	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+2K-H"	76.91904
"1099387"	398.81344	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2K-H"	76.91904
"156242"	360.857558	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"2M+2K"	77.926316
"591421"	521.804758	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"3M+2K"	77.926316
"1083474"	199.910358	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2K"	77.926316
"1114492"	400.827992	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2K+H"	78.933592
"1348810"	400.915607	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+DMSO+H"	79.021207
"1020621"	404.954776	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2ACN+H"	83.060376
"1537657"	405.948408	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+IsoProp+Na+H"	84.054008
"1003010"	202.981026	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+2ACN+2H"	84.067652
"1601888"	406.863028	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+K+HCOOH"	84.968628
"1428275"	436.894538	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+H+CF3COOH"	115.000138
"1157832"	223.494301	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+3ACN+2H"	125.094202
"1707384"	453.921085	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+NH4+CF3COOH"	132.026685
"1645221"	458.87648	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+Na+CF3COOH"	136.98208
"1583058"	474.85042	"C19032"	"Tetrasul"	"C12H6Cl4S"	"321.8944"	"M+K+CF3COOH"	152.95602
"812332"	75.9441	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M"	0
"980396"	56.92571	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-H2O-H"	-19.01839
"66453"	49.622124	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M-3H"	-3.021828
"504920"	74.936824	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M-3H"	-3.021828
"881627"	24.307424	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-3H"	-3.021828
"644"	74.936824	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M-2H"	-2.014552
"440113"	112.908874	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M-2H"	-2.014552
"818289"	36.964774	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-2H"	-2.014552
"79043"	150.880924	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M-H"	-1.007276
"518920"	226.825024	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M-H"	-1.007276
"896371"	74.936824	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-H"	-1.007276
"50387"	167.907471	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M-2H+NH4"	16.019271
"487303"	243.851571	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M-2H+NH4"	16.019271
"864952"	91.963371	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-2H+NH4"	16.019271
"34555"	172.862866	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M-2H+Na"	20.974666
"473145"	248.806966	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M-2H+Na"	20.974666
"850823"	96.918766	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-2H+Na"	20.974666
"1625833"	96.918766	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Na-2H"	20.974666
"102364"	92.925163	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M-H+Cl"	33.962126
"536458"	130.897213	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M-H+Cl"	33.962126
"933251"	54.953113	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-H+Cl"	33.962126
"269619"	186.857602	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+Cl"	34.969402
"663138"	262.801702	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+Cl"	34.969402
"1284292"	110.913502	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Cl"	34.969402
"30133"	188.836806	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M-2H+K"	36.948606
"470424"	264.780906	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M-2H+K"	36.948606
"843122"	112.892706	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-2H+K"	36.948606
"1565515"	112.892706	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+K-2H"	36.948606
"953398"	120.942294	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-H+HCOOH"	44.998194
"367239"	196.886401	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+HCOOH-H"	44.998201
"346218"	210.902051	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+Hac-H"	59.013851
"1494362"	134.957951	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Hac-H"	59.013851
"960203"	142.924251	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-H+NaCOOH"	66.980151
"114213"	110.913502	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+2Cl"	69.938804
"553774"	148.885552	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+2Cl"	69.938804
"1022936"	72.941452	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2Cl"	69.938804
"1244336"	154.862985	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Br"	78.918885
"1307148"	156.918972	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Cl+HCOOH"	80.974872
"1321000"	178.900929	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Cl+NaCOOH"	102.956829
"911775"	188.929686	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M-H+CF3COOH"	112.985586
"1289860"	224.906364	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Cl+CF3COOH"	148.962264
"1372405"	40.931424	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H-2H2O"	-35.012676
"1385531"	58.9414	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H-H2O"	-17.0027
"284124"	152.895476	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+H"	1.007276
"688576"	228.839576	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+H"	1.007276
"1359457"	76.951376	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H"	1.007276
"138910"	76.951376	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+2H"	2.014552
"577013"	114.923426	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+2H"	2.014552
"1049460"	38.979326	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2H"	2.014552
"215169"	51.636676	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+3H"	3.021828
"658021"	76.951376	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+3H"	3.021828
"1176148"	26.321976	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+3H"	3.021828
"436137"	169.922023	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+NH4"	18.033823
"796041"	245.866123	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+NH4"	18.033823
"1690185"	93.977923	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+NH4"	18.033823
"333357"	85.4646495	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+H+NH4"	19.041099
"734168"	123.4366995	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+H+NH4"	19.041099
"1484707"	47.4925995	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H+NH4"	19.041099
"395367"	174.877418	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+Na"	22.989218
"756360"	250.821518	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+Na"	22.989218
"1606280"	98.933318	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Na"	22.989218
"318143"	87.942347	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+H+Na"	23.996494
"711661"	125.914397	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+H+Na"	23.996494
"1467669"	49.970297	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H+Na"	23.996494
"1062009"	33.64929	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2H+Na"	25.00377
"1268060"	108.977586	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+CH3OH+H"	33.033486
"386636"	190.851358	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+K"	38.963158
"748725"	266.795458	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+K"	38.963158
"1549693"	114.907258	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+K"	38.963158
"306866"	95.929317	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+H+K"	39.970434
"700379"	133.901367	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+H+K"	39.970434
"1455295"	57.957267	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H+K"	39.970434
"244990"	193.922026	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+ACN+H"	42.033826
"1216604"	117.977926	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+ACN+H"	42.033826
"1202675"	59.492601	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+ACN+2H"	43.041102
"191166"	196.85936	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+2Na-H"	44.97116
"635104"	272.80346	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+2Na-H"	44.97116
"1137515"	120.91526	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2Na-H"	44.97116
"179712"	98.933318	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+2Na"	45.978436
"620366"	136.905368	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+2Na"	45.978436
"1117307"	60.961268	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2Na"	45.978436
"1403018"	40.976604	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H+2Na"	46.985712
"1432217"	122.956846	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H+HCOOH"	47.012746
"227025"	103.96634	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+3H2O+2H"	56.04448
"1516181"	137.00889	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+IsoProp+H"	61.06479
"414776"	106.920288	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+Na+K"	61.952376
"774677"	144.892338	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+Na+K"	61.952376
"1673197"	68.948238	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Na+K"	61.952376
"258630"	215.903968	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+ACN+Na"	64.015768
"1233524"	139.959868	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+ACN+Na"	64.015768
"1723504"	139.983393	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+NH4+HCOOH"	64.039293
"1188497"	48.303918	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+3Na"	68.967654
"1665371"	144.938788	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Na+HCOOH"	68.994688
"171815"	228.80724	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+2K-H"	76.91904
"611944"	304.75134	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+2K-H"	76.91904
"1099819"	152.86314	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2K-H"	76.91904
"154162"	114.907258	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"2M+2K"	77.926316
"591532"	152.879308	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"3M+2K"	77.926316
"1083581"	76.935208	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2K"	77.926316
"1114726"	154.877692	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2K+H"	78.933592
"1348920"	154.965307	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+DMSO+H"	79.021207
"1019638"	159.004476	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2ACN+H"	83.060376
"1537767"	159.998108	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+IsoProp+Na+H"	84.054008
"1003121"	80.005876	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+2ACN+2H"	84.067652
"1601757"	160.912728	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+K+HCOOH"	84.968628
"1425469"	190.944238	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+H+CF3COOH"	115.000138
"1160130"	100.519151	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+3ACN+2H"	125.094202
"1710775"	207.970785	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+NH4+CF3COOH"	132.026685
"1649791"	212.92618	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+Na+CF3COOH"	136.98208
"1583168"	228.90012	"C19033"	"Carbon disulfide"	"CS2"	"75.9441"	"M+K+CF3COOH"	152.95602
"810254"	111.9847	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M"	0
"981600"	92.96631	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-H2O-H"	-19.01839
"69845"	73.6491906666667	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M-3H"	-3.021828
"509405"	110.977424	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M-3H"	-3.021828
"882830"	36.3209573333333	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-3H"	-3.021828
"2496"	110.977424	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M-2H"	-2.014552
"442058"	166.969774	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M-2H"	-2.014552
"819492"	54.985074	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-2H"	-2.014552
"79036"	222.962124	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M-H"	-1.007276
"519645"	334.946824	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M-H"	-1.007276
"896724"	110.977424	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-H"	-1.007276
"47933"	239.988671	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M-2H+NH4"	16.019271
"488223"	351.973371	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M-2H+NH4"	16.019271
"865054"	128.003971	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-2H+NH4"	16.019271
"33572"	244.944066	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M-2H+Na"	20.974666
"473134"	356.928766	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M-2H+Na"	20.974666
"852030"	132.959366	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-2H+Na"	20.974666
"1628131"	132.959366	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Na-2H"	20.974666
"103568"	128.965763	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M-H+Cl"	33.962126
"545316"	184.958113	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M-H+Cl"	33.962126
"933361"	72.973413	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-H+Cl"	33.962126
"274105"	258.938802	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+Cl"	34.969402
"666528"	370.923502	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+Cl"	34.969402
"1283311"	146.954102	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Cl"	34.969402
"26963"	260.918006	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M-2H+K"	36.948606
"469443"	372.902706	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M-2H+K"	36.948606
"846149"	148.933306	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-2H+K"	36.948606
"1568906"	148.933306	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+K-2H"	36.948606
"953508"	156.982894	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-H+HCOOH"	44.998194
"370629"	268.967601	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+HCOOH-H"	44.998201
"356698"	282.983251	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+Hac-H"	59.013851
"1504437"	170.998551	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Hac-H"	59.013851
"965417"	178.964851	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-H+NaCOOH"	66.980151
"121978"	146.954102	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+2Cl"	69.938804
"561538"	202.946452	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+2Cl"	69.938804
"1029242"	90.961752	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2Cl"	69.938804
"1249914"	190.903585	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Br"	78.918885
"1312363"	192.959572	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Cl+HCOOH"	80.974872
"1325485"	214.941529	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Cl+NaCOOH"	102.956829
"913264"	224.970286	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M-H+CF3COOH"	112.985586
"1295438"	260.946964	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Cl+CF3COOH"	148.962264
"1374702"	76.972024	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H-2H2O"	-35.012676
"1391107"	94.982	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H-H2O"	-17.0027
"295168"	224.976676	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+H"	1.007276
"685406"	336.961376	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+H"	1.007276
"1356286"	112.991976	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H"	1.007276
"137933"	112.991976	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+2H"	2.014552
"577856"	168.984326	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+2H"	2.014552
"1050910"	56.999626	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2H"	2.014552
"217472"	75.6637426666667	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+3H"	3.021828
"657894"	112.991976	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+3H"	3.021828
"1176626"	38.3355093333333	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+3H"	3.021828
"436250"	242.003223	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+NH4"	18.033823
"795793"	353.987923	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+NH4"	18.033823
"1690302"	130.018523	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+NH4"	18.033823
"340034"	121.5052495	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+H+NH4"	19.041099
"734644"	177.4975995	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+H+NH4"	19.041099
"1489922"	65.5128995	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H+NH4"	19.041099
"395844"	246.958618	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+Na"	22.989218
"760119"	358.943318	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+Na"	22.989218
"1609311"	134.973918	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Na"	22.989218
"319348"	123.982947	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+H+Na"	23.996494
"717243"	179.975297	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+H+Na"	23.996494
"1472519"	67.990597	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H+Na"	23.996494
"1058843"	45.6628233333333	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2H+Na"	25.00377
"1263800"	145.018186	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+CH3OH+H"	33.033486
"384560"	262.932558	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+K"	38.963158
"746647"	374.917258	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+K"	38.963158
"1548697"	150.947858	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+K"	38.963158
"306966"	131.969917	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+H+K"	39.970434
"698296"	187.962267	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+H+K"	39.970434
"1453211"	75.977567	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H+K"	39.970434
"248381"	266.003226	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+ACN+H"	42.033826
"1223278"	154.018526	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+ACN+H"	42.033826
"1204973"	77.512901	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+ACN+2H"	43.041102
"200030"	268.94056	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+2Na-H"	44.97116
"639589"	380.92526	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+2Na-H"	44.97116
"1139814"	156.95586	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2Na-H"	44.97116
"185170"	134.973918	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+2Na"	45.978436
"618655"	190.966268	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+2Na"	45.978436
"1127264"	78.981568	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2Na"	45.978436
"1409693"	52.9901373333333	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H+2Na"	46.985712
"1440715"	158.997446	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H+HCOOH"	47.012746
"228228"	140.00694	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+3H2O+2H"	56.04448
"1515196"	173.04949	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+IsoProp+H"	61.06479
"413794"	142.960888	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+Na+K"	61.952376
"775882"	198.953238	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+Na+K"	61.952376
"1676955"	86.968538	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Na+K"	61.952376
"260925"	287.985168	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+ACN+Na"	64.015768
"1235823"	176.000468	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+ACN+Na"	64.015768
"1724709"	176.023993	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+NH4+HCOOH"	64.039293
"1188971"	60.3174513333333	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+3Na"	68.967654
"1663606"	180.979388	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Na+HCOOH"	68.994688
"170104"	300.88844	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+2K-H"	76.91904
"604196"	412.87314	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+2K-H"	76.91904
"1089803"	188.90374	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2K-H"	76.91904
"147713"	150.947858	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"2M+2K"	77.926316
"592740"	206.940208	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"3M+2K"	77.926316
"1078345"	94.955508	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2K"	77.926316
"1111554"	190.918292	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2K+H"	78.933592
"1346845"	191.005907	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+DMSO+H"	79.021207
"1015375"	195.045076	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2ACN+H"	83.060376
"1532409"	196.038708	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+IsoProp+Na+H"	84.054008
"998856"	98.026176	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+2ACN+2H"	84.067652
"1599921"	196.953328	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+K+HCOOH"	84.968628
"1427768"	226.984838	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+H+CF3COOH"	115.000138
"1160240"	118.539451	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+3ACN+2H"	125.094202
"1710885"	244.011385	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+NH4+CF3COOH"	132.026685
"1649820"	248.96678	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+Na+CF3COOH"	136.98208
"1583278"	264.94072	"C19034"	"12-Dichloropropane"	"C3H6Cl2"	"111.9847"	"M+K+CF3COOH"	152.95602
"803803"	200.0715	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M"	0
"978429"	181.05311	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-H2O-H"	-19.01839
"66674"	132.373724	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M-3H"	-3.021828
"508422"	199.064224	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M-3H"	-3.021828
"882940"	65.683224	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-3H"	-3.021828
"1269"	199.064224	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M-2H"	-2.014552
"442532"	299.099974	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M-2H"	-2.014552
"818265"	99.028474	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-2H"	-2.014552
"78851"	399.135724	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M-H"	-1.007276
"518699"	599.207224	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M-H"	-1.007276
"896834"	199.064224	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-H"	-1.007276
"47392"	416.162271	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M-2H+NH4"	16.019271
"487877"	616.233771	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M-2H+NH4"	16.019271
"864912"	216.090771	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-2H+NH4"	16.019271
"34775"	421.117666	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M-2H+Na"	20.974666
"476525"	621.189166	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M-2H+Na"	20.974666
"852140"	221.046166	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-2H+Na"	20.974666
"1621676"	221.046166	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Na-2H"	20.974666
"104771"	217.052563	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M-H+Cl"	33.962126
"545426"	317.088313	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M-H+Cl"	33.962126
"932378"	117.016813	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-H+Cl"	33.962126
"273122"	435.112402	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+Cl"	34.969402
"666638"	635.183902	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+Cl"	34.969402
"1284151"	235.040902	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Cl"	34.969402
"25979"	437.091606	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M-2H+K"	36.948606
"468823"	637.163106	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M-2H+K"	36.948606
"841156"	237.020106	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-2H+K"	36.948606
"1563549"	237.020106	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+K-2H"	36.948606
"948150"	245.069694	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-H+HCOOH"	44.998194
"367459"	445.141201	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+HCOOH-H"	44.998201
"356444"	459.156851	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+Hac-H"	59.013851
"1503452"	259.085351	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Hac-H"	59.013851
"966620"	267.051651	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-H+NaCOOH"	66.980151
"123182"	235.040902	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+2Cl"	69.938804
"560555"	335.076652	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+2Cl"	69.938804
"1029352"	135.005152	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2Cl"	69.938804
"1251119"	278.990385	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Br"	78.918885
"1312473"	281.046372	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Cl+HCOOH"	80.974872
"1325595"	303.028329	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Cl+NaCOOH"	102.956829
"912280"	313.057086	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M-H+CF3COOH"	112.985586
"1293360"	349.033764	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Cl+CF3COOH"	148.962264
"1369344"	165.058824	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H-2H2O"	-35.012676
"1385019"	183.0688	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H-H2O"	-17.0027
"290903"	401.150276	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+H"	1.007276
"683323"	601.221776	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+H"	1.007276
"1354207"	201.078776	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H"	1.007276
"139135"	201.078776	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+2H"	2.014552
"577966"	301.114526	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+2H"	2.014552
"1050777"	101.043026	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2H"	2.014552
"217946"	134.388276	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+3H"	3.021828
"654594"	201.078776	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+3H"	3.021828
"1174176"	67.697776	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+3H"	3.021828
"438183"	418.176823	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+NH4"	18.033823
"796998"	618.248323	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+NH4"	18.033823
"1691505"	218.105323	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+NH4"	18.033823
"340143"	209.5920495	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+H+NH4"	19.041099
"732199"	309.6277995	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+H+NH4"	19.041099
"1489668"	109.5562995	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H+NH4"	19.041099
"401057"	423.132218	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+Na"	22.989218
"762781"	623.203718	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+Na"	22.989218
"1612336"	223.060718	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Na"	22.989218
"325655"	212.069747	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+H+Na"	23.996494
"715532"	312.105497	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+H+Na"	23.996494
"1470080"	112.033997	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H+Na"	23.996494
"1061139"	75.02509	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2H+Na"	25.00377
"1265003"	233.104986	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+CH3OH+H"	33.033486
"386856"	439.106158	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+K"	38.963158
"747850"	639.177658	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+K"	38.963158
"1548808"	239.034658	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+K"	38.963158
"308170"	220.056717	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+H+K"	39.970434
"697313"	320.092467	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+H+K"	39.970434
"1451136"	120.020967	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H+K"	39.970434
"250314"	442.176826	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+ACN+H"	42.033826
"1223388"	242.105326	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+ACN+H"	42.033826
"1206176"	121.556301	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+ACN+2H"	43.041102
"200140"	445.11416	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+2Na-H"	44.97116
"640793"	645.18566	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+2Na-H"	44.97116
"1144298"	245.04266	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2Na-H"	44.97116
"185767"	223.060718	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+2Na"	45.978436
"624961"	323.096468	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+2Na"	45.978436
"1128467"	123.024968	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2Na"	45.978436
"1409804"	82.352404	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H+2Na"	46.985712
"1437545"	247.084246	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H+HCOOH"	47.012746
"230525"	228.09374	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+3H2O+2H"	56.04448
"1515306"	261.13629	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+IsoProp+H"	61.06479
"418278"	231.047688	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+Na+K"	61.952376
"778179"	331.083438	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+Na+K"	61.952376
"1677794"	131.011938	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Na+K"	61.952376
"258849"	464.158768	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+ACN+Na"	64.015768
"1238119"	264.087268	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+ACN+Na"	64.015768
"1724819"	264.110793	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+NH4+HCOOH"	64.039293
"1191633"	89.679718	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+3Na"	68.967654
"1663473"	269.066188	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Na+HCOOH"	68.994688
"170215"	477.06204	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+2K-H"	76.91904
"609775"	677.13354	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+2K-H"	76.91904
"1092100"	276.99054	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2K-H"	76.91904
"155477"	239.034658	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"2M+2K"	77.926316
"593943"	339.070408	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"3M+2K"	77.926316
"1081735"	138.998908	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2K"	77.926316
"1115069"	279.005092	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2K+H"	78.933592
"1348777"	279.092707	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+DMSO+H"	79.021207
"1019856"	283.131876	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2ACN+H"	83.060376
"1536892"	284.125508	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+IsoProp+Na+H"	84.054008
"998967"	142.069576	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+2ACN+2H"	84.067652
"1602097"	285.040128	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+K+HCOOH"	84.968628
"1427878"	315.071638	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+H+CF3COOH"	115.000138
"1159986"	162.582851	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+3ACN+2H"	125.094202
"1710995"	332.098185	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+NH4+CF3COOH"	132.026685
"1649727"	337.05358	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+Na+CF3COOH"	136.98208
"1583388"	353.02752	"C19035"	"Diamidafos;Nellite"	"C8H13N2O2P"	"200.0715"	"M+K+CF3COOH"	152.95602
"801726"	248.0384	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M"	0
"979632"	229.02001	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-H2O-H"	-19.01839
"66783"	164.351657333333	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M-3H"	-3.021828
"506343"	247.031124	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M-3H"	-3.021828
"881228"	81.6721906666667	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-3H"	-3.021828
"769"	247.031124	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M-2H"	-2.014552
"441184"	371.050324	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M-2H"	-2.014552
"817642"	123.011924	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-2H"	-2.014552
"78843"	495.069524	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M-H"	-1.007276
"519136"	743.107924	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M-H"	-1.007276
"896004"	247.031124	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-H"	-1.007276
"47545"	512.096071	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M-2H+NH4"	16.019271
"487143"	760.134471	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M-2H+NH4"	16.019271
"865147"	264.057671	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-2H+NH4"	16.019271
"32941"	517.051466	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M-2H+Na"	20.974666
"474569"	765.089866	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M-2H+Na"	20.974666
"854437"	269.013066	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-2H+Na"	20.974666
"1619959"	269.013066	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Na-2H"	20.974666
"105974"	265.019463	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M-H+Cl"	33.962126
"543347"	389.038663	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M-H+Cl"	33.962126
"932120"	141.000263	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-H+Cl"	33.962126
"274325"	531.046202	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+Cl"	34.969402
"671122"	779.084602	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+Cl"	34.969402
"1285719"	283.007802	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Cl"	34.969402
"27182"	533.025406	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M-2H+K"	36.948606
"470026"	781.063806	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M-2H+K"	36.948606
"841266"	284.987006	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-2H+K"	36.948606
"1569127"	284.987006	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+K-2H"	36.948606
"950447"	293.036594	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-H+HCOOH"	44.998194
"373036"	541.075001	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+HCOOH-H"	44.998201
"358012"	555.090651	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+Hac-H"	59.013851
"1505386"	307.052251	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Hac-H"	59.013851
"972927"	315.018551	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-H+NaCOOH"	66.980151
"124021"	283.007802	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+2Cl"	69.938804
"560665"	407.027002	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+2Cl"	69.938804
"1029462"	158.988602	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2Cl"	69.938804
"1252322"	326.957285	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Br"	78.918885
"1312583"	329.013272	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Cl+HCOOH"	80.974872
"1325704"	350.995229	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Cl+NaCOOH"	102.956829
"912390"	361.023986	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M-H+CF3COOH"	112.985586
"1293470"	397.000664	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Cl+CF3COOH"	148.962264
"1378202"	213.025724	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H-2H2O"	-35.012676
"1386951"	231.0357	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H-H2O"	-17.0027
"294294"	497.084076	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+H"	1.007276
"685620"	745.122476	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+H"	1.007276
"1357598"	249.045676	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H"	1.007276
"137786"	249.045676	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+2H"	2.014552
"578805"	373.064876	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+2H"	2.014552
"1051130"	125.026476	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2H"	2.014552
"218058"	166.366209333333	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+3H"	3.021828
"656891"	249.045676	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+3H"	3.021828
"1174286"	83.6867426666667	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+3H"	3.021828
"436832"	514.110623	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+NH4"	18.033823
"799294"	762.149023	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+NH4"	18.033823
"1694893"	266.072223	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+NH4"	18.033823
"342075"	257.5589495	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+H+NH4"	19.041099
"727935"	381.5781495	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+H+NH4"	19.041099
"1489413"	133.5397495	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H+NH4"	19.041099
"401531"	519.066018	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+Na"	22.989218
"763619"	767.104418	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+Na"	22.989218
"1609530"	271.027618	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Na"	22.989218
"322849"	260.036647	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+H+Na"	23.996494
"721716"	384.055847	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+H+Na"	23.996494
"1475534"	136.017447	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H+Na"	23.996494
"1066713"	91.0140566666667	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2H+Na"	25.00377
"1269485"	281.071886	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+CH3OH+H"	33.033486
"388059"	535.039958	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+K"	38.963158
"746866"	783.078358	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+K"	38.963158
"1547825"	287.001558	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+K"	38.963158
"305001"	268.023617	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+H+K"	39.970434
"694143"	392.042817	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+H+K"	39.970434
"1454526"	144.004417	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H+K"	39.970434
"240941"	538.110626	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+ACN+H"	42.033826
"1222405"	290.072226	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+ACN+H"	42.033826
"1205193"	145.539751	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+ACN+2H"	43.041102
"200250"	541.04796	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+2Na-H"	44.97116
"641996"	789.08636	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+2Na-H"	44.97116
"1144408"	293.00956	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2Na-H"	44.97116
"187336"	271.027618	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+2Na"	45.978436
"623978"	395.046818	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+2Na"	45.978436
"1128577"	147.008418	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2Na"	45.978436
"1404445"	98.3413706666667	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H+2Na"	46.985712
"1438748"	295.051146	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H+HCOOH"	47.012746
"225162"	276.06064	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+3H2O+2H"	56.04448
"1516505"	309.10319	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+IsoProp+H"	61.06479
"418380"	279.014588	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+Na+K"	61.952376
"779375"	403.033788	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+Na+K"	61.952376
"1677894"	154.995388	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Na+K"	61.952376
"262239"	560.092568	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+ACN+Na"	64.015768
"1238230"	312.054168	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+ACN+Na"	64.015768
"1727845"	312.077693	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+NH4+HCOOH"	64.039293
"1191378"	105.668684666667	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+3Na"	68.967654
"1663460"	317.033088	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Na+HCOOH"	68.994688
"167043"	572.99584	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+2K-H"	76.91904
"604417"	821.03424	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+2K-H"	76.91904
"1092209"	324.95744	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2K-H"	76.91904
"150120"	287.001558	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"2M+2K"	77.926316
"590772"	411.020758	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"3M+2K"	77.926316
"1080751"	162.982358	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2K"	77.926316
"1114691"	326.971992	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2K+H"	78.933592
"1349860"	327.059607	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+DMSO+H"	79.021207
"1016686"	331.098776	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2ACN+H"	83.060376
"1537002"	332.092408	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+IsoProp+Na+H"	84.054008
"1001261"	166.053026	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+2ACN+2H"	84.067652
"1601233"	333.007028	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+K+HCOOH"	84.968628
"1426895"	363.038538	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+H+CF3COOH"	115.000138
"1159367"	186.566301	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+3ACN+2H"	125.094202
"1710011"	380.065085	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+NH4+CF3COOH"	132.026685
"1649555"	385.02048	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+Na+CF3COOH"	136.98208
"1580218"	400.99442	"C19036"	"Thionazin"	"C8H13N2O3PS"	"248.0384"	"M+K+CF3COOH"	152.95602
"804023"	238.1237	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M"	0
"975732"	219.10531	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-H2O-H"	-19.01839
"66893"	157.741857333333	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M-3H"	-3.021828
"506453"	237.116424	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M-3H"	-3.021828
"883526"	78.3672906666667	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-3H"	-3.021828
"2464"	237.116424	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M-2H"	-2.014552
"440804"	356.178274	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M-2H"	-2.014552
"817999"	118.054574	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-2H"	-2.014552
"78754"	475.240124	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M-H"	-1.007276
"518592"	713.363824	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M-H"	-1.007276
"895909"	237.116424	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-H"	-1.007276
"47184"	492.266671	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M-2H+NH4"	16.019271
"487259"	730.390371	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M-2H+NH4"	16.019271
"864685"	254.142971	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-2H+NH4"	16.019271
"32928"	497.222066	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M-2H+Na"	20.974666
"474923"	735.345766	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M-2H+Na"	20.974666
"858921"	259.098366	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-2H+Na"	20.974666
"1621165"	259.098366	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Na-2H"	20.974666
"103898"	255.104763	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M-H+Cl"	33.962126
"543457"	374.166613	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M-H+Cl"	33.962126
"932231"	136.042913	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-H+Cl"	33.962126
"279904"	511.216802	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+Cl"	34.969402
"671232"	749.340502	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+Cl"	34.969402
"1287167"	273.093102	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Cl"	34.969402
"29845"	513.196006	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M-2H+K"	36.948606
"470867"	751.319706	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M-2H+K"	36.948606
"841375"	275.072306	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-2H+K"	36.948606
"1569601"	275.072306	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+K-2H"	36.948606
"953838"	283.121894	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-H+HCOOH"	44.998194
"376062"	521.245601	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+HCOOH-H"	44.998201
"360311"	535.261251	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+Hac-H"	59.013851
"1506589"	297.137551	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Hac-H"	59.013851
"974139"	305.103851	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-H+NaCOOH"	66.980151
"124131"	273.093102	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+2Cl"	69.938804
"560775"	392.154952	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+2Cl"	69.938804
"1035407"	154.031252	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2Cl"	69.938804
"1254621"	317.042585	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Br"	78.918885
"1318160"	319.098572	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Cl+HCOOH"	80.974872
"1326907"	341.080529	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Cl+NaCOOH"	102.956829
"915779"	351.109286	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M-H+CF3COOH"	112.985586
"1295768"	387.085964	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Cl+CF3COOH"	148.962264
"1369562"	203.111024	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H-2H2O"	-35.012676
"1385967"	221.121	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H-H2O"	-17.0027
"293310"	477.254676	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+H"	1.007276
"689009"	715.378376	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+H"	1.007276
"1358801"	239.130976	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H"	1.007276
"138625"	239.130976	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+2H"	2.014552
"578549"	358.192826	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+2H"	2.014552
"1050266"	120.069126	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2H"	2.014552
"218168"	159.756409333333	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+3H"	3.021828
"657365"	239.130976	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+3H"	3.021828
"1176585"	80.3818426666667	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+3H"	3.021828
"439378"	494.281223	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+NH4"	18.033823
"795384"	732.404923	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+NH4"	18.033823
"1694640"	256.157523	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+NH4"	18.033823
"342185"	247.6442495	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+H+NH4"	19.041099
"731325"	366.7060995	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+H+NH4"	19.041099
"1490983"	128.5823995	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H+NH4"	19.041099
"404921"	499.236618	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+Na"	22.989218
"762636"	737.360318	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+Na"	22.989218
"1608547"	261.112918	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Na"	22.989218
"326239"	250.121947	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+H+Na"	23.996494
"720850"	369.183797	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+H+Na"	23.996494
"1476251"	131.060097	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H+Na"	23.996494
"1063542"	87.7091566666667	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2H+Na"	25.00377
"1269595"	271.157186	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+CH3OH+H"	33.033486
"388169"	515.210558	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+K"	38.963158
"745882"	753.334258	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+K"	38.963158
"1551215"	277.086858	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+K"	38.963158
"310577"	258.108917	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+H+K"	39.970434
"701906"	377.170767	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+H+K"	39.970434
"1454634"	139.047067	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H+K"	39.970434
"248705"	518.281226	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+ACN+H"	42.033826
"1225067"	280.157526	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+ACN+H"	42.033826
"1209271"	140.582401	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+ACN+2H"	43.041102
"203640"	521.21856	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+2Na-H"	44.97116
"642106"	759.34226	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+2Na-H"	44.97116
"1146704"	283.09486	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2Na-H"	44.97116
"186715"	261.112918	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+2Na"	45.978436
"622993"	380.174768	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+2Na"	45.978436
"1128686"	142.051068	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2Na"	45.978436
"1407835"	95.0364706666667	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H+2Na"	46.985712
"1435578"	285.136446	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H+HCOOH"	47.012746
"227459"	266.14594	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+3H2O+2H"	56.04448
"1515522"	299.18849	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+IsoProp+H"	61.06479
"419583"	269.099888	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+Na+K"	61.952376
"779485"	388.161738	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+Na+K"	61.952376
"1679097"	150.038038	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Na+K"	61.952376
"257962"	540.263168	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+ACN+Na"	64.015768
"1236885"	302.139468	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+ACN+Na"	64.015768
"1726498"	302.162993	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+NH4+HCOOH"	64.039293
"1191124"	102.363784666667	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+3Na"	68.967654
"1661385"	307.118388	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Na+HCOOH"	68.994688
"167153"	553.16644	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+2K-H"	76.91904
"607807"	791.29014	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+2K-H"	76.91904
"1092319"	315.04274	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2K-H"	76.91904
"150230"	277.086858	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"2M+2K"	77.926316
"595134"	396.148708	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"3M+2K"	77.926316
"1080862"	158.025008	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2K"	77.926316
"1112856"	317.057292	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2K+H"	78.933592
"1349485"	317.144907	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+DMSO+H"	79.021207
"1016796"	321.184076	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2ACN+H"	83.060376
"1539545"	322.177708	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+IsoProp+Na+H"	84.054008
"999186"	161.095676	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+2ACN+2H"	84.067652
"1600248"	323.092328	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+K+HCOOH"	84.968628
"1429192"	353.123838	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+H+CF3COOH"	115.000138
"1160570"	181.608951	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+3ACN+2H"	125.094202
"1712542"	370.150385	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+NH4+CF3COOH"	132.026685
"1647596"	375.10578	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+Na+CF3COOH"	136.98208
"1580328"	391.07972	"C19037"	"Chloromebuform"	"C13H19ClN2"	"238.1237"	"M+K+CF3COOH"	152.95602
"804133"	266.0903	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M"	0
"975475"	247.07191	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-H2O-H"	-19.01839
"65910"	176.386257333333	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M-3H"	-3.021828
"506563"	265.083024	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M-3H"	-3.021828
"882179"	87.6894906666667	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-3H"	-3.021828
"1846"	265.083024	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M-2H"	-2.014552
"440144"	398.128174	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M-2H"	-2.014552
"817746"	132.037874	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-2H"	-2.014552
"78594"	531.173324	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M-H"	-1.007276
"518598"	797.263624	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M-H"	-1.007276
"895709"	265.083024	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-H"	-1.007276
"47193"	548.199871	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M-2H+NH4"	16.019271
"487135"	814.290171	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M-2H+NH4"	16.019271
"864248"	282.109571	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-2H+NH4"	16.019271
"32311"	553.155266	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M-2H+Na"	20.974666
"471826"	819.245566	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M-2H+Na"	20.974666
"849916"	287.064966	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-2H+Na"	20.974666
"1618673"	287.064966	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Na-2H"	20.974666
"100726"	283.071363	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M-H+Cl"	33.962126
"541381"	416.116513	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M-H+Cl"	33.962126
"928696"	150.026213	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-H+Cl"	33.962126
"269076"	567.150002	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+Cl"	34.969402
"666967"	833.240302	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+Cl"	34.969402
"1286912"	301.059702	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Cl"	34.969402
"31412"	569.129206	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M-2H+K"	36.948606
"471228"	835.219506	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M-2H+K"	36.948606
"842579"	303.038906	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-2H+K"	36.948606
"1568254"	303.038906	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+K-2H"	36.948606
"956136"	311.088494	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-H+HCOOH"	44.998194
"375446"	577.178801	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+HCOOH-H"	44.998201
"359692"	591.194451	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+Hac-H"	59.013851
"1506703"	325.104151	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Hac-H"	59.013851
"973396"	333.070451	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-H+NaCOOH"	66.980151
"124242"	301.059702	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+2Cl"	69.938804
"561979"	434.104852	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+2Cl"	69.938804
"1034788"	168.014552	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2Cl"	69.938804
"1254731"	345.009185	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Br"	78.918885
"1318270"	347.065172	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Cl+HCOOH"	80.974872
"1325924"	369.047129	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Cl+NaCOOH"	102.956829
"915889"	379.075886	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M-H+CF3COOH"	112.985586
"1293690"	415.052564	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Cl+CF3COOH"	148.962264
"1367486"	231.077624	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H-2H2O"	-35.012676
"1384984"	249.0876	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H-H2O"	-17.0027
"289045"	533.187876	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+H"	1.007276
"683652"	799.278176	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+H"	1.007276
"1356725"	267.097576	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H"	1.007276
"140923"	267.097576	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+2H"	2.014552
"579025"	400.142726	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+2H"	2.014552
"1050376"	134.052426	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2H"	2.014552
"219007"	178.400809333333	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+3H"	3.021828
"658567"	267.097576	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+3H"	3.021828
"1173409"	89.7040426666667	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+3H"	3.021828
"433402"	550.214423	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+NH4"	18.033823
"796588"	816.304723	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+NH4"	18.033823
"1693652"	284.124123	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+NH4"	18.033823
"339014"	275.6108495	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+H+NH4"	19.041099
"731435"	408.6559995	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+H+NH4"	19.041099
"1481610"	142.5656995	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H+NH4"	19.041099
"401749"	555.169818	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+Na"	22.989218
"755818"	821.260118	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+Na"	22.989218
"1607564"	289.079518	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Na"	22.989218
"326349"	278.088547	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+H+Na"	23.996494
"720960"	411.133697	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+H+Na"	23.996494
"1468219"	145.043397	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H+Na"	23.996494
"1059276"	97.0313566666667	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2H+Na"	25.00377
"1262045"	299.123786	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+CH3OH+H"	33.033486
"384993"	571.143758	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+K"	38.963158
"743802"	837.234058	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+K"	38.963158
"1544760"	305.053458	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+K"	38.963158
"305218"	286.075517	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+H+K"	39.970434
"694359"	419.120667	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+H+K"	39.970434
"1456928"	153.030367	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H+K"	39.970434
"248814"	574.214426	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+ACN+H"	42.033826
"1220430"	308.124126	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+ACN+H"	42.033826
"1206501"	154.565701	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+ACN+2H"	43.041102
"198279"	577.15176	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+2Na-H"	44.97116
"640025"	843.24206	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+2Na-H"	44.97116
"1138063"	311.06146	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2Na-H"	44.97116
"186822"	289.079518	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+2Na"	45.978436
"617636"	422.124668	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+2Na"	45.978436
"1125516"	156.034368	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2Na"	45.978436
"1407945"	104.358670666667	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H+2Na"	46.985712
"1433501"	313.103046	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H+HCOOH"	47.012746
"224289"	294.11254	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+3H2O+2H"	56.04448
"1513445"	327.15509	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+IsoProp+H"	61.06479
"419693"	297.066488	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+Na+K"	61.952376
"782875"	430.111638	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+Na+K"	61.952376
"1679208"	164.021338	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Na+K"	61.952376
"259165"	596.196368	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+ACN+Na"	64.015768
"1239181"	330.106068	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+ACN+Na"	64.015768
"1726973"	330.129593	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+NH4+HCOOH"	64.039293
"1192327"	111.685984666667	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+3Na"	68.967654
"1665387"	335.084988	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Na+HCOOH"	68.994688
"170544"	609.09964	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+2K-H"	76.91904
"612052"	875.18994	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+2K-H"	76.91904
"1094616"	343.00934	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2K-H"	76.91904
"156744"	305.053458	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"2M+2K"	77.926316
"596746"	438.098608	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"3M+2K"	77.926316
"1083654"	172.008308	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2K"	77.926316
"1115241"	345.023892	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2K+H"	78.933592
"1350816"	345.111507	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+DMSO+H"	79.021207
"1016906"	349.150676	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2ACN+H"	83.060376
"1539535"	350.144308	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+IsoProp+Na+H"	84.054008
"1003670"	175.078976	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+2ACN+2H"	84.067652
"1602712"	351.058928	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+K+HCOOH"	84.968628
"1429670"	381.090438	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+H+CF3COOH"	115.000138
"1162017"	195.592251	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+3ACN+2H"	125.094202
"1712652"	398.116985	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+NH4+CF3COOH"	132.026685
"1647706"	403.07238	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+Na+CF3COOH"	136.98208
"1580438"	419.04632	"C19038"	"Dinex"	"C12H14N2O5"	"266.0903"	"M+K+CF3COOH"	152.95602
"804243"	282.1732	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M"	0
"974506"	263.15481	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-H2O-H"	-19.01839
"67113"	187.108190666667	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M-3H"	-3.021828
"506673"	281.165924	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M-3H"	-3.021828
"880828"	93.0504573333333	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-3H"	-3.021828
"1956"	281.165924	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M-2H"	-2.014552
"440417"	422.252524	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M-2H"	-2.014552
"817207"	140.079324	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-2H"	-2.014552
"79292"	563.339124	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M-H"	-1.007276
"518969"	845.512324	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M-H"	-1.007276
"895926"	281.165924	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-H"	-1.007276
"47423"	580.365671	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M-2H+NH4"	16.019271
"487586"	862.538871	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M-2H+NH4"	16.019271
"864984"	298.192471	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-2H+NH4"	16.019271
"35214"	585.321066	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M-2H+Na"	20.974666
"472587"	867.494266	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M-2H+Na"	20.974666
"850389"	303.147866	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-2H+Na"	20.974666
"1619193"	303.147866	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Na-2H"	20.974666
"95730"	299.154263	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M-H+Cl"	33.962126
"536020"	440.240863	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M-H+Cl"	33.962126
"928077"	158.067663	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-H+Cl"	33.962126
"268215"	599.315802	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+Cl"	34.969402
"664890"	881.489002	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+Cl"	34.969402
"1285320"	317.142602	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Cl"	34.969402
"31120"	601.295006	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M-2H+K"	36.948606
"470723"	883.468206	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M-2H+K"	36.948606
"840503"	319.121806	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-2H+K"	36.948606
"1567269"	319.121806	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+K-2H"	36.948606
"956245"	327.171394	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-H+HCOOH"	44.998194
"375189"	609.344601	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+HCOOH-H"	44.998201
"360166"	623.360251	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+Hac-H"	59.013851
"1506811"	341.187051	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Hac-H"	59.013851
"972528"	349.153351	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-H+NaCOOH"	66.980151
"123622"	317.142602	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+2Cl"	69.938804
"560995"	458.229202	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+2Cl"	69.938804
"1035991"	176.056002	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2Cl"	69.938804
"1256178"	361.092085	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Br"	78.918885
"1315100"	363.148072	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Cl+HCOOH"	80.974872
"1323847"	385.130029	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Cl+NaCOOH"	102.956829
"913812"	395.158786	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M-H+CF3COOH"	112.985586
"1293800"	431.135464	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Cl+CF3COOH"	148.962264
"1367587"	247.160524	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H-2H2O"	-35.012676
"1383270"	265.1705	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H-H2O"	-17.0027
"289155"	565.353676	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+H"	1.007276
"682669"	847.526876	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+H"	1.007276
"1356836"	283.180476	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H"	1.007276
"138845"	283.180476	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+2H"	2.014552
"577676"	424.267076	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+2H"	2.014552
"1050483"	142.093876	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2H"	2.014552
"218387"	189.122742666667	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+3H"	3.021828
"648834"	283.180476	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+3H"	3.021828
"1169145"	95.0650093333334	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+3H"	3.021828
"432418"	582.380223	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+NH4"	18.033823
"796334"	864.553423	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+NH4"	18.033823
"1694492"	300.207023	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+NH4"	18.033823
"341310"	291.6937495	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+H+NH4"	19.041099
"731545"	432.7803495	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+H+NH4"	19.041099
"1477711"	150.6071495	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H+NH4"	19.041099
"398579"	587.335618	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+Na"	22.989218
"757021"	869.508818	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+Na"	22.989218
"1605728"	305.162418	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Na"	22.989218
"314749"	294.171447	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+H+Na"	23.996494
"719976"	435.258047	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+H+Na"	23.996494
"1470516"	153.084847	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H+Na"	23.996494
"1059386"	102.392323333333	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2H+Na"	25.00377
"1259968"	315.206686	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+CH3OH+H"	33.033486
"384009"	603.309558	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+K"	38.963158
"745005"	885.482758	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+K"	38.963158
"1544870"	321.136358	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+K"	38.963158
"302409"	302.158417	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+H+K"	39.970434
"693738"	443.245017	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+H+K"	39.970434
"1453758"	161.071817	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H+K"	39.970434
"237990"	606.380226	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+ACN+H"	42.033826
"1216166"	324.207026	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+ACN+H"	42.033826
"1201144"	162.607151	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+ACN+2H"	43.041102
"191099"	609.31756	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+2Na-H"	44.97116
"633574"	891.49076	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+2Na-H"	44.97116
"1135620"	327.14436	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2Na-H"	44.97116
"183652"	305.162418	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+2Na"	45.978436
"617746"	446.249018	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+2Na"	45.978436
"1123439"	164.075818	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2Na"	45.978436
"1404775"	109.719637333333	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H+2Na"	46.985712
"1430695"	329.185946	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H+HCOOH"	47.012746
"220751"	310.19544	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+3H2O+2H"	56.04448
"1512462"	343.23799	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+IsoProp+H"	61.06479
"415430"	313.149388	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+Na+K"	61.952376
"778612"	454.235988	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+Na+K"	61.952376
"1669477"	172.062788	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Na+K"	61.952376
"253442"	628.362168	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+ACN+Na"	64.015768
"1239656"	346.188968	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+ACN+Na"	64.015768
"1726353"	346.212493	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+NH4+HCOOH"	64.039293
"1191708"	117.046951333333	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+3Na"	68.967654
"1665550"	351.167888	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Na+HCOOH"	68.994688
"171383"	641.26544	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+2K-H"	76.91904
"608027"	923.43864	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+2K-H"	76.91904
"1094726"	359.09224	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2K-H"	76.91904
"155796"	321.136358	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"2M+2K"	77.926316
"596329"	462.222958	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"3M+2K"	77.926316
"1082784"	180.049758	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2K"	77.926316
"1114657"	361.106792	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2K+H"	78.933592
"1349460"	361.194407	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+DMSO+H"	79.021207
"1013735"	365.233576	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2ACN+H"	83.060376
"1537331"	366.227208	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+IsoProp+Na+H"	84.054008
"1000499"	183.120426	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+2ACN+2H"	84.067652
"1599377"	367.141828	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+K+HCOOH"	84.968628
"1423944"	397.173338	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+H+CF3COOH"	115.000138
"1158604"	203.633701	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+3ACN+2H"	125.094202
"1711800"	414.199885	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+NH4+CF3COOH"	132.026685
"1647815"	419.15528	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+Na+CF3COOH"	136.98208
"1580548"	435.12922	"C19039"	"Malonoben"	"C18H22N2O"	"282.1732"	"M+K+CF3COOH"	152.95602
"801567"	187.9469	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M"	0
"975206"	168.92851	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-H2O-H"	-19.01839
"65037"	124.290657333333	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M-3H"	-3.021828
"506783"	186.939624	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M-3H"	-3.021828
"880572"	61.6416906666667	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-3H"	-3.021828
"973"	186.939624	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M-2H"	-2.014552
"441013"	280.913074	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M-2H"	-2.014552
"817471"	92.966174	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-2H"	-2.014552
"79045"	374.886524	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M-H"	-1.007276
"518804"	562.833424	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M-H"	-1.007276
"896651"	186.939624	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-H"	-1.007276
"48472"	391.913071	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M-2H+NH4"	16.019271
"487544"	579.859971	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M-2H+NH4"	16.019271
"864860"	203.966171	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-2H+NH4"	16.019271
"33866"	396.868466	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M-2H+Na"	20.974666
"473182"	584.815366	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M-2H+Na"	20.974666
"849647"	208.921566	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-2H+Na"	20.974666
"1619789"	208.921566	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Na-2H"	20.974666
"95840"	204.927963	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M-H+Cl"	33.962126
"535401"	298.901413	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M-H+Cl"	33.962126
"927415"	110.954513	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-H+Cl"	33.962126
"268564"	410.863202	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+Cl"	34.969402
"665000"	598.810102	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+Cl"	34.969402
"1286159"	222.916302	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Cl"	34.969402
"30789"	412.842406	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M-2H+K"	36.948606
"470955"	600.789306	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M-2H+K"	36.948606
"841706"	224.895506	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-2H+K"	36.948606
"1567380"	224.895506	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+K-2H"	36.948606
"955263"	232.945094	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-H+HCOOH"	44.998194
"373843"	420.892001	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+HCOOH-H"	44.998201
"359183"	434.907651	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+Hac-H"	59.013851
"1505829"	246.960751	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Hac-H"	59.013851
"971913"	254.927051	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-H+NaCOOH"	66.980151
"125074"	222.916302	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+2Cl"	69.938804
"563293"	316.889752	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+2Cl"	69.938804
"1035254"	128.942852	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2Cl"	69.938804
"1247297"	266.865785	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Br"	78.918885
"1316303"	268.921772	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Cl+HCOOH"	80.974872
"1323957"	290.903729	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Cl+NaCOOH"	102.956829
"916110"	300.932486	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M-H+CF3COOH"	112.985586
"1297191"	336.909164	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Cl+CF3COOH"	148.962264
"1368306"	152.934224	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H-2H2O"	-35.012676
"1383380"	170.9442	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H-H2O"	-17.0027
"289265"	376.901076	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+H"	1.007276
"682780"	564.847976	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+H"	1.007276
"1356945"	188.954176	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H"	1.007276
"138955"	188.954176	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+2H"	2.014552
"579243"	282.927626	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+2H"	2.014552
"1051322"	94.980726	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2H"	2.014552
"219349"	126.305209333333	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+3H"	3.021828
"647849"	188.954176	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+3H"	3.021828
"1168161"	63.6562426666667	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+3H"	3.021828
"428154"	393.927623	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+NH4"	18.033823
"796808"	581.874523	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+NH4"	18.033823
"1682445"	205.980723	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+NH4"	18.033823
"338138"	197.4674495	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+H+NH4"	19.041099
"728375"	291.4408995	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+H+NH4"	19.041099
"1480007"	103.4939995	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H+NH4"	19.041099
"398689"	398.883018	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+Na"	22.989218
"756767"	586.829918	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+Na"	22.989218
"1605596"	210.936118	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Na"	22.989218
"314656"	199.945147	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+H+Na"	23.996494
"720695"	293.918597	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+H+Na"	23.996494
"1471719"	105.971697	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H+Na"	23.996494
"1060589"	70.9835566666667	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2H+Na"	25.00377
"1261172"	220.980386	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+CH3OH+H"	33.033486
"384119"	414.856958	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+K"	38.963158
"741833"	602.803858	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+K"	38.963158
"1545344"	226.910058	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+K"	38.963158
"302154"	207.932117	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+H+K"	39.970434
"693117"	301.905567	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+H+K"	39.970434
"1451315"	113.958667	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H+K"	39.970434
"239190"	417.927626	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+ACN+H"	42.033826
"1216276"	229.980726	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+ACN+H"	42.033826
"1201254"	115.494001	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+ACN+2H"	43.041102
"191573"	420.86496	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+2Na-H"	44.97116
"631131"	608.81186	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+2Na-H"	44.97116
"1134272"	232.91806	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2Na-H"	44.97116
"177201"	210.936118	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+2Na"	45.978436
"621136"	304.909568	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+2Na"	45.978436
"1121361"	116.962668	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2Na"	45.978436
"1401605"	78.3108706666667	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H+2Na"	46.985712
"1430441"	234.959646	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H+HCOOH"	47.012746
"221229"	215.96914	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+3H2O+2H"	56.04448
"1512572"	249.01169	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+IsoProp+H"	61.06479
"409705"	218.923088	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+Na+K"	61.952376
"770329"	312.896538	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+Na+K"	61.952376
"1668125"	124.949638	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Na+K"	61.952376
"252332"	439.909568	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+ACN+Na"	64.015768
"1240130"	251.962668	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+ACN+Na"	64.015768
"1724276"	251.986193	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+NH4+HCOOH"	64.039293
"1190724"	85.6381846666667	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+3Na"	68.967654
"1665524"	256.941588	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Na+HCOOH"	68.994688
"169670"	452.81284	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+2K-H"	76.91904
"605950"	640.75974	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+2K-H"	76.91904
"1093741"	264.86594	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2K-H"	76.91904
"153839"	226.910058	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"2M+2K"	77.926316
"594493"	320.883508	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"3M+2K"	77.926316
"1080098"	132.936608	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2K"	77.926316
"1114888"	266.880492	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2K+H"	78.933592
"1349328"	266.968107	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+DMSO+H"	79.021207
"1012752"	271.007276	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2ACN+H"	83.060376
"1536348"	272.000908	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+IsoProp+Na+H"	84.054008
"1000609"	136.007276	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+2ACN+2H"	84.067652
"1597299"	272.915528	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+K+HCOOH"	84.968628
"1427334"	302.947038	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+H+CF3COOH"	115.000138
"1157620"	156.520551	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+3ACN+2H"	125.094202
"1711181"	319.973585	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+NH4+CF3COOH"	132.026685
"1647926"	324.92898	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+Na+CF3COOH"	136.98208
"1580658"	340.90292	"C19040"	"Sodium hexafluorosilicate"	"Na2SiF6"	"187.9469"	"M+K+CF3COOH"	152.95602
"805555"	416.053	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M"	0
"975805"	397.03461	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-H2O-H"	-19.01839
"68426"	276.361390666667	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M-3H"	-3.021828
"507257"	415.045724	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M-3H"	-3.021828
"884693"	137.677057333333	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-3H"	-3.021828
"3633"	415.045724	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M-2H"	-2.014552
"440880"	623.072224	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M-2H"	-2.014552
"817382"	207.019224	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-2H"	-2.014552
"79275"	831.098724	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M-H"	-1.007276
"518564"	1247.151724	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M-H"	-1.007276
"896027"	415.045724	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-H"	-1.007276
"47851"	848.125271	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M-2H+NH4"	16.019271
"487654"	1264.178271	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M-2H+NH4"	16.019271
"865218"	432.072271	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-2H+NH4"	16.019271
"34704"	853.080666	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M-2H+Na"	20.974666
"473291"	1269.133666	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M-2H+Na"	20.974666
"850364"	437.027666	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-2H+Na"	20.974666
"1620019"	437.027666	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Na-2H"	20.974666
"95586"	433.034063	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M-H+Cl"	33.962126
"536969"	641.060563	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M-H+Cl"	33.962126
"929025"	225.007563	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-H+Cl"	33.962126
"269038"	867.075402	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+Cl"	34.969402
"662558"	1283.128402	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+Cl"	34.969402
"1285904"	451.022402	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Cl"	34.969402
"30045"	869.054606	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M-2H+K"	36.948606
"465108"	1285.107606	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M-2H+K"	36.948606
"838535"	453.001606	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-2H+K"	36.948606
"1564208"	453.001606	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+K-2H"	36.948606
"953184"	461.051194	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-H+HCOOH"	44.998194
"371398"	877.104201	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+HCOOH-H"	44.998201
"358196"	891.119851	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+Hac-H"	59.013851
"1501925"	475.066851	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Hac-H"	59.013851
"971653"	483.033151	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-H+NaCOOH"	66.980151
"124816"	451.022402	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+2Cl"	69.938804
"556842"	659.048902	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+2Cl"	69.938804
"1034388"	242.995902	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2Cl"	69.938804
"1252873"	494.971885	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Br"	78.918885
"1317506"	497.027872	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Cl+HCOOH"	80.974872
"1324067"	519.009829	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Cl+NaCOOH"	102.956829
"914397"	529.038586	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M-H+CF3COOH"	112.985586
"1290375"	565.015264	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Cl+CF3COOH"	148.962264
"1368541"	381.040324	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H-2H2O"	-35.012676
"1384215"	399.0503	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H-H2O"	-17.0027
"285000"	833.113276	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+H"	1.007276
"682890"	1249.166276	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+H"	1.007276
"1359239"	417.060276	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H"	1.007276
"135407"	417.060276	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+2H"	2.014552
"580085"	625.086776	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+2H"	2.014552
"1047056"	209.033776	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2H"	2.014552
"216779"	278.375942666667	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+3H"	3.021828
"647959"	417.060276	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+3H"	3.021828
"1168270"	139.691609333333	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+3H"	3.021828
"428264"	850.139823	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+NH4"	18.033823
"795825"	1266.192823	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+NH4"	18.033823
"1684863"	434.086823	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+NH4"	18.033823
"340435"	425.5735495	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+H+NH4"	19.041099
"728485"	633.6000495	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+H+NH4"	19.041099
"1480117"	217.5470495	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H+NH4"	19.041099
"399892"	855.095218	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+Na"	22.989218
"756513"	1271.148218	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+Na"	22.989218
"1606799"	439.042218	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Na"	22.989218
"315010"	428.051247	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+H+Na"	23.996494
"721047"	636.077747	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+H+Na"	23.996494
"1474015"	220.024747	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H+Na"	23.996494
"1060699"	147.018923333333	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2H+Na"	25.00377
"1261282"	449.086486	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+CH3OH+H"	33.033486
"379125"	871.069158	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+K"	38.963158
"740119"	1287.122158	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+K"	38.963158
"1545089"	455.016158	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+K"	38.963158
"302628"	436.038217	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+H+K"	39.970434
"693227"	644.064717	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+H+K"	39.970434
"1452154"	228.011717	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H+K"	39.970434
"238572"	874.139826	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+ACN+H"	42.033826
"1215293"	458.086826	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+ACN+H"	42.033826
"1200269"	229.547051	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+ACN+2H"	43.041102
"193505"	877.07716	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+2Na-H"	44.97116
"634157"	1293.13016	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+2Na-H"	44.97116
"1134746"	461.02416	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2Na-H"	44.97116
"177675"	439.042218	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+2Na"	45.978436
"621246"	647.068718	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+2Na"	45.978436
"1121471"	231.015718	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2Na"	45.978436
"1402079"	154.346237333333	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H+2Na"	46.985712
"1432736"	463.065746	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H+HCOOH"	47.012746
"222431"	444.07524	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+3H2O+2H"	56.04448
"1513775"	477.11779	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+IsoProp+H"	61.06479
"409815"	447.029188	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+Na+K"	61.952376
"771171"	655.055688	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+Na+K"	61.952376
"1667504"	239.002688	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Na+K"	61.952376
"253049"	896.121768	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+ACN+Na"	64.015768
"1239757"	480.068768	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+ACN+Na"	64.015768
"1725115"	480.092293	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+NH4+HCOOH"	64.039293
"1191563"	161.673551333333	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+3Na"	68.967654
"1664498"	485.047688	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Na+HCOOH"	68.994688
"170874"	909.02504	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+2K-H"	76.91904
"607153"	1325.07804	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+2K-H"	76.91904
"1093854"	492.97204	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2K-H"	76.91904
"153950"	455.016158	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"2M+2K"	77.926316
"594361"	663.042658	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"3M+2K"	77.926316
"1083004"	246.989658	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2K"	77.926316
"1113176"	494.986592	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2K+H"	78.933592
"1349559"	495.074207	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+DMSO+H"	79.021207
"1013955"	499.113376	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2ACN+H"	83.060376
"1537550"	500.107008	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+IsoProp+Na+H"	84.054008
"999626"	250.060326	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+2ACN+2H"	84.067652
"1596315"	501.021628	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+K+HCOOH"	84.968628
"1426351"	531.053138	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+H+CF3COOH"	115.000138
"1158823"	270.573601	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+3ACN+2H"	125.094202
"1712384"	548.079685	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+NH4+CF3COOH"	132.026685
"1648036"	553.03508	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+Na+CF3COOH"	136.98208
"1580768"	569.00902	"C19041"	"Flubenzimine"	"C17H10F6N4S"	"416.053"	"M+K+CF3COOH"	152.95602
"802507"	276.2089	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M"	0
"975915"	257.19051	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-H2O-H"	-19.01839
"69629"	183.131990666667	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M-3H"	-3.021828
"507003"	275.201624	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M-3H"	-3.021828
"882617"	91.0623573333333	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-3H"	-3.021828
"3379"	275.201624	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M-2H"	-2.014552
"441112"	413.306074	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M-2H"	-2.014552
"817208"	137.097174	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-2H"	-2.014552
"79019"	551.410524	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M-H"	-1.007276
"518651"	827.619424	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M-H"	-1.007276
"896258"	275.201624	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-H"	-1.007276
"47360"	568.437071	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M-2H+NH4"	16.019271
"487363"	844.645971	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M-2H+NH4"	16.019271
"864599"	292.228171	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-2H+NH4"	16.019271
"34085"	573.392466	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M-2H+Na"	20.974666
"474375"	849.601366	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M-2H+Na"	20.974666
"850352"	297.183566	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-2H+Na"	20.974666
"1620373"	297.183566	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Na-2H"	20.974666
"97154"	293.189963	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M-H+Cl"	33.962126
"536715"	431.294413	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M-H+Cl"	33.962126
"929865"	155.085513	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-H+Cl"	33.962126
"268423"	587.387202	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+Cl"	34.969402
"665220"	863.596102	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+Cl"	34.969402
"1287107"	311.178302	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Cl"	34.969402
"30399"	589.366406	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M-2H+K"	36.948606
"468498"	865.575306	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M-2H+K"	36.948606
"840831"	313.157506	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-2H+K"	36.948606
"1564317"	313.157506	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+K-2H"	36.948606
"953294"	321.207094	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-H+HCOOH"	44.998194
"374788"	597.416001	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+HCOOH-H"	44.998201
"355388"	611.431651	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+Hac-H"	59.013851
"1502035"	335.222751	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Hac-H"	59.013851
"968483"	343.189051	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-H+NaCOOH"	66.980151
"124926"	311.178302	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+2Cl"	69.938804
"558043"	449.282752	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+2Cl"	69.938804
"1033404"	173.073852	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2Cl"	69.938804
"1254076"	355.127785	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Br"	78.918885
"1314336"	357.183772	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Cl+HCOOH"	80.974872
"1322354"	379.165729	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Cl+NaCOOH"	102.956829
"915600"	389.194486	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M-H+CF3COOH"	112.985586
"1290120"	425.171164	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Cl+CF3COOH"	148.962264
"1368649"	241.196224	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H-2H2O"	-35.012676
"1384689"	259.2062	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H-H2O"	-17.0027
"285109"	553.425076	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+H"	1.007276
"681906"	829.633976	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+H"	1.007276
"1359348"	277.216176	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H"	1.007276
"131143"	277.216176	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+2H"	2.014552
"579099"	415.320626	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+2H"	2.014552
"1047165"	139.111726	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2H"	2.014552
"208503"	185.146542666667	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+3H"	3.021828
"649162"	277.216176	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+3H"	3.021828
"1167287"	93.0769093333333	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+3H"	3.021828
"430561"	570.451623	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+NH4"	18.033823
"795935"	846.660523	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+NH4"	18.033823
"1684973"	294.242723	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+NH4"	18.033823
"338357"	285.7294495	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+H+NH4"	19.041099
"728595"	423.8338995	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+H+NH4"	19.041099
"1480227"	147.6249995	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H+NH4"	19.041099
"400002"	575.407018	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+Na"	22.989218
"756623"	851.615918	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+Na"	22.989218
"1609096"	299.198118	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Na"	22.989218
"316945"	288.207147	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+H+Na"	23.996494
"715931"	426.311597	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+H+Na"	23.996494
"1470845"	150.102697	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H+Na"	23.996494
"1056435"	100.404223333333	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2H+Na"	25.00377
"1260298"	309.242386	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+CH3OH+H"	33.033486
"378868"	591.380958	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+K"	38.963158
"740229"	867.589858	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+K"	38.963158
"1542283"	315.172058	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+K"	38.963158
"302009"	296.194117	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+H+K"	39.970434
"692608"	434.298567	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+H+K"	39.970434
"1450442"	158.089667	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H+K"	39.970434
"239776"	594.451626	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+ACN+H"	42.033826
"1216496"	318.242726	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+ACN+H"	42.033826
"1198557"	159.625001	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+ACN+2H"	43.041102
"194345"	597.38896	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+2Na-H"	44.97116
"633905"	873.59786	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+2Na-H"	44.97116
"1137410"	321.18006	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2Na-H"	44.97116
"178513"	299.198118	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+2Na"	45.978436
"618439"	437.302568	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+2Na"	45.978436
"1117446"	161.093668	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2Na"	45.978436
"1399511"	107.731537333333	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H+2Na"	46.985712
"1433210"	323.221646	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H+HCOOH"	47.012746
"222177"	304.23114	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+3H2O+2H"	56.04448
"1513885"	337.27369	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+IsoProp+H"	61.06479
"410285"	307.185088	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+Na+K"	61.952376
"774202"	445.289538	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+Na+K"	61.952376
"1667000"	169.080638	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Na+K"	61.952376
"252794"	616.433568	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+ACN+Na"	64.015768
"1240231"	340.224668	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+ACN+Na"	64.015768
"1725591"	340.248193	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+NH4+HCOOH"	64.039293
"1192039"	115.058851333333	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+3Na"	68.967654
"1665218"	345.203588	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Na+HCOOH"	68.994688
"171473"	629.33684	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+2K-H"	76.91904
"609450"	905.54574	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+2K-H"	76.91904
"1095057"	353.12794	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2K-H"	76.91904
"154061"	315.172058	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"2M+2K"	77.926316
"596295"	453.276508	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"3M+2K"	77.926316
"1083360"	177.067608	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2K"	77.926316
"1114988"	355.142492	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2K+H"	78.933592
"1350644"	355.230107	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+DMSO+H"	79.021207
"1018440"	359.269276	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2ACN+H"	83.060376
"1537298"	360.262908	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+IsoProp+Na+H"	84.054008
"997549"	180.138276	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+2ACN+2H"	84.067652
"1599706"	361.177528	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+K+HCOOH"	84.968628
"1426461"	391.209038	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+H+CF3COOH"	115.000138
"1162213"	200.651551	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+3ACN+2H"	125.094202
"1710671"	408.235585	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+NH4+CF3COOH"	132.026685
"1648146"	413.19098	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+Na+CF3COOH"	136.98208
"1580878"	429.16492	"C19042"	"Kinoprene"	"C18H28O2"	"276.2089"	"M+K+CF3COOH"	152.95602
"803589"	173.0607	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M"	0
"976025"	154.04231	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-H2O-H"	-19.01839
"63906"	114.366524	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M-3H"	-3.021828
"503832"	172.053424	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M-3H"	-3.021828
"880540"	56.679624	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-3H"	-3.021828
"2760"	172.053424	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M-2H"	-2.014552
"440058"	258.583774	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M-2H"	-2.014552
"817399"	85.523074	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-2H"	-2.014552
"78722"	345.114124	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M-H"	-1.007276
"518675"	518.174824	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M-H"	-1.007276
"895799"	172.053424	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-H"	-1.007276
"47627"	362.140671	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M-2H+NH4"	16.019271
"489581"	535.201371	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M-2H+NH4"	16.019271
"864501"	189.079971	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-2H+NH4"	16.019271
"32248"	367.096066	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M-2H+Na"	20.974666
"472905"	540.156766	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M-2H+Na"	20.974666
"851195"	194.035366	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-2H+Na"	20.974666
"1619148"	194.035366	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Na-2H"	20.974666
"98358"	190.041763	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M-H+Cl"	33.962126
"537554"	276.572113	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M-H+Cl"	33.962126
"931069"	103.511413	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-H+Cl"	33.962126
"267925"	381.090802	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+Cl"	34.969402
"668610"	554.151502	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+Cl"	34.969402
"1285760"	208.030102	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Cl"	34.969402
"28319"	383.070006	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M-2H+K"	36.948606
"467515"	556.130706	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M-2H+K"	36.948606
"839848"	210.009306	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-2H+K"	36.948606
"1564427"	210.009306	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+K-2H"	36.948606
"954497"	218.058894	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-H+HCOOH"	44.998194
"376721"	391.119601	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+HCOOH-H"	44.998201
"356592"	405.135251	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+Hac-H"	59.013851
"1504332"	232.074551	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Hac-H"	59.013851
"970052"	240.040851	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-H+NaCOOH"	66.980151
"124794"	208.030102	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+2Cl"	69.938804
"560341"	294.560452	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+2Cl"	69.938804
"1031328"	121.499752	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2Cl"	69.938804
"1252000"	251.979585	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Br"	78.918885
"1313353"	254.035572	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Cl+HCOOH"	80.974872
"1326475"	276.017529	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Cl+NaCOOH"	102.956829
"915348"	286.046286	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M-H+CF3COOH"	112.985586
"1293513"	322.022964	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Cl+CF3COOH"	148.962264
"1367666"	138.048024	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H-2H2O"	-35.012676
"1383463"	156.058	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H-H2O"	-17.0027
"284125"	347.128676	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+H"	1.007276
"682016"	520.189376	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+H"	1.007276
"1356178"	174.067976	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H"	1.007276
"130524"	174.067976	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+2H"	2.014552
"576290"	260.598326	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+2H"	2.014552
"1042900"	87.537626	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2H"	2.014552
"208612"	116.381076	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+3H"	3.021828
"647086"	174.067976	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+3H"	3.021828
"1165209"	58.694176	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+3H"	3.021828
"428483"	364.155223	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+NH4"	18.033823
"796774"	537.215923	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+NH4"	18.033823
"1684719"	191.094523	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+NH4"	18.033823
"335187"	182.5812495	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+H+NH4"	19.041099
"728705"	269.1115995	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+H+NH4"	19.041099
"1486897"	96.0508995	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H+NH4"	19.041099
"396832"	369.110618	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+Na"	22.989218
"756733"	542.171318	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+Na"	22.989218
"1609206"	196.049918	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Na"	22.989218
"314663"	185.058947	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+H+Na"	23.996494
"716041"	271.589297	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+H+Na"	23.996494
"1468768"	98.528597	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H+Na"	23.996494
"1056545"	66.02149	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2H+Na"	25.00377
"1258339"	206.094186	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+CH3OH+H"	33.033486
"378857"	385.084558	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+K"	38.963158
"740703"	558.145258	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+K"	38.963158
"1542028"	212.023858	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+K"	38.963158
"301754"	193.045917	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+H+K"	39.970434
"693083"	279.576267	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+H+K"	39.970434
"1446905"	106.515567	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H+K"	39.970434
"238430"	388.155226	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+ACN+H"	42.033826
"1212957"	215.094526	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+ACN+H"	42.033826
"1198304"	108.050901	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+ACN+2H"	43.041102
"191539"	391.09256	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+2Na-H"	44.97116
"631828"	564.15326	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+2Na-H"	44.97116
"1135334"	218.03186	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2Na-H"	44.97116
"176438"	196.049918	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+2Na"	45.978436
"615999"	282.580268	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+2Na"	45.978436
"1118411"	109.519568	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2Na"	45.978436
"1399743"	73.348804	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H+2Na"	46.985712
"1431864"	220.073446	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H+HCOOH"	47.012746
"221434"	201.08294	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+3H2O+2H"	56.04448
"1511079"	234.12549	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+IsoProp+H"	61.06479
"409786"	204.036888	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+Na+K"	61.952376
"771396"	290.567238	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+Na+K"	61.952376
"1666990"	117.506538	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Na+K"	61.952376
"252090"	410.137168	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+ACN+Na"	64.015768
"1241269"	237.076468	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+ACN+Na"	64.015768
"1726673"	237.099993	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+NH4+HCOOH"	64.039293
"1193366"	80.676118	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+3Na"	68.967654
"1664598"	242.055388	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Na+HCOOH"	68.994688
"171945"	423.04044	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+2K-H"	76.91904
"610654"	596.10114	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+2K-H"	76.91904
"1096260"	249.97974	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2K-H"	76.91904
"155264"	212.023858	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"2M+2K"	77.926316
"596526"	298.554208	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"3M+2K"	77.926316
"1084185"	125.493508	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2K"	77.926316
"1112546"	251.994292	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2K+H"	78.933592
"1350993"	252.081907	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+DMSO+H"	79.021207
"1018550"	256.121076	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2ACN+H"	83.060376
"1537770"	257.114708	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+IsoProp+Na+H"	84.054008
"998753"	128.564176	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+2ACN+2H"	84.067652
"1599817"	258.029328	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+K+HCOOH"	84.968628
"1426571"	288.060838	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+H+CF3COOH"	115.000138
"1162081"	149.077451	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+3ACN+2H"	125.094202
"1710781"	305.087385	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+NH4+CF3COOH"	132.026685
"1648256"	310.04278	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+Na+CF3COOH"	136.98208
"1580988"	326.01672	"C19043"	"Allidochlor"	"C8H12ClNO"	"173.0607"	"M+K+CF3COOH"	152.95602
"804793"	365.0585	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M"	0
"974718"	346.04011	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-H2O-H"	-19.01839
"63652"	242.365057333333	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M-3H"	-3.021828
"506129"	364.051224	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M-3H"	-3.021828
"881743"	120.678890666667	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-3H"	-3.021828
"3599"	364.051224	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M-2H"	-2.014552
"441333"	546.580474	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M-2H"	-2.014552
"818521"	181.521974	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-2H"	-2.014552
"80577"	729.109724	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M-H"	-1.007276
"519523"	1094.168224	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M-H"	-1.007276
"896359"	364.051224	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-H"	-1.007276
"48059"	746.136271	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M-2H+NH4"	16.019271
"488963"	1111.194771	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M-2H+NH4"	16.019271
"864934"	381.077771	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-2H+NH4"	16.019271
"34669"	751.091666	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M-2H+Na"	20.974666
"475325"	1116.150166	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M-2H+Na"	20.974666
"852034"	386.033166	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-2H+Na"	20.974666
"1620474"	386.033166	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Na-2H"	20.974666
"98104"	382.039563	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M-H+Cl"	33.962126
"535839"	564.568813	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M-H+Cl"	33.962126
"927528"	199.510313	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-H+Cl"	33.962126
"270460"	765.086402	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+Cl"	34.969402
"661427"	1130.144902	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+Cl"	34.969402
"1286598"	400.027902	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Cl"	34.969402
"29888"	767.065606	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M-2H+K"	36.948606
"469812"	1132.124106	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M-2H+K"	36.948606
"841051"	402.007106	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-2H+K"	36.948606
"1566724"	402.007106	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+K-2H"	36.948606
"955336"	410.056694	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-H+HCOOH"	44.998194
"376346"	775.115201	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+HCOOH-H"	44.998201
"356702"	789.130851	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+Hac-H"	59.013851
"1504078"	424.072351	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Hac-H"	59.013851
"970162"	432.038651	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-H+NaCOOH"	66.980151
"124783"	400.027902	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+2Cl"	69.938804
"559357"	582.557152	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+2Cl"	69.938804
"1032531"	217.498652	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2Cl"	69.938804
"1249923"	443.977385	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Br"	78.918885
"1310183"	446.033372	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Cl+HCOOH"	80.974872
"1326585"	468.015329	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Cl+NaCOOH"	102.956829
"915458"	478.044086	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M-H+CF3COOH"	112.985586
"1293259"	514.020764	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Cl+CF3COOH"	148.962264
"1368141"	330.045824	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H-2H2O"	-35.012676
"1384181"	348.0558	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H-H2O"	-17.0027
"284235"	731.124276	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+H"	1.007276
"683219"	1096.182776	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+H"	1.007276
"1357381"	366.065776	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H"	1.007276
"130270"	366.065776	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+2H"	2.014552
"575307"	548.595026	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+2H"	2.014552
"1041917"	183.536526	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2H"	2.014552
"208356"	244.379609333333	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+3H"	3.021828
"649383"	366.065776	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+3H"	3.021828
"1166414"	122.693442666667	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+3H"	3.021828
"431873"	748.150823	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+NH4"	18.033823
"789594"	1113.209323	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+NH4"	18.033823
"1685922"	383.092323	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+NH4"	18.033823
"335297"	374.5790495	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+H+NH4"	19.041099
"725531"	557.1082995	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+H+NH4"	19.041099
"1483727"	192.0497995	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H+NH4"	19.041099
"393661"	753.106218	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+Na"	22.989218
"755871"	1118.164718	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+Na"	22.989218
"1608223"	388.047718	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Na"	22.989218
"314282"	377.056747	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+H+Na"	23.996494
"707231"	559.585997	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+H+Na"	23.996494
"1461323"	194.527497	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H+Na"	23.996494
"1053128"	130.020756666667	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2H+Na"	25.00377
"1257356"	398.091986	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+CH3OH+H"	33.033486
"377118"	769.080158	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+K"	38.963158
"740086"	1134.138658	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+K"	38.963158
"1541045"	404.021658	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+K"	38.963158
"302958"	385.043717	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+H+K"	39.970434
"692099"	567.572967	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+H+K"	39.970434
"1446652"	202.514467	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H+K"	39.970434
"238904"	772.150826	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+ACN+H"	42.033826
"1211610"	407.092326	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+ACN+H"	42.033826
"1198414"	204.049801	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+ACN+2H"	43.041102
"194565"	775.08816	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+2Na-H"	44.97116
"635218"	1140.14666	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+2Na-H"	44.97116
"1138724"	410.02966	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2Na-H"	44.97116
"176548"	388.047718	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+2Na"	45.978436
"615380"	570.576968	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+2Na"	45.978436
"1120708"	205.518468	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2Na"	45.978436
"1400095"	137.348070666667	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H+2Na"	46.985712
"1431973"	412.071246	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H+HCOOH"	47.012746
"221669"	393.08074	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+3H2O+2H"	56.04448
"1510453"	426.12329	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+IsoProp+H"	61.06479
"410868"	396.034688	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+Na+K"	61.952376
"771506"	578.563938	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+Na+K"	61.952376
"1667463"	213.505438	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Na+K"	61.952376
"252892"	794.132768	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+ACN+Na"	64.015768
"1241059"	429.074268	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+ACN+Na"	64.015768
"1725811"	429.097793	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+NH4+HCOOH"	64.039293
"1191165"	144.675384666667	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+3Na"	68.967654
"1665273"	434.053188	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Na+HCOOH"	68.994688
"170841"	807.03604	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+2K-H"	76.91904
"610765"	1172.09454	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+2K-H"	76.91904
"1095278"	441.97754	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2K-H"	76.91904
"157041"	404.021658	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"2M+2K"	77.926316
"597061"	586.550908	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"3M+2K"	77.926316
"1082725"	221.492408	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2K"	77.926316
"1114723"	443.992092	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2K+H"	78.933592
"1350131"	444.079707	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+DMSO+H"	79.021207
"1020605"	448.118876	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2ACN+H"	83.060376
"1537880"	449.112508	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+IsoProp+Na+H"	84.054008
"1001050"	224.563076	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+2ACN+2H"	84.067652
"1599926"	450.027128	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+K+HCOOH"	84.968628
"1426681"	480.058638	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+H+CF3COOH"	115.000138
"1160247"	245.076351	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+3ACN+2H"	125.094202
"1709798"	497.085185	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+NH4+CF3COOH"	132.026685
"1648366"	502.04058	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+Na+CF3COOH"	136.98208
"1581098"	518.01452	"C19044"	"Benzoylprop-ethyl"	"C18H17Cl2NO3"	"365.0585"	"M+K+CF3COOH"	152.95602
"808184"	309.1496	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M"	0
"975275"	290.13121	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-H2O-H"	-19.01839
"63883"	205.092457333333	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M-3H"	-3.021828
"506239"	308.142324	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M-3H"	-3.021828
"880881"	102.042590666667	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-3H"	-3.021828
"4802"	308.142324	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M-2H"	-2.014552
"441807"	462.717124	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M-2H"	-2.014552
"818387"	153.567524	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-2H"	-2.014552
"80692"	617.291924	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M-H"	-1.007276
"520490"	926.441524	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M-H"	-1.007276
"896957"	308.142324	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-H"	-1.007276
"47686"	634.318471	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M-2H+NH4"	16.019271
"487850"	943.468071	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M-2H+NH4"	16.019271
"865289"	325.168871	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-2H+NH4"	16.019271
"34780"	639.273866	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M-2H+Na"	20.974666
"474342"	948.423466	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M-2H+Na"	20.974666
"852143"	330.124266	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-2H+Na"	20.974666
"1621314"	330.124266	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Na-2H"	20.974666
"97122"	326.130663	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M-H+Cl"	33.962126
"535709"	480.705463	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M-H+Cl"	33.962126
"929464"	171.555863	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-H+Cl"	33.962126
"269845"	653.268602	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+Cl"	34.969402
"669924"	962.418202	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+Cl"	34.969402
"1281238"	344.119002	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Cl"	34.969402
"29273"	655.247806	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M-2H+K"	36.948606
"468103"	964.397406	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M-2H+K"	36.948606
"845536"	346.098206	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-2H+K"	36.948606
"1570115"	346.098206	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+K-2H"	36.948606
"958005"	354.147794	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-H+HCOOH"	44.998194
"376213"	663.297401	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+HCOOH-H"	44.998201
"358638"	677.313051	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+Hac-H"	59.013851
"1507470"	368.163451	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Hac-H"	59.013851
"972096"	376.129751	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-H+NaCOOH"	66.980151
"125013"	344.119002	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+2Cl"	69.938804
"562748"	498.693802	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+2Cl"	69.938804
"1033734"	189.544202	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2Cl"	69.938804
"1253313"	388.068485	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Br"	78.918885
"1312480"	390.124472	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Cl+HCOOH"	80.974872
"1326695"	412.106429	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Cl+NaCOOH"	102.956829
"915568"	422.135186	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M-H+CF3COOH"	112.985586
"1293370"	458.111864	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Cl+CF3COOH"	148.962264
"1368253"	274.136924	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H-2H2O"	-35.012676
"1385385"	292.1469	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H-H2O"	-17.0027
"284709"	619.306476	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+H"	1.007276
"684424"	928.456076	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+H"	1.007276
"1358584"	310.156876	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H"	1.007276
"129286"	310.156876	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+2H"	2.014552
"568485"	464.731676	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+2H"	2.014552
"1044215"	155.582076	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2H"	2.014552
"208834"	207.107009333333	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+3H"	3.021828
"654960"	310.156876	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+3H"	3.021828
"1174908"	104.057142666667	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+3H"	3.021828
"430890"	636.333023	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+NH4"	18.033823
"795171"	945.482623	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+NH4"	18.033823
"1684939"	327.183423	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+NH4"	18.033823
"338323"	318.6701495	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+H+NH4"	19.041099
"724301"	473.2449495	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+H+NH4"	19.041099
"1487120"	164.0953495	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H+NH4"	19.041099
"400331"	641.288418	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+Na"	22.989218
"756102"	950.438018	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+Na"	22.989218
"1608333"	332.138818	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Na"	22.989218
"315085"	321.147847	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+H+Na"	23.996494
"707748"	475.722647	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+H+Na"	23.996494
"1461932"	166.573047	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H+Na"	23.996494
"1053360"	111.384456666667	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2H+Na"	25.00377
"1260626"	342.183086	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+CH3OH+H"	33.033486
"378833"	657.262358	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+K"	38.963158
"739831"	966.411958	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+K"	38.963158
"1542977"	348.112758	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+K"	38.963158
"301246"	329.134817	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+H+K"	39.970434
"691969"	483.709617	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+H+K"	39.970434
"1445631"	174.560017	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H+K"	39.970434
"240837"	660.333026	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+ACN+H"	42.033826
"1213544"	351.183426	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+ACN+H"	42.033826
"1203991"	176.095351	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+ACN+2H"	43.041102
"197957"	663.27036	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+2Na-H"	44.97116
"634234"	972.41996	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+2Na-H"	44.97116
"1138834"	354.12076	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2Na-H"	44.97116
"177751"	332.138818	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+2Na"	45.978436
"617311"	486.713618	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+2Na"	45.978436
"1120818"	177.564018	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2Na"	45.978436
"1399233"	118.711770666667	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H+2Na"	46.985712
"1432083"	356.162346	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H+HCOOH"	47.012746
"221779"	337.17184	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+3H2O+2H"	56.04448
"1510935"	370.21439	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+IsoProp+H"	61.06479
"409649"	340.125788	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+Na+K"	61.952376
"771977"	494.700588	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+Na+K"	61.952376
"1667218"	185.550988	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Na+K"	61.952376
"253370"	682.314968	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+ACN+Na"	64.015768
"1226442"	373.165368	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+ACN+Na"	64.015768
"1727014"	373.188893	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+NH4+HCOOH"	64.039293
"1191276"	126.039084666667	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+3Na"	68.967654
"1665060"	378.144288	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Na+HCOOH"	68.994688
"171314"	695.21824	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+2K-H"	76.91904
"610874"	1004.36784	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+2K-H"	76.91904
"1098062"	386.06864	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2K-H"	76.91904
"155242"	348.112758	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"2M+2K"	77.926316
"596708"	502.687558	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"3M+2K"	77.926316
"1082717"	193.537958	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2K"	77.926316
"1114837"	388.083192	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2K+H"	78.933592
"1350607"	388.170807	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+DMSO+H"	79.021207
"1019866"	392.209976	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2ACN+H"	83.060376
"1538720"	393.203608	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+IsoProp+Na+H"	84.054008
"1000066"	196.608626	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+2ACN+2H"	84.067652
"1600036"	394.118228	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+K+HCOOH"	84.968628
"1426426"	424.149738	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+H+CF3COOH"	115.000138
"1159994"	217.121901	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+3ACN+2H"	125.094202
"1709908"	441.176285	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+NH4+CF3COOH"	132.026685
"1648476"	446.13168	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+Na+CF3COOH"	136.98208
"1581208"	462.10562	"C19045"	"Butenachlor"	"C17H24ClNO2"	"309.1496"	"M+K+CF3COOH"	152.95602
"808294"	229.0061	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M"	0
"977451"	209.98771	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-H2O-H"	-19.01839
"65694"	151.663457333333	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M-3H"	-3.021828
"507442"	227.998824	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M-3H"	-3.021828
"883057"	75.3280906666667	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-3H"	-3.021828
"4912"	227.998824	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M-2H"	-2.014552
"443739"	342.501874	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M-2H"	-2.014552
"818985"	113.495774	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-2H"	-2.014552
"81167"	457.004924	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M-H"	-1.007276
"521089"	686.011024	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M-H"	-1.007276
"897434"	227.998824	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-H"	-1.007276
"49258"	474.031471	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M-2H+NH4"	16.019271
"489183"	703.037571	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M-2H+NH4"	16.019271
"865404"	245.025371	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-2H+NH4"	16.019271
"35621"	478.986866	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M-2H+Na"	20.974666
"475545"	707.992966	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M-2H+Na"	20.974666
"852984"	249.980766	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-2H+Na"	20.974666
"1622517"	249.980766	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Na-2H"	20.974666
"97230"	245.987163	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M-H+Cl"	33.962126
"541166"	360.490213	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M-H+Cl"	33.962126
"933586"	131.484113	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-H+Cl"	33.962126
"273234"	492.981602	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+Cl"	34.969402
"662380"	721.987702	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+Cl"	34.969402
"1282441"	263.975502	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Cl"	34.969402
"30356"	494.960806	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M-2H+K"	36.948606
"468942"	723.966906	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M-2H+K"	36.948606
"846739"	265.954706	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-2H+K"	36.948606
"1568768"	265.954706	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+K-2H"	36.948606
"957630"	274.004294	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-H+HCOOH"	44.998194
"377028"	503.010401	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+HCOOH-H"	44.998201
"361382"	517.026051	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+Hac-H"	59.013851
"1508408"	288.019951	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Hac-H"	59.013851
"972449"	295.986251	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-H+NaCOOH"	66.980151
"125664"	263.975502	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+2Cl"	69.938804
"562858"	378.478552	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+2Cl"	69.938804
"1033844"	149.472452	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2Cl"	69.938804
"1256461"	307.924985	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Br"	78.918885
"1310405"	309.980972	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Cl+HCOOH"	80.974872
"1322432"	331.962929	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Cl+NaCOOH"	102.956829
"918959"	341.991686	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M-H+CF3COOH"	112.985586
"1291293"	377.968364	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Cl+CF3COOH"	148.962264
"1369456"	193.993424	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H-2H2O"	-35.012676
"1386953"	212.0034	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H-H2O"	-17.0027
"289920"	459.019476	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+H"	1.007276
"683440"	688.025576	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+H"	1.007276
"1355414"	230.013376	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H"	1.007276
"129030"	230.013376	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+2H"	2.014552
"568960"	344.516426	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+2H"	2.014552
"1039945"	115.510326	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2H"	2.014552
"208572"	153.678009333333	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+3H"	3.021828
"655435"	230.013376	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+3H"	3.021828
"1166634"	77.3426426666667	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+3H"	3.021828
"427719"	476.046023	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+NH4"	18.033823
"798197"	705.052123	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+NH4"	18.033823
"1688329"	247.039923	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+NH4"	18.033823
"338797"	238.5266495	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+H+NH4"	19.041099
"725748"	353.0296995	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+H+NH4"	19.041099
"1487231"	124.0235995	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H+NH4"	19.041099
"400442"	481.001418	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+Na"	22.989218
"758156"	710.007518	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+Na"	22.989218
"1608444"	251.995318	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Na"	22.989218
"320668"	241.004347	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+H+Na"	23.996494
"707740"	355.507397	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+H+Na"	23.996494
"1464356"	126.501297	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H+Na"	23.996494
"1055780"	84.6699566666667	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2H+Na"	25.00377
"1260736"	262.039586	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+CH3OH+H"	33.033486
"379676"	496.975358	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+K"	38.963158
"740672"	725.981458	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+K"	38.963158
"1543453"	267.969258	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+K"	38.963158
"300628"	248.991317	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+H+K"	39.970434
"691954"	363.494367	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+H+K"	39.970434
"1447599"	134.488267	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H+K"	39.970434
"244226"	500.046026	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+ACN+H"	42.033826
"1215840"	271.039926	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+ACN+H"	42.033826
"1204101"	136.023601	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+ACN+2H"	43.041102
"198068"	502.98336	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+2Na-H"	44.97116
"635437"	731.98946	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+2Na-H"	44.97116
"1138944"	273.97726	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2Na-H"	44.97116
"177861"	251.995318	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+2Na"	45.978436
"614140"	366.498368	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+2Na"	45.978436
"1116917"	137.492268	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2Na"	45.978436
"1399221"	91.9972706666667	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H+2Na"	46.985712
"1431092"	276.018846	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H+HCOOH"	47.012746
"224075"	257.02834	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+3H2O+2H"	56.04448
"1514325"	290.07089	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+IsoProp+H"	61.06479
"410731"	259.982288	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+Na+K"	61.952376
"773182"	374.485338	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+Na+K"	61.952376
"1666597"	145.479238	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Na+K"	61.952376
"253119"	522.027968	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+ACN+Na"	64.015768
"1227278"	293.021868	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+ACN+Na"	64.015768
"1727008"	293.045393	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+NH4+HCOOH"	64.039293
"1192479"	99.3245846666667	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+3Na"	68.967654
"1663349"	298.000788	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Na+HCOOH"	68.994688
"169968"	534.93124	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+2K-H"	76.91904
"608796"	763.93734	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+2K-H"	76.91904
"1095498"	305.92514	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2K-H"	76.91904
"154503"	267.969258	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"2M+2K"	77.926316
"595522"	382.472308	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"3M+2K"	77.926316
"1081494"	153.466208	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2K"	77.926316
"1111783"	307.939692	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2K+H"	78.933592
"1348535"	308.027307	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+DMSO+H"	79.021207
"1017790"	312.066476	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2ACN+H"	83.060376
"1538102"	313.060108	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+IsoProp+Na+H"	84.054008
"1002363"	156.536876	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+2ACN+2H"	84.067652
"1596867"	313.974728	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+K+HCOOH"	84.968628
"1425804"	344.006238	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+H+CF3COOH"	115.000138
"1161440"	177.050151	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+3ACN+2H"	125.094202
"1711111"	361.032785	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+NH4+CF3COOH"	132.026685
"1646763"	365.98818	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+Na+CF3COOH"	136.98208
"1581318"	381.96212	"C19046"	"Chloranocryl"	"C10H9Cl2NO"	"229.0061"	"M+K+CF3COOH"	152.95602
"808404"	185.1164	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M"	0
"977561"	166.09801	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-H2O-H"	-19.01839
"63618"	122.403657333333	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M-3H"	-3.021828
"504636"	184.109124	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M-3H"	-3.021828
"882438"	60.6981906666667	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-3H"	-3.021828
"5022"	184.109124	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M-2H"	-2.014552
"441298"	276.667324	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M-2H"	-2.014552
"818365"	91.550924	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-2H"	-2.014552
"81639"	369.225524	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M-H"	-1.007276
"519861"	554.341924	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M-H"	-1.007276
"898272"	184.109124	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-H"	-1.007276
"48513"	386.252071	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M-2H+NH4"	16.019271
"490753"	571.368471	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M-2H+NH4"	16.019271
"865637"	201.135671	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-2H+NH4"	16.019271
"32566"	391.207466	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M-2H+Na"	20.974666
"473589"	576.323866	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M-2H+Na"	20.974666
"849687"	206.091066	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-2H+Na"	20.974666
"1622993"	206.091066	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Na-2H"	20.974666
"99526"	202.097463	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M-H+Cl"	33.962126
"541276"	294.655663	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M-H+Cl"	33.962126
"935882"	109.539263	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-H+Cl"	33.962126
"273344"	405.202202	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+Cl"	34.969402
"665769"	590.318602	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+Cl"	34.969402
"1282551"	220.085802	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Cl"	34.969402
"31035"	407.181406	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M-2H+K"	36.948606
"469052"	592.297806	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M-2H+K"	36.948606
"846485"	222.065006	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-2H+K"	36.948606
"1569607"	222.065006	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+K-2H"	36.948606
"958066"	230.114594	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-H+HCOOH"	44.998194
"377049"	415.231001	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+HCOOH-H"	44.998201
"361228"	429.246651	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+Hac-H"	59.013851
"1508348"	244.130251	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Hac-H"	59.013851
"971830"	252.096551	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-H+NaCOOH"	66.980151
"125437"	220.085802	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+2Cl"	69.938804
"561874"	312.644002	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+2Cl"	69.938804
"1033954"	127.527602	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2Cl"	69.938804
"1256450"	264.035285	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Br"	78.918885
"1310514"	266.091272	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Cl+HCOOH"	80.974872
"1322541"	288.073229	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Cl+NaCOOH"	102.956829
"914695"	298.101986	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M-H+CF3COOH"	112.985586
"1289941"	334.078664	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Cl+CF3COOH"	148.962264
"1368471"	150.103724	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H-2H2O"	-35.012676
"1384144"	168.1137	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H-H2O"	-17.0027
"288937"	371.240076	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+H"	1.007276
"683550"	556.356476	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+H"	1.007276
"1356618"	186.123676	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H"	1.007276
"129140"	186.123676	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+2H"	2.014552
"570163"	278.681876	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+2H"	2.014552
"1040419"	93.565476	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2H"	2.014552
"207953"	124.418209333333	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+3H"	3.021828
"649712"	186.123676	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+3H"	3.021828
"1165650"	62.7127426666667	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+3H"	3.021828
"426735"	388.266623	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+NH4"	18.033823
"792108"	573.383023	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+NH4"	18.033823
"1687345"	203.150223	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+NH4"	18.033823
"333435"	194.6369495	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+H+NH4"	19.041099
"726588"	287.1951495	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+H+NH4"	19.041099
"1478586"	102.0787495	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H+NH4"	19.041099
"397271"	393.222018	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+Na"	22.989218
"757173"	578.338418	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+Na"	22.989218
"1608918"	208.105618	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Na"	22.989218
"320778"	197.114647	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+H+Na"	23.996494
"708943"	289.672847	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+H+Na"	23.996494
"1464831"	104.556447	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H+Na"	23.996494
"1056983"	70.0400566666667	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2H+Na"	25.00377
"1260117"	218.149886	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+CH3OH+H"	33.033486
"381608"	409.195958	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+K"	38.963158
"742239"	594.312358	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+K"	38.963158
"1542104"	224.079558	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+K"	38.963158
"302925"	205.101617	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+H+K"	39.970434
"694252"	297.659817	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+H+K"	39.970434
"1447709"	112.543417	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H+K"	39.970434
"243242"	412.266626	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+ACN+H"	42.033826
"1215950"	227.150226	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+ACN+H"	42.033826
"1206397"	114.078751	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+ACN+2H"	43.041102
"195988"	415.20396	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+2Na-H"	44.97116
"635547"	600.32036	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+2Na-H"	44.97116
"1139054"	230.08756	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2Na-H"	44.97116
"177971"	208.105618	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+2Na"	45.978436
"615344"	300.663818	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+2Na"	45.978436
"1119943"	115.547418	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2Na"	45.978436
"1400186"	77.3673706666667	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H+2Na"	46.985712
"1431934"	232.129146	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H+HCOOH"	47.012746
"226372"	213.13864	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+3H2O+2H"	56.04448
"1514435"	246.18119	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+IsoProp+H"	61.06479
"413027"	216.092588	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+Na+K"	61.952376
"771835"	308.650788	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+Na+K"	61.952376
"1668531"	123.534388	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Na+K"	61.952376
"252374"	434.248568	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+ACN+Na"	64.015768
"1227508"	249.132168	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+ACN+Na"	64.015768
"1722493"	249.155693	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+NH4+HCOOH"	64.039293
"1193682"	84.6946846666667	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+3Na"	68.967654
"1662480"	254.111088	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Na+HCOOH"	68.994688
"170806"	447.15184	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+2K-H"	76.91904
"610729"	632.26824	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+2K-H"	76.91904
"1097067"	262.03544	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2K-H"	76.91904
"154979"	224.079558	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"2M+2K"	77.926316
"595992"	316.637758	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"3M+2K"	77.926316
"1082331"	131.521358	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2K"	77.926316
"1112986"	264.049992	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2K+H"	78.933592
"1349009"	264.137607	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+DMSO+H"	79.021207
"1019358"	268.176776	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2ACN+H"	83.060376
"1537483"	269.170408	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+IsoProp+Na+H"	84.054008
"1000286"	134.592026	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+2ACN+2H"	84.067652
"1598070"	270.085028	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+K+HCOOH"	84.968628
"1424821"	300.116538	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+H+CF3COOH"	115.000138
"1160942"	155.105301	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+3ACN+2H"	125.094202
"1710128"	317.143085	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+NH4+CF3COOH"	132.026685
"1646873"	322.09848	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+Na+CF3COOH"	136.98208
"1581428"	338.07242	"C19047"	"Isocarbamid"	"C8H15N3O2"	"185.1164"	"M+K+CF3COOH"	152.95602
"811794"	316.9413	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M"	0
"976578"	297.92291	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-H2O-H"	-19.01839
"68103"	210.286924	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M-3H"	-3.021828
"506569"	315.934024	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M-3H"	-3.021828
"886558"	104.639824	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-3H"	-3.021828
"306"	315.934024	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M-2H"	-2.014552
"440552"	474.404674	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M-2H"	-2.014552
"817753"	157.463374	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-2H"	-2.014552
"79927"	632.875324	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M-H"	-1.007276
"519611"	949.816624	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M-H"	-1.007276
"896925"	315.934024	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-H"	-1.007276
"47162"	649.901871	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M-2H+NH4"	16.019271
"490499"	966.843171	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M-2H+NH4"	16.019271
"869394"	332.960571	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-2H+NH4"	16.019271
"31822"	654.857266	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M-2H+Na"	20.974666
"471877"	971.798566	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M-2H+Na"	20.974666
"848656"	337.915966	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-2H+Na"	20.974666
"1624200"	337.915966	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Na-2H"	20.974666
"101823"	333.922363	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M-H+Cl"	33.962126
"540292"	492.393013	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M-H+Cl"	33.962126
"932711"	175.451713	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-H+Cl"	33.962126
"276735"	668.852002	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+Cl"	34.969402
"666969"	985.793302	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+Cl"	34.969402
"1286671"	351.910702	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Cl"	34.969402
"31340"	670.831206	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M-2H+K"	36.948606
"470255"	987.772506	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M-2H+K"	36.948606
"845865"	353.889906	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-2H+K"	36.948606
"1569352"	353.889906	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+K-2H"	36.948606
"958395"	361.939494	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-H+HCOOH"	44.998194
"376915"	678.880801	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+HCOOH-H"	44.998201
"360877"	692.896451	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+Hac-H"	59.013851
"1508173"	375.955151	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Hac-H"	59.013851
"974110"	383.921451	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-H+NaCOOH"	66.980151
"124249"	351.910702	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+2Cl"	69.938804
"565389"	510.381352	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+2Cl"	69.938804
"1035523"	193.440052	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2Cl"	69.938804
"1254372"	395.860185	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Br"	78.918885
"1309531"	397.916172	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Cl+HCOOH"	80.974872
"1321559"	419.898129	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Cl+NaCOOH"	102.956829
"913711"	429.926886	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M-H+CF3COOH"	112.985586
"1289810"	465.903564	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Cl+CF3COOH"	148.962264
"1367244"	281.928624	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H-2H2O"	-35.012676
"1383283"	299.9386	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H-H2O"	-17.0027
"293422"	634.889876	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+H"	1.007276
"681469"	951.831176	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+H"	1.007276
"1355629"	317.948576	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H"	1.007276
"132897"	317.948576	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+2H"	2.014552
"569180"	476.419226	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+2H"	2.014552
"1040165"	159.477926	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2H"	2.014552
"209158"	212.301476	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+3H"	3.021828
"648729"	317.948576	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+3H"	3.021828
"1164667"	106.654376	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+3H"	3.021828
"425386"	651.916423	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+NH4"	18.033823
"793311"	968.857723	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+NH4"	18.033823
"1689643"	334.975123	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+NH4"	18.033823
"333910"	326.4618495	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+H+NH4"	19.041099
"727064"	484.9324995	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+H+NH4"	19.041099
"1484166"	167.9911995	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H+NH4"	19.041099
"398474"	656.871818	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+Na"	22.989218
"761655"	973.813118	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+Na"	22.989218
"1609757"	339.930518	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Na"	22.989218
"320888"	328.939547	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+H+Na"	23.996494
"712212"	487.410197	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+H+Na"	23.996494
"1469314"	170.468897	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H+Na"	23.996494
"1057092"	113.98169	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2H+Na"	25.00377
"1260228"	349.974786	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+CH3OH+H"	33.033486
"379167"	672.845758	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+K"	38.963158
"741256"	989.787058	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+K"	38.963158
"1543308"	355.904458	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+K"	38.963158
"301941"	336.926517	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+H+K"	39.970434
"692661"	495.397167	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+H+K"	39.970434
"1447090"	178.455867	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H+K"	39.970434
"243352"	675.916426	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+ACN+H"	42.033826
"1214967"	358.975126	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+ACN+H"	42.033826
"1206507"	179.991201	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+ACN+2H"	43.041102
"202661"	678.85376	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+2Na-H"	44.97116
"637844"	995.79506	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+2Na-H"	44.97116
"1141351"	361.91246	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2Na-H"	44.97116
"179174"	339.930518	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+2Na"	45.978436
"619828"	498.401168	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+2Na"	45.978436
"1122239"	181.459868	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2Na"	45.978436
"1399320"	121.309004	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H+2Na"	46.985712
"1436785"	363.954046	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H+HCOOH"	47.012746
"221132"	344.96354	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+3H2O+2H"	56.04448
"1513450"	378.00609	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+IsoProp+H"	61.06479
"415323"	347.917488	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+Na+K"	61.952376
"776320"	506.388138	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+Na+K"	61.952376
"1666691"	189.446838	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Na+K"	61.952376
"252117"	697.898368	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+ACN+Na"	64.015768
"1227142"	380.957068	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+ACN+Na"	64.015768
"1726972"	380.980593	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+NH4+HCOOH"	64.039293
"1193870"	128.636318	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+3Na"	68.967654
"1664655"	385.935988	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Na+HCOOH"	68.994688
"170795"	710.80164	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+2K-H"	76.91904
"609748"	1027.74294	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+2K-H"	76.91904
"1097902"	393.86034	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2K-H"	76.91904
"153630"	355.904458	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"2M+2K"	77.926316
"595009"	514.375108	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"3M+2K"	77.926316
"1079889"	197.433808	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2K"	77.926316
"1112003"	395.874892	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2K+H"	78.933592
"1348023"	395.962507	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+DMSO+H"	79.021207
"1019468"	400.001676	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2ACN+H"	83.060376
"1532857"	400.995308	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+IsoProp+Na+H"	84.054008
"998210"	200.504476	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+2ACN+2H"	84.067652
"1597086"	401.909928	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+K+HCOOH"	84.968628
"1424933"	431.941438	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+H+CF3COOH"	115.000138
"1161054"	221.017751	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+3ACN+2H"	125.094202
"1710970"	448.967985	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+NH4+CF3COOH"	132.026685
"1646983"	453.92338	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+Na+CF3COOH"	136.98208
"1581538"	469.89732	"C19048"	"Quinonamid"	"C12H6Cl3NO3"	"316.9413"	"M+K+CF3COOH"	152.95602
"811904"	229.0061	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M"	0
"975595"	209.98771	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-H2O-H"	-19.01839
"63040"	151.663457333333	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M-3H"	-3.021828
"506679"	227.998824	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M-3H"	-3.021828
"883389"	75.3280906666667	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-3H"	-3.021828
"1718"	227.998824	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M-2H"	-2.014552
"440018"	342.501874	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M-2H"	-2.014552
"817858"	113.495774	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-2H"	-2.014552
"80400"	457.004924	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M-H"	-1.007276
"519964"	686.011024	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M-H"	-1.007276
"898128"	227.998824	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-H"	-1.007276
"48978"	474.031471	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M-2H+NH4"	16.019271
"492796"	703.037571	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M-2H+NH4"	16.019271
"869869"	245.025371	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-2H+NH4"	16.019271
"32663"	478.986866	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M-2H+Na"	20.974666
"472270"	707.992966	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M-2H+Na"	20.974666
"849099"	249.980766	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-2H+Na"	20.974666
"1623217"	249.980766	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Na-2H"	20.974666
"96832"	245.987163	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M-H+Cl"	33.962126
"540402"	360.490213	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M-H+Cl"	33.962126
"928449"	131.484113	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-H+Cl"	33.962126
"273566"	492.981602	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+Cl"	34.969402
"663800"	721.987702	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+Cl"	34.969402
"1286052"	263.975502	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Cl"	34.969402
"30797"	494.960806	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M-2H+K"	36.948606
"470852"	723.966906	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M-2H+K"	36.948606
"847195"	265.954706	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-2H+K"	36.948606
"1568006"	265.954706	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+K-2H"	36.948606
"957712"	274.004294	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-H+HCOOH"	44.998194
"376535"	503.010401	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+HCOOH-H"	44.998201
"360539"	517.026051	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+Hac-H"	59.013851
"1508339"	288.019951	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Hac-H"	59.013851
"973268"	295.986251	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-H+NaCOOH"	66.980151
"121079"	263.975502	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+2Cl"	69.938804
"562825"	378.478552	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+2Cl"	69.938804
"1035634"	149.472452	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2Cl"	69.938804
"1253753"	307.924985	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Br"	78.918885
"1308548"	309.980972	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Cl+HCOOH"	80.974872
"1320088"	331.962929	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Cl+NaCOOH"	102.956829
"916008"	341.991686	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M-H+CF3COOH"	112.985586
"1288700"	377.968364	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Cl+CF3COOH"	148.962264
"1367720"	193.993424	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H-2H2O"	-35.012676
"1383149"	212.0034	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H-H2O"	-17.0027
"290252"	459.019476	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+H"	1.007276
"682672"	688.025576	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+H"	1.007276
"1357926"	230.013376	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H"	1.007276
"130820"	230.013376	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+2H"	2.014552
"570383"	344.516426	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+2H"	2.014552
"1039182"	115.510326	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2H"	2.014552
"206474"	153.678009333333	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+3H"	3.021828
"653212"	230.013376	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+3H"	3.021828
"1164777"	77.3426426666667	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+3H"	3.021828
"424767"	476.046023	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+NH4"	18.033823
"793422"	705.052123	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+NH4"	18.033823
"1689753"	247.039923	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+NH4"	18.033823
"333656"	238.5266495	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+H+NH4"	19.041099
"729361"	353.0296995	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+H+NH4"	19.041099
"1487556"	124.0235995	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H+NH4"	19.041099
"397491"	481.001418	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+Na"	22.989218
"756299"	710.007518	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+Na"	22.989218
"1603786"	251.995318	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Na"	22.989218
"324280"	241.004347	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+H+Na"	23.996494
"709044"	355.507397	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+H+Na"	23.996494
"1466147"	126.501297	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H+Na"	23.996494
"1054286"	84.6699566666667	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2H+Na"	25.00377
"1260705"	262.039586	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+CH3OH+H"	33.033486
"379280"	496.975358	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+K"	38.963158
"739910"	725.981458	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+K"	38.963158
"1541232"	267.969258	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+K"	38.963158
"302418"	248.991317	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+H+K"	39.970434
"692285"	363.494367	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+H+K"	39.970434
"1446469"	134.488267	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H+K"	39.970434
"243462"	500.046026	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+ACN+H"	42.033826
"1211797"	271.039926	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+ACN+H"	42.033826
"1202242"	136.023601	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+ACN+2H"	43.041102
"191103"	502.98336	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+2Na-H"	44.97116
"631026"	731.98946	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+2Na-H"	44.97116
"1135989"	273.97726	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2Na-H"	44.97116
"178185"	251.995318	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+2Na"	45.978436
"618840"	366.498368	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+2Na"	45.978436
"1117601"	137.492268	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2Na"	45.978436
"1400396"	91.9972706666667	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H+2Na"	46.985712
"1431419"	276.018846	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H+HCOOH"	47.012746
"221116"	257.02834	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+3H2O+2H"	56.04448
"1508812"	290.07089	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+IsoProp+H"	61.06479
"410695"	259.982288	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+Na+K"	61.952376
"770231"	374.485338	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+Na+K"	61.952376
"1665952"	145.479238	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Na+K"	61.952376
"251497"	522.027968	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+ACN+Na"	64.015768
"1225657"	293.021868	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+ACN+Na"	64.015768
"1719788"	293.045393	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+NH4+HCOOH"	64.039293
"1185144"	99.3245846666667	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+3Na"	68.967654
"1665335"	298.000788	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Na+HCOOH"	68.994688
"170663"	534.93124	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+2K-H"	76.91904
"609495"	763.93734	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+2K-H"	76.91904
"1098012"	305.92514	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2K-H"	76.91904
"154835"	267.969258	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"2M+2K"	77.926316
"595971"	382.472308	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"3M+2K"	77.926316
"1081092"	153.466208	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2K"	77.926316
"1109928"	307.939692	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2K+H"	78.933592
"1348133"	308.027307	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+DMSO+H"	79.021207
"1017028"	312.066476	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2ACN+H"	83.060376
"1536978"	313.060108	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+IsoProp+Na+H"	84.054008
"1002692"	156.536876	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+2ACN+2H"	84.067652
"1599382"	313.974728	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+K+HCOOH"	84.968628
"1426137"	344.006238	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+H+CF3COOH"	115.000138
"1160801"	177.050151	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+3ACN+2H"	125.094202
"1709258"	361.032785	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+NH4+CF3COOH"	132.026685
"1648186"	365.98818	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+Na+CF3COOH"	136.98208
"1581648"	381.96212	"C19049"	"Cypromid"	"C10H9Cl2NO"	"229.0061"	"M+K+CF3COOH"	152.95602
"802173"	283.1339	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M"	0
"974608"	264.11551	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-H2O-H"	-19.01839
"63583"	187.748657333333	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M-3H"	-3.021828
"502997"	282.126624	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M-3H"	-3.021828
"882406"	93.3706906666666	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-3H"	-3.021828
"1707"	282.126624	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H"	-2.014552
"440161"	423.693574	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H"	-2.014552
"817483"	140.559674	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-2H"	-2.014552
"79420"	565.260524	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M-H"	-1.007276
"519221"	848.394424	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M-H"	-1.007276
"898115"	282.126624	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-H"	-1.007276
"50427"	582.287071	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H+NH4"	16.019271
"493999"	865.420971	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H+NH4"	16.019271
"867426"	299.153171	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-2H+NH4"	16.019271
"33624"	587.242466	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H+Na"	20.974666
"472339"	870.376366	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H+Na"	20.974666
"849165"	304.108566	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-2H+Na"	20.974666
"1618703"	304.108566	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Na-2H"	20.974666
"96578"	300.114963	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M-H+Cl"	33.962126
"538324"	441.681913	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M-H+Cl"	33.962126
"929652"	158.548013	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-H+Cl"	33.962126
"273676"	601.237202	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+Cl"	34.969402
"661723"	884.371102	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+Cl"	34.969402
"1286162"	318.103302	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl"	34.969402
"29086"	603.216406	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M-2H+K"	36.948606
"471220"	886.350306	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M-2H+K"	36.948606
"847063"	320.082506	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-2H+K"	36.948606
"1569209"	320.082506	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+K-2H"	36.948606
"957702"	328.132094	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-H+HCOOH"	44.998194
"376401"	611.266001	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+HCOOH-H"	44.998201
"360776"	625.281651	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+Hac-H"	59.013851
"1507179"	342.147751	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Hac-H"	59.013851
"973863"	350.114051	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-H+NaCOOH"	66.980151
"122647"	318.103302	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+2Cl"	69.938804
"560019"	459.670252	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+2Cl"	69.938804
"1035744"	176.536352	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2Cl"	69.938804
"1250583"	362.052785	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Br"	78.918885
"1309751"	364.108772	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl+HCOOH"	80.974872
"1322143"	386.090729	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl+NaCOOH"	102.956829
"911739"	396.119486	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M-H+CF3COOH"	112.985586
"1288810"	432.096164	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Cl+CF3COOH"	148.962264
"1368193"	248.121224	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H-2H2O"	-35.012676
"1383867"	266.1312	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H-H2O"	-17.0027
"288175"	567.275076	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+H"	1.007276
"681689"	850.408976	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+H"	1.007276
"1356942"	284.141176	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H"	1.007276
"132024"	284.141176	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+2H"	2.014552
"570493"	425.708126	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+2H"	2.014552
"1041482"	142.574226	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2H"	2.014552
"209378"	189.763209333333	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+3H"	3.021828
"647125"	284.141176	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+3H"	3.021828
"1163062"	95.3852426666667	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+3H"	3.021828
"424877"	584.301623	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+NH4"	18.033823
"791343"	867.435523	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+NH4"	18.033823
"1688769"	301.167723	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+NH4"	18.033823
"333766"	292.6544495	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+H+NH4"	19.041099
"726191"	434.2213995	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+H+NH4"	19.041099
"1487666"	151.0874995	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H+NH4"	19.041099
"400881"	589.257018	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+Na"	22.989218
"759689"	872.390918	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+Na"	22.989218
"1606693"	306.123118	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Na"	22.989218
"321110"	295.132147	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+H+Na"	23.996494
"709883"	436.699097	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+H+Na"	23.996494
"1469538"	153.565197	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H+Na"	23.996494
"1055856"	102.712556666667	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2H+Na"	25.00377
"1260451"	316.167386	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+CH3OH+H"	33.033486
"380118"	605.230958	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+K"	38.963158
"740381"	888.364858	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+K"	38.963158
"1541703"	322.097058	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+K"	38.963158
"299611"	303.119117	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+H+K"	39.970434
"693124"	444.686067	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+H+K"	39.970434
"1446456"	161.552167	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H+K"	39.970434
"243572"	608.301626	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+ACN+H"	42.033826
"1215187"	325.167726	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+ACN+H"	42.033826
"1202352"	163.087501	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+ACN+2H"	43.041102
"190849"	611.23896	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+2Na-H"	44.97116
"632959"	894.37286	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+2Na-H"	44.97116
"1136463"	328.10506	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2Na-H"	44.97116
"176471"	306.123118	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+2Na"	45.978436
"615670"	447.690068	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+2Na"	45.978436
"1116619"	164.556168	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2Na"	45.978436
"1399536"	110.039870666667	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H+2Na"	46.985712
"1431534"	330.146646	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H+HCOOH"	47.012746
"220741"	311.15614	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+3H2O+2H"	56.04448
"1510014"	344.19869	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+IsoProp+H"	61.06479
"411169"	314.110088	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+Na+K"	61.952376
"770461"	455.677038	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+Na+K"	61.952376
"1666304"	172.543138	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Na+K"	61.952376
"251853"	630.283568	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+ACN+Na"	64.015768
"1225846"	347.149668	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+ACN+Na"	64.015768
"1719898"	347.173193	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+NH4+HCOOH"	64.039293
"1183064"	117.367184666667	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+3Na"	68.967654
"1658429"	352.128588	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Na+HCOOH"	68.994688
"169664"	643.18684	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+2K-H"	76.91904
"610324"	926.32074	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+2K-H"	76.91904
"1097030"	360.05294	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2K-H"	76.91904
"155669"	322.097058	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"2M+2K"	77.926316
"596322"	463.664008	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"3M+2K"	77.926316
"1079016"	180.530108	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2K"	77.926316
"1112225"	362.067492	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2K+H"	78.933592
"1347516"	362.155107	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+DMSO+H"	79.021207
"1018231"	366.194276	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2ACN+H"	83.060376
"1537450"	367.187908	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+IsoProp+Na+H"	84.054008
"1001710"	183.600776	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+2ACN+2H"	84.067652
"1600586"	368.102528	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+K+HCOOH"	84.968628
"1426248"	398.134038	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+H+CF3COOH"	115.000138
"1161638"	204.114051	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+3ACN+2H"	125.094202
"1710461"	415.160585	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+NH4+CF3COOH"	132.026685
"1648296"	420.11598	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+Na+CF3COOH"	136.98208
"1581758"	436.08992	"C19050"	"Delachlor"	"C15H22ClNO2"	"283.1339"	"M+K+CF3COOH"	152.95602
"805563"	311.1288	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M"	0
"975568"	292.11041	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-H2O-H"	-19.01839
"63691"	206.411924	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M-3H"	-3.021828
"503856"	310.121524	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M-3H"	-3.021828
"882516"	102.702324	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-3H"	-3.021828
"1210"	310.121524	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M-2H"	-2.014552
"441738"	465.685924	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M-2H"	-2.014552
"818811"	154.557124	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-2H"	-2.014552
"81717"	621.250324	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M-H"	-1.007276
"521275"	932.379124	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M-H"	-1.007276
"899444"	310.121524	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-H"	-1.007276
"53091"	638.276871	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M-2H+NH4"	16.019271
"497390"	949.405671	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M-2H+NH4"	16.019271
"871181"	327.148071	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-2H+NH4"	16.019271
"35439"	643.232266	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M-2H+Na"	20.974666
"475365"	954.361066	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M-2H+Na"	20.974666
"850980"	332.103466	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-2H+Na"	20.974666
"1622343"	332.103466	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Na-2H"	20.974666
"95958"	328.109863	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M-H+Cl"	33.962126
"535154"	483.674263	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M-H+Cl"	33.962126
"927939"	172.545463	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-H+Cl"	33.962126
"268319"	657.227002	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+Cl"	34.969402
"661833"	968.355802	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+Cl"	34.969402
"1284815"	346.098202	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Cl"	34.969402
"29075"	659.206206	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M-2H+K"	36.948606
"471084"	970.335006	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M-2H+K"	36.948606
"846201"	348.077406	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-2H+K"	36.948606
"1569684"	348.077406	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+K-2H"	36.948606
"955385"	356.126994	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-H+HCOOH"	44.998194
"375541"	667.255801	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+HCOOH-H"	44.998201
"359305"	681.271451	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+Hac-H"	59.013851
"1505952"	370.142651	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Hac-H"	59.013851
"972275"	378.108951	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-H+NaCOOH"	66.980151
"123850"	346.098202	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+2Cl"	69.938804
"561222"	501.662602	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+2Cl"	69.938804
"1034395"	190.533802	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2Cl"	69.938804
"1255433"	390.047685	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Br"	78.918885
"1314235"	392.103672	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Cl+HCOOH"	80.974872
"1327356"	414.085629	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Cl+NaCOOH"	102.956829
"916229"	424.114386	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M-H+CF3COOH"	112.985586
"1296216"	460.091064	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Cl+CF3COOH"	148.962264
"1370007"	276.116124	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H-2H2O"	-35.012676
"1388598"	294.1261	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H-H2O"	-17.0027
"289380"	623.264876	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+H"	1.007276
"680707"	934.393676	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+H"	1.007276
"1357051"	312.136076	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H"	1.007276
"131040"	312.136076	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+2H"	2.014552
"570603"	467.700476	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+2H"	2.014552
"1043778"	156.571676	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2H"	2.014552
"209490"	208.426476	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+3H"	3.021828
"647235"	312.136076	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+3H"	3.021828
"1163903"	104.716876	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+3H"	3.021828
"425593"	640.291423	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+NH4"	18.033823
"789266"	951.420223	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+NH4"	18.033823
"1687784"	329.162623	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+NH4"	18.033823
"333876"	320.6493495	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+H+NH4"	19.041099
"729578"	476.2137495	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+H+NH4"	19.041099
"1484496"	165.0849495	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H+NH4"	19.041099
"400988"	645.246818	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+Na"	22.989218
"759799"	956.375618	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+Na"	22.989218
"1606803"	334.118018	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Na"	22.989218
"318303"	323.127047	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+H+Na"	23.996494
"711449"	478.691447	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+H+Na"	23.996494
"1463083"	167.562647	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H+Na"	23.996494
"1055601"	112.04419	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2H+Na"	25.00377
"1260195"	344.162286	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+CH3OH+H"	33.033486
"379863"	661.220758	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+K"	38.963158
"740125"	972.349558	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+K"	38.963158
"1542543"	350.091958	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+K"	38.963158
"300449"	331.114017	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+H+K"	39.970434
"693960"	486.678417	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+H+K"	39.970434
"1447418"	175.549617	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H+K"	39.970434
"243682"	664.291426	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+ACN+H"	42.033826
"1214204"	353.162626	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+ACN+H"	42.033826
"1201369"	177.084951	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+ACN+2H"	43.041102
"193146"	667.22876	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+2Na-H"	44.97116
"633069"	978.35756	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+2Na-H"	44.97116
"1135477"	356.09996	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2Na-H"	44.97116
"176945"	334.118018	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+2Na"	45.978436
"615048"	489.682418	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+2Na"	45.978436
"1118189"	178.553618	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2Na"	45.978436
"1400621"	119.371504	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H+2Na"	46.985712
"1430913"	358.141546	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H+HCOOH"	47.012746
"222432"	339.15104	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+3H2O+2H"	56.04448
"1510129"	372.19359	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+IsoProp+H"	61.06479
"410914"	342.104988	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+Na+K"	61.952376
"770814"	497.669388	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+Na+K"	61.952376
"1666328"	186.540588	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Na+K"	61.952376
"252329"	686.273368	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+ACN+Na"	64.015768
"1226124"	375.144568	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+ACN+Na"	64.015768
"1721101"	375.168093	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+NH4+HCOOH"	64.039293
"1183174"	126.698818	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+3Na"	68.967654
"1660725"	380.123488	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Na+HCOOH"	68.994688
"169773"	699.17664	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+2K-H"	76.91904
"611162"	1010.30544	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+2K-H"	76.91904
"1098593"	388.04784	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2K-H"	76.91904
"153958"	350.091958	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"2M+2K"	77.926316
"594247"	505.656358	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"3M+2K"	77.926316
"1080217"	194.527558	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2K"	77.926316
"1111969"	390.062392	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2K+H"	78.933592
"1347627"	390.150007	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+DMSO+H"	79.021207
"1017980"	394.189176	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2ACN+H"	83.060376
"1535372"	395.182808	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+IsoProp+Na+H"	84.054008
"1002913"	197.598226	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+2ACN+2H"	84.067652
"1599603"	396.097428	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+K+HCOOH"	84.968628
"1427450"	426.128938	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+H+CF3COOH"	115.000138
"1161019"	218.111501	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+3ACN+2H"	125.094202
"1710207"	443.155485	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+NH4+CF3COOH"	132.026685
"1648406"	448.11088	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+Na+CF3COOH"	136.98208
"1581868"	464.08482	"C19051"	"Diethatyl-ethyl"	"C16H22ClNO3"	"311.1288"	"M+K+CF3COOH"	152.95602
"805673"	321.0568	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M"	0
"979203"	302.03841	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-H2O-H"	-19.01839
"64532"	213.030590666667	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M-3H"	-3.021828
"505184"	320.049524	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M-3H"	-3.021828
"886999"	106.011657333333	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-3H"	-3.021828
"3386"	320.049524	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M-2H"	-2.014552
"442214"	480.577924	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M-2H"	-2.014552
"820744"	159.521124	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-2H"	-2.014552
"86205"	641.106324	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M-H"	-1.007276
"523579"	962.163124	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M-H"	-1.007276
"900287"	320.049524	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-H"	-1.007276
"53567"	658.132871	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M-2H+NH4"	16.019271
"494220"	979.189671	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M-2H+NH4"	16.019271
"875302"	337.076071	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-2H+NH4"	16.019271
"39924"	663.088266	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M-2H+Na"	20.974666
"475475"	984.145066	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M-2H+Na"	20.974666
"851455"	342.031466	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-2H+Na"	20.974666
"1621359"	342.031466	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Na-2H"	20.974666
"100077"	338.037863	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M-H+Cl"	33.962126
"537449"	498.566263	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M-H+Cl"	33.962126
"929143"	177.509463	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-H+Cl"	33.962126
"270616"	677.083002	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+Cl"	34.969402
"661456"	998.139802	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+Cl"	34.969402
"1286749"	356.026202	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Cl"	34.969402
"28944"	679.062206	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M-2H+K"	36.948606
"470952"	1000.119006	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M-2H+K"	36.948606
"847407"	358.005406	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-2H+K"	36.948606
"1570409"	358.005406	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+K-2H"	36.948606
"957316"	366.054994	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-H+HCOOH"	44.998194
"375893"	687.111801	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+HCOOH-H"	44.998201
"359781"	701.127451	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+Hac-H"	59.013851
"1506429"	380.070651	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Hac-H"	59.013851
"972502"	388.036951	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-H+NaCOOH"	66.980151
"121775"	356.026202	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+2Cl"	69.938804
"564613"	516.554602	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+2Cl"	69.938804
"1035480"	195.497802	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2Cl"	69.938804
"1254813"	399.975685	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Br"	78.918885
"1318358"	402.031672	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Cl+HCOOH"	80.974872
"1331477"	424.013629	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Cl+NaCOOH"	102.956829
"921806"	434.042386	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M-H+CF3COOH"	112.985586
"1298514"	470.019064	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Cl+CF3COOH"	148.962264
"1372667"	286.044124	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H-2H2O"	-35.012676
"1388708"	304.0541	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H-H2O"	-17.0027
"292770"	643.120876	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+H"	1.007276
"683004"	964.177676	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+H"	1.007276
"1359349"	322.064076	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H"	1.007276
"132243"	322.064076	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+2H"	2.014552
"570713"	482.592476	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+2H"	2.014552
"1041701"	161.535676	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2H"	2.014552
"208507"	215.045142666667	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+3H"	3.021828
"650261"	322.064076	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+3H"	3.021828
"1164013"	108.026209333333	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+3H"	3.021828
"424732"	660.147423	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+NH4"	18.033823
"788283"	981.204223	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+NH4"	18.033823
"1686801"	339.090623	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+NH4"	18.033823
"337266"	330.5773495	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+H+NH4"	19.041099
"729688"	491.1057495	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+H+NH4"	19.041099
"1484606"	170.0489495	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H+NH4"	19.041099
"404378"	665.102818	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+Na"	22.989218
"759909"	986.159618	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+Na"	22.989218
"1606913"	344.046018	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Na"	22.989218
"320232"	333.055047	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+H+Na"	23.996494
"710464"	493.583447	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+H+Na"	23.996494
"1462461"	172.526647	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H+Na"	23.996494
"1053521"	115.353523333333	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2H+Na"	25.00377
"1257260"	354.090286	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+CH3OH+H"	33.033486
"378141"	681.076758	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+K"	38.963158
"739139"	1002.133558	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+K"	38.963158
"1541559"	360.019958	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+K"	38.963158
"300192"	341.042017	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+H+K"	39.970434
"693343"	501.570417	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+H+K"	39.970434
"1448623"	180.513617	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H+K"	39.970434
"245977"	684.147426	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+ACN+H"	42.033826
"1219781"	363.090626	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+ACN+H"	42.033826
"1200385"	182.048951	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+ACN+2H"	43.041102
"196536"	687.08476	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+2Na-H"	44.97116
"632815"	1008.14156	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+2Na-H"	44.97116
"1135223"	366.02796	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2Na-H"	44.97116
"176691"	344.046018	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+2Na"	45.978436
"615279"	504.574418	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+2Na"	45.978436
"1118299"	183.517618	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2Na"	45.978436
"1401460"	122.680837333333	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H+2Na"	46.985712
"1432116"	368.069546	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H+HCOOH"	47.012746
"225824"	349.07904	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+3H2O+2H"	56.04448
"1514978"	382.12159	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+IsoProp+H"	61.06479
"413577"	352.032988	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+Na+K"	61.952376
"770681"	512.561388	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+Na+K"	61.952376
"1665714"	191.504588	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Na+K"	61.952376
"251750"	706.129368	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+ACN+Na"	64.015768
"1226843"	385.072568	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+ACN+Na"	64.015768
"1713591"	385.096093	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+NH4+HCOOH"	64.039293
"1183648"	130.008151333333	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+3Na"	68.967654
"1658645"	390.051488	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Na+HCOOH"	68.994688
"168790"	719.03264	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+2K-H"	76.91904
"612123"	1040.08944	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+2K-H"	76.91904
"1099674"	397.97584	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2K-H"	76.91904
"153707"	360.019958	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"2M+2K"	77.926316
"592899"	520.548358	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"3M+2K"	77.926316
"1079598"	199.491558	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2K"	77.926316
"1111352"	399.990392	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2K+H"	78.933592
"1347373"	400.078007	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+DMSO+H"	79.021207
"1017361"	404.117176	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2ACN+H"	83.060376
"1534389"	405.110808	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+IsoProp+Na+H"	84.054008
"1001929"	202.562226	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+2ACN+2H"	84.067652
"1599712"	406.025428	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+K+HCOOH"	84.968628
"1427196"	436.056938	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+H+CF3COOH"	115.000138
"1161492"	223.075501	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+3ACN+2H"	125.094202
"1710317"	453.083485	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+NH4+CF3COOH"	132.026685
"1649814"	458.03888	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+Na+CF3COOH"	136.98208
"1581978"	474.01282	"C19052"	"Flamprop"	"C16H13ClFNO3"	"321.0568"	"M+K+CF3COOH"	152.95602
"802503"	239.1077	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M"	0
"974574"	220.08931	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-H2O-H"	-19.01839
"64278"	158.397857333333	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M-3H"	-3.021828
"503348"	238.100424	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M-3H"	-3.021828
"881641"	78.6952906666667	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-3H"	-3.021828
"3496"	238.100424	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M-2H"	-2.014552
"440499"	357.654274	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M-2H"	-2.014552
"817410"	118.546574	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-2H"	-2.014552
"80115"	477.208124	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M-H"	-1.007276
"519796"	716.315824	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M-H"	-1.007276
"898573"	238.100424	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-H"	-1.007276
"49663"	494.234671	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M-2H+NH4"	16.019271
"491777"	733.342371	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M-2H+NH4"	16.019271
"869944"	255.126971	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-2H+NH4"	16.019271
"36022"	499.190066	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M-2H+Na"	20.974666
"473761"	738.297766	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M-2H+Na"	20.974666
"849009"	260.082366	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-2H+Na"	20.974666
"1620737"	260.082366	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Na-2H"	20.974666
"95812"	256.088763	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M-H+Cl"	33.962126
"535856"	375.642613	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M-H+Cl"	33.962126
"928889"	136.534913	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-H+Cl"	33.962126
"270726"	513.184802	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+Cl"	34.969402
"660631"	752.292502	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+Cl"	34.969402
"1284306"	274.077102	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Cl"	34.969402
"29053"	515.164006	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M-2H+K"	36.948606
"470454"	754.271706	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M-2H+K"	36.948606
"848206"	276.056306	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-2H+K"	36.948606
"1571240"	276.056306	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+K-2H"	36.948606
"958115"	284.105894	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-H+HCOOH"	44.998194
"376936"	523.213601	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+HCOOH-H"	44.998201
"360983"	537.229251	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+Hac-H"	59.013851
"1507147"	298.121551	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Hac-H"	59.013851
"973342"	306.087851	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-H+NaCOOH"	66.980151
"123345"	274.077102	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+2Cl"	69.938804
"563998"	393.630952	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+2Cl"	69.938804
"1034987"	154.523252	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2Cl"	69.938804
"1254923"	318.026585	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Br"	78.918885
"1318468"	320.082572	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Cl+HCOOH"	80.974872
"1332681"	342.064529	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Cl+NaCOOH"	102.956829
"921916"	352.093286	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M-H+CF3COOH"	112.985586
"1300811"	388.069964	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Cl+CF3COOH"	148.962264
"1373506"	204.095024	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H-2H2O"	-35.012676
"1391005"	222.105	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H-H2O"	-17.0027
"292880"	479.222676	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+H"	1.007276
"684207"	718.330376	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+H"	1.007276
"1357274"	240.114976	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H"	1.007276
"131260"	240.114976	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+2H"	2.014552
"571187"	359.668826	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+2H"	2.014552
"1041081"	120.561126	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2H"	2.014552
"208981"	160.412409333333	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+3H"	3.021828
"650371"	240.114976	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+3H"	3.021828
"1164123"	80.7098426666667	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+3H"	3.021828
"426302"	496.249223	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+NH4"	18.033823
"787300"	735.356923	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+NH4"	18.033823
"1686911"	257.141523	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+NH4"	18.033823
"337376"	248.6282495	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+H+NH4"	19.041099
"729798"	368.1820995	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+H+NH4"	19.041099
"1484716"	129.0743995	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H+NH4"	19.041099
"404488"	501.204618	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+Na"	22.989218
"761112"	740.312318	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+Na"	22.989218
"1608116"	262.096918	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Na"	22.989218
"319249"	251.105947	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+H+Na"	23.996494
"708627"	370.659797	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+H+Na"	23.996494
"1462326"	131.552097	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H+Na"	23.996494
"1053995"	88.0371566666667	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2H+Na"	25.00377
"1258587"	272.141186	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+CH3OH+H"	33.033486
"378008"	517.178558	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+K"	38.963158
"739204"	756.286258	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+K"	38.963158
"1541303"	278.070858	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+K"	38.963158
"299323"	259.092917	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+H+K"	39.970434
"692360"	378.646767	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+H+K"	39.970434
"1446548"	139.539067	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H+K"	39.970434
"241713"	520.249226	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+ACN+H"	42.033826
"1218798"	281.141526	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+ACN+H"	42.033826
"1200495"	141.074401	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+ACN+2H"	43.041102
"192271"	523.18656	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+2Na-H"	44.97116
"630372"	762.29426	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+2Na-H"	44.97116
"1131928"	284.07886	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2Na-H"	44.97116
"173760"	262.096918	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+2Na"	45.978436
"614418"	381.650768	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+2Na"	45.978436
"1116829"	142.543068	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2Na"	45.978436
"1401934"	95.3644706666667	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H+2Na"	46.985712
"1430644"	286.120446	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H+HCOOH"	47.012746
"221435"	267.12994	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+3H2O+2H"	56.04448
"1511808"	300.17249	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+IsoProp+H"	61.06479
"412594"	270.083888	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+Na+K"	61.952376
"772494"	389.637738	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+Na+K"	61.952376
"1666758"	150.530038	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Na+K"	61.952376
"251698"	542.231168	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+ACN+Na"	64.015768
"1226104"	303.123468	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+ACN+Na"	64.015768
"1713533"	303.146993	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+NH4+HCOOH"	64.039293
"1178891"	102.691784666667	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+3Na"	68.967654
"1655476"	308.102388	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Na+HCOOH"	68.994688
"168900"	555.13444	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+2K-H"	76.91904
"611745"	794.24214	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+2K-H"	76.91904
"1098932"	316.02674	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2K-H"	76.91904
"153088"	278.070858	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"2M+2K"	77.926316
"594102"	397.624708	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"3M+2K"	77.926316
"1080435"	158.517008	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2K"	77.926316
"1110365"	318.041292	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2K+H"	78.933592
"1348576"	318.128907	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+DMSO+H"	79.021207
"1018927"	322.168076	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2ACN+H"	83.060376
"1534499"	323.161708	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+IsoProp+Na+H"	84.054008
"999852"	161.587676	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+2ACN+2H"	84.067652
"1598729"	324.076328	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+K+HCOOH"	84.968628
"1426575"	354.107838	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+H+CF3COOH"	115.000138
"1161966"	182.100951	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+3ACN+2H"	125.094202
"1710792"	371.134385	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+NH4+CF3COOH"	132.026685
"1649861"	376.08978	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+Na+CF3COOH"	136.98208
"1582088"	392.06372	"C19053"	"Monalide"	"C13H18ClNO"	"239.1077"	"M+K+CF3COOH"	152.95602
"802613"	379.016	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M"	0
"975774"	359.99761	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-H2O-H"	-19.01839
"64752"	251.670057333333	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M-3H"	-3.021828
"503337"	378.008724	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M-3H"	-3.021828
"880204"	125.331390666667	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-3H"	-3.021828
"520"	378.008724	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M-2H"	-2.014552
"440365"	567.516724	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M-2H"	-2.014552
"818048"	188.500724	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-2H"	-2.014552
"81316"	757.024724	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M-H"	-1.007276
"522335"	1136.040724	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M-H"	-1.007276
"898680"	378.008724	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-H"	-1.007276
"51232"	774.051271	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M-2H+NH4"	16.019271
"491158"	1153.067271	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M-2H+NH4"	16.019271
"870416"	395.035271	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-2H+NH4"	16.019271
"35769"	779.006666	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M-2H+Na"	20.974666
"476421"	1158.022666	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M-2H+Na"	20.974666
"851309"	399.990666	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-2H+Na"	20.974666
"1620486"	399.990666	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Na-2H"	20.974666
"95558"	395.997063	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M-H+Cl"	33.962126
"534707"	585.505063	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M-H+Cl"	33.962126
"927530"	206.489063	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-H+Cl"	33.962126
"270836"	793.001402	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+Cl"	34.969402
"662163"	1172.017402	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+Cl"	34.969402
"1284416"	413.985402	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Cl"	34.969402
"29163"	794.980606	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M-2H+K"	36.948606
"471296"	1173.996606	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M-2H+K"	36.948606
"848316"	415.964606	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-2H+K"	36.948606
"1570622"	415.964606	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+K-2H"	36.948606
"958144"	424.014194	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-H+HCOOH"	44.998194
"376889"	803.030201	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+HCOOH-H"	44.998201
"361091"	817.045851	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+Hac-H"	59.013851
"1506648"	438.029851	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Hac-H"	59.013851
"969807"	445.996151	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-H+NaCOOH"	66.980151
"119807"	413.985402	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+2Cl"	69.938804
"559367"	603.493402	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+2Cl"	69.938804
"1035820"	224.477402	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2Cl"	69.938804
"1249930"	457.934885	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Br"	78.918885
"1312378"	459.990872	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Cl+HCOOH"	80.974872
"1328782"	481.972829	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Cl+NaCOOH"	102.956829
"917655"	492.001586	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M-H+CF3COOH"	112.985586
"1300922"	527.978264	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Cl+CF3COOH"	148.962264
"1370336"	344.003324	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H-2H2O"	-35.012676
"1387468"	362.0133	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H-H2O"	-17.0027
"291897"	759.039276	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+H"	1.007276
"680306"	1138.055276	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+H"	1.007276
"1355196"	380.023276	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H"	1.007276
"130271"	380.023276	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+2H"	2.014552
"568744"	569.531276	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+2H"	2.014552
"1040822"	190.515276	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2H"	2.014552
"210911"	253.684609333333	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+3H"	3.021828
"645373"	380.023276	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+3H"	3.021828
"1163381"	127.345942666667	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+3H"	3.021828
"425316"	776.065823	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+NH4"	18.033823
"787410"	1155.081823	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+NH4"	18.033823
"1683741"	397.049823	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+NH4"	18.033823
"336393"	388.5365495	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+H+NH4"	19.041099
"729908"	578.0445495	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+H+NH4"	19.041099
"1484826"	199.0285495	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H+NH4"	19.041099
"404598"	781.021218	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+Na"	22.989218
"757942"	1160.037218	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+Na"	22.989218
"1608226"	402.005218	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Na"	22.989218
"314327"	391.014247	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+H+Na"	23.996494
"707130"	580.522247	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+H+Na"	23.996494
"1461450"	201.506247	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H+Na"	23.996494
"1052881"	134.673256666667	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2H+Na"	25.00377
"1257084"	412.049486	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+CH3OH+H"	33.033486
"377150"	796.995158	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+K"	38.963158
"738530"	1176.011158	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+K"	38.963158
"1539950"	417.979158	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+K"	38.963158
"298692"	399.001217	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+H+K"	39.970434
"691399"	588.509217	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+H+K"	39.970434
"1445763"	209.493217	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H+K"	39.970434
"235854"	800.065826	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+ACN+H"	42.033826
"1213438"	421.049826	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+ACN+H"	42.033826
"1195862"	211.028551	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+ACN+2H"	43.041102
"192744"	803.00316	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+2Na-H"	44.97116
"629625"	1182.01916	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+2Na-H"	44.97116
"1131915"	423.98716	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2Na-H"	44.97116
"173298"	402.005218	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+2Na"	45.978436
"614041"	591.513218	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+2Na"	45.978436
"1117423"	212.497218	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2Na"	45.978436
"1398922"	142.000570666667	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H+2Na"	46.985712
"1434160"	426.028746	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H+HCOOH"	47.012746
"222761"	407.03824	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+3H2O+2H"	56.04448
"1510090"	440.08079	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+IsoProp+H"	61.06479
"409781"	409.992188	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+Na+K"	61.952376
"771507"	599.500188	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+Na+K"	61.952376
"1668202"	220.484188	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Na+K"	61.952376
"255820"	822.047768	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+ACN+Na"	64.015768
"1230349"	443.031768	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+ACN+Na"	64.015768
"1712916"	443.055293	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+NH4+HCOOH"	64.039293
"1179483"	149.327884666667	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+3Na"	68.967654
"1650841"	448.010688	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Na+HCOOH"	68.994688
"160620"	834.95104	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+2K-H"	76.91904
"604198"	1213.96704	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+2K-H"	76.91904
"1096365"	455.93504	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2K-H"	76.91904
"155871"	417.979158	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"2M+2K"	77.926316
"596033"	607.487158	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"3M+2K"	77.926316
"1083336"	228.471158	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2K"	77.926316
"1111568"	457.949592	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2K+H"	78.933592
"1350137"	458.037207	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+DMSO+H"	79.021207
"1019400"	462.076376	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2ACN+H"	83.060376
"1536795"	463.070008	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+IsoProp+Na+H"	84.054008
"999961"	231.541826	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+2ACN+2H"	84.067652
"1598839"	463.984628	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+K+HCOOH"	84.968628
"1425592"	494.016138	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+H+CF3COOH"	115.000138
"1162076"	252.055101	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+3ACN+2H"	125.094202
"1712237"	511.042685	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+NH4+CF3COOH"	132.026685
"1649753"	515.99808	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+Na+CF3COOH"	136.98208
"1582198"	531.97202	"C19054"	"Perfluidone"	"C14H12F3NO4S2"	"379.016"	"M+K+CF3COOH"	152.95602
"802723"	227.8757	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M"	0
"975886"	208.85731	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-H2O-H"	-19.01839
"64862"	150.909857333333	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M-3H"	-3.021828
"506242"	226.868424	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M-3H"	-3.021828
"880400"	74.9512906666667	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-3H"	-3.021828
"914"	226.868424	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M-2H"	-2.014552
"440840"	340.806274	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M-2H"	-2.014552
"818884"	112.930574	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-2H"	-2.014552
"81064"	454.744124	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M-H"	-1.007276
"521717"	682.619824	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M-H"	-1.007276
"898428"	226.868424	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-H"	-1.007276
"53895"	471.770671	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M-2H+NH4"	16.019271
"491632"	699.646371	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M-2H+NH4"	16.019271
"871256"	243.894971	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-2H+NH4"	16.019271
"36242"	476.726066	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M-2H+Na"	20.974666
"476530"	704.601766	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M-2H+Na"	20.974666
"851422"	248.850366	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-2H+Na"	20.974666
"1619856"	248.850366	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Na-2H"	20.974666
"98219"	244.856763	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M-H+Cl"	33.962126
"534695"	358.794613	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M-H+Cl"	33.962126
"927521"	130.918913	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-H+Cl"	33.962126
"267783"	490.720802	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+Cl"	34.969402
"660119"	718.596502	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+Cl"	34.969402
"1280151"	262.845102	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Cl"	34.969402
"26718"	492.700006	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M-2H+K"	36.948606
"471287"	720.575706	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M-2H+K"	36.948606
"847001"	264.824306	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-2H+K"	36.948606
"1568665"	264.824306	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+K-2H"	36.948606
"952536"	272.873894	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-H+HCOOH"	44.998194
"372937"	500.749601	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+HCOOH-H"	44.998201
"355727"	514.765251	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+Hac-H"	59.013851
"1502372"	286.889551	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Hac-H"	59.013851
"971007"	294.855851	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-H+NaCOOH"	66.980151
"124287"	262.845102	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+2Cl"	69.938804
"562754"	376.782952	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+2Cl"	69.938804
"1029367"	148.907252	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2Cl"	69.938804
"1248945"	306.794585	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Br"	78.918885
"1308113"	308.850572	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Cl+HCOOH"	80.974872
"1327794"	330.832529	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Cl+NaCOOH"	102.956829
"916667"	340.861286	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M-H+CF3COOH"	112.985586
"1297748"	376.837964	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Cl+CF3COOH"	148.962264
"1370447"	192.863024	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H-2H2O"	-35.012676
"1386849"	210.873	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H-H2O"	-17.0027
"286539"	456.758676	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+H"	1.007276
"678958"	684.634376	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+H"	1.007276
"1354577"	228.882976	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H"	1.007276
"131474"	228.882976	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+2H"	2.014552
"571041"	342.820826	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+2H"	2.014552
"1038625"	114.945126	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2H"	2.014552
"206767"	152.924409333333	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+3H"	3.021828
"646213"	228.882976	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+3H"	3.021828
"1164337"	76.9658426666667	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+3H"	3.021828
"426519"	473.785223	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+NH4"	18.033823
"786786"	701.660923	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+NH4"	18.033823
"1683851"	245.909523	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+NH4"	18.033823
"336503"	237.3962495	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+H+NH4"	19.041099
"730018"	351.3340995	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+H+NH4"	19.041099
"1481655"	123.4583995	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H+NH4"	19.041099
"404708"	478.740618	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+Na"	22.989218
"758048"	706.616318	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+Na"	22.989218
"1608336"	250.864918	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Na"	22.989218
"316185"	239.873947	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+H+Na"	23.996494
"707345"	353.811797	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+H+Na"	23.996494
"1462172"	125.936097	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H+Na"	23.996494
"1052867"	84.2931566666667	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2H+Na"	25.00377
"1258071"	260.909186	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+CH3OH+H"	33.033486
"377256"	494.714558	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+K"	38.963158
"739098"	722.590258	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+K"	38.963158
"1539928"	266.838858	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+K"	38.963158
"298971"	247.860917	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+H+K"	39.970434
"691757"	361.798767	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+H+K"	39.970434
"1446752"	133.923067	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H+K"	39.970434
"235732"	497.785226	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+ACN+H"	42.033826
"1213547"	269.909526	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+ACN+H"	42.033826
"1196338"	135.458401	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+ACN+2H"	43.041102
"191396"	500.72256	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+2Na-H"	44.97116
"629980"	728.59826	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+2Na-H"	44.97116
"1132066"	272.84686	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2Na-H"	44.97116
"174345"	250.864918	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+2Na"	45.978436
"615125"	364.802768	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+2Na"	45.978436
"1119724"	136.927068	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2Na"	45.978436
"1398991"	91.6204706666667	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H+2Na"	46.985712
"1434270"	274.888446	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H+HCOOH"	47.012746
"222872"	255.89794	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+3H2O+2H"	56.04448
"1511293"	288.94049	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+IsoProp+H"	61.06479
"410621"	258.851888	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+Na+K"	61.952376
"770116"	372.789738	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+Na+K"	61.952376
"1667220"	144.914038	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Na+K"	61.952376
"252650"	519.767168	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+ACN+Na"	64.015768
"1230460"	291.891468	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+ACN+Na"	64.015768
"1712945"	291.914993	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+NH4+HCOOH"	64.039293
"1179072"	98.9477846666667	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+3Na"	68.967654
"1652045"	296.870388	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Na+HCOOH"	68.994688
"160730"	532.67044	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+2K-H"	76.91904
"602121"	760.54614	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+2K-H"	76.91904
"1096475"	304.79474	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2K-H"	76.91904
"155364"	266.838858	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"2M+2K"	77.926316
"596141"	380.776708	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"3M+2K"	77.926316
"1080650"	152.901008	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2K"	77.926316
"1112773"	306.809292	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2K+H"	78.933592
"1349154"	306.896907	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+DMSO+H"	79.021207
"1018781"	310.936076	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2ACN+H"	83.060376
"1534718"	311.929708	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+IsoProp+Na+H"	84.054008
"998978"	155.971676	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+2ACN+2H"	84.067652
"1600043"	312.844328	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+K+HCOOH"	84.968628
"1425702"	342.875838	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+H+CF3COOH"	115.000138
"1162389"	176.484951	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+3ACN+2H"	125.094202
"1712650"	359.902385	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+NH4+CF3COOH"	132.026685
"1648481"	364.85778	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+Na+CF3COOH"	136.98208
"1582308"	380.83172	"C19055"	"Hexaflurate;Potassium hexafluoroarsenate"	"KAsF6"	"227.8757"	"M+K+CF3COOH"	152.95602
"809394"	204.9697	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M"	0
"979646"	185.95131	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-H2O-H"	-19.01839
"65701"	135.639190666667	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M-3H"	-3.021828
"504894"	203.962424	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M-3H"	-3.021828
"884159"	67.3159573333333	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-3H"	-3.021828
"2364"	203.962424	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M-2H"	-2.014552
"442291"	306.447274	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M-2H"	-2.014552
"822276"	101.477574	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-2H"	-2.014552
"85549"	408.932124	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M-H"	-1.007276
"526204"	613.901824	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M-H"	-1.007276
"906193"	203.962424	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-H"	-1.007276
"58380"	425.958671	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M-2H+NH4"	16.019271
"496847"	630.928371	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M-2H+NH4"	16.019271
"874649"	220.988971	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-2H+NH4"	16.019271
"39270"	430.914066	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M-2H+Na"	20.974666
"477009"	635.883766	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M-2H+Na"	20.974666
"852261"	225.944366	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-2H+Na"	20.974666
"1622155"	225.944366	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Na-2H"	20.974666
"104893"	221.950763	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M-H+Cl"	33.962126
"537891"	324.435613	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M-H+Cl"	33.962126
"928125"	119.465913	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-H+Cl"	33.962126
"269597"	444.908802	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+Cl"	34.969402
"662748"	649.878502	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+Cl"	34.969402
"1284637"	239.939102	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Cl"	34.969402
"30722"	446.888006	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M-2H+K"	36.948606
"470698"	651.857706	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M-2H+K"	36.948606
"846747"	241.918306	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-2H+K"	36.948606
"1570722"	241.918306	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+K-2H"	36.948606
"958118"	249.967894	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-H+HCOOH"	44.998194
"376333"	454.937601	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+HCOOH-H"	44.998201
"359487"	468.953251	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+Hac-H"	59.013851
"1507592"	263.983551	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Hac-H"	59.013851
"973670"	271.949851	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-H+NaCOOH"	66.980151
"124767"	239.939102	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+2Cl"	69.938804
"563963"	342.423952	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+2Cl"	69.938804
"1035676"	137.454252	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2Cl"	69.938804
"1255255"	283.888585	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Br"	78.918885
"1313694"	285.944572	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Cl+HCOOH"	80.974872
"1327909"	307.926529	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Cl+NaCOOH"	102.956829
"920061"	317.955286	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M-H+CF3COOH"	112.985586
"1295675"	353.931964	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Cl+CF3COOH"	148.962264
"1372013"	169.957024	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H-2H2O"	-35.012676
"1388055"	187.967	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H-H2O"	-17.0027
"293210"	410.946676	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+H"	1.007276
"680162"	615.916376	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+H"	1.007276
"1357604"	205.976976	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H"	1.007276
"131586"	205.976976	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+2H"	2.014552
"572245"	308.461826	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+2H"	2.014552
"1047974"	103.492126	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2H"	2.014552
"215146"	137.653742666667	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+3H"	3.021828
"650699"	205.976976	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+3H"	3.021828
"1166639"	69.3305093333333	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+3H"	3.021828
"428818"	427.973223	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+NH4"	18.033823
"786530"	632.942923	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+NH4"	18.033823
"1690522"	223.003523	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+NH4"	18.033823
"336613"	214.4902495	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+H+NH4"	19.041099
"733044"	316.9750995	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+H+NH4"	19.041099
"1485044"	112.0053995	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H+NH4"	19.041099
"404818"	432.928618	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+Na"	22.989218
"763625"	637.898318	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+Na"	22.989218
"1612820"	227.958918	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Na"	22.989218
"321762"	216.967947	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+H+Na"	23.996494
"708713"	319.452797	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+H+Na"	23.996494
"1462046"	114.483097	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H+Na"	23.996494
"1053469"	76.6578233333333	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2H+Na"	25.00377
"1258548"	238.003186	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+CH3OH+H"	33.033486
"378337"	448.902558	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+K"	38.963158
"739577"	653.872258	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+K"	38.963158
"1540661"	243.932858	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+K"	38.963158
"300633"	224.954917	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+H+K"	39.970434
"691633"	327.439767	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+H+K"	39.970434
"1445900"	122.470067	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H+K"	39.970434
"236205"	451.973226	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+ACN+H"	42.033826
"1215846"	247.003526	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+ACN+H"	42.033826
"1197541"	124.005401	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+ACN+2H"	43.041102
"192599"	454.91056	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+2Na-H"	44.97116
"631425"	659.88026	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+2Na-H"	44.97116
"1132746"	249.94086	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2Na-H"	44.97116
"175675"	227.958918	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+2Na"	45.978436
"616329"	330.443768	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+2Na"	45.978436
"1120928"	125.474068	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2Na"	45.978436
"1411014"	83.9851373333333	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H+2Na"	46.985712
"1437661"	251.982446	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H+HCOOH"	47.012746
"227357"	232.99194	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+3H2O+2H"	56.04448
"1512139"	266.03449	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+IsoProp+H"	61.06479
"410001"	235.945888	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+Na+K"	61.952376
"773917"	338.430738	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+Na+K"	61.952376
"1670246"	133.461038	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Na+K"	61.952376
"258958"	473.955168	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+ACN+Na"	64.015768
"1231665"	268.985468	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+ACN+Na"	64.015768
"1713870"	269.008993	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+NH4+HCOOH"	64.039293
"1180438"	91.3124513333333	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+3Na"	68.967654
"1651059"	273.964388	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Na+HCOOH"	68.994688
"159383"	486.85844	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+2K-H"	76.91904
"599308"	691.82814	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+2K-H"	76.91904
"1096585"	281.88874	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2K-H"	76.91904
"154868"	243.932858	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"2M+2K"	77.926316
"594062"	346.417708	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"3M+2K"	77.926316
"1081856"	141.448008	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2K"	77.926316
"1112153"	283.903292	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2K+H"	78.933592
"1347443"	283.990907	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+DMSO+H"	79.021207
"1017789"	288.030076	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2ACN+H"	83.060376
"1532641"	289.023708	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+IsoProp+Na+H"	84.054008
"993621"	144.518676	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+2ACN+2H"	84.067652
"1597965"	289.938328	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+K+HCOOH"	84.968628
"1427636"	319.969838	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+H+CF3COOH"	115.000138
"1160474"	165.031951	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+3ACN+2H"	125.094202
"1712497"	336.996385	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+NH4+CF3COOH"	132.026685
"1649730"	341.95178	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+Na+CF3COOH"	136.98208
"1582418"	357.92572	"C19056"	"Chloramben"	"C7H5Cl2NO2"	"204.9697"	"M+K+CF3COOH"	152.95602
"806224"	253.9304	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M"	0
"974282"	234.91201	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-H2O-H"	-19.01839
"63069"	168.279657333333	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M-3H"	-3.021828
"503544"	252.923124	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M-3H"	-3.021828
"881104"	83.6361906666667	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-3H"	-3.021828
"1016"	252.923124	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M-2H"	-2.014552
"441672"	379.888324	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M-2H"	-2.014552
"822386"	125.957924	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-2H"	-2.014552
"86753"	506.853524	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M-H"	-1.007276
"525221"	760.783924	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M-H"	-1.007276
"905210"	252.923124	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-H"	-1.007276
"59584"	523.880071	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M-2H+NH4"	16.019271
"496957"	777.810471	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M-2H+NH4"	16.019271
"878769"	269.949671	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-2H+NH4"	16.019271
"39380"	528.835466	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M-2H+Na"	20.974666
"478941"	782.765866	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M-2H+Na"	20.974666
"854559"	274.905066	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-2H+Na"	20.974666
"1621904"	274.905066	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Na-2H"	20.974666
"97348"	270.911463	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M-H+Cl"	33.962126
"535933"	397.876663	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M-H+Cl"	33.962126
"929327"	143.946263	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-H+Cl"	33.962126
"268490"	542.830202	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+Cl"	34.969402
"661882"	796.760602	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+Cl"	34.969402
"1284018"	288.899802	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Cl"	34.969402
"20740"	544.809406	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M-2H+K"	36.948606
"470758"	798.739806	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M-2H+K"	36.948606
"844303"	290.879006	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-2H+K"	36.948606
"1569615"	290.879006	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+K-2H"	36.948606
"955310"	298.928594	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-H+HCOOH"	44.998194
"374253"	552.859001	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+HCOOH-H"	44.998201
"359111"	566.874651	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+Hac-H"	59.013851
"1503690"	312.944251	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Hac-H"	59.013851
"973662"	320.910551	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-H+NaCOOH"	66.980151
"124151"	288.899802	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+2Cl"	69.938804
"564070"	415.865002	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+2Cl"	69.938804
"1033963"	161.934602	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2Cl"	69.938804
"1250262"	332.849285	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Br"	78.918885
"1312709"	334.905272	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Cl+HCOOH"	80.974872
"1328018"	356.887229	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Cl+NaCOOH"	102.956829
"920171"	366.915986	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M-H+CF3COOH"	112.985586
"1299066"	402.892664	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Cl+CF3COOH"	148.962264
"1372853"	218.917724	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H-2H2O"	-35.012676
"1388165"	236.9277	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H-H2O"	-17.0027
"292592"	508.868076	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+H"	1.007276
"680272"	762.798476	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+H"	1.007276
"1354435"	254.937676	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H"	1.007276
"129509"	254.937676	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+2H"	2.014552
"571262"	381.902876	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+2H"	2.014552
"1046623"	127.972476	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2H"	2.014552
"215256"	170.294209333333	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+3H"	3.021828
"647527"	254.937676	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+3H"	3.021828
"1163828"	85.6507426666667	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+3H"	3.021828
"427831"	525.894623	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+NH4"	18.033823
"786033"	779.825023	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+NH4"	18.033823
"1689539"	271.964223	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+NH4"	18.033823
"335630"	263.4509495	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+H+NH4"	19.041099
"733518"	390.4161495	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+H+NH4"	19.041099
"1485154"	136.4857495	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H+NH4"	19.041099
"402740"	530.850018	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+Na"	22.989218
"760455"	784.780418	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+Na"	22.989218
"1612930"	276.919618	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Na"	22.989218
"318592"	265.928647	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+H+Na"	23.996494
"708823"	392.893847	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+H+Na"	23.996494
"1464100"	138.963447	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H+Na"	23.996494
"1054188"	92.9780566666667	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2H+Na"	25.00377
"1259753"	286.963886	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+CH3OH+H"	33.033486
"379784"	546.823958	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+K"	38.963158
"739810"	800.754358	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+K"	38.963158
"1543568"	292.893558	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+K"	38.963158
"304024"	273.915617	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+H+K"	39.970434
"693893"	400.880817	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+H+K"	39.970434
"1448443"	146.950417	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H+K"	39.970434
"238868"	549.894626	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+ACN+H"	42.033826
"1218142"	295.964226	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+ACN+H"	42.033826
"1200933"	148.485751	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+ACN+2H"	43.041102
"194898"	552.83196	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+2Na-H"	44.97116
"632269"	806.76236	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+2Na-H"	44.97116
"1133589"	298.90156	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2Na-H"	44.97116
"176880"	276.919618	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+2Na"	45.978436
"618626"	403.884818	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+2Na"	45.978436
"1126506"	149.954418	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2Na"	45.978436
"1412217"	100.305370666667	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H+2Na"	46.985712
"1439958"	300.943146	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H+HCOOH"	47.012746
"230747"	281.95264	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+3H2O+2H"	56.04448
"1515529"	314.99519	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+IsoProp+H"	61.06479
"411936"	284.906588	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+Na+K"	61.952376
"774027"	411.871788	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+Na+K"	61.952376
"1671450"	157.941388	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Na+K"	61.952376
"259068"	571.876568	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+ACN+Na"	64.015768
"1233961"	317.946168	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+ACN+Na"	64.015768
"1716286"	317.969693	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+NH4+HCOOH"	64.039293
"1181278"	107.632684666667	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+3Na"	68.967654
"1654816"	322.925088	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Na+HCOOH"	68.994688
"159488"	584.77984	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+2K-H"	76.91904
"601240"	838.71024	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+2K-H"	76.91904
"1094509"	330.84944	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2K-H"	76.91904
"154613"	292.893558	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"2M+2K"	77.926316
"595264"	419.858758	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"3M+2K"	77.926316
"1082573"	165.928358	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2K"	77.926316
"1111893"	332.863992	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2K+H"	78.933592
"1347914"	332.951607	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+DMSO+H"	79.021207
"1016805"	336.990776	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2ACN+H"	83.060376
"1536758"	337.984408	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+IsoProp+Na+H"	84.054008
"1003208"	168.999026	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+2ACN+2H"	84.067652
"1599170"	338.899028	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+K+HCOOH"	84.968628
"1429204"	368.930538	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+H+CF3COOH"	115.000138
"1159491"	189.512301	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+3ACN+2H"	125.094202
"1712323"	385.957085	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+NH4+CF3COOH"	132.026685
"1649554"	390.91248	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+Na+CF3COOH"	136.98208
"1582528"	406.88642	"C19057"	"Tricamba"	"C8H5Cl3O3"	"253.9304"	"M+K+CF3COOH"	152.95602
"806333"	207.0466	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M"	0
"974761"	188.02821	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-H2O-H"	-19.01839
"64098"	137.023790666667	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M-3H"	-3.021828
"504748"	206.039324	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M-3H"	-3.021828
"882915"	68.0082573333333	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-3H"	-3.021828
"3313"	206.039324	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M-2H"	-2.014552
"444694"	309.562624	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M-2H"	-2.014552
"822496"	102.516024	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-2H"	-2.014552
"84676"	413.085924	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M-H"	-1.007276
"526425"	620.132524	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M-H"	-1.007276
"909693"	206.039324	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-H"	-1.007276
"58602"	430.112471	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M-2H+NH4"	16.019271
"498161"	637.159071	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M-2H+NH4"	16.019271
"874870"	223.065871	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-2H+NH4"	16.019271
"39490"	435.067866	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M-2H+Na"	20.974666
"477960"	642.114466	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M-2H+Na"	20.974666
"857949"	228.021266	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-2H+Na"	20.974666
"1622015"	228.021266	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Na-2H"	20.974666
"101832"	224.027663	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M-H+Cl"	33.962126
"535677"	327.550963	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M-H+Cl"	33.962126
"929803"	120.504363	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-H+Cl"	33.962126
"269210"	449.062602	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+Cl"	34.969402
"661872"	656.109202	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+Cl"	34.969402
"1279387"	242.016002	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Cl"	34.969402
"24131"	451.041806	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M-2H+K"	36.948606
"471312"	658.088406	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M-2H+K"	36.948606
"845873"	243.995206	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-2H+K"	36.948606
"1569358"	243.995206	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+K-2H"	36.948606
"955784"	252.044794	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-H+HCOOH"	44.998194
"376558"	459.091401	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+HCOOH-H"	44.998201
"359588"	473.107051	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+Hac-H"	59.013851
"1507084"	266.060451	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Hac-H"	59.013851
"971340"	274.026751	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-H+NaCOOH"	66.980151
"121341"	242.016002	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+2Cl"	69.938804
"562725"	345.539302	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+2Cl"	69.938804
"1034075"	138.492702	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2Cl"	69.938804
"1249278"	285.965485	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Br"	78.918885
"1311726"	288.021472	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Cl+HCOOH"	80.974872
"1328127"	310.003429	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Cl+NaCOOH"	102.956829
"920281"	320.032186	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M-H+CF3COOH"	112.985586
"1295896"	356.008864	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Cl+CF3COOH"	148.962264
"1374055"	172.033924	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H-2H2O"	-35.012676
"1387181"	190.0439	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H-H2O"	-17.0027
"287598"	415.100476	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+H"	1.007276
"678559"	622.147076	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+H"	1.007276
"1354909"	208.053876	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H"	1.007276
"130712"	208.053876	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+2H"	2.014552
"571372"	311.577176	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+2H"	2.014552
"1043453"	104.530576	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2H"	2.014552
"215731"	139.038342666667	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+3H"	3.021828
"647637"	208.053876	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+3H"	3.021828
"1165761"	70.0228093333333	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+3H"	3.021828
"431220"	432.127023	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+NH4"	18.033823
"791130"	639.173623	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+NH4"	18.033823
"1694023"	225.080423	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+NH4"	18.033823
"345462"	216.5671495	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+H+NH4"	19.041099
"737641"	320.0904495	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+H+NH4"	19.041099
"1488545"	113.0438495	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H+NH4"	19.041099
"401758"	437.082418	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+Na"	22.989218
"766032"	644.129018	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+Na"	22.989218
"1609760"	230.035818	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Na"	22.989218
"318703"	219.044847	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+H+Na"	23.996494
"710032"	322.568147	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+H+Na"	23.996494
"1463483"	115.521547	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H+Na"	23.996494
"1054180"	77.3501233333333	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2H+Na"	25.00377
"1259868"	240.080086	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+CH3OH+H"	33.033486
"380631"	453.056358	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+K"	38.963158
"743812"	660.102958	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+K"	38.963158
"1548052"	246.009758	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+K"	38.963158
"306321"	227.031817	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+H+K"	39.970434
"694370"	330.555117	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+H+K"	39.970434
"1445879"	123.508517	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H+K"	39.970434
"242258"	456.127026	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+ACN+H"	42.033826
"1219345"	249.080426	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+ACN+H"	42.033826
"1204324"	125.043851	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+ACN+2H"	43.041102
"196101"	459.06436	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+2Na-H"	44.97116
"633472"	666.11096	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+2Na-H"	44.97116
"1134790"	252.01776	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2Na-H"	44.97116
"183550"	230.035818	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+2Na"	45.978436
"618738"	333.559118	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+2Na"	45.978436
"1127710"	126.512518	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2Na"	45.978436
"1413056"	84.6774373333333	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H+2Na"	46.985712
"1440069"	254.059346	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H+HCOOH"	47.012746
"234138"	235.06884	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+3H2O+2H"	56.04448
"1515639"	268.11139	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+IsoProp+H"	61.06479
"414234"	238.022788	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+Na+K"	61.952376
"775594"	341.546088	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+Na+K"	61.952376
"1674840"	134.499488	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Na+K"	61.952376
"265012"	478.108968	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+ACN+Na"	64.015768
"1235165"	271.062368	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+ACN+Na"	64.015768
"1717493"	271.085893	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+NH4+HCOOH"	64.039293
"1185033"	92.0047513333333	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+3Na"	68.967654
"1654926"	276.041288	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Na+HCOOH"	68.994688
"160696"	491.01224	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+2K-H"	76.91904
"602445"	698.05884	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+2K-H"	76.91904
"1095712"	283.96564	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2K-H"	76.91904
"155451"	246.009758	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"2M+2K"	77.926316
"594281"	349.533058	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"3M+2K"	77.926316
"1076606"	142.486458	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2K"	77.926316
"1107629"	285.980192	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2K+H"	78.933592
"1344015"	286.067807	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+DMSO+H"	79.021207
"1014729"	290.106976	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2ACN+H"	83.060376
"1535046"	291.100608	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+IsoProp+Na+H"	84.054008
"1003318"	145.557126	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+2ACN+2H"	84.067652
"1599279"	292.015228	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+K+HCOOH"	84.968628
"1428219"	322.046738	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+H+CF3COOH"	115.000138
"1157413"	166.070401	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+3ACN+2H"	125.094202
"1710244"	339.073285	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+NH4+CF3COOH"	132.026685
"1648082"	344.02868	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+Na+CF3COOH"	136.98208
"1582638"	360.00262	"C19058"	"Benzthiazuron"	"C9H9N3OS"	"207.0466"	"M+K+CF3COOH"	152.95602
"804256"	257.001	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M"	0
"974268"	237.98261	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-H2O-H"	-19.01839
"62887"	170.326724	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M-3H"	-3.021828
"504493"	255.993724	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M-3H"	-3.021828
"880472"	84.659724	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-3H"	-3.021828
"3057"	255.993724	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M-2H"	-2.014552
"440551"	384.494224	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M-2H"	-2.014552
"818233"	127.493224	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-2H"	-2.014552
"80049"	512.994724	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M-H"	-1.007276
"522161"	769.995724	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M-H"	-1.007276
"903243"	255.993724	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-H"	-1.007276
"53245"	530.021271	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M-2H+NH4"	16.019271
"493897"	787.022271	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M-2H+NH4"	16.019271
"876073"	273.020271	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-2H+NH4"	16.019271
"38507"	534.976666	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M-2H+Na"	20.974666
"475882"	791.977666	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M-2H+Na"	20.974666
"856965"	277.975666	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-2H+Na"	20.974666
"1622128"	277.975666	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Na-2H"	20.974666
"99755"	273.982063	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M-H+Cl"	33.962126
"536760"	402.482563	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M-H+Cl"	33.962126
"930642"	145.481563	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-H+Cl"	33.962126
"268104"	548.971402	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+Cl"	34.969402
"660025"	805.972402	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+Cl"	34.969402
"1284603"	291.970402	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Cl"	34.969402
"23148"	550.950606	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M-2H+K"	36.948606
"470370"	807.951606	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M-2H+K"	36.948606
"848131"	293.949606	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-2H+K"	36.948606
"1569836"	293.949606	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+K-2H"	36.948606
"958171"	301.999194	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-H+HCOOH"	44.998194
"374112"	559.000201	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+HCOOH-H"	44.998201
"360792"	573.015851	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+Hac-H"	59.013851
"1508009"	316.014851	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Hac-H"	59.013851
"971820"	323.981151	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-H+NaCOOH"	66.980151
"121452"	291.970402	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+2Cl"	69.938804
"562105"	420.470902	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+2Cl"	69.938804
"1030905"	163.469902	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2Cl"	69.938804
"1251575"	335.919885	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Br"	78.918885
"1311835"	337.975872	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Cl+HCOOH"	80.974872
"1326050"	359.957829	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Cl+NaCOOH"	102.956829
"918205"	369.986586	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M-H+CF3COOH"	112.985586
"1298193"	405.963264	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Cl+CF3COOH"	148.962264
"1371250"	221.988324	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H-2H2O"	-35.012676
"1387291"	239.9983	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H-H2O"	-17.0027
"287708"	515.009276	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+H"	1.007276
"678669"	772.010276	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+H"	1.007276
"1355748"	258.008276	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H"	1.007276
"128636"	258.008276	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+2H"	2.014552
"571482"	386.508776	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+2H"	2.014552
"1042470"	129.507776	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2H"	2.014552
"215112"	172.341276	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+3H"	3.021828
"652122"	258.008276	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+3H"	3.021828
"1169153"	86.674276	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+3H"	3.021828
"430237"	532.035823	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+NH4"	18.033823
"796704"	789.036823	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+NH4"	18.033823
"1694133"	275.034823	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+NH4"	18.033823
"343506"	266.5215495	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+H+NH4"	19.041099
"735927"	395.0220495	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+H+NH4"	19.041099
"1485375"	138.0210495	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H+NH4"	19.041099
"401868"	536.991218	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+Na"	22.989218
"768329"	793.992218	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+Na"	22.989218
"1606953"	279.990218	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Na"	22.989218
"316625"	268.999247	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+H+Na"	23.996494
"710141"	397.499747	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+H+Na"	23.996494
"1465056"	140.498747	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H+Na"	23.996494
"1054656"	94.00159	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2H+Na"	25.00377
"1258885"	290.034486	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+CH3OH+H"	33.033486
"377822"	552.965158	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+K"	38.963158
"741737"	809.966158	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+K"	38.963158
"1542697"	295.964158	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+K"	38.963158
"305338"	276.986217	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+H+K"	39.970434
"693751"	405.486717	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+H+K"	39.970434
"1445690"	148.485717	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H+K"	39.970434
"239088"	556.035826	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+ACN+H"	42.033826
"1218361"	299.034826	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+ACN+H"	42.033826
"1197871"	150.021051	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+ACN+2H"	43.041102
"192931"	558.97316	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+2Na-H"	44.97116
"633582"	815.97416	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+2Na-H"	44.97116
"1134901"	301.97216	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2Na-H"	44.97116
"178193"	279.990218	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+2Na"	45.978436
"621034"	408.490718	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+2Na"	45.978436
"1123446"	151.489718	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2Na"	45.978436
"1411709"	101.328904	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H+2Na"	46.985712
"1439086"	304.013746	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H+HCOOH"	47.012746
"234250"	285.02324	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+3H2O+2H"	56.04448
"1516844"	318.06579	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+IsoProp+H"	61.06479
"414344"	287.977188	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+Na+K"	61.952376
"779714"	416.477688	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+Na+K"	61.952376
"1673858"	159.476688	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Na+K"	61.952376
"263299"	578.017768	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+ACN+Na"	64.015768
"1235276"	321.016768	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+ACN+Na"	64.015768
"1719057"	321.040293	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+NH4+HCOOH"	64.039293
"1182960"	108.656218	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+3Na"	68.967654
"1653943"	325.995688	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Na+HCOOH"	68.994688
"161166"	590.92104	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+2K-H"	76.91904
"601460"	847.92204	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+2K-H"	76.91904
"1090350"	333.92004	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2K-H"	76.91904
"156650"	295.964158	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"2M+2K"	77.926316
"592199"	424.464658	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"3M+2K"	77.926316
"1081087"	167.463658	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2K"	77.926316
"1113204"	335.934592	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2K+H"	78.933592
"1345214"	336.022207	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+DMSO+H"	79.021207
"1013745"	340.061376	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2ACN+H"	83.060376
"1536249"	341.055008	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+IsoProp+Na+H"	84.054008
"1003431"	170.534326	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+2ACN+2H"	84.067652
"1601579"	341.969628	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+K+HCOOH"	84.968628
"1429058"	372.001138	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+H+CF3COOH"	115.000138
"1156429"	191.047601	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+3ACN+2H"	125.094202
"1704886"	389.027685	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+NH4+CF3COOH"	132.026685
"1643817"	393.98308	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+Na+CF3COOH"	136.98208
"1582748"	409.95702	"C19059"	"Barban"	"C11H9Cl2NO2"	"257.001"	"M+K+CF3COOH"	152.95602
"803273"	223.04	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M"	0
"974336"	204.02161	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-H2O-H"	-19.01839
"63217"	147.686057333333	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M-3H"	-3.021828
"503141"	222.032724	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M-3H"	-3.021828
"880338"	73.3393906666667	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-3H"	-3.021828
"207"	222.032724	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M-2H"	-2.014552
"440020"	333.552724	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M-2H"	-2.014552
"817491"	110.512724	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-2H"	-2.014552
"79792"	445.072724	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M-H"	-1.007276
"520086"	668.112724	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M-H"	-1.007276
"902259"	222.032724	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-H"	-1.007276
"50076"	462.099271	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M-2H+NH4"	16.019271
"494009"	685.139271	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M-2H+NH4"	16.019271
"869623"	239.059271	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-2H+NH4"	16.019271
"38617"	467.054666	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M-2H+Na"	20.974666
"477085"	690.094666	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M-2H+Na"	20.974666
"855982"	244.014666	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-2H+Na"	20.974666
"1620413"	244.014666	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Na-2H"	20.974666
"99865"	240.021063	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M-H+Cl"	33.962126
"535778"	351.541063	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M-H+Cl"	33.962126
"927472"	128.501063	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-H+Cl"	33.962126
"268086"	481.049402	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+Cl"	34.969402
"660144"	704.089402	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+Cl"	34.969402
"1284348"	258.009402	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Cl"	34.969402
"26537"	483.028606	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M-2H+K"	36.948606
"471175"	706.068606	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M-2H+K"	36.948606
"848039"	259.988606	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-2H+K"	36.948606
"1569582"	259.988606	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+K-2H"	36.948606
"958403"	268.038194	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-H+HCOOH"	44.998194
"373857"	491.078201	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+HCOOH-H"	44.998201
"361241"	505.093851	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+Hac-H"	59.013851
"1506574"	282.053851	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Hac-H"	59.013851
"970834"	290.020151	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-H+NaCOOH"	66.980151
"123022"	258.009402	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+2Cl"	69.938804
"562215"	369.529402	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+2Cl"	69.938804
"1032107"	146.489402	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2Cl"	69.938804
"1249499"	301.958885	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Br"	78.918885
"1310851"	304.014872	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Cl+HCOOH"	80.974872
"1327984"	325.996829	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Cl+NaCOOH"	102.956829
"918316"	336.025586	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M-H+CF3COOH"	112.985586
"1297210"	372.002264	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Cl+CF3COOH"	148.962264
"1371359"	188.027324	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H-2H2O"	-35.012676
"1387399"	206.0373	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H-H2O"	-17.0027
"288179"	447.087276	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+H"	1.007276
"677320"	670.127276	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+H"	1.007276
"1356950"	224.047276	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H"	1.007276
"127653"	224.047276	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+2H"	2.014552
"571592"	335.567276	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+2H"	2.014552
"1041487"	112.527276	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2H"	2.014552
"213762"	149.700609333333	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+3H"	3.021828
"651139"	224.047276	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+3H"	3.021828
"1171450"	75.3539426666667	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+3H"	3.021828
"430347"	464.113823	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+NH4"	18.033823
"793534"	687.153823	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+NH4"	18.033823
"1694243"	241.073823	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+NH4"	18.033823
"344953"	232.5605495	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+H+NH4"	19.041099
"737130"	344.0805495	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+H+NH4"	19.041099
"1485485"	121.0405495	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H+NH4"	19.041099
"401978"	469.069218	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+Na"	22.989218
"760786"	692.109218	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+Na"	22.989218
"1616537"	246.029218	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Na"	22.989218
"321109"	235.038247	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+H+Na"	23.996494
"709885"	346.558247	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+H+Na"	23.996494
"1465165"	123.518247	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H+Na"	23.996494
"1056225"	82.6812566666667	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2H+Na"	25.00377
"1258266"	256.073486	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+CH3OH+H"	33.033486
"377244"	485.043158	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+K"	38.963158
"740752"	708.083158	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+K"	38.963158
"1542076"	262.003158	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+K"	38.963158
"303261"	243.025217	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+H+K"	39.970434
"692158"	354.545217	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+H+K"	39.970434
"1446585"	131.505217	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H+K"	39.970434
"238105"	488.113826	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+ACN+H"	42.033826
"1217378"	265.073826	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+ACN+H"	42.033826
"1196888"	133.040551	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+ACN+2H"	43.041102
"193041"	491.05116	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+2Na-H"	44.97116
"633694"	714.09116	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+2Na-H"	44.97116
"1133919"	268.01116	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2Na-H"	44.97116
"180492"	246.029218	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+2Na"	45.978436
"622967"	357.549218	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+2Na"	45.978436
"1122463"	134.509218	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2Na"	45.978436
"1409997"	90.0085706666667	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H+2Na"	46.985712
"1438102"	270.052746	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H+HCOOH"	47.012746
"231081"	251.06224	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+3H2O+2H"	56.04448
"1519141"	284.10479	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+IsoProp+H"	61.06479
"422838"	254.016188	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+Na+K"	61.952376
"777638"	365.536188	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+Na+K"	61.952376
"1677249"	142.496188	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Na+K"	61.952376
"261586"	510.095768	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+ACN+Na"	64.015768
"1235386"	287.055768	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+ACN+Na"	64.015768
"1716980"	287.079293	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+NH4+HCOOH"	64.039293
"1181977"	97.3358846666667	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+3Na"	68.967654
"1654052"	292.034688	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Na+HCOOH"	68.994688
"160182"	522.99904	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+2K-H"	76.91904
"599019"	746.03904	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+2K-H"	76.91904
"1090460"	299.95904	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2K-H"	76.91904
"155788"	262.003158	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"2M+2K"	77.926316
"593402"	373.523158	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"3M+2K"	77.926316
"1081197"	150.483158	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2K"	77.926316
"1114286"	301.973592	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2K+H"	78.933592
"1345324"	302.061207	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+DMSO+H"	79.021207
"1013855"	306.100376	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2ACN+H"	83.060376
"1536359"	307.094008	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+IsoProp+Na+H"	84.054008
"1003176"	153.553826	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+2ACN+2H"	84.067652
"1600595"	308.008628	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+K+HCOOH"	84.968628
"1429050"	338.040138	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+H+CF3COOH"	115.000138
"1156539"	174.067101	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+3ACN+2H"	125.094202
"1704996"	355.066685	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+NH4+CF3COOH"	132.026685
"1643927"	360.02208	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+Na+CF3COOH"	136.98208
"1582858"	375.99602	"C19060"	"Chlorbufam"	"C11H10ClNO2"	"223.04"	"M+K+CF3COOH"	152.95602
"806664"	342.158	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M"	0
"976915"	323.13961	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-H2O-H"	-19.01839
"63403"	227.098057333333	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M-3H"	-3.021828
"503494"	341.150724	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M-3H"	-3.021828
"880687"	113.045390666667	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-3H"	-3.021828
"313"	341.150724	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M-2H"	-2.014552
"440656"	512.229724	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M-2H"	-2.014552
"817361"	170.071724	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-2H"	-2.014552
"79297"	683.308724	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M-H"	-1.007276
"523477"	1025.466724	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M-H"	-1.007276
"897390"	341.150724	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-H"	-1.007276
"48362"	700.335271	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M-2H+NH4"	16.019271
"494120"	1042.493271	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M-2H+NH4"	16.019271
"867548"	358.177271	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-2H+NH4"	16.019271
"40914"	705.290666	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M-2H+Na"	20.974666
"479382"	1047.448666	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M-2H+Na"	20.974666
"857185"	363.132666	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-2H+Na"	20.974666
"1620162"	363.132666	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Na-2H"	20.974666
"99975"	359.139063	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M-H+Cl"	33.962126
"536254"	530.218063	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M-H+Cl"	33.962126
"930862"	188.060063	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-H+Cl"	33.962126
"267422"	719.285402	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+Cl"	34.969402
"660065"	1061.443402	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+Cl"	34.969402
"1285187"	377.127402	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Cl"	34.969402
"28106"	721.264606	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M-2H+K"	36.948606
"470594"	1063.422606	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M-2H+K"	36.948606
"848029"	379.106606	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-2H+K"	36.948606
"1570059"	379.106606	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+K-2H"	36.948606
"957941"	387.156194	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-H+HCOOH"	44.998194
"373968"	729.314201	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+HCOOH-H"	44.998201
"360768"	743.329851	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+Hac-H"	59.013851
"1504859"	401.171851	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Hac-H"	59.013851
"973132"	409.138151	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-H+NaCOOH"	66.980151
"124593"	377.127402	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+2Cl"	69.938804
"563058"	548.206402	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+2Cl"	69.938804
"1028939"	206.048402	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2Cl"	69.938804
"1247424"	421.076885	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Br"	78.918885
"1310962"	423.132872	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Cl+HCOOH"	80.974872
"1328459"	445.114829	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Cl+NaCOOH"	102.956829
"916239"	455.143586	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M-H+CF3COOH"	112.985586
"1294040"	491.120264	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Cl+CF3COOH"	148.962264
"1371105"	307.145324	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H-2H2O"	-35.012676
"1387509"	325.1553	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H-H2O"	-17.0027
"288289"	685.323276	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+H"	1.007276
"678888"	1027.481276	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+H"	1.007276
"1355967"	343.165276	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H"	1.007276
"131045"	343.165276	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+2H"	2.014552
"570609"	514.244276	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+2H"	2.014552
"1042690"	172.086276	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2H"	2.014552
"210590"	229.112609333333	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+3H"	3.021828
"653436"	343.165276	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+3H"	3.021828
"1172653"	115.059942666667	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+3H"	3.021828
"431551"	702.349823	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+NH4"	18.033823
"797653"	1044.507823	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+NH4"	18.033823
"1694722"	360.191823	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+NH4"	18.033823
"342635"	351.6785495	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+H+NH4"	19.041099
"736998"	522.7575495	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+H+NH4"	19.041099
"1484502"	180.5995495	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H+NH4"	19.041099
"398808"	707.305218	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+Na"	22.989218
"764178"	1049.463218	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+Na"	22.989218
"1612277"	365.147218	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Na"	22.989218
"321219"	354.156247	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+H+Na"	23.996494
"708902"	525.235247	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+H+Na"	23.996494
"1464911"	183.077247	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H+Na"	23.996494
"1055243"	122.387256666667	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2H+Na"	25.00377
"1257405"	375.191486	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+CH3OH+H"	33.033486
"377313"	723.279158	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+K"	38.963158
"740497"	1065.437158	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+K"	38.963158
"1541215"	381.121158	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+K"	38.963158
"302278"	362.143217	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+H+K"	39.970434
"694700"	533.222217	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+H+K"	39.970434
"1449614"	191.064217	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H+K"	39.970434
"240405"	726.349826	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+ACN+H"	42.033826
"1215301"	384.191826	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+ACN+H"	42.033826
"1200278"	192.599551	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+ACN+2H"	43.041102
"197526"	729.28716	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+2Na-H"	44.97116
"633805"	1071.44516	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+2Na-H"	44.97116
"1139497"	387.12916	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2Na-H"	44.97116
"183155"	365.147218	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+2Na"	45.978436
"623807"	536.226218	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+2Na"	45.978436
"1128407"	194.068218	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2Na"	45.978436
"1411201"	129.714570666667	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H+2Na"	46.985712
"1438213"	389.170746	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H+HCOOH"	47.012746
"231921"	370.18024	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+3H2O+2H"	56.04448
"1519251"	403.22279	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+IsoProp+H"	61.06479
"419670"	373.134188	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+Na+K"	61.952376
"779571"	544.213188	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+Na+K"	61.952376
"1675903"	202.055188	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Na+K"	61.952376
"263155"	748.331768	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+ACN+Na"	64.015768
"1236956"	406.173768	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+ACN+Na"	64.015768
"1715634"	406.197293	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+NH4+HCOOH"	64.039293
"1183180"	137.041884666667	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+3Na"	68.967654
"1654527"	411.152688	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Na+HCOOH"	68.994688
"161386"	761.23504	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+2K-H"	76.91904
"600587"	1103.39304	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+2K-H"	76.91904
"1091663"	419.07704	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2K-H"	76.91904
"148480"	381.121158	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"2M+2K"	77.926316
"588041"	552.200158	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"3M+2K"	77.926316
"1075838"	210.042158	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2K"	77.926316
"1112327"	421.091592	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2K+H"	78.933592
"1343247"	421.179207	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+DMSO+H"	79.021207
"1013965"	425.218376	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2ACN+H"	83.060376
"1536104"	426.212008	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+IsoProp+Na+H"	84.054008
"1001823"	213.112826	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+2ACN+2H"	84.067652
"1602650"	427.126628	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+K+HCOOH"	84.968628
"1429282"	457.158138	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+H+CF3COOH"	115.000138
"1162741"	233.626101	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+3ACN+2H"	125.094202
"1710574"	474.184685	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+NH4+CF3COOH"	132.026685
"1644037"	479.14008	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+Na+CF3COOH"	136.98208
"1582968"	495.11402	"C19061"	"Phenisopham"	"C19H22N2O4"	"342.158"	"M+K+CF3COOH"	152.95602
"806774"	218.9854	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M"	0
"974669"	199.96701	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-H2O-H"	-19.01839
"63559"	144.982990666667	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M-3H"	-3.021828
"505916"	217.978124	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M-3H"	-3.021828
"881532"	71.9878573333333	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-3H"	-3.021828
"832"	217.978124	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M-2H"	-2.014552
"440764"	327.470824	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M-2H"	-2.014552
"818322"	108.485424	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-2H"	-2.014552
"80743"	436.963524	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M-H"	-1.007276
"523586"	655.948924	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M-H"	-1.007276
"898106"	217.978124	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-H"	-1.007276
"49563"	453.990071	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M-2H+NH4"	16.019271
"489490"	672.975471	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M-2H+NH4"	16.019271
"868751"	235.004671	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-2H+NH4"	16.019271
"39932"	458.945466	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M-2H+Na"	20.974666
"480585"	677.930866	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M-2H+Na"	20.974666
"857295"	239.960066	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-2H+Na"	20.974666
"1621364"	239.960066	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Na-2H"	20.974666
"94615"	235.966463	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M-H+Cl"	33.962126
"535390"	345.459163	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M-H+Cl"	33.962126
"928906"	126.473763	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-H+Cl"	33.962126
"267699"	472.940202	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+Cl"	34.969402
"660483"	691.925602	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+Cl"	34.969402
"1286026"	253.954802	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Cl"	34.969402
"29310"	474.919406	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M-2H+K"	36.948606
"470707"	693.904806	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M-2H+K"	36.948606
"847415"	255.934006	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-2H+K"	36.948606
"1569931"	255.934006	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+K-2H"	36.948606
"956717"	263.983594	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-H+HCOOH"	44.998194
"374078"	482.969001	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+HCOOH-H"	44.998201
"359421"	496.984651	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+Hac-H"	59.013851
"1505697"	277.999251	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Hac-H"	59.013851
"971785"	285.965551	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-H+NaCOOH"	66.980151
"124462"	253.954802	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+2Cl"	69.938804
"563168"	363.447502	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+2Cl"	69.938804
"1031965"	144.462102	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2Cl"	69.938804
"1247533"	297.904285	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Br"	78.918885
"1312165"	299.960272	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Cl+HCOOH"	80.974872
"1328568"	321.942229	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Cl+NaCOOH"	102.956829
"919629"	331.970986	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M-H+CF3COOH"	112.985586
"1294151"	367.947664	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Cl+CF3COOH"	148.962264
"1369029"	183.972724	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H-2H2O"	-35.012676
"1385797"	201.9827	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H-H2O"	-17.0027
"285483"	438.978076	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+H"	1.007276
"679727"	657.963476	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+H"	1.007276
"1357170"	219.992676	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H"	1.007276
"129331"	219.992676	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+2H"	2.014552
"569625"	329.485376	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+2H"	2.014552
"1043893"	110.499976	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2H"	2.014552
"204864"	146.997542666667	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+3H"	3.021828
"646980"	219.992676	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+3H"	3.021828
"1172399"	74.0024093333333	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+3H"	3.021828
"426193"	456.004623	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+NH4"	18.033823
"790472"	674.990023	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+NH4"	18.033823
"1685710"	237.019223	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+NH4"	18.033823
"343833"	228.5059495	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+H+NH4"	19.041099
"737918"	337.9986495	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+H+NH4"	19.041099
"1484613"	119.0132495	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H+NH4"	19.041099
"402198"	460.960018	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+Na"	22.989218
"761007"	679.945418	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+Na"	22.989218
"1617610"	241.974618	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Na"	22.989218
"321329"	230.983647	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+H+Na"	23.996494
"712659"	340.476347	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+H+Na"	23.996494
"1466480"	121.490947	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H+Na"	23.996494
"1057536"	81.3297233333333	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2H+Na"	25.00377
"1259584"	252.018886	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+CH3OH+H"	33.033486
"379614"	476.933958	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+K"	38.963158
"743160"	695.919358	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+K"	38.963158
"1543027"	257.948558	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+K"	38.963158
"301295"	238.970617	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+H+K"	39.970434
"698090"	348.463317	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+H+K"	39.970434
"1449724"	129.477917	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H+K"	39.970434
"241608"	480.004626	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+ACN+H"	42.033826
"1217597"	261.019226	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+ACN+H"	42.033826
"1199293"	131.013251	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+ACN+2H"	43.041102
"196541"	482.94196	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+2Na-H"	44.97116
"633914"	701.92736	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+2Na-H"	44.97116
"1136327"	263.95656	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2Na-H"	44.97116
"181804"	241.974618	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+2Na"	45.978436
"619177"	351.467318	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+2Na"	45.978436
"1124869"	132.481918	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2Na"	45.978436
"1406205"	88.6570373333333	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H+2Na"	46.985712
"1439415"	265.998146	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H+HCOOH"	47.012746
"228017"	247.00764	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+3H2O+2H"	56.04448
"1514986"	280.05019	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+IsoProp+H"	61.06479
"417591"	249.961588	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+Na+K"	61.952376
"776764"	359.454288	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+Na+K"	61.952376
"1678565"	140.468888	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Na+K"	61.952376
"262172"	501.986568	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+ACN+Na"	64.015768
"1235244"	283.001168	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+ACN+Na"	64.015768
"1721941"	283.024693	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+NH4+HCOOH"	64.039293
"1186567"	95.9843513333333	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+3Na"	68.967654
"1655366"	287.980088	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Na+HCOOH"	68.994688
"159678"	514.88984	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+2K-H"	76.91904
"601061"	733.87524	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+2K-H"	76.91904
"1092866"	295.90444	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2K-H"	76.91904
"147497"	257.948558	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"2M+2K"	77.926316
"588151"	367.441258	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"3M+2K"	77.926316
"1075948"	148.455858	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2K"	77.926316
"1111344"	297.918992	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2K+H"	78.933592
"1343357"	298.006607	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+DMSO+H"	79.021207
"1012982"	302.045776	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2ACN+H"	83.060376
"1535119"	303.039408	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+IsoProp+Na+H"	84.054008
"1000841"	151.526526	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+2ACN+2H"	84.067652
"1601429"	303.954028	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+K+HCOOH"	84.968628
"1428300"	333.985538	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+H+CF3COOH"	115.000138
"1162706"	172.039801	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+3ACN+2H"	125.094202
"1712346"	351.012085	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+NH4+CF3COOH"	132.026685
"1648522"	355.96748	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+Na+CF3COOH"	136.98208
"1583078"	371.94142	"C19062"	"SWEP"	"C8H7Cl2NO2"	"218.9854"	"M+K+CF3COOH"	152.95602
"806883"	309.1689	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M"	0
"974295"	290.15051	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-H2O-H"	-19.01839
"62873"	205.105324	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M-3H"	-3.021828
"503718"	308.161624	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M-3H"	-3.021828
"880076"	102.049024	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-3H"	-3.021828
"459"	308.161624	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M-2H"	-2.014552
"440183"	462.746074	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M-2H"	-2.014552
"817943"	153.577174	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-2H"	-2.014552
"80853"	617.330524	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M-H"	-1.007276
"521509"	926.499424	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M-H"	-1.007276
"898215"	308.161624	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-H"	-1.007276
"48581"	634.357071	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M-2H+NH4"	16.019271
"489237"	943.525971	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M-2H+NH4"	16.019271
"867768"	325.188171	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-2H+NH4"	16.019271
"40042"	639.312466	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M-2H+Na"	20.974666
"479602"	948.481366	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M-2H+Na"	20.974666
"857405"	330.143566	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-2H+Na"	20.974666
"1620381"	330.143566	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Na-2H"	20.974666
"94520"	326.149963	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M-H+Cl"	33.962126
"535376"	480.734413	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M-H+Cl"	33.962126
"927916"	171.565513	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-H+Cl"	33.962126
"267360"	653.307202	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+Cl"	34.969402
"660511"	962.476102	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+Cl"	34.969402
"1287228"	344.138302	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Cl"	34.969402
"30512"	655.286406	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M-2H+K"	36.948606
"470452"	964.455306	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M-2H+K"	36.948606
"848006"	346.117506	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-2H+K"	36.948606
"1570524"	346.117506	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+K-2H"	36.948606
"957068"	354.167094	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-H+HCOOH"	44.998194
"374916"	663.336001	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+HCOOH-H"	44.998201
"359166"	677.351651	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+Hac-H"	59.013851
"1505807"	368.182751	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Hac-H"	59.013851
"970798"	376.149051	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-H+NaCOOH"	66.980151
"123351"	344.138302	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+2Cl"	69.938804
"563642"	498.722752	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+2Cl"	69.938804
"1032438"	189.553852	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2Cl"	69.938804
"1248736"	388.087785	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Br"	78.918885
"1312275"	390.143772	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Cl+HCOOH"	80.974872
"1329771"	412.125729	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Cl+NaCOOH"	102.956829
"918646"	422.154486	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M-H+CF3COOH"	112.985586
"1296448"	458.131164	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Cl+CF3COOH"	148.962264
"1370233"	274.156224	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H-2H2O"	-35.012676
"1385907"	292.1662	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H-H2O"	-17.0027
"288510"	619.345076	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+H"	1.007276
"679837"	928.513976	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+H"	1.007276
"1356187"	310.176176	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H"	1.007276
"130171"	310.176176	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+2H"	2.014552
"566818"	464.760626	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+2H"	2.014552
"1044004"	155.591726	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2H"	2.014552
"204855"	207.119876	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+3H"	3.021828
"647091"	310.176176	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+3H"	3.021828
"1170687"	104.063576	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+3H"	3.021828
"428490"	636.371623	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+NH4"	18.033823
"790582"	945.540523	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+NH4"	18.033823
"1689100"	327.202723	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+NH4"	18.033823
"342486"	318.6894495	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+H+NH4"	19.041099
"736732"	473.2738995	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+H+NH4"	19.041099
"1480347"	164.1049995	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H+NH4"	19.041099
"399392"	641.327018	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+Na"	22.989218
"761117"	950.495918	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+Na"	22.989218
"1612495"	332.158118	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Na"	22.989218
"321439"	321.167147	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+H+Na"	23.996494
"710945"	475.751597	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+H+Na"	23.996494
"1464768"	166.582697	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H+Na"	23.996494
"1056555"	111.39089	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2H+Na"	25.00377
"1258957"	342.202386	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+CH3OH+H"	33.033486
"378264"	657.300958	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+K"	38.963158
"739260"	966.469858	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+K"	38.963158
"1542406"	348.132058	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+K"	38.963158
"302499"	329.154117	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+H+K"	39.970434
"698200"	483.738567	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+H+K"	39.970434
"1447648"	174.569667	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H+K"	39.970434
"241718"	660.371626	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+ACN+H"	42.033826
"1213334"	351.202726	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+ACN+H"	42.033826
"1196123"	176.105001	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+ACN+2H"	43.041102
"191183"	663.30896	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+2Na-H"	44.97116
"634024"	972.47786	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+2Na-H"	44.97116
"1134249"	354.14006	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2Na-H"	44.97116
"181914"	332.158118	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+2Na"	45.978436
"617099"	486.742568	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+2Na"	45.978436
"1123886"	177.573668	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2Na"	45.978436
"1405222"	118.718204	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H+2Na"	46.985712
"1437337"	356.181646	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H+HCOOH"	47.012746
"224847"	337.19114	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+3H2O+2H"	56.04448
"1515096"	370.23369	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+IsoProp+H"	61.06479
"420617"	340.145088	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+Na+K"	61.952376
"775781"	494.729538	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+Na+K"	61.952376
"1673206"	185.560638	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Na+K"	61.952376
"260458"	682.353568	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+ACN+Na"	64.015768
"1234989"	373.184668	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+ACN+Na"	64.015768
"1722414"	373.208193	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+NH4+HCOOH"	64.039293
"1185584"	126.045518	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+3Na"	68.967654
"1653655"	378.163588	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Na+HCOOH"	68.994688
"159423"	695.25684	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+2K-H"	76.91904
"600807"	1004.42574	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+2K-H"	76.91904
"1089697"	386.08794	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2K-H"	76.91904
"148700"	348.132058	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"2M+2K"	77.926316
"588261"	502.716508	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"3M+2K"	77.926316
"1074964"	193.547608	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2K"	77.926316
"1110361"	388.102492	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2K+H"	78.933592
"1345654"	388.190107	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+DMSO+H"	79.021207
"1015279"	392.229276	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2ACN+H"	83.060376
"1536687"	393.222908	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+IsoProp+Na+H"	84.054008
"1002043"	196.618276	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+2ACN+2H"	84.067652
"1602146"	394.137528	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+K+HCOOH"	84.968628
"1428410"	424.169038	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+H+CF3COOH"	115.000138
"1162220"	217.131551	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+3ACN+2H"	125.094202
"1712133"	441.195585	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+NH4+CF3COOH"	132.026685
"1646445"	446.15098	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+Na+CF3COOH"	136.98208
"1583188"	462.12492	"C19063"	"Isopropalin"	"C15H23N3O4"	"309.1689"	"M+K+CF3COOH"	152.95602
"803713"	345.0995	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M"	0
"974310"	326.08111	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-H2O-H"	-19.01839
"63006"	229.059057333333	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M-3H"	-3.021828
"502888"	344.092224	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M-3H"	-3.021828
"880660"	114.025890666667	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-3H"	-3.021828
"1056"	344.092224	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M-2H"	-2.014552
"440145"	516.641974	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M-2H"	-2.014552
"818175"	171.542474	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-2H"	-2.014552
"82057"	689.191724	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M-H"	-1.007276
"522711"	1034.291224	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M-H"	-1.007276
"897961"	344.092224	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-H"	-1.007276
"47963"	706.218271	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M-2H+NH4"	16.019271
"488617"	1051.317771	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M-2H+NH4"	16.019271
"868971"	361.118771	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-2H+NH4"	16.019271
"39058"	711.173666	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M-2H+Na"	20.974666
"481899"	1056.273166	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M-2H+Na"	20.974666
"858608"	366.074166	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-2H+Na"	20.974666
"1620490"	366.074166	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Na-2H"	20.974666
"94282"	362.080563	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M-H+Cl"	33.962126
"534389"	534.630313	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M-H+Cl"	33.962126
"927212"	189.530813	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-H+Cl"	33.962126
"267349"	725.168402	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+Cl"	34.969402
"660582"	1070.267902	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+Cl"	34.969402
"1284422"	380.068902	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Cl"	34.969402
"28799"	727.147606	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M-2H+K"	36.948606
"471330"	1072.247106	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M-2H+K"	36.948606
"846900"	382.048106	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-2H+K"	36.948606
"1570390"	382.048106	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+K-2H"	36.948606
"956812"	390.097694	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-H+HCOOH"	44.998194
"373932"	735.197201	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+HCOOH-H"	44.998201
"358911"	749.212851	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+Hac-H"	59.013851
"1504824"	404.113351	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Hac-H"	59.013851
"967627"	412.079651	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-H+NaCOOH"	66.980151
"122369"	380.068902	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+2Cl"	69.938804
"561564"	552.618652	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+2Cl"	69.938804
"1030361"	207.519152	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2Cl"	69.938804
"1249939"	424.018385	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Br"	78.918885
"1311293"	426.074372	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Cl+HCOOH"	80.974872
"1330975"	448.056329	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Cl+NaCOOH"	102.956829
"917663"	458.085086	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M-H+CF3COOH"	112.985586
"1296558"	494.061764	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Cl+CF3COOH"	148.962264
"1371437"	310.086824	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H-2H2O"	-35.012676
"1385654"	328.0968	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H-H2O"	-17.0027
"287527"	691.206276	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+H"	1.007276
"677032"	1036.305776	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+H"	1.007276
"1355568"	346.106776	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H"	1.007276
"132469"	346.106776	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+2H"	2.014552
"566686"	518.656526	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+2H"	2.014552
"1044114"	173.557026	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2H"	2.014552
"206546"	231.073609333333	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+3H"	3.021828
"644458"	346.106776	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+3H"	3.021828
"1167517"	116.040442666667	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+3H"	3.021828
"424424"	708.232823	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+NH4"	18.033823
"789599"	1053.332323	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+NH4"	18.033823
"1689210"	363.133323	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+NH4"	18.033823
"339682"	354.6200495	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+H+NH4"	19.041099
"735384"	527.1697995	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+H+NH4"	19.041099
"1484833"	182.0702995	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H+NH4"	19.041099
"398773"	713.188218	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+Na"	22.989218
"764508"	1058.287718	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+Na"	22.989218
"1611512"	368.088718	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Na"	22.989218
"323736"	357.097747	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+H+Na"	23.996494
"712879"	529.647497	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+H+Na"	23.996494
"1465242"	184.547997	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H+Na"	23.996494
"1061039"	123.367756666667	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2H+Na"	25.00377
"1258342"	378.132986	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+CH3OH+H"	33.033486
"379470"	729.162158	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+K"	38.963158
"742286"	1074.261658	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+K"	38.963158
"1544340"	384.062658	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+K"	38.963158
"303703"	365.084717	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+H+K"	39.970434
"696122"	537.634467	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+H+K"	39.970434
"1451036"	192.534967	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H+K"	39.970434
"237446"	732.232826	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+ACN+H"	42.033826
"1210648"	387.133326	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+ACN+H"	42.033826
"1195137"	194.070301	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+ACN+2H"	43.041102
"190317"	735.17016	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+2Na-H"	44.97116
"629392"	1080.26966	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+2Na-H"	44.97116
"1131685"	390.07066	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2Na-H"	44.97116
"179837"	368.088718	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+2Na"	45.978436
"617209"	540.638468	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+2Na"	45.978436
"1119622"	195.538968	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2Na"	45.978436
"1403145"	130.695070666667	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H+2Na"	46.985712
"1436353"	392.112246	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H+HCOOH"	47.012746
"223862"	373.12174	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+3H2O+2H"	56.04448
"1513019"	406.16429	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+IsoProp+H"	61.06479
"409908"	376.075688	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+Na+K"	61.952376
"773701"	548.625438	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+Na+K"	61.952376
"1666024"	203.525938	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Na+K"	61.952376
"254003"	754.214768	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+ACN+Na"	64.015768
"1233640"	409.115268	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+ACN+Na"	64.015768
"1719243"	409.138793	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+NH4+HCOOH"	64.039293
"1181684"	138.022384666667	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+3Na"	68.967654
"1651579"	414.094188	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Na+HCOOH"	68.994688
"158438"	767.11804	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+2K-H"	76.91904
"599094"	1112.21754	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+2K-H"	76.91904
"1088714"	422.01854	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2K-H"	76.91904
"147717"	384.062658	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"2M+2K"	77.926316
"588371"	556.612408	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"3M+2K"	77.926316
"1075074"	211.512908	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2K"	77.926316
"1109378"	424.033092	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2K+H"	78.933592
"1349044"	424.120707	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+DMSO+H"	79.021207
"1017576"	428.159876	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2ACN+H"	83.060376
"1537526"	429.153508	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+IsoProp+Na+H"	84.054008
"1002153"	214.583576	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+2ACN+2H"	84.067652
"1602135"	430.068128	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+K+HCOOH"	84.968628
"1429249"	460.099638	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+H+CF3COOH"	115.000138
"1162329"	235.096851	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+3ACN+2H"	125.094202
"1711756"	477.126185	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+NH4+CF3COOH"	132.026685
"1649350"	482.08158	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+Na+CF3COOH"	136.98208
"1583298"	498.05552	"C19064"	"Nitralin"	"C13H19N3O6S"	"345.0995"	"M+K+CF3COOH"	152.95602
"808196"	347.1093	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M"	0
"977355"	328.09091	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-H2O-H"	-19.01839
"63773"	230.398924	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M-3H"	-3.021828
"505154"	346.102024	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M-3H"	-3.021828
"880764"	114.695824	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-3H"	-3.021828
"1530"	346.102024	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M-2H"	-2.014552
"443278"	519.656674	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M-2H"	-2.014552
"818892"	172.547374	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-2H"	-2.014552
"81070"	693.211324	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M-H"	-1.007276
"522821"	1040.320624	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M-H"	-1.007276
"901715"	346.102024	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-H"	-1.007276
"53903"	710.237871	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M-2H+NH4"	16.019271
"496743"	1057.347171	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M-2H+NH4"	16.019271
"871267"	363.128571	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-2H+NH4"	16.019271
"37707"	715.193266	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M-2H+Na"	20.974666
"474354"	1062.302566	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M-2H+Na"	20.974666
"856531"	368.083966	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-2H+Na"	20.974666
"1621691"	368.083966	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Na-2H"	20.974666
"94493"	364.090363	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M-H+Cl"	33.962126
"534861"	537.645013	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M-H+Cl"	33.962126
"927161"	190.535713	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-H+Cl"	33.962126
"267297"	729.188002	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+Cl"	34.969402
"660448"	1076.297302	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+Cl"	34.969402
"1285261"	382.078702	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Cl"	34.969402
"26359"	731.167206	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M-2H+K"	36.948606
"471305"	1078.276506	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M-2H+K"	36.948606
"845915"	384.057906	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-2H+K"	36.948606
"1567944"	384.057906	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+K-2H"	36.948606
"953638"	392.107494	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-H+HCOOH"	44.998194
"375134"	739.216801	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+HCOOH-H"	44.998201
"360113"	753.232451	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+Hac-H"	59.013851
"1505664"	406.123151	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Hac-H"	59.013851
"970651"	414.089451	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-H+NaCOOH"	66.980151
"123204"	382.078702	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+2Cl"	69.938804
"562769"	555.633352	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+2Cl"	69.938804
"1033388"	208.524052	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2Cl"	69.938804
"1251873"	426.028185	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Br"	78.918885
"1314684"	428.084172	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Cl+HCOOH"	80.974872
"1329992"	450.066129	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Cl+NaCOOH"	102.956829
"921053"	460.094886	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M-H+CF3COOH"	112.985586
"1296668"	496.071564	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Cl+CF3COOH"	148.962264
"1373733"	312.096624	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H-2H2O"	-35.012676
"1389045"	330.1066	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H-H2O"	-17.0027
"286543"	695.225876	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+H"	1.007276
"678965"	1042.335176	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+H"	1.007276
"1357501"	348.116576	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H"	1.007276
"129298"	348.116576	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+2H"	2.014552
"567764"	521.671226	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+2H"	2.014552
"1044224"	174.561926	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2H"	2.014552
"206656"	232.413476	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+3H"	3.021828
"646218"	348.116576	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+3H"	3.021828
"1167627"	116.710376	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+3H"	3.021828
"424495"	712.252423	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+NH4"	18.033823
"786101"	1059.361723	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+NH4"	18.033823
"1689320"	365.143123	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+NH4"	18.033823
"339792"	356.6298495	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+H+NH4"	19.041099
"735494"	530.1844995	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+H+NH4"	19.041099
"1484943"	183.0751995	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H+NH4"	19.041099
"398883"	717.207818	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+Na"	22.989218
"759514"	1064.317118	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+Na"	22.989218
"1609435"	370.098518	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Na"	22.989218
"326032"	359.107547	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+H+Na"	23.996494
"709709"	532.662197	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+H+Na"	23.996494
"1464622"	185.552897	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H+Na"	23.996494
"1062241"	124.03769	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2H+Na"	25.00377
"1263919"	380.142786	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+CH3OH+H"	33.033486
"385776"	733.181758	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+K"	38.963158
"744582"	1080.291058	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+K"	38.963158
"1542261"	386.072458	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+K"	38.963158
"300531"	367.094517	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+H+K"	39.970434
"691474"	540.649167	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+H+K"	39.970434
"1447498"	193.539867	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H+K"	39.970434
"236097"	736.252426	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+ACN+H"	42.033826
"1212460"	389.143126	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+ACN+H"	42.033826
"1194721"	195.075201	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+ACN+2H"	43.041102
"188625"	739.18976	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+2Na-H"	44.97116
"628807"	1086.29906	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+2Na-H"	44.97116
"1131474"	392.08046	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2Na-H"	44.97116
"172953"	370.098518	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+2Na"	45.978436
"612974"	543.653168	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+2Na"	45.978436
"1117664"	196.543868	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2Na"	45.978436
"1401188"	131.365004	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H+2Na"	46.985712
"1433183"	394.122046	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H+HCOOH"	47.012746
"220934"	375.13154	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+3H2O+2H"	56.04448
"1508576"	408.17409	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+IsoProp+H"	61.06479
"410627"	378.085488	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+Na+K"	61.952376
"770892"	551.640138	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+Na+K"	61.952376
"1672330"	204.530838	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Na+K"	61.952376
"252654"	758.234368	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+ACN+Na"	64.015768
"1232654"	411.125068	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+ACN+Na"	64.015768
"1720447"	411.148593	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+NH4+HCOOH"	64.039293
"1184707"	138.692318	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+3Na"	68.967654
"1652050"	416.103988	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Na+HCOOH"	68.994688
"158909"	771.13764	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+2K-H"	76.91904
"599204"	1118.24694	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+2K-H"	76.91904
"1087728"	424.02834	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2K-H"	76.91904
"147828"	386.072458	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"2M+2K"	77.926316
"584108"	559.627108	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"3M+2K"	77.926316
"1074091"	212.517808	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2K"	77.926316
"1110581"	426.042892	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2K+H"	78.933592
"1348061"	426.130507	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+DMSO+H"	79.021207
"1017687"	430.169676	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2ACN+H"	83.060376
"1536906"	431.163308	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+IsoProp+Na+H"	84.054008
"1005262"	215.588476	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+2ACN+2H"	84.067652
"1602486"	432.077928	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+K+HCOOH"	84.968628
"1428628"	462.109438	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+H+CF3COOH"	115.000138
"1162195"	236.101751	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+3ACN+2H"	125.094202
"1709920"	479.135985	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+NH4+CF3COOH"	132.026685
"1648487"	484.09138	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+Na+CF3COOH"	136.98208
"1583408"	500.06532	"C19065"	"Profluralin"	"C14H16F3N3O4"	"347.1093"	"M+K+CF3COOH"	152.95602
"803933"	312.9909	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M"	0
"976371"	293.97251	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-H2O-H"	-19.01839
"63515"	207.653324	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M-3H"	-3.021828
"503926"	311.983624	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M-3H"	-3.021828
"881968"	103.323024	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-3H"	-3.021828
"547"	311.983624	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M-2H"	-2.014552
"440593"	468.479074	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M-2H"	-2.014552
"818149"	155.488174	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-2H"	-2.014552
"80325"	624.974524	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M-H"	-1.007276
"522931"	937.965424	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M-H"	-1.007276
"900732"	311.983624	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-H"	-1.007276
"56200"	642.001071	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M-2H+NH4"	16.019271
"496853"	954.991971	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M-2H+NH4"	16.019271
"872468"	329.010171	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-2H+NH4"	16.019271
"38182"	646.956466	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M-2H+Na"	20.974666
"473735"	959.947366	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M-2H+Na"	20.974666
"856641"	333.965566	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-2H+Na"	20.974666
"1619089"	333.965566	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Na-2H"	20.974666
"95414"	329.971963	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M-H+Cl"	33.962126
"535093"	486.467413	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M-H+Cl"	33.962126
"927152"	173.476513	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-H+Cl"	33.962126
"267534"	660.951202	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+Cl"	34.969402
"661655"	973.942102	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+Cl"	34.969402
"1286100"	347.960302	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Cl"	34.969402
"27198"	662.930406	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M-2H+K"	36.948606
"469926"	975.921306	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M-2H+K"	36.948606
"846025"	349.939506	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-2H+K"	36.948606
"1568783"	349.939506	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+K-2H"	36.948606
"954841"	357.989094	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-H+HCOOH"	44.998194
"374516"	670.980001	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+HCOOH-H"	44.998201
"358402"	684.995651	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+Hac-H"	59.013851
"1505410"	372.004751	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Hac-H"	59.013851
"971858"	379.971051	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-H+NaCOOH"	66.980151
"122951"	347.960302	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+2Cl"	69.938804
"563243"	504.455752	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+2Cl"	69.938804
"1035322"	191.464852	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2Cl"	69.938804
"1251252"	391.909785	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Br"	78.918885
"1314794"	393.965772	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Cl+HCOOH"	80.974872
"1329009"	415.947729	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Cl+NaCOOH"	102.956829
"921163"	425.976486	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M-H+CF3COOH"	112.985586
"1300057"	461.953164	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Cl+CF3COOH"	148.962264
"1373843"	277.978224	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H-2H2O"	-35.012676
"1390248"	295.9882	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H-H2O"	-17.0027
"288840"	626.989076	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+H"	1.007276
"679439"	939.979976	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+H"	1.007276
"1359797"	313.998176	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H"	1.007276
"130500"	313.998176	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+2H"	2.014552
"570060"	470.493626	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+2H"	2.014552
"1045427"	157.502726	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2H"	2.014552
"206397"	209.667876	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+3H"	3.021828
"646570"	313.998176	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+3H"	3.021828
"1164087"	105.337576	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+3H"	3.021828
"425901"	644.015623	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+NH4"	18.033823
"787259"	957.006523	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+NH4"	18.033823
"1681645"	331.024723	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+NH4"	18.033823
"330532"	322.5114495	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+H+NH4"	19.041099
"737062"	479.0068995	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+H+NH4"	19.041099
"1487237"	166.0159995	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H+NH4"	19.041099
"403731"	648.971018	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+Na"	22.989218
"761446"	961.961918	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+Na"	22.989218
"1608452"	335.980118	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Na"	22.989218
"326142"	324.989147	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+H+Na"	23.996494
"710547"	481.484597	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+H+Na"	23.996494
"1466920"	168.493697	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H+Na"	23.996494
"1061258"	112.66489	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2H+Na"	25.00377
"1266216"	346.024386	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+CH3OH+H"	33.033486
"380418"	664.944958	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+K"	38.963158
"743602"	977.935858	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+K"	38.963158
"1542005"	351.954058	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+K"	38.963158
"302097"	332.976117	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+H+K"	39.970434
"691841"	489.471567	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+H+K"	39.970434
"1447240"	176.480667	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H+K"	39.970434
"236572"	668.015626	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+ACN+H"	42.033826
"1212203"	355.024726	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+ACN+H"	42.033826
"1194668"	178.016001	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+ACN+2H"	43.041102
"188874"	670.95296	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+2Na-H"	44.97116
"629121"	983.94386	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+2Na-H"	44.97116
"1131543"	357.96206	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2Na-H"	44.97116
"173125"	335.980118	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+2Na"	45.978436
"612835"	492.475568	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+2Na"	45.978436
"1117774"	179.484668	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2Na"	45.978436
"1404457"	119.992204	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H+2Na"	46.985712
"1433294"	360.003646	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H+HCOOH"	47.012746
"221044"	341.01314	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+3H2O+2H"	56.04448
"1508558"	374.05569	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+IsoProp+H"	61.06479
"410737"	343.967088	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+Na+K"	61.952376
"772826"	500.462538	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+Na+K"	61.952376
"1671346"	187.471638	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Na+K"	61.952376
"251588"	689.997568	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+ACN+Na"	64.015768
"1230576"	377.006668	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+ACN+Na"	64.015768
"1716182"	377.030193	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+NH4+HCOOH"	64.039293
"1182632"	127.319518	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+3Na"	68.967654
"1651067"	381.985588	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Na+HCOOH"	68.994688
"157683"	702.90084	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+2K-H"	76.91904
"598949"	1015.89174	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+2K-H"	76.91904
"1087107"	389.90994	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2K-H"	76.91904
"146844"	351.954058	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"2M+2K"	77.926316
"586405"	508.449508	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"3M+2K"	77.926316
"1074201"	195.458608	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2K"	77.926316
"1110691"	391.924492	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2K+H"	78.933592
"1344892"	392.012107	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+DMSO+H"	79.021207
"1017069"	396.051276	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2ACN+H"	83.060376
"1535195"	397.044908	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+IsoProp+Na+H"	84.054008
"1004925"	198.529276	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+2ACN+2H"	84.067652
"1602652"	397.959528	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+K+HCOOH"	84.968628
"1428981"	427.991038	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+H+CF3COOH"	115.000138
"1162305"	219.042551	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+3ACN+2H"	125.094202
"1707844"	445.017585	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+NH4+CF3COOH"	132.026685
"1647868"	449.97298	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+Na+CF3COOH"	136.98208
"1583518"	465.94692	"C19066"	"Chlomethoxyfen"	"C13H9Cl2NO4"	"312.9909"	"M+K+CF3COOH"	152.95602
"807323"	80.9617	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M"	0
"984135"	61.94331	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-H2O-H"	-19.01839
"63631"	52.9671906666667	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M-3H"	-3.021828
"505375"	79.954424	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M-3H"	-3.021828
"880990"	25.9799573333333	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-3H"	-3.021828
"2117"	79.954424	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M-2H"	-2.014552
"441677"	120.435274	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M-2H"	-2.014552
"817658"	39.473574	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-2H"	-2.014552
"81296"	160.916124	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M-H"	-1.007276
"524135"	241.877824	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M-H"	-1.007276
"896712"	79.954424	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-H"	-1.007276
"50847"	177.942671	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M-2H+NH4"	16.019271
"492592"	258.904371	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M-2H+NH4"	16.019271
"871488"	96.980971	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-2H+NH4"	16.019271
"35015"	182.898066	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M-2H+Na"	20.974666
"475670"	263.859766	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M-2H+Na"	20.974666
"857846"	101.936366	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-2H+Na"	20.974666
"1623008"	101.936366	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Na-2H"	20.974666
"95525"	97.942763	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M-H+Cl"	33.962126
"535452"	138.423613	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M-H+Cl"	33.962126
"927754"	57.461913	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-H+Cl"	33.962126
"272267"	196.892802	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+Cl"	34.969402
"665781"	277.854502	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+Cl"	34.969402
"1287429"	115.931102	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Cl"	34.969402
"29496"	198.872006	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M-2H+K"	36.948606
"470972"	279.833706	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M-2H+K"	36.948606
"846498"	117.910306	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-2H+K"	36.948606
"1570353"	117.910306	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+K-2H"	36.948606
"957754"	125.959894	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-H+HCOOH"	44.998194
"377040"	206.921601	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+HCOOH-H"	44.998201
"359605"	220.937251	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+Hac-H"	59.013851
"1507346"	139.975551	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Hac-H"	59.013851
"972331"	147.941851	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-H+NaCOOH"	66.980151
"123427"	115.931102	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+2Cl"	69.938804
"565059"	156.411952	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+2Cl"	69.938804
"1031782"	75.450252	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2Cl"	69.938804
"1255738"	159.880585	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Br"	78.918885
"1315634"	161.936572	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Cl+HCOOH"	80.974872
"1332401"	183.918529	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Cl+NaCOOH"	102.956829
"925892"	193.947286	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M-H+CF3COOH"	112.985586
"1303573"	229.923964	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Cl+CF3COOH"	148.962264
"1377237"	45.949024	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H-2H2O"	-35.012676
"1395097"	63.959	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H-H2O"	-17.0027
"294418"	162.930676	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+H"	1.007276
"684653"	243.892376	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+H"	1.007276
"1366470"	81.968976	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H"	1.007276
"138630"	81.968976	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+2H"	2.014552
"577096"	122.449826	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+2H"	2.014552
"1051730"	41.488126	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2H"	2.014552
"206510"	54.9817426666667	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+3H"	3.021828
"647533"	81.968976	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+3H"	3.021828
"1167846"	27.9945093333333	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+3H"	3.021828
"426011"	179.957223	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+NH4"	18.033823
"787735"	260.918923	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+NH4"	18.033823
"1681634"	98.995523	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+NH4"	18.033823
"330278"	90.4822495	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+H+NH4"	19.041099
"737900"	130.9630995	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+H+NH4"	19.041099
"1491723"	50.0013995	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H+NH4"	19.041099
"406029"	184.912618	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+Na"	22.989218
"769457"	265.874318	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+Na"	22.989218
"1618042"	103.950918	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Na"	22.989218
"329417"	92.959947	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+H+Na"	23.996494
"716490"	133.440797	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+H+Na"	23.996494
"1474685"	52.479097	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H+Na"	23.996494
"1065741"	35.3218233333333	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2H+Na"	25.00377
"1268514"	113.995186	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+CH3OH+H"	33.033486
"387090"	200.886558	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+K"	38.963158
"750272"	281.848258	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+K"	38.963158
"1545762"	119.924858	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+K"	38.963158
"306218"	100.946917	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+H+K"	39.970434
"696452"	141.427767	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+H+K"	39.970434
"1447355"	60.466067	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H+K"	39.970434
"237413"	203.957226	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+ACN+H"	42.033826
"1212678"	122.995526	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+ACN+H"	42.033826
"1194413"	62.001401	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+ACN+2H"	43.041102
"188783"	206.89456	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+2Na-H"	44.97116
"631181"	287.85626	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+2Na-H"	44.97116
"1132985"	125.93286	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2Na-H"	44.97116
"179073"	103.950918	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+2Na"	45.978436
"614379"	144.431768	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+2Na"	45.978436
"1122139"	63.470068	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2Na"	45.978436
"1407850"	42.6491373333333	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H+2Na"	46.985712
"1442884"	127.974446	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H+HCOOH"	47.012746
"225288"	108.98394	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+3H2O+2H"	56.04448
"1516629"	142.02649	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+IsoProp+H"	61.06479
"414129"	111.937888	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+Na+K"	61.952376
"772938"	152.418738	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+Na+K"	61.952376
"1673644"	71.457038	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Na+K"	61.952376
"256885"	225.939168	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+ACN+Na"	64.015768
"1228500"	144.977468	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+ACN+Na"	64.015768
"1716292"	145.000993	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+NH4+HCOOH"	64.039293
"1182742"	49.9764513333333	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+3Na"	68.967654
"1652636"	149.956388	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Na+HCOOH"	68.994688
"160596"	238.84244	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+2K-H"	76.91904
"608906"	319.80414	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+2K-H"	76.91904
"1093419"	157.88074	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2K-H"	76.91904
"154249"	119.924858	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"2M+2K"	77.926316
"591983"	160.405708	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"3M+2K"	77.926316
"1075404"	79.444008	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2K"	77.926316
"1102053"	159.895292	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2K+H"	78.933592
"1346094"	159.982907	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+DMSO+H"	79.021207
"1017179"	164.022076	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2ACN+H"	83.060376
"1533845"	165.015708	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+IsoProp+Na+H"	84.054008
"1004914"	82.514676	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+2ACN+2H"	84.067652
"1602617"	165.930328	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+K+HCOOH"	84.968628
"1429874"	195.961838	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+H+CF3COOH"	115.000138
"1162749"	103.027951	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+3ACN+2H"	125.094202
"1712086"	212.988385	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+NH4+CF3COOH"	132.026685
"1649072"	217.94378	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+Na+CF3COOH"	136.98208
"1583628"	233.91772	"C19067"	"Potassium cyanate"	"KCNO"	"80.9617"	"M+K+CF3COOH"	152.95602
"813994"	296.1008	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M"	0
"984247"	277.08241	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-H2O-H"	-19.01839
"65930"	196.393257333333	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M-3H"	-3.021828
"504398"	295.093524	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M-3H"	-3.021828
"885480"	97.6929906666667	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-3H"	-3.021828
"2230"	295.093524	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M-2H"	-2.014552
"441303"	443.143924	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M-2H"	-2.014552
"821418"	147.043124	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-2H"	-2.014552
"83595"	591.194324	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M-H"	-1.007276
"524248"	887.295124	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M-H"	-1.007276
"902050"	295.093524	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-H"	-1.007276
"57518"	608.220871	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M-2H+NH4"	16.019271
"499993"	904.321671	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M-2H+NH4"	16.019271
"872691"	312.120071	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-2H+NH4"	16.019271
"36219"	613.176266	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M-2H+Na"	20.974666
"480154"	909.277066	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M-2H+Na"	20.974666
"861236"	317.075466	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-2H+Na"	20.974666
"1626398"	317.075466	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Na-2H"	20.974666
"97462"	313.081863	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M-H+Cl"	33.962126
"541394"	461.132263	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M-H+Cl"	33.962126
"930536"	165.031463	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-H+Cl"	33.962126
"273471"	627.171002	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+Cl"	34.969402
"664798"	923.271802	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+Cl"	34.969402
"1286933"	331.070202	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Cl"	34.969402
"28513"	629.150206	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M-2H+K"	36.948606
"469177"	925.251006	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M-2H+K"	36.948606
"845881"	333.049406	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-2H+K"	36.948606
"1569370"	333.049406	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+K-2H"	36.948606
"955065"	341.098994	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-H+HCOOH"	44.998194
"375105"	637.199801	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+HCOOH-H"	44.998201
"359351"	651.215451	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+Hac-H"	59.013851
"1506722"	355.114651	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Hac-H"	59.013851
"973169"	363.080951	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-H+NaCOOH"	66.980151
"123173"	331.070202	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+2Cl"	69.938804
"564191"	479.120602	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+2Cl"	69.938804
"1035178"	183.019802	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2Cl"	69.938804
"1255117"	375.019685	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Br"	78.918885
"1317931"	377.075672	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Cl+HCOOH"	80.974872
"1333606"	399.057629	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Cl+NaCOOH"	102.956829
"925758"	409.086386	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M-H+CF3COOH"	112.985586
"1304161"	445.063064	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Cl+CF3COOH"	148.962264
"1377344"	261.088124	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H-2H2O"	-35.012676
"1392654"	279.0981	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H-H2O"	-17.0027
"293070"	593.208876	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+H"	1.007276
"686221"	889.309676	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+H"	1.007276
"1366339"	297.108076	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H"	1.007276
"137646"	297.108076	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+2H"	2.014552
"577572"	445.158476	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+2H"	2.014552
"1050381"	149.057676	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2H"	2.014552
"206255"	198.407809333333	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+3H"	3.021828
"645205"	297.108076	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+3H"	3.021828
"1166858"	99.7075426666667	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+3H"	3.021828
"426484"	610.235423	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+NH4"	18.033823
"790031"	906.336223	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+NH4"	18.033823
"1682110"	314.134623	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+NH4"	18.033823
"331726"	305.6213495	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+H+NH4"	19.041099
"735822"	453.6717495	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+H+NH4"	19.041099
"1491469"	157.5709495	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H+NH4"	19.041099
"405047"	615.190818	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+Na"	22.989218
"767138"	911.291618	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+Na"	22.989218
"1617057"	319.090018	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Na"	22.989218
"328915"	308.099047	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+H+Na"	23.996494
"722719"	456.149447	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+H+Na"	23.996494
"1475157"	160.048647	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H+Na"	23.996494
"1063666"	107.034856666667	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2H+Na"	25.00377
"1269719"	329.134286	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+CH3OH+H"	33.033486
"387200"	631.164758	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+K"	38.963158
"749289"	927.265558	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+K"	38.963158
"1542591"	335.063958	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+K"	38.963158
"303048"	316.086017	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+H+K"	39.970434
"697655"	464.136417	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+H+K"	39.970434
"1450381"	168.035617	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H+K"	39.970434
"238985"	634.235426	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+ACN+H"	42.033826
"1212426"	338.134626	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+ACN+H"	42.033826
"1195946"	169.570951	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+ACN+2H"	43.041102
"191004"	637.17276	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+2Na-H"	44.97116
"633481"	933.27356	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+2Na-H"	44.97116
"1140267"	341.07196	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2Na-H"	44.97116
"185746"	319.090018	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+2Na"	45.978436
"625304"	467.140418	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+2Na"	45.978436
"1126624"	171.039618	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2Na"	45.978436
"1412337"	114.362170666667	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H+2Na"	46.985712
"1444452"	343.113546	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H+HCOOH"	47.012746
"230864"	324.12304	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+3H2O+2H"	56.04448
"1520019"	357.16559	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+IsoProp+H"	61.06479
"417519"	327.076988	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+Na+K"	61.952376
"777421"	475.127388	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+Na+K"	61.952376
"1678128"	179.026588	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Na+K"	61.952376
"258088"	656.217368	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+ACN+Na"	64.015768
"1232984"	360.116568	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+ACN+Na"	64.015768
"1724056"	360.140093	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+NH4+HCOOH"	64.039293
"1186133"	121.689484666667	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+3Na"	68.967654
"1651651"	365.095488	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Na+HCOOH"	68.994688
"158514"	669.12064	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+2K-H"	76.91904
"606830"	965.22144	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+2K-H"	76.91904
"1092436"	373.01984	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2K-H"	76.91904
"153631"	335.063958	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"2M+2K"	77.926316
"593187"	483.114358	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"3M+2K"	77.926316
"1073326"	187.013558	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2K"	77.926316
"1100460"	375.034392	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2K+H"	78.933592
"1342923"	375.122007	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+DMSO+H"	79.021207
"1008171"	379.161176	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2ACN+H"	83.060376
"1533955"	380.154808	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+IsoProp+Na+H"	84.054008
"1004051"	190.084226	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+2ACN+2H"	84.067652
"1599286"	381.069428	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+K+HCOOH"	84.968628
"1428226"	411.100938	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+H+CF3COOH"	115.000138
"1159607"	210.597501	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+3ACN+2H"	125.094202
"1710251"	428.127485	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+NH4+CF3COOH"	132.026685
"1645902"	433.08288	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+Na+CF3COOH"	136.98208
"1583738"	449.05682	"C19068"	"Medinoterb acetate"	"C13H16N2O6"	"296.1008"	"M+K+CF3COOH"	152.95602
"804263"	458.8702	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M"	0
"984356"	439.85181	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-H2O-H"	-19.01839
"66040"	304.906190666667	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M-3H"	-3.021828
"506694"	457.862924	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M-3H"	-3.021828
"883402"	151.949457333333	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-3H"	-3.021828
"4160"	457.862924	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M-2H"	-2.014552
"443355"	687.298024	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M-2H"	-2.014552
"818973"	228.427824	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-2H"	-2.014552
"81152"	916.733124	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M-H"	-1.007276
"521442"	1375.603324	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M-H"	-1.007276
"901066"	457.862924	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-H"	-1.007276
"57627"	933.759671	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M-2H+NH4"	16.019271
"493907"	1392.629871	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M-2H+NH4"	16.019271
"872804"	474.889471	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-2H+NH4"	16.019271
"40705"	938.715066	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M-2H+Na"	20.974666
"483547"	1397.585266	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M-2H+Na"	20.974666
"858069"	479.844866	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-2H+Na"	20.974666
"1626508"	479.844866	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Na-2H"	20.974666
"97574"	475.851263	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M-H+Cl"	33.962126
"538229"	705.286363	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M-H+Cl"	33.962126
"935026"	246.416163	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-H+Cl"	33.962126
"277594"	952.709802	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+Cl"	34.969402
"669283"	1411.580002	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+Cl"	34.969402
"1286921"	493.839602	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Cl"	34.969402
"30858"	954.689006	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M-2H+K"	36.948606
"469652"	1413.559206	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M-2H+K"	36.948606
"848100"	495.818806	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-2H+K"	36.948606
"1569845"	495.818806	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+K-2H"	36.948606
"957283"	503.868394	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-H+HCOOH"	44.998194
"374483"	962.738601	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+HCOOH-H"	44.998201
"361042"	976.754251	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+Hac-H"	59.013851
"1506469"	517.884051	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Hac-H"	59.013851
"972551"	525.850351	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-H+NaCOOH"	66.980151
"121456"	493.839602	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+2Cl"	69.938804
"564301"	723.274702	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+2Cl"	69.938804
"1032005"	264.404502	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2Cl"	69.938804
"1252311"	537.789085	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Br"	78.918885
"1315853"	539.845072	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Cl+HCOOH"	80.974872
"1329339"	561.827029	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Cl+NaCOOH"	102.956829
"922587"	571.855786	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M-H+CF3COOH"	112.985586
"1296014"	607.832464	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Cl+CF3COOH"	148.962264
"1373084"	423.857524	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H-2H2O"	-35.012676
"1390581"	441.8675	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H-H2O"	-17.0027
"292455"	918.747676	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+H"	1.007276
"680499"	1377.617876	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+H"	1.007276
"1356849"	459.877476	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H"	1.007276
"128646"	459.877476	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+2H"	2.014552
"569298"	689.312576	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+2H"	2.014552
"1041378"	230.442376	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2H"	2.014552
"205271"	306.920742666667	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+3H"	3.021828
"644950"	459.877476	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+3H"	3.021828
"1164537"	153.964009333333	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+3H"	3.021828
"424651"	935.774223	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+NH4"	18.033823
"789053"	1394.644423	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+NH4"	18.033823
"1682101"	476.904023	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+NH4"	18.033823
"331476"	468.3907495	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+H+NH4"	19.041099
"731555"	697.8258495	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+H+NH4"	19.041099
"1492550"	238.9556495	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H+NH4"	19.041099
"402971"	940.729618	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+Na"	22.989218
"766153"	1399.599818	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+Na"	22.989218
"1616805"	481.859418	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Na"	22.989218
"327567"	470.868447	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+H+Na"	23.996494
"721813"	700.303547	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+H+Na"	23.996494
"1474543"	241.433347	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H+Na"	23.996494
"1062683"	161.291323333333	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2H+Na"	25.00377
"1268734"	491.903686	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+CH3OH+H"	33.033486
"386217"	956.703558	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+K"	38.963158
"743933"	1415.573758	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+K"	38.963158
"1547075"	497.833358	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+K"	38.963158
"303158"	478.855417	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+H+K"	39.970434
"696672"	708.290517	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+H+K"	39.970434
"1449399"	249.420317	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H+K"	39.970434
"241286"	959.774226	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+ACN+H"	42.033826
"1210837"	500.904026	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+ACN+H"	42.033826
"1196786"	250.955651	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+ACN+2H"	43.041102
"189777"	962.71156	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+2Na-H"	44.97116
"631158"	1421.58176	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+2Na-H"	44.97116
"1135273"	503.84136	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2Na-H"	44.97116
"182575"	481.859418	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+2Na"	45.978436
"621041"	711.294518	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+2Na"	45.978436
"1127827"	252.424318	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2Na"	45.978436
"1411350"	168.618637333333	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H+2Na"	46.985712
"1443472"	505.882946	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H+HCOOH"	47.012746
"230974"	486.89244	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+3H2O+2H"	56.04448
"1519038"	519.93499	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+IsoProp+H"	61.06479
"418725"	489.846388	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+Na+K"	61.952376
"780814"	719.281488	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+Na+K"	61.952376
"1672773"	260.411288	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Na+K"	61.952376
"254919"	981.756168	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+ACN+Na"	64.015768
"1233095"	522.885968	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+ACN+Na"	64.015768
"1721982"	522.909493	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+NH4+HCOOH"	64.039293
"1180777"	175.945951333333	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+3Na"	68.967654
"1653953"	527.864888	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Na+HCOOH"	68.994688
"159110"	994.65944	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+2K-H"	76.91904
"608036"	1453.52964	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+2K-H"	76.91904
"1090364"	535.78924	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2K-H"	76.91904
"153011"	497.833358	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"2M+2K"	77.926316
"592205"	727.268458	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"3M+2K"	77.926316
"1073436"	268.398258	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2K"	77.926316
"1100447"	537.803792	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2K+H"	78.933592
"1344127"	537.891407	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+DMSO+H"	79.021207
"1016669"	541.930576	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2ACN+H"	83.060376
"1537348"	542.924208	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+IsoProp+Na+H"	84.054008
"1004161"	271.468926	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+2ACN+2H"	84.067652
"1600125"	543.838828	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+K+HCOOH"	84.968628
"1428336"	573.870338	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+H+CF3COOH"	115.000138
"1158625"	291.982201	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+3ACN+2H"	125.094202
"1709269"	590.896885	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+NH4+CF3COOH"	132.026685
"1644919"	595.85228	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+Na+CF3COOH"	136.98208
"1577286"	611.82622	"C19069"	"Bromofenoxim"	"C13H7Br2N3O6"	"458.8702"	"M+K+CF3COOH"	152.95602
"812031"	292.0502	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M"	0
"982282"	273.03181	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-H2O-H"	-19.01839
"66151"	193.692857333333	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M-3H"	-3.021828
"510087"	291.042924	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M-3H"	-3.021828
"884605"	96.3427906666667	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-3H"	-3.021828
"2088"	291.042924	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M-2H"	-2.014552
"442010"	437.068024	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M-2H"	-2.014552
"820539"	145.017824	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-2H"	-2.014552
"81263"	583.093124	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M-H"	-1.007276
"521189"	875.143324	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M-H"	-1.007276
"903363"	291.042924	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-H"	-1.007276
"59924"	600.119671	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M-2H+NH4"	16.019271
"492925"	892.169871	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M-2H+NH4"	16.019271
"872916"	308.069471	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-2H+NH4"	16.019271
"39724"	605.075066	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M-2H+Na"	20.974666
"482930"	897.125266	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M-2H+Na"	20.974666
"859273"	313.024866	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-2H+Na"	20.974666
"1619129"	313.024866	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Na-2H"	20.974666
"98780"	309.031263	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M-H+Cl"	33.962126
"539435"	455.056363	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M-H+Cl"	33.962126
"936231"	163.006163	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-H+Cl"	33.962126
"281354"	619.069802	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+Cl"	34.969402
"674630"	911.120002	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+Cl"	34.969402
"1285089"	327.019602	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Cl"	34.969402
"31420"	621.049006	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M-2H+K"	36.948606
"470855"	913.099206	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M-2H+K"	36.948606
"846832"	328.998806	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-2H+K"	36.948606
"1570562"	328.998806	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+K-2H"	36.948606
"958002"	337.048394	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-H+HCOOH"	44.998194
"375685"	629.098601	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+HCOOH-H"	44.998201
"359570"	643.114251	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+Hac-H"	59.013851
"1507185"	351.064051	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Hac-H"	59.013851
"971566"	359.030351	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-H+NaCOOH"	66.980151
"121570"	327.019602	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+2Cl"	69.938804
"561859"	473.044702	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+2Cl"	69.938804
"1029928"	180.994502	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2Cl"	69.938804
"1252421"	370.969085	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Br"	78.918885
"1311953"	373.025072	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Cl+HCOOH"	80.974872
"1326174"	395.007029	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Cl+NaCOOH"	102.956829
"915407"	405.035786	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M-H+CF3COOH"	112.985586
"1293939"	441.012464	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Cl+CF3COOH"	148.962264
"1371008"	257.037524	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H-2H2O"	-35.012676
"1393974"	275.0475	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H-H2O"	-17.0027
"286004"	585.107676	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+H"	1.007276
"679516"	877.157876	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+H"	1.007276
"1358052"	293.057476	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H"	1.007276
"129849"	293.057476	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+2H"	2.014552
"567225"	439.082576	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+2H"	2.014552
"1041495"	147.032376	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2H"	2.014552
"205136"	195.707409333333	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+3H"	3.021828
"646407"	293.057476	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+3H"	3.021828
"1165990"	98.3573426666667	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+3H"	3.021828
"424600"	602.134223	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+NH4"	18.033823
"786977"	894.184423	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+NH4"	18.033823
"1690966"	310.084023	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+NH4"	18.033823
"345206"	301.5707495	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+H+NH4"	19.041099
"724021"	447.5958495	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+H+NH4"	19.041099
"1492053"	155.5456495	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H+NH4"	19.041099
"405267"	607.089618	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+Na"	22.989218
"767354"	899.139818	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+Na"	22.989218
"1613264"	315.039418	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Na"	22.989218
"322210"	304.048447	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+H+Na"	23.996494
"710261"	450.073547	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+H+Na"	23.996494
"1463351"	158.023347	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H+Na"	23.996494
"1057325"	105.684656666667	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2H+Na"	25.00377
"1264471"	325.083686	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+CH3OH+H"	33.033486
"380130"	623.063558	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+K"	38.963158
"742946"	915.113758	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+K"	38.963158
"1542086"	331.013358	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+K"	38.963158
"304364"	312.035417	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+H+K"	39.970434
"695689"	458.060517	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+H+K"	39.970434
"1447690"	166.010317	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H+K"	39.970434
"238119"	626.134226	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+ACN+H"	42.033826
"1214107"	334.084026	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+ACN+H"	42.033826
"1196531"	167.545651	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+ACN+2H"	43.041102
"194142"	629.07156	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+2Na-H"	44.97116
"634796"	921.12176	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+2Na-H"	44.97116
"1138664"	337.02136	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2Na-H"	44.97116
"181955"	315.039418	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+2Na"	45.978436
"621152"	461.064518	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+2Na"	45.978436
"1125751"	169.014318	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2Na"	45.978436
"1406359"	113.011970666667	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H+2Na"	46.985712
"1440296"	339.062946	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H+HCOOH"	47.012746
"231084"	320.07244	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+3H2O+2H"	56.04448
"1516960"	353.11499	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+IsoProp+H"	61.06479
"410087"	323.026388	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+Na+K"	61.952376
"773998"	469.051488	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+Na+K"	61.952376
"1668144"	177.001288	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Na+K"	61.952376
"256121"	648.116168	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+ACN+Na"	64.015768
"1226644"	356.065968	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+ACN+Na"	64.015768
"1714440"	356.089493	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+NH4+HCOOH"	64.039293
"1184171"	120.339284666667	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+3Na"	68.967654
"1660629"	361.044888	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Na+HCOOH"	68.994688
"165303"	661.01944	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+2K-H"	76.91904
"608875"	953.06964	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+2K-H"	76.91904
"1096668"	368.96924	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2K-H"	76.91904
"153848"	331.013358	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"2M+2K"	77.926316
"589037"	477.038458	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"3M+2K"	77.926316
"1080110"	184.988258	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2K"	77.926316
"1113688"	370.983792	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2K+H"	78.933592
"1346425"	371.071407	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+DMSO+H"	79.021207
"1018239"	375.110576	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2ACN+H"	83.060376
"1536364"	376.104208	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+IsoProp+Na+H"	84.054008
"1004636"	188.058926	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+2ACN+2H"	84.067652
"1602182"	377.018828	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+K+HCOOH"	84.968628
"1428081"	407.050338	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+H+CF3COOH"	115.000138
"1160922"	208.572201	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+3ACN+2H"	125.094202
"1708284"	424.076885	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+NH4+CF3COOH"	132.026685
"1647215"	429.03228	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+Na+CF3COOH"	136.98208
"1583958"	445.00622	"C19070"	"Clofop"	"C15H13ClO4"	"292.0502"	"M+K+CF3COOH"	152.95602
"813235"	285.9469	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M"	0
"979111"	266.92851	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-H2O-H"	-19.01839
"65165"	189.623990666667	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M-3H"	-3.021828
"506915"	284.939624	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M-3H"	-3.021828
"884715"	94.3083573333333	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-3H"	-3.021828
"3291"	284.939624	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M-2H"	-2.014552
"440661"	427.913074	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M-2H"	-2.014552
"820285"	141.966174	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-2H"	-2.014552
"79914"	570.886524	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M-H"	-1.007276
"527855"	856.833424	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M-H"	-1.007276
"899096"	284.939624	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-H"	-1.007276
"47635"	587.913071	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M-2H+NH4"	16.019271
"490846"	873.859971	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M-2H+NH4"	16.019271
"873026"	301.966171	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-2H+NH4"	16.019271
"39835"	592.868466	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M-2H+Na"	20.974666
"483769"	878.815366	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M-2H+Na"	20.974666
"859382"	306.921566	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-2H+Na"	20.974666
"1618506"	306.921566	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Na-2H"	20.974666
"94999"	302.927963	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M-H+Cl"	33.962126
"538447"	445.901413	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M-H+Cl"	33.962126
"934154"	159.954513	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-H+Cl"	33.962126
"282696"	606.863202	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+Cl"	34.969402
"673891"	892.810102	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+Cl"	34.969402
"1287956"	320.916302	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Cl"	34.969402
"31352"	608.842406	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M-2H+K"	36.948606
"468406"	894.789306	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M-2H+K"	36.948606
"844025"	322.895506	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-2H+K"	36.948606
"1566418"	322.895506	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+K-2H"	36.948606
"957460"	330.945094	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-H+HCOOH"	44.998194
"373612"	616.892001	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+HCOOH-H"	44.998201
"359680"	630.907651	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+Hac-H"	59.013851
"1505229"	344.960751	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Hac-H"	59.013851
"971680"	352.927051	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-H+NaCOOH"	66.980151
"121316"	320.916302	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+2Cl"	69.938804
"563429"	463.889752	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+2Cl"	69.938804
"1035146"	177.942852	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2Cl"	69.938804
"1252897"	364.865785	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Br"	78.918885
"1312063"	366.921772	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Cl+HCOOH"	80.974872
"1326284"	388.903729	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Cl+NaCOOH"	102.956829
"915882"	398.932486	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M-H+CF3COOH"	112.985586
"1294049"	434.909164	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Cl+CF3COOH"	148.962264
"1371482"	250.934224	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H-2H2O"	-35.012676
"1395177"	268.9442	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H-H2O"	-17.0027
"290488"	572.901076	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+H"	1.007276
"681815"	858.847976	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+H"	1.007276
"1362539"	286.954176	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H"	1.007276
"132875"	286.954176	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+2H"	2.014552
"573900"	429.927626	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+2H"	2.014552
"1041605"	143.980726	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2H"	2.014552
"205247"	191.638542666667	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+3H"	3.021828
"646153"	286.954176	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+3H"	3.021828
"1165007"	96.3229093333334	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+3H"	3.021828
"424997"	589.927623	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+NH4"	18.033823
"788180"	875.874523	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+NH4"	18.033823
"1688890"	303.980723	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+NH4"	18.033823
"345438"	295.4674495	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+H+NH4"	19.041099
"736888"	438.4408995	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+H+NH4"	19.041099
"1489977"	152.4939995	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H+NH4"	19.041099
"405377"	594.883018	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+Na"	22.989218
"767831"	880.829918	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+Na"	22.989218
"1612282"	308.936118	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Na"	22.989218
"324508"	297.945147	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+H+Na"	23.996494
"710370"	440.918597	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+H+Na"	23.996494
"1464553"	154.971697	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H+Na"	23.996494
"1058527"	103.650223333333	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2H+Na"	25.00377
"1265673"	318.980386	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+CH3OH+H"	33.033486
"383156"	610.856958	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+K"	38.963158
"744152"	896.803858	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+K"	38.963158
"1542926"	324.910058	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+K"	38.963158
"302287"	305.932117	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+H+K"	39.970434
"696895"	448.905567	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+H+K"	39.970434
"1450718"	162.958667	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H+K"	39.970434
"240416"	613.927626	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+ACN+H"	42.033826
"1213124"	327.980726	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+ACN+H"	42.033826
"1199195"	164.494001	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+ACN+2H"	43.041102
"192064"	616.86496	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+2Na-H"	44.97116
"632719"	902.81186	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+2Na-H"	44.97116
"1132942"	330.91806	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2Na-H"	44.97116
"180609"	308.936118	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+2Na"	45.978436
"620169"	451.909568	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+2Na"	45.978436
"1123676"	165.962668	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2Na"	45.978436
"1403920"	110.977537333333	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H+2Na"	46.985712
"1438950"	332.959646	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H+HCOOH"	47.012746
"233019"	313.96914	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+3H2O+2H"	56.04448
"1519987"	347.01169	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+IsoProp+H"	61.06479
"412021"	316.923088	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+Na+K"	61.952376
"774837"	459.896538	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+Na+K"	61.952376
"1670808"	173.949638	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Na+K"	61.952376
"256233"	635.909568	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+ACN+Na"	64.015768
"1226755"	349.962668	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+ACN+Na"	64.015768
"1712767"	349.986193	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+NH4+HCOOH"	64.039293
"1187562"	118.304851333333	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+3Na"	68.967654
"1661469"	354.941588	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Na+HCOOH"	68.994688
"165413"	648.81284	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+2K-H"	76.91904
"610080"	934.75974	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+2K-H"	76.91904
"1095321"	362.86594	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2K-H"	76.91904
"151773"	324.910058	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"2M+2K"	77.926316
"586960"	467.883508	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"3M+2K"	77.926316
"1076941"	181.936608	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2K"	77.926316
"1112704"	364.880492	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2K+H"	78.933592
"1346538"	364.968107	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+DMSO+H"	79.021207
"1019446"	369.007276	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2ACN+H"	83.060376
"1536477"	370.000908	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+IsoProp+Na+H"	84.054008
"1004746"	185.007276	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+2ACN+2H"	84.067652
"1601071"	370.915528	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+K+HCOOH"	84.968628
"1428557"	400.947038	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+H+CF3COOH"	115.000138
"1161033"	205.520551	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+3ACN+2H"	125.094202
"1709486"	417.973585	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+NH4+CF3COOH"	132.026685
"1640761"	422.92898	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+Na+CF3COOH"	136.98208
"1574227"	438.90292	"C19071"	"Disul"	"C8H8Cl2O5S"	"285.9469"	"M+K+CF3COOH"	152.95602
"805687"	363.8994	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M"	0
"983596"	344.88101	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-H2O-H"	-19.01839
"64059"	241.592324	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M-3H"	-3.021828
"510304"	362.892124	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M-3H"	-3.021828
"881545"	120.292524	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-3H"	-3.021828
"3401"	362.892124	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M-2H"	-2.014552
"442230"	544.841824	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M-2H"	-2.014552
"819666"	180.942424	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-2H"	-2.014552
"80751"	726.791524	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M-H"	-1.007276
"524685"	1090.690924	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M-H"	-1.007276
"899206"	362.892124	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-H"	-1.007276
"48593"	743.818071	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M-2H+NH4"	16.019271
"492049"	1107.717471	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M-2H+NH4"	16.019271
"870948"	379.918671	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-2H+NH4"	16.019271
"34476"	748.773466	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M-2H+Na"	20.974666
"477317"	1112.672866	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M-2H+Na"	20.974666
"857304"	384.874066	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-2H+Na"	20.974666
"1619308"	384.874066	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Na-2H"	20.974666
"95715"	380.880463	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M-H+Cl"	33.962126
"534906"	562.830163	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M-H+Cl"	33.962126
"937179"	198.930763	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-H+Cl"	33.962126
"280601"	762.768202	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+Cl"	34.969402
"673757"	1126.667602	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+Cl"	34.969402
"1287623"	398.868802	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Cl"	34.969402
"30298"	764.747406	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M-2H+K"	36.948606
"468515"	1128.646806	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M-2H+K"	36.948606
"846442"	400.848006	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-2H+K"	36.948606
"1569079"	400.848006	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+K-2H"	36.948606
"954409"	408.897594	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-H+HCOOH"	44.998194
"375178"	772.797001	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+HCOOH-H"	44.998201
"360278"	786.812651	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+Hac-H"	59.013851
"1502058"	422.913251	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Hac-H"	59.013851
"972518"	430.879551	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-H+NaCOOH"	66.980151
"122519"	398.868802	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+2Cl"	69.938804
"562808"	580.818502	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+2Cl"	69.938804
"1036106"	216.919102	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2Cl"	69.938804
"1250820"	442.818285	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Br"	78.918885
"1312172"	444.874272	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Cl+HCOOH"	80.974872
"1327486"	466.856229	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Cl+NaCOOH"	102.956829
"917450"	476.884986	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M-H+CF3COOH"	112.985586
"1294159"	512.861664	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Cl+CF3COOH"	148.962264
"1372321"	328.886724	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H-2H2O"	-35.012676
"1395287"	346.8967	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H-H2O"	-17.0027
"291691"	728.806076	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+H"	1.007276
"681559"	1092.705476	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+H"	1.007276
"1360462"	364.906676	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H"	1.007276
"133349"	364.906676	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+2H"	2.014552
"571823"	546.856376	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+2H"	2.014552
"1042808"	182.956976	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2H"	2.014552
"205603"	243.606876	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+3H"	3.021828
"648449"	364.906676	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+3H"	3.021828
"1166210"	122.307076	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+3H"	3.021828
"425834"	745.832623	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+NH4"	18.033823
"787925"	1109.732023	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+NH4"	18.033823
"1689000"	381.933223	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+NH4"	18.033823
"344697"	373.4199495	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+H+NH4"	19.041099
"736269"	555.3696495	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+H+NH4"	19.041099
"1490086"	191.4702495	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H+NH4"	19.041099
"405486"	750.788018	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+Na"	22.989218
"766482"	1114.687418	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+Na"	22.989218
"1613485"	386.888618	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Na"	22.989218
"325347"	375.897647	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+H+Na"	23.996494
"714853"	557.847347	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+H+Na"	23.996494
"1464663"	193.947947	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H+Na"	23.996494
"1060823"	129.63439	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2H+Na"	25.00377
"1269062"	396.932886	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+CH3OH+H"	33.033486
"386545"	766.761958	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+K"	38.963158
"747541"	1130.661358	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+K"	38.963158
"1547408"	402.862558	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+K"	38.963158
"302397"	383.884617	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+H+K"	39.970434
"699191"	565.834317	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+H+K"	39.970434
"1451921"	201.934917	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H+K"	39.970434
"240526"	769.832626	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+ACN+H"	42.033826
"1213234"	405.933226	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+ACN+H"	42.033826
"1198207"	203.470251	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+ACN+2H"	43.041102
"192538"	772.76996	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+2Na-H"	44.97116
"631003"	1136.66936	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+2Na-H"	44.97116
"1134146"	408.87056	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2Na-H"	44.97116
"177800"	386.888618	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+2Na"	45.978436
"615901"	568.838318	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+2Na"	45.978436
"1120500"	204.938918	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2Na"	45.978436
"1405119"	136.961704	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H+2Na"	46.985712
"1440154"	410.912146	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H+HCOOH"	47.012746
"230576"	391.92164	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+3H2O+2H"	56.04448
"1516817"	424.96419	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+IsoProp+H"	61.06479
"414683"	394.875588	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+Na+K"	61.952376
"774584"	576.825288	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+Na+K"	61.952376
"1670918"	212.925888	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Na+K"	61.952376
"254156"	791.814568	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+ACN+Na"	64.015768
"1228323"	427.915168	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+ACN+Na"	64.015768
"1713930"	427.938693	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+NH4+HCOOH"	64.039293
"1185485"	144.289018	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+3Na"	68.967654
"1660123"	432.894088	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Na+HCOOH"	68.994688
"165523"	804.71784	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+2K-H"	76.91904
"606911"	1168.61724	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+2K-H"	76.91904
"1093610"	440.81844	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2K-H"	76.91904
"150790"	402.862558	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"2M+2K"	77.926316
"587070"	584.812258	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"3M+2K"	77.926316
"1075229"	220.912858	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2K"	77.926316
"1111721"	442.832992	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2K+H"	78.933592
"1349199"	442.920607	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+DMSO+H"	79.021207
"1019190"	446.959776	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2ACN+H"	83.060376
"1535129"	447.953408	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+IsoProp+Na+H"	84.054008
"1004128"	223.983526	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+2ACN+2H"	84.067652
"1601181"	448.868028	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+K+HCOOH"	84.968628
"1427575"	478.899538	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+H+CF3COOH"	115.000138
"1160049"	244.496801	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+3ACN+2H"	125.094202
"1711054"	495.926085	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+NH4+CF3COOH"	132.026685
"1639778"	500.88148	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+Na+CF3COOH"	136.98208
"1574337"	516.85542	"C19072"	"Erbon"	"C11H9Cl5O3"	"363.8994"	"M+K+CF3COOH"	152.95602
"804704"	382.0487	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M"	0
"984799"	363.03031	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-H2O-H"	-19.01839
"63926"	253.691857333333	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M-3H"	-3.021828
"507135"	381.041424	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M-3H"	-3.021828
"881776"	126.342290666667	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-3H"	-3.021828
"3511"	381.041424	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M-2H"	-2.014552
"441367"	572.065774	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M-2H"	-2.014552
"818683"	190.017074	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-2H"	-2.014552
"80132"	763.090124	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M-H"	-1.007276
"521879"	1145.138824	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M-H"	-1.007276
"897494"	381.041424	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-H"	-1.007276
"47973"	780.116671	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M-2H+NH4"	16.019271
"489973"	1162.165371	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M-2H+NH4"	16.019271
"871058"	398.067971	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-2H+NH4"	16.019271
"34586"	785.072066	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M-2H+Na"	20.974666
"477426"	1167.120766	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M-2H+Na"	20.974666
"854134"	403.023366	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-2H+Na"	20.974666
"1619902"	403.023366	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Na-2H"	20.974666
"96919"	399.029763	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M-H+Cl"	33.962126
"537570"	590.054113	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M-H+Cl"	33.962126
"936560"	208.005413	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-H+Cl"	33.962126
"281440"	799.066802	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+Cl"	34.969402
"673742"	1181.115502	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+Cl"	34.969402
"1286513"	417.018102	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Cl"	34.969402
"30530"	801.046006	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M-2H+K"	36.948606
"464251"	1183.094706	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M-2H+K"	36.948606
"845338"	418.997306	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-2H+K"	36.948606
"1564448"	418.997306	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+K-2H"	36.948606
"949051"	427.046894	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-H+HCOOH"	44.998194
"374194"	809.095601	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+HCOOH-H"	44.998201
"358441"	823.111251	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+Hac-H"	59.013851
"1503627"	441.062551	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Hac-H"	59.013851
"962056"	449.028851	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-H+NaCOOH"	66.980151
"122629"	417.018102	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+2Cl"	69.938804
"557085"	608.042452	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+2Cl"	69.938804
"1032081"	225.993752	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2Cl"	69.938804
"1252023"	460.967585	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Br"	78.918885
"1310096"	463.023572	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Cl+HCOOH"	80.974872
"1329782"	485.005529	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Cl+NaCOOH"	102.956829
"917560"	495.034286	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M-H+CF3COOH"	112.985586
"1294269"	531.010964	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Cl+CF3COOH"	148.962264
"1372431"	347.036024	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H-2H2O"	-35.012676
"1393210"	365.046	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H-H2O"	-17.0027
"287427"	765.104676	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+H"	1.007276
"679848"	1147.153376	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+H"	1.007276
"1359478"	383.055976	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H"	1.007276
"133459"	383.055976	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+2H"	2.014552
"566703"	574.080326	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+2H"	2.014552
"1037931"	192.031626	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2H"	2.014552
"204441"	255.706409333333	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+3H"	3.021828
"648195"	383.055976	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+3H"	3.021828
"1167413"	128.356842666667	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+3H"	3.021828
"427038"	782.131223	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+NH4"	18.033823
"787669"	1164.179923	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+NH4"	18.033823
"1687652"	400.082523	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+NH4"	18.033823
"340676"	391.5692495	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+H+NH4"	19.041099
"730911"	582.5935995	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+H+NH4"	19.041099
"1485824"	200.5448995	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H+NH4"	19.041099
"405595"	787.086618	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+Na"	22.989218
"758934"	1169.135318	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+Na"	22.989218
"1607034"	405.037918	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Na"	22.989218
"323633"	394.046947	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+H+Na"	23.996494
"716055"	585.071297	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+H+Na"	23.996494
"1464409"	203.022597	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H+Na"	23.996494
"1058745"	135.684156666667	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2H+Na"	25.00377
"1260424"	415.082186	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+CH3OH+H"	33.033486
"381186"	803.060558	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+K"	38.963158
"741088"	1185.109258	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+K"	38.963158
"1544237"	421.011858	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+K"	38.963158
"303600"	402.033917	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+H+K"	39.970434
"691599"	593.058267	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+H+K"	39.970434
"1449112"	211.009567	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H+K"	39.970434
"239540"	806.131226	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+ACN+H"	42.033826
"1214437"	424.082526	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+ACN+H"	42.033826
"1198681"	212.544901	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+ACN+2H"	43.041102
"189728"	809.06856	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+2Na-H"	44.97116
"632206"	1191.11726	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+2Na-H"	44.97116
"1134984"	427.01986	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2Na-H"	44.97116
"177910"	405.037918	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+2Na"	45.978436
"616375"	596.062268	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+2Na"	45.978436
"1120610"	214.013568	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2Na"	45.978436
"1406685"	143.011470666667	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H+2Na"	46.985712
"1441356"	429.061446	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H+HCOOH"	47.012746
"230321"	410.07094	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+3H2O+2H"	56.04448
"1515105"	443.11349	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+IsoProp+H"	61.06479
"413700"	413.024888	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+Na+K"	61.952376
"773965"	604.049238	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+Na+K"	61.952376
"1671028"	222.000538	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Na+K"	61.952376
"253536"	828.113168	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+ACN+Na"	64.015768
"1228430"	446.064468	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+ACN+Na"	64.015768
"1714040"	446.087993	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+NH4+HCOOH"	64.039293
"1188875"	150.338784666667	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+3Na"	68.967654
"1660597"	451.043388	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Na+HCOOH"	68.994688
"165633"	841.01644	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+2K-H"	76.91904
"607750"	1223.06514	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+2K-H"	76.91904
"1095178"	458.96774	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2K-H"	76.91904
"151628"	421.011858	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"2M+2K"	77.926316
"587180"	612.036208	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"3M+2K"	77.926316
"1079714"	229.987508	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2K"	77.926316
"1112196"	460.982292	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2K+H"	78.933592
"1348580"	461.069907	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+DMSO+H"	79.021207
"1020153"	465.109076	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2ACN+H"	83.060376
"1537061"	466.102708	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+IsoProp+Na+H"	84.054008
"1004848"	233.058176	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+2ACN+2H"	84.067652
"1601535"	467.017328	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+K+HCOOH"	84.968628
"1426590"	497.048838	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+H+CF3COOH"	115.000138
"1160888"	253.571451	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+3ACN+2H"	125.094202
"1711164"	514.075385	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+NH4+CF3COOH"	132.026685
"1639888"	519.03078	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+Na+CF3COOH"	136.98208
"1574447"	535.00472	"C19073"	"Isoxapyrifop"	"C17H16Cl2N2O4"	"382.0487"	"M+K+CF3COOH"	152.95602
"808094"	236.0716	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M"	0
"983816"	217.05321	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-H2O-H"	-19.01839
"64766"	156.373790666667	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M-3H"	-3.021828
"509431"	235.064324	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M-3H"	-3.021828
"881765"	77.6832573333333	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-3H"	-3.021828
"4714"	235.064324	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M-2H"	-2.014552
"442084"	353.100124	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M-2H"	-2.014552
"818065"	117.028524	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-2H"	-2.014552
"79878"	471.135924	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M-H"	-1.007276
"521626"	707.207524	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M-H"	-1.007276
"896268"	235.064324	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-H"	-1.007276
"47719"	488.162471	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M-2H+NH4"	16.019271
"487243"	724.234071	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M-2H+NH4"	16.019271
"870075"	252.090871	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-2H+NH4"	16.019271
"37976"	493.117866	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M-2H+Na"	20.974666
"476443"	729.189466	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M-2H+Na"	20.974666
"858618"	257.046266	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-2H+Na"	20.974666
"1619408"	257.046266	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Na-2H"	20.974666
"96664"	253.052663	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M-H+Cl"	33.962126
"536587"	371.088463	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M-H+Cl"	33.962126
"934484"	135.016863	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-H+Cl"	33.962126
"282321"	507.112602	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+Cl"	34.969402
"673852"	743.184202	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+Cl"	34.969402
"1287593"	271.041002	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Cl"	34.969402
"31004"	509.091806	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M-2H+K"	36.948606
"462174"	745.163406	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M-2H+K"	36.948606
"837059"	273.020206	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-2H+K"	36.948606
"1561278"	273.020206	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+K-2H"	36.948606
"948065"	281.069794	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-H+HCOOH"	44.998194
"366280"	517.141401	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+HCOOH-H"	44.998201
"350164"	531.157051	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+Hac-H"	59.013851
"1501183"	295.085451	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Hac-H"	59.013851
"966175"	303.051751	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-H+NaCOOH"	66.980151
"118362"	271.041002	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+2Cl"	69.938804
"557192"	389.076802	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+2Cl"	69.938804
"1027086"	153.005202	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2Cl"	69.938804
"1245570"	314.990485	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Br"	78.918885
"1308019"	317.046472	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Cl+HCOOH"	80.974872
"1322232"	339.028429	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Cl+NaCOOH"	102.956829
"913294"	349.057186	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M-H+CF3COOH"	112.985586
"1291097"	385.033864	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Cl+CF3COOH"	148.962264
"1368893"	201.058924	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H-2H2O"	-35.012676
"1387850"	219.0689	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H-H2O"	-17.0027
"288630"	473.150476	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+H"	1.007276
"681052"	709.222076	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+H"	1.007276
"1351934"	237.078876	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H"	1.007276
"128101"	237.078876	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+2H"	2.014552
"566325"	355.114676	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+2H"	2.014552
"1038648"	119.043076	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2H"	2.014552
"204297"	158.388342666667	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+3H"	3.021828
"648304"	237.078876	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+3H"	3.021828
"1165334"	79.6978093333333	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+3H"	3.021828
"424596"	490.177023	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+NH4"	18.033823
"787781"	726.248623	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+NH4"	18.033823
"1688490"	254.105423	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+NH4"	18.033823
"340782"	245.5921495	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+H+NH4"	19.041099
"732841"	363.6279495	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+H+NH4"	19.041099
"1485931"	127.5563495	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H+NH4"	19.041099
"402426"	495.132418	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+Na"	22.989218
"759045"	731.204018	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+Na"	22.989218
"1609329"	259.060818	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Na"	22.989218
"323743"	248.069847	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+H+Na"	23.996494
"716165"	366.105647	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+H+Na"	23.996494
"1466705"	130.034047	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H+Na"	23.996494
"1059948"	87.0251233333333	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2H+Na"	25.00377
"1261627"	269.105086	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+CH3OH+H"	33.033486
"381296"	511.106358	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+K"	38.963158
"744478"	747.177958	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+K"	38.963158
"1543254"	275.034758	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+K"	38.963158
"302617"	256.056817	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+H+K"	39.970434
"691753"	374.092617	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+H+K"	39.970434
"1448129"	138.021017	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H+K"	39.970434
"238189"	514.177026	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+ACN+H"	42.033826
"1216733"	278.105426	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+ACN+H"	42.033826
"1198791"	139.556351	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+ACN+2H"	43.041102
"189475"	517.11436	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+2Na-H"	44.97116
"631223"	753.18596	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+2Na-H"	44.97116
"1133636"	281.04276	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2Na-H"	44.97116
"179113"	259.060818	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+2Na"	45.978436
"616485"	377.096618	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+2Na"	45.978436
"1117804"	141.025018	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2Na"	45.978436
"1403150"	94.3524373333333	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H+2Na"	46.985712
"1435631"	283.084346	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H+HCOOH"	47.012746
"228244"	264.09384	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+3H2O+2H"	56.04448
"1517400"	297.13639	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+IsoProp+H"	61.06479
"421464"	267.047788	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+Na+K"	61.952376
"775897"	385.083588	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+Na+K"	61.952376
"1670407"	149.011988	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Na+K"	61.952376
"259844"	536.158968	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+ACN+Na"	64.015768
"1228177"	300.087368	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+ACN+Na"	64.015768
"1714516"	300.110893	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+NH4+HCOOH"	64.039293
"1183152"	101.679751333333	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+3Na"	68.967654
"1659976"	305.066288	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Na+HCOOH"	68.994688
"167929"	549.06224	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+2K-H"	76.91904
"610046"	785.13384	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+2K-H"	76.91904
"1094191"	312.99064	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2K-H"	76.91904
"152101"	275.034758	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"2M+2K"	77.926316
"585103"	393.070558	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"3M+2K"	77.926316
"1080552"	156.998958	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2K"	77.926316
"1111939"	315.005192	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2K+H"	78.933592
"1345407"	315.092807	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+DMSO+H"	79.021207
"1019899"	319.131976	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2ACN+H"	83.060376
"1538629"	320.125608	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+IsoProp+Na+H"	84.054008
"1004351"	160.069626	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+2ACN+2H"	84.067652
"1600671"	321.040228	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+K+HCOOH"	84.968628
"1427430"	351.071738	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+H+CF3COOH"	115.000138
"1160634"	180.582901	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+3ACN+2H"	125.094202
"1711638"	368.098285	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+NH4+CF3COOH"	132.026685
"1641091"	373.05368	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+Na+CF3COOH"	136.98208
"1575650"	389.02762	"C19074"	"Buturon"	"C12H13ClN2O"	"236.0716"	"M+K+CF3COOH"	152.95602
"804924"	290.0822	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M"	0
"983926"	271.06381	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-H2O-H"	-19.01839
"64147"	192.380857333333	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M-3H"	-3.021828
"505169"	289.074924	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M-3H"	-3.021828
"880094"	95.6867906666667	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-3H"	-3.021828
"937"	289.074924	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M-2H"	-2.014552
"440017"	434.116024	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M-2H"	-2.014552
"817931"	144.033824	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-2H"	-2.014552
"78697"	579.157124	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M-H"	-1.007276
"525016"	869.239324	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M-H"	-1.007276
"896499"	289.074924	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-H"	-1.007276
"47500"	596.183671	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M-2H+NH4"	16.019271
"487285"	886.265871	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M-2H+NH4"	16.019271
"873466"	306.101471	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-2H+NH4"	16.019271
"39180"	601.139066	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M-2H+Na"	20.974666
"479834"	891.221266	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M-2H+Na"	20.974666
"858728"	311.056866	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-2H+Na"	20.974666
"1619516"	311.056866	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Na-2H"	20.974666
"95681"	307.063263	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M-H+Cl"	33.962126
"537791"	452.104363	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M-H+Cl"	33.962126
"934594"	162.022163	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-H+Cl"	33.962126
"279349"	615.133802	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+Cl"	34.969402
"673597"	905.216002	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+Cl"	34.969402
"1287339"	325.051602	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Cl"	34.969402
"30381"	617.113006	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M-2H+K"	36.948606
"462284"	907.195206	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M-2H+K"	36.948606
"837898"	327.030806	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-2H+K"	36.948606
"1559201"	327.030806	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+K-2H"	36.948606
"948176"	335.080394	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-H+HCOOH"	44.998194
"365297"	625.162601	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+HCOOH-H"	44.998201
"350275"	639.178251	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+Hac-H"	59.013851
"1498013"	349.096051	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Hac-H"	59.013851
"965554"	357.062351	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-H+NaCOOH"	66.980151
"115556"	325.051602	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+2Cl"	69.938804
"557302"	470.092702	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+2Cl"	69.938804
"1023913"	180.010502	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2Cl"	69.938804
"1244586"	369.001085	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Br"	78.918885
"1307032"	371.057072	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Cl+HCOOH"	80.974872
"1321249"	393.039029	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Cl+NaCOOH"	102.956829
"913403"	403.067786	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M-H+CF3COOH"	112.985586
"1290114"	439.044464	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Cl+CF3COOH"	148.962264
"1368639"	255.069524	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H-2H2O"	-35.012676
"1385774"	273.0795	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H-H2O"	-17.0027
"287647"	581.171676	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+H"	1.007276
"680069"	871.253876	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+H"	1.007276
"1353137"	291.089476	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H"	1.007276
"126753"	291.089476	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+2H"	2.014552
"566193"	436.130576	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+2H"	2.014552
"1037498"	146.048376	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2H"	2.014552
"204425"	194.395409333333	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+3H"	3.021828
"649507"	291.089476	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+3H"	3.021828
"1164351"	97.7013426666667	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+3H"	3.021828
"424382"	598.198223	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+NH4"	18.033823
"789350"	888.280423	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+NH4"	18.033823
"1688236"	308.116023	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+NH4"	18.033823
"342715"	299.6027495	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+H+NH4"	19.041099
"732220"	444.6438495	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+H+NH4"	19.041099
"1487134"	154.5616495	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H+NH4"	19.041099
"402535"	603.153618	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+Na"	22.989218
"760249"	893.235818	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+Na"	22.989218
"1609439"	313.071418	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Na"	22.989218
"328227"	302.080447	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+H+Na"	23.996494
"715182"	447.121547	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+H+Na"	23.996494
"1471191"	157.039347	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H+Na"	23.996494
"1063344"	105.028656666667	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2H+Na"	25.00377
"1261742"	323.115686	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+CH3OH+H"	33.033486
"385782"	619.127558	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+K"	38.963158
"744588"	909.209758	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+K"	38.963158
"1544456"	329.045358	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+K"	38.963158
"302727"	310.067417	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+H+K"	39.970434
"692229"	455.108517	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+H+K"	39.970434
"1450062"	165.026317	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H+K"	39.970434
"237935"	622.198226	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+ACN+H"	42.033826
"1214656"	332.116026	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+ACN+H"	42.033826
"1199267"	166.561651	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+ACN+2H"	43.041102
"190314"	625.13556	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+2Na-H"	44.97116
"633520"	915.21776	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+2Na-H"	44.97116
"1133746"	335.05336	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2Na-H"	44.97116
"179223"	313.071418	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+2Na"	45.978436
"619511"	458.112518	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+2Na"	45.978436
"1116453"	168.030318	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2Na"	45.978436
"1403260"	112.355970666667	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H+2Na"	46.985712
"1434649"	337.094946	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H+HCOOH"	47.012746
"228354"	318.10444	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+3H2O+2H"	56.04448
"1517510"	351.14699	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+IsoProp+H"	61.06479
"417199"	321.058388	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+Na+K"	61.952376
"779287"	466.099488	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+Na+K"	61.952376
"1671246"	176.017288	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Na+K"	61.952376
"257766"	644.180168	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+ACN+Na"	64.015768
"1229382"	354.097968	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+ACN+Na"	64.015768
"1714262"	354.121493	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+NH4+HCOOH"	64.039293
"1183262"	119.683284666667	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+3Na"	68.967654
"1660086"	359.076888	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Na+HCOOH"	68.994688
"166946"	657.08344	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+2K-H"	76.91904
"608331"	947.16564	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+2K-H"	76.91904
"1094301"	367.00124	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2K-H"	76.91904
"144556"	329.045358	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"2M+2K"	77.926316
"586305"	474.086458	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"3M+2K"	77.926316
"1076287"	184.004258	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2K"	77.926316
"1109497"	369.015792	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2K+H"	78.933592
"1339321"	369.103407	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+DMSO+H"	79.021207
"1016599"	373.142576	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2ACN+H"	83.060376
"1532537"	374.136208	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+IsoProp+Na+H"	84.054008
"1003361"	187.074926	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+2ACN+2H"	84.067652
"1601874"	375.050828	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+K+HCOOH"	84.968628
"1428269"	405.082338	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+H+CF3COOH"	115.000138
"1160744"	207.588201	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+3ACN+2H"	125.094202
"1711748"	422.108885	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+NH4+CF3COOH"	132.026685
"1640108"	427.06428	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+Na+CF3COOH"	136.98208
"1574667"	443.03822	"C19075"	"Chloroxuron"	"C15H15ClN2O2"	"290.0822"	"M+K+CF3COOH"	152.95602
"812692"	286.1317	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M"	0
"984036"	267.11331	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-H2O-H"	-19.01839
"63404"	189.747190666667	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M-3H"	-3.021828
"503252"	285.124424	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M-3H"	-3.021828
"883081"	94.3699573333333	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-3H"	-3.021828
"4936"	285.124424	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M-2H"	-2.014552
"444496"	428.190274	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M-2H"	-2.014552
"819381"	142.058574	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-2H"	-2.014552
"81559"	571.256124	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M-H"	-1.007276
"520266"	857.387824	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M-H"	-1.007276
"902928"	285.124424	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-H"	-1.007276
"47693"	588.282671	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M-2H+NH4"	16.019271
"489574"	874.414371	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M-2H+NH4"	16.019271
"868108"	302.150971	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-2H+NH4"	16.019271
"40383"	593.238066	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M-2H+Na"	20.974666
"478851"	879.369766	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M-2H+Na"	20.974666
"858837"	307.106366	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-2H+Na"	20.974666
"1620718"	307.106366	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Na-2H"	20.974666
"97249"	303.112763	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M-H+Cl"	33.962126
"540087"	446.178613	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M-H+Cl"	33.962126
"932515"	160.046913	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-H+Cl"	33.962126
"272164"	607.232802	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+Cl"	34.969402
"664593"	893.364502	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+Cl"	34.969402
"1280277"	321.101102	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Cl"	34.969402
"27209"	609.212006	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M-2H+K"	36.948606
"460206"	895.343706	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M-2H+K"	36.948606
"836915"	323.080306	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-2H+K"	36.948606
"1558581"	323.080306	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+K-2H"	36.948606
"946098"	331.129894	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-H+HCOOH"	44.998194
"364314"	617.261601	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+HCOOH-H"	44.998201
"348564"	631.277251	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+Hac-H"	59.013851
"1497030"	345.145551	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Hac-H"	59.013851
"960195"	353.111851	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-H+NaCOOH"	66.980151
"112386"	321.101102	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+2Cl"	69.938804
"555226"	464.166952	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+2Cl"	69.938804
"1024026"	178.035252	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2Cl"	69.938804
"1245423"	365.050585	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Br"	78.918885
"1306049"	367.106572	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Cl+HCOOH"	80.974872
"1320996"	389.088529	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Cl+NaCOOH"	102.956829
"913510"	399.117286	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M-H+CF3COOH"	112.985586
"1289495"	435.093964	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Cl+CF3COOH"	148.962264
"1367413"	251.119024	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H-2H2O"	-35.012676
"1386977"	269.129	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H-H2O"	-17.0027
"293226"	573.270676	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+H"	1.007276
"677992"	859.402376	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+H"	1.007276
"1352275"	287.138976	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H"	1.007276
"128322"	287.138976	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+2H"	2.014552
"567031"	430.204826	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+2H"	2.014552
"1038866"	144.073126	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2H"	2.014552
"204319"	191.761742666667	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+3H"	3.021828
"647794"	287.138976	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+3H"	3.021828
"1164825"	96.3845093333334	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+3H"	3.021828
"424484"	590.297223	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+NH4"	18.033823
"793107"	876.428923	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+NH4"	18.033823
"1687617"	304.165523	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+NH4"	18.033823
"341002"	295.6522495	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+H+NH4"	19.041099
"732330"	438.7180995	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+H+NH4"	19.041099
"1485058"	152.5863995	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H+NH4"	19.041099
"402644"	595.252618	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+Na"	22.989218
"759266"	881.384318	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+Na"	22.989218
"1608456"	309.120918	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Na"	22.989218
"325058"	298.129947	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+H+Na"	23.996494
"715292"	441.195797	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+H+Na"	23.996494
"1469115"	155.064097	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H+Na"	23.996494
"1060174"	103.711823333333	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2H+Na"	25.00377
"1268414"	319.165186	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+CH3OH+H"	33.033486
"386986"	611.226558	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+K"	38.963158
"741781"	897.358258	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+K"	38.963158
"1541281"	325.094858	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+K"	38.963158
"305024"	306.116917	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+H+K"	39.970434
"692339"	449.182767	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+H+K"	39.970434
"1449079"	163.051067	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H+K"	39.970434
"238045"	614.297226	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+ACN+H"	42.033826
"1218049"	328.165526	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+ACN+H"	42.033826
"1198286"	164.586401	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+ACN+2H"	43.041102
"194801"	617.23456	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+2Na-H"	44.97116
"636549"	903.36626	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+2Na-H"	44.97116
"1137136"	331.10286	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2Na-H"	44.97116
"184076"	309.120918	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+2Na"	45.978436
"617435"	452.186768	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+2Na"	45.978436
"1122399"	166.055068	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2Na"	45.978436
"1403371"	111.039137333333	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H+2Na"	46.985712
"1437675"	333.144446	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H+HCOOH"	47.012746
"230289"	314.15394	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+3H2O+2H"	56.04448
"1520900"	347.19649	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+IsoProp+H"	61.06479
"417309"	317.107888	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+Na+K"	61.952376
"783772"	460.173738	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+Na+K"	61.952376
"1673543"	174.042038	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Na+K"	61.952376
"257876"	636.279168	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+ACN+Na"	64.015768
"1232772"	350.147468	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+ACN+Na"	64.015768
"1715100"	350.170993	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+NH4+HCOOH"	64.039293
"1180456"	118.366451333333	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+3Na"	68.967654
"1649976"	355.126388	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Na+HCOOH"	68.994688
"161221"	649.18244	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+2K-H"	76.91904
"601146"	935.31414	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+2K-H"	76.91904
"1091130"	363.05074	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2K-H"	76.91904
"143208"	325.094858	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"2M+2K"	77.926316
"581754"	468.160708	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"3M+2K"	77.926316
"1073117"	182.029008	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2K"	77.926316
"1109607"	365.065292	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2K+H"	78.933592
"1342712"	365.152907	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+DMSO+H"	79.021207
"1016710"	369.192076	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2ACN+H"	83.060376
"1532648"	370.185708	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+IsoProp+Na+H"	84.054008
"1003471"	185.099676	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+2ACN+2H"	84.067652
"1602106"	371.100328	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+K+HCOOH"	84.968628
"1429107"	401.131838	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+H+CF3COOH"	115.000138
"1162675"	205.612951	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+3ACN+2H"	125.094202
"1711494"	418.158385	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+NH4+CF3COOH"	132.026685
"1643500"	423.11378	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+Na+CF3COOH"	136.98208
"1574777"	439.08772	"C19076"	"Difenoxuron"	"C16H18N2O3"	"286.1317"	"M+K+CF3COOH"	152.95602
"810610"	325.9992	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M"	0
"987426"	306.98081	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-H2O-H"	-19.01839
"66191"	216.325524	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M-3H"	-3.021828
"505389"	324.991924	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M-3H"	-3.021828
"883191"	107.659124	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-3H"	-3.021828
"5046"	324.991924	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M-2H"	-2.014552
"444606"	487.991524	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M-2H"	-2.014552
"818761"	161.992324	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-2H"	-2.014552
"82033"	650.991124	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M-H"	-1.007276
"520863"	976.990324	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M-H"	-1.007276
"901945"	324.991924	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-H"	-1.007276
"47679"	668.017671	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M-2H+NH4"	16.019271
"489320"	994.016871	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M-2H+NH4"	16.019271
"871498"	342.018471	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-2H+NH4"	16.019271
"42680"	672.973066	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M-2H+Na"	20.974666
"480054"	998.972266	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M-2H+Na"	20.974666
"858947"	346.973866	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-2H+Na"	20.974666
"1625203"	346.973866	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Na-2H"	20.974666
"97359"	342.980263	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M-H+Cl"	33.962126
"538013"	505.979863	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M-H+Cl"	33.962126
"933719"	179.980663	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-H+Cl"	33.962126
"272276"	686.967802	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+Cl"	34.969402
"665797"	1012.967002	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+Cl"	34.969402
"1284761"	360.968602	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Cl"	34.969402
"27319"	688.947006	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M-2H+K"	36.948606
"462503"	1014.946206	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M-2H+K"	36.948606
"841399"	362.947806	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-2H+K"	36.948606
"1560513"	362.947806	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+K-2H"	36.948606
"947303"	370.997394	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-H+HCOOH"	44.998194
"368797"	696.996601	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+HCOOH-H"	44.998201
"349401"	711.012251	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+Hac-H"	59.013851
"1494951"	385.013051	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Hac-H"	59.013851
"962493"	392.979351	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-H+NaCOOH"	66.980151
"112495"	360.968602	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+2Cl"	69.938804
"553875"	523.968202	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+2Cl"	69.938804
"1024862"	197.969002	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2Cl"	69.938804
"1245533"	404.918085	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Br"	78.918885
"1305431"	406.974072	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Cl+HCOOH"	80.974872
"1322199"	428.956029	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Cl+NaCOOH"	102.956829
"915442"	438.984786	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M-H+CF3COOH"	112.985586
"1292520"	474.961464	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Cl+CF3COOH"	148.962264
"1369223"	290.986524	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H-2H2O"	-35.012676
"1385994"	308.9965	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H-H2O"	-17.0027
"287868"	653.005676	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+H"	1.007276
"677372"	979.004876	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+H"	1.007276
"1355544"	327.006476	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H"	1.007276
"127338"	327.006476	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+2H"	2.014552
"566899"	490.006076	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+2H"	2.014552
"1040069"	164.006876	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2H"	2.014552
"204270"	218.340076	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+3H"	3.021828
"647175"	327.006476	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+3H"	3.021828
"1166028"	109.673676	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+3H"	3.021828
"425165"	670.032223	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+NH4"	18.033823
"793217"	996.031423	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+NH4"	18.033823
"1691735"	344.033023	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+NH4"	18.033823
"336738"	335.5197495	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+H+NH4"	19.041099
"732440"	498.5193495	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+H+NH4"	19.041099
"1485168"	172.5201495	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H+NH4"	19.041099
"399474"	674.987618	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+Na"	22.989218
"763749"	1000.986818	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+Na"	22.989218
"1608566"	348.988418	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Na"	22.989218
"321886"	337.997447	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+H+Na"	23.996494
"715402"	500.997047	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+H+Na"	23.996494
"1471411"	174.997847	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H+Na"	23.996494
"1063563"	117.00099	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2H+Na"	25.00377
"1269256"	359.032686	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+CH3OH+H"	33.033486
"384909"	690.961558	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+K"	38.963158
"742985"	1016.960758	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+K"	38.963158
"1542485"	364.962358	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+K"	38.963158
"299421"	345.984417	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+H+K"	39.970434
"692815"	508.984017	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+H+K"	39.970434
"1448096"	182.984817	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H+K"	39.970434
"239249"	694.032226	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+ACN+H"	42.033826
"1218159"	368.033026	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+ACN+H"	42.033826
"1198032"	184.520151	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+ACN+2H"	43.041102
"197098"	696.96956	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+2Na-H"	44.97116
"636659"	1022.96876	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+2Na-H"	44.97116
"1137246"	370.97036	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2Na-H"	44.97116
"184186"	348.988418	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+2Na"	45.978436
"617545"	511.988018	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+2Na"	45.978436
"1121417"	185.988818	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2Na"	45.978436
"1405669"	124.328304	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H+2Na"	46.985712
"1437785"	373.011946	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H+HCOOH"	47.012746
"232221"	354.02144	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+3H2O+2H"	56.04448
"1519918"	387.06399	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+IsoProp+H"	61.06479
"418148"	356.975388	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+Na+K"	61.952376
"784248"	519.974988	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+Na+K"	61.952376
"1670373"	193.975788	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Na+K"	61.952376
"257986"	716.014168	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+ACN+Na"	64.015768
"1230695"	390.014968	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+ACN+Na"	64.015768
"1715575"	390.038493	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+NH4+HCOOH"	64.039293
"1183482"	131.655618	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+3Na"	68.967654
"1650539"	394.993888	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Na+HCOOH"	68.994688
"161331"	728.91744	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+2K-H"	76.91904
"603808"	1054.91664	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+2K-H"	76.91904
"1091240"	402.91824	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2K-H"	76.91904
"142954"	364.962358	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"2M+2K"	77.926316
"586526"	527.961958	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"3M+2K"	77.926316
"1075414"	201.962758	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2K"	77.926316
"1113973"	404.932792	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2K+H"	78.933592
"1348289"	405.020407	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+DMSO+H"	79.021207
"1019737"	409.059576	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2ACN+H"	83.060376
"1536038"	410.053208	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+IsoProp+Na+H"	84.054008
"1003581"	205.033426	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+2ACN+2H"	84.067652
"1602094"	410.967828	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+K+HCOOH"	84.968628
"1428851"	440.999338	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+H+CF3COOH"	115.000138
"1162056"	225.546701	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+3ACN+2H"	125.094202
"1709052"	458.025885	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+NH4+CF3COOH"	132.026685
"1643610"	462.98128	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+Na+CF3COOH"	136.98208
"1574887"	478.95522	"C19077"	"Fenuron-TCA;Fenuron TCA"	"C9H13N2OC2Cl3O2"	"325.9992"	"M+K+CF3COOH"	152.95602
"811817"	184.1099	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M"	0
"976602"	165.09151	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"64477"	121.732657333333	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"505499"	183.102624	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"883301"	60.3626906666667	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"7343"	183.102624	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"441800"	275.157574	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"817899"	91.047674	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"80077"	367.212524	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"518658"	551.322424	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"900232"	183.102624	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"48159"	384.239071	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"491618"	568.348971	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"870515"	200.129171	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"39510"	389.194466	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"477977"	573.304366	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"851407"	205.084566	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1625314"	205.084566	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"96376"	201.090963	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"538124"	293.145913	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"930549"	109.036013	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"270198"	403.189202	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"664813"	587.299102	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1277219"	219.079302	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"20867"	405.168406	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"458240"	589.278306	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"838229"	221.058506	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1563905"	221.058506	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"945226"	229.108094	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"364535"	413.218001	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"346353"	427.233651	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1494092"	243.123751	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"959568"	251.090051	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"112607"	219.079302	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"556534"	311.134252	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1026428"	127.024352	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1248191"	263.028785	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1309183"	265.084772	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1326313"	287.066729	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"912644"	297.095486	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1289592"	333.072164	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1367515"	149.097224	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1386104"	167.1072	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"289074"	369.227076	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"679306"	553.336976	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1356749"	185.117176	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"128542"	185.117176	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"566640"	277.172126	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1037237"	93.062226	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"205169"	123.747209333333	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"648014"	185.117176	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1164683"	62.3772426666667	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"425767"	386.253623	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"793327"	570.363523	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1690752"	202.143723	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"336848"	193.6304495	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"732551"	285.6853995	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1483090"	101.5754995	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"399584"	391.209018	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"761671"	575.318918	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1608676"	207.099118	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"321996"	196.108147	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"712232"	288.163097	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1472615"	104.053197	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1063673"	69.7045566666667	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1269728"	217.143386	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"388299"	407.182958	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"747108"	591.292858	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1540893"	223.073058	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"300136"	204.095117	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"692193"	296.150067	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1448206"	112.040167	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"240090"	410.253626	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1218269"	226.143726	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1198871"	113.575501	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"197208"	413.19096	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"633122"	597.30086	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1140275"	229.08106	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"183202"	207.099118	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"618748"	299.154068	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1121527"	115.044168	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1409059"	77.0318706666667	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1441176"	231.122646	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"228684"	212.13214	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1521123"	245.17469	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"419352"	215.086088	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"782535"	307.141038	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1677046"	123.031138	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"259191"	432.235568	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1234085"	248.125668	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1716778"	248.149193	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1183592"	84.3591846666667	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1650569"	253.104588	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"157552"	445.13884	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"603918"	629.24874	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1088069"	261.02894	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"145980"	223.073058	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"585540"	315.128008	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1077711"	131.018108	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1112015"	263.043492	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1349983"	263.131107	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1019607"	267.170276	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1538214"	268.163908	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"1004544"	134.088776	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1601354"	269.078528	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1429772"	299.110038	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1161074"	154.602051	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1711350"	316.136585	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1641532"	321.09198	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1584840"	337.06592	"C19079"	"(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"808647"	152.1201	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M"	0
"975617"	133.10171	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"66048"	100.406124	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"512170"	151.112824	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"883411"	49.699424	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"9640"	151.112824	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"444826"	227.172874	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"817764"	75.052774	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"88085"	303.232924	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"520354"	455.353024	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"899249"	151.112824	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"48635"	320.259471	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"492821"	472.379571	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"873907"	168.139371	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"39620"	325.214866	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"474809"	477.334966	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"855891"	173.094766	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1627612"	173.094766	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"98676"	169.101163	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"537142"	245.161213	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"930658"	93.041113	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"272498"	339.209602	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"664923"	491.329702	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1277329"	187.089502	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"19884"	341.188806	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"460538"	493.308906	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"838339"	189.068706	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1564015"	189.068706	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"949711"	197.118294	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"364645"	349.238401	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"347558"	363.254051	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1494081"	211.133951	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"959678"	219.100251	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"113811"	187.089502	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"553001"	263.149552	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1027631"	111.029452	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1249394"	231.038985	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1308200"	233.094972	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1321447"	255.076929	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"912754"	265.105686	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1290557"	301.082364	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1367864"	117.107424	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1386216"	135.1174	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"291371"	305.247476	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"679416"	457.367576	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1357952"	153.127376	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H"	1.007276
"126342"	153.127376	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"566021"	229.187426	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1038228"	77.067326	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"204382"	102.420676	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"647031"	153.127376	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1168073"	51.713976	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"425390"	322.274023	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"794532"	474.394123	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1689769"	170.153923	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"335862"	161.6406495	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"727555"	237.7006995	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1482104"	85.5805995	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"394220"	327.229418	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"755095"	479.349518	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1605503"	175.109318	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"315540"	164.118347	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"708207"	240.178397	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1462876"	88.058297	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1054420"	59.04129	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1257312"	185.153586	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"379655"	343.203358	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"738944"	495.323458	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1544890"	191.083258	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K"	38.963158
"300612"	172.105317	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"692300"	248.165367	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1450503"	96.045267	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"239107"	346.274026	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1214004"	194.153926	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1198980"	97.580601	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"196225"	349.21136	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"632868"	501.33146	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1140385"	197.09126	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"183312"	175.109318	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"616673"	251.169368	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1121273"	99.049268	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1405889"	66.368604	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1438006"	199.132846	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"229887"	180.14234	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1521233"	213.18489	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"420556"	183.096288	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"782647"	259.156338	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1674968"	107.036238	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"262581"	368.255968	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1238571"	216.135868	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1717616"	216.159393	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1184065"	73.695918	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1652502"	221.114788	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"160821"	381.15924	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"604757"	533.27934	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1088178"	229.03914	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"149369"	191.083258	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"586745"	267.143308	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1074538"	115.023208	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1112123"	231.053692	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1345228"	231.141307	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1019229"	235.180476	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1535169"	236.174108	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"1000525"	118.093876	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1592843"	237.088728	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1419595"	267.120238	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1152070"	138.607151	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1710368"	284.146785	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1646016"	289.10218	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1575108"	305.07612	"C19081"	"(4S)-Limonene-12-epoxide"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"805477"	170.1307	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M"	0
"976456"	151.11231	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"66522"	112.413190666667	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"512280"	169.123424	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"883519"	55.7029573333333	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"9750"	169.123424	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"444936"	254.188774	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"818362"	84.058074	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"79082"	339.254124	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"518680"	509.384824	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"897172"	169.123424	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"47896"	356.280671	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"490743"	526.411371	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"875840"	186.149971	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"43740"	361.236066	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"477106"	531.366766	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"854908"	191.105366	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1629545"	191.105366	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"98786"	187.111763	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"539439"	272.177113	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"929675"	102.046413	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"271514"	375.230802	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"663208"	545.361502	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1278531"	205.100102	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"21085"	377.210006	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"461741"	547.340706	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"840635"	207.079306	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1560843"	207.079306	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"946538"	215.128894	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"369126"	385.259601	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"348636"	399.275251	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1493094"	229.144551	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"959910"	237.110851	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"113921"	205.100102	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"551288"	290.165452	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1024825"	120.034752	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1247317"	249.049585	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1310130"	251.105572	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1320465"	273.087529	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"913957"	283.116286	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1290666"	319.092964	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1369556"	135.118024	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1386326"	153.128	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"292574"	341.268676	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"679526"	511.399376	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1359155"	171.137976	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"126333"	171.137976	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"566130"	256.203326	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1037483"	86.072626	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"204452"	114.427742666667	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"644501"	171.137976	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1163197"	57.7175093333333	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"425986"	358.295223	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"791361"	528.425923	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1686598"	188.164523	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"335971"	179.6512495	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"726572"	264.7165995	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1483308"	94.5858995	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"393723"	363.250618	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"755327"	533.381318	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1605613"	193.119918	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"316745"	182.128947	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"709169"	267.194297	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1462622"	97.063597	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1055137"	65.0448233333333	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1257911"	203.164186	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"377943"	379.224558	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"739179"	549.355258	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1546093"	209.093858	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"299255"	190.115917	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"693135"	275.181267	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1446954"	105.050567	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"240308"	382.295226	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1216298"	212.164526	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1201275"	106.585901	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"193052"	385.23256	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"631881"	555.36326	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1140495"	215.10186	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"178317"	193.119918	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"619333"	278.185268	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1121383"	108.054568	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1404906"	72.3721373333333	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1440303"	217.143446	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"231090"	198.15294	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1522072"	231.19549	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"418478"	201.106888	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"780933"	286.172238	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1675079"	116.041538	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"264878"	404.277168	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1240502"	234.146468	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1725380"	234.169993	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1193571"	79.6994513333333	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1650463"	239.125388	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"158256"	417.18044	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"604867"	587.31114	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1092662"	247.04974	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"147292"	209.093858	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"590133"	294.159208	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1071367"	124.028508	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1106764"	249.064292	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1336217"	249.151907	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1007303"	253.191076	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1535275"	254.184708	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"1000632"	127.099176	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1596233"	255.099328	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1419705"	285.130838	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1152180"	147.612451	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1709385"	302.157385	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1646126"	307.11278	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1575218"	323.08672	"C19082"	"(1R2R4S)-Limonene-12-diol;(1R2R4S)-Menth-8-ene-12-diol"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"805587"	168.115	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M"	0
"974294"	149.09661	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"65175"	111.069390666667	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"512390"	167.107724	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"880957"	55.0310573333333	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"9860"	167.107724	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"445046"	251.165224	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"818473"	83.050224	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"79921"	335.222724	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"519113"	503.337724	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"899105"	167.107724	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"47260"	352.249271	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"489760"	520.364271	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"873399"	184.134271	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"41299"	357.204666	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"475029"	525.319666	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"853925"	189.089666	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1627832"	189.089666	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"98896"	185.096063	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"539548"	269.153563	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"928692"	101.038563	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"271624"	371.199402	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"662954"	539.314402	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1279734"	203.084402	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"21195"	373.178606	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"461849"	541.293606	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"837465"	205.063606	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1559860"	205.063606	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"947741"	213.113194	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"369236"	381.228201	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"346924"	395.243851	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1492797"	227.128851	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"959656"	235.095151	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"110749"	203.084402	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"551398"	287.141902	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1024572"	119.026902	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1250707"	247.033885	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1310241"	249.089872	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1320450"	271.071829	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"913338"	281.100586	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1292233"	317.077264	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1368573"	133.102324	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1386436"	151.1123	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"292684"	337.237276	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"681824"	505.352276	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1355985"	169.122276	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H"	1.007276
"125907"	169.122276	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"566239"	253.179776	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1037709"	85.064776	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"204436"	113.083942666667	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"644446"	169.122276	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1163057"	57.0456093333333	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"425003"	354.263823	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"790741"	522.378823	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1687801"	186.148823	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"333894"	177.6355495	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"726318"	261.6930495	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1482324"	93.5780495	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"393350"	359.219218	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"754242"	527.334218	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1605723"	191.104218	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"316855"	180.113247	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"710372"	264.170747	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1463825"	96.055747	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1054154"	64.3729233333333	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1258750"	201.148486	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"378054"	375.193158	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"739048"	543.308158	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1549483"	207.078158	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+K"	38.963158
"299363"	188.100217	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"693612"	272.157717	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1447433"	104.042717	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"236028"	378.263826	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1210573"	210.148826	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1194937"	105.578051	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"193162"	381.20116	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"630170"	549.31616	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1133678"	213.08616	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"178427"	191.104218	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"614702"	275.161718	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1119304"	107.046718	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1408297"	71.7002373333333	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1440413"	215.127746	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"232295"	196.13724	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1520723"	229.17979	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"416765"	199.091188	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"779948"	283.148688	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1674095"	115.033688	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"259521"	400.245768	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1237698"	232.130768	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1718930"	232.154293	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1187564"	79.0275513333333	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1650291"	237.109688	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"158489"	413.14904	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"603884"	581.26404	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1092408"	245.03404	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"148496"	207.078158	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"590243"	291.135658	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1074758"	123.020658	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1106874"	247.048592	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1342166"	247.136207	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1010695"	251.175376	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1532103"	252.169008	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"999648"	126.091326	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1591967"	253.083628	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1423092"	283.115138	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1157756"	146.604601	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1711679"	300.141685	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1646236"	305.09708	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1575328"	321.07102	"C19083"	"(1R4S)-1-Hydroxy-2-oxolimonene"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"805697"	184.1099	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M"	0
"979229"	165.09151	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"67471"	121.732657333333	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"509220"	183.102624	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"887021"	60.3626906666667	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"11063"	183.102624	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"450989"	275.157574	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"826238"	91.047674	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"88416"	367.212524	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"530164"	551.322424	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"909428"	183.102624	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"59061"	384.239071	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"500688"	568.348971	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"876060"	200.129171	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"45543"	389.194466	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"482794"	573.304366	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"859502"	205.084566	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1632316"	205.084566	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"104471"	201.090963	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"548043"	293.145913	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"933175"	109.036013	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"270641"	403.189202	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"662697"	587.299102	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1276565"	219.079302	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"17297"	405.168406	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"458680"	589.278306	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"835389"	221.058506	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1559970"	221.058506	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"947852"	229.108094	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"366065"	413.218001	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"348856"	427.233651	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1498781"	243.123751	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"961949"	251.090051	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"116322"	219.079302	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"552967"	311.134252	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1023590"	127.024352	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1245354"	263.028785	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1307802"	265.084772	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1323119"	287.066729	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"922927"	297.095486	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1294168"	333.072164	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1376703"	149.097224	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1397850"	167.1072	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"296079"	369.227076	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"688498"	553.336976	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1360471"	185.117176	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"129713"	185.117176	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"567812"	277.172126	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1038437"	93.062226	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"206336"	123.747209333333	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"646263"	185.117176	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1171686"	62.3772426666667	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"434959"	386.253623	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"795957"	570.363523	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1692290"	202.143723	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"338379"	193.6304495	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"726429"	285.6853995	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1483529"	101.5754995	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"396743"	391.209018	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"762111"	575.318918	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1613492"	207.099118	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"320245"	196.108147	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"719232"	288.163097	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1470866"	104.053197	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1063017"	69.7045566666667	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1264696"	217.143386	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"383271"	407.182958	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"742076"	591.292858	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1551780"	223.073058	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"303490"	204.095117	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"691739"	296.150067	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1453011"	112.040167	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"237968"	410.253626	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1210798"	226.143726	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1194672"	113.575501	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"189040"	413.19096	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"631006"	597.30086	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1134881"	229.08106	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"176347"	207.099118	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"615907"	299.154068	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1119414"	115.044168	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1398841"	77.0318706666667	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1441616"	231.122646	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"228030"	212.13214	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1522656"	245.17469	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"421616"	215.086088	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"782614"	307.141038	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1674204"	123.031138	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"261818"	432.235568	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1236350"	248.125668	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1719041"	248.149193	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1186581"	84.3591846666667	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1652827"	253.104588	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"158962"	445.13884	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"597505"	629.24874	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1085711"	261.02894	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"143137"	223.073058	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"589261"	315.128008	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1072682"	131.018108	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1106985"	263.043492	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1346287"	263.131107	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1008982"	267.170276	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1526745"	268.163908	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"999758"	134.088776	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1590255"	269.078528	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1416279"	299.110038	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1148752"	154.602051	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1710697"	316.136585	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1646345"	321.09198	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1575438"	337.06592	"C19084"	"(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"809086"	194.0878	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M"	0
"985903"	175.06941	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-H2O-H"	-19.01839
"76940"	128.384590666667	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M-3H"	-3.021828
"517351"	193.080524	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M-3H"	-3.021828
"890413"	63.6886573333333	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-3H"	-3.021828
"14825"	193.080524	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M-2H"	-2.014552
"446360"	290.124424	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M-2H"	-2.014552
"826348"	96.036624	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-2H"	-2.014552
"92535"	387.168324	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M-H"	-1.007276
"530637"	581.256124	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M-H"	-1.007276
"906982"	193.080524	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-H"	-1.007276
"61360"	404.194871	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M-2H+NH4"	16.019271
"500189"	598.282671	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M-2H+NH4"	16.019271
"877263"	210.107071	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-2H+NH4"	16.019271
"44435"	409.150266	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M-2H+Na"	20.974666
"485699"	603.238066	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M-2H+Na"	20.974666
"861800"	215.062466	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-2H+Na"	20.974666
"1626961"	215.062466	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Na-2H"	20.974666
"99117"	211.068863	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M-H+Cl"	33.962126
"540866"	308.112763	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M-H+Cl"	33.962126
"934380"	114.024963	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-H+Cl"	33.962126
"274031"	423.145002	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+Cl"	34.969402
"661352"	617.232802	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+Cl"	34.969402
"1276674"	229.057202	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Cl"	34.969402
"20326"	425.124206	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M-2H+K"	36.948606
"464260"	619.212006	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M-2H+K"	36.948606
"838781"	231.036406	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-2H+K"	36.948606
"1556799"	231.036406	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+K-2H"	36.948606
"942934"	239.085994	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-H+HCOOH"	44.998194
"361884"	433.173801	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+HCOOH-H"	44.998201
"345872"	447.189451	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+Hac-H"	59.013851
"1492853"	253.101651	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Hac-H"	59.013851
"958945"	261.067951	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-H+NaCOOH"	66.980151
"110604"	229.057202	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+2Cl"	69.938804
"550407"	326.101102	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+2Cl"	69.938804
"1021998"	132.013302	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2Cl"	69.938804
"1243643"	273.006685	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Br"	78.918885
"1306823"	275.062672	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Cl+HCOOH"	80.974872
"1323953"	297.044629	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Cl+NaCOOH"	102.956829
"925471"	307.073386	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M-H+CF3COOH"	112.985586
"1300481"	343.050064	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Cl+CF3COOH"	148.962264
"1380343"	159.075124	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H-2H2O"	-35.012676
"1389939"	177.0851	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H-H2O"	-17.0027
"292907"	389.182876	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+H"	1.007276
"677794"	583.270676	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+H"	1.007276
"1354023"	195.095076	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H"	1.007276
"127272"	195.095076	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+2H"	2.014552
"568289"	292.138976	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+2H"	2.014552
"1039278"	98.051176	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2H"	2.014552
"205722"	130.399142666667	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+3H"	3.021828
"646012"	195.095076	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+3H"	3.021828
"1173623"	65.7032093333333	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+3H"	3.021828
"437991"	406.209423	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+NH4"	18.033823
"794976"	600.297223	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+NH4"	18.033823
"1693494"	212.121623	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+NH4"	18.033823
"338492"	203.6083495	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+H+NH4"	19.041099
"729820"	300.6522495	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+H+NH4"	19.041099
"1484734"	106.5644495	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H+NH4"	19.041099
"402321"	411.164818	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+Na"	22.989218
"761128"	605.252618	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+Na"	22.989218
"1605219"	217.077018	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Na"	22.989218
"320361"	206.086047	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+H+Na"	23.996494
"716062"	303.129947	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+H+Na"	23.996494
"1468789"	109.042147	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H+Na"	23.996494
"1059847"	73.0305233333333	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2H+Na"	25.00377
"1260432"	227.121286	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+CH3OH+H"	33.033486
"383382"	427.138758	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+K"	38.963158
"739878"	621.226558	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+K"	38.963158
"1544239"	233.050958	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+K"	38.963158
"300685"	214.073017	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+H+K"	39.970434
"691768"	311.116917	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+H+K"	39.970434
"1446198"	117.029117	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H+K"	39.970434
"237476"	430.209426	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+ACN+H"	42.033826
"1211643"	236.121626	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+ACN+H"	42.033826
"1196253"	118.564451	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+ACN+2H"	43.041102
"193381"	433.14676	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+2Na-H"	44.97116
"632213"	627.23456	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+2Na-H"	44.97116
"1133528"	239.05896	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2Na-H"	44.97116
"179740"	217.077018	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+2Na"	45.978436
"615287"	314.120918	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+2Na"	45.978436
"1118794"	120.033118	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2Na"	45.978436
"1408516"	80.3578373333333	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H+2Na"	46.985712
"1438445"	241.100546	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H+HCOOH"	47.012746
"231424"	222.11004	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+3H2O+2H"	56.04448
"1522041"	255.15259	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+IsoProp+H"	61.06479
"419543"	225.063988	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+Na+K"	61.952376
"780170"	322.107888	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+Na+K"	61.952376
"1673221"	128.020088	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Na+K"	61.952376
"259743"	452.191368	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+ACN+Na"	64.015768
"1233544"	258.103568	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+ACN+Na"	64.015768
"1724621"	258.127093	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+NH4+HCOOH"	64.039293
"1185601"	87.6851513333333	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+3Na"	68.967654
"1655492"	263.082488	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Na+HCOOH"	68.994688
"159436"	465.09464	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+2K-H"	76.91904
"601919"	659.18244	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+2K-H"	76.91904
"1090806"	271.00684	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2K-H"	76.91904
"154553"	233.050958	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"2M+2K"	77.926316
"594478"	330.094858	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"3M+2K"	77.926316
"1078260"	136.007058	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2K"	77.926316
"1113903"	273.021392	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2K+H"	78.933592
"1347492"	273.109007	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+DMSO+H"	79.021207
"1017479"	277.148176	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2ACN+H"	83.060376
"1537674"	278.141808	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+IsoProp+Na+H"	84.054008
"995493"	139.077726	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+2ACN+2H"	84.067652
"1597652"	279.056428	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+K+HCOOH"	84.968628
"1426592"	309.087938	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+H+CF3COOH"	115.000138
"1155788"	159.591001	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+3ACN+2H"	125.094202
"1709715"	326.114485	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+NH4+CF3COOH"	132.026685
"1648645"	331.06988	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+Na+CF3COOH"	136.98208
"1585392"	347.04382	"C19086"	"Methiuron"	"C10H14N2S"	"194.0878"	"M+K+CF3COOH"	152.95602
"805916"	198.056	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M"	0
"982730"	179.03761	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-H2O-H"	-19.01839
"68786"	131.030057333333	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M-3H"	-3.021828
"517096"	197.048724	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M-3H"	-3.021828
"890523"	65.0113906666667	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-3H"	-3.021828
"11285"	197.048724	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M-2H"	-2.014552
"446470"	296.076724	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M-2H"	-2.014552
"820990"	98.020724	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-2H"	-2.014552
"85355"	395.104724	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M-H"	-1.007276
"522728"	593.160724	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M-H"	-1.007276
"903811"	197.048724	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-H"	-1.007276
"57093"	412.131271	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M-2H+NH4"	16.019271
"493373"	610.187271	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M-2H+NH4"	16.019271
"877373"	214.075271	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-2H+NH4"	16.019271
"39077"	417.086666	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M-2H+Na"	20.974666
"484104"	615.142666	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M-2H+Na"	20.974666
"860818"	219.030666	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-2H+Na"	20.974666
"1628165"	219.030666	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Na-2H"	20.974666
"101415"	215.037063	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M-H+Cl"	33.962126
"544257"	314.065063	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M-H+Cl"	33.962126
"939957"	116.009063	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-H+Cl"	33.962126
"278514"	431.081402	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+Cl"	34.969402
"666565"	629.137402	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+Cl"	34.969402
"1276784"	233.025402	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Cl"	34.969402
"20436"	433.060606	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M-2H+K"	36.948606
"456350"	631.116606	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M-2H+K"	36.948606
"835611"	235.004606	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-2H+K"	36.948606
"1558002"	235.004606	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+K-2H"	36.948606
"945885"	243.054194	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-H+HCOOH"	44.998194
"366290"	441.110201	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+HCOOH-H"	44.998201
"347987"	455.125851	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+Hac-H"	59.013851
"1493293"	257.069851	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Hac-H"	59.013851
"962174"	265.036151	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-H+NaCOOH"	66.980151
"114361"	233.025402	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+2Cl"	69.938804
"552825"	332.053402	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+2Cl"	69.938804
"1023810"	133.997402	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2Cl"	69.938804
"1243753"	276.974885	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Br"	78.918885
"1306933"	279.030872	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Cl+HCOOH"	80.974872
"1322242"	301.012829	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Cl+NaCOOH"	102.956829
"924974"	311.041586	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M-H+CF3COOH"	112.985586
"1300954"	347.018264	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Cl+CF3COOH"	148.962264
"1379116"	163.043324	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H-2H2O"	-35.012676
"1390049"	181.0533	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H-H2O"	-17.0027
"290830"	397.119276	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+H"	1.007276
"686530"	595.175276	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+H"	1.007276
"1355227"	199.063276	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H"	1.007276
"130302"	199.063276	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+2H"	2.014552
"567670"	298.091276	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+2H"	2.014552
"1038657"	100.035276	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2H"	2.014552
"207648"	133.044609333333	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+3H"	3.021828
"647216"	199.063276	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+3H"	3.021828
"1173003"	67.0259426666667	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+3H"	3.021828
"439073"	414.145823	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+NH4"	18.033823
"795086"	612.201823	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+NH4"	18.033823
"1696278"	216.089823	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+NH4"	18.033823
"339695"	207.5765495	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+H+NH4"	19.041099
"729930"	306.6045495	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+H+NH4"	19.041099
"1482657"	108.5485495	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H+NH4"	19.041099
"403524"	419.101218	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+Na"	22.989218
"757957"	617.157218	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+Na"	22.989218
"1607152"	221.045218	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Na"	22.989218
"321563"	210.054247	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+H+Na"	23.996494
"715078"	309.082247	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+H+Na"	23.996494
"1469992"	111.026247	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H+Na"	23.996494
"1058862"	74.3532566666667	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2H+Na"	25.00377
"1261635"	231.089486	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+CH3OH+H"	33.033486
"387865"	435.075158	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+K"	38.963158
"743393"	633.131158	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+K"	38.963158
"1546535"	237.019158	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+K"	38.963158
"303712"	218.041217	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+H+K"	39.970434
"695039"	317.069217	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+H+K"	39.970434
"1447768"	119.013217	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H+K"	39.970434
"239654"	438.145826	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+ACN+H"	42.033826
"1213457"	240.089826	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+ACN+H"	42.033826
"1195148"	120.548551	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+ACN+2H"	43.041102
"189842"	441.08316	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+2Na-H"	44.97116
"629280"	639.13916	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+2Na-H"	44.97116
"1133638"	243.02716	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2Na-H"	44.97116
"177659"	221.045218	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+2Na"	45.978436
"617224"	320.073218	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+2Na"	45.978436
"1120361"	122.017218	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2Na"	45.978436
"1401697"	81.6805706666667	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H+2Na"	46.985712
"1433089"	245.068746	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H+HCOOH"	47.012746
"232628"	226.07824	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+3H2O+2H"	56.04448
"1523370"	259.12079	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+IsoProp+H"	61.06479
"420380"	229.032188	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+Na+K"	61.952376
"780281"	328.060188	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+Na+K"	61.952376
"1674426"	130.004188	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Na+K"	61.952376
"259852"	460.127768	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+ACN+Na"	64.015768
"1233656"	262.071768	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+ACN+Na"	64.015768
"1723634"	262.095293	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+NH4+HCOOH"	64.039293
"1186804"	89.0078846666667	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+3Na"	68.967654
"1655602"	267.050688	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Na+HCOOH"	68.994688
"164650"	473.03104	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+2K-H"	76.91904
"602029"	671.08704	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+2K-H"	76.91904
"1093832"	274.97504	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2K-H"	76.91904
"155514"	237.019158	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"2M+2K"	77.926316
"595075"	336.047158	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"3M+2K"	77.926316
"1078370"	137.991158	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2K"	77.926316
"1112312"	276.989592	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2K+H"	78.933592
"1348696"	277.077207	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+DMSO+H"	79.021207
"1016131"	281.116376	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2ACN+H"	83.060376
"1534622"	282.110008	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+IsoProp+Na+H"	84.054008
"998884"	141.061826	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+2ACN+2H"	84.067652
"1594480"	283.024628	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+K+HCOOH"	84.968628
"1421235"	313.056138	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+H+CF3COOH"	115.000138
"1159178"	161.575101	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+3ACN+2H"	125.094202
"1709823"	330.082685	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+NH4+CF3COOH"	132.026685
"1648754"	335.03808	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+Na+CF3COOH"	136.98208
"1585502"	351.01202	"C19087"	"Monuron"	"C9H11ClN2O"	"198.056"	"M+K+CF3COOH"	152.95602
"806026"	359.9602	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M"	0
"982840"	340.94181	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-H2O-H"	-19.01839
"65616"	238.966190666667	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M-3H"	-3.021828
"516112"	358.952924	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M-3H"	-3.021828
"887353"	118.979457333333	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-3H"	-3.021828
"8115"	358.952924	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M-2H"	-2.014552
"444393"	538.933024	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M-2H"	-2.014552
"824382"	178.972824	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-2H"	-2.014552
"83279"	718.913124	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M-H"	-1.007276
"520652"	1078.873324	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M-H"	-1.007276
"901735"	358.952924	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-H"	-1.007276
"56111"	735.939671	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M-2H+NH4"	16.019271
"493483"	1095.899871	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M-2H+NH4"	16.019271
"876998"	375.979471	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-2H+NH4"	16.019271
"39188"	740.895066	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M-2H+Na"	20.974666
"478747"	1100.855266	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M-2H+Na"	20.974666
"856554"	380.934866	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-2H+Na"	20.974666
"1628275"	380.934866	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Na-2H"	20.974666
"97151"	376.941263	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M-H+Cl"	33.962126
"542181"	556.921363	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M-H+Cl"	33.962126
"936787"	196.961163	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-H+Cl"	33.962126
"275344"	754.889802	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+Cl"	34.969402
"663395"	1114.850002	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+Cl"	34.969402
"1273976"	394.929602	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Cl"	34.969402
"20546"	756.869006	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M-2H+K"	36.948606
"459013"	1116.829206	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M-2H+K"	36.948606
"835721"	396.908806	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-2H+K"	36.948606
"1557383"	396.908806	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+K-2H"	36.948606
"945994"	404.958394	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-H+HCOOH"	44.998194
"363484"	764.918601	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+HCOOH-H"	44.998201
"348097"	778.934251	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+Hac-H"	59.013851
"1494012"	418.974051	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Hac-H"	59.013851
"962284"	426.940351	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-H+NaCOOH"	66.980151
"112284"	394.929602	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+2Cl"	69.938804
"554029"	574.909702	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+2Cl"	69.938804
"1023556"	214.949502	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2Cl"	69.938804
"1245687"	438.879085	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Br"	78.918885
"1310325"	440.935072	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Cl+HCOOH"	80.974872
"1325635"	462.917029	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Cl+NaCOOH"	102.956829
"925084"	472.945786	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M-H+CF3COOH"	112.985586
"1298878"	508.922464	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Cl+CF3COOH"	148.962264
"1377038"	324.947524	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H-2H2O"	-35.012676
"1393441"	342.9575	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H-H2O"	-17.0027
"290940"	720.927676	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+H"	1.007276
"684454"	1080.887876	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+H"	1.007276
"1354244"	360.967476	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H"	1.007276
"132598"	360.967476	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+2H"	2.014552
"568145"	540.947576	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+2H"	2.014552
"1038767"	180.987376	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2H"	2.014552
"207758"	240.980742666667	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+3H"	3.021828
"648419"	360.967476	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+3H"	3.021828
"1172020"	120.994009333333	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+3H"	3.021828
"438940"	737.954223	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+NH4"	18.033823
"797384"	1097.914423	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+NH4"	18.033823
"1689340"	377.994023	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+NH4"	18.033823
"339803"	369.4807495	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+H+NH4"	19.041099
"728946"	549.4608495	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+H+NH4"	19.041099
"1486049"	189.5006495	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H+NH4"	19.041099
"399261"	742.909618	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+Na"	22.989218
"759162"	1102.869818	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+Na"	22.989218
"1608355"	382.949418	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Na"	22.989218
"321674"	371.958447	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+H+Na"	23.996494
"714095"	551.938547	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+H+Na"	23.996494
"1466822"	191.978347	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H+Na"	23.996494
"1057882"	128.321323333333	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2H+Na"	25.00377
"1259558"	392.993686	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+CH3OH+H"	33.033486
"379228"	758.883558	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+K"	38.963158
"743502"	1118.843758	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+K"	38.963158
"1546645"	398.923358	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+K"	38.963158
"303823"	379.945417	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+H+K"	39.970434
"694060"	559.925517	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+H+K"	39.970434
"1453351"	199.965317	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H+K"	39.970434
"243046"	761.954226	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+ACN+H"	42.033826
"1213567"	401.994026	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+ACN+H"	42.033826
"1199637"	201.500651	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+ACN+2H"	43.041102
"193603"	764.89156	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+2Na-H"	44.97116
"633163"	1124.85176	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+2Na-H"	44.97116
"1143231"	404.93136	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2Na-H"	44.97116
"179231"	382.949418	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+2Na"	45.978436
"622802"	562.929518	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+2Na"	45.978436
"1120108"	202.969318	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2Na"	45.978436
"1407643"	135.648637333333	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H+2Na"	46.985712
"1438668"	406.972946	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H+HCOOH"	47.012746
"230551"	387.98244	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+3H2O+2H"	56.04448
"1520802"	421.02499	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+IsoProp+H"	61.06479
"422921"	390.936388	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+Na+K"	61.952376
"779297"	570.916488	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+Na+K"	61.952376
"1675630"	210.956288	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Na+K"	61.952376
"262149"	783.936168	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+ACN+Na"	64.015768
"1232670"	423.975968	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+ACN+Na"	64.015768
"1720466"	423.999493	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+NH4+HCOOH"	64.039293
"1183634"	142.975951333333	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+3Na"	68.967654
"1658994"	428.954888	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Na+HCOOH"	68.994688
"166584"	796.83944	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+2K-H"	76.91904
"602139"	1156.79964	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+2K-H"	76.91904
"1093212"	436.87924	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2K-H"	76.91904
"155866"	398.923358	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"2M+2K"	77.926316
"591418"	578.903458	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"3M+2K"	77.926316
"1078481"	218.943258	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2K"	77.926316
"1112422"	438.893792	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2K+H"	78.933592
"1349171"	438.981407	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+DMSO+H"	79.021207
"1014418"	443.020576	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2ACN+H"	83.060376
"1532545"	444.014208	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+IsoProp+Na+H"	84.054008
"996807"	222.013926	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+2ACN+2H"	84.067652
"1596779"	444.928828	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+K+HCOOH"	84.968628
"1424627"	474.960338	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+H+CF3COOH"	115.000138
"1156007"	242.527201	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+3ACN+2H"	125.094202
"1702278"	491.986885	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+NH4+CF3COOH"	132.026685
"1644490"	496.94228	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+Na+CF3COOH"	136.98208
"1585612"	512.91622	"C19088"	"Monuron-TCA;Monuron TCA"	"C9H11ClN2OC2HCl3O2"	"359.9602"	"M+K+CF3COOH"	152.95602
"815617"	232.0823	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M"	0
"989279"	213.06391	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-H2O-H"	-19.01839
"78127"	153.714257333333	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M-3H"	-3.021828
"514040"	231.075024	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M-3H"	-3.021828
"890747"	76.3534906666667	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-3H"	-3.021828
"10413"	231.075024	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M-2H"	-2.014552
"447787"	347.116174	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M-2H"	-2.014552
"829962"	115.033874	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-2H"	-2.014552
"88864"	463.157324	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M-H"	-1.007276
"529515"	695.239624	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M-H"	-1.007276
"911257"	231.075024	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-H"	-1.007276
"60604"	480.183871	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M-2H+NH4"	16.019271
"500772"	712.266171	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M-2H+NH4"	16.019271
"877844"	248.101571	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-2H+NH4"	16.019271
"44282"	485.139266	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M-2H+Na"	20.974666
"484332"	717.221566	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M-2H+Na"	20.974666
"859583"	253.056966	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-2H+Na"	20.974666
"1622919"	253.056966	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Na-2H"	20.974666
"97262"	249.063363	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M-H+Cl"	33.962126
"541196"	365.104513	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M-H+Cl"	33.962126
"931433"	133.022213	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-H+Cl"	33.962126
"279830"	499.134002	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+Cl"	34.969402
"670070"	731.216302	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+Cl"	34.969402
"1283567"	267.051702	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Cl"	34.969402
"30869"	501.113206	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M-2H+K"	36.948606
"465686"	733.195506	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M-2H+K"	36.948606
"844582"	269.030906	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-2H+K"	36.948606
"1568801"	269.030906	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+K-2H"	36.948606
"953768"	277.080494	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-H+HCOOH"	44.998194
"371617"	509.162801	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+HCOOH-H"	44.998201
"357688"	523.178451	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+Hac-H"	59.013851
"1503604"	291.096151	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Hac-H"	59.013851
"967865"	299.062451	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-H+NaCOOH"	66.980151
"114584"	267.051702	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+2Cl"	69.938804
"559614"	383.092852	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+2Cl"	69.938804
"1028411"	151.010552	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2Cl"	69.938804
"1250178"	311.001185	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Br"	78.918885
"1315911"	313.057172	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Cl+HCOOH"	80.974872
"1329032"	335.039129	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Cl+NaCOOH"	102.956829
"921186"	345.067886	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M-H+CF3COOH"	112.985586
"1301541"	381.044564	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Cl+CF3COOH"	148.962264
"1378974"	197.069624	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H-2H2O"	-35.012676
"1393551"	215.0796	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H-H2O"	-17.0027
"295425"	465.171876	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+H"	1.007276
"680193"	697.254176	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+H"	1.007276
"1360916"	233.089576	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H"	1.007276
"135992"	233.089576	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+2H"	2.014552
"568624"	349.130726	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+2H"	2.014552
"1043257"	117.048426	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2H"	2.014552
"207145"	155.728809333333	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+3H"	3.021828
"654006"	233.089576	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+3H"	3.021828
"1177849"	78.3680426666667	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+3H"	3.021828
"435040"	482.198423	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+NH4"	18.033823
"795672"	714.280723	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+NH4"	18.033823
"1688356"	250.116123	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+NH4"	18.033823
"337730"	241.6028495	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+H+NH4"	19.041099
"736350"	357.6439995	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+H+NH4"	19.041099
"1490170"	125.5616995	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H+NH4"	19.041099
"405934"	487.153818	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+Na"	22.989218
"761462"	719.236118	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+Na"	22.989218
"1617342"	255.071518	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Na"	22.989218
"328716"	244.080547	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+H+Na"	23.996494
"720771"	360.121697	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+H+Na"	23.996494
"1469120"	128.039397	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H+Na"	23.996494
"1059086"	85.6953566666667	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2H+Na"	25.00377
"1261856"	265.115786	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+CH3OH+H"	33.033486
"380431"	503.127758	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+K"	38.963158
"742884"	735.210058	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+K"	38.963158
"1541294"	271.045458	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+K"	38.963158
"308314"	252.067517	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+H+K"	39.970434
"703654"	368.108667	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+H+K"	39.970434
"1458206"	136.026367	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H+K"	39.970434
"244254"	506.198426	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+ACN+H"	42.033826
"1218057"	274.116126	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+ACN+H"	42.033826
"1205222"	137.561701	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+ACN+2H"	43.041102
"202958"	509.13576	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+2Na-H"	44.97116
"641299"	741.21806	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+2Na-H"	44.97116
"1142252"	277.05346	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2Na-H"	44.97116
"185543"	255.071518	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+2Na"	45.978436
"627171"	371.112668	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+2Na"	45.978436
"1128607"	139.030368	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2Na"	45.978436
"1409949"	93.0226706666667	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H+2Na"	46.985712
"1438785"	279.095046	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H+HCOOH"	47.012746
"229572"	260.10454	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+3H2O+2H"	56.04448
"1518367"	293.14709	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+IsoProp+H"	61.06479
"419512"	263.058488	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+Na+K"	61.952376
"780141"	379.099638	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+Na+K"	61.952376
"1674650"	147.017338	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Na+K"	61.952376
"256429"	528.180368	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+ACN+Na"	64.015768
"1229863"	296.098068	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+ACN+Na"	64.015768
"1715469"	296.121593	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+NH4+HCOOH"	64.039293
"1182285"	100.349984666667	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+3Na"	68.967654
"1652178"	301.076988	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Na+HCOOH"	68.994688
"163782"	541.08364	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+2K-H"	76.91904
"609906"	773.16594	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+2K-H"	76.91904
"1098431"	309.00134	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2K-H"	76.91904
"154157"	271.045458	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"2M+2K"	77.926316
"586428"	387.086608	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"3M+2K"	77.926316
"1079688"	155.004308	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2K"	77.926316
"1108524"	311.015892	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2K+H"	78.933592
"1349283"	311.103507	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+DMSO+H"	79.021207
"1013437"	315.142676	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2ACN+H"	83.060376
"1534844"	316.136308	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+IsoProp+Na+H"	84.054008
"1001291"	158.074976	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+2ACN+2H"	84.067652
"1597983"	317.050928	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+K+HCOOH"	84.968628
"1426561"	347.082438	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+H+CF3COOH"	115.000138
"1158304"	178.588251	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+3ACN+2H"	125.094202
"1705668"	364.108985	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+NH4+CF3COOH"	132.026685
"1644600"	369.06438	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+Na+CF3COOH"	136.98208
"1585722"	385.03832	"C19089"	"Parafluron"	"C10H11F3N2O"	"232.0823"	"M+K+CF3COOH"	152.95602
"806246"	336.0432	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M"	0
"985250"	317.02481	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-H2O-H"	-19.01839
"72396"	223.021524	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M-3H"	-3.021828
"518160"	335.035924	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M-3H"	-3.021828
"894626"	111.007124	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-3H"	-3.021828
"12711"	335.035924	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M-2H"	-2.014552
"452270"	503.057524	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M-2H"	-2.014552
"831533"	167.014324	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-2H"	-2.014552
"87880"	671.079124	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M-H"	-1.007276
"530718"	1007.122324	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M-H"	-1.007276
"910713"	335.035924	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-H"	-1.007276
"60715"	688.105671	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M-2H+NH4"	16.019271
"500517"	1024.148871	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M-2H+NH4"	16.019271
"877345"	352.062471	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-2H+NH4"	16.019271
"45849"	693.061066	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M-2H+Na"	20.974666
"485532"	1029.104266	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M-2H+Na"	20.974666
"858964"	357.017866	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-2H+Na"	20.974666
"1623392"	357.017866	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Na-2H"	20.974666
"97736"	353.024263	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M-H+Cl"	33.962126
"538027"	521.045863	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M-H+Cl"	33.962126
"929358"	185.002663	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-H+Cl"	33.962126
"273381"	707.055802	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+Cl"	34.969402
"670180"	1043.099002	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+Cl"	34.969402
"1282584"	371.012602	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Cl"	34.969402
"30571"	709.035006	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M-2H+K"	36.948606
"467984"	1045.078206	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M-2H+K"	36.948606
"843599"	372.991806	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-2H+K"	36.948606
"1569640"	372.991806	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+K-2H"	36.948606
"950598"	381.041394	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-H+HCOOH"	44.998194
"366623"	717.084601	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+HCOOH-H"	44.998201
"354880"	731.100251	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+Hac-H"	59.013851
"1502619"	395.057051	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Hac-H"	59.013851
"965787"	403.023351	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-H+NaCOOH"	66.980151
"113236"	371.012602	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+2Cl"	69.938804
"560817"	539.034202	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+2Cl"	69.938804
"1030709"	202.991002	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2Cl"	69.938804
"1254300"	414.962085	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Br"	78.918885
"1317479"	417.018072	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Cl+HCOOH"	80.974872
"1331328"	439.000029	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Cl+NaCOOH"	102.956829
"922389"	449.028786	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M-H+CF3COOH"	112.985586
"1303966"	485.005464	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Cl+CF3COOH"	148.962264
"1379814"	301.030524	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H-2H2O"	-35.012676
"1393661"	319.0405	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H-H2O"	-17.0027
"295535"	673.093676	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+H"	1.007276
"681397"	1009.136876	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+H"	1.007276
"1364306"	337.050476	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H"	1.007276
"136102"	337.050476	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+2H"	2.014552
"569827"	505.072076	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+2H"	2.014552
"1043367"	169.028876	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2H"	2.014552
"207983"	225.036076	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+3H"	3.021828
"655209"	337.050476	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+3H"	3.021828
"1176987"	113.021676	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+3H"	3.021828
"436606"	690.120223	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+NH4"	18.033823
"797601"	1026.163423	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+NH4"	18.033823
"1689559"	354.077023	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+NH4"	18.033823
"337840"	345.5637495	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+H+NH4"	19.041099
"734639"	513.5853495	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+H+NH4"	19.041099
"1481896"	177.5421495	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H+NH4"	19.041099
"400576"	695.075618	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+Na"	22.989218
"761572"	1031.118818	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+Na"	22.989218
"1617576"	359.032418	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Na"	22.989218
"327733"	348.041447	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+H+Na"	23.996494
"719061"	516.063047	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+H+Na"	23.996494
"1468137"	180.019847	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H+Na"	23.996494
"1059196"	120.34899	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2H+Na"	25.00377
"1263059"	369.076686	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+CH3OH+H"	33.033486
"381634"	711.049558	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+K"	38.963158
"743724"	1047.092758	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+K"	38.963158
"1542497"	375.006358	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+K"	38.963158
"304049"	356.028417	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+H+K"	39.970434
"701943"	524.050017	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+H+K"	39.970434
"1458682"	188.006817	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H+K"	39.970434
"244365"	714.120226	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+ACN+H"	42.033826
"1218167"	378.077026	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+ACN+H"	42.033826
"1203144"	189.542151	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+ACN+2H"	43.041102
"203068"	717.05756	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+2Na-H"	44.97116
"637762"	1053.10076	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+2Na-H"	44.97116
"1144064"	381.01436	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2Na-H"	44.97116
"186627"	359.032418	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+2Na"	45.978436
"624847"	527.054018	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+2Na"	45.978436
"1127989"	191.010818	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2Na"	45.978436
"1406776"	127.676304	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H+2Na"	46.985712
"1441081"	383.055946	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H+HCOOH"	47.012746
"229682"	364.06544	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+3H2O+2H"	56.04448
"1520664"	397.10799	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+IsoProp+H"	61.06479
"418527"	367.019388	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+Na+K"	61.952376
"780614"	535.040988	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+Na+K"	61.952376
"1675853"	198.997788	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Na+K"	61.952376
"256173"	736.102168	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+ACN+Na"	64.015768
"1230701"	400.058968	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+ACN+Na"	64.015768
"1715943"	400.082493	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+NH4+HCOOH"	64.039293
"1183855"	135.003618	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+3Na"	68.967654
"1652652"	405.037888	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Na+HCOOH"	68.994688
"161705"	749.00544	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+2K-H"	76.91904
"610016"	1085.04864	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+2K-H"	76.91904
"1098664"	412.96224	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2K-H"	76.91904
"156215"	375.006358	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"2M+2K"	77.926316
"593099"	543.027958	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"3M+2K"	77.926316
"1083449"	206.984758	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2K"	77.926316
"1114101"	414.976792	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2K+H"	78.933592
"1350486"	415.064407	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+DMSO+H"	79.021207
"1019013"	419.103576	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2ACN+H"	83.060376
"1537141"	420.097208	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+IsoProp+Na+H"	84.054008
"1002494"	210.055426	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+2ACN+2H"	84.067652
"1600279"	421.011828	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+K+HCOOH"	84.968628
"1427033"	451.043338	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+H+CF3COOH"	115.000138
"1161211"	230.568701	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+3ACN+2H"	125.094202
"1705778"	468.069885	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+NH4+CF3COOH"	132.026685
"1644710"	473.02528	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+Na+CF3COOH"	136.98208
"1585832"	488.99922	"C19090"	"Phenobenzuron"	"C16H14Cl2N2O2"	"336.0432"	"M+K+CF3COOH"	152.95602
"806357"	198.9403	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M"	0
"983170"	179.92191	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-H2O-H"	-19.01839
"72506"	131.619590666667	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M-3H"	-3.021828
"518471"	197.933024	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M-3H"	-3.021828
"895412"	65.3061573333333	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-3H"	-3.021828
"13916"	197.933024	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M-2H"	-2.014552
"454203"	297.403174	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M-2H"	-2.014552
"832453"	98.462874	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-2H"	-2.014552
"92360"	396.873324	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M-H"	-1.007276
"530829"	595.813624	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M-H"	-1.007276
"909850"	197.933024	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-H"	-1.007276
"61065"	413.899871	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M-2H+NH4"	16.019271
"500382"	612.840171	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M-2H+NH4"	16.019271
"877820"	214.959571	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-2H+NH4"	16.019271
"44623"	418.855266	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M-2H+Na"	20.974666
"484918"	617.795566	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M-2H+Na"	20.974666
"859074"	219.914966	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-2H+Na"	20.974666
"1624234"	219.914966	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Na-2H"	20.974666
"98578"	215.921363	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M-H+Cl"	33.962126
"539234"	315.391513	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M-H+Cl"	33.962126
"932750"	116.451213	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-H+Cl"	33.962126
"273494"	432.850002	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+Cl"	34.969402
"670292"	631.790302	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+Cl"	34.969402
"1284882"	233.909702	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Cl"	34.969402
"30239"	434.829206	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M-2H+K"	36.948606
"465908"	633.769506	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M-2H+K"	36.948606
"846626"	235.888906	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-2H+K"	36.948606
"1569751"	235.888906	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+K-2H"	36.948606
"954717"	243.938494	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-H+HCOOH"	44.998194
"367828"	442.878801	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+HCOOH-H"	44.998201
"357544"	456.894451	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+Hac-H"	59.013851
"1502729"	257.954151	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Hac-H"	59.013851
"968084"	265.920451	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-H+NaCOOH"	66.980151
"120273"	233.909702	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+2Cl"	69.938804
"563117"	333.379852	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+2Cl"	69.938804
"1031915"	134.439552	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2Cl"	69.938804
"1256119"	277.859185	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Br"	78.918885
"1316861"	279.915172	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Cl+HCOOH"	80.974872
"1332899"	301.897129	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Cl+NaCOOH"	102.956829
"925418"	311.925886	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M-H+CF3COOH"	112.985586
"1298116"	347.902564	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Cl+CF3COOH"	148.962264
"1380648"	163.927624	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H-2H2O"	-35.012676
"1393770"	181.9376	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H-H2O"	-17.0027
"289084"	398.887876	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+H"	1.007276
"688066"	597.828176	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+H"	1.007276
"1363323"	199.947576	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H"	1.007276
"129649"	199.947576	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+2H"	2.014552
"567022"	299.417726	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+2H"	2.014552
"1043477"	100.477426	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2H"	2.014552
"206638"	133.634142666667	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+3H"	3.021828
"655318"	199.947576	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+3H"	3.021828
"1177100"	67.3207093333333	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+3H"	3.021828
"439152"	415.914423	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+NH4"	18.033823
"799782"	614.854723	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+NH4"	18.033823
"1689670"	216.974123	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+NH4"	18.033823
"337951"	208.4608495	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+H+NH4"	19.041099
"735113"	307.9309995	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+H+NH4"	19.041099
"1488933"	108.9906995	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H+NH4"	19.041099
"402873"	420.869818	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+Na"	22.989218
"761682"	619.810118	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+Na"	22.989218
"1618052"	221.929518	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Na"	22.989218
"327482"	210.938547	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+H+Na"	23.996494
"720629"	310.408697	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+H+Na"	23.996494
"1472987"	111.468397	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H+Na"	23.996494
"1058214"	74.6480233333333	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2H+Na"	25.00377
"1265358"	231.973786	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+CH3OH+H"	33.033486
"383931"	436.843758	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+K"	38.963158
"746019"	635.784058	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+K"	38.963158
"1543336"	237.903458	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+K"	38.963158
"303066"	218.925517	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+H+K"	39.970434
"702417"	318.395667	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+H+K"	39.970434
"1459521"	119.455367	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H+K"	39.970434
"246299"	439.914426	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+ACN+H"	42.033826
"1224931"	240.974126	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+ACN+H"	42.033826
"1207630"	120.990701	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+ACN+2H"	43.041102
"203789"	442.85176	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+2Na-H"	44.97116
"640425"	641.79206	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+2Na-H"	44.97116
"1146120"	243.91146	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2Na-H"	44.97116
"187345"	221.929518	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+2Na"	45.978436
"625687"	321.399668	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+2Na"	45.978436
"1129923"	122.459368	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2Na"	45.978436
"1410168"	81.9753373333333	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H+2Na"	46.985712
"1440096"	245.953046	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H+HCOOH"	47.012746
"228699"	226.96254	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+3H2O+2H"	56.04448
"1515670"	260.00509	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+IsoProp+H"	61.06479
"418637"	229.916488	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+Na+K"	61.952376
"776351"	329.386638	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+Na+K"	61.952376
"1671585"	130.446338	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Na+K"	61.952376
"255188"	461.896368	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+ACN+Na"	64.015768
"1228261"	262.956068	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+ACN+Na"	64.015768
"1712933"	262.979593	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+NH4+HCOOH"	64.039293
"1183965"	89.3026513333333	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+3Na"	68.967654
"1652397"	267.934988	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Na+HCOOH"	68.994688
"157309"	474.79964	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+2K-H"	76.91904
"609033"	673.73994	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+2K-H"	76.91904
"1097193"	275.85934	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2K-H"	76.91904
"155716"	237.903458	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"2M+2K"	77.926316
"591023"	337.373608	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"3M+2K"	77.926316
"1083680"	138.433308	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2K"	77.926316
"1114945"	277.873892	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2K+H"	78.933592
"1350473"	277.961507	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+DMSO+H"	79.021207
"1020218"	282.000676	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2ACN+H"	83.060376
"1538832"	282.994308	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+IsoProp+Na+H"	84.054008
"1002607"	141.503976	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+2ACN+2H"	84.067652
"1598203"	283.908928	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+K+HCOOH"	84.968628
"1424958"	313.940438	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+H+CF3COOH"	115.000138
"1161078"	162.017251	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+3ACN+2H"	125.094202
"1710265"	330.966985	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+NH4+CF3COOH"	132.026685
"1649198"	335.92238	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+Na+CF3COOH"	136.98208
"1585942"	351.89632	"C19091"	"Haloxydine"	"C5HCl2F2NO"	"198.9403"	"M+K+CF3COOH"	152.95602
"806467"	264.0351	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M"	0
"981092"	245.01671	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-H2O-H"	-19.01839
"69336"	175.016124	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M-3H"	-3.021828
"517161"	263.027824	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M-3H"	-3.021828
"895639"	87.004424	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-3H"	-3.021828
"14877"	263.027824	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M-2H"	-2.014552
"455289"	395.045374	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M-2H"	-2.014552
"831997"	131.010274	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-2H"	-2.014552
"93082"	527.062924	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M-H"	-1.007276
"530939"	791.098024	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M-H"	-1.007276
"911337"	263.027824	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-H"	-1.007276
"62679"	544.089471	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M-2H+NH4"	16.019271
"501588"	808.124571	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M-2H+NH4"	16.019271
"879758"	280.054371	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-2H+NH4"	16.019271
"45097"	549.044866	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M-2H+Na"	20.974666
"485392"	813.079966	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M-2H+Na"	20.974666
"858091"	285.009766	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-2H+Na"	20.974666
"1624344"	285.009766	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Na-2H"	20.974666
"99781"	281.016163	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M-H+Cl"	33.962126
"541534"	413.033713	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M-H+Cl"	33.962126
"937234"	148.998613	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-H+Cl"	33.962126
"268008"	563.039602	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+Cl"	34.969402
"670402"	827.074702	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+Cl"	34.969402
"1284992"	299.004502	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Cl"	34.969402
"29742"	565.018806	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M-2H+K"	36.948606
"466018"	829.053906	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M-2H+K"	36.948606
"843820"	300.983706	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-2H+K"	36.948606
"1569740"	300.983706	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+K-2H"	36.948606
"953004"	309.033294	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-H+HCOOH"	44.998194
"369031"	573.068401	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+HCOOH-H"	44.998201
"358018"	587.084051	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+Hac-H"	59.013851
"1502839"	323.048951	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Hac-H"	59.013851
"968194"	331.015251	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-H+NaCOOH"	66.980151
"117103"	299.004502	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+2Cl"	69.938804
"564442"	431.022052	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+2Cl"	69.938804
"1034940"	166.986952	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2Cl"	69.938804
"1256835"	342.953985	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Br"	78.918885
"1318430"	345.009972	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Cl+HCOOH"	80.974872
"1332645"	366.991929	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Cl+NaCOOH"	102.956829
"921517"	377.020686	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M-H+CF3COOH"	112.985586
"1298226"	412.997364	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Cl+CF3COOH"	148.962264
"1377478"	229.022424	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H-2H2O"	-35.012676
"1390599"	247.0324	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H-H2O"	-17.0027
"288098"	529.077476	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+H"	1.007276
"681616"	793.112576	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+H"	1.007276
"1355777"	265.042376	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H"	1.007276
"130487"	265.042376	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+2H"	2.014552
"566035"	397.059926	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+2H"	2.014552
"1039940"	133.024826	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2H"	2.014552
"207113"	177.030676	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+3H"	3.021828
"653242"	265.042376	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+3H"	3.021828
"1177934"	89.018976	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+3H"	3.021828
"437925"	546.104023	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+NH4"	18.033823
"800256"	810.139123	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+NH4"	18.033823
"1688686"	282.068923	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+NH4"	18.033823
"336968"	273.5556495	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+H+NH4"	19.041099
"735587"	405.5731995	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+H+NH4"	19.041099
"1489407"	141.5380995	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H+NH4"	19.041099
"402983"	551.059418	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+Na"	22.989218
"761792"	815.094518	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+Na"	22.989218
"1617797"	287.024318	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Na"	22.989218
"328563"	276.033347	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+H+Na"	23.996494
"721101"	408.050897	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+H+Na"	23.996494
"1473461"	144.015797	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H+Na"	23.996494
"1059417"	96.34629	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2H+Na"	25.00377
"1263280"	297.068586	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+CH3OH+H"	33.033486
"380761"	567.033358	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+K"	38.963158
"747223"	831.068458	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+K"	38.963158
"1543810"	302.998258	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+K"	38.963158
"303176"	284.020317	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+H+K"	39.970434
"699975"	416.037867	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+H+K"	39.970434
"1459264"	152.002767	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H+K"	39.970434
"246773"	570.104026	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+ACN+H"	42.033826
"1225196"	306.068926	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+ACN+H"	42.033826
"1208590"	153.538101	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+ACN+2H"	43.041102
"203655"	573.04136	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+2Na-H"	44.97116
"643452"	837.07646	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+2Na-H"	44.97116
"1146115"	309.00626	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2Na-H"	44.97116
"187940"	287.024318	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+2Na"	45.978436
"627742"	419.041868	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+2Na"	45.978436
"1129910"	155.006768	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2Na"	45.978436
"1409184"	103.673604	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H+2Na"	46.985712
"1442030"	311.047846	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H+HCOOH"	47.012746
"230997"	292.05734	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+3H2O+2H"	56.04448
"1513593"	325.09989	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+IsoProp+H"	61.06479
"415467"	295.011288	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+Na+K"	61.952376
"775368"	427.028838	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+Na+K"	61.952376
"1669873"	162.993738	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Na+K"	61.952376
"255297"	592.085968	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+ACN+Na"	64.015768
"1228371"	328.050868	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+ACN+Na"	64.015768
"1715070"	328.074393	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+NH4+HCOOH"	64.039293
"1184075"	111.000918	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+3Na"	68.967654
"1651416"	333.029788	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Na+HCOOH"	68.994688
"157547"	604.98924	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+2K-H"	76.91904
"609143"	869.02434	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+2K-H"	76.91904
"1096937"	340.95414	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2K-H"	76.91904
"156436"	302.998258	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"2M+2K"	77.926316
"591133"	435.015808	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"3M+2K"	77.926316
"1083669"	170.980708	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2K"	77.926316
"1115382"	342.968692	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2K+H"	78.933592
"1351184"	343.056307	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+DMSO+H"	79.021207
"1020086"	347.095476	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2ACN+H"	83.060376
"1539064"	348.089108	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+IsoProp+Na+H"	84.054008
"1004541"	174.051376	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+2ACN+2H"	84.067652
"1602202"	349.003728	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+K+HCOOH"	84.968628
"1428347"	379.035238	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+H+CF3COOH"	115.000138
"1159729"	194.564651	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+3ACN+2H"	125.094202
"1710372"	396.061785	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+NH4+CF3COOH"	132.026685
"1649307"	401.01718	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+Na+CF3COOH"	136.98208
"1586052"	416.99112	"C19092"	"Ethidimuron"	"C7H12N4O3S2"	"264.0351"	"M+K+CF3COOH"	152.95602
"814232"	240.0293	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M"	0
"981202"	221.01091	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-H2O-H"	-19.01839
"66166"	159.012257333333	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M-3H"	-3.021828
"517635"	239.022024	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M-3H"	-3.021828
"894099"	79.0024906666667	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-3H"	-3.021828
"15355"	239.022024	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M-2H"	-2.014552
"454666"	359.036674	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M-2H"	-2.014552
"832230"	119.007374	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-2H"	-2.014552
"93433"	479.051324	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M-H"	-1.007276
"525582"	719.080624	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M-H"	-1.007276
"909824"	239.022024	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-H"	-1.007276
"62258"	496.077871	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M-2H+NH4"	16.019271
"499507"	736.107171	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M-2H+NH4"	16.019271
"879419"	256.048571	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-2H+NH4"	16.019271
"43020"	501.033266	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M-2H+Na"	20.974666
"483677"	741.062566	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M-2H+Na"	20.974666
"858199"	261.003966	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-2H+Na"	20.974666
"1627735"	261.003966	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Na-2H"	20.974666
"98798"	257.010363	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M-H+Cl"	33.962126
"543830"	377.025013	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M-H+Cl"	33.962126
"937344"	136.995713	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-H+Cl"	33.962126
"268606"	515.028002	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+Cl"	34.969402
"670512"	755.057302	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+Cl"	34.969402
"1282916"	274.998702	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Cl"	34.969402
"30216"	517.007206	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M-2H+K"	36.948606
"467222"	757.036506	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M-2H+K"	36.948606
"846846"	276.977906	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-2H+K"	36.948606
"1570944"	276.977906	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+K-2H"	36.948606
"955301"	285.027494	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-H+HCOOH"	44.998194
"370235"	525.056801	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+HCOOH-H"	44.998201
"359222"	539.072451	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+Hac-H"	59.013851
"1502949"	299.043151	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Hac-H"	59.013851
"967210"	307.009451	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-H+NaCOOH"	66.980151
"118306"	274.998702	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+2Cl"	69.938804
"558960"	395.013352	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+2Cl"	69.938804
"1028852"	154.984052	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2Cl"	69.938804
"1256818"	318.948185	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Br"	78.918885
"1317812"	321.004172	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Cl+HCOOH"	80.974872
"1333119"	342.986129	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Cl+NaCOOH"	102.956829
"923815"	353.014886	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M-H+CF3COOH"	112.985586
"1300522"	388.991564	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Cl+CF3COOH"	148.962264
"1377588"	205.016624	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H-2H2O"	-35.012676
"1390709"	223.0266	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H-H2O"	-17.0027
"287115"	481.065876	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+H"	1.007276
"679539"	721.095176	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+H"	1.007276
"1356251"	241.036576	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H"	1.007276
"130597"	241.036576	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+2H"	2.014552
"567966"	361.051226	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+2H"	2.014552
"1040050"	121.021926	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2H"	2.014552
"209045"	161.026809333333	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+3H"	3.021828
"648607"	241.036576	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+3H"	3.021828
"1177316"	81.0170426666667	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+3H"	3.021828
"437306"	498.092423	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+NH4"	18.033823
"799393"	738.121723	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+NH4"	18.033823
"1690982"	258.063123	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+NH4"	18.033823
"334891"	249.5498495	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+H+NH4"	19.041099
"729499"	369.5644995	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+H+NH4"	19.041099
"1489881"	129.5351995	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H+NH4"	19.041099
"399813"	503.047818	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+Na"	22.989218
"764089"	743.077118	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+Na"	22.989218
"1618024"	263.018518	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Na"	22.989218
"328550"	252.027547	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+H+Na"	23.996494
"719023"	372.042197	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+H+Na"	23.996494
"1467373"	132.012897	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H+Na"	23.996494
"1058434"	88.3443566666667	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2H+Na"	25.00377
"1262297"	273.062786	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+CH3OH+H"	33.033486
"384152"	519.021758	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+K"	38.963158
"750250"	759.051058	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+K"	38.963158
"1546106"	278.992458	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+K"	38.963158
"306568"	260.014517	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+H+K"	39.970434
"701178"	380.029167	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+H+K"	39.970434
"1461176"	139.999867	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H+K"	39.970434
"250042"	522.092426	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+ACN+H"	42.033826
"1225312"	282.063126	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+ACN+H"	42.033826
"1209839"	141.535201	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+ACN+2H"	43.041102
"204049"	525.02976	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+2Na-H"	44.97116
"643804"	765.05906	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+2Na-H"	44.97116
"1146789"	285.00046	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2Na-H"	44.97116
"188423"	263.018518	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+2Na"	45.978436
"628179"	383.033168	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+2Na"	45.978436
"1131280"	143.003868	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2Na"	45.978436
"1411481"	95.6716706666667	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H+2Na"	46.985712
"1441411"	287.042046	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H+HCOOH"	47.012746
"233294"	268.05154	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+3H2O+2H"	56.04448
"1515889"	301.09409	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+IsoProp+H"	61.06479
"417764"	271.005488	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+Na+K"	61.952376
"778758"	391.020138	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+Na+K"	61.952376
"1671076"	150.990838	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Na+K"	61.952376
"255773"	544.074368	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+ACN+Na"	64.015768
"1228845"	304.045068	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+ACN+Na"	64.015768
"1716639"	304.068593	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+NH4+HCOOH"	64.039293
"1184185"	102.998984666667	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+3Na"	68.967654
"1652254"	309.023988	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Na+HCOOH"	68.994688
"158263"	556.97764	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+2K-H"	76.91904
"607067"	797.00694	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+2K-H"	76.91904
"1095954"	316.94834	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2K-H"	76.91904
"156553"	278.992458	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"2M+2K"	77.926316
"596472"	399.007108	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"3M+2K"	77.926316
"1083292"	158.977808	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2K"	77.926316
"1114070"	318.962892	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2K+H"	78.933592
"1351065"	319.050507	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+DMSO+H"	79.021207
"1020075"	323.089676	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2ACN+H"	83.060376
"1539177"	324.083308	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+IsoProp+Na+H"	84.054008
"1003920"	162.048476	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+2ACN+2H"	84.067652
"1601339"	324.997928	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+K+HCOOH"	84.968628
"1425177"	355.029438	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+H+CF3COOH"	115.000138
"1156559"	182.561751	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+3ACN+2H"	125.094202
"1709389"	372.055985	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+NH4+CF3COOH"	132.026685
"1649417"	377.01138	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+Na+CF3COOH"	136.98208
"1586162"	392.98532	"C19093"	"Thiazafluron"	"C6H7F3N4OS"	"240.0293"	"M+K+CF3COOH"	152.95602
"815071"	269.0408	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M"	0
"983500"	250.02241	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-H2O-H"	-19.01839
"69556"	178.353257333333	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M-3H"	-3.021828
"517868"	268.033524	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M-3H"	-3.021828
"891292"	88.6729906666666	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-3H"	-3.021828
"15299"	268.033524	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M-2H"	-2.014552
"454897"	402.553924	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M-2H"	-2.014552
"830513"	133.513124	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-2H"	-2.014552
"92690"	537.074324	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M-H"	-1.007276
"525692"	806.115124	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M-H"	-1.007276
"910055"	268.033524	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-H"	-1.007276
"61150"	554.100871	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M-2H+NH4"	16.019271
"499617"	823.141671	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M-2H+NH4"	16.019271
"878147"	285.060071	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-2H+NH4"	16.019271
"40943"	559.056266	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M-2H+Na"	20.974666
"478318"	828.097066	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M-2H+Na"	20.974666
"858309"	290.015466	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-2H+Na"	20.974666
"1623471"	290.015466	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Na-2H"	20.974666
"99272"	286.021863	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M-H+Cl"	33.962126
"546126"	420.542263	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M-H+Cl"	33.962126
"940733"	151.501463	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-H+Cl"	33.962126
"267989"	573.051002	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+Cl"	34.969402
"672808"	842.091802	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+Cl"	34.969402
"1285212"	304.010202	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Cl"	34.969402
"26311"	575.030206	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M-2H+K"	36.948606
"469518"	844.071006	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M-2H+K"	36.948606
"846592"	305.989406	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-2H+K"	36.948606
"1570734"	305.989406	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+K-2H"	36.948606
"954683"	314.038994	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-H+HCOOH"	44.998194
"370345"	583.079801	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+HCOOH-H"	44.998201
"358967"	597.095451	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+Hac-H"	59.013851
"1503059"	328.054651	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Hac-H"	59.013851
"965497"	336.020951	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-H+NaCOOH"	66.980151
"119509"	304.010202	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+2Cl"	69.938804
"559070"	438.530602	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+2Cl"	69.938804
"1034431"	169.489802	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2Cl"	69.938804
"1255103"	347.959685	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Br"	78.918885
"1317920"	350.015672	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Cl+HCOOH"	80.974872
"1332862"	371.997629	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Cl+NaCOOH"	102.956829
"925019"	382.026386	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M-H+CF3COOH"	112.985586
"1300268"	418.003064	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Cl+CF3COOH"	148.962264
"1380981"	234.028124	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H-2H2O"	-35.012676
"1394100"	252.0381	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H-H2O"	-17.0027
"287591"	539.088876	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+H"	1.007276
"682929"	808.129676	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+H"	1.007276
"1355997"	270.048076	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H"	1.007276
"128520"	270.048076	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+2H"	2.014552
"566618"	404.568476	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+2H"	2.014552
"1040160"	135.527676	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2H"	2.014552
"208062"	180.367809333333	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+3H"	3.021828
"648353"	270.048076	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+3H"	3.021828
"1177790"	90.6875426666667	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+3H"	3.021828
"437052"	556.115423	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+NH4"	18.033823
"798775"	825.156223	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+NH4"	18.033823
"1693278"	287.074623	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+NH4"	18.033823
"337187"	278.5613495	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+H+NH4"	19.041099
"730702"	413.0817495	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+H+NH4"	19.041099
"1488534"	144.0409495	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H+NH4"	19.041099
"401016"	561.070818	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+Na"	22.989218
"763106"	830.111618	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+Na"	22.989218
"1612298"	292.030018	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Na"	22.989218
"326716"	281.039047	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+H+Na"	23.996494
"718769"	415.559447	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+H+Na"	23.996494
"1468576"	146.518647	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H+Na"	23.996494
"1058544"	98.0148566666667	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2H+Na"	25.00377
"1262407"	302.074286	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+CH3OH+H"	33.033486
"384991"	577.044758	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+K"	38.963158
"751453"	846.085558	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+K"	38.963158
"1548402"	308.003958	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+K"	38.963158
"303396"	289.026017	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+H+K"	39.970434
"699099"	423.546417	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+H+K"	39.970434
"1460543"	154.505617	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H+K"	39.970434
"250272"	580.115426	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+ACN+H"	42.033826
"1224926"	311.074626	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+ACN+H"	42.033826
"1209054"	156.040951	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+ACN+2H"	43.041102
"203913"	583.05276	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+2Na-H"	44.97116
"642455"	852.09356	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+2Na-H"	44.97116
"1145720"	314.01196	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2Na-H"	44.97116
"187674"	292.030018	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+2Na"	45.978436
"626749"	426.550418	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+2Na"	45.978436
"1130616"	157.509618	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2Na"	45.978436
"1410497"	105.342170666667	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H+2Na"	46.985712
"1441521"	316.053546	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H+HCOOH"	47.012746
"231217"	297.06304	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+3H2O+2H"	56.04448
"1514906"	330.10559	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+IsoProp+H"	61.06479
"417874"	300.016988	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+Na+K"	61.952376
"776681"	434.537388	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+Na+K"	61.952376
"1669729"	165.496588	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Na+K"	61.952376
"254061"	602.097368	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+ACN+Na"	64.015768
"1228229"	333.056568	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+ACN+Na"	64.015768
"1715290"	333.080093	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+NH4+HCOOH"	64.039293
"1182108"	112.669484666667	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+3Na"	68.967654
"1654189"	338.035488	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Na+HCOOH"	68.994688
"158496"	615.00064	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+2K-H"	76.91904
"607174"	884.04144	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+2K-H"	76.91904
"1099222"	345.95984	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2K-H"	76.91904
"156926"	308.003958	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"2M+2K"	77.926316
"596951"	442.524358	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"3M+2K"	77.926316
"1083769"	173.483558	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2K"	77.926316
"1114910"	347.974392	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2K+H"	78.933592
"1350320"	348.062007	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+DMSO+H"	79.021207
"1020917"	352.101176	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2ACN+H"	83.060376
"1539692"	353.094808	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+IsoProp+Na+H"	84.054008
"1004029"	176.554226	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+2ACN+2H"	84.067652
"1602384"	354.009428	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+K+HCOOH"	84.968628
"1425287"	384.040938	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+H+CF3COOH"	115.000138
"1156669"	197.067501	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+3ACN+2H"	125.094202
"1711686"	401.067485	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+NH4+CF3COOH"	132.026685
"1645150"	406.02288	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+Na+CF3COOH"	136.98208
"1586272"	421.99682	"C19094"	"Diallat;Di-allate"	"C10H17Cl2NOS"	"269.0408"	"M+K+CF3COOH"	152.95602
"815910"	161.0874	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M"	0
"986529"	142.06901	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-H2O-H"	-19.01839
"77327"	106.384324	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M-3H"	-3.021828
"517374"	160.080124	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M-3H"	-3.021828
"894206"	52.688524	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-3H"	-3.021828
"14844"	160.080124	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M-2H"	-2.014552
"455374"	240.623824	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M-2H"	-2.014552
"831231"	79.536424	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-2H"	-2.014552
"93166"	321.167524	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M-H"	-1.007276
"524709"	482.254924	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M-H"	-1.007276
"910412"	160.080124	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-H"	-1.007276
"61261"	338.194071	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M-2H+NH4"	16.019271
"501551"	499.281471	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M-2H+NH4"	16.019271
"878988"	177.106671	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-2H+NH4"	16.019271
"41055"	343.149466	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M-2H+Na"	20.974666
"479522"	504.236866	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M-2H+Na"	20.974666
"852952"	182.062066	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-2H+Na"	20.974666
"1622487"	182.062066	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Na-2H"	20.974666
"100111"	178.068463	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M-H+Cl"	33.962126
"544049"	258.612163	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M-H+Cl"	33.962126
"934281"	97.524763	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-H+Cl"	33.962126
"269194"	357.144202	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+Cl"	34.969402
"672918"	518.231602	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+Cl"	34.969402
"1284229"	196.056802	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Cl"	34.969402
"24598"	359.123406	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M-2H+K"	36.948606
"466348"	520.210806	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M-2H+K"	36.948606
"844150"	198.036006	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-2H+K"	36.948606
"1568733"	198.036006	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+K-2H"	36.948606
"953333"	206.085594	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-H+HCOOH"	44.998194
"370455"	367.173001	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+HCOOH-H"	44.998201
"349961"	381.188651	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+Hac-H"	59.013851
"1503169"	220.101251	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Hac-H"	59.013851
"966336"	228.067551	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-H+NaCOOH"	66.980151
"122536"	196.056802	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+2Cl"	69.938804
"561731"	276.600502	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+2Cl"	69.938804
"1027979"	115.513102	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2Cl"	69.938804
"1253026"	240.006285	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Br"	78.918885
"1318029"	242.062272	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Cl+HCOOH"	80.974872
"1334064"	264.044229	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Cl+NaCOOH"	102.956829
"923671"	274.072986	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M-H+CF3COOH"	112.985586
"1299286"	310.049664	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Cl+CF3COOH"	148.962264
"1378539"	126.074724	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H-2H2O"	-35.012676
"1390931"	144.0847	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H-H2O"	-17.0027
"288065"	323.182076	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+H"	1.007276
"685226"	484.269476	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+H"	1.007276
"1358294"	162.094676	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H"	1.007276
"128995"	162.094676	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+2H"	2.014552
"566001"	242.638376	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+2H"	2.014552
"1041729"	81.550976	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2H"	2.014552
"208537"	108.398876	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+3H"	3.021828
"648097"	162.094676	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+3H"	3.021828
"1176438"	54.703076	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+3H"	3.021828
"437157"	340.208623	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+NH4"	18.033823
"798155"	501.296023	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+NH4"	18.033823
"1693759"	179.121223	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+NH4"	18.033823
"336203"	170.6079495	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+H+NH4"	19.041099
"730812"	251.1516495	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+H+NH4"	19.041099
"1489008"	90.0642495	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H+NH4"	19.041099
"402220"	345.164018	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+Na"	22.989218
"767591"	506.251418	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+Na"	22.989218
"1614596"	184.076618	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Na"	22.989218
"325733"	173.085647	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+H+Na"	23.996494
"718150"	253.629347	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+H+Na"	23.996494
"1470874"	92.541947	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H+Na"	23.996494
"1057561"	62.03039	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2H+Na"	25.00377
"1264704"	194.120886	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+CH3OH+H"	33.033486
"386559"	361.137958	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+K"	38.963158
"751201"	522.225358	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+K"	38.963158
"1552159"	200.050558	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+K"	38.963158
"300954"	181.072617	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+H+K"	39.970434
"698116"	261.616317	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+H+K"	39.970434
"1457406"	100.528917	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H+K"	39.970434
"250261"	364.208626	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+ACN+H"	42.033826
"1216530"	203.121226	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+ACN+H"	42.033826
"1208435"	102.064251	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+ACN+2H"	43.041102
"203129"	367.14596	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+2Na-H"	44.97116
"642931"	528.23336	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+2Na-H"	44.97116
"1144737"	206.05856	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2Na-H"	44.97116
"186935"	184.076618	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+2Na"	45.978436
"626130"	264.620318	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+2Na"	45.978436
"1129638"	103.532918	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2Na"	45.978436
"1407329"	69.357704	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H+2Na"	46.985712
"1441269"	208.100146	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H+HCOOH"	47.012746
"226953"	189.10964	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+3H2O+2H"	56.04448
"1515016"	222.15219	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+IsoProp+H"	61.06479
"417256"	192.063588	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+Na+K"	61.952376
"775698"	272.607288	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+Na+K"	61.952376
"1676036"	111.519888	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Na+K"	61.952376
"256361"	386.190568	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+ACN+Na"	64.015768
"1230525"	225.103168	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+ACN+Na"	64.015768
"1716861"	225.126693	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+NH4+HCOOH"	64.039293
"1184404"	76.685018	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+3Na"	68.967654
"1653205"	230.082088	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Na+HCOOH"	68.994688
"158973"	399.09384	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+2K-H"	76.91904
"612551"	560.18124	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+2K-H"	76.91904
"1099089"	238.00644	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2K-H"	76.91904
"151895"	200.050558	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"2M+2K"	77.926316
"595714"	280.594258	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"3M+2K"	77.926316
"1083752"	119.506858	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2K"	77.926316
"1114527"	240.020992	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2K+H"	78.933592
"1348847"	240.108607	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+DMSO+H"	79.021207
"1019566"	244.147776	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2ACN+H"	83.060376
"1537692"	245.141408	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+IsoProp+Na+H"	84.054008
"1003045"	122.577526	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+2ACN+2H"	84.067652
"1601923"	246.056028	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+K+HCOOH"	84.968628
"1428677"	276.087538	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+H+CF3COOH"	115.000138
"1156779"	143.090801	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+3ACN+2H"	125.094202
"1709609"	293.114085	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+NH4+CF3COOH"	132.026685
"1645260"	298.06948	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+Na+CF3COOH"	136.98208
"1586382"	314.04342	"C19095"	"Ethiolate"	"C7H15NOS"	"161.0874"	"M+K+CF3COOH"	152.95602
"816025"	223.0256	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M"	0
"989437"	204.00721	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-H2O-H"	-19.01839
"76710"	147.676457333333	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M-3H"	-3.021828
"517001"	222.018324	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M-3H"	-3.021828
"892250"	73.3345906666667	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-3H"	-3.021828
"14226"	222.018324	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M-2H"	-2.014552
"454395"	333.531124	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M-2H"	-2.014552
"829641"	110.505524	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-2H"	-2.014552
"89634"	445.043924	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M-H"	-1.007276
"533694"	668.069524	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M-H"	-1.007276
"908091"	222.018324	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-H"	-1.007276
"60038"	462.070471	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M-2H+NH4"	16.019271
"500086"	685.096071	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M-2H+NH4"	16.019271
"876548"	239.044871	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-2H+NH4"	16.019271
"45788"	467.025866	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M-2H+Na"	20.974666
"480726"	690.051466	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M-2H+Na"	20.974666
"853062"	244.000266	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-2H+Na"	20.974666
"1621504"	244.000266	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Na-2H"	20.974666
"101314"	240.006663	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M-H+Cl"	33.962126
"539784"	351.519463	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M-H+Cl"	33.962126
"939859"	128.493863	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-H+Cl"	33.962126
"277325"	481.020602	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+Cl"	34.969402
"669748"	704.046202	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+Cl"	34.969402
"1286404"	257.995002	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Cl"	34.969402
"24708"	482.999806	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M-2H+K"	36.948606
"466458"	706.025406	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M-2H+K"	36.948606
"846448"	259.974206	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-2H+K"	36.948606
"1571032"	259.974206	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+K-2H"	36.948606
"957092"	268.023794	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-H+HCOOH"	44.998194
"373847"	491.049401	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+HCOOH-H"	44.998201
"355541"	505.065051	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+Hac-H"	59.013851
"1505832"	282.039451	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Hac-H"	59.013851
"968998"	290.005751	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-H+NaCOOH"	66.980151
"123011"	257.995002	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+2Cl"	69.938804
"559289"	369.507802	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+2Cl"	69.938804
"1035019"	146.482202	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2Cl"	69.938804
"1254964"	301.944485	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Br"	78.918885
"1316319"	304.000472	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Cl+HCOOH"	80.974872
"1332721"	325.982429	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Cl+NaCOOH"	102.956829
"923416"	336.011186	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M-H+CF3COOH"	112.985586
"1301584"	371.987864	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Cl+CF3COOH"	148.962264
"1380838"	188.012924	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H-2H2O"	-35.012676
"1393594"	206.0229	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H-H2O"	-17.0027
"288541"	447.058476	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+H"	1.007276
"685336"	670.084076	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+H"	1.007276
"1359497"	224.032876	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H"	1.007276
"131292"	224.032876	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+2H"	2.014552
"566963"	335.545676	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+2H"	2.014552
"1040746"	112.520076	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2H"	2.014552
"208647"	149.691009333333	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+3H"	3.021828
"647477"	224.032876	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+3H"	3.021828
"1176913"	75.3491426666667	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+3H"	3.021828
"438359"	464.085023	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+NH4"	18.033823
"800701"	687.110623	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+NH4"	18.033823
"1694963"	241.059423	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+NH4"	18.033823
"337408"	232.5461495	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+H+NH4"	19.041099
"733111"	344.0589495	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+H+NH4"	19.041099
"1491922"	121.0333495	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H+NH4"	19.041099
"407319"	469.040418	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+Na"	22.989218
"769612"	692.066018	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+Na"	22.989218
"1615804"	246.014818	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Na"	22.989218
"323656"	235.023847	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+H+Na"	23.996494
"719354"	346.536647	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+H+Na"	23.996494
"1470988"	123.511047	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H+Na"	23.996494
"1059858"	82.6764566666667	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2H+Na"	25.00377
"1263357"	256.059086	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+CH3OH+H"	33.033486
"383389"	485.014358	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+K"	38.963158
"747664"	708.039958	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+K"	38.963158
"1548623"	261.988758	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+K"	38.963158
"311639"	243.010817	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+H+K"	39.970434
"705522"	354.523617	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+H+K"	39.970434
"1460925"	131.498017	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H+K"	39.970434
"250254"	488.085026	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+ACN+H"	42.033826
"1224784"	265.059426	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+ACN+H"	42.033826
"1209154"	133.033351	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+ACN+2H"	43.041102
"203849"	491.02236	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+2Na-H"	44.97116
"642440"	714.04796	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+2Na-H"	44.97116
"1144853"	267.99676	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2Na-H"	44.97116
"186317"	246.014818	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+2Na"	45.978436
"626609"	357.527618	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+2Na"	45.978436
"1128291"	134.502018	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2Na"	45.978436
"1411452"	90.0037706666667	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H+2Na"	46.985712
"1444662"	270.038346	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H+HCOOH"	47.012746
"234357"	251.04784	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+3H2O+2H"	56.04448
"1519866"	284.09039	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+IsoProp+H"	61.06479
"422106"	254.001788	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+Na+K"	61.952376
"776902"	365.514588	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+Na+K"	61.952376
"1669951"	142.488988	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Na+K"	61.952376
"259754"	510.066968	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+ACN+Na"	64.015768
"1228815"	287.041368	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+ACN+Na"	64.015768
"1715882"	287.064893	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+NH4+HCOOH"	64.039293
"1182326"	97.3310846666667	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+3Na"	68.967654
"1653315"	292.020288	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Na+HCOOH"	68.994688
"160176"	522.97024	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+2K-H"	76.91904
"608487"	745.99584	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+2K-H"	76.91904
"1099691"	299.94464	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2K-H"	76.91904
"156017"	261.988758	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"2M+2K"	77.926316
"595826"	373.501558	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"3M+2K"	77.926316
"1083947"	150.475958	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2K"	77.926316
"1115539"	301.959192	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2K+H"	78.933592
"1351151"	302.046807	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+DMSO+H"	79.021207
"1021324"	306.085976	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2ACN+H"	83.060376
"1539836"	307.079608	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+IsoProp+Na+H"	84.054008
"1003156"	153.546626	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+2ACN+2H"	84.067652
"1602280"	307.994228	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+K+HCOOH"	84.968628
"1428791"	338.025738	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+H+CF3COOH"	115.000138
"1161264"	174.059901	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+3ACN+2H"	125.094202
"1711184"	355.052285	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+NH4+CF3COOH"	132.026685
"1645370"	360.00768	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+Na+CF3COOH"	136.98208
"1586492"	375.98162	"C19096"	"Sulfallate"	"C8H14ClNS2"	"223.0256"	"M+K+CF3COOH"	152.95602
"815765"	203.1344	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M"	0
"987113"	184.11601	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-H2O-H"	-19.01839
"76451"	134.415657333333	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M-3H"	-3.021828
"514560"	202.127124	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M-3H"	-3.021828
"894307"	66.7041906666667	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-3H"	-3.021828
"14340"	202.127124	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M-2H"	-2.014552
"451951"	303.694324	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M-2H"	-2.014552
"830846"	100.559924	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-2H"	-2.014552
"90838"	405.261524	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M-H"	-1.007276
"532344"	608.395924	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M-H"	-1.007276
"908813"	202.127124	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-H"	-1.007276
"60639"	422.288071	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M-2H+NH4"	16.019271
"500319"	625.422471	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M-2H+NH4"	16.019271
"877390"	219.153671	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-2H+NH4"	16.019271
"41279"	427.243466	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M-2H+Na"	20.974666
"479746"	630.377866	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M-2H+Na"	20.974666
"856456"	224.109066	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-2H+Na"	20.974666
"1621248"	224.109066	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Na-2H"	20.974666
"103615"	220.115463	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M-H+Cl"	33.962126
"547796"	321.682663	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M-H+Cl"	33.962126
"938879"	118.548263	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-H+Cl"	33.962126
"278530"	441.238202	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+Cl"	34.969402
"666577"	644.372602	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+Cl"	34.969402
"1277887"	238.103802	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Cl"	34.969402
"21539"	443.217406	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M-2H+K"	36.948606
"458910"	646.351806	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M-2H+K"	36.948606
"839992"	240.083006	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-2H+K"	36.948606
"1567857"	240.083006	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+K-2H"	36.948606
"956832"	248.132594	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-H+HCOOH"	44.998194
"370675"	451.267001	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+HCOOH-H"	44.998201
"357838"	465.282651	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+Hac-H"	59.013851
"1500109"	262.148251	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Hac-H"	59.013851
"966556"	270.114551	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-H+NaCOOH"	66.980151
"115463"	238.103802	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+2Cl"	69.938804
"562678"	339.671002	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+2Cl"	69.938804
"1034400"	136.536602	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2Cl"	69.938804
"1253984"	282.053285	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Br"	78.918885
"1316067"	284.109272	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Cl+HCOOH"	80.974872
"1331012"	306.091229	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Cl+NaCOOH"	102.956829
"922434"	316.119986	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M-H+CF3COOH"	112.985586
"1299871"	352.096664	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Cl+CF3COOH"	148.962264
"1378398"	168.121724	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H-2H2O"	-35.012676
"1393339"	186.1317	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H-H2O"	-17.0027
"286464"	407.276076	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+H"	1.007276
"685446"	610.410476	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+H"	1.007276
"1361795"	204.141676	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H"	1.007276
"136870"	204.141676	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+2H"	2.014552
"568774"	305.708876	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+2H"	2.014552
"1043043"	102.574476	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2H"	2.014552
"210944"	136.430209333333	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+3H"	3.021828
"650506"	204.141676	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+3H"	3.021828
"1177263"	68.7187426666667	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+3H"	3.021828
"438469"	424.302623	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+NH4"	18.033823
"800202"	627.437023	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+NH4"	18.033823
"1693614"	221.168223	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+NH4"	18.033823
"337517"	212.6549495	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+H+NH4"	19.041099
"734313"	314.2221495	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+H+NH4"	19.041099
"1491420"	111.0877495	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H+NH4"	19.041099
"406455"	429.258018	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+Na"	22.989218
"767815"	632.392418	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+Na"	22.989218
"1614820"	226.123618	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Na"	22.989218
"325950"	215.132647	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+H+Na"	23.996494
"712903"	316.699847	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+H+Na"	23.996494
"1467818"	113.565447	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H+Na"	23.996494
"1059966"	76.0460566666667	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2H+Na"	25.00377
"1262738"	236.167886	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+CH3OH+H"	33.033486
"382406"	445.231958	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+K"	38.963158
"746681"	648.366358	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+K"	38.963158
"1553836"	242.097558	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+K"	38.963158
"307007"	223.119617	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+H+K"	39.970434
"705871"	324.686817	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+H+K"	39.970434
"1460670"	121.552417	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H+K"	39.970434
"250732"	448.302626	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+ACN+H"	42.033826
"1225139"	245.168226	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+ACN+H"	42.033826
"1209265"	123.087751	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+ACN+2H"	43.041102
"202990"	451.23996	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+2Na-H"	44.97116
"643278"	654.37436	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+2Na-H"	44.97116
"1144600"	248.10556	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2Na-H"	44.97116
"185704"	226.123618	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+2Na"	45.978436
"626722"	327.690818	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+2Na"	45.978436
"1129133"	124.556418	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2Na"	45.978436
"1411197"	83.3733706666667	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H+2Na"	46.985712
"1442951"	250.147146	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H+HCOOH"	47.012746
"232645"	231.15664	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+3H2O+2H"	56.04448
"1523136"	264.19919	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+IsoProp+H"	61.06479
"422217"	234.110588	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+Na+K"	61.952376
"781752"	335.677788	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+Na+K"	61.952376
"1676988"	132.543388	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Na+K"	61.952376
"262053"	470.284568	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+ACN+Na"	64.015768
"1234028"	267.150168	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+ACN+Na"	64.015768
"1718176"	267.173693	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+NH4+HCOOH"	64.039293
"1185716"	90.7006846666667	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+3Na"	68.967654
"1657798"	272.129088	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Na+HCOOH"	68.994688
"164658"	483.18784	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+2K-H"	76.91904
"603129"	686.32224	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+2K-H"	76.91904
"1087642"	280.05344	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2K-H"	76.91904
"149926"	242.097558	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"2M+2K"	77.926316
"595936"	343.664758	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"3M+2K"	77.926316
"1084103"	140.530358	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2K"	77.926316
"1114752"	282.067992	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2K+H"	78.933592
"1351180"	282.155607	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+DMSO+H"	79.021207
"1021131"	286.194776	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2ACN+H"	83.060376
"1539379"	287.188408	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+IsoProp+Na+H"	84.054008
"1005339"	143.601026	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+2ACN+2H"	84.067652
"1602595"	288.103028	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+K+HCOOH"	84.968628
"1427808"	318.134538	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+H+CF3COOH"	115.000138
"1161741"	164.114301	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+3ACN+2H"	125.094202
"1712264"	335.161085	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+NH4+CF3COOH"	132.026685
"1645480"	340.11648	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+Na+CF3COOH"	136.98208
"1586602"	356.09042	"C19097"	"Vernolate"	"C10H21NOS"	"203.1344"	"M+K+CF3COOH"	152.95602
"815875"	211.1433	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M"	0
"980659"	192.12491	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-H2O-H"	-19.01839
"76557"	139.754924	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M-3H"	-3.021828
"515763"	210.136024	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M-3H"	-3.021828
"892835"	69.373824	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-3H"	-3.021828
"15379"	210.136024	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M-2H"	-2.014552
"450967"	315.707674	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M-2H"	-2.014552
"829862"	104.564374	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-2H"	-2.014552
"89855"	421.279324	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M-H"	-1.007276
"530510"	632.422624	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M-H"	-1.007276
"910989"	210.136024	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-H"	-1.007276
"61476"	438.305871	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M-2H+NH4"	16.019271
"502132"	649.449171	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M-2H+NH4"	16.019271
"878472"	227.162571	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-2H+NH4"	16.019271
"42483"	443.261266	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M-2H+Na"	20.974666
"480950"	654.404566	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M-2H+Na"	20.974666
"855473"	232.117966	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-2H+Na"	20.974666
"1625007"	232.117966	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Na-2H"	20.974666
"103725"	228.124363	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M-H+Cl"	33.962126
"547908"	333.696013	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M-H+Cl"	33.962126
"938989"	122.552713	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-H+Cl"	33.962126
"278640"	457.256002	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+Cl"	34.969402
"669968"	668.399302	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+Cl"	34.969402
"1281278"	246.112702	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Cl"	34.969402
"27117"	459.235206	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M-2H+K"	36.948606
"464488"	670.378506	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M-2H+K"	36.948606
"843383"	248.091906	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-2H+K"	36.948606
"1567967"	248.091906	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+K-2H"	36.948606
"952570"	256.141494	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-H+HCOOH"	44.998194
"365317"	467.284801	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+HCOOH-H"	44.998201
"352480"	481.300451	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+Hac-H"	59.013851
"1500218"	270.157151	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Hac-H"	59.013851
"961199"	278.123451	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-H+NaCOOH"	66.980151
"114478"	246.112702	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+2Cl"	69.938804
"554040"	351.684352	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+2Cl"	69.938804
"1033417"	140.541052	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2Cl"	69.938804
"1253363"	290.062185	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Br"	78.918885
"1315811"	292.118172	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Cl+HCOOH"	80.974872
"1330757"	314.100129	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Cl+NaCOOH"	102.956829
"921815"	324.128886	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M-H+CF3COOH"	112.985586
"1298889"	360.105564	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Cl+CF3COOH"	148.962264
"1377779"	176.130624	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H-2H2O"	-35.012676
"1393814"	194.1406	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H-H2O"	-17.0027
"286574"	423.293876	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+H"	1.007276
"681182"	634.437176	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+H"	1.007276
"1361905"	212.150576	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H"	1.007276
"136616"	212.150576	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+2H"	2.014552
"569249"	317.722226	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+2H"	2.014552
"1044246"	106.578926	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2H"	2.014552
"211054"	141.769476	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+3H"	3.021828
"647699"	212.150576	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+3H"	3.021828
"1176400"	71.388376	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+3H"	3.021828
"438579"	440.320423	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+NH4"	18.033823
"798855"	651.463723	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+NH4"	18.033823
"1692996"	229.177123	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+NH4"	18.033823
"339816"	220.6638495	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+H+NH4"	19.041099
"737344"	326.2354995	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+H+NH4"	19.041099
"1491529"	115.0921995	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H+NH4"	19.041099
"405836"	445.275818	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+Na"	22.989218
"769666"	656.419118	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+Na"	22.989218
"1612744"	234.132518	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Na"	22.989218
"323873"	223.141547	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+H+Na"	23.996494
"713013"	328.713197	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+H+Na"	23.996494
"1466834"	117.569897	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H+Na"	23.996494
"1057890"	78.71569	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2H+Na"	25.00377
"1261755"	244.176786	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+CH3OH+H"	33.033486
"381422"	461.249758	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+K"	38.963158
"744604"	672.393058	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+K"	38.963158
"1554310"	250.106458	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+K"	38.963158
"304202"	231.128517	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+H+K"	39.970434
"705738"	336.700167	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+H+K"	39.970434
"1460945"	125.556867	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H+K"	39.970434
"250716"	464.320426	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+ACN+H"	42.033826
"1224030"	253.177126	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+ACN+H"	42.033826
"1208886"	127.092201	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+ACN+2H"	43.041102
"203461"	467.25776	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+2Na-H"	44.97116
"643386"	678.40106	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+2Na-H"	44.97116
"1145435"	256.11446	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2Na-H"	44.97116
"186902"	234.132518	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+2Na"	45.978436
"627317"	339.704168	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+2Na"	45.978436
"1128875"	128.560868	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2Na"	45.978436
"1412401"	86.043004	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H+2Na"	46.985712
"1443425"	258.156046	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H+HCOOH"	47.012746
"232024"	239.16554	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+3H2O+2H"	56.04448
"1520813"	272.20809	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+IsoProp+H"	61.06479
"419044"	242.119488	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+Na+K"	61.952376
"780402"	347.691138	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+Na+K"	61.952376
"1677461"	136.547838	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Na+K"	61.952376
"263255"	486.302368	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+ACN+Na"	64.015768
"1232680"	275.159068	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+ACN+Na"	64.015768
"1717193"	275.182593	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+NH4+HCOOH"	64.039293
"1185827"	93.370318	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+3Na"	68.967654
"1655722"	280.137988	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Na+HCOOH"	68.994688
"162582"	499.20564	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+2K-H"	76.91904
"599959"	710.34894	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+2K-H"	76.91904
"1087752"	288.06234	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2K-H"	76.91904
"148943"	250.106458	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"2M+2K"	77.926316
"596530"	355.678108	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"3M+2K"	77.926316
"1083924"	144.534808	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2K"	77.926316
"1115309"	290.076892	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2K+H"	78.933592
"1350886"	290.164507	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+DMSO+H"	79.021207
"1020997"	294.203676	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2ACN+H"	83.060376
"1539367"	295.197308	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+IsoProp+Na+H"	84.054008
"1005084"	147.605476	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+2ACN+2H"	84.067652
"1602503"	296.111928	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+K+HCOOH"	84.968628
"1428282"	326.143438	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+H+CF3COOH"	115.000138
"1162215"	168.118751	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+3ACN+2H"	125.094202
"1712375"	343.169985	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+NH4+CF3COOH"	132.026685
"1645590"	348.12538	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+Na+CF3COOH"	136.98208
"1586712"	364.09932	"C19098"	"Atraton"	"C9H17N5O"	"211.1433"	"M+K+CF3COOH"	152.95602
"807237"	225.0797	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M"	0
"979675"	206.06131	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-H2O-H"	-19.01839
"76667"	149.045857333333	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M-3H"	-3.021828
"514041"	224.072424	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M-3H"	-3.021828
"895457"	74.0192906666667	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-3H"	-3.021828
"14803"	224.072424	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M-2H"	-2.014552
"453995"	336.612274	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M-2H"	-2.014552
"831066"	111.532574	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-2H"	-2.014552
"88871"	449.152124	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M-H"	-1.007276
"530620"	674.231824	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M-H"	-1.007276
"908790"	224.072424	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-H"	-1.007276
"60616"	466.178671	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M-2H+NH4"	16.019271
"500905"	691.258371	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M-2H+NH4"	16.019271
"879067"	241.098971	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-2H+NH4"	16.019271
"43686"	471.134066	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M-2H+Na"	20.974666
"476688"	696.213766	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M-2H+Na"	20.974666
"854490"	246.054366	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-2H+Na"	20.974666
"1628399"	246.054366	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Na-2H"	20.974666
"108575"	242.060763	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M-H+Cl"	33.962126
"547411"	354.600613	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M-H+Cl"	33.962126
"940557"	129.520913	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-H+Cl"	33.962126
"279479"	485.128802	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+Cl"	34.969402
"671901"	710.208502	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+Cl"	34.969402
"1278108"	260.049102	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Cl"	34.969402
"22854"	487.108006	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M-2H+K"	36.948606
"459131"	712.187706	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M-2H+K"	36.948606
"841308"	262.028306	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-2H+K"	36.948606
"1565891"	262.028306	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+K-2H"	36.948606
"951586"	270.077894	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-H+HCOOH"	44.998194
"367614"	495.157601	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+HCOOH-H"	44.998201
"352590"	509.173251	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+Hac-H"	59.013851
"1500328"	284.093551	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Hac-H"	59.013851
"961309"	292.059851	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-H+NaCOOH"	66.980151
"115681"	260.049102	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+2Cl"	69.938804
"554150"	372.588952	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+2Cl"	69.938804
"1025137"	147.509252	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2Cl"	69.938804
"1254200"	303.998585	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Br"	78.918885
"1315919"	306.054572	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Cl+HCOOH"	80.974872
"1332690"	328.036529	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Cl+NaCOOH"	102.956829
"923018"	338.065286	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M-H+CF3COOH"	112.985586
"1298999"	374.041964	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Cl+CF3COOH"	148.962264
"1377889"	190.067024	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H-2H2O"	-35.012676
"1394288"	208.077	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H-H2O"	-17.0027
"288871"	451.166676	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+H"	1.007276
"682385"	676.246376	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+H"	1.007276
"1362744"	226.086976	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H"	1.007276
"137091"	226.086976	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+2H"	2.014552
"567536"	338.626826	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+2H"	2.014552
"1041076"	113.547126	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2H"	2.014552
"208977"	151.060409333333	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+3H"	3.021828
"646716"	226.086976	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+3H"	3.021828
"1176510"	76.0338426666667	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+3H"	3.021828
"438568"	468.193223	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+NH4"	18.033823
"799687"	693.272923	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+NH4"	18.033823
"1694198"	243.113523	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+NH4"	18.033823
"339927"	234.6002495	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+H+NH4"	19.041099
"734532"	347.1400995	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+H+NH4"	19.041099
"1483983"	122.0603995	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H+NH4"	19.041099
"402662"	473.148618	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+Na"	22.989218
"766938"	698.228318	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+Na"	22.989218
"1617955"	248.068918	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Na"	22.989218
"323983"	237.077947	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+H+Na"	23.996494
"713123"	349.617797	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+H+Na"	23.996494
"1466945"	124.538097	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H+Na"	23.996494
"1056908"	83.3611566666667	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2H+Na"	25.00377
"1265145"	258.113186	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+CH3OH+H"	33.033486
"381532"	489.122558	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+K"	38.963158
"744715"	714.202258	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+K"	38.963158
"1553327"	264.042858	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+K"	38.963158
"303948"	245.064917	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+H+K"	39.970434
"704391"	357.604767	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+H+K"	39.970434
"1460402"	132.525067	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H+K"	39.970434
"248639"	492.193226	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+ACN+H"	42.033826
"1224870"	267.113526	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+ACN+H"	42.033826
"1208026"	134.060401	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+ACN+2H"	43.041102
"201385"	495.13056	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+2Na-H"	44.97116
"642771"	720.21026	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+2Na-H"	44.97116
"1145185"	270.05086	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2Na-H"	44.97116
"185189"	248.068918	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+2Na"	45.978436
"626817"	360.608768	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+2Na"	45.978436
"1126798"	135.529068	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2Na"	45.978436
"1411418"	90.6884706666667	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H+2Na"	46.985712
"1444265"	272.092446	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H+HCOOH"	47.012746
"233229"	253.10194	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+3H2O+2H"	56.04448
"1520561"	286.14449	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+IsoProp+H"	61.06479
"419883"	256.055888	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+Na+K"	61.952376
"780512"	368.595738	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+Na+K"	61.952376
"1676842"	143.516038	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Na+K"	61.952376
"263366"	514.175168	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+ACN+Na"	64.015768
"1233884"	289.095468	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+ACN+Na"	64.015768
"1716212"	289.118993	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+NH4+HCOOH"	64.039293
"1184845"	98.0157846666667	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+3Na"	68.967654
"1660207"	294.074388	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Na+HCOOH"	68.994688
"168161"	527.07844	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+2K-H"	76.91904
"601162"	752.15814	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+2K-H"	76.91904
"1094423"	301.99874	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2K-H"	76.91904
"149053"	264.042858	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"2M+2K"	77.926316
"596891"	376.582708	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"3M+2K"	77.926316
"1083952"	151.503008	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2K"	77.926316
"1115296"	304.013292	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2K+H"	78.933592
"1351296"	304.100907	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+DMSO+H"	79.021207
"1020869"	308.140076	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2ACN+H"	83.060376
"1538864"	309.133708	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+IsoProp+Na+H"	84.054008
"1005071"	154.573676	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+2ACN+2H"	84.067652
"1602004"	310.048328	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+K+HCOOH"	84.968628
"1428515"	340.079838	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+H+CF3COOH"	115.000138
"1161597"	175.086951	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+3ACN+2H"	125.094202
"1708962"	357.106385	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+NH4+CF3COOH"	132.026685
"1649352"	362.06178	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+Na+CF3COOH"	136.98208
"1586822"	378.03572	"C19099"	"Aziprotryne"	"C7H11N7S"	"225.0797"	"M+K+CF3COOH"	152.95602
"807347"	213.1048	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M"	0
"979785"	194.08641	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-H2O-H"	-19.01839
"75684"	141.062590666667	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M-3H"	-3.021828
"513058"	212.097524	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M-3H"	-3.021828
"891955"	70.0276573333333	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-3H"	-3.021828
"14789"	212.097524	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M-2H"	-2.014552
"451189"	318.649924	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M-2H"	-2.014552
"831907"	105.545124	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-2H"	-2.014552
"90804"	425.202324	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M-H"	-1.007276
"532917"	638.307124	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M-H"	-1.007276
"908174"	212.097524	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-H"	-1.007276
"59997"	442.228871	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M-2H+NH4"	16.019271
"498828"	655.333671	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M-2H+NH4"	16.019271
"878692"	229.124071	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-2H+NH4"	16.019271
"43797"	447.184266	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M-2H+Na"	20.974666
"480077"	660.289066	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M-2H+Na"	20.974666
"851320"	234.079466	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-2H+Na"	20.974666
"1626322"	234.079466	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Na-2H"	20.974666
"106133"	230.085863	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M-H+Cl"	33.962126
"548248"	336.638263	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M-H+Cl"	33.962126
"939208"	123.533463	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-H+Cl"	33.962126
"278860"	461.179002	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+Cl"	34.969402
"672740"	674.283802	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+Cl"	34.969402
"1285873"	248.074202	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Cl"	34.969402
"25151"	463.158206	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M-2H+K"	36.948606
"464710"	676.263006	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M-2H+K"	36.948606
"842512"	250.053406	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-2H+K"	36.948606
"1571080"	250.053406	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+K-2H"	36.948606
"956070"	258.102994	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-H+HCOOH"	44.998194
"371004"	471.207801	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+HCOOH-H"	44.998201
"352700"	485.223451	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+Hac-H"	59.013851
"1500438"	272.118651	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Hac-H"	59.013851
"963605"	280.084951	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-H+NaCOOH"	66.980151
"114698"	248.074202	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+2Cl"	69.938804
"554260"	354.626602	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+2Cl"	69.938804
"1026340"	141.521802	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2Cl"	69.938804
"1255403"	292.023685	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Br"	78.918885
"1318582"	294.079672	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Cl+HCOOH"	80.974872
"1333893"	316.061629	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Cl+NaCOOH"	102.956829
"925315"	326.090386	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M-H+CF3COOH"	112.985586
"1300202"	362.067064	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Cl+CF3COOH"	148.962264
"1380551"	178.092124	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H-2H2O"	-35.012676
"1394762"	196.1021	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H-H2O"	-17.0027
"290074"	427.216876	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+H"	1.007276
"682495"	640.321676	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+H"	1.007276
"1362854"	214.112076	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H"	1.007276
"136836"	214.112076	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+2H"	2.014552
"567036"	320.664476	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+2H"	2.014552
"1042279"	107.559676	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2H"	2.014552
"210180"	143.077142666667	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+3H"	3.021828
"647189"	214.112076	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+3H"	3.021828
"1174433"	72.0422093333333	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+3H"	3.021828
"436248"	444.243423	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+NH4"	18.033823
"799072"	657.348223	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+NH4"	18.033823
"1694308"	231.138623	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+NH4"	18.033823
"341860"	222.6253495	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+H+NH4"	19.041099
"734643"	329.1777495	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+H+NH4"	19.041099
"1489197"	116.0729495	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H+NH4"	19.041099
"404596"	449.198818	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+Na"	22.989218
"764862"	662.303618	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+Na"	22.989218
"1614788"	236.094018	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Na"	22.989218
"323365"	225.103047	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+H+Na"	23.996494
"716881"	331.655447	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+H+Na"	23.996494
"1470330"	118.550647	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H+Na"	23.996494
"1056289"	79.3695233333333	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2H+Na"	25.00377
"1259790"	246.138286	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+CH3OH+H"	33.033486
"379456"	465.172758	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+K"	38.963158
"742640"	678.277558	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+K"	38.963158
"1545784"	252.067958	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+K"	38.963158
"302965"	233.090017	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+H+K"	39.970434
"705473"	339.642417	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+H+K"	39.970434
"1459053"	126.537617	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H+K"	39.970434
"249479"	468.243426	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+ACN+H"	42.033826
"1225102"	255.138626	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+ACN+H"	42.033826
"1208622"	128.072951	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+ACN+2H"	43.041102
"202953"	471.18076	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+2Na-H"	44.97116
"640689"	684.28556	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+2Na-H"	44.97116
"1145651"	258.07596	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2Na-H"	44.97116
"186756"	236.094018	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+2Na"	45.978436
"625223"	342.646418	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+2Na"	45.978436
"1124350"	129.541618	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2Na"	45.978436
"1408968"	86.6968373333333	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H+2Na"	46.985712
"1444010"	260.117546	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H+HCOOH"	47.012746
"231880"	241.12704	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+3H2O+2H"	56.04448
"1515566"	274.16959	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+IsoProp+H"	61.06479
"419993"	244.080988	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+Na+K"	61.952376
"779529"	350.633388	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+Na+K"	61.952376
"1672578"	137.528588	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Na+K"	61.952376
"264204"	490.225368	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+ACN+Na"	64.015768
"1232901"	277.120568	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+ACN+Na"	64.015768
"1720696"	277.144093	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+NH4+HCOOH"	64.039293
"1184956"	94.0241513333333	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+3Na"	68.967654
"1657038"	282.099488	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Na+HCOOH"	68.994688
"168271"	503.12864	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+2K-H"	76.91904
"599084"	716.23344	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+2K-H"	76.91904
"1087972"	290.02384	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2K-H"	76.91904
"149164"	252.067958	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"2M+2K"	77.926316
"597003"	358.620358	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"3M+2K"	77.926316
"1084163"	145.515558	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2K"	77.926316
"1115516"	292.038392	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2K+H"	78.933592
"1350741"	292.126007	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+DMSO+H"	79.021207
"1021058"	296.165176	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2ACN+H"	83.060376
"1539840"	297.158808	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+IsoProp+Na+H"	84.054008
"1004331"	148.586226	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+2ACN+2H"	84.067652
"1602238"	298.073428	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+K+HCOOH"	84.968628
"1429476"	328.104938	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+H+CF3COOH"	115.000138
"1160613"	169.099501	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+3ACN+2H"	125.094202
"1711866"	345.131485	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+NH4+CF3COOH"	132.026685
"1649462"	350.08688	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+Na+CF3COOH"	136.98208
"1586932"	366.06082	"C19100"	"Desmetryn"	"C8H15N5S"	"213.1048"	"M+K+CF3COOH"	152.95602
"807457"	255.1518	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M"	0
"978802"	236.13341	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-H2O-H"	-19.01839
"75794"	169.093924	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M-3H"	-3.021828
"513168"	254.144524	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M-3H"	-3.021828
"887689"	84.043324	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-3H"	-3.021828
"13559"	254.144524	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M-2H"	-2.014552
"453854"	381.720424	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M-2H"	-2.014552
"830193"	126.568624	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-2H"	-2.014552
"90185"	509.296324	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M-H"	-1.007276
"530840"	764.448124	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M-H"	-1.007276
"904273"	254.144524	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-H"	-1.007276
"56462"	526.322871	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M-2H+NH4"	16.019271
"494928"	781.474671	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M-2H+NH4"	16.019271
"873819"	271.171071	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-2H+NH4"	16.019271
"39533"	531.278266	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M-2H+Na"	20.974666
"471844"	786.430066	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M-2H+Na"	20.974666
"850337"	276.126466	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-2H+Na"	20.974666
"1626432"	276.126466	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Na-2H"	20.974666
"106972"	272.132863	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M-H+Cl"	33.962126
"545806"	399.708763	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M-H+Cl"	33.962126
"938224"	144.556963	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-H+Cl"	33.962126
"278970"	545.273002	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+Cl"	34.969402
"670298"	800.424802	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+Cl"	34.969402
"1283798"	290.121202	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Cl"	34.969402
"24168"	547.252206	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M-2H+K"	36.948606
"464820"	802.404006	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M-2H+K"	36.948606
"842622"	292.100406	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-2H+K"	36.948606
"1566114"	292.100406	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+K-2H"	36.948606
"955087"	300.149994	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-H+HCOOH"	44.998194
"371114"	555.301801	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+HCOOH-H"	44.998201
"349530"	569.317451	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+Hac-H"	59.013851
"1500548"	314.165651	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Hac-H"	59.013851
"963715"	322.131951	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-H+NaCOOH"	66.980151
"112985"	290.121202	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+2Cl"	69.938804
"552547"	417.697102	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+2Cl"	69.938804
"1023170"	162.545302	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2Cl"	69.938804
"1255150"	334.070685	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Br"	78.918885
"1318327"	336.126672	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Cl+HCOOH"	80.974872
"1335338"	358.108629	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Cl+NaCOOH"	102.956829
"925789"	368.137386	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M-H+CF3COOH"	112.985586
"1302134"	404.114064	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Cl+CF3COOH"	148.962264
"1381875"	220.139124	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H-2H2O"	-35.012676
"1394508"	238.1491	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H-H2O"	-17.0027
"289091"	511.310876	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+H"	1.007276
"682605"	766.462676	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+H"	1.007276
"1362235"	256.159076	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H"	1.007276
"136217"	256.159076	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+2H"	2.014552
"566661"	383.734976	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+2H"	2.014552
"1042389"	128.583176	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2H"	2.014552
"210290"	171.108476	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+3H"	3.021828
"646203"	256.159076	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+3H"	3.021828
"1174543"	86.057876	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+3H"	3.021828
"436358"	528.337423	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+NH4"	18.033823
"799183"	783.489223	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+NH4"	18.033823
"1694417"	273.185623	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+NH4"	18.033823
"342699"	264.6723495	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+H+NH4"	19.041099
"734753"	392.2482495	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+H+NH4"	19.041099
"1487483"	137.0964495	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H+NH4"	19.041099
"405070"	533.292818	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+Na"	22.989218
"766066"	788.444618	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+Na"	22.989218
"1616963"	278.141018	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Na"	22.989218
"327486"	267.150047	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+H+Na"	23.996494
"716262"	394.725947	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+H+Na"	23.996494
"1471175"	139.574147	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H+Na"	23.996494
"1056035"	93.38519	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2H+Na"	25.00377
"1260993"	288.185286	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+CH3OH+H"	33.033486
"381754"	549.266758	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+K"	38.963158
"742750"	804.418558	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+K"	38.963158
"1545894"	294.114958	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+K"	38.963158
"304168"	275.137017	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+H+K"	39.970434
"702788"	402.712917	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+H+K"	39.970434
"1457706"	147.561117	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H+K"	39.970434
"245578"	552.337426	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+ACN+H"	42.033826
"1221564"	297.185626	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+ACN+H"	42.033826
"1208363"	149.096451	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+ACN+2H"	43.041102
"202816"	555.27476	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+2Na-H"	44.97116
"641886"	810.42656	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+2Na-H"	44.97116
"1143568"	300.12296	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2Na-H"	44.97116
"183581"	278.141018	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+2Na"	45.978436
"622046"	405.716918	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+2Na"	45.978436
"1122269"	150.565118	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2Na"	45.978436
"1406889"	100.712504	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H+2Na"	46.985712
"1440104"	302.164546	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H+HCOOH"	47.012746
"227612"	283.17404	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+3H2O+2H"	56.04448
"1516767"	316.21659	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+IsoProp+H"	61.06479
"412081"	286.127988	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+Na+K"	61.952376
"779637"	413.703888	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+Na+K"	61.952376
"1669406"	158.552088	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Na+K"	61.952376
"258115"	574.319368	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+ACN+Na"	64.015768
"1229729"	319.167568	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+ACN+Na"	64.015768
"1714240"	319.191093	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+NH4+HCOOH"	64.039293
"1183970"	108.039818	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+3Na"	68.967654
"1653862"	324.146488	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Na+HCOOH"	68.994688
"162911"	587.22264	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+2K-H"	76.91904
"598217"	842.37444	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+2K-H"	76.91904
"1088080"	332.07084	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2K-H"	76.91904
"149274"	294.114958	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"2M+2K"	77.926316
"596743"	421.690858	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"3M+2K"	77.926316
"1081005"	166.539058	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2K"	77.926316
"1110933"	334.085392	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2K+H"	78.933592
"1349511"	334.173007	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+DMSO+H"	79.021207
"1020347"	338.212176	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2ACN+H"	83.060376
"1539844"	339.205808	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+IsoProp+Na+H"	84.054008
"1002611"	169.609726	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+2ACN+2H"	84.067652
"1601490"	340.120428	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+K+HCOOH"	84.968628
"1426055"	370.151938	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+H+CF3COOH"	115.000138
"1159623"	190.123001	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+3ACN+2H"	125.094202
"1708080"	387.178485	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+NH4+CF3COOH"	132.026685
"1639357"	392.13388	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+Na+CF3COOH"	136.98208
"1577200"	408.10782	"C19101"	"Dipropetryn"	"C11H21N5S"	"255.1518"	"M+K+CF3COOH"	152.95602
"807567"	231.0523	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M"	0
"978912"	212.03391	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-H2O-H"	-19.01839
"73716"	153.027590666667	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M-3H"	-3.021828
"516559"	230.045024	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M-3H"	-3.021828
"891079"	76.0101573333333	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-3H"	-3.021828
"15372"	230.045024	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M-2H"	-2.014552
"453597"	345.571174	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M-2H"	-2.014552
"829939"	114.518874	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-2H"	-2.014552
"89202"	461.097324	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M-H"	-1.007276
"529856"	692.149624	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M-H"	-1.007276
"905112"	230.045024	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-H"	-1.007276
"55478"	478.123871	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M-2H+NH4"	16.019271
"498318"	709.176171	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M-2H+NH4"	16.019271
"872836"	247.071571	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-2H+NH4"	16.019271
"39643"	483.079266	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M-2H+Na"	20.974666
"473371"	714.131566	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M-2H+Na"	20.974666
"852633"	252.026966	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-2H+Na"	20.974666
"1624355"	252.026966	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Na-2H"	20.974666
"100884"	248.033363	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M-H+Cl"	33.962126
"548100"	363.559513	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M-H+Cl"	33.962126
"941251"	132.507213	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-H+Cl"	33.962126
"279447"	497.074002	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+Cl"	34.969402
"671867"	728.126302	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+Cl"	34.969402
"1284274"	266.021702	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Cl"	34.969402
"26466"	499.053206	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M-2H+K"	36.948606
"467846"	730.105506	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M-2H+K"	36.948606
"843825"	268.000906	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-2H+K"	36.948606
"1565130"	268.000906	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+K-2H"	36.948606
"954103"	276.050494	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-H+HCOOH"	44.998194
"371224"	507.102801	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+HCOOH-H"	44.998201
"351461"	521.118451	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+Hac-H"	59.013851
"1502845"	290.066151	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Hac-H"	59.013851
"962732"	298.032451	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-H+NaCOOH"	66.980151
"113825"	266.021702	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+2Cl"	69.938804
"551319"	381.547852	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+2Cl"	69.938804
"1023644"	150.495552	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2Cl"	69.938804
"1249421"	309.971185	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Br"	78.918885
"1312964"	312.027172	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Cl+HCOOH"	80.974872
"1334471"	334.009129	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Cl+NaCOOH"	102.956829
"926628"	344.037886	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M-H+CF3COOH"	112.985586
"1303337"	380.014564	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Cl+CF3COOH"	148.962264
"1382107"	196.039624	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H-2H2O"	-35.012676
"1397170"	214.0496	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H-H2O"	-17.0027
"292481"	463.111876	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+H"	1.007276
"684903"	694.164176	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+H"	1.007276
"1365992"	232.059576	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H"	1.007276
"138515"	232.059576	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+2H"	2.014552
"567137"	347.585726	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+2H"	2.014552
"1042499"	116.533426	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2H"	2.014552
"210400"	155.042142666667	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+3H"	3.021828
"647042"	232.059576	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+3H"	3.021828
"1173560"	78.0247093333333	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+3H"	3.021828
"434282"	480.138423	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+NH4"	18.033823
"800747"	711.190723	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+NH4"	18.033823
"1694890"	249.086123	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+NH4"	18.033823
"343902"	240.5728495	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+H+NH4"	19.041099
"735593"	356.0989995	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+H+NH4"	19.041099
"1489779"	125.0466995	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H+NH4"	19.041099
"405180"	485.093818	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+Na"	22.989218
"767270"	716.146118	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+Na"	22.989218
"1617195"	254.041518	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Na"	22.989218
"326503"	243.050547	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+H+Na"	23.996494
"716736"	358.576697	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+H+Na"	23.996494
"1472743"	127.524397	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H+Na"	23.996494
"1057237"	85.3520233333333	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2H+Na"	25.00377
"1260371"	264.085786	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+CH3OH+H"	33.033486
"385143"	501.067758	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+K"	38.963158
"746140"	732.120058	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+K"	38.963158
"1544911"	270.015458	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+K"	38.963158
"303181"	251.037517	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+H+K"	39.970434
"702895"	366.563667	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+H+K"	39.970434
"1452709"	135.511367	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H+K"	39.970434
"249696"	504.138426	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+ACN+H"	42.033826
"1225077"	273.086126	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+ACN+H"	42.033826
"1205557"	137.046701	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+ACN+2H"	43.041102
"201343"	507.07576	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+2Na-H"	44.97116
"642238"	738.12806	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+2Na-H"	44.97116
"1140398"	276.02346	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2Na-H"	44.97116
"179311"	254.041518	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+2Na"	45.978436
"618872"	369.567668	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+2Na"	45.978436
"1120192"	138.515368	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2Na"	45.978436
"1402981"	92.6793373333333	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H+2Na"	46.985712
"1439117"	278.065046	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H+HCOOH"	47.012746
"234527"	259.07454	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+3H2O+2H"	56.04448
"1517970"	292.11709	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+IsoProp+H"	61.06479
"414377"	262.028488	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+Na+K"	61.952376
"776467"	377.554638	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+Na+K"	61.952376
"1670609"	146.502338	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Na+K"	61.952376
"259319"	526.120368	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+ACN+Na"	64.015768
"1229840"	295.068068	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+ACN+Na"	64.015768
"1713986"	295.091593	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+NH4+HCOOH"	64.039293
"1184080"	100.006651333333	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+3Na"	68.967654
"1655065"	300.046988	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Na+HCOOH"	68.994688
"160834"	539.02364	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+2K-H"	76.91904
"599300"	770.07594	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+2K-H"	76.91904
"1087097"	307.97134	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2K-H"	76.91904
"148291"	270.015458	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"2M+2K"	77.926316
"597015"	385.541608	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"3M+2K"	77.926316
"1082696"	154.489308	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2K"	77.926316
"1111043"	309.985892	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2K+H"	78.933592
"1350960"	310.073507	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+DMSO+H"	79.021207
"1020092"	314.112676	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2ACN+H"	83.060376
"1539849"	315.106308	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+IsoProp+Na+H"	84.054008
"1001628"	157.559976	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+2ACN+2H"	84.067652
"1596131"	316.020928	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+K+HCOOH"	84.968628
"1423977"	346.052438	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+H+CF3COOH"	115.000138
"1160826"	178.073251	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+3ACN+2H"	125.094202
"1708190"	363.078985	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+NH4+CF3COOH"	132.026685
"1639467"	368.03438	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+Na+CF3COOH"	136.98208
"1577310"	384.00832	"C19102"	"Eglinazine"	"C7H10ClN5O2"	"231.0523"	"M+K+CF3COOH"	152.95602
"815332"	243.1251	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M"	0
"986677"	224.10671	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-H2O-H"	-19.01839
"73828"	161.076124	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M-3H"	-3.021828
"515577"	242.117824	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M-3H"	-3.021828
"890096"	80.034424	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-3H"	-3.021828
"15076"	242.117824	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M-2H"	-2.014552
"454803"	363.680374	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M-2H"	-2.014552
"828231"	120.555274	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-2H"	-2.014552
"91502"	485.242924	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M-H"	-1.007276
"532153"	728.368024	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M-H"	-1.007276
"906679"	242.117824	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-H"	-1.007276
"58502"	502.269471	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M-2H+NH4"	16.019271
"497335"	745.394571	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M-2H+NH4"	16.019271
"875133"	259.144371	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-2H+NH4"	16.019271
"40848"	507.224866	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M-2H+Na"	20.974666
"474209"	750.349966	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M-2H+Na"	20.974666
"852743"	264.099766	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-2H+Na"	20.974666
"1629933"	264.099766	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Na-2H"	20.974666
"100994"	260.106163	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M-H+Cl"	33.962126
"547116"	381.668713	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M-H+Cl"	33.962126
"937350"	138.543613	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-H+Cl"	33.962126
"278831"	521.219602	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+Cl"	34.969402
"669796"	764.344702	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+Cl"	34.969402
"1283656"	278.094502	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Cl"	34.969402
"28035"	523.198806	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M-2H+K"	36.948606
"467229"	766.323906	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M-2H+K"	36.948606
"846854"	280.073706	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-2H+K"	36.948606
"1567425"	280.073706	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+K-2H"	36.948606
"956768"	288.123294	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-H+HCOOH"	44.998194
"373521"	531.248401	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+HCOOH-H"	44.998201
"354123"	545.264051	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+Hac-H"	59.013851
"1500768"	302.138951	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Hac-H"	59.013851
"966122"	310.105251	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-H+NaCOOH"	66.980151
"119402"	278.094502	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+2Cl"	69.938804
"552767"	399.657052	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+2Cl"	69.938804
"1025941"	156.531952	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2Cl"	69.938804
"1248438"	322.043985	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Br"	78.918885
"1314167"	324.099972	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Cl+HCOOH"	80.974872
"1333488"	346.081929	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Cl+NaCOOH"	102.956829
"925281"	356.110686	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M-H+CF3COOH"	112.985586
"1302717"	392.087364	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Cl+CF3COOH"	148.962264
"1378690"	208.112424	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H-2H2O"	-35.012676
"1394000"	226.1224	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H-H2O"	-17.0027
"286029"	487.257476	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+H"	1.007276
"682826"	730.382576	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+H"	1.007276
"1363186"	244.132376	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H"	1.007276
"134250"	244.132376	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+2H"	2.014552
"566883"	365.694926	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+2H"	2.014552
"1039693"	122.569826	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2H"	2.014552
"207958"	163.090676	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+3H"	3.021828
"645695"	244.132376	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+3H"	3.021828
"1169295"	82.048976	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+3H"	3.021828
"431476"	504.284023	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+NH4"	18.033823
"799034"	747.409123	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+NH4"	18.033823
"1694272"	261.158923	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+NH4"	18.033823
"344377"	252.6456495	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+H+NH4"	19.041099
"736432"	374.2081995	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+H+NH4"	19.041099
"1490985"	131.0830995	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H+NH4"	19.041099
"407480"	509.239418	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+Na"	22.989218
"767380"	752.364518	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+Na"	22.989218
"1618076"	266.114318	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Na"	22.989218
"326613"	255.123347	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+H+Na"	23.996494
"719032"	376.685897	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+H+Na"	23.996494
"1471758"	133.560797	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H+Na"	23.996494
"1061723"	89.37629	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2H+Na"	25.00377
"1265585"	276.158586	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+CH3OH+H"	33.033486
"386350"	525.213358	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+K"	38.963158
"749531"	768.338458	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+K"	38.963158
"1551584"	282.088258	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+K"	38.963158
"303291"	263.110317	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+H+K"	39.970434
"703369"	384.672867	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+H+K"	39.970434
"1460844"	141.547767	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H+K"	39.970434
"249808"	528.284026	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+ACN+H"	42.033826
"1221788"	285.158926	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+ACN+H"	42.033826
"1208949"	143.083101	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+ACN+2H"	43.041102
"203402"	531.22136	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+2Na-H"	44.97116
"644069"	774.34646	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+2Na-H"	44.97116
"1143788"	288.09626	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2Na-H"	44.97116
"180515"	266.114318	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+2Na"	45.978436
"622262"	387.676868	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+2Na"	45.978436
"1121395"	144.551768	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2Na"	45.978436
"1403825"	96.703604	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H+2Na"	46.985712
"1443601"	290.137846	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H+HCOOH"	47.012746
"234394"	271.14734	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+3H2O+2H"	56.04448
"1522704"	304.18989	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+IsoProp+H"	61.06479
"421049"	274.101288	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+Na+K"	61.952376
"782773"	395.663838	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+Na+K"	61.952376
"1676915"	152.538738	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Na+K"	61.952376
"261616"	550.265968	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+ACN+Na"	64.015768
"1234322"	307.140868	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+ACN+Na"	64.015768
"1717741"	307.164393	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+NH4+HCOOH"	64.039293
"1186377"	104.030918	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+3Na"	68.967654
"1657362"	312.119788	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Na+HCOOH"	68.994688
"162036"	563.16924	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+2K-H"	76.91904
"600868"	806.29434	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+2K-H"	76.91904
"1088302"	320.04414	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2K-H"	76.91904
"151682"	282.088258	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"2M+2K"	77.926316
"595743"	403.650808	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"3M+2K"	77.926316
"1081225"	160.525708	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2K"	77.926316
"1110060"	322.058692	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2K+H"	78.933592
"1349611"	322.146307	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+DMSO+H"	79.021207
"1020081"	326.185476	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2ACN+H"	83.060376
"1538572"	327.179108	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+IsoProp+Na+H"	84.054008
"998457"	163.596376	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+2ACN+2H"	84.067652
"1599521"	328.093728	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+K+HCOOH"	84.968628
"1424087"	358.125238	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+H+CF3COOH"	115.000138
"1160936"	184.109651	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+3ACN+2H"	125.094202
"1708300"	375.151785	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+NH4+CF3COOH"	132.026685
"1639577"	380.10718	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+Na+CF3COOH"	136.98208
"1574139"	396.08112	"C19103"	"Ipazine"	"C10H18ClN5"	"243.1251"	"M+K+CF3COOH"	152.95602
"814349"	271.1467	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M"	0
"984600"	252.12831	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-H2O-H"	-19.01839
"73939"	179.757190666667	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M-3H"	-3.021828
"515687"	270.139424	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M-3H"	-3.021828
"890207"	89.3749573333333	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-3H"	-3.021828
"15391"	270.139424	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M-2H"	-2.014552
"455274"	405.712774	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M-2H"	-2.014552
"832149"	134.566074	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-2H"	-2.014552
"90522"	541.286124	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M-H"	-1.007276
"531904"	812.432824	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M-H"	-1.007276
"908976"	270.139424	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-H"	-1.007276
"60072"	558.312671	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M-2H+NH4"	16.019271
"497445"	829.459371	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M-2H+NH4"	16.019271
"876339"	287.165971	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-2H+NH4"	16.019271
"45331"	563.268066	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M-2H+Na"	20.974666
"479424"	834.414766	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M-2H+Na"	20.974666
"853947"	292.121366	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-2H+Na"	20.974666
"1630043"	292.121366	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Na-2H"	20.974666
"104384"	288.127763	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M-H+Cl"	33.962126
"547226"	423.701113	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M-H+Cl"	33.962126
"937460"	152.554413	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-H+Cl"	33.962126
"277118"	577.262802	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+Cl"	34.969402
"670998"	848.409502	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+Cl"	34.969402
"1281944"	306.116102	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Cl"	34.969402
"26686"	579.242006	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M-2H+K"	36.948606
"469528"	850.388706	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M-2H+K"	36.948606
"844049"	308.095306	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-2H+K"	36.948606
"1567174"	308.095306	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+K-2H"	36.948606
"957527"	316.144894	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-H+HCOOH"	44.998194
"376144"	587.291601	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+HCOOH-H"	44.998201
"359946"	601.307251	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+Hac-H"	59.013851
"1507805"	330.160551	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Hac-H"	59.013851
"968419"	338.126851	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-H+NaCOOH"	66.980151
"119513"	306.116102	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+2Cl"	69.938804
"553970"	441.689452	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+2Cl"	69.938804
"1028967"	170.542752	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2Cl"	69.938804
"1252922"	350.065585	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Br"	78.918885
"1316830"	352.121572	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Cl+HCOOH"	80.974872
"1331410"	374.103529	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Cl+NaCOOH"	102.956829
"926607"	384.132286	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M-H+CF3COOH"	112.985586
"1302832"	420.108964	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Cl+CF3COOH"	148.962264
"1382327"	236.134024	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H-2H2O"	-35.012676
"1398001"	254.144	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H-H2O"	-17.0027
"289420"	543.300676	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+H"	1.007276
"685123"	814.447376	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+H"	1.007276
"1365727"	272.153976	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H"	1.007276
"137278"	272.153976	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+2H"	2.014552
"570639"	407.727326	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+2H"	2.014552
"1042719"	136.580626	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2H"	2.014552
"208068"	181.771742666667	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+3H"	3.021828
"649088"	272.153976	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+3H"	3.021828
"1173780"	91.3895093333334	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+3H"	3.021828
"433773"	560.327223	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+NH4"	18.033823
"800481"	831.473923	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+NH4"	18.033823
"1692194"	289.180523	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+NH4"	18.033823
"344852"	280.6672495	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+H+NH4"	19.041099
"737270"	416.2405995	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+H+NH4"	19.041099
"1490002"	145.0938995	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H+NH4"	19.041099
"407592"	565.282618	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+Na"	22.989218
"768584"	836.429318	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+Na"	22.989218
"1616686"	294.135918	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Na"	22.989218
"327820"	283.144947	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+H+Na"	23.996494
"721330"	418.718297	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+H+Na"	23.996494
"1475150"	147.571597	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H+Na"	23.996494
"1067991"	98.7168233333333	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2H+Na"	25.00377
"1268978"	304.180186	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+CH3OH+H"	33.033486
"389742"	581.256558	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+K"	38.963158
"751830"	852.403258	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+K"	38.963158
"1554247"	310.109858	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+K"	38.963158
"306681"	291.131917	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+H+K"	39.970434
"703479"	426.705267	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+H+K"	39.970434
"1461157"	155.558567	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H+K"	39.970434
"250769"	584.327226	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+ACN+H"	42.033826
"1222993"	313.180526	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+ACN+H"	42.033826
"1207969"	157.093901	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+ACN+2H"	43.041102
"203023"	587.26456	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+2Na-H"	44.97116
"643674"	858.41126	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+2Na-H"	44.97116
"1146085"	316.11786	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2Na-H"	44.97116
"180627"	294.135918	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+2Na"	45.978436
"619093"	429.709268	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+2Na"	45.978436
"1124788"	158.562568	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2Na"	45.978436
"1406126"	106.044137333333	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H+2Na"	46.985712
"1437149"	318.159446	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H+HCOOH"	47.012746
"235689"	299.16894	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+3H2O+2H"	56.04448
"1521469"	332.21149	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+IsoProp+H"	61.06479
"424241"	302.122888	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+Na+K"	61.952376
"785590"	437.696238	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+Na+K"	61.952376
"1681041"	166.549538	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Na+K"	61.952376
"265372"	606.309168	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+ACN+Na"	64.015768
"1238808"	335.162468	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+ACN+Na"	64.015768
"1724413"	335.185993	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+NH4+HCOOH"	64.039293
"1186489"	113.371451333333	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+3Na"	68.967654
"1657474"	340.141388	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Na+HCOOH"	68.994688
"168709"	619.21244	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+2K-H"	76.91904
"603896"	890.35914	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+2K-H"	76.91904
"1087318"	348.06574	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2K-H"	76.91904
"145225"	310.109858	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"2M+2K"	77.926316
"589165"	445.683208	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"3M+2K"	77.926316
"1079146"	174.536508	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2K"	77.926316
"1113450"	350.080292	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2K+H"	78.933592
"1350575"	350.167907	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+DMSO+H"	79.021207
"1020312"	354.207076	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2ACN+H"	83.060376
"1539493"	355.200708	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+IsoProp+Na+H"	84.054008
"1000754"	177.607176	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+2ACN+2H"	84.067652
"1599631"	356.115328	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+K+HCOOH"	84.968628
"1424197"	386.146838	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+H+CF3COOH"	115.000138
"1157766"	198.120451	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+3ACN+2H"	125.094202
"1708410"	403.173385	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+NH4+CF3COOH"	132.026685
"1639687"	408.12878	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+Na+CF3COOH"	136.98208
"1577530"	424.10272	"C19104"	"Methoprotryne"	"C11H21N5OS"	"271.1467"	"M+K+CF3COOH"	152.95602
"807897"	245.068	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M"	0
"983617"	226.04961	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-H2O-H"	-19.01839
"70766"	162.371390666667	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M-3H"	-3.021828
"516892"	244.060724	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M-3H"	-3.021828
"890316"	80.6820573333333	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-3H"	-3.021828
"15501"	244.060724	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M-2H"	-2.014552
"455017"	366.594724	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M-2H"	-2.014552
"832092"	121.526724	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-2H"	-2.014552
"91362"	489.128724	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M-H"	-1.007276
"532381"	734.196724	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M-H"	-1.007276
"908361"	244.060724	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-H"	-1.007276
"59944"	506.155271	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M-2H+NH4"	16.019271
"500470"	751.223271	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M-2H+NH4"	16.019271
"879243"	261.087271	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-2H+NH4"	16.019271
"44345"	511.110666	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M-2H+Na"	20.974666
"478440"	756.178666	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M-2H+Na"	20.974666
"854057"	266.042666	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-2H+Na"	20.974666
"1633069"	266.042666	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Na-2H"	20.974666
"106681"	262.049063	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M-H+Cl"	33.962126
"547702"	384.583063	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M-H+Cl"	33.962126
"940850"	139.515063	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-H+Cl"	33.962126
"278687"	525.105402	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+Cl"	34.969402
"673295"	770.173402	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+Cl"	34.969402
"1282784"	280.037402	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Cl"	34.969402
"28620"	527.084606	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M-2H+K"	36.948606
"470608"	772.152606	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M-2H+K"	36.948606
"846711"	282.016606	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-2H+K"	36.948606
"1565465"	282.016606	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+K-2H"	36.948606
"955896"	290.066194	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-H+HCOOH"	44.998194
"376662"	535.134201	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+HCOOH-H"	44.998201
"360669"	549.149851	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+Hac-H"	59.013851
"1507070"	304.081851	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Hac-H"	59.013851
"973512"	312.048151	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-H+NaCOOH"	66.980151
"122904"	280.037402	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+2Cl"	69.938804
"560278"	402.571402	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+2Cl"	69.938804
"1034545"	157.503402	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2Cl"	69.938804
"1254126"	323.986885	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Br"	78.918885
"1316575"	326.042872	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Cl+HCOOH"	80.974872
"1328602"	348.024829	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Cl+NaCOOH"	102.956829
"926639"	358.053586	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M-H+CF3COOH"	112.985586
"1304177"	394.030264	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Cl+CF3COOH"	148.962264
"1382436"	210.055324	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H-2H2O"	-35.012676
"1396773"	228.0653	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H-H2O"	-17.0027
"298283"	491.143276	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+H"	1.007276
"686325"	736.211276	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+H"	1.007276
"1365958"	246.075276	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H"	1.007276
"140305"	246.075276	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+2H"	2.014552
"575123"	368.609276	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+2H"	2.014552
"1045016"	123.541276	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2H"	2.014552
"208544"	164.385942666667	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+3H"	3.021828
"651387"	246.075276	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+3H"	3.021828
"1171703"	82.6966093333333	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+3H"	3.021828
"433883"	508.169823	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+NH4"	18.033823
"800351"	753.237823	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+NH4"	18.033823
"1694856"	263.101823	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+NH4"	18.033823
"345085"	254.5885495	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+H+NH4"	19.041099
"736774"	377.1225495	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+H+NH4"	19.041099
"1491575"	132.0545495	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H+NH4"	19.041099
"407700"	513.125218	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+Na"	22.989218
"767601"	758.193218	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+Na"	22.989218
"1618174"	268.057218	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Na"	22.989218
"329265"	257.066247	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+H+Na"	23.996494
"722050"	379.600247	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+H+Na"	23.996494
"1475627"	134.532247	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H+Na"	23.996494
"1067047"	90.0239233333333	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2H+Na"	25.00377
"1270183"	278.101486	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+CH3OH+H"	33.033486
"389851"	529.099158	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+K"	38.963158
"753399"	774.167158	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+K"	38.963158
"1550712"	284.031158	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+K"	38.963158
"306792"	265.053217	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+H+K"	39.970434
"695931"	387.587217	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+H+K"	39.970434
"1461231"	142.519217	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H+K"	39.970434
"250879"	532.169826	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+ACN+H"	42.033826
"1225046"	287.101826	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+ACN+H"	42.033826
"1209416"	144.054551	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+ACN+2H"	43.041102
"202766"	535.10716	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+2Na-H"	44.97116
"639409"	780.17516	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+2Na-H"	44.97116
"1142917"	290.03916	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2Na-H"	44.97116
"179644"	268.057218	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+2Na"	45.978436
"618109"	390.591218	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+2Na"	45.978436
"1123806"	145.523218	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2Na"	45.978436
"1404047"	97.3512373333333	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H+2Na"	46.985712
"1436531"	292.080746	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H+HCOOH"	47.012746
"235303"	273.09024	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+3H2O+2H"	56.04448
"1521579"	306.13279	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+IsoProp+H"	61.06479
"423985"	276.044188	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+Na+K"	61.952376
"785517"	398.578188	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+Na+K"	61.952376
"1681280"	153.510188	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Na+K"	61.952376
"266575"	554.151768	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+ACN+Na"	64.015768
"1236732"	309.083768	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+ACN+Na"	64.015768
"1724525"	309.107293	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+NH4+HCOOH"	64.039293
"1192066"	104.678551333333	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+3Na"	68.967654
"1664146"	314.062688	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Na+HCOOH"	68.994688
"171005"	567.05504	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+2K-H"	76.91904
"601817"	812.12304	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+2K-H"	76.91904
"1086700"	321.98704	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2K-H"	76.91904
"147521"	284.031158	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"2M+2K"	77.926316
"592555"	406.565158	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"3M+2K"	77.926316
"1079256"	161.497158	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2K"	77.926316
"1113560"	324.001592	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2K+H"	78.933592
"1348987"	324.089207	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+DMSO+H"	79.021207
"1020058"	328.128376	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2ACN+H"	83.060376
"1538182"	329.122008	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+IsoProp+Na+H"	84.054008
"1000864"	164.567826	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+2ACN+2H"	84.067652
"1599741"	330.036628	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+K+HCOOH"	84.968628
"1424307"	360.068138	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+H+CF3COOH"	115.000138
"1157876"	185.081101	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+3ACN+2H"	125.094202
"1708520"	377.094685	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+NH4+CF3COOH"	132.026685
"1639797"	382.05008	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+Na+CF3COOH"	136.98208
"1577640"	398.02402	"C19105"	"Proglinazine"	"C8H12ClN5O2"	"245.068"	"M+K+CF3COOH"	152.95602
"808007"	225.159	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M"	0
"981540"	206.14061	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-H2O-H"	-19.01839
"70876"	149.098724	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M-3H"	-3.021828
"515543"	224.151724	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M-3H"	-3.021828
"888239"	74.045724	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-3H"	-3.021828
"11192"	224.151724	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M-2H"	-2.014552
"453427"	336.731224	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M-2H"	-2.014552
"831717"	111.572224	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-2H"	-2.014552
"93173"	449.310724	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M-H"	-1.007276
"532490"	674.469724	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M-H"	-1.007276
"907744"	224.151724	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-H"	-1.007276
"60293"	466.337271	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M-2H+NH4"	16.019271
"501432"	691.496271	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M-2H+NH4"	16.019271
"878021"	241.178271	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-2H+NH4"	16.019271
"43362"	471.292666	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M-2H+Na"	20.974666
"480737"	696.451666	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M-2H+Na"	20.974666
"856354"	246.133666	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-2H+Na"	20.974666
"1632451"	246.133666	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Na-2H"	20.974666
"106791"	242.140063	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M-H+Cl"	33.962126
"546353"	354.719563	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M-H+Cl"	33.962126
"939868"	129.560563	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-H+Cl"	33.962126
"279890"	485.287402	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+Cl"	34.969402
"673041"	710.446402	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+Cl"	34.969402
"1284715"	260.128402	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Cl"	34.969402
"27637"	487.266606	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M-2H+K"	36.948606
"467927"	712.425606	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M-2H+K"	36.948606
"845365"	262.107606	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-2H+K"	36.948606
"1565572"	262.107606	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+K-2H"	36.948606
"952361"	270.157194	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-H+HCOOH"	44.998194
"374946"	495.316201	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+HCOOH-H"	44.998201
"355550"	509.331851	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+Hac-H"	59.013851
"1506205"	284.172851	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Hac-H"	59.013851
"972654"	292.139151	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-H+NaCOOH"	66.980151
"125081"	260.128402	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+2Cl"	69.938804
"560388"	372.707902	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+2Cl"	69.938804
"1034656"	147.548902	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2Cl"	69.938804
"1253871"	304.077885	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Br"	78.918885
"1315591"	306.133872	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Cl+HCOOH"	80.974872
"1329441"	328.115829	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Cl+NaCOOH"	102.956829
"926991"	338.144586	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M-H+CF3COOH"	112.985586
"1303619"	374.121264	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Cl+CF3COOH"	148.962264
"1380844"	190.146324	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H-2H2O"	-35.012676
"1395058"	208.1563	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H-H2O"	-17.0027
"291827"	451.325276	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+H"	1.007276
"684247"	676.484276	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+H"	1.007276
"1357315"	226.166276	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H"	1.007276
"134579"	226.166276	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+2H"	2.014552
"568672"	338.745776	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+2H"	2.014552
"1040023"	113.586776	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2H"	2.014552
"208654"	151.113276	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+3H"	3.021828
"654776"	226.166276	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+3H"	3.021828
"1168532"	76.060276	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+3H"	3.021828
"433993"	468.351823	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+NH4"	18.033823
"799365"	693.510823	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+NH4"	18.033823
"1692413"	243.192823	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+NH4"	18.033823
"344587"	234.6795495	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+H+NH4"	19.041099
"736397"	347.2590495	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+H+NH4"	19.041099
"1492723"	122.1000495	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H+NH4"	19.041099
"408517"	473.307218	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+Na"	22.989218
"769171"	698.466218	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+Na"	22.989218
"1618411"	248.148218	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Na"	22.989218
"329808"	237.157247	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+H+Na"	23.996494
"722459"	349.736747	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+H+Na"	23.996494
"1476907"	124.577747	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H+Na"	23.996494
"1067886"	83.38759	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2H+Na"	25.00377
"1271388"	258.192486	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+CH3OH+H"	33.033486
"389961"	489.281158	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+K"	38.963158
"754040"	714.440158	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+K"	38.963158
"1553010"	264.122158	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+K"	38.963158
"307995"	245.144217	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+H+K"	39.970434
"696041"	357.723717	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+H+K"	39.970434
"1460930"	132.564717	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H+K"	39.970434
"250747"	492.351826	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+ACN+H"	42.033826
"1223940"	267.192826	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+ACN+H"	42.033826
"1205996"	134.100051	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+ACN+2H"	43.041102
"201783"	495.28916	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+2Na-H"	44.97116
"639519"	720.44816	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+2Na-H"	44.97116
"1143391"	270.13016	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2Na-H"	44.97116
"181940"	248.148218	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+2Na"	45.978436
"617126"	360.727718	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+2Na"	45.978436
"1125738"	135.568718	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2Na"	45.978436
"1405250"	90.714904	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H+2Na"	46.985712
"1438827"	272.171746	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H+HCOOH"	47.012746
"233996"	253.18124	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+3H2O+2H"	56.04448
"1521325"	286.22379	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+IsoProp+H"	61.06479
"423567"	256.135188	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+Na+K"	61.952376
"784567"	368.714688	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+Na+K"	61.952376
"1681169"	143.555688	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Na+K"	61.952376
"265227"	514.333768	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+ACN+Na"	64.015768
"1240001"	289.174768	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+ACN+Na"	64.015768
"1727673"	289.198293	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+NH4+HCOOH"	64.039293
"1192176"	98.042218	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+3Na"	68.967654
"1664135"	294.153688	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Na+HCOOH"	68.994688
"168929"	527.23704	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+2K-H"	76.91904
"603021"	752.39604	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+2K-H"	76.91904
"1088267"	302.07804	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2K-H"	76.91904
"145811"	264.122158	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"2M+2K"	77.926316
"592665"	376.701658	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"3M+2K"	77.926316
"1080459"	151.542658	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2K"	77.926316
"1103826"	304.092592	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2K+H"	78.933592
"1351164"	304.180207	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+DMSO+H"	79.021207
"1020411"	308.219376	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2ACN+H"	83.060376
"1534523"	309.213008	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+IsoProp+Na+H"	84.054008
"998787"	154.613326	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+2ACN+2H"	84.067652
"1598758"	310.127628	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+K+HCOOH"	84.968628
"1424417"	340.159138	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+H+CF3COOH"	115.000138
"1157986"	175.126601	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+3ACN+2H"	125.094202
"1708630"	357.185685	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+NH4+CF3COOH"	132.026685
"1639907"	362.14108	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+Na+CF3COOH"	136.98208
"1577750"	378.11502	"C19106"	"Secbumeton"	"C10H19N5O"	"225.159"	"M+K+CF3COOH"	152.95602
"808117"	268.1358	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M"	0
"975089"	249.11741	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-H2O-H"	-19.01839
"69893"	177.749924	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M-3H"	-3.021828
"511642"	267.128524	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M-3H"	-3.021828
"885069"	88.371324	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-3H"	-3.021828
"13124"	267.128524	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M-2H"	-2.014552
"454023"	401.196424	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M-2H"	-2.014552
"831099"	133.060624	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-2H"	-2.014552
"91460"	535.264324	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M-H"	-1.007276
"530777"	803.400124	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M-H"	-1.007276
"907849"	267.128524	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-H"	-1.007276
"59306"	552.290871	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M-2H+NH4"	16.019271
"498140"	820.426671	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M-2H+NH4"	16.019271
"876549"	284.155071	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-2H+NH4"	16.019271
"44202"	557.246266	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M-2H+Na"	20.974666
"479754"	825.382066	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M-2H+Na"	20.974666
"855368"	289.110466	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-2H+Na"	20.974666
"1624902"	289.110466	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Na-2H"	20.974666
"102528"	285.116863	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M-H+Cl"	33.962126
"544276"	419.184763	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M-H+Cl"	33.962126
"938156"	151.048963	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-H+Cl"	33.962126
"278905"	571.241002	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+Cl"	34.969402
"672421"	839.376802	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+Cl"	34.969402
"1284459"	303.105202	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Cl"	34.969402
"25924"	573.220206	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M-2H+K"	36.948606
"464390"	841.356006	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M-2H+K"	36.948606
"841461"	305.084406	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-2H+K"	36.948606
"1565681"	305.084406	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+K-2H"	36.948606
"954292"	313.133994	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-H+HCOOH"	44.998194
"373235"	581.269801	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+HCOOH-H"	44.998201
"356754"	595.285451	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+Hac-H"	59.013851
"1500117"	327.149651	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Hac-H"	59.013851
"967658"	335.115951	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-H+NaCOOH"	66.980151
"117658"	303.105202	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+2Cl"	69.938804
"559405"	437.173102	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+2Cl"	69.938804
"1029298"	169.037302	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2Cl"	69.938804
"1249972"	347.054685	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Br"	78.918885
"1313515"	349.110672	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Cl+HCOOH"	80.974872
"1329916"	371.092629	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Cl+NaCOOH"	102.956829
"925841"	381.121386	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M-H+CF3COOH"	112.985586
"1303040"	417.098064	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Cl+CF3COOH"	148.962264
"1380833"	233.123124	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H-2H2O"	-35.012676
"1394804"	251.1331	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H-H2O"	-17.0027
"293396"	537.278876	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+H"	1.007276
"684357"	805.414676	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+H"	1.007276
"1356331"	269.143076	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H"	1.007276
"129221"	269.143076	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+2H"	2.014552
"567688"	403.210976	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+2H"	2.014552
"1039403"	135.075176	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2H"	2.014552
"207671"	179.764476	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+3H"	3.021828
"654886"	269.143076	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+3H"	3.021828
"1169736"	90.385876	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+3H"	3.021828
"431916"	554.305423	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+NH4"	18.033823
"796196"	822.441223	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+NH4"	18.033823
"1692523"	286.169623	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+NH4"	18.033823
"344940"	277.6563495	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+H+NH4"	19.041099
"732134"	411.7242495	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+H+NH4"	19.041099
"1492160"	143.5884495	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H+NH4"	19.041099
"408129"	559.260818	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+Na"	22.989218
"768793"	827.396618	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+Na"	22.989218
"1615798"	291.125018	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Na"	22.989218
"329245"	280.134047	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+H+Na"	23.996494
"721180"	414.201947	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+H+Na"	23.996494
"1475487"	146.066147	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H+Na"	23.996494
"1067267"	97.71319	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2H+Na"	25.00377
"1270403"	301.169286	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+CH3OH+H"	33.033486
"390067"	575.234758	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+K"	38.963158
"752891"	843.370558	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+K"	38.963158
"1555147"	307.098958	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+K"	38.963158
"310292"	288.121017	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+H+K"	39.970434
"698339"	422.188917	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+H+K"	39.970434
"1460065"	154.053117	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H+K"	39.970434
"250251"	578.305426	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+ACN+H"	42.033826
"1223318"	310.169626	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+ACN+H"	42.033826
"1205013"	155.588451	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+ACN+2H"	43.041102
"200070"	581.24276	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+2Na-H"	44.97116
"639628"	849.37856	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+2Na-H"	44.97116
"1144594"	313.10696	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2Na-H"	44.97116
"183143"	291.125018	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+2Na"	45.978436
"620515"	425.192918	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+2Na"	45.978436
"1125482"	157.057118	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2Na"	45.978436
"1407548"	105.040504	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H+2Na"	46.985712
"1435286"	315.148546	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H+HCOOH"	47.012746
"231182"	296.15804	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+3H2O+2H"	56.04448
"1522892"	329.20059	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+IsoProp+H"	61.06479
"421856"	299.111988	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+Na+K"	61.952376
"783947"	433.179888	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+Na+K"	61.952376
"1681005"	165.044088	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Na+K"	61.952376
"263880"	600.287368	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+ACN+Na"	64.015768
"1237317"	332.151568	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+ACN+Na"	64.015768
"1725476"	332.175093	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+NH4+HCOOH"	64.039293
"1192652"	112.367818	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+3Na"	68.967654
"1664858"	337.130488	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Na+HCOOH"	68.994688
"169038"	613.19064	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+2K-H"	76.91904
"604225"	881.32644	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+2K-H"	76.91904
"1087650"	345.05484	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2K-H"	76.91904
"145920"	307.098958	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"2M+2K"	77.926316
"592775"	441.166858	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"3M+2K"	77.926316
"1082272"	173.031058	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2K"	77.926316
"1105029"	347.069392	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2K+H"	78.933592
"1350539"	347.157007	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+DMSO+H"	79.021207
"1020764"	351.196176	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2ACN+H"	83.060376
"1533539"	352.189808	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+IsoProp+Na+H"	84.054008
"1001084"	176.101726	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+2ACN+2H"	84.067652
"1599961"	353.104428	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+K+HCOOH"	84.968628
"1424527"	383.135938	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+H+CF3COOH"	115.000138
"1158096"	196.615001	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+3ACN+2H"	125.094202
"1707647"	400.162485	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+NH4+CF3COOH"	132.026685
"1636737"	405.11788	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+Na+CF3COOH"	136.98208
"1581140"	421.09182	"C19107"	"Isomethiozin"	"C12H20N4OS"	"268.1358"	"M+K+CF3COOH"	152.95602
"808227"	246.0004	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M"	0
"976656"	226.98201	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-H2O-H"	-19.01839
"71096"	162.992990666667	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M-3H"	-3.021828
"511752"	244.993124	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M-3H"	-3.021828
"885179"	80.9928573333333	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-3H"	-3.021828
"12505"	244.993124	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M-2H"	-2.014552
"453889"	367.993324	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M-2H"	-2.014552
"829870"	121.992924	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-2H"	-2.014552
"93026"	490.993524	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M-H"	-1.007276
"531606"	736.993924	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M-H"	-1.007276
"909416"	244.993124	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-H"	-1.007276
"60510"	508.020071	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M-2H+NH4"	16.019271
"499468"	754.020471	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M-2H+NH4"	16.019271
"877148"	262.019671	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-2H+NH4"	16.019271
"45405"	512.975466	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M-2H+Na"	20.974666
"477677"	758.975866	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M-2H+Na"	20.974666
"852198"	266.975066	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-2H+Na"	20.974666
"1623919"	266.975066	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Na-2H"	20.974666
"103731"	262.981463	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M-H+Cl"	33.962126
"545479"	385.981663	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M-H+Cl"	33.962126
"939725"	139.981263	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-H+Cl"	33.962126
"279015"	526.970202	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+Cl"	34.969402
"674843"	772.970602	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+Cl"	34.969402
"1285664"	280.969802	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Cl"	34.969402
"27128"	528.949406	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M-2H+K"	36.948606
"465594"	774.949806	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M-2H+K"	36.948606
"843394"	282.949006	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-2H+K"	36.948606
"1567978"	282.949006	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+K-2H"	36.948606
"955860"	290.998594	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-H+HCOOH"	44.998194
"374803"	536.999001	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+HCOOH-H"	44.998201
"356864"	551.014651	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+Hac-H"	59.013851
"1503507"	305.014251	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Hac-H"	59.013851
"965581"	312.980551	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-H+NaCOOH"	66.980151
"118861"	280.969802	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+2Cl"	69.938804
"556599"	403.970002	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+2Cl"	69.938804
"1029408"	157.969602	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2Cl"	69.938804
"1248989"	324.919285	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Br"	78.918885
"1310343"	326.975272	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Cl+HCOOH"	80.974872
"1328933"	348.957229	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Cl+NaCOOH"	102.956829
"925099"	358.985986	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M-H+CF3COOH"	112.985586
"1302175"	394.962664	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Cl+CF3COOH"	148.962264
"1381428"	210.987724	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H-2H2O"	-35.012676
"1396008"	228.9977	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H-H2O"	-17.0027
"293871"	493.008076	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+H"	1.007276
"683010"	739.008476	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+H"	1.007276
"1356441"	247.007676	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H"	1.007276
"132611"	247.007676	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+2H"	2.014552
"569985"	370.007876	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+2H"	2.014552
"1041336"	124.007476	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2H"	2.014552
"208872"	165.007542666667	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+3H"	3.021828
"645277"	247.007676	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+3H"	3.021828
"1169846"	83.0074093333333	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+3H"	3.021828
"432756"	510.034623	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+NH4"	18.033823
"796306"	756.035023	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+NH4"	18.033823
"1690446"	264.034223	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+NH4"	18.033823
"345132"	255.5209495	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+H+NH4"	19.041099
"733338"	378.5211495	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+H+NH4"	19.041099
"1492482"	132.5207495	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H+NH4"	19.041099
"408117"	514.990018	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+Na"	22.989218
"767931"	760.990418	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+Na"	22.989218
"1612749"	268.989618	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Na"	22.989218
"329873"	257.998647	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+H+Na"	23.996494
"722263"	380.998847	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+H+Na"	23.996494
"1476448"	134.998447	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H+Na"	23.996494
"1065554"	90.3347233333333	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2H+Na"	25.00377
"1271243"	279.033886	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+CH3OH+H"	33.033486
"391272"	530.963958	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+K"	38.963158
"753365"	776.964358	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+K"	38.963158
"1553231"	284.963558	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+K"	38.963158
"312954"	265.985617	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+H+K"	39.970434
"700636"	388.985817	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+H+K"	39.970434
"1458838"	142.985417	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H+K"	39.970434
"250238"	534.034626	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+ACN+H"	42.033826
"1220150"	288.034226	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+ACN+H"	42.033826
"1205124"	144.520751	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+ACN+2H"	43.041102
"197994"	536.97196	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+2Na-H"	44.97116
"639738"	782.97236	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+2Na-H"	44.97116
"1143610"	290.97156	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2Na-H"	44.97116
"183253"	268.989618	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+2Na"	45.978436
"617710"	391.989818	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+2Na"	45.978436
"1125227"	145.989418	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2Na"	45.978436
"1408750"	97.6620373333333	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H+2Na"	46.985712
"1434303"	293.013146	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H+HCOOH"	47.012746
"227279"	274.02264	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+3H2O+2H"	56.04448
"1513156"	307.06519	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+IsoProp+H"	61.06479
"421600"	276.976588	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+Na+K"	61.952376
"784784"	399.976788	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+Na+K"	61.952376
"1676740"	153.976388	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Na+K"	61.952376
"263262"	556.016568	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+ACN+Na"	64.015768
"1235970"	310.016168	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+ACN+Na"	64.015768
"1723399"	310.039693	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+NH4+HCOOH"	64.039293
"1193858"	104.989351333333	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+3Na"	68.967654
"1664845"	314.995088	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Na+HCOOH"	68.994688
"166961"	568.91984	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+2K-H"	76.91904
"604335"	814.92024	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+2K-H"	76.91904
"1087760"	322.91944	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2K-H"	76.91904
"146031"	284.963558	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"2M+2K"	77.926316
"586321"	407.963758	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"3M+2K"	77.926316
"1080679"	161.963358	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2K"	77.926316
"1104046"	324.933992	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2K+H"	78.933592
"1345900"	325.021607	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+DMSO+H"	79.021207
"1014430"	329.060776	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2ACN+H"	83.060376
"1532556"	330.054408	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+IsoProp+Na+H"	84.054008
"1002287"	165.034026	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+2ACN+2H"	84.067652
"1600071"	330.969028	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+K+HCOOH"	84.968628
"1424637"	361.000538	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+H+CF3COOH"	115.000138
"1158206"	185.547301	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+3ACN+2H"	125.094202
"1707757"	378.027085	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+NH4+CF3COOH"	132.026685
"1636847"	382.98248	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+Na+CF3COOH"	136.98208
"1581250"	398.95642	"C19108"	"Isocil"	"C8H11BrN2O2"	"246.0004"	"M+K+CF3COOH"	152.95602
"808337"	198.1732	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M"	0
"976402"	179.15481	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-H2O-H"	-19.01839
"67926"	131.108190666667	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M-3H"	-3.021828
"512955"	197.165924	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M-3H"	-3.021828
"888569"	65.0504573333333	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-3H"	-3.021828
"11521"	197.165924	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M-2H"	-2.014552
"455568"	296.252524	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M-2H"	-2.014552
"829980"	98.079324	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-2H"	-2.014552
"92889"	395.339124	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M-H"	-1.007276
"532082"	593.512324	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M-H"	-1.007276
"909529"	197.165924	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-H"	-1.007276
"60987"	412.365671	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M-2H+NH4"	16.019271
"500185"	610.538871	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M-2H+NH4"	16.019271
"878712"	214.192471	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-2H+NH4"	16.019271
"45882"	417.321066	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M-2H+Na"	20.974666
"479974"	615.494266	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M-2H+Na"	20.974666
"857775"	219.147866	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-2H+Na"	20.974666
"1626216"	219.147866	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Na-2H"	20.974666
"103841"	215.154263	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M-H+Cl"	33.962126
"544496"	314.240863	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M-H+Cl"	33.962126
"936916"	116.067663	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-H+Cl"	33.962126
"280583"	431.315802	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+Cl"	34.969402
"675196"	629.489002	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+Cl"	34.969402
"1287232"	233.142602	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Cl"	34.969402
"28697"	433.295006	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M-2H+K"	36.948606
"464608"	631.468206	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M-2H+K"	36.948606
"843504"	235.121806	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-2H+K"	36.948606
"1565901"	235.121806	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+K-2H"	36.948606
"957062"	243.171394	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-H+HCOOH"	44.998194
"375641"	441.344601	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+HCOOH-H"	44.998201
"358066"	455.360251	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+Hac-H"	59.013851
"1503617"	257.187051	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Hac-H"	59.013851
"966785"	265.153351	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-H+NaCOOH"	66.980151
"122617"	233.142602	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+2Cl"	69.938804
"557802"	332.229202	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+2Cl"	69.938804
"1030611"	134.056002	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2Cl"	69.938804
"1250193"	277.092085	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Br"	78.918885
"1311547"	279.148072	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Cl+HCOOH"	80.974872
"1327950"	301.130029	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Cl+NaCOOH"	102.956829
"921198"	311.158786	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M-H+CF3COOH"	112.985586
"1303017"	347.135464	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Cl+CF3COOH"	148.962264
"1380445"	163.160524	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H-2H2O"	-35.012676
"1393202"	181.1705	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H-H2O"	-17.0027
"293981"	397.353676	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+H"	1.007276
"681297"	595.526876	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+H"	1.007276
"1356552"	199.180476	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H"	1.007276
"132721"	199.180476	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+2H"	2.014552
"575198"	298.267076	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+2H"	2.014552
"1042539"	100.093876	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2H"	2.014552
"209346"	133.122742666667	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+3H"	3.021828
"647453"	199.180476	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+3H"	3.021828
"1171050"	67.0650093333333	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+3H"	3.021828
"433230"	414.380223	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+NH4"	18.033823
"799697"	612.553423	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+NH4"	18.033823
"1691650"	216.207023	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+NH4"	18.033823
"342123"	207.6937495	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+H+NH4"	19.041099
"732354"	306.7803495	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+H+NH4"	19.041099
"1492711"	108.6071495	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H+NH4"	19.041099
"408467"	419.335618	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+Na"	22.989218
"765854"	617.508818	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+Na"	22.989218
"1612859"	221.162418	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Na"	22.989218
"327270"	210.171447	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+H+Na"	23.996494
"722572"	309.258047	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+H+Na"	23.996494
"1476068"	111.084847	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H+Na"	23.996494
"1064570"	74.3923233333333	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2H+Na"	25.00377
"1270624"	231.206686	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+CH3OH+H"	33.033486
"391018"	435.309558	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+K"	38.963158
"752382"	633.482758	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+K"	38.963158
"1554067"	237.136358	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+K"	38.963158
"313064"	218.158417	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+H+K"	39.970434
"704030"	317.245017	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+H+K"	39.970434
"1459674"	119.071817	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H+K"	39.970434
"245359"	438.380226	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+ACN+H"	42.033826
"1222448"	240.207026	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+ACN+H"	42.033826
"1205233"	120.607151	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+ACN+2H"	43.041102
"198104"	441.31756	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+2Na-H"	44.97116
"639120"	639.49076	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+2Na-H"	44.97116
"1141898"	243.14436	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2Na-H"	44.97116
"182999"	221.162418	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+2Na"	45.978436
"617456"	320.249018	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+2Na"	45.978436
"1125337"	122.075818	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2Na"	45.978436
"1408496"	81.7196373333333	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H+2Na"	46.985712
"1433320"	245.185946	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H+HCOOH"	47.012746
"225203"	226.19544	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+3H2O+2H"	56.04448
"1513266"	259.23799	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+IsoProp+H"	61.06479
"422802"	229.149388	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+Na+K"	61.952376
"782342"	328.235988	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+Na+K"	61.952376
"1677943"	130.062788	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Na+K"	61.952376
"263736"	460.362168	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+ACN+Na"	64.015768
"1236080"	262.188968	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+ACN+Na"	64.015768
"1723873"	262.212493	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+NH4+HCOOH"	64.039293
"1193724"	89.0469513333333	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+3Na"	68.967654
"1665238"	267.167888	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Na+HCOOH"	68.994688
"169258"	473.26544	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+2K-H"	76.91904
"606632"	671.43864	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+2K-H"	76.91904
"1091147"	275.09224	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2K-H"	76.91904
"150152"	237.136358	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"2M+2K"	77.926316
"588618"	336.222958	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"3M+2K"	77.926316
"1080789"	138.049758	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2K"	77.926316
"1109623"	277.106792	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2K+H"	78.933592
"1346010"	277.194407	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+DMSO+H"	79.021207
"1014539"	281.233576	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2ACN+H"	83.060376
"1533758"	282.227208	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+IsoProp+Na+H"	84.054008
"1002399"	141.120426	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+2ACN+2H"	84.067652
"1597995"	283.141828	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+K+HCOOH"	84.968628
"1423654"	313.173338	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+H+CF3COOH"	115.000138
"1158316"	161.633701	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+3ACN+2H"	125.094202
"1700212"	330.199885	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+NH4+CF3COOH"	132.026685
"1636957"	335.15528	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+Na+CF3COOH"	136.98208
"1581360"	351.12922	"C19109"	"Cycluron"	"C11H22N2O"	"198.1732"	"M+K+CF3COOH"	152.95602
"808447"	222.1732	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M"	0
"978698"	203.15481	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-H2O-H"	-19.01839
"68036"	147.108190666667	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M-3H"	-3.021828
"513065"	221.165924	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M-3H"	-3.021828
"885399"	73.0504573333333	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-3H"	-3.021828
"12724"	221.165924	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M-2H"	-2.014552
"455247"	332.252524	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M-2H"	-2.014552
"830820"	110.079324	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-2H"	-2.014552
"90081"	443.339124	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M-H"	-1.007276
"530733"	665.512324	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M-H"	-1.007276
"907811"	221.165924	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-H"	-1.007276
"61096"	460.365671	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M-2H+NH4"	16.019271
"500656"	682.538871	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M-2H+NH4"	16.019271
"874445"	238.192471	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-2H+NH4"	16.019271
"42708"	465.321066	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M-2H+Na"	20.974666
"480084"	687.494266	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M-2H+Na"	20.974666
"857885"	243.147866	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-2H+Na"	20.974666
"1625233"	243.147866	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Na-2H"	20.974666
"102858"	239.154263	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M-H+Cl"	33.962126
"545699"	350.240863	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M-H+Cl"	33.962126
"938119"	128.067663	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-H+Cl"	33.962126
"278868"	479.315802	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+Cl"	34.969402
"675225"	701.489002	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+Cl"	34.969402
"1286856"	257.142602	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Cl"	34.969402
"28807"	481.295006	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M-2H+K"	36.948606
"468000"	703.468206	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M-2H+K"	36.948606
"845801"	259.121806	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-2H+K"	36.948606
"1568198"	259.121806	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+K-2H"	36.948606
"956078"	267.171394	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-H+HCOOH"	44.998194
"374293"	489.344601	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+HCOOH-H"	44.998201
"355989"	503.360251	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+Hac-H"	59.013851
"1501540"	281.187051	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Hac-H"	59.013851
"967987"	289.153351	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-H+NaCOOH"	66.980151
"116893"	257.142602	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+2Cl"	69.938804
"554267"	368.229202	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+2Cl"	69.938804
"1027441"	146.056002	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2Cl"	69.938804
"1243736"	301.092085	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Br"	78.918885
"1311654"	303.148072	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Cl+HCOOH"	80.974872
"1331339"	325.130029	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Cl+NaCOOH"	102.956829
"920214"	335.158786	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M-H+CF3COOH"	112.985586
"1298018"	371.135464	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Cl+CF3COOH"	148.962264
"1381648"	187.160524	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H-2H2O"	-35.012676
"1393677"	205.1705	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H-H2O"	-17.0027
"292634"	445.353676	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+H"	1.007276
"681407"	667.526876	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+H"	1.007276
"1359942"	223.180476	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H"	1.007276
"135019"	223.180476	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+2H"	2.014552
"575308"	334.267076	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+2H"	2.014552
"1042285"	112.093876	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2H"	2.014552
"206905"	149.122742666667	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+3H"	3.021828
"645497"	223.180476	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+3H"	3.021828
"1172254"	75.0650093333333	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+3H"	3.021828
"433340"	462.380223	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+NH4"	18.033823
"798714"	684.553423	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+NH4"	18.033823
"1690667"	240.207023	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+NH4"	18.033823
"341869"	231.6937495	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+H+NH4"	19.041099
"731371"	342.7803495	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+H+NH4"	19.041099
"1491761"	120.6071495	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H+NH4"	19.041099
"407523"	467.335618	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+Na"	22.989218
"765964"	689.508818	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+Na"	22.989218
"1616249"	245.162418	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Na"	22.989218
"328352"	234.171447	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+H+Na"	23.996494
"722673"	345.258047	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+H+Na"	23.996494
"1476666"	123.084847	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H+Na"	23.996494
"1067838"	82.3923233333333	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2H+Na"	25.00377
"1270734"	255.206686	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+CH3OH+H"	33.033486
"392506"	483.309558	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+K"	38.963158
"752492"	705.482758	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+K"	38.963158
"1550168"	261.136358	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+K"	38.963158
"314027"	242.158417	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+H+K"	39.970434
"705233"	353.245017	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+H+K"	39.970434
"1457961"	131.071817	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H+K"	39.970434
"247657"	486.380226	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+ACN+H"	42.033826
"1222194"	264.207026	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+ACN+H"	42.033826
"1206802"	132.607151	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+ACN+2H"	43.041102
"199307"	489.31756	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+2Na-H"	44.97116
"636679"	711.49076	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+2Na-H"	44.97116
"1142008"	267.14436	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2Na-H"	44.97116
"182380"	245.162418	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+2Na"	45.978436
"616473"	356.249018	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+2Na"	45.978436
"1122168"	134.075818	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2Na"	45.978436
"1408970"	89.7196373333333	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H+2Na"	46.985712
"1434524"	269.185946	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H+HCOOH"	47.012746
"224220"	250.19544	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+3H2O+2H"	56.04448
"1513376"	283.23799	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+IsoProp+H"	61.06479
"422547"	253.149388	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+Na+K"	61.952376
"783909"	364.235988	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+Na+K"	61.952376
"1676958"	142.062788	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Na+K"	61.952376
"262386"	508.362168	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+ACN+Na"	64.015768
"1238008"	286.188968	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+ACN+Na"	64.015768
"1722888"	286.212493	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+NH4+HCOOH"	64.039293
"1191525"	97.0469513333333	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+3Na"	68.967654
"1655948"	291.167888	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Na+HCOOH"	68.994688
"169368"	521.26544	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+2K-H"	76.91904
"602369"	743.43864	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+2K-H"	76.91904
"1094540"	299.09224	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2K-H"	76.91904
"149170"	261.136358	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"2M+2K"	77.926316
"589825"	372.222958	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"3M+2K"	77.926316
"1080899"	150.049758	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2K"	77.926316
"1109735"	301.106792	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2K+H"	78.933592
"1349403"	301.194407	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+DMSO+H"	79.021207
"1014650"	305.233576	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2ACN+H"	83.060376
"1537153"	306.227208	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+IsoProp+Na+H"	84.054008
"1004696"	153.120426	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+2ACN+2H"	84.067652
"1598105"	307.141828	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+K+HCOOH"	84.968628
"1424858"	337.173338	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+H+CF3COOH"	115.000138
"1157333"	173.633701	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+3ACN+2H"	125.094202
"1705791"	354.199885	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+NH4+CF3COOH"	132.026685
"1643628"	359.15528	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+Na+CF3COOH"	136.98208
"1581470"	375.12922	"C19110"	"Isonoruron"	"C13H22N2O"	"222.1732"	"M+K+CF3COOH"	152.95602
"808557"	222.1732	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M"	0
"977715"	203.15481	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-H2O-H"	-19.01839
"64866"	147.108190666667	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M-3H"	-3.021828
"512081"	221.165924	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M-3H"	-3.021828
"885509"	73.0504573333333	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-3H"	-3.021828
"10647"	221.165924	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M-2H"	-2.014552
"451303"	332.252524	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M-2H"	-2.014552
"825824"	110.079324	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-2H"	-2.014552
"85815"	443.339124	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M-H"	-1.007276
"525374"	665.512324	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M-H"	-1.007276
"903181"	221.165924	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-H"	-1.007276
"55369"	460.365671	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M-2H+NH4"	16.019271
"493836"	682.538871	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M-2H+NH4"	16.019271
"869448"	238.192471	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-2H+NH4"	16.019271
"35160"	465.321066	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M-2H+Na"	20.974666
"479101"	687.494266	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M-2H+Na"	20.974666
"856902"	243.147866	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-2H+Na"	20.974666
"1625343"	243.147866	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Na-2H"	20.974666
"102968"	239.154263	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M-H+Cl"	33.962126
"543623"	350.240863	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M-H+Cl"	33.962126
"933857"	128.067663	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-H+Cl"	33.962126
"277885"	479.315802	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+Cl"	34.969402
"675420"	701.489002	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+Cl"	34.969402
"1288186"	257.142602	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Cl"	34.969402
"30496"	481.295006	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M-2H+K"	36.948606
"469203"	703.468206	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M-2H+K"	36.948606
"847004"	259.121806	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-2H+K"	36.948606
"1570130"	259.121806	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+K-2H"	36.948606
"956188"	267.171394	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-H+HCOOH"	44.998194
"372216"	489.344601	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+HCOOH-H"	44.998201
"353913"	503.360251	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+Hac-H"	59.013851
"1499464"	281.187051	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Hac-H"	59.013851
"965911"	289.153351	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-H+NaCOOH"	66.980151
"113723"	257.142602	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+2Cl"	69.938804
"551461"	368.229202	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+2Cl"	69.938804
"1026458"	146.056002	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2Cl"	69.938804
"1243117"	301.092085	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Br"	78.918885
"1308484"	303.148072	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Cl+HCOOH"	80.974872
"1332178"	325.130029	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Cl+NaCOOH"	102.956829
"921417"	335.158786	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M-H+CF3COOH"	112.985586
"1299221"	371.135464	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Cl+CF3COOH"	148.962264
"1380299"	187.160524	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H-2H2O"	-35.012676
"1391597"	205.1705	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H-H2O"	-17.0027
"294565"	445.353676	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+H"	1.007276
"685892"	667.526876	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+H"	1.007276
"1360052"	223.180476	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H"	1.007276
"130754"	223.180476	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+2H"	2.014552
"569222"	334.267076	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+2H"	2.014552
"1042394"	112.093876	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2H"	2.014552
"206526"	149.122742666667	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+3H"	3.021828
"645607"	223.180476	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+3H"	3.021828
"1164705"	75.0650093333333	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+3H"	3.021828
"433450"	462.380223	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+NH4"	18.033823
"797730"	684.553423	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+NH4"	18.033823
"1690777"	240.207023	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+NH4"	18.033823
"342343"	231.6937495	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+H+NH4"	19.041099
"731480"	342.7803495	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+H+NH4"	19.041099
"1491871"	120.6071495	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H+NH4"	19.041099
"406903"	467.335618	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+Na"	22.989218
"762792"	689.508818	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+Na"	22.989218
"1615266"	245.162418	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Na"	22.989218
"327490"	234.171447	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+H+Na"	23.996494
"722786"	345.258047	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+H+Na"	23.996494
"1476166"	123.084847	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H+Na"	23.996494
"1063697"	82.3923233333333	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2H+Na"	25.00377
"1271575"	255.206686	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+CH3OH+H"	33.033486
"385045"	483.309558	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+K"	38.963158
"750416"	705.482758	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+K"	38.963158
"1547001"	261.136358	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+K"	38.963158
"310733"	242.158417	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+H+K"	39.970434
"700969"	353.245017	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+H+K"	39.970434
"1456982"	131.071817	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H+K"	39.970434
"243394"	486.380226	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+ACN+H"	42.033826
"1221211"	264.207026	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+ACN+H"	42.033826
"1204362"	132.607151	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+ACN+2H"	43.041102
"197231"	489.31756	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+2Na-H"	44.97116
"640072"	711.49076	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+2Na-H"	44.97116
"1142485"	267.14436	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2Na-H"	44.97116
"180306"	245.162418	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+2Na"	45.978436
"620958"	356.249018	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+2Na"	45.978436
"1122278"	134.075818	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2Na"	45.978436
"1404709"	89.7196373333333	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H+2Na"	46.985712
"1433542"	269.185946	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H+HCOOH"	47.012746
"223238"	250.19544	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+3H2O+2H"	56.04448
"1511302"	283.23799	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+IsoProp+H"	61.06479
"418644"	253.149388	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+Na+K"	61.952376
"782195"	364.235988	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+Na+K"	61.952376
"1677068"	142.062788	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Na+K"	61.952376
"261403"	508.362168	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+ACN+Na"	64.015768
"1238484"	286.188968	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+ACN+Na"	64.015768
"1718623"	286.212493	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+NH4+HCOOH"	64.039293
"1189446"	97.0469513333333	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+3Na"	68.967654
"1658244"	291.167888	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Na+HCOOH"	68.994688
"170571"	521.26544	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+2K-H"	76.91904
"603572"	743.43864	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+2K-H"	76.91904
"1094651"	299.09224	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2K-H"	76.91904
"149280"	261.136358	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"2M+2K"	77.926316
"589935"	372.222958	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"3M+2K"	77.926316
"1081009"	150.049758	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2K"	77.926316
"1113126"	301.106792	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2K+H"	78.933592
"1346234"	301.194407	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+DMSO+H"	79.021207
"1013667"	305.233576	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2ACN+H"	83.060376
"1537992"	306.227208	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+IsoProp+Na+H"	84.054008
"1002619"	153.120426	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+2ACN+2H"	84.067652
"1598946"	307.141828	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+K+HCOOH"	84.968628
"1422782"	337.173338	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+H+CF3COOH"	115.000138
"1157443"	173.633701	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+3ACN+2H"	125.094202
"1705901"	354.199885	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+NH4+CF3COOH"	132.026685
"1643739"	359.15528	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+Na+CF3COOH"	136.98208
"1581580"	375.12922	"C19111"	"Noruron"	"C13H22N2O"	"222.1732"	"M+K+CF3COOH"	152.95602
"808667"	256.0994	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M"	0
"980012"	237.08101	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-H2O-H"	-19.01839
"71536"	169.725657333333	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M-3H"	-3.021828
"515471"	255.092124	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M-3H"	-3.021828
"887805"	84.3591906666667	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-3H"	-3.021828
"12217"	255.092124	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M-2H"	-2.014552
"452142"	383.141824	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M-2H"	-2.014552
"828120"	127.042424	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-2H"	-2.014552
"89205"	511.191524	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M-H"	-1.007276
"525484"	767.290924	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M-H"	-1.007276
"903291"	255.092124	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-H"	-1.007276
"56572"	528.218071	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M-2H+NH4"	16.019271
"496132"	784.317471	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M-2H+NH4"	16.019271
"869558"	272.118671	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-2H+NH4"	16.019271
"34904"	533.173466	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M-2H+Na"	20.974666
"482857"	789.272866	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M-2H+Na"	20.974666
"861751"	277.074066	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-2H+Na"	20.974666
"1629826"	277.074066	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Na-2H"	20.974666
"103078"	273.080463	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M-H+Cl"	33.962126
"543733"	401.130163	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M-H+Cl"	33.962126
"936153"	145.030763	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-H+Cl"	33.962126
"277631"	547.168202	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+Cl"	34.969402
"673701"	803.267602	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+Cl"	34.969402
"1285008"	291.068802	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Cl"	34.969402
"30812"	549.147406	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M-2H+K"	36.948606
"469313"	805.246806	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M-2H+K"	36.948606
"847114"	293.048006	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-2H+K"	36.948606
"1569876"	293.048006	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+K-2H"	36.948606
"956298"	301.097594	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-H+HCOOH"	44.998194
"370139"	557.197001	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+HCOOH-H"	44.998201
"354023"	571.212651	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+Hac-H"	59.013851
"1499574"	315.113251	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Hac-H"	59.013851
"967114"	323.079551	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-H+NaCOOH"	66.980151
"112373"	291.068802	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+2Cl"	69.938804
"552299"	419.118502	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+2Cl"	69.938804
"1026932"	163.019102	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2Cl"	69.938804
"1243226"	335.018285	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Br"	78.918885
"1309322"	337.074272	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Cl+HCOOH"	80.974872
"1327185"	359.056229	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Cl+NaCOOH"	102.956829
"920433"	369.084986	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M-H+CF3COOH"	112.985586
"1298236"	405.061664	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Cl+CF3COOH"	148.962264
"1378587"	221.086724	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H-2H2O"	-35.012676
"1384416"	239.0967	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H-H2O"	-17.0027
"290300"	513.206076	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+H"	1.007276
"686731"	769.305476	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+H"	1.007276
"1356882"	257.106676	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H"	1.007276
"129041"	257.106676	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+2H"	2.014552
"571518"	385.156376	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+2H"	2.014552
"1041411"	129.056976	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2H"	2.014552
"207123"	171.740209333333	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+3H"	3.021828
"646688"	257.106676	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+3H"	3.021828
"1167001"	86.3737426666667	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+3H"	3.021828
"433560"	530.232623	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+NH4"	18.033823
"798206"	786.332023	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+NH4"	18.033823
"1691980"	274.133223	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+NH4"	18.033823
"343184"	265.6199495	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+H+NH4"	19.041099
"733777"	393.6696495	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+H+NH4"	19.041099
"1491861"	137.5702495	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H+NH4"	19.041099
"406649"	535.188018	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+Na"	22.989218
"763996"	791.287418	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+Na"	22.989218
"1615376"	279.088618	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Na"	22.989218
"328697"	268.097647	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+H+Na"	23.996494
"720521"	396.147347	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+H+Na"	23.996494
"1475671"	140.047947	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H+Na"	23.996494
"1063807"	93.7010566666667	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2H+Na"	25.00377
"1272135"	289.132886	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+CH3OH+H"	33.033486
"388436"	551.161958	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+K"	38.963158
"751618"	807.261358	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+K"	38.963158
"1550390"	295.062558	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+K"	38.963158
"309750"	276.084617	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+H+K"	39.970434
"697798"	404.134317	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+H+K"	39.970434
"1458914"	148.034917	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H+K"	39.970434
"248249"	554.232626	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+ACN+H"	42.033826
"1217305"	298.133226	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+ACN+H"	42.033826
"1206294"	149.570251	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+ACN+2H"	43.041102
"197340"	557.16996	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+2Na-H"	44.97116
"633620"	813.26936	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+2Na-H"	44.97116
"1141502"	301.07056	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2Na-H"	44.97116
"181509"	279.088618	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+2Na"	45.978436
"619975"	407.138318	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+2Na"	45.978436
"1122388"	151.038918	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2Na"	45.978436
"1403725"	101.028370666667	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H+2Na"	46.985712
"1432559"	303.112146	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H+HCOOH"	47.012746
"224441"	284.12164	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+3H2O+2H"	56.04448
"1513596"	317.16419	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+IsoProp+H"	61.06479
"418754"	287.075588	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+Na+K"	61.952376
"782304"	415.125288	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+Na+K"	61.952376
"1676084"	159.025888	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Na+K"	61.952376
"261513"	576.214568	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+ACN+Na"	64.015768
"1234219"	320.115168	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+ACN+Na"	64.015768
"1713995"	320.138693	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+NH4+HCOOH"	64.039293
"1189556"	108.355684666667	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+3Na"	68.967654
"1655074"	325.094088	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Na+HCOOH"	68.994688
"160840"	589.11784	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+2K-H"	76.91904
"600403"	845.21724	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+2K-H"	76.91904
"1094761"	333.01844	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2K-H"	76.91904
"149390"	295.062558	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"2M+2K"	77.926316
"590045"	423.112258	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"3M+2K"	77.926316
"1081119"	167.012858	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2K"	77.926316
"1113236"	335.032992	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2K+H"	78.933592
"1350233"	335.120607	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+DMSO+H"	79.021207
"1013777"	339.159776	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2ACN+H"	83.060376
"1538831"	340.153408	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+IsoProp+Na+H"	84.054008
"1004187"	170.083526	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+2ACN+2H"	84.067652
"1600149"	341.068028	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+K+HCOOH"	84.968628
"1425078"	371.099538	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+H+CF3COOH"	115.000138
"1157553"	190.596801	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+3ACN+2H"	125.094202
"1704918"	388.126085	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+NH4+CF3COOH"	132.026685
"1642756"	393.08148	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+Na+CF3COOH"	136.98208
"1581690"	409.05542	"C19112"	"Buthidazole"	"C10H16N4O2S"	"256.0994"	"M+K+CF3COOH"	152.95602
"808777"	79.9687	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M"	0
"977935"	60.95031	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-H2O-H"	-19.01839
"68366"	52.3051906666667	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M-3H"	-3.021828
"513395"	78.961424	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M-3H"	-3.021828
"886822"	25.6489573333333	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-3H"	-3.021828
"13419"	78.961424	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M-2H"	-2.014552
"452252"	118.945774	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M-2H"	-2.014552
"828230"	38.977074	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-2H"	-2.014552
"87128"	158.930124	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M-H"	-1.007276
"522314"	238.898824	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M-H"	-1.007276
"904494"	78.961424	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-H"	-1.007276
"55588"	175.956671	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M-2H+NH4"	16.019271
"495149"	255.925371	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M-2H+NH4"	16.019271
"869668"	95.987971	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-2H+NH4"	16.019271
"34286"	180.912066	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M-2H+Na"	20.974666
"481506"	260.880766	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M-2H+Na"	20.974666
"857120"	100.943366	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-2H+Na"	20.974666
"1629936"	100.943366	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Na-2H"	20.974666
"103188"	96.949763	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M-H+Cl"	33.962126
"545665"	136.934113	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M-H+Cl"	33.962126
"937356"	56.965413	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-H+Cl"	33.962126
"278105"	194.906802	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+Cl"	34.969402
"674175"	274.875502	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+Cl"	34.969402
"1284024"	114.938102	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Cl"	34.969402
"30839"	196.886006	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M-2H+K"	36.948606
"468330"	276.854706	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M-2H+K"	36.948606
"846133"	116.917306	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-2H+K"	36.948606
"1566342"	116.917306	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+K-2H"	36.948606
"953858"	124.966894	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-H+HCOOH"	44.998194
"366969"	204.935601	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+HCOOH-H"	44.998201
"353769"	218.951251	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+Hac-H"	59.013851
"1498590"	138.982551	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Hac-H"	59.013851
"959933"	146.948851	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-H+NaCOOH"	66.980151
"111144"	114.938102	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+2Cl"	69.938804
"552409"	154.922452	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+2Cl"	69.938804
"1026678"	74.953752	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2Cl"	69.938804
"1242485"	158.887585	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Br"	78.918885
"1308704"	160.943572	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Cl+HCOOH"	80.974872
"1327295"	182.925529	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Cl+NaCOOH"	102.956829
"919450"	192.954286	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M-H+CF3COOH"	112.985586
"1298346"	228.930964	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Cl+CF3COOH"	148.962264
"1375413"	44.956024	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H-2H2O"	-35.012676
"1384162"	62.966	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H-H2O"	-17.0027
"290410"	160.944676	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+H"	1.007276
"680644"	240.913376	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+H"	1.007276
"1362461"	80.975976	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H"	1.007276
"129881"	80.975976	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+2H"	2.014552
"572722"	120.960326	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+2H"	2.014552
"1040063"	40.991626	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2H"	2.014552
"206139"	54.3197426666667	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+3H"	3.021828
"645705"	80.975976	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+3H"	3.021828
"1168205"	27.6635093333333	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+3H"	3.021828
"434762"	177.971223	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+NH4"	18.033823
"799409"	257.939923	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+NH4"	18.033823
"1696670"	98.002523	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+NH4"	18.033823
"341469"	89.4892495	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+H+NH4"	19.041099
"733887"	129.4735995	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+H+NH4"	19.041099
"1492213"	49.5048995	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H+NH4"	19.041099
"408095"	182.926618	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+Na"	22.989218
"767387"	262.895318	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+Na"	22.989218
"1615486"	102.957918	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Na"	22.989218
"328685"	91.966947	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+H+Na"	23.996494
"722292"	131.951297	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+H+Na"	23.996494
"1476874"	51.982597	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H+Na"	23.996494
"1065010"	34.9908233333333	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2H+Na"	25.00377
"1271674"	113.002186	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+CH3OH+H"	33.033486
"389639"	198.900558	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+K"	38.963158
"749538"	278.869258	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+K"	38.963158
"1548313"	118.931858	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+K"	38.963158
"307673"	99.953917	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+H+K"	39.970434
"694628"	139.938267	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+H+K"	39.970434
"1456837"	59.969567	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H+K"	39.970434
"244713"	201.971226	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+ACN+H"	42.033826
"1220694"	122.002526	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+ACN+H"	42.033826
"1202395"	61.504901	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+ACN+2H"	43.041102
"196356"	204.90856	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+2Na-H"	44.97116
"635916"	284.87726	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+2Na-H"	44.97116
"1140517"	124.93986	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2Na-H"	44.97116
"179430"	102.957918	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+2Na"	45.978436
"620085"	142.942268	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+2Na"	45.978436
"1123591"	62.973568	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2Na"	45.978436
"1406021"	42.3181373333333	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H+2Na"	46.985712
"1435948"	126.981446	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H+HCOOH"	47.012746
"227830"	107.99094	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+3H2O+2H"	56.04448
"1515892"	141.03349	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+IsoProp+H"	61.06479
"418864"	110.944888	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+Na+K"	61.952376
"779863"	150.929238	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+Na+K"	61.952376
"1668540"	70.960538	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Na+K"	61.952376
"257249"	223.953168	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+ACN+Na"	64.015768
"1229954"	143.984468	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+ACN+Na"	64.015768
"1714470"	144.007993	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+NH4+HCOOH"	64.039293
"1189666"	49.6454513333333	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+3Na"	68.967654
"1652997"	148.963388	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Na+HCOOH"	68.994688
"159492"	236.85644	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+2K-H"	76.91904
"600513"	316.82514	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+2K-H"	76.91904
"1091591"	156.88774	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2K-H"	76.91904
"149500"	118.931858	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"2M+2K"	77.926316
"590155"	158.916208	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"3M+2K"	77.926316
"1072477"	78.947508	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2K"	77.926316
"1110066"	158.902292	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2K+H"	78.933592
"1348639"	158.989907	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+DMSO+H"	79.021207
"1010607"	163.029076	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2ACN+H"	83.060376
"1525083"	164.022708	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+IsoProp+Na+H"	84.054008
"1002474"	82.018176	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+2ACN+2H"	84.067652
"1594059"	164.937328	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+K+HCOOH"	84.968628
"1424095"	194.968838	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+H+CF3COOH"	115.000138
"1152195"	102.531451	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+3ACN+2H"	125.094202
"1706121"	211.995385	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+NH4+CF3COOH"	132.026685
"1643959"	216.95078	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+Na+CF3COOH"	136.98208
"1581800"	232.92472	"C19113"	"Calcium carbimide"	"CaCN2"	"79.9687"	"M+K+CF3COOH"	152.95602
"812171"	237.9355	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M"	0
"985701"	218.91711	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-H2O-H"	-19.01839
"76132"	157.616390666667	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M-3H"	-3.021828
"512410"	236.928224	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M-3H"	-3.021828
"892401"	78.3045573333333	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-3H"	-3.021828
"12074"	236.928224	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M-2H"	-2.014552
"451633"	355.895974	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M-2H"	-2.014552
"828343"	117.960474	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-2H"	-2.014552
"89425"	474.863724	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M-H"	-1.007276
"528983"	712.799224	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M-H"	-1.007276
"906788"	236.928224	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-H"	-1.007276
"57885"	491.890271	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M-2H+NH4"	16.019271
"496352"	729.825771	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M-2H+NH4"	16.019271
"874151"	253.954771	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-2H+NH4"	16.019271
"43147"	496.845666	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M-2H+Na"	20.974666
"484535"	734.781166	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M-2H+Na"	20.974666
"858327"	258.910166	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-2H+Na"	20.974666
"1630782"	258.910166	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Na-2H"	20.974666
"103298"	254.916563	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M-H+Cl"	33.962126
"541765"	373.884313	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M-H+Cl"	33.962126
"934186"	135.948813	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-H+Cl"	33.962126
"278215"	510.840402	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+Cl"	34.969402
"672824"	748.775902	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+Cl"	34.969402
"1287785"	272.904902	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Cl"	34.969402
"29972"	512.819606	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M-2H+K"	36.948606
"470626"	750.755106	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M-2H+K"	36.948606
"842960"	274.884106	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-2H+K"	36.948606
"1563167"	274.884106	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+K-2H"	36.948606
"952145"	282.933694	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-H+HCOOH"	44.998194
"367079"	520.869201	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+HCOOH-H"	44.998201
"353878"	534.884851	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+Hac-H"	59.013851
"1498700"	296.949351	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Hac-H"	59.013851
"962595"	304.915651	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-H+NaCOOH"	66.980151
"112958"	272.904902	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+2Cl"	69.938804
"553247"	391.872652	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+2Cl"	69.938804
"1024962"	153.937152	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2Cl"	69.938804
"1243566"	316.854385	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Br"	78.918885
"1308814"	318.910372	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Cl+HCOOH"	80.974872
"1327406"	340.892329	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Cl+NaCOOH"	102.956829
"922841"	350.921086	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M-H+CF3COOH"	112.985586
"1298455"	386.897764	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Cl+CF3COOH"	148.962264
"1375526"	202.922824	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H-2H2O"	-35.012676
"1389740"	220.9328	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H-H2O"	-17.0027
"293437"	476.878276	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+H"	1.007276
"684034"	714.813776	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+H"	1.007276
"1357469"	238.942776	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H"	1.007276
"129629"	238.942776	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+2H"	2.014552
"571738"	357.910526	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+2H"	2.014552
"1041631"	119.975026	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2H"	2.014552
"208436"	159.630942666667	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+3H"	3.021828
"645816"	238.942776	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+3H"	3.021828
"1168319"	80.3191093333333	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+3H"	3.021828
"438524"	493.904823	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+NH4"	18.033823
"798057"	731.840323	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+NH4"	18.033823
"1686734"	255.969323	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+NH4"	18.033823
"342310"	247.4560495	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+H+NH4"	19.041099
"732908"	366.4237995	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+H+NH4"	19.041099
"1492573"	128.4882995	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H+NH4"	19.041099
"403222"	498.860218	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+Na"	22.989218
"765310"	736.795718	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+Na"	22.989218
"1618390"	260.924718	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Na"	22.989218
"329905"	249.933747	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+H+Na"	23.996494
"722564"	368.901497	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+H+Na"	23.996494
"1476944"	130.965997	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H+Na"	23.996494
"1065121"	87.6464233333333	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2H+Na"	25.00377
"1271662"	270.968986	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+CH3OH+H"	33.033486
"390475"	514.834158	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+K"	38.963158
"749647"	752.769658	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+K"	38.963158
"1545140"	276.898658	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+K"	38.963158
"301221"	257.920717	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+H+K"	39.970434
"695831"	376.888467	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+H+K"	39.970434
"1457311"	138.952967	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H+K"	39.970434
"244824"	517.904826	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+ACN+H"	42.033826
"1221904"	279.969326	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+ACN+H"	42.033826
"1202505"	140.488301	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+ACN+2H"	43.041102
"197560"	520.84216	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+2Na-H"	44.97116
"637122"	758.77766	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+2Na-H"	44.97116
"1140629"	282.90666	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2Na-H"	44.97116
"183915"	260.924718	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+2Na"	45.978436
"619100"	379.892468	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+2Na"	45.978436
"1126981"	141.956968	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2Na"	45.978436
"1407224"	94.9737373333333	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H+2Na"	46.985712
"1442623"	284.948246	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H+HCOOH"	47.012746
"229035"	265.95774	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+3H2O+2H"	56.04448
"1523542"	299.00029	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+IsoProp+H"	61.06479
"416785"	268.911688	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+Na+K"	61.952376
"779972"	387.879438	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+Na+K"	61.952376
"1671930"	149.943938	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Na+K"	61.952376
"254079"	539.886768	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+ACN+Na"	64.015768
"1229335"	301.951268	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+ACN+Na"	64.015768
"1717857"	301.974793	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+NH4+HCOOH"	64.039293
"1186495"	102.301051333333	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+3Na"	68.967654
"1657481"	306.930188	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Na+HCOOH"	68.994688
"158751"	552.79004	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+2K-H"	76.91904
"601717"	790.72554	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+2K-H"	76.91904
"1094980"	314.85454	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2K-H"	76.91904
"150704"	276.898658	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"2M+2K"	77.926316
"588077"	395.866408	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"3M+2K"	77.926316
"1080252"	157.930908	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2K"	77.926316
"1113456"	316.869092	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2K+H"	78.933592
"1349841"	316.956707	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+DMSO+H"	79.021207
"1010716"	320.995876	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2ACN+H"	83.060376
"1536503"	321.989508	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+IsoProp+Na+H"	84.054008
"1002949"	161.001576	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+2ACN+2H"	84.067652
"1600367"	322.904128	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+K+HCOOH"	84.968628
"1425299"	352.935638	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+H+CF3COOH"	115.000138
"1152305"	181.514851	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+3ACN+2H"	125.094202
"1706232"	369.962185	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+NH4+CF3COOH"	132.026685
"1644069"	374.91758	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+Na+CF3COOH"	136.98208
"1581910"	390.89152	"C19114"	"Chlorfenac"	"C8H5Cl3O2"	"237.9355"	"M+K+CF3COOH"	152.95602
"808996"	232.0058	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M"	0
"985811"	212.98741	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-H2O-H"	-19.01839
"71865"	153.663257333333	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M-3H"	-3.021828
"513612"	230.998524	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M-3H"	-3.021828
"887042"	76.3279906666667	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-3H"	-3.021828
"12184"	230.998524	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M-2H"	-2.014552
"453565"	347.001424	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M-2H"	-2.014552
"828453"	114.995624	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-2H"	-2.014552
"90628"	463.004324	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M-H"	-1.007276
"530186"	695.010124	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M-H"	-1.007276
"909084"	230.998524	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-H"	-1.007276
"60180"	480.030871	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M-2H+NH4"	16.019271
"498648"	712.036671	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M-2H+NH4"	16.019271
"870981"	248.025071	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-2H+NH4"	16.019271
"41070"	484.986266	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M-2H+Na"	20.974666
"484646"	716.992066	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M-2H+Na"	20.974666
"859530"	252.980466	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-2H+Na"	20.974666
"1632350"	252.980466	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Na-2H"	20.974666
"103408"	248.986863	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M-H+Cl"	33.962126
"542968"	364.989763	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M-H+Cl"	33.962126
"935389"	132.983963	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-H+Cl"	33.962126
"277231"	498.981002	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+Cl"	34.969402
"667467"	730.986802	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+Cl"	34.969402
"1287977"	266.975202	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Cl"	34.969402
"30082"	500.960206	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M-2H+K"	36.948606
"470736"	732.966006	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M-2H+K"	36.948606
"844163"	268.954406	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-2H+K"	36.948606
"1563277"	268.954406	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+K-2H"	36.948606
"951161"	277.003994	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-H+HCOOH"	44.998194
"366096"	509.009801	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+HCOOH-H"	44.998201
"353259"	523.025451	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+Hac-H"	59.013851
"1498810"	291.019651	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Hac-H"	59.013851
"962705"	298.985951	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-H+NaCOOH"	66.980151
"114161"	266.975202	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+2Cl"	69.938804
"554815"	382.978102	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+2Cl"	69.938804
"1026165"	150.972302	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2Cl"	69.938804
"1242462"	310.924685	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Br"	78.918885
"1308194"	312.980672	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Cl+HCOOH"	80.974872
"1327516"	334.962629	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Cl+NaCOOH"	102.956829
"922951"	344.991386	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M-H+CF3COOH"	112.985586
"1300751"	380.968064	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Cl+CF3COOH"	148.962264
"1378550"	196.993124	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H-2H2O"	-35.012676
"1387663"	215.0031	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H-H2O"	-17.0027
"293546"	465.018876	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+H"	1.007276
"681957"	697.024676	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+H"	1.007276
"1357215"	233.013076	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H"	1.007276
"129011"	233.013076	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+2H"	2.014552
"569662"	349.015976	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+2H"	2.014552
"1041741"	117.010176	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2H"	2.014552
"208549"	155.677809333333	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+3H"	3.021828
"647016"	233.013076	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+3H"	3.021828
"1166237"	78.3425426666667	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+3H"	3.021828
"437903"	482.045423	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+NH4"	18.033823
"795980"	714.051223	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+NH4"	18.033823
"1685750"	250.039623	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+NH4"	18.033823
"339504"	241.5263495	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+H+NH4"	19.041099
"734110"	357.5292495	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+H+NH4"	19.041099
"1491216"	125.5234495	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H+NH4"	19.041099
"406611"	487.000818	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+Na"	22.989218
"766513"	719.006618	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+Na"	22.989218
"1616802"	254.995018	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Na"	22.989218
"329678"	244.004047	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+H+Na"	23.996494
"722220"	360.006947	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+H+Na"	23.996494
"1475633"	128.001147	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H+Na"	23.996494
"1065231"	85.6698566666667	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2H+Na"	25.00377
"1268003"	265.039286	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+CH3OH+H"	33.033486
"392042"	502.974758	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+K"	38.963158
"746477"	734.980558	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+K"	38.963158
"1541970"	270.968958	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+K"	38.963158
"300965"	251.991017	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+H+K"	39.970434
"697033"	367.993917	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+H+K"	39.970434
"1458513"	135.988117	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H+K"	39.970434
"244934"	506.045426	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+ACN+H"	42.033826
"1220555"	274.039626	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+ACN+H"	42.033826
"1203706"	137.523451	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+ACN+2H"	43.041102
"199855"	508.98276	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+2Na-H"	44.97116
"640147"	740.98856	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+2Na-H"	44.97116
"1144745"	276.97696	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2Na-H"	44.97116
"181838"	254.995018	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+2Na"	45.978436
"623586"	370.997918	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+2Na"	45.978436
"1119435"	138.992118	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2Na"	45.978436
"1401865"	92.9971706666667	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H+2Na"	46.985712
"1442733"	279.018546	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H+HCOOH"	47.012746
"230238"	260.02804	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+3H2O+2H"	56.04448
"1521585"	293.07059	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+IsoProp+H"	61.06479
"416895"	262.981988	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+Na+K"	61.952376
"774614"	378.984888	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+Na+K"	61.952376
"1670944"	146.979088	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Na+K"	61.952376
"254189"	528.027368	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+ACN+Na"	64.015768
"1227622"	296.021568	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+ACN+Na"	64.015768
"1715780"	296.045093	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+NH4+HCOOH"	64.039293
"1183324"	100.324484666667	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+3Na"	68.967654
"1652484"	301.000488	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Na+HCOOH"	68.994688
"159830"	540.93064	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+2K-H"	76.91904
"600734"	772.93644	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+2K-H"	76.91904
"1091809"	308.92484	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2K-H"	76.91904
"150814"	270.968958	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"2M+2K"	77.926316
"589280"	386.971858	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"3M+2K"	77.926316
"1078169"	154.966058	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2K"	77.926316
"1110285"	310.939392	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2K+H"	78.933592
"1350685"	311.027007	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+DMSO+H"	79.021207
"1014106"	315.066176	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2ACN+H"	83.060376
"1536607"	316.059808	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+IsoProp+Na+H"	84.054008
"1003059"	158.036726	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+2ACN+2H"	84.067652
"1600841"	316.974428	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+K+HCOOH"	84.968628
"1428325"	347.005938	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+H+CF3COOH"	115.000138
"1152415"	178.550001	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+3ACN+2H"	125.094202
"1706342"	364.032485	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+NH4+CF3COOH"	132.026685
"1644179"	368.98788	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+Na+CF3COOH"	136.98208
"1578740"	384.96182	"C19115"	"Chlorfenprop-methyl"	"C10H10Cl2O2"	"232.0058"	"M+K+CF3COOH"	152.95602
"809106"	186.0793	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M"	0
"985921"	167.06091	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-H2O-H"	-19.01839
"71976"	123.045590666667	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M-3H"	-3.021828
"512629"	185.072024	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M-3H"	-3.021828
"889339"	61.0191573333333	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-3H"	-3.021828
"13388"	185.072024	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M-2H"	-2.014552
"454768"	278.111674	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M-2H"	-2.014552
"829657"	92.032374	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-2H"	-2.014552
"90374"	371.151324	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M-H"	-1.007276
"527017"	557.230624	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M-H"	-1.007276
"908102"	185.072024	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-H"	-1.007276
"59926"	388.177871	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M-2H+NH4"	16.019271
"500216"	574.257171	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M-2H+NH4"	16.019271
"874371"	202.098571	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-2H+NH4"	16.019271
"43732"	393.133266	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M-2H+Na"	20.974666
"484756"	579.212566	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M-2H+Na"	20.974666
"858546"	207.053966	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-2H+Na"	20.974666
"1633189"	207.053966	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Na-2H"	20.974666
"101331"	203.060363	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M-H+Cl"	33.962126
"543078"	296.100013	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M-H+Cl"	33.962126
"936228"	110.020713	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-H+Cl"	33.962126
"276976"	407.128002	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+Cl"	34.969402
"668670"	593.207302	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+Cl"	34.969402
"1288416"	221.048702	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Cl"	34.969402
"31008"	409.107206	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M-2H+K"	36.948606
"467566"	595.186506	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M-2H+K"	36.948606
"847313"	223.027906	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-2H+K"	36.948606
"1571156"	223.027906	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+K-2H"	36.948606
"953458"	231.077494	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-H+HCOOH"	44.998194
"369486"	417.156801	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+HCOOH-H"	44.998201
"353369"	431.172451	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+Hac-H"	59.013851
"1498920"	245.093151	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Hac-H"	59.013851
"963180"	253.059451	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-H+NaCOOH"	66.980151
"113542"	221.048702	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+2Cl"	69.938804
"554925"	314.088352	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+2Cl"	69.938804
"1027005"	128.009052	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2Cl"	69.938804
"1242936"	264.998185	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Br"	78.918885
"1308304"	267.054172	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Cl+HCOOH"	80.974872
"1324710"	289.036129	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Cl+NaCOOH"	102.956829
"923061"	299.064886	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M-H+CF3COOH"	112.985586
"1302320"	335.041564	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Cl+CF3COOH"	148.962264
"1381458"	151.066624	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H-2H2O"	-35.012676
"1389960"	169.0766	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H-H2O"	-17.0027
"294020"	373.165876	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+H"	1.007276
"682067"	559.245176	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+H"	1.007276
"1357325"	187.086576	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H"	1.007276
"135682"	187.086576	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+2H"	2.014552
"569043"	280.126226	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+2H"	2.014552
"1041851"	94.046926	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2H"	2.014552
"207566"	125.060142666667	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+3H"	3.021828
"645668"	187.086576	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+3H"	3.021828
"1169630"	63.0337093333333	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+3H"	3.021828
"434002"	390.192423	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+NH4"	18.033823
"789527"	576.271723	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+NH4"	18.033823
"1690235"	204.113123	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+NH4"	18.033823
"343255"	195.5998495	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+H+NH4"	19.041099
"734215"	288.6394995	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+H+NH4"	19.041099
"1491200"	102.5601995	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H+NH4"	19.041099
"406721"	395.147818	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+Na"	22.989218
"768688"	581.227118	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+Na"	22.989218
"1617761"	209.068518	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Na"	22.989218
"328771"	198.077547	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+H+Na"	23.996494
"722456"	291.117197	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+H+Na"	23.996494
"1476719"	105.037897	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H+Na"	23.996494
"1068100"	70.3610233333333	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2H+Na"	25.00377
"1271273"	219.112786	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+CH3OH+H"	33.033486
"388873"	411.121758	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+K"	38.963158
"752055"	597.201058	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+K"	38.963158
"1551921"	225.042458	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+K"	38.963158
"305814"	206.064517	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+H+K"	39.970434
"699332"	299.104167	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+H+K"	39.970434
"1456436"	113.024867	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H+K"	39.970434
"248324"	414.192426	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+ACN+H"	42.033826
"1223950"	228.113126	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+ACN+H"	42.033826
"1204911"	114.560201	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+ACN+2H"	43.041102
"198871"	417.12976	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+2Na-H"	44.97116
"640257"	603.20906	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+2Na-H"	44.97116
"1144127"	231.05046	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2Na-H"	44.97116
"180855"	209.068518	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+2Na"	45.978436
"621509"	302.108168	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+2Na"	45.978436
"1120274"	116.028868	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2Na"	45.978436
"1401975"	77.6883373333333	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H+2Na"	46.985712
"1442478"	233.092046	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H+HCOOH"	47.012746
"230348"	214.10154	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+3H2O+2H"	56.04448
"1522424"	247.14409	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+IsoProp+H"	61.06479
"417005"	217.055488	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+Na+K"	61.952376
"779095"	310.095138	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+Na+K"	61.952376
"1670327"	124.015838	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Na+K"	61.952376
"254297"	436.174368	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+ACN+Na"	64.015768
"1230287"	250.095068	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+ACN+Na"	64.015768
"1717711"	250.118593	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+NH4+HCOOH"	64.039293
"1183434"	85.0156513333333	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+3Na"	68.967654
"1651867"	255.073988	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Na+HCOOH"	68.994688
"160548"	449.07764	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+2K-H"	76.91904
"600844"	635.15694	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+2K-H"	76.91904
"1091919"	262.99834	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2K-H"	76.91904
"153111"	225.042458	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"2M+2K"	77.926316
"593763"	318.082108	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"3M+2K"	77.926316
"1076092"	132.002808	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2K"	77.926316
"1106019"	265.012892	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2K+H"	78.933592
"1337661"	265.100507	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+DMSO+H"	79.021207
"1012029"	269.139676	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2ACN+H"	83.060376
"1536717"	270.133308	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+IsoProp+Na+H"	84.054008
"1003899"	135.073476	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+2ACN+2H"	84.067652
"1594389"	271.047928	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+K+HCOOH"	84.968628
"1422237"	301.079438	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+H+CF3COOH"	115.000138
"1152525"	155.586751	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+3ACN+2H"	125.094202
"1705359"	318.105985	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+NH4+CF3COOH"	132.026685
"1644289"	323.06138	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+Na+CF3COOH"	136.98208
"1582130"	339.03532	"C19116"	"Credazine"	"C11H10N2O"	"186.0793"	"M+K+CF3COOH"	152.95602
"801682"	185.0589	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M"	0
"982752"	166.04051	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-H2O-H"	-19.01839
"68807"	122.365324	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M-3H"	-3.021828
"512742"	184.051624	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M-3H"	-3.021828
"886169"	60.679024	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-3H"	-3.021828
"12772"	184.051624	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M-2H"	-2.014552
"451964"	276.581074	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M-2H"	-2.014552
"826485"	91.522174	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-2H"	-2.014552
"88664"	369.110524	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M-H"	-1.007276
"527133"	554.169424	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M-H"	-1.007276
"907123"	184.051624	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-H"	-1.007276
"57852"	386.137071	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M-2H+NH4"	16.019271
"494494"	571.195971	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M-2H+NH4"	16.019271
"867922"	201.078171	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-2H+NH4"	16.019271
"42750"	391.092466	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M-2H+Na"	20.974666
"484137"	576.151366	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M-2H+Na"	20.974666
"859750"	206.033566	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-2H+Na"	20.974666
"1629287"	206.033566	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Na-2H"	20.974666
"103264"	202.039963	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M-H+Cl"	33.962126
"544282"	294.569413	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M-H+Cl"	33.962126
"937434"	109.510513	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-H+Cl"	33.962126
"276357"	405.087202	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+Cl"	34.969402
"667685"	590.146102	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+Cl"	34.969402
"1287265"	220.028302	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Cl"	34.969402
"29209"	407.066406	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M-2H+K"	36.948606
"467676"	592.125306	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M-2H+K"	36.948606
"846937"	222.007506	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-2H+K"	36.948606
"1565685"	222.007506	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+K-2H"	36.948606
"955756"	230.057094	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-H+HCOOH"	44.998194
"369596"	415.116001	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+HCOOH-H"	44.998201
"352385"	429.131651	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+Hac-H"	59.013851
"1496114"	244.072751	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Hac-H"	59.013851
"963654"	252.039051	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-H+NaCOOH"	66.980151
"113653"	220.028302	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+2Cl"	69.938804
"550661"	312.557752	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+2Cl"	69.938804
"1025657"	127.498852	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2Cl"	69.938804
"1251071"	263.977785	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Br"	78.918885
"1316437"	266.033772	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Cl+HCOOH"	80.974872
"1325184"	288.015729	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Cl+NaCOOH"	102.956829
"925362"	298.044486	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M-H+CF3COOH"	112.985586
"1298789"	334.021164	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Cl+CF3COOH"	148.962264
"1380595"	150.046224	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H-2H2O"	-35.012676
"1390073"	168.0562	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H-H2O"	-17.0027
"287934"	371.125076	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+H"	1.007276
"687646"	556.183976	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+H"	1.007276
"1357435"	186.066176	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H"	1.007276
"137980"	186.066176	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+2H"	2.014552
"569885"	278.595626	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+2H"	2.014552
"1040141"	93.536726	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2H"	2.014552
"206217"	124.379876	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+3H"	3.021828
"646146"	186.066176	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+3H"	3.021828
"1168647"	62.693576	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+3H"	3.021828
"433020"	388.151623	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+NH4"	18.033823
"794014"	573.210523	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+NH4"	18.033823
"1689252"	203.092723	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+NH4"	18.033823
"340814"	194.5794495	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+H+NH4"	19.041099
"731045"	287.1088995	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+H+NH4"	19.041099
"1489244"	102.0499995	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H+NH4"	19.041099
"404644"	393.107018	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+Na"	22.989218
"765640"	578.165918	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+Na"	22.989218
"1617391"	208.048118	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Na"	22.989218
"328522"	197.057147	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+H+Na"	23.996494
"722119"	289.586597	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+H+Na"	23.996494
"1476098"	104.527697	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H+Na"	23.996494
"1068050"	70.02089	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2H+Na"	25.00377
"1270047"	218.092386	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+CH3OH+H"	33.033486
"390445"	409.080958	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+K"	38.963158
"751072"	594.139858	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+K"	38.963158
"1552031"	224.022058	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+K"	38.963158
"303738"	205.044117	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+H+K"	39.970434
"699442"	297.573567	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+H+K"	39.970434
"1456546"	112.514667	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H+K"	39.970434
"248437"	412.151626	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+ACN+H"	42.033826
"1222603"	227.092726	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+ACN+H"	42.033826
"1205022"	114.050001	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+ACN+2H"	43.041102
"199713"	415.08896	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+2Na-H"	44.97116
"641100"	600.14786	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+2Na-H"	44.97116
"1144241"	230.03006	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2Na-H"	44.97116
"182788"	208.048118	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+2Na"	45.978436
"621619"	300.577568	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+2Na"	45.978436
"1120748"	115.518668	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2Na"	45.978436
"1405000"	77.348204	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H+2Na"	46.985712
"1437483"	232.071646	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H+HCOOH"	47.012746
"228270"	213.08114	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+3H2O+2H"	56.04448
"1515967"	246.12369	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+IsoProp+H"	61.06479
"413834"	216.035088	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+Na+K"	61.952376
"773367"	308.564538	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+Na+K"	61.952376
"1669345"	123.505638	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Na+K"	61.952376
"258776"	434.133568	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+ACN+Na"	64.015768
"1228207"	249.074668	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+ACN+Na"	64.015768
"1716728"	249.098193	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+NH4+HCOOH"	64.039293
"1181354"	84.675518	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+3Na"	68.967654
"1652703"	254.053588	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Na+HCOOH"	68.994688
"160292"	447.03684	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+2K-H"	76.91904
"599861"	632.09574	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+2K-H"	76.91904
"1092029"	261.97794	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2K-H"	76.91904
"153221"	224.022058	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"2M+2K"	77.926316
"590593"	316.551508	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"3M+2K"	77.926316
"1072192"	131.492608	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2K"	77.926316
"1101147"	263.992492	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2K+H"	78.933592
"1337770"	264.080107	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+DMSO+H"	79.021207
"1009952"	268.119276	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2ACN+H"	83.060376
"1536827"	269.112908	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+IsoProp+Na+H"	84.054008
"993432"	134.563276	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+2ACN+2H"	84.067652
"1594499"	270.027528	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+K+HCOOH"	84.968628
"1422347"	300.059038	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+H+CF3COOH"	115.000138
"1150448"	155.076551	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+3ACN+2H"	125.094202
"1703281"	317.085585	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+NH4+CF3COOH"	132.026685
"1644399"	322.04098	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+Na+CF3COOH"	136.98208
"1582240"	338.01492	"C19117"	"Cyometrinil"	"C10H7N3O"	"185.0589"	"M+K+CF3COOH"	152.95602
"802764"	213.9251	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M"	0
"981770"	194.90671	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-H2O-H"	-19.01839
"73293"	141.609457333333	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M-3H"	-3.021828
"516135"	212.917824	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M-3H"	-3.021828
"893938"	70.3010906666667	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-3H"	-3.021828
"12881"	212.917824	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M-2H"	-2.014552
"450982"	319.880374	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M-2H"	-2.014552
"828421"	105.955274	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-2H"	-2.014552
"93280"	426.842924	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M-H"	-1.007276
"531622"	640.768024	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M-H"	-1.007276
"908694"	212.917824	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-H"	-1.007276
"58331"	443.869471	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M-2H+NH4"	16.019271
"498255"	657.794571	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M-2H+NH4"	16.019271
"876418"	229.944371	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-2H+NH4"	16.019271
"42131"	448.824866	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M-2H+Na"	20.974666
"485589"	662.749966	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M-2H+Na"	20.974666
"860593"	234.899766	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-2H+Na"	20.974666
"1632558"	234.899766	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Na-2H"	20.974666
"109090"	230.906163	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M-H+Cl"	33.962126
"548162"	337.868713	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M-H+Cl"	33.962126
"937544"	123.943613	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-H+Cl"	33.962126
"280479"	462.819602	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+Cl"	34.969402
"671078"	676.744702	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+Cl"	34.969402
"1287010"	248.894502	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Cl"	34.969402
"30782"	464.798806	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M-2H+K"	36.948606
"469612"	678.723906	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M-2H+K"	36.948606
"846683"	250.873706	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-2H+K"	36.948606
"1565794"	250.873706	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+K-2H"	36.948606
"952585"	258.923294	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-H+HCOOH"	44.998194
"369706"	472.848401	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+HCOOH-H"	44.998201
"350308"	486.864051	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+Hac-H"	59.013851
"1497679"	272.938951	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Hac-H"	59.013851
"959752"	280.905251	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-H+NaCOOH"	66.980151
"113764"	248.894502	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+2Cl"	69.938804
"554782"	355.857052	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+2Cl"	69.938804
"1030509"	141.931952	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2Cl"	69.938804
"1250088"	292.843985	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Br"	78.918885
"1314724"	294.899972	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Cl+HCOOH"	80.974872
"1333685"	316.881929	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Cl+NaCOOH"	102.956829
"926082"	326.910686	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M-H+CF3COOH"	112.985586
"1301087"	362.887364	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Cl+CF3COOH"	148.962264
"1377060"	178.912424	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H-2H2O"	-35.012676
"1389089"	196.9224	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H-H2O"	-17.0027
"292056"	428.857476	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+H"	1.007276
"682289"	642.782576	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+H"	1.007276
"1357545"	214.932376	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H"	1.007276
"139184"	214.932376	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+2H"	2.014552
"568171"	321.894926	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+2H"	2.014552
"1040252"	107.969826	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2H"	2.014552
"211070"	143.624009333333	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+3H"	3.021828
"647349"	214.932376	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+3H"	3.021828
"1167664"	72.3156426666667	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+3H"	3.021828
"432035"	445.884023	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+NH4"	18.033823
"796312"	659.809123	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+NH4"	18.033823
"1694105"	231.958923	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+NH4"	18.033823
"340923"	223.4456495	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+H+NH4"	19.041099
"736262"	330.4081995	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+H+NH4"	19.041099
"1489356"	116.4830995	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H+NH4"	19.041099
"406949"	450.839418	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+Na"	22.989218
"768673"	664.764518	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+Na"	22.989218
"1616044"	236.914318	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Na"	22.989218
"329239"	225.923347	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+H+Na"	23.996494
"722268"	332.885897	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+H+Na"	23.996494
"1473412"	118.960797	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H+Na"	23.996494
"1066293"	79.6429566666667	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2H+Na"	25.00377
"1270158"	246.958586	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+CH3OH+H"	33.033486
"385814"	466.813358	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+K"	38.963158
"753251"	680.738458	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+K"	38.963158
"1549956"	252.888258	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+K"	38.963158
"306039"	233.910317	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+H+K"	39.970434
"703930"	340.872867	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+H+K"	39.970434
"1459581"	126.947767	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H+K"	39.970434
"250006"	469.884026	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+ACN+H"	42.033826
"1221616"	255.958926	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+ACN+H"	42.033826
"1206591"	128.483101	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+ACN+2H"	43.041102
"201283"	472.82136	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+2Na-H"	44.97116
"641574"	686.74646	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+2Na-H"	44.97116
"1141066"	258.89626	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2Na-H"	44.97116
"185816"	236.914318	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+2Na"	45.978436
"619542"	343.876868	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+2Na"	45.978436
"1121954"	129.951768	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2Na"	45.978436
"1412042"	86.9702706666667	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H+2Na"	46.985712
"1434313"	260.937846	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H+HCOOH"	47.012746
"226195"	241.94734	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+3H2O+2H"	56.04448
"1512069"	274.98989	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+IsoProp+H"	61.06479
"413944"	244.901288	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+Na+K"	61.952376
"776033"	351.863838	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+Na+K"	61.952376
"1671278"	137.938738	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Na+K"	61.952376
"254517"	491.865968	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+ACN+Na"	64.015768
"1226859"	277.940868	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+ACN+Na"	64.015768
"1714287"	277.964393	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+NH4+HCOOH"	64.039293
"1181467"	94.2975846666667	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+3Na"	68.967654
"1652088"	282.919788	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Na+HCOOH"	68.994688
"169159"	504.76924	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+2K-H"	76.91904
"607627"	718.69434	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+2K-H"	76.91904
"1093233"	290.84414	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2K-H"	76.91904
"155035"	252.888258	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"2M+2K"	77.926316
"593864"	359.850808	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"3M+2K"	77.926316
"1074124"	145.925708	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2K"	77.926316
"1102227"	292.858692	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2K+H"	78.933592
"1339344"	292.946307	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+DMSO+H"	79.021207
"1010062"	296.985476	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2ACN+H"	83.060376
"1538759"	297.979108	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+IsoProp+Na+H"	84.054008
"1000109"	148.996376	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+2ACN+2H"	84.067652
"1597889"	298.893728	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+K+HCOOH"	84.968628
"1425736"	328.925238	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+H+CF3COOH"	115.000138
"1158215"	169.509651	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+3ACN+2H"	125.094202
"1705577"	345.951785	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+NH4+CF3COOH"	132.026685
"1644509"	350.90718	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+Na+CF3COOH"	136.98208
"1582350"	366.88112	"C19118"	"Dimexano"	"C4H6O2S4"	"213.9251"	"M+K+CF3COOH"	152.95602
"801422"	282.0852	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M"	0
"974373"	263.06681	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-H2O-H"	-19.01839
"74496"	187.049524	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M-3H"	-3.021828
"509682"	281.077924	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M-3H"	-3.021828
"892954"	93.021124	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-3H"	-3.021828
"15382"	281.077924	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M-2H"	-2.014552
"453644"	422.120524	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M-2H"	-2.014552
"832424"	140.035324	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-2H"	-2.014552
"93719"	563.163124	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M-H"	-1.007276
"532460"	845.248324	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M-H"	-1.007276
"910386"	281.077924	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-H"	-1.007276
"59167"	580.189671	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M-2H+NH4"	16.019271
"499822"	862.274871	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M-2H+NH4"	16.019271
"876892"	298.104471	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-2H+NH4"	16.019271
"42240"	585.145066	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M-2H+Na"	20.974666
"486023"	867.230266	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M-2H+Na"	20.974666
"862891"	303.059866	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-2H+Na"	20.974666
"1633284"	303.059866	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Na-2H"	20.974666
"109362"	299.066263	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M-H+Cl"	33.962126
"549449"	440.108863	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M-H+Cl"	33.962126
"938018"	158.023663	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-H+Cl"	33.962126
"281683"	599.139802	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+Cl"	34.969402
"674231"	881.225002	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+Cl"	34.969402
"1285782"	317.054602	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Cl"	34.969402
"29920"	601.119006	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M-2H+K"	36.948606
"467897"	883.204206	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M-2H+K"	36.948606
"846430"	319.033806	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-2H+K"	36.948606
"1568822"	319.033806	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+K-2H"	36.948606
"953424"	327.083394	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-H+HCOOH"	44.998194
"367630"	609.168601	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+HCOOH-H"	44.998201
"353699"	623.184251	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+Hac-H"	59.013851
"1497427"	341.099051	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Hac-H"	59.013851
"964605"	349.065351	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-H+NaCOOH"	66.980151
"113874"	317.054602	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+2Cl"	69.938804
"558541"	458.097202	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+2Cl"	69.938804
"1033173"	176.012002	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2Cl"	69.938804
"1251291"	361.004085	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Br"	78.918885
"1314832"	363.060072	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Cl+HCOOH"	80.974872
"1327961"	385.042029	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Cl+NaCOOH"	102.956829
"926435"	395.070786	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M-H+CF3COOH"	112.985586
"1304121"	431.047464	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Cl+CF3COOH"	148.962264
"1381180"	247.072524	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H-2H2O"	-35.012676
"1396854"	265.0825	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H-H2O"	-17.0027
"296541"	565.177676	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+H"	1.007276
"684586"	847.262876	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+H"	1.007276
"1360935"	283.092476	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H"	1.007276
"139294"	283.092476	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+2H"	2.014552
"571199"	424.135076	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+2H"	2.014552
"1042185"	142.049876	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2H"	2.014552
"212273"	189.064076	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+3H"	3.021828
"646365"	283.092476	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+3H"	3.021828
"1171054"	95.035676	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+3H"	3.021828
"432143"	582.204223	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+NH4"	18.033823
"794235"	864.289423	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+NH4"	18.033823
"1693853"	300.119023	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+NH4"	18.033823
"342493"	291.6057495	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+H+NH4"	19.041099
"736008"	432.6483495	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+H+NH4"	19.041099
"1490559"	150.5631495	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H+NH4"	19.041099
"407052"	587.159618	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+Na"	22.989218
"768664"	869.244818	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+Na"	22.989218
"1616152"	305.074418	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Na"	22.989218
"328982"	294.083447	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+H+Na"	23.996494
"719704"	435.126047	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+H+Na"	23.996494
"1475593"	153.040847	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H+Na"	23.996494
"1064582"	102.36299	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2H+Na"	25.00377
"1270997"	315.118686	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+CH3OH+H"	33.033486
"387018"	603.133558	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+K"	38.963158
"752754"	885.218758	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+K"	38.963158
"1548972"	321.048358	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+K"	38.963158
"303960"	302.070417	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+H+K"	39.970434
"704040"	443.113017	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+H+K"	39.970434
"1459327"	161.027817	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H+K"	39.970434
"249755"	606.204226	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+ACN+H"	42.033826
"1224403"	324.119026	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+ACN+H"	42.033826
"1206703"	162.563151	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+ACN+2H"	43.041102
"201395"	609.14156	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+2Na-H"	44.97116
"643388"	891.22676	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+2Na-H"	44.97116
"1144460"	327.05636	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2Na-H"	44.97116
"184833"	305.074418	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+2Na"	45.978436
"622933"	446.117018	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+2Na"	45.978436
"1128262"	164.031818	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2Na"	45.978436
"1413244"	109.690304	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H+2Na"	46.985712
"1440620"	329.097946	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H+HCOOH"	47.012746
"230680"	310.10744	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+3H2O+2H"	56.04448
"1510721"	343.14999	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+IsoProp+H"	61.06479
"414054"	313.061388	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+Na+K"	61.952376
"772861"	454.103988	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+Na+K"	61.952376
"1669200"	172.018788	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Na+K"	61.952376
"254991"	628.186168	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+ACN+Na"	64.015768
"1227699"	346.100968	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+ACN+Na"	64.015768
"1716220"	346.124493	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+NH4+HCOOH"	64.039293
"1183763"	117.017618	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+3Na"	68.967654
"1653290"	351.079888	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Na+HCOOH"	68.994688
"167082"	641.08944	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+2K-H"	76.91904
"604456"	923.17464	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+2K-H"	76.91904
"1093343"	359.00424	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2K-H"	76.91904
"156602"	321.048358	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"2M+2K"	77.926316
"595188"	462.090958	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"3M+2K"	77.926316
"1078609"	180.005758	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2K"	77.926316
"1101975"	361.018792	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2K+H"	78.933592
"1344922"	361.106407	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+DMSO+H"	79.021207
"1009078"	365.145576	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2ACN+H"	83.060376
"1539233"	366.139208	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+IsoProp+Na+H"	84.054008
"1002405"	183.076426	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+2ACN+2H"	84.067652
"1596905"	367.053828	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+K+HCOOH"	84.968628
"1424753"	397.085338	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+H+CF3COOH"	115.000138
"1159418"	203.589701	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+3ACN+2H"	125.094202
"1703501"	414.111885	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+NH4+CF3COOH"	132.026685
"1639151"	419.06728	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+Na+CF3COOH"	136.98208
"1582460"	435.04122	"C19119"	"Dinoseb acetate"	"C12H14N2O6"	"282.0852"	"M+K+CF3COOH"	152.95602
"802984"	241.9564	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M"	0
"974492"	222.93801	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-H2O-H"	-19.01839
"62930"	160.296990666667	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M-3H"	-3.021828
"509792"	240.949124	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M-3H"	-3.021828
"887592"	79.6448573333333	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-3H"	-3.021828
"13829"	240.949124	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M-2H"	-2.014552
"453754"	361.927324	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M-2H"	-2.014552
"832686"	119.970924	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-2H"	-2.014552
"93945"	482.905524	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M-H"	-1.007276
"530015"	724.861924	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M-H"	-1.007276
"911213"	240.949124	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-H"	-1.007276
"61829"	499.932071	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M-2H+NH4"	16.019271
"501753"	741.888471	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M-2H+NH4"	16.019271
"875908"	257.975671	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-2H+NH4"	16.019271
"42714"	504.887466	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M-2H+Na"	20.974666
"486868"	746.843866	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M-2H+Na"	20.974666
"864060"	262.931066	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-2H+Na"	20.974666
"1633717"	262.931066	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Na-2H"	20.974666
"109881"	258.937463	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M-H+Cl"	33.962126
"549769"	379.915663	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M-H+Cl"	33.962126
"938128"	137.959263	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-H+Cl"	33.962126
"281671"	518.882202	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+Cl"	34.969402
"674584"	760.838602	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+Cl"	34.969402
"1288083"	276.925802	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Cl"	34.969402
"30595"	520.861406	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M-2H+K"	36.948606
"470561"	762.817806	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M-2H+K"	36.948606
"847268"	278.905006	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-2H+K"	36.948606
"1566017"	278.905006	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+K-2H"	36.948606
"957181"	286.954594	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-H+HCOOH"	44.998194
"373573"	528.911001	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+HCOOH-H"	44.998201
"355633"	542.926651	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+Hac-H"	59.013851
"1501184"	300.970251	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Hac-H"	59.013851
"965808"	308.936551	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-H+NaCOOH"	66.980151
"114715"	276.925802	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+2Cl"	69.938804
"559744"	397.904002	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+2Cl"	69.938804
"1033283"	155.947602	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2Cl"	69.938804
"1250308"	320.875285	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Br"	78.918885
"1312755"	322.931272	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Cl+HCOOH"	80.974872
"1330257"	344.913229	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Cl+NaCOOH"	102.956829
"924234"	354.941986	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M-H+CF3COOH"	112.985586
"1303621"	390.918664	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Cl+CF3COOH"	148.962264
"1380196"	206.943724	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H-2H2O"	-35.012676
"1394777"	224.9537	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H-H2O"	-17.0027
"296650"	484.920076	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+H"	1.007276
"684696"	726.876476	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+H"	1.007276
"1358858"	242.963676	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H"	1.007276
"139769"	242.963676	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+2H"	2.014552
"568029"	363.941876	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+2H"	2.014552
"1042295"	121.985476	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2H"	2.014552
"212383"	162.311542666667	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+3H"	3.021828
"647568"	242.963676	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+3H"	3.021828
"1166789"	81.6594093333333	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+3H"	3.021828
"426778"	501.946623	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+NH4"	18.033823
"791423"	743.903023	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+NH4"	18.033823
"1688489"	259.990223	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+NH4"	18.033823
"343697"	251.4769495	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+H+NH4"	19.041099
"735754"	372.4551495	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+H+NH4"	19.041099
"1489212"	130.4987495	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H+NH4"	19.041099
"407528"	506.902018	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+Na"	22.989218
"768163"	748.858418	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+Na"	22.989218
"1616991"	264.945618	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Na"	22.989218
"328848"	253.954647	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+H+Na"	23.996494
"718720"	374.932847	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+H+Na"	23.996494
"1472541"	132.976447	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H+Na"	23.996494
"1064690"	88.9867233333333	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2H+Na"	25.00377
"1270377"	274.989886	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+CH3OH+H"	33.033486
"387128"	522.875958	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+K"	38.963158
"750677"	764.832358	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+K"	38.963158
"1549082"	280.919558	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+K"	38.963158
"304070"	261.941617	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+H+K"	39.970434
"704150"	382.919817	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+H+K"	39.970434
"1460818"	140.963417	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H+K"	39.970434
"250593"	525.946626	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+ACN+H"	42.033826
"1225363"	283.990226	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+ACN+H"	42.033826
"1208636"	142.498751	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+ACN+2H"	43.041102
"202235"	528.88396	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+2Na-H"	44.97116
"643498"	770.84036	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+2Na-H"	44.97116
"1145298"	286.92756	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2Na-H"	44.97116
"185307"	264.945618	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+2Na"	45.978436
"621949"	385.923818	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+2Na"	45.978436
"1122173"	143.967418	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2Na"	45.978436
"1407885"	96.3140373333333	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H+2Na"	46.985712
"1440731"	288.969146	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H+HCOOH"	47.012746
"224228"	269.97864	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+3H2O+2H"	56.04448
"1509495"	303.02119	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+IsoProp+H"	61.06479
"415257"	272.932588	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+Na+K"	61.952376
"772242"	393.910788	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+Na+K"	61.952376
"1668217"	151.954388	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Na+K"	61.952376
"253278"	547.928568	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+ACN+Na"	64.015768
"1227810"	305.972168	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+ACN+Na"	64.015768
"1714144"	305.995693	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+NH4+HCOOH"	64.039293
"1181686"	103.641351333333	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+3Na"	68.967654
"1652672"	310.951088	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Na+HCOOH"	68.994688
"167192"	560.83184	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+2K-H"	76.91904
"604566"	802.78824	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+2K-H"	76.91904
"1092360"	318.87544	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2K-H"	76.91904
"155497"	280.919558	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"2M+2K"	77.926316
"587644"	401.897758	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"3M+2K"	77.926316
"1078719"	159.941358	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2K"	77.926316
"1102085"	320.889992	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2K+H"	78.933592
"1342845"	320.977607	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+DMSO+H"	79.021207
"1009187"	325.016776	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2ACN+H"	83.060376
"1528408"	326.010408	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+IsoProp+Na+H"	84.054008
"1000325"	163.012026	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+2ACN+2H"	84.067652
"1591547"	326.925028	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+K+HCOOH"	84.968628
"1419395"	356.956538	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+H+CF3COOH"	115.000138
"1159528"	183.525301	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+3ACN+2H"	125.094202
"1705797"	373.983085	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+NH4+CF3COOH"	132.026685
"1640354"	378.93848	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+Na+CF3COOH"	136.98208
"1582570"	394.91242	"C19120"	"Dixanthogen;EXD"	"C6H10O2S4"	"241.9564"	"M+K+CF3COOH"	152.95602
"802001"	349.0176	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M"	0
"974510"	329.99921	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-H2O-H"	-19.01839
"63772"	231.671124	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M-3H"	-3.021828
"506620"	348.010324	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M-3H"	-3.021828
"885516"	115.331924	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-3H"	-3.021828
"15115"	348.010324	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M-2H"	-2.014552
"454228"	522.519124	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M-2H"	-2.014552
"832779"	173.501524	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-2H"	-2.014552
"94178"	697.027924	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M-H"	-1.007276
"531218"	1046.045524	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M-H"	-1.007276
"911216"	348.010324	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-H"	-1.007276
"61332"	714.054471	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M-2H+NH4"	16.019271
"501134"	1063.072071	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M-2H+NH4"	16.019271
"877111"	365.036871	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-2H+NH4"	16.019271
"42824"	719.009866	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M-2H+Na"	20.974666
"487012"	1068.027466	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M-2H+Na"	20.974666
"864207"	369.992266	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-2H+Na"	20.974666
"1633502"	369.992266	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Na-2H"	20.974666
"109873"	365.998663	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M-H+Cl"	33.962126
"545818"	540.507463	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M-H+Cl"	33.962126
"938238"	191.489863	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-H+Cl"	33.962126
"282390"	733.004602	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+Cl"	34.969402
"674697"	1082.022202	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+Cl"	34.969402
"1287220"	383.987002	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Cl"	34.969402
"31074"	734.983806	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M-2H+K"	36.948606
"470309"	1084.001406	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M-2H+K"	36.948606
"845920"	385.966206	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-2H+K"	36.948606
"1567220"	385.966206	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+K-2H"	36.948606
"957655"	394.015794	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-H+HCOOH"	44.998194
"376938"	743.033401	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+HCOOH-H"	44.998201
"355743"	757.049051	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+Hac-H"	59.013851
"1502751"	408.031451	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Hac-H"	59.013851
"965919"	415.997751	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-H+NaCOOH"	66.980151
"114825"	383.987002	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+2Cl"	69.938804
"558761"	558.495802	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+2Cl"	69.938804
"1033757"	209.478202	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2Cl"	69.938804
"1250418"	427.936485	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Br"	78.918885
"1312865"	429.992472	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Cl+HCOOH"	80.974872
"1329274"	451.974429	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Cl+NaCOOH"	102.956829
"924344"	462.003186	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M-H+CF3COOH"	112.985586
"1302877"	497.979864	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Cl+CF3COOH"	148.962264
"1380671"	314.004924	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H-2H2O"	-35.012676
"1393792"	332.0149	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H-H2O"	-17.0027
"294573"	699.042476	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+H"	1.007276
"684806"	1048.060076	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+H"	1.007276
"1358968"	350.024876	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H"	1.007276
"139879"	350.024876	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+2H"	2.014552
"569232"	524.533676	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+2H"	2.014552
"1043498"	175.516076	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2H"	2.014552
"213586"	233.685676	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+3H"	3.021828
"646585"	350.024876	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+3H"	3.021828
"1167992"	117.346476	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+3H"	3.021828
"426888"	716.069023	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+NH4"	18.033823
"792262"	1065.086623	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+NH4"	18.033823
"1688599"	367.051423	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+NH4"	18.033823
"342713"	358.5381495	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+H+NH4"	19.041099
"733312"	533.0469495	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+H+NH4"	19.041099
"1489685"	184.0293495	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H+NH4"	19.041099
"405448"	721.024418	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+Na"	22.989218
"764992"	1070.042018	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+Na"	22.989218
"1616372"	372.006818	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Na"	22.989218
"327499"	361.015847	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+H+Na"	23.996494
"718830"	535.524647	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+H+Na"	23.996494
"1472651"	186.507047	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H+Na"	23.996494
"1064800"	124.67379	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2H+Na"	25.00377
"1270850"	382.051086	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+CH3OH+H"	33.033486
"387238"	736.998358	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+K"	38.963158
"750421"	1086.015958	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+K"	38.963158
"1548099"	387.980758	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+K"	38.963158
"300900"	369.002817	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+H+K"	39.970434
"702073"	543.511617	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+H+K"	39.970434
"1460920"	194.494017	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H+K"	39.970434
"251405"	740.069026	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+ACN+H"	42.033826
"1224864"	391.051426	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+ACN+H"	42.033826
"1207650"	196.029351	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+ACN+2H"	43.041102
"201981"	743.00636	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+2Na-H"	44.97116
"641542"	1092.02396	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+2Na-H"	44.97116
"1143950"	393.98876	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2Na-H"	44.97116
"183229"	372.006818	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+2Na"	45.978436
"618779"	546.515618	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+2Na"	45.978436
"1120096"	197.498018	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2Na"	45.978436
"1404715"	132.001104	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H+2Na"	46.985712
"1437924"	396.030346	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H+HCOOH"	47.012746
"221421"	377.03984	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+3H2O+2H"	56.04448
"1508474"	410.08239	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+IsoProp+H"	61.06479
"409045"	379.993788	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+Na+K"	61.952376
"770407"	554.502588	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+Na+K"	61.952376
"1666868"	205.484988	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Na+K"	61.952376
"252009"	762.050968	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+ACN+Na"	64.015768
"1225631"	413.033368	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+ACN+Na"	64.015768
"1714254"	413.056893	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+NH4+HCOOH"	64.039293
"1180701"	139.328418	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+3Na"	68.967654
"1651322"	418.012288	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Na+HCOOH"	68.994688
"167302"	774.95424	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+2K-H"	76.91904
"601396"	1123.97184	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+2K-H"	76.91904
"1085539"	425.93664	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2K-H"	76.91904
"155607"	387.980758	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"2M+2K"	77.926316
"587754"	562.489558	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"3M+2K"	77.926316
"1073361"	213.471958	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2K"	77.926316
"1101464"	427.951192	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2K+H"	78.933592
"1339675"	428.038807	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+DMSO+H"	79.021207
"1006260"	432.077976	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2ACN+H"	83.060376
"1525238"	433.071608	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+IsoProp+Na+H"	84.054008
"990950"	216.542626	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+2ACN+2H"	84.067652
"1591657"	433.986228	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+K+HCOOH"	84.968628
"1419505"	464.017738	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+H+CF3COOH"	115.000138
"1158545"	237.055901	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+3ACN+2H"	125.094202
"1705907"	481.044285	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+NH4+CF3COOH"	132.026685
"1640464"	485.99968	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+Na+CF3COOH"	136.98208
"1582680"	501.97362	"C19121"	"Fenthiaprop"	"C16H12ClNO4S"	"349.0176"	"M+K+CF3COOH"	152.95602
"803205"	261.808	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M"	0
"974830"	242.78961	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-H2O-H"	-19.01839
"63313"	173.531390666667	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M-3H"	-3.021828
"506730"	260.800724	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M-3H"	-3.021828
"885626"	86.2620573333333	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-3H"	-3.021828
"12952"	260.800724	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M-2H"	-2.014552
"454218"	391.704724	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M-2H"	-2.014552
"832519"	129.896724	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-2H"	-2.014552
"94265"	522.608724	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M-H"	-1.007276
"532058"	784.416724	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M-H"	-1.007276
"911124"	260.800724	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-H"	-1.007276
"61322"	539.635271	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M-2H+NH4"	16.019271
"500518"	801.443271	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M-2H+NH4"	16.019271
"877221"	277.827271	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-2H+NH4"	16.019271
"42934"	544.590666	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M-2H+Na"	20.974666
"482501"	806.398666	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M-2H+Na"	20.974666
"861395"	282.782666	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-2H+Na"	20.974666
"1632272"	282.782666	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Na-2H"	20.974666
"109694"	278.789063	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M-H+Cl"	33.962126
"545928"	409.693063	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M-H+Cl"	33.962126
"939441"	147.885063	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-H+Cl"	33.962126
"281041"	558.585402	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+Cl"	34.969402
"674807"	820.393402	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+Cl"	34.969402
"1287819"	296.777402	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Cl"	34.969402
"30739"	560.564606	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M-2H+K"	36.948606
"470906"	822.372606	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M-2H+K"	36.948606
"846761"	298.756606	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-2H+K"	36.948606
"1565144"	298.756606	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+K-2H"	36.948606
"956308"	306.806194	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-H+HCOOH"	44.998194
"375981"	568.614201	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+HCOOH-H"	44.998201
"357312"	582.629851	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+Hac-H"	59.013851
"1502497"	320.821851	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Hac-H"	59.013851
"966029"	328.788151	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-H+NaCOOH"	66.980151
"112384"	296.777402	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+2Cl"	69.938804
"557778"	427.681402	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+2Cl"	69.938804
"1030951"	165.873402	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2Cl"	69.938804
"1248342"	340.726885	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Br"	78.918885
"1310789"	342.782872	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Cl+HCOOH"	80.974872
"1329384"	364.764829	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Cl+NaCOOH"	102.956829
"925184"	374.793586	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M-H+CF3COOH"	112.985586
"1303350"	410.770264	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Cl+CF3COOH"	148.962264
"1380052"	226.795324	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H-2H2O"	-35.012676
"1393902"	244.8053	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H-H2O"	-17.0027
"294682"	524.623276	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+H"	1.007276
"682729"	786.431276	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+H"	1.007276
"1357985"	262.815276	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H"	1.007276
"136343"	262.815276	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+2H"	2.014552
"568247"	393.719276	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+2H"	2.014552
"1039353"	131.911276	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2H"	2.014552
"206402"	175.545942666667	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+3H"	3.021828
"644459"	262.815276	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+3H"	3.021828
"1162842"	88.2766093333333	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+3H"	3.021828
"424602"	541.649823	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+NH4"	18.033823
"791279"	803.457823	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+NH4"	18.033823
"1686522"	279.841823	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+NH4"	18.033823
"341727"	271.3285495	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+H+NH4"	19.041099
"732689"	402.2325495	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+H+NH4"	19.041099
"1489427"	140.4245495	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H+NH4"	19.041099
"404826"	546.605218	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+Na"	22.989218
"764007"	808.413218	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+Na"	22.989218
"1615025"	284.797218	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Na"	22.989218
"324328"	273.806247	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+H+Na"	23.996494
"717483"	404.710247	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+H+Na"	23.996494
"1470575"	142.902247	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H+Na"	23.996494
"1064910"	95.6039233333333	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2H+Na"	25.00377
"1269867"	294.841486	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+CH3OH+H"	33.033486
"387348"	562.579158	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+K"	38.963158
"752354"	824.387158	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+K"	38.963158
"1548209"	300.771158	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+K"	38.963158
"303196"	281.793217	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+H+K"	39.970434
"702183"	412.697217	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+H+K"	39.970434
"1460585"	150.889217	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H+K"	39.970434
"250327"	565.649826	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+ACN+H"	42.033826
"1224732"	303.841826	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+ACN+H"	42.033826
"1205936"	152.424551	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+ACN+2H"	43.041102
"200630"	568.58716	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+2Na-H"	44.97116
"641286"	830.39516	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+2Na-H"	44.97116
"1144059"	306.77916	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2Na-H"	44.97116
"184069"	284.797218	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+2Na"	45.978436
"621076"	415.701218	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+2Na"	45.978436
"1119113"	153.893218	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2Na"	45.978436
"1407012"	102.931237333333	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H+2Na"	46.985712
"1435848"	308.820746	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H+HCOOH"	47.012746
"221168"	289.83024	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+3H2O+2H"	56.04448
"1508599"	322.87279	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+IsoProp+H"	61.06479
"408672"	292.784188	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+Na+K"	61.952376
"770396"	423.688188	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+Na+K"	61.952376
"1671717"	161.880188	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Na+K"	61.952376
"254956"	587.631768	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+ACN+Na"	64.015768
"1228760"	325.823768	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+ACN+Na"	64.015768
"1717644"	325.847293	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+NH4+HCOOH"	64.039293
"1184091"	110.258551333333	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+3Na"	68.967654
"1652890"	330.802688	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Na+HCOOH"	68.994688
"167412"	600.53504	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+2K-H"	76.91904
"603692"	862.34304	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+2K-H"	76.91904
"1086743"	338.72704	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2K-H"	76.91904
"151584"	300.771158	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"2M+2K"	77.926316
"584583"	431.675158	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"3M+2K"	77.926316
"1073471"	169.867158	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2K"	77.926316
"1101212"	340.741592	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2K+H"	78.933592
"1339785"	340.829207	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+DMSO+H"	79.021207
"1006613"	344.868376	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2ACN+H"	83.060376
"1528628"	345.862008	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+IsoProp+Na+H"	84.054008
"990701"	172.937826	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+2ACN+2H"	84.067652
"1593954"	346.776628	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+K+HCOOH"	84.968628
"1420708"	376.808138	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+H+CF3COOH"	115.000138
"1159749"	193.451101	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+3ACN+2H"	125.094202
"1706017"	393.834685	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+NH4+CF3COOH"	132.026685
"1641667"	398.79008	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+Na+CF3COOH"	136.98208
"1582790"	414.76402	"C19122"	"Hexachloroacetone"	"C3Cl6O"	"261.808"	"M+K+CF3COOH"	152.95602
"803315"	259.9755	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M"	0
"975383"	240.95711	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-H2O-H"	-19.01839
"63626"	172.309724	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M-3H"	-3.021828
"506840"	258.968224	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M-3H"	-3.021828
"885736"	85.651224	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-3H"	-3.021828
"15494"	258.968224	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M-2H"	-2.014552
"455346"	388.955974	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M-2H"	-2.014552
"832505"	128.980474	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-2H"	-2.014552
"94159"	518.943724	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M-H"	-1.007276
"532900"	778.919224	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M-H"	-1.007276
"910954"	258.968224	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-H"	-1.007276
"62043"	535.970271	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M-2H+NH4"	16.019271
"502209"	795.945771	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M-2H+NH4"	16.019271
"877697"	275.994771	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-2H+NH4"	16.019271
"41951"	540.925666	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M-2H+Na"	20.974666
"484797"	800.901166	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M-2H+Na"	20.974666
"858224"	280.950166	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-2H+Na"	20.974666
"1632503"	280.950166	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Na-2H"	20.974666
"109156"	276.956563	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M-H+Cl"	33.962126
"548471"	406.944313	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M-H+Cl"	33.962126
"939551"	146.968813	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-H+Cl"	33.962126
"280179"	554.920402	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+Cl"	34.969402
"671635"	814.895902	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+Cl"	34.969402
"1286591"	294.944902	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Cl"	34.969402
"29753"	556.899606	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M-2H+K"	36.948606
"469435"	816.875106	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M-2H+K"	36.948606
"842860"	296.924106	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-2H+K"	36.948606
"1568534"	296.924106	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+K-2H"	36.948606
"955323"	304.973694	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-H+HCOOH"	44.998194
"374268"	564.949201	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+HCOOH-H"	44.998201
"358150"	578.964851	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+Hac-H"	59.013851
"1499691"	318.989351	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Hac-H"	59.013851
"967233"	326.955651	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-H+NaCOOH"	66.980151
"112130"	294.944902	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+2Cl"	69.938804
"558981"	424.932652	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+2Cl"	69.938804
"1031061"	164.957152	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2Cl"	69.938804
"1248452"	338.894385	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Br"	78.918885
"1309440"	340.950372	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Cl+HCOOH"	80.974872
"1330587"	362.932329	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Cl+NaCOOH"	102.956829
"924929"	372.961086	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M-H+CF3COOH"	112.985586
"1301637"	408.937764	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Cl+CF3COOH"	148.962264
"1379796"	224.962824	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H-2H2O"	-35.012676
"1394012"	242.9728	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H-H2O"	-17.0027
"294792"	520.958276	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+H"	1.007276
"682839"	780.933776	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+H"	1.007276
"1357001"	260.982776	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H"	1.007276
"136453"	260.982776	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+2H"	2.014552
"565830"	390.970526	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+2H"	2.014552
"1039342"	130.995026	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2H"	2.014552
"205177"	174.324276	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+3H"	3.021828
"644302"	260.982776	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+3H"	3.021828
"1163469"	87.665776	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+3H"	3.021828
"424555"	537.984823	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+NH4"	18.033823
"793576"	797.960323	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+NH4"	18.033823
"1688819"	278.009323	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+NH4"	18.033823
"340379"	269.4960495	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+H+NH4"	19.041099
"725144"	399.4837995	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+H+NH4"	19.041099
"1489901"	139.5082995	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H+NH4"	19.041099
"404207"	542.940218	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+Na"	22.989218
"765210"	802.915718	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+Na"	22.989218
"1614399"	282.964718	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Na"	22.989218
"327717"	271.973747	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+H+Na"	23.996494
"716865"	401.961497	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+H+Na"	23.996494
"1470684"	141.985997	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H+Na"	23.996494
"1066113"	94.99309	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2H+Na"	25.00377
"1271070"	293.008986	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+CH3OH+H"	33.033486
"387458"	558.914158	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+K"	38.963158
"752829"	818.889658	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+K"	38.963158
"1549412"	298.938658	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+K"	38.963158
"303306"	279.960717	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+H+K"	39.970434
"701200"	409.948467	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+H+K"	39.970434
"1456114"	149.972967	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H+K"	39.970434
"250438"	561.984826	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+ACN+H"	42.033826
"1225045"	302.009326	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+ACN+H"	42.033826
"1206409"	151.508301	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+ACN+2H"	43.041102
"195270"	564.92216	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+2Na-H"	44.97116
"641029"	824.89766	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+2Na-H"	44.97116
"1139429"	304.94666	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2Na-H"	44.97116
"184907"	282.964718	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+2Na"	45.978436
"621186"	412.952468	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+2Na"	45.978436
"1120317"	152.976968	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2Na"	45.978436
"1404935"	102.320404	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H+2Na"	46.985712
"1434865"	306.988246	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H+HCOOH"	47.012746
"221278"	287.99774	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+3H2O+2H"	56.04448
"1508846"	321.04029	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+IsoProp+H"	61.06479
"409023"	290.951688	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+Na+K"	61.952376
"770627"	420.939438	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+Na+K"	61.952376
"1674014"	160.963938	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Na+K"	61.952376
"253973"	583.966768	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+ACN+Na"	64.015768
"1226682"	323.991268	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+ACN+Na"	64.015768
"1715566"	324.014793	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+NH4+HCOOH"	64.039293
"1182015"	109.647718	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+3Na"	68.967654
"1654094"	328.970188	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Na+HCOOH"	68.994688
"167522"	596.87004	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+2K-H"	76.91904
"601616"	856.84554	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+2K-H"	76.91904
"1085761"	336.89454	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2K-H"	76.91904
"148413"	298.938658	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"2M+2K"	77.926316
"584693"	428.926408	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"3M+2K"	77.926316
"1073581"	168.950908	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2K"	77.926316
"1101443"	338.909092	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2K+H"	78.933592
"1338802"	338.996707	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+DMSO+H"	79.021207
"1006722"	343.035876	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2ACN+H"	83.060376
"1527644"	344.029508	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+IsoProp+Na+H"	84.054008
"990282"	172.021576	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+2ACN+2H"	84.067652
"1594064"	344.944128	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+K+HCOOH"	84.968628
"1417538"	374.975638	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+H+CF3COOH"	115.000138
"1152200"	192.534851	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+3ACN+2H"	125.094202
"1709407"	392.002185	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+NH4+CF3COOH"	132.026685
"1641777"	396.95758	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+Na+CF3COOH"	136.98208
"1582900"	412.93152	"C19123"	"Methazole"	"C9H6Cl2N2O3"	"259.9755"	"M+K+CF3COOH"	152.95602
"802331"	240.115	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M"	0
"975492"	221.09661	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-H2O-H"	-19.01839
"63740"	159.069390666667	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M-3H"	-3.021828
"508043"	239.107724	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M-3H"	-3.021828
"884753"	79.0310573333333	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-3H"	-3.021828
"14956"	239.107724	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M-2H"	-2.014552
"455412"	359.165224	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M-2H"	-2.014552
"832492"	119.050224	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-2H"	-2.014552
"93904"	479.222724	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M-H"	-1.007276
"532156"	719.337724	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M-H"	-1.007276
"910818"	239.107724	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-H"	-1.007276
"62272"	496.249271	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M-2H+NH4"	16.019271
"502197"	736.364271	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M-2H+NH4"	16.019271
"877807"	256.134271	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-2H+NH4"	16.019271
"42061"	501.204666	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M-2H+Na"	20.974666
"486246"	741.319666	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M-2H+Na"	20.974666
"858334"	261.089666	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-2H+Na"	20.974666
"1632128"	261.089666	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Na-2H"	20.974666
"109796"	257.096063	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M-H+Cl"	33.962126
"549676"	377.153563	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M-H+Cl"	33.962126
"939661"	137.038563	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-H+Cl"	33.962126
"281261"	515.199402	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+Cl"	34.969402
"673084"	755.314402	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+Cl"	34.969402
"1287307"	275.084402	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Cl"	34.969402
"29259"	517.178606	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M-2H+K"	36.948606
"469912"	757.293606	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M-2H+K"	36.948606
"845887"	277.063606	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-2H+K"	36.948606
"1570105"	277.063606	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+K-2H"	36.948606
"955069"	285.113194	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-H+HCOOH"	44.998194
"374745"	525.228201	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+HCOOH-H"	44.998201
"357167"	539.243851	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+Hac-H"	59.013851
"1499801"	299.128851	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Hac-H"	59.013851
"968436"	307.095151	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-H+NaCOOH"	66.980151
"112240"	275.084402	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+2Cl"	69.938804
"557998"	395.141902	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+2Cl"	69.938804
"1031171"	155.026902	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2Cl"	69.938804
"1248562"	319.033885	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Br"	78.918885
"1312104"	321.089872	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Cl+HCOOH"	80.974872
"1330697"	343.071829	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Cl+NaCOOH"	102.956829
"923946"	353.100586	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M-H+CF3COOH"	112.985586
"1302116"	389.077264	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Cl+CF3COOH"	148.962264
"1379909"	205.102324	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H-2H2O"	-35.012676
"1397405"	223.1123	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H-H2O"	-17.0027
"295633"	481.237276	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+H"	1.007276
"681857"	721.352276	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+H"	1.007276
"1359298"	241.122276	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H"	1.007276
"135470"	241.122276	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+2H"	2.014552
"572842"	361.179776	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+2H"	2.014552
"1042733"	121.064776	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2H"	2.014552
"206260"	161.083942666667	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+3H"	3.021828
"645089"	241.122276	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+3H"	3.021828
"1167228"	81.0456093333333	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+3H"	3.021828
"425275"	498.263823	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+NH4"	18.033823
"790406"	738.378823	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+NH4"	18.033823
"1688929"	258.148823	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+NH4"	18.033823
"340489"	249.6355495	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+H+NH4"	19.041099
"725618"	369.6930495	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+H+NH4"	19.041099
"1487825"	129.5780495	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H+NH4"	19.041099
"404317"	503.219218	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+Na"	22.989218
"765320"	743.334218	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+Na"	22.989218
"1614510"	263.104218	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Na"	22.989218
"328559"	252.113247	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+H+Na"	23.996494
"719165"	372.170747	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+H+Na"	23.996494
"1471889"	132.055747	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H+Na"	23.996494
"1066954"	88.3729233333333	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2H+Na"	25.00377
"1270816"	273.148486	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+CH3OH+H"	33.033486
"390848"	519.193158	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+K"	38.963158
"753670"	759.308158	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+K"	38.963158
"1551709"	279.078158	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+K"	38.963158
"304509"	260.100217	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+H+K"	39.970434
"701310"	380.157717	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+H+K"	39.970434
"1456224"	140.042717	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H+K"	39.970434
"251031"	522.263826	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+ACN+H"	42.033826
"1224344"	282.148826	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+ACN+H"	42.033826
"1203603"	141.578051	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+ACN+2H"	43.041102
"195380"	525.20116	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+2Na-H"	44.97116
"641504"	765.31616	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+2Na-H"	44.97116
"1139539"	285.08616	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2Na-H"	44.97116
"183923"	263.104218	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+2Na"	45.978436
"620203"	383.161718	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+2Na"	45.978436
"1125895"	143.046718	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2Na"	45.978436
"1406140"	95.7002373333333	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H+2Na"	46.985712
"1436068"	287.127746	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H+HCOOH"	47.012746
"222481"	268.13724	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+3H2O+2H"	56.04448
"1511637"	301.17979	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+IsoProp+H"	61.06479
"410593"	271.091188	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+Na+K"	61.952376
"772318"	391.148688	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+Na+K"	61.952376
"1670844"	151.033688	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Na+K"	61.952376
"254082"	544.245768	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+ACN+Na"	64.015768
"1225941"	304.130768	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+ACN+Na"	64.015768
"1713854"	304.154293	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+NH4+HCOOH"	64.039293
"1179939"	103.027551333333	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+3Na"	68.967654
"1652018"	309.109688	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Na+HCOOH"	68.994688
"167632"	557.14904	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+2K-H"	76.91904
"608287"	797.26404	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+2K-H"	76.91904
"1089518"	317.03404	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2K-H"	76.91904
"148523"	279.078158	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"2M+2K"	77.926316
"584803"	399.135658	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"3M+2K"	77.926316
"1073691"	159.020658	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2K"	77.926316
"1100577"	319.048592	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2K+H"	78.933592
"1338912"	319.136207	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+DMSO+H"	79.021207
"1006832"	323.175376	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2ACN+H"	83.060376
"1526660"	324.169008	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+IsoProp+Na+H"	84.054008
"990551"	162.091326	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+2ACN+2H"	84.067652
"1594174"	325.083628	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+K+HCOOH"	84.968628
"1416554"	355.115138	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+H+CF3COOH"	115.000138
"1152310"	182.604601	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+3ACN+2H"	125.094202
"1709517"	372.141685	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+NH4+CF3COOH"	132.026685
"1641887"	377.09708	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+Na+CF3COOH"	136.98208
"1583010"	393.07102	"C19124"	"Methoxyphenone;4-Methoxy-33-dimethylbenzophenone"	"C16H16O2"	"240.115"	"M+K+CF3COOH"	152.95602
"803535"	198.0317	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M"	0
"975604"	179.01331	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-H2O-H"	-19.01839
"65308"	131.013857333333	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M-3H"	-3.021828
"507060"	197.024424	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M-3H"	-3.021828
"881582"	65.0032906666667	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-3H"	-3.021828
"12918"	197.024424	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M-2H"	-2.014552
"454303"	296.040274	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M-2H"	-2.014552
"832116"	98.008574	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-2H"	-2.014552
"93688"	395.056124	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M-H"	-1.007276
"533238"	593.087824	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M-H"	-1.007276
"910441"	197.024424	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-H"	-1.007276
"62627"	412.082671	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M-2H+NH4"	16.019271
"502470"	610.114371	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M-2H+NH4"	16.019271
"877553"	214.050971	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-2H+NH4"	16.019271
"42171"	417.038066	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M-2H+Na"	20.974666
"485017"	615.069766	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M-2H+Na"	20.974666
"858444"	219.006366	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-2H+Na"	20.974666
"1632359"	219.006366	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Na-2H"	20.974666
"109494"	215.012763	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M-H+Cl"	33.962126
"547351"	314.028613	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M-H+Cl"	33.962126
"939771"	115.996913	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-H+Cl"	33.962126
"279423"	431.032802	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+Cl"	34.969402
"674528"	629.064502	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+Cl"	34.969402
"1287542"	233.001102	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Cl"	34.969402
"30821"	433.012006	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M-2H+K"	36.948606
"470752"	631.043706	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M-2H+K"	36.948606
"846726"	234.980306	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-2H+K"	36.948606
"1564380"	234.980306	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+K-2H"	36.948606
"955908"	243.029894	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-H+HCOOH"	44.998194
"375581"	441.061601	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+HCOOH-H"	44.998201
"356546"	455.077251	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+Hac-H"	59.013851
"1496629"	257.045551	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Hac-H"	59.013851
"969639"	265.011851	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-H+NaCOOH"	66.980151
"111986"	233.001102	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+2Cl"	69.938804
"561389"	332.016952	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+2Cl"	69.938804
"1031281"	133.985252	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2Cl"	69.938804
"1248672"	276.950585	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Br"	78.918885
"1313308"	279.006572	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Cl+HCOOH"	80.974872
"1329714"	300.988529	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Cl+NaCOOH"	102.956829
"925878"	311.017286	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M-H+CF3COOH"	112.985586
"1303320"	346.993964	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Cl+CF3COOH"	148.962264
"1381113"	163.019024	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H-2H2O"	-35.012676
"1396785"	181.029	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H-H2O"	-17.0027
"293921"	397.070676	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+H"	1.007276
"683060"	595.102376	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+H"	1.007276
"1362688"	199.038976	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H"	1.007276
"136673"	199.038976	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+2H"	2.014552
"571859"	298.054826	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+2H"	2.014552
"1042843"	100.023126	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2H"	2.014552
"206370"	133.028409333333	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+3H"	3.021828
"646292"	199.038976	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+3H"	3.021828
"1166244"	67.0178426666667	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+3H"	3.021828
"425143"	414.097223	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+NH4"	18.033823
"790516"	612.128923	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+NH4"	18.033823
"1687946"	216.065523	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+NH4"	18.033823
"338413"	207.5522495	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+H+NH4"	19.041099
"727184"	306.5680995	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+H+NH4"	19.041099
"1486842"	108.5363995	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H+NH4"	19.041099
"398961"	419.052618	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+Na"	22.989218
"763243"	617.084318	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+Na"	22.989218
"1612435"	221.020918	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Na"	22.989218
"327212"	210.029947	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+H+Na"	23.996494
"717088"	309.045797	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+H+Na"	23.996494
"1470906"	111.014097	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H+Na"	23.996494
"1061962"	74.3451566666667	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2H+Na"	25.00377
"1269832"	231.065186	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+CH3OH+H"	33.033486
"389868"	435.026558	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+K"	38.963158
"751957"	633.058258	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+K"	38.963158
"1551455"	236.994858	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+K"	38.963158
"304619"	218.016917	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+H+K"	39.970434
"701420"	317.032767	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+H+K"	39.970434
"1460710"	119.001067	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H+K"	39.970434
"249313"	438.097226	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+ACN+H"	42.033826
"1222019"	240.065526	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+ACN+H"	42.033826
"1203713"	120.536401	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+ACN+2H"	43.041102
"194397"	441.03456	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+2Na-H"	44.97116
"640886"	639.06626	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+2Na-H"	44.97116
"1140744"	243.00286	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2Na-H"	44.97116
"179661"	221.020918	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+2Na"	45.978436
"618854"	320.036768	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+2Na"	45.978436
"1120538"	122.005068	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2Na"	45.978436
"1403332"	81.6724706666667	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H+2Na"	46.985712
"1432898"	245.044446	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H+HCOOH"	47.012746
"221862"	226.05394	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+3H2O+2H"	56.04448
"1511746"	259.09649	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+IsoProp+H"	61.06479
"414711"	229.007888	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+Na+K"	61.952376
"772064"	328.023738	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+Na+K"	61.952376
"1673141"	129.992038	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Na+K"	61.952376
"255284"	460.079168	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+ACN+Na"	64.015768
"1226537"	262.047468	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+ACN+Na"	64.015768
"1713599"	262.070993	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+NH4+HCOOH"	64.039293
"1180050"	88.9997846666667	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+3Na"	68.967654
"1651033"	267.026388	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Na+HCOOH"	68.994688
"169929"	472.98244	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+2K-H"	76.91904
"611313"	671.01414	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+2K-H"	76.91904
"1092908"	274.95074	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2K-H"	76.91904
"150820"	236.994858	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"2M+2K"	77.926316
"588193"	336.010708	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"3M+2K"	77.926316
"1075988"	137.979008	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2K"	77.926316
"1102026"	276.965292	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2K+H"	78.933592
"1341209"	277.052907	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+DMSO+H"	79.021207
"1006942"	281.092076	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2ACN+H"	83.060376
"1527864"	282.085708	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+IsoProp+Na+H"	84.054008
"992122"	141.049676	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+2ACN+2H"	84.067652
"1592097"	283.000328	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+K+HCOOH"	84.968628
"1419944"	313.031838	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+H+CF3COOH"	115.000138
"1152420"	161.562951	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+3ACN+2H"	125.094202
"1707441"	330.058385	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+NH4+CF3COOH"	132.026685
"1641997"	335.01378	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+Na+CF3COOH"	136.98208
"1579840"	350.98772	"C19125"	"Naphthalic anhydride;18-Naphthalic anhydride"	"C12H6O3"	"198.0317"	"M+K+CF3COOH"	152.95602
"804737"	336.9698	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M"	0
"974986"	317.95141	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-H2O-H"	-19.01839
"64688"	223.639257333333	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M-3H"	-3.021828
"504975"	335.962524	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M-3H"	-3.021828
"883878"	111.315990666667	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-3H"	-3.021828
"4640"	335.962524	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M-2H"	-2.014552
"454413"	504.447424	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M-2H"	-2.014552
"832600"	167.477624	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-2H"	-2.014552
"94004"	672.932324	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M-H"	-1.007276
"533834"	1009.902124	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M-H"	-1.007276
"910961"	335.962524	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-H"	-1.007276
"62452"	689.958871	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M-2H+NH4"	16.019271
"502502"	1026.928671	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M-2H+NH4"	16.019271
"878027"	352.989071	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-2H+NH4"	16.019271
"41917"	694.914266	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M-2H+Na"	20.974666
"484033"	1031.884066	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M-2H+Na"	20.974666
"858554"	357.944466	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-2H+Na"	20.974666
"1625901"	357.944466	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Na-2H"	20.974666
"109686"	353.950863	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M-H+Cl"	33.962126
"548919"	522.435763	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M-H+Cl"	33.962126
"933318"	185.465963	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-H+Cl"	33.962126
"272970"	708.909002	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+Cl"	34.969402
"675652"	1045.878802	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+Cl"	34.969402
"1288412"	371.939202	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Cl"	34.969402
"31265"	710.888206	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M-2H+K"	36.948606
"470742"	1047.858006	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M-2H+K"	36.948606
"848014"	373.918406	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-2H+K"	36.948606
"1570690"	373.918406	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+K-2H"	36.948606
"955652"	381.967994	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-H+HCOOH"	44.998194
"376783"	718.937801	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+HCOOH-H"	44.998201
"355562"	732.953451	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+Hac-H"	59.013851
"1500019"	395.983651	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Hac-H"	59.013851
"963185"	403.949951	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-H+NaCOOH"	66.980151
"113189"	371.939202	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+2Cl"	69.938804
"561499"	540.424102	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+2Cl"	69.938804
"1031391"	203.454302	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2Cl"	69.938804
"1249875"	415.888685	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Br"	78.918885
"1310135"	417.944672	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Cl+HCOOH"	80.974872
"1332010"	439.926629	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Cl+NaCOOH"	102.956829
"926881"	449.955386	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M-H+CF3COOH"	112.985586
"1304086"	485.932064	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Cl+CF3COOH"	148.962264
"1382196"	301.957124	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H-2H2O"	-35.012676
"1397259"	319.9671	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H-H2O"	-17.0027
"291840"	674.946876	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+H"	1.007276
"683170"	1011.916676	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+H"	1.007276
"1359518"	337.977076	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H"	1.007276
"136783"	337.977076	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+2H"	2.014552
"571969"	506.461976	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+2H"	2.014552
"1045140"	169.492176	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2H"	2.014552
"207573"	225.653809333333	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+3H"	3.021828
"647495"	337.977076	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+3H"	3.021828
"1167447"	113.330542666667	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+3H"	3.021828
"427439"	691.973423	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+NH4"	18.033823
"792812"	1028.943223	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+NH4"	18.033823
"1690242"	355.003623	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+NH4"	18.033823
"341802"	346.4903495	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+H+NH4"	19.041099
"728753"	514.9752495	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+H+NH4"	19.041099
"1486952"	178.0054495	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H+NH4"	19.041099
"403443"	696.928818	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+Na"	22.989218
"763352"	1033.898618	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+Na"	22.989218
"1615461"	359.959018	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Na"	22.989218
"328050"	348.968047	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+H+Na"	23.996494
"720112"	517.452947	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+H+Na"	23.996494
"1474661"	180.483147	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H+Na"	23.996494
"1066810"	120.657856666667	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2H+Na"	25.00377
"1270671"	370.003286	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+CH3OH+H"	33.033486
"391433"	712.902758	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+K"	38.963158
"752429"	1049.872558	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+K"	38.963158
"1552658"	375.932958	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+K"	38.963158
"302543"	356.955017	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+H+K"	39.970434
"703716"	525.439917	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+H+K"	39.970434
"1460903"	188.470117	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H+K"	39.970434
"250152"	715.973426	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+ACN+H"	42.033826
"1221035"	379.003626	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+ACN+H"	42.033826
"1203823"	190.005451	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+ACN+2H"	43.041102
"196693"	718.91076	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+2Na-H"	44.97116
"641363"	1055.88056	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+2Na-H"	44.97116
"1143041"	381.94096	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2Na-H"	44.97116
"181957"	359.959018	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+2Na"	45.978436
"622609"	528.443918	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+2Na"	45.978436
"1128298"	191.474118	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2Na"	45.978436
"1408542"	127.985170666667	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H+2Na"	46.985712
"1435194"	383.982546	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H+HCOOH"	47.012746
"227072"	364.99204	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+3H2O+2H"	56.04448
"1515135"	398.03459	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+IsoProp+H"	61.06479
"414821"	367.945988	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+Na+K"	61.952376
"778005"	536.430888	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+Na+K"	61.952376
"1673251"	199.461088	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Na+K"	61.952376
"256487"	737.955368	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+ACN+Na"	64.015768
"1229199"	400.985568	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+ACN+Na"	64.015768
"1716989"	401.009093	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+NH4+HCOOH"	64.039293
"1181251"	135.312484666667	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+3Na"	68.967654
"1652237"	405.964488	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Na+HCOOH"	68.994688
"161289"	750.85864	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+2K-H"	76.91904
"611059"	1087.82844	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+2K-H"	76.91904
"1089738"	413.88884	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2K-H"	76.91904
"147650"	375.932958	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"2M+2K"	77.926316
"586116"	544.417858	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"3M+2K"	77.926316
"1076098"	207.448058	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2K"	77.926316
"1102742"	415.903392	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2K+H"	78.933592
"1342412"	415.991007	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+DMSO+H"	79.021207
"1006810"	420.030176	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2ACN+H"	83.060376
"1527974"	421.023808	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+IsoProp+Na+H"	84.054008
"991503"	210.518726	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+2ACN+2H"	84.067652
"1592207"	421.938428	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+K+HCOOH"	84.968628
"1420054"	451.969938	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+H+CF3COOH"	115.000138
"1152530"	231.032001	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+3ACN+2H"	125.094202
"1707551"	468.996485	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+NH4+CF3COOH"	132.026685
"1642107"	473.95188	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+Na+CF3COOH"	136.98208
"1579950"	489.92582	"C19126"	"Oxapyrazon"	"C12H8BrN3O4"	"336.9698"	"M+K+CF3COOH"	152.95602
"801661"	136.0017	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M"	0
"974973"	116.98331	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-H2O-H"	-19.01839
"63340"	89.660524	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M-3H"	-3.021828
"506177"	134.994424	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M-3H"	-3.021828
"882886"	44.326624	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-3H"	-3.021828
"2557"	134.994424	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M-2H"	-2.014552
"443209"	202.995274	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M-2H"	-2.014552
"824304"	66.993574	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-2H"	-2.014552
"83202"	270.996124	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M-H"	-1.007276
"529691"	406.997824	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M-H"	-1.007276
"911025"	134.994424	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-H"	-1.007276
"61628"	288.022671	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M-2H+NH4"	16.019271
"499973"	424.024371	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M-2H+NH4"	16.019271
"876315"	152.020971	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-2H+NH4"	16.019271
"41663"	292.978066	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M-2H+Na"	20.974666
"481957"	428.979766	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M-2H+Na"	20.974666
"852103"	156.976366	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-2H+Na"	20.974666
"1626011"	156.976366	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Na-2H"	20.974666
"106919"	152.982763	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M-H+Cl"	33.962126
"548542"	220.983613	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M-H+Cl"	33.962126
"933428"	84.981913	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-H+Cl"	33.962126
"269800"	306.972802	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+Cl"	34.969402
"675470"	442.974502	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+Cl"	34.969402
"1284472"	170.971102	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Cl"	34.969402
"29954"	308.952006	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M-2H+K"	36.948606
"468422"	444.953706	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M-2H+K"	36.948606
"847674"	172.950306	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-2H+K"	36.948606
"1565694"	172.950306	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+K-2H"	36.948606
"950295"	180.999894	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-H+HCOOH"	44.998194
"374706"	317.001601	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+HCOOH-H"	44.998201
"355671"	331.017251	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+Hac-H"	59.013851
"1496847"	195.015551	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Hac-H"	59.013851
"959285"	202.981851	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-H+NaCOOH"	66.980151
"113297"	170.971102	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+2Cl"	69.938804
"555045"	238.971952	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+2Cl"	69.938804
"1026032"	102.970252	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2Cl"	69.938804
"1247797"	214.920585	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Br"	78.918885
"1307327"	216.976572	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Cl+HCOOH"	80.974872
"1326651"	238.958529	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Cl+NaCOOH"	102.956829
"926220"	248.987286	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M-H+CF3COOH"	112.985586
"1303174"	284.963964	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Cl+CF3COOH"	148.962264
"1381331"	100.989024	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H-2H2O"	-35.012676
"1395545"	118.999	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H-H2O"	-17.0027
"291950"	273.010676	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+H"	1.007276
"679998"	409.012376	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+H"	1.007276
"1356346"	137.008976	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H"	1.007276
"134705"	137.008976	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+2H"	2.014552
"573172"	205.009826	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+2H"	2.014552
"1043063"	69.008126	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2H"	2.014552
"205495"	91.675076	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+3H"	3.021828
"645053"	137.008976	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+3H"	3.021828
"1169740"	46.341176	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+3H"	3.021828
"428637"	290.037223	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+NH4"	18.033823
"788545"	426.038923	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+NH4"	18.033823
"1689259"	154.035523	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+NH4"	18.033823
"341912"	145.5222495	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+H+NH4"	19.041099
"725582"	213.5230995	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+H+NH4"	19.041099
"1488154"	77.5213995	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H+NH4"	19.041099
"402460"	294.992618	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+Na"	22.989218
"765284"	430.994318	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+Na"	22.989218
"1615935"	158.990918	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Na"	22.989218
"326703"	147.999947	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+H+Na"	23.996494
"717305"	216.000797	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+H+Na"	23.996494
"1470398"	79.999097	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H+Na"	23.996494
"1064735"	53.66849	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2H+Na"	25.00377
"1270417"	169.035186	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+CH3OH+H"	33.033486
"390450"	310.966558	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+K"	38.963158
"752175"	446.968258	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+K"	38.963158
"1547664"	174.964858	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+K"	38.963158
"302653"	155.986917	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+H+K"	39.970434
"704191"	223.987767	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+H+K"	39.970434
"1460810"	87.986067	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H+K"	39.970434
"249167"	314.037226	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+ACN+H"	42.033826
"1221144"	178.035526	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+ACN+H"	42.033826
"1199559"	89.521401	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+ACN+2H"	43.041102
"193522"	316.97456	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+2Na-H"	44.97116
"640740"	452.97626	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+2Na-H"	44.97116
"1138776"	180.97286	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2Na-H"	44.97116
"182065"	158.990918	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+2Na"	45.978436
"623810"	226.991768	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+2Na"	45.978436
"1122941"	90.990068	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2Na"	45.978436
"1405372"	60.995804	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H+2Na"	46.985712
"1434205"	183.014446	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H+HCOOH"	47.012746
"223900"	164.02394	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+3H2O+2H"	56.04448
"1511230"	197.06649	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+IsoProp+H"	61.06479
"412007"	166.977888	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+Na+K"	61.952376
"773740"	234.978738	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+Na+K"	61.952376
"1668253"	98.977038	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Na+K"	61.952376
"253681"	336.019168	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+ACN+Na"	64.015768
"1230402"	200.017468	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+ACN+Na"	64.015768
"1713819"	200.040993	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+NH4+HCOOH"	64.039293
"1179295"	68.323118	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+3Na"	68.967654
"1649980"	204.996388	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Na+HCOOH"	68.994688
"161763"	348.92244	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+2K-H"	76.91904
"607523"	484.92414	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+2K-H"	76.91904
"1089848"	212.92074	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2K-H"	76.91904
"143750"	174.964858	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"2M+2K"	77.926316
"586226"	242.965708	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"3M+2K"	77.926316
"1076208"	106.964008	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2K"	77.926316
"1102853"	214.935292	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2K+H"	78.933592
"1336323"	215.022907	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+DMSO+H"	79.021207
"1006673"	219.062076	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2ACN+H"	83.060376
"1528084"	220.055708	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+IsoProp+Na+H"	84.054008
"992342"	110.034676	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+2ACN+2H"	84.067652
"1592317"	220.970328	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+K+HCOOH"	84.968628
"1422351"	251.001838	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+H+CF3COOH"	115.000138
"1152640"	130.547951	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+3ACN+2H"	125.094202
"1707661"	268.028385	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+NH4+CF3COOH"	132.026685
"1642217"	272.98378	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+Na+CF3COOH"	136.98208
"1580060"	288.95772	"C19127"	"Proxan"	"C4H8OS2"	"136.0017"	"M+K+CF3COOH"	152.95602
"802041"	188.0433	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M"	0
"976056"	169.02491	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-H2O-H"	-19.01839
"66001"	124.354924	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M-3H"	-3.021828
"505560"	187.036024	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M-3H"	-3.021828
"883000"	61.673824	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-3H"	-3.021828
"3763"	187.036024	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M-2H"	-2.014552
"442226"	281.057674	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M-2H"	-2.014552
"824414"	93.014374	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-2H"	-2.014552
"82219"	375.079324	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M-H"	-1.007276
"531987"	563.122624	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M-H"	-1.007276
"910897"	187.036024	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-H"	-1.007276
"62469"	392.105871	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M-2H+NH4"	16.019271
"500450"	580.149171	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M-2H+NH4"	16.019271
"875331"	204.062571	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-2H+NH4"	16.019271
"43230"	397.061266	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M-2H+Na"	20.974666
"483160"	585.104566	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M-2H+Na"	20.974666
"852941"	209.017966	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-2H+Na"	20.974666
"1626121"	209.017966	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Na-2H"	20.974666
"105572"	205.024363	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M-H+Cl"	33.962126
"548896"	299.046013	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M-H+Cl"	33.962126
"934631"	111.002713	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-H+Cl"	33.962126
"272094"	411.056002	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+Cl"	34.969402
"675101"	599.099302	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+Cl"	34.969402
"1287255"	223.012702	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Cl"	34.969402
"28604"	413.035206	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M-2H+K"	36.948606
"468889"	601.078506	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M-2H+K"	36.948606
"843410"	224.991906	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-2H+K"	36.948606
"1567990"	224.991906	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+K-2H"	36.948606
"950405"	233.041494	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-H+HCOOH"	44.998194
"367525"	421.084801	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+HCOOH-H"	44.998201
"353594"	435.100451	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+Hac-H"	59.013851
"1494404"	247.057151	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Hac-H"	59.013851
"960851"	255.023451	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-H+NaCOOH"	66.980151
"113042"	223.012702	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+2Cl"	69.938804
"551505"	317.034352	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+2Cl"	69.938804
"1027235"	128.991052	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2Cl"	69.938804
"1245720"	266.962185	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Br"	78.918885
"1305978"	269.018172	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Cl+HCOOH"	80.974872
"1327854"	291.000129	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Cl+NaCOOH"	102.956829
"926694"	301.028886	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M-H+CF3COOH"	112.985586
"1302555"	337.005564	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Cl+CF3COOH"	148.962264
"1381687"	153.030624	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H-2H2O"	-35.012676
"1395534"	171.0406	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H-H2O"	-17.0027
"292060"	377.093876	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+H"	1.007276
"679015"	565.137176	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+H"	1.007276
"1353173"	189.050576	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H"	1.007276
"133723"	189.050576	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+2H"	2.014552
"574374"	283.072226	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+2H"	2.014552
"1042079"	95.028926	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2H"	2.014552
"206698"	126.369476	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+3H"	3.021828
"646256"	189.050576	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+3H"	3.021828
"1170943"	63.688376	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+3H"	3.021828
"428747"	394.120423	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+NH4"	18.033823
"789383"	582.163723	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+NH4"	18.033823
"1689369"	206.077123	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+NH4"	18.033823
"339835"	197.5638495	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+H+NH4"	19.041099
"726056"	291.5854995	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+H+NH4"	19.041099
"1486077"	103.5421995	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H+NH4"	19.041099
"401477"	399.075818	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+Na"	22.989218
"763565"	587.119118	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+Na"	22.989218
"1615677"	211.032518	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Na"	22.989218
"326077"	200.041547	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+H+Na"	23.996494
"720688"	294.063197	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+H+Na"	23.996494
"1470133"	106.019897	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H+Na"	23.996494
"1066661"	71.01569	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2H+Na"	25.00377
"1268337"	221.076786	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+CH3OH+H"	33.033486
"390924"	415.049758	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+K"	38.963158
"747909"	603.093058	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+K"	38.963158
"1543399"	227.006458	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+K"	38.963158
"302763"	208.028517	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+H+K"	39.970434
"703936"	302.050167	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+H+K"	39.970434
"1460557"	114.006867	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H+K"	39.970434
"250007"	418.120426	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+ACN+H"	42.033826
"1220890"	230.077126	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+ACN+H"	42.033826
"1200762"	115.542201	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+ACN+2H"	43.041102
"192539"	421.05776	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+2Na-H"	44.97116
"640850"	609.10106	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+2Na-H"	44.97116
"1137793"	233.01446	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2Na-H"	44.97116
"181082"	211.032518	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+2Na"	45.978436
"621734"	305.054168	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+2Na"	45.978436
"1124144"	117.010868	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2Na"	45.978436
"1408761"	78.343004	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H+2Na"	46.985712
"1436502"	235.056046	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H+HCOOH"	47.012746
"225104"	216.06554	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+3H2O+2H"	56.04448
"1510979"	249.10809	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+IsoProp+H"	61.06479
"409325"	219.019488	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+Na+K"	61.952376
"774943"	313.041138	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+Na+K"	61.952376
"1669092"	124.997838	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Na+K"	61.952376
"255613"	440.102368	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+ACN+Na"	64.015768
"1229418"	252.059068	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+ACN+Na"	64.015768
"1715386"	252.082593	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+NH4+HCOOH"	64.039293
"1181471"	85.670318	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+3Na"	68.967654
"1650875"	257.037988	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Na+HCOOH"	68.994688
"163695"	453.00564	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+2K-H"	76.91904
"607269"	641.04894	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+2K-H"	76.91904
"1092144"	264.96234	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2K-H"	76.91904
"147869"	227.006458	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"2M+2K"	77.926316
"588522"	321.028108	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"3M+2K"	77.926316
"1071945"	132.984808	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2K"	77.926316
"1102962"	266.976892	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2K+H"	78.933592
"1339349"	267.064507	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+DMSO+H"	79.021207
"1007876"	271.103676	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2ACN+H"	83.060376
"1529287"	272.097308	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+IsoProp+Na+H"	84.054008
"993545"	136.055476	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+2ACN+2H"	84.067652
"1590241"	273.011928	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+K+HCOOH"	84.968628
"1420270"	303.043438	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+H+CF3COOH"	115.000138
"1152750"	156.568751	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+3ACN+2H"	125.094202
"1704488"	320.069985	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+NH4+CF3COOH"	132.026685
"1634790"	325.02538	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+Na+CF3COOH"	136.98208
"1580170"	340.99932	"C19128"	"Pydanon;Hexahydro-4-hydroxy-36-dioxopyridazine-4-acetic acid"	"C6H8N2O5"	"188.0433"	"M+K+CF3COOH"	152.95602
"810537"	277.2042	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M"	0
"980789"	258.18581	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-H2O-H"	-19.01839
"65019"	183.795524	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M-3H"	-3.021828
"506036"	276.196924	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M-3H"	-3.021828
"885302"	91.394124	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-3H"	-3.021828
"6063"	276.196924	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M-2H"	-2.014552
"443437"	414.799024	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M-2H"	-2.014552
"824524"	137.594824	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-2H"	-2.014552
"83422"	553.401124	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M-H"	-1.007276
"530638"	830.605324	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M-H"	-1.007276
"910027"	276.196924	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-H"	-1.007276
"61238"	570.427671	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M-2H+NH4"	16.019271
"501895"	847.631871	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M-2H+NH4"	16.019271
"878725"	293.223471	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-2H+NH4"	16.019271
"46383"	575.383066	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M-2H+Na"	20.974666
"484363"	852.587266	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M-2H+Na"	20.974666
"852687"	298.178866	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-2H+Na"	20.974666
"1626231"	298.178866	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Na-2H"	20.974666
"106042"	294.185263	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M-H+Cl"	33.962126
"543414"	432.787363	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M-H+Cl"	33.962126
"931825"	155.583163	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-H+Cl"	33.962126
"272206"	589.377802	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+Cl"	34.969402
"674965"	866.582002	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+Cl"	34.969402
"1286515"	312.173602	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Cl"	34.969402
"28714"	591.357006	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M-2H+K"	36.948606
"469728"	868.561206	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M-2H+K"	36.948606
"847287"	314.152806	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-2H+K"	36.948606
"1568100"	314.152806	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+K-2H"	36.948606
"950515"	322.202394	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-H+HCOOH"	44.998194
"365448"	599.406601	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+HCOOH-H"	44.998201
"349331"	613.422251	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+Hac-H"	59.013851
"1494881"	336.218051	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Hac-H"	59.013851
"962421"	344.184351	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-H+NaCOOH"	66.980151
"111692"	312.173602	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+2Cl"	69.938804
"552343"	450.775702	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+2Cl"	69.938804
"1027346"	173.571502	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2Cl"	69.938804
"1244006"	356.123085	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Br"	78.918885
"1308277"	358.179072	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Cl+HCOOH"	80.974872
"1324684"	380.161029	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Cl+NaCOOH"	102.956829
"925711"	390.189786	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M-H+CF3COOH"	112.985586
"1302663"	426.166464	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Cl+CF3COOH"	148.962264
"1380457"	242.191524	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H-2H2O"	-35.012676
"1395765"	260.2015	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H-H2O"	-17.0027
"291076"	555.415676	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+H"	1.007276
"681312"	832.619876	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+H"	1.007276
"1352919"	278.211476	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H"	1.007276
"134925"	278.211476	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+2H"	2.014552
"574484"	416.813576	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+2H"	2.014552
"1041095"	139.609376	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2H"	2.014552
"207901"	185.810076	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+3H"	3.021828
"648555"	278.211476	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+3H"	3.021828
"1169960"	93.408676	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+3H"	3.021828
"432138"	572.442223	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+NH4"	18.033823
"785841"	849.646423	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+NH4"	18.033823
"1687288"	295.238023	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+NH4"	18.033823
"339945"	286.7247495	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+H+NH4"	19.041099
"726895"	425.3268495	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+H+NH4"	19.041099
"1486187"	148.1226495	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H+NH4"	19.041099
"399400"	577.397618	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+Na"	22.989218
"761489"	854.601818	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+Na"	22.989218
"1613965"	300.193418	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Na"	22.989218
"326187"	289.202447	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+H+Na"	23.996494
"721164"	427.804547	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+H+Na"	23.996494
"1468057"	150.600347	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H+Na"	23.996494
"1066410"	100.73599	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2H+Na"	25.00377
"1268447"	310.237686	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+CH3OH+H"	33.033486
"389577"	593.371558	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+K"	38.963158
"750206"	870.575758	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+K"	38.963158
"1543509"	316.167358	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+K"	38.963158
"301780"	297.189417	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+H+K"	39.970434
"704046"	435.791517	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+H+K"	39.970434
"1460302"	158.587317	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H+K"	39.970434
"249388"	596.442226	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+ACN+H"	42.033826
"1221365"	319.238026	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+ACN+H"	42.033826
"1207438"	160.122651	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+ACN+2H"	43.041102
"194837"	599.37956	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+2Na-H"	44.97116
"638774"	876.58376	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+2Na-H"	44.97116
"1138997"	322.17536	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2Na-H"	44.97116
"181192"	300.193418	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+2Na"	45.978436
"619294"	438.795518	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+2Na"	45.978436
"1123162"	161.591318	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2Na"	45.978436
"1410694"	108.063304	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H+2Na"	46.985712
"1438800"	324.216946	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H+HCOOH"	47.012746
"227403"	305.22644	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+3H2O+2H"	56.04448
"1511454"	338.26899	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+IsoProp+H"	61.06479
"414059"	308.180388	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+Na+K"	61.952376
"775058"	446.782488	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+Na+K"	61.952376
"1671392"	169.578288	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Na+K"	61.952376
"257910"	618.424168	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+ACN+Na"	64.015768
"1229163"	341.219968	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+ACN+Na"	64.015768
"1716225"	341.243493	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+NH4+HCOOH"	64.039293
"1184863"	115.390618	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+3Na"	68.967654
"1655849"	346.198888	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Na+HCOOH"	68.994688
"162711"	631.32744	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+2K-H"	76.91904
"606650"	908.53164	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+2K-H"	76.91904
"1091161"	354.12324	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2K-H"	76.91904
"145794"	316.167358	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"2M+2K"	77.926316
"587539"	454.769458	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"3M+2K"	77.926316
"1072057"	177.565258	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2K"	77.926316
"1104173"	356.137792	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2K+H"	78.933592
"1339460"	356.225407	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+DMSO+H"	79.021207
"1010176"	360.264576	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2ACN+H"	83.060376
"1526482"	361.258208	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+IsoProp+Na+H"	84.054008
"992566"	180.635926	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+2ACN+2H"	84.067652
"1592537"	362.172828	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+K+HCOOH"	84.968628
"1417104"	392.204338	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+H+CF3COOH"	115.000138
"1151037"	201.149201	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+3ACN+2H"	125.094202
"1710067"	409.230885	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+NH4+CF3COOH"	132.026685
"1642437"	414.18628	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+Na+CF3COOH"	136.98208
"1583560"	430.16022	"C19129"	"Terbucarb"	"C17H27NO2"	"277.2042"	"M+K+CF3COOH"	152.95602
"810646"	317.894	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M"	0
"980899"	298.87561	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-H2O-H"	-19.01839
"65132"	210.922057333333	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M-3H"	-3.021828
"505422"	316.886724	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M-3H"	-3.021828
"888692"	104.957390666667	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-3H"	-3.021828
"6173"	316.886724	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M-2H"	-2.014552
"441358"	475.833724	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M-2H"	-2.014552
"821348"	157.939724	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-2H"	-2.014552
"83532"	634.780724	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M-H"	-1.007276
"521997"	952.674724	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M-H"	-1.007276
"910865"	316.886724	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-H"	-1.007276
"61836"	651.807271	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M-2H+NH4"	16.019271
"502539"	969.701271	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M-2H+NH4"	16.019271
"879775"	333.913271	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-2H+NH4"	16.019271
"46905"	656.762666	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M-2H+Na"	20.974666
"484473"	974.656666	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M-2H+Na"	20.974666
"853890"	338.868666	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-2H+Na"	20.974666
"1626341"	338.868666	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Na-2H"	20.974666
"107975"	334.875063	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M-H+Cl"	33.962126
"543524"	493.822063	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M-H+Cl"	33.962126
"934852"	175.928063	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-H+Cl"	33.962126
"275598"	670.757402	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+Cl"	34.969402
"674471"	988.651402	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+Cl"	34.969402
"1286988"	352.863402	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Cl"	34.969402
"29551"	672.736606	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M-2H+K"	36.948606
"468017"	990.630606	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M-2H+K"	36.948606
"847275"	354.842606	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-2H+K"	36.948606
"1568210"	354.842606	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+K-2H"	36.948606
"951718"	362.892194	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-H+HCOOH"	44.998194
"373213"	680.786201	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+HCOOH-H"	44.998201
"359282"	694.801851	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+Hac-H"	59.013851
"1503740"	376.907851	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Hac-H"	59.013851
"964720"	384.874151	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-H+NaCOOH"	66.980151
"116909"	352.863402	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+2Cl"	69.938804
"552096"	511.810402	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+2Cl"	69.938804
"1022713"	193.916402	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2Cl"	69.938804
"1245939"	396.812885	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Br"	78.918885
"1307292"	398.868872	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Cl+HCOOH"	80.974872
"1325887"	420.850829	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Cl+NaCOOH"	102.956829
"925578"	430.879586	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M-H+CF3COOH"	112.985586
"1302413"	466.856264	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Cl+CF3COOH"	148.962264
"1379476"	282.881324	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H-2H2O"	-35.012676
"1394782"	300.8913	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H-H2O"	-17.0027
"292281"	636.795276	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+H"	1.007276
"683607"	954.689276	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+H"	1.007276
"1356674"	318.901276	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H"	1.007276
"132847"	318.901276	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+2H"	2.014552
"574593"	477.848276	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+2H"	2.014552
"1040111"	159.954276	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2H"	2.014552
"208011"	212.936609333333	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+3H"	3.021828
"646843"	318.901276	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+3H"	3.021828
"1166791"	106.971942666667	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+3H"	3.021828
"430062"	653.821823	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+NH4"	18.033823
"785953"	971.715823	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+NH4"	18.033823
"1691776"	335.927823	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+NH4"	18.033823
"340058"	327.4145495	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+H+NH4"	19.041099
"730289"	486.3615495	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+H+NH4"	19.041099
"1486300"	168.4675495	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H+NH4"	19.041099
"399514"	658.777218	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+Na"	22.989218
"763787"	976.671218	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+Na"	22.989218
"1609697"	340.883218	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Na"	22.989218
"324113"	329.892247	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+H+Na"	23.996494
"713251"	488.839247	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+H+Na"	23.996494
"1465976"	170.945247	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H+Na"	23.996494
"1060316"	114.299256666667	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2H+Na"	25.00377
"1259807"	350.927486	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+CH3OH+H"	33.033486
"380565"	674.751158	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+K"	38.963158
"748127"	992.645158	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+K"	38.963158
"1546901"	356.857158	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+K"	38.963158
"304077"	337.879217	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+H+K"	39.970434
"704885"	496.826217	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+H+K"	39.970434
"1460044"	178.932217	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H+K"	39.970434
"250229"	677.821826	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+ACN+H"	42.033826
"1225127"	359.927826	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+ACN+H"	42.033826
"1208282"	180.467551	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+ACN+2H"	43.041102
"203460"	680.75916	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+2Na-H"	44.97116
"643019"	998.65316	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+2Na-H"	44.97116
"1136922"	362.86516	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2Na-H"	44.97116
"178753"	340.883218	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+2Na"	45.978436
"624146"	499.830218	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+2Na"	45.978436
"1125464"	181.936218	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2Na"	45.978436
"1407894"	121.626570666667	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H+2Na"	46.985712
"1437821"	364.906746	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H+HCOOH"	47.012746
"224603"	345.91624	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+3H2O+2H"	56.04448
"1516671"	378.95879	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+IsoProp+H"	61.06479
"414171"	348.870188	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+Na+K"	61.952376
"772982"	507.817188	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+Na+K"	61.952376
"1672595"	189.923188	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Na+K"	61.952376
"255834"	699.803768	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+ACN+Na"	64.015768
"1231825"	381.909768	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+ACN+Na"	64.015768
"1717431"	381.933293	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+NH4+HCOOH"	64.039293
"1191535"	128.953884666667	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+3Na"	68.967654
"1662521"	386.888688	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Na+HCOOH"	68.994688
"169388"	712.70704	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+2K-H"	76.91904
"607493"	1030.60104	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+2K-H"	76.91904
"1091274"	394.81304	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2K-H"	76.91904
"149185"	356.857158	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"2M+2K"	77.926316
"589835"	515.804158	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"3M+2K"	77.926316
"1076542"	197.910158	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2K"	77.926316
"1103554"	396.827592	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2K+H"	78.933592
"1346136"	396.915207	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+DMSO+H"	79.021207
"1013569"	400.954376	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2ACN+H"	83.060376
"1532792"	401.948008	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+IsoProp+Na+H"	84.054008
"994865"	200.980826	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+2ACN+2H"	84.067652
"1594836"	402.862628	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+K+HCOOH"	84.968628
"1419401"	432.894138	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+H+CF3COOH"	115.000138
"1151146"	221.494101	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+3ACN+2H"	125.094202
"1709084"	449.920685	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+NH4+CF3COOH"	132.026685
"1641454"	454.87608	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+Na+CF3COOH"	136.98208
"1583670"	470.85002	"C19130"	"Tridiphane"	"C10H7Cl5O"	"317.894"	"M+K+CF3COOH"	152.95602
"802008"	316.1109	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M"	0
"975903"	297.09251	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-H2O-H"	-19.01839
"64878"	209.733324	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M-3H"	-3.021828
"505532"	315.103624	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M-3H"	-3.021828
"885521"	104.363024	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-3H"	-3.021828
"203"	315.103624	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M-2H"	-2.014552
"449125"	473.159074	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M-2H"	-2.014552
"822552"	157.048174	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-2H"	-2.014552
"83642"	631.214524	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M-H"	-1.007276
"522106"	947.325424	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M-H"	-1.007276
"910606"	315.103624	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-H"	-1.007276
"61336"	648.241071	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M-2H+NH4"	16.019271
"502684"	964.351971	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M-2H+NH4"	16.019271
"878335"	332.130171	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-2H+NH4"	16.019271
"46850"	653.196466	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M-2H+Na"	20.974666
"484583"	969.307366	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M-2H+Na"	20.974666
"852543"	337.085566	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-2H+Na"	20.974666
"1626451"	337.085566	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Na-2H"	20.974666
"100794"	333.091963	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M-H+Cl"	33.962126
"540351"	491.147413	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M-H+Cl"	33.962126
"934962"	175.036513	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-H+Cl"	33.962126
"274615"	667.191202	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+Cl"	34.969402
"675349"	983.302102	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+Cl"	34.969402
"1283818"	351.080302	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Cl"	34.969402
"29661"	669.170406	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M-2H+K"	36.948606
"468856"	985.281306	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M-2H+K"	36.948606
"847385"	353.059506	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-2H+K"	36.948606
"1568320"	353.059506	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+K-2H"	36.948606
"950735"	361.109094	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-H+HCOOH"	44.998194
"373323"	677.220001	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+HCOOH-H"	44.998201
"359392"	691.235651	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+Hac-H"	59.013851
"1503850"	375.124751	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Hac-H"	59.013851
"967017"	383.091051	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-H+NaCOOH"	66.980151
"118112"	351.080302	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+2Cl"	69.938804
"552205"	509.135752	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+2Cl"	69.938804
"1022461"	193.024852	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2Cl"	69.938804
"1244226"	395.029785	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Br"	78.918885
"1307403"	397.085772	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Cl+HCOOH"	80.974872
"1327090"	419.067729	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Cl+NaCOOH"	102.956829
"925443"	429.096486	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M-H+CF3COOH"	112.985586
"1300335"	465.073164	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Cl+CF3COOH"	148.962264
"1379586"	281.098224	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H-2H2O"	-35.012676
"1394892"	299.1082	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H-H2O"	-17.0027
"292391"	633.229076	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+H"	1.007276
"685904"	949.339976	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+H"	1.007276
"1358971"	317.118176	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H"	1.007276
"134051"	317.118176	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+2H"	2.014552
"573610"	475.173626	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+2H"	2.014552
"1041315"	159.062726	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2H"	2.014552
"211402"	211.747876	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+3H"	3.021828
"650963"	317.118176	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+3H"	3.021828
"1172367"	106.377576	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+3H"	3.021828
"432359"	650.255623	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+NH4"	18.033823
"790074"	966.366523	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+NH4"	18.033823
"1685310"	334.144723	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+NH4"	18.033823
"335790"	325.6314495	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+H+NH4"	19.041099
"729664"	483.6868995	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+H+NH4"	19.041099
"1482035"	167.5759995	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H+NH4"	19.041099
"399623"	655.211018	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+Na"	22.989218
"760618"	971.321918	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+Na"	22.989218
"1607621"	339.100118	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Na"	22.989218
"322036"	328.109147	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+H+Na"	23.996494
"710081"	486.164597	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+H+Na"	23.996494
"1466086"	170.053697	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H+Na"	23.996494
"1057146"	113.70489	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2H+Na"	25.00377
"1258824"	349.144386	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+CH3OH+H"	33.033486
"378489"	671.184958	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+K"	38.963158
"741677"	987.295858	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+K"	38.963158
"1547011"	355.074058	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+K"	38.963158
"303093"	336.096117	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+H+K"	39.970434
"704631"	494.151567	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+H+K"	39.970434
"1459911"	178.040667	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H+K"	39.970434
"248878"	674.255626	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+ACN+H"	42.033826
"1222680"	358.144726	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+ACN+H"	42.033826
"1209485"	179.576001	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+ACN+2H"	43.041102
"202473"	677.19296	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+2Na-H"	44.97116
"641182"	993.30386	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+2Na-H"	44.97116
"1141405"	361.08206	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2Na-H"	44.97116
"180322"	339.100118	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+2Na"	45.978436
"620976"	497.155568	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+2Na"	45.978436
"1127761"	181.044668	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2Na"	45.978436
"1409098"	121.032204	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H+2Na"	46.985712
"1437931"	363.123646	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H+HCOOH"	47.012746
"224348"	344.13314	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+3H2O+2H"	56.04448
"1513501"	377.17569	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+IsoProp+H"	61.06479
"413188"	347.087088	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+Na+K"	61.952376
"771632"	505.142538	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+Na+K"	61.952376
"1670519"	189.031638	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Na+K"	61.952376
"253028"	696.237568	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+ACN+Na"	64.015768
"1229749"	380.126668	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+ACN+Na"	64.015768
"1716448"	380.150193	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+NH4+HCOOH"	64.039293
"1191645"	128.359518	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+3Na"	68.967654
"1656069"	385.105588	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Na+HCOOH"	68.994688
"168040"	709.14084	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+2K-H"	76.91904
"607601"	1025.25174	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+2K-H"	76.91904
"1094664"	393.02994	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2K-H"	76.91904
"146014"	355.074058	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"2M+2K"	77.926316
"588851"	513.129508	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"3M+2K"	77.926316
"1077745"	197.018608	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2K"	77.926316
"1103300"	395.044492	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2K+H"	78.933592
"1345153"	395.132107	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+DMSO+H"	79.021207
"1014772"	399.171276	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2ACN+H"	83.060376
"1532901"	400.164908	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+IsoProp+Na+H"	84.054008
"994975"	200.089276	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+2ACN+2H"	84.067652
"1594945"	401.079528	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+K+HCOOH"	84.968628
"1422791"	431.111038	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+H+CF3COOH"	115.000138
"1149798"	220.602551	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+3ACN+2H"	125.094202
"1709194"	448.137585	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+NH4+CF3COOH"	132.026685
"1639376"	453.09298	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+Na+CF3COOH"	136.98208
"1583780"	469.06692	"C19131"	"Etacelasil;Alsol"	"C11H25ClO6Si"	"316.1109"	"M+K+CF3COOH"	152.95602
"804305"	262.996	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M"	0
"974631"	243.97761	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-H2O-H"	-19.01839
"67174"	174.323390666667	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M-3H"	-3.021828
"505642"	261.988724	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M-3H"	-3.021828
"885631"	86.6580573333333	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-3H"	-3.021828
"1045"	261.988724	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M-2H"	-2.014552
"450328"	393.486724	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M-2H"	-2.014552
"824850"	130.490724	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-2H"	-2.014552
"85938"	524.984724	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M-H"	-1.007276
"523309"	787.980724	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M-H"	-1.007276
"908285"	261.988724	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-H"	-1.007276
"60716"	542.011271	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M-2H+NH4"	16.019271
"501128"	805.007271	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M-2H+NH4"	16.019271
"876135"	279.015271	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-2H+NH4"	16.019271
"45982"	546.966666	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M-2H+Na"	20.974666
"482507"	809.962666	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M-2H+Na"	20.974666
"853017"	283.970666	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-2H+Na"	20.974666
"1626561"	283.970666	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Na-2H"	20.974666
"101997"	279.977063	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M-H+Cl"	33.962126
"537910"	411.475063	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M-H+Cl"	33.962126
"938352"	148.479063	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-H+Cl"	33.962126
"275818"	560.961402	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+Cl"	34.969402
"675296"	823.957402	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+Cl"	34.969402
"1286114"	297.965402	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Cl"	34.969402
"27583"	562.940606	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M-2H+K"	36.948606
"468237"	825.936606	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M-2H+K"	36.948606
"847132"	299.944606	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-2H+K"	36.948606
"1569888"	299.944606	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+K-2H"	36.948606
"955217"	307.994194	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-H+HCOOH"	44.998194
"369059"	570.990201	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+HCOOH-H"	44.998201
"356222"	585.005851	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+Hac-H"	59.013851
"1503960"	322.009851	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Hac-H"	59.013851
"967127"	329.976151	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-H+NaCOOH"	66.980151
"120408"	297.965402	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+2Cl"	69.938804
"552315"	429.463402	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+2Cl"	69.938804
"1024394"	166.467402	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2Cl"	69.938804
"1245066"	341.914885	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Br"	78.918885
"1312981"	343.970872	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Cl+HCOOH"	80.974872
"1325014"	365.952829	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Cl+NaCOOH"	102.956829
"925552"	375.981586	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M-H+CF3COOH"	112.985586
"1302268"	411.958264	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Cl+CF3COOH"	148.962264
"1378603"	227.983324	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H-2H2O"	-35.012676
"1396826"	245.9933	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H-H2O"	-17.0027
"287034"	526.999276	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+H"	1.007276
"686014"	789.995276	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+H"	1.007276
"1359081"	264.003276	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H"	1.007276
"134160"	264.003276	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+2H"	2.014552
"574813"	395.501276	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+2H"	2.014552
"1043612"	132.505276	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2H"	2.014552
"211511"	176.337942666667	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+3H"	3.021828
"651072"	264.003276	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+3H"	3.021828
"1170290"	88.6726093333333	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+3H"	3.021828
"433562"	544.025823	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+NH4"	18.033823
"791277"	807.021823	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+NH4"	18.033823
"1685421"	281.029823	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+NH4"	18.033823
"334807"	272.5165495	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+H+NH4"	19.041099
"730506"	404.0145495	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+H+NH4"	19.041099
"1482147"	141.0185495	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H+NH4"	19.041099
"397548"	548.981218	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+Na"	22.989218
"758542"	811.977218	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+Na"	22.989218
"1609917"	285.985218	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Na"	22.989218
"322147"	274.994247	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+H+Na"	23.996494
"713472"	406.492247	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+H+Na"	23.996494
"1468384"	143.496247	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H+Na"	23.996494
"1061631"	95.9999233333333	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2H+Na"	25.00377
"1264402"	296.029486	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+CH3OH+H"	33.033486
"380787"	564.955158	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+K"	38.963158
"741787"	827.951158	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+K"	38.963158
"1543841"	301.959158	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+K"	38.963158
"299558"	282.981217	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+H+K"	39.970434
"702919"	414.479217	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+H+K"	39.970434
"1460629"	151.483217	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H+K"	39.970434
"250447"	568.025826	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+ACN+H"	42.033826
"1222426"	305.029826	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+ACN+H"	42.033826
"1209230"	153.018551	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+ACN+2H"	43.041102
"202341"	570.96316	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+2Na-H"	44.97116
"642143"	833.95916	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+2Na-H"	44.97116
"1141515"	307.96716	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2Na-H"	44.97116
"179339"	285.985218	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+2Na"	45.978436
"621086"	417.483218	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+2Na"	45.978436
"1124591"	154.487218	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2Na"	45.978436
"1412490"	103.327237333333	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H+2Na"	46.985712
"1439135"	310.008746	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H+HCOOH"	47.012746
"226644"	291.01824	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+3H2O+2H"	56.04448
"1515798"	324.06079	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+IsoProp+H"	61.06479
"412205"	293.972188	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+Na+K"	61.952376
"773198"	425.470188	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+Na+K"	61.952376
"1672815"	162.474188	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Na+K"	61.952376
"253868"	590.007768	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+ACN+Na"	64.015768
"1232045"	327.011768	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+ACN+Na"	64.015768
"1717651"	327.035293	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+NH4+HCOOH"	64.039293
"1191027"	110.654551333333	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+3Na"	68.967654
"1659459"	331.990688	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Na+HCOOH"	68.994688
"167056"	602.91104	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+2K-H"	76.91904
"606253"	865.90704	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+2K-H"	76.91904
"1091494"	339.91504	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2K-H"	76.91904
"147218"	301.959158	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"2M+2K"	77.926316
"588963"	433.457158	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"3M+2K"	77.926316
"1075668"	170.461158	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2K"	77.926316
"1104503"	341.929592	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2K+H"	78.933592
"1347086"	342.017207	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+DMSO+H"	79.021207
"1013789"	346.056376	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2ACN+H"	83.060376
"1530821"	347.050008	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+IsoProp+Na+H"	84.054008
"993992"	173.531826	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+2ACN+2H"	84.067652
"1593959"	347.964628	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+K+HCOOH"	84.968628
"1422899"	377.996138	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+H+CF3COOH"	115.000138
"1150273"	194.045101	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+3ACN+2H"	125.094202
"1710397"	395.022685	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+NH4+CF3COOH"	132.026685
"1641673"	399.97808	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+Na+CF3COOH"	136.98208
"1583890"	415.95202	"C19132"	"Glyphosine"	"C4H11NO8P2"	"262.996"	"M+K+CF3COOH"	152.95602
"802349"	266.2848	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M"	0
"974663"	247.26641	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-H2O-H"	-19.01839
"67284"	176.515924	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M-3H"	-3.021828
"507941"	265.277524	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M-3H"	-3.021828
"889023"	87.754324	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-3H"	-3.021828
"3222"	265.277524	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M-2H"	-2.014552
"453719"	398.419924	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M-2H"	-2.014552
"828241"	132.135124	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-2H"	-2.014552
"87141"	531.562324	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M-H"	-1.007276
"523419"	797.847124	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M-H"	-1.007276
"906694"	265.277524	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-H"	-1.007276
"59975"	548.588871	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M-2H+NH4"	16.019271
"500509"	814.873671	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M-2H+NH4"	16.019271
"876245"	282.304071	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-2H+NH4"	16.019271
"46215"	553.544266	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M-2H+Na"	20.974666
"483346"	819.829066	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M-2H+Na"	20.974666
"853127"	287.259466	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-2H+Na"	20.974666
"1626671"	287.259466	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Na-2H"	20.974666
"101014"	283.265863	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M-H+Cl"	33.962126
"536926"	416.408263	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M-H+Cl"	33.962126
"938462"	150.123463	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-H+Cl"	33.962126
"272646"	567.539002	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+Cl"	34.969402
"670540"	833.823802	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+Cl"	34.969402
"1282944"	301.254202	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Cl"	34.969402
"26600"	569.518206	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M-2H+K"	36.948606
"469072"	835.803006	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M-2H+K"	36.948606
"847240"	303.233406	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-2H+K"	36.948606
"1564166"	303.233406	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+K-2H"	36.948606
"955326"	311.282994	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-H+HCOOH"	44.998194
"368074"	577.567801	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+HCOOH-H"	44.998201
"349771"	591.583451	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+Hac-H"	59.013851
"1500790"	325.298651	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Hac-H"	59.013851
"963957"	333.264951	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-H+NaCOOH"	66.980151
"117238"	301.254202	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+2Cl"	69.938804
"552425"	434.396602	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+2Cl"	69.938804
"1024504"	168.111802	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2Cl"	69.938804
"1244083"	345.203685	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Br"	78.918885
"1313091"	347.259672	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Cl+HCOOH"	80.974872
"1326217"	369.241629	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Cl+NaCOOH"	102.956829
"922747"	379.270386	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M-H+CF3COOH"	112.985586
"1297267"	415.247064	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Cl+CF3COOH"	148.962264
"1376526"	231.272124	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H-2H2O"	-35.012676
"1394019"	249.2821	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H-H2O"	-17.0027
"286050"	533.576876	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+H"	1.007276
"682844"	799.861676	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+H"	1.007276
"1359191"	267.292076	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H"	1.007276
"134269"	267.292076	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+2H"	2.014552
"573829"	400.434476	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+2H"	2.014552
"1041533"	134.149676	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2H"	2.014552
"209434"	178.530476	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+3H"	3.021828
"654463"	267.292076	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+3H"	3.021828
"1169307"	89.768876	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+3H"	3.021828
"434767"	550.603423	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+NH4"	18.033823
"789201"	816.888223	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+NH4"	18.033823
"1687718"	284.318623	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+NH4"	18.033823
"336010"	275.8053495	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+H+NH4"	19.041099
"731709"	408.9477495	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+H+NH4"	19.041099
"1482257"	142.6629495	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H+NH4"	19.041099
"397658"	555.558818	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+Na"	22.989218
"760838"	821.843618	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+Na"	22.989218
"1611120"	289.274018	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Na"	22.989218
"322257"	278.283047	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+H+Na"	23.996494
"713582"	411.425447	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+H+Na"	23.996494
"1469587"	145.140647	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H+Na"	23.996494
"1062834"	97.09619	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2H+Na"	25.00377
"1265605"	299.318286	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+CH3OH+H"	33.033486
"381990"	571.532758	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+K"	38.963158
"741165"	837.817558	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+K"	38.963158
"1541034"	305.247958	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+K"	38.963158
"298761"	286.270017	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+H+K"	39.970434
"703393"	419.412417	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+H+K"	39.970434
"1459039"	153.127617	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H+K"	39.970434
"250071"	574.603426	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+ACN+H"	42.033826
"1218525"	308.318626	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+ACN+H"	42.033826
"1208733"	154.662951	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+ACN+2H"	43.041102
"201840"	577.54076	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+2Na-H"	44.97116
"643226"	843.82556	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+2Na-H"	44.97116
"1141261"	311.25596	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2Na-H"	44.97116
"178716"	289.274018	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+2Na"	45.978436
"621195"	422.416418	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+2Na"	45.978436
"1120691"	156.131618	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2Na"	45.978436
"1403850"	104.423504	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H+2Na"	46.985712
"1435962"	313.297546	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H+HCOOH"	47.012746
"225658"	294.30704	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+3H2O+2H"	56.04448
"1513721"	327.34959	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+IsoProp+H"	61.06479
"413406"	297.260988	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+Na+K"	61.952376
"773309"	430.403388	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+Na+K"	61.952376
"1675113"	164.118588	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Na+K"	61.952376
"255072"	596.585368	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+ACN+Na"	64.015768
"1229968"	330.300568	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+ACN+Na"	64.015768
"1717761"	330.324093	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+NH4+HCOOH"	64.039293
"1192230"	111.750818	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+3Na"	68.967654
"1661761"	335.279488	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Na+HCOOH"	68.994688
"167528"	609.48864	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+2K-H"	76.91904
"605999"	875.77344	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+2K-H"	76.91904
"1089781"	343.20384	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2K-H"	76.91904
"146235"	305.247958	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"2M+2K"	77.926316
"586887"	438.390358	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"3M+2K"	77.926316
"1079058"	172.105558	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2K"	77.926316
"1110083"	345.218392	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2K+H"	78.933592
"1346466"	345.306007	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+DMSO+H"	79.021207
"1011714"	349.345176	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2ACN+H"	83.060376
"1529839"	350.338808	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+IsoProp+Na+H"	84.054008
"994100"	175.176226	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+2ACN+2H"	84.067652
"1592977"	351.253428	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+K+HCOOH"	84.968628
"1421917"	381.284938	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+H+CF3COOH"	115.000138
"1152205"	195.689501	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+3ACN+2H"	125.094202
"1709414"	398.311485	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+NH4+CF3COOH"	132.026685
"1640690"	403.26688	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+Na+CF3COOH"	136.98208
"1584000"	419.24082	"C19133"	"Piproctanyl"	"C18H36N"	"266.2848"	"M+K+CF3COOH"	152.95602
"811087"	205.1467	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M"	0
"982432"	186.12831	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-H2O-H"	-19.01839
"66301"	135.757190666667	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M-3H"	-3.021828
"517164"	204.139424	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M-3H"	-3.021828
"892413"	67.3749573333333	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-3H"	-3.021828
"3332"	204.139424	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M-2H"	-2.014552
"453465"	306.712774	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M-2H"	-2.014552
"830662"	101.566074	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-2H"	-2.014552
"85066"	409.286124	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M-H"	-1.007276
"533133"	614.432824	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M-H"	-1.007276
"909724"	204.139424	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-H"	-1.007276
"61183"	426.312671	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M-2H+NH4"	16.019271
"501835"	631.459371	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M-2H+NH4"	16.019271
"879399"	221.165971	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-2H+NH4"	16.019271
"46084"	431.268066	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M-2H+Na"	20.974666
"483820"	636.414766	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M-2H+Na"	20.974666
"856153"	226.121366	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-2H+Na"	20.974666
"1624958"	226.121366	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Na-2H"	20.974666
"102217"	222.127763	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M-H+Cl"	33.962126
"539953"	324.701113	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M-H+Cl"	33.962126
"939665"	119.554413	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-H+Cl"	33.962126
"277131"	445.262802	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+Cl"	34.969402
"669557"	650.409502	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+Cl"	34.969402
"1284147"	240.116102	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Cl"	34.969402
"28168"	447.242006	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M-2H+K"	36.948606
"468819"	652.388706	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M-2H+K"	36.948606
"846621"	242.095306	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-2H+K"	36.948606
"1564276"	242.095306	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+K-2H"	36.948606
"955073"	250.144894	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-H+HCOOH"	44.998194
"368184"	455.291601	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+HCOOH-H"	44.998201
"353161"	469.307251	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+Hac-H"	59.013851
"1504180"	264.160551	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Hac-H"	59.013851
"966254"	272.126851	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-H+NaCOOH"	66.980151
"119535"	240.116102	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+2Cl"	69.938804
"551442"	342.689452	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+2Cl"	69.938804
"1024614"	137.542752	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2Cl"	69.938804
"1245286"	284.065585	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Br"	78.918885
"1313201"	286.121572	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Cl+HCOOH"	80.974872
"1327420"	308.103529	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Cl+NaCOOH"	102.956829
"922857"	318.132286	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M-H+CF3COOH"	112.985586
"1297377"	354.108964	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Cl+CF3COOH"	148.962264
"1376636"	170.134024	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H-2H2O"	-35.012676
"1395222"	188.144	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H-H2O"	-17.0027
"287254"	411.300676	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+H"	1.007276
"682954"	616.447376	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+H"	1.007276
"1357115"	206.153976	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H"	1.007276
"132193"	206.153976	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+2H"	2.014552
"571753"	308.727326	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+2H"	2.014552
"1040186"	103.580626	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2H"	2.014552
"211733"	137.771742666667	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+3H"	3.021828
"648375"	206.153976	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+3H"	3.021828
"1168323"	69.3895093333333	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+3H"	3.021828
"429410"	428.327223	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+NH4"	18.033823
"786152"	633.473923	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+NH4"	18.033823
"1681631"	223.180523	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+NH4"	18.033823
"335755"	214.6672495	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+H+NH4"	19.041099
"729996"	317.2405995	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+H+NH4"	19.041099
"1484553"	112.0938995	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H+NH4"	19.041099
"398861"	433.282618	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+Na"	22.989218
"762041"	638.429318	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+Na"	22.989218
"1611230"	228.135918	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Na"	22.989218
"322367"	217.144947	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+H+Na"	23.996494
"714785"	319.718297	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+H+Na"	23.996494
"1470790"	114.571597	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H+Na"	23.996494
"1062944"	76.7168233333333	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2H+Na"	25.00377
"1267902"	238.180186	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+CH3OH+H"	33.033486
"386476"	449.256558	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+K"	38.963158
"745288"	654.403258	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+K"	38.963158
"1542603"	244.109858	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+K"	38.963158
"301966"	225.131917	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+H+K"	39.970434
"704969"	327.705267	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+H+K"	39.970434
"1459153"	122.558567	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H+K"	39.970434
"250307"	452.327226	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+ACN+H"	42.033826
"1224474"	247.180526	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+ACN+H"	42.033826
"1206899"	124.093901	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+ACN+2H"	43.041102
"203174"	455.26456	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+2Na-H"	44.97116
"643465"	660.41126	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+2Na-H"	44.97116
"1140643"	250.11786	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2Na-H"	44.97116
"183934"	228.135918	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+2Na"	45.978436
"618390"	330.709268	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+2Na"	45.978436
"1124812"	125.562568	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2Na"	45.978436
"1401046"	84.0441373333333	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H+2Na"	46.985712
"1436076"	252.159446	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H+HCOOH"	47.012746
"222854"	233.16894	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+3H2O+2H"	56.04448
"1513833"	266.21149	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+IsoProp+H"	61.06479
"413515"	236.122888	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+Na+K"	61.952376
"772446"	338.696238	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+Na+K"	61.952376
"1677413"	133.549538	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Na+K"	61.952376
"258464"	474.309168	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+ACN+Na"	64.015768
"1236643"	269.162468	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+ACN+Na"	64.015768
"1724434"	269.185993	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+NH4+HCOOH"	64.039293
"1191974"	91.3714513333333	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+3Na"	68.967654
"1662235"	274.141388	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Na+HCOOH"	68.994688
"169099"	487.21244	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+2K-H"	76.91904
"605017"	692.35914	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+2K-H"	76.91904
"1088436"	282.06574	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2K-H"	76.91904
"147443"	244.109858	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"2M+2K"	77.926316
"588093"	346.683208	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"3M+2K"	77.926316
"1079168"	141.536508	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2K"	77.926316
"1112746"	284.080292	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2K+H"	78.933592
"1348764"	284.167907	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+DMSO+H"	79.021207
"1017294"	288.207076	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2ACN+H"	83.060376
"1533231"	289.200708	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+IsoProp+Na+H"	84.054008
"1001869"	144.607176	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+2ACN+2H"	84.067652
"1600380"	290.115328	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+K+HCOOH"	84.968628
"1420935"	320.146838	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+H+CF3COOH"	115.000138
"1151222"	165.120451	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+3ACN+2H"	125.094202
"1711712"	337.173385	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+NH4+CF3COOH"	132.026685
"1641894"	342.12878	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+Na+CF3COOH"	136.98208
"1584110"	358.10272	"C19134"	"Heptopargil"	"C13H19NO"	"205.1467"	"M+K+CF3COOH"	152.95602
"807916"	263.1998	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M"	0
"974757"	244.18141	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-H2O-H"	-19.01839
"65318"	174.459257333333	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M-3H"	-3.021828
"517274"	262.192524	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M-3H"	-3.021828
"892523"	86.7259906666666	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-3H"	-3.021828
"10004"	262.192524	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M-2H"	-2.014552
"453575"	393.792424	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M-2H"	-2.014552
"831992"	130.592624	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-2H"	-2.014552
"90642"	525.392324	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M-H"	-1.007276
"533245"	788.592124	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M-H"	-1.007276
"908738"	262.192524	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-H"	-1.007276
"59106"	542.418871	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M-2H+NH4"	16.019271
"500608"	805.618671	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M-2H+NH4"	16.019271
"879629"	279.219071	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-2H+NH4"	16.019271
"46312"	547.374266	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M-2H+Na"	20.974666
"480650"	810.574066	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M-2H+Na"	20.974666
"856263"	284.174466	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-2H+Na"	20.974666
"1624704"	284.174466	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Na-2H"	20.974666
"102327"	280.180863	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M-H+Cl"	33.962126
"539699"	411.780763	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M-H+Cl"	33.962126
"931391"	148.580963	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-H+Cl"	33.962126
"279431"	561.369002	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+Cl"	34.969402
"668573"	824.568802	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+Cl"	34.969402
"1287173"	298.169202	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Cl"	34.969402
"30829"	563.348206	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M-2H+K"	36.948606
"469658"	826.548006	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M-2H+K"	36.948606
"847095"	300.148406	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-2H+K"	36.948606
"1566573"	300.148406	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+K-2H"	36.948606
"952267"	308.197994	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-H+HCOOH"	44.998194
"369386"	571.397801	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+HCOOH-H"	44.998201
"351084"	585.413451	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+Hac-H"	59.013851
"1498822"	322.213651	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Hac-H"	59.013851
"961990"	330.179951	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-H+NaCOOH"	66.980151
"118552"	298.169202	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+2Cl"	69.938804
"553739"	429.769102	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+2Cl"	69.938804
"1024724"	166.569302	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2Cl"	69.938804
"1248677"	342.118685	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Br"	78.918885
"1313311"	344.174672	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Cl+HCOOH"	80.974872
"1324250"	366.156629	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Cl+NaCOOH"	102.956829
"924789"	376.185386	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M-H+CF3COOH"	112.985586
"1296394"	412.162064	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Cl+CF3COOH"	148.962264
"1377839"	228.187124	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H-2H2O"	-35.012676
"1392052"	246.1971	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H-H2O"	-17.0027
"286270"	527.406876	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+H"	1.007276
"680877"	790.606676	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+H"	1.007276
"1353945"	264.207076	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H"	1.007276
"130117"	264.207076	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+2H"	2.014552
"570040"	395.806976	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+2H"	2.014552
"1038473"	132.607176	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2H"	2.014552
"208928"	176.473809333333	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+3H"	3.021828
"648122"	264.207076	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+3H"	3.021828
"1168434"	88.7405426666667	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+3H"	3.021828
"429885"	544.433423	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+NH4"	18.033823
"786627"	807.633223	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+NH4"	18.033823
"1683323"	281.233623	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+NH4"	18.033823
"330750"	272.7203495	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+H+NH4"	19.041099
"725005"	404.3202495	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+H+NH4"	19.041099
"1485754"	141.1204495	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H+NH4"	19.041099
"400064"	549.388818	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+Na"	22.989218
"762151"	812.588618	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+Na"	22.989218
"1608061"	286.189018	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Na"	22.989218
"323569"	275.198047	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+H+Na"	23.996494
"713802"	406.797947	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+H+Na"	23.996494
"1467621"	143.598147	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H+Na"	23.996494
"1057588"	96.0678566666667	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2H+Na"	25.00377
"1264730"	296.233286	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+CH3OH+H"	33.033486
"386586"	565.362758	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+K"	38.963158
"743212"	828.562558	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+K"	38.963158
"1543077"	302.162958	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+K"	38.963158
"302076"	283.185017	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+H+K"	39.970434
"705077"	414.784917	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+H+K"	39.970434
"1458533"	151.585117	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H+K"	39.970434
"250906"	568.433426	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+ACN+H"	42.033826
"1224460"	305.233626	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+ACN+H"	42.033826
"1208832"	153.120451	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+ACN+2H"	43.041102
"202796"	571.37076	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+2Na-H"	44.97116
"643862"	834.57056	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+2Na-H"	44.97116
"1140753"	308.17096	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2Na-H"	44.97116
"184044"	286.189018	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+2Na"	45.978436
"617407"	417.788918	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+2Na"	45.978436
"1121642"	154.589118	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2Na"	45.978436
"1401156"	103.395170666667	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H+2Na"	46.985712
"1435093"	310.212546	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H+HCOOH"	47.012746
"224786"	291.22204	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+3H2O+2H"	56.04448
"1512849"	324.26459	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+IsoProp+H"	61.06479
"410709"	294.175988	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+Na+K"	61.952376
"773528"	425.775888	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+Na+K"	61.952376
"1674244"	162.576088	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Na+K"	61.952376
"258574"	590.415368	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+ACN+Na"	64.015768
"1235660"	327.215568	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+ACN+Na"	64.015768
"1726367"	327.239093	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+NH4+HCOOH"	64.039293
"1190990"	110.722484666667	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+3Na"	68.967654
"1660885"	332.194488	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Na+HCOOH"	68.994688
"167746"	603.31864	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+2K-H"	76.91904
"607306"	866.51844	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+2K-H"	76.91904
"1091818"	340.11884	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2K-H"	76.91904
"146448"	302.162958	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"2M+2K"	77.926316
"589291"	433.762858	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"3M+2K"	77.926316
"1070643"	170.563058	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2K"	77.926316
"1103733"	342.133392	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2K+H"	78.933592
"1342308"	342.221007	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+DMSO+H"	79.021207
"1013024"	346.260176	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2ACN+H"	83.060376
"1532247"	347.253808	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+IsoProp+Na+H"	84.054008
"995415"	173.633726	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+2ACN+2H"	84.067652
"1595383"	348.168428	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+K+HCOOH"	84.968628
"1419952"	378.199938	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+H+CF3COOH"	115.000138
"1150239"	194.147001	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+3ACN+2H"	125.094202
"1700154"	395.226485	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+NH4+CF3COOH"	132.026685
"1642004"	400.18188	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+Na+CF3COOH"	136.98208
"1584220"	416.15582	"C19135"	"Triapenthenol"	"C15H25N3O"	"263.1998"	"M+K+CF3COOH"	152.95602
"808026"	202.0565	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M"	0
"975966"	183.03811	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-H2O-H"	-19.01839
"66520"	133.697057333333	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M-3H"	-3.021828
"517748"	201.049224	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M-3H"	-3.021828
"889353"	66.3448906666667	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-3H"	-3.021828
"11207"	201.049224	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M-2H"	-2.014552
"455439"	302.077474	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M-2H"	-2.014552
"832393"	100.020974	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-2H"	-2.014552
"92576"	403.105724	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M-H"	-1.007276
"528126"	605.162224	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M-H"	-1.007276
"909819"	201.049224	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-H"	-1.007276
"62008"	420.132271	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M-2H+NH4"	16.019271
"501327"	622.188771	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M-2H+NH4"	16.019271
"879618"	218.075771	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-2H+NH4"	16.019271
"44477"	425.087666	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M-2H+Na"	20.974666
"484040"	627.144166	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M-2H+Na"	20.974666
"856373"	223.031166	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-2H+Na"	20.974666
"1624814"	223.031166	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Na-2H"	20.974666
"102437"	219.037563	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M-H+Cl"	33.962126
"537986"	320.065813	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M-H+Cl"	33.962126
"930772"	118.009313	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-H+Cl"	33.962126
"281726"	439.082402	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+Cl"	34.969402
"668683"	641.138902	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+Cl"	34.969402
"1287283"	237.025902	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Cl"	34.969402
"29723"	441.061606	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M-2H+K"	36.948606
"469768"	643.118106	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M-2H+K"	36.948606
"841009"	239.005106	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-2H+K"	36.948606
"1562309"	239.005106	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+K-2H"	36.948606
"952376"	247.054694	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-H+HCOOH"	44.998194
"369496"	449.111201	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+HCOOH-H"	44.998201
"350100"	463.126851	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+Hac-H"	59.013851
"1498932"	261.070351	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Hac-H"	59.013851
"964286"	269.036651	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-H+NaCOOH"	66.980151
"117569"	237.025902	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+2Cl"	69.938804
"557129"	338.054152	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+2Cl"	69.938804
"1024834"	135.997652	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2Cl"	69.938804
"1249880"	280.975385	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Br"	78.918885
"1313421"	283.031372	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Cl+HCOOH"	80.974872
"1330921"	305.013329	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Cl+NaCOOH"	102.956829
"927052"	315.042086	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M-H+CF3COOH"	112.985586
"1299784"	351.018764	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Cl+CF3COOH"	148.962264
"1377947"	167.043824	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H-2H2O"	-35.012676
"1393255"	185.0538	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H-H2O"	-17.0027
"288567"	405.120276	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+H"	1.007276
"685361"	607.176776	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+H"	1.007276
"1359522"	203.063776	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H"	1.007276
"133507"	203.063776	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+2H"	2.014552
"573066"	304.092026	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+2H"	2.014552
"1045144"	102.035526	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2H"	2.014552
"210860"	135.711609333333	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+3H"	3.021828
"653701"	203.063776	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+3H"	3.021828
"1170732"	68.3594426666667	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+3H"	3.021828
"435099"	422.146823	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+NH4"	18.033823
"792813"	624.203323	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+NH4"	18.033823
"1689145"	220.090323	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+NH4"	18.033823
"336329"	211.5770495	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+H+NH4"	19.041099
"728030"	312.6052995	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+H+NH4"	19.041099
"1485864"	110.5487995	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H+NH4"	19.041099
"401267"	427.102218	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+Na"	22.989218
"764447"	629.158718	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+Na"	22.989218
"1610357"	225.045718	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Na"	22.989218
"325865"	214.054747	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+H+Na"	23.996494
"717192"	315.082997	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+H+Na"	23.996494
"1472104"	113.026497	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H+Na"	23.996494
"1058791"	75.6867566666667	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2H+Na"	25.00377
"1267756"	235.089986	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+CH3OH+H"	33.033486
"386696"	443.076158	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+K"	38.963158
"748785"	645.132658	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+K"	38.963158
"1546466"	241.019658	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+K"	38.963158
"304372"	222.041717	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+H+K"	39.970434
"704821"	323.069967	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+H+K"	39.970434
"1457550"	121.013467	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H+K"	39.970434
"251256"	446.146826	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+ACN+H"	42.033826
"1225178"	244.090326	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+ACN+H"	42.033826
"1208208"	122.548801	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+ACN+2H"	43.041102
"203514"	449.08416	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+2Na-H"	44.97116
"644214"	651.14066	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+2Na-H"	44.97116
"1141957"	247.02766	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2Na-H"	44.97116
"184154"	225.045718	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+2Na"	45.978436
"618610"	326.073968	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+2Na"	45.978436
"1122116"	124.017468	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2Na"	45.978436
"1404546"	83.0140706666667	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H+2Na"	46.985712
"1437391"	249.069246	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H+HCOOH"	47.012746
"228178"	230.07874	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+3H2O+2H"	56.04448
"1514051"	263.12129	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+IsoProp+H"	61.06479
"412277"	233.032688	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+Na+K"	61.952376
"771453"	334.060938	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+Na+K"	61.952376
"1675448"	132.004438	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Na+K"	61.952376
"261964"	468.128768	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+ACN+Na"	64.015768
"1234677"	266.072268	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+ACN+Na"	64.015768
"1723561"	266.095793	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+NH4+HCOOH"	64.039293
"1187820"	90.3413846666667	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+3Na"	68.967654
"1662088"	271.051188	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Na+HCOOH"	68.994688
"170042"	481.03204	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+2K-H"	76.91904
"605962"	683.08854	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+2K-H"	76.91904
"1091929"	278.97554	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2K-H"	76.91904
"144372"	241.019658	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"2M+2K"	77.926316
"583932"	342.047908	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"3M+2K"	77.926316
"1071726"	139.991408	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2K"	77.926316
"1104936"	280.990092	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2K+H"	78.933592
"1345697"	281.077707	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+DMSO+H"	79.021207
"1015322"	285.116876	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2ACN+H"	83.060376
"1534546"	286.110508	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+IsoProp+Na+H"	84.054008
"997713"	143.062076	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+2ACN+2H"	84.067652
"1592216"	287.025128	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+K+HCOOH"	84.968628
"1420062"	317.056638	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+H+CF3COOH"	115.000138
"1151442"	163.575351	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+3ACN+2H"	125.094202
"1702088"	334.083185	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+NH4+CF3COOH"	132.026685
"1642114"	339.03858	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+Na+CF3COOH"	136.98208
"1584330"	355.01252	"C19136"	"ANTU;alpha-Naphthylthiourea"	"C11H10N2S"	"202.0565"	"M+K+CF3COOH"	152.95602
"811416"	194.0408	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M"	0
"974233"	175.02241	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-H2O-H"	-19.01839
"63714"	128.353257333333	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M-3H"	-3.021828
"516036"	193.033524	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M-3H"	-3.021828
"889463"	63.6729906666667	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-3H"	-3.021828
"10224"	193.033524	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M-2H"	-2.014552
"454770"	290.053924	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M-2H"	-2.014552
"826497"	96.013124	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-2H"	-2.014552
"89769"	387.074324	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M-H"	-1.007276
"527142"	581.115124	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M-H"	-1.007276
"908227"	193.033524	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-H"	-1.007276
"60416"	404.100871	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M-2H+NH4"	16.019271
"500951"	598.141671	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M-2H+NH4"	16.019271
"876688"	210.060071	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-2H+NH4"	16.019271
"43494"	409.056266	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M-2H+Na"	20.974666
"484151"	603.097066	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M-2H+Na"	20.974666
"856483"	215.015466	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-2H+Na"	20.974666
"1622372"	215.015466	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Na-2H"	20.974666
"96715"	211.021863	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M-H+Cl"	33.962126
"537003"	308.042263	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M-H+Cl"	33.962126
"927844"	114.001463	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-H+Cl"	33.962126
"281836"	423.051002	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+Cl"	34.969402
"668793"	617.091802	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+Cl"	34.969402
"1285571"	229.010202	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Cl"	34.969402
"28497"	425.030206	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M-2H+K"	36.948606
"467691"	619.071006	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M-2H+K"	36.948606
"841119"	230.989406	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-2H+K"	36.948606
"1562419"	230.989406	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+K-2H"	36.948606
"952486"	239.038994	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-H+HCOOH"	44.998194
"369606"	433.079801	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+HCOOH-H"	44.998201
"350210"	447.095451	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+Hac-H"	59.013851
"1499042"	253.054651	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Hac-H"	59.013851
"964396"	261.020951	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-H+NaCOOH"	66.980151
"119866"	229.010202	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+2Cl"	69.938804
"557239"	326.030602	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+2Cl"	69.938804
"1027131"	131.989802	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2Cl"	69.938804
"1251084"	272.959685	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Br"	78.918885
"1313531"	275.015672	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Cl+HCOOH"	80.974872
"1329938"	296.997629	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Cl+NaCOOH"	102.956829
"925373"	307.026386	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M-H+CF3COOH"	112.985586
"1299894"	343.003064	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Cl+CF3COOH"	148.962264
"1372590"	159.028124	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H-2H2O"	-35.012676
"1386805"	177.0381	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H-H2O"	-17.0027
"285398"	389.088876	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+H"	1.007276
"683285"	583.129676	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+H"	1.007276
"1354165"	195.048076	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H"	1.007276
"131431"	195.048076	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+2H"	2.014552
"572082"	292.068476	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+2H"	2.014552
"1044161"	98.027676	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2H"	2.014552
"208783"	130.367809333333	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+3H"	3.021828
"650530"	195.048076	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+3H"	3.021828
"1170841"	65.6875426666667	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+3H"	3.021828
"430834"	406.115423	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+NH4"	18.033823
"791831"	600.156223	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+NH4"	18.033823
"1687068"	212.074623	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+NH4"	18.033823
"333887"	203.5613495	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+H+NH4"	19.041099
"727776"	300.5817495	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+H+NH4"	19.041099
"1485974"	106.5409495	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H+NH4"	19.041099
"399191"	411.070818	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+Na"	22.989218
"763464"	605.111618	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+Na"	22.989218
"1610467"	217.030018	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Na"	22.989218
"320510"	206.039047	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+H+Na"	23.996494
"716209"	303.059447	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+H+Na"	23.996494
"1472214"	109.018647	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H+Na"	23.996494
"1063271"	73.0148566666667	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2H+Na"	25.00377
"1267137"	227.074286	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+CH3OH+H"	33.033486
"382431"	427.044758	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+K"	38.963158
"746708"	621.085558	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+K"	38.963158
"1545483"	233.003958	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+K"	38.963158
"301567"	214.026017	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+H+K"	39.970434
"704932"	311.046417	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+H+K"	39.970434
"1460455"	117.005617	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H+K"	39.970434
"251003"	430.115426	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+ACN+H"	42.033826
"1224436"	236.074626	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+ACN+H"	42.033826
"1208319"	118.540951	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+ACN+2H"	43.041102
"203625"	433.05276	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+2Na-H"	44.97116
"644233"	627.09356	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+2Na-H"	44.97116
"1142795"	239.01196	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2Na-H"	44.97116
"180983"	217.030018	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+2Na"	45.978436
"618720"	314.050418	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+2Na"	45.978436
"1121862"	120.009618	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2Na"	45.978436
"1405385"	80.3421706666667	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H+2Na"	46.985712
"1438594"	241.053546	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H+HCOOH"	47.012746
"228288"	222.06304	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+3H2O+2H"	56.04448
"1511976"	255.10559	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+IsoProp+H"	61.06479
"411660"	225.016988	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+Na+K"	61.952376
"774845"	322.037388	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+Na+K"	61.952376
"1676650"	127.996588	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Na+K"	61.952376
"254419"	452.097368	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+ACN+Na"	64.015768
"1232597"	258.056568	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+ACN+Na"	64.015768
"1721482"	258.080093	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+NH4+HCOOH"	64.039293
"1185743"	87.6694846666667	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+3Na"	68.967654
"1658917"	263.035488	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Na+HCOOH"	68.994688
"165778"	465.00064	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+2K-H"	76.91904
"604247"	659.04144	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+2K-H"	76.91904
"1088759"	270.95984	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2K-H"	76.91904
"143510"	233.003958	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"2M+2K"	77.926316
"582219"	330.024358	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"3M+2K"	77.926316
"1068915"	135.983558	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2K"	77.926316
"1102860"	272.974392	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2K+H"	78.933592
"1344714"	273.062007	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+DMSO+H"	79.021207
"1014339"	277.101176	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2ACN+H"	83.060376
"1531375"	278.094808	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+IsoProp+Na+H"	84.054008
"997823"	139.054226	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+2ACN+2H"	84.067652
"1592325"	279.009428	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+K+HCOOH"	84.968628
"1421265"	309.040938	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+H+CF3COOH"	115.000138
"1154832"	159.567501	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+3ACN+2H"	125.094202
"1702198"	326.067485	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+NH4+CF3COOH"	132.026685
"1642224"	331.02288	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+Na+CF3COOH"	136.98208
"1584440"	346.99682	"C19137"	"Bisthiosemi"	"C3H10N6S2"	"194.0408"	"M+K+CF3COOH"	152.95602
"802049"	171.0563	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M"	0
"974484"	152.03791	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-H2O-H"	-19.01839
"63824"	113.030257333333	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M-3H"	-3.021828
"517604"	170.049024	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M-3H"	-3.021828
"889573"	56.0114906666667	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-3H"	-3.021828
"10334"	170.049024	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M-2H"	-2.014552
"454884"	255.577174	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M-2H"	-2.014552
"827700"	84.520874	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-2H"	-2.014552
"91944"	341.105324	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M-H"	-1.007276
"526159"	512.161624	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M-H"	-1.007276
"906150"	170.049024	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-H"	-1.007276
"60163"	358.131871	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M-2H+NH4"	16.019271
"497902"	529.188171	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M-2H+NH4"	16.019271
"875705"	187.075571	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-2H+NH4"	16.019271
"45429"	363.087266	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M-2H+Na"	20.974666
"483164"	534.143566	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M-2H+Na"	20.974666
"853313"	192.030966	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-2H+Na"	20.974666
"1627220"	192.030966	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Na-2H"	20.974666
"96461"	188.037363	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M-H+Cl"	33.962126
"535774"	273.565513	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M-H+Cl"	33.962126
"928076"	102.509213	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-H+Cl"	33.962126
"278666"	377.082002	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+Cl"	34.969402
"665623"	548.138302	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+Cl"	34.969402
"1282400"	206.025702	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Cl"	34.969402
"27876"	379.061206	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M-2H+K"	36.948606
"468894"	550.117506	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M-2H+K"	36.948606
"841229"	208.004906	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-2H+K"	36.948606
"1563622"	208.004906	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+K-2H"	36.948606
"952596"	216.054494	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-H+HCOOH"	44.998194
"366436"	387.110801	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+HCOOH-H"	44.998201
"350320"	401.126451	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+Hac-H"	59.013851
"1499152"	230.070151	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Hac-H"	59.013851
"964506"	238.036451	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-H+NaCOOH"	66.980151
"116696"	206.025702	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+2Cl"	69.938804
"557349"	291.553852	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+2Cl"	69.938804
"1028334"	120.497552	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2Cl"	69.938804
"1250100"	249.975185	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Br"	78.918885
"1315828"	252.031172	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Cl+HCOOH"	80.974872
"1326768"	274.013129	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Cl+NaCOOH"	102.956829
"924390"	284.041886	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M-H+CF3COOH"	112.985586
"1300004"	320.018564	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Cl+CF3COOH"	148.962264
"1375979"	136.043624	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H-2H2O"	-35.012676
"1384727"	154.0536	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H-H2O"	-17.0027
"287693"	343.119876	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+H"	1.007276
"677197"	514.176176	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+H"	1.007276
"1355368"	172.063576	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H"	1.007276
"128261"	172.063576	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+2H"	2.014552
"570006"	257.591726	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+2H"	2.014552
"1042085"	86.535426	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2H"	2.014552
"209986"	115.044809333333	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+3H"	3.021828
"649547"	172.063576	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+3H"	3.021828
"1167673"	58.0260426666667	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+3H"	3.021828
"432039"	360.146423	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+NH4"	18.033823
"794129"	531.202723	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+NH4"	18.033823
"1688272"	189.090123	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+NH4"	18.033823
"335458"	180.5768495	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+H+NH4"	19.041099
"728979"	266.1049995	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+H+NH4"	19.041099
"1481710"	95.0486995	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H+NH4"	19.041099
"401485"	365.101818	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+Na"	22.989218
"762480"	536.158118	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+Na"	22.989218
"1609483"	194.045518	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Na"	22.989218
"323899"	183.054547	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+H+Na"	23.996494
"716318"	268.582697	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+H+Na"	23.996494
"1470137"	97.526397	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H+Na"	23.996494
"1062288"	65.3533566666667	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2H+Na"	25.00377
"1261780"	204.089786	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+CH3OH+H"	33.033486
"380354"	381.075758	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+K"	38.963158
"743538"	552.132058	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+K"	38.963158
"1547780"	210.019458	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+K"	38.963158
"302770"	191.041517	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+H+K"	39.970434
"705771"	276.569667	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+H+K"	39.970434
"1460201"	105.513367	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H+K"	39.970434
"250627"	384.146426	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+ACN+H"	42.033826
"1224062"	213.090126	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+ACN+H"	42.033826
"1208188"	107.048701	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+ACN+2H"	43.041102
"201668"	387.08376	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+2Na-H"	44.97116
"643051"	558.14006	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+2Na-H"	44.97116
"1141082"	216.02746	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2Na-H"	44.97116
"174895"	194.045518	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+2Na"	45.978436
"618466"	279.573668	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+2Na"	45.978436
"1122336"	108.517368	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2Na"	45.978436
"1405496"	72.6806706666667	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H+2Na"	46.985712
"1437610"	218.069046	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H+HCOOH"	47.012746
"230585"	199.07854	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+3H2O+2H"	56.04448
"1514272"	232.12109	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+IsoProp+H"	61.06479
"411770"	202.032488	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+Na+K"	61.952376
"773862"	287.560638	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+Na+K"	61.952376
"1677854"	116.504338	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Na+K"	61.952376
"254529"	406.128368	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+ACN+Na"	64.015768
"1228332"	235.072068	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+ACN+Na"	64.015768
"1717214"	235.095593	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+NH4+HCOOH"	64.039293
"1182568"	80.0079846666667	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+3Na"	68.967654
"1656838"	240.050988	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Na+HCOOH"	68.994688
"164794"	419.03164	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+2K-H"	76.91904
"601072"	590.08794	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+2K-H"	76.91904
"1089955"	247.97534	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2K-H"	76.91904
"145681"	210.019458	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"2M+2K"	77.926316
"584146"	295.547608	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"3M+2K"	77.926316
"1071574"	124.491308	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2K"	77.926316
"1101383"	249.989892	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2K+H"	78.933592
"1341542"	250.077507	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+DMSO+H"	79.021207
"1007885"	254.116676	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2ACN+H"	83.060376
"1531481"	255.110308	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+IsoProp+Na+H"	84.054008
"997930"	127.561976	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+2ACN+2H"	84.067652
"1594619"	256.024928	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+K+HCOOH"	84.968628
"1421375"	286.056438	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+H+CF3COOH"	115.000138
"1153849"	148.075251	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+3ACN+2H"	125.094202
"1702308"	303.082985	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+NH4+CF3COOH"	132.026685
"1642334"	308.03838	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+Na+CF3COOH"	136.98208
"1584550"	324.01232	"C19138"	"Crimidine"	"C7H10ClN3"	"171.0563"	"M+K+CF3COOH"	152.95602
"802280"	511.1896	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M"	0
"974835"	492.17121	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-H2O-H"	-19.01839
"71226"	339.785790666667	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M-3H"	-3.021828
"516256"	510.182324	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M-3H"	-3.021828
"889683"	169.389257333333	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-3H"	-3.021828
"10444"	510.182324	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M-2H"	-2.014552
"454994"	765.777124	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M-2H"	-2.014552
"827810"	254.587524	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-2H"	-2.014552
"91082"	1021.371924	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M-H"	-1.007276
"524083"	1532.561524	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M-H"	-1.007276
"906260"	510.182324	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-H"	-1.007276
"57356"	1038.398471	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M-2H+NH4"	16.019271
"498983"	1549.588071	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M-2H+NH4"	16.019271
"877274"	527.208871	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-2H+NH4"	16.019271
"43717"	1043.353866	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M-2H+Na"	20.974666
"481088"	1554.543466	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M-2H+Na"	20.974666
"853058"	532.164266	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-2H+Na"	20.974666
"1621861"	532.164266	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Na-2H"	20.974666
"99487"	528.170663	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M-H+Cl"	33.962126
"535035"	783.765463	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M-H+Cl"	33.962126
"927498"	272.575863	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-H+Cl"	33.962126
"278776"	1057.348602	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+Cl"	34.969402
"671203"	1568.538202	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+Cl"	34.969402
"1284699"	546.159002	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Cl"	34.969402
"28353"	1059.327806	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M-2H+K"	36.948606
"468277"	1570.517406	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M-2H+K"	36.948606
"845350"	548.138206	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-2H+K"	36.948606
"1562639"	548.138206	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+K-2H"	36.948606
"950520"	556.187794	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-H+HCOOH"	44.998194
"366546"	1067.377401	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+HCOOH-H"	44.998201
"352616"	1081.393051	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+Hac-H"	59.013851
"1497075"	570.203451	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Hac-H"	59.013851
"963522"	578.169751	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-H+NaCOOH"	66.980151
"118992"	546.159002	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+2Cl"	69.938804
"561471"	801.753802	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+2Cl"	69.938804
"1032819"	290.564202	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2Cl"	69.938804
"1255680"	590.108485	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Br"	78.918885
"1317032"	592.164472	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Cl+HCOOH"	80.974872
"1330158"	614.146429	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Cl+NaCOOH"	102.956829
"922314"	624.175186	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M-H+CF3COOH"	112.985586
"1300845"	660.151864	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Cl+CF3COOH"	148.962264
"1373903"	476.176924	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H-2H2O"	-35.012676
"1387024"	494.1869	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H-H2O"	-17.0027
"289990"	1023.386476	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+H"	1.007276
"685691"	1534.576076	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+H"	1.007276
"1360946"	512.196876	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H"	1.007276
"131649"	512.196876	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+2H"	2.014552
"571209"	767.791676	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+2H"	2.014552
"1043288"	256.602076	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2H"	2.014552
"214470"	341.800342666667	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+3H"	3.021828
"655124"	512.196876	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+3H"	3.021828
"1169239"	171.403809333333	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+3H"	3.021828
"436159"	1040.413023	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+NH4"	18.033823
"792052"	1551.602623	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+NH4"	18.033823
"1686195"	529.223423	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+NH4"	18.033823
"334835"	520.7101495	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+H+NH4"	19.041099
"724583"	776.3049495	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+H+NH4"	19.041099
"1480352"	265.1153495	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H+NH4"	19.041099
"395030"	1045.368418	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+Na"	22.989218
"764776"	1556.558018	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+Na"	22.989218
"1609593"	534.178818	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Na"	22.989218
"324009"	523.187847	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+H+Na"	23.996494
"719343"	778.782647	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+H+Na"	23.996494
"1472433"	267.593047	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H+Na"	23.996494
"1063491"	178.731123333333	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2H+Na"	25.00377
"1261890"	544.223086	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+CH3OH+H"	33.033486
"380464"	1061.342358	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+K"	38.963158
"744741"	1572.531958	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+K"	38.963158
"1547890"	550.152758	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+K"	38.963158
"302516"	531.174817	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+H+K"	39.970434
"705518"	786.769617	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+H+K"	39.970434
"1458613"	275.580017	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H+K"	39.970434
"250128"	1064.413026	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+ACN+H"	42.033826
"1224661"	553.223426	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+ACN+H"	42.033826
"1207810"	277.115351	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+ACN+2H"	43.041102
"202142"	1067.35036	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+2Na-H"	44.97116
"643769"	1578.53996	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+2Na-H"	44.97116
"1141921"	556.16076	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2Na-H"	44.97116
"176828"	534.178818	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+2Na"	45.978436
"616753"	789.773618	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+2Na"	45.978436
"1122446"	278.584018	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2Na"	45.978436
"1405606"	186.058437333333	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H+2Na"	46.985712
"1437720"	558.202346	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H+HCOOH"	47.012746
"232882"	539.21184	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+3H2O+2H"	56.04448
"1517663"	572.25439	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+IsoProp+H"	61.06479
"416255"	542.165788	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+Na+K"	61.952376
"776159"	797.760588	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+Na+K"	61.952376
"1676869"	286.570988	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Na+K"	61.952376
"256826"	1086.394968	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+ACN+Na"	64.015768
"1228438"	575.205368	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+ACN+Na"	64.015768
"1718416"	575.228893	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+NH4+HCOOH"	64.039293
"1183770"	193.385751333333	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+3Na"	68.967654
"1652937"	580.184288	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Na+HCOOH"	68.994688
"161622"	1099.29824	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+2K-H"	76.91904
"603368"	1610.48784	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+2K-H"	76.91904
"1091160"	588.10864	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2K-H"	76.91904
"145791"	550.152758	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"2M+2K"	77.926316
"585349"	805.747558	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"3M+2K"	77.926316
"1071321"	294.557958	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2K"	77.926316
"1103074"	590.123192	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2K+H"	78.933592
"1336665"	590.210807	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+DMSO+H"	79.021207
"1009080"	594.249976	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2ACN+H"	83.060376
"1525996"	595.243608	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+IsoProp+Na+H"	84.054008
"994759"	297.628626	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+2ACN+2H"	84.067652
"1590354"	596.158228	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+K+HCOOH"	84.968628
"1421484"	626.189738	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+H+CF3COOH"	115.000138
"1151772"	318.141901	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+3ACN+2H"	125.094202
"1700229"	643.216285	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+NH4+CF3COOH"	132.026685
"1634910"	648.17168	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+Na+CF3COOH"	136.98208
"1584660"	664.14562	"C19139"	"Norbormide"	"C33H25N3O3"	"511.1896"	"M+K+CF3COOH"	152.95602
"802997"	373.9812	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M"	0
"975190"	354.96281	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-H2O-H"	-19.01839
"65138"	248.313524	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M-3H"	-3.021828
"515272"	372.973924	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M-3H"	-3.021828
"889793"	123.653124	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-3H"	-3.021828
"10554"	372.973924	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M-2H"	-2.014552
"455518"	559.964524	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M-2H"	-2.014552
"829013"	185.983324	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-2H"	-2.014552
"93136"	746.955124	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M-H"	-1.007276
"527472"	1120.936324	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M-H"	-1.007276
"906369"	372.973924	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-H"	-1.007276
"58558"	763.981671	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M-2H+NH4"	16.019271
"500307"	1137.962871	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M-2H+NH4"	16.019271
"877745"	390.000471	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-2H+NH4"	16.019271
"44918"	768.937066	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M-2H+Na"	20.974666
"482291"	1142.918266	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M-2H+Na"	20.974666
"854261"	394.955866	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-2H+Na"	20.974666
"1622336"	394.955866	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Na-2H"	20.974666
"99597"	390.962263	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M-H+Cl"	33.962126
"534659"	577.952863	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M-H+Cl"	33.962126
"929389"	203.971663	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-H+Cl"	33.962126
"276699"	782.931802	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+Cl"	34.969402
"670220"	1156.913002	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+Cl"	34.969402
"1285902"	408.950602	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Cl"	34.969402
"28825"	784.911006	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M-2H+K"	36.948606
"468019"	1158.892206	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M-2H+K"	36.948606
"840356"	410.929806	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-2H+K"	36.948606
"1561654"	410.929806	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+K-2H"	36.948606
"949535"	418.979394	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-H+HCOOH"	44.998194
"367749"	792.960601	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+HCOOH-H"	44.998201
"350539"	806.976251	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+Hac-H"	59.013851
"1498278"	432.995051	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Hac-H"	59.013851
"966913"	440.961351	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-H+NaCOOH"	66.980151
"116917"	408.950602	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+2Cl"	69.938804
"559759"	595.941202	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+2Cl"	69.938804
"1032931"	221.960002	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2Cl"	69.938804
"1255913"	452.900085	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Br"	78.918885
"1319730"	454.956072	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Cl+HCOOH"	80.974872
"1330268"	476.938029	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Cl+NaCOOH"	102.956829
"919141"	486.966786	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M-H+CF3COOH"	112.985586
"1300223"	522.943464	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Cl+CF3COOH"	148.962264
"1377292"	338.968524	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H-2H2O"	-35.012676
"1386041"	356.9785	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H-H2O"	-17.0027
"293380"	748.969676	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+H"	1.007276
"687625"	1122.950876	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+H"	1.007276
"1364336"	374.988476	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H"	1.007276
"137226"	374.988476	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+2H"	2.014552
"575693"	561.979076	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+2H"	2.014552
"1046680"	187.997876	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2H"	2.014552
"217861"	250.328076	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+3H"	3.021828
"657786"	374.988476	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+3H"	3.021828
"1170443"	125.667676	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+3H"	3.021828
"436269"	765.996223	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+NH4"	18.033823
"796536"	1139.977423	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+NH4"	18.033823
"1685940"	392.015023	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+NH4"	18.033823
"335676"	383.5017495	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+H+NH4"	19.041099
"728825"	570.4923495	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+H+NH4"	19.041099
"1480097"	196.5111495	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H+NH4"	19.041099
"395503"	770.951618	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+Na"	22.989218
"764886"	1144.932818	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+Na"	22.989218
"1609703"	396.970418	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Na"	22.989218
"326305"	385.979447	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+H+Na"	23.996494
"718724"	572.970047	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+H+Na"	23.996494
"1472543"	198.988847	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H+Na"	23.996494
"1061414"	132.99499	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2H+Na"	25.00377
"1264186"	407.014686	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+CH3OH+H"	33.033486
"380574"	786.925558	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+K"	38.963158
"745945"	1160.906758	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+K"	38.963158
"1541799"	412.944358	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+K"	38.963158
"304448"	393.966417	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+H+K"	39.970434
"703434"	580.957017	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+H+K"	39.970434
"1460743"	206.975817	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H+K"	39.970434
"250724"	789.996226	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+ACN+H"	42.033826
"1225298"	416.015026	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+ACN+H"	42.033826
"1207556"	208.511151	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+ACN+2H"	43.041102
"203224"	792.93356	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+2Na-H"	44.97116
"643512"	1166.91476	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+2Na-H"	44.97116
"1142394"	418.95236	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2Na-H"	44.97116
"179125"	396.970418	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+2Na"	45.978436
"619778"	583.961018	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+2Na"	45.978436
"1128752"	209.979818	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2Na"	45.978436
"1408996"	140.322304	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H+2Na"	46.985712
"1442204"	420.993946	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H+HCOOH"	47.012746
"235225"	402.00344	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+3H2O+2H"	56.04448
"1519960"	435.04599	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+IsoProp+H"	61.06479
"418553"	404.957388	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+Na+K"	61.952376
"780641"	591.947988	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+Na+K"	61.952376
"1675886"	217.966788	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Na+K"	61.952376
"256207"	811.978168	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+ACN+Na"	64.015768
"1230372"	437.996968	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+ACN+Na"	64.015768
"1721806"	438.020493	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+NH4+HCOOH"	64.039293
"1184974"	147.649618	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+3Na"	68.967654
"1659243"	442.975888	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Na+HCOOH"	68.994688
"162824"	824.88144	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+2K-H"	76.91904
"605664"	1198.86264	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+2K-H"	76.91904
"1091635"	450.90024	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2K-H"	76.91904
"148087"	412.944358	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"2M+2K"	77.926316
"587647"	599.934958	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"3M+2K"	77.926316
"1072161"	225.953758	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2K"	77.926316
"1104274"	452.914792	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2K+H"	78.933592
"1337866"	453.002407	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+DMSO+H"	79.021207
"1010283"	457.041576	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2ACN+H"	83.060376
"1524644"	458.035208	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+IsoProp+Na+H"	84.054008
"994869"	229.024426	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+2ACN+2H"	84.067652
"1592651"	458.949828	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+K+HCOOH"	84.968628
"1420501"	488.981338	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+H+CF3COOH"	115.000138
"1151882"	249.537701	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+3ACN+2H"	125.094202
"1700339"	506.007885	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+NH4+CF3COOH"	132.026685
"1635019"	510.96328	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+Na+CF3COOH"	136.98208
"1584770"	526.93722	"C19140"	"Phosacetim"	"C14H13Cl2N2O2PS"	"373.9812"	"M+K+CF3COOH"	152.95602
"802379"	230.0943	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M"	0
"974451"	211.07591	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-H2O-H"	-19.01839
"63791"	152.388924	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M-3H"	-3.021828
"514289"	229.087024	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M-3H"	-3.021828
"889903"	75.690824	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-3H"	-3.021828
"3009"	229.087024	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M-2H"	-2.014552
"455565"	344.134174	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M-2H"	-2.014552
"830217"	114.039874	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-2H"	-2.014552
"90209"	459.181324	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M-H"	-1.007276
"524303"	689.275624	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M-H"	-1.007276
"904293"	229.087024	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-H"	-1.007276
"57575"	476.207871	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M-2H+NH4"	16.019271
"499324"	706.302171	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M-2H+NH4"	16.019271
"876762"	246.113571	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-2H+NH4"	16.019271
"43935"	481.163266	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M-2H+Na"	20.974666
"483494"	711.257566	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M-2H+Na"	20.974666
"852914"	251.068966	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-2H+Na"	20.974666
"1621353"	251.068966	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Na-2H"	20.974666
"99706"	247.075363	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M-H+Cl"	33.962126
"534484"	362.122513	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M-H+Cl"	33.962126
"928407"	132.028213	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-H+Cl"	33.962126
"272433"	495.158002	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+Cl"	34.969402
"669234"	725.252302	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+Cl"	34.969402
"1281636"	265.063702	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Cl"	34.969402
"27477"	497.137206	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M-2H+K"	36.948606
"468129"	727.231506	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M-2H+K"	36.948606
"842652"	267.042906	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-2H+K"	36.948606
"1561764"	267.042906	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+K-2H"	36.948606
"949644"	275.092494	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-H+HCOOH"	44.998194
"364579"	505.186801	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+HCOOH-H"	44.998201
"350649"	519.202451	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+Hac-H"	59.013851
"1498388"	289.108151	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Hac-H"	59.013851
"963743"	297.074451	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-H+NaCOOH"	66.980151
"117027"	265.063702	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+2Cl"	69.938804
"559869"	380.110852	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+2Cl"	69.938804
"1034134"	150.016552	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2Cl"	69.938804
"1252618"	309.013185	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Br"	78.918885
"1318715"	311.069172	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Cl+HCOOH"	80.974872
"1330378"	333.051129	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Cl+NaCOOH"	102.956829
"919251"	343.079886	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M-H+CF3COOH"	112.985586
"1299240"	379.056564	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Cl+CF3COOH"	148.962264
"1378495"	195.081624	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H-2H2O"	-35.012676
"1389431"	213.0916	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H-H2O"	-17.0027
"290211"	461.195876	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+H"	1.007276
"683726"	691.290176	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+H"	1.007276
"1364447"	231.101576	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H"	1.007276
"138431"	231.101576	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+2H"	2.014552
"578719"	346.148726	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+2H"	2.014552
"1050070"	116.054426	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2H"	2.014552
"216757"	154.403476	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+3H"	3.021828
"657775"	231.101576	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+3H"	3.021828
"1174563"	77.705376	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+3H"	3.021828
"436379"	478.222423	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+NH4"	18.033823
"791542"	708.316723	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+NH4"	18.033823
"1685683"	248.128123	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+NH4"	18.033823
"337974"	239.6148495	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+H+NH4"	19.041099
"728206"	354.6619995	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+H+NH4"	19.041099
"1479114"	124.5676995	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H+NH4"	19.041099
"392938"	483.177818	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+Na"	22.989218
"763903"	713.272118	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+Na"	22.989218
"1608720"	253.083518	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Na"	22.989218
"325322"	242.092547	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+H+Na"	23.996494
"716648"	357.139697	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+H+Na"	23.996494
"1472653"	127.045397	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H+Na"	23.996494
"1061524"	85.03269	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2H+Na"	25.00377
"1262110"	263.127786	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+CH3OH+H"	33.033486
"379591"	499.151758	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+K"	38.963158
"746055"	729.246058	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+K"	38.963158
"1541180"	269.057458	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+K"	38.963158
"303465"	250.079517	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+H+K"	39.970434
"700992"	365.126667	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+H+K"	39.970434
"1458463"	135.032367	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H+K"	39.970434
"250468"	502.222426	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+ACN+H"	42.033826
"1225406"	272.128126	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+ACN+H"	42.033826
"1205844"	136.567701	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+ACN+2H"	43.041102
"199080"	505.15976	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+2Na-H"	44.97116
"641554"	735.25406	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+2Na-H"	44.97116
"1139224"	275.06546	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2Na-H"	44.97116
"178140"	253.083518	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+2Na"	45.978436
"617700"	368.130668	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+2Na"	45.978436
"1122301"	138.036368	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2Na"	45.978436
"1409106"	92.360004	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H+2Na"	46.985712
"1441221"	277.107046	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H+HCOOH"	47.012746
"234927"	258.11654	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+3H2O+2H"	56.04448
"1523109"	291.15909	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+IsoProp+H"	61.06479
"418663"	261.070488	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+Na+K"	61.952376
"780751"	376.117638	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+Na+K"	61.952376
"1671624"	146.023338	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Na+K"	61.952376
"257046"	524.204368	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+ACN+Na"	64.015768
"1230846"	294.110068	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+ACN+Na"	64.015768
"1719729"	294.133593	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+NH4+HCOOH"	64.039293
"1187270"	99.687318	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+3Na"	68.967654
"1657166"	299.088988	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Na+HCOOH"	68.994688
"165119"	537.10764	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+2K-H"	76.91904
"605774"	767.20194	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+2K-H"	76.91904
"1089560"	307.01334	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2K-H"	76.91904
"147104"	269.057458	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"2M+2K"	77.926316
"584478"	384.104608	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"3M+2K"	77.926316
"1072271"	154.010308	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2K"	77.926316
"1101105"	309.027892	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2K+H"	78.933592
"1335911"	309.115507	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+DMSO+H"	79.021207
"1008207"	313.154676	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2ACN+H"	83.060376
"1525361"	314.148308	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+IsoProp+Na+H"	84.054008
"997166"	157.080976	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+2ACN+2H"	84.067652
"1592761"	315.062928	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+K+HCOOH"	84.968628
"1417329"	345.094438	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+H+CF3COOH"	115.000138
"1150897"	177.594251	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+3ACN+2H"	125.094202
"1700084"	362.120985	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+NH4+CF3COOH"	132.026685
"1639384"	367.07638	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+Na+CF3COOH"	136.98208
"1575039"	383.05032	"C19141"	"Pindone"	"C14H14O3"	"230.0943"	"M+K+CF3COOH"	152.95602
"802489"	226.1205	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M"	0
"974683"	207.10211	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-H2O-H"	-19.01839
"64994"	149.739724	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M-3H"	-3.021828
"514399"	225.113224	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M-3H"	-3.021828
"890013"	74.366224	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-3H"	-3.021828
"4212"	225.113224	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M-2H"	-2.014552
"455365"	338.173474	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M-2H"	-2.014552
"827047"	112.052974	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-2H"	-2.014552
"90319"	451.233724	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M-H"	-1.007276
"524413"	677.354224	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M-H"	-1.007276
"903311"	225.113224	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-H"	-1.007276
"53310"	468.260271	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M-2H+NH4"	16.019271
"496152"	694.380771	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M-2H+NH4"	16.019271
"876142"	242.139771	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-2H+NH4"	16.019271
"41855"	473.215666	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M-2H+Na"	20.974666
"482509"	699.336166	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M-2H+Na"	20.974666
"850105"	247.095166	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-2H+Na"	20.974666
"1619638"	247.095166	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Na-2H"	20.974666
"97994"	243.101563	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M-H+Cl"	33.962126
"541564"	356.161813	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M-H+Cl"	33.962126
"935079"	130.041313	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-H+Cl"	33.962126
"272543"	487.210402	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+Cl"	34.969402
"669344"	713.330902	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+Cl"	34.969402
"1281746"	261.089902	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Cl"	34.969402
"21023"	489.189606	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M-2H+K"	36.948606
"462771"	715.310106	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M-2H+K"	36.948606
"840572"	263.069106	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-2H+K"	36.948606
"1562965"	263.069106	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+K-2H"	36.948606
"945380"	271.118694	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-H+HCOOH"	44.998194
"364689"	497.239201	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+HCOOH-H"	44.998201
"349667"	511.254851	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+Hac-H"	59.013851
"1496677"	285.134351	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Hac-H"	59.013851
"960936"	293.100651	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-H+NaCOOH"	66.980151
"113489"	261.089902	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+2Cl"	69.938804
"558883"	374.150152	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+2Cl"	69.938804
"1033151"	148.029652	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2Cl"	69.938804
"1255646"	305.039385	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Br"	78.918885
"1316274"	307.095372	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Cl+HCOOH"	80.974872
"1330488"	329.077329	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Cl+NaCOOH"	102.956829
"917173"	339.106086	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M-H+CF3COOH"	112.985586
"1294974"	375.082764	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Cl+CF3COOH"	148.962264
"1376417"	191.107824	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H-2H2O"	-35.012676
"1389541"	209.1178	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H-H2O"	-17.0027
"290321"	453.248276	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+H"	1.007276
"682744"	679.368776	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+H"	1.007276
"1363464"	227.127776	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H"	1.007276
"138176"	227.127776	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+2H"	2.014552
"579559"	340.188026	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+2H"	2.014552
"1051641"	114.067526	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2H"	2.014552
"218691"	151.754276	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+3H"	3.021828
"657646"	227.127776	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+3H"	3.021828
"1171391"	76.380776	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+3H"	3.021828
"437462"	470.274823	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+NH4"	18.033823
"794570"	696.395323	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+NH4"	18.033823
"1686159"	244.154323	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+NH4"	18.033823
"338082"	235.6410495	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+H+NH4"	19.041099
"726493"	348.7012995	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+H+NH4"	19.041099
"1478133"	122.5807995	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H+NH4"	19.041099
"393535"	475.230218	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+Na"	22.989218
"757803"	701.350718	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+Na"	22.989218
"1602871"	249.109718	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Na"	22.989218
"314311"	238.118747	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+H+Na"	23.996494
"707224"	351.178997	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+H+Na"	23.996494
"1461313"	125.058497	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H+Na"	23.996494
"1052817"	83.70809	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2H+Na"	25.00377
"1258202"	259.153986	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+CH3OH+H"	33.033486
"378961"	491.204158	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+K"	38.963158
"742885"	717.324658	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+K"	38.963158
"1546033"	265.083658	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+K"	38.963158
"309771"	246.105717	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+H+K"	39.970434
"701102"	359.165967	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+H+K"	39.970434
"1459666"	133.045467	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H+K"	39.970434
"251270"	494.274826	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+ACN+H"	42.033826
"1224989"	268.154326	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+ACN+H"	42.033826
"1208875"	134.580801	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+ACN+2H"	43.041102
"201377"	497.21216	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+2Na-H"	44.97116
"642031"	723.33266	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+2Na-H"	44.97116
"1139335"	271.09166	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2Na-H"	44.97116
"181531"	249.109718	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+2Na"	45.978436
"618904"	362.169968	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+2Na"	45.978436
"1122411"	136.049468	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2Na"	45.978436
"1413107"	91.035404	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H+2Na"	46.985712
"1444126"	273.133246	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H+HCOOH"	47.012746
"235405"	254.14274	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+3H2O+2H"	56.04448
"1524035"	287.18529	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+IsoProp+H"	61.06479
"421325"	257.096688	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+Na+K"	61.952376
"779768"	370.156938	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+Na+K"	61.952376
"1673921"	144.036438	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Na+K"	61.952376
"259342"	516.256768	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+ACN+Na"	64.015768
"1233509"	290.136268	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+ACN+Na"	64.015768
"1723119"	290.159793	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+NH4+HCOOH"	64.039293
"1187746"	98.362718	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+3Na"	68.967654
"1659461"	295.115188	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Na+HCOOH"	68.994688
"166324"	529.16004	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+2K-H"	76.91904
"605884"	755.28054	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+2K-H"	76.91904
"1093315"	303.03954	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2K-H"	76.91904
"150497"	265.083658	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"2M+2K"	77.926316
"586777"	378.143908	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"3M+2K"	77.926316
"1074569"	152.023408	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2K"	77.926316
"1101216"	305.054092	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2K+H"	78.933592
"1338694"	305.141707	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+DMSO+H"	79.021207
"1010506"	309.180876	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2ACN+H"	83.060376
"1525350"	310.174508	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+IsoProp+Na+H"	84.054008
"997276"	155.094076	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+2ACN+2H"	84.067652
"1591777"	311.089128	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+K+HCOOH"	84.968628
"1419625"	341.120638	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+H+CF3COOH"	115.000138
"1148819"	175.607351	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+3ACN+2H"	125.094202
"1698736"	358.147185	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+NH4+CF3COOH"	132.026685
"1638401"	363.10258	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+Na+CF3COOH"	136.98208
"1575149"	379.07652	"C19142"	"Butopyronoxyl"	"C12H18O4"	"226.1205"	"M+K+CF3COOH"	152.95602
"802963"	230.1518	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M"	0
"976130"	211.13341	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-H2O-H"	-19.01839
"64739"	152.427257333333	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M-3H"	-3.021828
"509038"	229.144524	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M-3H"	-3.021828
"885748"	75.7099906666667	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-3H"	-3.021828
"3229"	229.144524	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M-2H"	-2.014552
"449354"	344.220424	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M-2H"	-2.014552
"827157"	114.068624	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-2H"	-2.014552
"90429"	459.296324	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M-H"	-1.007276
"531082"	689.448124	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M-H"	-1.007276
"904513"	229.144524	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-H"	-1.007276
"50138"	476.322871	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M-2H+NH4"	16.019271
"492979"	706.474671	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M-2H+NH4"	16.019271
"874066"	246.171071	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-2H+NH4"	16.019271
"35768"	481.278266	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M-2H+Na"	20.974666
"481527"	711.430066	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M-2H+Na"	20.974666
"851313"	251.126466	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-2H+Na"	20.974666
"1619388"	251.126466	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Na-2H"	20.974666
"104303"	247.132863	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M-H+Cl"	33.962126
"547023"	362.208763	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M-H+Cl"	33.962126
"935192"	132.056963	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-H+Cl"	33.962126
"273747"	495.273002	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+Cl"	34.969402
"672736"	725.424802	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+Cl"	34.969402
"1278577"	265.121202	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Cl"	34.969402
"26603"	497.252206	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M-2H+K"	36.948606
"465068"	727.404006	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M-2H+K"	36.948606
"839588"	267.100406	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-2H+K"	36.948606
"1566356"	267.100406	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+K-2H"	36.948606
"948774"	275.149994	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-H+HCOOH"	44.998194
"368080"	505.301801	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+HCOOH-H"	44.998201
"349777"	519.317451	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+Hac-H"	59.013851
"1496787"	289.165651	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Hac-H"	59.013851
"963234"	297.131951	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-H+NaCOOH"	66.980151
"113963"	265.121202	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+2Cl"	69.938804
"555712"	380.197102	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+2Cl"	69.938804
"1034355"	150.045302	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2Cl"	69.938804
"1252842"	309.070685	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Br"	78.918885
"1318449"	311.126672	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Cl+HCOOH"	80.974872
"1328411"	333.108629	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Cl+NaCOOH"	102.956829
"917286"	343.137386	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M-H+CF3COOH"	112.985586
"1296180"	379.114064	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Cl+CF3COOH"	148.962264
"1378716"	195.139124	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H-2H2O"	-35.012676
"1389652"	213.1491	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H-H2O"	-17.0027
"290431"	461.310876	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+H"	1.007276
"680666"	691.462676	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+H"	1.007276
"1355920"	231.159076	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H"	1.007276
"132088"	231.159076	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+2H"	2.014552
"579181"	346.234976	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+2H"	2.014552
"1052237"	116.083176	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2H"	2.014552
"218070"	154.441809333333	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+3H"	3.021828
"659455"	231.159076	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+3H"	3.021828
"1175879"	77.7245426666667	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+3H"	3.021828
"436602"	478.337423	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+NH4"	18.033823
"795773"	708.489223	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+NH4"	18.033823
"1690280"	248.185623	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+NH4"	18.033823
"337101"	239.6723495	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+H+NH4"	19.041099
"728428"	354.7482495	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+H+NH4"	19.041099
"1478608"	124.5964495	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H+NH4"	19.041099
"393442"	483.292818	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+Na"	22.989218
"754559"	713.444618	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+Na"	22.989218
"1604555"	253.141018	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Na"	22.989218
"315693"	242.150047	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+H+Na"	23.996494
"708474"	357.225947	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+H+Na"	23.996494
"1461770"	127.074147	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H+Na"	23.996494
"1053596"	85.0518566666667	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2H+Na"	25.00377
"1258674"	263.185286	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+CH3OH+H"	33.033486
"378467"	499.266758	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+K"	38.963158
"738862"	729.418558	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+K"	38.963158
"1546143"	269.114958	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+K"	38.963158
"309883"	250.137017	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+H+K"	39.970434
"697933"	365.212917	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+H+K"	39.970434
"1459776"	135.061117	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H+K"	39.970434
"251257"	502.337426	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+ACN+H"	42.033826
"1225099"	272.185626	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+ACN+H"	42.033826
"1209470"	136.596451	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+ACN+2H"	43.041102
"203192"	505.27476	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+2Na-H"	44.97116
"641410"	735.42656	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+2Na-H"	44.97116
"1139446"	275.12296	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2Na-H"	44.97116
"181641"	253.141018	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+2Na"	45.978436
"620108"	368.216918	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+2Na"	45.978436
"1122521"	138.065118	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2Na"	45.978436
"1412242"	92.3791706666667	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H+2Na"	46.985712
"1441441"	277.164546	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H+HCOOH"	47.012746
"235609"	258.17404	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+3H2O+2H"	56.04448
"1523578"	291.21659	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+IsoProp+H"	61.06479
"422163"	261.127988	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+Na+K"	61.952376
"780971"	376.203888	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+Na+K"	61.952376
"1675125"	146.052088	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Na+K"	61.952376
"258359"	524.319368	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+ACN+Na"	64.015768
"1232526"	294.167568	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+ACN+Na"	64.015768
"1721045"	294.191093	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+NH4+HCOOH"	64.039293
"1188949"	99.7064846666667	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+3Na"	68.967654
"1660663"	299.146488	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Na+HCOOH"	68.994688
"165340"	537.22264	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+2K-H"	76.91904
"604172"	767.37444	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+2K-H"	76.91904
"1092696"	307.07084	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2K-H"	76.91904
"148419"	269.114958	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"2M+2K"	77.926316
"590167"	384.190858	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"3M+2K"	77.926316
"1074678"	154.039058	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2K"	77.926316
"1103513"	309.085392	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2K+H"	78.933592
"1343179"	309.173007	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+DMSO+H"	79.021207
"1013896"	313.212176	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2ACN+H"	83.060376
"1526554"	314.205808	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+IsoProp+Na+H"	84.054008
"995199"	157.109726	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+2ACN+2H"	84.067652
"1591887"	315.120428	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+K+HCOOH"	84.968628
"1416455"	345.151938	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+H+CF3COOH"	115.000138
"1149293"	177.623001	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+3ACN+2H"	125.094202
"1699939"	362.178485	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+NH4+CF3COOH"	132.026685
"1647259"	367.13388	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+Na+CF3COOH"	136.98208
"1575259"	383.10782	"C19143"	"Dibutyl succinate"	"C12H22O4"	"230.1518"	"M+K+CF3COOH"	152.95602
"802466"	329.178	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M"	0
"975024"	310.15961	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-H2O-H"	-19.01839
"64606"	218.444724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M-3H"	-3.021828
"509148"	328.170724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M-3H"	-3.021828
"886951"	108.718724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-3H"	-3.021828
"1271"	328.170724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M-2H"	-2.014552
"445086"	492.759724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M-2H"	-2.014552
"823985"	163.581724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-2H"	-2.014552
"87258"	657.348724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M-H"	-1.007276
"530099"	986.526724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M-H"	-1.007276
"904623"	328.170724	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-H"	-1.007276
"50977"	674.375271	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M-2H+NH4"	16.019271
"493089"	1003.553271	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M-2H+NH4"	16.019271
"875269"	345.197271	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-2H+NH4"	16.019271
"34783"	679.330666	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M-2H+Na"	20.974666
"481636"	1008.508666	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M-2H+Na"	20.974666
"850695"	350.152666	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-2H+Na"	20.974666
"1618971"	350.152666	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Na-2H"	20.974666
"104413"	346.159063	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M-H+Cl"	33.962126
"544339"	510.748063	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M-H+Cl"	33.962126
"935302"	181.570063	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-H+Cl"	33.962126
"273857"	693.325402	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+Cl"	34.969402
"667379"	1022.503402	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+Cl"	34.969402
"1279780"	364.147402	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Cl"	34.969402
"23432"	695.304606	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M-2H+K"	36.948606
"461897"	1024.482606	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M-2H+K"	36.948606
"838605"	366.126606	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-2H+K"	36.948606
"1564279"	366.126606	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+K-2H"	36.948606
"948884"	374.176194	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-H+HCOOH"	44.998194
"364911"	703.354201	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+HCOOH-H"	44.998201
"348791"	717.369851	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+Hac-H"	59.013851
"1494709"	388.191851	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Hac-H"	59.013851
"959575"	396.158151	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-H+NaCOOH"	66.980151
"112981"	364.147402	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+2Cl"	69.938804
"553635"	528.736402	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+2Cl"	69.938804
"1027902"	199.558402	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2Cl"	69.938804
"1250762"	408.096885	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Br"	78.918885
"1317584"	410.152872	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Cl+HCOOH"	80.974872
"1324148"	432.134829	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Cl+NaCOOH"	102.956829
"919582"	442.163586	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M-H+CF3COOH"	112.985586
"1297383"	478.140264	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Cl+CF3COOH"	148.962264
"1377733"	294.165324	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H-2H2O"	-35.012676
"1389762"	312.1753	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H-H2O"	-17.0027
"287260"	659.363276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+H"	1.007276
"677496"	988.541276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+H"	1.007276
"1354936"	330.185276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H"	1.007276
"127824"	330.185276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+2H"	2.014552
"578318"	494.774276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+2H"	2.014552
"1051008"	165.596276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2H"	2.014552
"218180"	220.459276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+3H"	3.021828
"656767"	330.185276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+3H"	3.021828
"1173802"	110.733276	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+3H"	3.021828
"437804"	676.389823	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+NH4"	18.033823
"795884"	1005.567823	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+NH4"	18.033823
"1690027"	347.211823	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+NH4"	18.033823
"337212"	338.6985495	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+H+NH4"	19.041099
"727809"	503.2875495	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+H+NH4"	19.041099
"1479448"	174.1095495	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H+NH4"	19.041099
"394119"	681.345218	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+Na"	22.989218
"754750"	1010.523218	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+Na"	22.989218
"1603693"	352.167218	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Na"	22.989218
"315803"	341.176247	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+H+Na"	23.996494
"707855"	505.765247	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+H+Na"	23.996494
"1462168"	176.587247	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H+Na"	23.996494
"1053828"	118.06059	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2H+Na"	25.00377
"1258786"	362.211486	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+CH3OH+H"	33.033486
"380278"	697.319158	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+K"	38.963158
"740544"	1026.497158	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+K"	38.963158
"1546253"	368.141158	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+K"	38.963158
"306711"	349.163217	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+H+K"	39.970434
"699136"	513.752217	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+H+K"	39.970434
"1456241"	184.574217	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H+K"	39.970434
"250682"	700.389826	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+ACN+H"	42.033826
"1225209"	371.211826	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+ACN+H"	42.033826
"1208608"	186.109551	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+ACN+2H"	43.041102
"203424"	703.32716	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+2Na-H"	44.97116
"640427"	1032.50516	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+2Na-H"	44.97116
"1139556"	374.14916	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2Na-H"	44.97116
"181751"	352.167218	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+2Na"	45.978436
"620218"	516.756218	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+2Na"	45.978436
"1122631"	187.578218	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2Na"	45.978436
"1411988"	125.387904	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H+2Na"	46.985712
"1441551"	376.190746	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H+HCOOH"	47.012746
"235260"	357.20024	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+3H2O+2H"	56.04448
"1523322"	390.24279	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+IsoProp+H"	61.06479
"421180"	360.154188	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+Na+K"	61.952376
"778896"	524.743188	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+Na+K"	61.952376
"1675235"	195.565188	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Na+K"	61.952376
"259562"	722.371768	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+ACN+Na"	64.015768
"1232271"	393.193768	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+ACN+Na"	64.015768
"1719697"	393.217293	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+NH4+HCOOH"	64.039293
"1188696"	132.715218	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+3Na"	68.967654
"1660773"	398.172688	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Na+HCOOH"	68.994688
"165451"	735.27504	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+2K-H"	76.91904
"603190"	1064.45304	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+2K-H"	76.91904
"1093898"	406.09704	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2K-H"	76.91904
"148529"	368.141158	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"2M+2K"	77.926316
"586997"	532.730158	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"3M+2K"	77.926316
"1072600"	203.552158	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2K"	77.926316
"1104716"	408.111592	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2K+H"	78.933592
"1338915"	408.199207	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+DMSO+H"	79.021207
"1008538"	412.238376	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2ACN+H"	83.060376
"1525571"	413.232008	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+IsoProp+Na+H"	84.054008
"995309"	206.622826	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+2ACN+2H"	84.067652
"1594184"	414.146628	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+K+HCOOH"	84.968628
"1416565"	444.178138	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+H+CF3COOH"	115.000138
"1150497"	227.136101	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+3ACN+2H"	125.094202
"1699686"	461.204685	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+NH4+CF3COOH"	132.026685
"1647369"	466.16008	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+Na+CF3COOH"	136.98208
"1575369"	482.13402	"C19144"	"Trifenmorph;4-Tritylmorpholine"	"C23H23NO"	"329.178"	"M+K+CF3COOH"	152.95602
"805735"	362.1729	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M"	0
"974892"	343.15451	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"66417"	240.441324	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"507072"	361.165624	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"887062"	119.717024	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"3447"	361.165624	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"444103"	542.252074	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"820813"	180.079174	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"83357"	723.338524	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"525834"	1085.511424	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"903639"	361.165624	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"51816"	740.365071	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"489187"	1102.537971	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"868084"	378.192171	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"36352"	745.320466	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"481746"	1107.493366	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"850805"	383.147566	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1621432"	383.147566	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"109021"	379.153963	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"547973"	560.240413	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"938329"	198.067513	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"273967"	759.315202	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"663115"	1121.488102	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1279892"	397.142302	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"21354"	761.294406	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"460913"	1123.467306	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"838714"	399.121506	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1559285"	399.121506	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"947896"	407.171094	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"364289"	769.344001	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"348536"	783.359651	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1496640"	421.186751	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"965278"	429.153051	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"113093"	397.142302	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"551918"	578.228752	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1025092"	216.055852	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1245404"	441.091785	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1310040"	443.147772	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1325351"	465.129729	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"919693"	475.158486	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1291298"	511.135164	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1368731"	327.160224	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1386226"	345.1702	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"285912"	725.353076	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"678698"	1087.525976	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1353222"	363.180176	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"134495"	363.180176	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"572962"	544.266626	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1044313"	182.093726	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"216953"	242.455876	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"655784"	363.180176	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1175733"	121.731576	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"433905"	742.379623	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"793806"	1104.552523	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1683574"	380.206723	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"332945"	371.6934495	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"725728"	552.7798995	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1479193"	190.6069995	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"393249"	747.335018	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"754852"	1109.507918	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1603434"	385.162118	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"315912"	374.171147	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"707478"	555.257597	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1462149"	193.084697	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1053086"	129.05889	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1258534"	395.206386	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"379296"	763.308958	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"739564"	1125.481858	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1540397"	401.136058	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"301350"	382.158117	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"701433"	563.244567	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1458903"	201.071667	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"250911"	766.379626	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1225319"	404.206726	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1208962"	202.607001	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"203900"	769.31696	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"641630"	1131.48986	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1139666"	407.14406	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"181861"	385.162118	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"618141"	566.248568	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1122741"	204.075668	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1412584"	136.386204	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1441661"	409.185646	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"233542"	390.19514	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1523881"	423.23769	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"419103"	393.149088	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"779006"	574.235538	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1675344"	212.062638	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"256393"	788.361568	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1232382"	426.188668	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1719082"	426.212193	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1186620"	143.713518	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1658700"	431.167588	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"166654"	801.26484	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"605121"	1163.43774	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1091821"	439.09194	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"148638"	401.136058	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"588200"	582.222508	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1074900"	220.049608	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1102640"	441.106492	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1336592"	441.194107	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1009742"	445.233276	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1525923"	446.226908	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"994327"	223.120276	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1595387"	447.141528	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1417039"	477.173038	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1150243"	243.633551	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1698703"	494.199585	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1647479"	499.15498	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1575479"	515.12892	"C19145"	"Propyl isome;1234-Tetrahydro-3-methyl-67-methylenebisoxynaphthalene-12-dicarboxylic acid dipropyl"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"812407"	298.1416	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M"	0
"985939"	279.12321	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-H2O-H"	-19.01839
"68714"	197.753790666667	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M-3H"	-3.021828
"515932"	297.134324	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M-3H"	-3.021828
"887173"	98.3732573333333	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-3H"	-3.021828
"5745"	297.134324	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M-2H"	-2.014552
"446398"	446.205124	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M-2H"	-2.014552
"820554"	148.063524	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-2H"	-2.014552
"82374"	595.275924	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M-H"	-1.007276
"528133"	893.417524	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M-H"	-1.007276
"909217"	297.134324	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-H"	-1.007276
"59219"	612.302471	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M-2H+NH4"	16.019271
"493311"	910.444071	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M-2H+NH4"	16.019271
"867101"	314.160871	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-2H+NH4"	16.019271
"35734"	617.257866	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M-2H+Na"	20.974666
"482949"	915.399466	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M-2H+Na"	20.974666
"859660"	319.116266	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-2H+Na"	20.974666
"1621542"	319.116266	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Na-2H"	20.974666
"101352"	315.122663	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M-H+Cl"	33.962126
"547840"	464.193463	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M-H+Cl"	33.962126
"938804"	166.051863	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-H+Cl"	33.962126
"277358"	631.252602	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+Cl"	34.969402
"667598"	929.394202	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+Cl"	34.969402
"1282188"	333.111002	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Cl"	34.969402
"19275"	633.231806	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M-2H+K"	36.948606
"461023"	931.373406	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M-2H+K"	36.948606
"838095"	335.090206	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-2H+K"	36.948606
"1561218"	335.090206	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+K-2H"	36.948606
"947642"	343.139794	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-H+HCOOH"	44.998194
"368409"	641.281401	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+HCOOH-H"	44.998201
"351198"	655.297051	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+Hac-H"	59.013851
"1497843"	357.155451	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Hac-H"	59.013851
"962472"	365.121751	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-H+NaCOOH"	66.980151
"117576"	333.111002	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+2Cl"	69.938804
"552759"	482.181802	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+2Cl"	69.938804
"1027026"	184.040202	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2Cl"	69.938804
"1246608"	377.060485	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Br"	78.918885
"1311244"	379.116472	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Cl+HCOOH"	80.974872
"1325460"	401.098429	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Cl+NaCOOH"	102.956829
"919803"	411.127186	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M-H+CF3COOH"	112.985586
"1297604"	447.103864	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Cl+CF3COOH"	148.962264
"1373580"	263.128924	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H-2H2O"	-35.012676
"1389982"	281.1389	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H-H2O"	-17.0027
"287482"	597.290476	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+H"	1.007276
"678811"	895.432076	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+H"	1.007276
"1356615"	299.148876	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H"	1.007276
"132420"	299.148876	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+2H"	2.014552
"575259"	448.219676	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+2H"	2.014552
"1050255"	150.078076	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2H"	2.014552
"217427"	199.768342666667	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+3H"	3.021828
"656993"	299.148876	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+3H"	3.021828
"1175846"	100.387809333333	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+3H"	3.021828
"434012"	614.317023	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+NH4"	18.033823
"797196"	912.458623	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+NH4"	18.033823
"1694620"	316.175423	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+NH4"	18.033823
"339620"	307.6621495	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+H+NH4"	19.041099
"729853"	456.7329495	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+H+NH4"	19.041099
"1479303"	158.5913495	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H+NH4"	19.041099
"393971"	619.272418	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+Na"	22.989218
"757881"	917.414018	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+Na"	22.989218
"1604885"	321.130818	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Na"	22.989218
"315048"	310.139847	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+H+Na"	23.996494
"707708"	459.210647	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+H+Na"	23.996494
"1462381"	161.069047	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H+Na"	23.996494
"1053685"	107.715123333333	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2H+Na"	25.00377
"1259376"	331.175086	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+CH3OH+H"	33.033486
"379043"	635.246358	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+K"	38.963158
"740768"	933.387958	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+K"	38.963158
"1543182"	337.104758	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+K"	38.963158
"301092"	318.126817	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+H+K"	39.970434
"695342"	467.197617	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+H+K"	39.970434
"1457554"	169.056017	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H+K"	39.970434
"250169"	638.317026	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+ACN+H"	42.033826
"1223238"	340.175426	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+ACN+H"	42.033826
"1208586"	170.591351	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+ACN+2H"	43.041102
"203401"	641.25436	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+2Na-H"	44.97116
"642835"	939.39596	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+2Na-H"	44.97116
"1145978"	343.11276	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2Na-H"	44.97116
"181971"	321.130818	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+2Na"	45.978436
"619710"	470.201618	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+2Na"	45.978436
"1120663"	172.060018	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2Na"	45.978436
"1410750"	115.042437333333	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H+2Na"	46.985712
"1439586"	345.154346	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H+HCOOH"	47.012746
"232560"	326.16384	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+3H2O+2H"	56.04448
"1519528"	359.20639	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+IsoProp+H"	61.06479
"414843"	329.117788	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+Na+K"	61.952376
"776201"	478.188588	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+Na+K"	61.952376
"1675454"	180.046988	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Na+K"	61.952376
"257597"	660.298968	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+ACN+Na"	64.015768
"1230667"	362.157368	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+ACN+Na"	64.015768
"1720280"	362.180893	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+NH4+HCOOH"	64.039293
"1187822"	122.369751333333	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+3Na"	68.967654
"1659904"	367.136288	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Na+HCOOH"	68.994688
"168588"	673.20224	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+2K-H"	76.91904
"607055"	971.34384	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+2K-H"	76.91904
"1089743"	375.06064	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2K-H"	76.91904
"143401"	337.104758	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"2M+2K"	77.926316
"585030"	486.175558	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"3M+2K"	77.926316
"1069173"	188.033958	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2K"	77.926316
"1102751"	377.075192	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2K+H"	78.933592
"1336580"	377.162807	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+DMSO+H"	79.021207
"1006936"	381.201976	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2ACN+H"	83.060376
"1530172"	382.195608	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+IsoProp+Na+H"	84.054008
"998810"	191.104626	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+2ACN+2H"	84.067652
"1595497"	383.110228	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+K+HCOOH"	84.968628
"1422258"	413.141738	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+H+CF3COOH"	115.000138
"1154733"	211.617901	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+3ACN+2H"	125.094202
"1702096"	430.168285	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+NH4+CF3COOH"	132.026685
"1638841"	435.12368	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+Na+CF3COOH"	136.98208
"1575589"	451.09762	"C19146"	"Sesamex"	"C15H22O6"	"298.1416"	"M+K+CF3COOH"	152.95602
"809236"	324.1759	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M"	0
"982769"	305.15751	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-H2O-H"	-19.01839
"69919"	215.109990666667	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M-3H"	-3.021828
"514950"	323.168624	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M-3H"	-3.021828
"888378"	107.051357333333	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-3H"	-3.021828
"5857"	323.168624	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M-2H"	-2.014552
"448698"	485.256574	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M-2H"	-2.014552
"825405"	161.080674	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-2H"	-2.014552
"82120"	647.344524	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M-H"	-1.007276
"521316"	971.520424	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M-H"	-1.007276
"901669"	323.168624	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-H"	-1.007276
"51671"	664.371071	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M-2H+NH4"	16.019271
"491231"	988.546971	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M-2H+NH4"	16.019271
"866846"	340.195171	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-2H+NH4"	16.019271
"31827"	669.326466	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M-2H+Na"	20.974666
"473941"	993.502366	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M-2H+Na"	20.974666
"848819"	345.150566	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-2H+Na"	20.974666
"1630396"	345.150566	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Na-2H"	20.974666
"101462"	341.156963	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M-H+Cl"	33.962126
"548556"	503.244913	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M-H+Cl"	33.962126
"938912"	179.069013	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-H+Cl"	33.962126
"272001"	683.321202	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+Cl"	34.969402
"667708"	1007.497102	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+Cl"	34.969402
"1279018"	359.145302	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Cl"	34.969402
"20479"	685.300406	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M-2H+K"	36.948606
"464413"	1009.476306	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M-2H+K"	36.948606
"841121"	361.124506	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-2H+K"	36.948606
"1562423"	361.124506	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+K-2H"	36.948606
"945566"	369.174094	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-H+HCOOH"	44.998194
"366333"	693.350001	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+HCOOH-H"	44.998201
"348393"	707.365651	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+Hac-H"	59.013851
"1494672"	383.189751	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Hac-H"	59.013851
"961484"	391.156051	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-H+NaCOOH"	66.980151
"111484"	359.145302	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+2Cl"	69.938804
"550559"	521.233252	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+2Cl"	69.938804
"1023128"	197.057352	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2Cl"	69.938804
"1243799"	403.094785	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Br"	78.918885
"1311352"	405.150772	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Cl+HCOOH"	80.974872
"1321197"	427.132729	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Cl+NaCOOH"	102.956829
"919913"	437.161486	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M-H+CF3COOH"	112.985586
"1294434"	473.138164	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Cl+CF3COOH"	148.962264
"1373690"	289.163224	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H-2H2O"	-35.012676
"1390093"	307.1732	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H-H2O"	-17.0027
"287957"	649.359076	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+H"	1.007276
"678922"	973.534976	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+H"	1.007276
"1357455"	325.183176	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H"	1.007276
"129249"	325.183176	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+2H"	2.014552
"569177"	487.271126	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+2H"	2.014552
"1047450"	163.095226	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2H"	2.014552
"215353"	217.124542666667	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+3H"	3.021828
"656010"	325.183176	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+3H"	3.021828
"1171947"	109.065909333333	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+3H"	3.021828
"434124"	666.385623	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+NH4"	18.033823
"796212"	990.561523	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+NH4"	18.033823
"1694732"	342.209723	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+NH4"	18.033823
"339729"	333.6964495	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+H+NH4"	19.041099
"731056"	495.7843995	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+H+NH4"	19.041099
"1480507"	171.6084995	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H+NH4"	19.041099
"395906"	671.341018	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+Na"	22.989218
"756049"	995.516918	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+Na"	22.989218
"1606089"	347.165118	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Na"	22.989218
"314915"	336.174147	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+H+Na"	23.996494
"707577"	498.262097	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+H+Na"	23.996494
"1462370"	174.086197	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H+Na"	23.996494
"1054158"	116.393223333333	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2H+Na"	25.00377
"1258386"	357.209386	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+CH3OH+H"	33.033486
"378785"	687.314958	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+K"	38.963158
"740874"	1011.490858	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+K"	38.963158
"1540012"	363.139058	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+K"	38.963158
"298808"	344.161117	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+H+K"	39.970434
"692167"	506.249067	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+H+K"	39.970434
"1455478"	182.073167	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H+K"	39.970434
"249181"	690.385626	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+ACN+H"	42.033826
"1220064"	366.209726	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+ACN+H"	42.033826
"1207232"	183.608501	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+ACN+2H"	43.041102
"203020"	693.32296	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+2Na-H"	44.97116
"638570"	1017.49886	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+2Na-H"	44.97116
"1139885"	369.14706	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2Na-H"	44.97116
"179894"	347.165118	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+2Na"	45.978436
"618359"	509.253068	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+2Na"	45.978436
"1122959"	185.077168	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2Na"	45.978436
"1405390"	123.720537333333	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H+2Na"	46.985712
"1438601"	371.188646	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H+HCOOH"	47.012746
"229390"	352.19814	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+3H2O+2H"	56.04448
"1521824"	385.24069	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+IsoProp+H"	61.06479
"418229"	355.152088	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+Na+K"	61.952376
"778131"	517.240038	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+Na+K"	61.952376
"1674471"	193.064138	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Na+K"	61.952376
"256614"	712.367568	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+ACN+Na"	64.015768
"1228593"	388.191668	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+ACN+Na"	64.015768
"1716748"	388.215193	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+NH4+HCOOH"	64.039293
"1185747"	131.047851333333	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+3Na"	68.967654
"1658919"	393.170588	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Na+HCOOH"	68.994688
"168698"	725.27084	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+2K-H"	76.91904
"606436"	1049.44674	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+2K-H"	76.91904
"1087667"	401.09494	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2K-H"	76.91904
"146674"	363.139058	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"2M+2K"	77.926316
"585138"	525.227008	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"3M+2K"	77.926316
"1069650"	201.051108	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2K"	77.926316
"1106141"	403.109492	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2K+H"	78.933592
"1336450"	403.197107	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+DMSO+H"	79.021207
"1006192"	407.236276	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2ACN+H"	83.060376
"1530282"	408.229908	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+IsoProp+Na+H"	84.054008
"1001107"	204.121776	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+2ACN+2H"	84.067652
"1595607"	409.144528	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+K+HCOOH"	84.968628
"1424555"	439.176038	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+H+CF3COOH"	115.000138
"1154843"	224.635051	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+3ACN+2H"	125.094202
"1702206"	456.202585	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+NH4+CF3COOH"	132.026685
"1642231"	461.15798	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+Na+CF3COOH"	136.98208
"1575699"	477.13192	"C19147"	"Piperonyl sulfoxide"	"C18H28O3S"	"324.1759"	"M+K+CF3COOH"	152.95602
"809346"	345.9751	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M"	0
"982880"	326.95671	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-H2O-H"	-19.01839
"68936"	229.642790666667	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M-3H"	-3.021828
"508496"	344.967824	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M-3H"	-3.021828
"887393"	114.317757333333	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-3H"	-3.021828
"5967"	344.967824	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M-2H"	-2.014552
"448808"	517.955374	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M-2H"	-2.014552
"825515"	171.980274	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-2H"	-2.014552
"82230"	690.942924	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M-H"	-1.007276
"525073"	1036.918024	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M-H"	-1.007276
"902143"	344.967824	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-H"	-1.007276
"48496"	707.969471	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M-2H+NH4"	16.019271
"488789"	1053.944571	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M-2H+NH4"	16.019271
"866226"	361.994371	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-2H+NH4"	16.019271
"32541"	712.924866	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M-2H+Na"	20.974666
"472590"	1058.899966	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M-2H+Na"	20.974666
"850031"	366.949766	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-2H+Na"	20.974666
"1628320"	366.949766	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Na-2H"	20.974666
"109643"	362.956163	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M-H+Cl"	33.962126
"549038"	535.943713	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M-H+Cl"	33.962126
"939024"	189.968613	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-H+Cl"	33.962126
"279768"	726.919602	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+Cl"	34.969402
"670005"	1072.894702	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+Cl"	34.969402
"1281315"	380.944502	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Cl"	34.969402
"26056"	728.898806	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M-2H+K"	36.948606
"463430"	1074.873906	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M-2H+K"	36.948606
"836494"	382.923706	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-2H+K"	36.948606
"1559253"	382.923706	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+K-2H"	36.948606
"949323"	390.973294	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-H+HCOOH"	44.998194
"367539"	736.948401	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+HCOOH-H"	44.998201
"350328"	750.964051	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+Hac-H"	59.013851
"1498067"	404.988951	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Hac-H"	59.013851
"960138"	412.955251	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-H+NaCOOH"	66.980151
"110865"	380.944502	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+2Cl"	69.938804
"550793"	553.932052	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+2Cl"	69.938804
"1028342"	207.956952	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2Cl"	69.938804
"1241437"	424.893985	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Br"	78.918885
"1307088"	426.949972	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Cl+HCOOH"	80.974872
"1324589"	448.931929	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Cl+NaCOOH"	102.956829
"921119"	458.960686	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M-H+CF3COOH"	112.985586
"1298555"	494.937364	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Cl+CF3COOH"	148.962264
"1373799"	310.962424	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H-2H2O"	-35.012676
"1390203"	328.9724	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H-H2O"	-17.0027
"287703"	692.957476	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+H"	1.007276
"684500"	1038.932576	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+H"	1.007276
"1354285"	346.982376	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H"	1.007276
"132641"	346.982376	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+2H"	2.014552
"571109"	519.969926	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+2H"	2.014552
"1037963"	173.994826	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2H"	2.014552
"209996"	231.657342666667	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+3H"	3.021828
"652840"	346.982376	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+3H"	3.021828
"1174241"	116.332309333333	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+3H"	3.021828
"432048"	709.984023	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+NH4"	18.033823
"798509"	1055.959123	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+NH4"	18.033823
"1693748"	364.008923	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+NH4"	18.033823
"340933"	355.4956495	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+H+NH4"	19.041099
"735539"	528.4831995	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+H+NH4"	19.041099
"1480617"	182.5080995	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H+NH4"	19.041099
"393342"	714.939418	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+Na"	22.989218
"754620"	1060.914518	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+Na"	22.989218
"1603446"	368.964318	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Na"	22.989218
"314783"	357.973347	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+H+Na"	23.996494
"707443"	530.960897	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+H+Na"	23.996494
"1462478"	184.985797	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H+Na"	23.996494
"1055362"	123.659623333333	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2H+Na"	25.00377
"1258862"	379.008586	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+CH3OH+H"	33.033486
"379260"	730.913358	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+K"	38.963158
"740622"	1076.888458	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+K"	38.963158
"1540406"	384.938258	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+K"	38.963158
"299489"	365.960317	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+H+K"	39.970434
"694100"	538.947867	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+H+K"	39.970434
"1459963"	192.972767	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H+K"	39.970434
"249658"	733.984026	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+ACN+H"	42.033826
"1225446"	388.008926	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+ACN+H"	42.033826
"1206978"	194.508101	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+ACN+2H"	43.041102
"203495"	736.92136	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+2Na-H"	44.97116
"640867"	1082.89646	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+2Na-H"	44.97116
"1142185"	390.94626	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2Na-H"	44.97116
"180004"	368.964318	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+2Na"	45.978436
"618834"	541.951868	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+2Na"	45.978436
"1120884"	195.976768	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2Na"	45.978436
"1406595"	130.986937333333	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H+2Na"	46.985712
"1434337"	392.987846	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H+HCOOH"	47.012746
"230957"	373.99734	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+3H2O+2H"	56.04448
"1520115"	407.03989	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+IsoProp+H"	61.06479
"417246"	376.951288	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+Na+K"	61.952376
"774965"	549.938838	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+Na+K"	61.952376
"1674581"	203.963738	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Na+K"	61.952376
"257817"	755.965968	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+ACN+Na"	64.015768
"1230527"	409.990868	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+ACN+Na"	64.015768
"1717226"	410.014393	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+NH4+HCOOH"	64.039293
"1185856"	138.314251333333	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+3Na"	68.967654
"1656842"	414.969788	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Na+HCOOH"	68.994688
"166259"	768.86924	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+2K-H"	76.91904
"607643"	1114.84434	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+2K-H"	76.91904
"1085713"	422.89414	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2K-H"	76.91904
"143502"	384.938258	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"2M+2K"	77.926316
"587803"	557.925808	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"3M+2K"	77.926316
"1071948"	211.950708	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2K"	77.926316
"1107711"	424.908692	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2K+H"	78.933592
"1335688"	424.996307	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+DMSO+H"	79.021207
"1006791"	429.035476	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2ACN+H"	83.060376
"1528206"	430.029108	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+IsoProp+Na+H"	84.054008
"1001217"	215.021376	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+2ACN+2H"	84.067652
"1595717"	430.943728	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+K+HCOOH"	84.968628
"1424665"	460.975238	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+H+CF3COOH"	115.000138
"1156047"	235.534651	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+3ACN+2H"	125.094202
"1701223"	478.001785	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+NH4+CF3COOH"	132.026685
"1642341"	482.95718	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+Na+CF3COOH"	136.98208
"1575809"	498.93112	"C19148"	"S-Seven;O-Ethyl O-24-dichlorophenyl thionobenzenephosphonate;EPBP"	"C14H13Cl2O2PS"	"345.9751"	"M+K+CF3COOH"	152.95602
"802895"	349.8241	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M"	0
"974840"	330.80571	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-H2O-H"	-19.01839
"71232"	232.208790666667	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M-3H"	-3.021828
"509700"	348.816824	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M-3H"	-3.021828
"887503"	115.600757333333	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-3H"	-3.021828
"8264"	348.816824	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M-2H"	-2.014552
"447825"	523.728874	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M-2H"	-2.014552
"823439"	173.904774	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-2H"	-2.014552
"83797"	698.640924	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M-H"	-1.007276
"525183"	1048.465024	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M-H"	-1.007276
"901889"	348.816824	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-H"	-1.007276
"47509"	715.667471	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M-2H+NH4"	16.019271
"487595"	1065.491571	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M-2H+NH4"	16.019271
"866697"	365.843371	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-2H+NH4"	16.019271
"33016"	720.622866	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M-2H+Na"	20.974666
"472332"	1070.446966	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M-2H+Na"	20.974666
"849243"	370.798766	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-2H+Na"	20.974666
"1629523"	370.798766	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Na-2H"	20.974666
"99488"	366.805163	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M-H+Cl"	33.962126
"548054"	541.717213	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M-H+Cl"	33.962126
"938039"	191.893113	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-H+Cl"	33.962126
"276598"	734.617602	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+Cl"	34.969402
"665743"	1084.441702	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+Cl"	34.969402
"1282517"	384.793502	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Cl"	34.969402
"20698"	736.596806	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M-2H+K"	36.948606
"456855"	1086.420906	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M-2H+K"	36.948606
"834051"	386.772706	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-2H+K"	36.948606
"1555878"	386.772706	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+K-2H"	36.948606
"943070"	394.822294	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-H+HCOOH"	44.998194
"361440"	744.646401	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+HCOOH-H"	44.998201
"346666"	758.662051	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+Hac-H"	59.013851
"1492773"	408.837951	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Hac-H"	59.013851
"958704"	416.804251	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-H+NaCOOH"	66.980151
"110013"	384.793502	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+2Cl"	69.938804
"550244"	559.705552	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+2Cl"	69.938804
"1022291"	209.881452	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2Cl"	69.938804
"1241993"	428.742985	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Br"	78.918885
"1308290"	430.798972	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Cl+HCOOH"	80.974872
"1320927"	452.780929	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Cl+NaCOOH"	102.956829
"920132"	462.809686	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M-H+CF3COOH"	112.985586
"1295018"	498.786364	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Cl+CF3COOH"	148.962264
"1370628"	314.811424	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H-2H2O"	-35.012676
"1384479"	332.8214	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H-H2O"	-17.0027
"289999"	700.655476	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+H"	1.007276
"682420"	1050.479576	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+H"	1.007276
"1354398"	350.831376	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H"	1.007276
"130566"	350.831376	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+2H"	2.014552
"571219"	525.743426	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+2H"	2.014552
"1041113"	175.919326	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2H"	2.014552
"211200"	234.223342666667	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+3H"	3.021828
"646021"	350.831376	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+3H"	3.021828
"1168888"	117.615309333333	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+3H"	3.021828
"431064"	717.682023	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+NH4"	18.033823
"795339"	1067.506123	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+NH4"	18.033823
"1692761"	367.857923	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+NH4"	18.033823
"338852"	359.3446495	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+H+NH4"	19.041099
"731272"	534.2566995	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+H+NH4"	19.041099
"1481820"	184.4325995	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H+NH4"	19.041099
"396490"	722.637418	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+Na"	22.989218
"754605"	1072.461518	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+Na"	22.989218
"1602987"	372.813318	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Na"	22.989218
"315742"	361.822347	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+H+Na"	23.996494
"708772"	536.734397	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+H+Na"	23.996494
"1462470"	186.910297	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H+Na"	23.996494
"1055839"	124.942623333333	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2H+Na"	25.00377
"1259705"	382.857586	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+CH3OH+H"	33.033486
"378642"	738.611358	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+K"	38.963158
"740733"	1088.435458	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+K"	38.963158
"1541086"	388.787258	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+K"	38.963158
"299354"	369.809317	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+H+K"	39.970434
"695303"	544.721367	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+H+K"	39.970434
"1456793"	194.897267	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H+K"	39.970434
"248308"	741.682026	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+ACN+H"	42.033826
"1223204"	391.857926	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+ACN+H"	42.033826
"1207088"	196.432601	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+ACN+2H"	43.041102
"203363"	744.61936	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+2Na-H"	44.97116
"640978"	1094.44346	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+2Na-H"	44.97116
"1141201"	394.79526	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2Na-H"	44.97116
"178291"	372.813318	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+2Na"	45.978436
"618578"	547.725368	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+2Na"	45.978436
"1118441"	197.901268	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2Na"	45.978436
"1402693"	132.269937333333	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H+2Na"	46.985712
"1440282"	396.836846	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H+HCOOH"	47.012746
"229977"	377.84634	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+3H2O+2H"	56.04448
"1517671"	410.88889	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+IsoProp+H"	61.06479
"415170"	380.800288	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+Na+K"	61.952376
"773253"	555.712338	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+Na+K"	61.952376
"1676514"	205.888238	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Na+K"	61.952376
"255010"	763.663968	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+ACN+Na"	64.015768
"1230638"	413.839868	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+ACN+Na"	64.015768
"1716972"	413.863393	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+NH4+HCOOH"	64.039293
"1185602"	139.597251333333	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+3Na"	68.967654
"1655859"	418.818788	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Na+HCOOH"	68.994688
"166734"	776.56724	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+2K-H"	76.91904
"608483"	1126.39134	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+2K-H"	76.91904
"1085013"	426.74314	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2K-H"	76.91904
"144706"	388.787258	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"2M+2K"	77.926316
"586453"	563.699308	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"3M+2K"	77.926316
"1074247"	213.875208	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2K"	77.926316
"1105269"	428.757692	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2K+H"	78.933592
"1335977"	428.845307	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+DMSO+H"	79.021207
"1005800"	432.884476	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2ACN+H"	83.060376
"1527222"	433.878108	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+IsoProp+Na+H"	84.054008
"993670"	216.945876	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+2ACN+2H"	84.067652
"1591454"	434.792728	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+K+HCOOH"	84.968628
"1424775"	464.824238	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+H+CF3COOH"	115.000138
"1159437"	237.459151	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+3ACN+2H"	125.094202
"1701333"	481.850785	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+NH4+CF3COOH"	132.026685
"1642451"	486.80618	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+Na+CF3COOH"	136.98208
"1575919"	502.78012	"C19149"	"TCA-ethadyl"	"C6H4Cl6O4"	"349.8241"	"M+K+CF3COOH"	152.95602
"809566"	149.0333	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M"	0
"975807"	130.01491	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-H2O-H"	-19.01839
"78339"	98.3482573333333	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M-3H"	-3.021828
"515277"	148.026024	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M-3H"	-3.021828
"894173"	48.6704906666667	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-3H"	-3.021828
"13478"	148.026024	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M-2H"	-2.014552
"452310"	222.542674	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M-2H"	-2.014552
"831204"	73.509374	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-2H"	-2.014552
"85729"	297.059324	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M-H"	-1.007276
"528573"	446.092624	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M-H"	-1.007276
"902363"	148.026024	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-H"	-1.007276
"49448"	314.085871	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M-2H+NH4"	16.019271
"489369"	463.119171	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M-2H+NH4"	16.019271
"867170"	165.052571	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-2H+NH4"	16.019271
"33978"	319.041266	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M-2H+Na"	20.974666
"473658"	468.074566	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M-2H+Na"	20.974666
"850488"	170.007966	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-2H+Na"	20.974666
"1630726"	170.007966	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Na-2H"	20.974666
"99598"	166.014363	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M-H+Cl"	33.962126
"548041"	240.531013	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M-H+Cl"	33.962126
"938149"	91.497713	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-H+Cl"	33.962126
"270147"	333.036002	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+Cl"	34.969402
"668040"	482.069302	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+Cl"	34.969402
"1277161"	184.002702	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Cl"	34.969402
"24088"	335.015206	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M-2H+K"	36.948606
"464741"	484.048506	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M-2H+K"	36.948606
"837077"	185.981906	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-2H+K"	36.948606
"1559471"	185.981906	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+K-2H"	36.948606
"944437"	194.031494	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-H+HCOOH"	44.998194
"363746"	343.064801	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+HCOOH-H"	44.998201
"345891"	357.080451	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+Hac-H"	59.013851
"1493168"	208.047151	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Hac-H"	59.013851
"960357"	216.013451	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-H+NaCOOH"	66.980151
"110395"	184.002702	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+2Cl"	69.938804
"551372"	258.519352	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+2Cl"	69.938804
"1022238"	109.486052	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2Cl"	69.938804
"1244856"	227.952185	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Br"	78.918885
"1307307"	230.008172	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Cl+HCOOH"	80.974872
"1323706"	251.990129	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Cl+NaCOOH"	102.956829
"916962"	262.018886	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M-H+CF3COOH"	112.985586
"1294763"	297.995564	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Cl+CF3COOH"	148.962264
"1368914"	114.020624	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H-2H2O"	-35.012676
"1387504"	132.0306	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H-H2O"	-17.0027
"289014"	299.073876	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+H"	1.007276
"681436"	448.107176	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+H"	1.007276
"1355600"	150.040576	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H"	1.007276
"129581"	150.040576	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+2H"	2.014552
"571328"	224.557226	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+2H"	2.014552
"1041223"	75.523926	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2H"	2.014552
"210216"	100.362809333333	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+3H"	3.021828
"654152"	150.040576	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+3H"	3.021828
"1167904"	50.6850426666667	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+3H"	3.021828
"431174"	316.100423	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+NH4"	18.033823
"795083"	465.133723	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+NH4"	18.033823
"1689589"	167.067123	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+NH4"	18.033823
"338960"	158.5538495	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+H+NH4"	19.041099
"733206"	233.0704995	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+H+NH4"	19.041099
"1480837"	84.0371995	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H+NH4"	19.041099
"397330"	321.055818	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+Na"	22.989218
"758689"	470.089118	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+Na"	22.989218
"1603868"	172.022518	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Na"	22.989218
"318648"	161.031547	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+H+Na"	23.996494
"709975"	235.548197	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+H+Na"	23.996494
"1462458"	86.514897	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H+Na"	23.996494
"1055583"	58.0123566666667	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2H+Na"	25.00377
"1262001"	182.066786	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+CH3OH+H"	33.033486
"379481"	337.029758	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+K"	38.963158
"741572"	486.063058	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+K"	38.963158
"1540954"	187.996458	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+K"	38.963158
"300074"	169.018517	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+H+K"	39.970434
"695413"	243.535167	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+H+K"	39.970434
"1455802"	94.501867	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H+K"	39.970434
"247689"	340.100426	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+ACN+H"	42.033826
"1222585"	191.067126	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+ACN+H"	42.033826
"1206466"	96.037201	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+ACN+2H"	43.041102
"200435"	343.03776	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+2Na-H"	44.97116
"639992"	492.07106	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+2Na-H"	44.97116
"1142402"	194.00446	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2Na-H"	44.97116
"178400"	172.022518	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+2Na"	45.978436
"616500"	246.539168	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+2Na"	45.978436
"1120009"	97.505868	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2Na"	45.978436
"1402073"	65.3396706666667	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H+2Na"	46.985712
"1434557"	196.046046	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H+HCOOH"	47.012746
"225345"	177.05554	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+3H2O+2H"	56.04448
"1515594"	210.09809	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+IsoProp+H"	61.06479
"416372"	180.009488	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+Na+K"	61.952376
"773363"	254.526138	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+Na+K"	61.952376
"1674438"	105.492838	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Na+K"	61.952376
"255120"	362.082368	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+ACN+Na"	64.015768
"1229654"	213.049068	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+ACN+Na"	64.015768
"1715988"	213.072593	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+NH4+HCOOH"	64.039293
"1183890"	72.6669846666667	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+3Na"	68.967654
"1653783"	218.027988	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Na+HCOOH"	68.994688
"166842"	374.98564	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+2K-H"	76.91904
"607864"	524.01894	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+2K-H"	76.91904
"1091281"	225.95234	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2K-H"	76.91904
"143722"	187.996458	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"2M+2K"	77.926316
"591302"	262.513108	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"3M+2K"	77.926316
"1077637"	113.479808	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2K"	77.926316
"1107567"	227.966892	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2K+H"	78.933592
"1336412"	228.054507	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+DMSO+H"	79.021207
"1007615"	232.093676	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2ACN+H"	83.060376
"1527332"	233.087308	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+IsoProp+Na+H"	84.054008
"993780"	116.550476	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+2ACN+2H"	84.067652
"1591564"	234.001928	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+K+HCOOH"	84.968628
"1424885"	264.033438	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+H+CF3COOH"	115.000138
"1156266"	137.063751	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+3ACN+2H"	125.094202
"1700350"	281.059985	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+NH4+CF3COOH"	132.026685
"1642561"	286.01538	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+Na+CF3COOH"	136.98208
"1576029"	301.98932	"C19150"	"Diethyldithiocarbamic acid"	"C5H11NS2"	"149.0333"	"M+K+CF3COOH"	152.95602
"812956"	902.2219	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M"	0
"974263"	883.20351	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-H2O-H"	-19.01839
"78016"	600.473990666667	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M-3H"	-3.021828
"514293"	901.214624	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M-3H"	-3.021828
"893920"	299.733357333333	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-3H"	-3.021828
"12860"	901.214624	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M-2H"	-2.014552
"453513"	1352.325574	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M-2H"	-2.014552
"826939"	450.103674	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-2H"	-2.014552
"84747"	1803.436524	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M-H"	-1.007276
"528683"	2705.658424	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M-H"	-1.007276
"902109"	901.214624	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-H"	-1.007276
"51018"	1820.463071	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M-2H+NH4"	16.019271
"488385"	2722.684971	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M-2H+NH4"	16.019271
"865824"	918.241171	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-2H+NH4"	16.019271
"33113"	1825.418466	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M-2H+Na"	20.974666
"473645"	2727.640366	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M-2H+Na"	20.974666
"850114"	923.196566	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-2H+Na"	20.974666
"1630836"	923.196566	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Na-2H"	20.974666
"100801"	919.202963	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M-H+Cl"	33.962126
"548151"	1370.313913	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M-H+Cl"	33.962126
"939352"	468.092013	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-H+Cl"	33.962126
"275724"	1839.413202	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+Cl"	34.969402
"670338"	2741.635102	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+Cl"	34.969402
"1280552"	937.191302	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Cl"	34.969402
"24198"	1841.392406	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M-2H+K"	36.948606
"463759"	2743.614306	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M-2H+K"	36.948606
"840466"	939.170506	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-2H+K"	36.948606
"1562861"	939.170506	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+K-2H"	36.948606
"946370"	947.220094	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-H+HCOOH"	44.998194
"363856"	1849.442001	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+HCOOH-H"	44.998201
"345820"	1863.457651	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+Hac-H"	59.013851
"1492809"	961.235751	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Hac-H"	59.013851
"960831"	969.202051	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-H+NaCOOH"	66.980151
"110587"	937.191302	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+2Cl"	69.938804
"551118"	1388.302252	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+2Cl"	69.938804
"1022107"	486.080352	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2Cl"	69.938804
"1244966"	981.140785	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Br"	78.918885
"1305230"	983.196772	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Cl+HCOOH"	80.974872
"1323086"	1005.178729	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Cl+NaCOOH"	102.956829
"913060"	1015.207486	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M-H+CF3COOH"	112.985586
"1288874"	1051.184164	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Cl+CF3COOH"	148.962264
"1367088"	867.209224	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H-2H2O"	-35.012676
"1386155"	885.2192	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H-H2O"	-17.0027
"291311"	1805.451076	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+H"	1.007276
"679358"	2707.672976	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+H"	1.007276
"1353521"	903.229176	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H"	1.007276
"127866"	903.229176	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+2H"	2.014552
"570345"	1354.340126	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+2H"	2.014552
"1041333"	452.118226	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2H"	2.014552
"210326"	602.488542666667	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+3H"	3.021828
"648793"	903.229176	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+3H"	3.021828
"1168012"	301.747909333333	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+3H"	3.021828
"429097"	1822.477623	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+NH4"	18.033823
"793370"	2724.699523	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+NH4"	18.033823
"1687513"	920.255723	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+NH4"	18.033823
"334699"	911.7424495	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+H+NH4"	19.041099
"731494"	1362.8533995	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+H+NH4"	19.041099
"1477541"	460.6314995	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H+NH4"	19.041099
"394159"	1827.433018	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+Na"	22.989218
"754238"	2729.654918	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+Na"	22.989218
"1602964"	925.211118	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Na"	22.989218
"315478"	914.220147	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+H+Na"	23.996494
"707896"	1365.331097	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+H+Na"	23.996494
"1461585"	463.109197	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H+Na"	23.996494
"1057152"	309.075223333333	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2H+Na"	25.00377
"1258830"	935.255386	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+CH3OH+H"	33.033486
"377767"	1843.406958	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+K"	38.963158
"740223"	2745.628858	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+K"	38.963158
"1540333"	941.185058	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+K"	38.963158
"299211"	922.207117	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+H+K"	39.970434
"694431"	1373.318067	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+H+K"	39.970434
"1451899"	471.096167	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H+K"	39.970434
"245608"	1846.477626	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+ACN+H"	42.033826
"1220504"	944.255726	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+ACN+H"	42.033826
"1202200"	472.631501	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+ACN+2H"	43.041102
"201638"	1849.41496	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+2Na-H"	44.97116
"642288"	2751.63686	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+2Na-H"	44.97116
"1140325"	947.19306	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2Na-H"	44.97116
"176323"	925.211118	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+2Na"	45.978436
"615881"	1376.322068	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+2Na"	45.978436
"1116716"	474.100168	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2Na"	45.978436
"1401088"	316.402537333333	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H+2Na"	46.985712
"1433938"	949.234646	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H+HCOOH"	47.012746
"224362"	930.24414	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+3H2O+2H"	56.04448
"1512424"	963.28669	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+IsoProp+H"	61.06479
"412111"	933.198088	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+Na+K"	61.952376
"772744"	1384.309038	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+Na+K"	61.952376
"1674912"	482.087138	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Na+K"	61.952376
"254137"	1868.459568	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+ACN+Na"	64.015768
"1229400"	966.237668	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+ACN+Na"	64.015768
"1716827"	966.261193	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+NH4+HCOOH"	64.039293
"1181814"	323.729851333333	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+3Na"	68.967654
"1653893"	971.216588	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Na+HCOOH"	68.994688
"169504"	1881.36284	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+2K-H"	76.91904
"610159"	2783.58474	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+2K-H"	76.91904
"1092485"	979.14094	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2K-H"	76.91904
"143833"	941.185058	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"2M+2K"	77.926316
"588862"	1392.296008	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"3M+2K"	77.926316
"1075561"	490.074108	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2K"	77.926316
"1106584"	981.155492	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2K+H"	78.933592
"1336401"	981.243107	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+DMSO+H"	79.021207
"1008212"	985.282276	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2ACN+H"	83.060376
"1528535"	986.275908	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+IsoProp+Na+H"	84.054008
"993892"	493.144776	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+2ACN+2H"	84.067652
"1590581"	987.190528	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+K+HCOOH"	84.968628
"1423902"	1017.222038	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+H+CF3COOH"	115.000138
"1148721"	513.658051	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+3ACN+2H"	125.094202
"1700460"	1034.248585	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+NH4+CF3COOH"	132.026685
"1641578"	1039.20398	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+Na+CF3COOH"	136.98208
"1576139"	1055.17792	"C19151"	"Coenzyme F420-3"	"C34H43N6O21P"	"902.2219"	"M+K+CF3COOH"	152.95602
"803225"	644.1367	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M"	0
"974410"	625.11831	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-H2O-H"	-19.01839
"75937"	428.417190666667	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M-3H"	-3.021828
"512216"	643.129424	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M-3H"	-3.021828
"894030"	213.704957333333	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-3H"	-3.021828
"14791"	643.129424	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M-2H"	-2.014552
"449250"	965.197774	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M-2H"	-2.014552
"823769"	321.061074	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-2H"	-2.014552
"89229"	1287.266124	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M-H"	-1.007276
"525511"	1931.402824	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M-H"	-1.007276
"904406"	643.129424	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-H"	-1.007276
"55501"	1304.292671	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M-2H+NH4"	16.019271
"492874"	1948.429371	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M-2H+NH4"	16.019271
"865570"	660.155971	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-2H+NH4"	16.019271
"32497"	1309.248066	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M-2H+Na"	20.974666
"472785"	1953.384766	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M-2H+Na"	20.974666
"849251"	665.111366	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-2H+Na"	20.974666
"1632039"	665.111366	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Na-2H"	20.974666
"103098"	661.117763	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M-H+Cl"	33.962126
"542662"	983.186113	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M-H+Cl"	33.962126
"939098"	339.049413	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-H+Cl"	33.962126
"274741"	1323.242802	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+Cl"	34.969402
"664979"	1967.379502	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+Cl"	34.969402
"1279567"	679.106102	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Cl"	34.969402
"24308"	1325.222006	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M-2H+K"	36.948606
"463869"	1969.358706	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M-2H+K"	36.948606
"841669"	681.085306	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-2H+K"	36.948606
"1560785"	681.085306	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+K-2H"	36.948606
"948667"	689.134894	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-H+HCOOH"	44.998194
"361899"	1333.271601	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+HCOOH-H"	44.998201
"345978"	1347.287251	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+Hac-H"	59.013851
"1493187"	703.150551	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Hac-H"	59.013851
"960213"	711.116851	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-H+NaCOOH"	66.980151
"112033"	679.106102	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+2Cl"	69.938804
"550377"	1001.174452	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+2Cl"	69.938804
"1021853"	357.037752	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2Cl"	69.938804
"1241919"	723.055585	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Br"	78.918885
"1304321"	725.111572	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Cl+HCOOH"	80.974872
"1322833"	747.093529	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Cl+NaCOOH"	102.956829
"911463"	757.122286	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M-H+CF3COOH"	112.985586
"1289875"	793.098964	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Cl+CF3COOH"	148.962264
"1367042"	609.124024	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H-2H2O"	-35.012676
"1387358"	627.134	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H-H2O"	-17.0027
"288141"	1289.280676	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+H"	1.007276
"683842"	1933.417376	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+H"	1.007276
"1359099"	645.143976	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H"	1.007276
"127612"	645.143976	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+2H"	2.014552
"570455"	967.212326	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+2H"	2.014552
"1039256"	323.075626	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2H"	2.014552
"211529"	430.431742666667	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+3H"	3.021828
"648903"	645.143976	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+3H"	3.021828
"1165569"	215.719509333333	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+3H"	3.021828
"430300"	1306.307223	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+NH4"	18.033823
"793480"	1950.443923	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+NH4"	18.033823
"1684345"	662.170523	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+NH4"	18.033823
"335902"	653.6572495	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+H+NH4"	19.041099
"730511"	975.7255995	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+H+NH4"	19.041099
"1478869"	331.5888995	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H+NH4"	19.041099
"393172"	1311.262618	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+Na"	22.989218
"760732"	1955.399318	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+Na"	22.989218
"1604456"	667.125918	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Na"	22.989218
"315588"	656.134947	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+H+Na"	23.996494
"707102"	978.203297	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+H+Na"	23.996494
"1461379"	334.066597	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H+Na"	23.996494
"1057262"	223.046823333333	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2H+Na"	25.00377
"1258939"	677.170186	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+CH3OH+H"	33.033486
"377350"	1327.236558	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+K"	38.963158
"740333"	1971.373258	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+K"	38.963158
"1539925"	683.099858	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+K"	38.963158
"301022"	664.121917	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+H+K"	39.970434
"694905"	986.190267	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+H+K"	39.970434
"1452738"	342.053567	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H+K"	39.970434
"245718"	1330.307226	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+ACN+H"	42.033826
"1220614"	686.170526	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+ACN+H"	42.033826
"1202310"	343.588901	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+ACN+2H"	43.041102
"201017"	1333.24456	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+2Na-H"	44.97116
"641306"	1977.38126	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+2Na-H"	44.97116
"1137155"	689.10786	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2Na-H"	44.97116
"175583"	667.125918	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+2Na"	45.978436
"615626"	989.194268	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+2Na"	45.978436
"1116581"	345.057568	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2Na"	45.978436
"1401562"	230.374137333333	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H+2Na"	46.985712
"1433314"	691.149446	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H+HCOOH"	47.012746
"224472"	672.15894	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+3H2O+2H"	56.04448
"1514720"	705.20149	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+IsoProp+H"	61.06479
"412221"	675.112888	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+Na+K"	61.952376
"771758"	997.181238	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+Na+K"	61.952376
"1668090"	353.044538	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Na+K"	61.952376
"253519"	1352.289168	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+ACN+Na"	64.015768
"1229509"	708.152468	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+ACN+Na"	64.015768
"1715115"	708.175993	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+NH4+HCOOH"	64.039293
"1181924"	237.701451333333	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+3Na"	68.967654
"1655098"	713.131388	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Na+HCOOH"	68.994688
"165239"	1365.19244	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+2K-H"	76.91904
"603707"	2009.32914	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+2K-H"	76.91904
"1091500"	721.05574	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2K-H"	76.91904
"141589"	683.099858	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"2M+2K"	77.926316
"590064"	1005.168208	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"3M+2K"	77.926316
"1074576"	361.031508	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2K"	77.926316
"1103415"	723.070292	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2K+H"	78.933592
"1335644"	723.157907	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+DMSO+H"	79.021207
"1008323"	727.197076	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2ACN+H"	83.060376
"1528645"	728.190708	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+IsoProp+Na+H"	84.054008
"994002"	364.102176	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+2ACN+2H"	84.067652
"1589598"	729.105328	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+K+HCOOH"	84.968628
"1424012"	759.136838	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+H+CF3COOH"	115.000138
"1148831"	384.615451	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+3ACN+2H"	125.094202
"1701663"	776.163385	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+NH4+CF3COOH"	132.026685
"1637313"	781.11878	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+Na+CF3COOH"	136.98208
"1586090"	797.09272	"C19152"	"Coenzyme F420-1"	"C24H29N4O15P"	"644.1367"	"M+K+CF3COOH"	152.95602
"804428"	515.0941	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M"	0
"974675"	496.07571	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-H2O-H"	-19.01839
"76047"	342.388790666667	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M-3H"	-3.021828
"512326"	514.086824	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M-3H"	-3.021828
"892318"	170.690757333333	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-3H"	-3.021828
"14172"	514.086824	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M-2H"	-2.014552
"451546"	771.633874	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M-2H"	-2.014552
"824972"	256.539774	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-2H"	-2.014552
"88246"	1029.180924	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M-H"	-1.007276
"524528"	1544.275024	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M-H"	-1.007276
"902330"	514.086824	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-H"	-1.007276
"54518"	1046.207471	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M-2H+NH4"	16.019271
"492984"	1561.301571	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M-2H+NH4"	16.019271
"866408"	531.113371	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-2H+NH4"	16.019271
"32850"	1051.162866	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M-2H+Na"	20.974666
"473869"	1566.256966	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M-2H+Na"	20.974666
"849478"	536.068766	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-2H+Na"	20.974666
"1628869"	536.068766	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Na-2H"	20.974666
"98836"	532.075163	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M-H+Cl"	33.962126
"542772"	789.622213	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M-H+Cl"	33.962126
"939572"	274.528113	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-H+Cl"	33.962126
"273758"	1065.157602	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+Cl"	34.969402
"665089"	1580.251702	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+Cl"	34.969402
"1278584"	550.063502	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Cl"	34.969402
"23325"	1067.136806	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M-2H+K"	36.948606
"463979"	1582.230906	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M-2H+K"	36.948606
"840686"	552.042706	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-2H+K"	36.948606
"1559802"	552.042706	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+K-2H"	36.948606
"945497"	560.092294	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-H+HCOOH"	44.998194
"363345"	1075.186401	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+HCOOH-H"	44.998201
"345763"	1089.202051	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+Hac-H"	59.013851
"1492936"	574.107951	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Hac-H"	59.013851
"960323"	582.074251	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-H+NaCOOH"	66.980151
"112146"	550.063502	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+2Cl"	69.938804
"550286"	807.610552	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+2Cl"	69.938804
"1021600"	292.516452	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2Cl"	69.938804
"1242030"	594.012985	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Br"	78.918885
"1307638"	596.068972	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Cl+HCOOH"	80.974872
"1319899"	618.050929	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Cl+NaCOOH"	102.956829
"911654"	628.079686	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M-H+CF3COOH"	112.985586
"1288971"	664.056364	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Cl+CF3COOH"	148.962264
"1368512"	480.081424	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H-2H2O"	-35.012676
"1389656"	498.0914	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H-H2O"	-17.0027
"286428"	1031.195476	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+H"	1.007276
"687233"	1546.289576	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+H"	1.007276
"1360302"	516.101376	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H"	1.007276
"127724"	516.101376	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+2H"	2.014552
"571659"	773.648426	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+2H"	2.014552
"1040459"	258.554326	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2H"	2.014552
"213462"	344.403342666667	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+3H"	3.021828
"650107"	516.101376	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+3H"	3.021828
"1166406"	172.705309333333	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+3H"	3.021828
"432600"	1048.222023	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+NH4"	18.033823
"795777"	1563.316123	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+NH4"	18.033823
"1688829"	533.127923	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+NH4"	18.033823
"340385"	524.6146495	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+H+NH4"	19.041099
"729528"	782.1616995	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+H+NH4"	19.041099
"1478979"	267.0675995	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H+NH4"	19.041099
"393484"	1053.177418	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+Na"	22.989218
"757563"	1568.271518	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+Na"	22.989218
"1603107"	538.083318	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Na"	22.989218
"316790"	527.092347	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+H+Na"	23.996494
"707380"	784.639397	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+H+Na"	23.996494
"1462052"	269.545297	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H+Na"	23.996494
"1053239"	180.032623333333	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2H+Na"	25.00377
"1257543"	548.127586	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+CH3OH+H"	33.033486
"377289"	1069.151358	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+K"	38.963158
"738544"	1584.245458	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+K"	38.963158
"1540019"	554.057258	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+K"	38.963158
"298946"	535.079317	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+H+K"	39.970434
"693559"	792.626367	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+H+K"	39.970434
"1450662"	277.532267	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H+K"	39.970434
"246921"	1072.222026	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+ACN+H"	42.033826
"1220724"	557.127926	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+ACN+H"	42.033826
"1202420"	279.067601	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+ACN+2H"	43.041102
"200398"	1075.15936	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+2Na-H"	44.97116
"642509"	1590.25346	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+2Na-H"	44.97116
"1137265"	560.06526	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2Na-H"	44.97116
"173625"	538.083318	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+2Na"	45.978436
"613914"	795.630368	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+2Na"	45.978436
"1116327"	280.536268	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2Na"	45.978436
"1400214"	187.359937333333	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H+2Na"	46.985712
"1432332"	562.106846	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H+HCOOH"	47.012746
"223489"	543.11634	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+3H2O+2H"	56.04448
"1515923"	576.15889	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+IsoProp+H"	61.06479
"413424"	546.070288	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+Na+K"	61.952376
"771503"	803.617338	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+Na+K"	61.952376
"1667471"	288.523238	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Na+K"	61.952376
"253629"	1094.203968	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+ACN+Na"	64.015768
"1227431"	579.109868	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+ACN+Na"	64.015768
"1714496"	579.133393	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+NH4+HCOOH"	64.039293
"1181303"	194.687251333333	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+3Na"	68.967654
"1655208"	584.088788	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Na+HCOOH"	68.994688
"165350"	1107.10724	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+2K-H"	76.91904
"608191"	1622.20134	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+2K-H"	76.91904
"1094890"	592.01314	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2K-H"	76.91904
"152801"	554.057258	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"2M+2K"	77.926316
"589083"	811.604308	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"3M+2K"	77.926316
"1075782"	296.510208	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2K"	77.926316
"1105709"	594.027692	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2K+H"	78.933592
"1336992"	594.115307	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+DMSO+H"	79.021207
"1007340"	598.154476	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2ACN+H"	83.060376
"1524739"	599.148108	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+IsoProp+Na+H"	84.054008
"993016"	299.580876	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+2ACN+2H"	84.067652
"1592988"	600.062728	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+K+HCOOH"	84.968628
"1420839"	630.094238	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+H+CF3COOH"	115.000138
"1152221"	320.094151	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+3ACN+2H"	125.094202
"1701773"	647.120785	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+NH4+CF3COOH"	132.026685
"1641798"	652.07618	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+Na+CF3COOH"	136.98208
"1582920"	668.05012	"C19153"	"Coenzyme F420-0"	"C19H22N3O12P"	"515.0941"	"M+K+CF3COOH"	152.95602
"803445"	363.1067	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M"	0
"975883"	344.08831	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-H2O-H"	-19.01839
"75793"	241.063857333333	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M-3H"	-3.021828
"510250"	362.099424	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M-3H"	-3.021828
"893158"	120.028290666667	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-3H"	-3.021828
"13190"	362.099424	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M-2H"	-2.014552
"454937"	543.652774	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M-2H"	-2.014552
"829458"	180.546074	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-2H"	-2.014552
"90543"	725.206124	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M-H"	-1.007276
"527921"	1088.312824	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M-H"	-1.007276
"900255"	362.099424	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-H"	-1.007276
"51350"	742.232671	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M-2H+NH4"	16.019271
"490907"	1105.339371	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M-2H+NH4"	16.019271
"866885"	379.125971	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-2H+NH4"	16.019271
"33328"	747.188066	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M-2H+Na"	20.974666
"473616"	1110.294766	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M-2H+Na"	20.974666
"849227"	384.081366	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-2H+Na"	20.974666
"1631531"	384.081366	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Na-2H"	20.974666
"98946"	380.087763	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M-H+Cl"	33.962126
"542882"	561.641113	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M-H+Cl"	33.962126
"939682"	198.534413	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-H+Cl"	33.962126
"273868"	761.182802	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+Cl"	34.969402
"665199"	1124.289502	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+Cl"	34.969402
"1280881"	398.076102	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Cl"	34.969402
"23435"	763.162006	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M-2H+K"	36.948606
"462996"	1126.268706	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M-2H+K"	36.948606
"838610"	400.055306	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-2H+K"	36.948606
"1558819"	400.055306	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+K-2H"	36.948606
"944877"	408.104894	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-H+HCOOH"	44.998194
"361636"	771.211601	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+HCOOH-H"	44.998201
"345955"	785.227251	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+Hac-H"	59.013851
"1493370"	422.120551	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Hac-H"	59.013851
"960797"	430.086851	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-H+NaCOOH"	66.980151
"111891"	398.076102	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+2Cl"	69.938804
"550354"	579.629452	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+2Cl"	69.938804
"1022802"	216.522752	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2Cl"	69.938804
"1242746"	442.025585	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Br"	78.918885
"1306655"	444.081572	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Cl+HCOOH"	80.974872
"1320257"	466.063529	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Cl+NaCOOH"	102.956829
"912660"	476.092286	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M-H+CF3COOH"	112.985586
"1289001"	512.068964	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Cl+CF3COOH"	148.962264
"1372270"	328.094024	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H-2H2O"	-35.012676
"1389769"	346.104	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H-H2O"	-17.0027
"292736"	727.220676	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+H"	1.007276
"686250"	1090.327376	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+H"	1.007276
"1361506"	364.113976	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H"	1.007276
"127591"	364.113976	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+2H"	2.014552
"571769"	545.667326	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+2H"	2.014552
"1038867"	182.560626	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2H"	2.014552
"213936"	243.078409333333	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+3H"	3.021828
"654589"	364.113976	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+3H"	3.021828
"1174900"	122.042842666667	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+3H"	3.021828
"433800"	744.247223	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+NH4"	18.033823
"799168"	1107.353923	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+NH4"	18.033823
"1688940"	381.140523	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+NH4"	18.033823
"339403"	372.6272495	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+H+NH4"	19.041099
"734011"	554.1805995	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+H+NH4"	19.041099
"1477746"	191.0738995	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H+NH4"	19.041099
"394486"	749.202618	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+Na"	22.989218
"758403"	1112.309318	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+Na"	22.989218
"1605407"	386.095918	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Na"	22.989218
"317993"	375.104947	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+H+Na"	23.996494
"707859"	556.658297	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+H+Na"	23.996494
"1462282"	193.551597	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H+Na"	23.996494
"1053593"	129.370156666667	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2H+Na"	25.00377
"1257579"	396.140186	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+CH3OH+H"	33.033486
"378336"	765.176558	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+K"	38.963158
"741648"	1128.283258	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+K"	38.963158
"1539997"	402.069858	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+K"	38.963158
"301242"	383.091917	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+H+K"	39.970434
"691846"	564.645267	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+H+K"	39.970434
"1448585"	201.538567	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H+K"	39.970434
"244844"	768.247226	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+ACN+H"	42.033826
"1223021"	405.140526	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+ACN+H"	42.033826
"1202530"	203.073901	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+ACN+2H"	43.041102
"201965"	771.18456	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+2Na-H"	44.97116
"638246"	1134.29126	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+2Na-H"	44.97116
"1140657"	408.07786	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2Na-H"	44.97116
"180663"	386.095918	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+2Na"	45.978436
"618036"	567.649268	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+2Na"	45.978436
"1120450"	204.542568	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2Na"	45.978436
"1400084"	136.697470666667	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H+2Na"	46.985712
"1431716"	410.119446	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H+HCOOH"	47.012746
"232347"	391.12894	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+3H2O+2H"	56.04448
"1516035"	424.17149	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+IsoProp+H"	61.06479
"412441"	394.082888	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+Na+K"	61.952376
"771250"	575.636238	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+Na+K"	61.952376
"1667583"	212.529538	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Na+K"	61.952376
"258473"	790.229168	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+ACN+Na"	64.015768
"1226245"	427.122468	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+ACN+Na"	64.015768
"1713268"	427.145993	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+NH4+HCOOH"	64.039293
"1183237"	144.024784666667	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+3Na"	68.967654
"1652037"	432.101388	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Na+HCOOH"	68.994688
"169471"	803.13244	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+2K-H"	76.91904
"610489"	1166.23914	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+2K-H"	76.91904
"1095001"	440.02574	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2K-H"	76.91904
"154005"	402.069858	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"2M+2K"	77.926316
"590286"	583.623208	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"3M+2K"	77.926316
"1080996"	220.516508	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2K"	77.926316
"1111291"	442.040292	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2K+H"	78.933592
"1344391"	442.127907	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+DMSO+H"	79.021207
"1009636"	446.167076	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2ACN+H"	83.060376
"1525702"	447.160708	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+IsoProp+Na+H"	84.054008
"993125"	223.587176	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+2ACN+2H"	84.067652
"1589087"	448.075328	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+K+HCOOH"	84.968628
"1415481"	478.106838	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+H+CF3COOH"	115.000138
"1156706"	244.100451	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+3ACN+2H"	125.094202
"1701883"	495.133385	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+NH4+CF3COOH"	132.026685
"1641908"	500.08878	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+Na+CF3COOH"	136.98208
"1583030"	516.06272	"C19154"	"78-Didemethyl-8-hydroxy-5-deazariboflavin"	"C16H17N3O7"	"363.1067"	"M+K+CF3COOH"	152.95602
"806835"	515.0455	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M"	0
"975622"	496.02711	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-H2O-H"	-19.01839
"72987"	342.356390666667	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M-3H"	-3.021828
"508171"	514.038224	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M-3H"	-3.021828
"895458"	170.674557333333	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-3H"	-3.021828
"15123"	514.038224	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M-2H"	-2.014552
"453588"	771.560974	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M-2H"	-2.014552
"831270"	256.515474	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-2H"	-2.014552
"91746"	1029.083724	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M-H"	-1.007276
"531310"	1544.129224	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M-H"	-1.007276
"904739"	514.038224	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-H"	-1.007276
"50366"	1046.110271	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M-2H+NH4"	16.019271
"497576"	1561.155771	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M-2H+NH4"	16.019271
"867721"	531.064771	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-2H+NH4"	16.019271
"36718"	1051.065666	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M-2H+Na"	20.974666
"472873"	1566.111166	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M-2H+Na"	20.974666
"850428"	536.020166	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-2H+Na"	20.974666
"1631884"	536.020166	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Na-2H"	20.974666
"99056"	532.026563	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M-H+Cl"	33.962126
"542992"	789.549313	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M-H+Cl"	33.962126
"939792"	274.503813	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-H+Cl"	33.962126
"279081"	1065.060402	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+Cl"	34.969402
"670773"	1580.105902	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+Cl"	34.969402
"1279898"	550.014902	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Cl"	34.969402
"20266"	1067.039606	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M-2H+K"	36.948606
"462011"	1582.085106	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M-2H+K"	36.948606
"836898"	551.994106	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-2H+K"	36.948606
"1556374"	551.994106	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+K-2H"	36.948606
"943041"	560.043694	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-H+HCOOH"	44.998194
"362101"	1075.089201	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+HCOOH-H"	44.998201
"346223"	1089.104851	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+Hac-H"	59.013851
"1493724"	574.059351	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Hac-H"	59.013851
"960904"	582.025651	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-H+NaCOOH"	66.980151
"112362"	550.014902	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+2Cl"	69.938804
"551556"	807.537652	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+2Cl"	69.938804
"1023635"	292.492152	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2Cl"	69.938804
"1242246"	593.964385	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Br"	78.918885
"1306034"	596.020372	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Cl+HCOOH"	80.974872
"1319962"	618.002329	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Cl+NaCOOH"	102.956829
"912040"	628.031086	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M-H+CF3COOH"	112.985586
"1289113"	664.007764	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Cl+CF3COOH"	148.962264
"1370192"	480.032824	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H-2H2O"	-35.012676
"1389876"	498.0428	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H-H2O"	-17.0027
"285918"	1031.098276	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+H"	1.007276
"684174"	1546.143776	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+H"	1.007276
"1355421"	516.052776	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H"	1.007276
"126849"	516.052776	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+2H"	2.014552
"571876"	773.575526	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+2H"	2.014552
"1040675"	258.530026	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2H"	2.014552
"208577"	344.370942666667	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+3H"	3.021828
"651417"	516.052776	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+3H"	3.021828
"1170637"	172.689109333333	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+3H"	3.021828
"430629"	1048.124823	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+NH4"	18.033823
"794905"	1563.170323	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+NH4"	18.033823
"1692330"	533.079323	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+NH4"	18.033823
"338419"	524.5660495	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+H+NH4"	19.041099
"733027"	782.0887995	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+H+NH4"	19.041099
"1477737"	267.0432995	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H+NH4"	19.041099
"393008"	1053.080218	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+Na"	22.989218
"758146"	1568.125718	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+Na"	22.989218
"1605879"	538.034718	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Na"	22.989218
"315918"	527.043747	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+H+Na"	23.996494
"708092"	784.566497	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+H+Na"	23.996494
"1461912"	269.520997	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H+Na"	23.996494
"1053091"	180.016423333333	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2H+Na"	25.00377
"1257200"	548.078986	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+CH3OH+H"	33.033486
"377392"	1069.054158	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+K"	38.963158
"738644"	1584.099658	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+K"	38.963158
"1541261"	554.008658	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+K"	38.963158
"298998"	535.030717	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+H+K"	39.970434
"693412"	792.553467	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+H+K"	39.970434
"1448695"	277.507967	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H+K"	39.970434
"244954"	1072.124826	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+ACN+H"	42.033826
"1223131"	557.079326	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+ACN+H"	42.033826
"1202640"	279.043301	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+ACN+2H"	43.041102
"201955"	1075.06216	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+2Na-H"	44.97116
"640909"	1590.10766	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+2Na-H"	44.97116
"1139674"	560.01666	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2Na-H"	44.97116
"179680"	538.034718	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+2Na"	45.978436
"615230"	795.557468	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+2Na"	45.978436
"1119467"	280.511968	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2Na"	45.978436
"1400194"	187.343737333333	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H+2Na"	46.985712
"1431826"	562.058246	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H+HCOOH"	47.012746
"226989"	543.06774	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+3H2O+2H"	56.04448
"1517238"	576.11029	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+IsoProp+H"	61.06479
"416925"	546.021688	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+Na+K"	61.952376
"771725"	803.544438	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+Na+K"	61.952376
"1668057"	288.498938	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Na+K"	61.952376
"258584"	1094.106768	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+ACN+Na"	64.015768
"1228017"	579.061268	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+ACN+Na"	64.015768
"1713624"	579.084793	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+NH4+HCOOH"	64.039293
"1183349"	194.671051333333	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+3Na"	68.967654
"1655428"	584.040188	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Na+HCOOH"	68.994688
"162290"	1107.01004	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+2K-H"	76.91904
"608412"	1622.05554	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+2K-H"	76.91904
"1096207"	591.96454	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2K-H"	76.91904
"154115"	554.008658	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"2M+2K"	77.926316
"592584"	811.531408	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"3M+2K"	77.926316
"1080377"	296.485908	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2K"	77.926316
"1114075"	593.979092	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2K+H"	78.933592
"1344501"	594.066707	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+DMSO+H"	79.021207
"1007681"	598.105876	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2ACN+H"	83.060376
"1525691"	599.099508	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+IsoProp+Na+H"	84.054008
"992139"	299.556576	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+2ACN+2H"	84.067652
"1589197"	600.014128	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+K+HCOOH"	84.968628
"1418871"	630.045638	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+H+CF3COOH"	115.000138
"1156816"	320.069851	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+3ACN+2H"	125.094202
"1704180"	647.072185	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+NH4+CF3COOH"	132.026685
"1642018"	652.02758	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+Na+CF3COOH"	136.98208
"1583140"	668.00152	"C19155"	"(2S)-Lactyl-2-diphospho-5-guanosine"	"C13H19N5O13P2"	"515.0455"	"M+K+CF3COOH"	152.95602
"803665"	169.998	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M"	0
"975735"	150.97961	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-H2O-H"	-19.01839
"66537"	112.324724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M-3H"	-3.021828
"508281"	168.990724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M-3H"	-3.021828
"891552"	55.658724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-3H"	-3.021828
"12314"	168.990724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M-2H"	-2.014552
"446407"	253.989724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M-2H"	-2.014552
"827489"	83.991724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-2H"	-2.014552
"86388"	338.988724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M-H"	-1.007276
"531420"	508.986724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M-H"	-1.007276
"904849"	168.990724	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-H"	-1.007276
"50110"	356.015271	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M-2H+NH4"	16.019271
"496593"	526.013271	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M-2H+NH4"	16.019271
"874395"	186.017271	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-2H+NH4"	16.019271
"39015"	360.970666	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M-2H+Na"	20.974666
"477846"	530.968666	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M-2H+Na"	20.974666
"849571"	190.972666	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-2H+Na"	20.974666
"1631994"	190.972666	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Na-2H"	20.974666
"99166"	186.979063	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M-H+Cl"	33.962126
"543102"	271.978063	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M-H+Cl"	33.962126
"938809"	101.980063	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-H+Cl"	33.962126
"280648"	374.965402	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+Cl"	34.969402
"664690"	544.963402	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+Cl"	34.969402
"1273202"	204.967402	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Cl"	34.969402
"19648"	376.944606	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M-2H+K"	36.948606
"457749"	546.942606	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M-2H+K"	36.948606
"834822"	206.946606	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-2H+K"	36.948606
"1561227"	206.946606	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+K-2H"	36.948606
"946193"	214.996194	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-H+HCOOH"	44.998194
"363674"	384.994201	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+HCOOH-H"	44.998201
"347921"	399.009851	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+Hac-H"	59.013851
"1494933"	229.011851	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Hac-H"	59.013851
"960650"	236.978151	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-H+NaCOOH"	66.980151
"113934"	204.967402	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+2Cl"	69.938804
"554952"	289.966402	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+2Cl"	69.938804
"1024845"	119.968402	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2Cl"	69.938804
"1244424"	248.916885	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Br"	78.918885
"1307239"	250.972872	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Cl+HCOOH"	80.974872
"1324373"	272.954829	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Cl+NaCOOH"	102.956829
"912062"	282.983586	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M-H+CF3COOH"	112.985586
"1288858"	318.960264	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Cl+CF3COOH"	148.962264
"1372123"	134.985324	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H-2H2O"	-35.012676
"1387802"	152.9953	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H-H2O"	-17.0027
"288581"	341.003276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+H"	1.007276
"682099"	511.001276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+H"	1.007276
"1357354"	171.005276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H"	1.007276
"126597"	171.005276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+2H"	2.014552
"567615"	256.004276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+2H"	2.014552
"1042975"	86.006276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2H"	2.014552
"215249"	114.339276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+3H"	3.021828
"651528"	171.005276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+3H"	3.021828
"1172934"	57.673276	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+3H"	3.021828
"430739"	358.029823	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+NH4"	18.033823
"800118"	528.027823	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+NH4"	18.033823
"1694627"	188.031823	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+NH4"	18.033823
"340716"	179.5185495	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+H+NH4"	19.041099
"734230"	264.5175495	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+H+NH4"	19.041099
"1480036"	94.5195495	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H+NH4"	19.041099
"395437"	362.985218	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+Na"	22.989218
"755706"	532.983218	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+Na"	22.989218
"1605991"	192.987218	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Na"	22.989218
"316392"	181.996247	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+H+Na"	23.996494
"708810"	266.995247	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+H+Na"	23.996494
"1462143"	96.997247	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H+Na"	23.996494
"1053198"	65.00059	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2H+Na"	25.00377
"1258770"	203.031486	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+CH3OH+H"	33.033486
"378437"	378.959158	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+K"	38.963158
"739311"	548.957158	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+K"	38.963158
"1541735"	208.961158	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+K"	38.963158
"299636"	189.983217	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+H+K"	39.970434
"693157"	274.982217	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+H+K"	39.970434
"1448439"	104.984217	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H+K"	39.970434
"245064"	382.029826	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+ACN+H"	42.033826
"1219962"	212.031826	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+ACN+H"	42.033826
"1202750"	106.519551	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+ACN+2H"	43.041102
"200730"	384.96716	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+2Na-H"	44.97116
"639561"	554.96516	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+2Na-H"	44.97116
"1140877"	214.96916	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2Na-H"	44.97116
"176510"	192.987218	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+2Na"	45.978436
"616432"	277.986218	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+2Na"	45.978436
"1118483"	107.988218	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2Na"	45.978436
"1400301"	72.327904	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H+2Na"	46.985712
"1436310"	217.010746	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H+HCOOH"	47.012746
"227099"	198.02024	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+3H2O+2H"	56.04448
"1520629"	231.06279	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+IsoProp+H"	61.06479
"417035"	200.974188	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+Na+K"	61.952376
"773660"	285.973188	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+Na+K"	61.952376
"1669989"	115.975188	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Na+K"	61.952376
"260882"	404.011768	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+ACN+Na"	64.015768
"1230313"	234.013768	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+ACN+Na"	64.015768
"1714827"	234.037293	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+NH4+HCOOH"	64.039293
"1184555"	79.655218	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+3Na"	68.967654
"1658820"	238.992688	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Na+HCOOH"	68.994688
"166777"	416.91504	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+2K-H"	76.91904
"608525"	586.91304	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+2K-H"	76.91904
"1098383"	246.91704	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2K-H"	76.91904
"154226"	208.961158	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"2M+2K"	77.926316
"593787"	293.960158	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"3M+2K"	77.926316
"1082431"	123.962158	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2K"	77.926316
"1115041"	248.931592	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2K+H"	78.933592
"1346799"	249.019207	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+DMSO+H"	79.021207
"1006819"	253.058376	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2ACN+H"	83.060376
"1526529"	254.052008	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+IsoProp+Na+H"	84.054008
"991641"	127.032826	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+2ACN+2H"	84.067652
"1589670"	254.966628	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+K+HCOOH"	84.968628
"1417158"	284.998138	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+H+CF3COOH"	115.000138
"1155833"	147.546101	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+3ACN+2H"	125.094202
"1702103"	302.024685	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+NH4+CF3COOH"	132.026685
"1642128"	306.98008	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+Na+CF3COOH"	136.98208
"1583250"	322.95402	"C19156"	"(2S)-2-Phospholactate"	"C3H7O6P"	"169.998"	"M+K+CF3COOH"	152.95602
"807056"	232.0381	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M"	0
"974710"	213.01971	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-H2O-H"	-19.01839
"66647"	153.684790666667	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M-3H"	-3.021828
"506205"	231.030824	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M-3H"	-3.021828
"889476"	76.3387573333333	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-3H"	-3.021828
"9143"	231.030824	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M-2H"	-2.014552
"442142"	347.049874	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M-2H"	-2.014552
"826506"	115.011774	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-2H"	-2.014552
"84310"	463.068924	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M-H"	-1.007276
"528247"	695.107024	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M-H"	-1.007276
"904958"	231.030824	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-H"	-1.007276
"49491"	480.095471	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M-2H+NH4"	16.019271
"490143"	712.133571	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M-2H+NH4"	16.019271
"867945"	248.057371	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-2H+NH4"	16.019271
"36574"	485.050866	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M-2H+Na"	20.974666
"475040"	717.088966	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M-2H+Na"	20.974666
"850290"	253.012766	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-2H+Na"	20.974666
"1620915"	253.012766	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Na-2H"	20.974666
"98181"	249.019163	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M-H+Cl"	33.962126
"536646"	365.038213	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M-H+Cl"	33.962126
"932357"	133.000113	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-H+Cl"	33.962126
"274198"	499.045602	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+Cl"	34.969402
"661273"	731.083702	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+Cl"	34.969402
"1276838"	267.007502	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Cl"	34.969402
"17205"	501.024806	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M-2H+K"	36.948606
"456643"	733.062906	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M-2H+K"	36.948606
"834568"	268.986706	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-2H+K"	36.948606
"1559148"	268.986706	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+K-2H"	36.948606
"945937"	277.036294	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-H+HCOOH"	44.998194
"364513"	509.074401	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+HCOOH-H"	44.998201
"348763"	523.090051	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+Hac-H"	59.013851
"1493947"	291.051951	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Hac-H"	59.013851
"961491"	299.018251	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-H+NaCOOH"	66.980151
"113679"	267.007502	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+2Cl"	69.938804
"553969"	383.026552	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+2Cl"	69.938804
"1023499"	150.988452	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2Cl"	69.938804
"1243077"	310.956985	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Br"	78.918885
"1305161"	313.012972	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Cl+HCOOH"	80.974872
"1324483"	334.994929	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Cl+NaCOOH"	102.956829
"911724"	345.023686	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M-H+CF3COOH"	112.985586
"1291157"	381.000364	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Cl+CF3COOH"	148.962264
"1369686"	197.025424	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H-2H2O"	-35.012676
"1385360"	215.0354	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H-H2O"	-17.0027
"287599"	465.083476	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+H"	1.007276
"678926"	697.121576	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+H"	1.007276
"1356006"	233.045376	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H"	1.007276
"128894"	233.045376	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+2H"	2.014552
"572097"	349.064426	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+2H"	2.014552
"1039195"	117.026326	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2H"	2.014552
"210985"	155.699342666667	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+3H"	3.021828
"651637"	233.045376	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+3H"	3.021828
"1164658"	78.3533093333333	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+3H"	3.021828
"431942"	482.110023	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+NH4"	18.033823
"796218"	714.148123	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+NH4"	18.033823
"1690361"	250.071923	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+NH4"	18.033823
"339731"	241.5586495	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+H+NH4"	19.041099
"732154"	357.5776995	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+H+NH4"	19.041099
"1482697"	125.5395995	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H+NH4"	19.041099
"400281"	487.065418	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+Na"	22.989218
"755811"	719.103518	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+Na"	22.989218
"1603545"	255.027318	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Na"	22.989218
"316504"	244.036347	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+H+Na"	23.996494
"707296"	360.055397	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+H+Na"	23.996494
"1462016"	128.017297	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H+Na"	23.996494
"1053476"	85.6806233333333	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2H+Na"	25.00377
"1257790"	265.071586	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+CH3OH+H"	33.033486
"377824"	503.039358	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+K"	38.963158
"739306"	735.077458	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+K"	38.963158
"1547684"	271.001258	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+K"	38.963158
"303400"	252.023317	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+H+K"	39.970434
"692904"	368.042367	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+H+K"	39.970434
"1448184"	136.004267	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H+K"	39.970434
"242987"	506.110026	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+ACN+H"	42.033826
"1220072"	274.071926	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+ACN+H"	42.033826
"1206145"	137.539601	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+ACN+2H"	43.041102
"201202"	509.04736	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+2Na-H"	44.97116
"639668"	741.08546	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+2Na-H"	44.97116
"1143172"	277.00926	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2Na-H"	44.97116
"182089"	255.027318	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+2Na"	45.978436
"620556"	371.046368	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+2Na"	45.978436
"1119687"	139.008268	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2Na"	45.978436
"1407585"	93.0079373333333	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H+2Na"	46.985712
"1434234"	279.050846	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H+HCOOH"	47.012746
"229397"	260.06034	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+3H2O+2H"	56.04448
"1517458"	293.10289	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+IsoProp+H"	61.06479
"418241"	263.014288	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+Na+K"	61.952376
"773042"	379.033338	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+Na+K"	61.952376
"1673380"	146.995238	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Na+K"	61.952376
"257712"	528.091968	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+ACN+Na"	64.015768
"1230059"	296.053868	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+ACN+Na"	64.015768
"1718218"	296.077393	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+NH4+HCOOH"	64.039293
"1183935"	100.335251333333	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+3Na"	68.967654
"1657838"	301.032788	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Na+HCOOH"	68.994688
"166886"	540.99524	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+2K-H"	76.91904
"608635"	773.03334	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+2K-H"	76.91904
"1093146"	308.95714	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2K-H"	76.91904
"154336"	271.001258	"C19157"	"Thorium-232"	"Th"	"232.0381"	"2M+2K"	77.926316
"595721"	387.020308	"C19157"	"Thorium-232"	"Th"	"232.0381"	"3M+2K"	77.926316
"1082664"	154.982208	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2K"	77.926316
"1113808"	310.971692	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2K+H"	78.933592
"1346910"	311.059307	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+DMSO+H"	79.021207
"1007901"	315.098476	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2ACN+H"	83.060376
"1530287"	316.092108	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+IsoProp+Na+H"	84.054008
"991385"	158.052876	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+2ACN+2H"	84.067652
"1589415"	317.006728	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+K+HCOOH"	84.968628
"1417268"	347.038238	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+H+CF3COOH"	115.000138
"1154849"	178.566151	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+3ACN+2H"	125.094202
"1698202"	364.064785	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+NH4+CF3COOH"	132.026685
"1636769"	369.02018	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+Na+CF3COOH"	136.98208
"1583360"	384.99412	"C19157"	"Thorium-232"	"Th"	"232.0381"	"M+K+CF3COOH"	152.95602
"807166"	113.9639	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M"	0
"974218"	94.94551	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-H2O-H"	-19.01839
"67847"	74.9686573333333	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M-3H"	-3.021828
"505222"	112.956624	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M-3H"	-3.021828
"890680"	36.9806906666667	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-3H"	-3.021828
"8160"	112.956624	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M-2H"	-2.014552
"447720"	169.938574	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M-2H"	-2.014552
"825523"	55.974674	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-2H"	-2.014552
"90982"	226.920524	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M-H"	-1.007276
"527264"	340.884424	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M-H"	-1.007276
"905068"	112.956624	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-H"	-1.007276
"52883"	243.947071	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M-2H+NH4"	16.019271
"489163"	357.910971	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M-2H+NH4"	16.019271
"866965"	129.983171	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-2H+NH4"	16.019271
"33405"	248.902466	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M-2H+Na"	20.974666
"472964"	362.866366	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M-2H+Na"	20.974666
"849676"	134.938566	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-2H+Na"	20.974666
"1620666"	134.938566	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Na-2H"	20.974666
"99386"	130.944963	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M-H+Cl"	33.962126
"535299"	187.926913	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M-H+Cl"	33.962126
"931374"	73.963013	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-H+Cl"	33.962126
"274308"	262.897202	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+Cl"	34.969402
"664181"	376.861102	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+Cl"	34.969402
"1275125"	148.933302	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Cl"	34.969402
"20600"	264.876406	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M-2H+K"	36.948606
"456024"	378.840306	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M-2H+K"	36.948606
"834314"	150.912506	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-2H+K"	36.948606
"1556708"	150.912506	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+K-2H"	36.948606
"946777"	158.962094	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-H+HCOOH"	44.998194
"364991"	272.926001	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+HCOOH-H"	44.998201
"348874"	286.941651	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+Hac-H"	59.013851
"1493452"	172.977751	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Hac-H"	59.013851
"962332"	180.944051	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-H+NaCOOH"	66.980151
"114154"	148.933302	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+2Cl"	69.938804
"553351"	205.915252	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+2Cl"	69.938804
"1023974"	91.951352	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2Cl"	69.938804
"1245376"	192.882785	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Br"	78.918885
"1308189"	194.938772	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Cl+HCOOH"	80.974872
"1323502"	216.920729	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Cl+NaCOOH"	102.956829
"918935"	226.949486	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M-H+CF3COOH"	112.985586
"1292728"	262.926164	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Cl+CF3COOH"	148.962264
"1375994"	78.951224	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H-2H2O"	-35.012676
"1390210"	96.9612	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H-H2O"	-17.0027
"289898"	228.935076	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+H"	1.007276
"681227"	342.898976	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+H"	1.007276
"1356482"	114.971176	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H"	1.007276
"132650"	114.971176	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+2H"	2.014552
"568928"	171.953126	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+2H"	2.014552
"1040280"	57.989226	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2H"	2.014552
"207816"	76.9832093333333	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+3H"	3.021828
"647739"	114.971176	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+3H"	3.021828
"1167686"	38.9952426666667	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+3H"	3.021828
"428771"	245.961623	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+NH4"	18.033823
"791955"	359.925523	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+NH4"	18.033823
"1686098"	131.997723	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+NH4"	18.033823
"335469"	123.4844495	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+H+NH4"	19.041099
"731171"	180.4663995	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+H+NH4"	19.041099
"1479527"	66.5024995	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H+NH4"	19.041099
"398205"	250.917018	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+Na"	22.989218
"754833"	364.880918	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+Na"	22.989218
"1603414"	136.953118	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Na"	22.989218
"318437"	125.962147	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+H+Na"	23.996494
"709763"	182.944097	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+H+Na"	23.996494
"1462126"	68.980197	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H+Na"	23.996494
"1054277"	46.3225566666667	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2H+Na"	25.00377
"1258509"	146.997386	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+CH3OH+H"	33.033486
"380367"	266.890958	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+K"	38.963158
"739052"	380.854858	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+K"	38.963158
"1545608"	152.927058	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+K"	38.963158
"302053"	133.949117	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+H+K"	39.970434
"693743"	190.931067	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+H+K"	39.970434
"1446837"	76.967167	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H+K"	39.970434
"243097"	269.961626	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+ACN+H"	42.033826
"1222369"	155.997726	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+ACN+H"	42.033826
"1207348"	78.502501	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+ACN+2H"	43.041102
"202405"	272.89896	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+2Na-H"	44.97116
"640511"	386.86286	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+2Na-H"	44.97116
"1145472"	158.93506	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2Na-H"	44.97116
"186210"	136.953118	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+2Na"	45.978436
"623583"	193.935068	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+2Na"	45.978436
"1127455"	79.971168	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2Na"	45.978436
"1406603"	53.6498706666667	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H+2Na"	46.985712
"1440907"	160.976646	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H+HCOOH"	47.012746
"231695"	141.98614	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+3H2O+2H"	56.04448
"1517205"	175.02869	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+IsoProp+H"	61.06479
"420541"	144.940088	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+Na+K"	61.952376
"774976"	201.922038	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+Na+K"	61.952376
"1670211"	87.958138	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Na+K"	61.952376
"256731"	291.943568	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+ACN+Na"	64.015768
"1231264"	177.979668	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+ACN+Na"	64.015768
"1717599"	178.003193	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+NH4+HCOOH"	64.039293
"1184774"	60.9771846666667	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+3Na"	68.967654
"1660136"	182.958588	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Na+HCOOH"	68.994688
"164810"	304.84684	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+2K-H"	76.91904
"608745"	418.81074	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+2K-H"	76.91904
"1094354"	190.88294	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2K-H"	76.91904
"156152"	152.927058	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"2M+2K"	77.926316
"596807"	209.909008	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"3M+2K"	77.926316
"1082775"	95.945108	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2K"	77.926316
"1113920"	192.897492	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2K+H"	78.933592
"1340457"	192.985107	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+DMSO+H"	79.021207
"1008375"	197.024276	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2ACN+H"	83.060376
"1530397"	198.017908	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+IsoProp+Na+H"	84.054008
"992833"	99.015776	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+2ACN+2H"	84.067652
"1593538"	198.932528	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+K+HCOOH"	84.968628
"1415922"	228.964038	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+H+CF3COOH"	115.000138
"1149491"	119.529051	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+3ACN+2H"	125.094202
"1697948"	245.990585	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+NH4+CF3COOH"	132.026685
"1637972"	250.94598	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+Na+CF3COOH"	136.98208
"1586750"	266.91992	"C19158"	"Bis(chloromethyl) ether;BCME"	"C2H4Cl2O"	"113.9639"	"M+K+CF3COOH"	152.95602
"807276"	238.0496	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M"	0
"974850"	219.03121	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-H2O-H"	-19.01839
"67957"	157.692457333333	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M-3H"	-3.021828
"503064"	237.042324	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M-3H"	-3.021828
"886414"	78.3425906666667	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-3H"	-3.021828
"4990"	237.042324	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M-2H"	-2.014552
"446737"	356.067124	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M-2H"	-2.014552
"824540"	118.017524	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-2H"	-2.014552
"89999"	475.091924	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M-H"	-1.007276
"528467"	713.141524	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M-H"	-1.007276
"908583"	237.042324	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-H"	-1.007276
"55180"	492.118471	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M-2H+NH4"	16.019271
"488905"	730.168071	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M-2H+NH4"	16.019271
"865373"	254.068871	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-2H+NH4"	16.019271
"35335"	497.073866	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M-2H+Na"	20.974666
"473802"	735.123466	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M-2H+Na"	20.974666
"850879"	259.024266	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-2H+Na"	20.974666
"1619681"	259.024266	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Na-2H"	20.974666
"97309"	255.030663	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M-H+Cl"	33.962126
"536502"	374.055463	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M-H+Cl"	33.962126
"934764"	136.005863	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-H+Cl"	33.962126
"274418"	511.068602	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+Cl"	34.969402
"660030"	749.118202	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+Cl"	34.969402
"1272803"	273.019002	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Cl"	34.969402
"20345"	513.047806	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M-2H+K"	36.948606
"457718"	751.097406	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M-2H+K"	36.948606
"835155"	274.998206	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-2H+K"	36.948606
"1559007"	274.998206	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+K-2H"	36.948606
"945066"	283.047794	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-H+HCOOH"	44.998194
"362551"	521.097401	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+HCOOH-H"	44.998201
"347162"	535.113051	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+Hac-H"	59.013851
"1496359"	297.063451	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Hac-H"	59.013851
"962078"	305.029751	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-H+NaCOOH"	66.980151
"113539"	273.019002	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+2Cl"	69.938804
"554921"	392.043802	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+2Cl"	69.938804
"1021653"	153.994202	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2Cl"	69.938804
"1244757"	316.968485	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Br"	78.918885
"1308299"	319.024472	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Cl+HCOOH"	80.974872
"1325800"	341.006429	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Cl+NaCOOH"	102.956829
"921233"	351.035186	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M-H+CF3COOH"	112.985586
"1295754"	387.011864	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Cl+CF3COOH"	148.962264
"1376106"	203.036924	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H-2H2O"	-35.012676
"1392508"	221.0469	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H-H2O"	-17.0027
"287093"	477.106476	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+H"	1.007276
"681338"	715.156076	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+H"	1.007276
"1355499"	239.056876	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H"	1.007276
"130575"	239.056876	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+2H"	2.014552
"570134"	358.081676	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+2H"	2.014552
"1046223"	120.032076	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2H"	2.014552
"211208"	159.707009333333	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+3H"	3.021828
"645665"	239.056876	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+3H"	3.021828
"1167799"	80.3571426666667	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+3H"	3.021828
"428882"	494.133023	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+NH4"	18.033823
"793159"	732.182623	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+NH4"	18.033823
"1686210"	256.083423	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+NH4"	18.033823
"336674"	247.5701495	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+H+NH4"	19.041099
"732374"	366.5949495	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+H+NH4"	19.041099
"1481825"	128.5453495	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H+NH4"	19.041099
"399409"	499.088418	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+Na"	22.989218
"756036"	737.138018	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+Na"	22.989218
"1603520"	261.038818	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Na"	22.989218
"319641"	250.047847	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+H+Na"	23.996494
"709874"	369.072647	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+H+Na"	23.996494
"1461993"	131.023047	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H+Na"	23.996494
"1054387"	87.6844566666667	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2H+Na"	25.00377
"1259347"	271.083086	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+CH3OH+H"	33.033486
"380477"	515.062358	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+K"	38.963158
"741103"	753.111958	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+K"	38.963158
"1547905"	277.012758	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+K"	38.963158
"302526"	258.034817	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+H+K"	39.970434
"694946"	377.059617	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+H+K"	39.970434
"1446946"	139.010017	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H+K"	39.970434
"241021"	518.133026	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+ACN+H"	42.033826
"1214821"	280.083426	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+ACN+H"	42.033826
"1198707"	140.545351	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+ACN+2H"	43.041102
"201421"	521.07036	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+2Na-H"	44.97116
"639527"	759.11996	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+2Na-H"	44.97116
"1143761"	283.02076	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2Na-H"	44.97116
"185227"	261.038818	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+2Na"	45.978436
"622600"	380.063618	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+2Na"	45.978436
"1126837"	142.014018	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2Na"	45.978436
"1405620"	95.0117706666667	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H+2Na"	46.985712
"1442110"	285.062346	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H+HCOOH"	47.012746
"231441"	266.07184	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+3H2O+2H"	56.04448
"1520596"	299.11439	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+IsoProp+H"	61.06479
"416276"	269.025788	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+Na+K"	61.952376
"775085"	388.050588	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+Na+K"	61.952376
"1669227"	150.000988	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Na+K"	61.952376
"254290"	540.114968	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+ACN+Na"	64.015768
"1229188"	302.065368	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+ACN+Na"	64.015768
"1720260"	302.088893	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+NH4+HCOOH"	64.039293
"1182334"	102.339084666667	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+3Na"	68.967654
"1657694"	307.044288	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Na+HCOOH"	68.994688
"164919"	553.01824	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+2K-H"	76.91904
"607762"	791.06784	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+2K-H"	76.91904
"1091182"	314.96864	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2K-H"	76.91904
"156504"	277.012758	"C19159"	"Plutonium"	"Pu"	"238.0496"	"2M+2K"	77.926316
"596065"	396.037558	"C19159"	"Plutonium"	"Pu"	"238.0496"	"3M+2K"	77.926316
"1082886"	157.987958	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2K"	77.926316
"1114030"	316.983192	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2K+H"	78.933592
"1343849"	317.070807	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+DMSO+H"	79.021207
"1009096"	321.109976	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2ACN+H"	83.060376
"1525402"	322.103608	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+IsoProp+Na+H"	84.054008
"991486"	161.058626	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+2ACN+2H"	84.067652
"1590366"	323.018228	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+K+HCOOH"	84.968628
"1416032"	353.049738	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+H+CF3COOH"	115.000138
"1149601"	181.571901	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+3ACN+2H"	125.094202
"1697328"	370.076285	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+NH4+CF3COOH"	132.026685
"1636259"	375.03168	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+Na+CF3COOH"	136.98208
"1586860"	391.00562	"C19159"	"Plutonium"	"Pu"	"238.0496"	"M+K+CF3COOH"	152.95602
"810666"	80.0029	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M"	0
"975325"	60.98451	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-H2O-H"	-19.01839
"68067"	52.3279906666667	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M-3H"	-3.021828
"504465"	78.995624	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M-3H"	-3.021828
"881417"	25.6603573333333	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-3H"	-3.021828
"1088"	78.995624	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M-2H"	-2.014552
"441500"	118.997074	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M-2H"	-2.014552
"819909"	38.994174	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-2H"	-2.014552
"90109"	158.998524	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M-H"	-1.007276
"528577"	239.001424	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M-H"	-1.007276
"908571"	78.995624	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-H"	-1.007276
"59300"	176.025071	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M-2H+NH4"	16.019271
"491570"	256.027971	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M-2H+NH4"	16.019271
"872652"	96.022171	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-2H+NH4"	16.019271
"33992"	180.980466	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M-2H+Na"	20.974666
"477925"	260.983366	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M-2H+Na"	20.974666
"852449"	100.977566	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-2H+Na"	20.974666
"1623073"	100.977566	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Na-2H"	20.974666
"97419"	96.983963	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M-H+Cl"	33.962126
"534871"	136.985413	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M-H+Cl"	33.962126
"932687"	56.982513	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-H+Cl"	33.962126
"272341"	194.975202	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+Cl"	34.969402
"661726"	274.978102	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+Cl"	34.969402
"1273153"	114.972302	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Cl"	34.969402
"17175"	196.954406	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M-2H+K"	36.948606
"458557"	276.957306	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M-2H+K"	36.948606
"833563"	116.951506	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-2H+K"	36.948606
"1559117"	116.951506	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+K-2H"	36.948606
"945175"	125.001094	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-H+HCOOH"	44.998194
"361849"	205.004001	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+HCOOH-H"	44.998201
"346786"	219.019651	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+Hac-H"	59.013851
"1495376"	139.016751	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Hac-H"	59.013851
"959149"	146.983051	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-H+NaCOOH"	66.980151
"110972"	114.972302	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+2Cl"	69.938804
"555031"	154.973752	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+2Cl"	69.938804
"1022371"	74.970852	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2Cl"	69.938804
"1242680"	158.921785	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Br"	78.918885
"1305493"	160.977772	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Cl+HCOOH"	80.974872
"1321290"	182.959729	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Cl+NaCOOH"	102.956829
"912020"	192.988486	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M-H+CF3COOH"	112.985586
"1292948"	228.965164	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Cl+CF3COOH"	148.962264
"1374028"	44.990224	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H-2H2O"	-35.012676
"1389338"	63.0002	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H-H2O"	-17.0027
"292302"	161.013076	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+H"	1.007276
"678532"	241.015976	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+H"	1.007276
"1354515"	81.010176	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H"	1.007276
"129955"	81.010176	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+2H"	2.014552
"570244"	121.011626	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+2H"	2.014552
"1040137"	41.008726	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2H"	2.014552
"210224"	54.3425426666667	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+3H"	3.021828
"645775"	81.010176	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+3H"	3.021828
"1167910"	27.6749093333333	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+3H"	3.021828
"428993"	178.039623	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+NH4"	18.033823
"797642"	258.042523	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+NH4"	18.033823
"1687413"	98.036723	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+NH4"	18.033823
"340064"	89.5234495	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+H+NH4"	19.041099
"735766"	129.5248995	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+H+NH4"	19.041099
"1483028"	49.5219995	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H+NH4"	19.041099
"398427"	182.995018	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+Na"	22.989218
"759427"	262.997918	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+Na"	22.989218
"1604486"	102.992118	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Na"	22.989218
"320844"	92.001147	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+H+Na"	23.996494
"709984"	132.002597	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+H+Na"	23.996494
"1462224"	51.999697	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H+Na"	23.996494
"1055956"	35.0022233333333	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2H+Na"	25.00377
"1258730"	113.036386	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+CH3OH+H"	33.033486
"378519"	198.968958	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+K"	38.963158
"740852"	278.971858	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+K"	38.963158
"1545828"	118.966058	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+K"	38.963158
"301908"	99.988117	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+H+K"	39.970434
"696513"	139.989567	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+H+K"	39.970434
"1448878"	59.986667	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H+K"	39.970434
"238945"	202.039626	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+ACN+H"	42.033826
"1212748"	122.036726	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+ACN+H"	42.033826
"1204285"	61.522001	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+ACN+2H"	43.041102
"199343"	204.97696	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+2Na-H"	44.97116
"641091"	284.97986	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+2Na-H"	44.97116
"1144233"	124.97406	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2Na-H"	44.97116
"183149"	102.992118	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+2Na"	45.978436
"616513"	142.993568	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+2Na"	45.978436
"1125489"	62.990668	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2Na"	45.978436
"1404637"	42.3295373333333	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H+2Na"	46.985712
"1438940"	127.015646	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H+HCOOH"	47.012746
"226448"	108.02514	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+3H2O+2H"	56.04448
"1517425"	141.06769	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+IsoProp+H"	61.06479
"412012"	110.979088	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+Na+K"	61.952376
"775196"	150.980538	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+Na+K"	61.952376
"1672623"	70.977638	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Na+K"	61.952376
"258048"	224.021568	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+ACN+Na"	64.015768
"1231850"	144.018668	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+ACN+Na"	64.015768
"1718184"	144.042193	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+NH4+HCOOH"	64.039293
"1182445"	49.6568513333333	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+3Na"	68.967654
"1657077"	148.997588	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Na+HCOOH"	68.994688
"167219"	236.92484	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+2K-H"	76.91904
"608966"	316.92774	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+2K-H"	76.91904
"1095665"	156.92194	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2K-H"	76.91904
"154548"	118.966058	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"2M+2K"	77.926316
"595202"	158.967508	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"3M+2K"	77.926316
"1080930"	78.964608	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2K"	77.926316
"1113408"	158.936492	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2K+H"	78.933592
"1345051"	159.024107	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+DMSO+H"	79.021207
"1007260"	163.063276	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2ACN+H"	83.060376
"1525388"	164.056908	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+IsoProp+Na+H"	84.054008
"994881"	82.035276	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+2ACN+2H"	84.067652
"1592666"	164.971528	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+K+HCOOH"	84.968628
"1418329"	195.003038	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+H+CF3COOH"	115.000138
"1149711"	102.548551	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+3ACN+2H"	125.094202
"1702543"	212.029585	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+NH4+CF3COOH"	132.026685
"1639286"	216.98498	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+Na+CF3COOH"	136.98208
"1577129"	232.95892	"C19160"	"Chloromethyl methyl ether"	"C2H5ClO"	"80.0029"	"M+K+CF3COOH"	152.95602
"804215"	51.9405	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M"	0
"977016"	32.92211	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-H2O-H"	-19.01839
"68177"	33.619724	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M-3H"	-3.021828
"504091"	50.933224	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M-3H"	-3.021828
"882619"	16.306224	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-3H"	-3.021828
"1316"	50.933224	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M-2H"	-2.014552
"441243"	76.903474	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M-2H"	-2.014552
"818925"	24.962974	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-2H"	-2.014552
"92405"	102.873724	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M-H"	-1.007276
"533434"	154.814224	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M-H"	-1.007276
"910382"	50.933224	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-H"	-1.007276
"60868"	119.900271	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M-2H+NH4"	16.019271
"494962"	171.840771	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M-2H+NH4"	16.019271
"867296"	67.959771	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-2H+NH4"	16.019271
"42851"	124.855666	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M-2H+Na"	20.974666
"484597"	176.796166	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M-2H+Na"	20.974666
"861306"	72.915166	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-2H+Na"	20.974666
"1626465"	72.915166	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Na-2H"	20.974666
"99716"	68.921563	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M-H+Cl"	33.962126
"538182"	94.891813	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M-H+Cl"	33.962126
"936079"	42.951313	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-H+Cl"	33.962126
"272451"	138.850402	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+Cl"	34.969402
"662687"	190.790902	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+Cl"	34.969402
"1276548"	86.909902	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Cl"	34.969402
"18742"	140.829606	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M-2H+K"	36.948606
"460853"	192.770106	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M-2H+K"	36.948606
"837196"	88.889106	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-2H+K"	36.948606
"1561049"	88.889106	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+K-2H"	36.948606
"948201"	96.938694	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-H+HCOOH"	44.998194
"362042"	148.879201	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+HCOOH-H"	44.998201
"346775"	162.894851	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+Hac-H"	59.013851
"1495486"	110.954351	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Hac-H"	59.013851
"958892"	118.920651	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-H+NaCOOH"	66.980151
"111082"	86.909902	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+2Cl"	69.938804
"552224"	112.880152	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+2Cl"	69.938804
"1021505"	60.939652	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2Cl"	69.938804
"1244247"	130.859385	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Br"	78.918885
"1304995"	132.915372	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Cl+HCOOH"	80.974872
"1320095"	154.897329	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Cl+NaCOOH"	102.956829
"914161"	164.926086	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M-H+CF3COOH"	112.985586
"1293059"	200.902764	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Cl+CF3COOH"	148.962264
"1371586"	16.927824	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H-2H2O"	-35.012676
"1388354"	34.9378	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H-H2O"	-17.0027
"286216"	104.888276	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+H"	1.007276
"677911"	156.828776	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+H"	1.007276
"1352679"	52.947776	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H"	1.007276
"126538"	52.947776	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+2H"	2.014552
"566826"	78.918026	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+2H"	2.014552
"1037934"	26.977526	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2H"	2.014552
"205594"	35.634276	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+3H"	3.021828
"649892"	52.947776	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+3H"	3.021828
"1168020"	18.320776	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+3H"	3.021828
"431290"	121.914823	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+NH4"	18.033823
"790098"	173.855323	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+NH4"	18.033823
"1686063"	69.974323	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+NH4"	18.033823
"340174"	61.4610495	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+H+NH4"	19.041099
"734782"	87.4312995	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+H+NH4"	19.041099
"1480951"	35.4907995	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H+NH4"	19.041099
"396712"	126.870218	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+Na"	22.989218
"758443"	178.810718	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+Na"	22.989218
"1606542"	74.929718	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Na"	22.989218
"322048"	63.938747	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+H+Na"	23.996494
"710094"	89.908997	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+H+Na"	23.996494
"1463915"	37.968497	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H+Na"	23.996494
"1057161"	25.64809	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2H+Na"	25.00377
"1261027"	84.973986	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+CH3OH+H"	33.033486
"378510"	142.844158	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+K"	38.963158
"739866"	194.784658	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+K"	38.963158
"1549218"	90.903658	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+K"	38.963158
"304207"	71.925717	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+H+K"	39.970434
"694801"	97.895967	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+H+K"	39.970434
"1451540"	45.955467	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H+K"	39.970434
"247803"	145.914826	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+ACN+H"	42.033826
"1215044"	93.974326	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+ACN+H"	42.033826
"1206582"	47.490801	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+ACN+2H"	43.041102
"199453"	148.85216	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+2Na-H"	44.97116
"641931"	200.79266	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+2Na-H"	44.97116
"1144711"	96.91166	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2Na-H"	44.97116
"182530"	74.929718	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+2Na"	45.978436
"620997"	100.899968	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+2Na"	45.978436
"1125599"	48.959468	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2Na"	45.978436
"1411674"	32.975404	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H+2Na"	46.985712
"1436865"	98.953246	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H+HCOOH"	47.012746
"230932"	79.96274	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+3H2O+2H"	56.04448
"1514621"	113.00529	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+IsoProp+H"	61.06479
"411029"	82.916688	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+Na+K"	61.952376
"774213"	108.886938	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+Na+K"	61.952376
"1667992"	56.946438	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Na+K"	61.952376
"254514"	167.896768	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+ACN+Na"	64.015768
"1232323"	115.956268	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+ACN+Na"	64.015768
"1716838"	115.979793	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+NH4+HCOOH"	64.039293
"1180003"	40.302718	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+3Na"	68.967654
"1653906"	120.935188	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Na+HCOOH"	68.994688
"163318"	180.80004	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+2K-H"	76.91904
"603973"	232.74054	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+2K-H"	76.91904
"1092493"	128.85954	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2K-H"	76.91904
"149309"	90.903658	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"2M+2K"	77.926316
"589962"	116.873908	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"3M+2K"	77.926316
"1078852"	64.933408	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2K"	77.926316
"1108778"	130.874092	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2K+H"	78.933592
"1345162"	130.961707	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+DMSO+H"	79.021207
"1007491"	135.000876	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2ACN+H"	83.060376
"1525377"	135.994508	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+IsoProp+Na+H"	84.054008
"993897"	68.004076	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+2ACN+2H"	84.067652
"1593872"	136.909128	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+K+HCOOH"	84.968628
"1418440"	166.940638	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+H+CF3COOH"	115.000138
"1153102"	88.517351	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+3ACN+2H"	125.094202
"1703747"	183.967185	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+NH4+CF3COOH"	132.026685
"1639396"	188.92258	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+Na+CF3COOH"	136.98208
"1573959"	204.89652	"C19161"	"Chromium (VI);Chromium ion (6);Chromium hexavalent ion"	"Cr"	"51.9405"	"M+K+CF3COOH"	152.95602
"805418"	31.9739	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M"	0
"976762"	12.95551	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-H2O-H"	-19.01839
"65007"	20.3086573333333	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M-3H"	-3.021828
"503837"	30.966624	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M-3H"	-3.021828
"881270"	9.65069066666667	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-3H"	-3.021828
"210"	30.966624	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M-2H"	-2.014552
"440260"	46.953574	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M-2H"	-2.014552
"819035"	14.979674	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-2H"	-2.014552
"92515"	62.940524	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M-H"	-1.007276
"532812"	94.914424	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M-H"	-1.007276
"907334"	30.966624	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-H"	-1.007276
"59523"	79.967071	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M-2H+NH4"	16.019271
"497258"	111.940971	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M-2H+NH4"	16.019271
"875059"	47.993171	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-2H+NH4"	16.019271
"44053"	84.922466	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M-2H+Na"	20.974666
"484707"	116.896366	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M-2H+Na"	20.974666
"862509"	52.948566	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-2H+Na"	20.974666
"1626575"	52.948566	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Na-2H"	20.974666
"99826"	48.954963	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M-H+Cl"	33.962126
"538292"	64.941913	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M-H+Cl"	33.962126
"934002"	32.968013	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-H+Cl"	33.962126
"274748"	98.917202	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+Cl"	34.969402
"670087"	130.891102	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+Cl"	34.969402
"1283950"	66.943302	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Cl"	34.969402
"22498"	100.896406	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M-2H+K"	36.948606
"462789"	132.870306	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M-2H+K"	36.948606
"841682"	68.922506	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-2H+K"	36.948606
"1564078"	68.922506	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+K-2H"	36.948606
"950135"	76.972094	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-H+HCOOH"	44.998194
"367987"	108.946001	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+HCOOH-H"	44.998201
"351869"	122.961651	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+Hac-H"	59.013851
"1499243"	90.987751	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Hac-H"	59.013851
"962773"	98.954051	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-H+NaCOOH"	66.980151
"112044"	66.943302	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+2Cl"	69.938804
"553427"	82.930252	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+2Cl"	69.938804
"1021981"	50.956352	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2Cl"	69.938804
"1245451"	110.892785	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Br"	78.918885
"1304613"	112.948772	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Cl+HCOOH"	80.974872
"1319981"	134.930729	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Cl+NaCOOH"	102.956829
"915366"	144.959486	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M-H+CF3COOH"	112.985586
"1290617"	180.936164	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Cl+CF3COOH"	148.962264
"1372061"	-3.038776	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H-2H2O"	-35.012676
"1391744"	14.9712	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H-H2O"	-17.0027
"285962"	64.955076	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+H"	1.007276
"680573"	96.928976	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+H"	1.007276
"1354734"	32.981176	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H"	1.007276
"131998"	32.981176	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+2H"	2.014552
"569371"	48.968126	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+2H"	2.014552
"1040356"	16.994226	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2H"	2.014552
"205704"	22.3232093333333	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+3H"	3.021828
"651096"	32.981176	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+3H"	3.021828
"1168129"	11.6652426666667	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+3H"	3.021828
"436867"	81.981623	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+NH4"	18.033823
"793490"	113.955523	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+NH4"	18.033823
"1692006"	50.007723	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+NH4"	18.033823
"338097"	41.4944495	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+H+NH4"	19.041099
"733799"	57.4813995	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+H+NH4"	19.041099
"1479601"	25.5074995	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H+NH4"	19.041099
"397915"	86.937018	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+Na"	22.989218
"757460"	118.910918	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+Na"	22.989218
"1603736"	54.963118	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Na"	22.989218
"323251"	43.972147	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+H+Na"	23.996494
"715672"	59.959097	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+H+Na"	23.996494
"1466212"	27.985197	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H+Na"	23.996494
"1058364"	18.9925566666667	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2H+Na"	25.00377
"1260041"	65.007386	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+CH3OH+H"	33.033486
"378131"	102.910958	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+K"	38.963158
"739979"	134.884858	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+K"	38.963158
"1549328"	70.937058	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+K"	38.963158
"305409"	51.959117	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+H+K"	39.970434
"694182"	67.946067	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+H+K"	39.970434
"1450556"	35.972167	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H+K"	39.970434
"244633"	105.981626	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+ACN+H"	42.033826
"1215154"	74.007726	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+ACN+H"	42.033826
"1206692"	37.507501	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+ACN+2H"	43.041102
"198470"	108.91896	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+2Na-H"	44.97116
"641313"	140.89286	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+2Na-H"	44.97116
"1144092"	76.94506	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2Na-H"	44.97116
"182640"	54.963118	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+2Na"	45.978436
"617827"	70.950068	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+2Na"	45.978436
"1126802"	38.976168	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2Na"	45.978436
"1410325"	26.3198706666667	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H+2Na"	46.985712
"1440255"	78.986646	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H+HCOOH"	47.012746
"227762"	59.99614	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+3H2O+2H"	56.04448
"1515825"	93.03869	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+IsoProp+H"	61.06479
"412233"	62.950088	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+Na+K"	61.952376
"773594"	78.937038	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+Na+K"	61.952376
"1668102"	46.963138	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Na+K"	61.952376
"257539"	127.963568	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+ACN+Na"	64.015768
"1229153"	95.989668	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+ACN+Na"	64.015768
"1718770"	96.013193	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+NH4+HCOOH"	64.039293
"1181572"	33.6471846666667	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+3Na"	68.967654
"1656205"	100.968588	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Na+HCOOH"	68.994688
"164522"	140.86684	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+2K-H"	76.91904
"604813"	172.84074	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+2K-H"	76.91904
"1091512"	108.89294	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2K-H"	76.91904
"148327"	70.937058	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"2M+2K"	77.926316
"588982"	86.924008	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"3M+2K"	77.926316
"1073491"	54.950108	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2K"	77.926316
"1106702"	110.907492	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2K+H"	78.933592
"1341994"	110.995107	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+DMSO+H"	79.021207
"1008333"	115.034276	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2ACN+H"	83.060376
"1525241"	116.027908	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+IsoProp+Na+H"	84.054008
"990722"	58.020776	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+2ACN+2H"	84.067652
"1595074"	116.942528	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+K+HCOOH"	84.968628
"1421830"	146.974038	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+H+CF3COOH"	115.000138
"1154306"	78.534051	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+3ACN+2H"	125.094202
"1703857"	164.000585	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+NH4+CF3COOH"	132.026685
"1638413"	168.95598	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+Na+CF3COOH"	136.98208
"1574069"	184.92992	"C19162"	"Phosphorus-32;Phosphorus isotope of mass 32"	"P"	"31.9739"	"M+K+CF3COOH"	152.95602
"804436"	157.9724	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M"	0
"975781"	138.95401	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-H2O-H"	-19.01839
"63141"	104.307657333333	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M-3H"	-3.021828
"504675"	156.965124	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M-3H"	-3.021828
"884660"	51.6501906666667	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-3H"	-3.021828
"1050"	156.965124	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M-2H"	-2.014552
"440242"	235.951324	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M-2H"	-2.014552
"821698"	77.978924	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-2H"	-2.014552
"80224"	314.937524	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M-H"	-1.007276
"519544"	472.909924	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M-H"	-1.007276
"906351"	156.965124	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-H"	-1.007276
"59998"	331.964071	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M-2H+NH4"	16.019271
"499920"	489.936471	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M-2H+NH4"	16.019271
"876266"	173.991671	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-2H+NH4"	16.019271
"44161"	336.919466	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M-2H+Na"	20.974666
"484453"	494.891866	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M-2H+Na"	20.974666
"852046"	178.947066	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-2H+Na"	20.974666
"1626689"	178.947066	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Na-2H"	20.974666
"97750"	174.953463	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M-H+Cl"	33.962126
"543879"	253.939663	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M-H+Cl"	33.962126
"930834"	95.967263	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-H+Cl"	33.962126
"277052"	350.914202	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+Cl"	34.969402
"672753"	508.886602	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+Cl"	34.969402
"1286250"	192.941802	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Cl"	34.969402
"26619"	352.893406	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M-2H+K"	36.948606
"466181"	510.865806	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M-2H+K"	36.948606
"841792"	194.921006	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-2H+K"	36.948606
"1565281"	194.921006	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+K-2H"	36.948606
"952070"	202.970594	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-H+HCOOH"	44.998194
"369192"	360.943001	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+HCOOH-H"	44.998201
"351981"	374.958651	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+Hac-H"	59.013851
"1499718"	216.986251	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Hac-H"	59.013851
"963248"	224.952551	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-H+NaCOOH"	66.980151
"112154"	192.941802	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+2Cl"	69.938804
"554266"	271.928002	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+2Cl"	69.938804
"1023065"	113.955602	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2Cl"	69.938804
"1246656"	236.891285	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Br"	78.918885
"1305459"	238.947272	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Cl+HCOOH"	80.974872
"1322229"	260.929229	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Cl+NaCOOH"	102.956829
"911545"	270.957986	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M-H+CF3COOH"	112.985586
"1290363"	306.934664	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Cl+CF3COOH"	148.962264
"1372172"	122.959724	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H-2H2O"	-35.012676
"1390761"	140.9697	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H-H2O"	-17.0027
"286438"	316.952076	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+H"	1.007276
"680683"	474.924476	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+H"	1.007276
"1354845"	158.979676	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H"	1.007276
"129558"	158.979676	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+2H"	2.014552
"569482"	237.965876	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+2H"	2.014552
"1042653"	79.993476	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2H"	2.014552
"210553"	106.322209333333	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+3H"	3.021828
"653393"	158.979676	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+3H"	3.021828
"1173707"	53.6647426666667	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+3H"	3.021828
"433698"	333.978623	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+NH4"	18.033823
"796152"	491.951023	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+NH4"	18.033823
"1691023"	176.006223	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+NH4"	18.033823
"334925"	167.4929495	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+H+NH4"	19.041099
"723257"	246.4791495	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+H+NH4"	19.041099
"1479712"	88.5067495	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H+NH4"	19.041099
"392990"	338.934018	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+Na"	22.989218
"754460"	496.906418	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+Na"	22.989218
"1611137"	180.961618	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Na"	22.989218
"323363"	169.970647	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+H+Na"	23.996494
"710315"	248.956847	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+H+Na"	23.996494
"1462190"	90.984447	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H+Na"	23.996494
"1060661"	60.9920566666667	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2H+Na"	25.00377
"1262341"	191.005886	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+CH3OH+H"	33.033486
"384928"	354.907958	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+K"	38.963158
"749206"	512.880358	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+K"	38.963158
"1550532"	196.935558	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+K"	38.963158
"304426"	177.957617	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+H+K"	39.970434
"696850"	256.943817	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+H+K"	39.970434
"1449580"	98.971417	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H+K"	39.970434
"244743"	357.978626	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+ACN+H"	42.033826
"1218544"	200.006226	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+ACN+H"	42.033826
"1206438"	100.506751	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+ACN+2H"	43.041102
"200766"	360.91596	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+2Na-H"	44.97116
"639233"	518.88836	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+2Na-H"	44.97116
"1143469"	202.94356	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2Na-H"	44.97116
"180564"	180.961618	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+2Na"	45.978436
"617937"	259.947818	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+2Na"	45.978436
"1124724"	101.975418	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2Na"	45.978436
"1408248"	68.3193706666667	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H+2Na"	46.985712
"1438180"	204.985146	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H+HCOOH"	47.012746
"227872"	185.99464	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+3H2O+2H"	56.04448
"1511563"	219.03719	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+IsoProp+H"	61.06479
"412343"	188.948588	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+Na+K"	61.952376
"774432"	267.934788	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+Na+K"	61.952376
"1675139"	109.962388	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Na+K"	61.952376
"256555"	379.960568	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+ACN+Na"	64.015768
"1229263"	221.988168	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+ACN+Na"	64.015768
"1719974"	222.011693	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+NH4+HCOOH"	64.039293
"1178926"	75.6466846666667	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+3Na"	68.967654
"1657408"	226.967088	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Na+HCOOH"	68.994688
"162082"	392.86384	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+2K-H"	76.91904
"604921"	550.83624	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+2K-H"	76.91904
"1090526"	234.89144	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2K-H"	76.91904
"149532"	196.935558	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"2M+2K"	77.926316
"590184"	275.921758	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"3M+2K"	77.926316
"1075788"	117.949358	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2K"	77.926316
"1108998"	236.905992	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2K+H"	78.933592
"1337729"	236.993607	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+DMSO+H"	79.021207
"1008445"	241.032776	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2ACN+H"	83.060376
"1526939"	242.026408	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+IsoProp+Na+H"	84.054008
"991200"	121.020026	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+2ACN+2H"	84.067652
"1590808"	242.941028	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+K+HCOOH"	84.968628
"1415376"	272.972538	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+H+CF3COOH"	115.000138
"1156603"	141.533301	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+3ACN+2H"	125.094202
"1702873"	289.999085	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+NH4+CF3COOH"	132.026685
"1639623"	294.95448	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+Na+CF3COOH"	136.98208
"1584021"	310.92842	"C19164"	"Sulfur mustard;Mustard gas;Iprit"	"C4H8Cl2S"	"157.9724"	"M+K+CF3COOH"	152.95602
"804546"	159.9847	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M"	0
"976984"	140.96631	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-H2O-H"	-19.01839
"64129"	105.649190666667	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M-3H"	-3.021828
"504420"	158.977424	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M-3H"	-3.021828
"884770"	52.3209573333333	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-3H"	-3.021828
"3345"	158.977424	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M-2H"	-2.014552
"440842"	238.969774	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M-2H"	-2.014552
"821808"	78.985074	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-2H"	-2.014552
"80091"	318.962124	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M-H"	-1.007276
"519898"	478.946824	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M-H"	-1.007276
"896607"	158.977424	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-H"	-1.007276
"48061"	335.988671	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M-2H+NH4"	16.019271
"498941"	495.973371	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M-2H+NH4"	16.019271
"876374"	176.003971	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-2H+NH4"	16.019271
"44271"	340.944066	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M-2H+Na"	20.974666
"481646"	500.928766	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M-2H+Na"	20.974666
"848876"	180.959366	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-2H+Na"	20.974666
"1630079"	180.959366	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Na-2H"	20.974666
"100047"	176.965763	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M-H+Cl"	33.962126
"540709"	256.958113	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M-H+Cl"	33.962126
"929121"	96.973413	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-H+Cl"	33.962126
"279348"	354.938802	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+Cl"	34.969402
"674444"	514.923502	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+Cl"	34.969402
"1287334"	194.954102	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Cl"	34.969402
"26731"	356.918006	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M-2H+K"	36.948606
"465928"	516.902706	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M-2H+K"	36.948606
"841902"	196.933306	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-2H+K"	36.948606
"1565391"	196.933306	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+K-2H"	36.948606
"951087"	204.982894	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-H+HCOOH"	44.998194
"369302"	364.967601	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+HCOOH-H"	44.998201
"353184"	378.983251	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+Hac-H"	59.013851
"1498735"	218.998551	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Hac-H"	59.013851
"961172"	226.964851	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-H+NaCOOH"	66.980151
"115181"	194.954102	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+2Cl"	69.938804
"554013"	274.946452	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+2Cl"	69.938804
"1023177"	114.961752	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2Cl"	69.938804
"1246036"	238.903585	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Br"	78.918885
"1304841"	240.959572	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Cl+HCOOH"	80.974872
"1323432"	262.941529	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Cl+NaCOOH"	102.956829
"913035"	272.970286	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M-H+CF3COOH"	112.985586
"1293025"	308.946964	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Cl+CF3COOH"	148.962264
"1375562"	124.972024	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H-2H2O"	-35.012676
"1391964"	142.982	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H-H2O"	-17.0027
"286548"	320.976676	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+H"	1.007276
"680793"	480.961376	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+H"	1.007276
"1354955"	160.991976	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H"	1.007276
"130032"	160.991976	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+2H"	2.014552
"571778"	240.984326	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+2H"	2.014552
"1042763"	80.999626	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2H"	2.014552
"210663"	107.663742666667	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+3H"	3.021828
"655326"	160.991976	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+3H"	3.021828
"1174910"	54.3355093333333	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+3H"	3.021828
"432715"	338.003223	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+NH4"	18.033823
"793712"	497.987923	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+NH4"	18.033823
"1692230"	178.018523	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+NH4"	18.033823
"336130"	169.5052495	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+H+NH4"	19.041099
"725273"	249.4975995	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+H+NH4"	19.041099
"1478241"	89.5128995	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H+NH4"	19.041099
"393761"	342.958618	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+Na"	22.989218
"755852"	502.943318	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+Na"	22.989218
"1603952"	182.973918	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Na"	22.989218
"320191"	171.982947	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+H+Na"	23.996494
"709330"	251.975297	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+H+Na"	23.996494
"1464245"	91.990597	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H+Na"	23.996494
"1053844"	61.6628233333333	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2H+Na"	25.00377
"1261356"	193.018186	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+CH3OH+H"	33.033486
"383215"	358.932558	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+K"	38.963158
"745304"	518.917258	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+K"	38.963158
"1542983"	198.947858	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+K"	38.963158
"302346"	179.969917	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+H+K"	39.970434
"698053"	259.962267	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+H+K"	39.970434
"1450783"	99.977567	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H+K"	39.970434
"242666"	362.003226	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+ACN+H"	42.033826
"1218654"	202.018526	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+ACN+H"	42.033826
"1205822"	101.512901	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+ACN+2H"	43.041102
"198689"	364.94056	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+2Na-H"	44.97116
"641167"	524.92526	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+2Na-H"	44.97116
"1141758"	204.95586	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2Na-H"	44.97116
"177394"	182.973918	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+2Na"	45.978436
"618047"	262.966268	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+2Na"	45.978436
"1117421"	102.981568	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2Na"	45.978436
"1400823"	68.9901373333333	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H+2Na"	46.985712
"1440474"	206.997446	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H+HCOOH"	47.012746
"229076"	188.00694	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+3H2O+2H"	56.04448
"1511673"	221.04949	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+IsoProp+H"	61.06479
"412453"	190.960888	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+Na+K"	61.952376
"772355"	270.953238	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+Na+K"	61.952376
"1671969"	110.968538	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Na+K"	61.952376
"256301"	383.985168	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+ACN+Na"	64.015768
"1229373"	224.000468	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+ACN+Na"	64.015768
"1720083"	224.023993	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+NH4+HCOOH"	64.039293
"1185439"	76.3174513333333	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+3Na"	68.967654
"1651320"	228.979388	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Na+HCOOH"	68.994688
"157816"	396.88844	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+2K-H"	76.91904
"602844"	556.87314	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+2K-H"	76.91904
"1091729"	236.90374	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2K-H"	76.91904
"149641"	198.947858	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"2M+2K"	77.926316
"589201"	278.940208	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"3M+2K"	77.926316
"1070431"	118.955508	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2K"	77.926316
"1103641"	238.918292	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2K+H"	78.933592
"1337474"	239.005907	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+DMSO+H"	79.021207
"1011833"	243.045076	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2ACN+H"	83.060376
"1526686"	244.038708	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+IsoProp+Na+H"	84.054008
"991674"	122.026176	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+2ACN+2H"	84.067652
"1590917"	244.953328	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+K+HCOOH"	84.968628
"1417672"	274.984838	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+H+CF3COOH"	115.000138
"1154526"	142.539451	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+3ACN+2H"	125.094202
"1702983"	292.011385	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+NH4+CF3COOH"	132.026685
"1639733"	296.96678	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+Na+CF3COOH"	136.98208
"1584131"	312.94072	"C19165"	"Benzal chloride"	"C7H6Cl2"	"159.9847"	"M+K+CF3COOH"	152.95602
"814500"	193.9457	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M"	0
"988032"	174.92731	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-H2O-H"	-19.01839
"70807"	128.289857333333	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M-3H"	-3.021828
"512555"	192.938424	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M-3H"	-3.021828
"893638"	63.6412906666667	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-3H"	-3.021828
"11118"	192.938424	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M-2H"	-2.014552
"450678"	289.911274	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M-2H"	-2.014552
"828481"	95.965574	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-2H"	-2.014552
"90660"	386.884124	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M-H"	-1.007276
"531325"	580.829824	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M-H"	-1.007276
"909726"	192.938424	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-H"	-1.007276
"58761"	403.910671	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M-2H+NH4"	16.019271
"500866"	597.856371	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M-2H+NH4"	16.019271
"876487"	209.964971	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-2H+NH4"	16.019271
"45478"	408.866066	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M-2H+Na"	20.974666
"485036"	602.811766	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M-2H+Na"	20.974666
"856281"	214.920366	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-2H+Na"	20.974666
"1628009"	214.920366	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Na-2H"	20.974666
"101259"	210.926763	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M-H+Cl"	33.962126
"534987"	307.899613	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M-H+Cl"	33.962126
"929230"	113.953913	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-H+Cl"	33.962126
"278367"	422.860802	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+Cl"	34.969402
"670790"	616.806502	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+Cl"	34.969402
"1281006"	228.915102	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Cl"	34.969402
"21376"	424.840006	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M-2H+K"	36.948606
"465311"	618.785706	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M-2H+K"	36.948606
"842019"	230.894306	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-2H+K"	36.948606
"1564409"	230.894306	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+K-2H"	36.948606
"951199"	238.943894	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-H+HCOOH"	44.998194
"371601"	432.889601	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+HCOOH-H"	44.998201
"355485"	446.905251	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+Hac-H"	59.013851
"1501038"	252.959551	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Hac-H"	59.013851
"966393"	260.925851	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-H+NaCOOH"	66.980151
"119675"	228.915102	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+2Cl"	69.938804
"558142"	325.887952	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+2Cl"	69.938804
"1028034"	131.942252	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2Cl"	69.938804
"1248704"	272.864585	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Br"	78.918885
"1310060"	274.920572	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Cl+HCOOH"	80.974872
"1331933"	296.902529	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Cl+NaCOOH"	102.956829
"922994"	306.931286	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M-H+CF3COOH"	112.985586
"1299702"	342.907964	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Cl+CF3COOH"	148.962264
"1375677"	158.933024	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H-2H2O"	-35.012676
"1396816"	176.943	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H-H2O"	-17.0027
"286299"	388.898676	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+H"	1.007276
"682000"	582.844376	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+H"	1.007276
"1358350"	194.952976	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H"	1.007276
"131238"	194.952976	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+2H"	2.014552
"575174"	291.925826	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+2H"	2.014552
"1046158"	97.980126	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2H"	2.014552
"208590"	130.304409333333	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+3H"	3.021828
"646083"	194.952976	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+3H"	3.021828
"1166275"	65.6558426666667	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+3H"	3.021828
"429547"	405.925223	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+NH4"	18.033823
"793822"	599.870923	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+NH4"	18.033823
"1691245"	211.979523	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+NH4"	18.033823
"339524"	203.4662495	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+H+NH4"	19.041099
"724654"	300.4390995	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+H+NH4"	19.041099
"1478236"	106.4933995	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H+NH4"	19.041099
"394604"	410.880618	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+Na"	22.989218
"761072"	604.826318	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+Na"	22.989218
"1612452"	216.934918	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Na"	22.989218
"324680"	205.943947	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+H+Na"	23.996494
"708221"	302.916797	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+H+Na"	23.996494
"1462289"	108.971097	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H+Na"	23.996494
"1055414"	72.9831566666667	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2H+Na"	25.00377
"1264748"	226.979186	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+CH3OH+H"	33.033486
"382231"	426.854558	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+K"	38.963158
"751614"	620.800258	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+K"	38.963158
"1550753"	232.908858	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+K"	38.963158
"305744"	213.930917	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+H+K"	39.970434
"702534"	310.903767	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+H+K"	39.970434
"1451988"	116.958067	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H+K"	39.970434
"239495"	429.925226	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+ACN+H"	42.033826
"1217672"	235.979526	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+ACN+H"	42.033826
"1204475"	118.493401	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+ACN+2H"	43.041102
"197708"	432.86256	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+2Na-H"	44.97116
"639094"	626.80826	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+2Na-H"	44.97116
"1142598"	238.91686	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2Na-H"	44.97116
"185892"	216.934918	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+2Na"	45.978436
"621441"	313.907768	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+2Na"	45.978436
"1127135"	119.962068	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2Na"	45.978436
"1411024"	80.3104706666667	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H+2Na"	46.985712
"1440588"	240.958446	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H+HCOOH"	47.012746
"233566"	221.96794	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+3H2O+2H"	56.04448
"1522357"	255.01049	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+IsoProp+H"	61.06479
"415847"	224.921888	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+Na+K"	61.952376
"781218"	321.894738	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+Na+K"	61.952376
"1673175"	127.949038	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Na+K"	61.952376
"257509"	451.907168	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+ACN+Na"	64.015768
"1232403"	257.961468	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+ACN+Na"	64.015768
"1718009"	257.984993	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+NH4+HCOOH"	64.039293
"1184456"	87.6377846666667	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+3Na"	68.967654
"1659816"	262.940388	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Na+HCOOH"	68.994688
"168862"	464.81044	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+2K-H"	76.91904
"602956"	658.75614	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+2K-H"	76.91904
"1088560"	270.86474	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2K-H"	76.91904
"144285"	232.908858	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"2M+2K"	77.926316
"589314"	329.881708	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"3M+2K"	77.926316
"1073825"	135.936008	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2K"	77.926316
"1105941"	272.879292	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2K+H"	78.933592
"1341232"	272.966907	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+DMSO+H"	79.021207
"1008664"	277.006076	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2ACN+H"	83.060376
"1526796"	277.999708	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+IsoProp+Na+H"	84.054008
"991417"	139.006676	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+2ACN+2H"	84.067652
"1587875"	278.914328	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+K+HCOOH"	84.968628
"1414383"	308.945838	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+H+CF3COOH"	115.000138
"1151355"	159.519951	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+3ACN+2H"	125.094202
"1698720"	325.972385	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+NH4+CF3COOH"	132.026685
"1646404"	330.92778	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+Na+CF3COOH"	136.98208
"1584241"	346.90172	"C19166"	"Benzotrichloride"	"C7H5Cl3"	"193.9457"	"M+K+CF3COOH"	152.95602
"814607"	126.0236	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M"	0
"980484"	107.00521	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-H2O-H"	-19.01839
"70917"	83.0084573333333	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M-3H"	-3.021828
"506103"	125.016324	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M-3H"	-3.021828
"890467"	41.0005906666667	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-3H"	-3.021828
"4667"	125.016324	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M-2H"	-2.014552
"444226"	188.028124	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M-2H"	-2.014552
"825311"	62.004524	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-2H"	-2.014552
"89677"	251.039924	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M-H"	-1.007276
"531068"	377.063524	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M-H"	-1.007276
"909958"	125.016324	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-H"	-1.007276
"61416"	268.066471	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M-2H+NH4"	16.019271
"501705"	394.090071	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M-2H+NH4"	16.019271
"876589"	142.042871	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-2H+NH4"	16.019271
"42304"	273.021866	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M-2H+Na"	20.974666
"479678"	399.045466	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M-2H+Na"	20.974666
"856391"	146.998266	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-2H+Na"	20.974666
"1628119"	146.998266	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Na-2H"	20.974666
"101369"	143.004663	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M-H+Cl"	33.962126
"535461"	206.016463	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M-H+Cl"	33.962126
"929340"	79.992863	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-H+Cl"	33.962126
"281761"	287.016602	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+Cl"	34.969402
"674058"	413.040202	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+Cl"	34.969402
"1285488"	160.993002	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Cl"	34.969402
"24766"	288.995806	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M-2H+K"	36.948606
"468700"	415.019406	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M-2H+K"	36.948606
"845409"	162.972206	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-2H+K"	36.948606
"1567800"	162.972206	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+K-2H"	36.948606
"954226"	171.021794	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-H+HCOOH"	44.998194
"370620"	297.045401	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+HCOOH-H"	44.998201
"353410"	311.061051	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+Hac-H"	59.013851
"1501148"	185.037451	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Hac-H"	59.013851
"966503"	193.003751	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-H+NaCOOH"	66.980151
"118692"	160.993002	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+2Cl"	69.938804
"559345"	224.004802	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+2Cl"	69.938804
"1030330"	97.981202	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2Cl"	69.938804
"1248815"	204.942485	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Br"	78.918885
"1310534"	206.998472	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Cl+HCOOH"	80.974872
"1329856"	228.980429	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Cl+NaCOOH"	102.956829
"925290"	239.009186	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M-H+CF3COOH"	112.985586
"1300905"	274.985864	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Cl+CF3COOH"	148.962264
"1375787"	91.010924	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H-2H2O"	-35.012676
"1398416"	109.0209	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H-H2O"	-17.0027
"292970"	253.054476	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+H"	1.007276
"681017"	379.078076	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+H"	1.007276
"1358460"	127.030876	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H"	1.007276
"133535"	127.030876	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+2H"	2.014552
"576377"	190.042676	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+2H"	2.014552
"1040801"	64.019076	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2H"	2.014552
"208699"	85.0230093333333	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+3H"	3.021828
"646072"	127.030876	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+3H"	3.021828
"1166385"	43.0151426666667	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+3H"	3.021828
"430751"	270.081023	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+NH4"	18.033823
"793932"	396.104623	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+NH4"	18.033823
"1691356"	144.057423	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+NH4"	18.033823
"339634"	135.5441495	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+H+NH4"	19.041099
"724401"	198.5559495	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+H+NH4"	19.041099
"1477860"	72.5323495	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H+NH4"	19.041099
"394351"	275.036418	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+Na"	22.989218
"757903"	401.060018	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+Na"	22.989218
"1611469"	149.012818	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Na"	22.989218
"325883"	138.021847	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+H+Na"	23.996494
"720490"	201.033647	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+H+Na"	23.996494
"1473217"	75.010047	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H+Na"	23.996494
"1058806"	50.3424566666667	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2H+Na"	25.00377
"1262672"	159.057086	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+CH3OH+H"	33.033486
"382341"	291.010358	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+K"	38.963158
"748808"	417.033958	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+K"	38.963158
"1548678"	164.986758	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+K"	38.963158
"310230"	146.008817	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+H+K"	39.970434
"699367"	209.020617	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+H+K"	39.970434
"1453191"	82.997017	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H+K"	39.970434
"240699"	294.081026	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+ACN+H"	42.033826
"1221062"	168.057426	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+ACN+H"	42.033826
"1200571"	84.532351	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+ACN+2H"	43.041102
"200004"	297.01836	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+2Na-H"	44.97116
"640293"	423.04196	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+2Na-H"	44.97116
"1140884"	170.99476	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2Na-H"	44.97116
"181988"	149.012818	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+2Na"	45.978436
"620455"	212.024618	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+2Na"	45.978436
"1125054"	86.001018	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2Na"	45.978436
"1410766"	57.6697706666667	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H+2Na"	46.985712
"1440697"	173.036346	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H+HCOOH"	47.012746
"232216"	154.04584	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+3H2O+2H"	56.04448
"1518453"	187.08839	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+IsoProp+H"	61.06479
"415957"	156.999788	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+Na+K"	61.952376
"774766"	220.011588	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+Na+K"	61.952376
"1670006"	93.987988	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Na+K"	61.952376
"254338"	316.062968	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+ACN+Na"	64.015768
"1230326"	190.039368	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+ACN+Na"	64.015768
"1717025"	190.062893	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+NH4+HCOOH"	64.039293
"1184566"	64.9970846666667	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+3Na"	68.967654
"1658833"	195.018288	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Na+HCOOH"	68.994688
"165694"	328.96624	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+2K-H"	76.91904
"607439"	454.98984	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+2K-H"	76.91904
"1089765"	202.94264	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2K-H"	76.91904
"141962"	164.986758	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"2M+2K"	77.926316
"583225"	227.998558	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"3M+2K"	77.926316
"1076122"	101.974958	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2K"	77.926316
"1106051"	204.957192	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2K+H"	78.933592
"1341340"	205.044807	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+DMSO+H"	79.021207
"1009869"	209.083976	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2ACN+H"	83.060376
"1529085"	210.077608	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+IsoProp+Na+H"	84.054008
"993354"	105.045626	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+2ACN+2H"	84.067652
"1588951"	210.992228	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+K+HCOOH"	84.968628
"1417894"	241.023738	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+H+CF3COOH"	115.000138
"1150371"	125.558901	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+3ACN+2H"	125.094202
"1701015"	258.050285	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+NH4+CF3COOH"	132.026685
"1646514"	263.00568	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+Na+CF3COOH"	136.98208
"1584351"	278.97962	"C19167"	"Benzyl chloride"	"C7H7Cl"	"126.0236"	"M+K+CF3COOH"	152.95602
"814717"	140.0029	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M"	0
"979501"	120.98451	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-H2O-H"	-19.01839
"71027"	92.3279906666667	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M-3H"	-3.021828
"506213"	138.995624	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M-3H"	-3.021828
"889484"	45.6603573333333	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-3H"	-3.021828
"5870"	138.995624	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M-2H"	-2.014552
"443607"	208.997074	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M-2H"	-2.014552
"826514"	68.994174	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-2H"	-2.014552
"89787"	278.998524	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M-H"	-1.007276
"532628"	419.001424	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M-H"	-1.007276
"909828"	138.995624	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-H"	-1.007276
"61162"	296.025071	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M-2H+NH4"	16.019271
"500721"	436.027971	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M-2H+NH4"	16.019271
"879536"	156.022171	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-2H+NH4"	16.019271
"45697"	300.980466	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M-2H+Na"	20.974666
"479787"	440.983366	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M-2H+Na"	20.974666
"854310"	160.977566	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-2H+Na"	20.974666
"1628228"	160.977566	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Na-2H"	20.974666
"104751"	156.983963	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M-H+Cl"	33.962126
"543227"	226.985413	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M-H+Cl"	33.962126
"931275"	86.982513	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-H+Cl"	33.962126
"280532"	314.975202	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+Cl"	34.969402
"672102"	454.978102	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+Cl"	34.969402
"1287421"	174.972302	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Cl"	34.969402
"29248"	316.954406	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M-2H+K"	36.948606
"467716"	456.957306	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M-2H+K"	36.948606
"846248"	176.951506	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-2H+K"	36.948606
"1569005"	176.951506	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+K-2H"	36.948606
"953610"	185.001094	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-H+HCOOH"	44.998194
"370731"	325.004001	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+HCOOH-H"	44.998201
"354613"	339.019651	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+Hac-H"	59.013851
"1499071"	199.016751	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Hac-H"	59.013851
"966613"	206.983051	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-H+NaCOOH"	66.980151
"116612"	174.972302	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+2Cl"	69.938804
"556176"	244.973752	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+2Cl"	69.938804
"1029346"	104.970852	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2Cl"	69.938804
"1250018"	218.921785	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Br"	78.918885
"1309187"	220.977772	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Cl+HCOOH"	80.974872
"1329965"	242.959729	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Cl+NaCOOH"	102.956829
"925400"	252.988486	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M-H+CF3COOH"	112.985586
"1301745"	288.965164	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Cl+CF3COOH"	148.962264
"1381001"	104.990224	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H-2H2O"	-35.012676
"1397400"	123.0002	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H-H2O"	-17.0027
"293080"	281.013076	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+H"	1.007276
"685501"	421.015976	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+H"	1.007276
"1362943"	141.010176	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H"	1.007276
"137292"	141.010176	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+2H"	2.014552
"576487"	211.011626	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+2H"	2.014552
"1043098"	71.008726	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2H"	2.014552
"206622"	94.3425426666667	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+3H"	3.021828
"648370"	141.010176	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+3H"	3.021828
"1167589"	47.6749093333333	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+3H"	3.021828
"430860"	298.039623	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+NH4"	18.033823
"790762"	438.042523	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+NH4"	18.033823
"1689280"	158.036723	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+NH4"	18.033823
"337559"	149.5234495	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+H+NH4"	19.041099
"725603"	219.5248995	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+H+NH4"	19.041099
"1477604"	79.5219995	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H+NH4"	19.041099
"393851"	302.995018	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+Na"	22.989218
"761293"	442.997918	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+Na"	22.989218
"1612672"	162.992118	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Na"	22.989218
"323805"	152.001147	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+H+Na"	23.996494
"720601"	222.002597	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+H+Na"	23.996494
"1475515"	81.999697	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H+Na"	23.996494
"1062198"	55.0022233333333	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2H+Na"	25.00377
"1261689"	173.036386	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+CH3OH+H"	33.033486
"382452"	318.968958	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+K"	38.963158
"743452"	458.971858	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+K"	38.963158
"1547695"	178.966058	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+K"	38.963158
"310340"	159.988117	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+H+K"	39.970434
"697291"	229.989567	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+H+K"	39.970434
"1451112"	89.986667	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H+K"	39.970434
"244088"	322.039626	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+ACN+H"	42.033826
"1220079"	182.036726	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+ACN+H"	42.033826
"1202868"	91.522001	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+ACN+2H"	43.041102
"199021"	324.97696	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+2Na-H"	44.97116
"639310"	464.97986	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+2Na-H"	44.97116
"1143181"	184.97406	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2Na-H"	44.97116
"178818"	162.992118	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+2Na"	45.978436
"621658"	232.993568	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+2Na"	45.978436
"1122977"	92.990668	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2Na"	45.978436
"1410512"	62.3295373333333	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H+2Na"	46.985712
"1441900"	187.015646	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H+HCOOH"	47.012746
"232690"	168.02514	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+3H2O+2H"	56.04448
"1516379"	201.06769	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+IsoProp+H"	61.06479
"418256"	170.979088	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+Na+K"	61.952376
"778156"	240.980538	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+Na+K"	61.952376
"1673397"	100.977638	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Na+K"	61.952376
"259917"	344.021568	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+ACN+Na"	64.015768
"1233719"	204.018668	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+ACN+Na"	64.015768
"1719321"	204.042193	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+NH4+HCOOH"	64.039293
"1185770"	69.6568513333333	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+3Na"	68.967654
"1657850"	208.997588	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Na+HCOOH"	68.994688
"161430"	356.92484	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+2K-H"	76.91904
"606456"	496.92774	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+2K-H"	76.91904
"1086595"	216.92194	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2K-H"	76.91904
"143777"	178.966058	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"2M+2K"	77.926316
"584066"	248.967508	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"3M+2K"	77.926316
"1075139"	108.964608	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2K"	77.926316
"1105068"	218.936492	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2K+H"	78.933592
"1341452"	219.024107	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+DMSO+H"	79.021207
"1010342"	223.063276	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2ACN+H"	83.060376
"1528103"	224.056908	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+IsoProp+Na+H"	84.054008
"993464"	112.035276	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+2ACN+2H"	84.067652
"1589061"	224.971528	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+K+HCOOH"	84.968628
"1416909"	255.003038	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+H+CF3COOH"	115.000138
"1150479"	132.548551	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+3ACN+2H"	125.094202
"1700029"	272.029585	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+NH4+CF3COOH"	132.026685
"1646624"	276.98498	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+Na+CF3COOH"	136.98208
"1584461"	292.95892	"C19168"	"Benzoyl chloride"	"C7H5ClO"	"140.0029"	"M+K+CF3COOH"	152.95602
"814827"	141.0345	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M"	0
"978518"	122.01611	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-H2O-H"	-19.01839
"67857"	93.015724	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M-3H"	-3.021828
"503405"	140.027224	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M-3H"	-3.021828
"883030"	46.004224	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-3H"	-3.021828
"262"	140.027224	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M-2H"	-2.014552
"445539"	210.544474	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M-2H"	-2.014552
"820060"	69.509974	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-2H"	-2.014552
"80053"	281.061724	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M-H"	-1.007276
"519245"	422.096224	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M-H"	-1.007276
"900697"	140.027224	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-H"	-1.007276
"55072"	298.088271	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M-2H+NH4"	16.019271
"501074"	439.122771	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M-2H+NH4"	16.019271
"870248"	157.053771	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-2H+NH4"	16.019271
"47012"	303.043666	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M-2H+Na"	20.974666
"479897"	444.078166	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M-2H+Na"	20.974666
"855514"	162.009166	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-2H+Na"	20.974666
"1629067"	162.009166	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Na-2H"	20.974666
"103768"	158.015563	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M-H+Cl"	33.962126
"541150"	228.532813	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M-H+Cl"	33.962126
"934666"	87.498313	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-H+Cl"	33.962126
"278698"	317.038402	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+Cl"	34.969402
"672212"	458.072902	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+Cl"	34.969402
"1284614"	176.003902	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Cl"	34.969402
"26078"	319.017606	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M-2H+K"	36.948606
"465638"	460.052106	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M-2H+K"	36.948606
"842348"	177.983106	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-2H+K"	36.948606
"1566929"	177.983106	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+K-2H"	36.948606
"952626"	186.032694	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-H+HCOOH"	44.998194
"371934"	327.067201	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+HCOOH-H"	44.998201
"356909"	341.082851	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+Hac-H"	59.013851
"1501367"	200.048351	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Hac-H"	59.013851
"968909"	208.014651	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-H+NaCOOH"	66.980151
"114168"	176.003902	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+2Cl"	69.938804
"554092"	246.521152	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+2Cl"	69.938804
"1025809"	105.486652	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2Cl"	69.938804
"1244658"	219.953385	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Br"	78.918885
"1307474"	222.009372	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Cl+HCOOH"	80.974872
"1330075"	243.991329	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Cl+NaCOOH"	102.956829
"926603"	254.020086	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M-H+CF3COOH"	112.985586
"1302947"	289.996764	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Cl+CF3COOH"	148.962264
"1380381"	106.021824	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H-2H2O"	-35.012676
"1397511"	124.0318	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H-H2O"	-17.0027
"294282"	283.076276	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+H"	1.007276
"687796"	424.110776	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+H"	1.007276
"1363782"	142.041776	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H"	1.007276
"133754"	142.041776	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+2H"	2.014552
"573315"	212.559026	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+2H"	2.014552
"1043207"	71.524526	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2H"	2.014552
"207096"	95.030276	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+3H"	3.021828
"648480"	142.041776	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+3H"	3.021828
"1170979"	48.018776	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+3H"	3.021828
"430971"	300.102823	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+NH4"	18.033823
"790873"	441.137323	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+NH4"	18.033823
"1691576"	159.068323	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+NH4"	18.033823
"338762"	150.5550495	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+H+NH4"	19.041099
"723526"	221.0722995	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+H+NH4"	19.041099
"1477956"	80.0377995	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H+NH4"	19.041099
"394569"	305.058218	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+Na"	22.989218
"761403"	446.092718	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+Na"	22.989218
"1613877"	164.023718	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Na"	22.989218
"325008"	153.032747	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+H+Na"	23.996494
"720711"	223.549997	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+H+Na"	23.996494
"1471252"	82.515497	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H+Na"	23.996494
"1057934"	55.34609	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2H+Na"	25.00377
"1259976"	174.067986	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+CH3OH+H"	33.033486
"379644"	321.032158	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+K"	38.963158
"746844"	462.066658	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+K"	38.963158
"1547805"	179.997658	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+K"	38.963158
"307167"	161.019717	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+H+K"	39.970434
"696306"	231.536967	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+H+K"	39.970434
"1452312"	90.502467	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H+K"	39.970434
"242011"	324.102826	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+ACN+H"	42.033826
"1214718"	183.068326	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+ACN+H"	42.033826
"1200790"	92.037801	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+ACN+2H"	43.041102
"195849"	327.04016	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+2Na-H"	44.97116
"640513"	468.07466	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+2Na-H"	44.97116
"1143291"	186.00566	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2Na-H"	44.97116
"178927"	164.023718	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+2Na"	45.978436
"618486"	234.540968	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+2Na"	45.978436
"1124181"	93.506468	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2Na"	45.978436
"1412079"	62.673404	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H+2Na"	46.985712
"1442011"	188.047246	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H+HCOOH"	47.012746
"232800"	169.05674	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+3H2O+2H"	56.04448
"1520860"	202.09929	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+IsoProp+H"	61.06479
"420552"	172.010688	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+Na+K"	61.952376
"778266"	242.527938	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+Na+K"	61.952376
"1677881"	101.493438	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Na+K"	61.952376
"257840"	346.084768	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+ACN+Na"	64.015768
"1233829"	205.050268	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+ACN+Na"	64.015768
"1720525"	205.073793	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+NH4+HCOOH"	64.039293
"1186973"	70.000718	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+3Na"	68.967654
"1655773"	210.029188	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Na+HCOOH"	68.994688
"161540"	358.98804	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+2K-H"	76.91904
"600006"	500.02254	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+2K-H"	76.91904
"1088892"	217.95354	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2K-H"	76.91904
"145710"	179.997658	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"2M+2K"	77.926316
"587457"	250.514908	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"3M+2K"	77.926316
"1077436"	109.480408	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2K"	77.926316
"1109552"	219.968092	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2K+H"	78.933592
"1344843"	220.055707	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+DMSO+H"	79.021207
"1010451"	224.094876	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2ACN+H"	83.060376
"1529307"	225.088508	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+IsoProp+Na+H"	84.054008
"991750"	112.551076	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+2ACN+2H"	84.067652
"1588438"	226.003128	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+K+HCOOH"	84.968628
"1420299"	256.034638	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+H+CF3COOH"	115.000138
"1150590"	133.064351	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+3ACN+2H"	125.094202
"1700140"	273.061185	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+NH4+CF3COOH"	132.026685
"1646734"	278.01658	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+Na+CF3COOH"	136.98208
"1584571"	293.99052	"C19169"	"4-Chloro-ortho-toluidine;4-Chloro-o-toluidine;2-Amino-5-chlorotoluene"	"C7H8ClN"	"141.0345"	"M+K+CF3COOH"	152.95602
"814937"	313.0677	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M"	0
"978628"	294.04931	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-H2O-H"	-19.01839
"65051"	207.704524	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M-3H"	-3.021828
"503515"	312.060424	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M-3H"	-3.021828
"880953"	103.348624	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-3H"	-3.021828
"142"	312.060424	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M-2H"	-2.014552
"444556"	468.594274	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M-2H"	-2.014552
"819077"	155.526574	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-2H"	-2.014552
"80163"	625.128124	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M-H"	-1.007276
"519111"	938.195824	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M-H"	-1.007276
"899714"	312.060424	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-H"	-1.007276
"54089"	642.154671	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M-2H+NH4"	16.019271
"501305"	955.222371	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M-2H+NH4"	16.019271
"870358"	329.086971	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-2H+NH4"	16.019271
"45553"	647.110066	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M-2H+Na"	20.974666
"480007"	960.177766	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M-2H+Na"	20.974666
"850886"	334.042366	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-2H+Na"	20.974666
"1626262"	334.042366	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Na-2H"	20.974666
"102785"	330.048763	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M-H+Cl"	33.962126
"543447"	486.582613	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M-H+Cl"	33.962126
"934776"	173.514913	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-H+Cl"	33.962126
"277709"	661.104802	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+Cl"	34.969402
"662473"	974.172502	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+Cl"	34.969402
"1275972"	348.037102	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Cl"	34.969402
"26183"	663.084006	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M-2H+K"	36.948606
"470118"	976.151706	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M-2H+K"	36.948606
"844641"	350.016306	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-2H+K"	36.948606
"1569226"	350.016306	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+K-2H"	36.948606
"956015"	358.065894	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-H+HCOOH"	44.998194
"374229"	671.133601	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+HCOOH-H"	44.998201
"352644"	685.149251	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+Hac-H"	59.013851
"1497102"	372.081551	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Hac-H"	59.013851
"969019"	380.047851	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-H+NaCOOH"	66.980151
"112457"	348.037102	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+2Cl"	69.938804
"554568"	504.570952	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+2Cl"	69.938804
"1024098"	191.503252	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2Cl"	69.938804
"1246957"	391.986585	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Br"	78.918885
"1310500"	394.042572	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Cl+HCOOH"	80.974872
"1330185"	416.024529	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Cl+NaCOOH"	102.956829
"926635"	426.053286	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M-H+CF3COOH"	112.985586
"1302693"	462.029964	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Cl+CF3COOH"	148.962264
"1381219"	278.055024	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H-2H2O"	-35.012676
"1397621"	296.065	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H-H2O"	-17.0027
"296580"	627.142676	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+H"	1.007276
"690824"	940.210376	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+H"	1.007276
"1364622"	314.074976	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H"	1.007276
"138605"	314.074976	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+2H"	2.014552
"575611"	470.608826	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+2H"	2.014552
"1043317"	157.541126	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2H"	2.014552
"207936"	209.719076	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+3H"	3.021828
"652964"	314.074976	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+3H"	3.021828
"1169996"	105.363176	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+3H"	3.021828
"432174"	644.169223	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+NH4"	18.033823
"793170"	957.236923	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+NH4"	18.033823
"1693874"	331.101523	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+NH4"	18.033823
"339967"	322.5882495	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+H+NH4"	19.041099
"730198"	479.1220995	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+H+NH4"	19.041099
"1478555"	166.0543995	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H+NH4"	19.041099
"396139"	649.124618	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+Na"	22.989218
"761513"	962.192318	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+Na"	22.989218
"1613987"	336.056918	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Na"	22.989218
"327305"	325.065947	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+H+Na"	23.996494
"717541"	481.599797	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+H+Na"	23.996494
"1471361"	168.532097	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H+Na"	23.996494
"1063513"	112.69049	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2H+Na"	25.00377
"1266282"	346.101186	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+CH3OH+H"	33.033486
"384128"	665.098558	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+K"	38.963158
"738764"	978.166258	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+K"	38.963158
"1542804"	352.030858	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+K"	38.963158
"305088"	333.052917	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+H+K"	39.970434
"694228"	489.586767	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+H+K"	39.970434
"1454611"	176.519067	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H+K"	39.970434
"241027"	668.169226	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+ACN+H"	42.033826
"1214828"	355.101526	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+ACN+H"	42.033826
"1199077"	178.054401	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+ACN+2H"	43.041102
"193043"	671.10656	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+2Na-H"	44.97116
"635520"	984.17426	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+2Na-H"	44.97116
"1141580"	358.03886	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2Na-H"	44.97116
"182318"	336.056918	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+2Na"	45.978436
"619690"	492.590768	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+2Na"	45.978436
"1119551"	179.523068	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2Na"	45.978436
"1411096"	120.017804	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H+2Na"	46.985712
"1437746"	360.080446	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H+HCOOH"	47.012746
"229628"	341.08994	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+3H2O+2H"	56.04448
"1519877"	374.13249	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+IsoProp+H"	61.06479
"421027"	344.043888	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+Na+K"	61.952376
"778376"	500.577738	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+Na+K"	61.952376
"1676897"	187.510038	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Na+K"	61.952376
"261230"	690.151168	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+ACN+Na"	64.015768
"1236125"	377.083468	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+ACN+Na"	64.015768
"1718448"	377.106993	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+NH4+HCOOH"	64.039293
"1182711"	127.345118	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+3Na"	68.967654
"1651023"	382.062388	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Na+HCOOH"	68.994688
"160557"	703.05444	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+2K-H"	76.91904
"604491"	1016.12214	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+2K-H"	76.91904
"1086817"	389.98674	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2K-H"	76.91904
"145820"	352.030858	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"2M+2K"	77.926316
"586474"	508.564708	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"3M+2K"	77.926316
"1075360"	195.497008	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2K"	77.926316
"1104196"	392.001292	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2K+H"	78.933592
"1343860"	392.088907	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+DMSO+H"	79.021207
"1008741"	396.128076	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2ACN+H"	83.060376
"1528329"	397.121708	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+IsoProp+Na+H"	84.054008
"994776"	198.567676	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+2ACN+2H"	84.067652
"1588427"	398.036328	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+K+HCOOH"	84.968628
"1417129"	428.067838	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+H+CF3COOH"	115.000138
"1156166"	219.080951	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+3ACN+2H"	125.094202
"1702437"	445.094385	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+NH4+CF3COOH"	132.026685
"1646844"	450.04978	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+Na+CF3COOH"	136.98208
"1584681"	466.02372	"C19170"	"Chlorozotocin"	"C9H16ClN3O7"	"313.0677"	"M+K+CF3COOH"	152.95602
"813954"	58.9332	"C19171"	"Cobalt"	"Co"	"58.9332"	"M"	0
"982018"	39.91481	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-H2O-H"	-19.01839
"64797"	38.281524	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M-3H"	-3.021828
"503625"	57.925924	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M-3H"	-3.021828
"882156"	18.637124	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-3H"	-3.021828
"849"	57.925924	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M-2H"	-2.014552
"442475"	87.392524	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M-2H"	-2.014552
"819187"	28.459324	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-2H"	-2.014552
"79541"	116.859124	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M-H"	-1.007276
"520315"	175.792324	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M-H"	-1.007276
"896664"	57.925924	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-H"	-1.007276
"55292"	133.885671	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M-2H+NH4"	16.019271
"495947"	192.818871	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M-2H+NH4"	16.019271
"870468"	74.952471	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-2H+NH4"	16.019271
"42746"	138.841066	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M-2H+Na"	20.974666
"480117"	197.774266	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M-2H+Na"	20.974666
"850632"	79.907866	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-2H+Na"	20.974666
"1625279"	79.907866	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Na-2H"	20.974666
"103989"	75.914263	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M-H+Cl"	33.962126
"544651"	105.380863	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M-H+Cl"	33.962126
"935980"	46.447663	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-H+Cl"	33.962126
"275632"	152.835802	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+Cl"	34.969402
"662583"	211.769002	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+Cl"	34.969402
"1280457"	93.902602	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Cl"	34.969402
"24107"	154.815006	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M-2H+K"	36.948606
"469135"	213.748206	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M-2H+K"	36.948606
"842565"	95.881806	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-2H+K"	36.948606
"1568241"	95.881806	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+K-2H"	36.948606
"955031"	103.931394	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-H+HCOOH"	44.998194
"371059"	162.864601	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+HCOOH-H"	44.998201
"352754"	176.880251	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+Hac-H"	59.013851
"1493932"	117.947051	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Hac-H"	59.013851
"968036"	125.913351	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-H+NaCOOH"	66.980151
"111835"	93.902602	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+2Cl"	69.938804
"552492"	123.369202	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+2Cl"	69.938804
"1024206"	64.436002	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2Cl"	69.938804
"1250347"	137.852085	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Br"	78.918885
"1310610"	139.908072	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Cl+HCOOH"	80.974872
"1327015"	161.890029	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Cl+NaCOOH"	102.956829
"926337"	171.918786	"C19171"	"Cobalt"	"Co"	"58.9332"	"M-H+CF3COOH"	112.985586
"1302806"	207.895464	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Cl+CF3COOH"	148.962264
"1381694"	23.920524	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H-2H2O"	-35.012676
"1397366"	41.9305	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H-H2O"	-17.0027
"297664"	118.873676	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+H"	1.007276
"689839"	177.806876	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+H"	1.007276
"1362181"	59.940476	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H"	1.007276
"137985"	59.940476	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+2H"	2.014552
"575721"	89.407076	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+2H"	2.014552
"1042332"	30.473876	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2H"	2.014552
"208046"	40.296076	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+3H"	3.021828
"655261"	59.940476	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+3H"	3.021828
"1172293"	20.651676	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+3H"	3.021828
"430098"	135.900223	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+NH4"	18.033823
"792187"	194.833423	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+NH4"	18.033823
"1690706"	76.967023	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+NH4"	18.033823
"342263"	68.4537495	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+H+NH4"	19.041099
"727029"	97.9203495	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+H+NH4"	19.041099
"1481946"	38.9871495	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H+NH4"	19.041099
"398434"	140.855618	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+Na"	22.989218
"763811"	199.788818	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+Na"	22.989218
"1615192"	81.922418	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Na"	22.989218
"327416"	70.931447	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+H+Na"	23.996494
"718745"	100.398047	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+H+Na"	23.996494
"1470378"	41.464847	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H+Na"	23.996494
"1064716"	27.97899	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2H+Na"	25.00377
"1264206"	91.966686	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+CH3OH+H"	33.033486
"382781"	156.829558	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+K"	38.963158
"738794"	215.762758	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+K"	38.963158
"1541456"	97.896358	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+K"	38.963158
"301919"	78.918417	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+H+K"	39.970434
"693244"	108.385017	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+H+K"	39.970434
"1450348"	49.451817	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H+K"	39.970434
"238950"	159.900226	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+ACN+H"	42.033826
"1213846"	100.967026	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+ACN+H"	42.033826
"1198094"	50.987151	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+ACN+2H"	43.041102
"193153"	162.83756	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+2Na-H"	44.97116
"633807"	221.77076	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+2Na-H"	44.97116
"1139138"	103.90436	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2Na-H"	44.97116
"177325"	81.922418	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+2Na"	45.978436
"617977"	111.389018	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+2Na"	45.978436
"1120026"	52.455818	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2Na"	45.978436
"1405742"	35.306304	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H+2Na"	46.985712
"1435669"	105.945946	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H+HCOOH"	47.012746
"225365"	86.95544	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+3H2O+2H"	56.04448
"1518895"	119.99799	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+IsoProp+H"	61.06479
"419679"	89.909388	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+Na+K"	61.952376
"781767"	119.375988	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+Na+K"	61.952376
"1675914"	60.442788	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Na+K"	61.952376
"262434"	181.882168	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+ACN+Na"	64.015768
"1235142"	122.948968	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+ACN+Na"	64.015768
"1720745"	122.972493	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+NH4+HCOOH"	64.039293
"1182821"	42.633618	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+3Na"	68.967654
"1650039"	127.927888	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Na+HCOOH"	68.994688
"165041"	194.78544	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+2K-H"	76.91904
"605693"	253.71864	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+2K-H"	76.91904
"1086927"	135.85224	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2K-H"	76.91904
"149211"	97.896358	"C19171"	"Cobalt"	"Co"	"58.9332"	"2M+2K"	77.926316
"586584"	127.362958	"C19171"	"Cobalt"	"Co"	"58.9332"	"3M+2K"	77.926316
"1077657"	68.429758	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2K"	77.926316
"1104306"	137.866792	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2K+H"	78.933592
"1343970"	137.954407	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+DMSO+H"	79.021207
"1008488"	141.993576	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2ACN+H"	83.060376
"1529533"	142.987208	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+IsoProp+Na+H"	84.054008
"993793"	71.500426	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+2ACN+2H"	84.067652
"1589022"	143.901828	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+K+HCOOH"	84.968628
"1421613"	173.933338	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+H+CF3COOH"	115.000138
"1152997"	92.013701	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+3ACN+2H"	125.094202
"1701454"	190.959885	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+NH4+CF3COOH"	132.026685
"1646954"	195.91528	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+Na+CF3COOH"	136.98208
"1584791"	211.88922	"C19171"	"Cobalt"	"Co"	"58.9332"	"M+K+CF3COOH"	152.95602
"815159"	226.0783	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M"	0
"986508"	207.05991	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-H2O-H"	-19.01839
"76937"	149.711590666667	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M-3H"	-3.021828
"508842"	225.071024	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M-3H"	-3.021828
"881540"	74.3521573333333	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-3H"	-3.021828
"3028"	225.071024	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M-2H"	-2.014552
"446966"	338.110174	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M-2H"	-2.014552
"820029"	112.031874	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-2H"	-2.014552
"80385"	451.149324	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M-H"	-1.007276
"521038"	677.227624	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M-H"	-1.007276
"899933"	225.071024	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-H"	-1.007276
"48842"	468.175871	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M-2H+NH4"	16.019271
"488278"	694.254171	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M-2H+NH4"	16.019271
"869486"	242.097571	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-2H+NH4"	16.019271
"40669"	473.131266	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M-2H+Na"	20.974666
"475858"	699.209566	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M-2H+Na"	20.974666
"856949"	247.052966	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-2H+Na"	20.974666
"1632680"	247.052966	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Na-2H"	20.974666
"105202"	243.059363	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M-H+Cl"	33.962126
"541484"	356.098513	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M-H+Cl"	33.962126
"936093"	130.020213	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-H+Cl"	33.962126
"277931"	487.126002	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+Cl"	34.969402
"673515"	713.204302	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+Cl"	34.969402
"1287740"	261.047702	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Cl"	34.969402
"29690"	489.105206	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M-2H+K"	36.948606
"465967"	715.183506	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M-2H+K"	36.948606
"846323"	263.026906	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-2H+K"	36.948606
"1565071"	263.026906	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+K-2H"	36.948606
"957208"	271.076494	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-H+HCOOH"	44.998194
"370077"	497.154801	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+HCOOH-H"	44.998201
"359430"	511.170451	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+Hac-H"	59.013851
"1505710"	285.092151	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Hac-H"	59.013851
"970336"	293.058451	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-H+NaCOOH"	66.980151
"119241"	261.047702	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+2Cl"	69.938804
"555521"	374.086852	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+2Cl"	69.938804
"1029791"	148.008552	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2Cl"	69.938804
"1248276"	304.997185	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Br"	78.918885
"1315097"	307.053172	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Cl+HCOOH"	80.974872
"1329313"	329.035129	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Cl+NaCOOH"	102.956829
"926087"	339.063886	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M-H+CF3COOH"	112.985586
"1303606"	375.040564	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Cl+CF3COOH"	148.962264
"1382497"	191.065624	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H-2H2O"	-35.012676
"1397724"	209.0756	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H-H2O"	-17.0027
"296677"	453.163876	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+H"	1.007276
"691291"	679.242176	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+H"	1.007276
"1363381"	227.085576	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H"	1.007276
"138458"	227.085576	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+2H"	2.014552
"580937"	340.124726	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+2H"	2.014552
"1051193"	114.046426	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2H"	2.014552
"216906"	151.726142666667	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+3H"	3.021828
"654279"	227.085576	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+3H"	3.021828
"1171311"	76.3667093333333	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+3H"	3.021828
"435677"	470.190423	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+NH4"	18.033823
"798858"	696.268723	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+NH4"	18.033823
"1690815"	244.112123	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+NH4"	18.033823
"339096"	235.5988495	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+H+NH4"	19.041099
"727143"	348.6379995	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+H+NH4"	19.041099
"1480964"	122.5596995	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H+NH4"	19.041099
"399644"	475.145818	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+Na"	22.989218
"765016"	701.224118	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+Na"	22.989218
"1617777"	249.067518	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Na"	22.989218
"320969"	238.076547	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+H+Na"	23.996494
"713388"	351.115697	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+H+Na"	23.996494
"1468303"	125.037397	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H+Na"	23.996494
"1056443"	83.6940233333333	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2H+Na"	25.00377
"1261035"	259.111786	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+CH3OH+H"	33.033486
"381803"	491.119758	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+K"	38.963158
"741707"	717.198058	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+K"	38.963158
"1545947"	265.041458	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+K"	38.963158
"302030"	246.063517	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+H+K"	39.970434
"695545"	359.102667	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+H+K"	39.970434
"1448274"	133.024367	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H+K"	39.970434
"244531"	494.190426	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+ACN+H"	42.033826
"1212500"	268.112126	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+ACN+H"	42.033826
"1203310"	134.559701	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+ACN+2H"	43.041102
"196181"	497.12776	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+2Na-H"	44.97116
"635743"	723.20606	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+2Na-H"	44.97116
"1139247"	271.04946	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2Na-H"	44.97116
"183637"	249.067518	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+2Na"	45.978436
"623197"	362.106668	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+2Na"	45.978436
"1121234"	136.028368	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2Na"	45.978436
"1403665"	91.0213373333333	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H+2Na"	46.985712
"1443440"	273.091046	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H+HCOOH"	47.012746
"234226"	254.10054	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+3H2O+2H"	56.04448
"1522290"	287.14309	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+IsoProp+H"	61.06479
"419795"	257.054488	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+Na+K"	61.952376
"780791"	370.093638	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+Na+K"	61.952376
"1678211"	144.015338	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Na+K"	61.952376
"264729"	516.172368	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+ACN+Na"	64.015768
"1236346"	290.094068	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+ACN+Na"	64.015768
"1725231"	290.117593	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+NH4+HCOOH"	64.039293
"1190587"	98.3486513333333	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+3Na"	68.967654
"1659384"	295.072988	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Na+HCOOH"	68.994688
"167338"	529.07564	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+2K-H"	76.91904
"605806"	755.15394	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+2K-H"	76.91904
"1088130"	302.99734	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2K-H"	76.91904
"144948"	265.041458	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"2M+2K"	77.926316
"588880"	378.080608	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"3M+2K"	77.926316
"1074486"	152.002308	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2K"	77.926316
"1103321"	305.011892	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2K+H"	78.933592
"1337520"	305.099507	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+DMSO+H"	79.021207
"1008237"	309.138676	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2ACN+H"	83.060376
"1527456"	310.132308	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+IsoProp+Na+H"	84.054008
"992809"	155.072976	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+2ACN+2H"	84.067652
"1591689"	311.046928	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+K+HCOOH"	84.968628
"1419536"	341.078438	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+H+CF3COOH"	115.000138
"1152011"	175.586251	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+3ACN+2H"	125.094202
"1710325"	358.104985	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+NH4+CF3COOH"	132.026685
"1648162"	363.06038	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+Na+CF3COOH"	136.98208
"1584902"	379.03432	"C19173"	"Cyclopentacdpyrene"	"C18H10"	"226.0783"	"M+K+CF3COOH"	152.95602
"814175"	302.1096	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M"	0
"983335"	283.09121	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"65014"	200.399124	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"507855"	301.102324	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"879931"	99.695924	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"217"	301.102324	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"441236"	452.157124	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"819406"	150.047524	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"80495"	603.211924	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"520050"	905.321524	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"897853"	301.102324	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"48101"	620.238471	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"487656"	922.348071	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"868503"	318.128871	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"36404"	625.193866	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"475968"	927.303466	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"862521"	323.084266	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1632061"	323.084266	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"106406"	319.090663	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"538314"	470.145463	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"936204"	168.035863	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"276948"	639.188602	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"670467"	941.298202	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1286147"	337.079002	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"27612"	641.167806	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"466078"	943.277406	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"841694"	339.058206	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1558620"	339.058206	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"954159"	347.107794	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"369093"	649.217401	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"356257"	663.233051	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1497434"	361.123451	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"966070"	369.089751	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"118257"	337.079002	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"556723"	488.133802	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1035368"	186.024202	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1252759"	381.028485	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1314112"	383.084472	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1329423"	405.066429	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"926320"	415.095186	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1303272"	451.071864	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1381314"	267.096924	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1397232"	285.1069	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"298252"	605.226476	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"691308"	907.336076	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1361304"	303.116876	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H"	1.007276
"138568"	303.116876	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"581331"	454.171676	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1052396"	152.062076	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"215922"	202.413676	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"655482"	303.116876	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1169234"	101.710476	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"432506"	622.253023	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"797873"	924.362623	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1692016"	320.143423	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"339206"	311.6301495	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"727253"	462.6849495	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1482167"	160.5753495	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"401941"	627.208418	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"768406"	929.318018	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1615413"	325.098818	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"325453"	314.107847	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"714591"	465.162647	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1469506"	163.053047	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1062751"	109.03779	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1261146"	335.143086	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"381912"	643.182358	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"741815"	945.291958	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1542771"	341.072758	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K"	38.963158
"303231"	322.094817	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"692734"	473.149617	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1450571"	171.040017	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"244641"	646.253026	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1214797"	344.143426	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1203420"	172.575351	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"194832"	649.19036	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"635487"	951.29996	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1135711"	347.08076	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"179734"	325.098818	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"618934"	476.153618	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1119883"	174.044018	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1405961"	116.365104	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1445129"	349.122346	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"234336"	330.13184	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1520214"	363.17439	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"419905"	333.085788	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"780900"	484.140588	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1678321"	182.030988	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"265447"	668.234968	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1238279"	366.125368	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1725341"	366.148893	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1189603"	123.692418	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1660587"	371.104288	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"171700"	681.13824	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"604822"	983.24784	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1087147"	379.02864	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"150524"	341.072758	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"584618"	492.127558	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1074596"	190.017958	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1108899"	381.043192	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1337630"	381.130807	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1007857"	385.169976	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1527197"	386.163608	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"992190"	193.088626	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1590706"	387.078228	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1417459"	417.109738	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1151027"	213.601901	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1709342"	434.136285	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1648637"	439.09168	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1585012"	455.06562	"C19174"	"Dibenzoalpyrene;Dibenzodefpchrysene;12910-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"813192"	107.0138	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M"	0
"982352"	87.99541	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-H2O-H"	-19.01839
"62954"	70.3352573333333	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M-3H"	-3.021828
"505414"	106.006524	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M-3H"	-3.021828
"880010"	34.6639906666667	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-3H"	-3.021828
"450"	106.006524	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M-2H"	-2.014552
"440373"	159.513424	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M-2H"	-2.014552
"818423"	52.499624	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-2H"	-2.014552
"80605"	213.020324	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M-H"	-1.007276
"519794"	320.034124	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M-H"	-1.007276
"896866"	106.006524	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-H"	-1.007276
"48809"	230.046871	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M-2H+NH4"	16.019271
"489345"	337.060671	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M-2H+NH4"	16.019271
"864326"	123.033071	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-2H+NH4"	16.019271
"33476"	235.002266	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M-2H+Na"	20.974666
"474985"	342.016066	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M-2H+Na"	20.974666
"863363"	127.988466	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-2H+Na"	20.974666
"1632171"	127.988466	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Na-2H"	20.974666
"106516"	123.994863	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M-H+Cl"	33.962126
"546078"	177.501763	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M-H+Cl"	33.962126
"937407"	70.487963	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-H+Cl"	33.962126
"274871"	248.997002	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+Cl"	34.969402
"674951"	356.010802	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+Cl"	34.969402
"1284069"	141.983202	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Cl"	34.969402
"31205"	250.976206	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M-2H+K"	36.948606
"468375"	357.990006	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M-2H+K"	36.948606
"839617"	143.962406	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-2H+K"	36.948606
"1556907"	143.962406	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+K-2H"	36.948606
"954269"	152.011994	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-H+HCOOH"	44.998194
"367017"	259.025801	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+HCOOH-H"	44.998201
"355274"	273.041451	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+Hac-H"	59.013851
"1497544"	166.027651	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Hac-H"	59.013851
"963992"	173.993951	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-H+NaCOOH"	66.980151
"115085"	141.983202	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+2Cl"	69.938804
"555739"	195.490102	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+2Cl"	69.938804
"1024541"	88.476302	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2Cl"	69.938804
"1248494"	185.932685	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Br"	78.918885
"1312036"	187.988672	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Cl+HCOOH"	80.974872
"1326252"	209.970629	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Cl+NaCOOH"	102.956829
"926185"	219.999386	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M-H+CF3COOH"	112.985586
"1303622"	255.976064	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Cl+CF3COOH"	148.962264
"1381297"	72.001124	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H-2H2O"	-35.012676
"1397333"	90.0111	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H-H2O"	-17.0027
"297016"	215.034876	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+H"	1.007276
"689440"	322.048676	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+H"	1.007276
"1364694"	108.021076	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H"	1.007276
"140989"	108.021076	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+2H"	2.014552
"581035"	161.527976	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+2H"	2.014552
"1052674"	54.514176	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2H"	2.014552
"218219"	72.3498093333333	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+3H"	3.021828
"655592"	108.021076	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+3H"	3.021828
"1171531"	36.6785426666667	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+3H"	3.021828
"432615"	232.061423	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+NH4"	18.033823
"797984"	339.075223	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+NH4"	18.033823
"1692127"	125.047623	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+NH4"	18.033823
"339316"	116.5343495	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+H+NH4"	19.041099
"728456"	170.0412495	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+H+NH4"	19.041099
"1484463"	63.0274495	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H+NH4"	19.041099
"402051"	237.016818	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+Na"	22.989218
"766330"	344.030618	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+Na"	22.989218
"1615523"	130.003018	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Na"	22.989218
"322282"	119.012047	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+H+Na"	23.996494
"712515"	172.518947	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+H+Na"	23.996494
"1469617"	65.505147	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H+Na"	23.996494
"1061768"	44.0058566666667	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2H+Na"	25.00377
"1259434"	140.047286	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+CH3OH+H"	33.033486
"382022"	252.990758	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+K"	38.963158
"743016"	360.004558	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+K"	38.963158
"1547255"	145.976958	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+K"	38.963158
"303341"	126.999017	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+H+K"	39.970434
"692481"	180.505917	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+H+K"	39.970434
"1446664"	73.492117	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H+K"	39.970434
"237092"	256.061426	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+ACN+H"	42.033826
"1215269"	149.047626	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+ACN+H"	42.033826
"1198058"	75.027451	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+ACN+2H"	43.041102
"192755"	258.99876	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+2Na-H"	44.97116
"634502"	366.01256	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+2Na-H"	44.97116
"1139101"	151.98496	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2Na-H"	44.97116
"180572"	130.003018	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+2Na"	45.978436
"618678"	183.509918	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+2Na"	45.978436
"1122909"	76.496118	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2Na"	45.978436
"1407165"	51.3331706666667	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H+2Na"	46.985712
"1441472"	154.026546	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H+HCOOH"	47.012746
"231167"	135.03604	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+3H2O+2H"	56.04448
"1519230"	168.07859	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+IsoProp+H"	61.06479
"421108"	137.989988	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+Na+K"	61.952376
"781738"	191.496888	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+Na+K"	61.952376
"1675152"	84.483088	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Na+K"	61.952376
"263856"	278.043368	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+ACN+Na"	64.015768
"1233286"	171.029568	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+ACN+Na"	64.015768
"1722171"	171.053093	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+NH4+HCOOH"	64.039293
"1188620"	58.6604846666667	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+3Na"	68.967654
"1662884"	176.008488	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Na+HCOOH"	68.994688
"170838"	290.94664	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+2K-H"	76.91904
"607119"	397.96044	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+2K-H"	76.91904
"1087257"	183.93284	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2K-H"	76.91904
"147354"	145.976958	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"2M+2K"	77.926316
"583269"	199.483858	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"3M+2K"	77.926316
"1074706"	92.470058	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2K"	77.926316
"1103542"	185.947392	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2K+H"	78.933592
"1337740"	186.035007	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+DMSO+H"	79.021207
"1006997"	190.074176	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2ACN+H"	83.060376
"1525488"	191.067808	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+IsoProp+Na+H"	84.054008
"991936"	95.540726	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+2ACN+2H"	84.067652
"1591909"	191.982428	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+K+HCOOH"	84.968628
"1416840"	222.013938	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+H+CF3COOH"	115.000138
"1150044"	116.054001	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+3ACN+2H"	125.094202
"1709452"	239.040485	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+NH4+CF3COOH"	132.026685
"1648382"	243.99588	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+Na+CF3COOH"	136.98208
"1585122"	259.96982	"C19175"	"Dimethylcarbamoyl chloride"	"C3H6ClNO"	"107.0138"	"M+K+CF3COOH"	152.95602
"814031"	60.0687	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M"	0
"982462"	41.05031	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H2O-H"	-19.01839
"63162"	39.038524	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-3H"	-3.021828
"505889"	59.061424	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-3H"	-3.021828
"881502"	19.015624	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-3H"	-3.021828
"1533"	59.061424	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H"	-2.014552
"440484"	89.095774	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H"	-2.014552
"817680"	29.027074	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H"	-2.014552
"78759"	119.130124	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-H"	-1.007276
"519055"	179.198824	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-H"	-1.007276
"898072"	59.061424	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H"	-1.007276
"48196"	136.156671	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H+NH4"	16.019271
"493102"	196.225371	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H+NH4"	16.019271
"864629"	76.087971	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H+NH4"	16.019271
"31608"	141.112066	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H+Na"	20.974666
"472053"	201.180766	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H+Na"	20.974666
"858366"	81.043366	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H+Na"	20.974666
"1631184"	81.043366	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na-2H"	20.974666
"105533"	77.049763	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-H+Cl"	33.962126
"544002"	107.084113	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-H+Cl"	33.962126
"938610"	47.015413	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+Cl"	33.962126
"281300"	155.106802	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Cl"	34.969402
"675553"	215.175502	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+Cl"	34.969402
"1284179"	95.038102	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl"	34.969402
"31157"	157.086006	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H+K"	36.948606
"470672"	217.154706	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H+K"	36.948606
"839727"	97.017306	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H+K"	36.948606
"1562120"	97.017306	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K-2H"	36.948606
"955472"	105.066894	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+HCOOH"	44.998194
"368220"	165.135601	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+HCOOH-H"	44.998201
"355384"	179.151251	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Hac-H"	59.013851
"1498747"	119.082551	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Hac-H"	59.013851
"964102"	127.048851	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+NaCOOH"	66.980151
"115195"	95.038102	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2Cl"	69.938804
"553661"	125.072452	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2Cl"	69.938804
"1027931"	65.003752	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2Cl"	69.938804
"1252978"	138.987585	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Br"	78.918885
"1314333"	141.043572	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl+HCOOH"	80.974872
"1327456"	163.025529	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl+NaCOOH"	102.956829
"926623"	173.054286	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+CF3COOH"	112.985586
"1303734"	209.030964	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl+CF3COOH"	148.962264
"1382579"	25.056024	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H-2H2O"	-35.012676
"1393067"	43.066	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H-H2O"	-17.0027
"296035"	121.144676	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H"	1.007276
"687363"	181.213376	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H"	1.007276
"1359337"	61.075976	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H"	1.007276
"138788"	61.075976	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2H"	2.014552
"578349"	91.110326	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2H"	2.014552
"1051768"	31.041626	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2H"	2.014552
"218329"	41.053076	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+3H"	3.021828
"656796"	61.075976	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+3H"	3.021828
"1173829"	21.030176	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+3H"	3.021828
"437830"	138.171223	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+NH4"	18.033823
"801019"	198.239923	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+NH4"	18.033823
"1694428"	78.102523	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+NH4"	18.033823
"342707"	69.5892495	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H+NH4"	19.041099
"734033"	99.6235995	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H+NH4"	19.041099
"1486761"	39.5548995	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+NH4"	19.041099
"398880"	143.126618	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Na"	22.989218
"766438"	203.195318	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+Na"	22.989218
"1617580"	83.057918	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na"	22.989218
"323486"	72.066947	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H+Na"	23.996494
"712625"	102.101297	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H+Na"	23.996494
"1465353"	42.032597	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+Na"	23.996494
"1060785"	28.35749	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2H+Na"	25.00377
"1261365"	93.102186	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+CH3OH+H"	33.033486
"378852"	159.100558	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+K"	38.963158
"741303"	219.169258	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+K"	38.963158
"1542991"	99.031858	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K"	38.963158
"299440"	80.053917	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H+K"	39.970434
"692591"	110.088267	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H+K"	39.970434
"1446165"	50.019567	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+K"	39.970434
"237201"	162.171226	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+ACN+H"	42.033826
"1211006"	102.102526	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+ACN+H"	42.033826
"1195131"	51.554901	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+ACN+2H"	43.041102
"193958"	165.10856	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2Na-H"	44.97116
"634612"	225.17726	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2Na-H"	44.97116
"1141763"	105.03986	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2Na-H"	44.97116
"181045"	83.057918	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2Na"	45.978436
"621699"	113.092268	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2Na"	45.978436
"1122656"	53.023568	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2Na"	45.978436
"1407274"	35.684804	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+2Na"	46.985712
"1443768"	107.081446	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+HCOOH"	47.012746
"231277"	88.09094	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+3H2O+2H"	56.04448
"1517152"	121.13349	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+IsoProp+H"	61.06479
"421944"	91.044888	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Na+K"	61.952376
"781118"	121.079238	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+Na+K"	61.952376
"1677448"	61.010538	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na+K"	61.952376
"263966"	184.153168	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+ACN+Na"	64.015768
"1234490"	124.084468	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+ACN+Na"	64.015768
"1722281"	124.107993	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+NH4+HCOOH"	64.039293
"1188730"	43.012118	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+3Na"	68.967654
"1664087"	129.063388	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na+HCOOH"	68.994688
"172041"	197.05644	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2K-H"	76.91904
"607229"	257.12514	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2K-H"	76.91904
"1089554"	136.98774	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2K-H"	76.91904
"147464"	99.031858	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2K"	77.926316
"583745"	129.066208	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2K"	77.926316
"1071536"	68.997508	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2K"	77.926316
"1108027"	139.002292	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2K+H"	78.933592
"1335906"	139.089907	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+DMSO+H"	79.021207
"1006622"	143.129076	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2ACN+H"	83.060376
"1525233"	144.122708	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+IsoProp+Na+H"	84.054008
"990952"	72.068176	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2ACN+2H"	84.067652
"1587398"	145.037328	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K+HCOOH"	84.968628
"1414560"	175.068838	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+CF3COOH"	115.000138
"1151248"	92.581451	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+3ACN+2H"	125.094202
"1710656"	192.095385	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+NH4+CF3COOH"	132.026685
"1648128"	197.05078	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na+CF3COOH"	136.98208
"1585232"	213.02472	"C19176"	"12-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K+CF3COOH"	152.95602
"815234"	125.9987	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M"	0
"979292"	106.98031	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-H2O-H"	-19.01839
"64251"	82.9918573333333	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M-3H"	-3.021828
"505999"	124.991424	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M-3H"	-3.021828
"881976"	40.9922906666667	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-3H"	-3.021828
"3465"	124.991424	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M-2H"	-2.014552
"440715"	187.990774	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M-2H"	-2.014552
"818154"	61.992074	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-2H"	-2.014552
"79361"	250.990124	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M-H"	-1.007276
"521476"	376.988824	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M-H"	-1.007276
"899277"	124.991424	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-H"	-1.007276
"52558"	268.016671	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M-2H+NH4"	16.019271
"494305"	394.015371	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M-2H+NH4"	16.019271
"869922"	142.017971	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-2H+NH4"	16.019271
"34176"	272.972066	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M-2H+Na"	20.974666
"472648"	398.970766	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M-2H+Na"	20.974666
"858476"	146.973366	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-2H+Na"	20.974666
"1628011"	146.973366	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Na-2H"	20.974666
"107707"	142.979763	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M-H+Cl"	33.962126
"546298"	205.979113	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M-H+Cl"	33.962126
"932157"	79.980413	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-H+Cl"	33.962126
"275088"	286.966802	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+Cl"	34.969402
"666417"	412.965502	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+Cl"	34.969402
"1277727"	160.968102	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Cl"	34.969402
"21377"	288.946006	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M-2H+K"	36.948606
"462032"	414.944706	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M-2H+K"	36.948606
"838744"	162.947306	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-2H+K"	36.948606
"1558950"	162.947306	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+K-2H"	36.948606
"945740"	170.996894	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-H+HCOOH"	44.998194
"363224"	296.995601	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+HCOOH-H"	44.998201
"348929"	311.011251	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+Hac-H"	59.013851
"1492886"	185.012551	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Hac-H"	59.013851
"960929"	192.978851	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-H+NaCOOH"	66.980151
"110439"	160.968102	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+2Cl"	69.938804
"550084"	223.967452	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+2Cl"	69.938804
"1021555"	97.968752	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2Cl"	69.938804
"1241905"	204.917585	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Br"	78.918885
"1312257"	206.973572	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Cl+HCOOH"	80.974872
"1327566"	228.955529	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Cl+NaCOOH"	102.956829
"917530"	238.984286	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M-H+CF3COOH"	112.985586
"1302987"	274.960964	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Cl+CF3COOH"	148.962264
"1377867"	90.986024	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H-2H2O"	-35.012676
"1396456"	108.996	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H-H2O"	-17.0027
"297237"	253.004676	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+H"	1.007276
"686375"	379.003376	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+H"	1.007276
"1363820"	127.005976	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H"	1.007276
"140721"	127.005976	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+2H"	2.014552
"576270"	190.005326	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+2H"	2.014552
"1045069"	64.006626	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2H"	2.014552
"215158"	85.0064093333333	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+3H"	3.021828
"653626"	127.005976	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+3H"	3.021828
"1173938"	43.0068426666667	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+3H"	3.021828
"432836"	270.031223	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+NH4"	18.033823
"797841"	396.029923	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+NH4"	18.033823
"1695630"	144.032523	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+NH4"	18.033823
"342089"	135.5192495	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+H+NH4"	19.041099
"736330"	198.5185995	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+H+NH4"	19.041099
"1486872"	72.5198995	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H+NH4"	19.041099
"402270"	274.986618	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+Na"	22.989218
"767641"	400.985318	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+Na"	22.989218
"1615380"	148.987918	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Na"	22.989218
"322503"	137.996947	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+H+Na"	23.996494
"711642"	200.996297	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+H+Na"	23.996494
"1467282"	74.997597	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H+Na"	23.996494
"1055790"	50.3341566666667	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2H+Na"	25.00377
"1262568"	159.032186	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+CH3OH+H"	33.033486
"381148"	290.960558	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+K"	38.963158
"741049"	416.959258	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+K"	38.963158
"1544195"	164.961858	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+K"	38.963158
"300279"	145.983917	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+H+K"	39.970434
"693794"	208.983267	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+H+K"	39.970434
"1447978"	82.984567	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H+K"	39.970434
"236218"	294.031226	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+ACN+H"	42.033826
"1214762"	168.032526	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+ACN+H"	42.033826
"1198645"	84.519901	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+ACN+2H"	43.041102
"191882"	296.96856	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+2Na-H"	44.97116
"636181"	422.96726	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+2Na-H"	44.97116
"1142602"	170.96986	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2Na-H"	44.97116
"181884"	148.987918	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+2Na"	45.978436
"622542"	211.987268	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+2Na"	45.978436
"1122037"	85.988568	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2Na"	45.978436
"1406291"	57.6614706666667	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H+2Na"	46.985712
"1442664"	173.011446	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H+HCOOH"	47.012746
"231387"	154.02094	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+3H2O+2H"	56.04448
"1520544"	187.06349	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+IsoProp+H"	61.06479
"419138"	156.974888	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+Na+K"	61.952376
"781228"	219.974238	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+Na+K"	61.952376
"1676465"	93.975538	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Na+K"	61.952376
"260796"	316.013168	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+ACN+Na"	64.015768
"1233870"	190.014468	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+ACN+Na"	64.015768
"1723485"	190.037993	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+NH4+HCOOH"	64.039293
"1186288"	64.9887846666667	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+3Na"	68.967654
"1662377"	194.993388	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Na+HCOOH"	68.994688
"170330"	328.91644	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+2K-H"	76.91904
"607339"	454.91514	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+2K-H"	76.91904
"1088571"	202.91774	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2K-H"	76.91904
"149761"	164.961858	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"2M+2K"	77.926316
"583856"	227.961208	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"3M+2K"	77.926316
"1078207"	101.962508	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2K"	77.926316
"1105950"	204.932292	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2K+H"	78.933592
"1336868"	205.019907	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+DMSO+H"	79.021207
"1006124"	209.059076	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2ACN+H"	83.060376
"1526801"	210.052708	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+IsoProp+Na+H"	84.054008
"991061"	105.033176	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+2ACN+2H"	84.067652
"1587751"	210.967328	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+K+HCOOH"	84.968628
"1416697"	240.998838	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+H+CF3COOH"	115.000138
"1149171"	125.546451	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+3ACN+2H"	125.094202
"1709673"	258.025385	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+NH4+CF3COOH"	132.026685
"1648967"	262.98078	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+Na+CF3COOH"	136.98208
"1585342"	278.95472	"C19177"	"Dimethyl sulfate"	"C2H6O4S"	"125.9987"	"M+K+CF3COOH"	152.95602
"811335"	117.0538	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M"	0
"979402"	98.03541	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-H2O-H"	-19.01839
"63268"	77.0285906666667	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M-3H"	-3.021828
"506109"	116.046524	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M-3H"	-3.021828
"880155"	38.0106573333333	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-3H"	-3.021828
"2116"	116.046524	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M-2H"	-2.014552
"441311"	174.573424	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M-2H"	-2.014552
"817777"	57.519624	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-2H"	-2.014552
"81051"	233.100324	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M-H"	-1.007276
"520005"	350.154124	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M-H"	-1.007276
"898415"	116.046524	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-H"	-1.007276
"51575"	250.126871	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M-2H+NH4"	16.019271
"493322"	367.180671	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M-2H+NH4"	16.019271
"866751"	133.073071	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-2H+NH4"	16.019271
"32708"	255.082266	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M-2H+Na"	20.974666
"471823"	372.136066	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M-2H+Na"	20.974666
"848864"	138.028466	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-2H+Na"	20.974666
"1621561"	138.028466	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Na-2H"	20.974666
"108431"	134.034863	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M-H+Cl"	33.962126
"542034"	192.561763	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M-H+Cl"	33.962126
"935547"	75.507963	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-H+Cl"	33.962126
"276291"	269.077002	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+Cl"	34.969402
"666526"	386.130802	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+Cl"	34.969402
"1282210"	152.023202	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Cl"	34.969402
"29140"	271.056206	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M-2H+K"	36.948606
"464328"	388.110006	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M-2H+K"	36.948606
"841041"	154.002406	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-2H+K"	36.948606
"1562339"	154.002406	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+K-2H"	36.948606
"949129"	162.051994	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-H+HCOOH"	44.998194
"364063"	279.105801	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+HCOOH-H"	44.998201
"346608"	293.121451	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+Hac-H"	59.013851
"1493619"	176.067651	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Hac-H"	59.013851
"958965"	184.033951	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-H+NaCOOH"	66.980151
"110310"	152.023202	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+2Cl"	69.938804
"550224"	210.550102	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+2Cl"	69.938804
"1021824"	93.496302	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2Cl"	69.938804
"1242255"	195.972685	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Br"	78.918885
"1315646"	198.028672	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Cl+HCOOH"	80.974872
"1327675"	220.010629	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Cl+NaCOOH"	102.956829
"922013"	230.039386	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M-H+CF3COOH"	112.985586
"1302003"	266.016064	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Cl+CF3COOH"	148.962264
"1381866"	82.041124	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H-2H2O"	-35.012676
"1396565"	100.0511	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H-H2O"	-17.0027
"297347"	235.114876	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+H"	1.007276
"685392"	352.168676	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+H"	1.007276
"1362836"	118.061076	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H"	1.007276
"140100"	118.061076	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+2H"	2.014552
"578568"	176.587976	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+2H"	2.014552
"1046272"	59.534176	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2H"	2.014552
"219277"	79.0431426666667	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+3H"	3.021828
"653735"	118.061076	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+3H"	3.021828
"1170767"	40.0252093333333	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+3H"	3.021828
"438049"	252.141423	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+NH4"	18.033823
"798314"	369.195223	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+NH4"	18.033823
"1693552"	135.087623	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+NH4"	18.033823
"342563"	126.5743495	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+H+NH4"	19.041099
"735347"	185.1012495	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+H+NH4"	19.041099
"1490262"	68.0474495	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H+NH4"	19.041099
"405298"	257.096818	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+Na"	22.989218
"767751"	374.150618	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+Na"	22.989218
"1611481"	140.043018	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Na"	22.989218
"319330"	129.052047	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+H+Na"	23.996494
"711749"	187.578947	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+H+Na"	23.996494
"1464475"	70.525147	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H+Na"	23.996494
"1055170"	47.3525233333333	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2H+Na"	25.00377
"1258424"	150.087286	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+CH3OH+H"	33.033486
"381257"	273.070758	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+K"	38.963158
"741159"	390.124558	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+K"	38.963158
"1542117"	156.016958	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+K"	38.963158
"302575"	137.039017	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+H+K"	39.970434
"697183"	195.565917	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+H+K"	39.970434
"1448817"	78.512117	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H+K"	39.970434
"238877"	276.141426	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+ACN+H"	42.033826
"1212685"	159.087626	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+ACN+H"	42.033826
"1194742"	80.047451	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+ACN+2H"	43.041102
"194908"	279.07876	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+2Na-H"	44.97116
"632280"	396.13256	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+2Na-H"	44.97116
"1137973"	162.02496	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2Na-H"	44.97116
"178713"	140.043018	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+2Na"	45.978436
"621557"	198.569918	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+2Na"	45.978436
"1121054"	81.516118	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2Na"	45.978436
"1404213"	54.6798373333333	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H+2Na"	46.985712
"1439615"	164.066546	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H+HCOOH"	47.012746
"230403"	145.07604	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+3H2O+2H"	56.04448
"1514093"	178.11859	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+IsoProp+H"	61.06479
"421435"	148.029988	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+Na+K"	61.952376
"778057"	206.556888	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+Na+K"	61.952376
"1677667"	89.503088	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Na+K"	61.952376
"259083"	298.123368	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+ACN+Na"	64.015768
"1233980"	181.069568	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+ACN+Na"	64.015768
"1722502"	181.093093	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+NH4+HCOOH"	64.039293
"1183847"	62.0071513333333	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+3Na"	68.967654
"1657019"	186.048488	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Na+HCOOH"	68.994688
"167888"	311.02664	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+2K-H"	76.91904
"607448"	428.08044	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+2K-H"	76.91904
"1085763"	193.97284	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2K-H"	76.91904
"153151"	156.016958	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"2M+2K"	77.926316
"583964"	214.543858	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"3M+2K"	77.926316
"1071756"	97.490058	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2K"	77.926316
"1108246"	195.987392	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2K+H"	78.933592
"1336000"	196.075007	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+DMSO+H"	79.021207
"1006354"	200.114176	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2ACN+H"	83.060376
"1526181"	201.107808	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+IsoProp+Na+H"	84.054008
"991171"	100.560726	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+2ACN+2H"	84.067652
"1588345"	202.022428	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+K+HCOOH"	84.968628
"1414495"	232.053938	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+H+CF3COOH"	115.000138
"1149281"	121.074001	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+3ACN+2H"	125.094202
"1711241"	249.080485	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+NH4+CF3COOH"	132.026685
"1649442"	254.03588	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+Na+CF3COOH"	136.98208
"1585452"	270.00982	"C19178"	"N-Nitroso-N-ethylurea"	"C3H7N3O2"	"117.0538"	"M+K+CF3COOH"	152.95602
"811445"	145.8776	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M"	0
"980605"	126.85921	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-H2O-H"	-19.01839
"63089"	96.2444573333333	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M-3H"	-3.021828
"505125"	144.870324	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M-3H"	-3.021828
"882926"	47.6185906666667	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-3H"	-3.021828
"2590"	144.870324	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M-2H"	-2.014552
"442150"	217.809124	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M-2H"	-2.014552
"819590"	71.931524	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-2H"	-2.014552
"81768"	290.747924	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M-H"	-1.007276
"519995"	436.625524	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M-H"	-1.007276
"896701"	144.870324	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-H"	-1.007276
"49862"	307.774471	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M-2H+NH4"	16.019271
"495620"	453.652071	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M-2H+NH4"	16.019271
"866130"	161.896871	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-2H+NH4"	16.019271
"32331"	312.729866	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M-2H+Na"	20.974666
"472375"	458.607466	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M-2H+Na"	20.974666
"849004"	166.852266	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-2H+Na"	20.974666
"1621671"	166.852266	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Na-2H"	20.974666
"108900"	162.858663	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M-H+Cl"	33.962126
"542144"	235.797463	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M-H+Cl"	33.962126
"935658"	89.919863	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-H+Cl"	33.962126
"278588"	326.724602	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+Cl"	34.969402
"666636"	472.602202	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+Cl"	34.969402
"1282320"	180.847002	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Cl"	34.969402
"28157"	328.703806	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M-2H+K"	36.948606
"464438"	474.581406	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M-2H+K"	36.948606
"841151"	182.826206	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-2H+K"	36.948606
"1560263"	182.826206	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+K-2H"	36.948606
"945959"	190.875794	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-H+HCOOH"	44.998194
"364173"	336.753401	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+HCOOH-H"	44.998201
"346354"	350.769051	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+Hac-H"	59.013851
"1493121"	204.891451	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Hac-H"	59.013851
"959320"	212.857751	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-H+NaCOOH"	66.980151
"110656"	180.847002	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+2Cl"	69.938804
"550700"	253.785802	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+2Cl"	69.938804
"1021812"	107.908202	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2Cl"	69.938804
"1242113"	224.796485	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Br"	78.918885
"1313569"	226.852472	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Cl+HCOOH"	80.974872
"1327784"	248.834429	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Cl+NaCOOH"	102.956829
"916655"	258.863186	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M-H+CF3COOH"	112.985586
"1301020"	294.839864	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Cl+CF3COOH"	148.962264
"1375899"	110.864924	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H-2H2O"	-35.012676
"1386834"	128.8749	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H-H2O"	-17.0027
"296362"	292.762476	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+H"	1.007276
"687689"	438.640076	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+H"	1.007276
"1364039"	146.884876	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H"	1.007276
"135835"	146.884876	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+2H"	2.014552
"577583"	219.823676	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+2H"	2.014552
"1050755"	73.946076	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2H"	2.014552
"215377"	98.2590093333333	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+3H"	3.021828
"653845"	146.884876	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+3H"	3.021828
"1176343"	49.6331426666667	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+3H"	3.021828
"438159"	309.789023	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+NH4"	18.033823
"798790"	455.666623	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+NH4"	18.033823
"1694755"	163.911423	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+NH4"	18.033823
"340850"	155.3981495	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+H+NH4"	19.041099
"733270"	228.3369495	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+H+NH4"	19.041099
"1487091"	82.4593495	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H+NH4"	19.041099
"403584"	314.744418	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+Na"	22.989218
"767498"	460.622018	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+Na"	22.989218
"1611591"	168.866818	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Na"	22.989218
"319440"	157.875847	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+H+Na"	23.996494
"712223"	230.814647	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+H+Na"	23.996494
"1467138"	84.937047	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H+Na"	23.996494
"1056010"	56.9604566666667	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2H+Na"	25.00377
"1259506"	178.911086	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+CH3OH+H"	33.033486
"379180"	330.718358	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+K"	38.963158
"739201"	476.595958	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+K"	38.963158
"1540321"	184.840758	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+K"	38.963158
"302685"	165.862817	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+H+K"	39.970434
"694013"	238.801617	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+H+K"	39.970434
"1447834"	92.924017	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H+K"	39.970434
"238623"	333.789026	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+ACN+H"	42.033826
"1212431"	187.911426	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+ACN+H"	42.033826
"1195584"	94.459351	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+ACN+2H"	43.041102
"192467"	336.72636	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+2Na-H"	44.97116
"635307"	482.60396	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+2Na-H"	44.97116
"1139177"	190.84876	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2Na-H"	44.97116
"179919"	168.866818	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+2Na"	45.978436
"621667"	241.805618	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+2Na"	45.978436
"1120070"	95.928018	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2Na"	45.978436
"1403230"	64.2877706666667	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H+2Na"	46.985712
"1444465"	192.890346	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H+HCOOH"	47.012746
"230513"	173.89984	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+3H2O+2H"	56.04448
"1511651"	206.94239	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+IsoProp+H"	61.06479
"419361"	176.853788	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+Na+K"	61.952376
"780354"	249.792588	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+Na+K"	61.952376
"1675592"	103.914988	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Na+K"	61.952376
"261017"	355.770968	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+ACN+Na"	64.015768
"1234820"	209.893368	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+ACN+Na"	64.015768
"1722612"	209.916893	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+NH4+HCOOH"	64.039293
"1186144"	71.6150846666667	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+3Na"	68.967654
"1662961"	214.872288	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Na+HCOOH"	68.994688
"170185"	368.67424	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+2K-H"	76.91904
"607559"	514.55184	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+2K-H"	76.91904
"1090977"	222.79664	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2K-H"	76.91904
"153261"	184.840758	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"2M+2K"	77.926316
"587356"	257.779558	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"3M+2K"	77.926316
"1075147"	111.901958	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2K"	77.926316
"1106170"	224.811192	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2K+H"	78.933592
"1336475"	224.898807	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+DMSO+H"	79.021207
"1007555"	228.937976	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2ACN+H"	83.060376
"1525320"	229.931608	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+IsoProp+Na+H"	84.054008
"990187"	114.972626	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+2ACN+2H"	84.067652
"1593443"	230.846228	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+K+HCOOH"	84.968628
"1414729"	260.877738	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+H+CF3COOH"	115.000138
"1147320"	135.485901	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+3ACN+2H"	125.094202
"1712444"	277.904285	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+NH4+CF3COOH"	132.026685
"1649670"	282.85968	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+Na+CF3COOH"	136.98208
"1585562"	298.83362	"C19179"	"Indium phosphide"	"InP"	"145.8776"	"M+K+CF3COOH"	152.95602
"812648"	198.0905	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M"	0
"979622"	179.07211	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-H2O-H"	-19.01839
"63972"	131.053057333333	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M-3H"	-3.021828
"505235"	197.083224	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M-3H"	-3.021828
"885223"	65.0228906666667	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-3H"	-3.021828
"4159"	197.083224	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M-2H"	-2.014552
"445544"	296.128474	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M-2H"	-2.014552
"821158"	98.037974	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-2H"	-2.014552
"84430"	395.173724	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M-H"	-1.007276
"521807"	593.264224	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M-H"	-1.007276
"898516"	197.083224	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-H"	-1.007276
"51796"	412.200271	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M-2H+NH4"	16.019271
"494636"	610.290771	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M-2H+NH4"	16.019271
"866000"	214.109771	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-2H+NH4"	16.019271
"32682"	417.155666	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M-2H+Na"	20.974666
"472040"	615.246166	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M-2H+Na"	20.974666
"851152"	219.065166	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-2H+Na"	20.974666
"1622874"	219.065166	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Na-2H"	20.974666
"109506"	215.071563	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M-H+Cl"	33.962126
"544442"	314.116813	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M-H+Cl"	33.962126
"937954"	116.026313	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-H+Cl"	33.962126
"277605"	431.150402	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+Cl"	34.969402
"663466"	629.240902	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+Cl"	34.969402
"1280243"	233.059902	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Cl"	34.969402
"23893"	433.129606	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M-2H+K"	36.948606
"464548"	631.220106	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M-2H+K"	36.948606
"843448"	235.039106	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-2H+K"	36.948606
"1561466"	235.039106	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+K-2H"	36.948606
"949349"	243.088694	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-H+HCOOH"	44.998194
"364283"	441.179201	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+HCOOH-H"	44.998201
"346463"	455.194851	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+Hac-H"	59.013851
"1493473"	257.104351	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Hac-H"	59.013851
"959183"	265.070651	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-H+NaCOOH"	66.980151
"110771"	233.059902	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+2Cl"	69.938804
"550689"	332.105152	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+2Cl"	69.938804
"1021758"	134.014652	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2Cl"	69.938804
"1241420"	277.009385	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Br"	78.918885
"1312586"	279.065372	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Cl+HCOOH"	80.974872
"1327894"	301.047329	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Cl+NaCOOH"	102.956829
"916765"	311.076086	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M-H+CF3COOH"	112.985586
"1297848"	347.052764	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Cl+CF3COOH"	148.962264
"1378925"	163.077824	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H-2H2O"	-35.012676
"1390223"	181.0878	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H-H2O"	-17.0027
"293192"	397.188276	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+H"	1.007276
"687799"	595.278776	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+H"	1.007276
"1364149"	199.097776	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H"	1.007276
"139225"	199.097776	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+2H"	2.014552
"579879"	298.143026	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+2H"	2.014552
"1052662"	100.052526	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2H"	2.014552
"217673"	133.067609333333	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+3H"	3.021828
"657235"	199.097776	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+3H"	3.021828
"1176455"	67.0374426666667	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+3H"	3.021828
"439244"	414.214823	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+NH4"	18.033823
"800606"	612.305323	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+NH4"	18.033823
"1694865"	216.124323	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+NH4"	18.033823
"345338"	207.6110495	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+H+NH4"	19.041099
"737390"	306.6562995	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+H+NH4"	19.041099
"1490482"	108.5657995	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H+NH4"	19.041099
"408317"	419.170218	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+Na"	22.989218
"769066"	617.260718	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+Na"	22.989218
"1611701"	221.079718	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Na"	22.989218
"318457"	210.088747	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+H+Na"	23.996494
"711971"	309.133997	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+H+Na"	23.996494
"1464698"	111.043497	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H+Na"	23.996494
"1055026"	74.3647566666667	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2H+Na"	25.00377
"1260711"	231.123986	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+CH3OH+H"	33.033486
"378681"	435.144158	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+K"	38.963158
"738663"	633.234658	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+K"	38.963158
"1540510"	237.053658	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+K"	38.963158
"301702"	218.075717	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+H+K"	39.970434
"694123"	317.120967	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+H+K"	39.970434
"1446851"	119.030467	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H+K"	39.970434
"238734"	438.214826	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+ACN+H"	42.033826
"1213631"	240.124326	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+ACN+H"	42.033826
"1194840"	120.565801	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+ACN+2H"	43.041102
"189535"	441.15216	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+2Na-H"	44.97116
"635415"	639.24266	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+2Na-H"	44.97116
"1138923"	243.06166	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2Na-H"	44.97116
"180026"	221.079718	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+2Na"	45.978436
"620682"	320.124968	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+2Na"	45.978436
"1124188"	122.034468	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2Na"	45.978436
"1404435"	81.6920706666667	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H+2Na"	46.985712
"1438737"	245.103246	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H+HCOOH"	47.012746
"224062"	226.11274	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+3H2O+2H"	56.04448
"1514310"	259.15529	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+IsoProp+H"	61.06479
"412902"	229.066688	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+Na+K"	61.952376
"778272"	328.111938	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+Na+K"	61.952376
"1676796"	130.021438	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Na+K"	61.952376
"263313"	460.196768	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+ACN+Na"	64.015768
"1234200"	262.106268	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+ACN+Na"	64.015768
"1721627"	262.129793	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+NH4+HCOOH"	64.039293
"1188075"	89.0193846666667	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+3Na"	68.967654
"1662341"	267.085188	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Na+HCOOH"	68.994688
"169201"	473.10004	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+2K-H"	76.91904
"607668"	671.19054	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+2K-H"	76.91904
"1091086"	275.00954	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2K-H"	76.91904
"150091"	237.053658	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"2M+2K"	77.926316
"584186"	336.098908	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"3M+2K"	77.926316
"1074164"	138.008408	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2K"	77.926316
"1108468"	277.024092	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2K+H"	78.933592
"1337558"	277.111707	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+DMSO+H"	79.021207
"1007544"	281.150876	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2ACN+H"	83.060376
"1526402"	282.144508	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+IsoProp+Na+H"	84.054008
"990784"	141.079076	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+2ACN+2H"	84.067652
"1595740"	283.059128	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+K+HCOOH"	84.968628
"1417026"	313.090638	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+H+CF3COOH"	115.000138
"1150594"	161.592351	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+3ACN+2H"	125.094202
"1711093"	330.117185	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+NH4+CF3COOH"	132.026685
"1647835"	335.07258	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+Na+CF3COOH"	136.98208
"1585672"	351.04652	"C19180"	"2-Amino-3-methylimidazo45-fquinoline;IQ"	"C11H10N4"	"198.0905"	"M+K+CF3COOH"	152.95602
"811665"	110.0038	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M"	0
"979732"	90.98541	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-H2O-H"	-19.01839
"63961"	72.3285906666667	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M-3H"	-3.021828
"509721"	108.996524	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M-3H"	-3.021828
"885333"	35.6606573333333	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-3H"	-3.021828
"8283"	108.996524	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M-2H"	-2.014552
"443101"	163.998424	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M-2H"	-2.014552
"821998"	53.994624	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-2H"	-2.014552
"80895"	219.000324	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M-H"	-1.007276
"524107"	329.004124	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M-H"	-1.007276
"896114"	108.996524	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-H"	-1.007276
"48258"	236.026871	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M-2H+NH4"	16.019271
"488547"	346.030671	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M-2H+NH4"	16.019271
"864893"	126.023071	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-2H+NH4"	16.019271
"31861"	240.982266	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M-2H+Na"	20.974666
"471703"	350.986066	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M-2H+Na"	20.974666
"850533"	130.978466	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-2H+Na"	20.974666
"1619338"	130.978466	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Na-2H"	20.974666
"109854"	126.984863	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M-H+Cl"	33.962126
"549530"	181.986763	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M-H+Cl"	33.962126
"938064"	71.982963	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-H+Cl"	33.962126
"276621"	254.977002	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+Cl"	34.969402
"665762"	364.980802	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+Cl"	34.969402
"1282541"	144.973202	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Cl"	34.969402
"31056"	256.956206	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M-2H+K"	36.948606
"467939"	366.960006	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M-2H+K"	36.948606
"844649"	146.952406	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-2H+K"	36.948606
"1564856"	146.952406	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+K-2H"	36.948606
"952739"	155.001994	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-H+HCOOH"	44.998194
"366580"	265.005801	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+HCOOH-H"	44.998201
"348275"	279.021451	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+Hac-H"	59.013851
"1493462"	169.017651	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Hac-H"	59.013851
"958930"	176.983951	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-H+NaCOOH"	66.980151
"113556"	144.973202	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+2Cl"	69.938804
"550319"	199.975102	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+2Cl"	69.938804
"1022281"	89.971302	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2Cl"	69.938804
"1243683"	188.922685	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Br"	78.918885
"1307226"	190.978672	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Cl+HCOOH"	80.974872
"1322535"	212.960629	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Cl+NaCOOH"	102.956829
"912621"	222.989386	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M-H+CF3COOH"	112.985586
"1300145"	258.966064	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Cl+CF3COOH"	148.962264
"1376119"	74.991124	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H-2H2O"	-35.012676
"1390335"	93.0011	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H-H2O"	-17.0027
"296582"	221.014876	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+H"	1.007276
"690099"	331.018676	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+H"	1.007276
"1366206"	111.011076	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H"	1.007276
"138607"	111.011076	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+2H"	2.014552
"580478"	166.012976	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+2H"	2.014552
"1049882"	56.009176	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2H"	2.014552
"217783"	74.3431426666667	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+3H"	3.021828
"656250"	111.011076	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+3H"	3.021828
"1174380"	37.6752093333333	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+3H"	3.021828
"436557"	238.041423	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+NH4"	18.033823
"799737"	348.045223	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+NH4"	18.033823
"1692789"	128.037623	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+NH4"	18.033823
"341799"	119.5243495	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+H+NH4"	19.041099
"731303"	174.5262495	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+H+NH4"	19.041099
"1490592"	64.5224495	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H+NH4"	19.041099
"407815"	242.996818	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+Na"	22.989218
"765899"	353.000618	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+Na"	22.989218
"1604280"	132.993018	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Na"	22.989218
"318568"	122.002047	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+H+Na"	23.996494
"710621"	177.003947	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+H+Na"	23.996494
"1465901"	67.000147	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H+Na"	23.996494
"1057323"	45.0025233333333	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2H+Na"	25.00377
"1266291"	143.037286	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+CH3OH+H"	33.033486
"379399"	258.970758	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+K"	38.963158
"738934"	368.974558	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+K"	38.963158
"1540177"	148.966958	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+K"	38.963158
"299988"	129.989017	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+H+K"	39.970434
"691636"	184.990917	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+H+K"	39.970434
"1451336"	74.987117	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H+K"	39.970434
"244314"	262.041426	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+ACN+H"	42.033826
"1210948"	152.037626	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+ACN+H"	42.033826
"1195558"	76.522451	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+ACN+2H"	43.041102
"190130"	264.97876	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+2Na-H"	44.97116
"634433"	374.98256	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+2Na-H"	44.97116
"1139033"	154.97496	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2Na-H"	44.97116
"180137"	132.993018	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+2Na"	45.978436
"624071"	187.994918	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+2Na"	45.978436
"1124297"	77.991118	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2Na"	45.978436
"1405638"	52.3298373333333	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H+2Na"	46.985712
"1438847"	157.016546	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H+HCOOH"	47.012746
"226359"	138.02604	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+3H2O+2H"	56.04448
"1516608"	171.06859	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+IsoProp+H"	61.06479
"417387"	140.979988	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+Na+K"	61.952376
"784825"	195.981888	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+Na+K"	61.952376
"1679093"	85.978088	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Na+K"	61.952376
"262332"	284.023368	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+ACN+Na"	64.015768
"1239048"	174.019568	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+ACN+Na"	64.015768
"1725018"	174.043093	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+NH4+HCOOH"	64.039293
"1185996"	59.6571513333333	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+3Na"	68.967654
"1655888"	178.998488	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Na+HCOOH"	68.994688
"166031"	296.92664	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+2K-H"	76.91904
"605592"	406.93044	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+2K-H"	76.91904
"1092293"	186.92284	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2K-H"	76.91904
"146923"	148.966958	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"2M+2K"	77.926316
"584296"	203.968858	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"3M+2K"	77.926316
"1073181"	93.965058	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2K"	77.926316
"1105296"	188.937392	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2K+H"	78.933592
"1336817"	189.025007	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+DMSO+H"	79.021207
"1007289"	193.064176	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2ACN+H"	83.060376
"1525541"	194.057808	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+IsoProp+Na+H"	84.054008
"991867"	97.035726	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+2ACN+2H"	84.067652
"1588559"	194.972428	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+K+HCOOH"	84.968628
"1423699"	225.003938	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+H+CF3COOH"	115.000138
"1150706"	117.549001	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+3ACN+2H"	125.094202
"1703543"	242.030485	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+NH4+CF3COOH"	132.026685
"1643571"	246.98588	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+Na+CF3COOH"	136.98208
"1575940"	262.95982	"C19181"	"Methyl methanesulfonate;MMS"	"C2H6O3S"	"110.0038"	"M+K+CF3COOH"	152.95602
"812868"	691.5808	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M"	0
"983123"	672.56241	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-H2O-H"	-19.01839
"66990"	460.046590666667	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M-3H"	-3.021828
"512019"	690.573524	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M-3H"	-3.021828
"883258"	229.519657333333	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-3H"	-3.021828
"2197"	690.573524	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M-2H"	-2.014552
"442849"	1036.363924	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M-2H"	-2.014552
"820287"	344.783124	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-2H"	-2.014552
"80279"	1382.154324	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M-H"	-1.007276
"525309"	2073.735124	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M-H"	-1.007276
"899831"	690.573524	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-H"	-1.007276
"47397"	1399.180871	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M-2H+NH4"	16.019271
"487240"	2090.761671	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M-2H+NH4"	16.019271
"864428"	707.600071	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-2H+NH4"	16.019271
"31761"	1404.136266	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M-2H+Na"	20.974666
"471562"	2095.717066	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M-2H+Na"	20.974666
"850643"	712.555466	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-2H+Na"	20.974666
"1620904"	712.555466	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Na-2H"	20.974666
"106920"	708.561863	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M-H+Cl"	33.962126
"545753"	1054.352263	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M-H+Cl"	33.962126
"938173"	362.771463	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-H+Cl"	33.962126
"277827"	1418.131002	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+Cl"	34.969402
"671342"	2109.711802	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+Cl"	34.969402
"1285931"	726.550202	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Cl"	34.969402
"28490"	1420.110206	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M-2H+K"	36.948606
"465862"	2111.691006	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M-2H+K"	36.948606
"844759"	728.529406	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-2H+K"	36.948606
"1563875"	728.529406	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+K-2H"	36.948606
"950663"	736.578994	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-H+HCOOH"	44.998194
"365597"	1428.159801	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+HCOOH-H"	44.998201
"348388"	1442.175451	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+Hac-H"	59.013851
"1492770"	750.594651	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Hac-H"	59.013851
"958569"	758.560951	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-H+NaCOOH"	66.980151
"112574"	726.550202	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+2Cl"	69.938804
"555416"	1072.340602	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+2Cl"	69.938804
"1021552"	380.759802	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2Cl"	69.938804
"1247075"	770.499685	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Br"	78.918885
"1312805"	772.555672	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Cl+HCOOH"	80.974872
"1327022"	794.537629	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Cl+NaCOOH"	102.956829
"920268"	804.566386	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M-H+CF3COOH"	112.985586
"1298069"	840.543064	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Cl+CF3COOH"	148.962264
"1375137"	656.568124	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H-2H2O"	-35.012676
"1393729"	674.5781	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H-H2O"	-17.0027
"294508"	1384.168876	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+H"	1.007276
"686930"	2075.749676	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+H"	1.007276
"1361090"	692.588076	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H"	1.007276
"139448"	692.588076	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+2H"	2.014552
"579736"	1038.378476	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+2H"	2.014552
"1052669"	346.797676	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2H"	2.014552
"219677"	462.061142666667	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+3H"	3.021828
"655267"	692.588076	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+3H"	3.021828
"1173395"	231.534209333333	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+3H"	3.021828
"433386"	1401.195423	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+NH4"	18.033823
"797299"	2092.776223	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+NH4"	18.033823
"1693629"	709.614623	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+NH4"	18.033823
"337899"	701.1013495	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+H+NH4"	19.041099
"736882"	1046.8917495	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+H+NH4"	19.041099
"1486329"	355.3109495	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H+NH4"	19.041099
"402829"	1406.150818	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+Na"	22.989218
"763822"	2097.731618	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+Na"	22.989218
"1611918"	714.570018	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Na"	22.989218
"321957"	703.579047	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+H+Na"	23.996494
"709274"	1049.369447	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+H+Na"	23.996494
"1463822"	357.788647	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H+Na"	23.996494
"1063630"	238.861523333333	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2H+Na"	25.00377
"1265307"	724.614286	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+CH3OH+H"	33.033486
"378053"	1422.124758	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+K"	38.963158
"738568"	2113.705558	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+K"	38.963158
"1539996"	730.543958	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+K"	38.963158
"299128"	711.566017	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+H+K"	39.970434
"695806"	1057.356417	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+H+K"	39.970434
"1450355"	365.775617	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H+K"	39.970434
"238956"	1425.195426	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+ACN+H"	42.033826
"1212761"	733.614626	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+ACN+H"	42.033826
"1195304"	367.310951	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+ACN+2H"	43.041102
"190610"	1428.13276	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+2Na-H"	44.97116
"629440"	2119.71356	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+2Na-H"	44.97116
"1140238"	736.55196	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2Na-H"	44.97116
"180247"	714.570018	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+2Na"	45.978436
"619807"	1060.360418	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+2Na"	45.978436
"1124407"	368.779618	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2Na"	45.978436
"1406842"	246.188837333333	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H+2Na"	46.985712
"1438956"	738.593546	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H+HCOOH"	47.012746
"224283"	719.60304	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+3H2O+2H"	56.04448
"1516718"	752.64559	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+IsoProp+H"	61.06479
"417497"	722.556988	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+Na+K"	61.952376
"780684"	1068.347388	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+Na+K"	61.952376
"1677016"	376.766588	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Na+K"	61.952376
"262442"	1447.177368	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+ACN+Na"	64.015768
"1236243"	755.596568	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+ACN+Na"	64.015768
"1725130"	755.620093	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+NH4+HCOOH"	64.039293
"1189389"	253.516151333333	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+3Na"	68.967654
"1653085"	760.575488	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Na+HCOOH"	68.994688
"164320"	1460.08064	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+2K-H"	76.91904
"606796"	2151.66144	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+2K-H"	76.91904
"1091307"	768.49984	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2K-H"	76.91904
"143139"	730.543958	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"2M+2K"	77.926316
"582453"	1076.334358	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"3M+2K"	77.926316
"1070005"	384.753558	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2K"	77.926316
"1102124"	770.514392	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2K+H"	78.933592
"1336562"	770.602007	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+DMSO+H"	79.021207
"1006548"	774.641176	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2ACN+H"	83.060376
"1525286"	775.634808	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+IsoProp+Na+H"	84.054008
"991734"	387.824226	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+2ACN+2H"	84.067652
"1587167"	776.549428	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+K+HCOOH"	84.968628
"1422716"	806.580938	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+H+CF3COOH"	115.000138
"1149723"	408.337501	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+3ACN+2H"	125.094202
"1703653"	823.607485	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+NH4+CF3COOH"	132.026685
"1643681"	828.56288	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+Na+CF3COOH"	136.98208
"1576050"	844.53682	"C19182"	"Tris(23-dibromopropyl) phosphate"	"C9H15Br6O4P"	"691.5808"	"M+K+CF3COOH"	152.95602
"809698"	195.9509	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M"	0
"975939"	176.93251	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-H2O-H"	-19.01839
"68193"	129.626657333333	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M-3H"	-3.021828
"511034"	194.943624	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M-3H"	-3.021828
"884461"	64.3096906666667	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-3H"	-3.021828
"7409"	194.943624	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M-2H"	-2.014552
"442595"	292.919074	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M-2H"	-2.014552
"820761"	96.968174	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-2H"	-2.014552
"82575"	390.894524	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M-H"	-1.007276
"525420"	586.845424	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M-H"	-1.007276
"897024"	194.943624	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-H"	-1.007276
"47991"	407.921071	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M-2H+NH4"	16.019271
"487792"	603.871971	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M-2H+NH4"	16.019271
"865349"	211.970171	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-2H+NH4"	16.019271
"32400"	412.876466	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M-2H+Na"	20.974666
"472202"	608.827366	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M-2H+Na"	20.974666
"852939"	216.925566	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-2H+Na"	20.974666
"1620285"	216.925566	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Na-2H"	20.974666
"99005"	212.931963	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M-H+Cl"	33.962126
"546955"	310.907413	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M-H+Cl"	33.962126
"937190"	114.956513	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-H+Cl"	33.962126
"279029"	426.871202	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+Cl"	34.969402
"674736"	622.822102	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+Cl"	34.969402
"1287022"	230.920302	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Cl"	34.969402
"29939"	428.850406	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M-2H+K"	36.948606
"470711"	624.801306	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M-2H+K"	36.948606
"844872"	232.899506	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-2H+K"	36.948606
"1569090"	232.899506	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+K-2H"	36.948606
"951868"	240.949094	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-H+HCOOH"	44.998194
"368988"	436.900001	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+HCOOH-H"	44.998201
"355059"	450.915651	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+Hac-H"	59.013851
"1496236"	254.964751	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Hac-H"	59.013851
"964869"	262.931051	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-H+NaCOOH"	66.980151
"113777"	230.920302	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+2Cl"	69.938804
"555526"	328.895752	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+2Cl"	69.938804
"1023231"	132.944852	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2Cl"	69.938804
"1244998"	274.869785	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Br"	78.918885
"1311822"	276.925772	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Cl+HCOOH"	80.974872
"1331508"	298.907729	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Cl+NaCOOH"	102.956829
"923659"	308.936486	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M-H+CF3COOH"	112.985586
"1297086"	344.913164	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Cl+CF3COOH"	148.962264
"1377434"	160.938224	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H-2H2O"	-35.012676
"1396025"	178.9482	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H-H2O"	-17.0027
"294617"	392.909076	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+H"	1.007276
"683757"	588.859976	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+H"	1.007276
"1364480"	196.958176	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H"	1.007276
"137370"	196.958176	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+2H"	2.014552
"578023"	294.933626	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+2H"	2.014552
"1051195"	98.982726	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2H"	2.014552
"216910"	131.641209333333	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+3H"	3.021828
"654285"	196.958176	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+3H"	3.021828
"1176422"	66.3242426666667	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+3H"	3.021828
"436776"	409.935623	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+NH4"	18.033823
"797773"	605.886523	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+NH4"	18.033823
"1696168"	213.984723	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+NH4"	18.033823
"344939"	205.4714495	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+H+NH4"	19.041099
"737605"	303.4468995	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+H+NH4"	19.041099
"1488633"	107.4959995	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H+NH4"	19.041099
"405123"	414.891018	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+Na"	22.989218
"766117"	610.841918	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+Na"	22.989218
"1616525"	218.940118	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Na"	22.989218
"326804"	207.949147	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+H+Na"	23.996494
"717766"	305.924597	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+H+Na"	23.996494
"1469401"	109.973697	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H+Na"	23.996494
"1064832"	73.6515566666667	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2H+Na"	25.00377
"1266510"	228.984386	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+CH3OH+H"	33.033486
"378529"	430.864958	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+K"	38.963158
"739158"	626.815858	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+K"	38.963158
"1540483"	234.914058	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+K"	38.963158
"303129"	215.936117	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+H+K"	39.970434
"696645"	313.911567	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+H+K"	39.970434
"1450465"	117.960667	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H+K"	39.970434
"240159"	433.935626	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+ACN+H"	42.033826
"1216150"	237.984726	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+ACN+H"	42.033826
"1195658"	119.496001	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+ACN+2H"	43.041102
"189625"	436.87296	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+2Na-H"	44.97116
"635747"	632.82386	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+2Na-H"	44.97116
"1135244"	240.92206	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2Na-H"	44.97116
"181451"	218.940118	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+2Na"	45.978436
"623198"	316.915568	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+2Na"	45.978436
"1124517"	120.964668	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2Na"	45.978436
"1409138"	80.9788706666667	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H+2Na"	46.985712
"1441252"	242.963646	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H+HCOOH"	47.012746
"224393"	223.97314	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+3H2O+2H"	56.04448
"1516828"	257.01569	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+IsoProp+H"	61.06479
"418700"	226.927088	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+Na+K"	61.952376
"778608"	324.902538	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+Na+K"	61.952376
"1673846"	128.951638	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Na+K"	61.952376
"258179"	455.917568	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+ACN+Na"	64.015768
"1230886"	259.966668	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+ACN+Na"	64.015768
"1715033"	259.990193	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+NH4+HCOOH"	64.039293
"1181116"	88.3061846666667	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+3Na"	68.967654
"1653195"	264.945588	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Na+HCOOH"	68.994688
"158963"	468.82084	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+2K-H"	76.91904
"604719"	664.77174	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+2K-H"	76.91904
"1092511"	272.86994	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2K-H"	76.91904
"150420"	234.914058	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"2M+2K"	77.926316
"585606"	332.889508	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"3M+2K"	77.926316
"1070480"	136.938608	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2K"	77.926316
"1103327"	274.884492	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2K+H"	78.933592
"1335942"	274.972107	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+DMSO+H"	79.021207
"1005849"	279.011276	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2ACN+H"	83.060376
"1524585"	280.004908	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+IsoProp+Na+H"	84.054008
"991844"	140.009276	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+2ACN+2H"	84.067652
"1587317"	280.919528	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+K+HCOOH"	84.968628
"1421733"	310.951038	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+H+CF3COOH"	115.000138
"1150926"	160.522551	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+3ACN+2H"	125.094202
"1703763"	327.977585	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+NH4+CF3COOH"	132.026685
"1643791"	332.93298	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+Na+CF3COOH"	136.98208
"1576160"	348.90692	"C19183"	"Tungsten carbide;WC"	"WC"	"195.9509"	"M+K+CF3COOH"	152.95602
"809808"	105.9418	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M"	0
"983339"	86.92341	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-H2O-H"	-19.01839
"69395"	69.6205906666667	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M-3H"	-3.021828
"510051"	104.934524	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M-3H"	-3.021828
"888944"	34.3066573333333	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-3H"	-3.021828
"8613"	104.934524	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M-2H"	-2.014552
"444891"	157.905424	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M-2H"	-2.014552
"825975"	51.963624	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-2H"	-2.014552
"89247"	210.876324	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M-H"	-1.007276
"528809"	316.818124	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M-H"	-1.007276
"897255"	104.934524	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-H"	-1.007276
"49200"	227.902871	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M-2H+NH4"	16.019271
"489245"	333.844671	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M-2H+NH4"	16.019271
"867416"	121.961071	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-2H+NH4"	16.019271
"32031"	232.858266	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M-2H+Na"	20.974666
"472078"	338.800066	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M-2H+Na"	20.974666
"852684"	126.916466	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-2H+Na"	20.974666
"1620030"	126.916466	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Na-2H"	20.974666
"99844"	122.922863	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M-H+Cl"	33.962126
"545968"	175.893763	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M-H+Cl"	33.962126
"937300"	69.951963	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-H+Cl"	33.962126
"278047"	246.853002	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+Cl"	34.969402
"674724"	352.794802	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+Cl"	34.969402
"1286768"	140.911202	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Cl"	34.969402
"30051"	248.832206	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M-2H+K"	36.948606
"469971"	354.774006	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M-2H+K"	36.948606
"846077"	142.890406	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-2H+K"	36.948606
"1568471"	142.890406	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+K-2H"	36.948606
"954894"	150.939994	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-H+HCOOH"	44.998194
"369098"	256.881801	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+HCOOH-H"	44.998201
"356263"	270.897451	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+Hac-H"	59.013851
"1496346"	164.955651	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Hac-H"	59.013851
"964979"	172.921951	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-H+NaCOOH"	66.980151
"112793"	140.911202	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+2Cl"	69.938804
"555636"	193.882102	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+2Cl"	69.938804
"1024434"	87.940302	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2Cl"	69.938804
"1246201"	184.860685	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Br"	78.918885
"1311932"	186.916672	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Cl+HCOOH"	80.974872
"1331618"	208.898629	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Cl+NaCOOH"	102.956829
"921581"	218.927386	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M-H+CF3COOH"	112.985586
"1299383"	254.904064	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Cl+CF3COOH"	148.962264
"1379731"	70.929124	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H-2H2O"	-35.012676
"1396136"	88.9391	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H-H2O"	-17.0027
"296913"	212.890876	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+H"	1.007276
"684960"	318.832676	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+H"	1.007276
"1365683"	106.949076	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H"	1.007276
"138211"	106.949076	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+2H"	2.014552
"579956"	159.919976	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+2H"	2.014552
"1052278"	53.978176	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2H"	2.014552
"217750"	71.6351426666667	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+3H"	3.021828
"654395"	106.949076	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+3H"	3.021828
"1177632"	36.3212093333333	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+3H"	3.021828
"438713"	229.917423	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+NH4"	18.033823
"798976"	335.859223	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+NH4"	18.033823
"1696405"	123.975623	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+NH4"	18.033823
"342495"	115.4623495	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+H+NH4"	19.041099
"736378"	168.4332495	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+H+NH4"	19.041099
"1490929"	62.4914495	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H+NH4"	19.041099
"406938"	234.872818	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+Na"	22.989218
"766229"	340.814618	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+Na"	22.989218
"1614325"	128.931018	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Na"	22.989218
"326549"	117.940047	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+H+Na"	23.996494
"715692"	170.910947	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+H+Na"	23.996494
"1469511"	64.969147	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H+Na"	23.996494
"1062755"	43.6485233333333	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2H+Na"	25.00377
"1265525"	138.975286	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+CH3OH+H"	33.033486
"379006"	250.846758	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+K"	38.963158
"741091"	356.788558	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+K"	38.963158
"1541687"	144.904958	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+K"	38.963158
"303239"	125.927017	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+H+K"	39.970434
"694567"	178.897917	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+H+K"	39.970434
"1448021"	72.956117	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H+K"	39.970434
"239176"	253.917426	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+ACN+H"	42.033826
"1213341"	147.975626	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+ACN+H"	42.033826
"1195524"	74.491451	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+ACN+2H"	43.041102
"190826"	256.85476	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+2Na-H"	44.97116
"632576"	362.79656	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+2Na-H"	44.97116
"1140458"	150.91296	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2Na-H"	44.97116
"179374"	128.931018	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+2Na"	45.978436
"618205"	181.901918	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+2Na"	45.978436
"1124627"	75.960118	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2Na"	45.978436
"1411435"	50.9758373333333	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H+2Na"	46.985712
"1440269"	152.954546	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H+HCOOH"	47.012746
"229969"	133.96404	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+3H2O+2H"	56.04448
"1518031"	167.00659	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+IsoProp+H"	61.06479
"418810"	136.917988	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+Na+K"	61.952376
"779811"	189.888888	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+Na+K"	61.952376
"1673956"	83.947088	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Na+K"	61.952376
"257561"	275.899368	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+ACN+Na"	64.015768
"1231727"	169.957568	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+ACN+Na"	64.015768
"1719882"	169.981093	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+NH4+HCOOH"	64.039293
"1185967"	58.3031513333333	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+3Na"	68.967654
"1658412"	174.936488	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Na+HCOOH"	68.994688
"165270"	288.80264	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+2K-H"	76.91904
"605560"	394.74444	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+2K-H"	76.91904
"1094808"	182.86084	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2K-H"	76.91904
"152718"	144.904958	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"2M+2K"	77.926316
"592644"	197.875858	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"3M+2K"	77.926316
"1070590"	91.934058	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2K"	77.926316
"1103439"	184.875392	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2K+H"	78.933592
"1337032"	184.963007	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+DMSO+H"	79.021207
"1006536"	189.002176	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2ACN+H"	83.060376
"1526116"	189.995808	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+IsoProp+Na+H"	84.054008
"991836"	95.004726	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+2ACN+2H"	84.067652
"1591807"	190.910428	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+K+HCOOH"	84.968628
"1421842"	220.941938	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+H+CF3COOH"	115.000138
"1153224"	115.518001	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+3ACN+2H"	125.094202
"1698768"	237.968485	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+NH4+CF3COOH"	132.026685
"1643901"	242.92388	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+Na+CF3COOH"	136.98208
"1576270"	258.89782	"C19184"	"Vinyl bromide"	"C2H3Br"	"105.9418"	"M+K+CF3COOH"	152.95602
"806638"	46.0219	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M"	0
"975794"	27.00351	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-H2O-H"	-19.01839
"66225"	29.6739906666667	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M-3H"	-3.021828
"510161"	45.014624	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M-3H"	-3.021828
"886867"	14.3333573333333	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-3H"	-3.021828
"6536"	45.014624	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M-2H"	-2.014552
"447190"	68.025574	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M-2H"	-2.014552
"824991"	22.003674	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-2H"	-2.014552
"89359"	91.036524	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M-H"	-1.007276
"521263"	137.058424	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M-H"	-1.007276
"895781"	45.014624	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-H"	-1.007276
"47606"	108.063071	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M-2H+NH4"	16.019271
"487653"	154.084971	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M-2H+NH4"	16.019271
"865580"	62.041171	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-2H+NH4"	16.019271
"31544"	113.018466	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M-2H+Na"	20.974666
"472552"	159.040366	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M-2H+Na"	20.974666
"853159"	66.996566	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-2H+Na"	20.974666
"1623788"	66.996566	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Na-2H"	20.974666
"99589"	63.002963	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M-H+Cl"	33.962126
"544986"	86.013913	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M-H+Cl"	33.962126
"936315"	39.992013	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-H+Cl"	33.962126
"280343"	127.013202	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+Cl"	34.969402
"674957"	173.035102	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+Cl"	34.969402
"1286634"	80.991302	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Cl"	34.969402
"30402"	128.992406	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M-2H+K"	36.948606
"470570"	175.014306	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M-2H+K"	36.948606
"846550"	82.970506	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-2H+K"	36.948606
"1568217"	82.970506	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+K-2H"	36.948606
"955003"	91.020094	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-H+HCOOH"	44.998194
"372489"	137.042001	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+HCOOH-H"	44.998201
"355280"	151.057651	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+Hac-H"	59.013851
"1501924"	105.035751	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Hac-H"	59.013851
"961810"	113.002051	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-H+NaCOOH"	66.980151
"117279"	80.991302	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+2Cl"	69.938804
"556839"	104.002252	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+2Cl"	69.938804
"1028920"	57.980352	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2Cl"	69.938804
"1247404"	124.940785	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Br"	78.918885
"1313135"	126.996772	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Cl+HCOOH"	80.974872
"1334643"	148.978729	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Cl+NaCOOH"	102.956829
"925702"	159.007486	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M-H+CF3COOH"	112.985586
"1299493"	194.984164	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Cl+CF3COOH"	148.962264
"1380935"	11.009224	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H-2H2O"	-35.012676
"1396611"	29.0192	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H-H2O"	-17.0027
"296659"	93.051076	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+H"	1.007276
"685070"	139.072976	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+H"	1.007276
"1366040"	47.029176	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H"	1.007276
"139415"	47.029176	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+2H"	2.014552
"578972"	70.040126	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+2H"	2.014552
"1051417"	24.018226	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2H"	2.014552
"217860"	31.6885426666667	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+3H"	3.021828
"658882"	47.029176	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+3H"	3.021828
"1177616"	16.3479093333333	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+3H"	3.021828
"438822"	110.077623	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+NH4"	18.033823
"797992"	156.099523	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+NH4"	18.033823
"1696717"	64.055723	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+NH4"	18.033823
"341148"	55.5424495	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+H+NH4"	19.041099
"737581"	78.5533995	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+H+NH4"	19.041099
"1491040"	32.5314995	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H+NH4"	19.041099
"407532"	115.033018	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+Na"	22.989218
"765248"	161.054918	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+Na"	22.989218
"1615532"	69.011118	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Na"	22.989218
"327390"	58.020147	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+H+Na"	23.996494
"717988"	81.031097	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+H+Na"	23.996494
"1470714"	35.009197	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H+Na"	23.996494
"1061771"	23.6752233333333	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2H+Na"	25.00377
"1267822"	79.055386	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+CH3OH+H"	33.033486
"378385"	131.006958	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+K"	38.963158
"741931"	177.028858	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+K"	38.963158
"1542526"	84.985058	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+K"	38.963158
"303346"	66.007117	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+H+K"	39.970434
"694674"	89.018067	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+H+K"	39.970434
"1447402"	42.996167	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H+K"	39.970434
"238191"	134.077626	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+ACN+H"	42.033826
"1213451"	88.055726	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+ACN+H"	42.033826
"1196241"	44.531501	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+ACN+2H"	43.041102
"194221"	137.01496	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+2Na-H"	44.97116
"638156"	183.03686	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+2Na-H"	44.97116
"1140568"	90.99306	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2Na-H"	44.97116
"179484"	69.011118	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+2Na"	45.978436
"617951"	92.022068	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+2Na"	45.978436
"1124737"	46.000168	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2Na"	45.978436
"1411547"	31.0025373333333	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H+2Na"	46.985712
"1443300"	93.034646	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H+HCOOH"	47.012746
"231172"	74.04414	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+3H2O+2H"	56.04448
"1521420"	107.08669	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+IsoProp+H"	61.06479
"415650"	76.998088	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+Na+K"	61.952376
"778100"	100.009038	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+Na+K"	61.952376
"1675160"	53.987138	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Na+K"	61.952376
"263864"	156.059568	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+ACN+Na"	64.015768
"1230741"	110.037668	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+ACN+Na"	64.015768
"1718169"	110.061193	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+NH4+HCOOH"	64.039293
"1182065"	38.3298513333333	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+3Na"	68.967654
"1653051"	115.016588	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Na+HCOOH"	68.994688
"168661"	168.96284	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+2K-H"	76.91904
"608217"	214.98474	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+2K-H"	76.91904
"1092732"	122.94094	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2K-H"	76.91904
"146270"	84.985058	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"2M+2K"	77.926316
"588016"	107.996008	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"3M+2K"	77.926316
"1069728"	61.974108	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2K"	77.926316
"1101725"	124.955492	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2K+H"	78.933592
"1336655"	125.043107	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+DMSO+H"	79.021207
"1007012"	129.082276	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2ACN+H"	83.060376
"1528781"	130.075908	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+IsoProp+Na+H"	84.054008
"994134"	65.044776	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+2ACN+2H"	84.067652
"1591918"	130.990528	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+K+HCOOH"	84.968628
"1423045"	161.022038	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+H+CF3COOH"	115.000138
"1156614"	85.558051	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+3ACN+2H"	125.094202
"1710549"	178.048585	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+NH4+CF3COOH"	132.026685
"1648385"	183.00398	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+Na+CF3COOH"	136.98208
"1576381"	198.97792	"C19185"	"Vinyl fluoride"	"C2H3F"	"46.0219"	"M+K+CF3COOH"	152.95602
"806748"	183.0796	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M"	0
"975177"	164.06121	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-H2O-H"	-19.01839
"66335"	121.045790666667	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M-3H"	-3.021828
"512458"	182.072324	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M-3H"	-3.021828
"888071"	60.0192573333333	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-3H"	-3.021828
"8833"	182.072324	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M-2H"	-2.014552
"447301"	273.612124	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M-2H"	-2.014552
"826196"	90.532524	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-2H"	-2.014552
"88376"	365.151924	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M-H"	-1.007276
"520645"	548.231524	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M-H"	-1.007276
"896621"	182.072324	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-H"	-1.007276
"47594"	382.178471	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M-2H+NH4"	16.019271
"487768"	565.258071	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M-2H+NH4"	16.019271
"864838"	199.098871	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-2H+NH4"	16.019271
"31499"	387.133866	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M-2H+Na"	20.974666
"474004"	570.213466	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M-2H+Na"	20.974666
"857281"	204.054266	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-2H+Na"	20.974666
"1624627"	204.054266	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Na-2H"	20.974666
"98971"	200.060663	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M-H+Cl"	33.962126
"545096"	291.600463	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M-H+Cl"	33.962126
"940800"	108.520863	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-H+Cl"	33.962126
"282792"	401.128602	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+Cl"	34.969402
"675392"	584.208202	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+Cl"	34.969402
"1287594"	218.049002	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Cl"	34.969402
"31001"	403.107806	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M-2H+K"	36.948606
"471215"	586.187406	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M-2H+K"	36.948606
"847024"	220.028206	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-2H+K"	36.948606
"1566502"	220.028206	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+K-2H"	36.948606
"956938"	228.077794	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-H+HCOOH"	44.998194
"374059"	411.157401	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+HCOOH-H"	44.998201
"355390"	425.173051	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+Hac-H"	59.013851
"1503129"	242.093451	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Hac-H"	59.013851
"961920"	250.059751	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-H+NaCOOH"	66.980151
"119576"	218.049002	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+2Cl"	69.938804
"554761"	309.588802	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+2Cl"	69.938804
"1029030"	126.509202	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2Cl"	69.938804
"1245328"	261.998485	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Br"	78.918885
"1311058"	264.054472	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Cl+HCOOH"	80.974872
"1328555"	286.036429	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Cl+NaCOOH"	102.956829
"925083"	296.065186	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M-H+CF3COOH"	112.985586
"1297415"	332.041864	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Cl+CF3COOH"	148.962264
"1381045"	148.066924	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H-2H2O"	-35.012676
"1396966"	166.0769	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H-H2O"	-17.0027
"292759"	367.166476	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+H"	1.007276
"685180"	550.246076	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+H"	1.007276
"1365785"	184.086876	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H"	1.007276
"140499"	184.086876	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+2H"	2.014552
"579083"	275.626676	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+2H"	2.014552
"1049339"	92.547076	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2H"	2.014552
"217120"	123.060342666667	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+3H"	3.021828
"658990"	184.086876	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+3H"	3.021828
"1177119"	62.0338093333333	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+3H"	3.021828
"439419"	384.193023	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+NH4"	18.033823
"800413"	567.272623	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+NH4"	18.033823
"1695654"	201.113423	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+NH4"	18.033823
"342718"	192.6001495	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+H+NH4"	19.041099
"738141"	284.1399495	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+H+NH4"	19.041099
"1492450"	101.0603495	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H+NH4"	19.041099
"407644"	389.148418	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+Na"	22.989218
"765357"	572.228018	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+Na"	22.989218
"1614548"	206.068818	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Na"	22.989218
"326772"	195.077847	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+H+Na"	23.996494
"713726"	286.617647	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+H+Na"	23.996494
"1467547"	103.538047	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H+Na"	23.996494
"1061883"	69.3611233333333	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2H+Na"	25.00377
"1269028"	216.113086	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+CH3OH+H"	33.033486
"378130"	405.122358	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+K"	38.963158
"739730"	588.201958	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+K"	38.963158
"1543000"	222.042758	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+K"	38.963158
"301270"	203.064817	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+H+K"	39.970434
"693326"	294.604617	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+H+K"	39.970434
"1451888"	111.525017	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H+K"	39.970434
"240490"	408.193026	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+ACN+H"	42.033826
"1215385"	225.113426	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+ACN+H"	42.033826
"1198178"	113.060351	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+ACN+2H"	43.041102
"194331"	411.13036	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+2Na-H"	44.97116
"643861"	594.20996	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+2Na-H"	44.97116
"1140678"	228.05076	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2Na-H"	44.97116
"179594"	206.068818	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+2Na"	45.978436
"620247"	297.608618	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+2Na"	45.978436
"1130073"	114.529018	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2Na"	45.978436
"1410563"	76.6884373333333	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H+2Na"	46.985712
"1444503"	230.092346	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H+HCOOH"	47.012746
"231282"	211.10184	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+3H2O+2H"	56.04448
"1521530"	244.14439	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+IsoProp+H"	61.06479
"419767"	214.055788	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+Na+K"	61.952376
"780035"	305.595588	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+Na+K"	61.952376
"1677455"	122.515988	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Na+K"	61.952376
"262883"	430.174968	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+ACN+Na"	64.015768
"1232309"	247.095368	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+ACN+Na"	64.015768
"1717916"	247.118893	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+NH4+HCOOH"	64.039293
"1185457"	84.0157513333333	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+3Na"	68.967654
"1652067"	252.074288	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Na+HCOOH"	68.994688
"165491"	443.07824	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+2K-H"	76.91904
"605048"	626.15784	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+2K-H"	76.91904
"1093935"	259.99864	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2K-H"	76.91904
"147473"	222.042758	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"2M+2K"	77.926316
"588126"	313.582558	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"3M+2K"	77.926316
"1068623"	130.502958	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2K"	77.926316
"1100744"	262.013192	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2K+H"	78.933592
"1336646"	262.100807	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+DMSO+H"	79.021207
"1006391"	266.139976	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2ACN+H"	83.060376
"1525612"	267.133608	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+IsoProp+Na+H"	84.054008
"998621"	133.573626	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+2ACN+2H"	84.067652
"1595310"	268.048228	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+K+HCOOH"	84.968628
"1425345"	298.079738	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+H+CF3COOH"	115.000138
"1158912"	154.086901	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+3ACN+2H"	125.094202
"1706284"	315.106285	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+NH4+CF3COOH"	132.026685
"1647402"	320.06168	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+Na+CF3COOH"	136.98208
"1576491"	336.03562	"C19186"	"2-Amino-9H-pyrido23-bindole;2-Amino-alpha-carboline;A-alpha-C"	"C11H9N3"	"183.0796"	"M+K+CF3COOH"	152.95602
"806860"	197.0953	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M"	0
"980392"	178.07691	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-H2O-H"	-19.01839
"67540"	130.389590666667	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M-3H"	-3.021828
"509288"	196.088024	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M-3H"	-3.021828
"881622"	64.6911573333333	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-3H"	-3.021828
"1289"	196.088024	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M-2H"	-2.014552
"445224"	294.635674	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M-2H"	-2.014552
"826307"	97.540374	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-2H"	-2.014552
"87394"	393.183324	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M-H"	-1.007276
"519660"	590.278624	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M-H"	-1.007276
"896248"	196.088024	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-H"	-1.007276
"47704"	410.209871	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M-2H+NH4"	16.019271
"487996"	607.305171	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M-2H+NH4"	16.019271
"864456"	213.114571	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-2H+NH4"	16.019271
"31792"	415.165266	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M-2H+Na"	20.974666
"475209"	612.260566	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M-2H+Na"	20.974666
"855205"	218.069966	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-2H+Na"	20.974666
"1623279"	218.069966	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Na-2H"	20.974666
"103460"	214.076363	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M-H+Cl"	33.962126
"544117"	312.624013	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M-H+Cl"	33.962126
"937634"	115.528713	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-H+Cl"	33.962126
"278377"	429.160002	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+Cl"	34.969402
"673958"	626.255302	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+Cl"	34.969402
"1287216"	232.064702	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Cl"	34.969402
"29045"	431.139206	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M-2H+K"	36.948606
"470426"	628.234506	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M-2H+K"	36.948606
"843125"	234.043906	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-2H+K"	36.948606
"1564425"	234.043906	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+K-2H"	36.948606
"955955"	242.093494	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-H+HCOOH"	44.998194
"371252"	439.188801	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+HCOOH-H"	44.998201
"355500"	453.204451	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+Hac-H"	59.013851
"1502144"	256.109151	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Hac-H"	59.013851
"965310"	264.075451	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-H+NaCOOH"	66.980151
"116405"	232.064702	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+2Cl"	69.938804
"557059"	330.612352	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+2Cl"	69.938804
"1030233"	133.517052	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2Cl"	69.938804
"1245437"	276.014185	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Br"	78.918885
"1318098"	278.070172	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Cl+HCOOH"	80.974872
"1333042"	300.052129	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Cl+NaCOOH"	102.956829
"923006"	310.080886	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M-H+CF3COOH"	112.985586
"1298622"	346.057564	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Cl+CF3COOH"	148.962264
"1380063"	162.082624	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H-2H2O"	-35.012676
"1395371"	180.0926	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H-H2O"	-17.0027
"297856"	395.197876	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+H"	1.007276
"690034"	592.293176	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+H"	1.007276
"1363826"	198.102576	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H"	1.007276
"136716"	198.102576	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+2H"	2.014552
"577368"	296.650226	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+2H"	2.014552
"1050302"	99.554926	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2H"	2.014552
"215163"	132.404142666667	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+3H"	3.021828
"657283"	198.102576	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+3H"	3.021828
"1173944"	66.7057093333333	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+3H"	3.021828
"438558"	412.224423	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+NH4"	18.033823
"798942"	609.319723	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+NH4"	18.033823
"1694180"	215.129123	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+NH4"	18.033823
"344652"	206.6158495	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+H+NH4"	19.041099
"736712"	305.1634995	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+H+NH4"	19.041099
"1490169"	108.0681995	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H+NH4"	19.041099
"404472"	417.179818	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+Na"	22.989218
"765465"	614.275118	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+Na"	22.989218
"1613564"	220.084518	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Na"	22.989218
"322510"	209.093547	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+H+Na"	23.996494
"718938"	307.641197	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+H+Na"	23.996494
"1465467"	110.545897	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H+Na"	23.996494
"1061991"	74.0330233333333	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2H+Na"	25.00377
"1258567"	230.128786	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+CH3OH+H"	33.033486
"377219"	433.153758	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+K"	38.963158
"738562"	630.249058	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+K"	38.963158
"1540317"	236.058458	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+K"	38.963158
"299193"	217.080517	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+H+K"	39.970434
"693073"	315.628167	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+H+K"	39.970434
"1447986"	118.532867	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H+K"	39.970434
"240600"	436.224426	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+ACN+H"	42.033826
"1213674"	239.129126	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+ACN+H"	42.033826
"1201571"	120.068201	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+ACN+2H"	43.041102
"198816"	439.16176	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+2Na-H"	44.97116
"637282"	636.25706	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+2Na-H"	44.97116
"1139695"	242.06646	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2Na-H"	44.97116
"182985"	220.084518	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+2Na"	45.978436
"623639"	318.632168	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+2Na"	45.978436
"1123865"	121.536868	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2Na"	45.978436
"1410674"	81.3603373333333	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H+2Na"	46.985712
"1436230"	244.108046	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H+HCOOH"	47.012746
"227746"	225.11754	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+3H2O+2H"	56.04448
"1520547"	258.16009	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+IsoProp+H"	61.06479
"420237"	228.071488	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+Na+K"	61.952376
"775771"	326.619138	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+Na+K"	61.952376
"1675378"	129.523838	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Na+K"	61.952376
"261899"	458.206368	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+ACN+Na"	64.015768
"1232419"	261.111068	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+ACN+Na"	64.015768
"1717296"	261.134593	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+NH4+HCOOH"	64.039293
"1183381"	88.6876513333333	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+3Na"	68.967654
"1652545"	266.089988	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Na+HCOOH"	68.994688
"163415"	471.10964	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+2K-H"	76.91904
"604067"	668.20494	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+2K-H"	76.91904
"1089672"	274.01434	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2K-H"	76.91904
"148678"	236.058458	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"2M+2K"	77.926316
"586050"	334.606108	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"3M+2K"	77.926316
"1068526"	137.510808	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2K"	77.926316
"1101219"	276.028892	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2K+H"	78.933592
"1337973"	276.116507	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+DMSO+H"	79.021207
"1009784"	280.155676	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2ACN+H"	83.060376
"1525723"	281.149308	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+IsoProp+Na+H"	84.054008
"999824"	140.581476	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+2ACN+2H"	84.067652
"1595420"	282.063928	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+K+HCOOH"	84.968628
"1425455"	312.095438	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+H+CF3COOH"	115.000138
"1159022"	161.094751	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+3ACN+2H"	125.094202
"1711498"	329.121985	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+NH4+CF3COOH"	132.026685
"1647512"	334.07738	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+Na+CF3COOH"	136.98208
"1586442"	350.05132	"C19187"	"para-Aminoazobenzene;4-Aminoazobenzene;Aniline yellow"	"C12H11N3"	"197.0953"	"M+K+CF3COOH"	152.95602
"816952"	225.1266	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M"	0
"989129"	206.10821	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-H2O-H"	-19.01839
"68743"	149.077124	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M-3H"	-3.021828
"511584"	224.119324	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M-3H"	-3.021828
"886109"	74.034924	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-3H"	-3.021828
"6868"	224.119324	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M-2H"	-2.014552
"447521"	336.682624	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M-2H"	-2.014552
"823136"	111.556024	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-2H"	-2.014552
"89691"	449.245924	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M-H"	-1.007276
"520499"	674.372524	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M-H"	-1.007276
"900490"	224.119324	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-H"	-1.007276
"49399"	466.272471	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M-2H+NH4"	16.019271
"488349"	691.399071	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M-2H+NH4"	16.019271
"865178"	241.145871	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-2H+NH4"	16.019271
"31817"	471.227866	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M-2H+Na"	20.974666
"472524"	696.354466	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M-2H+Na"	20.974666
"861875"	246.101266	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-2H+Na"	20.974666
"1629221"	246.101266	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Na-2H"	20.974666
"104662"	242.107663	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M-H+Cl"	33.962126
"544228"	354.670963	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M-H+Cl"	33.962126
"939809"	129.544363	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-H+Cl"	33.962126
"280555"	485.222602	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+Cl"	34.969402
"672976"	710.349202	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+Cl"	34.969402
"1286600"	260.096002	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Cl"	34.969402
"31140"	487.201806	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M-2H+K"	36.948606
"471300"	712.328406	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M-2H+K"	36.948606
"846881"	262.075206	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-2H+K"	36.948606
"1569278"	262.075206	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+K-2H"	36.948606
"957768"	270.124794	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-H+HCOOH"	44.998194
"373915"	495.251401	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+HCOOH-H"	44.998201
"358163"	509.267051	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+Hac-H"	59.013851
"1501162"	284.140451	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Hac-H"	59.013851
"969796"	292.106751	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-H+NaCOOH"	66.980151
"119797"	260.096002	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+2Cl"	69.938804
"558264"	372.659302	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+2Cl"	69.938804
"1028158"	147.532702	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2Cl"	69.938804
"1246640"	304.045485	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Br"	78.918885
"1319860"	306.101472	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Cl+HCOOH"	80.974872
"1335453"	328.083429	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Cl+NaCOOH"	102.956829
"926645"	338.112186	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M-H+CF3COOH"	112.985586
"1296545"	374.088864	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Cl+CF3COOH"	148.962264
"1377985"	190.113924	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H-2H2O"	-35.012676
"1395481"	208.1239	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H-H2O"	-17.0027
"294073"	451.260476	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+H"	1.007276
"688680"	676.387076	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+H"	1.007276
"1366856"	226.133876	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H"	1.007276
"137920"	226.133876	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+2H"	2.014552
"580767"	338.697176	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+2H"	2.014552
"1050652"	113.570576	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2H"	2.014552
"219043"	151.091676	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+3H"	3.021828
"659217"	226.133876	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+3H"	3.021828
"1175147"	76.049476	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+3H"	3.021828
"439516"	468.287023	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+NH4"	18.033823
"800759"	693.413623	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+NH4"	18.033823
"1696480"	243.160423	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+NH4"	18.033823
"344032"	234.6471495	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+H+NH4"	19.041099
"736340"	347.2104495	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+H+NH4"	19.041099
"1490643"	122.0838495	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H+NH4"	19.041099
"406769"	473.242418	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+Na"	22.989218
"766669"	698.369018	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+Na"	22.989218
"1614766"	248.115818	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Na"	22.989218
"326990"	237.124847	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+H+Na"	23.996494
"720508"	349.688147	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+H+Na"	23.996494
"1469952"	124.561547	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H+Na"	23.996494
"1059917"	83.37679	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2H+Na"	25.00377
"1263783"	258.160086	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+CH3OH+H"	33.033486
"381269"	489.216358	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+K"	38.963158
"739710"	714.342958	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+K"	38.963158
"1541032"	264.089758	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+K"	38.963158
"298622"	245.111817	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+H+K"	39.970434
"692089"	357.675117	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+H+K"	39.970434
"1448827"	132.548517	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H+K"	39.970434
"240711"	492.287026	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+ACN+H"	42.033826
"1213422"	267.160426	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+ACN+H"	42.033826
"1197307"	134.083851	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+ACN+2H"	43.041102
"192364"	495.22436	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+2Na-H"	44.97116
"636299"	720.35096	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+2Na-H"	44.97116
"1136525"	270.09776	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2Na-H"	44.97116
"182003"	248.115818	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+2Na"	45.978436
"625936"	360.679118	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+2Na"	45.978436
"1129811"	135.552518	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2Na"	45.978436
"1408595"	90.704104	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H+2Na"	46.985712
"1442901"	272.139346	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H+HCOOH"	47.012746
"232597"	253.14884	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+3H2O+2H"	56.04448
"1521751"	286.19139	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+IsoProp+H"	61.06479
"421440"	256.102788	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+Na+K"	61.952376
"778069"	368.666088	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+Na+K"	61.952376
"1676948"	143.539488	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Na+K"	61.952376
"263102"	514.268968	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+ACN+Na"	64.015768
"1234718"	289.142368	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+ACN+Na"	64.015768
"1722510"	289.165893	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+NH4+HCOOH"	64.039293
"1187865"	98.031418	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+3Na"	68.967654
"1658852"	294.121288	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Na+HCOOH"	68.994688
"167899"	527.17224	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+2K-H"	76.91904
"601991"	752.29884	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+2K-H"	76.91904
"1089782"	302.04564	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2K-H"	76.91904
"150975"	264.089758	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"2M+2K"	77.926316
"590534"	376.653058	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"3M+2K"	77.926316
"1068966"	151.526458	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2K"	77.926316
"1101450"	304.060192	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2K+H"	78.933592
"1339176"	304.147807	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+DMSO+H"	79.021207
"1006975"	308.186976	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2ACN+H"	83.060376
"1528020"	309.180608	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+IsoProp+Na+H"	84.054008
"998840"	154.597126	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+2ACN+2H"	84.067652
"1596623"	310.095228	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+K+HCOOH"	84.968628
"1426658"	340.126738	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+H+CF3COOH"	115.000138
"1159132"	175.110401	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+3ACN+2H"	125.094202
"1710879"	357.153285	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+NH4+CF3COOH"	132.026685
"1649445"	362.10868	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+Na+CF3COOH"	136.98208
"1586552"	378.08262	"C19188"	"ortho-Aminoazotoluene;CI Solvent Yellow 3"	"C14H15N3"	"225.1266"	"M+K+CF3COOH"	152.95602
"810358"	212.0004	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M"	0
"980609"	192.98201	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-H2O-H"	-19.01839
"69947"	140.326324	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M-3H"	-3.021828
"511695"	210.993124	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M-3H"	-3.021828
"882938"	69.659524	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-3H"	-3.021828
"2605"	210.993124	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M-2H"	-2.014552
"443258"	316.993324	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M-2H"	-2.014552
"818264"	104.992924	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-2H"	-2.014552
"84332"	422.993524	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M-H"	-1.007276
"519512"	634.993924	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M-H"	-1.007276
"896465"	210.993124	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-H"	-1.007276
"47799"	440.020071	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M-2H+NH4"	16.019271
"487677"	652.020471	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M-2H+NH4"	16.019271
"865035"	228.019671	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-2H+NH4"	16.019271
"32205"	444.975466	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M-2H+Na"	20.974666
"471890"	656.975866	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M-2H+Na"	20.974666
"861985"	232.975066	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-2H+Na"	20.974666
"1629331"	232.975066	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Na-2H"	20.974666
"107689"	228.981463	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M-H+Cl"	33.962126
"545795"	334.981663	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M-H+Cl"	33.962126
"938945"	122.981263	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-H+Cl"	33.962126
"278599"	458.970202	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+Cl"	34.969402
"672114"	670.970602	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+Cl"	34.969402
"1286705"	246.969802	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Cl"	34.969402
"28532"	460.949406	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M-2H+K"	36.948606
"469553"	672.949806	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M-2H+K"	36.948606
"844438"	248.949006	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-2H+K"	36.948606
"1564644"	248.949006	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+K-2H"	36.948606
"952527"	256.998594	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-H+HCOOH"	44.998194
"369648"	468.999001	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+HCOOH-H"	44.998201
"353531"	483.014651	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+Hac-H"	59.013851
"1503455"	271.014251	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Hac-H"	59.013851
"965530"	278.980551	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-H+NaCOOH"	66.980151
"114437"	246.969802	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+2Cl"	69.938804
"553999"	352.970002	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+2Cl"	69.938804
"1029361"	140.969602	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2Cl"	69.938804
"1245657"	290.919285	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Br"	78.918885
"1319052"	292.975272	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Cl+HCOOH"	80.974872
"1334967"	314.957229	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Cl+NaCOOH"	102.956829
"926147"	324.985986	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M-H+CF3COOH"	112.985586
"1298841"	360.962664	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Cl+CF3COOH"	148.962264
"1374815"	176.987724	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H-2H2O"	-35.012676
"1393404"	194.9977	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H-H2O"	-17.0027
"294183"	425.008076	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+H"	1.007276
"687333"	637.008476	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+H"	1.007276
"1362955"	213.007676	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H"	1.007276
"136937"	213.007676	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+2H"	2.014552
"581228"	319.007876	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+2H"	2.014552
"1049669"	107.007476	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2H"	2.014552
"219517"	142.340876	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+3H"	3.021828
"657131"	213.007676	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+3H"	3.021828
"1175257"	71.674076	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+3H"	3.021828
"438288"	442.034623	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+NH4"	18.033823
"801154"	654.035023	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+NH4"	18.033823
"1695741"	230.034223	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+NH4"	18.033823
"344143"	221.5209495	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+H+NH4"	19.041099
"736935"	327.5211495	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+H+NH4"	19.041099
"1491119"	115.5207495	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H+NH4"	19.041099
"407732"	446.990018	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+Na"	22.989218
"768239"	658.990418	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+Na"	22.989218
"1614877"	234.989618	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Na"	22.989218
"324914"	223.998647	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+H+Na"	23.996494
"721832"	329.998847	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+H+Na"	23.996494
"1472249"	117.998447	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H+Na"	23.996494
"1062214"	79.00139	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2H+Na"	25.00377
"1269360"	245.033886	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+CH3OH+H"	33.033486
"384659"	462.963958	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+K"	38.963158
"740545"	674.964358	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+K"	38.963158
"1541140"	250.963558	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+K"	38.963158
"298963"	231.985617	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+H+K"	39.970434
"694387"	337.985817	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+H+K"	39.970434
"1448937"	125.985417	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H+K"	39.970434
"243006"	466.034626	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+ACN+H"	42.033826
"1213166"	254.034226	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+ACN+H"	42.033826
"1201792"	127.520751	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+ACN+2H"	43.041102
"192838"	468.97196	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+2Na-H"	44.97116
"638596"	680.97236	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+2Na-H"	44.97116
"1139915"	256.97156	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2Na-H"	44.97116
"182113"	234.989618	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+2Na"	45.978436
"625682"	340.989818	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+2Na"	45.978436
"1130042"	128.989418	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2Na"	45.978436
"1407612"	86.328704	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H+2Na"	46.985712
"1442647"	259.013146	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H+HCOOH"	47.012746
"230519"	240.02264	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+3H2O+2H"	56.04448
"1521861"	273.06519	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+IsoProp+H"	61.06479
"421550"	242.976588	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+Na+K"	61.952376
"780365"	348.976788	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+Na+K"	61.952376
"1675600"	136.976388	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Na+K"	61.952376
"262847"	488.016568	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+ACN+Na"	64.015768
"1235921"	276.016168	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+ACN+Na"	64.015768
"1721527"	276.039693	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+NH4+HCOOH"	64.039293
"1186883"	93.656018	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+3Na"	68.967654
"1658963"	280.995088	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Na+HCOOH"	68.994688
"167645"	500.91984	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+2K-H"	76.91904
"605381"	712.92024	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+2K-H"	76.91904
"1089892"	288.91944	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2K-H"	76.91904
"149991"	250.963558	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"2M+2K"	77.926316
"584083"	356.963758	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"3M+2K"	77.926316
"1068527"	144.963358	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2K"	77.926316
"1101439"	290.933992	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2K+H"	78.933592
"1340380"	291.021607	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+DMSO+H"	79.021207
"1011096"	295.060776	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2ACN+H"	83.060376
"1529223"	296.054408	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+IsoProp+Na+H"	84.054008
"996764"	148.034026	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+2ACN+2H"	84.067652
"1595640"	296.969028	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+K+HCOOH"	84.968628
"1427862"	327.000538	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+H+CF3COOH"	115.000138
"1157056"	168.547301	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+3ACN+2H"	125.094202
"1710625"	344.027085	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+NH4+CF3COOH"	132.026685
"1648827"	348.98248	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+Na+CF3COOH"	136.98208
"1580101"	364.95642	"C19189"	"2-Amino-5-(5-nitro-2-furyl)-134-thiadiazole;Triafur"	"C6H4N4O3S"	"212.0004"	"M+K+CF3COOH"	152.95602
"812655"	986.7633	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M"	0
"983999"	967.74491	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-H2O-H"	-19.01839
"76620"	656.834924	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M-3H"	-3.021828
"512900"	985.756024	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M-3H"	-3.021828
"881345"	327.913824	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-3H"	-3.021828
"2351"	985.756024	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M-2H"	-2.014552
"447743"	1479.137674	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M-2H"	-2.014552
"820077"	492.374374	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-2H"	-2.014552
"81527"	1972.519324	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M-H"	-1.007276
"522914"	2959.282624	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M-H"	-1.007276
"900715"	985.756024	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-H"	-1.007276
"49623"	1989.545871	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M-2H+NH4"	16.019271
"488085"	2976.309171	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M-2H+NH4"	16.019271
"864389"	1002.782571	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-2H+NH4"	16.019271
"31838"	1994.501266	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M-2H+Na"	20.974666
"471804"	2981.264566	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M-2H+Na"	20.974666
"862096"	1007.737966	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-2H+Na"	20.974666
"1627255"	1007.737966	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Na-2H"	20.974666
"107070"	1003.744363	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M-H+Cl"	33.962126
"546633"	1497.126013	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M-H+Cl"	33.962126
"940758"	510.362713	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-H+Cl"	33.962126
"281381"	2008.496002	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+Cl"	34.969402
"673196"	2995.259302	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+Cl"	34.969402
"1286450"	1021.732702	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Cl"	34.969402
"30831"	2010.475206	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M-2H+K"	36.948606
"471121"	2997.238506	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M-2H+K"	36.948606
"847588"	1023.711906	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-2H+K"	36.948606
"1568035"	1023.711906	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+K-2H"	36.948606
"955918"	1031.761494	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-H+HCOOH"	44.998194
"370853"	2018.524801	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+HCOOH-H"	44.998201
"356922"	2032.540451	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+Hac-H"	59.013851
"1503566"	1045.777151	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Hac-H"	59.013851
"967828"	1053.743451	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-H+NaCOOH"	66.980151
"117827"	1021.732702	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+2Cl"	69.938804
"555202"	1515.114352	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+2Cl"	69.938804
"1032751"	528.351052	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2Cl"	69.938804
"1245039"	1065.682185	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Br"	78.918885
"1319652"	1067.738172	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Cl+HCOOH"	80.974872
"1335051"	1089.720129	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Cl+NaCOOH"	102.956829
"926918"	1099.748886	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M-H+CF3COOH"	112.985586
"1303694"	1135.725564	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Cl+CF3COOH"	148.962264
"1380393"	951.750624	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H-2H2O"	-35.012676
"1395701"	969.7606	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H-H2O"	-17.0027
"295387"	1974.533876	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+H"	1.007276
"690724"	2961.297176	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+H"	1.007276
"1365617"	987.770576	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H"	1.007276
"138140"	987.770576	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+2H"	2.014552
"579890"	1481.152226	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+2H"	2.014552
"1051483"	494.388926	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2H"	2.014552
"215494"	658.849476	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+3H"	3.021828
"655054"	987.770576	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+3H"	3.021828
"1175365"	329.928376	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+3H"	3.021828
"439128"	1991.560423	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+NH4"	18.033823
"800003"	2978.323723	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+NH4"	18.033823
"1695487"	1004.797123	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+NH4"	18.033823
"344620"	996.2838495	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+H+NH4"	19.041099
"738259"	1489.6654995	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+H+NH4"	19.041099
"1491229"	502.9021995	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H+NH4"	19.041099
"404802"	1996.515818	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+Na"	22.989218
"767984"	2983.279118	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+Na"	22.989218
"1617176"	1009.752518	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Na"	22.989218
"328309"	998.761547	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+H+Na"	23.996494
"720367"	1492.143197	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+H+Na"	23.996494
"1475639"	505.379897	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H+Na"	23.996494
"1064511"	337.25569	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2H+Na"	25.00377
"1269470"	1019.796786	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+CH3OH+H"	33.033486
"380395"	2012.489758	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+K"	38.963158
"742484"	2999.253058	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+K"	38.963158
"1542714"	1025.726458	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+K"	38.963158
"309368"	1006.748517	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+H+K"	39.970434
"698508"	1500.130167	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+H+K"	39.970434
"1454515"	513.366867	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H+K"	39.970434
"245305"	2015.560426	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+ACN+H"	42.033826
"1215830"	1028.797126	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+ACN+H"	42.033826
"1205183"	514.902201	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+ACN+2H"	43.041102
"200240"	2018.49776	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+2Na-H"	44.97116
"640894"	3005.26106	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+2Na-H"	44.97116
"1145493"	1031.73446	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2Na-H"	44.97116
"182223"	1009.752518	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+2Na"	45.978436
"626156"	1503.134168	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+2Na"	45.978436
"1127476"	516.370868	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2Na"	45.978436
"1412098"	344.583004	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H+2Na"	46.985712
"1443121"	1033.776046	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H+HCOOH"	47.012746
"234520"	1014.78554	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+3H2O+2H"	56.04448
"1522943"	1047.82809	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+IsoProp+H"	61.06479
"423122"	1017.739488	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+Na+K"	61.952376
"781569"	1511.121138	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+Na+K"	61.952376
"1677896"	524.357838	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Na+K"	61.952376
"264052"	2037.542368	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+ACN+Na"	64.015768
"1234938"	1050.779068	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+ACN+Na"	64.015768
"1722729"	1050.802593	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+NH4+HCOOH"	64.039293
"1188086"	351.910318	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+3Na"	68.967654
"1660896"	1055.757988	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Na+HCOOH"	68.994688
"169578"	2050.44564	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+2K-H"	76.91904
"604398"	3037.20894	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+2K-H"	76.91904
"1088908"	1063.68234	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2K-H"	76.91904
"147912"	1025.726458	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"2M+2K"	77.926316
"588565"	1519.108108	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"3M+2K"	77.926316
"1069063"	532.344808	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2K"	77.926316
"1100138"	1065.696892	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2K+H"	78.933592
"1349120"	1065.784507	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+DMSO+H"	79.021207
"1013394"	1069.823676	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2ACN+H"	83.060376
"1537960"	1070.817308	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+IsoProp+Na+H"	84.054008
"1004166"	535.415476	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+2ACN+2H"	84.067652
"1601219"	1071.731928	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+K+HCOOH"	84.968628
"1426879"	1101.763438	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+H+CF3COOH"	115.000138
"1161298"	555.928751	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+3ACN+2H"	125.094202
"1710735"	1118.789985	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+NH4+CF3COOH"	132.026685
"1649544"	1123.74538	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+Na+CF3COOH"	136.98208
"1580211"	1139.71932	"C19190"	"Trehalose-66-dibehenate"	"C56H106O13"	"986.7633"	"M+K+CF3COOH"	152.95602
"809485"	123.0684	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M"	0
"977549"	104.05001	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-H2O-H"	-19.01839
"69074"	81.038324	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M-3H"	-3.021828
"511915"	122.061124	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M-3H"	-3.021828
"881820"	40.015524	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-3H"	-3.021828
"6107"	122.061124	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M-2H"	-2.014552
"447853"	183.595324	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M-2H"	-2.014552
"821280"	60.526924	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-2H"	-2.014552
"83458"	245.129524	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M-H"	-1.007276
"523023"	368.197924	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M-H"	-1.007276
"899731"	122.061124	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-H"	-1.007276
"51190"	262.156071	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M-2H+NH4"	16.019271
"487104"	385.224471	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M-2H+NH4"	16.019271
"864441"	139.087671	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-2H+NH4"	16.019271
"31506"	267.111466	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M-2H+Na"	20.974666
"471635"	390.179866	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M-2H+Na"	20.974666
"858927"	144.043066	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-2H+Na"	20.974666
"1629552"	144.043066	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Na-2H"	20.974666
"107180"	140.049463	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M-H+Cl"	33.962126
"549935"	201.583663	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M-H+Cl"	33.962126
"941719"	78.515263	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-H+Cl"	33.962126
"282100"	281.106202	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+Cl"	34.969402
"674522"	404.174602	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+Cl"	34.969402
"1288021"	158.037802	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Cl"	34.969402
"30824"	283.085406	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M-2H+K"	36.948606
"470143"	406.153806	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M-2H+K"	36.948606
"847943"	160.017006	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-2H+K"	36.948606
"1571253"	160.017006	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+K-2H"	36.948606
"957368"	168.066594	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-H+HCOOH"	44.998194
"375337"	291.135001	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+HCOOH-H"	44.998201
"360923"	305.150651	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+Hac-H"	59.013851
"1508216"	182.082251	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Hac-H"	59.013851
"967938"	190.048551	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-H+NaCOOH"	66.980151
"117937"	158.037802	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+2Cl"	69.938804
"555312"	219.572002	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+2Cl"	69.938804
"1032861"	96.503602	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2Cl"	69.938804
"1244785"	201.987285	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Br"	78.918885
"1319798"	204.043272	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Cl+HCOOH"	80.974872
"1335316"	226.025229	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Cl+NaCOOH"	102.956829
"926497"	236.053986	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M-H+CF3COOH"	112.985586
"1301250"	272.030664	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Cl+CF3COOH"	148.962264
"1379410"	88.055724	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H-2H2O"	-35.012676
"1397877"	106.0657	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H-H2O"	-17.0027
"297684"	247.144076	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+H"	1.007276
"689010"	370.212476	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+H"	1.007276
"1366333"	124.075676	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H"	1.007276
"140072"	124.075676	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+2H"	2.014552
"580369"	185.609876	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+2H"	2.014552
"1051714"	62.541476	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2H"	2.014552
"215604"	83.052876	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+3H"	3.021828
"656257"	124.075676	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+3H"	3.021828
"1172195"	42.030076	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+3H"	3.021828
"437656"	264.170623	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+NH4"	18.033823
"800235"	387.239023	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+NH4"	18.033823
"1695959"	141.102223	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+NH4"	18.033823
"345418"	132.5889495	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+H+NH4"	19.041099
"738131"	194.1231495	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+H+NH4"	19.041099
"1490975"	71.0547495	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H+NH4"	19.041099
"407829"	269.126018	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+Na"	22.989218
"769432"	392.194418	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+Na"	22.989218
"1616195"	146.057618	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Na"	22.989218
"327325"	135.066647	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+H+Na"	23.996494
"719749"	196.600847	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+H+Na"	23.996494
"1473931"	73.532447	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H+Na"	23.996494
"1065715"	49.35739	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2H+Na"	25.00377
"1269583"	156.101886	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+CH3OH+H"	33.033486
"379412"	285.099958	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+K"	38.963158
"743688"	408.168358	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+K"	38.963158
"1545741"	162.031558	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+K"	38.963158
"306198"	143.053617	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+H+K"	39.970434
"697526"	204.587817	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+H+K"	39.970434
"1451346"	81.519417	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H+K"	39.970434
"243228"	288.170626	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+ACN+H"	42.033826
"1216304"	165.102226	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+ACN+H"	42.033826
"1205293"	83.054751	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+ACN+2H"	43.041102
"197070"	291.10796	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+2Na-H"	44.97116
"638818"	414.17636	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+2Na-H"	44.97116
"1142323"	168.03956	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2Na-H"	44.97116
"180510"	146.057618	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+2Na"	45.978436
"627359"	207.591818	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+2Na"	45.978436
"1125399"	84.523418	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2Na"	45.978436
"1413181"	56.684704	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H+2Na"	46.985712
"1443231"	170.081146	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H+HCOOH"	47.012746
"232929"	151.09064	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+3H2O+2H"	56.04448
"1523176"	184.13319	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+IsoProp+H"	61.06479
"418491"	154.044588	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+Na+K"	61.952376
"783501"	215.578788	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+Na+K"	61.952376
"1677642"	92.510388	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Na+K"	61.952376
"264891"	310.152568	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+ACN+Na"	64.015768
"1237234"	187.084168	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+ACN+Na"	64.015768
"1721746"	187.107693	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+NH4+HCOOH"	64.039293
"1188195"	64.012018	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+3Na"	68.967654
"1661370"	192.063088	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Na+HCOOH"	68.994688
"169323"	323.05584	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+2K-H"	76.91904
"606695"	446.12424	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+2K-H"	76.91904
"1090111"	199.98744	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2K-H"	76.91904
"146929"	162.031558	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"2M+2K"	77.926316
"588675"	223.565758	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"3M+2K"	77.926316
"1069168"	100.497358	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2K"	77.926316
"1100438"	202.001992	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2K+H"	78.933592
"1350445"	202.089607	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+DMSO+H"	79.021207
"1014598"	206.128776	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2ACN+H"	83.060376
"1538070"	207.122408	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+IsoProp+Na+H"	84.054008
"1005128"	103.568026	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+2ACN+2H"	84.067652
"1601329"	208.037028	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+K+HCOOH"	84.968628
"1429176"	238.068538	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+H+CF3COOH"	115.000138
"1161650"	124.081301	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+3ACN+2H"	125.094202
"1711209"	255.095085	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+NH4+CF3COOH"	132.026685
"1649413"	260.05048	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+Na+CF3COOH"	136.98208
"1580321"	276.02442	"C19191"	"ortho-Anisidine;o-Anisidine"	"C7H9NO"	"123.0684"	"M+K+CF3COOH"	152.95602
"811782"	289.7924	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M"	0
"980940"	270.77401	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-H2O-H"	-19.01839
"69184"	192.187657333333	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M-3H"	-3.021828
"510932"	288.785124	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M-3H"	-3.021828
"885455"	95.5901906666667	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-3H"	-3.021828
"4029"	288.785124	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M-2H"	-2.014552
"445777"	433.681324	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M-2H"	-2.014552
"820298"	143.888924	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-2H"	-2.014552
"78948"	578.577524	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M-H"	-1.007276
"521310"	868.369924	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M-H"	-1.007276
"896315"	288.785124	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-H"	-1.007276
"48383"	595.604071	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M-2H+NH4"	16.019271
"487412"	885.396471	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M-2H+NH4"	16.019271
"867203"	305.811671	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-2H+NH4"	16.019271
"31463"	600.559466	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M-2H+Na"	20.974666
"471518"	890.351866	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M-2H+Na"	20.974666
"860130"	310.767066	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-2H+Na"	20.974666
"1626382"	310.767066	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Na-2H"	20.974666
"108383"	306.773463	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M-H+Cl"	33.962126
"549862"	451.669663	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M-H+Cl"	33.962126
"942312"	161.877263	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-H+Cl"	33.962126
"282495"	614.554202	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+Cl"	34.969402
"675405"	904.346602	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+Cl"	34.969402
"1287164"	324.761802	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Cl"	34.969402
"31384"	616.533406	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M-2H+K"	36.948606
"471105"	906.325806	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M-2H+K"	36.948606
"847897"	326.741006	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-2H+K"	36.948606
"1571201"	326.741006	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+K-2H"	36.948606
"956870"	334.790594	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-H+HCOOH"	44.998194
"373991"	624.583001	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+HCOOH-H"	44.998201
"359819"	638.598651	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+Hac-H"	59.013851
"1508130"	348.806251	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Hac-H"	59.013851
"969872"	356.772551	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-H+NaCOOH"	66.980151
"118047"	324.761802	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+2Cl"	69.938804
"555422"	469.658002	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+2Cl"	69.938804
"1032971"	179.865602	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2Cl"	69.938804
"1244895"	368.711285	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Br"	78.918885
"1319833"	370.767272	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Cl+HCOOH"	80.974872
"1335307"	392.749229	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Cl+NaCOOH"	102.956829
"927041"	402.777986	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M-H+CF3COOH"	112.985586
"1302454"	438.754664	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Cl+CF3COOH"	148.962264
"1379520"	254.779724	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H-2H2O"	-35.012676
"1398109"	272.7897	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H-H2O"	-17.0027
"297430"	580.592076	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+H"	1.007276
"688392"	870.384476	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+H"	1.007276
"1365106"	290.799676	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H"	1.007276
"140182"	290.799676	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+2H"	2.014552
"579022"	435.695876	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+2H"	2.014552
"1051095"	145.903476	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2H"	2.014552
"212434"	194.202209333333	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+3H"	3.021828
"653087"	290.799676	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+3H"	3.021828
"1170119"	97.6047426666667	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+3H"	3.021828
"435579"	597.618623	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+NH4"	18.033823
"800345"	887.411023	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+NH4"	18.033823
"1696312"	307.826223	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+NH4"	18.033823
"341928"	299.3129495	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+H+NH4"	19.041099
"735440"	444.2091495	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+H+NH4"	19.041099
"1491085"	154.4167495	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H+NH4"	19.041099
"401742"	602.574018	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+Na"	22.989218
"767476"	892.366418	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+Na"	22.989218
"1615575"	312.781618	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Na"	22.989218
"326707"	301.790647	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+H+Na"	23.996494
"719128"	446.686847	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+H+Na"	23.996494
"1471491"	156.894447	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H+Na"	23.996494
"1062545"	104.932056666667	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2H+Na"	25.00377
"1267503"	322.825886	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+CH3OH+H"	33.033486
"380980"	618.547958	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+K"	38.963158
"743799"	908.340358	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+K"	38.963158
"1543665"	328.755558	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+K"	38.963158
"307403"	309.777617	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+H+K"	39.970434
"699824"	454.673817	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+H+K"	39.970434
"1451456"	164.881417	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H+K"	39.970434
"241151"	621.618626	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+ACN+H"	42.033826
"1212404"	331.826226	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+ACN+H"	42.033826
"1208683"	166.416751	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+ACN+2H"	43.041102
"197180"	624.55596	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+2Na-H"	44.97116
"638928"	914.34836	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+2Na-H"	44.97116
"1142433"	334.76356	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2Na-H"	44.97116
"180256"	312.781618	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+2Na"	45.978436
"627469"	457.677818	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+2Na"	45.978436
"1126602"	167.885418	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2Na"	45.978436
"1412317"	112.259370666667	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H+2Na"	46.985712
"1442248"	336.805146	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H+HCOOH"	47.012746
"233038"	317.81464	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+3H2O+2H"	56.04448
"1522558"	350.85719	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+IsoProp+H"	61.06479
"419694"	320.768588	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+Na+K"	61.952376
"783975"	465.664788	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+Na+K"	61.952376
"1677023"	175.872388	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Na+K"	61.952376
"264636"	643.600568	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+ACN+Na"	64.015768
"1236251"	353.808168	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+ACN+Na"	64.015768
"1721856"	353.831693	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+NH4+HCOOH"	64.039293
"1189398"	119.586684666667	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+3Na"	68.967654
"1662574"	358.787088	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Na+HCOOH"	68.994688
"169069"	656.50384	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+2K-H"	76.91904
"606805"	946.29624	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+2K-H"	76.91904
"1090221"	366.71144	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2K-H"	76.91904
"147039"	328.755558	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"2M+2K"	77.926316
"588785"	473.651758	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"3M+2K"	77.926316
"1068522"	183.859358	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2K"	77.926316
"1100305"	368.725992	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2K+H"	78.933592
"1351045"	368.813607	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+DMSO+H"	79.021207
"1017989"	372.852776	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2ACN+H"	83.060376
"1539522"	373.846408	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+IsoProp+Na+H"	84.054008
"1005402"	186.930026	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+2ACN+2H"	84.067652
"1601439"	374.761028	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+K+HCOOH"	84.968628
"1429286"	404.792538	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+H+CF3COOH"	115.000138
"1160667"	207.443301	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+3ACN+2H"	125.094202
"1712412"	421.819085	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+NH4+CF3COOH"	132.026685
"1648062"	426.77448	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+Na+CF3COOH"	136.98208
"1580431"	442.74842	"C19192"	"Antimony trioxide"	"Sb2O3"	"289.7924"	"M+K+CF3COOH"	152.95602
"814078"	267.1735	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M"	0
"981050"	248.15511	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-H2O-H"	-19.01839
"71480"	177.108390666667	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M-3H"	-3.021828
"512135"	266.166224	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M-3H"	-3.021828
"884471"	88.0505573333333	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-3H"	-3.021828
"5232"	266.166224	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M-2H"	-2.014552
"445885"	399.752974	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M-2H"	-2.014552
"821500"	132.579474	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-2H"	-2.014552
"78651"	533.339724	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M-H"	-1.007276
"522148"	800.513224	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M-H"	-1.007276
"896910"	266.166224	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-H"	-1.007276
"51408"	550.366271	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M-2H+NH4"	16.019271
"488293"	817.539771	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M-2H+NH4"	16.019271
"867676"	283.192771	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-2H+NH4"	16.019271
"32155"	555.321666	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M-2H+Na"	20.974666
"471761"	822.495166	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M-2H+Na"	20.974666
"850032"	288.148166	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-2H+Na"	20.974666
"1626492"	288.148166	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Na-2H"	20.974666
"97552"	284.154563	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M-H+Cl"	33.962126
"538206"	417.741313	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M-H+Cl"	33.962126
"930630"	150.567813	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-H+Cl"	33.962126
"277936"	569.316402	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+Cl"	34.969402
"674381"	836.489902	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+Cl"	34.969402
"1288281"	302.142902	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Cl"	34.969402
"31343"	571.295606	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M-2H+K"	36.948606
"470362"	838.469106	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M-2H+K"	36.948606
"848162"	304.122106	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-2H+K"	36.948606
"1570435"	304.122106	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+K-2H"	36.948606
"955885"	312.171694	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-H+HCOOH"	44.998194
"374830"	579.345201	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+HCOOH-H"	44.998201
"358710"	593.360851	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+Hac-H"	59.013851
"1507178"	326.187351	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Hac-H"	59.013851
"968158"	334.153651	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-H+NaCOOH"	66.980151
"119252"	302.142902	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+2Cl"	69.938804
"553345"	435.729652	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+2Cl"	69.938804
"1030894"	168.556152	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2Cl"	69.938804
"1245005"	346.092385	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Br"	78.918885
"1319741"	348.148372	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Cl+HCOOH"	80.974872
"1335590"	370.130329	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Cl+NaCOOH"	102.956829
"926711"	380.159086	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M-H+CF3COOH"	112.985586
"1302564"	416.135764	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Cl+CF3COOH"	148.962264
"1381090"	232.160824	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H-2H2O"	-35.012676
"1397125"	250.1708	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H-H2O"	-17.0027
"297907"	535.354276	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+H"	1.007276
"688138"	802.527776	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+H"	1.007276
"1365216"	268.180776	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H"	1.007276
"139686"	268.180776	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+2H"	2.014552
"580706"	401.767526	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+2H"	2.014552
"1046830"	134.594026	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2H"	2.014552
"211449"	179.122942666667	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+3H"	3.021828
"649917"	268.180776	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+3H"	3.021828
"1168041"	90.0651093333333	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+3H"	3.021828
"433499"	552.380823	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+NH4"	18.033823
"797781"	819.554323	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+NH4"	18.033823
"1688641"	285.207323	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+NH4"	18.033823
"341302"	276.6940495	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+H+NH4"	19.041099
"731535"	410.2807995	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+H+NH4"	19.041099
"1485357"	143.1072995	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H+NH4"	19.041099
"405859"	557.336218	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+Na"	22.989218
"758472"	824.509718	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+Na"	22.989218
"1614953"	290.162718	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Na"	22.989218
"323168"	279.171747	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+H+Na"	23.996494
"712308"	412.758497	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+H+Na"	23.996494
"1470503"	145.584997	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H+Na"	23.996494
"1057187"	97.3924233333333	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2H+Na"	25.00377
"1262145"	300.206986	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+CH3OH+H"	33.033486
"377810"	573.310158	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+K"	38.963158
"740262"	840.483658	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+K"	38.963158
"1540976"	306.136658	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+K"	38.963158
"299000"	287.158717	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+H+K"	39.970434
"692151"	420.745467	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+H+K"	39.970434
"1446459"	153.571967	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H+K"	39.970434
"236883"	576.380826	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+ACN+H"	42.033826
"1210808"	309.207326	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+ACN+H"	42.033826
"1198586"	155.107301	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+ACN+2H"	43.041102
"194371"	579.31816	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+2Na-H"	44.97116
"634660"	846.49166	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+2Na-H"	44.97116
"1134886"	312.14466	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2Na-H"	44.97116
"182551"	290.162718	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+2Na"	45.978436
"625758"	423.749468	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+2Na"	45.978436
"1122701"	156.575968	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2Na"	45.978436
"1409144"	104.719737333333	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H+2Na"	46.985712
"1439076"	314.186246	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H+HCOOH"	47.012746
"227676"	295.19574	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+3H2O+2H"	56.04448
"1515737"	328.23829	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+IsoProp+H"	61.06479
"418711"	298.149688	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+Na+K"	61.952376
"776430"	431.736438	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+Na+K"	61.952376
"1674944"	164.562938	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Na+K"	61.952376
"260371"	598.362768	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+ACN+Na"	64.015768
"1235997"	331.189268	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+ACN+Na"	64.015768
"1719779"	331.212793	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+NH4+HCOOH"	64.039293
"1186226"	112.047051333333	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+3Na"	68.967654
"1657214"	336.168188	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Na+HCOOH"	68.994688
"162982"	611.26604	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+2K-H"	76.91904
"601446"	878.43954	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+2K-H"	76.91904
"1088145"	344.09254	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2K-H"	76.91904
"143988"	306.136658	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"2M+2K"	77.926316
"582576"	439.723408	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"3M+2K"	77.926316
"1068774"	172.549908	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2K"	77.926316
"1100415"	346.107092	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2K+H"	78.933592
"1343008"	346.194707	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+DMSO+H"	79.021207
"1011537"	350.233876	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2ACN+H"	83.060376
"1530756"	351.227508	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+IsoProp+Na+H"	84.054008
"995017"	175.620576	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+2ACN+2H"	84.067652
"1594987"	352.142128	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+K+HCOOH"	84.968628
"1420647"	382.173638	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+H+CF3COOH"	115.000138
"1154214"	196.133851	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+3ACN+2H"	125.094202
"1704867"	399.200185	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+NH4+CF3COOH"	132.026685
"1638329"	404.15558	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+Na+CF3COOH"	136.98208
"1572886"	420.12952	"C19193"	"Auramine"	"C17H21N3"	"267.1735"	"M+K+CF3COOH"	152.95602
"814189"	173.0437	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M"	0
"980067"	154.02531	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-H2O-H"	-19.01839
"72685"	114.355190666667	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M-3H"	-3.021828
"512245"	172.036424	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M-3H"	-3.021828
"885675"	56.6739573333333	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-3H"	-3.021828
"7528"	172.036424	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M-2H"	-2.014552
"447088"	258.558274	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M-2H"	-2.014552
"820880"	85.514574	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-2H"	-2.014552
"83787"	345.080124	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M-H"	-1.007276
"523351"	518.123824	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M-H"	-1.007276
"898358"	172.036424	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-H"	-1.007276
"51883"	362.106671	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M-2H+NH4"	16.019271
"491078"	535.150371	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M-2H+NH4"	16.019271
"866814"	189.062971	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-2H+NH4"	16.019271
"32763"	367.062066	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M-2H+Na"	20.974666
"471836"	540.105766	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M-2H+Na"	20.974666
"850506"	194.018366	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-2H+Na"	20.974666
"1623684"	194.018366	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Na-2H"	20.974666
"99849"	190.024763	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M-H+Cl"	33.962126
"536127"	276.546613	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M-H+Cl"	33.962126
"930740"	103.502913	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-H+Cl"	33.962126
"276953"	381.056802	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+Cl"	34.969402
"673400"	554.100502	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+Cl"	34.969402
"1286169"	208.013102	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Cl"	34.969402
"29814"	383.036006	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M-2H+K"	36.948606
"469376"	556.079706	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M-2H+K"	36.948606
"848149"	209.992306	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-2H+K"	36.948606
"1570544"	209.992306	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+K-2H"	36.948606
"954536"	218.041894	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-H+HCOOH"	44.998194
"371292"	391.085601	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+HCOOH-H"	44.998201
"354082"	405.101251	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+Hac-H"	59.013851
"1498541"	232.057551	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Hac-H"	59.013851
"968999"	240.023851	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-H+NaCOOH"	66.980151
"118270"	208.013102	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+2Cl"	69.938804
"560020"	294.534952	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+2Cl"	69.938804
"1027724"	121.491252	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2Cl"	69.938804
"1242927"	251.962585	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Br"	78.918885
"1319609"	254.018572	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Cl+HCOOH"	80.974872
"1335405"	276.000529	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Cl+NaCOOH"	102.956829
"926700"	286.029286	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M-H+CF3COOH"	112.985586
"1303735"	322.005964	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Cl+CF3COOH"	148.962264
"1381326"	138.031024	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H-2H2O"	-35.012676
"1396873"	156.041	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H-H2O"	-17.0027
"295463"	347.094676	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+H"	1.007276
"690764"	520.138376	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+H"	1.007276
"1366708"	174.050976	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H"	1.007276
"139676"	174.050976	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+2H"	2.014552
"578145"	260.572826	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+2H"	2.014552
"1048764"	87.529126	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2H"	2.014552
"211561"	116.369742666667	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+3H"	3.021828
"652215"	174.050976	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+3H"	3.021828
"1172526"	58.6885093333333	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+3H"	3.021828
"436889"	364.121223	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+NH4"	18.033823
"797891"	537.164923	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+NH4"	18.033823
"1689845"	191.077523	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+NH4"	18.033823
"341412"	182.5642495	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+H+NH4"	19.041099
"733833"	269.0860995	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+H+NH4"	19.041099
"1486562"	96.0423995	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H+NH4"	19.041099
"399774"	369.076618	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+Na"	22.989218
"760769"	542.120318	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+Na"	22.989218
"1608867"	196.032918	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Na"	22.989218
"319998"	185.041947	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+H+Na"	23.996494
"714607"	271.563797	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+H+Na"	23.996494
"1471344"	98.520097	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H+Na"	23.996494
"1055111"	66.0158233333333	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2H+Na"	25.00377
"1260069"	206.077186	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+CH3OH+H"	33.033486
"377919"	385.050558	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+K"	38.963158
"740372"	558.094258	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+K"	38.963158
"1543518"	212.006858	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+K"	38.963158
"302152"	193.028917	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+H+K"	39.970434
"695302"	279.550767	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+H+K"	39.970434
"1447663"	106.507067	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H+K"	39.970434
"237722"	388.121226	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+ACN+H"	42.033826
"1210308"	215.077526	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+ACN+H"	42.033826
"1203436"	108.042401	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+ACN+2H"	43.041102
"197399"	391.05856	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+2Na-H"	44.97116
"630762"	564.10226	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+2Na-H"	44.97116
"1136456"	218.01486	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2Na-H"	44.97116
"182661"	196.032918	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+2Na"	45.978436
"624409"	282.554768	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+2Na"	45.978436
"1124634"	109.511068	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2Na"	45.978436
"1408161"	73.3431373333333	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H+2Na"	46.985712
"1437000"	220.056446	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H+HCOOH"	47.012746
"230702"	201.06594	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+3H2O+2H"	56.04448
"1515847"	234.10849	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+IsoProp+H"	61.06479
"411531"	204.019888	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+Na+K"	61.952376
"775446"	290.541738	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+Na+K"	61.952376
"1669588"	117.498038	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Na+K"	61.952376
"259387"	410.103168	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+ACN+Na"	64.015768
"1233189"	237.059468	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+ACN+Na"	64.015768
"1717702"	237.082993	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+NH4+HCOOH"	64.039293
"1183056"	80.6704513333333	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+3Na"	68.967654
"1655137"	242.038388	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Na+HCOOH"	68.994688
"159810"	423.00644	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+2K-H"	76.91904
"601556"	596.05014	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+2K-H"	76.91904
"1084966"	249.96274	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2K-H"	76.91904
"145070"	212.006858	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"2M+2K"	77.926316
"581746"	298.528708	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"3M+2K"	77.926316
"1068723"	125.485008	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2K"	77.926316
"1100648"	251.977292	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2K+H"	78.933592
"1344212"	252.064907	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+DMSO+H"	79.021207
"1011647"	256.104076	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2ACN+H"	83.060376
"1527586"	257.097708	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+IsoProp+Na+H"	84.054008
"990994"	128.555676	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+2ACN+2H"	84.067652
"1591816"	258.012328	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+K+HCOOH"	84.968628
"1418569"	288.043838	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+H+CF3COOH"	115.000138
"1154324"	149.068951	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+3ACN+2H"	125.094202
"1704977"	305.070385	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+NH4+CF3COOH"	132.026685
"1638439"	310.02578	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+Na+CF3COOH"	136.98208
"1572996"	325.99972	"C19194"	"Azaserine"	"C5H7N3O4"	"173.0437"	"M+K+CF3COOH"	152.95602
"813206"	252.0939	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M"	0
"980175"	233.07551	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"66594"	167.055324	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"513448"	251.086624	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"886878"	83.024024	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"6544"	251.086624	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"447198"	377.133574	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"819897"	125.039674	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"82804"	503.180524	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"523461"	755.274424	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"899075"	251.086624	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"50170"	520.207071	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"488635"	772.300971	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"865829"	268.113171	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"32263"	525.162466	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"472553"	777.256366	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"851345"	273.068566	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1623794"	273.068566	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"99959"	269.074963	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"535508"	395.121913	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"930850"	143.028013	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"278156"	539.157202	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"673025"	791.251102	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1285185"	287.063302	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"28101"	541.136406	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"469119"	793.230306	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"845098"	289.042506	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1567492"	289.042506	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"954281"	297.092094	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"371402"	549.186001	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"350912"	563.201651	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1496464"	311.107751	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"970566"	319.074051	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"116193"	287.063302	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"557943"	413.110252	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1027834"	161.016352	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1243037"	331.012785	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1319556"	333.068772	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1335148"	355.050729	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"926325"	365.079486	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1303156"	401.056164	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1380584"	217.081224	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1395159"	235.0912	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"295937"	505.195076	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"690547"	757.288976	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1365072"	253.101176	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H"	1.007276
"137596"	253.101176	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"572053"	379.148126	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1049238"	127.054226	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"211671"	169.069876	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"652325"	253.101176	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1167533"	85.038576	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"435542"	522.221623	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"799090"	774.315523	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1688862"	270.127723	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"343708"	261.6144495	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"736129"	387.6613995	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1486672"	135.5674995	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"399884"	527.177018	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"760879"	779.270918	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1610070"	275.083118	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"321201"	264.092147	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"713624"	390.139097	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1471818"	138.045197	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1056678"	92.36589	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1260179"	285.127386	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"380215"	543.150958	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"743397"	795.244858	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1546543"	291.057058	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+K"	38.963158
"303719"	272.079117	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"697234"	398.126067	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1449596"	146.032167	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"237467"	546.221626	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1211756"	294.127726	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1201360"	147.567501	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"198602"	549.15896	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"632329"	801.25286	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1138752"	297.06506	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"183864"	275.083118	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"623426"	401.130068	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1124744"	149.036168	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1409364"	99.693204	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1440753"	299.106646	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"232269"	280.11614	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1517050"	313.15869	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"414191"	283.070088	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"773733"	409.117038	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1671518"	157.023138	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"254757"	568.203568	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1231476"	316.109668	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1715989"	316.133193	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1181339"	107.020518	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1656339"	321.088588	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"159190"	581.10684	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"597572"	833.20074	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1085320"	329.01294	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"142182"	291.057058	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"586199"	417.104008	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1068760"	165.010108	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1100758"	331.027492	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1342135"	331.115107	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1011756"	335.154276	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1529881"	336.147908	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"994141"	168.080776	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1588764"	337.062528	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1418679"	367.094038	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1151154"	188.594051	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1705087"	384.120585	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1638549"	389.07598	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1573106"	405.04992	"C19195"	"Benzjaceanthrylene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"813316"	252.0939	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M"	0
"981379"	233.07551	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"67434"	167.055324	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"511372"	251.086624	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"885895"	83.024024	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"5561"	251.086624	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"446215"	377.133574	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"821831"	125.039674	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"86194"	503.180524	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"522478"	755.274424	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"900279"	251.086624	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"49187"	520.207071	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"489842"	772.300971	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"866548"	268.113171	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"31661"	525.162466	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"471611"	777.256366	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"852913"	273.068566	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1622810"	273.068566	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"96056"	269.074963	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"537440"	395.121913	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"930960"	143.028013	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"278266"	539.157202	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"674337"	791.251102	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1286750"	287.063302	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"30277"	541.136406	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"469959"	793.230306	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"848009"	289.042506	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1570766"	289.042506	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"958039"	297.092094	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"375887"	549.186001	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"354302"	563.201651	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1499854"	311.107751	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"966302"	319.074051	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"113023"	287.063302	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"561332"	413.110252	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1026850"	161.016352	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1244240"	331.012785	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1319503"	333.068772	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1335378"	355.050729	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"925825"	365.079486	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1299982"	401.056164	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1380695"	217.081224	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1394542"	235.0912	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"295684"	505.195076	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"686283"	757.288976	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1363729"	253.101176	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H"	1.007276
"136982"	253.101176	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"572892"	379.148126	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1047160"	127.054226	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"215060"	169.069876	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"655712"	253.101176	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1169464"	85.038576	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"431642"	522.221623	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"793730"	774.315523	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1684597"	270.127723	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"341632"	261.6144495	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"735146"	387.6613995	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1487876"	135.5674995	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"397442"	527.177018	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"757344"	779.270918	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1609086"	275.083118	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"320220"	264.092147	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"712641"	390.139097	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1469741"	138.045197	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1057881"	92.36589	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1259560"	285.127386	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"380690"	543.150958	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"744602"	795.244858	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1547383"	291.057058	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+K"	38.963158
"305651"	272.079117	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"699165"	398.126067	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1452985"	146.032167	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"239400"	546.221626	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1211381"	294.127726	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1202563"	147.567501	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"199441"	549.15896	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"632075"	801.25286	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1143964"	297.06506	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"186160"	275.083118	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"622442"	401.130068	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1124853"	149.036168	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1410567"	99.693204	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1439405"	299.106646	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"233472"	280.11614	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1518253"	313.15869	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"415760"	283.070088	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"776757"	409.117038	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1668347"	157.023138	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"255597"	568.203568	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1232316"	316.109668	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1715004"	316.133193	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1180357"	107.020518	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1654262"	321.088588	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"162215"	581.10684	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"598615"	833.20074	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1084335"	329.01294	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"141758"	291.057058	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"582418"	417.104008	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1068505"	165.010108	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1100504"	331.027492	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1343338"	331.115107	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1011866"	335.154276	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1531084"	336.147908	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"994251"	168.080776	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1589847"	337.062528	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1417696"	367.094038	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1151264"	188.594051	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1704102"	384.120585	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1637566"	389.07598	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1573216"	405.04992	"C19196"	"Benzojfluoranthene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"814519"	228.0939	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M"	0
"979302"	209.07551	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-H2O-H"	-19.01839
"66450"	151.055324	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M-3H"	-3.021828
"511482"	227.086624	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M-3H"	-3.021828
"888188"	75.024024	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-3H"	-3.021828
"4578"	227.086624	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M-2H"	-2.014552
"445232"	341.133574	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M-2H"	-2.014552
"823033"	113.039674	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-2H"	-2.014552
"85211"	455.180524	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M-H"	-1.007276
"520762"	683.274424	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M-H"	-1.007276
"897105"	227.086624	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-H"	-1.007276
"48564"	472.207071	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M-2H+NH4"	16.019271
"488004"	700.300971	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M-2H+NH4"	16.019271
"865439"	244.113171	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-2H+NH4"	16.019271
"32612"	477.162466	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M-2H+Na"	20.974666
"471847"	705.256366	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M-2H+Na"	20.974666
"853024"	249.068566	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-2H+Na"	20.974666
"1623650"	249.068566	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Na-2H"	20.974666
"96166"	245.074963	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M-H+Cl"	33.962126
"536092"	359.121913	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M-H+Cl"	33.962126
"936537"	131.028013	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-H+Cl"	33.962126
"275093"	491.157202	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+Cl"	34.969402
"674082"	719.251102	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+Cl"	34.969402
"1286494"	263.063302	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Cl"	34.969402
"30265"	493.136406	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M-2H+K"	36.948606
"470432"	721.230306	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M-2H+K"	36.948606
"846777"	265.042506	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-2H+K"	36.948606
"1571081"	265.042506	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+K-2H"	36.948606
"958108"	273.092094	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-H+HCOOH"	44.998194
"375633"	501.186001	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+HCOOH-H"	44.998201
"351131"	515.201651	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+Hac-H"	59.013851
"1496683"	287.107751	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Hac-H"	59.013851
"961308"	295.074051	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-H+NaCOOH"	66.980151
"111309"	263.063302	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+2Cl"	69.938804
"551232"	377.110252	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+2Cl"	69.938804
"1026960"	149.016352	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2Cl"	69.938804
"1241676"	307.012785	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Br"	78.918885
"1319776"	309.068772	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Cl+HCOOH"	80.974872
"1334148"	331.050729	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Cl+NaCOOH"	102.956829
"925206"	341.079486	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M-H+CF3COOH"	112.985586
"1300453"	377.056164	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Cl+CF3COOH"	148.962264
"1379343"	193.081224	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H-2H2O"	-35.012676
"1394652"	211.0912	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H-H2O"	-17.0027
"295794"	457.195076	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+H"	1.007276
"686393"	685.288976	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+H"	1.007276
"1363836"	229.101176	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H"	1.007276
"138548"	229.101176	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+2H"	2.014552
"574095"	343.148126	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+2H"	2.014552
"1047270"	115.054226	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2H"	2.014552
"209703"	153.069876	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+3H"	3.021828
"648896"	229.101176	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+3H"	3.021828
"1168481"	77.038576	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+3H"	3.021828
"431752"	474.221623	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+NH4"	18.033823
"791655"	702.315523	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+NH4"	18.033823
"1683977"	246.127723	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+NH4"	18.033823
"343564"	237.6144495	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+H+NH4"	19.041099
"734892"	351.6613995	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+H+NH4"	19.041099
"1486892"	123.5674995	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H+NH4"	19.041099
"397916"	479.177018	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+Na"	22.989218
"760005"	707.270918	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+Na"	22.989218
"1610289"	251.083118	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Na"	22.989218
"321422"	240.092147	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+H+Na"	23.996494
"712751"	354.139097	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+H+Na"	23.996494
"1468757"	126.045197	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H+Na"	23.996494
"1058720"	84.36589	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2H+Na"	25.00377
"1260034"	261.127386	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+CH3OH+H"	33.033486
"381164"	495.150958	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+K"	38.963158
"745440"	723.244858	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+K"	38.963158
"1546399"	267.057058	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+K"	38.963158
"305761"	248.079117	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+H+K"	39.970434
"694901"	362.126067	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+H+K"	39.970434
"1450908"	134.032167	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H+K"	39.970434
"238417"	498.221626	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+ACN+H"	42.033826
"1212216"	270.127726	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+ACN+H"	42.033826
"1196828"	135.567501	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+ACN+2H"	43.041102
"191157"	501.15896	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+2Na-H"	44.97116
"629997"	729.25286	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+2Na-H"	44.97116
"1135691"	273.06506	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2Na-H"	44.97116
"180803"	251.083118	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+2Na"	45.978436
"620364"	365.130068	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+2Na"	45.978436
"1126056"	137.036168	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2Na"	45.978436
"1407397"	91.693204	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H+2Na"	46.985712
"1436234"	275.106646	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H+HCOOH"	47.012746
"231033"	256.11614	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+3H2O+2H"	56.04448
"1518362"	289.15869	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+IsoProp+H"	61.06479
"411493"	259.070088	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+Na+K"	61.952376
"772855"	373.117038	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+Na+K"	61.952376
"1667726"	145.023138	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Na+K"	61.952376
"252788"	520.203568	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+ACN+Na"	64.015768
"1227682"	292.109668	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+ACN+Na"	64.015768
"1714384"	292.133193	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+NH4+HCOOH"	64.039293
"1179734"	99.020518	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+3Na"	68.967654
"1652547"	297.088588	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Na+HCOOH"	68.994688
"160137"	533.10684	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+2K-H"	76.91904
"597548"	761.20074	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+2K-H"	76.91904
"1084731"	305.01294	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2K-H"	76.91904
"141709"	267.057058	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"2M+2K"	77.926316
"581509"	381.104008	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"3M+2K"	77.926316
"1068503"	153.010108	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2K"	77.926316
"1099935"	307.027492	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2K+H"	78.933592
"1345633"	307.115107	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+DMSO+H"	79.021207
"1011976"	311.154276	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2ACN+H"	83.060376
"1531194"	312.147908	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+IsoProp+Na+H"	84.054008
"994361"	156.080776	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+2ACN+2H"	84.067652
"1589228"	313.062528	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+K+HCOOH"	84.968628
"1417806"	343.094038	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+H+CF3COOH"	115.000138
"1148822"	176.594051	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+3ACN+2H"	125.094202
"1703119"	360.120585	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+NH4+CF3COOH"	132.026685
"1638769"	365.07598	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+Na+CF3COOH"	136.98208
"1572233"	381.04992	"C19197"	"Benzocphenanthrene;34-Benzphenanthrene"	"C18H12"	"228.0939"	"M+K+CF3COOH"	152.95602
"816575"	734.2334	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M"	0
"979412"	715.21501	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-H2O-H"	-19.01839
"66560"	488.481657333333	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M-3H"	-3.021828
"514871"	733.226124	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M-3H"	-3.021828
"887205"	243.737190666667	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-3H"	-3.021828
"5781"	733.226124	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M-2H"	-2.014552
"448621"	1100.342824	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M-2H"	-2.014552
"826423"	366.109424	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-2H"	-2.014552
"86415"	1467.459524	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M-H"	-1.007276
"521967"	2201.692924	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M-H"	-1.007276
"901591"	733.226124	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-H"	-1.007276
"51956"	1484.486071	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M-2H+NH4"	16.019271
"495524"	2218.719471	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M-2H+NH4"	16.019271
"868953"	750.252671	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-2H+NH4"	16.019271
"34667"	1489.441466	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M-2H+Na"	20.974666
"473499"	2223.674866	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M-2H+Na"	20.974666
"853134"	755.208066	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-2H+Na"	20.974666
"1624124"	755.208066	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Na-2H"	20.974666
"97369"	751.214463	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M-H+Cl"	33.962126
"536566"	1118.331163	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M-H+Cl"	33.962126
"934460"	384.097763	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-H+Cl"	33.962126
"275203"	1503.436202	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+Cl"	34.969402
"672735"	2237.669602	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+Cl"	34.969402
"1286607"	769.202802	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Cl"	34.969402
"29889"	1505.415406	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M-2H+K"	36.948606
"470664"	2239.648806	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M-2H+K"	36.948606
"848323"	771.182006	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-2H+K"	36.948606
"1570744"	771.182006	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+K-2H"	36.948606
"958468"	779.231594	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-H+HCOOH"	44.998194
"375014"	1513.465001	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+HCOOH-H"	44.998201
"356709"	1527.480651	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+Hac-H"	59.013851
"1496793"	793.247251	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Hac-H"	59.013851
"964335"	801.213551	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-H+NaCOOH"	66.980151
"113243"	769.202802	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+2Cl"	69.938804
"553894"	1136.319502	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+2Cl"	69.938804
"1027070"	402.086102	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2Cl"	69.938804
"1241540"	813.152285	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Br"	78.918885
"1319558"	815.208272	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Cl+HCOOH"	80.974872
"1335233"	837.190229	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Cl+NaCOOH"	102.956829
"925317"	847.218986	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M-H+CF3COOH"	112.985586
"1301658"	883.195664	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Cl+CF3COOH"	148.962264
"1379818"	699.220724	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H-2H2O"	-35.012676
"1395856"	717.2307	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H-H2O"	-17.0027
"295904"	1469.474076	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+H"	1.007276
"684316"	2203.707476	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+H"	1.007276
"1364311"	735.240676	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H"	1.007276
"139021"	735.240676	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+2H"	2.014552
"575299"	1102.357376	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+2H"	2.014552
"1050657"	368.123976	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2H"	2.014552
"215277"	490.496209333333	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+3H"	3.021828
"651558"	735.240676	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+3H"	3.021828
"1170777"	245.751742666667	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+3H"	3.021828
"432955"	1486.500623	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+NH4"	18.033823
"796138"	2220.734023	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+NH4"	18.033823
"1686638"	752.267223	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+NH4"	18.033823
"342218"	743.7539495	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+H+NH4"	19.041099
"732085"	1110.8706495	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+H+NH4"	19.041099
"1487002"	376.6372495	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H+NH4"	19.041099
"397296"	1491.456018	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+Na"	22.989218
"758292"	2225.689418	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+Na"	22.989218
"1611494"	757.222618	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Na"	22.989218
"322624"	746.231647	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+H+Na"	23.996494
"716138"	1113.348347	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+H+Na"	23.996494
"1465584"	379.114947	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H+Na"	23.996494
"1057737"	253.079056666667	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2H+Na"	25.00377
"1259780"	767.266886	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+CH3OH+H"	33.033486
"382370"	1507.429958	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+K"	38.963158
"744457"	2241.663358	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+K"	38.963158
"1545415"	773.196558	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+K"	38.963158
"303684"	754.218617	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+H+K"	39.970434
"692824"	1121.335317	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+H+K"	39.970434
"1446644"	387.101917	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H+K"	39.970434
"236012"	1510.500626	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+ACN+H"	42.033826
"1210502"	776.267226	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+ACN+H"	42.033826
"1195481"	388.637251	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+ACN+2H"	43.041102
"189809"	1513.43796	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+2Na-H"	44.97116
"631192"	2247.67136	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+2Na-H"	44.97116
"1135064"	779.20456	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2Na-H"	44.97116
"175444"	757.222618	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+2Na"	45.978436
"618287"	1124.339318	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+2Na"	45.978436
"1123979"	390.105918	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2Na"	45.978436
"1408600"	260.406370666667	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H+2Na"	46.985712
"1439624"	781.246146	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H+HCOOH"	47.012746
"232600"	762.25564	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+3H2O+2H"	56.04448
"1517379"	795.29819	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+IsoProp+H"	61.06479
"413790"	765.209588	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+Na+K"	61.952376
"772601"	1132.326288	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+Na+K"	61.952376
"1667473"	398.092888	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Na+K"	61.952376
"253628"	1532.482568	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+ACN+Na"	64.015768
"1226696"	798.249168	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+ACN+Na"	64.015768
"1714129"	798.272693	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+NH4+HCOOH"	64.039293
"1180937"	267.733684666667	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+3Na"	68.967654
"1651564"	803.228088	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Na+HCOOH"	68.994688
"160613"	1545.38584	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+2K-H"	76.91904
"600901"	2279.61924	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+2K-H"	76.91904
"1089059"	811.15244	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2K-H"	76.91904
"145876"	773.196558	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"2M+2K"	77.926316
"581747"	1140.313258	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"3M+2K"	77.926316
"1068542"	406.079858	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2K"	77.926316
"1101702"	813.166992	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2K+H"	78.933592
"1345743"	813.254607	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+DMSO+H"	79.021207
"1012086"	817.293776	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2ACN+H"	83.060376
"1533491"	818.287408	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+IsoProp+Na+H"	84.054008
"996659"	409.150526	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+2ACN+2H"	84.067652
"1594442"	819.202028	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+K+HCOOH"	84.968628
"1420102"	849.233538	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+H+CF3COOH"	115.000138
"1149661"	429.663801	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+3ACN+2H"	125.094202
"1703229"	866.260085	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+NH4+CF3COOH"	132.026685
"1637786"	871.21548	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+Na+CF3COOH"	136.98208
"1572707"	887.18942	"C19198"	"Benzyl violet 4B;Benzyl violet"	"C39H41N3O6S2Na"	"734.2334"	"M+K+CF3COOH"	152.95602
"815105"	259.9048	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M"	0
"979524"	240.88641	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-H2O-H"	-19.01839
"66672"	172.262590666667	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M-3H"	-3.021828
"506230"	258.897524	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M-3H"	-3.021828
"886222"	85.6276573333333	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-3H"	-3.021828
"10267"	258.897524	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M-2H"	-2.014552
"447638"	388.849924	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M-2H"	-2.014552
"821065"	128.945124	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-2H"	-2.014552
"85431"	518.802324	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M-H"	-1.007276
"521349"	778.707124	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M-H"	-1.007276
"900973"	258.897524	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-H"	-1.007276
"49879"	535.828871	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M-2H+NH4"	16.019271
"493448"	795.733671	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M-2H+NH4"	16.019271
"868335"	275.924071	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-2H+NH4"	16.019271
"34777"	540.784266	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M-2H+Na"	20.974666
"474338"	800.689066	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M-2H+Na"	20.974666
"859440"	280.879466	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-2H+Na"	20.974666
"1623870"	280.879466	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Na-2H"	20.974666
"98208"	276.885863	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M-H+Cl"	33.962126
"537403"	406.838263	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M-H+Cl"	33.962126
"937850"	146.933463	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-H+Cl"	33.962126
"275313"	554.779002	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+Cl"	34.969402
"671023"	814.683802	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+Cl"	34.969402
"1284893"	294.874202	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Cl"	34.969402
"28543"	556.758206	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M-2H+K"	36.948606
"468465"	816.663006	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M-2H+K"	36.948606
"844449"	296.853406	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-2H+K"	36.948606
"1569394"	296.853406	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+K-2H"	36.948606
"956912"	304.902994	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-H+HCOOH"	44.998194
"374031"	564.807801	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+HCOOH-H"	44.998201
"356819"	578.823451	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+Hac-H"	59.013851
"1500183"	318.918651	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Hac-H"	59.013851
"964445"	326.884951	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-H+NaCOOH"	66.980151
"115539"	294.874202	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+2Cl"	69.938804
"554004"	424.826602	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+2Cl"	69.938804
"1026087"	164.921802	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2Cl"	69.938804
"1242017"	338.823685	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Br"	78.918885
"1319310"	340.879672	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Cl+HCOOH"	80.974872
"1335225"	362.861629	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Cl+NaCOOH"	102.956829
"926031"	372.890386	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M-H+CF3COOH"	112.985586
"1303473"	408.867064	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Cl+CF3COOH"	148.962264
"1380658"	224.892124	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H-2H2O"	-35.012676
"1396695"	242.9021	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H-H2O"	-17.0027
"296014"	520.816876	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+H"	1.007276
"682239"	780.721676	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+H"	1.007276
"1362961"	260.912076	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H"	1.007276
"139130"	260.912076	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+2H"	2.014552
"576502"	390.864476	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+2H"	2.014552
"1050767"	130.959676	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2H"	2.014552
"215387"	174.277142666667	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+3H"	3.021828
"656042"	260.912076	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+3H"	3.021828
"1173073"	87.6422093333334	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+3H"	3.021828
"437076"	537.843423	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+NH4"	18.033823
"797341"	797.748223	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+NH4"	18.033823
"1688206"	277.938623	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+NH4"	18.033823
"340868"	269.4253495	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+H+NH4"	19.041099
"728915"	399.3777495	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+H+NH4"	19.041099
"1487112"	139.4729495	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H+NH4"	19.041099
"397406"	542.798818	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+Na"	22.989218
"759495"	802.703618	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+Na"	22.989218
"1609415"	282.894018	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Na"	22.989218
"320546"	271.903047	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+H+Na"	23.996494
"716247"	401.855447	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+H+Na"	23.996494
"1466058"	141.950647	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H+Na"	23.996494
"1055295"	94.9695233333333	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2H+Na"	25.00377
"1260254"	292.938286	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+CH3OH+H"	33.033486
"382481"	558.772758	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+K"	38.963158
"741650"	818.677558	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+K"	38.963158
"1547712"	298.867958	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+K"	38.963158
"304887"	279.890017	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+H+K"	39.970434
"696214"	409.842417	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+H+K"	39.970434
"1447846"	149.937617	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H+K"	39.970434
"237176"	561.843426	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+ACN+H"	42.033826
"1210489"	301.938626	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+ACN+H"	42.033826
"1195592"	151.472951	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+ACN+2H"	43.041102
"191378"	564.78076	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+2Na-H"	44.97116
"631668"	824.68556	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+2Na-H"	44.97116
"1134447"	304.87596	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2Na-H"	44.97116
"177013"	282.894018	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+2Na"	45.978436
"621677"	412.846418	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+2Na"	45.978436
"1122996"	152.941618	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2Na"	45.978436
"1407617"	102.296837333333	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H+2Na"	46.985712
"1437547"	306.917546	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H+HCOOH"	47.012746
"232711"	287.92704	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+3H2O+2H"	56.04448
"1515303"	320.96959	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+IsoProp+H"	61.06479
"413900"	290.880988	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+Na+K"	61.952376
"771617"	420.833388	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+Na+K"	61.952376
"1667948"	160.928588	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Na+K"	61.952376
"253374"	583.825368	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+ACN+Na"	64.015768
"1227537"	323.920568	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+ACN+Na"	64.015768
"1717157"	323.944093	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+NH4+HCOOH"	64.039293
"1179954"	109.624151333333	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+3Na"	68.967654
"1650699"	328.899488	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Na+HCOOH"	68.994688
"159266"	596.72864	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+2K-H"	76.91904
"602106"	856.63344	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+2K-H"	76.91904
"1090993"	336.82384	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2K-H"	76.91904
"142706"	298.867958	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"2M+2K"	77.926316
"581535"	428.820358	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"3M+2K"	77.926316
"1068704"	168.915558	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2K"	77.926316
"1100226"	338.838392	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2K+H"	78.933592
"1344760"	338.926007	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+DMSO+H"	79.021207
"1012196"	342.965176	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2ACN+H"	83.060376
"1533601"	343.958808	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+IsoProp+Na+H"	84.054008
"997862"	171.986226	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+2ACN+2H"	84.067652
"1594552"	344.873428	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+K+HCOOH"	84.968628
"1422399"	374.904938	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+H+CF3COOH"	115.000138
"1148314"	192.499501	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+3ACN+2H"	125.094202
"1703339"	391.931485	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+NH4+CF3COOH"	132.026685
"1637896"	396.88688	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+Na+CF3COOH"	136.98208
"1572817"	412.86082	"C19199"	"22-Bis(bromomethyl)propane-13-diol;Pentaerythritol dibromide"	"C5H10Br2O2"	"259.9048"	"M+K+CF3COOH"	152.95602
"816310"	86.0368	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M"	0
"980728"	67.01841	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"68969"	56.3505906666667	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"513999"	85.029524	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"888524"	27.6716573333333	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"12565"	85.029524	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"449938"	128.047924	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"827737"	42.011124	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"82631"	171.066324	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"525104"	257.103124	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"899988"	85.029524	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"52176"	188.092871	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"490643"	274.129671	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"865528"	102.056071	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"33064"	193.048266	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"481749"	279.085066	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"854447"	107.011466	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1622886"	107.011466	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"98685"	103.017863	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"546270"	146.036263	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"934681"	59.999463	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"280289"	207.043002	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"673695"	293.079802	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1288257"	121.006202	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"30970"	209.022206	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"470525"	295.059006	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"847719"	122.985406	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1569503"	122.985406	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"956656"	131.034994	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"376694"	217.071801	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"358024"	231.087451	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1504669"	145.050651	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"965647"	153.016951	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"116742"	121.006202	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"561771"	164.024602	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1027288"	77.987802	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1255631"	164.955685	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1319498"	167.011672	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1332290"	188.993629	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"922254"	199.022386	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1296775"	234.999064	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1379308"	51.024124	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1394253"	69.0341	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"288835"	173.080876	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"687815"	259.117676	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1363069"	87.044076	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"135959"	87.044076	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"572239"	130.062476	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1042132"	44.025676	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"210034"	58.3651426666667	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"651781"	87.044076	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1169906"	29.6862093333333	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"429899"	190.107423	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"793082"	276.144223	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1689420"	104.070623	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"342802"	95.5573495	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"729027"	138.5757495	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1480661"	52.5389495	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"397151"	195.062818	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"758510"	281.099618	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1610621"	109.026018	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"321751"	98.035047	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"713079"	141.053447	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1466903"	55.016647	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1059054"	37.0135233333333	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1264013"	119.070286	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"382589"	211.036758	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"745771"	297.073558	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1546729"	124.999958	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"303903"	106.022017	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"694505"	149.040417	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1449055"	63.003617	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"236555"	214.107426	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1215105"	128.070626	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1195215"	64.538951	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"192590"	217.04476	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"632148"	303.08156	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1134927"	131.00796	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"177853"	109.026018	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"621787"	152.044418	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1122015"	66.007618	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1409917"	44.3408373333333	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1438751"	133.049546	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"230633"	114.05904	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1514326"	147.10159	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"414014"	117.012988	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"773915"	160.031388	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1670244"	73.994588	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"253849"	236.089368	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1226920"	150.052568	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1715077"	150.076093	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1179460"	51.6681513333333	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1649902"	155.031488	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"162655"	248.99264	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"597471"	335.02944	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1084530"	162.95584	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"143543"	124.999958	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"581637"	168.018358	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1069075"	81.981558	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1109579"	164.970392	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1343776"	165.058007	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1007931"	169.097176	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1530431"	170.090808	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"995784"	85.052226	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1591380"	171.005428	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1417041"	201.036938	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1152806"	105.565501	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1711105"	218.063485	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1643475"	223.01888	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1575844"	238.99282	"C19201"	"beta-Butyrolactone"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"813868"	385.8241	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M"	0
"979750"	366.80571	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-H2O-H"	-19.01839
"66163"	256.208790666667	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M-3H"	-3.021828
"504631"	384.816824	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M-3H"	-3.021828
"881338"	127.600757333333	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-3H"	-3.021828
"2102"	384.816824	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M-2H"	-2.014552
"441293"	577.728874	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M-2H"	-2.014552
"818366"	191.904774	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-2H"	-2.014552
"81647"	770.640924	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M-H"	-1.007276
"520232"	1156.465024	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M-H"	-1.007276
"898646"	384.816824	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-H"	-1.007276
"58491"	787.667471	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M-2H+NH4"	16.019271
"496956"	1173.491571	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M-2H+NH4"	16.019271
"871482"	401.843371	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-2H+NH4"	16.019271
"41571"	792.622866	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M-2H+Na"	20.974666
"482225"	1178.446966	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M-2H+Na"	20.974666
"855650"	406.798766	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-2H+Na"	20.974666
"1632724"	406.798766	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Na-2H"	20.974666
"107190"	402.805163	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M-H+Cl"	33.962126
"545654"	595.717213	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M-H+Cl"	33.962126
"941369"	209.893113	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-H+Cl"	33.962126
"282122"	806.617602	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+Cl"	34.969402
"675231"	1192.441702	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+Cl"	34.969402
"1287674"	420.793502	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Cl"	34.969402
"31167"	808.596806	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M-2H+K"	36.948606
"470756"	1194.420906	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M-2H+K"	36.948606
"846491"	422.772706	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-2H+K"	36.948606
"1569248"	422.772706	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+K-2H"	36.948606
"956035"	430.822294	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-H+HCOOH"	44.998194
"376074"	816.646401	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+HCOOH-H"	44.998201
"352666"	830.662051	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+Hac-H"	59.013851
"1504779"	444.837951	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Hac-H"	59.013851
"971226"	452.804251	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-H+NaCOOH"	66.980151
"123054"	420.793502	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+2Cl"	69.938804
"561890"	613.705552	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+2Cl"	69.938804
"1036158"	227.881452	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2Cl"	69.938804
"1256831"	464.742985	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Br"	78.918885
"1313809"	466.798972	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Cl+HCOOH"	80.974872
"1330212"	488.780929	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Cl+NaCOOH"	102.956829
"917989"	498.809686	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M-H+CF3COOH"	112.985586
"1301988"	534.786364	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Cl+CF3COOH"	148.962264
"1379418"	350.811424	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H-2H2O"	-35.012676
"1393270"	368.8214	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H-H2O"	-17.0027
"293684"	772.655476	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+H"	1.007276
"686832"	1158.479576	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+H"	1.007276
"1358806"	386.831376	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H"	1.007276
"134976"	386.831376	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+2H"	2.014552
"569431"	579.743426	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+2H"	2.014552
"1042242"	193.919326	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2H"	2.014552
"209049"	258.223342666667	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+3H"	3.021828
"656267"	386.831376	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+3H"	3.021828
"1173303"	129.615309333333	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+3H"	3.021828
"432204"	789.682023	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+NH4"	18.033823
"793199"	1175.506123	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+NH4"	18.033823
"1691718"	403.857923	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+NH4"	18.033823
"335622"	395.3446495	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+H+NH4"	19.041099
"728047"	588.2566995	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+H+NH4"	19.041099
"1478947"	202.4325995	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H+NH4"	19.041099
"395438"	794.637418	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+Na"	22.989218
"759349"	1180.461518	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+Na"	22.989218
"1605629"	408.813318	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Na"	22.989218
"318582"	397.822347	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+H+Na"	23.996494
"709913"	590.734397	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+H+Na"	23.996494
"1467015"	204.910297	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H+Na"	23.996494
"1059166"	136.942623333333	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2H+Na"	25.00377
"1265218"	418.857586	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+CH3OH+H"	33.033486
"383791"	810.611358	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+K"	38.963158
"746972"	1196.435458	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+K"	38.963158
"1544653"	424.787258	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+K"	38.963158
"302919"	405.809317	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+H+K"	39.970434
"693155"	598.721367	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+H+K"	39.970434
"1450259"	212.897267	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H+K"	39.970434
"239956"	813.682026	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+ACN+H"	42.033826
"1213756"	427.857926	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+ACN+H"	42.033826
"1196545"	214.432601	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+ACN+2H"	43.041102
"191967"	816.61936	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+2Na-H"	44.97116
"631523"	1202.44346	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+2Na-H"	44.97116
"1146341"	430.79526	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2Na-H"	44.97116
"184531"	408.813318	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+2Na"	45.978436
"622998"	601.725368	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+2Na"	45.978436
"1125409"	215.901268	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2Na"	45.978436
"1405654"	144.269937333333	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H+2Na"	46.985712
"1439963"	432.836846	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H+HCOOH"	47.012746
"222004"	413.84634	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+3H2O+2H"	56.04448
"1518815"	446.88889	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+IsoProp+H"	61.06479
"415220"	416.800288	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+Na+K"	61.952376
"771354"	609.712338	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+Na+K"	61.952376
"1666466"	223.888238	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Na+K"	61.952376
"252012"	835.663968	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+ACN+Na"	64.015768
"1229585"	449.839868	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+ACN+Na"	64.015768
"1714459"	449.863393	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+NH4+HCOOH"	64.039293
"1180296"	151.597251333333	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+3Na"	68.967654
"1651037"	454.818788	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Na+HCOOH"	68.994688
"161671"	848.56724	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+2K-H"	76.91904
"599044"	1234.39134	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+2K-H"	76.91904
"1094498"	462.74314	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2K-H"	76.91904
"152407"	424.787258	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"2M+2K"	77.926316
"595741"	617.699308	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"3M+2K"	77.926316
"1082803"	231.875208	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2K"	77.926316
"1112973"	464.757692	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2K+H"	78.933592
"1349357"	464.845307	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+DMSO+H"	79.021207
"1017886"	468.884476	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2ACN+H"	83.060376
"1537105"	469.878108	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+IsoProp+Na+H"	84.054008
"995896"	234.945876	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+2ACN+2H"	84.067652
"1600255"	470.792728	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+K+HCOOH"	84.968628
"1425911"	500.824238	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+H+CF3COOH"	115.000138
"1161666"	255.459151	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+3ACN+2H"	125.094202
"1709029"	517.850785	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+NH4+CF3COOH"	132.026685
"1640306"	522.80618	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+Na+CF3COOH"	136.98208
"1575956"	538.78012	"C19204"	"Chlorendic acid;145677-Hexachloro-5-norbornene-23-dicarboxylic acid"	"C9H4Cl6O4"	"385.8241"	"M+K+CF3COOH"	152.95602
"813978"	215.9148	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M"	0
"983139"	196.89641	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-H2O-H"	-19.01839
"63357"	142.935924	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M-3H"	-3.021828
"503648"	214.907524	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M-3H"	-3.021828
"880012"	70.964324	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-3H"	-3.021828
"1848"	214.907524	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M-2H"	-2.014552
"441043"	322.864924	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M-2H"	-2.014552
"817258"	106.950124	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-2H"	-2.014552
"82486"	430.822324	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M-H"	-1.007276
"519128"	646.737124	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M-H"	-1.007276
"897663"	214.907524	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-H"	-1.007276
"58601"	447.848871	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M-2H+NH4"	16.019271
"495973"	663.763671	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M-2H+NH4"	16.019271
"873779"	231.934071	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-2H+NH4"	16.019271
"38400"	452.804266	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M-2H+Na"	20.974666
"479054"	668.719066	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M-2H+Na"	20.974666
"855761"	236.889466	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-2H+Na"	20.974666
"1632954"	236.889466	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Na-2H"	20.974666
"108390"	232.895863	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M-H+Cl"	33.962126
"546857"	340.853263	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M-H+Cl"	33.962126
"940382"	124.938463	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-H+Cl"	33.962126
"278940"	466.799002	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+Cl"	34.969402
"674646"	682.713802	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+Cl"	34.969402
"1288356"	250.884202	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Cl"	34.969402
"30333"	468.778206	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M-2H+K"	36.948606
"471319"	684.693006	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M-2H+K"	36.948606
"846236"	252.863406	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-2H+K"	36.948606
"1568630"	252.863406	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+K-2H"	36.948606
"957809"	260.912994	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-H+HCOOH"	44.998194
"375455"	476.827801	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+HCOOH-H"	44.998201
"352776"	490.843451	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+Hac-H"	59.013851
"1507441"	274.928651	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Hac-H"	59.013851
"971336"	282.894951	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-H+NaCOOH"	66.980151
"122804"	250.884202	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+2Cl"	69.938804
"562728"	358.841602	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+2Cl"	69.938804
"1035175"	142.926802	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2Cl"	69.938804
"1254023"	294.833685	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Br"	78.918885
"1313919"	296.889672	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Cl+HCOOH"	80.974872
"1332509"	318.871629	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Cl+NaCOOH"	102.956829
"918099"	328.900386	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M-H+CF3COOH"	112.985586
"1302827"	364.877064	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Cl+CF3COOH"	148.962264
"1378435"	180.902124	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H-2H2O"	-35.012676
"1395203"	198.9121	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H-H2O"	-17.0027
"292335"	432.836876	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+H"	1.007276
"688402"	648.751676	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+H"	1.007276
"1360009"	216.922076	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H"	1.007276
"133992"	216.922076	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+2H"	2.014552
"570271"	324.879476	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+2H"	2.014552
"1042351"	108.964676	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2H"	2.014552
"209159"	144.950476	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+3H"	3.021828
"653097"	216.922076	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+3H"	3.021828
"1172318"	72.978876	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+3H"	3.021828
"429031"	449.863423	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+NH4"	18.033823
"788202"	665.778223	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+NH4"	18.033823
"1686359"	233.948623	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+NH4"	18.033823
"335732"	225.4353495	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+H+NH4"	19.041099
"724142"	333.3927495	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+H+NH4"	19.041099
"1479057"	117.4779495	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H+NH4"	19.041099
"393968"	454.818818	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+Na"	22.989218
"754959"	670.733618	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+Na"	22.989218
"1606469"	238.904018	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Na"	22.989218
"316869"	227.913047	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+H+Na"	23.996494
"711117"	335.870447	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+H+Na"	23.996494
"1464939"	119.955647	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H+Na"	23.996494
"1059277"	80.30619	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2H+Na"	25.00377
"1263141"	248.948286	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+CH3OH+H"	33.033486
"381715"	470.792758	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+K"	38.963158
"744896"	686.707558	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+K"	38.963158
"1544763"	254.877958	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+K"	38.963158
"300479"	235.900017	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+H+K"	39.970434
"691807"	343.857417	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+H+K"	39.970434
"1450370"	127.942617	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H+K"	39.970434
"238243"	473.863426	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+ACN+H"	42.033826
"1212774"	257.948626	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+ACN+H"	42.033826
"1198114"	129.477951	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+ACN+2H"	43.041102
"192077"	476.80076	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+2Na-H"	44.97116
"630544"	692.71556	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+2Na-H"	44.97116
"1145722"	260.88596	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2Na-H"	44.97116
"186828"	238.904018	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+2Na"	45.978436
"622015"	346.861418	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+2Na"	45.978436
"1126613"	130.946618	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2Na"	45.978436
"1404671"	87.633504	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H+2Na"	46.985712
"1437886"	262.927546	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H+HCOOH"	47.012746
"228674"	243.93704	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+3H2O+2H"	56.04448
"1514550"	276.97959	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+IsoProp+H"	61.06479
"412049"	246.890988	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+Na+K"	61.952376
"777418"	354.848388	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+Na+K"	61.952376
"1670101"	138.933588	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Na+K"	61.952376
"254069"	495.845368	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+ACN+Na"	64.015768
"1228965"	279.930568	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+ACN+Na"	64.015768
"1713841"	279.954093	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+NH4+HCOOH"	64.039293
"1179797"	94.960818	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+3Na"	68.967654
"1650784"	284.909488	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Na+HCOOH"	68.994688
"158622"	508.74864	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+2K-H"	76.91904
"598055"	724.66344	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+2K-H"	76.91904
"1094608"	292.83384	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2K-H"	76.91904
"152517"	254.877958	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"2M+2K"	77.926316
"596093"	362.835358	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"3M+2K"	77.926316
"1083643"	146.920558	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2K"	77.926316
"1113083"	294.848392	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2K+H"	78.933592
"1349467"	294.936007	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+DMSO+H"	79.021207
"1016902"	298.975176	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2ACN+H"	83.060376
"1537215"	299.968808	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+IsoProp+Na+H"	84.054008
"996006"	149.991226	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+2ACN+2H"	84.067652
"1601946"	300.883428	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+K+HCOOH"	84.968628
"1426021"	330.914938	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+H+CF3COOH"	115.000138
"1161412"	170.504501	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+3ACN+2H"	125.094202
"1709139"	347.941485	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+NH4+CF3COOH"	132.026685
"1640416"	352.89688	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+Na+CF3COOH"	136.98208
"1576066"	368.87082	"C19205"	"3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone"	"C5H3Cl3O3"	"215.9148"	"M+K+CF3COOH"	152.95602
"814088"	90.0236	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M"	0
"979969"	71.00521	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-H2O-H"	-19.01839
"62962"	59.0084573333333	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M-3H"	-3.021828
"502912"	89.016324	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M-3H"	-3.021828
"879959"	29.0005906666667	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-3H"	-3.021828
"27"	89.016324	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M-2H"	-2.014552
"441877"	134.028124	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M-2H"	-2.014552
"818222"	44.004524	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-2H"	-2.014552
"81503"	179.039924	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M-H"	-1.007276
"520331"	269.063524	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M-H"	-1.007276
"899961"	89.016324	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-H"	-1.007276
"58712"	196.066471	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M-2H+NH4"	16.019271
"494990"	286.090071	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M-2H+NH4"	16.019271
"873889"	106.042871	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-2H+NH4"	16.019271
"38510"	201.021866	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M-2H+Na"	20.974666
"475884"	291.045466	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M-2H+Na"	20.974666
"850037"	110.998266	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-2H+Na"	20.974666
"1633065"	110.998266	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Na-2H"	20.974666
"109803"	107.004663	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M-H+Cl"	33.962126
"546967"	152.016463	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M-H+Cl"	33.962126
"938297"	61.992863	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-H+Cl"	33.962126
"279780"	215.016602	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+Cl"	34.969402
"673657"	305.040202	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+Cl"	34.969402
"1288173"	124.993002	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Cl"	34.969402
"28985"	216.995806	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M-2H+K"	36.948606
"469271"	307.019406	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M-2H+K"	36.948606
"848170"	126.972206	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-2H+K"	36.948606
"1570199"	126.972206	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+K-2H"	36.948606
"956986"	135.021794	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-H+HCOOH"	44.998194
"375201"	225.045401	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+HCOOH-H"	44.998201
"352886"	239.061051	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+Hac-H"	59.013851
"1506093"	149.037451	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Hac-H"	59.013851
"971446"	157.003751	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-H+NaCOOH"	66.980151
"124373"	124.993002	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+2Cl"	69.938804
"564663"	170.004802	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+2Cl"	69.938804
"1036788"	79.981202	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2Cl"	69.938804
"1254861"	168.942485	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Br"	78.918885
"1318040"	170.998472	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Cl+HCOOH"	80.974872
"1334077"	192.980429	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Cl+NaCOOH"	102.956829
"919304"	203.009186	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M-H+CF3COOH"	112.985586
"1302937"	238.985864	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Cl+CF3COOH"	148.962264
"1376358"	55.010924	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H-2H2O"	-35.012676
"1395311"	73.0209	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H-H2O"	-17.0027
"292445"	181.054476	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+H"	1.007276
"687052"	271.078076	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+H"	1.007276
"1360119"	91.030876	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H"	1.007276
"135196"	91.030876	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+2H"	2.014552
"569288"	136.042676	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+2H"	2.014552
"1039181"	46.019076	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2H"	2.014552
"208176"	61.0230093333333	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+3H"	3.021828
"653207"	91.030876	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+3H"	3.021828
"1174615"	31.0151426666667	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+3H"	3.021828
"425496"	198.081023	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+NH4"	18.033823
"786856"	288.104623	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+NH4"	18.033823
"1686469"	108.057423	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+NH4"	18.033823
"335842"	99.5441495	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+H+NH4"	19.041099
"723524"	144.5559495	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+H+NH4"	19.041099
"1478439"	54.5323495	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H+NH4"	19.041099
"393107"	203.036418	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+Na"	22.989218
"754709"	293.060018	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+Na"	22.989218
"1608765"	113.012818	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Na"	22.989218
"316616"	102.021847	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+H+Na"	23.996494
"711227"	147.033647	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+H+Na"	23.996494
"1465047"	57.010047	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H+Na"	23.996494
"1060480"	38.3424566666667	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2H+Na"	25.00377
"1264344"	123.057086	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+CH3OH+H"	33.033486
"382918"	219.010358	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+K"	38.963158
"739536"	309.033958	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+K"	38.963158
"1541955"	128.986758	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+K"	38.963158
"301680"	110.008817	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+H+K"	39.970434
"693007"	155.020617	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+H+K"	39.970434
"1447564"	64.997017	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H+K"	39.970434
"237256"	222.081026	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+ACN+H"	42.033826
"1213980"	132.057426	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+ACN+H"	42.033826
"1195672"	66.532351	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+ACN+2H"	43.041102
"188945"	225.01836	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+2Na-H"	44.97116
"629436"	315.04196	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+2Na-H"	44.97116
"1141459"	134.99476	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2Na-H"	44.97116
"181471"	113.012818	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+2Na"	45.978436
"613620"	158.024618	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+2Na"	45.978436
"1115864"	68.001018	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2Na"	45.978436
"1398703"	45.6697706666667	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H+2Na"	46.985712
"1437996"	137.036346	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H+HCOOH"	47.012746
"225504"	118.04584	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+3H2O+2H"	56.04448
"1514660"	151.08839	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+IsoProp+H"	61.06479
"412159"	120.999788	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+Na+K"	61.952376
"776435"	166.011588	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+Na+K"	61.952376
"1669847"	75.987988	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Na+K"	61.952376
"253450"	244.062968	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+ACN+Na"	64.015768
"1227982"	154.039368	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+ACN+Na"	64.015768
"1713343"	154.062893	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+NH4+HCOOH"	64.039293
"1179787"	52.9970846666667	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+3Na"	68.967654
"1650651"	159.018288	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Na+HCOOH"	68.994688
"157241"	256.96624	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+2K-H"	76.91904
"597147"	346.98984	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+2K-H"	76.91904
"1094718"	166.94264	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2K-H"	76.91904
"149347"	128.986758	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"2M+2K"	77.926316
"596449"	173.998558	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"3M+2K"	77.926316
"1083753"	83.974958	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2K"	77.926316
"1113193"	168.957192	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2K+H"	78.933592
"1346297"	169.044807	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+DMSO+H"	79.021207
"1014826"	173.083976	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2ACN+H"	83.060376
"1535139"	174.077608	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+IsoProp+Na+H"	84.054008
"995023"	87.045626	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+2ACN+2H"	84.067652
"1602419"	174.992228	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+K+HCOOH"	84.968628
"1426131"	205.023738	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+H+CF3COOH"	115.000138
"1158606"	107.558901	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+3ACN+2H"	125.094202
"1709248"	222.050285	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+NH4+CF3COOH"	132.026685
"1640526"	227.00568	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+Na+CF3COOH"	136.98208
"1575083"	242.97962	"C19206"	"1-Chloro-2-methylpropene;1-Chloro-2-methyl-1-propene"	"C4H7Cl"	"90.0236"	"M+K+CF3COOH"	152.95602
"813105"	142.0298	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M"	0
"980081"	123.01141	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H2O-H"	-19.01839
"63213"	93.6792573333333	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-3H"	-3.021828
"503098"	141.022524	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-3H"	-3.021828
"880211"	46.3359906666667	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-3H"	-3.021828
"199"	141.022524	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H"	-2.014552
"440651"	212.037424	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H"	-2.014552
"817724"	70.007624	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H"	-2.014552
"81612"	283.052324	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-H"	-1.007276
"518656"	425.082124	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-H"	-1.007276
"898978"	141.022524	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H"	-1.007276
"58822"	300.078871	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H+NH4"	16.019271
"496193"	442.108671	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H+NH4"	16.019271
"873999"	158.049071	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H+NH4"	16.019271
"35340"	305.034266	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H+Na"	20.974666
"474171"	447.064066	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H+Na"	20.974666
"850875"	163.004466	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H+Na"	20.974666
"1632081"	163.004466	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na-2H"	20.974666
"109584"	159.010863	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-H+Cl"	33.962126
"543797"	230.025763	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-H+Cl"	33.962126
"931843"	87.995963	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+Cl"	33.962126
"282689"	319.029002	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Cl"	34.969402
"672673"	461.058802	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+Cl"	34.969402
"1288322"	176.999202	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl"	34.969402
"29095"	321.008206	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H+K"	36.948606
"470479"	463.038006	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H+K"	36.948606
"847187"	178.978406	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H+K"	36.948606
"1571251"	178.978406	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K-2H"	36.948606
"958243"	187.027994	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+HCOOH"	44.998194
"375311"	329.057801	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+HCOOH-H"	44.998201
"358099"	343.073451	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Hac-H"	59.013851
"1506932"	201.043651	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Hac-H"	59.013851
"972649"	209.009951	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+NaCOOH"	66.980151
"125334"	176.999202	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2Cl"	69.938804
"565385"	248.014102	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2Cl"	69.938804
"1035763"	105.984302	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2Cl"	69.938804
"1256073"	220.948685	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Br"	78.918885
"1317786"	223.004672	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl+HCOOH"	80.974872
"1335488"	244.986629	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl+NaCOOH"	102.956829
"926221"	255.015386	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+CF3COOH"	112.985586
"1303660"	290.992064	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl+CF3COOH"	148.962264
"1376468"	107.017124	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H-2H2O"	-35.012676
"1395421"	125.0271	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H-H2O"	-17.0027
"294743"	285.066876	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H"	1.007276
"687891"	427.096676	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H"	1.007276
"1360230"	143.037076	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H"	1.007276
"135306"	143.037076	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2H"	2.014552
"569398"	214.051976	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2H"	2.014552
"1041478"	72.022176	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2H"	2.014552
"209379"	95.6938093333333	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+3H"	3.021828
"653317"	143.037076	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+3H"	3.021828
"1169258"	48.3505426666667	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+3H"	3.021828
"425606"	302.093423	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+NH4"	18.033823
"787330"	444.123223	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+NH4"	18.033823
"1684393"	160.063623	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+NH4"	18.033823
"333764"	151.5503495	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H+NH4"	19.041099
"729467"	222.5652495	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H+NH4"	19.041099
"1479277"	80.5354495	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+NH4"	19.041099
"393333"	307.048818	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Na"	22.989218
"754572"	449.078618	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+Na"	22.989218
"1608875"	165.019018	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na"	22.989218
"315753"	154.028047	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H+Na"	23.996494
"715712"	225.042947	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H+Na"	23.996494
"1464065"	83.013147	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+Na"	23.996494
"1060590"	55.6778566666667	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2H+Na"	25.00377
"1264456"	175.063286	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+CH3OH+H"	33.033486
"381935"	323.022758	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+K"	38.963158
"740374"	465.052558	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+K"	38.963158
"1542427"	180.992958	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K"	38.963158
"298951"	162.015017	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H+K"	39.970434
"691775"	233.029917	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H+K"	39.970434
"1447669"	91.000117	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+K"	39.970434
"237002"	326.093426	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+ACN+H"	42.033826
"1211895"	184.063626	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+ACN+H"	42.033826
"1196511"	92.535451	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+ACN+2H"	43.041102
"188974"	329.03076	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2Na-H"	44.97116
"628938"	471.06056	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2Na-H"	44.97116
"1140475"	187.00096	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2Na-H"	44.97116
"181576"	165.019018	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2Na"	45.978436
"614581"	236.033918	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2Na"	45.978436
"1116624"	94.004118	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2Na"	45.978436
"1399057"	63.0051706666667	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+2Na"	46.985712
"1439929"	189.042546	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+HCOOH"	47.012746
"228894"	170.05204	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+3H2O+2H"	56.04448
"1518050"	203.09459	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+IsoProp+H"	61.06479
"413362"	173.005988	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Na+K"	61.952376
"776544"	244.020888	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+Na+K"	61.952376
"1666309"	101.991088	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na+K"	61.952376
"251854"	348.075368	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+ACN+Na"	64.015768
"1226626"	206.045568	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+ACN+Na"	64.015768
"1714791"	206.069093	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+NH4+HCOOH"	64.039293
"1179412"	70.3324846666667	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+3Na"	68.967654
"1650152"	211.024488	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na+HCOOH"	68.994688
"157258"	360.97864	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2K-H"	76.91904
"597537"	503.00844	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2K-H"	76.91904
"1089721"	218.94884	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2K-H"	76.91904
"146174"	180.992958	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2K"	77.926316
"595707"	252.007858	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2K"	77.926316
"1083621"	109.978058	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2K"	77.926316
"1110023"	220.963392	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2K+H"	78.933592
"1349687"	221.051007	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+DMSO+H"	79.021207
"1016029"	225.090176	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2ACN+H"	83.060376
"1535247"	226.083808	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+IsoProp+Na+H"	84.054008
"992946"	113.048726	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2ACN+2H"	84.067652
"1602651"	226.998428	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K+HCOOH"	84.968628
"1424054"	257.029938	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+CF3COOH"	115.000138
"1158716"	133.562001	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+3ACN+2H"	125.094202
"1709359"	274.056485	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+NH4+CF3COOH"	132.026685
"1640636"	279.01188	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na+CF3COOH"	136.98208
"1578474"	294.98582	"C19207"	"4-Chloro-ortho-phenylenediamine;4-Chloro-12-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K+CF3COOH"	152.95602
"815402"	88.008	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M"	0
"983471"	68.98961	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-H2O-H"	-19.01839
"63609"	57.664724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M-3H"	-3.021828
"504223"	87.000724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M-3H"	-3.021828
"881779"	28.328724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-3H"	-3.021828
"2541"	87.000724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M-2H"	-2.014552
"441864"	131.004724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M-2H"	-2.014552
"818086"	42.996724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-2H"	-2.014552
"81357"	175.008724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M-H"	-1.007276
"520307"	263.016724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M-H"	-1.007276
"899088"	87.000724	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-H"	-1.007276
"58932"	192.035271	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M-2H+NH4"	16.019271
"496303"	280.043271	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M-2H+NH4"	16.019271
"868637"	104.027271	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-2H+NH4"	16.019271
"38731"	196.990666	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M-2H+Na"	20.974666
"473917"	284.998666	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M-2H+Na"	20.974666
"851716"	108.982666	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-2H+Na"	20.974666
"1632802"	108.982666	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Na-2H"	20.974666
"108722"	104.989063	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M-H+Cl"	33.962126
"546093"	148.993063	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M-H+Cl"	33.962126
"930859"	60.985063	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-H+Cl"	33.962126
"282073"	210.985402	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+Cl"	34.969402
"675103"	298.993402	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+Cl"	34.969402
"1287622"	122.977402	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Cl"	34.969402
"30181"	212.964606	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M-2H+K"	36.948606
"470836"	300.972606	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M-2H+K"	36.948606
"847664"	124.956606	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-2H+K"	36.948606
"1570665"	124.956606	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+K-2H"	36.948606
"957576"	133.006194	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-H+HCOOH"	44.998194
"373239"	221.014201	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+HCOOH-H"	44.998201
"360771"	235.029851	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+Hac-H"	59.013851
"1505226"	147.021851	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Hac-H"	59.013851
"971309"	154.988151	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-H+NaCOOH"	66.980151
"124957"	122.977402	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+2Cl"	69.938804
"563796"	166.981402	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+2Cl"	69.938804
"1035510"	78.973402	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2Cl"	69.938804
"1255817"	166.926885	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Br"	78.918885
"1318263"	168.982872	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Cl+HCOOH"	80.974872
"1332841"	190.964829	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Cl+NaCOOH"	102.956829
"926331"	200.993586	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M-H+CF3COOH"	112.985586
"1300605"	236.970264	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Cl+CF3COOH"	148.962264
"1380469"	52.995324	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H-2H2O"	-35.012676
"1393712"	71.0053	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H-H2O"	-17.0027
"293763"	177.023276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+H"	1.007276
"684361"	265.031276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+H"	1.007276
"1360343"	89.015276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H"	1.007276
"136148"	89.015276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+2H"	2.014552
"573886"	133.019276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+2H"	2.014552
"1047426"	45.011276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2H"	2.014552
"212775"	59.679276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+3H"	3.021828
"650149"	89.015276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+3H"	3.021828
"1169368"	30.343276	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+3H"	3.021828
"429363"	194.049823	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+NH4"	18.033823
"787441"	282.057823	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+NH4"	18.033823
"1689972"	106.041823	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+NH4"	18.033823
"337156"	97.5285495	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+H+NH4"	19.041099
"728487"	141.5325495	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+H+NH4"	19.041099
"1477565"	53.5245495	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H+NH4"	19.041099
"393207"	199.005218	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+Na"	22.989218
"755047"	287.013218	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+Na"	22.989218
"1604974"	110.997218	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Na"	22.989218
"319023"	100.006247	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+H+Na"	23.996494
"714729"	144.010247	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+H+Na"	23.996494
"1467456"	56.002247	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H+Na"	23.996494
"1057420"	37.67059	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2H+Na"	25.00377
"1263472"	121.041486	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+CH3OH+H"	33.033486
"382046"	214.979158	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+K"	38.963158
"740127"	302.987158	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+K"	38.963158
"1544732"	126.971158	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+K"	38.963158
"303365"	107.993217	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+H+K"	39.970434
"699070"	151.997217	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+H+K"	39.970434
"1447783"	63.989217	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H+K"	39.970434
"238934"	218.049826	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+ACN+H"	42.033826
"1210179"	130.041826	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+ACN+H"	42.033826
"1195152"	65.524551	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+ACN+2H"	43.041102
"189362"	220.98716	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+2Na-H"	44.97116
"630863"	308.99516	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+2Na-H"	44.97116
"1140585"	132.97916	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2Na-H"	44.97116
"181686"	110.997218	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+2Na"	45.978436
"615055"	155.001218	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+2Na"	45.978436
"1115998"	66.993218	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2Na"	45.978436
"1399651"	44.997904	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H+2Na"	46.985712
"1441498"	135.020746	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H+HCOOH"	47.012746
"230465"	116.03024	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+3H2O+2H"	56.04448
"1520350"	149.07279	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+IsoProp+H"	61.06479
"416753"	118.984188	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+Na+K"	61.952376
"776654"	162.988188	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+Na+K"	61.952376
"1669704"	74.980188	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Na+K"	61.952376
"255493"	240.031768	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+ACN+Na"	64.015768
"1226496"	152.023768	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+ACN+Na"	64.015768
"1714172"	152.047293	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+NH4+HCOOH"	64.039293
"1179641"	52.325218	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+3Na"	68.967654
"1650871"	157.002688	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Na+HCOOH"	68.994688
"158221"	252.93504	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+2K-H"	76.91904
"597286"	340.94304	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+2K-H"	76.91904
"1089831"	164.92704	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2K-H"	76.91904
"143367"	126.971158	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"2M+2K"	77.926316
"596710"	170.975158	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"3M+2K"	77.926316
"1081298"	82.967158	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2K"	77.926316
"1109039"	166.941592	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2K+H"	78.933592
"1347610"	167.029207	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+DMSO+H"	79.021207
"1016138"	171.068376	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2ACN+H"	83.060376
"1535357"	172.062008	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+IsoProp+Na+H"	84.054008
"995242"	86.037826	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+2ACN+2H"	84.067652
"1602153"	172.976628	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+K+HCOOH"	84.968628
"1429592"	203.008138	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+H+CF3COOH"	115.000138
"1158826"	106.551101	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+3ACN+2H"	125.094202
"1706189"	220.034685	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+NH4+CF3COOH"	132.026685
"1637466"	224.99008	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+Na+CF3COOH"	136.98208
"1578584"	240.96402	"C19208"	"Chloroprene;2-Chloro-13-butadiene"	"C4H5Cl"	"88.008"	"M+K+CF3COOH"	152.95602
"815512"	830.0763	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M"	0
"986857"	811.05791	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-H2O-H"	-19.01839
"72915"	552.376924	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M-3H"	-3.021828
"511382"	829.069024	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M-3H"	-3.021828
"892462"	275.684824	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-3H"	-3.021828
"5571"	829.069024	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M-2H"	-2.014552
"442217"	1244.107174	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M-2H"	-2.014552
"820019"	414.030874	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-2H"	-2.014552
"81834"	1659.145324	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M-H"	-1.007276
"520300"	2489.221624	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M-H"	-1.007276
"901385"	829.069024	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-H"	-1.007276
"59042"	1676.171871	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M-2H+NH4"	16.019271
"495320"	2506.248171	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M-2H+NH4"	16.019271
"868747"	846.095571	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-2H+NH4"	16.019271
"38841"	1681.127266	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M-2H+Na"	20.974666
"475120"	2511.203566	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M-2H+Na"	20.974666
"851096"	851.050966	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-2H+Na"	20.974666
"1631209"	851.050966	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Na-2H"	20.974666
"106643"	847.057363	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M-H+Cl"	33.962126
"545109"	1262.095513	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M-H+Cl"	33.962126
"930967"	432.019213	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-H+Cl"	33.962126
"282072"	1695.122002	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+Cl"	34.969402
"675542"	2525.198302	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+Cl"	34.969402
"1287494"	865.045702	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Cl"	34.969402
"31283"	1697.101206	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M-2H+K"	36.948606
"471071"	2527.177506	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M-2H+K"	36.948606
"846687"	867.024906	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-2H+K"	36.948606
"1570371"	867.024906	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+K-2H"	36.948606
"956474"	875.074494	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-H+HCOOH"	44.998194
"376637"	1705.150801	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+HCOOH-H"	44.998201
"361006"	1719.166451	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+Hac-H"	59.013851
"1506310"	889.090151	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Hac-H"	59.013851
"971054"	897.056451	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-H+NaCOOH"	66.980151
"124463"	865.045702	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+2Cl"	69.938804
"565368"	1280.083852	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+2Cl"	69.938804
"1036922"	450.007552	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2Cl"	69.938804
"1256934"	908.995185	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Br"	78.918885
"1319594"	911.051172	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Cl+HCOOH"	80.974872
"1334898"	933.033129	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Cl+NaCOOH"	102.956829
"926689"	943.061886	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M-H+CF3COOH"	112.985586
"1303631"	979.038564	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Cl+CF3COOH"	148.962264
"1382403"	795.063624	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H-2H2O"	-35.012676
"1393093"	813.0736	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H-H2O"	-17.0027
"290957"	1661.159876	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+H"	1.007276
"687387"	2491.236176	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+H"	1.007276
"1362641"	831.083576	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H"	1.007276
"136988"	831.083576	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+2H"	2.014552
"577643"	1246.121726	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+2H"	2.014552
"1047170"	416.045426	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2H"	2.014552
"212883"	554.391476	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+3H"	3.021828
"653539"	831.083576	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+3H"	3.021828
"1172758"	277.699376	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+3H"	3.021828
"429474"	1678.186423	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+NH4"	18.033823
"786336"	2508.262723	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+NH4"	18.033823
"1691905"	848.110123	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+NH4"	18.033823
"339453"	839.5968495	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+H+NH4"	19.041099
"735157"	1254.6349995	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+H+NH4"	19.041099
"1479135"	424.5586995	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H+NH4"	19.041099
"395627"	1683.141818	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+Na"	22.989218
"754914"	2513.218118	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+Na"	22.989218
"1606908"	853.065518	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Na"	22.989218
"321320"	842.074547	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+H+Na"	23.996494
"715932"	1257.112697	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+H+Na"	23.996494
"1469754"	427.036397	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H+Na"	23.996494
"1059717"	285.02669	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2H+Na"	25.00377
"1260302"	863.109786	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+CH3OH+H"	33.033486
"381063"	1699.115758	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+K"	38.963158
"742060"	2529.192058	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+K"	38.963158
"1541926"	869.039458	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+K"	38.963158
"302748"	850.061517	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+H+K"	39.970434
"694440"	1265.099667	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+H+K"	39.970434
"1446800"	435.023367	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H+K"	39.970434
"237952"	1702.186426	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+ACN+H"	42.033826
"1210170"	872.110126	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+ACN+H"	42.033826
"1194901"	436.558701	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+ACN+2H"	43.041102
"189471"	1705.12376	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+2Na-H"	44.97116
"631701"	2535.20006	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+2Na-H"	44.97116
"1143611"	875.04746	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2Na-H"	44.97116
"181796"	853.065518	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+2Na"	45.978436
"619174"	1268.103668	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+2Na"	45.978436
"1116110"	438.027368	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2Na"	45.978436
"1402923"	292.354004	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H+2Na"	46.985712
"1441974"	877.089046	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H+HCOOH"	47.012746
"232763"	858.09854	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+3H2O+2H"	56.04448
"1519367"	891.14109	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+IsoProp+H"	61.06479
"418322"	861.052488	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+Na+K"	61.952376
"777858"	1276.090638	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+Na+K"	61.952376
"1668722"	446.014338	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Na+K"	61.952376
"254510"	1724.168368	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+ACN+Na"	64.015768
"1226606"	894.092068	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+ACN+Na"	64.015768
"1716105"	894.115593	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+NH4+HCOOH"	64.039293
"1180364"	299.681318	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+3Na"	68.967654
"1650617"	899.070988	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Na+HCOOH"	68.994688
"157477"	1737.07164	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+2K-H"	76.91904
"597401"	2567.14794	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+2K-H"	76.91904
"1088848"	906.99534	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2K-H"	76.91904
"147486"	869.039458	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"2M+2K"	77.926316
"586319"	1284.077608	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"3M+2K"	77.926316
"1074840"	454.001308	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2K"	77.926316
"1109149"	909.009892	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2K+H"	78.933592
"1348813"	909.097507	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+DMSO+H"	79.021207
"1018435"	913.136676	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2ACN+H"	83.060376
"1536560"	914.130308	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+IsoProp+Na+H"	84.054008
"996445"	457.071976	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+2ACN+2H"	84.067652
"1601657"	915.044928	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+K+HCOOH"	84.968628
"1429378"	945.076438	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+H+CF3COOH"	115.000138
"1158936"	477.585251	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+3ACN+2H"	125.094202
"1706299"	962.102985	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+NH4+CF3COOH"	132.026685
"1637576"	967.05838	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+Na+CF3COOH"	136.98208
"1578694"	983.03232	"C19209"	"CI Acid red 114"	"C37H28N4O10S32Na"	"830.0763"	"M+K+CF3COOH"	152.95602
"814165"	323.1189	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M"	0
"984780"	304.10051	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-H2O-H"	-19.01839
"65371"	214.405324	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M-3H"	-3.021828
"504201"	322.111624	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M-3H"	-3.021828
"889292"	106.699024	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-3H"	-3.021828
"6772"	322.111624	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M-2H"	-2.014552
"441963"	483.671074	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M-2H"	-2.014552
"820857"	160.552174	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-2H"	-2.014552
"78782"	645.230524	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M-H"	-1.007276
"519067"	968.349424	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M-H"	-1.007276
"900765"	322.111624	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-H"	-1.007276
"55872"	662.257071	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M-2H+NH4"	16.019271
"493244"	985.375971	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M-2H+NH4"	16.019271
"867400"	339.138171	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-2H+NH4"	16.019271
"34571"	667.212466	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M-2H+Na"	20.974666
"473770"	990.331366	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M-2H+Na"	20.974666
"851934"	344.093566	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-2H+Na"	20.974666
"1629133"	344.093566	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Na-2H"	20.974666
"101286"	340.099963	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M-H+Cl"	33.962126
"538658"	501.659413	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M-H+Cl"	33.962126
"928891"	178.540513	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-H+Cl"	33.962126
"282174"	681.207202	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+Cl"	34.969402
"675084"	1004.326102	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+Cl"	34.969402
"1287845"	358.088302	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Cl"	34.969402
"30935"	683.186406	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M-2H+K"	36.948606
"470976"	1006.305306	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M-2H+K"	36.948606
"847766"	360.067506	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-2H+K"	36.948606
"1570521"	360.067506	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+K-2H"	36.948606
"956340"	368.117094	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-H+HCOOH"	44.998194
"375646"	691.236001	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+HCOOH-H"	44.998201
"360917"	705.251651	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+Hac-H"	59.013851
"1506176"	382.132751	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Hac-H"	59.013851
"971892"	390.099051	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-H+NaCOOH"	66.980151
"124449"	358.088302	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+2Cl"	69.938804
"564628"	519.647752	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+2Cl"	69.938804
"1036465"	196.528852	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2Cl"	69.938804
"1255914"	402.037785	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Br"	78.918885
"1319499"	404.093772	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Cl+HCOOH"	80.974872
"1333789"	426.075729	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Cl+NaCOOH"	102.956829
"926756"	436.104486	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M-H+CF3COOH"	112.985586
"1302892"	472.081164	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Cl+CF3COOH"	148.962264
"1377891"	288.106224	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H-2H2O"	-35.012676
"1395025"	306.1162	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H-H2O"	-17.0027
"291431"	647.245076	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+H"	1.007276
"687133"	970.363976	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+H"	1.007276
"1359835"	324.126176	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H"	1.007276
"137462"	324.126176	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+2H"	2.014552
"579819"	485.685626	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+2H"	2.014552
"1048008"	162.566726	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2H"	2.014552
"212993"	216.419876	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+3H"	3.021828
"653649"	324.126176	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+3H"	3.021828
"1175058"	108.713576	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+3H"	3.021828
"428491"	664.271623	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+NH4"	18.033823
"787297"	987.390523	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+NH4"	18.033823
"1689099"	341.152723	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+NH4"	18.033823
"339563"	332.6394495	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+H+NH4"	19.041099
"735267"	494.1988995	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+H+NH4"	19.041099
"1479245"	171.0799995	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H+NH4"	19.041099
"395737"	669.227018	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+Na"	22.989218
"754544"	992.345918	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+Na"	22.989218
"1607018"	346.108118	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Na"	22.989218
"321430"	335.117147	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+H+Na"	23.996494
"713856"	496.676597	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+H+Na"	23.996494
"1467676"	173.557697	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H+Na"	23.996494
"1056546"	116.04089	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2H+Na"	25.00377
"1259681"	356.152386	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+CH3OH+H"	33.033486
"380077"	685.200958	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+K"	38.963158
"741439"	1008.319858	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+K"	38.963158
"1542765"	362.082058	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+K"	38.963158
"299209"	343.104117	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+H+K"	39.970434
"694184"	504.663567	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+H+K"	39.970434
"1446546"	181.544667	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H+K"	39.970434
"237697"	688.271626	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+ACN+H"	42.033826
"1210400"	365.152726	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+ACN+H"	42.033826
"1195015"	183.080001	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+ACN+2H"	43.041102
"191898"	691.20896	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+2Na-H"	44.97116
"629146"	1014.32786	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+2Na-H"	44.97116
"1138618"	368.09006	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2Na-H"	44.97116
"179720"	346.108118	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+2Na"	45.978436
"616004"	507.667568	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+2Na"	45.978436
"1115688"	184.548668	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2Na"	45.978436
"1403033"	123.368204	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H+2Na"	46.985712
"1443539"	370.131646	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H+HCOOH"	47.012746
"233601"	351.14114	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+3H2O+2H"	56.04448
"1520569"	384.18369	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+IsoProp+H"	61.06479
"419160"	354.095088	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+Na+K"	61.952376
"777968"	515.654538	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+Na+K"	61.952376
"1668831"	192.535638	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Na+K"	61.952376
"253161"	710.253568	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+ACN+Na"	64.015768
"1226109"	387.134668	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+ACN+Na"	64.015768
"1713905"	387.158193	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+NH4+HCOOH"	64.039293
"1183392"	130.695518	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+3Na"	68.967654
"1650607"	392.113588	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Na+HCOOH"	68.994688
"157236"	723.15684	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+2K-H"	76.91904
"597131"	1046.27574	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+2K-H"	76.91904
"1088958"	400.03794	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2K-H"	76.91904
"146503"	362.082058	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"2M+2K"	77.926316
"588251"	523.641508	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"3M+2K"	77.926316
"1076043"	200.522608	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2K"	77.926316
"1100049"	402.052492	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2K+H"	78.933592
"1339440"	402.140107	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+DMSO+H"	79.021207
"1017452"	406.179276	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2ACN+H"	83.060376
"1535577"	407.172908	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+IsoProp+Na+H"	84.054008
"997648"	203.593276	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+2ACN+2H"	84.067652
"1602009"	408.087528	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+K+HCOOH"	84.968628
"1429124"	438.119038	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+H+CF3COOH"	115.000138
"1159046"	224.106551	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+3ACN+2H"	125.094202
"1706409"	455.145585	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+NH4+CF3COOH"	132.026685
"1637686"	460.10098	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+Na+CF3COOH"	136.98208
"1578804"	476.07492	"C19210"	"CI Basic red 9"	"C19H17N3HCl"	"323.1189"	"M+K+CF3COOH"	152.95602
"801753"	378.8844	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M"	0
"979421"	359.86601	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-H2O-H"	-19.01839
"68759"	251.582324	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M-3H"	-3.021828
"509414"	377.877124	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M-3H"	-3.021828
"891588"	125.287524	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-3H"	-3.021828
"9071"	377.877124	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M-2H"	-2.014552
"440125"	567.319324	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M-2H"	-2.014552
"820237"	188.434924	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-2H"	-2.014552
"81319"	756.761524	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M-H"	-1.007276
"520881"	1135.645924	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M-H"	-1.007276
"897585"	377.877124	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-H"	-1.007276
"48683"	773.788071	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M-2H+NH4"	16.019271
"490798"	1152.672471	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M-2H+NH4"	16.019271
"868966"	394.903671	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-2H+NH4"	16.019271
"35044"	778.743466	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M-2H+Na"	20.974666
"474605"	1157.627866	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M-2H+Na"	20.974666
"850578"	399.859066	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-2H+Na"	20.974666
"1624865"	399.859066	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Na-2H"	20.974666
"100299"	395.865463	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M-H+Cl"	33.962126
"538765"	585.307663	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M-H+Cl"	33.962126
"928997"	206.423263	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-H+Cl"	33.962126
"276311"	792.738202	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+Cl"	34.969402
"675301"	1171.622602	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+Cl"	34.969402
"1288360"	413.853802	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Cl"	34.969402
"31209"	794.717406	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M-2H+K"	36.948606
"470800"	1173.601806	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M-2H+K"	36.948606
"847140"	415.833006	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-2H+K"	36.948606
"1568928"	415.833006	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+K-2H"	36.948606
"956081"	423.882594	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-H+HCOOH"	44.998194
"375024"	802.767001	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+HCOOH-H"	44.998201
"358178"	816.782651	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+Hac-H"	59.013851
"1505550"	437.898251	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Hac-H"	59.013851
"969811"	445.864551	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-H+NaCOOH"	66.980151
"120904"	413.853802	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+2Cl"	69.938804
"564119"	603.296002	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+2Cl"	69.938804
"1035350"	224.411602	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2Cl"	69.938804
"1251767"	457.803285	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Br"	78.918885
"1317495"	459.859272	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Cl+HCOOH"	80.974872
"1332440"	481.841229	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Cl+NaCOOH"	102.956829
"922038"	491.869986	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M-H+CF3COOH"	112.985586
"1296559"	527.846664	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Cl+CF3COOH"	148.962264
"1375814"	343.871724	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H-2H2O"	-35.012676
"1386746"	361.8817	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H-H2O"	-17.0027
"290807"	758.776076	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+H"	1.007276
"684322"	1137.660476	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+H"	1.007276
"1358485"	379.891676	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H"	1.007276
"133560"	379.891676	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+2H"	2.014552
"574213"	569.333876	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+2H"	2.014552
"1039732"	190.449476	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2H"	2.014552
"209820"	253.596876	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+3H"	3.021828
"647192"	379.891676	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+3H"	3.021828
"1168601"	127.302076	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+3H"	3.021828
"424340"	775.802623	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+NH4"	18.033823
"787409"	1154.687023	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+NH4"	18.033823
"1687021"	396.918223	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+NH4"	18.033823
"338580"	388.4049495	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+H+NH4"	19.041099
"734284"	577.8471495	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+H+NH4"	19.041099
"1481541"	198.9627495	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H+NH4"	19.041099
"394754"	780.758018	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+Na"	22.989218
"760124"	1159.642418	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+Na"	22.989218
"1609317"	401.873618	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Na"	22.989218
"321540"	390.882647	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+H+Na"	23.996494
"709228"	580.324847	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+H+Na"	23.996494
"1461539"	201.440447	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H+Na"	23.996494
"1053375"	134.62939	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2H+Na"	25.00377
"1257969"	411.917886	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+CH3OH+H"	33.033486
"378365"	796.731958	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+K"	38.963158
"741179"	1175.616358	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+K"	38.963158
"1540361"	417.847558	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+K"	38.963158
"298955"	398.869617	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+H+K"	39.970434
"691736"	588.311817	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+H+K"	39.970434
"1445698"	209.427417	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H+K"	39.970434
"235746"	799.802626	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+ACN+H"	42.033826
"1210086"	420.918226	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+ACN+H"	42.033826
"1194757"	210.962751	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+ACN+2H"	43.041102
"188676"	802.73996	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+2Na-H"	44.97116
"630222"	1181.62436	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+2Na-H"	44.97116
"1140915"	423.85556	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2Na-H"	44.97116
"179830"	401.873618	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+2Na"	45.978436
"616235"	591.315818	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+2Na"	45.978436
"1115881"	212.431418	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2Na"	45.978436
"1399984"	141.956704	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H+2Na"	46.985712
"1442556"	425.897146	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H+HCOOH"	47.012746
"233711"	406.90664	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+3H2O+2H"	56.04448
"1521045"	439.94919	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+IsoProp+H"	61.06479
"419270"	409.860588	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+Na+K"	61.952376
"778078"	599.302788	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+Na+K"	61.952376
"1668941"	220.418388	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Na+K"	61.952376
"252297"	821.784568	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+ACN+Na"	64.015768
"1226178"	442.900168	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+ACN+Na"	64.015768
"1715596"	442.923693	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+NH4+HCOOH"	64.039293
"1181679"	149.284018	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+3Na"	68.967654
"1651205"	447.879088	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Na+HCOOH"	68.994688
"157700"	834.68784	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+2K-H"	76.91904
"597130"	1213.57224	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+2K-H"	76.91904
"1089068"	455.80344	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2K-H"	76.91904
"144790"	417.847558	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"2M+2K"	77.926316
"586175"	607.289758	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"3M+2K"	77.926316
"1071780"	228.405358	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2K"	77.926316
"1100041"	457.817992	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2K+H"	78.933592
"1338093"	457.905607	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+DMSO+H"	79.021207
"1013189"	461.944776	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2ACN+H"	83.060376
"1533499"	462.938408	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+IsoProp+Na+H"	84.054008
"993386"	231.476026	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+2ACN+2H"	84.067652
"1601634"	463.853028	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+K+HCOOH"	84.968628
"1427775"	493.884538	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+H+CF3COOH"	115.000138
"1159156"	251.989301	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+3ACN+2H"	125.094202
"1706519"	510.911085	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+NH4+CF3COOH"	132.026685
"1637796"	515.86648	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+Na+CF3COOH"	136.98208
"1578914"	531.84042	"C19211"	"1-Amino-24-dibromoanthraquinone"	"C14H7Br2NO2"	"378.8844"	"M+K+CF3COOH"	152.95602
"801984"	171.8927	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M"	0
"979531"	152.87431	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-H2O-H"	-19.01839
"68866"	113.587857333333	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M-3H"	-3.021828
"511711"	170.885424	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M-3H"	-3.021828
"888418"	56.2902906666667	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-3H"	-3.021828
"10274"	170.885424	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M-2H"	-2.014552
"442180"	256.831774	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M-2H"	-2.014552
"822169"	84.939074	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-2H"	-2.014552
"82160"	342.778124	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M-H"	-1.007276
"522813"	514.670824	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M-H"	-1.007276
"897697"	170.885424	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-H"	-1.007276
"49158"	359.804671	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M-2H+NH4"	16.019271
"490179"	531.697371	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M-2H+NH4"	16.019271
"867984"	187.911971	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-2H+NH4"	16.019271
"35884"	364.760066	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M-2H+Na"	20.974666
"472888"	536.652766	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M-2H+Na"	20.974666
"850689"	192.867366	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-2H+Na"	20.974666
"1624975"	192.867366	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Na-2H"	20.974666
"100409"	188.873763	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M-H+Cl"	33.962126
"536686"	274.820113	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M-H+Cl"	33.962126
"929107"	102.927413	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-H+Cl"	33.962126
"273141"	378.754802	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+Cl"	34.969402
"674314"	550.647502	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+Cl"	34.969402
"1288229"	206.862102	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Cl"	34.969402
"30986"	380.734006	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M-2H+K"	36.948606
"469571"	552.626706	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M-2H+K"	36.948606
"846644"	208.841306	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-2H+K"	36.948606
"1569767"	208.841306	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+K-2H"	36.948606
"956918"	216.890894	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-H+HCOOH"	44.998194
"376226"	388.783601	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+HCOOH-H"	44.998201
"359017"	402.799251	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+Hac-H"	59.013851
"1505296"	230.906551	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Hac-H"	59.013851
"969193"	238.872851	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-H+NaCOOH"	66.980151
"121014"	206.862102	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+2Cl"	69.938804
"562407"	292.808452	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+2Cl"	69.938804
"1033030"	120.915752	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2Cl"	69.938804
"1253334"	250.811585	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Br"	78.918885
"1317605"	252.867572	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Cl+HCOOH"	80.974872
"1331091"	274.849529	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Cl+NaCOOH"	102.956829
"917774"	284.878286	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M-H+CF3COOH"	112.985586
"1295576"	320.854964	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Cl+CF3COOH"	148.962264
"1372641"	136.880024	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H-2H2O"	-35.012676
"1387949"	154.89	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H-H2O"	-17.0027
"285448"	344.792676	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+H"	1.007276
"683337"	516.685376	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+H"	1.007276
"1359689"	172.899976	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H"	1.007276
"135130"	172.899976	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+2H"	2.014552
"573229"	258.846326	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+2H"	2.014552
"1042029"	86.953626	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2H"	2.014552
"206650"	115.602409333333	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+3H"	3.021828
"648396"	172.899976	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+3H"	3.021828
"1168711"	58.3048426666667	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+3H"	3.021828
"424493"	361.819223	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+NH4"	18.033823
"790799"	533.711923	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+NH4"	18.033823
"1681457"	189.926523	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+NH4"	18.033823
"339784"	181.4132495	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+H+NH4"	19.041099
"735488"	267.3595995	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+H+NH4"	19.041099
"1481652"	95.4668995	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H+NH4"	19.041099
"398145"	366.774618	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+Na"	22.989218
"762421"	538.667318	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+Na"	22.989218
"1608334"	194.881918	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Na"	22.989218
"320558"	183.890947	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+H+Na"	23.996494
"708242"	269.837297	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+H+Na"	23.996494
"1461691"	97.944597	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H+Na"	23.996494
"1053074"	65.6321566666667	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2H+Na"	25.00377
"1258444"	204.926186	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+CH3OH+H"	33.033486
"382483"	382.748558	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+K"	38.963158
"740200"	554.641258	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+K"	38.963158
"1541525"	210.855858	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+K"	38.963158
"299430"	191.877917	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+H+K"	39.970434
"691382"	277.824267	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+H+K"	39.970434
"1445819"	105.931567	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H+K"	39.970434
"235711"	385.819226	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+ACN+H"	42.033826
"1210624"	213.926526	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+ACN+H"	42.033826
"1195109"	107.466901	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+ACN+2H"	43.041102
"189076"	388.75656	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+2Na-H"	44.97116
"630939"	560.64926	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+2Na-H"	44.97116
"1141025"	216.86386	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2Na-H"	44.97116
"179940"	194.881918	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+2Na"	45.978436
"624968"	280.828268	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+2Na"	45.978436
"1124103"	108.935568	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2Na"	45.978436
"1400094"	72.9594706666667	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H+2Na"	46.985712
"1433184"	218.905446	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H+HCOOH"	47.012746
"233821"	199.91494	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+3H2O+2H"	56.04448
"1522492"	232.95749	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+IsoProp+H"	61.06479
"419380"	202.868888	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+Na+K"	61.952376
"778188"	288.815238	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+Na+K"	61.952376
"1669053"	116.922538	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Na+K"	61.952376
"254841"	407.801168	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+ACN+Na"	64.015768
"1228278"	235.908468	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+ACN+Na"	64.015768
"1717166"	235.931993	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+NH4+HCOOH"	64.039293
"1181059"	80.2867846666667	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+3Na"	68.967654
"1650013"	240.887388	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Na+HCOOH"	68.994688
"159270"	420.70444	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+2K-H"	76.91904
"597163"	592.59714	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+2K-H"	76.91904
"1091000"	248.81174	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2K-H"	76.91904
"146722"	210.855858	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"2M+2K"	77.926316
"587377"	296.802208	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"3M+2K"	77.926316
"1070795"	124.909508	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2K"	77.926316
"1104004"	250.826292	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2K+H"	78.933592
"1340389"	250.913907	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+DMSO+H"	79.021207
"1016579"	254.953076	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2ACN+H"	83.060376
"1532516"	255.946708	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+IsoProp+Na+H"	84.054008
"998964"	127.980176	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+2ACN+2H"	84.067652
"1601497"	256.861328	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+K+HCOOH"	84.968628
"1425696"	286.892838	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+H+CF3COOH"	115.000138
"1158538"	148.493451	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+3ACN+2H"	125.094202
"1709909"	303.919385	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+NH4+CF3COOH"	132.026685
"1641186"	308.87478	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+Na+CF3COOH"	136.98208
"1579024"	324.84872	"C19212"	"Bromochloroacetic acid"	"C2H2BrClO2"	"171.8927"	"M+K+CF3COOH"	152.95602
"802828"	996.0035	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M"	0
"982921"	976.98511	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-H2O-H"	-19.01839
"71164"	662.995057333333	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M-3H"	-3.021828
"517815"	994.996224	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M-3H"	-3.021828
"894725"	330.993890666667	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-3H"	-3.021828
"15574"	994.996224	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M-2H"	-2.014552
"443384"	1492.997974	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M-2H"	-2.014552
"820094"	496.994474	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-2H"	-2.014552
"84458"	1990.999724	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M-H"	-1.007276
"528391"	2987.003224	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M-H"	-1.007276
"901819"	994.996224	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-H"	-1.007276
"52185"	2008.026271	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M-2H+NH4"	16.019271
"491382"	3004.029771	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M-2H+NH4"	16.019271
"870283"	1012.022771	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-2H+NH4"	16.019271
"37090"	2012.981666	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M-2H+Na"	20.974666
"475550"	3008.985166	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M-2H+Na"	20.974666
"851895"	1016.978166	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-2H+Na"	20.974666
"1628365"	1016.978166	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Na-2H"	20.974666
"102706"	1012.984563	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M-H+Cl"	33.962126
"536068"	1510.986313	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M-H+Cl"	33.962126
"927880"	514.982813	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-H+Cl"	33.962126
"273251"	2026.976402	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+Cl"	34.969402
"675403"	3022.979902	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+Cl"	34.969402
"1288093"	1030.972902	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Cl"	34.969402
"29760"	2028.955606	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M-2H+K"	36.948606
"469316"	3024.959106	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M-2H+K"	36.948606
"845660"	1032.952106	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-2H+K"	36.948606
"1570605"	1032.952106	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+K-2H"	36.948606
"955936"	1041.001694	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-H+HCOOH"	44.998194
"375246"	2037.005201	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+HCOOH-H"	44.998201
"359855"	2051.020851	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+Hac-H"	59.013851
"1499208"	1055.017351	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Hac-H"	59.013851
"969667"	1062.983651	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-H+NaCOOH"	66.980151
"121124"	1030.972902	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+2Cl"	69.938804
"562517"	1528.974652	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+2Cl"	69.938804
"1032412"	532.971152	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2Cl"	69.938804
"1251259"	1074.922385	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Br"	78.918885
"1312613"	1076.978372	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Cl+HCOOH"	80.974872
"1329016"	1098.960329	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Cl+NaCOOH"	102.956829
"925176"	1108.989086	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M-H+CF3COOH"	112.985586
"1296780"	1144.965764	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Cl+CF3COOH"	148.962264
"1381139"	960.990824	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H-2H2O"	-35.012676
"1394625"	979.0008	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H-H2O"	-17.0027
"297226"	1993.014276	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+H"	1.007276
"688188"	2989.017776	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+H"	1.007276
"1361255"	997.010776	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H"	1.007276
"137061"	997.010776	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+2H"	2.014552
"575891"	1495.012526	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+2H"	2.014552
"1045786"	499.009026	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2H"	2.014552
"213320"	665.009609333333	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+3H"	3.021828
"651787"	997.010776	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+3H"	3.021828
"1165540"	333.008442666667	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+3H"	3.021828
"426633"	2010.040823	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+NH4"	18.033823
"786169"	3006.044323	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+NH4"	18.033823
"1682136"	1014.037323	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+NH4"	18.033823
"338800"	1005.5240495	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+H+NH4"	19.041099
"735601"	1503.5257995	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+H+NH4"	19.041099
"1491726"	507.5222995	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H+NH4"	19.041099
"407490"	2014.996218	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+Na"	22.989218
"768850"	3010.999718	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+Na"	22.989218
"1612818"	1018.992718	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Na"	22.989218
"327597"	1008.001747	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+H+Na"	23.996494
"715280"	1506.003497	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+H+Na"	23.996494
"1463995"	509.999997	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H+Na"	23.996494
"1057605"	340.335756666667	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2H+Na"	25.00377
"1265115"	1029.036986	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+CH3OH+H"	33.033486
"384782"	2030.970158	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+K"	38.963158
"745779"	3026.973658	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+K"	38.963158
"1545645"	1034.966658	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+K"	38.963158
"303916"	1015.988717	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+H+K"	39.970434
"692324"	1513.990467	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+H+K"	39.970434
"1453436"	517.986967	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H+K"	39.970434
"238392"	2034.040826	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+ACN+H"	42.033826
"1213653"	1038.037326	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+ACN+H"	42.033826
"1195711"	519.522301	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+ACN+2H"	43.041102
"191134"	2036.97816	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+2Na-H"	44.97116
"629234"	3032.98166	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+2Na-H"	44.97116
"1141135"	1040.97466	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2Na-H"	44.97116
"180050"	1018.992718	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+2Na"	45.978436
"625079"	1516.994468	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+2Na"	45.978436
"1124214"	520.990968	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2Na"	45.978436
"1401176"	347.663070666667	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H+2Na"	46.985712
"1437668"	1043.016246	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H+HCOOH"	47.012746
"226269"	1024.02574	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+3H2O+2H"	56.04448
"1515427"	1057.06829	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+IsoProp+H"	61.06479
"418393"	1026.979688	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+Na+K"	61.952376
"775382"	1524.981438	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+Na+K"	61.952376
"1671350"	528.977938	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Na+K"	61.952376
"254588"	2056.022768	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+ACN+Na"	64.015768
"1229481"	1060.019268	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+ACN+Na"	64.015768
"1722744"	1060.042793	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+NH4+HCOOH"	64.039293
"1180806"	354.990384666667	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+3Na"	68.967654
"1651790"	1064.998188	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Na+HCOOH"	68.994688
"158650"	2068.92604	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+2K-H"	76.91904
"599304"	3064.92954	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+2K-H"	76.91904
"1084547"	1072.92254	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2K-H"	76.91904
"141847"	1034.966658	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"2M+2K"	77.926316
"586394"	1532.968408	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"3M+2K"	77.926316
"1071633"	536.964908	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2K"	77.926316
"1100183"	1074.937092	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2K+H"	78.933592
"1337948"	1075.024707	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+DMSO+H"	79.021207
"1014502"	1079.063876	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2ACN+H"	83.060376
"1532626"	1080.057508	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+IsoProp+Na+H"	84.054008
"995793"	540.035576	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+2ACN+2H"	84.067652
"1599055"	1080.972128	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+K+HCOOH"	84.968628
"1422525"	1111.003638	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+H+CF3COOH"	115.000138
"1156094"	560.548851	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+3ACN+2H"	125.094202
"1700178"	1128.030185	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+NH4+CF3COOH"	132.026685
"1641296"	1132.98558	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+Na+CF3COOH"	136.98208
"1582414"	1148.95952	"C19213"	"CI Direct blue 15"	"C34H28N6O16S44Na"	"996.0035"	"M+K+CF3COOH"	152.95602
"808406"	308.1161	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M"	0
"978658"	289.09771	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-H2O-H"	-19.01839
"69087"	204.403457333333	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M-3H"	-3.021828
"505370"	307.108824	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M-3H"	-3.021828
"893011"	101.698090666667	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-3H"	-3.021828
"13776"	307.108824	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M-2H"	-2.014552
"453333"	461.166874	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M-2H"	-2.014552
"828948"	153.050774	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-2H"	-2.014552
"90033"	615.224924	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M-H"	-1.007276
"526316"	923.341024	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M-H"	-1.007276
"900837"	307.108824	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-H"	-1.007276
"51932"	632.251471	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M-2H+NH4"	16.019271
"491493"	940.367571	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M-2H+NH4"	16.019271
"871487"	324.135371	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-2H+NH4"	16.019271
"35014"	637.206866	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M-2H+Na"	20.974666
"476026"	945.322966	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M-2H+Na"	20.974666
"853463"	329.090766	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-2H+Na"	20.974666
"1623006"	329.090766	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Na-2H"	20.974666
"98441"	325.097163	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M-H+Cl"	33.962126
"537998"	479.155213	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M-H+Cl"	33.962126
"929689"	171.039113	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-H+Cl"	33.962126
"275547"	651.201602	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+Cl"	34.969402
"671251"	959.317702	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+Cl"	34.969402
"1287919"	343.085502	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Cl"	34.969402
"31084"	653.180806	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M-2H+K"	36.948606
"471212"	961.296906	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M-2H+K"	36.948606
"848200"	345.064706	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-2H+K"	36.948606
"1571150"	345.064706	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+K-2H"	36.948606
"953494"	353.114294	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-H+HCOOH"	44.998194
"374990"	661.230401	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+HCOOH-H"	44.998201
"359601"	675.246051	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+Hac-H"	59.013851
"1499318"	367.129951	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Hac-H"	59.013851
"968683"	375.096251	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-H+NaCOOH"	66.980151
"116859"	343.085502	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+2Cl"	69.938804
"562262"	497.143552	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+2Cl"	69.938804
"1031791"	189.027452	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2Cl"	69.938804
"1251369"	387.034985	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Br"	78.918885
"1314910"	389.090972	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Cl+HCOOH"	80.974872
"1328032"	411.072929	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Cl+NaCOOH"	102.956829
"923464"	421.101686	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M-H+CF3COOH"	112.985586
"1295796"	457.078364	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Cl+CF3COOH"	148.962264
"1378332"	273.103424	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H-2H2O"	-35.012676
"1391454"	291.1134	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H-H2O"	-17.0027
"294419"	617.239476	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+H"	1.007276
"688297"	925.355576	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+H"	1.007276
"1361365"	309.123376	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H"	1.007276
"136075"	309.123376	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+2H"	2.014552
"576730"	463.181426	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+2H"	2.014552
"1047718"	155.065326	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2H"	2.014552
"211243"	206.418009333333	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+3H"	3.021828
"652990"	309.123376	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+3H"	3.021828
"1166743"	103.712642666667	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+3H"	3.021828
"425892"	634.266023	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+NH4"	18.033823
"785791"	942.382123	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+NH4"	18.033823
"1681517"	326.149923	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+NH4"	18.033823
"338910"	317.6366495	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+H+NH4"	19.041099
"736436"	471.6946995	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+H+NH4"	19.041099
"1487338"	163.5785995	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H+NH4"	19.041099
"404560"	639.221418	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+Na"	22.989218
"769202"	947.337518	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+Na"	22.989218
"1612928"	331.105318	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Na"	22.989218
"328070"	320.114347	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+H+Na"	23.996494
"715390"	474.172397	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+H+Na"	23.996494
"1462764"	166.056297	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H+Na"	23.996494
"1059174"	111.039956666667	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2H+Na"	25.00377
"1266320"	341.149586	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+CH3OH+H"	33.033486
"384895"	655.195358	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+K"	38.963158
"748076"	963.311458	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+K"	38.963158
"1546849"	347.079258	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+K"	38.963158
"307305"	328.101317	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+H+K"	39.970434
"693161"	482.159367	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+H+K"	39.970434
"1453546"	174.043267	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H+K"	39.970434
"239231"	658.266026	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+ACN+H"	42.033826
"1214127"	350.149926	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+ACN+H"	42.033826
"1200927"	175.578601	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+ACN+2H"	43.041102
"193069"	661.20336	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+2Na-H"	44.97116
"631899"	969.31946	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+2Na-H"	44.97116
"1143432"	353.08726	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2Na-H"	44.97116
"182348"	331.105318	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+2Na"	45.978436
"625190"	485.163368	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+2Na"	45.978436
"1123231"	177.047268	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2Na"	45.978436
"1399583"	118.367270666667	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H+2Na"	46.985712
"1437778"	355.128846	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H+HCOOH"	47.012746
"226379"	336.13834	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+3H2O+2H"	56.04448
"1515537"	369.18089	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+IsoProp+H"	61.06479
"418503"	339.092288	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+Na+K"	61.952376
"775128"	493.150338	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+Na+K"	61.952376
"1669273"	185.034238	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Na+K"	61.952376
"254698"	680.247968	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+ACN+Na"	64.015768
"1230685"	372.131868	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+ACN+Na"	64.015768
"1717387"	372.155393	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+NH4+HCOOH"	64.039293
"1181645"	125.694584666667	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+3Na"	68.967654
"1652264"	377.110788	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Na+HCOOH"	68.994688
"160218"	693.15124	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+2K-H"	76.91904
"601239"	1001.26734	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+2K-H"	76.91904
"1086111"	385.03514	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2K-H"	76.91904
"143051"	347.079258	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"2M+2K"	77.926316
"583219"	501.137308	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"3M+2K"	77.926316
"1070648"	193.021208	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2K"	77.926316
"1101181"	387.049692	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2K+H"	78.933592
"1337083"	387.137307	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+DMSO+H"	79.021207
"1008050"	391.176476	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2ACN+H"	83.060376
"1530549"	392.170108	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+IsoProp+Na+H"	84.054008
"995903"	196.091876	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+2ACN+2H"	84.067652
"1599166"	393.084728	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+K+HCOOH"	84.968628
"1420448"	423.116238	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+H+CF3COOH"	115.000138
"1156204"	216.605151	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+3ACN+2H"	125.094202
"1700288"	440.142785	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+NH4+CF3COOH"	132.026685
"1638126"	445.09818	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+Na+CF3COOH"	136.98208
"1573776"	461.07212	"C19214"	"Citrus Red No2;Citrus Red 2"	"C18H16N2O3"	"308.1161"	"M+K+CF3COOH"	152.95602
"806328"	280.9589	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M"	0
"983141"	261.94051	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-H2O-H"	-19.01839
"72477"	186.298657333333	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M-3H"	-3.021828
"513134"	279.951624	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M-3H"	-3.021828
"892028"	92.6456906666667	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-3H"	-3.021828
"14980"	279.951624	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M-2H"	-2.014552
"450163"	420.431074	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M-2H"	-2.014552
"825778"	139.472174	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-2H"	-2.014552
"87956"	560.910524	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M-H"	-1.007276
"526426"	841.869424	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M-H"	-1.007276
"900949"	279.951624	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-H"	-1.007276
"52042"	577.937071	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M-2H+NH4"	16.019271
"492696"	858.895971	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M-2H+NH4"	16.019271
"871598"	296.978171	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-2H+NH4"	16.019271
"36218"	582.892466	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M-2H+Na"	20.974666
"474680"	863.851366	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M-2H+Na"	20.974666
"851755"	301.933566	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-2H+Na"	20.974666
"1622022"	301.933566	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Na-2H"	20.974666
"98550"	297.939963	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M-H+Cl"	33.962126
"535922"	438.419413	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M-H+Cl"	33.962126
"930892"	157.460513	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-H+Cl"	33.962126
"276750"	596.887202	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+Cl"	34.969402
"671728"	877.846102	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+Cl"	34.969402
"1288301"	315.928302	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Cl"	34.969402
"31333"	598.866406	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M-2H+K"	36.948606
"471242"	879.825306	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M-2H+K"	36.948606
"848194"	317.907506	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-2H+K"	36.948606
"1566088"	317.907506	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+K-2H"	36.948606
"950689"	325.957094	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-H+HCOOH"	44.998194
"372913"	606.916001	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+HCOOH-H"	44.998201
"357889"	620.931651	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+Hac-H"	59.013851
"1502708"	339.972751	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Hac-H"	59.013851
"973170"	347.939051	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-H+NaCOOH"	66.980151
"120251"	315.928302	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+2Cl"	69.938804
"562372"	456.407752	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+2Cl"	69.938804
"1030808"	175.448852	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2Cl"	69.938804
"1249294"	359.877785	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Br"	78.918885
"1313928"	361.933772	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Cl+HCOOH"	80.974872
"1330331"	383.915729	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Cl+NaCOOH"	102.956829
"925764"	393.944486	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M-H+CF3COOH"	112.985586
"1303523"	429.921164	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Cl+CF3COOH"	148.962264
"1381968"	245.946224	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H-2H2O"	-35.012676
"1397398"	263.9562	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H-H2O"	-17.0027
"297081"	562.925076	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+H"	1.007276
"684397"	843.883976	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+H"	1.007276
"1358559"	281.966176	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H"	1.007276
"128165"	281.966176	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+2H"	2.014552
"568819"	422.445626	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+2H"	2.014552
"1045640"	141.486726	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2H"	2.014552
"209166"	188.313209333333	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+3H"	3.021828
"649819"	281.966176	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+3H"	3.021828
"1165760"	94.6602426666667	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+3H"	3.021828
"429040"	579.951623	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+NH4"	18.033823
"786510"	860.910523	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+NH4"	18.033823
"1687460"	298.992723	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+NH4"	18.033823
"333552"	290.4794495	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+H+NH4"	19.041099
"738252"	430.9588995	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+H+NH4"	19.041099
"1487448"	149.9999995	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H+NH4"	19.041099
"403941"	584.907018	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+Na"	22.989218
"769276"	865.865918	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+Na"	22.989218
"1618023"	303.948118	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Na"	22.989218
"328912"	292.957147	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+H+Na"	23.996494
"717687"	433.436597	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+H+Na"	23.996494
"1466040"	152.477697	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H+Na"	23.996494
"1060377"	101.987556666667	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2H+Na"	25.00377
"1268616"	313.992386	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+CH3OH+H"	33.033486
"388285"	600.880958	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+K"	38.963158
"750372"	881.839858	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+K"	38.963158
"1548051"	319.922058	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+K"	38.963158
"309601"	300.944117	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+H+K"	39.970434
"693999"	441.423567	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+H+K"	39.970434
"1450376"	160.464667	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H+K"	39.970434
"237884"	603.951626	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+ACN+H"	42.033826
"1212780"	322.992726	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+ACN+H"	42.033826
"1201037"	162.000001	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+ACN+2H"	43.041102
"192815"	606.88896	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+2Na-H"	44.97116
"631281"	887.84786	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+2Na-H"	44.97116
"1145365"	325.93006	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2Na-H"	44.97116
"183551"	303.948118	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+2Na"	45.978436
"625301"	444.427568	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+2Na"	45.978436
"1125527"	163.468668	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2Na"	45.978436
"1399203"	109.314870666667	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H+2Na"	46.985712
"1436794"	327.971646	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H+HCOOH"	47.012746
"223209"	308.98114	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+3H2O+2H"	56.04448
"1518927"	342.02369	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+IsoProp+H"	61.06479
"419706"	311.935088	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+Na+K"	61.952376
"780703"	452.414538	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+Na+K"	61.952376
"1669383"	171.455638	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Na+K"	61.952376
"259181"	625.933568	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+ACN+Na"	64.015768
"1231888"	344.974668	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+ACN+Na"	64.015768
"1719683"	344.998193	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+NH4+HCOOH"	64.039293
"1185036"	116.642184666667	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+3Na"	68.967654
"1658207"	349.953588	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Na+HCOOH"	68.994688
"162881"	638.83684	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+2K-H"	76.91904
"601348"	919.79574	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+2K-H"	76.91904
"1086951"	357.87794	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2K-H"	76.91904
"144861"	319.922058	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"2M+2K"	77.926316
"583815"	460.401508	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"3M+2K"	77.926316
"1072216"	179.442608	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2K"	77.926316
"1101536"	359.892492	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2K+H"	78.933592
"1338165"	359.980107	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+DMSO+H"	79.021207
"1010347"	364.019276	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2ACN+H"	83.060376
"1532846"	365.012908	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+IsoProp+Na+H"	84.054008
"996012"	182.513276	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+2ACN+2H"	84.067652
"1599641"	365.927528	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+K+HCOOH"	84.968628
"1420558"	395.959038	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+H+CF3COOH"	115.000138
"1156314"	203.026551	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+3ACN+2H"	125.094202
"1706959"	412.985585	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+NH4+CF3COOH"	132.026685
"1641516"	417.94098	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+Na+CF3COOH"	136.98208
"1579354"	433.91492	"C19215"	"Cobalt sulfate;Cobalt(II) sulfate"	"CoSO47H2O"	"280.9589"	"M+K+CF3COOH"	152.95602
"802428"	137.0841	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M"	0
"982158"	118.06571	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"64932"	90.382124	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"512151"	136.076824	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"891045"	44.687424	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"12539"	136.076824	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"451367"	204.618874	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"829168"	67.534774	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"89161"	273.160924	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"528721"	410.245024	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"897779"	136.076824	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"47897"	290.187471	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"487231"	427.271571	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"871708"	153.103371	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"38515"	295.142866	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"475888"	432.226966	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"850043"	158.058766	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1619945"	158.058766	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"98660"	154.065163	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"537489"	222.607213	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"929180"	85.523113	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"277953"	309.137602	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"673294"	446.221702	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1288396"	172.053502	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"31321"	311.116806	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"471366"	448.200906	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"848380"	174.032706	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1570854"	174.032706	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"955172"	182.082294	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"373388"	319.166401	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"359821"	333.182051	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1500632"	196.097951	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"973403"	204.064251	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"119997"	172.053502	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"563212"	240.595552	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1033104"	103.511452	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1249404"	216.002985	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1316224"	218.058972	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1333357"	240.040929	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"926848"	250.069686	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1303313"	286.046364	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1382402"	102.071424	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1398202"	120.0814	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"296098"	275.175476	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"684507"	412.259576	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1357940"	138.091376	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"128639"	138.091376	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"569293"	206.633426	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1043564"	69.549326	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"208183"	92.396676	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"647743"	138.091376	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1165870"	46.701976	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"431337"	292.202023	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"786500"	429.286123	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1684290"	155.117923	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"336942"	146.6046495	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"736290"	215.1466995	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1488651"	78.0625995	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"401864"	297.157418	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"769755"	434.241518	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1614242"	160.073318	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"328654"	149.082347	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"717797"	217.624397	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1467244"	80.540297	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1057207"	54.02929	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1266539"	170.117586	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"387300"	313.131358	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"746108"	450.215458	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1547068"	176.047258	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"306432"	157.069317	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"691923"	225.611367	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1450486"	88.527267	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"241274"	316.202026	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1221638"	179.117926	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1205522"	90.062601	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"195112"	319.13936	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"630298"	456.22346	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1142559"	182.05526	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"186578"	160.073318	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"626505"	228.615368	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1126731"	91.531268	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1406973"	61.356604	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1436904"	184.096846	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"226599"	165.10634	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1521224"	198.14889	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"419816"	168.060288	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"783729"	236.602338	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1671681"	99.518238	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"256012"	338.183968	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1233092"	201.099868	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1718700"	201.123393	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1184054"	68.683918	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1656130"	206.078788	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"164085"	351.08724	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"601458"	488.17134	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1087429"	214.00314	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"144970"	176.047258	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"584531"	244.589308	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1072325"	107.505208	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1102618"	216.017692	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1337787"	216.105307	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1011550"	220.144476	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1532956"	221.138108	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"995027"	110.575876	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1599023"	222.052728	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1422856"	252.084238	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1159706"	131.089151	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1707069"	269.110785	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1641626"	274.06618	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1579464"	290.04012	"C19216"	"para-Cresidine;p-Cresidine"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"803268"	268.1212	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M"	0
"977895"	249.10281	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-H2O-H"	-19.01839
"68322"	177.740190666667	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M-3H"	-3.021828
"512262"	267.113924	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M-3H"	-3.021828
"891155"	88.3664573333333	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-3H"	-3.021828
"9733"	267.113924	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M-2H"	-2.014552
"451477"	401.174524	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M-2H"	-2.014552
"829279"	133.053324	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-2H"	-2.014552
"88178"	535.235124	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M-H"	-1.007276
"528831"	803.356324	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M-H"	-1.007276
"901169"	267.113924	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-H"	-1.007276
"48614"	552.261671	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M-2H+NH4"	16.019271
"487934"	820.382871	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M-2H+NH4"	16.019271
"871818"	284.140471	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-2H+NH4"	16.019271
"35344"	557.217066	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M-2H+Na"	20.974666
"475998"	825.338266	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M-2H+Na"	20.974666
"849788"	289.095866	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-2H+Na"	20.974666
"1619326"	289.095866	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Na-2H"	20.974666
"95489"	285.102263	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M-H+Cl"	33.962126
"536506"	419.162863	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M-H+Cl"	33.962126
"927954"	151.041663	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-H+Cl"	33.962126
"276606"	571.211802	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+Cl"	34.969402
"673404"	839.333002	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+Cl"	34.969402
"1288374"	303.090602	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Cl"	34.969402
"30559"	573.191006	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M-2H+K"	36.948606
"471061"	841.312206	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M-2H+K"	36.948606
"848289"	305.069806	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-2H+K"	36.948606
"1571109"	305.069806	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+K-2H"	36.948606
"956370"	313.119394	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-H+HCOOH"	44.998194
"374582"	581.240601	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+HCOOH-H"	44.998201
"359564"	595.256251	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+Hac-H"	59.013851
"1502565"	327.135051	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Hac-H"	59.013851
"971201"	335.101351	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-H+NaCOOH"	66.980151
"120107"	303.090602	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+2Cl"	69.938804
"563684"	437.151202	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+2Cl"	69.938804
"1031028"	169.030002	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2Cl"	69.938804
"1251701"	347.040085	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Br"	78.918885
"1315242"	349.096072	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Cl+HCOOH"	80.974872
"1332737"	371.078029	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Cl+NaCOOH"	102.956829
"924890"	381.106786	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M-H+CF3COOH"	112.985586
"1302933"	417.083464	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Cl+CF3COOH"	148.962264
"1382188"	233.108524	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H-2H2O"	-35.012676
"1396766"	251.1185	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H-H2O"	-17.0027
"294385"	537.249676	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+H"	1.007276
"680608"	805.370876	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+H"	1.007276
"1358050"	269.128476	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H"	1.007276
"126562"	269.128476	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+2H"	2.014552
"568675"	403.189076	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+2H"	2.014552
"1042581"	135.067876	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2H"	2.014552
"206834"	179.754742666667	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+3H"	3.021828
"645301"	269.128476	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+3H"	3.021828
"1165980"	90.3810093333333	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+3H"	3.021828
"430354"	554.276223	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+NH4"	18.033823
"785799"	822.397423	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+NH4"	18.033823
"1684400"	286.155023	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+NH4"	18.033823
"337052"	277.6417495	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+H+NH4"	19.041099
"737737"	411.7023495	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+H+NH4"	19.041099
"1488761"	143.5811495	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H+NH4"	19.041099
"401974"	559.231618	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+Na"	22.989218
"769538"	827.352818	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+Na"	22.989218
"1617389"	291.110418	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Na"	22.989218
"328888"	280.119447	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+H+Na"	23.996494
"716812"	414.180047	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+H+Na"	23.996494
"1470633"	146.058847	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H+Na"	23.996494
"1062785"	97.7083233333333	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2H+Na"	25.00377
"1268834"	301.154686	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+CH3OH+H"	33.033486
"385223"	575.205558	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+K"	38.963158
"746219"	843.326758	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+K"	38.963158
"1543898"	307.084358	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+K"	38.963158
"305448"	288.106417	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+H+K"	39.970434
"694586"	422.167017	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+H+K"	39.970434
"1447316"	154.045817	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H+K"	39.970434
"241384"	578.276226	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+ACN+H"	42.033826
"1220655"	310.155026	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+ACN+H"	42.033826
"1205632"	155.581151	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+ACN+2H"	43.041102
"194129"	581.21356	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+2Na-H"	44.97116
"631501"	849.33476	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+2Na-H"	44.97116
"1141576"	313.09236	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2Na-H"	44.97116
"184502"	291.110418	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+2Na"	45.978436
"625522"	425.171018	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+2Na"	45.978436
"1127934"	157.049818	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2Na"	45.978436
"1407083"	105.035637333333	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H+2Na"	46.985712
"1437014"	315.133946	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H+HCOOH"	47.012746
"222698"	296.14344	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+3H2O+2H"	56.04448
"1519147"	329.18599	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+IsoProp+H"	61.06479
"418833"	299.097388	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+Na+K"	61.952376
"780922"	433.157988	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+Na+K"	61.952376
"1677981"	165.036788	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Na+K"	61.952376
"254296"	600.258168	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+ACN+Na"	64.015768
"1232109"	332.136968	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+ACN+Na"	64.015768
"1719903"	332.160493	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+NH4+HCOOH"	64.039293
"1183071"	112.362951333333	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+3Na"	68.967654
"1654782"	337.115888	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Na+HCOOH"	68.994688
"161279"	613.16144	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+2K-H"	76.91904
"600473"	881.28264	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+2K-H"	76.91904
"1086443"	345.04024	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2K-H"	76.91904
"145809"	307.084358	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"2M+2K"	77.926316
"584034"	441.144958	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"3M+2K"	77.926316
"1070612"	173.023758	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2K"	77.926316
"1101632"	347.054792	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2K+H"	78.933592
"1336926"	347.142407	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+DMSO+H"	79.021207
"1010567"	351.181576	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2ACN+H"	83.060376
"1530879"	352.175208	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+IsoProp+Na+H"	84.054008
"995137"	176.094426	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+2ACN+2H"	84.067652
"1600226"	353.089828	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+K+HCOOH"	84.968628
"1422966"	383.121338	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+H+CF3COOH"	115.000138
"1157629"	196.607701	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+3ACN+2H"	125.094202
"1707179"	400.147885	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+NH4+CF3COOH"	132.026685
"1641736"	405.10328	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+Na+CF3COOH"	136.98208
"1582854"	421.07722	"C19217"	"NN-Diacetylbenzidine;44-Diacetylbenzidine"	"C16H16N2O2"	"268.1212"	"M+K+CF3COOH"	152.95602
"803378"	138.0793	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M"	0
"978005"	119.06091	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-H2O-H"	-19.01839
"68432"	91.0455906666667	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M-3H"	-3.021828
"512372"	137.072024	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M-3H"	-3.021828
"892358"	45.0191573333333	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-3H"	-3.021828
"10934"	137.072024	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M-2H"	-2.014552
"451587"	206.111674	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M-2H"	-2.014552
"828296"	68.032374	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-2H"	-2.014552
"90475"	275.151324	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M-H"	-1.007276
"525661"	413.230624	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M-H"	-1.007276
"901279"	137.072024	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-H"	-1.007276
"48243"	292.177871	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M-2H+NH4"	16.019271
"488655"	430.257171	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M-2H+NH4"	16.019271
"871928"	154.098571	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-2H+NH4"	16.019271
"35455"	297.133266	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M-2H+Na"	20.974666
"472099"	435.212566	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M-2H+Na"	20.974666
"848759"	159.053966	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-2H+Na"	20.974666
"1624539"	159.053966	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Na-2H"	20.974666
"95600"	155.060363	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M-H+Cl"	33.962126
"535524"	224.100013	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M-H+Cl"	33.962126
"927413"	86.020713	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-H+Cl"	33.962126
"272701"	311.128002	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+Cl"	34.969402
"671323"	449.207302	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+Cl"	34.969402
"1288117"	173.048702	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Cl"	34.969402
"29698"	313.107206	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M-2H+K"	36.948606
"470227"	451.186506	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M-2H+K"	36.948606
"847306"	175.027906	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-2H+K"	36.948606
"1567502"	175.027906	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+K-2H"	36.948606
"955020"	183.077494	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-H+HCOOH"	44.998194
"373965"	321.156801	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+HCOOH-H"	44.998201
"357851"	335.172451	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+Hac-H"	59.013851
"1505590"	197.093151	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Hac-H"	59.013851
"971311"	205.059451	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-H+NaCOOH"	66.980151
"120947"	173.048702	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+2Cl"	69.938804
"562702"	242.088352	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+2Cl"	69.938804
"1030774"	104.009052	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2Cl"	69.938804
"1249624"	216.998185	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Br"	78.918885
"1314259"	219.054172	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Cl+HCOOH"	80.974872
"1331754"	241.036129	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Cl+NaCOOH"	102.956829
"925728"	251.064886	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M-H+CF3COOH"	112.985586
"1303731"	287.041564	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Cl+CF3COOH"	148.962264
"1382177"	103.066624	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H-2H2O"	-35.012676
"1396997"	121.0766	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H-H2O"	-17.0027
"293402"	277.165876	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+H"	1.007276
"682904"	415.245176	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+H"	1.007276
"1358889"	139.086576	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H"	1.007276
"127035"	139.086576	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+2H"	2.014552
"567327"	208.126226	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+2H"	2.014552
"1044877"	70.046926	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2H"	2.014552
"206944"	93.0601426666667	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+3H"	3.021828
"645411"	139.086576	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+3H"	3.021828
"1166090"	47.0337093333333	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+3H"	3.021828
"433744"	294.192423	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+NH4"	18.033823
"793646"	432.271723	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+NH4"	18.033823
"1684510"	156.113123	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+NH4"	18.033823
"337162"	147.5998495	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+H+NH4"	19.041099
"737120"	216.6394995	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+H+NH4"	19.041099
"1489965"	78.5601995	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H+NH4"	19.041099
"404271"	299.147818	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+Na"	22.989218
"769399"	437.227118	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+Na"	22.989218
"1617746"	161.068518	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Na"	22.989218
"329119"	150.077547	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+H+Na"	23.996494
"721051"	219.117197	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+H+Na"	23.996494
"1476086"	81.037897	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H+Na"	23.996494
"1063988"	54.3610233333333	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2H+Na"	25.00377
"1270038"	171.112786	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+CH3OH+H"	33.033486
"389708"	315.121758	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+K"	38.963158
"745235"	453.201058	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+K"	38.963158
"1545101"	177.042458	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+K"	38.963158
"306651"	158.064517	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+H+K"	39.970434
"694697"	227.104167	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+H+K"	39.970434
"1447426"	89.024867	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H+K"	39.970434
"241494"	318.192426	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+ACN+H"	42.033826
"1218578"	180.113126	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+ACN+H"	42.033826
"1205742"	90.560201	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+ACN+2H"	43.041102
"194239"	321.12976	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+2Na-H"	44.97116
"633070"	459.20906	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+2Na-H"	44.97116
"1140587"	183.05046	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2Na-H"	44.97116
"179506"	161.068518	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+2Na"	45.978436
"624540"	230.108168	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+2Na"	45.978436
"1125858"	92.028868	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2Na"	45.978436
"1410473"	61.6883373333333	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H+2Na"	46.985712
"1440041"	185.092046	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H+HCOOH"	47.012746
"230099"	166.10154	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+3H2O+2H"	56.04448
"1518893"	199.14409	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+IsoProp+H"	61.06479
"416392"	169.055488	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+Na+K"	61.952376
"776294"	238.095138	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+Na+K"	61.952376
"1679550"	100.015838	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Na+K"	61.952376
"258416"	340.174368	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+ACN+Na"	64.015768
"1230032"	202.095068	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+ACN+Na"	64.015768
"1721106"	202.118593	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+NH4+HCOOH"	64.039293
"1184274"	69.0156513333333	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+3Na"	68.967654
"1654528"	207.073988	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Na+HCOOH"	68.994688
"164305"	353.07764	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+2K-H"	76.91904
"601313"	491.15694	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+2K-H"	76.91904
"1086556"	214.99834	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2K-H"	76.91904
"145557"	177.042458	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"2M+2K"	77.926316
"584387"	246.082108	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"3M+2K"	77.926316
"1071451"	108.002808	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2K"	77.926316
"1102474"	217.012892	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2K+H"	78.933592
"1338860"	217.100507	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+DMSO+H"	79.021207
"1008122"	221.139676	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2ACN+H"	83.060376
"1526973"	222.133308	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+IsoProp+Na+H"	84.054008
"991962"	111.073476	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+2ACN+2H"	84.067652
"1600700"	223.047928	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+K+HCOOH"	84.968628
"1423076"	253.079438	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+H+CF3COOH"	115.000138
"1157739"	131.586751	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+3ACN+2H"	125.094202
"1707289"	270.105985	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+NH4+CF3COOH"	132.026685
"1641846"	275.06138	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+Na+CF3COOH"	136.98208
"1582964"	291.03532	"C19218"	"24-Diaminoanisole"	"C7H10N2O"	"138.0793"	"M+K+CF3COOH"	152.95602
"802758"	279.1048	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M"	0
"980301"	260.08641	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-H2O-H"	-19.01839
"68542"	185.062590666667	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M-3H"	-3.021828
"511390"	278.097524	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M-3H"	-3.021828
"892468"	92.0276573333333	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-3H"	-3.021828
"11044"	278.097524	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M-2H"	-2.014552
"451697"	417.649924	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M-2H"	-2.014552
"829499"	138.545124	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-2H"	-2.014552
"91678"	557.202324	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M-H"	-1.007276
"531238"	836.307124	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M-H"	-1.007276
"899566"	278.097524	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-H"	-1.007276
"49929"	574.228871	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M-2H+NH4"	16.019271
"488886"	853.333671	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M-2H+NH4"	16.019271
"872038"	295.124071	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-2H+NH4"	16.019271
"35565"	579.184266	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M-2H+Na"	20.974666
"472087"	858.289066	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M-2H+Na"	20.974666
"849645"	300.079466	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-2H+Na"	20.974666
"1619424"	300.079466	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Na-2H"	20.974666
"94857"	296.085863	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M-H+Cl"	33.962126
"535631"	435.638263	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M-H+Cl"	33.962126
"928781"	156.533463	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-H+Cl"	33.962126
"272811"	593.179002	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+Cl"	34.969402
"671798"	872.283802	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+Cl"	34.969402
"1287868"	314.074202	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Cl"	34.969402
"30784"	595.158206	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M-2H+K"	36.948606
"470099"	874.263006	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M-2H+K"	36.948606
"847051"	316.053406	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-2H+K"	36.948606
"1567611"	316.053406	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+K-2H"	36.948606
"955493"	324.102994	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-H+HCOOH"	44.998194
"374436"	603.207801	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+HCOOH-H"	44.998201
"357956"	617.223451	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+Hac-H"	59.013851
"1505700"	338.118651	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Hac-H"	59.013851
"971787"	346.084951	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-H+NaCOOH"	66.980151
"121057"	314.074202	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+2Cl"	69.938804
"565119"	453.626602	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+2Cl"	69.938804
"1036676"	174.521802	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2Cl"	69.938804
"1255930"	358.023685	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Br"	78.918885
"1319840"	360.079672	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Cl+HCOOH"	80.974872
"1335269"	382.061629	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Cl+NaCOOH"	102.956829
"927051"	392.090386	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M-H+CF3COOH"	112.985586
"1302789"	428.067064	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Cl+CF3COOH"	148.962264
"1381923"	244.092124	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H-2H2O"	-35.012676
"1396986"	262.1021	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H-H2O"	-17.0027
"291689"	559.216876	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+H"	1.007276
"679734"	838.321676	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+H"	1.007276
"1358999"	280.112076	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H"	1.007276
"127876"	280.112076	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+2H"	2.014552
"566829"	419.664476	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+2H"	2.014552
"1038057"	140.559676	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2H"	2.014552
"207419"	187.077142666667	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+3H"	3.021828
"645035"	280.112076	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+3H"	3.021828
"1166200"	94.0422093333333	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+3H"	3.021828
"437135"	576.243423	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+NH4"	18.033823
"798129"	855.348223	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+NH4"	18.033823
"1684984"	297.138623	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+NH4"	18.033823
"337272"	288.6253495	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+H+NH4"	19.041099
"736984"	428.1777495	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+H+NH4"	19.041099
"1488981"	149.0729495	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H+NH4"	19.041099
"402194"	581.198818	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+Na"	22.989218
"766471"	860.303618	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+Na"	22.989218
"1617693"	302.094018	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Na"	22.989218
"328861"	291.103047	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+H+Na"	23.996494
"721403"	430.655447	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+H+Na"	23.996494
"1476922"	151.550647	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H+Na"	23.996494
"1067258"	101.369523333333	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2H+Na"	25.00377
"1270148"	312.138286	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+CH3OH+H"	33.033486
"389818"	597.172758	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+K"	38.963158
"753000"	876.277558	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+K"	38.963158
"1549584"	318.067958	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+K"	38.963158
"304573"	299.090017	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+H+K"	39.970434
"694077"	438.642417	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+H+K"	39.970434
"1450816"	159.537617	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H+K"	39.970434
"241604"	600.243426	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+ACN+H"	42.033826
"1218688"	321.138626	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+ACN+H"	42.033826
"1200384"	161.072951	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+ACN+2H"	43.041102
"194349"	603.18076	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+2Na-H"	44.97116
"631721"	882.28556	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+2Na-H"	44.97116
"1143977"	324.07596	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2Na-H"	44.97116
"181802"	302.094018	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+2Na"	45.978436
"626109"	441.646418	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+2Na"	45.978436
"1124873"	162.541618	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2Na"	45.978436
"1405480"	108.696837333333	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H+2Na"	46.985712
"1440516"	326.117546	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H+HCOOH"	47.012746
"229845"	307.12704	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+3H2O+2H"	56.04448
"1520826"	340.16959	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+IsoProp+H"	61.06479
"416502"	310.080988	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+Na+K"	61.952376
"778591"	449.633388	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+Na+K"	61.952376
"1680024"	170.528588	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Na+K"	61.952376
"261078"	622.225368	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+ACN+Na"	64.015768
"1230871"	343.120568	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+ACN+Na"	64.015768
"1721216"	343.144093	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+NH4+HCOOH"	64.039293
"1183290"	116.024151333333	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+3Na"	68.967654
"1656459"	348.099488	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Na+HCOOH"	68.994688
"164415"	635.12864	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+2K-H"	76.91904
"601059"	914.23344	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+2K-H"	76.91904
"1087030"	356.02384	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2K-H"	76.91904
"144574"	318.067958	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"2M+2K"	77.926316
"585957"	457.620358	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"3M+2K"	77.926316
"1071197"	178.515558	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2K"	77.926316
"1103312"	358.038392	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2K+H"	78.933592
"1338970"	358.126007	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+DMSO+H"	79.021207
"1009690"	362.165176	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2ACN+H"	83.060376
"1527812"	363.158808	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+IsoProp+Na+H"	84.054008
"992436"	181.586226	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+2ACN+2H"	84.067652
"1600082"	364.073428	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+K+HCOOH"	84.968628
"1423186"	394.104938	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+H+CF3COOH"	115.000138
"1158942"	202.099501	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+3ACN+2H"	125.094202
"1707399"	411.131485	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+NH4+CF3COOH"	132.026685
"1641956"	416.08688	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+Na+CF3COOH"	136.98208
"1583074"	432.06082	"C19219"	"Dibenzahacridine"	"C21H13N"	"279.1048"	"M+K+CF3COOH"	152.95602
"810159"	279.1048	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M"	0
"978225"	260.08641	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-H2O-H"	-19.01839
"69745"	185.062590666667	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M-3H"	-3.021828
"512592"	278.097524	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M-3H"	-3.021828
"891486"	92.0276573333333	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-3H"	-3.021828
"12248"	278.097524	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M-2H"	-2.014552
"450714"	417.649924	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M-2H"	-2.014552
"826329"	138.545124	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-2H"	-2.014552
"91788"	557.202324	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M-H"	-1.007276
"531348"	836.307124	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M-H"	-1.007276
"903682"	278.097524	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-H"	-1.007276
"55870"	574.228871	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M-2H+NH4"	16.019271
"488146"	853.333671	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M-2H+NH4"	16.019271
"868866"	295.124071	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-2H+NH4"	16.019271
"36766"	579.184266	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M-2H+Na"	20.974666
"472231"	858.289066	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M-2H+Na"	20.974666
"849873"	300.079466	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-2H+Na"	20.974666
"1620506"	300.079466	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Na-2H"	20.974666
"95202"	296.085863	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M-H+Cl"	33.962126
"535739"	435.638263	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M-H+Cl"	33.962126
"928035"	156.533463	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-H+Cl"	33.962126
"272921"	593.179002	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+Cl"	34.969402
"672636"	872.283802	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+Cl"	34.969402
"1287124"	314.074202	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Cl"	34.969402
"29314"	595.158206	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M-2H+K"	36.948606
"470692"	874.263006	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M-2H+K"	36.948606
"848211"	316.053406	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-2H+K"	36.948606
"1568086"	316.053406	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+K-2H"	36.948606
"955239"	324.102994	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-H+HCOOH"	44.998194
"374910"	603.207801	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+HCOOH-H"	44.998201
"357701"	617.223451	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+Hac-H"	59.013851
"1506174"	338.118651	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Hac-H"	59.013851
"971897"	346.084951	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-H+NaCOOH"	66.980151
"121167"	314.074202	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+2Cl"	69.938804
"564985"	453.626602	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+2Cl"	69.938804
"1036461"	174.521802	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2Cl"	69.938804
"1256165"	358.023685	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Br"	78.918885
"1318857"	360.079672	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Cl+HCOOH"	80.974872
"1335501"	382.061629	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Cl+NaCOOH"	102.956829
"926566"	392.090386	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M-H+CF3COOH"	112.985586
"1303383"	428.067064	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Cl+CF3COOH"	148.962264
"1381424"	244.092124	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H-2H2O"	-35.012676
"1394301"	262.1021	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H-H2O"	-17.0027
"291799"	559.216876	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+H"	1.007276
"679844"	838.321676	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+H"	1.007276
"1356194"	280.112076	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H"	1.007276
"129082"	280.112076	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+2H"	2.014552
"573016"	419.664476	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+2H"	2.014552
"1042909"	140.559676	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2H"	2.014552
"204731"	187.077142666667	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+3H"	3.021828
"649278"	280.112076	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+3H"	3.021828
"1173601"	94.0422093333333	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+3H"	3.021828
"437245"	576.243423	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+NH4"	18.033823
"799333"	855.348223	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+NH4"	18.033823
"1684730"	297.138623	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+NH4"	18.033823
"337382"	288.6253495	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+H+NH4"	19.041099
"736001"	428.1777495	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+H+NH4"	19.041099
"1488728"	149.0729495	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H+NH4"	19.041099
"408530"	581.198818	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+Na"	22.989218
"769497"	860.303618	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+Na"	22.989218
"1618209"	302.094018	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Na"	22.989218
"327999"	291.103047	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+H+Na"	23.996494
"721514"	430.655447	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+H+Na"	23.996494
"1476065"	151.550647	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H+Na"	23.996494
"1064208"	101.369523333333	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2H+Na"	25.00377
"1270257"	312.138286	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+CH3OH+H"	33.033486
"386645"	597.172758	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+K"	38.963158
"746549"	876.277558	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+K"	38.963158
"1546414"	318.067958	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+K"	38.963158
"310151"	299.090017	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+H+K"	39.970434
"696010"	438.642417	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+H+K"	39.970434
"1450926"	159.537617	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H+K"	39.970434
"236246"	600.243426	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+ACN+H"	42.033826
"1213330"	321.138626	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+ACN+H"	42.033826
"1197578"	161.072951	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+ACN+2H"	43.041102
"189354"	603.18076	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+2Na-H"	44.97116
"630009"	882.28556	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+2Na-H"	44.97116
"1140807"	324.07596	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2Na-H"	44.97116
"181911"	302.094018	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+2Na"	45.978436
"625488"	441.646418	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+2Na"	45.978436
"1127898"	162.541618	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2Na"	45.978436
"1404496"	108.696837333333	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H+2Na"	46.985712
"1439531"	326.117546	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H+HCOOH"	47.012746
"227039"	307.12704	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+3H2O+2H"	56.04448
"1519478"	340.16959	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+IsoProp+H"	61.06479
"413696"	310.080988	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+Na+K"	61.952376
"779065"	449.633388	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+Na+K"	61.952376
"1677947"	170.528588	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Na+K"	61.952376
"261553"	622.225368	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+ACN+Na"	64.015768
"1231345"	343.120568	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+ACN+Na"	64.015768
"1716221"	343.144093	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+NH4+HCOOH"	64.039293
"1183398"	116.024151333333	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+3Na"	68.967654
"1655110"	348.099488	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Na+HCOOH"	68.994688
"164525"	635.12864	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+2K-H"	76.91904
"602991"	914.23344	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+2K-H"	76.91904
"1087504"	356.02384	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2K-H"	76.91904
"145048"	318.067958	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"2M+2K"	77.926316
"585338"	457.620358	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"3M+2K"	77.926316
"1070942"	178.515558	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2K"	77.926316
"1102693"	358.038392	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2K+H"	78.933592
"1337985"	358.126007	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+DMSO+H"	79.021207
"1010893"	362.165176	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2ACN+H"	83.060376
"1526464"	363.158808	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+IsoProp+Na+H"	84.054008
"992182"	181.586226	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+2ACN+2H"	84.067652
"1597639"	364.073428	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+K+HCOOH"	84.968628
"1423296"	394.104938	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+H+CF3COOH"	115.000138
"1160145"	202.099501	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+3ACN+2H"	125.094202
"1707508"	411.131485	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+NH4+CF3COOH"	132.026685
"1647534"	416.08688	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+Na+CF3COOH"	136.98208
"1583184"	432.06082	"C19220"	"Dibenzajacridine"	"C21H13N"	"279.1048"	"M+K+CF3COOH"	152.95602
"801655"	267.1048	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M"	0
"978335"	248.08641	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-H2O-H"	-19.01839
"68762"	177.062590666667	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M-3H"	-3.021828
"513795"	266.097524	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M-3H"	-3.021828
"892689"	88.0276573333333	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-3H"	-3.021828
"11265"	266.097524	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M-2H"	-2.014552
"450460"	399.649924	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M-2H"	-2.014552
"826439"	132.545124	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-2H"	-2.014552
"88618"	533.202324	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M-H"	-1.007276
"531458"	800.307124	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M-H"	-1.007276
"902699"	266.097524	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-H"	-1.007276
"57073"	550.228871	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M-2H+NH4"	16.019271
"487892"	817.333671	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M-2H+NH4"	16.019271
"868976"	283.124071	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-2H+NH4"	16.019271
"36876"	555.184266	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M-2H+Na"	20.974666
"472057"	822.289066	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M-2H+Na"	20.974666
"849863"	288.079466	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-2H+Na"	20.974666
"1620495"	288.079466	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Na-2H"	20.974666
"94310"	284.085863	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M-H+Cl"	33.962126
"534552"	417.638263	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M-H+Cl"	33.962126
"927902"	150.533463	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-H+Cl"	33.962126
"273031"	569.179002	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+Cl"	34.969402
"670923"	836.283802	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+Cl"	34.969402
"1287828"	302.074202	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Cl"	34.969402
"30762"	571.158206	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M-2H+K"	36.948606
"470071"	838.263006	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M-2H+K"	36.948606
"846170"	304.053406	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-2H+K"	36.948606
"1567831"	304.053406	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+K-2H"	36.948606
"954620"	312.102994	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-H+HCOOH"	44.998194
"369553"	579.207801	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+HCOOH-H"	44.998201
"355625"	593.223451	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+Hac-H"	59.013851
"1505916"	326.118651	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Hac-H"	59.013851
"973101"	334.084951	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-H+NaCOOH"	66.980151
"120549"	302.074202	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+2Cl"	69.938804
"564121"	435.626602	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+2Cl"	69.938804
"1035479"	168.521802	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2Cl"	69.938804
"1255423"	346.023685	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Br"	78.918885
"1317144"	348.079672	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Cl+HCOOH"	80.974872
"1335368"	370.061629	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Cl+NaCOOH"	102.956829
"926551"	380.090386	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M-H+CF3COOH"	112.985586
"1303863"	416.067064	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Cl+CF3COOH"	148.962264
"1380926"	232.092124	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H-2H2O"	-35.012676
"1394411"	250.1021	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H-H2O"	-17.0027
"291545"	535.216876	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+H"	1.007276
"681777"	802.321676	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+H"	1.007276
"1356304"	268.112076	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H"	1.007276
"131015"	268.112076	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+2H"	2.014552
"572762"	401.664476	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+2H"	2.014552
"1043019"	134.559676	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2H"	2.014552
"205694"	179.077142666667	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+3H"	3.021828
"649388"	268.112076	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+3H"	3.021828
"1170795"	90.0422093333333	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+3H"	3.021828
"437356"	552.243423	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+NH4"	18.033823
"793975"	819.348223	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+NH4"	18.033823
"1690307"	285.138623	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+NH4"	18.033823
"336399"	276.6253495	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+H+NH4"	19.041099
"731006"	410.1777495	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+H+NH4"	19.041099
"1487015"	143.0729495	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H+NH4"	19.041099
"399133"	557.198818	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+Na"	22.989218
"766692"	824.303618	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+Na"	22.989218
"1615884"	290.094018	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Na"	22.989218
"327988"	279.103047	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+H+Na"	23.996494
"722643"	412.655447	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+H+Na"	23.996494
"1476297"	145.550647	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H+Na"	23.996494
"1067476"	97.3695233333333	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2H+Na"	25.00377
"1268181"	300.138286	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+CH3OH+H"	33.033486
"384569"	573.172758	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+K"	38.963158
"749940"	840.277558	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+K"	38.963158
"1549804"	306.067958	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+K"	38.963158
"311355"	287.090017	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+H+K"	39.970434
"696121"	420.642417	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+H+K"	39.970434
"1454316"	153.537617	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H+K"	39.970434
"238544"	576.243426	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+ACN+H"	42.033826
"1213440"	309.138626	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+ACN+H"	42.033826
"1197688"	155.072951	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+ACN+2H"	43.041102
"190192"	579.18076	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+2Na-H"	44.97116
"630483"	846.28556	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+2Na-H"	44.97116
"1137636"	312.07596	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2Na-H"	44.97116
"182021"	290.094018	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+2Na"	45.978436
"617208"	423.646418	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+2Na"	45.978436
"1126183"	156.541618	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2Na"	45.978436
"1410076"	104.696837333333	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H+2Na"	46.985712
"1442555"	314.117546	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H+HCOOH"	47.012746
"229332"	295.12704	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+3H2O+2H"	56.04448
"1514113"	328.16959	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+IsoProp+H"	61.06479
"417082"	298.080988	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+Na+K"	61.952376
"780263"	431.633388	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+Na+K"	61.952376
"1671128"	164.528588	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Na+K"	61.952376
"259836"	598.225368	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+ACN+Na"	64.015768
"1232548"	331.120568	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+ACN+Na"	64.015768
"1719246"	331.144093	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+NH4+HCOOH"	64.039293
"1181321"	112.024151333333	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+3Na"	68.967654
"1652668"	336.099488	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Na+HCOOH"	68.994688
"159167"	611.12864	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+2K-H"	76.91904
"599088"	878.23344	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+2K-H"	76.91904
"1087974"	344.02384	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2K-H"	76.91904
"144425"	306.067958	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"2M+2K"	77.926316
"589454"	439.620358	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"3M+2K"	77.926316
"1070686"	172.515558	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2K"	77.926316
"1100492"	346.038392	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2K+H"	78.933592
"1336635"	346.126007	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+DMSO+H"	79.021207
"1009545"	350.165176	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2ACN+H"	83.060376
"1526574"	351.158808	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+IsoProp+Na+H"	84.054008
"990183"	175.586226	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+2ACN+2H"	84.067652
"1598843"	352.073428	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+K+HCOOH"	84.968628
"1424500"	382.104938	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+H+CF3COOH"	115.000138
"1159164"	196.099501	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+3ACN+2H"	125.094202
"1711630"	399.131485	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+NH4+CF3COOH"	132.026685
"1647644"	404.08688	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+Na+CF3COOH"	136.98208
"1583294"	420.06082	"C19221"	"7H-Dibenzocgcarbazole"	"C20H13N"	"267.1048"	"M+K+CF3COOH"	152.95602
"812566"	302.1096	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M"	0
"985735"	283.09121	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"68872"	200.399124	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"515002"	301.102324	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"890617"	99.695924	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"10282"	301.102324	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"449841"	452.157124	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"827645"	150.047524	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"90915"	603.211924	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"531568"	905.321524	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"906090"	301.102324	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"54998"	620.238471	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"488245"	922.348071	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"869086"	318.128871	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"36988"	625.193866	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"471459"	927.303466	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"848838"	323.084266	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1619633"	323.084266	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"94410"	319.090663	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"534500"	470.145463	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"927204"	168.035863	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"274235"	639.188602	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"667752"	941.298202	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1287450"	337.079002	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"30951"	641.167806	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"471281"	943.277406	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"846645"	339.058206	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1569766"	339.058206	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"954730"	347.107794	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"367477"	649.217401	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"355735"	663.233051	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1505298"	361.123451	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"971389"	369.089751	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"120294"	337.079002	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"560584"	488.133802	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1036197"	186.024202	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1256021"	381.028485	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1319686"	383.084472	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1335354"	405.066429	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"926171"	415.095186	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1302510"	451.071864	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1378118"	267.096924	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1395979"	285.1069	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"291655"	605.226476	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"684805"	907.336076	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1355320"	303.116876	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H"	1.007276
"131489"	303.116876	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"569956"	454.171676	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1042036"	152.062076	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"208842"	202.413676	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"649498"	303.116876	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1170905"	101.710476	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"437466"	622.253023	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"795182"	924.362623	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1691514"	320.143423	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"337603"	311.6301495	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"731116"	462.6849495	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1487125"	160.5753495	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"397056"	627.208418	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"768627"	929.318018	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1615994"	325.098818	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"328098"	314.107847	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"722346"	465.162647	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1476044"	163.053047	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1066372"	109.03779	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1266105"	335.143086	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"384679"	643.182358	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"753333"	945.291958	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1547728"	341.072758	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K"	38.963158
"309278"	322.094817	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"696231"	473.149617	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1454426"	171.040017	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"238654"	646.253026	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1217925"	344.143426	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1195611"	172.575351	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"189694"	649.19036	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"629251"	951.29996	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1134466"	347.08076	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"178851"	325.098818	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"617318"	476.153618	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1125200"	174.044018	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1411644"	116.365104	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1441572"	349.122346	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"227256"	330.13184	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1509850"	363.17439	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"414276"	333.085788	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"777093"	484.140588	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1671238"	182.030988	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"255206"	668.234968	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1233751"	366.125368	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1717169"	366.148893	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1182524"	123.692418	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1654602"	371.104288	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"162557"	681.13824	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"601024"	983.24784	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1088085"	379.02864	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"145632"	341.072758	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"586285"	492.127558	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1075171"	190.017958	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1106194"	381.043192	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1337840"	381.130807	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1009291"	385.169976	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1525591"	386.163608	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"990944"	193.088626	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1602402"	387.078228	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1429679"	417.109738	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1161462"	213.601901	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1711984"	434.136285	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1648849"	439.09168	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1583404"	455.06562	"C19222"	"Dibenzoahpyrene;34:89-Dibenzopyrene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"802834"	302.1096	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M"	0
"980741"	283.09121	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"70074"	200.399124	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"512923"	301.102324	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"889629"	99.695924	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"11484"	301.102324	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"451044"	452.157124	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"826662"	150.047524	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"89931"	603.211924	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"524023"	905.321524	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"904013"	301.102324	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"55108"	620.238471	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"488476"	922.348071	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"869196"	318.128871	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"37098"	625.193866	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"471917"	927.303466	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"849229"	323.084266	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1619986"	323.084266	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"94299"	319.090663	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"534852"	470.145463	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"927635"	168.035863	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"275438"	639.188602	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"668955"	941.298202	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1287076"	337.079002	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"30900"	641.167806	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"469687"	943.277406	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"845298"	339.058206	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1569877"	339.058206	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"952653"	347.107794	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"373783"	649.217401	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"358397"	663.233051	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1505408"	361.123451	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"970771"	369.089751	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"121133"	337.079002	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"559602"	488.133802	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1036957"	186.024202	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1256659"	381.028485	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1319755"	383.084472	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1335103"	405.066429	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"926971"	415.095186	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1302620"	451.071864	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1377134"	267.096924	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1388069"	285.1069	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"294316"	605.226476	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"680176"	907.336076	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1354337"	303.116876	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H"	1.007276
"129411"	303.116876	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"570066"	454.171676	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1042146"	152.062076	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"206886"	202.413676	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"647421"	303.116876	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1171015"	101.710476	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"435389"	622.253023	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"795292"	924.362623	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1689436"	320.143423	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"337711"	311.6301495	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"727946"	462.6849495	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1482860"	160.5753495	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"394250"	627.208418	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"768249"	929.318018	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1616104"	325.098818	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"329305"	314.107847	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"721722"	465.162647	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1472383"	163.053047	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1066724"	109.03779	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1266215"	335.143086	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"383696"	643.182358	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"747974"	945.291958	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1547838"	341.072758	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+K"	38.963158
"307202"	322.094817	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"696341"	473.149617	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1452349"	171.040017	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"239492"	646.253026	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1214024"	344.143426	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1195720"	172.575351	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"189558"	649.19036	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"629359"	951.29996	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1134576"	347.08076	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"180054"	325.098818	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"617427"	476.153618	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1127133"	174.044018	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1407743"	116.365104	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1442046"	349.122346	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"228459"	330.13184	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1515428"	363.17439	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"409201"	333.085788	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"771737"	484.140588	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1673535"	182.030988	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"255681"	668.234968	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1232769"	366.125368	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1716186"	366.148893	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1180811"	123.692418	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1654712"	371.104288	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"161574"	681.13824	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"600040"	983.24784	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1086375"	379.02864	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"143918"	341.072758	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"582384"	492.127558	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1072366"	190.017958	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1106304"	381.043192	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1338316"	381.130807	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1009028"	385.169976	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1525701"	386.163608	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"991782"	193.088626	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1602710"	387.078228	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1429222"	417.109738	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1161208"	213.601901	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1710029"	434.136285	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1648595"	439.09168	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1583514"	455.06562	"C19223"	"Dibenzoaipyrene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"810599"	215.8785	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M"	0
"978665"	196.86011	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-H2O-H"	-19.01839
"67999"	142.911724	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M-3H"	-3.021828
"516312"	214.871224	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M-3H"	-3.021828
"894112"	70.952224	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-3H"	-3.021828
"13659"	214.871224	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M-2H"	-2.014552
"451154"	322.810474	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M-2H"	-2.014552
"830051"	106.931974	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-2H"	-2.014552
"90041"	430.749724	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M-H"	-1.007276
"525226"	646.628224	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M-H"	-1.007276
"904123"	214.871224	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-H"	-1.007276
"57405"	447.776271	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M-2H+NH4"	16.019271
"498064"	663.654771	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M-2H+NH4"	16.019271
"874777"	231.897771	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-2H+NH4"	16.019271
"39395"	452.731666	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M-2H+Na"	20.974666
"478957"	668.610166	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M-2H+Na"	20.974666
"854572"	236.853166	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-2H+Na"	20.974666
"1624104"	236.853166	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Na-2H"	20.974666
"95039"	232.859563	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M-H+Cl"	33.962126
"535570"	340.798813	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M-H+Cl"	33.962126
"929331"	124.920313	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-H+Cl"	33.962126
"275548"	466.726402	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+Cl"	34.969402
"665782"	682.604902	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+Cl"	34.969402
"1282199"	250.847902	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Cl"	34.969402
"30484"	468.705606	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M-2H+K"	36.948606
"470650"	684.584106	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M-2H+K"	36.948606
"845770"	252.827106	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-2H+K"	36.948606
"1568529"	252.827106	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+K-2H"	36.948606
"956046"	260.876694	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-H+HCOOH"	44.998194
"374629"	476.755201	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+HCOOH-H"	44.998201
"359602"	490.770851	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+Hac-H"	59.013851
"1506252"	274.892351	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Hac-H"	59.013851
"970517"	282.858651	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-H+NaCOOH"	66.980151
"122703"	250.847902	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+2Cl"	69.938804
"559711"	358.787152	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+2Cl"	69.938804
"1036181"	142.908652	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2Cl"	69.938804
"1256688"	294.797385	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Br"	78.918885
"1319056"	296.853372	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Cl+HCOOH"	80.974872
"1334487"	318.835329	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Cl+NaCOOH"	102.956829
"925294"	328.864086	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M-H+CF3COOH"	112.985586
"1303461"	364.840764	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Cl+CF3COOH"	148.962264
"1379432"	180.865824	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H-2H2O"	-35.012676
"1388179"	198.8758	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H-H2O"	-17.0027
"292239"	432.764276	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+H"	1.007276
"682474"	648.642776	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+H"	1.007276
"1356634"	216.885776	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H"	1.007276
"131708"	216.885776	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+2H"	2.014552
"571270"	324.825026	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+2H"	2.014552
"1042256"	108.946526	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2H"	2.014552
"213437"	144.926276	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+3H"	3.021828
"652998"	216.885776	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+3H"	3.021828
"1166749"	72.966776	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+3H"	3.021828
"439027"	449.790823	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+NH4"	18.033823
"799776"	665.669323	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+NH4"	18.033823
"1691734"	233.912323	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+NH4"	18.033823
"341102"	225.3990495	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+H+NH4"	19.041099
"734617"	333.3382995	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+H+NH4"	19.041099
"1484063"	117.4597995	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H+NH4"	19.041099
"396546"	454.746218	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+Na"	22.989218
"769208"	670.624718	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+Na"	22.989218
"1616214"	238.867718	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Na"	22.989218
"329786"	227.876747	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+H+Na"	23.996494
"721711"	335.815997	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+H+Na"	23.996494
"1470306"	119.937497	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H+Na"	23.996494
"1059178"	80.29409	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2H+Na"	25.00377
"1264136"	248.911986	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+CH3OH+H"	33.033486
"384899"	470.720158	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+K"	38.963158
"740427"	686.598658	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+K"	38.963158
"1547948"	254.841658	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+K"	38.963158
"308405"	235.863717	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+H+K"	39.970434
"696451"	343.802967	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+H+K"	39.970434
"1453553"	127.924467	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H+K"	39.970434
"243248"	473.790826	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+ACN+H"	42.033826
"1219238"	257.912326	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+ACN+H"	42.033826
"1195101"	129.459801	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+ACN+2H"	43.041102
"190520"	476.72816	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+2Na-H"	44.97116
"629833"	692.60666	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+2Na-H"	44.97116
"1134686"	260.84966	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2Na-H"	44.97116
"182352"	238.867718	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+2Na"	45.978436
"617537"	346.806968	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+2Na"	45.978436
"1128947"	130.928468	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2Na"	45.978436
"1411501"	87.621404	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H+2Na"	46.985712
"1442885"	262.891246	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H+HCOOH"	47.012746
"227477"	243.90074	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+3H2O+2H"	56.04448
"1521735"	276.94329	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+IsoProp+H"	61.06479
"415227"	246.854688	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+Na+K"	61.952376
"776221"	354.793938	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+Na+K"	61.952376
"1674738"	138.915438	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Na+K"	61.952376
"255791"	495.772768	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+ACN+Na"	64.015768
"1237254"	279.894268	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+ACN+Na"	64.015768
"1715203"	279.917793	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+NH4+HCOOH"	64.039293
"1182744"	94.948718	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+3Na"	68.967654
"1654823"	284.873188	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Na+HCOOH"	68.994688
"158402"	508.67604	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+2K-H"	76.91904
"597964"	724.55454	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+2K-H"	76.91904
"1087948"	292.79754	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2K-H"	76.91904
"144032"	254.841658	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"2M+2K"	77.926316
"583591"	362.780908	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"3M+2K"	77.926316
"1071747"	146.902408	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2K"	77.926316
"1104228"	294.812092	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2K+H"	78.933592
"1340616"	294.899707	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+DMSO+H"	79.021207
"1009146"	298.938876	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2ACN+H"	83.060376
"1530552"	299.932508	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+IsoProp+Na+H"	84.054008
"992625"	149.973076	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+2ACN+2H"	84.067652
"1602581"	300.847128	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+K+HCOOH"	84.968628
"1429684"	330.878638	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+H+CF3COOH"	115.000138
"1162415"	170.486351	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+3ACN+2H"	125.094202
"1711231"	347.905185	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+NH4+CF3COOH"	132.026685
"1642506"	352.86058	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+Na+CF3COOH"	136.98208
"1580344"	368.83452	"C19224"	"23-Dibromo-1-propanol;23-Dibromopropanol"	"C3H6Br2O"	"215.8785"	"M+K+CF3COOH"	152.95602
"804148"	252.0221	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M"	0
"983148"	233.00371	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-H2O-H"	-19.01839
"70294"	167.007457333333	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M-3H"	-3.021828
"517516"	251.014824	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M-3H"	-3.021828
"894101"	83.0000906666667	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-3H"	-3.021828
"10608"	251.014824	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M-2H"	-2.014552
"445795"	377.025874	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M-2H"	-2.014552
"831985"	125.003774	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-2H"	-2.014552
"90151"	503.036924	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M-H"	-1.007276
"523148"	755.059024	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M-H"	-1.007276
"904233"	251.014824	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-H"	-1.007276
"57515"	520.063471	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M-2H+NH4"	16.019271
"498176"	772.085571	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M-2H+NH4"	16.019271
"875982"	268.041371	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-2H+NH4"	16.019271
"43880"	525.018866	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M-2H+Na"	20.974666
"483440"	777.040966	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M-2H+Na"	20.974666
"852495"	272.996766	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-2H+Na"	20.974666
"1626400"	272.996766	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Na-2H"	20.974666
"97463"	269.003163	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M-H+Cl"	33.962126
"537020"	395.014213	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M-H+Cl"	33.962126
"929441"	142.992113	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-H+Cl"	33.962126
"271279"	539.013602	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+Cl"	34.969402
"663705"	791.035702	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+Cl"	34.969402
"1282673"	286.991502	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Cl"	34.969402
"30709"	540.992806	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M-2H+K"	36.948606
"470515"	793.014906	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M-2H+K"	36.948606
"846612"	288.970706	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-2H+K"	36.948606
"1564995"	288.970706	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+K-2H"	36.948606
"956156"	297.020294	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-H+HCOOH"	44.998194
"375714"	549.042401	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+HCOOH-H"	44.998201
"360078"	563.058051	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+Hac-H"	59.013851
"1506362"	311.035951	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Hac-H"	59.013851
"969168"	319.002251	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-H+NaCOOH"	66.980151
"121716"	286.991502	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+2Cl"	69.938804
"556539"	413.002552	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+2Cl"	69.938804
"1036282"	160.980452	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2Cl"	69.938804
"1255859"	330.940985	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Br"	78.918885
"1319400"	332.996972	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Cl+HCOOH"	80.974872
"1334347"	354.978929	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Cl+NaCOOH"	102.956829
"925404"	365.007686	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M-H+CF3COOH"	112.985586
"1302111"	400.984364	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Cl+CF3COOH"	148.962264
"1378449"	217.009424	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H-2H2O"	-35.012676
"1391569"	235.0194	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H-H2O"	-17.0027
"292349"	505.051476	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+H"	1.007276
"688780"	757.073576	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+H"	1.007276
"1355651"	253.029376	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H"	1.007276
"135098"	253.029376	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+2H"	2.014552
"572471"	379.040426	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+2H"	2.014552
"1046738"	127.018326	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2H"	2.014552
"215369"	169.022009333333	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+3H"	3.021828
"650919"	253.029376	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+3H"	3.021828
"1172324"	85.0146426666667	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+3H"	3.021828
"431234"	522.078023	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+NH4"	18.033823
"794416"	774.100123	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+NH4"	18.033823
"1688561"	270.055923	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+NH4"	18.033823
"331733"	261.5426495	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+H+NH4"	19.041099
"726342"	387.5536995	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+H+NH4"	19.041099
"1483080"	135.5315995	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H+NH4"	19.041099
"394470"	527.033418	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+Na"	22.989218
"768833"	779.055518	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+Na"	22.989218
"1610855"	275.011318	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Na"	22.989218
"325268"	264.020347	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+H+Na"	23.996494
"716595"	390.031397	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+H+Na"	23.996494
"1468228"	138.009297	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H+Na"	23.996494
"1059286"	92.3419566666667	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2H+Na"	25.00377
"1265339"	285.055586	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+CH3OH+H"	33.033486
"379540"	543.007358	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+K"	38.963158
"747094"	795.029458	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+K"	38.963158
"1548058"	290.985258	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+K"	38.963158
"307421"	272.007317	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+H+K"	39.970434
"697653"	398.018367	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+H+K"	39.970434
"1455849"	145.996267	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H+K"	39.970434
"244451"	546.078026	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+ACN+H"	42.033826
"1220442"	294.055926	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+ACN+H"	42.033826
"1197763"	147.531601	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+ACN+2H"	43.041102
"189905"	549.01536	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+2Na-H"	44.97116
"629826"	801.03746	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+2Na-H"	44.97116
"1138077"	296.99326	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2Na-H"	44.97116
"182462"	275.011318	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+2Na"	45.978436
"617647"	401.022368	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+2Na"	45.978436
"1129177"	149.000268	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2Na"	45.978436
"1411976"	99.6692706666667	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H+2Na"	46.985712
"1445392"	299.034846	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H+HCOOH"	47.012746
"227587"	280.04434	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+3H2O+2H"	56.04448
"1522939"	313.08689	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+IsoProp+H"	61.06479
"414244"	282.998288	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+Na+K"	61.952376
"779612"	409.009338	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+Na+K"	61.952376
"1674849"	156.987238	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Na+K"	61.952376
"263556"	568.059968	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+ACN+Na"	64.015768
"1238093"	316.037868	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+ACN+Na"	64.015768
"1718593"	316.061393	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+NH4+HCOOH"	64.039293
"1181761"	106.996584666667	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+3Na"	68.967654
"1654933"	321.016788	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Na+HCOOH"	68.994688
"163981"	580.96324	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+2K-H"	76.91904
"602448"	832.98534	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+2K-H"	76.91904
"1088058"	328.94114	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2K-H"	76.91904
"144141"	290.985258	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"2M+2K"	77.926316
"588805"	416.996308	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"3M+2K"	77.926316
"1077691"	164.974208	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2K"	77.926316
"1106525"	330.955692	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2K+H"	78.933592
"1341817"	331.043307	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+DMSO+H"	79.021207
"1010348"	335.082476	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2ACN+H"	83.060376
"1529926"	336.076108	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+IsoProp+Na+H"	84.054008
"994918"	168.044876	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+2ACN+2H"	84.067652
"1595997"	336.990728	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+K+HCOOH"	84.968628
"1428589"	367.022238	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+H+CF3COOH"	115.000138
"1159972"	188.558151	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+3ACN+2H"	125.094202
"1709154"	384.048785	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+NH4+CF3COOH"	132.026685
"1639336"	389.00418	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+Na+CF3COOH"	136.98208
"1583734"	404.97812	"C19225"	"33-Dichlorobenzidine"	"C12H10Cl2N2"	"252.0221"	"M+K+CF3COOH"	152.95602
"802556"	268.017	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M"	0
"982165"	248.99861	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-H2O-H"	-19.01839
"69311"	177.670724	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M-3H"	-3.021828
"518325"	267.009724	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M-3H"	-3.021828
"894332"	88.331724	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-3H"	-3.021828
"10718"	267.009724	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M-2H"	-2.014552
"446998"	401.018224	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M-2H"	-2.014552
"830270"	133.001224	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-2H"	-2.014552
"81877"	535.026724	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M-H"	-1.007276
"519978"	803.043724	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M-H"	-1.007276
"895802"	267.009724	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-H"	-1.007276
"53251"	552.053271	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M-2H+NH4"	16.019271
"500473"	820.070271	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M-2H+NH4"	16.019271
"876821"	284.036271	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-2H+NH4"	16.019271
"42896"	557.008666	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M-2H+Na"	20.974666
"480271"	825.025666	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M-2H+Na"	20.974666
"853699"	288.991666	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-2H+Na"	20.974666
"1623230"	288.991666	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Na-2H"	20.974666
"97573"	284.998063	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M-H+Cl"	33.962126
"538225"	419.006563	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M-H+Cl"	33.962126
"932832"	150.989563	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-H+Cl"	33.962126
"271389"	571.003402	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+Cl"	34.969402
"666002"	839.020402	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+Cl"	34.969402
"1282419"	302.986402	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Cl"	34.969402
"31180"	572.982606	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M-2H+K"	36.948606
"471070"	840.999606	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M-2H+K"	36.948606
"848059"	304.965606	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-2H+K"	36.948606
"1568384"	304.965606	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+K-2H"	36.948606
"956631"	313.015194	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-H+HCOOH"	44.998194
"375219"	581.032201	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+HCOOH-H"	44.998201
"359707"	595.047851	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+Hac-H"	59.013851
"1506473"	327.030851	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Hac-H"	59.013851
"969643"	334.997151	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-H+NaCOOH"	66.980151
"122190"	302.986402	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+2Cl"	69.938804
"556649"	436.994902	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+2Cl"	69.938804
"1033836"	168.977902	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2Cl"	69.938804
"1255969"	346.935885	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Br"	78.918885
"1318416"	348.991872	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Cl+HCOOH"	80.974872
"1333728"	370.973829	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Cl+NaCOOH"	102.956829
"925515"	381.002586	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M-H+CF3COOH"	112.985586
"1302221"	416.979264	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Cl+CF3COOH"	148.962264
"1375278"	233.004324	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H-2H2O"	-35.012676
"1388399"	251.0143	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H-H2O"	-17.0027
"292459"	537.041276	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+H"	1.007276
"679413"	805.058276	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+H"	1.007276
"1356854"	269.024276	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H"	1.007276
"131928"	269.024276	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+2H"	2.014552
"569301"	403.032776	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+2H"	2.014552
"1046848"	135.015776	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2H"	2.014552
"214384"	179.685276	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+3H"	3.021828
"646655"	269.024276	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+3H"	3.021828
"1165144"	90.346276	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+3H"	3.021828
"431344"	554.067823	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+NH4"	18.033823
"791246"	822.084823	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+NH4"	18.033823
"1686119"	286.050823	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+NH4"	18.033823
"331843"	277.5375495	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+H+NH4"	19.041099
"726452"	411.5460495	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+H+NH4"	19.041099
"1484283"	143.5290495	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H+NH4"	19.041099
"394944"	559.023218	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+Na"	22.989218
"767241"	827.040218	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+Na"	22.989218
"1610965"	291.006218	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Na"	22.989218
"325378"	280.015247	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+H+Na"	23.996494
"716705"	414.023747	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+H+Na"	23.996494
"1469431"	146.006747	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H+Na"	23.996494
"1060489"	97.67359	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2H+Na"	25.00377
"1265449"	301.050486	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+CH3OH+H"	33.033486
"381836"	574.997158	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+K"	38.963158
"748297"	843.014158	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+K"	38.963158
"1549261"	306.980158	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+K"	38.963158
"307531"	288.002217	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+H+K"	39.970434
"695577"	422.010717	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+H+K"	39.970434
"1454866"	153.993717	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H+K"	39.970434
"245657"	578.067826	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+ACN+H"	42.033826
"1218366"	310.050826	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+ACN+H"	42.033826
"1194467"	155.529051	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+ACN+2H"	43.041102
"188755"	581.00516	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+2Na-H"	44.97116
"628802"	849.02216	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+2Na-H"	44.97116
"1133810"	312.98816	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2Na-H"	44.97116
"183665"	291.006218	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+2Na"	45.978436
"614719"	425.014718	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+2Na"	45.978436
"1130015"	156.997718	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2Na"	45.978436
"1412450"	105.000904	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H+2Na"	46.985712
"1438003"	315.029746	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H+HCOOH"	47.012746
"234260"	296.03924	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+3H2O+2H"	56.04448
"1522322"	329.08179	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+IsoProp+H"	61.06479
"414354"	298.993188	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+Na+K"	61.952376
"779722"	433.001688	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+Na+K"	61.952376
"1674959"	164.984688	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Na+K"	61.952376
"263666"	600.049768	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+ACN+Na"	64.015768
"1237474"	332.032768	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+ACN+Na"	64.015768
"1718703"	332.056293	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+NH4+HCOOH"	64.039293
"1184058"	112.328218	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+3Na"	68.967654
"1655043"	337.011688	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Na+HCOOH"	68.994688
"164091"	612.95304	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+2K-H"	76.91904
"603651"	880.97004	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+2K-H"	76.91904
"1088168"	344.93604	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2K-H"	76.91904
"142063"	306.980158	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"2M+2K"	77.926316
"588915"	440.988658	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"3M+2K"	77.926316
"1074520"	172.971658	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2K"	77.926316
"1103354"	346.950592	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2K+H"	78.933592
"1339741"	347.038207	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+DMSO+H"	79.021207
"1010458"	351.077376	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2ACN+H"	83.060376
"1526756"	352.071008	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+IsoProp+Na+H"	84.054008
"993934"	176.042326	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+2ACN+2H"	84.067652
"1596107"	352.985628	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+K+HCOOH"	84.968628
"1428699"	383.017138	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+H+CF3COOH"	115.000138
"1161175"	196.555601	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+3ACN+2H"	125.094202
"1710357"	400.043685	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+NH4+CF3COOH"	132.026685
"1648194"	404.99908	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+Na+CF3COOH"	136.98208
"1583844"	420.97302	"C19226"	"33-Dichloro-44-diaminodiphenyl ether"	"C12H10Cl2N2O"	"268.017"	"M+K+CF3COOH"	152.95602
"802181"	88.1	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M"	0
"981181"	69.08161	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-H2O-H"	-19.01839
"67234"	57.7260573333333	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M-3H"	-3.021828
"518336"	87.092724	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M-3H"	-3.021828
"894200"	28.3593906666667	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-3H"	-3.021828
"10828"	87.092724	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M-2H"	-2.014552
"443827"	131.142724	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M-2H"	-2.014552
"830380"	43.042724	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-2H"	-2.014552
"83080"	175.192724	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M-H"	-1.007276
"518747"	263.292724	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M-H"	-1.007276
"896185"	87.092724	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-H"	-1.007276
"54454"	192.219271	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M-2H+NH4"	16.019271
"499491"	280.319271	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M-2H+NH4"	16.019271
"878753"	104.119271	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-2H+NH4"	16.019271
"43373"	197.174666	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M-2H+Na"	20.974666
"477101"	285.274666	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M-2H+Na"	20.974666
"853809"	109.074666	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-2H+Na"	20.974666
"1622246"	109.074666	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Na-2H"	20.974666
"97682"	105.081063	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M-H+Cl"	33.962126
"538333"	149.131063	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M-H+Cl"	33.962126
"931848"	61.031063	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-H+Cl"	33.962126
"268581"	211.169402	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+Cl"	34.969402
"666112"	299.269402	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+Cl"	34.969402
"1281436"	123.069402	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Cl"	34.969402
"24354"	213.148606	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M-2H+K"	36.948606
"470487"	301.248606	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M-2H+K"	36.948606
"846467"	125.048606	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-2H+K"	36.948606
"1567401"	125.048606	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+K-2H"	36.948606
"957956"	133.098194	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-H+HCOOH"	44.998194
"374594"	221.198201	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+HCOOH-H"	44.998201
"359571"	235.213851	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+Hac-H"	59.013851
"1506220"	147.113851	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Hac-H"	59.013851
"971937"	155.080151	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-H+NaCOOH"	66.980151
"121208"	123.069402	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+2Cl"	69.938804
"556759"	167.119402	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+2Cl"	69.938804
"1033946"	79.019402	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2Cl"	69.938804
"1249513"	167.018885	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Br"	78.918885
"1318525"	169.074872	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Cl+HCOOH"	80.974872
"1330551"	191.056829	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Cl+NaCOOH"	102.956829
"925985"	201.085586	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M-H+CF3COOH"	112.985586
"1302694"	237.062264	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Cl+CF3COOH"	148.962264
"1375388"	53.087324	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H-2H2O"	-35.012676
"1388509"	71.0973	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H-H2O"	-17.0027
"292569"	177.207276	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+H"	1.007276
"681709"	265.307276	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+H"	1.007276
"1354777"	89.107276	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H"	1.007276
"132037"	89.107276	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+2H"	2.014552
"569410"	133.157276	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+2H"	2.014552
"1039301"	45.057276	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2H"	2.014552
"209388"	59.7406093333333	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+3H"	3.021828
"648951"	89.107276	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+3H"	3.021828
"1163550"	30.3739426666667	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+3H"	3.021828
"431454"	194.233823	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+NH4"	18.033823
"791356"	282.333823	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+NH4"	18.033823
"1685865"	106.133823	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+NH4"	18.033823
"332317"	97.6205495	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+H+NH4"	19.041099
"729478"	141.6705495	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+H+NH4"	19.041099
"1481477"	53.5705495	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H+NH4"	19.041099
"395782"	199.189218	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+Na"	22.989218
"766258"	287.289218	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+Na"	22.989218
"1611075"	111.089218	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Na"	22.989218
"325488"	100.098247	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+H+Na"	23.996494
"714628"	144.148247	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+H+Na"	23.996494
"1467355"	56.048247	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H+Na"	23.996494
"1059506"	37.7012566666667	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2H+Na"	25.00377
"1264466"	121.133486	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+CH3OH+H"	33.033486
"380488"	215.163158	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+K"	38.963158
"745127"	303.263158	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+K"	38.963158
"1549371"	127.063158	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+K"	38.963158
"303265"	108.085217	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+H+K"	39.970434
"696050"	152.135217	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+H+K"	39.970434
"1452787"	64.035217	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H+K"	39.970434
"241389"	218.233826	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+ACN+H"	42.033826
"1212277"	130.133826	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+ACN+H"	42.033826
"1201262"	65.570551	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+ACN+2H"	43.041102
"197413"	221.17116	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+2Na-H"	44.97116
"638066"	309.27116	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+2Na-H"	44.97116
"1131813"	133.07116	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2Na-H"	44.97116
"172973"	111.089218	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+2Na"	45.978436
"612895"	155.139218	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+2Na"	45.978436
"1129031"	67.039218	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2Na"	45.978436
"1410371"	45.0285706666667	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H+2Na"	46.985712
"1438113"	135.112746	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H+HCOOH"	47.012746
"232182"	116.12224	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+3H2O+2H"	56.04448
"1522067"	149.16479	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+IsoProp+H"	61.06479
"413005"	119.076188	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+Na+K"	61.952376
"781655"	163.126188	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+Na+K"	61.952376
"1675069"	75.026188	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Na+K"	61.952376
"264505"	240.215768	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+ACN+Na"	64.015768
"1233208"	152.115768	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+ACN+Na"	64.015768
"1722093"	152.139293	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+NH4+HCOOH"	64.039293
"1184167"	52.3558846666667	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+3Na"	68.967654
"1655153"	157.094688	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Na+HCOOH"	68.994688
"164201"	253.11904	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+2K-H"	76.91904
"598294"	341.21904	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+2K-H"	76.91904
"1091557"	165.01904	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2K-H"	76.91904
"142292"	127.063158	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"2M+2K"	77.926316
"584651"	171.113158	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"3M+2K"	77.926316
"1073536"	83.013158	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2K"	77.926316
"1101642"	167.033592	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2K+H"	78.933592
"1340944"	167.121207	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+DMSO+H"	79.021207
"1007288"	171.160376	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2ACN+H"	83.060376
"1526865"	172.154008	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+IsoProp+Na+H"	84.054008
"992951"	86.083826	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+2ACN+2H"	84.067652
"1596217"	173.068628	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+K+HCOOH"	84.968628
"1427350"	203.100138	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+H+CF3COOH"	115.000138
"1162653"	106.597101	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+3ACN+2H"	125.094202
"1711560"	220.126685	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+NH4+CF3COOH"	132.026685
"1648304"	225.08208	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+Na+CF3COOH"	136.98208
"1583954"	241.05602	"C19227"	"12-Diethylhydrazine"	"C4H12N2"	"88.1"	"M+K+CF3COOH"	152.95602
"804478"	222.0892	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M"	0
"982385"	203.07081	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-H2O-H"	-19.01839
"67344"	147.052190666667	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M-3H"	-3.021828
"517846"	221.081924	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M-3H"	-3.021828
"894799"	73.0224573333333	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-3H"	-3.021828
"9845"	221.081924	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M-2H"	-2.014552
"442844"	332.126524	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M-2H"	-2.014552
"830490"	110.037324	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-2H"	-2.014552
"82826"	443.171124	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M-H"	-1.007276
"519949"	665.260324	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M-H"	-1.007276
"897873"	221.081924	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-H"	-1.007276
"49089"	460.197671	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M-2H+NH4"	16.019271
"498505"	682.286871	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M-2H+NH4"	16.019271
"875577"	238.108471	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-2H+NH4"	16.019271
"37644"	465.153066	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M-2H+Na"	20.974666
"479398"	687.242266	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M-2H+Na"	20.974666
"853919"	243.063866	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-2H+Na"	20.974666
"1622356"	243.063866	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Na-2H"	20.974666
"96699"	239.070263	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M-H+Cl"	33.962126
"536257"	350.114863	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M-H+Cl"	33.962126
"931959"	128.025663	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-H+Cl"	33.962126
"270514"	479.147802	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+Cl"	34.969402
"666220"	701.237002	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+Cl"	34.969402
"1284823"	257.058602	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Cl"	34.969402
"25558"	481.127006	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M-2H+K"	36.948606
"468408"	703.216206	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M-2H+K"	36.948606
"846578"	259.037806	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-2H+K"	36.948606
"1567509"	259.037806	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+K-2H"	36.948606
"954297"	267.087394	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-H+HCOOH"	44.998194
"373607"	489.176601	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+HCOOH-H"	44.998201
"358584"	503.192251	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+Hac-H"	59.013851
"1506325"	281.103051	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Hac-H"	59.013851
"972775"	289.069351	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-H+NaCOOH"	66.980151
"122047"	257.058602	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+2Cl"	69.938804
"560149"	368.103202	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+2Cl"	69.938804
"1034056"	146.014002	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2Cl"	69.938804
"1250353"	301.008085	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Br"	78.918885
"1318880"	303.064072	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Cl+HCOOH"	80.974872
"1329568"	325.046029	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Cl+NaCOOH"	102.956829
"926095"	335.074786	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M-H+CF3COOH"	112.985586
"1302683"	371.051464	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Cl+CF3COOH"	148.962264
"1377685"	187.076524	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H-2H2O"	-35.012676
"1391899"	205.0865	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H-H2O"	-17.0027
"289399"	445.185676	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+H"	1.007276
"684005"	667.274876	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+H"	1.007276
"1353794"	223.096476	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H"	1.007276
"132147"	223.096476	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+2H"	2.014552
"569884"	334.141076	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+2H"	2.014552
"1041598"	112.051876	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2H"	2.014552
"207677"	149.066742666667	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+3H"	3.021828
"652341"	223.096476	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+3H"	3.021828
"1167185"	75.0370093333333	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+3H"	3.021828
"431564"	462.212223	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+NH4"	18.033823
"793653"	684.301423	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+NH4"	18.033823
"1686705"	240.123023	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+NH4"	18.033823
"333885"	231.6097495	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+H+NH4"	19.041099
"726307"	342.6543495	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+H+NH4"	19.041099
"1478670"	120.5651495	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H+NH4"	19.041099
"394800"	467.167618	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+Na"	22.989218
"766368"	689.256818	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+Na"	22.989218
"1613372"	245.078418	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Na"	22.989218
"325598"	234.087447	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+H+Na"	23.996494
"714738"	345.132047	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+H+Na"	23.996494
"1468558"	123.042847	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H+Na"	23.996494
"1058522"	82.3643233333333	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2H+Na"	25.00377
"1264576"	255.122686	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+CH3OH+H"	33.033486
"382057"	483.141558	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+K"	38.963158
"746330"	705.230758	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+K"	38.963158
"1549481"	261.052358	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+K"	38.963158
"304468"	242.074417	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+H+K"	39.970434
"696890"	353.119017	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+H+K"	39.970434
"1452897"	131.029817	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H+K"	39.970434
"243687"	486.212226	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+ACN+H"	42.033826
"1213481"	264.123026	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+ACN+H"	42.033826
"1202466"	132.565151	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+ACN+2H"	43.041102
"197523"	489.14956	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+2Na-H"	44.97116
"641092"	711.23876	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+2Na-H"	44.97116
"1132935"	267.06036	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2Na-H"	44.97116
"172957"	245.078418	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+2Na"	45.978436
"615786"	356.123018	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+2Na"	45.978436
"1125862"	134.033818	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2Na"	45.978436
"1412304"	89.6916373333333	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H+2Na"	46.985712
"1440410"	269.101946	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H+HCOOH"	47.012746
"234115"	250.11144	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+3H2O+2H"	56.04448
"1520354"	283.15399	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+IsoProp+H"	61.06479
"420041"	253.065388	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+Na+K"	61.952376
"782129"	364.109988	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+Na+K"	61.952376
"1675179"	142.020788	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Na+K"	61.952376
"263886"	508.194168	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+ACN+Na"	64.015768
"1235506"	286.104968	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+ACN+Na"	64.015768
"1721111"	286.128493	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+NH4+HCOOH"	64.039293
"1183184"	97.0189513333333	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+3Na"	68.967654
"1655264"	291.083888	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Na+HCOOH"	68.994688
"165405"	521.09744	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+2K-H"	76.91904
"604965"	743.18664	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+2K-H"	76.91904
"1089480"	299.00824	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2K-H"	76.91904
"142039"	261.052358	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"2M+2K"	77.926316
"586948"	372.096958	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"3M+2K"	77.926316
"1074740"	150.007758	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2K"	77.926316
"1109042"	301.022792	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2K+H"	78.933592
"1338868"	301.110407	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+DMSO+H"	79.021207
"1008491"	305.149576	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2ACN+H"	83.060376
"1526976"	306.143208	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+IsoProp+Na+H"	84.054008
"991969"	153.078426	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+2ACN+2H"	84.067652
"1596327"	307.057828	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+K+HCOOH"	84.968628
"1428554"	337.089338	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+H+CF3COOH"	115.000138
"1161394"	173.591701	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+3ACN+2H"	125.094202
"1711670"	354.115885	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+NH4+CF3COOH"	132.026685
"1649507"	359.07128	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+Na+CF3COOH"	136.98208
"1584064"	375.04522	"C19228"	"Diglycidyl resorcinol ether"	"C12H14O4"	"222.0892"	"M+K+CF3COOH"	152.95602
"803494"	164.0837	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M"	0
"980308"	145.06531	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"67454"	108.381857333333	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"517836"	163.076424	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"894662"	53.6872906666667	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"7768"	163.076424	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"444047"	245.118274	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"830600"	81.034574	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"88405"	327.160124	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"519820"	491.243824	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"897739"	163.076424	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"49928"	344.186671	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"498615"	508.270371	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"875322"	180.102971	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"37754"	349.142066	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"479508"	513.225766	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"858402"	185.058366	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1621373"	185.058366	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"96809"	181.064763	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"535515"	263.106613	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"933162"	99.022913	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"273905"	363.136802	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"665236"	527.220502	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1284932"	199.053102	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"28581"	365.116006	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"465229"	529.199706	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"840845"	201.032306	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1563240"	201.032306	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"954405"	209.081894	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"369339"	373.165601	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"358694"	387.181251	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1506923"	223.097551	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"973129"	231.063851	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"125560"	199.053102	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"565571"	281.094952	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1034529"	117.011252	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1253742"	243.002585	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1313273"	245.058572	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1332593"	267.040529	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"926691"	277.069286	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1294162"	313.045964	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1378888"	129.071024	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1392009"	147.081	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"289509"	329.174676	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"680834"	493.258376	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1357183"	165.090976	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"132258"	165.090976	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"569994"	247.132826	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1042801"	83.049126	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"211798"	110.396409333333	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"654274"	165.090976	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1164136"	55.7018426666667	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"432767"	346.201223	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"794856"	510.284923	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1689001"	182.117523	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"333267"	173.6042495	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"726417"	255.6460995	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1481331"	91.5623995	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"396366"	351.156618	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"767571"	515.240318	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1614577"	187.072918	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"328140"	176.081947	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"721048"	258.123797	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1470854"	94.040097	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1060819"	63.0291566666667	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1263592"	197.117186	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"385447"	367.130558	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"747535"	531.214258	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1552867"	203.046858	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"312229"	184.068917	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"695907"	266.110767	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1454099"	102.027067	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"245984"	370.201226	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1216507"	206.117526	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1198203"	103.562401	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"200913"	373.13856	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"642297"	537.22226	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1137420"	209.05486	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"178889"	187.072918	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"613831"	269.114768	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1126698"	105.031068	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1411686"	70.3564706666667	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1441614"	211.096446	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"233496"	192.10594	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1520464"	225.14849	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"417964"	195.059888	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"782239"	277.101738	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1679663"	113.018038	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"263996"	392.183168	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1235616"	228.099468	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1721221"	228.122993	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1183294"	77.6837846666667	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1655739"	233.078388	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"163328"	405.08644	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"605075"	569.17014	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1088497"	241.00274	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"142759"	203.046858	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"587058"	285.088708	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1077037"	121.005008	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1106965"	243.017292	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1337885"	243.104907	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1007508"	247.144076	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1528544"	248.137708	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"992807"	124.075676	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1598990"	249.052328	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1427569"	279.083838	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1161867"	144.588951	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1708499"	296.110385	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1649496"	301.06578	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1584174"	317.03972	"C19229"	"Dihydrosafrole;12-(Methylenedioxy)-4-propylbenzene"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"802875"	182.0613	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M"	0
"980418"	163.04291	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-H2O-H"	-19.01839
"66471"	120.366924	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M-3H"	-3.021828
"516971"	181.054024	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M-3H"	-3.021828
"894772"	59.679824	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-3H"	-3.021828
"5692"	181.054024	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M-2H"	-2.014552
"440140"	272.084674	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M-2H"	-2.014552
"830710"	90.023374	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-2H"	-2.014552
"80860"	363.115324	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M-H"	-1.007276
"519202"	545.176624	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M-H"	-1.007276
"897484"	181.054024	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-H"	-1.007276
"48944"	380.141871	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M-2H+NH4"	16.019271
"499454"	562.203171	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M-2H+NH4"	16.019271
"874339"	198.080571	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-2H+NH4"	16.019271
"40051"	385.097266	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M-2H+Na"	20.974666
"479618"	567.158566	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M-2H+Na"	20.974666
"859607"	203.035966	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-2H+Na"	20.974666
"1622577"	203.035966	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Na-2H"	20.974666
"98012"	199.042363	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M-H+Cl"	33.962126
"538663"	290.073013	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M-H+Cl"	33.962126
"931086"	108.011713	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-H+Cl"	33.962126
"272922"	399.092002	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+Cl"	34.969402
"667534"	581.153302	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+Cl"	34.969402
"1285406"	217.030702	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Cl"	34.969402
"27962"	401.071206	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M-2H+K"	36.948606
"466428"	583.132506	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M-2H+K"	36.948606
"843139"	219.009906	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-2H+K"	36.948606
"1565537"	219.009906	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+K-2H"	36.948606
"952323"	227.059494	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-H+HCOOH"	44.998194
"368353"	409.120801	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+HCOOH-H"	44.998201
"350055"	423.136451	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+Hac-H"	59.013851
"1508006"	241.075151	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Hac-H"	59.013851
"972871"	249.041451	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-H+NaCOOH"	66.980151
"124572"	217.030702	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+2Cl"	69.938804
"564991"	308.061352	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+2Cl"	69.938804
"1034639"	126.000052	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2Cl"	69.938804
"1253852"	260.980185	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Br"	78.918885
"1313383"	263.036172	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Cl+HCOOH"	80.974872
"1333068"	285.018129	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Cl+NaCOOH"	102.956829
"921938"	295.046886	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M-H+CF3COOH"	112.985586
"1296460"	331.023564	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Cl+CF3COOH"	148.962264
"1374620"	147.048624	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H-2H2O"	-35.012676
"1389932"	165.0586	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H-H2O"	-17.0027
"289619"	365.129876	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+H"	1.007276
"680944"	547.191176	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+H"	1.007276
"1355105"	183.068576	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H"	1.007276
"129452"	183.068576	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+2H"	2.014552
"567554"	274.099226	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+2H"	2.014552
"1039632"	92.037926	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2H"	2.014552
"208626"	122.381476	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+3H"	3.021828
"646000"	183.068576	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+3H"	3.021828
"1163394"	61.694376	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+3H"	3.021828
"435067"	382.156423	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+NH4"	18.033823
"796062"	564.217723	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+NH4"	18.033823
"1687289"	200.095123	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+NH4"	18.033823
"332647"	191.5818495	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+H+NH4"	19.041099
"726162"	282.6124995	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+H+NH4"	19.041099
"1479253"	100.5511995	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H+NH4"	19.041099
"395748"	387.111818	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+Na"	22.989218
"763308"	569.173118	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+Na"	22.989218
"1611407"	205.050518	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Na"	22.989218
"326912"	194.059547	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+H+Na"	23.996494
"717146"	285.090197	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+H+Na"	23.996494
"1464402"	103.028897	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H+Na"	23.996494
"1057649"	69.02169	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2H+Na"	25.00377
"1261515"	215.094786	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+CH3OH+H"	33.033486
"383370"	403.085758	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+K"	38.963158
"745458"	585.147058	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+K"	38.963158
"1549696"	221.024458	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+K"	38.963158
"310153"	202.046517	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+H+K"	39.970434
"692858"	293.077167	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+H+K"	39.970434
"1450929"	111.015867	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H+K"	39.970434
"243907"	406.156426	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+ACN+H"	42.033826
"1211513"	224.095126	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+ACN+H"	42.033826
"1195396"	112.551201	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+ACN+2H"	43.041102
"199930"	409.09376	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+2Na-H"	44.97116
"641676"	591.15506	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+2Na-H"	44.97116
"1132184"	227.03246	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2Na-H"	44.97116
"178999"	205.050518	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+2Na"	45.978436
"615520"	296.081168	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+2Na"	45.978436
"1127172"	114.019868	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2Na"	45.978436
"1409608"	76.349004	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H+2Na"	46.985712
"1436257"	229.074046	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H+HCOOH"	47.012746
"233606"	210.08354	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+3H2O+2H"	56.04448
"1521667"	243.12609	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+IsoProp+H"	61.06479
"414794"	213.037488	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+Na+K"	61.952376
"782349"	304.068138	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+Na+K"	61.952376
"1679410"	122.006838	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Na+K"	61.952376
"264106"	428.138368	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+ACN+Na"	64.015768
"1235723"	246.077068	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+ACN+Na"	64.015768
"1724608"	246.100593	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+NH4+HCOOH"	64.039293
"1183404"	83.676318	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+3Na"	68.967654
"1656576"	251.055988	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Na+HCOOH"	68.994688
"161251"	441.04164	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+2K-H"	76.91904
"602998"	623.10294	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+2K-H"	76.91904
"1090064"	258.98034	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2K-H"	76.91904
"143234"	221.024458	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"2M+2K"	77.926316
"584981"	312.055108	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"3M+2K"	77.926316
"1078240"	129.993808	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2K"	77.926316
"1108168"	260.994892	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2K+H"	78.933592
"1337995"	261.082507	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+DMSO+H"	79.021207
"1006767"	265.121676	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2ACN+H"	83.060376
"1529019"	266.115308	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+IsoProp+Na+H"	84.054008
"991459"	133.064476	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+2ACN+2H"	84.067652
"1599828"	267.029928	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+K+HCOOH"	84.968628
"1428043"	297.061438	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+H+CF3COOH"	115.000138
"1161613"	153.577751	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+3ACN+2H"	125.094202
"1708609"	314.087985	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+NH4+CF3COOH"	132.026685
"1649485"	319.04338	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+Na+CF3COOH"	136.98208
"1584284"	335.01732	"C19230"	"Diisopropyl sulfate"	"C6H14O4S"	"182.0613"	"M+K+CF3COOH"	152.95602
"808088"	244.1212	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M"	0
"980528"	225.10281	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-H2O-H"	-19.01839
"64395"	161.740190666667	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M-3H"	-3.021828
"515988"	243.113924	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M-3H"	-3.021828
"894640"	80.3664573333333	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-3H"	-3.021828
"5802"	243.113924	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M-2H"	-2.014552
"440496"	365.174524	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M-2H"	-2.014552
"824259"	121.053324	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-2H"	-2.014552
"79877"	487.235124	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M-H"	-1.007276
"518822"	731.356324	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M-H"	-1.007276
"897959"	243.113924	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-H"	-1.007276
"49053"	504.261671	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M-2H+NH4"	16.019271
"498835"	748.382871	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M-2H+NH4"	16.019271
"873356"	260.140471	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-2H+NH4"	16.019271
"40161"	509.217066	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M-2H+Na"	20.974666
"480815"	753.338266	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M-2H+Na"	20.974666
"859717"	265.095866	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-2H+Na"	20.974666
"1622688"	265.095866	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Na-2H"	20.974666
"97030"	261.102263	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M-H+Cl"	33.962126
"537681"	383.162863	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M-H+Cl"	33.962126
"932289"	139.041663	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-H+Cl"	33.962126
"273032"	523.211802	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+Cl"	34.969402
"666551"	767.333002	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+Cl"	34.969402
"1280051"	279.090602	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Cl"	34.969402
"23700"	525.191006	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M-2H+K"	36.948606
"464354"	769.312206	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M-2H+K"	36.948606
"842160"	281.069806	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-2H+K"	36.948606
"1567836"	281.069806	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+K-2H"	36.948606
"952436"	289.119394	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-H+HCOOH"	44.998194
"368464"	533.240601	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+HCOOH-H"	44.998201
"355269"	547.256251	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+Hac-H"	59.013851
"1507996"	303.135051	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Hac-H"	59.013851
"973832"	311.101351	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-H+NaCOOH"	66.980151
"123467"	279.090602	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+2Cl"	69.938804
"563393"	401.151202	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+2Cl"	69.938804
"1034384"	157.030002	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2Cl"	69.938804
"1251046"	323.040085	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Br"	78.918885
"1314586"	325.096072	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Cl+HCOOH"	80.974872
"1331721"	347.078029	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Cl+NaCOOH"	102.956829
"921684"	357.106786	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M-H+CF3COOH"	112.985586
"1299850"	393.083464	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Cl+CF3COOH"	148.962264
"1371449"	209.108524	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H-2H2O"	-35.012676
"1388949"	227.1185	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H-H2O"	-17.0027
"287541"	489.249676	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+H"	1.007276
"678502"	733.370876	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+H"	1.007276
"1351932"	245.128476	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H"	1.007276
"128104"	245.128476	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+2H"	2.014552
"567664"	367.189076	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+2H"	2.014552
"1037798"	123.067876	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2H"	2.014552
"205458"	163.754742666667	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+3H"	3.021828
"644514"	245.128476	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+3H"	3.021828
"1163085"	82.3810093333333	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+3H"	3.021828
"434084"	506.276223	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+NH4"	18.033823
"796538"	750.397423	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+NH4"	18.033823
"1689223"	262.155023	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+NH4"	18.033823
"333122"	253.6417495	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+H+NH4"	19.041099
"726636"	375.7023495	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+H+NH4"	19.041099
"1480092"	131.5811495	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H+NH4"	19.041099
"400233"	511.231618	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+Na"	22.989218
"764511"	755.352818	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+Na"	22.989218
"1612610"	267.110418	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Na"	22.989218
"329885"	256.119447	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+H+Na"	23.996494
"715069"	378.180047	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+H+Na"	23.996494
"1464512"	134.058847	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H+Na"	23.996494
"1055570"	89.7083233333333	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2H+Na"	25.00377
"1262718"	277.154686	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+CH3OH+H"	33.033486
"380564"	527.205558	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+K"	38.963158
"744475"	771.326758	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+K"	38.963158
"1549808"	283.084358	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+K"	38.963158
"310264"	264.106417	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+H+K"	39.970434
"698314"	386.167017	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+H+K"	39.970434
"1454321"	142.045817	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H+K"	39.970434
"245112"	530.276226	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+ACN+H"	42.033826
"1213446"	286.155026	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+ACN+H"	42.033826
"1195019"	143.581151	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+ACN+2H"	43.041102
"196760"	533.21356	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+2Na-H"	44.97116
"635226"	777.33476	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+2Na-H"	44.97116
"1134360"	289.09236	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2Na-H"	44.97116
"176193"	267.110418	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+2Na"	45.978436
"612981"	389.171018	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+2Na"	45.978436
"1127282"	145.049818	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2Na"	45.978436
"1410812"	97.0356373333333	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H+2Na"	46.985712
"1442928"	291.133946	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H+HCOOH"	47.012746
"230437"	272.14344	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+3H2O+2H"	56.04448
"1522508"	305.18599	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+IsoProp+H"	61.06479
"420372"	275.097388	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+Na+K"	61.952376
"784646"	397.157988	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+Na+K"	61.952376
"1681062"	153.036788	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Na+K"	61.952376
"265310"	552.258168	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+ACN+Na"	64.015768
"1238993"	308.136968	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+ACN+Na"	64.015768
"1724719"	308.160493	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+NH4+HCOOH"	64.039293
"1187888"	104.362951333333	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+3Na"	68.967654
"1662153"	313.115888	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Na+HCOOH"	68.994688
"162455"	565.16144	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+2K-H"	76.91904
"604202"	809.28264	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+2K-H"	76.91904
"1088717"	321.04024	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2K-H"	76.91904
"143708"	283.084358	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"2M+2K"	77.926316
"586186"	405.144958	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"3M+2K"	77.926316
"1077257"	161.023758	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2K"	77.926316
"1109372"	323.054792	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2K+H"	78.933592
"1337012"	323.142407	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+DMSO+H"	79.021207
"1006511"	327.181576	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2ACN+H"	83.060376
"1525849"	328.175208	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+IsoProp+Na+H"	84.054008
"991570"	164.094426	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+2ACN+2H"	84.067652
"1599938"	329.089828	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+K+HCOOH"	84.968628
"1425599"	359.121338	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+H+CF3COOH"	115.000138
"1158075"	184.607701	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+3ACN+2H"	125.094202
"1703251"	376.147885	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+NH4+CF3COOH"	132.026685
"1648744"	381.10328	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+Na+CF3COOH"	136.98208
"1584394"	397.07722	"C19231"	"33-Dimethoxybenzidine;ortho-Dianisidine"	"C14H16N2O2"	"244.1212"	"M+K+CF3COOH"	152.95602
"804918"	277.0811	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M"	0
"975170"	258.06271	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-H2O-H"	-19.01839
"64505"	183.713457333333	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M-3H"	-3.021828
"517190"	276.073824	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M-3H"	-3.021828
"890618"	91.3530906666667	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-3H"	-3.021828
"8099"	276.073824	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M-2H"	-2.014552
"440114"	414.614374	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M-2H"	-2.014552
"827649"	137.533274	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-2H"	-2.014552
"83267"	553.154924	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M-H"	-1.007276
"518937"	830.236024	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M-H"	-1.007276
"895800"	276.073824	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-H"	-1.007276
"47422"	570.181471	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M-2H+NH4"	16.019271
"501133"	847.262571	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M-2H+NH4"	16.019271
"876382"	293.100371	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-2H+NH4"	16.019271
"40271"	575.136866	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M-2H+Na"	20.974666
"479832"	852.217966	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M-2H+Na"	20.974666
"857641"	298.055766	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-2H+Na"	20.974666
"1622798"	298.055766	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Na-2H"	20.974666
"97505"	294.062163	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M-H+Cl"	33.962126
"541073"	432.602713	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M-H+Cl"	33.962126
"930214"	155.521613	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-H+Cl"	33.962126
"273144"	589.131602	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+Cl"	34.969402
"665566"	866.212702	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+Cl"	34.969402
"1276874"	312.050502	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Cl"	34.969402
"21622"	591.110806	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M-2H+K"	36.948606
"461183"	868.191906	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M-2H+K"	36.948606
"842269"	314.029706	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-2H+K"	36.948606
"1567582"	314.029706	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+K-2H"	36.948606
"952546"	322.079294	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-H+HCOOH"	44.998194
"368574"	599.160401	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+HCOOH-H"	44.998201
"356838"	613.176051	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+Hac-H"	59.013851
"1508345"	336.094951	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Hac-H"	59.013851
"970296"	344.061251	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-H+NaCOOH"	66.980151
"123577"	312.050502	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+2Cl"	69.938804
"563503"	450.591052	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+2Cl"	69.938804
"1025011"	173.509952	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2Cl"	69.938804
"1253342"	355.999985	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Br"	78.918885
"1314696"	358.055972	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Cl+HCOOH"	80.974872
"1332924"	380.037929	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Cl+NaCOOH"	102.956829
"921794"	390.066686	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M-H+CF3COOH"	112.985586
"1296680"	426.043364	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Cl+CF3COOH"	148.962264
"1373746"	242.068424	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H-2H2O"	-35.012676
"1387961"	260.0784	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H-H2O"	-17.0027
"289838"	555.169476	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+H"	1.007276
"678979"	832.250576	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+H"	1.007276
"1352409"	278.088376	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H"	1.007276
"128213"	278.088376	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+2H"	2.014552
"567044"	416.628926	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+2H"	2.014552
"1039852"	139.547826	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2H"	2.014552
"204506"	185.728009333333	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+3H"	3.021828
"645366"	278.088376	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+3H"	3.021828
"1163000"	93.3676426666667	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+3H"	3.021828
"435287"	572.196023	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+NH4"	18.033823
"796282"	849.277123	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+NH4"	18.033823
"1689333"	295.114923	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+NH4"	18.033823
"333232"	286.6016495	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+H+NH4"	19.041099
"725288"	425.1421995	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+H+NH4"	19.041099
"1481661"	148.0610995	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H+NH4"	19.041099
"398155"	577.151418	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+Na"	22.989218
"760246"	854.232518	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+Na"	22.989218
"1612720"	300.070318	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Na"	22.989218
"328472"	289.079347	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+H+Na"	23.996494
"715179"	427.619897	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+H+Na"	23.996494
"1463529"	150.538797	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H+Na"	23.996494
"1054587"	100.694956666667	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2H+Na"	25.00377
"1261006"	310.114586	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+CH3OH+H"	33.033486
"378122"	593.125358	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+K"	38.963158
"743491"	870.206458	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+K"	38.963158
"1548824"	316.044258	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+K"	38.963158
"309280"	297.066317	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+H+K"	39.970434
"697331"	435.606867	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+H+K"	39.970434
"1454430"	158.525767	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H+K"	39.970434
"239754"	596.196026	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+ACN+H"	42.033826
"1213557"	319.114926	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+ACN+H"	42.033826
"1196711"	160.061101	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+ACN+2H"	43.041102
"197964"	599.13336	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+2Na-H"	44.97116
"635336"	876.21446	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+2Na-H"	44.97116
"1135563"	322.05226	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2Na-H"	44.97116
"173182"	300.070318	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+2Na"	45.978436
"613061"	438.610868	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+2Na"	45.978436
"1127392"	161.529768	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2Na"	45.978436
"1414049"	108.022270666667	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H+2Na"	46.985712
"1444624"	324.093846	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H+HCOOH"	47.012746
"233827"	305.10334	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+3H2O+2H"	56.04448
"1522983"	338.14589	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+IsoProp+H"	61.06479
"420482"	308.057288	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+Na+K"	61.952376
"783664"	446.597838	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+Na+K"	61.952376
"1678900"	169.516738	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Na+K"	61.952376
"264327"	618.177968	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+ACN+Na"	64.015768
"1239224"	341.096868	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+ACN+Na"	64.015768
"1727015"	341.120393	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+NH4+HCOOH"	64.039293
"1189088"	115.349584666667	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+3Na"	68.967654
"1664450"	346.075788	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Na+HCOOH"	68.994688
"170218"	631.08124	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+2K-H"	76.91904
"604312"	908.16234	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+2K-H"	76.91904
"1091010"	354.00014	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2K-H"	76.91904
"142727"	316.044258	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"2M+2K"	77.926316
"589576"	454.584808	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"3M+2K"	77.926316
"1075179"	177.503708	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2K"	77.926316
"1106201"	356.014692	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2K+H"	78.933592
"1337123"	356.102307	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+DMSO+H"	79.021207
"1007838"	360.141476	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2ACN+H"	83.060376
"1525597"	361.135108	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+IsoProp+Na+H"	84.054008
"993501"	180.574376	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+2ACN+2H"	84.067652
"1596768"	362.049728	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+K+HCOOH"	84.968628
"1421335"	392.081238	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+H+CF3COOH"	115.000138
"1151624"	201.087651	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+3ACN+2H"	125.094202
"1702268"	409.107785	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+NH4+CF3COOH"	132.026685
"1641199"	414.06318	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+Na+CF3COOH"	136.98208
"1584504"	430.03712	"C19232"	"trans-2-(Dimethylamino)methylimino-5-2-(5-nitro-2- furyl)-vinyl-134-oxadiazole;NN-dimethyl-N-(5-(2-(5-nitro-2-furyl)vinyl)-134-oxadiazol-2-yl)-Formamidine"	"C11H11N5O4"	"277.0811"	"M+K+CF3COOH"	152.95602
"801909"	60.0687	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M"	0
"974914"	41.05031	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H2O-H"	-19.01839
"63110"	39.038524	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-3H"	-3.021828
"514020"	59.061424	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-3H"	-3.021828
"890728"	19.015624	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-3H"	-3.021828
"6022"	59.061424	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H"	-2.014552
"440471"	89.095774	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H"	-2.014552
"818039"	29.027074	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H"	-2.014552
"80097"	119.130124	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-H"	-1.007276
"519282"	179.198824	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-H"	-1.007276
"896718"	59.061424	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H"	-1.007276
"47293"	136.156671	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H+NH4"	16.019271
"500393"	196.225371	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H+NH4"	16.019271
"873576"	76.087971	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H+NH4"	16.019271
"37101"	141.112066	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H+Na"	20.974666
"479942"	201.180766	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H+Na"	20.974666
"862120"	81.043366	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H+Na"	20.974666
"1622907"	81.043366	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na-2H"	20.974666
"98344"	77.049763	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-H+Cl"	33.962126
"541183"	107.084113	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-H+Cl"	33.962126
"932510"	47.015413	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+Cl"	33.962126
"275439"	155.106802	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Cl"	34.969402
"666769"	215.175502	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+Cl"	34.969402
"1277348"	95.038102	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl"	34.969402
"22824"	157.086006	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M-2H+K"	36.948606
"464572"	217.154706	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M-2H+K"	36.948606
"841285"	97.017306	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-2H+K"	36.948606
"1562589"	97.017306	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K-2H"	36.948606
"953749"	105.066894	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+HCOOH"	44.998194
"368684"	165.135601	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+HCOOH-H"	44.998201
"349288"	179.151251	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Hac-H"	59.013851
"1502863"	119.082551	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Hac-H"	59.013851
"962384"	127.048851	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+NaCOOH"	66.980151
"117852"	95.038102	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2Cl"	69.938804
"555228"	125.072452	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2Cl"	69.938804
"1022444"	65.003752	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2Cl"	69.938804
"1241777"	138.987585	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Br"	78.918885
"1304266"	141.043572	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl+HCOOH"	80.974872
"1332305"	163.025529	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl+NaCOOH"	102.956829
"921904"	173.054286	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M-H+CF3COOH"	112.985586
"1296790"	209.030964	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Cl+CF3COOH"	148.962264
"1373856"	25.056024	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H-2H2O"	-35.012676
"1388071"	43.066	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H-H2O"	-17.0027
"289948"	121.144676	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H"	1.007276
"679089"	181.213376	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H"	1.007276
"1353248"	61.075976	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H"	1.007276
"130510"	61.075976	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2H"	2.014552
"570069"	91.110326	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2H"	2.014552
"1041055"	31.041626	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2H"	2.014552
"207863"	41.053076	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+3H"	3.021828
"644621"	61.075976	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+3H"	3.021828
"1162921"	21.030176	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+3H"	3.021828
"435397"	138.171223	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+NH4"	18.033823
"795299"	198.239923	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+NH4"	18.033823
"1689443"	78.102523	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+NH4"	18.033823
"333342"	69.5892495	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H+NH4"	19.041099
"728315"	99.6235995	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H+NH4"	19.041099
"1484323"	39.5548995	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+NH4"	19.041099
"398265"	143.126618	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Na"	22.989218
"759263"	203.195318	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+Na"	22.989218
"1611735"	83.057918	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na"	22.989218
"319586"	72.066947	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H+Na"	23.996494
"715289"	102.101297	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H+Na"	23.996494
"1464367"	42.032597	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+Na"	23.996494
"1055062"	28.35749	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2H+Na"	25.00377
"1260023"	93.102186	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+CH3OH+H"	33.033486
"379327"	159.100558	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+K"	38.963158
"743604"	219.169258	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+K"	38.963158
"1545657"	99.031858	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K"	38.963158
"307205"	80.053917	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+H+K"	39.970434
"696349"	110.088267	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+H+K"	39.970434
"1451264"	50.019567	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+K"	39.970434
"239866"	162.171226	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+ACN+H"	42.033826
"1213668"	102.102526	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+ACN+H"	42.033826
"1194756"	51.554901	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+ACN+2H"	43.041102
"191514"	165.10856	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2Na-H"	44.97116
"634353"	225.17726	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2Na-H"	44.97116
"1131389"	105.03986	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2Na-H"	44.97116
"173331"	83.057918	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2Na"	45.978436
"616702"	113.092268	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2Na"	45.978436
"1125316"	53.023568	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2Na"	45.978436
"1413469"	35.684804	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+2Na"	46.985712
"1444000"	107.081446	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+HCOOH"	47.012746
"231751"	88.09094	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+3H2O+2H"	56.04448
"1522487"	121.13349	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+IsoProp+H"	61.06479
"420593"	91.044888	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+Na+K"	61.952376
"782685"	121.079238	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+Na+K"	61.952376
"1679015"	61.010538	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na+K"	61.952376
"265533"	184.153168	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+ACN+Na"	64.015768
"1239334"	124.084468	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+ACN+Na"	64.015768
"1727125"	124.107993	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+NH4+HCOOH"	64.039293
"1190300"	43.012118	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+3Na"	68.967654
"1664318"	129.063388	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na+HCOOH"	68.994688
"168140"	197.05644	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2K-H"	76.91904
"606609"	257.12514	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2K-H"	76.91904
"1094402"	136.98774	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2K-H"	76.91904
"149033"	99.031858	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"2M+2K"	77.926316
"584585"	129.066208	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"3M+2K"	77.926316
"1074200"	68.997508	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2K"	77.926316
"1103034"	139.002292	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2K+H"	78.933592
"1337230"	139.089907	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+DMSO+H"	79.021207
"1006730"	143.129076	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2ACN+H"	83.060376
"1524735"	144.122708	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+IsoProp+Na+H"	84.054008
"992516"	72.068176	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+2ACN+2H"	84.067652
"1593597"	145.037328	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K+HCOOH"	84.968628
"1421445"	175.068838	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+H+CF3COOH"	115.000138
"1151734"	92.581451	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+3ACN+2H"	125.094202
"1702378"	192.095385	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+NH4+CF3COOH"	132.026685
"1641309"	197.05078	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+Na+CF3COOH"	136.98208
"1584614"	213.02472	"C19233"	"11-Dimethylhydrazine"	"C2H8N2"	"60.0687"	"M+K+CF3COOH"	152.95602
"801858"	292.0484	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M"	0
"976482"	273.03001	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H2O-H"	-19.01839
"65816"	193.691657333333	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-3H"	-3.021828
"514130"	291.041124	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-3H"	-3.021828
"889745"	96.3421906666667	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-3H"	-3.021828
"3945"	291.041124	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H"	-2.014552
"440585"	437.065324	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H"	-2.014552
"819121"	145.016924	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H"	-2.014552
"81300"	583.089524	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-H"	-1.007276
"519639"	875.137924	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-H"	-1.007276
"896832"	291.041124	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H"	-1.007276
"47561"	600.116071	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H+NH4"	16.019271
"499165"	892.164471	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H+NH4"	16.019271
"876602"	308.067671	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H+NH4"	16.019271
"40492"	605.071466	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H+Na"	20.974666
"480053"	897.119866	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H+Na"	20.974666
"860773"	313.023066	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H+Na"	20.974666
"1623019"	313.023066	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na-2H"	20.974666
"98819"	309.029463	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-H+Cl"	33.962126
"540200"	455.053663	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-H+Cl"	33.962126
"931527"	163.005263	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+Cl"	33.962126
"273364"	619.066202	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Cl"	34.969402
"663234"	911.114602	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+Cl"	34.969402
"1279279"	327.017802	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl"	34.969402
"19654"	621.045406	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H+K"	36.948606
"462495"	913.093806	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H+K"	36.948606
"844678"	328.997006	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H+K"	36.948606
"1568167"	328.997006	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K-2H"	36.948606
"952765"	337.046594	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+HCOOH"	44.998194
"369887"	629.095001	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+HCOOH-H"	44.998201
"351584"	643.110651	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Hac-H"	59.013851
"1503704"	351.062251	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Hac-H"	59.013851
"969055"	359.028551	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+NaCOOH"	66.980151
"117964"	327.017802	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2Cl"	69.938804
"553151"	473.042002	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2Cl"	69.938804
"1022676"	180.993602	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2Cl"	69.938804
"1242987"	370.967285	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Br"	78.918885
"1304460"	373.023272	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl+HCOOH"	80.974872
"1331322"	395.005229	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl+NaCOOH"	102.956829
"919098"	405.033986	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+CF3COOH"	112.985586
"1291432"	441.010664	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl+CF3COOH"	148.962264
"1370686"	257.035724	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H-2H2O"	-35.012676
"1384900"	275.0457	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H-H2O"	-17.0027
"288960"	585.104076	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H"	1.007276
"677005"	877.152476	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H"	1.007276
"1352264"	293.055676	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H"	1.007276
"129528"	293.055676	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2H"	2.014552
"567992"	439.079876	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2H"	2.014552
"1041166"	147.031476	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2H"	2.014552
"206880"	195.706209333333	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+3H"	3.021828
"644312"	293.055676	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+3H"	3.021828
"1163231"	98.3567426666667	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+3H"	3.021828
"436600"	602.130623	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+NH4"	18.033823
"794315"	894.179023	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+NH4"	18.033823
"1689553"	310.082223	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+NH4"	18.033823
"336734"	301.5689495	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H+NH4"	19.041099
"731341"	447.5931495	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H+NH4"	19.041099
"1486255"	155.5447495	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+NH4"	19.041099
"396552"	607.086018	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Na"	22.989218
"759372"	899.134418	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+Na"	22.989218
"1611845"	315.037618	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na"	22.989218
"322976"	304.046647	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H+Na"	23.996494
"714306"	450.070847	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H+Na"	23.996494
"1467030"	158.022447	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+Na"	23.996494
"1059181"	105.684056666667	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2H+Na"	25.00377
"1267424"	325.081886	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+CH3OH+H"	33.033486
"381625"	623.059958	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+K"	38.963158
"744807"	915.108358	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+K"	38.963158
"1546860"	331.011558	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K"	38.963158
"311688"	312.033617	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H+K"	39.970434
"697554"	458.057817	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H+K"	39.970434
"1452468"	166.009417	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+K"	39.970434
"239976"	626.130626	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+ACN+H"	42.033826
"1212684"	334.082226	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+ACN+H"	42.033826
"1194743"	167.544751	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+ACN+2H"	43.041102
"195998"	629.06796	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2Na-H"	44.97116
"632276"	921.11636	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2Na-H"	44.97116
"1135784"	337.01956	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2Na-H"	44.97116
"175065"	315.037618	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2Na"	45.978436
"616812"	461.061818	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2Na"	45.978436
"1125426"	169.013418	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2Na"	45.978436
"1414027"	113.011370666667	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+2Na"	46.985712
"1445089"	339.061146	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+HCOOH"	47.012746
"232954"	320.07064	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+3H2O+2H"	56.04448
"1518830"	353.11319	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+H"	61.06479
"423138"	323.024588	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Na+K"	61.952376
"783523"	469.048788	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+Na+K"	61.952376
"1679004"	177.000388	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na+K"	61.952376
"266010"	648.112568	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+ACN+Na"	64.015768
"1239444"	356.064168	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+ACN+Na"	64.015768
"1727235"	356.087693	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+NH4+HCOOH"	64.039293
"1191497"	120.338684666667	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+3Na"	68.967654
"1664549"	361.043088	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na+HCOOH"	68.994688
"168250"	661.01584	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2K-H"	76.91904
"606719"	953.06424	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2K-H"	76.91904
"1089044"	368.96744	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2K-H"	76.91904
"151329"	331.011558	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2K"	77.926316
"588705"	477.035758	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2K"	77.926316
"1071030"	184.987358	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2K"	77.926316
"1103146"	370.981992	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2K+H"	78.933592
"1336731"	371.069607	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+DMSO+H"	79.021207
"1009149"	375.108776	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2ACN+H"	83.060376
"1525208"	376.102408	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+Na+H"	84.054008
"993719"	188.058026	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2ACN+2H"	84.067652
"1596987"	377.017028	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K+HCOOH"	84.968628
"1429090"	407.048538	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+CF3COOH"	115.000138
"1158405"	208.571301	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+3ACN+2H"	125.094202
"1711845"	424.075085	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+NH4+CF3COOH"	132.026685
"1649764"	429.03048	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na+CF3COOH"	136.98208
"1584724"	445.00442	"C19234"	"37-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K+CF3COOH"	152.95602
"803061"	292.0484	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M"	0
"976592"	273.03001	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H2O-H"	-19.01839
"65926"	193.691657333333	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-3H"	-3.021828
"513147"	291.041124	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-3H"	-3.021828
"883293"	96.3421906666667	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-3H"	-3.021828
"1867"	291.041124	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H"	-2.014552
"442882"	437.065324	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H"	-2.014552
"817888"	145.016924	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H"	-2.014552
"81410"	583.089524	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-H"	-1.007276
"521330"	875.137924	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-H"	-1.007276
"898158"	291.041124	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H"	-1.007276
"47797"	600.116071	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H+NH4"	16.019271
"497086"	892.164471	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H+NH4"	16.019271
"867233"	308.067671	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H+NH4"	16.019271
"32822"	605.071466	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H+Na"	20.974666
"475786"	897.119866	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H+Na"	20.974666
"860883"	313.023066	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H+Na"	20.974666
"1625315"	313.023066	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na-2H"	20.974666
"98929"	309.029463	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-H+Cl"	33.962126
"541403"	455.053663	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-H+Cl"	33.962126
"931638"	163.005263	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+Cl"	33.962126
"273474"	619.066202	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Cl"	34.969402
"664437"	911.114602	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+Cl"	34.969402
"1277568"	327.017802	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl"	34.969402
"19764"	621.045406	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M-2H+K"	36.948606
"460418"	913.093806	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M-2H+K"	36.948606
"839318"	328.997006	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-2H+K"	36.948606
"1562806"	328.997006	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K-2H"	36.948606
"947407"	337.046594	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+HCOOH"	44.998194
"364892"	629.095001	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+HCOOH-H"	44.998201
"349506"	643.110651	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Hac-H"	59.013851
"1498340"	351.062251	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Hac-H"	59.013851
"962605"	359.028551	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+NaCOOH"	66.980151
"112968"	327.017802	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2Cl"	69.938804
"553261"	473.042002	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2Cl"	69.938804
"1022541"	180.993602	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2Cl"	69.938804
"1242123"	370.967285	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Br"	78.918885
"1304606"	373.023272	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl+HCOOH"	80.974872
"1331432"	395.005229	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl+NaCOOH"	102.956829
"919208"	405.033986	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M-H+CF3COOH"	112.985586
"1291542"	441.010664	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Cl+CF3COOH"	148.962264
"1370796"	257.035724	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H-2H2O"	-35.012676
"1382945"	275.0457	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H-H2O"	-17.0027
"284697"	585.104076	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H"	1.007276
"676025"	877.152476	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H"	1.007276
"1352374"	293.055676	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H"	1.007276
"130731"	293.055676	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2H"	2.014552
"565914"	439.079876	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2H"	2.014552
"1039090"	147.031476	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2H"	2.014552
"205168"	195.706209333333	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+3H"	3.021828
"644320"	293.055676	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+3H"	3.021828
"1162850"	98.3567426666667	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+3H"	3.021828
"435617"	602.130623	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+NH4"	18.033823
"794425"	894.179023	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+NH4"	18.033823
"1688570"	310.082223	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+NH4"	18.033823
"337937"	301.5689495	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H+NH4"	19.041099
"731451"	447.5931495	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H+NH4"	19.041099
"1486365"	155.5447495	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+NH4"	19.041099
"395933"	607.086018	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Na"	22.989218
"756928"	899.134418	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+Na"	22.989218
"1604663"	315.037618	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na"	22.989218
"319804"	304.046647	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H+Na"	23.996494
"717694"	450.070847	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H+Na"	23.996494
"1467140"	158.022447	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+Na"	23.996494
"1058198"	105.684056666667	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2H+Na"	25.00377
"1265346"	325.081886	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+CH3OH+H"	33.033486
"381733"	623.059958	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+K"	38.963158
"750382"	915.108358	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+K"	38.963158
"1549156"	331.011558	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K"	38.963158
"310704"	312.033617	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+H+K"	39.970434
"697663"	458.057817	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+H+K"	39.970434
"1447474"	166.009417	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+K"	39.970434
"237170"	626.130626	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+ACN+H"	42.033826
"1210721"	334.082226	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+ACN+H"	42.033826
"1196311"	167.544751	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+ACN+2H"	43.041102
"191003"	629.06796	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2Na-H"	44.97116
"630563"	921.11636	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2Na-H"	44.97116
"1135894"	337.01956	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2Na-H"	44.97116
"174445"	315.037618	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2Na"	45.978436
"619108"	461.061818	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2Na"	45.978436
"1119335"	169.013418	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2Na"	45.978436
"1413691"	113.011370666667	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+2Na"	46.985712
"1444469"	339.061146	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+HCOOH"	47.012746
"233064"	320.07064	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+3H2O+2H"	56.04448
"1520033"	353.11319	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+H"	61.06479
"423004"	323.024588	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+Na+K"	61.952376
"783875"	469.048788	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+Na+K"	61.952376
"1679722"	177.000388	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na+K"	61.952376
"266849"	648.112568	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+ACN+Na"	64.015768
"1240162"	356.064168	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+ACN+Na"	64.015768
"1727710"	356.087693	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+NH4+HCOOH"	64.039293
"1192700"	120.338684666667	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+3Na"	68.967654
"1664416"	361.043088	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na+HCOOH"	68.994688
"168360"	661.01584	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2K-H"	76.91904
"605736"	953.06424	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2K-H"	76.91904
"1092434"	368.96744	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2K-H"	76.91904
"145971"	331.011558	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"2M+2K"	77.926316
"586628"	477.035758	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"3M+2K"	77.926316
"1075513"	184.987358	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2K"	77.926316
"1103254"	370.981992	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2K+H"	78.933592
"1339634"	371.069607	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+DMSO+H"	79.021207
"1006950"	375.108776	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2ACN+H"	83.060376
"1526289"	376.102408	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+Na+H"	84.054008
"993829"	188.058026	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+2ACN+2H"	84.067652
"1597097"	377.017028	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K+HCOOH"	84.968628
"1427135"	407.048538	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+H+CF3COOH"	115.000138
"1156329"	208.571301	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+3ACN+2H"	125.094202
"1710254"	424.075085	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+NH4+CF3COOH"	132.026685
"1648091"	429.03048	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+Na+CF3COOH"	136.98208
"1584834"	445.00442	"C19235"	"39-Dinitrofluoranthene"	"C16H8N2O4"	"292.0484"	"M+K+CF3COOH"	152.95602
"811919"	268.096	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M"	0
"983266"	249.07761	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-H2O-H"	-19.01839
"69320"	177.723390666667	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M-3H"	-3.021828
"514352"	267.088724	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M-3H"	-3.021828
"891060"	88.3580573333333	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-3H"	-3.021828
"7445"	267.088724	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M-2H"	-2.014552
"442994"	401.136724	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M-2H"	-2.014552
"818244"	133.040724	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-2H"	-2.014552
"84800"	535.184724	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M-H"	-1.007276
"522171"	803.280724	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M-H"	-1.007276
"902159"	267.088724	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-H"	-1.007276
"48514"	552.211271	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M-2H+NH4"	16.019271
"498656"	820.307271	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M-2H+NH4"	16.019271
"876091"	284.115271	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-2H+NH4"	16.019271
"37431"	557.166666	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M-2H+Na"	20.974666
"481364"	825.262666	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M-2H+Na"	20.974666
"860993"	289.070666	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-2H+Na"	20.974666
"1630890"	289.070666	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Na-2H"	20.974666
"104142"	285.077063	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M-H+Cl"	33.962126
"544431"	419.125063	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M-H+Cl"	33.962126
"939768"	151.029063	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-H+Cl"	33.962126
"275772"	571.161402	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+Cl"	34.969402
"669291"	839.257402	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+Cl"	34.969402
"1278409"	303.065402	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Cl"	34.969402
"20967"	573.140606	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M-2H+K"	36.948606
"460528"	841.236606	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M-2H+K"	36.948606
"844899"	305.044606	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-2H+K"	36.948606
"1564011"	305.044606	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+K-2H"	36.948606
"954078"	313.094194	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-H+HCOOH"	44.998194
"365733"	581.190201	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+HCOOH-H"	44.998201
"349251"	595.205851	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+Hac-H"	59.013851
"1501733"	327.109851	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Hac-H"	59.013851
"962715"	335.076151	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-H+NaCOOH"	66.980151
"119277"	303.065402	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+2Cl"	69.938804
"553372"	437.113402	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+2Cl"	69.938804
"1022535"	169.017402	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2Cl"	69.938804
"1247219"	347.014885	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Br"	78.918885
"1306385"	349.070872	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Cl+HCOOH"	80.974872
"1324976"	371.052829	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Cl+NaCOOH"	102.956829
"919319"	381.081586	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M-H+CF3COOH"	112.985586
"1293839"	417.058264	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Cl+CF3COOH"	148.962264
"1370906"	233.083324	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H-2H2O"	-35.012676
"1386214"	251.0933	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H-H2O"	-17.0027
"284807"	537.199276	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+H"	1.007276
"678322"	805.295276	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+H"	1.007276
"1356858"	269.103276	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H"	1.007276
"130841"	269.103276	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+2H"	2.014552
"567603"	403.151276	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+2H"	2.014552
"1040295"	135.055276	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2H"	2.014552
"205156"	179.737942666667	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+3H"	3.021828
"644957"	269.103276	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+3H"	3.021828
"1162876"	90.3726093333333	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+3H"	3.021828
"434633"	554.225823	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+NH4"	18.033823
"792347"	822.321823	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+NH4"	18.033823
"1692689"	286.129823	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+NH4"	18.033823
"339143"	277.6165495	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+H+NH4"	19.041099
"733751"	411.6645495	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+H+NH4"	19.041099
"1487570"	143.5685495	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H+NH4"	19.041099
"404065"	559.181218	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+Na"	22.989218
"759591"	827.277218	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+Na"	22.989218
"1612064"	291.085218	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Na"	22.989218
"324288"	280.094247	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+H+Na"	23.996494
"711242"	414.142247	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+H+Na"	23.996494
"1471623"	146.046247	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H+Na"	23.996494
"1057216"	97.6999233333333	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2H+Na"	25.00377
"1261081"	301.129486	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+CH3OH+H"	33.033486
"385123"	575.155158	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+K"	38.963158
"749398"	843.251158	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+K"	38.963158
"1547078"	307.059158	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+K"	38.963158
"306441"	288.081217	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+H+K"	39.970434
"693033"	422.129217	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+H+K"	39.970434
"1447219"	154.033217	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H+K"	39.970434
"236914"	578.225826	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+ACN+H"	42.033826
"1210230"	310.129826	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+ACN+H"	42.033826
"1195934"	155.568551	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+ACN+2H"	43.041102
"188923"	581.16316	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+2Na-H"	44.97116
"628539"	849.25916	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+2Na-H"	44.97116
"1134545"	313.06716	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2Na-H"	44.97116
"173413"	291.085218	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+2Na"	45.978436
"617395"	425.133218	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+2Na"	45.978436
"1115912"	157.037218	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2Na"	45.978436
"1413559"	105.027237333333	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H+2Na"	46.985712
"1445188"	315.108746	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H+HCOOH"	47.012746
"232447"	296.11824	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+3H2O+2H"	56.04448
"1521239"	329.16079	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+IsoProp+H"	61.06479
"423113"	299.072188	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+Na+K"	61.952376
"785210"	433.120188	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+Na+K"	61.952376
"1679710"	165.024188	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Na+K"	61.952376
"265501"	600.207768	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+ACN+Na"	64.015768
"1239668"	332.111768	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+ACN+Na"	64.015768
"1727341"	332.135293	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+NH4+HCOOH"	64.039293
"1192330"	112.354551333333	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+3Na"	68.967654
"1663438"	337.090688	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Na+HCOOH"	68.994688
"170657"	613.11104	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+2K-H"	76.91904
"604750"	881.20704	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+2K-H"	76.91904
"1093638"	345.01504	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2K-H"	76.91904
"151549"	307.059158	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"2M+2K"	77.926316
"593296"	441.107158	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"3M+2K"	77.926316
"1077809"	173.011158	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2K"	77.926316
"1108832"	347.029592	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2K+H"	78.933592
"1337922"	347.117207	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+DMSO+H"	79.021207
"1007546"	351.156376	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2ACN+H"	83.060376
"1525183"	352.150008	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+IsoProp+Na+H"	84.054008
"991511"	176.081826	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+2ACN+2H"	84.067652
"1598299"	353.064628	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+K+HCOOH"	84.968628
"1429311"	383.096138	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+H+CF3COOH"	115.000138
"1157532"	196.595101	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+3ACN+2H"	125.094202
"1710364"	400.122685	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+NH4+CF3COOH"	132.026685
"1648201"	405.07808	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+Na+CF3COOH"	136.98208
"1584944"	421.05202	"C19236"	"Disperse Blue 1;1458-Tetraamino-910-anthracenedione"	"C14H12N4O2"	"268.096"	"M+K+CF3COOH"	152.95602
"812029"	72.0575	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M"	0
"980092"	53.03911	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-H2O-H"	-19.01839
"66149"	47.0310573333333	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M-3H"	-3.021828
"515921"	71.050224	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M-3H"	-3.021828
"888981"	23.0118906666667	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-3H"	-3.021828
"3181"	71.050224	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M-2H"	-2.014552
"443103"	107.078974	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M-2H"	-2.014552
"822732"	35.021474	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-2H"	-2.014552
"81630"	143.107724	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M-H"	-1.007276
"520823"	215.165224	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M-H"	-1.007276
"900082"	71.050224	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-H"	-1.007276
"49355"	160.134271	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M-2H+NH4"	16.019271
"499495"	232.191771	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M-2H+NH4"	16.019271
"875838"	88.076771	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-2H+NH4"	16.019271
"39728"	165.089666	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M-2H+Na"	20.974666
"480381"	237.147166	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M-2H+Na"	20.974666
"861832"	93.032166	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-2H+Na"	20.974666
"1629907"	93.032166	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Na-2H"	20.974666
"103160"	89.038563	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M-H+Cl"	33.962126
"546000"	125.067313	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M-H+Cl"	33.962126
"939515"	53.009813	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-H+Cl"	33.962126
"278799"	179.084402	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+Cl"	34.969402
"666121"	251.141902	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+Cl"	34.969402
"1275607"	107.026902	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Cl"	34.969402
"19987"	181.063606	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M-2H+K"	36.948606
"458815"	253.121106	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M-2H+K"	36.948606
"840631"	109.006106	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-2H+K"	36.948606
"1558650"	109.006106	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+K-2H"	36.948606
"945073"	117.055694	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-H+HCOOH"	44.998194
"365836"	189.113201	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+HCOOH-H"	44.998201
"351914"	203.128851	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+Hac-H"	59.013851
"1501843"	131.071351	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Hac-H"	59.013851
"962822"	139.037651	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-H+NaCOOH"	66.980151
"115007"	107.026902	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+2Cl"	69.938804
"555661"	143.055652	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+2Cl"	69.938804
"1022524"	70.998152	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2Cl"	69.938804
"1244413"	150.976385	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Br"	78.918885
"1307589"	153.032372	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Cl+HCOOH"	80.974872
"1325086"	175.014329	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Cl+NaCOOH"	102.956829
"922711"	185.043086	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M-H+CF3COOH"	112.985586
"1300511"	221.019764	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Cl+CF3COOH"	148.962264
"1376484"	37.044824	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H-2H2O"	-35.012676
"1385232"	55.0548	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H-H2O"	-17.0027
"285281"	145.122276	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+H"	1.007276
"677703"	217.179776	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+H"	1.007276
"1355875"	73.064776	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H"	1.007276
"130222"	73.064776	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+2H"	2.014552
"566012"	109.093526	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+2H"	2.014552
"1040405"	37.036026	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2H"	2.014552
"205388"	49.0456093333333	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+3H"	3.021828
"644703"	73.064776	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+3H"	3.021828
"1162945"	25.0264426666667	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+3H"	3.021828
"433649"	162.148823	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+NH4"	18.033823
"794644"	234.206323	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+NH4"	18.033823
"1689881"	90.091323	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+NH4"	18.033823
"339252"	81.5780495	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+H+NH4"	19.041099
"729488"	117.6067995	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+H+NH4"	19.041099
"1484399"	45.5492995	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H+NH4"	19.041099
"403082"	167.104218	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+Na"	22.989218
"757514"	239.161718	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+Na"	22.989218
"1608894"	95.046718	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Na"	22.989218
"321118"	84.055747	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+H+Na"	23.996494
"711352"	120.084497	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+H+Na"	23.996494
"1472827"	48.026997	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H+Na"	23.996494
"1056233"	32.3537566666667	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2H+Na"	25.00377
"1261191"	105.090986	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+CH3OH+H"	33.033486
"384141"	183.078158	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+K"	38.963158
"747322"	255.135658	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+K"	38.963158
"1548281"	111.020658	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+K"	38.963158
"307643"	92.042717	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+H+K"	39.970434
"691681"	128.071467	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+H+K"	39.970434
"1447329"	56.013967	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H+K"	39.970434
"237021"	186.148826	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+ACN+H"	42.033826
"1211190"	114.091326	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+ACN+H"	42.033826
"1196166"	57.549301	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+ACN+2H"	43.041102
"189398"	189.08616	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+2Na-H"	44.97116
"629201"	261.14366	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+2Na-H"	44.97116
"1133561"	117.02866	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2Na-H"	44.97116
"176486"	95.046718	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+2Na"	45.978436
"617869"	131.075468	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+2Na"	45.978436
"1116145"	59.017968	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2Na"	45.978436
"1414001"	39.6810706666667	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H+2Na"	46.985712
"1445483"	119.070246	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H+HCOOH"	47.012746
"233650"	100.07974	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+3H2O+2H"	56.04448
"1523991"	133.12229	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+IsoProp+H"	61.06479
"424240"	103.033688	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+Na+K"	61.952376
"785638"	139.062438	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+Na+K"	61.952376
"1681147"	67.004938	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Na+K"	61.952376
"265612"	208.130768	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+ACN+Na"	64.015768
"1240752"	136.073268	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+ACN+Na"	64.015768
"1727207"	136.096793	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+NH4+HCOOH"	64.039293
"1193857"	47.0083846666667	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+3Na"	68.967654
"1664276"	141.052188	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Na+HCOOH"	68.994688
"170768"	221.03404	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+2K-H"	76.91904
"608141"	293.09154	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+2K-H"	76.91904
"1091561"	148.97654	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2K-H"	76.91904
"153846"	111.020658	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"2M+2K"	77.926316
"595593"	147.049408	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"3M+2K"	77.926316
"1077918"	74.991908	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2K"	77.926316
"1108941"	150.991092	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2K+H"	78.933592
"1336819"	151.078707	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+DMSO+H"	79.021207
"1007172"	155.117876	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2ACN+H"	83.060376
"1525422"	156.111508	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+IsoProp+Na+H"	84.054008
"992229"	78.062576	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+2ACN+2H"	84.067652
"1597316"	157.026128	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+K+HCOOH"	84.968628
"1427355"	187.057638	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+H+CF3COOH"	115.000138
"1159829"	98.575851	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+3ACN+2H"	125.094202
"1712659"	204.084185	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+NH4+CF3COOH"	132.026685
"1649405"	209.03958	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+Na+CF3COOH"	136.98208
"1585054"	225.01352	"C19237"	"12-Epoxybutane;1-Butene oxide"	"C4H8O"	"72.0575"	"M+K+CF3COOH"	152.95602
"805578"	100.0524	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M"	0
"978016"	81.03401	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-H2O-H"	-19.01839
"66257"	65.694324	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M-3H"	-3.021828
"514937"	99.045124	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M-3H"	-3.021828
"887998"	32.343524	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-3H"	-3.021828
"5478"	99.045124	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M-2H"	-2.014552
"445038"	149.071324	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M-2H"	-2.014552
"822842"	49.018924	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-2H"	-2.014552
"81740"	199.097524	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M-H"	-1.007276
"519838"	299.149924	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M-H"	-1.007276
"898125"	99.045124	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-H"	-1.007276
"48371"	216.124071	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M-2H+NH4"	16.019271
"501064"	316.176471	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M-2H+NH4"	16.019271
"874491"	116.071671	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-2H+NH4"	16.019271
"40932"	221.079466	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M-2H+Na"	20.974666
"481221"	321.131866	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M-2H+Na"	20.974666
"861942"	121.027066	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-2H+Na"	20.974666
"1632571"	121.027066	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Na-2H"	20.974666
"101084"	117.033463	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M-H+Cl"	33.962126
"545016"	167.059663	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M-H+Cl"	33.962126
"938530"	67.007263	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-H+Cl"	33.962126
"275993"	235.074202	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+Cl"	34.969402
"665137"	335.126602	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+Cl"	34.969402
"1276810"	135.021802	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Cl"	34.969402
"20097"	237.053406	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M-2H+K"	36.948606
"457832"	337.105806	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M-2H+K"	36.948606
"840741"	137.001006	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-2H+K"	36.948606
"1560947"	137.001006	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+K-2H"	36.948606
"945181"	145.050594	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-H+HCOOH"	44.998194
"364854"	245.103001	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+HCOOH-H"	44.998201
"350931"	259.118651	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+Hac-H"	59.013851
"1503046"	159.066251	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Hac-H"	59.013851
"962932"	167.032551	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-H+NaCOOH"	66.980151
"112931"	135.021802	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+2Cl"	69.938804
"554679"	185.048002	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+2Cl"	69.938804
"1022392"	84.995602	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2Cl"	69.938804
"1243065"	178.971285	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Br"	78.918885
"1309885"	181.027272	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Cl+HCOOH"	80.974872
"1325196"	203.009229	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Cl+NaCOOH"	102.956829
"923914"	213.037986	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M-H+CF3COOH"	112.985586
"1299528"	249.014664	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Cl+CF3COOH"	148.962264
"1376594"	65.039724	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H-2H2O"	-35.012676
"1384249"	83.0497	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H-H2O"	-17.0027
"285027"	201.112076	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+H"	1.007276
"677449"	301.164476	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+H"	1.007276
"1352704"	101.059676	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H"	1.007276
"128875"	101.059676	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+2H"	2.014552
"566245"	151.085876	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+2H"	2.014552
"1037595"	51.033476	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2H"	2.014552
"204277"	67.708876	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+3H"	3.021828
"644444"	101.059676	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+3H"	3.021828
"1163056"	34.358076	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+3H"	3.021828
"433758"	218.138623	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+NH4"	18.033823
"795847"	318.191023	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+NH4"	18.033823
"1691084"	118.086223	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+NH4"	18.033823
"340455"	109.5729495	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+H+NH4"	19.041099
"728505"	159.5991495	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+H+NH4"	19.041099
"1484509"	59.5467495	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H+NH4"	19.041099
"403191"	223.094018	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+Na"	22.989218
"756531"	323.146418	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+Na"	22.989218
"1609004"	123.041618	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Na"	22.989218
"321228"	112.050647	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+H+Na"	23.996494
"711463"	162.076847	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+H+Na"	23.996494
"1470750"	62.024447	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H+Na"	23.996494
"1058530"	41.68539	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2H+Na"	25.00377
"1266768"	133.085886	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+CH3OH+H"	33.033486
"387531"	239.067958	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+K"	38.963158
"748526"	339.120358	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+K"	38.963158
"1548391"	139.015558	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+K"	38.963158
"308847"	120.037617	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+H+K"	39.970434
"691584"	170.063817	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+H+K"	39.970434
"1446101"	70.011417	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H+K"	39.970434
"240414"	242.138626	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+ACN+H"	42.033826
"1212031"	142.086226	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+ACN+H"	42.033826
"1197004"	71.546751	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+ACN+2H"	43.041102
"189387"	245.07596	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+2Na-H"	44.97116
"628783"	345.12836	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+2Na-H"	44.97116
"1133307"	145.02356	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2Na-H"	44.97116
"174409"	123.041618	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+2Na"	45.978436
"615428"	173.067818	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+2Na"	45.978436
"1116013"	73.015418	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2Na"	45.978436
"1414157"	49.012704	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H+2Na"	46.985712
"1445361"	147.065146	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H+HCOOH"	47.012746
"233760"	128.07464	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+3H2O+2H"	56.04448
"1521459"	161.11719	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+IsoProp+H"	61.06479
"422967"	131.028588	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+Na+K"	61.952376
"783964"	181.054788	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+Na+K"	61.952376
"1681276"	81.002388	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Na+K"	61.952376
"264629"	264.120568	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+ACN+Na"	64.015768
"1238795"	164.068168	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+ACN+Na"	64.015768
"1726587"	164.091693	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+NH4+HCOOH"	64.039293
"1191941"	56.340018	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+3Na"	68.967654
"1663294"	169.047088	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Na+HCOOH"	68.994688
"170515"	277.02384	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+2K-H"	76.91904
"607161"	377.07624	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+2K-H"	76.91904
"1092765"	176.97144	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2K-H"	76.91904
"149582"	139.015558	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"2M+2K"	77.926316
"593516"	189.041758	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"3M+2K"	77.926316
"1074748"	88.989358	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2K"	77.926316
"1103586"	178.985992	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2K+H"	78.933592
"1336077"	179.073607	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+DMSO+H"	79.021207
"1006554"	183.112776	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2ACN+H"	83.060376
"1524802"	184.106408	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+IsoProp+Na+H"	84.054008
"990152"	92.060026	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+2ACN+2H"	84.067652
"1596332"	185.021028	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+K+HCOOH"	84.968628
"1427465"	215.052538	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+H+CF3COOH"	115.000138
"1157752"	112.573301	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+3ACN+2H"	125.094202
"1706209"	232.079085	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+NH4+CF3COOH"	132.026685
"1648422"	237.03448	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+Na+CF3COOH"	136.98208
"1585164"	253.00842	"C19238"	"Ethyl acrylate"	"C5H8O2"	"100.0524"	"M+K+CF3COOH"	152.95602
"808968"	124.0194	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M"	0
"981406"	105.00101	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-H2O-H"	-19.01839
"65275"	81.672324	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M-3H"	-3.021828
"516504"	123.012124	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M-3H"	-3.021828
"893576"	40.332524	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-3H"	-3.021828
"12150"	123.012124	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M-2H"	-2.014552
"445148"	185.021824	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M-2H"	-2.014552
"822952"	61.002424	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-2H"	-2.014552
"85130"	247.031524	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M-H"	-1.007276
"520435"	371.050924	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M-H"	-1.007276
"899207"	123.012124	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-H"	-1.007276
"48603"	264.058071	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M-2H+NH4"	16.019271
"502785"	388.077471	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M-2H+NH4"	16.019271
"876788"	140.038671	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-2H+NH4"	16.019271
"45785"	269.013466	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M-2H+Na"	20.974666
"483518"	393.032866	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M-2H+Na"	20.974666
"863398"	144.994066	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-2H+Na"	20.974666
"1634105"	144.994066	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Na-2H"	20.974666
"103381"	141.000463	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M-H+Cl"	33.962126
"545127"	203.010163	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M-H+Cl"	33.962126
"942410"	78.990763	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-H+Cl"	33.962126
"282633"	283.008202	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+Cl"	34.969402
"673872"	407.027602	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+Cl"	34.969402
"1279470"	158.988802	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Cl"	34.969402
"25675"	284.987406	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M-2H+K"	36.948606
"459401"	409.006806	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M-2H+K"	36.948606
"835743"	160.968006	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-2H+K"	36.948606
"1563245"	160.968006	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+K-2H"	36.948606
"947847"	169.017594	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-H+HCOOH"	44.998194
"364968"	293.037001	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+HCOOH-H"	44.998201
"358333"	307.052651	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+Hac-H"	59.013851
"1505709"	183.033251	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Hac-H"	59.013851
"971791"	190.999551	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-H+NaCOOH"	66.980151
"117417"	158.988802	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+2Cl"	69.938804
"556976"	220.998502	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+2Cl"	69.938804
"1023596"	96.979102	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2Cl"	69.938804
"1250829"	202.938285	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Br"	78.918885
"1316557"	204.994272	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Cl+HCOOH"	80.974872
"1330773"	226.976229	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Cl+NaCOOH"	102.956829
"925849"	237.004986	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M-H+CF3COOH"	112.985586
"1301826"	272.981664	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Cl+CF3COOH"	148.962264
"1376704"	89.006724	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H-2H2O"	-35.012676
"1386546"	107.0167	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H-H2O"	-17.0027
"284044"	249.046076	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+H"	1.007276
"680839"	373.065476	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+H"	1.007276
"1354271"	125.026676	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H"	1.007276
"132266"	125.026676	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+2H"	2.014552
"570731"	187.036376	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+2H"	2.014552
"1042809"	63.016976	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2H"	2.014552
"209619"	83.686876	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+3H"	3.021828
"648084"	125.026676	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+3H"	3.021828
"1166576"	42.347076	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+3H"	3.021828
"439216"	266.072623	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+NH4"	18.033823
"798145"	390.092023	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+NH4"	18.033823
"1693382"	142.053223	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+NH4"	18.033823
"340566"	133.5399495	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+H+NH4"	19.041099
"731895"	195.5496495	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+H+NH4"	19.041099
"1485713"	71.5302495	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H+NH4"	19.041099
"401112"	271.028018	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+Na"	22.989218
"758826"	395.047418	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+Na"	22.989218
"1611301"	147.008618	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Na"	22.989218
"325348"	136.017647	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+H+Na"	23.996494
"717769"	198.027347	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+H+Na"	23.996494
"1471953"	74.007947	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H+Na"	23.996494
"1067024"	49.67439	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2H+Na"	25.00377
"1269066"	157.052886	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+CH3OH+H"	33.033486
"390921"	287.001958	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+K"	38.963158
"749731"	411.021358	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+K"	38.963158
"1548504"	162.982558	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+K"	38.963158
"307868"	144.004617	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+H+K"	39.970434
"698105"	206.014317	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+H+K"	39.970434
"1449737"	81.994917	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H+K"	39.970434
"237244"	290.072626	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+ACN+H"	42.033826
"1212866"	166.053226	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+ACN+H"	42.033826
"1197115"	83.530251	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+ACN+2H"	43.041102
"196547"	293.00996	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+2Na-H"	44.97116
"636108"	417.02936	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+2Na-H"	44.97116
"1133416"	168.99056	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2Na-H"	44.97116
"174883"	147.008618	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+2Na"	45.978436
"613304"	209.018318	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+2Na"	45.978436
"1116731"	84.998918	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2Na"	45.978436
"1413767"	57.001704	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H+2Na"	46.985712
"1445032"	171.032146	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H+HCOOH"	47.012746
"232780"	152.04164	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+3H2O+2H"	56.04448
"1520478"	185.08419	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+IsoProp+H"	61.06479
"421258"	154.995588	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+Na+K"	61.952376
"782617"	217.005288	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+Na+K"	61.952376
"1679680"	92.985888	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Na+K"	61.952376
"263646"	312.054568	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+ACN+Na"	64.015768
"1236719"	188.035168	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+ACN+Na"	64.015768
"1724150"	188.058693	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+NH4+HCOOH"	64.039293
"1189868"	64.329018	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+3Na"	68.967654
"1659032"	193.014088	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Na+HCOOH"	68.994688
"168806"	324.95784	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+2K-H"	76.91904
"606908"	448.97724	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+2K-H"	76.91904
"1091781"	200.93844	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2K-H"	76.91904
"151515"	162.982558	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"2M+2K"	77.926316
"587066"	224.992258	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"3M+2K"	77.926316
"1071578"	100.972858	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2K"	77.926316
"1106976"	202.952992	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2K+H"	78.933592
"1345185"	203.040607	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+DMSO+H"	79.021207
"1008610"	207.079776	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2ACN+H"	83.060376
"1527829"	208.073408	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+IsoProp+Na+H"	84.054008
"990424"	104.043526	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+2ACN+2H"	84.067652
"1592067"	208.988028	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+K+HCOOH"	84.968628
"1426118"	239.019538	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+H+CF3COOH"	115.000138
"1158956"	124.556801	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+3ACN+2H"	125.094202
"1706320"	256.046085	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+NH4+CF3COOH"	132.026685
"1649625"	261.00148	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+Na+CF3COOH"	136.98208
"1585274"	276.97542	"C19239"	"Ethyl methanesulfonate"	"C3H8O3S"	"124.0194"	"M+K+CF3COOH"	152.95602
"803246"	254.011	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M"	0
"976049"	234.99261	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-H2O-H"	-19.01839
"65749"	168.333390666667	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M-3H"	-3.021828
"513697"	253.003724	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M-3H"	-3.021828
"887124"	83.6630573333333	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-3H"	-3.021828
"10073"	253.003724	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M-2H"	-2.014552
"442342"	380.009224	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M-2H"	-2.014552
"823062"	125.998224	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-2H"	-2.014552
"79772"	507.014724	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M-H"	-1.007276
"518918"	761.025724	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M-H"	-1.007276
"897131"	253.003724	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-H"	-1.007276
"47737"	524.041271	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M-2H+NH4"	16.019271
"502018"	778.052271	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M-2H+NH4"	16.019271
"878480"	270.030271	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-2H+NH4"	16.019271
"46585"	528.996666	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M-2H+Na"	20.974666
"485816"	783.007666	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M-2H+Na"	20.974666
"863264"	274.985666	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-2H+Na"	20.974666
"1633645"	274.985666	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Na-2H"	20.974666
"108109"	270.992063	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M-H+Cl"	33.962126
"547303"	397.997563	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M-H+Cl"	33.962126
"941186"	143.986563	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-H+Cl"	33.962126
"281690"	542.991402	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+Cl"	34.969402
"674716"	797.002402	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+Cl"	34.969402
"1279580"	288.980402	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Cl"	34.969402
"23599"	544.970606	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M-2H+K"	36.948606
"460239"	798.981606	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M-2H+K"	36.948606
"838039"	290.959606	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-2H+K"	36.948606
"1558976"	290.959606	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+K-2H"	36.948606
"947952"	299.009194	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-H+HCOOH"	44.998194
"369453"	553.020201	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+HCOOH-H"	44.998201
"358807"	567.035851	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+Hac-H"	59.013851
"1506183"	313.024851	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Hac-H"	59.013851
"971901"	320.991151	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-H+NaCOOH"	66.980151
"120443"	288.980402	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+2Cl"	69.938804
"558181"	415.985902	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+2Cl"	69.938804
"1023706"	161.974902	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2Cl"	69.938804
"1250939"	332.929885	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Br"	78.918885
"1316667"	334.985872	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Cl+HCOOH"	80.974872
"1330883"	356.967829	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Cl+NaCOOH"	102.956829
"924138"	366.996586	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M-H+CF3COOH"	112.985586
"1300842"	402.973264	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Cl+CF3COOH"	148.962264
"1376814"	218.998324	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H-2H2O"	-35.012676
"1386656"	237.0083	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H-H2O"	-17.0027
"284273"	509.029276	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+H"	1.007276
"680949"	763.040276	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+H"	1.007276
"1354016"	255.018276	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H"	1.007276
"132376"	255.018276	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+2H"	2.014552
"574122"	382.023776	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+2H"	2.014552
"1045106"	128.012776	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2H"	2.014552
"209729"	170.347942666667	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+3H"	3.021828
"648196"	255.018276	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+3H"	3.021828
"1166686"	85.6776093333333	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+3H"	3.021828
"428503"	526.055823	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+NH4"	18.033823
"797157"	780.066823	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+NH4"	18.033823
"1690212"	272.044823	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+NH4"	18.033823
"338489"	263.5315495	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+H+NH4"	19.041099
"730912"	390.5370495	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+H+NH4"	19.041099
"1485823"	136.5260495	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H+NH4"	19.041099
"400128"	531.011218	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+Na"	22.989218
"756749"	785.022218	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+Na"	22.989218
"1607035"	277.000218	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Na"	22.989218
"325821"	266.009247	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+H+Na"	23.996494
"716056"	393.014747	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+H+Na"	23.996494
"1472066"	139.003747	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H+Na"	23.996494
"1064217"	93.0049233333333	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2H+Na"	25.00377
"1268083"	287.044486	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+CH3OH+H"	33.033486
"389938"	546.985158	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+K"	38.963158
"748747"	800.996158	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+K"	38.963158
"1551896"	292.974158	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+K"	38.963158
"309071"	273.996217	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+H+K"	39.970434
"696028"	401.001717	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+H+K"	39.970434
"1447660"	146.990717	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H+K"	39.970434
"241729"	550.055826	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+ACN+H"	42.033826
"1211393"	296.044826	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+ACN+H"	42.033826
"1198682"	148.526051	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+ACN+2H"	43.041102
"195565"	552.99316	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+2Na-H"	44.97116
"636218"	807.00416	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+2Na-H"	44.97116
"1132552"	298.98216	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2Na-H"	44.97116
"177180"	277.000218	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+2Na"	45.978436
"612983"	404.005718	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+2Na"	45.978436
"1117083"	149.994718	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2Na"	45.978436
"1413595"	100.332237333333	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H+2Na"	46.985712
"1444655"	301.023746	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H+HCOOH"	47.012746
"232891"	282.03324	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+3H2O+2H"	56.04448
"1521684"	315.07579	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+IsoProp+H"	61.06479
"417722"	284.987188	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+Na+K"	61.952376
"782365"	411.992688	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+Na+K"	61.952376
"1677966"	157.981688	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Na+K"	61.952376
"265582"	572.037768	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+ACN+Na"	64.015768
"1238654"	318.026768	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+ACN+Na"	64.015768
"1721708"	318.050293	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+NH4+HCOOH"	64.039293
"1188521"	107.659551333333	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+3Na"	68.967654
"1660600"	323.005688	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Na+HCOOH"	68.994688
"170373"	584.94104	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+2K-H"	76.91904
"607746"	838.95204	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+2K-H"	76.91904
"1091891"	330.93004	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2K-H"	76.91904
"149802"	292.974158	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"2M+2K"	77.926316
"587176"	419.979658	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"3M+2K"	77.926316
"1070106"	165.968658	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2K"	77.926316
"1107086"	332.944592	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2K+H"	78.933592
"1343473"	333.032207	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+DMSO+H"	79.021207
"1010909"	337.071376	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2ACN+H"	83.060376
"1527939"	338.065008	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+IsoProp+Na+H"	84.054008
"993293"	169.039326	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+2ACN+2H"	84.067652
"1595457"	338.979628	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+K+HCOOH"	84.968628
"1428415"	369.011138	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+H+CF3COOH"	115.000138
"1160159"	189.552601	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+3ACN+2H"	125.094202
"1707523"	386.037685	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+NH4+CF3COOH"	132.026685
"1646455"	390.99308	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+Na+CF3COOH"	136.98208
"1585384"	406.96702	"C19240"	"Nifurthiazole;2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole"	"C8H6N4O4S"	"254.011"	"M+K+CF3COOH"	152.95602
"812469"	721.3885	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M"	0
"980534"	702.37011	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-H2O-H"	-19.01839
"66588"	479.918390666667	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M-3H"	-3.021828
"517696"	720.381224	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M-3H"	-3.021828
"892702"	239.455557333333	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-3H"	-3.021828
"9089"	720.381224	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M-2H"	-2.014552
"441721"	1081.075474	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M-2H"	-2.014552
"825358"	359.686974	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-2H"	-2.014552
"80976"	1441.769724	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M-H"	-1.007276
"518953"	2163.158224	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M-H"	-1.007276
"896024"	720.381224	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-H"	-1.007276
"49434"	1458.796271	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M-2H+NH4"	16.019271
"502657"	2180.184771	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M-2H+NH4"	16.019271
"877008"	737.407771	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-2H+NH4"	16.019271
"46246"	1463.751666	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M-2H+Na"	20.974666
"484103"	2185.140166	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M-2H+Na"	20.974666
"863937"	742.363166	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-2H+Na"	20.974666
"1631805"	742.363166	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Na-2H"	20.974666
"106883"	738.369563	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M-H+Cl"	33.962126
"547901"	1099.063813	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M-H+Cl"	33.962126
"942347"	377.675313	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-H+Cl"	33.962126
"280700"	1477.746402	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+Cl"	34.969402
"672024"	2199.134902	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+Cl"	34.969402
"1278962"	756.357902	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Cl"	34.969402
"23709"	1479.725606	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M-2H+K"	36.948606
"462173"	2201.114106	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M-2H+K"	36.948606
"835964"	758.337106	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-2H+K"	36.948606
"1559453"	758.337106	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+K-2H"	36.948606
"946971"	766.386694	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-H+HCOOH"	44.998194
"365187"	1487.775201	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+HCOOH-H"	44.998201
"357459"	1501.790851	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+Hac-H"	59.013851
"1507022"	780.402351	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Hac-H"	59.013851
"968730"	788.368651	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-H+NaCOOH"	66.980151
"114357"	756.357902	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+2Cl"	69.938804
"551728"	1117.052152	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+2Cl"	69.938804
"1031472"	395.663652	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2Cl"	69.938804
"1251049"	800.307385	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Br"	78.918885
"1314590"	802.363372	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Cl+HCOOH"	80.974872
"1332817"	824.345329	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Cl+NaCOOH"	102.956829
"924976"	834.374086	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M-H+CF3COOH"	112.985586
"1303510"	870.350764	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Cl+CF3COOH"	148.962264
"1379844"	686.375824	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H-2H2O"	-35.012676
"1396612"	704.3858	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H-H2O"	-17.0027
"295930"	1443.784276	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+H"	1.007276
"685440"	2165.172776	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+H"	1.007276
"1363971"	722.395776	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H"	1.007276
"136860"	722.395776	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+2H"	2.014552
"572045"	1083.090026	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+2H"	2.014552
"1044122"	361.701526	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2H"	2.014552
"208013"	481.932942666667	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+3H"	3.021828
"645752"	722.395776	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+3H"	3.021828
"1165337"	241.470109333333	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+3H"	3.021828
"426425"	1460.810823	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+NH4"	18.033823
"789608"	2182.199323	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+NH4"	18.033823
"1696643"	739.422323	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+NH4"	18.033823
"345644"	730.9090495	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+H+NH4"	19.041099
"738302"	1091.6032995	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+H+NH4"	19.041099
"1485936"	370.2147995	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H+NH4"	19.041099
"401334"	1465.766218	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+Na"	22.989218
"762330"	2187.154718	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+Na"	22.989218
"1612614"	744.377718	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Na"	22.989218
"322653"	733.386747	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+H+Na"	23.996494
"716169"	1094.080997	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+H+Na"	23.996494
"1469989"	372.692497	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H+Na"	23.996494
"1062142"	248.797423333333	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2H+Na"	25.00377
"1270381"	754.421986	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+CH3OH+H"	33.033486
"385674"	1481.740158	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+K"	38.963158
"747763"	2203.128658	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+K"	38.963158
"1548724"	760.351658	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+K"	38.963158
"308087"	741.373717	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+H+K"	39.970434
"698324"	1102.067967	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+H+K"	39.970434
"1448864"	380.679467	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H+K"	39.970434
"246213"	1484.810826	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+ACN+H"	42.033826
"1215641"	763.422326	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+ACN+H"	42.033826
"1202803"	382.214801	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+ACN+2H"	43.041102
"197860"	1487.74816	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+2Na-H"	44.97116
"635231"	2209.13666	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+2Na-H"	44.97116
"1135823"	766.35966	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2Na-H"	44.97116
"174614"	744.377718	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+2Na"	45.978436
"614176"	1105.071968	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+2Na"	45.978436
"1115978"	383.683468	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2Na"	45.978436
"1414067"	256.124737333333	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H+2Na"	46.985712
"1444923"	768.401246	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H+HCOOH"	47.012746
"233731"	749.41074	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+3H2O+2H"	56.04448
"1521794"	782.45329	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+IsoProp+H"	61.06479
"422209"	752.364688	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+Na+K"	61.952376
"782476"	1113.058938	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+Na+K"	61.952376
"1677709"	391.670438	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Na+K"	61.952376
"265327"	1506.792768	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+ACN+Na"	64.015768
"1238399"	785.404268	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+ACN+Na"	64.015768
"1725829"	785.427793	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+NH4+HCOOH"	64.039293
"1190817"	263.452051333333	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+3Na"	68.967654
"1663260"	790.383188	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Na+HCOOH"	68.994688
"171577"	1519.69604	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+2K-H"	76.91904
"610775"	2241.08454	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+2K-H"	76.91904
"1096377"	798.30754	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2K-H"	76.91904
"153192"	760.351658	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"2M+2K"	77.926316
"587286"	1121.045908	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"3M+2K"	77.926316
"1075077"	399.657408	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2K"	77.926316
"1105007"	800.322092	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2K+H"	78.933592
"1346135"	800.409707	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+DMSO+H"	79.021207
"1013205"	804.448876	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2ACN+H"	83.060376
"1530236"	805.442508	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+IsoProp+Na+H"	84.054008
"992308"	402.728076	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+2ACN+2H"	84.067652
"1601037"	806.357128	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+K+HCOOH"	84.968628
"1425609"	836.388638	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+H+CF3COOH"	115.000138
"1159176"	423.241351	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+3ACN+2H"	125.094202
"1708726"	853.415185	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+NH4+CF3COOH"	132.026685
"1646565"	858.37058	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+Na+CF3COOH"	136.98208
"1582214"	874.34452	"C19241"	"Fumonisin B1"	"C34H59NO15"	"721.3885"	"M+K+CF3COOH"	152.95602
"802738"	705.3936	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M"	0
"975539"	686.37521	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-H2O-H"	-19.01839
"66698"	469.255124	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M-3H"	-3.021828
"512823"	704.386324	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M-3H"	-3.021828
"881147"	234.123924	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-3H"	-3.021828
"51"	704.386324	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M-2H"	-2.014552
"440252"	1057.083124	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M-2H"	-2.014552
"823282"	351.689524	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-2H"	-2.014552
"81450"	1409.779924	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M-H"	-1.007276
"518773"	2115.173524	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M-H"	-1.007276
"895768"	704.386324	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-H"	-1.007276
"50637"	1426.806471	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M-2H+NH4"	16.019271
"502780"	2132.200071	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M-2H+NH4"	16.019271
"875659"	721.412871	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-2H+NH4"	16.019271
"46843"	1431.761866	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M-2H+Na"	20.974666
"483119"	2137.155466	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M-2H+Na"	20.974666
"864203"	726.368266	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-2H+Na"	20.974666
"1634107"	726.368266	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Na-2H"	20.974666
"108814"	722.374663	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M-H+Cl"	33.962126
"546550"	1075.071463	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M-H+Cl"	33.962126
"940795"	369.677863	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-H+Cl"	33.962126
"279350"	1445.756602	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+Cl"	34.969402
"674808"	2151.150202	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+Cl"	34.969402
"1277979"	740.363002	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Cl"	34.969402
"30259"	1447.735806	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M-2H+K"	36.948606
"460098"	2153.129406	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M-2H+K"	36.948606
"836806"	742.342206	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-2H+K"	36.948606
"1559202"	742.342206	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+K-2H"	36.948606
"950365"	750.391794	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-H+HCOOH"	44.998194
"363114"	1455.785401	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+HCOOH-H"	44.998201
"349183"	1469.801051	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+Hac-H"	59.013851
"1495827"	764.407451	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Hac-H"	59.013851
"960091"	772.373751	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-H+NaCOOH"	66.980151
"114466"	740.363002	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+2Cl"	69.938804
"558401"	1093.059802	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+2Cl"	69.938804
"1033768"	387.666202	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2Cl"	69.938804
"1251159"	784.312485	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Br"	78.918885
"1314700"	786.368472	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Cl+HCOOH"	80.974872
"1334024"	808.350429	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Cl+NaCOOH"	102.956829
"925085"	818.379186	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M-H+CF3COOH"	112.985586
"1301066"	854.355864	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Cl+CF3COOH"	148.962264
"1379592"	670.380924	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H-2H2O"	-35.012676
"1396356"	688.3909	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H-H2O"	-17.0027
"297134"	1411.794476	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+H"	1.007276
"686643"	2117.188076	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+H"	1.007276
"1364083"	706.400876	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H"	1.007276
"135876"	706.400876	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+2H"	2.014552
"575435"	1059.097676	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+2H"	2.014552
"1042045"	353.704076	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2H"	2.014552
"209219"	471.269676	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+3H"	3.021828
"647321"	706.400876	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+3H"	3.021828
"1163257"	236.138476	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+3H"	3.021828
"435288"	1428.821023	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+NH4"	18.033823
"791544"	2134.214623	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+NH4"	18.033823
"1696834"	723.427423	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+NH4"	18.033823
"344178"	714.9141495	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+H+NH4"	19.041099
"737983"	1067.6109495	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+H+NH4"	19.041099
"1488233"	362.2173495	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H+NH4"	19.041099
"401445"	1433.776418	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+Na"	22.989218
"762441"	2139.170018	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+Na"	22.989218
"1612727"	728.382818	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Na"	22.989218
"326043"	717.391847	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+H+Na"	23.996494
"719926"	1070.088647	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+H+Na"	23.996494
"1475569"	364.695047	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H+Na"	23.996494
"1062252"	243.46579	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2H+Na"	25.00377
"1271220"	738.427086	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+CH3OH+H"	33.033486
"386877"	1449.750358	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+K"	38.963158
"752977"	2155.143958	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+K"	38.963158
"1548834"	744.356758	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+K"	38.963158
"308197"	725.378817	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+H+K"	39.970434
"706086"	1078.075617	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+H+K"	39.970434
"1450068"	372.682017	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H+K"	39.970434
"244136"	1452.821026	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+ACN+H"	42.033826
"1216843"	747.427426	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+ACN+H"	42.033826
"1201820"	374.217351	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+ACN+2H"	43.041102
"196877"	1455.75836	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+2Na-H"	44.97116
"636070"	2161.15196	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+2Na-H"	44.97116
"1132653"	750.36476	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2Na-H"	44.97116
"174118"	728.382818	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+2Na"	45.978436
"613677"	1081.079618	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+2Na"	45.978436
"1116088"	375.686018	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2Na"	45.978436
"1413929"	250.793104	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H+2Na"	46.985712
"1444747"	752.406346	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H+HCOOH"	47.012746
"235500"	733.41584	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+3H2O+2H"	56.04448
"1522271"	766.45839	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+IsoProp+H"	61.06479
"422681"	736.369788	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+Na+K"	61.952376
"784041"	1089.066588	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+Na+K"	61.952376
"1679645"	383.672988	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Na+K"	61.952376
"266650"	1474.802968	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+ACN+Na"	64.015768
"1238870"	769.409368	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+ACN+Na"	64.015768
"1727759"	769.432893	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+NH4+HCOOH"	64.039293
"1192382"	258.120418	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+3Na"	68.967654
"1662639"	774.388288	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Na+HCOOH"	68.994688
"170594"	1487.70624	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+2K-H"	76.91904
"610158"	2193.09984	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+2K-H"	76.91904
"1097582"	782.31264	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2K-H"	76.91904
"153302"	744.356758	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"2M+2K"	77.926316
"587396"	1097.053558	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"3M+2K"	77.926316
"1074094"	391.659958	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2K"	77.926316
"1102928"	784.327192	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2K+H"	78.933592
"1335707"	784.414807	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+DMSO+H"	79.021207
"1019150"	788.453976	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2ACN+H"	83.060376
"1533629"	789.447608	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+IsoProp+Na+H"	84.054008
"994607"	394.730626	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+2ACN+2H"	84.067652
"1596771"	790.362228	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+K+HCOOH"	84.968628
"1426448"	820.393738	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+H+CF3COOH"	115.000138
"1161109"	415.243901	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+3ACN+2H"	125.094202
"1707743"	837.420285	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+NH4+CF3COOH"	132.026685
"1646675"	842.37568	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+Na+CF3COOH"	136.98208
"1585604"	858.34962	"C19242"	"Fumonisin B2"	"C34H59NO14"	"705.3936"	"M+K+CF3COOH"	152.95602
"806128"	431.1944	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M"	0
"976014"	412.17601	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-H2O-H"	-19.01839
"65715"	286.455657333333	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M-3H"	-3.021828
"514027"	430.187124	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M-3H"	-3.021828
"884173"	142.724190666667	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-3H"	-3.021828
"187"	430.187124	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M-2H"	-2.014552
"440277"	645.784324	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M-2H"	-2.014552
"823392"	214.589924	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-2H"	-2.014552
"81560"	861.381524	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M-H"	-1.007276
"518806"	1292.575924	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M-H"	-1.007276
"895723"	430.187124	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-H"	-1.007276
"49654"	878.408071	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M-2H+NH4"	16.019271
"502186"	1309.602471	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M-2H+NH4"	16.019271
"873582"	447.213671	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-2H+NH4"	16.019271
"42576"	883.363466	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M-2H+Na"	20.974666
"479948"	1314.557866	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M-2H+Na"	20.974666
"863225"	452.169066	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-2H+Na"	20.974666
"1631662"	452.169066	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Na-2H"	20.974666
"107833"	448.175463	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M-H+Cl"	33.962126
"546660"	663.772663	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M-H+Cl"	33.962126
"937988"	232.578263	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-H+Cl"	33.962126
"276544"	897.358202	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+Cl"	34.969402
"672244"	1328.552602	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+Cl"	34.969402
"1278089"	466.163802	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Cl"	34.969402
"29033"	899.337406	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M-2H+K"	36.948606
"461302"	1330.531806	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M-2H+K"	36.948606
"836916"	468.143006	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-2H+K"	36.948606
"1562592"	468.143006	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+K-2H"	36.948606
"950475"	476.192594	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-H+HCOOH"	44.998194
"366504"	907.387001	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+HCOOH-H"	44.998201
"349293"	921.402651	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+Hac-H"	59.013851
"1495937"	490.208251	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Hac-H"	59.013851
"959593"	498.174551	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-H+NaCOOH"	66.980151
"113483"	466.163802	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+2Cl"	69.938804
"557418"	681.761002	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+2Cl"	69.938804
"1034972"	250.566602	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2Cl"	69.938804
"1254549"	510.113285	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Br"	78.918885
"1314810"	512.169272	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Cl+HCOOH"	80.974872
"1333405"	534.151229	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Cl+NaCOOH"	102.956829
"925557"	544.179986	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M-H+CF3COOH"	112.985586
"1298984"	580.156664	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Cl+CF3COOH"	148.962264
"1381399"	396.181724	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H-2H2O"	-35.012676
"1395735"	414.1917	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H-H2O"	-17.0027
"294326"	863.396076	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+H"	1.007276
"689668"	1294.590476	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+H"	1.007276
"1365286"	432.201676	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H"	1.007276
"135986"	432.201676	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+2H"	2.014552
"570078"	647.798876	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+2H"	2.014552
"1042157"	216.604476	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2H"	2.014552
"207507"	288.470209333333	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+3H"	3.021828
"648525"	432.201676	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+3H"	3.021828
"1164827"	144.738742666667	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+3H"	3.021828
"435398"	880.422623	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+NH4"	18.033823
"791290"	1311.617023	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+NH4"	18.033823
"1696257"	449.228223	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+NH4"	18.033823
"341008"	440.7149495	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+H+NH4"	19.041099
"737444"	656.3121495	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+H+NH4"	19.041099
"1489436"	225.1177495	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H+NH4"	19.041099
"401555"	885.378018	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+Na"	22.989218
"761458"	1316.572418	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+Na"	22.989218
"1611744"	454.183618	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Na"	22.989218
"325059"	443.192647	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+H+Na"	23.996494
"718210"	658.789847	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+H+Na"	23.996494
"1474828"	227.595447	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H+Na"	23.996494
"1062362"	152.066056666667	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2H+Na"	25.00377
"1268051"	464.227886	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+CH3OH+H"	33.033486
"386985"	901.351958	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+K"	38.963158
"747981"	1332.546358	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+K"	38.963158
"1552224"	470.157558	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+K"	38.963158
"310492"	451.179617	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+H+K"	39.970434
"700726"	666.776817	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+H+K"	39.970434
"1455645"	235.582417	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H+K"	39.970434
"243152"	904.422626	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+ACN+H"	42.033826
"1215860"	473.228226	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+ACN+H"	42.033826
"1205939"	237.117751	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+ACN+2H"	43.041102
"198081"	907.35996	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+2Na-H"	44.97116
"637640"	1338.55436	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+2Na-H"	44.97116
"1137501"	476.16556	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2Na-H"	44.97116
"180061"	454.183618	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+2Na"	45.978436
"617800"	669.780818	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+2Na"	45.978436
"1118025"	238.586418	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2Na"	45.978436
"1413477"	159.393370666667	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H+2Na"	46.985712
"1444246"	478.207146	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H+HCOOH"	47.012746
"234313"	459.21664	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+3H2O+2H"	56.04448
"1519825"	492.25919	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+IsoProp+H"	61.06479
"421698"	462.170588	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+Na+K"	61.952376
"783060"	677.767788	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+Na+K"	61.952376
"1679754"	246.573388	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Na+K"	61.952376
"264815"	926.404568	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+ACN+Na"	64.015768
"1236792"	495.210168	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+ACN+Na"	64.015768
"1725680"	495.233693	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+NH4+HCOOH"	64.039293
"1190305"	166.720684666667	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+3Na"	68.967654
"1660562"	500.189088	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Na+HCOOH"	68.994688
"170337"	939.30784	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+2K-H"	76.91904
"606617"	1370.50224	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+2K-H"	76.91904
"1090398"	508.11344	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2K-H"	76.91904
"150131"	470.157558	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"2M+2K"	77.926316
"588596"	685.754758	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"3M+2K"	77.926316
"1079669"	254.560358	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2K"	77.926316
"1108504"	510.127992	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2K+H"	78.933592
"1336385"	510.215607	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+DMSO+H"	79.021207
"1006006"	514.254776	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2ACN+H"	83.060376
"1528271"	515.248408	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+IsoProp+Na+H"	84.054008
"994717"	257.631026	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+2ACN+2H"	84.067652
"1602228"	516.163028	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+K+HCOOH"	84.968628
"1426924"	546.194538	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+H+CF3COOH"	115.000138
"1161583"	278.144301	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+3ACN+2H"	125.094202
"1708947"	563.221085	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+NH4+CF3COOH"	132.026685
"1647878"	568.17648	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+Na+CF3COOH"	136.98208
"1585714"	584.15042	"C19243"	"Fusarin C"	"C23H29NO7"	"431.1944"	"M+K+CF3COOH"	152.95602
"805144"	198.0905	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M"	0
"977581"	179.07211	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-H2O-H"	-19.01839
"68011"	131.053057333333	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M-3H"	-3.021828
"513043"	197.083224	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M-3H"	-3.021828
"882096"	65.0228906666667	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-3H"	-3.021828
"1032"	197.083224	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M-2H"	-2.014552
"442417"	296.128474	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M-2H"	-2.014552
"823502"	98.037974	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-2H"	-2.014552
"81670"	395.173724	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M-H"	-1.007276
"520865"	593.264224	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M-H"	-1.007276
"896843"	197.083224	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-H"	-1.007276
"50857"	412.200271	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M-2H+NH4"	16.019271
"502091"	610.290771	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M-2H+NH4"	16.019271
"875877"	214.109771	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-2H+NH4"	16.019271
"41592"	417.155666	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M-2H+Na"	20.974666
"480058"	615.246166	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M-2H+Na"	20.974666
"858956"	219.065166	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-2H+Na"	20.974666
"1628488"	219.065166	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Na-2H"	20.974666
"108186"	215.071563	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M-H+Cl"	33.962126
"546770"	314.116813	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M-H+Cl"	33.962126
"937005"	116.026313	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-H+Cl"	33.962126
"276654"	431.150402	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+Cl"	34.969402
"672354"	629.240902	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+Cl"	34.969402
"1279292"	233.059902	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Cl"	34.969402
"30236"	433.129606	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M-2H+K"	36.948606
"461412"	631.220106	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M-2H+K"	36.948606
"838119"	235.039106	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-2H+K"	36.948606
"1560511"	235.039106	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+K-2H"	36.948606
"950585"	243.088694	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-H+HCOOH"	44.998194
"366614"	441.179201	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+HCOOH-H"	44.998201
"348309"	455.194851	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+Hac-H"	59.013851
"1498233"	257.104351	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Hac-H"	59.013851
"960311"	265.070651	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-H+NaCOOH"	66.980151
"112500"	233.059902	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+2Cl"	69.938804
"557528"	332.105152	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+2Cl"	69.938804
"1026332"	134.014652	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2Cl"	69.938804
"1251376"	277.009385	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Br"	78.918885
"1308358"	279.065372	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Cl+HCOOH"	80.974872
"1333511"	301.047329	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Cl+NaCOOH"	102.956829
"925303"	311.076086	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M-H+CF3COOH"	112.985586
"1303713"	347.052764	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Cl+CF3COOH"	148.962264
"1381874"	163.077824	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H-2H2O"	-35.012676
"1395845"	181.0878	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H-H2O"	-17.0027
"294436"	397.188276	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+H"	1.007276
"678109"	595.278776	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+H"	1.007276
"1364303"	199.097776	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H"	1.007276
"135003"	199.097776	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+2H"	2.014552
"571281"	298.143026	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+2H"	2.014552
"1042266"	100.052526	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2H"	2.014552
"208710"	133.067609333333	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+3H"	3.021828
"648635"	199.097776	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+3H"	3.021828
"1166760"	67.0374426666667	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+3H"	3.021828
"435508"	414.214823	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+NH4"	18.033823
"791764"	612.305323	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+NH4"	18.033823
"1695277"	216.124323	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+NH4"	18.033823
"343670"	207.6110495	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+H+NH4"	19.041099
"736097"	306.6562995	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+H+NH4"	19.041099
"1489913"	108.5657995	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H+NH4"	19.041099
"405676"	419.170218	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+Na"	22.989218
"764848"	617.260718	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+Na"	22.989218
"1614040"	221.079718	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Na"	22.989218
"327355"	210.088747	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+H+Na"	23.996494
"717590"	309.133997	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+H+Na"	23.996494
"1474331"	111.043497	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H+Na"	23.996494
"1066116"	74.3647566666667	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2H+Na"	25.00377
"1268893"	231.123986	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+CH3OH+H"	33.033486
"387095"	435.144158	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+K"	38.963158
"749185"	633.234658	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+K"	38.963158
"1552336"	237.053658	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+K"	38.963158
"307322"	218.075717	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+H+K"	39.970434
"701929"	317.120967	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+H+K"	39.970434
"1454661"	119.030467	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H+K"	39.970434
"243261"	438.214826	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+ACN+H"	42.033826
"1215970"	240.124326	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+ACN+H"	42.033826
"1206049"	120.565801	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+ACN+2H"	43.041102
"199284"	441.15216	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+2Na-H"	44.97116
"638843"	639.24266	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+2Na-H"	44.97116
"1135059"	243.06166	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2Na-H"	44.97116
"180171"	221.079718	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+2Na"	45.978436
"617910"	320.124968	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+2Na"	45.978436
"1118135"	122.034468	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2Na"	45.978436
"1412735"	81.6920706666667	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H+2Na"	46.985712
"1443629"	245.103246	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H+HCOOH"	47.012746
"234667"	226.11274	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+3H2O+2H"	56.04448
"1521030"	259.15529	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+IsoProp+H"	61.06479
"422536"	229.066688	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+Na+K"	61.952376
"783899"	328.111938	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+Na+K"	61.952376
"1677678"	130.021438	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Na+K"	61.952376
"265532"	460.196768	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+ACN+Na"	64.015768
"1238361"	262.106268	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+ACN+Na"	64.015768
"1726156"	262.129793	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+NH4+HCOOH"	64.039293
"1191874"	89.0193846666667	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+3Na"	68.967654
"1663952"	267.085188	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Na+HCOOH"	68.994688
"171786"	473.10004	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+2K-H"	76.91904
"604538"	671.19054	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+2K-H"	76.91904
"1091601"	275.00954	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2K-H"	76.91904
"146961"	237.053658	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"2M+2K"	77.926316
"587613"	336.098908	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"3M+2K"	77.926316
"1076499"	138.008408	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2K"	77.926316
"1106427"	277.024092	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2K+H"	78.933592
"1336859"	277.111707	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+DMSO+H"	79.021207
"1005676"	281.150876	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2ACN+H"	83.060376
"1527285"	282.144508	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+IsoProp+Na+H"	84.054008
"990938"	141.079076	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+2ACN+2H"	84.067652
"1602582"	283.059128	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+K+HCOOH"	84.968628
"1428120"	313.090638	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+H+CF3COOH"	115.000138
"1159506"	161.592351	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+3ACN+2H"	125.094202
"1706870"	330.117185	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+NH4+CF3COOH"	132.026685
"1647988"	335.07258	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+Na+CF3COOH"	136.98208
"1585824"	351.04652	"C19244"	"Glu-P-1;2-Amino-6-methyldipyrid12-a:32-dimidazole"	"C11H10N4"	"198.0905"	"M+K+CF3COOH"	152.95602
"804161"	184.0749	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M"	0
"979881"	165.05651	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-H2O-H"	-19.01839
"72497"	121.709324	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M-3H"	-3.021828
"513153"	183.067624	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M-3H"	-3.021828
"884394"	60.351024	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-3H"	-3.021828
"292"	183.067624	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M-2H"	-2.014552
"440102"	275.105074	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M-2H"	-2.014552
"823612"	91.030174	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-2H"	-2.014552
"80807"	367.142524	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M-H"	-1.007276
"520975"	551.217424	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M-H"	-1.007276
"896710"	183.067624	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-H"	-1.007276
"49022"	384.169071	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M-2H+NH4"	16.019271
"502283"	568.243971	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M-2H+NH4"	16.019271
"877082"	200.094171	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-2H+NH4"	16.019271
"42795"	389.124466	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M-2H+Na"	20.974666
"479074"	573.199366	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M-2H+Na"	20.974666
"859066"	205.049566	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-2H+Na"	20.974666
"1628598"	205.049566	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Na-2H"	20.974666
"109269"	201.055963	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M-H+Cl"	33.962126
"543601"	293.093413	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M-H+Cl"	33.962126
"936022"	109.018513	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-H+Cl"	33.962126
"275671"	403.119202	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+Cl"	34.969402
"669184"	587.194102	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+Cl"	34.969402
"1278309"	219.044302	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Cl"	34.969402
"29253"	405.098406	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M-2H+K"	36.948606
"461522"	589.173306	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M-2H+K"	36.948606
"839324"	221.023506	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-2H+K"	36.948606
"1562811"	221.023506	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+K-2H"	36.948606
"947415"	229.073094	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-H+HCOOH"	44.998194
"366724"	413.148001	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+HCOOH-H"	44.998201
"347326"	427.163651	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+Hac-H"	59.013851
"1495064"	243.088751	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Hac-H"	59.013851
"959449"	251.055051	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-H+NaCOOH"	66.980151
"112001"	219.044302	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+2Cl"	69.938804
"551318"	311.081752	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+2Cl"	69.938804
"1033003"	127.006852	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2Cl"	69.938804
"1250393"	262.993785	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Br"	78.918885
"1307375"	265.049772	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Cl+HCOOH"	80.974872
"1330342"	287.031729	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Cl+NaCOOH"	102.956829
"922494"	297.060486	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M-H+CF3COOH"	112.985586
"1302854"	333.037164	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Cl+CF3COOH"	148.962264
"1382110"	149.062224	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H-2H2O"	-35.012676
"1398145"	167.0722	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H-H2O"	-17.0027
"296734"	369.157076	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+H"	1.007276
"683686"	553.231976	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+H"	1.007276
"1364412"	185.082176	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H"	1.007276
"138393"	185.082176	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+2H"	2.014552
"575766"	277.119626	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+2H"	2.014552
"1042376"	93.044726	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2H"	2.014552
"209186"	123.723876	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+3H"	3.021828
"647652"	185.082176	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+3H"	3.021828
"1162979"	62.365576	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+3H"	3.021828
"433432"	386.183623	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+NH4"	18.033823
"791874"	570.258523	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+NH4"	18.033823
"1696474"	202.108723	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+NH4"	18.033823
"343051"	193.5954495	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+H+NH4"	19.041099
"736202"	285.6328995	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+H+NH4"	19.041099
"1490387"	101.5579995	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H+NH4"	19.041099
"403964"	391.139018	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+Na"	22.989218
"766785"	575.213918	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+Na"	22.989218
"1616219"	207.064118	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Na"	22.989218
"325281"	196.073147	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+H+Na"	23.996494
"717699"	288.110597	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+H+Na"	23.996494
"1473347"	104.035697	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H+Na"	23.996494
"1065498"	69.69289	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2H+Na"	25.00377
"1269732"	217.108386	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+CH3OH+H"	33.033486
"390852"	407.112958	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+K"	38.963158
"750755"	591.187858	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+K"	38.963158
"1553539"	223.038058	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+K"	38.963158
"308525"	204.060117	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+H+K"	39.970434
"700946"	296.097567	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+H+K"	39.970434
"1458781"	112.022667	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H+K"	39.970434
"246651"	410.183626	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+ACN+H"	42.033826
"1218267"	226.108726	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+ACN+H"	42.033826
"1206524"	113.558001	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+ACN+2H"	43.041102
"198300"	413.12096	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+2Na-H"	44.97116
"640412"	597.19586	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+2Na-H"	44.97116
"1140273"	229.04606	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2Na-H"	44.97116
"184656"	207.064118	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+2Na"	45.978436
"618020"	299.101568	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+2Na"	45.978436
"1121526"	115.026668	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2Na"	45.978436
"1413086"	77.020204	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H+2Na"	46.985712
"1441915"	231.087646	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H+HCOOH"	47.012746
"234651"	212.09714	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+3H2O+2H"	56.04448
"1523323"	245.13969	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+IsoProp+H"	61.06479
"422286"	215.051088	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+Na+K"	61.952376
"782186"	307.088538	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+Na+K"	61.952376
"1679854"	123.013638	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Na+K"	61.952376
"263211"	432.165568	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+ACN+Na"	64.015768
"1237377"	248.090668	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+ACN+Na"	64.015768
"1724444"	248.114193	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+NH4+HCOOH"	64.039293
"1192350"	84.347518	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+3Na"	68.967654
"1661875"	253.069588	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Na+HCOOH"	68.994688
"170923"	445.06884	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+2K-H"	76.91904
"609024"	629.14374	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+2K-H"	76.91904
"1093171"	260.99394	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2K-H"	76.91904
"153636"	223.038058	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"2M+2K"	77.926316
"591736"	315.075508	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"3M+2K"	77.926316
"1080622"	131.000608	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2K"	77.926316
"1112006"	263.008492	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2K+H"	78.933592
"1341830"	263.096107	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+DMSO+H"	79.021207
"1006713"	267.135276	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2ACN+H"	83.060376
"1524638"	268.128908	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+IsoProp+Na+H"	84.054008
"993843"	134.071276	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+2ACN+2H"	84.067652
"1601962"	269.043528	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+K+HCOOH"	84.968628
"1428231"	299.075038	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+H+CF3COOH"	115.000138
"1159611"	154.584551	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+3ACN+2H"	125.094202
"1703698"	316.101585	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+NH4+CF3COOH"	132.026685
"1648098"	321.05698	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+Na+CF3COOH"	136.98208
"1585934"	337.03092	"C19245"	"Glu-P-2;2-Aminodipyrido12-a:32-dimidazole"	"C10H8N4"	"184.0749"	"M+K+CF3COOH"	152.95602
"813019"	72.0211	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M"	0
"986552"	53.00271	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-H2O-H"	-19.01839
"64952"	47.0067906666667	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M-3H"	-3.021828
"509983"	71.013824	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M-3H"	-3.021828
"884504"	22.9997573333333	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-3H"	-3.021828
"760"	71.013824	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M-2H"	-2.014552
"440928"	107.024374	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M-2H"	-2.014552
"821899"	35.003274	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-2H"	-2.014552
"80553"	143.034924	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M-H"	-1.007276
"519258"	215.056024	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M-H"	-1.007276
"897062"	71.013824	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-H"	-1.007276
"49253"	160.061471	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M-2H+NH4"	16.019271
"502676"	232.082571	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M-2H+NH4"	16.019271
"873910"	88.040371	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-2H+NH4"	16.019271
"43634"	165.016866	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M-2H+Na"	20.974666
"479184"	237.037966	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M-2H+Na"	20.974666
"859176"	92.995766	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-2H+Na"	20.974666
"1625426"	92.995766	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Na-2H"	20.974666
"109901"	89.002163	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M-H+Cl"	33.962126
"546991"	125.012713	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M-H+Cl"	33.962126
"937224"	52.991613	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-H+Cl"	33.962126
"273594"	179.011602	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+Cl"	34.969402
"669294"	251.032702	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+Cl"	34.969402
"1278419"	106.990502	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Cl"	34.969402
"28634"	180.990806	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M-2H+K"	36.948606
"461632"	253.011906	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M-2H+K"	36.948606
"839434"	108.969706	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-2H+K"	36.948606
"1562921"	108.969706	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+K-2H"	36.948606
"947525"	117.019294	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-H+HCOOH"	44.998194
"365741"	189.040401	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+HCOOH-H"	44.998201
"346298"	203.056051	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+Hac-H"	59.013851
"1495174"	131.034951	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Hac-H"	59.013851
"961620"	139.001251	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-H+NaCOOH"	66.980151
"112713"	106.990502	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+2Cl"	69.938804
"550372"	143.001052	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+2Cl"	69.938804
"1030923"	70.979952	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2Cl"	69.938804
"1248317"	150.939985	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Br"	78.918885
"1309672"	152.995972	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Cl+HCOOH"	80.974872
"1331545"	174.977929	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Cl+NaCOOH"	102.956829
"924791"	185.006686	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M-H+CF3COOH"	112.985586
"1302963"	220.983364	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Cl+CF3COOH"	148.962264
"1382465"	37.008424	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H-2H2O"	-35.012676
"1398012"	55.0184	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H-H2O"	-17.0027
"293564"	145.049476	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+H"	1.007276
"682703"	217.070576	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+H"	1.007276
"1352854"	73.028376	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H"	1.007276
"135223"	73.028376	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+2H"	2.014552
"575876"	109.038926	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+2H"	2.014552
"1040298"	37.017826	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2H"	2.014552
"210390"	49.0213426666667	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+3H"	3.021828
"648856"	73.028376	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+3H"	3.021828
"1163940"	25.0143093333333	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+3H"	3.021828
"434635"	162.076023	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+NH4"	18.033823
"789430"	234.097123	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+NH4"	18.033823
"1696871"	90.054923	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+NH4"	18.033823
"344256"	81.5416495	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+H+NH4"	19.041099
"736312"	117.5521995	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+H+NH4"	19.041099
"1490497"	45.5310995	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H+NH4"	19.041099
"401884"	167.031418	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+Na"	22.989218
"761788"	239.052518	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+Na"	22.989218
"1616814"	95.010318	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Na"	22.989218
"324298"	84.019347	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+H+Na"	23.996494
"715623"	120.029897	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+H+Na"	23.996494
"1471631"	48.008797	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H+Na"	23.996494
"1065972"	32.3416233333333	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2H+Na"	25.00377
"1270571"	105.054586	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+CH3OH+H"	33.033486
"386223"	183.005358	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+K"	38.963158
"751232"	255.026458	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+K"	38.963158
"1554013"	110.984258	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+K"	38.963158
"313742"	92.006317	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+H+K"	39.970434
"706963"	128.016867	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+H+K"	39.970434
"1457797"	55.995767	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H+K"	39.970434
"244577"	186.076026	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+ACN+H"	42.033826
"1216192"	114.054926	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+ACN+H"	42.033826
"1205541"	57.531101	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+ACN+2H"	43.041102
"195131"	189.01336	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+2Na-H"	44.97116
"637971"	261.03446	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+2Na-H"	44.97116
"1143663"	116.99226	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2Na-H"	44.97116
"184766"	95.010318	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+2Na"	45.978436
"616308"	131.020868	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+2Na"	45.978436
"1117262"	58.999768	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2Na"	45.978436
"1413319"	39.6689373333333	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H+2Na"	46.985712
"1444463"	119.033846	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H+HCOOH"	47.012746
"235334"	100.04334	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+3H2O+2H"	56.04448
"1522952"	133.08589	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+IsoProp+H"	61.06479
"423244"	102.997288	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+Na+K"	61.952376
"778647"	139.007838	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+Na+K"	61.952376
"1678992"	66.986738	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Na+K"	61.952376
"262592"	208.057968	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+ACN+Na"	64.015768
"1239309"	136.036868	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+ACN+Na"	64.015768
"1726011"	136.060393	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+NH4+HCOOH"	64.039293
"1193187"	46.9962513333333	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+3Na"	68.967654
"1661984"	141.015788	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Na+HCOOH"	68.994688
"167021"	220.96124	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+2K-H"	76.91904
"609499"	292.98234	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+2K-H"	76.91904
"1098387"	148.94014	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2K-H"	76.91904
"154474"	110.984258	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"2M+2K"	77.926316
"592575"	146.994808	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"3M+2K"	77.926316
"1079637"	74.973708	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2K"	77.926316
"1113578"	150.954692	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2K+H"	78.933592
"1343034"	151.042307	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+DMSO+H"	79.021207
"1006822"	155.081476	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2ACN+H"	83.060376
"1524575"	156.075108	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+IsoProp+Na+H"	84.054008
"997236"	78.044376	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+2ACN+2H"	84.067652
"1601464"	156.989728	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+K+HCOOH"	84.968628
"1426154"	187.021238	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+H+CF3COOH"	115.000138
"1159721"	98.557651	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+3ACN+2H"	125.094202
"1703808"	204.047785	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+NH4+CF3COOH"	132.026685
"1638365"	209.00318	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+Na+CF3COOH"	136.98208
"1586044"	224.97712	"C19246"	"Glycidaldehyde;2-Oxiranecarboxaldehyde"	"C3H4O2"	"72.0211"	"M+K+CF3COOH"	152.95602
"804381"	255.1219	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M"	0
"980101"	236.10351	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-H2O-H"	-19.01839
"72717"	169.073990666667	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M-3H"	-3.021828
"510093"	254.114624	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M-3H"	-3.021828
"887894"	84.0333573333333	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-3H"	-3.021828
"428"	254.114624	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M-2H"	-2.014552
"440431"	381.675574	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M-2H"	-2.014552
"827113"	126.553674	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-2H"	-2.014552
"82364"	509.236524	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M-H"	-1.007276
"519008"	764.358424	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M-H"	-1.007276
"898632"	254.114624	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-H"	-1.007276
"50092"	526.263071	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M-2H+NH4"	16.019271
"502055"	781.384971	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M-2H+NH4"	16.019271
"871833"	271.141171	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-2H+NH4"	16.019271
"41921"	531.218466	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M-2H+Na"	20.974666
"477107"	786.340366	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M-2H+Na"	20.974666
"861472"	276.096566	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-2H+Na"	20.974666
"1628816"	276.096566	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Na-2H"	20.974666
"107536"	272.102963	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M-H+Cl"	33.962126
"548194"	399.663913	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M-H+Cl"	33.962126
"938428"	144.542013	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-H+Cl"	33.962126
"276984"	545.213202	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+Cl"	34.969402
"669406"	800.335102	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+Cl"	34.969402
"1281805"	290.091302	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Cl"	34.969402
"28743"	547.192406	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M-2H+K"	36.948606
"461742"	802.314306	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M-2H+K"	36.948606
"838451"	292.070506	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-2H+K"	36.948606
"1564124"	292.070506	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+K-2H"	36.948606
"947633"	300.120094	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-H+HCOOH"	44.998194
"365119"	555.242001	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+HCOOH-H"	44.998201
"347908"	569.257651	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+Hac-H"	59.013851
"1494552"	314.135751	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Hac-H"	59.013851
"959056"	322.102051	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-H+NaCOOH"	66.980151
"111730"	290.091302	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+2Cl"	69.938804
"550201"	417.652252	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+2Cl"	69.938804
"1032126"	162.530352	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2Cl"	69.938804
"1251707"	334.040785	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Br"	78.918885
"1311969"	336.096772	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Cl+HCOOH"	80.974872
"1334570"	358.078729	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Cl+NaCOOH"	102.956829
"926359"	368.107486	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M-H+CF3COOH"	112.985586
"1301608"	404.084164	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Cl+CF3COOH"	148.962264
"1374300"	220.109224	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H-2H2O"	-35.012676
"1396790"	238.1192	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H-H2O"	-17.0027
"298049"	511.251076	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+H"	1.007276
"685000"	766.372976	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+H"	1.007276
"1355516"	256.129176	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H"	1.007276
"137520"	256.129176	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+2H"	2.014552
"575986"	383.690126	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+2H"	2.014552
"1040774"	128.568226	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2H"	2.014552
"210500"	171.088542666667	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+3H"	3.021828
"646776"	256.129176	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+3H"	3.021828
"1165264"	86.0479093333333	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+3H"	3.021828
"435838"	528.277623	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+NH4"	18.033823
"788812"	783.399523	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+NH4"	18.033823
"1696696"	273.155723	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+NH4"	18.033823
"345622"	264.6424495	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+H+NH4"	19.041099
"736057"	392.2033995	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+H+NH4"	19.041099
"1490971"	137.0814995	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H+NH4"	19.041099
"404182"	533.233018	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+Na"	22.989218
"766272"	788.354918	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+Na"	22.989218
"1614371"	278.111118	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Na"	22.989218
"324407"	267.120147	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+H+Na"	23.996494
"714640"	394.681097	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+H+Na"	23.996494
"1471741"	139.559197	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H+Na"	23.996494
"1065719"	93.3752233333333	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2H+Na"	25.00377
"1270678"	288.155386	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+CH3OH+H"	33.033486
"387427"	549.206958	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+K"	38.963158
"752070"	804.328858	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+K"	38.963158
"1552299"	294.085058	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+K"	38.963158
"313894"	275.107117	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+H+K"	39.970434
"706272"	402.668067	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+H+K"	39.970434
"1457907"	147.546167	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H+K"	39.970434
"245416"	552.277626	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+ACN+H"	42.033826
"1219582"	297.155726	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+ACN+H"	42.033826
"1202371"	149.081501	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+ACN+2H"	43.041102
"195605"	555.21496	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+2Na-H"	44.97116
"638082"	810.33686	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+2Na-H"	44.97116
"1142680"	300.09306	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2Na-H"	44.97116
"181596"	278.111118	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+2Na"	45.978436
"616780"	405.672068	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+2Na"	45.978436
"1119557"	150.550168	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2Na"	45.978436
"1413919"	100.702537333333	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H+2Na"	46.985712
"1445307"	302.134646	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H+HCOOH"	47.012746
"234995"	283.14414	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+3H2O+2H"	56.04448
"1523921"	316.18669	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+IsoProp+H"	61.06479
"424205"	286.098088	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+Na+K"	61.952376
"784469"	413.659038	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+Na+K"	61.952376
"1679465"	158.537138	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Na+K"	61.952376
"265981"	574.259568	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+ACN+Na"	64.015768
"1239786"	319.137668	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+ACN+Na"	64.015768
"1726851"	319.161193	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+NH4+HCOOH"	64.039293
"1193419"	108.029851333333	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+3Na"	68.967654
"1663553"	324.116588	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Na+HCOOH"	68.994688
"168224"	587.16284	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+2K-H"	76.91904
"610339"	842.28474	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+2K-H"	76.91904
"1098861"	332.04094	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2K-H"	76.91904
"154949"	294.085058	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"2M+2K"	77.926316
"593050"	421.646008	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"3M+2K"	77.926316
"1079017"	166.524108	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2K"	77.926316
"1113687"	334.055492	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2K+H"	78.933592
"1342051"	334.143107	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+DMSO+H"	79.021207
"1011674"	338.182276	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2ACN+H"	83.060376
"1524447"	339.175908	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+IsoProp+Na+H"	84.054008
"990655"	169.594776	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+2ACN+2H"	84.067652
"1600601"	340.090528	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+K+HCOOH"	84.968628
"1426264"	370.122038	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+H+CF3COOH"	115.000138
"1159831"	190.108051	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+3ACN+2H"	125.094202
"1707198"	387.148585	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+NH4+CF3COOH"	132.026685
"1638471"	392.10398	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+Na+CF3COOH"	136.98208
"1586154"	408.07792	"C19247"	"HC Blue No1;22-4-(Methylamino)-3-nitrophenyliminobisethanol"	"C11H17N3O4"	"255.1219"	"M+K+CF3COOH"	152.95602
"803398"	233.8131	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M"	0
"980211"	214.79471	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-H2O-H"	-19.01839
"72827"	154.868124	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M-3H"	-3.021828
"506923"	232.805824	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M-3H"	-3.021828
"881808"	76.930424	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-3H"	-3.021828
"63"	232.805824	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M-2H"	-2.014552
"440061"	349.712374	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M-2H"	-2.014552
"827223"	115.899274	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-2H"	-2.014552
"79560"	466.618924	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M-H"	-1.007276
"520213"	700.432024	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M-H"	-1.007276
"901294"	232.805824	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-H"	-1.007276
"49110"	483.645471	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M-2H+NH4"	16.019271
"500704"	717.458571	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M-2H+NH4"	16.019271
"868663"	249.832371	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-2H+NH4"	16.019271
"42031"	488.600866	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M-2H+Na"	20.974666
"478311"	722.413966	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M-2H+Na"	20.974666
"861218"	254.787766	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-2H+Na"	20.974666
"1631113"	254.787766	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Na-2H"	20.974666
"106553"	250.794163	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M-H+Cl"	33.962126
"546118"	367.700713	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M-H+Cl"	33.962126
"936352"	133.887613	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-H+Cl"	33.962126
"277094"	502.595602	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+Cl"	34.969402
"669515"	736.408702	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+Cl"	34.969402
"1279728"	268.782502	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Cl"	34.969402
"28853"	504.574806	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M-2H+K"	36.948606
"461852"	738.387906	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M-2H+K"	36.948606
"841841"	270.761706	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-2H+K"	36.948606
"1564234"	270.761706	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+K-2H"	36.948606
"946649"	278.811294	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-H+HCOOH"	44.998194
"364866"	512.624401	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+HCOOH-H"	44.998201
"350934"	526.640051	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+Hac-H"	59.013851
"1493245"	292.826951	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Hac-H"	59.013851
"959288"	300.793251	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-H+NaCOOH"	66.980151
"114026"	268.782502	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+2Cl"	69.938804
"550188"	385.689052	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+2Cl"	69.938804
"1026768"	151.875952	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2Cl"	69.938804
"1251817"	312.731985	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Br"	78.918885
"1308799"	314.787972	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Cl+HCOOH"	80.974872
"1332858"	336.769929	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Cl+NaCOOH"	102.956829
"925377"	346.798686	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M-H+CF3COOH"	112.985586
"1301718"	382.775364	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Cl+CF3COOH"	148.962264
"1377690"	198.800424	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H-2H2O"	-35.012676
"1387533"	216.8104	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H-H2O"	-17.0027
"294878"	468.633476	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+H"	1.007276
"684017"	702.446576	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+H"	1.007276
"1354898"	234.820376	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H"	1.007276
"136537"	234.820376	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+2H"	2.014552
"576096"	351.726926	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+2H"	2.014552
"1040155"	117.913826	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2H"	2.014552
"210610"	156.882676	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+3H"	3.021828
"646888"	234.820376	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+3H"	3.021828
"1164281"	78.944976	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+3H"	3.021828
"435948"	485.660023	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+NH4"	18.033823
"788922"	719.473123	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+NH4"	18.033823
"1695470"	251.846923	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+NH4"	18.033823
"344113"	243.3336495	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+H+NH4"	19.041099
"735439"	360.2401995	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+H+NH4"	19.041099
"1490353"	126.4270995	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H+NH4"	19.041099
"404292"	490.615418	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+Na"	22.989218
"766018"	724.428518	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+Na"	22.989218
"1613388"	256.802318	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Na"	22.989218
"326339"	245.811347	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+H+Na"	23.996494
"715843"	362.717897	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+H+Na"	23.996494
"1471851"	128.904797	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H+Na"	23.996494
"1063644"	86.27229	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2H+Na"	25.00377
"1269696"	266.846586	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+CH3OH+H"	33.033486
"389725"	506.589358	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+K"	38.963158
"751815"	740.402458	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+K"	38.963158
"1550952"	272.776258	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+K"	38.963158
"313842"	253.798317	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+H+K"	39.970434
"705289"	370.704867	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+H+K"	39.970434
"1456560"	136.891767	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H+K"	39.970434
"245890"	509.660026	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+ACN+H"	42.033826
"1216412"	275.846926	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+ACN+H"	42.033826
"1203573"	138.427101	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+ACN+2H"	43.041102
"195351"	512.59736	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+2Na-H"	44.97116
"633818"	746.41046	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+2Na-H"	44.97116
"1142427"	278.78426	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2Na-H"	44.97116
"181706"	256.802318	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+2Na"	45.978436
"616893"	373.708868	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+2Na"	45.978436
"1117120"	139.895768	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2Na"	45.978436
"1413407"	93.599604	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H+2Na"	46.985712
"1444802"	280.825846	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H+HCOOH"	47.012746
"234496"	261.83534	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+3H2O+2H"	56.04448
"1524149"	294.87789	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+IsoProp+H"	61.06479
"424115"	264.789288	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+Na+K"	61.952376
"783245"	381.695838	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+Na+K"	61.952376
"1679573"	147.882738	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Na+K"	61.952376
"264997"	531.641968	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+ACN+Na"	64.015768
"1240263"	297.828868	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+ACN+Na"	64.015768
"1727689"	297.852393	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+NH4+HCOOH"	64.039293
"1193043"	100.926918	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+3Na"	68.967654
"1663663"	302.807788	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Na+HCOOH"	68.994688
"170888"	544.54524	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+2K-H"	76.91904
"609356"	778.35834	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+2K-H"	76.91904
"1097516"	310.73214	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2K-H"	76.91904
"155061"	272.776258	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"2M+2K"	77.926316
"593160"	389.682808	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"3M+2K"	77.926316
"1080585"	155.869708	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2K"	77.926316
"1113433"	312.746692	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2K+H"	78.933592
"1344348"	312.834307	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+DMSO+H"	79.021207
"1012878"	316.873476	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2ACN+H"	83.060376
"1525168"	317.867108	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+IsoProp+Na+H"	84.054008
"991983"	158.940376	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+2ACN+2H"	84.067652
"1600711"	318.781728	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+K+HCOOH"	84.968628
"1426374"	348.813238	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+H+CF3COOH"	115.000138
"1159941"	179.453651	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+3ACN+2H"	125.094202
"1712639"	365.839785	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+NH4+CF3COOH"	132.026685
"1637488"	370.79518	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+Na+CF3COOH"	136.98208
"1586264"	386.76912	"C19248"	"Hexachloroethane"	"C2Cl6"	"233.8131"	"M+K+CF3COOH"	152.95602
"804602"	96.0575	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M"	0
"983602"	77.03911	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-H2O-H"	-19.01839
"72941"	63.0310573333333	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M-3H"	-3.021828
"510314"	95.050224	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M-3H"	-3.021828
"894313"	31.0118906666667	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-3H"	-3.021828
"14352"	95.050224	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M-2H"	-2.014552
"452448"	143.078974	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M-2H"	-2.014552
"827333"	47.021474	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-2H"	-2.014552
"84045"	191.107724	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M-H"	-1.007276
"530167"	287.165224	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M-H"	-1.007276
"910283"	95.050224	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-H"	-1.007276
"57605"	208.134271	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M-2H+NH4"	16.019271
"502040"	304.191771	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M-2H+NH4"	16.019271
"878865"	112.076771	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-2H+NH4"	16.019271
"46733"	213.089666	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M-2H+Na"	20.974666
"486776"	309.147166	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M-2H+Na"	20.974666
"863520"	117.032166	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-2H+Na"	20.974666
"1631959"	117.032166	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Na-2H"	20.974666
"106298"	113.038563	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M-H+Cl"	33.962126
"540759"	161.067313	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M-H+Cl"	33.962126
"930993"	65.009813	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-H+Cl"	33.962126
"271737"	227.084402	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+Cl"	34.969402
"663067"	323.141902	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+Cl"	34.969402
"1275468"	131.026902	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Cl"	34.969402
"30057"	229.063606	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M-2H+K"	36.948606
"469618"	325.121106	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M-2H+K"	36.948606
"839764"	133.006106	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-2H+K"	36.948606
"1558877"	133.006106	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+K-2H"	36.948606
"944573"	141.055694	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-H+HCOOH"	44.998194
"363879"	237.113201	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+HCOOH-H"	44.998201
"349950"	251.128851	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+Hac-H"	59.013851
"1493682"	155.071351	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Hac-H"	59.013851
"960857"	163.037651	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-H+NaCOOH"	66.980151
"111956"	131.026902	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+2Cl"	69.938804
"559173"	179.055652	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+2Cl"	69.938804
"1033443"	82.998152	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2Cl"	69.938804
"1242087"	174.976385	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Br"	78.918885
"1308909"	177.032372	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Cl+HCOOH"	80.974872
"1333697"	199.014329	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Cl+NaCOOH"	102.956829
"925486"	209.043086	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M-H+CF3COOH"	112.985586
"1301467"	245.019764	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Cl+CF3COOH"	148.962264
"1381451"	61.044824	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H-2H2O"	-35.012676
"1397612"	79.0548	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H-H2O"	-17.0027
"294988"	193.122276	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+H"	1.007276
"687410"	289.179776	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+H"	1.007276
"1366597"	97.064776	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H"	1.007276
"138835"	97.064776	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+2H"	2.014552
"574020"	145.093526	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+2H"	2.014552
"1046102"	49.036026	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2H"	2.014552
"207441"	65.0456093333333	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+3H"	3.021828
"646271"	97.064776	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+3H"	3.021828
"1169503"	33.0264426666667	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+3H"	3.021828
"436058"	210.148823	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+NH4"	18.033823
"788304"	306.206323	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+NH4"	18.033823
"1695945"	114.091323	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+NH4"	18.033823
"342398"	105.5780495	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+H+NH4"	19.041099
"736279"	153.6067995	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+H+NH4"	19.041099
"1490465"	57.5492995	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H+NH4"	19.041099
"406591"	215.104218	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+Na"	22.989218
"768317"	311.161718	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+Na"	22.989218
"1614228"	119.046718	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Na"	22.989218
"326816"	108.055747	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+H+Na"	23.996494
"719237"	156.084497	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+H+Na"	23.996494
"1473060"	60.026997	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H+Na"	23.996494
"1068012"	40.3537566666667	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2H+Na"	25.00377
"1271508"	129.090986	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+CH3OH+H"	33.033486
"388740"	231.078158	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+K"	38.963158
"752780"	327.135658	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+K"	38.963158
"1555204"	135.020658	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+K"	38.963158
"312493"	116.042717	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+H+K"	39.970434
"706496"	164.071467	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+H+K"	39.970434
"1458857"	68.013967	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H+K"	39.970434
"245998"	234.148826	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+ACN+H"	42.033826
"1222716"	138.091326	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+ACN+H"	42.033826
"1197851"	69.549301	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+ACN+2H"	43.041102
"191089"	237.08616	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+2Na-H"	44.97116
"633929"	333.14366	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+2Na-H"	44.97116
"1140714"	141.02866	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2Na-H"	44.97116
"176351"	119.046718	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+2Na"	45.978436
"620285"	167.075468	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+2Na"	45.978436
"1124887"	71.017968	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2Na"	45.978436
"1410973"	47.6810706666667	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H+2Na"	46.985712
"1444548"	143.070246	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H+HCOOH"	47.012746
"233149"	124.07974	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+3H2O+2H"	56.04448
"1523684"	157.12229	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+IsoProp+H"	61.06479
"421631"	127.033688	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+Na+K"	61.952376
"784810"	175.062438	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+Na+K"	61.952376
"1678226"	79.004938	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Na+K"	61.952376
"262925"	256.130768	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+ACN+Na"	64.015768
"1238186"	160.073268	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+ACN+Na"	64.015768
"1728006"	160.096793	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+NH4+HCOOH"	64.039293
"1192427"	55.0083846666667	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+3Na"	68.967654
"1664506"	165.052188	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Na+HCOOH"	68.994688
"171366"	269.03404	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+2K-H"	76.91904
"610195"	365.09154	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+2K-H"	76.91904
"1097991"	172.97654	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2K-H"	76.91904
"155170"	135.020658	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"2M+2K"	77.926316
"595702"	183.049408	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"3M+2K"	77.926316
"1080700"	86.991908	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2K"	77.926316
"1112451"	174.991092	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2K+H"	78.933592
"1347376"	175.078707	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+DMSO+H"	79.021207
"1010802"	179.117876	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2ACN+H"	83.060376
"1531117"	180.111508	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+IsoProp+Na+H"	84.054008
"993190"	90.062576	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+2ACN+2H"	84.067652
"1595354"	181.026128	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+K+HCOOH"	84.968628
"1423204"	211.057638	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+H+CF3COOH"	115.000138
"1161877"	110.575851	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+3ACN+2H"	125.094202
"1704137"	228.084185	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+NH4+CF3COOH"	132.026685
"1638695"	233.03958	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+Na+CF3COOH"	136.98208
"1586374"	249.01352	"C19249"	"24-Hexadienal;(EE)-24-Hexadienal"	"C6H8O"	"96.0575"	"M+K+CF3COOH"	152.95602
"810180"	179.1187	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M"	0
"983712"	160.10031	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-H2O-H"	-19.01839
"71958"	118.405190666667	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M-3H"	-3.021828
"507144"	178.111424	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M-3H"	-3.021828
"891507"	58.6989573333333	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-3H"	-3.021828
"14095"	178.111424	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M-2H"	-2.014552
"449642"	267.670774	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M-2H"	-2.014552
"827443"	88.552074	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-2H"	-2.014552
"84155"	357.230124	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M-H"	-1.007276
"530277"	536.348824	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M-H"	-1.007276
"910152"	178.111424	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-H"	-1.007276
"57715"	374.256671	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M-2H+NH4"	16.019271
"502401"	553.375371	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M-2H+NH4"	16.019271
"878614"	195.137971	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-2H+NH4"	16.019271
"46395"	379.212066	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M-2H+Na"	20.974666
"486685"	558.330766	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M-2H+Na"	20.974666
"862173"	200.093366	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-2H+Na"	20.974666
"1631705"	200.093366	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Na-2H"	20.974666
"107501"	196.099763	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M-H+Cl"	33.962126
"543056"	285.659113	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M-H+Cl"	33.962126
"931101"	106.540413	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-H+Cl"	33.962126
"270385"	393.206802	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+Cl"	34.969402
"660983"	572.325502	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+Cl"	34.969402
"1274844"	214.088102	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Cl"	34.969402
"19950"	395.186006	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M-2H+K"	36.948606
"456603"	574.304706	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M-2H+K"	36.948606
"836594"	216.067306	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-2H+K"	36.948606
"1556190"	216.067306	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+K-2H"	36.948606
"943711"	224.116894	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-H+HCOOH"	44.998194
"363260"	403.235601	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+HCOOH-H"	44.998201
"347874"	417.251251	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+Hac-H"	59.013851
"1492977"	238.132551	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Hac-H"	59.013851
"960966"	246.098851	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-H+NaCOOH"	66.980151
"112066"	214.088102	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+2Cl"	69.938804
"554909"	303.647452	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+2Cl"	69.938804
"1032457"	124.528752	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2Cl"	69.938804
"1245474"	258.037585	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Br"	78.918885
"1306826"	260.093572	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Cl+HCOOH"	80.974872
"1323232"	282.075529	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Cl+NaCOOH"	102.956829
"923776"	292.104286	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M-H+CF3COOH"	112.985586
"1300121"	328.080964	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Cl+CF3COOH"	148.962264
"1377914"	144.106024	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H-2H2O"	-35.012676
"1396143"	162.116	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H-H2O"	-17.0027
"292909"	359.244676	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+H"	1.007276
"687156"	538.363376	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+H"	1.007276
"1362775"	180.125976	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H"	1.007276
"132383"	180.125976	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+2H"	2.014552
"568297"	269.685326	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+2H"	2.014552
"1039646"	90.566626	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2H"	2.014552
"206818"	120.419742666667	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+3H"	3.021828
"645159"	180.125976	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+3H"	3.021828
"1167425"	60.7135093333333	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+3H"	3.021828
"435075"	376.271223	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+NH4"	18.033823
"788049"	555.389923	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+NH4"	18.033823
"1696497"	197.152523	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+NH4"	18.033823
"343603"	188.6392495	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+H+NH4"	19.041099
"736753"	278.1985995	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+H+NH4"	19.041099
"1489847"	99.0798995	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H+NH4"	19.041099
"405974"	381.226618	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+Na"	22.989218
"768064"	560.345318	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+Na"	22.989218
"1615067"	202.107918	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Na"	22.989218
"326928"	191.116947	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+H+Na"	23.996494
"719714"	280.676297	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+H+Na"	23.996494
"1474264"	101.557597	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H+Na"	23.996494
"1067638"	68.0408233333333	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2H+Na"	25.00377
"1271737"	212.152186	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+CH3OH+H"	33.033486
"384475"	397.200558	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+K"	38.963158
"752766"	576.319258	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+K"	38.963158
"1554943"	218.081858	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+K"	38.963158
"311996"	199.103917	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+H+K"	39.970434
"706961"	288.663267	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+H+K"	39.970434
"1457510"	109.544567	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H+K"	39.970434
"246108"	400.271226	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+ACN+H"	42.033826
"1222098"	221.152526	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+ACN+H"	42.033826
"1197232"	111.079901	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+ACN+2H"	43.041102
"190470"	403.20856	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+2Na-H"	44.97116
"634039"	582.32726	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+2Na-H"	44.97116
"1144104"	224.08986	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2Na-H"	44.97116
"176825"	202.107918	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+2Na"	45.978436
"623675"	291.667268	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+2Na"	45.978436
"1124997"	112.548568	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2Na"	45.978436
"1412178"	75.3681373333333	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H+2Na"	46.985712
"1444658"	226.131446	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H+HCOOH"	47.012746
"233259"	207.14094	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+3H2O+2H"	56.04448
"1523633"	240.18349	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+IsoProp+H"	61.06479
"423322"	210.094888	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+Na+K"	61.952376
"783830"	299.654238	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+Na+K"	61.952376
"1680160"	120.535538	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Na+K"	61.952376
"264126"	422.253168	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+ACN+Na"	64.015768
"1239025"	243.134468	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+ACN+Na"	64.015768
"1727790"	243.157993	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+NH4+HCOOH"	64.039293
"1192173"	82.6954513333333	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+3Na"	68.967654
"1664131"	248.113388	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Na+HCOOH"	68.994688
"170018"	435.15644	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+2K-H"	76.91904
"610305"	614.27514	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+2K-H"	76.91904
"1098467"	256.03774	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2K-H"	76.91904
"155159"	218.081858	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"2M+2K"	77.926316
"595205"	307.641208	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"3M+2K"	77.926316
"1075707"	128.522508	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2K"	77.926316
"1112561"	258.052292	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2K+H"	78.933592
"1346027"	258.139907	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+DMSO+H"	79.021207
"1010912"	262.179076	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2ACN+H"	83.060376
"1530133"	263.172708	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+IsoProp+Na+H"	84.054008
"995486"	131.593176	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+2ACN+2H"	84.067652
"1594371"	264.087328	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+K+HCOOH"	84.968628
"1423314"	294.118838	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+H+CF3COOH"	115.000138
"1160164"	152.106451	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+3ACN+2H"	125.094202
"1704247"	311.145385	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+NH4+CF3COOH"	132.026685
"1638805"	316.10078	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+Na+CF3COOH"	136.98208
"1586484"	332.07472	"C19250"	"Hexamethylphosphoramide;HMPA"	"C6H18N3OP"	"179.1187"	"M+K+CF3COOH"	152.95602
"804093"	276.0939	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M"	0
"987103"	257.07551	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-H2O-H"	-19.01839
"77536"	183.055324	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M-3H"	-3.021828
"517095"	275.086624	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M-3H"	-3.021828
"891617"	91.024024	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-3H"	-3.021828
"13474"	275.086624	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M-2H"	-2.014552
"449752"	413.133574	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M-2H"	-2.014552
"822086"	137.039674	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-2H"	-2.014552
"80984"	551.180524	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M-H"	-1.007276
"530387"	827.274424	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M-H"	-1.007276
"910877"	275.086624	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-H"	-1.007276
"62203"	568.207071	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M-2H+NH4"	16.019271
"501659"	844.300971	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M-2H+NH4"	16.019271
"879343"	292.113171	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-2H+NH4"	16.019271
"45782"	573.162466	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M-2H+Na"	20.974666
"486679"	849.256366	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M-2H+Na"	20.974666
"863663"	297.068566	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-2H+Na"	20.974666
"1631085"	297.068566	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Na-2H"	20.974666
"107611"	293.074963	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M-H+Cl"	33.962126
"548638"	431.121913	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M-H+Cl"	33.962126
"938868"	155.028013	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-H+Cl"	33.962126
"270865"	587.157202	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+Cl"	34.969402
"667660"	863.251102	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+Cl"	34.969402
"1274593"	311.063302	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Cl"	34.969402
"18607"	589.136406	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M-2H+K"	36.948606
"458169"	865.230306	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M-2H+K"	36.948606
"836704"	313.042506	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-2H+K"	36.948606
"1558003"	313.042506	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+K-2H"	36.948606
"946978"	321.092094	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-H+HCOOH"	44.998194
"361915"	597.186001	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+HCOOH-H"	44.998201
"347983"	611.201651	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+Hac-H"	59.013851
"1496820"	335.107751	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Hac-H"	59.013851
"960102"	343.074051	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-H+NaCOOH"	66.980151
"119831"	311.063302	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+2Cl"	69.938804
"563768"	449.110252	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+2Cl"	69.938804
"1029287"	173.016352	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2Cl"	69.938804
"1248864"	355.012785	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Br"	78.918885
"1306938"	357.068772	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Cl+HCOOH"	80.974872
"1322248"	379.050729	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Cl+NaCOOH"	102.956829
"923154"	389.079486	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M-H+CF3COOH"	112.985586
"1302783"	425.056164	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Cl+CF3COOH"	148.962264
"1378755"	241.081224	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H-2H2O"	-35.012676
"1397710"	259.0912	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H-H2O"	-17.0027
"296301"	553.195076	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+H"	1.007276
"690548"	829.288976	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+H"	1.007276
"1361792"	277.101176	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H"	1.007276
"132493"	277.101176	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+2H"	2.014552
"572418"	415.148126	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+2H"	2.014552
"1040486"	139.054226	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2H"	2.014552
"208751"	185.069876	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+3H"	3.021828
"645393"	277.101176	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+3H"	3.021828
"1166076"	93.038576	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+3H"	3.021828
"436278"	570.221623	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+NH4"	18.033823
"792899"	846.315523	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+NH4"	18.033823
"1695804"	294.127723	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+NH4"	18.033823
"345458"	285.6144495	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+H+NH4"	19.041099
"737596"	423.6613995	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+H+NH4"	19.041099
"1491659"	147.5674995	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H+NH4"	19.041099
"407178"	575.177018	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+Na"	22.989218
"769026"	851.270918	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+Na"	22.989218
"1617000"	299.083118	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Na"	22.989218
"327768"	288.092147	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+H+Na"	23.996494
"722134"	426.139097	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+H+Na"	23.996494
"1476888"	150.045197	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H+Na"	23.996494
"1068192"	100.36589	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2H+Na"	25.00377
"1272711"	309.127386	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+CH3OH+H"	33.033486
"390784"	591.150958	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+K"	38.963158
"752145"	867.244858	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+K"	38.963158
"1550915"	315.057058	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+K"	38.963158
"310279"	296.079117	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+H+K"	39.970434
"702701"	434.126067	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+H+K"	39.970434
"1458709"	158.032167	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H+K"	39.970434
"245126"	594.221626	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+ACN+H"	42.033826
"1218927"	318.127726	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+ACN+H"	42.033826
"1200624"	159.567501	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+ACN+2H"	43.041102
"191673"	597.15896	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+2Na-H"	44.97116
"634512"	873.25286	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+2Na-H"	44.97116
"1137654"	321.06506	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2Na-H"	44.97116
"176204"	299.083118	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+2Na"	45.978436
"617589"	437.130068	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+2Na"	45.978436
"1127294"	161.036168	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2Na"	45.978436
"1413504"	107.693204	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H+2Na"	46.985712
"1444772"	323.106646	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H+HCOOH"	47.012746
"234099"	304.11614	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+3H2O+2H"	56.04448
"1523505"	337.15869	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+IsoProp+H"	61.06479
"423679"	307.070088	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+Na+K"	61.952376
"785595"	445.117038	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+Na+K"	61.952376
"1679543"	169.023138	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Na+K"	61.952376
"266305"	616.203568	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+ACN+Na"	64.015768
"1240476"	340.109668	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+ACN+Na"	64.015768
"1727617"	340.133193	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+NH4+HCOOH"	64.039293
"1193865"	115.020518	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+3Na"	68.967654
"1665093"	345.088588	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Na+HCOOH"	68.994688
"172359"	629.10684	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+2K-H"	76.91904
"612000"	905.20074	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+2K-H"	76.91904
"1099675"	353.01294	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2K-H"	76.91904
"155390"	315.057058	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"2M+2K"	77.926316
"595805"	453.104008	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"3M+2K"	77.926316
"1079097"	177.010108	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2K"	77.926316
"1114253"	355.027492	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2K+H"	78.933592
"1349419"	355.115107	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+DMSO+H"	79.021207
"1011022"	359.154276	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2ACN+H"	83.060376
"1531337"	360.147908	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+IsoProp+Na+H"	84.054008
"996689"	180.080776	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+2ACN+2H"	84.067652
"1588283"	361.062528	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+K+HCOOH"	84.968628
"1424516"	391.094038	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+H+CF3COOH"	115.000138
"1158085"	200.594051	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+3ACN+2H"	125.094202
"1704357"	408.120585	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+NH4+CF3COOH"	132.026685
"1638915"	413.07598	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+Na+CF3COOH"	136.98208
"1586594"	429.04992	"C19251"	"Indeno123-cdpyrene"	"C22H12"	"276.0939"	"M+K+CF3COOH"	152.95602
"803839"	337.1346	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M"	0
"986849"	318.11621	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-H2O-H"	-19.01839
"69992"	223.749124	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M-3H"	-3.021828
"517205"	336.127324	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M-3H"	-3.021828
"881886"	111.370924	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-3H"	-3.021828
"11396"	336.127324	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M-2H"	-2.014552
"445488"	504.694624	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M-2H"	-2.014552
"820373"	167.560024	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-2H"	-2.014552
"82187"	673.261924	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M-H"	-1.007276
"530497"	1010.396524	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M-H"	-1.007276
"911272"	336.127324	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-H"	-1.007276
"62191"	690.288471	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M-2H+NH4"	16.019271
"502625"	1027.423071	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M-2H+NH4"	16.019271
"879737"	353.153871	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-2H+NH4"	16.019271
"46825"	695.243866	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M-2H+Na"	20.974666
"487087"	1032.378466	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M-2H+Na"	20.974666
"863893"	358.109266	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-2H+Na"	20.974666
"1631195"	358.109266	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Na-2H"	20.974666
"106992"	354.115663	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M-H+Cl"	33.962126
"541091"	522.682963	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M-H+Cl"	33.962126
"932418"	185.548363	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-H+Cl"	33.962126
"270975"	709.238602	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+Cl"	34.969402
"667770"	1046.373202	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+Cl"	34.969402
"1273608"	372.104002	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Cl"	34.969402
"17016"	711.217806	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M-2H+K"	36.948606
"457914"	1048.352406	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M-2H+K"	36.948606
"836814"	374.083206	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-2H+K"	36.948606
"1557384"	374.083206	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+K-2H"	36.948606
"945995"	382.132794	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-H+HCOOH"	44.998194
"363118"	719.267401	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+HCOOH-H"	44.998201
"347000"	733.283051	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+Hac-H"	59.013851
"1496930"	396.148451	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Hac-H"	59.013851
"959242"	404.114751	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-H+NaCOOH"	66.980151
"112650"	372.104002	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+2Cl"	69.938804
"563878"	540.671302	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+2Cl"	69.938804
"1030490"	203.536702	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2Cl"	69.938804
"1246787"	416.053485	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Br"	78.918885
"1305224"	418.109472	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Cl+HCOOH"	80.974872
"1321993"	440.091429	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Cl+NaCOOH"	102.956829
"915605"	450.120186	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M-H+CF3COOH"	112.985586
"1291583"	486.096864	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Cl+CF3COOH"	148.962264
"1373756"	302.121924	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H-2H2O"	-35.012676
"1391253"	320.1319	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H-H2O"	-17.0027
"296411"	675.276476	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+H"	1.007276
"688838"	1012.411076	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+H"	1.007276
"1362267"	338.141876	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H"	1.007276
"131510"	338.141876	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+2H"	2.014552
"571434"	506.709176	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+2H"	2.014552
"1040960"	169.574576	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2H"	2.014552
"208861"	225.763676	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+3H"	3.021828
"645139"	338.141876	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+3H"	3.021828
"1166915"	113.385476	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+3H"	3.021828
"435660"	692.303023	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+NH4"	18.033823
"793009"	1029.437623	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+NH4"	18.033823
"1695174"	355.168423	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+NH4"	18.033823
"344920"	346.6551495	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+H+NH4"	19.041099
"738070"	515.2224495	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+H+NH4"	19.041099
"1491161"	178.0878495	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H+NH4"	19.041099
"407289"	697.258418	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+Na"	22.989218
"769013"	1034.393018	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+Na"	22.989218
"1617109"	360.123818	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Na"	22.989218
"328606"	349.132847	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+H+Na"	23.996494
"721758"	517.700147	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+H+Na"	23.996494
"1476792"	180.565547	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H+Na"	23.996494
"1068309"	120.71279	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2H+Na"	25.00377
"1272577"	370.168086	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+CH3OH+H"	33.033486
"380321"	713.232358	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+K"	38.963158
"745690"	1050.366958	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+K"	38.963158
"1547743"	376.097758	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+K"	38.963158
"308201"	357.119817	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+H+K"	39.970434
"699530"	525.687117	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+H+K"	39.970434
"1458819"	188.552517	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H+K"	39.970434
"246329"	716.303026	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+ACN+H"	42.033826
"1219037"	379.168426	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+ACN+H"	42.033826
"1200734"	190.087851	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+ACN+2H"	43.041102
"191419"	719.24036	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+2Na-H"	44.97116
"634258"	1056.37496	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+2Na-H"	44.97116
"1137764"	382.10576	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2Na-H"	44.97116
"175950"	360.123818	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+2Na"	45.978436
"617333"	528.691118	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+2Na"	45.978436
"1124124"	191.556518	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2Na"	45.978436
"1412031"	128.040104	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H+2Na"	46.985712
"1444150"	384.147346	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H+HCOOH"	47.012746
"234938"	365.15684	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+3H2O+2H"	56.04448
"1523651"	398.19939	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+IsoProp+H"	61.06479
"423056"	368.110788	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+Na+K"	61.952376
"785391"	536.678088	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+Na+K"	61.952376
"1678924"	199.543488	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Na+K"	61.952376
"265803"	738.284968	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+ACN+Na"	64.015768
"1238884"	401.150368	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+ACN+Na"	64.015768
"1726311"	401.173893	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+NH4+HCOOH"	64.039293
"1192396"	135.367418	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+3Na"	68.967654
"1664837"	406.129288	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Na+HCOOH"	68.994688
"169873"	751.18824	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+2K-H"	76.91904
"611624"	1088.32284	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+2K-H"	76.91904
"1097955"	414.05364	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2K-H"	76.91904
"154042"	376.097758	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"2M+2K"	77.926316
"596520"	544.665058	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"3M+2K"	77.926316
"1073011"	207.530458	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2K"	77.926316
"1113510"	416.068192	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2K+H"	78.933592
"1346611"	416.155807	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+DMSO+H"	79.021207
"1008946"	420.194976	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2ACN+H"	83.060376
"1534727"	421.188608	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+IsoProp+Na+H"	84.054008
"994613"	210.601126	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+2ACN+2H"	84.067652
"1587784"	422.103228	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+K+HCOOH"	84.968628
"1425719"	452.134738	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+H+CF3COOH"	115.000138
"1158195"	231.114401	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+3ACN+2H"	125.094202
"1704467"	469.161285	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+NH4+CF3COOH"	132.026685
"1639025"	474.11668	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+Na+CF3COOH"	136.98208
"1586704"	490.09062	"C19252"	"Magenta;Fuchsin;Rosaniline hydrochloride"	"C20H19N3HCl"	"337.1346"	"M+K+CF3COOH"	152.95602
"805042"	197.0953	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M"	0
"986230"	178.07691	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-H2O-H"	-19.01839
"73382"	130.389590666667	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M-3H"	-3.021828
"514035"	196.088024	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M-3H"	-3.021828
"883089"	64.6911573333333	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-3H"	-3.021828
"14422"	196.088024	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M-2H"	-2.014552
"446691"	294.635674	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M-2H"	-2.014552
"822305"	97.540374	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-2H"	-2.014552
"85577"	393.183324	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M-H"	-1.007276
"528420"	590.278624	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M-H"	-1.007276
"910482"	196.088024	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-H"	-1.007276
"61818"	410.209871	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M-2H+NH4"	16.019271
"502487"	607.305171	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M-2H+NH4"	16.019271
"879845"	213.114571	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-2H+NH4"	16.019271
"46808"	415.165266	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M-2H+Na"	20.974666
"486932"	612.260566	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M-2H+Na"	20.974666
"862261"	218.069966	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-2H+Na"	20.974666
"1632157"	218.069966	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Na-2H"	20.974666
"107103"	214.076363	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M-H+Cl"	33.962126
"541201"	312.624013	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M-H+Cl"	33.962126
"936901"	115.528713	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-H+Cl"	33.962126
"267805"	429.160002	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+Cl"	34.969402
"664600"	626.255302	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+Cl"	34.969402
"1274815"	232.064702	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Cl"	34.969402
"18464"	431.139206	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M-2H+K"	36.948606
"456685"	628.234506	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M-2H+K"	36.948606
"836924"	234.043906	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-2H+K"	36.948606
"1556765"	234.043906	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+K-2H"	36.948606
"943553"	242.093494	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-H+HCOOH"	44.998194
"362377"	439.188801	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+HCOOH-H"	44.998201
"346380"	453.204451	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+Hac-H"	59.013851
"1500320"	256.109151	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Hac-H"	59.013851
"960932"	264.075451	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-H+NaCOOH"	66.980151
"113853"	232.064702	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+2Cl"	69.938804
"563624"	330.612352	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+2Cl"	69.938804
"1031694"	133.517052	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2Cl"	69.938804
"1244709"	276.014185	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Br"	78.918885
"1308251"	278.070172	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Cl+HCOOH"	80.974872
"1322465"	300.052129	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Cl+NaCOOH"	102.956829
"917901"	310.080886	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M-H+CF3COOH"	112.985586
"1289500"	346.057564	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Cl+CF3COOH"	148.962264
"1372773"	162.082624	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H-2H2O"	-35.012676
"1384436"	180.0926	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H-H2O"	-17.0027
"296157"	395.197876	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+H"	1.007276
"687852"	592.293176	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+H"	1.007276
"1363104"	198.102576	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H"	1.007276
"133806"	198.102576	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+2H"	2.014552
"571180"	296.650226	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+2H"	2.014552
"1039246"	99.554926	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2H"	2.014552
"209700"	132.404142666667	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+3H"	3.021828
"645980"	198.102576	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+3H"	3.021828
"1166661"	66.7057093333333	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+3H"	3.021828
"435770"	412.224423	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+NH4"	18.033823
"793119"	609.319723	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+NH4"	18.033823
"1695284"	215.129123	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+NH4"	18.033823
"344666"	206.6158495	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+H+NH4"	19.041099
"737330"	305.1634995	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+H+NH4"	19.041099
"1490906"	108.0681995	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H+NH4"	19.041099
"406670"	417.179818	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+Na"	22.989218
"768025"	614.275118	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+Na"	22.989218
"1617217"	220.084518	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Na"	22.989218
"329324"	209.093547	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+H+Na"	23.996494
"721747"	307.641197	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+H+Na"	23.996494
"1476660"	110.545897	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H+Na"	23.996494
"1068435"	74.0330233333333	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2H+Na"	25.00377
"1271701"	230.128786	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+CH3OH+H"	33.033486
"381523"	433.153758	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+K"	38.963158
"745800"	630.249058	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+K"	38.963158
"1547853"	236.058458	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+K"	38.963158
"306123"	217.080517	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+H+K"	39.970434
"700732"	315.628167	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+H+K"	39.970434
"1457835"	118.532867	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H+K"	39.970434
"246439"	436.224426	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+ACN+H"	42.033826
"1220240"	239.129126	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+ACN+H"	42.033826
"1200844"	120.068201	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+ACN+2H"	43.041102
"191529"	439.16176	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+2Na-H"	44.97116
"634368"	636.25706	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+2Na-H"	44.97116
"1136780"	242.06646	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2Na-H"	44.97116
"178247"	220.084518	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+2Na"	45.978436
"618536"	318.632168	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+2Na"	45.978436
"1123141"	121.536868	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2Na"	45.978436
"1411412"	81.3603373333333	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H+2Na"	46.985712
"1442802"	244.108046	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H+HCOOH"	47.012746
"232497"	225.11754	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+3H2O+2H"	56.04448
"1522018"	258.16009	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+IsoProp+H"	61.06479
"422071"	228.071488	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+Na+K"	61.952376
"784162"	326.619138	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+Na+K"	61.952376
"1677938"	129.523838	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Na+K"	61.952376
"265063"	458.206368	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+ACN+Na"	64.015768
"1239725"	261.111068	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+ACN+Na"	64.015768
"1727515"	261.134593	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+NH4+HCOOH"	64.039293
"1193476"	88.6876513333333	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+3Na"	68.967654
"1664585"	266.089988	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Na+HCOOH"	68.994688
"172172"	471.10964	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+2K-H"	76.91904
"612507"	668.20494	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+2K-H"	76.91904
"1099402"	274.01434	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2K-H"	76.91904
"154516"	236.058458	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"2M+2K"	77.926316
"596509"	334.606108	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"3M+2K"	77.926316
"1073121"	137.510808	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2K"	77.926316
"1113984"	276.028892	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2K+H"	78.933592
"1347085"	276.116507	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+DMSO+H"	79.021207
"1010149"	280.155676	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2ACN+H"	83.060376
"1534837"	281.149308	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+IsoProp+Na+H"	84.054008
"996910"	140.581476	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+2ACN+2H"	84.067652
"1589232"	282.063928	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+K+HCOOH"	84.968628
"1425829"	312.095438	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+H+CF3COOH"	115.000138
"1160491"	161.094751	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+3ACN+2H"	125.094202
"1704577"	329.121985	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+NH4+CF3COOH"	132.026685
"1639135"	334.07738	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+Na+CF3COOH"	136.98208
"1586814"	350.05132	"C19253"	"2-Amino-3-methyl-9H-pyrido23-bindole;MeA-alpha-C"	"C12H11N3"	"197.0953"	"M+K+CF3COOH"	152.95602
"813904"	212.1062	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M"	0
"984155"	193.08781	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-H2O-H"	-19.01839
"73492"	140.396857333333	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M-3H"	-3.021828
"514145"	211.098924	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M-3H"	-3.021828
"888667"	69.6947906666667	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-3H"	-3.021828
"10521"	211.098924	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M-2H"	-2.014552
"450083"	317.152024	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M-2H"	-2.014552
"823510"	105.045824	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-2H"	-2.014552
"87876"	423.205124	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M-H"	-1.007276
"527437"	635.311324	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M-H"	-1.007276
"910472"	211.098924	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-H"	-1.007276
"61563"	440.231671	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M-2H+NH4"	16.019271
"500167"	652.337871	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M-2H+NH4"	16.019271
"878817"	228.125471	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-2H+NH4"	16.019271
"46473"	445.187066	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M-2H+Na"	20.974666
"484702"	657.293266	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M-2H+Na"	20.974666
"862128"	233.080866	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-2H+Na"	20.974666
"1633118"	233.080866	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Na-2H"	20.974666
"107577"	229.087263	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M-H+Cl"	33.962126
"543499"	335.140363	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M-H+Cl"	33.962126
"932639"	123.034163	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-H+Cl"	33.962126
"267916"	459.181802	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+Cl"	34.969402
"667990"	671.288002	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+Cl"	34.969402
"1274926"	247.075602	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Cl"	34.969402
"21854"	461.161006	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M-2H+K"	36.948606
"456795"	673.267206	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M-2H+K"	36.948606
"833504"	249.054806	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-2H+K"	36.948606
"1563803"	249.054806	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+K-2H"	36.948606
"950593"	257.104394	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-H+HCOOH"	44.998194
"367715"	469.210601	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+HCOOH-H"	44.998201
"349775"	483.226251	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+Hac-H"	59.013851
"1494962"	271.120051	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Hac-H"	59.013851
"962503"	279.086351	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-H+NaCOOH"	66.980151
"115786"	247.075602	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+2Cl"	69.938804
"561912"	353.128702	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+2Cl"	69.938804
"1025244"	141.022502	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2Cl"	69.938804
"1247009"	291.025085	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Br"	78.918885
"1305080"	293.081072	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Cl+HCOOH"	80.974872
"1322212"	315.063029	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Cl+NaCOOH"	102.956829
"919104"	325.091786	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M-H+CF3COOH"	112.985586
"1298003"	361.068464	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Cl+CF3COOH"	148.962264
"1372883"	177.093524	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H-2H2O"	-35.012676
"1385275"	195.1035	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H-H2O"	-17.0027
"296996"	425.219676	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+H"	1.007276
"687962"	637.325876	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+H"	1.007276
"1364309"	213.113476	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H"	1.007276
"137564"	213.113476	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+2H"	2.014552
"575665"	319.166576	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+2H"	2.014552
"1046652"	107.060376	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2H"	2.014552
"208719"	142.411409333333	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+3H"	3.021828
"650833"	213.113476	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+3H"	3.021828
"1167863"	71.7093426666667	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+3H"	3.021828
"438435"	442.246223	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+NH4"	18.033823
"799068"	654.352423	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+NH4"	18.033823
"1693207"	230.140023	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+NH4"	18.033823
"342583"	221.6267495	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+H+NH4"	19.041099
"737561"	327.6798495	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+H+NH4"	19.041099
"1490891"	115.5736495	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H+NH4"	19.041099
"407141"	447.201618	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+Na"	22.989218
"765948"	659.307818	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+Na"	22.989218
"1616599"	235.095418	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Na"	22.989218
"328099"	224.104447	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+H+Na"	23.996494
"720399"	330.157547	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+H+Na"	23.996494
"1474949"	118.051347	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H+Na"	23.996494
"1066124"	79.0366566666667	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2H+Na"	25.00377
"1270718"	245.139686	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+CH3OH+H"	33.033486
"381633"	463.175558	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+K"	38.963158
"747732"	675.281758	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+K"	38.963158
"1551610"	251.069358	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+K"	38.963158
"305139"	232.091417	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+H+K"	39.970434
"703035"	338.144517	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+H+K"	39.970434
"1453571"	126.038317	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H+K"	39.970434
"237802"	466.246226	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+ACN+H"	42.033826
"1213790"	254.140026	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+ACN+H"	42.033826
"1197673"	127.573651	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+ACN+2H"	43.041102
"192731"	469.18356	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+2Na-H"	44.97116
"632292"	681.28976	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+2Na-H"	44.97116
"1133974"	257.07736	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2Na-H"	44.97116
"176536"	235.095418	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+2Na"	45.978436
"616827"	341.148518	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+2Na"	45.978436
"1124344"	129.042318	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2Na"	45.978436
"1412260"	86.3639706666667	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H+2Na"	46.985712
"1444741"	259.118946	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H+HCOOH"	47.012746
"234679"	240.12844	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+3H2O+2H"	56.04448
"1523915"	273.17099	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+IsoProp+H"	61.06479
"422545"	243.082388	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+Na+K"	61.952376
"782446"	349.135488	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+Na+K"	61.952376
"1678048"	137.029288	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Na+K"	61.952376
"265666"	488.228168	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+ACN+Na"	64.015768
"1239467"	276.121968	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+ACN+Na"	64.015768
"1726895"	276.145493	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+NH4+HCOOH"	64.039293
"1193707"	93.6912846666667	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+3Na"	68.967654
"1664696"	281.100888	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Na+HCOOH"	68.994688
"171555"	501.13144	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+2K-H"	76.91904
"611476"	713.23764	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+2K-H"	76.91904
"1097079"	289.02524	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2K-H"	76.91904
"151343"	251.069358	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"2M+2K"	77.926316
"595278"	357.122458	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"3M+2K"	77.926316
"1080884"	145.016258	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2K"	77.926316
"1113730"	291.039792	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2K+H"	78.933592
"1341728"	291.127407	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+DMSO+H"	79.021207
"1008073"	295.166576	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2ACN+H"	83.060376
"1532760"	296.160208	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+IsoProp+Na+H"	84.054008
"997020"	148.086926	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+2ACN+2H"	84.067652
"1590435"	297.074828	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+K+HCOOH"	84.968628
"1423752"	327.106338	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+H+CF3COOH"	115.000138
"1160601"	168.600201	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+3ACN+2H"	125.094202
"1701408"	344.132885	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+NH4+CF3COOH"	132.026685
"1639245"	349.08828	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+Na+CF3COOH"	136.98208
"1586924"	365.06222	"C19254"	"MeIQ;2-Amino-34-dimethylimidazo45-fquinoline"	"C12H12N4"	"212.1062"	"M+K+CF3COOH"	152.95602
"804168"	213.1014	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M"	0
"984265"	194.08301	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-H2O-H"	-19.01839
"75789"	141.060324	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M-3H"	-3.021828
"514255"	212.094124	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M-3H"	-3.021828
"888777"	70.026524	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-3H"	-3.021828
"9538"	212.094124	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M-2H"	-2.014552
"446913"	318.644824	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M-2H"	-2.014552
"824713"	105.543424	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-2H"	-2.014552
"87986"	425.195524	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M-H"	-1.007276
"527547"	638.296924	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M-H"	-1.007276
"909973"	212.094124	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-H"	-1.007276
"61794"	442.222071	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M-2H+NH4"	16.019271
"500515"	655.323471	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M-2H+NH4"	16.019271
"877952"	229.120671	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-2H+NH4"	16.019271
"45725"	447.177466	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M-2H+Na"	20.974666
"485776"	660.278866	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M-2H+Na"	20.974666
"862844"	234.076066	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-2H+Na"	20.974666
"1632617"	234.076066	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Na-2H"	20.974666
"107320"	230.082463	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M-H+Cl"	33.962126
"539236"	336.633163	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M-H+Cl"	33.962126
"932749"	123.531763	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-H+Cl"	33.962126
"270212"	461.172202	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+Cl"	34.969402
"661781"	674.273602	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+Cl"	34.969402
"1278316"	248.070802	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Cl"	34.969402
"16739"	463.151406	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M-2H+K"	36.948606
"455932"	676.252806	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M-2H+K"	36.948606
"833162"	250.050006	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-2H+K"	36.948606
"1555653"	250.050006	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+K-2H"	36.948606
"948515"	258.099594	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-H+HCOOH"	44.998194
"363448"	471.201001	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+HCOOH-H"	44.998201
"345981"	485.216651	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+Hac-H"	59.013851
"1496166"	272.115251	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Hac-H"	59.013851
"959452"	280.081551	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-H+NaCOOH"	66.980151
"114800"	248.070802	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+2Cl"	69.938804
"559835"	354.621502	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+2Cl"	69.938804
"1023531"	141.520102	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2Cl"	69.938804
"1248212"	292.020285	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Br"	78.918885
"1305555"	294.076272	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Cl+HCOOH"	80.974872
"1322322"	316.058229	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Cl+NaCOOH"	102.956829
"917027"	326.086986	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M-H+CF3COOH"	112.985586
"1294830"	362.063664	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Cl+CF3COOH"	148.962264
"1370803"	178.088724	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H-2H2O"	-35.012676
"1389393"	196.0987	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H-H2O"	-17.0027
"285801"	427.210076	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+H"	1.007276
"688800"	640.311476	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+H"	1.007276
"1364419"	214.108676	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H"	1.007276
"137309"	214.108676	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+2H"	2.014552
"575775"	320.659376	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+2H"	2.014552
"1045669"	107.557976	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2H"	2.014552
"209194"	143.074876	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+3H"	3.021828
"650943"	214.108676	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+3H"	3.021828
"1165420"	72.041076	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+3H"	3.021828
"438545"	444.236623	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+NH4"	18.033823
"800271"	657.338023	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+NH4"	18.033823
"1693681"	231.135223	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+NH4"	18.033823
"342693"	222.6219495	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+H+NH4"	19.041099
"737669"	329.1726495	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+H+NH4"	19.041099
"1491851"	116.0712495	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H+NH4"	19.041099
"406887"	449.192018	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+Na"	22.989218
"766058"	662.293418	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+Na"	22.989218
"1616345"	236.090618	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Na"	22.989218
"328696"	225.099647	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+H+Na"	23.996494
"721482"	331.650347	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+H+Na"	23.996494
"1475667"	118.548947	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H+Na"	23.996494
"1066234"	79.36839	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2H+Na"	25.00377
"1270099"	246.134886	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+CH3OH+H"	33.033486
"383930"	465.165958	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+K"	38.963158
"748206"	678.267358	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+K"	38.963158
"1552448"	252.064558	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+K"	38.963158
"308529"	233.086617	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+H+K"	39.970434
"704238"	339.637317	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+H+K"	39.970434
"1454774"	126.535917	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H+K"	39.970434
"239005"	468.236626	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+ACN+H"	42.033826
"1213900"	255.135226	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+ACN+H"	42.033826
"1198877"	128.071251	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+ACN+2H"	43.041102
"193204"	471.17396	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+2Na-H"	44.97116
"632037"	684.27536	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+2Na-H"	44.97116
"1135905"	258.07256	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2Na-H"	44.97116
"177010"	236.090618	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+2Na"	45.978436
"616937"	342.641318	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+2Na"	45.978436
"1124453"	129.539918	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2Na"	45.978436
"1410902"	86.695704	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H+2Na"	46.985712
"1442297"	260.114146	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H+HCOOH"	47.012746
"232723"	241.12364	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+3H2O+2H"	56.04448
"1521512"	274.16619	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+IsoProp+H"	61.06479
"422289"	244.077588	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+Na+K"	61.952376
"783649"	350.628288	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+Na+K"	61.952376
"1678156"	137.526888	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Na+K"	61.952376
"265043"	490.218568	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+ACN+Na"	64.015768
"1238843"	277.117168	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+ACN+Na"	64.015768
"1727245"	277.140693	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+NH4+HCOOH"	64.039293
"1193208"	94.023018	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+3Na"	68.967654
"1663708"	282.096088	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Na+HCOOH"	68.994688
"171912"	503.12184	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+2K-H"	76.91904
"611097"	716.22324	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+2K-H"	76.91904
"1094637"	290.02044	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2K-H"	76.91904
"151453"	252.064558	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"2M+2K"	77.926316
"593931"	358.615258	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"3M+2K"	77.926316
"1073341"	145.513858	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2K"	77.926316
"1105455"	292.034992	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2K+H"	78.933592
"1345119"	292.122607	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+DMSO+H"	79.021207
"1009277"	296.161776	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2ACN+H"	83.060376
"1527402"	297.155408	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+IsoProp+Na+H"	84.054008
"991661"	148.584526	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+2ACN+2H"	84.067652
"1587991"	298.070028	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+K+HCOOH"	84.968628
"1423862"	328.101538	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+H+CF3COOH"	115.000138
"1147711"	169.097801	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+3ACN+2H"	125.094202
"1701518"	345.128085	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+NH4+CF3COOH"	132.026685
"1639355"	350.08348	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+Na+CF3COOH"	136.98208
"1583754"	366.05742	"C19255"	"MeIQx;8-Methyl-IQX;2-Amino-38-dimethylimidazo45-fquinoxaline"	"C11H11N5"	"213.1014"	"M+K+CF3COOH"	152.95602
"804278"	304.0745	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M"	0
"986562"	285.05611	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-H2O-H"	-19.01839
"76992"	201.709057333333	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M-3H"	-3.021828
"514365"	303.067224	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M-3H"	-3.021828
"888887"	100.350890666667	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-3H"	-3.021828
"9648"	303.067224	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H"	-2.014552
"447023"	455.104474	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H"	-2.014552
"824823"	151.029974	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-2H"	-2.014552
"88096"	607.141724	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M-H"	-1.007276
"527657"	911.216224	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M-H"	-1.007276
"911300"	303.067224	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-H"	-1.007276
"62391"	624.168271	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+NH4"	16.019271
"500502"	928.242771	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+NH4"	16.019271
"879273"	320.093771	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+NH4"	16.019271
"46729"	629.123666	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+Na"	20.974666
"486372"	933.198166	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+Na"	20.974666
"863805"	325.049166	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+Na"	20.974666
"1633091"	325.049166	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Na-2H"	20.974666
"107430"	321.055563	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M-H+Cl"	33.962126
"541532"	473.092813	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M-H+Cl"	33.962126
"935046"	169.018313	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-H+Cl"	33.962126
"270322"	643.118402	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+Cl"	34.969402
"662377"	947.192902	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+Cl"	34.969402
"1274413"	339.043902	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl"	34.969402
"17456"	645.097606	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+K"	36.948606
"457505"	949.172106	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+K"	36.948606
"835427"	341.023106	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+K"	36.948606
"1556851"	341.023106	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+K-2H"	36.948606
"948625"	349.072694	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-H+HCOOH"	44.998194
"365016"	653.147201	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+HCOOH-H"	44.998201
"346459"	667.162851	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+Hac-H"	59.013851
"1497733"	363.088351	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Hac-H"	59.013851
"960900"	371.054651	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-H+NaCOOH"	66.980151
"114181"	339.043902	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Cl"	69.938804
"563834"	491.081152	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Cl"	69.938804
"1028744"	187.006652	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2Cl"	69.938804
"1249416"	382.993385	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Br"	78.918885
"1309675"	385.049372	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+HCOOH"	80.974872
"1322797"	407.031329	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+NaCOOH"	102.956829
"918230"	417.060086	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M-H+CF3COOH"	112.985586
"1292754"	453.036764	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+CF3COOH"	148.962264
"1372007"	269.061824	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H-2H2O"	-35.012676
"1383670"	287.0718	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H-H2O"	-17.0027
"290284"	609.156276	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+H"	1.007276
"676015"	913.230776	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+H"	1.007276
"1352486"	305.081776	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H"	1.007276
"138150"	305.081776	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+2H"	2.014552
"574792"	457.119026	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+2H"	2.014552
"1045779"	153.044526	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2H"	2.014552
"208575"	203.723609333333	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+3H"	3.021828
"653240"	305.081776	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+3H"	3.021828
"1166623"	102.365442666667	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+3H"	3.021828
"438656"	626.182823	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+NH4"	18.033823
"800381"	930.257323	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+NH4"	18.033823
"1693062"	322.108323	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4"	18.033823
"343165"	313.5950495	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+NH4"	19.041099
"737779"	465.6322995	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+NH4"	19.041099
"1492324"	161.5577995	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H+NH4"	19.041099
"407361"	631.138218	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+Na"	22.989218
"767260"	935.212718	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+Na"	22.989218
"1617547"	327.063718	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Na"	22.989218
"328679"	316.072747	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+Na"	23.996494
"722278"	468.109997	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+Na"	23.996494
"1476624"	164.035497	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H+Na"	23.996494
"1062694"	109.692756666667	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2H+Na"	25.00377
"1269114"	337.107986	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+CH3OH+H"	33.033486
"384040"	647.112158	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+K"	38.963158
"748316"	951.186658	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+K"	38.963158
"1550371"	343.037658	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+K"	38.963158
"309733"	324.059717	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+K"	39.970434
"705076"	476.096967	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+K"	39.970434
"1457071"	172.022467	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H+K"	39.970434
"238022"	650.182826	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+ACN+H"	42.033826
"1214374"	346.108326	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+H"	42.033826
"1197894"	173.557801	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+2H"	43.041102
"192949"	653.12016	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Na-H"	44.97116
"632512"	957.19466	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Na-H"	44.97116
"1137107"	349.04566	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2Na-H"	44.97116
"178213"	327.063718	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Na"	45.978436
"617775"	479.100968	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Na"	45.978436
"1123470"	175.026468	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2Na"	45.978436
"1412104"	117.020070666667	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H+2Na"	46.985712
"1443498"	351.087246	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H+HCOOH"	47.012746
"233560"	332.09674	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+3H2O+2H"	56.04448
"1521987"	365.13929	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+IsoProp+H"	61.06479
"423491"	335.050688	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+Na+K"	61.952376
"784729"	487.087938	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+Na+K"	61.952376
"1679966"	183.013438	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+K"	61.952376
"265880"	672.164768	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+ACN+Na"	64.015768
"1239924"	368.090268	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+Na"	64.015768
"1727719"	368.113793	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4+HCOOH"	64.039293
"1194009"	124.347384666667	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+3Na"	68.967654
"1664183"	373.069188	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+HCOOH"	68.994688
"172386"	685.06804	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+2K-H"	76.91904
"610722"	989.14254	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+2K-H"	76.91904
"1094747"	380.99354	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2K-H"	76.91904
"152656"	343.037658	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"2M+2K"	77.926316
"592218"	495.074908	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"3M+2K"	77.926316
"1075637"	191.000408	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2K"	77.926316
"1105565"	383.008092	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2K+H"	78.933592
"1341949"	383.095707	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+DMSO+H"	79.021207
"1009387"	387.134876	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2ACN+H"	83.060376
"1526419"	388.128508	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+IsoProp+Na+H"	84.054008
"990433"	194.071076	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+2ACN+2H"	84.067652
"1591748"	389.043128	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+K+HCOOH"	84.968628
"1423972"	419.074638	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+H+CF3COOH"	115.000138
"1149886"	214.584351	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+3ACN+2H"	125.094202
"1704908"	436.101185	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4+CF3COOH"	132.026685
"1639465"	441.05658	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+CF3COOH"	136.98208
"1583864"	457.03052	"C19256"	"Merphalan;Sarcolysin"	"C13H18Cl2N2O2"	"304.0745"	"M+K+CF3COOH"	152.95602
"813136"	57.0578	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M"	0
"988859"	38.03941	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-H2O-H"	-19.01839
"76739"	37.0312573333333	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M-3H"	-3.021828
"517760"	56.050524	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M-3H"	-3.021828
"894344"	18.0119906666667	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-3H"	-3.021828
"7572"	56.050524	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M-2H"	-2.014552
"448226"	84.579424	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M-2H"	-2.014552
"822747"	27.521624	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-2H"	-2.014552
"88206"	113.108324	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M-H"	-1.007276
"528860"	170.166124	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M-H"	-1.007276
"910925"	56.050524	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-H"	-1.007276
"62340"	130.134871	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M-2H+NH4"	16.019271
"501344"	187.192671	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M-2H+NH4"	16.019271
"879143"	73.077071	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-2H+NH4"	16.019271
"45098"	135.090266	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M-2H+Na"	20.974666
"486117"	192.148066	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M-2H+Na"	20.974666
"863918"	78.032466	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-2H+Na"	20.974666
"1633852"	78.032466	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Na-2H"	20.974666
"108999"	74.038863	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M-H+Cl"	33.962126
"541644"	102.567763	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M-H+Cl"	33.962126
"936250"	45.509963	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-H+Cl"	33.962126
"274806"	149.085002	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+Cl"	34.969402
"668320"	206.142802	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+Cl"	34.969402
"1278536"	92.027202	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Cl"	34.969402
"22185"	151.064206	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M-2H+K"	36.948606
"459560"	208.122006	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M-2H+K"	36.948606
"837360"	94.006406	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-2H+K"	36.948606
"1560852"	94.006406	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+K-2H"	36.948606
"946547"	102.055994	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-H+HCOOH"	44.998194
"364033"	159.113801	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+HCOOH-H"	44.998201
"345966"	173.129451	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+Hac-H"	59.013851
"1497114"	116.071651	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Hac-H"	59.013851
"963928"	124.037951	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-H+NaCOOH"	66.980151
"120489"	92.027202	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+2Cl"	69.938804
"565158"	120.556102	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+2Cl"	69.938804
"1031042"	63.498302	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2Cl"	69.938804
"1249526"	135.976685	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Br"	78.918885
"1308692"	138.032672	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Cl+HCOOH"	80.974872
"1322179"	160.014629	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Cl+NaCOOH"	102.956829
"921622"	170.043386	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M-H+CF3COOH"	112.985586
"1296144"	206.020064	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Cl+CF3COOH"	148.962264
"1372118"	22.045124	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H-2H2O"	-35.012676
"1387790"	40.0551	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H-H2O"	-17.0027
"289301"	115.122876	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+H"	1.007276
"678075"	172.180676	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+H"	1.007276
"1352962"	58.065076	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H"	1.007276
"136435"	58.065076	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+2H"	2.014552
"572716"	86.593976	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+2H"	2.014552
"1048075"	29.536176	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2H"	2.014552
"211602"	39.0458093333333	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+3H"	3.021828
"651163"	58.065076	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+3H"	3.021828
"1167465"	20.0265426666667	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+3H"	3.021828
"437307"	132.149423	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+NH4"	18.033823
"799397"	189.207223	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+NH4"	18.033823
"1694631"	75.091623	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+NH4"	18.033823
"341451"	66.5783495	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+H+NH4"	19.041099
"732780"	95.1072495	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+H+NH4"	19.041099
"1484413"	38.0494495	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H+NH4"	19.041099
"399812"	137.104818	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+Na"	22.989218
"759715"	194.162618	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+Na"	22.989218
"1607813"	80.047018	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Na"	22.989218
"324411"	69.056047	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+H+Na"	23.996494
"713551"	97.584947	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+H+Na"	23.996494
"1474664"	40.527147	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H+Na"	23.996494
"1062803"	27.3538566666667	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2H+Na"	25.00377
"1269223"	90.091286	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+CH3OH+H"	33.033486
"384150"	153.078758	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+K"	38.963158
"752803"	210.136558	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+K"	38.963158
"1555060"	96.020958	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+K"	38.963158
"309479"	77.043017	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+H+K"	39.970434
"706768"	105.571917	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+H+K"	39.970434
"1461214"	48.514117	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H+K"	39.970434
"241411"	156.149426	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+ACN+H"	42.033826
"1214848"	99.091626	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+ACN+H"	42.033826
"1199098"	50.049451	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+ACN+2H"	43.041102
"195248"	159.08676	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+2Na-H"	44.97116
"636998"	216.14456	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+2Na-H"	44.97116
"1139406"	102.02896	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2Na-H"	44.97116
"181605"	80.047018	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+2Na"	45.978436
"623354"	108.575918	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+2Na"	45.978436
"1123580"	51.518118	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2Na"	45.978436
"1412462"	34.6811706666667	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H+2Na"	46.985712
"1443610"	104.070546	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H+HCOOH"	47.012746
"233792"	85.08004	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+3H2O+2H"	56.04448
"1522221"	118.12259	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+IsoProp+H"	61.06479
"423361"	88.033988	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+Na+K"	61.952376
"784240"	116.562888	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+Na+K"	61.952376
"1681049"	59.505088	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Na+K"	61.952376
"264542"	178.131368	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+ACN+Na"	64.015768
"1240887"	121.073568	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+ACN+Na"	64.015768
"1727715"	121.097093	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+NH4+HCOOH"	64.039293
"1193554"	42.0084846666667	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+3Na"	68.967654
"1664663"	126.052488	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Na+HCOOH"	68.994688
"171768"	191.03464	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+2K-H"	76.91904
"610344"	248.09244	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+2K-H"	76.91904
"1099721"	133.97684	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2K-H"	76.91904
"155928"	96.020958	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"2M+2K"	77.926316
"593421"	124.549858	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"3M+2K"	77.926316
"1075746"	67.492058	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2K"	77.926316
"1112234"	135.991392	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2K+H"	78.933592
"1345339"	136.079007	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+DMSO+H"	79.021207
"1010589"	140.118176	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2ACN+H"	83.060376
"1533090"	141.111808	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+IsoProp+Na+H"	84.054008
"992977"	70.562726	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+2ACN+2H"	84.067652
"1588940"	142.026428	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+K+HCOOH"	84.968628
"1426270"	172.057938	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+H+CF3COOH"	115.000138
"1149996"	91.076001	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+3ACN+2H"	125.094202
"1705018"	189.084485	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+NH4+CF3COOH"	132.026685
"1639575"	194.03988	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+Na+CF3COOH"	136.98208
"1583974"	210.01382	"C19257"	"2-Methylaziridine;Propyleneimine"	"C3H7N"	"57.0578"	"M+K+CF3COOH"	152.95602
"813246"	132.0535	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M"	0
"987513"	113.03511	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"78229"	87.0283906666667	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"518194"	131.046224	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"889108"	43.0105573333333	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"10962"	131.046224	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"447243"	197.072974	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"823950"	65.019474	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"86129"	263.099724	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"527877"	395.153224	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"908595"	131.046224	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"62650"	280.126271	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"501214"	412.179771	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"877801"	148.072771	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"46509"	285.081666	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"486961"	417.135166	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"863052"	153.028166	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1633311"	153.028166	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"108016"	149.034563	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"546127"	215.061313	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"939640"	83.007813	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"279290"	299.076402	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"670617"	431.129902	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1278646"	167.022902	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"22295"	301.055606	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"459670"	433.109106	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"837471"	169.002106	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1560962"	169.002106	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"945929"	177.051694	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"365236"	309.105201	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"345749"	323.120851	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1496495"	191.067351	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"964038"	199.033651	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"119506"	167.022902	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"561986"	233.049652	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1032242"	100.996152	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1249634"	210.972385	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1307708"	213.028372	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1323018"	235.010329	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"922825"	245.039086	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1298442"	281.015764	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1372228"	97.040824	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1385350"	115.0508	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"287224"	265.114276	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"675912"	397.167776	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1351491"	133.060776	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"137275"	133.060776	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"577566"	199.087526	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1049644"	67.034026	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"214992"	89.0429426666667	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"653460"	133.060776	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1167575"	45.0251093333333	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"438147"	282.140823	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"800609"	414.194323	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1695839"	150.087323	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"344481"	141.5740495	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"738209"	207.6007995	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1491819"	75.5472995	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"407827"	287.096218	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"768212"	419.149718	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1617038"	155.042718	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"329508"	144.051747	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"719131"	210.078497	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1474774"	78.024997	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1062916"	52.3524233333333	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1269698"	165.086986	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"390095"	303.070158	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"753645"	435.123658	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1554238"	171.016658	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"309953"	152.038717	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"706026"	218.065467	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1461066"	86.011967	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"244803"	306.140826	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1215324"	174.087326	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1197386"	87.547301	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"193172"	309.07816	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"632732"	441.13166	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1136601"	177.02466	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"179527"	155.042718	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"622371"	221.069468	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1123690"	89.015968	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1413420"	59.6797373333333	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1444450"	179.066246	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"235116"	160.07574	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1523786"	193.11829	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"423715"	163.029688	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"785635"	229.056438	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1681230"	97.002938	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"266718"	328.122768	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1241148"	196.069268	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1728236"	196.092793	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1194032"	67.0070513333333	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1665137"	201.048188	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"172611"	341.02604	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"611547"	473.07954	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1099833"	208.97254	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"156526"	171.016658	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"590251"	237.043408	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1075856"	104.989908	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1111980"	210.987092	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1345449"	211.074707	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1006686"	215.113876	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1527732"	216.107508	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"991139"	108.060576	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1591968"	217.022128	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1426380"	247.053638	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1151564"	128.573851	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1708408"	264.080185	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1639685"	269.03558	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1584084"	285.00952	"C19258"	"Methylazoxymethanol acetate"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"804608"	242.1096	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M"	0
"985799"	223.09121	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-H2O-H"	-19.01839
"70763"	160.399124	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M-3H"	-3.021828
"511415"	241.102324	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M-3H"	-3.021828
"884843"	79.695924	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-3H"	-3.021828
"7790"	241.102324	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H"	-2.014552
"445165"	362.157124	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H"	-2.014552
"824059"	120.047524	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-2H"	-2.014552
"85143"	483.211924	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M-H"	-1.007276
"525798"	725.321524	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M-H"	-1.007276
"903598"	241.102324	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-H"	-1.007276
"52507"	500.238471	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+NH4"	16.019271
"502573"	742.348071	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+NH4"	16.019271
"879815"	258.128871	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+NH4"	16.019271
"46654"	505.193866	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+Na"	20.974666
"486703"	747.303466	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+Na"	20.974666
"863287"	263.084266	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+Na"	20.974666
"1632693"	263.084266	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Na-2H"	20.974666
"106669"	259.090663	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M-H+Cl"	33.962126
"546237"	380.145463	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M-H+Cl"	33.962126
"936471"	138.035863	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-H+Cl"	33.962126
"276120"	519.188602	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+Cl"	34.969402
"671820"	761.298202	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+Cl"	34.969402
"1282036"	277.079002	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl"	34.969402
"22404"	521.167806	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+K"	36.948606
"463060"	763.277406	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+K"	36.948606
"833692"	279.058206	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+K"	36.948606
"1558156"	279.058206	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+K-2H"	36.948606
"945675"	287.107794	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-H+HCOOH"	44.998194
"363888"	529.217401	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+HCOOH-H"	44.998201
"346105"	543.233051	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+Hac-H"	59.013851
"1496241"	301.123451	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Hac-H"	59.013851
"965241"	309.089751	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-H+NaCOOH"	66.980151
"119616"	277.079002	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Cl"	69.938804
"563189"	398.133802	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Cl"	69.938804
"1032352"	156.024202	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2Cl"	69.938804
"1249744"	321.028485	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Br"	78.918885
"1307817"	323.084472	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+HCOOH"	80.974872
"1323128"	345.066429	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+NaCOOH"	102.956829
"919655"	355.095186	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M-H+CF3COOH"	112.985586
"1289192"	391.071864	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+CF3COOH"	148.962264
"1371245"	207.096924	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H-2H2O"	-35.012676
"1385460"	225.1069	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H-H2O"	-17.0027
"286241"	485.226476	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+H"	1.007276
"675865"	727.336076	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+H"	1.007276
"1352450"	243.116876	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H"	1.007276
"136655"	243.116876	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+2H"	2.014552
"576216"	364.171676	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+2H"	2.014552
"1046108"	122.062076	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2H"	2.014552
"215102"	162.413676	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H"	3.021828
"653570"	243.116876	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+3H"	3.021828
"1167321"	81.710476	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+3H"	3.021828
"438257"	502.253023	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+NH4"	18.033823
"800958"	744.362623	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+NH4"	18.033823
"1695221"	260.143423	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4"	18.033823
"344227"	251.6301495	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+NH4"	19.041099
"737625"	372.6849495	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+NH4"	19.041099
"1491441"	130.5753495	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H+NH4"	19.041099
"407573"	507.208418	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na"	22.989218
"765403"	749.318018	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na"	22.989218
"1615325"	265.098818	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Na"	22.989218
"328767"	254.107847	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+Na"	23.996494
"721921"	375.162647	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+Na"	23.996494
"1473791"	133.053047	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H+Na"	23.996494
"1063755"	89.03779	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2H+Na"	25.00377
"1269808"	275.143086	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+CH3OH+H"	33.033486
"387287"	523.182358	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+K"	38.963158
"752173"	765.291958	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+K"	38.963158
"1553497"	281.072758	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+K"	38.963158
"314106"	262.094817	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+K"	39.970434
"703946"	383.149617	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+K"	39.970434
"1460202"	141.040017	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H+K"	39.970434
"242727"	526.253026	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+H"	42.033826
"1214705"	284.143426	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+H"	42.033826
"1197496"	142.575351	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+2H"	43.041102
"195469"	529.19036	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na-H"	44.97116
"633936"	771.29996	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na-H"	44.97116
"1139626"	287.08076	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na-H"	44.97116
"179638"	265.098818	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na"	45.978436
"621387"	386.153618	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na"	45.978436
"1122706"	144.044018	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na"	45.978436
"1413166"	96.365104	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H+2Na"	46.985712
"1445049"	289.122346	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H+HCOOH"	47.012746
"235663"	270.13184	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H2O+2H"	56.04448
"1522677"	303.17439	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+H"	61.06479
"424173"	273.085788	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na+K"	61.952376
"785394"	394.140588	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na+K"	61.952376
"1681286"	152.030988	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+K"	61.952376
"266908"	548.234968	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+Na"	64.015768
"1241324"	306.125368	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+Na"	64.015768
"1728388"	306.148893	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+HCOOH"	64.039293
"1193697"	103.692418	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+3Na"	68.967654
"1665562"	311.104288	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+HCOOH"	68.994688
"172637"	561.13824	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K-H"	76.91904
"609471"	803.24784	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K-H"	76.91904
"1099656"	319.02864	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2K-H"	76.91904
"157073"	281.072758	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K"	77.926316
"590361"	402.127558	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K"	77.926316
"1078154"	160.017958	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2K"	77.926316
"1111362"	321.043192	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2K+H"	78.933592
"1342280"	321.130807	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+DMSO+H"	79.021207
"1005862"	325.169976	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+H"	83.060376
"1526020"	326.163608	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+Na+H"	84.054008
"993197"	163.088626	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+2H"	84.067652
"1589892"	327.078228	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+K+HCOOH"	84.968628
"1426490"	357.109738	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+H+CF3COOH"	115.000138
"1151310"	183.601901	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+3ACN+2H"	125.094202
"1705235"	374.136285	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+CF3COOH"	132.026685
"1639795"	379.09168	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+CF3COOH"	136.98208
"1584194"	395.06562	"C19259"	"5-Methylchrysene"	"C19H14"	"242.1096"	"M+K+CF3COOH"	152.95602
"804718"	226.147	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M"	0
"983723"	207.12861	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-H2O-H"	-19.01839
"71966"	149.757390666667	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M-3H"	-3.021828
"511525"	225.139724	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M-3H"	-3.021828
"884953"	74.3750573333333	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-3H"	-3.021828
"6807"	225.139724	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M-2H"	-2.014552
"444181"	338.213224	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M-2H"	-2.014552
"824169"	112.066224	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-2H"	-2.014552
"85253"	451.286724	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M-H"	-1.007276
"525908"	677.433724	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M-H"	-1.007276
"903708"	225.139724	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-H"	-1.007276
"53710"	468.313271	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M-2H+NH4"	16.019271
"502396"	694.460271	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M-2H+NH4"	16.019271
"879348"	242.166271	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-2H+NH4"	16.019271
"47103"	473.268666	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M-2H+Na"	20.974666
"486565"	699.415666	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M-2H+Na"	20.974666
"862664"	247.121666	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-2H+Na"	20.974666
"1630248"	247.121666	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Na-2H"	20.974666
"105684"	243.128063	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M-H+Cl"	33.962126
"546347"	356.201563	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M-H+Cl"	33.962126
"937673"	130.054563	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-H+Cl"	33.962126
"275135"	487.263402	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+Cl"	34.969402
"671930"	713.410402	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+Cl"	34.969402
"1282146"	261.116402	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Cl"	34.969402
"20327"	489.242606	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M-2H+K"	36.948606
"457703"	715.389606	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M-2H+K"	36.948606
"833680"	263.095606	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-2H+K"	36.948606
"1558995"	263.095606	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+K-2H"	36.948606
"943598"	271.145194	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-H+HCOOH"	44.998194
"363998"	497.292201	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+HCOOH-H"	44.998201
"345744"	511.307851	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+Hac-H"	59.013851
"1494892"	285.160851	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Hac-H"	59.013851
"961706"	293.127151	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-H+NaCOOH"	66.980151
"111706"	261.116402	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+2Cl"	69.938804
"563299"	374.189902	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+2Cl"	69.938804
"1032462"	148.042902	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2Cl"	69.938804
"1249854"	305.065885	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Br"	78.918885
"1307927"	307.121872	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Cl+HCOOH"	80.974872
"1325424"	329.103829	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Cl+NaCOOH"	102.956829
"917577"	339.132586	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M-H+CF3COOH"	112.985586
"1291004"	375.109264	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Cl+CF3COOH"	148.962264
"1368312"	191.134324	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H-2H2O"	-35.012676
"1384477"	209.1443	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H-H2O"	-17.0027
"284165"	453.301276	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+H"	1.007276
"676460"	679.448276	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+H"	1.007276
"1353653"	227.154276	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H"	1.007276
"134212"	227.154276	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+2H"	2.014552
"574867"	340.227776	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+2H"	2.014552
"1044030"	114.080776	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2H"	2.014552
"211931"	151.771942666667	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+3H"	3.021828
"653680"	227.154276	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+3H"	3.021828
"1166338"	76.3896093333333	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+3H"	3.021828
"437638"	470.327823	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+NH4"	18.033823
"797172"	696.474823	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+NH4"	18.033823
"1693139"	244.180823	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+NH4"	18.033823
"342147"	235.6675495	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+H+NH4"	19.041099
"737977"	348.7410495	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+H+NH4"	19.041099
"1491308"	122.5940495	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H+NH4"	19.041099
"405977"	475.283218	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+Na"	22.989218
"765515"	701.430218	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+Na"	22.989218
"1616165"	249.136218	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Na"	22.989218
"328389"	238.145247	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+H+Na"	23.996494
"721784"	351.218747	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+H+Na"	23.996494
"1473901"	125.071747	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H+Na"	23.996494
"1063134"	83.7169233333333	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2H+Na"	25.00377
"1269918"	259.180486	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+CH3OH+H"	33.033486
"386303"	491.257158	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+K"	38.963158
"748756"	717.404158	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+K"	38.963158
"1553364"	265.110158	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+K"	38.963158
"313943"	246.132217	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+H+K"	39.970434
"703692"	359.205717	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+H+K"	39.970434
"1460314"	133.058717	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H+K"	39.970434
"243930"	494.327826	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+ACN+H"	42.033826
"1216637"	268.180826	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+ACN+H"	42.033826
"1201614"	134.594051	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+ACN+2H"	43.041102
"197765"	497.26516	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+2Na-H"	44.97116
"636232"	723.41216	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+2Na-H"	44.97116
"1141559"	271.11816	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2Na-H"	44.97116
"180841"	249.136218	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+2Na"	45.978436
"621496"	362.209718	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+2Na"	45.978436
"1122816"	136.062718	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2Na"	45.978436
"1412548"	91.0442373333333	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H+2Na"	46.985712
"1445488"	273.159746	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H+HCOOH"	47.012746
"235091"	254.16924	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+3H2O+2H"	56.04448
"1522423"	287.21179	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+IsoProp+H"	61.06479
"423570"	257.123188	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+Na+K"	61.952376
"785422"	370.196688	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+Na+K"	61.952376
"1680530"	144.049688	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Na+K"	61.952376
"266856"	516.309768	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+ACN+Na"	64.015768
"1241303"	290.162768	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+ACN+Na"	64.015768
"1728316"	290.186293	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+NH4+HCOOH"	64.039293
"1193930"	98.3715513333333	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+3Na"	68.967654
"1664751"	295.141688	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Na+HCOOH"	68.994688
"171857"	529.21304	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+2K-H"	76.91904
"610674"	755.36004	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+2K-H"	76.91904
"1099321"	303.06604	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2K-H"	76.91904
"156998"	265.110158	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"2M+2K"	77.926316
"590471"	378.183658	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"3M+2K"	77.926316
"1078264"	152.036658	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2K"	77.926316
"1111472"	305.080592	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2K+H"	78.933592
"1342390"	305.168207	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+DMSO+H"	79.021207
"1006056"	309.207376	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2ACN+H"	83.060376
"1524912"	310.201008	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+IsoProp+Na+H"	84.054008
"994400"	155.107326	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+2ACN+2H"	84.067652
"1590002"	311.115628	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+K+HCOOH"	84.968628
"1427693"	341.147138	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+H+CF3COOH"	115.000138
"1152513"	175.620601	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+3ACN+2H"	125.094202
"1705345"	358.173685	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+NH4+CF3COOH"	132.026685
"1639905"	363.12908	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+Na+CF3COOH"	136.98208
"1584304"	379.10302	"C19260"	"44-Methylene bis(2-methylaniline)"	"C15H18N2"	"226.147"	"M+K+CF3COOH"	152.95602
"815768"	82.0531	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M"	0
"984925"	63.03471	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H2O-H"	-19.01839
"68794"	53.6947906666667	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-3H"	-3.021828
"507263"	81.045824	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-3H"	-3.021828
"888344"	26.3437573333333	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-3H"	-3.021828
"2544"	81.045824	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H"	-2.014552
"442104"	122.072374	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H"	-2.014552
"824281"	40.019274	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H"	-2.014552
"89741"	163.098924	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-H"	-1.007276
"527113"	245.152024	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-H"	-1.007276
"904914"	81.045824	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H"	-1.007276
"61126"	180.125471	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H+NH4"	16.019271
"501052"	262.178571	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H+NH4"	16.019271
"877884"	98.072371	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H+NH4"	16.019271
"45417"	185.080866	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H+Na"	20.974666
"485222"	267.133966	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H+Na"	20.974666
"862894"	103.027766	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H+Na"	20.974666
"1632550"	103.027766	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na-2H"	20.974666
"109161"	99.034163	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-H+Cl"	33.962126
"546457"	140.060713	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-H+Cl"	33.962126
"933408"	58.007613	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+Cl"	33.962126
"275246"	199.075602	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Cl"	34.969402
"662200"	281.128702	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+Cl"	34.969402
"1273872"	117.022502	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl"	34.969402
"25909"	201.054806	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H+K"	36.948606
"463282"	283.107906	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H+K"	36.948606
"841086"	119.001706	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H+K"	36.948606
"1559103"	119.001706	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K-2H"	36.948606
"943706"	127.051294	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+HCOOH"	44.998194
"369577"	209.104401	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+HCOOH-H"	44.998201
"347992"	223.120051	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Hac-H"	59.013851
"1492889"	141.066951	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Hac-H"	59.013851
"960233"	149.033251	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+NaCOOH"	66.980151
"115460"	117.022502	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2Cl"	69.938804
"555025"	158.049052	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2Cl"	69.938804
"1026010"	75.995952	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2Cl"	69.938804
"1245589"	160.971985	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Br"	78.918885
"1309132"	163.027972	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl+HCOOH"	80.974872
"1323347"	185.009929	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl+NaCOOH"	102.956829
"913312"	195.038686	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+CF3COOH"	112.985586
"1290382"	231.015364	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl+CF3COOH"	148.962264
"1367246"	47.040424	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H-2H2O"	-35.012676
"1385680"	65.0504	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H-H2O"	-17.0027
"284514"	165.113476	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H"	1.007276
"686539"	247.166576	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H"	1.007276
"1357420"	83.060376	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H"	1.007276
"137970"	83.060376	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2H"	2.014552
"568780"	124.086926	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2H"	2.014552
"1050337"	42.033826	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2H"	2.014552
"216418"	55.7093426666667	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+3H"	3.021828
"657072"	83.060376	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+3H"	3.021828
"1177393"	28.3583093333333	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+3H"	3.021828
"437383"	182.140023	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+NH4"	18.033823
"799105"	264.193123	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+NH4"	18.033823
"1691426"	100.086923	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+NH4"	18.033823
"342622"	91.5736495	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H+NH4"	19.041099
"733220"	132.6001995	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H+NH4"	19.041099
"1489959"	50.5470995	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+NH4"	19.041099
"406452"	187.095418	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Na"	22.989218
"765261"	269.148518	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+Na"	22.989218
"1612629"	105.042318	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na"	22.989218
"326312"	94.051347	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H+Na"	23.996494
"722017"	135.077897	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H+Na"	23.996494
"1472552"	53.024797	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+Na"	23.996494
"1065434"	35.6856233333333	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2H+Na"	25.00377
"1271730"	115.086586	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+CH3OH+H"	33.033486
"392374"	203.069358	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+K"	38.963158
"752149"	285.122458	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+K"	38.963158
"1550558"	121.016258	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K"	38.963158
"311381"	102.038317	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H+K"	39.970434
"704896"	143.064867	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H+K"	39.970434
"1459810"	61.011767	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+K"	39.970434
"247683"	206.140026	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+ACN+H"	42.033826
"1222579"	124.086926	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+ACN+H"	42.033826
"1203910"	62.547101	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+ACN+2H"	43.041102
"196781"	209.07736	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2Na-H"	44.97116
"637800"	291.13046	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2Na-H"	44.97116
"1140212"	127.02426	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2Na-H"	44.97116
"182048"	105.042318	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2Na"	45.978436
"622704"	146.068868	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2Na"	45.978436
"1128035"	64.015768	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2Na"	45.978436
"1408278"	43.0129373333333	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+2Na"	46.985712
"1445028"	129.065846	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+HCOOH"	47.012746
"235084"	110.07534	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+3H2O+2H"	56.04448
"1523718"	143.11789	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+IsoProp+H"	61.06479
"424135"	113.029288	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Na+K"	61.952376
"785330"	154.055838	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+Na+K"	61.952376
"1681203"	72.002738	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na+K"	61.952376
"264974"	228.121968	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+ACN+Na"	64.015768
"1241236"	146.068868	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+ACN+Na"	64.015768
"1727906"	146.092393	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+NH4+HCOOH"	64.039293
"1193269"	50.3402513333333	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+3Na"	68.967654
"1665144"	151.047788	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na+HCOOH"	68.994688
"171224"	241.02524	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2K-H"	76.91904
"612002"	323.07834	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2K-H"	76.91904
"1099073"	158.97214	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2K-H"	76.91904
"154301"	121.016258	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2K"	77.926316
"591675"	162.042808	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2K"	77.926316
"1078374"	79.989708	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2K"	77.926316
"1107210"	160.986692	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2K+H"	78.933592
"1343594"	161.074307	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+DMSO+H"	79.021207
"1014314"	165.113476	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2ACN+H"	83.060376
"1536815"	166.107108	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+IsoProp+Na+H"	84.054008
"999981"	83.060376	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2ACN+2H"	84.067652
"1599960"	167.021728	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K+HCOOH"	84.968628
"1423432"	197.053238	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+CF3COOH"	115.000138
"1154812"	103.573651	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+3ACN+2H"	125.094202
"1703270"	214.079785	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+NH4+CF3COOH"	132.026685
"1640015"	219.03518	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na+CF3COOH"	136.98208
"1584414"	235.00912	"C19261"	"2-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K+CF3COOH"	152.95602
"804939"	82.0531	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M"	0
"986129"	63.03471	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H2O-H"	-19.01839
"67811"	53.6947906666667	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-3H"	-3.021828
"505186"	81.045824	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-3H"	-3.021828
"888454"	26.3437573333333	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-3H"	-3.021828
"3018"	81.045824	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H"	-2.014552
"441848"	122.072374	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H"	-2.014552
"823297"	40.019274	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H"	-2.014552
"88758"	163.098924	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-H"	-1.007276
"527223"	245.152024	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-H"	-1.007276
"902838"	81.045824	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H"	-1.007276
"61966"	180.125471	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H+NH4"	16.019271
"501524"	262.178571	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H+NH4"	16.019271
"878477"	98.072371	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H+NH4"	16.019271
"46543"	185.080866	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H+Na"	20.974666
"485940"	267.133966	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H+Na"	20.974666
"862032"	103.027766	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H+Na"	20.974666
"1633673"	103.027766	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na-2H"	20.974666
"108093"	99.034163	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-H+Cl"	33.962126
"545473"	140.060713	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-H+Cl"	33.962126
"934612"	58.007613	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+Cl"	33.962126
"275356"	199.075602	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Cl"	34.969402
"662310"	281.128702	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+Cl"	34.969402
"1275076"	117.022502	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl"	34.969402
"20551"	201.054806	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M-2H+K"	36.948606
"463392"	283.107906	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M-2H+K"	36.948606
"841196"	119.001706	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-2H+K"	36.948606
"1558484"	119.001706	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K-2H"	36.948606
"944909"	127.051294	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+HCOOH"	44.998194
"368594"	209.104401	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+HCOOH-H"	44.998201
"349559"	223.120051	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Hac-H"	59.013851
"1492798"	141.066951	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Hac-H"	59.013851
"961194"	149.033251	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+NaCOOH"	66.980151
"114477"	117.022502	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2Cl"	69.938804
"555135"	158.049052	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2Cl"	69.938804
"1025027"	75.995952	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2Cl"	69.938804
"1245699"	160.971985	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Br"	78.918885
"1307054"	163.027972	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl+HCOOH"	80.974872
"1321267"	185.009929	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl+NaCOOH"	102.956829
"912690"	195.038686	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M-H+CF3COOH"	112.985586
"1290128"	231.015364	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Cl+CF3COOH"	148.962264
"1367924"	47.040424	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H-2H2O"	-35.012676
"1387247"	65.0504	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H-H2O"	-17.0027
"284747"	165.113476	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H"	1.007276
"686285"	247.166576	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H"	1.007276
"1358623"	83.060376	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H"	1.007276
"138080"	83.060376	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2H"	2.014552
"570347"	124.086926	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2H"	2.014552
"1048991"	42.033826	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2H"	2.014552
"215435"	55.7093426666667	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+3H"	3.021828
"656089"	83.060376	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+3H"	3.021828
"1174946"	28.3583093333333	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+3H"	3.021828
"434205"	182.140023	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+NH4"	18.033823
"796296"	264.193123	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+NH4"	18.033823
"1690440"	100.086923	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+NH4"	18.033823
"342367"	91.5736495	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H+NH4"	19.041099
"733330"	132.6001995	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H+NH4"	19.041099
"1488245"	50.5470995	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+NH4"	19.041099
"406927"	187.095418	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Na"	22.989218
"763548"	269.148518	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+Na"	22.989218
"1612736"	105.042318	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na"	22.989218
"323867"	94.051347	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H+Na"	23.996494
"719208"	135.077897	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H+Na"	23.996494
"1473389"	53.024797	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+Na"	23.996494
"1065544"	35.6856233333333	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2H+Na"	25.00377
"1271594"	115.086586	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+CH3OH+H"	33.033486
"392236"	203.069358	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+K"	38.963158
"750072"	285.122458	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+K"	38.963158
"1552123"	121.016258	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K"	38.963158
"310396"	102.038317	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+H+K"	39.970434
"702090"	143.064867	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+H+K"	39.970434
"1457732"	61.011767	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+K"	39.970434
"247427"	206.140026	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+ACN+H"	42.033826
"1222323"	124.086926	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+ACN+H"	42.033826
"1204020"	62.547101	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+ACN+2H"	43.041102
"196891"	209.07736	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2Na-H"	44.97116
"638274"	291.13046	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2Na-H"	44.97116
"1141051"	127.02426	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2Na-H"	44.97116
"182158"	105.042318	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2Na"	45.978436
"622814"	146.068868	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2Na"	45.978436
"1127415"	64.015768	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2Na"	45.978436
"1409844"	43.0129373333333	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+2Na"	46.985712
"1445269"	129.065846	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+HCOOH"	47.012746
"234586"	110.07534	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+3H2O+2H"	56.04448
"1523621"	143.11789	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+IsoProp+H"	61.06479
"424212"	113.029288	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+Na+K"	61.952376
"785030"	154.055838	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+Na+K"	61.952376
"1680022"	72.002738	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na+K"	61.952376
"262167"	228.121968	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+ACN+Na"	64.015768
"1239251"	146.068868	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+ACN+Na"	64.015768
"1725950"	146.092393	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+NH4+HCOOH"	64.039293
"1193657"	50.3402513333333	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+3Na"	68.967654
"1663745"	151.047788	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na+HCOOH"	68.994688
"170603"	241.02524	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2K-H"	76.91904
"610166"	323.07834	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2K-H"	76.91904
"1097959"	158.97214	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2K-H"	76.91904
"153317"	121.016258	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"2M+2K"	77.926316
"590690"	162.042808	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"3M+2K"	77.926316
"1078484"	79.989708	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2K"	77.926316
"1107320"	160.986692	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2K+H"	78.933592
"1343704"	161.074307	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+DMSO+H"	79.021207
"1013331"	165.113476	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2ACN+H"	83.060376
"1539112"	166.107108	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+IsoProp+Na+H"	84.054008
"1000091"	83.060376	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+2ACN+2H"	84.067652
"1597883"	167.021728	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K+HCOOH"	84.968628
"1423542"	197.053238	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+H+CF3COOH"	115.000138
"1154922"	103.573651	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+3ACN+2H"	125.094202
"1703380"	214.079785	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+NH4+CF3COOH"	132.026685
"1640125"	219.03518	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+Na+CF3COOH"	136.98208
"1584524"	235.00912	"C19262"	"4-Methylimidazole"	"C4H6N2"	"82.0531"	"M+K+CF3COOH"	152.95602
"816596"	100.0888	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M"	0
"988062"	81.07041	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-H2O-H"	-19.01839
"72296"	65.7185906666667	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M-3H"	-3.021828
"510764"	99.081524	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M-3H"	-3.021828
"889658"	32.3556573333333	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-3H"	-3.021828
"4953"	99.081524	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M-2H"	-2.014552
"447794"	149.125924	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M-2H"	-2.014552
"823409"	49.037124	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-2H"	-2.014552
"88867"	199.170324	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M-H"	-1.007276
"526241"	299.259124	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M-H"	-1.007276
"909147"	99.081524	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-H"	-1.007276
"62313"	216.196871	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M-2H+NH4"	16.019271
"502236"	316.285671	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M-2H+NH4"	16.019271
"877972"	116.108071	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-2H+NH4"	16.019271
"46723"	221.152266	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M-2H+Na"	20.974666
"485802"	321.241066	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M-2H+Na"	20.974666
"864051"	121.063466	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-2H+Na"	20.974666
"1629487"	121.063466	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Na-2H"	20.974666
"104923"	117.069863	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M-H+Cl"	33.962126
"543396"	167.114263	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M-H+Cl"	33.962126
"938005"	67.025463	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-H+Cl"	33.962126
"280207"	235.147002	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+Cl"	34.969402
"668982"	335.235802	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+Cl"	34.969402
"1279200"	135.058202	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Cl"	34.969402
"25038"	237.126206	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M-2H+K"	36.948606
"466785"	337.215006	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M-2H+K"	36.948606
"841306"	137.037406	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-2H+K"	36.948606
"1559323"	137.037406	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+K-2H"	36.948606
"945019"	145.086994	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-H+HCOOH"	44.998194
"369797"	245.175801	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+HCOOH-H"	44.998201
"345936"	259.191451	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+Hac-H"	59.013851
"1497047"	159.102651	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Hac-H"	59.013851
"962402"	167.068951	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-H+NaCOOH"	66.980151
"118965"	135.058202	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+2Cl"	69.938804
"560713"	185.102602	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+2Cl"	69.938804
"1026598"	85.013802	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2Cl"	69.938804
"1247269"	179.007685	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Br"	78.918885
"1306071"	181.063672	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Cl+HCOOH"	80.974872
"1322472"	203.045629	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Cl+NaCOOH"	102.956829
"911705"	213.074386	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M-H+CF3COOH"	112.985586
"1291331"	249.051064	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Cl+CF3COOH"	148.962264
"1372778"	65.076124	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H-2H2O"	-35.012676
"1387357"	83.0861	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H-H2O"	-17.0027
"285950"	201.184876	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+H"	1.007276
"675977"	301.273676	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+H"	1.007276
"1358733"	101.096076	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H"	1.007276
"138191"	101.096076	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+2H"	2.014552
"579939"	151.140476	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+2H"	2.014552
"1051656"	51.051676	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2H"	2.014552
"212264"	67.7331426666667	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+3H"	3.021828
"658388"	101.096076	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+3H"	3.021828
"1175420"	34.3702093333333	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+3H"	3.021828
"434316"	218.211423	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+NH4"	18.033823
"795314"	318.300223	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+NH4"	18.033823
"1694197"	118.122623	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+NH4"	18.033823
"337741"	109.6093495	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+H+NH4"	19.041099
"731256"	159.6537495	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+H+NH4"	19.041099
"1485076"	59.5649495	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H+NH4"	19.041099
"405944"	223.166818	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+Na"	22.989218
"762565"	323.255618	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+Na"	22.989218
"1612846"	123.078018	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Na"	22.989218
"319604"	112.087047	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+H+Na"	23.996494
"717493"	162.131447	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+H+Na"	23.996494
"1472407"	62.042647	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H+Na"	23.996494
"1061280"	41.6975233333333	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2H+Na"	25.00377
"1269517"	133.122286	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+CH3OH+H"	33.033486
"389185"	239.140758	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+K"	38.963158
"750182"	339.229558	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+K"	38.963158
"1547862"	139.051958	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+K"	38.963158
"307226"	120.074017	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+H+K"	39.970434
"700742"	170.118417	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+H+K"	39.970434
"1452375"	70.029617	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H+K"	39.970434
"245351"	242.211426	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+ACN+H"	42.033826
"1216967"	142.122626	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+ACN+H"	42.033826
"1200849"	71.564951	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+ACN+2H"	43.041102
"196639"	245.14876	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+2Na-H"	44.97116
"637657"	345.23756	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+2Na-H"	44.97116
"1140068"	145.05996	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2Na-H"	44.97116
"183002"	123.078018	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+2Na"	45.978436
"624020"	173.122418	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+2Na"	45.978436
"1125704"	73.033618	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2Na"	45.978436
"1407768"	49.0248373333333	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H+2Na"	46.985712
"1444269"	147.101546	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H+HCOOH"	47.012746
"234327"	128.11104	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+3H2O+2H"	56.04448
"1523366"	161.15359	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+IsoProp+H"	61.06479
"424108"	131.064988	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+Na+K"	61.952376
"785346"	181.109388	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+Na+K"	61.952376
"1681200"	81.020588	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Na+K"	61.952376
"264465"	264.193368	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+ACN+Na"	64.015768
"1239361"	164.104568	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+ACN+Na"	64.015768
"1727848"	164.128093	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+NH4+HCOOH"	64.039293
"1193846"	56.3521513333333	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+3Na"	68.967654
"1665318"	169.083488	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Na+HCOOH"	68.994688
"171809"	277.09664	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+2K-H"	76.91904
"611734"	377.18544	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+2K-H"	76.91904
"1099820"	177.00784	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2K-H"	76.91904
"154522"	139.051958	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"2M+2K"	77.926316
"589709"	189.096358	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"3M+2K"	77.926316
"1080781"	89.007558	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2K"	77.926316
"1107430"	179.022392	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2K+H"	78.933592
"1344907"	179.110007	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+DMSO+H"	79.021207
"1013441"	183.149176	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2ACN+H"	83.060376
"1538857"	184.142808	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+IsoProp+Na+H"	84.054008
"1001294"	92.078226	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+2ACN+2H"	84.067652
"1600181"	185.057428	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+K+HCOOH"	84.968628
"1427662"	215.088938	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+H+CF3COOH"	115.000138
"1155033"	112.591501	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+3ACN+2H"	125.094202
"1708958"	232.115485	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+NH4+CF3COOH"	132.026685
"1640235"	237.07088	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+Na+CF3COOH"	136.98208
"1584634"	253.04482	"C19263"	"Methyl isobutyl ketone"	"C6H12O"	"100.0888"	"M+K+CF3COOH"	152.95602
"805158"	267.0532	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M"	0
"987079"	248.03481	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-H2O-H"	-19.01839
"64021"	177.028190666667	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M-3H"	-3.021828
"509779"	266.045924	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M-3H"	-3.021828
"888675"	88.0104573333333	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-3H"	-3.021828
"6156"	266.045924	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M-2H"	-2.014552
"445717"	399.572524	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M-2H"	-2.014552
"818413"	132.519324	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-2H"	-2.014552
"88977"	533.099124	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M-H"	-1.007276
"527444"	800.152324	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M-H"	-1.007276
"909136"	266.045924	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-H"	-1.007276
"60721"	550.125671	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M-2H+NH4"	16.019271
"501372"	817.178871	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M-2H+NH4"	16.019271
"873707"	283.072471	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-2H+NH4"	16.019271
"44767"	555.081066	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M-2H+Na"	20.974666
"484084"	822.134266	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M-2H+Na"	20.974666
"859697"	288.027866	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-2H+Na"	20.974666
"1627410"	288.027866	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Na-2H"	20.974666
"98471"	284.034263	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M-H+Cl"	33.962126
"543506"	417.560863	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M-H+Cl"	33.962126
"931555"	150.507663	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-H+Cl"	33.962126
"277765"	569.075802	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+Cl"	34.969402
"665812"	836.129002	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+Cl"	34.969402
"1276030"	302.022602	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Cl"	34.969402
"29158"	571.055006	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M-2H+K"	36.948606
"466895"	838.108206	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M-2H+K"	36.948606
"841416"	304.001806	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-2H+K"	36.948606
"1558340"	304.001806	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+K-2H"	36.948606
"945129"	312.051394	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-H+HCOOH"	44.998194
"369907"	579.104601	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+HCOOH-H"	44.998201
"345762"	593.120251	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+Hac-H"	59.013851
"1497157"	326.067051	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Hac-H"	59.013851
"965792"	334.033351	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-H+NaCOOH"	66.980151
"119075"	302.022602	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+2Cl"	69.938804
"561916"	435.549202	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+2Cl"	69.938804
"1028529"	168.496002	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2Cl"	69.938804
"1245192"	345.972085	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Br"	78.918885
"1308368"	348.028072	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Cl+HCOOH"	80.974872
"1322582"	370.010029	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Cl+NaCOOH"	102.956829
"913273"	380.038786	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M-H+CF3COOH"	112.985586
"1290348"	416.015464	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Cl+CF3COOH"	148.962264
"1369608"	232.040524	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H-2H2O"	-35.012676
"1387467"	250.0505	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H-H2O"	-17.0027
"283872"	535.113676	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+H"	1.007276
"676288"	802.166876	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+H"	1.007276
"1358843"	268.060476	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H"	1.007276
"139396"	268.060476	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+2H"	2.014552
"580051"	401.587076	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+2H"	2.014552
"1050308"	134.533876	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2H"	2.014552
"209093"	179.042742666667	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+3H"	3.021828
"653029"	268.060476	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+3H"	3.021828
"1176383"	90.0250093333333	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+3H"	3.021828
"433332"	552.140223	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+NH4"	18.033823
"795789"	819.193423	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+NH4"	18.033823
"1689567"	285.087023	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+NH4"	18.033823
"340038"	276.5737495	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+H+NH4"	19.041099
"732459"	410.1003495	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+H+NH4"	19.041099
"1485185"	143.0471495	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H+NH4"	19.041099
"400587"	557.095618	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+Na"	22.989218
"761580"	824.148818	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+Na"	22.989218
"1608582"	290.042418	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Na"	22.989218
"319714"	279.051447	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+H+Na"	23.996494
"717602"	412.578047	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+H+Na"	23.996494
"1470331"	145.524847	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H+Na"	23.996494
"1060297"	97.3523233333333	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2H+Na"	25.00377
"1266348"	300.086686	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+CH3OH+H"	33.033486
"388202"	573.069558	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+K"	38.963158
"748835"	840.122758	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+K"	38.963158
"1547972"	306.016358	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+K"	38.963158
"306972"	287.038417	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+H+K"	39.970434
"703040"	420.565017	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+H+K"	39.970434
"1455401"	153.511817	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H+K"	39.970434
"245097"	576.140226	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+ACN+H"	42.033826
"1217077"	309.087026	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+ACN+H"	42.033826
"1200960"	155.047151	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+ACN+2H"	43.041102
"195289"	579.07756	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+2Na-H"	44.97116
"638860"	846.13076	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+2Na-H"	44.97116
"1139085"	312.02436	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2Na-H"	44.97116
"183476"	290.042418	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+2Na"	45.978436
"623401"	423.569018	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+2Na"	45.978436
"1125814"	156.515818	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2Na"	45.978436
"1406786"	104.679637333333	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H+2Na"	46.985712
"1444257"	314.065946	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H+HCOOH"	47.012746
"234073"	295.07544	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+3H2O+2H"	56.04448
"1523720"	328.11799	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+IsoProp+H"	61.06479
"424021"	298.029388	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+Na+K"	61.952376
"782819"	431.555988	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+Na+K"	61.952376
"1678785"	164.502788	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Na+K"	61.952376
"265304"	598.122168	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+ACN+Na"	64.015768
"1240201"	331.068968	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+ACN+Na"	64.015768
"1727631"	331.092493	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+NH4+HCOOH"	64.039293
"1193347"	112.006951333333	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+3Na"	68.967654
"1664329"	336.047888	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Na+HCOOH"	68.994688
"171554"	611.02544	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+2K-H"	76.91904
"611723"	878.07864	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+2K-H"	76.91904
"1099278"	343.97224	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2K-H"	76.91904
"154631"	306.016358	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"2M+2K"	77.926316
"589818"	439.542958	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"3M+2K"	77.926316
"1078704"	172.489758	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2K"	77.926316
"1107539"	345.986792	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2K+H"	78.933592
"1346109"	346.074407	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+DMSO+H"	79.021207
"1016830"	350.113576	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2ACN+H"	83.060376
"1538604"	351.107208	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+IsoProp+Na+H"	84.054008
"1001404"	175.560426	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+2ACN+2H"	84.067652
"1600291"	352.021828	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+K+HCOOH"	84.968628
"1428501"	382.053338	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+H+CF3COOH"	115.000138
"1155143"	196.073701	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+3ACN+2H"	125.094202
"1709068"	399.079885	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+NH4+CF3COOH"	132.026685
"1640345"	404.03528	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+Na+CF3COOH"	136.98208
"1584744"	420.00922	"C19264"	"2-Methyl-1-nitroanthraquinone"	"C15H9NO4"	"267.0532"	"M+K+CF3COOH"	152.95602
"805268"	142.0201	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M"	0
"986459"	123.00171	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-H2O-H"	-19.01839
"64131"	93.6727906666667	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M-3H"	-3.021828
"508796"	141.012824	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M-3H"	-3.021828
"888785"	46.3327573333333	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-3H"	-3.021828
"4080"	141.012824	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M-2H"	-2.014552
"443640"	212.022874	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M-2H"	-2.014552
"818159"	70.002774	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-2H"	-2.014552
"82527"	283.032924	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M-H"	-1.007276
"523180"	425.053024	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M-H"	-1.007276
"904264"	141.012824	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-H"	-1.007276
"56458"	300.059471	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M-2H+NH4"	16.019271
"499295"	442.079571	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M-2H+NH4"	16.019271
"869441"	158.039371	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-2H+NH4"	16.019271
"37343"	305.014866	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M-2H+Na"	20.974666
"479093"	447.034966	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M-2H+Na"	20.974666
"853611"	162.994766	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-2H+Na"	20.974666
"1624240"	162.994766	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Na-2H"	20.974666
"95420"	159.001163	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M-H+Cl"	33.962126
"543616"	230.011213	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M-H+Cl"	33.962126
"931665"	87.991113	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-H+Cl"	33.962126
"277875"	319.009602	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+Cl"	34.969402
"662642"	461.029702	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+Cl"	34.969402
"1276140"	176.989502	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Cl"	34.969402
"28904"	320.988806	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M-2H+K"	36.948606
"463725"	463.008906	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M-2H+K"	36.948606
"841526"	178.968706	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-2H+K"	36.948606
"1557357"	178.968706	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+K-2H"	36.948606
"944146"	187.018294	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-H+HCOOH"	44.998194
"367831"	329.038401	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+HCOOH-H"	44.998201
"345956"	343.054051	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+Hac-H"	59.013851
"1496902"	201.033951	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Hac-H"	59.013851
"965902"	209.000251	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-H+NaCOOH"	66.980151
"119185"	176.989502	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+2Cl"	69.938804
"559840"	247.999552	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+2Cl"	69.938804
"1026453"	105.979452	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2Cl"	69.938804
"1244209"	220.938985	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Br"	78.918885
"1305199"	222.994972	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Cl+HCOOH"	80.974872
"1320870"	244.976929	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Cl+NaCOOH"	102.956829
"912654"	255.005686	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M-H+CF3COOH"	112.985586
"1289359"	290.982364	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Cl+CF3COOH"	148.962264
"1368007"	107.007424	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H-2H2O"	-35.012676
"1385026"	125.0174	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H-H2O"	-17.0027
"283293"	285.047476	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+H"	1.007276
"676638"	427.067576	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+H"	1.007276
"1358953"	143.027376	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H"	1.007276
"138412"	143.027376	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+2H"	2.014552
"580160"	214.037426	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+2H"	2.014552
"1050419"	72.017326	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2H"	2.014552
"209202"	95.6873426666667	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+3H"	3.021828
"653139"	143.027376	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+3H"	3.021828
"1172359"	48.3473093333333	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+3H"	3.021828
"429068"	302.074023	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+NH4"	18.033823
"796263"	444.094123	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+NH4"	18.033823
"1689676"	160.053923	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+NH4"	18.033823
"341241"	151.5406495	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+H+NH4"	19.041099
"732203"	222.5506995	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+H+NH4"	19.041099
"1486388"	80.5305995	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H+NH4"	19.041099
"400694"	307.029418	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+Na"	22.989218
"761689"	449.049518	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+Na"	22.989218
"1608691"	165.009318	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Na"	22.989218
"318730"	154.018347	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+H+Na"	23.996494
"718805"	225.028397	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+H+Na"	23.996494
"1471534"	83.008297	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H+Na"	23.996494
"1059313"	55.6746233333333	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2H+Na"	25.00377
"1269738"	175.053586	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+CH3OH+H"	33.033486
"388312"	323.003358	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+K"	38.963158
"746029"	465.023458	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+K"	38.963158
"1548082"	180.983258	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+K"	38.963158
"308177"	162.005317	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+H+K"	39.970434
"702786"	233.015367	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+H+K"	39.970434
"1459886"	90.995267	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H+K"	39.970434
"248853"	326.074026	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+ACN+H"	42.033826
"1218279"	184.053926	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+ACN+H"	42.033826
"1204350"	92.530601	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+ACN+2H"	43.041102
"195035"	329.01136	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+2Na-H"	44.97116
"636783"	471.03146	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+2Na-H"	44.97116
"1137007"	186.99126	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2Na-H"	44.97116
"183586"	165.009318	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+2Na"	45.978436
"619866"	236.019368	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+2Na"	45.978436
"1123372"	93.999268	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2Na"	45.978436
"1408355"	63.0019373333333	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H+2Na"	46.985712
"1444368"	189.032846	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H+HCOOH"	47.012746
"231631"	170.04234	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+3H2O+2H"	56.04448
"1524074"	203.08489	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+IsoProp+H"	61.06479
"423525"	172.996288	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+Na+K"	61.952376
"785239"	244.006338	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+Na+K"	61.952376
"1679624"	101.986238	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Na+K"	61.952376
"264685"	348.055968	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+ACN+Na"	64.015768
"1238853"	206.035868	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+ACN+Na"	64.015768
"1726404"	206.059393	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+NH4+HCOOH"	64.039293
"1193338"	70.3292513333333	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+3Na"	68.967654
"1664197"	211.014788	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Na+HCOOH"	68.994688
"171299"	360.95924	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+2K-H"	76.91904
"611225"	502.97934	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+2K-H"	76.91904
"1099511"	218.93914	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2K-H"	76.91904
"151461"	180.983258	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"2M+2K"	77.926316
"586648"	251.993308	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"3M+2K"	77.926316
"1075532"	109.973208	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2K"	77.926316
"1110928"	220.953692	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2K+H"	78.933592
"1340752"	221.041307	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+DMSO+H"	79.021207
"1016940"	225.080476	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2ACN+H"	83.060376
"1538471"	226.074108	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+IsoProp+Na+H"	84.054008
"1000421"	113.043876	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+2ACN+2H"	84.067652
"1600401"	226.988728	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+K+HCOOH"	84.968628
"1427882"	257.020238	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+H+CF3COOH"	115.000138
"1155253"	133.557151	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+3ACN+2H"	125.094202
"1705898"	274.046785	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+NH4+CF3COOH"	132.026685
"1640455"	279.00218	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+Na+CF3COOH"	136.98208
"1584854"	294.97612	"C19265"	"Methylthiouracil"	"C5H6N2OS"	"142.0201"	"M+K+CF3COOH"	152.95602
"805378"	268.1576	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M"	0
"985476"	249.13921	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-H2O-H"	-19.01839
"65699"	177.764457333333	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M-3H"	-3.021828
"512186"	267.150324	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M-3H"	-3.021828
"888895"	88.3785906666667	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-3H"	-3.021828
"7472"	267.150324	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M-2H"	-2.014552
"448126"	401.229124	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M-2H"	-2.014552
"820457"	133.071524	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-2H"	-2.014552
"83730"	535.307924	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M-H"	-1.007276
"524383"	803.465524	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M-H"	-1.007276
"903281"	267.150324	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-H"	-1.007276
"56566"	552.334471	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M-2H+NH4"	16.019271
"498312"	820.492071	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M-2H+NH4"	16.019271
"869551"	284.176871	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-2H+NH4"	16.019271
"38546"	557.289866	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M-2H+Na"	20.974666
"478110"	825.447466	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M-2H+Na"	20.974666
"855907"	289.132266	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-2H+Na"	20.974666
"1624350"	289.132266	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Na-2H"	20.974666
"95773"	285.138663	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M-H+Cl"	33.962126
"544819"	419.217463	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M-H+Cl"	33.962126
"940522"	151.059863	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-H+Cl"	33.962126
"280172"	571.284602	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+Cl"	34.969402
"666032"	839.442202	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+Cl"	34.969402
"1276250"	303.127002	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Cl"	34.969402
"29015"	573.263806	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M-2H+K"	36.948606
"463835"	841.421406	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M-2H+K"	36.948606
"841636"	305.106206	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-2H+K"	36.948606
"1557467"	305.106206	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+K-2H"	36.948606
"943527"	313.155794	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-H+HCOOH"	44.998194
"367940"	581.313401	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+HCOOH-H"	44.998201
"346350"	595.329051	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+Hac-H"	59.013851
"1495553"	327.171451	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Hac-H"	59.013851
"963825"	335.137751	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-H+NaCOOH"	66.980151
"120388"	303.127002	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+2Cl"	69.938804
"559950"	437.205802	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+2Cl"	69.938804
"1026563"	169.048202	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2Cl"	69.938804
"1245047"	347.076485	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Br"	78.918885
"1305308"	349.132472	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Cl+HCOOH"	80.974872
"1320251"	371.114429	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Cl+NaCOOH"	102.956829
"912765"	381.143186	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M-H+CF3COOH"	112.985586
"1289350"	417.119864	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Cl+CF3COOH"	148.962264
"1367635"	233.144924	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H-2H2O"	-35.012676
"1384771"	251.1549	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H-H2O"	-17.0027
"284820"	537.322476	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+H"	1.007276
"676875"	805.480076	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+H"	1.007276
"1352865"	269.164876	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H"	1.007276
"131958"	269.164876	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+2H"	2.014552
"578446"	403.243676	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+2H"	2.014552
"1046151"	135.086076	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2H"	2.014552
"208216"	179.779009333333	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+3H"	3.021828
"647781"	269.164876	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+3H"	3.021828
"1171374"	90.3931426666667	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+3H"	3.021828
"428083"	554.349023	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+NH4"	18.033823
"790172"	822.506623	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+NH4"	18.033823
"1684681"	286.191423	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+NH4"	18.033823
"339163"	277.6781495	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+H+NH4"	19.041099
"733407"	411.7569495	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+H+NH4"	19.041099
"1484311"	143.5993495	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H+NH4"	19.041099
"401897"	559.304418	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+Na"	22.989218
"763985"	827.462018	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+Na"	22.989218
"1607708"	291.146818	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Na"	22.989218
"319932"	280.155847	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+H+Na"	23.996494
"712353"	414.234647	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+H+Na"	23.996494
"1471644"	146.077047	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H+Na"	23.996494
"1059423"	97.7204566666667	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2H+Na"	25.00377
"1270941"	301.191086	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+CH3OH+H"	33.033486
"390609"	575.278358	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+K"	38.963158
"746139"	843.435958	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+K"	38.963158
"1548192"	307.120758	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+K"	38.963158
"309743"	288.142817	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+H+K"	39.970434
"698884"	422.221617	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+H+K"	39.970434
"1458172"	154.064017	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H+K"	39.970434
"244588"	578.349026	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+ACN+H"	42.033826
"1215109"	310.191426	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+ACN+H"	42.033826
"1200086"	155.599351	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+ACN+2H"	43.041102
"194051"	581.28636	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+2Na-H"	44.97116
"633612"	849.44396	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+2Na-H"	44.97116
"1134931"	313.12876	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2Na-H"	44.97116
"182603"	291.146818	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+2Na"	45.978436
"621069"	425.225618	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+2Na"	45.978436
"1123482"	157.068018	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2Na"	45.978436
"1407006"	105.047770666667	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H+2Na"	46.985712
"1443628"	315.170346	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H+HCOOH"	47.012746
"227730"	296.17984	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+3H2O+2H"	56.04448
"1522602"	329.22239	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+IsoProp+H"	61.06479
"420583"	299.133788	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+Na+K"	61.952376
"783400"	433.212588	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+Na+K"	61.952376
"1678270"	165.054988	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Na+K"	61.952376
"266129"	600.330968	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+ACN+Na"	64.015768
"1238597"	332.173368	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+ACN+Na"	64.015768
"1727365"	332.196893	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+NH4+HCOOH"	64.039293
"1193893"	112.375084666667	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+3Na"	68.967654
"1664428"	337.152288	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Na+HCOOH"	68.994688
"171656"	613.23424	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+2K-H"	76.91904
"612432"	881.39184	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+2K-H"	76.91904
"1093661"	345.07664	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2K-H"	76.91904
"151571"	307.120758	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"2M+2K"	77.926316
"584935"	441.199558	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"3M+2K"	77.926316
"1077830"	173.041958	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2K"	77.926316
"1109944"	347.091192	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2K+H"	78.933592
"1343049"	347.178807	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+DMSO+H"	79.021207
"1017050"	351.217976	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2ACN+H"	83.060376
"1537364"	352.211608	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+IsoProp+Na+H"	84.054008
"1001624"	176.112626	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+2ACN+2H"	84.067652
"1601242"	353.126228	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+K+HCOOH"	84.968628
"1427263"	383.157738	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+H+CF3COOH"	115.000138
"1155363"	196.625901	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+3ACN+2H"	125.094202
"1706008"	400.184285	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+NH4+CF3COOH"	132.026685
"1640565"	405.13968	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+Na+CF3COOH"	136.98208
"1584964"	421.11362	"C19266"	"44-Bis(dimethylamino)benzophenone;Michlers ketone"	"C17H20N2O"	"268.1576"	"M+K+CF3COOH"	152.95602
"807675"	324.107	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M"	0
"987773"	305.08861	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-H2O-H"	-19.01839
"67268"	215.064057333333	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M-3H"	-3.021828
"510109"	323.099724	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M-3H"	-3.021828
"886819"	107.028390666667	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-3H"	-3.021828
"1013"	323.099724	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M-2H"	-2.014552
"442767"	485.153224	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M-2H"	-2.014552
"819109"	161.046224	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-2H"	-2.014552
"83840"	647.206724	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M-H"	-1.007276
"521576"	971.313724	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M-H"	-1.007276
"899013"	323.099724	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-H"	-1.007276
"57769"	664.233271	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M-2H+NH4"	16.019271
"498422"	988.340271	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M-2H+NH4"	16.019271
"871850"	340.126271	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-2H+NH4"	16.019271
"39748"	669.188666	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M-2H+Na"	20.974666
"481498"	993.295666	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M-2H+Na"	20.974666
"859296"	345.081666	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-2H+Na"	20.974666
"1623365"	345.081666	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Na-2H"	20.974666
"96611"	341.088063	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M-H+Cl"	33.962126
"541649"	503.141563	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M-H+Cl"	33.962126
"940632"	179.034563	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-H+Cl"	33.962126
"279188"	683.183402	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+Cl"	34.969402
"666142"	1007.290402	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+Cl"	34.969402
"1280733"	359.076402	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Cl"	34.969402
"29125"	685.162606	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M-2H+K"	36.948606
"467225"	1009.269606	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M-2H+K"	36.948606
"841746"	361.055606	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-2H+K"	36.948606
"1561953"	361.055606	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+K-2H"	36.948606
"945822"	369.105194	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-H+HCOOH"	44.998194
"362819"	693.212201	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+HCOOH-H"	44.998201
"348649"	707.227851	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+Hac-H"	59.013851
"1498214"	383.120851	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Hac-H"	59.013851
"960648"	391.087151	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-H+NaCOOH"	66.980151
"120498"	359.076402	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+2Cl"	69.938804
"561153"	521.129902	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+2Cl"	69.938804
"1022298"	197.022902	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2Cl"	69.938804
"1244792"	403.025885	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Br"	78.918885
"1306145"	405.081872	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Cl+HCOOH"	80.974872
"1320361"	427.063829	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Cl+NaCOOH"	102.956829
"911904"	437.092586	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M-H+CF3COOH"	112.985586
"1289703"	473.069264	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Cl+CF3COOH"	148.962264
"1368839"	289.094324	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H-2H2O"	-35.012676
"1384881"	307.1043	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H-H2O"	-17.0027
"284566"	649.221276	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+H"	1.007276
"678805"	973.328276	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+H"	1.007276
"1352366"	325.114276	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H"	1.007276
"137538"	325.114276	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+2H"	2.014552
"577098"	487.167776	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+2H"	2.014552
"1047720"	163.060776	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2H"	2.014552
"206504"	217.078609333333	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+3H"	3.021828
"646798"	325.114276	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+3H"	3.021828
"1169297"	109.042942666667	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+3H"	3.021828
"426360"	666.247823	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+NH4"	18.033823
"792472"	990.354823	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+NH4"	18.033823
"1686615"	342.140823	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+NH4"	18.033823
"338176"	333.6275495	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+H+NH4"	19.041099
"729506"	495.6810495	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+H+NH4"	19.041099
"1482233"	171.5740495	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H+NH4"	19.041099
"397632"	671.203218	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+Na"	22.989218
"759721"	995.310218	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+Na"	22.989218
"1606725"	347.096218	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Na"	22.989218
"317856"	336.105247	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+H+Na"	23.996494
"716838"	498.158747	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+H+Na"	23.996494
"1471756"	174.051747	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H+Na"	23.996494
"1059533"	116.370256666667	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2H+Na"	25.00377
"1271051"	357.140486	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+CH3OH+H"	33.033486
"385253"	687.177158	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+K"	38.963158
"752810"	1011.284158	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+K"	38.963158
"1548302"	363.070158	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+K"	38.963158
"307667"	344.092217	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+H+K"	39.970434
"696807"	506.145717	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+H+K"	39.970434
"1453909"	182.038717	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H+K"	39.970434
"244698"	690.247826	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+ACN+H"	42.033826
"1214125"	366.140826	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+ACN+H"	42.033826
"1199104"	183.574051	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+ACN+2H"	43.041102
"196348"	693.18516	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+2Na-H"	44.97116
"638100"	1017.29216	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+2Na-H"	44.97116
"1137229"	369.07816	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2Na-H"	44.97116
"180526"	347.096218	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+2Na"	45.978436
"621179"	509.149718	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+2Na"	45.978436
"1123593"	185.042718	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2Na"	45.978436
"1408209"	123.697570666667	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H+2Na"	46.985712
"1444225"	371.119746	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H+HCOOH"	47.012746
"234895"	352.12924	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+3H2O+2H"	56.04448
"1521008"	385.17179	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+IsoProp+H"	61.06479
"421056"	355.083188	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+Na+K"	61.952376
"782781"	517.136688	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+Na+K"	61.952376
"1677289"	193.029688	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Na+K"	61.952376
"262715"	712.229768	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+ACN+Na"	64.015768
"1239434"	388.122768	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+ACN+Na"	64.015768
"1726132"	388.146293	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+NH4+HCOOH"	64.039293
"1191487"	131.024884666667	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+3Na"	68.967654
"1661742"	393.101688	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Na+HCOOH"	68.994688
"165325"	725.13304	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+2K-H"	76.91904
"611325"	1049.24004	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+2K-H"	76.91904
"1094865"	401.02604	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2K-H"	76.91904
"149496"	363.070158	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"2M+2K"	77.926316
"590148"	525.123658	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"3M+2K"	77.926316
"1075753"	201.016658	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2K"	77.926316
"1110054"	403.040592	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2K+H"	78.933592
"1342066"	403.128207	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+DMSO+H"	79.021207
"1016067"	407.167376	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2ACN+H"	83.060376
"1539300"	408.161008	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+IsoProp+Na+H"	84.054008
"1001734"	204.087326	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+2ACN+2H"	84.067652
"1600988"	409.075628	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+K+HCOOH"	84.968628
"1427371"	439.107138	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+H+CF3COOH"	115.000138
"1158754"	224.600601	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+3ACN+2H"	125.094202
"1706118"	456.133685	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+NH4+CF3COOH"	132.026685
"1638488"	461.08908	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+Na+CF3COOH"	136.98208
"1585074"	477.06302	"C19267"	"Levofuraltadone;5-(Morpholinomethyl)-3-(5-nitrofurfurylidene)amino-2- oxazolidinone"	"C13H16N4O6"	"324.107"	"M+K+CF3COOH"	152.95602
"805598"	214.0161	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M"	0
"986790"	194.99771	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-H2O-H"	-19.01839
"72844"	141.670124	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M-3H"	-3.021828
"511312"	213.008824	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M-3H"	-3.021828
"891304"	70.331424	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-3H"	-3.021828
"5502"	213.008824	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M-2H"	-2.014552
"447251"	320.016874	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M-2H"	-2.014552
"825053"	106.000774	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-2H"	-2.014552
"87231"	427.024924	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M-H"	-1.007276
"521688"	641.041024	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M-H"	-1.007276
"899488"	213.008824	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-H"	-1.007276
"58968"	444.051471	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M-2H+NH4"	16.019271
"498529"	658.067571	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M-2H+NH4"	16.019271
"876332"	230.035371	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-2H+NH4"	16.019271
"44230"	449.006866	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M-2H+Na"	20.974666
"481608"	663.022966	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M-2H+Na"	20.974666
"858312"	234.990766	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-2H+Na"	20.974666
"1621283"	234.990766	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Na-2H"	20.974666
"97811"	230.997163	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M-H+Cl"	33.962126
"545040"	338.005213	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M-H+Cl"	33.962126
"937463"	123.989113	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-H+Cl"	33.962126
"276019"	463.001602	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+Cl"	34.969402
"669533"	677.017702	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+Cl"	34.969402
"1280843"	248.985502	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Cl"	34.969402
"29236"	464.980806	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M-2H+K"	36.948606
"469158"	678.996906	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M-2H+K"	36.948606
"841856"	250.964706	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-2H+K"	36.948606
"1563158"	250.964706	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+K-2H"	36.948606
"946663"	259.014294	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-H+HCOOH"	44.998194
"365608"	473.030401	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+HCOOH-H"	44.998201
"357512"	487.046051	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+Hac-H"	59.013851
"1503065"	273.029951	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Hac-H"	59.013851
"965138"	280.996251	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-H+NaCOOH"	66.980151
"117328"	248.985502	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+2Cl"	69.938804
"564185"	355.993552	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+2Cl"	69.938804
"1023866"	141.977452	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2Cl"	69.938804
"1244173"	292.934985	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Br"	78.918885
"1304798"	294.990972	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Cl+HCOOH"	80.974872
"1321565"	316.972929	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Cl+NaCOOH"	102.956829
"911566"	327.001686	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M-H+CF3COOH"	112.985586
"1288964"	362.978364	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Cl+CF3COOH"	148.962264
"1368221"	179.003424	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H-2H2O"	-35.012676
"1383166"	197.0134	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H-H2O"	-17.0027
"284189"	429.039476	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+H"	1.007276
"676487"	643.055576	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+H"	1.007276
"1354178"	215.023376	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H"	1.007276
"139837"	215.023376	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+2H"	2.014552
"579396"	322.031426	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+2H"	2.014552
"1046736"	108.015326	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2H"	2.014552
"211719"	143.684676	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+3H"	3.021828
"652376"	215.023376	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+3H"	3.021828
"1169407"	72.345976	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+3H"	3.021828
"425746"	446.066023	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+NH4"	18.033823
"793675"	660.082123	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+NH4"	18.033823
"1686725"	232.049923	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+NH4"	18.033823
"336103"	223.5366495	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+H+NH4"	19.041099
"726336"	330.5446995	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+H+NH4"	19.041099
"1483796"	116.5285995	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H+NH4"	19.041099
"402120"	451.021418	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+Na"	22.989218
"760925"	665.037518	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+Na"	22.989218
"1610117"	237.005318	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Na"	22.989218
"321247"	226.014347	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+H+Na"	23.996494
"715856"	333.022397	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+H+Na"	23.996494
"1467489"	119.006297	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H+Na"	23.996494
"1060736"	79.67329	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2H+Na"	25.00377
"1267881"	247.049586	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+CH3OH+H"	33.033486
"387551"	466.995358	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+K"	38.963158
"749643"	681.011458	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+K"	38.963158
"1550601"	252.979258	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+K"	38.963158
"306685"	234.001317	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+H+K"	39.970434
"703480"	341.009367	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+H+K"	39.970434
"1454020"	126.993267	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H+K"	39.970434
"244808"	470.066026	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+ACN+H"	42.033826
"1212049"	256.049926	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+ACN+H"	42.033826
"1201402"	128.528601	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+ACN+2H"	43.041102
"196461"	473.00336	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+2Na-H"	44.97116
"638210"	687.01946	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+2Na-H"	44.97116
"1137340"	258.98726	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2Na-H"	44.97116
"185008"	237.005318	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+2Na"	45.978436
"626394"	344.013368	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+2Na"	45.978436
"1129899"	129.997268	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2Na"	45.978436
"1412693"	87.000604	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H+2Na"	46.985712
"1445518"	261.028846	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H+HCOOH"	47.012746
"235250"	242.03834	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+3H2O+2H"	56.04448
"1522940"	275.08089	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+IsoProp+H"	61.06479
"422626"	244.992288	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+Na+K"	61.952376
"784351"	352.000338	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+Na+K"	61.952376
"1679223"	137.984238	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Na+K"	61.952376
"264649"	492.047968	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+ACN+Na"	64.015768
"1240272"	278.031868	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+ACN+Na"	64.015768
"1727826"	278.055393	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+NH4+HCOOH"	64.039293
"1191962"	94.327918	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+3Na"	68.967654
"1664895"	283.010788	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Na+HCOOH"	68.994688
"168716"	504.95124	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+2K-H"	76.91904
"607183"	718.96734	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+2K-H"	76.91904
"1096068"	290.93514	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2K-H"	76.91904
"146325"	252.979258	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"2M+2K"	77.926316
"586977"	359.987308	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"3M+2K"	77.926316
"1071852"	145.971208	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2K"	77.926316
"1104697"	292.949692	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2K+H"	78.933592
"1340353"	293.037307	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+DMSO+H"	79.021207
"1016177"	297.076476	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2ACN+H"	83.060376
"1539612"	298.070108	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+IsoProp+Na+H"	84.054008
"1001844"	149.041876	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+2ACN+2H"	84.067652
"1600369"	298.984728	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+K+HCOOH"	84.968628
"1428574"	329.016238	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+H+CF3COOH"	115.000138
"1158864"	169.555151	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+3ACN+2H"	125.094202
"1706228"	346.042785	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+NH4+CF3COOH"	132.026685
"1638598"	350.99818	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+Na+CF3COOH"	136.98208
"1585184"	366.97212	"C19268"	"Niridazole"	"C6H6N4O3S"	"214.0161"	"M+K+CF3COOH"	152.95602
"807895"	199.0633	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M"	0
"986896"	180.04491	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-H2O-H"	-19.01839
"74044"	131.701590666667	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M-3H"	-3.021828
"513609"	198.056024	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M-3H"	-3.021828
"892143"	65.3471573333333	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-3H"	-3.021828
"7799"	198.056024	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M-2H"	-2.014552
"447361"	297.587674	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M-2H"	-2.014552
"825163"	98.524374	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-2H"	-2.014552
"86248"	397.119324	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M-H"	-1.007276
"521434"	596.182624	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M-H"	-1.007276
"899235"	198.056024	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-H"	-1.007276
"55799"	414.145871	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M-2H+NH4"	16.019271
"497546"	613.209171	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M-2H+NH4"	16.019271
"876442"	215.082571	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-2H+NH4"	16.019271
"42154"	419.101266	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M-2H+Na"	20.974666
"483904"	618.164566	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M-2H+Na"	20.974666
"857329"	220.037966	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-2H+Na"	20.974666
"1625767"	220.037966	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Na-2H"	20.974666
"96828"	216.044363	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M-H+Cl"	33.962126
"544057"	315.576013	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M-H+Cl"	33.962126
"937573"	116.512713	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-H+Cl"	33.962126
"279409"	433.096002	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+Cl"	34.969402
"671830"	632.159302	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+Cl"	34.969402
"1283140"	234.032702	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Cl"	34.969402
"27887"	435.075206	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M-2H+K"	36.948606
"467446"	634.138506	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M-2H+K"	36.948606
"845246"	236.011906	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-2H+K"	36.948606
"1563268"	236.011906	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+K-2H"	36.948606
"944588"	244.061494	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-H+HCOOH"	44.998194
"364990"	443.124801	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+HCOOH-H"	44.998201
"357622"	457.140451	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+Hac-H"	59.013851
"1503175"	258.077151	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Hac-H"	59.013851
"966341"	266.043451	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-H+NaCOOH"	66.980151
"117438"	234.032702	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+2Cl"	69.938804
"561373"	333.564352	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+2Cl"	69.938804
"1026162"	134.501052	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2Cl"	69.938804
"1244283"	277.982185	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Br"	78.918885
"1304542"	280.038172	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Cl+HCOOH"	80.974872
"1320174"	302.020129	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Cl+NaCOOH"	102.956829
"911637"	312.048886	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M-H+CF3COOH"	112.985586
"1288587"	348.025564	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Cl+CF3COOH"	148.962264
"1368087"	164.050624	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H-2H2O"	-35.012676
"1383194"	182.0606	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H-H2O"	-17.0027
"284178"	399.133876	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+H"	1.007276
"677206"	598.197176	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+H"	1.007276
"1353924"	200.070576	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H"	1.007276
"139583"	200.070576	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+2H"	2.014552
"580113"	299.602226	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+2H"	2.014552
"1046846"	100.538926	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2H"	2.014552
"211829"	133.716142666667	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+3H"	3.021828
"652486"	200.070576	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+3H"	3.021828
"1169517"	67.3617093333333	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+3H"	3.021828
"425128"	416.160423	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+NH4"	18.033823
"791598"	615.223723	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+NH4"	18.033823
"1685740"	217.097123	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+NH4"	18.033823
"336210"	208.5838495	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+H+NH4"	19.041099
"728632"	308.1154995	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+H+NH4"	19.041099
"1481356"	109.0521995	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H+NH4"	19.041099
"396755"	421.115818	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+Na"	22.989218
"759936"	620.179118	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+Na"	22.989218
"1604752"	222.052518	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Na"	22.989218
"320264"	211.061547	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+H+Na"	23.996494
"711592"	310.593197	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+H+Na"	23.996494
"1464319"	111.529897	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H+Na"	23.996494
"1056471"	74.6890233333333	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2H+Na"	25.00377
"1264709"	232.096786	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+CH3OH+H"	33.033486
"388753"	437.089758	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+K"	38.963158
"749751"	636.153058	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+K"	38.963158
"1551803"	238.026458	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+K"	38.963158
"305700"	219.048517	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+H+K"	39.970434
"695935"	318.580167	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+H+K"	39.970434
"1455223"	119.516867	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H+K"	39.970434
"241638"	440.160426	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+ACN+H"	42.033826
"1211067"	241.097126	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+ACN+H"	42.033826
"1201513"	121.052201	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+ACN+2H"	43.041102
"192196"	443.09776	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+2Na-H"	44.97116
"638319"	642.16106	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+2Na-H"	44.97116
"1138543"	244.03446	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2Na-H"	44.97116
"180743"	222.052518	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+2Na"	45.978436
"625409"	321.584168	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+2Na"	45.978436
"1123811"	122.520868	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2Na"	45.978436
"1410615"	82.0163373333333	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H+2Na"	46.985712
"1444926"	246.076046	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H+HCOOH"	47.012746
"232433"	227.08554	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+3H2O+2H"	56.04448
"1523657"	260.12809	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+IsoProp+H"	61.06479
"420183"	230.039488	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+Na+K"	61.952376
"784095"	329.571138	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+Na+K"	61.952376
"1678602"	130.507838	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Na+K"	61.952376
"262933"	462.142368	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+ACN+Na"	64.015768
"1237466"	263.079068	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+ACN+Na"	64.015768
"1720156"	263.102593	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+NH4+HCOOH"	64.039293
"1192070"	89.3436513333333	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+3Na"	68.967654
"1665002"	268.057988	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Na+HCOOH"	68.994688
"163358"	475.04564	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+2K-H"	76.91904
"604012"	674.10894	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+2K-H"	76.91904
"1096180"	275.98234	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2K-H"	76.91904
"143519"	238.026458	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"2M+2K"	77.926316
"596571"	337.558108	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"3M+2K"	77.926316
"1078162"	138.494808	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2K"	77.926316
"1112465"	277.996892	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2K+H"	78.933592
"1341195"	278.084507	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+DMSO+H"	79.021207
"1020673"	282.123676	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2ACN+H"	83.060376
"1539034"	283.117308	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+IsoProp+Na+H"	84.054008
"1004143"	141.565476	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+2ACN+2H"	84.067652
"1602663"	284.031928	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+K+HCOOH"	84.968628
"1427591"	314.063438	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+H+CF3COOH"	115.000138
"1154598"	162.078751	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+3ACN+2H"	125.094202
"1703055"	331.089985	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+NH4+CF3COOH"	132.026685
"1638708"	336.04538	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+Na+CF3COOH"	136.98208
"1585294"	352.01932	"C19269"	"5-Nitroacenaphthene"	"C12H9NO2"	"199.0633"	"M+K+CF3COOH"	152.95602
"805818"	153.0426	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M"	0
"987006"	134.02421	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H2O-H"	-19.01839
"73061"	101.021124	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-3H"	-3.021828
"510439"	152.035324	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-3H"	-3.021828
"891524"	50.006924	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-3H"	-3.021828
"9003"	152.035324	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H"	-2.014552
"446378"	228.556624	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H"	-2.014552
"824180"	75.514024	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H"	-2.014552
"89639"	305.077924	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-H"	-1.007276
"527011"	458.120524	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-H"	-1.007276
"902626"	152.035324	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H"	-1.007276
"59189"	322.104471	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H+NH4"	16.019271
"499967"	475.147071	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H+NH4"	16.019271
"875460"	169.061871	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H+NH4"	16.019271
"38985"	327.059866	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H+Na"	20.974666
"481826"	480.102466	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H+Na"	20.974666
"857440"	174.017266	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H+Na"	20.974666
"1624785"	174.017266	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na-2H"	20.974666
"98033"	170.023663	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-H+Cl"	33.962126
"546719"	246.544963	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-H+Cl"	33.962126
"936955"	93.502363	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+Cl"	33.962126
"279155"	341.054602	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Cl"	34.969402
"673033"	494.097202	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+Cl"	34.969402
"1283250"	188.012002	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl"	34.969402
"27997"	343.033806	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M-2H+K"	36.948606
"467556"	496.076406	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M-2H+K"	36.948606
"844992"	189.991206	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-2H+K"	36.948606
"1563742"	189.991206	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K-2H"	36.948606
"944698"	198.040794	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+HCOOH"	44.998194
"364007"	351.083401	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+HCOOH-H"	44.998201
"354452"	365.099051	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Hac-H"	59.013851
"1502192"	212.056451	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Hac-H"	59.013851
"963535"	220.022751	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+NaCOOH"	66.980151
"118641"	188.012002	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2Cl"	69.938804
"561483"	264.533302	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2Cl"	69.938804
"1024449"	111.490702	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2Cl"	69.938804
"1245122"	231.961485	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Br"	78.918885
"1305382"	234.017472	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl+HCOOH"	80.974872
"1320117"	255.999429	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl+NaCOOH"	102.956829
"911743"	266.028186	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M-H+CF3COOH"	112.985586
"1288817"	302.004864	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Cl+CF3COOH"	148.962264
"1368318"	118.029924	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H-2H2O"	-35.012676
"1384482"	136.0399	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H-H2O"	-17.0027
"284168"	307.092476	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H"	1.007276
"677681"	460.135076	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H"	1.007276
"1360590"	154.049876	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H"	1.007276
"140665"	154.049876	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2H"	2.014552
"580223"	230.571176	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2H"	2.014552
"1046227"	77.528576	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2H"	2.014552
"211939"	103.035676	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+3H"	3.021828
"652596"	154.049876	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+3H"	3.021828
"1169627"	52.021476	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+3H"	3.021828
"425238"	324.119023	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+NH4"	18.033823
"790615"	477.161623	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+NH4"	18.033823
"1683664"	171.076423	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+NH4"	18.033823
"336321"	162.5631495	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H+NH4"	19.041099
"729836"	239.0844495	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H+NH4"	19.041099
"1480737"	86.0418495	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+NH4"	19.041099
"397959"	329.074418	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Na"	22.989218
"757861"	482.117018	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+Na"	22.989218
"1603525"	176.031818	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na"	22.989218
"319280"	165.040847	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H+Na"	23.996494
"711700"	241.562147	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H+Na"	23.996494
"1466612"	88.519547	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+Na"	23.996494
"1053665"	59.34879	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2H+Na"	25.00377
"1262633"	186.076086	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+CH3OH+H"	33.033486
"388863"	345.048358	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+K"	38.963158
"748768"	498.090958	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+K"	38.963158
"1551913"	192.005758	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K"	38.963158
"304717"	173.027817	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+H+K"	39.970434
"696045"	249.549117	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+H+K"	39.970434
"1457885"	96.506517	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+K"	39.970434
"247944"	348.119026	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+ACN+H"	42.033826
"1216644"	195.076426	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+ACN+H"	42.033826
"1201623"	98.041851	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+ACN+2H"	43.041102
"193400"	351.05636	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2Na-H"	44.97116
"636242"	504.09896	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2Na-H"	44.97116
"1136466"	198.01376	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2Na-H"	44.97116
"179760"	176.031818	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2Na"	45.978436
"625155"	252.553118	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2Na"	45.978436
"1122828"	99.510518	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2Na"	45.978436
"1410361"	66.676104	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+2Na"	46.985712
"1444308"	200.055346	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+HCOOH"	47.012746
"233273"	181.06484	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+3H2O+2H"	56.04448
"1523766"	214.10739	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+IsoProp+H"	61.06479
"422845"	184.018788	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+Na+K"	61.952376
"785410"	260.540088	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+Na+K"	61.952376
"1677618"	107.497488	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na+K"	61.952376
"263043"	370.100968	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+ACN+Na"	64.015768
"1235753"	217.058368	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+ACN+Na"	64.015768
"1720266"	217.081893	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+NH4+HCOOH"	64.039293
"1193273"	74.003418	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+3Na"	68.967654
"1663897"	222.037288	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na+HCOOH"	68.994688
"163468"	383.00424	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2K-H"	76.91904
"607402"	536.04684	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2K-H"	76.91904
"1096290"	229.96164	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2K-H"	76.91904
"146545"	192.005758	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"2M+2K"	77.926316
"594855"	268.527058	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"3M+2K"	77.926316
"1078272"	115.484458	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2K"	77.926316
"1110388"	231.976192	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2K+H"	78.933592
"1343492"	232.063807	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+DMSO+H"	79.021207
"1019315"	236.102976	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2ACN+H"	83.060376
"1538534"	237.096608	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+IsoProp+Na+H"	84.054008
"1003160"	118.555126	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+2ACN+2H"	84.067652
"1590011"	238.011228	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K+HCOOH"	84.968628
"1426608"	268.042738	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+H+CF3COOH"	115.000138
"1153615"	139.068401	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+3ACN+2H"	125.094202
"1706445"	285.069285	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+NH4+CF3COOH"	132.026685
"1638818"	290.02468	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+Na+CF3COOH"	136.98208
"1585404"	305.99862	"C19270"	"2-Nitroanisole;o-Nitroanisole"	"C7H7NO3"	"153.0426"	"M+K+CF3COOH"	152.95602
"805928"	273.079	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M"	0
"984929"	254.06061	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-H2O-H"	-19.01839
"73171"	181.045390666667	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M-3H"	-3.021828
"508362"	272.071724	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M-3H"	-3.021828
"891634"	90.0190573333333	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-3H"	-3.021828
"6925"	272.071724	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M-2H"	-2.014552
"446488"	408.611224	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M-2H"	-2.014552
"824290"	135.532224	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-2H"	-2.014552
"88655"	545.150724	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M-H"	-1.007276
"526028"	818.229724	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M-H"	-1.007276
"900549"	272.071724	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-H"	-1.007276
"56019"	562.177271	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M-2H+NH4"	16.019271
"496674"	835.256271	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M-2H+NH4"	16.019271
"876543"	289.098271	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-2H+NH4"	16.019271
"41282"	567.132666	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M-2H+Na"	20.974666
"480842"	840.211666	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M-2H+Na"	20.974666
"857551"	294.053666	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-2H+Na"	20.974666
"1625988"	294.053666	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Na-2H"	20.974666
"95712"	290.060063	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M-H+Cl"	33.962126
"544277"	426.599563	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M-H+Cl"	33.962126
"938888"	153.520563	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-H+Cl"	33.962126
"278173"	581.127402	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+Cl"	34.969402
"664396"	854.206402	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+Cl"	34.969402
"1282267"	308.048402	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Cl"	34.969402
"27743"	583.106606	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M-2H+K"	36.948606
"465479"	856.185606	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M-2H+K"	36.948606
"838906"	310.027606	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-2H+K"	36.948606
"1560572"	310.027606	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+K-2H"	36.948606
"943714"	318.077194	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-H+HCOOH"	44.998194
"362088"	591.156201	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+HCOOH-H"	44.998201
"347150"	605.171851	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+Hac-H"	59.013851
"1496834"	332.092851	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Hac-H"	59.013851
"959999"	340.059151	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-H+NaCOOH"	66.980151
"114012"	308.048402	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+2Cl"	69.938804
"550136"	444.587902	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+2Cl"	69.938804
"1021373"	171.508902	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2Cl"	69.938804
"1242316"	351.997885	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Br"	78.918885
"1306585"	354.053872	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Cl+HCOOH"	80.974872
"1320311"	376.035829	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Cl+NaCOOH"	102.956829
"911649"	386.064586	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M-H+CF3COOH"	112.985586
"1289536"	422.041264	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Cl+CF3COOH"	148.962264
"1368060"	238.066324	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H-2H2O"	-35.012676
"1384222"	256.0763	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H-H2O"	-17.0027
"284275"	547.165276	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+H"	1.007276
"679246"	820.244276	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+H"	1.007276
"1358513"	274.086276	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H"	1.007276
"140411"	274.086276	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+2H"	2.014552
"580454"	410.625776	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+2H"	2.014552
"1046337"	137.546776	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2H"	2.014552
"209133"	183.059942666667	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+3H"	3.021828
"650519"	274.086276	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+3H"	3.021828
"1166457"	92.0336093333333	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+3H"	3.021828
"427167"	564.191823	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+NH4"	18.033823
"790725"	837.270823	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+NH4"	18.033823
"1682681"	291.112823	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+NH4"	18.033823
"332058"	282.5995495	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+H+NH4"	19.041099
"727759"	419.1390495	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+H+NH4"	19.041099
"1480482"	146.0600495	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H+NH4"	19.041099
"398068"	569.147218	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+Na"	22.989218
"756876"	842.226218	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+Na"	22.989218
"1603513"	296.068218	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Na"	22.989218
"318296"	285.077247	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+H+Na"	23.996494
"712901"	421.616747	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+H+Na"	23.996494
"1463440"	148.537747	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H+Na"	23.996494
"1055597"	99.3609233333333	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2H+Na"	25.00377
"1261649"	306.112486	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+CH3OH+H"	33.033486
"383502"	585.121158	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+K"	38.963158
"749969"	858.200158	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+K"	38.963158
"1549836"	312.042158	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+K"	38.963158
"304827"	293.064217	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+H+K"	39.970434
"696155"	429.603717	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+H+K"	39.970434
"1456172"	156.524717	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H+K"	39.970434
"248055"	588.191826	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+ACN+H"	42.033826
"1218940"	315.112826	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+ACN+H"	42.033826
"1201733"	158.060051	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+ACN+2H"	43.041102
"196786"	591.12916	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+2Na-H"	44.97116
"637445"	864.20816	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+2Na-H"	44.97116
"1140948"	318.05016	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2Na-H"	44.97116
"179870"	296.068218	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+2Na"	45.978436
"625265"	432.607718	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+2Na"	45.978436
"1122938"	159.528718	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2Na"	45.978436
"1409742"	106.688237333333	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H+2Na"	46.985712
"1442231"	320.091746	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H+HCOOH"	47.012746
"229373"	301.10124	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+3H2O+2H"	56.04448
"1523267"	334.14379	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+IsoProp+H"	61.06479
"419310"	304.055188	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+Na+K"	61.952376
"783220"	440.594688	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+Na+K"	61.952376
"1673354"	167.515688	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Na+K"	61.952376
"259873"	610.173768	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+ACN+Na"	64.015768
"1229303"	337.094768	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+ACN+Na"	64.015768
"1717096"	337.118293	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+NH4+HCOOH"	64.039293
"1190103"	114.015551333333	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+3Na"	68.967654
"1661090"	342.073688	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Na+HCOOH"	68.994688
"165764"	623.07704	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+2K-H"	76.91904
"604231"	896.15604	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+2K-H"	76.91904
"1093120"	349.99804	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2K-H"	76.91904
"146655"	312.042158	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"2M+2K"	77.926316
"592778"	448.581658	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"3M+2K"	77.926316
"1081662"	175.502658	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2K"	77.926316
"1110498"	352.012592	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2K+H"	78.933592
"1343602"	352.100207	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+DMSO+H"	79.021207
"1020398"	356.139376	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2ACN+H"	83.060376
"1537672"	357.133008	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+IsoProp+Na+H"	84.054008
"1002178"	178.573326	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+2ACN+2H"	84.067652
"1590121"	358.047628	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+K+HCOOH"	84.968628
"1427811"	388.079138	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+H+CF3COOH"	115.000138
"1157005"	199.086601	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+3ACN+2H"	125.094202
"1703275"	405.105685	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+NH4+CF3COOH"	132.026685
"1638928"	410.06108	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+Na+CF3COOH"	136.98208
"1585514"	426.03502	"C19271"	"6-Nitrochrysene"	"C18H11NO2"	"273.079"	"M+K+CF3COOH"	152.95602
"814424"	224.0546	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M"	0
"985039"	205.03621	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-H2O-H"	-19.01839
"68910"	148.362457333333	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M-3H"	-3.021828
"509565"	223.047324	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M-3H"	-3.021828
"890650"	73.6775906666667	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-3H"	-3.021828
"4849"	223.047324	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M-2H"	-2.014552
"446598"	335.074624	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M-2H"	-2.014552
"824400"	111.020024	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-2H"	-2.014552
"88765"	447.101924	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M-H"	-1.007276
"526138"	671.156524	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M-H"	-1.007276
"900658"	223.047324	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-H"	-1.007276
"56129"	464.128471	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M-2H+NH4"	16.019271
"494595"	688.183071	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M-2H+NH4"	16.019271
"875682"	240.073871	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-2H+NH4"	16.019271
"38112"	469.083866	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M-2H+Na"	20.974666
"479860"	693.138466	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M-2H+Na"	20.974666
"856568"	245.029266	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-2H+Na"	20.974666
"1628286"	245.029266	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Na-2H"	20.974666
"97160"	241.035663	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M-H+Cl"	33.962126
"544387"	353.062963	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M-H+Cl"	33.962126
"938634"	129.008363	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-H+Cl"	33.962126
"276825"	483.078602	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+Cl"	34.969402
"661226"	707.133202	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+Cl"	34.969402
"1282377"	259.024002	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Cl"	34.969402
"28217"	485.057806	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M-2H+K"	36.948606
"463402"	709.112406	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M-2H+K"	36.948606
"839016"	261.003206	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-2H+K"	36.948606
"1560682"	261.003206	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+K-2H"	36.948606
"944552"	269.052794	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-H+HCOOH"	44.998194
"362402"	493.107401	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+HCOOH-H"	44.998201
"347139"	507.123051	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+Hac-H"	59.013851
"1496944"	283.068451	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Hac-H"	59.013851
"961204"	291.034751	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-H+NaCOOH"	66.980151
"115945"	259.024002	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+2Cl"	69.938804
"550517"	371.051302	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+2Cl"	69.938804
"1023575"	146.996702	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2Cl"	69.938804
"1243154"	302.973485	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Br"	78.918885
"1304747"	305.029472	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Cl+HCOOH"	80.974872
"1321638"	327.011429	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Cl+NaCOOH"	102.956829
"912452"	337.040186	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M-H+CF3COOH"	112.985586
"1291227"	373.016864	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Cl+CF3COOH"	148.962264
"1369388"	189.041924	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H-2H2O"	-35.012676
"1383726"	207.0519	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H-H2O"	-17.0027
"284385"	449.116476	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+H"	1.007276
"678263"	673.171076	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+H"	1.007276
"1362633"	225.061876	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H"	1.007276
"138816"	225.061876	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+2H"	2.014552
"580564"	337.089176	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+2H"	2.014552
"1046447"	113.034576	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2H"	2.014552
"208150"	150.377009333333	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+3H"	3.021828
"650629"	225.061876	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+3H"	3.021828
"1167660"	75.6921426666667	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+3H"	3.021828
"427278"	466.143023	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+NH4"	18.033823
"790835"	690.197623	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+NH4"	18.033823
"1682425"	242.088423	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+NH4"	18.033823
"332166"	233.5751495	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+H+NH4"	19.041099
"725681"	345.6024495	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+H+NH4"	19.041099
"1480592"	121.5478495	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H+NH4"	19.041099
"393558"	471.098418	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+Na"	22.989218
"756985"	695.153018	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+Na"	22.989218
"1603380"	247.043818	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Na"	22.989218
"316212"	236.052847	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+H+Na"	23.996494
"707658"	348.080147	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+H+Na"	23.996494
"1461967"	124.025547	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H+Na"	23.996494
"1053762"	83.0194566666667	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2H+Na"	25.00377
"1261759"	257.088086	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+CH3OH+H"	33.033486
"379238"	487.072358	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+K"	38.963158
"747893"	711.126958	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+K"	38.963158
"1549946"	263.017758	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+K"	38.963158
"306030"	244.039817	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+H+K"	39.970434
"695171"	356.067117	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+H+K"	39.970434
"1454459"	132.012517	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H+K"	39.970434
"241969"	490.143026	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+ACN+H"	42.033826
"1215771"	266.088426	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+ACN+H"	42.033826
"1198562"	133.547851	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+ACN+2H"	43.041102
"192887"	493.08036	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+2Na-H"	44.97116
"634275"	717.13496	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+2Na-H"	44.97116
"1137780"	269.02576	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2Na-H"	44.97116
"179980"	247.043818	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+2Na"	45.978436
"627566"	359.071118	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+2Na"	45.978436
"1125235"	135.016518	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2Na"	45.978436
"1412407"	90.3467706666667	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H+2Na"	46.985712
"1443069"	271.067346	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H+HCOOH"	47.012746
"232034"	252.07684	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+3H2O+2H"	56.04448
"1517909"	285.11939	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+IsoProp+H"	61.06479
"417595"	255.030788	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+Na+K"	61.952376
"780414"	367.058088	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+Na+K"	61.952376
"1676745"	143.003488	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Na+K"	61.952376
"265451"	512.124968	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+ACN+Na"	64.015768
"1233787"	288.070368	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+ACN+Na"	64.015768
"1721215"	288.093893	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+NH4+HCOOH"	64.039293
"1192765"	97.6740846666667	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+3Na"	68.967654
"1662294"	293.049288	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Na+HCOOH"	68.994688
"163688"	525.02824	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+2K-H"	76.91904
"607621"	749.08284	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+2K-H"	76.91904
"1094324"	300.97364	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2K-H"	76.91904
"153326"	263.017758	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"2M+2K"	77.926316
"596543"	375.045058	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"3M+2K"	77.926316
"1083234"	150.990458	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2K"	77.926316
"1107328"	302.988192	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2K+H"	78.933592
"1343712"	303.075807	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+DMSO+H"	79.021207
"1020878"	307.114976	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2ACN+H"	83.060376
"1538024"	308.108608	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+IsoProp+Na+H"	84.054008
"1004232"	154.061126	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+2ACN+2H"	84.067652
"1587557"	309.023228	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+K+HCOOH"	84.968628
"1414591"	339.054738	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+H+CF3COOH"	115.000138
"1157115"	174.574401	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+3ACN+2H"	125.094202
"1703385"	356.081285	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+NH4+CF3COOH"	132.026685
"1639038"	361.03668	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+Na+CF3COOH"	136.98208
"1585624"	377.01062	"C19272"	"Nifuradene;1-(5-Nitrofurfurylidene)amino-2-imidazolidinone"	"C8H8N4O4"	"224.0546"	"M+K+CF3COOH"	152.95602
"814537"	253.0157	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M"	0
"987338"	233.99731	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-H2O-H"	-19.01839
"69020"	167.669857333333	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M-3H"	-3.021828
"511864"	252.008424	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M-3H"	-3.021828
"887480"	83.3312906666667	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-3H"	-3.021828
"4960"	252.008424	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M-2H"	-2.014552
"446708"	378.516274	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M-2H"	-2.014552
"824510"	125.500574	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-2H"	-2.014552
"87782"	505.024124	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M-H"	-1.007276
"524061"	758.039824	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M-H"	-1.007276
"897488"	252.008424	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-H"	-1.007276
"52959"	522.050671	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M-2H+NH4"	16.019271
"490332"	775.066371	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M-2H+NH4"	16.019271
"872509"	269.034971	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-2H+NH4"	16.019271
"36035"	527.006066	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M-2H+Na"	20.974666
"474500"	780.021766	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M-2H+Na"	20.974666
"855583"	273.990366	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-2H+Na"	20.974666
"1626210"	273.990366	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Na-2H"	20.974666
"99457"	269.996763	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M-H+Cl"	33.962126
"543403"	396.504613	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M-H+Cl"	33.962126
"936919"	143.488913	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-H+Cl"	33.962126
"276569"	541.000802	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+Cl"	34.969402
"662064"	794.016502	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+Cl"	34.969402
"1280300"	287.985102	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Cl"	34.969402
"25044"	542.980006	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M-2H+K"	36.948606
"463512"	795.995706	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M-2H+K"	36.948606
"841312"	289.964306	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-2H+K"	36.948606
"1560792"	289.964306	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+K-2H"	36.948606
"945027"	298.013894	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-H+HCOOH"	44.998194
"363607"	551.029601	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+HCOOH-H"	44.998201
"347856"	565.045251	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+Hac-H"	59.013851
"1500334"	312.029551	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Hac-H"	59.013851
"962043"	319.995851	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-H+NaCOOH"	66.980151
"116055"	287.985102	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+2Cl"	69.938804
"551359"	414.492952	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+2Cl"	69.938804
"1022592"	161.477252	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2Cl"	69.938804
"1245450"	331.934585	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Br"	78.918885
"1305102"	333.990572	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Cl+HCOOH"	80.974872
"1322113"	355.972529	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Cl+NaCOOH"	102.956829
"912806"	366.001286	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M-H+CF3COOH"	112.985586
"1292796"	401.977964	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Cl+CF3COOH"	148.962264
"1369502"	218.003024	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H-2H2O"	-35.012676
"1384444"	236.013	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H-H2O"	-17.0027
"284499"	507.038676	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+H"	1.007276
"678375"	760.054376	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+H"	1.007276
"1364569"	254.022976	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H"	1.007276
"135646"	254.022976	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+2H"	2.014552
"579580"	380.530826	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+2H"	2.014552
"1043277"	127.515126	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2H"	2.014552
"207896"	169.684409333333	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+3H"	3.021828
"648552"	254.022976	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+3H"	3.021828
"1167770"	85.3458426666667	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+3H"	3.021828
"425933"	524.065223	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+NH4"	18.033823
"788758"	777.080923	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+NH4"	18.033823
"1681602"	271.049523	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+NH4"	18.033823
"333734"	262.5362495	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+H+NH4"	19.041099
"727975"	389.0440995	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+H+NH4"	19.041099
"1477295"	136.0283995	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H+NH4"	19.041099
"392975"	529.020618	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+Na"	22.989218
"754908"	782.036318	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+Na"	22.989218
"1603203"	276.004918	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Na"	22.989218
"317047"	265.013947	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+H+Na"	23.996494
"708255"	391.521797	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+H+Na"	23.996494
"1461830"	138.506097	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H+Na"	23.996494
"1054722"	92.6731566666667	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2H+Na"	25.00377
"1262964"	286.049186	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+CH3OH+H"	33.033486
"385913"	544.994558	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+K"	38.963158
"743629"	798.010258	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+K"	38.963158
"1546777"	291.978858	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+K"	38.963158
"305045"	273.000917	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+H+K"	39.970434
"695281"	399.508767	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+H+K"	39.970434
"1450197"	146.493067	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H+K"	39.970434
"239890"	548.065226	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+ACN+H"	42.033826
"1212600"	295.049526	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+ACN+H"	42.033826
"1196480"	148.028401	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+ACN+2H"	43.041102
"193727"	551.00256	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+2Na-H"	44.97116
"634385"	804.01826	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+2Na-H"	44.97116
"1136799"	297.98686	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2Na-H"	44.97116
"181183"	276.004918	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+2Na"	45.978436
"626947"	402.512768	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+2Na"	45.978436
"1129721"	149.497068	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2Na"	45.978436
"1412154"	100.000470666667	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H+2Na"	46.985712
"1444638"	300.028446	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H+HCOOH"	47.012746
"233600"	281.03794	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+3H2O+2H"	56.04448
"1521301"	314.08049	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+IsoProp+H"	61.06479
"421352"	283.991888	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+Na+K"	61.952376
"780160"	410.499738	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+Na+K"	61.952376
"1676855"	157.484038	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Na+K"	61.952376
"265196"	570.047168	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+ACN+Na"	64.015768
"1236447"	317.031468	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+ACN+Na"	64.015768
"1724239"	317.054993	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+NH4+HCOOH"	64.039293
"1189594"	107.327784666667	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+3Na"	68.967654
"1662038"	322.010388	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Na+HCOOH"	68.994688
"168170"	582.95044	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+2K-H"	76.91904
"611010"	835.96614	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+2K-H"	76.91904
"1095528"	329.93474	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2K-H"	76.91904
"151251"	291.978858	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"2M+2K"	77.926316
"596278"	418.486708	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"3M+2K"	77.926316
"1083465"	165.471008	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2K"	77.926316
"1107438"	331.949292	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2K+H"	78.933592
"1343822"	332.036907	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+DMSO+H"	79.021207
"1019888"	336.076076	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2ACN+H"	83.060376
"1538134"	337.069708	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+IsoProp+Na+H"	84.054008
"1003491"	168.541676	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+2ACN+2H"	84.067652
"1602372"	337.984328	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+K+HCOOH"	84.968628
"1426937"	368.015838	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+H+CF3COOH"	115.000138
"1157227"	189.054951	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+3ACN+2H"	125.094202
"1708964"	385.042385	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+NH4+CF3COOH"	132.026685
"1642428"	389.99778	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+Na+CF3COOH"	136.98208
"1585734"	405.97172	"C19273"	"N-4-(5-Nitro-2-furyl)-2-thiazolylacetamide;Furothiazole"	"C9H7N3O4S"	"253.0157"	"M+K+CF3COOH"	152.95602
"806258"	171.0218	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M"	0
"989150"	152.00341	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-H2O-H"	-19.01839
"69130"	113.007257333333	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M-3H"	-3.021828
"509786"	170.014524	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M-3H"	-3.021828
"885404"	55.9999906666667	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-3H"	-3.021828
"3976"	170.014524	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M-2H"	-2.014552
"446818"	255.525424	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M-2H"	-2.014552
"821339"	84.503624	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-2H"	-2.014552
"79993"	341.036324	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M-H"	-1.007276
"523076"	512.058124	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M-H"	-1.007276
"898692"	170.014524	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-H"	-1.007276
"51243"	358.062871	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M-2H+NH4"	16.019271
"490442"	529.084671	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M-2H+NH4"	16.019271
"865085"	187.041071	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-2H+NH4"	16.019271
"33958"	363.018266	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M-2H+Na"	20.974666
"472788"	534.040066	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M-2H+Na"	20.974666
"852413"	191.996466	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-2H+Na"	20.974666
"1625226"	191.996466	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Na-2H"	20.974666
"96287"	188.002863	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M-H+Cl"	33.962126
"546795"	273.513763	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M-H+Cl"	33.962126
"938124"	102.491963	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-H+Cl"	33.962126
"274494"	377.013002	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+Cl"	34.969402
"662538"	548.034802	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+Cl"	34.969402
"1280410"	205.991202	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Cl"	34.969402
"25154"	378.992206	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M-2H+K"	36.948606
"464714"	550.014006	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M-2H+K"	36.948606
"841422"	207.970406	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-2H+K"	36.948606
"1560538"	207.970406	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+K-2H"	36.948606
"945501"	216.019994	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-H+HCOOH"	44.998194
"363354"	387.041801	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+HCOOH-H"	44.998201
"349790"	401.057451	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+Hac-H"	59.013851
"1497164"	230.035651	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Hac-H"	59.013851
"963247"	238.001951	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-H+NaCOOH"	66.980151
"113249"	205.991202	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+2Cl"	69.938804
"550985"	291.502102	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+2Cl"	69.938804
"1025256"	120.480302	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2Cl"	69.938804
"1241917"	249.940685	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Br"	78.918885
"1306551"	251.996672	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Cl+HCOOH"	80.974872
"1323320"	273.978629	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Cl+NaCOOH"	102.956829
"913649"	284.007386	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M-H+CF3COOH"	112.985586
"1293638"	319.984064	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Cl+CF3COOH"	148.962264
"1372892"	136.009124	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H-2H2O"	-35.012676
"1388204"	154.0191	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H-H2O"	-17.0027
"288983"	343.050876	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+H"	1.007276
"683589"	514.072676	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+H"	1.007276
"1363948"	172.029076	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H"	1.007276
"135756"	172.029076	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+2H"	2.014552
"578597"	257.539976	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+2H"	2.014552
"1046668"	86.518176	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2H"	2.014552
"208007"	115.021809333333	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+3H"	3.021828
"646474"	172.029076	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+3H"	3.021828
"1168973"	58.0145426666667	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+3H"	3.021828
"426043"	360.077423	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+NH4"	18.033823
"789961"	531.099223	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+NH4"	18.033823
"1681585"	189.055623	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+NH4"	18.033823
"334572"	180.5423495	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+H+NH4"	19.041099
"728085"	266.0532495	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+H+NH4"	19.041099
"1477652"	95.0314495	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H+NH4"	19.041099
"394020"	365.032818	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+Na"	22.989218
"755017"	536.054618	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+Na"	22.989218
"1605300"	194.011018	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Na"	22.989218
"317886"	183.020047	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+H+Na"	23.996494
"709216"	268.530947	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+H+Na"	23.996494
"1464863"	97.509147	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H+Na"	23.996494
"1056291"	65.3418566666667	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2H+Na"	25.00377
"1263074"	204.055286	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+CH3OH+H"	33.033486
"383837"	381.006758	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+K"	38.963158
"742646"	552.028558	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+K"	38.963158
"1545794"	209.984958	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+K"	38.963158
"302236"	191.007017	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+H+K"	39.970434
"694297"	276.517917	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+H+K"	39.970434
"1452493"	105.496117	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H+K"	39.970434
"240000"	384.077426	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+ACN+H"	42.033826
"1212711"	213.055626	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+ACN+H"	42.033826
"1198778"	107.031451	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+ACN+2H"	43.041102
"190560"	387.01476	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+2Na-H"	44.97116
"633402"	558.03656	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+2Na-H"	44.97116
"1136909"	215.99296	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2Na-H"	44.97116
"182386"	194.011018	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+2Na"	45.978436
"626692"	279.521918	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+2Na"	45.978436
"1126915"	108.500118	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2Na"	45.978436
"1410440"	72.6691706666667	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H+2Na"	46.985712
"1445276"	218.034546	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H+HCOOH"	47.012746
"234076"	199.04404	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+3H2O+2H"	56.04448
"1521775"	232.08659	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+IsoProp+H"	61.06479
"421462"	201.997988	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+Na+K"	61.952376
"778449"	287.508888	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+Na+K"	61.952376
"1679153"	116.487088	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Na+K"	61.952376
"265307"	406.059368	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+ACN+Na"	64.015768
"1236557"	235.037568	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+ACN+Na"	64.015768
"1721797"	235.061093	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+NH4+HCOOH"	64.039293
"1192255"	79.9964846666667	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+3Na"	68.967654
"1662148"	240.016488	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Na+HCOOH"	68.994688
"168279"	418.96264	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+2K-H"	76.91904
"607840"	589.98444	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+2K-H"	76.91904
"1096731"	247.94084	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2K-H"	76.91904
"151361"	209.984958	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"2M+2K"	77.926316
"596715"	295.495858	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"3M+2K"	77.926316
"1083940"	124.474058	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2K"	77.926316
"1107548"	249.955392	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2K+H"	78.933592
"1343932"	250.043007	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+DMSO+H"	79.021207
"1020118"	254.082176	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2ACN+H"	83.060376
"1538244"	255.075808	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+IsoProp+Na+H"	84.054008
"1003600"	127.544726	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+2ACN+2H"	84.067652
"1597014"	255.990428	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+K+HCOOH"	84.968628
"1421580"	286.021938	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+H+CF3COOH"	115.000138
"1158430"	148.058001	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+3ACN+2H"	125.094202
"1702514"	303.048485	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+NH4+CF3COOH"	132.026685
"1639258"	308.00388	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+Na+CF3COOH"	136.98208
"1585844"	323.97782	"C19274"	"Nitrogen mustard N-oxide"	"C5H11Cl2NO"	"171.0218"	"M+K+CF3COOH"	152.95602
"806368"	61.0164	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M"	0
"989380"	41.99801	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-H2O-H"	-19.01839
"69240"	39.670324	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M-3H"	-3.021828
"506615"	60.009124	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M-3H"	-3.021828
"882234"	19.331524	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-3H"	-3.021828
"318"	60.009124	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M-2H"	-2.014552
"444742"	90.517324	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M-2H"	-2.014552
"820356"	29.500924	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-2H"	-2.014552
"79496"	121.025524	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M-H"	-1.007276
"519907"	182.041924	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M-H"	-1.007276
"896616"	60.009124	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-H"	-1.007276
"47708"	138.052071	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M-2H+NH4"	16.019271
"489459"	199.068471	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M-2H+NH4"	16.019271
"866168"	77.035671	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-2H+NH4"	16.019271
"36255"	143.007466	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M-2H+Na"	20.974666
"472169"	204.023866	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M-2H+Na"	20.974666
"853617"	81.991066	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-2H+Na"	20.974666
"1624243"	81.991066	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Na-2H"	20.974666
"98584"	77.997463	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M-H+Cl"	33.962126
"541437"	108.505663	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M-H+Cl"	33.962126
"932767"	47.489263	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-H+Cl"	33.962126
"270230"	157.002202	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+Cl"	34.969402
"664107"	218.018602	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+Cl"	34.969402
"1275419"	95.985802	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Cl"	34.969402
"20888"	158.981406	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M-2H+K"	36.948606
"456031"	219.997806	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M-2H+K"	36.948606
"840440"	97.965006	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-2H+K"	36.948606
"1555717"	97.965006	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+K-2H"	36.948606
"943787"	106.014594	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-H+HCOOH"	44.998194
"362003"	167.031001	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+HCOOH-H"	44.998201
"346619"	181.046651	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+Hac-H"	59.013851
"1499462"	120.030251	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Hac-H"	59.013851
"959346"	127.996551	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-H+NaCOOH"	66.980151
"110319"	95.985802	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+2Cl"	69.938804
"550094"	126.494002	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+2Cl"	69.938804
"1027554"	65.477602	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2Cl"	69.938804
"1245309"	139.935285	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Br"	78.918885
"1305205"	141.991272	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Cl+HCOOH"	80.974872
"1319918"	163.973229	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Cl+NaCOOH"	102.956829
"918498"	174.001986	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M-H+CF3COOH"	112.985586
"1298122"	209.978664	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Cl+CF3COOH"	148.962264
"1370816"	26.003724	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H-2H2O"	-35.012676
"1389407"	44.0137	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H-H2O"	-17.0027
"289093"	123.040076	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+H"	1.007276
"681512"	184.056476	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+H"	1.007276
"1362234"	62.023676	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H"	1.007276
"135866"	62.023676	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+2H"	2.014552
"578343"	92.531876	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+2H"	2.014552
"1047507"	31.515476	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2H"	2.014552
"210304"	41.684876	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+3H"	3.021828
"648771"	62.023676	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+3H"	3.021828
"1167990"	21.346076	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+3H"	3.021828
"425790"	140.066623	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+NH4"	18.033823
"790071"	201.083023	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+NH4"	18.033823
"1681699"	79.050223	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+NH4"	18.033823
"333589"	70.5369495	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+H+NH4"	19.041099
"724916"	101.0451495	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+H+NH4"	19.041099
"1477517"	40.0287495	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H+NH4"	19.041099
"396317"	145.022018	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+Na"	22.989218
"756219"	206.038418	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+Na"	22.989218
"1607596"	84.005618	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Na"	22.989218
"319089"	73.014647	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+H+Na"	23.996494
"709325"	103.522847	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+H+Na"	23.996494
"1462050"	42.506447	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H+Na"	23.996494
"1054213"	28.67339	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2H+Na"	25.00377
"1259903"	94.049886	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+CH3OH+H"	33.033486
"381030"	160.995958	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+K"	38.963158
"742024"	222.012358	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+K"	38.963158
"1548090"	99.979558	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+K"	38.963158
"301982"	81.001617	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+H+K"	39.970434
"693312"	111.509817	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+H+K"	39.970434
"1447862"	50.493417	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H+K"	39.970434
"238288"	164.066626	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+ACN+H"	42.033826
"1212820"	103.050226	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+ACN+H"	42.033826
"1196703"	52.028751	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+ACN+2H"	43.041102
"191760"	167.00396	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+2Na-H"	44.97116
"629864"	228.02036	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+2Na-H"	44.97116
"1133859"	105.98756	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2Na-H"	44.97116
"173869"	84.005618	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+2Na"	45.978436
"623154"	114.513818	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+2Na"	45.978436
"1127389"	53.497418	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2Na"	45.978436
"1409090"	36.000704	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H+2Na"	46.985712
"1444864"	108.029146	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H+HCOOH"	47.012746
"233091"	89.03864	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+3H2O+2H"	56.04448
"1521156"	122.08119	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+IsoProp+H"	61.06479
"419749"	91.992588	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+Na+K"	61.952376
"778558"	122.500788	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+Na+K"	61.952376
"1677076"	61.484388	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Na+K"	61.952376
"265417"	186.048568	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+ACN+Na"	64.015768
"1236667"	125.032168	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+ACN+Na"	64.015768
"1721907"	125.055693	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+NH4+HCOOH"	64.039293
"1190177"	43.328018	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+3Na"	68.967654
"1664689"	130.011088	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Na+HCOOH"	68.994688
"167296"	198.95184	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+2K-H"	76.91904
"606857"	259.96824	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+2K-H"	76.91904
"1094654"	137.93544	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2K-H"	76.91904
"152563"	99.979558	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"2M+2K"	77.926316
"593218"	130.487758	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"3M+2K"	77.926316
"1078823"	69.471358	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2K"	77.926316
"1105470"	139.949992	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2K+H"	78.933592
"1339665"	140.037607	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+DMSO+H"	79.021207
"1019135"	144.076776	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2ACN+H"	83.060376
"1537261"	145.070408	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+IsoProp+Na+H"	84.054008
"1002616"	72.542026	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+2ACN+2H"	84.067652
"1597124"	145.985028	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+K+HCOOH"	84.968628
"1421690"	176.016538	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+H+CF3COOH"	115.000138
"1158540"	93.055301	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+3ACN+2H"	125.094202
"1702624"	193.043085	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+NH4+CF3COOH"	132.026685
"1639368"	197.99848	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+Na+CF3COOH"	136.98208
"1585954"	213.97242	"C19275"	"Nitromethane"	"CH3NO2"	"61.0164"	"M+K+CF3COOH"	152.95602
"814868"	247.0633	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M"	0
"989370"	228.04491	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H2O-H"	-19.01839
"74817"	163.701590666667	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-3H"	-3.021828
"506727"	246.056024	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-3H"	-3.021828
"885622"	81.3471573333333	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-3H"	-3.021828
"3103"	246.056024	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H"	-2.014552
"440635"	369.587674	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H"	-2.014552
"820465"	122.524374	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H"	-2.014552
"80459"	493.119324	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-H"	-1.007276
"521112"	740.182624	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-H"	-1.007276
"900007"	246.056024	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H"	-1.007276
"50009"	510.145871	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+NH4"	16.019271
"487745"	757.209171	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+NH4"	16.019271
"874666"	263.082571	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+NH4"	16.019271
"33209"	515.101266	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+Na"	20.974666
"472768"	762.164566	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+Na"	20.974666
"851543"	268.037966	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+Na"	20.974666
"1625450"	268.037966	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na-2H"	20.974666
"101981"	264.044363	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-H+Cl"	33.962126
"542641"	387.576013	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-H+Cl"	33.962126
"932875"	140.512713	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+Cl"	33.962126
"269974"	529.096002	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Cl"	34.969402
"661666"	776.159302	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Cl"	34.969402
"1273094"	282.032702	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl"	34.969402
"18448"	531.075206	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+K"	36.948606
"459468"	778.138506	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+K"	36.948606
"840550"	284.011906	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+K"	36.948606
"1556744"	284.011906	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K-2H"	36.948606
"945356"	292.061494	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+HCOOH"	44.998194
"364667"	539.124801	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+HCOOH-H"	44.998201
"351834"	553.140451	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Hac-H"	59.013851
"1499572"	306.077151	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Hac-H"	59.013851
"964928"	314.043451	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+NaCOOH"	66.980151
"112741"	282.032702	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Cl"	69.938804
"558865"	405.564352	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Cl"	69.938804
"1025842"	158.501052	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Cl"	69.938804
"1242503"	325.982185	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Br"	78.918885
"1309694"	328.038172	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+HCOOH"	80.974872
"1322085"	350.020129	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+NaCOOH"	102.956829
"914603"	360.048886	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+CF3COOH"	112.985586
"1294958"	396.025564	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+CF3COOH"	148.962264
"1370932"	212.050624	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H-2H2O"	-35.012676
"1387699"	230.0606	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H-H2O"	-17.0027
"283737"	495.133876	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H"	1.007276
"676887"	742.197176	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H"	1.007276
"1357977"	248.070576	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H"	1.007276
"136340"	248.070576	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2H"	2.014552
"577724"	371.602226	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2H"	2.014552
"1046887"	124.538926	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2H"	2.014552
"213694"	165.716142666667	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+3H"	3.021828
"646815"	248.070576	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+3H"	3.021828
"1164088"	83.3617093333333	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3H"	3.021828
"425415"	512.160423	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+NH4"	18.033823
"787994"	759.223723	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+NH4"	18.033823
"1683227"	265.097123	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4"	18.033823
"334792"	256.5838495	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+NH4"	19.041099
"724541"	380.1154995	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+NH4"	19.041099
"1479941"	133.0521995	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+NH4"	19.041099
"393394"	517.115818	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Na"	22.989218
"755481"	764.179118	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Na"	22.989218
"1603214"	270.052518	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na"	22.989218
"314870"	259.061547	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+Na"	23.996494
"709437"	382.593197	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+Na"	23.996494
"1462525"	135.529897	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+Na"	23.996494
"1054809"	90.6890233333333	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2H+Na"	25.00377
"1260013"	280.096786	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+CH3OH+H"	33.033486
"380046"	533.089758	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+K"	38.963158
"741043"	780.153058	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+K"	38.963158
"1548202"	286.026458	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K"	38.963158
"303191"	267.048517	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+K"	39.970434
"696706"	390.580167	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+K"	39.970434
"1445607"	143.516867	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+K"	39.970434
"236210"	536.160426	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+ACN+H"	42.033826
"1211835"	289.097126	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+H"	42.033826
"1197177"	145.052201	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+2H"	43.041102
"190782"	539.09776	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Na-H"	44.97116
"631436"	786.16106	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Na-H"	44.97116
"1134942"	292.03446	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Na-H"	44.97116
"183704"	270.052518	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Na"	45.978436
"622900"	393.584168	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Na"	45.978436
"1130792"	146.520868	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Na"	45.978436
"1412731"	98.0163373333333	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+2Na"	46.985712
"1443876"	294.076046	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+HCOOH"	47.012746
"234544"	275.08554	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+3H2O+2H"	56.04448
"1519809"	308.12809	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+IsoProp+H"	61.06479
"422047"	278.039488	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Na+K"	61.952376
"781583"	401.571138	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Na+K"	61.952376
"1680103"	154.507838	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+K"	61.952376
"262609"	558.142368	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+ACN+Na"	64.015768
"1237507"	311.079068	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+Na"	64.015768
"1723110"	311.102593	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4+HCOOH"	64.039293
"1192110"	105.343651333333	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3Na"	68.967654
"1664920"	316.057988	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+HCOOH"	68.994688
"168500"	571.04564	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2K-H"	76.91904
"610247"	818.10894	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2K-H"	76.91904
"1096950"	323.98234	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K-H"	76.91904
"156804"	286.026458	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2K"	77.926316
"594421"	409.558108	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2K"	77.926316
"1083186"	162.494808	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K"	77.926316
"1107767"	325.996892	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K+H"	78.933592
"1339776"	326.084507	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+DMSO+H"	79.021207
"1019976"	330.123676	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2ACN+H"	83.060376
"1537370"	331.117308	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+IsoProp+Na+H"	84.054008
"1003820"	165.565476	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2ACN+2H"	84.067652
"1602342"	332.031928	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K+HCOOH"	84.968628
"1428362"	362.063438	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+CF3COOH"	115.000138
"1161934"	186.078751	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3ACN+2H"	125.094202
"1712213"	379.089985	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4+CF3COOH"	132.026685
"1646041"	384.04538	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+CF3COOH"	136.98208
"1586064"	400.01932	"C19276"	"4-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K+CF3COOH"	152.95602
"806588"	158.1419	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M"	0
"989363"	139.12351	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-H2O-H"	-19.01839
"69460"	104.420657333333	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M-3H"	-3.021828
"510115"	157.134624	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M-3H"	-3.021828
"887920"	51.7066906666667	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-3H"	-3.021828
"7591"	157.134624	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M-2H"	-2.014552
"447150"	236.205574	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M-2H"	-2.014552
"820577"	78.063674	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-2H"	-2.014552
"84944"	315.276524	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M-H"	-1.007276
"519641"	473.418424	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M-H"	-1.007276
"900118"	157.134624	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-H"	-1.007276
"48417"	332.303071	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M-2H+NH4"	16.019271
"487975"	490.444971	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M-2H+NH4"	16.019271
"876600"	174.161171	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-2H+NH4"	16.019271
"38667"	337.258466	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M-2H+Na"	20.974666
"477132"	495.400366	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M-2H+Na"	20.974666
"859308"	179.116566	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-2H+Na"	20.974666
"1625560"	179.116566	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Na-2H"	20.974666
"102091"	175.122963	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M-H+Cl"	33.962126
"542751"	254.193913	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M-H+Cl"	33.962126
"932986"	96.052013	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-H+Cl"	33.962126
"269721"	351.253202	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+Cl"	34.969402
"666152"	509.395102	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+Cl"	34.969402
"1274544"	193.111302	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Cl"	34.969402
"21112"	353.232406	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M-2H+K"	36.948606
"458484"	511.374306	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M-2H+K"	36.948606
"840659"	195.090506	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-2H+K"	36.948606
"1555816"	195.090506	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+K-2H"	36.948606
"944373"	203.140094	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-H+HCOOH"	44.998194
"364413"	361.282001	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+HCOOH-H"	44.998201
"351215"	375.297651	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+Hac-H"	59.013851
"1499682"	217.155751	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Hac-H"	59.013851
"965038"	225.122051	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-H+NaCOOH"	66.980151
"117227"	193.111302	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+2Cl"	69.938804
"557882"	272.182252	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+2Cl"	69.938804
"1024496"	114.040352	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2Cl"	69.938804
"1246260"	237.060785	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Br"	78.918885
"1311262"	239.116772	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Cl+HCOOH"	80.974872
"1325842"	261.098729	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Cl+NaCOOH"	102.956829
"915077"	271.127486	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M-H+CF3COOH"	112.985586
"1293244"	307.104164	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Cl+CF3COOH"	148.962264
"1371770"	123.129224	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H-2H2O"	-35.012676
"1390724"	141.1392	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H-H2O"	-17.0027
"285306"	317.291076	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+H"	1.007276
"676270"	475.432976	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+H"	1.007276
"1361367"	159.149176	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H"	1.007276
"136448"	159.149176	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+2H"	2.014552
"578563"	238.220126	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+2H"	2.014552
"1044811"	80.078226	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2H"	2.014552
"213805"	106.435209333333	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+3H"	3.021828
"650084"	159.149176	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+3H"	3.021828
"1164928"	53.7212426666667	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+3H"	3.021828
"426376"	334.317623	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+NH4"	18.033823
"788104"	492.459523	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+NH4"	18.033823
"1684430"	176.175723	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+NH4"	18.033823
"332717"	167.6624495	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+H+NH4"	19.041099
"725138"	246.7333995	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+H+NH4"	19.041099
"1480417"	88.5914995	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H+NH4"	19.041099
"396544"	339.273018	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+Na"	22.989218
"756810"	497.414918	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+Na"	22.989218
"1607096"	181.131118	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Na"	22.989218
"318954"	170.140147	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+H+Na"	23.996494
"712467"	249.211097	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+H+Na"	23.996494
"1463375"	91.069197	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H+Na"	23.996494
"1054798"	61.0485566666667	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2H+Na"	25.00377
"1259030"	191.175386	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+CH3OH+H"	33.033486
"378699"	355.246958	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+K"	38.963158
"742975"	513.388858	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+K"	38.963158
"1549405"	197.105058	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+K"	38.963158
"303301"	178.127117	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+H+K"	39.970434
"696816"	257.198067	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+H+K"	39.970434
"1446626"	99.056167	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H+K"	39.970434
"237779"	358.317626	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+ACN+H"	42.033826
"1212309"	200.175726	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+ACN+H"	42.033826
"1199108"	100.591501	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+ACN+2H"	43.041102
"190163"	361.25496	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+2Na-H"	44.97116
"632641"	519.39686	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+2Na-H"	44.97116
"1136145"	203.11306	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2Na-H"	44.97116
"182719"	181.131118	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+2Na"	45.978436
"625561"	260.202068	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+2Na"	45.978436
"1130661"	102.060168	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2Na"	45.978436
"1411866"	68.3758706666667	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H+2Na"	46.985712
"1444477"	205.154646	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H+HCOOH"	47.012746
"234169"	186.16414	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+3H2O+2H"	56.04448
"1522473"	219.20669	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+IsoProp+H"	61.06479
"422521"	189.118088	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+Na+K"	61.952376
"781693"	268.189038	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+Na+K"	61.952376
"1680212"	110.047138	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Na+K"	61.952376
"262719"	380.299568	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+ACN+Na"	64.015768
"1238710"	222.157668	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+ACN+Na"	64.015768
"1722127"	222.181193	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+NH4+HCOOH"	64.039293
"1190033"	75.7031846666667	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+3Na"	68.967654
"1662841"	227.136588	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Na+HCOOH"	68.994688
"167516"	393.20284	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+2K-H"	76.91904
"604890"	551.34474	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+2K-H"	76.91904
"1097060"	235.06094	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2K-H"	76.91904
"153876"	197.105058	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"2M+2K"	77.926316
"587968"	276.176008	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"3M+2K"	77.926316
"1081230"	118.034108	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2K"	77.926316
"1107877"	237.075492	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2K+H"	78.933592
"1339885"	237.163107	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+DMSO+H"	79.021207
"1018993"	241.202276	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2ACN+H"	83.060376
"1530920"	242.195908	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+IsoProp+Na+H"	84.054008
"1003810"	121.104776	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+2ACN+2H"	84.067652
"1601723"	243.110528	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+K+HCOOH"	84.968628
"1428108"	273.142038	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+H+CF3COOH"	115.000138
"1161317"	141.618051	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+3ACN+2H"	125.094202
"1711595"	290.168585	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+NH4+CF3COOH"	132.026685
"1647244"	295.12398	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+Na+CF3COOH"	136.98208
"1586174"	311.09792	"C19277"	"N-Nitrosodi-n-butylamine;NN-Dibutylnitrosoamine"	"C8H18N2O"	"158.1419"	"M+K+CF3COOH"	152.95602
"806698"	134.0691	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M"	0
"989717"	115.05071	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-H2O-H"	-19.01839
"69565"	88.372124	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M-3H"	-3.021828
"510225"	133.061824	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M-3H"	-3.021828
"888030"	43.682424	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-3H"	-3.021828
"5512"	133.061824	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M-2H"	-2.014552
"446167"	200.096374	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M-2H"	-2.014552
"821780"	66.027274	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-2H"	-2.014552
"85054"	267.130924	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M-H"	-1.007276
"521333"	401.200024	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M-H"	-1.007276
"903508"	133.061824	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-H"	-1.007276
"49136"	284.157471	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M-2H+NH4"	16.019271
"490881"	418.226571	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M-2H+NH4"	16.019271
"876346"	150.088371	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-2H+NH4"	16.019271
"43151"	289.112866	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M-2H+Na"	20.974666
"477242"	423.181966	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M-2H+Na"	20.974666
"858324"	155.043766	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-2H+Na"	20.974666
"1628950"	155.043766	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Na-2H"	20.974666
"105481"	151.050163	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M-H+Cl"	33.962126
"540675"	218.084713	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M-H+Cl"	33.962126
"933096"	84.015613	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-H+Cl"	33.962126
"269467"	303.107602	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+Cl"	34.969402
"668449"	437.176702	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+Cl"	34.969402
"1279760"	169.038502	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Cl"	34.969402
"21223"	305.086806	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M-2H+K"	36.948606
"459324"	439.155906	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M-2H+K"	36.948606
"838947"	171.017706	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-2H+K"	36.948606
"1558425"	171.017706	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+K-2H"	36.948606
"946669"	179.067294	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-H+HCOOH"	44.998194
"367075"	313.136401	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+HCOOH-H"	44.998201
"350961"	327.152051	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+Hac-H"	59.013851
"1499792"	193.082951	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Hac-H"	59.013851
"966241"	201.049251	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-H+NaCOOH"	66.980151
"117337"	169.038502	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+2Cl"	69.938804
"556899"	236.073052	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+2Cl"	69.938804
"1025700"	102.003952	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2Cl"	69.938804
"1245278"	212.987985	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Br"	78.918885
"1312102"	215.043972	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Cl+HCOOH"	80.974872
"1325224"	237.025929	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Cl+NaCOOH"	102.956829
"915187"	247.054686	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M-H+CF3COOH"	112.985586
"1293354"	283.031364	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Cl+CF3COOH"	148.962264
"1372244"	99.056424	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H-2H2O"	-35.012676
"1390834"	117.0664	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H-H2O"	-17.0027
"286144"	269.145476	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+H"	1.007276
"678201"	403.214576	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+H"	1.007276
"1361477"	135.076376	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H"	1.007276
"135465"	135.076376	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+2H"	2.014552
"577945"	202.110926	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+2H"	2.014552
"1046014"	68.041826	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2H"	2.014552
"215009"	90.386676	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+3H"	3.021828
"646913"	135.076376	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+3H"	3.021828
"1166131"	45.696976	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+3H"	3.021828
"427215"	286.172023	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+NH4"	18.033823
"787482"	420.241123	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+NH4"	18.033823
"1684541"	152.102923	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+NH4"	18.033823
"331734"	143.5896495	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+H+NH4"	19.041099
"727433"	210.6241995	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+H+NH4"	19.041099
"1481255"	76.5550995	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H+NH4"	19.041099
"395924"	291.127418	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+Na"	22.989218
"758742"	425.196518	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+Na"	22.989218
"1607935"	157.058318	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Na"	22.989218
"318335"	146.067347	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+H+Na"	23.996494
"708324"	213.101897	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+H+Na"	23.996494
"1462753"	79.032797	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H+Na"	23.996494
"1057459"	53.02429	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2H+Na"	25.00377
"1261326"	167.102586	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+CH3OH+H"	33.033486
"380991"	307.101358	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+K"	38.963158
"739927"	441.170458	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+K"	38.963158
"1549515"	173.032258	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+K"	38.963158
"305598"	154.054317	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+H+K"	39.970434
"696926"	221.088867	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+H+K"	39.970434
"1449654"	87.019767	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H+K"	39.970434
"240442"	310.172026	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+ACN+H"	42.033826
"1216430"	176.102926	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+ACN+H"	42.033826
"1199218"	88.555101	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+ACN+2H"	43.041102
"191366"	313.10936	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+2Na-H"	44.97116
"634938"	447.17846	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+2Na-H"	44.97116
"1142814"	179.04026	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2Na-H"	44.97116
"182829"	157.058318	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+2Na"	45.978436
"624578"	224.092868	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+2Na"	45.978436
"1130771"	90.023768	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2Na"	45.978436
"1409422"	60.351604	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H+2Na"	46.985712
"1445356"	181.081846	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H+HCOOH"	47.012746
"233425"	162.09134	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+3H2O+2H"	56.04448
"1521487"	195.13389	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+IsoProp+H"	61.06479
"422631"	165.045288	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+Na+K"	61.952376
"778887"	232.079838	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+Na+K"	61.952376
"1677406"	98.010738	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Na+K"	61.952376
"262829"	332.153968	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+ACN+Na"	64.015768
"1237361"	198.084868	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+ACN+Na"	64.015768
"1725883"	198.108393	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+NH4+HCOOH"	64.039293
"1193790"	67.678918	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+3Na"	68.967654
"1663923"	203.063788	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Na+HCOOH"	68.994688
"170542"	345.05724	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+2K-H"	76.91904
"607187"	479.12634	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+2K-H"	76.91904
"1099118"	210.98814	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2K-H"	76.91904
"155931"	173.032258	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"2M+2K"	77.926316
"588078"	240.066808	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"3M+2K"	77.926316
"1082433"	105.997708	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2K"	77.926316
"1107987"	213.002692	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2K+H"	78.933592
"1340360"	213.090307	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+DMSO+H"	79.021207
"1018740"	217.129476	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2ACN+H"	83.060376
"1537590"	218.123108	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+IsoProp+Na+H"	84.054008
"1004891"	109.068376	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+2ACN+2H"	84.067652
"1598551"	219.037728	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+K+HCOOH"	84.968628
"1425303"	249.069238	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+H+CF3COOH"	115.000138
"1161061"	129.581651	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+3ACN+2H"	125.094202
"1710611"	266.095785	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+NH4+CF3COOH"	132.026685
"1646261"	271.05118	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+Na+CF3COOH"	136.98208
"1586284"	287.02512	"C19278"	"N-Nitrosodiethanolamine"	"C4H10N2O3"	"134.0691"	"M+K+CF3COOH"	152.95602
"807901"	130.1106	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M"	0
"989089"	111.09221	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-H2O-H"	-19.01839
"69675"	85.733124	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M-3H"	-3.021828
"513615"	129.103324	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M-3H"	-3.021828
"888141"	42.362924	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-3H"	-3.021828
"5622"	129.103324	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M-2H"	-2.014552
"444088"	194.158624	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M-2H"	-2.014552
"822983"	64.048024	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-2H"	-2.014552
"87351"	259.213924	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M-H"	-1.007276
"523630"	389.324524	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M-H"	-1.007276
"904711"	129.103324	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-H"	-1.007276
"51433"	276.240471	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M-2H+NH4"	16.019271
"490262"	406.351071	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M-2H+NH4"	16.019271
"875361"	146.129871	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-2H+NH4"	16.019271
"38887"	281.195866	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M-2H+Na"	20.974666
"477352"	411.306466	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M-2H+Na"	20.974666
"858434"	151.085266	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-2H+Na"	20.974666
"1625780"	151.085266	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Na-2H"	20.974666
"104498"	147.091663	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M-H+Cl"	33.962126
"539692"	212.146963	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M-H+Cl"	33.962126
"933207"	82.036363	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-H+Cl"	33.962126
"270305"	295.190602	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+Cl"	34.969402
"665279"	425.301202	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+Cl"	34.969402
"1279870"	165.080002	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Cl"	34.969402
"21333"	297.169806	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M-2H+K"	36.948606
"457975"	427.280406	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M-2H+K"	36.948606
"838693"	167.059206	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-2H+K"	36.948606
"1558535"	167.059206	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+K-2H"	36.948606
"947143"	175.108794	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-H+HCOOH"	44.998194
"367185"	305.219401	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+HCOOH-H"	44.998201
"354351"	319.235051	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+Hac-H"	59.013851
"1499902"	189.124451	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Hac-H"	59.013851
"966351"	197.090751	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-H+NaCOOH"	66.980151
"118540"	165.080002	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+2Cl"	69.938804
"559194"	230.135302	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+2Cl"	69.938804
"1029092"	100.024702	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2Cl"	69.938804
"1248668"	209.029485	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Br"	78.918885
"1313306"	211.085472	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Cl+HCOOH"	80.974872
"1325334"	233.067429	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Cl+NaCOOH"	102.956829
"917485"	243.096186	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M-H+CF3COOH"	112.985586
"1297474"	279.072864	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Cl+CF3COOH"	148.962264
"1373449"	95.097924	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H-2H2O"	-35.012676
"1387664"	113.1079	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H-H2O"	-17.0027
"289533"	261.228476	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+H"	1.007276
"679770"	391.339076	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+H"	1.007276
"1355026"	131.117876	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H"	1.007276
"134482"	131.117876	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+2H"	2.014552
"574043"	196.173176	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+2H"	2.014552
"1046123"	66.062576	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2H"	2.014552
"214024"	87.747676	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+3H"	3.021828
"649209"	131.117876	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+3H"	3.021828
"1167334"	44.377476	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+3H"	3.021828
"426229"	278.255023	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+NH4"	18.033823
"786982"	408.365623	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+NH4"	18.033823
"1683558"	148.144423	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+NH4"	18.033823
"335489"	139.6311495	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+H+NH4"	19.041099
"728275"	204.6864495	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+H+NH4"	19.041099
"1483551"	74.5758495	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H+NH4"	19.041099
"396763"	283.210418	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+Na"	22.989218
"759945"	413.321018	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+Na"	22.989218
"1611324"	153.099818	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Na"	22.989218
"319174"	142.108847	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+H+Na"	23.996494
"708555"	207.164147	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+H+Na"	23.996494
"1462619"	77.053547	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H+Na"	23.996494
"1060848"	51.70479	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2H+Na"	25.00377
"1262528"	163.144086	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+CH3OH+H"	33.033486
"381101"	299.184358	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+K"	38.963158
"741009"	429.294958	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+K"	38.963158
"1549625"	169.073758	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+K"	38.963158
"305708"	150.095817	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+H+K"	39.970434
"695943"	215.151117	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+H+K"	39.970434
"1449764"	85.040517	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H+K"	39.970434
"242738"	302.255026	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+ACN+H"	42.033826
"1219820"	172.144426	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+ACN+H"	42.033826
"1201516"	86.575851	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+ACN+2H"	43.041102
"194391"	305.19236	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+2Na-H"	44.97116
"633954"	435.30296	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+2Na-H"	44.97116
"1141830"	175.08176	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2Na-H"	44.97116
"181847"	153.099818	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+2Na"	45.978436
"626875"	218.155118	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+2Na"	45.978436
"1130020"	88.044518	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2Na"	45.978436
"1409532"	59.032104	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H+2Na"	46.985712
"1444933"	177.123346	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H+HCOOH"	47.012746
"228067"	158.13284	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+3H2O+2H"	56.04448
"1517222"	191.17539	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+IsoProp+H"	61.06479
"415814"	161.086788	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+Na+K"	61.952376
"782276"	226.142088	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+Na+K"	61.952376
"1673140"	96.031488	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Na+K"	61.952376
"262939"	324.236968	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+ACN+Na"	64.015768
"1234555"	194.126368	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+ACN+Na"	64.015768
"1719067"	194.149893	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+NH4+HCOOH"	64.039293
"1191710"	66.359418	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+3Na"	68.967654
"1657594"	199.105288	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Na+HCOOH"	68.994688
"166642"	337.14024	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+2K-H"	76.91904
"607296"	467.25084	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+2K-H"	76.91904
"1099229"	207.02964	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2K-H"	76.91904
"156852"	169.073758	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"2M+2K"	77.926316
"588188"	234.129058	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"3M+2K"	77.926316
"1082543"	104.018458	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2K"	77.926316
"1109190"	209.044192	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2K+H"	78.933592
"1341199"	209.131807	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+DMSO+H"	79.021207
"1018851"	213.170976	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2ACN+H"	83.060376
"1534420"	214.164608	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+IsoProp+Na+H"	84.054008
"1004148"	107.089126	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+2ACN+2H"	84.067652
"1598661"	215.079228	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+K+HCOOH"	84.968628
"1425413"	245.110738	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+H+CF3COOH"	115.000138
"1160808"	127.602401	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+3ACN+2H"	125.094202
"1710721"	262.137285	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+NH4+CF3COOH"	132.026685
"1646370"	267.09268	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+Na+CF3COOH"	136.98208
"1586394"	283.06662	"C19279"	"N-Nitrosodi-n-propylamine"	"C6H14N2O"	"130.1106"	"M+K+CF3COOH"	152.95602
"806918"	113.0589	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M"	0
"988714"	94.04051	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-H2O-H"	-19.01839
"68692"	74.365324	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M-3H"	-3.021828
"510445"	112.051624	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M-3H"	-3.021828
"884971"	36.679024	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-3H"	-3.021828
"4637"	112.051624	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M-2H"	-2.014552
"444198"	168.581074	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M-2H"	-2.014552
"823092"	55.522174	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-2H"	-2.014552
"87460"	225.110524	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M-H"	-1.007276
"521550"	338.169424	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M-H"	-1.007276
"899354"	112.051624	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-H"	-1.007276
"51543"	242.137071	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M-2H+NH4"	16.019271
"490008"	355.195971	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M-2H+NH4"	16.019271
"874378"	129.078171	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-2H+NH4"	16.019271
"40090"	247.092466	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M-2H+Na"	20.974666
"477462"	360.151366	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M-2H+Na"	20.974666
"858544"	134.033566	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-2H+Na"	20.974666
"1625890"	134.033566	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Na-2H"	20.974666
"103515"	130.039963	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M-H+Cl"	33.962126
"538704"	186.569413	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M-H+Cl"	33.962126
"936597"	73.510513	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-H+Cl"	33.962126
"271874"	261.087202	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+Cl"	34.969402
"663930"	374.146102	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+Cl"	34.969402
"1277793"	148.028302	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Cl"	34.969402
"20349"	263.066406	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M-2H+K"	36.948606
"461365"	376.125306	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M-2H+K"	36.948606
"837343"	150.007506	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-2H+K"	36.948606
"1555753"	150.007506	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+K-2H"	36.948606
"944337"	158.057094	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-H+HCOOH"	44.998194
"362919"	271.116001	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+HCOOH-H"	44.998201
"353368"	285.131651	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+Hac-H"	59.013851
"1500012"	172.072751	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Hac-H"	59.013851
"966461"	180.039051	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-H+NaCOOH"	66.980151
"118650"	148.028302	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+2Cl"	69.938804
"558211"	204.557752	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+2Cl"	69.938804
"1030294"	91.498852	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2Cl"	69.938804
"1248778"	191.977785	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Br"	78.918885
"1314509"	194.033772	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Cl+HCOOH"	80.974872
"1325444"	216.015729	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Cl+NaCOOH"	102.956829
"918688"	226.044486	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M-H+CF3COOH"	112.985586
"1295397"	262.021164	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Cl+CF3COOH"	148.962264
"1374652"	78.046224	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H-2H2O"	-35.012676
"1387774"	96.0562	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H-H2O"	-17.0027
"289644"	227.125076	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+H"	1.007276
"679880"	340.183976	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+H"	1.007276
"1357321"	114.066176	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H"	1.007276
"135684"	114.066176	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+2H"	2.014552
"573056"	170.595626	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+2H"	2.014552
"1045136"	57.536726	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2H"	2.014552
"211946"	76.379876	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+3H"	3.021828
"653692"	114.066176	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+3H"	3.021828
"1166350"	38.693576	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+3H"	3.021828
"426340"	244.151623	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+NH4"	18.033823
"785918"	357.210523	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+NH4"	18.033823
"1682939"	131.092723	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+NH4"	18.033823
"338512"	122.5794495	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+H+NH4"	19.041099
"732027"	179.1088995	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+H+NH4"	19.041099
"1481473"	66.0499995	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H+NH4"	19.041099
"397966"	249.107018	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+Na"	22.989218
"758962"	362.165918	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+Na"	22.989218
"1609248"	136.048118	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Na"	22.989218
"320377"	125.057147	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+H+Na"	23.996494
"708788"	181.586597	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+H+Na"	23.996494
"1462245"	68.527697	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H+Na"	23.996494
"1060958"	46.02089	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2H+Na"	25.00377
"1262637"	146.092386	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+CH3OH+H"	33.033486
"381211"	265.080958	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+K"	38.963158
"744397"	378.139858	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+K"	38.963158
"1545360"	152.022058	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+K"	38.963158
"301807"	133.044117	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+H+K"	39.970434
"698236"	189.573567	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+H+K"	39.970434
"1453152"	76.514667	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H+K"	39.970434
"242846"	268.151626	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+ACN+H"	42.033826
"1217742"	155.092726	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+ACN+H"	42.033826
"1200532"	78.050001	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+ACN+2H"	43.041102
"192310"	271.08896	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+2Na-H"	44.97116
"630777"	384.14786	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+2Na-H"	44.97116
"1143762"	158.03006	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2Na-H"	44.97116
"186328"	136.048118	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+2Na"	45.978436
"625892"	192.577568	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+2Na"	45.978436
"1130497"	79.518668	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2Na"	45.978436
"1409642"	53.348204	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H+2Na"	46.985712
"1444678"	160.071646	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H+HCOOH"	47.012746
"225990"	141.08114	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+3H2O+2H"	56.04448
"1516239"	174.12369	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+IsoProp+H"	61.06479
"415924"	144.035088	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+Na+K"	61.952376
"782022"	200.564538	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+Na+K"	61.952376
"1675436"	87.505638	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Na+K"	61.952376
"260862"	290.133568	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+ACN+Na"	64.015768
"1234665"	177.074668	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+ACN+Na"	64.015768
"1721363"	177.098193	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+NH4+HCOOH"	64.039293
"1189634"	60.675518	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+3Na"	68.967654
"1660984"	182.053588	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Na+HCOOH"	68.994688
"168939"	303.03684	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+2K-H"	76.91904
"610322"	416.09574	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+2K-H"	76.91904
"1099092"	189.97794	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2K-H"	76.91904
"156962"	152.022058	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"2M+2K"	77.926316
"591577"	208.551508	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"3M+2K"	77.926316
"1079373"	95.492608	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2K"	77.926316
"1108206"	191.992492	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2K+H"	78.933592
"1342403"	192.080107	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+DMSO+H"	79.021207
"1020783"	196.119276	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2ACN+H"	83.060376
"1534530"	197.112908	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+IsoProp+Na+H"	84.054008
"998789"	98.563276	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+2ACN+2H"	84.067652
"1598771"	198.027528	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+K+HCOOH"	84.968628
"1426616"	228.059038	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+H+CF3COOH"	115.000138
"1161283"	119.076551	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+3ACN+2H"	125.094202
"1709738"	245.085585	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+NH4+CF3COOH"	132.026685
"1646480"	250.04098	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+Na+CF3COOH"	136.98208
"1586504"	266.01492	"C19280"	"3-(N-Nitrosomethylamino)propionitrile;3-(Methylnitrosamino)propionitrile"	"C4H7N3O"	"113.0589"	"M+K+CF3COOH"	152.95602
"807028"	88.0637	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M"	0
"989693"	69.04531	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-H2O-H"	-19.01839
"68802"	57.7018573333333	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M-3H"	-3.021828
"510555"	87.056424	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M-3H"	-3.021828
"883986"	28.3472906666667	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-3H"	-3.021828
"1830"	87.056424	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M-2H"	-2.014552
"443212"	131.088274	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M-2H"	-2.014552
"818828"	43.024574	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-2H"	-2.014552
"81010"	175.120124	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M-H"	-1.007276
"520569"	263.183824	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M-H"	-1.007276
"897640"	87.056424	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-H"	-1.007276
"49466"	192.146671	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M-2H+NH4"	16.019271
"488537"	280.210371	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M-2H+NH4"	16.019271
"864375"	104.082971	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-2H+NH4"	16.019271
"34731"	197.102066	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M-2H+Na"	20.974666
"473197"	285.165766	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M-2H+Na"	20.974666
"855374"	109.038366	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-2H+Na"	20.974666
"1620532"	109.038366	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Na-2H"	20.974666
"94505"	105.044763	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M-H+Cl"	33.962126
"536629"	149.076613	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M-H+Cl"	33.962126
"936707"	61.012913	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-H+Cl"	33.962126
"270162"	211.096802	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+Cl"	34.969402
"663312"	299.160502	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+Cl"	34.969402
"1277172"	123.033102	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Cl"	34.969402
"19363"	213.076006	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M-2H+K"	36.948606
"462206"	301.139706	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M-2H+K"	36.948606
"839277"	125.012306	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-2H+K"	36.948606
"1556932"	125.012306	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+K-2H"	36.948606
"943355"	133.061894	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-H+HCOOH"	44.998194
"362665"	221.125601	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+HCOOH-H"	44.998201
"348739"	235.141251	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+Hac-H"	59.013851
"1497206"	147.077551	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Hac-H"	59.013851
"965478"	155.043851	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-H+NaCOOH"	66.980151
"112560"	123.033102	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+2Cl"	69.938804
"558321"	167.064952	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+2Cl"	69.938804
"1028218"	79.001252	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2Cl"	69.938804
"1247796"	166.982585	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Br"	78.918885
"1314619"	169.038572	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Cl+HCOOH"	80.974872
"1325553"	191.020529	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Cl+NaCOOH"	102.956829
"916612"	201.049286	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M-H+CF3COOH"	112.985586
"1290768"	237.025964	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Cl+CF3COOH"	148.962264
"1373669"	53.051024	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H-2H2O"	-35.012676
"1388248"	71.061	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H-H2O"	-17.0027
"288660"	177.134676	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+H"	1.007276
"680355"	265.198376	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+H"	1.007276
"1358526"	89.070976	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H"	1.007276
"129233"	89.070976	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+2H"	2.014552
"566970"	133.102826	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+2H"	2.014552
"1045247"	45.039126	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2H"	2.014552
"208776"	59.7164093333333	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+3H"	3.021828
"647243"	89.070976	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+3H"	3.021828
"1168648"	30.3618426666667	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+3H"	3.021828
"424502"	194.161223	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+NH4"	18.033823
"786063"	282.224923	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+NH4"	18.033823
"1681712"	106.097523	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+NH4"	18.033823
"336435"	97.5842495	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+H+NH4"	19.041099
"727764"	141.6160995	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+H+NH4"	19.041099
"1485958"	53.5523995	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H+NH4"	19.041099
"398076"	199.116618	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+Na"	22.989218
"759072"	287.180318	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+Na"	22.989218
"1604618"	111.052918	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Na"	22.989218
"319394"	100.061947	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+H+Na"	23.996494
"708533"	144.093797	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+H+Na"	23.996494
"1468916"	56.030097	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H+Na"	23.996494
"1061068"	37.6891566666667	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2H+Na"	25.00377
"1264936"	121.097186	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+CH3OH+H"	33.033486
"382415"	215.090558	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+K"	38.963158
"743414"	303.154258	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+K"	38.963158
"1542184"	127.026858	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+K"	38.963158
"302647"	108.048917	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+H+K"	39.970434
"692879"	152.080767	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+H+K"	39.970434
"1447792"	64.017067	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H+K"	39.970434
"241864"	218.161226	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+ACN+H"	42.033826
"1215665"	130.097526	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+ACN+H"	42.033826
"1202829"	65.552401	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+ACN+2H"	43.041102
"192420"	221.09856	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+2Na-H"	44.97116
"635255"	309.16226	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+2Na-H"	44.97116
"1137675"	133.03486	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2Na-H"	44.97116
"185709"	111.052918	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+2Na"	45.978436
"624542"	155.084768	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+2Na"	45.978436
"1128409"	67.021068	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2Na"	45.978436
"1411205"	45.0164706666667	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H+2Na"	46.985712
"1433121"	135.076446	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H+HCOOH"	47.012746
"233755"	116.08594	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+3H2O+2H"	56.04448
"1518535"	149.12849	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+IsoProp+H"	61.06479
"417127"	119.039888	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+Na+K"	61.952376
"777029"	163.071738	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+Na+K"	61.952376
"1673360"	75.008038	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Na+K"	61.952376
"257691"	240.143168	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+ACN+Na"	64.015768
"1235867"	152.079468	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+ACN+Na"	64.015768
"1716006"	152.102993	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+NH4+HCOOH"	64.039293
"1184640"	52.3437846666667	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+3Na"	68.967654
"1660000"	157.058388	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Na+HCOOH"	68.994688
"164675"	253.04644	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+2K-H"	76.91904
"608609"	341.11014	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+2K-H"	76.91904
"1096407"	164.98274	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2K-H"	76.91904
"153223"	127.026858	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"2M+2K"	77.926316
"590594"	171.058708	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"3M+2K"	77.926316
"1078390"	82.995008	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2K"	77.926316
"1107223"	166.997292	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2K+H"	78.933592
"1337409"	167.084907	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+DMSO+H"	79.021207
"1019675"	171.124076	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2ACN+H"	83.060376
"1534640"	172.117708	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+IsoProp+Na+H"	84.054008
"996713"	86.065676	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+2ACN+2H"	84.067652
"1599975"	173.032328	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+K+HCOOH"	84.968628
"1428549"	203.063838	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+H+CF3COOH"	115.000138
"1162486"	106.578951	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+3ACN+2H"	125.094202
"1710941"	220.090385	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+NH4+CF3COOH"	132.026685
"1647683"	225.04578	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+Na+CF3COOH"	136.98208
"1586614"	241.01972	"C19281"	"N-Nitrosomethylethylamine"	"C3H8N2O"	"88.0637"	"M+K+CF3COOH"	152.95602
"808231"	86.048	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M"	0
"989544"	67.02961	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-H2O-H"	-19.01839
"67819"	56.3580573333333	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M-3H"	-3.021828
"513945"	85.040724	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M-3H"	-3.021828
"884094"	27.6753906666667	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-3H"	-3.021828
"4856"	85.040724	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M-2H"	-2.014552
"444416"	128.064724	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M-2H"	-2.014552
"822219"	42.016724	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-2H"	-2.014552
"85488"	171.088724	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M-H"	-1.007276
"523959"	257.136724	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M-H"	-1.007276
"901759"	85.040724	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-H"	-1.007276
"50669"	188.115271	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M-2H+NH4"	16.019271
"490228"	274.163271	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M-2H+NH4"	16.019271
"865967"	102.067271	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-2H+NH4"	16.019271
"35934"	193.070666	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M-2H+Na"	20.974666
"474401"	279.118666	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M-2H+Na"	20.974666
"853297"	107.022666	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-2H+Na"	20.974666
"1621735"	107.022666	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Na-2H"	20.974666
"95590"	103.029063	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M-H+Cl"	33.962126
"542205"	146.053063	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M-H+Cl"	33.962126
"936817"	60.005063	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-H+Cl"	33.962126
"273552"	207.065402	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+Cl"	34.969402
"664514"	293.113402	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+Cl"	34.969402
"1277646"	121.017402	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Cl"	34.969402
"19108"	209.044606	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M-2H+K"	36.948606
"463409"	295.092606	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M-2H+K"	36.948606
"841209"	122.996606	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-2H+K"	36.948606
"1559957"	122.996606	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+K-2H"	36.948606
"945287"	131.046194	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-H+HCOOH"	44.998194
"365690"	217.094201	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+HCOOH-H"	44.998201
"349211"	231.109851	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+Hac-H"	59.013851
"1499138"	145.061851	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Hac-H"	59.013851
"963402"	153.028151	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-H+NaCOOH"	66.980151
"114492"	121.017402	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+2Cl"	69.938804
"557337"	164.041402	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+2Cl"	69.938804
"1029422"	77.993402	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2Cl"	69.938804
"1245717"	164.966885	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Br"	78.918885
"1308531"	167.022872	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Cl+HCOOH"	80.974872
"1323109"	189.004829	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Cl+NaCOOH"	102.956829
"917815"	199.033586	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M-H+CF3COOH"	112.985586
"1294524"	235.010264	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Cl+CF3COOH"	148.962264
"1370860"	51.035324	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H-2H2O"	-35.012676
"1387994"	69.0453	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H-H2O"	-17.0027
"286949"	173.103276	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+H"	1.007276
"685568"	259.151276	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+H"	1.007276
"1358636"	87.055276	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H"	1.007276
"130431"	87.055276	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+2H"	2.014552
"571089"	130.079276	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+2H"	2.014552
"1049730"	44.031276	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2H"	2.014552
"215445"	58.3726093333333	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+3H"	3.021828
"650632"	87.055276	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+3H"	3.021828
"1173131"	29.6899426666667	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+3H"	3.021828
"424980"	190.129823	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+NH4"	18.033823
"785803"	276.177823	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+NH4"	18.033823
"1681576"	104.081823	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+NH4"	18.033823
"333628"	95.5685495	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+H+NH4"	19.041099
"726779"	138.5925495	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+H+NH4"	19.041099
"1481694"	52.5445495	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H+NH4"	19.041099
"398186"	195.085218	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+Na"	22.989218
"758453"	281.133218	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+Na"	22.989218
"1605457"	109.037218	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Na"	22.989218
"319504"	98.046247	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+H+Na"	23.996494
"708643"	141.070247	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+H+Na"	23.996494
"1467933"	55.022247	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H+Na"	23.996494
"1055345"	37.0172566666667	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2H+Na"	25.00377
"1261764"	119.081486	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+CH3OH+H"	33.033486
"381431"	211.059158	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+K"	38.963158
"744616"	297.107158	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+K"	38.963158
"1541927"	125.011158	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+K"	38.963158
"302754"	106.033217	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+H+K"	39.970434
"692622"	149.057217	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+H+K"	39.970434
"1450089"	63.009217	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H+K"	39.970434
"241973"	214.129826	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+ACN+H"	42.033826
"1216870"	128.081826	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+ACN+H"	42.033826
"1202940"	64.544551	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+ACN+2H"	43.041102
"191436"	217.06716	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+2Na-H"	44.97116
"630387"	303.11516	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+2Na-H"	44.97116
"1132316"	131.01916	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2Na-H"	44.97116
"186547"	109.037218	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+2Na"	45.978436
"626111"	152.061218	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+2Na"	45.978436
"1128518"	66.013218	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2Na"	45.978436
"1411679"	44.3445706666667	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H+2Na"	46.985712
"1435417"	133.060746	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H+HCOOH"	47.012746
"234229"	114.07024	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+3H2O+2H"	56.04448
"1519738"	147.11279	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+IsoProp+H"	61.06479
"418330"	117.024188	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+Na+K"	61.952376
"779325"	160.048188	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+Na+K"	61.952376
"1675656"	74.000188	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Na+K"	61.952376
"257801"	236.111768	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+ACN+Na"	64.015768
"1235977"	150.063768	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+ACN+Na"	64.015768
"1718303"	150.087293	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+NH4+HCOOH"	64.039293
"1186937"	51.6718846666667	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+3Na"	68.967654
"1661204"	155.042688	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Na+HCOOH"	68.994688
"164785"	249.01504	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+2K-H"	76.91904
"610906"	335.06304	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+2K-H"	76.91904
"1098343"	162.96704	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2K-H"	76.91904
"154305"	125.011158	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"2M+2K"	77.926316
"594835"	168.035158	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"3M+2K"	77.926316
"1076309"	81.987158	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2K"	77.926316
"1107331"	164.981592	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2K+H"	78.933592
"1337276"	165.069207	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+DMSO+H"	79.021207
"1018813"	169.108376	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2ACN+H"	83.060376
"1536936"	170.102008	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+IsoProp+Na+H"	84.054008
"999009"	85.057826	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+2ACN+2H"	84.067652
"1592427"	171.016628	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+K+HCOOH"	84.968628
"1421369"	201.048138	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+H+CF3COOH"	115.000138
"1161138"	105.571101	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+3ACN+2H"	125.094202
"1707771"	218.074685	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+NH4+CF3COOH"	132.026685
"1644513"	223.03008	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+Na+CF3COOH"	136.98208
"1586724"	239.00402	"C19282"	"N-Nitrosomethylvinylamine"	"C3H6N2O"	"86.048"	"M+K+CF3COOH"	152.95602
"807248"	116.0586	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M"	0
"989804"	97.04021	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-H2O-H"	-19.01839
"65743"	76.365124	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M-3H"	-3.021828
"510775"	115.051324	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M-3H"	-3.021828
"885298"	37.678924	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-3H"	-3.021828
"4967"	115.051324	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M-2H"	-2.014552
"442096"	173.080624	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M-2H"	-2.014552
"821233"	57.022024	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-2H"	-2.014552
"84505"	231.109924	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M-H"	-1.007276
"525162"	347.168524	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M-H"	-1.007276
"905152"	115.051324	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-H"	-1.007276
"50779"	248.136471	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M-2H+NH4"	16.019271
"491434"	364.195071	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M-2H+NH4"	16.019271
"868143"	132.077871	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-2H+NH4"	16.019271
"37138"	253.091866	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M-2H+Na"	20.974666
"474511"	369.150466	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M-2H+Na"	20.974666
"852314"	137.033266	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-2H+Na"	20.974666
"1621846"	137.033266	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Na-2H"	20.974666
"95334"	133.039663	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M-H+Cl"	33.962126
"541221"	191.068963	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M-H+Cl"	33.962126
"933647"	75.010363	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-H+Cl"	33.962126
"273298"	267.086602	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+Cl"	34.969402
"666813"	383.145202	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+Cl"	34.969402
"1277756"	151.028002	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Cl"	34.969402
"19583"	269.065806	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M-2H+K"	36.948606
"463519"	385.124406	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M-2H+K"	36.948606
"841319"	153.007206	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-2H+K"	36.948606
"1561160"	153.007206	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+K-2H"	36.948606
"945761"	161.056794	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-H+HCOOH"	44.998194
"365800"	277.115401	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+HCOOH-H"	44.998201
"350050"	291.131051	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+Hac-H"	59.013851
"1498882"	175.072451	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Hac-H"	59.013851
"965697"	183.038751	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-H+NaCOOH"	66.980151
"114602"	151.028002	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+2Cl"	69.938804
"557447"	209.057302	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+2Cl"	69.938804
"1031719"	92.998702	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2Cl"	69.938804
"1246193"	194.977485	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Br"	78.918885
"1309371"	197.033472	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Cl+HCOOH"	80.974872
"1325772"	219.015429	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Cl+NaCOOH"	102.956829
"916831"	229.044186	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M-H+CF3COOH"	112.985586
"1290621"	265.020864	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Cl+CF3COOH"	148.962264
"1372794"	81.045924	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H-2H2O"	-35.012676
"1389196"	99.0559	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H-H2O"	-17.0027
"289975"	233.124476	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+H"	1.007276
"682397"	349.183076	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+H"	1.007276
"1356559"	117.065876	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H"	1.007276
"129446"	117.065876	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+2H"	2.014552
"575573"	175.095176	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+2H"	2.014552
"1049841"	59.036576	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2H"	2.014552
"215558"	78.379676	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+3H"	3.021828
"652929"	117.065876	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+3H"	3.021828
"1173241"	39.693476	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+3H"	3.021828
"425576"	250.151023	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+NH4"	18.033823
"786205"	366.209623	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+NH4"	18.033823
"1681930"	134.092423	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+NH4"	18.033823
"335561"	125.5791495	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+H+NH4"	19.041099
"725796"	183.6084495	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+H+NH4"	19.041099
"1485448"	67.5498495	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H+NH4"	19.041099
"398296"	255.106418	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+Na"	22.989218
"758563"	371.165018	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+Na"	22.989218
"1605202"	139.047818	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Na"	22.989218
"318885"	128.056847	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+H+Na"	23.996494
"708505"	186.086147	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+H+Na"	23.996494
"1466950"	70.027547	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H+Na"	23.996494
"1055455"	47.02079	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2H+Na"	25.00377
"1260414"	149.092086	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+CH3OH+H"	33.033486
"382638"	271.080358	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+K"	38.963158
"743634"	387.138958	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+K"	38.963158
"1542770"	155.021758	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+K"	38.963158
"299947"	136.043817	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+H+K"	39.970434
"692732"	194.073117	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+H+K"	39.970434
"1451293"	78.014517	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H+K"	39.970434
"239895"	274.151026	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+ACN+H"	42.033826
"1219167"	158.092426	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+ACN+H"	42.033826
"1203050"	79.549851	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+ACN+2H"	43.041102
"193734"	277.08836	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+2Na-H"	44.97116
"631106"	393.14696	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+2Na-H"	44.97116
"1136801"	161.02976	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2Na-H"	44.97116
"186657"	139.047818	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+2Na"	45.978436
"625856"	197.077118	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+2Na"	45.978436
"1128628"	81.018518	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2Na"	45.978436
"1411061"	54.348104	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H+2Na"	46.985712
"1434434"	163.071346	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H+HCOOH"	47.012746
"232880"	144.08084	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+3H2O+2H"	56.04448
"1520941"	177.12339	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+IsoProp+H"	61.06479
"418440"	147.034788	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+Na+K"	61.952376
"781623"	205.064088	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+Na+K"	61.952376
"1674673"	89.005488	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Na+K"	61.952376
"260097"	296.132968	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+ACN+Na"	64.015768
"1233901"	180.074368	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+ACN+Na"	64.015768
"1718413"	180.097893	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+NH4+HCOOH"	64.039293
"1187047"	61.675418	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+3Na"	68.967654
"1661314"	185.053288	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Na+HCOOH"	68.994688
"168175"	309.03624	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+2K-H"	76.91904
"611016"	425.09484	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+2K-H"	76.91904
"1097718"	192.97764	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2K-H"	76.91904
"151254"	155.021758	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"2M+2K"	77.926316
"587533"	213.051058	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"3M+2K"	77.926316
"1076419"	96.992458	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2K"	77.926316
"1107441"	194.992192	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2K+H"	78.933592
"1338359"	195.079807	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+DMSO+H"	79.021207
"1019652"	199.118976	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2ACN+H"	83.060376
"1539356"	200.112608	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+IsoProp+Na+H"	84.054008
"999120"	100.063126	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+2ACN+2H"	84.067652
"1595817"	201.027228	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+K+HCOOH"	84.968628
"1428039"	231.058738	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+H+CF3COOH"	115.000138
"1161612"	120.576401	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+3ACN+2H"	125.094202
"1710068"	248.085285	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+NH4+CF3COOH"	132.026685
"1644623"	253.04068	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+Na+CF3COOH"	136.98208
"1586834"	269.01462	"C19283"	"N-Nitrosomorpholine"	"C4H8N2O2"	"116.0586"	"M+K+CF3COOH"	152.95602
"808451"	114.0793	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M"	0
"988182"	95.06091	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-H2O-H"	-19.01839
"66946"	75.0455906666667	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M-3H"	-3.021828
"517446"	113.072024	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M-3H"	-3.021828
"888687"	37.0191573333333	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-3H"	-3.021828
"3984"	113.072024	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M-2H"	-2.014552
"444638"	170.111674	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M-2H"	-2.014552
"822438"	56.032374	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-2H"	-2.014552
"86803"	227.151324	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M-H"	-1.007276
"524179"	341.230624	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M-H"	-1.007276
"903075"	113.072024	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-H"	-1.007276
"53076"	244.177871	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M-2H+NH4"	16.019271
"492637"	358.257171	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M-2H+NH4"	16.019271
"867160"	130.098571	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-2H+NH4"	16.019271
"37248"	249.133266	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M-2H+Na"	20.974666
"475714"	363.212566	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M-2H+Na"	20.974666
"853517"	135.053966	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-2H+Na"	20.974666
"1623050"	135.053966	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Na-2H"	20.974666
"95201"	131.060363	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M-H+Cl"	33.962126
"545704"	188.100013	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M-H+Cl"	33.962126
"933757"	74.020713	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-H+Cl"	33.962126
"273772"	263.128002	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+Cl"	34.969402
"664735"	377.207302	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+Cl"	34.969402
"1276408"	149.048702	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Cl"	34.969402
"19695"	265.107206	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M-2H+K"	36.948606
"463629"	379.186506	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M-2H+K"	36.948606
"841430"	151.027906	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-2H+K"	36.948606
"1562730"	151.027906	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+K-2H"	36.948606
"946238"	159.077494	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-H+HCOOH"	44.998194
"365547"	273.156801	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+HCOOH-H"	44.998201
"352714"	287.172451	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+Hac-H"	59.013851
"1499358"	173.093151	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Hac-H"	59.013851
"968723"	181.059451	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-H+NaCOOH"	66.980151
"114348"	149.048702	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+2Cl"	69.938804
"560109"	206.088352	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+2Cl"	69.938804
"1031829"	92.009052	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2Cl"	69.938804
"1248127"	192.998185	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Br"	78.918885
"1312762"	195.054172	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Cl+HCOOH"	80.974872
"1325883"	217.036129	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Cl+NaCOOH"	102.956829
"915848"	227.064886	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M-H+CF3COOH"	112.985586
"1290369"	263.041564	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Cl+CF3COOH"	148.962264
"1373998"	79.066624	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H-2H2O"	-35.012676
"1387119"	97.0766	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H-H2O"	-17.0027
"285346"	229.165876	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+H"	1.007276
"678133"	343.245176	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+H"	1.007276
"1353389"	115.086576	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H"	1.007276
"127370"	115.086576	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+2H"	2.014552
"580546"	172.126226	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+2H"	2.014552
"1052383"	58.046926	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2H"	2.014552
"217490"	77.0601426666667	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+3H"	3.021828
"657048"	115.086576	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+3H"	3.021828
"1172258"	39.0337093333333	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+3H"	3.021828
"425685"	246.192423	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+NH4"	18.033823
"786074"	360.271723	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+NH4"	18.033823
"1681798"	132.113123	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+NH4"	18.033823
"330566"	123.5998495	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+H+NH4"	19.041099
"722817"	180.6394995	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+H+NH4"	19.041099
"1477184"	66.5601995	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H+NH4"	19.041099
"392962"	251.147818	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+Na"	22.989218
"754227"	365.227118	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+Na"	22.989218
"1602998"	137.068518	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Na"	22.989218
"314272"	126.077547	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+H+Na"	23.996494
"708498"	183.117197	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+H+Na"	23.996494
"1465965"	69.037897	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H+Na"	23.996494
"1058117"	46.3610233333333	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2H+Na"	25.00377
"1260524"	147.112786	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+CH3OH+H"	33.033486
"381654"	267.121758	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+K"	38.963158
"744838"	381.201058	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+K"	38.963158
"1542880"	153.042458	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+K"	38.963158
"299325"	134.064517	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+H+K"	39.970434
"693208"	191.104167	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+H+K"	39.970434
"1446299"	77.024867	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H+K"	39.970434
"242192"	270.192426	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+ACN+H"	42.033826
"1214902"	156.113126	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+ACN+H"	42.033826
"1199878"	78.560201	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+ACN+2H"	43.041102
"193844"	273.12976	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+2Na-H"	44.97116
"632310"	387.20906	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+2Na-H"	44.97116
"1132778"	159.05046	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2Na-H"	44.97116
"178013"	137.068518	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+2Na"	45.978436
"615508"	194.108168	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+2Na"	45.978436
"1129467"	80.028868	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2Na"	45.978436
"1411536"	53.6883373333333	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H+2Na"	46.985712
"1442198"	161.092046	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H+HCOOH"	47.012746
"232988"	142.10154	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+3H2O+2H"	56.04448
"1518864"	175.14409	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+IsoProp+H"	61.06479
"418550"	145.055488	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+Na+K"	61.952376
"783920"	202.095138	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+Na+K"	61.952376
"1678063"	88.015838	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Na+K"	61.952376
"261301"	292.174368	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+ACN+Na"	64.015768
"1234011"	178.095068	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+ACN+Na"	64.015768
"1720710"	178.118593	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+NH4+HCOOH"	64.039293
"1189344"	61.0156513333333	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+3Na"	68.967654
"1664704"	183.073988	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Na+HCOOH"	68.994688
"172295"	305.07764	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+2K-H"	76.91904
"611735"	419.15694	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+2K-H"	76.91904
"1098316"	190.99834	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2K-H"	76.91904
"154644"	153.042458	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"2M+2K"	77.926316
"586550"	210.082108	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"3M+2K"	77.926316
"1078716"	96.002808	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2K"	77.926316
"1107551"	193.012892	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2K+H"	78.933592
"1340656"	193.100507	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+DMSO+H"	79.021207
"1012468"	197.139676	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2ACN+H"	83.060376
"1538250"	198.133308	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+IsoProp+Na+H"	84.054008
"998136"	99.073476	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+2ACN+2H"	84.067652
"1595927"	199.047928	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+K+HCOOH"	84.968628
"1427423"	229.079438	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+H+CF3COOH"	115.000138
"1159534"	119.586751	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+3ACN+2H"	125.094202
"1707992"	246.105985	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+NH4+CF3COOH"	132.026685
"1646920"	251.06138	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+Na+CF3COOH"	136.98208
"1586944"	267.03532	"C19284"	"N-Nitrosopiperidine"	"C5H10N2O"	"114.0793"	"M+K+CF3COOH"	152.95602
"807468"	100.0637	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M"	0
"985376"	81.04531	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-H2O-H"	-19.01839
"67056"	65.7018573333333	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M-3H"	-3.021828
"512088"	99.056424	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M-3H"	-3.021828
"883330"	32.3472906666667	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-3H"	-3.021828
"4095"	99.056424	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M-2H"	-2.014552
"442561"	149.088274	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M-2H"	-2.014552
"821455"	49.024574	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-2H"	-2.014552
"84726"	199.120124	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M-H"	-1.007276
"522103"	299.183824	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M-H"	-1.007276
"903185"	99.056424	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-H"	-1.007276
"53186"	216.146671	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M-2H+NH4"	16.019271
"492747"	316.210371	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M-2H+NH4"	16.019271
"866176"	116.082971	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-2H+NH4"	16.019271
"35171"	221.102066	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M-2H+Na"	20.974666
"473637"	321.165766	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M-2H+Na"	20.974666
"853627"	121.038366	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-2H+Na"	20.974666
"1622066"	121.038366	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Na-2H"	20.974666
"94281"	117.044763	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M-H+Cl"	33.962126
"545814"	167.076613	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M-H+Cl"	33.962126
"934961"	67.012913	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-H+Cl"	33.962126
"277893"	235.096802	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+Cl"	34.969402
"667033"	335.160502	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+Cl"	34.969402
"1278343"	135.033102	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Cl"	34.969402
"25273"	237.076006	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M-2H+K"	36.948606
"467749"	337.139706	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M-2H+K"	36.948606
"842634"	137.012306	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-2H+K"	36.948606
"1562842"	137.012306	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+K-2H"	36.948606
"949629"	145.061894	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-H+HCOOH"	44.998194
"365657"	245.125601	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+HCOOH-H"	44.998201
"356104"	259.141251	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+Hac-H"	59.013851
"1499468"	159.077551	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Hac-H"	59.013851
"969197"	167.043851	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-H+NaCOOH"	66.980151
"113001"	135.033102	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+2Cl"	69.938804
"559854"	185.064952	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+2Cl"	69.938804
"1036682"	85.001252	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2Cl"	69.938804
"1248237"	178.982585	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Br"	78.918885
"1310685"	181.038572	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Cl+HCOOH"	80.974872
"1323079"	203.020529	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Cl+NaCOOH"	102.956829
"915959"	213.049286	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M-H+CF3COOH"	112.985586
"1290480"	249.025964	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Cl+CF3COOH"	148.962264
"1369735"	65.051024	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H-2H2O"	-35.012676
"1388323"	83.061	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H-H2O"	-17.0027
"285822"	201.134676	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+H"	1.007276
"679337"	301.198376	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+H"	1.007276
"1355686"	101.070976	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H"	1.007276
"130760"	101.070976	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+2H"	2.014552
"580777"	151.102826	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+2H"	2.014552
"1048602"	51.039126	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2H"	2.014552
"219548"	67.7164093333333	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+3H"	3.021828
"654246"	101.070976	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+3H"	3.021828
"1172371"	34.3618426666667	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+3H"	3.021828
"425799"	218.161223	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+NH4"	18.033823
"786021"	318.224923	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+NH4"	18.033823
"1681664"	118.097523	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+NH4"	18.033823
"330008"	109.5842495	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+H+NH4"	19.041099
"722807"	159.6160995	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+H+NH4"	19.041099
"1477132"	59.5523995	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H+NH4"	19.041099
"392897"	223.116618	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+Na"	22.989218
"754361"	323.180318	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+Na"	22.989218
"1603027"	123.052918	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Na"	22.989218
"314557"	112.061947	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+H+Na"	23.996494
"707515"	162.093797	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+H+Na"	23.996494
"1465347"	62.030097	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H+Na"	23.996494
"1053122"	41.6891566666667	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2H+Na"	25.00377
"1260635"	133.097186	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+CH3OH+H"	33.033486
"381763"	239.090558	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+K"	38.963158
"739477"	339.154258	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+K"	38.963158
"1539886"	139.026858	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+K"	38.963158
"298700"	120.048917	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+H+K"	39.970434
"692223"	170.080767	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+H+K"	39.970434
"1446035"	70.017067	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H+K"	39.970434
"235771"	242.161226	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+ACN+H"	42.033826
"1210006"	142.097526	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+ACN+H"	42.033826
"1194312"	71.552401	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+ACN+2H"	43.041102
"188626"	245.09856	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+2Na-H"	44.97116
"628845"	345.16226	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+2Na-H"	44.97116
"1131793"	145.03486	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2Na-H"	44.97116
"173662"	123.052918	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+2Na"	45.978436
"613016"	173.084768	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+2Na"	45.978436
"1124472"	73.021068	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2Na"	45.978436
"1410186"	49.0164706666667	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H+2Na"	46.985712
"1441942"	147.076446	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H+HCOOH"	47.012746
"233099"	128.08594	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+3H2O+2H"	56.04448
"1518973"	161.12849	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+IsoProp+H"	61.06479
"415379"	131.039888	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+Na+K"	61.952376
"779656"	181.071738	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+Na+K"	61.952376
"1679267"	81.008038	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Na+K"	61.952376
"258131"	264.143168	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+ACN+Na"	64.015768
"1229747"	164.079468	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+ACN+Na"	64.015768
"1718633"	164.102993	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+NH4+HCOOH"	64.039293
"1186174"	56.3437846666667	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+3Na"	68.967654
"1664814"	169.058388	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Na+HCOOH"	68.994688
"171676"	277.04644	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+2K-H"	76.91904
"606862"	377.11014	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+2K-H"	76.91904
"1098305"	176.98274	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2K-H"	76.91904
"153661"	139.026858	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"2M+2K"	77.926316
"588846"	189.058708	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"3M+2K"	77.926316
"1073359"	88.995008	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2K"	77.926316
"1106567"	178.997292	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2K+H"	78.933592
"1342952"	179.084907	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+DMSO+H"	79.021207
"1006258"	183.124076	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2ACN+H"	83.060376
"1529611"	184.117708	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+IsoProp+Na+H"	84.054008
"996059"	92.065676	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+2ACN+2H"	84.067652
"1591659"	185.032328	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+K+HCOOH"	84.968628
"1422790"	215.063838	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+H+CF3COOH"	115.000138
"1156360"	112.578951	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+3ACN+2H"	125.094202
"1709193"	232.090385	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+NH4+CF3COOH"	132.026685
"1639374"	237.04578	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+Na+CF3COOH"	136.98208
"1577213"	253.01972	"C19285"	"N-Nitrosopyrrolidine"	"C4H8N2O"	"100.0637"	"M+K+CF3COOH"	152.95602
"807578"	118.0378	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M"	0
"985122"	99.01941	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-H2O-H"	-19.01839
"69352"	77.6845906666667	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M-3H"	-3.021828
"516572"	117.030524	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M-3H"	-3.021828
"891093"	38.3386573333333	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-3H"	-3.021828
"7483"	117.030524	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M-2H"	-2.014552
"444857"	176.049424	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M-2H"	-2.014552
"823751"	58.011624	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-2H"	-2.014552
"84836"	235.068324	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M-H"	-1.007276
"525492"	353.106124	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M-H"	-1.007276
"903295"	117.030524	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-H"	-1.007276
"55483"	252.094871	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M-2H+NH4"	16.019271
"497960"	370.132671	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M-2H+NH4"	16.019271
"868473"	134.057071	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-2H+NH4"	16.019271
"35281"	257.050266	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M-2H+Na"	20.974666
"473747"	375.088066	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M-2H+Na"	20.974666
"854830"	139.012466	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-2H+Na"	20.974666
"1622176"	139.012466	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Na-2H"	20.974666
"94305"	135.018863	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M-H+Cl"	33.962126
"546654"	194.037763	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M-H+Cl"	33.962126
"935071"	75.999963	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-H+Cl"	33.962126
"279096"	271.045002	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+Cl"	34.969402
"671517"	389.082802	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+Cl"	34.969402
"1280640"	153.007202	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Cl"	34.969402
"26477"	273.024206	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M-2H+K"	36.948606
"468953"	391.062006	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M-2H+K"	36.948606
"843838"	154.986406	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-2H+K"	36.948606
"1558578"	154.986406	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+K-2H"	36.948606
"951929"	163.035994	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-H+HCOOH"	44.998194
"371238"	281.073801	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+HCOOH-H"	44.998201
"356214"	295.089451	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+Hac-H"	59.013851
"1497392"	177.051651	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Hac-H"	59.013851
"969308"	185.017951	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-H+NaCOOH"	66.980151
"113476"	153.007202	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+2Cl"	69.938804
"558871"	212.026102	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+2Cl"	69.938804
"1036956"	93.988302	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2Cl"	69.938804
"1254909"	196.956685	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Br"	78.918885
"1308611"	199.012672	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Cl+HCOOH"	80.974872
"1322095"	220.994629	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Cl+NaCOOH"	102.956829
"918257"	231.023386	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M-H+CF3COOH"	112.985586
"1294965"	267.000064	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Cl+CF3COOH"	148.962264
"1378592"	83.025124	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H-2H2O"	-35.012676
"1388433"	101.0351	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H-H2O"	-17.0027
"289212"	237.082876	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+H"	1.007276
"682727"	355.120676	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+H"	1.007276
"1355796"	119.045076	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H"	1.007276
"130870"	119.045076	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+2H"	2.014552
"580651"	178.063976	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+2H"	2.014552
"1051513"	60.026176	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2H"	2.014552
"218564"	79.6991426666667	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+3H"	3.021828
"656542"	119.045076	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+3H"	3.021828
"1175761"	40.3532093333333	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+3H"	3.021828
"427001"	254.109423	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+NH4"	18.033823
"792370"	372.147223	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+NH4"	18.033823
"1683235"	136.071623	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+NH4"	18.033823
"330462"	127.5583495	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+H+NH4"	19.041099
"725032"	186.5772495	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+H+NH4"	19.041099
"1478488"	68.5394495	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H+NH4"	19.041099
"393517"	259.064818	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+Na"	22.989218
"755974"	377.102618	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+Na"	22.989218
"1603459"	141.027018	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Na"	22.989218
"315320"	130.036047	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+H+Na"	23.996494
"707865"	189.054947	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+H+Na"	23.996494
"1465093"	71.017147	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H+Na"	23.996494
"1058338"	47.6805233333333	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2H+Na"	25.00377
"1260745"	151.071286	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+CH3OH+H"	33.033486
"381873"	275.038758	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+K"	38.963158
"740316"	393.076558	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+K"	38.963158
"1540380"	157.000958	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+K"	38.963158
"299134"	138.023017	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+H+K"	39.970434
"691486"	197.041917	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+H+K"	39.970434
"1446147"	79.004117	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H+K"	39.970434
"237672"	278.109426	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+ACN+H"	42.033826
"1209953"	160.071626	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+ACN+H"	42.033826
"1194381"	80.539451	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+ACN+2H"	43.041102
"188601"	281.04676	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+2Na-H"	44.97116
"628999"	399.08456	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+2Na-H"	44.97116
"1132753"	163.00896	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2Na-H"	44.97116
"176041"	141.027018	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+2Na"	45.978436
"614633"	200.045918	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+2Na"	45.978436
"1124582"	82.008118	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2Na"	45.978436
"1409203"	55.0078373333333	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H+2Na"	46.985712
"1443147"	165.050546	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H+HCOOH"	47.012746
"231022"	146.06004	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+3H2O+2H"	56.04448
"1519083"	179.10259	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+IsoProp+H"	61.06479
"416582"	149.013988	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+Na+K"	61.952376
"777576"	208.032888	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+Na+K"	61.952376
"1679621"	89.995088	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Na+K"	61.952376
"259334"	300.091368	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+ACN+Na"	64.015768
"1233137"	182.053568	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+ACN+Na"	64.015768
"1718743"	182.077093	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+NH4+HCOOH"	64.039293
"1185190"	62.3351513333333	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+3Na"	68.967654
"1659457"	187.032488	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Na+HCOOH"	68.994688
"171667"	312.99464	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+2K-H"	76.91904
"608065"	431.03244	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+2K-H"	76.91904
"1097322"	194.95684	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2K-H"	76.91904
"152677"	157.000958	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"2M+2K"	77.926316
"588956"	216.019858	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"3M+2K"	77.926316
"1073469"	97.982058	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2K"	77.926316
"1106677"	196.971392	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2K+H"	78.933592
"1346342"	197.059007	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+DMSO+H"	79.021207
"1006489"	201.098176	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2ACN+H"	83.060376
"1529721"	202.091808	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+IsoProp+Na+H"	84.054008
"999449"	101.052726	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+2ACN+2H"	84.067652
"1591769"	203.006428	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+K+HCOOH"	84.968628
"1422900"	233.037938	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+H+CF3COOH"	115.000138
"1157564"	121.566001	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+3ACN+2H"	125.094202
"1708210"	250.064485	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+NH4+CF3COOH"	132.026685
"1639484"	255.01988	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+Na+CF3COOH"	136.98208
"1577323"	270.99382	"C19286"	"N-Nitrososarcosine"	"C3H6N2O3"	"118.0378"	"M+K+CF3COOH"	152.95602
"804408"	262.1106	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M"	0
"984502"	243.09221	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-H2O-H"	-19.01839
"66182"	173.733124	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M-3H"	-3.021828
"514493"	261.103324	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M-3H"	-3.021828
"887923"	86.362924	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-3H"	-3.021828
"6500"	261.103324	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M-2H"	-2.014552
"443873"	392.158624	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M-2H"	-2.014552
"821675"	130.048024	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-2H"	-2.014552
"79353"	523.213924	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M-H"	-1.007276
"526695"	785.324524	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M-H"	-1.007276
"903405"	261.103324	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-H"	-1.007276
"55593"	540.240471	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M-2H+NH4"	16.019271
"496247"	802.351071	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M-2H+NH4"	16.019271
"869676"	278.129871	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-2H+NH4"	16.019271
"36484"	545.195866	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M-2H+Na"	20.974666
"472397"	807.306466	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M-2H+Na"	20.974666
"853847"	283.085266	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-2H+Na"	20.974666
"1622286"	283.085266	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Na-2H"	20.974666
"94796"	279.091663	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M-H+Cl"	33.962126
"547128"	410.146963	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M-H+Cl"	33.962126
"935181"	148.036363	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-H+Cl"	33.962126
"274832"	559.190602	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+Cl"	34.969402
"671627"	821.301202	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+Cl"	34.969402
"1278563"	297.080002	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Cl"	34.969402
"24400"	561.169806	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M-2H+K"	36.948606
"465054"	823.280406	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M-2H+K"	36.948606
"840668"	299.059206	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-2H+K"	36.948606
"1558688"	299.059206	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+K-2H"	36.948606
"945843"	307.108794	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-H+HCOOH"	44.998194
"364058"	569.219401	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+HCOOH-H"	44.998201
"350857"	583.235051	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+Hac-H"	59.013851
"1497501"	321.124451	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Hac-H"	59.013851
"965044"	329.090751	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-H+NaCOOH"	66.980151
"114314"	297.080002	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+2Cl"	69.938804
"550461"	428.135302	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+2Cl"	69.938804
"1036169"	166.024702	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2Cl"	69.938804
"1255018"	341.029485	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Br"	78.918885
"1309814"	343.085472	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Cl+HCOOH"	80.974872
"1322206"	365.067429	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Cl+NaCOOH"	102.956829
"918367"	375.096186	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M-H+CF3COOH"	112.985586
"1297262"	411.072864	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Cl+CF3COOH"	148.962264
"1378702"	227.097924	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H-2H2O"	-35.012676
"1391823"	245.1079	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H-H2O"	-17.0027
"289322"	525.228476	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+H"	1.007276
"682837"	787.339076	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+H"	1.007276
"1362466"	263.117876	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H"	1.007276
"128794"	263.117876	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+2H"	2.014552
"579296"	394.173176	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+2H"	2.014552
"1052474"	132.062576	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2H"	2.014552
"219401"	175.747676	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+3H"	3.021828
"656651"	263.117876	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+3H"	3.021828
"1174778"	88.377476	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+3H"	3.021828
"431485"	542.255023	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+NH4"	18.033823
"790294"	804.365623	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+NH4"	18.033823
"1685532"	280.144423	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+NH4"	18.033823
"333448"	271.6311495	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+H+NH4"	19.041099
"724413"	402.6864495	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+H+NH4"	19.041099
"1479326"	140.5758495	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H+NH4"	19.041099
"393871"	547.210418	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+Na"	22.989218
"755720"	809.321018	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+Na"	22.989218
"1604544"	285.099818	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Na"	22.989218
"316402"	274.108847	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+H+Na"	23.996494
"707974"	405.164147	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+H+Na"	23.996494
"1466296"	143.053547	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H+Na"	23.996494
"1059541"	95.70479	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2H+Na"	25.00377
"1260128"	295.144086	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+CH3OH+H"	33.033486
"381983"	563.184358	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+K"	38.963158
"739698"	825.294958	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+K"	38.963158
"1541749"	301.073758	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+K"	38.963158
"299004"	282.095817	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+H+K"	39.970434
"691548"	413.151117	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+H+K"	39.970434
"1446986"	151.040517	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H+K"	39.970434
"237418"	566.255026	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+ACN+H"	42.033826
"1211221"	304.144426	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+ACN+H"	42.033826
"1195465"	152.575851	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+ACN+2H"	43.041102
"188701"	569.19236	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+2Na-H"	44.97116
"628989"	831.30296	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+2Na-H"	44.97116
"1135047"	307.08176	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2Na-H"	44.97116
"173714"	285.099818	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+2Na"	45.978436
"614743"	416.155118	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+2Na"	45.978436
"1122506"	154.044518	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2Na"	45.978436
"1408949"	103.032104	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H+2Na"	46.985712
"1438881"	309.123346	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H+HCOOH"	47.012746
"228945"	290.13284	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+3H2O+2H"	56.04448
"1519921"	323.17539	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+IsoProp+H"	61.06479
"416690"	293.086788	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+Na+K"	61.952376
"777686"	424.142088	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+Na+K"	61.952376
"1678393"	162.031488	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Na+K"	61.952376
"258350"	588.236968	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+ACN+Na"	64.015768
"1235434"	326.126368	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+ACN+Na"	64.015768
"1719946"	326.149893	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+NH4+HCOOH"	64.039293
"1185300"	110.359418	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+3Na"	68.967654
"1659567"	331.105288	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Na+HCOOH"	68.994688
"168615"	601.14024	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+2K-H"	76.91904
"608175"	863.25084	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+2K-H"	76.91904
"1095973"	339.02964	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2K-H"	76.91904
"152787"	301.073758	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"2M+2K"	77.926316
"585786"	432.129058	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"3M+2K"	77.926316
"1075766"	170.018458	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2K"	77.926316
"1107881"	341.044192	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2K+H"	78.933592
"1346452"	341.131807	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+DMSO+H"	79.021207
"1009517"	345.170976	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2ACN+H"	83.060376
"1529831"	346.164608	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+IsoProp+Na+H"	84.054008
"998466"	173.089126	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+2ACN+2H"	84.067652
"1590786"	347.079228	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+K+HCOOH"	84.968628
"1424103"	377.110738	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+H+CF3COOH"	115.000138
"1156581"	193.602401	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+3ACN+2H"	125.094202
"1708320"	394.137285	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+NH4+CF3COOH"	132.026685
"1638501"	399.09268	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+Na+CF3COOH"	136.98208
"1577433"	415.06662	"C19287"	"Oil Orange SS"	"C17H14N2O"	"262.1106"	"M+K+CF3COOH"	152.95602
"806706"	293.076	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M"	0
"983519"	274.05761	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-H2O-H"	-19.01839
"66296"	194.376724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M-3H"	-3.021828
"516792"	292.068724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M-3H"	-3.021828
"886942"	96.684724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-3H"	-3.021828
"5516"	292.068724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M-2H"	-2.014552
"443983"	438.606724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M-2H"	-2.014552
"821786"	145.530724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-2H"	-2.014552
"92963"	585.144724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M-H"	-1.007276
"531183"	878.220724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M-H"	-1.007276
"909961"	292.068724	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-H"	-1.007276
"58621"	602.171271	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M-2H+NH4"	16.019271
"491988"	895.247271	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M-2H+NH4"	16.019271
"868695"	309.095271	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-2H+NH4"	16.019271
"37689"	607.126666	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M-2H+Na"	20.974666
"475061"	900.202666	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M-2H+Na"	20.974666
"849334"	314.050666	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-2H+Na"	20.974666
"1618988"	314.050666	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Na-2H"	20.974666
"108773"	310.057063	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M-H+Cl"	33.962126
"545056"	456.595063	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M-H+Cl"	33.962126
"935290"	163.519063	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-H+Cl"	33.962126
"277129"	621.121402	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+Cl"	34.969402
"664082"	914.197402	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+Cl"	34.969402
"1284141"	328.045402	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Cl"	34.969402
"23417"	623.100606	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M-2H+K"	36.948606
"460789"	916.176606	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M-2H+K"	36.948606
"836037"	330.024606	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-2H+K"	36.948606
"1558429"	330.024606	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+K-2H"	36.948606
"946680"	338.074194	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-H+HCOOH"	44.998194
"362707"	631.150201	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+HCOOH-H"	44.998201
"353155"	645.165851	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+Hac-H"	59.013851
"1497615"	352.089851	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Hac-H"	59.013851
"964063"	360.056151	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-H+NaCOOH"	66.980151
"111507"	328.045402	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+2Cl"	69.938804
"562741"	474.583402	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+2Cl"	69.938804
"1031176"	181.507402	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2Cl"	69.938804
"1255130"	371.994885	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Br"	78.918885
"1317577"	374.050872	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Cl+HCOOH"	80.974872
"1328512"	396.032829	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Cl+NaCOOH"	102.956829
"920663"	406.061586	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M-H+CF3COOH"	112.985586
"1297371"	442.038264	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Cl+CF3COOH"	148.962264
"1375532"	258.063324	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H-2H2O"	-35.012676
"1388654"	276.0733	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H-H2O"	-17.0027
"295995"	587.159276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+H"	1.007276
"686230"	880.235276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+H"	1.007276
"1362577"	294.083276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H"	1.007276
"135469"	294.083276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+2H"	2.014552
"580500"	440.621276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+2H"	2.014552
"1051485"	147.545276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2H"	2.014552
"213919"	196.391276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+3H"	3.021828
"654573"	294.083276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+3H"	3.021828
"1170510"	98.699276	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+3H"	3.021828
"432689"	604.185823	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+NH4"	18.033823
"792591"	897.261823	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+NH4"	18.033823
"1685642"	311.109823	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+NH4"	18.033823
"331373"	302.5965495	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+H+NH4"	19.041099
"724523"	449.1345495	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+H+NH4"	19.041099
"1479072"	156.0585495	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H+NH4"	19.041099
"394106"	609.141218	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+Na"	22.989218
"755825"	902.217218	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+Na"	22.989218
"1605747"	316.065218	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Na"	22.989218
"315787"	305.074247	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+H+Na"	23.996494
"708936"	451.612247	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+H+Na"	23.996494
"1463849"	158.536247	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H+Na"	23.996494
"1054057"	106.02659	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2H+Na"	25.00377
"1261330"	326.109486	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+CH3OH+H"	33.033486
"377513"	625.115158	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+K"	38.963158
"740901"	918.191158	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+K"	38.963158
"1540642"	332.039158	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+K"	38.963158
"299155"	313.061217	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+H+K"	39.970434
"692186"	459.599217	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+H+K"	39.970434
"1447829"	166.523217	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H+K"	39.970434
"237646"	628.185826	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+ACN+H"	42.033826
"1213151"	335.109826	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+ACN+H"	42.033826
"1200315"	168.058551	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+ACN+2H"	43.041102
"190999"	631.12316	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+2Na-H"	44.97116
"630681"	924.19916	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+2Na-H"	44.97116
"1134186"	338.04716	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2Na-H"	44.97116
"177360"	316.065218	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+2Na"	45.978436
"621299"	462.603218	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+2Na"	45.978436
"1123713"	169.527218	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2Na"	45.978436
"1412347"	113.353904	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H+2Na"	46.985712
"1437172"	340.088746	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H+HCOOH"	47.012746
"224681"	321.09824	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+3H2O+2H"	56.04448
"1516022"	354.14079	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+IsoProp+H"	61.06479
"414616"	324.052188	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+Na+K"	61.952376
"778892"	470.590188	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+Na+K"	61.952376
"1676316"	177.514188	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Na+K"	61.952376
"255181"	650.167768	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+ACN+Na"	64.015768
"1227160"	357.091768	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+ACN+Na"	64.015768
"1715683"	357.115293	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+NH4+HCOOH"	64.039293
"1187598"	120.681218	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+3Na"	68.967654
"1658585"	362.070688	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Na+HCOOH"	68.994688
"162166"	663.07104	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+2K-H"	76.91904
"602821"	956.14704	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+2K-H"	76.91904
"1092801"	369.99504	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2K-H"	76.91904
"149618"	332.039158	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"2M+2K"	77.926316
"588085"	478.577158	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"3M+2K"	77.926316
"1071503"	185.501158	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2K"	77.926316
"1100944"	372.009592	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2K+H"	78.933592
"1340005"	372.097207	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+DMSO+H"	79.021207
"1009629"	376.136376	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2ACN+H"	83.060376
"1531036"	377.130008	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+IsoProp+Na+H"	84.054008
"997491"	188.571826	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+2ACN+2H"	84.067652
"1595273"	378.044628	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+K+HCOOH"	84.968628
"1427497"	408.076138	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+H+CF3COOH"	115.000138
"1159608"	209.085101	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+3ACN+2H"	125.094202
"1709523"	425.102685	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+NH4+CF3COOH"	132.026685
"1646996"	430.05808	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+Na+CF3COOH"	136.98208
"1580824"	446.03202	"C19289"	"Panfuran S;Dihydroxymethylfuratrizine"	"C11H11N5O5"	"293.076"	"M+K+CF3COOH"	152.95602
"807909"	249.0781	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M"	0
"983629"	230.05971	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-H2O-H"	-19.01839
"66406"	165.044790666667	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M-3H"	-3.021828
"513622"	248.070824	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M-3H"	-3.021828
"883772"	82.0187573333333	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-3H"	-3.021828
"3440"	248.070824	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M-2H"	-2.014552
"444093"	372.609874	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M-2H"	-2.014552
"819710"	123.531774	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-2H"	-2.014552
"93601"	497.148924	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M-H"	-1.007276
"532021"	746.227024	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M-H"	-1.007276
"910190"	248.070824	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-H"	-1.007276
"58367"	514.175471	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M-2H+NH4"	16.019271
"492098"	763.253571	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M-2H+NH4"	16.019271
"868805"	265.097371	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-2H+NH4"	16.019271
"37799"	519.130866	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M-2H+Na"	20.974666
"476264"	768.208966	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M-2H+Na"	20.974666
"854065"	270.052766	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-2H+Na"	20.974666
"1619466"	270.052766	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Na-2H"	20.974666
"108883"	266.059163	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M-H+Cl"	33.962126
"538239"	390.598213	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M-H+Cl"	33.962126
"935399"	141.520113	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-H+Cl"	33.962126
"277238"	533.125602	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+Cl"	34.969402
"668566"	782.203702	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+Cl"	34.969402
"1285345"	284.047502	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Cl"	34.969402
"24621"	535.104806	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M-2H+K"	36.948606
"464180"	784.182906	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M-2H+K"	36.948606
"837607"	286.026706	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-2H+K"	36.948606
"1558177"	286.026706	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+K-2H"	36.948606
"946791"	294.076294	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-H+HCOOH"	44.998194
"362937"	543.154401	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+HCOOH-H"	44.998201
"353265"	557.170051	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+Hac-H"	59.013851
"1497725"	308.091951	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Hac-H"	59.013851
"964173"	316.058251	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-H+NaCOOH"	66.980151
"111495"	284.047502	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+2Cl"	69.938804
"562851"	408.586552	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+2Cl"	69.938804
"1031287"	159.508452	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2Cl"	69.938804
"1255240"	327.996985	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Br"	78.918885
"1319146"	330.052972	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Cl+HCOOH"	80.974872
"1332996"	352.034929	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Cl+NaCOOH"	102.956829
"925147"	362.063686	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M-H+CF3COOH"	112.985586
"1301855"	398.040364	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Cl+CF3COOH"	148.962264
"1378923"	214.065424	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H-2H2O"	-35.012676
"1392044"	232.0754	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H-H2O"	-17.0027
"297930"	499.163476	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+H"	1.007276
"689258"	748.241576	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+H"	1.007276
"1361594"	250.085376	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H"	1.007276
"135575"	250.085376	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+2H"	2.014552
"580854"	374.624426	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+2H"	2.014552
"1049409"	125.546326	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2H"	2.014552
"210749"	167.059342666667	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+3H"	3.021828
"655413"	250.085376	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+3H"	3.021828
"1166245"	84.0333093333333	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+3H"	3.021828
"432799"	516.190023	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+NH4"	18.033823
"792701"	765.268123	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+NH4"	18.033823
"1690125"	267.111923	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+NH4"	18.033823
"337312"	258.5986495	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+H+NH4"	19.041099
"726088"	383.1376995	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+H+NH4"	19.041099
"1482458"	134.0595995	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H+NH4"	19.041099
"396764"	521.145418	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+Na"	22.989218
"757031"	770.223518	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+Na"	22.989218
"1603667"	272.067318	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Na"	22.989218
"316260"	261.076347	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+H+Na"	23.996494
"709775"	385.615397	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+H+Na"	23.996494
"1464325"	136.537297	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H+Na"	23.996494
"1056113"	91.3606233333333	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2H+Na"	25.00377
"1260347"	282.111586	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+CH3OH+H"	33.033486
"378190"	537.119358	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+K"	38.963158
"739915"	786.197458	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+K"	38.963158
"1541359"	288.041258	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+K"	38.963158
"300602"	269.063317	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+H+K"	39.970434
"693755"	393.602367	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+H+K"	39.970434
"1448304"	144.524267	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H+K"	39.970434
"239459"	540.190026	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+ACN+H"	42.033826
"1215448"	291.111926	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+ACN+H"	42.033826
"1201518"	146.059601	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+ACN+2H"	43.041102
"192203"	543.12736	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+2Na-H"	44.97116
"629088"	792.20546	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+2Na-H"	44.97116
"1132027"	294.04926	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2Na-H"	44.97116
"179656"	272.067318	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+2Na"	45.978436
"618131"	396.606368	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+2Na"	45.978436
"1122730"	147.528268	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2Na"	45.978436
"1412820"	98.6879373333333	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H+2Na"	46.985712
"1437281"	296.090846	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H+HCOOH"	47.012746
"224791"	277.10034	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+3H2O+2H"	56.04448
"1515039"	310.14289	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+IsoProp+H"	61.06479
"412540"	280.054288	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+Na+K"	61.952376
"775722"	404.593338	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+Na+K"	61.952376
"1673146"	155.515238	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Na+K"	61.952376
"255291"	562.171968	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+ACN+Na"	64.015768
"1230186"	313.093868	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+ACN+Na"	64.015768
"1717980"	313.117393	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+NH4+HCOOH"	64.039293
"1188802"	106.015251333333	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+3Na"	68.967654
"1656508"	318.072788	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Na+HCOOH"	68.994688
"163369"	575.07524	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+2K-H"	76.91904
"608396"	824.15334	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+2K-H"	76.91904
"1090724"	325.99714	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2K-H"	76.91904
"147540"	288.041258	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"2M+2K"	77.926316
"587101"	412.580308	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"3M+2K"	77.926316
"1071613"	163.502208	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2K"	77.926316
"1105915"	328.011692	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2K+H"	78.933592
"1337198"	328.099307	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+DMSO+H"	79.021207
"1010832"	332.138476	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2ACN+H"	83.060376
"1531143"	333.132108	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+IsoProp+Na+H"	84.054008
"990083"	166.572876	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+2ACN+2H"	84.067652
"1593198"	334.046728	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+K+HCOOH"	84.968628
"1421043"	364.078238	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+H+CF3COOH"	115.000138
"1158989"	187.086151	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+3ACN+2H"	125.094202
"1709634"	381.104785	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+NH4+CF3COOH"	132.026685
"1647106"	386.06018	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+Na+CF3COOH"	136.98208
"1580934"	402.03412	"C19290"	"Phenazopyridine hydrochloride"	"C11H11N5HCl"	"249.0781"	"M+K+CF3COOH"	152.95602
"808019"	150.0681	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M"	0
"983739"	131.04971	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"71983"	99.038124	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"515555"	149.060824	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"888255"	49.015424	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"3547"	149.060824	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"443107"	224.094874	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"819084"	74.026774	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"91477"	299.128924	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"529214"	449.197024	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"911033"	149.060824	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"61881"	316.155471	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"495488"	466.223571	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"868915"	166.087371	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"37909"	321.110866	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"478563"	471.178966	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"850896"	171.042766	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1622615"	171.042766	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"109237"	167.049163	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"544181"	242.083213	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"937696"	92.015113	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"272244"	335.105602	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"665395"	485.173702	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1281080"	185.037502	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"25825"	337.084806	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"463197"	487.152906	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"843182"	187.016706	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1562297"	187.016706	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"947993"	195.066294	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"365116"	345.134401	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"356655"	359.150051	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1504396"	209.081951	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"969750"	217.048251	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"114282"	185.037502	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"559315"	260.071552	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1035770"	110.003452	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1256444"	228.986985	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1317798"	231.042972	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1333106"	253.024929	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"926556"	263.053686	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1303059"	299.030364	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1381949"	115.055424	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1397624"	133.0654	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"298517"	301.143476	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"690949"	451.211576	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1361704"	151.075376	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"137871"	151.075376	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"581210"	226.109426	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1050249"	76.041326	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"216327"	101.052676	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"659779"	151.075376	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1169635"	51.029976	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"435096"	318.170023	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"797185"	468.238123	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1691328"	168.101923	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"342163"	159.5886495	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"733126"	234.6226995	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1486944"	84.5545995	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"399062"	323.125418	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"760059"	473.193518	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1609249"	173.057318	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"321472"	162.066347	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"712804"	237.100397	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1467714"	87.032297	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1059868"	58.35729	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1261550"	183.101586	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"379760"	339.099358	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"741122"	489.167458	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1542444"	189.031258	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"306911"	170.053317	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"701521"	245.087367	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1454246"	95.019267	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"242849"	342.170026	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1215558"	192.101926	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1204908"	96.554601	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"195594"	345.10736	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"635154"	495.17546	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1138660"	195.03926	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"181953"	173.057318	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"620426"	248.091368	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1127213"	98.023268	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1414145"	65.684604	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1440671"	197.080846	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"231461"	178.09034	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1514056"	211.13289	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"413743"	181.044288	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"774738"	256.078338	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1676537"	106.010238	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"255401"	364.151968	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1230296"	214.083868	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1719183"	214.107393	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1188912"	73.011918	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1657712"	219.062788	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"168947"	377.05524	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"612599"	527.12334	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1093021"	226.98714	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"144371"	189.031258	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"590492"	264.065308	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1073910"	113.997208	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1113679"	229.001692	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1343505"	229.089307	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1007782"	233.128476	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1531252"	234.122108	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"990776"	117.067876	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1595496"	235.036728	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1422249"	265.068238	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1160194"	137.581151	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1710838"	282.094785	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1647580"	287.05018	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1581044"	303.02412	"C19291"	"Phenyl glycidyl ether"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"807036"	377.8175	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M"	0
"983849"	358.79911	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-H2O-H"	-19.01839
"66626"	250.871057333333	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M-3H"	-3.021828
"513842"	376.810224	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M-3H"	-3.021828
"883991"	124.931890666667	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-3H"	-3.021828
"98"	376.810224	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M-2H"	-2.014552
"440023"	565.718974	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M-2H"	-2.014552
"817450"	187.901474	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-2H"	-2.014552
"87578"	754.627724	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M-H"	-1.007276
"524951"	1132.445224	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M-H"	-1.007276
"907857"	376.810224	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-H"	-1.007276
"52754"	771.654271	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M-2H+NH4"	16.019271
"493411"	1149.471771	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M-2H+NH4"	16.019271
"865745"	393.836771	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-2H+NH4"	16.019271
"35832"	776.609666	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M-2H+Na"	20.974666
"475391"	1154.427166	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M-2H+Na"	20.974666
"848896"	398.792166	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-2H+Na"	20.974666
"1619445"	398.792166	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Na-2H"	20.974666
"109105"	394.798563	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M-H+Cl"	33.962126
"541011"	583.707313	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M-H+Cl"	33.962126
"936712"	205.889813	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-H+Cl"	33.962126
"273083"	790.604402	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+Cl"	34.969402
"669877"	1168.421902	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+Cl"	34.969402
"1277909"	412.786902	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Cl"	34.969402
"25935"	792.583606	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M-2H+K"	36.948606
"466587"	1170.401106	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M-2H+K"	36.948606
"843293"	414.766106	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-2H+K"	36.948606
"1560220"	414.766106	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+K-2H"	36.948606
"948103"	422.815694	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-H+HCOOH"	44.998194
"365226"	800.633201	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+HCOOH-H"	44.998201
"356765"	814.648851	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+Hac-H"	59.013851
"1501224"	436.831351	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Hac-H"	59.013851
"968767"	444.797651	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-H+NaCOOH"	66.980151
"114392"	412.786902	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+2Cl"	69.938804
"559425"	601.695652	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+2Cl"	69.938804
"1034787"	223.878152	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2Cl"	69.938804
"1256554"	456.736385	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Br"	78.918885
"1316815"	458.792372	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Cl+HCOOH"	80.974872
"1335245"	480.774329	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Cl+NaCOOH"	102.956829
"925976"	490.803086	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M-H+CF3COOH"	112.985586
"1302442"	526.779764	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Cl+CF3COOH"	148.962264
"1381332"	342.804824	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H-2H2O"	-35.012676
"1395547"	360.8148	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H-H2O"	-17.0027
"297059"	756.642276	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+H"	1.007276
"690572"	1134.459776	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+H"	1.007276
"1363275"	378.824776	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H"	1.007276
"136890"	378.824776	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+2H"	2.014552
"581256"	567.733526	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+2H"	2.014552
"1052428"	189.916026	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2H"	2.014552
"219909"	252.885609333333	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+3H"	3.021828
"657820"	378.824776	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+3H"	3.021828
"1168651"	126.946442666667	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+3H"	3.021828
"429738"	773.668823	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+NH4"	18.033823
"792921"	1151.486323	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+NH4"	18.033823
"1690345"	395.851323	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+NH4"	18.033823
"338627"	387.3380495	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+H+NH4"	19.041099
"728862"	576.2467995	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+H+NH4"	19.041099
"1482681"	198.4292995	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H+NH4"	19.041099
"395529"	778.624218	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+Na"	22.989218
"759076"	1156.441718	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+Na"	22.989218
"1609359"	400.806718	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Na"	22.989218
"321582"	389.815747	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+H+Na"	23.996494
"712911"	578.724497	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+H+Na"	23.996494
"1466735"	200.906997	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H+Na"	23.996494
"1056699"	134.273756666667	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2H+Na"	25.00377
"1259473"	410.850986	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+CH3OH+H"	33.033486
"381326"	794.598158	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+K"	38.963158
"741233"	1172.415658	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+K"	38.963158
"1547658"	416.780658	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+K"	38.963158
"307021"	397.802717	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+H+K"	39.970434
"697257"	586.711467	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+H+K"	39.970434
"1449983"	208.893967	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H+K"	39.970434
"239679"	797.668826	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+ACN+H"	42.033826
"1222961"	419.851326	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+ACN+H"	42.033826
"1205748"	210.429301	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+ACN+2H"	43.041102
"195704"	800.60616	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+2Na-H"	44.97116
"638180"	1178.42366	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+2Na-H"	44.97116
"1140959"	422.78866	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2Na-H"	44.97116
"180971"	400.806718	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+2Na"	45.978436
"616528"	589.715468	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+2Na"	45.978436
"1125137"	211.897968	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2Na"	45.978436
"1413770"	141.601070666667	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H+2Na"	46.985712
"1440781"	424.830246	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H+HCOOH"	47.012746
"231936"	405.83974	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+3H2O+2H"	56.04448
"1516353"	438.88229	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+IsoProp+H"	61.06479
"414946"	408.793688	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+Na+K"	61.952376
"773755"	597.702438	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+Na+K"	61.952376
"1676647"	219.884938	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Na+K"	61.952376
"254418"	819.650768	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+ACN+Na"	64.015768
"1231500"	441.833268	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+ACN+Na"	64.015768
"1719293"	441.856793	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+NH4+HCOOH"	64.039293
"1186835"	148.928384666667	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+3Na"	68.967654
"1657822"	446.812188	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Na+HCOOH"	68.994688
"170152"	832.55404	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+2K-H"	76.91904
"610803"	1210.37154	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+2K-H"	76.91904
"1089852"	454.73654	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2K-H"	76.91904
"144481"	416.780658	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"2M+2K"	77.926316
"588416"	605.689408	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"3M+2K"	77.926316
"1074021"	227.871908	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2K"	77.926316
"1111604"	456.751092	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2K+H"	78.933592
"1342523"	456.838707	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+DMSO+H"	79.021207
"1012145"	460.877876	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2ACN+H"	83.060376
"1533550"	461.871508	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+IsoProp+Na+H"	84.054008
"990195"	230.942576	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+2ACN+2H"	84.067652
"1594510"	462.786128	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+K+HCOOH"	84.968628
"1423451"	492.817638	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+H+CF3COOH"	115.000138
"1159206"	251.455851	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+3ACN+2H"	125.094202
"1704385"	509.844185	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+NH4+CF3COOH"	132.026685
"1647690"	514.79958	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+Na+CF3COOH"	136.98208
"1581154"	530.77352	"C19292"	"Talc"	"Mg3Si4O10(OH)2"	"377.8175"	"M+K+CF3COOH"	152.95602
"808239"	494.0194	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M"	0
"983959"	475.00101	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-H2O-H"	-19.01839
"66736"	328.338990666667	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M-3H"	-3.021828
"508485"	493.012124	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M-3H"	-3.021828
"882643"	163.665857333333	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-3H"	-3.021828
"1333"	493.012124	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M-2H"	-2.014552
"442233"	740.021824	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M-2H"	-2.014552
"818212"	246.002424	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-2H"	-2.014552
"87688"	987.031524	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M-H"	-1.007276
"525061"	1481.050924	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M-H"	-1.007276
"908696"	493.012124	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-H"	-1.007276
"52864"	1004.058071	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M-2H+NH4"	16.019271
"493521"	1498.077471	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M-2H+NH4"	16.019271
"869499"	510.038671	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-2H+NH4"	16.019271
"36306"	1009.013466	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M-2H+Na"	20.974666
"474408"	1503.032866	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M-2H+Na"	20.974666
"853303"	514.994066	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-2H+Na"	20.974666
"1621741"	514.994066	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Na-2H"	20.974666
"108364"	511.000463	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M-H+Cl"	33.962126
"541121"	758.010163	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M-H+Cl"	33.962126
"939009"	263.990763	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-H+Cl"	33.962126
"276474"	1023.008202	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+Cl"	34.969402
"668894"	1517.027602	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+Cl"	34.969402
"1275467"	528.988802	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Cl"	34.969402
"22764"	1024.987406	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M-2H+K"	36.948606
"462324"	1519.006806	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M-2H+K"	36.948606
"835750"	530.968006	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-2H+K"	36.948606
"1557415"	530.968006	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+K-2H"	36.948606
"946027"	539.017594	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-H+HCOOH"	44.998194
"364242"	1033.037001	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+HCOOH-H"	44.998201
"351408"	1047.052651	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+Hac-H"	59.013851
"1500240"	553.033251	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Hac-H"	59.013851
"963408"	560.999551	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-H+NaCOOH"	66.980151
"114501"	528.988802	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+2Cl"	69.938804
"560627"	775.998502	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+2Cl"	69.938804
"1034533"	281.979102	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2Cl"	69.938804
"1255814"	572.938285	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Br"	78.918885
"1319114"	574.994272	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Cl+HCOOH"	80.974872
"1332233"	596.976229	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Cl+NaCOOH"	102.956829
"926088"	607.004986	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M-H+CF3COOH"	112.985586
"1302919"	642.981664	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Cl+CF3COOH"	148.962264
"1381807"	459.006724	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H-2H2O"	-35.012676
"1395657"	477.0167	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H-H2O"	-17.0027
"296804"	989.046076	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+H"	1.007276
"690443"	1483.065476	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+H"	1.007276
"1366300"	495.026676	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H"	1.007276
"138093"	495.026676	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+2H"	2.014552
"578751"	742.036376	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+2H"	2.014552
"1052052"	248.016976	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2H"	2.014552
"219383"	330.353542666667	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+3H"	3.021828
"655014"	495.026676	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+3H"	3.021828
"1173138"	165.680409333333	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+3H"	3.021828
"432037"	1006.072623	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+NH4"	18.033823
"790846"	1500.092023	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+NH4"	18.033823
"1689364"	512.053223	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+NH4"	18.033823
"333999"	503.5399495	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+H+NH4"	19.041099
"728607"	750.5496495	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+H+NH4"	19.041099
"1483155"	256.5302495	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H+NH4"	19.041099
"396732"	1011.028018	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+Na"	22.989218
"758093"	1505.047418	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+Na"	22.989218
"1610562"	517.008618	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Na"	22.989218
"324972"	506.017647	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+H+Na"	23.996494
"716301"	753.027347	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+H+Na"	23.996494
"1472308"	259.007947	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H+Na"	23.996494
"1058997"	173.007723333333	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2H+Na"	25.00377
"1265050"	527.052886	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+CH3OH+H"	33.033486
"383625"	1027.001958	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+K"	38.963158
"742434"	1521.021358	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+K"	38.963158
"1549955"	532.982558	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+K"	38.963158
"304946"	514.004617	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+H+K"	39.970434
"699553"	761.014317	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+H+K"	39.970434
"1451187"	266.994917	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H+K"	39.970434
"240884"	1030.072626	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+ACN+H"	42.033826
"1221247"	536.053226	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+ACN+H"	42.033826
"1201851"	268.530251	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+ACN+2H"	43.041102
"198731"	1033.00996	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+2Na-H"	44.97116
"638656"	1527.02936	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+2Na-H"	44.97116
"1139975"	538.99056	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2Na-H"	44.97116
"181081"	517.008618	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+2Na"	45.978436
"621740"	764.018318	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+2Na"	45.978436
"1121965"	269.998918	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2Na"	45.978436
"1404397"	180.335037333333	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H+2Na"	46.985712
"1442353"	541.032146	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H+HCOOH"	47.012746
"227307"	522.04164	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+3H2O+2H"	56.04448
"1517555"	555.08419	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+IsoProp+H"	61.06479
"412870"	524.995588	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+Na+K"	61.952376
"777146"	772.005288	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+Na+K"	61.952376
"1673476"	277.985888	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Na+K"	61.952376
"262912"	1052.054568	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+ACN+Na"	64.015768
"1230517"	558.035168	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+ACN+Na"	64.015768
"1720498"	558.058693	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+NH4+HCOOH"	64.039293
"1185851"	187.662351333333	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+3Na"	68.967654
"1654650"	563.014088	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Na+HCOOH"	68.994688
"168804"	1064.95784	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+2K-H"	76.91904
"608364"	1558.97724	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+2K-H"	76.91904
"1091053"	570.93844	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2K-H"	76.91904
"143498"	532.982558	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"2M+2K"	77.926316
"585246"	779.992258	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"3M+2K"	77.926316
"1075225"	285.972858	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2K"	77.926316
"1107342"	572.952992	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2K+H"	78.933592
"1337165"	573.040607	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+DMSO+H"	79.021207
"1012254"	577.079776	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2ACN+H"	83.060376
"1532566"	578.073408	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+IsoProp+Na+H"	84.054008
"991362"	289.043526	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+2ACN+2H"	84.067652
"1595713"	578.988028	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+K+HCOOH"	84.968628
"1425748"	609.019538	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+H+CF3COOH"	115.000138
"1156035"	309.556801	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+3ACN+2H"	125.094202
"1705588"	626.046085	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+NH4+CF3COOH"	132.026685
"1647800"	631.00148	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+Na+CF3COOH"	136.98208
"1581264"	646.97542	"C19293"	"Ponceau 3R"	"C19H16N2O7S22Na"	"494.0194"	"M+K+CF3COOH"	152.95602
"816697"	480.0038	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M"	0
"989585"	460.98541	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-H2O-H"	-19.01839
"74502"	318.995257333333	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M-3H"	-3.021828
"516980"	478.996524	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M-3H"	-3.021828
"889678"	158.993990666667	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-3H"	-3.021828
"2784"	478.996524	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H"	-2.014552
"445625"	718.998424	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H"	-2.014552
"820147"	238.994624	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-2H"	-2.014552
"93635"	959.000324	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M-H"	-1.007276
"530641"	1439.004124	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M-H"	-1.007276
"908441"	478.996524	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-H"	-1.007276
"52974"	976.026871	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H+NH4"	16.019271
"495819"	1456.030671	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H+NH4"	16.019271
"867788"	496.023071	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-2H+NH4"	16.019271
"39334"	980.982266	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H+Na"	20.974666
"478894"	1460.986066	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H+Na"	20.974666
"851591"	500.978466	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-2H+Na"	20.974666
"1619666"	500.978466	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Na-2H"	20.974666
"107865"	496.984863	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M-H+Cl"	33.962126
"543417"	736.986763	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M-H+Cl"	33.962126
"935840"	256.982963	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-H+Cl"	33.962126
"268565"	994.977002	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+Cl"	34.969402
"662446"	1474.980802	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+Cl"	34.969402
"1277036"	514.973202	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl"	34.969402
"21780"	996.956206	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H+K"	36.948606
"468996"	1476.960006	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H+K"	36.948606
"841327"	516.952406	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-2H+K"	36.948606
"1558255"	516.952406	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+K-2H"	36.948606
"948324"	525.001994	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-H+HCOOH"	44.998194
"364353"	1005.005801	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+HCOOH-H"	44.998201
"351518"	1019.021451	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+Hac-H"	59.013851
"1504726"	539.017651	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Hac-H"	59.013851
"966799"	546.983951	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-H+NaCOOH"	66.980151
"116798"	514.973202	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+2Cl"	69.938804
"560737"	754.975102	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+2Cl"	69.938804
"1034279"	274.971302	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2Cl"	69.938804
"1255560"	558.922685	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Br"	78.918885
"1317403"	560.978672	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl+HCOOH"	80.974872
"1333684"	582.960629	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl+NaCOOH"	102.956829
"924504"	592.989386	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M-H+CF3COOH"	112.985586
"1302180"	628.966064	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl+CF3COOH"	148.962264
"1381677"	444.991124	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H-2H2O"	-35.012676
"1397227"	463.0011	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H-H2O"	-17.0027
"297642"	961.014876	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+H"	1.007276
"689700"	1441.018676	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+H"	1.007276
"1366417"	481.011076	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H"	1.007276
"140389"	481.011076	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+2H"	2.014552
"576672"	721.012976	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+2H"	2.014552
"1045471"	241.009176	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2H"	2.014552
"214467"	321.009809333333	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+3H"	3.021828
"658407"	481.011076	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+3H"	3.021828
"1171061"	161.008542666667	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+3H"	3.021828
"431054"	978.041423	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+NH4"	18.033823
"794236"	1458.045223	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+NH4"	18.033823
"1689474"	498.037623	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+NH4"	18.033823
"334107"	489.5243495	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+H+NH4"	19.041099
"730174"	729.5262495	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+H+NH4"	19.041099
"1482903"	249.5224495	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H+NH4"	19.041099
"397206"	982.996818	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+Na"	22.989218
"759294"	1463.000618	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+Na"	22.989218
"1609581"	502.993018	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Na"	22.989218
"320344"	492.002047	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+H+Na"	23.996494
"715319"	732.003947	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+H+Na"	23.996494
"1469140"	252.000147	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H+Na"	23.996494
"1059107"	168.335856666667	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2H+Na"	25.00377
"1265161"	513.037286	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+CH3OH+H"	33.033486
"385923"	998.970758	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+K"	38.963158
"744731"	1478.974558	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+K"	38.963158
"1550065"	518.966958	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+K"	38.963158
"310523"	499.989017	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+H+K"	39.970434
"699663"	739.990917	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+H+K"	39.970434
"1452392"	259.987117	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H+K"	39.970434
"245368"	1002.041426	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+ACN+H"	42.033826
"1220263"	522.037626	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+ACN+H"	42.033826
"1203055"	261.522451	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+ACN+2H"	43.041102
"197748"	1004.97876	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+2Na-H"	44.97116
"640953"	1484.98256	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+2Na-H"	44.97116
"1143366"	524.97496	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2Na-H"	44.97116
"184467"	502.993018	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+2Na"	45.978436
"625486"	742.994918	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+2Na"	45.978436
"1123168"	262.991118	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2Na"	45.978436
"1409974"	175.663170666667	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H+2Na"	46.985712
"1441733"	527.016546	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H+HCOOH"	47.012746
"227419"	508.02604	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+3H2O+2H"	56.04448
"1520584"	541.06859	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+IsoProp+H"	61.06479
"416260"	510.979988	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+Na+K"	61.952376
"777256"	750.981888	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+Na+K"	61.952376
"1674680"	270.978088	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Na+K"	61.952376
"259744"	1024.023368	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+ACN+Na"	64.015768
"1235002"	544.019568	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+ACN+Na"	64.015768
"1719515"	544.043093	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+NH4+HCOOH"	64.039293
"1184869"	182.990484666667	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+3Na"	68.967654
"1658042"	548.998488	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Na+HCOOH"	68.994688
"163811"	1036.92664	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+2K-H"	76.91904
"602277"	1516.93044	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+2K-H"	76.91904
"1093350"	556.92284	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2K-H"	76.91904
"146886"	518.966958	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"2M+2K"	77.926316
"590821"	758.968858	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"3M+2K"	77.926316
"1077520"	278.965058	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2K"	77.926316
"1109636"	558.937392	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2K+H"	78.933592
"1342744"	559.025007	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+DMSO+H"	79.021207
"1012368"	563.064176	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2ACN+H"	83.060376
"1533774"	564.057808	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+IsoProp+Na+H"	84.054008
"990620"	282.035726	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+2ACN+2H"	84.067652
"1592541"	564.972428	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+K+HCOOH"	84.968628
"1421483"	595.003938	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+H+CF3COOH"	115.000138
"1155053"	302.549001	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+3ACN+2H"	125.094202
"1704605"	612.030485	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+NH4+CF3COOH"	132.026685
"1635881"	616.98588	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+Na+CF3COOH"	136.98208
"1581374"	632.95982	"C19294"	"Ponceau MX;Acid Red 26"	"C18H14N2O7S22Na"	"480.0038"	"M+K+CF3COOH"	152.95602
"808459"	165.8668	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M"	0
"989286"	146.84841	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-H2O-H"	-19.01839
"74613"	109.570590666667	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M-3H"	-3.021828
"515269"	164.859524	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M-3H"	-3.021828
"893069"	54.2816573333333	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-3H"	-3.021828
"14197"	164.859524	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M-2H"	-2.014552
"447925"	247.792924	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M-2H"	-2.014552
"821352"	81.926124	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-2H"	-2.014552
"94268"	330.726324	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M-H"	-1.007276
"525281"	496.593124	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M-H"	-1.007276
"908188"	164.859524	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-H"	-1.007276
"53084"	347.752871	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M-2H+NH4"	16.019271
"497022"	513.619671	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M-2H+NH4"	16.019271
"870449"	181.886071	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-2H+NH4"	16.019271
"44912"	352.708266	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M-2H+Na"	20.974666
"476088"	518.575066	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M-2H+Na"	20.974666
"858993"	186.841466	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-2H+Na"	20.974666
"1625244"	186.841466	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Na-2H"	20.974666
"108340"	182.847863	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M-H+Cl"	33.962126
"541341"	265.781263	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M-H+Cl"	33.962126
"934856"	99.914463	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-H+Cl"	33.962126
"271228"	366.703002	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+Cl"	34.969402
"666929"	532.569802	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+Cl"	34.969402
"1280428"	200.836202	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Cl"	34.969402
"26265"	368.682206	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M-2H+K"	36.948606
"463641"	534.549006	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M-2H+K"	36.948606
"841438"	202.815406	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-2H+K"	36.948606
"1567112"	202.815406	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+K-2H"	36.948606
"954997"	210.864994	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-H+HCOOH"	44.998194
"372119"	376.731801	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+HCOOH-H"	44.998201
"357095"	390.747451	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+Hac-H"	59.013851
"1507025"	224.880651	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Hac-H"	59.013851
"972380"	232.846951	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-H+NaCOOH"	66.980151
"114723"	200.836202	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+2Cl"	69.938804
"564372"	283.769602	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+2Cl"	69.938804
"1034753"	117.902802	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2Cl"	69.938804
"1255427"	244.785685	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Br"	78.918885
"1319214"	246.841672	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Cl+HCOOH"	80.974872
"1333188"	268.823629	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Cl+NaCOOH"	102.956829
"924611"	278.852386	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M-H+CF3COOH"	112.985586
"1303139"	314.829064	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Cl+CF3COOH"	148.962264
"1380571"	130.854124	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H-2H2O"	-35.012676
"1397339"	148.8641	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H-H2O"	-17.0027
"297394"	332.740876	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+H"	1.007276
"689815"	498.607676	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+H"	1.007276
"1367030"	166.874076	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H"	1.007276
"141328"	166.874076	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+2H"	2.014552
"577876"	249.807476	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+2H"	2.014552
"1051055"	83.940676	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2H"	2.014552
"219322"	111.585142666667	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+3H"	3.021828
"659371"	166.874076	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+3H"	3.021828
"1172264"	56.2962093333333	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+3H"	3.021828
"434444"	349.767423	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+NH4"	18.033823
"798358"	515.634223	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+NH4"	18.033823
"1691771"	183.900623	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+NH4"	18.033823
"337134"	175.3873495	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+H+NH4"	19.041099
"733563"	258.3207495	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+H+NH4"	19.041099
"1486293"	92.4539495	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H+NH4"	19.041099
"398411"	354.722818	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+Na"	22.989218
"757945"	520.589618	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+Na"	22.989218
"1612970"	188.856018	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Na"	22.989218
"325194"	177.865047	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+H+Na"	23.996494
"717616"	260.798447	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+H+Na"	23.996494
"1473625"	94.931647	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H+Na"	23.996494
"1060310"	63.6235233333333	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2H+Na"	25.00377
"1264177"	198.900286	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+CH3OH+H"	33.033486
"388219"	370.696758	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+K"	38.963158
"745934"	536.563558	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+K"	38.963158
"1547987"	204.829958	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+K"	38.963158
"307351"	185.852017	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+H+K"	39.970434
"699771"	268.785417	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+H+K"	39.970434
"1456871"	102.918617	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H+K"	39.970434
"246568"	373.767426	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+ACN+H"	42.033826
"1221466"	207.900626	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+ACN+H"	42.033826
"1209859"	104.453951	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+ACN+2H"	43.041102
"203453"	376.70476	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+2Na-H"	44.97116
"640701"	542.57156	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+2Na-H"	44.97116
"1144208"	210.83796	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2Na-H"	44.97116
"185676"	188.856018	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+2Na"	45.978436
"621589"	271.789418	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+2Na"	45.978436
"1123278"	105.922618	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2Na"	45.978436
"1410085"	70.9508373333333	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H+2Na"	46.985712
"1445484"	212.879546	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H+HCOOH"	47.012746
"235350"	193.88904	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+3H2O+2H"	56.04448
"1515590"	226.93159	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+IsoProp+H"	61.06479
"414183"	196.842988	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+Na+K"	61.952376
"781739"	279.776388	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+Na+K"	61.952376
"1676977"	113.909588	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Na+K"	61.952376
"262405"	395.749368	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+ACN+Na"	64.015768
"1237300"	229.882568	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+ACN+Na"	64.015768
"1722907"	229.906093	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+NH4+HCOOH"	64.039293
"1188260"	78.2781513333333	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+3Na"	68.967654
"1659247"	234.861488	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Na+HCOOH"	68.994688
"161735"	408.65264	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+2K-H"	76.91904
"601296"	574.51944	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+2K-H"	76.91904
"1089088"	242.78584	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2K-H"	76.91904
"142989"	204.829958	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"2M+2K"	77.926316
"585467"	287.763358	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"3M+2K"	77.926316
"1069980"	121.896558	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2K"	77.926316
"1102094"	244.800392	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2K+H"	78.933592
"1340667"	244.888007	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+DMSO+H"	79.021207
"1012474"	248.927176	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2ACN+H"	83.060376
"1527323"	249.920808	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+IsoProp+Na+H"	84.054008
"997054"	124.967226	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+2ACN+2H"	84.067652
"1594841"	250.835428	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+K+HCOOH"	84.968628
"1422689"	280.866938	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+H+CF3COOH"	115.000138
"1156258"	145.480501	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+3ACN+2H"	125.094202
"1705809"	297.893485	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+NH4+CF3COOH"	132.026685
"1646927"	302.84888	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+Na+CF3COOH"	136.98208
"1581484"	318.82282	"C19295"	"Potassium bromate"	"KBrO3"	"165.8668"	"M+K+CF3COOH"	152.95602
"808569"	122.0038	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M"	0
"987570"	102.98541	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-H2O-H"	-19.01839
"78004"	80.3285906666667	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M-3H"	-3.021828
"512099"	120.996524	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M-3H"	-3.021828
"889899"	39.6606573333333	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-3H"	-3.021828
"14794"	120.996524	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M-2H"	-2.014552
"449128"	181.998424	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M-2H"	-2.014552
"822555"	59.994624	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-2H"	-2.014552
"94096"	243.000324	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M-H"	-1.007276
"525391"	365.004124	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M-H"	-1.007276
"907569"	120.996524	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-H"	-1.007276
"55381"	260.026871	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M-2H+NH4"	16.019271
"496039"	382.030671	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M-2H+NH4"	16.019271
"867280"	138.023071	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-2H+NH4"	16.019271
"44901"	264.982266	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M-2H+Na"	20.974666
"479114"	386.986066	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M-2H+Na"	20.974666
"860196"	142.978466	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-2H+Na"	20.974666
"1625354"	142.978466	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Na-2H"	20.974666
"108085"	138.984863	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M-H+Cl"	33.962126
"541450"	199.986763	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M-H+Cl"	33.962126
"931685"	77.982963	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-H+Cl"	33.962126
"271338"	278.977002	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+Cl"	34.969402
"667038"	400.980802	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+Cl"	34.969402
"1278351"	156.973202	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Cl"	34.969402
"24188"	280.956206	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M-2H+K"	36.948606
"465937"	402.960006	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M-2H+K"	36.948606
"841548"	158.952406	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-2H+K"	36.948606
"1567222"	158.952406	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+K-2H"	36.948606
"955106"	167.001994	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-H+HCOOH"	44.998194
"371136"	289.005801	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+HCOOH-H"	44.998201
"357205"	303.021451	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+Hac-H"	59.013851
"1504946"	181.017651	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Hac-H"	59.013851
"968115"	188.983951	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-H+NaCOOH"	66.980151
"115926"	156.973202	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+2Cl"	69.938804
"564603"	217.975102	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+2Cl"	69.938804
"1034864"	95.971302	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2Cl"	69.938804
"1255539"	200.922685	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Br"	78.918885
"1319081"	202.978672	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Cl+HCOOH"	80.974872
"1332205"	224.960629	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Cl+NaCOOH"	102.956829
"924357"	234.989386	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M-H+CF3COOH"	112.985586
"1302520"	270.966064	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Cl+CF3COOH"	148.962264
"1380319"	86.991124	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H-2H2O"	-35.012676
"1395990"	105.0011	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H-H2O"	-17.0027
"296410"	245.014876	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+H"	1.007276
"689923"	367.018676	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+H"	1.007276
"1365546"	123.011076	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H"	1.007276
"140865"	123.011076	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+2H"	2.014552
"580052"	184.012976	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+2H"	2.014552
"1051895"	62.009176	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2H"	2.014552
"218340"	82.3431426666667	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+3H"	3.021828
"657538"	123.011076	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+3H"	3.021828
"1171281"	41.6752093333333	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+3H"	3.021828
"433463"	262.041423	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+NH4"	18.033823
"797739"	384.045223	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+NH4"	18.033823
"1692974"	140.037623	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+NH4"	18.033823
"336877"	131.5243495	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+H+NH4"	19.041099
"730757"	192.5262495	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+H+NH4"	19.041099
"1485307"	70.5224495	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H+NH4"	19.041099
"398522"	266.996818	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+Na"	22.989218
"759878"	389.000618	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+Na"	22.989218
"1610895"	144.993018	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Na"	22.989218
"322023"	134.002047	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+H+Na"	23.996494
"715539"	195.003947	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+H+Na"	23.996494
"1471550"	73.000147	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H+Na"	23.996494
"1058234"	49.0025233333333	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2H+Na"	25.00377
"1262100"	155.037286	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+CH3OH+H"	33.033486
"385049"	282.970758	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+K"	38.963158
"746044"	404.974558	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+K"	38.963158
"1547004"	160.966958	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+K"	38.963158
"306366"	141.989017	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+H+K"	39.970434
"698788"	202.990917	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+H+K"	39.970434
"1452612"	80.987117	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H+K"	39.970434
"244494"	286.041426	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+ACN+H"	42.033826
"1219389"	164.037626	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+ACN+H"	42.033826
"1209773"	82.522451	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+ACN+2H"	43.041102
"203563"	288.97876	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+2Na-H"	44.97116
"643611"	410.98256	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+2Na-H"	44.97116
"1145046"	166.97496	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2Na-H"	44.97116
"185786"	144.993018	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+2Na"	45.978436
"620968"	205.994918	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+2Na"	45.978436
"1120834"	83.991118	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2Na"	45.978436
"1410196"	56.3298373333333	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H+2Na"	46.985712
"1444381"	169.016546	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H+HCOOH"	47.012746
"234573"	150.02604	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+3H2O+2H"	56.04448
"1515701"	183.06859	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+IsoProp+H"	61.06479
"418668"	152.979988	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+Na+K"	61.952376
"781849"	213.981888	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+Na+K"	61.952376
"1671618"	91.978088	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Na+K"	61.952376
"260329"	308.023368	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+ACN+Na"	64.015768
"1235224"	186.019568	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+ACN+Na"	64.015768
"1720831"	186.043093	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+NH4+HCOOH"	64.039293
"1186184"	63.6571513333333	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+3Na"	68.967654
"1657171"	190.998488	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Na+HCOOH"	68.994688
"160022"	320.92664	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+2K-H"	76.91904
"601406"	442.93044	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+2K-H"	76.91904
"1088469"	198.92284	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2K-H"	76.91904
"143828"	160.966958	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"2M+2K"	77.926316
"583390"	221.968858	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"3M+2K"	77.926316
"1070089"	99.965058	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2K"	77.926316
"1107673"	200.937392	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2K+H"	78.933592
"1340777"	201.025007	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+DMSO+H"	79.021207
"1013677"	205.064176	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2ACN+H"	83.060376
"1531806"	206.057808	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+IsoProp+Na+H"	84.054008
"997164"	103.035726	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+2ACN+2H"	84.067652
"1594951"	206.972428	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+K+HCOOH"	84.968628
"1421707"	237.003938	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+H+CF3COOH"	115.000138
"1156369"	123.549001	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+3ACN+2H"	125.094202
"1705919"	254.030485	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+NH4+CF3COOH"	132.026685
"1647037"	258.98588	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+Na+CF3COOH"	136.98208
"1581594"	274.95982	"C19296"	"13-Propane sultone"	"C3H6O3S"	"122.0038"	"M+K+CF3COOH"	152.95602
"815971"	72.0211	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M"	0
"988775"	53.00271	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-H2O-H"	-19.01839
"77993"	47.0067906666667	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M-3H"	-3.021828
"512209"	71.013824	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M-3H"	-3.021828
"893289"	22.9997573333333	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-3H"	-3.021828
"14662"	71.013824	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M-2H"	-2.014552
"454343"	107.024374	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M-2H"	-2.014552
"830687"	35.003274	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-2H"	-2.014552
"93965"	143.034924	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M-H"	-1.007276
"525501"	215.056024	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M-H"	-1.007276
"908772"	71.013824	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-H"	-1.007276
"55491"	160.061471	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M-2H+NH4"	16.019271
"496150"	232.082571	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M-2H+NH4"	16.019271
"868118"	88.040371	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-2H+NH4"	16.019271
"41852"	165.016866	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M-2H+Na"	20.974666
"475943"	237.037966	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M-2H+Na"	20.974666
"853746"	92.995766	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-2H+Na"	20.974666
"1624737"	92.995766	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Na-2H"	20.974666
"107467"	89.002163	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M-H+Cl"	33.962126
"534675"	125.012713	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M-H+Cl"	33.962126
"930703"	52.991613	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-H+Cl"	33.962126
"271448"	179.011602	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+Cl"	34.969402
"674438"	251.032702	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+Cl"	34.969402
"1279556"	106.990502	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Cl"	34.969402
"29402"	180.990806	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M-2H+K"	36.948606
"461674"	253.011906	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M-2H+K"	36.948606
"841657"	108.969706	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-2H+K"	36.948606
"1569886"	108.969706	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+K-2H"	36.948606
"955946"	117.019294	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-H+HCOOH"	44.998194
"373433"	189.040401	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+HCOOH-H"	44.998201
"357315"	203.056051	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+Hac-H"	59.013851
"1507811"	131.034951	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Hac-H"	59.013851
"972234"	139.001251	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-H+NaCOOH"	66.980151
"118222"	106.990502	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+2Cl"	69.938804
"564715"	143.001052	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+2Cl"	69.938804
"1035341"	70.979952	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2Cl"	69.938804
"1254918"	150.939985	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Br"	78.918885
"1316277"	152.995972	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Cl+HCOOH"	80.974872
"1334137"	174.977929	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Cl+NaCOOH"	102.956829
"924832"	185.006686	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M-H+CF3COOH"	112.985586
"1301539"	220.983364	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Cl+CF3COOH"	148.962264
"1381039"	37.008424	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H-2H2O"	-35.012676
"1397438"	55.0184	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H-H2O"	-17.0027
"295791"	145.049476	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+H"	1.007276
"689307"	217.070576	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+H"	1.007276
"1365292"	73.028376	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H"	1.007276
"140850"	73.028376	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+2H"	2.014552
"580775"	109.038926	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+2H"	2.014552
"1052128"	37.017826	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2H"	2.014552
"216986"	49.0213426666667	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+3H"	3.021828
"653265"	73.028376	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+3H"	3.021828
"1171395"	25.0143093333333	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+3H"	3.021828
"435395"	162.076023	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+NH4"	18.033823
"794567"	234.097123	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+NH4"	18.033823
"1691991"	90.054923	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+NH4"	18.033823
"338083"	81.5416495	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+H+NH4"	19.041099
"731597"	117.5521995	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+H+NH4"	19.041099
"1486511"	45.5310995	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H+NH4"	19.041099
"401912"	167.031418	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+Na"	22.989218
"759258"	239.052518	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+Na"	22.989218
"1609910"	95.010318	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Na"	22.989218
"317759"	84.019347	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+H+Na"	23.996494
"714556"	120.029897	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+H+Na"	23.996494
"1467287"	48.008797	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H+Na"	23.996494
"1057251"	32.3416233333333	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2H+Na"	25.00377
"1264397"	105.054586	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+CH3OH+H"	33.033486
"384066"	183.005358	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+K"	38.963158
"743968"	255.026458	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+K"	38.963158
"1554405"	110.984258	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+K"	38.963158
"306477"	92.006317	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+H+K"	39.970434
"703275"	128.016867	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+H+K"	39.970434
"1459283"	55.995767	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H+K"	39.970434
"244604"	186.076026	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+ACN+H"	42.033826
"1218406"	114.054926	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+ACN+H"	42.033826
"1209466"	57.531101	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+ACN+2H"	43.041102
"204130"	189.01336	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+2Na-H"	44.97116
"644133"	261.03446	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+2Na-H"	44.97116
"1145039"	116.99226	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2Na-H"	44.97116
"187358"	95.010318	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+2Na"	45.978436
"625337"	131.020868	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+2Na"	45.978436
"1120944"	58.999768	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2Na"	45.978436
"1409210"	39.6689373333333	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H+2Na"	46.985712
"1444858"	119.033846	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H+HCOOH"	47.012746
"233224"	100.04334	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+3H2O+2H"	56.04448
"1517998"	133.08589	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+IsoProp+H"	61.06479
"419872"	102.997288	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+Na+K"	61.952376
"782327"	139.007838	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+Na+K"	61.952376
"1675008"	66.986738	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Na+K"	61.952376
"258255"	208.057968	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+ACN+Na"	64.015768
"1233150"	136.036868	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+ACN+Na"	64.015768
"1718754"	136.060393	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+NH4+HCOOH"	64.039293
"1185563"	46.9962513333333	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+3Na"	68.967654
"1657281"	141.015788	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Na+HCOOH"	68.994688
"160863"	220.96124	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+2K-H"	76.91904
"606619"	292.98234	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+2K-H"	76.91904
"1091497"	148.94014	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2K-H"	76.91904
"142846"	110.984258	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"2M+2K"	77.926316
"586782"	146.994808	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"3M+2K"	77.926316
"1071294"	74.973708	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2K"	77.926316
"1109606"	150.954692	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2K+H"	78.933592
"1341981"	151.042307	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+DMSO+H"	79.021207
"1011602"	155.081476	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2ACN+H"	83.060376
"1528635"	156.075108	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+IsoProp+Na+H"	84.054008
"996181"	78.044376	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+2ACN+2H"	84.067652
"1593963"	156.989728	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+K+HCOOH"	84.968628
"1419629"	187.021238	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+H+CF3COOH"	115.000138
"1156479"	98.557651	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+3ACN+2H"	125.094202
"1706029"	204.047785	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+NH4+CF3COOH"	132.026685
"1647147"	209.00318	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+Na+CF3COOH"	136.98208
"1581704"	224.97712	"C19297"	"Propiolactone;beta-Propiolactone"	"C3H4O2"	"72.0211"	"M+K+CF3COOH"	152.95602
"816784"	192.0551	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M"	0
"985602"	173.03671	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-H2O-H"	-19.01839
"74942"	127.029457333333	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M-3H"	-3.021828
"512315"	191.047824	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M-3H"	-3.021828
"890119"	63.0110906666667	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-3H"	-3.021828
"14164"	191.047824	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M-2H"	-2.014552
"454453"	287.075374	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M-2H"	-2.014552
"829338"	95.020274	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-2H"	-2.014552
"88238"	383.102924	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M-H"	-1.007276
"528891"	575.158024	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M-H"	-1.007276
"908639"	191.047824	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-H"	-1.007276
"52685"	400.129471	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M-2H+NH4"	16.019271
"492980"	592.184571	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M-2H+NH4"	16.019271
"868228"	208.074371	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-2H+NH4"	16.019271
"41962"	405.084866	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M-2H+Na"	20.974666
"474595"	597.139966	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M-2H+Na"	20.974666
"852396"	213.029766	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-2H+Na"	20.974666
"1624847"	213.029766	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Na-2H"	20.974666
"104296"	209.036163	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M-H+Cl"	33.962126
"536203"	305.063713	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M-H+Cl"	33.962126
"928260"	113.008613	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-H+Cl"	33.962126
"268638"	419.079602	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+Cl"	34.969402
"669445"	611.134702	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+Cl"	34.969402
"1279666"	227.024502	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Cl"	34.969402
"29391"	421.058806	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M-2H+K"	36.948606
"467980"	613.113906	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M-2H+K"	36.948606
"841767"	229.003706	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-2H+K"	36.948606
"1569996"	229.003706	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+K-2H"	36.948606
"955327"	237.053294	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-H+HCOOH"	44.998194
"374636"	429.108401	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+HCOOH-H"	44.998201
"354145"	443.124051	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+Hac-H"	59.013851
"1505165"	251.068951	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Hac-H"	59.013851
"969428"	259.035251	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-H+NaCOOH"	66.980151
"115053"	227.024502	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+2Cl"	69.938804
"564582"	323.052052	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+2Cl"	69.938804
"1035085"	130.996952	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2Cl"	69.938804
"1254664"	270.973985	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Br"	78.918885
"1318692"	273.029972	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Cl+HCOOH"	80.974872
"1335549"	295.011929	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Cl+NaCOOH"	102.956829
"926277"	305.040686	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M-H+CF3COOH"	112.985586
"1302742"	341.017364	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Cl+CF3COOH"	148.962264
"1381270"	157.042424	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H-2H2O"	-35.012676
"1397792"	175.0524	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H-H2O"	-17.0027
"296629"	385.117476	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+H"	1.007276
"688323"	577.172576	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+H"	1.007276
"1366496"	193.062376	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H"	1.007276
"141082"	193.062376	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+2H"	2.014552
"580151"	289.089926	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+2H"	2.014552
"1051997"	97.034826	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2H"	2.014552
"218189"	129.044009333333	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+3H"	3.021828
"653375"	193.062376	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+3H"	3.021828
"1176611"	65.0256426666667	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+3H"	3.021828
"438056"	402.144023	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+NH4"	18.033823
"795771"	594.199123	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+NH4"	18.033823
"1693195"	210.088923	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+NH4"	18.033823
"336007"	201.5756495	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+H+NH4"	19.041099
"731708"	297.6031995	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+H+NH4"	19.041099
"1485527"	105.5480995	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H+NH4"	19.041099
"402020"	407.099418	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+Na"	22.989218
"759735"	599.154518	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+Na"	22.989218
"1608927"	215.044318	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Na"	22.989218
"320056"	204.053347	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+H+Na"	23.996494
"713573"	300.080897	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+H+Na"	23.996494
"1469582"	108.025797	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H+Na"	23.996494
"1058454"	72.3529566666667	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2H+Na"	25.00377
"1264507"	225.088586	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+CH3OH+H"	33.033486
"385269"	423.073358	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+K"	38.963158
"746264"	615.128458	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+K"	38.963158
"1552692"	231.018258	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+K"	38.963158
"307680"	212.040317	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+H+K"	39.970434
"700106"	308.067867	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+H+K"	39.970434
"1457936"	116.012767	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H+K"	39.970434
"243621"	426.144026	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+ACN+H"	42.033826
"1219610"	234.088926	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+ACN+H"	42.033826
"1207507"	117.548101	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+ACN+2H"	43.041102
"203791"	429.08136	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+2Na-H"	44.97116
"642979"	621.13646	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+2Na-H"	44.97116
"1143811"	237.02626	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2Na-H"	44.97116
"187346"	215.044318	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+2Na"	45.978436
"625690"	311.071868	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+2Na"	45.978436
"1119960"	119.016768	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2Na"	45.978436
"1408227"	79.6802706666667	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H+2Na"	46.985712
"1445213"	239.067846	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H+HCOOH"	47.012746
"235155"	220.07734	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+3H2O+2H"	56.04448
"1519200"	253.11989	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+IsoProp+H"	61.06479
"422895"	223.031288	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+Na+K"	61.952376
"780976"	319.058838	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+Na+K"	61.952376
"1674025"	127.003738	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Na+K"	61.952376
"261644"	448.125968	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+ACN+Na"	64.015768
"1234352"	256.070868	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+ACN+Na"	64.015768
"1723238"	256.094393	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+NH4+HCOOH"	64.039293
"1189685"	87.0075846666667	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+3Na"	68.967654
"1658484"	261.049788	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Na+HCOOH"	68.994688
"165347"	461.02924	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+2K-H"	76.91904
"607093"	653.08434	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+2K-H"	76.91904
"1090513"	268.97414	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2K-H"	76.91904
"144050"	231.018258	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"2M+2K"	77.926316
"584705"	327.045808	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"3M+2K"	77.926316
"1074684"	134.990708	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2K"	77.926316
"1107892"	270.988692	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2K+H"	78.933592
"1342820"	271.076307	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+DMSO+H"	79.021207
"1011713"	275.115476	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2ACN+H"	83.060376
"1527652"	276.109108	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+IsoProp+Na+H"	84.054008
"996291"	138.061376	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+2ACN+2H"	84.067652
"1594073"	277.023728	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+K+HCOOH"	84.968628
"1419739"	307.055238	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+H+CF3COOH"	115.000138
"1155496"	158.574651	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+3ACN+2H"	125.094202
"1702859"	324.081785	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+NH4+CF3COOH"	132.026685
"1638509"	329.03718	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+Na+CF3COOH"	136.98208
"1581814"	345.01112	"C19298"	"Sodium ortho-phenylphenate"	"C12H9ONa"	"192.0551"	"M+K+CF3COOH"	152.95602
"808899"	99.9936	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M"	0
"985712"	80.97521	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-H2O-H"	-19.01839
"71772"	65.655124	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M-3H"	-3.021828
"512425"	98.986324	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M-3H"	-3.021828
"890229"	32.323924	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-3H"	-3.021828
"14032"	98.986324	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M-2H"	-2.014552
"453349"	148.983124	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M-2H"	-2.014552
"826168"	48.989524	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-2H"	-2.014552
"88346"	198.979924	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M-H"	-1.007276
"521346"	298.973524	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M-H"	-1.007276
"905711"	98.986324	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-H"	-1.007276
"55710"	216.006471	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M-2H+NH4"	16.019271
"493090"	316.000071	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M-2H+NH4"	16.019271
"869431"	116.012871	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-2H+NH4"	16.019271
"42072"	220.961866	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M-2H+Na"	20.974666
"475434"	320.955466	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M-2H+Na"	20.974666
"852142"	120.968266	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-2H+Na"	20.974666
"1624957"	120.968266	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Na-2H"	20.974666
"105499"	116.974663	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M-H+Cl"	33.962126
"535585"	166.971463	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M-H+Cl"	33.962126
"929100"	66.977863	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-H+Cl"	33.962126
"268750"	234.956602	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+Cl"	34.969402
"665182"	334.950202	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+Cl"	34.969402
"1279776"	134.963002	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Cl"	34.969402
"27800"	236.935806	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M-2H+K"	36.948606
"464081"	336.929406	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M-2H+K"	36.948606
"839690"	136.942206	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-2H+K"	36.948606
"1569012"	136.942206	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+K-2H"	36.948606
"953250"	144.991794	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-H+HCOOH"	44.998194
"371467"	244.985401	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+HCOOH-H"	44.998201
"354255"	259.001051	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+Hac-H"	59.013851
"1499808"	159.007451	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Hac-H"	59.013851
"968444"	166.973751	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-H+NaCOOH"	66.980151
"115162"	134.963002	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+2Cl"	69.938804
"563475"	184.959802	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+2Cl"	69.938804
"1033372"	84.966202	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2Cl"	69.938804
"1254774"	178.912485	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Br"	78.918885
"1319043"	180.968472	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Cl+HCOOH"	80.974872
"1334718"	202.950429	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Cl+NaCOOH"	102.956829
"926507"	212.979186	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M-H+CF3COOH"	112.985586
"1302852"	248.955864	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Cl+CF3COOH"	148.962264
"1379920"	64.980924	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H-2H2O"	-35.012676
"1395229"	82.9909	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H-H2O"	-17.0027
"296738"	200.994476	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+H"	1.007276
"688069"	300.988076	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+H"	1.007276
"1363687"	101.000876	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H"	1.007276
"140827"	101.000876	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+2H"	2.014552
"580382"	150.997676	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+2H"	2.014552
"1052467"	51.004076	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2H"	2.014552
"217206"	67.669676	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+3H"	3.021828
"656766"	101.000876	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+3H"	3.021828
"1175991"	34.338476	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+3H"	3.021828
"435978"	218.021023	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+NH4"	18.033823
"794788"	318.014623	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+NH4"	18.033823
"1691119"	118.027423	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+NH4"	18.033823
"337575"	109.5141495	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+H+NH4"	19.041099
"731819"	159.5109495	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+H+NH4"	19.041099
"1485638"	59.5173495	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H+NH4"	19.041099
"401037"	222.976418	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+Na"	22.989218
"759846"	322.970018	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+Na"	22.989218
"1609037"	122.982818	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Na"	22.989218
"316886"	111.991847	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+H+Na"	23.996494
"712590"	161.988647	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+H+Na"	23.996494
"1468599"	61.995047	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H+Na"	23.996494
"1058564"	41.66579	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2H+Na"	25.00377
"1264617"	133.027086	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+CH3OH+H"	33.033486
"385379"	238.950358	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+K"	38.963158
"747468"	338.943958	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+K"	38.963158
"1552802"	138.956758	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+K"	38.963158
"307789"	119.978817	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+H+K"	39.970434
"702402"	169.975617	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+H+K"	39.970434
"1458410"	69.982017	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H+K"	39.970434
"242638"	242.021026	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+ACN+H"	42.033826
"1219720"	142.027426	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+ACN+H"	42.033826
"1207981"	71.517351	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+ACN+2H"	43.041102
"203735"	244.95836	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+2Na-H"	44.97116
"643332"	344.95196	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+2Na-H"	44.97116
"1144648"	144.96476	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2Na-H"	44.97116
"184659"	122.982818	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+2Na"	45.978436
"627626"	172.979618	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+2Na"	45.978436
"1122253"	72.986018	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2Na"	45.978436
"1409062"	48.993104	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H+2Na"	46.985712
"1445201"	147.006346	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H+HCOOH"	47.012746
"234903"	128.01584	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+3H2O+2H"	56.04448
"1518216"	161.05839	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+IsoProp+H"	61.06479
"422277"	130.969788	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+Na+K"	61.952376
"778899"	180.966588	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+Na+K"	61.952376
"1671949"	80.972988	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Na+K"	61.952376
"262483"	264.002968	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+ACN+Na"	64.015768
"1235555"	164.009368	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+ACN+Na"	64.015768
"1722983"	164.032893	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+NH4+HCOOH"	64.039293
"1189067"	56.320418	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+3Na"	68.967654
"1659687"	168.988288	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Na+HCOOH"	68.994688
"163270"	276.90624	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+2K-H"	76.91904
"603923"	376.89984	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+2K-H"	76.91904
"1089530"	176.91264	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2K-H"	76.91904
"144160"	138.956758	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"2M+2K"	77.926316
"584814"	188.953558	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"3M+2K"	77.926316
"1073701"	88.959958	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2K"	77.926316
"1108004"	178.927192	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2K+H"	78.933592
"1342200"	179.014807	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+DMSO+H"	79.021207
"1012916"	183.053976	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2ACN+H"	83.060376
"1531042"	184.047608	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+IsoProp+Na+H"	84.054008
"996401"	92.030626	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+2ACN+2H"	84.067652
"1593090"	184.962228	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+K+HCOOH"	84.968628
"1419849"	214.993738	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+H+CF3COOH"	115.000138
"1155606"	112.543901	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+3ACN+2H"	125.094202
"1702969"	232.020285	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+NH4+CF3COOH"	132.026685
"1638619"	236.97568	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+Na+CF3COOH"	136.98208
"1581924"	252.94962	"C19299"	"Tetrafluoroethylene"	"C2F4"	"99.9936"	"M+K+CF3COOH"	152.95602
"809009"	195.9716	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M"	0
"984729"	176.95321	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-H2O-H"	-19.01839
"71882"	129.640457333333	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M-3H"	-3.021828
"515815"	194.964324	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M-3H"	-3.021828
"891432"	64.3165906666667	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-3H"	-3.021828
"14750"	194.964324	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M-2H"	-2.014552
"452851"	292.950124	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M-2H"	-2.014552
"826278"	96.978524	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-2H"	-2.014552
"88456"	390.935924	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M-H"	-1.007276
"521090"	586.907524	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M-H"	-1.007276
"906914"	194.964324	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-H"	-1.007276
"52540"	407.962471	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M-2H+NH4"	16.019271
"494293"	603.934071	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M-2H+NH4"	16.019271
"869541"	211.990871	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-2H+NH4"	16.019271
"38902"	412.917866	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M-2H+Na"	20.974666
"474451"	608.889466	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M-2H+Na"	20.974666
"851158"	216.946266	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-2H+Na"	20.974666
"1624703"	216.946266	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Na-2H"	20.974666
"106702"	212.952663	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M-H+Cl"	33.962126
"536425"	310.938463	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M-H+Cl"	33.962126
"929211"	114.966863	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-H+Cl"	33.962126
"268861"	426.912602	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+Cl"	34.969402
"666385"	622.884202	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+Cl"	34.969402
"1279885"	230.941002	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Cl"	34.969402
"23535"	428.891806	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M-2H+K"	36.948606
"463097"	624.863406	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M-2H+K"	36.948606
"838710"	232.920206	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-2H+K"	36.948606
"1562198"	232.920206	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+K-2H"	36.948606
"953361"	240.969794	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-H+HCOOH"	44.998194
"370483"	436.941401	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+HCOOH-H"	44.998201
"354365"	450.957051	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+Hac-H"	59.013851
"1498825"	254.985451	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Hac-H"	59.013851
"965274"	262.951751	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-H+NaCOOH"	66.980151
"115272"	230.941002	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+2Cl"	69.938804
"558117"	328.926802	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+2Cl"	69.938804
"1030202"	132.955202	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2Cl"	69.938804
"1250872"	274.890485	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Br"	78.918885
"1318787"	276.946472	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Cl+HCOOH"	80.974872
"1335190"	298.928429	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Cl+NaCOOH"	102.956829
"926133"	308.957186	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M-H+CF3COOH"	112.985586
"1303325"	344.933864	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Cl+CF3COOH"	148.962264
"1378937"	160.958924	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H-2H2O"	-35.012676
"1396067"	178.9689	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H-H2O"	-17.0027
"294661"	392.950476	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+H"	1.007276
"686356"	588.922076	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+H"	1.007276
"1361609"	196.978876	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H"	1.007276
"138507"	196.978876	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+2H"	2.014552
"579519"	294.964676	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+2H"	2.014552
"1051239"	98.993076	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2H"	2.014552
"215858"	131.655009333333	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+3H"	3.021828
"656876"	196.978876	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+3H"	3.021828
"1171360"	66.3311426666667	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+3H"	3.021828
"430986"	409.977023	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+NH4"	18.033823
"789792"	605.948623	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+NH4"	18.033823
"1686489"	214.005423	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+NH4"	18.033823
"332579"	205.4921495	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+H+NH4"	19.041099
"727553"	303.4779495	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+H+NH4"	19.041099
"1480279"	107.5063495	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H+NH4"	19.041099
"396042"	414.932418	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+Na"	22.989218
"755580"	610.904018	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+Na"	22.989218
"1604889"	218.960818	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Na"	22.989218
"315175"	207.969847	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+H+Na"	23.996494
"710512"	305.955647	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+H+Na"	23.996494
"1463240"	109.984047	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H+Na"	23.996494
"1053814"	73.6584566666667	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2H+Na"	25.00377
"1261812"	229.005086	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+CH3OH+H"	33.033486
"385489"	430.906358	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+K"	38.963158
"746484"	626.877958	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+K"	38.963158
"1550361"	234.934758	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+K"	38.963158
"307901"	215.956817	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+H+K"	39.970434
"701418"	313.942617	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+H+K"	39.970434
"1457427"	117.971017	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H+K"	39.970434
"249310"	433.977026	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+ACN+H"	42.033826
"1217643"	238.005426	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+ACN+H"	42.033826
"1206630"	119.506351	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+ACN+2H"	43.041102
"202054"	436.91436	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+2Na-H"	44.97116
"641251"	632.88596	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+2Na-H"	44.97116
"1143302"	240.94276	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2Na-H"	44.97116
"183676"	218.960818	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+2Na"	45.978436
"627610"	316.946618	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+2Na"	45.978436
"1117626"	120.975018	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2Na"	45.978436
"1406256"	80.9857706666667	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H+2Na"	46.985712
"1444821"	242.984346	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H+HCOOH"	47.012746
"235458"	223.99384	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+3H2O+2H"	56.04448
"1517232"	257.03639	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+IsoProp+H"	61.06479
"421292"	226.947788	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+Na+K"	61.952376
"776821"	324.933588	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+Na+K"	61.952376
"1673152"	128.961988	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Na+K"	61.952376
"261863"	455.958968	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+ACN+Na"	64.015768
"1235666"	259.987368	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+ACN+Na"	64.015768
"1722363"	260.010893	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+NH4+HCOOH"	64.039293
"1186625"	88.3130846666667	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+3Na"	68.967654
"1658703"	264.966288	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Na+HCOOH"	68.994688
"163380"	468.86224	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+2K-H"	76.91904
"601846"	664.83384	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+2K-H"	76.91904
"1088546"	272.89064	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2K-H"	76.91904
"143177"	234.934758	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"2M+2K"	77.926316
"582128"	332.920558	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"3M+2K"	77.926316
"1070530"	136.948958	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2K"	77.926316
"1105928"	274.905192	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2K+H"	78.933592
"1341216"	274.992807	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+DMSO+H"	79.021207
"1011933"	279.031976	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2ACN+H"	83.060376
"1530060"	280.025608	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+IsoProp+Na+H"	84.054008
"998697"	140.019626	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+2ACN+2H"	84.067652
"1593200"	280.940228	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+K+HCOOH"	84.968628
"1419959"	310.971738	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+H+CF3COOH"	115.000138
"1155716"	160.532901	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+3ACN+2H"	125.094202
"1704172"	327.998285	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+NH4+CF3COOH"	132.026685
"1638729"	332.95368	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+Na+CF3COOH"	136.98208
"1582034"	348.92762	"C19300"	"Tetranitromethane"	"CN4O8"	"195.9716"	"M+K+CF3COOH"	152.95602
"809119"	132.0535	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M"	0
"988119"	113.03511	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-H2O-H"	-19.01839
"68711"	87.0283906666667	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M-3H"	-3.021828
"512645"	131.046224	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M-3H"	-3.021828
"893728"	43.0105573333333	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-3H"	-3.021828
"15468"	131.046224	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M-2H"	-2.014552
"454781"	197.072974	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M-2H"	-2.014552
"823108"	65.019474	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-2H"	-2.014552
"88566"	263.099724	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M-H"	-1.007276
"522659"	395.153224	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M-H"	-1.007276
"909211"	131.046224	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-H"	-1.007276
"55930"	280.126271	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M-2H+NH4"	16.019271
"493310"	412.179771	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M-2H+NH4"	16.019271
"871110"	148.072771	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-2H+NH4"	16.019271
"39012"	285.081666	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M-2H+Na"	20.974666
"476748"	417.135166	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M-2H+Na"	20.974666
"852362"	153.028166	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-2H+Na"	20.974666
"1625541"	153.028166	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Na-2H"	20.974666
"100250"	149.034563	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M-H+Cl"	33.962126
"539816"	215.061313	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M-H+Cl"	33.962126
"933331"	83.007813	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-H+Cl"	33.962126
"273345"	299.076402	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+Cl"	34.969402
"669775"	431.129902	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+Cl"	34.969402
"1279995"	167.022902	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Cl"	34.969402
"29112"	301.055606	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M-2H+K"	36.948606
"465394"	433.109106	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M-2H+K"	36.948606
"842100"	169.002106	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-2H+K"	36.948606
"1563402"	169.002106	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+K-2H"	36.948606
"953107"	177.051694	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-H+HCOOH"	44.998194
"373509"	309.105201	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+HCOOH-H"	44.998201
"355568"	323.120851	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+Hac-H"	59.013851
"1501486"	191.067351	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Hac-H"	59.013851
"965384"	199.033651	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-H+NaCOOH"	66.980151
"115382"	167.022902	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+2Cl"	69.938804
"556040"	233.049652	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+2Cl"	69.938804
"1035779"	100.996152	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2Cl"	69.938804
"1256449"	210.972385	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Br"	78.918885
"1318897"	213.028372	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Cl+HCOOH"	80.974872
"1335576"	235.010329	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Cl+NaCOOH"	102.956829
"926726"	245.039086	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M-H+CF3COOH"	112.985586
"1302703"	281.015764	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Cl+CF3COOH"	148.962264
"1382330"	97.040824	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H-2H2O"	-35.012676
"1397882"	115.0508	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H-H2O"	-17.0027
"297932"	265.114276	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+H"	1.007276
"686465"	397.167776	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+H"	1.007276
"1365970"	133.060776	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H"	1.007276
"141129"	133.060776	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+2H"	2.014552
"581212"	199.087526	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+2H"	2.014552
"1052754"	67.034026	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2H"	2.014552
"219946"	89.0429426666667	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+3H"	3.021828
"659172"	133.060776	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+3H"	3.021828
"1174024"	45.0251093333333	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+3H"	3.021828
"432918"	282.140823	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+NH4"	18.033823
"791726"	414.194323	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+NH4"	18.033823
"1689151"	150.087323	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+NH4"	18.033823
"335243"	141.5740495	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+H+NH4"	19.041099
"730943"	207.6007995	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+H+NH4"	19.041099
"1481482"	75.5472995	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H+NH4"	19.041099
"395786"	287.096218	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+Na"	22.989218
"756785"	419.149718	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+Na"	22.989218
"1605975"	155.042718	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Na"	22.989218
"318201"	144.051747	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+H+Na"	23.996494
"710623"	210.078497	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+H+Na"	23.996494
"1465537"	78.024997	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H+Na"	23.996494
"1055506"	52.3524233333333	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2H+Na"	25.00377
"1261558"	165.086986	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+CH3OH+H"	33.033486
"385599"	303.070158	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+K"	38.963158
"748780"	435.123658	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+K"	38.963158
"1550471"	171.016658	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+K"	38.963158
"308011"	152.038717	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+H+K"	39.970434
"703714"	218.065467	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+H+K"	39.970434
"1458631"	86.011967	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H+K"	39.970434
"248328"	306.140826	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+ACN+H"	42.033826
"1220668"	174.087326	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+ACN+H"	42.033826
"1206011"	87.547301	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+ACN+2H"	43.041102
"198882"	309.07816	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+2Na-H"	44.97116
"643754"	441.13166	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+2Na-H"	44.97116
"1143773"	177.02466	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2Na-H"	44.97116
"180869"	155.042718	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+2Na"	45.978436
"627924"	221.069468	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+2Na"	45.978436
"1119561"	89.015968	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2Na"	45.978436
"1404179"	59.6797373333333	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H+2Na"	46.985712
"1442862"	179.066246	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H+HCOOH"	47.012746
"235368"	160.07574	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+3H2O+2H"	56.04448
"1521716"	193.11829	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+IsoProp+H"	61.06479
"424238"	163.029688	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+Na+K"	61.952376
"780212"	229.056438	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+Na+K"	61.952376
"1674356"	97.002938	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Na+K"	61.952376
"259786"	328.122768	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+ACN+Na"	64.015768
"1236868"	196.069268	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+ACN+Na"	64.015768
"1718100"	196.092793	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+NH4+HCOOH"	64.039293
"1186732"	67.0070513333333	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+3Na"	68.967654
"1658811"	201.048188	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Na+HCOOH"	68.994688
"160210"	341.02604	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+2K-H"	76.91904
"599890"	473.07954	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+2K-H"	76.91904
"1087561"	208.97254	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2K-H"	76.91904
"143282"	171.016658	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"2M+2K"	77.926316
"586128"	237.043408	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"3M+2K"	77.926316
"1072824"	104.989908	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2K"	77.926316
"1106033"	210.987092	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2K+H"	78.933592
"1345698"	211.074707	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+DMSO+H"	79.021207
"1013134"	215.113876	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2ACN+H"	83.060376
"1533446"	216.107508	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+IsoProp+Na+H"	84.054008
"990247"	108.060576	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+2ACN+2H"	84.067652
"1593310"	217.022128	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+K+HCOOH"	84.968628
"1421162"	247.053638	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+H+CF3COOH"	115.000138
"1154732"	128.573851	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+3ACN+2H"	125.094202
"1704282"	264.080185	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+NH4+CF3COOH"	132.026685
"1638839"	269.03558	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+Na+CF3COOH"	136.98208
"1582144"	285.00952	"C19301"	"N-Nitroso-N-methylurethane"	"C4H8N2O3"	"132.0535"	"M+K+CF3COOH"	152.95602
"809229"	75.0143	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M"	0
"979481"	55.99591	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-H2O-H"	-19.01839
"68821"	49.0022573333333	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M-3H"	-3.021828
"509475"	74.007024	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M-3H"	-3.021828
"887277"	23.9974906666667	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-3H"	-3.021828
"8039"	74.007024	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M-2H"	-2.014552
"447600"	111.514174	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M-2H"	-2.014552
"825401"	36.499874	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-2H"	-2.014552
"78617"	149.021324	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M-H"	-1.007276
"519484"	224.035624	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M-H"	-1.007276
"908228"	74.007024	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-H"	-1.007276
"52760"	166.047871	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M-2H+NH4"	16.019271
"490504"	241.062171	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M-2H+NH4"	16.019271
"869397"	91.033571	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-2H+NH4"	16.019271
"36570"	171.003266	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M-2H+Na"	20.974666
"476858"	246.017566	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M-2H+Na"	20.974666
"851743"	95.988966	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-2H+Na"	20.974666
"1622371"	95.988966	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Na-2H"	20.974666
"104735"	91.995363	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M-H+Cl"	33.962126
"539196"	129.502513	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M-H+Cl"	33.962126
"931618"	54.488213	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-H+Cl"	33.962126
"270540"	184.998002	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+Cl"	34.969402
"673165"	260.012302	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+Cl"	34.969402
"1277918"	109.983702	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Cl"	34.969402
"25942"	186.977206	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M-2H+K"	36.948606
"465504"	261.991506	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M-2H+K"	36.948606
"841114"	111.962906	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-2H+K"	36.948606
"1565696"	111.962906	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+K-2H"	36.948606
"953582"	120.012494	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-H+HCOOH"	44.998194
"370704"	195.026801	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+HCOOH-H"	44.998201
"354587"	209.042451	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+Hac-H"	59.013851
"1502329"	134.028151	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Hac-H"	59.013851
"963671"	141.994451	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-H+NaCOOH"	66.980151
"122786"	109.983702	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+2Cl"	69.938804
"555057"	147.490852	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+2Cl"	69.938804
"1023859"	72.476552	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2Cl"	69.938804
"1252186"	153.933185	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Br"	78.918885
"1314634"	155.989172	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Cl+HCOOH"	80.974872
"1333225"	177.971129	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Cl+NaCOOH"	102.956829
"923189"	187.999886	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M-H+CF3COOH"	112.985586
"1303543"	223.976564	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Cl+CF3COOH"	148.962264
"1381344"	40.001624	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H-2H2O"	-35.012676
"1397745"	58.0116	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H-H2O"	-17.0027
"298160"	151.035876	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+H"	1.007276
"689852"	226.050176	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+H"	1.007276
"1365836"	76.021576	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H"	1.007276
"139453"	76.021576	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+2H"	2.014552
"580347"	113.528726	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+2H"	2.014552
"1052192"	38.514426	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2H"	2.014552
"216449"	51.0168093333333	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+3H"	3.021828
"657826"	76.021576	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+3H"	3.021828
"1175957"	26.0120426666667	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+3H"	3.021828
"431934"	168.062423	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+NH4"	18.033823
"790742"	243.076723	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+NH4"	18.033823
"1689261"	93.048123	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+NH4"	18.033823
"334624"	84.5348495	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+H+NH4"	19.041099
"725952"	122.0419995	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+H+NH4"	19.041099
"1480502"	47.0276995	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H+NH4"	19.041099
"396994"	173.017818	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+Na"	22.989218
"756050"	248.032118	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+Na"	22.989218
"1603896"	98.003518	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Na"	22.989218
"317217"	87.012547	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+H+Na"	23.996494
"711826"	124.519697	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+H+Na"	23.996494
"1466740"	49.505397	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H+Na"	23.996494
"1055616"	33.3393566666667	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2H+Na"	25.00377
"1259844"	108.047786	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+CH3OH+H"	33.033486
"385710"	188.991758	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+K"	38.963158
"746707"	264.006058	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+K"	38.963158
"1553862"	113.977458	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+K"	38.963158
"309215"	94.999517	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+H+K"	39.970434
"700543"	132.506667	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+H+K"	39.970434
"1456918"	57.492367	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H+K"	39.970434
"249166"	192.062426	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+ACN+H"	42.033826
"1218954"	117.048126	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+ACN+H"	42.033826
"1205028"	59.027701	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+ACN+2H"	43.041102
"198992"	194.99976	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+2Na-H"	44.97116
"641108"	270.01406	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+2Na-H"	44.97116
"1140967"	119.98546	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2Na-H"	44.97116
"182073"	98.003518	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+2Na"	45.978436
"628155"	135.510668	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+2Na"	45.978436
"1122951"	60.496368	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2Na"	45.978436
"1403196"	40.6666706666667	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H+2Na"	46.985712
"1439692"	122.027046	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H+HCOOH"	47.012746
"235629"	103.03654	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+3H2O+2H"	56.04448
"1515265"	136.07909	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+IsoProp+H"	61.06479
"423334"	105.990488	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+Na+K"	61.952376
"779228"	143.497638	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+Na+K"	61.952376
"1673371"	68.483338	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Na+K"	61.952376
"260990"	214.044368	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+ACN+Na"	64.015768
"1234791"	139.030068	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+ACN+Na"	64.015768
"1723676"	139.053593	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+NH4+HCOOH"	64.039293
"1186844"	47.9939846666667	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+3Na"	68.967654
"1657830"	144.008988	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Na+HCOOH"	68.994688
"164691"	226.94764	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+2K-H"	76.91904
"602066"	301.96194	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+2K-H"	76.91904
"1087672"	151.93334	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2K-H"	76.91904
"142784"	113.977458	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"2M+2K"	77.926316
"587331"	151.484608	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"3M+2K"	77.926316
"1070748"	76.470308	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2K"	77.926316
"1101281"	153.947892	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2K+H"	78.933592
"1344716"	154.035507	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+DMSO+H"	79.021207
"1009963"	158.074676	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2ACN+H"	83.060376
"1534285"	159.068308	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+IsoProp+Na+H"	84.054008
"990768"	79.540976	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+2ACN+2H"	84.067652
"1593420"	159.982928	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+K+HCOOH"	84.968628
"1424553"	190.014438	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+H+CF3COOH"	115.000138
"1159216"	100.054251	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+3ACN+2H"	125.094202
"1706579"	207.040985	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+NH4+CF3COOH"	132.026685
"1638949"	211.99638	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+Na+CF3COOH"	136.98208
"1582254"	227.97032	"C19302"	"Thioacetamide"	"C2H5NS"	"75.0143"	"M+K+CF3COOH"	152.95602
"809339"	216.0721	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M"	0
"979591"	197.05371	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-H2O-H"	-19.01839
"77560"	143.040790666667	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M-3H"	-3.021828
"518011"	215.064824	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M-3H"	-3.021828
"895042"	71.0167573333333	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-3H"	-3.021828
"11429"	215.064824	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M-2H"	-2.014552
"451718"	323.100874	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M-2H"	-2.014552
"829520"	107.028774	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-2H"	-2.014552
"81492"	431.136924	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M-H"	-1.007276
"523968"	647.209024	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M-H"	-1.007276
"908217"	215.064824	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-H"	-1.007276
"52870"	448.163471	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M-2H+NH4"	16.019271
"488424"	664.235571	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M-2H+NH4"	16.019271
"866954"	232.091371	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-2H+NH4"	16.019271
"33034"	453.118866	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M-2H+Na"	20.974666
"474050"	669.190966	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M-2H+Na"	20.974666
"854405"	237.046766	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-2H+Na"	20.974666
"1625031"	237.046766	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Na-2H"	20.974666
"103752"	233.053163	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M-H+Cl"	33.962126
"535663"	341.089213	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M-H+Cl"	33.962126
"930271"	125.017113	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-H+Cl"	33.962126
"273202"	467.113602	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+Cl"	34.969402
"671089"	683.185702	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+Cl"	34.969402
"1278028"	251.041502	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Cl"	34.969402
"27145"	469.092806	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M-2H+K"	36.948606
"464520"	685.164906	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M-2H+K"	36.948606
"839038"	253.020706	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-2H+K"	36.948606
"1569086"	253.020706	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+K-2H"	36.948606
"951505"	261.070294	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-H+HCOOH"	44.998194
"367534"	477.142401	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+HCOOH-H"	44.998201
"357977"	491.158051	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+Hac-H"	59.013851
"1499158"	275.085951	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Hac-H"	59.013851
"963416"	283.052251	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-H+NaCOOH"	66.980151
"121073"	251.041502	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+2Cl"	69.938804
"552980"	359.077552	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+2Cl"	69.938804
"1030529"	143.005452	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2Cl"	69.938804
"1251200"	294.990985	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Br"	78.918885
"1309276"	297.046972	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Cl+HCOOH"	80.974872
"1326774"	319.028929	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Cl+NaCOOH"	102.956829
"920018"	329.057686	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M-H+CF3COOH"	112.985586
"1300006"	365.034364	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Cl+CF3COOH"	148.962264
"1381698"	181.059424	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H-2H2O"	-35.012676
"1397613"	199.0694	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H-H2O"	-17.0027
"295715"	433.151476	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+H"	1.007276
"688865"	649.223576	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+H"	1.007276
"1364118"	217.079376	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H"	1.007276
"135913"	217.079376	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+2H"	2.014552
"578755"	325.115426	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+2H"	2.014552
"1051572"	109.043326	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2H"	2.014552
"217652"	145.055342666667	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+3H"	3.021828
"657207"	217.079376	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+3H"	3.021828
"1176431"	73.0313093333333	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+3H"	3.021828
"432045"	450.178023	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+NH4"	18.033823
"790855"	666.250123	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+NH4"	18.033823
"1688279"	234.105923	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+NH4"	18.033823
"335463"	225.5926495	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+H+NH4"	19.041099
"726791"	333.6286995	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+H+NH4"	19.041099
"1479519"	117.5565995	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H+NH4"	19.041099
"396012"	455.133418	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+Na"	22.989218
"757011"	671.205518	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+Na"	22.989218
"1606197"	239.061318	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Na"	22.989218
"318424"	228.070347	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+H+Na"	23.996494
"709022"	336.106397	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+H+Na"	23.996494
"1463937"	120.034297	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H+Na"	23.996494
"1056820"	80.3586233333333	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2H+Na"	25.00377
"1259225"	249.105586	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+CH3OH+H"	33.033486
"383633"	471.107358	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+K"	38.963158
"749733"	687.179458	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+K"	38.963158
"1550692"	255.035258	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+K"	38.963158
"311878"	236.057317	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+H+K"	39.970434
"700653"	344.093367	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+H+K"	39.970434
"1457757"	128.021267	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H+K"	39.970434
"249276"	474.178026	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+ACN+H"	42.033826
"1219064"	258.105926	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+ACN+H"	42.033826
"1205138"	129.556601	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+ACN+2H"	43.041102
"199102"	477.11536	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+2Na-H"	44.97116
"642554"	693.18746	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+2Na-H"	44.97116
"1137794"	261.04326	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2Na-H"	44.97116
"177806"	239.061318	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+2Na"	45.978436
"628186"	347.097368	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+2Na"	45.978436
"1129500"	131.025268	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2Na"	45.978436
"1407679"	87.6859373333333	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H+2Na"	46.985712
"1441262"	263.084846	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H+HCOOH"	47.012746
"231323"	244.09434	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+3H2O+2H"	56.04448
"1518294"	277.13689	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+IsoProp+H"	61.06479
"422719"	247.048288	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+Na+K"	61.952376
"785415"	355.084338	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+Na+K"	61.952376
"1676034"	139.012238	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Na+K"	61.952376
"261102"	496.159968	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+ACN+Na"	64.015768
"1237090"	280.087868	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+ACN+Na"	64.015768
"1724152"	280.111393	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+NH4+HCOOH"	64.039293
"1188414"	95.0132513333333	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+3Na"	68.967654
"1658309"	285.066788	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Na+HCOOH"	68.994688
"166992"	509.06324	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+2K-H"	76.91904
"605094"	725.13534	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+2K-H"	76.91904
"1089970"	292.99114	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2K-H"	76.91904
"146788"	255.035258	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"2M+2K"	77.926316
"587443"	363.071308	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"3M+2K"	77.926316
"1075232"	146.999208	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2K"	77.926316
"1107349"	295.005692	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2K+H"	78.933592
"1347744"	295.093307	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+DMSO+H"	79.021207
"1017730"	299.132476	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2ACN+H"	83.060376
"1535855"	300.126108	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+IsoProp+Na+H"	84.054008
"990635"	150.069876	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+2ACN+2H"	84.067652
"1593530"	301.040728	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+K+HCOOH"	84.968628
"1425756"	331.072238	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+H+CF3COOH"	115.000138
"1160419"	170.583151	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+3ACN+2H"	125.094202
"1706689"	348.098785	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+NH4+CF3COOH"	132.026685
"1639059"	353.05418	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+Na+CF3COOH"	136.98208
"1582364"	369.02812	"C19303"	"44-Thiodianiline;44-Thiobisbenzenamine"	"C12H12N2S"	"216.0721"	"M+K+CF3COOH"	152.95602
"809449"	128.0044	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M"	0
"979701"	108.98601	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-H2O-H"	-19.01839
"74508"	84.3289906666667	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M-3H"	-3.021828
"516255"	126.997124	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M-3H"	-3.021828
"890776"	41.6608573333333	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-3H"	-3.021828
"12633"	126.997124	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M-2H"	-2.014552
"451828"	190.999324	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M-2H"	-2.014552
"829630"	62.994924	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-2H"	-2.014552
"80509"	255.001524	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M-H"	-1.007276
"522255"	383.005924	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M-H"	-1.007276
"907355"	126.997124	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-H"	-1.007276
"56260"	272.028071	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M-2H+NH4"	16.019271
"487801"	400.032471	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M-2H+NH4"	16.019271
"867429"	144.023671	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-2H+NH4"	16.019271
"33143"	276.983466	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M-2H+Na"	20.974666
"472822"	404.987866	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M-2H+Na"	20.974666
"850140"	148.979066	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-2H+Na"	20.974666
"1620037"	148.979066	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Na-2H"	20.974666
"100582"	144.985463	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M-H+Cl"	33.962126
"536866"	208.987663	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M-H+Cl"	33.962126
"930381"	80.983263	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-H+Cl"	33.962126
"273312"	290.978202	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+Cl"	34.969402
"670105"	418.982602	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+Cl"	34.969402
"1278138"	162.973802	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Cl"	34.969402
"23975"	292.957406	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M-2H+K"	36.948606
"458070"	420.961806	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M-2H+K"	36.948606
"834773"	164.953006	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-2H+K"	36.948606
"1564823"	164.953006	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+K-2H"	36.948606
"946147"	173.002594	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-H+HCOOH"	44.998194
"365456"	301.007001	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+HCOOH-H"	44.998201
"353715"	315.022651	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+Hac-H"	59.013851
"1496715"	187.018251	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Hac-H"	59.013851
"961704"	194.984551	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-H+NaCOOH"	66.980151
"116811"	162.973802	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+2Cl"	69.938804
"553088"	226.976002	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+2Cl"	69.938804
"1024078"	98.971602	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2Cl"	69.938804
"1243656"	206.923285	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Br"	78.918885
"1309385"	208.979272	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Cl+HCOOH"	80.974872
"1322510"	230.961229	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Cl+NaCOOH"	102.956829
"919035"	240.989986	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M-H+CF3COOH"	112.985586
"1300116"	276.966664	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Cl+CF3COOH"	148.962264
"1378279"	92.991724	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H-2H2O"	-35.012676
"1395412"	111.0017	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H-H2O"	-17.0027
"293273"	257.016076	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+H"	1.007276
"683506"	385.020476	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+H"	1.007276
"1364228"	129.011676	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H"	1.007276
"132743"	129.011676	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+2H"	2.014552
"572299"	193.013876	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+2H"	2.014552
"1047671"	65.009476	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2H"	2.014552
"213388"	86.3435426666667	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+3H"	3.021828
"656224"	129.011676	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+3H"	3.021828
"1172168"	43.6754093333333	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+3H"	3.021828
"429969"	274.042623	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+NH4"	18.033823
"790962"	402.047023	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+NH4"	18.033823
"1685106"	146.038223	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+NH4"	18.033823
"335572"	137.5249495	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+H+NH4"	19.041099
"723983"	201.5271495	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+H+NH4"	19.041099
"1477807"	73.5227495	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H+NH4"	19.041099
"393572"	278.998018	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+Na"	22.989218
"759308"	407.002418	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+Na"	22.989218
"1604243"	150.993618	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Na"	22.989218
"315860"	140.002647	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+H+Na"	23.996494
"707552"	204.004847	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+H+Na"	23.996494
"1462831"	76.000447	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H+Na"	23.996494
"1056930"	51.0027233333333	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2H+Na"	25.00377
"1260427"	161.037886	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+CH3OH+H"	33.033486
"383742"	294.971958	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+K"	38.963158
"741459"	422.976358	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+K"	38.963158
"1551166"	166.967558	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+K"	38.963158
"310528"	147.989617	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+H+K"	39.970434
"702949"	211.991817	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+H+K"	39.970434
"1458230"	83.987417	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H+K"	39.970434
"244277"	298.042626	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+ACN+H"	42.033826
"1219174"	170.038226	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+ACN+H"	42.033826
"1206706"	85.522751	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+ACN+2H"	43.041102
"199209"	300.97996	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+2Na-H"	44.97116
"640958"	428.98436	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+2Na-H"	44.97116
"1137175"	172.97556	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2Na-H"	44.97116
"179009"	150.993618	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+2Na"	45.978436
"618204"	214.995818	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+2Na"	45.978436
"1129367"	86.991418	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2Na"	45.978436
"1409976"	58.3300373333333	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H+2Na"	46.985712
"1437723"	175.017146	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H+HCOOH"	47.012746
"231433"	156.02664	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+3H2O+2H"	56.04448
"1521685"	189.06919	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+IsoProp+H"	61.06479
"422464"	158.980588	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+Na+K"	61.952376
"781635"	222.982788	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+Na+K"	61.952376
"1676875"	94.978388	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Na+K"	61.952376
"264127"	320.024568	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+ACN+Na"	64.015768
"1236107"	192.020168	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+ACN+Na"	64.015768
"1720982"	192.043693	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+NH4+HCOOH"	64.039293
"1187796"	65.6573513333333	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+3Na"	68.967654
"1657690"	196.999088	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Na+HCOOH"	68.994688
"163821"	332.92784	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+2K-H"	76.91904
"610672"	460.93224	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+2K-H"	76.91904
"1090083"	204.92344	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2K-H"	76.91904
"143618"	166.967558	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"2M+2K"	77.926316
"586459"	230.969758	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"3M+2K"	77.926316
"1073157"	102.965358	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2K"	77.926316
"1101260"	206.937992	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2K+H"	78.933592
"1346761"	207.025607	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+DMSO+H"	79.021207
"1016019"	211.064776	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2ACN+H"	83.060376
"1534873"	212.058408	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+IsoProp+Na+H"	84.054008
"990989"	106.036026	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+2ACN+2H"	84.067652
"1593639"	212.973028	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+K+HCOOH"	84.968628
"1422582"	243.004538	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+H+CF3COOH"	115.000138
"1158342"	126.549301	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+3ACN+2H"	125.094202
"1706799"	260.031085	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+NH4+CF3COOH"	132.026685
"1639169"	264.98648	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+Na+CF3COOH"	136.98208
"1579194"	280.96042	"C19304"	"Thiouracil;4-Hydroxy-2-pyrimidinethiol"	"C4H4N2OS"	"128.0044"	"M+K+CF3COOH"	152.95602
"809559"	238.9802	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M"	0
"983091"	219.96181	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-H2O-H"	-19.01839
"74618"	158.312857333333	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M-3H"	-3.021828
"516365"	237.972924	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M-3H"	-3.021828
"890886"	78.6527906666667	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-3H"	-3.021828
"13472"	237.972924	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M-2H"	-2.014552
"452302"	357.463024	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M-2H"	-2.014552
"830833"	118.482824	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-2H"	-2.014552
"81349"	476.953124	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M-H"	-1.007276
"520908"	715.933324	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M-H"	-1.007276
"910381"	237.972924	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-H"	-1.007276
"57463"	493.979671	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M-2H+NH4"	16.019271
"488763"	732.959871	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M-2H+NH4"	16.019271
"867175"	254.999471	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-2H+NH4"	16.019271
"35076"	498.935066	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M-2H+Na"	20.974666
"473905"	737.915266	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M-2H+Na"	20.974666
"853531"	259.954866	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-2H+Na"	20.974666
"1620511"	259.954866	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Na-2H"	20.974666
"103971"	255.961263	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M-H+Cl"	33.962126
"546817"	375.451363	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M-H+Cl"	33.962126
"935958"	136.471163	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-H+Cl"	33.962126
"279983"	512.929802	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+Cl"	34.969402
"671308"	751.910002	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+Cl"	34.969402
"1279342"	273.949602	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Cl"	34.969402
"17525"	514.909006	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M-2H+K"	36.948606
"461460"	753.889206	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M-2H+K"	36.948606
"835976"	275.928806	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-2H+K"	36.948606
"1567120"	275.928806	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+K-2H"	36.948606
"945162"	283.978394	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-H+HCOOH"	44.998194
"366657"	522.958601	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+HCOOH-H"	44.998201
"350545"	536.974251	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+Hac-H"	59.013851
"1498282"	297.994051	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Hac-H"	59.013851
"960720"	305.960351	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-H+NaCOOH"	66.980151
"112907"	273.949602	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+2Cl"	69.938804
"552833"	393.439702	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+2Cl"	69.938804
"1024187"	154.459502	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2Cl"	69.938804
"1243765"	317.899085	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Br"	78.918885
"1308401"	319.955072	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Cl+HCOOH"	80.974872
"1322618"	341.937029	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Cl+NaCOOH"	102.956829
"916957"	351.965786	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M-H+CF3COOH"	112.985586
"1298039"	387.942464	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Cl+CF3COOH"	148.962264
"1377294"	203.967524	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H-2H2O"	-35.012676
"1394791"	221.9775	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H-H2O"	-17.0027
"293383"	478.967676	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+H"	1.007276
"684709"	717.947876	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+H"	1.007276
"1364704"	239.987476	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H"	1.007276
"136133"	239.987476	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+2H"	2.014552
"572408"	359.477576	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+2H"	2.014552
"1047780"	120.497376	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2H"	2.014552
"215683"	160.327409333333	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+3H"	3.021828
"655969"	239.987476	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+3H"	3.021828
"1172278"	80.6673426666667	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+3H"	3.021828
"433357"	495.994223	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+NH4"	18.033823
"793258"	734.974423	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+NH4"	18.033823
"1688496"	257.014023	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+NH4"	18.033823
"336776"	248.5007495	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+H+NH4"	19.041099
"725550"	367.9908495	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+H+NH4"	19.041099
"1480469"	129.0106495	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H+NH4"	19.041099
"395504"	500.949618	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+Na"	22.989218
"759418"	739.929818	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+Na"	22.989218
"1603500"	261.969418	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Na"	22.989218
"314998"	250.978447	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+H+Na"	23.996494
"707659"	370.468547	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+H+Na"	23.996494
"1463057"	131.488347	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H+Na"	23.996494
"1053878"	87.9946566666667	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2H+Na"	25.00377
"1257742"	272.013686	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+CH3OH+H"	33.033486
"383851"	516.923558	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+K"	38.963158
"745942"	755.903758	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+K"	38.963158
"1552369"	277.943358	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+K"	38.963158
"313878"	258.965417	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+H+K"	39.970434
"703059"	378.455517	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+H+K"	39.970434
"1458704"	139.475317	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H+K"	39.970434
"245479"	519.994226	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+ACN+H"	42.033826
"1220377"	281.014026	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+ACN+H"	42.033826
"1208638"	141.010651	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+ACN+2H"	43.041102
"200048"	522.93156	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+2Na-H"	44.97116
"640340"	761.91176	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+2Na-H"	44.97116
"1136557"	283.95136	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2Na-H"	44.97116
"179119"	261.969418	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+2Na"	45.978436
"618314"	381.459518	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+2Na"	45.978436
"1130817"	142.479318	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2Na"	45.978436
"1413654"	95.3219706666667	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H+2Na"	46.985712
"1436740"	285.992946	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H+HCOOH"	47.012746
"232635"	267.00244	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+3H2O+2H"	56.04448
"1521065"	300.04499	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+IsoProp+H"	61.06479
"420751"	269.956388	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+Na+K"	61.952376
"781742"	389.446488	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+Na+K"	61.952376
"1676987"	150.466288	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Na+K"	61.952376
"262411"	541.976168	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+ACN+Na"	64.015768
"1235119"	302.995968	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+ACN+Na"	64.015768
"1724007"	303.019493	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+NH4+HCOOH"	64.039293
"1187907"	102.649284666667	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+3Na"	68.967654
"1659622"	307.974888	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Na+HCOOH"	68.994688
"166848"	554.87944	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+2K-H"	76.91904
"609324"	793.85964	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+2K-H"	76.91904
"1094202"	315.89924	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2K-H"	76.91904
"145915"	277.943358	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"2M+2K"	77.926316
"587663"	397.433458	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"3M+2K"	77.926316
"1073269"	158.453258	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2K"	77.926316
"1104287"	317.913792	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2K+H"	78.933592
"1346507"	318.001407	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+DMSO+H"	79.021207
"1016129"	322.040576	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2ACN+H"	83.060376
"1536807"	323.034208	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+IsoProp+Na+H"	84.054008
"991951"	161.523926	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+2ACN+2H"	84.067652
"1592657"	323.948828	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+K+HCOOH"	84.968628
"1419413"	353.980338	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+H+CF3COOH"	115.000138
"1158452"	182.037201	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+3ACN+2H"	125.094202
"1703629"	371.006885	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+NH4+CF3COOH"	132.026685
"1639279"	375.96228	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+Na+CF3COOH"	136.98208
"1579304"	391.93622	"C19305"	"Trichlormethine;222-Trichlorotriethylamine hydrochloride"	"C6H12Cl3NHCl"	"238.9802"	"M+K+CF3COOH"	152.95602
"809669"	211.1109	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M"	0
"983201"	192.09251	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-H2O-H"	-19.01839
"72541"	139.733324	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M-3H"	-3.021828
"515382"	210.103624	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M-3H"	-3.021828
"890996"	69.363024	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-3H"	-3.021828
"11759"	210.103624	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M-2H"	-2.014552
"449132"	315.659074	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M-2H"	-2.014552
"826934"	104.548174	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-2H"	-2.014552
"79270"	421.214524	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M-H"	-1.007276
"522109"	632.325424	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M-H"	-1.007276
"908668"	210.103624	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-H"	-1.007276
"56480"	438.241071	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M-2H+NH4"	16.019271
"488753"	649.351971	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M-2H+NH4"	16.019271
"867649"	227.130171	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-2H+NH4"	16.019271
"34458"	443.196466	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M-2H+Na"	20.974666
"474015"	654.307366	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M-2H+Na"	20.974666
"854735"	232.085566	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-2H+Na"	20.974666
"1622081"	232.085566	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Na-2H"	20.974666
"105174"	228.091963	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M-H+Cl"	33.962126
"546928"	333.647413	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M-H+Cl"	33.962126
"941414"	122.536513	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-H+Cl"	33.962126
"280091"	457.191202	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+Cl"	34.969402
"670325"	668.302102	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+Cl"	34.969402
"1277265"	246.080302	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Cl"	34.969402
"20915"	459.170406	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M-2H+K"	36.948606
"462662"	670.281306	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M-2H+K"	36.948606
"836086"	248.059506	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-2H+K"	36.948606
"1566136"	248.059506	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+K-2H"	36.948606
"944908"	256.109094	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-H+HCOOH"	44.998194
"366768"	467.220001	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+HCOOH-H"	44.998201
"353935"	481.235651	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+Hac-H"	59.013851
"1499486"	270.124751	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Hac-H"	59.013851
"962287"	278.091051	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-H+NaCOOH"	66.980151
"114841"	246.080302	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+2Cl"	69.938804
"553309"	351.635752	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+2Cl"	69.938804
"1026484"	140.524852	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2Cl"	69.938804
"1243875"	290.029785	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Br"	78.918885
"1307418"	292.085772	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Cl+HCOOH"	80.974872
"1321269"	314.067729	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Cl+NaCOOH"	102.956829
"915974"	324.096486	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M-H+CF3COOH"	112.985586
"1294869"	360.073164	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Cl+CF3COOH"	148.962264
"1373030"	176.098224	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H-2H2O"	-35.012676
"1390528"	194.1082	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H-H2O"	-17.0027
"293492"	423.229076	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+H"	1.007276
"681539"	634.339976	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+H"	1.007276
"1360075"	212.118176	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H"	1.007276
"132963"	212.118176	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+2H"	2.014552
"571426"	317.673626	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+2H"	2.014552
"1046793"	106.562726	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2H"	2.014552
"214699"	141.747876	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+3H"	3.021828
"653163"	212.118176	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+3H"	3.021828
"1169106"	71.377576	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+3H"	3.021828
"431282"	440.255623	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+NH4"	18.033823
"790089"	651.366523	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+NH4"	18.033823
"1685325"	229.144723	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+NH4"	18.033823
"333603"	220.6314495	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+H+NH4"	19.041099
"725296"	326.1868995	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+H+NH4"	19.041099
"1478756"	115.0759995	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H+NH4"	19.041099
"394157"	445.211018	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+Na"	22.989218
"757341"	656.321918	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+Na"	22.989218
"1602960"	234.100118	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Na"	22.989218
"314320"	223.109147	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+H+Na"	23.996494
"708495"	328.664597	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+H+Na"	23.996494
"1462078"	117.553697	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H+Na"	23.996494
"1053131"	78.70489	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2H+Na"	25.00377
"1257851"	244.144386	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+CH3OH+H"	33.033486
"380681"	461.184958	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+K"	38.963158
"744959"	672.295858	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+K"	38.963158
"1549199"	250.074058	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+K"	38.963158
"310748"	231.096117	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+H+K"	39.970434
"699889"	336.651567	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+H+K"	39.970434
"1458450"	125.540667	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H+K"	39.970434
"243403"	464.255626	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+ACN+H"	42.033826
"1221580"	253.144726	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+ACN+H"	42.033826
"1209604"	127.076001	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+ACN+2H"	43.041102
"199428"	467.19296	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+2Na-H"	44.97116
"641908"	678.30386	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+2Na-H"	44.97116
"1137395"	256.08206	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2Na-H"	44.97116
"184697"	234.100118	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+2Na"	45.978436
"617331"	339.655568	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+2Na"	45.978436
"1126670"	128.544668	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2Na"	45.978436
"1409103"	86.032204	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H+2Na"	46.985712
"1445110"	258.123646	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H+HCOOH"	47.012746
"228733"	239.13314	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+3H2O+2H"	56.04448
"1523683"	272.17569	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+IsoProp+H"	61.06479
"420860"	242.087088	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+Na+K"	61.952376
"778573"	347.642538	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+Na+K"	61.952376
"1678553"	136.531638	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Na+K"	61.952376
"263249"	486.237568	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+ACN+Na"	64.015768
"1237780"	275.126668	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+ACN+Na"	64.015768
"1725209"	275.150193	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+NH4+HCOOH"	64.039293
"1189840"	93.359518	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+3Na"	68.967654
"1661554"	280.105588	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Na+HCOOH"	68.994688
"169509"	499.14084	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+2K-H"	76.91904
"609797"	710.25174	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+2K-H"	76.91904
"1092490"	288.02994	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2K-H"	76.91904
"146025"	250.074058	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"2M+2K"	77.926316
"585586"	355.629508	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"3M+2K"	77.926316
"1073378"	144.518608	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2K"	77.926316
"1100748"	290.044492	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2K+H"	78.933592
"1348076"	290.132107	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+DMSO+H"	79.021207
"1015874"	294.171276	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2ACN+H"	83.060376
"1537282"	295.164908	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+IsoProp+Na+H"	84.054008
"991696"	147.589276	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+2ACN+2H"	84.067652
"1591674"	296.079528	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+K+HCOOH"	84.968628
"1417337"	326.111038	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+H+CF3COOH"	115.000138
"1159656"	168.102551	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+3ACN+2H"	125.094202
"1707019"	343.137585	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+NH4+CF3COOH"	132.026685
"1638296"	348.09298	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+Na+CF3COOH"	136.98208
"1579414"	364.06692	"C19306"	"Trp-P-1;3-Amino-14-dimethyl-5H-pyrido43-bindole"	"C13H13N3"	"211.1109"	"M+K+CF3COOH"	152.95602
"809779"	959.9824	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M"	0
"983311"	940.96401	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H2O-H"	-19.01839
"74838"	638.980990666667	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-3H"	-3.021828
"515128"	958.975124	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-3H"	-3.021828
"891107"	318.986857333333	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-3H"	-3.021828
"11869"	958.975124	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H"	-2.014552
"449241"	1438.966324	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H"	-2.014552
"823763"	478.983924	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H"	-2.014552
"80837"	1918.957524	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-H"	-1.007276
"523312"	2878.939924	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-H"	-1.007276
"903308"	958.975124	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H"	-1.007276
"57683"	1935.984071	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H+NH4"	16.019271
"491784"	2895.966471	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H+NH4"	16.019271
"867396"	976.001671	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H+NH4"	16.019271
"34567"	1940.939466	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H+Na"	20.974666
"475219"	2900.921866	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H+Na"	20.974666
"851929"	980.957066	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H+Na"	20.974666
"1622191"	980.957066	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na-2H"	20.974666
"104191"	976.963463	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-H+Cl"	33.962126
"547038"	1456.954663	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-H+Cl"	33.962126
"938365"	496.972263	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+Cl"	33.962126
"280931"	1954.934202	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Cl"	34.969402
"671528"	2914.916602	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+Cl"	34.969402
"1278469"	994.951802	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl"	34.969402
"18837"	1956.913406	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H+K"	36.948606
"458397"	2916.895806	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H+K"	36.948606
"836196"	996.931006	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H+K"	36.948606
"1558591"	996.931006	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K-2H"	36.948606
"948661"	1004.980594	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+HCOOH"	44.998194
"366879"	1964.963001	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+HCOOH-H"	44.998201
"348578"	1978.978651	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Hac-H"	59.013851
"1499596"	1018.996251	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Hac-H"	59.013851
"961669"	1026.962551	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+NaCOOH"	66.980151
"113857"	994.951802	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2Cl"	69.938804
"554513"	1474.943002	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2Cl"	69.938804
"1026594"	514.960602	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2Cl"	69.938804
"1243985"	1038.901285	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Br"	78.918885
"1308620"	1040.957272	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl+HCOOH"	80.974872
"1320650"	1062.939229	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl+NaCOOH"	102.956829
"913896"	1072.967986	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+CF3COOH"	112.985586
"1291697"	1108.944664	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl+CF3COOH"	148.962264
"1369860"	924.969724	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H-2H2O"	-35.012676
"1392822"	942.9797	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H-H2O"	-17.0027
"290322"	1920.972076	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H"	1.007276
"681649"	2880.954476	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H"	1.007276
"1357997"	960.989676	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H"	1.007276
"135259"	960.989676	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2H"	2.014552
"573723"	1440.980876	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2H"	2.014552
"1043622"	480.998476	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2H"	2.014552
"214803"	640.995542666667	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+3H"	3.021828
"653273"	960.989676	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+3H"	3.021828
"1167028"	321.001409333333	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+3H"	3.021828
"429205"	1937.998623	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+NH4"	18.033823
"791291"	2897.981023	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+NH4"	18.033823
"1686529"	978.016223	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+NH4"	18.033823
"332985"	969.5029495	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H+NH4"	19.041099
"725044"	1449.4941495	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H+NH4"	19.041099
"1477206"	489.5117495	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+NH4"	19.041099
"392910"	1942.954018	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Na"	22.989218
"757451"	2902.936418	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+Na"	22.989218
"1602771"	982.971618	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na"	22.989218
"314610"	971.980647	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H+Na"	23.996494
"707635"	1451.971847	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H+Na"	23.996494
"1462067"	491.989447	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+Na"	23.996494
"1052953"	328.328723333333	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2H+Na"	25.00377
"1258936"	993.015886	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+CH3OH+H"	33.033486
"380791"	1958.927958	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+K"	38.963158
"745069"	2918.910358	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+K"	38.963158
"1549309"	998.945558	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K"	38.963158
"309765"	979.967617	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H+K"	39.970434
"699999"	1459.958817	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H+K"	39.970434
"1457101"	499.976417	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+K"	39.970434
"242420"	1961.998626	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+ACN+H"	42.033826
"1219503"	1002.016226	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+ACN+H"	42.033826
"1207034"	501.511751	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+ACN+2H"	43.041102
"198445"	1964.93596	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2Na-H"	44.97116
"640924"	2924.91836	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2Na-H"	44.97116
"1142604"	1004.95356	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2Na-H"	44.97116
"184807"	982.971618	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2Na"	45.978436
"616713"	1462.962818	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2Na"	45.978436
"1126780"	502.980418	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2Na"	45.978436
"1409213"	335.656037333333	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+2Na"	46.985712
"1444006"	1006.995146	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+HCOOH"	47.012746
"231758"	988.00464	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+3H2O+2H"	56.04448
"1519091"	1021.04719	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+IsoProp+H"	61.06479
"420606"	990.958588	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Na+K"	61.952376
"778683"	1470.949788	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+Na+K"	61.952376
"1677569"	510.967388	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na+K"	61.952376
"259349"	1983.980568	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+ACN+Na"	64.015768
"1237526"	1023.998168	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+ACN+Na"	64.015768
"1722767"	1024.021693	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+NH4+HCOOH"	64.039293
"1188491"	342.983351333333	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+3Na"	68.967654
"1662758"	1028.977088	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na+HCOOH"	68.994688
"168163"	1996.88384	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2K-H"	76.91904
"609909"	2956.86624	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2K-H"	76.91904
"1089319"	1036.90144	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2K-H"	76.91904
"144312"	998.945558	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2K"	77.926316
"584603"	1478.936758	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2K"	77.926316
"1072395"	518.954358	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2K"	77.926316
"1100496"	1038.915992	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2K+H"	78.933592
"1349641"	1039.003607	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+DMSO+H"	79.021207
"1018169"	1043.042776	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2ACN+H"	83.060376
"1537392"	1044.036408	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+IsoProp+Na+H"	84.054008
"991806"	522.025026	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2ACN+2H"	84.067652
"1590691"	1044.951028	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K+HCOOH"	84.968628
"1417447"	1074.982538	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+CF3COOH"	115.000138
"1161224"	542.538301	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+3ACN+2H"	125.094202
"1707129"	1092.009085	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+NH4+CF3COOH"	132.026685
"1639499"	1096.96448	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na+CF3COOH"	136.98208
"1579524"	1112.93842	"C19307"	"Trypan Blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K+CF3COOH"	152.95602
"809889"	181.8625	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M"	0
"980141"	162.84411	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-H2O-H"	-19.01839
"73855"	120.234390666667	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M-3H"	-3.021828
"512322"	180.855224	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M-3H"	-3.021828
"891217"	59.6135573333333	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-3H"	-3.021828
"7604"	180.855224	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M-2H"	-2.014552
"447163"	271.786474	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M-2H"	-2.014552
"821686"	89.923974	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-2H"	-2.014552
"81314"	362.717724	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M-H"	-1.007276
"523425"	544.580224	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M-H"	-1.007276
"903418"	180.855224	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-H"	-1.007276
"55608"	379.744271	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M-2H+NH4"	16.019271
"491529"	561.606771	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M-2H+NH4"	16.019271
"866409"	197.881771	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-2H+NH4"	16.019271
"33583"	384.699666	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M-2H+Na"	20.974666
"473870"	566.562166	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M-2H+Na"	20.974666
"849483"	202.837166	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-2H+Na"	20.974666
"1620841"	202.837166	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Na-2H"	20.974666
"101022"	198.843563	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M-H+Cl"	33.962126
"548120"	289.774813	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M-H+Cl"	33.962126
"938475"	107.912313	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-H+Cl"	33.962126
"282136"	398.694402	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+Cl"	34.969402
"671638"	580.556902	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+Cl"	34.969402
"1286961"	216.831902	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Cl"	34.969402
"22227"	400.673606	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M-2H+K"	36.948606
"461787"	582.536106	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M-2H+K"	36.948606
"838494"	218.811106	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-2H+K"	36.948606
"1559795"	218.811106	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+K-2H"	36.948606
"949866"	226.860694	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-H+HCOOH"	44.998194
"369176"	408.723201	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+HCOOH-H"	44.998201
"350875"	422.738851	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+Hac-H"	59.013851
"1499706"	240.876351	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Hac-H"	59.013851
"961779"	248.842651	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-H+NaCOOH"	66.980151
"116154"	216.831902	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+2Cl"	69.938804
"555716"	307.763152	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+2Cl"	69.938804
"1025610"	125.900652	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2Cl"	69.938804
"1244095"	260.781385	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Br"	78.918885
"1312010"	262.837372	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Cl+HCOOH"	80.974872
"1328415"	284.819329	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Cl+NaCOOH"	102.956829
"920567"	294.848086	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M-H+CF3COOH"	112.985586
"1297274"	330.824764	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Cl+CF3COOH"	148.962264
"1377622"	146.849824	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H-2H2O"	-35.012676
"1394025"	164.8598	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H-H2O"	-17.0027
"294804"	364.732276	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+H"	1.007276
"685039"	546.594776	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+H"	1.007276
"1359200"	182.869776	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H"	1.007276
"135369"	182.869776	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+2H"	2.014552
"573833"	273.801026	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+2H"	2.014552
"1045919"	91.938526	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2H"	2.014552
"217100"	122.248942666667	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+3H"	3.021828
"654474"	182.869776	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+3H"	3.021828
"1165317"	61.6281093333333	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+3H"	3.021828
"431502"	381.758823	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+NH4"	18.033823
"792494"	563.621323	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+NH4"	18.033823
"1684454"	199.896323	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+NH4"	18.033823
"333825"	191.3830495	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+H+NH4"	19.041099
"725518"	282.3142995	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+H+NH4"	19.041099
"1477883"	100.4517995	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H+NH4"	19.041099
"393279"	386.714218	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+Na"	22.989218
"755617"	568.576718	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+Na"	22.989218
"1603143"	204.851718	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Na"	22.989218
"314839"	193.860747	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+H+Na"	23.996494
"708838"	284.791997	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+H+Na"	23.996494
"1462054"	102.929497	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H+Na"	23.996494
"1054204"	68.9554233333333	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2H+Na"	25.00377
"1260140"	214.895986	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+CH3OH+H"	33.033486
"378350"	402.688158	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+K"	38.963158
"746274"	584.550658	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+K"	38.963158
"1549421"	220.825658	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+K"	38.963158
"308783"	201.847717	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+H+K"	39.970434
"697923"	292.778967	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+H+K"	39.970434
"1456118"	110.916467	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H+K"	39.970434
"244716"	405.758826	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+ACN+H"	42.033826
"1218519"	223.896326	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+ACN+H"	42.033826
"1206051"	112.451801	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+ACN+2H"	43.041102
"198555"	408.69616	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+2Na-H"	44.97116
"641035"	590.55866	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+2Na-H"	44.97116
"1138343"	226.83366	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2Na-H"	44.97116
"184553"	204.851718	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+2Na"	45.978436
"620103"	295.782968	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+2Na"	45.978436
"1120329"	113.920468	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2Na"	45.978436
"1409321"	76.2827373333333	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H+2Na"	46.985712
"1441440"	228.875246	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H+HCOOH"	47.012746
"234784"	209.88474	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+3H2O+2H"	56.04448
"1519202"	242.92729	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+IsoProp+H"	61.06479
"421073"	212.838688	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+Na+K"	61.952376
"782806"	303.769938	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+Na+K"	61.952376
"1678772"	121.907438	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Na+K"	61.952376
"262375"	427.740768	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+ACN+Na"	64.015768
"1239095"	245.878268	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+ACN+Na"	64.015768
"1723971"	245.901793	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+NH4+HCOOH"	64.039293
"1189695"	83.6100513333333	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+3Na"	68.967654
"1660682"	250.857188	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Na+HCOOH"	68.994688
"167544"	440.64404	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+2K-H"	76.91904
"608925"	622.50654	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+2K-H"	76.91904
"1088334"	258.78154	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2K-H"	76.91904
"145150"	220.825658	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"2M+2K"	77.926316
"585076"	311.756908	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"3M+2K"	77.926316
"1070315"	129.894408	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2K"	77.926316
"1100117"	260.796092	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2K+H"	78.933592
"1348661"	260.883707	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+DMSO+H"	79.021207
"1017187"	264.922876	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2ACN+H"	83.060376
"1537502"	265.916508	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+IsoProp+Na+H"	84.054008
"990457"	132.965076	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+2ACN+2H"	84.067652
"1591897"	266.831128	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+K+HCOOH"	84.968628
"1423025"	296.862638	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+H+CF3COOH"	115.000138
"1160970"	153.478351	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+3ACN+2H"	125.094202
"1710520"	313.889185	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+NH4+CF3COOH"	132.026685
"1639609"	318.84458	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+Na+CF3COOH"	136.98208
"1579634"	334.81852	"C19308"	"Vanadium pentoxide"	"V2O5"	"181.8625"	"M+K+CF3COOH"	152.95602
"809999"	86.0368	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M"	0
"983531"	67.01841	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"72871"	56.3505906666667	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"513525"	85.029524	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"893515"	27.6716573333333	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"7713"	85.029524	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"449459"	128.047924	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"819608"	42.011124	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"79966"	171.066324	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"520255"	257.103124	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"903528"	85.029524	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"55718"	188.092871	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"492003"	274.129671	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"869075"	102.056071	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"33696"	193.048266	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"477264"	279.085066	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"855065"	107.011466	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1622775"	107.011466	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"101132"	103.017863	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"548596"	146.036263	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"941382"	59.999463	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"280306"	207.043002	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"673450"	293.079802	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1280876"	121.006202	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"24525"	209.022206	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"465178"	295.059006	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"844072"	122.985406	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1562092"	122.985406	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"948883"	131.034994	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"367100"	217.071801	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"350984"	231.087451	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1497264"	145.050651	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"962982"	153.016951	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"111890"	121.006202	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"554732"	164.024602	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1023896"	77.987802	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1243475"	164.955685	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1306653"	167.011672	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1330711"	188.993629	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"919583"	199.022386	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1299571"	234.999064	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1376639"	51.024124	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1390855"	69.0341	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"291634"	173.080876	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"685150"	259.117676	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1360404"	87.044076	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"133292"	87.044076	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"571756"	130.062476	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1049309"	44.025676	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"212834"	58.3651426666667	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"653489"	87.044076	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1167248"	29.6862093333333	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"431612"	190.107423	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"790420"	276.144223	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1685659"	104.070623	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"335028"	95.5573495	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"726720"	138.5757495	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1478723"	52.5389495	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"393268"	195.062818	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"756578"	281.099618	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1603456"	109.026018	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"315194"	98.035047	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"709190"	141.053447	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1463139"	55.016647	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1053468"	37.0135233333333	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1262437"	119.070286	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"381012"	211.036758	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"746384"	297.073558	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1551718"	124.999958	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"306706"	106.022017	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"701314"	149.040417	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1457321"	63.003617	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"245920"	214.107426	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1220819"	128.070626	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1206891"	64.538951	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"200490"	217.04476	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"642603"	303.08156	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1139547"	131.00796	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"185027"	109.026018	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"619484"	152.044418	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1123719"	66.007618	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1411619"	44.3408373333333	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1440456"	133.049546	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"234892"	114.05904	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1521864"	147.10159	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"423615"	117.012988	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"784373"	160.031388	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1680333"	73.994588	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"261756"	236.089368	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1239204"	150.052568	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1722989"	150.076093	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1190900"	51.6681513333333	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1660792"	155.031488	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"168746"	248.99264	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"609401"	335.02944	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1088444"	162.95584	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"145260"	124.999958	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"596730"	168.018358	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1073710"	81.981558	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1104731"	164.970392	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1348771"	165.058007	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1017298"	169.097176	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1538705"	170.090808	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"992027"	85.052226	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1592007"	171.005428	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1426415"	201.036938	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1161080"	105.565501	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1707350"	218.063485	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1639719"	223.01888	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1579744"	238.99282	"C19309"	"Vinyl acetate"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"810109"	108.0939	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M"	0
"981454"	89.07551	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-H2O-H"	-19.01839
"75168"	71.055324	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M-3H"	-3.021828
"514728"	107.086624	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M-3H"	-3.021828
"892530"	35.024024	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-3H"	-3.021828
"7824"	107.086624	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M-2H"	-2.014552
"447382"	161.133574	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M-2H"	-2.014552
"820811"	53.039674	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-2H"	-2.014552
"81895"	215.180524	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M-H"	-1.007276
"519636"	323.274424	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M-H"	-1.007276
"903638"	107.086624	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-H"	-1.007276
"59108"	232.207071	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M-2H+NH4"	16.019271
"491019"	340.300971	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M-2H+NH4"	16.019271
"867725"	124.113171	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-2H+NH4"	16.019271
"35261"	237.162466	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M-2H+Na"	20.974666
"477737"	345.256366	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M-2H+Na"	20.974666
"850552"	129.068566	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-2H+Na"	20.974666
"1622516"	129.068566	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Na-2H"	20.974666
"102335"	125.074963	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M-H+Cl"	33.962126
"548097"	179.121913	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M-H+Cl"	33.962126
"941740"	71.028013	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-H+Cl"	33.962126
"281626"	251.157202	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+Cl"	34.969402
"670765"	359.251102	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+Cl"	34.969402
"1286455"	143.063302	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Cl"	34.969402
"29009"	253.136406	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M-2H+K"	36.948606
"469664"	361.230306	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M-2H+K"	36.948606
"841998"	145.042506	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-2H+K"	36.948606
"1564390"	145.042506	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+K-2H"	36.948606
"950089"	153.092094	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-H+HCOOH"	44.998194
"367213"	261.186001	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+HCOOH-H"	44.998201
"353283"	275.201651	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+Hac-H"	59.013851
"1499196"	167.107751	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Hac-H"	59.013851
"961999"	175.074051	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-H+NaCOOH"	66.980151
"115280"	143.063302	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+2Cl"	69.938804
"554842"	197.110252	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+2Cl"	69.938804
"1024006"	89.016352	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2Cl"	69.938804
"1246502"	187.012785	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Br"	78.918885
"1307857"	189.068772	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Cl+HCOOH"	80.974872
"1321709"	211.050729	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Cl+NaCOOH"	102.956829
"914955"	221.079486	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M-H+CF3COOH"	112.985586
"1295309"	257.056164	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Cl+CF3COOH"	148.962264
"1375658"	73.081224	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H-2H2O"	-35.012676
"1389872"	91.0912	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H-H2O"	-17.0027
"290651"	217.195076	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+H"	1.007276
"681981"	325.288976	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+H"	1.007276
"1360514"	109.101176	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H"	1.007276
"133403"	109.101176	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+2H"	2.014552
"569315"	163.148126	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+2H"	2.014552
"1046139"	55.054226	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2H"	2.014552
"211851"	73.069876	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+3H"	3.021828
"652506"	109.101176	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+3H"	3.021828
"1166626"	37.038576	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+3H"	3.021828
"430628"	234.221623	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+NH4"	18.033823
"791622"	342.315523	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+NH4"	18.033823
"1686861"	126.127723	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+NH4"	18.033823
"332221"	117.6144495	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+H+NH4"	19.041099
"726831"	171.6613995	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+H+NH4"	19.041099
"1477372"	63.5674995	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H+NH4"	19.041099
"393866"	239.177018	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+Na"	22.989218
"757781"	347.270918	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+Na"	22.989218
"1602772"	131.083118	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Na"	22.989218
"314280"	120.092147	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+H+Na"	23.996494
"707480"	174.139097	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+H+Na"	23.996494
"1461787"	66.045197	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H+Na"	23.996494
"1053822"	44.36589	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2H+Na"	25.00377
"1260725"	141.127386	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+CH3OH+H"	33.033486
"379664"	255.150958	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+K"	38.963158
"746495"	363.244858	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+K"	38.963158
"1547454"	147.057058	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+K"	38.963158
"306817"	128.079117	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+H+K"	39.970434
"701426"	182.126067	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+H+K"	39.970434
"1453059"	74.032167	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H+K"	39.970434
"243847"	258.221626	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+ACN+H"	42.033826
"1218743"	150.127726	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+ACN+H"	42.033826
"1203720"	75.567501	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+ACN+2H"	43.041102
"195498"	261.15896	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+2Na-H"	44.97116
"637244"	369.25286	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+2Na-H"	44.97116
"1135283"	153.06506	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2Na-H"	44.97116
"181857"	131.083118	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+2Na"	45.978436
"616314"	185.130068	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+2Na"	45.978436
"1123829"	77.036168	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2Na"	45.978436
"1410635"	51.693204	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H+2Na"	46.985712
"1440566"	155.106646	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H+HCOOH"	47.012746
"234271"	136.11614	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+3H2O+2H"	56.04448
"1523556"	169.15869	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+IsoProp+H"	61.06479
"423481"	139.070088	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+Na+K"	61.952376
"784115"	193.117038	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+Na+K"	61.952376
"1678622"	85.023138	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Na+K"	61.952376
"261866"	280.203568	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+ACN+Na"	64.015768
"1238584"	172.109668	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+ACN+Na"	64.015768
"1725286"	172.133193	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+NH4+HCOOH"	64.039293
"1191008"	59.020518	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+3Na"	68.967654
"1663087"	177.088588	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Na+HCOOH"	68.994688
"171044"	293.10684	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+2K-H"	76.91904
"610604"	401.20074	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+2K-H"	76.91904
"1087461"	185.01294	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2K-H"	76.91904
"147557"	147.057058	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"2M+2K"	77.926316
"597051"	201.104008	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"3M+2K"	77.926316
"1082202"	93.010108	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2K"	77.926316
"1107027"	187.027492	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2K+H"	78.933592
"1348881"	187.115107	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+DMSO+H"	79.021207
"1019474"	191.154276	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2ACN+H"	83.060376
"1539181"	192.147908	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+IsoProp+Na+H"	84.054008
"994324"	96.080776	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+2ACN+2H"	84.067652
"1591023"	193.062528	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+K+HCOOH"	84.968628
"1426525"	223.094038	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+H+CF3COOH"	115.000138
"1159732"	116.594051	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+3ACN+2H"	125.094202
"1707460"	240.120585	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+NH4+CF3COOH"	132.026685
"1638736"	245.07598	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+Na+CF3COOH"	136.98208
"1579854"	261.04992	"C19310"	"4-Vinylcyclohexene;4-Vinyl-1-cyclohexene"	"C8H12"	"108.0939"	"M+K+CF3COOH"	152.95602
"813499"	140.0837	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M"	0
"989342"	121.06531	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-H2O-H"	-19.01839
"77464"	92.3818573333333	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M-3H"	-3.021828
"516661"	139.076424	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M-3H"	-3.021828
"892641"	45.6872906666667	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-3H"	-3.021828
"12308"	139.076424	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M-2H"	-2.014552
"449680"	209.118274	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M-2H"	-2.014552
"822015"	69.034574	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-2H"	-2.014552
"82371"	279.160124	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M-H"	-1.007276
"521931"	419.243824	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M-H"	-1.007276
"900467"	139.076424	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-H"	-1.007276
"59218"	296.186671	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M-2H+NH4"	16.019271
"491129"	436.270371	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M-2H+NH4"	16.019271
"871117"	156.102971	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-2H+NH4"	16.019271
"36831"	301.142066	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M-2H+Na"	20.974666
"480763"	441.225766	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M-2H+Na"	20.974666
"857470"	161.058366	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-2H+Na"	20.974666
"1625909"	161.058366	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Na-2H"	20.974666
"105725"	157.064763	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M-H+Cl"	33.962126
"549301"	227.106613	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M-H+Cl"	33.962126
"941243"	87.022913	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-H+Cl"	33.962126
"282753"	315.136802	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+Cl"	34.969402
"673791"	455.220502	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+Cl"	34.969402
"1287780"	175.053102	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Cl"	34.969402
"29847"	317.116006	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M-2H+K"	36.948606
"468312"	457.199706	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M-2H+K"	36.948606
"843202"	177.032306	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-2H+K"	36.948606
"1562317"	177.032306	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+K-2H"	36.948606
"949105"	185.081894	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-H+HCOOH"	44.998194
"370600"	325.165601	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+HCOOH-H"	44.998201
"353393"	339.181251	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+Hac-H"	59.013851
"1499306"	199.097551	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Hac-H"	59.013851
"965389"	207.063851	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-H+NaCOOH"	66.980151
"118672"	175.053102	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+2Cl"	69.938804
"558233"	245.094952	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+2Cl"	69.938804
"1028126"	105.011252	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2Cl"	69.938804
"1246249"	219.002585	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Br"	78.918885
"1311614"	221.058572	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Cl+HCOOH"	80.974872
"1328746"	243.040529	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Cl+NaCOOH"	102.956829
"920898"	253.069286	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M-H+CF3COOH"	112.985586
"1293232"	289.045964	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Cl+CF3COOH"	148.962264
"1377955"	105.071024	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H-2H2O"	-35.012676
"1394355"	123.081	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H-H2O"	-17.0027
"291854"	281.174676	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+H"	1.007276
"685369"	421.258376	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+H"	1.007276
"1359530"	141.090976	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H"	1.007276
"131326"	141.090976	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+2H"	2.014552
"570884"	211.132826	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+2H"	2.014552
"1045149"	71.049126	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2H"	2.014552
"208671"	94.3964093333333	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+3H"	3.021828
"648963"	141.090976	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+3H"	3.021828
"1168925"	47.7018426666667	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+3H"	3.021828
"432926"	298.201223	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+NH4"	18.033823
"791732"	438.284923	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+NH4"	18.033823
"1688065"	158.117523	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+NH4"	18.033823
"334155"	149.6042495	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+H+NH4"	19.041099
"727672"	219.6460995	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+H+NH4"	19.041099
"1477482"	79.5623995	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H+NH4"	19.041099
"395434"	303.156618	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+Na"	22.989218
"756068"	443.240318	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+Na"	22.989218
"1603919"	163.072918	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Na"	22.989218
"314679"	152.081947	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+H+Na"	23.996494
"709538"	222.123797	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+H+Na"	23.996494
"1467733"	82.040097	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H+Na"	23.996494
"1053447"	55.0291566666667	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2H+Na"	25.00377
"1263752"	173.117186	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+CH3OH+H"	33.033486
"384516"	319.130558	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+K"	38.963158
"747699"	459.214258	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+K"	38.963158
"1549751"	179.046858	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+K"	38.963158
"310937"	160.068917	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+H+K"	39.970434
"704452"	230.110767	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+H+K"	39.970434
"1456450"	90.027067	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H+K"	39.970434
"246509"	322.201226	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+ACN+H"	42.033826
"1220676"	182.117526	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+ACN+H"	42.033826
"1205653"	91.562401	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+ACN+2H"	43.041102
"198885"	325.13856	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+2Na-H"	44.97116
"638813"	465.22226	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+2Na-H"	44.97116
"1137578"	185.05486	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2Na-H"	44.97116
"181967"	163.072918	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+2Na"	45.978436
"617517"	233.114768	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+2Na"	45.978436
"1127219"	93.031068	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2Na"	45.978436
"1409652"	62.3564706666667	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H+2Na"	46.985712
"1439583"	187.096446	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H+HCOOH"	47.012746
"233651"	168.10594	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+3H2O+2H"	56.04448
"1522086"	201.14849	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+IsoProp+H"	61.06479
"422867"	171.059888	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+Na+K"	61.952376
"784225"	241.101738	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+Na+K"	61.952376
"1679462"	101.018038	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Na+K"	61.952376
"264167"	344.183168	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+ACN+Na"	64.015768
"1239063"	204.099468	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+ACN+Na"	64.015768
"1726129"	204.122993	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+NH4+HCOOH"	64.039293
"1192213"	69.6837846666667	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+3Na"	68.967654
"1659918"	209.078388	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Na+HCOOH"	68.994688
"172373"	357.08644	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+2K-H"	76.91904
"611445"	497.17014	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+2K-H"	76.91904
"1087933"	217.00274	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2K-H"	76.91904
"148761"	179.046858	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"2M+2K"	77.926316
"588323"	249.088708	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"3M+2K"	77.926316
"1077209"	109.005008	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2K"	77.926316
"1108232"	219.017292	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2K+H"	78.933592
"1349719"	219.104907	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+DMSO+H"	79.021207
"1016424"	223.144076	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2ACN+H"	83.060376
"1534548"	224.137708	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+IsoProp+Na+H"	84.054008
"991150"	112.075676	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+2ACN+2H"	84.067652
"1596601"	225.052328	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+K+HCOOH"	84.968628
"1418980"	255.083838	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+H+CF3COOH"	115.000138
"1153644"	132.588951	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+3ACN+2H"	125.094202
"1701009"	272.110385	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+NH4+CF3COOH"	132.026685
"1634345"	277.06578	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+Na+CF3COOH"	136.98208
"1579964"	293.03972	"C19311"	"4-Vinylcyclohexene diepoxide"	"C8H12O2"	"140.0837"	"M+K+CF3COOH"	152.95602
"810329"	154.0783	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M"	0
"987872"	135.05991	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-H2O-H"	-19.01839
"75387"	101.711590666667	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M-3H"	-3.021828
"517500"	153.071024	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M-3H"	-3.021828
"891656"	50.3521573333333	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-3H"	-3.021828
"13511"	153.071024	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M-2H"	-2.014552
"450884"	230.110174	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M-2H"	-2.014552
"823218"	76.031874	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-2H"	-2.014552
"84303"	307.149324	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M-H"	-1.007276
"522041"	461.227624	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M-H"	-1.007276
"896926"	153.071024	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-H"	-1.007276
"59329"	324.175871	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M-2H+NH4"	16.019271
"491603"	478.254171	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M-2H+NH4"	16.019271
"868675"	170.097571	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-2H+NH4"	16.019271
"40220"	329.131266	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M-2H+Na"	20.974666
"477593"	483.209566	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M-2H+Na"	20.974666
"856487"	175.052966	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-2H+Na"	20.974666
"1628205"	175.052966	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Na-2H"	20.974666
"99274"	171.059363	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M-H+Cl"	33.962126
"543213"	248.098513	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M-H+Cl"	33.962126
"937821"	94.020213	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-H+Cl"	33.962126
"277471"	343.126002	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+Cl"	34.969402
"670985"	497.204302	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+Cl"	34.969402
"1283391"	189.047702	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Cl"	34.969402
"22668"	345.105206	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M-2H+K"	36.948606
"465506"	499.183506	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M-2H+K"	36.948606
"839298"	191.026906	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-2H+K"	36.948606
"1561329"	191.026906	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+K-2H"	36.948606
"946296"	199.076494	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-H+HCOOH"	44.998194
"365604"	353.154801	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+HCOOH-H"	44.998201
"352038"	367.170451	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+Hac-H"	59.013851
"1497954"	213.092151	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Hac-H"	59.013851
"961853"	221.058451	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-H+NaCOOH"	66.980151
"114771"	189.047702	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+2Cl"	69.938804
"555061"	266.086852	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+2Cl"	69.938804
"1025320"	112.008552	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2Cl"	69.938804
"1244171"	232.997185	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Br"	78.918885
"1306983"	235.053172	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Cl+HCOOH"	80.974872
"1325574"	257.035129	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Cl+NaCOOH"	102.956829
"921006"	267.063886	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M-H+CF3COOH"	112.985586
"1299902"	303.040564	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Cl+CF3COOH"	148.962264
"1378794"	119.065624	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H-2H2O"	-35.012676
"1393372"	137.0756	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H-H2O"	-17.0027
"295243"	309.163876	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+H"	1.007276
"685479"	463.242176	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+H"	1.007276
"1355631"	155.085576	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H"	1.007276
"130707"	155.085576	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+2H"	2.014552
"570994"	232.124726	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+2H"	2.014552
"1041979"	78.046426	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2H"	2.014552
"206233"	103.726142666667	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+3H"	3.021828
"645794"	155.085576	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+3H"	3.021828
"1166846"	52.3667093333333	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+3H"	3.021828
"430850"	326.190423	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+NH4"	18.033823
"795125"	480.268723	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+NH4"	18.033823
"1688176"	172.112123	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+NH4"	18.033823
"333174"	163.5988495	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+H+NH4"	19.041099
"726690"	240.6379995	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+H+NH4"	19.041099
"1477388"	86.5596995	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H+NH4"	19.041099
"392858"	331.145818	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+Na"	22.989218
"755085"	485.224118	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+Na"	22.989218
"1602821"	177.067518	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Na"	22.989218
"314912"	166.076547	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+H+Na"	23.996494
"707290"	243.115697	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+H+Na"	23.996494
"1463469"	89.037397	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H+Na"	23.996494
"1052983"	59.6940233333333	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2H+Na"	25.00377
"1257104"	187.111786	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+CH3OH+H"	33.033486
"382437"	347.119758	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+K"	38.963158
"744527"	501.198058	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+K"	38.963158
"1544391"	193.041458	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+K"	38.963158
"303389"	174.063517	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+H+K"	39.970434
"699458"	251.102667	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+H+K"	39.970434
"1455466"	97.024367	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H+K"	39.970434
"242973"	350.190426	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+ACN+H"	42.033826
"1217867"	196.112126	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+ACN+H"	42.033826
"1203937"	98.559701	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+ACN+2H"	43.041102
"196809"	353.12776	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+2Na-H"	44.97116
"637463"	507.20606	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+2Na-H"	44.97116
"1134410"	199.04946	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2Na-H"	44.97116
"182077"	177.067518	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+2Na"	45.978436
"617627"	254.106668	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+2Na"	45.978436
"1127329"	100.028368	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2Na"	45.978436
"1408669"	67.0213373333333	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H+2Na"	46.985712
"1441880"	201.091046	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H+HCOOH"	47.012746
"235099"	182.10054	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+3H2O+2H"	56.04448
"1523290"	215.14309	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+IsoProp+H"	61.06479
"422247"	185.054488	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+Na+K"	61.952376
"783606"	262.093638	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+Na+K"	61.952376
"1680664"	108.015338	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Na+K"	61.952376
"266097"	372.172368	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+ACN+Na"	64.015768
"1238076"	218.094068	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+ACN+Na"	64.015768
"1723689"	218.117593	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+NH4+HCOOH"	64.039293
"1192323"	74.3486513333333	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+3Na"	68.967654
"1663308"	223.072988	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Na+HCOOH"	68.994688
"172684"	385.07564	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+2K-H"	76.91904
"612165"	539.15394	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+2K-H"	76.91904
"1099473"	230.99734	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2K-H"	76.91904
"151059"	193.041458	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"2M+2K"	77.926316
"592806"	270.080608	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"3M+2K"	77.926316
"1079505"	116.002308	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2K"	77.926316
"1110529"	233.011892	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2K+H"	78.933592
"1348978"	233.099507	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+DMSO+H"	79.021207
"1018722"	237.138676	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2ACN+H"	83.060376
"1536844"	238.132308	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+IsoProp+Na+H"	84.054008
"993813"	119.072976	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+2ACN+2H"	84.067652
"1594525"	239.046928	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+K+HCOOH"	84.968628
"1419090"	269.078438	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+H+CF3COOH"	115.000138
"1151567"	139.586251	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+3ACN+2H"	125.094202
"1701119"	286.104985	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+NH4+CF3COOH"	132.026685
"1634334"	291.06038	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+Na+CF3COOH"	136.98208
"1580074"	307.03432	"C19312"	"Acenaphthene"	"C12H10"	"154.0783"	"M+K+CF3COOH"	152.95602
"810440"	228.0939	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M"	0
"986162"	209.07551	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-H2O-H"	-19.01839
"70030"	151.055324	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M-3H"	-3.021828
"512871"	227.086624	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M-3H"	-3.021828
"886298"	75.024024	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-3H"	-3.021828
"7059"	227.086624	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M-2H"	-2.014552
"443342"	341.133574	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M-2H"	-2.014552
"818954"	113.039674	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-2H"	-2.014552
"82226"	455.180524	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M-H"	-1.007276
"521058"	683.274424	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M-H"	-1.007276
"910049"	227.086624	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-H"	-1.007276
"53975"	472.207071	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M-2H+NH4"	16.019271
"490253"	700.300971	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M-2H+NH4"	16.019271
"869148"	244.113171	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-2H+NH4"	16.019271
"34862"	477.162466	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M-2H+Na"	20.974666
"474421"	705.256366	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M-2H+Na"	20.974666
"854410"	249.068566	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-2H+Na"	20.974666
"1629417"	249.068566	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Na-2H"	20.974666
"102671"	245.074963	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M-H+Cl"	33.962126
"548793"	359.121913	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M-H+Cl"	33.962126
"942269"	131.028013	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-H+Cl"	33.962126
"282768"	491.157202	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+Cl"	34.969402
"671100"	719.251102	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+Cl"	34.969402
"1284595"	263.063302	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Cl"	34.969402
"27150"	493.136406	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M-2H+K"	36.948606
"462336"	721.230306	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M-2H+K"	36.948606
"837221"	265.042506	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-2H+K"	36.948606
"1558523"	265.042506	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+K-2H"	36.948606
"945676"	273.092094	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-H+HCOOH"	44.998194
"364985"	501.186001	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+HCOOH-H"	44.998201
"349235"	515.201651	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+Hac-H"	59.013851
"1496246"	287.107751	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Hac-H"	59.013851
"963787"	295.074051	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-H+NaCOOH"	66.980151
"114518"	263.063302	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+2Cl"	69.938804
"553713"	377.110252	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+2Cl"	69.938804
"1023606"	149.016352	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2Cl"	69.938804
"1245737"	307.012785	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Br"	78.918885
"1308184"	309.068772	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Cl+HCOOH"	80.974872
"1328963"	331.050729	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Cl+NaCOOH"	102.956829
"915284"	341.079486	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M-H+CF3COOH"	112.985586
"1293087"	377.056164	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Cl+CF3COOH"	148.962264
"1378173"	193.081224	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H-2H2O"	-35.012676
"1391295"	211.0912	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H-H2O"	-17.0027
"286243"	457.195076	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+H"	1.007276
"678298"	685.288976	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+H"	1.007276
"1354281"	229.101176	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H"	1.007276
"127898"	229.101176	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+2H"	2.014552
"567089"	343.148126	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+2H"	2.014552
"1041361"	115.054226	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2H"	2.014552
"205981"	153.069876	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+3H"	3.021828
"647738"	229.101176	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+3H"	3.021828
"1170966"	77.038576	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+3H"	3.021828
"438249"	474.221623	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+NH4"	18.033823
"791954"	702.315523	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+NH4"	18.033823
"1683183"	246.127723	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+NH4"	18.033823
"334380"	237.6144495	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+H+NH4"	19.041099
"722852"	351.6613995	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+H+NH4"	19.041099
"1478189"	123.5674995	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H+NH4"	19.041099
"394930"	479.177018	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+Na"	22.989218
"754704"	707.270918	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+Na"	22.989218
"1602795"	251.083118	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Na"	22.989218
"314615"	240.092147	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+H+Na"	23.996494
"708055"	354.139097	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+H+Na"	23.996494
"1464673"	126.045197	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H+Na"	23.996494
"1052969"	84.36589	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2H+Na"	25.00377
"1257091"	261.127386	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+CH3OH+H"	33.033486
"381454"	495.150958	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+K"	38.963158
"746824"	723.244858	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+K"	38.963158
"1549968"	267.057058	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+K"	38.963158
"309333"	248.079117	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+H+K"	39.970434
"703942"	362.126067	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+H+K"	39.970434
"1456667"	134.032167	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H+K"	39.970434
"247455"	498.221626	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+ACN+H"	42.033826
"1219070"	270.127726	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+ACN+H"	42.033826
"1204046"	135.567501	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+ACN+2H"	43.041102
"196920"	501.15896	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+2Na-H"	44.97116
"638669"	729.25286	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+2Na-H"	44.97116
"1135615"	273.06506	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2Na-H"	44.97116
"183281"	251.083118	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+2Na"	45.978436
"617373"	365.130068	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+2Na"	45.978436
"1127439"	137.036168	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2Na"	45.978436
"1406591"	91.693204	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H+2Na"	46.985712
"1439803"	275.106646	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H+HCOOH"	47.012746
"234608"	256.11614	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+3H2O+2H"	56.04448
"1517568"	289.15869	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+IsoProp+H"	61.06479
"419808"	259.070088	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+Na+K"	61.952376
"781531"	373.117038	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+Na+K"	61.952376
"1678595"	145.023138	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Na+K"	61.952376
"265479"	520.203568	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+ACN+Na"	64.015768
"1239284"	292.109668	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+ACN+Na"	64.015768
"1725983"	292.133193	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+NH4+HCOOH"	64.039293
"1194055"	99.020518	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+3Na"	68.967654
"1664512"	297.088588	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Na+HCOOH"	68.994688
"172797"	533.10684	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+2K-H"	76.91904
"602188"	761.20074	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+2K-H"	76.91904
"1094353"	305.01294	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2K-H"	76.91904
"150076"	267.057058	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"2M+2K"	77.926316
"592917"	381.104008	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"3M+2K"	77.926316
"1080710"	153.010108	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2K"	77.926316
"1109544"	307.027492	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2K+H"	78.933592
"1344833"	307.115107	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+DMSO+H"	79.021207
"1018345"	311.154276	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2ACN+H"	83.060376
"1527112"	312.147908	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+IsoProp+Na+H"	84.054008
"994665"	156.080776	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+2ACN+2H"	84.067652
"1594635"	313.062528	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+K+HCOOH"	84.968628
"1418109"	343.094038	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+H+CF3COOH"	115.000138
"1149490"	176.594051	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+3ACN+2H"	125.094202
"1701229"	360.120585	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+NH4+CF3COOH"	132.026685
"1636878"	365.07598	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+Na+CF3COOH"	136.98208
"1580185"	381.04992	"C19314"	"Acepyrene;34-Dihydrocyclopentacdpyrene"	"C18H12"	"228.0939"	"M+K+CF3COOH"	152.95602
"810550"	265.1579	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M"	0
"988339"	246.13951	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-H2O-H"	-19.01839
"70140"	175.764657333333	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M-3H"	-3.021828
"510794"	264.150624	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M-3H"	-3.021828
"888595"	87.3786906666667	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-3H"	-3.021828
"3888"	264.150624	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M-2H"	-2.014552
"443449"	396.729574	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M-2H"	-2.014552
"818333"	131.571674	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-2H"	-2.014552
"80513"	529.308524	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M-H"	-1.007276
"521168"	794.466424	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M-H"	-1.007276
"910159"	264.150624	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-H"	-1.007276
"50805"	546.335071	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M-2H+NH4"	16.019271
"491458"	811.492971	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M-2H+NH4"	16.019271
"867436"	281.177171	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-2H+NH4"	16.019271
"35336"	551.290466	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M-2H+Na"	20.974666
"474529"	816.448366	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M-2H+Na"	20.974666
"854520"	286.132566	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-2H+Na"	20.974666
"1629527"	286.132566	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Na-2H"	20.974666
"103875"	282.138963	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M-H+Cl"	33.962126
"547808"	414.717913	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M-H+Cl"	33.962126
"940229"	149.560013	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-H+Cl"	33.962126
"278786"	565.285202	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+Cl"	34.969402
"669023"	830.443102	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+Cl"	34.969402
"1281427"	300.127302	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Cl"	34.969402
"25075"	567.264406	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M-2H+K"	36.948606
"463540"	832.422306	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M-2H+K"	36.948606
"837332"	302.106506	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-2H+K"	36.948606
"1558268"	302.106506	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+K-2H"	36.948606
"947244"	310.156094	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-H+HCOOH"	44.998194
"364002"	575.314001	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+HCOOH-H"	44.998201
"348616"	589.329651	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+Hac-H"	59.013851
"1495991"	324.171751	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Hac-H"	59.013851
"964262"	332.138051	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-H+NaCOOH"	66.980151
"114264"	300.127302	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+2Cl"	69.938804
"554189"	432.706252	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+2Cl"	69.938804
"1023352"	167.548352	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2Cl"	69.938804
"1243295"	344.076785	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Br"	78.918885
"1307201"	346.132772	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Cl+HCOOH"	80.974872
"1327980"	368.114729	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Cl+NaCOOH"	102.956829
"912597"	378.143486	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M-H+CF3COOH"	112.985586
"1295747"	414.120164	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Cl+CF3COOH"	148.962264
"1371358"	230.145224	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H-2H2O"	-35.012676
"1388125"	248.1552	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H-H2O"	-17.0027
"283921"	531.323076	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+H"	1.007276
"679502"	796.480976	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+H"	1.007276
"1351993"	266.165176	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H"	1.007276
"125937"	266.165176	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+2H"	2.014552
"567201"	398.744126	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+2H"	2.014552
"1041107"	133.586226	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2H"	2.014552
"206819"	177.779209333333	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+3H"	3.021828
"647851"	266.165176	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+3H"	3.021828
"1171077"	89.3932426666667	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+3H"	3.021828
"438849"	548.349623	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+NH4"	18.033823
"795345"	813.507523	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+NH4"	18.033823
"1686208"	283.191723	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+NH4"	18.033823
"332303"	274.6784495	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+H+NH4"	19.041099
"723751"	407.2573995	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+H+NH4"	19.041099
"1478299"	142.0994995	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H+NH4"	19.041099
"393947"	553.305018	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+Na"	22.989218
"756028"	818.462918	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+Na"	22.989218
"1603639"	288.147118	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Na"	22.989218
"315134"	277.156147	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+H+Na"	23.996494
"709867"	409.735097	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+H+Na"	23.996494
"1469157"	144.577197	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H+Na"	23.996494
"1054135"	96.7205566666667	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2H+Na"	25.00377
"1257999"	298.191386	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+CH3OH+H"	33.033486
"383750"	569.278958	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+K"	38.963158
"745841"	834.436858	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+K"	38.963158
"1551901"	304.121058	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+K"	38.963158
"310173"	285.143117	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+H+K"	39.970434
"702960"	417.722067	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+H+K"	39.970434
"1457872"	152.564167	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H+K"	39.970434
"247564"	572.349626	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+ACN+H"	42.033826
"1219179"	307.191726	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+ACN+H"	42.033826
"1204157"	154.099501	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+ACN+2H"	43.041102
"197030"	575.28696	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+2Na-H"	44.97116
"634405"	840.44486	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+2Na-H"	44.97116
"1135725"	310.12906	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2Na-H"	44.97116
"187163"	288.147118	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+2Na"	45.978436
"624044"	420.726068	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+2Na"	45.978436
"1129374"	155.568168	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2Na"	45.978436
"1405608"	104.047870666667	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H+2Na"	46.985712
"1436631"	312.170646	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H+HCOOH"	47.012746
"232167"	293.18014	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+3H2O+2H"	56.04448
"1519136"	326.22269	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+IsoProp+H"	61.06479
"420283"	296.134088	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+Na+K"	61.952376
"782372"	428.713038	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+Na+K"	61.952376
"1678705"	163.555138	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Na+K"	61.952376
"263403"	594.331568	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+ACN+Na"	64.015768
"1237206"	329.173668	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+ACN+Na"	64.015768
"1723906"	329.197193	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+NH4+HCOOH"	64.039293
"1192542"	111.375184666667	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+3Na"	68.967654
"1663525"	334.152588	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Na+HCOOH"	68.994688
"171362"	607.23484	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+2K-H"	76.91904
"600106"	872.39274	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+2K-H"	76.91904
"1089360"	342.07694	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2K-H"	76.91904
"148360"	304.121058	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"2M+2K"	77.926316
"591933"	436.700008	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"3M+2K"	77.926316
"1078633"	171.542108	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2K"	77.926316
"1110748"	344.091492	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2K+H"	78.933592
"1347130"	344.179107	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+DMSO+H"	79.021207
"1018942"	348.218276	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2ACN+H"	83.060376
"1527221"	349.211908	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+IsoProp+Na+H"	84.054008
"994775"	174.612776	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+2ACN+2H"	84.067652
"1592558"	350.126528	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+K+HCOOH"	84.968628
"1418219"	380.158038	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+H+CF3COOH"	115.000138
"1148507"	195.126051	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+3ACN+2H"	125.094202
"1698058"	397.184585	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+NH4+CF3COOH"	132.026685
"1635164"	402.13998	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+Na+CF3COOH"	136.98208
"1580295"	418.11392	"C19315"	"Acridine orange;36-Bis(dimethylamino)acridine"	"C17H19N3"	"265.1579"	"M+K+CF3COOH"	152.95602
"810662"	76.008	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M"	0
"989298"	56.98961	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-H2O-H"	-19.01839
"73535"	49.664724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M-3H"	-3.021828
"505439"	75.000724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M-3H"	-3.021828
"885428"	24.328724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-3H"	-3.021828
"4001"	75.000724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M-2H"	-2.014552
"442466"	113.004724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M-2H"	-2.014552
"819541"	36.996724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-2H"	-2.014552
"79893"	151.008724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M-H"	-1.007276
"522006"	227.016724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M-H"	-1.007276
"900908"	75.000724	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-H"	-1.007276
"54199"	168.035271	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M-2H+NH4"	16.019271
"491573"	244.043271	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M-2H+NH4"	16.019271
"868281"	92.027271	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-2H+NH4"	16.019271
"33993"	172.990666	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M-2H+Na"	20.974666
"473186"	248.998666	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M-2H+Na"	20.974666
"852450"	96.982666	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-2H+Na"	20.974666
"1619550"	96.982666	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Na-2H"	20.974666
"103990"	92.989063	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M-H+Cl"	33.962126
"542456"	130.993063	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M-H+Cl"	33.962126
"935971"	54.985063	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-H+Cl"	33.962126
"276714"	186.985402	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+Cl"	34.969402
"665856"	262.993402	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+Cl"	34.969402
"1279351"	110.977402	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Cl"	34.969402
"18626"	188.964606	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M-2H+K"	36.948606
"464747"	264.972606	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M-2H+K"	36.948606
"837080"	112.956606	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-2H+K"	36.948606
"1560564"	112.956606	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+K-2H"	36.948606
"944441"	121.006194	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-H+HCOOH"	44.998194
"365572"	197.014201	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+HCOOH-H"	44.998201
"350187"	211.029851	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+Hac-H"	59.013851
"1495009"	135.021851	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Hac-H"	59.013851
"964010"	142.988151	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-H+NaCOOH"	66.980151
"111090"	110.977402	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+2Cl"	69.938804
"552475"	148.981402	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+2Cl"	69.938804
"1021639"	72.973402	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2Cl"	69.938804
"1247052"	154.926885	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Br"	78.918885
"1309866"	156.982872	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Cl+HCOOH"	80.974872
"1326998"	178.964829	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Cl+NaCOOH"	102.956829
"915505"	188.993586	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M-H+CF3COOH"	112.985586
"1292942"	224.970264	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Cl+CF3COOH"	148.962264
"1372927"	40.995324	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H-2H2O"	-35.012676
"1389331"	59.0053	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H-H2O"	-17.0027
"285006"	153.023276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+H"	1.007276
"678157"	229.031276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+H"	1.007276
"1356693"	77.015276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H"	1.007276
"131769"	77.015276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+2H"	2.014552
"574610"	115.019276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+2H"	2.014552
"1040129"	39.011276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2H"	2.014552
"209124"	51.679276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+3H"	3.021828
"651969"	77.015276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+3H"	3.021828
"1166812"	26.343276	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+3H"	3.021828
"437740"	170.049823	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+NH4"	18.033823
"791081"	246.057823	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+NH4"	18.033823
"1689599"	94.041823	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+NH4"	18.033823
"331076"	85.5285495	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+H+NH4"	19.041099
"725202"	123.5325495	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+H+NH4"	19.041099
"1478043"	47.5245495	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H+NH4"	19.041099
"394172"	175.005218	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+Na"	22.989218
"755533"	251.013218	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+Na"	22.989218
"1603631"	98.997218	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Na"	22.989218
"318650"	88.006247	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+H+Na"	23.996494
"713258"	126.010247	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+H+Na"	23.996494
"1468171"	50.002247	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H+Na"	23.996494
"1061418"	33.67059	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2H+Na"	25.00377
"1268202"	109.041486	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+CH3OH+H"	33.033486
"387139"	190.979158	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+K"	38.963158
"753241"	266.987158	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+K"	38.963158
"1548005"	114.971158	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+K"	38.963158
"309556"	95.993217	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+H+K"	39.970434
"702342"	133.997217	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+H+K"	39.970434
"1459079"	57.989217	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H+K"	39.970434
"247681"	194.049826	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+ACN+H"	42.033826
"1219296"	118.041826	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+ACN+H"	42.033826
"1205365"	59.524551	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+ACN+2H"	43.041102
"197145"	196.98716	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+2Na-H"	44.97116
"635612"	272.99516	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+2Na-H"	44.97116
"1141306"	120.97916	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2Na-H"	44.97116
"180223"	98.997218	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+2Na"	45.978436
"618691"	137.001218	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+2Na"	45.978436
"1125119"	60.993218	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2Na"	45.978436
"1408642"	40.997904	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H+2Na"	46.985712
"1442583"	123.020746	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H+HCOOH"	47.012746
"230092"	104.03024	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+3H2O+2H"	56.04448
"1513416"	137.07279	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+IsoProp+H"	61.06479
"416020"	106.984188	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+Na+K"	61.952376
"776287"	144.988188	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+Na+K"	61.952376
"1673347"	68.980188	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Na+K"	61.952376
"260961"	216.031768	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+ACN+Na"	64.015768
"1234033"	140.023768	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+ACN+Na"	64.015768
"1721830"	140.047293	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+NH4+HCOOH"	64.039293
"1189373"	48.325218	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+3Na"	68.967654
"1660356"	145.002688	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Na+HCOOH"	68.994688
"169408"	228.93504	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+2K-H"	76.91904
"598757"	304.94304	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+2K-H"	76.91904
"1088373"	152.92704	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2K-H"	76.91904
"147377"	114.971158	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"2M+2K"	77.926316
"590950"	152.975158	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"3M+2K"	77.926316
"1082024"	76.967158	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2K"	77.926316
"1111950"	154.941592	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2K+H"	78.933592
"1345053"	155.029207	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+DMSO+H"	79.021207
"1015771"	159.068376	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2ACN+H"	83.060376
"1527336"	160.062008	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+IsoProp+Na+H"	84.054008
"994885"	80.037826	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+2ACN+2H"	84.067652
"1593762"	160.976628	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+K+HCOOH"	84.968628
"1417235"	191.008138	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+H+CF3COOH"	115.000138
"1149345"	100.551101	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+3ACN+2H"	125.094202
"1708010"	208.034685	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+NH4+CF3COOH"	132.026685
"1645848"	212.99008	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+Na+CF3COOH"	136.98208
"1580405"	228.96402	"C19316"	"Allyl chloride"	"C3H5Cl"	"76.008"	"M+K+CF3COOH"	152.95602
"815148"	99.0143	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M"	0
"987584"	79.99591	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-H2O-H"	-19.01839
"75826"	65.0022573333333	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M-3H"	-3.021828
"508827"	98.007024	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M-3H"	-3.021828
"893918"	31.9974906666667	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-3H"	-3.021828
"6298"	98.007024	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M-2H"	-2.014552
"442213"	147.514174	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M-2H"	-2.014552
"818922"	48.499874	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-2H"	-2.014552
"80003"	197.021324	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M-H"	-1.007276
"519686"	296.035624	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M-H"	-1.007276
"897373"	98.007024	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-H"	-1.007276
"54309"	214.047871	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M-2H+NH4"	16.019271
"491683"	313.062171	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M-2H+NH4"	16.019271
"869484"	115.033571	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-2H+NH4"	16.019271
"35196"	219.003266	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M-2H+Na"	20.974666
"474024"	318.017566	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M-2H+Na"	20.974666
"852560"	119.988966	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-2H+Na"	20.974666
"1620387"	119.988966	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Na-2H"	20.974666
"101914"	115.995363	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M-H+Cl"	33.962126
"542566"	165.502513	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M-H+Cl"	33.962126
"934988"	66.488213	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-H+Cl"	33.962126
"274636"	232.998002	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+Cl"	34.969402
"665966"	332.012302	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+Cl"	34.969402
"1277273"	133.983702	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Cl"	34.969402
"20923"	234.977206	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M-2H+K"	36.948606
"462671"	333.991506	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M-2H+K"	36.948606
"838283"	135.962906	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-2H+K"	36.948606
"1560674"	135.962906	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+K-2H"	36.948606
"947465"	144.012494	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-H+HCOOH"	44.998194
"365681"	243.026801	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+HCOOH-H"	44.998201
"351026"	257.042451	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+Hac-H"	59.013851
"1495848"	158.028151	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Hac-H"	59.013851
"965212"	165.994451	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-H+NaCOOH"	66.980151
"110837"	133.983702	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+2Cl"	69.938804
"552585"	183.490852	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+2Cl"	69.938804
"1022842"	84.476552	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2Cl"	69.938804
"1245703"	177.933185	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Br"	78.918885
"1309611"	179.989172	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Cl+HCOOH"	80.974872
"1331117"	201.971129	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Cl+NaCOOH"	102.956829
"913792"	211.999886	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M-H+CF3COOH"	112.985586
"1291595"	247.976564	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Cl+CF3COOH"	148.962264
"1375223"	64.001624	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H-2H2O"	-35.012676
"1390532"	82.0116	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H-H2O"	-17.0027
"284749"	199.035876	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+H"	1.007276
"679360"	298.050176	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+H"	1.007276
"1354250"	100.021576	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H"	1.007276
"130786"	100.021576	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+2H"	2.014552
"571804"	149.528726	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+2H"	2.014552
"1040239"	50.514426	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2H"	2.014552
"209233"	67.0168093333333	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+3H"	3.021828
"647705"	100.021576	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+3H"	3.021828
"1165099"	34.0120426666667	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+3H"	3.021828
"431289"	216.062423	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+NH4"	18.033823
"787543"	315.076723	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+NH4"	18.033823
"1687522"	117.048123	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+NH4"	18.033823
"333616"	108.5348495	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+H+NH4"	19.041099
"723488"	158.0419995	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+H+NH4"	19.041099
"1477545"	59.0276995	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H+NH4"	19.041099
"393079"	221.017818	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+Na"	22.989218
"754464"	320.032118	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+Na"	22.989218
"1603741"	122.003518	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Na"	22.989218
"315480"	111.012547	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+H+Na"	23.996494
"712274"	160.519697	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+H+Na"	23.996494
"1465365"	61.505397	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H+Na"	23.996494
"1061528"	41.3393566666667	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2H+Na"	25.00377
"1265396"	132.047786	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+CH3OH+H"	33.033486
"387249"	236.991758	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+K"	38.963158
"749341"	336.006058	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+K"	38.963158
"1546292"	137.977458	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+K"	38.963158
"306385"	118.999517	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+H+K"	39.970434
"700991"	168.506667	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+H+K"	39.970434
"1458823"	69.492367	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H+K"	39.970434
"248883"	240.062426	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+ACN+H"	42.033826
"1218312"	141.048126	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+ACN+H"	42.033826
"1203287"	71.027701	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+ACN+2H"	43.041102
"193246"	242.99976	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+2Na-H"	44.97116
"631711"	342.01406	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+2Na-H"	44.97116
"1138864"	143.98546	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2Na-H"	44.97116
"177417"	122.003518	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+2Na"	45.978436
"620989"	171.510668	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+2Na"	45.978436
"1127779"	72.496368	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2Na"	45.978436
"1410937"	48.6666706666667	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H+2Na"	46.985712
"1441233"	146.027046	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H+HCOOH"	47.012746
"229836"	127.03654	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+3H2O+2H"	56.04448
"1515713"	160.07909	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+IsoProp+H"	61.06479
"417587"	129.990488	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+Na+K"	61.952376
"777490"	179.497638	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+Na+K"	61.952376
"1674913"	80.483338	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Na+K"	61.952376
"261071"	262.044368	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+ACN+Na"	64.015768
"1235965"	163.030068	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+ACN+Na"	64.015768
"1718661"	163.053593	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+NH4+HCOOH"	64.039293
"1190209"	55.9939846666667	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+3Na"	68.967654
"1659373"	168.008988	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Na+HCOOH"	68.994688
"167328"	274.94764	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+2K-H"	76.91904
"601785"	373.96194	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+2K-H"	76.91904
"1085931"	175.93334	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2K-H"	76.91904
"143841"	137.977458	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"2M+2K"	77.926316
"587780"	187.484608	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"3M+2K"	77.926316
"1078854"	88.470308	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2K"	77.926316
"1109871"	177.947892	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2K+H"	78.933592
"1342975"	178.035507	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+DMSO+H"	79.021207
"1013692"	182.074676	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2ACN+H"	83.060376
"1525624"	183.068308	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+IsoProp+Na+H"	84.054008
"996089"	91.540976	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+2ACN+2H"	84.067652
"1591685"	183.982928	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+K+HCOOH"	84.968628
"1416252"	214.014438	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+H+CF3COOH"	115.000138
"1149819"	112.054251	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+3ACN+2H"	125.094202
"1705933"	231.040985	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+NH4+CF3COOH"	132.026685
"1645958"	235.99638	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+Na+CF3COOH"	136.98208
"1580515"	251.97032	"C19317"	"Allyl isothiocyanate;Mustard oil"	"C4H5NS"	"99.0143"	"M+K+CF3COOH"	152.95602
"810885"	142.0994	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M"	0
"984414"	123.08101	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-H2O-H"	-19.01839
"75936"	93.7256573333333	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M-3H"	-3.021828
"507843"	141.092124	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M-3H"	-3.021828
"891112"	46.3591906666667	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-3H"	-3.021828
"6408"	141.092124	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M-2H"	-2.014552
"441225"	212.141824	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M-2H"	-2.014552
"817693"	70.042424	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-2H"	-2.014552
"80841"	283.191524	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M-H"	-1.007276
"520039"	425.290924	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M-H"	-1.007276
"897483"	141.092124	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-H"	-1.007276
"54419"	300.218071	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M-2H+NH4"	16.019271
"491793"	442.317471	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M-2H+NH4"	16.019271
"869594"	158.118671	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-2H+NH4"	16.019271
"34213"	305.173466	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M-2H+Na"	20.974666
"473766"	447.272866	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M-2H+Na"	20.974666
"855950"	163.074066	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-2H+Na"	20.974666
"1621103"	163.074066	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Na-2H"	20.974666
"104209"	159.080463	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M-H+Cl"	33.962126
"542675"	230.130163	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M-H+Cl"	33.962126
"937285"	88.030763	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-H+Cl"	33.962126
"275841"	319.168202	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+Cl"	34.969402
"666076"	461.267602	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+Cl"	34.969402
"1278476"	177.068802	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Cl"	34.969402
"23221"	321.147406	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M-2H+K"	36.948606
"464968"	463.246806	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M-2H+K"	36.948606
"837300"	179.048006	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-2H+K"	36.948606
"1560784"	179.048006	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+K-2H"	36.948606
"947578"	187.097594	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-H+HCOOH"	44.998194
"363605"	329.197001	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+HCOOH-H"	44.998201
"352229"	343.212651	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+Hac-H"	59.013851
"1496687"	201.113251	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Hac-H"	59.013851
"964958"	209.079551	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-H+NaCOOH"	66.980151
"116416"	177.068802	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+2Cl"	69.938804
"552330"	248.118502	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+2Cl"	69.938804
"1022952"	106.019102	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2Cl"	69.938804
"1247270"	221.018285	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Br"	78.918885
"1310085"	223.074272	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Cl+HCOOH"	80.974872
"1331591"	245.056229	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Cl+NaCOOH"	102.956829
"912808"	255.084986	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M-H+CF3COOH"	112.985586
"1292069"	291.061664	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Cl+CF3COOH"	148.962264
"1373147"	107.086724	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H-2H2O"	-35.012676
"1390643"	125.0967	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H-H2O"	-17.0027
"288142"	285.206076	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+H"	1.007276
"682750"	427.305476	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+H"	1.007276
"1356913"	143.106676	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H"	1.007276
"129802"	143.106676	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+2H"	2.014552
"573736"	214.156376	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+2H"	2.014552
"1038890"	72.056976	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2H"	2.014552
"208250"	95.7402093333333	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+3H"	3.021828
"646356"	143.106676	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+3H"	3.021828
"1164847"	48.3737426666667	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+3H"	3.021828
"428120"	302.232623	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+NH4"	18.033823
"788020"	444.332023	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+NH4"	18.033823
"1687632"	160.133223	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+NH4"	18.033823
"335913"	151.6199495	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+H+NH4"	19.041099
"723355"	222.6696495	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+H+NH4"	19.041099
"1477025"	80.5702495	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H+NH4"	19.041099
"392892"	307.188018	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+Na"	22.989218
"755267"	449.287418	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+Na"	22.989218
"1605187"	165.088618	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Na"	22.989218
"314451"	154.097647	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+H+Na"	23.996494
"711291"	225.147347	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+H+Na"	23.996494
"1465475"	83.047947	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H+Na"	23.996494
"1060545"	55.7010566666667	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2H+Na"	25.00377
"1262226"	175.132886	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+CH3OH+H"	33.033486
"387360"	323.161958	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+K"	38.963158
"749451"	465.261358	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+K"	38.963158
"1545309"	181.062558	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+K"	38.963158
"306495"	162.084617	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+H+K"	39.970434
"704019"	233.134317	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+H+K"	39.970434
"1457476"	91.034917	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H+K"	39.970434
"248265"	326.232626	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+ACN+H"	42.033826
"1218423"	184.133226	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+ACN+H"	42.033826
"1204491"	92.570251	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+ACN+2H"	43.041102
"196269"	329.16996	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+2Na-H"	44.97116
"632550"	471.26936	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+2Na-H"	44.97116
"1137152"	187.07056	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2Na-H"	44.97116
"178256"	165.088618	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+2Na"	45.978436
"615387"	236.138318	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+2Na"	45.978436
"1127162"	94.038918	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2Na"	45.978436
"1411049"	63.0283706666667	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H+2Na"	46.985712
"1439884"	189.112146	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H+HCOOH"	47.012746
"233592"	170.12164	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+3H2O+2H"	56.04448
"1513636"	203.16419	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+IsoProp+H"	61.06479
"417697"	173.075588	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+Na+K"	61.952376
"778694"	244.125288	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+Na+K"	61.952376
"1675025"	102.025888	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Na+K"	61.952376
"262276"	348.214568	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+ACN+Na"	64.015768
"1235346"	206.115168	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+ACN+Na"	64.015768
"1722046"	206.138693	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+NH4+HCOOH"	64.039293
"1189588"	70.3556846666667	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+3Na"	68.967654
"1657294"	211.094088	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Na+HCOOH"	68.994688
"166342"	361.11784	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+2K-H"	76.91904
"602261"	503.21724	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+2K-H"	76.91904
"1093701"	219.01844	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2K-H"	76.91904
"144317"	181.062558	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"2M+2K"	77.926316
"590077"	252.112258	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"3M+2K"	77.926316
"1081151"	110.012858	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2K"	77.926316
"1108887"	221.032992	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2K+H"	78.933592
"1341991"	221.120607	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+DMSO+H"	79.021207
"1009792"	225.159776	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2ACN+H"	83.060376
"1525734"	226.153408	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+IsoProp+Na+H"	84.054008
"997293"	113.083526	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+2ACN+2H"	84.067652
"1591795"	227.068028	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+K+HCOOH"	84.968628
"1418550"	257.099538	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+H+CF3COOH"	115.000138
"1148834"	133.596801	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+3ACN+2H"	125.094202
"1706043"	274.126085	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+NH4+CF3COOH"	132.026685
"1646068"	279.08148	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+Na+CF3COOH"	136.98208
"1580625"	295.05542	"C19318"	"Allyl isovalerate"	"C8H14O2"	"142.0994"	"M+K+CF3COOH"	152.95602
"816098"	169.0891	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M"	0
"984524"	150.07071	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-H2O-H"	-19.01839
"73860"	111.718790666667	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M-3H"	-3.021828
"516701"	168.081824	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M-3H"	-3.021828
"894503"	55.3557573333333	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-3H"	-3.021828
"6517"	168.081824	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M-2H"	-2.014552
"440205"	252.626374	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M-2H"	-2.014552
"818776"	83.537274	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-2H"	-2.014552
"80950"	337.170924	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M-H"	-1.007276
"520877"	506.260024	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M-H"	-1.007276
"896858"	168.081824	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-H"	-1.007276
"54529"	354.197471	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M-2H+NH4"	16.019271
"494089"	523.286571	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M-2H+NH4"	16.019271
"869704"	185.108371	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-2H+NH4"	16.019271
"32013"	359.152866	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M-2H+Na"	20.974666
"472181"	528.241966	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M-2H+Na"	20.974666
"854967"	190.063766	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-2H+Na"	20.974666
"1620125"	190.063766	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Na-2H"	20.974666
"107599"	186.070163	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M-H+Cl"	33.962126
"542785"	270.614713	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M-H+Cl"	33.962126
"937394"	101.525613	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-H+Cl"	33.962126
"274856"	373.147602	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+Cl"	34.969402
"663997"	542.236702	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+Cl"	34.969402
"1277493"	204.058502	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Cl"	34.969402
"21144"	375.126806	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M-2H+K"	36.948606
"463984"	544.215906	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M-2H+K"	36.948606
"835223"	206.037706	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-2H+K"	36.948606
"1560895"	206.037706	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+K-2H"	36.948606
"946595"	214.087294	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-H+HCOOH"	44.998194
"364079"	383.176401	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+HCOOH-H"	44.998201
"349059"	397.192051	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+Hac-H"	59.013851
"1493881"	228.102951	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Hac-H"	59.013851
"962516"	236.069251	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-H+NaCOOH"	66.980151
"115433"	204.058502	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+2Cl"	69.938804
"551712"	288.603052	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+2Cl"	69.938804
"1025614"	119.513952	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2Cl"	69.938804
"1246652"	248.007985	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Br"	78.918885
"1308738"	250.063972	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Cl+HCOOH"	80.974872
"1331702"	272.045929	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Cl+NaCOOH"	102.956829
"914376"	282.074686	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M-H+CF3COOH"	112.985586
"1291815"	318.051364	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Cl+CF3COOH"	148.962264
"1374351"	134.076424	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H-2H2O"	-35.012676
"1386380"	152.0864	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H-H2O"	-17.0027
"291532"	339.185476	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+H"	1.007276
"682862"	508.274576	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+H"	1.007276
"1358116"	170.096376	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H"	1.007276
"131005"	170.096376	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+2H"	2.014552
"572753"	254.640926	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+2H"	2.014552
"1039729"	85.551826	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2H"	2.014552
"208360"	113.733342666667	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+3H"	3.021828
"651206"	170.096376	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+3H"	3.021828
"1166051"	57.3703093333333	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+3H"	3.021828
"429324"	356.212023	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+NH4"	18.033823
"790319"	525.301123	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+NH4"	18.033823
"1686650"	187.122923	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+NH4"	18.033823
"331281"	178.6096495	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+H+NH4"	19.041099
"724075"	263.1541995	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+H+NH4"	19.041099
"1477270"	94.0650995	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H+NH4"	19.041099
"392952"	361.167418	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+Na"	22.989218
"754682"	530.256518	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+Na"	22.989218
"1602941"	192.078318	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Na"	22.989218
"314510"	181.087347	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+H+Na"	23.996494
"707261"	265.631897	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+H+Na"	23.996494
"1461526"	96.542797	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H+Na"	23.996494
"1053114"	64.6976233333333	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2H+Na"	25.00377
"1257112"	202.122586	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+CH3OH+H"	33.033486
"384189"	377.141358	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+K"	38.963158
"744093"	546.230458	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+K"	38.963158
"1541774"	208.052258	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+K"	38.963158
"303325"	189.074317	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+H+K"	39.970434
"699026"	273.618867	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+H+K"	39.970434
"1455400"	104.529767	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H+K"	39.970434
"244366"	380.212026	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+ACN+H"	42.033826
"1217438"	211.122926	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+ACN+H"	42.033826
"1202414"	106.065101	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+ACN+2H"	43.041102
"192004"	383.14936	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+2Na-H"	44.97116
"630834"	552.23846	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+2Na-H"	44.97116
"1132640"	214.06026	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2Na-H"	44.97116
"174352"	192.078318	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+2Na"	45.978436
"615496"	276.622868	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+2Na"	45.978436
"1125811"	107.533768	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2Na"	45.978436
"1410795"	72.0249373333333	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H+2Na"	46.985712
"1439630"	216.101846	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H+HCOOH"	47.012746
"221789"	197.11134	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+3H2O+2H"	56.04448
"1517026"	230.15389	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+IsoProp+H"	61.06479
"418901"	200.065288	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+Na+K"	61.952376
"779897"	284.609838	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+Na+K"	61.952376
"1676229"	115.520738	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Na+K"	61.952376
"261656"	402.193968	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+ACN+Na"	64.015768
"1234363"	233.104868	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+ACN+Na"	64.015768
"1723249"	233.128393	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+NH4+HCOOH"	64.039293
"1189698"	79.3522513333333	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+3Na"	68.967654
"1657404"	238.083788	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Na+HCOOH"	68.994688
"166452"	415.09724	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+2K-H"	76.91904
"607111"	584.18634	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+2K-H"	76.91904
"1090530"	246.00814	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2K-H"	76.91904
"146250"	208.052258	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"2M+2K"	77.926316
"591281"	292.596808	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"3M+2K"	77.926316
"1080896"	123.507708	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2K"	77.926316
"1110091"	248.022692	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2K+H"	78.933592
"1341008"	248.110307	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+DMSO+H"	79.021207
"1010632"	252.149476	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2ACN+H"	83.060376
"1525480"	253.143108	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+IsoProp+Na+H"	84.054008
"999590"	126.578376	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+2ACN+2H"	84.067652
"1589719"	254.057728	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+K+HCOOH"	84.968628
"1420847"	284.089238	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+H+CF3COOH"	115.000138
"1148215"	147.091651	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+3ACN+2H"	125.094202
"1706153"	301.115785	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+NH4+CF3COOH"	132.026685
"1646178"	306.07118	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+Na+CF3COOH"	136.98208
"1580735"	322.04512	"C19319"	"5-Aminoacenaphthene;5-Acenaphthenamine"	"C12H11N"	"169.0891"	"M+K+CF3COOH"	152.95602
"813291"	237.079	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M"	0
"984634"	218.06061	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-H2O-H"	-19.01839
"71782"	157.045390666667	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M-3H"	-3.021828
"516811"	236.071724	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M-3H"	-3.021828
"892426"	78.0190573333333	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-3H"	-3.021828
"6628"	236.071724	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M-2H"	-2.014552
"441815"	354.611224	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M-2H"	-2.014552
"819615"	117.532224	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-2H"	-2.014552
"80698"	473.150724	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M-H"	-1.007276
"522810"	710.229724	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M-H"	-1.007276
"897333"	236.071724	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-H"	-1.007276
"54639"	490.177271	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M-2H+NH4"	16.019271
"493106"	727.256271	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M-2H+NH4"	16.019271
"873094"	253.098271	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-2H+NH4"	16.019271
"33339"	495.132666	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M-2H+Na"	20.974666
"472898"	732.211666	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M-2H+Na"	20.974666
"856170"	258.053666	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-2H+Na"	20.974666
"1621328"	258.053666	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Na-2H"	20.974666
"105523"	254.060063	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M-H+Cl"	33.962126
"543625"	372.599563	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M-H+Cl"	33.962126
"937505"	135.520563	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-H+Cl"	33.962126
"272782"	509.127402	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+Cl"	34.969402
"664109"	746.206402	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+Cl"	34.969402
"1280522"	272.048402	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Cl"	34.969402
"23443"	511.106606	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M-2H+K"	36.948606
"464095"	748.185606	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M-2H+K"	36.948606
"838615"	274.027606	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-2H+K"	36.948606
"1558820"	274.027606	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+K-2H"	36.948606
"951078"	282.077194	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-H+HCOOH"	44.998194
"367108"	519.156201	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+HCOOH-H"	44.998201
"353180"	533.171851	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+Hac-H"	59.013851
"1500918"	296.092851	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Hac-H"	59.013851
"964085"	304.059151	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-H+NaCOOH"	66.980151
"112993"	272.048402	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+2Cl"	69.938804
"551094"	390.587902	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+2Cl"	69.938804
"1026821"	153.508902	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2Cl"	69.938804
"1244578"	315.997885	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Br"	78.918885
"1311036"	318.053872	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Cl+HCOOH"	80.974872
"1322336"	340.035829	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Cl+NaCOOH"	102.956829
"913030"	350.064586	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M-H+CF3COOH"	112.985586
"1295205"	386.041264	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Cl+CF3COOH"	148.962264
"1377741"	202.066324	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H-2H2O"	-35.012676
"1383937"	220.0763	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H-H2O"	-17.0027
"285446"	475.165276	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+H"	1.007276
"679691"	712.244276	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+H"	1.007276
"1354947"	238.086276	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H"	1.007276
"133303"	238.086276	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+2H"	2.014552
"571768"	356.625776	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+2H"	2.014552
"1038379"	119.546776	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2H"	2.014552
"210656"	159.059942666667	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+3H"	3.021828
"653503"	238.086276	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+3H"	3.021828
"1164338"	80.0336093333333	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+3H"	3.021828
"431620"	492.191823	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+NH4"	18.033823
"791522"	729.270823	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+NH4"	18.033823
"1690039"	255.112823	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+NH4"	18.033823
"333213"	246.5995495	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+H+NH4"	19.041099
"727466"	365.1390495	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+H+NH4"	19.041099
"1477506"	128.0600495	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H+NH4"	19.041099
"393024"	497.147218	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+Na"	22.989218
"754794"	734.226218	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+Na"	22.989218
"1603092"	260.068218	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Na"	22.989218
"314548"	249.077247	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+H+Na"	23.996494
"707616"	367.616747	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+H+Na"	23.996494
"1463144"	130.537747	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H+Na"	23.996494
"1053473"	87.3609233333333	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2H+Na"	25.00377
"1259163"	270.112486	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+CH3OH+H"	33.033486
"383207"	513.121158	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+K"	38.963158
"739463"	750.200158	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+K"	38.963158
"1542613"	276.042158	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+K"	38.963158
"301612"	257.064217	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+H+K"	39.970434
"699134"	375.603717	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+H+K"	39.970434
"1454051"	138.524717	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H+K"	39.970434
"244840"	516.191826	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+ACN+H"	42.033826
"1217549"	279.112826	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+ACN+H"	42.033826
"1201430"	140.060051	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+ACN+2H"	43.041102
"191021"	519.12916	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+2Na-H"	44.97116
"631674"	756.20816	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+2Na-H"	44.97116
"1132266"	282.05016	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2Na-H"	44.97116
"175923"	260.068218	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+2Na"	45.978436
"615121"	378.607718	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+2Na"	45.978436
"1127014"	141.528718	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2Na"	45.978436
"1405070"	94.6882373333333	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H+2Na"	46.985712
"1440466"	284.091746	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H+HCOOH"	47.012746
"223600"	265.10124	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+3H2O+2H"	56.04448
"1516042"	298.14379	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+IsoProp+H"	61.06479
"416824"	268.055188	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+Na+K"	61.952376
"780007"	386.594688	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+Na+K"	61.952376
"1673058"	149.515688	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Na+K"	61.952376
"260672"	538.173768	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+ACN+Na"	64.015768
"1233380"	301.094768	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+ACN+Na"	64.015768
"1723359"	301.118293	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+NH4+HCOOH"	64.039293
"1189808"	102.015551333333	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+3Na"	68.967654
"1661889"	306.073688	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Na+HCOOH"	68.994688
"166562"	551.07704	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+2K-H"	76.91904
"607219"	788.15604	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+2K-H"	76.91904
"1095014"	313.99804	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2K-H"	76.91904
"148550"	276.042158	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"2M+2K"	77.926316
"590296"	394.581658	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"3M+2K"	77.926316
"1079182"	157.502658	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2K"	77.926316
"1109108"	316.012592	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2K+H"	78.933592
"1340025"	316.100207	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+DMSO+H"	79.021207
"1010013"	320.139376	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2ACN+H"	83.060376
"1525225"	321.133008	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+IsoProp+Na+H"	84.054008
"998607"	160.573326	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+2ACN+2H"	84.067652
"1593109"	322.047628	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+K+HCOOH"	84.968628
"1420957"	352.079138	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+H+CF3COOH"	115.000138
"1149420"	181.086601	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+3ACN+2H"	125.094202
"1701889"	369.105685	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+NH4+CF3COOH"	132.026685
"1639727"	374.06108	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+Na+CF3COOH"	136.98208
"1584125"	390.03502	"C19320"	"1-Amino-2-methylanthraquinone"	"C15H11NO2"	"237.079"	"M+K+CF3COOH"	152.95602
"817014"	154.0378	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M"	0
"988024"	135.01941	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H2O-H"	-19.01839
"76266"	101.684590666667	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-3H"	-3.021828
"517895"	153.030524	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-3H"	-3.021828
"895376"	50.3386573333333	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-3H"	-3.021828
"6737"	153.030524	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H"	-2.014552
"445206"	230.049424	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H"	-2.014552
"821912"	76.011624	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H"	-2.014552
"82267"	307.068324	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-H"	-1.007276
"524744"	461.106124	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-H"	-1.007276
"897929"	153.030524	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H"	-1.007276
"61305"	324.094871	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+NH4"	16.019271
"496497"	478.132671	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+NH4"	16.019271
"873204"	170.057071	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+NH4"	16.019271
"36729"	329.050266	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+Na"	20.974666
"476288"	483.088066	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+Na"	20.974666
"856280"	175.012466	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+Na"	20.974666
"1623625"	175.012466	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na-2H"	20.974666
"105269"	171.018863	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-H+Cl"	33.962126
"545923"	248.037763	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-H+Cl"	33.962126
"937614"	93.999963	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+Cl"	33.962126
"271797"	343.045002	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Cl"	34.969402
"668594"	497.082802	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Cl"	34.969402
"1279538"	189.007202	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl"	34.969402
"20270"	345.024206	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+K"	36.948606
"462018"	499.062006	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+K"	36.948606
"838725"	190.986406	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+K"	36.948606
"1561116"	190.986406	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K-2H"	36.948606
"951188"	199.035994	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+HCOOH"	44.998194
"365760"	353.073801	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+HCOOH-H"	44.998201
"351102"	367.089451	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Hac-H"	59.013851
"1498476"	213.051651	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Hac-H"	59.013851
"966383"	221.017951	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+NaCOOH"	66.980151
"114196"	189.007202	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Cl"	69.938804
"555216"	266.026102	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Cl"	69.938804
"1025472"	111.988302	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Cl"	69.938804
"1249792"	232.956685	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Br"	78.918885
"1310053"	235.012672	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+HCOOH"	80.974872
"1325727"	256.994629	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+NaCOOH"	102.956829
"915327"	267.023386	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+CF3COOH"	112.985586
"1298595"	303.000064	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+CF3COOH"	148.962264
"1377852"	119.025124	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H-2H2O"	-35.012676
"1386965"	137.0351	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H-H2O"	-17.0027
"285919"	309.082876	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H"	1.007276
"683080"	463.120676	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H"	1.007276
"1356150"	155.045076	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H"	1.007276
"133413"	155.045076	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2H"	2.014552
"566410"	232.063976	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2H"	2.014552
"1039584"	78.026176	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2H"	2.014552
"207486"	103.699142666667	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+3H"	3.021828
"652521"	155.045076	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+3H"	3.021828
"1170647"	52.3532093333333	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3H"	3.021828
"433919"	326.109423	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+NH4"	18.033823
"795644"	480.147223	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+NH4"	18.033823
"1693431"	172.071623	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4"	18.033823
"338427"	163.5583495	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+NH4"	19.041099
"727576"	240.5772495	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+NH4"	19.041099
"1477986"	86.5394495	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+NH4"	19.041099
"393628"	331.064818	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Na"	22.989218
"756327"	485.102618	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Na"	22.989218
"1603084"	177.027018	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na"	22.989218
"314620"	166.036047	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+Na"	23.996494
"707146"	243.054947	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+Na"	23.996494
"1464347"	89.017147	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+Na"	23.996494
"1054313"	59.6805233333333	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2H+Na"	25.00377
"1260368"	187.071286	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+CH3OH+H"	33.033486
"381132"	347.038758	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+K"	38.963158
"741033"	501.076558	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+K"	38.963158
"1542360"	193.000958	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K"	38.963158
"301358"	174.023017	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+K"	39.970434
"698152"	251.041917	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+K"	39.970434
"1456348"	97.004117	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+K"	39.970434
"247137"	350.109426	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+ACN+H"	42.033826
"1218752"	196.071626	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+H"	42.033826
"1201541"	98.539451	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+2H"	43.041102
"191495"	353.04676	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Na-H"	44.97116
"632879"	507.08456	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Na-H"	44.97116
"1135292"	199.00896	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Na-H"	44.97116
"177124"	177.027018	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Na"	45.978436
"615227"	254.045918	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Na"	45.978436
"1129190"	100.008118	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Na"	45.978436
"1405180"	67.0078373333333	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+2Na"	46.985712
"1434016"	201.050546	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+HCOOH"	47.012746
"222617"	182.06004	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+3H2O+2H"	56.04448
"1519433"	215.10259	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+IsoProp+H"	61.06479
"421672"	185.013988	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Na+K"	61.952376
"779021"	262.032888	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Na+K"	61.952376
"1677539"	107.995088	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+K"	61.952376
"261875"	372.091368	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+ACN+Na"	64.015768
"1235676"	218.053568	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+Na"	64.015768
"1725657"	218.077093	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4+HCOOH"	64.039293
"1192105"	74.3351513333333	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3Na"	68.967654
"1663092"	223.032488	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+HCOOH"	68.994688
"166672"	384.99464	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2K-H"	76.91904
"609514"	539.03244	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2K-H"	76.91904
"1098281"	230.95684	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K-H"	76.91904
"153031"	193.000958	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2K"	77.926316
"596238"	270.019858	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2K"	77.926316
"1079291"	115.982058	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K"	77.926316
"1107031"	232.971392	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K+H"	78.933592
"1342323"	233.059007	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+DMSO+H"	79.021207
"1010851"	237.098176	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2ACN+H"	83.060376
"1526426"	238.091808	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+IsoProp+Na+H"	84.054008
"996530"	119.052726	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2ACN+2H"	84.067652
"1593219"	239.006428	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K+HCOOH"	84.968628
"1414628"	269.037938	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+CF3COOH"	115.000138
"1151352"	139.566001	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3ACN+2H"	125.094202
"1701999"	286.064485	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4+CF3COOH"	132.026685
"1639837"	291.01988	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+CF3COOH"	136.98208
"1584235"	306.99382	"C19321"	"2-Amino-4-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K+CF3COOH"	152.95602
"814604"	154.0378	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M"	0
"981574"	135.01941	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H2O-H"	-19.01839
"72003"	101.684590666667	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-3H"	-3.021828
"515938"	153.030524	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-3H"	-3.021828
"894106"	50.3386573333333	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-3H"	-3.021828
"6847"	153.030524	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H"	-2.014552
"440940"	230.049424	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H"	-2.014552
"820199"	76.011624	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H"	-2.014552
"81283"	307.068324	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-H"	-1.007276
"521571"	461.106124	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-H"	-1.007276
"897553"	153.030524	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H"	-1.007276
"61415"	324.094871	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+NH4"	16.019271
"498787"	478.132671	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+NH4"	16.019271
"870035"	170.057071	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+NH4"	16.019271
"39026"	329.050266	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+Na"	20.974666
"476399"	483.088066	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+Na"	20.974666
"859670"	175.012466	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+Na"	20.974666
"1622641"	175.012466	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na-2H"	20.974666
"104650"	171.018863	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-H+Cl"	33.962126
"545303"	248.037763	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-H+Cl"	33.962126
"935536"	93.999963	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+Cl"	33.962126
"271907"	343.045002	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Cl"	34.969402
"666516"	497.082802	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Cl"	34.969402
"1280741"	189.007202	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl"	34.969402
"19651"	345.024206	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+K"	36.948606
"462128"	499.062006	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+K"	36.948606
"838835"	190.986406	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+K"	36.948606
"1559042"	190.986406	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K-2H"	36.948606
"950205"	199.035994	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+HCOOH"	44.998194
"368423"	353.073801	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+HCOOH-H"	44.998201
"356317"	367.089451	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Hac-H"	59.013851
"1497493"	213.051651	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Hac-H"	59.013851
"966493"	221.017951	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+NaCOOH"	66.980151
"118682"	189.007202	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Cl"	69.938804
"557514"	266.026102	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Cl"	69.938804
"1024489"	111.988302	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Cl"	69.938804
"1250995"	232.956685	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Br"	78.918885
"1308339"	235.012672	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+HCOOH"	80.974872
"1327660"	256.994629	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+NaCOOH"	102.956829
"918718"	267.023386	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+CF3COOH"	112.985586
"1298707"	303.000064	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+CF3COOH"	148.962264
"1373588"	119.025124	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H-2H2O"	-35.012676
"1390357"	137.0351	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H-H2O"	-17.0027
"288585"	309.082876	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H"	1.007276
"684285"	463.120676	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H"	1.007276
"1354076"	155.045076	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H"	1.007276
"128786"	155.045076	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2H"	2.014552
"568709"	232.063976	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2H"	2.014552
"1040059"	78.026176	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2H"	2.014552
"211970"	103.699142666667	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+3H"	3.021828
"653724"	155.045076	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+3H"	3.021828
"1170758"	52.3532093333333	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3H"	3.021828
"434029"	326.109423	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+NH4"	18.033823
"793933"	480.147223	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+NH4"	18.033823
"1693542"	172.071623	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4"	18.033823
"339631"	163.5583495	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+NH4"	19.041099
"729867"	240.5772495	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+NH4"	19.041099
"1481501"	86.5394495	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+NH4"	19.041099
"399087"	331.064818	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Na"	22.989218
"758988"	485.102618	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Na"	22.989218
"1604534"	177.027018	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na"	22.989218
"315665"	166.036047	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+Na"	23.996494
"708817"	243.054947	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+Na"	23.996494
"1463729"	89.017147	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+Na"	23.996494
"1056609"	59.6805233333333	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2H+Na"	25.00377
"1262667"	187.071286	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+CH3OH+H"	33.033486
"382335"	347.038758	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+K"	38.963158
"746613"	501.076558	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+K"	38.963158
"1545386"	193.000958	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K"	38.963158
"303655"	174.023017	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+K"	39.970434
"697168"	251.041917	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+K"	39.970434
"1456458"	97.004117	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+K"	39.970434
"247247"	350.109426	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+ACN+H"	42.033826
"1218864"	196.071626	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+H"	42.033826
"1202743"	98.539451	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+2H"	43.041102
"193429"	353.04676	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Na-H"	44.97116
"632989"	507.08456	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Na-H"	44.97116
"1137589"	199.00896	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Na-H"	44.97116
"177962"	177.027018	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Na"	45.978436
"616065"	254.045918	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Na"	45.978436
"1128327"	100.008118	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Na"	45.978436
"1405290"	67.0078373333333	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+2Na"	46.985712
"1434126"	201.050546	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+HCOOH"	47.012746
"223091"	182.06004	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+3H2O+2H"	56.04448
"1518449"	215.10259	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+IsoProp+H"	61.06479
"418136"	185.013988	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Na+K"	61.952376
"776944"	262.032888	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Na+K"	61.952376
"1673275"	107.995088	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+K"	61.952376
"261985"	372.091368	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+ACN+Na"	64.015768
"1233600"	218.053568	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+Na"	64.015768
"1722485"	218.077093	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4+HCOOH"	64.039293
"1191122"	74.3351513333333	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3Na"	68.967654
"1657734"	223.032488	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+HCOOH"	68.994688
"164595"	384.99464	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2K-H"	76.91904
"609624"	539.03244	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2K-H"	76.91904
"1095232"	230.95684	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K-H"	76.91904
"149861"	193.000958	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2K"	77.926316
"588327"	270.019858	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2K"	77.926316
"1076119"	115.982058	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K"	77.926316
"1106047"	232.971392	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K+H"	78.933592
"1341339"	233.059007	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+DMSO+H"	79.021207
"1013147"	237.098176	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2ACN+H"	83.060376
"1526170"	238.091808	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+IsoProp+Na+H"	84.054008
"994441"	119.052726	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2ACN+2H"	84.067652
"1590044"	239.006428	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K+HCOOH"	84.968628
"1417897"	269.037938	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+CF3COOH"	115.000138
"1148547"	139.566001	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3ACN+2H"	125.094202
"1702109"	286.064485	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4+CF3COOH"	132.026685
"1636667"	291.01988	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+CF3COOH"	136.98208
"1584345"	306.99382	"C19322"	"2-Amino-5-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K+CF3COOH"	152.95602
"813621"	154.0378	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M"	0
"984964"	135.01941	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H2O-H"	-19.01839
"71020"	101.684590666667	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-3H"	-3.021828
"516778"	153.030524	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-3H"	-3.021828
"892758"	50.3386573333333	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-3H"	-3.021828
"6958"	153.030524	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H"	-2.014552
"447611"	230.049424	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H"	-2.014552
"818121"	76.011624	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H"	-2.014552
"81395"	307.068324	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-H"	-1.007276
"520590"	461.106124	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-H"	-1.007276
"897665"	153.030524	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H"	-1.007276
"60432"	324.094871	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+NH4"	16.019271
"492337"	478.132671	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+NH4"	16.019271
"871239"	170.057071	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+NH4"	16.019271
"40229"	329.050266	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+Na"	20.974666
"476508"	483.088066	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+Na"	20.974666
"858687"	175.012466	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+Na"	20.974666
"1620564"	175.012466	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na-2H"	20.974666
"102573"	171.018863	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-H+Cl"	33.962126
"544320"	248.037763	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-H+Cl"	33.962126
"935649"	93.999963	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+Cl"	33.962126
"273112"	343.045002	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Cl"	34.969402
"665532"	497.082802	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Cl"	34.969402
"1281215"	189.007202	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl"	34.969402
"21584"	345.024206	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M-2H+K"	36.948606
"461144"	499.062006	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M-2H+K"	36.948606
"837852"	190.986406	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-2H+K"	36.948606
"1558787"	190.986406	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K-2H"	36.948606
"948129"	199.035994	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+HCOOH"	44.998194
"367440"	353.073801	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+HCOOH-H"	44.998201
"353511"	367.089451	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Hac-H"	59.013851
"1495779"	213.051651	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Hac-H"	59.013851
"964051"	221.017951	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+NaCOOH"	66.980151
"118792"	189.007202	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Cl"	69.938804
"554708"	266.026102	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Cl"	69.938804
"1027151"	111.988302	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Cl"	69.938804
"1250012"	232.956685	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Br"	78.918885
"1308450"	235.012672	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+HCOOH"	80.974872
"1329957"	256.994629	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+NaCOOH"	102.956829
"916641"	267.023386	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M-H+CF3COOH"	112.985586
"1297723"	303.000064	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Cl+CF3COOH"	148.962264
"1372969"	119.025124	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H-2H2O"	-35.012676
"1390467"	137.0351	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H-H2O"	-17.0027
"289790"	309.082876	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H"	1.007276
"682208"	463.120676	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H"	1.007276
"1355644"	155.045076	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H"	1.007276
"130720"	155.045076	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2H"	2.014552
"567728"	232.063976	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2H"	2.014552
"1040899"	78.026176	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2H"	2.014552
"209894"	103.699142666667	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+3H"	3.021828
"649461"	155.045076	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+3H"	3.021828
"1169774"	52.3532093333333	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3H"	3.021828
"433046"	326.109423	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+NH4"	18.033823
"794042"	480.147223	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+NH4"	18.033823
"1691466"	172.071623	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4"	18.033823
"339743"	163.5583495	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+NH4"	19.041099
"729978"	240.5772495	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+NH4"	19.041099
"1484891"	86.5394495	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+NH4"	19.041099
"399198"	331.064818	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Na"	22.989218
"758007"	485.102618	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Na"	22.989218
"1605739"	177.027018	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na"	22.989218
"315047"	166.036047	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+Na"	23.996494
"709291"	243.054947	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+Na"	23.996494
"1465661"	89.017147	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+Na"	23.996494
"1056355"	59.6805233333333	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2H+Na"	25.00377
"1264963"	187.071286	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+CH3OH+H"	33.033486
"383538"	347.038758	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+K"	38.963158
"745630"	501.076558	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+K"	38.963158
"1545860"	193.000958	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K"	38.963158
"304858"	174.023017	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+H+K"	39.970434
"698371"	251.041917	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+H+K"	39.970434
"1457661"	97.004117	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+K"	39.970434
"246263"	350.109426	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+ACN+H"	42.033826
"1216785"	196.071626	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+H"	42.033826
"1199574"	98.539451	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+2H"	43.041102
"192444"	353.04676	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Na-H"	44.97116
"632369"	507.08456	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Na-H"	44.97116
"1135512"	199.00896	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Na-H"	44.97116
"176248"	177.027018	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2Na"	45.978436
"615447"	254.045918	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2Na"	45.978436
"1125157"	100.008118	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2Na"	45.978436
"1405400"	67.0078373333333	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+2Na"	46.985712
"1434236"	201.050546	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+HCOOH"	47.012746
"222837"	182.06004	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+3H2O+2H"	56.04448
"1516373"	215.10259	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+IsoProp+H"	61.06479
"416059"	185.013988	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+Na+K"	61.952376
"778147"	262.032888	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+Na+K"	61.952376
"1670832"	107.995088	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+K"	61.952376
"262095"	372.091368	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+ACN+Na"	64.015768
"1234802"	218.053568	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+ACN+Na"	64.015768
"1722595"	218.077093	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4+HCOOH"	64.039293
"1191232"	74.3351513333333	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3Na"	68.967654
"1657844"	223.032488	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+HCOOH"	68.994688
"164705"	384.99464	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2K-H"	76.91904
"606454"	539.03244	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2K-H"	76.91904
"1094246"	230.95684	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K-H"	76.91904
"153251"	193.000958	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"2M+2K"	77.926316
"588436"	270.019858	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"3M+2K"	77.926316
"1075136"	115.982058	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K"	77.926316
"1105064"	232.971392	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2K+H"	78.933592
"1342544"	233.059007	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+DMSO+H"	79.021207
"1010345"	237.098176	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2ACN+H"	83.060376
"1526646"	238.091808	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+IsoProp+Na+H"	84.054008
"992000"	119.052726	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+2ACN+2H"	84.067652
"1590154"	239.006428	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K+HCOOH"	84.968628
"1421288"	269.037938	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+H+CF3COOH"	115.000138
"1151575"	139.566001	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+3ACN+2H"	125.094202
"1702220"	286.064485	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+NH4+CF3COOH"	132.026685
"1637870"	291.01988	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+Na+CF3COOH"	136.98208
"1584455"	306.99382	"C19323"	"4-Amino-2-nitrophenol"	"C6H6N2O3"	"154.0378"	"M+K+CF3COOH"	152.95602
"811544"	144.9946	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M"	0
"983982"	125.97621	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-H2O-H"	-19.01839
"74411"	95.6557906666666	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M-3H"	-3.021828
"516888"	143.987324	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M-3H"	-3.021828
"892140"	47.3242573333333	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-3H"	-3.021828
"5975"	143.987324	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M-2H"	-2.014552
"445535"	216.484624	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M-2H"	-2.014552
"819327"	71.490024	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-2H"	-2.014552
"81505"	288.981924	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M-H"	-1.007276
"519362"	433.976524	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M-H"	-1.007276
"896318"	143.987324	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-H"	-1.007276
"53978"	306.008471	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M-2H+NH4"	16.019271
"490258"	451.003071	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M-2H+NH4"	16.019271
"873535"	161.013871	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-2H+NH4"	16.019271
"41432"	310.963866	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M-2H+Na"	20.974666
"476618"	455.958466	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M-2H+Na"	20.974666
"858797"	165.969266	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-2H+Na"	20.974666
"1621767"	165.969266	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Na-2H"	20.974666
"102683"	161.975663	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M-H+Cl"	33.962126
"543336"	234.472963	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M-H+Cl"	33.962126
"935758"	89.478363	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-H+Cl"	33.962126
"276502"	324.958602	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+Cl"	34.969402
"666735"	469.953202	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+Cl"	34.969402
"1280232"	179.964002	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Cl"	34.969402
"22786"	326.937806	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M-2H+K"	36.948606
"462348"	471.932406	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M-2H+K"	36.948606
"840151"	181.943206	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-2H+K"	36.948606
"1559625"	181.943206	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+K-2H"	36.948606
"948239"	189.992794	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-H+HCOOH"	44.998194
"367550"	334.987401	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+HCOOH-H"	44.998201
"351069"	349.003051	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+Hac-H"	59.013851
"1495525"	204.008451	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Hac-H"	59.013851
"966713"	211.974751	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-H+NaCOOH"	66.980151
"115986"	179.964002	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+2Cl"	69.938804
"554454"	252.461302	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+2Cl"	69.938804
"1027260"	107.466702	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2Cl"	69.938804
"1245383"	223.913485	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Br"	78.918885
"1309289"	225.969472	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Cl+HCOOH"	80.974872
"1324964"	247.951429	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Cl+NaCOOH"	102.956829
"913107"	257.980186	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M-H+CF3COOH"	112.985586
"1296739"	293.956864	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Cl+CF3COOH"	148.962264
"1373809"	109.981924	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H-2H2O"	-35.012676
"1387296"	127.9919	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H-H2O"	-17.0027
"289899"	290.996476	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+H"	1.007276
"679403"	435.991076	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+H"	1.007276
"1356483"	146.001876	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H"	1.007276
"130465"	146.001876	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+2H"	2.014552
"571117"	218.499176	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+2H"	2.014552
"1039549"	73.504576	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2H"	2.014552
"208910"	97.6703426666667	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+3H"	3.021828
"656133"	146.001876	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+3H"	3.021828
"1169885"	49.3388093333333	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+3H"	3.021828
"434248"	308.023023	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+NH4"	18.033823
"793059"	453.017623	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+NH4"	18.033823
"1692668"	163.028423	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+NH4"	18.033823
"342039"	154.5151495	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+H+NH4"	19.041099
"728994"	227.0124495	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+H+NH4"	19.041099
"1483907"	82.0178495	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H+NH4"	19.041099
"401493"	312.978418	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+Na"	22.989218
"757024"	457.973018	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+Na"	22.989218
"1604270"	167.983818	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Na"	22.989218
"314545"	156.992847	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+H+Na"	23.996494
"708551"	229.490147	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+H+Na"	23.996494
"1466865"	84.495547	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H+Na"	23.996494
"1056103"	56.6661233333333	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2H+Na"	25.00377
"1262886"	178.028086	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+CH3OH+H"	33.033486
"384741"	328.952358	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+K"	38.963158
"746833"	473.946958	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+K"	38.963158
"1545606"	183.957758	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+K"	38.963158
"308249"	164.979817	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+H+K"	39.970434
"700668"	237.477117	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+H+K"	39.970434
"1456677"	92.482517	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H+K"	39.970434
"246372"	332.023026	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+ACN+H"	42.033826
"1214708"	187.028426	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+ACN+H"	42.033826
"1199685"	94.017851	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+ACN+2H"	43.041102
"192552"	334.96036	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+2Na-H"	44.97116
"633208"	479.95496	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+2Na-H"	44.97116
"1134161"	189.96576	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2Na-H"	44.97116
"176725"	167.983818	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+2Na"	45.978436
"614100"	240.481118	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+2Na"	45.978436
"1121986"	95.486518	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2Na"	45.978436
"1401135"	63.9934373333333	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H+2Na"	46.985712
"1434343"	192.007346	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H+HCOOH"	47.012746
"220757"	173.01684	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+3H2O+2H"	56.04448
"1512102"	206.05939	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+IsoProp+H"	61.06479
"409971"	175.970788	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+Na+K"	61.952376
"773883"	248.468088	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+Na+K"	61.952376
"1673494"	103.473488	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Na+K"	61.952376
"254909"	354.004968	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+ACN+Na"	64.015768
"1236005"	209.010368	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+ACN+Na"	64.015768
"1723798"	209.033893	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+NH4+HCOOH"	64.039293
"1193528"	71.3207513333333	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+3Na"	68.967654
"1659047"	213.989288	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Na+HCOOH"	68.994688
"165908"	366.90824	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+2K-H"	76.91904
"611669"	511.90284	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+2K-H"	76.91904
"1098854"	221.91364	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2K-H"	76.91904
"155548"	183.957758	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"2M+2K"	77.926316
"587454"	256.455058	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"3M+2K"	77.926316
"1077433"	111.460458	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2K"	77.926316
"1105174"	223.928192	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2K+H"	78.933592
"1341561"	224.015807	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+DMSO+H"	79.021207
"1011186"	228.054976	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2ACN+H"	83.060376
"1527487"	229.048608	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+IsoProp+Na+H"	84.054008
"992475"	114.531126	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+2ACN+2H"	84.067652
"1590264"	229.963228	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+K+HCOOH"	84.968628
"1418118"	259.994738	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+H+CF3COOH"	115.000138
"1149862"	135.044401	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+3ACN+2H"	125.094202
"1702330"	277.021285	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+NH4+CF3COOH"	132.026685
"1646728"	281.97668	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+Na+CF3COOH"	136.98208
"1581285"	297.95062	"C19324"	"2-Amino-5-nitrothiazole;Aminonitrothiazole"	"C3H3N3O2S"	"144.9946"	"M+K+CF3COOH"	152.95602
"814571"	201.1729	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M"	0
"984093"	182.15451	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-H2O-H"	-19.01839
"75615"	133.107990666667	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M-3H"	-3.021828
"516635"	200.165624	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M-3H"	-3.021828
"892614"	66.0503573333333	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-3H"	-3.021828
"11553"	200.165624	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M-2H"	-2.014552
"448926"	300.752074	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M-2H"	-2.014552
"820167"	99.579174	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-2H"	-2.014552
"81252"	401.338524	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M-H"	-1.007276
"520444"	602.511424	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M-H"	-1.007276
"896669"	200.165624	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-H"	-1.007276
"54088"	418.365071	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M-2H+NH4"	16.019271
"489275"	619.537971	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M-2H+NH4"	16.019271
"872553"	217.192171	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-2H+NH4"	16.019271
"38263"	423.320466	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M-2H+Na"	20.974666
"473449"	624.493366	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M-2H+Na"	20.974666
"855628"	222.147566	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-2H+Na"	20.974666
"1620055"	222.147566	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Na-2H"	20.974666
"102793"	218.153963	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M-H+Cl"	33.962126
"544541"	318.740413	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M-H+Cl"	33.962126
"936962"	117.567513	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-H+Cl"	33.962126
"275517"	437.315202	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+Cl"	34.969402
"666845"	638.488102	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+Cl"	34.969402
"1279248"	236.142302	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Cl"	34.969402
"25083"	439.294406	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M-2H+K"	36.948606
"463184"	640.467306	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M-2H+K"	36.948606
"838800"	238.121506	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-2H+K"	36.948606
"1558642"	238.121506	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+K-2H"	36.948606
"948348"	246.171094	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-H+HCOOH"	44.998194
"368753"	447.344001	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+HCOOH-H"	44.998201
"347897"	461.359651	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+Hac-H"	59.013851
"1495272"	260.186751	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Hac-H"	59.013851
"966823"	268.153051	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-H+NaCOOH"	66.980151
"115366"	236.142302	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+2Cl"	69.938804
"553832"	336.728752	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+2Cl"	69.938804
"1025911"	135.555852	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2Cl"	69.938804
"1246221"	280.091785	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Br"	78.918885
"1306482"	282.147772	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Cl+HCOOH"	80.974872
"1322519"	304.129729	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Cl+NaCOOH"	102.956829
"915768"	314.158486	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M-H+CF3COOH"	112.985586
"1296849"	350.135164	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Cl+CF3COOH"	148.962264
"1375012"	166.160224	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H-2H2O"	-35.012676
"1388135"	184.1702	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H-H2O"	-17.0027
"290009"	403.353076	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+H"	1.007276
"679149"	604.525976	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+H"	1.007276
"1356593"	202.180176	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H"	1.007276
"131668"	202.180176	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+2H"	2.014552
"572320"	302.766626	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+2H"	2.014552
"1041120"	101.593726	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2H"	2.014552
"210114"	135.122542666667	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+3H"	3.021828
"651869"	202.180176	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+3H"	3.021828
"1172182"	68.0649093333333	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+3H"	3.021828
"434360"	420.379623	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+NH4"	18.033823
"797543"	621.552523	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+NH4"	18.033823
"1692778"	219.206723	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+NH4"	18.033823
"341058"	210.6934495	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+H+NH4"	19.041099
"732386"	311.2798995	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+H+NH4"	19.041099
"1488027"	110.1069995	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H+NH4"	19.041099
"399416"	425.335018	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+Na"	22.989218
"758227"	626.507918	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+Na"	22.989218
"1605231"	224.162118	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Na"	22.989218
"315145"	213.171147	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+H+Na"	23.996494
"708782"	313.757597	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+H+Na"	23.996494
"1468069"	112.584697	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H+Na"	23.996494
"1054390"	75.3922233333333	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2H+Na"	25.00377
"1262996"	234.206386	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+CH3OH+H"	33.033486
"383758"	441.308958	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+K"	38.963158
"746944"	642.481858	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+K"	38.963158
"1547903"	240.136058	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+K"	38.963158
"307266"	221.158117	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+H+K"	39.970434
"700778"	321.744567	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+H+K"	39.970434
"1456788"	120.571667	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H+K"	39.970434
"246483"	444.379626	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+ACN+H"	42.033826
"1218098"	243.206726	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+ACN+H"	42.033826
"1203075"	122.107001	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+ACN+2H"	43.041102
"193757"	447.31696	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+2Na-H"	44.97116
"634412"	648.48986	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+2Na-H"	44.97116
"1137917"	246.14406	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2Na-H"	44.97116
"177929"	224.162118	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+2Na"	45.978436
"615666"	324.748568	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+2Na"	45.978436
"1117722"	123.575668	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2Na"	45.978436
"1401245"	82.7195373333333	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H+2Na"	46.985712
"1430078"	248.185646	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H+HCOOH"	47.012746
"220984"	229.19514	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+3H2O+2H"	56.04448
"1512212"	262.23769	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+IsoProp+H"	61.06479
"411904"	232.149088	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+Na+K"	61.952376
"773993"	332.735538	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+Na+K"	61.952376
"1673604"	131.562638	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Na+K"	61.952376
"253561"	466.361568	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+ACN+Na"	64.015768
"1236115"	265.188668	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+ACN+Na"	64.015768
"1722814"	265.212193	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+NH4+HCOOH"	64.039293
"1188169"	90.0468513333333	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+3Na"	68.967654
"1657331"	270.167588	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Na+HCOOH"	68.994688
"166018"	479.26484	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+2K-H"	76.91904
"609956"	680.43774	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+2K-H"	76.91904
"1096653"	278.09194	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2K-H"	76.91904
"149096"	240.136058	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"2M+2K"	77.926316
"589750"	340.722508	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"3M+2K"	77.926316
"1078635"	139.549608	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2K"	77.926316
"1104193"	280.106492	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2K+H"	78.933592
"1341671"	280.194107	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+DMSO+H"	79.021207
"1011295"	284.233276	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2ACN+H"	83.060376
"1527597"	285.226908	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+IsoProp+Na+H"	84.054008
"995870"	142.620276	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+2ACN+2H"	84.067652
"1594749"	286.141528	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+K+HCOOH"	84.968628
"1419321"	316.173038	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+H+CF3COOH"	115.000138
"1151796"	163.133551	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+3ACN+2H"	125.094202
"1702441"	333.199585	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+NH4+CF3COOH"	132.026685
"1643558"	338.15498	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+Na+CF3COOH"	136.98208
"1581395"	354.12892	"C19325"	"11-Aminoundecanoic acid"	"C11H23NO2"	"201.1729"	"M+K+CF3COOH"	152.95602
"814682"	123.0684	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M"	0
"985296"	104.05001	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-H2O-H"	-19.01839
"74631"	81.038324	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M-3H"	-3.021828
"516015"	122.061124	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M-3H"	-3.021828
"891994"	40.015524	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-3H"	-3.021828
"12757"	122.061124	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M-2H"	-2.014552
"450130"	183.595324	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M-2H"	-2.014552
"823558"	60.526924	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-2H"	-2.014552
"82457"	245.129524	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M-H"	-1.007276
"520677"	368.197924	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M-H"	-1.007276
"898722"	122.061124	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-H"	-1.007276
"54198"	262.156071	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M-2H+NH4"	16.019271
"493761"	385.224471	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M-2H+NH4"	16.019271
"864879"	139.087671	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-2H+NH4"	16.019271
"33997"	267.111466	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M-2H+Na"	20.974666
"474652"	390.179866	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M-2H+Na"	20.974666
"855738"	144.043066	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-2H+Na"	20.974666
"1620895"	144.043066	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Na-2H"	20.974666
"106185"	140.049463	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M-H+Cl"	33.962126
"543557"	201.583663	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M-H+Cl"	33.962126
"937071"	78.515263	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-H+Cl"	33.962126
"278545"	281.106202	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+Cl"	34.969402
"670236"	404.174602	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+Cl"	34.969402
"1281545"	158.037802	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Cl"	34.969402
"23371"	283.085406	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M-2H+K"	36.948606
"463294"	406.153806	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M-2H+K"	36.948606
"840373"	160.017006	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-2H+K"	36.948606
"1561671"	160.017006	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+K-2H"	36.948606
"951741"	168.066594	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-H+HCOOH"	44.998194
"367771"	291.135001	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+HCOOH-H"	44.998201
"350562"	305.150651	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+Hac-H"	59.013851
"1496476"	182.082251	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Hac-H"	59.013851
"965840"	190.048551	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-H+NaCOOH"	66.980151
"112196"	158.037802	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+2Cl"	69.938804
"551756"	219.572002	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+2Cl"	69.938804
"1026753"	96.503602	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2Cl"	69.938804
"1245603"	201.987285	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Br"	78.918885
"1306229"	204.043272	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Cl+HCOOH"	80.974872
"1321535"	226.025229	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Cl+NaCOOH"	102.956829
"914421"	236.053986	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M-H+CF3COOH"	112.985586
"1295868"	272.030664	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Cl+CF3COOH"	148.962264
"1371478"	88.055724	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H-2H2O"	-35.012676
"1388610"	106.0657	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H-H2O"	-17.0027
"288297"	247.144076	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+H"	1.007276
"681448"	370.212476	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+H"	1.007276
"1357796"	124.075676	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H"	1.007276
"132872"	124.075676	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+2H"	2.014552
"573525"	185.609876	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+2H"	2.014552
"1039043"	62.541476	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2H"	2.014552
"207308"	83.052876	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+3H"	3.021828
"658906"	124.075676	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+3H"	3.021828
"1171199"	42.030076	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+3H"	3.021828
"436658"	264.170623	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+NH4"	18.033823
"797289"	387.239023	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+NH4"	18.033823
"1692891"	141.102223	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+NH4"	18.033823
"340074"	132.5889495	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+H+NH4"	19.041099
"734317"	194.1231495	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+H+NH4"	19.041099
"1486314"	71.0547495	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H+NH4"	19.041099
"402806"	269.126018	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+Na"	22.989218
"762711"	392.194418	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+Na"	22.989218
"1603638"	146.057618	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Na"	22.989218
"315013"	135.066647	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+H+Na"	23.996494
"707921"	196.600847	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+H+Na"	23.996494
"1463081"	73.532447	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H+Na"	23.996494
"1061430"	49.35739	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2H+Na"	25.00377
"1264201"	156.101886	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+CH3OH+H"	33.033486
"387152"	285.099958	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+K"	38.963158
"749241"	408.168358	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+K"	38.963158
"1548014"	162.031558	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+K"	38.963158
"309564"	143.053617	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+H+K"	39.970434
"699795"	204.587817	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+H+K"	39.970434
"1454713"	81.519417	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H+K"	39.970434
"243313"	288.170626	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+ACN+H"	42.033826
"1213836"	165.102226	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+ACN+H"	42.033826
"1200998"	83.054751	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+ACN+2H"	43.041102
"194593"	291.10796	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+2Na-H"	44.97116
"633427"	414.17636	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+2Na-H"	44.97116
"1137297"	168.03956	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2Na-H"	44.97116
"178034"	146.057618	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+2Na"	45.978436
"616499"	207.591818	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+2Na"	45.978436
"1118911"	84.523418	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2Na"	45.978436
"1402435"	56.684704	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H+2Na"	46.985712
"1432732"	170.081146	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H+HCOOH"	47.012746
"223154"	151.09064	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+3H2O+2H"	56.04448
"1510135"	184.13319	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+IsoProp+H"	61.06479
"413108"	154.044588	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+Na+K"	61.952376
"774103"	215.578788	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+Na+K"	61.952376
"1673714"	92.510388	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Na+K"	61.952376
"253306"	310.152568	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+ACN+Na"	64.015768
"1230759"	187.084168	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+ACN+Na"	64.015768
"1717822"	187.107693	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+NH4+HCOOH"	64.039293
"1182813"	64.012018	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+3Na"	68.967654
"1654526"	192.063088	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Na+HCOOH"	68.994688
"161755"	323.05584	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+2K-H"	76.91904
"611160"	446.12424	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+2K-H"	76.91904
"1096764"	199.98744	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2K-H"	76.91904
"153581"	162.031558	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"2M+2K"	77.926316
"590954"	223.565758	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"3M+2K"	77.926316
"1078746"	100.497358	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2K"	77.926316
"1103208"	202.001992	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2K+H"	78.933592
"1340688"	202.089607	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+DMSO+H"	79.021207
"1010312"	206.128776	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2ACN+H"	83.060376
"1527346"	207.122408	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+IsoProp+Na+H"	84.054008
"995980"	103.568026	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+2ACN+2H"	84.067652
"1593766"	208.037028	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+K+HCOOH"	84.968628
"1421619"	238.068538	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+H+CF3COOH"	115.000138
"1157375"	124.081301	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+3ACN+2H"	125.094202
"1708018"	255.095085	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+NH4+CF3COOH"	132.026685
"1646948"	260.05048	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+Na+CF3COOH"	136.98208
"1581505"	276.02442	"C19326"	"para-Anisidine;1-Amino-4-methoxybenzene"	"C7H9NO"	"123.0684"	"M+K+CF3COOH"	152.95602
"815519"	276.0939	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M"	0
"987230"	257.07551	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-H2O-H"	-19.01839
"78309"	183.055324	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M-3H"	-3.021828
"518243"	275.086624	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M-3H"	-3.021828
"889917"	91.024024	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-3H"	-3.021828
"14691"	275.086624	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M-2H"	-2.014552
"454615"	413.133574	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M-2H"	-2.014552
"831323"	137.039674	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-2H"	-2.014552
"88034"	551.180524	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M-H"	-1.007276
"523220"	827.274424	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M-H"	-1.007276
"903213"	275.086624	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-H"	-1.007276
"59778"	568.207071	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M-2H+NH4"	16.019271
"490590"	844.300971	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M-2H+NH4"	16.019271
"873866"	292.113171	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-2H+NH4"	16.019271
"38483"	573.162466	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M-2H+Na"	20.974666
"476949"	849.256366	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M-2H+Na"	20.974666
"855848"	297.068566	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-2H+Na"	20.974666
"1627572"	297.068566	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Na-2H"	20.974666
"106297"	293.074963	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M-H+Cl"	33.962126
"547923"	431.121913	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M-H+Cl"	33.962126
"939371"	155.028013	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-H+Cl"	33.962126
"279020"	587.157202	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+Cl"	34.969402
"673626"	863.251102	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+Cl"	34.969402
"1285670"	311.063302	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Cl"	34.969402
"25309"	589.136406	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M-2H+K"	36.948606
"465963"	865.230306	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M-2H+K"	36.948606
"841577"	313.042506	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-2H+K"	36.948606
"1565064"	313.042506	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+K-2H"	36.948606
"951851"	321.092094	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-H+HCOOH"	44.998194
"370066"	597.186001	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+HCOOH-H"	44.998201
"352858"	611.201651	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+Hac-H"	59.013851
"1499137"	335.107751	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Hac-H"	59.013851
"965952"	343.074051	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-H+NaCOOH"	66.980151
"114862"	311.063302	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+2Cl"	69.938804
"554786"	449.110252	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+2Cl"	69.938804
"1026505"	173.016352	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2Cl"	69.938804
"1251551"	355.012785	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Br"	78.918885
"1310718"	357.068772	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Cl+HCOOH"	80.974872
"1326391"	379.050729	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Cl+NaCOOH"	102.956829
"917085"	389.079486	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M-H+CF3COOH"	112.985586
"1298167"	425.056164	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Cl+CF3COOH"	148.962264
"1376329"	241.081224	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H-2H2O"	-35.012676
"1392731"	259.0912	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H-H2O"	-17.0027
"291325"	553.195076	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+H"	1.007276
"683745"	829.288976	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+H"	1.007276
"1365565"	277.101176	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H"	1.007276
"136266"	277.101176	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+2H"	2.014552
"572545"	415.148126	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+2H"	2.014552
"1048999"	139.054226	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2H"	2.014552
"213617"	185.069876	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+3H"	3.021828
"659547"	277.101176	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+3H"	3.021828
"1176413"	93.038576	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+3H"	3.021828
"435675"	570.221623	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+NH4"	18.033823
"797764"	846.315523	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+NH4"	18.033823
"1696964"	294.127723	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+NH4"	18.033823
"341279"	285.6144495	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+H+NH4"	19.041099
"731514"	423.6613995	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+H+NH4"	19.041099
"1489707"	147.5674995	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H+NH4"	19.041099
"404013"	575.177018	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+Na"	22.989218
"765008"	851.270918	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+Na"	22.989218
"1610919"	299.083118	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Na"	22.989218
"322050"	288.092147	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+H+Na"	23.996494
"714476"	426.139097	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+H+Na"	23.996494
"1470483"	150.045197	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H+Na"	23.996494
"1063729"	100.36589	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2H+Na"	25.00377
"1270877"	309.127386	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+CH3OH+H"	33.033486
"386172"	591.150958	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+K"	38.963158
"749353"	867.244858	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+K"	38.963158
"1553593"	315.057058	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+K"	38.963158
"311862"	296.079117	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+H+K"	39.970434
"703191"	434.126067	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+H+K"	39.970434
"1459928"	158.032167	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H+K"	39.970434
"246706"	594.221626	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+ACN+H"	42.033826
"1217227"	318.127726	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+ACN+H"	42.033826
"1198193"	159.567501	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+ACN+2H"	43.041102
"193249"	597.15896	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+2Na-H"	44.97116
"633537"	873.25286	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+2Na-H"	44.97116
"1135221"	321.06506	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2Na-H"	44.97116
"178877"	299.083118	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+2Na"	45.978436
"613573"	437.130068	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+2Na"	45.978436
"1116350"	161.036168	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2Na"	45.978436
"1399027"	107.693204	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H+2Na"	46.985712
"1431747"	323.106646	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H+HCOOH"	47.012746
"220836"	304.11614	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+3H2O+2H"	56.04448
"1510974"	337.15869	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+IsoProp+H"	61.06479
"414311"	307.070088	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+Na+K"	61.952376
"775306"	445.117038	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+Na+K"	61.952376
"1667626"	169.023138	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Na+K"	61.952376
"252564"	616.203568	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+ACN+Na"	64.015768
"1229042"	340.109668	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+ACN+Na"	64.015768
"1716109"	340.133193	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+NH4+HCOOH"	64.039293
"1182192"	115.020518	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+3Na"	68.967654
"1654271"	345.088588	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Na+HCOOH"	68.994688
"161865"	629.10684	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+2K-H"	76.91904
"610176"	905.20074	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+2K-H"	76.91904
"1095781"	353.01294	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2K-H"	76.91904
"154785"	315.057058	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"2M+2K"	77.926316
"589969"	453.104008	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"3M+2K"	77.926316
"1082138"	177.010108	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2K"	77.926316
"1102952"	355.027492	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2K+H"	78.933592
"1340798"	355.115107	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+DMSO+H"	79.021207
"1010422"	359.154276	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2ACN+H"	83.060376
"1532923"	360.147908	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+IsoProp+Na+H"	84.054008
"996090"	180.080776	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+2ACN+2H"	84.067652
"1596063"	361.062528	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+K+HCOOH"	84.968628
"1427928"	391.094038	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+H+CF3COOH"	115.000138
"1160765"	200.594051	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+3ACN+2H"	125.094202
"1709221"	408.120585	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+NH4+CF3COOH"	132.026685
"1647058"	413.07598	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+Na+CF3COOH"	136.98208
"1581615"	429.04992	"C19327"	"Anthanthrene;Dibenzocdjkpyrene"	"C22H12"	"276.0939"	"M+K+CF3COOH"	152.95602
"810887"	337.7238	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M"	0
"982234"	318.70541	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-H2O-H"	-19.01839
"73757"	224.141924	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M-3H"	-3.021828
"511130"	336.716524	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M-3H"	-3.021828
"888932"	111.567324	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-3H"	-3.021828
"14799"	336.716524	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M-2H"	-2.014552
"452536"	505.578424	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M-2H"	-2.014552
"828150"	167.854624	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-2H"	-2.014552
"84864"	674.440324	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M-H"	-1.007276
"521142"	1012.164124	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M-H"	-1.007276
"900043"	336.716524	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-H"	-1.007276
"55511"	691.466871	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M-2H+NH4"	16.019271
"487657"	1029.190671	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M-2H+NH4"	16.019271
"876162"	353.743071	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-2H+NH4"	16.019271
"38593"	696.422266	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M-2H+Na"	20.974666
"473169"	1034.146066	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M-2H+Na"	20.974666
"855958"	358.698466	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-2H+Na"	20.974666
"1632419"	358.698466	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Na-2H"	20.974666
"107136"	354.704863	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M-H+Cl"	33.962126
"548640"	523.566763	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M-H+Cl"	33.962126
"940573"	185.842963	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-H+Cl"	33.962126
"280222"	710.417002	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+Cl"	34.969402
"673736"	1048.140802	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+Cl"	34.969402
"1285779"	372.693202	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Cl"	34.969402
"27604"	712.396206	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M-2H+K"	36.948606
"468253"	1050.120006	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M-2H+K"	36.948606
"843873"	374.672406	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-2H+K"	36.948606
"1568454"	374.672406	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+K-2H"	36.948606
"953784"	382.721994	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-H+HCOOH"	44.998194
"370176"	720.445801	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+HCOOH-H"	44.998201
"356248"	734.461451	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+Hac-H"	59.013851
"1500705"	396.737651	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Hac-H"	59.013851
"967884"	404.703951	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-H+NaCOOH"	66.980151
"112782"	372.693202	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+2Cl"	69.938804
"550514"	541.555102	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+2Cl"	69.938804
"1022235"	203.831302	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2Cl"	69.938804
"1244003"	416.642685	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Br"	78.918885
"1305356"	418.698672	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Cl+HCOOH"	80.974872
"1323582"	440.680629	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Cl+NaCOOH"	102.956829
"918285"	450.709386	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M-H+CF3COOH"	112.985586
"1293901"	486.686064	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Cl+CF3COOH"	148.962264
"1373155"	302.711124	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H-2H2O"	-35.012676
"1389558"	320.7211	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H-H2O"	-17.0027
"284869"	676.454876	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+H"	1.007276
"680570"	1014.178676	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+H"	1.007276
"1358016"	338.731076	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H"	1.007276
"129811"	338.731076	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+2H"	2.014552
"566817"	507.592976	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+2H"	2.014552
"1041451"	169.869176	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2H"	2.014552
"207164"	226.156476	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+3H"	3.021828
"659130"	338.731076	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+3H"	3.021828
"1176159"	113.581876	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+3H"	3.021828
"435785"	693.481423	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+NH4"	18.033823
"794593"	1031.205223	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+NH4"	18.033823
"1696519"	355.757623	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+NH4"	18.033823
"341389"	347.2443495	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+H+NH4"	19.041099
"729438"	516.1062495	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+H+NH4"	19.041099
"1490910"	178.3824495	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H+NH4"	19.041099
"405216"	698.436818	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+Na"	22.989218
"766214"	1036.160618	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+Na"	22.989218
"1611030"	360.713018	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Na"	22.989218
"325442"	349.722047	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+H+Na"	23.996494
"714586"	518.583947	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+H+Na"	23.996494
"1471686"	180.860147	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H+Na"	23.996494
"1066026"	120.90919	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2H+Na"	25.00377
"1268800"	370.757286	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+CH3OH+H"	33.033486
"388469"	714.410758	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+K"	38.963158
"749466"	1052.134558	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+K"	38.963158
"1550423"	376.686958	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+K"	38.963158
"313067"	357.709017	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+H+K"	39.970434
"704395"	526.570917	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+H+K"	39.970434
"1460038"	188.847117	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H+K"	39.970434
"245722"	717.481426	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+ACN+H"	42.033826
"1219525"	379.757626	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+ACN+H"	42.033826
"1196118"	190.382451	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+ACN+2H"	43.041102
"195181"	720.41876	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+2Na-H"	44.97116
"633648"	1058.14256	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+2Na-H"	44.97116
"1134239"	382.69496	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2Na-H"	44.97116
"178259"	360.713018	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+2Na"	45.978436
"614170"	529.574918	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+2Na"	45.978436
"1117191"	191.851118	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2Na"	45.978436
"1399386"	128.236504	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H+2Na"	46.985712
"1430280"	384.736546	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H+HCOOH"	47.012746
"220947"	365.74604	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+3H2O+2H"	56.04448
"1510355"	398.78859	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+IsoProp+H"	61.06479
"412234"	368.699988	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+Na+K"	61.952376
"774323"	537.561888	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+Na+K"	61.952376
"1666643"	199.838088	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Na+K"	61.952376
"252309"	739.463368	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+ACN+Na"	64.015768
"1226964"	401.739568	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+ACN+Na"	64.015768
"1714394"	401.763093	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+NH4+HCOOH"	64.039293
"1182665"	135.563818	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+3Na"	68.967654
"1656204"	406.718488	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Na+HCOOH"	68.994688
"163068"	752.36664	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+2K-H"	76.91904
"603722"	1090.09044	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+2K-H"	76.91904
"1098078"	414.64284	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2K-H"	76.91904
"154896"	376.686958	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"2M+2K"	77.926316
"594454"	545.548858	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"3M+2K"	77.926316
"1078966"	207.825058	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2K"	77.926316
"1103428"	416.657392	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2K+H"	78.933592
"1340177"	416.745007	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+DMSO+H"	79.021207
"1014907"	420.784176	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2ACN+H"	83.060376
"1529753"	421.777808	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+IsoProp+Na+H"	84.054008
"992919"	210.895726	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+2ACN+2H"	84.067652
"1596173"	422.692428	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+K+HCOOH"	84.968628
"1428037"	452.723938	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+H+CF3COOH"	115.000138
"1160511"	231.409001	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+3ACN+2H"	125.094202
"1709331"	469.750485	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+NH4+CF3COOH"	132.026685
"1640607"	474.70588	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+Na+CF3COOH"	136.98208
"1581725"	490.67982	"C19328"	"Antimony trisulfide"	"Sb2S3"	"337.7238"	"M+K+CF3COOH"	152.95602
"812090"	387.1368	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M"	0
"982344"	368.11841	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-H2O-H"	-19.01839
"73867"	257.083924	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M-3H"	-3.021828
"513427"	386.129524	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M-3H"	-3.021828
"887950"	128.038324	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-3H"	-3.021828
"14180"	386.129524	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M-2H"	-2.014552
"448273"	579.697924	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M-2H"	-2.014552
"826074"	192.561124	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-2H"	-2.014552
"81694"	773.266324	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M-H"	-1.007276
"522346"	1160.403124	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M-H"	-1.007276
"900153"	386.129524	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-H"	-1.007276
"55621"	790.292871	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M-2H+NH4"	16.019271
"488736"	1177.429671	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M-2H+NH4"	16.019271
"864365"	403.156071	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-2H+NH4"	16.019271
"31582"	795.248266	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M-2H+Na"	20.974666
"473887"	1182.385066	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M-2H+Na"	20.974666
"856068"	408.111466	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-2H+Na"	20.974666
"1633257"	408.111466	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Na-2H"	20.974666
"108701"	404.117863	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M-H+Cl"	33.962126
"548261"	597.686263	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M-H+Cl"	33.962126
"937405"	210.549463	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-H+Cl"	33.962126
"282155"	809.243002	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+Cl"	34.969402
"672750"	1196.379802	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+Cl"	34.969402
"1286496"	422.106202	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Cl"	34.969402
"27714"	811.222206	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M-2H+K"	36.948606
"468363"	1198.359006	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M-2H+K"	36.948606
"843620"	424.085406	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-2H+K"	36.948606
"1564188"	424.085406	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+K-2H"	36.948606
"954258"	432.134994	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-H+HCOOH"	44.998194
"371379"	819.271801	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+HCOOH-H"	44.998201
"357087"	833.287451	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+Hac-H"	59.013851
"1500815"	446.150651	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Hac-H"	59.013851
"967265"	454.116951	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-H+NaCOOH"	66.980151
"110705"	422.106202	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+2Cl"	69.938804
"550178"	615.674602	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+2Cl"	69.938804
"1023071"	228.537802	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2Cl"	69.938804
"1242649"	466.055685	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Br"	78.918885
"1308748"	468.111672	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Cl+HCOOH"	80.974872
"1320778"	490.093629	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Cl+NaCOOH"	102.956829
"912928"	500.122386	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M-H+CF3COOH"	112.985586
"1290731"	536.099064	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Cl+CF3COOH"	148.962264
"1373265"	352.124124	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H-2H2O"	-35.012676
"1388575"	370.1341	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H-H2O"	-17.0027
"287168"	775.280876	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+H"	1.007276
"676062"	1162.417676	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+H"	1.007276
"1355938"	388.144076	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H"	1.007276
"128827"	388.144076	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+2H"	2.014552
"566072"	581.712476	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+2H"	2.014552
"1039374"	194.575676	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2H"	2.014552
"204964"	259.098476	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+3H"	3.021828
"658509"	388.144076	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+3H"	3.021828
"1173717"	130.052876	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+3H"	3.021828
"436989"	792.307423	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+NH4"	18.033823
"796890"	1179.444223	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+NH4"	18.033823
"1696020"	405.170623	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+NH4"	18.033823
"341500"	396.6573495	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+H+NH4"	19.041099
"733919"	590.2257495	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+H+NH4"	19.041099
"1491020"	203.0889495	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H+NH4"	19.041099
"406787"	797.262818	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+Na"	22.989218
"765232"	1184.399618	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+Na"	22.989218
"1611140"	410.126018	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Na"	22.989218
"324823"	399.135047	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+H+Na"	23.996494
"714696"	592.703447	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+H+Na"	23.996494
"1471432"	205.566647	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H+Na"	23.996494
"1063949"	137.38019	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2H+Na"	25.00377
"1267816"	420.170286	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+CH3OH+H"	33.033486
"386393"	813.236758	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+K"	38.963158
"748483"	1200.373558	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+K"	38.963158
"1551625"	426.099958	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+K"	38.963158
"310990"	407.122017	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+H+K"	39.970434
"703411"	600.690417	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+H+K"	39.970434
"1459054"	213.553617	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H+K"	39.970434
"245831"	816.307426	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+ACN+H"	42.033826
"1215262"	429.170626	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+ACN+H"	42.033826
"1198051"	215.088951	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+ACN+2H"	43.041102
"196385"	819.24476	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+2Na-H"	44.97116
"632665"	1206.38156	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+2Na-H"	44.97116
"1139452"	432.10796	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2Na-H"	44.97116
"179463"	410.126018	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+2Na"	45.978436
"614160"	603.694418	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+2Na"	45.978436
"1117545"	216.557618	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2Na"	45.978436
"1399617"	144.707504	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H+2Na"	46.985712
"1430270"	434.149546	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H+HCOOH"	47.012746
"221182"	415.15904	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+3H2O+2H"	56.04448
"1510830"	448.20159	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+IsoProp+H"	61.06479
"412344"	418.112988	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+Na+K"	61.952376
"774797"	611.681388	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+Na+K"	61.952376
"1666144"	224.544588	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Na+K"	61.952376
"253998"	838.289368	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+ACN+Na"	64.015768
"1227803"	451.152568	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+ACN+Na"	64.015768
"1714504"	451.176093	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+NH4+HCOOH"	64.039293
"1184234"	152.034818	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+3Na"	68.967654
"1653031"	456.131488	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Na+HCOOH"	68.994688
"163177"	851.19264	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+2K-H"	76.91904
"601645"	1238.32944	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+2K-H"	76.91904
"1098189"	464.05584	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2K-H"	76.91904
"150632"	426.099958	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"2M+2K"	77.926316
"595657"	619.668358	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"3M+2K"	77.926316
"1081263"	232.531558	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2K"	77.926316
"1102808"	466.070392	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2K+H"	78.933592
"1339192"	466.158007	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+DMSO+H"	79.021207
"1012826"	470.197176	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2ACN+H"	83.060376
"1527675"	471.190808	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+IsoProp+Na+H"	84.054008
"993029"	235.602226	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+2ACN+2H"	84.067652
"1596283"	472.105428	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+K+HCOOH"	84.968628
"1426325"	502.136938	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+H+CF3COOH"	115.000138
"1160985"	256.115501	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+3ACN+2H"	125.094202
"1709441"	519.163485	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+NH4+CF3COOH"	132.026685
"1640717"	524.11888	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+Na+CF3COOH"	136.98208
"1581835"	540.09282	"C19329"	"Apholate"	"C12H24N9P3"	"387.1368"	"M+K+CF3COOH"	152.95602
"803454"	177.9975	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M"	0
"982454"	158.97911	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-H2O-H"	-19.01839
"76531"	117.657724	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M-3H"	-3.021828
"511351"	176.990224	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M-3H"	-3.021828
"885874"	58.325224	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-3H"	-3.021828
"7729"	176.990224	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M-2H"	-2.014552
"447291"	265.988974	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M-2H"	-2.014552
"822907"	87.991474	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-2H"	-2.014552
"85086"	354.987724	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M-H"	-1.007276
"519426"	532.985224	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M-H"	-1.007276
"895807"	176.990224	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-H"	-1.007276
"47421"	372.014271	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M-2H+NH4"	16.019271
"493111"	550.011771	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M-2H+NH4"	16.019271
"873829"	194.016771	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-2H+NH4"	16.019271
"31924"	376.969666	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M-2H+Na"	20.974666
"485548"	554.967166	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M-2H+Na"	20.974666
"859459"	198.972166	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-2H+Na"	20.974666
"1632283"	198.972166	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Na-2H"	20.974666
"107717"	194.978563	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M-H+Cl"	33.962126
"546184"	283.977313	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M-H+Cl"	33.962126
"939699"	105.979813	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-H+Cl"	33.962126
"282023"	390.964402	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+Cl"	34.969402
"672503"	568.961902	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+Cl"	34.969402
"1284176"	212.966902	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Cl"	34.969402
"28919"	392.943606	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M-2H+K"	36.948606
"463011"	570.941106	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M-2H+K"	36.948606
"841904"	214.946106	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-2H+K"	36.948606
"1567579"	214.946106	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+K-2H"	36.948606
"952183"	222.995694	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-H+HCOOH"	44.998194
"373679"	400.993201	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+HCOOH-H"	44.998201
"357927"	415.008851	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+Hac-H"	59.013851
"1496190"	237.011351	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Hac-H"	59.013851
"959721"	244.977651	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-H+NaCOOH"	66.980151
"111180"	212.966902	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+2Cl"	69.938804
"550014"	301.965652	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+2Cl"	69.938804
"1023910"	123.968152	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2Cl"	69.938804
"1241787"	256.916385	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Br"	78.918885
"1305329"	258.972372	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Cl+HCOOH"	80.974872
"1322707"	280.954329	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Cl+NaCOOH"	102.956829
"916318"	290.983086	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M-H+CF3COOH"	112.985586
"1296306"	326.959764	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Cl+CF3COOH"	148.962264
"1373375"	142.984824	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H-2H2O"	-35.012676
"1386498"	160.9948	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H-H2O"	-17.0027
"287278"	357.002276	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+H"	1.007276
"681887"	534.999776	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+H"	1.007276
"1358966"	179.004776	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H"	1.007276
"128938"	179.004776	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+2H"	2.014552
"575062"	268.003526	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+2H"	2.014552
"1044953"	90.006026	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2H"	2.014552
"219672"	119.672276	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+3H"	3.021828
"655701"	179.004776	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+3H"	3.021828
"1174920"	60.339776	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+3H"	3.021828
"433819"	374.028823	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+NH4"	18.033823
"797001"	552.026323	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+NH4"	18.033823
"1691144"	196.031323	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+NH4"	18.033823
"340883"	187.5180495	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+H+NH4"	19.041099
"732936"	276.5167995	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+H+NH4"	19.041099
"1488944"	98.5192995	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H+NH4"	19.041099
"404344"	378.984218	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+Na"	22.989218
"764247"	556.981718	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+Na"	22.989218
"1611253"	200.986718	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Na"	22.989218
"321291"	189.995747	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+H+Na"	23.996494
"715900"	278.994497	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+H+Na"	23.996494
"1472636"	100.996997	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H+Na"	23.996494
"1065154"	67.66709	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2H+Na"	25.00377
"1269020"	211.030986	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+CH3OH+H"	33.033486
"388691"	394.958158	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+K"	38.963158
"749685"	572.955658	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+K"	38.963158
"1552831"	216.960658	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+K"	38.963158
"311102"	197.982717	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+H+K"	39.970434
"706075"	286.981467	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+H+K"	39.970434
"1458681"	108.983967	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H+K"	39.970434
"248129"	398.028826	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+ACN+H"	42.033826
"1215371"	220.031326	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+ACN+H"	42.033826
"1204719"	110.519301	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+ACN+2H"	43.041102
"193216"	400.96616	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+2Na-H"	44.97116
"638245"	578.96366	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+2Na-H"	44.97116
"1133004"	222.96866	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2Na-H"	44.97116
"175200"	200.986718	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+2Na"	45.978436
"614270"	289.985468	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+2Na"	45.978436
"1116197"	111.987968	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2Na"	45.978436
"1399154"	74.994404	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H+2Na"	46.985712
"1431839"	225.010246	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H+HCOOH"	47.012746
"226891"	206.01974	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+3H2O+2H"	56.04448
"1514955"	239.06229	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+IsoProp+H"	61.06479
"413547"	208.973688	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+Na+K"	61.952376
"774907"	297.972438	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+Na+K"	61.952376
"1665891"	119.974938	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Na+K"	61.952376
"253016"	420.010768	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+ACN+Na"	64.015768
"1232292"	242.013268	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+ACN+Na"	64.015768
"1721180"	242.036793	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+NH4+HCOOH"	64.039293
"1187628"	82.321718	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+3Na"	68.967654
"1659707"	246.992188	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Na+HCOOH"	68.994688
"172527"	432.91404	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+2K-H"	76.91904
"610504"	610.91154	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+2K-H"	76.91904
"1091737"	254.91654	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2K-H"	76.91904
"147460"	216.960658	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"2M+2K"	77.926316
"588115"	305.959408	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"3M+2K"	77.926316
"1073718"	127.961908	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2K"	77.926316
"1101827"	256.931092	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2K+H"	78.933592
"1338939"	257.018707	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+DMSO+H"	79.021207
"1010753"	261.057876	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2ACN+H"	83.060376
"1525599"	262.051508	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+IsoProp+Na+H"	84.054008
"994235"	131.032576	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+2ACN+2H"	84.067652
"1593117"	262.966128	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+K+HCOOH"	84.968628
"1414481"	292.997638	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+H+CF3COOH"	115.000138
"1149430"	151.545851	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+3ACN+2H"	125.094202
"1702991"	310.024185	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+NH4+CF3COOH"	132.026685
"1647390"	314.97958	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+Na+CF3COOH"	136.98208
"1581946"	330.95352	"C19331"	"Arsenobetaine"	"C5H11AsO2"	"177.9975"	"M+K+CF3COOH"	152.95602
"812312"	87.0684	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M"	0
"982564"	68.05001	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-H2O-H"	-19.01839
"77007"	57.038324	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M-3H"	-3.021828
"513648"	86.061124	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M-3H"	-3.021828
"888171"	28.015524	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-3H"	-3.021828
"6747"	86.061124	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M-2H"	-2.014552
"450681"	129.595324	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M-2H"	-2.014552
"824111"	42.526924	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-2H"	-2.014552
"88476"	173.129524	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M-H"	-1.007276
"519048"	260.197924	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M-H"	-1.007276
"896244"	86.061124	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-H"	-1.007276
"51470"	190.156071	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M-2H+NH4"	16.019271
"493221"	277.224471	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M-2H+NH4"	16.019271
"873939"	103.087671	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-2H+NH4"	16.019271
"31873"	195.111466	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M-2H+Na"	20.974666
"482862"	282.179866	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M-2H+Na"	20.974666
"856288"	108.043066	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-2H+Na"	20.974666
"1631665"	108.043066	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Na-2H"	20.974666
"104547"	104.049463	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M-H+Cl"	33.962126
"547266"	147.583663	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M-H+Cl"	33.962126
"937621"	60.515263	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-H+Cl"	33.962126
"279460"	209.106202	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+Cl"	34.969402
"672855"	296.174602	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+Cl"	34.969402
"1285015"	122.037802	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Cl"	34.969402
"27572"	211.085406	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M-2H+K"	36.948606
"465308"	298.153806	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M-2H+K"	36.948606
"842014"	124.017006	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-2H+K"	36.948606
"1565502"	124.017006	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+K-2H"	36.948606
"953386"	132.066594	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-H+HCOOH"	44.998194
"371602"	219.135001	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+HCOOH-H"	44.998201
"354391"	233.150651	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+Hac-H"	59.013851
"1494478"	146.082251	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Hac-H"	59.013851
"959222"	154.048551	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-H+NaCOOH"	66.980151
"112017"	122.037802	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+2Cl"	69.938804
"557045"	165.572002	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+2Cl"	69.938804
"1026938"	78.503602	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2Cl"	69.938804
"1242866"	165.987285	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Br"	78.918885
"1306412"	168.043272	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Cl+HCOOH"	80.974872
"1322816"	190.025229	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Cl+NaCOOH"	102.956829
"914241"	200.053986	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M-H+CF3COOH"	112.985586
"1296415"	236.030664	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Cl+CF3COOH"	148.962264
"1370202"	52.055724	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H-2H2O"	-35.012676
"1383681"	70.0657	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H-H2O"	-17.0027
"287388"	175.144076	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+H"	1.007276
"677621"	262.212476	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+H"	1.007276
"1356158"	88.075676	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H"	1.007276
"126979"	88.075676	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+2H"	2.014552
"566659"	131.609876	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+2H"	2.014552
"1037069"	44.541476	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2H"	2.014552
"219821"	59.052876	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+3H"	3.021828
"655811"	88.075676	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+3H"	3.021828
"1175030"	30.030076	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+3H"	3.021828
"433929"	192.170623	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+NH4"	18.033823
"798204"	279.239023	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+NH4"	18.033823
"1692347"	105.102223	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+NH4"	18.033823
"339533"	96.5889495	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+H+NH4"	19.041099
"735232"	140.1231495	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+H+NH4"	19.041099
"1489053"	53.0547495	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H+NH4"	19.041099
"403361"	197.126018	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+Na"	22.989218
"763264"	284.194418	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+Na"	22.989218
"1612456"	110.057618	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Na"	22.989218
"324682"	99.066647	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+H+Na"	23.996494
"721478"	142.600847	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+H+Na"	23.996494
"1475298"	55.532447	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H+Na"	23.996494
"1065264"	37.35739	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2H+Na"	25.00377
"1266943"	120.101886	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+CH3OH+H"	33.033486
"390987"	213.099958	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+K"	38.963158
"749796"	300.168358	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+K"	38.963158
"1553305"	126.031558	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+K"	38.963158
"310117"	107.053617	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+H+K"	39.970434
"703997"	150.587817	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+H+K"	39.970434
"1460245"	63.519417	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H+K"	39.970434
"249334"	216.170626	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+ACN+H"	42.033826
"1220946"	129.102226	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+ACN+H"	42.033826
"1203734"	65.054751	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+ACN+2H"	43.041102
"196606"	219.10796	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+2Na-H"	44.97116
"635075"	306.17636	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+2Na-H"	44.97116
"1133114"	132.03956	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2Na-H"	44.97116
"175310"	110.057618	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+2Na"	45.978436
"613650"	153.591818	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+2Na"	45.978436
"1116304"	66.523418	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2Na"	45.978436
"1400805"	44.684704	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H+2Na"	46.985712
"1431829"	134.081146	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H+HCOOH"	47.012746
"228094"	115.09064	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+3H2O+2H"	56.04448
"1515065"	148.13319	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+IsoProp+H"	61.06479
"414750"	118.044588	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+Na+K"	61.952376
"775746"	161.578788	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+Na+K"	61.952376
"1668795"	74.510388	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Na+K"	61.952376
"253126"	238.152568	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+ACN+Na"	64.015768
"1233495"	151.084168	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+ACN+Na"	64.015768
"1724569"	151.107693	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+NH4+HCOOH"	64.039293
"1191017"	52.012018	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+3Na"	68.967654
"1663096"	156.063088	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Na+HCOOH"	68.994688
"169970"	251.05584	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+2K-H"	76.91904
"612078"	338.12424	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+2K-H"	76.91904
"1095129"	163.98744	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2K-H"	76.91904
"156318"	126.031558	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"2M+2K"	77.926316
"592599"	169.565758	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"3M+2K"	77.926316
"1074921"	82.497358	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2K"	77.926316
"1105943"	166.001992	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2K+H"	78.933592
"1340142"	166.089607	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+DMSO+H"	79.021207
"1007583"	170.128776	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2ACN+H"	83.060376
"1525709"	171.122408	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+IsoProp+Na+H"	84.054008
"994347"	85.568026	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+2ACN+2H"	84.067652
"1591041"	172.037028	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+K+HCOOH"	84.968628
"1417792"	202.068538	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+H+CF3COOH"	115.000138
"1157924"	106.081301	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+3ACN+2H"	125.094202
"1703101"	219.095085	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+NH4+CF3COOH"	132.026685
"1644220"	224.05048	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+Na+CF3COOH"	136.98208
"1582056"	240.02442	"C19332"	"2-(1-Aziridinyl)ethanol;1-Aziridineethanol"	"C4H9NO"	"87.0684"	"M+K+CF3COOH"	152.95602
"805862"	338.1478	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M"	0
"975747"	319.12941	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-H2O-H"	-19.01839
"73106"	224.424590666667	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M-3H"	-3.021828
"514852"	337.140524	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M-3H"	-3.021828
"886095"	111.708657333333	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-3H"	-3.021828
"4671"	337.140524	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M-2H"	-2.014552
"445325"	506.214424	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M-2H"	-2.014552
"825314"	168.066624	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-2H"	-2.014552
"90774"	675.288324	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M-H"	-1.007276
"520130"	1013.436124	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M-H"	-1.007276
"898300"	337.140524	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-H"	-1.007276
"52674"	692.314871	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M-2H+NH4"	16.019271
"487608"	1030.462671	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M-2H+NH4"	16.019271
"867853"	354.167071	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-2H+NH4"	16.019271
"32467"	697.270266	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M-2H+Na"	20.974666
"479691"	1035.418066	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M-2H+Na"	20.974666
"850931"	359.122466	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-2H+Na"	20.974666
"1631778"	359.122466	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Na-2H"	20.974666
"108793"	355.128863	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M-H+Cl"	33.962126
"548961"	524.202763	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M-H+Cl"	33.962126
"941990"	186.054963	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-H+Cl"	33.962126
"281638"	711.265002	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+Cl"	34.969402
"674185"	1049.412802	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+Cl"	34.969402
"1287438"	373.117202	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Cl"	34.969402
"29868"	713.244206	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M-2H+K"	36.948606
"468698"	1051.392006	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M-2H+K"	36.948606
"845404"	375.096406	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-2H+K"	36.948606
"1565612"	375.096406	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+K-2H"	36.948606
"954225"	383.145994	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-H+HCOOH"	44.998194
"373900"	721.293801	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+HCOOH-H"	44.998201
"353408"	735.309451	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+Hac-H"	59.013851
"1495683"	397.161651	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Hac-H"	59.013851
"959454"	405.127951	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-H+NaCOOH"	66.980151
"111036"	373.117202	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+2Cl"	69.938804
"551320"	542.191102	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+2Cl"	69.938804
"1023036"	204.043302	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2Cl"	69.938804
"1243342"	417.066685	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Br"	78.918885
"1305061"	419.122672	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Cl+HCOOH"	80.974872
"1327666"	441.104629	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Cl+NaCOOH"	102.956829
"916537"	451.133386	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M-H+CF3COOH"	112.985586
"1294338"	487.110064	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Cl+CF3COOH"	148.962264
"1371408"	303.135124	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H-2H2O"	-35.012676
"1387446"	321.1451	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H-H2O"	-17.0027
"290778"	677.302876	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+H"	1.007276
"679188"	1015.450676	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+H"	1.007276
"1358457"	339.155076	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H"	1.007276
"129521"	339.155076	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+2H"	2.014552
"568718"	508.228976	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+2H"	2.014552
"1040067"	170.081176	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2H"	2.014552
"217090"	226.439142666667	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+3H"	3.021828
"654827"	339.155076	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+3H"	3.021828
"1171859"	113.723209333333	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+3H"	3.021828
"432943"	694.329423	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+NH4"	18.033823
"792846"	1032.477223	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+NH4"	18.033823
"1693553"	356.181623	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+NH4"	18.033823
"340736"	347.6683495	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+H+NH4"	19.041099
"733159"	516.7422495	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+H+NH4"	19.041099
"1488072"	178.5944495	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H+NH4"	19.041099
"402379"	699.284818	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+Na"	22.989218
"760094"	1037.432618	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+Na"	22.989218
"1611473"	361.137018	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Na"	22.989218
"326981"	350.146047	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+H+Na"	23.996494
"719401"	519.219947	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+H+Na"	23.996494
"1471035"	181.072147	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H+Na"	23.996494
"1062092"	121.050523333333	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2H+Na"	25.00377
"1265959"	371.181286	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+CH3OH+H"	33.033486
"386720"	715.258758	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+K"	38.963158
"747716"	1053.406558	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+K"	38.963158
"1547578"	377.110958	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+K"	38.963158
"311315"	358.133017	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+H+K"	39.970434
"704831"	527.206917	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+H+K"	39.970434
"1457558"	189.059117	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H+K"	39.970434
"245067"	718.329426	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+ACN+H"	42.033826
"1215587"	380.181626	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+ACN+H"	42.033826
"1198376"	190.594451	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+ACN+2H"	43.041102
"193435"	721.26676	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+2Na-H"	44.97116
"630809"	1059.41456	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+2Na-H"	44.97116
"1132854"	383.11896	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2Na-H"	44.97116
"174443"	361.137018	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+2Na"	45.978436
"614731"	530.210918	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+2Na"	45.978436
"1116903"	192.063118	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2Na"	45.978436
"1399697"	128.377837333333	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H+2Na"	46.985712
"1430963"	385.160546	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H+HCOOH"	47.012746
"223827"	366.17004	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+3H2O+2H"	56.04448
"1515173"	399.21259	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+IsoProp+H"	61.06479
"414861"	369.123988	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+Na+K"	61.952376
"774765"	538.197888	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+Na+K"	61.952376
"1668908"	200.050088	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Na+K"	61.952376
"257615"	740.311368	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+ACN+Na"	64.015768
"1233609"	402.163568	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+ACN+Na"	64.015768
"1721402"	402.187093	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+NH4+HCOOH"	64.039293
"1191130"	135.705151333333	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+3Na"	68.967654
"1657742"	407.142488	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Na+HCOOH"	68.994688
"167886"	753.21464	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+2K-H"	76.91904
"607446"	1091.36244	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+2K-H"	76.91904
"1096333"	415.06684	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2K-H"	76.91904
"150963"	377.110958	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"2M+2K"	77.926316
"590525"	546.184858	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"3M+2K"	77.926316
"1078315"	208.037058	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2K"	77.926316
"1103872"	417.081392	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2K+H"	78.933592
"1342443"	417.169007	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+DMSO+H"	79.021207
"1010973"	421.208176	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2ACN+H"	83.060376
"1525452"	422.201808	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+IsoProp+Na+H"	84.054008
"994455"	211.107726	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+2ACN+2H"	84.067652
"1587378"	423.116428	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+K+HCOOH"	84.968628
"1415713"	453.147938	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+H+CF3COOH"	115.000138
"1150376"	231.621001	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+3ACN+2H"	125.094202
"1699929"	470.174485	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+NH4+CF3COOH"	132.026685
"1644330"	475.12988	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+Na+CF3COOH"	136.98208
"1582166"	491.10382	"C19333"	"Aziridyl benzoquinone;Benzoquinone aziridine"	"C16H22N2O6"	"338.1478"	"M+K+CF3COOH"	152.95602
"805971"	182.0844	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M"	0
"976224"	163.06601	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-H2O-H"	-19.01839
"76496"	120.382324	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M-3H"	-3.021828
"516055"	181.077124	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M-3H"	-3.021828
"890579"	59.687524	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-3H"	-3.021828
"10249"	181.077124	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M-2H"	-2.014552
"447621"	272.119324	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M-2H"	-2.014552
"827609"	90.034924	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-2H"	-2.014552
"87600"	363.161524	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M-H"	-1.007276
"522792"	545.245924	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M-H"	-1.007276
"900593"	181.077124	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-H"	-1.007276
"50593"	380.188071	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M-2H+NH4"	16.019271
"488208"	562.272471	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M-2H+NH4"	16.019271
"866249"	198.103671	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-2H+NH4"	16.019271
"32328"	385.143466	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M-2H+Na"	20.974666
"472261"	567.227866	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M-2H+Na"	20.974666
"854321"	203.059066	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-2H+Na"	20.974666
"1631521"	203.059066	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Na-2H"	20.974666
"109508"	199.065463	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M-H+Cl"	33.962126
"548458"	290.107663	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M-H+Cl"	33.962126
"941610"	108.023263	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-H+Cl"	33.962126
"282599"	399.138202	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+Cl"	34.969402
"673926"	581.222602	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+Cl"	34.969402
"1287794"	217.053802	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Cl"	34.969402
"30342"	401.117406	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M-2H+K"	36.948606
"469537"	583.201806	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M-2H+K"	36.948606
"845514"	219.033006	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-2H+K"	36.948606
"1570463"	219.033006	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+K-2H"	36.948606
"955064"	227.082594	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-H+HCOOH"	44.998194
"374011"	409.167001	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+HCOOH-H"	44.998201
"355705"	423.182651	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+Hac-H"	59.013851
"1499073"	241.098251	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Hac-H"	59.013851
"959075"	249.064551	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-H+NaCOOH"	66.980151
"110778"	217.053802	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+2Cl"	69.938804
"550699"	308.096002	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+2Cl"	69.938804
"1022781"	126.011602	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2Cl"	69.938804
"1243451"	261.003285	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Br"	78.918885
"1304930"	263.059272	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Cl+HCOOH"	80.974872
"1327776"	285.041229	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Cl+NaCOOH"	102.956829
"914459"	295.069986	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M-H+CF3COOH"	112.985586
"1291531"	331.046664	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Cl+CF3COOH"	148.962264
"1370057"	147.071724	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H-2H2O"	-35.012676
"1384273"	165.0817	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H-H2O"	-17.0027
"288701"	365.176076	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+H"	1.007276
"677111"	547.260476	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+H"	1.007276
"1354190"	183.091676	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H"	1.007276
"128901"	183.091676	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+2H"	2.014552
"568098"	274.133876	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+2H"	2.014552
"1038352"	92.049476	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2H"	2.014552
"218293"	122.396876	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+3H"	3.021828
"654937"	183.091676	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+3H"	3.021828
"1177438"	61.702076	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+3H"	3.021828
"434149"	382.202623	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+NH4"	18.033823
"797330"	564.287023	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+NH4"	18.033823
"1692567"	200.118223	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+NH4"	18.033823
"338657"	191.6049495	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+H+NH4"	19.041099
"734360"	282.6471495	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+H+NH4"	19.041099
"1491461"	100.5627495	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H+NH4"	19.041099
"404673"	387.158018	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+Na"	22.989218
"760204"	569.242418	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+Na"	22.989218
"1611583"	205.073618	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Na"	22.989218
"326727"	194.082647	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+H+Na"	23.996494
"718417"	285.124847	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+H+Na"	23.996494
"1473332"	103.040447	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H+Na"	23.996494
"1062206"	69.02939	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2H+Na"	25.00377
"1266070"	215.117886	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+CH3OH+H"	33.033486
"386831"	403.131958	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+K"	38.963158
"745640"	585.216358	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+K"	38.963158
"1547690"	221.047558	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+K"	38.963158
"309238"	202.069617	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+H+K"	39.970434
"703848"	293.111817	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+H+K"	39.970434
"1453296"	111.027417	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H+K"	39.970434
"240438"	406.202626	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+ACN+H"	42.033826
"1213511"	224.118226	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+ACN+H"	42.033826
"1196665"	112.562751	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+ACN+2H"	43.041102
"190749"	409.13996	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+2Na-H"	44.97116
"631282"	591.22436	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+2Na-H"	44.97116
"1132722"	227.05556	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2Na-H"	44.97116
"173949"	205.073618	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+2Na"	45.978436
"614354"	296.115818	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+2Na"	45.978436
"1116526"	114.031418	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2Na"	45.978436
"1399931"	76.356704	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H+2Na"	46.985712
"1430831"	229.097146	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H+HCOOH"	47.012746
"223938"	210.10664	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+3H2O+2H"	56.04448
"1509935"	243.14919	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+IsoProp+H"	61.06479
"412782"	213.060588	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+Na+K"	61.952376
"778155"	304.102788	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+Na+K"	61.952376
"1669017"	122.018388	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Na+K"	61.952376
"255538"	428.184568	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+ACN+Na"	64.015768
"1229341"	246.100168	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+ACN+Na"	64.015768
"1722603"	246.123693	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+NH4+HCOOH"	64.039293
"1190147"	83.684018	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+3Na"	68.967654
"1657852"	251.079088	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Na+HCOOH"	68.994688
"167996"	441.08784	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+2K-H"	76.91904
"608649"	623.17224	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+2K-H"	76.91904
"1097536"	259.00344	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2K-H"	76.91904
"154719"	221.047558	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"2M+2K"	77.926316
"589541"	312.089758	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"3M+2K"	77.926316
"1074051"	130.005358	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2K"	77.926316
"1106168"	261.017992	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2K+H"	78.933592
"1339273"	261.105607	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+DMSO+H"	79.021207
"1008895"	265.144776	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2ACN+H"	83.060376
"1525929"	266.138408	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+IsoProp+Na+H"	84.054008
"994565"	133.076026	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+2ACN+2H"	84.067652
"1587364"	267.053028	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+K+HCOOH"	84.968628
"1414842"	297.084538	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+H+CF3COOH"	115.000138
"1151579"	153.589301	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+3ACN+2H"	125.094202
"1700039"	314.111085	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+NH4+CF3COOH"	132.026685
"1647719"	319.06648	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+Na+CF3COOH"	136.98208
"1582276"	335.04042	"C19334"	"Azobenzene"	"C12H10N2"	"182.0844"	"M+K+CF3COOH"	152.95602
"816172"	240.0939	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M"	0
"986176"	221.07551	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-H2O-H"	-19.01839
"77701"	159.055324	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M-3H"	-3.021828
"517262"	239.086624	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M-3H"	-3.021828
"893971"	79.024024	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-3H"	-3.021828
"11453"	239.086624	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M-2H"	-2.014552
"452106"	359.133574	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M-2H"	-2.014552
"823348"	119.039674	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-2H"	-2.014552
"88806"	479.180524	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M-H"	-1.007276
"520719"	719.274424	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M-H"	-1.007276
"899613"	239.086624	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-H"	-1.007276
"56174"	496.207071	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M-2H+NH4"	16.019271
"488440"	736.300971	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M-2H+NH4"	16.019271
"866005"	256.113171	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-2H+NH4"	16.019271
"32564"	501.162466	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M-2H+Na"	20.974666
"472737"	741.256366	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M-2H+Na"	20.974666
"854431"	261.068566	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-2H+Na"	20.974666
"1632361"	261.068566	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Na-2H"	20.974666
"107799"	257.074963	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M-H+Cl"	33.962126
"545536"	377.121913	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M-H+Cl"	33.962126
"941603"	137.028013	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-H+Cl"	33.962126
"281735"	515.157202	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+Cl"	34.969402
"668934"	755.251102	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+Cl"	34.969402
"1288022"	275.063302	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Cl"	34.969402
"31103"	517.136406	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M-2H+K"	36.948606
"467825"	757.230306	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M-2H+K"	36.948606
"842347"	277.042506	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-2H+K"	36.948606
"1568750"	277.042506	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+K-2H"	36.948606
"954814"	285.092094	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-H+HCOOH"	44.998194
"373030"	525.186001	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+HCOOH-H"	44.998201
"356913"	539.201651	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+Hac-H"	59.013851
"1495905"	299.107751	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Hac-H"	59.013851
"959305"	307.074051	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-H+NaCOOH"	66.980151
"111857"	275.063302	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+2Cl"	69.938804
"551782"	395.110252	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+2Cl"	69.938804
"1023620"	155.016352	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2Cl"	69.938804
"1242470"	319.012785	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Br"	78.918885
"1305043"	321.068772	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Cl+HCOOH"	80.974872
"1322055"	343.050729	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Cl+NaCOOH"	102.956829
"914933"	353.079486	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M-H+CF3COOH"	112.985586
"1290548"	389.056164	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Cl+CF3COOH"	148.962264
"1371628"	205.081224	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H-2H2O"	-35.012676
"1393498"	223.0912	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H-H2O"	-17.0027
"294278"	481.195076	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+H"	1.007276
"685608"	721.288976	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+H"	1.007276
"1356489"	241.101176	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H"	1.007276
"133752"	241.101176	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+2H"	2.014552
"572219"	361.148126	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+2H"	2.014552
"1047583"	121.054226	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2H"	2.014552
"219465"	161.069876	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+3H"	3.021828
"656505"	241.101176	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+3H"	3.021828
"1176820"	81.038576	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+3H"	3.021828
"435352"	498.221623	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+NH4"	18.033823
"800114"	738.315523	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+NH4"	18.033823
"1693773"	258.127723	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+NH4"	18.033823
"343141"	249.6144495	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+H+NH4"	19.041099
"733376"	369.6613995	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+H+NH4"	19.041099
"1488291"	129.5674995	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H+NH4"	19.041099
"400411"	503.177018	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+Na"	22.989218
"767972"	743.270918	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+Na"	22.989218
"1616801"	263.083118	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Na"	22.989218
"329145"	252.092147	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+H+Na"	23.996494
"719623"	372.139097	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+H+Na"	23.996494
"1469069"	132.045197	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H+Na"	23.996494
"1061220"	88.36589	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2H+Na"	25.00377
"1260713"	273.127386	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+CH3OH+H"	33.033486
"385850"	519.150958	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+K"	38.963158
"749031"	759.244858	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+K"	38.963158
"1551082"	279.057058	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+K"	38.963158
"307164"	260.079117	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+H+K"	39.970434
"699586"	380.126067	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+H+K"	39.970434
"1455592"	140.032167	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H+K"	39.970434
"240914"	522.221626	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+ACN+H"	42.033826
"1213623"	282.127726	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+ACN+H"	42.033826
"1196414"	141.567501	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+ACN+2H"	43.041102
"192564"	525.15896	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+2Na-H"	44.97116
"629939"	765.25286	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+2Na-H"	44.97116
"1131783"	285.06506	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2Na-H"	44.97116
"175638"	263.083118	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+2Na"	45.978436
"615199"	383.130068	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+2Na"	45.978436
"1116155"	143.036168	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2Na"	45.978436
"1399558"	95.693204	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H+2Na"	46.985712
"1430374"	287.106646	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H+HCOOH"	47.012746
"225141"	268.11614	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+3H2O+2H"	56.04448
"1518674"	301.15869	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+IsoProp+H"	61.06479
"412894"	271.070088	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+Na+K"	61.952376
"776079"	391.117038	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+Na+K"	61.952376
"1670222"	151.023138	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Na+K"	61.952376
"261116"	544.203568	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+ACN+Na"	64.015768
"1236016"	304.109668	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+ACN+Na"	64.015768
"1723806"	304.133193	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+NH4+HCOOH"	64.039293
"1193537"	103.020518	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+3Na"	68.967654
"1660149"	309.088588	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Na+HCOOH"	68.994688
"172482"	557.10684	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+2K-H"	76.91904
"605479"	797.20074	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+2K-H"	76.91904
"1099347"	317.01294	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2K-H"	76.91904
"151181"	279.057058	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"2M+2K"	77.926316
"588555"	399.104008	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"3M+2K"	77.926316
"1076350"	159.010108	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2K"	77.926316
"1108466"	319.027492	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2K+H"	78.933592
"1341571"	319.115107	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+DMSO+H"	79.021207
"1007910"	323.154276	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2ACN+H"	83.060376
"1527132"	324.147908	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+IsoProp+Na+H"	84.054008
"995770"	162.080776	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+2ACN+2H"	84.067652
"1593555"	325.062528	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+K+HCOOH"	84.968628
"1415326"	355.094038	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+H+CF3COOH"	115.000138
"1150599"	182.594051	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+3ACN+2H"	125.094202
"1706711"	372.120585	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+NH4+CF3COOH"	132.026685
"1649531"	377.07598	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+Na+CF3COOH"	136.98208
"1582386"	393.04992	"C19335"	"11H-Benzbcaceanthrylene"	"C19H12"	"240.0939"	"M+K+CF3COOH"	152.95602
"806191"	252.0939	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M"	0
"975713"	233.07551	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"69061"	167.055324	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"510808"	251.086624	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"895597"	83.024024	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"13754"	251.086624	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"454039"	377.133574	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"829654"	125.039674	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"82720"	503.180524	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"521920"	755.274424	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"900814"	251.086624	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"48019"	520.207071	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"488550"	772.300971	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"864306"	268.113171	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"31901"	525.162466	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"471784"	777.256366	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"853448"	273.068566	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1628460"	273.068566	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"107905"	269.074963	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"548921"	395.121913	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"941343"	143.028013	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"281724"	539.157202	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"673416"	791.251102	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1286791"	287.063302	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"29468"	541.136406	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"466841"	793.230306	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"844645"	289.042506	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1569832"	289.042506	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"958170"	297.092094	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"376420"	549.186001	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"358119"	563.201651	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1502575"	311.107751	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"959302"	319.074051	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"110754"	287.063302	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"550678"	413.110252	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1022638"	161.016352	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1241850"	331.012785	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1304783"	333.068772	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1321797"	355.050729	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"912856"	365.079486	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1291023"	401.056164	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1369550"	217.081224	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1387048"	235.0912	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"291108"	505.195076	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"683531"	757.288976	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1356599"	253.101176	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H"	1.007276
"133862"	253.101176	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"572329"	379.148126	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1049879"	127.054226	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"219734"	169.069876	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"656249"	253.101176	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1176563"	85.038576	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"434369"	522.221623	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"796456"	774.315523	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1691695"	270.127723	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"341066"	261.6144495	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"736768"	387.6613995	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1492294"	135.5674995	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"406959"	527.177018	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"768084"	779.270918	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1616184"	275.083118	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"325126"	264.092147	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"715360"	390.139097	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1466992"	138.045197	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1056960"	92.36589	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1263011"	285.127386	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"383774"	543.150958	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"745858"	795.244858	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1545724"	291.057058	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+K"	38.963158
"306179"	272.079117	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"696414"	398.126067	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1451329"	146.032167	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"239931"	546.221626	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1212640"	294.127726	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1196524"	147.567501	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"189395"	549.15896	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"628670"	801.25286	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1131529"	297.06506	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"176111"	275.083118	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"614215"	401.130068	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1116138"	149.036168	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1398512"	99.693204	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1429937"	299.106646	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"226344"	280.11614	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1515504"	313.15869	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"415192"	283.070088	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"773273"	409.117038	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1669239"	157.023138	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"253935"	568.203568	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1229560"	316.109668	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1717353"	316.133193	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1188179"	107.020518	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1656978"	321.088588	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"171496"	581.10684	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"608869"	833.20074	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1098848"	329.01294	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"150198"	291.057058	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"588664"	417.104008	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1076460"	165.010108	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1104201"	331.027492	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1340588"	331.115107	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1008024"	335.154276	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1526149"	336.147908	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"996974"	168.080776	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1595852"	337.062528	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1415194"	367.094038	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1153989"	188.594051	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1706821"	384.120585	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1649521"	389.07598	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1582496"	405.04992	"C19336"	"Benzlaceanthrylene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"803021"	229.0891	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M"	0
"974851"	210.07071	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-H2O-H"	-19.01839
"74640"	151.718790666667	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M-3H"	-3.021828
"512012"	228.081824	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M-3H"	-3.021828
"889817"	75.3557573333333	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-3H"	-3.021828
"12405"	228.081824	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M-2H"	-2.014552
"453420"	342.626374	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M-2H"	-2.014552
"827942"	113.537274	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-2H"	-2.014552
"82466"	457.170924	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M-H"	-1.007276
"519354"	686.260024	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M-H"	-1.007276
"899830"	228.081824	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-H"	-1.007276
"49831"	474.197471	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M-2H+NH4"	16.019271
"487315"	703.286571	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M-2H+NH4"	16.019271
"865126"	245.108371	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-2H+NH4"	16.019271
"31515"	479.152866	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M-2H+Na"	20.974666
"471468"	708.241966	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M-2H+Na"	20.974666
"853558"	250.063766	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-2H+Na"	20.974666
"1628569"	250.063766	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Na-2H"	20.974666
"105829"	246.070163	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M-H+Cl"	33.962126
"547573"	360.614713	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M-H+Cl"	33.962126
"939264"	131.525613	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-H+Cl"	33.962126
"280010"	493.147602	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+Cl"	34.969402
"672434"	722.236702	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+Cl"	34.969402
"1286777"	264.058502	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Cl"	34.969402
"28485"	495.126806	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M-2H+K"	36.948606
"465858"	724.215906	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M-2H+K"	36.948606
"844755"	266.037706	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-2H+K"	36.948606
"1569942"	266.037706	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+K-2H"	36.948606
"957219"	274.087294	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-H+HCOOH"	44.998194
"375073"	503.176401	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+HCOOH-H"	44.998201
"358227"	517.192051	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+Hac-H"	59.013851
"1499404"	288.102951	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Hac-H"	59.013851
"959291"	296.069251	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-H+NaCOOH"	66.980151
"110007"	264.058502	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+2Cl"	69.938804
"550420"	378.603052	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+2Cl"	69.938804
"1022020"	149.513952	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2Cl"	69.938804
"1241955"	308.007985	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Br"	78.918885
"1304772"	310.063972	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Cl+HCOOH"	80.974872
"1321909"	332.045929	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Cl+NaCOOH"	102.956829
"913330"	342.074686	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M-H+CF3COOH"	112.985586
"1291132"	378.051364	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Cl+CF3COOH"	148.962264
"1370025"	194.076424	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H-2H2O"	-35.012676
"1388251"	212.0864	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H-H2O"	-17.0027
"290124"	459.185476	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+H"	1.007276
"681454"	688.274576	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+H"	1.007276
"1355616"	230.096376	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H"	1.007276
"128504"	230.096376	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+2H"	2.014552
"571346"	344.640926	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+2H"	2.014552
"1048896"	115.551826	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2H"	2.014552
"219868"	153.733342666667	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+3H"	3.021828
"656726"	230.096376	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+3H"	3.021828
"1175580"	77.3703093333333	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+3H"	3.021828
"435572"	476.212023	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+NH4"	18.033823
"795472"	705.301123	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+NH4"	18.033823
"1691805"	247.122923	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+NH4"	18.033823
"343362"	238.6096495	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+H+NH4"	19.041099
"737122"	353.1541995	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+H+NH4"	19.041099
"1491794"	124.0650995	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H+NH4"	19.041099
"406826"	481.167418	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+Na"	22.989218
"764909"	710.256518	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+Na"	22.989218
"1611913"	252.078318	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Na"	22.989218
"327421"	241.087347	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+H+Na"	23.996494
"716563"	355.631897	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+H+Na"	23.996494
"1466011"	126.542797	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H+Na"	23.996494
"1056340"	84.6976233333333	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2H+Na"	25.00377
"1259112"	262.122586	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+CH3OH+H"	33.033486
"382792"	497.141358	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+K"	38.963158
"742690"	726.230458	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+K"	38.963158
"1544741"	268.052258	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+K"	38.963158
"303010"	249.074317	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+H+K"	39.970434
"694338"	363.618867	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+H+K"	39.970434
"1448159"	134.529767	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H+K"	39.970434
"238948"	500.212026	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+ACN+H"	42.033826
"1211048"	271.122926	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+ACN+H"	42.033826
"1196634"	136.065101	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+ACN+2H"	43.041102
"189141"	503.14936	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+2Na-H"	44.97116
"631253"	732.23846	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+2Na-H"	44.97116
"1131719"	274.06026	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2Na-H"	44.97116
"174397"	252.078318	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+2Na"	45.978436
"614686"	366.622868	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+2Na"	45.978436
"1116085"	137.533768	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2Na"	45.978436
"1398762"	92.0249373333333	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H+2Na"	46.985712
"1430103"	276.101846	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H+HCOOH"	47.012746
"223539"	257.11134	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+3H2O+2H"	56.04448
"1514521"	290.15389	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+IsoProp+H"	61.06479
"413115"	260.065288	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+Na+K"	61.952376
"772288"	374.609838	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+Na+K"	61.952376
"1672629"	145.520738	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Na+K"	61.952376
"254775"	522.193968	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+ACN+Na"	64.015768
"1231856"	293.104868	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+ACN+Na"	64.015768
"1717463"	293.128393	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+NH4+HCOOH"	64.039293
"1186103"	99.3522513333333	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+3Na"	68.967654
"1657088"	298.083788	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Na+HCOOH"	68.994688
"170513"	535.09724	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+2K-H"	76.91904
"611166"	764.18634	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+2K-H"	76.91904
"1097744"	306.00814	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2K-H"	76.91904
"151401"	268.052258	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"2M+2K"	77.926316
"590962"	382.596808	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"3M+2K"	77.926316
"1072557"	153.507708	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2K"	77.926316
"1105404"	308.022692	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2K+H"	78.933592
"1337418"	308.110307	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+DMSO+H"	79.021207
"1006308"	312.149476	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2ACN+H"	83.060376
"1525528"	313.143108	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+IsoProp+Na+H"	84.054008
"998177"	156.578376	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+2ACN+2H"	84.067652
"1594869"	314.057728	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+K+HCOOH"	84.968628
"1415183"	344.089238	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+H+CF3COOH"	115.000138
"1153006"	177.091651	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+3ACN+2H"	125.094202
"1706931"	361.115785	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+NH4+CF3COOH"	132.026685
"1649143"	366.07118	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+Na+CF3COOH"	136.98208
"1582606"	382.04512	"C19337"	"Benzaacridine"	"C17H11N"	"229.0891"	"M+K+CF3COOH"	152.95602
"807505"	229.0891	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M"	0
"976663"	210.07071	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-H2O-H"	-19.01839
"76936"	151.718790666667	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M-3H"	-3.021828
"514308"	228.081824	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M-3H"	-3.021828
"889927"	75.3557573333333	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-3H"	-3.021828
"13972"	228.081824	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M-2H"	-2.014552
"454259"	342.626374	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M-2H"	-2.014552
"826959"	113.537274	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-2H"	-2.014552
"83669"	457.170924	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M-H"	-1.007276
"519219"	686.260024	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M-H"	-1.007276
"901035"	228.081824	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-H"	-1.007276
"51035"	474.197471	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M-2H+NH4"	16.019271
"488651"	703.286571	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M-2H+NH4"	16.019271
"864870"	245.108371	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-2H+NH4"	16.019271
"32279"	479.152866	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M-2H+Na"	20.974666
"472326"	708.241966	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M-2H+Na"	20.974666
"854032"	250.063766	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-2H+Na"	20.974666
"1631231"	250.063766	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Na-2H"	20.974666
"105937"	246.070163	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M-H+Cl"	33.962126
"548413"	360.614713	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M-H+Cl"	33.962126
"939374"	131.525613	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-H+Cl"	33.962126
"282065"	493.147602	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+Cl"	34.969402
"674487"	722.236702	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+Cl"	34.969402
"1284942"	264.058502	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Cl"	34.969402
"29202"	495.126806	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M-2H+K"	36.948606
"469248"	724.215906	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M-2H+K"	36.948606
"845229"	266.037706	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-2H+K"	36.948606
"1567258"	266.037706	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+K-2H"	36.948606
"956235"	274.087294	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-H+HCOOH"	44.998194
"376640"	503.176401	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+HCOOH-H"	44.998201
"357969"	517.192051	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+Hac-H"	59.013851
"1505347"	288.102951	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Hac-H"	59.013851
"962681"	296.069251	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-H+NaCOOH"	66.980151
"113776"	264.058502	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+2Cl"	69.938804
"550776"	378.603052	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+2Cl"	69.938804
"1022494"	149.513952	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2Cl"	69.938804
"1242073"	308.007985	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Br"	78.918885
"1304881"	310.063972	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Cl+HCOOH"	80.974872
"1320559"	332.045929	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Cl+NaCOOH"	102.956829
"914535"	342.074686	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M-H+CF3COOH"	112.985586
"1291241"	378.051364	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Cl+CF3COOH"	148.962264
"1369403"	194.076424	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H-2H2O"	-35.012676
"1386538"	212.0864	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H-H2O"	-17.0027
"291327"	459.185476	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+H"	1.007276
"679740"	688.274576	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+H"	1.007276
"1354630"	230.096376	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H"	1.007276
"132988"	230.096376	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+2H"	2.014552
"574737"	344.640926	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+2H"	2.014552
"1044630"	115.551826	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2H"	2.014552
"219748"	153.733342666667	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+3H"	3.021828
"653190"	230.096376	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+3H"	3.021828
"1175689"	77.3703093333333	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+3H"	3.021828
"437867"	476.212023	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+NH4"	18.033823
"798863"	705.301123	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+NH4"	18.033823
"1691914"	247.122923	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+NH4"	18.033823
"344569"	238.6096495	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+H+NH4"	19.041099
"737718"	353.1541995	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+H+NH4"	19.041099
"1492394"	124.0650995	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H+NH4"	19.041099
"406208"	481.167418	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+Na"	22.989218
"765019"	710.256518	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+Na"	22.989218
"1612023"	252.078318	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Na"	22.989218
"327896"	241.087347	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+H+Na"	23.996494
"719589"	355.631897	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+H+Na"	23.996494
"1469400"	126.542797	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H+Na"	23.996494
"1054992"	84.6976233333333	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2H+Na"	25.00377
"1259951"	262.122586	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+CH3OH+H"	33.033486
"387274"	497.141358	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+K"	38.963158
"751547"	726.230458	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+K"	38.963158
"1547039"	268.052258	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+K"	38.963158
"305308"	249.074317	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+H+K"	39.970434
"696634"	363.618867	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+H+K"	39.970434
"1452643"	134.529767	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H+K"	39.970434
"243432"	500.212026	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+ACN+H"	42.033826
"1212861"	271.122926	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+ACN+H"	42.033826
"1194435"	136.065101	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+ACN+2H"	43.041102
"189981"	503.14936	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+2Na-H"	44.97116
"629292"	732.23846	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+2Na-H"	44.97116
"1133404"	274.06026	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2Na-H"	44.97116
"173822"	252.078318	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+2Na"	45.978436
"613951"	366.622868	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+2Na"	45.978436
"1116486"	137.533768	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2Na"	45.978436
"1398956"	92.0249373333333	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H+2Na"	46.985712
"1430254"	276.101846	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H+HCOOH"	47.012746
"221092"	257.11134	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+3H2O+2H"	56.04448
"1519006"	290.15389	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+IsoProp+H"	61.06479
"419787"	260.065288	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+Na+K"	61.952376
"780782"	374.609838	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+Na+K"	61.952376
"1674927"	145.520738	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Na+K"	61.952376
"263633"	522.193968	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+ACN+Na"	64.015768
"1233061"	293.104868	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+ACN+Na"	64.015768
"1717573"	293.128393	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+NH4+HCOOH"	64.039293
"1190584"	99.3522513333333	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+3Na"	68.967654
"1664488"	298.083788	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Na+HCOOH"	68.994688
"169535"	535.09724	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+2K-H"	76.91904
"609820"	764.18634	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+2K-H"	76.91904
"1097247"	306.00814	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2K-H"	76.91904
"153697"	268.052258	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"2M+2K"	77.926316
"593258"	382.596808	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"3M+2K"	77.926316
"1071573"	153.507708	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2K"	77.926316
"1107700"	308.022692	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2K+H"	78.933592
"1338621"	308.110307	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+DMSO+H"	79.021207
"1006419"	312.149476	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2ACN+H"	83.060376
"1525395"	313.143108	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+IsoProp+Na+H"	84.054008
"990386"	156.578376	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+2ACN+2H"	84.067652
"1592793"	314.057728	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+K+HCOOH"	84.968628
"1416631"	344.089238	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+H+CF3COOH"	115.000138
"1156397"	177.091651	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+3ACN+2H"	125.094202
"1707041"	361.115785	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+NH4+CF3COOH"	132.026685
"1644880"	366.07118	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+Na+CF3COOH"	136.98208
"1582716"	382.04512	"C19338"	"Benzcacridine;12-Azabenzaanthracene"	"C17H11N"	"229.0891"	"M+K+CF3COOH"	152.95602
"805427"	278.1096	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M"	0
"980053"	259.09121	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-H2O-H"	-19.01839
"77046"	184.399124	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M-3H"	-3.021828
"514418"	277.102324	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M-3H"	-3.021828
"894776"	91.695924	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-3H"	-3.021828
"15609"	277.102324	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M-2H"	-2.014552
"454006"	416.157124	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M-2H"	-2.014552
"829256"	138.047524	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-2H"	-2.014552
"85966"	555.211924	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M-H"	-1.007276
"521157"	833.321524	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M-H"	-1.007276
"897864"	277.102324	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-H"	-1.007276
"52238"	572.238471	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M-2H+NH4"	16.019271
"489002"	850.348071	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M-2H+NH4"	16.019271
"868505"	294.128871	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-2H+NH4"	16.019271
"33125"	577.193866	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M-2H+Na"	20.974666
"472029"	855.303466	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M-2H+Na"	20.974666
"851586"	299.084266	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-2H+Na"	20.974666
"1628425"	299.084266	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Na-2H"	20.974666
"104223"	295.090663	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M-H+Cl"	33.962126
"545970"	434.145463	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M-H+Cl"	33.962126
"939484"	156.035863	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-H+Cl"	33.962126
"279137"	591.188602	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+Cl"	34.969402
"671560"	869.298202	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+Cl"	34.969402
"1283959"	313.079002	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Cl"	34.969402
"27608"	593.167806	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M-2H+K"	36.948606
"457693"	871.277406	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M-2H+K"	36.948606
"841692"	315.058206	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-2H+K"	36.948606
"1568461"	315.058206	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+K-2H"	36.948606
"956345"	323.107794	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-H+HCOOH"	44.998194
"375294"	601.217401	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+HCOOH-H"	44.998201
"359537"	615.233051	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+Hac-H"	59.013851
"1505093"	337.123451	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Hac-H"	59.013851
"961698"	345.089751	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-H+NaCOOH"	66.980151
"113886"	313.079002	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+2Cl"	69.938804
"551620"	452.133802	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+2Cl"	69.938804
"1023336"	174.024202	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2Cl"	69.938804
"1241819"	357.028485	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Br"	78.918885
"1307186"	359.084472	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Cl+HCOOH"	80.974872
"1321036"	381.066429	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Cl+NaCOOH"	102.956829
"915374"	391.095186	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M-H+CF3COOH"	112.985586
"1288757"	427.071864	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Cl+CF3COOH"	148.962264
"1367689"	243.096924	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H-2H2O"	-35.012676
"1389564"	261.1069	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H-H2O"	-17.0027
"291437"	557.226476	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+H"	1.007276
"681673"	835.336076	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+H"	1.007276
"1359116"	279.116876	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H"	1.007276
"132005"	279.116876	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+2H"	2.014552
"574847"	418.171676	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+2H"	2.014552
"1045833"	140.062076	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2H"	2.014552
"218844"	186.413676	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+3H"	3.021828
"657673"	279.116876	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+3H"	3.021828
"1175798"	93.710476	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+3H"	3.021828
"438222"	574.253023	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+NH4"	18.033823
"799706"	852.362623	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+NH4"	18.033823
"1696279"	296.143423	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+NH4"	18.033823
"345496"	287.6301495	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+H+NH4"	19.041099
"737828"	426.6849495	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+H+NH4"	19.041099
"1492568"	148.5753495	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H+NH4"	19.041099
"407412"	579.208418	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+Na"	22.989218
"766222"	857.318018	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+Na"	22.989218
"1612133"	301.098818	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Na"	22.989218
"328734"	290.107847	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+H+Na"	23.996494
"715687"	429.162647	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+H+Na"	23.996494
"1470603"	151.053047	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H+Na"	23.996494
"1063849"	101.03779	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2H+Na"	25.00377
"1263340"	311.143086	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+CH3OH+H"	33.033486
"388476"	595.182358	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+K"	38.963158
"750563"	873.291958	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+K"	38.963158
"1546055"	317.072758	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+K"	38.963158
"303230"	298.094817	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+H+K"	39.970434
"694558"	437.149617	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+H+K"	39.970434
"1449472"	159.040017	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H+K"	39.970434
"244635"	598.253026	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+ACN+H"	42.033826
"1217344"	320.143426	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+ACN+H"	42.033826
"1200134"	160.575351	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+ACN+2H"	43.041102
"194099"	601.19036	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+2Na-H"	44.97116
"629404"	879.29996	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+2Na-H"	44.97116
"1131589"	323.08076	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2Na-H"	44.97116
"174015"	301.098818	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+2Na"	45.978436
"613934"	440.153618	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+2Na"	45.978436
"1115907"	162.044018	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2Na"	45.978436
"1400364"	108.365104	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H+2Na"	46.985712
"1430410"	325.122346	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H+HCOOH"	47.012746
"221082"	306.13184	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+3H2O+2H"	56.04448
"1514743"	339.17439	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+IsoProp+H"	61.06479
"419897"	309.085788	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+Na+K"	61.952376
"780892"	448.140588	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+Na+K"	61.952376
"1672850"	170.030988	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Na+K"	61.952376
"263743"	620.234968	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+ACN+Na"	64.015768
"1237543"	342.125368	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+ACN+Na"	64.015768
"1722055"	342.148893	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+NH4+HCOOH"	64.039293
"1191787"	115.692418	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+3Na"	68.967654
"1663506"	347.104288	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Na+HCOOH"	68.994688
"171099"	633.13824	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+2K-H"	76.91904
"609928"	911.24784	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+2K-H"	76.91904
"1097964"	355.02864	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2K-H"	76.91904
"154901"	317.072758	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"2M+2K"	77.926316
"596286"	456.127558	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"3M+2K"	77.926316
"1073505"	178.017958	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2K"	77.926316
"1106716"	357.043192	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2K+H"	78.933592
"1339824"	357.130807	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+DMSO+H"	79.021207
"1006894"	361.169976	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2ACN+H"	83.060376
"1526598"	362.163608	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+IsoProp+Na+H"	84.054008
"991834"	181.088626	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+2ACN+2H"	84.067652
"1595090"	363.078228	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+K+HCOOH"	84.968628
"1418564"	393.109738	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+H+CF3COOH"	115.000138
"1155414"	201.601901	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+3ACN+2H"	125.094202
"1703871"	410.136285	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+NH4+CF3COOH"	132.026685
"1644990"	415.09168	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+Na+CF3COOH"	136.98208
"1582826"	431.06562	"C19339"	"Benzobchrysene;12:67-Dibenzophenanthrene"	"C22H14"	"278.1096"	"M+K+CF3COOH"	152.95602
"806631"	278.1096	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M"	0
"976884"	259.09121	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-H2O-H"	-19.01839
"74969"	184.399124	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M-3H"	-3.021828
"510154"	277.102324	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M-3H"	-3.021828
"894968"	91.695924	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-3H"	-3.021828
"15283"	277.102324	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M-2H"	-2.014552
"454480"	416.157124	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M-2H"	-2.014552
"831552"	138.047524	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-2H"	-2.014552
"86076"	555.211924	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M-H"	-1.007276
"520538"	833.321524	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M-H"	-1.007276
"897974"	277.102324	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-H"	-1.007276
"53442"	572.238471	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M-2H+NH4"	16.019271
"490815"	850.348071	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M-2H+NH4"	16.019271
"868615"	294.128871	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-2H+NH4"	16.019271
"32751"	577.193866	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M-2H+Na"	20.974666
"471472"	855.303466	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M-2H+Na"	20.974666
"851696"	299.084266	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-2H+Na"	20.974666
"1628899"	299.084266	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Na-2H"	20.974666
"103240"	295.090663	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M-H+Cl"	33.962126
"546081"	434.145463	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M-H+Cl"	33.962126
"939594"	156.035863	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-H+Cl"	33.962126
"279246"	591.188602	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+Cl"	34.969402
"673854"	869.298202	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+Cl"	34.969402
"1285162"	313.079002	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Cl"	34.969402
"22250"	593.167806	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M-2H+K"	36.948606
"458532"	871.277406	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M-2H+K"	36.948606
"842895"	315.058206	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-2H+K"	36.948606
"1563103"	315.058206	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+K-2H"	36.948606
"954268"	323.107794	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-H+HCOOH"	44.998194
"374670"	601.217401	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+HCOOH-H"	44.998201
"359647"	615.233051	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+Hac-H"	59.013851
"1506661"	337.123451	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Hac-H"	59.013851
"963995"	345.089751	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-H+NaCOOH"	66.980151
"112903"	313.079002	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+2Cl"	69.938804
"550640"	452.133802	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+2Cl"	69.938804
"1021867"	174.024202	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2Cl"	69.938804
"1241520"	357.028485	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Br"	78.918885
"1306203"	359.084472	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Cl+HCOOH"	80.974872
"1322241"	381.066429	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Cl+NaCOOH"	102.956829
"919494"	391.095186	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M-H+CF3COOH"	112.985586
"1288667"	427.071864	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Cl+CF3COOH"	148.962264
"1367313"	243.096924	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H-2H2O"	-35.012676
"1388581"	261.1069	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H-H2O"	-17.0027
"285351"	557.226476	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+H"	1.007276
"681783"	835.336076	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+H"	1.007276
"1352664"	279.116876	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H"	1.007276
"132115"	279.116876	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+2H"	2.014552
"573864"	418.171676	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+2H"	2.014552
"1043756"	140.062076	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2H"	2.014552
"219440"	186.413676	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+3H"	3.021828
"657783"	279.116876	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+3H"	3.021828
"1175908"	93.710476	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+3H"	3.021828
"438089"	574.253023	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+NH4"	18.033823
"799817"	852.362623	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+NH4"	18.033823
"1695782"	296.143423	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+NH4"	18.033823
"345443"	287.6301495	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+H+NH4"	19.041099
"738347"	426.6849495	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+H+NH4"	19.041099
"1492492"	148.5753495	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H+NH4"	19.041099
"407156"	579.208418	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+Na"	22.989218
"766332"	857.318018	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+Na"	22.989218
"1612243"	301.098818	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Na"	22.989218
"323375"	290.107847	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+H+Na"	23.996494
"714704"	429.162647	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+H+Na"	23.996494
"1473993"	151.053047	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H+Na"	23.996494
"1065052"	101.03779	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2H+Na"	25.00377
"1263450"	311.143086	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+CH3OH+H"	33.033486
"388586"	595.182358	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+K"	38.963158
"748487"	873.291958	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+K"	38.963158
"1548352"	317.072758	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+K"	38.963158
"305527"	298.094817	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+H+K"	39.970434
"694668"	437.149617	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+H+K"	39.970434
"1449581"	159.040017	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H+K"	39.970434
"243651"	598.253026	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+ACN+H"	42.033826
"1216361"	320.143426	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+ACN+H"	42.033826
"1200243"	160.575351	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+ACN+2H"	43.041102
"192021"	601.19036	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+2Na-H"	44.97116
"630731"	879.29996	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+2Na-H"	44.97116
"1131686"	323.08076	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2Na-H"	44.97116
"177282"	301.098818	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+2Na"	45.978436
"613197"	440.153618	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+2Na"	45.978436
"1116461"	162.044018	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2Na"	45.978436
"1398767"	108.365104	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H+2Na"	46.985712
"1430060"	325.122346	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H+HCOOH"	47.012746
"220462"	306.13184	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+3H2O+2H"	56.04448
"1512666"	339.17439	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+IsoProp+H"	61.06479
"422193"	309.085788	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+Na+K"	61.952376
"781002"	448.140588	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+Na+K"	61.952376
"1671867"	170.030988	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Na+K"	61.952376
"261666"	620.234968	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+ACN+Na"	64.015768
"1235467"	342.125368	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+ACN+Na"	64.015768
"1721072"	342.148893	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+NH4+HCOOH"	64.039293
"1191897"	115.692418	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+3Na"	68.967654
"1663615"	347.104288	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Na+HCOOH"	68.994688
"168653"	633.13824	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+2K-H"	76.91904
"610402"	911.24784	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+2K-H"	76.91904
"1094914"	355.02864	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2K-H"	76.91904
"150636"	317.072758	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"2M+2K"	77.926316
"591291"	456.127558	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"3M+2K"	77.926316
"1072522"	178.017958	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2K"	77.926316
"1105733"	357.043192	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2K+H"	78.933592
"1339934"	357.130807	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+DMSO+H"	79.021207
"1007125"	361.169976	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2ACN+H"	83.060376
"1526587"	362.163608	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+IsoProp+Na+H"	84.054008
"991944"	181.088626	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+2ACN+2H"	84.067652
"1598480"	363.078228	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+K+HCOOH"	84.968628
"1418674"	393.109738	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+H+CF3COOH"	115.000138
"1156617"	201.601901	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+3ACN+2H"	125.094202
"1703981"	410.136285	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+NH4+CF3COOH"	132.026685
"1645100"	415.09168	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+Na+CF3COOH"	136.98208
"1582936"	431.06562	"C19340"	"Benzogchrysene"	"C22H14"	"278.1096"	"M+K+CF3COOH"	152.95602
"803461"	252.0939	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M"	0
"976994"	233.07551	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"76173"	167.055324	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"512451"	251.086624	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"894631"	83.024024	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"14300"	251.086624	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"453861"	377.133574	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"829475"	125.039674	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"88373"	503.180524	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"519550"	755.274424	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"904644"	251.086624	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"56832"	520.207071	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"494205"	772.300971	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"872005"	268.113171	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"31887"	525.162466	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"471534"	777.256366	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"852900"	273.068566	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1630102"	273.068566	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"103350"	269.074963	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"546191"	395.121913	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"939704"	143.028013	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"280694"	539.157202	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"671777"	791.251102	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1285272"	287.063302	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"20173"	541.136406	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"463016"	793.230306	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"844098"	289.042506	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1565399"	289.042506	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"957658"	297.092094	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"374780"	549.186001	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"360935"	563.201651	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1507138"	311.107751	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"966293"	319.074051	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"116293"	287.063302	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"554760"	413.110252	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1023194"	161.016352	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1243135"	331.012785	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1307772"	333.068772	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1325267"	355.050729	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"919604"	365.079486	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1292303"	401.056164	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1370100"	217.081224	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1390879"	235.0912	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"285097"	505.195076	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"681893"	757.288976	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1353867"	253.101176	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H"	1.007276
"132225"	253.101176	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"573974"	379.148126	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1043866"	127.054226	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"219189"	169.069876	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"656800"	253.101176	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1177357"	85.038576	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"439825"	522.221623	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"800780"	774.315523	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1695527"	270.127723	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"344539"	261.6144495	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"737930"	387.6613995	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1492480"	135.5674995	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"408365"	527.177018	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"764256"	779.270918	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1611260"	275.083118	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"324579"	264.092147	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"715908"	390.139097	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1473011"	138.045197	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1064069"	92.36589	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1260280"	285.127386	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"388697"	543.150958	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"749691"	795.244858	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1547369"	291.057058	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+K"	38.963158
"304544"	272.079117	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"698058"	398.126067	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1452973"	146.032167	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"246678"	546.221626	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1213188"	294.127726	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1198165"	147.567501	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"190186"	549.15896	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"628854"	801.25286	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1133012"	297.06506	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"173010"	275.083118	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"613427"	401.130068	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1115663"	149.036168	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1398497"	99.693204	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1429939"	299.106646	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"220328"	280.11614	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1516057"	313.15869	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"420116"	283.070088	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"785246"	409.117038	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1675257"	157.023138	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"263963"	568.203568	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1233391"	316.109668	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1721183"	316.133193	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1192736"	107.020518	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1659713"	321.088588	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"170950"	581.10684	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"605042"	833.20074	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1097215"	329.01294	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"154999"	291.057058	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"595048"	417.104008	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1079194"	165.010108	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1106938"	331.027492	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1337856"	331.115107	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1007477"	335.154276	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1524996"	336.147908	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"992055"	168.080776	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1596402"	337.062528	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1420970"	367.094038	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1158913"	188.594051	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1707371"	384.120585	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1648490"	389.07598	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1583046"	405.04992	"C19341"	"Benzoafluoranthene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"803571"	226.0783	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M"	0
"980384"	207.05991	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-H2O-H"	-19.01839
"74096"	149.711590666667	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M-3H"	-3.021828
"515842"	225.071024	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M-3H"	-3.021828
"892191"	74.3521573333333	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-3H"	-3.021828
"12953"	225.071024	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M-2H"	-2.014552
"453489"	338.110174	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M-2H"	-2.014552
"827403"	112.031874	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-2H"	-2.014552
"87390"	451.149324	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M-H"	-1.007276
"521487"	677.227624	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M-H"	-1.007276
"901474"	225.071024	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-H"	-1.007276
"53661"	468.175871	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M-2H+NH4"	16.019271
"494315"	694.254171	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M-2H+NH4"	16.019271
"873938"	242.097571	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-2H+NH4"	16.019271
"31558"	473.131266	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M-2H+Na"	20.974666
"471525"	699.209566	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M-2H+Na"	20.974666
"853010"	247.052966	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-2H+Na"	20.974666
"1625829"	247.052966	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Na-2H"	20.974666
"102360"	243.059363	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M-H+Cl"	33.962126
"545207"	356.098513	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M-H+Cl"	33.962126
"937627"	130.020213	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-H+Cl"	33.962126
"281653"	487.126002	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+Cl"	34.969402
"672980"	713.204302	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+Cl"	34.969402
"1281009"	261.047702	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Cl"	34.969402
"22470"	489.105206	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M-2H+K"	36.948606
"460939"	715.183506	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M-2H+K"	36.948606
"840928"	263.026906	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-2H+K"	36.948606
"1563322"	263.026906	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+K-2H"	36.948606
"954488"	271.076494	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-H+HCOOH"	44.998194
"367235"	497.154801	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+HCOOH-H"	44.998201
"358774"	511.170451	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+Hac-H"	59.013851
"1504328"	285.092151	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Hac-H"	59.013851
"963122"	293.058451	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-H+NaCOOH"	66.980151
"113487"	261.047702	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+2Cl"	69.938804
"552684"	374.086852	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+2Cl"	69.938804
"1022209"	148.008552	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2Cl"	69.938804
"1243975"	304.997185	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Br"	78.918885
"1307882"	307.053172	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Cl+HCOOH"	80.974872
"1324283"	329.035129	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Cl+NaCOOH"	102.956829
"916434"	339.063886	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M-H+CF3COOH"	112.985586
"1292048"	375.040564	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Cl+CF3COOH"	148.962264
"1368023"	191.065624	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H-2H2O"	-35.012676
"1383003"	209.0756	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H-H2O"	-17.0027
"282996"	453.163876	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+H"	1.007276
"678723"	679.242176	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+H"	1.007276
"1352072"	227.085576	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H"	1.007276
"130146"	227.085576	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+2H"	2.014552
"576271"	340.124726	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+2H"	2.014552
"1051510"	114.046426	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2H"	2.014552
"218210"	151.726142666667	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+3H"	3.021828
"654723"	227.085576	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+3H"	3.021828
"1177225"	76.3667093333333	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+3H"	3.021828
"439044"	470.190423	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+NH4"	18.033823
"800283"	696.268723	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+NH4"	18.033823
"1693815"	244.112123	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+NH4"	18.033823
"344648"	235.5988495	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+H+NH4"	19.041099
"737806"	348.6379995	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+H+NH4"	19.041099
"1491867"	122.5596995	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H+NH4"	19.041099
"408156"	475.145818	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+Na"	22.989218
"764002"	701.224118	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+Na"	22.989218
"1612463"	249.067518	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Na"	22.989218
"323596"	238.076547	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+H+Na"	23.996494
"716018"	351.115697	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+H+Na"	23.996494
"1475186"	125.037397	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H+Na"	23.996494
"1066734"	83.6940233333333	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2H+Na"	25.00377
"1270230"	259.111786	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+CH3OH+H"	33.033486
"387714"	491.119758	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+K"	38.963158
"748708"	717.198058	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+K"	38.963158
"1545292"	265.041458	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+K"	38.963158
"304655"	246.063517	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+H+K"	39.970434
"699262"	359.102667	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+H+K"	39.970434
"1455270"	133.024367	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H+K"	39.970434
"247882"	494.190426	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+ACN+H"	42.033826
"1213301"	268.112126	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+ACN+H"	42.033826
"1203743"	134.559701	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+ACN+2H"	43.041102
"193333"	497.12776	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+2Na-H"	44.97116
"632892"	723.20606	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+2Na-H"	44.97116
"1133488"	271.04946	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2Na-H"	44.97116
"178594"	249.067518	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+2Na"	45.978436
"613051"	362.106668	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+2Na"	45.978436
"1117409"	136.028368	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2Na"	45.978436
"1398623"	91.0213373333333	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H+2Na"	46.985712
"1430862"	273.091046	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H+HCOOH"	47.012746
"221656"	254.10054	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+3H2O+2H"	56.04448
"1513980"	287.14309	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+IsoProp+H"	61.06479
"415853"	257.054488	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+Na+K"	61.952376
"783410"	370.093638	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+Na+K"	61.952376
"1675368"	144.015338	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Na+K"	61.952376
"262979"	516.172368	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+ACN+Na"	64.015768
"1233499"	290.094068	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+ACN+Na"	64.015768
"1722386"	290.117593	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+NH4+HCOOH"	64.039293
"1192727"	98.3486513333333	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+3Na"	68.967654
"1659823"	295.072988	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Na+HCOOH"	68.994688
"169967"	529.07564	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+2K-H"	76.91904
"605152"	755.15394	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+2K-H"	76.91904
"1090396"	302.99734	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2K-H"	76.91904
"150856"	265.041458	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"2M+2K"	77.926316
"591511"	378.080608	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"3M+2K"	77.926316
"1072744"	152.002308	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2K"	77.926316
"1104860"	305.011892	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2K+H"	78.933592
"1337966"	305.099507	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+DMSO+H"	79.021207
"1006128"	309.138676	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2ACN+H"	83.060376
"1524737"	310.132308	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+IsoProp+Na+H"	84.054008
"990218"	155.072976	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+2ACN+2H"	84.067652
"1598699"	311.046928	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+K+HCOOH"	84.968628
"1418893"	341.078438	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+H+CF3COOH"	115.000138
"1151368"	175.586251	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+3ACN+2H"	125.094202
"1707481"	358.104985	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+NH4+CF3COOH"	132.026685
"1648599"	363.06038	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+Na+CF3COOH"	136.98208
"1583156"	379.03432	"C19342"	"Benzoghifluoranthene;213-Benzofluoranthene"	"C18H10"	"226.0783"	"M+K+CF3COOH"	152.95602
"803681"	216.0939	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M"	0
"979401"	197.07551	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-H2O-H"	-19.01839
"77488"	143.055324	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M-3H"	-3.021828
"516319"	215.086624	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M-3H"	-3.021828
"893759"	71.024024	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-3H"	-3.021828
"15550"	215.086624	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M-2H"	-2.014552
"454082"	323.133574	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M-2H"	-2.014552
"830427"	107.039674	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-2H"	-2.014552
"91874"	431.180524	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M-H"	-1.007276
"523784"	647.274424	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M-H"	-1.007276
"904865"	215.086624	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-H"	-1.007276
"58146"	448.207071	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M-2H+NH4"	16.019271
"496613"	664.300971	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M-2H+NH4"	16.019271
"874413"	232.113171	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-2H+NH4"	16.019271
"34661"	453.162466	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M-2H+Na"	20.974666
"471989"	669.256366	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M-2H+Na"	20.974666
"849151"	237.068566	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-2H+Na"	20.974666
"1629219"	237.068566	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Na-2H"	20.974666
"105750"	233.074963	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M-H+Cl"	33.962126
"546403"	341.121913	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M-H+Cl"	33.962126
"941386"	125.028013	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-H+Cl"	33.962126
"280796"	467.157202	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+Cl"	34.969402
"673335"	683.251102	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+Cl"	34.969402
"1287195"	251.063302	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Cl"	34.969402
"23673"	469.136406	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M-2H+K"	36.948606
"466520"	685.230306	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M-2H+K"	36.948606
"843224"	253.042506	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-2H+K"	36.948606
"1564526"	253.042506	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+K-2H"	36.948606
"957923"	261.092094	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-H+HCOOH"	44.998194
"371720"	477.186001	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+HCOOH-H"	44.998201
"358884"	491.201651	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+Hac-H"	59.013851
"1507719"	275.107751	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Hac-H"	59.013851
"972709"	283.074051	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-H+NaCOOH"	66.980151
"119795"	251.063302	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+2Cl"	69.938804
"558262"	359.110252	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+2Cl"	69.938804
"1025968"	143.016352	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2Cl"	69.938804
"1251013"	295.012785	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Br"	78.918885
"1309088"	297.068772	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Cl+HCOOH"	80.974872
"1322573"	319.050729	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Cl+NaCOOH"	102.956829
"919827"	329.079486	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M-H+CF3COOH"	112.985586
"1292162"	365.056164	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Cl+CF3COOH"	148.962264
"1372510"	181.081224	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H-2H2O"	-35.012676
"1391099"	199.0912	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H-H2O"	-17.0027
"286411"	433.195076	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+H"	1.007276
"682113"	649.288976	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+H"	1.007276
"1352993"	217.101176	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H"	1.007276
"131349"	217.101176	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+2H"	2.014552
"576381"	325.148126	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+2H"	2.014552
"1051377"	109.054226	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2H"	2.014552
"219049"	145.069876	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+3H"	3.021828
"657993"	217.101176	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+3H"	3.021828
"1178186"	73.038576	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+3H"	3.021828
"439277"	450.221623	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+NH4"	18.033823
"800879"	666.315523	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+NH4"	18.033823
"1696359"	234.127723	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+NH4"	18.033823
"344999"	225.6144495	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+H+NH4"	19.041099
"737906"	333.6613995	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+H+NH4"	19.041099
"1491360"	117.5674995	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H+NH4"	19.041099
"407857"	455.177018	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+Na"	22.989218
"763384"	671.270918	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+Na"	22.989218
"1607108"	239.083118	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Na"	22.989218
"321520"	228.092147	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+H+Na"	23.996494
"712848"	336.139097	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+H+Na"	23.996494
"1476025"	120.045197	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H+Na"	23.996494
"1067326"	80.36589	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2H+Na"	25.00377
"1270340"	249.127386	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+CH3OH+H"	33.033486
"390010"	471.150958	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+K"	38.963158
"751004"	687.244858	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+K"	38.963158
"1550869"	255.057058	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+K"	38.963158
"309139"	236.079117	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+H+K"	39.970434
"700465"	344.126067	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+H+K"	39.970434
"1460121"	128.032167	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H+K"	39.970434
"247263"	474.221626	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+ACN+H"	42.033826
"1217785"	258.127726	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+ACN+H"	42.033826
"1201667"	129.567501	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+ACN+2H"	43.041102
"193443"	477.15896	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+2Na-H"	44.97116
"633003"	693.25286	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+2Na-H"	44.97116
"1131610"	261.06506	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2Na-H"	44.97116
"176518"	239.083118	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+2Na"	45.978436
"616080"	347.130068	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+2Na"	45.978436
"1117397"	131.036168	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2Na"	45.978436
"1398653"	87.693204	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H+2Na"	46.985712
"1431095"	263.106646	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H+HCOOH"	47.012746
"220428"	244.11614	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+3H2O+2H"	56.04448
"1514091"	277.15869	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+IsoProp+H"	61.06479
"414871"	247.070088	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+Na+K"	61.952376
"778052"	355.117038	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+Na+K"	61.952376
"1675477"	139.023138	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Na+K"	61.952376
"258716"	496.203568	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+ACN+Na"	64.015768
"1230330"	280.109668	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+ACN+Na"	64.015768
"1718123"	280.133193	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+NH4+HCOOH"	64.039293
"1188946"	95.020518	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+3Na"	68.967654
"1662121"	285.088588	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Na+HCOOH"	68.994688
"168983"	509.10684	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+2K-H"	76.91904
"605262"	725.20074	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+2K-H"	76.91904
"1091236"	293.01294	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2K-H"	76.91904
"149874"	255.057058	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"2M+2K"	77.926316
"588341"	363.104008	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"3M+2K"	77.926316
"1073948"	147.010108	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2K"	77.926316
"1103877"	295.027492	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2K+H"	78.933592
"1338076"	295.115107	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+DMSO+H"	79.021207
"1006967"	299.154276	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2ACN+H"	83.060376
"1524731"	300.147908	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+IsoProp+Na+H"	84.054008
"991546"	150.080776	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+2ACN+2H"	84.067652
"1595529"	301.062528	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+K+HCOOH"	84.968628
"1416085"	331.094038	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+H+CF3COOH"	115.000138
"1151478"	170.594051	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+3ACN+2H"	125.094202
"1707591"	348.120585	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+NH4+CF3COOH"	132.026685
"1645428"	353.07598	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+Na+CF3COOH"	136.98208
"1583266"	369.04992	"C19343"	"Benzoafluorene;11H-Benzoafluorene"	"C17H12"	"216.0939"	"M+K+CF3COOH"	152.95602
"812539"	216.0939	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M"	0
"977324"	197.07551	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-H2O-H"	-19.01839
"68849"	143.055324	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M-3H"	-3.021828
"513874"	215.086624	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M-3H"	-3.021828
"889492"	71.024024	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-3H"	-3.021828
"6976"	215.086624	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M-2H"	-2.014552
"445442"	323.133574	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M-2H"	-2.014552
"822151"	107.039674	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-2H"	-2.014552
"79953"	431.180524	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M-H"	-1.007276
"522071"	647.274424	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M-H"	-1.007276
"898536"	215.086624	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-H"	-1.007276
"49631"	448.207071	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M-2H+NH4"	16.019271
"488095"	664.300971	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M-2H+NH4"	16.019271
"869057"	232.113171	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-2H+NH4"	16.019271
"32703"	453.162466	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M-2H+Na"	20.974666
"472132"	669.256366	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M-2H+Na"	20.974666
"849705"	237.068566	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-2H+Na"	20.974666
"1626049"	237.068566	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Na-2H"	20.974666
"105860"	233.074963	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M-H+Cl"	33.962126
"546513"	341.121913	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M-H+Cl"	33.962126
"940401"	125.028013	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-H+Cl"	33.962126
"280297"	467.157202	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+Cl"	34.969402
"673812"	683.251102	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+Cl"	34.969402
"1287063"	251.063302	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Cl"	34.969402
"23783"	469.136406	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M-2H+K"	36.948606
"464440"	685.230306	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M-2H+K"	36.948606
"836773"	253.042506	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-2H+K"	36.948606
"1564636"	253.042506	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+K-2H"	36.948606
"955438"	261.092094	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-H+HCOOH"	44.998194
"370737"	477.186001	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+HCOOH-H"	44.998201
"358630"	491.201651	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+Hac-H"	59.013851
"1506369"	275.107751	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Hac-H"	59.013851
"971727"	283.074051	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-H+NaCOOH"	66.980151
"115531"	251.063302	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+2Cl"	69.938804
"559466"	359.110252	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+2Cl"	69.938804
"1023526"	143.016352	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2Cl"	69.938804
"1242738"	295.012785	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Br"	78.918885
"1307011"	297.068772	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Cl+HCOOH"	80.974872
"1325599"	319.050729	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Cl+NaCOOH"	102.956829
"917750"	329.079486	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M-H+CF3COOH"	112.985586
"1288517"	365.056164	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Cl+CF3COOH"	148.962264
"1368611"	181.081224	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H-2H2O"	-35.012676
"1387929"	199.0912	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H-H2O"	-17.0027
"285429"	433.195076	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+H"	1.007276
"684411"	649.288976	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+H"	1.007276
"1355292"	217.101176	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H"	1.007276
"133648"	217.101176	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+2H"	2.014552
"580951"	325.148126	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+2H"	2.014552
"1049664"	109.054226	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2H"	2.014552
"219882"	145.069876	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+3H"	3.021828
"659442"	217.101176	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+3H"	3.021828
"1178304"	73.038576	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+3H"	3.021828
"439505"	450.221623	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+NH4"	18.033823
"801068"	666.315523	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+NH4"	18.033823
"1696838"	234.127723	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+NH4"	18.033823
"345636"	225.6144495	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+H+NH4"	19.041099
"738483"	333.6613995	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+H+NH4"	19.041099
"1489284"	117.5674995	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H+NH4"	19.041099
"404685"	455.177018	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+Na"	22.989218
"761307"	671.270918	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+Na"	22.989218
"1606125"	239.083118	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Na"	22.989218
"321630"	228.092147	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+H+Na"	23.996494
"712958"	336.139097	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+H+Na"	23.996494
"1476499"	120.045197	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H+Na"	23.996494
"1064398"	80.36589	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2H+Na"	25.00377
"1269357"	249.127386	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+CH3OH+H"	33.033486
"391579"	471.150958	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+K"	38.963158
"748927"	687.244858	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+K"	38.963158
"1552074"	255.057058	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+K"	38.963158
"308156"	236.079117	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+H+K"	39.970434
"700575"	344.126067	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+H+K"	39.970434
"1460232"	128.032167	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H+K"	39.970434
"247739"	474.221626	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+ACN+H"	42.033826
"1221175"	258.127726	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+ACN+H"	42.033826
"1202870"	129.567501	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+ACN+2H"	43.041102
"194646"	477.15896	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+2Na-H"	44.97116
"634206"	693.25286	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+2Na-H"	44.97116
"1132491"	261.06506	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2Na-H"	44.97116
"176628"	239.083118	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+2Na"	45.978436
"617284"	347.130068	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+2Na"	45.978436
"1116898"	131.036168	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2Na"	45.978436
"1399942"	87.693204	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H+2Na"	46.985712
"1431081"	263.106646	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H+HCOOH"	47.012746
"220651"	244.11614	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+3H2O+2H"	56.04448
"1517477"	277.15869	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+IsoProp+H"	61.06479
"413886"	247.070088	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+Na+K"	61.952376
"775975"	355.117038	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+Na+K"	61.952376
"1675587"	139.023138	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Na+K"	61.952376
"257732"	496.203568	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+ACN+Na"	64.015768
"1231533"	280.109668	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+ACN+Na"	64.015768
"1718233"	280.133193	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+NH4+HCOOH"	64.039293
"1190149"	95.020518	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+3Na"	68.967654
"1662231"	285.088588	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Na+HCOOH"	68.994688
"167997"	509.10684	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+2K-H"	76.91904
"605372"	725.20074	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+2K-H"	76.91904
"1093168"	293.01294	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2K-H"	76.91904
"151077"	255.057058	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"2M+2K"	77.926316
"591729"	363.104008	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"3M+2K"	77.926316
"1074058"	147.010108	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2K"	77.926316
"1105080"	295.027492	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2K+H"	78.933592
"1340373"	295.115107	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+DMSO+H"	79.021207
"1006715"	299.154276	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2ACN+H"	83.060376
"1525329"	300.147908	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+IsoProp+Na+H"	84.054008
"990189"	150.080776	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+2ACN+2H"	84.067652
"1597828"	301.062528	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+K+HCOOH"	84.968628
"1422392"	331.094038	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+H+CF3COOH"	115.000138
"1159244"	170.594051	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+3ACN+2H"	125.094202
"1706608"	348.120585	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+NH4+CF3COOH"	132.026685
"1648819"	353.07598	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+Na+CF3COOH"	136.98208
"1583376"	369.04992	"C19344"	"Benzocfluorene;7H-Benzocfluorene"	"C17H12"	"216.0939"	"M+K+CF3COOH"	152.95602
"803901"	138.0429	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M"	0
"977434"	119.02451	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-H2O-H"	-19.01839
"70051"	91.021324	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M-3H"	-3.021828
"510704"	137.035624	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M-3H"	-3.021828
"890696"	45.007024	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-3H"	-3.021828
"7086"	137.035624	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M-2H"	-2.014552
"446645"	206.057074	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M-2H"	-2.014552
"824448"	68.014174	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-2H"	-2.014552
"81156"	275.078524	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M-H"	-1.007276
"522182"	413.121424	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M-H"	-1.007276
"897672"	137.035624	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-H"	-1.007276
"49130"	292.105071	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M-2H+NH4"	16.019271
"490273"	430.147971	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M-2H+NH4"	16.019271
"867345"	154.062171	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-2H+NH4"	16.019271
"34882"	297.060466	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M-2H+Na"	20.974666
"471676"	435.103366	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M-2H+Na"	20.974666
"849452"	159.017566	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-2H+Na"	20.974666
"1627252"	159.017566	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Na-2H"	20.974666
"105970"	155.023963	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M-H+Cl"	33.962126
"546625"	224.045413	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M-H+Cl"	33.962126
"941237"	86.002513	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-H+Cl"	33.962126
"281991"	311.055202	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+Cl"	34.969402
"675021"	449.098102	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+Cl"	34.969402
"1287902"	173.012302	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Cl"	34.969402
"29361"	313.034406	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M-2H+K"	36.948606
"470748"	451.077306	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M-2H+K"	36.948606
"847456"	174.991506	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-2H+K"	36.948606
"1566934"	174.991506	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+K-2H"	36.948606
"955548"	183.041094	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-H+HCOOH"	44.998194
"372668"	321.084001	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+HCOOH-H"	44.998201
"358740"	335.099651	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+Hac-H"	59.013851
"1506479"	197.056751	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Hac-H"	59.013851
"972933"	205.023051	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-H+NaCOOH"	66.980151
"120015"	173.012302	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+2Cl"	69.938804
"560669"	242.033752	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+2Cl"	69.938804
"1026188"	103.990852	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2Cl"	69.938804
"1244307"	216.961785	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Br"	78.918885
"1307121"	219.017772	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Cl+HCOOH"	80.974872
"1331176"	240.999729	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Cl+NaCOOH"	102.956829
"917860"	251.028486	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M-H+CF3COOH"	112.985586
"1289465"	287.005164	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Cl+CF3COOH"	148.962264
"1368357"	103.030224	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H-2H2O"	-35.012676
"1391319"	121.0402	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H-H2O"	-17.0027
"285539"	277.093076	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+H"	1.007276
"684521"	415.135976	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+H"	1.007276
"1354309"	139.050176	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H"	1.007276
"134851"	139.050176	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+2H"	2.014552
"580981"	208.071626	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+2H"	2.014552
"1049774"	70.028726	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2H"	2.014552
"219628"	93.035876	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+3H"	3.021828
"657607"	139.050176	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+3H"	3.021828
"1177927"	47.021576	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+3H"	3.021828
"439250"	294.119623	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+NH4"	18.033823
"800856"	432.162523	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+NH4"	18.033823
"1695239"	156.076723	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+NH4"	18.033823
"344975"	147.5634495	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+H+NH4"	19.041099
"738208"	216.5848995	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+H+NH4"	19.041099
"1491581"	78.5419995	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H+NH4"	19.041099
"405160"	299.075018	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+Na"	22.989218
"759231"	437.117918	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+Na"	22.989218
"1608421"	161.032118	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Na"	22.989218
"321740"	150.041147	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+H+Na"	23.996494
"711975"	219.062597	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+H+Na"	23.996494
"1474909"	81.019697	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H+Na"	23.996494
"1061228"	54.34889	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2H+Na"	25.00377
"1268010"	171.076386	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+CH3OH+H"	33.033486
"390959"	315.048958	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+K"	38.963158
"750861"	453.091858	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+K"	38.963158
"1549997"	177.006058	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+K"	38.963158
"308266"	158.028117	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+H+K"	39.970434
"699592"	227.049567	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+H+K"	39.970434
"1457788"	89.006667	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H+K"	39.970434
"247850"	318.119626	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+ACN+H"	42.033826
"1218005"	180.076726	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+ACN+H"	42.033826
"1201886"	90.542001	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+ACN+2H"	43.041102
"196943"	321.05696	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+2Na-H"	44.97116
"634316"	459.09986	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+2Na-H"	44.97116
"1133087"	183.01406	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2Na-H"	44.97116
"178926"	161.032118	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+2Na"	45.978436
"616665"	230.053568	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+2Na"	45.978436
"1118347"	92.010668	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2Na"	45.978436
"1401144"	61.676204	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H+2Na"	46.985712
"1431072"	185.055646	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H+HCOOH"	47.012746
"221251"	166.06514	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+3H2O+2H"	56.04448
"1516494"	199.10769	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+IsoProp+H"	61.06479
"409864"	169.019088	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+Na+K"	61.952376
"776084"	238.040538	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+Na+K"	61.952376
"1668041"	99.997638	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Na+K"	61.952376
"253099"	340.101568	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+ACN+Na"	64.015768
"1229457"	202.058668	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+ACN+Na"	64.015768
"1716156"	202.082193	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+NH4+HCOOH"	64.039293
"1191353"	69.003518	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+3Na"	68.967654
"1655777"	207.037588	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Na+HCOOH"	68.994688
"168107"	353.00484	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+2K-H"	76.91904
"602202"	491.04774	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+2K-H"	76.91904
"1095101"	214.96194	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2K-H"	76.91904
"151187"	177.006058	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"2M+2K"	77.926316
"588559"	246.027508	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"3M+2K"	77.926316
"1075261"	107.984608	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2K"	77.926316
"1105190"	216.976492	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2K+H"	78.933592
"1338296"	217.064107	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+DMSO+H"	79.021207
"1006578"	221.103276	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2ACN+H"	83.060376
"1525681"	222.096908	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+IsoProp+Na+H"	84.054008
"990417"	111.055276	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+2ACN+2H"	84.067652
"1587725"	223.011528	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+K+HCOOH"	84.968628
"1422502"	253.043038	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+H+CF3COOH"	115.000138
"1158258"	131.568551	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+3ACN+2H"	125.094202
"1709998"	270.069585	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+NH4+CF3COOH"	132.026685
"1647836"	275.02498	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+Na+CF3COOH"	136.98208
"1583486"	290.99892	"C19345"	"para-Benzoquinone dioxime"	"C6H6N2O2"	"138.0429"	"M+K+CF3COOH"	152.95602
"805104"	242.0579	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M"	0
"978637"	223.03951	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-H2O-H"	-19.01839
"70161"	160.364657333333	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M-3H"	-3.021828
"510814"	241.050624	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M-3H"	-3.021828
"887525"	79.6786906666667	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-3H"	-3.021828
"7194"	241.050624	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M-2H"	-2.014552
"444569"	362.079574	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M-2H"	-2.014552
"822735"	120.021674	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-2H"	-2.014552
"80173"	483.108524	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M-H"	-1.007276
"521196"	725.166424	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M-H"	-1.007276
"900092"	241.050624	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-H"	-1.007276
"49362"	500.135071	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M-2H+NH4"	16.019271
"493663"	742.192971	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M-2H+NH4"	16.019271
"866361"	258.077171	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-2H+NH4"	16.019271
"34991"	505.090466	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M-2H+Na"	20.974666
"471578"	747.148366	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M-2H+Na"	20.974666
"850169"	263.032566	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-2H+Na"	20.974666
"1626633"	263.032566	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Na-2H"	20.974666
"108876"	259.038963	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M-H+Cl"	33.962126
"547829"	380.067913	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M-H+Cl"	33.962126
"942321"	138.010013	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-H+Cl"	33.962126
"282714"	519.085202	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+Cl"	34.969402
"675569"	761.143102	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+Cl"	34.969402
"1288094"	277.027302	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Cl"	34.969402
"30564"	521.064406	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M-2H+K"	36.948606
"470778"	763.122306	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M-2H+K"	36.948606
"847566"	279.006506	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-2H+K"	36.948606
"1567044"	279.006506	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+K-2H"	36.948606
"958294"	287.056094	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-H+HCOOH"	44.998194
"374235"	529.114001	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+HCOOH-H"	44.998201
"358850"	543.129651	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+Hac-H"	59.013851
"1507682"	301.071751	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Hac-H"	59.013851
"973774"	309.038051	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-H+NaCOOH"	66.980151
"122312"	277.027302	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+2Cl"	69.938804
"557499"	398.056252	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+2Cl"	69.938804
"1026298"	155.998352	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2Cl"	69.938804
"1245876"	320.976785	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Br"	78.918885
"1307595"	323.032772	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Cl+HCOOH"	80.974872
"1333475"	345.014729	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Cl+NaCOOH"	102.956829
"921250"	355.043486	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M-H+CF3COOH"	112.985586
"1288965"	391.020164	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Cl+CF3COOH"	148.962264
"1371747"	207.045224	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H-2H2O"	-35.012676
"1391429"	225.0552	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H-H2O"	-17.0027
"285649"	485.123076	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+H"	1.007276
"684631"	727.180976	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+H"	1.007276
"1355512"	243.065176	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H"	1.007276
"133868"	243.065176	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+2H"	2.014552
"580600"	364.094126	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+2H"	2.014552
"1049884"	122.036226	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2H"	2.014552
"219785"	162.379209333333	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+3H"	3.021828
"659178"	243.065176	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+3H"	3.021828
"1178153"	81.6932426666667	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+3H"	3.021828
"438996"	502.149623	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+NH4"	18.033823
"800721"	744.207523	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+NH4"	18.033823
"1692797"	260.091723	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+NH4"	18.033823
"344354"	251.5784495	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+H+NH4"	19.041099
"738157"	372.6073995	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+H+NH4"	19.041099
"1492502"	130.5494995	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H+NH4"	19.041099
"402717"	507.105018	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+Na"	22.989218
"760431"	749.162918	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+Na"	22.989218
"1608528"	265.047118	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Na"	22.989218
"319660"	254.056147	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+H+Na"	23.996494
"714270"	375.085097	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+H+Na"	23.996494
"1474290"	133.027197	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H+Na"	23.996494
"1061338"	89.0205566666667	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2H+Na"	25.00377
"1266296"	275.091386	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+CH3OH+H"	33.033486
"392162"	523.078958	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+K"	38.963158
"750241"	765.136858	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+K"	38.963158
"1550107"	281.021058	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+K"	38.963158
"309469"	262.043117	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+H+K"	39.970434
"699702"	383.072067	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+H+K"	39.970434
"1458262"	141.014167	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H+K"	39.970434
"249781"	526.149626	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+ACN+H"	42.033826
"1218114"	284.091726	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+ACN+H"	42.033826
"1201996"	142.549501	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+ACN+2H"	43.041102
"195960"	529.08696	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+2Na-H"	44.97116
"632968"	771.14486	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+2Na-H"	44.97116
"1131980"	287.02906	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2Na-H"	44.97116
"175392"	265.047118	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+2Na"	45.978436
"616774"	386.076068	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+2Na"	45.978436
"1117728"	144.018168	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2Na"	45.978436
"1400160"	96.3478706666667	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H+2Na"	46.985712
"1431181"	289.070646	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H+HCOOH"	47.012746
"220032"	270.08014	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+3H2O+2H"	56.04448
"1509670"	303.12269	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+IsoProp+H"	61.06479
"410823"	273.034088	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+Na+K"	61.952376
"776194"	394.063038	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+Na+K"	61.952376
"1671430"	152.005138	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Na+K"	61.952376
"253331"	548.131568	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+ACN+Na"	64.015768
"1231753"	306.073668	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+ACN+Na"	64.015768
"1717359"	306.097193	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+NH4+HCOOH"	64.039293
"1190369"	103.675184666667	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+3Na"	68.967654
"1655887"	311.052588	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Na+HCOOH"	68.994688
"167124"	561.03484	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+2K-H"	76.91904
"602312"	803.09274	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+2K-H"	76.91904
"1096667"	318.97694	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2K-H"	76.91904
"148016"	281.021058	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"2M+2K"	77.926316
"585389"	402.050008	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"3M+2K"	77.926316
"1074277"	159.992108	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2K"	77.926316
"1105300"	320.991492	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2K+H"	78.933592
"1339499"	321.079107	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+DMSO+H"	79.021207
"1005997"	325.118276	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2ACN+H"	83.060376
"1525548"	326.111908	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+IsoProp+Na+H"	84.054008
"990407"	163.062776	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+2ACN+2H"	84.067652
"1588444"	327.026528	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+K+HCOOH"	84.968628
"1422612"	357.058038	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+H+CF3COOH"	115.000138
"1157275"	183.576051	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+3ACN+2H"	125.094202
"1711201"	374.084585	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+NH4+CF3COOH"	132.026685
"1649039"	379.03998	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+Na+CF3COOH"	136.98208
"1583596"	395.01392	"C19346"	"Benzoyl peroxide"	"C14H10O4"	"242.0579"	"M+K+CF3COOH"	152.95602
"805214"	233.0752	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M"	0
"978747"	214.05681	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-H2O-H"	-19.01839
"66991"	154.376190666667	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M-3H"	-3.021828
"508737"	232.067924	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M-3H"	-3.021828
"885449"	76.6844573333333	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-3H"	-3.021828
"5118"	232.067924	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M-2H"	-2.014552
"444679"	348.605524	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M-2H"	-2.014552
"819201"	115.530324	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-2H"	-2.014552
"79311"	465.143124	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M-H"	-1.007276
"522037"	698.218324	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M-H"	-1.007276
"899837"	232.067924	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-H"	-1.007276
"48136"	482.169671	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M-2H+NH4"	16.019271
"491585"	715.244871	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M-2H+NH4"	16.019271
"868294"	249.094471	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-2H+NH4"	16.019271
"32915"	487.125066	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M-2H+Na"	20.974666
"471454"	720.200266	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M-2H+Na"	20.974666
"848813"	254.049866	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-2H+Na"	20.974666
"1618634"	254.049866	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Na-2H"	20.974666
"102910"	250.056263	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M-H+Cl"	33.962126
"543564"	366.593863	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M-H+Cl"	33.962126
"938177"	133.518663	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-H+Cl"	33.962126
"282786"	501.119802	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+Cl"	34.969402
"675552"	734.195002	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+Cl"	34.969402
"1288245"	268.044602	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Cl"	34.969402
"27394"	503.099006	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M-2H+K"	36.948606
"470484"	736.174206	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M-2H+K"	36.948606
"847797"	270.023806	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-2H+K"	36.948606
"1568247"	270.023806	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+K-2H"	36.948606
"955404"	278.073394	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-H+HCOOH"	44.998194
"373252"	511.148601	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+HCOOH-H"	44.998201
"357867"	525.164251	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+Hac-H"	59.013851
"1506699"	292.089051	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Hac-H"	59.013851
"973763"	300.055351	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-H+NaCOOH"	66.980151
"123518"	268.044602	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+2Cl"	69.938804
"559796"	384.582202	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+2Cl"	69.938804
"1025315"	151.507002	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2Cl"	69.938804
"1245986"	311.994085	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Br"	78.918885
"1307341"	314.050072	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Cl+HCOOH"	80.974872
"1332492"	336.032029	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Cl+NaCOOH"	102.956829
"920267"	346.060786	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M-H+CF3COOH"	112.985586
"1289562"	382.037464	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Cl+CF3COOH"	148.962264
"1371857"	198.062524	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H-2H2O"	-35.012676
"1391539"	216.0725	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H-H2O"	-17.0027
"283693"	467.157676	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+H"	1.007276
"683648"	700.232876	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+H"	1.007276
"1354529"	234.082476	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H"	1.007276
"132885"	234.082476	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+2H"	2.014552
"579008"	350.620076	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+2H"	2.014552
"1051087"	117.544876	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2H"	2.014552
"219359"	156.390742666667	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+3H"	3.021828
"656368"	234.082476	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+3H"	3.021828
"1176314"	78.6990093333333	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+3H"	3.021828
"437764"	484.184223	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+NH4"	18.033823
"797668"	717.259423	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+NH4"	18.033823
"1690718"	251.109023	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+NH4"	18.033823
"343370"	242.5957495	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+H+NH4"	19.041099
"736886"	359.1333495	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+H+NH4"	19.041099
"1488519"	126.0581495	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H+NH4"	19.041099
"402825"	489.139618	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+Na"	22.989218
"758355"	722.214818	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+Na"	22.989218
"1603536"	256.064418	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Na"	22.989218
"315761"	245.073447	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+H+Na"	23.996494
"711100"	361.611047	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+H+Na"	23.996494
"1474764"	128.535847	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H+Na"	23.996494
"1061448"	86.0263233333333	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2H+Na"	25.00377
"1263126"	266.108686	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+CH3OH+H"	33.033486
"387169"	505.113558	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+K"	38.963158
"748164"	738.188758	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+K"	38.963158
"1550217"	272.038358	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+K"	38.963158
"307392"	253.060417	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+H+K"	39.970434
"696532"	369.598017	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+H+K"	39.970434
"1454726"	136.522817	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H+K"	39.970434
"246608"	508.184226	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+ACN+H"	42.033826
"1211782"	275.109026	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+ACN+H"	42.033826
"1199919"	138.058151	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+ACN+2H"	43.041102
"188732"	511.12156	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+2Na-H"	44.97116
"629191"	744.19676	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+2Na-H"	44.97116
"1131459"	278.04636	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2Na-H"	44.97116
"173555"	256.064418	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+2Na"	45.978436
"613183"	372.602018	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+2Na"	45.978436
"1115803"	139.526818	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2Na"	45.978436
"1399171"	93.3536373333333	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H+2Na"	46.985712
"1429947"	280.087946	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H+HCOOH"	47.012746
"220166"	261.09744	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+3H2O+2H"	56.04448
"1508688"	294.13999	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+IsoProp+H"	61.06479
"410205"	264.051388	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+Na+K"	61.952376
"777397"	380.588988	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+Na+K"	61.952376
"1672633"	147.513788	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Na+K"	61.952376
"251618"	530.166168	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+ACN+Na"	64.015768
"1229676"	297.090968	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+ACN+Na"	64.015768
"1717469"	297.114493	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+NH4+HCOOH"	64.039293
"1190479"	100.680951333333	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+3Na"	68.967654
"1655997"	302.069888	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Na+HCOOH"	68.994688
"167234"	543.06944	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+2K-H"	76.91904
"602422"	776.14464	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+2K-H"	76.91904
"1094590"	309.99424	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2K-H"	76.91904
"144845"	272.038358	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"2M+2K"	77.926316
"582581"	388.575958	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"3M+2K"	77.926316
"1072199"	155.500758	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2K"	77.926316
"1104317"	312.008792	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2K+H"	78.933592
"1338516"	312.096407	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+DMSO+H"	79.021207
"1005639"	316.135576	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2ACN+H"	83.060376
"1525416"	317.129208	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+IsoProp+Na+H"	84.054008
"989930"	158.571426	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+2ACN+2H"	84.067652
"1588675"	318.043828	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+K+HCOOH"	84.968628
"1422722"	348.075338	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+H+CF3COOH"	115.000138
"1159571"	179.084701	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+3ACN+2H"	125.094202
"1710218"	365.101885	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+NH4+CF3COOH"	132.026685
"1649149"	370.05728	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+Na+CF3COOH"	136.98208
"1583706"	386.03122	"C19347"	"Bis(1-aziridinyl)morpholinophosphine sulfide"	"C8H16N3OPS"	"233.0752"	"M+K+CF3COOH"	152.95602
"805324"	157.9901	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M"	0
"978857"	138.97171	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-H2O-H"	-19.01839
"68194"	104.319457333333	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M-3H"	-3.021828
"512127"	156.982824	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M-3H"	-3.021828
"887745"	51.6560906666667	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-3H"	-3.021828
"8507"	156.982824	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M-2H"	-2.014552
"444789"	235.977874	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M-2H"	-2.014552
"819675"	77.987774	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-2H"	-2.014552
"82581"	314.972924	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M-H"	-1.007276
"524332"	472.963024	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M-H"	-1.007276
"899217"	156.982824	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-H"	-1.007276
"51041"	331.999471	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M-2H+NH4"	16.019271
"490601"	489.989571	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M-2H+NH4"	16.019271
"871684"	174.009371	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-2H+NH4"	16.019271
"38493"	336.954866	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M-2H+Na"	20.974666
"471843"	494.944966	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M-2H+Na"	20.974666
"848808"	178.964766	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-2H+Na"	20.974666
"1620286"	178.964766	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Na-2H"	20.974666
"96460"	174.971163	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M-H+Cl"	33.962126
"543674"	253.966213	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M-H+Cl"	33.962126
"938286"	95.976113	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-H+Cl"	33.962126
"277937"	350.949602	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+Cl"	34.969402
"674249"	508.939702	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+Cl"	34.969402
"1287135"	192.959502	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Cl"	34.969402
"28597"	352.928806	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M-2H+K"	36.948606
"470349"	510.918906	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M-2H+K"	36.948606
"843775"	194.938706	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-2H+K"	36.948606
"1569450"	194.938706	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+K-2H"	36.948606
"953690"	202.988294	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-H+HCOOH"	44.998194
"372268"	360.978401	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+HCOOH-H"	44.998201
"359069"	374.994051	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+Hac-H"	59.013851
"1505351"	217.003951	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Hac-H"	59.013851
"972533"	224.970251	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-H+NaCOOH"	66.980151
"122168"	192.959502	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+2Cl"	69.938804
"559905"	271.954552	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+2Cl"	69.938804
"1025424"	113.964452	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2Cl"	69.938804
"1243909"	236.908985	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Br"	78.918885
"1306358"	238.964972	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Cl+HCOOH"	80.974872
"1329321"	260.946929	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Cl+NaCOOH"	102.956829
"918190"	270.975686	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M-H+CF3COOH"	112.985586
"1292711"	306.952364	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Cl+CF3COOH"	148.962264
"1368197"	122.977424	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H-2H2O"	-35.012676
"1383993"	140.9874	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H-H2O"	-17.0027
"283682"	316.987476	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+H"	1.007276
"681571"	474.977576	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+H"	1.007276
"1353544"	158.997376	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H"	1.007276
"134088"	158.997376	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+2H"	2.014552
"574743"	237.992426	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+2H"	2.014552
"1046822"	80.002326	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2H"	2.014552
"219107"	106.334009333333	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+3H"	3.021828
"654291"	158.997376	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+3H"	3.021828
"1176789"	53.6706426666667	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+3H"	3.021828
"435687"	334.014023	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+NH4"	18.033823
"796683"	492.004123	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+NH4"	18.033823
"1689735"	176.023923	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+NH4"	18.033823
"343844"	167.5106495	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+H+NH4"	19.041099
"735899"	246.5056995	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+H+NH4"	19.041099
"1487533"	88.5155995	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H+NH4"	19.041099
"402934"	338.969418	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+Na"	22.989218
"758465"	496.959518	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+Na"	22.989218
"1603523"	180.979318	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Na"	22.989218
"316964"	169.988347	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+H+Na"	23.996494
"711209"	248.983397	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+H+Na"	23.996494
"1473780"	90.993297	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H+Na"	23.996494
"1059371"	60.9979566666667	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2H+Na"	25.00377
"1260319"	191.023586	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+CH3OH+H"	33.033486
"386185"	354.943358	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+K"	38.963158
"743898"	512.933458	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+K"	38.963158
"1542671"	196.953258	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+K"	38.963158
"304221"	177.975317	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+H+K"	39.970434
"697008"	256.970367	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+H+K"	39.970434
"1449369"	98.980267	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H+K"	39.970434
"246718"	358.014026	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+ACN+H"	42.033826
"1210189"	200.023926	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+ACN+H"	42.033826
"1196383"	100.515601	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+ACN+2H"	43.041102
"189614"	360.95136	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+2Na-H"	44.97116
"629175"	518.94146	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+2Na-H"	44.97116
"1131955"	202.96126	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2Na-H"	44.97116
"173414"	180.979318	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+2Na"	45.978436
"613298"	259.974368	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+2Na"	45.978436
"1116114"	101.984268	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2Na"	45.978436
"1398749"	68.3252706666667	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H+2Na"	46.985712
"1430666"	205.002846	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H+HCOOH"	47.012746
"220155"	186.01234	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+3H2O+2H"	56.04448
"1509162"	219.05489	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+IsoProp+H"	61.06479
"410315"	188.966288	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+Na+K"	61.952376
"779693"	267.961338	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+Na+K"	61.952376
"1674929"	109.971238	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Na+K"	61.952376
"257073"	379.995968	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+ACN+Na"	64.015768
"1230879"	222.005868	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+ACN+Na"	64.015768
"1716483"	222.029393	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+NH4+HCOOH"	64.039293
"1182931"	75.6525846666667	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+3Na"	68.967654
"1657200"	226.984788	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Na+HCOOH"	68.994688
"165157"	392.89924	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+2K-H"	76.91904
"599613"	550.88934	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+2K-H"	76.91904
"1087409"	234.90914	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2K-H"	76.91904
"143858"	196.953258	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"2M+2K"	77.926316
"583054"	275.948308	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"3M+2K"	77.926316
"1071216"	117.958208	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2K"	77.926316
"1101268"	236.923692	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2K+H"	78.933592
"1335741"	237.011307	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+DMSO+H"	79.021207
"1005969"	241.050476	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2ACN+H"	83.060376
"1525148"	242.044108	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+IsoProp+Na+H"	84.054008
"990220"	121.028876	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+2ACN+2H"	84.067652
"1587571"	242.958728	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+K+HCOOH"	84.968628
"1422832"	272.990238	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+H+CF3COOH"	115.000138
"1157494"	141.542151	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+3ACN+2H"	125.094202
"1704861"	290.016785	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+NH4+CF3COOH"	132.026685
"1645979"	294.97218	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+Na+CF3COOH"	136.98208
"1583816"	310.94612	"C19348"	"12-Bis(chloromethoxy)ethane"	"C4H8Cl2O2"	"157.9901"	"M+K+CF3COOH"	152.95602
"804341"	234.0214	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M"	0
"978967"	215.00301	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-H2O-H"	-19.01839
"68304"	155.006990666667	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M-3H"	-3.021828
"515520"	233.014124	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M-3H"	-3.021828
"886762"	76.9998573333333	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-3H"	-3.021828
"7525"	233.014124	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M-2H"	-2.014552
"448179"	350.024824	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M-2H"	-2.014552
"829263"	116.003424	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-2H"	-2.014552
"83785"	467.035524	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M-H"	-1.007276
"524443"	701.056924	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M-H"	-1.007276
"903336"	233.014124	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-H"	-1.007276
"57712"	484.062071	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M-2H+NH4"	16.019271
"499825"	718.083471	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M-2H+NH4"	16.019271
"870701"	250.040671	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-2H+NH4"	16.019271
"39698"	489.017466	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M-2H+Na"	20.974666
"472200"	723.038866	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M-2H+Na"	20.974666
"849890"	254.996066	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-2H+Na"	20.974666
"1620398"	254.996066	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Na-2H"	20.974666
"96570"	251.002463	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M-H+Cl"	33.962126
"537224"	368.013163	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M-H+Cl"	33.962126
"936939"	133.991763	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-H+Cl"	33.962126
"279140"	503.012202	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+Cl"	34.969402
"674116"	737.033602	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+Cl"	34.969402
"1285059"	268.990802	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Cl"	34.969402
"27614"	504.991406	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M-2H+K"	36.948606
"464990"	739.012806	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M-2H+K"	36.948606
"843885"	270.970006	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-2H+K"	36.948606
"1568467"	270.970006	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+K-2H"	36.948606
"955622"	279.019594	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-H+HCOOH"	44.998194
"372014"	513.041001	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+HCOOH-H"	44.998201
"358815"	527.056651	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+Hac-H"	59.013851
"1504733"	293.035251	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Hac-H"	59.013851
"972644"	301.001551	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-H+NaCOOH"	66.980151
"121914"	268.990802	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+2Cl"	69.938804
"560015"	386.001502	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+2Cl"	69.938804
"1025534"	151.980102	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2Cl"	69.938804
"1244019"	312.940285	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Br"	78.918885
"1309747"	314.996272	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Cl+HCOOH"	80.974872
"1330523"	336.978229	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Cl+NaCOOH"	102.956829
"915020"	347.006986	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M-H+CF3COOH"	112.985586
"1295008"	382.983664	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Cl+CF3COOH"	148.962264
"1369521"	199.008724	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H-2H2O"	-35.012676
"1385199"	217.0187	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H-H2O"	-17.0027
"284156"	469.050076	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+H"	1.007276
"682774"	703.071476	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+H"	1.007276
"1356934"	235.028676	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H"	1.007276
"132010"	235.028676	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+2H"	2.014552
"574853"	352.039376	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+2H"	2.014552
"1049118"	118.017976	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2H"	2.014552
"218123"	157.021542666667	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+3H"	3.021828
"656591"	235.028676	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+3H"	3.021828
"1175807"	79.0144093333333	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+3H"	3.021828
"437256"	486.076623	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+NH4"	18.033823
"796793"	720.098023	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+NH4"	18.033823
"1690939"	252.055223	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+NH4"	18.033823
"344320"	243.5419495	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+H+NH4"	19.041099
"736739"	360.5526495	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+H+NH4"	19.041099
"1490923"	126.5312495	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H+NH4"	19.041099
"404138"	491.032018	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+Na"	22.989218
"758575"	725.053418	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+Na"	22.989218
"1605579"	257.010618	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Na"	22.989218
"319990"	246.019647	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+H+Na"	23.996494
"712412"	363.030347	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+H+Na"	23.996494
"1473890"	129.008947	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H+Na"	23.996494
"1058387"	86.3417233333333	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2H+Na"	25.00377
"1261158"	267.054886	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+CH3OH+H"	33.033486
"385202"	507.005958	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+K"	38.963158
"745100"	741.027358	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+K"	38.963158
"1547154"	272.984558	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+K"	38.963158
"307612"	254.006617	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+H+K"	39.970434
"700035"	371.017317	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+H+K"	39.970434
"1452760"	136.995917	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H+K"	39.970434
"243548"	510.076626	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+ACN+H"	42.033826
"1212611"	276.055226	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+ACN+H"	42.033826
"1198680"	138.531251	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+ACN+2H"	43.041102
"193739"	513.01396	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+2Na-H"	44.97116
"634757"	747.03536	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+2Na-H"	44.97116
"1131699"	278.99256	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2Na-H"	44.97116
"174991"	257.010618	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+2Na"	45.978436
"617833"	374.021318	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+2Na"	45.978436
"1117449"	139.999918	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2Na"	45.978436
"1399272"	93.6690373333333	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H+2Na"	46.985712
"1430778"	281.034146	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H+HCOOH"	47.012746
"220962"	262.04364	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+3H2O+2H"	56.04448
"1509636"	295.08619	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+IsoProp+H"	61.06479
"411153"	264.997588	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+Na+K"	61.952376
"779803"	382.008288	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+Na+K"	61.952376
"1670666"	147.986888	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Na+K"	61.952376
"256088"	532.058568	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+ACN+Na"	64.015768
"1229894"	298.037168	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+ACN+Na"	64.015768
"1715499"	298.060693	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+NH4+HCOOH"	64.039293
"1184135"	100.996351333333	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+3Na"	68.967654
"1657310"	303.016088	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Na+HCOOH"	68.994688
"168549"	544.96184	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+2K-H"	76.91904
"602642"	778.98324	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+2K-H"	76.91904
"1087883"	310.94044	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2K-H"	76.91904
"144332"	272.984558	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"2M+2K"	77.926316
"587906"	389.995258	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"3M+2K"	77.926316
"1071319"	155.973858	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2K"	77.926316
"1103437"	312.954992	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2K+H"	78.933592
"1335935"	313.042607	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+DMSO+H"	79.021207
"1006647"	317.081776	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2ACN+H"	83.060376
"1524652"	318.075408	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+IsoProp+Na+H"	84.054008
"990172"	159.044526	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+2ACN+2H"	84.067652
"1588896"	318.990028	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+K+HCOOH"	84.968628
"1422942"	349.021538	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+H+CF3COOH"	115.000138
"1154323"	179.557801	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+3ACN+2H"	125.094202
"1701690"	366.048085	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+NH4+CF3COOH"	132.026685
"1646089"	371.00348	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+Na+CF3COOH"	136.98208
"1583926"	386.97742	"C19349"	"14-Bis(chloromethoxymethyl)benzene"	"C10H12Cl2O2"	"234.0214"	"M+K+CF3COOH"	152.95602
"804815"	170.0265	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M"	0
"981264"	151.00811	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-H2O-H"	-19.01839
"67685"	112.343724	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M-3H"	-3.021828
"515630"	169.019224	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M-3H"	-3.021828
"886872"	55.668224	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-3H"	-3.021828
"6541"	169.019224	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M-2H"	-2.014552
"450477"	254.032474	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M-2H"	-2.014552
"828282"	84.005974	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-2H"	-2.014552
"91553"	339.045724	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M-H"	-1.007276
"525647"	509.072224	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M-H"	-1.007276
"903447"	169.019224	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-H"	-1.007276
"56731"	356.072271	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M-2H+NH4"	16.019271
"496292"	526.098771	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M-2H+NH4"	16.019271
"867531"	186.045771	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-2H+NH4"	16.019271
"41994"	361.027666	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M-2H+Na"	20.974666
"472314"	531.054166	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M-2H+Na"	20.974666
"851336"	191.001166	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-2H+Na"	20.974666
"1620871"	191.001166	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Na-2H"	20.974666
"97044"	187.007563	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M-H+Cl"	33.962126
"538791"	272.020813	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M-H+Cl"	33.962126
"939235"	101.994313	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-H+Cl"	33.962126
"281073"	375.022402	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+Cl"	34.969402
"671673"	545.048902	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+Cl"	34.969402
"1286262"	204.995902	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Cl"	34.969402
"28817"	377.001606	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M-2H+K"	36.948606
"458537"	547.028106	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M-2H+K"	36.948606
"836339"	206.975106	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-2H+K"	36.948606
"1559827"	206.975106	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+K-2H"	36.948606
"948804"	215.024694	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-H+HCOOH"	44.998194
"368111"	385.051201	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+HCOOH-H"	44.998201
"359289"	399.066851	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+Hac-H"	59.013851
"1505205"	229.040351	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Hac-H"	59.013851
"970563"	237.006651	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-H+NaCOOH"	66.980151
"114004"	204.995902	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+2Cl"	69.938804
"559032"	290.009152	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+2Cl"	69.938804
"1023455"	119.982652	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2Cl"	69.938804
"1246315"	248.945385	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Br"	78.918885
"1308763"	251.001372	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Cl+HCOOH"	80.974872
"1325166"	272.983329	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Cl+NaCOOH"	102.956829
"915857"	283.012086	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M-H+CF3COOH"	112.985586
"1295118"	318.988764	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Cl+CF3COOH"	148.962264
"1368175"	135.013824	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H-2H2O"	-35.012676
"1386402"	153.0238	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H-H2O"	-17.0027
"284266"	341.060276	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+H"	1.007276
"682884"	511.086776	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+H"	1.007276
"1355951"	171.033776	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H"	1.007276
"132484"	171.033776	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+2H"	2.014552
"574963"	256.047026	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+2H"	2.014552
"1044853"	86.020526	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2H"	2.014552
"219954"	114.358276	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+3H"	3.021828
"655240"	171.033776	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+3H"	3.021828
"1171543"	57.682776	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+3H"	3.021828
"438460"	358.086823	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+NH4"	18.033823
"794716"	528.113323	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+NH4"	18.033823
"1692142"	188.060323	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+NH4"	18.033823
"344064"	179.5470495	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+H+NH4"	19.041099
"736120"	264.5602995	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+H+NH4"	19.041099
"1488847"	94.5337995	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H+NH4"	19.041099
"403882"	363.042218	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+Na"	22.989218
"759776"	533.068718	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+Na"	22.989218
"1604592"	193.015718	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Na"	22.989218
"319004"	182.024747	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+H+Na"	23.996494
"712520"	267.037997	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+H+Na"	23.996494
"1468527"	97.011497	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H+Na"	23.996494
"1059589"	65.01009	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2H+Na"	25.00377
"1262361"	203.059986	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+CH3OH+H"	33.033486
"385312"	379.016158	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+K"	38.963158
"745210"	549.042658	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+K"	38.963158
"1548357"	208.989658	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+K"	38.963158
"307722"	190.011717	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+H+K"	39.970434
"700145"	275.024967	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+H+K"	39.970434
"1452870"	104.998467	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H+K"	39.970434
"243658"	382.086826	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+ACN+H"	42.033826
"1215638"	212.060326	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+ACN+H"	42.033826
"1198790"	106.533801	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+ACN+2H"	43.041102
"197495"	385.02416	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+2Na-H"	44.97116
"633774"	555.05066	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+2Na-H"	44.97116
"1132051"	214.99766	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2Na-H"	44.97116
"175467"	193.015718	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+2Na"	45.978436
"618308"	278.028968	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+2Na"	45.978436
"1116951"	108.002468	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2Na"	45.978436
"1401329"	72.337404	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H+2Na"	46.985712
"1430158"	217.039246	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H+HCOOH"	47.012746
"220830"	198.04874	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+3H2O+2H"	56.04448
"1509381"	231.09129	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+IsoProp+H"	61.06479
"410165"	201.002688	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+Na+K"	61.952376
"773715"	286.015938	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+Na+K"	61.952376
"1670047"	115.989438	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Na+K"	61.952376
"254377"	404.068768	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+ACN+Na"	64.015768
"1232191"	234.042268	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+ACN+Na"	64.015768
"1719620"	234.065793	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+NH4+HCOOH"	64.039293
"1189715"	79.664718	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+3Na"	68.967654
"1656327"	239.021188	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Na+HCOOH"	68.994688
"168660"	416.97204	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+2K-H"	76.91904
"602021"	586.99854	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+2K-H"	76.91904
"1088722"	246.94554	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2K-H"	76.91904
"144445"	208.989658	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"2M+2K"	77.926316
"585829"	294.002908	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"3M+2K"	77.926316
"1069730"	123.976408	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2K"	77.926316
"1102820"	248.960092	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2K+H"	78.933592
"1336410"	249.047707	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+DMSO+H"	79.021207
"1006394"	253.086876	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2ACN+H"	83.060376
"1525736"	254.080508	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+IsoProp+Na+H"	84.054008
"989996"	127.047076	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+2ACN+2H"	84.067652
"1589006"	254.995128	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+K+HCOOH"	84.968628
"1418678"	285.026638	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+H+CF3COOH"	115.000138
"1154433"	147.560351	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+3ACN+2H"	125.094202
"1701800"	302.053185	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+NH4+CF3COOH"	132.026685
"1646199"	307.00858	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+Na+CF3COOH"	136.98208
"1584036"	322.98252	"C19350"	"Bis(2-chloro-1-methylethyl)ether;DCIP"	"C6H12Cl2O"	"170.0265"	"M+K+CF3COOH"	152.95602
"804561"	182.0943	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M"	0
"984654"	163.07591	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"73993"	120.388924	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"515743"	181.087024	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"892451"	59.690824	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"11026"	181.087024	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"450588"	272.134174	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"829487"	90.039874	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"93489"	363.181324	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"526851"	545.275624	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"906840"	181.087024	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"59026"	380.207871	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"494213"	562.302171	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"873110"	198.113571	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"41010"	385.163266	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"472182"	567.257566	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"850716"	203.068966	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1621710"	203.068966	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"98976"	199.075363	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"536714"	290.122513	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"940802"	108.028213	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"281425"	399.158002	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"672876"	581.252302	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1287223"	217.063702	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"28927"	401.137206	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"458647"	583.231506	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"837542"	219.042906	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1559937"	219.042906	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"947820"	227.092494	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"364940"	409.186801	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"348823"	423.202451	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1500938"	241.108151	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"963019"	249.074451	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"115207"	217.063702	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"554768"	308.110852	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1024659"	126.016552	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1246423"	261.013185	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1308873"	263.069172	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1326368"	285.051129	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"915604"	295.079886	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1295227"	331.056564	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1371201"	147.081624	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1388698"	165.0916	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"285103"	365.195876	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"676792"	547.290176	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1353873"	183.101576	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"128219"	183.101576	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"567048"	274.148726	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1041683"	92.054426	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"219953"	122.403476	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"657899"	183.101576	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1176027"	61.705376	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"433831"	382.222423	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"793731"	564.316723	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1687147"	200.128123	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"341620"	191.6148495	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"731855"	282.6619995	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1480210"	100.5676995	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"399983"	387.177818	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"758793"	569.272118	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1610171"	205.083518	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"319115"	194.092547	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"711537"	285.139697	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1468638"	103.045397	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1059697"	69.03269	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1262470"	215.127786	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"383235"	403.151758	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"744227"	585.246058	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1546281"	221.057458	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"305644"	202.079517	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"703534"	293.126667	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1459907"	111.032367	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"243768"	406.222426	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1210644"	224.128126	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1199629"	112.567701	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"199792"	409.15976	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"630969"	591.25406	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1132040"	227.06546	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"176307"	205.083518	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"618054"	296.130668	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1118279"	114.036368	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1399372"	76.360004	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1431732"	229.107046	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"221427"	210.11654	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1510584"	243.15909	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"409548"	213.070488	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"770544"	304.117638	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1669793"	122.023338	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"255218"	428.204368	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1236677"	246.110068	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1726658"	246.133593	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1186545"	83.687318	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1656437"	251.088988	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"158683"	441.10764	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"599945"	623.20194	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1089562"	259.01334	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"142853"	221.057458	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"585939"	312.104608	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1069112"	130.010308	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1103660"	261.027892	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1335686"	261.115507	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1006265"	265.154676	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1524225"	266.148308	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"990025"	133.080976	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1587117"	267.062928	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1417692"	297.094438	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1149075"	153.594251	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1701910"	314.120985	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1643028"	319.07638	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1584146"	335.05032	"C19351"	"Bis(23-epoxycyclopentyl)ether"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"804671"	792.1222	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M"	0
"984764"	773.10381	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-H2O-H"	-19.01839
"73010"	527.074190666667	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M-3H"	-3.021828
"516947"	791.114924	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M-3H"	-3.021828
"891468"	263.033457333333	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-3H"	-3.021828
"11140"	791.114924	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M-2H"	-2.014552
"448514"	1187.176024	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M-2H"	-2.014552
"824130"	395.053824	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-2H"	-2.014552
"90682"	1583.237124	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M-H"	-1.007276
"524771"	2375.359324	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M-H"	-1.007276
"904761"	791.114924	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-H"	-1.007276
"51481"	1600.263671	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M-2H+NH4"	16.019271
"491408"	2392.385871	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M-2H+NH4"	16.019271
"866295"	808.141471	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-2H+NH4"	16.019271
"35653"	1605.219066	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M-2H+Na"	20.974666
"472536"	2397.341266	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M-2H+Na"	20.974666
"856301"	813.096866	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-2H+Na"	20.974666
"1619267"	813.096866	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Na-2H"	20.974666
"103464"	809.103263	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M-H+Cl"	33.962126
"540836"	1205.164363	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M-H+Cl"	33.962126
"938729"	413.042163	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-H+Cl"	33.962126
"277286"	1619.213802	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+Cl"	34.969402
"667520"	2411.336002	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+Cl"	34.969402
"1282109"	827.091602	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Cl"	34.969402
"24665"	1621.193006	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M-2H+K"	36.948606
"462038"	2413.315206	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M-2H+K"	36.948606
"840935"	829.070806	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-2H+K"	36.948606
"1561142"	829.070806	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+K-2H"	36.948606
"949024"	837.120394	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-H+HCOOH"	44.998194
"373437"	1629.242601	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+HCOOH-H"	44.998201
"358781"	1643.258251	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+Hac-H"	59.013851
"1506885"	851.136051	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Hac-H"	59.013851
"967503"	859.102351	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-H+NaCOOH"	66.980151
"116413"	827.091602	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+2Cl"	69.938804
"551962"	1223.152702	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+2Cl"	69.938804
"1025865"	431.030502	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2Cl"	69.938804
"1244350"	871.041085	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Br"	78.918885
"1307890"	873.097072	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Cl+HCOOH"	80.974872
"1321376"	895.079029	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Cl+NaCOOH"	102.956829
"917537"	905.107786	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M-H+CF3COOH"	112.985586
"1289140"	941.084464	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Cl+CF3COOH"	148.962264
"1368395"	757.109524	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H-2H2O"	-35.012676
"1384435"	775.1195	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H-H2O"	-17.0027
"283269"	1585.251676	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+H"	1.007276
"675930"	2377.373876	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+H"	1.007276
"1355077"	793.129476	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H"	1.007276
"129059"	793.129476	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+2H"	2.014552
"575183"	1189.190576	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+2H"	2.014552
"1046169"	397.068376	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2H"	2.014552
"218455"	529.088742666667	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+3H"	3.021828
"653633"	793.129476	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+3H"	3.021828
"1173946"	265.048009333333	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+3H"	3.021828
"437098"	1602.278223	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+NH4"	18.033823
"793840"	2394.400423	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+NH4"	18.033823
"1690169"	810.156023	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+NH4"	18.033823
"337357"	801.6427495	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+H+NH4"	19.041099
"727590"	1197.7038495	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+H+NH4"	19.041099
"1481414"	405.5816495	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H+NH4"	19.041099
"394262"	1607.233618	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+Na"	22.989218
"755623"	2399.355818	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+Na"	22.989218
"1603839"	815.111418	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Na"	22.989218
"314852"	804.120447	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+H+Na"	23.996494
"711649"	1200.181547	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+H+Na"	23.996494
"1467657"	408.059347	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H+Na"	23.996494
"1057620"	272.375323333333	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2H+Na"	25.00377
"1261488"	825.155686	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+CH3OH+H"	33.033486
"384438"	1623.207558	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+K"	38.963158
"744338"	2415.329758	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+K"	38.963158
"1543112"	831.085358	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+K"	38.963158
"302475"	812.107417	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+H+K"	39.970434
"695991"	1208.168517	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+H+K"	39.970434
"1448718"	416.046317	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H+K"	39.970434
"243878"	1626.278226	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+ACN+H"	42.033826
"1212941"	834.156026	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+ACN+H"	42.033826
"1200105"	417.581651	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+ACN+2H"	43.041102
"192252"	1629.21556	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+2Na-H"	44.97116
"632902"	2421.33776	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+2Na-H"	44.97116
"1131473"	837.09336	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2Na-H"	44.97116
"176781"	815.111418	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+2Na"	45.978436
"618893"	1211.172518	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+2Na"	45.978436
"1116568"	419.050318	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2Na"	45.978436
"1401549"	279.702637333333	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H+2Na"	46.985712
"1430013"	839.134946	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H+HCOOH"	47.012746
"220928"	820.14444	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+3H2O+2H"	56.04448
"1510087"	853.18699	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+IsoProp+H"	61.06479
"410383"	823.098388	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+Na+K"	61.952376
"770893"	1219.159488	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+Na+K"	61.952376
"1666297"	427.037288	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Na+K"	61.952376
"255328"	1648.260168	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+ACN+Na"	64.015768
"1234236"	856.137968	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+ACN+Na"	64.015768
"1721300"	856.161493	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+NH4+HCOOH"	64.039293
"1187387"	287.029951333333	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+3Na"	68.967654
"1656551"	861.116888	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Na+HCOOH"	68.994688
"157165"	1661.16344	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+2K-H"	76.91904
"598230"	2453.28564	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+2K-H"	76.91904
"1085659"	869.04124	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2K-H"	76.91904
"142355"	831.085358	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"2M+2K"	77.926316
"584958"	1227.146458	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"3M+2K"	77.926316
"1068814"	435.024258	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2K"	77.926316
"1100243"	871.055792	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2K+H"	78.933592
"1335888"	871.143407	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+DMSO+H"	79.021207
"1006248"	875.182576	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2ACN+H"	83.060376
"1524350"	876.176208	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+IsoProp+Na+H"	84.054008
"990060"	438.094926	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+2ACN+2H"	84.067652
"1587265"	877.090828	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+K+HCOOH"	84.968628
"1414883"	907.122338	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+H+CF3COOH"	115.000138
"1152465"	458.608201	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+3ACN+2H"	125.094202
"1699465"	924.148885	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+NH4+CF3COOH"	132.026685
"1643136"	929.10428	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+Na+CF3COOH"	136.98208
"1584256"	945.07822	"C19352"	"Brilliant blue;Brilliant blue FCF disodium salt;Food blue No1"	"C37H34N2O9S32Na"	"792.1222"	"M+K+CF3COOH"	152.95602
"813530"	152.8981	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M"	0
"987062"	133.87971	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-H2O-H"	-19.01839
"76401"	100.924790666667	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M-3H"	-3.021828
"517910"	151.890824	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M-3H"	-3.021828
"891578"	49.9587573333333	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-3H"	-3.021828
"15015"	151.890824	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M-2H"	-2.014552
"450812"	228.339874	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M-2H"	-2.014552
"828614"	75.441774	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-2H"	-2.014552
"91885"	304.788924	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M-H"	-1.007276
"527071"	457.687024	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M-H"	-1.007276
"903780"	151.890824	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-H"	-1.007276
"55967"	321.815471	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M-2H+NH4"	16.019271
"494436"	474.713571	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M-2H+NH4"	16.019271
"874424"	168.917371	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-2H+NH4"	16.019271
"42326"	326.770866	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M-2H+Na"	20.974666
"472281"	479.668966	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M-2H+Na"	20.974666
"856411"	173.872766	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-2H+Na"	20.974666
"1621201"	173.872766	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Na-2H"	20.974666
"101387"	169.879163	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M-H+Cl"	33.962126
"538759"	246.328213	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M-H+Cl"	33.962126
"936653"	93.430113	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-H+Cl"	33.962126
"275209"	340.765602	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+Cl"	34.969402
"668723"	493.663702	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+Cl"	34.969402
"1281126"	187.867502	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Cl"	34.969402
"23681"	342.744806	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M-2H+K"	36.948606
"461055"	495.642906	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M-2H+K"	36.948606
"842138"	189.846706	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-2H+K"	36.948606
"1563438"	189.846706	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+K-2H"	36.948606
"948041"	197.896294	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-H+HCOOH"	44.998194
"374640"	350.794401	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+HCOOH-H"	44.998201
"360228"	364.810051	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+Hac-H"	59.013851
"1506995"	211.911951	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Hac-H"	59.013851
"965426"	219.878251	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-H+NaCOOH"	66.980151
"114335"	187.867502	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+2Cl"	69.938804
"551707"	264.316552	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+2Cl"	69.938804
"1025975"	111.418452	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2Cl"	69.938804
"1242273"	231.816985	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Br"	78.918885
"1308000"	233.872972	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Cl+HCOOH"	80.974872
"1322215"	255.854929	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Cl+NaCOOH"	102.956829
"917647"	265.883686	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M-H+CF3COOH"	112.985586
"1288886"	301.860364	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Cl+CF3COOH"	148.962264
"1369234"	117.885424	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H-2H2O"	-35.012676
"1386003"	135.8954	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H-H2O"	-17.0027
"284230"	306.803476	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+H"	1.007276
"676043"	459.701576	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+H"	1.007276
"1356280"	153.905376	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H"	1.007276
"134638"	153.905376	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+2H"	2.014552
"577479"	230.354426	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+2H"	2.014552
"1049561"	77.456326	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2H"	2.014552
"213094"	102.939342666667	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+3H"	3.021828
"659090"	153.905376	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+3H"	3.021828
"1171872"	51.9733093333333	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+3H"	3.021828
"434050"	323.830023	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+NH4"	18.033823
"795044"	476.728123	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+NH4"	18.033823
"1692466"	170.931923	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+NH4"	18.033823
"344515"	162.4186495	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+H+NH4"	19.041099
"729888"	238.8676995	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+H+NH4"	19.041099
"1480430"	85.9695995	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H+NH4"	19.041099
"398016"	328.785418	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+Na"	22.989218
"759013"	481.683518	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+Na"	22.989218
"1604925"	175.887318	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Na"	22.989218
"316418"	164.896347	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+H+Na"	23.996494
"709203"	241.345397	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+H+Na"	23.996494
"1463390"	88.447297	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H+Na"	23.996494
"1061012"	59.3006233333333	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2H+Na"	25.00377
"1259414"	185.931586	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+CH3OH+H"	33.033486
"382359"	344.759358	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+K"	38.963158
"742262"	497.657458	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+K"	38.963158
"1547597"	191.861258	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+K"	38.963158
"303681"	172.883317	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+H+K"	39.970434
"697196"	249.332367	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+H+K"	39.970434
"1448829"	96.434267	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H+K"	39.970434
"246177"	347.830026	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+ACN+H"	42.033826
"1216698"	194.931926	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+ACN+H"	42.033826
"1203863"	97.969601	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+ACN+2H"	43.041102
"188915"	350.76736	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+2Na-H"	44.97116
"629003"	503.66546	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+2Na-H"	44.97116
"1131443"	197.86926	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2Na-H"	44.97116
"176161"	175.887318	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+2Na"	45.978436
"614263"	252.336368	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+2Na"	45.978436
"1115707"	99.438268	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2Na"	45.978436
"1398532"	66.6279373333333	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H+2Na"	46.985712
"1430167"	199.910846	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H+HCOOH"	47.012746
"220270"	180.92034	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+3H2O+2H"	56.04448
"1508511"	213.96289	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+IsoProp+H"	61.06479
"408732"	183.874288	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+Na+K"	61.952376
"770271"	260.323338	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+Na+K"	61.952376
"1667459"	107.425238	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Na+K"	61.952376
"253250"	369.811968	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+ACN+Na"	64.015768
"1229970"	216.913868	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+ACN+Na"	64.015768
"1716670"	216.937393	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+NH4+HCOOH"	64.039293
"1187129"	73.9552513333333	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+3Na"	68.967654
"1658846"	221.892788	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Na+HCOOH"	68.994688
"158783"	382.71524	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+2K-H"	76.91904
"599070"	535.61334	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+2K-H"	76.91904
"1087594"	229.81714	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2K-H"	76.91904
"142466"	191.861258	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"2M+2K"	77.926316
"586161"	268.310308	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"3M+2K"	77.926316
"1068579"	115.412208	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2K"	77.926316
"1099982"	231.831692	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2K+H"	78.933592
"1335660"	231.919307	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+DMSO+H"	79.021207
"1005741"	235.958476	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2ACN+H"	83.060376
"1524217"	236.952108	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+IsoProp+Na+H"	84.054008
"990366"	118.482876	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+2ACN+2H"	84.067652
"1590065"	237.866728	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+K+HCOOH"	84.968628
"1417913"	267.898238	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+H+CF3COOH"	115.000138
"1161323"	138.996151	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+3ACN+2H"	125.094202
"1702128"	284.924785	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+NH4+CF3COOH"	132.026685
"1643246"	289.88018	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+Na+CF3COOH"	136.98208
"1584366"	305.85412	"C19353"	"Bromochloroacetonitrile"	"C2HBrClN"	"152.8981"	"M+K+CF3COOH"	152.95602
"810359"	107.9575	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M"	0
"983892"	88.93911	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-H2O-H"	-19.01839
"75416"	70.9643906666667	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M-3H"	-3.021828
"517166"	106.950224	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M-3H"	-3.021828
"891688"	34.9785573333333	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-3H"	-3.021828
"14396"	106.950224	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M-2H"	-2.014552
"448733"	160.928974	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M-2H"	-2.014552
"829816"	52.971474	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-2H"	-2.014552
"88714"	214.907724	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M-H"	-1.007276
"526088"	322.865224	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M-H"	-1.007276
"903889"	106.950224	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-H"	-1.007276
"57170"	231.934271	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M-2H+NH4"	16.019271
"496732"	339.891771	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M-2H+NH4"	16.019271
"875627"	123.976771	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-2H+NH4"	16.019271
"46201"	236.889666	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M-2H+Na"	20.974666
"473487"	344.847166	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M-2H+Na"	20.974666
"851050"	128.932166	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-2H+Na"	20.974666
"1621311"	128.932166	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Na-2H"	20.974666
"102590"	124.938563	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M-H+Cl"	33.962126
"543243"	178.917313	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M-H+Cl"	33.962126
"936763"	70.959813	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-H+Cl"	33.962126
"277506"	250.884402	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+Cl"	34.969402
"666647"	358.841902	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+Cl"	34.969402
"1276863"	142.926902	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Cl"	34.969402
"20511"	252.863606	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M-2H+K"	36.948606
"461165"	360.821106	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M-2H+K"	36.948606
"841155"	144.906106	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-2H+K"	36.948606
"1561362"	144.906106	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+K-2H"	36.948606
"949243"	152.955694	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-H+HCOOH"	44.998194
"374386"	260.913201	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+HCOOH-H"	44.998201
"359729"	274.928851	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+Hac-H"	59.013851
"1506012"	166.971351	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Hac-H"	59.013851
"972827"	174.937651	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-H+NaCOOH"	66.980151
"115538"	142.926902	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+2Cl"	69.938804
"557285"	196.905652	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+2Cl"	69.938804
"1027178"	88.948152	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2Cl"	69.938804
"1242747"	186.876385	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Br"	78.918885
"1308110"	188.932372	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Cl+HCOOH"	80.974872
"1324512"	210.914329	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Cl+NaCOOH"	102.956829
"918850"	220.943086	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M-H+CF3COOH"	112.985586
"1289726"	256.919764	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Cl+CF3COOH"	148.962264
"1370440"	72.944824	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H-2H2O"	-35.012676
"1386113"	90.9548	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H-H2O"	-17.0027
"282967"	216.922276	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+H"	1.007276
"676272"	324.879776	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+H"	1.007276
"1353108"	108.964776	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H"	1.007276
"128550"	108.964776	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+2H"	2.014552
"577589"	162.943526	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+2H"	2.014552
"1049671"	54.986026	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2H"	2.014552
"215391"	72.9789426666667	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+3H"	3.021828
"658229"	108.964776	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+3H"	3.021828
"1173076"	36.9931093333333	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+3H"	3.021828
"431976"	233.948823	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+NH4"	18.033823
"794061"	341.906323	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+NH4"	18.033823
"1695859"	125.991323	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+NH4"	18.033823
"340857"	117.4780495	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+H+NH4"	19.041099
"730000"	171.4567995	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+H+NH4"	19.041099
"1483821"	63.4992995	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H+NH4"	19.041099
"398126"	238.904218	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+Na"	22.989218
"758030"	346.861718	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+Na"	22.989218
"1605035"	130.946718	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Na"	22.989218
"317258"	119.955747	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+H+Na"	23.996494
"710771"	173.934497	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+H+Na"	23.996494
"1466781"	65.976997	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H+Na"	23.996494
"1062218"	44.3204233333333	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2H+Na"	25.00377
"1263169"	140.990986	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+CH3OH+H"	33.033486
"380283"	254.878158	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+K"	38.963158
"745653"	362.835658	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+K"	38.963158
"1546614"	146.920658	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+K"	38.963158
"301239"	127.942717	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+H+K"	39.970434
"693660"	181.921467	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+H+K"	39.970434
"1448573"	73.963967	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H+K"	39.970434
"239728"	257.948826	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+ACN+H"	42.033826
"1217901"	149.991326	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+ACN+H"	42.033826
"1198504"	75.499301	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+ACN+2H"	43.041102
"188985"	260.88616	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+2Na-H"	44.97116
"631665"	368.84366	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+2Na-H"	44.97116
"1131766"	152.92866	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2Na-H"	44.97116
"174570"	130.946718	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+2Na"	45.978436
"613886"	184.925468	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+2Na"	45.978436
"1116172"	76.967968	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2Na"	45.978436
"1399089"	51.6477373333333	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H+2Na"	46.985712
"1431700"	154.970246	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H+HCOOH"	47.012746
"220785"	135.97974	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+3H2O+2H"	56.04448
"1509208"	169.02229	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+IsoProp+H"	61.06479
"409750"	138.933688	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+Na+K"	61.952376
"770381"	192.912438	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+Na+K"	61.952376
"1673038"	84.954938	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Na+K"	61.952376
"255548"	279.930768	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+ACN+Na"	64.015768
"1230080"	171.973268	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+ACN+Na"	64.015768
"1716780"	171.996793	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+NH4+HCOOH"	64.039293
"1187968"	58.9750513333333	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+3Na"	68.967654
"1657863"	176.952188	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Na+HCOOH"	68.994688
"160715"	292.83404	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+2K-H"	76.91904
"600640"	400.79154	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+2K-H"	76.91904
"1088799"	184.87654	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2K-H"	76.91904
"141600"	146.920658	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"2M+2K"	77.926316
"582991"	200.899408	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"3M+2K"	77.926316
"1068487"	92.941908	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2K"	77.926316
"1100002"	186.891092	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2K+H"	78.933592
"1335674"	186.978707	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+DMSO+H"	79.021207
"1006095"	191.017876	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2ACN+H"	83.060376
"1524316"	192.011508	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+IsoProp+Na+H"	84.054008
"990198"	96.012576	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+2ACN+2H"	84.067652
"1588107"	192.926128	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+K+HCOOH"	84.968628
"1418023"	222.957638	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+H+CF3COOH"	115.000138
"1161433"	116.525851	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+3ACN+2H"	125.094202
"1702238"	239.984185	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+NH4+CF3COOH"	132.026685
"1643356"	244.93958	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+Na+CF3COOH"	136.98208
"1584476"	260.91352	"C19354"	"Bromoethane;Ethyl bromide"	"C2H5Br"	"107.9575"	"M+K+CF3COOH"	152.95602
"810469"	118.0994	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M"	0
"978534"	99.08101	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-H2O-H"	-19.01839
"75526"	77.7256573333333	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M-3H"	-3.021828
"512902"	117.092124	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M-3H"	-3.021828
"888518"	38.3591906666667	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-3H"	-3.021828
"14992"	117.092124	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M-2H"	-2.014552
"453215"	176.141824	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M-2H"	-2.014552
"830778"	58.042424	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-2H"	-2.014552
"91981"	235.191524	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M-H"	-1.007276
"529477"	353.290924	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M-H"	-1.007276
"906185"	117.092124	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-H"	-1.007276
"57280"	252.218071	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M-2H+NH4"	16.019271
"499028"	370.317471	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M-2H+NH4"	16.019271
"874643"	134.118671	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-2H+NH4"	16.019271
"46554"	257.173466	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M-2H+Na"	20.974666
"479919"	375.272866	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M-2H+Na"	20.974666
"854077"	139.074066	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-2H+Na"	20.974666
"1623974"	139.074066	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Na-2H"	20.974666
"101604"	135.080463	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M-H+Cl"	33.962126
"536789"	194.130163	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M-H+Cl"	33.962126
"935778"	76.030763	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-H+Cl"	33.962126
"273242"	271.168202	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+Cl"	34.969402
"671858"	389.267602	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+Cl"	34.969402
"1282439"	153.068802	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Cl"	34.969402
"19527"	273.147406	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M-2H+K"	36.948606
"462368"	391.246806	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M-2H+K"	36.948606
"841265"	155.048006	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-2H+K"	36.948606
"1568033"	155.048006	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+K-2H"	36.948606
"949355"	163.097594	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-H+HCOOH"	44.998194
"371944"	281.197001	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+HCOOH-H"	44.998201
"360080"	295.212651	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+Hac-H"	59.013851
"1505757"	177.113251	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Hac-H"	59.013851
"973671"	185.079551	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-H+NaCOOH"	66.980151
"115648"	153.068802	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+2Cl"	69.938804
"558488"	212.118502	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+2Cl"	69.938804
"1028381"	94.019102	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2Cl"	69.938804
"1244679"	197.018285	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Br"	78.918885
"1309313"	199.074272	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Cl+HCOOH"	80.974872
"1324622"	221.056229	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Cl+NaCOOH"	102.956829
"922240"	231.084986	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M-H+CF3COOH"	112.985586
"1292388"	267.061664	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Cl+CF3COOH"	148.962264
"1372736"	83.086724	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H-2H2O"	-35.012676
"1388046"	101.0967	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H-H2O"	-17.0027
"284815"	237.206076	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+H"	1.007276
"683433"	355.305476	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+H"	1.007276
"1358689"	119.106676	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H"	1.007276
"134858"	119.106676	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+2H"	2.014552
"576607"	178.156376	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+2H"	2.014552
"1049781"	60.056976	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2H"	2.014552
"218057"	79.7402093333333	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+3H"	3.021828
"656882"	119.106676	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+3H"	3.021828
"1175374"	40.3737426666667	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+3H"	3.021828
"435363"	254.232623	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+NH4"	18.033823
"798910"	372.332023	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+NH4"	18.033823
"1689407"	136.133223	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+NH4"	18.033823
"342790"	127.6199495	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+H+NH4"	19.041099
"733387"	186.6696495	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+H+NH4"	19.041099
"1478464"	68.5702495	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H+NH4"	19.041099
"394958"	259.188018	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+Na"	22.989218
"755953"	377.287418	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+Na"	22.989218
"1606238"	141.088618	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Na"	22.989218
"315057"	130.097647	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+H+Na"	23.996494
"711977"	189.147347	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+H+Na"	23.996494
"1469081"	71.047947	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H+Na"	23.996494
"1062328"	47.7010566666667	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2H+Na"	25.00377
"1261822"	151.132886	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+CH3OH+H"	33.033486
"386954"	275.161958	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+K"	38.963158
"739565"	393.261358	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+K"	38.963158
"1541984"	157.062558	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+K"	38.963158
"302077"	138.084617	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+H+K"	39.970434
"695229"	197.134317	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+H+K"	39.970434
"1448320"	79.034917	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H+K"	39.970434
"241296"	278.232626	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+ACN+H"	42.033826
"1215826"	160.133226	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+ACN+H"	42.033826
"1204086"	80.570251	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+ACN+2H"	43.041102
"188641"	281.16996	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+2Na-H"	44.97116
"629587"	399.26936	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+2Na-H"	44.97116
"1131998"	163.07056	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2Na-H"	44.97116
"173705"	141.088618	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+2Na"	45.978436
"614359"	200.138318	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+2Na"	45.978436
"1116770"	82.038918	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2Na"	45.978436
"1399565"	55.0283706666667	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H+2Na"	46.985712
"1430306"	165.112146	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H+HCOOH"	47.012746
"220646"	146.12164	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+3H2O+2H"	56.04448
"1509075"	179.16419	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+IsoProp+H"	61.06479
"409493"	149.075588	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+Na+K"	61.952376
"770365"	208.125288	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+Na+K"	61.952376
"1669138"	90.025888	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Na+K"	61.952376
"253471"	300.214568	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+ACN+Na"	64.015768
"1229097"	182.115168	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+ACN+Na"	64.015768
"1716890"	182.138693	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+NH4+HCOOH"	64.039293
"1185162"	62.3556846666667	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+3Na"	68.967654
"1659065"	187.094088	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Na+HCOOH"	68.994688
"162649"	313.11784	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+2K-H"	76.91904
"601117"	431.21724	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+2K-H"	76.91904
"1088909"	195.01844	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2K-H"	76.91904
"142927"	157.062558	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"2M+2K"	77.926316
"582371"	216.112258	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"3M+2K"	77.926316
"1069306"	98.012858	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2K"	77.926316
"1100449"	197.032992	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2K+H"	78.933592
"1336101"	197.120607	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+DMSO+H"	79.021207
"1006330"	201.159776	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2ACN+H"	83.060376
"1525557"	202.153408	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+IsoProp+Na+H"	84.054008
"989961"	101.083526	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+2ACN+2H"	84.067652
"1587112"	203.068028	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+K+HCOOH"	84.968628
"1415214"	233.099538	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+H+CF3COOH"	115.000138
"1154982"	121.596801	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+3ACN+2H"	125.094202
"1702348"	250.126085	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+NH4+CF3COOH"	132.026685
"1643466"	255.08148	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+Na+CF3COOH"	136.98208
"1584586"	271.05542	"C19355"	"2-Butoxyethanol"	"C6H14O2"	"118.0994"	"M+K+CF3COOH"	152.95602
"810579"	132.115	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M"	0
"978644"	113.09661	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-H2O-H"	-19.01839
"76729"	87.0693906666667	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M-3H"	-3.021828
"516292"	131.107724	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M-3H"	-3.021828
"888628"	43.0310573333333	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-3H"	-3.021828
"12671"	131.107724	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M-2H"	-2.014552
"447857"	197.165224	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M-2H"	-2.014552
"828942"	65.050224	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-2H"	-2.014552
"87841"	263.222724	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M-H"	-1.007276
"526307"	395.337724	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M-H"	-1.007276
"903015"	131.107724	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-H"	-1.007276
"55203"	280.249271	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M-2H+NH4"	16.019271
"496952"	412.364271	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M-2H+NH4"	16.019271
"873660"	148.134271	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-2H+NH4"	16.019271
"41560"	285.204666	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M-2H+Na"	20.974666
"477114"	417.319666	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M-2H+Na"	20.974666
"853458"	153.089666	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-2H+Na"	20.974666
"1621897"	153.089666	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Na-2H"	20.974666
"101714"	149.096063	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M-H+Cl"	33.962126
"537992"	215.153563	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M-H+Cl"	33.962126
"935888"	83.038563	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-H+Cl"	33.962126
"273352"	299.199402	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+Cl"	34.969402
"671968"	431.314402	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+Cl"	34.969402
"1282549"	167.084402	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Cl"	34.969402
"21823"	301.178606	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M-2H+K"	36.948606
"463571"	433.293606	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M-2H+K"	36.948606
"842468"	169.063606	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-2H+K"	36.948606
"1568143"	169.063606	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+K-2H"	36.948606
"951651"	177.113194	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-H+HCOOH"	44.998194
"373147"	309.228201	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+HCOOH-H"	44.998201
"359948"	323.243851	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+Hac-H"	59.013851
"1507690"	191.128851	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Hac-H"	59.013851
"973782"	199.095151	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-H+NaCOOH"	66.980151
"116851"	167.084402	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+2Cl"	69.938804
"558597"	233.141902	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+2Cl"	69.938804
"1027396"	101.026902	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2Cl"	69.938804
"1243695"	211.033885	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Br"	78.918885
"1306143"	213.089872	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Cl+HCOOH"	80.974872
"1332386"	235.071829	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Cl+NaCOOH"	102.956829
"919070"	245.100586	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M-H+CF3COOH"	112.985586
"1292498"	281.077264	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Cl+CF3COOH"	148.962264
"1370659"	97.102324	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H-2H2O"	-35.012676
"1386333"	115.1123	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H-H2O"	-17.0027
"283097"	265.237276	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+H"	1.007276
"676735"	397.352276	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+H"	1.007276
"1355880"	133.122276	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H"	1.007276
"129862"	133.122276	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+2H"	2.014552
"570154"	199.179776	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+2H"	2.014552
"1042234"	67.064776	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2H"	2.014552
"219255"	89.0839426666667	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+3H"	3.021828
"654076"	133.122276	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+3H"	3.021828
"1171109"	45.0456093333333	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+3H"	3.021828
"431100"	282.263823	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+NH4"	18.033823
"798655"	414.378823	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+NH4"	18.033823
"1691705"	150.148823	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+NH4"	18.033823
"339985"	141.6355495	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+H+NH4"	19.041099
"732405"	207.6930495	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+H+NH4"	19.041099
"1480761"	75.5780495	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H+NH4"	19.041099
"395068"	287.219218	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+Na"	22.989218
"756184"	419.334218	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+Na"	22.989218
"1606348"	155.104218	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Na"	22.989218
"318571"	144.113247	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+H+Na"	23.996494
"712087"	210.170747	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+H+Na"	23.996494
"1465908"	78.055747	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H+Na"	23.996494
"1055877"	52.3729233333333	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2H+Na"	25.00377
"1260108"	165.148486	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+CH3OH+H"	33.033486
"379777"	303.193158	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+K"	38.963158
"740035"	435.308158	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+K"	38.963158
"1541729"	171.078158	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+K"	38.963158
"302187"	152.100217	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+H+K"	39.970434
"696432"	218.157717	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+H+K"	39.970434
"1452438"	86.042717	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H+K"	39.970434
"239583"	306.263826	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+ACN+H"	42.033826
"1215936"	174.148826	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+ACN+H"	42.033826
"1196539"	87.578051	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+ACN+2H"	43.041102
"189158"	309.20116	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+2Na-H"	44.97116
"628572"	441.31616	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+2Na-H"	44.97116
"1133203"	177.08616	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2Na-H"	44.97116
"173574"	155.104218	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+2Na"	45.978436
"613499"	221.161718	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+2Na"	45.978436
"1116761"	89.046718	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2Na"	45.978436
"1399555"	59.7002373333333	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H+2Na"	46.985712
"1430580"	179.127746	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H+HCOOH"	47.012746
"221611"	160.13724	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+3H2O+2H"	56.04448
"1509432"	193.17979	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+IsoProp+H"	61.06479
"408996"	163.091188	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+Na+K"	61.952376
"770719"	229.148688	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+Na+K"	61.952376
"1666693"	97.033688	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Na+K"	61.952376
"256133"	328.245768	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+ACN+Na"	64.015768
"1229206"	196.130768	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+ACN+Na"	64.015768
"1714083"	196.154293	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+NH4+HCOOH"	64.039293
"1183084"	67.0275513333333	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+3Na"	68.967654
"1658080"	201.109688	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Na+HCOOH"	68.994688
"161666"	341.14904	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+2K-H"	76.91904
"602321"	473.26404	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+2K-H"	76.91904
"1092299"	209.03404	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2K-H"	76.91904
"143159"	171.078158	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"2M+2K"	77.926316
"584304"	237.135658	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"3M+2K"	77.926316
"1069052"	105.020658	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2K"	77.926316
"1100559"	211.048592	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2K+H"	78.933592
"1336209"	211.136207	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+DMSO+H"	79.021207
"1006561"	215.175376	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2ACN+H"	83.060376
"1525789"	216.169008	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+IsoProp+Na+H"	84.054008
"990244"	108.091326	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+2ACN+2H"	84.067652
"1587225"	217.083628	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+K+HCOOH"	84.968628
"1415323"	247.115138	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+H+CF3COOH"	115.000138
"1155092"	128.604601	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+3ACN+2H"	125.094202
"1705738"	264.141685	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+NH4+CF3COOH"	132.026685
"1643576"	269.09708	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+Na+CF3COOH"	136.98208
"1584696"	285.07102	"C19356"	"1-tert-Butoxy-2-propanol;1-(11-Dimethylethoxy)-2-propanol;Propylene glycol mono-t-buthyl ether"	"C7H16O2"	"132.115"	"M+K+CF3COOH"	152.95602
"807409"	258.0528	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M"	0
"975474"	239.03441	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-H2O-H"	-19.01839
"74655"	171.027924	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M-3H"	-3.021828
"514216"	257.045524	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M-3H"	-3.021828
"888738"	85.010324	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-3H"	-3.021828
"13510"	257.045524	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M-2H"	-2.014552
"451248"	386.071924	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M-2H"	-2.014552
"826867"	128.019124	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-2H"	-2.014552
"90140"	515.098324	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M-H"	-1.007276
"525325"	773.151124	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M-H"	-1.007276
"902032"	257.045524	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-H"	-1.007276
"55315"	532.124871	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M-2H+NH4"	16.019271
"494876"	790.177671	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M-2H+NH4"	16.019271
"873773"	274.072071	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-2H+NH4"	16.019271
"43857"	537.080266	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M-2H+Na"	20.974666
"476860"	795.133066	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M-2H+Na"	20.974666
"852475"	279.027466	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-2H+Na"	20.974666
"1620185"	279.027466	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Na-2H"	20.974666
"102917"	275.033863	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M-H+Cl"	33.962126
"539195"	404.060263	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M-H+Cl"	33.962126
"935998"	146.007463	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-H+Cl"	33.962126
"276742"	551.075002	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+Cl"	34.969402
"663695"	809.127802	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+Cl"	34.969402
"1280472"	293.022202	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Cl"	34.969402
"23026"	553.054206	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M-2H+K"	36.948606
"464774"	811.107006	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M-2H+K"	36.948606
"840391"	295.001406	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-2H+K"	36.948606
"1562786"	295.001406	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+K-2H"	36.948606
"951760"	303.050994	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-H+HCOOH"	44.998194
"369977"	561.103801	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+HCOOH-H"	44.998201
"356047"	575.119451	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+Hac-H"	59.013851
"1506705"	317.066651	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Hac-H"	59.013851
"973368"	325.032951	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-H+NaCOOH"	66.980151
"118055"	293.022202	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+2Cl"	69.938804
"560895"	422.048602	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+2Cl"	69.938804
"1030787"	163.995802	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2Cl"	69.938804
"1249273"	336.971685	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Br"	78.918885
"1308440"	339.027672	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Cl+HCOOH"	80.974872
"1332496"	361.009629	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Cl+NaCOOH"	102.956829
"919180"	371.038386	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M-H+CF3COOH"	112.985586
"1290785"	407.015064	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Cl+CF3COOH"	148.962264
"1370770"	223.040124	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H-2H2O"	-35.012676
"1387172"	241.0501	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H-H2O"	-17.0027
"282841"	517.112876	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+H"	1.007276
"676362"	775.165676	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+H"	1.007276
"1354534"	259.060076	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H"	1.007276
"129610"	259.060076	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+2H"	2.014552
"570264"	388.086476	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+2H"	2.014552
"1042344"	130.033676	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2H"	2.014552
"219000"	173.042476	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+3H"	3.021828
"654186"	259.060076	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+3H"	3.021828
"1173405"	87.024876	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+3H"	3.021828
"432303"	534.139423	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+NH4"	18.033823
"793298"	792.192223	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+NH4"	18.033823
"1691815"	276.086623	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+NH4"	18.033823
"337908"	267.5733495	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+H+NH4"	19.041099
"728141"	396.5997495	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+H+NH4"	19.041099
"1477137"	138.5469495	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H+NH4"	19.041099
"393475"	539.094818	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+Na"	22.989218
"756173"	797.147618	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+Na"	22.989218
"1606458"	281.042018	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Na"	22.989218
"314792"	270.051047	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+H+Na"	23.996494
"710010"	399.077447	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+H+Na"	23.996494
"1467112"	141.024647	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H+Na"	23.996494
"1057081"	94.35219	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2H+Na"	25.00377
"1261311"	291.086286	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+CH3OH+H"	33.033486
"381710"	555.068758	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+K"	38.963158
"739053"	813.121558	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+K"	38.963158
"1541839"	297.015958	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+K"	38.963158
"304121"	278.038017	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+H+K"	39.970434
"694356"	407.064417	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+H+K"	39.970434
"1452549"	149.011617	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H+K"	39.970434
"236048"	558.139426	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+ACN+H"	42.033826
"1217140"	300.086626	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+ACN+H"	42.033826
"1195191"	150.546951	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+ACN+2H"	43.041102
"188565"	561.07676	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+2Na-H"	44.97116
"629080"	819.12956	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+2Na-H"	44.97116
"1131571"	303.02396	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2Na-H"	44.97116
"178064"	281.042018	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+2Na"	45.978436
"613976"	410.068418	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+2Na"	45.978436
"1116385"	152.015618	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2Na"	45.978436
"1399912"	101.679504	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H+2Na"	46.985712
"1430938"	305.065546	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H+HCOOH"	47.012746
"222821"	286.07504	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+3H2O+2H"	56.04448
"1509059"	319.11759	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+IsoProp+H"	61.06479
"411303"	289.028988	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+Na+K"	61.952376
"770051"	418.055388	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+Na+K"	61.952376
"1667169"	160.002588	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Na+K"	61.952376
"256243"	580.121368	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+ACN+Na"	64.015768
"1228953"	322.068568	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+ACN+Na"	64.015768
"1722942"	322.092093	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+NH4+HCOOH"	64.039293
"1183559"	109.006818	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+3Na"	68.967654
"1654910"	327.047488	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Na+HCOOH"	68.994688
"160683"	593.02464	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+2K-H"	76.91904
"606804"	851.07744	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+2K-H"	76.91904
"1092410"	334.97184	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2K-H"	76.91904
"144852"	297.015958	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"2M+2K"	77.926316
"582709"	426.042358	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"3M+2K"	77.926316
"1069772"	167.989558	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2K"	77.926316
"1100142"	336.986392	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2K+H"	78.933592
"1335656"	337.074007	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+DMSO+H"	79.021207
"1005650"	341.113176	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2ACN+H"	83.060376
"1525172"	342.106808	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+IsoProp+Na+H"	84.054008
"989923"	171.060226	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+2ACN+2H"	84.067652
"1587205"	343.021428	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+K+HCOOH"	84.968628
"1414942"	373.052938	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+H+CF3COOH"	115.000138
"1151920"	191.573501	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+3ACN+2H"	125.094202
"1701473"	390.079485	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+NH4+CF3COOH"	132.026685
"1643686"	395.03488	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+Na+CF3COOH"	136.98208
"1584806"	411.00882	"C19357"	"3-Carbethoxypsoralen"	"C14H10O5"	"258.0528"	"M+K+CF3COOH"	152.95602
"808612"	501.9881	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M"	0
"982144"	482.96971	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-H2O-H"	-19.01839
"72580"	333.651457333333	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M-3H"	-3.021828
"517486"	500.980824	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M-3H"	-3.021828
"888848"	166.322090666667	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-3H"	-3.021828
"10705"	500.980824	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M-2H"	-2.014552
"449172"	751.974874	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M-2H"	-2.014552
"826976"	249.986774	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-2H"	-2.014552
"91343"	1002.968924	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M-H"	-1.007276
"527622"	1504.957024	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M-H"	-1.007276
"905423"	500.980824	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-H"	-1.007276
"59799"	1019.995471	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M-2H+NH4"	16.019271
"493893"	1521.983571	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M-2H+NH4"	16.019271
"873883"	518.007371	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-2H+NH4"	16.019271
"44699"	1024.950866	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M-2H+Na"	20.974666
"476603"	1526.938966	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M-2H+Na"	20.974666
"854774"	522.962766	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-2H+Na"	20.974666
"1626495"	522.962766	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Na-2H"	20.974666
"104121"	518.969163	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M-H+Cl"	33.962126
"539306"	769.963213	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M-H+Cl"	33.962126
"936108"	267.975113	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-H+Cl"	33.962126
"273572"	1038.945602	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+Cl"	34.969402
"663805"	1540.933702	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+Cl"	34.969402
"1279489"	536.957502	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Cl"	34.969402
"20950"	1040.924806	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M-2H+K"	36.948606
"457230"	1542.912906	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M-2H+K"	36.948606
"838313"	538.936706	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-2H+K"	36.948606
"1562895"	538.936706	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+K-2H"	36.948606
"950777"	546.986294	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-H+HCOOH"	44.998194
"371180"	1048.974401	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+HCOOH-H"	44.998201
"353971"	1062.990051	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+Hac-H"	59.013851
"1505357"	561.001951	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Hac-H"	59.013851
"973883"	568.968251	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-H+NaCOOH"	66.980151
"119259"	536.957502	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+2Cl"	69.938804
"563192"	787.951552	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+2Cl"	69.938804
"1029804"	285.963452	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2Cl"	69.938804
"1248290"	580.906985	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Br"	78.918885
"1308550"	582.962972	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Cl+HCOOH"	80.974872
"1330419"	604.944929	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Cl+NaCOOH"	102.956829
"919290"	614.973686	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M-H+CF3COOH"	112.985586
"1290531"	650.950364	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Cl+CF3COOH"	148.962264
"1370880"	466.975424	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H-2H2O"	-35.012676
"1387282"	484.9854	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H-H2O"	-17.0027
"283154"	1004.983476	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+H"	1.007276
"678295"	1506.971576	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+H"	1.007276
"1359019"	502.995376	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H"	1.007276
"129720"	502.995376	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+2H"	2.014552
"570739"	753.989426	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+2H"	2.014552
"1042454"	252.001326	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2H"	2.014552
"219474"	335.666009333333	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+3H"	3.021828
"651016"	502.995376	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+3H"	3.021828
"1172425"	168.336642666667	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+3H"	3.021828
"430228"	1022.010023	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+NH4"	18.033823
"792315"	1523.998123	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+NH4"	18.033823
"1691925"	520.021923	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+NH4"	18.033823
"340205"	511.5086495	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+H+NH4"	19.041099
"724974"	762.5026995	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+H+NH4"	19.041099
"1478796"	260.5145995	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H+NH4"	19.041099
"394195"	1026.965418	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+Na"	22.989218
"757378"	1528.953518	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+Na"	22.989218
"1604745"	524.977318	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Na"	22.989218
"316605"	513.986347	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+H+Na"	23.996494
"710121"	764.980397	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+H+Na"	23.996494
"1466129"	262.992297	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H+Na"	23.996494
"1059379"	175.663956666667	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2H+Na"	25.00377
"1261786"	535.021586	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+CH3OH+H"	33.033486
"381091"	1042.939358	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+K"	38.963158
"742814"	1544.927458	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+K"	38.963158
"1544868"	540.951258	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+K"	38.963158
"306418"	521.973317	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+H+K"	39.970434
"695924"	772.967367	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+H+K"	39.970434
"1452660"	270.979267	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H+K"	39.970434
"240898"	1046.010026	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+ACN+H"	42.033826
"1219437"	544.021926	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+ACN+H"	42.033826
"1196759"	272.514601	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+ACN+2H"	43.041102
"189997"	1048.94736	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+2Na-H"	44.97116
"632474"	1550.93546	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+2Na-H"	44.97116
"1132693"	546.95926	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2Na-H"	44.97116
"174527"	524.977318	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+2Na"	45.978436
"613725"	775.971368	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+2Na"	45.978436
"1117233"	273.983268	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2Na"	45.978436
"1400749"	182.991270666667	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H+2Na"	46.985712
"1432506"	549.000846	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H+HCOOH"	47.012746
"222201"	530.01034	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+3H2O+2H"	56.04448
"1509900"	563.05289	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+IsoProp+H"	61.06479
"412142"	532.964288	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+Na+K"	61.952376
"772407"	783.958338	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+Na+K"	61.952376
"1669466"	281.970238	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Na+K"	61.952376
"251978"	1067.991968	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+ACN+Na"	64.015768
"1227607"	566.003868	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+ACN+Na"	64.015768
"1713086"	566.027393	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+NH4+HCOOH"	64.039293
"1181118"	190.318584666667	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+3Na"	68.967654
"1652833"	570.982788	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Na+HCOOH"	68.994688
"157382"	1080.89524	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+2K-H"	76.91904
"597177"	1582.88334	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+2K-H"	76.91904
"1084572"	578.90714	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2K-H"	76.91904
"141490"	540.951258	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"2M+2K"	77.926316
"581848"	791.945308	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"3M+2K"	77.926316
"1069264"	289.957208	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2K"	77.926316
"1099925"	580.921692	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2K+H"	78.933592
"1336305"	581.009307	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+DMSO+H"	79.021207
"1005671"	585.048476	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2ACN+H"	83.060376
"1525156"	586.042108	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+IsoProp+Na+H"	84.054008
"990151"	293.027876	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+2ACN+2H"	84.067652
"1587158"	586.956728	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+K+HCOOH"	84.968628
"1414811"	616.988238	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+H+CF3COOH"	115.000138
"1147528"	313.541151	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+3ACN+2H"	125.094202
"1701583"	634.014785	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+NH4+CF3COOH"	132.026685
"1643796"	638.97018	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+Na+CF3COOH"	136.98208
"1584916"	654.94412	"C19358"	"Carmoisine;Azorubin;CI Acid Red 14"	"C20H12N2O7S22Na"	"501.9881"	"M+K+CF3COOH"	152.95602
"808722"	50.9876	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M"	0
"977881"	31.96921	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-H2O-H"	-19.01839
"71597"	32.9844573333333	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M-3H"	-3.021828
"516260"	49.980324	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M-3H"	-3.021828
"890052"	15.9885906666667	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-3H"	-3.021828
"10814"	49.980324	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M-2H"	-2.014552
"444907"	75.474124	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M-2H"	-2.014552
"827086"	24.486524	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-2H"	-2.014552
"89265"	100.967924	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M-H"	-1.007276
"523359"	151.955524	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M-H"	-1.007276
"901159"	49.980324	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-H"	-1.007276
"56628"	117.994471	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M-2H+NH4"	16.019271
"498375"	168.982071	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M-2H+NH4"	16.019271
"871805"	67.006871	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-2H+NH4"	16.019271
"36060"	122.949866	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M-2H+Na"	20.974666
"480361"	173.937466	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M-2H+Na"	20.974666
"854881"	71.962266	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-2H+Na"	20.974666
"1624418"	71.962266	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Na-2H"	20.974666
"94747"	67.968663	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M-H+Cl"	33.962126
"537230"	93.462463	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M-H+Cl"	33.962126
"932938"	42.474863	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-H+Cl"	33.962126
"273682"	136.944602	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+Cl"	34.969402
"661119"	187.932202	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+Cl"	34.969402
"1278505"	85.957002	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Cl"	34.969402
"21060"	138.923806	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M-2H+K"	36.948606
"457340"	189.911406	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M-2H+K"	36.948606
"839516"	87.936206	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-2H+K"	36.948606
"1559723"	87.936206	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+K-2H"	36.948606
"953074"	95.985794	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-H+HCOOH"	44.998194
"371290"	146.973401	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+HCOOH-H"	44.998201
"356267"	160.989051	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+Hac-H"	59.013851
"1504374"	110.001451	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Hac-H"	59.013851
"973873"	117.967751	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-H+NaCOOH"	66.980151
"122649"	85.957002	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+2Cl"	69.938804
"564396"	111.450802	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+2Cl"	69.938804
"1031007"	60.463202	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2Cl"	69.938804
"1245118"	129.906485	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Br"	78.918885
"1311940"	131.962472	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Cl+HCOOH"	80.974872
"1329436"	153.944429	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Cl+NaCOOH"	102.956829
"919400"	163.973186	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M-H+CF3COOH"	112.985586
"1293922"	199.949864	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Cl+CF3COOH"	148.962264
"1367381"	15.974924	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H-2H2O"	-35.012676
"1383054"	33.9849	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H-H2O"	-17.0027
"284160"	102.982476	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+H"	1.007276
"677313"	153.970076	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+H"	1.007276
"1354754"	51.994876	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H"	1.007276
"134204"	51.994876	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+2H"	2.014552
"571578"	77.488676	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+2H"	2.014552
"1042563"	26.501076	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2H"	2.014552
"218126"	34.9990093333333	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+3H"	3.021828
"651126"	51.994876	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+3H"	3.021828
"1172535"	18.0031426666667	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+3H"	3.021828
"429245"	120.009023	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+NH4"	18.033823
"794612"	170.996623	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+NH4"	18.033823
"1687662"	69.021423	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+NH4"	18.033823
"331567"	60.5081495	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+H+NH4"	19.041099
"724719"	86.0019495	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+H+NH4"	19.041099
"1478541"	35.0143495	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H+NH4"	19.041099
"393284"	124.964418	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+Na"	22.989218
"756029"	175.952018	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+Na"	22.989218
"1603397"	73.976818	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Na"	22.989218
"315623"	62.985847	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+H+Na"	23.996494
"709138"	88.479647	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+H+Na"	23.996494
"1466237"	37.492047	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H+Na"	23.996494
"1058397"	25.3304566666667	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2H+Na"	25.00377
"1260437"	84.021086	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+CH3OH+H"	33.033486
"378648"	140.938358	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+K"	38.963158
"740007"	191.925958	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+K"	38.963158
"1546434"	89.950758	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+K"	38.963158
"301423"	70.972817	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+H+K"	39.970434
"697490"	96.466617	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+H+K"	39.970434
"1452770"	45.479017	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H+K"	39.970434
"239915"	144.009026	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+ACN+H"	42.033826
"1217360"	93.021426	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+ACN+H"	42.033826
"1196507"	47.014351	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+ACN+2H"	43.041102
"189497"	146.94636	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+2Na-H"	44.97116
"630396"	197.93396	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+2Na-H"	44.97116
"1133895"	95.95876	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2Na-H"	44.97116
"175733"	73.976818	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+2Na"	45.978436
"614926"	99.470618	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+2Na"	45.978436
"1117703"	48.483018	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2Na"	45.978436
"1402685"	32.6577706666667	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H+2Na"	46.985712
"1433709"	98.000346	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H+HCOOH"	47.012746
"224132"	79.00984	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+3H2O+2H"	56.04448
"1510372"	112.05239	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+IsoProp+H"	61.06479
"409697"	81.963788	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+Na+K"	61.952376
"772149"	107.457588	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+Na+K"	61.952376
"1669576"	56.469988	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Na+K"	61.952376
"256099"	165.990968	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+ACN+Na"	64.015768
"1229173"	115.003368	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+ACN+Na"	64.015768
"1716966"	115.026893	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+NH4+HCOOH"	64.039293
"1181958"	39.9850846666667	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+3Na"	68.967654
"1654038"	119.982288	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Na+HCOOH"	68.994688
"158350"	178.89424	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+2K-H"	76.91904
"598026"	229.88184	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+2K-H"	76.91904
"1084723"	127.90664	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2K-H"	76.91904
"141748"	89.950758	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"2M+2K"	77.926316
"581863"	115.444558	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"3M+2K"	77.926316
"1068806"	64.456958	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2K"	77.926316
"1100322"	129.921192	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2K+H"	78.933592
"1335768"	130.008807	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+DMSO+H"	79.021207
"1005763"	134.047976	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2ACN+H"	83.060376
"1525145"	135.041608	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+IsoProp+Na+H"	84.054008
"990138"	67.527626	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+2ACN+2H"	84.067652
"1587030"	135.956228	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+K+HCOOH"	84.968628
"1414921"	165.987738	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+H+CF3COOH"	115.000138
"1147515"	88.040901	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+3ACN+2H"	125.094202
"1697106"	183.014285	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+NH4+CF3COOH"	132.026685
"1635156"	187.96968	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+Na+CF3COOH"	136.98208
"1585026"	203.94362	"C19359"	"Chloramine"	"NH2Cl"	"50.9876"	"M+K+CF3COOH"	152.95602
"816721"	74.9876	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M"	0
"984553"	55.96921	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-H2O-H"	-19.01839
"76079"	48.9844573333333	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M-3H"	-3.021828
"516733"	73.980324	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M-3H"	-3.021828
"890161"	23.9885906666667	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-3H"	-3.021828
"13110"	73.980324	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M-2H"	-2.014552
"453768"	111.474124	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M-2H"	-2.014552
"830478"	36.486524	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-2H"	-2.014552
"94117"	148.967924	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M-H"	-1.007276
"523472"	223.955524	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M-H"	-1.007276
"899448"	73.980324	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-H"	-1.007276
"49449"	165.994471	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M-2H+NH4"	16.019271
"496300"	240.982071	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M-2H+NH4"	16.019271
"877019"	91.006871	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-2H+NH4"	16.019271
"45770"	170.949866	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M-2H+Na"	20.974666
"484842"	245.937466	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M-2H+Na"	20.974666
"861557"	95.962266	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-2H+Na"	20.974666
"1625621"	95.962266	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Na-2H"	20.974666
"98869"	91.968663	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M-H+Cl"	33.962126
"539526"	129.462463	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M-H+Cl"	33.962126
"935233"	54.474863	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-H+Cl"	33.962126
"272696"	184.944602	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+Cl"	34.969402
"668398"	259.932202	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+Cl"	34.969402
"1282990"	109.957002	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Cl"	34.969402
"25545"	186.923806	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M-2H+K"	36.948606
"459637"	261.911406	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M-2H+K"	36.948606
"836347"	111.936206	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-2H+K"	36.948606
"1558740"	111.936206	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+K-2H"	36.948606
"953185"	119.985794	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-H+HCOOH"	44.998194
"375047"	194.973401	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+HCOOH-H"	44.998201
"354191"	208.989051	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+Hac-H"	59.013851
"1507164"	134.001451	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Hac-H"	59.013851
"972401"	141.967751	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-H+NaCOOH"	66.980151
"117293"	109.957002	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+2Cl"	69.938804
"559039"	147.450802	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+2Cl"	69.938804
"1026744"	72.463202	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2Cl"	69.938804
"1247413"	153.906485	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Br"	78.918885
"1313144"	155.962472	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Cl+HCOOH"	80.974872
"1324079"	177.944429	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Cl+NaCOOH"	102.956829
"920604"	187.973186	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M-H+CF3COOH"	112.985586
"1298405"	223.949864	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Cl+CF3COOH"	148.962264
"1372192"	39.974924	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H-2H2O"	-35.012676
"1389689"	57.9849	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H-H2O"	-17.0027
"293749"	150.982476	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+H"	1.007276
"688723"	225.970076	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+H"	1.007276
"1360332"	75.994876	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H"	1.007276
"138690"	75.994876	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+2H"	2.014552
"576064"	113.488676	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+2H"	2.014552
"1042677"	38.501076	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2H"	2.014552
"218235"	50.9990093333333	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+3H"	3.021828
"653422"	75.994876	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+3H"	3.021828
"1172645"	26.0031426666667	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+3H"	3.021828
"433730"	168.009023	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+NH4"	18.033823
"793632"	242.996623	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+NH4"	18.033823
"1688867"	93.021423	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+NH4"	18.033823
"336055"	84.5081495	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+H+NH4"	19.041099
"729570"	122.0019495	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+H+NH4"	19.041099
"1487765"	47.0143495	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H+NH4"	19.041099
"399882"	172.964418	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+Na"	22.989218
"759786"	247.952018	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+Na"	22.989218
"1611164"	97.976818	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Na"	22.989218
"320107"	86.985847	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+H+Na"	23.996494
"713623"	124.479647	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+H+Na"	23.996494
"1469629"	49.492047	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H+Na"	23.996494
"1059600"	33.3304566666667	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2H+Na"	25.00377
"1264560"	108.021086	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+CH3OH+H"	33.033486
"385322"	188.938358	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+K"	38.963158
"748505"	263.925958	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+K"	38.963158
"1550557"	113.950758	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+K"	38.963158
"310649"	94.972817	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+H+K"	39.970434
"699060"	132.466617	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+H+K"	39.970434
"1456160"	57.479017	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H+K"	39.970434
"245857"	192.009026	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+ACN+H"	42.033826
"1216380"	117.021426	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+ACN+H"	42.033826
"1203545"	59.014351	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+ACN+2H"	43.041102
"192040"	194.94636	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+2Na-H"	44.97116
"634519"	269.93396	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+2Na-H"	44.97116
"1134378"	119.95876	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2Na-H"	44.97116
"178761"	97.976818	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+2Na"	45.978436
"614675"	135.470618	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+2Na"	45.978436
"1119278"	60.483018	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2Na"	45.978436
"1400611"	40.6577706666667	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H+2Na"	46.985712
"1431634"	122.000346	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H+HCOOH"	47.012746
"220964"	103.00984	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+3H2O+2H"	56.04448
"1512673"	136.05239	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+IsoProp+H"	61.06479
"417830"	105.963788	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+Na+K"	61.952376
"770802"	143.457588	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+Na+K"	61.952376
"1670050"	68.469988	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Na+K"	61.952376
"260582"	213.990968	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+ACN+Na"	64.015768
"1234388"	139.003368	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+ACN+Na"	64.015768
"1718171"	139.026893	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+NH4+HCOOH"	64.039293
"1185350"	47.9850846666667	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+3Na"	68.967654
"1654149"	143.982288	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Na+HCOOH"	68.994688
"160283"	226.89424	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+2K-H"	76.91904
"601667"	301.88184	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+2K-H"	76.91904
"1090554"	151.90664	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2K-H"	76.91904
"145184"	113.950758	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"2M+2K"	77.926316
"586932"	151.444558	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"3M+2K"	77.926316
"1069129"	76.456958	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2K"	77.926316
"1101495"	153.921192	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2K+H"	78.933592
"1341037"	154.008807	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+DMSO+H"	79.021207
"1007377"	158.047976	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2ACN+H"	83.060376
"1524773"	159.041608	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+IsoProp+Na+H"	84.054008
"990979"	79.527626	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+2ACN+2H"	84.067652
"1587304"	159.956228	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+K+HCOOH"	84.968628
"1414273"	189.987738	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+H+CF3COOH"	115.000138
"1147871"	100.040901	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+3ACN+2H"	125.094202
"1698522"	207.014285	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+NH4+CF3COOH"	132.026685
"1638546"	211.96968	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+Na+CF3COOH"	136.98208
"1585136"	227.94362	"C19360"	"Chloroacetonitrile"	"C2H2ClN"	"74.9876"	"M+K+CF3COOH"	152.95602
"815506"	85.9735	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M"	0
"987582"	66.95511	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-H2O-H"	-19.01839
"71812"	56.3083906666667	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M-3H"	-3.021828
"515750"	84.966224	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M-3H"	-3.021828
"885896"	27.6505573333333	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-3H"	-3.021828
"9940"	84.966224	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M-2H"	-2.014552
"455335"	127.952974	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M-2H"	-2.014552
"830585"	41.979474	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-2H"	-2.014552
"89483"	170.939724	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M-H"	-1.007276
"527957"	256.913224	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M-H"	-1.007276
"904663"	84.966224	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-H"	-1.007276
"55759"	187.966271	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M-2H+NH4"	16.019271
"501760"	273.939771	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M-2H+NH4"	16.019271
"879646"	101.992771	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-2H+NH4"	16.019271
"46124"	192.921666	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M-2H+Na"	20.974666
"487043"	278.895166	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M-2H+Na"	20.974666
"864022"	106.948166	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-2H+Na"	20.974666
"1625733"	106.948166	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Na-2H"	20.974666
"98982"	102.954563	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M-H+Cl"	33.962126
"539636"	145.941313	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M-H+Cl"	33.962126
"932064"	59.967813	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-H+Cl"	33.962126
"273901"	206.916402	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+Cl"	34.969402
"666322"	292.889902	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+Cl"	34.969402
"1283099"	120.942902	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Cl"	34.969402
"25656"	208.895606	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M-2H+K"	36.948606
"468497"	294.869106	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M-2H+K"	36.948606
"838644"	122.922106	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-2H+K"	36.948606
"1562132"	122.922106	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+K-2H"	36.948606
"957670"	130.971694	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-H+HCOOH"	44.998194
"375521"	216.945201	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+HCOOH-H"	44.998201
"360018"	230.960851	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+Hac-H"	59.013851
"1507150"	144.987351	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Hac-H"	59.013851
"973120"	152.953651	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-H+NaCOOH"	66.980151
"120683"	120.942902	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+2Cl"	69.938804
"558057"	163.929652	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+2Cl"	69.938804
"1031959"	77.956152	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2Cl"	69.938804
"1247526"	164.892385	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Br"	78.918885
"1315441"	166.948372	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Cl+HCOOH"	80.974872
"1324189"	188.930329	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Cl+NaCOOH"	102.956829
"924361"	198.959086	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M-H+CF3COOH"	112.985586
"1300339"	234.935764	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Cl+CF3COOH"	148.962264
"1381783"	50.960824	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H-2H2O"	-35.012676
"1394903"	68.9708	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H-H2O"	-17.0027
"296412"	172.954276	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+H"	1.007276
"689201"	258.927776	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+H"	1.007276
"1365186"	86.980776	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H"	1.007276
"138435"	86.980776	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+2H"	2.014552
"576174"	129.967526	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+2H"	2.014552
"1044974"	43.994026	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2H"	2.014552
"217617"	58.3229426666667	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+3H"	3.021828
"659002"	86.980776	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+3H"	3.021828
"1176765"	29.6651093333333	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+3H"	3.021828
"438216"	189.980823	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+NH4"	18.033823
"797024"	275.954323	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+NH4"	18.033823
"1695175"	104.007323	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+NH4"	18.033823
"344184"	95.4940495	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+H+NH4"	19.041099
"735147"	138.4807995	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+H+NH4"	19.041099
"1488970"	52.5072995	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H+NH4"	19.041099
"401085"	194.936218	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+Na"	22.989218
"762085"	280.909718	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+Na"	22.989218
"1610181"	108.962718	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Na"	22.989218
"321311"	97.971747	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+H+Na"	23.996494
"715923"	140.958497	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+H+Na"	23.996494
"1469744"	54.984997	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H+Na"	23.996494
"1064083"	36.9924233333333	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2H+Na"	25.00377
"1264666"	119.006986	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+CH3OH+H"	33.033486
"385434"	210.910158	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+K"	38.963158
"744242"	296.883658	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+K"	38.963158
"1551761"	124.936658	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+K"	38.963158
"308938"	105.958717	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+H+K"	39.970434
"701360"	148.945467	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+H+K"	39.970434
"1456271"	62.971967	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H+K"	39.970434
"249248"	213.980826	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+ACN+H"	42.033826
"1219771"	128.007326	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+ACN+H"	42.033826
"1206571"	64.507301	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+ACN+2H"	43.041102
"197619"	216.91816	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+2Na-H"	44.97116
"636087"	302.89166	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+2Na-H"	44.97116
"1142873"	130.94466	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2Na-H"	44.97116
"178508"	108.962718	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+2Na"	45.978436
"619163"	151.949468	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+2Na"	45.978436
"1119755"	65.975968	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2Na"	45.978436
"1406192"	44.3197373333333	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H+2Na"	46.985712
"1430651"	132.986246	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H+HCOOH"	47.012746
"221439"	113.99574	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+3H2O+2H"	56.04448
"1510959"	147.03829	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+IsoProp+H"	61.06479
"412105"	116.949688	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+Na+K"	61.952376
"771641"	159.936438	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+Na+K"	61.952376
"1670524"	73.962938	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Na+K"	61.952376
"256315"	235.962768	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+ACN+Na"	64.015768
"1234498"	149.989268	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+ACN+Na"	64.015768
"1717917"	150.012793	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+NH4+HCOOH"	64.039293
"1185460"	51.6470513333333	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+3Na"	68.967654
"1655353"	154.968188	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Na+HCOOH"	68.994688
"166589"	248.86604	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+2K-H"	76.91904
"601778"	334.83954	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+2K-H"	76.91904
"1091758"	162.89254	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2K-H"	76.91904
"145295"	124.936658	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"2M+2K"	77.926316
"589231"	167.923408	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"3M+2K"	77.926316
"1071555"	81.949908	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2K"	77.926316
"1101604"	164.907092	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2K+H"	78.933592
"1339327"	164.994707	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+DMSO+H"	79.021207
"1007733"	169.033876	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2ACN+H"	83.060376
"1529989"	170.027508	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+IsoProp+Na+H"	84.054008
"992065"	85.020576	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+2ACN+2H"	84.067652
"1588026"	170.942128	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+K+HCOOH"	84.968628
"1415142"	200.973638	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+H+CF3COOH"	115.000138
"1147741"	105.533851	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+3ACN+2H"	125.094202
"1699726"	218.000185	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+NH4+CF3COOH"	132.026685
"1638659"	222.95558	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+Na+CF3COOH"	136.98208
"1585246"	238.92952	"C19361"	"Chlorodifluoromethane"	"CHClF2"	"85.9735"	"M+K+CF3COOH"	152.95602
"816102"	67.9829	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M"	0
"983680"	48.96451	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-H2O-H"	-19.01839
"70831"	44.3146573333333	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M-3H"	-3.021828
"515860"	66.975624	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M-3H"	-3.021828
"888195"	21.6536906666667	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-3H"	-3.021828
"12238"	66.975624	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M-2H"	-2.014552
"452893"	100.967074	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M-2H"	-2.014552
"828508"	32.984174	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-2H"	-2.014552
"90689"	134.958524	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M-H"	-1.007276
"526971"	202.941424	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M-H"	-1.007276
"899305"	66.975624	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-H"	-1.007276
"48574"	151.985071	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M-2H+NH4"	16.019271
"493240"	219.967971	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M-2H+NH4"	16.019271
"871042"	84.002171	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-2H+NH4"	16.019271
"38944"	156.940466	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M-2H+Na"	20.974666
"483607"	224.923366	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M-2H+Na"	20.974666
"858493"	88.957566	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-2H+Na"	20.974666
"1618914"	88.957566	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Na-2H"	20.974666
"99088"	84.963963	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M-H+Cl"	33.962126
"537559"	118.955413	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M-H+Cl"	33.962126
"929987"	50.972513	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-H+Cl"	33.962126
"268297"	170.935202	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+Cl"	34.969402
"667525"	238.918102	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+Cl"	34.969402
"1279927"	102.952302	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Cl"	34.969402
"26860"	172.914406	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M-2H+K"	36.948606
"466420"	240.897306	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M-2H+K"	36.948606
"836567"	104.931506	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-2H+K"	36.948606
"1557136"	104.931506	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+K-2H"	36.948606
"950124"	112.981094	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-H+HCOOH"	44.998194
"375630"	180.964001	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+HCOOH-H"	44.998201
"359883"	194.979651	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+Hac-H"	59.013851
"1507625"	126.996751	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Hac-H"	59.013851
"973594"	134.963051	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-H+NaCOOH"	66.980151
"123710"	102.952302	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+2Cl"	69.938804
"560353"	136.943752	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+2Cl"	69.938804
"1030246"	68.960852	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2Cl"	69.938804
"1247636"	146.901785	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Br"	78.918885
"1317372"	148.957772	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Cl+HCOOH"	80.974872
"1330858"	170.939729	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Cl+NaCOOH"	102.956829
"920824"	180.968486	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M-H+CF3COOH"	112.985586
"1301177"	216.945164	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Cl+CF3COOH"	148.962264
"1375694"	32.970224	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H-2H2O"	-35.012676
"1393191"	50.9802	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H-H2O"	-17.0027
"293971"	136.973076	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+H"	1.007276
"687488"	204.955976	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+H"	1.007276
"1362014"	68.990176	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H"	1.007276
"135629"	68.990176	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+2H"	2.014552
"577375"	102.981626	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+2H"	2.014552
"1045084"	34.998726	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2H"	2.014552
"212986"	46.3292093333333	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+3H"	3.021828
"658262"	68.990176	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+3H"	3.021828
"1175781"	23.6682426666667	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+3H"	3.021828
"435045"	153.999623	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+NH4"	18.033823
"798958"	221.982523	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+NH4"	18.033823
"1691278"	86.016723	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+NH4"	18.033823
"342836"	77.5034495	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+H+NH4"	19.041099
"730883"	111.4948995	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+H+NH4"	19.041099
"1485797"	43.5119995	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H+NH4"	19.041099
"401196"	158.955018	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+Na"	22.989218
"766935"	226.937918	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+Na"	22.989218
"1611387"	90.972118	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Na"	22.989218
"320330"	79.981147	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+H+Na"	23.996494
"716033"	113.972597	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+H+Na"	23.996494
"1467667"	45.989697	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H+Na"	23.996494
"1063100"	30.9955566666667	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2H+Na"	25.00377
"1264778"	101.016386	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+CH3OH+H"	33.033486
"388824"	174.928958	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+K"	38.963158
"752005"	242.911858	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+K"	38.963158
"1551872"	106.946058	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+K"	38.963158
"311236"	87.968117	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+H+K"	39.970434
"701470"	121.959567	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+H+K"	39.970434
"1454196"	53.976667	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H+K"	39.970434
"246081"	177.999626	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+ACN+H"	42.033826
"1220976"	110.016726	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+ACN+H"	42.033826
"1202672"	55.512001	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+ACN+2H"	43.041102
"195544"	180.93696	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+2Na-H"	44.97116
"634010"	248.91986	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+2Na-H"	44.97116
"1142982"	112.95406	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2Na-H"	44.97116
"178618"	90.972118	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+2Na"	45.978436
"616720"	124.963568	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+2Na"	45.978436
"1122779"	56.980668	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2Na"	45.978436
"1403019"	38.3228706666667	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H+2Na"	46.985712
"1435139"	114.995646	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H+HCOOH"	47.012746
"223377"	96.00514	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+3H2O+2H"	56.04448
"1512893"	129.04769	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+IsoProp+H"	61.06479
"410757"	98.959088	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+Na+K"	61.952376
"775033"	132.950538	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+Na+K"	61.952376
"1671000"	64.967638	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Na+K"	61.952376
"256062"	199.981568	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+ACN+Na"	64.015768
"1233514"	131.998668	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+ACN+Na"	64.015768
"1718028"	132.022193	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+NH4+HCOOH"	64.039293
"1185570"	45.6501846666667	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+3Na"	68.967654
"1658744"	136.977588	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Na+HCOOH"	68.994688
"165606"	212.88484	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+2K-H"	76.91904
"607356"	280.86774	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+2K-H"	76.91904
"1092963"	144.90194	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2K-H"	76.91904
"149780"	106.946058	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"2M+2K"	77.926316
"591527"	140.937508	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"3M+2K"	77.926316
"1078226"	72.954608	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2K"	77.926316
"1100985"	146.916492	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2K+H"	78.933592
"1341260"	147.004107	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+DMSO+H"	79.021207
"1007601"	151.043276	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2ACN+H"	83.060376
"1530099"	152.036908	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+IsoProp+Na+H"	84.054008
"994363"	76.025276	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+2ACN+2H"	84.067652
"1588502"	152.951528	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+K+HCOOH"	84.968628
"1415615"	182.983038	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+H+CF3COOH"	115.000138
"1147608"	96.538551	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+3ACN+2H"	125.094202
"1703116"	200.009585	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+NH4+CF3COOH"	132.026685
"1644236"	204.96498	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+Na+CF3COOH"	136.98208
"1585356"	220.93892	"C19362"	"Chlorofluoromethane"	"CH2ClF"	"67.9829"	"M+K+CF3COOH"	152.95602
"809161"	90.0236	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M"	0
"987800"	71.00521	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-H2O-H"	-19.01839
"75314"	59.0084573333333	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M-3H"	-3.021828
"513783"	89.016324	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M-3H"	-3.021828
"885023"	29.0005906666667	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-3H"	-3.021828
"13441"	89.016324	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M-2H"	-2.014552
"450817"	134.028124	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M-2H"	-2.014552
"829714"	44.004524	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-2H"	-2.014552
"92501"	179.039924	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M-H"	-1.007276
"521613"	269.063524	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M-H"	-1.007276
"898319"	89.016324	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-H"	-1.007276
"51238"	196.066471	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M-2H+NH4"	16.019271
"494444"	286.090071	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M-2H+NH4"	16.019271
"870060"	106.042871	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-2H+NH4"	16.019271
"36138"	201.021866	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M-2H+Na"	20.974666
"483717"	291.045466	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M-2H+Na"	20.974666
"859333"	110.998266	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-2H+Na"	20.974666
"1619753"	110.998266	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Na-2H"	20.974666
"94620"	107.004663	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M-H+Cl"	33.962126
"538760"	152.016463	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M-H+Cl"	33.962126
"931191"	61.992863	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-H+Cl"	33.962126
"269747"	215.016602	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+Cl"	34.969402
"663260"	305.040202	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+Cl"	34.969402
"1277850"	124.993002	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Cl"	34.969402
"21502"	216.995806	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M-2H+K"	36.948606
"465436"	307.019406	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M-2H+K"	36.948606
"842145"	126.972206	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-2H+K"	36.948606
"1559070"	126.972206	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+K-2H"	36.948606
"953515"	135.021794	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-H+HCOOH"	44.998194
"372824"	225.045401	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+HCOOH-H"	44.998201
"361258"	239.061051	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+Hac-H"	59.013851
"1507855"	149.037451	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Hac-H"	59.013851
"972368"	157.003751	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-H+NaCOOH"	66.980151
"117622"	124.993002	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+2Cl"	69.938804
"561558"	170.004802	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+2Cl"	69.938804
"1031450"	79.981202	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2Cl"	69.938804
"1251029"	168.942485	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Br"	78.918885
"1317482"	170.998472	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Cl+HCOOH"	80.974872
"1329876"	192.980429	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Cl+NaCOOH"	102.956829
"919841"	203.009186	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M-H+CF3COOH"	112.985586
"1297643"	238.985864	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Cl+CF3COOH"	148.962264
"1378719"	55.010924	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H-2H2O"	-35.012676
"1388561"	73.0209	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H-H2O"	-17.0027
"288614"	181.054476	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+H"	1.007276
"685409"	271.078076	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+H"	1.007276
"1361757"	91.030876	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H"	1.007276
"138655"	91.030876	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+2H"	2.014552
"579672"	136.042676	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+2H"	2.014552
"1044100"	46.019076	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2H"	2.014552
"217353"	61.0230093333333	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+3H"	3.021828
"655943"	91.030876	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+3H"	3.021828
"1174798"	31.0151426666667	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+3H"	3.021828
"438073"	198.081023	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+NH4"	18.033823
"796881"	288.104623	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+NH4"	18.033823
"1692481"	108.057423	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+NH4"	18.033823
"341490"	99.5441495	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+H+NH4"	19.041099
"733179"	144.5559495	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+H+NH4"	19.041099
"1487730"	54.5323495	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H+NH4"	19.041099
"404952"	203.036418	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+Na"	22.989218
"763763"	293.060018	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+Na"	22.989218
"1612957"	113.012818	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Na"	22.989218
"319346"	102.021847	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+H+Na"	23.996494
"716143"	147.033647	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+H+Na"	23.996494
"1471056"	57.010047	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H+Na"	23.996494
"1063210"	38.3424566666667	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2H+Na"	25.00377
"1264888"	123.057086	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+CH3OH+H"	33.033486
"382378"	219.010358	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+K"	38.963158
"746650"	309.033958	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+K"	38.963158
"1546518"	128.986758	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+K"	38.963158
"303695"	110.008817	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+H+K"	39.970434
"699397"	155.020617	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+H+K"	39.970434
"1454307"	64.997017	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H+K"	39.970434
"242911"	222.081026	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+ACN+H"	42.033826
"1217806"	132.057426	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+ACN+H"	42.033826
"1201689"	66.532351	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+ACN+2H"	43.041102
"192009"	225.01836	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+2Na-H"	44.97116
"629745"	315.04196	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+2Na-H"	44.97116
"1133251"	134.99476	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2Na-H"	44.97116
"180914"	113.012818	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+2Na"	45.978436
"615001"	158.024618	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+2Na"	45.978436
"1118147"	68.001018	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2Na"	45.978436
"1400207"	45.6697706666667	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H+2Na"	46.985712
"1433059"	137.036346	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H+HCOOH"	47.012746
"222759"	118.04584	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+3H2O+2H"	56.04448
"1510083"	151.08839	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+IsoProp+H"	61.06479
"412325"	120.999788	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+Na+K"	61.952376
"772224"	166.011588	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+Na+K"	61.952376
"1668921"	75.987988	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Na+K"	61.952376
"257631"	244.062968	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+ACN+Na"	64.015768
"1231798"	154.039368	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+ACN+Na"	64.015768
"1720325"	154.062893	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+NH4+HCOOH"	64.039293
"1183492"	52.9970846666667	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+3Na"	68.967654
"1658854"	159.018288	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Na+HCOOH"	68.994688
"168996"	256.96624	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+2K-H"	76.91904
"605280"	346.98984	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+2K-H"	76.91904
"1093073"	166.94264	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2K-H"	76.91904
"147704"	128.986758	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"2M+2K"	77.926316
"588357"	173.998558	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"3M+2K"	77.926316
"1075056"	83.974958	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2K"	77.926316
"1106077"	168.957192	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2K+H"	78.933592
"1336996"	169.044807	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+DMSO+H"	79.021207
"1006617"	173.083976	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2ACN+H"	83.060376
"1529116"	174.077608	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+IsoProp+Na+H"	84.054008
"995566"	87.045626	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+2ACN+2H"	84.067652
"1590070"	174.992228	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+K+HCOOH"	84.968628
"1415117"	205.023738	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+H+CF3COOH"	115.000138
"1150394"	107.558901	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+3ACN+2H"	125.094202
"1703227"	222.050285	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+NH4+CF3COOH"	132.026685
"1644346"	227.00568	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+Na+CF3COOH"	136.98208
"1585466"	242.97962	"C19363"	"3-Chloro-2-methylpropene"	"C4H7Cl"	"90.0236"	"M+K+CF3COOH"	152.95602
"805991"	156.9931	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M"	0
"979523"	137.97471	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H2O-H"	-19.01839
"74332"	103.654790666667	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-3H"	-3.021828
"516080"	155.985824	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-3H"	-3.021828
"885135"	51.3237573333333	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-3H"	-3.021828
"13553"	155.985824	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H"	-2.014552
"450928"	234.482374	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H"	-2.014552
"829824"	77.489274	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H"	-2.014552
"92852"	312.978924	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-H"	-1.007276
"525003"	469.972024	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-H"	-1.007276
"901711"	155.985824	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H"	-1.007276
"54993"	330.005471	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+NH4"	16.019271
"492367"	486.998571	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+NH4"	16.019271
"873450"	173.012371	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+NH4"	16.019271
"38070"	334.960866	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+Na"	20.974666
"482734"	491.953966	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+Na"	20.974666
"860902"	177.967766	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+Na"	20.974666
"1619495"	177.967766	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na-2H"	20.974666
"94321"	173.974163	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-H+Cl"	33.962126
"534860"	252.470713	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-H+Cl"	33.962126
"930207"	95.477613	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+Cl"	33.962126
"267912"	348.955602	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Cl"	34.969402
"661426"	505.948702	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Cl"	34.969402
"1274680"	191.962502	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl"	34.969402
"22703"	350.934806	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M-2H+K"	36.948606
"465545"	507.927906	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M-2H+K"	36.948606
"843349"	193.941706	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-2H+K"	36.948606
"1560273"	193.941706	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K-2H"	36.948606
"956177"	201.991294	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+HCOOH"	44.998194
"372570"	358.984401	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+HCOOH-H"	44.998201
"360880"	373.000051	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Hac-H"	59.013851
"1507362"	216.006951	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Hac-H"	59.013851
"968824"	223.973251	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+NaCOOH"	66.980151
"117732"	191.962502	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Cl"	69.938804
"561668"	270.459052	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Cl"	69.938804
"1031560"	113.465952	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Cl"	69.938804
"1250046"	235.911985	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Br"	78.918885
"1308115"	237.967972	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+HCOOH"	80.974872
"1324519"	259.949929	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+NaCOOH"	102.956829
"915577"	269.978686	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M-H+CF3COOH"	112.985586
"1291192"	305.955364	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Cl+CF3COOH"	148.962264
"1373727"	121.980424	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H-2H2O"	-35.012676
"1386851"	139.9904	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H-H2O"	-17.0027
"288724"	314.993476	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H"	1.007276
"685519"	471.986576	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H"	1.007276
"1362960"	158.000376	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H"	1.007276
"136942"	158.000376	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2H"	2.014552
"579782"	236.496926	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2H"	2.014552
"1048585"	79.503826	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2H"	2.014552
"216491"	105.669342666667	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+3H"	3.021828
"657145"	158.000376	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+3H"	3.021828
"1173085"	53.3383093333333	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3H"	3.021828
"435994"	332.020023	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+NH4"	18.033823
"797719"	489.013123	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+NH4"	18.033823
"1691498"	175.026923	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4"	18.033823
"341597"	166.5136495	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+NH4"	19.041099
"731102"	245.0101995	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+NH4"	19.041099
"1488202"	88.0170995	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+NH4"	19.041099
"405794"	336.975418	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Na"	22.989218
"764966"	493.968518	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Na"	22.989218
"1614160"	179.982318	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na"	22.989218
"320549"	168.991347	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+Na"	23.996494
"716253"	247.487897	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+Na"	23.996494
"1470073"	90.494797	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+Na"	23.996494
"1063320"	60.6656233333333	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2H+Na"	25.00377
"1268641"	190.026586	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+CH3OH+H"	33.033486
"385766"	352.949358	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+K"	38.963158
"748946"	509.942458	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+K"	38.963158
"1546628"	195.956258	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K"	38.963158
"303805"	176.978317	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+H+K"	39.970434
"697320"	255.474867	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+H+K"	39.970434
"1455146"	98.481767	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+K"	39.970434
"245208"	356.020026	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+ACN+H"	42.033826
"1220103"	199.026926	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+H"	42.033826
"1201799"	100.017101	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+2H"	43.041102
"193578"	358.95736	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Na-H"	44.97116
"631679"	515.95046	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Na-H"	44.97116
"1133361"	201.96426	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Na-H"	44.97116
"178837"	179.982318	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2Na"	45.978436
"615115"	258.478868	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2Na"	45.978436
"1118626"	101.485768	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2Na"	45.978436
"1401052"	67.9929373333333	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+2Na"	46.985712
"1432439"	204.005846	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+HCOOH"	47.012746
"223962"	185.01534	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+3H2O+2H"	56.04448
"1509829"	218.05789	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+IsoProp+H"	61.06479
"410247"	187.969288	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+Na+K"	61.952376
"770308"	266.465838	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+Na+K"	61.952376
"1669396"	109.472738	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+K"	61.952376
"257741"	378.001968	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+ACN+Na"	64.015768
"1231544"	221.008868	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+ACN+Na"	64.015768
"1719341"	221.032393	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4+HCOOH"	64.039293
"1184696"	75.3202513333333	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3Na"	68.967654
"1654590"	225.987788	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+HCOOH"	68.994688
"163639"	390.90524	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2K-H"	76.91904
"604296"	547.89834	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2K-H"	76.91904
"1089901"	233.91214	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K-H"	76.91904
"151094"	195.956258	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"2M+2K"	77.926316
"588467"	274.452808	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"3M+2K"	77.926316
"1074073"	117.459708	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K"	77.926316
"1104001"	235.926692	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2K+H"	78.933592
"1337106"	236.014307	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+DMSO+H"	79.021207
"1011101"	240.053476	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2ACN+H"	83.060376
"1525946"	241.047108	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+IsoProp+Na+H"	84.054008
"996769"	120.530376	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+2ACN+2H"	84.067652
"1590180"	241.961728	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K+HCOOH"	84.968628
"1418027"	271.993238	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+H+CF3COOH"	115.000138
"1148317"	141.043651	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+3ACN+2H"	125.094202
"1703337"	289.019785	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+NH4+CF3COOH"	132.026685
"1642269"	293.97518	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+Na+CF3COOH"	136.98208
"1585576"	309.94912	"C19364"	"1-Chloro-3-nitrobenzene"	"C6H4ClNO2"	"156.9931"	"M+K+CF3COOH"	152.95602
"806101"	142.0298	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M"	0
"979633"	123.01141	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H2O-H"	-19.01839
"76630"	93.6792573333333	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-3H"	-3.021828
"516918"	141.022524	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-3H"	-3.021828
"889618"	46.3359906666667	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-3H"	-3.021828
"7100"	141.022524	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H"	-2.014552
"454682"	212.037424	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H"	-2.014552
"832367"	70.007624	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H"	-2.014552
"93697"	283.052324	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-H"	-1.007276
"525115"	425.082124	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-H"	-1.007276
"907289"	141.022524	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H"	-1.007276
"60571"	300.078871	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H+NH4"	16.019271
"500376"	442.108671	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H+NH4"	16.019271
"874653"	158.049071	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H+NH4"	16.019271
"44012"	305.034266	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H+Na"	20.974666
"485031"	447.064066	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H+Na"	20.974666
"862470"	163.004466	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H+Na"	20.974666
"1621799"	163.004466	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na-2H"	20.974666
"94842"	159.010863	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-H+Cl"	33.962126
"537888"	230.025763	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-H+Cl"	33.962126
"933598"	87.995963	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+Cl"	33.962126
"273250"	319.029002	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Cl"	34.969402
"666763"	461.058802	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+Cl"	34.969402
"1282446"	176.999202	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl"	34.969402
"25001"	321.008206	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M-2H+K"	36.948606
"469303"	463.038006	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M-2H+K"	36.948606
"845646"	178.978406	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-2H+K"	36.948606
"1565850"	178.978406	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K-2H"	36.948606
"957989"	187.027994	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+HCOOH"	44.998194
"375960"	329.057801	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+HCOOH-H"	44.998201
"360226"	343.073451	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Hac-H"	59.013851
"1507478"	201.043651	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Hac-H"	59.013851
"971123"	209.009951	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+NaCOOH"	66.980151
"121122"	176.999202	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2Cl"	69.938804
"561778"	248.014102	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2Cl"	69.938804
"1030577"	105.984302	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2Cl"	69.938804
"1251245"	220.948685	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Br"	78.918885
"1314786"	223.004672	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl+HCOOH"	80.974872
"1330825"	244.986629	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl+NaCOOH"	102.956829
"920791"	255.015386	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M-H+CF3COOH"	112.985586
"1297862"	290.992064	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Cl+CF3COOH"	148.962264
"1373836"	107.017124	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H-2H2O"	-35.012676
"1390240"	125.0271	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H-H2O"	-17.0027
"295029"	285.066876	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H"	1.007276
"685628"	427.096676	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H"	1.007276
"1364530"	143.037076	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H"	1.007276
"137052"	143.037076	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2H"	2.014552
"571146"	214.051976	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2H"	2.014552
"1041040"	72.022176	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2H"	2.014552
"219761"	95.6938093333333	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+3H"	3.021828
"659322"	143.037076	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+3H"	3.021828
"1167726"	48.3505426666667	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+3H"	3.021828
"428080"	302.093423	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+NH4"	18.033823
"789806"	444.123223	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+NH4"	18.033823
"1690512"	160.063623	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+NH4"	18.033823
"336603"	151.5503495	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H+NH4"	19.041099
"730119"	222.5652495	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H+NH4"	19.041099
"1489042"	80.5354495	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+NH4"	19.041099
"398610"	307.048818	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Na"	22.989218
"766535"	449.078618	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+Na"	22.989218
"1610623"	165.019018	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na"	22.989218
"327222"	154.028047	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H+Na"	23.996494
"716361"	225.042947	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H+Na"	23.996494
"1469087"	83.013147	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+Na"	23.996494
"1060146"	55.6778566666667	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2H+Na"	25.00377
"1266198"	175.063286	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+CH3OH+H"	33.033486
"385504"	323.022758	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+K"	38.963158
"745772"	465.052558	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+K"	38.963158
"1553294"	180.992958	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K"	38.963158
"305002"	162.015017	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+H+K"	39.970434
"700705"	233.029917	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+H+K"	39.970434
"1458900"	91.000117	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+K"	39.970434
"244221"	326.093426	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+ACN+H"	42.033826
"1222398"	184.063626	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+ACN+H"	42.033826
"1207376"	92.535451	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+ACN+2H"	43.041102
"199152"	329.03076	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2Na-H"	44.97116
"640901"	471.06056	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2Na-H"	44.97116
"1142218"	187.00096	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2Na-H"	44.97116
"178948"	165.019018	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2Na"	45.978436
"616684"	236.033918	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2Na"	45.978436
"1118367"	94.004118	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2Na"	45.978436
"1400428"	63.0051706666667	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+2Na"	46.985712
"1434733"	189.042546	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+HCOOH"	47.012746
"224068"	170.05204	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+3H2O+2H"	56.04448
"1510303"	203.09459	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+IsoProp+H"	61.06479
"411084"	173.005988	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+Na+K"	61.952376
"773905"	244.020888	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+Na+K"	61.952376
"1672427"	101.991088	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na+K"	61.952376
"257851"	348.075368	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+ACN+Na"	64.015768
"1236030"	206.045568	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+ACN+Na"	64.015768
"1720546"	206.069093	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+NH4+HCOOH"	64.039293
"1185900"	70.3324846666667	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+3Na"	68.967654
"1656887"	211.024488	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na+HCOOH"	68.994688
"171892"	360.97864	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2K-H"	76.91904
"605499"	503.00844	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2K-H"	76.91904
"1094387"	218.94884	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2K-H"	76.91904
"152298"	180.992958	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"2M+2K"	77.926316
"587485"	252.007858	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"3M+2K"	77.926316
"1075277"	109.978058	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2K"	77.926316
"1106298"	220.963392	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2K+H"	78.933592
"1338309"	221.051007	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+DMSO+H"	79.021207
"1006838"	225.090176	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2ACN+H"	83.060376
"1528243"	226.083808	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+IsoProp+Na+H"	84.054008
"993598"	113.048726	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+2ACN+2H"	84.067652
"1592477"	226.998428	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K+HCOOH"	84.968628
"1422514"	257.029938	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+H+CF3COOH"	115.000138
"1153896"	133.562001	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+3ACN+2H"	125.094202
"1704540"	274.056485	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+NH4+CF3COOH"	132.026685
"1641287"	279.01188	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+Na+CF3COOH"	136.98208
"1585685"	294.98582	"C19365"	"4-Chloro-meta-phenylenediamine;4-Chloro-13-benzenediamine"	"C6H7ClN2"	"142.0298"	"M+K+CF3COOH"	152.95602
"806211"	141.0345	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M"	0
"977556"	122.01611	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-H2O-H"	-19.01839
"72367"	93.015724	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M-3H"	-3.021828
"514113"	140.027224	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M-3H"	-3.021828
"895078"	46.004224	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-3H"	-3.021828
"14866"	140.027224	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M-2H"	-2.014552
"455080"	210.544474	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M-2H"	-2.014552
"831994"	69.509974	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-2H"	-2.014552
"92954"	281.061724	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M-H"	-1.007276
"526318"	422.096224	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M-H"	-1.007276
"910928"	140.027224	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-H"	-1.007276
"62815"	298.088271	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M-2H+NH4"	16.019271
"502731"	439.122771	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M-2H+NH4"	16.019271
"879709"	157.053771	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-2H+NH4"	16.019271
"46433"	303.043666	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M-2H+Na"	20.974666
"486968"	444.078166	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M-2H+Na"	20.974666
"863433"	162.009166	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-2H+Na"	20.974666
"1627377"	162.009166	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Na-2H"	20.974666
"100626"	158.015563	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M-H+Cl"	33.962126
"541278"	228.532813	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M-H+Cl"	33.962126
"932611"	87.498313	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-H+Cl"	33.962126
"271168"	317.038402	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+Cl"	34.969402
"664683"	458.072902	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+Cl"	34.969402
"1281459"	176.003902	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Cl"	34.969402
"20733"	319.017606	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M-2H+K"	36.948606
"469045"	460.052106	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M-2H+K"	36.948606
"845390"	177.983106	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-2H+K"	36.948606
"1562680"	177.983106	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+K-2H"	36.948606
"952750"	186.032694	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-H+HCOOH"	44.998194
"375706"	327.067201	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+HCOOH-H"	44.998201
"361064"	341.082851	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+Hac-H"	59.013851
"1508264"	200.048351	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Hac-H"	59.013851
"971234"	208.014651	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-H+NaCOOH"	66.980151
"121962"	176.003902	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+2Cl"	69.938804
"565418"	246.521152	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+2Cl"	69.938804
"1033605"	105.486652	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2Cl"	69.938804
"1253544"	219.953385	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Br"	78.918885
"1318544"	222.009372	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Cl+HCOOH"	80.974872
"1333854"	243.991329	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Cl+NaCOOH"	102.956829
"919808"	254.020086	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M-H+CF3COOH"	112.985586
"1296879"	289.996764	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Cl+CF3COOH"	148.962264
"1378320"	106.021824	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H-2H2O"	-35.012676
"1394723"	124.0318	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H-H2O"	-17.0027
"295139"	283.076276	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+H"	1.007276
"687925"	424.110776	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+H"	1.007276
"1363911"	142.041776	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H"	1.007276
"136069"	142.041776	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+2H"	2.014552
"573444"	212.559026	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+2H"	2.014552
"1048804"	71.524526	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2H"	2.014552
"217438"	95.030276	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+3H"	3.021828
"658096"	142.041776	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+3H"	3.021828
"1172210"	48.018776	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+3H"	3.021828
"430012"	300.102823	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+NH4"	18.033823
"792102"	441.137323	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+NH4"	18.033823
"1690621"	159.068323	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+NH4"	18.033823
"343274"	150.5550495	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+H+NH4"	19.041099
"736424"	221.0722995	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+H+NH4"	19.041099
"1489516"	80.0377995	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H+NH4"	19.041099
"398355"	305.058218	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+Na"	22.989218
"765916"	446.092718	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+Na"	22.989218
"1618301"	164.023718	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Na"	22.989218
"328792"	153.032747	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+H+Na"	23.996494
"716473"	223.549997	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+H+Na"	23.996494
"1469200"	82.515497	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H+Na"	23.996494
"1060257"	55.34609	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2H+Na"	25.00377
"1266308"	174.067986	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+CH3OH+H"	33.033486
"383790"	321.032158	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+K"	38.963158
"749162"	462.066658	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+K"	38.963158
"1553404"	179.997658	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+K"	38.963158
"311679"	161.019717	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+H+K"	39.970434
"700816"	231.536967	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+H+K"	39.970434
"1461075"	90.502467	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H+K"	39.970434
"250894"	324.102826	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+ACN+H"	42.033826
"1221416"	183.068326	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+ACN+H"	42.033826
"1207486"	92.037801	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+ACN+2H"	43.041102
"203151"	327.04016	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+2Na-H"	44.97116
"635545"	468.07466	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+2Na-H"	44.97116
"1137957"	186.00566	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2Na-H"	44.97116
"175782"	164.023718	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+2Na"	45.978436
"619713"	234.540968	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+2Na"	45.978436
"1119938"	93.506468	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2Na"	45.978436
"1401273"	62.673404	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H+2Na"	46.985712
"1433025"	188.047246	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H+HCOOH"	47.012746
"221988"	169.05674	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+3H2O+2H"	56.04448
"1511145"	202.09929	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+IsoProp+H"	61.06479
"416302"	172.010688	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+Na+K"	61.952376
"774382"	242.527938	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+Na+K"	61.952376
"1674724"	101.493438	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Na+K"	61.952376
"256868"	346.084768	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+ACN+Na"	64.015768
"1235050"	205.050268	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+ACN+Na"	64.015768
"1726124"	205.073793	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+NH4+HCOOH"	64.039293
"1192451"	70.000718	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+3Na"	68.967654
"1656997"	210.029188	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Na+HCOOH"	68.994688
"172487"	358.98804	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+2K-H"	76.91904
"605609"	500.02254	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+2K-H"	76.91904
"1098871"	217.95354	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2K-H"	76.91904
"148034"	179.997658	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"2M+2K"	77.926316
"591969"	250.514908	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"3M+2K"	77.926316
"1082554"	109.480408	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2K"	77.926316
"1105316"	219.968092	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2K+H"	78.933592
"1342795"	220.055707	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+DMSO+H"	79.021207
"1013509"	224.094876	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2ACN+H"	83.060376
"1534917"	225.088508	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+IsoProp+Na+H"	84.054008
"994803"	112.551076	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+2ACN+2H"	84.067652
"1594777"	226.003128	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+K+HCOOH"	84.968628
"1421530"	256.034638	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+H+CF3COOH"	115.000138
"1156193"	133.064351	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+3ACN+2H"	125.094202
"1704650"	273.061185	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+NH4+CF3COOH"	132.026685
"1642490"	278.01658	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+Na+CF3COOH"	136.98208
"1585795"	293.99052	"C19366"	"5-Chloro-ortho-toluidine;5-Chloro-o-toluidine"	"C7H8ClN"	"141.0345"	"M+K+CF3COOH"	152.95602
"806321"	117.9797	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M"	0
"975479"	98.96131	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-H2O-H"	-19.01839
"72472"	77.6458573333333	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M-3H"	-3.021828
"515314"	116.972424	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M-3H"	-3.021828
"889838"	38.3192906666667	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-3H"	-3.021828
"12787"	116.972424	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M-2H"	-2.014552
"455146"	175.962274	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M-2H"	-2.014552
"832509"	57.982574	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-2H"	-2.014552
"93796"	234.952124	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M-H"	-1.007276
"533808"	352.931824	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M-H"	-1.007276
"911286"	116.972424	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-H"	-1.007276
"62583"	251.978671	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M-2H+NH4"	16.019271
"502711"	369.958371	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M-2H+NH4"	16.019271
"879716"	133.998971	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-2H+NH4"	16.019271
"46916"	256.934066	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M-2H+Na"	20.974666
"486763"	374.913766	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M-2H+Na"	20.974666
"864030"	138.954366	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-2H+Na"	20.974666
"1626395"	138.954366	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Na-2H"	20.974666
"102924"	134.960763	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M-H+Cl"	33.962126
"537016"	193.950613	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M-H+Cl"	33.962126
"934908"	75.970913	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-H+Cl"	33.962126
"274558"	270.928802	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+Cl"	34.969402
"669166"	388.908502	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+Cl"	34.969402
"1280474"	152.949102	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Cl"	34.969402
"23030"	272.908006	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M-2H+K"	36.948606
"463683"	390.887706	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M-2H+K"	36.948606
"845500"	154.928306	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-2H+K"	36.948606
"1562790"	154.928306	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+K-2H"	36.948606
"952496"	162.977894	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-H+HCOOH"	44.998194
"375816"	280.957601	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+HCOOH-H"	44.998201
"360689"	294.973251	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+Hac-H"	59.013851
"1507696"	176.993551	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Hac-H"	59.013851
"972811"	184.959851	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-H+NaCOOH"	66.980151
"123898"	152.949102	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+2Cl"	69.938804
"564680"	211.938952	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+2Cl"	69.938804
"1034807"	93.959252	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2Cl"	69.938804
"1253654"	196.898585	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Br"	78.918885
"1318654"	198.954572	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Cl+HCOOH"	80.974872
"1331047"	220.936529	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Cl+NaCOOH"	102.956829
"920282"	230.965286	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M-H+CF3COOH"	112.985586
"1301000"	266.941964	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Cl+CF3COOH"	148.962264
"1380618"	82.967024	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H-2H2O"	-35.012676
"1391553"	100.977	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H-H2O"	-17.0027
"290147"	236.966676	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+H"	1.007276
"686941"	354.946376	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+H"	1.007276
"1361104"	118.986976	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H"	1.007276
"135087"	118.986976	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+2H"	2.014552
"575740"	177.976826	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+2H"	2.014552
"1048551"	59.997126	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2H"	2.014552
"217915"	79.6604093333333	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+3H"	3.021828
"656020"	118.986976	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+3H"	3.021828
"1171958"	40.3338426666667	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+3H"	3.021828
"429029"	253.993223	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+NH4"	18.033823
"792213"	371.972923	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+NH4"	18.033823
"1689638"	136.013523	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+NH4"	18.033823
"339013"	127.5002495	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+H+NH4"	19.041099
"732526"	186.4900995	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+H+NH4"	19.041099
"1488169"	68.5103995	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H+NH4"	19.041099
"399559"	258.948618	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+Na"	22.989218
"767485"	376.928318	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+Na"	22.989218
"1617408"	140.968918	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Na"	22.989218
"327442"	129.977947	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+H+Na"	23.996494
"720957"	188.967797	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+H+Na"	23.996494
"1472590"	70.988097	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H+Na"	23.996494
"1061461"	47.6611566666667	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2H+Na"	25.00377
"1263137"	151.013186	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+CH3OH+H"	33.033486
"383900"	274.922558	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+K"	38.963158
"748179"	392.902258	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+K"	38.963158
"1552420"	156.942858	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+K"	38.963158
"311421"	137.964917	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+H+K"	39.970434
"699830"	196.954767	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+H+K"	39.970434
"1459119"	78.975067	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H+K"	39.970434
"250758"	277.993226	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+ACN+H"	42.033826
"1220431"	160.013526	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+ACN+H"	42.033826
"1207593"	80.510401	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+ACN+2H"	43.041102
"202529"	280.93056	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+2Na-H"	44.97116
"638932"	398.91026	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+2Na-H"	44.97116
"1140251"	162.95086	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2Na-H"	44.97116
"176616"	140.968918	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+2Na"	45.978436
"627474"	199.958768	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+2Na"	45.978436
"1118219"	81.979068	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2Na"	45.978436
"1400045"	54.9884706666667	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H+2Na"	46.985712
"1432402"	164.992446	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H+HCOOH"	47.012746
"221005"	146.00194	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+3H2O+2H"	56.04448
"1510162"	179.04449	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+IsoProp+H"	61.06479
"413132"	148.955888	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+Na+K"	61.952376
"772306"	207.945738	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+Na+K"	61.952376
"1674834"	89.966038	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Na+K"	61.952376
"256978"	299.975168	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+ACN+Na"	64.015768
"1239168"	181.995468	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+ACN+Na"	64.015768
"1726234"	182.018993	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+NH4+HCOOH"	64.039293
"1191589"	62.3157846666667	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+3Na"	68.967654
"1659294"	186.974388	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Na+HCOOH"	68.994688
"172476"	312.87844	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+2K-H"	76.91904
"605719"	430.85814	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+2K-H"	76.91904
"1099469"	194.89874	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2K-H"	76.91904
"154705"	156.942858	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"2M+2K"	77.926316
"593172"	215.932708	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"3M+2K"	77.926316
"1079869"	97.953008	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2K"	77.926316
"1106521"	196.913292	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2K+H"	78.933592
"1343998"	197.000907	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+DMSO+H"	79.021207
"1013620"	201.040076	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2ACN+H"	83.060376
"1530653"	202.033708	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+IsoProp+Na+H"	84.054008
"993819"	101.023676	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+2ACN+2H"	84.067652
"1594887"	202.948328	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+K+HCOOH"	84.968628
"1420547"	232.979838	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+H+CF3COOH"	115.000138
"1156303"	121.536951	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+3ACN+2H"	125.094202
"1704760"	250.006385	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+NH4+CF3COOH"	132.026685
"1642600"	254.96178	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+Na+CF3COOH"	136.98208
"1585905"	270.93572	"C19367"	"2-Chloro-111-trifluoroethane"	"C2H2ClF3"	"117.9797"	"M+K+CF3COOH"	152.95602
"806431"	51.9405	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M"	0
"977776"	32.92211	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-H2O-H"	-19.01839
"75863"	33.619724	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M-3H"	-3.021828
"513237"	50.933224	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M-3H"	-3.021828
"887761"	16.306224	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-3H"	-3.021828
"12534"	50.933224	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M-2H"	-2.014552
"448084"	76.903474	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M-2H"	-2.014552
"831357"	24.962974	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-2H"	-2.014552
"91350"	102.873724	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M-H"	-1.007276
"532976"	154.814224	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M-H"	-1.007276
"909563"	50.933224	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-H"	-1.007276
"61143"	119.900271	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M-2H+NH4"	16.019271
"502044"	171.840771	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M-2H+NH4"	16.019271
"877167"	67.959771	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-2H+NH4"	16.019271
"45679"	124.855666	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M-2H+Na"	20.974666
"484996"	176.796166	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M-2H+Na"	20.974666
"863166"	72.915166	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-2H+Na"	20.974666
"1624318"	72.915166	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Na-2H"	20.974666
"103034"	68.921563	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M-H+Cl"	33.962126
"537126"	94.891813	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M-H+Cl"	33.962126
"933924"	42.951313	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-H+Cl"	33.962126
"273573"	138.850402	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+Cl"	34.969402
"663077"	190.790902	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+Cl"	34.969402
"1278397"	86.909902	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Cl"	34.969402
"19860"	140.829606	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M-2H+K"	36.948606
"462700"	192.770106	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M-2H+K"	36.948606
"833208"	88.889106	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-2H+K"	36.948606
"1561807"	88.889106	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+K-2H"	36.948606
"952606"	96.938694	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-H+HCOOH"	44.998194
"372646"	148.879201	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+HCOOH-H"	44.998201
"358858"	162.894851	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+Hac-H"	59.013851
"1507686"	110.954351	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Hac-H"	59.013851
"973163"	118.920651	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-H+NaCOOH"	66.980151
"124740"	86.909902	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+2Cl"	69.938804
"564910"	112.880152	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+2Cl"	69.938804
"1034552"	60.939652	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2Cl"	69.938804
"1254495"	130.859385	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Br"	78.918885
"1318764"	132.915372	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Cl+HCOOH"	80.974872
"1329334"	154.897329	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Cl+NaCOOH"	102.956829
"926105"	164.926086	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M-H+CF3COOH"	112.985586
"1302205"	200.902764	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Cl+CF3COOH"	148.962264
"1378905"	16.927824	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H-2H2O"	-35.012676
"1388384"	34.9378	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H-H2O"	-17.0027
"290257"	104.888276	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+H"	1.007276
"688877"	156.828776	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+H"	1.007276
"1360120"	52.947776	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H"	1.007276
"136290"	52.947776	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+2H"	2.014552
"575850"	78.918026	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+2H"	2.014552
"1047932"	26.977526	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2H"	2.014552
"217296"	35.634276	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+3H"	3.021828
"656859"	52.947776	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+3H"	3.021828
"1171339"	18.320776	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+3H"	3.021828
"429140"	121.914823	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+NH4"	18.033823
"796333"	173.855323	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+NH4"	18.033823
"1690477"	69.974323	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+NH4"	18.033823
"342403"	61.4610495	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+H+NH4"	19.041099
"734824"	87.4312995	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+H+NH4"	19.041099
"1490466"	35.4907995	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H+NH4"	19.041099
"398576"	126.870218	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+Na"	22.989218
"767230"	178.810718	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+Na"	22.989218
"1617762"	74.929718	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Na"	22.989218
"326459"	63.938747	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+H+Na"	23.996494
"715600"	89.908997	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+H+Na"	23.996494
"1471607"	37.968497	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H+Na"	23.996494
"1059384"	25.64809	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2H+Na"	25.00377
"1262154"	84.973986	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+CH3OH+H"	33.033486
"384011"	142.844158	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+K"	38.963158
"748289"	194.784658	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+K"	38.963158
"1551437"	90.903658	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+K"	38.963158
"311895"	71.925717	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+H+K"	39.970434
"696660"	97.895967	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+H+K"	39.970434
"1457043"	45.955467	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H+K"	39.970434
"246738"	145.914826	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+ACN+H"	42.033826
"1218353"	93.974326	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+ACN+H"	42.033826
"1203330"	47.490801	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+ACN+2H"	43.041102
"199480"	148.85216	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+2Na-H"	44.97116
"634668"	200.79266	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+2Na-H"	44.97116
"1134893"	96.91166	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2Na-H"	44.97116
"179278"	74.929718	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+2Na"	45.978436
"617376"	100.899968	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+2Na"	45.978436
"1118694"	48.959468	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2Na"	45.978436
"1400764"	32.975404	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H+2Na"	46.985712
"1431051"	98.953246	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H+HCOOH"	47.012746
"220745"	79.96274	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+3H2O+2H"	56.04448
"1508537"	113.00529	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+IsoProp+H"	61.06479
"408670"	82.916688	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+Na+K"	61.952376
"772052"	108.886938	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+Na+K"	61.952376
"1676038"	56.946438	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Na+K"	61.952376
"257089"	167.896768	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+ACN+Na"	64.015768
"1234906"	115.956268	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+ACN+Na"	64.015768
"1723065"	115.979793	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+NH4+HCOOH"	64.039293
"1191699"	40.302718	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+3Na"	68.967654
"1657218"	120.935188	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Na+HCOOH"	68.994688
"171614"	180.80004	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+2K-H"	76.91904
"611296"	232.74054	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+2K-H"	76.91904
"1099579"	128.85954	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2K-H"	76.91904
"155666"	90.903658	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"2M+2K"	77.926316
"595470"	116.873908	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"3M+2K"	77.926316
"1079979"	64.933408	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2K"	77.926316
"1103713"	130.874092	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2K+H"	78.933592
"1341921"	130.961707	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+DMSO+H"	79.021207
"1011543"	135.000876	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2ACN+H"	83.060376
"1531857"	135.994508	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+IsoProp+Na+H"	84.054008
"993929"	68.004076	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+2ACN+2H"	84.067652
"1594996"	136.909128	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+K+HCOOH"	84.968628
"1418470"	166.940638	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+H+CF3COOH"	115.000138
"1155319"	88.517351	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+3ACN+2H"	125.094202
"1702683"	183.967185	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+NH4+CF3COOH"	132.026685
"1641617"	188.92258	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+Na+CF3COOH"	136.98208
"1586015"	204.89652	"C19368"	"Chromium (III);Chromium (III) ion"	"Cr"	"51.9405"	"M+K+CF3COOH"	152.95602
"806541"	248.0829	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M"	0
"976427"	229.06451	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-H2O-H"	-19.01839
"71599"	164.381324	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M-3H"	-3.021828
"512252"	247.075624	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M-3H"	-3.021828
"885684"	81.687024	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-3H"	-3.021828
"9727"	247.075624	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M-2H"	-2.014552
"443820"	371.117074	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M-2H"	-2.014552
"830499"	123.034174	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-2H"	-2.014552
"90367"	495.158524	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M-H"	-1.007276
"531752"	743.241424	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M-H"	-1.007276
"909555"	247.075624	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-H"	-1.007276
"60891"	512.185071	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M-2H+NH4"	16.019271
"500816"	760.267971	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M-2H+NH4"	16.019271
"875090"	264.102171	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-2H+NH4"	16.019271
"44939"	517.140466	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M-2H+Na"	20.974666
"485106"	765.223366	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M-2H+Na"	20.974666
"864006"	269.057566	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-2H+Na"	20.974666
"1624428"	269.057566	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Na-2H"	20.974666
"103144"	265.063963	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M-H+Cl"	33.962126
"538329"	389.105413	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M-H+Cl"	33.962126
"931846"	141.022513	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-H+Cl"	33.962126
"276963"	531.135202	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+Cl"	34.969402
"661242"	779.218102	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+Cl"	34.969402
"1278507"	283.052302	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Cl"	34.969402
"21063"	533.114406	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M-2H+K"	36.948606
"463903"	781.197306	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M-2H+K"	36.948606
"833560"	285.031506	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-2H+K"	36.948606
"1561917"	285.031506	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+K-2H"	36.948606
"952716"	293.081094	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-H+HCOOH"	44.998194
"372756"	541.164001	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+HCOOH-H"	44.998201
"361029"	555.179651	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+Hac-H"	59.013851
"1508322"	307.096751	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Hac-H"	59.013851
"973960"	315.063051	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-H+NaCOOH"	66.980151
"124486"	283.052302	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+2Cl"	69.938804
"565423"	407.093752	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+2Cl"	69.938804
"1036003"	159.010852	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2Cl"	69.938804
"1256794"	327.001785	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Br"	78.918885
"1317051"	329.057772	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Cl+HCOOH"	80.974872
"1331630"	351.039729	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Cl+NaCOOH"	102.956829
"924877"	361.068486	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M-H+CF3COOH"	112.985586
"1301220"	397.045164	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Cl+CF3COOH"	148.962264
"1375369"	213.070224	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H-2H2O"	-35.012676
"1388494"	231.0802	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H-H2O"	-17.0027
"289274"	497.173076	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+H"	1.007276
"688256"	745.255976	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+H"	1.007276
"1361324"	249.090176	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H"	1.007276
"138223"	249.090176	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+2H"	2.014552
"576690"	373.131626	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+2H"	2.014552
"1045855"	125.048726	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2H"	2.014552
"213757"	166.395876	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+3H"	3.021828
"654414"	249.090176	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+3H"	3.021828
"1173634"	83.701576	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+3H"	3.021828
"427427"	514.199623	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+NH4"	18.033823
"794620"	762.282523	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+NH4"	18.033823
"1690950"	266.116723	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+NH4"	18.033823
"333763"	257.6034495	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+H+NH4"	19.041099
"732744"	381.6448995	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+H+NH4"	19.041099
"1482190"	133.5619995	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H+NH4"	19.041099
"395406"	519.155018	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+Na"	22.989218
"767340"	767.237918	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+Na"	22.989218
"1617630"	271.072118	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Na"	22.989218
"325476"	260.081147	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+H+Na"	23.996494
"718990"	384.122597	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+H+Na"	23.996494
"1469530"	136.039697	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H+Na"	23.996494
"1058401"	91.02889	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2H+Na"	25.00377
"1260078"	281.116386	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+CH3OH+H"	33.033486
"383028"	535.128958	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+K"	38.963158
"746210"	783.211858	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+K"	38.963158
"1551547"	287.046058	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+K"	38.963158
"310912"	268.068117	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+H+K"	39.970434
"698957"	392.109567	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+H+K"	39.970434
"1456059"	144.026667	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H+K"	39.970434
"243567"	538.199626	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+ACN+H"	42.033826
"1217369"	290.116726	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+ACN+H"	42.033826
"1203440"	145.562001	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+ACN+2H"	43.041102
"195217"	541.13696	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+2Na-H"	44.97116
"632225"	789.21986	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+2Na-H"	44.97116
"1135731"	293.05406	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2Na-H"	44.97116
"179388"	271.072118	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+2Na"	45.978436
"615298"	395.113568	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+2Na"	45.978436
"1117709"	147.030668	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2Na"	45.978436
"1401602"	98.356204	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H+2Na"	46.985712
"1431161"	295.095646	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H+HCOOH"	47.012746
"220489"	276.10514	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+3H2O+2H"	56.04448
"1508794"	309.14769	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+IsoProp+H"	61.06479
"408804"	279.059088	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+Na+K"	61.952376
"772157"	403.100538	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+Na+K"	61.952376
"1672868"	155.017638	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Na+K"	61.952376
"257199"	560.181568	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+ACN+Na"	64.015768
"1231002"	312.098668	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+ACN+Na"	64.015768
"1716606"	312.122193	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+NH4+HCOOH"	64.039293
"1186341"	105.683518	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+3Na"	68.967654
"1657692"	317.077588	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Na+HCOOH"	68.994688
"169658"	573.08484	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+2K-H"	76.91904
"611163"	821.16774	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+2K-H"	76.91904
"1095919"	325.00194	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2K-H"	76.91904
"150550"	287.046058	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"2M+2K"	77.926316
"594485"	411.087508	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"3M+2K"	77.926316
"1076808"	163.004608	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2K"	77.926316
"1106740"	327.016492	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2K+H"	78.933592
"1340938"	327.104107	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+DMSO+H"	79.021207
"1009466"	331.143276	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2ACN+H"	83.060376
"1530874"	332.136908	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+IsoProp+Na+H"	84.054008
"991853"	166.075276	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+2ACN+2H"	84.067652
"1595106"	333.051528	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+K+HCOOH"	84.968628
"1420767"	363.083038	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+H+CF3COOH"	115.000138
"1154336"	186.588551	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+3ACN+2H"	125.094202
"1702793"	380.109585	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+NH4+CF3COOH"	132.026685
"1642820"	385.06498	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+Na+CF3COOH"	136.98208
"1586125"	401.03892	"C19369"	"Chrysoidine"	"C12H12N4HCl"	"248.0829"	"M+K+CF3COOH"	152.95602
"813214"	452.0403	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M"	0
"982375"	433.02191	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-H2O-H"	-19.01839
"71710"	300.352924	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M-3H"	-3.021828
"509085"	451.033024	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M-3H"	-3.021828
"881419"	149.672824	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-3H"	-3.021828
"8741"	451.033024	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M-2H"	-2.014552
"446116"	677.053174	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M-2H"	-2.014552
"831822"	225.012874	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-2H"	-2.014552
"93030"	903.073324	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M-H"	-1.007276
"528947"	1355.113624	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M-H"	-1.007276
"906749"	451.033024	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-H"	-1.007276
"60029"	920.099871	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M-2H+NH4"	16.019271
"500925"	1372.140171	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M-2H+NH4"	16.019271
"878611"	468.059571	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-2H+NH4"	16.019271
"45902"	925.055266	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M-2H+Na"	20.974666
"486188"	1377.095566	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M-2H+Na"	20.974666
"862533"	473.014966	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-2H+Na"	20.974666
"1623445"	473.014966	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Na-2H"	20.974666
"103254"	469.021363	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M-H+Cl"	33.962126
"543906"	695.041513	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M-H+Cl"	33.962126
"935240"	243.001213	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-H+Cl"	33.962126
"273796"	939.050002	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+Cl"	34.969402
"667309"	1391.090302	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+Cl"	34.969402
"1278619"	487.009702	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Cl"	34.969402
"20080"	941.029206	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M-2H+K"	36.948606
"461827"	1393.069506	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M-2H+K"	36.948606
"834158"	488.988906	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-2H+K"	36.948606
"1568596"	488.988906	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+K-2H"	36.948606
"957939"	497.038494	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-H+HCOOH"	44.998194
"376728"	949.078801	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+HCOOH-H"	44.998201
"360047"	963.094451	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+Hac-H"	59.013851
"1507297"	511.054151	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Hac-H"	59.013851
"973622"	519.020451	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-H+NaCOOH"	66.980151
"124595"	487.009702	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+2Cl"	69.938804
"563790"	713.029852	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+2Cl"	69.938804
"1031126"	260.989552	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2Cl"	69.938804
"1251798"	530.959185	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Br"	78.918885
"1310966"	533.015172	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Cl+HCOOH"	80.974872
"1328461"	554.997129	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Cl+NaCOOH"	102.956829
"921706"	565.025886	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M-H+CF3COOH"	112.985586
"1299506"	601.002564	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Cl+CF3COOH"	148.962264
"1376574"	417.027624	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H-2H2O"	-35.012676
"1391884"	435.0376	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H-H2O"	-17.0027
"288292"	905.087876	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+H"	1.007276
"680714"	1357.128176	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+H"	1.007276
"1359249"	453.047576	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H"	1.007276
"139065"	453.047576	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+2H"	2.014552
"577530"	679.067726	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+2H"	2.014552
"1050706"	227.027426	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2H"	2.014552
"212776"	302.367476	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+3H"	3.021828
"654524"	453.047576	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+3H"	3.021828
"1163902"	151.687376	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+3H"	3.021828
"428269"	922.114423	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+NH4"	18.033823
"789263"	1374.154723	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+NH4"	18.033823
"1685595"	470.074123	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+NH4"	18.033823
"332050"	461.5608495	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+H+NH4"	19.041099
"724472"	687.5809995	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+H+NH4"	19.041099
"1479750"	235.5406995	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H+NH4"	19.041099
"399891"	927.069818	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+Na"	22.989218
"767450"	1379.110118	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+Na"	22.989218
"1614454"	475.029518	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Na"	22.989218
"327410"	464.038547	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+H+Na"	23.996494
"715820"	690.058697	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+H+Na"	23.996494
"1471828"	238.018397	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H+Na"	23.996494
"1057417"	159.01469	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2H+Na"	25.00377
"1264564"	485.073786	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+CH3OH+H"	33.033486
"387514"	943.043758	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+K"	38.963158
"747416"	1395.084058	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+K"	38.963158
"1550565"	491.003458	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+K"	38.963158
"308835"	472.025517	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+H+K"	39.970434
"702349"	698.045667	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+H+K"	39.970434
"1457263"	246.005367	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H+K"	39.970434
"244770"	946.114426	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+ACN+H"	42.033826
"1220762"	494.074126	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+ACN+H"	42.033826
"1204645"	247.540701	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+ACN+2H"	43.041102
"192777"	949.05176	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+2Na-H"	44.97116
"633431"	1401.09206	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+2Na-H"	44.97116
"1136203"	497.01146	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2Na-H"	44.97116
"176577"	475.029518	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+2Na"	45.978436
"615045"	701.049668	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+2Na"	45.978436
"1118183"	249.009368	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2Na"	45.978436
"1402071"	166.342004	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H+2Na"	46.985712
"1434186"	499.053046	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H+HCOOH"	47.012746
"222060"	480.06254	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+3H2O+2H"	56.04448
"1510850"	513.10509	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+IsoProp+H"	61.06479
"409806"	483.016488	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+Na+K"	61.952376
"771170"	709.036638	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+Na+K"	61.952376
"1669329"	256.996338	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Na+K"	61.952376
"258404"	968.096368	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+ACN+Na"	64.015768
"1232209"	516.056068	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+ACN+Na"	64.015768
"1723284"	516.079593	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+NH4+HCOOH"	64.039293
"1185357"	173.669318	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+3Na"	68.967654
"1656344"	521.034988	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Na+HCOOH"	68.994688
"172572"	980.99964	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+2K-H"	76.91904
"611518"	1433.03994	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+2K-H"	76.91904
"1096030"	528.95934	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2K-H"	76.91904
"150660"	491.003458	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"2M+2K"	77.926316
"592407"	717.023608	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"3M+2K"	77.926316
"1082144"	264.983308	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2K"	77.926316
"1105757"	530.973892	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2K+H"	78.933592
"1346515"	531.061507	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+DMSO+H"	79.021207
"1008484"	535.100676	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2ACN+H"	83.060376
"1533171"	536.094308	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+IsoProp+Na+H"	84.054008
"992693"	268.053976	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+2ACN+2H"	84.067652
"1590843"	537.008928	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+K+HCOOH"	84.968628
"1418689"	567.040438	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+H+CF3COOH"	115.000138
"1150071"	288.567251	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+3ACN+2H"	125.094202
"1700719"	584.066985	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+NH4+CF3COOH"	132.026685
"1646213"	589.02238	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+Na+CF3COOH"	136.98208
"1586236"	604.99632	"C19370"	"CI Acid Orange 3;CI Acid Orange 3;2-Anilino-5-(24-dinitroanilino)-benzenesulfonic acid"	"C18H13N4O7SNa"	"452.0403"	"M+K+CF3COOH"	152.95602
"815510"	350.0337	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M"	0
"982482"	331.01531	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-H2O-H"	-19.01839
"72913"	232.348524	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M-3H"	-3.021828
"511381"	349.026424	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M-3H"	-3.021828
"885903"	115.670624	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-3H"	-3.021828
"8851"	349.026424	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M-2H"	-2.014552
"447319"	524.043274	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M-2H"	-2.014552
"832621"	174.009574	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-2H"	-2.014552
"92776"	699.060124	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M-H"	-1.007276
"530151"	1049.093824	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M-H"	-1.007276
"909044"	349.026424	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-H"	-1.007276
"61960"	716.086671	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M-2H+NH4"	16.019271
"502581"	1066.120371	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M-2H+NH4"	16.019271
"879208"	366.052971	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-2H+NH4"	16.019271
"46661"	721.042066	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M-2H+Na"	20.974666
"486670"	1071.075766	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M-2H+Na"	20.974666
"863580"	371.008366	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-2H+Na"	20.974666
"1624648"	371.008366	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Na-2H"	20.974666
"103364"	367.014763	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M-H+Cl"	33.962126
"544016"	542.031613	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M-H+Cl"	33.962126
"935346"	191.997913	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-H+Cl"	33.962126
"271715"	735.036802	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+Cl"	34.969402
"667418"	1085.070502	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+Cl"	34.969402
"1280915"	385.003102	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Cl"	34.969402
"20190"	737.016006	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M-2H+K"	36.948606
"461937"	1087.049706	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M-2H+K"	36.948606
"835361"	386.982306	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-2H+K"	36.948606
"1570408"	386.982306	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+K-2H"	36.948606
"956956"	395.031894	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-H+HCOOH"	44.998194
"376868"	745.065601	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+HCOOH-H"	44.998201
"361130"	759.081251	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+Hac-H"	59.013851
"1508016"	409.047551	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Hac-H"	59.013851
"973854"	417.013851	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-H+NaCOOH"	66.980151
"124464"	385.003102	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+2Cl"	69.938804
"564631"	560.019952	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+2Cl"	69.938804
"1034153"	209.986252	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2Cl"	69.938804
"1252273"	428.952585	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Br"	78.918885
"1313991"	431.008572	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Cl+HCOOH"	80.974872
"1328207"	452.990529	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Cl+NaCOOH"	102.956829
"921452"	463.019286	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M-H+CF3COOH"	112.985586
"1298523"	498.995964	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Cl+CF3COOH"	148.962264
"1372310"	315.021024	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H-2H2O"	-35.012676
"1389808"	333.031	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H-H2O"	-17.0027
"287309"	701.074676	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+H"	1.007276
"677544"	1051.108376	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+H"	1.007276
"1360090"	351.040976	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H"	1.007276
"139904"	351.040976	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+2H"	2.014552
"574360"	526.057826	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+2H"	2.014552
"1049723"	176.024126	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2H"	2.014552
"212886"	234.363076	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+3H"	3.021828
"651354"	351.040976	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+3H"	3.021828
"1165106"	117.685176	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+3H"	3.021828
"428379"	718.101223	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+NH4"	18.033823
"789373"	1068.134923	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+NH4"	18.033823
"1683153"	368.067523	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+NH4"	18.033823
"331797"	359.5542495	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+H+NH4"	19.041099
"724460"	534.5710995	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+H+NH4"	19.041099
"1479132"	184.5373995	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H+NH4"	19.041099
"402187"	723.056618	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+Na"	22.989218
"766466"	1073.090318	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+Na"	22.989218
"1614564"	373.022918	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Na"	22.989218
"327520"	362.031947	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+H+Na"	23.996494
"715930"	537.048797	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+H+Na"	23.996494
"1468657"	187.015097	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H+Na"	23.996494
"1055341"	125.01249	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2H+Na"	25.00377
"1261394"	383.067186	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+CH3OH+H"	33.033486
"384342"	739.030558	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+K"	38.963158
"745337"	1089.064258	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+K"	38.963158
"1545205"	388.996858	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+K"	38.963158
"303475"	370.018917	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+H+K"	39.970434
"695897"	545.035767	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+H+K"	39.970434
"1455185"	195.002067	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H+K"	39.970434
"247069"	742.101226	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+ACN+H"	42.033826
"1224153"	392.067526	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+ACN+H"	42.033826
"1206944"	196.537401	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+ACN+2H"	43.041102
"192157"	745.03856	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+2Na-H"	44.97116
"633177"	1095.07226	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+2Na-H"	44.97116
"1136678"	395.00486	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2Na-H"	44.97116
"175958"	373.022918	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+2Na"	45.978436
"614423"	548.039768	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+2Na"	45.978436
"1117080"	198.006068	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2Na"	45.978436
"1400725"	132.339804	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H+2Na"	46.985712
"1431014"	397.046446	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H+HCOOH"	47.012746
"223634"	378.05594	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+3H2O+2H"	56.04448
"1509869"	411.09849	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+IsoProp+H"	61.06479
"409918"	381.009888	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+Na+K"	61.952376
"771645"	556.026738	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+Na+K"	61.952376
"1669803"	205.993038	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Na+K"	61.952376
"261795"	764.083168	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+ACN+Na"	64.015768
"1236690"	414.049468	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+ACN+Na"	64.015768
"1724487"	414.072993	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+NH4+HCOOH"	64.039293
"1188747"	139.667118	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+3Na"	68.967654
"1657547"	419.028388	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Na+HCOOH"	68.994688
"168785"	776.98644	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+2K-H"	76.91904
"612361"	1127.02014	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+2K-H"	76.91904
"1093953"	426.95274	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2K-H"	76.91904
"151863"	388.996858	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"2M+2K"	77.926316
"592517"	564.013708	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"3M+2K"	77.926316
"1083347"	213.980008	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2K"	77.926316
"1106961"	428.967292	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2K+H"	78.933592
"1345532"	429.054907	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+DMSO+H"	79.021207
"1011874"	433.094076	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2ACN+H"	83.060376
"1532187"	434.087708	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+IsoProp+Na+H"	84.054008
"993168"	217.050676	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+2ACN+2H"	84.067652
"1595326"	435.002328	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+K+HCOOH"	84.968628
"1419893"	465.033838	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+H+CF3COOH"	115.000138
"1150181"	237.563951	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+3ACN+2H"	125.094202
"1701922"	482.060385	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+NH4+CF3COOH"	132.026685
"1647416"	487.01578	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+Na+CF3COOH"	136.98208
"1586346"	502.98972	"C19371"	"CI Acid Orange 20;CI Acid Orange 20"	"C16H11N2O4SNa"	"350.0337"	"M+K+CF3COOH"	152.95602
"812340"	451.9725	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M"	0
"982592"	432.95411	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-H2O-H"	-19.01839
"71930"	300.307724	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M-3H"	-3.021828
"510398"	450.965224	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M-3H"	-3.021828
"889295"	149.650224	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-3H"	-3.021828
"5682"	450.965224	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H"	-2.014552
"449618"	676.951474	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H"	-2.014552
"831432"	224.978974	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-2H"	-2.014552
"91792"	902.937724	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M-H"	-1.007276
"526981"	1354.910224	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M-H"	-1.007276
"908426"	450.965224	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-H"	-1.007276
"60246"	919.964271	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H+NH4"	16.019271
"501633"	1371.936771	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H+NH4"	16.019271
"879434"	467.991771	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-2H+NH4"	16.019271
"45876"	924.919666	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H+Na"	20.974666
"486410"	1376.892166	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H+Na"	20.974666
"863364"	472.947166	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-2H+Na"	20.974666
"1624758"	472.947166	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Na-2H"	20.974666
"100194"	468.953563	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M-H+Cl"	33.962126
"543034"	694.939813	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M-H+Cl"	33.962126
"932175"	242.967313	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-H+Cl"	33.962126
"271825"	938.914402	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+Cl"	34.969402
"661331"	1390.886902	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+Cl"	34.969402
"1275557"	486.941902	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl"	34.969402
"23582"	940.893606	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H+K"	36.948606
"456331"	1392.866106	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H+K"	36.948606
"834498"	488.921106	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-2H+K"	36.948606
"1571200"	488.921106	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+K-2H"	36.948606
"958280"	496.970694	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-H+HCOOH"	44.998194
"376023"	948.943201	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+HCOOH-H"	44.998201
"360511"	962.958851	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+Hac-H"	59.013851
"1507888"	510.986351	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Hac-H"	59.013851
"973234"	518.952651	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-H+NaCOOH"	66.980151
"124693"	486.941902	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+2Cl"	69.938804
"564496"	712.928152	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+2Cl"	69.938804
"1034627"	260.955652	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2Cl"	69.938804
"1249831"	530.891385	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Br"	78.918885
"1313372"	532.947372	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl+HCOOH"	80.974872
"1328681"	554.929329	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl+NaCOOH"	102.956829
"920833"	564.958086	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M-H+CF3COOH"	112.985586
"1299360"	600.934764	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl+CF3COOH"	148.962264
"1372421"	416.959824	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H-2H2O"	-35.012676
"1389917"	434.9698	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H-H2O"	-17.0027
"289605"	904.952276	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+H"	1.007276
"679840"	1356.924776	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+H"	1.007276
"1363115"	452.979776	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H"	1.007276
"138190"	452.979776	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+2H"	2.014552
"574834"	678.966026	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+2H"	2.014552
"1050562"	226.993526	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2H"	2.014552
"209716"	302.322276	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+3H"	3.021828
"654744"	452.979776	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+3H"	3.021828
"1165216"	151.664776	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+3H"	3.021828
"430676"	921.978823	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+NH4"	18.033823
"786203"	1373.951323	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+NH4"	18.033823
"1682535"	470.006323	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+NH4"	18.033823
"330935"	461.4930495	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+H+NH4"	19.041099
"724328"	687.4792995	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+H+NH4"	19.041099
"1482522"	235.5067995	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H+NH4"	19.041099
"402297"	926.934218	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+Na"	22.989218
"765483"	1378.906718	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+Na"	22.989218
"1614674"	474.961718	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Na"	22.989218
"322526"	463.970747	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+H+Na"	23.996494
"713853"	689.956997	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+H+Na"	23.996494
"1466214"	237.984497	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H+Na"	23.996494
"1053992"	158.99209	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2H+Na"	25.00377
"1261504"	485.005986	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+CH3OH+H"	33.033486
"382265"	942.908158	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+K"	38.963158
"744353"	1394.880658	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+K"	38.963158
"1546407"	490.935658	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+K"	38.963158
"303585"	471.957717	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+H+K"	39.970434
"693819"	697.943967	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+H+K"	39.970434
"1453109"	245.971467	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H+K"	39.970434
"243900"	945.978826	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+ACN+H"	42.033826
"1220983"	494.006326	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+ACN+H"	42.033826
"1205959"	247.506801	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+ACN+2H"	43.041102
"190446"	948.91616	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+2Na-H"	44.97116
"633287"	1400.88866	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+2Na-H"	44.97116
"1133871"	496.94366	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2Na-H"	44.97116
"176799"	474.961718	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+2Na"	45.978436
"614532"	700.947968	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+2Na"	45.978436
"1116579"	248.975468	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2Na"	45.978436
"1399129"	166.319404	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H+2Na"	46.985712
"1430880"	498.985246	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H+HCOOH"	47.012746
"221674"	479.99474	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+3H2O+2H"	56.04448
"1509371"	513.03729	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+IsoProp+H"	61.06479
"409057"	482.948688	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+Na+K"	61.952376
"771390"	708.934938	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+Na+K"	61.952376
"1668821"	256.962438	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Na+K"	61.952376
"261905"	967.960768	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+ACN+Na"	64.015768
"1238987"	515.988268	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+ACN+Na"	64.015768
"1724597"	516.011793	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+NH4+HCOOH"	64.039293
"1188857"	173.646718	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+3Na"	68.967654
"1662031"	520.967188	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Na+HCOOH"	68.994688
"168895"	980.86404	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+2K-H"	76.91904
"609551"	1432.83654	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+2K-H"	76.91904
"1096249"	528.89154	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2K-H"	76.91904
"149785"	490.935658	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"2M+2K"	77.926316
"592627"	716.921908	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"3M+2K"	77.926316
"1082606"	264.949408	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2K"	77.926316
"1105978"	530.906092	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2K+H"	78.933592
"1341267"	530.993707	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+DMSO+H"	79.021207
"1010890"	535.032876	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2ACN+H"	83.060376
"1527921"	536.026508	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+IsoProp+Na+H"	84.054008
"995462"	268.020076	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+2ACN+2H"	84.067652
"1593249"	536.941128	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+K+HCOOH"	84.968628
"1420003"	566.972638	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+H+CF3COOH"	115.000138
"1150291"	288.533351	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+3ACN+2H"	125.094202
"1702032"	583.999185	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+NH4+CF3COOH"	132.026685
"1647526"	588.95458	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+Na+CF3COOH"	136.98208
"1586456"	604.92852	"C19372"	"CI Orange G;CI Orange G"	"C16H10N2O7S22Na"	"451.9725"	"M+K+CF3COOH"	152.95602
"812450"	307.0957	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M"	0
"987077"	288.07731	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-H2O-H"	-19.01839
"67666"	203.723190666667	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M-3H"	-3.021828
"508323"	306.088424	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M-3H"	-3.021828
"887219"	101.357957333333	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-3H"	-3.021828
"4699"	306.088424	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M-2H"	-2.014552
"454468"	459.636274	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M-2H"	-2.014552
"828626"	152.540574	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-2H"	-2.014552
"91901"	613.184124	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M-H"	-1.007276
"527091"	920.279824	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M-H"	-1.007276
"907078"	306.088424	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-H"	-1.007276
"60356"	630.210671	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M-2H+NH4"	16.019271
"501013"	937.306371	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M-2H+NH4"	16.019271
"875902"	323.114971	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-2H+NH4"	16.019271
"44532"	635.166066	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M-2H+Na"	20.974666
"484701"	942.261766	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M-2H+Na"	20.974666
"860801"	328.070366	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-2H+Na"	20.974666
"1622681"	328.070366	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Na-2H"	20.974666
"100305"	324.076763	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M-H+Cl"	33.962126
"543145"	477.624613	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M-H+Cl"	33.962126
"932286"	170.528913	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-H+Cl"	33.962126
"269748"	649.160802	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+Cl"	34.969402
"661562"	956.256502	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+Cl"	34.969402
"1274695"	342.065102	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Cl"	34.969402
"20412"	651.140006	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M-2H+K"	36.948606
"456563"	958.235706	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M-2H+K"	36.948606
"833880"	344.044306	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-2H+K"	36.948606
"1571075"	344.044306	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+K-2H"	36.948606
"958141"	352.093894	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-H+HCOOH"	44.998194
"376482"	659.189601	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+HCOOH-H"	44.998201
"359998"	673.205251	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+Hac-H"	59.013851
"1506894"	366.109551	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Hac-H"	59.013851
"973464"	374.075851	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-H+NaCOOH"	66.980151
"123829"	342.065102	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+2Cl"	69.938804
"563754"	495.612952	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+2Cl"	69.938804
"1033281"	188.517252	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2Cl"	69.938804
"1252856"	386.014585	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Br"	78.918885
"1312389"	388.070572	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Cl+HCOOH"	80.974872
"1325512"	410.052529	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Cl+NaCOOH"	102.956829
"920943"	420.081286	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M-H+CF3COOH"	112.985586
"1296554"	456.057964	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Cl+CF3COOH"	148.962264
"1375811"	272.083024	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H-2H2O"	-35.012676
"1393307"	290.093	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H-H2O"	-17.0027
"291901"	615.198676	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+H"	1.007276
"682136"	922.294376	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+H"	1.007276
"1360308"	308.102976	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H"	1.007276
"136478"	308.102976	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+2H"	2.014552
"575311"	461.650826	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+2H"	2.014552
"1048121"	154.555126	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2H"	2.014552
"210920"	205.737742666667	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+3H"	3.021828
"654126"	308.102976	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+3H"	3.021828
"1167513"	103.372509333333	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+3H"	3.021828
"424668"	632.225223	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+NH4"	18.033823
"786313"	939.320923	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+NH4"	18.033823
"1681586"	325.129523	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+NH4"	18.033823
"332017"	316.6162495	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+H+NH4"	19.041099
"724802"	470.1640995	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+H+NH4"	19.041099
"1482632"	163.0683995	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H+NH4"	19.041099
"402407"	637.180618	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+Na"	22.989218
"764498"	944.276318	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+Na"	22.989218
"1613690"	330.084918	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Na"	22.989218
"322632"	319.093947	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+H+Na"	23.996494
"709952"	472.641797	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+H+Na"	23.996494
"1462677"	165.546097	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H+Na"	23.996494
"1053735"	110.699823333333	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2H+Na"	25.00377
"1258087"	340.129186	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+CH3OH+H"	33.033486
"380185"	653.154558	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+K"	38.963158
"744468"	960.250258	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+K"	38.963158
"1542509"	346.058858	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+K"	38.963158
"304791"	327.080917	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+H+K"	39.970434
"699399"	480.628767	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+H+K"	39.970434
"1455406"	173.533067	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H+K"	39.970434
"246197"	656.225226	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+ACN+H"	42.033826
"1222187"	349.129526	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+ACN+H"	42.033826
"1204614"	175.068401	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+ACN+2H"	43.041102
"193472"	659.16256	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+2Na-H"	44.97116
"629752"	966.25826	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+2Na-H"	44.97116
"1136535"	352.06686	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2Na-H"	44.97116
"178732"	330.084918	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+2Na"	45.978436
"616469"	483.632768	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+2Na"	45.978436
"1118516"	176.537068	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2Na"	45.978436
"1399849"	118.027137333333	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H+2Na"	46.985712
"1431967"	354.108446	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H+HCOOH"	47.012746
"222026"	335.11794	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+3H2O+2H"	56.04448
"1510455"	368.16049	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+IsoProp+H"	61.06479
"410870"	338.071888	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+Na+K"	61.952376
"771872"	491.619738	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+Na+K"	61.952376
"1666380"	184.524038	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Na+K"	61.952376
"261288"	678.207168	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+ACN+Na"	64.015768
"1237640"	371.111468	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+ACN+Na"	64.015768
"1725677"	371.134993	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+NH4+HCOOH"	64.039293
"1190793"	125.354451333333	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+3Na"	68.967654
"1658860"	376.090388	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Na+HCOOH"	68.994688
"166817"	691.11044	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+2K-H"	76.91904
"604195"	998.20614	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+2K-H"	76.91904
"1095267"	384.01474	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2K-H"	76.91904
"154271"	346.058858	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"2M+2K"	77.926316
"590552"	499.606708	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"3M+2K"	77.926316
"1076157"	192.511008	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2K"	77.926316
"1100982"	386.029292	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2K+H"	78.933592
"1336150"	386.116907	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+DMSO+H"	79.021207
"1007718"	390.156076	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2ACN+H"	83.060376
"1526205"	391.149708	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+IsoProp+Na+H"	84.054008
"991559"	195.581676	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+2ACN+2H"	84.067652
"1587890"	392.064328	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+K+HCOOH"	84.968628
"1415739"	422.095838	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+H+CF3COOH"	115.000138
"1149307"	216.094951	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+3ACN+2H"	125.094202
"1698617"	439.122385	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+NH4+CF3COOH"	132.026685
"1638888"	444.07778	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+Na+CF3COOH"	136.98208
"1586566"	460.05172	"C19373"	"CI Pigment Red 3;CI Pigment Red 3"	"C17H13N3O3"	"307.0957"	"M+K+CF3COOH"	152.95602
"815478"	253.1103	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M"	0
"989254"	234.09191	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-H2O-H"	-19.01839
"69965"	167.732924	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M-3H"	-3.021828
"513901"	252.103024	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M-3H"	-3.021828
"888423"	83.362824	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-3H"	-3.021828
"11371"	252.103024	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M-2H"	-2.014552
"451663"	378.658174	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M-2H"	-2.014552
"827647"	125.547874	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-2H"	-2.014552
"90919"	505.213324	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M-H"	-1.007276
"522827"	758.323624	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M-H"	-1.007276
"901722"	252.103024	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-H"	-1.007276
"53908"	522.239871	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M-2H+NH4"	16.019271
"494563"	775.350171	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M-2H+NH4"	16.019271
"874551"	269.129571	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-2H+NH4"	16.019271
"43548"	527.195266	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M-2H+Na"	20.974666
"484203"	780.305566	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M-2H+Na"	20.974666
"860182"	274.084966	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-2H+Na"	20.974666
"1626068"	274.084966	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Na-2H"	20.974666
"104784"	270.091363	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M-H+Cl"	33.962126
"545438"	396.646513	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M-H+Cl"	33.962126
"931303"	143.536213	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-H+Cl"	33.962126
"268765"	541.190002	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+Cl"	34.969402
"660210"	794.300302	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+Cl"	34.969402
"1280153"	288.079702	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Cl"	34.969402
"24896"	543.169206	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M-2H+K"	36.948606
"456309"	796.279506	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M-2H+K"	36.948606
"832890"	290.058906	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-2H+K"	36.948606
"1569762"	290.058906	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+K-2H"	36.948606
"957849"	298.108494	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-H+HCOOH"	44.998194
"376470"	551.218801	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+HCOOH-H"	44.998201
"359379"	565.234451	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+Hac-H"	59.013851
"1506760"	312.124151	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Hac-H"	59.013851
"970658"	320.090451	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-H+NaCOOH"	66.980151
"123940"	288.079702	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+2Cl"	69.938804
"558396"	414.634852	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+2Cl"	69.938804
"1033755"	161.524552	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2Cl"	69.938804
"1256250"	332.029185	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Br"	78.918885
"1313596"	334.085172	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Cl+HCOOH"	80.974872
"1332183"	356.067129	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Cl+NaCOOH"	102.956829
"924333"	366.095886	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M-H+CF3COOH"	112.985586
"1302135"	402.072564	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Cl+CF3COOH"	148.962264
"1380660"	218.097624	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H-2H2O"	-35.012676
"1393418"	236.1076	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H-H2O"	-17.0027
"288731"	507.227876	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+H"	1.007276
"682247"	760.338176	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+H"	1.007276
"1363336"	254.117576	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H"	1.007276
"137682"	254.117576	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+2H"	2.014552
"573232"	380.672726	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+2H"	2.014552
"1049324"	127.562426	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2H"	2.014552
"216135"	169.747476	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+3H"	3.021828
"654237"	254.117576	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+3H"	3.021828
"1172728"	85.377376	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+3H"	3.021828
"425670"	524.254423	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+NH4"	18.033823
"789703"	777.364723	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+NH4"	18.033823
"1687128"	271.144123	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+NH4"	18.033823
"334315"	262.6308495	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+H+NH4"	19.041099
"724913"	389.1859995	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+H+NH4"	19.041099
"1482742"	136.0756995	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H+NH4"	19.041099
"402517"	529.209818	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+Na"	22.989218
"765702"	782.320118	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+Na"	22.989218
"1612707"	276.099518	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Na"	22.989218
"321651"	265.108547	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+H+Na"	23.996494
"712979"	391.663697	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+H+Na"	23.996494
"1465704"	138.553397	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H+Na"	23.996494
"1055671"	92.70469	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2H+Na"	25.00377
"1261722"	286.143786	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+CH3OH+H"	33.033486
"380300"	545.183758	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+K"	38.963158
"743484"	798.294058	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+K"	38.963158
"1543350"	292.073458	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+K"	38.963158
"300161"	273.095517	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+H+K"	39.970434
"700603"	399.650667	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+H+K"	39.970434
"1459407"	146.540367	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H+K"	39.970434
"244120"	548.254426	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+ACN+H"	42.033826
"1221572"	295.144126	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+ACN+H"	42.033826
"1204727"	148.075701	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+ACN+2H"	43.041102
"196861"	551.19176	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+2Na-H"	44.97116
"632413"	804.30206	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+2Na-H"	44.97116
"1135554"	298.08146	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2Na-H"	44.97116
"176657"	276.099518	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+2Na"	45.978436
"614515"	402.654668	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+2Na"	45.978436
"1117537"	149.544368	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2Na"	45.978436
"1399353"	100.032004	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H+2Na"	46.985712
"1431111"	300.123046	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H+HCOOH"	47.012746
"220804"	281.13254	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+3H2O+2H"	56.04448
"1510206"	314.17509	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+IsoProp+H"	61.06479
"408878"	284.086488	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+Na+K"	61.952376
"770888"	410.641638	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+Na+K"	61.952376
"1676336"	157.531338	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Na+K"	61.952376
"263584"	570.236368	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+ACN+Na"	64.015768
"1238120"	317.126068	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+ACN+Na"	64.015768
"1725546"	317.149593	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+NH4+HCOOH"	64.039293
"1191996"	107.359318	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+3Na"	68.967654
"1663346"	322.104988	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Na+HCOOH"	68.994688
"168020"	583.13964	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+2K-H"	76.91904
"603212"	836.24994	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+2K-H"	76.91904
"1099147"	330.02934	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2K-H"	76.91904
"151101"	292.073458	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"2M+2K"	77.926316
"590661"	418.628608	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"3M+2K"	77.926316
"1078455"	165.518308	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2K"	77.926316
"1104010"	332.043892	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2K+H"	78.933592
"1338571"	332.131507	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+DMSO+H"	79.021207
"1007462"	336.170676	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2ACN+H"	83.060376
"1528138"	337.164308	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+IsoProp+Na+H"	84.054008
"990945"	168.588976	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+2ACN+2H"	84.067652
"1591284"	338.078928	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+K+HCOOH"	84.968628
"1415848"	368.110438	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+H+CF3COOH"	115.000138
"1150516"	189.102251	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+3ACN+2H"	125.094202
"1704441"	385.136985	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+NH4+CF3COOH"	132.026685
"1642279"	390.09238	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+Na+CF3COOH"	136.98208
"1586676"	406.06632	"C19374"	"Cinnamyl anthranilate"	"C16H15NO2"	"253.1103"	"M+K+CF3COOH"	152.95602
"807201"	300.0939	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M"	0
"980733"	281.07551	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-H2O-H"	-19.01839
"78525"	199.055324	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M-3H"	-3.021828
"518372"	299.086624	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M-3H"	-3.021828
"888531"	99.024024	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-3H"	-3.021828
"10386"	299.086624	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M-2H"	-2.014552
"449948"	449.133574	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M-2H"	-2.014552
"829579"	149.039674	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-2H"	-2.014552
"89934"	599.180524	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M-H"	-1.007276
"520750"	899.274424	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M-H"	-1.007276
"901831"	299.086624	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-H"	-1.007276
"50738"	616.207071	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M-2H+NH4"	16.019271
"495765"	916.300971	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M-2H+NH4"	16.019271
"874661"	316.113171	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-2H+NH4"	16.019271
"44749"	621.162466	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M-2H+Na"	20.974666
"484677"	921.256366	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M-2H+Na"	20.974666
"860656"	321.068566	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-2H+Na"	20.974666
"1629458"	321.068566	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Na-2H"	20.974666
"105988"	317.074963	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M-H+Cl"	33.962126
"545549"	467.121913	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M-H+Cl"	33.962126
"932506"	167.028013	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-H+Cl"	33.962126
"268875"	635.157202	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+Cl"	34.969402
"660238"	935.251102	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+Cl"	34.969402
"1281356"	335.063302	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Cl"	34.969402
"27192"	637.136406	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M-2H+K"	36.948606
"456055"	937.230306	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M-2H+K"	36.948606
"833613"	337.042506	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-2H+K"	36.948606
"1570604"	337.042506	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+K-2H"	36.948606
"958270"	345.092094	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-H+HCOOH"	44.998194
"375975"	645.186001	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+HCOOH-H"	44.998201
"359854"	659.201651	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+Hac-H"	59.013851
"1507232"	359.107751	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Hac-H"	59.013851
"970036"	367.074051	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-H+NaCOOH"	66.980151
"122226"	335.063302	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+2Cl"	69.938804
"564219"	485.110252	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+2Cl"	69.938804
"1028397"	185.016352	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2Cl"	69.938804
"1255266"	379.012785	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Br"	78.918885
"1312611"	381.068772	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Cl+HCOOH"	80.974872
"1326826"	403.050729	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Cl+NaCOOH"	102.956829
"925174"	413.079486	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M-H+CF3COOH"	112.985586
"1302610"	449.056164	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Cl+CF3COOH"	148.962264
"1380770"	265.081224	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H-2H2O"	-35.012676
"1395349"	283.0912	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H-H2O"	-17.0027
"293214"	601.195076	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+H"	1.007276
"683448"	901.288976	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+H"	1.007276
"1364903"	301.101176	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H"	1.007276
"139977"	301.101176	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+2H"	2.014552
"575893"	451.148126	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+2H"	2.014552
"1045787"	151.054226	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2H"	2.014552
"214420"	201.069876	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+3H"	3.021828
"655074"	301.101176	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+3H"	3.021828
"1174295"	101.038576	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+3H"	3.021828
"426631"	618.221623	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+NH4"	18.033823
"788719"	918.315523	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+NH4"	18.033823
"1685051"	318.127723	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+NH4"	18.033823
"334425"	309.6144495	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+H+NH4"	19.041099
"724659"	459.6613995	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+H+NH4"	19.041099
"1486132"	159.5674995	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H+NH4"	19.041099
"402627"	623.177018	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+Na"	22.989218
"766905"	923.270918	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+Na"	22.989218
"1613909"	323.083118	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Na"	22.989218
"322854"	312.092147	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+H+Na"	23.996494
"714182"	462.139097	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+H+Na"	23.996494
"1466907"	162.045197	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H+Na"	23.996494
"1057967"	108.36589	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2H+Na"	25.00377
"1262925"	333.127386	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+CH3OH+H"	33.033486
"381501"	639.150958	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+K"	38.963158
"746873"	939.244858	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+K"	38.963158
"1546739"	339.057058	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+K"	38.963158
"311572"	320.079117	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+H+K"	39.970434
"700713"	470.126067	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+H+K"	39.970434
"1458907"	170.032167	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H+K"	39.970434
"244230"	642.221626	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+ACN+H"	42.033826
"1223142"	342.127726	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+ACN+H"	42.033826
"1205932"	171.567501	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+ACN+2H"	43.041102
"201715"	645.15896	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+2Na-H"	44.97116
"631065"	945.25286	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+2Na-H"	44.97116
"1132626"	345.06506	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2Na-H"	44.97116
"176767"	323.083118	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+2Na"	45.978436
"617420"	473.130068	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+2Na"	45.978436
"1116187"	173.036168	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2Na"	45.978436
"1399704"	115.693204	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H+2Na"	46.985712
"1432193"	347.106646	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H+HCOOH"	47.012746
"221157"	328.11614	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+3H2O+2H"	56.04448
"1510317"	361.15869	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+IsoProp+H"	61.06479
"410734"	331.070088	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+Na+K"	61.952376
"775010"	481.117038	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+Na+K"	61.952376
"1676809"	181.023138	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Na+K"	61.952376
"266611"	664.203568	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+ACN+Na"	64.015768
"1240049"	364.109668	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+ACN+Na"	64.015768
"1724927"	364.133193	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+NH4+HCOOH"	64.039293
"1190283"	123.020518	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+3Na"	68.967654
"1660174"	369.088588	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Na+HCOOH"	68.994688
"167036"	677.10684	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+2K-H"	76.91904
"610974"	977.20074	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+2K-H"	76.91904
"1097675"	377.01294	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2K-H"	76.91904
"153399"	339.057058	"C19375"	"Coronene"	"C24H12"	"300.0939"	"2M+2K"	77.926316
"595145"	489.104008	"C19375"	"Coronene"	"C24H12"	"300.0939"	"3M+2K"	77.926316
"1076375"	189.010108	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2K"	77.926316
"1110679"	379.027492	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2K+H"	78.933592
"1345970"	379.115107	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+DMSO+H"	79.021207
"1012314"	383.154276	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2ACN+H"	83.060376
"1526062"	384.147908	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+IsoProp+Na+H"	84.054008
"992513"	192.080776	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+2ACN+2H"	84.067652
"1593580"	385.062528	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+K+HCOOH"	84.968628
"1415229"	415.094038	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+H+CF3COOH"	115.000138
"1153907"	212.594051	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+3ACN+2H"	125.094202
"1704551"	432.120585	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+NH4+CF3COOH"	132.026685
"1644576"	437.07598	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+Na+CF3COOH"	136.98208
"1586786"	453.04992	"C19375"	"Coronene"	"C24H12"	"300.0939"	"M+K+CF3COOH"	152.95602
"807311"	137.0841	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M"	0
"981937"	118.06571	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-H2O-H"	-19.01839
"74556"	90.382124	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M-3H"	-3.021828
"517033"	136.076824	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M-3H"	-3.021828
"887548"	44.687424	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-3H"	-3.021828
"10496"	136.076824	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M-2H"	-2.014552
"446778"	204.618874	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M-2H"	-2.014552
"829329"	67.534774	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-2H"	-2.014552
"92474"	273.160924	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M-H"	-1.007276
"527423"	410.245024	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M-H"	-1.007276
"905222"	136.076824	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-H"	-1.007276
"58140"	290.187471	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M-2H+NH4"	16.019271
"499157"	427.271571	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M-2H+NH4"	16.019271
"877323"	153.103371	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-2H+NH4"	16.019271
"45587"	295.142866	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M-2H+Na"	20.974666
"484787"	432.226966	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M-2H+Na"	20.974666
"861860"	158.058766	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-2H+Na"	20.974666
"1630662"	158.058766	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Na-2H"	20.974666
"106099"	154.065163	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M-H+Cl"	33.962126
"548819"	222.607213	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M-H+Cl"	33.962126
"938084"	85.523113	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-H+Cl"	33.962126
"273361"	309.137602	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+Cl"	34.969402
"666874"	446.221702	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+Cl"	34.969402
"1278183"	172.053502	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Cl"	34.969402
"19647"	311.116806	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M-2H+K"	36.948606
"459207"	448.200906	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M-2H+K"	36.948606
"838102"	174.032706	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-2H+K"	36.948606
"1568521"	174.032706	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+K-2H"	36.948606
"957379"	182.082294	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-H+HCOOH"	44.998194
"376569"	319.166401	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+HCOOH-H"	44.998201
"359971"	333.182051	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+Hac-H"	59.013851
"1508030"	196.097951	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Hac-H"	59.013851
"973068"	204.064251	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-H+NaCOOH"	66.980151
"121245"	172.053502	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+2Cl"	69.938804
"562992"	240.595552	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+2Cl"	69.938804
"1035073"	103.511452	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2Cl"	69.938804
"1254285"	216.002985	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Br"	78.918885
"1317094"	218.058972	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Cl+HCOOH"	80.974872
"1333861"	240.040929	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Cl+NaCOOH"	102.956829
"925284"	250.069686	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M-H+CF3COOH"	112.985586
"1304169"	286.046364	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Cl+CF3COOH"	148.962264
"1380152"	102.071424	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H-2H2O"	-35.012676
"1396558"	120.0814	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H-H2O"	-17.0027
"295149"	275.175476	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+H"	1.007276
"684654"	412.259576	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+H"	1.007276
"1359909"	138.091376	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H"	1.007276
"140457"	138.091376	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+2H"	2.014552
"579285"	206.633426	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+2H"	2.014552
"1049542"	69.549326	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2H"	2.014552
"217447"	92.396676	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+3H"	3.021828
"655184"	138.091376	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+3H"	3.021828
"1171125"	46.701976	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+3H"	3.021828
"426744"	292.202023	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+NH4"	18.033823
"788832"	429.286123	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+NH4"	18.033823
"1682246"	155.117923	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+NH4"	18.033823
"336723"	146.6046495	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+H+NH4"	19.041099
"728049"	215.1466995	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+H+NH4"	19.041099
"1488429"	78.0625995	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H+NH4"	19.041099
"402737"	297.157418	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+Na"	22.989218
"767015"	434.241518	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+Na"	22.989218
"1617300"	160.073318	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Na"	22.989218
"319685"	149.082347	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+H+Na"	23.996494
"715387"	217.624397	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+H+Na"	23.996494
"1467019"	80.540297	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H+Na"	23.996494
"1061359"	54.02929	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2H+Na"	25.00377
"1266318"	170.117586	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+CH3OH+H"	33.033486
"385987"	313.131358	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+K"	38.963158
"746985"	450.215458	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+K"	38.963158
"1552319"	176.047258	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+K"	38.963158
"312778"	157.069317	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+H+K"	39.970434
"703012"	225.611367	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+H+K"	39.970434
"1459751"	88.527267	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H+K"	39.970434
"247621"	316.202026	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+ACN+H"	42.033826
"1222888"	179.117926	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+ACN+H"	42.033826
"1207134"	90.062601	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+ACN+2H"	43.041102
"201460"	319.13936	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+2Na-H"	44.97116
"628992"	456.22346	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+2Na-H"	44.97116
"1132252"	182.05526	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2Na-H"	44.97116
"182347"	160.073318	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+2Na"	45.978436
"618625"	228.615368	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+2Na"	45.978436
"1116785"	91.531268	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2Na"	45.978436
"1401280"	61.356604	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H+2Na"	46.985712
"1434490"	184.096846	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H+HCOOH"	47.012746
"223093"	165.10634	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+3H2O+2H"	56.04448
"1512251"	198.14889	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+IsoProp+H"	61.06479
"413031"	168.060288	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+Na+K"	61.952376
"778400"	236.602338	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+Na+K"	61.952376
"1679473"	99.518238	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Na+K"	61.952376
"261984"	338.183968	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+ACN+Na"	64.015768
"1238704"	201.099868	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+ACN+Na"	64.015768
"1727226"	201.123393	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+NH4+HCOOH"	64.039293
"1191853"	68.683918	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+3Na"	68.967654
"1659193"	206.078788	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Na+HCOOH"	68.994688
"171647"	351.08724	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+2K-H"	76.91904
"609990"	488.17134	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+2K-H"	76.91904
"1095599"	214.00314	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2K-H"	76.91904
"150229"	176.047258	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"2M+2K"	77.926316
"595500"	244.589308	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"3M+2K"	77.926316
"1081952"	107.505208	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2K"	77.926316
"1109696"	216.017692	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2K+H"	78.933592
"1342800"	216.105307	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+DMSO+H"	79.021207
"1009144"	220.144476	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2ACN+H"	83.060376
"1529456"	221.138108	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+IsoProp+Na+H"	84.054008
"994809"	110.575876	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+2ACN+2H"	84.067652
"1588221"	222.052728	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+K+HCOOH"	84.968628
"1414488"	252.084238	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+H+CF3COOH"	115.000138
"1154017"	131.089151	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+3ACN+2H"	125.094202
"1704661"	269.110785	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+NH4+CF3COOH"	132.026685
"1642499"	274.06618	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+Na+CF3COOH"	136.98208
"1586896"	290.04012	"C19376"	"meta-Cresidine;m-Cresidine;4-Methoxy-2-methyl-benzenamine"	"C8H11NO"	"137.0841"	"M+K+CF3COOH"	152.95602
"807421"	70.0419	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M"	0
"982047"	51.02351	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-H2O-H"	-19.01839
"75393"	45.687324	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M-3H"	-3.021828
"517141"	69.034624	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M-3H"	-3.021828
"888751"	22.340024	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-3H"	-3.021828
"11699"	69.034624	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M-2H"	-2.014552
"447980"	104.055574	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M-2H"	-2.014552
"830776"	34.013674	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-2H"	-2.014552
"93069"	139.076524	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M-H"	-1.007276
"527532"	209.118424	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M-H"	-1.007276
"907157"	69.034624	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-H"	-1.007276
"59345"	156.103071	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M-2H+NH4"	16.019271
"500727"	226.144971	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M-2H+NH4"	16.019271
"877800"	86.061171	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-2H+NH4"	16.019271
"45700"	161.058466	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M-2H+Na"	20.974666
"486356"	231.100366	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M-2H+Na"	20.974666
"863670"	91.016566	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-2H+Na"	20.974666
"1631142"	91.016566	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Na-2H"	20.974666
"108762"	87.022963	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M-H+Cl"	33.962126
"547232"	122.043913	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M-H+Cl"	33.962126
"936007"	52.002013	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-H+Cl"	33.962126
"274564"	175.053202	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+Cl"	34.969402
"671358"	245.095102	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+Cl"	34.969402
"1277201"	105.011302	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Cl"	34.969402
"27412"	177.032406	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M-2H+K"	36.948606
"463692"	247.074306	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M-2H+K"	36.948606
"840400"	106.990506	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-2H+K"	36.948606
"1568995"	106.990506	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+K-2H"	36.948606
"956882"	115.040094	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-H+HCOOH"	44.998194
"376680"	185.082001	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+HCOOH-H"	44.998201
"358870"	199.097651	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+Hac-H"	59.013851
"1508059"	129.055751	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Hac-H"	59.013851
"970989"	137.022051	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-H+NaCOOH"	66.980151
"121356"	105.011302	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+2Cl"	69.938804
"561644"	140.032252	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+2Cl"	69.938804
"1033358"	69.990352	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2Cl"	69.938804
"1252571"	148.960785	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Br"	78.918885
"1317570"	151.016772	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Cl+HCOOH"	80.974872
"1333972"	172.998729	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Cl+NaCOOH"	102.956829
"918105"	183.027486	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M-H+CF3COOH"	112.985586
"1303197"	219.004164	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Cl+CF3COOH"	148.962264
"1381600"	35.029224	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H-2H2O"	-35.012676
"1394480"	53.0392	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H-H2O"	-17.0027
"293073"	141.091076	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+H"	1.007276
"683670"	211.132976	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+H"	1.007276
"1361844"	71.049176	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H"	1.007276
"137648"	71.049176	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+2H"	2.014552
"576844"	106.070126	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+2H"	2.014552
"1050753"	36.028226	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2H"	2.014552
"214641"	47.701876	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+3H"	3.021828
"657482"	71.049176	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+3H"	3.021828
"1164677"	24.354576	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+3H"	3.021828
"424580"	158.117623	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+NH4"	18.033823
"792224"	228.159523	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+NH4"	18.033823
"1688554"	88.075723	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+NH4"	18.033823
"343394"	79.5624495	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+H+NH4"	19.041099
"733627"	114.5833995	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+H+NH4"	19.041099
"1489633"	44.5414995	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H+NH4"	19.041099
"402847"	163.073018	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+Na"	22.989218
"769763"	233.114918	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+Na"	22.989218
"1618382"	93.031118	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Na"	22.989218
"328543"	82.040147	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+H+Na"	23.996494
"720843"	117.061097	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+H+Na"	23.996494
"1473691"	47.019197	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H+Na"	23.996494
"1065845"	31.68189	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2H+Na"	25.00377
"1268617"	103.075386	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+CH3OH+H"	33.033486
"390474"	179.046958	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+K"	38.963158
"751469"	249.088858	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+K"	38.963158
"1555544"	109.005058	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+K"	38.963158
"314201"	90.027117	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+H+K"	39.970434
"703122"	125.048067	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+H+K"	39.970434
"1460832"	55.006167	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H+K"	39.970434
"251013"	182.117626	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+ACN+H"	42.033826
"1224333"	112.075726	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+ACN+H"	42.033826
"1208700"	56.541501	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+ACN+2H"	43.041102
"203030"	185.05496	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+2Na-H"	44.97116
"631289"	255.09686	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+2Na-H"	44.97116
"1132363"	115.01306	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2Na-H"	44.97116
"180272"	93.031118	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+2Na"	45.978436
"617643"	128.052068	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+2Na"	45.978436
"1123336"	58.010168	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2Na"	45.978436
"1409047"	39.009204	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H+2Na"	46.985712
"1436790"	117.054646	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H+HCOOH"	47.012746
"230862"	98.06414	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+3H2O+2H"	56.04448
"1522203"	131.10669	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+IsoProp+H"	61.06479
"423717"	101.018088	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+Na+K"	61.952376
"782889"	136.039038	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+Na+K"	61.952376
"1679586"	65.997138	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Na+K"	61.952376
"265740"	204.099568	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+ACN+Na"	64.015768
"1240275"	134.057668	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+ACN+Na"	64.015768
"1727218"	134.081193	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+NH4+HCOOH"	64.039293
"1193914"	46.336518	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+3Na"	68.967654
"1661489"	139.036588	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Na+HCOOH"	68.994688
"172000"	217.00284	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+2K-H"	76.91904
"611193"	287.04474	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+2K-H"	76.91904
"1099724"	146.96094	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2K-H"	76.91904
"153619"	109.005058	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"2M+2K"	77.926316
"595243"	144.026008	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"3M+2K"	77.926316
"1083034"	73.984108	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2K"	77.926316
"1114311"	148.975492	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2K+H"	78.933592
"1349230"	149.063107	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+DMSO+H"	79.021207
"1016909"	153.102276	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2ACN+H"	83.060376
"1531753"	154.095908	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+IsoProp+Na+H"	84.054008
"998201"	77.054776	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+2ACN+2H"	84.067652
"1592705"	155.010528	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+K+HCOOH"	84.968628
"1421651"	185.042038	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+H+CF3COOH"	115.000138
"1157407"	97.568051	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+3ACN+2H"	125.094202
"1704771"	202.068585	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+NH4+CF3COOH"	132.026685
"1644796"	207.02398	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+Na+CF3COOH"	136.98208
"1587006"	222.99792	"C19377"	"Crotonaldehyde;2-Butenal"	"C4H6O"	"70.0419"	"M+K+CF3COOH"	152.95602
"807531"	201.0436	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M"	0
"981064"	182.02521	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-H2O-H"	-19.01839
"70400"	133.021790666667	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M-3H"	-3.021828
"514334"	200.036324	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M-3H"	-3.021828
"891042"	66.0072573333333	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-3H"	-3.021828
"13993"	200.036324	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M-2H"	-2.014552
"451365"	300.558124	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M-2H"	-2.014552
"824798"	99.514524	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-2H"	-2.014552
"92081"	401.079924	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M-H"	-1.007276
"522530"	602.123524	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M-H"	-1.007276
"900333"	200.036324	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-H"	-1.007276
"56531"	418.106471	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M-2H+NH4"	16.019271
"487706"	619.150071	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M-2H+NH4"	16.019271
"876079"	217.062871	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-2H+NH4"	16.019271
"38512"	423.061866	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M-2H+Na"	20.974666
"478073"	624.105466	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M-2H+Na"	20.974666
"863053"	222.018266	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-2H+Na"	20.974666
"1633442"	222.018266	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Na-2H"	20.974666
"108878"	218.024663	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M-H+Cl"	33.962126
"548436"	318.546463	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M-H+Cl"	33.962126
"939395"	117.502863	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-H+Cl"	33.962126
"275767"	437.056602	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+Cl"	34.969402
"668188"	638.100202	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+Cl"	34.969402
"1283873"	236.013002	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Cl"	34.969402
"27522"	439.035806	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M-2H+K"	36.948606
"462708"	640.079406	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M-2H+K"	36.948606
"839417"	237.992206	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-2H+K"	36.948606
"1557432"	237.992206	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+K-2H"	36.948606
"949691"	246.041794	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-H+HCOOH"	44.998194
"365723"	447.085401	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+HCOOH-H"	44.998201
"349971"	461.101051	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+Hac-H"	59.013851
"1501720"	260.057451	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Hac-H"	59.013851
"972554"	268.023751	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-H+NaCOOH"	66.980151
"124376"	236.013002	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+2Cl"	69.938804
"564302"	336.534802	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+2Cl"	69.938804
"1035285"	135.491202	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2Cl"	69.938804
"1256647"	279.962485	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Br"	78.918885
"1317674"	282.018472	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Cl+HCOOH"	80.974872
"1331525"	304.000429	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Cl+NaCOOH"	102.956829
"927039"	314.029186	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M-H+CF3COOH"	112.985586
"1304172"	350.005864	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Cl+CF3COOH"	148.962264
"1382195"	166.030924	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H-2H2O"	-35.012676
"1396046"	184.0409	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H-H2O"	-17.0027
"295733"	403.094476	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+H"	1.007276
"685603"	604.138076	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+H"	1.007276
"1364505"	202.050876	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H"	1.007276
"139826"	202.050876	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+2H"	2.014552
"579505"	302.572676	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+2H"	2.014552
"1052315"	101.529076	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2H"	2.014552
"210374"	135.036342666667	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+3H"	3.021828
"653219"	202.050876	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+3H"	3.021828
"1169155"	68.0218093333333	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+3H"	3.021828
"430243"	420.121023	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+NH4"	18.033823
"787228"	621.164623	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+NH4"	18.033823
"1688661"	219.077423	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+NH4"	18.033823
"334752"	210.5641495	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+H+NH4"	19.041099
"723162"	311.0859495	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+H+NH4"	19.041099
"1489742"	110.0423495	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H+NH4"	19.041099
"402955"	425.076418	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+Na"	22.989218
"769717"	626.120018	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+Na"	22.989218
"1618211"	224.032818	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Na"	22.989218
"325369"	213.041847	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+H+Na"	23.996494
"715604"	313.563647	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+H+Na"	23.996494
"1473800"	112.520047	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H+Na"	23.996494
"1064858"	75.3491233333333	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2H+Na"	25.00377
"1268723"	234.077086	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+CH3OH+H"	33.033486
"390578"	441.050358	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+K"	38.963158
"748294"	642.093958	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+K"	38.963158
"1551441"	240.006758	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+K"	38.963158
"307522"	221.028817	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+H+K"	39.970434
"697757"	321.550617	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+H+K"	39.970434
"1461217"	120.507017	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H+K"	39.970434
"247835"	444.121026	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+ACN+H"	42.033826
"1220544"	243.077426	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+ACN+H"	42.033826
"1196042"	122.042351	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+ACN+2H"	43.041102
"194017"	447.05836	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+2Na-H"	44.97116
"637952"	648.10196	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+2Na-H"	44.97116
"1140367"	246.01476	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2Na-H"	44.97116
"179288"	224.032818	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+2Na"	45.978436
"623952"	324.554618	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+2Na"	45.978436
"1125634"	123.511018	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2Na"	45.978436
"1406970"	82.6764373333333	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H+2Na"	46.985712
"1444192"	248.056346	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H+HCOOH"	47.012746
"235468"	229.06584	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+3H2O+2H"	56.04448
"1517937"	262.10839	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+IsoProp+H"	61.06479
"414342"	232.019788	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+Na+K"	61.952376
"778619"	332.541588	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+Na+K"	61.952376
"1666929"	131.497988	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Na+K"	61.952376
"251538"	466.102968	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+ACN+Na"	64.015768
"1226885"	265.059368	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+ACN+Na"	64.015768
"1714674"	265.082893	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+NH4+HCOOH"	64.039293
"1184409"	90.0037513333333	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+3Na"	68.967654
"1661593"	270.038288	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Na+HCOOH"	68.994688
"172770"	479.00624	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+2K-H"	76.91904
"612773"	680.04984	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+2K-H"	76.91904
"1095810"	277.96264	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2K-H"	76.91904
"153724"	240.006758	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"2M+2K"	77.926316
"596200"	340.528558	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"3M+2K"	77.926316
"1075610"	139.484958	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2K"	77.926316
"1109912"	279.977192	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2K+H"	78.933592
"1350429"	280.064807	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+DMSO+H"	79.021207
"1009362"	284.103976	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2ACN+H"	83.060376
"1530767"	285.097608	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+IsoProp+Na+H"	84.054008
"1001589"	142.555626	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+2ACN+2H"	84.067652
"1597187"	286.012228	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+K+HCOOH"	84.968628
"1419564"	316.043738	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+H+CF3COOH"	115.000138
"1154228"	163.068901	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+3ACN+2H"	125.094202
"1699407"	333.070285	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+NH4+CF3COOH"	132.026685
"1635058"	338.02568	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+Na+CF3COOH"	136.98208
"1571802"	353.99962	"C19378"	"Cyclamate;Sodium cyclamate"	"C6H12NO3SNa"	"201.0436"	"M+K+CF3COOH"	152.95602
"807641"	571.1601	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M"	0
"981174"	552.14171	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-H2O-H"	-19.01839
"70510"	379.766124	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M-3H"	-3.021828
"514080"	570.152824	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M-3H"	-3.021828
"886777"	189.379424	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-3H"	-3.021828
"8634"	570.152824	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M-2H"	-2.014552
"446007"	855.732874	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M-2H"	-2.014552
"827091"	284.572774	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-2H"	-2.014552
"87081"	1141.312924	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M-H"	-1.007276
"521182"	1712.473024	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M-H"	-1.007276
"901172"	570.152824	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-H"	-1.007276
"56640"	1158.339471	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M-2H+NH4"	16.019271
"487694"	1729.499571	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M-2H+NH4"	16.019271
"874002"	587.179371	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-2H+NH4"	16.019271
"37529"	1163.294866	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M-2H+Na"	20.974666
"478183"	1734.454966	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M-2H+Na"	20.974666
"862557"	592.134766	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-2H+Na"	20.974666
"1633552"	592.134766	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Na-2H"	20.974666
"108987"	588.141163	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M-H+Cl"	33.962126
"548911"	873.721213	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M-H+Cl"	33.962126
"938413"	302.561113	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-H+Cl"	33.962126
"274784"	1177.289602	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+Cl"	34.969402
"667203"	1748.449702	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+Cl"	34.969402
"1279607"	606.129502	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Cl"	34.969402
"24350"	1179.268806	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M-2H+K"	36.948606
"463910"	1750.428906	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M-2H+K"	36.948606
"840620"	608.108706	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-2H+K"	36.948606
"1558999"	608.108706	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+K-2H"	36.948606
"946520"	616.158294	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-H+HCOOH"	44.998194
"369111"	1187.318401	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+HCOOH-H"	44.998201
"351174"	1201.334051	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+Hac-H"	59.013851
"1501830"	630.173951	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Hac-H"	59.013851
"973756"	638.140251	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-H+NaCOOH"	66.980151
"124118"	606.129502	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+2Cl"	69.938804
"565140"	891.709552	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+2Cl"	69.938804
"1035759"	320.549452	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2Cl"	69.938804
"1255706"	650.078985	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Br"	78.918885
"1318151"	652.134972	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Cl+HCOOH"	80.974872
"1330541"	674.116929	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Cl+NaCOOH"	102.956829
"925492"	684.145686	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M-H+CF3COOH"	112.985586
"1304057"	720.122364	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Cl+CF3COOH"	148.962264
"1381577"	536.147424	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H-2H2O"	-35.012676
"1396156"	554.1574	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H-H2O"	-17.0027
"294384"	1143.327476	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+H"	1.007276
"685713"	1714.487576	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+H"	1.007276
"1355867"	572.167376	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H"	1.007276
"138961"	572.167376	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+2H"	2.014552
"580466"	857.747426	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+2H"	2.014552
"1052184"	286.587326	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2H"	2.014552
"208297"	381.780676	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+3H"	3.021828
"653328"	572.167376	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+3H"	3.021828
"1165985"	191.393976	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+3H"	3.021828
"429257"	1160.354023	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+NH4"	18.033823
"786974"	1731.514123	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+NH4"	18.033823
"1685491"	589.193923	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+NH4"	18.033823
"334862"	580.6806495	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+H+NH4"	19.041099
"723392"	866.2606995	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+H+NH4"	19.041099
"1483291"	295.1005995	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H+NH4"	19.041099
"395410"	1165.309418	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+Na"	22.989218
"769050"	1736.469518	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+Na"	22.989218
"1617513"	594.149318	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Na"	22.989218
"326572"	583.158347	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+H+Na"	23.996494
"715714"	868.738397	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+H+Na"	23.996494
"1473910"	297.578297	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H+Na"	23.996494
"1066061"	198.72129	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2H+Na"	25.00377
"1270777"	604.193586	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+CH3OH+H"	33.033486
"390688"	1181.283358	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+K"	38.963158
"749498"	1752.443458	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+K"	38.963158
"1551551"	610.123258	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+K"	38.963158
"305445"	591.145317	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+H+K"	39.970434
"697867"	876.725367	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+H+K"	39.970434
"1460807"	305.565267	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H+K"	39.970434
"247945"	1184.354026	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+ACN+H"	42.033826
"1220654"	613.193926	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+ACN+H"	42.033826
"1196880"	307.100601	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+ACN+2H"	43.041102
"195220"	1187.29136	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+2Na-H"	44.97116
"638062"	1758.45146	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+2Na-H"	44.97116
"1142299"	616.13126	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2Na-H"	44.97116
"174295"	594.149318	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+2Na"	45.978436
"616043"	879.729368	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+2Na"	45.978436
"1119183"	308.569268	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2Na"	45.978436
"1404893"	206.048604	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H+2Na"	46.985712
"1440291"	618.172846	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H+HCOOH"	47.012746
"233631"	599.18234	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+3H2O+2H"	56.04448
"1515860"	632.22489	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+IsoProp+H"	61.06479
"414452"	602.136288	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+Na+K"	61.952376
"778729"	887.716338	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+Na+K"	61.952376
"1666675"	316.556238	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Na+K"	61.952376
"251928"	1206.335968	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+ACN+Na"	64.015768
"1226631"	635.175868	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+ACN+Na"	64.015768
"1714419"	635.199393	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+NH4+HCOOH"	64.039293
"1183426"	213.375918	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+3Na"	68.967654
"1660610"	640.154788	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Na+HCOOH"	68.994688
"172579"	1219.23924	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+2K-H"	76.91904
"612386"	1790.39934	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+2K-H"	76.91904
"1095920"	648.07914	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2K-H"	76.91904
"153834"	610.123258	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"2M+2K"	77.926316
"593394"	895.703308	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"3M+2K"	77.926316
"1074627"	324.543208	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2K"	77.926316
"1110022"	650.093692	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2K+H"	78.933592
"1348594"	650.181307	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+DMSO+H"	79.021207
"1010565"	654.220476	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2ACN+H"	83.060376
"1533062"	655.214108	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+IsoProp+Na+H"	84.054008
"999512"	327.613876	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+2ACN+2H"	84.067652
"1597294"	656.128728	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+K+HCOOH"	84.968628
"1425141"	686.160238	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+H+CF3COOH"	115.000138
"1153243"	348.127151	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+3ACN+2H"	125.094202
"1699517"	703.186785	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+NH4+CF3COOH"	132.026685
"1635530"	708.14218	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+Na+CF3COOH"	136.98208
"1571912"	724.11612	"C19379"	"Cyclochlorotine"	"C24H31Cl2N5O7"	"571.1601"	"M+K+CF3COOH"	152.95602
"807751"	240.0939	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M"	0
"981284"	221.07551	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-H2O-H"	-19.01839
"70620"	159.055324	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M-3H"	-3.021828
"514554"	239.086624	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M-3H"	-3.021828
"887980"	79.024024	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-3H"	-3.021828
"7651"	239.086624	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M-2H"	-2.014552
"450492"	359.133574	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M-2H"	-2.014552
"826108"	119.039674	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-2H"	-2.014552
"86099"	479.180524	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M-H"	-1.007276
"520199"	719.274424	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M-H"	-1.007276
"901282"	239.086624	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-H"	-1.007276
"54564"	496.207071	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M-2H+NH4"	16.019271
"488411"	736.300971	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M-2H+NH4"	16.019271
"873019"	256.113171	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-2H+NH4"	16.019271
"37639"	501.162466	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M-2H+Na"	20.974666
"478293"	741.256366	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M-2H+Na"	20.974666
"861937"	261.068566	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-2H+Na"	20.974666
"1631108"	261.068566	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Na-2H"	20.974666
"108732"	257.074963	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M-H+Cl"	33.962126
"547926"	377.121913	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M-H+Cl"	33.962126
"935241"	137.028013	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-H+Cl"	33.962126
"275986"	515.157202	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+Cl"	34.969402
"668408"	755.251102	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+Cl"	34.969402
"1280810"	275.063302	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Cl"	34.969402
"26647"	517.136406	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M-2H+K"	36.948606
"462926"	757.230306	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M-2H+K"	36.948606
"844010"	277.042506	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-2H+K"	36.948606
"1564215"	277.042506	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+K-2H"	36.948606
"948817"	285.092094	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-H+HCOOH"	44.998194
"369221"	525.186001	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+HCOOH-H"	44.998201
"353105"	539.201651	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+Hac-H"	59.013851
"1500846"	299.107751	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Hac-H"	59.013851
"973381"	307.074051	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-H+NaCOOH"	66.980151
"123866"	275.063302	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+2Cl"	69.938804
"564522"	395.110252	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+2Cl"	69.938804
"1034049"	155.016352	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2Cl"	69.938804
"1256181"	319.012785	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Br"	78.918885
"1317530"	321.068772	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Cl+HCOOH"	80.974872
"1333203"	343.050729	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Cl+NaCOOH"	102.956829
"926453"	353.079486	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M-H+CF3COOH"	112.985586
"1303649"	389.056164	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Cl+CF3COOH"	148.962264
"1381322"	205.081224	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H-2H2O"	-35.012676
"1398098"	223.0912	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H-H2O"	-17.0027
"297413"	481.195076	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+H"	1.007276
"686188"	721.288976	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+H"	1.007276
"1364725"	241.101176	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H"	1.007276
"140654"	241.101176	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+2H"	2.014552
"580818"	361.148126	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+2H"	2.014552
"1050961"	121.054226	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2H"	2.014552
"212780"	161.069876	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+3H"	3.021828
"651252"	241.101176	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+3H"	3.021828
"1170471"	81.038576	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+3H"	3.021828
"431557"	498.221623	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+NH4"	18.033823
"787085"	738.315523	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+NH4"	18.033823
"1685601"	258.127723	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+NH4"	18.033823
"331693"	249.6144495	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+H+NH4"	19.041099
"725206"	369.6613995	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+H+NH4"	19.041099
"1483401"	129.5674995	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H+NH4"	19.041099
"397707"	503.177018	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+Na"	22.989218
"765274"	743.270918	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+Na"	22.989218
"1616650"	263.083118	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Na"	22.989218
"325591"	252.092147	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+H+Na"	23.996494
"719106"	372.139097	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+H+Na"	23.996494
"1474023"	132.045197	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H+Na"	23.996494
"1063985"	88.36589	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2H+Na"	25.00377
"1270037"	273.127386	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+CH3OH+H"	33.033486
"389706"	519.150958	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+K"	38.963158
"748514"	759.244858	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+K"	38.963158
"1550567"	279.057058	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+K"	38.963158
"308837"	260.079117	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+H+K"	39.970434
"701258"	380.126067	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+H+K"	39.970434
"1460433"	140.032167	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H+K"	39.970434
"247691"	522.221626	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+ACN+H"	42.033826
"1220764"	282.127726	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+ACN+H"	42.033826
"1197719"	141.567501	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+ACN+2H"	43.041102
"197516"	525.15896	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+2Na-H"	44.97116
"639630"	765.25286	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+2Na-H"	44.97116
"1143502"	285.06506	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2Na-H"	44.97116
"180601"	263.083118	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+2Na"	45.978436
"620162"	383.130068	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+2Na"	45.978436
"1120386"	143.036168	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2Na"	45.978436
"1407190"	95.693204	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H+2Na"	46.985712
"1442225"	287.106646	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H+HCOOH"	47.012746
"231919"	268.11614	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+3H2O+2H"	56.04448
"1520346"	301.15869	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+IsoProp+H"	61.06479
"412377"	271.070088	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+Na+K"	61.952376
"778839"	391.117038	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+Na+K"	61.952376
"1667880"	151.023138	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Na+K"	61.952376
"252083"	544.203568	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+ACN+Na"	64.015768
"1227833"	304.109668	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+ACN+Na"	64.015768
"1714652"	304.133193	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+NH4+HCOOH"	64.039293
"1183172"	103.020518	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+3Na"	68.967654
"1660720"	309.088588	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Na+HCOOH"	68.994688
"171475"	557.10684	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+2K-H"	76.91904
"609330"	797.20074	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+2K-H"	76.91904
"1094937"	317.01294	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2K-H"	76.91904
"156949"	279.057058	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"2M+2K"	77.926316
"591318"	399.104008	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"3M+2K"	77.926316
"1080205"	159.010108	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2K"	77.926316
"1111227"	319.027492	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2K+H"	78.933592
"1348705"	319.115107	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+DMSO+H"	79.021207
"1008853"	323.154276	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2ACN+H"	83.060376
"1532079"	324.147908	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+IsoProp+Na+H"	84.054008
"1001809"	162.080776	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+2ACN+2H"	84.067652
"1596311"	325.062528	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+K+HCOOH"	84.968628
"1421973"	355.094038	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+H+CF3COOH"	115.000138
"1158822"	182.594051	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+3ACN+2H"	125.094202
"1699627"	372.120585	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+NH4+CF3COOH"	132.026685
"1636370"	377.07598	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+Na+CF3COOH"	136.98208
"1572386"	393.04992	"C19380"	"4H-Cyclopentadefchrysene"	"C19H12"	"240.0939"	"M+K+CF3COOH"	152.95602
"816245"	268.1252	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M"	0
"984675"	249.10681	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-H2O-H"	-19.01839
"76202"	177.742857333333	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M-3H"	-3.021828
"512484"	267.117924	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M-3H"	-3.021828
"894292"	88.3677906666667	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-3H"	-3.021828
"15051"	267.117924	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M-2H"	-2.014552
"453882"	401.180524	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M-2H"	-2.014552
"830592"	133.055324	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-2H"	-2.014552
"94271"	535.243124	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M-H"	-1.007276
"522496"	803.368324	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M-H"	-1.007276
"903579"	267.117924	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-H"	-1.007276
"56861"	552.269671	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M-2H+NH4"	16.019271
"488640"	820.394871	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M-2H+NH4"	16.019271
"874222"	284.144471	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-2H+NH4"	16.019271
"37749"	557.225066	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M-2H+Na"	20.974666
"476215"	825.350266	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M-2H+Na"	20.974666
"862656"	289.099866	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-2H+Na"	20.974666
"1633040"	289.099866	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Na-2H"	20.974666
"107382"	285.106263	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M-H+Cl"	33.962126
"546942"	419.168863	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M-H+Cl"	33.962126
"937537"	151.043663	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-H+Cl"	33.962126
"277186"	571.219802	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+Cl"	34.969402
"670704"	839.345002	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+Cl"	34.969402
"1280920"	303.094602	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Cl"	34.969402
"27850"	573.199006	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M-2H+K"	36.948606
"466316"	841.324206	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M-2H+K"	36.948606
"845213"	305.073806	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-2H+K"	36.948606
"1561045"	305.073806	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+K-2H"	36.948606
"952207"	313.123394	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-H+HCOOH"	44.998194
"366048"	581.248601	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+HCOOH-H"	44.998201
"353214"	595.264251	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+Hac-H"	59.013851
"1500956"	327.139051	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Hac-H"	59.013851
"973980"	335.105351	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-H+NaCOOH"	66.980151
"121422"	303.094602	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+2Cl"	69.938804
"563900"	437.157202	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+2Cl"	69.938804
"1034520"	169.032002	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2Cl"	69.938804
"1255924"	347.044085	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Br"	78.918885
"1315817"	349.100072	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Cl+HCOOH"	80.974872
"1331855"	371.082029	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Cl+NaCOOH"	102.956829
"925956"	381.110786	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M-H+CF3COOH"	112.985586
"1303275"	417.087464	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Cl+CF3COOH"	148.962264
"1381437"	233.112524	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H-2H2O"	-35.012676
"1398165"	251.1225	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H-H2O"	-17.0027
"298535"	537.257676	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+H"	1.007276
"687392"	805.382876	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+H"	1.007276
"1366785"	269.132476	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H"	1.007276
"141299"	269.132476	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+2H"	2.014552
"581141"	403.195076	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+2H"	2.014552
"1052570"	135.069876	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2H"	2.014552
"216172"	179.757409333333	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+3H"	3.021828
"653549"	269.132476	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+3H"	3.021828
"1168395"	90.3823426666667	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+3H"	3.021828
"434947"	554.284223	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+NH4"	18.033823
"790475"	822.409423	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+NH4"	18.033823
"1688991"	286.159023	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+NH4"	18.033823
"335083"	277.6457495	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+H+NH4"	19.041099
"731878"	411.7083495	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+H+NH4"	19.041099
"1490072"	143.5831495	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H+NH4"	19.041099
"403285"	559.239618	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+Na"	22.989218
"769478"	827.364818	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+Na"	22.989218
"1617818"	291.114418	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Na"	22.989218
"329436"	280.123447	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+H+Na"	23.996494
"721651"	414.186047	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+H+Na"	23.996494
"1475228"	146.060847	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H+Na"	23.996494
"1067377"	97.7096566666667	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2H+Na"	25.00377
"1271241"	301.158686	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+CH3OH+H"	33.033486
"389816"	575.213558	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+K"	38.963158
"748624"	843.338758	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+K"	38.963158
"1550677"	307.088358	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+K"	38.963158
"307853"	288.110417	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+H+K"	39.970434
"700275"	422.173017	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+H+K"	39.970434
"1460827"	154.047817	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H+K"	39.970434
"248165"	578.284226	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+ACN+H"	42.033826
"1220874"	310.159026	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+ACN+H"	42.033826
"1197100"	155.583151	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+ACN+2H"	43.041102
"196533"	581.22156	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+2Na-H"	44.97116
"640468"	849.34676	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+2Na-H"	44.97116
"1141789"	313.09636	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2Na-H"	44.97116
"177425"	291.114418	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+2Na"	45.978436
"624281"	425.177018	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+2Na"	45.978436
"1122683"	157.051818	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2Na"	45.978436
"1411312"	105.036970666667	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H+2Na"	46.985712
"1442699"	315.137946	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H+HCOOH"	47.012746
"232760"	296.14744	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+3H2O+2H"	56.04448
"1520456"	329.18999	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+IsoProp+H"	61.06479
"414673"	299.101388	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+Na+K"	61.952376
"778949"	433.163988	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+Na+K"	61.952376
"1669083"	165.038788	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Na+K"	61.952376
"251707"	600.266168	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+ACN+Na"	64.015768
"1225834"	332.140968	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+ACN+Na"	64.015768
"1713669"	332.164493	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+NH4+HCOOH"	64.039293
"1184375"	112.364284666667	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+3Na"	68.967654
"1660830"	337.119888	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Na+HCOOH"	68.994688
"172194"	613.16944	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+2K-H"	76.91904
"609440"	881.29464	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+2K-H"	76.91904
"1097234"	345.04424	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2K-H"	76.91904
"156739"	307.088358	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"2M+2K"	77.926316
"596661"	441.150958	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"3M+2K"	77.926316
"1078127"	173.025758	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2K"	77.926316
"1111337"	347.058792	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2K+H"	78.933592
"1344442"	347.146407	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+DMSO+H"	79.021207
"1015160"	351.185576	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2ACN+H"	83.060376
"1535472"	352.179208	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+IsoProp+Na+H"	84.054008
"1003014"	176.096426	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+2ACN+2H"	84.067652
"1596421"	353.093828	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+K+HCOOH"	84.968628
"1422084"	383.125338	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+H+CF3COOH"	115.000138
"1160026"	196.609701	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+3ACN+2H"	125.094202
"1703015"	400.151885	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+NH4+CF3COOH"	132.026685
"1636482"	405.10728	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+Na+CF3COOH"	136.98208
"1572496"	421.08122	"C19381"	"56-Cyclopenteno-12-benzanthracene;23-Dihydro-1H-benzoacyclopenthanthracene"	"C21H16"	"268.1252"	"M+K+CF3COOH"	152.95602
"813440"	887.9465	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M"	0
"988432"	868.92811	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-H2O-H"	-19.01839
"75215"	590.957057333333	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M-3H"	-3.021828
"515872"	886.939224	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M-3H"	-3.021828
"894402"	294.974890666667	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-3H"	-3.021828
"14797"	886.939224	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M-2H"	-2.014552
"450712"	1330.912474	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M-2H"	-2.014552
"829609"	442.965974	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-2H"	-2.014552
"94222"	1774.885724	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M-H"	-1.007276
"522606"	2662.832224	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M-H"	-1.007276
"902597"	886.939224	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-H"	-1.007276
"54783"	1791.912271	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M-2H+NH4"	16.019271
"487900"	2679.858771	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M-2H+NH4"	16.019271
"871051"	903.965771	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-2H+NH4"	16.019271
"37859"	1796.867666	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M-2H+Na"	20.974666
"478512"	2684.814166	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M-2H+Na"	20.974666
"863494"	908.921166	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-2H+Na"	20.974666
"1632785"	908.921166	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Na-2H"	20.974666
"108585"	904.927563	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M-H+Cl"	33.962126
"549325"	1348.900813	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M-H+Cl"	33.962126
"942024"	460.954313	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-H+Cl"	33.962126
"276203"	1810.862402	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+Cl"	34.969402
"671907"	2698.808902	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+Cl"	34.969402
"1281030"	922.915902	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Cl"	34.969402
"28689"	1812.841606	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M-2H+K"	36.948606
"466426"	2700.788106	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M-2H+K"	36.948606
"845323"	924.895106	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-2H+K"	36.948606
"1561155"	924.895106	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+K-2H"	36.948606
"952317"	932.944694	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-H+HCOOH"	44.998194
"367252"	1820.891201	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+HCOOH-H"	44.998201
"355510"	1834.906851	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+Hac-H"	59.013851
"1501066"	946.960351	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Hac-H"	59.013851
"972625"	954.926651	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-H+NaCOOH"	66.980151
"121896"	922.915902	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+2Cl"	69.938804
"561822"	1366.889152	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+2Cl"	69.938804
"1033535"	478.942652	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2Cl"	69.938804
"1253114"	966.865385	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Br"	78.918885
"1312280"	968.921372	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Cl+HCOOH"	80.974872
"1326496"	990.903329	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Cl+NaCOOH"	102.956829
"921932"	1000.932086	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M-H+CF3COOH"	112.985586
"1301923"	1036.908764	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Cl+CF3COOH"	148.962264
"1380448"	852.933824	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H-2H2O"	-35.012676
"1397459"	870.9438	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H-H2O"	-17.0027
"292528"	1776.900276	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+H"	1.007276
"685314"	2664.846776	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+H"	1.007276
"1364579"	888.953776	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H"	1.007276
"140384"	888.953776	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+2H"	2.014552
"579583"	1332.927026	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+2H"	2.014552
"1052352"	444.980526	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2H"	2.014552
"211908"	592.971609333333	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+3H"	3.021828
"651470"	888.953776	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+3H"	3.021828
"1168502"	296.989442666667	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+3H"	3.021828
"429587"	1793.926823	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+NH4"	18.033823
"791676"	2681.873323	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+NH4"	18.033823
"1685819"	905.980323	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+NH4"	18.033823
"335192"	897.4670495	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+H+NH4"	19.041099
"728707"	1341.4402995	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+H+NH4"	19.041099
"1486901"	453.4937995	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H+NH4"	19.041099
"400114"	1798.882218	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+Na"	22.989218
"769932"	2686.828718	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+Na"	22.989218
"1616872"	910.935718	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Na"	22.989218
"329338"	899.944747	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+H+Na"	23.996494
"721515"	1343.917997	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+H+Na"	23.996494
"1474610"	455.971497	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H+Na"	23.996494
"1066393"	304.316756666667	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2H+Na"	25.00377
"1271352"	920.979986	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+CH3OH+H"	33.033486
"389926"	1814.856158	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+K"	38.963158
"745454"	2702.802658	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+K"	38.963158
"1549694"	926.909658	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+K"	38.963158
"305776"	907.931717	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+H+K"	39.970434
"699292"	1351.904967	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+H+K"	39.970434
"1459680"	463.958467	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H+K"	39.970434
"246088"	1817.926826	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+ACN+H"	42.033826
"1220984"	929.980326	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+ACN+H"	42.033826
"1195751"	465.493801	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+ACN+2H"	43.041102
"191904"	1820.86416	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+2Na-H"	44.97116
"632194"	2708.81066	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+2Na-H"	44.97116
"1138619"	932.91766	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2Na-H"	44.97116
"177535"	910.935718	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+2Na"	45.978436
"624755"	1354.908968	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+2Na"	45.978436
"1127167"	466.962468	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2Na"	45.978436
"1411786"	311.644070666667	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H+2Na"	46.985712
"1443173"	934.959246	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H+HCOOH"	47.012746
"233962"	915.96874	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+3H2O+2H"	56.04448
"1518378"	949.01129	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+IsoProp+H"	61.06479
"413690"	918.922688	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+Na+K"	61.952376
"774686"	1362.895938	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+Na+K"	61.952376
"1668100"	474.949438	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Na+K"	61.952376
"251488"	1839.908768	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+ACN+Na"	64.015768
"1226228"	951.962268	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+ACN+Na"	64.015768
"1714023"	951.985793	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+NH4+HCOOH"	64.039293
"1185578"	318.971384666667	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+3Na"	68.967654
"1657660"	956.941188	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Na+HCOOH"	68.994688
"171816"	1852.81204	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+2K-H"	76.91904
"609186"	2740.75854	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+2K-H"	76.91904
"1096251"	964.86554	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2K-H"	76.91904
"153071"	926.909658	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"2M+2K"	77.926316
"596648"	1370.882908	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"3M+2K"	77.926316
"1078237"	482.936408	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2K"	77.926316
"1111447"	966.880092	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2K+H"	78.933592
"1343459"	966.967707	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+DMSO+H"	79.021207
"1015270"	971.006876	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2ACN+H"	83.060376
"1532302"	972.000508	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+IsoProp+Na+H"	84.054008
"1000938"	486.007076	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+2ACN+2H"	84.067652
"1596533"	972.915128	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+K+HCOOH"	84.968628
"1422194"	1002.946638	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+H+CF3COOH"	115.000138
"1157949"	506.520351	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+3ACN+2H"	125.094202
"1705312"	1019.973185	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+NH4+CF3COOH"	132.026685
"1636592"	1024.92858	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+Na+CF3COOH"	136.98208
"1571513"	1040.90252	"C19382"	"D and C Red No 9;CI Pigment Red 53"	"(C17H12ClN2O4S)2Ba"	"887.9465"	"M+K+CF3COOH"	152.95602
"808081"	949.1783	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M"	0
"982708"	930.15991	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-H2O-H"	-19.01839
"75325"	631.778257333333	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M-3H"	-3.021828
"515615"	948.171024	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M-3H"	-3.021828
"890865"	315.385490666667	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-3H"	-3.021828
"13814"	948.171024	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M-2H"	-2.014552
"450821"	1422.760174	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M-2H"	-2.014552
"830813"	473.581874	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-2H"	-2.014552
"93805"	1897.349324	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M-H"	-1.007276
"518827"	2846.527624	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M-H"	-1.007276
"902707"	948.171024	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-H"	-1.007276
"54893"	1914.375871	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M-2H+NH4"	16.019271
"487212"	2863.554171	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M-2H+NH4"	16.019271
"872256"	965.197571	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-2H+NH4"	16.019271
"37969"	1919.331266	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M-2H+Na"	20.974666
"478622"	2868.509566	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M-2H+Na"	20.974666
"863357"	970.152966	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-2H+Na"	20.974666
"1633627"	970.152966	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Na-2H"	20.974666
"109302"	966.159363	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M-H+Cl"	33.962126
"548255"	1440.748513	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M-H+Cl"	33.962126
"942426"	491.570213	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-H+Cl"	33.962126
"279594"	1933.326002	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+Cl"	34.969402
"670924"	2882.504302	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+Cl"	34.969402
"1281140"	984.147702	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Cl"	34.969402
"30260"	1935.305206	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M-2H+K"	36.948606
"470182"	2884.483506	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M-2H+K"	36.948606
"843245"	986.126906	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-2H+K"	36.948606
"1557012"	986.126906	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+K-2H"	36.948606
"948054"	994.176494	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-H+HCOOH"	44.998194
"366269"	1943.354801	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+HCOOH-H"	44.998201
"352339"	1957.370451	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+Hac-H"	59.013851
"1497896"	1008.192151	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Hac-H"	59.013851
"970549"	1016.158451	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-H+NaCOOH"	66.980151
"119090"	984.147702	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+2Cl"	69.938804
"562297"	1458.736852	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+2Cl"	69.938804
"1031824"	509.558552	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2Cl"	69.938804
"1252860"	1028.097185	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Br"	78.918885
"1313484"	1030.153172	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Cl+HCOOH"	80.974872
"1324420"	1052.135129	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Cl+NaCOOH"	102.956829
"922042"	1062.163886	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M-H+CF3COOH"	112.985586
"1301305"	1098.140564	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Cl+CF3COOH"	148.962264
"1379100"	914.165624	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H-2H2O"	-35.012676
"1392952"	932.1756	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H-H2O"	-17.0027
"293732"	1899.363876	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+H"	1.007276
"687612"	2848.542176	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+H"	1.007276
"1364325"	950.185576	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H"	1.007276
"140374"	950.185576	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+2H"	2.014552
"577871"	1424.774726	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+2H"	2.014552
"1048855"	475.596426	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2H"	2.014552
"212020"	633.792809333333	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+3H"	3.021828
"646113"	950.185576	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+3H"	3.021828
"1163017"	317.400042666667	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+3H"	3.021828
"427511"	1916.390423	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+NH4"	18.033823
"785952"	2865.568723	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+NH4"	18.033823
"1684836"	967.212123	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+NH4"	18.033823
"335302"	958.6988495	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+H+NH4"	19.041099
"726629"	1433.2879995	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+H+NH4"	19.041099
"1480451"	484.1096995	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H+NH4"	19.041099
"400224"	1921.345818	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+Na"	22.989218
"765597"	2870.524118	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+Na"	22.989218
"1618365"	972.167518	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Na"	22.989218
"329569"	961.176547	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+H+Na"	23.996494
"720530"	1435.765697	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+H+Na"	23.996494
"1476420"	486.587397	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H+Na"	23.996494
"1067475"	324.727356666667	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2H+Na"	25.00377
"1269274"	982.211786	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+CH3OH+H"	33.033486
"386756"	1937.319758	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+K"	38.963158
"742648"	2886.498058	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+K"	38.963158
"1547617"	988.141458	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+K"	38.963158
"305887"	969.163517	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+H+K"	39.970434
"699402"	1443.752667	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+H+K"	39.970434
"1460154"	494.574367	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H+K"	39.970434
"246198"	1940.390426	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+ACN+H"	42.033826
"1220001"	991.212126	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+ACN+H"	42.033826
"1196956"	496.109701	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+ACN+2H"	43.041102
"194566"	1943.32776	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+2Na-H"	44.97116
"633397"	2892.50606	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+2Na-H"	44.97116
"1138729"	994.14946	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2Na-H"	44.97116
"177645"	972.167518	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+2Na"	45.978436
"620491"	1446.756668	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+2Na"	45.978436
"1123997"	497.578368	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2Na"	45.978436
"1410438"	332.054670666667	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H+2Na"	46.985712
"1435261"	996.191046	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H+HCOOH"	47.012746
"231156"	977.20054	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+3H2O+2H"	56.04448
"1518488"	1010.24309	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+IsoProp+H"	61.06479
"415987"	980.154488	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+Na+K"	61.952376
"778076"	1454.743638	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+Na+K"	61.952376
"1671126"	505.565338	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Na+K"	61.952376
"252904"	1962.372368	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+ACN+Na"	64.015768
"1228167"	1013.194068	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+ACN+Na"	64.015768
"1719239"	1013.217593	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+NH4+HCOOH"	64.039293
"1185688"	339.381984666667	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+3Na"	68.967654
"1657770"	1018.172988	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Na+HCOOH"	68.994688
"170832"	1975.27564	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+2K-H"	76.91904
"607474"	2924.45394	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+2K-H"	76.91904
"1096362"	1026.09734	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2K-H"	76.91904
"147714"	988.141458	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"2M+2K"	77.926316
"596961"	1462.730608	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"3M+2K"	77.926316
"1079441"	513.552308	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2K"	77.926316
"1110464"	1028.111892	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2K+H"	78.933592
"1350008"	1028.199507	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+DMSO+H"	79.021207
"1014286"	1032.238676	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2ACN+H"	83.060376
"1529132"	1033.232308	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+IsoProp+Na+H"	84.054008
"1002140"	516.622976	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+2ACN+2H"	84.067652
"1596643"	1034.146928	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+K+HCOOH"	84.968628
"1425585"	1064.178438	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+H+CF3COOH"	115.000138
"1160248"	537.136251	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+3ACN+2H"	125.094202
"1704331"	1081.204985	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+NH4+CF3COOH"	132.026685
"1636702"	1086.16038	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+Na+CF3COOH"	136.98208
"1571986"	1102.13432	"C19383"	"Decabromodiphenyl oxide"	"C12Br10O"	"949.1783"	"M+K+CF3COOH"	152.95602
"808191"	153.0538	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M"	0
"983911"	134.03541	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H2O-H"	-19.01839
"74340"	101.028590666667	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-3H"	-3.021828
"513902"	152.046524	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-3H"	-3.021828
"888422"	50.0106573333333	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-3H"	-3.021828
"6996"	152.046524	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H"	-2.014552
"449837"	228.573424	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H"	-2.014552
"826548"	75.519624	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H"	-2.014552
"88726"	305.100324	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-H"	-1.007276
"520641"	458.154124	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-H"	-1.007276
"902817"	152.046524	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H"	-1.007276
"51723"	322.126871	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H+NH4"	16.019271
"487224"	475.180671	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H+NH4"	16.019271
"870178"	169.073071	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H+NH4"	16.019271
"34798"	327.082266	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H+Na"	20.974666
"471926"	480.136066	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H+Na"	20.974666
"863103"	174.028466	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H+Na"	20.974666
"1633129"	174.028466	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na-2H"	20.974666
"108928"	170.034863	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-H+Cl"	33.962126
"549217"	246.561763	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-H+Cl"	33.962126
"942696"	93.507963	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+Cl"	33.962126
"277883"	341.077002	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Cl"	34.969402
"671036"	494.130802	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+Cl"	34.969402
"1283439"	188.023202	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl"	34.969402
"27089"	343.056206	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H+K"	36.948606
"465919"	496.110006	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H+K"	36.948606
"842262"	190.002406	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H+K"	36.948606
"1560281"	190.002406	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K-2H"	36.948606
"949260"	198.051994	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+HCOOH"	44.998194
"363465"	351.105801	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+HCOOH-H"	44.998201
"348079"	365.121451	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Hac-H"	59.013851
"1498006"	212.067651	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Hac-H"	59.013851
"969930"	220.033951	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+NaCOOH"	66.980151
"121023"	188.023202	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2Cl"	69.938804
"564231"	264.550102	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2Cl"	69.938804
"1032298"	111.496302	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2Cl"	69.938804
"1252971"	231.972685	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Br"	78.918885
"1310315"	234.028672	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl+HCOOH"	80.974872
"1328906"	256.010629	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl+NaCOOH"	102.956829
"922152"	266.039386	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+CF3COOH"	112.985586
"1302873"	302.016064	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl+CF3COOH"	148.962264
"1381278"	118.041124	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H-2H2O"	-35.012676
"1396706"	136.0511	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H-H2O"	-17.0027
"293113"	307.114876	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H"	1.007276
"683348"	460.168676	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H"	1.007276
"1366381"	154.061076	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H"	1.007276
"139148"	154.061076	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2H"	2.014552
"579074"	230.587976	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2H"	2.014552
"1048965"	77.534176	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2H"	2.014552
"212126"	103.043142666667	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+3H"	3.021828
"645129"	154.061076	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+3H"	3.021828
"1163086"	52.0252093333333	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+3H"	3.021828
"426164"	324.141423	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+NH4"	18.033823
"786171"	477.195223	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+NH4"	18.033823
"1684946"	171.087623	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+NH4"	18.033823
"335412"	162.5743495	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H+NH4"	19.041099
"726739"	239.1012495	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H+NH4"	19.041099
"1481654"	86.0474495	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+NH4"	19.041099
"400334"	329.096818	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Na"	22.989218
"767165"	482.150618	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+Na"	22.989218
"1617214"	176.043018	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na"	22.989218
"328465"	165.052047	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H+Na"	23.996494
"719547"	241.578947	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H+Na"	23.996494
"1476288"	88.525147	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+Na"	23.996494
"1065520"	59.3525233333333	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2H+Na"	25.00377
"1267198"	186.087286	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+CH3OH+H"	33.033486
"386866"	345.070758	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+K"	38.963158
"742758"	498.124558	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+K"	38.963158
"1547727"	192.016958	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K"	38.963158
"307090"	173.039017	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H+K"	39.970434
"702791"	249.565917	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H+K"	39.970434
"1455522"	96.512117	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+K"	39.970434
"246309"	348.141426	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+ACN+H"	42.033826
"1220112"	195.087626	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+ACN+H"	42.033826
"1201805"	98.047451	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+ACN+2H"	43.041102
"195770"	351.07876	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2Na-H"	44.97116
"636425"	504.13256	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2Na-H"	44.97116
"1141026"	198.02496	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2Na-H"	44.97116
"179942"	176.043018	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2Na"	45.978436
"620601"	252.569918	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2Na"	45.978436
"1124107"	99.516118	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2Na"	45.978436
"1409818"	66.6798373333333	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+2Na"	46.985712
"1434278"	200.066546	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+HCOOH"	47.012746
"228348"	181.07604	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+3H2O+2H"	56.04448
"1514223"	214.11859	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+IsoProp+H"	61.06479
"413910"	184.029988	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Na+K"	61.952376
"773811"	260.556888	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+Na+K"	61.952376
"1668320"	107.503088	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na+K"	61.952376
"251509"	370.123368	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+ACN+Na"	64.015768
"1229370"	217.069568	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+ACN+Na"	64.015768
"1716433"	217.093093	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+NH4+HCOOH"	64.039293
"1185798"	74.0071513333333	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+3Na"	68.967654
"1657880"	222.048488	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na+HCOOH"	68.994688
"172281"	383.02664	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2K-H"	76.91904
"609771"	536.08044	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2K-H"	76.91904
"1097565"	229.97284	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2K-H"	76.91904
"156088"	192.016958	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2K"	77.926316
"596381"	268.543858	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2K"	77.926316
"1082711"	115.490058	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2K"	77.926316
"1112760"	231.987392	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2K+H"	78.933592
"1349996"	232.075007	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+DMSO+H"	79.021207
"1018770"	236.114176	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2ACN+H"	83.060376
"1532522"	237.107808	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+IsoProp+Na+H"	84.054008
"1002252"	118.560726	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2ACN+2H"	84.067652
"1596754"	238.022428	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K+HCOOH"	84.968628
"1423508"	268.053938	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+CF3COOH"	115.000138
"1158172"	139.074001	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+3ACN+2H"	125.094202
"1707721"	285.080485	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+NH4+CF3COOH"	132.026685
"1636812"	290.03588	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na+CF3COOH"	136.98208
"1572462"	306.00982	"C19384"	"12-Diamino-4-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K+CF3COOH"	152.95602
"808301"	153.0538	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M"	0
"984020"	134.03541	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H2O-H"	-19.01839
"71169"	101.028590666667	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-3H"	-3.021828
"514011"	152.046524	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-3H"	-3.021828
"889623"	50.0106573333333	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-3H"	-3.021828
"3824"	152.046524	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H"	-2.014552
"447758"	228.573424	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H"	-2.014552
"828844"	75.519624	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H"	-2.014552
"84461"	305.100324	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-H"	-1.007276
"521843"	458.154124	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-H"	-1.007276
"899646"	152.046524	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H"	-1.007276
"54020"	322.126871	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H+NH4"	16.019271
"487381"	475.180671	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H+NH4"	16.019271
"870288"	169.073071	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H+NH4"	16.019271
"38189"	327.082266	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H+Na"	20.974666
"473010"	480.136066	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H+Na"	20.974666
"863097"	174.028466	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H+Na"	20.974666
"1633240"	174.028466	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na-2H"	20.974666
"108430"	170.034863	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-H+Cl"	33.962126
"549535"	246.561763	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-H+Cl"	33.962126
"942607"	93.507963	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+Cl"	33.962126
"279452"	341.077002	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Cl"	34.969402
"673696"	494.130802	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+Cl"	34.969402
"1284642"	188.023202	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl"	34.969402
"26469"	343.056206	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M-2H+K"	36.948606
"467122"	496.110006	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M-2H+K"	36.948606
"845288"	190.002406	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-2H+K"	36.948606
"1559298"	190.002406	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K-2H"	36.948606
"950463"	198.051994	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+HCOOH"	44.998194
"366490"	351.105801	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+HCOOH-H"	44.998201
"351832"	365.121451	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Hac-H"	59.013851
"1498116"	212.067651	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Hac-H"	59.013851
"969675"	220.033951	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+NaCOOH"	66.980151
"121862"	188.023202	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2Cl"	69.938804
"562155"	264.550102	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2Cl"	69.938804
"1029492"	111.496302	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2Cl"	69.938804
"1253080"	231.972685	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Br"	78.918885
"1307145"	234.028672	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl+HCOOH"	80.974872
"1326829"	256.010629	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl+NaCOOH"	102.956829
"922262"	266.039386	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M-H+CF3COOH"	112.985586
"1300795"	302.016064	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Cl+CF3COOH"	148.962264
"1379320"	118.041124	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H-2H2O"	-35.012676
"1397911"	136.0511	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H-H2O"	-17.0027
"295046"	307.114876	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H"	1.007276
"685645"	460.168676	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H"	1.007276
"1366005"	154.061076	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H"	1.007276
"139988"	154.061076	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2H"	2.014552
"580764"	230.587976	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2H"	2.014552
"1048711"	77.534176	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2H"	2.014552
"214423"	103.043142666667	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+3H"	3.021828
"646698"	154.061076	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+3H"	3.021828
"1163604"	52.0252093333333	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+3H"	3.021828
"431013"	324.141423	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+NH4"	18.033823
"785845"	477.195223	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+NH4"	18.033823
"1685056"	171.087623	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+NH4"	18.033823
"337708"	162.5743495	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H+NH4"	19.041099
"727942"	239.1012495	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H+NH4"	19.041099
"1481764"	86.0474495	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+NH4"	19.041099
"400444"	329.096818	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Na"	22.989218
"768368"	482.150618	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+Na"	22.989218
"1616839"	176.043018	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na"	22.989218
"323955"	165.052047	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H+Na"	23.996494
"718563"	241.578947	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H+Na"	23.996494
"1475550"	88.525147	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+Na"	23.996494
"1064537"	59.3525233333333	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2H+Na"	25.00377
"1267308"	186.087286	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+CH3OH+H"	33.033486
"385883"	345.070758	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+K"	38.963158
"751252"	498.124558	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+K"	38.963158
"1551119"	192.016958	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K"	38.963158
"307200"	173.039017	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+H+K"	39.970434
"702901"	249.565917	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+H+K"	39.970434
"1455632"	96.512117	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+K"	39.970434
"247513"	348.141426	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+ACN+H"	42.033826
"1222410"	195.087626	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+ACN+H"	42.033826
"1204104"	98.047451	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+ACN+2H"	43.041102
"195882"	351.07876	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2Na-H"	44.97116
"635442"	504.13256	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2Na-H"	44.97116
"1132388"	198.02496	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2Na-H"	44.97116
"177865"	176.043018	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2Na"	45.978436
"621800"	252.569918	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2Na"	45.978436
"1124217"	99.516118	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2Na"	45.978436
"1407741"	66.6798373333333	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+2Na"	46.985712
"1434388"	200.066546	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+HCOOH"	47.012746
"226271"	181.07604	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+3H2O+2H"	56.04448
"1517613"	214.11859	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+IsoProp+H"	61.06479
"414020"	184.029988	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+Na+K"	61.952376
"773921"	260.556888	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+Na+K"	61.952376
"1672440"	107.503088	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na+K"	61.952376
"253491"	370.123368	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+ACN+Na"	64.015768
"1229480"	217.069568	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+ACN+Na"	64.015768
"1719460"	217.093093	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+NH4+HCOOH"	64.039293
"1191377"	74.0071513333333	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+3Na"	68.967654
"1660177"	222.048488	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na+HCOOH"	68.994688
"172147"	383.02664	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2K-H"	76.91904
"610979"	536.08044	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2K-H"	76.91904
"1096582"	229.97284	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2K-H"	76.91904
"156566"	192.016958	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"2M+2K"	77.926316
"596613"	268.543858	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"3M+2K"	77.926316
"1082822"	115.490058	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2K"	77.926316
"1114818"	231.987392	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2K+H"	78.933592
"1348164"	232.075007	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+DMSO+H"	79.021207
"1013413"	236.114176	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2ACN+H"	83.060376
"1528259"	237.107808	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+IsoProp+Na+H"	84.054008
"996893"	118.560726	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+2ACN+2H"	84.067652
"1594678"	238.022428	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K+HCOOH"	84.968628
"1423618"	268.053938	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+H+CF3COOH"	115.000138
"1151718"	139.074001	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+3ACN+2H"	125.094202
"1702364"	285.080485	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+NH4+CF3COOH"	132.026685
"1643478"	290.03588	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+Na+CF3COOH"	136.98208
"1575852"	306.00982	"C19385"	"14-Diamino-2-nitrobenzene"	"C6H7N3O2"	"153.0538"	"M+K+CF3COOH"	152.95602
"808411"	122.0844	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M"	0
"983037"	103.06601	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-H2O-H"	-19.01839
"72373"	80.382324	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M-3H"	-3.021828
"516307"	121.077124	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M-3H"	-3.021828
"889733"	39.687524	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-3H"	-3.021828
"3934"	121.077124	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M-2H"	-2.014552
"447868"	182.119324	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M-2H"	-2.014552
"826767"	60.034924	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-2H"	-2.014552
"84571"	243.161524	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M-H"	-1.007276
"521953"	365.245924	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M-H"	-1.007276
"903036"	121.077124	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-H"	-1.007276
"55223"	260.188071	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M-2H+NH4"	16.019271
"487611"	382.272471	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M-2H+NH4"	16.019271
"870398"	138.103671	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-2H+NH4"	16.019271
"38299"	265.143466	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M-2H+Na"	20.974666
"473606"	387.227866	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M-2H+Na"	20.974666
"863609"	143.059066	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-2H+Na"	20.974666
"1633353"	143.059066	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Na-2H"	20.974666
"108908"	139.065463	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M-H+Cl"	33.962126
"549320"	200.107663	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M-H+Cl"	33.962126
"942353"	78.023263	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-H+Cl"	33.962126
"281513"	279.138202	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+Cl"	34.969402
"673806"	401.222602	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+Cl"	34.969402
"1283659"	157.053802	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Cl"	34.969402
"24392"	281.117406	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M-2H+K"	36.948606
"467596"	403.201806	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M-2H+K"	36.948606
"841388"	159.033006	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-2H+K"	36.948606
"1563786"	159.033006	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+K-2H"	36.948606
"949478"	167.082594	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-H+HCOOH"	44.998194
"364779"	289.167001	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+HCOOH-H"	44.998201
"349028"	303.182651	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+Hac-H"	59.013851
"1498228"	181.098251	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Hac-H"	59.013851
"970513"	189.064551	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-H+NaCOOH"	66.980151
"121973"	157.053802	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+2Cl"	69.938804
"556432"	218.096002	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+2Cl"	69.938804
"1032883"	96.011602	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2Cl"	69.938804
"1244809"	201.003285	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Br"	78.918885
"1310536"	203.059272	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Cl+HCOOH"	80.974872
"1330222"	225.041229	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Cl+NaCOOH"	102.956829
"923467"	235.069986	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M-H+CF3COOH"	112.985586
"1302362"	271.046664	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Cl+CF3COOH"	148.962264
"1381617"	87.071724	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H-2H2O"	-35.012676
"1398454"	105.0817	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H-H2O"	-17.0027
"296613"	245.176076	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+H"	1.007276
"690130"	367.260476	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+H"	1.007276
"1365751"	123.091676	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H"	1.007276
"139368"	123.091676	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+2H"	2.014552
"579659"	184.133876	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+2H"	2.014552
"1049912"	62.049476	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2H"	2.014552
"215626"	82.396876	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+3H"	3.021828
"646807"	123.091676	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+3H"	3.021828
"1163597"	41.702076	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+3H"	3.021828
"430030"	262.202623	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+NH4"	18.033823
"787742"	384.287023	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+NH4"	18.033823
"1682370"	140.118223	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+NH4"	18.033823
"336725"	131.6049495	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+H+NH4"	19.041099
"725866"	192.6471495	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+H+NH4"	19.041099
"1480781"	70.5627495	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H+NH4"	19.041099
"401647"	267.158018	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+Na"	22.989218
"765925"	389.242418	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+Na"	22.989218
"1616943"	145.073618	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Na"	22.989218
"326251"	134.082647	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+H+Na"	23.996494
"718672"	195.124847	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+H+Na"	23.996494
"1475410"	73.040447	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H+Na"	23.996494
"1067563"	49.02939	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2H+Na"	25.00377
"1271427"	155.117886	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+CH3OH+H"	33.033486
"387086"	283.131958	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+K"	38.963158
"749175"	405.216358	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+K"	38.963158
"1553415"	161.047558	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+K"	38.963158
"307310"	142.069617	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+H+K"	39.970434
"696449"	203.111817	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+H+K"	39.970434
"1456832"	81.027417	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H+K"	39.970434
"247622"	286.202626	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+ACN+H"	42.033826
"1222518"	164.118226	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+ACN+H"	42.033826
"1203119"	82.562751	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+ACN+2H"	43.041102
"198178"	289.13996	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+2Na-H"	44.97116
"631178"	411.22436	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+2Na-H"	44.97116
"1132862"	167.05556	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2Na-H"	44.97116
"177975"	145.073618	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+2Na"	45.978436
"621910"	206.115818	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+2Na"	45.978436
"1122136"	84.031418	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2Na"	45.978436
"1405660"	56.356704	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H+2Na"	46.985712
"1432311"	169.097146	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H+HCOOH"	47.012746
"225286"	150.10664	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+3H2O+2H"	56.04448
"1514443"	183.14919	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+IsoProp+H"	61.06479
"414130"	153.060588	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+Na+K"	61.952376
"774031"	214.102788	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+Na+K"	61.952376
"1672550"	92.018388	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Na+K"	61.952376
"253601"	308.184568	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+ACN+Na"	64.015768
"1228496"	186.100168	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+ACN+Na"	64.015768
"1720663"	186.123693	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+NH4+HCOOH"	64.039293
"1191123"	63.684018	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+3Na"	68.967654
"1660287"	191.079088	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Na+HCOOH"	68.994688
"170434"	321.08784	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+2K-H"	76.91904
"611818"	443.17224	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+2K-H"	76.91904
"1096692"	199.00344	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2K-H"	76.91904
"156309"	161.047558	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"2M+2K"	77.926316
"595625"	222.089758	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"3M+2K"	77.926316
"1080866"	100.005358	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2K"	77.926316
"1114078"	201.017992	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2K+H"	78.933592
"1350099"	201.105607	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+DMSO+H"	79.021207
"1011337"	205.144776	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2ACN+H"	83.060376
"1527638"	206.138408	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+IsoProp+Na+H"	84.054008
"995909"	103.076026	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+2ACN+2H"	84.067652
"1595881"	207.053028	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+K+HCOOH"	84.968628
"1422635"	237.084538	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+H+CF3COOH"	115.000138
"1151828"	123.589301	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+3ACN+2H"	125.094202
"1702474"	254.111085	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+NH4+CF3COOH"	132.026685
"1643588"	259.06648	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+Na+CF3COOH"	136.98208
"1575962"	275.04042	"C19386"	"25-Diaminotoluene;2-Methyl-14-benzenediamine"	"C7H10N2"	"122.0844"	"M+K+CF3COOH"	152.95602
"808521"	42.0218	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M"	0
"985333"	23.00341	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-H2O-H"	-19.01839
"73577"	27.0072573333333	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M-3H"	-3.021828
"516418"	41.014524	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M-3H"	-3.021828
"892030"	12.9999906666667	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-3H"	-3.021828
"7324"	41.014524	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M-2H"	-2.014552
"451258"	62.025424	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M-2H"	-2.014552
"822502"	20.003624	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-2H"	-2.014552
"84681"	83.036324	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M-H"	-1.007276
"522063"	125.058124	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M-H"	-1.007276
"899865"	41.014524	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-H"	-1.007276
"49013"	100.062871	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M-2H+NH4"	16.019271
"488695"	142.084671	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M-2H+NH4"	16.019271
"870508"	58.041071	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-2H+NH4"	16.019271
"39502"	105.018266	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M-2H+Na"	20.974666
"475781"	147.040066	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M-2H+Na"	20.974666
"861976"	62.996466	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-2H+Na"	20.974666
"1632850"	62.996466	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Na-2H"	20.974666
"109379"	59.002863	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M-H+Cl"	33.962126
"546506"	80.013763	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M-H+Cl"	33.962126
"942621"	37.991963	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-H+Cl"	33.962126
"282758"	119.013002	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+Cl"	34.969402
"674281"	161.034802	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+Cl"	34.969402
"1281582"	76.991202	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Cl"	34.969402
"25230"	120.992206	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M-2H+K"	36.948606
"465884"	163.014006	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M-2H+K"	36.948606
"842591"	78.970406	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-2H+K"	36.948606
"1559523"	78.970406	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+K-2H"	36.948606
"952867"	87.019994	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-H+HCOOH"	44.998194
"368898"	129.041801	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+HCOOH-H"	44.998201
"350231"	143.057451	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+Hac-H"	59.013851
"1498337"	101.035651	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Hac-H"	59.013851
"966976"	109.001951	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-H+NaCOOH"	66.980151
"116978"	76.991202	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+2Cl"	69.938804
"554353"	98.002102	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+2Cl"	69.938804
"1023152"	55.980302	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2Cl"	69.938804
"1246010"	120.940685	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Br"	78.918885
"1308460"	122.996672	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Cl+HCOOH"	80.974872
"1321946"	144.978629	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Cl+NaCOOH"	102.956829
"919200"	155.007386	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M-H+CF3COOH"	112.985586
"1295907"	190.984064	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Cl+CF3COOH"	148.962264
"1376257"	7.009124	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H-2H2O"	-35.012676
"1394847"	25.0191	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H-H2O"	-17.0027
"296356"	85.050876	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+H"	1.007276
"686590"	127.072676	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+H"	1.007276
"1365491"	43.029076	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H"	1.007276
"135099"	43.029076	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+2H"	2.014552
"575753"	64.039976	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+2H"	2.014552
"1044552"	22.018176	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2H"	2.014552
"209176"	29.0218093333333	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+3H"	3.021828
"647648"	43.029076	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+3H"	3.021828
"1163586"	15.0145426666667	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+3H"	3.021828
"430140"	102.077423	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+NH4"	18.033823
"786025"	144.099223	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+NH4"	18.033823
"1685276"	60.055623	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+NH4"	18.033823
"334648"	51.5423495	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+H+NH4"	19.041099
"728162"	72.5532495	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+H+NH4"	19.041099
"1481984"	30.5314495	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H+NH4"	19.041099
"400664"	107.032818	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+Na"	22.989218
"766035"	149.054618	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+Na"	22.989218
"1615961"	65.011018	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Na"	22.989218
"326361"	54.020047	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+H+Na"	23.996494
"720605"	75.030947	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+H+Na"	23.996494
"1476860"	33.009147	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H+Na"	23.996494
"1067430"	22.3418566666667	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2H+Na"	25.00377
"1271173"	75.055286	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+CH3OH+H"	33.033486
"387196"	123.006758	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+K"	38.963158
"749285"	165.028558	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+K"	38.963158
"1553525"	80.984958	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+K"	38.963158
"307420"	62.007017	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+H+K"	39.970434
"700931"	83.017917	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+H+K"	39.970434
"1459129"	40.996117	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H+K"	39.970434
"250405"	126.077426	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+ACN+H"	42.033826
"1224450"	84.055626	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+ACN+H"	42.033826
"1206509"	42.531451	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+ACN+2H"	43.041102
"200839"	129.01476	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+2Na-H"	44.97116
"630558"	171.03656	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+2Na-H"	44.97116
"1135888"	86.99296	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2Na-H"	44.97116
"178085"	65.011018	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+2Na"	45.978436
"622020"	86.021918	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+2Na"	45.978436
"1122246"	44.000118	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2Na"	45.978436
"1405770"	29.6691706666667	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H+2Na"	46.985712
"1432785"	89.034546	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H+HCOOH"	47.012746
"222116"	70.04404	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+3H2O+2H"	56.04448
"1515646"	103.08659	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+IsoProp+H"	61.06479
"415333"	72.997988	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+Na+K"	61.952376
"775234"	94.008888	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+Na+K"	61.952376
"1668282"	51.987088	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Na+K"	61.952376
"256988"	148.059368	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+ACN+Na"	64.015768
"1232978"	106.037568	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+ACN+Na"	64.015768
"1718584"	106.061093	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+NH4+HCOOH"	64.039293
"1190503"	36.9964846666667	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+3Na"	68.967654
"1660397"	111.016488	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Na+HCOOH"	68.994688
"171273"	160.96264	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+2K-H"	76.91904
"612292"	202.98444	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+2K-H"	76.91904
"1098504"	118.94084	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2K-H"	76.91904
"155089"	80.984958	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"2M+2K"	77.926316
"594891"	101.995858	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"3M+2K"	77.926316
"1080976"	59.974058	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2K"	77.926316
"1114186"	120.955392	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2K+H"	78.933592
"1348385"	121.043007	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+DMSO+H"	79.021207
"1010354"	125.082176	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2ACN+H"	83.060376
"1531759"	126.075808	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+IsoProp+Na+H"	84.054008
"1000393"	63.044726	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+2ACN+2H"	84.067652
"1595991"	126.990428	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+K+HCOOH"	84.968628
"1423838"	157.021938	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+H+CF3COOH"	115.000138
"1159592"	83.558001	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+3ACN+2H"	125.094202
"1705864"	174.048485	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+NH4+CF3COOH"	132.026685
"1643698"	179.00388	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+Na+CF3COOH"	136.98208
"1578259"	194.97782	"C19387"	"Diazomethane"	"CH2N2"	"42.0218"	"M+K+CF3COOH"	152.95602
"808631"	278.1096	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M"	0
"983257"	259.09121	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-H2O-H"	-19.01839
"73687"	184.399124	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M-3H"	-3.021828
"515435"	277.102324	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M-3H"	-3.021828
"888863"	91.695924	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-3H"	-3.021828
"8529"	277.102324	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M-2H"	-2.014552
"452463"	416.157124	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M-2H"	-2.014552
"822612"	138.047524	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-2H"	-2.014552
"79687"	555.211924	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M-H"	-1.007276
"525453"	833.321524	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M-H"	-1.007276
"899975"	277.102324	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-H"	-1.007276
"48882"	572.238471	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M-2H+NH4"	16.019271
"488562"	850.348071	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M-2H+NH4"	16.019271
"873901"	294.128871	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-2H+NH4"	16.019271
"38520"	577.193866	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M-2H+Na"	20.974666
"482453"	855.303466	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M-2H+Na"	20.974666
"860626"	299.084266	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-2H+Na"	20.974666
"1633325"	299.084266	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Na-2H"	20.974666
"107787"	295.090663	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M-H+Cl"	33.962126
"545158"	434.145463	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M-H+Cl"	33.962126
"938309"	156.035863	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-H+Cl"	33.962126
"282499"	591.188602	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+Cl"	34.969402
"674635"	869.298202	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+Cl"	34.969402
"1281692"	313.079002	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Cl"	34.969402
"26435"	593.167806	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M-2H+K"	36.948606
"468181"	871.277406	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M-2H+K"	36.948606
"845254"	315.058206	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-2H+K"	36.948606
"1567288"	315.058206	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+K-2H"	36.948606
"951889"	323.107794	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-H+HCOOH"	44.998194
"365362"	601.217401	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+HCOOH-H"	44.998201
"352892"	615.233051	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+Hac-H"	59.013851
"1499541"	337.123451	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Hac-H"	59.013851
"969275"	345.089751	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-H+NaCOOH"	66.980151
"117088"	313.079002	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+2Cl"	69.938804
"558839"	452.133802	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+2Cl"	69.938804
"1029822"	174.024202	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2Cl"	69.938804
"1250494"	357.028485	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Br"	78.918885
"1310757"	359.084472	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Cl+HCOOH"	80.974872
"1327159"	381.066429	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Cl+NaCOOH"	102.956829
"922590"	391.095186	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M-H+CF3COOH"	112.985586
"1300027"	427.071864	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Cl+CF3COOH"	148.962264
"1376367"	243.096924	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H-2H2O"	-35.012676
"1397874"	261.1069	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H-H2O"	-17.0027
"295373"	557.226476	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+H"	1.007276
"687064"	835.336076	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+H"	1.007276
"1365603"	279.116876	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H"	1.007276
"138856"	279.116876	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+2H"	2.014552
"578052"	418.171676	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+2H"	2.014552
"1049766"	140.062076	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2H"	2.014552
"210380"	186.413676	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+3H"	3.021828
"646663"	279.116876	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+3H"	3.021828
"1163087"	93.710476	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+3H"	3.021828
"425996"	574.253023	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+NH4"	18.033823
"785763"	852.362623	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+NH4"	18.033823
"1683199"	296.143423	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+NH4"	18.033823
"330623"	287.6301495	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+H+NH4"	19.041099
"723652"	426.6849495	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+H+NH4"	19.041099
"1481001"	148.5753495	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H+NH4"	19.041099
"400774"	579.208418	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+Na"	22.989218
"766144"	857.318018	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+Na"	22.989218
"1617527"	301.098818	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Na"	22.989218
"326471"	290.107847	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+H+Na"	23.996494
"721080"	429.162647	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+H+Na"	23.996494
"1476324"	151.053047	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H+Na"	23.996494
"1067422"	101.03779	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2H+Na"	25.00377
"1271893"	311.143086	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+CH3OH+H"	33.033486
"390224"	595.182358	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+K"	38.963158
"751949"	873.291958	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+K"	38.963158
"1552911"	317.072758	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+K"	38.963158
"307530"	298.094817	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+H+K"	39.970434
"702138"	437.149617	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+H+K"	39.970434
"1459972"	159.040017	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H+K"	39.970434
"249664"	598.253026	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+ACN+H"	42.033826
"1218368"	320.143426	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+ACN+H"	42.033826
"1206257"	160.575351	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+ACN+2H"	43.041102
"195118"	601.19036	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+2Na-H"	44.97116
"632492"	879.29996	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+2Na-H"	44.97116
"1131399"	323.08076	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2Na-H"	44.97116
"174915"	301.098818	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+2Na"	45.978436
"618850"	440.153618	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+2Na"	45.978436
"1126733"	162.044018	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2Na"	45.978436
"1406976"	108.365104	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H+2Na"	46.985712
"1433623"	325.122346	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H+HCOOH"	47.012746
"222590"	306.13184	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+3H2O+2H"	56.04448
"1514663"	339.17439	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+IsoProp+H"	61.06479
"415443"	309.085788	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+Na+K"	61.952376
"776439"	448.140588	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+Na+K"	61.952376
"1671675"	170.030988	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Na+K"	61.952376
"258193"	620.234968	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+ACN+Na"	64.015768
"1233091"	342.125368	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+ACN+Na"	64.015768
"1718696"	342.148893	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+NH4+HCOOH"	64.039293
"1187333"	115.692418	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+3Na"	68.967654
"1665569"	347.104288	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Na+HCOOH"	68.994688
"172112"	633.13824	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+2K-H"	76.91904
"612611"	911.24784	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+2K-H"	76.91904
"1098735"	355.02864	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2K-H"	76.91904
"155562"	317.072758	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"2M+2K"	77.926316
"595851"	456.127558	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"3M+2K"	77.926316
"1081086"	178.017958	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2K"	77.926316
"1114540"	357.043192	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2K+H"	78.933592
"1348494"	357.130807	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+DMSO+H"	79.021207
"1012651"	361.169976	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2ACN+H"	83.060376
"1531869"	362.163608	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+IsoProp+Na+H"	84.054008
"1000503"	181.088626	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+2ACN+2H"	84.067652
"1596100"	363.078228	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+K+HCOOH"	84.968628
"1423948"	393.109738	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+H+CF3COOH"	115.000138
"1157515"	201.601901	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+3ACN+2H"	125.094202
"1704881"	410.136285	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+NH4+CF3COOH"	132.026685
"1637252"	415.09168	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+Na+CF3COOH"	136.98208
"1572173"	431.06562	"C19388"	"Dibenzacanthracene;Benzobtriphenylene;Benzotriphenylene"	"C22H14"	"278.1096"	"M+K+CF3COOH"	152.95602
"807648"	278.1096	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M"	0
"984461"	259.09121	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-H2O-H"	-19.01839
"72704"	184.399124	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M-3H"	-3.021828
"515545"	277.102324	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M-3H"	-3.021828
"890066"	91.695924	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-3H"	-3.021828
"10825"	277.102324	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M-2H"	-2.014552
"451480"	416.157124	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M-2H"	-2.014552
"822720"	138.047524	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-2H"	-2.014552
"79067"	555.211924	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M-H"	-1.007276
"520093"	833.321524	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M-H"	-1.007276
"896438"	277.102324	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-H"	-1.007276
"53363"	572.238471	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M-2H+NH4"	16.019271
"488553"	850.348071	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M-2H+NH4"	16.019271
"872917"	294.128871	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-2H+NH4"	16.019271
"40817"	577.193866	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M-2H+Na"	20.974666
"481470"	855.303466	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M-2H+Na"	20.974666
"860006"	299.084266	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-2H+Na"	20.974666
"1633513"	299.084266	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Na-2H"	20.974666
"109355"	295.090663	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M-H+Cl"	33.962126
"546361"	434.145463	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M-H+Cl"	33.962126
"938783"	156.035863	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-H+Cl"	33.962126
"282406"	591.188602	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+Cl"	34.969402
"675356"	869.298202	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+Cl"	34.969402
"1287029"	313.079002	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Cl"	34.969402
"28368"	593.167806	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M-2H+K"	36.948606
"471209"	871.277406	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M-2H+K"	36.948606
"847917"	315.058206	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-2H+K"	36.948606
"1567398"	315.058206	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+K-2H"	36.948606
"951999"	323.107794	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-H+HCOOH"	44.998194
"366929"	601.217401	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+HCOOH-H"	44.998201
"351909"	615.233051	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+Hac-H"	59.013851
"1498558"	337.123451	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Hac-H"	59.013851
"966104"	345.089751	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-H+NaCOOH"	66.980151
"117198"	313.079002	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+2Cl"	69.938804
"560042"	452.133802	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+2Cl"	69.938804
"1028839"	174.024202	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2Cl"	69.938804
"1247324"	357.028485	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Br"	78.918885
"1305400"	359.084472	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Cl+HCOOH"	80.974872
"1327269"	381.066429	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Cl+NaCOOH"	102.956829
"922701"	391.095186	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M-H+CF3COOH"	112.985586
"1297222"	427.071864	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Cl+CF3COOH"	148.962264
"1379756"	243.096924	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H-2H2O"	-35.012676
"1395067"	261.1069	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H-H2O"	-17.0027
"297669"	557.226476	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+H"	1.007276
"686080"	835.336076	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+H"	1.007276
"1363159"	279.116876	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H"	1.007276
"137508"	279.116876	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+2H"	2.014552
"577069"	418.171676	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+2H"	2.014552
"1048054"	140.062076	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2H"	2.014552
"213770"	186.413676	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+3H"	3.021828
"644949"	279.116876	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+3H"	3.021828
"1163805"	93.710476	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+3H"	3.021828
"430359"	574.253023	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+NH4"	18.033823
"786250"	852.362623	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+NH4"	18.033823
"1681607"	296.143423	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+NH4"	18.033823
"333773"	287.6301495	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+H+NH4"	19.041099
"724007"	426.6849495	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+H+NH4"	19.041099
"1484391"	148.5753495	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H+NH4"	19.041099
"404164"	579.208418	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+Na"	22.989218
"758598"	857.318018	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+Na"	22.989218
"1617395"	301.098818	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Na"	22.989218
"324394"	290.107847	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+H+Na"	23.996494
"720827"	429.162647	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+H+Na"	23.996494
"1476229"	151.053047	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H+Na"	23.996494
"1067894"	101.03779	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2H+Na"	25.00377
"1271398"	311.143086	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+CH3OH+H"	33.033486
"391066"	595.182358	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+K"	38.963158
"750603"	873.291958	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+K"	38.963158
"1549377"	317.072758	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+K"	38.963158
"308734"	298.094817	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+H+K"	39.970434
"701155"	437.149617	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+H+K"	39.970434
"1459354"	159.040017	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H+K"	39.970434
"244673"	598.253026	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+ACN+H"	42.033826
"1220665"	320.143426	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+ACN+H"	42.033826
"1203452"	160.575351	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+ACN+2H"	43.041102
"195229"	601.19036	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+2Na-H"	44.97116
"635883"	879.29996	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+2Na-H"	44.97116
"1131368"	323.08076	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2Na-H"	44.97116
"179400"	301.098818	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+2Na"	45.978436
"624428"	440.153618	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+2Na"	45.978436
"1127936"	162.044018	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2Na"	45.978436
"1406357"	108.365104	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H+2Na"	46.985712
"1434097"	325.122346	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H+HCOOH"	47.012746
"225980"	306.13184	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+3H2O+2H"	56.04448
"1515866"	339.17439	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+IsoProp+H"	61.06479
"415553"	309.085788	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+Na+K"	61.952376
"776549"	448.140588	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+Na+K"	61.952376
"1671785"	170.030988	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Na+K"	61.952376
"257210"	620.234968	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+ACN+Na"	64.015768
"1232831"	342.125368	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+ACN+Na"	64.015768
"1718437"	342.148893	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+NH4+HCOOH"	64.039293
"1185253"	115.692418	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+3Na"	68.967654
"1664267"	347.104288	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Na+HCOOH"	68.994688
"170764"	633.13824	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+2K-H"	76.91904
"612795"	911.24784	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+2K-H"	76.91904
"1098115"	355.02864	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2K-H"	76.91904
"155673"	317.072758	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"2M+2K"	77.926316
"594142"	456.127558	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"3M+2K"	77.926316
"1084151"	178.017958	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2K"	77.926316
"1114773"	357.043192	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2K+H"	78.933592
"1349581"	357.130807	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+DMSO+H"	79.021207
"1016040"	361.169976	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2ACN+H"	83.060376
"1529791"	362.163608	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+IsoProp+Na+H"	84.054008
"1000612"	181.088626	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+2ACN+2H"	84.067652
"1599491"	363.078228	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+K+HCOOH"	84.968628
"1425151"	393.109738	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+H+CF3COOH"	115.000138
"1157625"	201.601901	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+3ACN+2H"	125.094202
"1704991"	410.136285	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+NH4+CF3COOH"	132.026685
"1640642"	415.09168	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+Na+CF3COOH"	136.98208
"1572283"	431.06562	"C19389"	"Dibenzajanthracene;Dibenzo-1278-anthracene"	"C22H14"	"278.1096"	"M+K+CF3COOH"	152.95602
"808851"	302.1096	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M"	0
"982384"	283.09121	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"71720"	200.399124	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"513468"	301.102324	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"889082"	99.695924	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"10935"	301.102324	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"450496"	452.157124	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"818456"	150.047524	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"79661"	603.211924	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"522393"	905.321524	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"895938"	301.102324	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"52380"	620.238471	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"490850"	922.348071	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"868652"	318.128871	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"42020"	625.193866	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"482309"	927.303466	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"860482"	323.084266	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1633426"	323.084266	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"109104"	319.090663	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"545742"	470.145463	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"939257"	168.035863	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"282320"	639.188602	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"674737"	941.298202	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1287259"	337.079002	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"27749"	641.167806	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"467673"	943.277406	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"844380"	339.058206	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1565317"	339.058206	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"955024"	347.107794	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"367767"	649.217401	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"350925"	663.233051	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1497575"	361.123451	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"968402"	369.089751	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"120589"	337.079002	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"552498"	488.133802	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1023483"	186.024202	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1248528"	381.028485	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1306604"	383.084472	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1327379"	405.066429	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"919531"	415.095186	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1297332"	451.071864	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1382385"	267.096924	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1398056"	285.1069	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"298190"	605.226476	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"686919"	907.336076	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1365820"	303.116876	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H"	1.007276
"137254"	303.116876	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"577179"	454.171676	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1050350"	152.062076	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"213881"	202.413676	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"651256"	303.116876	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1163671"	101.710476	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"426095"	622.253023	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"785873"	924.362623	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1681402"	320.143423	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"332790"	311.6301495	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"723386"	462.6849495	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1483406"	160.5753495	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"400994"	627.208418	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"757250"	929.318018	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1611185"	325.098818	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"323411"	314.107847	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"720574"	465.162647	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1476462"	163.053047	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1066060"	109.03779	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1271509"	335.143086	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"388627"	643.182358	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"749621"	945.291958	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1551673"	341.072758	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+K"	38.963158
"309937"	322.094817	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"703451"	473.149617	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1458366"	171.040017	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"246967"	646.253026	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1220769"	344.143426	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1203558"	172.575351	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"199711"	649.19036	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"635993"	951.29996	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1131922"	347.08076	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"179510"	325.098818	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"623447"	476.153618	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1127682"	174.044018	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1404280"	116.365104	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1433115"	349.122346	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"223174"	330.13184	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1512696"	363.17439	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"415663"	333.085788	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"778117"	484.140588	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1670072"	182.030988	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"256226"	668.234968	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1228568"	366.125368	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1720370"	366.148893	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1180985"	123.692418	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1658541"	371.104288	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"170511"	681.13824	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"612016"	983.24784	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1098470"	379.02864	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"156023"	341.072758	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"594252"	492.127558	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1083130"	190.017958	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1113185"	381.043192	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1347991"	381.130807	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1015055"	385.169976	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1528807"	386.163608	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"1002909"	193.088626	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1597413"	387.078228	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1421980"	417.109738	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1156642"	213.601901	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1702914"	434.136285	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1637472"	439.09168	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1571664"	455.06562	"C19390"	"Dibenzoaefluoranthene;2356-Dibenzofluoranthene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"808961"	266.1096	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M"	0
"982494"	247.09121	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-H2O-H"	-19.01839
"70737"	176.399124	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M-3H"	-3.021828
"515765"	265.102324	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M-3H"	-3.021828
"888099"	87.695924	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-3H"	-3.021828
"12139"	265.102324	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M-2H"	-2.014552
"451700"	398.157124	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M-2H"	-2.014552
"820753"	132.047524	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-2H"	-2.014552
"81841"	531.211924	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M-H"	-1.007276
"520316"	797.321524	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M-H"	-1.007276
"900305"	265.102324	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-H"	-1.007276
"49452"	548.238471	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M-2H+NH4"	16.019271
"496427"	814.348071	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M-2H+NH4"	16.019271
"870949"	282.128871	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-2H+NH4"	16.019271
"42130"	553.193866	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M-2H+Na"	20.974666
"478410"	819.303466	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M-2H+Na"	20.974666
"860592"	287.084266	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-2H+Na"	20.974666
"1633784"	287.084266	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Na-2H"	20.974666
"109703"	283.090663	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M-H+Cl"	33.962126
"549745"	416.145463	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M-H+Cl"	33.962126
"942165"	150.035863	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-H+Cl"	33.962126
"282555"	567.188602	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+Cl"	34.969402
"675222"	833.298202	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+Cl"	34.969402
"1288103"	301.079002	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Cl"	34.969402
"29440"	569.167806	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M-2H+K"	36.948606
"470341"	835.277406	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M-2H+K"	36.948606
"846678"	303.058206	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-2H+K"	36.948606
"1568707"	303.058206	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+K-2H"	36.948606
"955500"	311.107794	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-H+HCOOH"	44.998194
"366786"	577.217401	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+HCOOH-H"	44.998201
"352130"	591.233051	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+Hac-H"	59.013851
"1497680"	325.123451	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Hac-H"	59.013851
"971794"	333.089751	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-H+NaCOOH"	66.980151
"123615"	301.079002	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+2Cl"	69.938804
"563906"	434.133802	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+2Cl"	69.938804
"1036351"	168.024202	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2Cl"	69.938804
"1255565"	345.028485	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Br"	78.918885
"1311088"	347.084472	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Cl+HCOOH"	80.974872
"1327489"	369.066429	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Cl+NaCOOH"	102.956829
"925595"	379.095186	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M-H+CF3COOH"	112.985586
"1299630"	415.071864	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Cl+CF3COOH"	148.962264
"1382452"	231.096924	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H-2H2O"	-35.012676
"1397233"	249.1069	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H-H2O"	-17.0027
"298366"	533.226476	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+H"	1.007276
"686300"	799.336076	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+H"	1.007276
"1365930"	267.116876	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H"	1.007276
"138821"	267.116876	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+2H"	2.014552
"578382"	400.171676	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+2H"	2.014552
"1048274"	134.062076	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2H"	2.014552
"218364"	178.413676	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+3H"	3.021828
"656833"	267.116876	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+3H"	3.021828
"1168401"	89.710476	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+3H"	3.021828
"430580"	550.253023	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+NH4"	18.033823
"789752"	816.362623	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+NH4"	18.033823
"1683892"	284.143423	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+NH4"	18.033823
"335087"	275.6301495	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+H+NH4"	19.041099
"727508"	408.6849495	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+H+NH4"	19.041099
"1483516"	142.5753495	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H+NH4"	19.041099
"401104"	555.208418	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+Na"	22.989218
"758454"	821.318018	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+Na"	22.989218
"1616641"	289.098818	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Na"	22.989218
"324614"	278.107847	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+H+Na"	23.996494
"719590"	411.162647	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+H+Na"	23.996494
"1475478"	145.053047	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H+Na"	23.996494
"1067019"	97.03779	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2H+Na"	25.00377
"1271503"	299.143086	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+CH3OH+H"	33.033486
"391900"	571.182358	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+K"	38.963158
"752647"	837.291958	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+K"	38.963158
"1553971"	305.072758	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+K"	38.963158
"308954"	286.094817	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+H+K"	39.970434
"702468"	419.149617	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+H+K"	39.970434
"1458476"	153.040017	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H+K"	39.970434
"247077"	574.253026	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+ACN+H"	42.033826
"1221974"	308.143426	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+ACN+H"	42.033826
"1203668"	154.575351	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+ACN+2H"	43.041102
"200914"	577.19036	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+2Na-H"	44.97116
"639019"	843.29996	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+2Na-H"	44.97116
"1133411"	311.08076	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2Na-H"	44.97116
"182900"	289.098818	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+2Na"	45.978436
"624651"	422.153618	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+2Na"	45.978436
"1127428"	156.044018	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2Na"	45.978436
"1409129"	104.365104	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H+2Na"	46.985712
"1438328"	313.122346	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H+HCOOH"	47.012746
"226200"	294.13184	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+3H2O+2H"	56.04448
"1516086"	327.17439	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+IsoProp+H"	61.06479
"411761"	297.085788	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+Na+K"	61.952376
"774580"	430.140588	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+Na+K"	61.952376
"1667628"	164.030988	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Na+K"	61.952376
"253782"	596.234968	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+ACN+Na"	64.015768
"1229407"	330.125368	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+ACN+Na"	64.015768
"1715012"	330.148893	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+NH4+HCOOH"	64.039293
"1179757"	111.692418	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+3Na"	68.967654
"1655369"	335.104288	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Na+HCOOH"	68.994688
"169891"	609.13824	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+2K-H"	76.91904
"611280"	875.24784	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+2K-H"	76.91904
"1097973"	343.02864	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2K-H"	76.91904
"154795"	305.072758	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"2M+2K"	77.926316
"594482"	438.127558	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"3M+2K"	77.926316
"1080692"	172.017958	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2K"	77.926316
"1112079"	345.043192	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2K+H"	78.933592
"1347732"	345.130807	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+DMSO+H"	79.021207
"1017353"	349.169976	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2ACN+H"	83.060376
"1527825"	350.163608	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+IsoProp+Na+H"	84.054008
"1004722"	175.088626	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+2ACN+2H"	84.067652
"1597523"	351.078228	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+K+HCOOH"	84.968628
"1422090"	381.109738	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+H+CF3COOH"	115.000138
"1158939"	195.601901	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+3ACN+2H"	125.094202
"1700836"	398.136285	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+NH4+CF3COOH"	132.026685
"1636488"	403.09168	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+Na+CF3COOH"	136.98208
"1572138"	419.06562	"C19391"	"13H-Dibenzoagfluorene"	"C21H14"	"266.1096"	"M+K+CF3COOH"	152.95602
"809071"	352.1252	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M"	0
"980417"	333.10681	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-H2O-H"	-19.01839
"70847"	233.742857333333	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M-3H"	-3.021828
"513688"	351.117924	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M-3H"	-3.021828
"887116"	116.367790666667	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-3H"	-3.021828
"8969"	351.117924	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M-2H"	-2.014552
"450716"	527.180524	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M-2H"	-2.014552
"818309"	175.055324	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-2H"	-2.014552
"79759"	703.243124	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M-H"	-1.007276
"530262"	1055.368324	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M-H"	-1.007276
"896035"	351.117924	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-H"	-1.007276
"48833"	720.269671	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M-2H+NH4"	16.019271
"489977"	1072.394871	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M-2H+NH4"	16.019271
"866926"	368.144471	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-2H+NH4"	16.019271
"35679"	725.225066	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M-2H+Na"	20.974666
"478520"	1077.350266	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M-2H+Na"	20.974666
"861794"	373.099866	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-2H+Na"	20.974666
"1633163"	373.099866	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Na-2H"	20.974666
"109204"	369.106263	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M-H+Cl"	33.962126
"549574"	545.168863	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M-H+Cl"	33.962126
"942356"	193.043663	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-H+Cl"	33.962126
"281933"	739.219802	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+Cl"	34.969402
"675207"	1091.345002	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+Cl"	34.969402
"1287730"	387.094602	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Cl"	34.969402
"29789"	741.199006	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M-2H+K"	36.948606
"470688"	1093.324206	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M-2H+K"	36.948606
"845328"	389.073806	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-2H+K"	36.948606
"1568817"	389.073806	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+K-2H"	36.948606
"955973"	397.123394	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-H+HCOOH"	44.998194
"371640"	749.248601	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+HCOOH-H"	44.998201
"352240"	763.264251	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+Hac-H"	59.013851
"1496697"	411.139051	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Hac-H"	59.013851
"968626"	419.105351	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-H+NaCOOH"	66.980151
"124092"	387.094602	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+2Cl"	69.938804
"564018"	563.157202	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+2Cl"	69.938804
"1035732"	211.032002	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2Cl"	69.938804
"1255675"	431.044085	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Br"	78.918885
"1314478"	433.100072	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Cl+HCOOH"	80.974872
"1333795"	455.082029	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Cl+NaCOOH"	102.956829
"925947"	465.110786	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M-H+CF3COOH"	112.985586
"1300833"	501.087464	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Cl+CF3COOH"	148.962264
"1382644"	317.112524	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H-2H2O"	-35.012676
"1398262"	335.1225	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H-H2O"	-17.0027
"297270"	705.257676	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+H"	1.007276
"686410"	1057.382876	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+H"	1.007276
"1363854"	353.132476	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H"	1.007276
"138931"	353.132476	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+2H"	2.014552
"579585"	529.195076	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+2H"	2.014552
"1047291"	177.069876	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2H"	2.014552
"216287"	235.757409333333	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+3H"	3.021828
"656943"	353.132476	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+3H"	3.021828
"1168874"	118.382342666667	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+3H"	3.021828
"430689"	722.284223	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+NH4"	18.033823
"791685"	1074.409423	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+NH4"	18.033823
"1685097"	370.159023	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+NH4"	18.033823
"332281"	361.6457495	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+H+NH4"	19.041099
"724823"	537.7083495	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+H+NH4"	19.041099
"1478153"	185.5831495	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H+NH4"	19.041099
"396474"	727.239618	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+Na"	22.989218
"756741"	1079.364818	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+Na"	22.989218
"1613593"	375.114418	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Na"	22.989218
"323631"	364.123447	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+H+Na"	23.996494
"721036"	540.186047	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+H+Na"	23.996494
"1475345"	188.060847	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H+Na"	23.996494
"1065307"	125.709656666667	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2H+Na"	25.00377
"1271729"	385.158686	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+CH3OH+H"	33.033486
"391766"	743.213558	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+K"	38.963158
"753688"	1095.338758	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+K"	38.963158
"1553715"	391.088358	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+K"	38.963158
"307970"	372.110417	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+H+K"	39.970434
"701485"	548.173017	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+H+K"	39.970434
"1455307"	196.047817	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H+K"	39.970434
"245001"	746.284226	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+ACN+H"	42.033826
"1218801"	394.159026	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+ACN+H"	42.033826
"1205603"	197.583151	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+ACN+2H"	43.041102
"201023"	749.22156	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+2Na-H"	44.97116
"638400"	1101.34676	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+2Na-H"	44.97116
"1131938"	397.09636	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2Na-H"	44.97116
"181552"	375.114418	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+2Na"	45.978436
"625854"	551.177018	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+2Na"	45.978436
"1127902"	199.051818	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2Na"	45.978436
"1406323"	133.036970666667	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H+2Na"	46.985712
"1438438"	399.137946	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H+HCOOH"	47.012746
"225946"	380.14744	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+3H2O+2H"	56.04448
"1515103"	413.18999	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+IsoProp+H"	61.06479
"411142"	383.101388	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+Na+K"	61.952376
"772503"	559.163988	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+Na+K"	61.952376
"1667009"	207.038788	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Na+K"	61.952376
"253892"	768.266168	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+ACN+Na"	64.015768
"1227695"	416.140968	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+ACN+Na"	64.015768
"1715122"	416.164493	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+NH4+HCOOH"	64.039293
"1179746"	140.364284666667	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+3Na"	68.967654
"1655479"	421.119888	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Na+HCOOH"	68.994688
"171093"	781.16944	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+2K-H"	76.91904
"611752"	1133.29464	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+2K-H"	76.91904
"1099176"	429.04424	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2K-H"	76.91904
"156115"	391.088358	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"2M+2K"	77.926316
"596934"	567.150958	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"3M+2K"	77.926316
"1082624"	215.025758	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2K"	77.926316
"1113645"	431.058792	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2K+H"	78.933592
"1346747"	431.146407	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+DMSO+H"	79.021207
"1016369"	435.185576	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2ACN+H"	83.060376
"1530121"	436.179208	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+IsoProp+Na+H"	84.054008
"1000942"	218.096426	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+2ACN+2H"	84.067652
"1595446"	437.093828	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+K+HCOOH"	84.968628
"1421107"	467.125338	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+H+CF3COOH"	115.000138
"1157956"	238.609701	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+3ACN+2H"	125.094202
"1702039"	484.151885	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+NH4+CF3COOH"	132.026685
"1637692"	489.10728	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+Na+CF3COOH"	136.98208
"1573706"	505.08122	"C19392"	"Dibenzohrstpentaphene"	"C28H16"	"352.1252"	"M+K+CF3COOH"	152.95602
"805901"	302.1096	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M"	0
"979432"	283.09121	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"68768"	200.399124	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"510516"	301.102324	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"887226"	99.695924	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"5797"	301.102324	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"445358"	452.157124	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"820969"	150.047524	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"79867"	603.211924	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"519435"	905.321524	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"896511"	301.102324	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"47353"	620.238471	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"487277"	922.348071	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"864287"	318.128871	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"32140"	625.193866	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"471420"	927.303466	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"860807"	323.084266	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1633384"	323.084266	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"107238"	319.090663	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"546433"	470.145463	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"941528"	168.035863	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"282480"	639.188602	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"675515"	941.298202	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1284424"	337.079002	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"30138"	641.167806	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"469821"	943.277406	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"846528"	339.058206	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1568922"	339.058206	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"953531"	347.107794	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"373931"	649.217401	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"347970"	663.233051	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1496438"	361.123451	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"962169"	369.089751	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"117637"	337.079002	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"564488"	488.133802	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1036329"	186.024202	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1253596"	381.028485	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1309121"	383.084472	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1329532"	405.066429	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"917673"	415.095186	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1296569"	451.071864	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1381414"	267.096924	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1398185"	285.1069	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"291912"	605.226476	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"681053"	907.336076	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1361777"	303.116876	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H"	1.007276
"134668"	303.116876	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"573134"	454.171676	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1044120"	152.062076	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"219435"	202.413676	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"652680"	303.116876	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1166066"	101.710476	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"424962"	622.253023	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"785741"	924.362623	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1681554"	320.143423	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"330110"	311.6301495	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"722843"	462.6849495	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1480453"	160.5753495	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"392918"	627.208418	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"754229"	929.318018	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1609327"	325.098818	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"322647"	314.107847	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"716162"	465.162647	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1474362"	163.053047	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1064324"	109.03779	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1271475"	335.143086	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"392481"	643.182358	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"751772"	945.291958	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1552002"	341.072758	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+K"	38.963158
"306987"	322.094817	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"703781"	473.149617	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1457603"	171.040017	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"247297"	646.253026	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1218911"	344.143426	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1206076"	172.575351	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"197853"	649.19036	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"636687"	951.29996	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1131398"	347.08076	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"181298"	325.098818	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"625236"	476.153618	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1124365"	174.044018	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1406433"	116.365104	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1438548"	349.122346	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"226056"	330.13184	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1515213"	363.17439	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"411252"	333.085788	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"773705"	484.140588	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1667119"	182.030988	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"252057"	668.234968	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1227805"	366.125368	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1713529"	366.148893	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1179491"	123.692418	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1655589"	371.104288	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"163544"	681.13824	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"610761"	983.24784	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1098801"	379.02864	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"157001"	341.072758	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"596028"	492.127558	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1081640"	190.017958	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1113754"	381.043192	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1346856"	381.130807	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1015385"	385.169976	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1529138"	386.163608	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"998865"	193.088626	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1594463"	387.078228	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1420123"	417.109738	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1160252"	213.601901	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1701056"	434.136285	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1638895"	439.09168	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1574545"	455.06562	"C19393"	"Dibenzoaepyrene;Naphtho1234-defchrysene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"806011"	302.1096	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M"	0
"979542"	283.09121	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"68878"	200.399124	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"509533"	301.102324	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"890616"	99.695924	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"5907"	301.102324	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"445468"	452.157124	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"818894"	150.047524	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"81071"	603.211924	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"519666"	905.321524	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"895806"	301.102324	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"47172"	620.238471	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"487118"	922.348071	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"864217"	318.128871	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"32129"	625.193866	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"471401"	927.303466	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"860917"	323.084266	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1630453"	323.084266	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"107347"	319.090663	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"548001"	470.145463	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"940787"	168.035863	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"282793"	639.188602	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"674925"	941.298202	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1282346"	337.079002	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"28183"	641.167806	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"467744"	943.277406	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"845545"	339.058206	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1568669"	339.058206	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"951454"	347.107794	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"374041"	649.217401	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"351366"	663.233051	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1495820"	361.123451	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"962278"	369.089751	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"117746"	337.079002	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"565455"	488.133802	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1036560"	186.024202	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1256501"	381.028485	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1314698"	383.084472	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1331099"	405.066429	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"921063"	415.095186	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1296679"	451.071864	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1381036"	267.096924	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1397321"	285.1069	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"295302"	605.226476	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"681164"	907.336076	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1361888"	303.116876	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H"	1.007276
"134778"	303.116876	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"573244"	454.171676	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1043137"	152.062076	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"218940"	202.413676	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"653884"	303.116876	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1166905"	101.710476	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"425801"	622.253023	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"785902"	924.362623	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1681540"	320.143423	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"330142"	311.6301495	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"722926"	462.6849495	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1480563"	160.5753495	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"394139"	627.208418	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"754598"	929.318018	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1604332"	325.098818	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"318382"	314.107847	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"716272"	465.162647	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1475564"	163.053047	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1066620"	109.03779	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1269394"	335.143086	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"391982"	643.182358	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"750056"	945.291958	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1553202"	341.072758	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+K"	38.963158
"304910"	322.094817	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"700610"	473.149617	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1457713"	171.040017	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"246314"	646.253026	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1216835"	344.143426	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1200718"	172.575351	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"192495"	649.19036	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"636432"	951.29996	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1131668"	347.08076	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"182137"	325.098818	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"625346"	476.153618	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1125206"	174.044018	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1408731"	116.365104	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1442305"	349.122346	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"232726"	330.13184	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1518603"	363.17439	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"416101"	333.085788	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"773815"	484.140588	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1667229"	182.030988	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"253019"	668.234968	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1226820"	366.125368	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1714613"	366.148893	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1179966"	123.692418	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1652420"	371.104288	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"159642"	681.13824	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"609778"	983.24784	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1099153"	379.02864	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"156214"	341.072758	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"595529"	492.127558	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1081749"	190.017958	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1114227"	381.043192	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1345873"	381.130807	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1013308"	385.169976	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1529247"	386.163608	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"1000069"	193.088626	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1594573"	387.078228	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1420233"	417.109738	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1158176"	213.601901	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1701166"	434.136285	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1639005"	439.09168	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1573562"	455.06562	"C19394"	"Dibenzoelpyrene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"806121"	108.9486	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M"	0
"986212"	89.93021	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-H2O-H"	-19.01839
"72270"	71.625124	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M-3H"	-3.021828
"510737"	107.941324	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M-3H"	-3.021828
"886353"	35.308924	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-3H"	-3.021828
"7112"	107.941324	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M-2H"	-2.014552
"445578"	162.415624	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M-2H"	-2.014552
"819368"	53.467024	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-2H"	-2.014552
"80084"	216.889924	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M-H"	-1.007276
"522937"	325.838524	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M-H"	-1.007276
"896353"	107.941324	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-H"	-1.007276
"47691"	233.916471	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M-2H+NH4"	16.019271
"488235"	342.865071	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M-2H+NH4"	16.019271
"865555"	124.967871	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-2H+NH4"	16.019271
"33091"	238.871866	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M-2H+Na"	20.974666
"479943"	347.820466	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M-2H+Na"	20.974666
"860663"	129.923266	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-2H+Na"	20.974666
"1630931"	129.923266	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Na-2H"	20.974666
"109372"	125.929663	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M-H+Cl"	33.962126
"547993"	180.403963	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M-H+Cl"	33.962126
"940779"	71.455363	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-H+Cl"	33.962126
"282131"	252.866602	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+Cl"	34.969402
"675163"	361.815202	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+Cl"	34.969402
"1285737"	143.918002	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Cl"	34.969402
"28293"	254.845806	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M-2H+K"	36.948606
"467854"	363.794406	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M-2H+K"	36.948606
"845655"	145.897206	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-2H+K"	36.948606
"1568047"	145.897206	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+K-2H"	36.948606
"954837"	153.946794	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-H+HCOOH"	44.998194
"373053"	262.895401	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+HCOOH-H"	44.998201
"351475"	276.911051	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+Hac-H"	59.013851
"1497024"	167.962451	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Hac-H"	59.013851
"962388"	175.928751	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-H+NaCOOH"	66.980151
"110929"	143.918002	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+2Cl"	69.938804
"554135"	198.392302	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+2Cl"	69.938804
"1035330"	89.443702	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2Cl"	69.938804
"1254910"	187.867485	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Br"	78.918885
"1319673"	189.923472	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Cl+HCOOH"	80.974872
"1332668"	211.905429	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Cl+NaCOOH"	102.956829
"921539"	221.934186	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M-H+CF3COOH"	112.985586
"1296789"	257.910864	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Cl+CF3COOH"	148.962264
"1380418"	73.935924	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H-2H2O"	-35.012676
"1397796"	91.9459	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H-H2O"	-17.0027
"295413"	218.904476	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+H"	1.007276
"682368"	327.853076	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+H"	1.007276
"1361998"	109.955876	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H"	1.007276
"138168"	109.955876	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+2H"	2.014552
"576635"	164.430176	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+2H"	2.014552
"1046527"	55.481576	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2H"	2.014552
"216617"	73.639676	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+3H"	3.021828
"656180"	109.955876	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+3H"	3.021828
"1167744"	37.323476	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+3H"	3.021828
"427006"	235.931023	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+NH4"	18.033823
"788000"	344.879623	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+NH4"	18.033823
"1681529"	126.982423	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+NH4"	18.033823
"330417"	118.4691495	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+H+NH4"	19.041099
"723570"	172.9434495	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+H+NH4"	19.041099
"1485047"	63.9948495	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H+NH4"	19.041099
"394977"	240.886418	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+Na"	22.989218
"757433"	349.835018	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+Na"	22.989218
"1605170"	131.937818	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Na"	22.989218
"317399"	120.946847	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+H+Na"	23.996494
"716382"	175.421147	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+H+Na"	23.996494
"1474946"	66.472547	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H+Na"	23.996494
"1066974"	44.65079	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2H+Na"	25.00377
"1271569"	141.982086	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+CH3OH+H"	33.033486
"389907"	256.860358	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+K"	38.963158
"750898"	365.808958	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+K"	38.963158
"1552221"	147.911758	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+K"	38.963158
"307207"	128.933817	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+H+K"	39.970434
"699627"	183.408117	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+H+K"	39.970434
"1453451"	74.459517	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H+K"	39.970434
"245330"	259.931026	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+ACN+H"	42.033826
"1214758"	150.982426	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+ACN+H"	42.033826
"1200828"	75.994851	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+ACN+2H"	43.041102
"195887"	262.86836	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+2Na-H"	44.97116
"635449"	371.81696	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+2Na-H"	44.97116
"1133608"	153.91976	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2Na-H"	44.97116
"180424"	131.937818	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+2Na"	45.978436
"621809"	186.412118	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+2Na"	45.978436
"1127503"	77.463518	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2Na"	45.978436
"1406655"	51.978104	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H+2Na"	46.985712
"1442903"	155.961346	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H+HCOOH"	47.012746
"233447"	136.97084	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+3H2O+2H"	56.04448
"1521629"	170.01339	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+IsoProp+H"	61.06479
"418399"	139.924788	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+Na+K"	61.952376
"776114"	194.399088	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+Na+K"	61.952376
"1668434"	85.450488	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Na+K"	61.952376
"256776"	281.912968	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+ACN+Na"	64.015768
"1226121"	172.964368	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+ACN+Na"	64.015768
"1713142"	172.987893	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+NH4+HCOOH"	64.039293
"1178983"	59.305418	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+3Na"	68.967654
"1652530"	177.943288	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Na+HCOOH"	68.994688
"160482"	294.81624	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+2K-H"	76.91904
"604420"	403.76484	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+2K-H"	76.91904
"1096955"	185.86764	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2K-H"	76.91904
"155837"	147.911758	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"2M+2K"	77.926316
"592964"	202.386058	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"3M+2K"	77.926316
"1080764"	93.437458	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2K"	77.926316
"1111421"	187.882192	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2K+H"	78.933592
"1346716"	187.969807	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+DMSO+H"	79.021207
"1006250"	192.008976	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2ACN+H"	83.060376
"1526078"	193.002608	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+IsoProp+Na+H"	84.054008
"994713"	96.508126	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+2ACN+2H"	84.067652
"1590311"	193.917228	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+K+HCOOH"	84.968628
"1417064"	223.948738	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+H+CF3COOH"	115.000138
"1152819"	117.021401	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+3ACN+2H"	125.094202
"1702371"	240.975285	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+NH4+CF3COOH"	132.026685
"1642395"	245.93068	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+Na+CF3COOH"	136.98208
"1572579"	261.90462	"C19395"	"Dichloroacetonitrile"	"C2HCl2N"	"108.9486"	"M+K+CF3COOH"	152.95602
"806231"	196.8476	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M"	0
"986322"	177.82921	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-H2O-H"	-19.01839
"75659"	130.224457333333	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M-3H"	-3.021828
"514126"	195.840324	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M-3H"	-3.021828
"890835"	64.6085906666667	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-3H"	-3.021828
"8315"	195.840324	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M-2H"	-2.014552
"443501"	294.264124	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M-2H"	-2.014552
"819114"	97.416524	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-2H"	-2.014552
"79103"	392.687924	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M-H"	-1.007276
"523045"	589.535524	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M-H"	-1.007276
"896098"	195.840324	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-H"	-1.007276
"47932"	409.714471	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M-2H+NH4"	16.019271
"487290"	606.562071	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M-2H+NH4"	16.019271
"867124"	212.866871	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-2H+NH4"	16.019271
"31857"	414.669866	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M-2H+Na"	20.974666
"478959"	611.517466	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M-2H+Na"	20.974666
"860409"	217.822266	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-2H+Na"	20.974666
"1633226"	217.822266	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Na-2H"	20.974666
"106109"	213.828663	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M-H+Cl"	33.962126
"544575"	312.252463	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M-H+Cl"	33.962126
"939184"	115.404863	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-H+Cl"	33.962126
"281635"	428.664602	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+Cl"	34.969402
"675280"	625.512202	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+Cl"	34.969402
"1281474"	231.817002	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Cl"	34.969402
"25123"	430.643806	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M-2H+K"	36.948606
"467964"	627.491406	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M-2H+K"	36.948606
"846494"	233.796206	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-2H+K"	36.948606
"1563783"	233.796206	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+K-2H"	36.948606
"954583"	241.845794	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-H+HCOOH"	44.998194
"372799"	438.693401	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+HCOOH-H"	44.998201
"354864"	452.709051	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+Hac-H"	59.013851
"1504425"	255.861451	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Hac-H"	59.013851
"961405"	263.827751	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-H+NaCOOH"	66.980151
"112497"	231.817002	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+2Cl"	69.938804
"555338"	330.240802	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+2Cl"	69.938804
"1028513"	133.393202	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2Cl"	69.938804
"1252465"	275.766485	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Br"	78.918885
"1319497"	277.822472	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Cl+HCOOH"	80.974872
"1331319"	299.804429	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Cl+NaCOOH"	102.956829
"920190"	309.833186	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M-H+CF3COOH"	112.985586
"1294711"	345.809864	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Cl+CF3COOH"	148.962264
"1376153"	161.834924	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H-2H2O"	-35.012676
"1395836"	179.8449	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H-H2O"	-17.0027
"292243"	394.702476	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+H"	1.007276
"683571"	591.550076	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+H"	1.007276
"1363199"	197.854876	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H"	1.007276
"133903"	197.854876	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+2H"	2.014552
"577838"	296.278676	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+2H"	2.014552
"1046636"	99.431076	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2H"	2.014552
"216727"	132.239009333333	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+3H"	3.021828
"658112"	197.854876	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+3H"	3.021828
"1172228"	66.6231426666667	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+3H"	3.021828
"428209"	411.729023	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+NH4"	18.033823
"787745"	608.576623	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+NH4"	18.033823
"1683346"	214.881423	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+NH4"	18.033823
"330530"	206.3681495	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+H+NH4"	19.041099
"726963"	304.7919495	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+H+NH4"	19.041099
"1482970"	107.9443495	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H+NH4"	19.041099
"395452"	416.684418	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+Na"	22.989218
"758637"	613.532018	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+Na"	22.989218
"1606739"	219.836818	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Na"	22.989218
"318602"	208.845847	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+H+Na"	23.996494
"715399"	307.269647	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+H+Na"	23.996494
"1476032"	110.422047	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H+Na"	23.996494
"1067812"	73.9504566666667	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2H+Na"	25.00377
"1271799"	229.881086	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+CH3OH+H"	33.033486
"390020"	432.658358	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+K"	38.963158
"753074"	629.505958	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+K"	38.963158
"1554153"	235.810758	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+K"	38.963158
"307317"	216.832817	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+H+K"	39.970434
"698644"	315.256617	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+H+K"	39.970434
"1455747"	118.409017	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H+K"	39.970434
"246169"	435.729026	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+ACN+H"	42.033826
"1215961"	238.881426	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+ACN+H"	42.033826
"1198021"	119.944351	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+ACN+2H"	43.041102
"197090"	438.66636	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+2Na-H"	44.97116
"633370"	635.51396	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+2Na-H"	44.97116
"1136877"	241.81876	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2Na-H"	44.97116
"180534"	219.836818	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+2Na"	45.978436
"623012"	318.260618	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+2Na"	45.978436
"1127251"	121.413018	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2Na"	45.978436
"1403483"	81.2777706666667	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H+2Na"	46.985712
"1443986"	243.860346	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H+HCOOH"	47.012746
"233678"	224.86984	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+3H2O+2H"	56.04448
"1520647"	257.91239	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+IsoProp+H"	61.06479
"420333"	227.823788	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+Na+K"	61.952376
"778411"	326.247588	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+Na+K"	61.952376
"1670367"	129.399988	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Na+K"	61.952376
"259074"	457.710968	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+ACN+Na"	64.015768
"1228501"	260.863368	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+ACN+Na"	64.015768
"1712746"	260.886893	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+NH4+HCOOH"	64.039293
"1179824"	88.6050846666667	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+3Na"	68.967654
"1652631"	265.842288	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Na+HCOOH"	68.994688
"160592"	470.61424	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+2K-H"	76.91904
"600152"	667.46184	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+2K-H"	76.91904
"1097791"	273.76664	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2K-H"	76.91904
"152421"	235.810758	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"2M+2K"	77.926316
"593074"	334.234558	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"3M+2K"	77.926316
"1076498"	137.386958	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2K"	77.926316
"1111895"	275.781192	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2K+H"	78.933592
"1347916"	275.868807	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+DMSO+H"	79.021207
"1006970"	279.907976	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2ACN+H"	83.060376
"1524850"	280.901608	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+IsoProp+Na+H"	84.054008
"992636"	140.457626	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+2ACN+2H"	84.067652
"1592608"	281.816228	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+K+HCOOH"	84.968628
"1417174"	311.847738	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+H+CF3COOH"	115.000138
"1151836"	160.970901	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+3ACN+2H"	125.094202
"1700295"	328.874285	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+NH4+CF3COOH"	132.026685
"1638132"	333.82968	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+Na+CF3COOH"	136.98208
"1571959"	349.80362	"C19396"	"Dibromoacetonitrile"	"C2HBr2N"	"196.8476"	"M+K+CF3COOH"	152.95602
"806341"	145.969	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M"	0
"986432"	126.95061	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H2O-H"	-19.01839
"75769"	96.3053906666667	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-3H"	-3.021828
"516425"	144.961724	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-3H"	-3.021828
"894225"	47.6490573333333	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-3H"	-3.021828
"11705"	144.961724	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H"	-2.014552
"446891"	217.946224	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H"	-2.014552
"819589"	71.977224	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H"	-2.014552
"79576"	290.930724	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-H"	-1.007276
"523155"	436.899724	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-H"	-1.007276
"898772"	144.961724	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H"	-1.007276
"49867"	307.957271	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+NH4"	16.019271
"487841"	453.926271	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+NH4"	16.019271
"869421"	161.988271	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+NH4"	16.019271
"32329"	312.912666	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+Na"	20.974666
"477976"	458.881666	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+Na"	20.974666
"859426"	166.943666	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+Na"	20.974666
"1630785"	166.943666	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na-2H"	20.974666
"105856"	162.950063	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-H+Cl"	33.962126
"544685"	235.934563	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-H+Cl"	33.962126
"940388"	89.965563	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+Cl"	33.962126
"282319"	326.907402	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Cl"	34.969402
"675136"	472.876402	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Cl"	34.969402
"1282677"	180.938402	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl"	34.969402
"27420"	328.886606	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M-2H+K"	36.948606
"471159"	474.855606	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M-2H+K"	36.948606
"847699"	182.917606	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-2H+K"	36.948606
"1564987"	182.917606	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K-2H"	36.948606
"955059"	190.967194	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+HCOOH"	44.998194
"372181"	336.936201	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+HCOOH-H"	44.998201
"350599"	350.951851	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Hac-H"	59.013851
"1503441"	204.982851	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Hac-H"	59.013851
"962608"	212.949151	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+NaCOOH"	66.980151
"111635"	180.938402	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Cl"	69.938804
"550582"	253.922902	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Cl"	69.938804
"1021568"	107.953902	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Cl"	69.938804
"1250389"	224.887885	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Br"	78.918885
"1309558"	226.943872	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+HCOOH"	80.974872
"1331429"	248.925829	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+NaCOOH"	102.956829
"920300"	258.954586	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M-H+CF3COOH"	112.985586
"1291541"	294.931264	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Cl+CF3COOH"	148.962264
"1376263"	110.956324	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H-2H2O"	-35.012676
"1395946"	128.9663	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H-H2O"	-17.0027
"293447"	292.945276	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H"	1.007276
"684776"	438.914276	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H"	1.007276
"1360030"	146.976276	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H"	1.007276
"141145"	146.976276	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2H"	2.014552
"573576"	219.960776	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2H"	2.014552
"1050030"	73.991776	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2H"	2.014552
"209180"	98.3199426666667	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+3H"	3.021828
"655306"	146.976276	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+3H"	3.021828
"1163955"	49.6636093333333	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3H"	3.021828
"427957"	309.971823	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+NH4"	18.033823
"785789"	455.940823	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+NH4"	18.033823
"1681749"	164.002823	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4"	18.033823
"330515"	155.4895495	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+NH4"	19.041099
"723793"	228.4740495	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+NH4"	19.041099
"1477490"	82.5050495	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+NH4"	19.041099
"396294"	314.927218	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Na"	22.989218
"757656"	460.896218	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Na"	22.989218
"1605756"	168.958218	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na"	22.989218
"318712"	157.967247	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+Na"	23.996494
"715509"	230.951747	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+Na"	23.996494
"1476018"	84.982747	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+Na"	23.996494
"1066586"	56.9909233333333	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2H+Na"	25.00377
"1271795"	179.002486	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+CH3OH+H"	33.033486
"391584"	330.901158	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+K"	38.963158
"752940"	476.870158	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+K"	38.963158
"1552441"	184.932158	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K"	38.963158
"307427"	165.954217	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+H+K"	39.970434
"703127"	238.938717	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+H+K"	39.970434
"1456951"	92.969717	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+K"	39.970434
"245550"	333.971826	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+ACN+H"	42.033826
"1218258"	188.002826	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+H"	42.033826
"1201047"	94.505051	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+2H"	43.041102
"198293"	336.90916	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Na-H"	44.97116
"635667"	482.87816	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Na-H"	44.97116
"1135895"	190.94016	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Na-H"	44.97116
"180644"	168.958218	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2Na"	45.978436
"623122"	241.942718	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2Na"	45.978436
"1129791"	95.973718	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2Na"	45.978436
"1413196"	64.3182373333333	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+2Na"	46.985712
"1444340"	192.981746	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+HCOOH"	47.012746
"234766"	173.99124	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+3H2O+2H"	56.04448
"1518933"	207.03379	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+IsoProp+H"	61.06479
"422630"	176.945188	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+Na+K"	61.952376
"778521"	249.929688	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+Na+K"	61.952376
"1672665"	103.960688	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+K"	61.952376
"256998"	355.953768	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+ACN+Na"	64.015768
"1227518"	209.984768	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+ACN+Na"	64.015768
"1714943"	210.008293	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4+HCOOH"	64.039293
"1183942"	71.6455513333333	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3Na"	68.967654
"1654928"	214.963688	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+HCOOH"	68.994688
"160702"	368.85704	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2K-H"	76.91904
"599290"	514.82604	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2K-H"	76.91904
"1096808"	222.88804	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K-H"	76.91904
"152531"	184.932158	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"2M+2K"	77.926316
"593184"	257.916658	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"3M+2K"	77.926316
"1072233"	111.947658	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K"	77.926316
"1108724"	224.902592	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2K+H"	78.933592
"1347296"	224.990207	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+DMSO+H"	79.021207
"1010361"	229.029376	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2ACN+H"	83.060376
"1525569"	230.023008	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+IsoProp+Na+H"	84.054008
"990314"	115.018326	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+2ACN+2H"	84.067652
"1595999"	230.937628	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K+HCOOH"	84.968628
"1419471"	260.969138	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+H+CF3COOH"	115.000138
"1155226"	135.531601	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+3ACN+2H"	125.094202
"1703685"	277.995685	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+NH4+CF3COOH"	132.026685
"1638242"	282.95108	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+Na+CF3COOH"	136.98208
"1571380"	298.92502	"C19397"	"13-Dichlorobenzene;meta-Dichlorobenzene"	"C6H4Cl2"	"145.969"	"M+K+CF3COOH"	152.95602
"806451"	123.9847	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M"	0
"986542"	104.96631	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-H2O-H"	-19.01839
"74787"	81.6491906666667	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M-3H"	-3.021828
"516903"	122.977424	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M-3H"	-3.021828
"893244"	40.3209573333333	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-3H"	-3.021828
"14009"	122.977424	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M-2H"	-2.014552
"452469"	184.969774	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M-2H"	-2.014552
"824803"	60.985074	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-2H"	-2.014552
"79690"	246.962124	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M-H"	-1.007276
"525451"	370.946824	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M-H"	-1.007276
"896816"	122.977424	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-H"	-1.007276
"47540"	263.988671	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M-2H+NH4"	16.019271
"488202"	387.973371	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M-2H+NH4"	16.019271
"872812"	140.003971	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-2H+NH4"	16.019271
"35245"	268.944066	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M-2H+Na"	20.974666
"478086"	392.928766	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M-2H+Na"	20.974666
"862454"	144.959366	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-2H+Na"	20.974666
"1631988"	144.959366	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Na-2H"	20.974666
"107788"	140.965763	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M-H+Cl"	33.962126
"547347"	202.958113	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M-H+Cl"	33.962126
"939039"	78.973413	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-H+Cl"	33.962126
"276868"	282.938802	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+Cl"	34.969402
"674879"	406.923502	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+Cl"	34.969402
"1288057"	158.954102	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Cl"	34.969402
"23158"	284.918006	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M-2H+K"	36.948606
"468184"	408.902706	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M-2H+K"	36.948606
"843798"	160.933306	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-2H+K"	36.948606
"1570567"	160.933306	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+K-2H"	36.948606
"957358"	168.982894	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-H+HCOOH"	44.998194
"376303"	292.967601	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+HCOOH-H"	44.998201
"356904"	306.983251	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+Hac-H"	59.013851
"1504644"	182.998551	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Hac-H"	59.013851
"962718"	190.964851	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-H+NaCOOH"	66.980151
"110648"	158.954102	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+2Cl"	69.938804
"550811"	220.946452	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+2Cl"	69.938804
"1021924"	96.961752	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2Cl"	69.938804
"1250499"	202.903585	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Br"	78.918885
"1311854"	204.959572	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Cl+HCOOH"	80.974872
"1328258"	226.941529	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Cl+NaCOOH"	102.956829
"920410"	236.970286	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M-H+CF3COOH"	112.985586
"1291651"	272.946964	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Cl+CF3COOH"	148.962264
"1381477"	88.972024	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H-2H2O"	-35.012676
"1394964"	106.982	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H-H2O"	-17.0027
"290275"	248.976676	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+H"	1.007276
"684883"	372.961376	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+H"	1.007276
"1361234"	124.991976	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H"	1.007276
"133031"	124.991976	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+2H"	2.014552
"579154"	186.984326	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+2H"	2.014552
"1043578"	62.999626	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2H"	2.014552
"207467"	83.6637426666667	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+3H"	3.021828
"648853"	124.991976	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+3H"	3.021828
"1164066"	42.3355093333333	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+3H"	3.021828
"429525"	266.003223	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+NH4"	18.033823
"787115"	389.987923	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+NH4"	18.033823
"1681357"	142.018523	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+NH4"	18.033823
"330341"	133.5052495	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+H+NH4"	19.041099
"723538"	195.4975995	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+H+NH4"	19.041099
"1478816"	71.5128995	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H+NH4"	19.041099
"394945"	270.958618	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+Na"	22.989218
"758495"	394.943318	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+Na"	22.989218
"1606593"	146.973918	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Na"	22.989218
"323199"	135.982947	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+H+Na"	23.996494
"716714"	197.975297	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+H+Na"	23.996494
"1475641"	73.990597	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H+Na"	23.996494
"1067188"	49.6628233333333	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2H+Na"	25.00377
"1271657"	157.018186	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+CH3OH+H"	33.033486
"391327"	286.932558	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+K"	38.963158
"753783"	410.917258	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+K"	38.963158
"1550364"	162.947858	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+K"	38.963158
"306446"	143.969917	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+H+K"	39.970434
"697774"	205.962267	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+H+K"	39.970434
"1452687"	81.977567	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H+K"	39.970434
"246754"	290.003226	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+ACN+H"	42.033826
"1217275"	166.018526	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+ACN+H"	42.033826
"1202253"	83.512901	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+ACN+2H"	43.041102
"199500"	292.94056	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+2Na-H"	44.97116
"635780"	416.92526	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+2Na-H"	44.97116
"1137099"	168.95586	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2Na-H"	44.97116
"180390"	146.973918	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+2Na"	45.978436
"623232"	208.966268	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+2Na"	45.978436
"1128928"	84.981568	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2Na"	45.978436
"1412453"	56.9901373333333	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H+2Na"	46.985712
"1445301"	170.997446	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H+HCOOH"	47.012746
"233900"	152.00694	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+3H2O+2H"	56.04448
"1522326"	185.04949	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+IsoProp+H"	61.06479
"421281"	154.960888	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+Na+K"	61.952376
"773164"	216.953238	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+Na+K"	61.952376
"1672775"	92.968538	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Na+K"	61.952376
"253823"	311.985168	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+ACN+Na"	64.015768
"1226899"	188.000468	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+ACN+Na"	64.015768
"1716512"	188.023993	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+NH4+HCOOH"	64.039293
"1181500"	64.3174513333333	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+3Na"	68.967654
"1652851"	192.979388	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Na+HCOOH"	68.994688
"161905"	324.88844	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+2K-H"	76.91904
"600372"	448.87314	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+2K-H"	76.91904
"1092541"	200.90374	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2K-H"	76.91904
"148267"	162.947858	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"2M+2K"	77.926316
"588920"	224.940208	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"3M+2K"	77.926316
"1072343"	100.955508	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2K"	77.926316
"1107740"	202.918292	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2K+H"	78.933592
"1343032"	203.005907	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+DMSO+H"	79.021207
"1009378"	207.045076	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2ACN+H"	83.060376
"1525799"	208.038708	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+IsoProp+Na+H"	84.054008
"992856"	104.026176	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+2ACN+2H"	84.067652
"1590640"	208.953328	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+K+HCOOH"	84.968628
"1418487"	238.984838	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+H+CF3COOH"	115.000138
"1155336"	124.539451	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+3ACN+2H"	125.094202
"1707075"	256.011385	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+NH4+CF3COOH"	132.026685
"1638352"	260.96678	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+Na+CF3COOH"	136.98208
"1571815"	276.94072	"C19398"	"trans-14-Dichlorobutene;trans-14-Dichloro-2-butene"	"C4H6Cl2"	"123.9847"	"M+K+CF3COOH"	152.95602
"803644"	175.9908	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M"	0
"986653"	156.97241	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-H2O-H"	-19.01839
"75991"	116.319924	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M-3H"	-3.021828
"515551"	174.983524	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M-3H"	-3.021828
"895611"	57.656324	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-3H"	-3.021828
"11925"	174.983524	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M-2H"	-2.014552
"448204"	262.978924	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M-2H"	-2.014552
"820902"	86.988124	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-2H"	-2.014552
"80165"	350.974324	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M-H"	-1.007276
"523375"	526.965124	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M-H"	-1.007276
"896805"	174.983524	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-H"	-1.007276
"47407"	368.000871	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M-2H+NH4"	16.019271
"488921"	543.991671	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M-2H+NH4"	16.019271
"874016"	192.010071	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-2H+NH4"	16.019271
"36448"	372.956266	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M-2H+Na"	20.974666
"478196"	548.947066	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M-2H+Na"	20.974666
"860012"	196.965466	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-2H+Na"	20.974666
"1632097"	196.965466	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Na-2H"	20.974666
"109903"	192.971863	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M-H+Cl"	33.962126
"545270"	280.967263	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M-H+Cl"	33.962126
"942067"	104.976463	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-H+Cl"	33.962126
"276613"	386.951002	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+Cl"	34.969402
"675273"	562.941802	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+Cl"	34.969402
"1288253"	210.960202	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Cl"	34.969402
"23268"	388.930206	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M-2H+K"	36.948606
"460640"	564.921006	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M-2H+K"	36.948606
"838441"	212.939406	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-2H+K"	36.948606
"1568126"	212.939406	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+K-2H"	36.948606
"953093"	220.988994	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-H+HCOOH"	44.998194
"369122"	396.979801	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+HCOOH-H"	44.998201
"354098"	410.995451	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+Hac-H"	59.013851
"1502931"	235.004651	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Hac-H"	59.013851
"965016"	242.970951	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-H+NaCOOH"	66.980151
"110515"	210.960202	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+2Cl"	69.938804
"550801"	298.955602	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+2Cl"	69.938804
"1021670"	122.964802	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2Cl"	69.938804
"1250609"	254.909685	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Br"	78.918885
"1311964"	256.965672	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Cl+HCOOH"	80.974872
"1331649"	278.947629	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Cl+NaCOOH"	102.956829
"920520"	288.976386	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M-H+CF3COOH"	112.985586
"1295042"	324.953064	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Cl+CF3COOH"	148.962264
"1377577"	140.978124	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H-2H2O"	-35.012676
"1392888"	158.9881	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H-H2O"	-17.0027
"288200"	352.988876	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+H"	1.007276
"683900"	528.979676	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+H"	1.007276
"1360251"	176.998076	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H"	1.007276
"132048"	176.998076	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+2H"	2.014552
"570516"	264.993476	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+2H"	2.014552
"1042595"	89.002676	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2H"	2.014552
"207941"	118.334476	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+3H"	3.021828
"647503"	176.998076	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+3H"	3.021828
"1165999"	59.670876	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+3H"	3.021828
"427449"	370.015423	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+NH4"	18.033823
"788077"	546.006223	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+NH4"	18.033823
"1681387"	194.024623	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+NH4"	18.033823
"330209"	185.5113495	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+H+NH4"	19.041099
"723281"	273.5067495	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+H+NH4"	19.041099
"1479290"	97.5159495	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H+NH4"	19.041099
"397241"	374.970818	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+Na"	22.989218
"757876"	550.961618	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+Na"	22.989218
"1605610"	198.980018	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Na"	22.989218
"327684"	187.989047	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+H+Na"	23.996494
"715730"	275.984447	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+H+Na"	23.996494
"1476115"	99.993647	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H+Na"	23.996494
"1066811"	66.99819	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2H+Na"	25.00377
"1271409"	209.024286	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+CH3OH+H"	33.033486
"391803"	390.944758	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+K"	38.963158
"754017"	566.935558	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+K"	38.963158
"1549381"	214.953958	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+K"	38.963158
"310931"	195.976017	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+H+K"	39.970434
"696791"	283.971417	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+H+K"	39.970434
"1456079"	107.980617	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H+K"	39.970434
"244679"	394.015426	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+ACN+H"	42.033826
"1219573"	218.024626	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+ACN+H"	42.033826
"1200177"	109.515951	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+ACN+2H"	43.041102
"198516"	396.95276	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+2Na-H"	44.97116
"634067"	572.94356	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+2Na-H"	44.97116
"1137937"	220.96196	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2Na-H"	44.97116
"179771"	198.980018	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+2Na"	45.978436
"622249"	286.975418	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+2Na"	45.978436
"1129402"	110.984618	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2Na"	45.978436
"1413576"	74.325504	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H+2Na"	46.985712
"1445513"	223.003546	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H+HCOOH"	47.012746
"235025"	204.01304	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+3H2O+2H"	56.04448
"1520978"	237.05559	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+IsoProp+H"	61.06479
"420664"	206.966988	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+Na+K"	61.952376
"778741"	294.962388	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+Na+K"	61.952376
"1672885"	118.971588	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Na+K"	61.952376
"253568"	415.997368	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+ACN+Na"	64.015768
"1227373"	240.006568	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+ACN+Na"	64.015768
"1714071"	240.030093	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+NH4+HCOOH"	64.039293
"1181610"	81.652818	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+3Na"	68.967654
"1652595"	244.985488	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Na+HCOOH"	68.994688
"162015"	428.90064	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+2K-H"	76.91904
"599510"	604.89144	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+2K-H"	76.91904
"1092651"	252.90984	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2K-H"	76.91904
"155546"	214.953958	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"2M+2K"	77.926316
"589029"	302.949358	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"3M+2K"	77.926316
"1073546"	126.958558	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2K"	77.926316
"1104570"	254.924392	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2K+H"	78.933592
"1346421"	255.012007	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+DMSO+H"	79.021207
"1013860"	259.051176	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2ACN+H"	83.060376
"1527612"	260.044808	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+IsoProp+Na+H"	84.054008
"992966"	130.029226	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+2ACN+2H"	84.067652
"1592937"	260.959428	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+K+HCOOH"	84.968628
"1420784"	290.990938	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+H+CF3COOH"	115.000138
"1155446"	150.542501	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+3ACN+2H"	125.094202
"1707185"	308.017485	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+NH4+CF3COOH"	132.026685
"1638462"	312.97288	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+Na+CF3COOH"	136.98208
"1572290"	328.94682	"C19399"	"26-Dichloro-para-phenylenediamine;26-Dichloro-14-benzenediamine"	"C6H6Cl2N2"	"175.9908"	"M+K+CF3COOH"	152.95602
"802297"	132.0721	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M"	0
"986763"	113.05371	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-H2O-H"	-19.01839
"76102"	87.0407906666667	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M-3H"	-3.021828
"516755"	131.064824	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M-3H"	-3.021828
"894437"	43.0167573333333	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-3H"	-3.021828
"12035"	131.064824	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M-2H"	-2.014552
"447221"	197.100874	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M-2H"	-2.014552
"821012"	65.028774	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-2H"	-2.014552
"81004"	263.136924	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M-H"	-1.007276
"523485"	395.209024	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M-H"	-1.007276
"896790"	131.064824	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-H"	-1.007276
"47641"	280.163471	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M-2H+NH4"	16.019271
"487282"	412.235571	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M-2H+NH4"	16.019271
"869751"	148.091371	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-2H+NH4"	16.019271
"35464"	285.118866	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M-2H+Na"	20.974666
"477211"	417.190966	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M-2H+Na"	20.974666
"861579"	153.046766	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-2H+Na"	20.974666
"1630748"	153.046766	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Na-2H"	20.974666
"108737"	149.053163	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M-H+Cl"	33.962126
"547931"	215.089213	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M-H+Cl"	33.962126
"941570"	83.017113	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-H+Cl"	33.962126
"281829"	299.113602	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+Cl"	34.969402
"670601"	431.185702	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+Cl"	34.969402
"1287382"	167.041502	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Cl"	34.969402
"23378"	301.092806	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M-2H+K"	36.948606
"460749"	433.164906	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M-2H+K"	36.948606
"835997"	169.020706	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-2H+K"	36.948606
"1560946"	169.020706	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+K-2H"	36.948606
"953203"	177.070294	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-H+HCOOH"	44.998194
"368139"	309.142401	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+HCOOH-H"	44.998201
"350928"	323.158051	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+Hac-H"	59.013851
"1498668"	191.085951	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Hac-H"	59.013851
"964033"	199.052251	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-H+NaCOOH"	66.980151
"110037"	167.041502	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+2Cl"	69.938804
"550185"	233.077552	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+2Cl"	69.938804
"1021414"	101.005452	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2Cl"	69.938804
"1250719"	210.990985	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Br"	78.918885
"1310981"	213.046972	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Cl+HCOOH"	80.974872
"1331759"	235.028929	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Cl+NaCOOH"	102.956829
"920630"	245.057686	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M-H+CF3COOH"	112.985586
"1295152"	281.034364	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Cl+CF3COOH"	148.962264
"1372220"	97.059424	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H-2H2O"	-35.012676
"1389718"	115.0694	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H-H2O"	-17.0027
"288310"	265.151476	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+H"	1.007276
"684010"	397.223576	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+H"	1.007276
"1359268"	133.079376	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H"	1.007276
"129971"	133.079376	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+2H"	2.014552
"569532"	199.115426	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+2H"	2.014552
"1040153"	67.043326	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2H"	2.014552
"207322"	89.0553426666667	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+3H"	3.021828
"645545"	133.079376	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+3H"	3.021828
"1163553"	45.0313093333333	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+3H"	3.021828
"425734"	282.178023	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+NH4"	18.033823
"786119"	414.250123	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+NH4"	18.033823
"1681305"	150.105923	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+NH4"	18.033823
"330002"	141.5926495	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+H+NH4"	19.041099
"723062"	207.6286995	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+H+NH4"	19.041099
"1477098"	75.5565995	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H+NH4"	19.041099
"393579"	287.133418	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+Na"	22.989218
"755433"	419.205518	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+Na"	22.989218
"1605720"	155.061318	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Na"	22.989218
"327794"	144.070347	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+H+Na"	23.996494
"718027"	210.106397	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+H+Na"	23.996494
"1474041"	78.034297	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H+Na"	23.996494
"1064737"	52.3586233333333	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2H+Na"	25.00377
"1271519"	165.105586	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+CH3OH+H"	33.033486
"390457"	303.107358	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+K"	38.963158
"752546"	435.179458	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+K"	38.963158
"1549491"	171.035258	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+K"	38.963158
"309949"	152.057317	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+H+K"	39.970434
"696901"	218.093367	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+H+K"	39.970434
"1455096"	86.021267	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H+K"	39.970434
"243696"	306.178026	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+ACN+H"	42.033826
"1218590"	174.105926	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+ACN+H"	42.033826
"1200287"	87.556601	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+ACN+2H"	43.041102
"197533"	309.11536	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+2Na-H"	44.97116
"634177"	441.18746	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+2Na-H"	44.97116
"1136226"	177.04326	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2Na-H"	44.97116
"179517"	155.061318	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+2Na"	45.978436
"623452"	221.097368	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+2Na"	45.978436
"1129512"	89.025268	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2Na"	45.978436
"1412308"	59.6859373333333	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H+2Na"	46.985712
"1445440"	179.084846	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H+HCOOH"	47.012746
"235094"	160.09434	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+3H2O+2H"	56.04448
"1521088"	193.13689	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+IsoProp+H"	61.06479
"421137"	163.048288	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+Na+K"	61.952376
"778851"	229.084338	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+Na+K"	61.952376
"1670079"	97.012238	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Na+K"	61.952376
"254043"	328.159968	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+ACN+Na"	64.015768
"1227847"	196.087868	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+ACN+Na"	64.015768
"1715639"	196.111393	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+NH4+HCOOH"	64.039293
"1181356"	67.0132513333333	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+3Na"	68.967654
"1652705"	201.066788	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Na+HCOOH"	68.994688
"161032"	341.06324	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+2K-H"	76.91904
"599620"	473.13534	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+2K-H"	76.91904
"1090572"	208.99114	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2K-H"	76.91904
"148486"	171.035258	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"2M+2K"	77.926316
"586951"	237.071308	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"3M+2K"	77.926316
"1073656"	104.999208	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2K"	77.926316
"1107960"	211.005692	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2K+H"	78.933592
"1345438"	211.093307	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+DMSO+H"	79.021207
"1016524"	215.132476	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2ACN+H"	83.060376
"1532096"	216.126108	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+IsoProp+Na+H"	84.054008
"998544"	108.069876	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+2ACN+2H"	84.067652
"1595234"	217.040728	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+K+HCOOH"	84.968628
"1423081"	247.072238	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+H+CF3COOH"	115.000138
"1155556"	128.583151	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+3ACN+2H"	125.094202
"1707295"	264.098785	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+NH4+CF3COOH"	132.026685
"1638572"	269.05418	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+Na+CF3COOH"	136.98208
"1574223"	285.02812	"C19400"	"NN-Diethylthiourea;13-Diethyl-2-thiourea"	"C5H12N2S"	"132.0721"	"M+K+CF3COOH"	152.95602
"810062"	204.0939	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M"	0
"989064"	185.07551	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-H2O-H"	-19.01839
"76212"	135.055324	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M-3H"	-3.021828
"517720"	203.086624	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M-3H"	-3.021828
"894544"	67.024024	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-3H"	-3.021828
"12145"	203.086624	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M-2H"	-2.014552
"447331"	305.133574	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M-2H"	-2.014552
"821122"	101.039674	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-2H"	-2.014552
"79776"	407.180524	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M-H"	-1.007276
"523595"	611.274424	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M-H"	-1.007276
"901399"	203.086624	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-H"	-1.007276
"47753"	424.207071	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M-2H+NH4"	16.019271
"488777"	628.300971	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M-2H+NH4"	16.019271
"874234"	220.113171	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-2H+NH4"	16.019271
"41041"	429.162466	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M-2H+Na"	20.974666
"480601"	633.256366	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M-2H+Na"	20.974666
"863394"	225.068566	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-2H+Na"	20.974666
"1633417"	225.068566	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Na-2H"	20.974666
"107753"	221.074963	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M-H+Cl"	33.962126
"547192"	323.121913	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M-H+Cl"	33.962126
"941929"	119.028013	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-H+Cl"	33.962126
"282191"	443.157202	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+Cl"	34.969402
"674850"	647.251102	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+Cl"	34.969402
"1287131"	239.063302	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Cl"	34.969402
"21300"	445.136406	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M-2H+K"	36.948606
"461952"	649.230306	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M-2H+K"	36.948606
"837568"	241.042506	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-2H+K"	36.948606
"1559596"	241.042506	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+K-2H"	36.948606
"953679"	249.092094	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-H+HCOOH"	44.998194
"371529"	453.186001	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+HCOOH-H"	44.998201
"355048"	467.201651	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+Hac-H"	59.013851
"1502790"	263.107751	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Hac-H"	59.013851
"959768"	271.074051	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-H+NaCOOH"	66.980151
"110859"	239.063302	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+2Cl"	69.938804
"551511"	341.110252	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+2Cl"	69.938804
"1022862"	137.016352	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2Cl"	69.938804
"1251922"	283.012785	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Br"	78.918885
"1312184"	285.068772	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Cl+HCOOH"	80.974872
"1328589"	307.050729	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Cl+NaCOOH"	102.956829
"917460"	317.079486	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M-H+CF3COOH"	112.985586
"1289793"	353.056164	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Cl+CF3COOH"	148.962264
"1373424"	169.081224	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H-2H2O"	-35.012676
"1387642"	187.0912	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H-H2O"	-17.0027
"294981"	409.195076	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+H"	1.007276
"684121"	613.288976	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+H"	1.007276
"1364483"	205.101176	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H"	1.007276
"133362"	205.101176	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+2H"	2.014552
"575110"	307.148126	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+2H"	2.014552
"1046096"	103.054226	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2H"	2.014552
"213996"	137.069876	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+3H"	3.021828
"649182"	205.101176	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+3H"	3.021828
"1166217"	69.038576	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+3H"	3.021828
"426571"	426.221623	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+NH4"	18.033823
"787200"	630.315523	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+NH4"	18.033823
"1683042"	222.127723	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+NH4"	18.033823
"331198"	213.6144495	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+H+NH4"	19.041099
"723377"	315.6613995	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+H+NH4"	19.041099
"1477686"	111.5674995	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H+NH4"	19.041099
"393813"	431.177018	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+Na"	22.989218
"759919"	635.270918	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+Na"	22.989218
"1606194"	227.083118	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Na"	22.989218
"327543"	216.092147	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+H+Na"	23.996494
"718866"	318.139097	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+H+Na"	23.996494
"1475967"	114.045197	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H+Na"	23.996494
"1067271"	76.36589	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2H+Na"	25.00377
"1269437"	237.127386	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+CH3OH+H"	33.033486
"391296"	447.150958	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+K"	38.963158
"754145"	651.244858	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+K"	38.963158
"1554709"	243.057058	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+K"	38.963158
"313218"	224.079117	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+H+K"	39.970434
"700291"	326.126067	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+H+K"	39.970434
"1454112"	122.032167	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H+K"	39.970434
"245628"	450.221626	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+ACN+H"	42.033826
"1216513"	246.127726	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+ACN+H"	42.033826
"1201490"	123.567501	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+ACN+2H"	43.041102
"201654"	453.15896	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+2Na-H"	44.97116
"636110"	657.25286	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+2Na-H"	44.97116
"1142532"	249.06506	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2Na-H"	44.97116
"182907"	227.083118	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+2Na"	45.978436
"624655"	329.130068	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+2Na"	45.978436
"1130716"	125.036168	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2Na"	45.978436
"1413268"	83.693204	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H+2Na"	46.985712
"1443811"	251.106646	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H+HCOOH"	47.012746
"234841"	232.11614	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+3H2O+2H"	56.04448
"1523021"	265.15869	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+IsoProp+H"	61.06479
"420153"	235.070088	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+Na+K"	61.952376
"775681"	337.117038	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+Na+K"	61.952376
"1673105"	133.023138	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Na+K"	61.952376
"254153"	472.203568	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+ACN+Na"	64.015768
"1227957"	268.109668	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+ACN+Na"	64.015768
"1716842"	268.133193	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+NH4+HCOOH"	64.039293
"1182195"	91.020518	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+3Na"	68.967654
"1652086"	273.088588	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Na+HCOOH"	68.994688
"158955"	485.10684	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+2K-H"	76.91904
"600702"	689.20074	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+2K-H"	76.91904
"1088495"	281.01294	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2K-H"	76.91904
"148596"	243.057058	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"2M+2K"	77.926316
"588155"	345.104008	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"3M+2K"	77.926316
"1077776"	141.010108	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2K"	77.926316
"1109531"	283.027492	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2K+H"	78.933592
"1345915"	283.115107	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+DMSO+H"	79.021207
"1019915"	287.154276	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2ACN+H"	83.060376
"1535124"	288.147908	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+IsoProp+Na+H"	84.054008
"1002665"	144.080776	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+2ACN+2H"	84.067652
"1599719"	289.062528	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+K+HCOOH"	84.968628
"1423191"	319.094038	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+H+CF3COOH"	115.000138
"1156759"	164.594051	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+3ACN+2H"	125.094202
"1707405"	336.120585	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+NH4+CF3COOH"	132.026685
"1637588"	341.07598	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+Na+CF3COOH"	136.98208
"1574333"	357.04992	"C19401"	"Dihydroaceanthrylene;12-Dihydroaceanthrylene"	"C16H12"	"204.0939"	"M+K+CF3COOH"	152.95602
"802515"	174.0892	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M"	0
"978236"	155.07081	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-H2O-H"	-19.01839
"73041"	115.052190666667	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M-3H"	-3.021828
"513692"	173.081924	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M-3H"	-3.021828
"891495"	57.0224573333333	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-3H"	-3.021828
"12255"	173.081924	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M-2H"	-2.014552
"444524"	260.126524	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M-2H"	-2.014552
"820139"	86.037324	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-2H"	-2.014552
"79279"	347.171124	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M-H"	-1.007276
"520789"	521.260324	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M-H"	-1.007276
"903696"	173.081924	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-H"	-1.007276
"50417"	364.197671	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M-2H+NH4"	16.019271
"488274"	538.286871	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M-2H+NH4"	16.019271
"874344"	190.108471	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-2H+NH4"	16.019271
"37871"	369.153066	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M-2H+Na"	20.974666
"480711"	543.242266	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M-2H+Na"	20.974666
"863504"	195.063866	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-2H+Na"	20.974666
"1632797"	195.063866	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Na-2H"	20.974666
"107863"	191.070263	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M-H+Cl"	33.962126
"548153"	278.114863	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M-H+Cl"	33.962126
"941431"	104.025663	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-H+Cl"	33.962126
"282056"	383.147802	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+Cl"	34.969402
"674354"	557.237002	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+Cl"	34.969402
"1287608"	209.058602	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Cl"	34.969402
"21045"	385.127006	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M-2H+K"	36.948606
"462062"	559.216206	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M-2H+K"	36.948606
"836946"	211.037806	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-2H+K"	36.948606
"1559707"	211.037806	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+K-2H"	36.948606
"953789"	219.087394	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-H+HCOOH"	44.998194
"370546"	393.176601	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+HCOOH-H"	44.998201
"359776"	407.192251	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+Hac-H"	59.013851
"1501078"	233.103051	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Hac-H"	59.013851
"960962"	241.069351	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-H+NaCOOH"	66.980151
"110605"	209.058602	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+2Cl"	69.938804
"551619"	296.103202	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+2Cl"	69.938804
"1022972"	122.014002	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2Cl"	69.938804
"1242191"	253.008085	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Br"	78.918885
"1306825"	255.064072	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Cl+HCOOH"	80.974872
"1322501"	277.046029	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Cl+NaCOOH"	102.956829
"913195"	287.074786	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M-H+CF3COOH"	112.985586
"1290631"	323.051464	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Cl+CF3COOH"	148.962264
"1370254"	139.076524	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H-2H2O"	-35.012676
"1384472"	157.0865	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H-H2O"	-17.0027
"291811"	349.185676	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+H"	1.007276
"685324"	523.274876	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+H"	1.007276
"1364956"	175.096476	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H"	1.007276
"134565"	175.096476	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+2H"	2.014552
"571940"	262.141076	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+2H"	2.014552
"1045113"	88.051876	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2H"	2.014552
"210096"	117.066742666667	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+3H"	3.021828
"647833"	175.096476	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+3H"	3.021828
"1167054"	59.0370093333333	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+3H"	3.021828
"425950"	366.212223	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+NH4"	18.033823
"785967"	540.301423	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+NH4"	18.033823
"1681693"	192.123023	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+NH4"	18.033823
"330701"	183.6097495	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+H+NH4"	19.041099
"725803"	270.6543495	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+H+NH4"	19.041099
"1477210"	96.5651495	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H+NH4"	19.041099
"393433"	371.167618	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+Na"	22.989218
"757839"	545.256818	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+Na"	22.989218
"1605938"	197.078418	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Na"	22.989218
"327649"	186.087447	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+H+Na"	23.996494
"719340"	273.132047	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+H+Na"	23.996494
"1474254"	99.042847	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H+Na"	23.996494
"1066406"	66.3643233333333	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2H+Na"	25.00377
"1268084"	207.122686	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+CH3OH+H"	33.033486
"390305"	387.141558	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+K"	38.963158
"749842"	561.230758	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+K"	38.963158
"1554212"	213.052358	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+K"	38.963158
"311990"	194.074417	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+H+K"	39.970434
"700401"	281.119017	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+H+K"	39.970434
"1456773"	107.029817	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H+K"	39.970434
"245007"	390.212226	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+ACN+H"	42.033826
"1220998"	216.123026	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+ACN+H"	42.033826
"1203789"	108.565151	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+ACN+2H"	43.041102
"201763"	393.14956	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+2Na-H"	44.97116
"639501"	567.23876	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+2Na-H"	44.97116
"1137903"	219.06036	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2Na-H"	44.97116
"184111"	197.078418	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+2Na"	45.978436
"627928"	284.123018	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+2Na"	45.978436
"1130470"	110.033818	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2Na"	45.978436
"1412778"	73.6916373333333	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H+2Na"	46.985712
"1445137"	221.101946	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H+HCOOH"	47.012746
"233980"	202.11144	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+3H2O+2H"	56.04448
"1523130"	235.15399	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+IsoProp+H"	61.06479
"421358"	205.065388	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+Na+K"	61.952376
"776885"	292.109988	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+Na+K"	61.952376
"1675402"	118.020788	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Na+K"	61.952376
"255725"	412.194168	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+ACN+Na"	64.015768
"1231351"	238.104968	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+ACN+Na"	64.015768
"1719143"	238.128493	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+NH4+HCOOH"	64.039293
"1182674"	81.0189513333333	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+3Na"	68.967654
"1652203"	243.083888	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Na+HCOOH"	68.994688
"158700"	425.09744	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+2K-H"	76.91904
"601178"	599.18664	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+2K-H"	76.91904
"1094076"	251.00824	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2K-H"	76.91904
"155267"	213.052358	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"2M+2K"	77.926316
"592641"	300.096958	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"3M+2K"	77.926316
"1079343"	126.007758	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2K"	77.926316
"1111461"	253.022792	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2K+H"	78.933592
"1342377"	253.110407	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+DMSO+H"	79.021207
"1017472"	257.149576	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2ACN+H"	83.060376
"1534502"	258.143208	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+IsoProp+Na+H"	84.054008
"998764"	129.078426	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+2ACN+2H"	84.067652
"1598734"	259.057828	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+K+HCOOH"	84.968628
"1424394"	289.089338	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+H+CF3COOH"	115.000138
"1159056"	149.591701	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+3ACN+2H"	125.094202
"1704235"	306.115885	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+NH4+CF3COOH"	132.026685
"1638792"	311.07128	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+Na+CF3COOH"	136.98208
"1573714"	327.04522	"C19402"	"Dimethoxane"	"C8H14O4"	"174.0892"	"M+K+CF3COOH"	152.95602
"810281"	296.0797	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M"	0
"983813"	277.06131	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-H2O-H"	-19.01839
"77283"	196.379190666667	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M-3H"	-3.021828
"513802"	295.072424	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M-3H"	-3.021828
"893791"	97.6859573333333	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-3H"	-3.021828
"12365"	295.072424	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M-2H"	-2.014552
"443177"	443.112274	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M-2H"	-2.014552
"818792"	147.032574	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-2H"	-2.014552
"82065"	591.152124	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M-H"	-1.007276
"523815"	887.231824	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M-H"	-1.007276
"905993"	295.072424	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-H"	-1.007276
"59274"	608.178671	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M-2H+NH4"	16.019271
"490090"	904.258371	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M-2H+NH4"	16.019271
"865706"	312.098971	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-2H+NH4"	16.019271
"35794"	613.134066	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M-2H+Na"	20.974666
"478633"	909.213766	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M-2H+Na"	20.974666
"863739"	317.054366	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-2H+Na"	20.974666
"1633591"	317.054366	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Na-2H"	20.974666
"109479"	313.060763	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M-H+Cl"	33.962126
"548628"	461.100613	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M-H+Cl"	33.962126
"942392"	165.020913	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-H+Cl"	33.962126
"282535"	627.128802	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+Cl"	34.969402
"675071"	923.208502	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+Cl"	34.969402
"1288410"	331.049102	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Cl"	34.969402
"26988"	629.108006	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M-2H+K"	36.948606
"466546"	925.187706	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M-2H+K"	36.948606
"841069"	333.028306	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-2H+K"	36.948606
"1565651"	333.028306	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+K-2H"	36.948606
"955723"	341.077894	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-H+HCOOH"	44.998194
"375032"	637.157601	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+HCOOH-H"	44.998201
"360008"	651.173251	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+Hac-H"	59.013851
"1500096"	355.093551	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Hac-H"	59.013851
"961801"	363.059851	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-H+NaCOOH"	66.980151
"112175"	331.049102	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+2Cl"	69.938804
"550397"	479.088952	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+2Cl"	69.938804
"1022721"	183.009252	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2Cl"	69.938804
"1245581"	374.998585	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Br"	78.918885
"1308028"	377.054572	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Cl+HCOOH"	80.974872
"1325525"	399.036529	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Cl+NaCOOH"	102.956829
"917678"	409.065286	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M-H+CF3COOH"	112.985586
"1289648"	445.041964	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Cl+CF3COOH"	148.962264
"1369632"	261.067024	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H-2H2O"	-35.012676
"1387861"	279.077	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H-H2O"	-17.0027
"291920"	593.166676	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+H"	1.007276
"682155"	889.246376	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+H"	1.007276
"1364337"	297.086976	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H"	1.007276
"136859"	297.086976	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+2H"	2.014552
"573141"	445.126826	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+2H"	2.014552
"1046315"	149.047126	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2H"	2.014552
"210933"	198.393742666667	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+3H"	3.021828
"646848"	297.086976	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+3H"	3.021828
"1167530"	99.7005093333333	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+3H"	3.021828
"425455"	610.193223	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+NH4"	18.033823
"786691"	906.272923	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+NH4"	18.033823
"1682290"	314.113523	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+NH4"	18.033823
"332032"	305.6002495	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+H+NH4"	19.041099
"726277"	453.6400995	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+H+NH4"	19.041099
"1477033"	157.5603995	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H+NH4"	19.041099
"392949"	615.148618	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+Na"	22.989218
"755029"	911.228318	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+Na"	22.989218
"1604956"	319.068918	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Na"	22.989218
"319371"	308.077947	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+H+Na"	23.996494
"712886"	456.117797	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+H+Na"	23.996494
"1464521"	160.038097	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H+Na"	23.996494
"1058860"	107.027823333333	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2H+Na"	25.00377
"1262723"	329.113186	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+CH3OH+H"	33.033486
"385675"	631.122558	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+K"	38.963158
"744484"	927.202258	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+K"	38.963158
"1552737"	335.042858	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+K"	38.963158
"312100"	316.064917	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+H+K"	39.970434
"700511"	464.104767	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+H+K"	39.970434
"1456518"	168.025067	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H+K"	39.970434
"245117"	634.193226	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+ACN+H"	42.033826
"1222931"	338.113526	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+ACN+H"	42.033826
"1204991"	169.560401	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+ACN+2H"	43.041102
"198957"	637.13056	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+2Na-H"	44.97116
"636329"	933.21026	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+2Na-H"	44.97116
"1138013"	341.05086	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2Na-H"	44.97116
"179847"	319.068918	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+2Na"	45.978436
"628241"	467.108768	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+2Na"	45.978436
"1129478"	171.029068	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2Na"	45.978436
"1412887"	114.355137333333	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H+2Na"	46.985712
"1444025"	343.092446	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H+HCOOH"	47.012746
"229347"	324.10194	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+3H2O+2H"	56.04448
"1521782"	357.14449	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+IsoProp+H"	61.06479
"410168"	327.055888	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+Na+K"	61.952376
"775901"	475.095738	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+Na+K"	61.952376
"1677698"	179.016038	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Na+K"	61.952376
"258751"	656.175168	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+ACN+Na"	64.015768
"1232551"	360.095468	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+ACN+Na"	64.015768
"1714875"	360.118993	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+NH4+HCOOH"	64.039293
"1180228"	121.682451333333	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+3Na"	68.967654
"1651583"	365.074388	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Na+HCOOH"	68.994688
"157717"	669.07844	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+2K-H"	76.91904
"605300"	965.15814	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+2K-H"	76.91904
"1094186"	372.99874	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2K-H"	76.91904
"155021"	335.042858	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"2M+2K"	77.926316
"594938"	483.082708	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"3M+2K"	77.926316
"1080548"	187.003008	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2K"	77.926316
"1111935"	375.013292	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2K+H"	78.933592
"1345767"	375.100907	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+DMSO+H"	79.021207
"1019039"	379.140076	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2ACN+H"	83.060376
"1536435"	380.133708	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+IsoProp+Na+H"	84.054008
"1001059"	190.073676	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+2ACN+2H"	84.067652
"1601032"	381.048328	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+K+HCOOH"	84.968628
"1427784"	411.079838	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+H+CF3COOH"	115.000138
"1158072"	210.586951	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+3ACN+2H"	125.094202
"1704345"	428.106385	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+NH4+CF3COOH"	132.026685
"1638902"	433.06178	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+Na+CF3COOH"	136.98208
"1573460"	449.03572	"C19403"	"33-Dimethoxybenzidine-44-diisocyanate"	"C16H12N2O4"	"296.0797"	"M+K+CF3COOH"	152.95602
"801765"	214.063	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M"	0
"977727"	195.04461	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"69980"	141.701390666667	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"510632"	213.055724	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"889528"	70.3470573333333	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"9195"	213.055724	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"440167"	320.087224	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"817929"	106.024224	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"79988"	427.118724	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"521008"	641.181724	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"897108"	213.055724	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"47715"	444.145271	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"488371"	658.208271	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"866905"	230.082271	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"36994"	449.100666	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"476556"	663.163666	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"851807"	235.037666	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1622800"	235.037666	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"98234"	231.044063	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"549226"	338.075563	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"942694"	124.012563	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"282803"	463.095402	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"675463"	677.158402	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1288302"	249.032402	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"23817"	465.074606	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"465561"	679.137606	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"845188"	251.011606	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1566854"	251.011606	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"956197"	259.061194	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"375506"	473.124201	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"360118"	487.139851	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1498018"	273.076851	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"960453"	281.043151	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"112285"	249.032402	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"552936"	356.063902	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1023559"	142.000902	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1245691"	292.981885	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1312513"	295.037872	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1323448"	317.019829	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"918881"	327.048586	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1290122"	363.025264	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1369378"	179.050324	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1390158"	197.0603	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"295310"	429.133276	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"685545"	643.196276	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1364082"	215.070276	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H"	1.007276
"140128"	215.070276	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"575437"	322.101776	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1046426"	108.038776	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"211043"	143.715942666667	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"647322"	215.070276	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1165088"	72.3616093333333	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"425808"	446.159823	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"786437"	660.222823	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1683496"	232.096823	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"332142"	223.5835495	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"726387"	330.6150495	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1478015"	116.5520495	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"392871"	451.115218	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"754351"	665.178218	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1604698"	237.052218	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"319481"	226.061247	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"711903"	333.092747	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1465724"	119.029747	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1058970"	79.6889233333333	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1266116"	247.096486	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"386878"	467.089158	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"750062"	681.152158	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1549928"	253.026158	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K"	38.963158
"312937"	234.048217	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"703539"	341.079717	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1456628"	127.016717	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"247415"	470.159826	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1222312"	256.096826	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1206195"	128.552051	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"196880"	473.09716	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"636439"	687.16016	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1138123"	259.03416	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"179957"	237.052218	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"628194"	344.083718	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1129588"	130.020718	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1413603"	87.0162373333333	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1443041"	261.075746	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"229457"	242.08524	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1521891"	275.12779	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"413559"	245.039188	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"776011"	352.070688	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1674528"	138.007688	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"257767"	492.141768	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1231567"	278.078768	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1713889"	278.102293	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1179286"	94.3435513333333	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1653518"	283.057688	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"164755"	505.04504	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"606503"	719.10804	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1098308"	290.98204	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"156099"	253.026158	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"595177"	360.057658	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1080655"	145.994658	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1110588"	292.996592	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1345877"	293.084207	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1019149"	297.123376	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1536546"	298.117008	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"1002263"	149.065326	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1601506"	299.031628	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1422426"	329.063138	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1151621"	169.578601	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1707735"	346.089685	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1639012"	351.04508	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1573570"	367.01902	"C19404"	"44-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"801873"	214.063	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M"	0
"977473"	195.04461	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H2O-H"	-19.01839
"70090"	141.701390666667	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-3H"	-3.021828
"510742"	213.055724	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-3H"	-3.021828
"890731"	70.3470573333333	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-3H"	-3.021828
"9305"	213.055724	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H"	-2.014552
"440481"	320.087224	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H"	-2.014552
"817429"	106.024224	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H"	-2.014552
"79490"	427.118724	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-H"	-1.007276
"521847"	641.181724	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-H"	-1.007276
"896490"	213.055724	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H"	-1.007276
"47705"	444.145271	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H+NH4"	16.019271
"489575"	658.208271	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H+NH4"	16.019271
"867015"	230.082271	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H+NH4"	16.019271
"37104"	449.100666	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H+Na"	20.974666
"472778"	663.163666	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H+Na"	20.974666
"849041"	235.037666	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H+Na"	20.974666
"1621087"	235.037666	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na-2H"	20.974666
"99437"	231.044063	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-H+Cl"	33.962126
"548363"	338.075563	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-H+Cl"	33.962126
"942678"	124.012563	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+Cl"	33.962126
"282584"	463.095402	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Cl"	34.969402
"673342"	677.158402	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+Cl"	34.969402
"1287932"	249.032402	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl"	34.969402
"23927"	465.074606	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M-2H+K"	36.948606
"464578"	679.137606	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M-2H+K"	36.948606
"844934"	251.011606	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-2H+K"	36.948606
"1564777"	251.011606	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K-2H"	36.948606
"955942"	259.061194	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+HCOOH"	44.998194
"375251"	473.124201	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+HCOOH-H"	44.998201
"358042"	487.139851	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Hac-H"	59.013851
"1506148"	273.076851	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Hac-H"	59.013851
"968948"	281.043151	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+NaCOOH"	66.980151
"115671"	249.032402	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2Cl"	69.938804
"551709"	356.063902	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2Cl"	69.938804
"1025129"	142.000902	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2Cl"	69.938804
"1245801"	292.981885	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Br"	78.918885
"1312623"	295.037872	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl+HCOOH"	80.974872
"1323558"	317.019829	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl+NaCOOH"	102.956829
"918991"	327.048586	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M-H+CF3COOH"	112.985586
"1290597"	363.025264	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Cl+CF3COOH"	148.962264
"1367338"	179.050324	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H-2H2O"	-35.012676
"1386986"	197.0603	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H-H2O"	-17.0027
"288860"	429.133276	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H"	1.007276
"682375"	643.196276	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H"	1.007276
"1362003"	215.070276	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H"	1.007276
"137079"	215.070276	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2H"	2.014552
"574454"	322.101776	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2H"	2.014552
"1046536"	108.038776	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2H"	2.014552
"208236"	143.715942666667	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+3H"	3.021828
"646338"	215.070276	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+3H"	3.021828
"1165198"	72.3616093333333	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+3H"	3.021828
"425554"	446.159823	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+NH4"	18.033823
"786425"	660.222823	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+NH4"	18.033823
"1682146"	232.096823	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+NH4"	18.033823
"330301"	223.5835495	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H+NH4"	19.041099
"725765"	330.6150495	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H+NH4"	19.041099
"1477348"	116.5520495	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+NH4"	19.041099
"393071"	451.115218	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Na"	22.989218
"754761"	665.178218	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+Na"	22.989218
"1605901"	237.052218	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na"	22.989218
"316311"	226.061247	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H+Na"	23.996494
"708001"	333.092747	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H+Na"	23.996494
"1463646"	119.029747	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+Na"	23.996494
"1055795"	79.6889233333333	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2H+Na"	25.00377
"1260757"	247.096486	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+CH3OH+H"	33.033486
"383706"	467.089158	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+K"	38.963158
"744701"	681.152158	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+K"	38.963158
"1550038"	253.026158	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K"	38.963158
"308306"	234.048217	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+H+K"	39.970434
"704013"	341.079717	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+H+K"	39.970434
"1458560"	127.016717	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+K"	39.970434
"245337"	470.159826	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+ACN+H"	42.033826
"1220233"	256.096826	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+ACN+H"	42.033826
"1205210"	128.552051	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+ACN+2H"	43.041102
"196989"	473.09716	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2Na-H"	44.97116
"635456"	687.16016	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2Na-H"	44.97116
"1138962"	259.03416	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2Na-H"	44.97116
"181160"	237.052218	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2Na"	45.978436
"627778"	344.083718	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2Na"	45.978436
"1130553"	130.020718	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2Na"	45.978436
"1413229"	87.0162373333333	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+2Na"	46.985712
"1443151"	261.075746	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+HCOOH"	47.012746
"229567"	242.08524	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+3H2O+2H"	56.04448
"1518721"	275.12779	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+IsoProp+H"	61.06479
"413669"	245.039188	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+Na+K"	61.952376
"776485"	352.070688	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+Na+K"	61.952376
"1674638"	138.007688	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na+K"	61.952376
"258970"	492.141768	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+ACN+Na"	64.015768
"1231677"	278.078768	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+ACN+Na"	64.015768
"1713999"	278.102293	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+NH4+HCOOH"	64.039293
"1181907"	94.3435513333333	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+3Na"	68.967654
"1653628"	283.057688	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na+HCOOH"	68.994688
"162312"	505.04504	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2K-H"	76.91904
"601508"	719.10804	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2K-H"	76.91904
"1098419"	290.98204	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2K-H"	76.91904
"153409"	253.026158	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"2M+2K"	77.926316
"594436"	360.057658	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"3M+2K"	77.926316
"1081134"	145.994658	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2K"	77.926316
"1110698"	292.996592	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2K+H"	78.933592
"1340519"	293.084207	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+DMSO+H"	79.021207
"1018530"	297.123376	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2ACN+H"	83.060376
"1537385"	298.117008	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+IsoProp+Na+H"	84.054008
"1002009"	149.065326	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+2ACN+2H"	84.067652
"1600523"	299.031628	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K+HCOOH"	84.968628
"1422536"	329.063138	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+H+CF3COOH"	115.000138
"1151731"	169.578601	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+3ACN+2H"	125.094202
"1707845"	346.089685	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+NH4+CF3COOH"	132.026685
"1639122"	351.04508	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+Na+CF3COOH"	136.98208
"1573680"	367.01902	"C19405"	"45-Dimethylangelicin"	"C13H10O3"	"214.063"	"M+K+CF3COOH"	152.95602
"804050"	110.0133	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M"	0
"978676"	90.99491	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-H2O-H"	-19.01839
"70200"	72.334924	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M-3H"	-3.021828
"513039"	109.006024	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M-3H"	-3.021828
"893028"	35.663824	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-3H"	-3.021828
"8322"	109.006024	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M-2H"	-2.014552
"440711"	164.012674	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M-2H"	-2.014552
"824590"	53.999374	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-2H"	-2.014552
"79720"	219.019324	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M-H"	-1.007276
"521228"	329.032624	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M-H"	-1.007276
"897208"	109.006024	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-H"	-1.007276
"47314"	236.045871	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M-2H+NH4"	16.019271
"489685"	346.059171	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M-2H+NH4"	16.019271
"868218"	126.032571	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-2H+NH4"	16.019271
"37212"	241.001266	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M-2H+Na"	20.974666
"473494"	351.014566	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M-2H+Na"	20.974666
"853486"	130.987966	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-2H+Na"	20.974666
"1621927"	130.987966	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Na-2H"	20.974666
"99546"	126.994363	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M-H+Cl"	33.962126
"549086"	182.001013	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M-H+Cl"	33.962126
"942478"	71.987713	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-H+Cl"	33.962126
"282249"	254.996002	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+Cl"	34.969402
"673329"	365.009302	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+Cl"	34.969402
"1287436"	144.982702	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Cl"	34.969402
"24037"	256.975206	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M-2H+K"	36.948606
"465782"	366.988506	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M-2H+K"	36.948606
"847231"	146.961906	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-2H+K"	36.948606
"1568897"	146.961906	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+K-2H"	36.948606
"956782"	155.011494	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-H+HCOOH"	44.998194
"376090"	265.024801	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+HCOOH-H"	44.998201
"359245"	279.040451	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+Hac-H"	59.013851
"1506258"	169.027151	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Hac-H"	59.013851
"969058"	176.993451	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-H+NaCOOH"	66.980151
"119061"	144.982702	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+2Cl"	69.938804
"556435"	199.989352	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+2Cl"	69.938804
"1026327"	89.976052	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2Cl"	69.938804
"1248092"	188.932185	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Br"	78.918885
"1312733"	190.988172	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Cl+HCOOH"	80.974872
"1321844"	212.970129	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Cl+NaCOOH"	102.956829
"916912"	222.998886	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M-H+CF3COOH"	112.985586
"1292528"	258.975564	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Cl+CF3COOH"	148.962264
"1369596"	75.000624	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H-2H2O"	-35.012676
"1390375"	93.0106	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H-H2O"	-17.0027
"288970"	221.033876	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+H"	1.007276
"682485"	331.047176	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+H"	1.007276
"1358833"	111.020576	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H"	1.007276
"136096"	111.020576	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+2H"	2.014552
"578937"	166.027226	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+2H"	2.014552
"1049926"	56.013926	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2H"	2.014552
"212356"	74.349476	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+3H"	3.021828
"650823"	111.020576	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+3H"	3.021828
"1166037"	37.678376	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+3H"	3.021828
"425904"	238.060423	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+NH4"	18.033823
"788115"	348.073723	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+NH4"	18.033823
"1682379"	128.047123	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+NH4"	18.033823
"332357"	119.5338495	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+H+NH4"	19.041099
"724172"	174.5404995	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+H+NH4"	19.041099
"1478599"	64.5271995	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H+NH4"	19.041099
"394728"	243.015818	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+Na"	22.989218
"756822"	353.029118	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+Na"	22.989218
"1604919"	133.002518	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Na"	22.989218
"316421"	122.011547	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+H+Na"	23.996494
"713218"	177.018197	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+H+Na"	23.996494
"1468132"	67.004897	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H+Na"	23.996494
"1055542"	45.00569	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2H+Na"	25.00377
"1260867"	143.046786	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+CH3OH+H"	33.033486
"383816"	258.989758	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+K"	38.963158
"745905"	369.003058	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+K"	38.963158
"1549054"	148.976458	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+K"	38.963158
"306227"	129.998517	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+H+K"	39.970434
"698649"	185.005167	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+H+K"	39.970434
"1458666"	74.991867	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H+K"	39.970434
"245446"	262.060426	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+ACN+H"	42.033826
"1219249"	152.047126	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+ACN+H"	42.033826
"1206050"	76.527201	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+ACN+2H"	43.041102
"197099"	264.99776	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+2Na-H"	44.97116
"634835"	375.01106	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+2Na-H"	44.97116
"1138705"	154.98446	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2Na-H"	44.97116
"180901"	133.002518	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+2Na"	45.978436
"628008"	188.009168	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+2Na"	45.978436
"1130908"	77.995868	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2Na"	45.978436
"1413461"	52.333004	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H+2Na"	46.985712
"1443874"	157.026046	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H+HCOOH"	47.012746
"234420"	138.03554	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+3H2O+2H"	56.04448
"1521017"	171.07809	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+IsoProp+H"	61.06479
"420703"	140.989488	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+Na+K"	61.952376
"781698"	195.996138	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+Na+K"	61.952376
"1674747"	85.982838	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Na+K"	61.952376
"256892"	284.042368	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+ACN+Na"	64.015768
"1228506"	174.029068	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+ACN+Na"	64.015768
"1713056"	174.052593	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+NH4+HCOOH"	64.039293
"1179466"	59.660318	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+3Na"	68.967654
"1653738"	179.007988	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Na+HCOOH"	68.994688
"162058"	296.94564	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+2K-H"	76.91904
"601254"	406.95894	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+2K-H"	76.91904
"1099621"	186.93234	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2K-H"	76.91904
"150239"	148.976458	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"2M+2K"	77.926316
"594175"	203.983108	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"3M+2K"	77.926316
"1078686"	93.969808	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2K"	77.926316
"1105336"	188.946892	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2K+H"	78.933592
"1341721"	189.034507	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+DMSO+H"	79.021207
"1017546"	193.073676	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2ACN+H"	83.060376
"1537130"	194.067308	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+IsoProp+Na+H"	84.054008
"1003213"	97.040476	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+2ACN+2H"	84.067652
"1598081"	194.981928	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+K+HCOOH"	84.968628
"1424831"	225.013438	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+H+CF3COOH"	115.000138
"1154026"	117.553751	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+3ACN+2H"	125.094202
"1706862"	242.039985	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+NH4+CF3COOH"	132.026685
"1637045"	246.99538	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+Na+CF3COOH"	136.98208
"1573790"	262.96932	"C19406"	"Dimethyl hydrogen phosphite"	"C2H7O3P"	"110.0133"	"M+K+CF3COOH"	152.95602
"805254"	206.1096	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M"	0
"978057"	187.09121	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-H2O-H"	-19.01839
"70310"	136.399124	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M-3H"	-3.021828
"513149"	205.102324	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M-3H"	-3.021828
"892774"	67.695924	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-3H"	-3.021828
"7339"	205.102324	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M-2H"	-2.014552
"443618"	308.157124	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M-2H"	-2.014552
"827617"	102.047524	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-2H"	-2.014552
"78976"	411.211924	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M-H"	-1.007276
"520245"	617.321524	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M-H"	-1.007276
"895973"	205.102324	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-H"	-1.007276
"47555"	428.238471	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M-2H+NH4"	16.019271
"487724"	634.348071	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M-2H+NH4"	16.019271
"865044"	222.128871	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-2H+NH4"	16.019271
"36229"	433.193866	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M-2H+Na"	20.974666
"473604"	639.303466	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M-2H+Na"	20.974666
"850801"	227.084266	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-2H+Na"	20.974666
"1622036"	227.084266	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Na-2H"	20.974666
"99656"	223.090663	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M-H+Cl"	33.962126
"548705"	326.145463	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M-H+Cl"	33.962126
"941861"	120.035863	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-H+Cl"	33.962126
"282112"	447.188602	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+Cl"	34.969402
"671373"	653.298202	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+Cl"	34.969402
"1287665"	241.079002	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Cl"	34.969402
"25237"	449.167806	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M-2H+K"	36.948606
"460423"	655.277406	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M-2H+K"	36.948606
"842600"	243.058206	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-2H+K"	36.948606
"1564994"	243.058206	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+K-2H"	36.948606
"951782"	251.107794	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-H+HCOOH"	44.998194
"373281"	457.217401	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+HCOOH-H"	44.998201
"353883"	471.233051	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+Hac-H"	59.013851
"1504540"	265.123451	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Hac-H"	59.013851
"964791"	273.089751	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-H+NaCOOH"	66.980151
"121357"	241.079002	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+2Cl"	69.938804
"551198"	344.133802	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+2Cl"	69.938804
"1021566"	138.024202	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2Cl"	69.938804
"1244923"	285.028485	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Br"	78.918885
"1308465"	287.084472	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Cl+HCOOH"	80.974872
"1321954"	309.066429	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Cl+NaCOOH"	102.956829
"914835"	319.095186	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M-H+CF3COOH"	112.985586
"1293729"	355.071864	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Cl+CF3COOH"	148.962264
"1368733"	171.096924	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H-2H2O"	-35.012676
"1385017"	189.1069	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H-H2O"	-17.0027
"287987"	413.226476	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+H"	1.007276
"679315"	619.336076	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+H"	1.007276
"1355663"	207.116876	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H"	1.007276
"131831"	207.116876	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+2H"	2.014552
"573578"	310.171676	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+2H"	2.014552
"1045658"	104.062076	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2H"	2.014552
"210279"	138.413676	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+3H"	3.021828
"648746"	207.116876	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+3H"	3.021828
"1166876"	69.710476	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+3H"	3.021828
"426866"	430.253023	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+NH4"	18.033823
"786401"	636.362623	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+NH4"	18.033823
"1682489"	224.143423	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+NH4"	18.033823
"331131"	215.6301495	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+H+NH4"	19.041099
"723919"	318.6849495	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+H+NH4"	19.041099
"1479079"	112.5753495	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H+NH4"	19.041099
"393748"	435.208418	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+Na"	22.989218
"757298"	641.318018	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+Na"	22.989218
"1605029"	229.098818	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Na"	22.989218
"323094"	218.107847	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+H+Na"	23.996494
"714423"	321.162647	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+H+Na"	23.996494
"1469335"	115.053047	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H+Na"	23.996494
"1055652"	77.03779	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2H+Na"	25.00377
"1260977"	239.143086	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+CH3OH+H"	33.033486
"386112"	451.182358	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+K"	38.963158
"746015"	657.291958	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+K"	38.963158
"1552809"	245.072758	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+K"	38.963158
"308526"	226.094817	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+H+K"	39.970434
"697666"	329.149617	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+H+K"	39.970434
"1459140"	123.040017	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H+K"	39.970434
"245556"	454.253026	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+ACN+H"	42.033826
"1219359"	248.143426	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+ACN+H"	42.033826
"1205796"	124.575351	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+ACN+2H"	43.041102
"196115"	457.19036	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+2Na-H"	44.97116
"635675"	663.29996	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+2Na-H"	44.97116
"1140274"	251.08076	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2Na-H"	44.97116
"183563"	229.098818	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+2Na"	45.978436
"628118"	332.153618	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+2Na"	45.978436
"1130417"	126.044018	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2Na"	45.978436
"1412718"	84.365104	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H+2Na"	46.985712
"1444346"	253.122346	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H+HCOOH"	47.012746
"232339"	234.13184	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+3H2O+2H"	56.04448
"1520034"	267.17439	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+IsoProp+H"	61.06479
"420813"	237.085788	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+Na+K"	61.952376
"780714"	340.140588	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+Na+K"	61.952376
"1672670"	134.030988	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Na+K"	61.952376
"254815"	476.234968	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+ACN+Na"	64.015768
"1230803"	270.125368	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+ACN+Na"	64.015768
"1713127"	270.148893	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+NH4+HCOOH"	64.039293
"1180671"	91.692418	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+3Na"	68.967654
"1650396"	275.104288	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Na+HCOOH"	68.994688
"165084"	489.13824	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+2K-H"	76.91904
"600635"	695.24784	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+2K-H"	76.91904
"1094626"	283.02864	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2K-H"	76.91904
"149256"	245.072758	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"2M+2K"	77.926316
"589910"	348.127558	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"3M+2K"	77.926316
"1074422"	142.017958	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2K"	77.926316
"1103259"	285.043192	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2K+H"	78.933592
"1341831"	285.130807	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+DMSO+H"	79.021207
"1014740"	289.169976	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2ACN+H"	83.060376
"1535782"	290.163608	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+IsoProp+Na+H"	84.054008
"1002229"	145.088626	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+2ACN+2H"	84.067652
"1598920"	291.078228	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+K+HCOOH"	84.968628
"1421661"	321.109738	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+H+CF3COOH"	115.000138
"1154135"	165.601901	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+3ACN+2H"	125.094202
"1699317"	338.136285	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+NH4+CF3COOH"	132.026685
"1634360"	343.09168	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+Na+CF3COOH"	136.98208
"1572441"	359.06562	"C19407"	"14-Dimethylphenanthrene"	"C16H14"	"206.1096"	"M+K+CF3COOH"	152.95602
"802084"	292.0484	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M"	0
"977803"	273.03001	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H2O-H"	-19.01839
"70420"	193.691657333333	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-3H"	-3.021828
"509979"	291.041124	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-3H"	-3.021828
"891062"	96.3421906666667	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-3H"	-3.021828
"8542"	291.041124	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H"	-2.014552
"443728"	437.065324	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H"	-2.014552
"826998"	145.016924	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H"	-2.014552
"78966"	583.089524	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-H"	-1.007276
"520355"	875.137924	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-H"	-1.007276
"895840"	291.041124	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H"	-1.007276
"47665"	600.116071	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+NH4"	16.019271
"487834"	892.164471	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+NH4"	16.019271
"864782"	308.067671	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+NH4"	16.019271
"33059"	605.071466	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+Na"	20.974666
"473714"	897.119866	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+Na"	20.974666
"849574"	313.023066	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+Na"	20.974666
"1622144"	313.023066	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na-2H"	20.974666
"99765"	309.029463	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-H+Cl"	33.962126
"549951"	455.053663	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-H+Cl"	33.962126
"942725"	163.005263	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+Cl"	33.962126
"282813"	619.066202	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Cl"	34.969402
"673548"	911.114602	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Cl"	34.969402
"1288458"	327.017802	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl"	34.969402
"25347"	621.045406	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M-2H+K"	36.948606
"460533"	913.093806	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M-2H+K"	36.948606
"843803"	328.997006	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-2H+K"	36.948606
"1565105"	328.997006	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K-2H"	36.948606
"954080"	337.046594	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+HCOOH"	44.998194
"373391"	629.095001	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+HCOOH-H"	44.998201
"356179"	643.110651	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Hac-H"	59.013851
"1504650"	351.062251	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Hac-H"	59.013851
"964900"	359.028551	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+NaCOOH"	66.980151
"114906"	327.017802	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Cl"	69.938804
"553374"	473.042002	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Cl"	69.938804
"1033107"	180.993602	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Cl"	69.938804
"1242477"	370.967285	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Br"	78.918885
"1305412"	373.023272	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+HCOOH"	80.974872
"1322064"	395.005229	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+NaCOOH"	102.956829
"913122"	405.033986	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M-H+CF3COOH"	112.985586
"1290923"	441.010664	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Cl+CF3COOH"	148.962264
"1368722"	257.035724	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H-2H2O"	-35.012676
"1383059"	275.0457	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H-H2O"	-17.0027
"290283"	585.104076	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H"	1.007276
"679424"	877.152476	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H"	1.007276
"1353219"	293.055676	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H"	1.007276
"130848"	293.055676	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2H"	2.014552
"573688"	439.079876	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2H"	2.014552
"1045768"	147.031476	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2H"	2.014552
"209296"	195.706209333333	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+3H"	3.021828
"646304"	293.055676	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+3H"	3.021828
"1168444"	98.3567426666667	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3H"	3.021828
"427342"	602.130623	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+NH4"	18.033823
"786514"	894.179023	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+NH4"	18.033823
"1682842"	310.082223	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4"	18.033823
"332944"	301.5689495	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+NH4"	19.041099
"725366"	447.5931495	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+NH4"	19.041099
"1478096"	155.5447495	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+NH4"	19.041099
"393493"	607.086018	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Na"	22.989218
"758502"	899.134418	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Na"	22.989218
"1604283"	315.037618	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na"	22.989218
"319925"	304.046647	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+Na"	23.996494
"716718"	450.070847	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+Na"	23.996494
"1472725"	158.022447	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+Na"	23.996494
"1055762"	105.684056666667	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2H+Na"	25.00377
"1258533"	325.081886	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+CH3OH+H"	33.033486
"385129"	623.059958	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+K"	38.963158
"747219"	915.108358	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+K"	38.963158
"1552919"	331.011558	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K"	38.963158
"308636"	312.033617	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+H+K"	39.970434
"697776"	458.057817	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+H+K"	39.970434
"1458157"	166.009417	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+K"	39.970434
"245666"	626.130626	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+ACN+H"	42.033826
"1218376"	334.082226	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+H"	42.033826
"1206636"	167.544751	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+2H"	43.041102
"195132"	629.06796	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Na-H"	44.97116
"634692"	921.11636	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Na-H"	44.97116
"1141477"	337.01956	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Na-H"	44.97116
"183673"	315.037618	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2Na"	45.978436
"628188"	461.061818	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2Na"	45.978436
"1130970"	169.013418	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2Na"	45.978436
"1411367"	113.011370666667	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+2Na"	46.985712
"1444091"	339.061146	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+HCOOH"	47.012746
"233177"	320.07064	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+3H2O+2H"	56.04448
"1520144"	353.11319	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+H"	61.06479
"418372"	323.024588	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+Na+K"	61.952376
"780460"	469.048788	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+Na+K"	61.952376
"1670593"	177.000388	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+K"	61.952376
"253101"	648.112568	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+ACN+Na"	64.015768
"1228726"	356.064168	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+ACN+Na"	64.015768
"1713270"	356.087693	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4+HCOOH"	64.039293
"1179808"	120.338684666667	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3Na"	68.967654
"1651763"	361.043088	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+HCOOH"	68.994688
"165194"	661.01584	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2K-H"	76.91904
"600381"	953.06424	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2K-H"	76.91904
"1094736"	368.96744	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K-H"	76.91904
"149366"	331.011558	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"2M+2K"	77.926316
"590020"	477.035758	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"3M+2K"	77.926316
"1071252"	184.987358	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K"	77.926316
"1103369"	370.981992	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2K+H"	78.933592
"1341941"	371.069607	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+DMSO+H"	79.021207
"1011568"	375.108776	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2ACN+H"	83.060376
"1534070"	376.102408	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+IsoProp+Na+H"	84.054008
"1001246"	188.058026	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+2ACN+2H"	84.067652
"1599394"	377.017028	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K+HCOOH"	84.968628
"1422864"	407.048538	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+H+CF3COOH"	115.000138
"1154245"	208.571301	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+3ACN+2H"	125.094202
"1698698"	424.075085	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+NH4+CF3COOH"	132.026685
"1634305"	429.03048	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+Na+CF3COOH"	136.98208
"1572551"	445.00442	"C19408"	"13-Dinitropyrene"	"C16H8N2O4"	"292.0484"	"M+K+CF3COOH"	152.95602
"814224"	186.0865	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M"	0
"986662"	167.06811	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-H2O-H"	-19.01839
"78405"	123.050390666667	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M-3H"	-3.021828
"512277"	185.079224	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M-3H"	-3.021828
"892266"	61.0215573333333	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-3H"	-3.021828
"11570"	185.079224	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M-2H"	-2.014552
"448213"	278.122474	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M-2H"	-2.014552
"827108"	92.035974	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-2H"	-2.014552
"79811"	371.165724	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M-H"	-1.007276
"520829"	557.252224	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M-H"	-1.007276
"896566"	185.079224	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-H"	-1.007276
"49360"	388.192271	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M-2H+NH4"	16.019271
"487827"	574.278771	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M-2H+NH4"	16.019271
"864250"	202.105771	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-2H+NH4"	16.019271
"33168"	393.147666	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M-2H+Na"	20.974666
"474188"	579.234166	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M-2H+Na"	20.974666
"851628"	207.061166	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-2H+Na"	20.974666
"1622254"	207.061166	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Na-2H"	20.974666
"97689"	203.067563	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M-H+Cl"	33.962126
"549457"	296.110813	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M-H+Cl"	33.962126
"942772"	110.024313	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-H+Cl"	33.962126
"282537"	407.142402	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+Cl"	34.969402
"675627"	593.228902	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+Cl"	34.969402
"1288176"	221.055902	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Cl"	34.969402
"25461"	409.121606	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M-2H+K"	36.948606
"467207"	595.208106	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M-2H+K"	36.948606
"843914"	223.035106	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-2H+K"	36.948606
"1565216"	223.035106	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+K-2H"	36.948606
"955283"	231.084694	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-H+HCOOH"	44.998194
"372409"	417.171201	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+HCOOH-H"	44.998201
"358476"	431.186851	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+Hac-H"	59.013851
"1502939"	245.100351	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Hac-H"	59.013851
"969383"	253.066651	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-H+NaCOOH"	66.980151
"118295"	221.055902	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+2Cl"	69.938804
"561139"	314.099152	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+2Cl"	69.938804
"1028844"	128.012652	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2Cl"	69.938804
"1242955"	265.005385	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Br"	78.918885
"1305768"	267.061372	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Cl+HCOOH"	80.974872
"1326186"	289.043329	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Cl+NaCOOH"	102.956829
"918338"	299.072086	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M-H+CF3COOH"	112.985586
"1292130"	335.048764	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Cl+CF3COOH"	148.962264
"1373209"	151.073824	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H-2H2O"	-35.012676
"1385965"	169.0838	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H-H2O"	-17.0027
"293674"	373.180276	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+H"	1.007276
"681722"	559.266776	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+H"	1.007276
"1360257"	187.093776	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H"	1.007276
"133145"	187.093776	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+2H"	2.014552
"573798"	280.137026	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+2H"	2.014552
"1042598"	94.050526	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2H"	2.014552
"210502"	125.064942666667	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+3H"	3.021828
"647507"	187.093776	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+3H"	3.021828
"1169286"	63.0361093333333	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+3H"	3.021828
"428181"	390.206823	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+NH4"	18.033823
"788084"	576.293323	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+NH4"	18.033823
"1682953"	204.120323	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+NH4"	18.033823
"331232"	195.6070495	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+H+NH4"	19.041099
"725475"	288.6502995	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+H+NH4"	19.041099
"1480025"	102.5637995	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H+NH4"	19.041099
"393601"	395.162218	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+Na"	22.989218
"754962"	581.248718	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+Na"	22.989218
"1603180"	209.075718	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Na"	22.989218
"323315"	198.084747	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+H+Na"	23.996494
"717924"	291.127997	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+H+Na"	23.996494
"1472835"	105.041497	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H+Na"	23.996494
"1055508"	70.3634233333333	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2H+Na"	25.00377
"1261197"	219.119986	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+CH3OH+H"	33.033486
"383052"	411.136158	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+K"	38.963158
"747329"	597.222658	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+K"	38.963158
"1551936"	225.049658	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+K"	38.963158
"308746"	206.071717	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+H+K"	39.970434
"697886"	299.114967	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+H+K"	39.970434
"1451706"	113.028467	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H+K"	39.970434
"242495"	414.206826	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+ACN+H"	42.033826
"1218484"	228.120326	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+ACN+H"	42.033826
"1206014"	114.563801	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+ACN+2H"	43.041102
"198521"	417.14416	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+2Na-H"	44.97116
"636987"	603.23066	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+2Na-H"	44.97116
"1138307"	231.05766	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2Na-H"	44.97116
"180503"	209.075718	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+2Na"	45.978436
"628457"	302.118968	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+2Na"	45.978436
"1130876"	116.032468	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2Na"	45.978436
"1413665"	77.6907373333333	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H+2Na"	46.985712
"1445533"	233.099246	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H+HCOOH"	47.012746
"233287"	214.10874	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+3H2O+2H"	56.04448
"1521347"	247.15129	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+IsoProp+H"	61.06479
"420669"	217.062688	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+Na+K"	61.952376
"783485"	310.105938	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+Na+K"	61.952376
"1676170"	124.019438	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Na+K"	61.952376
"260502"	436.188768	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+ACN+Na"	64.015768
"1228836"	250.102268	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+ACN+Na"	64.015768
"1712982"	250.125793	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+NH4+HCOOH"	64.039293
"1181983"	85.0180513333333	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+3Na"	68.967654
"1651022"	255.081188	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Na+HCOOH"	68.994688
"167491"	449.09204	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+2K-H"	76.91904
"601949"	635.17854	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+2K-H"	76.91904
"1096305"	263.00554	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2K-H"	76.91904
"153486"	225.049658	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"2M+2K"	77.926316
"590130"	318.092908	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"3M+2K"	77.926316
"1074642"	132.006408	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2K"	77.926316
"1104572"	265.020092	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2K+H"	78.933592
"1343144"	265.107707	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+DMSO+H"	79.021207
"1011678"	269.146876	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2ACN+H"	83.060376
"1534180"	270.140508	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+IsoProp+Na+H"	84.054008
"1001356"	135.077076	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+2ACN+2H"	84.067652
"1599504"	271.055128	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+K+HCOOH"	84.968628
"1421881"	301.086638	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+H+CF3COOH"	115.000138
"1154355"	155.590351	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+3ACN+2H"	125.094202
"1701724"	318.113185	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+NH4+CF3COOH"	132.026685
"1634459"	323.06858	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+Na+CF3COOH"	136.98208
"1573390"	339.04252	"C19409"	"Dinitrosopentamethylenetetramine"	"C5H10N6O2"	"186.0865"	"M+K+CF3COOH"	152.95602
"807771"	182.0328	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M"	0
"981302"	163.01441	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-H2O-H"	-19.01839
"67360"	120.347924	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M-3H"	-3.021828
"513481"	181.025524	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M-3H"	-3.021828
"889093"	59.670324	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-3H"	-3.021828
"5483"	181.025524	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M-2H"	-2.014552
"443949"	272.041924	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M-2H"	-2.014552
"825030"	90.009124	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-2H"	-2.014552
"78671"	363.058324	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M-H"	-1.007276
"518623"	545.091124	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M-H"	-1.007276
"896109"	181.025524	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-H"	-1.007276
"47161"	380.084871	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M-2H+NH4"	16.019271
"487403"	562.117671	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M-2H+NH4"	16.019271
"864316"	198.052071	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-2H+NH4"	16.019271
"32180"	385.040266	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M-2H+Na"	20.974666
"475027"	567.073066	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M-2H+Na"	20.974666
"848817"	203.007466	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-2H+Na"	20.974666
"1620176"	203.007466	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Na-2H"	20.974666
"99986"	199.013863	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M-H+Cl"	33.962126
"538456"	290.030263	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M-H+Cl"	33.962126
"941820"	107.997463	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-H+Cl"	33.962126
"282647"	399.035002	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+Cl"	34.969402
"671703"	581.067802	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+Cl"	34.969402
"1284106"	217.002202	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Cl"	34.969402
"25571"	401.014206	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M-2H+K"	36.948606
"466953"	583.047006	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M-2H+K"	36.948606
"841839"	218.981406	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-2H+K"	36.948606
"1564232"	218.981406	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+K-2H"	36.948606
"953207"	227.030994	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-H+HCOOH"	44.998194
"372518"	409.063801	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+HCOOH-H"	44.998201
"358587"	423.079451	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+Hac-H"	59.013851
"1503778"	241.046651	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Hac-H"	59.013851
"970952"	249.012951	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-H+NaCOOH"	66.980151
"119498"	217.002202	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+2Cl"	69.938804
"557969"	308.018602	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+2Cl"	69.938804
"1028954"	125.985802	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2Cl"	69.938804
"1251813"	260.951685	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Br"	78.918885
"1305149"	263.007672	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Cl+HCOOH"	80.974872
"1326296"	284.989629	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Cl+NaCOOH"	102.956829
"915168"	295.018386	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M-H+CF3COOH"	112.985586
"1291875"	330.995064	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Cl+CF3COOH"	148.962264
"1370039"	147.020124	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H-2H2O"	-35.012676
"1382777"	165.0301	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H-H2O"	-17.0027
"292691"	365.072876	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+H"	1.007276
"681832"	547.105676	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+H"	1.007276
"1357087"	183.040076	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H"	1.007276
"131068"	183.040076	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+2H"	2.014552
"568805"	274.056476	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+2H"	2.014552
"1042707"	92.023676	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2H"	2.014552
"207331"	122.362476	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+3H"	3.021828
"645795"	183.040076	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+3H"	3.021828
"1173769"	61.684876	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+3H"	3.021828
"428658"	382.099423	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+NH4"	18.033823
"787466"	564.132223	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+NH4"	18.033823
"1682335"	200.066623	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+NH4"	18.033823
"330615"	191.5533495	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+H+NH4"	19.041099
"724126"	282.5697495	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+H+NH4"	19.041099
"1478068"	100.5369495	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H+NH4"	19.041099
"392896"	387.054818	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+Na"	22.989218
"754344"	569.087618	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+Na"	22.989218
"1603044"	205.022018	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Na"	22.989218
"323425"	194.031047	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+H+Na"	23.996494
"718035"	285.047447	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+H+Na"	23.996494
"1472945"	103.014647	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H+Na"	23.996494
"1055254"	69.01219	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2H+Na"	25.00377
"1261307"	215.066286	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+CH3OH+H"	33.033486
"383162"	403.028758	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+K"	38.963158
"748532"	585.061558	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+K"	38.963158
"1552046"	220.995958	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+K"	38.963158
"307763"	202.018017	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+H+K"	39.970434
"699089"	293.034417	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+H+K"	39.970434
"1451816"	111.001617	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H+K"	39.970434
"245885"	406.099426	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+ACN+H"	42.033826
"1219688"	224.066626	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+ACN+H"	42.033826
"1203574"	112.536951	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+ACN+2H"	43.041102
"200090"	409.03676	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+2Na-H"	44.97116
"640378"	591.06956	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+2Na-H"	44.97116
"1138417"	227.00396	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2Na-H"	44.97116
"180613"	205.022018	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+2Na"	45.978436
"628516"	296.038418	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+2Na"	45.978436
"1130985"	114.005618	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2Na"	45.978436
"1413289"	76.339504	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H+2Na"	46.985712
"1444433"	229.045546	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H+HCOOH"	47.012746
"235345"	210.05504	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+3H2O+2H"	56.04448
"1521457"	243.09759	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+IsoProp+H"	61.06479
"422602"	213.008988	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+Na+K"	61.952376
"783595"	304.025388	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+Na+K"	61.952376
"1675187"	121.992588	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Na+K"	61.952376
"259519"	428.081368	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+ACN+Na"	64.015768
"1228581"	246.048568	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+ACN+Na"	64.015768
"1712791"	246.072093	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+NH4+HCOOH"	64.039293
"1180271"	83.666818	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+3Na"	68.967654
"1649926"	251.027488	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Na+HCOOH"	68.994688
"163591"	440.98464	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+2K-H"	76.91904
"603882"	623.01744	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+2K-H"	76.91904
"1094228"	258.95184	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2K-H"	76.91904
"153962"	220.995958	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"2M+2K"	77.926316
"590240"	312.012358	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"3M+2K"	77.926316
"1076939"	129.979558	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2K"	77.926316
"1106869"	260.966392	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2K+H"	78.933592
"1345441"	261.054007	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+DMSO+H"	79.021207
"1011788"	265.093176	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2ACN+H"	83.060376
"1535019"	266.086808	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+IsoProp+Na+H"	84.054008
"997456"	133.050226	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+2ACN+2H"	84.067652
"1599614"	267.001428	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+K+HCOOH"	84.968628
"1423084"	297.032938	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+H+CF3COOH"	115.000138
"1154465"	153.563501	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+3ACN+2H"	125.094202
"1701834"	314.059485	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+NH4+CF3COOH"	132.026685
"1634325"	319.01488	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+Na+CF3COOH"	136.98208
"1573137"	334.98882	"C19410"	"35-Dinitrotoluene"	"C7H6N2O4"	"182.0328"	"M+K+CF3COOH"	152.95602
"808974"	184.1	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M"	0
"979225"	165.08161	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-H2O-H"	-19.01839
"69656"	121.726057333333	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M-3H"	-3.021828
"513590"	183.092724	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M-3H"	-3.021828
"889203"	60.3593906666667	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-3H"	-3.021828
"12154"	183.092724	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M-2H"	-2.014552
"451713"	275.142724	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M-2H"	-2.014552
"826234"	91.042724	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-2H"	-2.014552
"79294"	367.192724	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M-H"	-1.007276
"522506"	551.292724	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M-H"	-1.007276
"896174"	183.092724	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-H"	-1.007276
"47428"	384.219271	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M-2H+NH4"	16.019271
"487308"	568.319271	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M-2H+NH4"	16.019271
"864864"	200.119271	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-2H+NH4"	16.019271
"31926"	389.174666	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M-2H+Na"	20.974666
"476229"	573.274666	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M-2H+Na"	20.974666
"850751"	205.074666	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-2H+Na"	20.974666
"1624658"	205.074666	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Na-2H"	20.974666
"104468"	201.081063	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M-H+Cl"	33.962126
"543665"	293.131063	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M-H+Cl"	33.962126
"941688"	109.031063	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-H+Cl"	33.962126
"282187"	403.169402	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+Cl"	34.969402
"673633"	587.269402	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+Cl"	34.969402
"1286889"	219.069402	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Cl"	34.969402
"22399"	405.148606	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M-2H+K"	36.948606
"468520"	589.248606	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M-2H+K"	36.948606
"844135"	221.048606	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-2H+K"	36.948606
"1564341"	221.048606	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+K-2H"	36.948606
"952223"	229.098194	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-H+HCOOH"	44.998194
"372992"	413.198201	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+HCOOH-H"	44.998201
"360035"	427.213851	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+Hac-H"	59.013851
"1504981"	243.113851	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Hac-H"	59.013851
"967416"	251.080151	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-H+NaCOOH"	66.980151
"121794"	219.069402	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+2Cl"	69.938804
"558079"	311.119402	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+2Cl"	69.938804
"1032343"	127.019402	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2Cl"	69.938804
"1251923"	263.018885	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Br"	78.918885
"1317652"	265.074872	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Cl+HCOOH"	80.974872
"1326406"	287.056829	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Cl+NaCOOH"	102.956829
"916371"	297.085586	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M-H+CF3COOH"	112.985586
"1291985"	333.062264	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Cl+CF3COOH"	148.962264
"1370149"	149.087324	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H-2H2O"	-35.012676
"1384363"	167.0973	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H-H2O"	-17.0027
"289520"	369.207276	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+H"	1.007276
"679754"	553.307276	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+H"	1.007276
"1356468"	185.107276	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H"	1.007276
"126803"	185.107276	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+2H"	2.014552
"567092"	277.157276	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+2H"	2.014552
"1042817"	93.057276	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2H"	2.014552
"206346"	123.740609333333	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+3H"	3.021828
"645177"	185.107276	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+3H"	3.021828
"1167678"	62.3739426666667	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+3H"	3.021828
"428402"	386.233823	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+NH4"	18.033823
"789399"	570.333823	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+NH4"	18.033823
"1684634"	202.133823	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+NH4"	18.033823
"332178"	193.6205495	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+H+NH4"	19.041099
"724598"	285.6705495	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+H+NH4"	19.041099
"1479879"	101.5705495	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H+NH4"	19.041099
"395646"	391.189218	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+Na"	22.989218
"754575"	575.289218	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+Na"	22.989218
"1604129"	207.089218	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Na"	22.989218
"324628"	196.098247	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+H+Na"	23.996494
"717780"	288.148247	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+H+Na"	23.996494
"1467587"	104.048247	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H+Na"	23.996494
"1054271"	69.7012566666667	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2H+Na"	25.00377
"1261417"	217.133486	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+CH3OH+H"	33.033486
"382179"	407.163158	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+K"	38.963158
"747548"	591.263158	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+K"	38.963158
"1551791"	223.063158	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+K"	38.963158
"307873"	204.085217	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+H+K"	39.970434
"699199"	296.135217	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+H+K"	39.970434
"1451926"	112.035217	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H+K"	39.970434
"242715"	410.233826	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+ACN+H"	42.033826
"1217610"	226.133826	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+ACN+H"	42.033826
"1206234"	113.570551	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+ACN+2H"	43.041102
"201293"	413.17116	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+2Na-H"	44.97116
"640487"	597.27116	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+2Na-H"	44.97116
"1136340"	229.07116	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2Na-H"	44.97116
"182910"	207.089218	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+2Na"	45.978436
"627462"	299.139218	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+2Na"	45.978436
"1130610"	115.039218	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2Na"	45.978436
"1411335"	77.0285706666667	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H+2Na"	46.985712
"1441264"	231.112746	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H+HCOOH"	47.012746
"230226"	212.12224	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+3H2O+2H"	56.04448
"1519381"	245.16479	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+IsoProp+H"	61.06479
"417975"	215.076188	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+Na+K"	61.952376
"782612"	307.126188	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+Na+K"	61.952376
"1674203"	123.026188	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Na+K"	61.952376
"263640"	432.215768	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+ACN+Na"	64.015768
"1231244"	248.115768	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+ACN+Na"	64.015768
"1715756"	248.139293	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+NH4+HCOOH"	64.039293
"1182205"	84.3558846666667	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+3Na"	68.967654
"1651731"	253.094688	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Na+HCOOH"	68.994688
"164428"	445.11904	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+2K-H"	76.91904
"604721"	629.21904	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+2K-H"	76.91904
"1091422"	261.01904	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2K-H"	76.91904
"151157"	223.063158	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"2M+2K"	77.926316
"587069"	315.113158	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"3M+2K"	77.926316
"1076321"	131.013158	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2K"	77.926316
"1103698"	263.033592	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2K+H"	78.933592
"1342271"	263.121207	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+DMSO+H"	79.021207
"1012991"	267.160376	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2ACN+H"	83.060376
"1532213"	268.154008	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+IsoProp+Na+H"	84.054008
"998658"	134.083826	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+2ACN+2H"	84.067652
"1599724"	269.068628	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+K+HCOOH"	84.968628
"1424287"	299.100138	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+H+CF3COOH"	115.000138
"1154575"	154.597101	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+3ACN+2H"	125.094202
"1701944"	316.126685	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+NH4+CF3COOH"	132.026685
"1634436"	321.08208	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+Na+CF3COOH"	136.98208
"1573610"	337.05602	"C19411"	"24-Diphenyldiamine;24-Diaminobiphenyl"	"C12H12N2"	"184.1"	"M+K+CF3COOH"	152.95602
"807991"	269.1164	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M"	0
"978242"	250.09801	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-H2O-H"	-19.01839
"70860"	178.403657333333	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M-3H"	-3.021828
"512607"	268.109124	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M-3H"	-3.021828
"889314"	88.6981906666667	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-3H"	-3.021828
"12265"	268.109124	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M-2H"	-2.014552
"451824"	402.667324	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M-2H"	-2.014552
"825251"	133.550924	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-2H"	-2.014552
"79530"	537.225524	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M-H"	-1.007276
"525896"	806.341924	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M-H"	-1.007276
"896526"	268.109124	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-H"	-1.007276
"47619"	554.252071	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M-2H+NH4"	16.019271
"487295"	823.368471	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M-2H+NH4"	16.019271
"864261"	285.135671	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-2H+NH4"	16.019271
"32033"	559.207466	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M-2H+Na"	20.974666
"474152"	828.323866	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M-2H+Na"	20.974666
"850861"	290.091066	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-2H+Na"	20.974666
"1623675"	290.091066	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Na-2H"	20.974666
"99109"	286.097463	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M-H+Cl"	33.962126
"540856"	420.655663	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M-H+Cl"	33.962126
"938755"	151.539263	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-H+Cl"	33.962126
"276216"	573.202202	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+Cl"	34.969402
"666451"	842.318602	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+Cl"	34.969402
"1282135"	304.085802	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Cl"	34.969402
"19228"	575.181406	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M-2H+K"	36.948606
"459881"	844.297806	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M-2H+K"	36.948606
"840964"	306.065006	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-2H+K"	36.948606
"1564451"	306.065006	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+K-2H"	36.948606
"949053"	314.114594	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-H+HCOOH"	44.998194
"372737"	583.231001	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+HCOOH-H"	44.998201
"360024"	597.246651	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+Hac-H"	59.013851
"1505092"	328.130251	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Hac-H"	59.013851
"967526"	336.096551	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-H+NaCOOH"	66.980151
"119717"	304.085802	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+2Cl"	69.938804
"553809"	438.644002	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+2Cl"	69.938804
"1025893"	169.527602	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2Cl"	69.938804
"1253126"	348.035285	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Br"	78.918885
"1317034"	350.091272	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Cl+HCOOH"	80.974872
"1325422"	372.073229	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Cl+NaCOOH"	102.956829
"917574"	382.101986	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M-H+CF3COOH"	112.985586
"1292095"	418.078664	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Cl+CF3COOH"	148.962264
"1372445"	234.103724	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H-2H2O"	-35.012676
"1383622"	252.1137	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H-H2O"	-17.0027
"286350"	539.240076	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+H"	1.007276
"676290"	808.356476	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+H"	1.007276
"1351714"	270.123676	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H"	1.007276
"126427"	270.123676	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+2H"	2.014552
"571941"	404.681876	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+2H"	2.014552
"1047301"	135.565476	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2H"	2.014552
"206820"	180.418209333333	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+3H"	3.021828
"644717"	270.123676	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+3H"	3.021828
"1164872"	90.7127426666667	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+3H"	3.021828
"427419"	556.266623	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+NH4"	18.033823
"788779"	825.383023	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+NH4"	18.033823
"1683649"	287.150223	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+NH4"	18.033823
"331193"	278.6369495	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+H+NH4"	19.041099
"724341"	413.1951495	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+H+NH4"	19.041099
"1478530"	144.0787495	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H+NH4"	19.041099
"393934"	561.222018	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+Na"	22.989218
"755779"	830.338418	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+Na"	22.989218
"1603392"	292.105618	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Na"	22.989218
"324738"	281.114647	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+H+Na"	23.996494
"719713"	415.672847	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+H+Na"	23.996494
"1467697"	146.556447	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H+Na"	23.996494
"1054381"	98.0400566666667	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2H+Na"	25.00377
"1268819"	302.149886	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+CH3OH+H"	33.033486
"389581"	577.195958	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+K"	38.963158
"747659"	846.312358	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+K"	38.963158
"1551537"	308.079558	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+K"	38.963158
"307983"	289.101617	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+H+K"	39.970434
"702591"	423.659817	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+H+K"	39.970434
"1453130"	154.543417	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H+K"	39.970434
"245012"	580.266626	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+ACN+H"	42.033826
"1222095"	311.150226	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+ACN+H"	42.033826
"1206344"	156.078751	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+ACN+2H"	43.041102
"202132"	583.20396	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+2Na-H"	44.97116
"640598"	852.32036	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+2Na-H"	44.97116
"1138637"	314.08756	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2Na-H"	44.97116
"186909"	292.105618	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+2Na"	45.978436
"626601"	426.663818	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+2Na"	45.978436
"1130113"	157.547418	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2Na"	45.978436
"1410352"	105.367370666667	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H+2Na"	46.985712
"1442102"	316.129146	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H+HCOOH"	47.012746
"231796"	297.13864	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+3H2O+2H"	56.04448
"1518398"	330.18119	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+IsoProp+H"	61.06479
"416991"	300.092588	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+Na+K"	61.952376
"781630"	434.650788	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+Na+K"	61.952376
"1674313"	165.534388	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Na+K"	61.952376
"262657"	602.248568	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+ACN+Na"	64.015768
"1231354"	333.132168	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+ACN+Na"	64.015768
"1716594"	333.155693	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+NH4+HCOOH"	64.039293
"1182315"	112.694684666667	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+3Na"	68.967654
"1651841"	338.111088	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Na+HCOOH"	68.994688
"165631"	615.15184	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+2K-H"	76.91904
"605195"	884.26824	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+2K-H"	76.91904
"1092989"	346.03544	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2K-H"	76.91904
"151632"	308.079558	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"2M+2K"	77.926316
"583899"	442.637758	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"3M+2K"	77.926316
"1077159"	173.521358	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2K"	77.926316
"1107089"	348.049992	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2K+H"	78.933592
"1347850"	348.137607	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+DMSO+H"	79.021207
"1017841"	352.176776	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2ACN+H"	83.060376
"1534510"	353.170408	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+IsoProp+Na+H"	84.054008
"998768"	176.592026	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+2ACN+2H"	84.067652
"1601172"	354.085028	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+K+HCOOH"	84.968628
"1427315"	384.116538	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+H+CF3COOH"	115.000138
"1157966"	197.105301	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+3ACN+2H"	125.094202
"1708611"	401.143085	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+NH4+CF3COOH"	132.026685
"1634828"	406.09848	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+Na+CF3COOH"	136.98208
"1571655"	422.07242	"C19412"	"Disperse Yellow 3;N-4-2-(2-hydroxy-5-methylphenyl)diazenylphenyl-acetamide"	"C15H15N3O2"	"269.1164"	"M+K+CF3COOH"	152.95602
"814662"	348.0677	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M"	0
"981633"	329.04931	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-H2O-H"	-19.01839
"74250"	231.037857333333	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M-3H"	-3.021828
"515633"	347.060424	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M-3H"	-3.021828
"889424"	115.015290666667	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-3H"	-3.021828
"10186"	347.060424	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M-2H"	-2.014552
"450841"	521.094274	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M-2H"	-2.014552
"828642"	173.026574	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-2H"	-2.014552
"80977"	695.128124	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M-H"	-1.007276
"524913"	1043.195824	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M-H"	-1.007276
"896394"	347.060424	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-H"	-1.007276
"48706"	712.154671	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M-2H+NH4"	16.019271
"487410"	1060.222371	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M-2H+NH4"	16.019271
"865215"	364.086971	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-2H+NH4"	16.019271
"32509"	717.110066	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M-2H+Na"	20.974666
"479730"	1065.177766	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M-2H+Na"	20.974666
"854251"	369.042366	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-2H+Na"	20.974666
"1625972"	369.042366	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Na-2H"	20.974666
"101407"	365.048763	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M-H+Cl"	33.962126
"537685"	539.082613	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M-H+Cl"	33.962126
"940687"	191.014913	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-H+Cl"	33.962126
"274139"	731.104802	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+Cl"	34.969402
"666561"	1079.172502	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+Cl"	34.969402
"1280058"	383.037102	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Cl"	34.969402
"19338"	733.084006	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M-2H+K"	36.948606
"459990"	1081.151706	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M-2H+K"	36.948606
"842167"	385.016306	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-2H+K"	36.948606
"1562374"	385.016306	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+K-2H"	36.948606
"952443"	393.065894	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-H+HCOOH"	44.998194
"371753"	741.133601	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+HCOOH-H"	44.998201
"360011"	755.149251	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+Hac-H"	59.013851
"1504471"	407.081551	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Hac-H"	59.013851
"961076"	415.047851	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-H+NaCOOH"	66.980151
"119827"	383.037102	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+2Cl"	69.938804
"555012"	557.070952	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+2Cl"	69.938804
"1029281"	209.003252	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2Cl"	69.938804
"1252143"	426.986585	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Br"	78.918885
"1315684"	429.042572	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Cl+HCOOH"	80.974872
"1322251"	451.024529	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Cl+NaCOOH"	102.956829
"915496"	461.053286	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M-H+CF3COOH"	112.985586
"1292205"	497.029964	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Cl+CF3COOH"	148.962264
"1370368"	313.055024	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H-2H2O"	-35.012676
"1382922"	331.065	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H-H2O"	-17.0027
"288646"	697.142676	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+H"	1.007276
"676201"	1045.210376	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+H"	1.007276
"1351947"	349.074976	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H"	1.007276
"127387"	349.074976	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+2H"	2.014552
"568406"	523.108826	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+2H"	2.014552
"1044130"	175.041126	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2H"	2.014552
"205832"	233.052409333333	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+3H"	3.021828
"645392"	349.074976	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+3H"	3.021828
"1166805"	117.029842666667	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+3H"	3.021828
"429714"	714.169223	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+NH4"	18.033823
"789616"	1062.236923	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+NH4"	18.033823
"1687040"	366.101523	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+NH4"	18.033823
"330937"	357.5882495	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+H+NH4"	19.041099
"723477"	531.6220995	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+H+NH4"	19.041099
"1478760"	183.5543995	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H+NH4"	19.041099
"395137"	719.124618	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+Na"	22.989218
"755769"	1067.192318	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+Na"	22.989218
"1604961"	371.056918	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Na"	22.989218
"327034"	360.065947	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+H+Na"	23.996494
"720552"	534.099797	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+H+Na"	23.996494
"1465620"	186.032097	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H+Na"	23.996494
"1057771"	124.357156666667	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2H+Na"	25.00377
"1269293"	381.101186	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+CH3OH+H"	33.033486
"390419"	735.098558	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+K"	38.963158
"746676"	1083.166258	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+K"	38.963158
"1552011"	387.030858	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+K"	38.963158
"305906"	368.052917	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+H+K"	39.970434
"701608"	542.086767	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+H+K"	39.970434
"1454333"	194.019067	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H+K"	39.970434
"242936"	738.169226	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+ACN+H"	42.033826
"1220019"	390.101526	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+ACN+H"	42.033826
"1204996"	195.554401	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+ACN+2H"	43.041102
"202242"	741.10656	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+2Na-H"	44.97116
"641802"	1089.17426	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+2Na-H"	44.97116
"1142027"	393.03886	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2Na-H"	44.97116
"187383"	371.056918	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+2Na"	45.978436
"627804"	545.090768	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+2Na"	45.978436
"1130100"	197.023068	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2Na"	45.978436
"1410097"	131.684470666667	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H+2Na"	46.985712
"1443669"	395.080446	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H+HCOOH"	47.012746
"231539"	376.08994	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+3H2O+2H"	56.04448
"1518509"	409.13249	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+IsoProp+H"	61.06479
"417100"	379.043888	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+Na+K"	61.952376
"778094"	553.077738	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+Na+K"	61.952376
"1670048"	205.010038	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Na+K"	61.952376
"258757"	760.151168	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+ACN+Na"	64.015768
"1232192"	412.083468	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+ACN+Na"	64.015768
"1716704"	412.106993	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+NH4+HCOOH"	64.039293
"1181330"	139.011784666667	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+3Na"	68.967654
"1650489"	417.062388	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Na+HCOOH"	68.994688
"165741"	773.05444	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+2K-H"	76.91904
"603118"	1121.12214	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+2K-H"	76.91904
"1090912"	424.98674	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2K-H"	76.91904
"153562"	387.030858	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"2M+2K"	77.926316
"584009"	561.064708	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"3M+2K"	77.926316
"1073989"	212.997008	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2K"	77.926316
"1107199"	427.001292	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2K+H"	78.933592
"1343585"	427.088907	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+DMSO+H"	79.021207
"1017587"	431.128076	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2ACN+H"	83.060376
"1535714"	432.121708	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+IsoProp+Na+H"	84.054008
"996691"	216.067676	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+2ACN+2H"	84.067652
"1602012"	433.036328	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+K+HCOOH"	84.968628
"1426331"	463.067838	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+H+CF3COOH"	115.000138
"1159169"	236.580951	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+3ACN+2H"	125.094202
"1709814"	480.094385	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+NH4+CF3COOH"	132.026685
"1635991"	485.04978	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+Na+CF3COOH"	136.98208
"1572008"	501.02372	"C19413"	"Doxefazepam"	"C17H14ClFN2O3"	"348.0677"	"M+K+CF3COOH"	152.95602
"813679"	388.1998	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M"	0
"983930"	369.18141	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-H2O-H"	-19.01839
"74360"	257.792590666667	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M-3H"	-3.021828
"516107"	387.192524	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M-3H"	-3.021828
"889534"	128.392657333333	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-3H"	-3.021828
"10296"	387.192524	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M-2H"	-2.014552
"452045"	581.292424	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M-2H"	-2.014552
"831428"	193.092624	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-2H"	-2.014552
"84369"	775.392324	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M-H"	-1.007276
"525023"	1163.592124	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M-H"	-1.007276
"901731"	387.192524	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-H"	-1.007276
"48816"	792.418871	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M-2H+NH4"	16.019271
"487644"	1180.618671	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M-2H+NH4"	16.019271
"864841"	404.219071	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-2H+NH4"	16.019271
"31685"	797.374266	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M-2H+Na"	20.974666
"477654"	1185.574066	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M-2H+Na"	20.974666
"849296"	409.174466	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-2H+Na"	20.974666
"1618748"	409.174466	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Na-2H"	20.974666
"102611"	405.180863	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M-H+Cl"	33.962126
"538159"	599.280763	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M-H+Cl"	33.962126
"934595"	211.080963	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-H+Cl"	33.962126
"275343"	811.369002	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+Cl"	34.969402
"669951"	1199.568802	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+Cl"	34.969402
"1279075"	423.169202	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Cl"	34.969402
"19448"	813.348206	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M-2H+K"	36.948606
"460100"	1201.548006	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M-2H+K"	36.948606
"841184"	425.148406	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-2H+K"	36.948606
"1562484"	425.148406	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+K-2H"	36.948606
"952554"	433.197994	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-H+HCOOH"	44.998194
"370770"	821.397801	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+HCOOH-H"	44.998201
"355748"	835.413451	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+Hac-H"	59.013851
"1504581"	447.213651	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Hac-H"	59.013851
"962280"	455.179951	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-H+NaCOOH"	66.980151
"123218"	423.169202	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+2Cl"	69.938804
"558402"	617.269102	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+2Cl"	69.938804
"1029391"	229.069302	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2Cl"	69.938804
"1253346"	467.118685	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Br"	78.918885
"1314702"	469.174672	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Cl+HCOOH"	80.974872
"1326735"	491.156629	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Cl+NaCOOH"	102.956829
"916700"	501.185386	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M-H+CF3COOH"	112.985586
"1293408"	537.162064	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Cl+CF3COOH"	148.962264
"1368412"	353.187124	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H-2H2O"	-35.012676
"1382825"	371.1971	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H-H2O"	-17.0027
"285840"	777.406876	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+H"	1.007276
"675789"	1165.606676	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+H"	1.007276
"1352055"	389.207076	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H"	1.007276
"127857"	389.207076	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+2H"	2.014552
"568880"	583.306976	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+2H"	2.014552
"1044241"	195.107176	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2H"	2.014552
"205455"	259.807142666667	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+3H"	3.021828
"645502"	389.207076	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+3H"	3.021828
"1165816"	130.407209333333	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+3H"	3.021828
"428731"	794.433423	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+NH4"	18.033823
"788633"	1182.633223	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+NH4"	18.033823
"1686057"	406.233623	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+NH4"	18.033823
"330804"	397.7203495	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+H+NH4"	19.041099
"724198"	591.8202495	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+H+NH4"	19.041099
"1479844"	203.6204495	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H+NH4"	19.041099
"393786"	799.388818	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+Na"	22.989218
"754282"	1187.588618	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+Na"	22.989218
"1603978"	411.189018	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Na"	22.989218
"327144"	400.198047	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+H+Na"	23.996494
"721755"	594.297947	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+H+Na"	23.996494
"1465730"	206.098147	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H+Na"	23.996494
"1060069"	137.734523333333	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2H+Na"	25.00377
"1267944"	421.233286	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+CH3OH+H"	33.033486
"390529"	815.362758	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+K"	38.963158
"746786"	1203.562558	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+K"	38.963158
"1552121"	427.162958	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+K"	38.963158
"306016"	408.185017	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+H+K"	39.970434
"702811"	602.284917	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+H+K"	39.970434
"1454443"	214.085117	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H+K"	39.970434
"248513"	818.433426	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+ACN+H"	42.033826
"1223410"	430.233626	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+ACN+H"	42.033826
"1208754"	215.620451	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+ACN+2H"	43.041102
"203774"	821.37076	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+2Na-H"	44.97116
"641550"	1209.57056	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+2Na-H"	44.97116
"1144327"	433.17096	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2Na-H"	44.97116
"187619"	411.189018	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+2Na"	45.978436
"627054"	605.288918	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+2Na"	45.978436
"1129967"	217.089118	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2Na"	45.978436
"1411299"	145.061837333333	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H+2Na"	46.985712
"1443414"	435.212546	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H+HCOOH"	47.012746
"232743"	416.22204	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+3H2O+2H"	56.04448
"1522871"	449.26459	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+IsoProp+H"	61.06479
"422556"	419.175988	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+Na+K"	61.952376
"780392"	613.275888	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+Na+K"	61.952376
"1672346"	225.076088	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Na+K"	61.952376
"256313"	840.415368	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+ACN+Na"	64.015768
"1229022"	452.215568	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+ACN+Na"	64.015768
"1714627"	452.239093	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+NH4+HCOOH"	64.039293
"1181440"	152.389151333333	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+3Na"	68.967654
"1650153"	457.194488	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Na+HCOOH"	68.994688
"164758"	853.31864	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+2K-H"	76.91904
"600312"	1241.51844	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+2K-H"	76.91904
"1087012"	465.11884	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2K-H"	76.91904
"151484"	427.162958	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"2M+2K"	77.926316
"585212"	621.262858	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"3M+2K"	77.926316
"1071912"	233.063058	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2K"	77.926316
"1106218"	467.133392	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2K+H"	78.933592
"1345883"	467.221007	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+DMSO+H"	79.021207
"1015509"	471.260176	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2ACN+H"	83.060376
"1536916"	472.253808	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+IsoProp+Na+H"	84.054008
"993521"	236.133726	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+2ACN+2H"	84.067652
"1598960"	473.168428	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+K+HCOOH"	84.968628
"1423525"	503.199938	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+H+CF3COOH"	115.000138
"1158186"	256.647001	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+3ACN+2H"	125.094202
"1708831"	520.226485	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+NH4+CF3COOH"	132.026685
"1634521"	525.18188	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+Na+CF3COOH"	136.98208
"1571754"	541.15582	"C19414"	"Doxylamine succinate"	"C17H22N2OC4H6O4"	"388.1998"	"M+K+CF3COOH"	152.95602
"814882"	180.0899	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M"	0
"981853"	161.07151	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-H2O-H"	-19.01839
"71190"	119.052657333333	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M-3H"	-3.021828
"515123"	179.082624	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M-3H"	-3.021828
"889644"	59.0226906666667	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-3H"	-3.021828
"10406"	179.082624	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M-2H"	-2.014552
"451060"	269.127574	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M-2H"	-2.014552
"829835"	89.037674	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-2H"	-2.014552
"81927"	359.172524	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M-H"	-1.007276
"525133"	539.262424	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M-H"	-1.007276
"901112"	179.082624	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-H"	-1.007276
"48318"	376.199071	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M-2H+NH4"	16.019271
"487754"	556.288971	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M-2H+NH4"	16.019271
"864421"	196.109171	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-2H+NH4"	16.019271
"31449"	381.154466	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M-2H+Na"	20.974666
"478857"	561.244366	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M-2H+Na"	20.974666
"849730"	201.064566	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-2H+Na"	20.974666
"1618941"	201.064566	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Na-2H"	20.974666
"99439"	197.070963	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M-H+Cl"	33.962126
"534623"	287.115913	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M-H+Cl"	33.962126
"930326"	107.026013	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-H+Cl"	33.962126
"271071"	395.149202	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+Cl"	34.969402
"665681"	575.239102	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+Cl"	34.969402
"1276263"	215.059302	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Cl"	34.969402
"17364"	397.128406	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M-2H+K"	36.948606
"458384"	577.218306	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M-2H+K"	36.948606
"836914"	217.038506	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-2H+K"	36.948606
"1557126"	217.038506	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+K-2H"	36.948606
"946103"	225.088094	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-H+HCOOH"	44.998194
"365411"	405.178001	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+HCOOH-H"	44.998201
"355857"	419.193651	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+Hac-H"	59.013851
"1504325"	239.103751	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Hac-H"	59.013851
"958511"	247.070051	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-H+NaCOOH"	66.980151
"123328"	215.059302	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+2Cl"	69.938804
"555232"	305.104252	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+2Cl"	69.938804
"1029501"	125.014352	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2Cl"	69.938804
"1253456"	259.008785	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Br"	78.918885
"1315905"	261.064772	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Cl+HCOOH"	80.974872
"1326845"	283.046729	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Cl+NaCOOH"	102.956829
"915715"	293.075486	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M-H+CF3COOH"	112.985586
"1293517"	329.052164	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Cl+CF3COOH"	148.962264
"1377146"	145.077224	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H-2H2O"	-35.012676
"1384803"	163.0872	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H-H2O"	-17.0027
"287043"	361.187076	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+H"	1.007276
"678006"	541.276976	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+H"	1.007276
"1352897"	181.097176	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H"	1.007276
"127242"	181.097176	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+2H"	2.014552
"569355"	271.142126	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+2H"	2.014552
"1048724"	91.052226	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2H"	2.014552
"206052"	121.067209333333	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+3H"	3.021828
"645976"	181.097176	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+3H"	3.021828
"1165197"	61.0372426666667	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+3H"	3.021828
"428841"	378.213623	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+NH4"	18.033823
"788743"	558.303523	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+NH4"	18.033823
"1687260"	198.123723	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+NH4"	18.033823
"331156"	189.6104495	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+H+NH4"	19.041099
"723335"	279.6553995	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+H+NH4"	19.041099
"1478862"	99.5654995	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H+NH4"	19.041099
"393653"	383.169018	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+Na"	22.989218
"754419"	563.258918	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+Na"	22.989218
"1603156"	203.079118	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Na"	22.989218
"325068"	192.088147	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+H+Na"	23.996494
"721499"	282.133097	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+H+Na"	23.996494
"1466933"	102.043197	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H+Na"	23.996494
"1060179"	68.3645566666667	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2H+Na"	25.00377
"1266961"	213.123386	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+CH3OH+H"	33.033486
"390639"	399.142958	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+K"	38.963158
"745803"	579.232858	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+K"	38.963158
"1552231"	219.053058	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+K"	38.963158
"306126"	200.075117	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+H+K"	39.970434
"699641"	290.120067	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+H+K"	39.970434
"1454554"	110.030167	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H+K"	39.970434
"248623"	402.213626	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+ACN+H"	42.033826
"1223764"	222.123726	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+ACN+H"	42.033826
"1208013"	111.565501	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+ACN+2H"	43.041102
"202951"	405.15096	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+2Na-H"	44.97116
"641905"	585.24086	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+2Na-H"	44.97116
"1145407"	225.06106	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2Na-H"	44.97116
"187607"	203.079118	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+2Na"	45.978436
"625098"	293.124068	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+2Na"	45.978436
"1128980"	113.034168	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2Na"	45.978436
"1410681"	75.6918706666667	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H+2Na"	46.985712
"1440971"	227.102646	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H+HCOOH"	47.012746
"231395"	208.11214	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+3H2O+2H"	56.04448
"1519822"	241.15469	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+IsoProp+H"	61.06479
"421328"	211.066088	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+Na+K"	61.952376
"778312"	301.111038	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+Na+K"	61.952376
"1673549"	121.021138	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Na+K"	61.952376
"262255"	424.195568	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+ACN+Na"	64.015768
"1225883"	244.105668	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+ACN+Na"	64.015768
"1713763"	244.129193	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+NH4+HCOOH"	64.039293
"1179721"	83.0191846666667	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+3Na"	68.967654
"1650057"	249.084588	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Na+HCOOH"	68.994688
"159763"	437.09884	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+2K-H"	76.91904
"599327"	617.18874	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+2K-H"	76.91904
"1091129"	257.00894	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2K-H"	76.91904
"149039"	219.053058	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"2M+2K"	77.926316
"589694"	309.098008	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"3M+2K"	77.926316
"1069102"	129.008108	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2K"	77.926316
"1105234"	259.023492	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2K+H"	78.933592
"1340525"	259.111107	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+DMSO+H"	79.021207
"1015619"	263.150276	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2ACN+H"	83.060376
"1537026"	264.143908	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+IsoProp+Na+H"	84.054008
"995817"	132.078776	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+2ACN+2H"	84.067652
"1600893"	265.058528	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+K+HCOOH"	84.968628
"1426915"	295.090038	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+H+CF3COOH"	115.000138
"1159389"	152.592051	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+3ACN+2H"	125.094202
"1708941"	312.116585	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+NH4+CF3COOH"	132.026685
"1635846"	317.07198	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+Na+CF3COOH"	136.98208
"1572594"	333.04592	"C19415"	"Dulcin;p-Ethoxyphenylurea"	"C9H12N2O2"	"180.0899"	"M+K+CF3COOH"	152.95602
"814992"	643.7105	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M"	0
"986338"	624.69211	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-H2O-H"	-19.01839
"76767"	428.133057333333	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M-3H"	-3.021828
"517909"	642.703224	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M-3H"	-3.021828
"895101"	213.562890666667	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-3H"	-3.021828
"14891"	642.703224	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M-2H"	-2.014552
"454088"	964.558474	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M-2H"	-2.014552
"831038"	320.847974	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-2H"	-2.014552
"87870"	1286.413724	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M-H"	-1.007276
"531439"	1930.124224	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M-H"	-1.007276
"904138"	642.703224	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-H"	-1.007276
"50861"	1303.440271	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M-2H+NH4"	16.019271
"491514"	1947.150771	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M-2H+NH4"	16.019271
"869316"	659.729771	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-2H+NH4"	16.019271
"32235"	1308.395666	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M-2H+Na"	20.974666
"475687"	1952.106166	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M-2H+Na"	20.974666
"850206"	664.685166	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-2H+Na"	20.974666
"1624115"	664.685166	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Na-2H"	20.974666
"97727"	660.691563	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M-H+Cl"	33.962126
"536558"	982.546813	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M-H+Cl"	33.962126
"928007"	338.836313	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-H+Cl"	33.962126
"269359"	1322.390402	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+Cl"	34.969402
"663605"	1966.100902	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+Cl"	34.969402
"1276007"	678.679902	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Cl"	34.969402
"21848"	1324.369606	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M-2H+K"	36.948606
"460315"	1968.080106	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M-2H+K"	36.948606
"840305"	680.659106	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-2H+K"	36.948606
"1557962"	680.659106	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+K-2H"	36.948606
"947301"	688.708694	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-H+HCOOH"	44.998194
"362605"	1332.419201	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+HCOOH-H"	44.998201
"350498"	1346.434851	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+Hac-H"	59.013851
"1498238"	702.724351	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Hac-H"	59.013851
"959584"	710.690651	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-H+NaCOOH"	66.980151
"124531"	678.679902	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+2Cl"	69.938804
"557530"	1000.535152	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+2Cl"	69.938804
"1028518"	356.824652	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2Cl"	69.938804
"1247004"	722.629385	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Br"	78.918885
"1317107"	724.685372	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Cl+HCOOH"	80.974872
"1326955"	746.667329	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Cl+NaCOOH"	102.956829
"915825"	756.696086	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M-H+CF3COOH"	112.985586
"1292534"	792.672764	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Cl+CF3COOH"	148.962264
"1372882"	608.697824	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H-2H2O"	-35.012676
"1384913"	626.7078	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H-H2O"	-17.0027
"287153"	1288.428276	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+H"	1.007276
"678116"	1932.138776	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+H"	1.007276
"1356653"	644.717776	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H"	1.007276
"128813"	644.717776	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+2H"	2.014552
"569466"	966.573026	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+2H"	2.014552
"1043368"	322.862526	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2H"	2.014552
"208716"	430.147609333333	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+3H"	3.021828
"648643"	644.717776	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+3H"	3.021828
"1166402"	215.577442666667	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+3H"	3.021828
"430045"	1305.454823	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+NH4"	18.033823
"789217"	1949.165323	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+NH4"	18.033823
"1686278"	661.744323	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+NH4"	18.033823
"331635"	653.2310495	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+H+NH4"	19.041099
"725151"	975.0862995	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+H+NH4"	19.041099
"1482983"	331.3757995	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H+NH4"	19.041099
"394130"	1310.410218	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+Na"	22.989218
"757192"	1954.120718	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+Na"	22.989218
"1604322"	666.699718	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Na"	22.989218
"325179"	655.708747	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+H+Na"	23.996494
"719423"	977.563997	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+H+Na"	23.996494
"1472148"	333.853497	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H+Na"	23.996494
"1064667"	222.904756666667	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2H+Na"	25.00377
"1268166"	676.743986	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+CH3OH+H"	33.033486
"388928"	1326.384158	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+K"	38.963158
"749193"	1970.094658	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+K"	38.963158
"1552341"	682.673658	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+K"	38.963158
"306236"	663.695717	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+H+K"	39.970434
"704854"	985.550967	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+H+K"	39.970434
"1459042"	341.840467	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H+K"	39.970434
"248738"	1329.454826	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+ACN+H"	42.033826
"1224606"	685.744326	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+ACN+H"	42.033826
"1205689"	343.375801	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+ACN+2H"	43.041102
"202819"	1332.39216	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+2Na-H"	44.97116
"642867"	1976.10266	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+2Na-H"	44.97116
"1145638"	688.68166	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2Na-H"	44.97116
"186375"	666.699718	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+2Na"	45.978436
"627036"	988.554968	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+2Na"	45.978436
"1129456"	344.844468	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2Na"	45.978436
"1408967"	230.232070666667	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H+2Na"	46.985712
"1442421"	690.723246	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H+HCOOH"	47.012746
"233571"	671.73274	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+3H2O+2H"	56.04448
"1521758"	704.77529	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+IsoProp+H"	61.06479
"420709"	674.686688	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+Na+K"	61.952376
"782798"	996.541938	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+Na+K"	61.952376
"1678764"	352.831438	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Na+K"	61.952376
"262367"	1351.436768	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+ACN+Na"	64.015768
"1230334"	707.726268	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+ACN+Na"	64.015768
"1713753"	707.749793	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+NH4+HCOOH"	64.039293
"1180200"	237.559384666667	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+3Na"	68.967654
"1652281"	712.705188	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Na+HCOOH"	68.994688
"160602"	1364.34004	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+2K-H"	76.91904
"603448"	2008.05054	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+2K-H"	76.91904
"1091239"	720.62954	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2K-H"	76.91904
"149149"	682.673658	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"2M+2K"	77.926316
"589804"	1004.528908	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"3M+2K"	77.926316
"1071038"	360.818408	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2K"	77.926316
"1107531"	722.644092	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2K+H"	78.933592
"1346102"	722.731707	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+DMSO+H"	79.021207
"1013542"	726.770876	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2ACN+H"	83.060376
"1528385"	727.764508	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+IsoProp+Na+H"	84.054008
"998112"	363.889076	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+2ACN+2H"	84.067652
"1596992"	728.679128	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+K+HCOOH"	84.968628
"1423743"	758.710638	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+H+CF3COOH"	115.000138
"1159499"	384.402351	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+3ACN+2H"	125.094202
"1706864"	775.737185	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+NH4+CF3COOH"	132.026685
"1634866"	780.69258	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+Na+CF3COOH"	136.98208
"1572704"	796.66652	"C19416"	"Eosin;D  C Red no 21"	"C20H8Br4O5"	"643.7105"	"M+K+CF3COOH"	152.95602
"815102"	280.1675	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M"	0
"986448"	261.14911	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-H2O-H"	-19.01839
"71412"	185.771057333333	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M-3H"	-3.021828
"510971"	279.160224	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M-3H"	-3.021828
"894808"	92.3818906666667	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-3H"	-3.021828
"10626"	279.160224	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M-2H"	-2.014552
"444719"	419.243974	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M-2H"	-2.014552
"830176"	139.076474	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-2H"	-2.014552
"85793"	559.327724	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M-H"	-1.007276
"525353"	839.495224	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M-H"	-1.007276
"902061"	279.160224	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-H"	-1.007276
"48781"	576.354271	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M-2H+NH4"	16.019271
"490531"	856.521771	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M-2H+NH4"	16.019271
"869426"	296.186771	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-2H+NH4"	16.019271
"33316"	581.309666	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M-2H+Na"	20.974666
"473000"	861.477166	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M-2H+Na"	20.974666
"849338"	301.142166	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-2H+Na"	20.974666
"1624225"	301.142166	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Na-2H"	20.974666
"95158"	297.148563	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M-H+Cl"	33.962126
"536668"	437.232313	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M-H+Cl"	33.962126
"928361"	157.064813	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-H+Cl"	33.962126
"269105"	595.304402	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+Cl"	34.969402
"663713"	875.471902	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+Cl"	34.969402
"1278303"	315.136902	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Cl"	34.969402
"19037"	597.283606	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M-2H+K"	36.948606
"459332"	877.451106	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M-2H+K"	36.948606
"834949"	317.116106	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-2H+K"	36.948606
"1556615"	317.116106	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+K-2H"	36.948606
"945224"	325.165694	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-H+HCOOH"	44.998194
"363079"	605.333201	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+HCOOH-H"	44.998201
"347328"	619.348851	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+Hac-H"	59.013851
"1495068"	339.181351	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Hac-H"	59.013851
"963705"	347.147651	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-H+NaCOOH"	66.980151
"121361"	315.136902	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+2Cl"	69.938804
"556547"	455.220652	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+2Cl"	69.938804
"1036283"	175.053152	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2Cl"	69.938804
"1252581"	359.086385	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Br"	78.918885
"1313936"	361.142372	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Cl+HCOOH"	80.974872
"1327065"	383.124329	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Cl+NaCOOH"	102.956829
"914842"	393.153086	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M-H+CF3COOH"	112.985586
"1294831"	429.129764	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Cl+CF3COOH"	148.962264
"1372993"	245.154824	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H-2H2O"	-35.012676
"1386117"	263.1648	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H-H2O"	-17.0027
"287993"	561.342276	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+H"	1.007276
"683693"	841.509776	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+H"	1.007276
"1360043"	281.174776	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H"	1.007276
"135119"	281.174776	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+2H"	2.014552
"577959"	421.258526	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+2H"	2.014552
"1047853"	141.091026	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2H"	2.014552
"210286"	187.785609333333	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+3H"	3.021828
"649115"	281.174776	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+3H"	3.021828
"1168335"	94.3964426666667	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+3H"	3.021828
"428695"	578.368823	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+NH4"	18.033823
"789327"	858.536323	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+NH4"	18.033823
"1684560"	298.201323	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+NH4"	18.033823
"330651"	289.6880495	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+H+NH4"	19.041099
"725989"	429.7717995	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+H+NH4"	19.041099
"1481999"	149.6042995	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H+NH4"	19.041099
"397400"	583.324218	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+Na"	22.989218
"756208"	863.491718	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+Na"	22.989218
"1607590"	303.156718	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Na"	22.989218
"325653"	292.165747	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+H+Na"	23.996494
"720992"	432.249497	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+H+Na"	23.996494
"1474083"	152.081997	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H+Na"	23.996494
"1065870"	101.723756666667	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2H+Na"	25.00377
"1266089"	313.200986	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+CH3OH+H"	33.033486
"387579"	599.298158	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+K"	38.963158
"749303"	879.465658	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+K"	38.963158
"1552451"	319.130658	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+K"	38.963158
"310718"	300.152717	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+H+K"	39.970434
"705693"	440.236467	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+H+K"	39.970434
"1459882"	160.068967	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H+K"	39.970434
"250912"	602.368826	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+ACN+H"	42.033826
"1224231"	322.201326	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+ACN+H"	42.033826
"1206527"	161.604301	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+ACN+2H"	43.041102
"203414"	605.30616	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+2Na-H"	44.97116
"642976"	885.47366	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+2Na-H"	44.97116
"1143924"	325.13866	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2Na-H"	44.97116
"186485"	303.156718	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+2Na"	45.978436
"627876"	443.240468	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+2Na"	45.978436
"1129444"	163.072968	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2Na"	45.978436
"1407983"	109.051070666667	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H+2Na"	46.985712
"1440827"	327.180246	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H+HCOOH"	47.012746
"233073"	308.18974	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+3H2O+2H"	56.04448
"1522474"	341.23229	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+IsoProp+H"	61.06479
"418633"	311.143688	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+Na+K"	61.952376
"781814"	451.227438	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+Na+K"	61.952376
"1677052"	171.059938	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Na+K"	61.952376
"262477"	624.350768	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+ACN+Na"	64.015768
"1232267"	344.183268	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+ACN+Na"	64.015768
"1714956"	344.206793	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+NH4+HCOOH"	64.039293
"1182860"	116.378384666667	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+3Na"	68.967654
"1650687"	349.162188	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Na+HCOOH"	68.994688
"157423"	637.25404	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+2K-H"	76.91904
"600641"	917.42154	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+2K-H"	76.91904
"1088067"	357.08654	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2K-H"	76.91904
"148166"	319.130658	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"2M+2K"	77.926316
"586634"	459.214408	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"3M+2K"	77.926316
"1074428"	179.046908	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2K"	77.926316
"1104361"	359.101092	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2K+H"	78.933592
"1350467"	359.188707	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+DMSO+H"	79.021207
"1014745"	363.227876	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2ACN+H"	83.060376
"1528495"	364.221508	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+IsoProp+Na+H"	84.054008
"997128"	182.117576	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+2ACN+2H"	84.067652
"1596008"	365.136128	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+K+HCOOH"	84.968628
"1423854"	395.167638	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+H+CF3COOH"	115.000138
"1155236"	202.630851	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+3ACN+2H"	125.094202
"1705881"	412.194185	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+NH4+CF3COOH"	132.026685
"1634368"	417.14958	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+Na+CF3COOH"	136.98208
"1571721"	433.12352	"C19417"	"34-Epoxy-6-methylcyclohexylmethyl-34-epoxy-6-methylcyclo-hexanecarboxylate"	"C16H24O4"	"280.1675"	"M+K+CF3COOH"	152.95602
"811931"	298.2508	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M"	0
"981090"	279.23241	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-H2O-H"	-19.01839
"71522"	197.826590666667	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M-3H"	-3.021828
"512174"	297.243524	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M-3H"	-3.021828
"886694"	98.4096573333333	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-3H"	-3.021828
"10736"	297.243524	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M-2H"	-2.014552
"444098"	446.368924	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M-2H"	-2.014552
"828827"	148.118124	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-2H"	-2.014552
"84809"	595.494324	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M-H"	-1.007276
"525462"	893.745124	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M-H"	-1.007276
"899255"	297.243524	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-H"	-1.007276
"52174"	612.520871	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M-2H+NH4"	16.019271
"489060"	910.771671	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M-2H+NH4"	16.019271
"866377"	314.270071	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-2H+NH4"	16.019271
"33305"	617.476266	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M-2H+Na"	20.974666
"472989"	915.727066	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M-2H+Na"	20.974666
"849449"	319.225466	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-2H+Na"	20.974666
"1624335"	319.225466	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Na-2H"	20.974666
"95756"	315.231863	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M-H+Cl"	33.962126
"535197"	464.357263	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M-H+Cl"	33.962126
"927984"	166.106463	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-H+Cl"	33.962126
"268848"	631.471002	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+Cl"	34.969402
"662730"	929.721802	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+Cl"	34.969402
"1277320"	333.220202	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Cl"	34.969402
"18055"	633.450206	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M-2H+K"	36.948606
"459442"	931.701006	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M-2H+K"	36.948606
"835059"	335.199406	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-2H+K"	36.948606
"1557089"	335.199406	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+K-2H"	36.948606
"945335"	343.248994	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-H+HCOOH"	44.998194
"362946"	641.499801	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+HCOOH-H"	44.998201
"347559"	655.515451	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+Hac-H"	59.013851
"1495178"	357.264651	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Hac-H"	59.013851
"964908"	365.230951	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-H+NaCOOH"	66.980151
"121471"	333.220202	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+2Cl"	69.938804
"555564"	482.345602	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+2Cl"	69.938804
"1037044"	184.094802	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2Cl"	69.938804
"1246130"	377.169685	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Br"	78.918885
"1314045"	379.225672	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Cl+HCOOH"	80.974872
"1326082"	401.207629	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Cl+NaCOOH"	102.956829
"917139"	411.236386	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M-H+CF3COOH"	112.985586
"1290568"	447.213064	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Cl+CF3COOH"	148.962264
"1374197"	263.238124	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H-2H2O"	-35.012676
"1389508"	281.2481	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H-H2O"	-17.0027
"289560"	597.508876	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+H"	1.007276
"685990"	895.759676	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+H"	1.007276
"1362340"	299.258076	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H"	1.007276
"134136"	299.258076	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+2H"	2.014552
"574790"	448.383476	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+2H"	2.014552
"1046870"	150.132676	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2H"	2.014552
"213675"	199.841142666667	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+3H"	3.021828
"649954"	299.258076	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+3H"	3.021828
"1167351"	100.424209333333	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+3H"	3.021828
"429171"	614.535423	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+NH4"	18.033823
"789801"	912.786223	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+NH4"	18.033823
"1682483"	316.284623	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+NH4"	18.033823
"330274"	307.7713495	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+H+NH4"	19.041099
"725371"	456.8967495	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+H+NH4"	19.041099
"1478828"	158.6459495	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H+NH4"	19.041099
"397512"	619.490818	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+Na"	22.989218
"757412"	917.741618	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+Na"	22.989218
"1605514"	321.240018	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Na"	22.989218
"317738"	310.249047	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+H+Na"	23.996494
"713442"	459.374447	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+H+Na"	23.996494
"1469450"	161.123647	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H+Na"	23.996494
"1059413"	107.751523333333	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2H+Na"	25.00377
"1265835"	331.284286	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+CH3OH+H"	33.033486
"388784"	635.464758	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+K"	38.963158
"754035"	933.715558	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+K"	38.963158
"1552561"	337.213958	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+K"	38.963158
"313748"	318.236017	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+H+K"	39.970434
"706899"	467.361417	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+H+K"	39.970434
"1459627"	169.110617	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H+K"	39.970434
"251274"	638.535426	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+ACN+H"	42.033826
"1225508"	340.284626	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+ACN+H"	42.033826
"1209314"	170.645951	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+ACN+2H"	43.041102
"203610"	641.47276	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+2Na-H"	44.97116
"644105"	939.72356	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+2Na-H"	44.97116
"1146356"	343.22196	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2Na-H"	44.97116
"188187"	321.240018	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+2Na"	45.978436
"628070"	470.365418	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+2Na"	45.978436
"1130284"	172.114618	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2Na"	45.978436
"1405905"	115.078837333333	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H+2Na"	46.985712
"1439115"	345.263546	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H+HCOOH"	47.012746
"226622"	326.27304	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+3H2O+2H"	56.04448
"1522339"	359.31559	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+IsoProp+H"	61.06479
"422025"	329.226988	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+Na+K"	61.952376
"780832"	478.352388	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+Na+K"	61.952376
"1678254"	180.101588	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Na+K"	61.952376
"262585"	660.517368	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+ACN+Na"	64.015768
"1233472"	362.266568	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+ACN+Na"	64.015768
"1720902"	362.290093	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+NH4+HCOOH"	64.039293
"1181878"	122.406151333333	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+3Na"	68.967654
"1651284"	367.245488	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Na+HCOOH"	68.994688
"158635"	673.42064	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+2K-H"	76.91904
"598805"	971.67144	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+2K-H"	76.91904
"1086720"	375.16984	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2K-H"	76.91904
"146089"	337.213958	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"2M+2K"	77.926316
"586744"	486.339358	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"3M+2K"	77.926316
"1071258"	188.088558	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2K"	77.926316
"1103377"	377.184392	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2K+H"	78.933592
"1343041"	377.272007	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+DMSO+H"	79.021207
"1010478"	381.311176	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2ACN+H"	83.060376
"1524955"	382.304808	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+IsoProp+Na+H"	84.054008
"990552"	191.159226	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+2ACN+2H"	84.067652
"1587485"	383.219428	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+K+HCOOH"	84.968628
"1422870"	413.250938	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+H+CF3COOH"	115.000138
"1150971"	211.672501	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+3ACN+2H"	125.094202
"1704897"	430.277485	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+NH4+CF3COOH"	132.026685
"1634248"	435.23288	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+Na+CF3COOH"	136.98208
"1572924"	451.20682	"C19418"	"cis-910-Epoxystearic acid"	"C18H34O3"	"298.2508"	"M+K+CF3COOH"	152.95602
"812041"	60.0034	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M"	0
"982293"	40.98501	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-H2O-H"	-19.01839
"71632"	38.9949906666667	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M-3H"	-3.021828
"512284"	58.996124	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M-3H"	-3.021828
"886804"	18.9938573333333	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-3H"	-3.021828
"10846"	58.996124	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M-2H"	-2.014552
"444208"	88.997824	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M-2H"	-2.014552
"826021"	28.994424	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-2H"	-2.014552
"85283"	118.999524	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M-H"	-1.007276
"525572"	179.002924	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M-H"	-1.007276
"900094"	58.996124	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-H"	-1.007276
"54471"	136.026071	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M-2H+NH4"	16.019271
"490751"	196.029471	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M-2H+NH4"	16.019271
"868553"	76.022671	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-2H+NH4"	16.019271
"33294"	140.981466	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M-2H+Na"	20.974666
"476016"	200.984866	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M-2H+Na"	20.974666
"850898"	80.978066	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-2H+Na"	20.974666
"1621529"	80.978066	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Na-2H"	20.974666
"95380"	76.984463	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M-H+Cl"	33.962126
"538344"	106.986163	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M-H+Cl"	33.962126
"929670"	46.982763	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-H+Cl"	33.962126
"271870"	154.976202	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+Cl"	34.969402
"662836"	214.979602	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+Cl"	34.969402
"1274877"	94.972802	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Cl"	34.969402
"18526"	156.955406	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M-2H+K"	36.948606
"458457"	216.958806	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M-2H+K"	36.948606
"834435"	96.952006	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-2H+K"	36.948606
"1556467"	96.952006	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+K-2H"	36.948606
"945444"	105.001594	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-H+HCOOH"	44.998194
"363663"	165.005001	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+HCOOH-H"	44.998201
"347912"	179.020651	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+Hac-H"	59.013851
"1495288"	119.017251	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Hac-H"	59.013851
"959059"	126.983551	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-H+NaCOOH"	66.980151
"117206"	94.972802	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+2Cl"	69.938804
"554580"	124.974502	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+2Cl"	69.938804
"1029942"	64.971102	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2Cl"	69.938804
"1247333"	138.922285	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Br"	78.918885
"1310875"	140.978272	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Cl+HCOOH"	80.974872
"1324002"	162.960229	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Cl+NaCOOH"	102.956829
"915062"	172.988986	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M-H+CF3COOH"	112.985586
"1293958"	208.965664	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Cl+CF3COOH"	148.962264
"1375399"	24.990724	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H-2H2O"	-35.012676
"1392898"	43.0007	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H-H2O"	-17.0027
"291493"	121.014076	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+H"	1.007276
"686100"	181.017476	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+H"	1.007276
"1364636"	61.010676	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H"	1.007276
"138619"	61.010676	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+2H"	2.014552
"578179"	91.012376	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+2H"	2.014552
"1049533"	31.008976	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2H"	2.014552
"210505"	41.0095426666667	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+3H"	3.021828
"650066"	61.010676	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+3H"	3.021828
"1168556"	21.0084093333333	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+3H"	3.021828
"429281"	138.040623	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+NH4"	18.033823
"789547"	198.044023	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+NH4"	18.033823
"1683687"	78.037223	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+NH4"	18.033823
"333790"	69.5239495	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+H+NH4"	19.041099
"729492"	99.5256495	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+H+NH4"	19.041099
"1481125"	39.5222495	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H+NH4"	19.041099
"400900"	142.996018	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+Na"	22.989218
"761895"	202.999418	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+Na"	22.989218
"1607811"	82.992618	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Na"	22.989218
"315661"	72.001647	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+H+Na"	23.996494
"708081"	102.003347	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+H+Na"	23.996494
"1466277"	41.999947	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H+Na"	23.996494
"1060616"	28.3357233333333	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2H+Na"	25.00377
"1263390"	93.036886	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+CH3OH+H"	33.033486
"381965"	158.969958	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+K"	38.963158
"753170"	218.973358	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+K"	38.963158
"1551576"	98.966558	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+K"	38.963158
"312033"	79.988617	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+H+K"	39.970434
"706984"	109.990317	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+H+K"	39.970434
"1460953"	49.986917	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H+K"	39.970434
"251356"	162.040626	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+ACN+H"	42.033826
"1224933"	102.037226	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+ACN+H"	42.033826
"1209342"	51.522251	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+ACN+2H"	43.041102
"204052"	164.97796	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+2Na-H"	44.97116
"643977"	224.98136	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+2Na-H"	44.97116
"1146700"	104.97456	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2Na-H"	44.97116
"188300"	82.992618	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+2Na"	45.978436
"627981"	112.994318	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+2Na"	45.978436
"1130875"	52.990918	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2Na"	45.978436
"1411483"	35.6630373333333	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H+2Na"	46.985712
"1440319"	107.016146	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H+HCOOH"	47.012746
"231106"	88.02564	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+3H2O+2H"	56.04448
"1520262"	121.06819	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+IsoProp+H"	61.06479
"421041"	90.979588	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+Na+K"	61.952376
"784221"	120.981288	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+Na+K"	61.952376
"1677271"	60.977888	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Na+K"	61.952376
"259414"	184.022568	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+ACN+Na"	64.015768
"1232125"	124.019168	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+ACN+Na"	64.015768
"1724291"	124.042693	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+NH4+HCOOH"	64.039293
"1181986"	42.9903513333333	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+3Na"	68.967654
"1653338"	128.998088	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Na+HCOOH"	68.994688
"158744"	196.92584	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+2K-H"	76.91904
"598057"	256.92924	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+2K-H"	76.91904
"1089383"	136.92244	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2K-H"	76.91904
"147291"	98.966558	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"2M+2K"	77.926316
"590134"	128.968258	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"3M+2K"	77.926316
"1074649"	68.964858	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2K"	77.926316
"1110047"	138.936992	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2K+H"	78.933592
"1346431"	139.024607	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+DMSO+H"	79.021207
"1006941"	143.063776	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2ACN+H"	83.060376
"1525187"	144.057408	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+IsoProp+Na+H"	84.054008
"990657"	72.035526	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+2ACN+2H"	84.067652
"1587716"	144.972028	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+K+HCOOH"	84.968628
"1419700"	175.003538	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+H+CF3COOH"	115.000138
"1151081"	92.548801	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+3ACN+2H"	125.094202
"1701727"	192.030085	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+NH4+CF3COOH"	132.026685
"1635196"	196.98548	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+Na+CF3COOH"	136.98208
"1573034"	212.95942	"C19419"	"Ethylene sulfide;Thiirane"	"C2H4S"	"60.0034"	"M+K+CF3COOH"	152.95602
"812151"	184.1463	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M"	0
"982403"	165.12791	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-H2O-H"	-19.01839
"75022"	121.756924	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M-3H"	-3.021828
"512394"	183.139024	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M-3H"	-3.021828
"890195"	60.374824	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-3H"	-3.021828
"7677"	183.139024	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M-2H"	-2.014552
"445049"	275.212174	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M-2H"	-2.014552
"829412"	91.065874	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-2H"	-2.014552
"85029"	367.285324	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M-H"	-1.007276
"525682"	551.431624	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M-H"	-1.007276
"900204"	183.139024	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-H"	-1.007276
"54581"	384.311871	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M-2H+NH4"	16.019271
"489767"	568.458171	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M-2H+NH4"	16.019271
"867570"	200.165571	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-2H+NH4"	16.019271
"33283"	389.267266	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M-2H+Na"	20.974666
"473939"	573.413566	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M-2H+Na"	20.974666
"849551"	205.120966	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-2H+Na"	20.974666
"1621275"	205.120966	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Na-2H"	20.974666
"95612"	201.127363	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M-H+Cl"	33.962126
"536269"	293.200513	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M-H+Cl"	33.962126
"927475"	109.054213	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-H+Cl"	33.962126
"272345"	403.262002	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+Cl"	34.969402
"661488"	587.408302	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+Cl"	34.969402
"1274624"	219.115702	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Cl"	34.969402
"18272"	405.241206	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M-2H+K"	36.948606
"456381"	589.387506	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M-2H+K"	36.948606
"833817"	221.094906	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-2H+K"	36.948606
"1556577"	221.094906	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+K-2H"	36.948606
"943368"	229.144494	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-H+HCOOH"	44.998194
"363045"	413.290801	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+HCOOH-H"	44.998201
"347658"	427.306451	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+Hac-H"	59.013851
"1493087"	243.160151	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Hac-H"	59.013851
"959049"	251.126451	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-H+NaCOOH"	66.980151
"117316"	219.115702	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+2Cl"	69.938804
"554690"	311.188852	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+2Cl"	69.938804
"1030052"	127.042552	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2Cl"	69.938804
"1244163"	263.065185	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Br"	78.918885
"1310985"	265.121172	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Cl+HCOOH"	80.974872
"1320829"	287.103129	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Cl+NaCOOH"	102.956829
"918450"	297.131886	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M-H+CF3COOH"	112.985586
"1295161"	333.108564	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Cl+CF3COOH"	148.962264
"1373323"	149.133624	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H-2H2O"	-35.012676
"1394102"	167.1436	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H-H2O"	-17.0027
"291603"	369.299876	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+H"	1.007276
"686210"	553.446176	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+H"	1.007276
"1364382"	185.153576	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H"	1.007276
"137640"	185.153576	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+2H"	2.014552
"578289"	277.226726	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+2H"	2.014552
"1049642"	93.080426	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2H"	2.014552
"210615"	123.771476	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+3H"	3.021828
"647260"	185.153576	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+3H"	3.021828
"1169395"	62.389376	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+3H"	3.021828
"432671"	386.326423	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+NH4"	18.033823
"792573"	570.472723	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+NH4"	18.033823
"1682705"	202.180123	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+NH4"	18.033823
"334994"	193.6668495	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+H+NH4"	19.041099
"729602"	285.7399995	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+H+NH4"	19.041099
"1483422"	101.5936995	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H+NH4"	19.041099
"401010"	391.281818	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+Na"	22.989218
"762005"	575.428118	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+Na"	22.989218
"1609014"	207.135518	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Na"	22.989218
"317957"	196.144547	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+H+Na"	23.996494
"708312"	288.217697	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+H+Na"	23.996494
"1463105"	104.071397	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H+Na"	23.996494
"1057444"	69.71669	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2H+Na"	25.00377
"1263498"	217.179786	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+CH3OH+H"	33.033486
"387544"	407.255758	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+K"	38.963158
"748539"	591.402058	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+K"	38.963158
"1550593"	223.109458	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+K"	38.963158
"311048"	204.131517	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+H+K"	39.970434
"706389"	296.204667	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+H+K"	39.970434
"1460904"	112.058367	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H+K"	39.970434
"251128"	410.326426	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+ACN+H"	42.033826
"1225042"	226.180126	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+ACN+H"	42.033826
"1207587"	113.593701	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+ACN+2H"	43.041102
"204215"	413.26376	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+2Na-H"	44.97116
"641112"	597.41006	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+2Na-H"	44.97116
"1144254"	229.11746	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2Na-H"	44.97116
"188481"	207.135518	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+2Na"	45.978436
"628470"	299.208668	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+2Na"	45.978436
"1129526"	115.062368	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2Na"	45.978436
"1412687"	77.044004	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H+2Na"	46.985712
"1444074"	231.159046	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H+HCOOH"	47.012746
"233769"	212.16854	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+3H2O+2H"	56.04448
"1521464"	245.21109	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+IsoProp+H"	61.06479
"421151"	215.122488	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+Na+K"	61.952376
"784332"	307.195638	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+Na+K"	61.952376
"1678474"	123.049338	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Na+K"	61.952376
"257338"	432.308368	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+ACN+Na"	64.015768
"1232235"	248.162068	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+ACN+Na"	64.015768
"1723673"	248.185593	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+NH4+HCOOH"	64.039293
"1179910"	84.371318	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+3Na"	68.967654
"1652355"	253.140988	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Na+HCOOH"	68.994688
"158490"	445.21164	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+2K-H"	76.91904
"597804"	629.35794	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+2K-H"	76.91904
"1089493"	261.06534	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2K-H"	76.91904
"148495"	223.109458	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"2M+2K"	77.926316
"589151"	315.182608	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"3M+2K"	77.926316
"1074759"	131.036308	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2K"	77.926316
"1106878"	263.079892	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2K+H"	78.933592
"1346542"	263.167507	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+DMSO+H"	79.021207
"1006687"	267.206676	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2ACN+H"	83.060376
"1524930"	268.200308	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+IsoProp+Na+H"	84.054008
"991379"	134.106976	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+2ACN+2H"	84.067652
"1587584"	269.114928	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+K+HCOOH"	84.968628
"1419810"	299.146438	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+H+CF3COOH"	115.000138
"1150462"	154.620251	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+3ACN+2H"	125.094202
"1700014"	316.172985	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+NH4+CF3COOH"	132.026685
"1635670"	321.12838	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+Na+CF3COOH"	136.98208
"1573144"	337.10232	"C19420"	"2-Ethylhexyl acrylate"	"C11H20O2"	"184.1463"	"M+K+CF3COOH"	152.95602
"812261"	672.0184	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M"	0
"979233"	653.00001	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-H2O-H"	-19.01839
"75132"	447.004990666667	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M-3H"	-3.021828
"509224"	671.011124	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M-3H"	-3.021828
"887025"	222.998857333333	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-3H"	-3.021828
"4507"	671.011124	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M-2H"	-2.014552
"448439"	1007.020324	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M-2H"	-2.014552
"832322"	335.001924	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-2H"	-2.014552
"85139"	1343.029524	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M-H"	-1.007276
"525792"	2015.047924	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M-H"	-1.007276
"902501"	671.011124	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-H"	-1.007276
"55784"	1360.056071	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M-2H+NH4"	16.019271
"494250"	2032.074471	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M-2H+NH4"	16.019271
"869501"	688.037671	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-2H+NH4"	16.019271
"39951"	1365.011466	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M-2H+Na"	20.974666
"475506"	2037.029866	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M-2H+Na"	20.974666
"855491"	692.993066	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-2H+Na"	20.974666
"1622839"	692.993066	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Na-2H"	20.974666
"103373"	688.999463	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M-H+Cl"	33.962126
"540750"	1025.008663	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M-H+Cl"	33.962126
"933172"	352.990263	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-H+Cl"	33.962126
"275371"	1379.006202	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+Cl"	34.969402
"668158"	2051.024602	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+Cl"	34.969402
"1278746"	706.987802	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Cl"	34.969402
"22395"	1380.985406	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M-2H+K"	36.948606
"459042"	2053.003806	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M-2H+K"	36.948606
"836479"	708.967006	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-2H+K"	36.948606
"1558873"	708.967006	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+K-2H"	36.948606
"943478"	717.016594	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-H+HCOOH"	44.998194
"362791"	1389.035001	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+HCOOH-H"	44.998201
"347768"	1403.050651	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+Hac-H"	59.013851
"1493441"	731.032251	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Hac-H"	59.013851
"966331"	738.998551	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-H+NaCOOH"	66.980151
"117426"	706.987802	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+2Cl"	69.938804
"558080"	1042.997002	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+2Cl"	69.938804
"1030162"	370.978602	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2Cl"	69.938804
"1244273"	750.937285	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Br"	78.918885
"1307814"	752.993272	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Cl+HCOOH"	80.974872
"1325313"	774.975229	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Cl+NaCOOH"	102.956829
"916373"	785.003986	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M-H+CF3COOH"	112.985586
"1293084"	820.980664	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Cl+CF3COOH"	148.962264
"1367964"	637.005724	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H-2H2O"	-35.012676
"1396035"	655.0157	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H-H2O"	-17.0027
"292805"	1345.044076	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+H"	1.007276
"689236"	2017.062476	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+H"	1.007276
"1362668"	673.025676	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H"	1.007276
"139568"	673.025676	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+2H"	2.014552
"578766"	1009.034876	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+2H"	2.014552
"1050479"	337.016476	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2H"	2.014552
"215099"	449.019542666667	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+3H"	3.021828
"652473"	673.025676	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+3H"	3.021828
"1167318"	225.013409333333	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+3H"	3.021828
"431688"	1362.070623	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+NH4"	18.033823
"790497"	2034.089023	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+NH4"	18.033823
"1684639"	690.052223	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+NH4"	18.033823
"339478"	681.5389495	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+H+NH4"	19.041099
"729712"	1017.5481495	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+H+NH4"	19.041099
"1483532"	345.5297495	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H+NH4"	19.041099
"401120"	1367.026018	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+Na"	22.989218
"758835"	2039.044418	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+Na"	22.989218
"1604749"	695.007618	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Na"	22.989218
"316973"	684.016647	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+H+Na"	23.996494
"707570"	1020.025847	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+H+Na"	23.996494
"1462122"	348.007447	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H+Na"	23.996494
"1054273"	232.340723333333	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2H+Na"	25.00377
"1265793"	705.051886	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+CH3OH+H"	33.033486
"385463"	1382.999958	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+K"	38.963158
"749743"	2055.018358	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+K"	38.963158
"1551798"	710.981558	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+K"	38.963158
"312253"	692.003617	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+H+K"	39.970434
"706501"	1028.012817	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+H+K"	39.970434
"1460894"	355.994417	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H+K"	39.970434
"248191"	1386.070626	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+ACN+H"	42.033826
"1224667"	714.052226	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+ACN+H"	42.033826
"1205511"	357.529751	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+ACN+2H"	43.041102
"204162"	1389.00796	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+2Na-H"	44.97116
"636119"	2061.02636	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+2Na-H"	44.97116
"1141448"	716.98956	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2Na-H"	44.97116
"187783"	695.007618	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+2Na"	45.978436
"627833"	1031.016818	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+2Na"	45.978436
"1126355"	358.998418	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2Na"	45.978436
"1411704"	239.668037333333	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H+2Na"	46.985712
"1439810"	719.031146	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H+HCOOH"	47.012746
"230961"	700.04064	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+3H2O+2H"	56.04448
"1520118"	733.08319	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+IsoProp+H"	61.06479
"420534"	702.994588	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+Na+K"	61.952376
"781165"	1039.003788	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+Na+K"	61.952376
"1678585"	366.985388	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Na+K"	61.952376
"257448"	1408.052568	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+ACN+Na"	64.015768
"1227966"	736.034168	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+ACN+Na"	64.015768
"1718315"	736.057693	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+NH4+HCOOH"	64.039293
"1185490"	246.995351333333	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+3Na"	68.967654
"1651369"	741.013088	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Na+HCOOH"	68.994688
"157459"	1420.95584	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+2K-H"	76.91904
"598275"	2092.97424	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+2K-H"	76.91904
"1084857"	748.93744	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2K-H"	76.91904
"145323"	710.981558	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"2M+2K"	77.926316
"581841"	1046.990758	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"3M+2K"	77.926316
"1074869"	374.972358	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2K"	77.926316
"1109176"	750.951992	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2K+H"	78.933592
"1343373"	751.039607	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+DMSO+H"	79.021207
"1005823"	755.078776	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2ACN+H"	83.060376
"1524554"	756.072408	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+IsoProp+Na+H"	84.054008
"990390"	378.043026	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+2ACN+2H"	84.067652
"1587329"	756.987028	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+K+HCOOH"	84.968628
"1418827"	787.018538	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+H+CF3COOH"	115.000138
"1149478"	398.556301	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+3ACN+2H"	125.094202
"1697689"	804.045085	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+NH4+CF3COOH"	132.026685
"1635780"	809.00048	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+Na+CF3COOH"	136.98208
"1573254"	824.97442	"C19421"	"Ethyl selenac"	"C20H40N4S8Se"	"672.0184"	"M+K+CF3COOH"	152.95602
"811278"	959.9824	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M"	0
"986998"	940.96401	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H2O-H"	-19.01839
"69776"	638.980990666667	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-3H"	-3.021828
"515895"	958.975124	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-3H"	-3.021828
"890415"	318.986857333333	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-3H"	-3.021828
"7897"	958.975124	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H"	-2.014552
"448549"	1438.966324	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H"	-2.014552
"831698"	478.983924	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H"	-2.014552
"93150"	1918.957524	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-H"	-1.007276
"525902"	2878.939924	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-H"	-1.007276
"906985"	958.975124	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H"	-1.007276
"54801"	1935.984071	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H+NH4"	16.019271
"495453"	2895.966471	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H+NH4"	16.019271
"871070"	976.001671	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H+NH4"	16.019271
"40063"	1940.939466	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H+Na"	20.974666
"479625"	2900.921866	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H+Na"	20.974666
"853415"	980.957066	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H+Na"	20.974666
"1622949"	980.957066	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na-2H"	20.974666
"100204"	976.963463	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-H+Cl"	33.962126
"538310"	1456.954663	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-H+Cl"	33.962126
"932553"	496.972263	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+Cl"	33.962126
"274026"	1954.934202	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Cl"	34.969402
"662804"	2914.916602	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+Cl"	34.969402
"1276670"	994.951802	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl"	34.969402
"19224"	1956.913406	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M-2H+K"	36.948606
"456518"	2916.895806	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M-2H+K"	36.948606
"833430"	996.931006	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-2H+K"	36.948606
"1557891"	996.931006	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K-2H"	36.948606
"944680"	1004.980594	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+HCOOH"	44.998194
"362901"	1964.963001	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+HCOOH-H"	44.998201
"347878"	1978.978651	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Hac-H"	59.013851
"1493795"	1018.996251	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Hac-H"	59.013851
"966441"	1026.962551	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+NaCOOH"	66.980151
"117536"	994.951802	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2Cl"	69.938804
"557097"	1474.943002	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2Cl"	69.938804
"1029179"	514.960602	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2Cl"	69.938804
"1249851"	1038.901285	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Br"	78.918885
"1313393"	1040.957272	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl+HCOOH"	80.974872
"1325423"	1062.939229	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl+NaCOOH"	102.956829
"913202"	1072.967986	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M-H+CF3COOH"	112.985586
"1289177"	1108.944664	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Cl+CF3COOH"	148.962264
"1373543"	924.969724	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H-2H2O"	-35.012676
"1392134"	942.9797	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H-H2O"	-17.0027
"290726"	1920.972076	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H"	1.007276
"689348"	2880.954476	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H"	1.007276
"1364238"	960.989676	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H"	1.007276
"139314"	960.989676	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2H"	2.014552
"579608"	1440.980876	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2H"	2.014552
"1051684"	480.998476	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2H"	2.014552
"218855"	640.995542666667	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+3H"	3.021828
"652583"	960.989676	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+3H"	3.021828
"1169616"	321.001409333333	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+3H"	3.021828
"435078"	1937.998623	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+NH4"	18.033823
"793887"	2897.981023	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+NH4"	18.033823
"1690217"	978.016223	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+NH4"	18.033823
"339588"	969.5029495	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H+NH4"	19.041099
"729823"	1449.4941495	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H+NH4"	19.041099
"1486923"	489.5117495	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+NH4"	19.041099
"400138"	1942.954018	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Na"	22.989218
"760040"	2902.936418	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+Na"	22.989218
"1608140"	982.971618	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na"	22.989218
"315990"	971.980647	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H+Na"	23.996494
"708411"	1451.971847	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H+Na"	23.996494
"1462108"	491.989447	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+Na"	23.996494
"1059853"	328.328723333333	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2H+Na"	25.00377
"1265543"	993.015886	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+CH3OH+H"	33.033486
"388493"	1958.927958	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+K"	38.963158
"752406"	2918.910358	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+K"	38.963158
"1554829"	998.945558	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K"	38.963158
"312729"	979.967617	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+H+K"	39.970434
"706123"	1459.958817	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+H+K"	39.970434
"1460070"	499.976417	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+K"	39.970434
"250982"	1961.998626	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+ACN+H"	42.033826
"1225152"	1002.016226	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+ACN+H"	42.033826
"1208178"	501.511751	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+ACN+2H"	43.041102
"200679"	1964.93596	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2Na-H"	44.97116
"643282"	2924.91836	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2Na-H"	44.97116
"1146426"	1004.95356	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2Na-H"	44.97116
"188380"	982.971618	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2Na"	45.978436
"627577"	1462.962818	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2Na"	45.978436
"1128292"	502.980418	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2Na"	45.978436
"1406712"	335.656037333333	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+2Na"	46.985712
"1440284"	1006.995146	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+HCOOH"	47.012746
"233626"	988.00464	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+3H2O+2H"	56.04448
"1520594"	1021.04719	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+IsoProp+H"	61.06479
"420645"	990.958588	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+Na+K"	61.952376
"781640"	1470.949788	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+Na+K"	61.952376
"1676144"	510.967388	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na+K"	61.952376
"257558"	1983.980568	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+ACN+Na"	64.015768
"1234644"	1023.998168	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+ACN+Na"	64.015768
"1719520"	1024.021693	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+NH4+HCOOH"	64.039293
"1183779"	342.983351333333	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+3Na"	68.967654
"1652938"	1028.977088	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na+HCOOH"	68.994688
"159434"	1996.88384	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2K-H"	76.91904
"599360"	2956.86624	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2K-H"	76.91904
"1087150"	1036.90144	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2K-H"	76.91904
"142510"	998.945558	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"2M+2K"	77.926316
"583901"	1478.936758	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"3M+2K"	77.926316
"1074979"	518.954358	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2K"	77.926316
"1103820"	1038.915992	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2K+H"	78.933592
"1340205"	1039.003607	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+DMSO+H"	79.021207
"1007638"	1043.042776	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2ACN+H"	83.060376
"1526003"	1044.036408	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+IsoProp+Na+H"	84.054008
"990383"	522.025026	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+2ACN+2H"	84.067652
"1589265"	1044.951028	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K+HCOOH"	84.968628
"1417478"	1074.982538	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+H+CF3COOH"	115.000138
"1153598"	542.538301	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+3ACN+2H"	125.094202
"1698776"	1092.009085	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+NH4+CF3COOH"	132.026685
"1635521"	1096.96448	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+Na+CF3COOH"	136.98208
"1573364"	1112.93842	"C19422"	"Evans blue"	"C34H24N6O14S44Na"	"959.9824"	"M+K+CF3COOH"	152.95602
"816804"	809.1249	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M"	0
"986015"	790.10651	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-H2O-H"	-19.01839
"72070"	538.409324	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M-3H"	-3.021828
"516004"	808.117624	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M-3H"	-3.021828
"895499"	268.701024	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-3H"	-3.021828
"15464"	808.117624	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M-2H"	-2.014552
"454130"	1212.680074	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M-2H"	-2.014552
"832657"	403.555174	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-2H"	-2.014552
"94277"	1617.242524	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M-H"	-1.007276
"529296"	2426.367424	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M-H"	-1.007276
"901628"	808.117624	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-H"	-1.007276
"59287"	1634.269071	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M-2H+NH4"	16.019271
"498847"	2443.393971	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M-2H+NH4"	16.019271
"876648"	825.144171	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-2H+NH4"	16.019271
"40174"	1639.224466	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M-2H+Na"	20.974666
"479736"	2448.349366	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M-2H+Na"	20.974666
"857536"	830.099566	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-2H+Na"	20.974666
"1625976"	830.099566	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Na-2H"	20.974666
"99953"	826.105963	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M-H+Cl"	33.962126
"542064"	1230.668413	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M-H+Cl"	33.962126
"931205"	421.543513	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-H+Cl"	33.962126
"271953"	1653.219202	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+Cl"	34.969402
"661824"	2462.344102	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+Cl"	34.969402
"1280062"	844.094302	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Cl"	34.969402
"17153"	1655.198406	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M-2H+K"	36.948606
"457806"	2464.323306	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M-2H+K"	36.948606
"834148"	846.073506	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-2H+K"	36.948606
"1557274"	846.073506	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+K-2H"	36.948606
"944066"	854.123094	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-H+HCOOH"	44.998194
"366293"	1663.248001	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+HCOOH-H"	44.998201
"347989"	1677.263651	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+Hac-H"	59.013851
"1502290"	868.138751	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Hac-H"	59.013851
"966552"	876.105051	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-H+NaCOOH"	66.980151
"122022"	844.094302	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+2Cl"	69.938804
"564990"	1248.656752	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+2Cl"	69.938804
"1036216"	439.531852	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2Cl"	69.938804
"1254338"	888.043785	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Br"	78.918885
"1317881"	890.099772	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Cl+HCOOH"	80.974872
"1322252"	912.081729	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Cl+NaCOOH"	102.956829
"912461"	922.110486	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M-H+CF3COOH"	112.985586
"1291475"	958.087164	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Cl+CF3COOH"	148.962264
"1372560"	774.112224	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H-2H2O"	-35.012676
"1390057"	792.1222	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H-H2O"	-17.0027
"289741"	1619.257076	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+H"	1.007276
"686540"	2428.381976	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+H"	1.007276
"1363621"	810.132176	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H"	1.007276
"139059"	810.132176	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+2H"	2.014552
"577891"	1214.694626	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+2H"	2.014552
"1050335"	405.569726	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2H"	2.014552
"215319"	540.423876	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+3H"	3.021828
"655973"	810.132176	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+3H"	3.021828
"1173007"	270.715576	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+3H"	3.021828
"434096"	1636.283623	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+NH4"	18.033823
"796184"	2445.408523	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+NH4"	18.033823
"1690328"	827.158723	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+NH4"	18.033823
"338609"	818.6454495	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+H+NH4"	19.041099
"732121"	1223.2078995	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+H+NH4"	19.041099
"1492138"	414.0829995	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H+NH4"	19.041099
"406810"	1641.239018	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+Na"	22.989218
"759058"	2450.363918	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+Na"	22.989218
"1608249"	832.114118	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Na"	22.989218
"320478"	821.123147	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+H+Na"	23.996494
"710710"	1225.685597	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+H+Na"	23.996494
"1469999"	416.560697	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H+Na"	23.996494
"1058873"	278.04289	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2H+Na"	25.00377
"1266020"	842.158386	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+CH3OH+H"	33.033486
"384596"	1657.212958	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+K"	38.963158
"745590"	2466.337858	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+K"	38.963158
"1552019"	848.088058	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+K"	38.963158
"309923"	829.110117	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+H+K"	39.970434
"704167"	1233.672567	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+H+K"	39.970434
"1461155"	424.547667	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H+K"	39.970434
"250885"	1660.283626	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+ACN+H"	42.033826
"1225055"	851.158726	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+ACN+H"	42.033826
"1209351"	426.083001	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+ACN+2H"	43.041102
"203843"	1663.22096	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+2Na-H"	44.97116
"643953"	2472.34586	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+2Na-H"	44.97116
"1145691"	854.09606	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2Na-H"	44.97116
"187038"	832.114118	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+2Na"	45.978436
"628051"	1236.676568	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+2Na"	45.978436
"1128400"	427.551668	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2Na"	45.978436
"1410467"	285.370204	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H+2Na"	46.985712
"1441854"	856.137646	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H+HCOOH"	47.012746
"230456"	837.14714	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+3H2O+2H"	56.04448
"1522528"	870.18969	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+IsoProp+H"	61.06479
"422945"	840.101088	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+Na+K"	61.952376
"784792"	1244.663538	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+Na+K"	61.952376
"1679542"	435.538638	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Na+K"	61.952376
"264236"	1682.265568	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+ACN+Na"	64.015768
"1240832"	873.140668	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+ACN+Na"	64.015768
"1719264"	873.164193	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+NH4+HCOOH"	64.039293
"1191913"	292.697518	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+3Na"	68.967654
"1661075"	878.119588	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Na+HCOOH"	68.994688
"160279"	1695.16884	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+2K-H"	76.91904
"598379"	2504.29374	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+2K-H"	76.91904
"1087633"	886.04394	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2K-H"	76.91904
"146637"	848.088058	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"2M+2K"	77.926316
"591668"	1252.650508	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"3M+2K"	77.926316
"1082016"	443.525608	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2K"	77.926316
"1105024"	888.058492	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2K+H"	78.933592
"1340315"	888.146107	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+DMSO+H"	79.021207
"1007869"	892.185276	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2ACN+H"	83.060376
"1528057"	893.178908	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+IsoProp+Na+H"	84.054008
"993411"	446.596276	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+2ACN+2H"	84.067652
"1589011"	894.093528	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+K+HCOOH"	84.968628
"1416129"	924.125038	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+H+CF3COOH"	115.000138
"1150427"	467.109551	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+3ACN+2H"	125.094202
"1699246"	941.151585	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+NH4+CF3COOH"	132.026685
"1634902"	946.10698	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+Na+CF3COOH"	136.98208
"1573474"	962.08092	"C19423"	"Fast green FCF"	"C37H35N2O10S32Na"	"809.1249"	"M+K+CF3COOH"	152.95602
"811498"	159.8546	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M"	0
"985031"	140.83621	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-H2O-H"	-19.01839
"72183"	105.562457333333	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M-3H"	-3.021828
"515022"	158.847324	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M-3H"	-3.021828
"890637"	52.2775906666667	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-3H"	-3.021828
"11399"	158.847324	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M-2H"	-2.014552
"447677"	238.774624	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M-2H"	-2.014552
"829854"	78.920024	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-2H"	-2.014552
"92032"	318.701924	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M-H"	-1.007276
"525031"	478.556524	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M-H"	-1.007276
"899551"	158.847324	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-H"	-1.007276
"53930"	335.728471	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M-2H+NH4"	16.019271
"495677"	495.583071	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M-2H+NH4"	16.019271
"876758"	175.873871	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-2H+NH4"	16.019271
"40286"	340.683866	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M-2H+Na"	20.974666
"476565"	500.538466	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M-2H+Na"	20.974666
"858740"	180.829266	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-2H+Na"	20.974666
"1624991"	180.829266	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Na-2H"	20.974666
"100426"	176.835663	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M-H+Cl"	33.962126
"537800"	256.762963	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M-H+Cl"	33.962126
"931315"	96.908363	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-H+Cl"	33.962126
"270968"	354.678602	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+Cl"	34.969402
"663391"	514.533202	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+Cl"	34.969402
"1274340"	194.824002	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Cl"	34.969402
"18348"	356.657806	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M-2H+K"	36.948606
"458277"	516.512406	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M-2H+K"	36.948606
"833648"	196.803206	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-2H+K"	36.948606
"1556655"	196.803206	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+K-2H"	36.948606
"944176"	204.852794	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-H+HCOOH"	44.998194
"365310"	364.707401	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+HCOOH-H"	44.998201
"352472"	378.723051	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+Hac-H"	59.013851
"1501307"	218.868451	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Hac-H"	59.013851
"966662"	226.834751	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-H+NaCOOH"	66.980151
"122132"	194.824002	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+2Cl"	69.938804
"563516"	274.751302	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+2Cl"	69.938804
"1034867"	114.896702	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2Cl"	69.938804
"1254812"	238.773485	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Br"	78.918885
"1317991"	240.829472	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Cl+HCOOH"	80.974872
"1328925"	262.811429	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Cl+NaCOOH"	102.956829
"912693"	272.840186	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M-H+CF3COOH"	112.985586
"1293409"	308.816864	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Cl+CF3COOH"	148.962264
"1371577"	124.841924	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H-2H2O"	-35.012676
"1389073"	142.8519	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H-H2O"	-17.0027
"286572"	320.716476	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+H"	1.007276
"686651"	480.571076	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+H"	1.007276
"1364096"	160.861876	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H"	1.007276
"138443"	160.861876	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+2H"	2.014552
"575815"	240.789176	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+2H"	2.014552
"1047895"	80.934576	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2H"	2.014552
"214701"	107.577009333333	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+3H"	3.021828
"655355"	160.861876	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+3H"	3.021828
"1169837"	54.2921426666667	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+3H"	3.021828
"433111"	337.743023	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+NH4"	18.033823
"799213"	497.597623	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+NH4"	18.033823
"1690441"	177.888423	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+NH4"	18.033823
"343091"	169.3751495	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+H+NH4"	19.041099
"735514"	249.3024495	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+H+NH4"	19.041099
"1490792"	89.4478495	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H+NH4"	19.041099
"402545"	342.698418	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+Na"	22.989218
"764638"	502.553018	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+Na"	22.989218
"1608361"	182.843818	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Na"	22.989218
"320588"	171.852847	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+H+Na"	23.996494
"708634"	251.780147	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+H+Na"	23.996494
"1467923"	91.925547	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H+Na"	23.996494
"1057889"	61.6194566666667	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2H+Na"	25.00377
"1263945"	192.888086	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+CH3OH+H"	33.033486
"384707"	358.672358	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+K"	38.963158
"745700"	518.526958	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+K"	38.963158
"1549943"	198.817758	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+K"	38.963158
"311128"	179.839817	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+H+K"	39.970434
"704278"	259.767117	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+H+K"	39.970434
"1461111"	99.912517	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H+K"	39.970434
"248886"	361.743026	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+ACN+H"	42.033826
"1225375"	201.888426	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+ACN+H"	42.033826
"1209538"	101.447851	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+ACN+2H"	43.041102
"204115"	364.68036	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+2Na-H"	44.97116
"644173"	524.53496	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+2Na-H"	44.97116
"1146572"	204.82576	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2Na-H"	44.97116
"187629"	182.843818	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+2Na"	45.978436
"627554"	262.771118	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+2Na"	45.978436
"1128147"	102.916518	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2Na"	45.978436
"1410940"	68.9467706666667	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H+2Na"	46.985712
"1442691"	206.867346	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H+HCOOH"	47.012746
"234575"	187.87684	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+3H2O+2H"	56.04448
"1522637"	220.91939	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+IsoProp+H"	61.06479
"420137"	190.830788	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+Na+K"	61.952376
"782594"	270.758088	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+Na+K"	61.952376
"1678558"	110.903488	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Na+K"	61.952376
"263977"	383.724968	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+ACN+Na"	64.015768
"1238145"	223.870368	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+ACN+Na"	64.015768
"1724115"	223.893893	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+NH4+HCOOH"	64.039293
"1184730"	76.2740846666667	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+3Na"	68.967654
"1653529"	228.849288	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Na+HCOOH"	68.994688
"161481"	396.62824	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+2K-H"	76.91904
"606511"	556.48284	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+2K-H"	76.91904
"1085920"	236.77364	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2K-H"	76.91904
"142494"	198.817758	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"2M+2K"	77.926316
"588497"	278.745058	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"3M+2K"	77.926316
"1078479"	118.890458	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2K"	77.926316
"1104404"	238.788192	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2K+H"	78.933592
"1346982"	238.875807	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+DMSO+H"	79.021207
"1008951"	242.914976	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2ACN+H"	83.060376
"1527074"	243.908608	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+IsoProp+Na+H"	84.054008
"991457"	121.961126	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+2ACN+2H"	84.067652
"1591308"	244.823228	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+K+HCOOH"	84.968628
"1422437"	274.854738	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+H+CF3COOH"	115.000138
"1150537"	142.474401	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+3ACN+2H"	125.094202
"1697902"	291.881285	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+NH4+CF3COOH"	132.026685
"1634362"	296.83668	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+Na+CF3COOH"	136.98208
"1573584"	312.81062	"C19424"	"Ferric oxide"	"Fe2O3"	"159.8546"	"M+K+CF3COOH"	152.95602
"816228"	202.0783	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M"	0
"989441"	183.05991	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-H2O-H"	-19.01839
"78130"	133.711590666667	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M-3H"	-3.021828
"518174"	201.071024	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M-3H"	-3.021828
"892935"	66.3521573333333	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-3H"	-3.021828
"11510"	201.071024	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M-2H"	-2.014552
"454349"	302.110174	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M-2H"	-2.014552
"832154"	100.031874	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-2H"	-2.014552
"88863"	403.149324	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M-H"	-1.007276
"526234"	605.227624	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M-H"	-1.007276
"907316"	201.071024	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-H"	-1.007276
"54040"	420.175871	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M-2H+NH4"	16.019271
"501255"	622.254171	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M-2H+NH4"	16.019271
"876868"	218.097571	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-2H+NH4"	16.019271
"41489"	425.131266	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M-2H+Na"	20.974666
"478133"	627.209566	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M-2H+Na"	20.974666
"854475"	223.052966	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-2H+Na"	20.974666
"1623281"	223.052966	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Na-2H"	20.974666
"99446"	219.059363	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M-H+Cl"	33.962126
"538641"	320.098513	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M-H+Cl"	33.962126
"930699"	118.020213	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-H+Cl"	33.962126
"269988"	439.126002	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+Cl"	34.969402
"664595"	641.204302	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+Cl"	34.969402
"1274812"	237.047702	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Cl"	34.969402
"17126"	441.105206	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M-2H+K"	36.948606
"456443"	643.183506	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M-2H+K"	36.948606
"833760"	239.026906	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-2H+K"	36.948606
"1562598"	239.026906	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+K-2H"	36.948606
"947202"	247.076494	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-H+HCOOH"	44.998194
"370887"	449.154801	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+HCOOH-H"	44.998201
"356956"	463.170451	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+Hac-H"	59.013851
"1501417"	261.092151	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Hac-H"	59.013851
"966772"	269.058451	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-H+NaCOOH"	66.980151
"120054"	237.047702	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+2Cl"	69.938804
"557428"	338.086852	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+2Cl"	69.938804
"1029508"	136.008552	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2Cl"	69.938804
"1251275"	280.997185	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Br"	78.918885
"1318829"	283.053172	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Cl+HCOOH"	80.974872
"1329035"	305.035129	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Cl+NaCOOH"	102.956829
"917908"	315.063886	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M-H+CF3COOH"	112.985586
"1291334"	351.040564	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Cl+CF3COOH"	148.962264
"1371687"	167.065624	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H-2H2O"	-35.012676
"1388452"	185.0756	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H-H2O"	-17.0027
"295432"	405.163876	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+H"	1.007276
"688220"	607.242176	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+H"	1.007276
"1362746"	203.085576	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H"	1.007276
"135998"	203.085576	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+2H"	2.014552
"575925"	304.124726	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+2H"	2.014552
"1045453"	102.046426	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2H"	2.014552
"208978"	135.726142666667	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+3H"	3.021828
"655465"	203.085576	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+3H"	3.021828
"1166665"	68.3667093333333	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+3H"	3.021828
"433221"	422.190423	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+NH4"	18.033823
"799322"	624.268723	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+NH4"	18.033823
"1690548"	220.112123	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+NH4"	18.033823
"343201"	211.5988495	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+H+NH4"	19.041099
"735988"	312.6379995	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+H+NH4"	19.041099
"1490536"	110.5596995	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H+NH4"	19.041099
"404842"	427.145818	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+Na"	22.989218
"765838"	629.224118	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+Na"	22.989218
"1612845"	225.067518	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Na"	22.989218
"319602"	214.076547	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+H+Na"	23.996494
"710200"	315.115697	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+H+Na"	23.996494
"1468032"	113.037397	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H+Na"	23.996494
"1056905"	75.6940233333333	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2H+Na"	25.00377
"1262957"	235.111786	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+CH3OH+H"	33.033486
"385908"	443.119758	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+K"	38.963158
"744718"	645.198058	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+K"	38.963158
"1548957"	241.041458	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+K"	38.963158
"306133"	222.063517	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+H+K"	39.970434
"702927"	323.102667	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+H+K"	39.970434
"1453468"	121.024367	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H+K"	39.970434
"248632"	446.190426	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+ACN+H"	42.033826
"1224255"	244.112126	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+ACN+H"	42.033826
"1209523"	122.559701	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+ACN+2H"	43.041102
"198823"	449.12776	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+2Na-H"	44.97116
"643738"	651.20606	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+2Na-H"	44.97116
"1145540"	247.04946	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2Na-H"	44.97116
"187013"	225.067518	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+2Na"	45.978436
"625476"	326.106668	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+2Na"	45.978436
"1128253"	124.028368	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2Na"	45.978436
"1409958"	83.0213373333333	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H+2Na"	46.985712
"1439520"	249.091046	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H+HCOOH"	47.012746
"233956"	230.10054	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+3H2O+2H"	56.04448
"1519466"	263.14309	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+IsoProp+H"	61.06479
"420608"	233.054488	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+Na+K"	61.952376
"780874"	334.093638	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+Na+K"	61.952376
"1675745"	132.015338	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Na+K"	61.952376
"256064"	468.172368	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+ACN+Na"	64.015768
"1236797"	266.094068	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+ACN+Na"	64.015768
"1715476"	266.117593	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+NH4+HCOOH"	64.039293
"1179733"	90.3486513333333	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+3Na"	68.967654
"1654732"	271.072988	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Na+HCOOH"	68.994688
"159403"	481.07564	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+2K-H"	76.91904
"600059"	683.15394	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+2K-H"	76.91904
"1084608"	278.99734	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2K-H"	76.91904
"142483"	241.041458	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"2M+2K"	77.926316
"586420"	342.080608	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"3M+2K"	77.926316
"1081505"	140.002308	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2K"	77.926316
"1114963"	281.011892	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2K+H"	78.933592
"1348189"	281.099507	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+DMSO+H"	79.021207
"1016715"	285.138676	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2ACN+H"	83.060376
"1535932"	286.132308	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+IsoProp+Na+H"	84.054008
"993632"	143.072976	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+2ACN+2H"	84.067652
"1594698"	287.046928	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+K+HCOOH"	84.968628
"1420361"	317.078438	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+H+CF3COOH"	115.000138
"1155023"	163.586251	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+3ACN+2H"	125.094202
"1701294"	334.104985	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+NH4+CF3COOH"	132.026685
"1635854"	339.06038	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+Na+CF3COOH"	136.98208
"1573694"	355.03432	"C19425"	"Fluoranthene"	"C16H10"	"202.0783"	"M+K+CF3COOH"	152.95602
"808438"	338.2821	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M"	0
"976503"	319.26371	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-H2O-H"	-19.01839
"75682"	224.514124	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M-3H"	-3.021828
"515243"	337.274824	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M-3H"	-3.021828
"889764"	111.753424	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-3H"	-3.021828
"12713"	337.274824	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M-2H"	-2.014552
"453365"	506.415874	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M-2H"	-2.014552
"830925"	168.133774	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-2H"	-2.014552
"86786"	675.556924	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M-H"	-1.007276
"525251"	1013.839024	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M-H"	-1.007276
"905239"	337.274824	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-H"	-1.007276
"56336"	692.583471	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M-2H+NH4"	16.019271
"498814"	1030.865571	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M-2H+NH4"	16.019271
"874791"	354.301371	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-2H+NH4"	16.019271
"40506"	697.538866	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M-2H+Na"	20.974666
"481159"	1035.820966	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M-2H+Na"	20.974666
"855679"	359.256766	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-2H+Na"	20.974666
"1624121"	359.256766	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Na-2H"	20.974666
"102833"	355.263163	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M-H+Cl"	33.962126
"536930"	524.404213	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M-H+Cl"	33.962126
"930809"	186.122113	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-H+Cl"	33.962126
"270098"	711.533602	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+Cl"	34.969402
"664706"	1049.815702	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+Cl"	34.969402
"1273828"	373.251502	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Cl"	34.969402
"16507"	713.512806	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M-2H+K"	36.948606
"456311"	1051.794906	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M-2H+K"	36.948606
"833871"	375.230706	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-2H+K"	36.948606
"1557241"	375.230706	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+K-2H"	36.948606
"945123"	383.280294	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-H+HCOOH"	44.998194
"369901"	721.562401	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+HCOOH-H"	44.998201
"351598"	735.578051	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+Hac-H"	59.013851
"1498245"	397.295951	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Hac-H"	59.013851
"964696"	405.262251	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-H+NaCOOH"	66.980151
"117977"	373.251502	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+2Cl"	69.938804
"561913"	542.392552	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+2Cl"	69.938804
"1027431"	204.110452	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2Cl"	69.938804
"1250290"	417.200985	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Br"	78.918885
"1316752"	419.256972	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Cl+HCOOH"	80.974872
"1329145"	441.238929	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Cl+NaCOOH"	102.956829
"915829"	451.267686	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M-H+CF3COOH"	112.985586
"1291444"	487.244364	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Cl+CF3COOH"	148.962264
"1375806"	303.269424	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H-2H2O"	-35.012676
"1387833"	321.2794	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H-H2O"	-17.0027
"295906"	677.571476	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+H"	1.007276
"689427"	1015.853576	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+H"	1.007276
"1363225"	339.289376	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H"	1.007276
"136842"	339.289376	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+2H"	2.014552
"573484"	508.430426	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+2H"	2.014552
"1048116"	170.148326	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2H"	2.014552
"215285"	226.528676	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+3H"	3.021828
"655575"	339.289376	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+3H"	3.021828
"1167869"	113.767976	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+3H"	3.021828
"430051"	694.598023	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+NH4"	18.033823
"798707"	1032.880123	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+NH4"	18.033823
"1692847"	356.315923	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+NH4"	18.033823
"343315"	347.8026495	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+H+NH4"	19.041099
"735370"	516.9436995	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+H+NH4"	19.041099
"1489190"	178.6615995	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H+NH4"	19.041099
"404224"	699.553418	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+Na"	22.989218
"767408"	1037.835518	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+Na"	22.989218
"1613321"	361.271318	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Na"	22.989218
"320807"	350.280347	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+H+Na"	23.996494
"712134"	519.421397	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+H+Na"	23.996494
"1464862"	181.139297	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H+Na"	23.996494
"1057015"	121.09529	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2H+Na"	25.00377
"1263068"	371.315586	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+CH3OH+H"	33.033486
"382737"	715.527358	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+K"	38.963158
"744828"	1053.809458	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+K"	38.963158
"1550162"	377.245258	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+K"	38.963158
"307702"	358.267317	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+H+K"	39.970434
"696477"	527.408367	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+H+K"	39.970434
"1451391"	189.126267	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H+K"	39.970434
"251326"	718.598026	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+ACN+H"	42.033826
"1223881"	380.315926	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+ACN+H"	42.033826
"1209635"	190.661601	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+ACN+2H"	43.041102
"200392"	721.53536	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+2Na-H"	44.97116
"642390"	1059.81746	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+2Na-H"	44.97116
"1145894"	383.25326	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2Na-H"	44.97116
"187124"	361.271318	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+2Na"	45.978436
"626680"	530.412368	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+2Na"	45.978436
"1127272"	192.130268	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2Na"	45.978436
"1408973"	128.422604	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H+2Na"	46.985712
"1440360"	385.294846	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H+HCOOH"	47.012746
"232607"	366.30434	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+3H2O+2H"	56.04448
"1518846"	399.34689	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+IsoProp+H"	61.06479
"421083"	369.258288	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+Na+K"	61.952376
"778432"	538.399338	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+Na+K"	61.952376
"1672574"	200.117238	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Na+K"	61.952376
"255080"	740.579968	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+ACN+Na"	64.015768
"1228885"	402.297868	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+ACN+Na"	64.015768
"1716675"	402.321393	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+NH4+HCOOH"	64.039293
"1181297"	135.749918	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+3Na"	68.967654
"1650826"	407.276788	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Na+HCOOH"	68.994688
"157932"	753.48324	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+2K-H"	76.91904
"603449"	1091.76534	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+2K-H"	76.91904
"1086140"	415.20114	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2K-H"	76.91904
"142593"	377.245258	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"2M+2K"	77.926316
"585437"	546.386308	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"3M+2K"	77.926316
"1080886"	208.104208	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2K"	77.926316
"1114958"	417.215692	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2K+H"	78.933592
"1350364"	417.303307	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+DMSO+H"	79.021207
"1015732"	421.342476	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2ACN+H"	83.060376
"1537137"	422.336108	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+IsoProp+Na+H"	84.054008
"995929"	211.174876	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+2ACN+2H"	84.067652
"1598088"	423.250728	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+K+HCOOH"	84.968628
"1419378"	453.282238	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+H+CF3COOH"	115.000138
"1152945"	231.688151	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+3ACN+2H"	125.094202
"1703592"	470.308785	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+NH4+CF3COOH"	132.026685
"1637055"	475.26418	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+Na+CF3COOH"	136.98208
"1573804"	491.23812	"C19426"	"Glycidyl oleate"	"C21H38O3"	"338.2821"	"M+K+CF3COOH"	152.95602
"809642"	340.2977	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M"	0
"977708"	321.27931	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-H2O-H"	-19.01839
"72509"	225.857857333333	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M-3H"	-3.021828
"513162"	339.290424	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M-3H"	-3.021828
"887683"	112.425290666667	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-3H"	-3.021828
"14642"	339.290424	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M-2H"	-2.014552
"452378"	509.439274	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M-2H"	-2.014552
"821435"	169.141574	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-2H"	-2.014552
"86893"	679.588124	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M-H"	-1.007276
"526456"	1019.885824	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M-H"	-1.007276
"908636"	339.290424	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-H"	-1.007276
"57541"	696.614671	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M-2H+NH4"	16.019271
"499289"	1036.912371	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M-2H+NH4"	16.019271
"873810"	356.316971	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-2H+NH4"	16.019271
"41348"	701.570066	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M-2H+Na"	20.974666
"476897"	1041.867766	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M-2H+Na"	20.974666
"855062"	361.272366	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-2H+Na"	20.974666
"1623865"	361.272366	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Na-2H"	20.974666
"97843"	357.278763	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M-H+Cl"	33.962126
"537040"	527.427613	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M-H+Cl"	33.962126
"928370"	187.129913	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-H+Cl"	33.962126
"268145"	715.564802	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+Cl"	34.969402
"660359"	1055.862502	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+Cl"	34.969402
"1277225"	375.267102	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Cl"	34.969402
"23063"	717.544006	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M-2H+K"	36.948606
"456422"	1057.841706	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M-2H+K"	36.948606
"839332"	377.246306	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-2H+K"	36.948606
"1556257"	377.246306	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+K-2H"	36.948606
"949612"	385.295894	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-H+HCOOH"	44.998194
"372199"	725.593601	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+HCOOH-H"	44.998201
"352804"	739.609251	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+Hac-H"	59.013851
"1497263"	399.311551	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Hac-H"	59.013851
"964805"	407.277851	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-H+NaCOOH"	66.980151
"118088"	375.267102	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+2Cl"	69.938804
"557648"	545.415952	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+2Cl"	69.938804
"1030823"	205.118252	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2Cl"	69.938804
"1254777"	419.216585	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Br"	78.918885
"1316133"	421.272572	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Cl+HCOOH"	80.974872
"1328162"	443.254529	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Cl+NaCOOH"	102.956829
"912657"	453.283286	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M-H+CF3COOH"	112.985586
"1293743"	489.259964	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Cl+CF3COOH"	148.962264
"1371907"	305.285024	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H-2H2O"	-35.012676
"1387217"	323.295	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H-H2O"	-17.0027
"295656"	681.602676	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+H"	1.007276
"688075"	1021.900376	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+H"	1.007276
"1361143"	341.304976	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H"	1.007276
"134033"	341.304976	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+2H"	2.014552
"575780"	511.453826	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+2H"	2.014552
"1048954"	171.156126	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2H"	2.014552
"211386"	227.872409333333	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+3H"	3.021828
"647667"	341.304976	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+3H"	3.021828
"1166888"	114.439842666667	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+3H"	3.021828
"437819"	698.629223	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+NH4"	18.033823
"799182"	1038.926923	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+NH4"	18.033823
"1695149"	358.331523	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+NH4"	18.033823
"343790"	349.8182495	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+H+NH4"	19.041099
"737309"	519.9670995	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+H+NH4"	19.041099
"1491858"	179.6693995	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H+NH4"	19.041099
"408066"	703.584618	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+Na"	22.989218
"767520"	1043.882318	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+Na"	22.989218
"1611972"	363.286918	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Na"	22.989218
"322010"	352.295947	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+H+Na"	23.996494
"713336"	522.444797	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+H+Na"	23.996494
"1470440"	182.147097	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H+Na"	23.996494
"1058221"	121.767156666667	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2H+Na"	25.00377
"1265365"	373.331186	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+CH3OH+H"	33.033486
"388314"	719.558558	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+K"	38.963158
"751500"	1059.856258	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+K"	38.963158
"1554648"	379.260858	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+K"	38.963158
"312187"	360.282917	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+H+K"	39.970434
"701326"	530.431767	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+H+K"	39.970434
"1457333"	190.134067	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H+K"	39.970434
"250310"	722.629226	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+ACN+H"	42.033826
"1225293"	382.331526	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+ACN+H"	42.033826
"1208853"	191.669401	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+ACN+2H"	43.041102
"202203"	725.56656	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+2Na-H"	44.97116
"638967"	1065.86426	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+2Na-H"	44.97116
"1145641"	385.26886	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2Na-H"	44.97116
"185533"	363.286918	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+2Na"	45.978436
"624970"	533.435768	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+2Na"	45.978436
"1126651"	193.138068	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2Na"	45.978436
"1410542"	129.094470666667	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H+2Na"	46.985712
"1441565"	387.310446	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H+HCOOH"	47.012746
"233327"	368.31994	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+3H2O+2H"	56.04448
"1520778"	401.36249	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+IsoProp+H"	61.06479
"420830"	371.273888	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+Na+K"	61.952376
"780364"	541.422738	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+Na+K"	61.952376
"1673777"	201.125038	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Na+K"	61.952376
"254463"	744.611168	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+ACN+Na"	64.015768
"1233006"	404.313468	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+ACN+Na"	64.015768
"1720799"	404.336993	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+NH4+HCOOH"	64.039293
"1182141"	136.421784666667	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+3Na"	68.967654
"1653859"	409.292388	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Na+HCOOH"	68.994688
"158534"	757.51444	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+2K-H"	76.91904
"598457"	1097.81214	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+2K-H"	76.91904
"1084298"	417.21674	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2K-H"	76.91904
"141482"	379.260858	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"2M+2K"	77.926316
"591013"	549.409708	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"3M+2K"	77.926316
"1079902"	209.112008	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2K"	77.926316
"1112025"	419.231292	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2K+H"	78.933592
"1347314"	419.318907	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+DMSO+H"	79.021207
"1012563"	423.358076	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2ACN+H"	83.060376
"1535061"	424.351708	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+IsoProp+Na+H"	84.054008
"999323"	212.182676	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+2ACN+2H"	84.067652
"1593826"	425.266328	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+K+HCOOH"	84.968628
"1420580"	455.297838	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+H+CF3COOH"	115.000138
"1149775"	232.695951	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+3ACN+2H"	125.094202
"1703701"	472.324385	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+NH4+CF3COOH"	132.026685
"1637166"	477.27978	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+Na+CF3COOH"	136.98208
"1571440"	493.25372	"C19427"	"Glycidyl stearate"	"C21H40O3"	"340.2977"	"M+K+CF3COOH"	152.95602
"809752"	713.1732	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M"	0
"980005"	694.15481	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-H2O-H"	-19.01839
"72619"	474.441524	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M-3H"	-3.021828
"509992"	712.165924	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M-3H"	-3.021828
"887793"	236.717124	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-3H"	-3.021828
"11836"	712.165924	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M-2H"	-2.014552
"450301"	1068.752524	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M-2H"	-2.014552
"821545"	355.579324	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-2H"	-2.014552
"87002"	1425.339124	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M-H"	-1.007276
"528753"	2138.512324	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M-H"	-1.007276
"908504"	712.165924	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-H"	-1.007276
"59838"	1442.365671	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M-2H+NH4"	16.019271
"501100"	2155.538871	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M-2H+NH4"	16.019271
"873920"	729.192471	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-2H+NH4"	16.019271
"41822"	1447.321066	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M-2H+Na"	20.974666
"478464"	2160.494266	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M-2H+Na"	20.974666
"856995"	734.147866	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-2H+Na"	20.974666
"1624341"	734.147866	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Na-2H"	20.974666
"100140"	730.154263	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M-H+Cl"	33.962126
"539335"	1086.740863	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M-H+Cl"	33.962126
"931392"	373.567663	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-H+Cl"	33.962126
"270684"	1461.315802	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+Cl"	34.969402
"661278"	2174.489002	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+Cl"	34.969402
"1277334"	748.142602	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Cl"	34.969402
"23173"	1463.295006	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M-2H+K"	36.948606
"456531"	2176.468206	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M-2H+K"	36.948606
"839442"	750.121806	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-2H+K"	36.948606
"1557097"	750.121806	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+K-2H"	36.948606
"950814"	758.171394	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-H+HCOOH"	44.998194
"367935"	1471.344601	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+HCOOH-H"	44.998201
"350726"	1485.360251	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+Hac-H"	59.013851
"1496643"	772.187051	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Hac-H"	59.013851
"964915"	780.153351	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-H+NaCOOH"	66.980151
"116011"	748.142602	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+2Cl"	69.938804
"553017"	1104.729202	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+2Cl"	69.938804
"1033119"	391.556002	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2Cl"	69.938804
"1254887"	792.092085	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Br"	78.918885
"1314056"	794.148072	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Cl+HCOOH"	80.974872
"1327177"	816.130029	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Cl+NaCOOH"	102.956829
"912766"	826.158786	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M-H+CF3COOH"	112.985586
"1294946"	862.135464	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Cl+CF3COOH"	148.962264
"1370922"	678.160524	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H-2H2O"	-35.012676
"1388420"	696.1705	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H-H2O"	-17.0027
"294304"	1427.353676	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+H"	1.007276
"690373"	2140.526876	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+H"	1.007276
"1365264"	714.180476	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H"	1.007276
"136332"	714.180476	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+2H"	2.014552
"572610"	1070.767076	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+2H"	2.014552
"1048335"	357.593876	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2H"	2.014552
"210403"	476.456076	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+3H"	3.021828
"648870"	714.180476	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+3H"	3.021828
"1166998"	238.731676	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+3H"	3.021828
"437564"	1444.380223	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+NH4"	18.033823
"800627"	2157.553423	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+NH4"	18.033823
"1694160"	731.207023	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+NH4"	18.033823
"344263"	722.6937495	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+H+NH4"	19.041099
"736685"	1079.2803495	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+H+NH4"	19.041099
"1492247"	366.1071495	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H+NH4"	19.041099
"407360"	1449.335618	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+Na"	22.989218
"766902"	2162.508818	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+Na"	22.989218
"1609894"	736.162418	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Na"	22.989218
"323212"	725.171447	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+H+Na"	23.996494
"712352"	1081.758047	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+H+Na"	23.996494
"1469458"	368.584847	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H+Na"	23.996494
"1058330"	246.05899	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2H+Na"	25.00377
"1265475"	746.206686	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+CH3OH+H"	33.033486
"388424"	1465.309558	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+K"	38.963158
"750512"	2178.482758	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+K"	38.963158
"1554641"	752.136358	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+K"	38.963158
"313391"	733.158417	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+H+K"	39.970434
"703987"	1089.745017	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+H+K"	39.970434
"1455984"	376.571817	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H+K"	39.970434
"251313"	1468.380226	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+ACN+H"	42.033826
"1225428"	755.207026	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+ACN+H"	42.033826
"1209328"	378.107151	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+ACN+2H"	43.041102
"202677"	1471.31756	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+2Na-H"	44.97116
"642357"	2184.49076	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+2Na-H"	44.97116
"1146232"	758.14436	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2Na-H"	44.97116
"186125"	736.162418	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+2Na"	45.978436
"626536"	1092.749018	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+2Na"	45.978436
"1128584"	379.575818	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2Na"	45.978436
"1411011"	253.386304	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H+2Na"	46.985712
"1443979"	760.185946	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H+HCOOH"	47.012746
"234287"	741.19544	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+3H2O+2H"	56.04448
"1521250"	774.23799	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+IsoProp+H"	61.06479
"421303"	744.149388	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+Na+K"	61.952376
"776463"	1100.735988	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+Na+K"	61.952376
"1673887"	387.562788	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Na+K"	61.952376
"253116"	1490.362168	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+ACN+Na"	64.015768
"1233116"	777.188968	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+ACN+Na"	64.015768
"1718722"	777.212493	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+NH4+HCOOH"	64.039293
"1181159"	260.713618	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+3Na"	68.967654
"1653969"	782.167888	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Na+HCOOH"	68.994688
"160830"	1503.26544	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+2K-H"	76.91904
"598200"	2216.43864	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+2K-H"	76.91904
"1084654"	790.09224	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2K-H"	76.91904
"141833"	752.136358	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"2M+2K"	77.926316
"590030"	1108.722958	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"3M+2K"	77.926316
"1078919"	395.549758	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2K"	77.926316
"1104474"	792.106792	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2K+H"	78.933592
"1345237"	792.194407	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+DMSO+H"	79.021207
"1014858"	796.233576	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2ACN+H"	83.060376
"1535171"	797.227208	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+IsoProp+Na+H"	84.054008
"996153"	398.620426	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+2ACN+2H"	84.067652
"1588588"	798.141828	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+K+HCOOH"	84.968628
"1418503"	828.173338	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+H+CF3COOH"	115.000138
"1153165"	419.133701	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+3ACN+2H"	125.094202
"1700531"	845.199885	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+NH4+CF3COOH"	132.026685
"1635453"	850.15528	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+Na+CF3COOH"	136.98208
"1573295"	866.12922	"C19428"	"Guinea green B;CI Acid green 3"	"C37H35N2O6S22Na"	"713.1732"	"M+K+CF3COOH"	152.95602
"812049"	285.1325	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M"	0
"980115"	266.11411	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-H2O-H"	-19.01839
"72729"	189.081057333333	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M-3H"	-3.021828
"513382"	284.125224	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M-3H"	-3.021828
"887903"	94.0368906666667	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-3H"	-3.021828
"13039"	284.125224	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M-2H"	-2.014552
"447131"	426.691474	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M-2H"	-2.014552
"824933"	141.558974	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-2H"	-2.014552
"84924"	569.257724	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M-H"	-1.007276
"528863"	854.390224	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M-H"	-1.007276
"905573"	284.125224	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-H"	-1.007276
"56668"	586.284271	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M-2H+NH4"	16.019271
"495135"	871.416771	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M-2H+NH4"	16.019271
"870750"	301.151771	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-2H+NH4"	16.019271
"39744"	591.239666	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M-2H+Na"	20.974666
"477116"	876.372166	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M-2H+Na"	20.974666
"854552"	306.107166	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-2H+Na"	20.974666
"1623356"	306.107166	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Na-2H"	20.974666
"99886"	302.113563	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M-H+Cl"	33.962126
"537988"	444.679813	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M-H+Cl"	33.962126
"934053"	159.547313	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-H+Cl"	33.962126
"271887"	605.234402	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+Cl"	34.969402
"662483"	890.366902	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+Cl"	34.969402
"1277444"	320.101902	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Cl"	34.969402
"23283"	607.213606	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M-2H+K"	36.948606
"457125"	892.346106	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M-2H+K"	36.948606
"839552"	322.081106	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-2H+K"	36.948606
"1557571"	322.081106	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+K-2H"	36.948606
"953111"	330.130694	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-H+HCOOH"	44.998194
"368045"	615.263201	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+HCOOH-H"	44.998201
"351930"	629.278851	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+Hac-H"	59.013851
"1497480"	344.146351	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Hac-H"	59.013851
"961742"	352.112651	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-H+NaCOOH"	66.980151
"116121"	320.101902	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+2Cl"	69.938804
"552763"	462.668152	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+2Cl"	69.938804
"1027761"	177.535652	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2Cl"	69.938804
"1253902"	364.051385	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Br"	78.918885
"1315258"	366.107372	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Cl+HCOOH"	80.974872
"1326923"	388.089329	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Cl+NaCOOH"	102.956829
"912024"	398.118086	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M-H+CF3COOH"	112.985586
"1295056"	434.094764	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Cl+CF3COOH"	148.962264
"1371396"	250.119824	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H-2H2O"	-35.012676
"1385977"	268.1298	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H-H2O"	-17.0027
"293686"	571.272276	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+H"	1.007276
"690847"	856.404776	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+H"	1.007276
"1365009"	286.139776	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H"	1.007276
"136440"	286.139776	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+2H"	2.014552
"572720"	428.706026	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+2H"	2.014552
"1048080"	143.573526	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2H"	2.014552
"210513"	191.095609333333	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+3H"	3.021828
"647887"	286.139776	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+3H"	3.021828
"1164192"	96.0514426666667	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+3H"	3.021828
"438403"	588.298823	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+NH4"	18.033823
"800493"	873.431323	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+NH4"	18.033823
"1695363"	303.166323	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+NH4"	18.033823
"345348"	294.6530495	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+H+NH4"	19.041099
"736795"	437.2192995	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+H+NH4"	19.041099
"1491829"	152.0867995	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H+NH4"	19.041099
"406376"	593.254218	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+Na"	22.989218
"768470"	878.386718	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+Na"	22.989218
"1610004"	308.121718	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Na"	22.989218
"321135"	297.130747	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+H+Na"	23.996494
"713556"	439.696997	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+H+Na"	23.996494
"1472847"	154.564497	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H+Na"	23.996494
"1059534"	103.378756666667	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2H+Na"	25.00377
"1265586"	318.165986	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+CH3OH+H"	33.033486
"390721"	609.228158	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+K"	38.963158
"750622"	894.360658	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+K"	38.963158
"1555511"	324.095658	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+K"	38.963158
"314210"	305.117717	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+H+K"	39.970434
"706285"	447.683967	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+H+K"	39.970434
"1461159"	162.551467	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H+K"	39.970434
"251143"	612.298826	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+ACN+H"	42.033826
"1225350"	327.166326	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+ACN+H"	42.033826
"1209440"	164.086801	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+ACN+2H"	43.041102
"204183"	615.23616	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+2Na-H"	44.97116
"643691"	900.36866	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+2Na-H"	44.97116
"1146586"	330.10366	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2Na-H"	44.97116
"184898"	308.121718	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+2Na"	45.978436
"625189"	450.687968	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+2Na"	45.978436
"1128696"	165.555468	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2Na"	45.978436
"1410392"	110.706070666667	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H+2Na"	46.985712
"1445061"	332.145246	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H+HCOOH"	47.012746
"234156"	313.15474	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+3H2O+2H"	56.04448
"1523670"	346.19729	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+IsoProp+H"	61.06479
"423600"	316.108688	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+Na+K"	61.952376
"782040"	458.674938	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+Na+K"	61.952376
"1671810"	173.542438	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Na+K"	61.952376
"252862"	634.280768	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+ACN+Na"	64.015768
"1233226"	349.148268	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+ACN+Na"	64.015768
"1718832"	349.171793	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+NH4+HCOOH"	64.039293
"1183091"	118.033384666667	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+3Na"	68.967654
"1656265"	354.127188	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Na+HCOOH"	68.994688
"160940"	647.18404	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+2K-H"	76.91904
"600499"	932.31654	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+2K-H"	76.91904
"1085371"	362.05154	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2K-H"	76.91904
"142676"	324.095658	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"2M+2K"	77.926316
"590140"	466.661908	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"3M+2K"	77.926316
"1080122"	181.529408	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2K"	77.926316
"1104584"	364.066092	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2K+H"	78.933592
"1345347"	364.153707	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+DMSO+H"	79.021207
"1012781"	368.192876	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2ACN+H"	83.060376
"1534187"	369.186508	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+IsoProp+Na+H"	84.054008
"995169"	184.600076	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+2ACN+2H"	84.067652
"1589306"	370.101128	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+K+HCOOH"	84.968628
"1417520"	400.132638	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+H+CF3COOH"	115.000138
"1153275"	205.113351	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+3ACN+2H"	125.094202
"1699182"	417.159185	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+NH4+CF3COOH"	132.026685
"1635563"	422.11458	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+Na+CF3COOH"	136.98208
"1571702"	438.08852	"C19429"	"HC Blue No 2;22-4-(2-Hydroxyethyl)amino-3-nitrophenyliminobis-ethanol"	"C12H19N3O5"	"285.1325"	"M+K+CF3COOH"	152.95602
"813252"	197.08	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M"	0
"983505"	178.06161	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-H2O-H"	-19.01839
"72839"	130.379390666667	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M-3H"	-3.021828
"510212"	196.072724	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M-3H"	-3.021828
"886918"	64.6860573333333	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-3H"	-3.021828
"12055"	196.072724	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M-2H"	-2.014552
"449428"	294.612724	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M-2H"	-2.014552
"826136"	97.532724	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-2H"	-2.014552
"86128"	393.152724	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M-H"	-1.007276
"528973"	590.232724	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M-H"	-1.007276
"904589"	196.072724	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-H"	-1.007276
"56778"	410.179271	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M-2H+NH4"	16.019271
"495245"	607.259271	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M-2H+NH4"	16.019271
"867580"	213.099271	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-2H+NH4"	16.019271
"35844"	415.134666	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M-2H+Na"	20.974666
"475403"	612.214666	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M-2H+Na"	20.974666
"853935"	218.054666	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-2H+Na"	20.974666
"1623467"	218.054666	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Na-2H"	20.974666
"98900"	214.061063	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M-H+Cl"	33.962126
"540646"	312.601063	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M-H+Cl"	33.962126
"931975"	115.521063	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-H+Cl"	33.962126
"273091"	429.129402	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+Cl"	34.969402
"661259"	626.209402	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+Cl"	34.969402
"1277554"	232.049402	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Cl"	34.969402
"24486"	431.108606	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M-2H+K"	36.948606
"456629"	628.188606	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M-2H+K"	36.948606
"836377"	234.028606	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-2H+K"	36.948606
"1557317"	234.028606	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+K-2H"	36.948606
"952857"	242.078194	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-H+HCOOH"	44.998194
"367062"	439.158201	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+HCOOH-H"	44.998201
"351674"	453.173851	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+Hac-H"	59.013851
"1496861"	256.093851	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Hac-H"	59.013851
"962216"	264.060151	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-H+NaCOOH"	66.980151
"117324"	232.049402	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+2Cl"	69.938804
"553237"	330.589402	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+2Cl"	69.938804
"1025684"	133.509402	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2Cl"	69.938804
"1254012"	275.998885	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Br"	78.918885
"1314274"	278.054872	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Cl+HCOOH"	80.974872
"1327762"	300.036829	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Cl+NaCOOH"	102.956829
"912012"	310.065586	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M-H+CF3COOH"	112.985586
"1292250"	346.042264	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Cl+CF3COOH"	148.962264
"1371143"	162.067324	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H-2H2O"	-35.012676
"1388638"	180.0773	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H-H2O"	-17.0027
"293796"	395.167276	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+H"	1.007276
"690230"	592.247276	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+H"	1.007276
"1363661"	198.087276	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H"	1.007276
"138738"	198.087276	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+2H"	2.014552
"575383"	296.627276	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+2H"	2.014552
"1041630"	99.547276	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2H"	2.014552
"210623"	132.393942666667	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+3H"	3.021828
"649090"	198.087276	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+3H"	3.021828
"1167217"	66.7006093333333	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+3H"	3.021828
"438877"	412.193823	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+NH4"	18.033823
"799509"	609.273823	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+NH4"	18.033823
"1692923"	215.113823	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+NH4"	18.033823
"344121"	206.6005495	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+H+NH4"	19.041099
"736540"	305.1405495	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+H+NH4"	19.041099
"1491817"	108.0605495	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H+NH4"	19.041099
"405393"	417.149218	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+Na"	22.989218
"765300"	614.229218	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+Na"	22.989218
"1610114"	220.069218	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Na"	22.989218
"320152"	209.078247	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+H+Na"	23.996494
"713666"	307.618247	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+H+Na"	23.996494
"1471864"	110.538247	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H+Na"	23.996494
"1065109"	74.0279233333333	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2H+Na"	25.00377
"1270068"	230.113486	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+CH3OH+H"	33.033486
"390831"	433.123158	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+K"	38.963158
"752554"	630.203158	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+K"	38.963158
"1554976"	236.043158	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+K"	38.963158
"312759"	217.065217	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+H+K"	39.970434
"704938"	315.605217	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+H+K"	39.970434
"1454016"	118.525217	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H+K"	39.970434
"246992"	436.193826	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+ACN+H"	42.033826
"1224811"	239.113826	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+ACN+H"	42.033826
"1208568"	120.060551	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+ACN+2H"	43.041102
"200831"	439.13116	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+2Na-H"	44.97116
"643672"	636.21116	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+2Na-H"	44.97116
"1146904"	242.05116	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2Na-H"	44.97116
"186827"	220.069218	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+2Na"	45.978436
"627485"	318.609218	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+2Na"	45.978436
"1130627"	121.529218	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2Na"	45.978436
"1411231"	81.3552373333333	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H+2Na"	46.985712
"1444805"	244.092746	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H+HCOOH"	47.012746
"235548"	225.10224	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+3H2O+2H"	56.04448
"1523536"	258.14479	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+IsoProp+H"	61.06479
"420791"	228.056188	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+Na+K"	61.952376
"778870"	326.596188	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+Na+K"	61.952376
"1670826"	129.516188	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Na+K"	61.952376
"252000"	458.175768	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+ACN+Na"	64.015768
"1233336"	261.095768	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+ACN+Na"	64.015768
"1716753"	261.119293	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+NH4+HCOOH"	64.039293
"1181014"	88.6825513333333	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+3Na"	68.967654
"1653095"	266.074688	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Na+HCOOH"	68.994688
"159956"	471.07904	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+2K-H"	76.91904
"598176"	668.15904	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+2K-H"	76.91904
"1084306"	273.99904	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2K-H"	76.91904
"142056"	236.043158	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"2M+2K"	77.926316
"590250"	334.583158	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"3M+2K"	77.926316
"1078045"	137.503158	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2K"	77.926316
"1105787"	276.013592	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2K+H"	78.933592
"1344363"	276.101207	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+DMSO+H"	79.021207
"1013256"	280.140376	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2ACN+H"	83.060376
"1532110"	281.134008	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+IsoProp+Na+H"	84.054008
"995279"	140.573826	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+2ACN+2H"	84.067652
"1589782"	282.048628	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+K+HCOOH"	84.968628
"1419817"	312.080138	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+H+CF3COOH"	115.000138
"1156665"	161.087101	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+3ACN+2H"	125.094202
"1698928"	329.106685	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+NH4+CF3COOH"	132.026685
"1636402"	334.06208	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+Na+CF3COOH"	136.98208
"1571812"	350.03602	"C19430"	"HC Red No 3;2-(4-Amino-2-nitrophenyl)amino-ethanol"	"C8H11N3O3"	"197.08"	"M+K+CF3COOH"	152.95602
"812269"	242.0903	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M"	0
"980334"	223.07191	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-H2O-H"	-19.01839
"69669"	160.386257333333	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M-3H"	-3.021828
"508135"	241.083024	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M-3H"	-3.021828
"888122"	79.6894906666667	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-3H"	-3.021828
"12166"	241.083024	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M-2H"	-2.014552
"449538"	362.128174	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M-2H"	-2.014552
"828434"	120.037874	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-2H"	-2.014552
"87332"	483.173324	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M-H"	-1.007276
"526897"	725.263624	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M-H"	-1.007276
"901419"	241.083024	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-H"	-1.007276
"51418"	500.199871	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M-2H+NH4"	16.019271
"495355"	742.290171	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M-2H+NH4"	16.019271
"867690"	258.109571	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-2H+NH4"	16.019271
"34132"	505.155266	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M-2H+Na"	20.974666
"476243"	747.245566	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M-2H+Na"	20.974666
"851128"	263.064966	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-2H+Na"	20.974666
"1622483"	263.064966	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Na-2H"	20.974666
"96824"	259.071363	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M-H+Cl"	33.962126
"535655"	380.116513	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M-H+Cl"	33.962126
"929899"	138.026213	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-H+Cl"	33.962126
"268460"	519.150002	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+Cl"	34.969402
"661244"	761.240302	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+Cl"	34.969402
"1275474"	277.059702	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Cl"	34.969402
"20222"	521.129206	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M-2H+K"	36.948606
"455892"	763.219506	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M-2H+K"	36.948606
"833448"	279.038906	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-2H+K"	36.948606
"1559979"	279.038906	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+K-2H"	36.948606
"942865"	287.088494	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-H+HCOOH"	44.998194
"366075"	529.178801	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+HCOOH-H"	44.998201
"346679"	543.194451	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+Hac-H"	59.013851
"1494785"	301.104151	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Hac-H"	59.013851
"960140"	309.070451	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-H+NaCOOH"	66.980151
"117434"	277.059702	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+2Cl"	69.938804
"550917"	398.104852	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+2Cl"	69.938804
"1024701"	156.014552	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2Cl"	69.938804
"1250841"	321.009185	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Br"	78.918885
"1315478"	323.065172	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Cl+HCOOH"	80.974872
"1329695"	345.047129	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Cl+NaCOOH"	102.956829
"912368"	355.075886	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M-H+CF3COOH"	112.985586
"1292724"	391.052564	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Cl+CF3COOH"	148.962264
"1371253"	207.077624	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H-2H2O"	-35.012676
"1388748"	225.0876	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H-H2O"	-17.0027
"294270"	485.187876	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+H"	1.007276
"684140"	727.278176	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+H"	1.007276
"1362313"	243.097576	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H"	1.007276
"140306"	243.097576	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+2H"	2.014552
"572941"	364.142726	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+2H"	2.014552
"1041739"	122.052426	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2H"	2.014552
"210733"	162.400809333333	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+3H"	3.021828
"649200"	243.097576	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+3H"	3.021828
"1165140"	81.7040426666667	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+3H"	3.021828
"438987"	502.214423	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+NH4"	18.033823
"798890"	744.304723	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+NH4"	18.033823
"1692303"	260.124123	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+NH4"	18.033823
"344595"	251.6108495	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+H+NH4"	19.041099
"736284"	372.6559995	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+H+NH4"	19.041099
"1491198"	130.5656995	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H+NH4"	19.041099
"404410"	507.169818	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+Na"	22.989218
"765409"	749.260118	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+Na"	22.989218
"1612410"	265.079518	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Na"	22.989218
"322448"	254.088547	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+H+Na"	23.996494
"712683"	375.133697	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+H+Na"	23.996494
"1473067"	133.043397	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H+Na"	23.996494
"1064126"	89.0313566666667	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2H+Na"	25.00377
"1269085"	275.123786	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+CH3OH+H"	33.033486
"390941"	523.143758	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+K"	38.963158
"752664"	765.234058	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+K"	38.963158
"1552531"	281.053458	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+K"	38.963158
"311894"	262.075517	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+H+K"	39.970434
"702494"	383.120667	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+H+K"	39.970434
"1454126"	141.030367	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H+K"	39.970434
"244914"	526.214426	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+ACN+H"	42.033826
"1224188"	284.124126	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+ACN+H"	42.033826
"1206612"	142.565701	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+ACN+2H"	43.041102
"202398"	529.15176	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+2Na-H"	44.97116
"641230"	771.24206	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+2Na-H"	44.97116
"1145103"	287.06146	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2Na-H"	44.97116
"185844"	265.079518	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+2Na"	45.978436
"625407"	386.124668	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+2Na"	45.978436
"1128915"	144.034368	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2Na"	45.978436
"1408061"	96.3586706666667	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H+2Na"	46.985712
"1444551"	289.103046	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H+HCOOH"	47.012746
"235224"	270.11254	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+3H2O+2H"	56.04448
"1522674"	303.15509	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+IsoProp+H"	61.06479
"419444"	273.066488	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+Na+K"	61.952376
"778980"	394.111638	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+Na+K"	61.952376
"1668749"	152.021338	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Na+K"	61.952376
"251989"	548.196368	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+ACN+Na"	64.015768
"1233446"	306.106068	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+ACN+Na"	64.015768
"1717956"	306.129593	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+NH4+HCOOH"	64.039293
"1183310"	103.685984666667	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+3Na"	68.967654
"1655391"	311.084988	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Na+HCOOH"	68.994688
"161159"	561.09964	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+2K-H"	76.91904
"600717"	803.18994	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+2K-H"	76.91904
"1085593"	319.00934	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2K-H"	76.91904
"141922"	281.053458	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"2M+2K"	77.926316
"591453"	402.098608	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"3M+2K"	77.926316
"1079248"	160.008308	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2K"	77.926316
"1104074"	321.023892	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2K+H"	78.933592
"1343379"	321.111507	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+DMSO+H"	79.021207
"1010814"	325.150676	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2ACN+H"	83.060376
"1532220"	326.144308	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+IsoProp+Na+H"	84.054008
"994660"	163.078976	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+2ACN+2H"	84.067652
"1589893"	327.058928	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+K+HCOOH"	84.968628
"1422114"	357.090438	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+H+CF3COOH"	115.000138
"1156775"	183.592251	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+3ACN+2H"	125.094202
"1698674"	374.116985	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+NH4+CF3COOH"	132.026685
"1636512"	379.07238	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+Na+CF3COOH"	136.98208
"1571677"	395.04632	"C19431"	"HC Yellow No 4;2-2-(2-Hydroxyethoxy)-4-nitrophenylamino-ethanol"	"C10H14N2O5"	"242.0903"	"M+K+CF3COOH"	152.95602
"812379"	452.144	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M"	0
"982631"	433.12561	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-H2O-H"	-19.01839
"71965"	300.422057333333	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M-3H"	-3.021828
"512619"	451.136724	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M-3H"	-3.021828
"888232"	149.707390666667	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-3H"	-3.021828
"12276"	451.136724	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M-2H"	-2.014552
"449648"	677.208724	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M-2H"	-2.014552
"827449"	225.064724	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-2H"	-2.014552
"91574"	903.280724	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M-H"	-1.007276
"527007"	1355.424724	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M-H"	-1.007276
"901529"	451.136724	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-H"	-1.007276
"55902"	920.307271	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M-2H+NH4"	16.019271
"493276"	1372.451271	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M-2H+NH4"	16.019271
"868892"	468.163271	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-2H+NH4"	16.019271
"37887"	925.262666	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M-2H+Na"	20.974666
"477447"	1377.406666	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M-2H+Na"	20.974666
"853061"	473.118666	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-2H+Na"	20.974666
"1621135"	473.118666	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Na-2H"	20.974666
"95474"	469.125063	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M-H+Cl"	33.962126
"537587"	695.197063	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M-H+Cl"	33.962126
"928188"	243.053063	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-H+Cl"	33.962126
"267391"	939.257402	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+Cl"	34.969402
"662085"	1391.401402	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+Cl"	34.969402
"1274612"	487.113402	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Cl"	34.969402
"20332"	941.236606	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M-2H+K"	36.948606
"456366"	1393.380606	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M-2H+K"	36.948606
"833272"	489.092606	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-2H+K"	36.948606
"1557172"	489.092606	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+K-2H"	36.948606
"943232"	497.142194	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-H+HCOOH"	44.998194
"366185"	949.286201	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+HCOOH-H"	44.998201
"348612"	963.301851	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+Hac-H"	59.013851
"1494531"	511.157851	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Hac-H"	59.013851
"960250"	519.124151	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-H+NaCOOH"	66.980151
"115721"	487.113402	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+2Cl"	69.938804
"550298"	713.185402	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+2Cl"	69.938804
"1024811"	261.041402	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2Cl"	69.938804
"1250951"	531.062885	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Br"	78.918885
"1309025"	533.118872	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Cl+HCOOH"	80.974872
"1331629"	555.100829	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Cl+NaCOOH"	102.956829
"922688"	565.129586	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M-H+CF3COOH"	112.985586
"1292470"	601.106264	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Cl+CF3COOH"	148.962264
"1371727"	417.131324	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H-2H2O"	-35.012676
"1387765"	435.1413	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H-H2O"	-17.0027
"294380"	905.295276	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+H"	1.007276
"682063"	1357.439276	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+H"	1.007276
"1363151"	453.151276	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H"	1.007276
"140417"	453.151276	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+2H"	2.014552
"577790"	679.223276	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+2H"	2.014552
"1047682"	227.079276	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2H"	2.014552
"211937"	302.436609333333	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+3H"	3.021828
"650404"	453.151276	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+3H"	3.021828
"1169623"	151.721942666667	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+3H"	3.021828
"436910"	922.321823	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+NH4"	18.033823
"797906"	1374.465823	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+NH4"	18.033823
"1691320"	470.177823	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+NH4"	18.033823
"343245"	461.6645495	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+H+NH4"	19.041099
"735666"	687.7365495	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+H+NH4"	19.041099
"1490944"	235.5925495	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H+NH4"	19.041099
"404520"	927.277218	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+Na"	22.989218
"765518"	1379.421218	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+Na"	22.989218
"1611427"	475.133218	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Na"	22.989218
"322559"	464.142247	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+H+Na"	23.996494
"714980"	690.214247	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+H+Na"	23.996494
"1472084"	238.070247	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H+Na"	23.996494
"1063143"	159.049256666667	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2H+Na"	25.00377
"1269196"	485.177486	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+CH3OH+H"	33.033486
"389958"	943.251158	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+K"	38.963158
"752774"	1395.395158	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+K"	38.963158
"1554830"	491.107158	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+K"	38.963158
"312004"	472.129217	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+H+K"	39.970434
"704792"	698.201217	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+H+K"	39.970434
"1454236"	246.057217	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H+K"	39.970434
"249034"	946.321826	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+ACN+H"	42.033826
"1225030"	494.177826	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+ACN+H"	42.033826
"1208424"	247.592551	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+ACN+2H"	43.041102
"203605"	949.25916	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+2Na-H"	44.97116
"643409"	1401.40316	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+2Na-H"	44.97116
"1145216"	497.11516	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2Na-H"	44.97116
"185591"	475.133218	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+2Na"	45.978436
"624424"	701.205218	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+2Na"	45.978436
"1128296"	249.061218	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2Na"	45.978436
"1408171"	166.376570666667	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H+2Na"	46.985712
"1443568"	499.156746	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H+HCOOH"	47.012746
"234969"	480.16624	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+3H2O+2H"	56.04448
"1522420"	513.20879	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+IsoProp+H"	61.06479
"421741"	483.120188	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+Na+K"	61.952376
"780914"	709.192188	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+Na+K"	61.952376
"1671046"	257.048188	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Na+K"	61.952376
"257566"	968.303768	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+ACN+Na"	64.015768
"1233556"	516.159768	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+ACN+Na"	64.015768
"1716973"	516.183293	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+NH4+HCOOH"	64.039293
"1181234"	173.703884666667	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+3Na"	68.967654
"1655501"	521.138688	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Na+HCOOH"	68.994688
"163456"	981.20704	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+2K-H"	76.91904
"599736"	1433.35104	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+2K-H"	76.91904
"1085947"	529.06304	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2K-H"	76.91904
"143371"	491.107158	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"2M+2K"	77.926316
"592656"	717.179158	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"3M+2K"	77.926316
"1078265"	265.035158	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2K"	77.926316
"1104913"	531.077592	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2K+H"	78.933592
"1345674"	531.165207	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+DMSO+H"	79.021207
"1019674"	535.204376	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2ACN+H"	83.060376
"1530143"	536.198008	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+IsoProp+Na+H"	84.054008
"996593"	268.105826	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+2ACN+2H"	84.067652
"1588910"	537.112628	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+K+HCOOH"	84.968628
"1424411"	567.144138	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+H+CF3COOH"	115.000138
"1155792"	288.619101	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+3ACN+2H"	125.094202
"1700971"	584.170685	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+NH4+CF3COOH"	132.026685
"1638809"	589.12608	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+Na+CF3COOH"	136.98208
"1571464"	605.10002	"C19432"	"Hycanthone mesylate"	"C20H24N2O2SCH4SO3"	"452.144"	"M+K+CF3COOH"	152.95602
"815043"	198.0793	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M"	0
"986022"	179.06091	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-H2O-H"	-19.01839
"69892"	131.045590666667	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M-3H"	-3.021828
"512731"	197.072024	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M-3H"	-3.021828
"889440"	65.0191573333333	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-3H"	-3.021828
"13848"	197.072024	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M-2H"	-2.014552
"454378"	296.111674	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M-2H"	-2.014552
"829746"	98.032374	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-2H"	-2.014552
"92655"	395.151324	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M-H"	-1.007276
"528211"	593.230624	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M-H"	-1.007276
"903828"	197.072024	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-H"	-1.007276
"53827"	412.177871	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M-2H+NH4"	16.019271
"496667"	610.257171	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M-2H+NH4"	16.019271
"872284"	214.098571	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-2H+NH4"	16.019271
"39090"	417.133266	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M-2H+Na"	20.974666
"477557"	615.212566	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M-2H+Na"	20.974666
"854264"	219.053966	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-2H+Na"	20.974666
"1624525"	219.053966	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Na-2H"	20.974666
"100324"	215.060363	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M-H+Cl"	33.962126
"537334"	314.100013	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M-H+Cl"	33.962126
"928784"	116.020713	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-H+Cl"	33.962126
"271963"	431.128002	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+Cl"	34.969402
"662197"	629.207302	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+Cl"	34.969402
"1275695"	233.048702	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Cl"	34.969402
"17162"	433.107206	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M-2H+K"	36.948606
"456721"	631.186506	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M-2H+K"	36.948606
"836712"	235.027906	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-2H+K"	36.948606
"1560200"	235.027906	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+K-2H"	36.948606
"946988"	243.077494	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-H+HCOOH"	44.998194
"365204"	441.156801	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+HCOOH-H"	44.998201
"348357"	455.172451	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+Hac-H"	59.013851
"1499017"	257.093151	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Hac-H"	59.013851
"961455"	265.059451	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-H+NaCOOH"	66.980151
"118751"	233.048702	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+2Cl"	69.938804
"556122"	332.088352	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+2Cl"	69.938804
"1027109"	134.009052	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2Cl"	69.938804
"1246688"	276.998185	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Br"	78.918885
"1313511"	279.054172	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Cl+HCOOH"	80.974872
"1330647"	301.036129	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Cl+NaCOOH"	102.956829
"921705"	311.064886	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M-H+CF3COOH"	112.985586
"1292213"	347.041564	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Cl+CF3COOH"	148.962264
"1371837"	163.066624	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H-2H2O"	-35.012676
"1383614"	181.0766	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H-H2O"	-17.0027
"286469"	397.165876	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+H"	1.007276
"683264"	595.245176	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+H"	1.007276
"1357428"	199.086576	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H"	1.007276
"140161"	199.086576	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+2H"	2.014552
"580453"	298.126226	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+2H"	2.014552
"1048886"	100.046926	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2H"	2.014552
"213140"	133.060142666667	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+3H"	3.021828
"650514"	199.086576	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+3H"	3.021828
"1167547"	67.0337093333333	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+3H"	3.021828
"433014"	414.192423	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+NH4"	18.033823
"795105"	612.271723	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+NH4"	18.033823
"1688154"	216.113123	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+NH4"	18.033823
"339712"	207.5998495	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+H+NH4"	19.041099
"732132"	306.6394995	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+H+NH4"	19.041099
"1483768"	108.5601995	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H+NH4"	19.041099
"401353"	419.147818	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+Na"	22.989218
"761253"	617.227118	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+Na"	22.989218
"1607165"	221.068518	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Na"	22.989218
"322666"	210.077547	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+H+Na"	23.996494
"714002"	309.117197	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+H+Na"	23.996494
"1473290"	111.037897	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H+Na"	23.996494
"1062160"	74.3610233333333	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2H+Na"	25.00377
"1266027"	231.112786	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+CH3OH+H"	33.033486
"392142"	435.121758	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+K"	38.963158
"753255"	633.201058	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+K"	38.963158
"1553727"	237.042458	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+K"	38.963158
"313944"	218.064517	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+H+K"	39.970434
"706121"	317.104167	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+H+K"	39.970434
"1459452"	119.024867	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H+K"	39.970434
"250731"	438.192426	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+ACN+H"	42.033826
"1225019"	240.113126	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+ACN+H"	42.033826
"1208900"	120.560201	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+ACN+2H"	43.041102
"203594"	441.12976	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+2Na-H"	44.97116
"642551"	639.20906	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+2Na-H"	44.97116
"1144964"	243.05046	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2Na-H"	44.97116
"185338"	221.068518	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+2Na"	45.978436
"625995"	320.108168	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+2Na"	45.978436
"1129867"	122.028868	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2Na"	45.978436
"1411562"	81.6883373333333	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H+2Na"	46.985712
"1443683"	245.092046	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H+HCOOH"	47.012746
"232282"	226.10154	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+3H2O+2H"	56.04448
"1519616"	259.14409	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+IsoProp+H"	61.06479
"421488"	229.055488	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+Na+K"	61.952376
"781024"	328.095138	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+Na+K"	61.952376
"1675532"	130.015838	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Na+K"	61.952376
"254761"	460.174368	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+ACN+Na"	64.015768
"1231479"	262.095068	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+ACN+Na"	64.015768
"1721821"	262.118593	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+NH4+HCOOH"	64.039293
"1187903"	89.0156513333333	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+3Na"	68.967654
"1659619"	267.073988	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Na+HCOOH"	68.994688
"166480"	473.07764	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+2K-H"	76.91904
"606772"	671.15694	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+2K-H"	76.91904
"1090920"	274.99834	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2K-H"	76.91904
"146643"	237.042458	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"2M+2K"	77.926316
"584379"	336.082108	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"3M+2K"	77.926316
"1070717"	138.002808	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2K"	77.926316
"1101738"	277.012892	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2K+H"	78.933592
"1349916"	277.100507	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+DMSO+H"	79.021207
"1018690"	281.139676	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2ACN+H"	83.060376
"1531349"	282.133308	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+IsoProp+Na+H"	84.054008
"994517"	141.073476	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+2ACN+2H"	84.067652
"1598861"	283.047928	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+K+HCOOH"	84.968628
"1422335"	313.079438	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+H+CF3COOH"	115.000138
"1154810"	161.586751	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+3ACN+2H"	125.094202
"1704360"	330.105985	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+NH4+CF3COOH"	132.026685
"1638919"	335.06138	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+Na+CF3COOH"	136.98208
"1571778"	351.03532	"C19433"	"4-Hydroxyazobenzene;4-(Phenylazo)phenol"	"C12H10N2O"	"198.0793"	"M+K+CF3COOH"	152.95602
"811505"	145.0528	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M"	0
"980663"	126.03441	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-H2O-H"	-19.01839
"74376"	95.6945906666667	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M-3H"	-3.021828
"515028"	144.045524	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M-3H"	-3.021828
"890642"	47.3436573333333	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-3H"	-3.021828
"13591"	144.045524	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M-2H"	-2.014552
"454244"	216.571924	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M-2H"	-2.014552
"828763"	71.519124	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-2H"	-2.014552
"93129"	289.098324	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M-H"	-1.007276
"528321"	434.151124	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M-H"	-1.007276
"905032"	144.045524	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-H"	-1.007276
"53938"	306.124871	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M-2H+NH4"	16.019271
"495684"	451.177671	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M-2H+NH4"	16.019271
"872394"	161.072071	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-2H+NH4"	16.019271
"38107"	311.080266	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M-2H+Na"	20.974666
"477667"	456.133066	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M-2H+Na"	20.974666
"853645"	166.027466	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-2H+Na"	20.974666
"1621356"	166.027466	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Na-2H"	20.974666
"99341"	162.033863	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M-H+Cl"	33.962126
"537080"	234.560263	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M-H+Cl"	33.962126
"929136"	89.507463	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-H+Cl"	33.962126
"272073"	325.075002	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+Cl"	34.969402
"661939"	470.127802	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+Cl"	34.969402
"1275804"	180.022202	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Cl"	34.969402
"17636"	327.054206	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M-2H+K"	36.948606
"456588"	472.107006	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M-2H+K"	36.948606
"836822"	182.001406	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-2H+K"	36.948606
"1557030"	182.001406	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+K-2H"	36.948606
"949285"	190.050994	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-H+HCOOH"	44.998194
"363492"	335.103801	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+HCOOH-H"	44.998201
"349561"	349.119451	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+Hac-H"	59.013851
"1499127"	204.066651	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Hac-H"	59.013851
"961565"	212.032951	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-H+NaCOOH"	66.980151
"118860"	180.022202	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+2Cl"	69.938804
"553315"	252.548602	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+2Cl"	69.938804
"1025759"	107.495802	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2Cl"	69.938804
"1246798"	223.971685	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Br"	78.918885
"1310338"	226.027672	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Cl+HCOOH"	80.974872
"1330026"	248.009629	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Cl+NaCOOH"	102.956829
"921450"	258.038386	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M-H+CF3COOH"	112.985586
"1298888"	294.015064	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Cl+CF3COOH"	148.962264
"1371583"	110.040124	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H-2H2O"	-35.012676
"1383159"	128.0501	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H-H2O"	-17.0027
"284146"	291.112876	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+H"	1.007276
"681186"	436.165676	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+H"	1.007276
"1355350"	146.060076	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H"	1.007276
"135167"	146.060076	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+2H"	2.014552
"576916"	218.586476	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+2H"	2.014552
"1046808"	73.533676	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2H"	2.014552
"214341"	97.7091426666667	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+3H"	3.021828
"648438"	146.060076	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+3H"	3.021828
"1165472"	49.3582093333333	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+3H"	3.021828
"434219"	308.139423	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+NH4"	18.033823
"790841"	453.192223	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+NH4"	18.033823
"1689358"	163.086623	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+NH4"	18.033823
"339822"	154.5733495	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+H+NH4"	19.041099
"732242"	227.0997495	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+H+NH4"	19.041099
"1484972"	82.0469495	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H+NH4"	19.041099
"400371"	313.094818	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+Na"	22.989218
"760270"	458.147618	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+Na"	22.989218
"1609461"	168.042018	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Na"	22.989218
"321683"	157.051047	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+H+Na"	23.996494
"715203"	229.577447	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+H+Na"	23.996494
"1473400"	84.524647	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H+Na"	23.996494
"1061179"	56.6855233333333	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2H+Na"	25.00377
"1267231"	178.086286	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+CH3OH+H"	33.033486
"391275"	329.068758	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+K"	38.963158
"753769"	474.121558	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+K"	38.963158
"1555253"	184.015958	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+K"	38.963158
"311861"	165.038017	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+H+K"	39.970434
"706599"	237.564417	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+H+K"	39.970434
"1459562"	92.511617	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H+K"	39.970434
"249622"	332.139426	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+ACN+H"	42.033826
"1223425"	187.086626	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+ACN+H"	42.033826
"1208402"	94.046951	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+ACN+2H"	43.041102
"202974"	335.07676	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+2Na-H"	44.97116
"643628"	480.12956	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+2Na-H"	44.97116
"1145074"	190.02396	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2Na-H"	44.97116
"185812"	168.042018	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+2Na"	45.978436
"626835"	240.568418	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+2Na"	45.978436
"1125962"	95.515618	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2Na"	45.978436
"1411672"	64.0128373333333	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H+2Na"	46.985712
"1441604"	192.065546	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H+HCOOH"	47.012746
"231662"	173.07504	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+3H2O+2H"	56.04448
"1520820"	206.11759	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+IsoProp+H"	61.06479
"421235"	176.028988	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+Na+K"	61.952376
"780769"	248.555388	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+Na+K"	61.952376
"1677833"	103.502588	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Na+K"	61.952376
"255601"	354.121368	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+ACN+Na"	64.015768
"1230496"	209.068568	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+ACN+Na"	64.015768
"1719381"	209.092093	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+NH4+HCOOH"	64.039293
"1184735"	71.3401513333333	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+3Na"	68.967654
"1655720"	214.047488	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Na+HCOOH"	68.994688
"163676"	367.02464	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+2K-H"	76.91904
"604331"	512.07744	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+2K-H"	76.91904
"1091761"	221.97184	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2K-H"	76.91904
"144566"	184.015958	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"2M+2K"	77.926316
"582788"	256.542358	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"3M+2K"	77.926316
"1070827"	111.489558	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2K"	77.926316
"1102942"	223.986392	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2K+H"	78.933592
"1337381"	224.074007	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+DMSO+H"	79.021207
"1019893"	228.113176	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2ACN+H"	83.060376
"1531459"	229.106808	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+IsoProp+Na+H"	84.054008
"993534"	114.560226	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+2ACN+2H"	84.067652
"1598971"	230.021428	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+K+HCOOH"	84.968628
"1422445"	260.052938	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+H+CF3COOH"	115.000138
"1154920"	135.073501	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+3ACN+2H"	125.094202
"1704470"	277.079485	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+NH4+CF3COOH"	132.026685
"1637936"	282.03488	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+Na+CF3COOH"	136.98208
"1571403"	298.00882	"C19434"	"8-Hydroxyquinoline;Oxyquinoline"	"C9H7NO"	"145.0528"	"M+K+CF3COOH"	152.95602
"812708"	382.1866	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M"	0
"984053"	363.16821	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-H2O-H"	-19.01839
"74486"	253.783790666667	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M-3H"	-3.021828
"516234"	381.179324	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M-3H"	-3.021828
"893306"	126.388257333333	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-3H"	-3.021828
"11515"	381.179324	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M-2H"	-2.014552
"453992"	572.272624	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M-2H"	-2.014552
"829970"	190.086024	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-2H"	-2.014552
"92879"	763.365924	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M-H"	-1.007276
"527335"	1145.552524	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M-H"	-1.007276
"904049"	381.179324	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-H"	-1.007276
"56236"	780.392471	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M-2H+NH4"	16.019271
"495794"	1162.579071	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M-2H+NH4"	16.019271
"871410"	398.205871	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-2H+NH4"	16.019271
"37125"	785.347866	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M-2H+Na"	20.974666
"476685"	1167.534466	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M-2H+Na"	20.974666
"856669"	403.161266	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-2H+Na"	20.974666
"1622925"	403.161266	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Na-2H"	20.974666
"98723"	399.167663	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M-H+Cl"	33.962126
"536829"	590.260963	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M-H+Cl"	33.962126
"930344"	208.074363	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-H+Cl"	33.962126
"274371"	799.342602	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+Cl"	34.969402
"667888"	1181.529202	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+Cl"	34.969402
"1275916"	417.156002	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Cl"	34.969402
"28316"	801.321806	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M-2H+K"	36.948606
"456700"	1183.508406	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M-2H+K"	36.948606
"836933"	419.135206	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-2H+K"	36.948606
"1563699"	419.135206	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+K-2H"	36.948606
"946115"	427.184794	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-H+HCOOH"	44.998194
"364331"	809.371401	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+HCOOH-H"	44.998201
"352591"	823.387051	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+Hac-H"	59.013851
"1503612"	441.200451	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Hac-H"	59.013851
"960581"	449.166751	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-H+NaCOOH"	66.980151
"121157"	417.156002	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+2Cl"	69.938804
"556706"	608.249302	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+2Cl"	69.938804
"1032798"	226.062702	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2Cl"	69.938804
"1252742"	461.105485	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Br"	78.918885
"1314824"	463.161472	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Cl+HCOOH"	80.974872
"1330866"	485.143429	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Cl+NaCOOH"	102.956829
"921193"	495.172186	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M-H+CF3COOH"	112.985586
"1298998"	531.148864	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Cl+CF3COOH"	148.962264
"1367435"	347.173924	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H-2H2O"	-35.012676
"1384079"	365.1839	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H-H2O"	-17.0027
"285594"	765.380476	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+H"	1.007276
"680204"	1147.567076	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+H"	1.007276
"1358741"	383.193876	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H"	1.007276
"135640"	383.193876	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+2H"	2.014552
"577390"	574.287176	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+2H"	2.014552
"1048011"	192.100576	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2H"	2.014552
"216275"	255.798342666667	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+3H"	3.021828
"648548"	383.193876	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+3H"	3.021828
"1164487"	128.402809333333	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+3H"	3.021828
"435420"	782.407023	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+NH4"	18.033823
"797511"	1164.593623	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+NH4"	18.033823
"1690561"	400.220423	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+NH4"	18.033823
"336650"	391.7071495	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+H+NH4"	19.041099
"727977"	582.8004495	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+H+NH4"	19.041099
"1482892"	200.6138495	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H+NH4"	19.041099
"399385"	787.362418	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+Na"	22.989218
"758193"	1169.549018	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+Na"	22.989218
"1608478"	405.175818	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Na"	22.989218
"321793"	394.184847	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+H+Na"	23.996494
"715315"	585.278147	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+H+Na"	23.996494
"1472418"	203.091547	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H+Na"	23.996494
"1062382"	135.730123333333	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2H+Na"	25.00377
"1266248"	415.220086	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+CH3OH+H"	33.033486
"391386"	803.336358	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+K"	38.963158
"753962"	1185.522958	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+K"	38.963158
"1555377"	421.149758	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+K"	38.963158
"307231"	402.171817	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+H+K"	39.970434
"706216"	593.265117	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+H+K"	39.970434
"1458579"	211.078517	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H+K"	39.970434
"249366"	806.407026	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+ACN+H"	42.033826
"1221349"	424.220426	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+ACN+H"	42.033826
"1207784"	212.613851	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+ACN+2H"	43.041102
"201989"	809.34436	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+2Na-H"	44.97116
"640579"	1191.53096	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+2Na-H"	44.97116
"1145545"	427.15776	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2Na-H"	44.97116
"186531"	405.175818	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+2Na"	45.978436
"627677"	596.269118	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+2Na"	45.978436
"1129355"	214.082518	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2Na"	45.978436
"1411782"	143.057437333333	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H+2Na"	46.985712
"1443901"	429.199346	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H+HCOOH"	47.012746
"231045"	410.20884	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+3H2O+2H"	56.04448
"1520566"	443.25139	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+IsoProp+H"	61.06479
"420980"	413.162788	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+Na+K"	61.952376
"782340"	604.256088	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+Na+K"	61.952376
"1676480"	222.069488	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Na+K"	61.952376
"257898"	828.388968	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+ACN+Na"	64.015768
"1230607"	446.202368	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+ACN+Na"	64.015768
"1720585"	446.225893	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+NH4+HCOOH"	64.039293
"1185939"	150.384751333333	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+3Na"	68.967654
"1658018"	451.181288	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Na+HCOOH"	68.994688
"170713"	841.29224	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+2K-H"	76.91904
"607721"	1223.47884	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+2K-H"	76.91904
"1095880"	459.10564	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2K-H"	76.91904
"149049"	421.149758	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"2M+2K"	77.926316
"584235"	612.243058	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"3M+2K"	77.926316
"1073123"	230.056458	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2K"	77.926316
"1105238"	461.120192	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2K+H"	78.933592
"1337249"	461.207807	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+DMSO+H"	79.021207
"1017817"	465.246976	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2ACN+H"	83.060376
"1533756"	466.240608	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+IsoProp+Na+H"	84.054008
"995831"	233.127126	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+2ACN+2H"	84.067652
"1600175"	467.155228	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+K+HCOOH"	84.968628
"1425835"	497.186738	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+H+CF3COOH"	115.000138
"1159404"	253.640401	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+3ACN+2H"	125.094202
"1705675"	514.213285	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+NH4+CF3COOH"	132.026685
"1640234"	519.16868	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+Na+CF3COOH"	136.98208
"1571877"	535.14262	"C19435"	"Hydroxysenkirkine"	"C19H28NO7"	"382.1866"	"M+K+CF3COOH"	152.95602
"807351"	398.3396	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M"	0
"988906"	379.32121	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-H2O-H"	-19.01839
"66943"	264.552457333333	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M-3H"	-3.021828
"510877"	397.332324	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M-3H"	-3.021828
"887585"	131.772590666667	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-3H"	-3.021828
"10532"	397.332324	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M-2H"	-2.014552
"452278"	596.502124	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M-2H"	-2.014552
"828986"	198.162524	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-2H"	-2.014552
"90078"	795.671924	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M-H"	-1.007276
"527451"	1194.011524	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M-H"	-1.007276
"904159"	397.332324	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-H"	-1.007276
"55252"	812.698471	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M-2H+NH4"	16.019271
"489349"	1211.038071	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M-2H+NH4"	16.019271
"870431"	414.358871	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-2H+NH4"	16.019271
"40517"	817.653866	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M-2H+Na"	20.974666
"474242"	1215.993466	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M-2H+Na"	20.974666
"850951"	419.314266	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-2H+Na"	20.974666
"1619029"	419.314266	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Na-2H"	20.974666
"96647"	415.320663	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M-H+Cl"	33.962126
"535847"	614.490463	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M-H+Cl"	33.962126
"931550"	216.150863	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-H+Cl"	33.962126
"271202"	831.648602	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+Cl"	34.969402
"662533"	1229.988202	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+Cl"	34.969402
"1274939"	433.309002	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Cl"	34.969402
"18587"	833.627806	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M-2H+K"	36.948606
"462521"	1231.967406	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M-2H+K"	36.948606
"837043"	435.288206	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-2H+K"	36.948606
"1558344"	435.288206	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+K-2H"	36.948606
"951697"	443.337794	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-H+HCOOH"	44.998194
"365538"	841.677401	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+HCOOH-H"	44.998201
"346989"	855.693051	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+Hac-H"	59.013851
"1505913"	457.353451	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Hac-H"	59.013851
"971266"	465.319751	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-H+NaCOOH"	66.980151
"114704"	433.309002	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+2Cl"	69.938804
"559732"	632.478802	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+2Cl"	69.938804
"1028532"	234.139202	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2Cl"	69.938804
"1254673"	477.258485	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Br"	78.918885
"1316027"	479.314472	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Cl+HCOOH"	80.974872
"1333162"	501.296429	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Cl+NaCOOH"	102.956829
"916927"	511.325186	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M-H+CF3COOH"	112.985586
"1295831"	547.301864	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Cl+CF3COOH"	148.962264
"1371803"	363.326924	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H-2H2O"	-35.012676
"1384920"	381.3369	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H-H2O"	-17.0027
"285705"	797.686476	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+H"	1.007276
"678126"	1196.026076	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+H"	1.007276
"1363228"	399.346876	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H"	1.007276
"134659"	399.346876	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+2H"	2.014552
"571303"	598.516676	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+2H"	2.014552
"1042288"	200.177076	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2H"	2.014552
"219555"	266.567009333333	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+3H"	3.021828
"655230"	399.346876	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+3H"	3.021828
"1175175"	133.787142666667	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+3H"	3.021828
"434441"	814.713023	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+NH4"	18.033823
"796529"	1213.052623	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+NH4"	18.033823
"1689580"	416.373423	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+NH4"	18.033823
"338949"	407.8601495	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+H+NH4"	19.041099
"730276"	607.0299495	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+H+NH4"	19.041099
"1485191"	208.6903495	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H+NH4"	19.041099
"399492"	819.668418	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+Na"	22.989218
"757574"	1218.008018	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+Na"	22.989218
"1609688"	421.328818	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Na"	22.989218
"325193"	410.337847	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+H+Na"	23.996494
"720895"	609.507647	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+H+Na"	23.996494
"1470340"	211.168047	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H+Na"	23.996494
"1063587"	141.114456666667	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2H+Na"	25.00377
"1266358"	431.373086	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+CH3OH+H"	33.033486
"388214"	835.642358	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+K"	38.963158
"752491"	1233.981958	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+K"	38.963158
"1554177"	437.302758	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+K"	38.963158
"311717"	418.324817	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+H+K"	39.970434
"706569"	617.494617	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+H+K"	39.970434
"1459780"	219.155017	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H+K"	39.970434
"248385"	838.713026	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+ACN+H"	42.033826
"1224615"	440.373426	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+ACN+H"	42.033826
"1207162"	220.690351	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+ACN+2H"	43.041102
"198212"	841.65036	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+2Na-H"	44.97116
"641780"	1239.98996	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+2Na-H"	44.97116
"1143832"	443.31076	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2Na-H"	44.97116
"183841"	421.328818	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+2Na"	45.978436
"624133"	620.498618	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+2Na"	45.978436
"1129098"	222.159018	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2Na"	45.978436
"1412257"	148.441770666667	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H+2Na"	46.985712
"1441460"	445.352346	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H+HCOOH"	47.012746
"230427"	426.36184	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+3H2O+2H"	56.04448
"1518853"	459.40439	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+IsoProp+H"	61.06479
"422189"	429.315788	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+Na+K"	61.952376
"783908"	628.485588	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+Na+K"	61.952376
"1678050"	230.145988	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Na+K"	61.952376
"263112"	860.694968	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+ACN+Na"	64.015768
"1237279"	462.355368	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+ACN+Na"	64.015768
"1723976"	462.378893	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+NH4+HCOOH"	64.039293
"1184957"	155.769084666667	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+3Na"	68.967654
"1660317"	467.334288	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Na+HCOOH"	68.994688
"166085"	873.59824	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+2K-H"	76.91904
"607832"	1271.93784	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+2K-H"	76.91904
"1091250"	475.25864	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2K-H"	76.91904
"146241"	437.302758	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"2M+2K"	77.926316
"583252"	636.472558	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"3M+2K"	77.926316
"1077612"	238.132958	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2K"	77.926316
"1107544"	477.273192	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2K+H"	78.933592
"1345026"	477.360807	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+DMSO+H"	79.021207
"1019022"	481.399976	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2ACN+H"	83.060376
"1532775"	482.393608	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+IsoProp+Na+H"	84.054008
"998129"	241.203626	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+2ACN+2H"	84.067652
"1592632"	483.308228	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+K+HCOOH"	84.968628
"1420481"	513.339738	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+H+CF3COOH"	115.000138
"1157329"	261.716901	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+3ACN+2H"	125.094202
"1704695"	530.366285	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+NH4+CF3COOH"	132.026685
"1635975"	535.32168	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+Na+CF3COOH"	136.98208
"1573814"	551.29562	"C19438"	"Lauroyl peroxide;Dilauroyl peroxide"	"C24H46O4"	"398.3396"	"M+K+CF3COOH"	152.95602
"804181"	793.13	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M"	0
"974958"	774.11161	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-H2O-H"	-19.01839
"70333"	527.746057333333	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M-3H"	-3.021828
"504061"	792.122724	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M-3H"	-3.021828
"885508"	263.369390666667	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-3H"	-3.021828
"9547"	792.122724	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M-2H"	-2.014552
"452388"	1188.687724	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M-2H"	-2.014552
"826910"	395.557724	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-2H"	-2.014552
"85810"	1585.252724	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M-H"	-1.007276
"526467"	2378.382724	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M-H"	-1.007276
"899895"	792.122724	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-H"	-1.007276
"54268"	1602.279271	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M-2H+NH4"	16.019271
"489458"	2395.409271	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M-2H+NH4"	16.019271
"867259"	809.149271	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-2H+NH4"	16.019271
"33336"	1607.234666	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M-2H+Na"	20.974666
"472528"	2400.364666	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M-2H+Na"	20.974666
"848951"	814.104666	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-2H+Na"	20.974666
"1618591"	814.104666	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Na-2H"	20.974666
"94416"	810.111063	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M-H+Cl"	33.962126
"535957"	1206.676063	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M-H+Cl"	33.962126
"927326"	413.546063	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-H+Cl"	33.962126
"268396"	1621.229402	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+Cl"	34.969402
"660698"	2414.359402	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+Cl"	34.969402
"1278329"	828.099402	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Cl"	34.969402
"18696"	1623.208606	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M-2H+K"	36.948606
"459351"	2416.338606	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M-2H+K"	36.948606
"837153"	830.078606	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-2H+K"	36.948606
"1559547"	830.078606	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+K-2H"	36.948606
"947432"	838.128194	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-H+HCOOH"	44.998194
"364188"	1631.258201	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+HCOOH-H"	44.998201
"348068"	1645.273851	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+Hac-H"	59.013851
"1500554"	852.143851	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Hac-H"	59.013851
"965909"	860.110151	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-H+NaCOOH"	66.980151
"112991"	828.099402	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+2Cl"	69.938804
"556562"	1224.664402	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+2Cl"	69.938804
"1028642"	431.534402	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2Cl"	69.938804
"1248222"	872.048885	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Br"	78.918885
"1308482"	874.104872	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Cl+HCOOH"	80.974872
"1333272"	896.086829	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Cl+NaCOOH"	102.956829
"915944"	906.115586	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M-H+CF3COOH"	112.985586
"1295942"	942.092264	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Cl+CF3COOH"	148.962264
"1371913"	758.117324	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H-2H2O"	-35.012676
"1383209"	776.1273	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H-H2O"	-17.0027
"284722"	1587.267276	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+H"	1.007276
"677144"	2380.397276	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+H"	1.007276
"1363338"	794.137276	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H"	1.007276
"135862"	794.137276	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+2H"	2.014552
"571413"	1190.702276	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+2H"	2.014552
"1042398"	397.572276	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2H"	2.014552
"218814"	529.760609333333	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+3H"	3.021828
"659596"	794.137276	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+3H"	3.021828
"1176381"	265.383942666667	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+3H"	3.021828
"438440"	1604.293823	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+NH4"	18.033823
"795546"	2397.423823	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+NH4"	18.033823
"1690783"	811.163823	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+NH4"	18.033823
"339060"	802.6505495	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+H+NH4"	19.041099
"728200"	1199.2155495	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+H+NH4"	19.041099
"1485301"	406.0855495	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H+NH4"	19.041099
"398509"	1609.249218	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+Na"	22.989218
"757684"	2402.379218	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+Na"	22.989218
"1609795"	816.119218	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Na"	22.989218
"324208"	805.128247	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+H+Na"	23.996494
"716629"	1201.693247	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+H+Na"	23.996494
"1470450"	408.563247	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H+Na"	23.996494
"1061508"	272.711256666667	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2H+Na"	25.00377
"1264283"	826.163486	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+CH3OH+H"	33.033486
"386137"	1625.223158	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+K"	38.963158
"748225"	2418.353158	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+K"	38.963158
"1552464"	832.093158	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+K"	38.963158
"312191"	813.115217	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+H+K"	39.970434
"703885"	1209.680217	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+H+K"	39.970434
"1456975"	416.550217	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H+K"	39.970434
"244484"	1628.293826	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+ACN+H"	42.033826
"1221567"	835.163826	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+ACN+H"	42.033826
"1205448"	418.085551	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+ACN+2H"	43.041102
"198322"	1631.23116	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+2Na-H"	44.97116
"641889"	2424.36116	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+2Na-H"	44.97116
"1142482"	838.10116	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2Na-H"	44.97116
"184679"	816.119218	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+2Na"	45.978436
"622421"	1212.684218	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+2Na"	45.978436
"1126658"	419.554218	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2Na"	45.978436
"1408722"	280.038570666667	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H+2Na"	46.985712
"1440839"	840.142746	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H+HCOOH"	47.012746
"230901"	821.15224	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+3H2O+2H"	56.04448
"1520785"	854.19479	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+IsoProp+H"	61.06479
"417551"	824.106188	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+Na+K"	61.952376
"780734"	1220.671188	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+Na+K"	61.952376
"1673784"	427.541188	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Na+K"	61.952376
"258117"	1650.275768	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+ACN+Na"	64.015768
"1238482"	857.145768	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+ACN+Na"	64.015768
"1719712"	857.169293	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+NH4+HCOOH"	64.039293
"1181786"	287.365884666667	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+3Na"	68.967654
"1656053"	862.124688	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Na+HCOOH"	68.994688
"161820"	1663.17904	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+2K-H"	76.91904
"602472"	2456.30904	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+2K-H"	76.91904
"1089169"	870.04904	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2K-H"	76.91904
"142705"	832.093158	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"2M+2K"	77.926316
"581577"	1228.658158	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"3M+2K"	77.926316
"1078815"	435.528158	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2K"	77.926316
"1105467"	872.063592	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2K+H"	78.933592
"1345136"	872.151207	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+DMSO+H"	79.021207
"1014759"	876.190376	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2ACN+H"	83.060376
"1528512"	877.184008	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+IsoProp+Na+H"	84.054008
"998239"	438.598826	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+2ACN+2H"	84.067652
"1589463"	878.098628	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+K+HCOOH"	84.968628
"1420591"	908.130138	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+H+CF3COOH"	115.000138
"1157439"	459.112101	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+3ACN+2H"	125.094202
"1704805"	925.156685	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+NH4+CF3COOH"	132.026685
"1636085"	930.11208	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+Na+CF3COOH"	136.98208
"1573924"	946.08602	"C19439"	"Light green SF;CI Acid green 5"	"C37H35N2O9S32Na"	"793.13"	"M+K+CF3COOH"	152.95602
"804291"	72.0211	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M"	0
"976000"	53.00271	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-H2O-H"	-19.01839
"68252"	47.0067906666667	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M-3H"	-3.021828
"507817"	71.013824	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M-3H"	-3.021828
"889991"	22.9997573333333	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-3H"	-3.021828
"9657"	71.013824	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M-2H"	-2.014552
"453470"	107.024374	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M-2H"	-2.014552
"828113"	35.003274	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-2H"	-2.014552
"84827"	143.034924	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M-H"	-1.007276
"526577"	215.056024	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M-H"	-1.007276
"897210"	71.013824	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-H"	-1.007276
"52191"	160.061471	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M-2H+NH4"	16.019271
"489568"	232.082571	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M-2H+NH4"	16.019271
"866639"	88.040371	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-2H+NH4"	16.019271
"34539"	165.016866	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M-2H+Na"	20.974666
"473972"	237.037966	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M-2H+Na"	20.974666
"849183"	92.995766	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-2H+Na"	20.974666
"1618883"	92.995766	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Na-2H"	20.974666
"95162"	89.002163	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M-H+Cl"	33.962126
"535334"	125.012713	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M-H+Cl"	33.962126
"928124"	52.991613	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-H+Cl"	33.962126
"269963"	179.011602	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+Cl"	34.969402
"662753"	251.032702	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+Cl"	34.969402
"1278439"	106.990502	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Cl"	34.969402
"20993"	180.990806	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M-2H+K"	36.948606
"462741"	253.011906	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M-2H+K"	36.948606
"837263"	108.969706	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-2H+K"	36.948606
"1560021"	108.969706	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+K-2H"	36.948606
"944990"	117.019294	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-H+HCOOH"	44.998194
"365023"	189.040401	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+HCOOH-H"	44.998201
"350001"	203.056051	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+Hac-H"	59.013851
"1498112"	131.034951	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Hac-H"	59.013851
"963831"	139.001251	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-H+NaCOOH"	66.980151
"113100"	106.990502	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+2Cl"	69.938804
"554120"	143.001052	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+2Cl"	69.938804
"1025836"	70.979952	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2Cl"	69.938804
"1249424"	150.939985	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Br"	78.918885
"1307498"	152.995972	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Cl+HCOOH"	80.974872
"1334475"	174.977929	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Cl+NaCOOH"	102.956829
"916053"	185.006686	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M-H+CF3COOH"	112.985586
"1297145"	220.983364	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Cl+CF3COOH"	148.962264
"1369836"	37.008424	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H-2H2O"	-35.012676
"1385142"	55.0184	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H-H2O"	-17.0027
"284102"	145.049476	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+H"	1.007276
"677253"	217.070576	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+H"	1.007276
"1359070"	73.028376	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H"	1.007276
"130865"	73.028376	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+2H"	2.014552
"571523"	109.038926	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+2H"	2.014552
"1041414"	37.017826	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2H"	2.014552
"219166"	49.0213426666667	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+3H"	3.021828
"659747"	73.028376	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+3H"	3.021828
"1177344"	25.0143093333333	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+3H"	3.021828
"437578"	162.076023	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+NH4"	18.033823
"797843"	234.097123	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+NH4"	18.033823
"1690894"	90.054923	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+NH4"	18.033823
"340263"	81.5416495	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+H+NH4"	19.041099
"731590"	117.5521995	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+H+NH4"	19.041099
"1487597"	45.5310995	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H+NH4"	19.041099
"398621"	167.031418	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+Na"	22.989218
"760711"	239.052518	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+Na"	22.989218
"1608812"	95.010318	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Na"	22.989218
"324318"	84.019347	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+H+Na"	23.996494
"715646"	120.029897	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+H+Na"	23.996494
"1468373"	48.008797	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H+Na"	23.996494
"1062711"	32.3416233333333	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2H+Na"	25.00377
"1265486"	105.054586	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+CH3OH+H"	33.033486
"388433"	183.005358	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+K"	38.963158
"749428"	255.026458	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+K"	38.963158
"1548200"	110.984258	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+K"	38.963158
"311936"	92.006317	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+H+K"	39.970434
"705087"	128.016867	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+H+K"	39.970434
"1459271"	55.995767	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H+K"	39.970434
"247873"	186.076026	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+ACN+H"	42.033826
"1221676"	114.054926	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+ACN+H"	42.033826
"1206651"	57.531101	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+ACN+2H"	43.041102
"198431"	189.01336	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+2Na-H"	44.97116
"640907"	261.03446	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+2Na-H"	44.97116
"1143321"	116.99226	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2Na-H"	44.97116
"182604"	95.010318	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+2Na"	45.978436
"624353"	131.020868	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+2Na"	45.978436
"1126404"	58.999768	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2Na"	45.978436
"1408832"	39.6689373333333	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H+2Na"	46.985712
"1442773"	119.033846	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H+HCOOH"	47.012746
"231011"	100.04334	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+3H2O+2H"	56.04448
"1521260"	133.08589	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+IsoProp+H"	61.06479
"420941"	102.997288	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+Na+K"	61.952376
"779751"	139.007838	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+Na+K"	61.952376
"1673894"	66.986738	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Na+K"	61.952376
"254945"	208.057968	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+ACN+Na"	64.015768
"1233125"	136.036868	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+ACN+Na"	64.015768
"1719822"	136.060393	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+NH4+HCOOH"	64.039293
"1182988"	46.9962513333333	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+3Na"	68.967654
"1655068"	141.015788	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Na+HCOOH"	68.994688
"160837"	220.96124	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+2K-H"	76.91904
"604769"	292.98234	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+2K-H"	76.91904
"1089279"	148.94014	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2K-H"	76.91904
"142815"	110.984258	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"2M+2K"	77.926316
"581647"	146.994808	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"3M+2K"	77.926316
"1078925"	74.973708	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2K"	77.926316
"1108857"	150.954692	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2K+H"	78.933592
"1345242"	151.042307	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+DMSO+H"	79.021207
"1009402"	155.081476	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2ACN+H"	83.060376
"1531902"	156.075108	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+IsoProp+Na+H"	84.054008
"995069"	78.044376	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+2ACN+2H"	84.067652
"1590666"	156.989728	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+K+HCOOH"	84.968628
"1418514"	187.021238	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+H+CF3COOH"	115.000138
"1152082"	98.557651	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+3ACN+2H"	125.094202
"1704915"	204.047785	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+NH4+CF3COOH"	132.026685
"1636195"	209.00318	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+Na+CF3COOH"	136.98208
"1574034"	224.97712	"C19440"	"Malonaldehyde;Malondialdehyde"	"C3H4O2"	"72.0211"	"M+K+CF3COOH"	152.95602
"805494"	376.049	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M"	0
"983401"	357.03061	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-H2O-H"	-19.01839
"73831"	249.692057333333	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M-3H"	-3.021828
"514488"	375.041724	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M-3H"	-3.021828
"891196"	124.342390666667	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-3H"	-3.021828
"10863"	375.041724	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M-2H"	-2.014552
"453582"	563.066224	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M-2H"	-2.014552
"829317"	187.017224	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-2H"	-2.014552
"87125"	751.090724	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M-H"	-1.007276
"528874"	1127.139724	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M-H"	-1.007276
"898170"	375.041724	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-H"	-1.007276
"56676"	768.117271	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M-2H+NH4"	16.019271
"492958"	1144.166271	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M-2H+NH4"	16.019271
"867480"	392.068271	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-2H+NH4"	16.019271
"36472"	773.072666	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M-2H+Na"	20.974666
"473721"	1149.121666	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M-2H+Na"	20.974666
"852007"	397.023666	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-2H+Na"	20.974666
"1619478"	397.023666	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Na-2H"	20.974666
"96607"	393.030063	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M-H+Cl"	33.962126
"535201"	581.054563	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M-H+Cl"	33.962126
"928721"	205.005563	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-H+Cl"	33.962126
"270802"	787.067402	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+Cl"	34.969402
"670520"	1163.116402	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+Cl"	34.969402
"1275269"	411.018402	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Cl"	34.969402
"25477"	789.046606	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M-2H+K"	36.948606
"462852"	1165.095606	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M-2H+K"	36.948606
"840656"	412.997606	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-2H+K"	36.948606
"1560863"	412.997606	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+K-2H"	36.948606
"952026"	421.047194	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-H+HCOOH"	44.998194
"365868"	797.096201	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+HCOOH-H"	44.998201
"348655"	811.111851	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+Hac-H"	59.013851
"1500775"	435.062851	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Hac-H"	59.013851
"963941"	443.029151	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-H+NaCOOH"	66.980151
"112606"	411.018402	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+2Cl"	69.938804
"560064"	599.042902	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+2Cl"	69.938804
"1032143"	222.993902	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2Cl"	69.938804
"1251722"	454.967885	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Br"	78.918885
"1313077"	457.023872	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Cl+HCOOH"	80.974872
"1334221"	479.005829	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Cl+NaCOOH"	102.956829
"921632"	489.034586	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M-H+CF3COOH"	112.985586
"1301624"	525.011264	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Cl+CF3COOH"	148.962264
"1375408"	341.036324	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H-2H2O"	-35.012676
"1388534"	359.0463	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H-H2O"	-17.0027
"289315"	753.105276	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+H"	1.007276
"685746"	1129.154276	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+H"	1.007276
"1354804"	377.056276	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H"	1.007276
"128787"	377.056276	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+2H"	2.014552
"573821"	565.080776	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+2H"	2.014552
"1042619"	189.031776	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2H"	2.014552
"218912"	251.706609333333	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+3H"	3.021828
"658476"	377.056276	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+3H"	3.021828
"1176965"	126.356942666667	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+3H"	3.021828
"438052"	770.131823	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+NH4"	18.033823
"796860"	1146.180823	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+NH4"	18.033823
"1690999"	394.082823	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+NH4"	18.033823
"340373"	385.5695495	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+H+NH4"	19.041099
"731700"	573.5940495	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+H+NH4"	19.041099
"1487707"	197.5450495	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H+NH4"	19.041099
"400919"	775.087218	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+Na"	22.989218
"760821"	1151.136218	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+Na"	22.989218
"1610017"	399.038218	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Na"	22.989218
"325521"	388.047247	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+H+Na"	23.996494
"717942"	576.071747	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+H+Na"	23.996494
"1470670"	200.022747	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H+Na"	23.996494
"1065008"	133.684256666667	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2H+Na"	25.00377
"1267782"	409.082486	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+CH3OH+H"	33.033486
"390730"	791.061158	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+K"	38.963158
"748445"	1167.110158	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+K"	38.963158
"1550497"	415.012158	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+K"	38.963158
"312046"	396.034217	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+H+K"	39.970434
"706291"	584.058717	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+H+K"	39.970434
"1461268"	208.009717	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H+K"	39.970434
"250170"	794.131826	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+ACN+H"	42.033826
"1224945"	418.082826	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+ACN+H"	42.033826
"1206763"	209.545051	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+ACN+2H"	43.041102
"199638"	797.06916	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+2Na-H"	44.97116
"639196"	1173.11816	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+2Na-H"	44.97116
"1144162"	421.02016	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2Na-H"	44.97116
"183807"	399.038218	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+2Na"	45.978436
"623370"	587.062718	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+2Na"	45.978436
"1129064"	211.013718	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2Na"	45.978436
"1410036"	141.011570666667	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H+2Na"	46.985712
"1437051"	423.061746	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H+HCOOH"	47.012746
"228933"	404.07124	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+3H2O+2H"	56.04448
"1519182"	437.11379	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+IsoProp+H"	61.06479
"419962"	407.025188	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+Na+K"	61.952376
"779861"	595.049688	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+Na+K"	61.952376
"1674005"	219.000688	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Na+K"	61.952376
"258334"	816.113768	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+ACN+Na"	64.015768
"1233230"	440.064768	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+ACN+Na"	64.015768
"1717743"	440.088293	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+NH4+HCOOH"	64.039293
"1183097"	148.338884666667	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+3Na"	68.967654
"1657364"	445.043688	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Na+HCOOH"	68.994688
"165319"	829.01704	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+2K-H"	76.91904
"610347"	1205.06604	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+2K-H"	76.91904
"1088297"	452.96804	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2K-H"	76.91904
"147299"	415.012158	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"2M+2K"	77.926316
"585766"	603.036658	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"3M+2K"	77.926316
"1070159"	226.987658	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2K"	77.926316
"1114196"	454.982592	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2K+H"	78.933592
"1348633"	455.070207	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+DMSO+H"	79.021207
"1007325"	459.109376	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2ACN+H"	83.060376
"1532012"	460.103008	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+IsoProp+Na+H"	84.054008
"995181"	230.058326	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+2ACN+2H"	84.067652
"1589687"	461.017628	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+K+HCOOH"	84.968628
"1414858"	491.049138	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+H+CF3COOH"	115.000138
"1151100"	250.571601	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+3ACN+2H"	125.094202
"1702837"	508.075685	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+NH4+CF3COOH"	132.026685
"1634478"	513.03108	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+Na+CF3COOH"	136.98208
"1571317"	529.00502	"C19441"	"Mannomustine dihydrochloride;Degranol"	"C10H22Cl2N2O42HCl"	"376.049"	"M+K+CF3COOH"	152.95602
"813259"	304.0745	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M"	0
"989576"	285.05611	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H2O-H"	-19.01839
"78263"	201.709057333333	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-3H"	-3.021828
"513504"	303.067224	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-3H"	-3.021828
"891305"	100.350890666667	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-3H"	-3.021828
"10974"	303.067224	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H"	-2.014552
"453814"	455.104474	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H"	-2.014552
"831494"	151.029974	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H"	-2.014552
"91610"	607.141724	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-H"	-1.007276
"530078"	911.216224	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-H"	-1.007276
"904599"	303.067224	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H"	-1.007276
"60067"	624.168271	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+NH4"	16.019271
"493068"	928.242771	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+NH4"	16.019271
"869777"	320.093771	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+NH4"	16.019271
"38768"	629.123666	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+Na"	20.974666
"477233"	933.198166	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+Na"	20.974666
"852117"	325.049166	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+Na"	20.974666
"1621290"	325.049166	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na-2H"	20.974666
"98544"	321.055563	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-H+Cl"	33.962126
"536286"	473.092813	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-H+Cl"	33.962126
"931991"	169.018313	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+Cl"	33.962126
"270548"	643.118402	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Cl"	34.969402
"671723"	947.192902	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+Cl"	34.969402
"1281939"	339.043902	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl"	34.969402
"25587"	645.097606	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M-2H+K"	36.948606
"462962"	949.172106	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M-2H+K"	36.948606
"839673"	341.023106	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-2H+K"	36.948606
"1567533"	341.023106	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K-2H"	36.948606
"947761"	349.072694	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+HCOOH"	44.998194
"368165"	653.147201	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+HCOOH-H"	44.998201
"353140"	667.162851	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Hac-H"	59.013851
"1500885"	363.088351	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Hac-H"	59.013851
"968426"	371.054651	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+NaCOOH"	66.980151
"118428"	339.043902	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Cl"	69.938804
"561997"	491.081152	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Cl"	69.938804
"1034441"	187.006652	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2Cl"	69.938804
"1254020"	382.993385	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Br"	78.918885
"1316106"	385.049372	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+HCOOH"	80.974872
"1333239"	407.031329	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+NaCOOH"	102.956829
"924658"	417.060086	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M-H+CF3COOH"	112.985586
"1303192"	453.036764	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Cl+CF3COOH"	148.962264
"1379893"	269.061824	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H-2H2O"	-35.012676
"1391924"	287.0718	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H-H2O"	-17.0027
"289425"	609.156276	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H"	1.007276
"685492"	913.230776	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H"	1.007276
"1360016"	305.081776	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H"	1.007276
"131083"	305.081776	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2H"	2.014552
"573932"	457.119026	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2H"	2.014552
"1044916"	153.044526	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2H"	2.014552
"219022"	203.723609333333	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+3H"	3.021828
"658585"	305.081776	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+3H"	3.021828
"1176713"	102.365442666667	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+3H"	3.021828
"433788"	626.182823	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+NH4"	18.033823
"795875"	930.257323	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+NH4"	18.033823
"1690016"	322.108323	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4"	18.033823
"338297"	313.5950495	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+NH4"	19.041099
"731810"	465.6322995	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+NH4"	19.041099
"1490004"	161.5577995	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+NH4"	19.041099
"403217"	631.138218	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Na"	22.989218
"762024"	935.212718	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+Na"	22.989218
"1610126"	327.063718	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na"	22.989218
"323445"	316.072747	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+Na"	23.996494
"720241"	468.109997	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+Na"	23.996494
"1468594"	164.035497	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+Na"	23.996494
"1061840"	109.692756666667	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2H+Na"	25.00377
"1267891"	337.107986	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+CH3OH+H"	33.033486
"388653"	647.112158	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+K"	38.963158
"750741"	951.186658	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+K"	38.963158
"1547327"	343.037658	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K"	38.963158
"311063"	324.059717	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+H+K"	39.970434
"703485"	476.096967	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+H+K"	39.970434
"1461291"	172.022467	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+K"	39.970434
"251330"	650.182826	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+ACN+H"	42.033826
"1224814"	346.108326	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+H"	42.033826
"1209185"	173.557801	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+2H"	43.041102
"202302"	653.12016	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Na-H"	44.97116
"642954"	957.19466	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Na-H"	44.97116
"1145733"	349.04566	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2Na-H"	44.97116
"186107"	327.063718	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2Na"	45.978436
"626762"	479.100968	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2Na"	45.978436
"1128808"	175.026468	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2Na"	45.978436
"1412699"	117.020070666667	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+2Na"	46.985712
"1441534"	351.087246	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+HCOOH"	47.012746
"232323"	332.09674	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+3H2O+2H"	56.04448
"1522206"	365.13929	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+IsoProp+H"	61.06479
"422624"	335.050688	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+Na+K"	61.952376
"784591"	487.087938	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+Na+K"	61.952376
"1676303"	183.013438	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+K"	61.952376
"260634"	672.164768	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+ACN+Na"	64.015768
"1234436"	368.090268	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+ACN+Na"	64.015768
"1723322"	368.113793	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4+HCOOH"	64.039293
"1190863"	124.347384666667	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+3Na"	68.967654
"1658570"	373.069188	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+HCOOH"	68.994688
"170897"	685.06804	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2K-H"	76.91904
"608270"	989.14254	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2K-H"	76.91904
"1092784"	380.99354	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2K-H"	76.91904
"147411"	343.037658	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"2M+2K"	77.926316
"585877"	495.074908	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"3M+2K"	77.926316
"1071851"	191.000408	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2K"	77.926316
"1102879"	383.008092	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2K+H"	78.933592
"1345462"	383.095707	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+DMSO+H"	79.021207
"1012903"	387.134876	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2ACN+H"	83.060376
"1525924"	388.128508	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+IsoProp+Na+H"	84.054008
"992007"	194.071076	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+2ACN+2H"	84.067652
"1599633"	389.043128	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K+HCOOH"	84.968628
"1424200"	419.074638	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+H+CF3COOH"	115.000138
"1154490"	214.584351	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+3ACN+2H"	125.094202
"1699667"	436.101185	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+NH4+CF3COOH"	132.026685
"1634346"	441.05658	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+Na+CF3COOH"	136.98208
"1574253"	457.03052	"C19442"	"Medphalan;D-Melphalan"	"C13H18Cl2N2O2"	"304.0745"	"M+K+CF3COOH"	152.95602
"816530"	86.0368	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M"	0
"986902"	67.01841	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-H2O-H"	-19.01839
"78359"	56.3505906666667	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M-3H"	-3.021828
"511427"	85.029524	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M-3H"	-3.021828
"890323"	27.6716573333333	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-3H"	-3.021828
"15689"	85.029524	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M-2H"	-2.014552
"455020"	128.047924	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M-2H"	-2.014552
"831733"	42.011124	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-2H"	-2.014552
"87346"	171.066324	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M-H"	-1.007276
"525815"	257.103124	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M-H"	-1.007276
"903617"	85.029524	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-H"	-1.007276
"56895"	188.092871	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M-2H+NH4"	16.019271
"490992"	274.129671	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M-2H+NH4"	16.019271
"867702"	102.056071	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-2H+NH4"	16.019271
"34510"	193.048266	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M-2H+Na"	20.974666
"474069"	279.085066	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M-2H+Na"	20.974666
"849683"	107.011466	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-2H+Na"	20.974666
"1622497"	107.011466	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Na-2H"	20.974666
"97934"	103.017863	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M-H+Cl"	33.962126
"544055"	146.036263	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M-H+Cl"	33.962126
"939758"	59.999463	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-H+Cl"	33.962126
"275034"	207.043002	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+Cl"	34.969402
"668553"	293.079802	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+Cl"	34.969402
"1282050"	121.006202	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Cl"	34.969402
"25700"	209.022206	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M-2H+K"	36.948606
"469635"	295.059006	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M-2H+K"	36.948606
"844158"	122.985406	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-2H+K"	36.948606
"1568013"	122.985406	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+K-2H"	36.948606
"947148"	131.034994	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-H+HCOOH"	44.998194
"365726"	217.071801	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+HCOOH-H"	44.998201
"353256"	231.087451	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+Hac-H"	59.013851
"1494433"	145.050651	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Hac-H"	59.013851
"959545"	153.016951	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-H+NaCOOH"	66.980151
"114164"	121.006202	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+2Cl"	69.938804
"554453"	164.024602	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+2Cl"	69.938804
"1029085"	77.987802	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2Cl"	69.938804
"1246478"	164.955685	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Br"	78.918885
"1311113"	167.011672	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Cl+HCOOH"	80.974872
"1329704"	188.993629	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Cl+NaCOOH"	102.956829
"918574"	199.022386	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M-H+CF3COOH"	112.985586
"1302210"	234.999064	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Cl+CF3COOH"	148.962264
"1378548"	51.024124	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H-2H2O"	-35.012676
"1392034"	69.0341	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H-H2O"	-17.0027
"290628"	173.080876	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+H"	1.007276
"680864"	259.117676	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+H"	1.007276
"1364504"	87.044076	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H"	1.007276
"134112"	87.044076	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+2H"	2.014552
"577682"	130.062476	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+2H"	2.014552
"1050861"	44.025676	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2H"	2.014552
"219661"	58.3651426666667	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+3H"	3.021828
"657599"	87.044076	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+3H"	3.021828
"1174999"	29.6862093333333	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+3H"	3.021828
"437178"	190.107423	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+NH4"	18.033823
"795983"	276.144223	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+NH4"	18.033823
"1687943"	104.070623	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+NH4"	18.033823
"340594"	95.5573495	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+H+NH4"	19.041099
"730829"	138.5757495	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+H+NH4"	19.041099
"1485742"	52.5389495	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H+NH4"	19.041099
"401141"	195.062818	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+Na"	22.989218
"763231"	281.099618	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+Na"	22.989218
"1609144"	109.026018	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Na"	22.989218
"321368"	98.035047	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+H+Na"	23.996494
"712696"	141.053447	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+H+Na"	23.996494
"1468702"	55.016647	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H+Na"	23.996494
"1058671"	37.0135233333333	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2H+Na"	25.00377
"1261443"	119.070286	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+CH3OH+H"	33.033486
"387673"	211.036758	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+K"	38.963158
"748668"	297.073558	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+K"	38.963158
"1550719"	124.999958	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+K"	38.963158
"312268"	106.022017	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+H+K"	39.970434
"706677"	149.040417	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+H+K"	39.970434
"1460334"	63.003617	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H+K"	39.970434
"249304"	214.107426	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+ACN+H"	42.033826
"1224199"	128.070626	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+ACN+H"	42.033826
"1208449"	64.538951	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+ACN+2H"	43.041102
"200954"	217.04476	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+2Na-H"	44.97116
"643066"	303.08156	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+2Na-H"	44.97116
"1146862"	131.00796	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2Na-H"	44.97116
"186219"	109.026018	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+2Na"	45.978436
"625414"	152.044418	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+2Na"	45.978436
"1130988"	66.007618	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2Na"	45.978436
"1411714"	44.3408373333333	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H+2Na"	46.985712
"1441645"	133.049546	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H+HCOOH"	47.012746
"231340"	114.05904	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+3H2O+2H"	56.04448
"1521591"	147.10159	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+IsoProp+H"	61.06479
"422737"	117.012988	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+Na+K"	61.952376
"784096"	160.031388	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+Na+K"	61.952376
"1677509"	73.994588	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Na+K"	61.952376
"262936"	236.089368	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+ACN+Na"	64.015768
"1234549"	150.052568	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+ACN+Na"	64.015768
"1725622"	150.076093	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+NH4+HCOOH"	64.039293
"1188789"	51.6681513333333	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+3Na"	68.967654
"1655401"	155.031488	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Na+HCOOH"	68.994688
"165540"	248.99264	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+2K-H"	76.91904
"606194"	335.02944	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+2K-H"	76.91904
"1090707"	162.95584	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2K-H"	76.91904
"147520"	124.999958	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"2M+2K"	77.926316
"587084"	168.018358	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"3M+2K"	77.926316
"1080348"	81.981558	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2K"	77.926316
"1115526"	164.970392	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2K+H"	78.933592
"1347761"	165.058007	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+DMSO+H"	79.021207
"1013013"	169.097176	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2ACN+H"	83.060376
"1528951"	170.090808	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+IsoProp+Na+H"	84.054008
"1005120"	85.052226	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+2ACN+2H"	84.067652
"1596464"	171.005428	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+K+HCOOH"	84.968628
"1428685"	201.036938	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+H+CF3COOH"	115.000138
"1161160"	105.565501	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+3ACN+2H"	125.094202
"1711804"	218.063485	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+NH4+CF3COOH"	132.026685
"1643081"	223.01888	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+Na+CF3COOH"	136.98208
"1571444"	238.99282	"C19443"	"Methyl acrylate"	"C4H6O2"	"86.0368"	"M+K+CF3COOH"	152.95602
"816034"	200.0473	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M"	0
"983732"	181.02891	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-H2O-H"	-19.01839
"74160"	132.357590666667	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M-3H"	-3.021828
"517616"	199.040024	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M-3H"	-3.021828
"894569"	65.6751573333333	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-3H"	-3.021828
"14112"	199.040024	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M-2H"	-2.014552
"455012"	299.063674	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M-2H"	-2.014552
"831116"	99.016374	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-2H"	-2.014552
"86363"	399.087324	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M-H"	-1.007276
"522645"	599.134624	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M-H"	-1.007276
"901541"	199.040024	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-H"	-1.007276
"58101"	416.113871	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M-2H+NH4"	16.019271
"492197"	616.161171	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M-2H+NH4"	16.019271
"867813"	216.066571	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-2H+NH4"	16.019271
"34620"	421.069266	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M-2H+Na"	20.974666
"472355"	621.116566	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M-2H+Na"	20.974666
"851979"	221.021966	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-2H+Na"	20.974666
"1622608"	221.021966	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Na-2H"	20.974666
"101324"	217.028363	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M-H+Cl"	33.962126
"544165"	317.052013	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M-H+Cl"	33.962126
"937681"	117.004713	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-H+Cl"	33.962126
"275144"	435.064002	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+Cl"	34.969402
"667570"	635.111302	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+Cl"	34.969402
"1282160"	235.016702	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Cl"	34.969402
"27996"	437.043206	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M-2H+K"	36.948606
"465372"	637.090506	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M-2H+K"	36.948606
"844267"	236.995906	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-2H+K"	36.948606
"1566300"	236.995906	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+K-2H"	36.948606
"949440"	245.045494	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-H+HCOOH"	44.998194
"368387"	445.092801	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+HCOOH-H"	44.998201
"353365"	459.108451	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+Hac-H"	59.013851
"1502930"	259.061151	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Hac-H"	59.013851
"969743"	267.027451	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-H+NaCOOH"	66.980151
"120837"	235.016702	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+2Cl"	69.938804
"562950"	335.040352	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+2Cl"	69.938804
"1032113"	134.993052	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2Cl"	69.938804
"1249869"	278.966185	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Br"	78.918885
"1315962"	281.022172	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Cl+HCOOH"	80.974872
"1326532"	303.004129	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Cl+NaCOOH"	102.956829
"921965"	313.032886	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M-H+CF3COOH"	112.985586
"1299767"	349.009564	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Cl+CF3COOH"	148.962264
"1373554"	165.034624	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H-2H2O"	-35.012676
"1397008"	183.0446	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H-H2O"	-17.0027
"295116"	401.101876	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+H"	1.007276
"688266"	601.149176	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+H"	1.007276
"1359511"	201.054576	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H"	1.007276
"132399"	201.054576	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+2H"	2.014552
"579251"	301.078226	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+2H"	2.014552
"1052066"	101.030926	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2H"	2.014552
"219974"	134.372142666667	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+3H"	3.021828
"659540"	201.054576	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+3H"	3.021828
"1177422"	67.6897093333333	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+3H"	3.021828
"438751"	418.128423	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+NH4"	18.033823
"800715"	618.175723	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+NH4"	18.033823
"1695710"	218.081123	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+NH4"	18.033823
"342895"	209.5678495	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+H+NH4"	19.041099
"732035"	309.5914995	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+H+NH4"	19.041099
"1492682"	109.5441995	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H+NH4"	19.041099
"404532"	423.083818	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+Na"	22.989218
"764435"	623.131118	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+Na"	22.989218
"1611441"	223.036518	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Na"	22.989218
"323667"	212.045547	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+H+Na"	23.996494
"717181"	312.069197	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+H+Na"	23.996494
"1468815"	112.021897	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H+Na"	23.996494
"1060968"	75.0170233333333	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2H+Na"	25.00377
"1263739"	233.080786	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+CH3OH+H"	33.033486
"384503"	439.057758	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+K"	38.963158
"749872"	639.105058	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+K"	38.963158
"1550832"	239.010458	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+K"	38.963158
"311654"	220.032517	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+H+K"	39.970434
"705533"	320.056167	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+H+K"	39.970434
"1459719"	120.008867	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H+K"	39.970434
"250510"	442.128426	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+ACN+H"	42.033826
"1224314"	242.081126	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+ACN+H"	42.033826
"1209174"	121.544201	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+ACN+2H"	43.041102
"203945"	445.06576	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+2Na-H"	44.97116
"642576"	645.11306	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+2Na-H"	44.97116
"1147034"	245.01846	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2Na-H"	44.97116
"188079"	223.036518	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+2Na"	45.978436
"627960"	323.060168	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+2Na"	45.978436
"1131234"	123.012868	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2Na"	45.978436
"1413531"	82.3443373333333	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H+2Na"	46.985712
"1444310"	247.060046	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H+HCOOH"	47.012746
"233642"	228.06954	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+3H2O+2H"	56.04448
"1524123"	261.11209	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+IsoProp+H"	61.06479
"422847"	231.023488	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+Na+K"	61.952376
"783842"	331.047138	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+Na+K"	61.952376
"1679078"	130.999838	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Na+K"	61.952376
"265964"	464.110368	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+ACN+Na"	64.015768
"1239764"	264.063068	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+ACN+Na"	64.015768
"1725732"	264.086593	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+NH4+HCOOH"	64.039293
"1188899"	89.6716513333333	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+3Na"	68.967654
"1655875"	269.041988	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Na+HCOOH"	68.994688
"168931"	477.01364	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+2K-H"	76.91904
"607397"	677.06094	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+2K-H"	76.91904
"1090817"	276.96634	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2K-H"	76.91904
"146903"	239.010458	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"2M+2K"	77.926316
"586465"	339.034108	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"3M+2K"	77.926316
"1080458"	138.986808	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2K"	77.926316
"1114282"	278.980892	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2K+H"	78.933592
"1348844"	279.068507	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+DMSO+H"	79.021207
"1019685"	283.107676	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2ACN+H"	83.060376
"1538903"	284.101308	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+IsoProp+Na+H"	84.054008
"1002071"	142.057476	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+2ACN+2H"	84.067652
"1599857"	285.015928	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+K+HCOOH"	84.968628
"1427703"	315.047438	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+H+CF3COOH"	115.000138
"1160178"	162.570751	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+3ACN+2H"	125.094202
"1709729"	332.073985	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+NH4+CF3COOH"	132.026685
"1644286"	337.02938	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+Na+CF3COOH"	136.98208
"1571675"	353.00332	"C19444"	"5-Methylangelicin"	"C12H8O3"	"200.0473"	"M+K+CF3COOH"	152.95602
"812496"	75.032	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M"	0
"980561"	56.01361	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-H2O-H"	-19.01839
"68803"	49.0140573333333	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M-3H"	-3.021828
"518168"	74.024724	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M-3H"	-3.021828
"890543"	24.0033906666667	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-3H"	-3.021828
"11304"	74.024724	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M-2H"	-2.014552
"451959"	111.540724	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M-2H"	-2.014552
"829760"	36.508724	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-2H"	-2.014552
"86475"	149.056724	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M-H"	-1.007276
"528222"	224.088724	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M-H"	-1.007276
"906024"	74.024724	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-H"	-1.007276
"54930"	166.083271	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M-2H+NH4"	16.019271
"492308"	241.115271	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M-2H+NH4"	16.019271
"872295"	91.051271	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-2H+NH4"	16.019271
"31592"	171.038666	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M-2H+Na"	20.974666
"471498"	246.070666	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M-2H+Na"	20.974666
"849903"	96.006666	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-2H+Na"	20.974666
"1623811"	96.006666	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Na-2H"	20.974666
"100341"	92.013063	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M-H+Cl"	33.962126
"544275"	129.529063	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M-H+Cl"	33.962126
"931229"	54.497063	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-H+Cl"	33.962126
"275254"	185.033402	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+Cl"	34.969402
"671324"	260.065402	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+Cl"	34.969402
"1284822"	110.001402	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Cl"	34.969402
"19723"	187.012606	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M-2H+K"	36.948606
"465480"	262.044606	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M-2H+K"	36.948606
"842187"	111.980606	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-2H+K"	36.948606
"1560938"	111.980606	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+K-2H"	36.948606
"947364"	120.030194	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-H+HCOOH"	44.998194
"370684"	195.062201	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+HCOOH-H"	44.998201
"353475"	209.077851	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+Hac-H"	59.013851
"1500125"	134.045851	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Hac-H"	59.013851
"969489"	142.012151	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-H+NaCOOH"	66.980151
"122407"	110.001402	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+2Cl"	69.938804
"561238"	147.517402	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+2Cl"	69.938804
"1033317"	72.485402	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2Cl"	69.938804
"1248886"	153.950885	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Br"	78.918885
"1316436"	156.006872	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Cl+HCOOH"	80.974872
"1329922"	177.988829	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Cl+NaCOOH"	102.956829
"918795"	188.017586	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M-H+CF3COOH"	112.985586
"1296597"	223.994264	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Cl+CF3COOH"	148.962264
"1373664"	40.019324	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H-2H2O"	-35.012676
"1397602"	58.0293	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H-H2O"	-17.0027
"293037"	151.071276	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+H"	1.007276
"686553"	226.103276	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+H"	1.007276
"1359621"	76.039276	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H"	1.007276
"131416"	76.039276	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+2H"	2.014552
"578267"	113.555276	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+2H"	2.014552
"1050354"	38.523276	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2H"	2.014552
"219597"	51.0286093333333	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+3H"	3.021828
"659278"	76.039276	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+3H"	3.021828
"1177407"	26.0179426666667	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+3H"	3.021828
"439100"	168.097823	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+NH4"	18.033823
"796937"	243.129823	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+NH4"	18.033823
"1694360"	93.065823	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+NH4"	18.033823
"343732"	84.5525495	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+H+NH4"	19.041099
"736518"	122.0685495	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+H+NH4"	19.041099
"1490339"	47.0365495	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H+NH4"	19.041099
"402457"	173.053218	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+Na"	22.989218
"768553"	248.085218	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+Na"	22.989218
"1608270"	98.021218	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Na"	22.989218
"320496"	87.030247	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+H+Na"	23.996494
"716199"	124.546247	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+H+Na"	23.996494
"1470018"	49.514247	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H+Na"	23.996494
"1062171"	33.3452566666667	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2H+Na"	25.00377
"1261662"	108.065486	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+CH3OH+H"	33.033486
"383520"	189.027158	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+K"	38.963158
"751441"	264.059158	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+K"	38.963158
"1551672"	113.995158	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+K"	38.963158
"310305"	95.017217	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+H+K"	39.970434
"704913"	132.533217	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+H+K"	39.970434
"1458739"	57.501217	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H+K"	39.970434
"250137"	192.097826	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+ACN+H"	42.033826
"1224058"	117.065826	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+ACN+H"	42.033826
"1208432"	59.036551	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+ACN+2H"	43.041102
"203123"	195.03516	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+2Na-H"	44.97116
"642925"	270.06716	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+2Na-H"	44.97116
"1146437"	120.00316	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2Na-H"	44.97116
"187661"	98.021218	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+2Na"	45.978436
"627341"	135.537218	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+2Na"	45.978436
"1130483"	60.505218	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2Na"	45.978436
"1412667"	40.6725706666667	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H+2Na"	46.985712
"1445107"	122.044746	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H+HCOOH"	47.012746
"234479"	103.05424	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+3H2O+2H"	56.04448
"1523638"	136.09679	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+IsoProp+H"	61.06479
"422592"	106.008188	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+Na+K"	61.952376
"783587"	143.524188	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+Na+K"	61.952376
"1678459"	68.492188	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Na+K"	61.952376
"265709"	214.079768	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+ACN+Na"	64.015768
"1236959"	139.047768	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+ACN+Na"	64.015768
"1727301"	139.071293	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+NH4+HCOOH"	64.039293
"1191561"	47.9998846666667	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+3Na"	68.967654
"1655621"	144.026688	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Na+HCOOH"	68.994688
"169041"	226.98304	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+2K-H"	76.91904
"605321"	302.01504	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+2K-H"	76.91904
"1092020"	151.95104	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2K-H"	76.91904
"147013"	113.995158	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"2M+2K"	77.926316
"590584"	151.511158	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"3M+2K"	77.926316
"1080568"	76.479158	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2K"	77.926316
"1113542"	153.965592	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2K+H"	78.933592
"1346887"	154.053207	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+DMSO+H"	79.021207
"1016514"	158.092376	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2ACN+H"	83.060376
"1535732"	159.086008	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+IsoProp+Na+H"	84.054008
"1002181"	79.549826	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+2ACN+2H"	84.067652
"1598874"	160.000628	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+K+HCOOH"	84.968628
"1424533"	190.032138	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+H+CF3COOH"	115.000138
"1161382"	100.063101	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+3ACN+2H"	125.094202
"1712025"	207.058685	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+NH4+CF3COOH"	132.026685
"1645490"	212.01408	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+Na+CF3COOH"	136.98208
"1571461"	227.98802	"C19445"	"Methyl carbamate"	"C2H5NO2"	"75.032"	"M+K+CF3COOH"	152.95602
"814794"	49.9923	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M"	0
"987235"	30.97391	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-H2O-H"	-19.01839
"77671"	32.320924	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M-3H"	-3.021828
"516136"	48.985024	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M-3H"	-3.021828
"889561"	15.656824	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-3H"	-3.021828
"13604"	48.985024	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M-2H"	-2.014552
"453164"	73.981174	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M-2H"	-2.014552
"829877"	23.988874	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-2H"	-2.014552
"84399"	98.977324	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M-H"	-1.007276
"523960"	148.969624	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M-H"	-1.007276
"901764"	48.985024	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-H"	-1.007276
"50671"	116.003871	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M-2H+NH4"	16.019271
"491325"	165.996171	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M-2H+NH4"	16.019271
"871313"	66.011571	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-2H+NH4"	16.019271
"41401"	120.959266	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M-2H+Na"	20.974666
"480962"	170.951566	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M-2H+Na"	20.974666
"859858"	70.966966	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-2H+Na"	20.974666
"1629759"	70.966966	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Na-2H"	20.974666
"103734"	66.973363	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M-H+Cl"	33.962126
"545118"	91.969513	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M-H+Cl"	33.962126
"937904"	41.977213	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-H+Cl"	33.962126
"277917"	134.954002	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+Cl"	34.969402
"669979"	184.946302	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+Cl"	34.969402
"1282746"	84.961702	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Cl"	34.969402
"23115"	136.933206	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M-2H+K"	36.948606
"463768"	186.925506	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M-2H+K"	36.948606
"846924"	86.940906	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-2H+K"	36.948606
"1567616"	86.940906	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+K-2H"	36.948606
"952581"	94.990494	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-H+HCOOH"	44.998194
"368612"	144.982801	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+HCOOH-H"	44.998201
"356142"	158.998451	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+Hac-H"	59.013851
"1503154"	109.006151	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Hac-H"	59.013851
"963405"	116.972451	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-H+NaCOOH"	66.980151
"119238"	84.961702	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+2Cl"	69.938804
"552598"	109.957852	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+2Cl"	69.938804
"1024679"	59.965552	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2Cl"	69.938804
"1250091"	128.911185	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Br"	78.918885
"1310352"	130.967172	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Cl+HCOOH"	80.974872
"1326756"	152.949129	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Cl+NaCOOH"	102.956829
"921093"	162.977886	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M-H+CF3COOH"	112.985586
"1299990"	198.954564	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Cl+CF3COOH"	148.962264
"1375962"	14.979624	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H-2H2O"	-35.012676
"1389084"	32.9896	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H-H2O"	-17.0027
"286584"	100.991876	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+H"	1.007276
"689578"	150.984176	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+H"	1.007276
"1364834"	50.999576	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H"	1.007276
"131526"	50.999576	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+2H"	2.014552
"580448"	75.995726	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+2H"	2.014552
"1050828"	26.003426	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2H"	2.014552
"218734"	34.335476	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+3H"	3.021828
"657206"	50.999576	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+3H"	3.021828
"1174236"	17.671376	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+3H"	3.021828
"428762"	118.018423	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+NH4"	18.033823
"794130"	168.010723	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+NH4"	18.033823
"1692648"	68.026123	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+NH4"	18.033823
"338739"	59.5128495	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+H+NH4"	19.041099
"734441"	84.5089995	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+H+NH4"	19.041099
"1480605"	34.5166995	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H+NH4"	19.041099
"396734"	122.973818	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+Na"	22.989218
"762471"	172.966118	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+Na"	22.989218
"1607291"	72.981518	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Na"	22.989218
"323886"	61.990547	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+H+Na"	23.996494
"711934"	86.986697	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+H+Na"	23.996494
"1471221"	36.994397	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H+Na"	23.996494
"1055720"	24.99869	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2H+Na"	25.00377
"1260681"	83.025786	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+CH3OH+H"	33.033486
"381444"	138.947758	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+K"	38.963158
"748999"	188.940058	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+K"	38.963158
"1552146"	88.955458	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+K"	38.963158
"310053"	69.977517	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+H+K"	39.970434
"703931"	94.973667	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+H+K"	39.970434
"1459942"	44.981367	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H+K"	39.970434
"249270"	142.018426	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+ACN+H"	42.033826
"1224532"	92.026126	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+ACN+H"	42.033826
"1207685"	46.516701	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+ACN+2H"	43.041102
"201648"	144.95576	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+2Na-H"	44.97116
"642303"	194.94806	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+2Na-H"	44.97116
"1146544"	94.96346	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2Na-H"	44.97116
"187769"	72.981518	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+2Na"	45.978436
"626474"	97.977668	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+2Na"	45.978436
"1131080"	47.985368	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2Na"	45.978436
"1413628"	32.326004	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H+2Na"	46.985712
"1443071"	97.005046	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H+HCOOH"	47.012746
"235683"	78.01454	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+3H2O+2H"	56.04448
"1524159"	111.05709	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+IsoProp+H"	61.06479
"424167"	80.968488	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+Na+K"	61.952376
"785487"	105.964638	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+Na+K"	61.952376
"1680758"	55.972338	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Na+K"	61.952376
"265089"	164.000368	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+ACN+Na"	64.015768
"1240592"	114.008068	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+ACN+Na"	64.015768
"1727777"	114.031593	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+NH4+HCOOH"	64.039293
"1188753"	39.653318	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+3Na"	68.967654
"1661196"	118.986988	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Na+HCOOH"	68.994688
"166964"	176.90364	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+2K-H"	76.91904
"604701"	226.89594	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+2K-H"	76.91904
"1092128"	126.91134	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2K-H"	76.91904
"146763"	88.955458	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"2M+2K"	77.926316
"592886"	113.951608	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"3M+2K"	77.926316
"1077398"	63.959308	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2K"	77.926316
"1114022"	128.925892	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2K+H"	78.933592
"1345904"	129.013507	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+DMSO+H"	79.021207
"1016999"	133.052676	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2ACN+H"	83.060376
"1534395"	134.046308	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+IsoProp+Na+H"	84.054008
"995738"	67.029976	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+2ACN+2H"	84.067652
"1597896"	134.960928	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+K+HCOOH"	84.968628
"1423553"	164.992438	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+H+CF3COOH"	115.000138
"1156028"	87.543251	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+3ACN+2H"	125.094202
"1705579"	182.018985	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+NH4+CF3COOH"	132.026685
"1641230"	186.97438	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+Na+CF3COOH"	136.98208
"1571897"	202.94832	"C19446"	"Methyl chloride"	"CH3Cl"	"49.9923"	"M+K+CF3COOH"	152.95602
"810529"	242.1096	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M"	0
"980781"	223.09121	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-H2O-H"	-19.01839
"75591"	160.399124	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M-3H"	-3.021828
"518393"	241.102324	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M-3H"	-3.021828
"892953"	79.695924	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-3H"	-3.021828
"14807"	241.102324	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H"	-2.014552
"449994"	362.157124	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H"	-2.014552
"829984"	120.047524	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-2H"	-2.014552
"89977"	483.211924	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M-H"	-1.007276
"524069"	725.321524	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M-H"	-1.007276
"901874"	241.102324	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-H"	-1.007276
"54061"	500.238471	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+NH4"	16.019271
"491435"	742.348071	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+NH4"	16.019271
"871423"	258.128871	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+NH4"	16.019271
"41511"	505.193866	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+Na"	20.974666
"475603"	747.303466	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+Na"	20.974666
"859969"	263.084266	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+Na"	20.974666
"1630598"	263.084266	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Na-2H"	20.974666
"106034"	259.090663	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M-H+Cl"	33.962126
"546323"	380.145463	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M-H+Cl"	33.962126
"940203"	138.035863	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-H+Cl"	33.962126
"276570"	519.188602	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+Cl"	34.969402
"669723"	761.298202	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+Cl"	34.969402
"1283586"	277.079002	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl"	34.969402
"27236"	521.167806	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+K"	36.948606
"461690"	763.277406	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+K"	36.948606
"842411"	279.058206	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+K"	36.948606
"1570278"	279.058206	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+K-2H"	36.948606
"951598"	287.107794	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-H+HCOOH"	44.998194
"375285"	529.217401	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+HCOOH-H"	44.998201
"357345"	543.233051	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+Hac-H"	59.013851
"1503264"	301.123451	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Hac-H"	59.013851
"967889"	309.089751	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-H+NaCOOH"	66.980151
"119712"	277.079002	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Cl"	69.938804
"553077"	398.133802	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Cl"	69.938804
"1025155"	156.024202	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2Cl"	69.938804
"1252387"	321.028485	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Br"	78.918885
"1314836"	323.084472	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+HCOOH"	80.974872
"1324680"	345.066429	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+NaCOOH"	102.956829
"920110"	355.095186	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M-H+CF3COOH"	112.985586
"1300100"	391.071864	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+CF3COOH"	148.962264
"1378989"	207.096924	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H-2H2O"	-35.012676
"1391747"	225.1069	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H-H2O"	-17.0027
"297145"	485.226476	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+H"	1.007276
"686407"	727.336076	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+H"	1.007276
"1359840"	243.116876	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H"	1.007276
"131636"	243.116876	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+2H"	2.014552
"579951"	364.171676	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+2H"	2.014552
"1052770"	122.062076	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2H"	2.014552
"215935"	162.413676	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H"	3.021828
"656223"	243.116876	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+3H"	3.021828
"1172160"	81.710476	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+3H"	3.021828
"427412"	502.253023	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+NH4"	18.033823
"798251"	744.362623	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+NH4"	18.033823
"1691667"	260.143423	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4"	18.033823
"334110"	251.6301495	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+NH4"	19.041099
"733458"	372.6849495	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+NH4"	19.041099
"1482537"	130.5753495	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H+NH4"	19.041099
"401583"	507.208418	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na"	22.989218
"762578"	749.318018	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na"	22.989218
"1607400"	265.098818	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Na"	22.989218
"318529"	254.107847	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+Na"	23.996494
"715323"	375.162647	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+Na"	23.996494
"1470238"	133.053047	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H+Na"	23.996494
"1058019"	89.03779	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2H+Na"	25.00377
"1264072"	275.143086	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+CH3OH+H"	33.033486
"379732"	523.182358	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+K"	38.963158
"751297"	765.291958	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+K"	38.963158
"1553351"	281.072758	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+K"	38.963158
"313731"	262.094817	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+K"	39.970434
"705868"	383.149617	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+K"	39.970434
"1460624"	141.040017	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H+K"	39.970434
"250359"	526.253026	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+H"	42.033826
"1224767"	284.143426	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+H"	42.033826
"1209898"	142.575351	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+2H"	43.041102
"204230"	529.19036	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na-H"	44.97116
"642780"	771.29996	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na-H"	44.97116
"1146946"	287.08076	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na-H"	44.97116
"187760"	265.098818	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na"	45.978436
"627437"	386.153618	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na"	45.978436
"1130702"	144.044018	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na"	45.978436
"1411064"	96.365104	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H+2Na"	46.985712
"1443181"	289.122346	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H+HCOOH"	47.012746
"232876"	270.13184	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H2O+2H"	56.04448
"1523738"	303.17439	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+H"	61.06479
"423789"	273.085788	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na+K"	61.952376
"785234"	394.140588	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na+K"	61.952376
"1681145"	152.030988	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+K"	61.952376
"266993"	548.234968	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+Na"	64.015768
"1240868"	306.125368	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+Na"	64.015768
"1728219"	306.148893	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+HCOOH"	64.039293
"1193605"	103.692418	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+3Na"	68.967654
"1663132"	311.104288	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+HCOOH"	68.994688
"167078"	561.13824	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K-H"	76.91904
"604450"	803.24784	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K-H"	76.91904
"1091151"	319.02864	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2K-H"	76.91904
"146873"	281.072758	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K"	77.926316
"589715"	402.127558	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K"	77.926316
"1082976"	160.017958	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2K"	77.926316
"1114980"	321.043192	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2K+H"	78.933592
"1348202"	321.130807	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+DMSO+H"	79.021207
"1018561"	325.169976	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+H"	83.060376
"1536326"	326.163608	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+Na+H"	84.054008
"1001681"	163.088626	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+2H"	84.067652
"1598002"	327.078228	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+K+HCOOH"	84.968628
"1427672"	357.109738	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+H+CF3COOH"	115.000138
"1153951"	183.601901	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+3ACN+2H"	125.094202
"1705689"	374.136285	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+CF3COOH"	132.026685
"1640246"	379.09168	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+CF3COOH"	136.98208
"1572249"	395.06562	"C19447"	"1-Methylchrysene"	"C19H14"	"242.1096"	"M+K+CF3COOH"	152.95602
"812826"	242.1096	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M"	0
"983078"	223.09121	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-H2O-H"	-19.01839
"77765"	160.399124	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M-3H"	-3.021828
"518140"	241.102324	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M-3H"	-3.021828
"893064"	79.695924	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-3H"	-3.021828
"15622"	241.102324	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H"	-2.014552
"453384"	362.157124	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H"	-2.014552
"830094"	120.047524	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-2H"	-2.014552
"90088"	483.211924	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M-H"	-1.007276
"524180"	725.321524	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M-H"	-1.007276
"904171"	241.102324	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-H"	-1.007276
"56358"	500.238471	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+NH4"	16.019271
"494826"	742.348071	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+NH4"	16.019271
"872627"	258.128871	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+NH4"	16.019271
"41621"	505.193866	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+Na"	20.974666
"475713"	747.303466	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+Na"	20.974666
"863929"	263.084266	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+Na"	20.974666
"1633019"	263.084266	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Na-2H"	20.974666
"108329"	259.090663	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M-H+Cl"	33.962126
"549230"	380.145463	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M-H+Cl"	33.962126
"941406"	138.035863	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-H+Cl"	33.962126
"277774"	519.188602	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+Cl"	34.969402
"674330"	761.298202	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+Cl"	34.969402
"1284789"	277.079002	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl"	34.969402
"27345"	521.167806	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+K"	36.948606
"464716"	763.277406	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+K"	36.948606
"842519"	279.058206	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+K"	36.948606
"1570754"	279.058206	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+K-2H"	36.948606
"954987"	287.107794	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-H+HCOOH"	44.998194
"375395"	529.217401	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+HCOOH-H"	44.998201
"357091"	543.233051	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+Hac-H"	59.013851
"1505195"	301.123451	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Hac-H"	59.013851
"968000"	309.089751	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-H+NaCOOH"	66.980151
"115811"	277.079002	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Cl"	69.938804
"556467"	398.133802	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Cl"	69.938804
"1027453"	156.024202	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2Cl"	69.938804
"1252862"	321.028485	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Br"	78.918885
"1314946"	323.084472	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+HCOOH"	80.974872
"1325884"	345.066429	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+NaCOOH"	102.956829
"922407"	355.095186	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M-H+CF3COOH"	112.985586
"1295835"	391.071864	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+CF3COOH"	148.962264
"1378006"	207.096924	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H-2H2O"	-35.012676
"1392221"	225.1069	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H-H2O"	-17.0027
"292637"	485.226476	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+H"	1.007276
"686152"	727.336076	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+H"	1.007276
"1359950"	243.116876	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H"	1.007276
"128465"	243.116876	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+2H"	2.014552
"581258"	364.171676	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+2H"	2.014552
"1052552"	122.062076	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2H"	2.014552
"216045"	162.413676	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H"	3.021828
"656698"	243.116876	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+3H"	3.021828
"1173366"	81.710476	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+3H"	3.021828
"429346"	502.253023	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+NH4"	18.033823
"790703"	744.362623	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+NH4"	18.033823
"1685212"	260.143423	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4"	18.033823
"341146"	251.6301495	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+NH4"	19.041099
"732475"	372.6849495	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+NH4"	19.041099
"1483015"	130.5753495	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H+NH4"	19.041099
"399507"	507.208418	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na"	22.989218
"758317"	749.318018	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na"	22.989218
"1607507"	265.098818	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Na"	22.989218
"320826"	254.107847	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+Na"	23.996494
"717620"	375.162647	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+Na"	23.996494
"1471440"	133.053047	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H+Na"	23.996494
"1058130"	89.03779	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2H+Na"	25.00377
"1266369"	275.143086	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+CH3OH+H"	33.033486
"387131"	523.182358	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+K"	38.963158
"753232"	765.291958	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+K"	38.963158
"1554556"	281.072758	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+K"	38.963158
"313801"	262.094817	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+K"	39.970434
"704152"	383.149617	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+K"	39.970434
"1461141"	141.040017	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H+K"	39.970434
"250471"	526.253026	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+H"	42.033826
"1225207"	284.143426	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+H"	42.033826
"1209490"	142.575351	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+2H"	43.041102
"204204"	529.19036	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na-H"	44.97116
"644044"	771.29996	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na-H"	44.97116
"1146727"	287.08076	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na-H"	44.97116
"188496"	265.098818	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na"	45.978436
"628421"	386.153618	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na"	45.978436
"1131140"	144.044018	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na"	45.978436
"1413896"	96.365104	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H+2Na"	46.985712
"1444997"	289.122346	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H+HCOOH"	47.012746
"234445"	270.13184	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H2O+2H"	56.04448
"1523362"	303.17439	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+H"	61.06479
"423290"	273.085788	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na+K"	61.952376
"785468"	394.140588	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na+K"	61.952376
"1680824"	152.030988	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+K"	61.952376
"266411"	548.234968	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+Na"	64.015768
"1241179"	306.125368	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+Na"	64.015768
"1728332"	306.148893	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+HCOOH"	64.039293
"1193473"	103.692418	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+3Na"	68.967654
"1662878"	311.104288	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+HCOOH"	68.994688
"167188"	561.13824	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K-H"	76.91904
"604560"	803.24784	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K-H"	76.91904
"1091261"	319.02864	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2K-H"	76.91904
"148076"	281.072758	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K"	77.926316
"586545"	402.127558	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K"	77.926316
"1084148"	160.017958	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2K"	77.926316
"1114847"	321.043192	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2K+H"	78.933592
"1347218"	321.130807	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+DMSO+H"	79.021207
"1019645"	325.169976	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+H"	83.060376
"1536800"	326.163608	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+Na+H"	84.054008
"1003611"	163.088626	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+2H"	84.067652
"1600664"	327.078228	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+K+HCOOH"	84.968628
"1428148"	357.109738	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+H+CF3COOH"	115.000138
"1158435"	183.601901	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+3ACN+2H"	125.094202
"1710903"	374.136285	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+CF3COOH"	132.026685
"1643636"	379.09168	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+CF3COOH"	136.98208
"1572726"	395.06562	"C19448"	"2-Methylchrysene"	"C19H14"	"242.1096"	"M+K+CF3COOH"	152.95602
"812936"	242.1096	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M"	0
"986105"	223.09121	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-H2O-H"	-19.01839
"64872"	160.399124	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M-3H"	-3.021828
"516464"	241.102324	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M-3H"	-3.021828
"894268"	79.695924	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-3H"	-3.021828
"13934"	241.102324	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H"	-2.014552
"453495"	362.157124	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H"	-2.014552
"830204"	120.047524	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-2H"	-2.014552
"92020"	483.211924	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M-H"	-1.007276
"524290"	725.321524	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M-H"	-1.007276
"906467"	241.102324	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-H"	-1.007276
"57561"	500.238471	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+NH4"	16.019271
"494936"	742.348071	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+NH4"	16.019271
"876018"	258.128871	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+NH4"	16.019271
"42825"	505.193866	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+Na"	20.974666
"479103"	747.303466	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+Na"	20.974666
"863352"	263.084266	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+Na"	20.974666
"1626440"	263.084266	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Na-2H"	20.974666
"108076"	259.090663	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M-H+Cl"	33.962126
"549095"	380.145463	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M-H+Cl"	33.962126
"942573"	138.035863	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-H+Cl"	33.962126
"275698"	519.188602	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+Cl"	34.969402
"673589"	761.298202	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+Cl"	34.969402
"1284899"	277.079002	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl"	34.969402
"23081"	521.167806	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+K"	36.948606
"462640"	763.277406	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+K"	36.948606
"840443"	279.058206	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+K"	36.948606
"1570132"	279.058206	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+K-2H"	36.948606
"955096"	287.107794	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-H+HCOOH"	44.998194
"376598"	529.217401	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+HCOOH-H"	44.998201
"357565"	543.233051	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+Hac-H"	59.013851
"1505305"	301.123451	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Hac-H"	59.013851
"969203"	309.089751	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-H+NaCOOH"	66.980151
"115922"	277.079002	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Cl"	69.938804
"556577"	398.133802	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Cl"	69.938804
"1025376"	156.024202	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2Cl"	69.938804
"1250419"	321.028485	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Br"	78.918885
"1312869"	323.084472	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+HCOOH"	80.974872
"1322712"	345.066429	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+NaCOOH"	102.956829
"915957"	355.095186	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M-H+CF3COOH"	112.985586
"1297038"	391.071864	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+CF3COOH"	148.962264
"1379209"	207.096924	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H-2H2O"	-35.012676
"1389415"	225.1069	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H-H2O"	-17.0027
"290195"	485.226476	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+H"	1.007276
"677875"	727.336076	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+H"	1.007276
"1353497"	243.116876	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H"	1.007276
"127480"	243.116876	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+2H"	2.014552
"580785"	364.171676	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+2H"	2.014552
"1052747"	122.062076	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2H"	2.014552
"215792"	162.413676	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H"	3.021828
"655350"	243.116876	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+3H"	3.021828
"1174205"	81.710476	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+3H"	3.021828
"427632"	502.253023	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+NH4"	18.033823
"790083"	744.362623	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+NH4"	18.033823
"1684590"	260.143423	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4"	18.033823
"335791"	251.6301495	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+NH4"	19.041099
"729305"	372.6849495	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+NH4"	19.041099
"1483124"	130.5753495	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H+NH4"	19.041099
"399617"	507.208418	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na"	22.989218
"758426"	749.318018	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na"	22.989218
"1607618"	265.098818	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Na"	22.989218
"320935"	254.107847	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+Na"	23.996494
"715545"	375.162647	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+Na"	23.996494
"1467179"	133.053047	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H+Na"	23.996494
"1058240"	89.03779	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2H+Na"	25.00377
"1268666"	275.143086	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+CH3OH+H"	33.033486
"387241"	523.182358	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+K"	38.963158
"754108"	765.291958	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+K"	38.963158
"1555470"	281.072758	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+K"	38.963158
"312935"	262.094817	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+K"	39.970434
"706450"	383.149617	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+K"	39.970434
"1460761"	141.040017	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H+K"	39.970434
"250943"	526.253026	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+H"	42.033826
"1225479"	284.143426	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+H"	42.033826
"1209774"	142.575351	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+2H"	43.041102
"204196"	529.19036	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na-H"	44.97116
"641907"	771.29996	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na-H"	44.97116
"1146387"	287.08076	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na-H"	44.97116
"188431"	265.098818	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na"	45.978436
"628025"	386.153618	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na"	45.978436
"1130434"	144.044018	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na"	45.978436
"1413354"	96.365104	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H+2Na"	46.985712
"1444865"	289.122346	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H+HCOOH"	47.012746
"234799"	270.13184	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H2O+2H"	56.04448
"1523108"	303.17439	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+H"	61.06479
"423034"	273.085788	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na+K"	61.952376
"785475"	394.140588	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na+K"	61.952376
"1679265"	152.030988	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+K"	61.952376
"266637"	548.234968	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+Na"	64.015768
"1241050"	306.125368	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+Na"	64.015768
"1727503"	306.148893	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+HCOOH"	64.039293
"1192368"	103.692418	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+3Na"	68.967654
"1661530"	311.104288	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+HCOOH"	68.994688
"167298"	561.13824	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K-H"	76.91904
"603577"	803.24784	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K-H"	76.91904
"1091371"	319.02864	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2K-H"	76.91904
"147093"	281.072758	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K"	77.926316
"586655"	402.127558	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K"	77.926316
"1083321"	160.017958	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2K"	77.926316
"1114472"	321.043192	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2K+H"	78.933592
"1346235"	321.130807	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+DMSO+H"	79.021207
"1020811"	325.169976	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+H"	83.060376
"1539099"	326.163608	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+Na+H"	84.054008
"1003724"	163.088626	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+2H"	84.067652
"1601142"	327.078228	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+K+HCOOH"	84.968628
"1429716"	357.109738	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+H+CF3COOH"	115.000138
"1159639"	183.601901	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+3ACN+2H"	125.094202
"1710284"	374.136285	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+CF3COOH"	132.026685
"1643746"	379.09168	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+CF3COOH"	136.98208
"1572836"	395.06562	"C19449"	"3-Methylchrysene"	"C19H14"	"242.1096"	"M+K+CF3COOH"	152.95602
"813046"	242.1096	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M"	0
"984391"	223.09121	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-H2O-H"	-19.01839
"68262"	160.399124	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M-3H"	-3.021828
"516574"	241.102324	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M-3H"	-3.021828
"894259"	79.695924	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-3H"	-3.021828
"12951"	241.102324	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H"	-2.014552
"453607"	362.157124	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H"	-2.014552
"829586"	120.047524	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-2H"	-2.014552
"89216"	483.211924	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M-H"	-1.007276
"524399"	725.321524	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M-H"	-1.007276
"907671"	241.102324	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-H"	-1.007276
"60224"	500.238471	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+NH4"	16.019271
"500150"	742.348071	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+NH4"	16.019271
"876128"	258.128871	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+NH4"	16.019271
"43664"	505.193866	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+Na"	20.974666
"479213"	747.303466	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+Na"	20.974666
"862611"	263.084266	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+Na"	20.974666
"1627643"	263.084266	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Na-2H"	20.974666
"107822"	259.090663	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M-H+Cl"	33.962126
"549572"	380.145463	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M-H+Cl"	33.962126
"942117"	138.035863	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-H+Cl"	33.962126
"273621"	519.188602	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+Cl"	34.969402
"674066"	761.298202	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+Cl"	34.969402
"1285009"	277.079002	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl"	34.969402
"21004"	521.167806	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+K"	36.948606
"461657"	763.277406	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+K"	36.948606
"840553"	279.058206	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+K"	36.948606
"1562946"	279.058206	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+K-2H"	36.948606
"948643"	287.107794	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-H+HCOOH"	44.998194
"374518"	529.217401	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+HCOOH-H"	44.998201
"357307"	543.233051	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+Hac-H"	59.013851
"1501768"	301.123451	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Hac-H"	59.013851
"968216"	309.089751	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-H+NaCOOH"	66.980151
"119312"	277.079002	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Cl"	69.938804
"559964"	398.133802	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Cl"	69.938804
"1023661"	156.024202	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2Cl"	69.938804
"1247249"	321.028485	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Br"	78.918885
"1309699"	323.084472	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+HCOOH"	80.974872
"1328288"	345.066429	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+NaCOOH"	102.956829
"913879"	355.095186	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M-H+CF3COOH"	112.985586
"1297148"	391.071864	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+CF3COOH"	148.962264
"1374217"	207.096924	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H-2H2O"	-35.012676
"1389526"	225.1069	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H-H2O"	-17.0027
"287025"	485.226476	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+H"	1.007276
"680540"	727.336076	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+H"	1.007276
"1360170"	243.116876	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H"	1.007276
"128686"	243.116876	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+2H"	2.014552
"580894"	364.171676	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+2H"	2.014552
"1052493"	122.062076	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2H"	2.014552
"215537"	162.413676	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H"	3.021828
"654367"	243.116876	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+3H"	3.021828
"1173952"	81.710476	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+3H"	3.021828
"428836"	502.253023	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+NH4"	18.033823
"790559"	744.362623	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+NH4"	18.033823
"1687983"	260.143423	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4"	18.033823
"334803"	251.6301495	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+NH4"	19.041099
"729414"	372.6849495	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+NH4"	19.041099
"1483235"	130.5753495	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H+NH4"	19.041099
"397543"	507.208418	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na"	22.989218
"760722"	749.318018	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na"	22.989218
"1605544"	265.098818	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Na"	22.989218
"321047"	254.107847	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+Na"	23.996494
"710191"	375.162647	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+Na"	23.996494
"1467290"	133.053047	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H+Na"	23.996494
"1055069"	89.03779	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2H+Na"	25.00377
"1267683"	275.143086	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+CH3OH+H"	33.033486
"384071"	523.182358	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+K"	38.963158
"742880"	765.291958	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+K"	38.963158
"1552955"	281.072758	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+K"	38.963158
"311590"	262.094817	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+K"	39.970434
"705714"	383.149617	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+K"	39.970434
"1460630"	141.040017	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H+K"	39.970434
"251054"	526.253026	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+H"	42.033826
"1224979"	284.143426	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+H"	42.033826
"1209514"	142.575351	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+2H"	43.041102
"203884"	529.19036	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na-H"	44.97116
"643731"	771.29996	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na-H"	44.97116
"1146874"	287.08076	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na-H"	44.97116
"188339"	265.098818	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na"	45.978436
"624974"	386.153618	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na"	45.978436
"1130796"	144.044018	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na"	45.978436
"1412982"	96.365104	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H+2Na"	46.985712
"1444611"	289.122346	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H+HCOOH"	47.012746
"233572"	270.13184	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H2O+2H"	56.04448
"1523341"	303.17439	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+H"	61.06479
"423514"	273.085788	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na+K"	61.952376
"784266"	394.140588	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na+K"	61.952376
"1679254"	152.030988	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+K"	61.952376
"262614"	548.234968	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+Na"	64.015768
"1236415"	306.125368	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+Na"	64.015768
"1725665"	306.148893	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+HCOOH"	64.039293
"1190655"	103.692418	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+3Na"	68.967654
"1660548"	311.104288	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+HCOOH"	68.994688
"165221"	561.13824	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K-H"	76.91904
"609155"	803.24784	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K-H"	76.91904
"1091481"	319.02864	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2K-H"	76.91904
"155954"	281.072758	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K"	77.926316
"587858"	402.127558	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K"	77.926316
"1077838"	160.017958	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2K"	77.926316
"1112878"	321.043192	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2K+H"	78.933592
"1348170"	321.130807	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+DMSO+H"	79.021207
"1019256"	325.169976	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+H"	83.060376
"1536291"	326.163608	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+Na+H"	84.054008
"1004929"	163.088626	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+2H"	84.067652
"1601252"	327.078228	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+K+HCOOH"	84.968628
"1429096"	357.109738	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+H+CF3COOH"	115.000138
"1161937"	183.601901	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+3ACN+2H"	125.094202
"1711485"	374.136285	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+CF3COOH"	132.026685
"1643856"	379.09168	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+CF3COOH"	136.98208
"1574038"	395.06562	"C19450"	"4-Methylchrysene"	"C19H14"	"242.1096"	"M+K+CF3COOH"	152.95602
"815346"	242.1096	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M"	0
"988151"	223.09121	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-H2O-H"	-19.01839
"66184"	160.399124	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M-3H"	-3.021828
"505745"	241.102324	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M-3H"	-3.021828
"895436"	79.695924	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-3H"	-3.021828
"14157"	241.102324	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H"	-2.014552
"450437"	362.157124	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H"	-2.014552
"830791"	120.047524	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-2H"	-2.014552
"91878"	483.211924	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M-H"	-1.007276
"525602"	725.321524	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M-H"	-1.007276
"906690"	241.102324	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-H"	-1.007276
"54505"	500.238471	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+NH4"	16.019271
"497345"	742.348071	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+NH4"	16.019271
"872960"	258.128871	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+NH4"	16.019271
"45599"	505.193866	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+Na"	20.974666
"485523"	747.303466	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+Na"	20.974666
"860410"	263.084266	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+Na"	20.974666
"1632864"	263.084266	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Na-2H"	20.974666
"108784"	259.090663	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M-H+Cl"	33.962126
"547856"	380.145463	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M-H+Cl"	33.962126
"940643"	138.035863	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-H+Cl"	33.962126
"275917"	519.188602	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+Cl"	34.969402
"674300"	761.298202	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+Cl"	34.969402
"1286215"	277.079002	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl"	34.969402
"29863"	521.167806	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M-2H+K"	36.948606
"469426"	763.277406	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M-2H+K"	36.948606
"842852"	279.058206	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-2H+K"	36.948606
"1567433"	279.058206	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+K-2H"	36.948606
"949847"	287.107794	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-H+HCOOH"	44.998194
"372443"	529.217401	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+HCOOH-H"	44.998201
"356325"	543.233051	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+Hac-H"	59.013851
"1504067"	301.123451	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Hac-H"	59.013851
"962861"	309.089751	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-H+NaCOOH"	66.980151
"120151"	277.079002	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Cl"	69.938804
"562628"	398.133802	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Cl"	69.938804
"1029968"	156.024202	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2Cl"	69.938804
"1247361"	321.028485	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Br"	78.918885
"1315276"	323.084472	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+HCOOH"	80.974872
"1329491"	345.066429	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+NaCOOH"	102.956829
"918363"	355.095186	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M-H+CF3COOH"	112.985586
"1300538"	391.071864	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Cl+CF3COOH"	148.962264
"1381982"	207.096924	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H-2H2O"	-35.012676
"1392917"	225.1069	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H-H2O"	-17.0027
"287135"	485.226476	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+H"	1.007276
"680650"	727.336076	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+H"	1.007276
"1360280"	243.116876	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H"	1.007276
"128796"	243.116876	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+2H"	2.014552
"580772"	364.171676	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+2H"	2.014552
"1051988"	122.062076	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2H"	2.014552
"217104"	162.413676	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H"	3.021828
"648278"	243.116876	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+3H"	3.021828
"1169322"	81.710476	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+3H"	3.021828
"430770"	502.253023	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+NH4"	18.033823
"790305"	744.362623	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+NH4"	18.033823
"1686636"	260.143423	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4"	18.033823
"331633"	251.6301495	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+NH4"	19.041099
"731711"	372.6849495	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+NH4"	19.041099
"1485529"	130.5753495	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H+NH4"	19.041099
"398745"	507.208418	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na"	22.989218
"757555"	749.318018	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na"	22.989218
"1605656"	265.098818	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Na"	22.989218
"317880"	254.107847	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+Na"	23.996494
"711396"	375.162647	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+Na"	23.996494
"1469588"	133.053047	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H+Na"	23.996494
"1058459"	89.03779	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2H+Na"	25.00377
"1268888"	275.143086	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+CH3OH+H"	33.033486
"385278"	523.182358	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+K"	38.963158
"741901"	765.291958	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+K"	38.963158
"1545048"	281.072758	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+K"	38.963158
"303317"	262.094817	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+H+K"	39.970434
"697924"	383.149617	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+H+K"	39.970434
"1460256"	141.040017	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H+K"	39.970434
"249951"	526.253026	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+H"	42.033826
"1223994"	284.143426	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+H"	42.033826
"1207997"	142.575351	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+2H"	43.041102
"203064"	529.19036	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na-H"	44.97116
"643596"	771.29996	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na-H"	44.97116
"1146858"	287.08076	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na-H"	44.97116
"185520"	265.098818	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+2Na"	45.978436
"625205"	386.153618	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+2Na"	45.978436
"1130541"	144.044018	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2Na"	45.978436
"1412728"	96.365104	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H+2Na"	46.985712
"1444968"	289.122346	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H+HCOOH"	47.012746
"235397"	270.13184	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+3H2O+2H"	56.04448
"1523826"	303.17439	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+H"	61.06479
"424114"	273.085788	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+Na+K"	61.952376
"785515"	394.140588	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+Na+K"	61.952376
"1679731"	152.030988	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+K"	61.952376
"265767"	548.234968	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+ACN+Na"	64.015768
"1238716"	306.125368	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+ACN+Na"	64.015768
"1724322"	306.148893	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+HCOOH"	64.039293
"1191861"	103.692418	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+3Na"	68.967654
"1660658"	311.104288	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+HCOOH"	68.994688
"165331"	561.13824	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K-H"	76.91904
"609265"	803.24784	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K-H"	76.91904
"1090497"	319.02864	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2K-H"	76.91904
"155943"	281.072758	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"2M+2K"	77.926316
"586875"	402.127558	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"3M+2K"	77.926316
"1077948"	160.017958	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2K"	77.926316
"1112260"	321.043192	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2K+H"	78.933592
"1348279"	321.130807	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+DMSO+H"	79.021207
"1017907"	325.169976	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+H"	83.060376
"1538588"	326.163608	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+IsoProp+Na+H"	84.054008
"1000663"	163.088626	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+2ACN+2H"	84.067652
"1594069"	327.078228	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+K+HCOOH"	84.968628
"1425197"	357.109738	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+H+CF3COOH"	115.000138
"1158766"	183.601901	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+3ACN+2H"	125.094202
"1711233"	374.136285	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+NH4+CF3COOH"	132.026685
"1643966"	379.09168	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+Na+CF3COOH"	136.98208
"1574149"	395.06562	"C19451"	"6-Methylchrysene"	"C19H14"	"242.1096"	"M+K+CF3COOH"	152.95602
"811079"	165.0538	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M"	0
"982424"	146.03541	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-H2O-H"	-19.01839
"66295"	109.028590666667	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M-3H"	-3.021828
"509135"	164.046524	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M-3H"	-3.021828
"895211"	54.0106573333333	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-3H"	-3.021828
"14632"	164.046524	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M-2H"	-2.014552
"450547"	246.573424	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M-2H"	-2.014552
"830537"	81.519624	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-2H"	-2.014552
"92232"	329.100324	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M-H"	-1.007276
"524619"	494.154124	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M-H"	-1.007276
"908623"	164.046524	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-H"	-1.007276
"57895"	346.126871	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M-2H+NH4"	16.019271
"500371"	511.180671	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M-2H+NH4"	16.019271
"878782"	181.073071	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-2H+NH4"	16.019271
"45709"	351.082266	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M-2H+Na"	20.974666
"485269"	516.136066	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M-2H+Na"	20.974666
"862707"	186.028466	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-2H+Na"	20.974666
"1633217"	186.028466	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Na-2H"	20.974666
"109834"	182.034863	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M-H+Cl"	33.962126
"547966"	264.561763	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M-H+Cl"	33.962126
"939659"	99.507963	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-H+Cl"	33.962126
"276027"	365.077002	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+Cl"	34.969402
"674652"	530.130802	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+Cl"	34.969402
"1286325"	200.023202	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Cl"	34.969402
"28880"	367.056206	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M-2H+K"	36.948606
"468442"	532.110006	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M-2H+K"	36.948606
"844055"	202.002406	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-2H+K"	36.948606
"1566449"	202.002406	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+K-2H"	36.948606
"947769"	210.051994	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-H+HCOOH"	44.998194
"372553"	375.105801	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+HCOOH-H"	44.998201
"357529"	389.121451	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+Hac-H"	59.013851
"1503082"	224.067651	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Hac-H"	59.013851
"969169"	232.033951	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-H+NaCOOH"	66.980151
"118439"	200.023202	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+2Cl"	69.938804
"554719"	282.550102	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+2Cl"	69.938804
"1025704"	117.496302	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2Cl"	69.938804
"1246376"	243.972685	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Br"	78.918885
"1309918"	246.028672	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Cl+HCOOH"	80.974872
"1327414"	268.010629	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Cl+NaCOOH"	102.956829
"918473"	278.039386	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M-H+CF3COOH"	112.985586
"1299555"	314.016064	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Cl+CF3COOH"	148.962264
"1374438"	130.041124	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H-2H2O"	-35.012676
"1387560"	148.0511	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H-H2O"	-17.0027
"287245"	331.114876	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+H"	1.007276
"677480"	496.168676	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+H"	1.007276
"1352728"	166.061076	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H"	1.007276
"127441"	166.061076	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+2H"	2.014552
"581066"	248.587976	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+2H"	2.014552
"1047109"	83.534176	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2H"	2.014552
"217205"	111.043142666667	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+3H"	3.021828
"658833"	166.061076	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+3H"	3.021828
"1170526"	56.0252093333333	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+3H"	3.021828
"432702"	348.141423	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+NH4"	18.033823
"789686"	513.195223	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+NH4"	18.033823
"1684924"	183.087623	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+NH4"	18.033823
"331744"	174.5743495	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+H+NH4"	19.041099
"728175"	257.1012495	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+H+NH4"	19.041099
"1483454"	92.0474495	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H+NH4"	19.041099
"397763"	353.096818	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+Na"	22.989218
"759851"	518.150618	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+Na"	22.989218
"1606861"	188.043018	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Na"	22.989218
"320176"	177.052047	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+H+Na"	23.996494
"710411"	259.578947	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+H+Na"	23.996494
"1472978"	94.525147	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H+Na"	23.996494
"1061849"	63.3525233333333	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2H+Na"	25.00377
"1261344"	198.087286	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+CH3OH+H"	33.033486
"386481"	369.070758	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+K"	38.963158
"742011"	534.124558	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+K"	38.963158
"1546251"	204.016958	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+K"	38.963158
"303427"	185.039017	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+H+K"	39.970434
"698034"	267.565917	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+H+K"	39.970434
"1460122"	102.512117	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H+K"	39.970434
"250788"	372.141426	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+ACN+H"	42.033826
"1224713"	207.087626	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+ACN+H"	42.033826
"1208593"	104.047451	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+ACN+2H"	43.041102
"204104"	375.07876	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+2Na-H"	44.97116
"643583"	540.13256	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+2Na-H"	44.97116
"1146603"	210.02496	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2Na-H"	44.97116
"186843"	188.043018	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+2Na"	45.978436
"625680"	270.569918	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+2Na"	45.978436
"1130164"	105.516118	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2Na"	45.978436
"1413081"	70.6798373333333	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H+2Na"	46.985712
"1443612"	212.066546	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H+HCOOH"	47.012746
"235261"	193.07604	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+3H2O+2H"	56.04448
"1523807"	226.11859	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+IsoProp+H"	61.06479
"423612"	196.029988	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+Na+K"	61.952376
"784976"	278.556888	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+Na+K"	61.952376
"1679233"	113.503088	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Na+K"	61.952376
"265022"	394.123368	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+ACN+Na"	64.015768
"1238825"	229.069568	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+ACN+Na"	64.015768
"1725525"	229.093093	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+NH4+HCOOH"	64.039293
"1190878"	78.0071513333333	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+3Na"	68.967654
"1661862"	234.048488	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Na+HCOOH"	68.994688
"166534"	407.02664	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+2K-H"	76.91904
"608282"	572.08044	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+2K-H"	76.91904
"1089514"	241.97284	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2K-H"	76.91904
"156055"	204.016958	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"2M+2K"	77.926316
"586985"	286.543858	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"3M+2K"	77.926316
"1078058"	121.490058	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2K"	77.926316
"1112370"	243.987392	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2K+H"	78.933592
"1347659"	244.075007	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+DMSO+H"	79.021207
"1016192"	248.114176	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2ACN+H"	83.060376
"1537606"	249.107808	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+IsoProp+Na+H"	84.054008
"996398"	124.560726	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+2ACN+2H"	84.067652
"1591993"	250.022428	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+K+HCOOH"	84.968628
"1425308"	280.053938	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+H+CF3COOH"	115.000138
"1158876"	145.074001	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+3ACN+2H"	125.094202
"1711706"	297.080485	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+NH4+CF3COOH"	132.026685
"1644076"	302.03588	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+Na+CF3COOH"	136.98208
"1573166"	318.00982	"C19452"	"N-Methyl-N4-dinitrosoaniline;N4-Dinitrosomethylaniline"	"C7H7N3O2"	"165.0538"	"M+K+CF3COOH"	152.95602
"810096"	250.0742	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M"	0
"982534"	231.05581	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-H2O-H"	-19.01839
"65312"	165.708857333333	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M-3H"	-3.021828
"509245"	249.066924	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M-3H"	-3.021828
"892885"	82.3507906666667	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-3H"	-3.021828
"10000"	249.066924	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M-2H"	-2.014552
"450657"	374.104024	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M-2H"	-2.014552
"831011"	124.029824	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-2H"	-2.014552
"92827"	499.141124	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M-H"	-1.007276
"524729"	749.215324	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M-H"	-1.007276
"908733"	249.066924	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-H"	-1.007276
"58005"	516.167671	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M-2H+NH4"	16.019271
"500481"	766.241871	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M-2H+NH4"	16.019271
"878283"	266.093471	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-2H+NH4"	16.019271
"45455"	521.123066	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M-2H+Na"	20.974666
"486472"	771.197266	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M-2H+Na"	20.974666
"862453"	271.048866	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-2H+Na"	20.974666
"1632718"	271.048866	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Na-2H"	20.974666
"109449"	267.055263	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M-H+Cl"	33.962126
"548805"	392.092363	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M-H+Cl"	33.962126
"935393"	142.018163	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-H+Cl"	33.962126
"272855"	535.117802	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+Cl"	34.969402
"673910"	785.192002	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+Cl"	34.969402
"1285341"	285.043602	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Cl"	34.969402
"27896"	537.097006	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M-2H+K"	36.948606
"469645"	787.171206	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M-2H+K"	36.948606
"844164"	287.022806	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-2H+K"	36.948606
"1566559"	287.022806	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+K-2H"	36.948606
"945327"	295.072394	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-H+HCOOH"	44.998194
"372663"	545.146601	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+HCOOH-H"	44.998201
"358731"	559.162251	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+Hac-H"	59.013851
"1503192"	309.088051	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Hac-H"	59.013851
"968186"	317.054351	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-H+NaCOOH"	66.980151
"115269"	285.043602	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+2Cl"	69.938804
"552642"	410.080702	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+2Cl"	69.938804
"1026908"	160.006502	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2Cl"	69.938804
"1248673"	328.993085	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Br"	78.918885
"1308935"	331.049072	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Cl+HCOOH"	80.974872
"1326431"	353.031029	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Cl+NaCOOH"	102.956829
"917490"	363.059786	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M-H+CF3COOH"	112.985586
"1298572"	399.036464	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Cl+CF3COOH"	148.962264
"1374548"	215.061524	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H-2H2O"	-35.012676
"1388763"	233.0715	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H-H2O"	-17.0027
"287355"	501.155676	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+H"	1.007276
"678683"	751.229876	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+H"	1.007276
"1353203"	251.081476	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H"	1.007276
"127671"	251.081476	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+2H"	2.014552
"576233"	376.118576	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+2H"	2.014552
"1043937"	126.044376	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2H"	2.014552
"218039"	167.723409333333	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+3H"	3.021828
"657244"	251.081476	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+3H"	3.021828
"1171728"	84.3653426666667	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+3H"	3.021828
"437187"	518.182223	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+NH4"	18.033823
"786632"	768.256423	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+NH4"	18.033823
"1684668"	268.108023	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+NH4"	18.033823
"334042"	259.5947495	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+H+NH4"	19.041099
"725733"	384.6318495	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+H+NH4"	19.041099
"1479918"	134.5576495	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H+NH4"	19.041099
"394952"	523.137618	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+Na"	22.989218
"755586"	773.211818	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+Na"	22.989218
"1604898"	273.063418	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Na"	22.989218
"320283"	262.072447	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+H+Na"	23.996494
"712704"	387.109547	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+H+Na"	23.996494
"1466524"	137.035347	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H+Na"	23.996494
"1058676"	91.6926566666667	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2H+Na"	25.00377
"1261451"	283.107686	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+CH3OH+H"	33.033486
"380393"	539.111558	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+K"	38.963158
"740658"	789.185758	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+K"	38.963158
"1545266"	289.037358	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+K"	38.963158
"305722"	270.059417	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+H+K"	39.970434
"704341"	395.096517	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+H+K"	39.970434
"1458161"	145.022317	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H+K"	39.970434
"250857"	542.182226	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+ACN+H"	42.033826
"1225309"	292.108026	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+ACN+H"	42.033826
"1209603"	146.557651	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+ACN+2H"	43.041102
"204051"	545.11956	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+2Na-H"	44.97116
"643077"	795.19376	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+2Na-H"	44.97116
"1145121"	295.04536	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2Na-H"	44.97116
"186590"	273.063418	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+2Na"	45.978436
"625790"	398.100518	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+2Na"	45.978436
"1130879"	148.026318	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2Na"	45.978436
"1413430"	99.0199706666667	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H+2Na"	46.985712
"1444572"	297.086946	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H+HCOOH"	47.012746
"235649"	278.09644	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+3H2O+2H"	56.04448
"1523957"	311.13899	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+IsoProp+H"	61.06479
"424048"	281.050388	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+Na+K"	61.952376
"785199"	406.087488	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+Na+K"	61.952376
"1679707"	156.013288	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Na+K"	61.952376
"264039"	564.164168	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+ACN+Na"	64.015768
"1238934"	314.089968	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+ACN+Na"	64.015768
"1726726"	314.113493	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+NH4+HCOOH"	64.039293
"1192081"	106.347284666667	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+3Na"	68.967654
"1659784"	319.068888	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Na+HCOOH"	68.994688
"166643"	577.06744	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+2K-H"	76.91904
"605111"	827.14164	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+2K-H"	76.91904
"1093997"	326.99324	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2K-H"	76.91904
"156162"	289.037358	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"2M+2K"	77.926316
"587095"	414.074458	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"3M+2K"	77.926316
"1078168"	164.000258	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2K"	77.926316
"1111387"	329.007792	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2K+H"	78.933592
"1347768"	329.095407	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+DMSO+H"	79.021207
"1017395"	333.134576	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2ACN+H"	83.060376
"1537716"	334.128208	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+IsoProp+Na+H"	84.054008
"996508"	167.070926	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+2ACN+2H"	84.067652
"1592103"	335.042828	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+K+HCOOH"	84.968628
"1425418"	365.074338	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+H+CF3COOH"	115.000138
"1158986"	187.584201	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+3ACN+2H"	125.094202
"1711816"	382.100885	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+NH4+CF3COOH"	132.026685
"1644186"	387.05628	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+Na+CF3COOH"	136.98208
"1573276"	403.03022	"C19453"	"44-Methylenediphenyl diisocyanate;Methylenebisphenyl diisocyanate"	"C15H10N2O2"	"250.0742"	"M+K+CF3COOH"	152.95602
"815552"	216.0939	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M"	0
"981551"	197.07551	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H2O-H"	-19.01839
"74170"	143.055324	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-3H"	-3.021828
"513730"	215.086624	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-3H"	-3.021828
"890440"	71.024024	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-3H"	-3.021828
"12297"	215.086624	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H"	-2.014552
"455607"	323.133574	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H"	-2.014552
"832216"	107.039674	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H"	-2.014552
"92938"	431.180524	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-H"	-1.007276
"527027"	647.274424	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-H"	-1.007276
"905927"	215.086624	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H"	-1.007276
"58115"	448.207071	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H+NH4"	16.019271
"502173"	664.300971	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H+NH4"	16.019271
"879001"	232.113171	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H+NH4"	16.019271
"44470"	453.162466	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H+Na"	20.974666
"484395"	669.256366	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H+Na"	20.974666
"863498"	237.068566	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H+Na"	20.974666
"1634050"	237.068566	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na-2H"	20.974666
"108627"	233.074963	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-H+Cl"	33.962126
"547822"	341.121913	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-H+Cl"	33.962126
"935503"	125.028013	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+Cl"	33.962126
"270413"	467.157202	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Cl"	34.969402
"671956"	683.251102	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+Cl"	34.969402
"1285451"	251.063302	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl"	34.969402
"28006"	469.136406	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H+K"	36.948606
"470243"	685.230306	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H+K"	36.948606
"843181"	253.042506	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H+K"	36.948606
"1566669"	253.042506	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K-2H"	36.948606
"950177"	261.092094	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+HCOOH"	44.998194
"372773"	477.186001	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+HCOOH-H"	44.998201
"359934"	491.201651	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Hac-H"	59.013851
"1505489"	275.107751	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Hac-H"	59.013851
"971212"	283.074051	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+NaCOOH"	66.980151
"118659"	251.063302	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2Cl"	69.938804
"562594"	359.110252	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2Cl"	69.938804
"1032487"	143.016352	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2Cl"	69.938804
"1252065"	295.012785	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Br"	78.918885
"1315605"	297.068772	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl+HCOOH"	80.974872
"1330914"	319.050729	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl+NaCOOH"	102.956829
"920880"	329.079486	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+CF3COOH"	112.985586
"1298682"	365.056164	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl+CF3COOH"	148.962264
"1374658"	181.081224	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H-2H2O"	-35.012676
"1388873"	199.0912	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H-H2O"	-17.0027
"287465"	433.195076	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H"	1.007276
"679886"	649.288976	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H"	1.007276
"1352953"	217.101176	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H"	1.007276
"128028"	217.101176	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2H"	2.014552
"576343"	325.148126	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2H"	2.014552
"1044047"	109.054226	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2H"	2.014552
"214139"	145.069876	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+3H"	3.021828
"658932"	217.101176	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+3H"	3.021828
"1175118"	73.038576	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+3H"	3.021828
"438390"	450.221623	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+NH4"	18.033823
"793918"	666.315523	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+NH4"	18.033823
"1689154"	234.127723	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+NH4"	18.033823
"338528"	225.6144495	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H+NH4"	19.041099
"728760"	333.6613995	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H+NH4"	19.041099
"1483675"	117.5674995	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+NH4"	19.041099
"396156"	455.177018	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Na"	22.989218
"756790"	671.270918	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+Na"	22.989218
"1607073"	239.083118	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na"	22.989218
"319300"	228.092147	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H+Na"	23.996494
"709534"	336.139097	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H+Na"	23.996494
"1472101"	120.045197	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+Na"	23.996494
"1062067"	80.36589	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2H+Na"	25.00377
"1265935"	249.127386	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+CH3OH+H"	33.033486
"384512"	471.150958	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+K"	38.963158
"748787"	687.244858	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+K"	38.963158
"1550844"	255.057058	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K"	38.963158
"312030"	236.079117	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H+K"	39.970434
"704450"	344.126067	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H+K"	39.970434
"1460093"	128.032167	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+K"	39.970434
"250643"	474.221626	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+ACN+H"	42.033826
"1225551"	258.127726	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+ACN+H"	42.033826
"1209899"	129.567501	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+ACN+2H"	43.041102
"204246"	477.15896	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2Na-H"	44.97116
"643551"	693.25286	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2Na-H"	44.97116
"1146166"	261.06506	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2Na-H"	44.97116
"185608"	239.083118	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2Na"	45.978436
"626629"	347.130068	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2Na"	45.978436
"1131329"	131.036168	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2Na"	45.978436
"1414026"	87.693204	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+2Na"	46.985712
"1445510"	263.106646	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+HCOOH"	47.012746
"233648"	244.11614	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+3H2O+2H"	56.04448
"1524101"	277.15869	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+IsoProp+H"	61.06479
"423218"	247.070088	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Na+K"	61.952376
"784944"	355.117038	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+Na+K"	61.952376
"1679814"	139.023138	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na+K"	61.952376
"265242"	496.203568	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+ACN+Na"	64.015768
"1237950"	280.109668	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+ACN+Na"	64.015768
"1727929"	280.133193	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+NH4+HCOOH"	64.039293
"1194097"	95.020518	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+3Na"	68.967654
"1662081"	285.088588	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na+HCOOH"	68.994688
"170033"	509.10684	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2K-H"	76.91904
"606314"	725.20074	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2K-H"	76.91904
"1089732"	293.01294	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2K-H"	76.91904
"156031"	255.057058	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2K"	77.926316
"590484"	363.104008	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2K"	77.926316
"1077184"	147.010108	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2K"	77.926316
"1112590"	295.027492	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2K+H"	78.933592
"1349216"	295.115107	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+DMSO+H"	79.021207
"1017507"	299.154276	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2ACN+H"	83.060376
"1531264"	300.147908	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+IsoProp+Na+H"	84.054008
"992242"	150.080776	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2ACN+2H"	84.067652
"1595493"	301.062528	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K+HCOOH"	84.968628
"1427352"	331.094038	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+CF3COOH"	115.000138
"1160555"	170.594051	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+3ACN+2H"	125.094202
"1711927"	348.120585	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+NH4+CF3COOH"	132.026685
"1644296"	353.07598	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na+CF3COOH"	136.98208
"1574479"	369.04992	"C19454"	"2-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K+CF3COOH"	152.95602
"812503"	216.0939	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M"	0
"983848"	197.07551	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H2O-H"	-19.01839
"74281"	143.055324	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-3H"	-3.021828
"510560"	215.086624	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-3H"	-3.021828
"891645"	71.024024	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-3H"	-3.021828
"14233"	215.086624	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H"	-2.014552
"455137"	323.133574	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H"	-2.014552
"832086"	107.039674	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H"	-2.014552
"90495"	431.180524	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-H"	-1.007276
"529326"	647.274424	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-H"	-1.007276
"899475"	215.086624	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H"	-1.007276
"55673"	448.207071	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H+NH4"	16.019271
"495599"	664.300971	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H+NH4"	16.019271
"874494"	232.113171	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H+NH4"	16.019271
"38020"	453.162466	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H+Na"	20.974666
"476486"	669.256366	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H+Na"	20.974666
"863039"	237.068566	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H+Na"	20.974666
"1631844"	237.068566	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na-2H"	20.974666
"105819"	233.074963	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-H+Cl"	33.962126
"538817"	341.121913	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-H+Cl"	33.962126
"932333"	125.028013	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+Cl"	33.962126
"270887"	467.157202	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Cl"	34.969402
"670972"	683.251102	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+Cl"	34.969402
"1281187"	251.063302	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl"	34.969402
"27024"	469.136406	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M-2H+K"	36.948606
"470476"	685.230306	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M-2H+K"	36.948606
"845478"	253.042506	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-2H+K"	36.948606
"1564592"	253.042506	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K-2H"	36.948606
"948100"	261.092094	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+HCOOH"	44.998194
"373976"	477.186001	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+HCOOH-H"	44.998201
"358952"	491.201651	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Hac-H"	59.013851
"1504141"	275.107751	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Hac-H"	59.013851
"971322"	283.074051	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+NaCOOH"	66.980151
"117676"	251.063302	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2Cl"	69.938804
"561975"	359.110252	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2Cl"	69.938804
"1032596"	143.016352	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2Cl"	69.938804
"1250716"	295.012785	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Br"	78.918885
"1313528"	297.068772	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl+HCOOH"	80.974872
"1329931"	319.050729	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl+NaCOOH"	102.956829
"918803"	329.079486	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M-H+CF3COOH"	112.985586
"1295512"	365.056164	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Cl+CF3COOH"	148.962264
"1372580"	181.081224	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H-2H2O"	-35.012676
"1387890"	199.0912	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H-H2O"	-17.0027
"285388"	433.195076	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H"	1.007276
"679996"	649.288976	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H"	1.007276
"1355250"	217.101176	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H"	1.007276
"127771"	217.101176	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2H"	2.014552
"574267"	325.148126	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2H"	2.014552
"1044157"	109.054226	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2H"	2.014552
"210969"	145.069876	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+3H"	3.021828
"656009"	217.101176	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+3H"	3.021828
"1175228"	73.038576	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+3H"	3.021828
"436313"	450.221623	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+NH4"	18.033823
"794028"	666.315523	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+NH4"	18.033823
"1691453"	234.127723	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+NH4"	18.033823
"337544"	225.6144495	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H+NH4"	19.041099
"724859"	333.6613995	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H+NH4"	19.041099
"1482691"	117.5674995	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+NH4"	19.041099
"396996"	455.177018	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Na"	22.989218
"756900"	671.270918	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+Na"	22.989218
"1606091"	239.083118	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na"	22.989218
"319410"	228.092147	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H+Na"	23.996494
"709644"	336.139097	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H+Na"	23.996494
"1464557"	120.045197	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+Na"	23.996494
"1061084"	80.36589	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2H+Na"	25.00377
"1262766"	249.127386	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+CH3OH+H"	33.033486
"385716"	471.150958	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+K"	38.963158
"748897"	687.244858	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+K"	38.963158
"1551682"	255.057058	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K"	38.963158
"311775"	236.079117	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+H+K"	39.970434
"706304"	344.126067	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+H+K"	39.970434
"1459838"	128.032167	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+K"	39.970434
"250631"	474.221626	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+ACN+H"	42.033826
"1225292"	258.127726	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+ACN+H"	42.033826
"1209763"	129.567501	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+ACN+2H"	43.041102
"204101"	477.15896	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2Na-H"	44.97116
"643297"	693.25286	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2Na-H"	44.97116
"1143153"	261.06506	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2Na-H"	44.97116
"185350"	239.083118	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2Na"	45.978436
"628320"	347.130068	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2Na"	45.978436
"1131334"	131.036168	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2Na"	45.978436
"1414057"	87.693204	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+2Na"	46.985712
"1443696"	263.106646	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+HCOOH"	47.012746
"232664"	244.11614	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+3H2O+2H"	56.04448
"1523604"	277.15869	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+IsoProp+H"	61.06479
"422233"	247.070088	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+Na+K"	61.952376
"784325"	355.117038	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+Na+K"	61.952376
"1676279"	139.023138	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na+K"	61.952376
"266081"	496.203568	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+ACN+Na"	64.015768
"1239153"	280.109668	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+ACN+Na"	64.015768
"1727999"	280.133193	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+NH4+HCOOH"	64.039293
"1192300"	95.020518	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+3Na"	68.967654
"1660004"	285.088588	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na+HCOOH"	68.994688
"170143"	509.10684	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2K-H"	76.91904
"607517"	725.20074	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2K-H"	76.91904
"1089842"	293.01294	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2K-H"	76.91904
"155412"	255.057058	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"2M+2K"	77.926316
"589501"	363.104008	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"3M+2K"	77.926316
"1076201"	147.010108	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2K"	77.926316
"1110513"	295.027492	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2K+H"	78.933592
"1346895"	295.115107	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+DMSO+H"	79.021207
"1017253"	299.154276	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2ACN+H"	83.060376
"1533561"	300.147908	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+IsoProp+Na+H"	84.054008
"992352"	150.080776	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+2ACN+2H"	84.067652
"1593417"	301.062528	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K+HCOOH"	84.968628
"1427462"	331.094038	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+H+CF3COOH"	115.000138
"1160298"	170.594051	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+3ACN+2H"	125.094202
"1710943"	348.120585	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+NH4+CF3COOH"	132.026685
"1641126"	353.07598	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+Na+CF3COOH"	136.98208
"1572403"	369.04992	"C19455"	"3-Methylfluoranthene"	"C17H12"	"216.0939"	"M+K+CF3COOH"	152.95602
"811519"	101.0477	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M"	0
"982864"	82.02931	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"74391"	66.3578573333333	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"513950"	100.040424	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"891755"	32.6752906666667	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"14586"	100.040424	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"454885"	150.564274	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"831955"	49.516574	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"91698"	201.088124	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"530894"	302.135824	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"903960"	100.040424	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"60280"	218.114671	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"500327"	319.162371	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"876790"	117.066971	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"39223"	223.070066	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"476596"	324.117766	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"862054"	122.022366	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1633291"	122.022366	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"107022"	118.028763	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"538926"	168.552613	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"932807"	67.504913	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"274277"	237.064802	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"668896"	338.112502	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1284578"	136.017102	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"28228"	239.044006	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"468762"	340.091706	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"845588"	137.996306	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1563608"	137.996306	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"947113"	146.045894	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"363871"	247.093601	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"350309"	261.109251	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1496589"	160.061551	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"972161"	168.027851	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"122890"	136.017102	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"562816"	186.540952	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1036352"	85.493252	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1249004"	179.966585	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1314732"	182.022572	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1331135"	204.004529	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"921100"	214.033286	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1296715"	250.009964	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1375971"	66.035024	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1392373"	84.045	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"286591"	203.102676	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"680106"	304.150376	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1356453"	102.054976	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"128976"	102.054976	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"573284"	152.578826	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1045360"	51.531126	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"211078"	68.3724093333333	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"656119"	102.054976	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1177524"	34.6898426666667	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"437516"	220.129223	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"794139"	321.176923	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1690471"	119.081523	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"338749"	110.5682495	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"726793"	161.0920995	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1482802"	60.0443995	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"399295"	225.084618	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"761383"	326.132318	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1608390"	124.036918	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"320615"	113.045947	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"716316"	163.569797	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1467949"	62.522097	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1062290"	42.0171566666667	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1266157"	134.081186	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"386920"	241.058558	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"746821"	342.106258	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1545596"	140.010858	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"312737"	121.032917	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"706823"	171.556767	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1461247"	70.509067	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"250865"	244.129226	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1224907"	143.081526	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1208791"	72.044401	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"203570"	247.06656	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"642679"	348.11426	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1143263"	146.01886	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"185460"	124.036918	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"626975"	174.560768	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1130846"	73.513068	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1413155"	49.3444706666667	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1444176"	148.060446	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"233507"	129.06994	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1523022"	162.11249	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"420518"	132.023888	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"784073"	182.547738	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1676753"	81.500038	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"265100"	266.111168	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1237076"	165.063468	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1725966"	165.086993	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1191683"	56.6717846666667	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1662299"	170.042388	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"166972"	279.01444	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"601066"	380.06214	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1089952"	177.96674	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"154431"	140.010858	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"590704"	190.534708	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1078497"	89.487008	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1105155"	179.981292	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1343725"	180.068907	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1015540"	184.108076	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1534766"	185.101708	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"993556"	92.557676	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1595714"	186.016328	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1424656"	216.047838	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1159315"	113.070951	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1707773"	233.074385	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1641236"	238.02978	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1572513"	254.00372	"C19456"	"N-Methylolacrylamide;N-(Hydroxymethyl)acrylamide"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"812722"	192.0939	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M"	0
"984067"	173.07551	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-H2O-H"	-19.01839
"73406"	127.055324	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M-3H"	-3.021828
"511872"	191.086624	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M-3H"	-3.021828
"894051"	63.024024	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-3H"	-3.021828
"14453"	191.086624	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M-2H"	-2.014552
"453281"	287.133574	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M-2H"	-2.014552
"832302"	95.039674	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-2H"	-2.014552
"92173"	383.180524	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M-H"	-1.007276
"529545"	575.274424	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M-H"	-1.007276
"905163"	191.086624	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-H"	-1.007276
"60266"	400.207071	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M-2H+NH4"	16.019271
"499461"	592.300971	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M-2H+NH4"	16.019271
"876900"	208.113171	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-2H+NH4"	16.019271
"39333"	405.162466	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M-2H+Na"	20.974666
"476706"	597.256366	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M-2H+Na"	20.974666
"863262"	213.068566	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-2H+Na"	20.974666
"1633285"	213.068566	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Na-2H"	20.974666
"106039"	209.074963	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M-H+Cl"	33.962126
"540130"	305.121913	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M-H+Cl"	33.962126
"932917"	113.028013	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-H+Cl"	33.962126
"274387"	419.157202	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+Cl"	34.969402
"665725"	611.251102	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+Cl"	34.969402
"1280314"	227.063302	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Cl"	34.969402
"26150"	421.136406	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M-2H+K"	36.948606
"466804"	613.230306	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M-2H+K"	36.948606
"843511"	229.042506	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-2H+K"	36.948606
"1566998"	229.042506	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+K-2H"	36.948606
"947224"	237.092094	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-H+HCOOH"	44.998194
"365073"	429.186001	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+HCOOH-H"	44.998201
"350419"	443.201651	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+Hac-H"	59.013851
"1497064"	251.107751	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Hac-H"	59.013851
"972272"	259.074051	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-H+NaCOOH"	66.980151
"120084"	227.063302	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+2Cl"	69.938804
"561830"	323.110252	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+2Cl"	69.938804
"1028443"	131.016352	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2Cl"	69.938804
"1254582"	271.012785	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Br"	78.918885
"1317030"	273.068772	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Cl+HCOOH"	80.974872
"1334286"	295.050729	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Cl+NaCOOH"	102.956829
"922304"	305.079486	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M-H+CF3COOH"	112.985586
"1300105"	341.056164	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Cl+CF3COOH"	148.962264
"1376081"	157.081224	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H-2H2O"	-35.012676
"1393577"	175.0912	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H-H2O"	-17.0027
"288888"	385.195076	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+H"	1.007276
"685683"	577.288976	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+H"	1.007276
"1356563"	193.101176	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H"	1.007276
"128358"	193.101176	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+2H"	2.014552
"573394"	289.148126	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+2H"	2.014552
"1043286"	97.054226	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2H"	2.014552
"209366"	129.069876	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+3H"	3.021828
"652949"	193.101176	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+3H"	3.021828
"1173261"	65.038576	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+3H"	3.021828
"433254"	402.221623	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+NH4"	18.033823
"792062"	594.315523	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+NH4"	18.033823
"1688393"	210.127723	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+NH4"	18.033823
"337764"	201.6144495	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+H+NH4"	19.041099
"731276"	297.6613995	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+H+NH4"	19.041099
"1481818"	105.5674995	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H+NH4"	19.041099
"399405"	407.177018	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+Na"	22.989218
"760401"	599.270918	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+Na"	22.989218
"1611782"	215.083118	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Na"	22.989218
"321818"	204.092147	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+H+Na"	23.996494
"715334"	300.139097	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+H+Na"	23.996494
"1468059"	108.045197	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H+Na"	23.996494
"1063496"	72.36589	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2H+Na"	25.00377
"1267360"	225.127386	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+CH3OH+H"	33.033486
"388489"	423.150958	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+K"	38.963158
"750942"	615.244858	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+K"	38.963158
"1552267"	231.057058	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+K"	38.963158
"311632"	212.079117	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+H+K"	39.970434
"706607"	308.126067	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+H+K"	39.970434
"1459696"	116.032167	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H+K"	39.970434
"250852"	426.221626	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+ACN+H"	42.033826
"1225024"	234.127726	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+ACN+H"	42.033826
"1209266"	117.567501	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+ACN+2H"	43.041102
"203552"	429.15896	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+2Na-H"	44.97116
"642544"	621.25286	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+2Na-H"	44.97116
"1144100"	237.06506	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2Na-H"	44.97116
"183379"	215.083118	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+2Na"	45.978436
"627696"	311.130068	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+2Na"	45.978436
"1129733"	119.036168	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2Na"	45.978436
"1413877"	79.693204	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H+2Na"	46.985712
"1444650"	239.106646	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H+HCOOH"	47.012746
"234343"	220.11614	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+3H2O+2H"	56.04448
"1523134"	253.15869	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+IsoProp+H"	61.06479
"422451"	223.070088	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+Na+K"	61.952376
"784910"	319.117038	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+Na+K"	61.952376
"1676863"	127.023138	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Na+K"	61.952376
"265211"	448.203568	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+ACN+Na"	64.015768
"1238645"	256.109668	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+ACN+Na"	64.015768
"1726437"	256.133193	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+NH4+HCOOH"	64.039293
"1192888"	87.020518	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+3Na"	68.967654
"1664596"	261.088588	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Na+HCOOH"	68.994688
"163802"	461.10684	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+2K-H"	76.91904
"601176"	653.20074	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+2K-H"	76.91904
"1090062"	269.01294	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2K-H"	76.91904
"155631"	231.057058	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"2M+2K"	77.926316
"590814"	327.104008	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"3M+2K"	77.926316
"1073139"	135.010108	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2K"	77.926316
"1112562"	271.027492	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2K+H"	78.933592
"1346028"	271.115107	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+DMSO+H"	79.021207
"1018934"	275.154276	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2ACN+H"	83.060376
"1536695"	276.147908	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+IsoProp+Na+H"	84.054008
"993667"	138.080776	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+2ACN+2H"	84.067652
"1593640"	277.062528	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+K+HCOOH"	84.968628
"1420390"	307.094038	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+H+CF3COOH"	115.000138
"1158332"	158.594051	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+3ACN+2H"	125.094202
"1707884"	324.120585	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+NH4+CF3COOH"	132.026685
"1644627"	329.07598	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+Na+CF3COOH"	136.98208
"1575903"	345.04992	"C19457"	"1-Methylphenanthrene"	"C15H12"	"192.0939"	"M+K+CF3COOH"	152.95602
"812832"	251.0582	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M"	0
"983084"	232.03981	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-H2O-H"	-19.01839
"73515"	166.364857333333	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M-3H"	-3.021828
"515262"	250.050924	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M-3H"	-3.021828
"887598"	82.6787906666667	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-3H"	-3.021828
"14563"	250.050924	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M-2H"	-2.014552
"454484"	375.580024	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M-2H"	-2.014552
"832413"	124.521824	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-2H"	-2.014552
"92283"	501.109124	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M-H"	-1.007276
"529655"	752.167324	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M-H"	-1.007276
"907459"	250.050924	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-H"	-1.007276
"58553"	518.135671	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M-2H+NH4"	16.019271
"498842"	769.193871	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M-2H+NH4"	16.019271
"877010"	267.077471	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-2H+NH4"	16.019271
"42723"	523.091066	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M-2H+Na"	20.974666
"479002"	774.149266	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M-2H+Na"	20.974666
"863819"	272.032866	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-2H+Na"	20.974666
"1633473"	272.032866	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Na-2H"	20.974666
"107242"	268.039263	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M-H+Cl"	33.962126
"542427"	393.568363	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M-H+Cl"	33.962126
"932663"	142.510163	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-H+Cl"	33.962126
"278871"	537.085802	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+Cl"	34.969402
"668022"	788.144002	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+Cl"	34.969402
"1283704"	286.027602	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Cl"	34.969402
"28447"	539.065006	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M-2H+K"	36.948606
"468007"	790.123206	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M-2H+K"	36.948606
"843621"	288.006806	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-2H+K"	36.948606
"1568202"	288.006806	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+K-2H"	36.948606
"948429"	296.056394	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-H+HCOOH"	44.998194
"365549"	547.114601	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+HCOOH-H"	44.998201
"348339"	561.130251	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+Hac-H"	59.013851
"1499360"	310.072051	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Hac-H"	59.013851
"972377"	318.038351	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-H+NaCOOH"	66.980151
"124201"	286.027602	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+2Cl"	69.938804
"564859"	411.556702	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+2Cl"	69.938804
"1036086"	160.498502	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2Cl"	69.938804
"1256150"	329.977085	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Br"	78.918885
"1317139"	332.033072	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Cl+HCOOH"	80.974872
"1334762"	354.015029	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Cl+NaCOOH"	102.956829
"923507"	364.043786	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M-H+CF3COOH"	112.985586
"1303132"	400.020464	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Cl+CF3COOH"	148.962264
"1376191"	216.045524	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H-2H2O"	-35.012676
"1394780"	234.0555	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H-H2O"	-17.0027
"288998"	503.123676	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+H"	1.007276
"683606"	754.181876	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+H"	1.007276
"1359953"	252.065476	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H"	1.007276
"128468"	252.065476	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+2H"	2.014552
"577877"	377.594576	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+2H"	2.014552
"1044489"	126.536376	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2H"	2.014552
"211297"	168.379409333333	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+3H"	3.021828
"656337"	252.065476	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+3H"	3.021828
"1173370"	84.6933426666667	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+3H"	3.021828
"434457"	520.150223	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+NH4"	18.033823
"797640"	771.208423	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+NH4"	18.033823
"1688502"	269.092023	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+NH4"	18.033823
"333501"	260.5787495	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+H+NH4"	19.041099
"728105"	386.1078495	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+H+NH4"	19.041099
"1479371"	135.0496495	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H+NH4"	19.041099
"399515"	525.105618	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+Na"	22.989218
"758323"	776.163818	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+Na"	22.989218
"1610801"	274.047418	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Na"	22.989218
"323026"	263.056447	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+H+Na"	23.996494
"714353"	388.585547	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+H+Na"	23.996494
"1473275"	137.527347	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H+Na"	23.996494
"1063242"	92.0206566666667	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2H+Na"	25.00377
"1264192"	284.091686	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+CH3OH+H"	33.033486
"388962"	541.079558	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+K"	38.963158
"751053"	792.137758	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+K"	38.963158
"1554200"	290.021358	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+K"	38.963158
"313811"	271.043417	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+H+K"	39.970434
"707036"	396.572517	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+H+K"	39.970434
"1460170"	145.514317	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H+K"	39.970434
"250928"	544.150226	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+ACN+H"	42.033826
"1225094"	293.092026	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+ACN+H"	42.033826
"1209012"	147.049651	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+ACN+2H"	43.041102
"203337"	547.08756	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+2Na-H"	44.97116
"643257"	798.14576	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+2Na-H"	44.97116
"1144575"	296.02936	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2Na-H"	44.97116
"184582"	274.047418	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+2Na"	45.978436
"627321"	399.576518	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+2Na"	45.978436
"1130941"	148.518318	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2Na"	45.978436
"1413137"	99.3479706666667	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H+2Na"	46.985712
"1445411"	298.070946	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H+HCOOH"	47.012746
"235430"	279.08044	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+3H2O+2H"	56.04448
"1523650"	312.12299	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+IsoProp+H"	61.06479
"421832"	282.034388	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+Na+K"	61.952376
"780639"	407.563488	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+Na+K"	61.952376
"1678795"	156.505288	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Na+K"	61.952376
"265810"	566.132168	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+ACN+Na"	64.015768
"1239489"	315.073968	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+ACN+Na"	64.015768
"1727276"	315.097493	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+NH4+HCOOH"	64.039293
"1193362"	106.675284666667	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+3Na"	68.967654
"1665193"	320.052888	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Na+HCOOH"	68.994688
"163912"	579.03544	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+2K-H"	76.91904
"601286"	830.09364	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+2K-H"	76.91904
"1090172"	327.97724	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2K-H"	76.91904
"153554"	290.021358	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"2M+2K"	77.926316
"590924"	415.550458	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"3M+2K"	77.926316
"1074342"	164.492258	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2K"	77.926316
"1111212"	329.991792	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2K+H"	78.933592
"1349417"	330.079407	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+DMSO+H"	79.021207
"1019409"	334.118576	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2ACN+H"	83.060376
"1537899"	335.112208	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+IsoProp+Na+H"	84.054008
"994872"	167.562926	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+2ACN+2H"	84.067652
"1597030"	336.026828	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+K+HCOOH"	84.968628
"1422688"	366.058338	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+H+CF3COOH"	115.000138
"1157350"	188.076201	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+3ACN+2H"	125.094202
"1705807"	383.084885	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+NH4+CF3COOH"	132.026685
"1643644"	388.04028	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+Na+CF3COOH"	136.98208
"1576013"	404.01422	"C19458"	"7-Methylpyrido34-cpsoralen"	"C15H9NO3"	"251.0582"	"M+K+CF3COOH"	152.95602
"815130"	269.1164	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M"	0
"988663"	250.09801	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-H2O-H"	-19.01839
"74718"	178.403657333333	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M-3H"	-3.021828
"513185"	268.109124	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M-3H"	-3.021828
"884425"	88.6981906666667	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-3H"	-3.021828
"2998"	268.109124	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M-2H"	-2.014552
"449123"	402.667324	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M-2H"	-2.014552
"830943"	133.550924	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-2H"	-2.014552
"90207"	537.225524	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M-H"	-1.007276
"529765"	806.341924	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M-H"	-1.007276
"905382"	268.109124	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-H"	-1.007276
"56476"	554.252071	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M-2H+NH4"	16.019271
"493848"	823.368471	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M-2H+NH4"	16.019271
"871652"	285.135671	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-2H+NH4"	16.019271
"37364"	559.207466	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M-2H+Na"	20.974666
"480204"	828.323866	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M-2H+Na"	20.974666
"858008"	290.091066	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-2H+Na"	20.974666
"1625352"	290.091066	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Na-2H"	20.974666
"105162"	286.097463	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M-H+Cl"	33.962126
"541441"	420.655663	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M-H+Cl"	33.962126
"934960"	151.539263	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-H+Cl"	33.962126
"280075"	573.202202	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+Cl"	34.969402
"669226"	842.318602	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+Cl"	34.969402
"1287582"	304.085802	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Cl"	34.969402
"31191"	575.181406	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M-2H+K"	36.948606
"467024"	844.297806	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M-2H+K"	36.948606
"848337"	306.065006	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-2H+K"	36.948606
"1569405"	306.065006	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+K-2H"	36.948606
"950726"	314.114594	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-H+HCOOH"	44.998194
"366753"	583.231001	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+HCOOH-H"	44.998201
"349542"	597.246651	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+Hac-H"	59.013851
"1498377"	328.130251	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Hac-H"	59.013851
"972854"	336.096551	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-H+NaCOOH"	66.980151
"124313"	304.085802	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+2Cl"	69.938804
"563875"	438.644002	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+2Cl"	69.938804
"1035952"	169.527602	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2Cl"	69.938804
"1253708"	348.035285	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Br"	78.918885
"1319072"	350.091272	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Cl+HCOOH"	80.974872
"1334750"	372.073229	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Cl+NaCOOH"	102.956829
"923617"	382.101986	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M-H+CF3COOH"	112.985586
"1302512"	418.078664	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Cl+CF3COOH"	148.962264
"1376299"	234.103724	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H-2H2O"	-35.012676
"1394890"	252.1137	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H-H2O"	-17.0027
"293482"	539.240076	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+H"	1.007276
"683716"	808.356476	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+H"	1.007276
"1356783"	270.123676	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H"	1.007276
"128578"	270.123676	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+2H"	2.014552
"579081"	404.681876	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+2H"	2.014552
"1047880"	135.565476	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2H"	2.014552
"210313"	180.418209333333	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+3H"	3.021828
"653162"	270.123676	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+3H"	3.021828
"1172386"	90.7127426666667	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+3H"	3.021828
"433468"	556.266623	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+NH4"	18.033823
"795560"	825.383023	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+NH4"	18.033823
"1687518"	287.150223	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+NH4"	18.033823
"333608"	278.6369495	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+H+NH4"	19.041099
"731496"	413.1951495	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+H+NH4"	19.041099
"1485316"	144.0787495	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H+NH4"	19.041099
"393427"	561.222018	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+Na"	22.989218
"756245"	830.338418	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+Na"	22.989218
"1606538"	292.105618	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Na"	22.989218
"319856"	281.114647	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+H+Na"	23.996494
"711184"	415.672847	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+H+Na"	23.996494
"1470469"	146.556447	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H+Na"	23.996494
"1060436"	98.0400566666667	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2H+Na"	25.00377
"1263209"	302.149886	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+CH3OH+H"	33.033486
"387251"	577.195958	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+K"	38.963158
"747154"	846.312358	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+K"	38.963158
"1553581"	308.079558	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+K"	38.963158
"312948"	289.101617	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+H+K"	39.970434
"706868"	423.659817	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+H+K"	39.970434
"1460643"	154.543417	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H+K"	39.970434
"250828"	580.266626	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+ACN+H"	42.033826
"1225115"	311.150226	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+ACN+H"	42.033826
"1209122"	156.078751	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+ACN+2H"	43.041102
"203814"	583.20396	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+2Na-H"	44.97116
"640087"	852.32036	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+2Na-H"	44.97116
"1143226"	314.08756	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2Na-H"	44.97116
"181412"	292.105618	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+2Na"	45.978436
"628388"	426.663818	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+2Na"	45.978436
"1131012"	157.547418	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2Na"	45.978436
"1413928"	105.367370666667	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H+2Na"	46.985712
"1444623"	316.129146	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H+HCOOH"	47.012746
"235532"	297.13864	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+3H2O+2H"	56.04448
"1523990"	330.18119	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+IsoProp+H"	61.06479
"420849"	300.092588	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+Na+K"	61.952376
"780749"	434.650788	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+Na+K"	61.952376
"1675989"	165.534388	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Na+K"	61.952376
"266892"	602.248568	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+ACN+Na"	64.015768
"1240084"	333.132168	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+ACN+Na"	64.015768
"1727386"	333.155693	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+NH4+HCOOH"	64.039293
"1192380"	112.694684666667	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+3Na"	68.967654
"1662630"	338.111088	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Na+HCOOH"	68.994688
"160742"	615.15184	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+2K-H"	76.91904
"600302"	884.26824	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+2K-H"	76.91904
"1087002"	346.03544	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2K-H"	76.91904
"155729"	308.079558	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"2M+2K"	77.926316
"589941"	442.637758	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"3M+2K"	77.926316
"1072266"	173.521358	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2K"	77.926316
"1112050"	348.049992	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2K+H"	78.933592
"1349527"	348.137607	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+DMSO+H"	79.021207
"1019518"	352.176776	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2ACN+H"	83.060376
"1538371"	353.170408	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+IsoProp+Na+H"	84.054008
"996074"	176.592026	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+2ACN+2H"	84.067652
"1594952"	354.085028	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+K+HCOOH"	84.968628
"1418425"	384.116538	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+H+CF3COOH"	115.000138
"1154181"	197.105301	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+3ACN+2H"	125.094202
"1705918"	401.143085	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+NH4+CF3COOH"	132.026685
"1643754"	406.09848	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+Na+CF3COOH"	136.98208
"1576123"	422.07242	"C19459"	"Methyl red;o-Methyl red"	"C15H15N3O2"	"269.1164"	"M+K+CF3COOH"	152.95602
"811960"	559.8932	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M"	0
"988773"	540.87481	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-H2O-H"	-19.01839
"74828"	372.254857333333	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M-3H"	-3.021828
"513295"	558.885924	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M-3H"	-3.021828
"883441"	185.623790666667	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-3H"	-3.021828
"4201"	558.885924	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M-2H"	-2.014552
"449233"	838.832524	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M-2H"	-2.014552
"831904"	278.939324	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-2H"	-2.014552
"87037"	1118.779124	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M-H"	-1.007276
"531820"	1678.672324	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M-H"	-1.007276
"901116"	558.885924	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-H"	-1.007276
"51117"	1135.805671	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M-2H+NH4"	16.019271
"488366"	1695.698871	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M-2H+NH4"	16.019271
"868480"	575.912471	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-2H+NH4"	16.019271
"36380"	1140.761066	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M-2H+Na"	20.974666
"472780"	1700.654266	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M-2H+Na"	20.974666
"858118"	580.867866	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-2H+Na"	20.974666
"1624369"	580.867866	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Na-2H"	20.974666
"105272"	576.874263	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M-H+Cl"	33.962126
"540458"	856.820863	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M-H+Cl"	33.962126
"932879"	296.927663	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-H+Cl"	33.962126
"273622"	1154.755802	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+Cl"	34.969402
"670429"	1714.649002	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+Cl"	34.969402
"1287934"	594.862602	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Cl"	34.969402
"30490"	1156.735006	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M-2H+K"	36.948606
"464947"	1716.628206	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M-2H+K"	36.948606
"846394"	596.841806	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-2H+K"	36.948606
"1566236"	596.841806	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+K-2H"	36.948606
"950836"	604.891394	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-H+HCOOH"	44.998194
"366864"	1164.784601	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+HCOOH-H"	44.998201
"349653"	1178.800251	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+Hac-H"	59.013851
"1497394"	618.907051	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Hac-H"	59.013851
"971505"	626.873351	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-H+NaCOOH"	66.980151
"125395"	594.862602	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+2Cl"	69.938804
"565318"	874.809202	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+2Cl"	69.938804
"1036427"	314.916002	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2Cl"	69.938804
"1254912"	638.812085	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Br"	78.918885
"1319183"	640.868072	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Cl+HCOOH"	80.974872
"1332670"	662.850029	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Cl+NaCOOH"	102.956829
"924821"	672.878786	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M-H+CF3COOH"	112.985586
"1299341"	708.855464	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Cl+CF3COOH"	148.962264
"1376409"	524.880524	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H-2H2O"	-35.012676
"1390624"	542.8905	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H-H2O"	-17.0027
"291405"	1120.793676	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+H"	1.007276
"682733"	1680.686876	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+H"	1.007276
"1353613"	560.900476	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H"	1.007276
"127715"	560.900476	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+2H"	2.014552
"580408"	840.847076	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+2H"	2.014552
"1049083"	280.953876	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2H"	2.014552
"211516"	374.269409333333	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+3H"	3.021828
"655458"	560.900476	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+3H"	3.021828
"1172132"	187.638342666667	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+3H"	3.021828
"433578"	1137.820223	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+NH4"	18.033823
"797128"	1697.713423	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+NH4"	18.033823
"1689814"	577.927023	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+NH4"	18.033823
"333353"	569.4137495	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+H+NH4"	19.041099
"731607"	849.3603495	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+H+NH4"	19.041099
"1487613"	289.4671495	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H+NH4"	19.041099
"401920"	1142.775618	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+Na"	22.989218
"754328"	1702.668818	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+Na"	22.989218
"1608835"	582.882418	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Na"	22.989218
"319966"	571.891447	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+H+Na"	23.996494
"711294"	851.838047	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+H+Na"	23.996494
"1470579"	291.944847	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H+Na"	23.996494
"1060546"	194.965656666667	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2H+Na"	25.00377
"1270609"	592.926686	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+CH3OH+H"	33.033486
"389548"	1158.749558	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+K"	38.963158
"746171"	1718.642758	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+K"	38.963158
"1554540"	598.856358	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+K"	38.963158
"313782"	579.878417	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+H+K"	39.970434
"707022"	859.825017	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+H+K"	39.970434
"1459661"	299.931817	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H+K"	39.970434
"250815"	1161.820226	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+ACN+H"	42.033826
"1225347"	601.927026	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+ACN+H"	42.033826
"1208865"	301.467151	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+ACN+2H"	43.041102
"203922"	1164.75756	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+2Na-H"	44.97116
"638010"	1724.65076	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+2Na-H"	44.97116
"1143336"	604.86436	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2Na-H"	44.97116
"182615"	582.882418	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+2Na"	45.978436
"628109"	862.829018	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+2Na"	45.978436
"1130190"	302.935818	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2Na"	45.978436
"1411399"	202.292970666667	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H+2Na"	46.985712
"1441327"	606.905946	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H+HCOOH"	47.012746
"235164"	587.91544	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+3H2O+2H"	56.04448
"1523465"	620.95799	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+IsoProp+H"	61.06479
"417678"	590.869388	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+Na+K"	61.952376
"779766"	870.815988	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+Na+K"	61.952376
"1678285"	310.922788	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Na+K"	61.952376
"266842"	1183.802168	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+ACN+Na"	64.015768
"1240072"	623.908968	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+ACN+Na"	64.015768
"1725313"	623.932493	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+NH4+HCOOH"	64.039293
"1193992"	209.620284666667	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+3Na"	68.967654
"1662740"	628.887888	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Na+HCOOH"	68.994688
"161945"	1196.70544	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+2K-H"	76.91904
"600412"	1756.59864	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+2K-H"	76.91904
"1087112"	636.81224	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2K-H"	76.91904
"154138"	598.856358	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"2M+2K"	77.926316
"594426"	878.802958	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"3M+2K"	77.926316
"1075657"	318.909758	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2K"	77.926316
"1109971"	638.826792	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2K+H"	78.933592
"1344168"	638.914407	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+DMSO+H"	79.021207
"1018170"	642.953576	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2ACN+H"	83.060376
"1538479"	643.947208	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+IsoProp+Na+H"	84.054008
"995091"	321.980426	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+2ACN+2H"	84.067652
"1598344"	644.861828	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+K+HCOOH"	84.968628
"1417442"	674.893338	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+H+CF3COOH"	115.000138
"1155384"	342.493701	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+3ACN+2H"	125.094202
"1706028"	691.919885	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+NH4+CF3COOH"	132.026685
"1644957"	696.87528	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+Na+CF3COOH"	136.98208
"1576233"	712.84922	"C19460"	"Methyl selenac;Tetrakis(dimethyldithiocarbamato)-selenium"	"C12H24N4S8Se"	"559.8932"	"M+K+CF3COOH"	152.95602
"812070"	268.1059	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M"	0
"988762"	249.08751	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-H2O-H"	-19.01839
"74938"	177.729990666667	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M-3H"	-3.021828
"512312"	267.098624	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M-3H"	-3.021828
"883551"	88.3613573333333	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-3H"	-3.021828
"6498"	267.098624	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M-2H"	-2.014552
"448250"	401.151574	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M-2H"	-2.014552
"831774"	133.045674	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-2H"	-2.014552
"89331"	535.204524	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M-H"	-1.007276
"529985"	803.310424	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M-H"	-1.007276
"900497"	267.098624	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-H"	-1.007276
"51226"	552.231071	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M-2H+NH4"	16.019271
"487868"	820.336971	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M-2H+NH4"	16.019271
"868590"	284.125171	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-2H+NH4"	16.019271
"33210"	557.186466	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M-2H+Na"	20.974666
"472889"	825.292366	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M-2H+Na"	20.974666
"858228"	289.080566	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-2H+Na"	20.974666
"1623386"	289.080566	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Na-2H"	20.974666
"105382"	285.086963	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M-H+Cl"	33.962126
"540568"	419.139913	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M-H+Cl"	33.962126
"931896"	151.034013	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-H+Cl"	33.962126
"273732"	571.181202	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+Cl"	34.969402
"672724"	839.287102	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+Cl"	34.969402
"1281847"	303.075302	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Cl"	34.969402
"26590"	573.160406	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M-2H+K"	36.948606
"469066"	841.266306	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M-2H+K"	36.948606
"843952"	305.054506	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-2H+K"	36.948606
"1565252"	305.054506	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+K-2H"	36.948606
"950946"	313.104094	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-H+HCOOH"	44.998194
"366973"	581.210001	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+HCOOH-H"	44.998201
"348668"	595.225651	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+Hac-H"	59.013851
"1498597"	327.119751	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Hac-H"	59.013851
"972343"	335.086051	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-H+NaCOOH"	66.980151
"124896"	303.075302	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+2Cl"	69.938804
"562269"	437.128252	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+2Cl"	69.938804
"1036536"	169.022352	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2Cl"	69.938804
"1253928"	347.024785	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Br"	78.918885
"1319294"	349.080772	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Cl+HCOOH"	80.974872
"1329500"	371.062729	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Cl+NaCOOH"	102.956829
"924931"	381.091486	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M-H+CF3COOH"	112.985586
"1298358"	417.068164	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Cl+CF3COOH"	148.962264
"1376519"	233.093224	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H-2H2O"	-35.012676
"1390734"	251.1032	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H-H2O"	-17.0027
"288233"	537.219076	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+H"	1.007276
"686123"	805.324976	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+H"	1.007276
"1353723"	269.113176	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H"	1.007276
"128797"	269.113176	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+2H"	2.014552
"580152"	403.166126	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+2H"	2.014552
"1045913"	135.060226	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2H"	2.014552
"212719"	179.744542666667	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+3H"	3.021828
"655568"	269.113176	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+3H"	3.021828
"1172604"	90.3759093333334	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+3H"	3.021828
"435875"	554.245623	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+NH4"	18.033823
"797602"	822.351523	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+NH4"	18.033823
"1691018"	286.139723	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+NH4"	18.033823
"336016"	277.6264495	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+H+NH4"	19.041099
"733904"	411.6793995	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+H+NH4"	19.041099
"1487723"	143.5734995	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H+NH4"	19.041099
"400938"	559.201018	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+Na"	22.989218
"754881"	827.306918	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+Na"	22.989218
"1605665"	291.095118	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Na"	22.989218
"316065"	280.104147	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+H+Na"	23.996494
"711404"	414.157097	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+H+Na"	23.996494
"1470689"	146.051197	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H+Na"	23.996494
"1058470"	97.7032233333333	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2H+Na"	25.00377
"1268532"	301.139386	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+CH3OH+H"	33.033486
"386378"	575.174958	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+K"	38.963158
"749561"	843.280858	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+K"	38.963158
"1553435"	307.069058	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+K"	38.963158
"312072"	288.091117	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+H+K"	39.970434
"705953"	422.144067	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+H+K"	39.970434
"1459041"	154.038167	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H+K"	39.970434
"249464"	578.245626	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+ACN+H"	42.033826
"1224240"	310.139726	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+ACN+H"	42.033826
"1208369"	155.573501	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+ACN+2H"	43.041102
"202820"	581.18296	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+2Na-H"	44.97116
"639213"	849.28886	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+2Na-H"	44.97116
"1145270"	313.07706	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2Na-H"	44.97116
"182726"	291.095118	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+2Na"	45.978436
"627892"	425.148068	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+2Na"	45.978436
"1130665"	157.042168	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2Na"	45.978436
"1414068"	105.030537333333	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H+2Na"	46.985712
"1440344"	315.118646	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H+HCOOH"	47.012746
"235587"	296.12814	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+3H2O+2H"	56.04448
"1522112"	329.17069	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+IsoProp+H"	61.06479
"417788"	299.082088	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+Na+K"	61.952376
"779876"	433.135038	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+Na+K"	61.952376
"1679733"	165.029138	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Na+K"	61.952376
"266143"	600.227568	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+ACN+Na"	64.015768
"1239940"	332.121668	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+ACN+Na"	64.015768
"1727372"	332.145193	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+NH4+HCOOH"	64.039293
"1193333"	112.357851333333	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+3Na"	68.967654
"1662853"	337.100588	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Na+HCOOH"	68.994688
"167523"	613.13084	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+2K-H"	76.91904
"604897"	881.23674	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+2K-H"	76.91904
"1087222"	345.02494	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2K-H"	76.91904
"153155"	307.069058	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"2M+2K"	77.926316
"594536"	441.122008	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"3M+2K"	77.926316
"1075767"	173.016108	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2K"	77.926316
"1111903"	347.039492	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2K+H"	78.933592
"1346100"	347.127107	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+DMSO+H"	79.021207
"1017183"	351.166276	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2ACN+H"	83.060376
"1537496"	352.159908	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+IsoProp+Na+H"	84.054008
"995201"	176.086776	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+2ACN+2H"	84.067652
"1599549"	353.074528	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+K+HCOOH"	84.968628
"1420831"	383.106038	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+H+CF3COOH"	115.000138
"1155494"	196.600051	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+3ACN+2H"	125.094202
"1706138"	400.132585	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+NH4+CF3COOH"	132.026685
"1646161"	405.08798	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+Na+CF3COOH"	136.98208
"1576343"	421.06192	"C19461"	"Musk ambrette"	"C12H16N2O5"	"268.1059"	"M+K+CF3COOH"	152.95602
"815460"	297.0961	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M"	0
"989358"	278.07771	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-H2O-H"	-19.01839
"72861"	197.056790666667	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M-3H"	-3.021828
"506954"	296.088824	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M-3H"	-3.021828
"880744"	98.0247573333333	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-3H"	-3.021828
"6608"	296.088824	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M-2H"	-2.014552
"451640"	444.636874	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M-2H"	-2.014552
"831394"	147.540774	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-2H"	-2.014552
"89441"	593.184924	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M-H"	-1.007276
"526815"	890.281024	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M-H"	-1.007276
"898421"	296.088824	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-H"	-1.007276
"49150"	610.211471	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M-2H+NH4"	16.019271
"487978"	907.307571	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M-2H+NH4"	16.019271
"864808"	313.115371	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-2H+NH4"	16.019271
"33683"	615.166866	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M-2H+Na"	20.974666
"473120"	912.262966	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M-2H+Na"	20.974666
"861618"	318.070766	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-2H+Na"	20.974666
"1625683"	318.070766	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Na-2H"	20.974666
"103305"	314.077163	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M-H+Cl"	33.962126
"540678"	462.625213	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M-H+Cl"	33.962126
"932006"	165.529113	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-H+Cl"	33.962126
"273842"	629.161602	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+Cl"	34.969402
"674295"	926.257702	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+Cl"	34.969402
"1283052"	332.065502	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Cl"	34.969402
"27794"	631.140806	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M-2H+K"	36.948606
"464072"	928.236906	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M-2H+K"	36.948606
"846978"	334.044706	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-2H+K"	36.948606
"1565362"	334.044706	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+K-2H"	36.948606
"949962"	342.094294	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-H+HCOOH"	44.998194
"367083"	639.190401	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+HCOOH-H"	44.998201
"348778"	653.206051	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+Hac-H"	59.013851
"1499800"	356.109951	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Hac-H"	59.013851
"974158"	364.076251	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-H+NaCOOH"	66.980151
"125006"	332.065502	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+2Cl"	69.938804
"564566"	480.613552	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+2Cl"	69.938804
"1036959"	183.517452	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2Cl"	69.938804
"1254039"	376.014985	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Br"	78.918885
"1318311"	378.070972	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Cl+HCOOH"	80.974872
"1334711"	400.052929	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Cl+NaCOOH"	102.956829
"925408"	410.081686	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M-H+CF3COOH"	112.985586
"1300655"	446.058364	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Cl+CF3COOH"	148.962264
"1377723"	262.083424	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H-2H2O"	-35.012676
"1394124"	280.0934	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H-H2O"	-17.0027
"288343"	595.199476	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+H"	1.007276
"686234"	892.295576	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+H"	1.007276
"1358207"	298.103376	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H"	1.007276
"126718"	298.103376	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+2H"	2.014552
"578317"	446.651426	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+2H"	2.014552
"1043836"	149.555326	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2H"	2.014552
"206631"	199.071342666667	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+3H"	3.021828
"655680"	298.103376	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+3H"	3.021828
"1175993"	100.039309333333	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+3H"	3.021828
"436715"	612.226023	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+NH4"	18.033823
"796984"	909.322123	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+NH4"	18.033823
"1692222"	315.129923	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+NH4"	18.033823
"340500"	306.6166495	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+H+NH4"	19.041099
"735473"	455.1646995	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+H+NH4"	19.041099
"1487832"	158.0685995	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H+NH4"	19.041099
"403234"	617.181418	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+Na"	22.989218
"754506"	914.277518	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+Na"	22.989218
"1606867"	320.085318	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Na"	22.989218
"317267"	309.094347	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+H+Na"	23.996494
"709690"	457.642397	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+H+Na"	23.996494
"1468612"	160.546297	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H+Na"	23.996494
"1059673"	107.366623333333	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2H+Na"	25.00377
"1266453"	330.129586	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+CH3OH+H"	33.033486
"388673"	633.155358	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+K"	38.963158
"751858"	930.251458	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+K"	38.963158
"1553909"	336.059258	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+K"	38.963158
"312425"	317.081317	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+H+K"	39.970434
"704240"	465.629367	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+H+K"	39.970434
"1459881"	168.533267	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H+K"	39.970434
"250670"	636.226026	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+ACN+H"	42.033826
"1225081"	339.129926	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+ACN+H"	42.033826
"1209209"	170.068601	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+ACN+2H"	43.041102
"203779"	639.16336	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+2Na-H"	44.97116
"642970"	936.25946	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+2Na-H"	44.97116
"1143557"	342.06726	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2Na-H"	44.97116
"179556"	320.085318	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+2Na"	45.978436
"627155"	468.633368	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+2Na"	45.978436
"1129445"	171.537268	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2Na"	45.978436
"1412960"	114.693937333333	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H+2Na"	46.985712
"1444466"	344.108846	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H+HCOOH"	47.012746
"235223"	325.11834	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+3H2O+2H"	56.04448
"1523331"	358.16089	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+IsoProp+H"	61.06479
"420085"	328.072288	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+Na+K"	61.952376
"779986"	476.620338	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+Na+K"	61.952376
"1680817"	179.524238	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Na+K"	61.952376
"265755"	658.207968	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+ACN+Na"	64.015768
"1240293"	361.111868	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+ACN+Na"	64.015768
"1727726"	361.135393	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+NH4+HCOOH"	64.039293
"1193684"	122.021251333333	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+3Na"	68.967654
"1662598"	366.090788	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Na+HCOOH"	68.994688
"167633"	671.11124	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+2K-H"	76.91904
"605007"	968.20734	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+2K-H"	76.91904
"1090612"	374.01514	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2K-H"	76.91904
"153994"	336.059258	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"2M+2K"	77.926316
"593553"	484.607308	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"3M+2K"	77.926316
"1075877"	187.511208	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2K"	77.926316
"1110190"	376.029692	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2K+H"	78.933592
"1345481"	376.117307	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+DMSO+H"	79.021207
"1017293"	380.156476	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2ACN+H"	83.060376
"1536513"	381.150108	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+IsoProp+Na+H"	84.054008
"995312"	190.581876	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+2ACN+2H"	84.067652
"1600751"	382.064728	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+K+HCOOH"	84.968628
"1420943"	412.096238	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+H+CF3COOH"	115.000138
"1158884"	211.095151	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+3ACN+2H"	125.094202
"1705155"	429.122785	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+NH4+CF3COOH"	132.026685
"1645177"	434.07818	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+Na+CF3COOH"	136.98208
"1574266"	450.05212	"C19462"	"Musk xylene"	"C12H15N3O6"	"297.0961"	"M+K+CF3COOH"	152.95602
"812290"	158.0844	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M"	0
"986916"	139.06601	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-H2O-H"	-19.01839
"69691"	104.382324	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M-3H"	-3.021828
"507064"	157.077124	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M-3H"	-3.021828
"880851"	51.687524	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-3H"	-3.021828
"6718"	157.077124	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M-2H"	-2.014552
"453574"	236.119324	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M-2H"	-2.014552
"831626"	78.034924	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-2H"	-2.014552
"89551"	315.161524	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M-H"	-1.007276
"530205"	473.245924	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M-H"	-1.007276
"905823"	157.077124	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-H"	-1.007276
"56916"	332.188071	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M-2H+NH4"	16.019271
"495381"	490.272471	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M-2H+NH4"	16.019271
"865648"	174.103671	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-2H+NH4"	16.019271
"32699"	337.143466	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M-2H+Na"	20.974666
"472500"	495.227866	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M-2H+Na"	20.974666
"858448"	179.059066	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-2H+Na"	20.974666
"1627980"	179.059066	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Na-2H"	20.974666
"105602"	175.065463	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M-H+Cl"	33.962126
"540788"	254.107663	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M-H+Cl"	33.962126
"929198"	96.023263	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-H+Cl"	33.962126
"267993"	351.138202	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+Cl"	34.969402
"674039"	509.222602	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+Cl"	34.969402
"1285347"	193.053802	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Cl"	34.969402
"27903"	353.117406	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M-2H+K"	36.948606
"464183"	511.201806	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M-2H+K"	36.948606
"844172"	195.033006	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-2H+K"	36.948606
"1565472"	195.033006	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+K-2H"	36.948606
"951165"	203.082594	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-H+HCOOH"	44.998194
"366099"	361.167001	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+HCOOH-H"	44.998201
"349982"	375.182651	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+Hac-H"	59.013851
"1496630"	217.098251	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Hac-H"	59.013851
"973291"	225.064551	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-H+NaCOOH"	66.980151
"125115"	193.053802	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+2Cl"	69.938804
"563583"	272.096002	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+2Cl"	69.938804
"1035298"	114.011602	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2Cl"	69.938804
"1253055"	237.003285	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Br"	78.918885
"1319797"	239.059272	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Cl+HCOOH"	80.974872
"1335065"	261.041229	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Cl+NaCOOH"	102.956829
"926246"	271.069986	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M-H+CF3COOH"	112.985586
"1298579"	307.046664	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Cl+CF3COOH"	148.962264
"1377833"	123.071724	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H-2H2O"	-35.012676
"1386580"	141.0817	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H-H2O"	-17.0027
"285171"	317.176076	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+H"	1.007276
"685249"	475.260476	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+H"	1.007276
"1353941"	159.091676	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H"	1.007276
"127922"	159.091676	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+2H"	2.014552
"578427"	238.133876	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+2H"	2.014552
"1043944"	80.049476	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2H"	2.014552
"209660"	106.396876	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+3H"	3.021828
"656156"	159.091676	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+3H"	3.021828
"1175010"	53.702076	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+3H"	3.021828
"436095"	334.202623	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+NH4"	18.033823
"799280"	492.287023	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+NH4"	18.033823
"1690146"	176.118223	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+NH4"	18.033823
"335142"	167.6049495	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+H+NH4"	19.041099
"734125"	246.6471495	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+H+NH4"	19.041099
"1487945"	88.5627495	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H+NH4"	19.041099
"405531"	339.158018	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+Na"	22.989218
"755226"	497.242418	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+Na"	22.989218
"1605511"	181.073618	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Na"	22.989218
"317741"	170.082647	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+H+Na"	23.996494
"710528"	249.124847	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+H+Na"	23.996494
"1466535"	91.040447	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H+Na"	23.996494
"1056503"	61.02939	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2H+Na"	25.00377
"1263647"	191.117886	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+CH3OH+H"	33.033486
"386232"	355.131958	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+K"	38.963158
"746501"	513.216358	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+K"	38.963158
"1548554"	197.047558	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+K"	38.963158
"310103"	178.069617	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+H+K"	39.970434
"702524"	257.111817	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+H+K"	39.970434
"1459625"	99.027417	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H+K"	39.970434
"251228"	358.202626	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+ACN+H"	42.033826
"1225432"	200.118226	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+ACN+H"	42.033826
"1209515"	100.562751	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+ACN+2H"	43.041102
"200601"	361.13996	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+2Na-H"	44.97116
"640527"	519.22436	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+2Na-H"	44.97116
"1139658"	203.05556	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2Na-H"	44.97116
"179666"	181.073618	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+2Na"	45.978436
"627264"	260.115818	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+2Na"	45.978436
"1130282"	102.031418	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2Na"	45.978436
"1412822"	68.356704	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H+2Na"	46.985712
"1444210"	205.097146	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H+HCOOH"	47.012746
"230988"	186.10664	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+3H2O+2H"	56.04448
"1513947"	219.14919	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+IsoProp+H"	61.06479
"414727"	189.060588	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+Na+K"	61.952376
"780096"	268.102788	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+Na+K"	61.952376
"1680927"	110.018388	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Na+K"	61.952376
"262949"	380.184568	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+ACN+Na"	64.015768
"1240888"	222.100168	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+ACN+Na"	64.015768
"1727956"	222.123693	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+NH4+HCOOH"	64.039293
"1193551"	75.684018	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+3Na"	68.967654
"1663075"	227.079088	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Na+HCOOH"	68.994688
"168837"	393.08784	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+2K-H"	76.91904
"608397"	551.17224	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+2K-H"	76.91904
"1094002"	235.00344	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2K-H"	76.91904
"153012"	197.047558	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"2M+2K"	77.926316
"593663"	276.089758	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"3M+2K"	77.926316
"1078174"	118.005358	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2K"	77.926316
"1108114"	237.017992	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2K+H"	78.933592
"1345227"	237.105607	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+DMSO+H"	79.021207
"1016310"	241.144776	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2ACN+H"	83.060376
"1536623"	242.138408	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+IsoProp+Na+H"	84.054008
"999786"	121.076026	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+2ACN+2H"	84.067652
"1600490"	243.053028	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+K+HCOOH"	84.968628
"1421054"	273.084538	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+H+CF3COOH"	115.000138
"1156807"	141.589301	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+3ACN+2H"	125.094202
"1703078"	290.111085	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+NH4+CF3COOH"	132.026685
"1645287"	295.06648	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+Na+CF3COOH"	136.98208
"1572189"	311.04042	"C19463"	"15-Naphthalenediamine"	"C10H10N2"	"158.0844"	"M+K+CF3COOH"	152.95602
"813493"	210.0429	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M"	0
"987026"	191.02451	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-H2O-H"	-19.01839
"69801"	139.021324	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M-3H"	-3.021828
"509360"	209.035624	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M-3H"	-3.021828
"884974"	69.007024	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-3H"	-3.021828
"6828"	209.035624	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M-2H"	-2.014552
"445299"	314.057074	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M-2H"	-2.014552
"832342"	104.014174	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-2H"	-2.014552
"88568"	419.078524	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M-H"	-1.007276
"529222"	629.121424	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M-H"	-1.007276
"907026"	209.035624	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-H"	-1.007276
"54839"	436.105071	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M-2H+NH4"	16.019271
"493304"	646.147971	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M-2H+NH4"	16.019271
"867825"	226.062171	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-2H+NH4"	16.019271
"33537"	441.060466	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M-2H+Na"	20.974666
"473220"	651.103366	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M-2H+Na"	20.974666
"861838"	231.017566	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-2H+Na"	20.974666
"1623716"	231.017566	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Na-2H"	20.974666
"100245"	227.023963	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M-H+Cl"	33.962126
"537617"	332.045413	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M-H+Cl"	33.962126
"929307"	122.002513	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-H+Cl"	33.962126
"267616"	455.055202	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+Cl"	34.969402
"675626"	665.098102	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+Cl"	34.969402
"1288375"	245.012302	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Cl"	34.969402
"29106"	457.034406	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M-2H+K"	36.948606
"466480"	667.077306	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M-2H+K"	36.948606
"844282"	246.991506	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-2H+K"	36.948606
"1567769"	246.991506	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+K-2H"	36.948606
"951275"	255.041094	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-H+HCOOH"	44.998194
"371676"	465.084001	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+HCOOH-H"	44.998201
"353372"	479.099651	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+Hac-H"	59.013851
"1500020"	269.056751	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Hac-H"	59.013851
"967567"	277.023051	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-H+NaCOOH"	66.980151
"125392"	245.012302	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+2Cl"	69.938804
"563693"	350.033752	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+2Cl"	69.938804
"1036501"	139.990852	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2Cl"	69.938804
"1255351"	288.961785	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Br"	78.918885
"1319876"	291.017772	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Cl+HCOOH"	80.974872
"1335541"	312.999729	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Cl+NaCOOH"	102.956829
"925990"	323.028486	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M-H+CF3COOH"	112.985586
"1298688"	359.005164	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Cl+CF3COOH"	148.962264
"1380129"	175.030224	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H-2H2O"	-35.012676
"1388876"	193.0402	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H-H2O"	-17.0027
"286375"	421.093076	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+H"	1.007276
"687546"	631.135976	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+H"	1.007276
"1355144"	211.050176	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H"	1.007276
"126939"	211.050176	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+2H"	2.014552
"576350"	316.071626	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+2H"	2.014552
"1045147"	106.028726	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2H"	2.014552
"209770"	141.035876	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+3H"	3.021828
"658453"	211.050176	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+3H"	3.021828
"1172933"	71.021576	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+3H"	3.021828
"438757"	438.119623	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+NH4"	18.033823
"800969"	648.162523	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+NH4"	18.033823
"1693536"	228.076723	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+NH4"	18.033823
"338532"	219.5634495	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+H+NH4"	19.041099
"736423"	324.5848995	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+H+NH4"	19.041099
"1490970"	114.5419995	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H+NH4"	19.041099
"404548"	443.075018	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+Na"	22.989218
"755457"	653.117918	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+Na"	22.989218
"1605257"	233.032118	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Na"	22.989218
"320403"	222.041147	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+H+Na"	23.996494
"710639"	327.062597	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+H+Na"	23.996494
"1469925"	117.019697	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H+Na"	23.996494
"1055519"	78.34889	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2H+Na"	25.00377
"1261570"	243.076386	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+CH3OH+H"	33.033486
"386706"	459.048958	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+K"	38.963158
"746611"	669.091858	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+K"	38.963158
"1550849"	249.006058	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+K"	38.963158
"311306"	230.028117	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+H+K"	39.970434
"704820"	335.049567	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+H+K"	39.970434
"1460587"	125.006667	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H+K"	39.970434
"251408"	462.119626	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+ACN+H"	42.033826
"1225339"	252.076726	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+ACN+H"	42.033826
"1209383"	126.542001	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+ACN+2H"	43.041102
"201076"	465.05696	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+2Na-H"	44.97116
"640273"	675.09986	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+2Na-H"	44.97116
"1141591"	255.01406	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2Na-H"	44.97116
"183056"	233.032118	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+2Na"	45.978436
"628346"	338.053568	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+2Na"	45.978436
"1131241"	128.010668	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2Na"	45.978436
"1413298"	85.676204	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H+2Na"	46.985712
"1445414"	257.055646	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H+HCOOH"	47.012746
"233285"	238.06514	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+3H2O+2H"	56.04448
"1517337"	271.10769	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+IsoProp+H"	61.06479
"415930"	241.019088	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+Na+K"	61.952376
"781299"	346.040538	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+Na+K"	61.952376
"1680916"	135.997638	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Na+K"	61.952376
"266339"	484.101568	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+ACN+Na"	64.015768
"1239776"	274.058668	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+ACN+Na"	64.015768
"1723557"	274.082193	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+NH4+HCOOH"	64.039293
"1187818"	93.003518	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+3Na"	68.967654
"1664644"	279.037588	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Na+HCOOH"	68.994688
"167853"	497.00484	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+2K-H"	76.91904
"608507"	707.04774	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+2K-H"	76.91904
"1096299"	286.96194	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2K-H"	76.91904
"150930"	249.006058	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"2M+2K"	77.926316
"588303"	354.027508	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"3M+2K"	77.926316
"1073909"	143.984608	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2K"	77.926316
"1107131"	288.976492	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2K+H"	78.933592
"1344608"	289.064107	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+DMSO+H"	79.021207
"1016420"	293.103276	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2ACN+H"	83.060376
"1537826"	294.096908	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+IsoProp+Na+H"	84.054008
"998803"	147.055276	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+2ACN+2H"	84.067652
"1598778"	295.011528	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+K+HCOOH"	84.968628
"1426259"	325.043038	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+H+CF3COOH"	115.000138
"1160199"	167.568551	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+3ACN+2H"	125.094202
"1710841"	342.069585	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+NH4+CF3COOH"	132.026685
"1645397"	347.02498	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+Na+CF3COOH"	136.98208
"1575579"	362.99892	"C19464"	"15-Naphthalene diisocyanate"	"C12H6N2O2"	"210.0429"	"M+K+CF3COOH"	152.95602
"812510"	302.1096	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M"	0
"983856"	283.09121	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"66631"	200.399124	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"508377"	301.102324	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"880710"	99.695924	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"741"	301.102324	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"439971"	452.157124	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"824309"	150.047524	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"91959"	603.211924	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"530425"	905.321524	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"906043"	301.102324	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"57136"	620.238471	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"497788"	922.348071	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"867935"	318.128871	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"33039"	625.193866	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"471828"	927.303466	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"858668"	323.084266	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1623826"	323.084266	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"99262"	319.090663	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"537727"	470.145463	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"929054"	168.035863	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"267483"	639.188602	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"674257"	941.298202	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1287754"	337.079002	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"25936"	641.167806	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"467683"	943.277406	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"842205"	339.058206	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1564599"	339.058206	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"950291"	347.107794	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"369599"	649.217401	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"349108"	663.233051	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1496850"	361.123451	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"966582"	369.089751	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"120959"	337.079002	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"563077"	488.133802	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1035154"	186.024202	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1254368"	381.028485	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1315722"	383.084472	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1328844"	405.066429	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"918808"	415.095186	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1295515"	451.071864	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1371492"	267.096924	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1385706"	285.1069	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"283564"	605.226476	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"680001"	907.336076	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1351973"	303.116876	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H"	1.007276
"125955"	303.116876	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"575367"	454.171676	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1044164"	152.062076	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"210973"	202.413676	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"654910"	303.116876	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1174137"	101.710476	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"437409"	622.253023	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"795130"	924.362623	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1690367"	320.143423	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"337550"	311.6301495	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"731066"	462.6849495	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1485979"	160.5753495	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"402472"	627.208418	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"759091"	929.318018	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1603664"	325.098818	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"316136"	314.107847	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"708557"	465.162647	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1465660"	163.053047	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1058905"	109.03779	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1262772"	335.143086	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"380616"	643.182358	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"745624"	945.291958	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1546582"	341.072758	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+K"	38.963158
"309225"	322.094817	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"703469"	473.149617	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1456561"	171.040017	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"244069"	646.253026	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1224798"	344.143426	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1206858"	172.575351	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"200821"	649.19036	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"635644"	951.29996	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1139878"	347.08076	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"179886"	325.098818	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"627841"	476.153618	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1131288"	174.044018	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1413732"	116.365104	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1442971"	349.122346	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"233395"	330.13184	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1517447"	363.17439	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"416040"	333.085788	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"781409"	484.140588	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1680743"	182.030988	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"265721"	668.234968	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1239158"	366.125368	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1723667"	366.148893	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1187928"	123.692418	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1663658"	371.104288	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"169056"	681.13824	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"608617"	983.24784	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1095316"	379.02864	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"147760"	341.072758	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"584037"	492.127558	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1071832"	190.017958	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1107241"	381.043192	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1343625"	381.130807	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1015437"	385.169976	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1537936"	386.163608	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"997822"	193.088626	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1601074"	387.078228	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1426733"	417.109738	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1160308"	213.601901	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1710951"	434.136285	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1648786"	439.09168	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1575689"	455.06562	"C19465"	"Naphtho12-bfluoranthene;Indeno123-hichrysene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"812620"	302.1096	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M"	0
"983966"	283.09121	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"66741"	200.399124	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"507394"	301.102324	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"885194"	99.695924	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"2675"	301.102324	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"440246"	452.157124	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"824416"	150.047524	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"91827"	603.211924	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"530535"	905.321524	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"903966"	301.102324	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"57246"	620.238471	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"492432"	922.348071	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"869502"	318.128871	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"33756"	625.193866	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"471980"	927.303466	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"855498"	323.084266	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1623207"	323.084266	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"99372"	319.090663	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"538931"	470.145463	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"930620"	168.035863	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"268810"	639.188602	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"671086"	941.298202	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1281302"	337.079002	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"27139"	641.167806	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"463418"	943.277406	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"837941"	339.058206	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1559242"	339.058206	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"944937"	347.107794	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"365336"	649.217401	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"347033"	663.233051	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1498053"	361.123451	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"969972"	369.089751	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"121069"	337.079002	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"563916"	488.133802	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1034535"	186.024202	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1254114"	381.028485	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1315832"	383.084472	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1328954"	405.066429	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"918918"	415.095186	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1296718"	451.071864	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1369415"	267.096924	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1386907"	285.1069	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"285497"	605.226476	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"679017"	907.336076	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1352811"	303.116876	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H"	1.007276
"127885"	303.116876	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"575477"	454.171676	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1044274"	152.062076	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"211083"	202.413676	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"653927"	303.116876	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1172054"	101.710476	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"433140"	622.253023	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"800216"	924.362623	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1691206"	320.143423	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"342033"	311.6301495	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"733360"	462.6849495	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1486090"	160.5753495	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"404767"	627.208418	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"757015"	929.318018	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1608394"	325.098818	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"316246"	314.107847	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"707695"	465.162647	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1469050"	163.053047	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1061201"	109.03779	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1265069"	335.143086	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"383643"	643.182358	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"746827"	945.291958	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1547786"	341.072758	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+K"	38.963158
"311887"	322.094817	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"704673"	473.149617	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1457764"	171.040017	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"245272"	646.253026	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1224666"	344.143426	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1205875"	172.575351	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"202390"	649.19036	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"640493"	951.29996	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1142540"	347.08076	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"183277"	325.098818	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"625400"	476.153618	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1129637"	174.044018	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1411334"	116.365104	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1443086"	349.122346	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"232777"	330.13184	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1520838"	363.17439	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"416150"	333.085788	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"780426"	484.140588	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1680407"	182.030988	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"264009"	668.234968	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1238907"	366.125368	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1723780"	366.148893	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1189865"	123.692418	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1661947"	371.104288	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"169169"	681.13824	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"608732"	983.24784	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1093972"	379.02864	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"146778"	341.072758	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"586333"	492.127558	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1075221"	190.017958	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1109173"	381.043192	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1344828"	381.130807	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1015547"	385.169976	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1535859"	386.163608	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"1000119"	193.088626	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1600091"	387.078228	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1424657"	417.109738	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1161141"	213.601901	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1709968"	434.136285	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1648896"	439.09168	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1574706"	455.06562	"C19466"	"Naphtho21-afluoranthene;Dibenzajaceanthrylene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"812730"	302.1096	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M"	0
"984076"	283.09121	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-H2O-H"	-19.01839
"66851"	200.399124	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M-3H"	-3.021828
"507504"	301.102324	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M-3H"	-3.021828
"886397"	99.695924	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-3H"	-3.021828
"3878"	301.102324	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M-2H"	-2.014552
"440884"	452.157124	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M-2H"	-2.014552
"827806"	150.047524	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-2H"	-2.014552
"91084"	603.211924	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M-H"	-1.007276
"531497"	905.321524	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M-H"	-1.007276
"904076"	301.102324	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-H"	-1.007276
"55169"	620.238471	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M-2H+NH4"	16.019271
"491448"	922.348071	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M-2H+NH4"	16.019271
"867060"	318.128871	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-2H+NH4"	16.019271
"32893"	625.193866	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M-2H+Na"	20.974666
"472575"	927.303466	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M-2H+Na"	20.974666
"854515"	323.084266	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-2H+Na"	20.974666
"1621494"	323.084266	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Na-2H"	20.974666
"97659"	319.090663	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M-H+Cl"	33.962126
"539040"	470.145463	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M-H+Cl"	33.962126
"930729"	168.035863	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-H+Cl"	33.962126
"270742"	639.188602	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+Cl"	34.969402
"671196"	941.298202	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+Cl"	34.969402
"1281412"	337.079002	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Cl"	34.969402
"28342"	641.167806	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M-2H+K"	36.948606
"465714"	943.277406	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M-2H+K"	36.948606
"840237"	339.058206	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-2H+K"	36.948606
"1561539"	339.058206	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+K-2H"	36.948606
"947233"	347.107794	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-H+HCOOH"	44.998194
"366539"	649.217401	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+HCOOH-H"	44.998201
"347141"	663.233051	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+Hac-H"	59.013851
"1494151"	361.123451	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Hac-H"	59.013851
"961334"	369.089751	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-H+NaCOOH"	66.980151
"123366"	337.079002	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+2Cl"	69.938804
"561470"	488.133802	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+2Cl"	69.938804
"1031727"	186.024202	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2Cl"	69.938804
"1252403"	381.028485	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Br"	78.918885
"1317400"	383.084472	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Cl+HCOOH"	80.974872
"1331251"	405.066429	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Cl+NaCOOH"	102.956829
"921215"	415.095186	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M-H+CF3COOH"	112.985586
"1296829"	451.071864	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Cl+CF3COOH"	148.962264
"1372805"	267.096924	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H-2H2O"	-35.012676
"1385559"	285.1069	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H-H2O"	-17.0027
"285607"	605.226476	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+H"	1.007276
"677668"	907.336076	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+H"	1.007276
"1354015"	303.116876	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H"	1.007276
"126537"	303.116876	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+2H"	2.014552
"574494"	454.171676	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+2H"	2.014552
"1044384"	152.062076	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2H"	2.014552
"210100"	202.413676	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+3H"	3.021828
"650758"	303.116876	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+3H"	3.021828
"1169978"	101.710476	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+3H"	3.021828
"429971"	622.253023	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+NH4"	18.033823
"797530"	924.362623	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+NH4"	18.033823
"1695324"	320.143423	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+NH4"	18.033823
"341053"	311.6301495	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+H+NH4"	19.041099
"735660"	462.6849495	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+H+NH4"	19.041099
"1490208"	160.5753495	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H+NH4"	19.041099
"404513"	627.208418	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+Na"	22.989218
"761499"	929.318018	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+Na"	22.989218
"1608507"	325.098818	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Na"	22.989218
"316356"	314.107847	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+H+Na"	23.996494
"714246"	465.162647	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+H+Na"	23.996494
"1468067"	163.053047	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H+Na"	23.996494
"1060218"	109.03779	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2H+Na"	25.00377
"1265179"	335.143086	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+CH3OH+H"	33.033486
"385940"	643.182358	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+K"	38.963158
"745844"	945.291958	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+K"	38.963158
"1550812"	341.072758	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+K"	38.963158
"308352"	322.094817	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+H+K"	39.970434
"703690"	473.149617	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+H+K"	39.970434
"1456781"	171.040017	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H+K"	39.970434
"246476"	646.253026	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+ACN+H"	42.033826
"1224290"	344.143426	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+ACN+H"	42.033826
"1206349"	172.575351	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+ACN+2H"	43.041102
"202501"	649.19036	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+2Na-H"	44.97116
"640238"	951.29996	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+2Na-H"	44.97116
"1143379"	347.08076	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2Na-H"	44.97116
"183387"	325.098818	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+2Na"	45.978436
"624781"	476.153618	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+2Na"	45.978436
"1129381"	174.044018	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2Na"	45.978436
"1410351"	116.365104	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H+2Na"	46.985712
"1443925"	349.122346	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H+HCOOH"	47.012746
"231792"	330.13184	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+3H2O+2H"	56.04448
"1517668"	363.17439	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+IsoProp+H"	61.06479
"416258"	333.085788	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+Na+K"	61.952376
"780536"	484.140588	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+Na+K"	61.952376
"1678328"	182.030988	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Na+K"	61.952376
"263755"	668.234968	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+ACN+Na"	64.015768
"1239747"	366.125368	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+ACN+Na"	64.015768
"1723161"	366.148893	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+NH4+HCOOH"	64.039293
"1188152"	123.692418	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+3Na"	68.967654
"1661692"	371.104288	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Na+HCOOH"	68.994688
"168185"	681.13824	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+2K-H"	76.91904
"608113"	983.24784	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+2K-H"	76.91904
"1095904"	379.02864	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2K-H"	76.91904
"151261"	341.072758	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"2M+2K"	77.926316
"589723"	492.127558	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"3M+2K"	77.926316
"1075331"	190.017958	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2K"	77.926316
"1108554"	381.043192	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2K+H"	78.933592
"1344938"	381.130807	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+DMSO+H"	79.021207
"1016384"	385.169976	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2ACN+H"	83.060376
"1534876"	386.163608	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+IsoProp+Na+H"	84.054008
"998042"	193.088626	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+2ACN+2H"	84.067652
"1599108"	387.078228	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+K+HCOOH"	84.968628
"1423674"	417.109738	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+H+CF3COOH"	115.000138
"1158335"	213.601901	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+3ACN+2H"	125.094202
"1708984"	434.136285	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+NH4+CF3COOH"	132.026685
"1647913"	439.09168	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+Na+CF3COOH"	136.98208
"1574816"	455.06562	"C19467"	"Naphtho23-epyrene;Dibenzodeqrnaphthacene"	"C24H14"	"302.1096"	"M+K+CF3COOH"	152.95602
"812840"	216.0317	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M"	0
"984186"	197.01331	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-H2O-H"	-19.01839
"66961"	143.013857333333	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M-3H"	-3.021828
"508707"	215.024424	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M-3H"	-3.021828
"885414"	71.0032906666667	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-3H"	-3.021828
"2895"	215.024424	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M-2H"	-2.014552
"442455"	323.040274	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M-2H"	-2.014552
"827916"	107.008574	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-2H"	-2.014552
"94240"	431.056124	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M-H"	-1.007276
"531850"	647.087824	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M-H"	-1.007276
"907466"	215.024424	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-H"	-1.007276
"58560"	448.082671	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M-2H+NH4"	16.019271
"498119"	664.114371	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M-2H+NH4"	16.019271
"872639"	232.050971	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-2H+NH4"	16.019271
"35070"	453.038066	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M-2H+Na"	20.974666
"474022"	669.069766	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M-2H+Na"	20.974666
"861185"	237.006366	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-2H+Na"	20.974666
"1621240"	237.006366	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Na-2H"	20.974666
"100685"	233.012763	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M-H+Cl"	33.962126
"539515"	341.028613	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M-H+Cl"	33.962126
"929748"	124.996913	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-H+Cl"	33.962126
"272674"	467.032802	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+Cl"	34.969402
"671306"	683.064502	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+Cl"	34.969402
"1281522"	251.001102	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Cl"	34.969402
"28452"	469.012006	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M-2H+K"	36.948606
"465824"	685.043706	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M-2H+K"	36.948606
"842534"	252.980306	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-2H+K"	36.948606
"1562742"	252.980306	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+K-2H"	36.948606
"948436"	261.029894	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-H+HCOOH"	44.998194
"366649"	477.061601	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+HCOOH-H"	44.998201
"348345"	491.077251	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+Hac-H"	59.013851
"1497178"	275.045551	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Hac-H"	59.013851
"960715"	283.011851	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-H+NaCOOH"	66.980151
"122016"	251.001102	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+2Cl"	69.938804
"558664"	359.016952	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+2Cl"	69.938804
"1029650"	142.985252	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2Cl"	69.938804
"1250326"	294.950585	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Br"	78.918885
"1316781"	297.006572	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Cl+HCOOH"	80.974872
"1333183"	318.988529	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Cl+NaCOOH"	102.956829
"922418"	329.017286	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M-H+CF3COOH"	112.985586
"1300217"	364.993964	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Cl+CF3COOH"	148.962264
"1377286"	181.019024	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H-2H2O"	-35.012676
"1384941"	199.029	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H-H2O"	-17.0027
"284261"	433.070676	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+H"	1.007276
"677046"	649.102376	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+H"	1.007276
"1353761"	217.038976	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H"	1.007276
"125743"	217.038976	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+2H"	2.014552
"576789"	325.054826	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+2H"	2.014552
"1043399"	109.023126	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2H"	2.014552
"214584"	145.028409333333	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+3H"	3.021828
"654147"	217.038976	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+3H"	3.021828
"1170088"	73.0178426666667	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+3H"	3.021828
"430081"	450.097223	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+NH4"	18.033823
"793264"	666.128923	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+NH4"	18.033823
"1691785"	234.065523	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+NH4"	18.033823
"343715"	225.5522495	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+H+NH4"	19.041099
"737835"	333.5680995	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+H+NH4"	19.041099
"1487398"	117.5363995	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H+NH4"	19.041099
"404986"	455.052618	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+Na"	22.989218
"762702"	671.084318	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+Na"	22.989218
"1614813"	239.020918	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Na"	22.989218
"324122"	228.029947	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+H+Na"	23.996494
"718367"	336.045797	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+H+Na"	23.996494
"1472916"	120.014097	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H+Na"	23.996494
"1066892"	80.3451566666667	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2H+Na"	25.00377
"1271488"	249.065186	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+CH3OH+H"	33.033486
"391884"	471.026558	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+K"	38.963158
"753449"	687.058258	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+K"	38.963158
"1554573"	254.994858	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+K"	38.963158
"313652"	236.016917	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+H+K"	39.970434
"706805"	344.032767	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+H+K"	39.970434
"1460667"	128.001067	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H+K"	39.970434
"251172"	474.097226	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+ACN+H"	42.033826
"1223675"	258.065526	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+ACN+H"	42.033826
"1209858"	129.536401	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+ACN+2H"	43.041102
"204036"	477.03456	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+2Na-H"	44.97116
"641806"	693.06626	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+2Na-H"	44.97116
"1146968"	261.00286	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2Na-H"	44.97116
"186777"	239.020918	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+2Na"	45.978436
"622342"	347.036768	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+2Na"	45.978436
"1126940"	131.005068	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2Na"	45.978436
"1411919"	87.6724706666667	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H+2Na"	46.985712
"1445131"	263.044446	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H+HCOOH"	47.012746
"234090"	244.05394	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+3H2O+2H"	56.04448
"1521058"	277.09649	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+IsoProp+H"	61.06479
"417461"	247.007888	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+Na+K"	61.952376
"781740"	355.023738	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+Na+K"	61.952376
"1679164"	138.992038	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Na+K"	61.952376
"264590"	496.079168	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+ACN+Na"	64.015768
"1240912"	280.047468	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+ACN+Na"	64.015768
"1724731"	280.070993	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+NH4+HCOOH"	64.039293
"1189351"	94.9997846666667	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+3Na"	68.967654
"1661437"	285.026388	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Na+HCOOH"	68.994688
"168294"	508.98244	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+2K-H"	76.91904
"606761"	725.01414	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+2K-H"	76.91904
"1094554"	292.95074	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2K-H"	76.91904
"151371"	254.994858	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"2M+2K"	77.926316
"590929"	363.010708	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"3M+2K"	77.926316
"1076534"	146.979008	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2K"	77.926316
"1107571"	294.965292	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2K+H"	78.933592
"1346141"	295.052907	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+DMSO+H"	79.021207
"1015401"	299.092076	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2ACN+H"	83.060376
"1532799"	300.085708	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+IsoProp+Na+H"	84.054008
"998151"	150.049676	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+2ACN+2H"	84.067652
"1597031"	301.000328	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+K+HCOOH"	84.968628
"1423784"	331.031838	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+H+CF3COOH"	115.000138
"1157352"	170.562951	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+3ACN+2H"	125.094202
"1706907"	348.058385	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+NH4+CF3COOH"	132.026685
"1645836"	353.01378	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+Na+CF3COOH"	136.98208
"1574926"	368.98772	"C19468"	"Nithiazide"	"C6H8N4O3S"	"216.0317"	"M+K+CF3COOH"	152.95602
"814043"	168.0535	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M"	0
"984296"	149.03511	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-H2O-H"	-19.01839
"67071"	111.028390666667	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M-3H"	-3.021828
"508817"	167.046224	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M-3H"	-3.021828
"885524"	55.0105573333333	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-3H"	-3.021828
"3005"	167.046224	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M-2H"	-2.014552
"444752"	251.072974	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M-2H"	-2.014552
"824746"	83.019474	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-2H"	-2.014552
"91302"	335.099724	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M-H"	-1.007276
"530867"	503.153224	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M-H"	-1.007276
"903202"	167.046224	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-H"	-1.007276
"54296"	352.126271	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M-2H+NH4"	16.019271
"497136"	520.179771	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M-2H+NH4"	16.019271
"867281"	184.072771	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-2H+NH4"	16.019271
"34086"	357.081666	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M-2H+Na"	20.974666
"473646"	525.135166	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M-2H+Na"	20.974666
"858015"	189.028166	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-2H+Na"	20.974666
"1620621"	189.028166	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Na-2H"	20.974666
"100795"	185.034563	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M-H+Cl"	33.962126
"539261"	269.061313	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M-H+Cl"	33.962126
"931314"	101.007813	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-H+Cl"	33.962126
"274608"	371.076402	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+Cl"	34.969402
"671416"	539.129902	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+Cl"	34.969402
"1280539"	203.022902	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Cl"	34.969402
"28562"	373.055606	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M-2H+K"	36.948606
"465934"	541.109106	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M-2H+K"	36.948606
"841551"	205.002106	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-2H+K"	36.948606
"1561759"	205.002106	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+K-2H"	36.948606
"948546"	213.051694	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-H+HCOOH"	44.998194
"365666"	381.105201	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+HCOOH-H"	44.998201
"348090"	395.120851	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+Hac-H"	59.013851
"1498382"	227.067351	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Hac-H"	59.013851
"960461"	235.033651	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-H+NaCOOH"	66.980151
"122490"	203.022902	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+2Cl"	69.938804
"558774"	287.049652	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+2Cl"	69.938804
"1029760"	118.996152	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2Cl"	69.938804
"1251529"	246.972385	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Br"	78.918885
"1316162"	249.028372	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Cl+HCOOH"	80.974872
"1333293"	271.010329	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Cl+NaCOOH"	102.956829
"922528"	281.039086	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M-H+CF3COOH"	112.985586
"1301420"	317.015764	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Cl+CF3COOH"	148.962264
"1376303"	133.040824	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H-2H2O"	-35.012676
"1385415"	151.0508	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H-H2O"	-17.0027
"285100"	337.114276	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+H"	1.007276
"678250"	505.167776	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+H"	1.007276
"1355693"	169.060776	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H"	1.007276
"126066"	169.060776	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+2H"	2.014552
"577992"	253.087526	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+2H"	2.014552
"1043509"	85.034026	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2H"	2.014552
"208131"	113.042942666667	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+3H"	3.021828
"650245"	169.060776	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+3H"	3.021828
"1169105"	57.0251093333333	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+3H"	3.021828
"430190"	354.140823	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+NH4"	18.033823
"788632"	522.194323	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+NH4"	18.033823
"1683870"	186.087323	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+NH4"	18.033823
"339079"	177.5740495	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+H+NH4"	19.041099
"728219"	261.6007995	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+H+NH4"	19.041099
"1479486"	93.5472995	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H+NH4"	19.041099
"404003"	359.096218	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+Na"	22.989218
"758439"	527.149718	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+Na"	22.989218
"1613100"	191.042718	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Na"	22.989218
"320950"	180.051747	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+H+Na"	23.996494
"715559"	264.078497	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+H+Na"	23.996494
"1471566"	96.024997	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H+Na"	23.996494
"1065908"	64.3524233333333	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2H+Na"	25.00377
"1272205"	201.086986	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+CH3OH+H"	33.033486
"391629"	375.070158	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+K"	38.963158
"752623"	543.123658	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+K"	38.963158
"1554680"	207.016658	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+K"	38.963158
"313315"	188.038717	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+H+K"	39.970434
"706751"	272.065467	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+H+K"	39.970434
"1460284"	104.011967	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H+K"	39.970434
"251282"	378.140826	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+ACN+H"	42.033826
"1225471"	210.087326	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+ACN+H"	42.033826
"1208393"	105.547301	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+ACN+2H"	43.041102
"203451"	381.07816	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+2Na-H"	44.97116
"643131"	549.13166	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+2Na-H"	44.97116
"1144690"	213.02466	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2Na-H"	44.97116
"183606"	191.042718	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+2Na"	45.978436
"625364"	275.069468	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+2Na"	45.978436
"1130570"	107.015968	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2Na"	45.978436
"1412391"	71.6797373333333	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H+2Na"	46.985712
"1444871"	215.066246	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H+HCOOH"	47.012746
"232741"	196.07574	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+3H2O+2H"	56.04448
"1520073"	229.11829	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+IsoProp+H"	61.06479
"415384"	199.029688	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+Na+K"	61.952376
"780755"	283.056438	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+Na+K"	61.952376
"1680004"	115.002938	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Na+K"	61.952376
"264700"	400.122768	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+ACN+Na"	64.015768
"1241210"	232.069268	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+ACN+Na"	64.015768
"1725202"	232.092793	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+NH4+HCOOH"	64.039293
"1190554"	79.0070513333333	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+3Na"	68.967654
"1660450"	237.048188	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Na+HCOOH"	68.994688
"167310"	413.02604	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+2K-H"	76.91904
"606868"	581.07954	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+2K-H"	76.91904
"1094661"	244.97254	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2K-H"	76.91904
"149290"	207.016658	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"2M+2K"	77.926316
"585570"	291.043408	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"3M+2K"	77.926316
"1071176"	122.989908	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2K"	77.926316
"1108774"	246.987092	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2K+H"	78.933592
"1346251"	247.074707	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+DMSO+H"	79.021207
"1018058"	251.113876	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2ACN+H"	83.060376
"1532903"	252.107508	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+IsoProp+Na+H"	84.054008
"999350"	126.060576	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+2ACN+2H"	84.067652
"1597138"	253.022128	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+K+HCOOH"	84.968628
"1423892"	283.053638	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+H+CF3COOH"	115.000138
"1157459"	146.573851	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+3ACN+2H"	125.094202
"1708111"	300.080185	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+NH4+CF3COOH"	132.026685
"1639385"	305.03558	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+Na+CF3COOH"	136.98208
"1571755"	321.00952	"C19469"	"5-Nitro-ortho-anisidine;2-Methoxy-5-nitroaniline"	"C7H8N2O3"	"168.0535"	"M+K+CF3COOH"	152.95602
"814153"	223.0633	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M"	0
"984406"	204.04491	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-H2O-H"	-19.01839
"66087"	147.701590666667	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M-3H"	-3.021828
"508927"	222.056024	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M-3H"	-3.021828
"885635"	73.3471573333333	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-3H"	-3.021828
"7489"	222.056024	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M-2H"	-2.014552
"445956"	333.587674	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M-2H"	-2.014552
"824856"	110.524374	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-2H"	-2.014552
"89225"	445.119324	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M-H"	-1.007276
"532436"	668.182624	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M-H"	-1.007276
"902218"	222.056024	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-H"	-1.007276
"59511"	462.145871	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M-2H+NH4"	16.019271
"493967"	685.209171	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M-2H+NH4"	16.019271
"866661"	239.082571	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-2H+NH4"	16.019271
"32737"	467.101266	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M-2H+Na"	20.974666
"475946"	690.164566	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M-2H+Na"	20.974666
"858125"	244.037966	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-2H+Na"	20.974666
"1626564"	244.037966	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Na-2H"	20.974666
"105280"	240.044363	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M-H+Cl"	33.962126
"539372"	351.576013	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M-H+Cl"	33.962126
"932885"	128.512713	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-H+Cl"	33.962126
"272534"	481.096002	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+Cl"	34.969402
"671526"	704.159302	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+Cl"	34.969402
"1281742"	258.032702	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Cl"	34.969402
"25392"	483.075206	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M-2H+K"	36.948606
"462765"	706.138506	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M-2H+K"	36.948606
"844942"	260.011906	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-2H+K"	36.948606
"1562963"	260.011906	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+K-2H"	36.948606
"945377"	268.061494	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-H+HCOOH"	44.998194
"367964"	491.124801	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+HCOOH-H"	44.998201
"347836"	505.140451	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+Hac-H"	59.013851
"1500679"	282.077151	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Hac-H"	59.013851
"961664"	290.043451	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-H+NaCOOH"	66.980151
"122600"	258.032702	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+2Cl"	69.938804
"559978"	369.564352	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+2Cl"	69.938804
"1032057"	146.501052	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2Cl"	69.938804
"1251637"	301.982185	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Br"	78.918885
"1317365"	304.038172	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Cl+HCOOH"	80.974872
"1334498"	326.020129	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Cl+NaCOOH"	102.956829
"924461"	336.048886	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M-H+CF3COOH"	112.985586
"1299345"	372.025564	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Cl+CF3COOH"	148.962264
"1377506"	188.050624	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H-2H2O"	-35.012676
"1384069"	206.0606	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H-H2O"	-17.0027
"284116"	447.133876	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+H"	1.007276
"677268"	670.197176	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+H"	1.007276
"1354710"	224.070576	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H"	1.007276
"130879"	224.070576	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+2H"	2.014552
"577009"	335.602226	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+2H"	2.014552
"1043619"	112.538926	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2H"	2.014552
"208241"	149.716142666667	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+3H"	3.021828
"649991"	224.070576	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+3H"	3.021828
"1170307"	75.3617093333333	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+3H"	3.021828
"429207"	464.160423	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+NH4"	18.033823
"787649"	687.223723	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+NH4"	18.033823
"1686534"	241.097123	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+NH4"	18.033823
"334084"	232.5838495	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+H+NH4"	19.041099
"727236"	344.1154995	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+H+NH4"	19.041099
"1478503"	121.0521995	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H+NH4"	19.041099
"404113"	469.115818	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+Na"	22.989218
"761831"	692.179118	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+Na"	22.989218
"1612119"	246.052518	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Na"	22.989218
"321062"	235.061547	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+H+Na"	23.996494
"716763"	346.593197	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+H+Na"	23.996494
"1471677"	123.529897	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H+Na"	23.996494
"1063830"	82.6890233333333	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2H+Na"	25.00377
"1267696"	256.096786	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+CH3OH+H"	33.033486
"391738"	485.089758	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+K"	38.963158
"752732"	708.153058	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+K"	38.963158
"1554789"	262.026458	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+K"	38.963158
"313426"	243.048517	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+H+K"	39.970434
"707065"	354.580167	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+H+K"	39.970434
"1461255"	131.516867	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H+K"	39.970434
"250945"	488.160426	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+ACN+H"	42.033826
"1225483"	265.097126	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+ACN+H"	42.033826
"1209727"	133.052201	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+ACN+2H"	43.041102
"203320"	491.09776	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+2Na-H"	44.97116
"642634"	714.16106	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+2Na-H"	44.97116
"1146631"	268.03446	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2Na-H"	44.97116
"183717"	246.052518	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+2Na"	45.978436
"624745"	357.584168	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+2Na"	45.978436
"1129951"	134.520868	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2Na"	45.978436
"1412262"	90.0163373333333	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H+2Na"	46.985712
"1444254"	270.076046	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H+HCOOH"	47.012746
"234558"	251.08554	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+3H2O+2H"	56.04448
"1521643"	284.12809	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+IsoProp+H"	61.06479
"418776"	254.039488	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+Na+K"	61.952376
"780865"	365.571138	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+Na+K"	61.952376
"1679385"	142.507838	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Na+K"	61.952376
"264816"	510.142368	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+ACN+Na"	64.015768
"1240445"	287.079068	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+ACN+Na"	64.015768
"1723858"	287.102593	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+NH4+HCOOH"	64.039293
"1191034"	97.3436513333333	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+3Na"	68.967654
"1659832"	292.057988	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Na+HCOOH"	68.994688
"167423"	523.04564	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+2K-H"	76.91904
"607714"	746.10894	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+2K-H"	76.91904
"1093317"	299.98234	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2K-H"	76.91904
"151588"	262.026458	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"2M+2K"	77.926316
"590054"	373.558108	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"3M+2K"	77.926316
"1071286"	150.494808	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2K"	77.926316
"1107791"	301.996892	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2K+H"	78.933592
"1345268"	302.084507	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+DMSO+H"	79.021207
"1017075"	306.123676	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2ACN+H"	83.060376
"1535199"	307.117308	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+IsoProp+Na+H"	84.054008
"999463"	153.565476	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+2ACN+2H"	84.067652
"1595062"	308.031928	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+K+HCOOH"	84.968628
"1425097"	338.063438	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+H+CF3COOH"	115.000138
"1155382"	174.078751	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+3ACN+2H"	125.094202
"1704935"	355.089985	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+NH4+CF3COOH"	132.026685
"1637308"	360.04538	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+Na+CF3COOH"	136.98208
"1571540"	376.01932	"C19470"	"9-Nitroanthracene"	"C14H9NO2"	"223.0633"	"M+K+CF3COOH"	152.95602
"813170"	273.079	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M"	0
"984516"	254.06061	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-H2O-H"	-19.01839
"65468"	181.045390666667	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M-3H"	-3.021828
"509037"	272.071724	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M-3H"	-3.021828
"886838"	90.0190573333333	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-3H"	-3.021828
"4319"	272.071724	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M-2H"	-2.014552
"444972"	408.611224	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M-2H"	-2.014552
"824966"	135.532224	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-2H"	-2.014552
"89335"	545.150724	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M-H"	-1.007276
"531698"	818.229724	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M-H"	-1.007276
"902329"	272.071724	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-H"	-1.007276
"50144"	562.177271	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M-2H+NH4"	16.019271
"491525"	835.256271	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M-2H+NH4"	16.019271
"866771"	289.098271	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-2H+NH4"	16.019271
"32848"	567.132666	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M-2H+Na"	20.974666
"476420"	840.211666	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M-2H+Na"	20.974666
"856047"	294.053666	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-2H+Na"	20.974666
"1626674"	294.053666	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Na-2H"	20.974666
"101017"	290.060063	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M-H+Cl"	33.962126
"537294"	426.599563	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M-H+Cl"	33.962126
"930443"	153.520563	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-H+Cl"	33.962126
"273737"	581.127402	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+Cl"	34.969402
"672366"	854.206402	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+Cl"	34.969402
"1281852"	308.048402	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Cl"	34.969402
"25502"	583.106606	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M-2H+K"	36.948606
"457408"	856.185606	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M-2H+K"	36.948606
"841772"	310.027606	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-2H+K"	36.948606
"1561980"	310.027606	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+K-2H"	36.948606
"943014"	318.077194	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-H+HCOOH"	44.998194
"363700"	591.156201	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+HCOOH-H"	44.998201
"347216"	605.171851	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+Hac-H"	59.013851
"1495322"	332.092851	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Hac-H"	59.013851
"961409"	340.059151	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-H+NaCOOH"	66.980151
"122710"	308.048402	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+2Cl"	69.938804
"562274"	444.587902	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+2Cl"	69.938804
"1031073"	171.508902	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2Cl"	69.938804
"1252839"	351.997885	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Br"	78.918885
"1318204"	354.053872	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Cl+HCOOH"	80.974872
"1333513"	376.035829	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Cl+NaCOOH"	102.956829
"924935"	386.064586	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M-H+CF3COOH"	112.985586
"1300548"	422.041264	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Cl+CF3COOH"	148.962264
"1367774"	238.066324	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H-2H2O"	-35.012676
"1385270"	256.0763	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H-H2O"	-17.0027
"287143"	547.165276	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+H"	1.007276
"677375"	820.244276	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+H"	1.007276
"1355913"	274.086276	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H"	1.007276
"126249"	274.086276	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+2H"	2.014552
"577119"	410.625776	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+2H"	2.014552
"1044093"	137.546776	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2H"	2.014552
"208715"	183.059942666667	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+3H"	3.021828
"649736"	274.086276	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+3H"	3.021828
"1168231"	92.0336093333333	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+3H"	3.021828
"430410"	564.191823	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+NH4"	18.033823
"789216"	837.270823	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+NH4"	18.033823
"1686644"	291.112823	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+NH4"	18.033823
"334923"	282.5995495	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+H+NH4"	19.041099
"728439"	419.1390495	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+H+NH4"	19.041099
"1478613"	146.0600495	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H+NH4"	19.041099
"403859"	569.147218	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+Na"	22.989218
"756107"	842.226218	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+Na"	22.989218
"1608948"	296.068218	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Na"	22.989218
"317891"	285.077247	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+H+Na"	23.996494
"712499"	421.616747	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+H+Na"	23.996494
"1463038"	148.537747	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H+Na"	23.996494
"1060660"	99.3609233333333	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2H+Na"	25.00377
"1261244"	306.112486	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+CH3OH+H"	33.033486
"386381"	585.121158	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+K"	38.963158
"750291"	858.200158	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+K"	38.963158
"1552345"	312.042158	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+K"	38.963158
"311347"	293.064217	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+H+K"	39.970434
"704861"	429.603717	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+H+K"	39.970434
"1460018"	156.524717	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H+K"	39.970434
"250078"	588.191826	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+ACN+H"	42.033826
"1224369"	315.112826	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+ACN+H"	42.033826
"1208252"	158.060051	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+ACN+2H"	43.041102
"199298"	591.12916	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+2Na-H"	44.97116
"642136"	864.20816	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+2Na-H"	44.97116
"1146131"	318.05016	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2Na-H"	44.97116
"180547"	296.068218	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+2Na"	45.978436
"621207"	432.607718	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+2Na"	45.978436
"1128967"	159.528718	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2Na"	45.978436
"1411397"	106.688237333333	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H+2Na"	46.985712
"1443027"	320.091746	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H+HCOOH"	47.012746
"230046"	301.10124	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+3H2O+2H"	56.04448
"1520295"	334.14379	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+IsoProp+H"	61.06479
"418886"	304.055188	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+Na+K"	61.952376
"779878"	440.594688	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+Na+K"	61.952376
"1674023"	167.515688	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Na+K"	61.952376
"264920"	610.173768	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+ACN+Na"	64.015768
"1237998"	337.094768	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+ACN+Na"	64.015768
"1724332"	337.118293	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+NH4+HCOOH"	64.039293
"1188590"	114.015551333333	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+3Na"	68.967654
"1661033"	342.073688	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Na+HCOOH"	68.994688
"168258"	623.07704	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+2K-H"	76.91904
"606727"	896.15604	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+2K-H"	76.91904
"1092334"	349.99804	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2K-H"	76.91904
"150604"	312.042158	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"2M+2K"	77.926316
"587977"	448.581658	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"3M+2K"	77.926316
"1070302"	175.502658	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2K"	77.926316
"1106808"	352.012592	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2K+H"	78.933592
"1344284"	352.100207	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+DMSO+H"	79.021207
"1014998"	356.139376	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2ACN+H"	83.060376
"1534216"	357.133008	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+IsoProp+Na+H"	84.054008
"999573"	178.573326	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+2ACN+2H"	84.067652
"1595172"	358.047628	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+K+HCOOH"	84.968628
"1423021"	388.079138	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+H+CF3COOH"	115.000138
"1155492"	199.086601	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+3ACN+2H"	125.094202
"1705045"	405.105685	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+NH4+CF3COOH"	132.026685
"1637418"	410.06108	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+Na+CF3COOH"	136.98208
"1571975"	426.03502	"C19471"	"7-Nitrobenzaanthracene"	"C18H11NO2"	"273.079"	"M+K+CF3COOH"	152.95602
"813280"	297.079	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M"	0
"984626"	278.06061	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-H2O-H"	-19.01839
"65214"	197.045390666667	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M-3H"	-3.021828
"509147"	296.071724	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M-3H"	-3.021828
"886948"	98.0190573333333	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-3H"	-3.021828
"4429"	296.071724	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M-2H"	-2.014552
"447268"	444.611224	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M-2H"	-2.014552
"820702"	147.532224	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-2H"	-2.014552
"83977"	593.150724	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M-H"	-1.007276
"532291"	890.229724	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M-H"	-1.007276
"906813"	296.071724	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-H"	-1.007276
"52441"	610.177271	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M-2H+NH4"	16.019271
"494187"	907.256271	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M-2H+NH4"	16.019271
"868339"	313.098271	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-2H+NH4"	16.019271
"34051"	615.132666	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M-2H+Na"	20.974666
"476166"	912.211666	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M-2H+Na"	20.974666
"856157"	318.053666	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-2H+Na"	20.974666
"1626784"	318.053666	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Na-2H"	20.974666
"102220"	314.060063	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M-H+Cl"	33.962126
"537769"	462.599563	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M-H+Cl"	33.962126
"931282"	165.520563	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-H+Cl"	33.962126
"273847"	629.127402	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+Cl"	34.969402
"671019"	926.206402	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+Cl"	34.969402
"1281962"	332.048402	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Cl"	34.969402
"25612"	631.106606	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M-2H+K"	36.948606
"460798"	928.185606	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M-2H+K"	36.948606
"840789"	334.027606	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-2H+K"	36.948606
"1559903"	334.027606	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+K-2H"	36.948606
"945596"	342.077194	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-H+HCOOH"	44.998194
"364904"	639.156201	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+HCOOH-H"	44.998201
"349878"	653.171851	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+Hac-H"	59.013851
"1497619"	356.092851	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Hac-H"	59.013851
"961155"	364.059151	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-H+NaCOOH"	66.980151
"122820"	332.048402	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+2Cl"	69.938804
"560198"	480.587902	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+2Cl"	69.938804
"1033370"	183.508902	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2Cl"	69.938804
"1251856"	375.997885	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Br"	78.918885
"1312117"	378.053872	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Cl+HCOOH"	80.974872
"1332529"	400.035829	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Cl+NaCOOH"	102.956829
"920670"	410.064586	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M-H+CF3COOH"	112.985586
"1294097"	446.041264	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Cl+CF3COOH"	148.962264
"1370070"	262.066324	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H-2H2O"	-35.012676
"1386473"	280.0763	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H-H2O"	-17.0027
"288346"	595.165276	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+H"	1.007276
"677486"	892.244276	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+H"	1.007276
"1356023"	298.086276	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H"	1.007276
"127088"	298.086276	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+2H"	2.014552
"576136"	446.625776	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+2H"	2.014552
"1043110"	149.546776	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2H"	2.014552
"207732"	199.059942666667	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+3H"	3.021828
"650211"	298.086276	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+3H"	3.021828
"1168340"	100.033609333333	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+3H"	3.021828
"432706"	612.191823	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+NH4"	18.033823
"793700"	909.270823	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+NH4"	18.033823
"1688938"	315.112823	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+NH4"	18.033823
"336126"	306.5995495	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+H+NH4"	19.041099
"732921"	455.1390495	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+H+NH4"	19.041099
"1484551"	158.0600495	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H+NH4"	19.041099
"398855"	617.147218	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+Na"	22.989218
"757310"	914.226218	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+Na"	22.989218
"1605778"	320.068218	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Na"	22.989218
"318002"	309.077247	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+H+Na"	23.996494
"712609"	457.616747	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+H+Na"	23.996494
"1468615"	160.537747	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H+Na"	23.996494
"1060770"	107.360923333333	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2H+Na"	25.00377
"1261355"	330.112486	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+CH3OH+H"	33.033486
"384305"	633.121158	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+K"	38.963158
"747485"	930.200158	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+K"	38.963158
"1550271"	336.042158	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+K"	38.963158
"308541"	317.064217	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+H+K"	39.970434
"703513"	465.603717	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+H+K"	39.970434
"1458792"	168.524717	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H+K"	39.970434
"249217"	636.191826	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+ACN+H"	42.033826
"1223748"	339.112826	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+ACN+H"	42.033826
"1208118"	170.060051	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+ACN+2H"	43.041102
"198678"	639.12916	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+2Na-H"	44.97116
"642734"	936.20816	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+2Na-H"	44.97116
"1144293"	342.05016	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2Na-H"	44.97116
"180657"	320.068218	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+2Na"	45.978436
"618037"	468.607718	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+2Na"	45.978436
"1129196"	171.528718	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2Na"	45.978436
"1411627"	114.688237333333	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H+2Na"	46.985712
"1443865"	344.091746	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H+HCOOH"	47.012746
"232343"	325.10124	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+3H2O+2H"	56.04448
"1520405"	358.14379	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+IsoProp+H"	61.06479
"421912"	328.055188	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+Na+K"	61.952376
"777803"	476.594688	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+Na+K"	61.952376
"1674133"	179.515688	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Na+K"	61.952376
"260653"	658.173768	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+ACN+Na"	64.015768
"1234456"	361.094768	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+ACN+Na"	64.015768
"1724436"	361.118293	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+NH4+HCOOH"	64.039293
"1190519"	122.015551333333	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+3Na"	68.967654
"1661143"	366.073688	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Na+HCOOH"	68.994688
"168732"	671.07704	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+2K-H"	76.91904
"606837"	968.15604	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+2K-H"	76.91904
"1092444"	373.99804	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2K-H"	76.91904
"148527"	336.042158	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"2M+2K"	77.926316
"585900"	484.581658	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"3M+2K"	77.926316
"1070412"	187.502658	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2K"	77.926316
"1106918"	376.012592	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2K+H"	78.933592
"1342208"	376.100207	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+DMSO+H"	79.021207
"1015108"	380.139376	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2ACN+H"	83.060376
"1533234"	381.133008	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+IsoProp+Na+H"	84.054008
"999683"	190.573326	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+2ACN+2H"	84.067652
"1594190"	382.047628	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+K+HCOOH"	84.968628
"1422037"	412.079138	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+H+CF3COOH"	115.000138
"1155602"	211.086601	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+3ACN+2H"	125.094202
"1704062"	429.105685	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+NH4+CF3COOH"	132.026685
"1635341"	434.06108	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+Na+CF3COOH"	136.98208
"1571437"	450.03502	"C19472"	"6-Nitrobenzoapyrene"	"C20H11NO2"	"297.079"	"M+K+CF3COOH"	152.95602
"811206"	199.0633	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M"	0
"981457"	180.04491	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-H2O-H"	-19.01839
"70791"	131.701590666667	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M-3H"	-3.021828
"508163"	198.056024	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M-3H"	-3.021828
"885967"	65.3471573333333	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-3H"	-3.021828
"14390"	198.056024	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M-2H"	-2.014552
"446295"	297.587674	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M-2H"	-2.014552
"830420"	98.524374	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-2H"	-2.014552
"91747"	397.119324	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M-H"	-1.007276
"525840"	596.182624	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M-H"	-1.007276
"901454"	198.056024	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-H"	-1.007276
"53644"	414.145871	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M-2H+NH4"	16.019271
"491380"	613.209171	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M-2H+NH4"	16.019271
"867356"	215.082571	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-2H+NH4"	16.019271
"34898"	419.101266	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M-2H+Na"	20.974666
"473360"	618.164566	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M-2H+Na"	20.974666
"850188"	220.037966	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-2H+Na"	20.974666
"1623615"	220.037966	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Na-2H"	20.974666
"102330"	216.044363	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M-H+Cl"	33.962126
"538606"	315.576013	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M-H+Cl"	33.962126
"938326"	116.512713	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-H+Cl"	33.962126
"277246"	433.096002	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+Cl"	34.969402
"670764"	632.159302	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+Cl"	34.969402
"1287422"	234.032702	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Cl"	34.969402
"23536"	435.075206	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M-2H+K"	36.948606
"469660"	634.138506	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M-2H+K"	36.948606
"845641"	236.011906	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-2H+K"	36.948606
"1564387"	236.011906	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+K-2H"	36.948606
"946800"	244.061494	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-H+HCOOH"	44.998194
"365382"	443.124801	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+HCOOH-H"	44.998201
"358745"	457.140451	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+Hac-H"	59.013851
"1502115"	258.077151	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Hac-H"	59.013851
"967471"	266.043451	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-H+NaCOOH"	66.980151
"118563"	234.032702	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+2Cl"	69.938804
"560310"	333.564352	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+2Cl"	69.938804
"1031295"	134.501052	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2Cl"	69.938804
"1251965"	277.982185	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Br"	78.918885
"1315508"	280.038172	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Cl+HCOOH"	80.974872
"1328630"	302.020129	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Cl+NaCOOH"	102.956829
"921874"	312.048886	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M-H+CF3COOH"	112.985586
"1296396"	348.025564	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Cl+CF3COOH"	148.962264
"1373463"	164.050624	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H-2H2O"	-35.012676
"1385490"	182.0606	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H-H2O"	-17.0027
"289556"	399.133876	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+H"	1.007276
"678694"	598.197176	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+H"	1.007276
"1361611"	200.070576	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H"	1.007276
"134499"	200.070576	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+2H"	2.014552
"572968"	299.602226	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+2H"	2.014552
"1042859"	100.538926	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2H"	2.014552
"209672"	133.716142666667	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+3H"	3.021828
"651419"	200.070576	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+3H"	3.021828
"1170639"	67.3617093333333	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+3H"	3.021828
"430631"	416.160423	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+NH4"	18.033823
"791625"	615.223723	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+NH4"	18.033823
"1685768"	217.097123	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+NH4"	18.033823
"338420"	208.5838495	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+H+NH4"	19.041099
"726835"	308.1154995	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+H+NH4"	19.041099
"1487953"	109.0521995	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H+NH4"	19.041099
"397886"	421.115818	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+Na"	22.989218
"755237"	620.179118	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+Na"	22.989218
"1603942"	222.052518	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Na"	22.989218
"315924"	211.061547	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+H+Na"	23.996494
"712721"	310.593197	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+H+Na"	23.996494
"1469822"	111.529897	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H+Na"	23.996494
"1061975"	74.6890233333333	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2H+Na"	25.00377
"1262560"	232.096786	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+CH3OH+H"	33.033486
"385509"	437.089758	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+K"	38.963158
"743223"	636.153058	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+K"	38.963158
"1547464"	238.026458	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+K"	38.963158
"309014"	219.048517	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+H+K"	39.970434
"705080"	318.580167	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+H+K"	39.970434
"1457443"	119.516867	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H+K"	39.970434
"247138"	440.160426	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+ACN+H"	42.033826
"1217660"	241.097126	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+ACN+H"	42.033826
"1200450"	121.052201	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+ACN+2H"	43.041102
"195508"	443.09776	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+2Na-H"	44.97116
"638349"	642.16106	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+2Na-H"	44.97116
"1134201"	244.03446	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2Na-H"	44.97116
"175305"	222.052518	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+2Na"	45.978436
"614867"	321.584168	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+2Na"	45.978436
"1122746"	122.520868	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2Na"	45.978436
"1404081"	82.0163373333333	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H+2Na"	46.985712
"1435103"	246.076046	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H+HCOOH"	47.012746
"225892"	227.08554	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+3H2O+2H"	56.04448
"1518328"	260.12809	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+IsoProp+H"	61.06479
"420203"	230.039488	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+Na+K"	61.952376
"780103"	329.571138	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+Na+K"	61.952376
"1677527"	130.507838	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Na+K"	61.952376
"260767"	462.142368	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+ACN+Na"	64.015768
"1235661"	263.079068	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+ACN+Na"	64.015768
"1720175"	263.102593	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+NH4+HCOOH"	64.039293
"1188807"	89.3436513333333	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+3Na"	68.967654
"1660884"	268.057988	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Na+HCOOH"	68.994688
"166653"	475.04564	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+2K-H"	76.91904
"602932"	674.10894	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+2K-H"	76.91904
"1091819"	275.98234	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2K-H"	76.91904
"145354"	238.026458	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"2M+2K"	77.926316
"584919"	337.558108	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"3M+2K"	77.926316
"1078190"	138.494808	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2K"	77.926316
"1113591"	277.996892	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2K+H"	78.933592
"1351303"	278.084507	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+DMSO+H"	79.021207
"1015225"	282.123676	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2ACN+H"	83.060376
"1539673"	283.117308	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+IsoProp+Na+H"	84.054008
"1004172"	141.565476	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+2ACN+2H"	84.067652
"1593208"	284.031928	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+K+HCOOH"	84.968628
"1426522"	314.063438	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+H+CF3COOH"	115.000138
"1154623"	162.078751	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+3ACN+2H"	125.094202
"1706360"	331.089985	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+NH4+CF3COOH"	132.026685
"1634397"	336.04538	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+Na+CF3COOH"	136.98208
"1571507"	352.01932	"C19473"	"4-Nitrobiphenyl;4-Nitro-11-biphenyl"	"C12H9NO2"	"199.0633"	"M+K+CF3COOH"	152.95602
"816987"	173.0477	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M"	0
"976465"	154.02931	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H2O-H"	-19.01839
"67624"	114.357857333333	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-3H"	-3.021828
"508278"	172.040424	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-3H"	-3.021828
"888268"	56.6752906666667	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-3H"	-3.021828
"14869"	172.040424	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H"	-2.014552
"451873"	258.564274	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H"	-2.014552
"822020"	85.516574	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H"	-2.014552
"85296"	345.088124	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-H"	-1.007276
"523034"	518.135824	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-H"	-1.007276
"902660"	172.040424	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H"	-1.007276
"53753"	362.114671	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H+NH4"	16.019271
"499514"	535.162371	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H+NH4"	16.019271
"872213"	189.066971	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H+NH4"	16.019271
"43395"	367.070066	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H+Na"	20.974666
"485993"	540.117766	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H+Na"	20.974666
"856381"	194.022366	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H+Na"	20.974666
"1621539"	194.022366	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na-2H"	20.974666
"99162"	190.028763	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-H+Cl"	33.962126
"545281"	276.552613	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-H+Cl"	33.962126
"938800"	103.504913	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+Cl"	33.962126
"269336"	381.064802	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Cl"	34.969402
"673800"	554.112502	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+Cl"	34.969402
"1286204"	208.017102	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl"	34.969402
"30459"	383.044006	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M-2H+K"	36.948606
"470500"	556.091706	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M-2H+K"	36.948606
"845750"	209.996306	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-2H+K"	36.948606
"1568144"	209.996306	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K-2H"	36.948606
"953475"	218.045894	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+HCOOH"	44.998194
"372784"	391.093601	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+HCOOH-H"	44.998201
"358855"	405.109251	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Hac-H"	59.013851
"1506602"	232.061551	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Hac-H"	59.013851
"971955"	240.027851	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+NaCOOH"	66.980151
"124144"	208.017102	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2Cl"	69.938804
"562607"	294.540952	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2Cl"	69.938804
"1034687"	121.493252	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2Cl"	69.938804
"1249892"	251.966585	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Br"	78.918885
"1309425"	254.022572	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl+HCOOH"	80.974872
"1332022"	276.004529	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl+NaCOOH"	102.956829
"918706"	286.033286	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M-H+CF3COOH"	112.985586
"1293230"	322.009964	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Cl+CF3COOH"	148.962264
"1374670"	138.035024	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H-2H2O"	-35.012676
"1389979"	156.045	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H-H2O"	-17.0027
"289668"	347.102676	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H"	1.007276
"679901"	520.150376	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H"	1.007276
"1363907"	174.054976	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H"	1.007276
"136794"	174.054976	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2H"	2.014552
"574171"	260.578826	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2H"	2.014552
"1044062"	87.531126	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2H"	2.014552
"207596"	116.372409333333	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+3H"	3.021828
"650441"	174.054976	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+3H"	3.021828
"1170750"	58.6898426666667	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+3H"	3.021828
"434026"	364.129223	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+NH4"	18.033823
"791740"	537.176923	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+NH4"	18.033823
"1690258"	191.081523	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+NH4"	18.033823
"340724"	182.5682495	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H+NH4"	19.041099
"732051"	269.0920995	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H+NH4"	19.041099
"1490250"	96.0443995	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+NH4"	19.041099
"400183"	369.084618	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Na"	22.989218
"756807"	542.132318	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+Na"	22.989218
"1604537"	196.036918	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na"	22.989218
"317493"	185.045947	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H+Na"	23.996494
"716111"	271.569797	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H+Na"	23.996494
"1467746"	98.522097	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+Na"	23.996494
"1066459"	66.0171566666667	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2H+Na"	25.00377
"1268139"	206.081186	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+CH3OH+H"	33.033486
"391088"	385.058558	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+K"	38.963158
"753543"	558.106258	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+K"	38.963158
"1553408"	212.010858	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K"	38.963158
"305846"	193.032917	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+H+K"	39.970434
"702642"	279.556767	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+H+K"	39.970434
"1454275"	106.509067	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+K"	39.970434
"239595"	388.129226	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+ACN+H"	42.033826
"1216679"	215.081526	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+ACN+H"	42.033826
"1197645"	108.044401	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+ACN+2H"	43.041102
"192701"	391.06656	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2Na-H"	44.97116
"634087"	564.11426	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2Na-H"	44.97116
"1135404"	218.01886	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2Na-H"	44.97116
"175417"	196.036918	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2Na"	45.978436
"616067"	282.560768	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2Na"	45.978436
"1117510"	109.513068	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2Na"	45.978436
"1408569"	73.3444706666667	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+2Na"	46.985712
"1437405"	220.060446	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+HCOOH"	47.012746
"227098"	201.06994	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+3H2O+2H"	56.04448
"1516255"	234.11249	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+IsoProp+H"	61.06479
"422501"	204.023888	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+Na+K"	61.952376
"782401"	290.547738	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+Na+K"	61.952376
"1672173"	117.500038	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na+K"	61.952376
"265253"	410.111168	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+ACN+Na"	64.015768
"1237962"	237.063468	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+ACN+Na"	64.015768
"1721380"	237.086993	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+NH4+HCOOH"	64.039293
"1184547"	80.6717846666667	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+3Na"	68.967654
"1657718"	242.042388	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na+HCOOH"	68.994688
"167856"	423.01444	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2K-H"	76.91904
"599770"	596.06214	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2K-H"	76.91904
"1088651"	249.96674	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2K-H"	76.91904
"146562"	212.010858	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"2M+2K"	77.926316
"584057"	298.534708	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"3M+2K"	77.926316
"1081578"	125.487008	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2K"	77.926316
"1114921"	251.981292	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2K+H"	78.933592
"1347903"	252.068907	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+DMSO+H"	79.021207
"1017528"	256.108076	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2ACN+H"	83.060376
"1537837"	257.101708	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+IsoProp+Na+H"	84.054008
"1004163"	128.557676	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+2ACN+2H"	84.067652
"1601945"	258.016328	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K+HCOOH"	84.968628
"1427728"	288.047838	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+H+CF3COOH"	115.000138
"1160202"	149.070951	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+3ACN+2H"	125.094202
"1705379"	305.074385	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+NH4+CF3COOH"	132.026685
"1634587"	310.02978	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+Na+CF3COOH"	136.98208
"1572306"	326.00372	"C19474"	"2-Nitronaphthalene"	"C10H7NO2"	"173.0477"	"M+K+CF3COOH"	152.95602
"811422"	297.079	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M"	0
"983861"	278.06061	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-H2O-H"	-19.01839
"72105"	197.045390666667	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M-3H"	-3.021828
"508384"	296.071724	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M-3H"	-3.021828
"883998"	98.0190573333333	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-3H"	-3.021828
"13519"	296.071724	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M-2H"	-2.014552
"451983"	444.611224	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M-2H"	-2.014552
"822130"	147.532224	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-2H"	-2.014552
"82490"	593.150724	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M-H"	-1.007276
"524967"	890.229724	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M-H"	-1.007276
"899486"	296.071724	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-H"	-1.007276
"50213"	610.177271	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M-2H+NH4"	16.019271
"499989"	907.256271	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M-2H+NH4"	16.019271
"872323"	313.098271	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-2H+NH4"	16.019271
"43505"	615.132666	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M-2H+Na"	20.974666
"484160"	912.211666	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M-2H+Na"	20.974666
"854305"	318.053666	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-2H+Na"	20.974666
"1620920"	318.053666	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Na-2H"	20.974666
"99636"	314.060063	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M-H+Cl"	33.962126
"543205"	462.599563	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M-H+Cl"	33.962126
"937816"	165.520563	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-H+Cl"	33.962126
"270539"	629.127402	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+Cl"	34.969402
"673545"	926.206402	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+Cl"	34.969402
"1287892"	332.048402	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Cl"	34.969402
"30323"	631.106606	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M-2H+K"	36.948606
"464415"	928.185606	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M-2H+K"	36.948606
"844038"	334.027606	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-2H+K"	36.948606
"1566796"	334.027606	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+K-2H"	36.948606
"950305"	342.077194	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-H+HCOOH"	44.998194
"369614"	639.156201	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+HCOOH-H"	44.998201
"353499"	653.171851	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+Hac-H"	59.013851
"1507804"	356.092851	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Hac-H"	59.013851
"973158"	364.059151	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-H+NaCOOH"	66.980151
"123159"	332.048402	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+2Cl"	69.938804
"559438"	480.587902	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+2Cl"	69.938804
"1033704"	183.508902	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2Cl"	69.938804
"1252189"	375.997885	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Br"	78.918885
"1314637"	378.053872	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Cl+HCOOH"	80.974872
"1334319"	400.035829	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Cl+NaCOOH"	102.956829
"915537"	410.064586	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M-H+CF3COOH"	112.985586
"1293337"	446.041264	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Cl+CF3COOH"	148.962264
"1371500"	262.066324	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H-2H2O"	-35.012676
"1386809"	280.0763	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H-H2O"	-17.0027
"289778"	595.165276	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+H"	1.007276
"678552"	892.244276	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+H"	1.007276
"1360737"	298.086276	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H"	1.007276
"134717"	298.086276	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+2H"	2.014552
"575374"	446.625776	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+2H"	2.014552
"1044172"	149.546776	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2H"	2.014552
"207708"	199.059942666667	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+3H"	3.021828
"646542"	298.086276	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+3H"	3.021828
"1168674"	100.033609333333	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+3H"	3.021828
"430853"	612.191823	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+NH4"	18.033823
"790028"	909.270823	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+NH4"	18.033823
"1687089"	315.112823	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+NH4"	18.033823
"334272"	306.5995495	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+H+NH4"	19.041099
"729975"	455.1390495	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+H+NH4"	19.041099
"1490361"	158.0600495	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H+NH4"	19.041099
"399200"	617.147218	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+Na"	22.989218
"758010"	914.226218	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+Na"	22.989218
"1603676"	320.068218	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Na"	22.989218
"315417"	309.077247	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+H+Na"	23.996494
"717315"	457.616747	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+H+Na"	23.996494
"1471137"	160.537747	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H+Na"	23.996494
"1065475"	107.360923333333	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2H+Na"	25.00377
"1268249"	330.112486	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+CH3OH+H"	33.033486
"389012"	633.121158	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+K"	38.963158
"752195"	930.200158	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+K"	38.963158
"1553153"	336.042158	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+K"	38.963158
"301217"	317.064217	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+H+K"	39.970434
"700565"	465.603717	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+H+K"	39.970434
"1453290"	168.524717	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H+K"	39.970434
"241892"	636.191826	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+ACN+H"	42.033826
"1215696"	339.112826	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+ACN+H"	42.033826
"1197392"	170.060051	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+ACN+2H"	43.041102
"192447"	639.12916	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+2Na-H"	44.97116
"634197"	936.20816	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+2Na-H"	44.97116
"1135879"	342.05016	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2Na-H"	44.97116
"175890"	320.068218	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+2Na"	45.978436
"615449"	468.607718	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+2Na"	45.978436
"1118595"	171.528718	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2Na"	45.978436
"1408679"	114.688237333333	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H+2Na"	46.985712
"1437515"	344.091746	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H+HCOOH"	47.012746
"227208"	325.10124	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+3H2O+2H"	56.04448
"1516364"	358.14379	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+IsoProp+H"	61.06479
"418237"	328.055188	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+Na+K"	61.952376
"780324"	476.594688	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+Na+K"	61.952376
"1673377"	179.515688	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Na+K"	61.952376
"263177"	658.173768	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+ACN+Na"	64.015768
"1234793"	361.094768	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+ACN+Na"	64.015768
"1720396"	361.118293	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+NH4+HCOOH"	64.039293
"1184657"	122.015551333333	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+3Na"	68.967654
"1654550"	366.073688	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Na+HCOOH"	68.994688
"164687"	671.07704	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+2K-H"	76.91904
"600970"	968.15604	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+2K-H"	76.91904
"1087668"	373.99804	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2K-H"	76.91904
"147765"	336.042158	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"2M+2K"	77.926316
"584046"	484.581658	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"3M+2K"	77.926316
"1082296"	187.502658	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2K"	77.926316
"1115319"	376.012592	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2K+H"	78.933592
"1348985"	376.100207	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+DMSO+H"	79.021207
"1018610"	380.139376	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2ACN+H"	83.060376
"1537827"	381.133008	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+IsoProp+Na+H"	84.054008
"1003301"	190.573326	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+2ACN+2H"	84.067652
"1599990"	382.047628	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+K+HCOOH"	84.968628
"1426744"	412.079138	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+H+CF3COOH"	115.000138
"1161406"	211.086601	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+3ACN+2H"	125.094202
"1708769"	429.105685	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+NH4+CF3COOH"	132.026685
"1636764"	434.06108	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+Na+CF3COOH"	136.98208
"1572416"	450.03502	"C19475"	"3-Nitroperylene"	"C20H11NO2"	"297.079"	"M+K+CF3COOH"	152.95602
"811532"	247.0633	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M"	0
"985064"	228.04491	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H2O-H"	-19.01839
"71122"	163.701590666667	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-3H"	-3.021828
"508494"	246.056024	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-3H"	-3.021828
"884108"	81.3471573333333	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-3H"	-3.021828
"11442"	246.056024	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H"	-2.014552
"446625"	369.587674	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H"	-2.014552
"821147"	122.524374	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H"	-2.014552
"92080"	493.119324	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-H"	-1.007276
"525077"	740.182624	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-H"	-1.007276
"898137"	246.056024	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H"	-1.007276
"49595"	510.145871	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+NH4"	16.019271
"499005"	757.209171	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+NH4"	16.019271
"873526"	263.082571	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+NH4"	16.019271
"42521"	515.101266	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+Na"	20.974666
"483175"	762.164566	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+Na"	20.974666
"855508"	268.037966	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+Na"	20.974666
"1619207"	268.037966	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na-2H"	20.974666
"99382"	264.044363	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-H+Cl"	33.962126
"541128"	387.576013	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-H+Cl"	33.962126
"933552"	140.512713	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+Cl"	33.962126
"269192"	529.096002	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Cl"	34.969402
"674020"	776.159302	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Cl"	34.969402
"1286423"	282.032702	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl"	34.969402
"28246"	531.075206	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M-2H+K"	36.948606
"468898"	778.138506	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M-2H+K"	36.948606
"843417"	284.011906	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-2H+K"	36.948606
"1564718"	284.011906	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K-2H"	36.948606
"950415"	292.061494	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+HCOOH"	44.998194
"370816"	539.124801	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+HCOOH-H"	44.998201
"355795"	553.140451	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Hac-H"	59.013851
"1507673"	306.077151	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Hac-H"	59.013851
"969988"	314.043451	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+NaCOOH"	66.980151
"122176"	282.032702	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Cl"	69.938804
"558455"	405.564352	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Cl"	69.938804
"1029440"	158.501052	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Cl"	69.938804
"1250111"	325.982185	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Br"	78.918885
"1310373"	328.038172	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+HCOOH"	80.974872
"1330055"	350.020129	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+NaCOOH"	102.956829
"915647"	360.048886	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M-H+CF3COOH"	112.985586
"1289194"	396.025564	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Cl+CF3COOH"	148.962264
"1368086"	212.050624	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H-2H2O"	-35.012676
"1386919"	230.0606	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H-H2O"	-17.0027
"289888"	495.133876	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H"	1.007276
"680485"	742.197176	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H"	1.007276
"1364127"	248.070576	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H"	1.007276
"134827"	248.070576	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2H"	2.014552
"568922"	371.602226	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2H"	2.014552
"1039906"	124.538926	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2H"	2.014552
"206721"	165.716142666667	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+3H"	3.021828
"647741"	248.070576	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+3H"	3.021828
"1167687"	83.3617093333333	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3H"	3.021828
"429869"	512.160423	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+NH4"	18.033823
"793052"	759.223723	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+NH4"	18.033823
"1687195"	265.097123	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4"	18.033823
"337661"	256.5838495	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+NH4"	19.041099
"728988"	380.1154995	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+NH4"	19.041099
"1490469"	133.0521995	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+NH4"	19.041099
"403685"	517.115818	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Na"	22.989218
"758121"	764.179118	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Na"	22.989218
"1604394"	270.052518	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na"	22.989218
"317350"	259.061547	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+Na"	23.996494
"718519"	382.593197	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+Na"	23.996494
"1471976"	135.529897	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+Na"	23.996494
"1065585"	90.6890233333333	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2H+Na"	25.00377
"1268359"	280.096786	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+CH3OH+H"	33.033486
"389122"	533.089758	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+K"	38.963158
"750119"	780.153058	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+K"	38.963158
"1551077"	286.026458	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K"	38.963158
"299504"	267.048517	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+H+K"	39.970434
"700674"	390.580167	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+H+K"	39.970434
"1452308"	143.516867	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+K"	39.970434
"242002"	536.160426	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+ACN+H"	42.033826
"1213618"	289.097126	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+H"	42.033826
"1199688"	145.052201	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+2H"	43.041102
"194746"	539.09776	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Na-H"	44.97116
"633214"	786.16106	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Na-H"	44.97116
"1134532"	292.03446	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Na-H"	44.97116
"174540"	270.052518	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2Na"	45.978436
"615196"	393.584168	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2Na"	45.978436
"1120890"	146.520868	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2Na"	45.978436
"1407332"	98.0163373333333	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+2Na"	46.985712
"1436532"	294.076046	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+HCOOH"	47.012746
"226224"	275.08554	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+3H2O+2H"	56.04448
"1515017"	308.12809	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+IsoProp+H"	61.06479
"416160"	278.039488	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+Na+K"	61.952376
"779341"	401.571138	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+Na+K"	61.952376
"1672393"	154.507838	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+K"	61.952376
"264015"	558.142368	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+ACN+Na"	64.015768
"1236725"	311.079068	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+ACN+Na"	64.015768
"1721599"	311.102593	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4+HCOOH"	64.039293
"1184767"	105.343651333333	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3Na"	68.967654
"1656843"	316.057988	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+HCOOH"	68.994688
"163704"	571.04564	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2K-H"	76.91904
"601080"	818.10894	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2K-H"	76.91904
"1088872"	323.98234	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K-H"	76.91904
"145688"	286.026458	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"2M+2K"	77.926316
"584276"	409.558108	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"3M+2K"	77.926316
"1077424"	162.494808	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K"	77.926316
"1115305"	325.996892	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2K+H"	78.933592
"1348123"	326.084507	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+DMSO+H"	79.021207
"1019692"	330.123676	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2ACN+H"	83.060376
"1535873"	331.117308	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+IsoProp+Na+H"	84.054008
"1003411"	165.565476	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+2ACN+2H"	84.067652
"1601193"	332.031928	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K+HCOOH"	84.968628
"1427948"	362.063438	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+H+CF3COOH"	115.000138
"1162246"	186.078751	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+3ACN+2H"	125.094202
"1708879"	379.089985	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+NH4+CF3COOH"	132.026685
"1637967"	384.04538	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+Na+CF3COOH"	136.98208
"1572526"	400.01932	"C19476"	"2-Nitropyrene"	"C16H9NO2"	"247.0633"	"M+K+CF3COOH"	152.95602
"816630"	191.1059	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M"	0
"988457"	172.08751	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-H2O-H"	-19.01839
"72325"	126.396657333333	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M-3H"	-3.021828
"511885"	190.098624	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M-3H"	-3.021828
"884219"	62.6946906666667	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-3H"	-3.021828
"11550"	190.098624	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M-2H"	-2.014552
"441632"	285.651574	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M-2H"	-2.014552
"822350"	94.545674	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-2H"	-2.014552
"92191"	381.204524	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M-H"	-1.007276
"527374"	572.310424	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M-H"	-1.007276
"899706"	190.098624	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-H"	-1.007276
"51527"	398.231071	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M-2H+NH4"	16.019271
"496929"	589.336971	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M-2H+NH4"	16.019271
"872543"	207.125171	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-2H+NH4"	16.019271
"41538"	403.186466	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M-2H+Na"	20.974666
"482192"	594.292366	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M-2H+Na"	20.974666
"854525"	212.080566	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-2H+Na"	20.974666
"1622963"	212.080566	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Na-2H"	20.974666
"101679"	208.086963	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M-H+Cl"	33.962126
"541238"	303.639913	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M-H+Cl"	33.962126
"933662"	112.534013	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-H+Cl"	33.962126
"269302"	417.181202	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+Cl"	34.969402
"671943"	608.287102	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+Cl"	34.969402
"1284709"	226.075302	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Cl"	34.969402
"27264"	419.160406	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M-2H+K"	36.948606
"467915"	610.266306	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M-2H+K"	36.948606
"842434"	228.054506	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-2H+K"	36.948606
"1557536"	228.054506	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+K-2H"	36.948606
"947607"	236.104094	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-H+HCOOH"	44.998194
"364000"	427.210001	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+HCOOH-H"	44.998201
"354812"	441.225651	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+Hac-H"	59.013851
"1506931"	250.119751	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Hac-H"	59.013851
"971192"	258.086051	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-H+NaCOOH"	66.980151
"123379"	226.075302	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+2Cl"	69.938804
"562939"	321.628252	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+2Cl"	69.938804
"1030645"	130.522352	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2Cl"	69.938804
"1252410"	270.024785	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Br"	78.918885
"1310483"	272.080772	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Cl+HCOOH"	80.974872
"1325792"	294.062729	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Cl+NaCOOH"	102.956829
"911987"	304.091486	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M-H+CF3COOH"	112.985586
"1289179"	340.068164	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Cl+CF3COOH"	148.962264
"1367829"	156.093224	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H-2H2O"	-35.012676
"1384113"	174.1032	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H-H2O"	-17.0027
"283676"	383.219076	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+H"	1.007276
"676703"	574.324976	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+H"	1.007276
"1359863"	192.113176	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H"	1.007276
"128377"	192.113176	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+2H"	2.014552
"569032"	287.666126	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+2H"	2.014552
"1037420"	96.560226	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2H"	2.014552
"206833"	128.411209333333	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+3H"	3.021828
"646758"	192.113176	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+3H"	3.021828
"1166707"	64.7092426666667	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+3H"	3.021828
"429979"	400.245623	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+NH4"	18.033823
"793162"	591.351523	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+NH4"	18.033823
"1687305"	209.139723	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+NH4"	18.033823
"337771"	200.6264495	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+H+NH4"	19.041099
"729098"	296.1793995	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+H+NH4"	19.041099
"1489486"	105.0734995	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H+NH4"	19.041099
"405984"	405.201018	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+Na"	22.989218
"762604"	596.306918	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+Na"	22.989218
"1606694"	214.095118	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Na"	22.989218
"317824"	203.104147	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+H+Na"	23.996494
"719722"	298.657097	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+H+Na"	23.996494
"1473545"	107.551197	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H+Na"	23.996494
"1063508"	72.0365566666667	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2H+Na"	25.00377
"1268470"	224.139386	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+CH3OH+H"	33.033486
"390325"	421.174958	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+K"	38.963158
"749136"	612.280858	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+K"	38.963158
"1551187"	230.069058	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+K"	38.963158
"301803"	211.091117	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+H+K"	39.970434
"699691"	306.644067	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+H+K"	39.970434
"1452417"	115.538167	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H+K"	39.970434
"239195"	424.245626	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+ACN+H"	42.033826
"1213728"	233.139726	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+ACN+H"	42.033826
"1198704"	117.073501	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+ACN+2H"	43.041102
"192669"	427.18296	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+2Na-H"	44.97116
"631865"	618.28886	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+2Na-H"	44.97116
"1133549"	236.07706	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2Na-H"	44.97116
"174656"	214.095118	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+2Na"	45.978436
"618587"	309.648068	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+2Na"	45.978436
"1119907"	118.542168	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2Na"	45.978436
"1406713"	79.3638706666667	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H+2Na"	46.985712
"1436642"	238.118646	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H+HCOOH"	47.012746
"227065"	219.12814	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+3H2O+2H"	56.04448
"1515126"	252.17069	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+IsoProp+H"	61.06479
"418458"	222.082088	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+Na+K"	61.952376
"779818"	317.635038	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+Na+K"	61.952376
"1674329"	126.529138	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Na+K"	61.952376
"263762"	446.227568	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+ACN+Na"	64.015768
"1236109"	255.121668	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+ACN+Na"	64.015768
"1719889"	255.145193	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+NH4+HCOOH"	64.039293
"1183784"	86.6911846666667	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+3Na"	68.967654
"1655862"	260.100588	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Na+HCOOH"	68.994688
"162721"	459.13084	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+2K-H"	76.91904
"601190"	650.23674	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+2K-H"	76.91904
"1086795"	268.02494	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2K-H"	76.91904
"145798"	230.069058	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"2M+2K"	77.926316
"584265"	325.622008	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"3M+2K"	77.926316
"1074253"	134.516108	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2K"	77.926316
"1115373"	270.039492	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2K+H"	78.933592
"1348964"	270.127107	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+DMSO+H"	79.021207
"1019803"	274.166276	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2ACN+H"	83.060376
"1537076"	275.159908	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+IsoProp+Na+H"	84.054008
"1002428"	137.586776	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+2ACN+2H"	84.067652
"1599117"	276.074528	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+K+HCOOH"	84.968628
"1428059"	306.106038	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+H+CF3COOH"	115.000138
"1160533"	158.100051	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+3ACN+2H"	125.094202
"1708989"	323.132585	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+NH4+CF3COOH"	132.026685
"1638079"	328.08798	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+Na+CF3COOH"	136.98208
"1572636"	344.06192	"C19477"	"N-Nitrosoanabasine;3-(1-Nitroso-2-piperidinyl)-pyridine"	"C10H13N3O"	"191.1059"	"M+K+CF3COOH"	152.95602
"816917"	189.0902	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M"	0
"988564"	170.07181	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-H2O-H"	-19.01839
"69154"	125.052857333333	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M-3H"	-3.021828
"511994"	188.082924	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M-3H"	-3.021828
"882141"	62.0227906666667	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-3H"	-3.021828
"6183"	188.082924	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M-2H"	-2.014552
"445742"	282.628024	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M-2H"	-2.014552
"818813"	93.537824	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-2H"	-2.014552
"93029"	377.173124	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M-H"	-1.007276
"530764"	566.263324	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M-H"	-1.007276
"900909"	188.082924	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-H"	-1.007276
"52365"	394.199671	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M-2H+NH4"	16.019271
"495945"	583.289871	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M-2H+NH4"	16.019271
"872653"	205.109471	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-2H+NH4"	16.019271
"41648"	399.155066	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M-2H+Na"	20.974666
"479022"	588.245266	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M-2H+Na"	20.974666
"853541"	210.064866	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-2H+Na"	20.974666
"1624166"	210.064866	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Na-2H"	20.974666
"102882"	206.071263	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M-H+Cl"	33.962126
"539161"	300.616363	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M-H+Cl"	33.962126
"934865"	111.526163	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-H+Cl"	33.962126
"272328"	413.149802	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+Cl"	34.969402
"670959"	602.240002	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+Cl"	34.969402
"1282633"	224.059602	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Cl"	34.969402
"28105"	415.129006	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M-2H+K"	36.948606
"469483"	604.219206	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M-2H+K"	36.948606
"842544"	226.038806	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-2H+K"	36.948606
"1558375"	226.038806	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+K-2H"	36.948606
"948446"	234.088394	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-H+HCOOH"	44.998194
"364475"	423.178601	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+HCOOH-H"	44.998201
"356015"	437.194251	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+Hac-H"	59.013851
"1502668"	248.104051	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Hac-H"	59.013851
"970209"	256.070351	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-H+NaCOOH"	66.980151
"120208"	224.059602	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+2Cl"	69.938804
"559768"	318.604702	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+2Cl"	69.938804
"1030753"	129.514502	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2Cl"	69.938804
"1245957"	268.009085	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Br"	78.918885
"1310593"	270.065072	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Cl+HCOOH"	80.974872
"1325902"	292.047029	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Cl+NaCOOH"	102.956829
"912463"	302.075786	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M-H+CF3COOH"	112.985586
"1289412"	338.052464	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Cl+CF3COOH"	148.962264
"1368427"	154.077524	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H-2H2O"	-35.012676
"1384344"	172.0875	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H-H2O"	-17.0027
"284638"	379.187676	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+H"	1.007276
"677788"	568.277876	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+H"	1.007276
"1359973"	190.097476	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H"	1.007276
"129578"	190.097476	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+2H"	2.014552
"568412"	284.642576	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+2H"	2.014552
"1040123"	95.552376	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2H"	2.014552
"205118"	127.067409333333	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+3H"	3.021828
"646504"	190.097476	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+3H"	3.021828
"1166817"	64.0373426666667	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+3H"	3.021828
"430089"	396.214223	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+NH4"	18.033823
"793272"	585.304423	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+NH4"	18.033823
"1688508"	207.124023	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+NH4"	18.033823
"341160"	198.6107495	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+H+NH4"	19.041099
"730301"	293.1558495	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+H+NH4"	19.041099
"1490325"	104.0656495	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H+NH4"	19.041099
"403906"	401.169618	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+Na"	22.989218
"760528"	590.259818	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+Na"	22.989218
"1611907"	212.079418	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Na"	22.989218
"318298"	201.088447	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+H+Na"	23.996494
"716552"	295.633547	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+H+Na"	23.996494
"1474748"	106.543347	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H+Na"	23.996494
"1061431"	71.3646566666667	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2H+Na"	25.00377
"1268580"	222.123686	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+CH3OH+H"	33.033486
"388249"	417.143558	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+K"	38.963158
"747060"	606.233758	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+K"	38.963158
"1548016"	228.053358	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+K"	38.963158
"301913"	209.075417	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+H+K"	39.970434
"698708"	303.620517	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+H+K"	39.970434
"1450341"	114.530317	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H+K"	39.970434
"238941"	420.214226	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+ACN+H"	42.033826
"1213108"	231.124026	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+ACN+H"	42.033826
"1195168"	116.065651	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+ACN+2H"	43.041102
"192415"	423.15156	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+2Na-H"	44.97116
"631612"	612.24176	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+2Na-H"	44.97116
"1134385"	234.06136	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2Na-H"	44.97116
"174764"	212.079418	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+2Na"	45.978436
"614313"	306.624518	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+2Na"	45.978436
"1116371"	117.534318	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2Na"	45.978436
"1400262"	78.6919706666667	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H+2Na"	46.985712
"1433469"	236.102946	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H+HCOOH"	47.012746
"223164"	217.11244	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+3H2O+2H"	56.04448
"1513413"	250.15499	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+IsoProp+H"	61.06479
"414193"	220.066388	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+Na+K"	61.952376
"775915"	314.611488	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+Na+K"	61.952376
"1674436"	125.521288	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Na+K"	61.952376
"259861"	442.196168	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+ACN+Na"	64.015768
"1231842"	253.105968	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+ACN+Na"	64.015768
"1720362"	253.129493	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+NH4+HCOOH"	64.039293
"1182798"	86.0192846666667	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+3Na"	68.967654
"1654875"	258.084888	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Na+HCOOH"	68.994688
"161006"	455.09944	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+2K-H"	76.91904
"599472"	644.18964	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+2K-H"	76.91904
"1089448"	266.00924	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2K-H"	76.91904
"144807"	228.053358	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"2M+2K"	77.926316
"584375"	322.598458	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"3M+2K"	77.926316
"1069126"	133.508258	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2K"	77.926316
"1113779"	268.023792	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2K+H"	78.933592
"1350288"	268.111407	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+DMSO+H"	79.021207
"1020845"	272.150576	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2ACN+H"	83.060376
"1538888"	273.144208	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+IsoProp+Na+H"	84.054008
"1002537"	136.578926	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+2ACN+2H"	84.067652
"1601293"	274.058828	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+K+HCOOH"	84.968628
"1424889"	304.090338	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+H+CF3COOH"	115.000138
"1158456"	157.092201	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+3ACN+2H"	125.094202
"1712258"	321.116885	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+NH4+CF3COOH"	132.026685
"1640376"	326.07228	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+Na+CF3COOH"	136.98208
"1573839"	342.04622	"C19478"	"N-Nitrosoanatabine;NAT"	"C10H11N3O"	"189.0902"	"M+K+CF3COOH"	152.95602
"816441"	198.0793	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M"	0
"985395"	179.06091	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-H2O-H"	-19.01839
"74733"	131.045590666667	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M-3H"	-3.021828
"512106"	197.072024	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M-3H"	-3.021828
"884439"	65.0191573333333	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-3H"	-3.021828
"5200"	197.072024	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M-2H"	-2.014552
"443666"	296.111674	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M-2H"	-2.014552
"832691"	98.032374	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-2H"	-2.014552
"93868"	395.151324	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M-H"	-1.007276
"532819"	593.230624	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M-H"	-1.007276
"898833"	197.072024	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-H"	-1.007276
"59770"	412.177871	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M-2H+NH4"	16.019271
"501280"	610.257171	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M-2H+NH4"	16.019271
"878229"	214.098571	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-2H+NH4"	16.019271
"43945"	417.133266	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M-2H+Na"	20.974666
"483505"	615.212566	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M-2H+Na"	20.974666
"856931"	219.053966	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-2H+Na"	20.974666
"1624276"	219.053966	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Na-2H"	20.974666
"100805"	215.060363	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M-H+Cl"	33.962126
"539271"	314.100013	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M-H+Cl"	33.962126
"931695"	116.020713	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-H+Cl"	33.962126
"270253"	431.128002	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+Cl"	34.969402
"668519"	629.207302	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+Cl"	34.969402
"1280921"	233.048702	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Cl"	34.969402
"26394"	433.107206	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M-2H+K"	36.948606
"467041"	631.186506	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M-2H+K"	36.948606
"841559"	235.027906	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-2H+K"	36.948606
"1561769"	235.027906	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+K-2H"	36.948606
"951837"	243.077494	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-H+HCOOH"	44.998194
"365678"	441.156801	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+HCOOH-H"	44.998201
"352845"	455.172451	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+Hac-H"	59.013851
"1502779"	257.093151	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Hac-H"	59.013851
"969227"	265.059451	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-H+NaCOOH"	66.980151
"120319"	233.048702	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+2Cl"	69.938804
"559881"	332.088352	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+2Cl"	69.938804
"1033050"	134.009052	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2Cl"	69.938804
"1248254"	276.998185	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Br"	78.918885
"1312891"	279.054172	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Cl+HCOOH"	80.974872
"1324919"	301.036129	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Cl+NaCOOH"	102.956829
"914518"	311.064886	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M-H+CF3COOH"	112.985586
"1291225"	347.041564	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Cl+CF3COOH"	148.962264
"1373034"	163.066624	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H-2H2O"	-35.012676
"1387613"	181.0766	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H-H2O"	-17.0027
"286206"	397.165876	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+H"	1.007276
"677898"	595.245176	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+H"	1.007276
"1357897"	199.086576	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H"	1.007276
"129690"	199.086576	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+2H"	2.014552
"567793"	298.126226	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+2H"	2.014552
"1037681"	100.046926	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2H"	2.014552
"206323"	133.060142666667	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+3H"	3.021828
"649894"	199.086576	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+3H"	3.021828
"1170209"	67.0337093333333	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+3H"	3.021828
"433481"	414.192423	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+NH4"	18.033823
"793385"	612.271723	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+NH4"	18.033823
"1689714"	216.113123	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+NH4"	18.033823
"334709"	207.5998495	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+H+NH4"	19.041099
"730411"	306.6394995	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+H+NH4"	19.041099
"1490799"	108.5601995	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H+NH4"	19.041099
"407539"	419.147818	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+Na"	22.989218
"763919"	617.227118	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+Na"	22.989218
"1614205"	221.068518	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Na"	22.989218
"323148"	210.077547	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+H+Na"	23.996494
"722382"	309.117197	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+H+Na"	23.996494
"1476921"	111.037897	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H+Na"	23.996494
"1067009"	74.3610233333333	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2H+Na"	25.00377
"1271851"	231.112786	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+CH3OH+H"	33.033486
"391641"	435.121758	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+K"	38.963158
"753896"	633.201058	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+K"	38.963158
"1553594"	237.042458	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+K"	38.963158
"305305"	218.064517	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+H+K"	39.970434
"704287"	317.104167	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+H+K"	39.970434
"1459931"	119.024867	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H+K"	39.970434
"242334"	438.192426	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+ACN+H"	42.033826
"1216135"	240.113126	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+ACN+H"	42.033826
"1197833"	120.560201	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+ACN+2H"	43.041102
"192891"	441.12976	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+2Na-H"	44.97116
"636824"	639.20906	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+2Na-H"	44.97116
"1137050"	243.05046	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2Na-H"	44.97116
"175969"	221.068518	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+2Na"	45.978436
"615157"	320.108168	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+2Na"	45.978436
"1116723"	122.028868	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2Na"	45.978436
"1402559"	81.6883373333333	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H+2Na"	46.985712
"1430786"	245.092046	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H+HCOOH"	47.012746
"223275"	226.10154	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+3H2O+2H"	56.04448
"1512429"	259.14409	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+IsoProp+H"	61.06479
"414303"	229.055488	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+Na+K"	61.952376
"776391"	328.095138	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+Na+K"	61.952376
"1674910"	130.015838	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Na+K"	61.952376
"257054"	460.174368	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+ACN+Na"	64.015768
"1234139"	262.095068	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+ACN+Na"	64.015768
"1721929"	262.118593	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+NH4+HCOOH"	64.039293
"1182907"	89.0156513333333	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+3Na"	68.967654
"1652795"	267.073988	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Na+HCOOH"	68.994688
"159657"	473.07764	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+2K-H"	76.91904
"598489"	671.15694	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+2K-H"	76.91904
"1087008"	274.99834	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2K-H"	76.91904
"143822"	237.042458	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"2M+2K"	77.926316
"583392"	336.082108	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"3M+2K"	77.926316
"1068750"	138.002808	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2K"	77.926316
"1114499"	277.012892	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2K+H"	78.933592
"1350277"	277.100507	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+DMSO+H"	79.021207
"1020022"	281.139676	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2ACN+H"	83.060376
"1538388"	282.133308	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+IsoProp+Na+H"	84.054008
"1003741"	141.073476	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+2ACN+2H"	84.067652
"1600430"	283.047928	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+K+HCOOH"	84.968628
"1424999"	313.079438	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+H+CF3COOH"	115.000138
"1159660"	161.586751	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+3ACN+2H"	125.094202
"1709209"	330.105985	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+NH4+CF3COOH"	132.026685
"1640486"	335.06138	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+Na+CF3COOH"	136.98208
"1573220"	351.03532	"C19479"	"para-Nitrosodiphenylamine;4-Nitroso-N-phenyl-benzenamine"	"C12H10N2O"	"198.0793"	"M+K+CF3COOH"	152.95602
"816227"	470.1298	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M"	0
"986598"	451.11141	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-H2O-H"	-19.01839
"77881"	312.412590666667	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M-3H"	-3.021828
"516590"	469.122524	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M-3H"	-3.021828
"886736"	155.702657333333	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-3H"	-3.021828
"6404"	469.122524	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M-2H"	-2.014552
"442682"	704.187424	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M-2H"	-2.014552
"832160"	234.057624	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-2H"	-2.014552
"93495"	939.252324	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M-H"	-1.007276
"532079"	1409.382124	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M-H"	-1.007276
"904412"	469.122524	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-H"	-1.007276
"56600"	956.278871	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M-2H+NH4"	16.019271
"499447"	1426.408671	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M-2H+NH4"	16.019271
"877249"	486.149071	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-2H+NH4"	16.019271
"45516"	961.234266	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M-2H+Na"	20.974666
"482521"	1431.364066	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M-2H+Na"	20.974666
"853761"	491.104466	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-2H+Na"	20.974666
"1624388"	491.104466	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Na-2H"	20.974666
"95813"	487.110863	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M-H+Cl"	33.962126
"538290"	722.175763	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M-H+Cl"	33.962126
"929618"	252.045963	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-H+Cl"	33.962126
"269270"	975.229002	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+Cl"	34.969402
"671180"	1445.358802	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+Cl"	34.969402
"1284676"	505.099202	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Cl"	34.969402
"28325"	977.208206	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M-2H+K"	36.948606
"467151"	1447.338006	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M-2H+K"	36.948606
"840578"	507.078406	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-2H+K"	36.948606
"1564064"	507.078406	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+K-2H"	36.948606
"949760"	515.127994	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-H+HCOOH"	44.998194
"362508"	985.257801	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+HCOOH-H"	44.998201
"352955"	999.273451	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+Hac-H"	59.013851
"1504712"	529.143651	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Hac-H"	59.013851
"970796"	537.109951	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-H+NaCOOH"	66.980151
"121160"	505.099202	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+2Cl"	69.938804
"561450"	740.164102	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+2Cl"	69.938804
"1033161"	270.034302	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2Cl"	69.938804
"1251644"	549.048685	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Br"	78.918885
"1313001"	551.104672	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Cl+HCOOH"	80.974872
"1326121"	573.086629	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Cl+NaCOOH"	102.956829
"913169"	583.115386	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M-H+CF3COOH"	112.985586
"1289511"	619.092064	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Cl+CF3COOH"	148.962264
"1373144"	435.117124	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H-2H2O"	-35.012676
"1388087"	453.1271	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H-H2O"	-17.0027
"285951"	941.266876	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+H"	1.007276
"678008"	1411.396676	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+H"	1.007276
"1354725"	471.137076	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H"	1.007276
"129800"	471.137076	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+2H"	2.014552
"567539"	706.201976	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+2H"	2.014552
"1038155"	236.072176	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2H"	2.014552
"206434"	314.427142666667	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+3H"	3.021828
"645265"	471.137076	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+3H"	3.021828
"1171412"	157.717209333333	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+3H"	3.021828
"433591"	958.293423	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+NH4"	18.033823
"792397"	1428.423223	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+NH4"	18.033823
"1689824"	488.163623	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+NH4"	18.033823
"333726"	479.6503495	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+H+NH4"	19.041099
"729428"	714.7152495	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+H+NH4"	19.041099
"1488720"	244.5854495	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H+NH4"	19.041099
"408520"	963.248818	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+Na"	22.989218
"769132"	1433.378618	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+Na"	22.989218
"1615044"	493.119018	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Na"	22.989218
"325445"	482.128047	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+H+Na"	23.996494
"722695"	717.192947	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+H+Na"	23.996494
"1476555"	247.063147	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H+Na"	23.996494
"1066755"	165.044523333333	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2H+Na"	25.00377
"1272448"	503.163286	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+CH3OH+H"	33.033486
"392405"	979.222758	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+K"	38.963158
"753116"	1449.352558	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+K"	38.963158
"1553706"	509.092958	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+K"	38.963158
"306509"	490.115017	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+H+K"	39.970434
"704397"	725.179917	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+H+K"	39.970434
"1458219"	255.050117	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H+K"	39.970434
"245725"	982.293426	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+ACN+H"	42.033826
"1218433"	512.163626	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+ACN+H"	42.033826
"1200130"	256.585451	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+ACN+2H"	43.041102
"193001"	985.23076	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+2Na-H"	44.97116
"637663"	1455.36056	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+2Na-H"	44.97116
"1138254"	515.10096	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2Na-H"	44.97116
"178266"	493.119018	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+2Na"	45.978436
"613933"	728.183918	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+2Na"	45.978436
"1122426"	258.054118	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2Na"	45.978436
"1402669"	172.371837333333	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H+2Na"	46.985712
"1432597"	517.142546	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H+HCOOH"	47.012746
"223386"	498.15204	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+3H2O+2H"	56.04448
"1511810"	531.19459	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+IsoProp+H"	61.06479
"414413"	501.105988	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+Na+K"	61.952376
"776501"	736.170888	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+Na+K"	61.952376
"1671740"	266.041088	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Na+K"	61.952376
"256435"	1004.275368	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+ACN+Na"	64.015768
"1230969"	534.145568	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+ACN+Na"	64.015768
"1719853"	534.169093	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+NH4+HCOOH"	64.039293
"1183017"	179.699151333333	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+3Na"	68.967654
"1652542"	539.124488	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Na+HCOOH"	68.994688
"159770"	1017.17864	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+2K-H"	76.91904
"598600"	1487.30844	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+2K-H"	76.91904
"1087483"	547.04884	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2K-H"	76.91904
"146119"	509.092958	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"2M+2K"	77.926316
"582409"	744.157858	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"3M+2K"	77.926316
"1068612"	274.028058	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2K"	77.926316
"1111081"	549.063392	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2K+H"	78.933592
"1347466"	549.151007	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+DMSO+H"	79.021207
"1021298"	553.190176	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2ACN+H"	83.060376
"1538498"	554.183808	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+IsoProp+Na+H"	84.054008
"1005311"	277.098726	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+2ACN+2H"	84.067652
"1600540"	555.098428	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+K+HCOOH"	84.968628
"1426202"	585.129938	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+H+CF3COOH"	115.000138
"1159771"	297.612001	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+3ACN+2H"	125.094202
"1708226"	602.156485	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+NH4+CF3COOH"	132.026685
"1638409"	607.11188	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+Na+CF3COOH"	136.98208
"1574059"	623.08582	"C19480"	"N-Nitrosofolic acid"	"C19H18N8O7"	"470.1298"	"M+K+CF3COOH"	152.95602
"816797"	156.0535	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M"	0
"987437"	137.03511	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-H2O-H"	-19.01839
"77139"	103.028390666667	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M-3H"	-3.021828
"514513"	155.046224	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M-3H"	-3.021828
"886846"	51.0105573333333	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-3H"	-3.021828
"4327"	155.046224	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M-2H"	-2.014552
"442793"	233.072974	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M-2H"	-2.014552
"822788"	77.019474	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-2H"	-2.014552
"92266"	311.099724	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M-H"	-1.007276
"532919"	467.153224	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M-H"	-1.007276
"903429"	155.046224	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-H"	-1.007276
"50877"	328.126271	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M-2H+NH4"	16.019271
"499560"	484.179771	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M-2H+NH4"	16.019271
"875901"	172.072771	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-2H+NH4"	16.019271
"41977"	333.081666	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M-2H+Na"	20.974666
"485064"	489.135166	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M-2H+Na"	20.974666
"861527"	177.028166	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-2H+Na"	20.974666
"1627780"	177.028166	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Na-2H"	20.974666
"101027"	173.034563	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M-H+Cl"	33.962126
"544960"	251.061313	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M-H+Cl"	33.962126
"929728"	95.007813	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-H+Cl"	33.962126
"269380"	347.076402	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+Cl"	34.969402
"671654"	503.129902	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+Cl"	34.969402
"1286244"	191.022902	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Cl"	34.969402
"28435"	349.055606	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M-2H+K"	36.948606
"469448"	505.109106	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M-2H+K"	36.948606
"841782"	193.002106	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-2H+K"	36.948606
"1561987"	193.002106	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+K-2H"	36.948606
"948777"	201.051694	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-H+HCOOH"	44.998194
"363711"	357.105201	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+HCOOH-H"	44.998201
"351970"	371.120851	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+Hac-H"	59.013851
"1506282"	215.067351	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Hac-H"	59.013851
"971638"	223.033651	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-H+NaCOOH"	66.980151
"120541"	191.022902	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+2Cl"	69.938804
"562288"	269.049652	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+2Cl"	69.938804
"1033271"	112.996152	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2Cl"	69.938804
"1251754"	234.972385	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Br"	78.918885
"1313111"	237.028372	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Cl+HCOOH"	80.974872
"1324409"	259.010329	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Cl+NaCOOH"	102.956829
"914738"	269.039086	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M-H+CF3COOH"	112.985586
"1291081"	305.015764	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Cl+CF3COOH"	148.962264
"1373254"	121.040824	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H-2H2O"	-35.012676
"1388197"	139.0508	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H-H2O"	-17.0027
"285332"	313.114276	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+H"	1.007276
"678848"	469.167776	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+H"	1.007276
"1354835"	157.060776	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H"	1.007276
"129910"	157.060776	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+2H"	2.014552
"567649"	235.087526	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+2H"	2.014552
"1038992"	79.034026	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2H"	2.014552
"206422"	105.042942666667	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+3H"	3.021828
"645862"	157.060776	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+3H"	3.021828
"1169336"	53.0251093333333	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+3H"	3.021828
"429329"	330.140823	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+NH4"	18.033823
"789227"	486.194323	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+NH4"	18.033823
"1686655"	174.087323	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+NH4"	18.033823
"333106"	165.5740495	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+H+NH4"	19.041099
"727351"	243.6007995	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+H+NH4"	19.041099
"1486643"	87.5472995	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H+NH4"	19.041099
"407517"	335.096218	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+Na"	22.989218
"768877"	491.149718	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+Na"	22.989218
"1615518"	179.042718	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Na"	22.989218
"326648"	168.051747	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+H+Na"	23.996494
"721745"	246.078497	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+H+Na"	23.996494
"1476938"	90.024997	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H+Na"	23.996494
"1066865"	60.3524233333333	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2H+Na"	25.00377
"1272193"	189.086986	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+CH3OH+H"	33.033486
"392228"	351.070158	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+K"	38.963158
"753953"	507.123658	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+K"	38.963158
"1555556"	195.016658	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+K"	38.963158
"309899"	176.038717	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+H+K"	39.970434
"703413"	254.065467	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+H+K"	39.970434
"1460515"	98.011967	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H+K"	39.970434
"248021"	354.140826	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+ACN+H"	42.033826
"1222553"	198.087326	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+ACN+H"	42.033826
"1202426"	99.547301	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+ACN+2H"	43.041102
"198577"	357.07816	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+2Na-H"	44.97116
"638137"	513.13166	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+2Na-H"	44.97116
"1139456"	201.02466	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2Na-H"	44.97116
"180562"	179.042718	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+2Na"	45.978436
"615871"	257.069468	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+2Na"	45.978436
"1122536"	101.015968	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2Na"	45.978436
"1403872"	67.6797373333333	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H+2Na"	46.985712
"1434894"	203.066246	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H+HCOOH"	47.012746
"223496"	184.07574	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+3H2O+2H"	56.04448
"1511920"	217.11829	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+IsoProp+H"	61.06479
"413431"	187.029688	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+Na+K"	61.952376
"776612"	265.056438	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+Na+K"	61.952376
"1674037"	109.002938	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Na+K"	61.952376
"255452"	376.122768	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+ACN+Na"	64.015768
"1231080"	220.069268	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+ACN+Na"	64.015768
"1717047"	220.092793	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+NH4+HCOOH"	64.039293
"1181668"	75.0070513333333	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+3Na"	68.967654
"1652654"	225.048188	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Na+HCOOH"	68.994688
"160242"	389.02604	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+2K-H"	76.91904
"598100"	545.07954	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+2K-H"	76.91904
"1086499"	232.97254	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2K-H"	76.91904
"144408"	195.016658	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"2M+2K"	77.926316
"585800"	273.043408	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"3M+2K"	77.926316
"1069090"	116.989908	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2K"	77.926316
"1109004"	234.987092	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2K+H"	78.933592
"1346483"	235.074707	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+DMSO+H"	79.021207
"1020487"	239.113876	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2ACN+H"	83.060376
"1538611"	240.107508	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+IsoProp+Na+H"	84.054008
"1005466"	120.060576	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+2ACN+2H"	84.067652
"1602677"	241.022128	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+K+HCOOH"	84.968628
"1428498"	271.053638	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+H+CF3COOH"	115.000138
"1160975"	140.573851	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+3ACN+2H"	125.094202
"1711617"	288.080185	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+NH4+CF3COOH"	132.026685
"1647265"	293.03558	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+Na+CF3COOH"	136.98208
"1572710"	309.00952	"C19481"	"N-Nitrosoguvacine"	"C6H8N2O3"	"156.0535"	"M+K+CF3COOH"	152.95602
"816772"	170.0691	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M"	0
"985724"	151.05071	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-H2O-H"	-19.01839
"75062"	112.372124	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M-3H"	-3.021828
"514621"	169.061824	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M-3H"	-3.021828
"886956"	55.682424	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-3H"	-3.021828
"2250"	169.061824	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M-2H"	-2.014552
"440710"	254.096374	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M-2H"	-2.014552
"823991"	84.027274	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-2H"	-2.014552
"91888"	339.130924	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M-H"	-1.007276
"531211"	509.200024	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M-H"	-1.007276
"903539"	169.061824	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-H"	-1.007276
"53539"	356.157471	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M-2H+NH4"	16.019271
"497846"	526.226571	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M-2H+NH4"	16.019271
"873095"	186.088371	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-2H+NH4"	16.019271
"42454"	361.112866	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M-2H+Na"	20.974666
"483839"	531.181966	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M-2H+Na"	20.974666
"862002"	191.043766	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-2H+Na"	20.974666
"1627890"	191.043766	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Na-2H"	20.974666
"107697"	187.050163	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M-H+Cl"	33.962126
"547865"	272.084713	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M-H+Cl"	33.962126
"935305"	102.015613	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-H+Cl"	33.962126
"272770"	375.107602	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+Cl"	34.969402
"670306"	545.176702	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+Cl"	34.969402
"1282708"	205.038502	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Cl"	34.969402
"27450"	377.086806	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M-2H+K"	36.948606
"466277"	547.155906	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M-2H+K"	36.948606
"839703"	207.017706	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-2H+K"	36.948606
"1561004"	207.017706	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+K-2H"	36.948606
"945605"	215.067294	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-H+HCOOH"	44.998194
"364914"	385.136401	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+HCOOH-H"	44.998201
"350987"	399.152051	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+Hac-H"	59.013851
"1502744"	229.082951	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Hac-H"	59.013851
"971745"	237.049251	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-H+NaCOOH"	66.980151
"120651"	205.038502	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+2Cl"	69.938804
"560941"	290.073052	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+2Cl"	69.938804
"1034110"	120.003952	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2Cl"	69.938804
"1251864"	248.987985	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Br"	78.918885
"1309941"	251.043972	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Cl+HCOOH"	80.974872
"1323061"	273.025929	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Cl+NaCOOH"	102.956829
"912661"	283.054686	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M-H+CF3COOH"	112.985586
"1289004"	319.031364	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Cl+CF3COOH"	148.962264
"1368130"	135.056424	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H-2H2O"	-35.012676
"1390859"	153.0664	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H-H2O"	-17.0027
"287265"	341.145476	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+H"	1.007276
"676762"	511.214576	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+H"	1.007276
"1352512"	171.076376	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H"	1.007276
"128927"	171.076376	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+2H"	2.014552
"567759"	256.110926	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+2H"	2.014552
"1038008"	86.041826	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2H"	2.014552
"207383"	114.386676	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+3H"	3.021828
"645972"	171.076376	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+3H"	3.021828
"1169446"	57.696976	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+3H"	3.021828
"429439"	358.172023	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+NH4"	18.033823
"791523"	528.241123	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+NH4"	18.033823
"1688950"	188.102923	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+NH4"	18.033823
"334309"	179.5896495	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+H+NH4"	19.041099
"730741"	264.6241995	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+H+NH4"	19.041099
"1481286"	94.5550995	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H+NH4"	19.041099
"406896"	363.127418	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+Na"	22.989218
"766430"	533.196518	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+Na"	22.989218
"1617211"	193.058318	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Na"	22.989218
"326395"	182.067347	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+H+Na"	23.996494
"722223"	267.101897	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+H+Na"	23.996494
"1476980"	97.032797	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H+Na"	23.996494
"1066977"	65.02429	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2H+Na"	25.00377
"1272427"	203.102586	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+CH3OH+H"	33.033486
"392339"	379.101358	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+K"	38.963158
"752969"	549.170458	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+K"	38.963158
"1554781"	209.032258	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+K"	38.963158
"311833"	190.054317	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+H+K"	39.970434
"702795"	275.088867	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+H+K"	39.970434
"1458074"	105.019767	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H+K"	39.970434
"249227"	382.172026	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+ACN+H"	42.033826
"1222663"	212.102926	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+ACN+H"	42.033826
"1206912"	106.555101	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+ACN+2H"	43.041102
"199418"	385.10936	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+2Na-H"	44.97116
"640435"	555.17846	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+2Na-H"	44.97116
"1143577"	215.04026	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2Na-H"	44.97116
"177392"	193.058318	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+2Na"	45.978436
"618046"	278.092868	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+2Na"	45.978436
"1122646"	108.023768	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2Na"	45.978436
"1401916"	72.351604	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H+2Na"	46.985712
"1430872"	217.081846	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H+HCOOH"	47.012746
"227979"	198.09134	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+3H2O+2H"	56.04448
"1512760"	231.13389	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+IsoProp+H"	61.06479
"415727"	201.045288	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+Na+K"	61.952376
"771253"	286.079838	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+Na+K"	61.952376
"1673053"	116.010738	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Na+K"	61.952376
"254104"	404.153968	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+ACN+Na"	64.015768
"1231182"	234.084868	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+ACN+Na"	64.015768
"1716791"	234.108393	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+NH4+HCOOH"	64.039293
"1181414"	79.678918	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+3Na"	68.967654
"1653128"	239.063788	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Na+HCOOH"	68.994688
"162173"	417.05724	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+2K-H"	76.91904
"597481"	587.12634	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+2K-H"	76.91904
"1087338"	246.98814	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2K-H"	76.91904
"144517"	209.032258	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"2M+2K"	77.926316
"584817"	294.066808	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"3M+2K"	77.926316
"1068755"	123.997708	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2K"	77.926316
"1110207"	249.002692	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2K+H"	78.933592
"1345499"	249.090307	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+DMSO+H"	79.021207
"1019502"	253.129476	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2ACN+H"	83.060376
"1539084"	254.123108	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+IsoProp+Na+H"	84.054008
"1005291"	127.068376	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+2ACN+2H"	84.067652
"1602462"	255.037728	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+K+HCOOH"	84.968628
"1428249"	285.069238	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+H+CF3COOH"	115.000138
"1161085"	147.581651	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+3ACN+2H"	125.094202
"1711727"	302.095785	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+NH4+CF3COOH"	132.026685
"1647011"	307.05118	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+Na+CF3COOH"	136.98208
"1572820"	323.02512	"C19482"	"N-Nitrosoguvacoline"	"C7H10N2O3"	"170.0691"	"M+K+CF3COOH"	152.95602
"816683"	160.0484	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M"	0
"984741"	141.03001	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-H2O-H"	-19.01839
"72985"	105.691657333333	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M-3H"	-3.021828
"514731"	159.041124	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M-3H"	-3.021828
"885973"	52.3421906666667	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-3H"	-3.021828
"2360"	159.041124	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M-2H"	-2.014552
"440702"	239.065324	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M-2H"	-2.014552
"825194"	79.016924	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-2H"	-2.014552
"92727"	319.089524	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M-H"	-1.007276
"531684"	479.137924	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M-H"	-1.007276
"903649"	159.041124	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-H"	-1.007276
"52556"	336.116071	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M-2H+NH4"	16.019271
"495405"	496.164471	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M-2H+NH4"	16.019271
"872112"	176.067671	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-2H+NH4"	16.019271
"44752"	341.071466	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M-2H+Na"	20.974666
"483220"	501.119866	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M-2H+Na"	20.974666
"862476"	181.023066	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-2H+Na"	20.974666
"1631280"	181.023066	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Na-2H"	20.974666
"104527"	177.029463	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M-H+Cl"	33.962126
"545180"	257.053663	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M-H+Cl"	33.962126
"935415"	97.005263	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-H+Cl"	33.962126
"269600"	355.066202	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+Cl"	34.969402
"669322"	515.114602	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+Cl"	34.969402
"1281725"	195.017802	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Cl"	34.969402
"26465"	357.045406	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M-2H+K"	36.948606
"463105"	517.093806	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M-2H+K"	36.948606
"838718"	196.997006	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-2H+K"	36.948606
"1558925"	196.997006	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+K-2H"	36.948606
"944985"	205.046594	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-H+HCOOH"	44.998194
"361863"	365.095001	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+HCOOH-H"	44.998201
"349637"	379.110651	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+Hac-H"	59.013851
"1505405"	219.062251	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Hac-H"	59.013851
"972581"	227.028551	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-H+NaCOOH"	66.980151
"123311"	195.017802	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+2Cl"	69.938804
"560321"	275.042002	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+2Cl"	69.938804
"1031304"	114.993602	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2Cl"	69.938804
"1251974"	238.967285	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Br"	78.918885
"1308228"	241.023272	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Cl+HCOOH"	80.974872
"1323900"	263.005229	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Cl+NaCOOH"	102.956829
"911676"	273.033986	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M-H+CF3COOH"	112.985586
"1288747"	309.010664	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Cl+CF3COOH"	148.962264
"1367996"	125.035724	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H-2H2O"	-35.012676
"1390969"	143.0457	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H-H2O"	-17.0027
"287738"	321.104076	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+H"	1.007276
"676018"	481.152476	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+H"	1.007276
"1352501"	161.055676	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H"	1.007276
"127938"	161.055676	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+2H"	2.014552
"569692"	241.079876	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+2H"	2.014552
"1037269"	81.031476	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2H"	2.014552
"207856"	107.706209333333	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+3H"	3.021828
"645959"	161.055676	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+3H"	3.021828
"1168458"	54.3567426666667	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+3H"	3.021828
"429546"	338.130623	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+NH4"	18.033823
"792726"	498.179023	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+NH4"	18.033823
"1689060"	178.082223	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+NH4"	18.033823
"336241"	169.5689495	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+H+NH4"	19.041099
"729758"	249.5931495	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+H+NH4"	19.041099
"1483582"	89.5447495	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H+NH4"	19.041099
"405546"	343.086018	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+Na"	22.989218
"765447"	503.134418	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+Na"	22.989218
"1617323"	183.037618	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Na"	22.989218
"329591"	172.046647	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+H+Na"	23.996494
"721974"	252.070847	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+H+Na"	23.996494
"1476033"	92.022447	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H+Na"	23.996494
"1065992"	61.6840566666667	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2H+Na"	25.00377
"1271807"	193.081886	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+CH3OH+H"	33.033486
"392208"	359.059958	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+K"	38.963158
"753080"	519.108358	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+K"	38.963158
"1554893"	199.011558	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+K"	38.963158
"311578"	180.033617	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+H+K"	39.970434
"703999"	260.057817	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+H+K"	39.970434
"1459642"	100.009417	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H+K"	39.970434
"250675"	362.130626	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+ACN+H"	42.033826
"1223140"	202.082226	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+ACN+H"	42.033826
"1207387"	101.544751	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+ACN+2H"	43.041102
"199891"	365.06796	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+2Na-H"	44.97116
"639087"	525.11636	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+2Na-H"	44.97116
"1143687"	205.01956	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2Na-H"	44.97116
"178595"	183.037618	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+2Na"	45.978436
"618156"	263.061818	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+2Na"	45.978436
"1123849"	103.013418	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2Na"	45.978436
"1401905"	69.0113706666667	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H+2Na"	46.985712
"1430292"	207.061146	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H+HCOOH"	47.012746
"228090"	188.07064	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+3H2O+2H"	56.04448
"1517244"	221.11319	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+IsoProp+H"	61.06479
"418025"	191.024588	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+Na+K"	61.952376
"772821"	271.048788	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+Na+K"	61.952376
"1672070"	111.000388	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Na+K"	61.952376
"255307"	384.112568	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+ACN+Na"	64.015768
"1231292"	224.064168	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+ACN+Na"	64.015768
"1716901"	224.087693	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+NH4+HCOOH"	64.039293
"1181524"	76.3386846666667	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+3Na"	68.967654
"1651780"	229.043088	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Na+HCOOH"	68.994688
"160098"	397.01584	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+2K-H"	76.91904
"600755"	557.06424	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+2K-H"	76.91904
"1084775"	236.96744	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2K-H"	76.91904
"142441"	199.011558	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"2M+2K"	77.926316
"582740"	279.035758	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"3M+2K"	77.926316
"1068828"	118.987358	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2K"	77.926316
"1114326"	238.981992	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2K+H"	78.933592
"1346702"	239.069607	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+DMSO+H"	79.021207
"1020705"	243.108776	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2ACN+H"	83.060376
"1538227"	244.102408	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+IsoProp+Na+H"	84.054008
"1004058"	122.058026	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+2ACN+2H"	84.067652
"1600869"	245.017028	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+K+HCOOH"	84.968628
"1428601"	275.048538	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+H+CF3COOH"	115.000138
"1161563"	142.571301	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+3ACN+2H"	125.094202
"1710743"	292.075085	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+NH4+CF3COOH"	132.026685
"1640925"	297.03048	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+Na+CF3COOH"	136.98208
"1573296"	313.00442	"C19483"	"N-Nitrosohydroxyproline;4-Hydroxy-1-nitroso-L-proline"	"C5H8N2O4"	"160.0484"	"M+K+CF3COOH"	152.95602
"812413"	116.0586	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M"	0
"982664"	97.04021	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-H2O-H"	-19.01839
"72002"	76.365124	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M-3H"	-3.021828
"512654"	115.051324	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M-3H"	-3.021828
"887176"	37.678924	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-3H"	-3.021828
"5750"	115.051324	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M-2H"	-2.014552
"442031"	173.080624	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M-2H"	-2.014552
"824211"	57.022024	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-2H"	-2.014552
"93203"	231.109924	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M-H"	-1.007276
"529237"	347.168524	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M-H"	-1.007276
"901571"	115.051324	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-H"	-1.007276
"55946"	248.136471	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M-2H+NH4"	16.019271
"496608"	364.195071	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M-2H+NH4"	16.019271
"872223"	132.077871	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-2H+NH4"	16.019271
"45227"	253.091866	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M-2H+Na"	20.974666
"484060"	369.150466	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M-2H+Na"	20.974666
"862950"	137.033266	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-2H+Na"	20.974666
"1633701"	137.033266	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Na-2H"	20.974666
"106824"	133.039663	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M-H+Cl"	33.962126
"545290"	191.068963	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M-H+Cl"	33.962126
"935525"	75.010363	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-H+Cl"	33.962126
"271167"	267.086602	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+Cl"	34.969402
"665416"	383.145202	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+Cl"	34.969402
"1275633"	151.028002	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Cl"	34.969402
"22563"	269.065806	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M-2H+K"	36.948606
"463215"	385.124406	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M-2H+K"	36.948606
"837735"	153.007206	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-2H+K"	36.948606
"1558670"	153.007206	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+K-2H"	36.948606
"946552"	161.056794	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-H+HCOOH"	44.998194
"363673"	277.115401	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+HCOOH-H"	44.998201
"347920"	291.131051	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+Hac-H"	59.013851
"1498949"	175.072451	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Hac-H"	59.013851
"971231"	183.038751	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-H+NaCOOH"	66.980151
"116493"	151.028002	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+2Cl"	69.938804
"556053"	209.057302	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+2Cl"	69.938804
"1026308"	92.998702	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2Cl"	69.938804
"1248436"	194.977485	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Br"	78.918885
"1307971"	197.033472	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Cl+HCOOH"	80.974872
"1325466"	219.015429	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Cl+NaCOOH"	102.956829
"912880"	229.044186	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M-H+CF3COOH"	112.985586
"1289221"	265.020864	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Cl+CF3COOH"	148.962264
"1370296"	81.045924	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H-2H2O"	-35.012676
"1391079"	99.0559	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H-H2O"	-17.0027
"286391"	233.124476	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+H"	1.007276
"679533"	349.183076	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+H"	1.007276
"1353340"	117.065876	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H"	1.007276
"128048"	117.065876	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+2H"	2.014552
"566520"	175.095176	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+2H"	2.014552
"1038592"	59.036576	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2H"	2.014552
"204799"	78.379676	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+3H"	3.021828
"646425"	117.065876	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+3H"	3.021828
"1164552"	39.693476	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+3H"	3.021828
"426736"	250.151023	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+NH4"	18.033823
"787002"	366.209623	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+NH4"	18.033823
"1688074"	134.092423	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+NH4"	18.033823
"334163"	125.5791495	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+H+NH4"	19.041099
"725851"	183.6084495	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+H+NH4"	19.041099
"1483685"	67.5498495	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H+NH4"	19.041099
"396897"	255.106418	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+Na"	22.989218
"760079"	371.165018	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+Na"	22.989218
"1610368"	139.047818	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Na"	22.989218
"324784"	128.056847	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+H+Na"	23.996494
"721094"	186.086147	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+H+Na"	23.996494
"1472120"	70.027547	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H+Na"	23.996494
"1067070"	47.02079	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2H+Na"	25.00377
"1271425"	149.092086	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+CH3OH+H"	33.033486
"391097"	271.080358	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+K"	38.963158
"752091"	387.138958	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+K"	38.963158
"1555520"	155.021758	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+K"	38.963158
"312051"	136.043817	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+H+K"	39.970434
"707075"	194.073117	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+H+K"	39.970434
"1460477"	78.014517	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H+K"	39.970434
"248351"	274.151026	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+ACN+H"	42.033826
"1217779"	158.092426	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+ACN+H"	42.033826
"1207129"	79.549851	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+ACN+2H"	43.041102
"197811"	277.08836	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+2Na-H"	44.97116
"637374"	393.14696	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+2Na-H"	44.97116
"1139786"	161.02976	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2Na-H"	44.97116
"181986"	139.047818	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+2Na"	45.978436
"614131"	197.077118	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+2Na"	45.978436
"1120675"	81.018518	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2Na"	45.978436
"1399337"	54.348104	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H+2Na"	46.985712
"1436315"	163.071346	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H+HCOOH"	47.012746
"220540"	144.08084	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+3H2O+2H"	56.04448
"1510794"	177.12339	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+IsoProp+H"	61.06479
"410843"	147.034788	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+Na+K"	61.952376
"770985"	205.064088	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+Na+K"	61.952376
"1672176"	89.005488	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Na+K"	61.952376
"258693"	296.132968	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+ACN+Na"	64.015768
"1233590"	180.074368	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+ACN+Na"	64.015768
"1718102"	180.097893	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+NH4+HCOOH"	64.039293
"1184550"	61.675418	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+3Na"	68.967654
"1653350"	185.053288	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Na+HCOOH"	68.994688
"161298"	309.03624	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+2K-H"	76.91904
"600865"	425.09484	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+2K-H"	76.91904
"1085252"	192.97764	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2K-H"	76.91904
"142795"	155.021758	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"2M+2K"	77.926316
"586130"	213.051058	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"3M+2K"	77.926316
"1069668"	96.992458	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2K"	77.926316
"1109333"	194.992192	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2K+H"	78.933592
"1342438"	195.079807	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+DMSO+H"	79.021207
"1019962"	199.118976	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2ACN+H"	83.060376
"1538330"	200.112608	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+IsoProp+Na+H"	84.054008
"1003804"	100.063126	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+2ACN+2H"	84.067652
"1598792"	201.027228	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+K+HCOOH"	84.968628
"1428827"	231.058738	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+H+CF3COOH"	115.000138
"1161303"	120.576401	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+3ACN+2H"	125.094202
"1712312"	248.085285	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+NH4+CF3COOH"	132.026685
"1644316"	253.04068	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+Na+CF3COOH"	136.98208
"1575593"	269.01462	"C19484"	"3-(N-Nitrosomethylamino)propionaldehyde;3-(Methylnitrosoamino)-propanal"	"C4H8N2O2"	"116.0586"	"M+K+CF3COOH"	152.95602
"801605"	144.0535	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M"	0
"979493"	125.03511	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-H2O-H"	-19.01839
"68830"	95.0283906666667	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M-3H"	-3.021828
"509484"	143.046224	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M-3H"	-3.021828
"887286"	47.0105573333333	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-3H"	-3.021828
"4767"	143.046224	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M-2H"	-2.014552
"441532"	215.072974	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M-2H"	-2.014552
"821041"	71.019474	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-2H"	-2.014552
"93554"	287.099724	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M-H"	-1.007276
"532266"	431.153224	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M-H"	-1.007276
"903869"	143.046224	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-H"	-1.007276
"52776"	304.126271	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M-2H+NH4"	16.019271
"488455"	448.179771	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M-2H+NH4"	16.019271
"874520"	160.072771	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-2H+NH4"	16.019271
"44606"	309.081666	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M-2H+Na"	20.974666
"477607"	453.135166	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M-2H+Na"	20.974666
"860876"	165.028166	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-2H+Na"	20.974666
"1633691"	165.028166	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Na-2H"	20.974666
"104748"	161.034563	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M-H+Cl"	33.962126
"542120"	233.061313	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M-H+Cl"	33.962126
"932355"	89.007813	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-H+Cl"	33.962126
"271277"	323.076402	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+Cl"	34.969402
"666621"	467.129902	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+Cl"	34.969402
"1276837"	179.022902	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Cl"	34.969402
"22673"	325.055606	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M-2H+K"	36.948606
"464418"	469.109106	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M-2H+K"	36.948606
"836752"	181.002106	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-2H+K"	36.948606
"1558049"	181.002106	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+K-2H"	36.948606
"944109"	189.051694	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-H+HCOOH"	44.998194
"363054"	333.105201	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+HCOOH-H"	44.998201
"346572"	347.120851	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+Hac-H"	59.013851
"1503434"	203.067351	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Hac-H"	59.013851
"969882"	211.033651	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-H+NaCOOH"	66.980151
"118790"	179.022902	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+2Cl"	69.938804
"559444"	251.049652	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+2Cl"	69.938804
"1027147"	106.996152	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2Cl"	69.938804
"1248547"	222.972385	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Br"	78.918885
"1306379"	225.028372	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Cl+HCOOH"	80.974872
"1322660"	247.010329	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Cl+NaCOOH"	102.956829
"911485"	257.039086	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M-H+CF3COOH"	112.985586
"1288961"	293.015764	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Cl+CF3COOH"	148.962264
"1367852"	109.040824	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H-2H2O"	-35.012676
"1383527"	127.0508	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H-H2O"	-17.0027
"285771"	289.114276	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+H"	1.007276
"676485"	433.167776	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+H"	1.007276
"1353449"	145.060776	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H"	1.007276
"126821"	145.060776	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+2H"	2.014552
"568088"	217.087526	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+2H"	2.014552
"1037973"	73.034026	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2H"	2.014552
"204341"	97.0429426666667	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+3H"	3.021828
"645196"	145.060776	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+3H"	3.021828
"1164540"	49.0251093333333	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+3H"	3.021828
"425015"	306.140823	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+NH4"	18.033823
"787476"	450.194323	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+NH4"	18.033823
"1688183"	162.087323	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+NH4"	18.033823
"330992"	153.5740495	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+H+NH4"	19.041099
"722832"	225.6007995	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+H+NH4"	19.041099
"1480879"	81.5472995	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H+NH4"	19.041099
"395914"	311.096218	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+Na"	22.989218
"756180"	455.149718	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+Na"	22.989218
"1608291"	167.042718	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Na"	22.989218
"322707"	156.051747	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+H+Na"	23.996494
"721326"	228.078497	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+H+Na"	23.996494
"1473324"	84.024997	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H+Na"	23.996494
"1066572"	56.3524233333333	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2H+Na"	25.00377
"1272385"	177.086986	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+CH3OH+H"	33.033486
"391206"	327.070158	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+K"	38.963158
"753292"	471.123658	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+K"	38.963158
"1553156"	183.016658	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+K"	38.963158
"311430"	164.038717	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+H+K"	39.970434
"704941"	236.065467	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+H+K"	39.970434
"1458763"	92.011967	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H+K"	39.970434
"248461"	330.140826	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+ACN+H"	42.033826
"1217890"	186.087326	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+ACN+H"	42.033826
"1202865"	93.547301	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+ACN+2H"	43.041102
"196827"	333.07816	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+2Na-H"	44.97116
"634204"	477.13166	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+2Na-H"	44.97116
"1140990"	189.02466	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2Na-H"	44.97116
"179907"	167.042718	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+2Na"	45.978436
"614605"	239.069468	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+2Na"	45.978436
"1121880"	95.015968	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2Na"	45.978436
"1401029"	63.6797373333333	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H+2Na"	46.985712
"1430955"	191.066246	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H+HCOOH"	47.012746
"221256"	172.07574	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+3H2O+2H"	56.04448
"1510537"	205.11829	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+IsoProp+H"	61.06479
"410343"	175.029688	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+Na+K"	61.952376
"771096"	247.056438	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+Na+K"	61.952376
"1670099"	103.002938	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Na+K"	61.952376
"253336"	352.122768	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+ACN+Na"	64.015768
"1230420"	208.069268	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+ACN+Na"	64.015768
"1715294"	208.092793	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+NH4+HCOOH"	64.039293
"1181380"	71.0070513333333	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+3Na"	68.967654
"1651874"	213.048188	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Na+HCOOH"	68.994688
"159707"	365.02604	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+2K-H"	76.91904
"598789"	509.07954	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+2K-H"	76.91904
"1085241"	220.97254	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2K-H"	76.91904
"143394"	183.016658	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"2M+2K"	77.926316
"586240"	255.043408	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"3M+2K"	77.926316
"1069901"	110.989908	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2K"	77.926316
"1111629"	222.987092	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2K+H"	78.933592
"1344734"	223.074707	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+DMSO+H"	79.021207
"1017639"	227.113876	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2ACN+H"	83.060376
"1538804"	228.107508	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+IsoProp+Na+H"	84.054008
"1003306"	114.060576	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+2ACN+2H"	84.067652
"1598902"	229.022128	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+K+HCOOH"	84.968628
"1427844"	259.053638	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+H+CF3COOH"	115.000138
"1159226"	134.573851	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+3ACN+2H"	125.094202
"1710963"	276.080185	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+NH4+CF3COOH"	132.026685
"1641146"	281.03558	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+Na+CF3COOH"	136.98208
"1575703"	297.00952	"C19485"	"N-Nitrosoproline;1-Nitroso-L-proline"	"C5H8N2O3"	"144.0535"	"M+K+CF3COOH"	152.95602
"801416"	137.0477	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M"	0
"979603"	118.02931	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H2O-H"	-19.01839
"68940"	90.3578573333333	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-3H"	-3.021828
"509594"	136.040424	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-3H"	-3.021828
"887396"	44.6752906666667	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-3H"	-3.021828
"8157"	136.040424	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H"	-2.014552
"442251"	204.564274	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H"	-2.014552
"817867"	67.516574	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H"	-2.014552
"79070"	273.088124	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-H"	-1.007276
"532379"	410.135824	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-H"	-1.007276
"909446"	136.040424	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H"	-1.007276
"56166"	290.114671	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H+NH4"	16.019271
"496829"	427.162371	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H+NH4"	16.019271
"876457"	153.066971	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H+NH4"	16.019271
"46174"	295.070066	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H+Na"	20.974666
"483184"	432.117766	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H+Na"	20.974666
"859893"	158.022366	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H+Na"	20.974666
"1632343"	158.022366	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na-2H"	20.974666
"105951"	154.028763	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-H+Cl"	33.962126
"542230"	222.552613	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-H+Cl"	33.962126
"930277"	85.504913	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+Cl"	33.962126
"271023"	309.064802	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Cl"	34.969402
"666729"	446.112502	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+Cl"	34.969402
"1278039"	172.017102	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl"	34.969402
"23875"	311.044006	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H+K"	36.948606
"461248"	448.091706	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H+K"	36.948606
"836862"	173.996306	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H+K"	36.948606
"1557552"	173.996306	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K-2H"	36.948606
"942941"	182.045894	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+HCOOH"	44.998194
"361453"	319.093601	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+HCOOH-H"	44.998201
"346318"	333.109251	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Hac-H"	59.013851
"1502451"	196.061551	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Hac-H"	59.013851
"968899"	204.027851	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+NaCOOH"	66.980151
"122180"	172.017102	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2Cl"	69.938804
"559554"	240.540952	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2Cl"	69.938804
"1027622"	103.493252	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2Cl"	69.938804
"1248293"	215.966585	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Br"	78.918885
"1308920"	218.022572	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl+HCOOH"	80.974872
"1320053"	240.004529	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl+NaCOOH"	102.956829
"911763"	250.033286	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+CF3COOH"	112.985586
"1288752"	286.009964	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl+CF3COOH"	148.962264
"1367310"	102.035024	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H-2H2O"	-35.012676
"1383393"	120.045	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H-H2O"	-17.0027
"285881"	275.102676	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H"	1.007276
"676110"	412.150376	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H"	1.007276
"1352465"	138.054976	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H"	1.007276
"127170"	138.054976	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2H"	2.014552
"568198"	206.578826	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2H"	2.014552
"1037599"	69.531126	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2H"	2.014552
"204409"	92.3724093333333	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+3H"	3.021828
"644822"	138.054976	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+3H"	3.021828
"1165505"	46.6898426666667	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+3H"	3.021828
"424801"	292.129223	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+NH4"	18.033823
"789045"	429.176923	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+NH4"	18.033823
"1689387"	155.081523	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+NH4"	18.033823
"333290"	146.5682495	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H+NH4"	19.041099
"722945"	215.0920995	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H+NH4"	19.041099
"1479532"	78.0443995	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+NH4"	19.041099
"393141"	297.084618	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Na"	22.989218
"757019"	434.132318	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+Na"	22.989218
"1607307"	160.036918	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na"	22.989218
"322817"	149.045947	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H+Na"	23.996494
"717423"	217.569797	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H+Na"	23.996494
"1476108"	80.522097	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+Na"	23.996494
"1064494"	54.0171566666667	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2H+Na"	25.00377
"1272541"	170.081186	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+CH3OH+H"	33.033486
"391316"	313.058558	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+K"	38.963158
"753526"	450.106258	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+K"	38.963158
"1552173"	176.010858	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K"	38.963158
"313730"	157.032917	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H+K"	39.970434
"705051"	225.556767	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H+K"	39.970434
"1459965"	88.509067	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+K"	39.970434
"251083"	316.129226	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+ACN+H"	42.033826
"1220186"	179.081526	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+ACN+H"	42.033826
"1205162"	90.044401	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+ACN+2H"	43.041102
"198030"	319.06656	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2Na-H"	44.97116
"637596"	456.11426	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2Na-H"	44.97116
"1134538"	182.01886	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2Na-H"	44.97116
"177830"	160.036918	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2Na"	45.978436
"617389"	228.560768	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2Na"	45.978436
"1119803"	91.513068	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2Na"	45.978436
"1401139"	61.3444706666667	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+2Na"	46.985712
"1430576"	184.060446	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+HCOOH"	47.012746
"220883"	165.06994	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+3H2O+2H"	56.04448
"1510283"	198.11249	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+IsoProp+H"	61.06479
"409240"	168.023888	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Na+K"	61.952376
"771693"	236.547738	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+Na+K"	61.952376
"1670209"	99.500038	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na+K"	61.952376
"254539"	338.111168	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+ACN+Na"	64.015768
"1229436"	201.063468	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+ACN+Na"	64.015768
"1716131"	201.086993	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+NH4+HCOOH"	64.039293
"1181486"	68.6717846666667	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+3Na"	68.967654
"1652109"	206.042388	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na+HCOOH"	68.994688
"160426"	351.01444	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2K-H"	76.91904
"598048"	488.06214	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2K-H"	76.91904
"1086689"	213.96674	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2K-H"	76.91904
"143625"	176.010858	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2K"	77.926316
"585257"	244.534708	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2K"	77.926316
"1070862"	107.487008	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2K"	77.926316
"1111739"	215.981292	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2K+H"	78.933592
"1342658"	216.068907	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+DMSO+H"	79.021207
"1015563"	220.108076	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2ACN+H"	83.060376
"1538793"	221.101708	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+IsoProp+Na+H"	84.054008
"1004268"	110.557676	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2ACN+2H"	84.067652
"1599012"	222.016328	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K+HCOOH"	84.968628
"1424673"	252.047838	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+CF3COOH"	115.000138
"1158242"	131.070951	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+3ACN+2H"	125.094202
"1708886"	269.074385	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+NH4+CF3COOH"	132.026685
"1637976"	274.02978	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na+CF3COOH"	136.98208
"1575813"	290.00372	"C19486"	"3-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K+CF3COOH"	152.95602
"802169"	360.0818	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M"	0
"982993"	341.06341	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-H2O-H"	-19.01839
"69050"	239.047257333333	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M-3H"	-3.021828
"509704"	359.074524	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M-3H"	-3.021828
"884226"	119.019990666667	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-3H"	-3.021828
"7174"	359.074524	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M-2H"	-2.014552
"442361"	539.115424	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M-2H"	-2.014552
"818462"	179.033624	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-2H"	-2.014552
"79060"	719.156324	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M-H"	-1.007276
"532727"	1079.238124	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M-H"	-1.007276
"900807"	359.074524	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-H"	-1.007276
"48736"	736.182871	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M-2H+NH4"	16.019271
"492563"	1096.264671	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M-2H+NH4"	16.019271
"868178"	376.101071	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-2H+NH4"	16.019271
"42639"	741.138266	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M-2H+Na"	20.974666
"476733"	1101.220066	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M-2H+Na"	20.974666
"856721"	381.056466	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-2H+Na"	20.974666
"1624067"	381.056466	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Na-2H"	20.974666
"99500"	377.062863	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M-H+Cl"	33.962126
"536872"	557.103763	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M-H+Cl"	33.962126
"928562"	197.021963	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-H+Cl"	33.962126
"268943"	755.133002	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+Cl"	34.969402
"666839"	1115.214802	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+Cl"	34.969402
"1275233"	395.051202	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Cl"	34.969402
"20703"	757.112206	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M-2H+K"	36.948606
"461358"	1117.194006	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M-2H+K"	36.948606
"838065"	397.030406	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-2H+K"	36.948606
"1557176"	397.030406	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+K-2H"	36.948606
"942902"	405.079994	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-H+HCOOH"	44.998194
"361855"	765.161801	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+HCOOH-H"	44.998201
"346428"	779.177451	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+Hac-H"	59.013851
"1499644"	419.095651	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Hac-H"	59.013851
"962447"	427.061951	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-H+NaCOOH"	66.980151
"119010"	395.051202	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+2Cl"	69.938804
"557477"	575.092102	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+2Cl"	69.938804
"1025909"	215.010302	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2Cl"	69.938804
"1248403"	439.000685	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Br"	78.918885
"1309759"	441.056672	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Cl+HCOOH"	80.974872
"1322515"	463.038629	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Cl+NaCOOH"	102.956829
"911752"	473.067386	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M-H+CF3COOH"	112.985586
"1288728"	509.044064	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Cl+CF3COOH"	148.962264
"1367378"	325.069124	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H-2H2O"	-35.012676
"1383005"	343.0791	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H-H2O"	-17.0027
"283925"	721.170876	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+H"	1.007276
"676088"	1081.252676	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+H"	1.007276
"1351634"	361.089076	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H"	1.007276
"126300"	361.089076	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+2H"	2.014552
"566112"	541.129976	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+2H"	2.014552
"1037295"	181.048176	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2H"	2.014552
"204880"	241.061809333333	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+3H"	3.021828
"645171"	361.089076	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+3H"	3.021828
"1165615"	121.034542666667	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+3H"	3.021828
"424631"	738.197423	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+NH4"	18.033823
"786359"	1098.279223	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+NH4"	18.033823
"1682206"	378.115623	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+NH4"	18.033823
"333400"	369.6023495	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+H+NH4"	19.041099
"723137"	549.6432495	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+H+NH4"	19.041099
"1478912"	189.5614495	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H+NH4"	19.041099
"393091"	743.152818	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+Na"	22.989218
"757128"	1103.234618	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+Na"	22.989218
"1607417"	383.071018	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Na"	22.989218
"325113"	372.080047	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+H+Na"	23.996494
"717533"	552.120947	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+H+Na"	23.996494
"1474273"	192.039147	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H+Na"	23.996494
"1061322"	128.361856666667	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2H+Na"	25.00377
"1266280"	393.115286	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+CH3OH+H"	33.033486
"391417"	759.126758	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+K"	38.963158
"753755"	1119.208558	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+K"	38.963158
"1552283"	399.044958	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+K"	38.963158
"312744"	380.067017	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+H+K"	39.970434
"705769"	560.107917	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+H+K"	39.970434
"1458982"	200.026117	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H+K"	39.970434
"247584"	762.197426	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+ACN+H"	42.033826
"1221387"	402.115626	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+ACN+H"	42.033826
"1205271"	201.561451	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+ACN+2H"	43.041102
"197047"	765.13476	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+2Na-H"	44.97116
"635518"	1125.21656	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+2Na-H"	44.97116
"1134648"	405.05296	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2Na-H"	44.97116
"172907"	383.071018	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+2Na"	45.978436
"615313"	563.111918	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+2Na"	45.978436
"1116266"	203.030118	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2Na"	45.978436
"1401249"	135.689170666667	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H+2Na"	46.985712
"1429921"	407.094546	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H+HCOOH"	47.012746
"220058"	388.10404	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+3H2O+2H"	56.04448
"1508690"	421.14659	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+IsoProp+H"	61.06479
"410805"	391.057988	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+Na+K"	61.952376
"772895"	571.098888	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+Na+K"	61.952376
"1669225"	211.017088	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Na+K"	61.952376
"253920"	784.179368	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+ACN+Na"	64.015768
"1228087"	424.097568	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+ACN+Na"	64.015768
"1716240"	424.121093	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+NH4+HCOOH"	64.039293
"1182688"	143.016484666667	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+3Na"	68.967654
"1652583"	429.076488	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Na+HCOOH"	68.994688
"160169"	797.08264	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+2K-H"	76.91904
"599370"	1157.16444	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+2K-H"	76.91904
"1084648"	437.00084	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2K-H"	76.91904
"141907"	399.044958	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"2M+2K"	77.926316
"583180"	579.085858	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"3M+2K"	77.926316
"1070972"	219.004058	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2K"	77.926316
"1111849"	439.015392	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2K+H"	78.933592
"1344954"	439.103007	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+DMSO+H"	79.021207
"1015673"	443.142176	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2ACN+H"	83.060376
"1539145"	444.135808	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+IsoProp+Na+H"	84.054008
"1003162"	222.074726	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+2ACN+2H"	84.067652
"1599122"	445.050428	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+K+HCOOH"	84.968628
"1424783"	475.081938	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+H+CF3COOH"	115.000138
"1158352"	242.588001	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+3ACN+2H"	125.094202
"1707903"	492.108485	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+NH4+CF3COOH"	132.026685
"1641366"	497.06388	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+Na+CF3COOH"	136.98208
"1572643"	513.03782	"C19487"	"Nitrovin;Difurazone"	"C14H12N6O6"	"360.0818"	"M+K+CF3COOH"	152.95602
"806289"	256.1252	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M"	0
"986383"	237.10681	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-H2O-H"	-19.01839
"69160"	169.742857333333	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M-3H"	-3.021828
"509814"	255.117924	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M-3H"	-3.021828
"884336"	84.3677906666667	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-3H"	-3.021828
"7284"	255.117924	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M-2H"	-2.014552
"445751"	383.180524	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M-2H"	-2.014552
"818451"	127.055324	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-2H"	-2.014552
"81354"	511.243124	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M-H"	-1.007276
"529676"	767.368324	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M-H"	-1.007276
"897637"	255.117924	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-H"	-1.007276
"50179"	528.269671	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M-2H+NH4"	16.019271
"491580"	784.394871	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M-2H+NH4"	16.019271
"866101"	272.144471	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-2H+NH4"	16.019271
"41655"	533.225066	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M-2H+Na"	20.974666
"475750"	789.350266	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M-2H+Na"	20.974666
"851363"	277.099866	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-2H+Na"	20.974666
"1620167"	277.099866	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Na-2H"	20.974666
"100703"	273.106263	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M-H+Cl"	33.962126
"536982"	401.168863	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M-H+Cl"	33.962126
"927456"	145.043663	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-H+Cl"	33.962126
"267467"	547.219802	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+Cl"	34.969402
"664033"	803.345002	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+Cl"	34.969402
"1274979"	291.094602	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Cl"	34.969402
"19720"	549.199006	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M-2H+K"	36.948606
"458187"	805.324206	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M-2H+K"	36.948606
"835260"	293.073806	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-2H+K"	36.948606
"1556801"	293.073806	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+K-2H"	36.948606
"943183"	301.123394	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-H+HCOOH"	44.998194
"363386"	557.248601	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+HCOOH-H"	44.998201
"346253"	571.264251	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+Hac-H"	59.013851
"1497931"	315.139051	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Hac-H"	59.013851
"964745"	323.105351	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-H+NaCOOH"	66.980151
"117297"	291.094602	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+2Cl"	69.938804
"555399"	419.157202	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+2Cl"	69.938804
"1024196"	163.032002	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2Cl"	69.938804
"1246690"	335.044085	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Br"	78.918885
"1309504"	337.100072	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Cl+HCOOH"	80.974872
"1320438"	359.082029	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Cl+NaCOOH"	102.956829
"911613"	369.110786	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M-H+CF3COOH"	112.985586
"1288680"	405.087464	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Cl+CF3COOH"	148.962264
"1367166"	221.112524	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H-2H2O"	-35.012676
"1382930"	239.1225	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H-H2O"	-17.0027
"283305"	513.257676	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+H"	1.007276
"675809"	769.382876	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+H"	1.007276
"1352233"	257.132476	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H"	1.007276
"126415"	257.132476	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+2H"	2.014552
"566344"	385.195076	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+2H"	2.014552
"1038303"	129.069876	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2H"	2.014552
"205114"	171.757409333333	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+3H"	3.021828
"645768"	257.132476	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+3H"	3.021828
"1165725"	86.3823426666667	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+3H"	3.021828
"424863"	530.284223	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+NH4"	18.033823
"786465"	786.409423	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+NH4"	18.033823
"1682680"	274.159023	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+NH4"	18.033823
"331687"	265.6457495	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+H+NH4"	19.041099
"723616"	393.7083495	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+H+NH4"	19.041099
"1479386"	137.5831495	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H+NH4"	19.041099
"393930"	535.239618	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+Na"	22.989218
"760518"	791.364818	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+Na"	22.989218
"1609714"	279.114418	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Na"	22.989218
"325223"	268.123447	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+H+Na"	23.996494
"717643"	396.186047	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+H+Na"	23.996494
"1476695"	140.060847	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H+Na"	23.996494
"1062525"	93.7096566666667	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2H+Na"	25.00377
"1268577"	289.158686	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+CH3OH+H"	33.033486
"390434"	551.213558	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+K"	38.963158
"752528"	807.338758	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+K"	38.963158
"1549111"	295.088358	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+K"	38.963158
"311759"	276.110417	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+H+K"	39.970434
"705271"	404.173017	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+H+K"	39.970434
"1454717"	148.047817	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H+K"	39.970434
"247694"	554.284226	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+ACN+H"	42.033826
"1219310"	298.159026	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+ACN+H"	42.033826
"1206473"	149.583151	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+ACN+2H"	43.041102
"199344"	557.22156	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+2Na-H"	44.97116
"639636"	813.34676	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+2Na-H"	44.97116
"1136945"	301.09636	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2Na-H"	44.97116
"175134"	279.114418	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+2Na"	45.978436
"616516"	407.177018	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+2Na"	45.978436
"1117106"	151.051818	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2Na"	45.978436
"1401359"	101.036970666667	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H+2Na"	46.985712
"1431652"	303.137946	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H+HCOOH"	47.012746
"220977"	284.14744	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+3H2O+2H"	56.04448
"1509041"	317.18999	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+IsoProp+H"	61.06479
"409456"	287.101388	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+Na+K"	61.952376
"773732"	415.163988	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+Na+K"	61.952376
"1669336"	159.038788	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Na+K"	61.952376
"255852"	576.266168	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+ACN+Na"	64.015768
"1227467"	320.140968	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+ACN+Na"	64.015768
"1715985"	320.164493	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+NH4+HCOOH"	64.039293
"1182797"	108.364284666667	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+3Na"	68.967654
"1651965"	325.119888	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Na+HCOOH"	68.994688
"158458"	589.16944	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+2K-H"	76.91904
"597900"	845.29464	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+2K-H"	76.91904
"1085327"	333.04424	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2K-H"	76.91904
"141772"	295.088358	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"2M+2K"	77.926316
"584383"	423.150958	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"3M+2K"	77.926316
"1071082"	167.025758	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2K"	77.926316
"1110866"	335.058792	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2K+H"	78.933592
"1349682"	335.146407	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+DMSO+H"	79.021207
"1014687"	339.185576	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2ACN+H"	83.060376
"1539014"	340.179208	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+IsoProp+Na+H"	84.054008
"1004976"	170.096426	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+2ACN+2H"	84.067652
"1599232"	341.093828	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+K+HCOOH"	84.968628
"1425986"	371.125338	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+H+CF3COOH"	115.000138
"1158462"	190.609701	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+3ACN+2H"	125.094202
"1708013"	388.151885	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+NH4+CF3COOH"	132.026685
"1644756"	393.10728	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+Na+CF3COOH"	136.98208
"1573846"	409.08122	"C19488"	"712-Dimethylbenzaanthracene;DMBA"	"C20H16"	"256.1252"	"M+K+CF3COOH"	152.95602
"803119"	272.1201	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M"	0
"986493"	253.10171	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-H2O-H"	-19.01839
"69270"	180.406124	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M-3H"	-3.021828
"514298"	271.112824	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M-3H"	-3.021828
"887726"	89.699424	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-3H"	-3.021828
"10674"	271.112824	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M-2H"	-2.014552
"445861"	407.172874	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M-2H"	-2.014552
"821479"	135.052774	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-2H"	-2.014552
"79521"	543.232924	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M-H"	-1.007276
"529786"	815.353024	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M-H"	-1.007276
"897747"	271.112824	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-H"	-1.007276
"49931"	560.259471	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M-2H+NH4"	16.019271
"494970"	832.379571	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M-2H+NH4"	16.019271
"874959"	288.139371	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-2H+NH4"	16.019271
"43224"	565.214866	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M-2H+Na"	20.974666
"475860"	837.334966	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M-2H+Na"	20.974666
"856941"	293.094766	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-2H+Na"	20.974666
"1623194"	293.094766	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Na-2H"	20.974666
"103001"	289.101163	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M-H+Cl"	33.962126
"539278"	425.161213	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M-H+Cl"	33.962126
"931699"	153.041113	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-H+Cl"	33.962126
"268432"	579.209602	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+Cl"	34.969402
"664872"	851.329702	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+Cl"	34.969402
"1278369"	307.089502	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Cl"	34.969402
"19830"	581.188806	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M-2H+K"	36.948606
"458297"	853.308906	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M-2H+K"	36.948606
"838286"	309.068706	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-2H+K"	36.948606
"1561772"	309.068706	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+K-2H"	36.948606
"946738"	317.118294	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-H+HCOOH"	44.998194
"366047"	589.238401	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+HCOOH-H"	44.998201
"348838"	603.254051	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+Hac-H"	59.013851
"1499133"	331.133951	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Hac-H"	59.013851
"965582"	339.100251	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-H+NaCOOH"	66.980151
"120323"	307.089502	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+2Cl"	69.938804
"555509"	443.149552	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+2Cl"	69.938804
"1023576"	171.029452	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2Cl"	69.938804
"1244612"	351.038985	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Br"	78.918885
"1307062"	353.094972	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Cl+HCOOH"	80.974872
"1320178"	375.076929	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Cl+NaCOOH"	102.956829
"911518"	385.105686	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M-H+CF3COOH"	112.985586
"1288503"	421.082364	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Cl+CF3COOH"	148.962264
"1367112"	237.107424	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H-2H2O"	-35.012676
"1382848"	255.1174	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H-H2O"	-17.0027
"283413"	545.247476	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+H"	1.007276
"675715"	817.367576	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+H"	1.007276
"1352181"	273.127376	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H"	1.007276
"126407"	273.127376	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+2H"	2.014552
"565673"	409.187426	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+2H"	2.014552
"1037128"	137.067326	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2H"	2.014552
"204860"	182.420676	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+3H"	3.021828
"645147"	273.127376	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+3H"	3.021828
"1163079"	91.713976	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+3H"	3.021828
"425457"	562.274023	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+NH4"	18.033823
"786211"	834.394123	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+NH4"	18.033823
"1683155"	290.153923	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+NH4"	18.033823
"330580"	281.6406495	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+H+NH4"	19.041099
"723235"	417.7006995	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+H+NH4"	19.041099
"1477236"	145.5805995	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H+NH4"	19.041099
"393186"	567.229418	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+Na"	22.989218
"754669"	839.349518	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+Na"	22.989218
"1609823"	295.109318	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Na"	22.989218
"325333"	284.118347	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+H+Na"	23.996494
"717753"	420.178397	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+H+Na"	23.996494
"1476768"	148.058297	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H+Na"	23.996494
"1068108"	99.04129	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2H+Na"	25.00377
"1270874"	305.153586	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+CH3OH+H"	33.033486
"390544"	583.203358	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+K"	38.963158
"751540"	855.323458	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+K"	38.963158
"1554323"	311.083258	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+K"	38.963158
"312596"	292.105317	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+H+K"	39.970434
"703194"	428.165367	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+H+K"	39.970434
"1454827"	156.045267	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H+K"	39.970434
"248897"	586.274026	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+ACN+H"	42.033826
"1219419"	314.153926	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+ACN+H"	42.033826
"1209259"	157.580601	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+ACN+2H"	43.041102
"199454"	589.21136	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+2Na-H"	44.97116
"641814"	861.33146	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+2Na-H"	44.97116
"1140335"	317.09126	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2Na-H"	44.97116
"177431"	295.109318	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+2Na"	45.978436
"618814"	431.169368	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+2Na"	45.978436
"1119405"	159.049268	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2Na"	45.978436
"1401469"	106.368604	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H+2Na"	46.985712
"1431399"	319.132846	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H+HCOOH"	47.012746
"220969"	300.14234	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+3H2O+2H"	56.04448
"1508826"	333.18489	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+IsoProp+H"	61.06479
"409811"	303.096288	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+Na+K"	61.952376
"770927"	439.156338	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+Na+K"	61.952376
"1669447"	167.036238	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Na+K"	61.952376
"254141"	608.255968	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+ACN+Na"	64.015768
"1227579"	336.135868	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+ACN+Na"	64.015768
"1714640"	336.159393	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+NH4+HCOOH"	64.039293
"1181815"	113.695918	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+3Na"	68.967654
"1653898"	341.114788	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Na+HCOOH"	68.994688
"158934"	621.15924	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+2K-H"	76.91904
"598497"	893.27934	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+2K-H"	76.91904
"1085072"	349.03914	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2K-H"	76.91904
"141640"	311.083258	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"2M+2K"	77.926316
"587776"	447.143308	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"3M+2K"	77.926316
"1070220"	175.023208	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2K"	77.926316
"1114865"	351.053692	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2K+H"	78.933592
"1347359"	351.141307	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+DMSO+H"	79.021207
"1015890"	355.180476	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2ACN+H"	83.060376
"1539127"	356.174108	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+IsoProp+Na+H"	84.054008
"1005454"	178.093876	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+2ACN+2H"	84.067652
"1599342"	357.088728	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+K+HCOOH"	84.968628
"1427190"	387.120238	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+H+CF3COOH"	115.000138
"1158572"	198.607151	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+3ACN+2H"	125.094202
"1709216"	404.146785	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+NH4+CF3COOH"	132.026685
"1644866"	409.10218	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+Na+CF3COOH"	136.98208
"1576143"	425.07612	"C19489"	"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene"	"C20H16O"	"272.1201"	"M+K+CF3COOH"	152.95602
"802135"	290.1307	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M"	0
"977855"	271.11231	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H2O-H"	-19.01839
"69380"	192.413190666667	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-3H"	-3.021828
"511128"	289.123424	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-3H"	-3.021828
"884556"	95.7029573333333	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-3H"	-3.021828
"5317"	289.123424	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H"	-2.014552
"444878"	434.188774	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H"	-2.014552
"820860"	144.058074	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H"	-2.014552
"78604"	579.254124	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-H"	-1.007276
"528803"	869.384824	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-H"	-1.007276
"897857"	289.123424	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H"	-1.007276
"48946"	596.280671	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H+NH4"	16.019271
"498359"	886.411371	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H+NH4"	16.019271
"871787"	306.149971	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H+NH4"	16.019271
"43697"	601.236066	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H+Na"	20.974666
"478156"	891.366766	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H+Na"	20.974666
"854864"	311.105366	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H+Na"	20.974666
"1622210"	311.105366	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na-2H"	20.974666
"99830"	307.111763	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-H+Cl"	33.962126
"538294"	452.177113	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-H+Cl"	33.962126
"931809"	162.046413	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+Cl"	33.962126
"268300"	615.230802	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Cl"	34.969402
"664253"	905.361502	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+Cl"	34.969402
"1276292"	325.100102	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl"	34.969402
"21033"	617.210006	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H+K"	36.948606
"458407"	907.340706	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H+K"	36.948606
"835111"	327.079306	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H+K"	36.948606
"1556535"	327.079306	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K-2H"	36.948606
"945391"	335.128894	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+HCOOH"	44.998194
"366886"	625.259601	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+HCOOH-H"	44.998201
"347854"	639.275251	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Hac-H"	59.013851
"1498878"	349.144551	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Hac-H"	59.013851
"964963"	357.110851	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+NaCOOH"	66.980151
"114233"	325.100102	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2Cl"	69.938804
"555983"	470.165452	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2Cl"	69.938804
"1023321"	180.034752	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2Cl"	69.938804
"1245086"	369.049585	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Br"	78.918885
"1308630"	371.105572	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl+HCOOH"	80.974872
"1320205"	393.087529	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl+NaCOOH"	102.956829
"911712"	403.116286	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+CF3COOH"	112.985586
"1288901"	439.092964	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl+CF3COOH"	148.962264
"1367177"	255.118024	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H-2H2O"	-35.012676
"1382892"	273.128	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H-H2O"	-17.0027
"283767"	581.268676	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H"	1.007276
"675810"	871.399376	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H"	1.007276
"1351683"	291.137976	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H"	1.007276
"126517"	291.137976	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2H"	2.014552
"565816"	436.203326	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2H"	2.014552
"1037386"	146.072626	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2H"	2.014552
"204272"	194.427742666667	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+3H"	3.021828
"645257"	291.137976	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+3H"	3.021828
"1163143"	97.7175093333333	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+3H"	3.021828
"424840"	598.295223	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+NH4"	18.033823
"785753"	888.425923	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+NH4"	18.033823
"1682292"	308.164523	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+NH4"	18.033823
"331170"	299.6512495	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H+NH4"	19.041099
"722904"	444.7165995	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H+NH4"	19.041099
"1477294"	154.5858995	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+NH4"	19.041099
"393055"	603.250618	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Na"	22.989218
"754781"	893.381318	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+Na"	22.989218
"1609933"	313.119918	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na"	22.989218
"327629"	302.128947	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H+Na"	23.996494
"717863"	447.194297	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H+Na"	23.996494
"1476759"	157.063597	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+Na"	23.996494
"1068375"	105.044823333333	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2H+Na"	25.00377
"1272736"	323.164186	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+CH3OH+H"	33.033486
"391747"	619.224558	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+K"	38.963158
"752743"	909.355258	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+K"	38.963158
"1549326"	329.093858	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K"	38.963158
"308692"	310.115917	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H+K"	39.970434
"701115"	455.181267	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H+K"	39.970434
"1454937"	165.050567	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+K"	39.970434
"249007"	622.295226	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+ACN+H"	42.033826
"1219529"	332.164526	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+ACN+H"	42.033826
"1207060"	166.585901	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+ACN+2H"	43.041102
"201027"	625.23256	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2Na-H"	44.97116
"641680"	915.36326	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2Na-H"	44.97116
"1140445"	335.10186	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2Na-H"	44.97116
"177541"	313.119918	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2Na"	45.978436
"616737"	458.185268	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2Na"	45.978436
"1117447"	168.054568	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2Na"	45.978436
"1399024"	112.372137333333	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+2Na"	46.985712
"1432238"	337.143446	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+HCOOH"	47.012746
"221443"	318.15294	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+3H2O+2H"	56.04448
"1509018"	351.19549	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+IsoProp+H"	61.06479
"408585"	321.106888	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Na+K"	61.952376
"770671"	466.172238	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+Na+K"	61.952376
"1667004"	176.041538	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na+K"	61.952376
"254616"	644.277168	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+ACN+Na"	64.015768
"1230971"	354.146468	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+ACN+Na"	64.015768
"1713536"	354.169993	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+NH4+HCOOH"	64.039293
"1179376"	119.699451333333	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+3Na"	68.967654
"1651455"	359.125388	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na+HCOOH"	68.994688
"157260"	657.18044	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2K-H"	76.91904
"597391"	947.31114	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2K-H"	76.91904
"1086405"	367.04974	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2K-H"	76.91904
"142367"	329.093858	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2K"	77.926316
"583145"	474.159208	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2K"	77.926316
"1075684"	184.028508	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2K"	77.926316
"1114366"	369.064292	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2K+H"	78.933592
"1347469"	369.151907	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+DMSO+H"	79.021207
"1016000"	373.191076	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2ACN+H"	83.060376
"1539117"	374.184708	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+IsoProp+Na+H"	84.054008
"1002762"	187.099176	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2ACN+2H"	84.067652
"1597264"	375.099328	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K+HCOOH"	84.968628
"1425112"	405.130838	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+CF3COOH"	115.000138
"1156491"	207.612451	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+3ACN+2H"	125.094202
"1709323"	422.157385	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+NH4+CF3COOH"	132.026685
"1644976"	427.11278	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na+CF3COOH"	136.98208
"1576253"	443.08672	"C19490"	"trans-34-Dihydro-34-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-34-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K+CF3COOH"	152.95602
"802245"	101.0841	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M"	0
"979058"	82.06571	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H2O-H"	-19.01839
"69490"	66.382124	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-3H"	-3.021828
"512331"	100.076824	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-3H"	-3.021828
"884666"	32.687424	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-3H"	-3.021828
"5427"	100.076824	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H"	-2.014552
"446081"	150.618874	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H"	-2.014552
"819513"	49.534774	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H"	-2.014552
"78848"	201.160924	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-H"	-1.007276
"525633"	302.245024	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-H"	-1.007276
"897967"	100.076824	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H"	-1.007276
"49782"	218.187471	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H+NH4"	16.019271
"499927"	319.271571	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H+NH4"	16.019271
"875906"	117.103371	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H+NH4"	16.019271
"41985"	223.142866	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H+Na"	20.974666
"480453"	324.226966	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H+Na"	20.974666
"853880"	122.058766	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H+Na"	20.974666
"1621227"	122.058766	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na-2H"	20.974666
"98847"	118.065163	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-H+Cl"	33.962126
"538404"	168.607213	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-H+Cl"	33.962126
"929732"	67.523113	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+Cl"	33.962126
"267226"	237.137602	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Cl"	34.969402
"667280"	338.221702	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+Cl"	34.969402
"1277496"	136.053502	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl"	34.969402
"20050"	239.116806	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H+K"	36.948606
"457545"	340.200906	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H+K"	36.948606
"834128"	138.032706	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H+K"	36.948606
"1556524"	138.032706	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K-2H"	36.948606
"946958"	146.082294	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+HCOOH"	44.998194
"366996"	247.166401	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+HCOOH-H"	44.998201
"349786"	261.182051	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Hac-H"	59.013851
"1498625"	160.097951	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Hac-H"	59.013851
"962888"	168.064251	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+NaCOOH"	66.980151
"115438"	136.053502	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2Cl"	69.938804
"555001"	186.595552	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2Cl"	69.938804
"1026349"	85.511452	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2Cl"	69.938804
"1245563"	180.002985	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Br"	78.918885
"1307283"	182.058972	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl+HCOOH"	80.974872
"1321128"	204.040929	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl+NaCOOH"	102.956829
"912917"	214.069686	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+CF3COOH"	112.985586
"1288646"	250.046364	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl+CF3COOH"	148.962264
"1367075"	66.071424	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H-2H2O"	-35.012676
"1382964"	84.0814	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H-H2O"	-17.0027
"284241"	203.175476	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H"	1.007276
"675817"	304.259576	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H"	1.007276
"1352037"	102.091376	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H"	1.007276
"126143"	102.091376	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2H"	2.014552
"566429"	152.633426	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2H"	2.014552
"1037576"	51.549326	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2H"	2.014552
"204993"	68.396676	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+3H"	3.021828
"645247"	102.091376	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+3H"	3.021828
"1163978"	34.701976	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+3H"	3.021828
"424295"	220.202023	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+NH4"	18.033823
"785860"	321.286123	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+NH4"	18.033823
"1681422"	119.117923	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+NH4"	18.033823
"330025"	110.6046495	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H+NH4"	19.041099
"723817"	161.1466995	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H+NH4"	19.041099
"1477118"	60.0625995	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+NH4"	19.041099
"393076"	225.157418	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Na"	22.989218
"754304"	326.241518	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+Na"	22.989218
"1608950"	124.073318	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na"	22.989218
"317894"	113.082347	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H+Na"	23.996494
"719067"	163.624397	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H+Na"	23.996494
"1475077"	62.540297	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+Na"	23.996494
"1067920"	42.02929	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2H+Na"	25.00377
"1270730"	134.117586	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+CH3OH+H"	33.033486
"390764"	241.131358	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+K"	38.963158
"751762"	342.215458	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+K"	38.963158
"1552353"	140.047258	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K"	38.963158
"308803"	121.069317	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H+K"	39.970434
"704506"	171.611367	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H+K"	39.970434
"1452859"	70.527267	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+K"	39.970434
"249846"	244.202026	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+ACN+H"	42.033826
"1220734"	143.117926	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+ACN+H"	42.033826
"1205711"	72.062601	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+ACN+2H"	43.041102
"200771"	247.13936	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2Na-H"	44.97116
"636323"	348.22346	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2Na-H"	44.97116
"1142379"	146.05526	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2Na-H"	44.97116
"175585"	124.073318	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2Na"	45.978436
"620125"	174.615368	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2Na"	45.978436
"1123631"	73.531268	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2Na"	45.978436
"1399012"	49.356604	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+2Na"	46.985712
"1432711"	148.096846	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+HCOOH"	47.012746
"220085"	129.10634	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+3H2O+2H"	56.04448
"1508553"	162.14889	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+IsoProp+H"	61.06479
"408803"	132.060288	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Na+K"	61.952376
"769941"	182.602338	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+Na+K"	61.952376
"1666870"	81.518238	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na+K"	61.952376
"254363"	266.183968	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+ACN+Na"	64.015768
"1228530"	165.099868	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+ACN+Na"	64.015768
"1713159"	165.123393	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+NH4+HCOOH"	64.039293
"1179000"	56.683918	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+3Na"	68.967654
"1652298"	170.078788	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na+HCOOH"	68.994688
"160254"	279.08724	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2K-H"	76.91904
"597865"	380.17134	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2K-H"	76.91904
"1088337"	178.00314	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2K-H"	76.91904
"142477"	140.047258	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2K"	77.926316
"583619"	190.589308	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2K"	77.926316
"1075794"	89.505208	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2K"	77.926316
"1114112"	180.017692	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2K+H"	78.933592
"1347579"	180.105307	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+DMSO+H"	79.021207
"1013924"	184.144476	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2ACN+H"	83.060376
"1532047"	185.138108	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+IsoProp+Na+H"	84.054008
"997401"	92.575876	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2ACN+2H"	84.067652
"1595186"	186.052728	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K+HCOOH"	84.968628
"1425222"	216.084238	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+CF3COOH"	115.000138
"1156601"	113.089151	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+3ACN+2H"	125.094202
"1709433"	233.110785	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+NH4+CF3COOH"	132.026685
"1636336"	238.06618	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na+CF3COOH"	136.98208
"1576363"	254.04012	"C19491"	"(E)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K+CF3COOH"	152.95602
"802356"	786.2525	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M"	0
"985733"	767.23411	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-H2O-H"	-19.01839
"68509"	523.161057333333	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M-3H"	-3.021828
"509161"	785.245224	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M-3H"	-3.021828
"884775"	261.076890666667	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-3H"	-3.021828
"2254"	785.245224	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M-2H"	-2.014552
"446197"	1178.371474	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M-2H"	-2.014552
"817921"	392.118974	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-2H"	-2.014552
"87277"	1571.497724	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M-H"	-1.007276
"530484"	2357.750224	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M-H"	-1.007276
"900265"	785.245224	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-H"	-1.007276
"60475"	1588.524271	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M-2H+NH4"	16.019271
"499307"	2374.776771	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M-2H+NH4"	16.019271
"874195"	802.271771	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-2H+NH4"	16.019271
"32376"	1593.479666	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M-2H+Na"	20.974666
"471689"	2379.732166	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M-2H+Na"	20.974666
"849982"	807.227166	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-2H+Na"	20.974666
"1619514"	807.227166	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Na-2H"	20.974666
"94388"	803.233563	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M-H+Cl"	33.962126
"535356"	1196.359813	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M-H+Cl"	33.962126
"928749"	410.107313	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-H+Cl"	33.962126
"267673"	1607.474402	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+Cl"	34.969402
"661920"	2393.726902	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+Cl"	34.969402
"1273226"	821.221902	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Cl"	34.969402
"15846"	1609.453606	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M-2H+K"	36.948606
"456802"	2395.706106	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M-2H+K"	36.948606
"833506"	823.201106	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-2H+K"	36.948606
"1555933"	823.201106	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+K-2H"	36.948606
"946704"	831.250694	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-H+HCOOH"	44.998194
"365285"	1617.503201	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+HCOOH-H"	44.998201
"349903"	1631.518851	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+Hac-H"	59.013851
"1498739"	845.266351	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Hac-H"	59.013851
"964092"	853.232651	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-H+NaCOOH"	66.980151
"111900"	821.221902	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+2Cl"	69.938804
"551092"	1214.348152	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+2Cl"	69.938804
"1024271"	428.095652	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2Cl"	69.938804
"1243121"	865.171385	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Br"	78.918885
"1304347"	867.227372	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Cl+HCOOH"	80.974872
"1319940"	889.209329	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Cl+NaCOOH"	102.956829
"911603"	899.238086	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M-H+CF3COOH"	112.985586
"1289369"	935.214764	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Cl+CF3COOH"	148.962264
"1367644"	751.239824	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H-2H2O"	-35.012676
"1383252"	769.2498	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H-H2O"	-17.0027
"283291"	1573.512276	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+H"	1.007276
"676410"	2359.764776	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+H"	1.007276
"1352270"	787.259776	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H"	1.007276
"125775"	787.259776	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+2H"	2.014552
"565769"	1180.386026	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+2H"	2.014552
"1037175"	394.133526	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2H"	2.014552
"204943"	525.175609333333	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+3H"	3.021828
"644662"	787.259776	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+3H"	3.021828
"1165181"	263.091442666667	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+3H"	3.021828
"426874"	1590.538823	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+NH4"	18.033823
"788239"	2376.791323	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+NH4"	18.033823
"1683109"	804.286323	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+NH4"	18.033823
"331386"	795.7730495	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+H+NH4"	19.041099
"723205"	1188.8992995	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+H+NH4"	19.041099
"1478114"	402.6467995	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H+NH4"	19.041099
"393269"	1595.494218	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+Na"	22.989218
"755615"	2381.746718	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+Na"	22.989218
"1609060"	809.241718	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Na"	22.989218
"318004"	798.250747	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+H+Na"	23.996494
"714798"	1191.376997	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+H+Na"	23.996494
"1476165"	405.124497	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H+Na"	23.996494
"1064061"	270.418756666667	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2H+Na"	25.00377
"1269021"	819.285986	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+CH3OH+H"	33.033486
"386503"	1611.468158	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+K"	38.963158
"750776"	2397.720658	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+K"	38.963158
"1552828"	825.215658	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+K"	38.963158
"306727"	806.237717	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+H+K"	39.970434
"698055"	1199.363967	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+H+K"	39.970434
"1454059"	413.111467	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H+K"	39.970434
"244848"	1614.538826	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+ACN+H"	42.033826
"1216467"	828.286326	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+ACN+H"	42.033826
"1206185"	414.646801	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+ACN+2H"	43.041102
"199422"	1617.47616	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+2Na-H"	44.97116
"634975"	2403.72866	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+2Na-H"	44.97116
"1135200"	831.22366	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2Na-H"	44.97116
"176302"	809.241718	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+2Na"	45.978436
"620234"	1202.367968	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+2Na"	45.978436
"1120461"	416.115468	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2Na"	45.978436
"1398602"	277.746070666667	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H+2Na"	46.985712
"1431725"	833.265246	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H+HCOOH"	47.012746
"220132"	814.27474	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+3H2O+2H"	56.04448
"1508562"	847.31729	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+IsoProp+H"	61.06479
"408580"	817.228688	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+Na+K"	61.952376
"770159"	1210.354938	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+Na+K"	61.952376
"1666496"	424.102438	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Na+K"	61.952376
"253015"	1636.520768	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+ACN+Na"	64.015768
"1225961"	850.268268	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+ACN+Na"	64.015768
"1713387"	850.291793	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+NH4+HCOOH"	64.039293
"1178945"	285.073384666667	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+3Na"	68.967654
"1650419"	855.247188	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Na+HCOOH"	68.994688
"158053"	1649.42404	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+2K-H"	76.91904
"597104"	2435.67654	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+2K-H"	76.91904
"1084880"	863.17154	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2K-H"	76.91904
"144536"	825.215658	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"2M+2K"	77.926316
"584827"	1218.341908	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"3M+2K"	77.926316
"1083446"	432.089408	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2K"	77.926316
"1111672"	865.186092	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2K+H"	78.933592
"1347693"	865.273707	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+DMSO+H"	79.021207
"1014033"	869.312876	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2ACN+H"	83.060376
"1533252"	870.306508	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+IsoProp+Na+H"	84.054008
"999700"	435.160076	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+2ACN+2H"	84.067652
"1594204"	871.221128	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+K+HCOOH"	84.968628
"1422051"	901.252638	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+H+CF3COOH"	115.000138
"1155620"	455.673351	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+3ACN+2H"	125.094202
"1700798"	918.279185	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+NH4+CF3COOH"	132.026685
"1645198"	923.23458	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+Na+CF3COOH"	136.98208
"1576474"	939.20852	"C19493"	"Estradiol mustard;Oestradiol mustard"	"C42H50Cl4N2O4"	"786.2525"	"M+K+CF3COOH"	152.95602
"806841"	324.1474	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M"	0
"986936"	305.12901	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-H2O-H"	-19.01839
"76272"	215.090990666667	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M-3H"	-3.021828
"515832"	323.140124	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M-3H"	-3.021828
"888167"	107.041857333333	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-3H"	-3.021828
"11114"	323.140124	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M-2H"	-2.014552
"446306"	485.213824	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M-2H"	-2.014552
"820827"	161.066424	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-2H"	-2.014552
"86294"	647.287524	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M-H"	-1.007276
"530230"	971.434924	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M-H"	-1.007276
"900375"	323.140124	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-H"	-1.007276
"59128"	664.314071	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M-2H+NH4"	16.019271
"500876"	988.461471	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M-2H+NH4"	16.019271
"877586"	340.166671	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-2H+NH4"	16.019271
"38926"	669.269466	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M-2H+Na"	20.974666
"471878"	993.416866	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M-2H+Na"	20.974666
"849120"	345.122066	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-2H+Na"	20.974666
"1622540"	345.122066	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Na-2H"	20.974666
"99067"	341.128463	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M-H+Cl"	33.962126
"538627"	503.202163	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M-H+Cl"	33.962126
"927768"	179.054763	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-H+Cl"	33.962126
"267266"	683.264202	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+Cl"	34.969402
"663853"	1007.411602	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+Cl"	34.969402
"1274433"	359.116802	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Cl"	34.969402
"17717"	685.243406	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M-2H+K"	36.948606
"456912"	1009.390806	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M-2H+K"	36.948606
"834710"	361.096006	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-2H+K"	36.948606
"1556494"	361.096006	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+K-2H"	36.948606
"947178"	369.145594	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-H+HCOOH"	44.998194
"368315"	693.293001	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+HCOOH-H"	44.998201
"353294"	707.308651	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+Hac-H"	59.013851
"1499942"	383.161251	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Hac-H"	59.013851
"962013"	391.127551	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-H+NaCOOH"	66.980151
"110552"	359.116802	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+2Cl"	69.938804
"553394"	521.190502	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+2Cl"	69.938804
"1026933"	197.043102	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2Cl"	69.938804
"1243595"	403.066285	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Br"	78.918885
"1304377"	405.122272	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Cl+HCOOH"	80.974872
"1322083"	427.104229	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Cl+NaCOOH"	102.956829
"912771"	437.132986	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M-H+CF3COOH"	112.985586
"1289843"	473.109664	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Cl+CF3COOH"	148.962264
"1367395"	289.134724	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H-2H2O"	-35.012676
"1388061"	307.1447	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H-H2O"	-17.0027
"284462"	649.302076	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+H"	1.007276
"676883"	973.449476	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+H"	1.007276
"1351772"	325.154676	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H"	1.007276
"127218"	325.154676	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+2H"	2.014552
"568239"	487.228376	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+2H"	2.014552
"1037169"	163.080976	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2H"	2.014552
"204817"	217.105542666667	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+3H"	3.021828
"645225"	325.154676	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+3H"	3.021828
"1164806"	109.056409333333	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+3H"	3.021828
"426619"	666.328623	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+NH4"	18.033823
"786526"	990.476023	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+NH4"	18.033823
"1682123"	342.181223	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+NH4"	18.033823
"330522"	333.6679495	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+H+NH4"	19.041099
"724650"	495.7416495	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+H+NH4"	19.041099
"1478838"	171.5942495	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H+NH4"	19.041099
"393992"	671.284018	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+Na"	22.989218
"758885"	995.431418	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+Na"	22.989218
"1605890"	347.136618	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Na"	22.989218
"324675"	336.145647	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+H+Na"	23.996494
"713816"	498.219347	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+H+Na"	23.996494
"1475669"	174.071947	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H+Na"	23.996494
"1067579"	116.383723333333	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2H+Na"	25.00377
"1269133"	357.180886	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+CH3OH+H"	33.033486
"389894"	687.257958	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+K"	38.963158
"749795"	1011.405358	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+K"	38.963158
"1553669"	363.110558	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+K"	38.963158
"309023"	344.132617	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+H+K"	39.970434
"702539"	506.206317	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+H+K"	39.970434
"1454172"	182.058917	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H+K"	39.970434
"243867"	690.328626	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+ACN+H"	42.033826
"1222045"	366.181226	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+ACN+H"	42.033826
"1205568"	183.594251	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+ACN+2H"	43.041102
"200262"	693.26596	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+2Na-H"	44.97116
"629373"	1017.41336	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+2Na-H"	44.97116
"1134215"	369.11856	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2Na-H"	44.97116
"175685"	347.136618	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+2Na"	45.978436
"615971"	509.210318	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+2Na"	45.978436
"1121664"	185.062918	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2Na"	45.978436
"1403368"	123.711037333333	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H+2Na"	46.985712
"1436211"	371.160146	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H+HCOOH"	47.012746
"222626"	352.16964	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+3H2O+2H"	56.04448
"1509595"	385.21219	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+IsoProp+H"	61.06479
"409524"	355.123588	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+Na+K"	61.952376
"772463"	517.197288	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+Na+K"	61.952376
"1670980"	193.049888	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Na+K"	61.952376
"256406"	712.310568	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+ACN+Na"	64.015768
"1228021"	388.163168	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+ACN+Na"	64.015768
"1714354"	388.186693	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+NH4+HCOOH"	64.039293
"1178694"	131.038351333333	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+3Na"	68.967654
"1650124"	393.142088	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Na+HCOOH"	68.994688
"157433"	725.21384	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+2K-H"	76.91904
"598211"	1049.36124	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+2K-H"	76.91904
"1090747"	401.06644	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2K-H"	76.91904
"146471"	363.110558	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"2M+2K"	77.926316
"590406"	525.184258	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"3M+2K"	77.926316
"1079300"	201.036858	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2K"	77.926316
"1113239"	403.080992	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2K+H"	78.933592
"1346710"	403.168607	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+DMSO+H"	79.021207
"1013050"	407.207776	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2ACN+H"	83.060376
"1530079"	408.201408	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+IsoProp+Na+H"	84.054008
"997619"	204.107526	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+2ACN+2H"	84.067652
"1588480"	409.116028	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+K+HCOOH"	84.968628
"1418877"	439.147538	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+H+CF3COOH"	115.000138
"1153542"	224.620801	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+3ACN+2H"	125.094202
"1700908"	456.174085	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+NH4+CF3COOH"	132.026685
"1645308"	461.12948	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+Na+CF3COOH"	136.98208
"1579864"	477.10342	"C19494"	"Oxyphenbutazone"	"C19H20N2O3"	"324.1474"	"M+K+CF3COOH"	152.95602
"802211"	170.0579	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M"	0
"987046"	151.03951	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-H2O-H"	-19.01839
"75289"	112.364657333333	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M-3H"	-3.021828
"511569"	169.050624	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M-3H"	-3.021828
"890464"	55.6786906666667	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-3H"	-3.021828
"11225"	169.050624	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M-2H"	-2.014552
"442043"	254.079574	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M-2H"	-2.014552
"818141"	84.021674	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-2H"	-2.014552
"80199"	339.108524	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M-H"	-1.007276
"528150"	509.166424	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M-H"	-1.007276
"899392"	169.050624	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-H"	-1.007276
"60334"	356.135071	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M-2H+NH4"	16.019271
"498801"	526.192971	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M-2H+NH4"	16.019271
"876239"	186.077171	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-2H+NH4"	16.019271
"40130"	361.090466	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M-2H+Na"	20.974666
"474223"	531.148366	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M-2H+Na"	20.974666
"852025"	191.032566	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-2H+Na"	20.974666
"1625932"	191.032566	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Na-2H"	20.974666
"100270"	187.038963	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M-H+Cl"	33.962126
"539831"	272.067913	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M-H+Cl"	33.962126
"930430"	102.010013	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-H+Cl"	33.962126
"267887"	375.085202	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+Cl"	34.969402
"660189"	545.143102	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+Cl"	34.969402
"1273240"	205.027302	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Cl"	34.969402
"16606"	377.064406	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M-2H+K"	36.948606
"457387"	547.122306	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M-2H+K"	36.948606
"834332"	207.006506	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-2H+K"	36.948606
"1556845"	207.006506	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+K-2H"	36.948606
"945466"	215.056094	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-H+HCOOH"	44.998194
"370611"	385.114001	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+HCOOH-H"	44.998201
"355956"	399.129651	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+Hac-H"	59.013851
"1500052"	229.071751	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Hac-H"	59.013851
"964311"	237.038051	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-H+NaCOOH"	66.980151
"115405"	205.027302	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+2Cl"	69.938804
"552776"	290.056252	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+2Cl"	69.938804
"1029595"	119.998352	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2Cl"	69.938804
"1244069"	248.976785	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Br"	78.918885
"1304482"	251.032772	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Cl+HCOOH"	80.974872
"1321826"	273.014729	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Cl+NaCOOH"	102.956829
"915069"	283.043486	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M-H+CF3COOH"	112.985586
"1289953"	319.020164	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Cl+CF3COOH"	148.962264
"1367340"	135.045224	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H-2H2O"	-35.012676
"1384526"	153.0552	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H-H2O"	-17.0027
"283475"	341.123076	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+H"	1.007276
"676264"	511.180976	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+H"	1.007276
"1351433"	171.065176	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H"	1.007276
"127329"	171.065176	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+2H"	2.014552
"567620"	256.094126	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+2H"	2.014552
"1037511"	86.036226	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2H"	2.014552
"204359"	114.379209333333	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+3H"	3.021828
"644969"	171.065176	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+3H"	3.021828
"1164188"	57.6932426666667	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+3H"	3.021828
"425155"	358.149623	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+NH4"	18.033823
"787000"	528.207523	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+NH4"	18.033823
"1682720"	188.091723	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+NH4"	18.033823
"331240"	179.5784495	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+H+NH4"	19.041099
"724397"	264.6073995	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+H+NH4"	19.041099
"1478581"	94.5494995	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H+NH4"	19.041099
"395805"	363.105018	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+Na"	22.989218
"758995"	533.162918	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+Na"	22.989218
"1603689"	193.047118	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Na"	22.989218
"322599"	182.056147	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+H+Na"	23.996494
"712833"	267.085097	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+H+Na"	23.996494
"1474311"	97.027197	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H+Na"	23.996494
"1065378"	65.0205566666667	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2H+Na"	25.00377
"1267057"	203.091386	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+CH3OH+H"	33.033486
"385632"	379.078958	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+K"	38.963158
"746626"	549.136858	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+K"	38.963158
"1549770"	209.021058	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+K"	38.963158
"310228"	190.043117	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+H+K"	39.970434
"702649"	275.072067	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+H+K"	39.970434
"1455376"	105.014167	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H+K"	39.970434
"245071"	382.149626	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+ACN+H"	42.033826
"1218875"	212.091726	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+ACN+H"	42.033826
"1206405"	106.549501	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+ACN+2H"	43.041102
"200006"	385.08696	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+2Na-H"	44.97116
"630092"	555.14486	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+2Na-H"	44.97116
"1134327"	215.02906	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2Na-H"	44.97116
"177617"	193.047118	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+2Na"	45.978436
"616447"	278.076068	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+2Na"	45.978436
"1119587"	108.018168	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2Na"	45.978436
"1403114"	72.3478706666667	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H+2Na"	46.985712
"1434135"	217.070646	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H+HCOOH"	47.012746
"222736"	198.08014	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+3H2O+2H"	56.04448
"1509096"	231.12269	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+IsoProp+H"	61.06479
"409392"	201.034088	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+Na+K"	61.952376
"771479"	286.063038	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+Na+K"	61.952376
"1669997"	116.005138	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Na+K"	61.952376
"255422"	404.131568	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+ACN+Na"	64.015768
"1226304"	234.073668	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+ACN+Na"	64.015768
"1713734"	234.097193	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+NH4+HCOOH"	64.039293
"1179452"	79.6751846666667	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+3Na"	68.967654
"1652629"	239.052588	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Na+HCOOH"	68.994688
"159854"	417.03484	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+2K-H"	76.91904
"599781"	587.09274	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+2K-H"	76.91904
"1089764"	246.97694	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2K-H"	76.91904
"143663"	209.021058	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"2M+2K"	77.926316
"583951"	294.050008	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"3M+2K"	77.926316
"1080503"	123.992108	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2K"	77.926316
"1111528"	248.991492	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2K+H"	78.933592
"1345727"	249.079107	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+DMSO+H"	79.021207
"1013160"	253.118276	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2ACN+H"	83.060376
"1530190"	254.111908	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+IsoProp+Na+H"	84.054008
"996636"	127.062776	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+2ACN+2H"	84.067652
"1590049"	255.026528	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+K+HCOOH"	84.968628
"1420079"	285.058038	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+H+CF3COOH"	115.000138
"1152559"	147.576051	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+3ACN+2H"	125.094202
"1704297"	302.084585	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+NH4+CF3COOH"	132.026685
"1645418"	307.03998	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+Na+CF3COOH"	136.98208
"1579974"	323.01392	"C19495"	"Penicillic acid;3-Methoxy-5-methyl-4-oxo-25-hexadienoic acid"	"C8H10O4"	"170.0579"	"M+K+CF3COOH"	152.95602
"802562"	199.8521	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M"	0
"986063"	180.83371	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-H2O-H"	-19.01839
"75399"	132.227457333333	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M-3H"	-3.021828
"511679"	198.844824	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M-3H"	-3.021828
"890574"	65.6100906666667	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-3H"	-3.021828
"11335"	198.844824	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M-2H"	-2.014552
"441419"	298.770874	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M-2H"	-2.014552
"817885"	98.918774	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-2H"	-2.014552
"79577"	398.696924	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M-H"	-1.007276
"529352"	598.549024	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M-H"	-1.007276
"896945"	198.844824	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-H"	-1.007276
"58255"	415.723471	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M-2H+NH4"	16.019271
"500004"	615.575571	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M-2H+NH4"	16.019271
"871247"	215.871371	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-2H+NH4"	16.019271
"40241"	420.678866	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M-2H+Na"	20.974666
"483078"	620.530966	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M-2H+Na"	20.974666
"857598"	220.826766	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-2H+Na"	20.974666
"1622757"	220.826766	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Na-2H"	20.974666
"95395"	216.833163	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M-H+Cl"	33.962126
"539940"	316.759213	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M-H+Cl"	33.962126
"927863"	116.907113	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-H+Cl"	33.962126
"267874"	434.673602	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+Cl"	34.969402
"660664"	634.525702	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+Cl"	34.969402
"1273914"	234.821502	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Cl"	34.969402
"17442"	436.652806	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M-2H+K"	36.948606
"457854"	636.504906	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M-2H+K"	36.948606
"833468"	236.800706	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-2H+K"	36.948606
"1556348"	236.800706	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+K-2H"	36.948606
"945212"	244.850294	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-H+HCOOH"	44.998194
"370721"	444.702401	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+HCOOH-H"	44.998201
"353512"	458.718051	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+Hac-H"	59.013851
"1501257"	258.865951	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Hac-H"	59.013851
"967704"	266.832251	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-H+NaCOOH"	66.980151
"114421"	234.821502	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+2Cl"	69.938804
"552155"	334.747552	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+2Cl"	69.938804
"1026789"	134.895452	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2Cl"	69.938804
"1242354"	278.770985	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Br"	78.918885
"1304678"	280.826972	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Cl+HCOOH"	80.974872
"1321936"	302.808929	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Cl+NaCOOH"	102.956829
"914085"	312.837686	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M-H+CF3COOH"	112.985586
"1290428"	348.814364	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Cl+CF3COOH"	148.962264
"1367370"	164.839424	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H-2H2O"	-35.012676
"1384269"	182.8494	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H-H2O"	-17.0027
"283951"	400.711476	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+H"	1.007276
"676859"	600.563576	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+H"	1.007276
"1352114"	200.859376	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H"	1.007276
"126950"	200.859376	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+2H"	2.014552
"566756"	300.785426	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+2H"	2.014552
"1038104"	100.933326	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2H"	2.014552
"204789"	134.242009333333	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+3H"	3.021828
"645321"	200.859376	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+3H"	3.021828
"1162873"	67.6246426666667	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+3H"	3.021828
"424650"	417.738023	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+NH4"	18.033823
"786136"	617.590123	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+NH4"	18.033823
"1681858"	217.885923	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+NH4"	18.033823
"330744"	209.3726495	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+H+NH4"	19.041099
"723653"	309.2986995	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+H+NH4"	19.041099
"1478083"	109.4465995	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H+NH4"	19.041099
"393724"	422.693418	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+Na"	22.989218
"757283"	622.545518	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+Na"	22.989218
"1604286"	222.841318	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Na"	22.989218
"319062"	211.850347	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+H+Na"	23.996494
"717319"	311.776397	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+H+Na"	23.996494
"1472235"	111.924297	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H+Na"	23.996494
"1065483"	74.9519566666667	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2H+Na"	25.00377
"1266073"	232.885586	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+CH3OH+H"	33.033486
"386832"	438.667358	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+K"	38.963158
"746736"	638.519458	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+K"	38.963158
"1549881"	238.815258	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+K"	38.963158
"307057"	219.837317	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+H+K"	39.970434
"703851"	319.763367	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+H+K"	39.970434
"1456580"	119.911267	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H+K"	39.970434
"244089"	441.738026	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+ACN+H"	42.033826
"1216798"	241.885926	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+ACN+H"	42.033826
"1205056"	121.446601	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+ACN+2H"	43.041102
"199752"	444.67536	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+2Na-H"	44.97116
"632390"	644.52746	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+2Na-H"	44.97116
"1134437"	244.82326	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2Na-H"	44.97116
"177726"	222.841318	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+2Na"	45.978436
"618744"	322.767368	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+2Na"	45.978436
"1119697"	122.915268	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2Na"	45.978436
"1402495"	82.2792706666667	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H+2Na"	46.985712
"1438618"	246.864846	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H+HCOOH"	47.012746
"220899"	227.87434	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+3H2O+2H"	56.04448
"1509205"	260.91689	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+IsoProp+H"	61.06479
"409014"	230.828288	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+Na+K"	61.952376
"771591"	330.754338	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+Na+K"	61.952376
"1671201"	130.902238	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Na+K"	61.952376
"256624"	463.719968	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+ACN+Na"	64.015768
"1226536"	263.867868	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+ACN+Na"	64.015768
"1713843"	263.891393	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+NH4+HCOOH"	64.039293
"1181749"	89.6065846666667	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+3Na"	68.967654
"1653465"	268.846788	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Na+HCOOH"	68.994688
"161057"	476.62324	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+2K-H"	76.91904
"600984"	676.47534	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+2K-H"	76.91904
"1089874"	276.77114	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2K-H"	76.91904
"144502"	238.815258	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"2M+2K"	77.926316
"583696"	338.741308	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"3M+2K"	77.926316
"1080613"	138.889208	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2K"	77.926316
"1111637"	278.785692	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2K+H"	78.933592
"1345837"	278.873307	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+DMSO+H"	79.021207
"1013270"	282.912476	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2ACN+H"	83.060376
"1530300"	283.906108	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+IsoProp+Na+H"	84.054008
"996746"	141.959876	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+2ACN+2H"	84.067652
"1589430"	284.820728	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+K+HCOOH"	84.968628
"1420189"	314.852238	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+H+CF3COOH"	115.000138
"1153762"	162.473151	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+3ACN+2H"	125.094202
"1701127"	331.878785	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+NH4+CF3COOH"	132.026685
"1645528"	336.83418	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+Na+CF3COOH"	136.98208
"1580084"	352.80812	"C19496"	"Pentachloroethane;11122-Pentachloro-ethane"	"C2HCl5"	"199.8521"	"M+K+CF3COOH"	152.95602
"807171"	252.0939	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M"	0
"986173"	233.07551	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-H2O-H"	-19.01839
"74415"	167.055324	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M-3H"	-3.021828
"517259"	251.086624	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M-3H"	-3.021828
"892874"	83.024024	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-3H"	-3.021828
"12543"	251.086624	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M-2H"	-2.014552
"441166"	377.133574	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M-2H"	-2.014552
"824438"	125.039674	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-2H"	-2.014552
"83336"	503.180524	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M-H"	-1.007276
"529461"	755.274424	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M-H"	-1.007276
"897422"	251.086624	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-H"	-1.007276
"57273"	520.207071	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M-2H+NH4"	16.019271
"498655"	772.300971	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M-2H+NH4"	16.019271
"873543"	268.113171	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-2H+NH4"	16.019271
"41444"	525.162466	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M-2H+Na"	20.974666
"481731"	777.256366	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M-2H+Na"	20.974666
"856615"	273.068566	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-2H+Na"	20.974666
"1623960"	273.068566	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Na-2H"	20.974666
"97208"	269.074963	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M-H+Cl"	33.962126
"540050"	395.121913	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M-H+Cl"	33.962126
"929553"	143.028013	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-H+Cl"	33.962126
"267537"	539.157202	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+Cl"	34.969402
"661621"	791.251102	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+Cl"	34.969402
"1272956"	287.063302	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Cl"	34.969402
"16094"	541.136406	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M-2H+K"	36.948606
"456263"	793.230306	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M-2H+K"	36.948606
"833294"	289.042506	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-2H+K"	36.948606
"1555727"	289.042506	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+K-2H"	36.948606
"943034"	297.092094	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-H+HCOOH"	44.998194
"367551"	549.186001	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+HCOOH-H"	44.998201
"353622"	563.201651	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+Hac-H"	59.013851
"1501365"	311.107751	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Hac-H"	59.013851
"963802"	319.074051	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-H+NaCOOH"	66.980151
"113801"	287.063302	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+2Cl"	69.938804
"551537"	413.110252	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+2Cl"	69.938804
"1025804"	161.016352	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2Cl"	69.938804
"1241858"	331.012785	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Br"	78.918885
"1304207"	333.068772	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Cl+HCOOH"	80.974872
"1322045"	355.050729	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Cl+NaCOOH"	102.956829
"912372"	365.079486	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M-H+CF3COOH"	112.985586
"1288915"	401.056164	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Cl+CF3COOH"	148.962264
"1367440"	217.081224	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H-2H2O"	-35.012676
"1383647"	235.0912	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H-H2O"	-17.0027
"284061"	505.195076	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+H"	1.007276
"675678"	757.288976	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+H"	1.007276
"1351739"	253.101176	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H"	1.007276
"126818"	253.101176	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+2H"	2.014552
"567109"	379.148126	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+2H"	2.014552
"1037854"	127.054226	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2H"	2.014552
"204658"	169.069876	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+3H"	3.021828
"644460"	253.101176	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+3H"	3.021828
"1163431"	85.038576	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+3H"	3.021828
"424638"	522.221623	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+NH4"	18.033823
"786493"	774.315523	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+NH4"	18.033823
"1681731"	270.127723	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+NH4"	18.033823
"331468"	261.6144495	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+H+NH4"	19.041099
"723033"	387.6613995	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+H+NH4"	19.041099
"1477708"	135.5674995	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H+NH4"	19.041099
"393053"	527.177018	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+Na"	22.989218
"758122"	779.270918	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+Na"	22.989218
"1605126"	275.083118	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Na"	22.989218
"319538"	264.092147	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+H+Na"	23.996494
"717429"	390.139097	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+H+Na"	23.996494
"1470159"	138.045197	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H+Na"	23.996494
"1062312"	92.36589	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2H+Na"	25.00377
"1268369"	285.127386	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+CH3OH+H"	33.033486
"388035"	543.150958	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+K"	38.963158
"749032"	795.244858	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+K"	38.963158
"1554363"	291.057058	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+K"	38.963158
"310446"	272.079117	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+H+K"	39.970434
"702868"	398.126067	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+H+K"	39.970434
"1455596"	146.032167	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H+K"	39.970434
"244199"	546.221626	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+ACN+H"	42.033826
"1216908"	294.127726	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+ACN+H"	42.033826
"1205896"	147.567501	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+ACN+2H"	43.041102
"203508"	549.15896	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+2Na-H"	44.97116
"631042"	801.25286	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+2Na-H"	44.97116
"1133818"	297.06506	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2Na-H"	44.97116
"177471"	275.083118	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+2Na"	45.978436
"619583"	401.130068	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+2Na"	45.978436
"1119810"	149.036168	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2Na"	45.978436
"1404427"	99.693204	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H+2Na"	46.985712
"1433262"	299.106646	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H+HCOOH"	47.012746
"224051"	280.11614	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+3H2O+2H"	56.04448
"1512113"	313.15869	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+IsoProp+H"	61.06479
"409975"	283.070088	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+Na+K"	61.952376
"773888"	409.117038	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+Na+K"	61.952376
"1676780"	157.023138	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Na+K"	61.952376
"255643"	568.203568	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+ACN+Na"	64.015768
"1228714"	316.109668	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+ACN+Na"	64.015768
"1715777"	316.133193	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+NH4+HCOOH"	64.039293
"1181496"	107.020518	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+3Na"	68.967654
"1653576"	321.088588	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Na+HCOOH"	68.994688
"159349"	581.10684	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+2K-H"	76.91904
"601098"	833.20074	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+2K-H"	76.91904
"1094360"	329.01294	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2K-H"	76.91904
"146802"	291.057058	"C19497"	"Perylene"	"C20H12"	"252.0939"	"2M+2K"	77.926316
"586363"	417.104008	"C19497"	"Perylene"	"C20H12"	"252.0939"	"3M+2K"	77.926316
"1080724"	165.010108	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2K"	77.926316
"1112840"	331.027492	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2K+H"	78.933592
"1347038"	331.115107	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+DMSO+H"	79.021207
"1014475"	335.154276	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2ACN+H"	83.060376
"1532597"	336.147908	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+IsoProp+Na+H"	84.054008
"1000137"	168.080776	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+2ACN+2H"	84.067652
"1591361"	337.062528	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+K+HCOOH"	84.968628
"1421393"	367.094038	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+H+CF3COOH"	115.000138
"1150592"	188.594051	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+3ACN+2H"	125.094202
"1704517"	384.120585	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+NH4+CF3COOH"	132.026685
"1645638"	389.07598	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+Na+CF3COOH"	136.98208
"1580194"	405.04992	"C19497"	"Perylene"	"C20H12"	"252.0939"	"M+K+CF3COOH"	152.95602
"804000"	151.0746	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M"	0
"985190"	132.05621	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-H2O-H"	-19.01839
"72338"	99.709124	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M-3H"	-3.021828
"517248"	150.067324	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M-3H"	-3.021828
"891893"	49.350924	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-3H"	-3.021828
"11559"	150.067324	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M-2H"	-2.014552
"442006"	225.604624	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M-2H"	-2.014552
"825643"	74.530024	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-2H"	-2.014552
"86728"	301.141924	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M-H"	-1.007276
"526291"	452.216524	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M-H"	-1.007276
"901905"	150.067324	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-H"	-1.007276
"57748"	318.168471	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M-2H+NH4"	16.019271
"496942"	469.243071	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M-2H+NH4"	16.019271
"872560"	167.093871	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-2H+NH4"	16.019271
"40460"	323.123866	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M-2H+Na"	20.974666
"480018"	474.198466	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M-2H+Na"	20.974666
"857818"	172.049266	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-2H+Na"	20.974666
"1625164"	172.049266	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Na-2H"	20.974666
"97318"	168.055663	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M-H+Cl"	33.962126
"540160"	243.592963	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M-H+Cl"	33.962126
"928205"	92.518363	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-H+Cl"	33.962126
"267607"	337.118602	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+Cl"	34.969402
"660102"	488.193202	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+Cl"	34.969402
"1273281"	186.044002	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Cl"	34.969402
"16203"	339.097806	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M-2H+K"	36.948606
"456251"	490.172406	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M-2H+K"	36.948606
"833040"	188.023206	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-2H+K"	36.948606
"1555689"	188.023206	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+K-2H"	36.948606
"942836"	196.072794	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-H+HCOOH"	44.998194
"367661"	347.147401	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+HCOOH-H"	44.998201
"350453"	361.163051	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+Hac-H"	59.013851
"1501475"	210.088451	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Hac-H"	59.013851
"960997"	218.054751	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-H+NaCOOH"	66.980151
"113181"	186.044002	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+2Cl"	69.938804
"552375"	261.581302	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+2Cl"	69.938804
"1025185"	110.506702	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2Cl"	69.938804
"1241847"	229.993485	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Br"	78.918885
"1304291"	232.049472	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Cl+HCOOH"	80.974872
"1321791"	254.031429	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Cl+NaCOOH"	102.956829
"911588"	264.060186	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M-H+CF3COOH"	112.985586
"1288824"	300.036864	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Cl+CF3COOH"	148.962264
"1367834"	116.061924	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H-2H2O"	-35.012676
"1383878"	134.0719	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H-H2O"	-17.0027
"284536"	303.156476	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+H"	1.007276
"675939"	454.231076	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+H"	1.007276
"1351375"	152.081876	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H"	1.007276
"126685"	152.081876	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+2H"	2.014552
"567220"	227.619176	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+2H"	2.014552
"1038936"	76.544576	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2H"	2.014552
"204404"	101.723676	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+3H"	3.021828
"644326"	152.081876	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+3H"	3.021828
"1164152"	51.365476	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+3H"	3.021828
"425601"	320.183023	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+NH4"	18.033823
"786481"	471.257623	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+NH4"	18.033823
"1682326"	169.108423	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+NH4"	18.033823
"331213"	160.5951495	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+H+NH4"	19.041099
"722845"	236.1324495	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+H+NH4"	19.041099
"1477080"	85.0578495	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H+NH4"	19.041099
"393133"	325.138418	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+Na"	22.989218
"759325"	476.213018	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+Na"	22.989218
"1605236"	174.063818	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Na"	22.989218
"319648"	163.072847	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+H+Na"	23.996494
"709882"	238.610147	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+H+Na"	23.996494
"1469172"	87.535547	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H+Na"	23.996494
"1062419"	58.69279	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2H+Na"	25.00377
"1266292"	184.108086	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+CH3OH+H"	33.033486
"384868"	341.112358	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+K"	38.963158
"748049"	492.186958	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+K"	38.963158
"1550102"	190.037758	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+K"	38.963158
"307277"	171.059817	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+H+K"	39.970434
"702979"	246.597117	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+H+K"	39.970434
"1455706"	95.522517	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H+K"	39.970434
"245404"	344.183026	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+ACN+H"	42.033826
"1217019"	193.108426	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+ACN+H"	42.033826
"1206007"	97.057851	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+ACN+2H"	43.041102
"201432"	347.12036	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+2Na-H"	44.97116
"630421"	498.19496	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+2Na-H"	44.97116
"1134293"	196.04576	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2Na-H"	44.97116
"178673"	174.063818	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+2Na"	45.978436
"620055"	249.601118	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+2Na"	45.978436
"1119552"	98.526518	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2Na"	45.978436
"1403075"	66.020104	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H+2Na"	46.985712
"1433734"	198.087346	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H+HCOOH"	47.012746
"222701"	179.09684	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+3H2O+2H"	56.04448
"1510034"	212.13939	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+IsoProp+H"	61.06479
"409720"	182.050788	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+Na+K"	61.952376
"771080"	257.588088	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+Na+K"	61.952376
"1671422"	106.513488	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Na+K"	61.952376
"254295"	366.164968	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+ACN+Na"	64.015768
"1226273"	215.090368	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+ACN+Na"	64.015768
"1717352"	215.113893	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+NH4+HCOOH"	64.039293
"1181245"	73.347418	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+3Na"	68.967654
"1652234"	220.069288	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Na+HCOOH"	68.994688
"159823"	379.06824	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+2K-H"	76.91904
"600115"	530.14284	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+2K-H"	76.91904
"1090095"	227.99364	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2K-H"	76.91904
"149099"	190.037758	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"2M+2K"	77.926316
"586473"	265.575058	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"3M+2K"	77.926316
"1080833"	114.500458	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2K"	77.926316
"1110763"	230.008192	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2K+H"	78.933592
"1348241"	230.095807	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+DMSO+H"	79.021207
"1014585"	234.134976	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2ACN+H"	83.060376
"1532708"	235.128608	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+IsoProp+Na+H"	84.054008
"1001340"	117.571126	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+2ACN+2H"	84.067652
"1595844"	236.043228	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+K+HCOOH"	84.968628
"1423693"	266.074738	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+H+CF3COOH"	115.000138
"1153982"	138.084401	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+3ACN+2H"	125.094202
"1699523"	283.101285	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+NH4+CF3COOH"	132.026685
"1639184"	288.05668	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+Na+CF3COOH"	136.98208
"1577024"	304.03062	"C19498"	"Phenicarbazide"	"C7H9N3O"	"151.0746"	"M+K+CF3COOH"	152.95602
"801676"	108.0687	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M"	0
"980925"	89.05031	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-H2O-H"	-19.01839
"72448"	71.038524	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M-3H"	-3.021828
"514197"	107.061424	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M-3H"	-3.021828
"894067"	35.015624	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-3H"	-3.021828
"10576"	107.061424	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M-2H"	-2.014552
"442481"	161.095774	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M-2H"	-2.014552
"821379"	53.027074	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-2H"	-2.014552
"86838"	215.130124	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M-H"	-1.007276
"518655"	323.198824	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M-H"	-1.007276
"896666"	107.061424	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-H"	-1.007276
"58587"	232.156671	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M-2H+NH4"	16.019271
"496688"	340.225371	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M-2H+NH4"	16.019271
"871575"	124.087971	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-2H+NH4"	16.019271
"39474"	237.112066	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M-2H+Na"	20.974666
"481220"	345.180766	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M-2H+Na"	20.974666
"856834"	129.043366	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-2H+Na"	20.974666
"1625274"	129.043366	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Na-2H"	20.974666
"98521"	125.049763	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M-H+Cl"	33.962126
"536990"	179.084113	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M-H+Cl"	33.962126
"928193"	71.015413	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-H+Cl"	33.962126
"267230"	251.106802	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+Cl"	34.969402
"660019"	359.175502	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+Cl"	34.969402
"1272859"	143.038102	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Cl"	34.969402
"15733"	253.086006	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M-2H+K"	36.948606
"455714"	361.154706	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M-2H+K"	36.948606
"832796"	145.017306	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-2H+K"	36.948606
"1555904"	145.017306	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+K-2H"	36.948606
"943100"	153.066894	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-H+HCOOH"	44.998194
"364490"	261.135601	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+HCOOH-H"	44.998201
"348011"	275.151251	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+Hac-H"	59.013851
"1495024"	167.082551	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Hac-H"	59.013851
"959644"	175.048851	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-H+NaCOOH"	66.980151
"110003"	143.038102	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+2Cl"	69.938804
"549963"	197.072452	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+2Cl"	69.938804
"1022051"	89.003752	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2Cl"	69.938804
"1242685"	186.987585	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Br"	78.918885
"1304554"	189.043572	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Cl+HCOOH"	80.974872
"1319987"	211.025529	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Cl+NaCOOH"	102.956829
"911614"	221.054286	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M-H+CF3COOH"	112.985586
"1288490"	257.030964	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Cl+CF3COOH"	148.962264
"1367331"	73.056024	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H-2H2O"	-35.012676
"1383134"	91.066	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H-H2O"	-17.0027
"283308"	217.144676	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+H"	1.007276
"676126"	325.213376	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+H"	1.007276
"1352082"	109.075976	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H"	1.007276
"126675"	109.075976	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+2H"	2.014552
"568788"	163.110326	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+2H"	2.014552
"1039047"	55.041626	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2H"	2.014552
"205365"	73.053076	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+3H"	3.021828
"644925"	109.075976	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+3H"	3.021828
"1164988"	37.030176	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+3H"	3.021828
"426439"	234.171223	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+NH4"	18.033823
"786227"	342.239923	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+NH4"	18.033823
"1682678"	126.102523	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+NH4"	18.033823
"332418"	117.5892495	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+H+NH4"	19.041099
"723495"	171.6235995	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+H+NH4"	19.041099
"1477560"	63.5548995	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H+NH4"	19.041099
"393449"	239.126618	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+Na"	22.989218
"755783"	347.195318	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+Na"	22.989218
"1602906"	131.057918	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Na"	22.989218
"315382"	120.066947	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+H+Na"	23.996494
"709626"	174.101297	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+H+Na"	23.996494
"1469282"	66.032597	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H+Na"	23.996494
"1061436"	44.35749	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2H+Na"	25.00377
"1264212"	141.102186	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+CH3OH+H"	33.033486
"384974"	255.100558	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+K"	38.963158
"744876"	363.169258	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+K"	38.963158
"1548022"	147.031858	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+K"	38.963158
"305198"	128.053917	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+H+K"	39.970434
"699807"	182.088267	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+H+K"	39.970434
"1454723"	74.019567	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H+K"	39.970434
"242233"	258.171226	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+ACN+H"	42.033826
"1213848"	150.102526	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+ACN+H"	42.033826
"1202108"	75.554901	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+ACN+2H"	43.041102
"193888"	261.10856	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+2Na-H"	44.97116
"634541"	369.17726	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+2Na-H"	44.97116
"1131482"	153.03986	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2Na-H"	44.97116
"174043"	131.057918	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+2Na"	45.978436
"617248"	185.092268	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+2Na"	45.978436
"1116258"	77.023568	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2Na"	45.978436
"1399173"	51.684804	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H+2Na"	46.985712
"1430023"	155.081446	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H+HCOOH"	47.012746
"220413"	136.09094	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+3H2O+2H"	56.04448
"1509052"	169.13349	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+IsoProp+H"	61.06479
"409219"	139.044888	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+Na+K"	61.952376
"770581"	193.079238	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+Na+K"	61.952376
"1666426"	85.010538	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Na+K"	61.952376
"252580"	280.153168	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+ACN+Na"	64.015768
"1226218"	172.084468	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+ACN+Na"	64.015768
"1713684"	172.107993	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+NH4+HCOOH"	64.039293
"1179162"	59.012118	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+3Na"	68.967654
"1651117"	177.063388	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Na+HCOOH"	68.994688
"158099"	293.05644	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+2K-H"	76.91904
"600215"	401.12514	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+2K-H"	76.91904
"1085822"	184.98774	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2K-H"	76.91904
"145192"	147.031858	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"2M+2K"	77.926316
"583662"	201.066208	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"3M+2K"	77.926316
"1080942"	92.997508	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2K"	77.926316
"1111966"	187.002292	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2K+H"	78.933592
"1347258"	187.089907	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+DMSO+H"	79.021207
"1014695"	191.129076	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2ACN+H"	83.060376
"1531723"	192.122708	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+IsoProp+Na+H"	84.054008
"1000356"	96.068176	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+2ACN+2H"	84.067652
"1595954"	193.037328	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+K+HCOOH"	84.968628
"1417243"	223.068838	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+H+CF3COOH"	115.000138
"1154092"	116.581451	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+3ACN+2H"	125.094202
"1699633"	240.095385	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+NH4+CF3COOH"	132.026685
"1637107"	245.05078	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+Na+CF3COOH"	136.98208
"1577134"	261.02472	"C19499"	"para-Phenylenediamine;14-Benzenediamine"	"C6H8N2"	"108.0687"	"M+K+CF3COOH"	152.95602
"806406"	278.1096	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M"	0
"982128"	259.09121	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-H2O-H"	-19.01839
"73651"	184.399124	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M-3H"	-3.021828
"517222"	277.102324	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M-3H"	-3.021828
"894298"	91.695924	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-3H"	-3.021828
"13965"	277.102324	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M-2H"	-2.014552
"443684"	416.157124	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M-2H"	-2.014552
"821853"	138.047524	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-2H"	-2.014552
"86948"	555.211924	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M-H"	-1.007276
"519335"	833.321524	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M-H"	-1.007276
"896533"	277.102324	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-H"	-1.007276
"55054"	572.238471	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M-2H+NH4"	16.019271
"496069"	850.348071	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M-2H+NH4"	16.019271
"870957"	294.128871	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-2H+NH4"	16.019271
"38491"	577.193866	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M-2H+Na"	20.974666
"479144"	855.303466	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M-2H+Na"	20.974666
"856944"	299.084266	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-2H+Na"	20.974666
"1625384"	299.084266	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Na-2H"	20.974666
"99724"	295.090663	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M-H+Cl"	33.962126
"538192"	434.145463	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M-H+Cl"	33.962126
"927571"	156.035863	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-H+Cl"	33.962126
"267826"	591.188602	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+Cl"	34.969402
"660162"	869.298202	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+Cl"	34.969402
"1272834"	313.079002	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Cl"	34.969402
"16057"	593.167806	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M-2H+K"	36.948606
"455983"	871.277406	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M-2H+K"	36.948606
"833096"	315.058206	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-2H+K"	36.948606
"1556302"	315.058206	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+K-2H"	36.948606
"943332"	323.107794	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-H+HCOOH"	44.998194
"364235"	601.217401	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+HCOOH-H"	44.998201
"347385"	615.233051	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+Hac-H"	59.013851
"1493670"	337.123451	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Hac-H"	59.013851
"959024"	345.089751	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-H+NaCOOH"	66.980151
"111208"	313.079002	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+2Cl"	69.938804
"550043"	452.133802	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+2Cl"	69.938804
"1021676"	174.024202	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2Cl"	69.938804
"1241740"	357.028485	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Br"	78.918885
"1304264"	359.084472	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Cl+HCOOH"	80.974872
"1320059"	381.066429	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Cl+NaCOOH"	102.956829
"911602"	391.095186	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M-H+CF3COOH"	112.985586
"1289166"	427.071864	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Cl+CF3COOH"	148.962264
"1367323"	243.096924	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H-2H2O"	-35.012676
"1384585"	261.1069	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H-H2O"	-17.0027
"283297"	557.226476	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+H"	1.007276
"675690"	835.336076	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+H"	1.007276
"1353532"	279.116876	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H"	1.007276
"126418"	279.116876	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+2H"	2.014552
"568898"	418.171676	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+2H"	2.014552
"1037326"	140.062076	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2H"	2.014552
"204458"	186.413676	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+3H"	3.021828
"644910"	279.116876	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+3H"	3.021828
"1163157"	93.710476	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+3H"	3.021828
"424612"	574.253023	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+NH4"	18.033823
"786208"	852.362623	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+NH4"	18.033823
"1684249"	296.143423	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+NH4"	18.033823
"330292"	287.6301495	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+H+NH4"	19.041099
"723245"	426.6849495	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+H+NH4"	19.041099
"1477673"	148.5753495	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H+NH4"	19.041099
"393556"	579.208418	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+Na"	22.989218
"755284"	857.318018	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+Na"	22.989218
"1603505"	301.098818	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Na"	22.989218
"317681"	290.107847	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+H+Na"	23.996494
"712289"	429.162647	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+H+Na"	23.996494
"1470488"	151.053047	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H+Na"	23.996494
"1061547"	101.03779	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2H+Na"	25.00377
"1267603"	311.143086	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+CH3OH+H"	33.033486
"388364"	595.182358	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+K"	38.963158
"746079"	873.291958	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+K"	38.963158
"1548132"	317.072758	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+K"	38.963158
"308588"	298.094817	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+H+K"	39.970434
"703198"	437.149617	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+H+K"	39.970434
"1449367"	159.040017	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H+K"	39.970434
"237965"	598.253026	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+ACN+H"	42.033826
"1215053"	320.143426	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+ACN+H"	42.033826
"1203312"	160.575351	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+ACN+2H"	43.041102
"197277"	601.19036	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+2Na-H"	44.97116
"639025"	879.29996	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+2Na-H"	44.97116
"1131713"	323.08076	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2Na-H"	44.97116
"174881"	301.098818	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+2Na"	45.978436
"616630"	440.153618	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+2Na"	45.978436
"1116853"	162.044018	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2Na"	45.978436
"1400378"	108.365104	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H+2Na"	46.985712
"1437233"	325.122346	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H+HCOOH"	47.012746
"220484"	306.13184	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+3H2O+2H"	56.04448
"1509161"	339.17439	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+IsoProp+H"	61.06479
"408655"	309.085788	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+Na+K"	61.952376
"769977"	448.140588	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+Na+K"	61.952376
"1665667"	170.030988	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Na+K"	61.952376
"251839"	620.234968	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+ACN+Na"	64.015768
"1225673"	342.125368	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+ACN+Na"	64.015768
"1713098"	342.148893	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+NH4+HCOOH"	64.039293
"1178587"	115.692418	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+3Na"	68.967654
"1650293"	347.104288	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Na+HCOOH"	68.994688
"157722"	633.13824	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+2K-H"	76.91904
"597173"	911.24784	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+2K-H"	76.91904
"1084471"	355.02864	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2K-H"	76.91904
"144936"	317.072758	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"2M+2K"	77.926316
"583407"	456.127558	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"3M+2K"	77.926316
"1079958"	178.017958	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2K"	77.926316
"1110983"	357.043192	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2K+H"	78.933592
"1348460"	357.130807	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+DMSO+H"	79.021207
"1013711"	361.169976	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2ACN+H"	83.060376
"1530740"	362.163608	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+IsoProp+Na+H"	84.054008
"994999"	181.088626	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+2ACN+2H"	84.067652
"1593876"	363.078228	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+K+HCOOH"	84.968628
"1414922"	393.109738	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+H+CF3COOH"	115.000138
"1148006"	201.601901	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+3ACN+2H"	125.094202
"1700472"	410.136285	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+NH4+CF3COOH"	132.026685
"1637217"	415.09168	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+Na+CF3COOH"	136.98208
"1573964"	431.06562	"C19500"	"Picene;Benzoachrysene"	"C22H14"	"278.1096"	"M+K+CF3COOH"	152.95602
"810901"	480.0038	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M"	0
"981154"	460.98541	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-H2O-H"	-19.01839
"69400"	318.995257333333	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M-3H"	-3.021828
"507868"	478.996524	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M-3H"	-3.021828
"885669"	158.993990666667	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-3H"	-3.021828
"4244"	478.996524	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H"	-2.014552
"443804"	718.998424	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H"	-2.014552
"820511"	238.994624	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-2H"	-2.014552
"81597"	959.000324	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M-H"	-1.007276
"527721"	1439.004124	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M-H"	-1.007276
"907714"	478.996524	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-H"	-1.007276
"57713"	976.026871	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H+NH4"	16.019271
"500918"	1456.030671	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H+NH4"	16.019271
"875073"	496.023071	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-2H+NH4"	16.019271
"41880"	980.982266	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H+Na"	20.974666
"482533"	1460.986066	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H+Na"	20.974666
"860335"	500.978466	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-2H+Na"	20.974666
"1627681"	500.978466	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Na-2H"	20.974666
"95215"	496.984863	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M-H+Cl"	33.962126
"535023"	736.986763	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M-H+Cl"	33.962126
"927560"	256.982963	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-H+Cl"	33.962126
"270746"	994.977002	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+Cl"	34.969402
"661709"	1474.980802	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+Cl"	34.969402
"1273503"	514.973202	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl"	34.969402
"16661"	996.956206	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M-2H+K"	36.948606
"456709"	1476.960006	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M-2H+K"	36.948606
"833420"	516.952406	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-2H+K"	36.948606
"1556422"	516.952406	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+K-2H"	36.948606
"944670"	525.001994	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-H+HCOOH"	44.998194
"362035"	1005.005801	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+HCOOH-H"	44.998201
"346890"	1019.021451	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+Hac-H"	59.013851
"1495968"	539.017651	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Hac-H"	59.013851
"961321"	546.983951	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-H+NaCOOH"	66.980151
"111323"	514.973202	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+2Cl"	69.938804
"553798"	754.975102	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+2Cl"	69.938804
"1023328"	274.971302	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2Cl"	69.938804
"1243637"	558.922685	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Br"	78.918885
"1309739"	560.978672	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl+HCOOH"	80.974872
"1329422"	582.960629	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl+NaCOOH"	102.956829
"924856"	592.989386	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M-H+CF3COOH"	112.985586
"1304079"	628.966064	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Cl+CF3COOH"	148.962264
"1378631"	444.991124	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H-2H2O"	-35.012676
"1396127"	463.0011	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H-H2O"	-17.0027
"298480"	961.014876	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+H"	1.007276
"683862"	1441.018676	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+H"	1.007276
"1355832"	481.011076	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H"	1.007276
"127629"	481.011076	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+2H"	2.014552
"565969"	721.012976	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+2H"	2.014552
"1037321"	241.009176	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2H"	2.014552
"205710"	321.009809333333	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+3H"	3.021828
"644264"	481.011076	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+3H"	3.021828
"1163069"	161.008542666667	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+3H"	3.021828
"424257"	978.041423	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+NH4"	18.033823
"788399"	1458.045223	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+NH4"	18.033823
"1694942"	498.037623	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+NH4"	18.033823
"341396"	489.5243495	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+H+NH4"	19.041099
"734913"	729.5262495	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+H+NH4"	19.041099
"1490924"	249.5224495	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H+NH4"	19.041099
"405232"	982.996818	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+Na"	22.989218
"765133"	1463.000618	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+Na"	22.989218
"1613232"	502.993018	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Na"	22.989218
"322174"	492.002047	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+H+Na"	23.996494
"716783"	732.003947	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+H+Na"	23.996494
"1469513"	252.000147	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H+Na"	23.996494
"1062759"	168.335856666667	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2H+Na"	25.00377
"1267720"	513.037286	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+CH3OH+H"	33.033486
"385201"	998.970758	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+K"	38.963158
"746198"	1478.974558	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+K"	38.963158
"1548250"	518.966958	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+K"	38.963158
"306519"	499.989017	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+H+K"	39.970434
"695660"	739.990917	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+H+K"	39.970434
"1448388"	259.987117	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H+K"	39.970434
"236865"	1002.041426	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+ACN+H"	42.033826
"1211883"	522.037626	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+ACN+H"	42.033826
"1199777"	261.522451	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+ACN+2H"	43.041102
"193742"	1004.97876	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+2Na-H"	44.97116
"636217"	1484.98256	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+2Na-H"	44.97116
"1137537"	524.97496	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2Na-H"	44.97116
"179733"	502.993018	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+2Na"	45.978436
"616740"	742.994918	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+2Na"	45.978436
"1118062"	262.991118	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2Na"	45.978436
"1404136"	175.663170666667	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H+2Na"	46.985712
"1439166"	527.016546	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H+HCOOH"	47.012746
"225583"	508.02604	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+3H2O+2H"	56.04448
"1511457"	541.06859	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+IsoProp+H"	61.06479
"410777"	510.979988	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+Na+K"	61.952376
"772137"	750.981888	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+Na+K"	61.952376
"1666273"	270.978088	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Na+K"	61.952376
"251700"	1024.023368	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+ACN+Na"	64.015768
"1228804"	544.019568	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+ACN+Na"	64.015768
"1719877"	544.043093	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+NH4+HCOOH"	64.039293
"1180858"	182.990484666667	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+3Na"	68.967654
"1651599"	548.998488	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Na+HCOOH"	68.994688
"168186"	1036.92664	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+2K-H"	76.91904
"605921"	1516.93044	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+2K-H"	76.91904
"1093712"	556.92284	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2K-H"	76.91904
"148343"	518.966958	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"2M+2K"	77.926316
"588996"	758.968858	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"3M+2K"	77.926316
"1081166"	278.965058	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2K"	77.926316
"1108906"	558.937392	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2K+H"	78.933592
"1346385"	559.025007	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+DMSO+H"	79.021207
"1016007"	563.064176	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2ACN+H"	83.060376
"1529761"	564.057808	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+IsoProp+Na+H"	84.054008
"996209"	282.035726	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+2ACN+2H"	84.067652
"1595087"	564.972428	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+K+HCOOH"	84.968628
"1422933"	595.003938	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+H+CF3COOH"	115.000138
"1151039"	302.549001	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+3ACN+2H"	125.094202
"1697790"	612.030485	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+NH4+CF3COOH"	132.026685
"1634537"	616.98588	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+Na+CF3COOH"	136.98208
"1572259"	632.95982	"C19510"	"Ponceau SX;CI 14700"	"C18H14N2O7S22Na"	"480.0038"	"M+K+CF3COOH"	152.95602
"811011"	218.979	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M"	0
"981263"	199.96061	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-H2O-H"	-19.01839
"70603"	144.978724	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M-3H"	-3.021828
"506519"	217.971724	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M-3H"	-3.021828
"882862"	71.985724	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-3H"	-3.021828
"4354"	217.971724	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M-2H"	-2.014552
"442821"	327.461224	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M-2H"	-2.014552
"819528"	108.482224	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-2H"	-2.014552
"86081"	436.950724	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M-H"	-1.007276
"525643"	655.929724	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M-H"	-1.007276
"906731"	217.971724	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-H"	-1.007276
"57822"	453.977271	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M-2H+NH4"	16.019271
"496287"	672.956271	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M-2H+NH4"	16.019271
"876276"	234.998271	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-2H+NH4"	16.019271
"44177"	458.932666	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M-2H+Na"	20.974666
"482643"	677.911666	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M-2H+Na"	20.974666
"862632"	239.953666	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-2H+Na"	20.974666
"1627791"	239.953666	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Na-2H"	20.974666
"96300"	235.960063	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M-H+Cl"	33.962126
"535133"	345.449563	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M-H+Cl"	33.962126
"928160"	126.470563	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-H+Cl"	33.962126
"270128"	472.927402	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+Cl"	34.969402
"662183"	691.906402	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+Cl"	34.969402
"1273855"	253.948402	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Cl"	34.969402
"18232"	474.906606	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M-2H+K"	36.948606
"457061"	693.885606	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M-2H+K"	36.948606
"833530"	255.927606	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-2H+K"	36.948606
"1556287"	255.927606	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+K-2H"	36.948606
"943566"	263.977194	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-H+HCOOH"	44.998194
"361904"	482.956201	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+HCOOH-H"	44.998201
"345802"	496.971851	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+Hac-H"	59.013851
"1494622"	277.992851	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Hac-H"	59.013851
"959975"	285.959151	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-H+NaCOOH"	66.980151
"110215"	253.948402	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+2Cl"	69.938804
"552090"	363.437902	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+2Cl"	69.938804
"1023072"	144.458902	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2Cl"	69.938804
"1242650"	297.897885	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Br"	78.918885
"1304535"	299.953872	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Cl+HCOOH"	80.974872
"1321876"	321.935829	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Cl+NaCOOH"	102.956829
"911491"	331.964586	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M-H+CF3COOH"	112.985586
"1288913"	367.941264	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Cl+CF3COOH"	148.962264
"1369626"	183.966324	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H-2H2O"	-35.012676
"1389676"	201.9763	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H-H2O"	-17.0027
"292643"	438.965276	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+H"	1.007276
"676031"	657.944276	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+H"	1.007276
"1352662"	219.986276	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H"	1.007276
"125790"	219.986276	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+2H"	2.014552
"565987"	329.475776	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+2H"	2.014552
"1037259"	110.496776	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2H"	2.014552
"204475"	146.993276	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+3H"	3.021828
"644640"	219.986276	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+3H"	3.021828
"1163005"	74.000276	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+3H"	3.021828
"424322"	455.991823	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+NH4"	18.033823
"788873"	674.970823	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+NH4"	18.033823
"1695052"	237.012823	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+NH4"	18.033823
"341142"	228.4995495	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+H+NH4"	19.041099
"735387"	337.9890495	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+H+NH4"	19.041099
"1488845"	119.0100495	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H+NH4"	19.041099
"404247"	460.947218	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+Na"	22.989218
"764150"	679.926218	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+Na"	22.989218
"1611155"	241.968218	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Na"	22.989218
"327752"	230.977247	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+H+Na"	23.996494
"716893"	340.466747	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+H+Na"	23.996494
"1469621"	121.487747	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H+Na"	23.996494
"1060682"	81.32759	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2H+Na"	25.00377
"1267830"	252.012486	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+CH3OH+H"	33.033486
"383124"	476.921158	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+K"	38.963158
"744121"	695.900158	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+K"	38.963158
"1547265"	257.942158	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+K"	38.963158
"305536"	238.964217	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+H+K"	39.970434
"695770"	348.453717	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+H+K"	39.970434
"1448498"	129.474717	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H+K"	39.970434
"237098"	479.991826	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+ACN+H"	42.033826
"1211628"	261.012826	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+ACN+H"	42.033826
"1201346"	131.010051	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+ACN+2H"	43.041102
"193853"	482.92916	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+2Na-H"	44.97116
"639244"	701.90816	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+2Na-H"	44.97116
"1138741"	263.95016	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2Na-H"	44.97116
"179478"	241.968218	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+2Na"	45.978436
"615393"	351.457718	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+2Na"	45.978436
"1119995"	132.478718	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2Na"	45.978436
"1403882"	88.654904	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H+2Na"	46.985712
"1438183"	265.991746	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H+HCOOH"	47.012746
"224600"	247.00124	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+3H2O+2H"	56.04448
"1511566"	280.04379	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+IsoProp+H"	61.06479
"410887"	249.955188	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+Na+K"	61.952376
"772247"	359.444688	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+Na+K"	61.952376
"1665814"	140.465688	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Na+K"	61.952376
"251523"	501.973768	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+ACN+Na"	64.015768
"1229642"	282.994768	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+ACN+Na"	64.015768
"1719987"	283.018293	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+NH4+HCOOH"	64.039293
"1182060"	95.982218	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+3Na"	68.967654
"1654870"	287.973688	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Na+HCOOH"	68.994688
"168659"	514.87704	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+2K-H"	76.91904
"606030"	733.85604	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+2K-H"	76.91904
"1090906"	295.89804	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2K-H"	76.91904
"148452"	257.942158	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"2M+2K"	77.926316
"589106"	367.431658	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"3M+2K"	77.926316
"1080910"	148.452658	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2K"	77.926316
"1109016"	297.912592	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2K+H"	78.933592
"1346495"	298.000207	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+DMSO+H"	79.021207
"1015023"	302.039376	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2ACN+H"	83.060376
"1529871"	303.033008	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+IsoProp+Na+H"	84.054008
"995225"	151.523326	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+2ACN+2H"	84.067652
"1591916"	303.947628	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+K+HCOOH"	84.968628
"1417576"	333.979138	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+H+CF3COOH"	115.000138
"1151149"	172.036601	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+3ACN+2H"	125.094202
"1697781"	351.005685	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+NH4+CF3COOH"	132.026685
"1635011"	355.96108	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+Na+CF3COOH"	136.98208
"1574192"	371.93502	"C19511"	"Potassium bis(2-hydroxyethyl)dithiocarbamate;Bis(2-hydroxyethyl)dithiocarbamic acid potassium salt"	"C5H10NO2S2K"	"218.979"	"M+K+CF3COOH"	152.95602
"811121"	645.2624	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M"	0
"984653"	626.24401	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-H2O-H"	-19.01839
"69620"	429.167657333333	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M-3H"	-3.021828
"506995"	644.255124	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M-3H"	-3.021828
"882608"	214.080190666667	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-3H"	-3.021828
"5558"	644.255124	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M-2H"	-2.014552
"445118"	966.886324	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M-2H"	-2.014552
"822919"	321.623924	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-2H"	-2.014552
"86191"	1289.517524	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M-H"	-1.007276
"525753"	1934.779924	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M-H"	-1.007276
"907934"	644.255124	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-H"	-1.007276
"57934"	1306.544071	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M-2H+NH4"	16.019271
"498584"	1951.806471	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M-2H+NH4"	16.019271
"878575"	661.281671	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-2H+NH4"	16.019271
"45380"	1311.499466	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M-2H+Na"	20.974666
"480566"	1956.761866	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M-2H+Na"	20.974666
"861649"	666.237066	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-2H+Na"	20.974666
"1626808"	666.237066	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Na-2H"	20.974666
"94954"	662.243463	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M-H+Cl"	33.962126
"534633"	984.874663	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M-H+Cl"	33.962126
"927664"	339.612263	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-H+Cl"	33.962126
"270602"	1325.494202	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+Cl"	34.969402
"662294"	1970.756602	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+Cl"	34.969402
"1275057"	680.231802	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Cl"	34.969402
"19071"	1327.473406	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M-2H+K"	36.948606
"457172"	1972.735806	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M-2H+K"	36.948606
"834244"	682.211006	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-2H+K"	36.948606
"1556641"	682.211006	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+K-2H"	36.948606
"943434"	690.260594	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-H+HCOOH"	44.998194
"363108"	1335.523001	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+HCOOH-H"	44.998201
"346628"	1349.538651	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+Hac-H"	59.013851
"1497648"	704.276251	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Hac-H"	59.013851
"965190"	712.242551	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-H+NaCOOH"	66.980151
"110692"	680.231802	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+2Cl"	69.938804
"553659"	1002.863002	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+2Cl"	69.938804
"1022820"	357.600602	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2Cl"	69.938804
"1243130"	724.181285	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Br"	78.918885
"1304403"	726.237272	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Cl+HCOOH"	80.974872
"1322715"	748.219229	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Cl+NaCOOH"	102.956829
"911697"	758.247986	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M-H+CF3COOH"	112.985586
"1289103"	794.224664	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Cl+CF3COOH"	148.962264
"1367305"	610.249724	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H-2H2O"	-35.012676
"1383224"	628.2597	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H-H2O"	-17.0027
"287285"	1291.532076	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+H"	1.007276
"676059"	1936.794476	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+H"	1.007276
"1352042"	646.269676	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H"	1.007276
"125898"	646.269676	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+2H"	2.014552
"566062"	968.900876	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+2H"	2.014552
"1037654"	323.638476	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2H"	2.014552
"204950"	431.182209333333	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+3H"	3.021828
"644870"	646.269676	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+3H"	3.021828
"1163120"	216.094742666667	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+3H"	3.021828
"424812"	1308.558623	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+NH4"	18.033823
"790441"	1953.821023	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+NH4"	18.033823
"1695526"	663.296223	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+NH4"	18.033823
"341616"	654.7829495	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+H+NH4"	19.041099
"735497"	977.4141495	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+H+NH4"	19.041099
"1486767"	332.1517495	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H+NH4"	19.041099
"403261"	1313.514018	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+Na"	22.989218
"758790"	1958.776418	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+Na"	22.989218
"1610170"	668.251618	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Na"	22.989218
"322393"	657.260647	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+H+Na"	23.996494
"721379"	979.891847	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+H+Na"	23.996494
"1467543"	334.629447	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H+Na"	23.996494
"1064072"	223.422056666667	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2H+Na"	25.00377
"1265750"	678.295886	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+CH3OH+H"	33.033486
"386514"	1329.487958	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+K"	38.963158
"745319"	1974.750358	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+K"	38.963158
"1549561"	684.225558	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+K"	38.963158
"304552"	665.247617	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+H+K"	39.970434
"693691"	987.878817	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+H+K"	39.970434
"1446420"	342.616417	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H+K"	39.970434
"238303"	1332.558626	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+ACN+H"	42.033826
"1216478"	687.296226	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+ACN+H"	42.033826
"1202550"	344.151751	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+ACN+2H"	43.041102
"195422"	1335.49596	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+2Na-H"	44.97116
"638261"	1980.75836	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+2Na-H"	44.97116
"1132044"	690.23356	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2Na-H"	44.97116
"179954"	668.251618	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+2Na"	45.978436
"613393"	990.882818	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+2Na"	45.978436
"1120473"	345.620418	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2Na"	45.978436
"1406180"	230.749370666667	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H+2Na"	46.985712
"1435376"	692.275146	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H+HCOOH"	47.012746
"226896"	673.28464	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+3H2O+2H"	56.04448
"1512771"	706.32719	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+IsoProp+H"	61.06479
"409904"	676.238588	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+Na+K"	61.952376
"772357"	998.869788	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+Na+K"	61.952376
"1665581"	353.607388	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Na+K"	61.952376
"251423"	1354.540568	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+ACN+Na"	64.015768
"1229752"	709.278168	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+ACN+Na"	64.015768
"1719367"	709.301693	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+NH4+HCOOH"	64.039293
"1182170"	238.076684666667	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+3Na"	68.967654
"1655343"	714.257088	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Na+HCOOH"	68.994688
"168405"	1367.44384	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+2K-H"	76.91904
"605047"	2012.70624	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+2K-H"	76.91904
"1091016"	722.18144	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2K-H"	76.91904
"148562"	684.225558	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"2M+2K"	77.926316
"585935"	1006.856758	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"3M+2K"	77.926316
"1075916"	361.594358	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2K"	77.926316
"1109126"	724.195992	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2K+H"	78.933592
"1344419"	724.283607	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+DMSO+H"	79.021207
"1014041"	728.322776	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2ACN+H"	83.060376
"1529977"	729.316408	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+IsoProp+Na+H"	84.054008
"996426"	364.665026	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+2ACN+2H"	84.067652
"1592024"	730.231028	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+K+HCOOH"	84.968628
"1418779"	760.262538	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+H+CF3COOH"	115.000138
"1149433"	385.178301	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+3ACN+2H"	125.094202
"1698619"	777.289085	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+NH4+CF3COOH"	132.026685
"1635366"	782.24448	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+Na+CF3COOH"	136.98208
"1574302"	798.21842	"C19512"	"Prednimustine"	"C35H45Cl2NO6"	"645.2624"	"M+K+CF3COOH"	152.95602
"811231"	265.1233	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M"	0
"984763"	246.10491	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-H2O-H"	-19.01839
"69730"	175.741590666667	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M-3H"	-3.021828
"507105"	264.116024	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M-3H"	-3.021828
"884906"	87.3671573333333	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-3H"	-3.021828
"3481"	264.116024	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M-2H"	-2.014552
"446322"	396.677674	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M-2H"	-2.014552
"823029"	131.554374	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-2H"	-2.014552
"85207"	529.239324	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M-H"	-1.007276
"524770"	794.362624	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M-H"	-1.007276
"908044"	264.116024	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-H"	-1.007276
"59139"	546.265871	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M-2H+NH4"	16.019271
"497601"	811.389171	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M-2H+NH4"	16.019271
"875402"	281.142571	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-2H+NH4"	16.019271
"42210"	551.221266	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M-2H+Na"	20.974666
"480676"	816.344566	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M-2H+Na"	20.974666
"859572"	286.097966	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-2H+Na"	20.974666
"1620358"	286.097966	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Na-2H"	20.974666
"97980"	282.104363	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M-H+Cl"	33.962126
"534378"	414.666013	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M-H+Cl"	33.962126
"929235"	149.542713	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-H+Cl"	33.962126
"269984"	565.216002	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+Cl"	34.969402
"661673"	830.339302	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+Cl"	34.969402
"1273351"	300.092702	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Cl"	34.969402
"18817"	567.195206	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M-2H+K"	36.948606
"458013"	832.318506	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M-2H+K"	36.948606
"833307"	302.071906	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-2H+K"	36.948606
"1557115"	302.071906	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+K-2H"	36.948606
"943097"	310.121494	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-H+HCOOH"	44.998194
"361677"	575.244801	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+HCOOH-H"	44.998201
"345721"	589.260451	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+Hac-H"	59.013851
"1495573"	324.137151	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Hac-H"	59.013851
"964207"	332.103451	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-H+NaCOOH"	66.980151
"110928"	300.092702	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+2Cl"	69.938804
"553769"	432.654352	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+2Cl"	69.938804
"1022807"	167.531052	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2Cl"	69.938804
"1244334"	344.042185	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Br"	78.918885
"1306057"	346.098172	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Cl+HCOOH"	80.974872
"1322096"	368.080129	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Cl+NaCOOH"	102.956829
"911521"	378.108886	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M-H+CF3COOH"	112.985586
"1288809"	414.085564	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Cl+CF3COOH"	148.962264
"1367699"	230.110624	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H-2H2O"	-35.012676
"1383698"	248.1206	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H-H2O"	-17.0027
"286303"	531.253876	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+H"	1.007276
"677993"	796.377176	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+H"	1.007276
"1351665"	266.130576	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H"	1.007276
"125716"	266.130576	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+2H"	2.014552
"565812"	398.692226	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+2H"	2.014552
"1037213"	133.568926	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2H"	2.014552
"204329"	177.756142666667	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+3H"	3.021828
"644310"	266.130576	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+3H"	3.021828
"1163238"	89.3817093333333	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+3H"	3.021828
"424923"	548.280423	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+NH4"	18.033823
"786417"	813.403723	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+NH4"	18.033823
"1695636"	283.157123	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+NH4"	18.033823
"340633"	274.6438495	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+H+NH4"	19.041099
"733054"	407.2054995	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+H+NH4"	19.041099
"1486875"	142.0821995	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H+NH4"	19.041099
"400091"	553.235818	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+Na"	22.989218
"762180"	818.359118	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+Na"	22.989218
"1612465"	288.112518	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Na"	22.989218
"324689"	277.121547	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+H+Na"	23.996494
"714925"	409.683197	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+H+Na"	23.996494
"1464374"	144.559897	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H+Na"	23.996494
"1061993"	96.7090233333333	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2H+Na"	25.00377
"1265859"	298.156786	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+CH3OH+H"	33.033486
"383341"	569.209758	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+K"	38.963158
"746523"	834.333058	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+K"	38.963158
"1545298"	304.086458	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+K"	38.963158
"304662"	285.108517	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+H+K"	39.970434
"692710"	417.670167	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+H+K"	39.970434
"1450904"	152.546867	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H+K"	39.970434
"242786"	572.280426	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+ACN+H"	42.033826
"1218775"	307.157126	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+ACN+H"	42.033826
"1203754"	154.082201	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+ACN+2H"	43.041102
"194440"	575.21776	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+2Na-H"	44.97116
"638370"	840.34106	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+2Na-H"	44.97116
"1132763"	310.09446	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2Na-H"	44.97116
"181886"	288.112518	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+2Na"	45.978436
"613910"	420.674168	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+2Na"	45.978436
"1119850"	155.550868	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2Na"	45.978436
"1405195"	104.036337333333	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H+2Na"	46.985712
"1434025"	312.136046	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H+HCOOH"	47.012746
"223360"	293.14554	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+3H2O+2H"	56.04448
"1510449"	326.18809	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+IsoProp+H"	61.06479
"412566"	296.099488	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+Na+K"	61.952376
"772832"	428.661138	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+Na+K"	61.952376
"1665920"	163.537838	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Na+K"	61.952376
"251873"	594.262368	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+ACN+Na"	64.015768
"1227310"	329.139068	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+ACN+Na"	64.015768
"1714738"	329.162593	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+NH4+HCOOH"	64.039293
"1181551"	111.363651333333	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+3Na"	68.967654
"1653266"	334.117988	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Na+HCOOH"	68.994688
"161587"	607.16564	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+2K-H"	76.91904
"600782"	872.28894	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+2K-H"	76.91904
"1090397"	342.04234	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2K-H"	76.91904
"143568"	304.086458	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"2M+2K"	77.926316
"581786"	436.648108	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"3M+2K"	77.926316
"1070559"	171.524808	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2K"	77.926316
"1108143"	344.056892	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2K+H"	78.933592
"1343435"	344.144507	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+DMSO+H"	79.021207
"1011964"	348.183676	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2ACN+H"	83.060376
"1528994"	349.177308	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+IsoProp+Na+H"	84.054008
"993256"	174.595476	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+2ACN+2H"	84.067652
"1589947"	350.091928	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+K+HCOOH"	84.968628
"1418889"	380.123438	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+H+CF3COOH"	115.000138
"1150272"	195.108751	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+3ACN+2H"	125.094202
"1697997"	397.149985	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+NH4+CF3COOH"	132.026685
"1634786"	402.10538	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+Na+CF3COOH"	136.98208
"1574412"	418.07932	"C19513"	"Pronetalol hydrochloride"	"C15H19NOHCl"	"265.1233"	"M+K+CF3COOH"	152.95602
"811341"	103.0633	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M"	0
"984873"	84.04491	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-H2O-H"	-19.01839
"74213"	67.7015906666667	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M-3H"	-3.021828
"512680"	102.056024	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M-3H"	-3.021828
"888293"	33.3471573333333	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-3H"	-3.021828
"12335"	102.056024	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M-2H"	-2.014552
"449711"	153.587674	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M-2H"	-2.014552
"826418"	50.524374	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-2H"	-2.014552
"85316"	205.119324	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M-H"	-1.007276
"529252"	308.182624	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M-H"	-1.007276
"907057"	102.056024	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-H"	-1.007276
"60339"	222.145871	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M-2H+NH4"	16.019271
"496617"	325.209171	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M-2H+NH4"	16.019271
"872232"	119.082571	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-2H+NH4"	16.019271
"39040"	227.101266	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M-2H+Na"	20.974666
"478600"	330.164566	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M-2H+Na"	20.974666
"858589"	124.037966	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-2H+Na"	20.974666
"1620468"	124.037966	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Na-2H"	20.974666
"98090"	120.044363	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M-H+Cl"	33.962126
"534850"	171.576013	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M-H+Cl"	33.962126
"935542"	68.512713	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-H+Cl"	33.962126
"270823"	241.096002	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+Cl"	34.969402
"661787"	344.159302	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+Cl"	34.969402
"1277107"	138.032702	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Cl"	34.969402
"18565"	243.075206	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M-2H+K"	36.948606
"459218"	346.138506	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M-2H+K"	36.948606
"834473"	140.011906	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-2H+K"	36.948606
"1557230"	140.011906	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+K-2H"	36.948606
"945846"	148.061494	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-H+HCOOH"	44.998194
"362481"	251.124801	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+HCOOH-H"	44.998201
"345914"	265.140451	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+Hac-H"	59.013851
"1494590"	162.077151	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Hac-H"	59.013851
"963224"	170.043451	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-H+NaCOOH"	66.980151
"114319"	138.032702	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+2Cl"	69.938804
"552782"	189.564352	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+2Cl"	69.938804
"1024866"	86.501052	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2Cl"	69.938804
"1243352"	181.982185	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Br"	78.918885
"1306532"	184.038172	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Cl+HCOOH"	80.974872
"1321842"	206.020129	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Cl+NaCOOH"	102.956829
"912044"	216.048886	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M-H+CF3COOH"	112.985586
"1288880"	252.025564	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Cl+CF3COOH"	148.962264
"1372508"	68.050624	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H-2H2O"	-35.012676
"1384537"	86.0606	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H-H2O"	-17.0027
"288598"	207.133876	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+H"	1.007276
"675954"	310.197176	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+H"	1.007276
"1351655"	104.070576	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H"	1.007276
"125997"	104.070576	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+2H"	2.014552
"565926"	155.602226	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+2H"	2.014552
"1037757"	52.538926	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2H"	2.014552
"204444"	69.7161426666667	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+3H"	3.021828
"644392"	104.070576	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+3H"	3.021828
"1163594"	35.3617093333333	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+3H"	3.021828
"424283"	224.160423	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+NH4"	18.033823
"788472"	327.223723	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+NH4"	18.033823
"1690276"	121.097123	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+NH4"	18.033823
"339648"	112.5838495	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+H+NH4"	19.041099
"735350"	164.1154995	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+H+NH4"	19.041099
"1489170"	61.0521995	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H+NH4"	19.041099
"399103"	229.115818	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+Na"	22.989218
"759011"	332.179118	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+Na"	22.989218
"1610389"	126.052518	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Na"	22.989218
"318238"	115.061547	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+H+Na"	23.996494
"717222"	166.593197	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+H+Na"	23.996494
"1471043"	63.529897	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H+Na"	23.996494
"1063196"	42.6890233333333	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2H+Na"	25.00377
"1267060"	136.096786	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+CH3OH+H"	33.033486
"385638"	245.089758	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+K"	38.963158
"744446"	348.153058	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+K"	38.963158
"1549780"	142.026458	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+K"	38.963158
"303678"	123.048517	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+H+K"	39.970434
"696100"	174.580167	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+H+K"	39.970434
"1456481"	71.516867	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H+K"	39.970434
"243990"	248.160426	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+ACN+H"	42.033826
"1216699"	145.097126	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+ACN+H"	42.033826
"1201676"	73.052201	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+ACN+2H"	43.041102
"196736"	251.09776	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+2Na-H"	44.97116
"634108"	354.16106	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+2Na-H"	44.97116
"1137611"	148.03446	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2Na-H"	44.97116
"180172"	126.052518	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+2Na"	45.978436
"614993"	177.584168	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+2Na"	45.978436
"1119959"	74.520868	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2Na"	45.978436
"1404575"	50.0163373333333	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H+2Na"	46.985712
"1430612"	150.076046	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H+HCOOH"	47.012746
"229302"	131.08554	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+3H2O+2H"	56.04448
"1508817"	164.12809	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+IsoProp+H"	61.06479
"408781"	134.039488	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+Na+K"	61.952376
"770143"	185.571138	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+Na+K"	61.952376
"1665661"	82.507838	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Na+K"	61.952376
"251691"	270.142368	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+ACN+Na"	64.015768
"1227420"	167.079068	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+ACN+Na"	64.015768
"1713755"	167.102593	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+NH4+HCOOH"	64.039293
"1181661"	57.3436513333333	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+3Na"	68.967654
"1652283"	172.057988	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Na+HCOOH"	68.994688
"164614"	283.04564	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+2K-H"	76.91904
"600163"	386.10894	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+2K-H"	76.91904
"1090143"	179.98234	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2K-H"	76.91904
"145502"	142.026458	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"2M+2K"	77.926316
"581474"	193.558108	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"3M+2K"	77.926316
"1069452"	90.494808	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2K"	77.926316
"1109346"	181.996892	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2K+H"	78.933592
"1342451"	182.084507	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+DMSO+H"	79.021207
"1008794"	186.123676	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2ACN+H"	83.060376
"1526917"	187.117308	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+IsoProp+Na+H"	84.054008
"991179"	93.565476	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+2ACN+2H"	84.067652
"1588235"	188.031928	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+K+HCOOH"	84.968628
"1418999"	218.063438	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+H+CF3COOH"	115.000138
"1149289"	114.078751	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+3ACN+2H"	125.094202
"1697500"	235.089985	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+NH4+CF3COOH"	132.026685
"1634857"	240.04538	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+Na+CF3COOH"	136.98208
"1574522"	256.01932	"C19514"	"n-Propyl carbamate"	"C4H9NO2"	"103.0633"	"M+K+CF3COOH"	152.95602
"811451"	398.1941	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M"	0
"984983"	379.17571	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-H2O-H"	-19.01839
"72137"	264.455457333333	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M-3H"	-3.021828
"510604"	397.186824	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M-3H"	-3.021828
"887310"	131.724090666667	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-3H"	-3.021828
"9166"	397.186824	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M-2H"	-2.014552
"446542"	596.283874	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M-2H"	-2.014552
"826528"	198.089774	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-2H"	-2.014552
"87614"	795.380924	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M-H"	-1.007276
"526083"	1193.575024	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M-H"	-1.007276
"903886"	397.186824	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-H"	-1.007276
"60449"	812.407471	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M-2H+NH4"	16.019271
"496727"	1210.601571	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M-2H+NH4"	16.019271
"871249"	414.213371	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-2H+NH4"	16.019271
"39150"	817.362866	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M-2H+Na"	20.974666
"478710"	1215.556966	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M-2H+Na"	20.974666
"858699"	419.168766	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-2H+Na"	20.974666
"1620942"	419.168766	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Na-2H"	20.974666
"98200"	415.175163	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M-H+Cl"	33.962126
"534957"	614.272213	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M-H+Cl"	33.962126
"934559"	216.078113	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-H+Cl"	33.962126
"269110"	831.357602	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+Cl"	34.969402
"661897"	1229.551702	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+Cl"	34.969402
"1274665"	433.163502	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Cl"	34.969402
"17946"	833.336806	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M-2H+K"	36.948606
"459327"	1231.530906	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M-2H+K"	36.948606
"833488"	435.142706	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-2H+K"	36.948606
"1556973"	435.142706	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+K-2H"	36.948606
"943039"	443.192294	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-H+HCOOH"	44.998194
"361985"	841.386401	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+HCOOH-H"	44.998201
"346229"	855.402051	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+Hac-H"	59.013851
"1497980"	457.207951	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Hac-H"	59.013851
"961145"	465.174251	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-H+NaCOOH"	66.980151
"114429"	433.163502	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+2Cl"	69.938804
"553987"	632.260552	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+2Cl"	69.938804
"1026067"	234.066452	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2Cl"	69.938804
"1245647"	477.112985	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Br"	78.918885
"1309194"	479.168972	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Cl+HCOOH"	80.974872
"1320859"	501.150929	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Cl+NaCOOH"	102.956829
"911587"	511.179686	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M-H+CF3COOH"	112.985586
"1288702"	547.156364	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Cl+CF3COOH"	148.962264
"1372618"	363.181424	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H-2H2O"	-35.012676
"1382864"	381.1914	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H-H2O"	-17.0027
"286522"	797.395476	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+H"	1.007276
"675740"	1195.589576	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+H"	1.007276
"1352008"	399.201376	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H"	1.007276
"126353"	399.201376	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+2H"	2.014552
"567738"	598.298426	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+2H"	2.014552
"1037504"	200.104326	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2H"	2.014552
"204394"	266.470009333333	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+3H"	3.021828
"644486"	399.201376	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+3H"	3.021828
"1163220"	133.738642666667	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+3H"	3.021828
"428678"	814.422023	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+NH4"	18.033823
"785898"	1212.616123	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+NH4"	18.033823
"1683459"	416.227923	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+NH4"	18.033823
"338664"	407.7146495	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+H+NH4"	19.041099
"728898"	606.8116995	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+H+NH4"	19.041099
"1483812"	208.6175995	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H+NH4"	19.041099
"398117"	819.377418	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+Na"	22.989218
"762400"	1217.571518	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+Na"	22.989218
"1610499"	421.183318	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Na"	22.989218
"318348"	410.192347	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+H+Na"	23.996494
"714052"	609.289397	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+H+Na"	23.996494
"1475528"	211.095297	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H+Na"	23.996494
"1065493"	141.065956666667	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2H+Na"	25.00377
"1266078"	431.227586	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+CH3OH+H"	33.033486
"384655"	835.351358	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+K"	38.963158
"743464"	1233.545458	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+K"	38.963158
"1547704"	437.157258	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+K"	38.963158
"303788"	418.179317	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+H+K"	39.970434
"700584"	617.276367	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+H+K"	39.970434
"1456592"	219.082267	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H+K"	39.970434
"244099"	838.422026	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+ACN+H"	42.033826
"1217902"	440.227926	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+ACN+H"	42.033826
"1199962"	220.617601	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+ACN+2H"	43.041102
"197938"	841.35936	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+2Na-H"	44.97116
"635311"	1239.55346	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+2Na-H"	44.97116
"1136627"	443.16526	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2Na-H"	44.97116
"179554"	421.183318	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+2Na"	45.978436
"617291"	620.280368	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+2Na"	45.978436
"1121894"	222.086268	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2Na"	45.978436
"1402134"	148.393270666667	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H+2Na"	46.985712
"1432426"	445.206846	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H+HCOOH"	47.012746
"229412"	426.21634	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+3H2O+2H"	56.04448
"1509210"	459.25889	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+IsoProp+H"	61.06479
"410720"	429.170288	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+Na+K"	61.952376
"770982"	628.267338	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+Na+K"	61.952376
"1666703"	230.073238	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Na+K"	61.952376
"252979"	860.403968	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+ACN+Na"	64.015768
"1230446"	462.209868	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+ACN+Na"	64.015768
"1713865"	462.233393	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+NH4+HCOOH"	64.039293
"1180678"	155.720584666667	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+3Na"	68.967654
"1655673"	467.188788	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Na+HCOOH"	68.994688
"164724"	873.30724	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+2K-H"	76.91904
"599909"	1271.50134	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+2K-H"	76.91904
"1087701"	475.11314	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2K-H"	76.91904
"143060"	437.157258	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"2M+2K"	77.926316
"582005"	636.254308	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"3M+2K"	77.926316
"1070779"	238.060208	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2K"	77.926316
"1108363"	477.127692	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2K+H"	78.933592
"1339281"	477.215307	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+DMSO+H"	79.021207
"1007810"	481.254476	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2ACN+H"	83.060376
"1531401"	482.248108	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+IsoProp+Na+H"	84.054008
"995663"	241.130876	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+2ACN+2H"	84.067652
"1590168"	483.162728	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+K+HCOOH"	84.968628
"1419109"	513.194238	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+H+CF3COOH"	115.000138
"1147576"	261.644151	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+3ACN+2H"	125.094202
"1697132"	530.220785	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+NH4+CF3COOH"	132.026685
"1634724"	535.17618	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+Na+CF3COOH"	136.98208
"1575725"	551.15012	"C19515"	"Ptaquiloside;Braxin C"	"C20H30O8"	"398.1941"	"M+K+CF3COOH"	152.95602
"811561"	237.0426	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M"	0
"985093"	218.02421	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-H2O-H"	-19.01839
"72247"	157.021124	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M-3H"	-3.021828
"510713"	236.035324	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M-3H"	-3.021828
"885233"	78.006924	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-3H"	-3.021828
"8181"	236.035324	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M-2H"	-2.014552
"444461"	354.556624	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M-2H"	-2.014552
"821534"	117.514024	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-2H"	-2.014552
"86629"	473.077924	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M-H"	-1.007276
"523275"	710.120524	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M-H"	-1.007276
"899984"	236.035324	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-H"	-1.007276
"53996"	490.104471	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M-2H+NH4"	16.019271
"491370"	727.147071	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M-2H+NH4"	16.019271
"871358"	253.061871	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-2H+NH4"	16.019271
"40353"	495.059866	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M-2H+Na"	20.974666
"477726"	732.102466	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M-2H+Na"	20.974666
"856622"	258.017266	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-2H+Na"	20.974666
"1620809"	258.017266	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Na-2H"	20.974666
"95514"	254.023663	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M-H+Cl"	33.962126
"534778"	372.544963	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M-H+Cl"	33.962126
"935762"	135.502363	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-H+Cl"	33.962126
"270315"	509.054602	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+Cl"	34.969402
"662006"	746.097202	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+Cl"	34.969402
"1274775"	272.012002	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Cl"	34.969402
"21699"	511.033806	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M-2H+K"	36.948606
"459073"	748.076406	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M-2H+K"	36.948606
"834328"	273.991206	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-2H+K"	36.948606
"1556838"	273.991206	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+K-2H"	36.948606
"943754"	282.040794	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-H+HCOOH"	44.998194
"363188"	519.083401	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+HCOOH-H"	44.998201
"347797"	533.099051	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+Hac-H"	59.013851
"1494809"	296.056451	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Hac-H"	59.013851
"960889"	304.022751	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-H+NaCOOH"	66.980151
"115631"	272.012002	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+2Cl"	69.938804
"552274"	390.533302	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+2Cl"	69.938804
"1023746"	153.490702	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2Cl"	69.938804
"1243570"	315.961485	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Br"	78.918885
"1309305"	318.017472	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Cl+HCOOH"	80.974872
"1320605"	339.999429	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Cl+NaCOOH"	102.956829
"912143"	350.028186	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M-H+CF3COOH"	112.985586
"1288936"	386.004864	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Cl+CF3COOH"	148.962264
"1372728"	202.029924	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H-2H2O"	-35.012676
"1383785"	220.0399	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H-H2O"	-17.0027
"289912"	475.092476	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+H"	1.007276
"679052"	712.135076	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+H"	1.007276
"1353212"	238.049876	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H"	1.007276
"126949"	238.049876	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+2H"	2.014552
"566017"	356.571176	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+2H"	2.014552
"1037370"	119.528576	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2H"	2.014552
"206736"	159.035676	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+3H"	3.021828
"646661"	238.049876	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+3H"	3.021828
"1164423"	80.021476	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+3H"	3.021828
"425508"	492.119023	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+NH4"	18.033823
"785764"	729.161623	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+NH4"	18.033823
"1686484"	255.076423	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+NH4"	18.033823
"338774"	246.5631495	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+H+NH4"	19.041099
"727914"	365.0844495	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+H+NH4"	19.041099
"1481006"	128.0418495	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H+NH4"	19.041099
"398227"	497.074418	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+Na"	22.989218
"762507"	734.117018	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+Na"	22.989218
"1606230"	260.031818	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Na"	22.989218
"320643"	249.040847	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+H+Na"	23.996494
"710878"	367.562147	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+H+Na"	23.996494
"1464702"	130.519547	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H+Na"	23.996494
"1059042"	87.34879	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2H+Na"	25.00377
"1266187"	270.076086	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+CH3OH+H"	33.033486
"385858"	513.048358	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+K"	38.963158
"742481"	750.090958	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+K"	38.963158
"1547814"	276.005758	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+K"	38.963158
"302801"	257.027817	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+H+K"	39.970434
"699598"	375.549117	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+H+K"	39.970434
"1452326"	138.506517	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H+K"	39.970434
"245303"	516.119026	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+ACN+H"	42.033826
"1216918"	279.076426	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+ACN+H"	42.033826
"1201895"	140.041851	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+ACN+2H"	43.041102
"199870"	519.05636	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+2Na-H"	44.97116
"636514"	756.09896	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+2Na-H"	44.97116
"1136738"	282.01376	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2Na-H"	44.97116
"177842"	260.031818	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+2Na"	45.978436
"615944"	378.553118	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+2Na"	45.978436
"1124190"	141.510518	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2Na"	45.978436
"1403339"	94.676104	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H+2Na"	46.985712
"1436545"	284.055346	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H+HCOOH"	47.012746
"229522"	265.06484	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+3H2O+2H"	56.04448
"1511752"	298.10739	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+IsoProp+H"	61.06479
"412895"	268.018788	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+Na+K"	61.952376
"771703"	386.540088	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+Na+K"	61.952376
"1666330"	149.497488	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Na+K"	61.952376
"252362"	538.100968	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+ACN+Na"	64.015768
"1227640"	301.058368	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+ACN+Na"	64.015768
"1713239"	301.081893	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+NH4+HCOOH"	64.039293
"1179079"	102.003418	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+3Na"	68.967654
"1650799"	306.037288	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Na+HCOOH"	68.994688
"160458"	551.00424	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+2K-H"	76.91904
"600748"	788.04684	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+2K-H"	76.91904
"1085624"	313.96164	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2K-H"	76.91904
"142192"	276.005758	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"2M+2K"	77.926316
"582965"	394.527058	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"3M+2K"	77.926316
"1069061"	157.484458	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2K"	77.926316
"1106286"	315.976192	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2K+H"	78.933592
"1337200"	316.063807	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+DMSO+H"	79.021207
"1009014"	320.102976	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2ACN+H"	83.060376
"1528230"	321.096608	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+IsoProp+Na+H"	84.054008
"992493"	160.555126	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+2ACN+2H"	84.067652
"1590278"	322.011228	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+K+HCOOH"	84.968628
"1415939"	352.042738	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+H+CF3COOH"	115.000138
"1148050"	181.068401	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+3ACN+2H"	125.094202
"1697083"	369.069285	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+NH4+CF3COOH"	132.026685
"1634713"	374.02468	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+Na+CF3COOH"	136.98208
"1576928"	389.99862	"C19516"	"Pyrido34-cpsoralen"	"C14H7NO3"	"237.0426"	"M+K+CF3COOH"	152.95602
"810578"	478.2023	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M"	0
"985203"	459.18391	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-H2O-H"	-19.01839
"69078"	317.794257333333	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M-3H"	-3.021828
"506450"	477.195024	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M-3H"	-3.021828
"888624"	158.393490666667	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-3H"	-3.021828
"7199"	477.195024	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M-2H"	-2.014552
"448947"	716.296174	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M-2H"	-2.014552
"824561"	238.093874	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-2H"	-2.014552
"84552"	955.397324	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M-H"	-1.007276
"523019"	1433.599624	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M-H"	-1.007276
"900824"	477.195024	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-H"	-1.007276
"55200"	972.423871	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M-2H+NH4"	16.019271
"496948"	1450.626171	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M-2H+NH4"	16.019271
"871471"	494.221571	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-2H+NH4"	16.019271
"41557"	977.379266	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M-2H+Na"	20.974666
"482211"	1455.581566	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M-2H+Na"	20.974666
"856732"	499.176966	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-2H+Na"	20.974666
"1619216"	499.176966	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Na-2H"	20.974666
"95013"	495.183363	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M-H+Cl"	33.962126
"534264"	734.284513	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M-H+Cl"	33.962126
"929310"	256.082213	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-H+Cl"	33.962126
"270423"	991.374002	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+Cl"	34.969402
"662481"	1469.576302	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+Cl"	34.969402
"1273665"	513.171702	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Cl"	34.969402
"17198"	993.353206	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M-2H+K"	36.948606
"457731"	1471.555506	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M-2H+K"	36.948606
"834432"	515.150906	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-2H+K"	36.948606
"1557554"	515.150906	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+K-2H"	36.948606
"944350"	523.200494	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-H+HCOOH"	44.998194
"363295"	1001.402801	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+HCOOH-H"	44.998201
"346446"	1015.418451	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+Hac-H"	59.013851
"1494184"	537.216151	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Hac-H"	59.013851
"964646"	545.182451	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-H+NaCOOH"	66.980151
"113554"	513.171702	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+2Cl"	69.938804
"554207"	752.272852	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+2Cl"	69.938804
"1026287"	274.070552	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2Cl"	69.938804
"1243680"	557.121185	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Br"	78.918885
"1311601"	559.177172	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Cl+HCOOH"	80.974872
"1330192"	581.159129	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Cl+NaCOOH"	102.956829
"917972"	591.187886	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M-H+CF3COOH"	112.985586
"1296865"	627.164564	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Cl+CF3COOH"	148.962264
"1372840"	443.189624	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H-2H2O"	-35.012676
"1392524"	461.1996	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H-H2O"	-17.0027
"296583"	957.411876	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+H"	1.007276
"678069"	1435.614176	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+H"	1.007276
"1353323"	479.209576	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H"	1.007276
"126938"	479.209576	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+2H"	2.014552
"566252"	718.310726	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+2H"	2.014552
"1037729"	240.108426	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2H"	2.014552
"211222"	319.808809333333	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+3H"	3.021828
"646772"	479.209576	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+3H"	3.021828
"1165627"	160.408042666667	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+3H"	3.021828
"426711"	974.438423	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+NH4"	18.033823
"789167"	1452.640723	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+NH4"	18.033823
"1686230"	496.236123	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+NH4"	18.033823
"335964"	487.7228495	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+H+NH4"	19.041099
"728025"	726.8239995	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+H+NH4"	19.041099
"1485126"	248.6216995	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H+NH4"	19.041099
"398337"	979.393818	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+Na"	22.989218
"758246"	1457.596118	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+Na"	22.989218
"1605253"	501.191518	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Na"	22.989218
"316383"	490.200547	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+H+Na"	23.996494
"714273"	729.301697	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+H+Na"	23.996494
"1471375"	251.099397	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H+Na"	23.996494
"1063527"	167.735356666667	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2H+Na"	25.00377
"1268486"	511.235786	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+CH3OH+H"	33.033486
"388154"	995.367758	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+K"	38.963158
"743682"	1473.570058	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+K"	38.963158
"1543550"	517.165458	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+K"	38.963158
"308381"	498.187517	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+H+K"	39.970434
"693149"	737.288667	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+H+K"	39.970434
"1452436"	259.086367	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H+K"	39.970434
"242132"	998.438426	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+ACN+H"	42.033826
"1214840"	520.236126	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+ACN+H"	42.033826
"1200912"	260.621701	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+ACN+2H"	43.041102
"197064"	1001.37576	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+2Na-H"	44.97116
"635530"	1479.57806	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+2Na-H"	44.97116
"1136482"	523.17346	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2Na-H"	44.97116
"177952"	501.191518	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+2Na"	45.978436
"621886"	740.292668	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+2Na"	45.978436
"1123205"	262.090368	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2Na"	45.978436
"1408916"	175.062670666667	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H+2Na"	46.985712
"1434470"	525.215046	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H+HCOOH"	47.012746
"221978"	506.22454	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+3H2O+2H"	56.04448
"1511862"	539.26709	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+IsoProp+H"	61.06479
"410453"	509.178488	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+Na+K"	61.952376
"772544"	748.279638	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+Na+K"	61.952376
"1667414"	270.077338	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Na+K"	61.952376
"252473"	1020.420368	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+ACN+Na"	64.015768
"1227016"	542.218068	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+ACN+Na"	64.015768
"1714084"	542.241593	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+NH4+HCOOH"	64.039293
"1183087"	182.389984666667	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+3Na"	68.967654
"1654803"	547.196988	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Na+HCOOH"	68.994688
"160570"	1033.32364	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+2K-H"	76.91904
"598179"	1511.52594	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+2K-H"	76.91904
"1087923"	555.12134	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2K-H"	76.91904
"143765"	517.165458	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"2M+2K"	77.926316
"586487"	756.266608	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"3M+2K"	77.926316
"1069538"	278.064308	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2K"	77.926316
"1101294"	557.135892	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2K+H"	78.933592
"1339501"	557.223507	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+DMSO+H"	79.021207
"1013497"	561.262676	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2ACN+H"	83.060376
"1528341"	562.256308	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+IsoProp+Na+H"	84.054008
"998072"	281.134976	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+2ACN+2H"	84.067652
"1591483"	563.170928	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+K+HCOOH"	84.968628
"1417141"	593.202438	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+H+CF3COOH"	115.000138
"1147431"	301.648251	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+3ACN+2H"	125.094202
"1697222"	610.228985	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+NH4+CF3COOH"	132.026685
"1634824"	615.18438	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+Na+CF3COOH"	136.98208
"1577038"	631.15832	"C19517"	"Rhodamine B"	"C28H31N2O3Cl"	"478.2023"	"M+K+CF3COOH"	152.95602
"810688"	268.1324	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M"	0
"984220"	249.11401	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-H2O-H"	-19.01839
"70274"	177.747657333333	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M-3H"	-3.021828
"505461"	267.125124	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M-3H"	-3.021828
"888734"	88.3701906666667	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-3H"	-3.021828
"9498"	267.125124	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M-2H"	-2.014552
"445776"	401.191324	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M-2H"	-2.014552
"822485"	133.058924	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-2H"	-2.014552
"84662"	535.257524	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M-H"	-1.007276
"520942"	803.389924	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M-H"	-1.007276
"899841"	267.125124	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-H"	-1.007276
"54217"	552.284071	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M-2H+NH4"	16.019271
"495965"	820.416471	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M-2H+NH4"	16.019271
"874861"	284.151671	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-2H+NH4"	16.019271
"41667"	557.239466	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M-2H+Na"	20.974666
"480135"	825.371866	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M-2H+Na"	20.974666
"855749"	289.107066	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-2H+Na"	20.974666
"1618802"	289.107066	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Na-2H"	20.974666
"95250"	285.113463	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M-H+Cl"	33.962126
"534558"	419.179663	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M-H+Cl"	33.962126
"928327"	151.047263	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-H+Cl"	33.962126
"268710"	571.234202	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+Cl"	34.969402
"660118"	839.366602	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+Cl"	34.969402
"1272802"	303.101802	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Cl"	34.969402
"16214"	573.213406	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M-2H+K"	36.948606
"456382"	841.345806	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M-2H+K"	36.948606
"834177"	305.081006	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-2H+K"	36.948606
"1555840"	305.081006	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+K-2H"	36.948606
"944459"	313.130594	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-H+HCOOH"	44.998194
"361596"	581.263001	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+HCOOH-H"	44.998201
"347287"	595.278651	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+Hac-H"	59.013851
"1493563"	327.146251	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Hac-H"	59.013851
"961476"	335.112551	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-H+NaCOOH"	66.980151
"113664"	303.101802	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+2Cl"	69.938804
"552130"	437.168002	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+2Cl"	69.938804
"1023117"	169.035602	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2Cl"	69.938804
"1243057"	347.051285	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Br"	78.918885
"1309521"	349.107272	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Cl+HCOOH"	80.974872
"1320822"	371.089229	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Cl+NaCOOH"	102.956829
"912973"	381.117986	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M-H+CF3COOH"	112.985586
"1290047"	417.094664	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Cl+CF3COOH"	148.962264
"1367398"	233.119724	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H-2H2O"	-35.012676
"1386073"	251.1297	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H-H2O"	-17.0027
"283610"	537.272076	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+H"	1.007276
"675692"	805.404476	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+H"	1.007276
"1352339"	269.139676	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H"	1.007276
"126316"	269.139676	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+2H"	2.014552
"565998"	403.205876	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+2H"	2.014552
"1037170"	135.073476	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2H"	2.014552
"209146"	179.762209333333	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+3H"	3.021828
"648705"	269.139676	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+3H"	3.021828
"1167924"	90.3847426666667	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+3H"	3.021828
"429009"	554.298623	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+NH4"	18.033823
"785724"	822.431023	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+NH4"	18.033823
"1685609"	286.166223	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+NH4"	18.033823
"334617"	277.6529495	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+H+NH4"	19.041099
"728495"	411.7191495	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+H+NH4"	19.041099
"1479403"	143.5867495	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H+NH4"	19.041099
"395528"	559.254018	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+Na"	22.989218
"756168"	827.386418	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+Na"	22.989218
"1603009"	291.121618	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Na"	22.989218
"314785"	280.130647	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+H+Na"	23.996494
"707942"	414.196847	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+H+Na"	23.996494
"1470391"	146.064447	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H+Na"	23.996494
"1061449"	97.7120566666667	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2H+Na"	25.00377
"1266409"	301.165886	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+CH3OH+H"	33.033486
"387170"	575.227958	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+K"	38.963158
"741971"	843.360358	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+K"	38.963158
"1544755"	307.095558	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+K"	38.963158
"307397"	288.117617	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+H+K"	39.970434
"695811"	422.183817	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+H+K"	39.970434
"1452546"	154.051417	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H+K"	39.970434
"240054"	578.298626	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+ACN+H"	42.033826
"1214950"	310.166226	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+ACN+H"	42.033826
"1196647"	155.586751	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+ACN+2H"	43.041102
"192799"	581.23596	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+2Na-H"	44.97116
"635640"	849.36836	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+2Na-H"	44.97116
"1135865"	313.10356	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2Na-H"	44.97116
"176968"	291.121618	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+2Na"	45.978436
"621997"	425.187818	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+2Na"	45.978436
"1122223"	157.055418	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2Na"	45.978436
"1404653"	105.039370666667	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H+2Na"	46.985712
"1432393"	315.145146	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H+HCOOH"	47.012746
"220630"	296.15464	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+3H2O+2H"	56.04448
"1510515"	329.19719	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+IsoProp+H"	61.06479
"410931"	299.108588	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+Na+K"	61.952376
"771926"	433.174788	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+Na+K"	61.952376
"1667159"	165.042388	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Na+K"	61.952376
"252951"	600.280568	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+ACN+Na"	64.015768
"1228585"	332.148168	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+ACN+Na"	64.015768
"1717110"	332.171693	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+NH4+HCOOH"	64.039293
"1179303"	112.366684666667	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+3Na"	68.967654
"1652359"	337.127088	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Na+HCOOH"	68.994688
"157756"	613.18384	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+2K-H"	76.91904
"597680"	881.31624	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+2K-H"	76.91904
"1084985"	345.05144	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2K-H"	76.91904
"142289"	307.095558	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"2M+2K"	77.926316
"584409"	441.161758	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"3M+2K"	77.926316
"1069163"	173.029358	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2K"	77.926316
"1103227"	347.065992	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2K+H"	78.933592
"1341798"	347.153607	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+DMSO+H"	79.021207
"1010326"	351.192776	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2ACN+H"	83.060376
"1526264"	352.186408	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+IsoProp+Na+H"	84.054008
"998183"	176.100026	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+2ACN+2H"	84.067652
"1594875"	353.101028	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+K+HCOOH"	84.968628
"1419439"	383.132538	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+H+CF3COOH"	115.000138
"1150094"	196.613301	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+3ACN+2H"	125.094202
"1697455"	400.159085	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+NH4+CF3COOH"	132.026685
"1634689"	405.11448	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+Na+CF3COOH"	136.98208
"1573136"	421.08842	"C19518"	"Ripazepam"	"C15H16N4O"	"268.1324"	"M+K+CF3COOH"	152.95602
"805330"	380.1637	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M"	0
"976677"	361.14531	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-H2O-H"	-19.01839
"66376"	252.435190666667	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M-3H"	-3.021828
"508858"	379.156424	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M-3H"	-3.021828
"885564"	125.713957333333	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-3H"	-3.021828
"9608"	379.156424	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M-2H"	-2.014552
"446981"	569.238274	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M-2H"	-2.014552
"825874"	189.074574	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-2H"	-2.014552
"83683"	759.320124	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M-H"	-1.007276
"523241"	1139.483824	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M-H"	-1.007276
"899951"	379.156424	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-H"	-1.007276
"54327"	776.346671	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M-2H+NH4"	16.019271
"492064"	1156.510371	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M-2H+NH4"	16.019271
"869135"	396.182971	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-2H+NH4"	16.019271
"40683"	781.302066	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M-2H+Na"	20.974666
"478056"	1161.465766	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M-2H+Na"	20.974666
"855858"	401.138366	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-2H+Na"	20.974666
"1625392"	401.138366	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Na-2H"	20.974666
"97544"	397.144763	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M-H+Cl"	33.962126
"535283"	587.226613	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M-H+Cl"	33.962126
"929528"	207.062913	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-H+Cl"	33.962126
"268334"	795.296802	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+Cl"	34.969402
"662705"	1175.460502	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+Cl"	34.969402
"1274013"	415.133102	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Cl"	34.969402
"17663"	797.276006	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M-2H+K"	36.948606
"458317"	1177.439706	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M-2H+K"	36.948606
"841588"	417.112306	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-2H+K"	36.948606
"1562887"	417.112306	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+K-2H"	36.948606
"946395"	425.161894	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-H+HCOOH"	44.998194
"365703"	805.325601	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+HCOOH-H"	44.998201
"356146"	819.341251	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+Hac-H"	59.013851
"1499511"	439.177551	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Hac-H"	59.013851
"967053"	447.143851	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-H+NaCOOH"	66.980151
"114868"	415.133102	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+2Cl"	69.938804
"552968"	605.214952	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+2Cl"	69.938804
"1027605"	225.051252	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2Cl"	69.938804
"1248277"	459.082585	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Br"	78.918885
"1309631"	461.138572	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Cl+HCOOH"	80.974872
"1323848"	483.120529	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Cl+NaCOOH"	102.956829
"922560"	493.149286	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M-H+CF3COOH"	112.985586
"1293803"	529.125964	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Cl+CF3COOH"	148.962264
"1373062"	345.151024	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H-2H2O"	-35.012676
"1391651"	363.161	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H-H2O"	-17.0027
"284775"	761.334676	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+H"	1.007276
"677561"	1141.498376	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+H"	1.007276
"1352815"	381.170976	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H"	1.007276
"129712"	381.170976	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+2H"	2.014552
"570370"	571.252826	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+2H"	2.014552
"1039170"	191.089126	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2H"	2.014552
"210353"	254.449742666667	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+3H"	3.021828
"649911"	381.170976	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+3H"	3.021828
"1170221"	127.728509333333	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+3H"	3.021828
"431306"	778.361223	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+NH4"	18.033823
"791213"	1158.524923	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+NH4"	18.033823
"1687547"	398.197523	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+NH4"	18.033823
"338012"	389.6842495	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+H+NH4"	19.041099
"732621"	579.7660995	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+H+NH4"	19.041099
"1484255"	199.6023995	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H+NH4"	19.041099
"402939"	783.316618	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+Na"	22.989218
"763933"	1163.480318	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+Na"	22.989218
"1608751"	403.152918	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Na"	22.989218
"315509"	392.161947	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+H+Na"	23.996494
"714493"	582.243797	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+H+Na"	23.996494
"1470500"	202.080097	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H+Na"	23.996494
"1061562"	135.055823333333	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2H+Na"	25.00377
"1265427"	413.197186	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+CH3OH+H"	33.033486
"385095"	799.290558	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+K"	38.963158
"745000"	1179.454258	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+K"	38.963158
"1547052"	419.126858	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+K"	38.963158
"305685"	400.148917	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+H+K"	39.970434
"699930"	590.230767	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+H+K"	39.970434
"1453749"	210.067067	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H+K"	39.970434
"242350"	802.361226	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+ACN+H"	42.033826
"1216154"	422.197526	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+ACN+H"	42.033826
"1203319"	211.602401	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+ACN+2H"	43.041102
"196190"	805.29856	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+2Na-H"	44.97116
"632105"	1185.46226	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+2Na-H"	44.97116
"1140350"	425.13486	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2Na-H"	44.97116
"179267"	403.152918	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+2Na"	45.978436
"623200"	593.234768	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+2Na"	45.978436
"1124519"	213.071068	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2Na"	45.978436
"1405856"	142.383137333333	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H+2Na"	46.985712
"1439065"	427.176446	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H+HCOOH"	47.012746
"223294"	408.18594	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+3H2O+2H"	56.04448
"1514635"	441.22849	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+IsoProp+H"	61.06479
"415415"	411.139888	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+Na+K"	61.952376
"772037"	601.221738	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+Na+K"	61.952376
"1668371"	221.058038	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Na+K"	61.952376
"251732"	824.343168	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+ACN+Na"	64.015768
"1227600"	444.179468	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+ACN+Na"	64.015768
"1713328"	444.202993	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+NH4+HCOOH"	64.039293
"1179326"	149.710451333333	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+3Na"	68.967654
"1650557"	449.158388	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Na+HCOOH"	68.994688
"157337"	837.24644	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+2K-H"	76.91904
"597544"	1217.41014	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+2K-H"	76.91904
"1084690"	457.08274	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2K-H"	76.91904
"141790"	419.126858	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"2M+2K"	77.926316
"581672"	609.208708	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"3M+2K"	77.926316
"1068736"	229.045008	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2K"	77.926316
"1102242"	459.097292	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2K+H"	78.933592
"1336924"	459.184907	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+DMSO+H"	79.021207
"1005752"	463.224076	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2ACN+H"	83.060376
"1525399"	464.217708	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+IsoProp+Na+H"	84.054008
"990881"	232.115676	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+2ACN+2H"	84.067652
"1589515"	465.132328	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+K+HCOOH"	84.968628
"1415294"	495.163838	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+H+CF3COOH"	115.000138
"1147161"	252.628951	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+3ACN+2H"	125.094202
"1697044"	512.190385	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+NH4+CF3COOH"	132.026685
"1634674"	517.14578	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+Na+CF3COOH"	136.98208
"1581635"	533.11972	"C19520"	"Scarlet Red;1-2-2-Methyl-4-2-(2-methylphenyl)diazenylphenyldiazenyl-2-naphthalenol"	"C24H20N4O"	"380.1637"	"M+K+CF3COOH"	152.95602
"802160"	111.0199	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M"	0
"978973"	92.00151	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-H2O-H"	-19.01839
"68309"	73.0059906666667	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M-3H"	-3.021828
"511152"	110.012624	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M-3H"	-3.021828
"885674"	35.9993573333333	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-3H"	-3.021828
"9718"	110.012624	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M-2H"	-2.014552
"447090"	165.522574	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M-2H"	-2.014552
"828171"	54.502674	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-2H"	-2.014552
"87073"	221.032524	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M-H"	-1.007276
"525538"	332.052424	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M-H"	-1.007276
"905524"	110.012624	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-H"	-1.007276
"55527"	238.059071	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M-2H+NH4"	16.019271
"497274"	349.078971	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M-2H+NH4"	16.019271
"871068"	127.039171	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-2H+NH4"	16.019271
"38606"	243.014466	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M-2H+Na"	20.974666
"481448"	354.034366	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M-2H+Na"	20.974666
"857062"	131.994566	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-2H+Na"	20.974666
"1627689"	131.994566	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Na-2H"	20.974666
"99477"	128.000963	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M-H+Cl"	33.962126
"538673"	183.510913	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M-H+Cl"	33.962126
"929635"	72.491013	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-H+Cl"	33.962126
"270388"	257.009202	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+Cl"	34.969402
"661722"	368.029102	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+Cl"	34.969402
"1274851"	145.989302	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Cl"	34.969402
"17773"	258.988406	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M-2H+K"	36.948606
"460615"	370.008306	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M-2H+K"	36.948606
"838417"	147.968506	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-2H+K"	36.948606
"1556514"	147.968506	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+K-2H"	36.948606
"944318"	156.018094	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-H+HCOOH"	44.998194
"368001"	267.038001	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+HCOOH-H"	44.998201
"349696"	281.053651	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+Hac-H"	59.013851
"1497435"	170.033751	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Hac-H"	59.013851
"967164"	178.000051	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-H+NaCOOH"	66.980151
"116071"	145.989302	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+2Cl"	69.938804
"556725"	201.499252	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+2Cl"	69.938804
"1026621"	90.479352	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2Cl"	69.938804
"1250573"	189.938785	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Br"	78.918885
"1310834"	191.994772	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Cl+HCOOH"	80.974872
"1323959"	213.976729	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Cl+NaCOOH"	102.956829
"919390"	224.005486	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M-H+CF3COOH"	112.985586
"1292090"	259.982164	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Cl+CF3COOH"	148.962264
"1373172"	76.007224	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H-2H2O"	-35.012676
"1391761"	94.0172	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H-H2O"	-17.0027
"284518"	223.047076	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+H"	1.007276
"680587"	334.066976	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+H"	1.007276
"1353657"	112.027176	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H"	1.007276
"128364"	112.027176	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+2H"	2.014552
"572666"	167.537126	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+2H"	2.014552
"1042561"	56.517226	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2H"	2.014552
"210463"	75.0205426666667	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+3H"	3.021828
"651115"	112.027176	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+3H"	3.021828
"1171424"	38.0139093333333	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+3H"	3.021828
"429229"	240.073623	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+NH4"	18.033823
"791323"	351.093523	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+NH4"	18.033823
"1688750"	129.053723	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+NH4"	18.033823
"337028"	120.5404495	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+H+NH4"	19.041099
"732730"	176.0503995	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+H+NH4"	19.041099
"1486551"	65.0304995	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H+NH4"	19.041099
"397574"	245.029018	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+Na"	22.989218
"759668"	356.048918	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+Na"	22.989218
"1611049"	134.009118	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Na"	22.989218
"317807"	123.018147	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+H+Na"	23.996494
"710228"	178.528097	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+H+Na"	23.996494
"1466235"	67.508197	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H+Na"	23.996494
"1057294"	45.3412233333333	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2H+Na"	25.00377
"1263348"	144.053386	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+CH3OH+H"	33.033486
"384111"	261.002958	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+K"	38.963158
"744016"	372.022858	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+K"	38.963158
"1544974"	149.983058	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+K"	38.963158
"303608"	131.005117	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+H+K"	39.970434
"699310"	186.515067	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+H+K"	39.970434
"1453860"	75.495167	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H+K"	39.970434
"241369"	264.073626	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+ACN+H"	42.033826
"1218454"	153.053726	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+ACN+H"	42.033826
"1201242"	77.030501	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+ACN+2H"	43.041102
"195207"	267.01096	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+2Na-H"	44.97116
"639142"	378.03086	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+2Na-H"	44.97116
"1137180"	155.99106	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2Na-H"	44.97116
"180470"	134.009118	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+2Na"	45.978436
"625498"	189.519068	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+2Na"	45.978436
"1124629"	78.499168	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2Na"	45.978436
"1405966"	52.6685373333333	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H+2Na"	46.985712
"1441362"	158.032646	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H+HCOOH"	47.012746
"224861"	139.04214	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+3H2O+2H"	56.04448
"1518026"	172.08469	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+IsoProp+H"	61.06479
"417712"	141.996088	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+Na+K"	61.952376
"776521"	197.506038	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+Na+K"	61.952376
"1667749"	86.486138	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Na+K"	61.952376
"252084"	286.055568	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+ACN+Na"	64.015768
"1227344"	175.035668	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+ACN+Na"	64.015768
"1714041"	175.059193	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+NH4+HCOOH"	64.039293
"1179274"	59.9958513333333	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+3Na"	68.967654
"1650992"	180.014588	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Na+HCOOH"	68.994688
"157856"	298.95884	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+2K-H"	76.91904
"599361"	409.97874	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+2K-H"	76.91904
"1084964"	187.93894	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2K-H"	76.91904
"141903"	149.983058	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"2M+2K"	77.926316
"581948"	205.493008	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"3M+2K"	77.926316
"1070235"	94.473108	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2K"	77.926316
"1102352"	189.953492	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2K+H"	78.933592
"1335855"	190.041107	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+DMSO+H"	79.021207
"1006413"	194.080276	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2ACN+H"	83.060376
"1525269"	195.073908	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+IsoProp+Na+H"	84.054008
"994029"	97.543776	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+2ACN+2H"	84.067652
"1588166"	195.988528	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+K+HCOOH"	84.968628
"1419661"	226.020038	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+H+CF3COOH"	115.000138
"1147760"	118.057051	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+3ACN+2H"	125.094202
"1697267"	243.046585	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+NH4+CF3COOH"	132.026685
"1634419"	248.00198	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+Na+CF3COOH"	136.98208
"1581745"	263.97592	"C19521"	"Semicarbazide hydrochloride"	"CH5N3OHCl"	"111.0199"	"M+K+CF3COOH"	152.95602
"808830"	645.7943	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M"	0
"982363"	626.77591	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-H2O-H"	-19.01839
"71699"	429.522257333333	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M-3H"	-3.021828
"514543"	644.787024	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M-3H"	-3.021828
"891252"	214.257490666667	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-3H"	-3.021828
"10922"	644.787024	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M-2H"	-2.014552
"446107"	967.684174	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M-2H"	-2.014552
"827188"	321.889874	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-2H"	-2.014552
"83901"	1290.581324	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M-H"	-1.007276
"524554"	1936.375624	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M-H"	-1.007276
"904543"	644.787024	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-H"	-1.007276
"55638"	1307.607871	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M-2H+NH4"	16.019271
"497383"	1953.402171	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M-2H+NH4"	16.019271
"874092"	661.813571	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-2H+NH4"	16.019271
"40903"	1312.563266	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M-2H+Na"	20.974666
"478275"	1958.357566	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M-2H+Na"	20.974666
"858265"	666.768966	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-2H+Na"	20.974666
"1627799"	666.768966	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Na-2H"	20.974666
"100681"	662.775363	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M-H+Cl"	33.962126
"538417"	985.672513	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M-H+Cl"	33.962126
"929384"	339.878213	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-H+Cl"	33.962126
"278152"	1326.558002	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+Cl"	34.969402
"665112"	1972.352302	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+Cl"	34.969402
"1274597"	680.763702	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Cl"	34.969402
"17883"	1328.537206	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M-2H+K"	36.948606
"465098"	1974.331506	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M-2H+K"	36.948606
"841807"	682.742906	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-2H+K"	36.948606
"1559826"	682.742906	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+K-2H"	36.948606
"949896"	690.792494	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-H+HCOOH"	44.998194
"371391"	1336.586801	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+HCOOH-H"	44.998201
"349807"	1350.602451	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+Hac-H"	59.013851
"1496451"	704.808151	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Hac-H"	59.013851
"969461"	712.774451	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-H+NaCOOH"	66.980151
"116181"	680.763702	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+2Cl"	69.938804
"553555"	1003.660852	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+2Cl"	69.938804
"1026731"	357.866552	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2Cl"	69.938804
"1250683"	724.713185	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Br"	78.918885
"1312038"	726.769172	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Cl+HCOOH"	80.974872
"1331723"	748.751129	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Cl+NaCOOH"	102.956829
"919500"	758.779886	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M-H+CF3COOH"	112.985586
"1296211"	794.756564	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Cl+CF3COOH"	148.962264
"1375469"	610.781624	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H-2H2O"	-35.012676
"1394058"	628.7916	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H-H2O"	-17.0027
"288275"	1292.595876	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+H"	1.007276
"681790"	1938.390176	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+H"	1.007276
"1357048"	646.801576	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H"	1.007276
"129204"	646.801576	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+2H"	2.014552
"571683"	969.698726	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+2H"	2.014552
"1049963"	323.904426	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2H"	2.014552
"217864"	431.536809333333	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+3H"	3.021828
"651225"	646.801576	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+3H"	3.021828
"1171537"	216.272042666667	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+3H"	3.021828
"432620"	1309.622423	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+NH4"	18.033823
"794714"	1955.416723	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+NH4"	18.033823
"1688860"	663.828123	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+NH4"	18.033823
"338232"	655.3148495	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+H+NH4"	19.041099
"730654"	978.2119995	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+H+NH4"	19.041099
"1487755"	332.4176995	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H+NH4"	19.041099
"395862"	1314.577818	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+Na"	22.989218
"759778"	1960.372118	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+Na"	22.989218
"1612253"	668.783518	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Na"	22.989218
"321197"	657.792547	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+H+Na"	23.996494
"714712"	980.689697	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+H+Na"	23.996494
"1468532"	334.895397	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H+Na"	23.996494
"1059590"	223.599356666667	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2H+Na"	25.00377
"1260541"	678.827786	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+CH3OH+H"	33.033486
"386410"	1330.551758	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+K"	38.963158
"748500"	1976.346058	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+K"	38.963158
"1548367"	684.757458	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+K"	38.963158
"306635"	665.779517	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+H+K"	39.970434
"699054"	988.676667	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+H+K"	39.970434
"1453971"	342.882367	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H+K"	39.970434
"245854"	1333.622426	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+ACN+H"	42.033826
"1216375"	687.828126	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+ACN+H"	42.033826
"1201352"	344.417701	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+ACN+2H"	43.041102
"195317"	1336.55976	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+2Na-H"	44.97116
"633783"	1982.35406	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+2Na-H"	44.97116
"1137290"	690.76546	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2Na-H"	44.97116
"180580"	668.783518	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+2Na"	45.978436
"622326"	991.680668	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+2Na"	45.978436
"1125832"	345.886368	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2Na"	45.978436
"1406075"	230.926670666667	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H+2Na"	46.985712
"1436004"	692.807046	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H+HCOOH"	47.012746
"224606"	673.81654	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+3H2O+2H"	56.04448
"1512669"	706.85909	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+IsoProp+H"	61.06479
"414542"	676.770488	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+Na+K"	61.952376
"777724"	999.667638	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+Na+K"	61.952376
"1666519"	353.873338	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Na+K"	61.952376
"254751"	1355.604368	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+ACN+Na"	64.015768
"1229643"	709.810068	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+ACN+Na"	64.015768
"1714277"	709.833593	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+NH4+HCOOH"	64.039293
"1180240"	238.253984666667	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+3Na"	68.967654
"1651103"	714.788988	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Na+HCOOH"	68.994688
"158938"	1368.50764	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+2K-H"	76.91904
"599835"	2014.30194	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+2K-H"	76.91904
"1085561"	722.71334	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2K-H"	76.91904
"142501"	684.757458	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"2M+2K"	77.926316
"582300"	1007.654608	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"3M+2K"	77.926316
"1069738"	361.860308	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2K"	77.926316
"1102827"	724.727892	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2K+H"	78.933592
"1346503"	724.815507	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+DMSO+H"	79.021207
"1008835"	728.854676	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2ACN+H"	83.060376
"1525138"	729.848308	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+IsoProp+Na+H"	84.054008
"995233"	364.930976	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+2ACN+2H"	84.067652
"1594112"	730.762928	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+K+HCOOH"	84.968628
"1421958"	760.794438	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+H+CF3COOH"	115.000138
"1148602"	385.444251	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+3ACN+2H"	125.094202
"1699976"	777.820985	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+NH4+CF3COOH"	132.026685
"1637450"	782.77638	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+Na+CF3COOH"	136.98208
"1575294"	798.75032	"C19522"	"Sepiolite"	"Mg4(OH)2(Si2O5)36H2O"	"645.7943"	"M+K+CF3COOH"	152.95602
"805660"	89.9485	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M"	0
"979193"	70.93011	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-H2O-H"	-19.01839
"66342"	58.9583906666667	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M-3H"	-3.021828
"512465"	88.941224	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M-3H"	-3.021828
"889174"	28.9755573333333	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-3H"	-3.021828
"8844"	88.941224	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M-2H"	-2.014552
"449497"	133.915474	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M-2H"	-2.014552
"825110"	43.966974	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-2H"	-2.014552
"90571"	178.889724	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M-H"	-1.007276
"525756"	268.838224	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M-H"	-1.007276
"904652"	88.941224	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-H"	-1.007276
"59029"	195.916271	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M-2H+NH4"	16.019271
"497495"	285.864771	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M-2H+NH4"	16.019271
"876387"	105.967771	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-2H+NH4"	16.019271
"35545"	200.871666	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M-2H+Na"	20.974666
"479478"	290.820166	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M-2H+Na"	20.974666
"860562"	110.923166	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-2H+Na"	20.974666
"1624628"	110.923166	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Na-2H"	20.974666
"97873"	106.929563	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M-H+Cl"	33.962126
"537797"	151.903813	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M-H+Cl"	33.962126
"930953"	61.955313	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-H+Cl"	33.962126
"278262"	214.866402	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+Cl"	34.969402
"667409"	304.814902	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+Cl"	34.969402
"1277624"	124.917902	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Cl"	34.969402
"17993"	216.845606	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M-2H+K"	36.948606
"467395"	306.794106	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M-2H+K"	36.948606
"843009"	126.897106	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-2H+K"	36.948606
"1565404"	126.897106	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+K-2H"	36.948606
"951099"	134.946694	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-H+HCOOH"	44.998194
"368221"	224.895201	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+HCOOH-H"	44.998201
"351010"	238.910851	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+Hac-H"	59.013851
"1497654"	148.962351	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Hac-H"	59.013851
"967384"	156.928651	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-H+NaCOOH"	66.980151
"115198"	124.917902	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+2Cl"	69.938804
"553665"	169.892152	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+2Cl"	69.938804
"1026841"	79.943652	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2Cl"	69.938804
"1249700"	168.867385	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Br"	78.918885
"1313241"	170.923372	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Cl+HCOOH"	80.974872
"1325273"	192.905329	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Cl+NaCOOH"	102.956829
"916330"	202.934086	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M-H+CF3COOH"	112.985586
"1296321"	238.910764	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Cl+CF3COOH"	148.962264
"1375579"	54.935824	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H-2H2O"	-35.012676
"1391981"	72.9458	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H-H2O"	-17.0027
"290572"	180.904276	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+H"	1.007276
"680807"	270.852776	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+H"	1.007276
"1357158"	90.955776	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H"	1.007276
"129314"	90.955776	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+2H"	2.014552
"576168"	135.930026	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+2H"	2.014552
"1050073"	45.981526	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2H"	2.014552
"217610"	60.9729426666667	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+3H"	3.021828
"652428"	90.955776	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+3H"	3.021828
"1170554"	30.9901093333333	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+3H"	3.021828
"432003"	197.930823	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+NH4"	18.033823
"792632"	287.879323	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+NH4"	18.033823
"1690062"	107.982323	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+NH4"	18.033823
"337249"	99.4690495	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+H+NH4"	19.041099
"728574"	144.4432995	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+H+NH4"	19.041099
"1482397"	54.4947995	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H+NH4"	19.041099
"395609"	202.886218	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+Na"	22.989218
"760981"	292.834718	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+Na"	22.989218
"1611270"	112.937718	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Na"	22.989218
"323494"	101.946747	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+H+Na"	23.996494
"712635"	146.920997	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+H+Na"	23.996494
"1467549"	56.972497	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H+Na"	23.996494
"1059700"	38.3174233333333	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2H+Na"	25.00377
"1261380"	122.981986	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+CH3OH+H"	33.033486
"387613"	218.860158	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+K"	38.963158
"748610"	308.808658	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+K"	38.963158
"1551759"	128.911658	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+K"	38.963158
"308933"	109.933717	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+H+K"	39.970434
"701352"	154.907967	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+H+K"	39.970434
"1457362"	64.959467	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H+K"	39.970434
"245964"	221.930826	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+ACN+H"	42.033826
"1218672"	131.982326	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+ACN+H"	42.033826
"1203649"	66.494801	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+ACN+2H"	43.041102
"198707"	224.86816	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+2Na-H"	44.97116
"637173"	314.81666	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+2Na-H"	44.97116
"1137398"	134.91966	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2Na-H"	44.97116
"183968"	112.937718	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+2Na"	45.978436
"622436"	157.911968	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+2Na"	45.978436
"1123754"	67.963468	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2Na"	45.978436
"1406185"	45.6447373333333	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H+2Na"	46.985712
"1441581"	136.961246	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H+HCOOH"	47.012746
"221436"	117.97074	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+3H2O+2H"	56.04448
"1510591"	151.01329	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+IsoProp+H"	61.06479
"412464"	120.924688	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+Na+K"	61.952376
"773460"	165.898938	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+Na+K"	61.952376
"1667239"	75.950438	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Na+K"	61.952376
"255226"	243.912768	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+ACN+Na"	64.015768
"1229392"	153.964268	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+ACN+Na"	64.015768
"1715362"	153.987793	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+NH4+HCOOH"	64.039293
"1180350"	52.9720513333333	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+3Na"	68.967654
"1651700"	158.943188	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Na+HCOOH"	68.994688
"158684"	256.81604	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+2K-H"	76.91904
"598000"	346.76454	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+2K-H"	76.91904
"1085556"	166.86754	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2K-H"	76.91904
"143101"	128.911658	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"2M+2K"	77.926316
"584850"	173.885908	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"3M+2K"	77.926316
"1072643"	83.937408	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2K"	77.926316
"1103667"	168.882092	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2K+H"	78.933592
"1345520"	168.969707	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+DMSO+H"	79.021207
"1008581"	173.008876	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2ACN+H"	83.060376
"1527801"	174.002508	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+IsoProp+Na+H"	84.054008
"998623"	87.008076	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+2ACN+2H"	84.067652
"1593128"	174.917128	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+K+HCOOH"	84.968628
"1418787"	204.948638	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+H+CF3COOH"	115.000138
"1149078"	107.521351	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+3ACN+2H"	125.094202
"1698991"	221.975185	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+NH4+CF3COOH"	132.026685
"1637560"	226.93058	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+Na+CF3COOH"	136.98208
"1575404"	242.90452	"C19523"	"Sodium chlorite;Textone"	"NaClO2"	"89.9485"	"M+K+CF3COOH"	152.95602
"802490"	100.016	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M"	0
"976022"	80.99761	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-H2O-H"	-19.01839
"66452"	65.6700573333333	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M-3H"	-3.021828
"510388"	99.008724	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M-3H"	-3.021828
"887097"	32.3313906666667	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-3H"	-3.021828
"5673"	99.008724	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M-2H"	-2.014552
"448513"	149.016724	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M-2H"	-2.014552
"824126"	49.000724	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-2H"	-2.014552
"91774"	199.024724	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M-H"	-1.007276
"523681"	299.040724	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M-H"	-1.007276
"903669"	99.008724	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-H"	-1.007276
"59138"	216.051271	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M-2H+NH4"	16.019271
"498698"	316.067271	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M-2H+NH4"	16.019271
"873218"	116.035271	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-2H+NH4"	16.019271
"38933"	221.006666	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M-2H+Na"	20.974666
"479589"	321.022666	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M-2H+Na"	20.974666
"859579"	120.990666	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-2H+Na"	20.974666
"1624738"	120.990666	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Na-2H"	20.974666
"97253"	116.997063	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M-H+Cl"	33.962126
"534377"	167.005063	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M-H+Cl"	33.962126
"929239"	66.989063	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-H+Cl"	33.962126
"277278"	235.001402	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+Cl"	34.969402
"662415"	335.017402	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+Cl"	34.969402
"1274575"	134.985402	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Cl"	34.969402
"17009"	236.980606	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M-2H+K"	36.948606
"458757"	336.996606	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M-2H+K"	36.948606
"835464"	136.964606	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-2H+K"	36.948606
"1560046"	136.964606	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+K-2H"	36.948606
"944648"	145.014194	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-H+HCOOH"	44.998194
"362133"	245.030201	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+HCOOH-H"	44.998201
"346868"	259.045851	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+Hac-H"	59.013851
"1493875"	159.029851	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Hac-H"	59.013851
"962027"	166.996151	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-H+NaCOOH"	66.980151
"115308"	134.985402	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+2Cl"	69.938804
"553775"	184.993402	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+2Cl"	69.938804
"1026951"	84.977402	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2Cl"	69.938804
"1249810"	178.934885	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Br"	78.918885
"1310071"	180.990872	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Cl+HCOOH"	80.974872
"1324290"	202.972829	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Cl+NaCOOH"	102.956829
"913524"	213.001586	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M-H+CF3COOH"	112.985586
"1297524"	248.978264	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Cl+CF3COOH"	148.962264
"1376782"	65.003324	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H-2H2O"	-35.012676
"1392091"	83.0133	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H-H2O"	-17.0027
"289589"	201.039276	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+H"	1.007276
"680917"	301.055276	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+H"	1.007276
"1357268"	101.023276	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H"	1.007276
"128331"	101.023276	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+2H"	2.014552
"576278"	151.031276	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+2H"	2.014552
"1051154"	51.015276	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2H"	2.014552
"216260"	67.6846093333333	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+3H"	3.021828
"651445"	101.023276	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+3H"	3.021828
"1170664"	34.3459426666667	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+3H"	3.021828
"433935"	218.065823	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+NH4"	18.033823
"793836"	318.081823	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+NH4"	18.033823
"1689079"	118.049823	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+NH4"	18.033823
"336263"	109.5365495	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+H+NH4"	19.041099
"729410"	159.5445495	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+H+NH4"	19.041099
"1481773"	59.5285495	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H+NH4"	19.041099
"396445"	223.021218	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+Na"	22.989218
"762184"	323.037218	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+Na"	22.989218
"1610287"	123.005218	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Na"	22.989218
"322511"	112.014247	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+H+Na"	23.996494
"713839"	162.022247	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+H+Na"	23.996494
"1467659"	62.006247	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H+Na"	23.996494
"1058717"	41.6732566666667	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2H+Na"	25.00377
"1263677"	133.049486	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+CH3OH+H"	33.033486
"385537"	238.995158	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+K"	38.963158
"748721"	339.011158	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+K"	38.963158
"1550775"	138.979158	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+K"	38.963158
"310137"	120.001217	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+H+K"	39.970434
"700369"	170.009217	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+H+K"	39.970434
"1457472"	69.993217	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H+K"	39.970434
"246074"	242.065826	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+ACN+H"	42.033826
"1217689"	142.049826	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+ACN+H"	42.033826
"1202666"	71.528551	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+ACN+2H"	43.041102
"198817"	245.00316	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+2Na-H"	44.97116
"635097"	345.01916	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+2Na-H"	44.97116
"1137508"	144.98716	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2Na-H"	44.97116
"184078"	123.005218	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+2Na"	45.978436
"619266"	173.013218	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+2Na"	45.978436
"1122771"	72.997218	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2Na"	45.978436
"1406295"	49.0005706666667	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H+2Na"	46.985712
"1438411"	147.028746	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H+HCOOH"	47.012746
"222031"	128.03824	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+3H2O+2H"	56.04448
"1511066"	161.08079	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+IsoProp+H"	61.06479
"412939"	130.992188	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+Na+K"	61.952376
"774662"	181.000188	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+Na+K"	61.952376
"1667350"	80.984188	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Na+K"	61.952376
"254967"	264.047768	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+ACN+Na"	64.015768
"1228043"	164.031768	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+ACN+Na"	64.015768
"1718023"	164.055293	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+NH4+HCOOH"	64.039293
"1181919"	56.3278846666667	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+3Na"	68.967654
"1650099"	169.010688	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Na+HCOOH"	68.994688
"158066"	276.95104	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+2K-H"	76.91904
"597382"	376.96704	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+2K-H"	76.91904
"1085058"	176.93504	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2K-H"	76.91904
"142118"	138.979158	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"2M+2K"	77.926316
"586053"	188.987158	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"3M+2K"	77.926316
"1069837"	88.971158	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2K"	77.926316
"1102683"	178.949592	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2K+H"	78.933592
"1344537"	179.037207	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+DMSO+H"	79.021207
"1008691"	183.076376	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2ACN+H"	83.060376
"1524995"	184.070008	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+IsoProp+Na+H"	84.054008
"997640"	92.041826	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+2ACN+2H"	84.067652
"1593238"	184.984628	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+K+HCOOH"	84.968628
"1417804"	215.016138	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+H+CF3COOH"	115.000138
"1149552"	112.555101	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+3ACN+2H"	125.094202
"1699832"	232.042685	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+NH4+CF3COOH"	132.026685
"1637670"	236.99808	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+Na+CF3COOH"	136.98208
"1576607"	252.97202	"C19524"	"Succinic anhydride;Dihydro-25-furandione"	"C4H4O3"	"100.016"	"M+K+CF3COOH"	152.95602
"815970"	248.095	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M"	0
"988528"	229.07661	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-H2O-H"	-19.01839
"77498"	164.389390666667	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M-3H"	-3.021828
"515966"	247.087724	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M-3H"	-3.021828
"888302"	81.6910573333333	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-3H"	-3.021828
"13439"	247.087724	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M-2H"	-2.014552
"451905"	371.135224	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M-2H"	-2.014552
"829706"	123.040224	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-2H"	-2.014552
"90792"	495.182724	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M-H"	-1.007276
"525977"	743.277724	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M-H"	-1.007276
"903779"	247.087724	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-H"	-1.007276
"58153"	512.209271	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M-2H+NH4"	16.019271
"497714"	760.304271	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M-2H+NH4"	16.019271
"873328"	264.114271	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-2H+NH4"	16.019271
"40138"	517.164666	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M-2H+Na"	20.974666
"484072"	765.259666	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M-2H+Na"	20.974666
"863455"	269.069666	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-2H+Na"	20.974666
"1625212"	269.069666	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Na-2H"	20.974666
"97367"	265.076063	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M-H+Cl"	33.962126
"539477"	389.123563	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M-H+Cl"	33.962126
"930805"	141.028563	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-H+Cl"	33.962126
"275202"	531.159402	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+Cl"	34.969402
"661431"	779.254402	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+Cl"	34.969402
"1274564"	283.064402	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Cl"	34.969402
"19304"	533.138606	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M-2H+K"	36.948606
"459961"	781.233606	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M-2H+K"	36.948606
"837762"	285.043606	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-2H+K"	36.948606
"1559062"	285.043606	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+K-2H"	36.948606
"944759"	293.093194	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-H+HCOOH"	44.998194
"362241"	541.188201	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+HCOOH-H"	44.998201
"347948"	555.203851	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+Hac-H"	59.013851
"1500062"	307.108851	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Hac-H"	59.013851
"971979"	315.075151	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-H+NaCOOH"	66.980151
"116511"	283.064402	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+2Cl"	69.938804
"558257"	407.111902	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+2Cl"	69.938804
"1027061"	159.016902	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2Cl"	69.938804
"1249920"	327.013885	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Br"	78.918885
"1311274"	329.069872	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Cl+HCOOH"	80.974872
"1321848"	351.051829	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Cl+NaCOOH"	102.956829
"912176"	361.080586	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M-H+CF3COOH"	112.985586
"1292167"	397.057264	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Cl+CF3COOH"	148.962264
"1380172"	213.082324	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H-2H2O"	-35.012676
"1397914"	231.0923	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H-H2O"	-17.0027
"290793"	497.197276	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+H"	1.007276
"683213"	745.292276	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+H"	1.007276
"1356284"	249.102276	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H"	1.007276
"130263"	249.102276	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+2H"	2.014552
"575294"	373.149776	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+2H"	2.014552
"1051628"	125.054776	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2H"	2.014552
"213090"	166.403942666667	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+3H"	3.021828
"654834"	249.102276	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+3H"	3.021828
"1174052"	83.7056093333333	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+3H"	3.021828
"436230"	514.223823	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+NH4"	18.033823
"792850"	762.318823	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+NH4"	18.033823
"1692465"	266.128823	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+NH4"	18.033823
"337465"	257.6155495	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+H+NH4"	19.041099
"728791"	381.6630495	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+H+NH4"	19.041099
"1484797"	133.5680495	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H+NH4"	19.041099
"395094"	519.179218	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+Na"	22.989218
"755487"	767.274218	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+Na"	22.989218
"1612581"	271.084218	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Na"	22.989218
"321527"	260.093247	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+H+Na"	23.996494
"718321"	384.140747	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+H+Na"	23.996494
"1467769"	136.045747	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H+Na"	23.996494
"1058827"	91.0329233333333	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2H+Na"	25.00377
"1262693"	281.128486	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+CH3OH+H"	33.033486
"385646"	535.153158	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+K"	38.963158
"747738"	783.248158	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+K"	38.963158
"1548700"	287.058158	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+K"	38.963158
"309155"	268.080217	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+H+K"	39.970434
"699387"	392.127717	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+H+K"	39.970434
"1455396"	144.032717	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H+K"	39.970434
"246914"	538.223826	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+ACN+H"	42.033826
"1217799"	290.128826	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+ACN+H"	42.033826
"1202776"	145.568051	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+ACN+2H"	43.041102
"198927"	541.16116	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+2Na-H"	44.97116
"633020"	789.25616	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+2Na-H"	44.97116
"1134701"	293.06616	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2Na-H"	44.97116
"176531"	271.084218	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+2Na"	45.978436
"616821"	395.131718	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+2Na"	45.978436
"1119232"	147.036718	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2Na"	45.978436
"1403489"	98.3602373333333	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H+2Na"	46.985712
"1433052"	295.107746	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H+HCOOH"	47.012746
"223115"	276.11724	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+3H2O+2H"	56.04448
"1510812"	309.15979	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+IsoProp+H"	61.06479
"408794"	279.071188	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+Na+K"	61.952376
"775140"	403.118688	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+Na+K"	61.952376
"1668917"	155.023688	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Na+K"	61.952376
"255077"	560.205768	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+ACN+Na"	64.015768
"1229611"	312.110768	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+ACN+Na"	64.015768
"1716674"	312.134293	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+NH4+HCOOH"	64.039293
"1182761"	105.687551333333	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+3Na"	68.967654
"1652655"	317.089688	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Na+HCOOH"	68.994688
"165714"	573.10904	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+2K-H"	76.91904
"598713"	821.20404	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+2K-H"	76.91904
"1094161"	325.01404	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2K-H"	76.91904
"146603"	287.058158	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"2M+2K"	77.926316
"585070"	411.105658	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"3M+2K"	77.926316
"1073956"	163.010658	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2K"	77.926316
"1102793"	327.028592	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2K+H"	78.933592
"1341365"	327.116207	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+DMSO+H"	79.021207
"1010988"	331.155376	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2ACN+H"	83.060376
"1526927"	332.149008	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+IsoProp+Na+H"	84.054008
"994469"	166.081326	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+2ACN+2H"	84.067652
"1591158"	333.063628	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+K+HCOOH"	84.968628
"1417911"	363.095138	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+H+CF3COOH"	115.000138
"1148568"	186.594601	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+3ACN+2H"	125.094202
"1697996"	380.121685	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+NH4+CF3COOH"	132.026685
"1634497"	385.07708	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+Na+CF3COOH"	136.98208
"1582185"	401.05102	"C19525"	"Sudan I;CI Solvent Yellow 14"	"C16H12N2O"	"248.095"	"M+K+CF3COOH"	152.95602
"802831"	276.1263	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M"	0
"982805"	257.10791	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-H2O-H"	-19.01839
"66673"	183.076924	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M-3H"	-3.021828
"514982"	275.119024	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M-3H"	-3.021828
"889507"	91.034824	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-3H"	-3.021828
"13185"	275.119024	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M-2H"	-2.014552
"452015"	413.182174	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M-2H"	-2.014552
"830909"	137.055874	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-2H"	-2.014552
"89808"	551.245324	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M-H"	-1.007276
"524265"	827.371624	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M-H"	-1.007276
"908142"	275.119024	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-H"	-1.007276
"57168"	568.271871	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M-2H+NH4"	16.019271
"496730"	844.398171	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M-2H+NH4"	16.019271
"874531"	292.145571	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-2H+NH4"	16.019271
"40248"	573.227266	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M-2H+Na"	20.974666
"481994"	849.353566	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M-2H+Na"	20.974666
"856152"	297.100966	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-2H+Na"	20.974666
"1622770"	297.100966	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Na-2H"	20.974666
"101489"	293.107363	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M-H+Cl"	33.962126
"537401"	431.170513	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M-H+Cl"	33.962126
"929457"	155.044213	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-H+Cl"	33.962126
"278592"	587.222002	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+Cl"	34.969402
"660932"	863.348302	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+Cl"	34.969402
"1274064"	311.095702	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Cl"	34.969402
"16620"	589.201206	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M-2H+K"	36.948606
"462258"	865.327506	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M-2H+K"	36.948606
"836779"	313.074906	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-2H+K"	36.948606
"1560267"	313.074906	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+K-2H"	36.948606
"945962"	321.124494	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-H+HCOOH"	44.998194
"361990"	597.250801	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+HCOOH-H"	44.998201
"347086"	611.266451	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+Hac-H"	59.013851
"1497984"	335.140151	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Hac-H"	59.013851
"967714"	343.106451	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-H+NaCOOH"	66.980151
"118807"	311.095702	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+2Cl"	69.938804
"556180"	449.158852	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+2Cl"	69.938804
"1024255"	173.032552	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2Cl"	69.938804
"1247843"	355.045185	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Br"	78.918885
"1305552"	357.101172	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Cl+HCOOH"	80.974872
"1320011"	379.083129	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Cl+NaCOOH"	102.956829
"913744"	389.111886	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M-H+CF3COOH"	112.985586
"1291184"	425.088564	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Cl+CF3COOH"	148.962264
"1373721"	241.113624	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H-2H2O"	-35.012676
"1392311"	259.1236	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H-H2O"	-17.0027
"288715"	553.259876	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+H"	1.007276
"680042"	829.386176	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+H"	1.007276
"1355299"	277.133576	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H"	1.007276
"128185"	277.133576	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+2H"	2.014552
"573216"	415.196726	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+2H"	2.014552
"1045297"	139.070426	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2H"	2.014552
"213200"	185.091476	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+3H"	3.021828
"657133"	277.133576	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+3H"	3.021828
"1174162"	93.049376	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+3H"	3.021828
"435247"	570.286423	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+NH4"	18.033823
"789680"	846.412723	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+NH4"	18.033823
"1688201"	294.160123	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+NH4"	18.033823
"339761"	285.6468495	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+H+NH4"	19.041099
"727808"	423.7099995	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+H+NH4"	19.041099
"1481628"	147.5836995	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H+NH4"	19.041099
"396298"	575.241818	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+Na"	22.989218
"756197"	851.368118	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+Na"	22.989218
"1604658"	299.115518	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Na"	22.989218
"315664"	288.124547	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+H+Na"	23.996494
"711132"	426.187697	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+H+Na"	23.996494
"1466785"	150.061397	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H+Na"	23.996494
"1055656"	100.37669	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2H+Na"	25.00377
"1260615"	309.159786	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+CH3OH+H"	33.033486
"386849"	591.215758	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+K"	38.963158
"750035"	867.342058	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+K"	38.963158
"1549904"	315.089458	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+K"	38.963158
"311087"	296.111517	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+H+K"	39.970434
"700590"	434.174667	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+H+K"	39.970434
"1456599"	158.048367	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H+K"	39.970434
"240826"	594.286426	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+ACN+H"	42.033826
"1217909"	318.160126	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+ACN+H"	42.033826
"1202886"	159.583701	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+ACN+2H"	43.041102
"195757"	597.22376	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+2Na-H"	44.97116
"633130"	873.35006	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+2Na-H"	44.97116
"1136636"	321.09746	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2Na-H"	44.97116
"177737"	299.115518	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+2Na"	45.978436
"615839"	437.178668	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+2Na"	45.978436
"1121168"	161.052368	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2Na"	45.978436
"1405421"	107.704004	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H+2Na"	46.985712
"1434984"	323.139046	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H+HCOOH"	47.012746
"223222"	304.14854	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+3H2O+2H"	56.04448
"1515297"	337.19109	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+IsoProp+H"	61.06479
"409149"	307.102488	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+Na+K"	61.952376
"776343"	445.165638	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+Na+K"	61.952376
"1669027"	169.039338	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Na+K"	61.952376
"252636"	616.268368	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+ACN+Na"	64.015768
"1229721"	340.142068	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+ACN+Na"	64.015768
"1716784"	340.165593	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+NH4+HCOOH"	64.039293
"1181778"	115.031318	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+3Na"	68.967654
"1653495"	345.120988	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Na+HCOOH"	68.994688
"163637"	629.17164	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+2K-H"	76.91904
"599187"	905.29794	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+2K-H"	76.91904
"1094272"	353.04534	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2K-H"	76.91904
"147806"	315.089458	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"2M+2K"	77.926316
"584087"	453.152608	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"3M+2K"	77.926316
"1071879"	177.026308	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2K"	77.926316
"1102903"	355.059892	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2K+H"	78.933592
"1343662"	355.147507	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+DMSO+H"	79.021207
"1008912"	359.186676	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2ACN+H"	83.060376
"1530316"	360.180308	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+IsoProp+Na+H"	84.054008
"992391"	180.096976	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+2ACN+2H"	84.067652
"1590175"	361.094928	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+K+HCOOH"	84.968628
"1418022"	391.126438	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+H+CF3COOH"	115.000138
"1147949"	200.610251	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+3ACN+2H"	125.094202
"1698593"	408.152985	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+NH4+CF3COOH"	132.026685
"1634971"	413.10838	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+Na+CF3COOH"	136.98208
"1582295"	429.08232	"C19526"	"Sudan II;CI Solvent Orange 7"	"C18H16N2O"	"276.1263"	"M+K+CF3COOH"	152.95602
"811568"	352.1324	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M"	0
"985103"	333.11401	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-H2O-H"	-19.01839
"67878"	233.747657333333	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M-3H"	-3.021828
"511812"	351.125124	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M-3H"	-3.021828
"894597"	116.370190666667	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-3H"	-3.021828
"15037"	351.125124	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M-2H"	-2.014552
"452124"	527.191324	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M-2H"	-2.014552
"830534"	175.058924	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-2H"	-2.014552
"92349"	703.257524	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M-H"	-1.007276
"532275"	1055.389924	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M-H"	-1.007276
"908010"	351.125124	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-H"	-1.007276
"58372"	720.284071	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M-2H+NH4"	16.019271
"500971"	1072.416471	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M-2H+NH4"	16.019271
"875734"	368.151671	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-2H+NH4"	16.019271
"42543"	725.239466	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M-2H+Na"	20.974666
"482102"	1077.371866	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M-2H+Na"	20.974666
"859906"	373.107066	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-2H+Na"	20.974666
"1628349"	373.107066	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Na-2H"	20.974666
"104879"	369.113463	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M-H+Cl"	33.962126
"541158"	545.179663	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M-H+Cl"	33.962126
"932848"	193.047263	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-H+Cl"	33.962126
"278702"	739.234202	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+Cl"	34.969402
"667850"	1091.366602	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+Cl"	34.969402
"1281346"	387.101802	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Cl"	34.969402
"23902"	741.213406	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M-2H+K"	36.948606
"464556"	1093.345806	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M-2H+K"	36.948606
"842357"	389.081006	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-2H+K"	36.948606
"1562564"	389.081006	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+K-2H"	36.948606
"950446"	397.130594	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-H+HCOOH"	44.998194
"368661"	749.263001	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+HCOOH-H"	44.998201
"350356"	763.278651	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+Hac-H"	59.013851
"1498094"	411.146251	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Hac-H"	59.013851
"970012"	419.112551	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-H+NaCOOH"	66.980151
"116730"	387.101802	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+2Cl"	69.938804
"556290"	563.168002	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+2Cl"	69.938804
"1027281"	211.035602	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2Cl"	69.938804
"1250140"	431.051285	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Br"	78.918885
"1306390"	433.107272	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Cl+HCOOH"	80.974872
"1324620"	455.089229	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Cl+NaCOOH"	102.956829
"913124"	465.117986	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M-H+CF3COOH"	112.985586
"1291294"	501.094664	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Cl+CF3COOH"	148.962264
"1374924"	317.119724	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H-2H2O"	-35.012676
"1397890"	335.1297	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H-H2O"	-17.0027
"292106"	705.272076	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+H"	1.007276
"680152"	1057.404476	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+H"	1.007276
"1360879"	353.139676	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H"	1.007276
"130485"	353.139676	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+2H"	2.014552
"572234"	529.205876	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+2H"	2.014552
"1048689"	177.073476	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2H"	2.014552
"213310"	235.762209333333	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+3H"	3.021828
"656515"	353.139676	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+3H"	3.021828
"1174275"	118.384742666667	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+3H"	3.021828
"434266"	722.298623	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+NH4"	18.033823
"794166"	1074.431023	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+NH4"	18.033823
"1690501"	370.166223	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+NH4"	18.033823
"338779"	361.6529495	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+H+NH4"	19.041099
"726825"	537.7191495	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+H+NH4"	19.041099
"1481739"	185.5867495	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H+NH4"	19.041099
"394949"	727.254018	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+Na"	22.989218
"757399"	1079.386418	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+Na"	22.989218
"1604163"	375.121618	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Na"	22.989218
"315297"	364.130647	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+H+Na"	23.996494
"708206"	540.196847	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+H+Na"	23.996494
"1464708"	188.064447	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H+Na"	23.996494
"1059047"	125.712056666667	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2H+Na"	25.00377
"1261089"	385.165886	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+CH3OH+H"	33.033486
"387688"	743.227958	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+K"	38.963158
"752329"	1095.360358	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+K"	38.963158
"1552924"	391.095558	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+K"	38.963158
"309371"	372.117617	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+H+K"	39.970434
"701791"	548.183817	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+H+K"	39.970434
"1452331"	196.051417	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H+K"	39.970434
"240935"	746.298626	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+ACN+H"	42.033826
"1211091"	394.166226	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+ACN+H"	42.033826
"1204089"	197.586751	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+ACN+2H"	43.041102
"190763"	749.23596	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+2Na-H"	44.97116
"631051"	1101.36836	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+2Na-H"	44.97116
"1135652"	397.10356	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2Na-H"	44.97116
"175295"	375.121618	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+2Na"	45.978436
"615950"	551.187818	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+2Na"	45.978436
"1118726"	199.055418	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2Na"	45.978436
"1402979"	133.039370666667	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H+2Na"	46.985712
"1433272"	399.145146	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H+HCOOH"	47.012746
"221874"	380.15464	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+3H2O+2H"	56.04448
"1515407"	413.19719	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+IsoProp+H"	61.06479
"412906"	383.108588	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+Na+K"	61.952376
"775359"	559.174788	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+Na+K"	61.952376
"1668409"	207.042388	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Na+K"	61.952376
"255298"	768.280568	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+ACN+Na"	64.015768
"1230561"	416.148168	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+ACN+Na"	64.015768
"1719447"	416.171693	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+NH4+HCOOH"	64.039293
"1181883"	140.366684666667	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+3Na"	68.967654
"1653234"	421.127088	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Na+HCOOH"	68.994688
"161556"	781.18384	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+2K-H"	76.91904
"605493"	1133.31624	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+2K-H"	76.91904
"1086725"	429.05144	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2K-H"	76.91904
"145730"	391.095558	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"2M+2K"	77.926316
"583102"	567.161758	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"3M+2K"	77.926316
"1071989"	215.029358	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2K"	77.926316
"1107385"	431.065992	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2K+H"	78.933592
"1344864"	431.153607	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+DMSO+H"	79.021207
"1009019"	435.192776	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2ACN+H"	83.060376
"1528238"	436.186408	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+IsoProp+Na+H"	84.054008
"997969"	218.100026	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+2ACN+2H"	84.067652
"1592473"	437.101028	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+K+HCOOH"	84.968628
"1419226"	467.132538	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+H+CF3COOH"	115.000138
"1149518"	238.613301	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+3ACN+2H"	125.094202
"1698700"	484.159085	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+NH4+CF3COOH"	132.026685
"1635813"	489.11448	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+Na+CF3COOH"	136.98208
"1576937"	505.08842	"C19527"	"Sudan III;CI Solvent Red 23"	"C22H16N4O"	"352.1324"	"M+K+CF3COOH"	152.95602
"803658"	262.1218	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M"	0
"976828"	243.10341	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-H2O-H"	-19.01839
"69080"	173.740590666667	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M-3H"	-3.021828
"511922"	261.114524	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M-3H"	-3.021828
"890819"	86.3666573333333	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-3H"	-3.021828
"13769"	261.114524	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M-2H"	-2.014552
"450048"	392.175424	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M-2H"	-2.014552
"827847"	130.053624	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-2H"	-2.014552
"91123"	523.236324	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M-H"	-1.007276
"527403"	785.358124	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M-H"	-1.007276
"905201"	261.114524	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-H"	-1.007276
"51921"	540.262871	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M-2H+NH4"	16.019271
"494761"	802.384671	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M-2H+NH4"	16.019271
"867094"	278.141071	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-2H+NH4"	16.019271
"33535"	545.218266	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M-2H+Na"	20.974666
"473584"	807.340066	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M-2H+Na"	20.974666
"854546"	283.096466	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-2H+Na"	20.974666
"1622988"	283.096466	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Na-2H"	20.974666
"100615"	279.102863	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M-H+Cl"	33.962126
"535675"	410.163763	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M-H+Cl"	33.962126
"928949"	148.041963	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-H+Cl"	33.962126
"281244"	559.213002	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+Cl"	34.969402
"667960"	821.334802	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+Cl"	34.969402
"1278176"	297.091202	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Cl"	34.969402
"19638"	561.192206	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M-2H+K"	36.948606
"465759"	823.314006	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M-2H+K"	36.948606
"841373"	299.070406	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-2H+K"	36.948606
"1563766"	299.070406	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+K-2H"	36.948606
"952742"	307.119994	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-H+HCOOH"	44.998194
"368771"	569.241801	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+HCOOH-H"	44.998201
"352653"	583.257451	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+Hac-H"	59.013851
"1498204"	321.135651	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Hac-H"	59.013851
"967935"	329.101951	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-H+NaCOOH"	66.980151
"116840"	297.091202	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+2Cl"	69.938804
"556400"	428.152102	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+2Cl"	69.938804
"1029576"	166.030302	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2Cl"	69.938804
"1245146"	341.040685	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Br"	78.918885
"1306863"	343.096672	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Cl+HCOOH"	80.974872
"1324730"	365.078629	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Cl+NaCOOH"	102.956829
"912139"	375.107386	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M-H+CF3COOH"	112.985586
"1294684"	411.084064	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Cl+CF3COOH"	148.962264
"1372848"	227.109124	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H-2H2O"	-35.012676
"1397878"	245.1191	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H-H2O"	-17.0027
"291123"	525.250876	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+H"	1.007276
"678439"	787.372676	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+H"	1.007276
"1364269"	263.129076	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H"	1.007276
"130595"	263.129076	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+2H"	2.014552
"573437"	394.189976	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+2H"	2.014552
"1044425"	132.068176	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2H"	2.014552
"211233"	175.755142666667	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+3H"	3.021828
"650062"	263.129076	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+3H"	3.021828
"1173293"	88.3812093333333	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+3H"	3.021828
"432189"	542.277423	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+NH4"	18.033823
"790996"	804.399223	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+NH4"	18.033823
"1688422"	280.155623	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+NH4"	18.033823
"336701"	271.6423495	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+H+NH4"	19.041099
"726935"	402.7032495	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+H+NH4"	19.041099
"1480755"	140.5814495	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H+NH4"	19.041099
"394573"	547.232818	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+Na"	22.989218
"756415"	809.354618	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+Na"	22.989218
"1604515"	285.111018	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Na"	22.989218
"315767"	274.120047	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+H+Na"	23.996494
"708802"	405.180947	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+H+Na"	23.996494
"1464818"	143.059147	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H+Na"	23.996494
"1058064"	95.7085233333333	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2H+Na"	25.00377
"1261928"	295.155286	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+CH3OH+H"	33.033486
"384881"	563.206758	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+K"	38.963158
"751345"	825.328558	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+K"	38.963158
"1547927"	301.084958	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+K"	38.963158
"306199"	282.107017	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+H+K"	39.970434
"697527"	413.167917	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+H+K"	39.970434
"1451712"	151.046117	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H+K"	39.970434
"241042"	566.277426	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+ACN+H"	42.033826
"1210834"	304.155626	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+ACN+H"	42.033826
"1198001"	152.581451	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+ACN+2H"	43.041102
"191965"	569.21476	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+2Na-H"	44.97116
"630797"	831.33656	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+2Na-H"	44.97116
"1134299"	307.09296	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2Na-H"	44.97116
"177592"	285.111018	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+2Na"	45.978436
"616060"	416.171918	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+2Na"	45.978436
"1120294"	154.050118	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2Na"	45.978436
"1401995"	103.035837333333	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H+2Na"	46.985712
"1434476"	309.134546	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H+HCOOH"	47.012746
"222713"	290.14404	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+3H2O+2H"	56.04448
"1513330"	323.18659	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+IsoProp+H"	61.06479
"414109"	293.097988	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+Na+K"	61.952376
"777656"	424.158888	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+Na+K"	61.952376
"1669612"	162.037088	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Na+K"	61.952376
"255409"	588.259368	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+ACN+Na"	64.015768
"1231765"	326.137568	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+ACN+Na"	64.015768
"1719557"	326.161093	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+NH4+HCOOH"	64.039293
"1180900"	110.363151333333	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+3Na"	68.967654
"1652251"	331.116488	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Na+HCOOH"	68.994688
"160573"	601.16264	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+2K-H"	76.91904
"605603"	863.28444	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+2K-H"	76.91904
"1087928"	339.04084	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2K-H"	76.91904
"144747"	301.084958	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"2M+2K"	77.926316
"583213"	432.145858	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"3M+2K"	77.926316
"1075379"	170.024058	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2K"	77.926316
"1109682"	341.055392	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2K+H"	78.933592
"1343880"	341.143007	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+DMSO+H"	79.021207
"1009495"	345.182176	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2ACN+H"	83.060376
"1528348"	346.175808	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+IsoProp+Na+H"	84.054008
"993703"	173.094726	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+2ACN+2H"	84.067652
"1590397"	347.090428	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+K+HCOOH"	84.968628
"1418242"	377.121938	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+H+CF3COOH"	115.000138
"1148534"	193.608001	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+3ACN+2H"	125.094202
"1698811"	394.148485	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+NH4+CF3COOH"	132.026685
"1637016"	399.10388	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+Na+CF3COOH"	136.98208
"1575954"	415.07782	"C19528"	"Sudan Brown RR;CI 11285;4-2-(1-Naphthalenyl)diazenyl-13-benzenediamine"	"C16H14N4"	"262.1218"	"M+K+CF3COOH"	152.95602
"803040"	379.1797	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M"	0
"977667"	360.16131	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-H2O-H"	-19.01839
"65909"	251.779190666667	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M-3H"	-3.021828
"513127"	378.172424	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M-3H"	-3.021828
"893116"	125.385957333333	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-3H"	-3.021828
"10597"	378.172424	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M-2H"	-2.014552
"450156"	567.762274	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M-2H"	-2.014552
"827957"	188.582574	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-2H"	-2.014552
"89047"	757.352124	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M-H"	-1.007276
"530793"	1136.531824	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M-H"	-1.007276
"903125"	378.172424	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-H"	-1.007276
"50938"	774.378671	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M-2H+NH4"	16.019271
"489402"	1153.558371	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M-2H+NH4"	16.019271
"869393"	395.198971	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-2H+NH4"	16.019271
"34012"	779.334066	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M-2H+Na"	20.974666
"476855"	1158.513766	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M-2H+Na"	20.974666
"854658"	400.154366	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-2H+Na"	20.974666
"1620183"	400.154366	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Na-2H"	20.974666
"99632"	396.160763	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M-H+Cl"	33.962126
"534361"	585.750613	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M-H+Cl"	33.962126
"927480"	206.570913	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-H+Cl"	33.962126
"281110"	793.328802	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+Cl"	34.969402
"665879"	1172.508502	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+Cl"	34.969402
"1279379"	414.149102	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Cl"	34.969402
"25214"	795.308006	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M-2H+K"	36.948606
"465867"	1174.487706	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M-2H+K"	36.948606
"838201"	416.128306	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-2H+K"	36.948606
"1563876"	416.128306	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+K-2H"	36.948606
"952852"	424.177894	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-H+HCOOH"	44.998194
"373255"	803.357601	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+HCOOH-H"	44.998201
"357138"	817.373251	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+Hac-H"	59.013851
"1504511"	438.193551	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Hac-H"	59.013851
"966952"	446.159851	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-H+NaCOOH"	66.980151
"120233"	414.149102	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+2Cl"	69.938804
"555418"	603.738952	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+2Cl"	69.938804
"1029685"	224.559252	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2Cl"	69.938804
"1247078"	458.098585	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Br"	78.918885
"1307339"	460.154572	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Cl+HCOOH"	80.974872
"1320464"	482.136529	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Cl+NaCOOH"	102.956829
"912979"	492.165286	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M-H+CF3COOH"	112.985586
"1290419"	528.141964	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Cl+CF3COOH"	148.962264
"1372958"	344.167024	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H-2H2O"	-35.012676
"1392641"	362.177	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H-H2O"	-17.0027
"292326"	759.366676	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+H"	1.007276
"678549"	1138.546376	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+H"	1.007276
"1362191"	380.186976	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H"	1.007276
"132892"	380.186976	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+2H"	2.014552
"569172"	569.776826	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+2H"	2.014552
"1042349"	190.597126	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2H"	2.014552
"210249"	253.793742666667	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+3H"	3.021828
"650900"	380.186976	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+3H"	3.021828
"1171216"	127.400509333333	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+3H"	3.021828
"430114"	776.393223	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+NH4"	18.033823
"791106"	1155.572923	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+NH4"	18.033823
"1686346"	397.213523	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+NH4"	18.033823
"334625"	388.7002495	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+H+NH4"	19.041099
"727045"	578.2900995	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+H+NH4"	19.041099
"1478678"	199.1103995	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H+NH4"	19.041099
"393347"	781.348618	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+Na"	22.989218
"755799"	1160.528318	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+Na"	22.989218
"1604016"	402.168918	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Na"	22.989218
"314904"	391.177947	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+H+Na"	23.996494
"707939"	580.767797	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+H+Na"	23.996494
"1463835"	201.588097	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H+Na"	23.996494
"1058174"	134.727823333333	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2H+Na"	25.00377
"1262038"	412.213186	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+CH3OH+H"	33.033486
"382804"	797.322558	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+K"	38.963158
"751091"	1176.502258	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+K"	38.963158
"1548037"	418.142858	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+K"	38.963158
"308494"	399.164917	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+H+K"	39.970434
"700916"	588.754767	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+H+K"	39.970434
"1450362"	209.575067	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H+K"	39.970434
"240423"	800.393226	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+ACN+H"	42.033826
"1212039"	421.213526	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+ACN+H"	42.033826
"1196284"	211.110401	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+ACN+2H"	43.041102
"192440"	803.33056	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+2Na-H"	44.97116
"629813"	1182.51026	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+2Na-H"	44.97116
"1132345"	424.15086	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2Na-H"	44.97116
"176608"	402.168918	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+2Na"	45.978436
"616170"	591.758768	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+2Na"	45.978436
"1120404"	212.579068	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2Na"	45.978436
"1402105"	142.055137333333	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H+2Na"	46.985712
"1434951"	426.192446	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H+HCOOH"	47.012746
"222459"	407.20194	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+3H2O+2H"	56.04448
"1510888"	440.24449	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+IsoProp+H"	61.06479
"414220"	410.155888	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+Na+K"	61.952376
"774121"	599.745738	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+Na+K"	61.952376
"1667170"	220.566038	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Na+K"	61.952376
"254426"	822.375168	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+ACN+Na"	64.015768
"1232968"	443.195468	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+ACN+Na"	64.015768
"1717481"	443.218993	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+NH4+HCOOH"	64.039293
"1181010"	149.382451333333	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+3Na"	68.967654
"1651997"	448.174388	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Na+HCOOH"	68.994688
"160072"	835.27844	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+2K-H"	76.91904
"604620"	1214.45814	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+2K-H"	76.91904
"1089132"	456.09874	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2K-H"	76.91904
"144857"	418.142858	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"2M+2K"	77.926316
"584417"	607.732708	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"3M+2K"	77.926316
"1077678"	228.553008	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2K"	77.926316
"1109793"	458.113292	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2K+H"	78.933592
"1348364"	458.200907	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+DMSO+H"	79.021207
"1011428"	462.240076	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2ACN+H"	83.060376
"1531742"	463.233708	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+IsoProp+Na+H"	84.054008
"994909"	231.623676	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+2ACN+2H"	84.067652
"1590871"	464.148328	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+K+HCOOH"	84.968628
"1418354"	494.179838	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+H+CF3COOH"	115.000138
"1150100"	252.136951	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+3ACN+2H"	125.094202
"1699290"	511.206385	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+NH4+CF3COOH"	132.026685
"1638221"	516.16178	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+Na+CF3COOH"	136.98208
"1576064"	532.13572	"C19529"	"Sudan Red 7B;Oil Violet;CI Solvent Red 19;N-Ethyl-1-2-4-(2-phenyldiazenyl)phenyldiazenyl-2-naphthalenamine"	"C24H21N5"	"379.1797"	"M+K+CF3COOH"	152.95602
"812991"	278.0837	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M"	0
"979964"	259.06531	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-H2O-H"	-19.01839
"68206"	184.381857333333	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M-3H"	-3.021828
"513235"	277.076424	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M-3H"	-3.021828
"892863"	91.6872906666667	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-3H"	-3.021828
"11800"	277.076424	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M-2H"	-2.014552
"452454"	416.118274	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M-2H"	-2.014552
"830136"	138.034574	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-2H"	-2.014552
"92074"	555.160124	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M-H"	-1.007276
"529812"	833.243824	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M-H"	-1.007276
"907610"	277.076424	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-H"	-1.007276
"54328"	572.186671	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M-2H+NH4"	16.019271
"490970"	850.270371	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M-2H+NH4"	16.019271
"876916"	294.102971	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-2H+NH4"	16.019271
"36671"	577.142066	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M-2H+Na"	20.974666
"475503"	855.225766	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M-2H+Na"	20.974666
"852214"	299.058366	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-2H+Na"	20.974666
"1622478"	299.058366	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Na-2H"	20.974666
"103025"	295.064763	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M-H+Cl"	33.962126
"537117"	434.106613	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M-H+Cl"	33.962126
"927351"	156.022913	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-H+Cl"	33.962126
"281831"	591.136802	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+Cl"	34.969402
"665989"	869.220502	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+Cl"	34.969402
"1280579"	313.053102	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Cl"	34.969402
"22044"	593.116006	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M-2H+K"	36.948606
"458323"	871.199706	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M-2H+K"	36.948606
"839404"	315.032306	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-2H+K"	36.948606
"1563986"	315.032306	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+K-2H"	36.948606
"950776"	323.081894	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-H+HCOOH"	44.998194
"372272"	601.165601	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+HCOOH-H"	44.998201
"357248"	615.181251	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+Hac-H"	59.013851
"1500612"	337.097551	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Hac-H"	59.013851
"965969"	345.063851	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-H+NaCOOH"	66.980151
"120345"	313.053102	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+2Cl"	69.938804
"560998"	452.094952	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+2Cl"	69.938804
"1025423"	174.011252	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2Cl"	69.938804
"1246095"	357.002585	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Br"	78.918885
"1311823"	359.058572	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Cl+HCOOH"	80.974872
"1320004"	381.040529	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Cl+NaCOOH"	102.956829
"911871"	391.069286	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M-H+CF3COOH"	112.985586
"1288948"	427.045964	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Cl+CF3COOH"	148.962264
"1373068"	243.071024	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H-2H2O"	-35.012676
"1396644"	261.081	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H-H2O"	-17.0027
"289156"	557.174676	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+H"	1.007276
"682671"	835.258376	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+H"	1.007276
"1361208"	279.090976	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H"	1.007276
"130816"	279.090976	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+2H"	2.014552
"569646"	418.132826	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+2H"	2.014552
"1042459"	140.049126	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2H"	2.014552
"209266"	186.396409333333	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+3H"	3.021828
"647366"	279.090976	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+3H"	3.021828
"1170233"	93.7018426666667	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+3H"	3.021828
"430224"	574.201223	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+NH4"	18.033823
"790124"	852.284923	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+NH4"	18.033823
"1685363"	296.117523	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+NH4"	18.033823
"331820"	287.6042495	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+H+NH4"	19.041099
"724360"	426.6460995	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+H+NH4"	19.041099
"1479881"	148.5623995	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H+NH4"	19.041099
"395280"	579.156618	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+Na"	22.989218
"756274"	857.240318	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+Na"	22.989218
"1604612"	301.072918	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Na"	22.989218
"316229"	290.081947	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+H+Na"	23.996494
"708160"	429.123797	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+H+Na"	23.996494
"1463943"	151.040097	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H+Na"	23.996494
"1054999"	101.029156666667	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2H+Na"	25.00377
"1258868"	311.117186	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+CH3OH+H"	33.033486
"381818"	595.130558	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+K"	38.963158
"746097"	873.214258	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+K"	38.963158
"1545960"	317.046858	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+K"	38.963158
"308604"	298.068917	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+H+K"	39.970434
"698838"	437.110767	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+H+K"	39.970434
"1453752"	159.027067	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H+K"	39.970434
"242355"	598.201226	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+ACN+H"	42.033826
"1213241"	320.117526	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+ACN+H"	42.033826
"1200044"	160.562401	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+ACN+2H"	43.041102
"194006"	601.13856	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+2Na-H"	44.97116
"633934"	879.22226	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+2Na-H"	44.97116
"1133062"	323.05486	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2Na-H"	44.97116
"175989"	301.072918	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+2Na"	45.978436
"617009"	440.114768	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+2Na"	45.978436
"1116869"	162.031068	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2Na"	45.978436
"1404040"	108.356470666667	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H+2Na"	46.985712
"1436154"	325.096446	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H+HCOOH"	47.012746
"222569"	306.10594	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+3H2O+2H"	56.04448
"1510269"	339.14849	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+IsoProp+H"	61.06479
"412507"	309.059888	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+Na+K"	61.952376
"773137"	448.101738	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+Na+K"	61.952376
"1665942"	170.018038	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Na+K"	61.952376
"254904"	620.183168	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+ACN+Na"	64.015768
"1229069"	342.099468	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+ACN+Na"	64.015768
"1715405"	342.122993	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+NH4+HCOOH"	64.039293
"1181121"	115.683784666667	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+3Na"	68.967654
"1649954"	347.078388	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Na+HCOOH"	68.994688
"158607"	633.08644	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+2K-H"	76.91904
"602544"	911.17014	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+2K-H"	76.91904
"1091431"	355.00274	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2K-H"	76.91904
"146061"	317.046858	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"2M+2K"	77.926316
"589995"	456.088708	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"3M+2K"	77.926316
"1079976"	178.005008	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2K"	77.926316
"1113552"	357.017292	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2K+H"	78.933592
"1348477"	357.104907	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+DMSO+H"	79.021207
"1014818"	361.144076	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2ACN+H"	83.060376
"1535133"	362.137708	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+IsoProp+Na+H"	84.054008
"1001581"	181.075676	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+2ACN+2H"	84.067652
"1601188"	363.052328	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+K+HCOOH"	84.968628
"1429399"	393.083838	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+H+CF3COOH"	115.000138
"1148753"	201.588951	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+3ACN+2H"	125.094202
"1700492"	410.110385	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+NH4+CF3COOH"	132.026685
"1638331"	415.06578	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+Na+CF3COOH"	136.98208
"1582735"	431.03972	"C19530"	"Sulfamethazine"	"C12H14N4O2S"	"278.0837"	"M+K+CF3COOH"	152.95602
"803260"	451.9725	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M"	0
"976063"	432.95411	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-H2O-H"	-19.01839
"66129"	300.307724	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M-3H"	-3.021828
"508972"	450.965224	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M-3H"	-3.021828
"890054"	149.650224	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-3H"	-3.021828
"9722"	450.965224	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H"	-2.014552
"449285"	676.951474	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H"	-2.014552
"830366"	224.978974	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-2H"	-2.014552
"90360"	902.937724	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M-H"	-1.007276
"527735"	1354.910224	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M-H"	-1.007276
"906627"	450.965224	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-H"	-1.007276
"51526"	919.964271	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H+NH4"	16.019271
"490716"	1371.936771	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H+NH4"	16.019271
"873988"	467.991771	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-2H+NH4"	16.019271
"39700"	924.919666	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H+Na"	20.974666
"475979"	1376.892166	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H+Na"	20.974666
"852323"	472.947166	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-2H+Na"	20.974666
"1620761"	472.947166	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Na-2H"	20.974666
"103135"	468.953563	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M-H+Cl"	33.962126
"536134"	694.939813	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M-H+Cl"	33.962126
"927703"	242.967313	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-H+Cl"	33.962126
"280603"	938.914402	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+Cl"	34.969402
"673996"	1390.886902	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+Cl"	34.969402
"1279594"	486.941902	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl"	34.969402
"17779"	940.893606	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M-2H+K"	36.948606
"458433"	1392.866106	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M-2H+K"	36.948606
"839514"	488.921106	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-2H+K"	36.948606
"1565190"	488.921106	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+K-2H"	36.948606
"951979"	496.970694	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-H+HCOOH"	44.998194
"368008"	948.943201	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+HCOOH-H"	44.998201
"352983"	962.958851	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+Hac-H"	59.013851
"1500722"	510.986351	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Hac-H"	59.013851
"962798"	518.952651	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-H+NaCOOH"	66.980151
"121184"	486.941902	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+2Cl"	69.938804
"562201"	712.928152	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+2Cl"	69.938804
"1025533"	260.955652	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2Cl"	69.938804
"1246205"	530.891385	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Br"	78.918885
"1311933"	532.947372	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl+HCOOH"	80.974872
"1319990"	554.929329	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl+NaCOOH"	102.956829
"912344"	564.958086	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M-H+CF3COOH"	112.985586
"1289786"	600.934764	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Cl+CF3COOH"	148.962264
"1374271"	416.959824	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H-2H2O"	-35.012676
"1393954"	434.9698	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H-H2O"	-17.0027
"289266"	904.952276	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+H"	1.007276
"681687"	1356.924776	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+H"	1.007276
"1361318"	452.979776	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H"	1.007276
"129102"	452.979776	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+2H"	2.014552
"569391"	678.966026	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+2H"	2.014552
"1043662"	226.993526	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2H"	2.014552
"208283"	302.322276	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+3H"	3.021828
"650026"	452.979776	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+3H"	3.021828
"1168155"	151.664776	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+3H"	3.021828
"428147"	921.978823	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+NH4"	18.033823
"790231"	1373.951323	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+NH4"	18.033823
"1686925"	470.006323	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+NH4"	18.033823
"332656"	461.4930495	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+H+NH4"	19.041099
"725443"	687.4792995	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+H+NH4"	19.041099
"1479989"	235.5067995	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H+NH4"	19.041099
"396482"	926.934218	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+Na"	22.989218
"758567"	1378.906718	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+Na"	22.989218
"1604848"	474.961718	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Na"	22.989218
"315248"	463.970747	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+H+Na"	23.996494
"709855"	689.956997	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+H+Na"	23.996494
"1462227"	237.984497	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H+Na"	23.996494
"1054620"	158.99209	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2H+Na"	25.00377
"1258613"	485.005986	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+CH3OH+H"	33.033486
"380835"	942.908158	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+K"	38.963158
"745114"	1394.880658	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+K"	38.963158
"1545341"	490.935658	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+K"	38.963158
"305070"	471.957717	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+H+K"	39.970434
"697855"	697.943967	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+H+K"	39.970434
"1453862"	245.971467	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H+K"	39.970434
"240277"	945.978826	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+ACN+H"	42.033826
"1210917"	494.006326	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+ACN+H"	42.033826
"1199789"	247.506801	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+ACN+2H"	43.041102
"195209"	948.91616	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+2Na-H"	44.97116
"634408"	1400.88866	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+2Na-H"	44.97116
"1132807"	496.94366	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2Na-H"	44.97116
"174640"	474.961718	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+2Na"	45.978436
"614929"	700.947968	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+2Na"	45.978436
"1117340"	248.975468	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2Na"	45.978436
"1404514"	166.319404	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H+2Na"	46.985712
"1433710"	498.985246	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H+HCOOH"	47.012746
"223406"	479.99474	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+3H2O+2H"	56.04448
"1511468"	513.03729	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+IsoProp+H"	61.06479
"411156"	482.948688	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+Na+K"	61.952376
"775434"	708.934938	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+Na+K"	61.952376
"1670670"	256.962438	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Na+K"	61.952376
"253555"	967.960768	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+ACN+Na"	64.015768
"1228448"	515.988268	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+ACN+Na"	64.015768
"1715876"	516.011793	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+NH4+HCOOH"	64.039293
"1180867"	173.646718	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+3Na"	68.967654
"1650431"	520.967188	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Na+HCOOH"	68.994688
"158468"	980.86404	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+2K-H"	76.91904
"603747"	1432.83654	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+2K-H"	76.91904
"1091541"	528.89154	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2K-H"	76.91904
"145078"	490.935658	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"2M+2K"	77.926316
"590105"	716.921908	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"3M+2K"	77.926316
"1080086"	264.949408	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2K"	77.926316
"1113905"	530.906092	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2K+H"	78.933592
"1348466"	530.993707	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+DMSO+H"	79.021207
"1012741"	535.032876	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2ACN+H"	83.060376
"1535243"	536.026508	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+IsoProp+Na+H"	84.054008
"998411"	268.020076	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+2ACN+2H"	84.067652
"1599475"	536.941128	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+K+HCOOH"	84.968628
"1429509"	566.972638	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+H+CF3COOH"	115.000138
"1148134"	288.533351	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+3ACN+2H"	125.094202
"1699509"	583.999185	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+NH4+CF3COOH"	132.026685
"1638441"	588.95458	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+Na+CF3COOH"	136.98208
"1582845"	604.92852	"C19531"	"Sunset Yellow FCF;CI Food Yellow 3;Food yellow No5"	"C16H10N2O7S22Na"	"451.9725"	"M+K+CF3COOH"	152.95602
"803372"	319.9442	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M"	0
"979090"	300.92581	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-H2O-H"	-19.01839
"69521"	212.288857333333	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M-3H"	-3.021828
"513455"	318.936924	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M-3H"	-3.021828
"890165"	105.640790666667	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-3H"	-3.021828
"13843"	318.936924	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M-2H"	-2.014552
"454135"	478.909024	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M-2H"	-2.014552
"832383"	158.964824	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-2H"	-2.014552
"90471"	638.881124	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M-H"	-1.007276
"533553"	958.825324	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M-H"	-1.007276
"903456"	318.936924	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-H"	-1.007276
"57829"	655.907671	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M-2H+NH4"	16.019271
"495566"	975.851871	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M-2H+NH4"	16.019271
"874098"	335.963471	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-2H+NH4"	16.019271
"39811"	660.863066	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M-2H+Na"	20.974666
"479372"	980.807266	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M-2H+Na"	20.974666
"853162"	340.918866	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-2H+Na"	20.974666
"1628905"	340.918866	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Na-2H"	20.974666
"103246"	336.925263	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M-H+Cl"	33.962126
"538430"	496.897363	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M-H+Cl"	33.962126
"939605"	176.953163	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-H+Cl"	33.962126
"280350"	674.857802	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+Cl"	34.969402
"672769"	994.802002	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+Cl"	34.969402
"1280798"	354.913602	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Cl"	34.969402
"17889"	676.837006	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M-2H+K"	36.948606
"459638"	996.781206	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M-2H+K"	36.948606
"836344"	356.892806	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-2H+K"	36.948606
"1563114"	356.892806	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+K-2H"	36.948606
"946624"	364.942394	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-H+HCOOH"	44.998194
"369213"	684.886601	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+HCOOH-H"	44.998201
"355283"	698.902251	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+Hac-H"	59.013851
"1499742"	378.958051	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Hac-H"	59.013851
"967284"	386.924351	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-H+NaCOOH"	66.980151
"119472"	354.913602	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+2Cl"	69.938804
"556845"	514.885702	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+2Cl"	69.938804
"1025642"	194.941502	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2Cl"	69.938804
"1245222"	398.863085	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Br"	78.918885
"1313142"	400.919072	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Cl+HCOOH"	80.974872
"1328451"	422.901029	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Cl+NaCOOH"	102.956829
"923884"	432.929786	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M-H+CF3COOH"	112.985586
"1303033"	468.906464	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Cl+CF3COOH"	148.962264
"1380214"	284.931524	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H-2H2O"	-35.012676
"1393700"	302.9415	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H-H2O"	-17.0027
"291564"	640.895676	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+H"	1.007276
"689094"	960.839876	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+H"	1.007276
"1363253"	320.951476	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H"	1.007276
"131039"	320.951476	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+2H"	2.014552
"571323"	480.923576	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+2H"	2.014552
"1042679"	160.979376	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2H"	2.014552
"209486"	214.303409333333	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+3H"	3.021828
"646858"	320.951476	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+3H"	3.021828
"1168265"	107.655342666667	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+3H"	3.021828
"428257"	657.922223	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+NH4"	18.033823
"792527"	977.866423	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+NH4"	18.033823
"1685942"	337.978023	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+NH4"	18.033823
"333857"	329.4647495	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+H+NH4"	19.041099
"725551"	489.4368495	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+H+NH4"	19.041099
"1482288"	169.4926495	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H+NH4"	19.041099
"396594"	662.877618	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+Na"	22.989218
"756495"	982.821818	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+Na"	22.989218
"1606781"	342.933418	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Na"	22.989218
"315847"	331.942447	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+H+Na"	23.996494
"708515"	491.914547	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+H+Na"	23.996494
"1464160"	171.970347	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H+Na"	23.996494
"1056315"	114.982656666667	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2H+Na"	25.00377
"1262367"	352.977686	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+CH3OH+H"	33.033486
"383134"	678.851558	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+K"	38.963158
"747412"	998.795758	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+K"	38.963158
"1549462"	358.907358	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+K"	38.963158
"308826"	339.929417	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+H+K"	39.970434
"700153"	499.901517	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+H+K"	39.970434
"1451787"	179.957317	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H+K"	39.970434
"245855"	681.922226	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+ACN+H"	42.033826
"1215647"	361.978026	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+ACN+H"	42.033826
"1196005"	181.492651	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+ACN+2H"	43.041102
"193132"	684.85956	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+2Na-H"	44.97116
"630505"	1004.80376	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+2Na-H"	44.97116
"1137658"	364.91536	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2Na-H"	44.97116
"177667"	342.933418	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+2Na"	45.978436
"616864"	502.905518	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+2Na"	45.978436
"1118181"	182.961318	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2Na"	45.978436
"1406084"	122.309970666667	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H+2Na"	46.985712
"1435282"	366.956946	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H+HCOOH"	47.012746
"227894"	347.96644	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+3H2O+2H"	56.04448
"1515957"	381.00899	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+IsoProp+H"	61.06479
"415642"	350.920388	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+Na+K"	61.952376
"779918"	510.892488	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+Na+K"	61.952376
"1667870"	190.948288	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Na+K"	61.952376
"257311"	703.904168	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+ACN+Na"	64.015768
"1232207"	383.959968	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+ACN+Na"	64.015768
"1717811"	383.983493	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+NH4+HCOOH"	64.039293
"1185355"	129.637284666667	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+3Na"	68.967654
"1655246"	388.938888	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Na+HCOOH"	68.994688
"161013"	716.80744	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+2K-H"	76.91904
"604586"	1036.75164	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+2K-H"	76.91904
"1090559"	396.86324	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2K-H"	76.91904
"151749"	358.907358	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"2M+2K"	77.926316
"592404"	518.879458	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"3M+2K"	77.926316
"1080196"	198.935258	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2K"	77.926316
"1113772"	398.877792	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2K+H"	78.933592
"1345417"	398.965407	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+DMSO+H"	79.021207
"1013944"	403.004576	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2ACN+H"	83.060376
"1529885"	403.998208	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+IsoProp+Na+H"	84.054008
"995240"	202.005926	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+2ACN+2H"	84.067652
"1593025"	404.912828	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+K+HCOOH"	84.968628
"1418686"	434.944338	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+H+CF3COOH"	115.000138
"1149338"	222.519201	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+3ACN+2H"	125.094202
"1697799"	451.970885	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+NH4+CF3COOH"	132.026685
"1635270"	456.92628	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+Na+CF3COOH"	136.98208
"1572380"	472.90022	"C19533"	"2255-Tetrachlorobenzidine"	"C12H8Cl4N2"	"319.9442"	"M+K+CF3COOH"	152.95602
"804575"	165.8911	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M"	0
"980294"	146.87271	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H2O-H"	-19.01839
"71816"	109.586790666667	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-3H"	-3.021828
"510284"	164.883824	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-3H"	-3.021828
"889180"	54.2897573333333	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-3H"	-3.021828
"15413"	164.883824	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H"	-2.014552
"453876"	247.829374	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H"	-2.014552
"832451"	81.938274	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H"	-2.014552
"93738"	330.774924	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-H"	-1.007276
"527950"	496.666024	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-H"	-1.007276
"901380"	164.883824	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H"	-1.007276
"57939"	347.801471	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H+NH4"	16.019271
"495312"	513.692571	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H+NH4"	16.019271
"876395"	181.910371	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H+NH4"	16.019271
"42108"	352.756866	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H+Na"	20.974666
"482763"	518.647966	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H+Na"	20.974666
"857284"	186.865766	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H+Na"	20.974666
"1632291"	186.865766	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na-2H"	20.974666
"105542"	182.872163	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-H+Cl"	33.962126
"536354"	265.817713	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-H+Cl"	33.962126
"939715"	99.926613	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+Cl"	33.962126
"281188"	366.751602	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Cl"	34.969402
"675067"	532.642702	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+Cl"	34.969402
"1280908"	200.860502	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl"	34.969402
"24558"	368.730806	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M-2H+K"	36.948606
"457681"	534.621906	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M-2H+K"	36.948606
"837547"	202.839706	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-2H+K"	36.948606
"1559942"	202.839706	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K-2H"	36.948606
"947828"	210.889294	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+HCOOH"	44.998194
"366043"	376.780401	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+HCOOH-H"	44.998201
"349928"	390.796051	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Hac-H"	59.013851
"1502041"	224.904951	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Hac-H"	59.013851
"967395"	232.871251	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+NaCOOH"	66.980151
"119582"	200.860502	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2Cl"	69.938804
"558049"	283.806052	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2Cl"	69.938804
"1024658"	117.914952	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2Cl"	69.938804
"1246425"	244.809985	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Br"	78.918885
"1314345"	246.865972	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl+HCOOH"	80.974872
"1329654"	268.847929	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl+NaCOOH"	102.956829
"921807"	278.876686	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M-H+CF3COOH"	112.985586
"1302898"	314.853364	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Cl+CF3COOH"	148.962264
"1379960"	130.878424	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H-2H2O"	-35.012676
"1393810"	148.8884	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H-H2O"	-17.0027
"291674"	332.789476	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H"	1.007276
"687381"	498.680576	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H"	1.007276
"1360447"	166.898376	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H"	1.007276
"130056"	166.898376	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2H"	2.014552
"568155"	249.843926	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2H"	2.014552
"1042789"	83.952826	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2H"	2.014552
"209596"	111.601342666667	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+3H"	3.021828
"647333"	166.898376	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+3H"	3.021828
"1166189"	56.3043093333333	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+3H"	3.021828
"429461"	349.816023	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+NH4"	18.033823
"791180"	515.707123	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+NH4"	18.033823
"1684596"	183.924923	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+NH4"	18.033823
"333602"	175.4116495	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H+NH4"	19.041099
"726024"	258.3571995	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H+NH4"	19.041099
"1480212"	92.4660995	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+NH4"	19.041099
"395611"	354.771418	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Na"	22.989218
"755511"	520.662518	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+Na"	22.989218
"1603611"	188.880318	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na"	22.989218
"315103"	177.889347	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H+Na"	23.996494
"708625"	260.834897	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H+Na"	23.996494
"1462933"	94.943797	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+Na"	23.996494
"1057518"	63.6316233333333	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2H+Na"	25.00377
"1262841"	198.924586	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+CH3OH+H"	33.033486
"386523"	370.745358	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+K"	38.963158
"749708"	536.636458	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+K"	38.963158
"1550665"	204.854258	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K"	38.963158
"312215"	185.876317	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+H+K"	39.970434
"701354"	268.821867	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+H+K"	39.970434
"1451895"	102.930767	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+K"	39.970434
"239404"	373.816026	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+ACN+H"	42.033826
"1215392"	207.924926	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+ACN+H"	42.033826
"1196723"	104.466101	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+ACN+2H"	43.041102
"193241"	376.75336	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2Na-H"	44.97116
"631343"	542.64446	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2Na-H"	44.97116
"1134481"	210.86226	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2Na-H"	44.97116
"174861"	188.880318	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2Na"	45.978436
"617339"	271.825868	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2Na"	45.978436
"1117927"	105.934768	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2Na"	45.978436
"1407287"	70.9589373333333	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+2Na"	46.985712
"1433202"	212.903846	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+HCOOH"	47.012746
"224357"	193.91334	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+3H2O+2H"	56.04448
"1519348"	226.95589	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+IsoProp+H"	61.06479
"417940"	196.867288	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+Na+K"	61.952376
"778935"	279.812838	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+Na+K"	61.952376
"1667252"	113.921738	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na+K"	61.952376
"257421"	395.797968	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+ACN+Na"	64.015768
"1231223"	229.906868	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+ACN+Na"	64.015768
"1717921"	229.930393	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+NH4+HCOOH"	64.039293
"1188744"	78.2862513333333	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+3Na"	68.967654
"1653168"	234.885788	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na+HCOOH"	68.994688
"166591"	408.70124	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2K-H"	76.91904
"608338"	574.59234	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2K-H"	76.91904
"1092856"	242.81014	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2K-H"	76.91904
"152953"	204.854258	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"2M+2K"	77.926316
"594701"	287.799808	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"3M+2K"	77.926316
"1078121"	121.908708	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2K"	77.926316
"1109142"	244.824692	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2K+H"	78.933592
"1347713"	244.912307	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+DMSO+H"	79.021207
"1016973"	248.951476	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2ACN+H"	83.060376
"1534370"	249.945108	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+IsoProp+Na+H"	84.054008
"999725"	124.979376	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+2ACN+2H"	84.067652
"1596415"	250.859728	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K+HCOOH"	84.968628
"1417702"	280.891238	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+H+CF3COOH"	115.000138
"1151272"	145.492651	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+3ACN+2H"	125.094202
"1697909"	297.917785	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+NH4+CF3COOH"	132.026685
"1636840"	302.87318	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+Na+CF3COOH"	136.98208
"1573587"	318.84712	"C19534"	"1122-Tetrachloroethane;Tetrachloroethane"	"C2H2Cl4"	"165.8911"	"M+K+CF3COOH"	152.95602
"803592"	142.9096	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M"	0
"977123"	123.89121	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-H2O-H"	-19.01839
"69741"	94.2657906666667	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M-3H"	-3.021828
"508209"	141.902324	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M-3H"	-3.021828
"884917"	46.6292573333333	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-3H"	-3.021828
"8959"	141.902324	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M-2H"	-2.014552
"452532"	213.357124	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M-2H"	-2.014552
"827416"	70.447524	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-2H"	-2.014552
"83036"	284.811924	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M-H"	-1.007276
"528060"	427.721524	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M-H"	-1.007276
"903676"	141.902324	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-H"	-1.007276
"55865"	301.838471	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M-2H+NH4"	16.019271
"495422"	444.748071	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M-2H+NH4"	16.019271
"871038"	158.928871	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-2H+NH4"	16.019271
"37478"	306.793866	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M-2H+Na"	20.974666
"477769"	449.703466	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M-2H+Na"	20.974666
"852290"	163.884266	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-2H+Na"	20.974666
"1622193"	163.884266	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Na-2H"	20.974666
"102373"	159.890663	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M-H+Cl"	33.962126
"536464"	231.345463	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M-H+Cl"	33.962126
"939825"	88.435863	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-H+Cl"	33.962126
"278379"	320.788602	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+Cl"	34.969402
"672988"	463.698202	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+Cl"	34.969402
"1276644"	177.879002	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Cl"	34.969402
"21388"	322.767806	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M-2H+K"	36.948606
"456937"	465.677406	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M-2H+K"	36.948606
"834376"	179.858206	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-2H+K"	36.948606
"1557864"	179.858206	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+K-2H"	36.948606
"947934"	187.907794	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-H+HCOOH"	44.998194
"363966"	330.817401	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+HCOOH-H"	44.998201
"353315"	344.833051	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+Hac-H"	59.013851
"1494859"	201.923451	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Hac-H"	59.013851
"964224"	209.889751	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-H+NaCOOH"	66.980151
"116412"	177.879002	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+2Cl"	69.938804
"560345"	249.333802	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+2Cl"	69.938804
"1025131"	106.424202	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2Cl"	69.938804
"1245442"	221.828485	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Br"	78.918885
"1314455"	223.884472	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Cl+HCOOH"	80.974872
"1330857"	245.866429	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Cl+NaCOOH"	102.956829
"921917"	255.895186	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M-H+CF3COOH"	112.985586
"1301549"	291.871864	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Cl+CF3COOH"	148.962264
"1380070"	107.896924	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H-2H2O"	-35.012676
"1391002"	125.9069	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H-H2O"	-17.0027
"290689"	286.826476	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+H"	1.007276
"688584"	429.736076	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+H"	1.007276
"1359464"	143.916876	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H"	1.007276
"132353"	143.916876	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+2H"	2.014552
"568630"	215.371676	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+2H"	2.014552
"1042899"	72.462076	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2H"	2.014552
"213716"	96.2803426666667	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+3H"	3.021828
"649266"	143.916876	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+3H"	3.021828
"1169579"	48.6438093333333	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+3H"	3.021828
"429571"	303.853023	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+NH4"	18.033823
"788379"	446.762623	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+NH4"	18.033823
"1682885"	160.943423	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+NH4"	18.033823
"334080"	152.4301495	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+H+NH4"	19.041099
"725770"	223.8849495	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+H+NH4"	19.041099
"1478501"	80.9753495	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H+NH4"	19.041099
"393899"	308.808418	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+Na"	22.989218
"756717"	451.718018	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+Na"	22.989218
"1602870"	165.898818	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Na"	22.989218
"315576"	154.907847	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+H+Na"	23.996494
"708371"	226.362647	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+H+Na"	23.996494
"1462314"	83.453047	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H+Na"	23.996494
"1057628"	55.9711233333333	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2H+Na"	25.00377
"1262587"	175.943086	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+CH3OH+H"	33.033486
"378245"	324.782358	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+K"	38.963158
"745438"	467.691958	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+K"	38.963158
"1546398"	181.872758	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+K"	38.963158
"306853"	162.894817	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+H+K"	39.970434
"693807"	234.349617	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+H+K"	39.970434
"1452002"	91.440017	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H+K"	39.970434
"239513"	327.853026	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+ACN+H"	42.033826
"1211492"	184.943426	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+ACN+H"	42.033826
"1195376"	92.975351	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+ACN+2H"	43.041102
"192256"	330.79036	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+2Na-H"	44.97116
"630724"	473.69996	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+2Na-H"	44.97116
"1133983"	187.88076	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2Na-H"	44.97116
"174969"	165.898818	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+2Na"	45.978436
"614408"	237.353618	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+2Na"	45.978436
"1117668"	94.444018	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2Na"	45.978436
"1400830"	63.2984373333333	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H+2Na"	46.985712
"1431244"	189.922346	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H+HCOOH"	47.012746
"220818"	170.93184	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+3H2O+2H"	56.04448
"1514716"	203.97439	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+IsoProp+H"	61.06479
"414039"	173.885788	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+Na+K"	61.952376
"774305"	245.340588	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+Na+K"	61.952376
"1668455"	102.430988	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Na+K"	61.952376
"257531"	349.834968	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+ACN+Na"	64.015768
"1233520"	206.925368	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+ACN+Na"	64.015768
"1720218"	206.948893	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+NH4+HCOOH"	64.039293
"1187761"	70.6257513333333	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+3Na"	68.967654
"1656558"	211.904288	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Na+HCOOH"	68.994688
"165609"	362.73824	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+2K-H"	76.91904
"607355"	505.64784	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+2K-H"	76.91904
"1092966"	219.82864	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2K-H"	76.91904
"153063"	181.872758	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"2M+2K"	77.926316
"594811"	253.327558	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"3M+2K"	77.926316
"1081511"	110.417958	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2K"	77.926316
"1112532"	221.843192	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2K+H"	78.933592
"1347823"	221.930807	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+DMSO+H"	79.021207
"1015261"	225.969976	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2ACN+H"	83.060376
"1537761"	226.963608	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+IsoProp+Na+H"	84.054008
"1000928"	113.488626	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+2ACN+2H"	84.067652
"1598712"	227.878228	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+K+HCOOH"	84.968628
"1415625"	257.909738	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+H+CF3COOH"	115.000138
"1149197"	134.001901	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+3ACN+2H"	125.094202
"1698748"	274.936285	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+NH4+CF3COOH"	132.026685
"1637677"	279.89168	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+Na+CF3COOH"	136.98208
"1573697"	295.86562	"C19535"	"Trichloroacetonitrile;222-Trichloro-acetonitrile"	"C2Cl3N"	"142.9096"	"M+K+CF3COOH"	152.95602
"803702"	131.93	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M"	0
"977233"	112.91161	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-H2O-H"	-19.01839
"72038"	86.9460573333333	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M-3H"	-3.021828
"508319"	130.922724	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M-3H"	-3.021828
"887213"	42.9693906666667	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-3H"	-3.021828
"12349"	130.922724	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M-2H"	-2.014552
"453735"	196.887724	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M-2H"	-2.014552
"827527"	64.957724	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-2H"	-2.014552
"86427"	262.852724	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M-H"	-1.007276
"531450"	394.782724	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M-H"	-1.007276
"907066"	130.922724	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-H"	-1.007276
"57070"	279.879271	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M-2H+NH4"	16.019271
"500514"	411.809271	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M-2H+NH4"	16.019271
"876982"	147.949271	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-2H+NH4"	16.019271
"41235"	284.834666	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M-2H+Na"	20.974666
"480434"	416.764666	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M-2H+Na"	20.974666
"858597"	152.904666	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-2H+Na"	20.974666
"1625949"	152.904666	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Na-2H"	20.974666
"104670"	148.911063	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M-H+Cl"	33.962126
"539854"	214.876063	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M-H+Cl"	33.962126
"941028"	82.946063	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-H+Cl"	33.962126
"278490"	298.829402	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+Cl"	34.969402
"673828"	430.759402	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+Cl"	34.969402
"1283315"	166.899402	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Cl"	34.969402
"23684"	300.808606	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M-2H+K"	36.948606
"463243"	432.738606	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M-2H+K"	36.948606
"841046"	168.878606	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-2H+K"	36.948606
"1562348"	168.878606	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+K-2H"	36.948606
"950231"	176.928194	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-H+HCOOH"	44.998194
"370636"	308.858201	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+HCOOH-H"	44.998201
"353425"	322.873851	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+Hac-H"	59.013851
"1495698"	190.943851	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Hac-H"	59.013851
"967614"	198.910151	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-H+NaCOOH"	66.980151
"118709"	166.899402	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+2Cl"	69.938804
"560456"	232.864402	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+2Cl"	69.938804
"1024878"	100.934402	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2Cl"	69.938804
"1245552"	210.848885	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Br"	78.918885
"1313472"	212.904872	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Cl+HCOOH"	80.974872
"1327687"	234.886829	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Cl+NaCOOH"	102.956829
"920934"	244.915586	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M-H+CF3COOH"	112.985586
"1302752"	280.892264	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Cl+CF3COOH"	148.962264
"1380544"	96.917324	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H-2H2O"	-35.012676
"1390019"	114.9273	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H-H2O"	-17.0027
"291893"	264.867276	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+H"	1.007276
"687237"	396.797276	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+H"	1.007276
"1362127"	132.937276	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H"	1.007276
"136838"	132.937276	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+2H"	2.014552
"570928"	198.902276	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+2H"	2.014552
"1046289"	66.972276	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2H"	2.014552
"213826"	88.9606093333334	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+3H"	3.021828
"648283"	132.937276	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+3H"	3.021828
"1169689"	44.9839426666667	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+3H"	3.021828
"428588"	281.893823	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+NH4"	18.033823
"788491"	413.823823	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+NH4"	18.033823
"1685548"	149.963823	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+NH4"	18.033823
"338563"	141.4505495	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+H+NH4"	19.041099
"725517"	207.4155495	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+H+NH4"	19.041099
"1481527"	75.4855495	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H+NH4"	19.041099
"394738"	286.849218	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+Na"	22.989218
"757922"	418.779218	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+Na"	22.989218
"1606020"	154.919218	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Na"	22.989218
"316056"	143.928247	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+H+Na"	23.996494
"707751"	209.893247	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+H+Na"	23.996494
"1464492"	77.963247	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H+Na"	23.996494
"1058832"	52.3112566666667	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2H+Na"	25.00377
"1261968"	164.963486	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+CH3OH+H"	33.033486
"378355"	302.823158	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+K"	38.963158
"746641"	434.753158	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+K"	38.963158
"1545414"	170.893158	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+K"	38.963158
"303683"	151.915217	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+H+K"	39.970434
"696104"	217.880217	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+H+K"	39.970434
"1448832"	85.950217	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H+K"	39.970434
"237437"	305.893826	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+ACN+H"	42.033826
"1211238"	173.963826	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+ACN+H"	42.033826
"1196214"	87.485551	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+ACN+2H"	43.041102
"192367"	308.83116	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+2Na-H"	44.97116
"631201"	440.76116	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+2Na-H"	44.97116
"1133246"	176.90116	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2Na-H"	44.97116
"175810"	154.919218	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+2Na"	45.978436
"619382"	220.884218	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+2Na"	45.978436
"1119240"	88.954218	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2Na"	45.978436
"1403493"	59.6385706666667	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H+2Na"	46.985712
"1436340"	178.942746	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H+HCOOH"	47.012746
"225305"	159.95224	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+3H2O+2H"	56.04448
"1514098"	192.99479	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+IsoProp+H"	61.06479
"412688"	162.906188	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+Na+K"	61.952376
"775875"	228.871188	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+Na+K"	61.952376
"1667470"	96.941188	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Na+K"	61.952376
"258735"	327.875768	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+ACN+Na"	64.015768
"1232537"	195.945768	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+ACN+Na"	64.015768
"1719235"	195.969293	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+NH4+HCOOH"	64.039293
"1191151"	66.9658846666667	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+3Na"	68.967654
"1655574"	200.924688	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Na+HCOOH"	68.994688
"165718"	340.77904	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+2K-H"	76.91904
"604185"	472.70904	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+2K-H"	76.91904
"1088699"	208.84904	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2K-H"	76.91904
"148797"	170.893158	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"2M+2K"	77.926316
"590545"	236.858158	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"3M+2K"	77.926316
"1079433"	104.928158	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2K"	77.926316
"1109361"	210.863592	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2K+H"	78.933592
"1345745"	210.951207	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+DMSO+H"	79.021207
"1016463"	214.990376	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2ACN+H"	83.060376
"1533494"	215.984008	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+IsoProp+Na+H"	84.054008
"996663"	107.998826	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+2ACN+2H"	84.067652
"1597728"	216.898628	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+K+HCOOH"	84.968628
"1419016"	246.930138	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+H+CF3COOH"	115.000138
"1151493"	128.512101	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+3ACN+2H"	125.094202
"1702138"	263.956685	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+NH4+CF3COOH"	132.026685
"1639976"	268.91208	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+Na+CF3COOH"	136.98208
"1571982"	284.88602	"C19536"	"112-Trichloroethane"	"C2H3Cl3"	"131.93"	"M+K+CF3COOH"	152.95602
"807093"	262.1416	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M"	0
"986094"	243.12321	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-H2O-H"	-19.01839
"75428"	173.753790666667	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M-3H"	-3.021828
"510617"	261.134324	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M-3H"	-3.021828
"891699"	86.3732573333333	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-3H"	-3.021828
"12461"	261.134324	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M-2H"	-2.014552
"454458"	392.205124	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M-2H"	-2.014552
"830439"	130.063524	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-2H"	-2.014552
"92497"	523.275924	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M-H"	-1.007276
"533147"	785.417524	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M-H"	-1.007276
"908882"	261.134324	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-H"	-1.007276
"61318"	540.302471	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M-2H+NH4"	16.019271
"499656"	802.444071	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M-2H+NH4"	16.019271
"873444"	278.160871	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-2H+NH4"	16.019271
"39158"	545.257866	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M-2H+Na"	20.974666
"485649"	807.399466	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M-2H+Na"	20.974666
"859802"	283.116266	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-2H+Na"	20.974666
"1626059"	283.116266	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Na-2H"	20.974666
"99312"	279.122663	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M-H+Cl"	33.962126
"539963"	410.193463	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M-H+Cl"	33.962126
"935669"	148.051863	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-H+Cl"	33.962126
"277507"	559.252602	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+Cl"	34.969402
"671021"	821.394202	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+Cl"	34.969402
"1277958"	297.111002	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Cl"	34.969402
"19420"	561.231806	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M-2H+K"	36.948606
"457885"	823.373406	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M-2H+K"	36.948606
"834595"	299.090206	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-2H+K"	36.948606
"1563552"	299.090206	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+K-2H"	36.948606
"948155"	307.139794	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-H+HCOOH"	44.998194
"373298"	569.281401	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+HCOOH-H"	44.998201
"355721"	583.297051	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+Hac-H"	59.013851
"1500182"	321.155451	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Hac-H"	59.013851
"968818"	329.121751	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-H+NaCOOH"	66.980151
"125464"	297.111002	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+2Cl"	69.938804
"564941"	428.181802	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+2Cl"	69.938804
"1027174"	166.040202	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2Cl"	69.938804
"1245662"	341.060485	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Br"	78.918885
"1312489"	343.116472	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Cl+HCOOH"	80.974872
"1323424"	365.098429	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Cl+NaCOOH"	102.956829
"918857"	375.127186	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M-H+CF3COOH"	112.985586
"1300307"	411.103864	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Cl+CF3COOH"	148.962264
"1371541"	227.128924	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H-2H2O"	-35.012676
"1387943"	245.1389	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H-H2O"	-17.0027
"293096"	525.290476	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+H"	1.007276
"688439"	787.432076	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+H"	1.007276
"1363694"	263.148876	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H"	1.007276
"137312"	263.148876	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+2H"	2.014552
"574318"	394.219676	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+2H"	2.014552
"1046399"	132.078076	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2H"	2.014552
"214300"	175.768342666667	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+3H"	3.021828
"648393"	263.148876	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+3H"	3.021828
"1166883"	88.3878093333333	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+3H"	3.021828
"427969"	542.317023	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+NH4"	18.033823
"788601"	804.458623	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+NH4"	18.033823
"1684565"	280.175423	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+NH4"	18.033823
"340860"	271.6621495	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+H+NH4"	19.041099
"731095"	402.7329495	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+H+NH4"	19.041099
"1484917"	140.5913495	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H+NH4"	19.041099
"397036"	547.272418	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+Na"	22.989218
"759125"	809.414018	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+Na"	22.989218
"1607223"	285.130818	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Na"	22.989218
"317260"	274.139847	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+H+Na"	23.996494
"707737"	405.210647	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+H+Na"	23.996494
"1465330"	143.069047	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H+Na"	23.996494
"1057482"	95.7151233333333	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2H+Na"	25.00377
"1261714"	295.175086	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+CH3OH+H"	33.033486
"378950"	563.246358	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+K"	38.963158
"746751"	825.387958	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+K"	38.963158
"1545524"	301.104758	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+K"	38.963158
"307073"	282.126817	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+H+K"	39.970434
"699495"	413.197617	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+H+K"	39.970434
"1453320"	151.056017	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H+K"	39.970434
"244108"	566.317026	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+ACN+H"	42.033826
"1213535"	304.175426	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+ACN+H"	42.033826
"1199973"	152.591351	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+ACN+2H"	43.041102
"199040"	569.25436	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+2Na-H"	44.97116
"635321"	831.39596	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+2Na-H"	44.97116
"1134816"	307.11276	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2Na-H"	44.97116
"177015"	285.130818	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+2Na"	45.978436
"619493"	416.201618	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+2Na"	45.978436
"1118625"	154.060018	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2Na"	45.978436
"1402148"	103.042437333333	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H+2Na"	46.985712
"1435357"	309.154346	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H+HCOOH"	47.012746
"224686"	290.16384	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+3H2O+2H"	56.04448
"1514208"	323.20639	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+IsoProp+H"	61.06479
"410611"	293.117788	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+Na+K"	61.952376
"775985"	424.188588	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+Na+K"	61.952376
"1667219"	162.046988	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Na+K"	61.952376
"262125"	588.298968	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+ACN+Na"	64.015768
"1235927"	326.157368	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+ACN+Na"	64.015768
"1725543"	326.180893	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+NH4+HCOOH"	64.039293
"1189075"	110.369751333333	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+3Na"	68.967654
"1662979"	331.136288	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Na+HCOOH"	68.994688
"165831"	601.20224	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+2K-H"	76.91904
"608672"	863.34384	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+2K-H"	76.91904
"1093185"	339.06064	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2K-H"	76.91904
"152186"	301.104758	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"2M+2K"	77.926316
"590653"	432.175558	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"3M+2K"	77.926316
"1081729"	170.033958	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2K"	77.926316
"1112751"	341.075192	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2K+H"	78.933592
"1343670"	341.162807	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+DMSO+H"	79.021207
"1014387"	345.201976	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2ACN+H"	83.060376
"1531418"	346.195608	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+IsoProp+Na+H"	84.054008
"1000055"	173.104626	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+2ACN+2H"	84.067652
"1596747"	347.110228	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+K+HCOOH"	84.968628
"1420219"	377.141738	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+H+CF3COOH"	115.000138
"1152696"	193.617901	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+3ACN+2H"	125.094202
"1702248"	394.168285	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+NH4+CF3COOH"	132.026685
"1636805"	399.12368	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+Na+CF3COOH"	136.98208
"1572822"	415.09762	"C19537"	"Triethylene glycol diglycidyl ether;Etoglucid"	"C12H22O6"	"262.1416"	"M+K+CF3COOH"	152.95602
"807203"	228.0786	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M"	0
"986204"	209.06021	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-H2O-H"	-19.01839
"72258"	151.045124	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M-3H"	-3.021828
"511820"	227.071324	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M-3H"	-3.021828
"888528"	75.018924	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-3H"	-3.021828
"15672"	227.071324	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M-2H"	-2.014552
"454200"	341.110624	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M-2H"	-2.014552
"830667"	113.032024	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-2H"	-2.014552
"93453"	455.149924	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M-H"	-1.007276
"533747"	683.228524	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M-H"	-1.007276
"911016"	227.071324	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-H"	-1.007276
"62275"	472.176471	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M-2H+NH4"	16.019271
"501711"	700.255071	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M-2H+NH4"	16.019271
"873554"	244.097871	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-2H+NH4"	16.019271
"39267"	477.131866	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M-2H+Na"	20.974666
"486731"	705.210466	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M-2H+Na"	20.974666
"861005"	249.053266	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-2H+Na"	20.974666
"1621795"	249.053266	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Na-2H"	20.974666
"102701"	245.059663	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M-H+Cl"	33.962126
"540073"	359.098963	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M-H+Cl"	33.962126
"936872"	131.020363	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-H+Cl"	33.962126
"276521"	491.126602	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+Cl"	34.969402
"672224"	719.205202	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+Cl"	34.969402
"1279161"	263.048002	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Cl"	34.969402
"21717"	493.105806	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M-2H+K"	36.948606
"460182"	721.184406	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M-2H+K"	36.948606
"836891"	265.027206	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-2H+K"	36.948606
"1560382"	265.027206	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+K-2H"	36.948606
"948265"	273.076794	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-H+HCOOH"	44.998194
"375594"	501.155401	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+HCOOH-H"	44.998201
"355831"	515.171051	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+Hac-H"	59.013851
"1503571"	287.092451	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Hac-H"	59.013851
"968928"	295.058751	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-H+NaCOOH"	66.980151
"125606"	263.048002	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+2Cl"	69.938804
"564687"	377.087302	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+2Cl"	69.938804
"1028378"	149.008702	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2Cl"	69.938804
"1247958"	306.997485	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Br"	78.918885
"1315878"	309.053472	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Cl+HCOOH"	80.974872
"1326813"	331.035429	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Cl+NaCOOH"	102.956829
"920059"	341.064186	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M-H+CF3COOH"	112.985586
"1297865"	377.040864	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Cl+CF3COOH"	148.962264
"1374930"	193.065924	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H-2H2O"	-35.012676
"1392425"	211.0759	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H-H2O"	-17.0027
"291019"	457.164476	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+H"	1.007276
"687819"	685.243076	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+H"	1.007276
"1361617"	229.085876	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H"	1.007276
"137058"	229.085876	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+2H"	2.014552
"574428"	343.125176	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+2H"	2.014552
"1047602"	115.046576	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2H"	2.014552
"216597"	153.059676	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+3H"	3.021828
"652877"	229.085876	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+3H"	3.021828
"1171003"	77.033476	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+3H"	3.021828
"434275"	474.191023	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+NH4"	18.033823
"795271"	702.269623	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+NH4"	18.033823
"1687226"	246.112423	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+NH4"	18.033823
"340970"	237.5991495	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+H+NH4"	19.041099
"732299"	351.6384495	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+H+NH4"	19.041099
"1489401"	123.5598495	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H+NH4"	19.041099
"402613"	479.146418	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+Na"	22.989218
"764702"	707.225018	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+Na"	22.989218
"1612800"	251.067818	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Na"	22.989218
"322838"	240.076847	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+H+Na"	23.996494
"707970"	354.116147	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+H+Na"	23.996494
"1463253"	126.037547	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H+Na"	23.996494
"1057592"	84.36079	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2H+Na"	25.00377
"1264011"	261.112086	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+CH3OH+H"	33.033486
"383678"	495.120358	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+K"	38.963158
"745767"	723.198958	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+K"	38.963158
"1543445"	267.041758	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+K"	38.963158
"304996"	248.063817	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+H+K"	39.970434
"698512"	362.103117	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+H+K"	39.970434
"1452333"	134.024517	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H+K"	39.970434
"238383"	498.191026	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+ACN+H"	42.033826
"1214009"	270.112426	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+ACN+H"	42.033826
"1201904"	135.559851	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+ACN+2H"	43.041102
"196963"	501.12836	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+2Na-H"	44.97116
"634337"	729.20696	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+2Na-H"	44.97116
"1137842"	273.04976	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2Na-H"	44.97116
"177854"	251.067818	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+2Na"	45.978436
"623975"	365.107118	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+2Na"	45.978436
"1120921"	137.028518	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2Na"	45.978436
"1400435"	91.688104	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H+2Na"	46.985712
"1432550"	275.091346	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H+HCOOH"	47.012746
"223337"	256.10084	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+3H2O+2H"	56.04448
"1512131"	289.14339	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+IsoProp+H"	61.06479
"414004"	259.054788	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+Na+K"	61.952376
"776095"	373.094088	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+Na+K"	61.952376
"1670245"	145.015488	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Na+K"	61.952376
"262235"	520.172968	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+ACN+Na"	64.015768
"1237130"	292.094368	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+ACN+Na"	64.015768
"1724923"	292.117893	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+NH4+HCOOH"	64.039293
"1189185"	99.015418	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+3Na"	68.967654
"1664181"	297.073288	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Na+HCOOH"	68.994688
"169220"	533.07624	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+2K-H"	76.91904
"610968"	761.15484	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+2K-H"	76.91904
"1096574"	304.99764	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2K-H"	76.91904
"153389"	267.041758	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"2M+2K"	77.926316
"590763"	381.081058	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"3M+2K"	77.926316
"1078556"	153.002458	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2K"	77.926316
"1110671"	307.012192	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2K+H"	78.933592
"1341593"	307.099807	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+DMSO+H"	79.021207
"1015590"	311.138976	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2ACN+H"	83.060376
"1533714"	312.132608	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+IsoProp+Na+H"	84.054008
"1000165"	156.073126	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+2ACN+2H"	84.067652
"1596857"	313.047228	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+K+HCOOH"	84.968628
"1420329"	343.078738	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+H+CF3COOH"	115.000138
"1151714"	176.586401	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+3ACN+2H"	125.094202
"1700172"	360.105285	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+NH4+CF3COOH"	132.026685
"1636915"	365.06068	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+Na+CF3COOH"	136.98208
"1572568"	381.03462	"C19538"	"446-Trimethylangelicin"	"C14H12O3"	"228.0786"	"M+K+CF3COOH"	152.95602
"807313"	135.1048	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M"	0
"984126"	116.08641	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H2O-H"	-19.01839
"72368"	89.0625906666667	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-3H"	-3.021828
"508650"	134.097524	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-3H"	-3.021828
"891918"	44.0276573333333	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-3H"	-3.021828
"14504"	134.097524	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H"	-2.014552
"454311"	201.649924	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H"	-2.014552
"828953"	66.545124	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H"	-2.014552
"93686"	269.202324	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-H"	-1.007276
"533372"	404.307124	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-H"	-1.007276
"910927"	134.097524	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H"	-1.007276
"62628"	286.228871	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H+NH4"	16.019271
"501212"	421.333671	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H+NH4"	16.019271
"876945"	151.124071	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H+NH4"	16.019271
"39378"	291.184266	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H+Na"	20.974666
"486478"	426.289066	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H+Na"	20.974666
"863302"	156.079466	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H+Na"	20.974666
"1625185"	156.079466	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na-2H"	20.974666
"102811"	152.085863	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-H+Cl"	33.962126
"540183"	219.638263	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-H+Cl"	33.962126
"939169"	84.533463	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+Cl"	33.962126
"277724"	305.179002	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Cl"	34.969402
"674400"	440.283802	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+Cl"	34.969402
"1287655"	170.074202	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl"	34.969402
"30210"	307.158206	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H+K"	36.948606
"463573"	442.263006	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H+K"	36.948606
"846114"	172.053406	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H+K"	36.948606
"1562678"	172.053406	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K-2H"	36.948606
"951655"	180.102994	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+HCOOH"	44.998194
"375583"	315.207801	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+HCOOH-H"	44.998201
"358128"	329.223451	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Hac-H"	59.013851
"1506477"	194.118651	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Hac-H"	59.013851
"971225"	202.084951	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+NaCOOH"	66.980151
"125121"	170.074202	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2Cl"	69.938804
"564923"	237.626602	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2Cl"	69.938804
"1028488"	102.521802	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2Cl"	69.938804
"1249161"	214.023685	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Br"	78.918885
"1316718"	216.079672	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl+HCOOH"	80.974872
"1331296"	238.061629	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl+NaCOOH"	102.956829
"922723"	248.090386	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+CF3COOH"	112.985586
"1299068"	284.067064	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl+CF3COOH"	148.962264
"1378321"	100.092124	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H-2H2O"	-35.012676
"1394722"	118.1021	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H-H2O"	-17.0027
"287846"	271.216876	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H"	1.007276
"688659"	406.321676	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H"	1.007276
"1362092"	136.112076	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H"	1.007276
"137897"	136.112076	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2H"	2.014552
"571258"	203.664476	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2H"	2.014552
"1046619"	68.559676	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2H"	2.014552
"217072"	91.0771426666667	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+3H"	3.021828
"651894"	136.112076	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+3H"	3.021828
"1173299"	46.0422093333333	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+3H"	3.021828
"434385"	288.243423	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+NH4"	18.033823
"795381"	423.348223	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+NH4"	18.033823
"1689523"	153.138623	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+NH4"	18.033823
"337803"	144.6253495	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H+NH4"	19.041099
"736783"	212.1777495	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H+NH4"	19.041099
"1491335"	77.0729495	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+NH4"	19.041099
"408157"	293.198818	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Na"	22.989218
"768457"	428.303618	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+Na"	22.989218
"1616556"	158.094018	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na"	22.989218
"322947"	147.103047	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H+Na"	23.996494
"708203"	214.655447	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H+Na"	23.996494
"1465186"	79.550647	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+Na"	23.996494
"1060254"	53.3695233333333	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2H+Na"	25.00377
"1264122"	168.138286	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+CH3OH+H"	33.033486
"382695"	309.172758	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+K"	38.963158
"745877"	444.277558	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+K"	38.963158
"1542097"	174.067958	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K"	38.963158
"305108"	155.090017	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H+K"	39.970434
"698623"	222.642417	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H+K"	39.970434
"1450620"	87.537617	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+K"	39.970434
"238127"	312.243426	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+ACN+H"	42.033826
"1213023"	177.138626	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+ACN+H"	42.033826
"1204202"	89.072951	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+ACN+2H"	43.041102
"197073"	315.18076	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2Na-H"	44.97116
"638821"	450.28556	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2Na-H"	44.97116
"1141233"	180.07596	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2Na-H"	44.97116
"185619"	158.094018	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2Na"	45.978436
"621898"	225.646418	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2Na"	45.978436
"1121031"	90.541618	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2Na"	45.978436
"1401275"	60.6968373333333	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+2Na"	46.985712
"1433387"	182.117546	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+HCOOH"	47.012746
"223812"	163.12704	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+3H2O+2H"	56.04448
"1511876"	196.16959	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+IsoProp+H"	61.06479
"412655"	166.080988	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Na+K"	61.952376
"776205"	233.633388	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+Na+K"	61.952376
"1669627"	98.528588	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na+K"	61.952376
"265627"	334.225368	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+ACN+Na"	64.015768
"1238334"	199.120568	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+ACN+Na"	64.015768
"1725033"	199.144093	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+NH4+HCOOH"	64.039293
"1189295"	68.0241513333333	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+3Na"	68.967654
"1664534"	204.099488	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na+HCOOH"	68.994688
"171517"	347.12864	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2K-H"	76.91904
"612171"	482.23344	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2K-H"	76.91904
"1096684"	212.02384	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2K-H"	76.91904
"153499"	174.067958	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2K"	77.926316
"594032"	241.620358	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2K"	77.926316
"1078666"	106.515558	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2K"	77.926316
"1110781"	214.038392	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2K+H"	78.933592
"1344983"	214.126007	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+DMSO+H"	79.021207
"1015700"	218.165176	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2ACN+H"	83.060376
"1533823"	219.158808	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+IsoProp+Na+H"	84.054008
"1003555"	109.586226	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2ACN+2H"	84.067652
"1596967"	220.073428	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K+HCOOH"	84.968628
"1419346"	250.104938	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+CF3COOH"	115.000138
"1151823"	130.099501	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+3ACN+2H"	125.094202
"1701375"	267.131485	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+NH4+CF3COOH"	132.026685
"1637025"	272.08688	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na+CF3COOH"	136.98208
"1572678"	288.06082	"C19539"	"245-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K+CF3COOH"	152.95602
"813984"	135.1048	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M"	0
"982049"	116.08641	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H2O-H"	-19.01839
"76488"	89.0625906666667	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-3H"	-3.021828
"509854"	134.097524	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-3H"	-3.021828
"894946"	44.0276573333333	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-3H"	-3.021828
"12793"	134.097524	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H"	-2.014552
"452356"	201.649924	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H"	-2.014552
"827970"	66.545124	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H"	-2.014552
"93758"	269.202324	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-H"	-1.007276
"534051"	404.307124	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-H"	-1.007276
"910997"	134.097524	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H"	-1.007276
"62579"	286.228871	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H+NH4"	16.019271
"502586"	421.333671	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H+NH4"	16.019271
"874868"	151.124071	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H+NH4"	16.019271
"41676"	291.184266	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H+Na"	20.974666
"486923"	426.289066	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H+Na"	20.974666
"857946"	156.079466	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H+Na"	20.974666
"1625295"	156.079466	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na-2H"	20.974666
"102921"	152.085863	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-H+Cl"	33.962126
"541386"	219.638263	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-H+Cl"	33.962126
"940372"	84.533463	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+Cl"	33.962126
"276741"	305.179002	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Cl"	34.969402
"674510"	440.283802	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+Cl"	34.969402
"1288295"	170.074202	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl"	34.969402
"29592"	307.158206	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M-2H+K"	36.948606
"464776"	442.263006	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M-2H+K"	36.948606
"846226"	172.053406	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-2H+K"	36.948606
"1563882"	172.053406	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K-2H"	36.948606
"952131"	180.102994	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+HCOOH"	44.998194
"376671"	315.207801	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+HCOOH-H"	44.998201
"358607"	329.223451	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Hac-H"	59.013851
"1508131"	194.118651	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Hac-H"	59.013851
"973400"	202.084951	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+NaCOOH"	66.980151
"125313"	170.074202	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2Cl"	69.938804
"565478"	237.626602	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2Cl"	69.938804
"1034068"	102.521802	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2Cl"	69.938804
"1249271"	214.023685	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Br"	78.918885
"1317192"	216.079672	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl+HCOOH"	80.974872
"1331406"	238.061629	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl+NaCOOH"	102.956829
"921008"	248.090386	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M-H+CF3COOH"	112.985586
"1299178"	284.067064	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Cl+CF3COOH"	148.962264
"1376244"	100.092124	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H-2H2O"	-35.012676
"1394831"	118.1021	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H-H2O"	-17.0027
"289049"	271.216876	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H"	1.007276
"688405"	406.321676	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H"	1.007276
"1361473"	136.112076	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H"	1.007276
"137643"	136.112076	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2H"	2.014552
"573554"	203.664476	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2H"	2.014552
"1046729"	68.559676	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2H"	2.014552
"214630"	91.0771426666667	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+3H"	3.021828
"652004"	136.112076	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+3H"	3.021828
"1167943"	46.0422093333333	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+3H"	3.021828
"430121"	288.243423	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+NH4"	18.033823
"792211"	423.348223	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+NH4"	18.033823
"1685261"	153.138623	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+NH4"	18.033823
"337914"	144.6253495	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H+NH4"	19.041099
"735073"	212.1777495	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H+NH4"	19.041099
"1489620"	77.0729495	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+NH4"	19.041099
"407209"	293.198818	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Na"	22.989218
"766015"	428.303618	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+Na"	22.989218
"1610832"	158.094018	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na"	22.989218
"324151"	147.103047	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H+Na"	23.996494
"707257"	214.655447	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H+Na"	23.996494
"1462380"	79.550647	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+Na"	23.996494
"1059271"	53.3695233333333	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2H+Na"	25.00377
"1263139"	168.138286	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+CH3OH+H"	33.033486
"381712"	309.172758	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+K"	38.963158
"742707"	444.277558	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+K"	38.963158
"1542207"	174.067958	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K"	38.963158
"299750"	155.090017	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+H+K"	39.970434
"692536"	222.642417	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+H+K"	39.970434
"1449274"	87.537617	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+K"	39.970434
"238968"	312.243426	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+ACN+H"	42.033826
"1214593"	177.138626	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+ACN+H"	42.033826
"1205404"	89.072951	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+ACN+2H"	43.041102
"196089"	315.18076	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2Na-H"	44.97116
"632733"	450.28556	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2Na-H"	44.97116
"1141344"	180.07596	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2Na-H"	44.97116
"180261"	158.094018	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2Na"	45.978436
"619821"	225.646418	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2Na"	45.978436
"1121141"	90.541618	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2Na"	45.978436
"1401384"	60.6968373333333	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+2Na"	46.985712
"1434592"	182.117546	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+HCOOH"	47.012746
"223557"	163.12704	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+3H2O+2H"	56.04448
"1513444"	196.16959	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+IsoProp+H"	61.06479
"412401"	166.080988	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+Na+K"	61.952376
"773034"	233.633388	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+Na+K"	61.952376
"1670466"	98.528588	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na+K"	61.952376
"267000"	334.225368	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+ACN+Na"	64.015768
"1241197"	199.120568	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+ACN+Na"	64.015768
"1728240"	199.144093	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+NH4+HCOOH"	64.039293
"1194011"	68.0241513333333	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+3Na"	68.967654
"1665301"	204.099488	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na+HCOOH"	68.994688
"172198"	347.12864	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2K-H"	76.91904
"611191"	482.23344	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2K-H"	76.91904
"1096794"	212.02384	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2K-H"	76.91904
"156284"	174.067958	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"2M+2K"	77.926316
"595236"	241.620358	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"3M+2K"	77.926316
"1083030"	106.515558	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2K"	77.926316
"1115472"	214.038392	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2K+H"	78.933592
"1345093"	214.126007	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+DMSO+H"	79.021207
"1015811"	218.165176	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2ACN+H"	83.060376
"1535028"	219.158808	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+IsoProp+Na+H"	84.054008
"999289"	109.586226	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+2ACN+2H"	84.067652
"1597077"	220.073428	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K+HCOOH"	84.968628
"1423831"	250.104938	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+H+CF3COOH"	115.000138
"1156307"	130.099501	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+3ACN+2H"	125.094202
"1701484"	267.131485	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+NH4+CF3COOH"	132.026685
"1636043"	272.08688	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+Na+CF3COOH"	136.98208
"1573879"	288.06082	"C19540"	"246-Trimethylaniline"	"C9H13N"	"135.1048"	"M+K+CF3COOH"	152.95602
"810814"	228.0939	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M"	0
"977786"	209.07551	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-H2O-H"	-19.01839
"70402"	151.055324	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M-3H"	-3.021828
"509964"	227.086624	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M-3H"	-3.021828
"889952"	75.024024	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-3H"	-3.021828
"11810"	227.086624	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M-2H"	-2.014552
"446997"	341.133574	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M-2H"	-2.014552
"829538"	113.039674	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-2H"	-2.014552
"92079"	455.180524	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M-H"	-1.007276
"531642"	683.274424	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M-H"	-1.007276
"908713"	227.086624	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-H"	-1.007276
"54341"	472.207071	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M-2H+NH4"	16.019271
"501314"	700.300971	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M-2H+NH4"	16.019271
"874978"	244.113171	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-2H+NH4"	16.019271
"40692"	477.162466	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M-2H+Na"	20.974666
"484629"	705.256366	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M-2H+Na"	20.974666
"859149"	249.068566	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-2H+Na"	20.974666
"1621030"	249.068566	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Na-2H"	20.974666
"98655"	245.074963	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M-H+Cl"	33.962126
"539309"	359.121913	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M-H+Cl"	33.962126
"939389"	131.028013	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-H+Cl"	33.962126
"275758"	491.157202	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+Cl"	34.969402
"672554"	719.251102	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+Cl"	34.969402
"1287145"	263.063302	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Cl"	34.969402
"28607"	493.136406	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M-2H+K"	36.948606
"459419"	721.230306	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M-2H+K"	36.948606
"840502"	265.042506	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-2H+K"	36.948606
"1562899"	265.042506	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+K-2H"	36.948606
"950782"	273.092094	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-H+HCOOH"	44.998194
"374467"	501.186001	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+HCOOH-H"	44.998201
"356165"	515.201651	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+Hac-H"	59.013851
"1506454"	287.107751	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Hac-H"	59.013851
"973146"	295.074051	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-H+NaCOOH"	66.980151
"125341"	263.063302	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+2Cl"	69.938804
"565465"	377.110252	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+2Cl"	69.938804
"1034178"	149.016352	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2Cl"	69.938804
"1247195"	307.012785	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Br"	78.918885
"1312928"	309.068772	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Cl+HCOOH"	80.974872
"1330422"	331.050729	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Cl+NaCOOH"	102.956829
"917472"	341.079486	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M-H+CF3COOH"	112.985586
"1298195"	377.056164	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Cl+CF3COOH"	148.962264
"1374166"	193.081224	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H-2H2O"	-35.012676
"1389474"	211.0912	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H-H2O"	-17.0027
"289159"	457.195076	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+H"	1.007276
"687786"	685.288976	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+H"	1.007276
"1362312"	229.101176	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H"	1.007276
"137753"	229.101176	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+2H"	2.014552
"573664"	343.148126	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+2H"	2.014552
"1043559"	115.054226	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2H"	2.014552
"214740"	153.069876	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+3H"	3.021828
"647011"	229.101176	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+3H"	3.021828
"1165500"	77.038576	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+3H"	3.021828
"425858"	474.221623	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+NH4"	18.033823
"787947"	702.315523	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+NH4"	18.033823
"1685369"	246.127723	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+NH4"	18.033823
"335837"	237.6144495	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+H+NH4"	19.041099
"730443"	351.6613995	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+H+NH4"	19.041099
"1478795"	123.5674995	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H+NH4"	19.041099
"399663"	479.177018	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+Na"	22.989218
"758471"	707.270918	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+Na"	22.989218
"1605475"	251.083118	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Na"	22.989218
"315876"	240.092147	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+H+Na"	23.996494
"708059"	354.139097	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+H+Na"	23.996494
"1461872"	126.045197	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H+Na"	23.996494
"1052970"	84.36589	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2H+Na"	25.00377
"1261061"	261.127386	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+CH3OH+H"	33.033486
"380363"	495.150958	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+K"	38.963158
"740629"	723.244858	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+K"	38.963158
"1541222"	267.057058	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+K"	38.963158
"298838"	248.079117	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+H+K"	39.970434
"693008"	362.126067	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+H+K"	39.970434
"1450476"	134.032167	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H+K"	39.970434
"240171"	498.221626	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+ACN+H"	42.033826
"1210116"	270.127726	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+ACN+H"	42.033826
"1201140"	135.567501	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+ACN+2H"	43.041102
"189391"	501.15896	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+2Na-H"	44.97116
"630655"	729.25286	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+2Na-H"	44.97116
"1131970"	273.06506	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2Na-H"	44.97116
"174536"	251.083118	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+2Na"	45.978436
"615189"	365.130068	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+2Na"	45.978436
"1121251"	137.036168	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2Na"	45.978436
"1400398"	91.693204	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H+2Na"	46.985712
"1432146"	275.106646	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H+HCOOH"	47.012746
"220746"	256.11614	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+3H2O+2H"	56.04448
"1508810"	289.15869	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+IsoProp+H"	61.06479
"409351"	259.070088	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+Na+K"	61.952376
"773144"	373.117038	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+Na+K"	61.952376
"1665752"	145.023138	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Na+K"	61.952376
"261471"	520.203568	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+ACN+Na"	64.015768
"1240741"	292.109668	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+ACN+Na"	64.015768
"1727441"	292.133193	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+NH4+HCOOH"	64.039293
"1193889"	99.020518	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+3Na"	68.967654
"1665245"	297.088588	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Na+HCOOH"	68.994688
"172347"	533.10684	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+2K-H"	76.91904
"611545"	761.20074	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+2K-H"	76.91904
"1096904"	305.01294	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2K-H"	76.91904
"155906"	267.057058	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"2M+2K"	77.926316
"595225"	381.104008	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"3M+2K"	77.926316
"1083019"	153.010108	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2K"	77.926316
"1115013"	307.027492	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2K+H"	78.933592
"1344110"	307.115107	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+DMSO+H"	79.021207
"1014827"	311.154276	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2ACN+H"	83.060376
"1536231"	312.147908	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+IsoProp+Na+H"	84.054008
"997212"	156.080776	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+2ACN+2H"	84.067652
"1595000"	313.062528	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+K+HCOOH"	84.968628
"1418474"	343.094038	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+H+CF3COOH"	115.000138
"1149857"	176.594051	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+3ACN+2H"	125.094202
"1697463"	360.120585	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+NH4+CF3COOH"	132.026685
"1634329"	365.07598	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+Na+CF3COOH"	136.98208
"1571798"	381.04992	"C19541"	"Triphenylene"	"C18H12"	"228.0939"	"M+K+CF3COOH"	152.95602
"810924"	231.1008	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M"	0
"974616"	212.08241	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-H2O-H"	-19.01839
"70512"	153.059924	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M-3H"	-3.021828
"504607"	230.093524	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M-3H"	-3.021828
"887875"	76.026324	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-3H"	-3.021828
"10827"	230.093524	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M-2H"	-2.014552
"447107"	345.643924	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M-2H"	-2.014552
"824908"	114.543124	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-2H"	-2.014552
"90366"	461.194324	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M-H"	-1.007276
"530901"	692.295124	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M-H"	-1.007276
"905543"	230.093524	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-H"	-1.007276
"54451"	478.220871	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M-2H+NH4"	16.019271
"500087"	709.321671	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M-2H+NH4"	16.019271
"871808"	247.120071	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-2H+NH4"	16.019271
"45056"	483.176266	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M-2H+Na"	20.974666
"485226"	714.277066	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M-2H+Na"	20.974666
"857073"	252.075466	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-2H+Na"	20.974666
"1624420"	252.075466	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Na-2H"	20.974666
"98765"	248.081863	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M-H+Cl"	33.962126
"539419"	363.632263	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M-H+Cl"	33.962126
"938406"	132.531463	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-H+Cl"	33.962126
"276961"	497.171002	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+Cl"	34.969402
"674730"	728.271802	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+Cl"	34.969402
"1286892"	266.070202	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Cl"	34.969402
"29083"	499.150206	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M-2H+K"	36.948606
"461716"	730.251006	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M-2H+K"	36.948606
"841705"	268.049406	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-2H+K"	36.948606
"1563009"	268.049406	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+K-2H"	36.948606
"953444"	276.098994	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-H+HCOOH"	44.998194
"375307"	507.199801	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+HCOOH-H"	44.998201
"357003"	521.215451	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+Hac-H"	59.013851
"1505834"	290.114651	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Hac-H"	59.013851
"971554"	298.080951	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-H+NaCOOH"	66.980151
"124112"	266.070202	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+2Cl"	69.938804
"565010"	381.620602	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+2Cl"	69.938804
"1034288"	150.519802	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2Cl"	69.938804
"1247305"	310.019685	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Br"	78.918885
"1313038"	312.075672	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Cl+HCOOH"	80.974872
"1330898"	334.057629	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Cl+NaCOOH"	102.956829
"919404"	344.086386	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M-H+CF3COOH"	112.985586
"1299398"	380.063064	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Cl+CF3COOH"	148.962264
"1373183"	196.088124	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H-2H2O"	-35.012676
"1389584"	214.0981	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H-H2O"	-17.0027
"292549"	463.208876	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+H"	1.007276
"687532"	694.309676	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+H"	1.007276
"1360234"	232.108076	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H"	1.007276
"137498"	232.108076	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+2H"	2.014552
"573774"	347.658476	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+2H"	2.014552
"1043669"	116.557676	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2H"	2.014552
"211570"	155.074476	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+3H"	3.021828
"648943"	232.108076	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+3H"	3.021828
"1164517"	78.040876	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+3H"	3.021828
"425968"	480.235423	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+NH4"	18.033823
"788057"	711.336223	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+NH4"	18.033823
"1685479"	249.134623	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+NH4"	18.033823
"332667"	240.6213495	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+H+NH4"	19.041099
"725086"	356.1717495	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+H+NH4"	19.041099
"1479270"	125.0709495	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H+NH4"	19.041099
"403052"	485.190818	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+Na"	22.989218
"759674"	716.291618	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+Na"	22.989218
"1607772"	254.090018	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Na"	22.989218
"323276"	243.099047	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+H+Na"	23.996494
"708408"	358.649447	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+H+Na"	23.996494
"1461814"	127.548647	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H+Na"	23.996494
"1053280"	85.36819	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2H+Na"	25.00377
"1257317"	264.134286	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+CH3OH+H"	33.033486
"379380"	501.164758	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+K"	38.963158
"741467"	732.265558	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+K"	38.963158
"1540148"	270.063958	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+K"	38.963158
"298621"	251.086017	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+H+K"	39.970434
"692061"	366.636417	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+H+K"	39.970434
"1450950"	135.535617	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H+K"	39.970434
"240281"	504.235426	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+ACN+H"	42.033826
"1210432"	273.134626	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+ACN+H"	42.033826
"1196506"	137.070951	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+ACN+2H"	43.041102
"189743"	507.17276	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+2Na-H"	44.97116
"629421"	738.27356	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+2Na-H"	44.97116
"1134270"	276.07196	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2Na-H"	44.97116
"173265"	254.090018	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+2Na"	45.978436
"614204"	369.640418	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+2Na"	45.978436
"1118445"	138.539618	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2Na"	45.978436
"1400508"	92.695504	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H+2Na"	46.985712
"1430432"	278.113546	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H+HCOOH"	47.012746
"221219"	259.12304	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+3H2O+2H"	56.04448
"1509644"	292.16559	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+IsoProp+H"	61.06479
"409700"	262.076988	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+Na+K"	61.952376
"770692"	377.627388	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+Na+K"	61.952376
"1666185"	146.526588	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Na+K"	61.952376
"262674"	526.217368	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+ACN+Na"	64.015768
"1238664"	295.116568	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+ACN+Na"	64.015768
"1727430"	295.140093	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+NH4+HCOOH"	64.039293
"1193757"	100.022818	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+3Na"	68.967654
"1665313"	300.095488	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Na+HCOOH"	68.994688
"170754"	539.12064	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+2K-H"	76.91904
"612260"	770.22144	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+2K-H"	76.91904
"1095921"	308.01984	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2K-H"	76.91904
"155653"	270.063958	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"2M+2K"	77.926316
"596307"	385.614358	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"3M+2K"	77.926316
"1081185"	154.513558	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2K"	77.926316
"1115454"	310.034392	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2K+H"	78.933592
"1348593"	310.122007	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+DMSO+H"	79.021207
"1016031"	314.161176	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2ACN+H"	83.060376
"1534154"	315.154808	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+IsoProp+Na+H"	84.054008
"996229"	157.584226	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+2ACN+2H"	84.067652
"1595109"	316.069428	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+K+HCOOH"	84.968628
"1417490"	346.100938	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+H+CF3COOH"	115.000138
"1149967"	178.097501	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+3ACN+2H"	125.094202
"1697331"	363.127485	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+NH4+CF3COOH"	132.026685
"1635290"	368.08288	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+Na+CF3COOH"	136.98208
"1571910"	384.05682	"C19542"	"Triaziquone;Tris(aziridinyl)-para-benzoquinone"	"C12H13N3O2"	"231.1008"	"M+K+CF3COOH"	152.95602
"811034"	173.0718	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M"	0
"974726"	154.05341	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-H2O-H"	-19.01839
"70622"	114.373924	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M-3H"	-3.021828
"504717"	172.064524	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M-3H"	-3.021828
"891265"	56.683324	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-3H"	-3.021828
"9844"	172.064524	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M-2H"	-2.014552
"447217"	258.600424	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M-2H"	-2.014552
"825018"	85.528624	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-2H"	-2.014552
"87196"	345.136324	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M-H"	-1.007276
"524572"	518.208124	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M-H"	-1.007276
"907840"	172.064524	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-H"	-1.007276
"54561"	362.162871	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M-2H+NH4"	16.019271
"500683"	535.234671	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M-2H+NH4"	16.019271
"873016"	189.091071	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-2H+NH4"	16.019271
"45776"	367.118266	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M-2H+Na"	20.974666
"483755"	540.190066	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M-2H+Na"	20.974666
"856089"	194.046466	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-2H+Na"	20.974666
"1623436"	194.046466	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Na-2H"	20.974666
"94986"	190.052863	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M-H+Cl"	33.962126
"534868"	276.588763	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M-H+Cl"	33.962126
"930857"	103.516963	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-H+Cl"	33.962126
"271601"	381.113002	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+Cl"	34.969402
"661838"	554.184802	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+Cl"	34.969402
"1284083"	208.041202	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Cl"	34.969402
"27733"	383.092206	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M-2H+K"	36.948606
"459640"	556.164006	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M-2H+K"	36.948606
"836348"	210.020406	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-2H+K"	36.948606
"1563119"	210.020406	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+K-2H"	36.948606
"954282"	218.069994	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-H+HCOOH"	44.998194
"370311"	391.141801	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+HCOOH-H"	44.998201
"358206"	405.157451	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+Hac-H"	59.013851
"1505215"	232.085651	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Hac-H"	59.013851
"972032"	240.051951	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-H+NaCOOH"	66.980151
"122766"	208.041202	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+2Cl"	69.938804
"563420"	294.577102	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+2Cl"	69.938804
"1035491"	121.505302	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2Cl"	69.938804
"1253977"	251.990685	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Br"	78.918885
"1316424"	254.046672	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Cl+HCOOH"	80.974872
"1330643"	276.028629	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Cl+NaCOOH"	102.956829
"921702"	286.057386	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M-H+CF3COOH"	112.985586
"1299508"	322.034064	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Cl+CF3COOH"	148.962264
"1376573"	138.059124	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H-2H2O"	-35.012676
"1388601"	156.0691	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H-H2O"	-17.0027
"289379"	347.150876	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+H"	1.007276
"686180"	520.222676	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+H"	1.007276
"1361438"	174.079076	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H"	1.007276
"135785"	174.079076	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+2H"	2.014552
"574977"	260.614976	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+2H"	2.014552
"1042685"	87.543176	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2H"	2.014552
"208400"	116.388476	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+3H"	3.021828
"649054"	174.079076	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+3H"	3.021828
"1165357"	58.697876	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+3H"	3.021828
"426442"	364.177423	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+NH4"	18.033823
"787803"	537.249223	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+NH4"	18.033823
"1686685"	191.105623	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+NH4"	18.033823
"333141"	182.5923495	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+H+NH4"	19.041099
"728477"	269.1282495	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+H+NH4"	19.041099
"1479744"	96.0564495	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H+NH4"	19.041099
"404255"	369.132818	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+Na"	22.989218
"758325"	542.204618	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+Na"	22.989218
"1607882"	196.061018	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Na"	22.989218
"326666"	185.070047	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+H+Na"	23.996494
"711433"	271.605947	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+H+Na"	23.996494
"1464159"	98.534147	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H+Na"	23.996494
"1053513"	66.02519	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2H+Na"	25.00377
"1258109"	206.105286	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+CH3OH+H"	33.033486
"377783"	385.106758	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+K"	38.963158
"740239"	558.178558	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+K"	38.963158
"1540588"	212.034958	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+K"	38.963158
"298979"	193.057017	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+H+K"	39.970434
"692495"	279.592917	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+H+K"	39.970434
"1448141"	106.521117	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H+K"	39.970434
"238567"	388.177426	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+ACN+H"	42.033826
"1210783"	215.105626	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+ACN+H"	42.033826
"1196007"	108.056451	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+ACN+2H"	43.041102
"189487"	391.11476	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+2Na-H"	44.97116
"629774"	564.18656	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+2Na-H"	44.97116
"1134377"	218.04296	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2Na-H"	44.97116
"175116"	196.061018	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+2Na"	45.978436
"615406"	282.596918	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+2Na"	45.978436
"1118919"	109.525118	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2Na"	45.978436
"1399519"	73.352504	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H+2Na"	46.985712
"1430907"	220.084546	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H+HCOOH"	47.012746
"222424"	201.09404	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+3H2O+2H"	56.04448
"1512307"	234.13659	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+IsoProp+H"	61.06479
"410539"	204.047988	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+Na+K"	61.952376
"771532"	290.583888	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+Na+K"	61.952376
"1667148"	117.512088	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Na+K"	61.952376
"262784"	410.159368	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+ACN+Na"	64.015768
"1237318"	237.087568	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+ACN+Na"	64.015768
"1725841"	237.111093	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+NH4+HCOOH"	64.039293
"1192653"	80.679818	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+3Na"	68.967654
"1664618"	242.066488	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Na+HCOOH"	68.994688
"170865"	423.06264	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+2K-H"	76.91904
"611398"	596.13444	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+2K-H"	76.91904
"1096031"	249.99084	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2K-H"	76.91904
"154791"	212.034958	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"2M+2K"	77.926316
"596175"	298.570858	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"3M+2K"	77.926316
"1082997"	125.499058	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2K"	77.926316
"1115402"	252.005392	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2K+H"	78.933592
"1350042"	252.093007	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+DMSO+H"	79.021207
"1017234"	256.132176	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2ACN+H"	83.060376
"1534264"	257.125808	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+IsoProp+Na+H"	84.054008
"998526"	128.569726	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+2ACN+2H"	84.067652
"1593033"	258.040428	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+K+HCOOH"	84.968628
"1416507"	288.071938	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+H+CF3COOH"	115.000138
"1150075"	149.083001	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+3ACN+2H"	125.094202
"1697441"	305.098485	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+NH4+CF3COOH"	132.026685
"1635278"	310.05388	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+Na+CF3COOH"	136.98208
"1571777"	326.02782	"C19543"	"Tris(1-aziridinyl)phosphine oxide;TEPA;APO"	"C6H12N3OP"	"173.0718"	"M+K+CF3COOH"	152.95602
"814426"	235.9774	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M"	0
"978116"	216.95901	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-H2O-H"	-19.01839
"74012"	156.310990666667	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M-3H"	-3.021828
"509201"	234.970124	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M-3H"	-3.021828
"891375"	77.6518573333333	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-3H"	-3.021828
"9951"	234.970124	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M-2H"	-2.014552
"450608"	352.958824	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M-2H"	-2.014552
"825128"	116.981424	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-2H"	-2.014552
"87306"	470.947524	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M-H"	-1.007276
"524682"	706.924924	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M-H"	-1.007276
"905763"	234.970124	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-H"	-1.007276
"61231"	487.974071	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M-2H+NH4"	16.019271
"502214"	723.951471	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M-2H+NH4"	16.019271
"879330"	251.996671	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-2H+NH4"	16.019271
"44305"	492.929466	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M-2H+Na"	20.974666
"484957"	728.906866	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M-2H+Na"	20.974666
"856199"	256.952066	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-2H+Na"	20.974666
"1624640"	256.952066	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Na-2H"	20.974666
"96798"	252.958463	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M-H+Cl"	33.962126
"537451"	370.947163	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M-H+Cl"	33.962126
"930968"	134.969763	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-H+Cl"	33.962126
"271711"	506.924202	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+Cl"	34.969402
"665228"	742.901602	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+Cl"	34.969402
"1280913"	270.946802	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Cl"	34.969402
"25657"	508.903406	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M-2H+K"	36.948606
"460844"	744.880806	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M-2H+K"	36.948606
"844844"	272.926006	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-2H+K"	36.948606
"1565415"	272.926006	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+K-2H"	36.948606
"955486"	280.975594	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-H+HCOOH"	44.998194
"370421"	516.953001	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+HCOOH-H"	44.998201
"358681"	530.968651	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+Hac-H"	59.013851
"1499856"	294.991251	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Hac-H"	59.013851
"969587"	302.957551	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-H+NaCOOH"	66.980151
"117401"	270.946802	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+2Cl"	69.938804
"561336"	388.935502	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+2Cl"	69.938804
"1029038"	152.958102	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2Cl"	69.938804
"1252992"	314.896285	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Br"	78.918885
"1312158"	316.952272	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Cl+HCOOH"	80.974872
"1332574"	338.934229	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Cl+NaCOOH"	102.956829
"918532"	348.962986	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M-H+CF3COOH"	112.985586
"1302900"	384.939664	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Cl+CF3COOH"	148.962264
"1374497"	200.964724	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H-2H2O"	-35.012676
"1388711"	218.9747	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H-H2O"	-17.0027
"285479"	472.962076	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+H"	1.007276
"683006"	708.939476	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+H"	1.007276
"1364100"	236.984676	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H"	1.007276
"136260"	236.984676	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+2H"	2.014552
"571807"	354.973376	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+2H"	2.014552
"1043888"	118.995976	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2H"	2.014552
"208510"	158.325542666667	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+3H"	3.021828
"649164"	236.984676	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+3H"	3.021828
"1168383"	79.6664093333333	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+3H"	3.021828
"427283"	489.988623	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+NH4"	18.033823
"787549"	725.966023	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+NH4"	18.033823
"1684241"	254.011223	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+NH4"	18.033823
"332517"	245.4979495	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+H+NH4"	19.041099
"724576"	363.4866495	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+H+NH4"	19.041099
"1482406"	127.5092495	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H+NH4"	19.041099
"405095"	494.944018	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+Na"	22.989218
"758435"	730.921418	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+Na"	22.989218
"1606898"	258.966618	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Na"	22.989218
"323496"	247.975647	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+H+Na"	23.996494
"711544"	365.964347	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+H+Na"	23.996494
"1464269"	129.986947	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H+Na"	23.996494
"1053624"	86.9937233333333	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2H+Na"	25.00377
"1258095"	269.010886	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+CH3OH+H"	33.033486
"379960"	510.917958	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+K"	38.963158
"743144"	746.895358	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+K"	38.963158
"1541307"	274.940558	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+K"	38.963158
"300548"	255.962617	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+H+K"	39.970434
"693336"	373.951317	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+H+K"	39.970434
"1448254"	137.973917	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H+K"	39.970434
"238313"	513.988626	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+ACN+H"	42.033826
"1212114"	278.011226	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+ACN+H"	42.033826
"1195998"	139.509251	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+ACN+2H"	43.041102
"188870"	516.92596	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+2Na-H"	44.97116
"632077"	752.90336	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+2Na-H"	44.97116
"1134125"	280.94856	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2Na-H"	44.97116
"174499"	258.966618	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+2Na"	45.978436
"613695"	376.955318	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+2Na"	45.978436
"1119393"	140.977918	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2Na"	45.978436
"1400116"	94.3210373333333	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H+2Na"	46.985712
"1432840"	282.990146	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H+HCOOH"	47.012746
"220710"	263.99964	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+3H2O+2H"	56.04448
"1510235"	297.04219	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+IsoProp+H"	61.06479
"410648"	266.953588	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+Na+K"	61.952376
"771642"	384.942288	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+Na+K"	61.952376
"1668352"	148.964888	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Na+K"	61.952376
"260711"	535.970568	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+ACN+Na"	64.015768
"1238523"	299.993168	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+ACN+Na"	64.015768
"1723035"	300.016693	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+NH4+HCOOH"	64.039293
"1190210"	101.648351333333	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+3Na"	68.967654
"1664479"	304.972088	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Na+HCOOH"	68.994688
"171949"	548.87384	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+2K-H"	76.91904
"612115"	784.85124	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+2K-H"	76.91904
"1095048"	312.89644	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2K-H"	76.91904
"155994"	274.940558	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"2M+2K"	77.926316
"596406"	392.929258	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"3M+2K"	77.926316
"1082377"	156.951858	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2K"	77.926316
"1114985"	314.910992	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2K+H"	78.933592
"1349905"	314.998607	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+DMSO+H"	79.021207
"1017344"	319.037776	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2ACN+H"	83.060376
"1535467"	320.031408	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+IsoProp+Na+H"	84.054008
"997544"	160.022526	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+2ACN+2H"	84.067652
"1595330"	320.946028	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+K+HCOOH"	84.968628
"1416617"	350.977538	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+H+CF3COOH"	115.000138
"1152372"	180.535801	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+3ACN+2H"	125.094202
"1697551"	368.004085	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+NH4+CF3COOH"	132.026685
"1636481"	372.95948	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+Na+CF3COOH"	136.98208
"1571766"	388.93342	"C19544"	"123-Tris(chloromethoxy)propane"	"C6H11Cl3O3"	"235.9774"	"M+K+CF3COOH"	152.95602
"804692"	332.0837	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M"	0
"978226"	313.06531	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-H2O-H"	-19.01839
"70842"	220.381857333333	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M-3H"	-3.021828
"512591"	331.076424	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M-3H"	-3.021828
"889298"	109.687290666667	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-3H"	-3.021828
"12247"	331.076424	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M-2H"	-2.014552
"448532"	497.118274	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M-2H"	-2.014552
"825238"	165.034574	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-2H"	-2.014552
"89603"	663.160124	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M-H"	-1.007276
"521512"	995.243824	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M-H"	-1.007276
"909152"	331.076424	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-H"	-1.007276
"54781"	680.186671	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M-2H+NH4"	16.019271
"501632"	1012.270371	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M-2H+NH4"	16.019271
"876516"	348.102971	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-2H+NH4"	16.019271
"44415"	685.142066	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M-2H+Na"	20.974666
"480694"	1017.225766	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M-2H+Na"	20.974666
"854123"	353.058366	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-2H+Na"	20.974666
"1622564"	353.058366	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Na-2H"	20.974666
"98001"	349.064763	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M-H+Cl"	33.962126
"537561"	515.106613	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M-H+Cl"	33.962126
"931078"	183.022913	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-H+Cl"	33.962126
"271821"	699.136802	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+Cl"	34.969402
"661445"	1031.220502	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+Cl"	34.969402
"1281023"	367.053102	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Cl"	34.969402
"24674"	701.116006	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M-2H+K"	36.948606
"460954"	1033.199706	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M-2H+K"	36.948606
"838757"	369.032306	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-2H+K"	36.948606
"1564431"	369.032306	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+K-2H"	36.948606
"949035"	377.081894	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-H+HCOOH"	44.998194
"371624"	709.165601	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+HCOOH-H"	44.998201
"358789"	723.181251	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+Hac-H"	59.013851
"1499966"	391.097551	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Hac-H"	59.013851
"971883"	399.063851	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-H+NaCOOH"	66.980151
"118604"	367.053102	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+2Cl"	69.938804
"562175"	533.094952	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+2Cl"	69.938804
"1029148"	201.011252	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2Cl"	69.938804
"1253102"	411.002585	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Br"	78.918885
"1312268"	413.058572	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Cl+HCOOH"	80.974872
"1326487"	435.040529	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Cl+NaCOOH"	102.956829
"915724"	445.069286	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M-H+CF3COOH"	112.985586
"1296447"	481.045964	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Cl+CF3COOH"	148.962264
"1371325"	297.071024	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H-2H2O"	-35.012676
"1385901"	315.081	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H-H2O"	-17.0027
"286681"	665.174676	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+H"	1.007276
"678741"	997.258376	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+H"	1.007276
"1364210"	333.090976	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H"	1.007276
"136734"	333.090976	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+2H"	2.014552
"571916"	499.132826	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+2H"	2.014552
"1041083"	167.049126	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2H"	2.014552
"208620"	222.396409333333	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+3H"	3.021828
"645628"	333.090976	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+3H"	3.021828
"1165213"	111.701842666667	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+3H"	3.021828
"424517"	682.201223	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+NH4"	18.033823
"788388"	1014.284923	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+NH4"	18.033823
"1683623"	350.117523	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+NH4"	18.033823
"330806"	341.6042495	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+H+NH4"	19.041099
"723227"	507.6460995	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+H+NH4"	19.041099
"1480327"	175.5623995	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H+NH4"	19.041099
"396818"	687.156618	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+Na"	22.989218
"760001"	1019.240318	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+Na"	22.989218
"1604820"	355.072918	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Na"	22.989218
"320325"	344.081947	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+H+Na"	23.996494
"710559"	510.123797	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+H+Na"	23.996494
"1461320"	178.040097	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H+Na"	23.996494
"1052792"	119.029156666667	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2H+Na"	25.00377
"1257181"	365.117186	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+CH3OH+H"	33.033486
"378733"	703.130558	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+K"	38.963158
"739970"	1035.214258	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+K"	38.963158
"1542025"	371.046858	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+K"	38.963158
"300658"	352.068917	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+H+K"	39.970434
"694903"	518.110767	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+H+K"	39.970434
"1447269"	186.027067	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H+K"	39.970434
"238787"	706.201226	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+ACN+H"	42.033826
"1211130"	374.117526	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+ACN+H"	42.033826
"1196473"	187.562401	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+ACN+2H"	43.041102
"189344"	709.13856	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+2Na-H"	44.97116
"629750"	1041.22226	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+2Na-H"	44.97116
"1132775"	377.05486	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2Na-H"	44.97116
"174120"	355.072918	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+2Na"	45.978436
"615982"	521.114768	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+2Na"	45.978436
"1117069"	189.031068	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2Na"	45.978436
"1399496"	126.356470666667	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H+2Na"	46.985712
"1431131"	379.096446	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H+HCOOH"	47.012746
"220453"	360.10594	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+3H2O+2H"	56.04448
"1509246"	393.14849	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+IsoProp+H"	61.06479
"408933"	363.059888	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+Na+K"	61.952376
"770454"	529.101738	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+Na+K"	61.952376
"1667005"	197.018038	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Na+K"	61.952376
"261185"	728.183168	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+ACN+Na"	64.015768
"1234257"	396.099468	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+ACN+Na"	64.015768
"1723508"	396.122993	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+NH4+HCOOH"	64.039293
"1187768"	133.683784666667	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+3Na"	68.967654
"1665400"	401.078388	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Na+HCOOH"	68.994688
"170722"	741.08644	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+2K-H"	76.91904
"612389"	1073.17014	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+2K-H"	76.91904
"1094065"	409.00274	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2K-H"	76.91904
"155011"	371.046858	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"2M+2K"	77.926316
"596394"	537.088708	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"3M+2K"	77.926316
"1080422"	205.005008	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2K"	77.926316
"1114240"	411.017292	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2K+H"	78.933592
"1350015"	411.104907	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+DMSO+H"	79.021207
"1017454"	415.144076	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2ACN+H"	83.060376
"1535578"	416.137708	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+IsoProp+Na+H"	84.054008
"996561"	208.075676	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+2ACN+2H"	84.067652
"1593253"	417.052328	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+K+HCOOH"	84.968628
"1420008"	447.083838	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+H+CF3COOH"	115.000138
"1153576"	228.588951	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+3ACN+2H"	125.094202
"1698389"	464.110385	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+NH4+CF3COOH"	132.026685
"1635498"	469.06578	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+Na+CF3COOH"	136.98208
"1572240"	485.03972	"C19545"	"Vat Yellow 4;CI Vat Yellow 4;Dibenzobdefchrysene-714-dione"	"C24H12O2"	"332.0837"	"M+K+CF3COOH"	152.95602
"808082"	64.0125	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M"	0
"981616"	44.99411	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-H2O-H"	-19.01839
"74233"	41.667724	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M-3H"	-3.021828
"512702"	63.005224	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M-3H"	-3.021828
"889409"	20.330224	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-3H"	-3.021828
"11268"	63.005224	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M-2H"	-2.014552
"450829"	95.011474	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M-2H"	-2.014552
"825350"	30.998974	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-2H"	-2.014552
"88623"	127.017724	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M-H"	-1.007276
"531462"	191.030224	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M-H"	-1.007276
"905984"	63.005224	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-H"	-1.007276
"54891"	144.044271	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M-2H+NH4"	16.019271
"499917"	208.056771	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M-2H+NH4"	16.019271
"877717"	80.031771	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-2H+NH4"	16.019271
"44403"	148.999666	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M-2H+Na"	20.974666
"478617"	213.012166	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M-2H+Na"	20.974666
"856421"	84.987166	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-2H+Na"	20.974666
"1621582"	84.987166	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Na-2H"	20.974666
"97017"	80.993563	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M-H+Cl"	33.962126
"537675"	112.999813	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M-H+Cl"	33.962126
"932281"	48.987313	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-H+Cl"	33.962126
"275215"	162.994402	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+Cl"	34.969402
"673472"	227.006902	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+Cl"	34.969402
"1280041"	98.981902	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Cl"	34.969402
"23690"	164.973606	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M-2H+K"	36.948606
"462158"	228.986106	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M-2H+K"	36.948606
"838866"	100.961106	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-2H+K"	36.948606
"1566728"	100.961106	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+K-2H"	36.948606
"950238"	109.010694	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-H+HCOOH"	44.998194
"371735"	173.023201	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+HCOOH-H"	44.998201
"359266"	187.038851	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+Hac-H"	59.013851
"1507375"	123.026351	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Hac-H"	59.013851
"972366"	130.992651	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-H+NaCOOH"	66.980151
"123458"	98.981902	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+2Cl"	69.938804
"552805"	130.988152	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+2Cl"	69.938804
"1034730"	66.975652	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2Cl"	69.938804
"1255400"	142.931385	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Br"	78.918885
"1314566"	144.987372	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Cl+HCOOH"	80.974872
"1330612"	166.969329	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Cl+NaCOOH"	102.956829
"916568"	176.998086	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M-H+CF3COOH"	112.985586
"1290721"	212.974764	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Cl+CF3COOH"	148.962264
"1371435"	28.999824	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H-2H2O"	-35.012676
"1386745"	47.0098	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H-H2O"	-17.0027
"285338"	129.032276	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+H"	1.007276
"681042"	193.044776	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+H"	1.007276
"1357395"	65.019776	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H"	1.007276
"133928"	65.019776	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+2H"	2.014552
"572030"	97.026026	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+2H"	2.014552
"1039735"	33.013526	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2H"	2.014552
"216024"	43.682276	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+3H"	3.021828
"646226"	65.019776	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+3H"	3.021828
"1164228"	22.344776	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+3H"	3.021828
"426039"	146.058823	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+NH4"	18.033823
"787761"	210.071323	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+NH4"	18.033823
"1683365"	82.046323	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+NH4"	18.033823
"332373"	73.5330495	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+H+NH4"	19.041099
"726617"	105.5392995	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+H+NH4"	19.041099
"1478007"	41.5267995	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H+NH4"	19.041099
"394739"	151.014218	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+Na"	22.989218
"755130"	215.026718	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+Na"	22.989218
"1602856"	87.001718	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Na"	22.989218
"314600"	76.010747	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+H+Na"	23.996494
"707624"	108.016997	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+H+Na"	23.996494
"1462295"	44.004497	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H+Na"	23.996494
"1053028"	29.67209	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2H+Na"	25.00377
"1260513"	97.045986	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+CH3OH+H"	33.033486
"377329"	166.988158	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+K"	38.963158
"739705"	231.000658	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+K"	38.963158
"1539902"	102.975658	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+K"	38.963158
"298747"	83.997717	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+H+K"	39.970434
"693920"	116.003967	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+H+K"	39.970434
"1445753"	51.991467	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H+K"	39.970434
"237069"	170.058826	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+ACN+H"	42.033826
"1210511"	106.046326	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+ACN+H"	42.033826
"1195855"	53.526801	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+ACN+2H"	43.041102
"188664"	172.99616	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+2Na-H"	44.97116
"629502"	237.00866	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+2Na-H"	44.97116
"1134103"	108.98366	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2Na-H"	44.97116
"174234"	87.001718	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+2Na"	45.978436
"613226"	119.007968	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+2Na"	45.978436
"1116243"	54.995468	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2Na"	45.978436
"1399121"	36.999404	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H+2Na"	46.985712
"1431113"	111.025246	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H+HCOOH"	47.012746
"221295"	92.03474	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+3H2O+2H"	56.04448
"1510815"	125.07729	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+IsoProp+H"	61.06479
"410501"	94.988688	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+Na+K"	61.952376
"774796"	126.994938	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+Na+K"	61.952376
"1674409"	62.982438	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Na+K"	61.952376
"260928"	192.040768	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+ACN+Na"	64.015768
"1232544"	128.028268	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+ACN+Na"	64.015768
"1719245"	128.051793	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+NH4+HCOOH"	64.039293
"1186785"	44.326718	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+3Na"	68.967654
"1662145"	133.007188	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Na+HCOOH"	68.994688
"165728"	204.94404	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+2K-H"	76.91904
"606382"	268.95654	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+2K-H"	76.91904
"1093082"	140.93154	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2K-H"	76.91904
"153179"	102.975658	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"2M+2K"	77.926316
"584720"	134.981908	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"3M+2K"	77.926316
"1075066"	70.969408	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2K"	77.926316
"1113742"	142.946092	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2K+H"	78.933592
"1344660"	143.033707	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+DMSO+H"	79.021207
"1014283"	147.072876	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2ACN+H"	83.060376
"1534597"	148.066508	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+IsoProp+Na+H"	84.054008
"996669"	74.040076	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+2ACN+2H"	84.067652
"1593365"	148.981128	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+K+HCOOH"	84.968628
"1419024"	179.012638	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+H+CF3COOH"	115.000138
"1153687"	94.553351	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+3ACN+2H"	125.094202
"1698861"	196.039185	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+NH4+CF3COOH"	132.026685
"1634516"	200.99458	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+Na+CF3COOH"	136.98208
"1584387"	216.96852	"C19547"	"Vinylidene fluoride;11-Difluoroethene"	"C2H2F2"	"64.0125"	"M+K+CF3COOH"	152.95602
"804912"	111.0684	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M"	0
"981726"	92.05001	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-H2O-H"	-19.01839
"74343"	73.038324	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M-3H"	-3.021828
"513907"	110.061124	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M-3H"	-3.021828
"888429"	36.015524	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-3H"	-3.021828
"11013"	110.061124	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M-2H"	-2.014552
"446566"	165.595324	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M-2H"	-2.014552
"824366"	54.526924	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-2H"	-2.014552
"88733"	221.129524	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M-H"	-1.007276
"526106"	332.197924	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M-H"	-1.007276
"902816"	110.061124	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-H"	-1.007276
"55002"	238.156071	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M-2H+NH4"	16.019271
"497478"	349.224471	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M-2H+NH4"	16.019271
"872360"	127.087671	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-2H+NH4"	16.019271
"40262"	243.111466	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M-2H+Na"	20.974666
"479822"	354.179866	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M-2H+Na"	20.974666
"856533"	132.043066	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-2H+Na"	20.974666
"1620602"	132.043066	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Na-2H"	20.974666
"96035"	128.049463	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M-H+Cl"	33.962126
"536692"	183.583663	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M-H+Cl"	33.962126
"931299"	72.515263	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-H+Cl"	33.962126
"276418"	257.106202	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+Cl"	34.969402
"662278"	368.174602	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+Cl"	34.969402
"1275774"	146.037802	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Cl"	34.969402
"22704"	259.085406	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M-2H+K"	36.948606
"460079"	370.153806	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M-2H+K"	36.948606
"836789"	148.017006	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-2H+K"	36.948606
"1561369"	148.017006	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+K-2H"	36.948606
"947066"	156.066594	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-H+HCOOH"	44.998194
"368565"	267.135001	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+HCOOH-H"	44.998201
"350261"	281.150651	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+Hac-H"	59.013851
"1503470"	170.082251	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Hac-H"	59.013851
"972473"	178.048551	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-H+NaCOOH"	66.980151
"122106"	146.037802	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+2Cl"	69.938804
"557291"	201.572002	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+2Cl"	69.938804
"1033382"	90.503602	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2Cl"	69.938804
"1250044"	189.987285	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Br"	78.918885
"1316864"	192.043272	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Cl+HCOOH"	80.974872
"1329993"	214.025229	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Cl+NaCOOH"	102.956829
"918864"	224.053986	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M-H+CF3COOH"	112.985586
"1291196"	260.030664	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Cl+CF3COOH"	148.962264
"1368262"	76.055724	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H-2H2O"	-35.012676
"1384301"	94.0657	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H-H2O"	-17.0027
"284355"	223.144076	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+H"	1.007276
"681152"	334.212476	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+H"	1.007276
"1357505"	112.075676	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H"	1.007276
"134402"	112.075676	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+2H"	2.014552
"568860"	167.609876	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+2H"	2.014552
"1039845"	56.541476	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2H"	2.014552
"215769"	75.052876	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+3H"	3.021828
"647308"	112.075676	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+3H"	3.021828
"1164702"	38.030076	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+3H"	3.021828
"426517"	240.170623	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+NH4"	18.033823
"788968"	351.239023	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+NH4"	18.033823
"1685665"	129.102223	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+NH4"	18.033823
"332844"	120.5889495	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+H+NH4"	19.041099
"725268"	176.1231495	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+H+NH4"	19.041099
"1478482"	65.0547495	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H+NH4"	19.041099
"398133"	245.126018	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+Na"	22.989218
"755846"	356.194418	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+Na"	22.989218
"1603210"	134.057618	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Na"	22.989218
"315189"	123.066647	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+H+Na"	23.996494
"707853"	178.600847	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+H+Na"	23.996494
"1465698"	67.532447	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H+Na"	23.996494
"1056754"	45.35739	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2H+Na"	25.00377
"1257369"	144.101886	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+CH3OH+H"	33.033486
"377405"	261.099958	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+K"	38.963158
"738688"	372.168358	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+K"	38.963158
"1541149"	150.031558	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+K"	38.963158
"298848"	131.053617	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+H+K"	39.970434
"692326"	186.587817	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+H+K"	39.970434
"1447120"	75.519417	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H+K"	39.970434
"237178"	264.170626	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+ACN+H"	42.033826
"1210620"	153.102226	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+ACN+H"	42.033826
"1195961"	77.054751	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+ACN+2H"	43.041102
"188793"	267.10796	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+2Na-H"	44.97116
"629612"	378.17636	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+2Na-H"	44.97116
"1134460"	156.03956	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2Na-H"	44.97116
"174223"	134.057618	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+2Na"	45.978436
"614273"	189.591818	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+2Na"	45.978436
"1117164"	78.523418	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2Na"	45.978436
"1400080"	52.684704	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H+2Na"	46.985712
"1431346"	158.081146	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H+HCOOH"	47.012746
"221408"	139.09064	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+3H2O+2H"	56.04448
"1511657"	172.13319	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+IsoProp+H"	61.06479
"411706"	142.044588	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+Na+K"	61.952376
"773084"	197.578788	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+Na+K"	61.952376
"1675612"	86.510388	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Na+K"	61.952376
"262863"	286.152568	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+ACN+Na"	64.015768
"1238491"	175.084168	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+ACN+Na"	64.015768
"1725916"	175.107693	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+NH4+HCOOH"	64.039293
"1189814"	60.012018	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+3Na"	68.967654
"1662865"	180.063088	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Na+HCOOH"	68.994688
"170213"	299.05584	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+2K-H"	76.91904
"609773"	410.12424	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+2K-H"	76.91904
"1095380"	187.98744	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2K-H"	76.91904
"151103"	150.031558	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"2M+2K"	77.926316
"589571"	205.565758	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"3M+2K"	77.926316
"1076268"	94.497358	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2K"	77.926316
"1114339"	190.001992	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2K+H"	78.933592
"1344771"	190.089607	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+DMSO+H"	79.021207
"1016580"	194.128776	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2ACN+H"	83.060376
"1539528"	195.122408	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+IsoProp+Na+H"	84.054008
"1001154"	97.568026	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+2ACN+2H"	84.067652
"1591289"	196.037028	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+K+HCOOH"	84.968628
"1418040"	226.068538	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+H+CF3COOH"	115.000138
"1153797"	118.081301	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+3ACN+2H"	125.094202
"1697110"	243.095085	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+NH4+CF3COOH"	132.026685
"1636813"	248.05048	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+Na+CF3COOH"	136.98208
"1575749"	264.02442	"C19548"	"N-Vinyl-2-pyrrolidone;1-Ethenyl-2-pyrrolidinone"	"C6H9NO"	"111.0684"	"M+K+CF3COOH"	152.95602
"805022"	118.0783	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M"	0
"978556"	99.05991	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-H2O-H"	-19.01839
"67892"	77.7115906666667	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M-3H"	-3.021828
"515108"	117.071024	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M-3H"	-3.021828
"890724"	38.3521573333333	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-3H"	-3.021828
"12580"	117.071024	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M-2H"	-2.014552
"452507"	176.110174	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M-2H"	-2.014552
"828849"	58.031874	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-2H"	-2.014552
"89936"	235.149324	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M-H"	-1.007276
"525122"	353.227624	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M-H"	-1.007276
"906206"	117.071024	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-H"	-1.007276
"51831"	252.175871	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M-2H+NH4"	16.019271
"492484"	370.254171	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M-2H+NH4"	16.019271
"870282"	134.097571	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-2H+NH4"	16.019271
"32592"	257.131266	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M-2H+Na"	20.974666
"475558"	375.209566	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M-2H+Na"	20.974666
"850083"	139.052966	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-2H+Na"	20.974666
"1618968"	139.052966	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Na-2H"	20.974666
"99425"	135.059363	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M-H+Cl"	33.962126
"540082"	194.098513	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M-H+Cl"	33.962126
"932502"	76.020213	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-H+Cl"	33.962126
"277621"	271.126002	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+Cl"	34.969402
"662630"	389.204302	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+Cl"	34.969402
"1275884"	153.047702	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Cl"	34.969402
"23907"	273.105206	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M-2H+K"	36.948606
"461282"	391.183506	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M-2H+K"	36.948606
"840179"	155.026906	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-2H+K"	36.948606
"1562572"	155.026906	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+K-2H"	36.948606
"950457"	163.076494	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-H+HCOOH"	44.998194
"369767"	281.154801	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+HCOOH-H"	44.998201
"351096"	295.170451	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+Hac-H"	59.013851
"1504671"	177.092151	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Hac-H"	59.013851
"971488"	185.058451	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-H+NaCOOH"	66.980151
"121119"	153.047702	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+2Cl"	69.938804
"556305"	212.086852	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+2Cl"	69.938804
"1034587"	94.008552	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2Cl"	69.938804
"1251247"	196.997185	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Br"	78.918885
"1313693"	199.053172	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Cl+HCOOH"	80.974872
"1327914"	221.035129	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Cl+NaCOOH"	102.956829
"916785"	231.063886	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M-H+CF3COOH"	112.985586
"1291670"	267.040564	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Cl+CF3COOH"	148.962264
"1369466"	83.065624	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H-2H2O"	-35.012676
"1385504"	101.0756	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H-H2O"	-17.0027
"287744"	237.163876	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+H"	1.007276
"682355"	355.242176	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+H"	1.007276
"1359802"	119.085576	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H"	1.007276
"133782"	119.085576	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+2H"	2.014552
"573343"	178.124726	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+2H"	2.014552
"1041047"	60.046426	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2H"	2.014552
"215513"	79.7261426666667	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+3H"	3.021828
"648511"	119.085576	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+3H"	3.021828
"1164203"	40.3667093333333	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+3H"	3.021828
"426627"	254.190423	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+NH4"	18.033823
"787985"	372.268723	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+NH4"	18.033823
"1687234"	136.112123	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+NH4"	18.033823
"333324"	127.5988495	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+H+NH4"	19.041099
"726837"	186.6379995	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+H+NH4"	19.041099
"1479564"	68.5596995	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H+NH4"	19.041099
"403711"	259.145818	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+Na"	22.989218
"759235"	377.224118	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+Na"	22.989218
"1603813"	141.067518	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Na"	22.989218
"315308"	130.076547	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+H+Na"	23.996494
"707240"	189.115697	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+H+Na"	23.996494
"1463622"	71.037397	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H+Na"	23.996494
"1056500"	47.6940233333333	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2H+Na"	25.00377
"1257157"	151.111786	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+CH3OH+H"	33.033486
"378086"	275.119758	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+K"	38.963158
"740299"	393.198058	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+K"	38.963158
"1541985"	157.041458	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+K"	38.963158
"299527"	138.063517	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+H+K"	39.970434
"693407"	197.102667	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+H+K"	39.970434
"1446621"	79.024367	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H+K"	39.970434
"236075"	278.190426	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+ACN+H"	42.033826
"1210967"	160.112126	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+ACN+H"	42.033826
"1195707"	80.559701	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+ACN+2H"	43.041102
"190769"	281.12776	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+2Na-H"	44.97116
"628870"	399.20606	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+2Na-H"	44.97116
"1133477"	163.04946	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2Na-H"	44.97116
"173726"	141.067518	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+2Na"	45.978436
"613532"	200.106668	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+2Na"	45.978436
"1117153"	82.028368	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2Na"	45.978436
"1401160"	55.0213373333333	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H+2Na"	46.985712
"1431334"	165.091046	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H+HCOOH"	47.012746
"221521"	146.10054	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+3H2O+2H"	56.04448
"1510308"	179.14309	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+IsoProp+H"	61.06479
"409996"	149.054488	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+Na+K"	61.952376
"773922"	208.093638	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+Na+K"	61.952376
"1675722"	90.015338	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Na+K"	61.952376
"261151"	300.172368	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+ACN+Na"	64.015768
"1237872"	182.094068	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+ACN+Na"	64.015768
"1723839"	182.117593	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+NH4+HCOOH"	64.039293
"1189196"	62.3486513333333	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+3Na"	68.967654
"1663459"	187.072988	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Na+HCOOH"	68.994688
"170323"	313.07564	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+2K-H"	76.91904
"607698"	431.15394	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+2K-H"	76.91904
"1092211"	194.99734	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2K-H"	76.91904
"151213"	157.041458	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"2M+2K"	77.926316
"590774"	216.080608	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"3M+2K"	77.926316
"1078565"	98.002308	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2K"	77.926316
"1113841"	197.011892	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2K+H"	78.933592
"1347068"	197.099507	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+DMSO+H"	79.021207
"1019728"	201.138676	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2ACN+H"	83.060376
"1538097"	202.132308	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+IsoProp+Na+H"	84.054008
"1003454"	101.072976	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+2ACN+2H"	84.067652
"1590303"	203.046928	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+K+HCOOH"	84.968628
"1418149"	233.078438	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+H+CF3COOH"	115.000138
"1151717"	121.586251	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+3ACN+2H"	125.094202
"1697262"	250.104985	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+NH4+CF3COOH"	132.026685
"1640203"	255.06038	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+Na+CF3COOH"	136.98208
"1575859"	271.03432	"C19549"	"Vinyl toluene"	"C9H10"	"118.0783"	"M+K+CF3COOH"	152.95602
"805132"	115.9243	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M"	0
"978666"	96.90591	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-H2O-H"	-19.01839
"69095"	76.2755906666667	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M-3H"	-3.021828
"516311"	114.917024	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M-3H"	-3.021828
"893019"	37.6341573333333	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-3H"	-3.021828
"13782"	114.917024	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M-2H"	-2.014552
"453343"	172.879174	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M-2H"	-2.014552
"826773"	56.954874	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-2H"	-2.014552
"90046"	230.841324	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M-H"	-1.007276
"528509"	346.765624	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M-H"	-1.007276
"900844"	114.917024	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-H"	-1.007276
"51942"	247.867871	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M-2H+NH4"	16.019271
"489436"	363.792171	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M-2H+NH4"	16.019271
"872579"	131.943571	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-2H+NH4"	16.019271
"34042"	252.823266	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M-2H+Na"	20.974666
"478947"	368.747566	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M-2H+Na"	20.974666
"853472"	136.898966	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-2H+Na"	20.974666
"1623007"	136.898966	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Na-2H"	20.974666
"100628"	132.905363	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M-H+Cl"	33.962126
"542378"	190.867513	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M-H+Cl"	33.962126
"934798"	74.943213	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-H+Cl"	33.962126
"277731"	266.818002	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+Cl"	34.969402
"663591"	382.742302	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+Cl"	34.969402
"1282558"	150.893702	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Cl"	34.969402
"22926"	268.797206	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M-2H+K"	36.948606
"462487"	384.721506	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M-2H+K"	36.948606
"840289"	152.872906	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-2H+K"	36.948606
"1562683"	152.872906	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+K-2H"	36.948606
"952753"	160.922494	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-H+HCOOH"	44.998194
"369874"	276.846801	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+HCOOH-H"	44.998201
"351206"	290.862451	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+Hac-H"	59.013851
"1496396"	174.938151	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Hac-H"	59.013851
"963573"	182.904451	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-H+NaCOOH"	66.980151
"115761"	150.893702	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+2Cl"	69.938804
"556415"	208.855852	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+2Cl"	69.938804
"1030684"	92.931552	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2Cl"	69.938804
"1252451"	194.843185	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Br"	78.918885
"1312710"	196.899172	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Cl+HCOOH"	80.974872
"1323649"	218.881129	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Cl+NaCOOH"	102.956829
"915802"	228.909886	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M-H+CF3COOH"	112.985586
"1294692"	264.886564	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Cl+CF3COOH"	148.962264
"1371395"	80.911624	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H-2H2O"	-35.012676
"1388161"	98.9216	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H-H2O"	-17.0027
"287854"	232.855876	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+H"	1.007276
"682465"	348.780176	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+H"	1.007276
"1362828"	116.931576	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H"	1.007276
"136078"	116.931576	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+2H"	2.014552
"575639"	174.893726	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+2H"	2.014552
"1040064"	58.969426	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2H"	2.014552
"214530"	78.2901426666667	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+3H"	3.021828
"646434"	116.931576	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+3H"	3.021828
"1164558"	39.6487093333333	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+3H"	3.021828
"430016"	249.882423	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+NH4"	18.033823
"789919"	365.806723	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+NH4"	18.033823
"1685158"	133.958123	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+NH4"	18.033823
"331612"	125.4448495	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+H+NH4"	19.041099
"724396"	183.4069995	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+H+NH4"	19.041099
"1477854"	67.4826995	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H+NH4"	19.041099
"396530"	254.837818	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+Na"	22.989218
"759345"	370.762118	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+Na"	22.989218
"1603921"	138.913518	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Na"	22.989218
"315418"	127.922547	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+H+Na"	23.996494
"707348"	185.884697	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+H+Na"	23.996494
"1465918"	69.960397	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H+Na"	23.996494
"1056610"	46.9760233333333	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2H+Na"	25.00377
"1258166"	148.957786	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+CH3OH+H"	33.033486
"378563"	270.811758	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+K"	38.963158
"740410"	386.736058	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+K"	38.963158
"1540638"	154.887458	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+K"	38.963158
"302189"	135.909517	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+H+K"	39.970434
"693154"	193.871667	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+H+K"	39.970434
"1448071"	77.947367	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H+K"	39.970434
"237399"	273.882426	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+ACN+H"	42.033826
"1210471"	157.958126	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+ACN+H"	42.033826
"1196544"	79.482701	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+ACN+2H"	43.041102
"190027"	276.81976	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+2Na-H"	44.97116
"630559"	392.74406	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+2Na-H"	44.97116
"1135773"	160.89546	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2Na-H"	44.97116
"174686"	138.913518	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+2Na"	45.978436
"614978"	196.875668	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+2Na"	45.978436
"1116660"	80.951368	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2Na"	45.978436
"1401272"	54.3033373333333	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H+2Na"	46.985712
"1431929"	162.937046	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H+HCOOH"	47.012746
"221142"	143.94654	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+3H2O+2H"	56.04448
"1510782"	176.98909	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+IsoProp+H"	61.06479
"410105"	146.900488	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+Na+K"	61.952376
"774032"	204.862638	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+Na+K"	61.952376
"1675836"	88.938338	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Na+K"	61.952376
"261261"	295.864368	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+ACN+Na"	64.015768
"1233970"	179.940068	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+ACN+Na"	64.015768
"1724677"	179.963593	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+NH4+HCOOH"	64.039293
"1188212"	61.6306513333333	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+3Na"	68.967654
"1663936"	184.918988	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Na+HCOOH"	68.994688
"168247"	308.76764	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+2K-H"	76.91904
"609994"	424.69194	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+2K-H"	76.91904
"1093414"	192.84334	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2K-H"	76.91904
"152417"	154.887458	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"2M+2K"	77.926316
"591976"	212.849608	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"3M+2K"	77.926316
"1080860"	96.925308	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2K"	77.926316
"1111881"	194.857892	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2K+H"	78.933592
"1347175"	194.945507	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+DMSO+H"	79.021207
"1020085"	198.984676	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2ACN+H"	83.060376
"1539304"	199.978308	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+IsoProp+Na+H"	84.054008
"1003563"	99.995976	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+2ACN+2H"	84.067652
"1596973"	200.892928	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+K+HCOOH"	84.968628
"1418259"	230.924438	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+H+CF3COOH"	115.000138
"1152920"	120.509251	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+3ACN+2H"	125.094202
"1698102"	247.950985	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+NH4+CF3COOH"	132.026685
"1640313"	252.90638	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+Na+CF3COOH"	136.98208
"1575969"	268.88032	"C19550"	"Wollastonite"	"CaSiO3"	"115.9243"	"M+K+CF3COOH"	152.95602
"805242"	106.0783	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M"	0
"982053"	87.05991	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-H2O-H"	-19.01839
"69204"	69.7115906666667	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M-3H"	-3.021828
"517514"	105.071024	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M-3H"	-3.021828
"893129"	34.3521573333333	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-3H"	-3.021828
"13892"	105.071024	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M-2H"	-2.014552
"451266"	158.110174	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M-2H"	-2.014552
"830169"	52.031874	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-2H"	-2.014552
"90158"	211.149324	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M-H"	-1.007276
"532871"	317.227624	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M-H"	-1.007276
"910432"	105.071024	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-H"	-1.007276
"58611"	228.175871	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M-2H+NH4"	16.019271
"492705"	334.254171	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M-2H+NH4"	16.019271
"877063"	122.097571	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-2H+NH4"	16.019271
"34395"	233.131266	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M-2H+Na"	20.974666
"476870"	339.209566	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M-2H+Na"	20.974666
"853582"	127.052966	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-2H+Na"	20.974666
"1623117"	127.052966	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Na-2H"	20.974666
"96364"	123.059363	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M-H+Cl"	33.962126
"543581"	176.098513	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M-H+Cl"	33.962126
"932721"	70.020213	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-H+Cl"	33.962126
"275654"	247.126002	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+Cl"	34.969402
"665887"	353.204302	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+Cl"	34.969402
"1281574"	141.047702	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Cl"	34.969402
"23036"	249.105206	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M-2H+K"	36.948606
"462597"	355.183506	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M-2H+K"	36.948606
"838212"	143.026906	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-2H+K"	36.948606
"1562794"	143.026906	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+K-2H"	36.948606
"951770"	151.076494	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-H+HCOOH"	44.998194
"371078"	257.154801	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+HCOOH-H"	44.998201
"352409"	271.170451	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+Hac-H"	59.013851
"1497598"	165.092151	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Hac-H"	59.013851
"964047"	173.058451	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-H+NaCOOH"	66.980151
"116964"	141.047702	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+2Cl"	69.938804
"558711"	194.086852	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+2Cl"	69.938804
"1029701"	88.008552	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2Cl"	69.938804
"1252561"	184.997185	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Br"	78.918885
"1311727"	187.053172	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Cl+HCOOH"	80.974872
"1324123"	209.035129	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Cl+NaCOOH"	102.956829
"915911"	219.063886	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M-H+CF3COOH"	112.985586
"1292980"	255.040564	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Cl+CF3COOH"	148.962264
"1371505"	71.065624	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H-2H2O"	-35.012676
"1388272"	89.0756	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H-H2O"	-17.0027
"285773"	213.163876	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+H"	1.007276
"682575"	319.242176	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+H"	1.007276
"1358928"	107.085576	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H"	1.007276
"134365"	107.085576	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+2H"	2.014552
"570281"	160.124726	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+2H"	2.014552
"1038713"	54.046426	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2H"	2.014552
"212453"	71.7261426666667	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+3H"	3.021828
"646544"	107.085576	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+3H"	3.021828
"1163936"	36.3667093333333	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+3H"	3.021828
"426846"	230.190423	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+NH4"	18.033823
"789664"	336.268723	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+NH4"	18.033823
"1684539"	124.112123	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+NH4"	18.033823
"332816"	115.5988495	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+H+NH4"	19.041099
"723531"	168.6379995	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+H+NH4"	19.041099
"1479788"	62.5596995	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H+NH4"	19.041099
"395058"	235.145818	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+Na"	22.989218
"757633"	341.224118	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+Na"	22.989218
"1602850"	129.067518	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Na"	22.989218
"314590"	118.076547	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+H+Na"	23.996494
"707246"	171.115697	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+H+Na"	23.996494
"1464935"	65.037397	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H+Na"	23.996494
"1055627"	43.6940233333333	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2H+Na"	25.00377
"1258765"	139.111786	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+CH3OH+H"	33.033486
"377374"	251.119758	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+K"	38.963158
"739548"	357.198058	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+K"	38.963158
"1541238"	145.041458	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+K"	38.963158
"300476"	126.063517	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+H+K"	39.970434
"692294"	179.102667	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+H+K"	39.970434
"1446357"	73.024367	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H+K"	39.970434
"235849"	254.190426	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+ACN+H"	42.033826
"1210135"	148.112126	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+ACN+H"	42.033826
"1196290"	74.559701	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+ACN+2H"	43.041102
"189650"	257.12776	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+2Na-H"	44.97116
"629819"	363.20606	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+2Na-H"	44.97116
"1135883"	151.04946	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2Na-H"	44.97116
"173825"	129.067518	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+2Na"	45.978436
"614236"	182.106668	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+2Na"	45.978436
"1117009"	76.028368	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2Na"	45.978436
"1399439"	51.0213373333333	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H+2Na"	46.985712
"1430950"	153.091046	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H+HCOOH"	47.012746
"221371"	134.10054	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+3H2O+2H"	56.04448
"1509802"	167.14309	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+IsoProp+H"	61.06479
"409161"	137.054488	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+Na+K"	61.952376
"775235"	190.093638	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+Na+K"	61.952376
"1673757"	84.015338	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Na+K"	61.952376
"259183"	276.172368	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+ACN+Na"	64.015768
"1236266"	170.094068	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+ACN+Na"	64.015768
"1725151"	170.117593	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+NH4+HCOOH"	64.039293
"1191966"	58.3486513333333	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+3Na"	68.967654
"1665522"	175.072988	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Na+HCOOH"	68.994688
"170179"	289.07564	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+2K-H"	76.91904
"609010"	395.15394	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+2K-H"	76.91904
"1094617"	182.99734	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2K-H"	76.91904
"156416"	145.041458	"C19551"	"Xylene"	"C8H10"	"106.0783"	"2M+2K"	77.926316
"594153"	198.080608	"C19551"	"Xylene"	"C8H10"	"106.0783"	"3M+2K"	77.926316
"1080970"	92.002308	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2K"	77.926316
"1114057"	185.011892	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2K+H"	78.933592
"1350691"	185.099507	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+DMSO+H"	79.021207
"1019101"	189.138676	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2ACN+H"	83.060376
"1539173"	190.132308	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+IsoProp+Na+H"	84.054008
"1003311"	95.072976	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+2ACN+2H"	84.067652
"1601457"	191.046928	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+K+HCOOH"	84.968628
"1423836"	221.078438	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+H+CF3COOH"	115.000138
"1157405"	115.586251	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+3ACN+2H"	125.094202
"1702583"	238.104985	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+NH4+CF3COOH"	132.026685
"1637142"	243.06038	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+Na+CF3COOH"	136.98208
"1576079"	259.03432	"C19551"	"Xylene"	"C8H10"	"106.0783"	"M+K+CF3COOH"	152.95602
"815193"	247.1109	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M"	0
"984352"	228.09251	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-H2O-H"	-19.01839
"69314"	163.733324	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M-3H"	-3.021828
"518406"	246.103624	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M-3H"	-3.021828
"895618"	81.363024	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-3H"	-3.021828
"14002"	246.103624	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M-2H"	-2.014552
"454656"	369.659074	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M-2H"	-2.014552
"832543"	122.548174	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-2H"	-2.014552
"90999"	493.214524	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M-H"	-1.007276
"533995"	740.325424	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M-H"	-1.007276
"910179"	246.103624	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-H"	-1.007276
"61273"	510.241071	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M-2H+NH4"	16.019271
"501198"	757.351971	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M-2H+NH4"	16.019271
"873896"	263.130171	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-2H+NH4"	16.019271
"38516"	515.196466	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M-2H+Na"	20.974666
"481353"	762.307366	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M-2H+Na"	20.974666
"855879"	268.085566	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-2H+Na"	20.974666
"1625414"	268.085566	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Na-2H"	20.974666
"98662"	264.091963	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M-H+Cl"	33.962126
"544788"	387.647413	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M-H+Cl"	33.962126
"938302"	140.536513	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-H+Cl"	33.962126
"275765"	529.191202	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+Cl"	34.969402
"667092"	776.302102	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+Cl"	34.969402
"1280591"	282.080302	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Cl"	34.969402
"23147"	531.170406	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M-2H+K"	36.948606
"463801"	778.281306	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M-2H+K"	36.948606
"842697"	284.059506	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-2H+K"	36.948606
"1563997"	284.059506	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+K-2H"	36.948606
"956256"	292.109094	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-H+HCOOH"	44.998194
"370097"	539.220001	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+HCOOH-H"	44.998201
"352883"	553.235651	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+Hac-H"	59.013851
"1501719"	306.124751	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Hac-H"	59.013851
"968170"	314.091051	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-H+NaCOOH"	66.980151
"122541"	282.080302	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+2Cl"	69.938804
"559916"	405.635752	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+2Cl"	69.938804
"1033092"	158.524852	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2Cl"	69.938804
"1254130"	326.029785	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Br"	78.918885
"1312931"	328.085772	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Cl+HCOOH"	80.974872
"1324962"	350.067729	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Cl+NaCOOH"	102.956829
"914929"	360.096486	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M-H+CF3COOH"	112.985586
"1292726"	396.073164	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Cl+CF3COOH"	148.962264
"1370888"	212.098224	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H-2H2O"	-35.012676
"1385834"	230.1082	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H-H2O"	-17.0027
"290264"	495.229076	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+H"	1.007276
"681592"	742.339976	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+H"	1.007276
"1357945"	248.118176	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H"	1.007276
"129739"	248.118176	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+2H"	2.014552
"569299"	371.673626	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+2H"	2.014552
"1041377"	124.562726	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2H"	2.014552
"212563"	165.747876	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+3H"	3.021828
"649934"	248.118176	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+3H"	3.021828
"1165143"	83.377576	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+3H"	3.021828
"429143"	512.255623	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+NH4"	18.033823
"792328"	759.366523	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+NH4"	18.033823
"1683315"	265.144723	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+NH4"	18.033823
"330497"	256.6314495	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+H+NH4"	19.041099
"724983"	380.1868995	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+H+NH4"	19.041099
"1478805"	133.0759995	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H+NH4"	19.041099
"394201"	517.211018	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+Na"	22.989218
"754661"	764.321918	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+Na"	22.989218
"1602745"	270.100118	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Na"	22.989218
"314704"	259.109147	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+H+Na"	23.996494
"707143"	382.664597	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+H+Na"	23.996494
"1463954"	135.553697	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H+Na"	23.996494
"1054036"	90.70489	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2H+Na"	25.00377
"1258145"	280.144386	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+CH3OH+H"	33.033486
"379638"	533.184958	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+K"	38.963158
"740267"	780.295858	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+K"	38.963158
"1540862"	286.074058	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+K"	38.963158
"299249"	267.096117	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+H+K"	39.970434
"692155"	390.651567	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+H+K"	39.970434
"1447196"	143.540667	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H+K"	39.970434
"236399"	536.255626	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+ACN+H"	42.033826
"1210567"	289.144726	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+ACN+H"	42.033826
"1195668"	145.076001	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+ACN+2H"	43.041102
"189639"	539.19296	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+2Na-H"	44.97116
"629930"	786.30386	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+2Na-H"	44.97116
"1133073"	292.08206	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2Na-H"	44.97116
"174175"	270.100118	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+2Na"	45.978436
"613737"	393.655568	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+2Na"	45.978436
"1115640"	146.544668	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2Na"	45.978436
"1398610"	98.032204	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H+2Na"	46.985712
"1430323"	294.123646	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H+HCOOH"	47.012746
"220144"	275.13314	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+3H2O+2H"	56.04448
"1508761"	308.17569	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+IsoProp+H"	61.06479
"408575"	278.087088	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+Na+K"	61.952376
"771696"	401.642538	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+Na+K"	61.952376
"1676052"	154.531638	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Na+K"	61.952376
"264760"	558.237568	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+ACN+Na"	64.015768
"1238562"	311.126668	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+ACN+Na"	64.015768
"1720887"	311.150193	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+NH4+HCOOH"	64.039293
"1193414"	105.359518	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+3Na"	68.967654
"1665414"	316.105588	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Na+HCOOH"	68.994688
"170653"	571.14084	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+2K-H"	76.91904
"609121"	818.25174	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+2K-H"	76.91904
"1095821"	324.02994	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2K-H"	76.91904
"154823"	286.074058	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"2M+2K"	77.926316
"594382"	409.629508	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"3M+2K"	77.926316
"1081082"	162.518608	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2K"	77.926316
"1114658"	326.044492	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2K+H"	78.933592
"1350679"	326.132107	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+DMSO+H"	79.021207
"1020551"	330.171276	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2ACN+H"	83.060376
"1539526"	331.164908	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+IsoProp+Na+H"	84.054008
"1005122"	165.589276	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+2ACN+2H"	84.067652
"1601566"	332.079528	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+K+HCOOH"	84.968628
"1423946"	362.111038	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+H+CF3COOH"	115.000138
"1156421"	186.102551	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+3ACN+2H"	125.094202
"1702693"	379.137585	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+NH4+CF3COOH"	132.026685
"1635793"	384.09298	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+Na+CF3COOH"	136.98208
"1576189"	400.06692	"C19552"	"Yellow AB;1-(2-Phenyldiazenyl)-2-naphthalenamine"	"C16H13N3"	"247.1109"	"M+K+CF3COOH"	152.95602
"814210"	261.1266	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M"	0
"977900"	242.10821	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-H2O-H"	-19.01839
"71612"	173.077124	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M-3H"	-3.021828
"508985"	260.119324	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M-3H"	-3.021828
"892255"	86.034924	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-3H"	-3.021828
"15334"	260.119324	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M-2H"	-2.014552
"452950"	390.682624	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M-2H"	-2.014552
"830024"	129.556024	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-2H"	-2.014552
"91474"	521.245924	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M-H"	-1.007276
"528843"	782.372524	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M-H"	-1.007276
"907376"	260.119324	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-H"	-1.007276
"60657"	538.272471	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M-2H+NH4"	16.019271
"496206"	799.399071	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M-2H+NH4"	16.019271
"871820"	277.145871	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-2H+NH4"	16.019271
"36440"	543.227866	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M-2H+Na"	20.974666
"474174"	804.354466	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M-2H+Na"	20.974666
"857083"	282.101266	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-2H+Na"	20.974666
"1629902"	282.101266	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Na-2H"	20.974666
"105338"	278.107663	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M-H+Cl"	33.962126
"544170"	408.670963	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M-H+Cl"	33.962126
"937686"	147.544363	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-H+Cl"	33.962126
"278429"	557.222602	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+Cl"	34.969402
"670483"	818.349202	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+Cl"	34.969402
"1285807"	296.096002	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Cl"	34.969402
"27630"	559.201806	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M-2H+K"	36.948606
"465004"	820.328406	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M-2H+K"	36.948606
"842807"	298.075206	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-2H+K"	36.948606
"1567388"	298.075206	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+K-2H"	36.948606
"955272"	306.124794	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-H+HCOOH"	44.998194
"372394"	567.251401	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+HCOOH-H"	44.998201
"357371"	581.267051	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+Hac-H"	59.013851
"1504385"	320.140451	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Hac-H"	59.013851
"970470"	328.106751	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-H+NaCOOH"	66.980151
"122292"	296.096002	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+2Cl"	69.938804
"562945"	426.659302	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+2Cl"	69.938804
"1034297"	165.532702	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2Cl"	69.938804
"1254968"	340.045485	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Br"	78.918885
"1317418"	342.101472	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Cl+HCOOH"	80.974872
"1325075"	364.083429	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Cl+NaCOOH"	102.956829
"916132"	374.112186	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M-H+CF3COOH"	112.985586
"1293933"	410.088864	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Cl+CF3COOH"	148.962264
"1373186"	226.113924	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H-2H2O"	-35.012676
"1390687"	244.1239	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H-H2O"	-17.0027
"288188"	523.260476	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+H"	1.007276
"680609"	784.387076	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+H"	1.007276
"1360241"	262.133876	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H"	1.007276
"133129"	262.133876	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+2H"	2.014552
"568316"	392.697176	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+2H"	2.014552
"1040394"	131.570576	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2H"	2.014552
"211581"	175.091676	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+3H"	3.021828
"651141"	262.133876	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+3H"	3.021828
"1170357"	88.049476	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+3H"	3.021828
"429255"	540.287023	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+NH4"	18.033823
"795720"	801.413623	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+NH4"	18.033823
"1683304"	279.160423	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+NH4"	18.033823
"332678"	270.6471495	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+H+NH4"	19.041099
"724005"	401.2104495	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+H+NH4"	19.041099
"1482200"	140.0838495	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H+NH4"	19.041099
"393011"	545.242418	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+Na"	22.989218
"754449"	806.369018	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+Na"	22.989218
"1602791"	284.115818	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Na"	22.989218
"314315"	273.124847	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+H+Na"	23.996494
"707225"	403.688147	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+H+Na"	23.996494
"1462972"	142.561547	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H+Na"	23.996494
"1055121"	95.37679	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2H+Na"	25.00377
"1257889"	294.160086	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+CH3OH+H"	33.033486
"377388"	561.216358	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+K"	38.963158
"738711"	822.342958	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+K"	38.963158
"1540727"	300.089758	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+K"	38.963158
"299725"	281.111817	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+H+K"	39.970434
"691732"	411.675117	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+H+K"	39.970434
"1446578"	150.548517	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H+K"	39.970434
"235805"	564.287026	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+ACN+H"	42.033826
"1210802"	303.160426	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+ACN+H"	42.033826
"1195051"	152.083851	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+ACN+2H"	43.041102
"190113"	567.22436	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+2Na-H"	44.97116
"628900"	828.35096	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+2Na-H"	44.97116
"1133547"	306.09776	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2Na-H"	44.97116
"174285"	284.115818	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+2Na"	45.978436
"614210"	414.679118	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+2Na"	45.978436
"1115892"	153.552518	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2Na"	45.978436
"1399169"	102.704104	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H+2Na"	46.985712
"1430064"	308.139346	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H+HCOOH"	47.012746
"220532"	289.14884	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+3H2O+2H"	56.04448
"1508682"	322.19139	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+IsoProp+H"	61.06479
"408973"	292.102788	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+Na+K"	61.952376
"770187"	422.666088	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+Na+K"	61.952376
"1673975"	161.539488	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Na+K"	61.952376
"254659"	586.268968	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+ACN+Na"	64.015768
"1237578"	325.142368	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+ACN+Na"	64.015768
"1725737"	325.165893	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+NH4+HCOOH"	64.039293
"1194126"	110.031418	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+3Na"	68.967654
"1664509"	330.121288	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Na+HCOOH"	68.994688
"170401"	599.17224	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+2K-H"	76.91904
"612027"	860.29884	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+2K-H"	76.91904
"1099810"	338.04564	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2K-H"	76.91904
"156273"	300.089758	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"2M+2K"	77.926316
"595345"	430.653058	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"3M+2K"	77.926316
"1082166"	169.526458	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2K"	77.926316
"1114892"	340.060192	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2K+H"	78.933592
"1351160"	340.147807	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+DMSO+H"	79.021207
"1020416"	344.186976	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2ACN+H"	83.060376
"1539395"	345.180608	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+IsoProp+Na+H"	84.054008
"1004626"	172.597126	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+2ACN+2H"	84.067652
"1600583"	346.095228	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+K+HCOOH"	84.968628
"1424057"	376.126738	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+H+CF3COOH"	115.000138
"1155438"	193.110401	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+3ACN+2H"	125.094202
"1701710"	393.153285	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+NH4+CF3COOH"	132.026685
"1637363"	398.10868	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+Na+CF3COOH"	136.98208
"1585047"	414.08262	"C19553"	"Yellow OB;1-2-(2-Methylphenyl)diazenyl-2-naphthalenamine"	"C17H15N3"	"261.1266"	"M+K+CF3COOH"	152.95602
"805573"	159.8546	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M"	0
"985668"	140.83621	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-H2O-H"	-19.01839
"72816"	105.562457333333	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M-3H"	-3.021828
"509096"	158.847324	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M-3H"	-3.021828
"887992"	52.2775906666667	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-3H"	-3.021828
"14221"	158.847324	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M-2H"	-2.014552
"453786"	238.774624	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M-2H"	-2.014552
"829768"	78.920024	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-2H"	-2.014552
"90126"	318.701924	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M-H"	-1.007276
"531139"	478.556524	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M-H"	-1.007276
"907852"	158.847324	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-H"	-1.007276
"58215"	335.728471	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M-2H+NH4"	16.019271
"498498"	495.583071	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M-2H+NH4"	16.019271
"874112"	175.873871	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-2H+NH4"	16.019271
"33267"	340.683866	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M-2H+Na"	20.974666
"479392"	500.538466	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M-2H+Na"	20.974666
"860476"	180.829266	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-2H+Na"	20.974666
"1628918"	180.829266	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Na-2H"	20.974666
"106545"	176.835663	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M-H+Cl"	33.962126
"545011"	256.762963	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M-H+Cl"	33.962126
"938161"	96.908363	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-H+Cl"	33.962126
"277446"	354.678602	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+Cl"	34.969402
"669869"	514.533202	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+Cl"	34.969402
"1284458"	194.824002	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Cl"	34.969402
"27745"	356.657806	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M-2H+K"	36.948606
"471076"	516.512406	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M-2H+K"	36.948606
"846079"	196.803206	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-2H+K"	36.948606
"1567137"	196.803206	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+K-2H"	36.948606
"954289"	204.852794	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-H+HCOOH"	44.998194
"372505"	364.707401	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+HCOOH-H"	44.998201
"356390"	378.723051	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+Hac-H"	59.013851
"1503764"	218.868451	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Hac-H"	59.013851
"967295"	226.834751	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-H+NaCOOH"	66.980151
"119483"	194.824002	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+2Cl"	69.938804
"560867"	274.751302	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+2Cl"	69.938804
"1030031"	114.896702	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2Cl"	69.938804
"1253988"	238.773485	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Br"	78.918885
"1314252"	240.829472	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Cl+HCOOH"	80.974872
"1326279"	262.811429	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Cl+NaCOOH"	102.956829
"915513"	272.840186	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M-H+CF3COOH"	112.985586
"1294043"	308.816864	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Cl+CF3COOH"	148.962264
"1372205"	124.841924	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H-2H2O"	-35.012676
"1395903"	142.8519	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H-H2O"	-17.0027
"291581"	320.716476	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+H"	1.007276
"677445"	480.571076	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+H"	1.007276
"1354887"	160.861876	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H"	1.007276
"133242"	160.861876	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+2H"	2.014552
"572802"	240.789176	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+2H"	2.014552
"1041604"	80.934576	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2H"	2.014552
"209504"	107.577009333333	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+3H"	3.021828
"649064"	160.861876	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+3H"	3.021828
"1170467"	54.2921426666667	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+3H"	3.021828
"432647"	337.743023	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+NH4"	18.033823
"792547"	497.597623	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+NH4"	18.033823
"1683413"	177.888423	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+NH4"	18.033823
"338251"	169.3751495	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+H+NH4"	19.041099
"724111"	249.3024495	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+H+NH4"	19.041099
"1478293"	89.4478495	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H+NH4"	19.041099
"393687"	342.698418	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+Na"	22.989218
"754802"	502.553018	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+Na"	22.989218
"1602945"	182.843818	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Na"	22.989218
"314883"	171.852847	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+H+Na"	23.996494
"712542"	251.780147	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+H+Na"	23.996494
"1462716"	91.925547	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H+Na"	23.996494
"1053771"	61.6194566666667	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2H+Na"	25.00377
"1258366"	192.888086	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+CH3OH+H"	33.033486
"379124"	358.672358	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+K"	38.963158
"739631"	518.526958	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+K"	38.963158
"1540346"	198.817758	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+K"	38.963158
"302264"	179.839817	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+H+K"	39.970434
"693593"	259.767117	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+H+K"	39.970434
"1447413"	99.912517	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H+K"	39.970434
"236135"	361.743026	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+ACN+H"	42.033826
"1211397"	201.888426	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+ACN+H"	42.033826
"1199181"	101.447851	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+ACN+2H"	43.041102
"190591"	364.68036	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+2Na-H"	44.97116
"631615"	524.53496	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+2Na-H"	44.97116
"1134028"	204.82576	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2Na-H"	44.97116
"174033"	182.843818	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+2Na"	45.978436
"614314"	262.771118	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+2Na"	45.978436
"1116400"	102.916518	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2Na"	45.978436
"1399645"	68.9467706666667	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H+2Na"	46.985712
"1430665"	206.867346	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H+HCOOH"	47.012746
"220602"	187.87684	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+3H2O+2H"	56.04448
"1509068"	220.91939	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+IsoProp+H"	61.06479
"410560"	190.830788	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+Na+K"	61.952376
"781035"	270.758088	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+Na+K"	61.952376
"1677367"	110.903488	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Na+K"	61.952376
"260605"	383.724968	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+ACN+Na"	64.015768
"1238783"	223.870368	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+ACN+Na"	64.015768
"1723295"	223.893893	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+NH4+HCOOH"	64.039293
"1184275"	76.2740846666667	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+3Na"	68.967654
"1659636"	228.849288	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Na+HCOOH"	68.994688
"166501"	396.62824	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+2K-H"	76.91904
"610071"	556.48284	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+2K-H"	76.91904
"1094946"	236.77364	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2K-H"	76.91904
"155532"	198.817758	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"2M+2K"	77.926316
"596308"	278.745058	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"3M+2K"	77.926316
"1079118"	118.890458	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2K"	77.926316
"1113300"	238.788192	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2K+H"	78.933592
"1349804"	238.875807	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+DMSO+H"	79.021207
"1020164"	242.914976	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2ACN+H"	83.060376
"1536460"	243.908608	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+IsoProp+Na+H"	84.054008
"1000722"	121.961126	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+2ACN+2H"	84.067652
"1591945"	244.823228	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+K+HCOOH"	84.968628
"1419793"	274.854738	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+H+CF3COOH"	115.000138
"1150083"	142.474401	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+3ACN+2H"	125.094202
"1699632"	291.881285	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+NH4+CF3COOH"	132.026685
"1648417"	296.83668	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+Na+CF3COOH"	136.98208
"1585158"	312.81062	"C19555"	"Hematite"	"Fe2O3"	"159.8546"	"M+K+CF3COOH"	152.95602
"814431"	215.1187	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M"	0
"985778"	196.10031	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-H2O-H"	-19.01839
"77913"	142.405190666667	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M-3H"	-3.021828
"514673"	214.111424	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M-3H"	-3.021828
"895035"	70.6989573333333	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-3H"	-3.021828
"14331"	214.111424	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M-2H"	-2.014552
"455110"	321.670774	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M-2H"	-2.014552
"830242"	106.552074	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-2H"	-2.014552
"91327"	429.230124	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M-H"	-1.007276
"531615"	644.348824	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M-H"	-1.007276
"908690"	214.111424	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-H"	-1.007276
"60150"	446.256671	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M-2H+NH4"	16.019271
"500674"	661.375371	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M-2H+NH4"	16.019271
"875316"	231.137971	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-2H+NH4"	16.019271
"33377"	451.212066	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M-2H+Na"	20.974666
"472089"	666.330766	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M-2H+Na"	20.974666
"848999"	236.093366	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-2H+Na"	20.974666
"1632557"	236.093366	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Na-2H"	20.974666
"105926"	232.099763	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M-H+Cl"	33.962126
"546214"	339.659113	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M-H+Cl"	33.962126
"939365"	124.540413	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-H+Cl"	33.962126
"279380"	465.206802	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+Cl"	34.969402
"672166"	680.325502	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+Cl"	34.969402
"1286882"	250.088102	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Cl"	34.969402
"29557"	467.186006	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M-2H+K"	36.948606
"469966"	682.304706	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M-2H+K"	36.948606
"847402"	252.067306	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-2H+K"	36.948606
"1569436"	252.067306	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+K-2H"	36.948606
"954400"	260.116894	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-H+HCOOH"	44.998194
"374438"	475.235601	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+HCOOH-H"	44.998201
"354314"	489.251251	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+Hac-H"	59.013851
"1500959"	274.132551	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Hac-H"	59.013851
"967405"	282.098851	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-H+NaCOOH"	66.980151
"119593"	250.088102	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+2Cl"	69.938804
"562806"	357.647452	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+2Cl"	69.938804
"1034155"	142.528752	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2Cl"	69.938804
"1255191"	294.037585	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Br"	78.918885
"1318007"	296.093572	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Cl+HCOOH"	80.974872
"1333559"	318.075529	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Cl+NaCOOH"	102.956829
"920728"	328.104286	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M-H+CF3COOH"	112.985586
"1300717"	364.080964	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Cl+CF3COOH"	148.962264
"1376690"	180.106024	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H-2H2O"	-35.012676
"1396377"	198.116	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H-H2O"	-17.0027
"297158"	431.244676	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+H"	1.007276
"679742"	646.363376	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+H"	1.007276
"1360465"	216.125976	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H"	1.007276
"136632"	216.125976	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+2H"	2.014552
"572912"	323.685326	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+2H"	2.014552
"1048276"	108.566626	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2H"	2.014552
"212896"	144.419742666667	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+3H"	3.021828
"657559"	216.125976	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+3H"	3.021828
"1172766"	72.7135093333333	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+3H"	3.021828
"434944"	448.271223	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+NH4"	18.033823
"798856"	663.389923	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+NH4"	18.033823
"1694823"	233.152523	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+NH4"	18.033823
"339456"	224.6392495	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+H+NH4"	19.041099
"729690"	332.1985995	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+H+NH4"	19.041099
"1477430"	117.0798995	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H+NH4"	19.041099
"393316"	453.226618	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+Na"	22.989218
"755036"	668.345318	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+Na"	22.989218
"1604235"	238.107918	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Na"	22.989218
"314632"	227.116947	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+H+Na"	23.996494
"712652"	334.676297	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+H+Na"	23.996494
"1462580"	119.557597	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H+Na"	23.996494
"1053677"	80.0408233333333	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2H+Na"	25.00377
"1257867"	248.152186	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+CH3OH+H"	33.033486
"380332"	469.200558	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+K"	38.963158
"740595"	684.319258	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+K"	38.963158
"1540821"	254.081858	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+K"	38.963158
"299334"	235.103917	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+H+K"	39.970434
"691999"	342.663267	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+H+K"	39.970434
"1447892"	127.544567	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H+K"	39.970434
"237221"	472.271226	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+ACN+H"	42.033826
"1212846"	257.152526	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+ACN+H"	42.033826
"1199291"	129.079901	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+ACN+2H"	43.041102
"190338"	475.20856	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+2Na-H"	44.97116
"632820"	690.32726	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+2Na-H"	44.97116
"1134139"	260.08986	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2Na-H"	44.97116
"176336"	238.107918	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+2Na"	45.978436
"614185"	345.667268	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+2Na"	45.978436
"1116027"	130.548568	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2Na"	45.978436
"1399076"	87.3681373333333	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H+2Na"	46.985712
"1430539"	262.131446	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H+HCOOH"	47.012746
"221452"	243.14094	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+3H2O+2H"	56.04448
"1508783"	276.18349	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+IsoProp+H"	61.06479
"408883"	246.094888	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+Na+K"	61.952376
"774585"	353.654238	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+Na+K"	61.952376
"1673830"	138.535538	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Na+K"	61.952376
"256340"	494.253168	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+ACN+Na"	64.015768
"1231236"	279.134468	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+ACN+Na"	64.015768
"1717934"	279.157993	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+NH4+HCOOH"	64.039293
"1183286"	94.6954513333333	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+3Na"	68.967654
"1653183"	284.113388	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Na+HCOOH"	68.994688
"166611"	507.15644	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+2K-H"	76.91904
"608359"	722.27514	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+2K-H"	76.91904
"1097976"	292.03774	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2K-H"	76.91904
"154670"	254.081858	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"2M+2K"	77.926316
"594595"	361.641208	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"3M+2K"	77.926316
"1080322"	146.522508	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2K"	77.926316
"1112437"	294.052292	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2K+H"	78.933592
"1347727"	294.139907	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+DMSO+H"	79.021207
"1019420"	298.179076	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2ACN+H"	83.060376
"1538641"	299.172708	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+IsoProp+Na+H"	84.054008
"1003019"	149.593176	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+2ACN+2H"	84.067652
"1590962"	300.087328	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+K+HCOOH"	84.968628
"1419903"	330.118838	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+H+CF3COOH"	115.000138
"1151286"	170.106451	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+3ACN+2H"	125.094202
"1697920"	347.145385	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+NH4+CF3COOH"	132.026685
"1648529"	352.10078	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+Na+CF3COOH"	136.98208
"1585268"	368.07472	"C19556"	"Tris(2-methyl-1-aziridinyl)phosphine oxide;Metepa"	"C9H18N3OP"	"215.1187"	"M+K+CF3COOH"	152.95602
"805793"	278.013	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M"	0
"985888"	258.99461	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-H2O-H"	-19.01839
"75223"	184.334724	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M-3H"	-3.021828
"511503"	277.005724	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M-3H"	-3.021828
"887119"	91.663724	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-3H"	-3.021828
"7881"	277.005724	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M-2H"	-2.014552
"450721"	416.012224	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M-2H"	-2.014552
"831803"	137.999224	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-2H"	-2.014552
"92163"	555.018724	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M-H"	-1.007276
"532086"	833.031724	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M-H"	-1.007276
"907702"	277.005724	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-H"	-1.007276
"59161"	572.045271	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M-2H+NH4"	16.019271
"493250"	850.058271	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M-2H+NH4"	16.019271
"871052"	294.032271	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-2H+NH4"	16.019271
"32146"	577.000666	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M-2H+Na"	20.974666
"472441"	855.013666	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M-2H+Na"	20.974666
"849392"	298.987666	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-2H+Na"	20.974666
"1632788"	298.987666	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Na-2H"	20.974666
"106762"	294.994063	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M-H+Cl"	33.962126
"547052"	434.000563	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M-H+Cl"	33.962126
"940567"	155.987563	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-H+Cl"	33.962126
"279489"	590.995402	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+Cl"	34.969402
"673003"	869.008402	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+Cl"	34.969402
"1287841"	312.982402	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Cl"	34.969402
"30152"	592.974606	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M-2H+K"	36.948606
"471048"	870.987606	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M-2H+K"	36.948606
"847147"	314.961606	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-2H+K"	36.948606
"1569179"	314.961606	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+K-2H"	36.948606
"953417"	323.011194	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-H+HCOOH"	44.998194
"373819"	601.024201	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+HCOOH-H"	44.998201
"356610"	615.039851	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+Hac-H"	59.013851
"1501069"	337.026851	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Hac-H"	59.013851
"967515"	344.993151	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-H+NaCOOH"	66.980151
"119339"	312.982402	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+2Cl"	69.938804
"563279"	451.988902	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+2Cl"	69.938804
"1034629"	173.975902	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2Cl"	69.938804
"1255301"	356.931885	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Br"	78.918885
"1316658"	358.987872	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Cl+HCOOH"	80.974872
"1331967"	380.969829	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Cl+NaCOOH"	102.956829
"919745"	390.998586	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M-H+CF3COOH"	112.985586
"1300463"	426.975264	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Cl+CF3COOH"	148.962264
"1373521"	243.000324	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H-2H2O"	-35.012676
"1396487"	261.0103	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H-H2O"	-17.0027
"298241"	557.033276	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+H"	1.007276
"680946"	835.046276	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+H"	1.007276
"1360575"	279.020276	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H"	1.007276
"134556"	279.020276	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+2H"	2.014552
"573022"	418.026776	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+2H"	2.014552
"1048386"	140.013776	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2H"	2.014552
"213006"	186.349276	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+3H"	3.021828
"651472"	279.020276	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+3H"	3.021828
"1171783"	93.678276	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+3H"	3.021828
"435054"	574.059823	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+NH4"	18.033823
"799329"	852.072823	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+NH4"	18.033823
"1696390"	296.046823	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+NH4"	18.033823
"339566"	287.5335495	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+H+NH4"	19.041099
"729800"	426.5400495	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+H+NH4"	19.041099
"1477460"	148.5270495	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H+NH4"	19.041099
"392923"	579.015218	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+Na"	22.989218
"754234"	857.028218	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+Na"	22.989218
"1603495"	301.002218	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Na"	22.989218
"314348"	290.011247	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+H+Na"	23.996494
"708872"	429.017747	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+H+Na"	23.996494
"1463053"	151.004747	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H+Na"	23.996494
"1052934"	101.00559	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2H+Na"	25.00377
"1258338"	311.046486	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+CH3OH+H"	33.033486
"378620"	594.989158	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+K"	38.963158
"740094"	873.002158	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+K"	38.963158
"1542026"	316.976158	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+K"	38.963158
"300295"	297.998217	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+H+K"	39.970434
"692230"	437.004717	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+H+K"	39.970434
"1446541"	158.991717	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H+K"	39.970434
"236238"	598.059826	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+ACN+H"	42.033826
"1212227"	320.046826	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+ACN+H"	42.033826
"1198308"	160.527051	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+ACN+2H"	43.041102
"189592"	600.99716	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+2Na-H"	44.97116
"632930"	879.01016	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+2Na-H"	44.97116
"1133156"	322.98416	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2Na-H"	44.97116
"173285"	301.002218	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+2Na"	45.978436
"612915"	440.008718	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+2Na"	45.978436
"1116095"	161.995718	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2Na"	45.978436
"1399752"	108.332904	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H+2Na"	46.985712
"1430041"	325.025746	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H+HCOOH"	47.012746
"220955"	306.03524	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+3H2O+2H"	56.04448
"1508559"	339.07779	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+IsoProp+H"	61.06479
"410415"	308.989188	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+Na+K"	61.952376
"773235"	447.995688	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+Na+K"	61.952376
"1667743"	169.982688	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Na+K"	61.952376
"256450"	620.041768	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+ACN+Na"	64.015768
"1228427"	342.028768	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+ACN+Na"	64.015768
"1718044"	342.052293	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+NH4+HCOOH"	64.039293
"1183031"	115.660218	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+3Na"	68.967654
"1653293"	347.007688	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Na+HCOOH"	68.994688
"166721"	632.94504	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+2K-H"	76.91904
"607375"	910.95804	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+2K-H"	76.91904
"1098936"	354.93204	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2K-H"	76.91904
"155144"	316.976158	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"2M+2K"	77.926316
"594826"	455.982658	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"3M+2K"	77.926316
"1079339"	177.969658	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2K"	77.926316
"1111454"	356.946592	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2K+H"	78.933592
"1348931"	357.034207	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+DMSO+H"	79.021207
"1018555"	361.073376	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2ACN+H"	83.060376
"1537774"	362.067008	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+IsoProp+Na+H"	84.054008
"999848"	181.040326	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+2ACN+2H"	84.067652
"1595445"	362.981628	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+K+HCOOH"	84.968628
"1421106"	393.013138	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+H+CF3COOH"	115.000138
"1147753"	201.553601	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+3ACN+2H"	125.094202
"1700217"	410.039685	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+NH4+CF3COOH"	132.026685
"1648275"	414.99508	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+Na+CF3COOH"	136.98208
"1585378"	430.96902	"C19557"	"Treosulfan"	"C6H14O8S2"	"278.013"	"M+K+CF3COOH"	152.95602
"805903"	248.0433	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M"	0
"982718"	229.02491	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H2O-H"	-19.01839
"75333"	164.354924	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-3H"	-3.021828
"504687"	247.036024	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-3H"	-3.021828
"890509"	81.673824	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-3H"	-3.021828
"7991"	247.036024	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H"	-2.014552
"450831"	371.057674	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H"	-2.014552
"828633"	123.014374	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H"	-2.014552
"90813"	495.079324	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-H"	-1.007276
"522720"	743.122624	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-H"	-1.007276
"901616"	247.036024	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H"	-1.007276
"57084"	512.105871	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+NH4"	16.019271
"488014"	760.149171	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H+NH4"	16.019271
"867882"	264.062571	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H+NH4"	16.019271
"31889"	517.061266	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+Na"	20.974666
"471648"	765.104566	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H+Na"	20.974666
"848842"	269.017966	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H+Na"	20.974666
"1623777"	269.017966	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na-2H"	20.974666
"102499"	265.024363	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-H+Cl"	33.962126
"543154"	389.046013	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-H+Cl"	33.962126
"938857"	141.002713	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+Cl"	33.962126
"275227"	531.056002	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Cl"	34.969402
"667646"	779.099302	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Cl"	34.969402
"1281142"	283.012702	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl"	34.969402
"24791"	533.035206	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M-2H+K"	36.948606
"465446"	781.078506	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M-2H+K"	36.948606
"841059"	284.991906	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-2H+K"	36.948606
"1564549"	284.991906	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K-2H"	36.948606
"950245"	293.041494	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+HCOOH"	44.998194
"369556"	541.084801	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+HCOOH-H"	44.998201
"350160"	555.100451	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Hac-H"	59.013851
"1497900"	307.057151	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Hac-H"	59.013851
"966534"	315.023451	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+NaCOOH"	66.980151
"116534"	283.012702	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Cl"	69.938804
"555004"	407.034352	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Cl"	69.938804
"1025625"	158.991052	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Cl"	69.938804
"1246661"	326.962185	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Br"	78.918885
"1311301"	329.018172	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+HCOOH"	80.974872
"1330621"	351.000129	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+NaCOOH"	102.956829
"924229"	361.028886	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M-H+CF3COOH"	112.985586
"1300574"	397.005564	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Cl+CF3COOH"	148.962264
"1372537"	213.030624	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H-2H2O"	-35.012676
"1397329"	231.0406	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H-H2O"	-17.0027
"290818"	497.093876	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H"	1.007276
"677776"	745.137176	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H"	1.007276
"1356311"	249.050576	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H"	1.007276
"131385"	249.050576	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2H"	2.014552
"569852"	373.072226	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2H"	2.014552
"1051777"	125.028926	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2H"	2.014552
"214210"	166.369476	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+3H"	3.021828
"650489"	249.050576	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+3H"	3.021828
"1170800"	83.688376	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3H"	3.021828
"429697"	514.120423	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+NH4"	18.033823
"792879"	762.163723	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+NH4"	18.033823
"1692491"	266.077123	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4"	18.033823
"336396"	257.5638495	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+NH4"	19.041099
"729910"	381.5854995	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+NH4"	19.041099
"1477146"	133.5421995	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+NH4"	19.041099
"392845"	519.075818	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Na"	22.989218
"754363"	767.119118	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Na"	22.989218
"1602786"	271.032518	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na"	22.989218
"314851"	260.041547	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+Na"	23.996494
"707227"	384.063197	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+Na"	23.996494
"1461348"	136.019897	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+Na"	23.996494
"1052996"	91.01569	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2H+Na"	25.00377
"1257720"	281.076786	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+CH3OH+H"	33.033486
"377631"	535.049758	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+K"	38.963158
"739355"	783.093058	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+K"	38.963158
"1540314"	287.006458	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K"	38.963158
"298628"	268.028517	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+H+K"	39.970434
"691498"	392.050167	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+H+K"	39.970434
"1445624"	144.006867	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+K"	39.970434
"235708"	538.120426	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+ACN+H"	42.033826
"1210149"	290.077126	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+H"	42.033826
"1198418"	145.542201	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+2H"	43.041102
"189581"	541.05776	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Na-H"	44.97116
"633040"	789.10106	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Na-H"	44.97116
"1133508"	293.01446	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Na-H"	44.97116
"173516"	271.032518	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2Na"	45.978436
"613105"	395.054168	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2Na"	45.978436
"1116125"	147.010868	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2Na"	45.978436
"1398558"	98.343004	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+2Na"	46.985712
"1430070"	295.056046	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+HCOOH"	47.012746
"220163"	276.06554	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+3H2O+2H"	56.04448
"1508996"	309.10809	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+IsoProp+H"	61.06479
"409917"	279.019488	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+Na+K"	61.952376
"773710"	403.041138	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+Na+K"	61.952376
"1667122"	154.997838	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+K"	61.952376
"256560"	560.102368	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+ACN+Na"	64.015768
"1225863"	312.059068	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+ACN+Na"	64.015768
"1718154"	312.082593	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4+HCOOH"	64.039293
"1179860"	105.670318	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3Na"	68.967654
"1654496"	317.037988	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+HCOOH"	68.994688
"167924"	573.00564	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2K-H"	76.91904
"608577"	821.04894	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2K-H"	76.91904
"1097465"	324.96234	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K-H"	76.91904
"150998"	287.006458	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"2M+2K"	77.926316
"594815"	411.028108	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"3M+2K"	77.926316
"1080542"	162.984808	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K"	77.926316
"1111564"	326.976892	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2K+H"	78.933592
"1349040"	327.064507	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+DMSO+H"	79.021207
"1017571"	331.103676	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2ACN+H"	83.060376
"1535696"	332.097308	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+IsoProp+Na+H"	84.054008
"997771"	166.055476	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+2ACN+2H"	84.067652
"1593367"	333.011928	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K+HCOOH"	84.968628
"1421216"	363.043438	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+H+CF3COOH"	115.000138
"1148956"	186.568751	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+3ACN+2H"	125.094202
"1699234"	380.069985	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+NH4+CF3COOH"	132.026685
"1649761"	385.02538	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+Na+CF3COOH"	136.98208
"1585488"	400.99932	"C19558"	"AF-2;Furylfuramide;2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide"	"C11H8N2O5"	"248.0433"	"M+K+CF3COOH"	152.95602
"806013"	306.1256	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M"	0
"982828"	287.10721	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-H2O-H"	-19.01839
"72163"	203.076457333333	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M-3H"	-3.021828
"505162"	305.118324	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M-3H"	-3.021828
"888432"	101.034590666667	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-3H"	-3.021828
"2633"	305.118324	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M-2H"	-2.014552
"440162"	458.181124	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M-2H"	-2.014552
"825462"	152.055524	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-2H"	-2.014552
"87643"	611.243924	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M-H"	-1.007276
"522830"	917.369524	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M-H"	-1.007276
"900632"	305.118324	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-H"	-1.007276
"55006"	628.270471	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M-2H+NH4"	16.019271
"487514"	934.396071	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M-2H+NH4"	16.019271
"867992"	322.144871	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-2H+NH4"	16.019271
"31462"	633.225866	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M-2H+Na"	20.974666
"471458"	939.351466	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M-2H+Na"	20.974666
"848585"	327.100266	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-2H+Na"	20.974666
"1621700"	327.100266	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Na-2H"	20.974666
"102609"	323.106663	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M-H+Cl"	33.962126
"544357"	476.169463	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M-H+Cl"	33.962126
"938967"	170.043863	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-H+Cl"	33.962126
"280441"	647.220602	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+Cl"	34.969402
"665205"	953.346202	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+Cl"	34.969402
"1282345"	341.095002	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Cl"	34.969402
"22715"	649.199806	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M-2H+K"	36.948606
"462276"	955.325406	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M-2H+K"	36.948606
"844452"	343.074206	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-2H+K"	36.948606
"1563566"	343.074206	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+K-2H"	36.948606
"947075"	351.123794	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-H+HCOOH"	44.998194
"368572"	657.249401	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+HCOOH-H"	44.998201
"350270"	671.265051	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+Hac-H"	59.013851
"1499103"	365.139451	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Hac-H"	59.013851
"968830"	373.105751	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-H+NaCOOH"	66.980151
"116645"	341.095002	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+2Cl"	69.938804
"554020"	494.157802	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+2Cl"	69.938804
"1025006"	188.032202	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2Cl"	69.938804
"1245678"	385.044485	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Br"	78.918885
"1311411"	387.100472	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Cl+HCOOH"	80.974872
"1330001"	409.082429	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Cl+NaCOOH"	102.956829
"921059"	419.111186	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M-H+CF3COOH"	112.985586
"1297768"	455.087864	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Cl+CF3COOH"	148.962264
"1372647"	271.112924	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H-2H2O"	-35.012676
"1395616"	289.1229	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H-H2O"	-17.0027
"288741"	613.258476	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+H"	1.007276
"678249"	919.384076	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+H"	1.007276
"1357514"	307.132876	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H"	1.007276
"131495"	307.132876	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+2H"	2.014552
"567775"	460.195676	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+2H"	2.014552
"1049700"	154.070076	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2H"	2.014552
"214320"	205.091009333333	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+3H"	3.021828
"650599"	307.132876	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+3H"	3.021828
"1170910"	103.049142666667	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+3H"	3.021828
"428714"	630.285023	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+NH4"	18.033823
"792989"	936.410623	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+NH4"	18.033823
"1692601"	324.159423	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+NH4"	18.033823
"336506"	315.6461495	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+H+NH4"	19.041099
"730020"	468.7089495	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+H+NH4"	19.041099
"1477520"	162.5833495	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H+NH4"	19.041099
"398144"	635.240418	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+Na"	22.989218
"754561"	941.366018	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+Na"	22.989218
"1603469"	329.114818	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Na"	22.989218
"314721"	318.123847	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+H+Na"	23.996494
"707744"	471.186647	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+H+Na"	23.996494
"1461685"	165.061047	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H+Na"	23.996494
"1053840"	110.376456666667	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2H+Na"	25.00377
"1258800"	339.159086	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+CH3OH+H"	33.033486
"378469"	651.214358	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+K"	38.963158
"740193"	957.339958	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+K"	38.963158
"1541882"	345.088758	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+K"	38.963158
"299785"	326.110817	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+H+K"	39.970434
"691964"	479.173617	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+H+K"	39.970434
"1446389"	173.048017	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H+K"	39.970434
"235840"	654.285026	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+ACN+H"	42.033826
"1209952"	348.159426	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+ACN+H"	42.033826
"1197435"	174.583351	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+ACN+2H"	43.041102
"188721"	657.22236	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+2Na-H"	44.97116
"630961"	963.34796	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+2Na-H"	44.97116
"1133739"	351.09676	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2Na-H"	44.97116
"172889"	329.114818	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+2Na"	45.978436
"612911"	482.177618	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+2Na"	45.978436
"1115869"	176.052018	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2Na"	45.978436
"1398501"	117.703770666667	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H+2Na"	46.985712
"1429903"	353.138346	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H+HCOOH"	47.012746
"220056"	334.14784	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+3H2O+2H"	56.04448
"1509473"	367.19039	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+IsoProp+H"	61.06479
"410999"	337.101788	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+Na+K"	61.952376
"774913"	490.164588	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+Na+K"	61.952376
"1667963"	184.038988	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Na+K"	61.952376
"256670"	676.266968	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+ACN+Na"	64.015768
"1227919"	370.141368	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+ACN+Na"	64.015768
"1718264"	370.164893	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+NH4+HCOOH"	64.039293
"1179606"	125.031084666667	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+3Na"	68.967654
"1653510"	375.120288	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Na+HCOOH"	68.994688
"161469"	689.17024	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+2K-H"	76.91904
"607593"	995.29584	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+2K-H"	76.91904
"1095388"	383.04464	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2K-H"	76.91904
"152201"	345.088758	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"2M+2K"	77.926316
"589579"	498.151558	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"3M+2K"	77.926316
"1076278"	192.025958	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2K"	77.926316
"1110580"	385.059192	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2K+H"	78.933592
"1349150"	385.146807	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+DMSO+H"	79.021207
"1017681"	389.185976	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2ACN+H"	83.060376
"1534711"	390.179608	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+IsoProp+Na+H"	84.054008
"997882"	195.096626	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+2ACN+2H"	84.067652
"1592384"	391.094228	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+K+HCOOH"	84.968628
"1419139"	421.125738	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+H+CF3COOH"	115.000138
"1150524"	215.609901	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+3ACN+2H"	125.094202
"1698251"	438.152285	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+NH4+CF3COOH"	132.026685
"1648859"	443.10768	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+Na+CF3COOH"	136.98208
"1585598"	459.08162	"C19559"	"(1aalpha2beta3alpha11calpha)-1a2311c-Tetrahydro-611-dimethylbenzo67phenanthro34-boxirene-23-diol"	"C20H18O3"	"306.1256"	"M+K+CF3COOH"	152.95602
"806123"	174.0429	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M"	0
"982938"	155.02451	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-H2O-H"	-19.01839
"70086"	115.021324	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M-3H"	-3.021828
"503814"	173.035624	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M-3H"	-3.021828
"885262"	57.007024	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-3H"	-3.021828
"920"	173.035624	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M-2H"	-2.014552
"441573"	260.057074	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M-2H"	-2.014552
"828853"	86.014174	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-2H"	-2.014552
"85565"	347.078524	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M-H"	-1.007276
"521117"	521.121424	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M-H"	-1.007276
"900742"	173.035624	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-H"	-1.007276
"56209"	364.105071	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M-2H+NH4"	16.019271
"487504"	538.147971	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M-2H+NH4"	16.019271
"865063"	190.062171	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-2H+NH4"	16.019271
"31749"	369.060466	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M-2H+Na"	20.974666
"472287"	543.103366	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M-2H+Na"	20.974666
"850089"	195.017566	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-2H+Na"	20.974666
"1622903"	195.017566	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Na-2H"	20.974666
"103811"	191.023963	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M-H+Cl"	33.962126
"544103"	278.045413	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M-H+Cl"	33.962126
"935792"	104.002513	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-H+Cl"	33.962126
"275446"	383.055202	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+Cl"	34.969402
"668961"	557.098102	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+Cl"	34.969402
"1283551"	209.012302	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Cl"	34.969402
"25741"	385.034406	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M-2H+K"	36.948606
"467488"	559.077306	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M-2H+K"	36.948606
"841281"	210.991506	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-2H+K"	36.948606
"1563676"	210.991506	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+K-2H"	36.948606
"948279"	219.041094	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-H+HCOOH"	44.998194
"368682"	393.084001	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+HCOOH-H"	44.998201
"352567"	407.099651	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+Hac-H"	59.013851
"1502493"	233.056751	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Hac-H"	59.013851
"968940"	241.023051	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-H+NaCOOH"	66.980151
"117848"	209.012302	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+2Cl"	69.938804
"556317"	296.033752	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+2Cl"	69.938804
"1028396"	121.990852	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2Cl"	69.938804
"1251255"	252.961785	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Br"	78.918885
"1311521"	255.017772	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Cl+HCOOH"	80.974872
"1323550"	276.999729	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Cl+NaCOOH"	102.956829
"916793"	287.028486	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M-H+CF3COOH"	112.985586
"1293501"	323.005164	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Cl+CF3COOH"	148.962264
"1371662"	139.030224	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H-2H2O"	-35.012676
"1393537"	157.0402	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H-H2O"	-17.0027
"286667"	349.093076	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+H"	1.007276
"680182"	523.135976	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+H"	1.007276
"1357625"	175.050176	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H"	1.007276
"130513"	175.050176	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+2H"	2.014552
"570071"	262.071626	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+2H"	2.014552
"1042155"	88.028726	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2H"	2.014552
"211149"	117.035876	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+3H"	3.021828
"649616"	175.050176	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+3H"	3.021828
"1164092"	59.021576	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+3H"	3.021828
"432104"	366.119623	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+NH4"	18.033823
"787752"	540.162523	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+NH4"	18.033823
"1694898"	192.076723	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+NH4"	18.033823
"343176"	183.5634495	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+H+NH4"	19.041099
"733410"	270.5848995	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+H+NH4"	19.041099
"1479575"	96.5419995	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H+NH4"	19.041099
"401534"	371.075018	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+Na"	22.989218
"766538"	545.117918	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+Na"	22.989218
"1607349"	197.032118	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Na"	22.989218
"323947"	186.041147	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+H+Na"	23.996494
"707739"	273.062597	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+H+Na"	23.996494
"1462653"	99.019697	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H+Na"	23.996494
"1053713"	66.34889	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2H+Na"	25.00377
"1260007"	207.076386	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+CH3OH+H"	33.033486
"378946"	387.048958	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+K"	38.963158
"739336"	561.091858	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+K"	38.963158
"1540899"	213.006058	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+K"	38.963158
"299533"	194.028117	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+H+K"	39.970434
"692689"	281.049567	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+H+K"	39.970434
"1446381"	107.006667	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H+K"	39.970434
"235957"	390.119626	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+ACN+H"	42.033826
"1211099"	216.076726	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+ACN+H"	42.033826
"1196815"	108.542001	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+ACN+2H"	43.041102
"189686"	393.05696	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+2Na-H"	44.97116
"629369"	567.09986	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+2Na-H"	44.97116
"1131405"	219.01406	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2Na-H"	44.97116
"173040"	197.032118	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+2Na"	45.978436
"613039"	284.053568	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+2Na"	45.978436
"1115819"	110.010668	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2Na"	45.978436
"1398581"	73.676204	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H+2Na"	46.985712
"1429891"	221.055646	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H+HCOOH"	47.012746
"220019"	202.06514	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+3H2O+2H"	56.04448
"1508666"	235.10769	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+IsoProp+H"	61.06479
"410744"	205.019088	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+Na+K"	61.952376
"775023"	292.040538	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+Na+K"	61.952376
"1668073"	117.997638	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Na+K"	61.952376
"255686"	412.101568	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+ACN+Na"	64.015768
"1226327"	238.058668	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+ACN+Na"	64.015768
"1716551"	238.082193	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+NH4+HCOOH"	64.039293
"1180082"	81.003518	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+3Na"	68.967654
"1653621"	243.037588	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Na+HCOOH"	68.994688
"161578"	425.00484	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+2K-H"	76.91904
"606611"	599.04774	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+2K-H"	76.91904
"1093311"	250.96194	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2K-H"	76.91904
"149031"	213.006058	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"2M+2K"	77.926316
"589689"	300.027508	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"3M+2K"	77.926316
"1073108"	125.984608	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2K"	77.926316
"1106316"	252.976492	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2K+H"	78.933592
"1344886"	253.064107	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+DMSO+H"	79.021207
"1017792"	257.103276	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2ACN+H"	83.060376
"1533729"	258.096908	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+IsoProp+Na+H"	84.054008
"994711"	129.055276	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+2ACN+2H"	84.067652
"1593588"	259.011528	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+K+HCOOH"	84.968628
"1420343"	289.043038	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+H+CF3COOH"	115.000138
"1147957"	149.568551	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+3ACN+2H"	125.094202
"1697629"	306.069585	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+NH4+CF3COOH"	132.026685
"1649333"	311.02498	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+Na+CF3COOH"	136.98208
"1585708"	326.99892	"C19560"	"Toluene diisocyanates"	"C9H6N2O2"	"174.0429"	"M+K+CF3COOH"	152.95602
"806233"	272.1201	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M"	0
"981955"	253.10171	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-H2O-H"	-19.01839
"70196"	180.406124	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M-3H"	-3.021828
"503923"	271.112824	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M-3H"	-3.021828
"882091"	89.699424	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-3H"	-3.021828
"65"	271.112824	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M-2H"	-2.014552
"440030"	407.172874	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M-2H"	-2.014552
"822401"	135.052774	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-2H"	-2.014552
"82393"	543.232924	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M-H"	-1.007276
"526327"	815.353024	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M-H"	-1.007276
"898663"	271.112824	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-H"	-1.007276
"53037"	560.259471	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M-2H+NH4"	16.019271
"488943"	832.379571	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M-2H+NH4"	16.019271
"864924"	288.139371	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-2H+NH4"	16.019271
"33431"	565.214866	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M-2H+Na"	20.974666
"471698"	837.334966	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M-2H+Na"	20.974666
"849458"	293.094766	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-2H+Na"	20.974666
"1619365"	293.094766	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Na-2H"	20.974666
"102825"	289.101163	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M-H+Cl"	33.962126
"544577"	425.161213	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M-H+Cl"	33.962126
"932622"	153.041113	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-H+Cl"	33.962126
"276282"	579.209602	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+Cl"	34.969402
"669797"	851.329702	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+Cl"	34.969402
"1284023"	307.089502	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Cl"	34.969402
"24031"	581.188806	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M-2H+K"	36.948606
"461403"	853.308906	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M-2H+K"	36.948606
"839205"	309.068706	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-2H+K"	36.948606
"1561599"	309.068706	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+K-2H"	36.948606
"948389"	317.118294	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-H+HCOOH"	44.998194
"365510"	589.238401	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+HCOOH-H"	44.998201
"349396"	603.254051	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+Hac-H"	59.013851
"1502602"	331.133951	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Hac-H"	59.013851
"963582"	339.100251	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-H+NaCOOH"	66.980151
"120509"	307.089502	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+2Cl"	69.938804
"556426"	443.149552	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+2Cl"	69.938804
"1030327"	171.029452	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2Cl"	69.938804
"1248084"	351.038985	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Br"	78.918885
"1310538"	353.094972	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Cl+HCOOH"	80.974872
"1323660"	375.076929	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Cl+NaCOOH"	102.956829
"917996"	385.105686	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M-H+CF3COOH"	112.985586
"1293973"	421.082364	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Cl+CF3COOH"	148.962264
"1373956"	237.107424	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H-2H2O"	-35.012676
"1390366"	255.1174	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H-H2O"	-17.0027
"286777"	545.247476	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+H"	1.007276
"677374"	817.367576	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+H"	1.007276
"1358828"	273.127376	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H"	1.007276
"131716"	273.127376	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+2H"	2.014552
"566900"	409.187426	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+2H"	2.014552
"1038618"	137.067326	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2H"	2.014552
"205060"	182.420676	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+3H"	3.021828
"651912"	273.127376	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+3H"	3.021828
"1162863"	91.713976	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+3H"	3.021828
"428934"	562.274023	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+NH4"	18.033823
"787741"	834.394123	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+NH4"	18.033823
"1690634"	290.153923	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+NH4"	18.033823
"340007"	281.6406495	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+H+NH4"	19.041099
"730241"	417.7006995	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+H+NH4"	19.041099
"1477740"	145.5805995	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H+NH4"	19.041099
"398364"	567.229418	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+Na"	22.989218
"758265"	839.349518	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+Na"	22.989218
"1605636"	295.109318	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Na"	22.989218
"321870"	284.118347	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+H+Na"	23.996494
"709916"	420.178397	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+H+Na"	23.996494
"1463735"	148.058297	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H+Na"	23.996494
"1054795"	99.04129	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2H+Na"	25.00377
"1261211"	305.153586	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+CH3OH+H"	33.033486
"381243"	583.203358	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+K"	38.963158
"740420"	855.323458	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+K"	38.963158
"1541740"	311.083258	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+K"	38.963158
"299283"	292.105317	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+H+K"	39.970434
"694622"	428.165367	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+H+K"	39.970434
"1446736"	156.045267	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H+K"	39.970434
"237772"	586.274026	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+ACN+H"	42.033826
"1212667"	314.153926	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+ACN+H"	42.033826
"1196561"	157.580601	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+ACN+2H"	43.041102
"188742"	589.21136	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+2Na-H"	44.97116
"630208"	861.33146	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+2Na-H"	44.97116
"1132014"	317.09126	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2Na-H"	44.97116
"175793"	295.109318	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+2Na"	45.978436
"613038"	431.169368	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+2Na"	45.978436
"1116052"	159.049268	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2Na"	45.978436
"1398568"	106.368604	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H+2Na"	46.985712
"1430238"	319.132846	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H+HCOOH"	47.012746
"220336"	300.14234	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+3H2O+2H"	56.04448
"1509819"	333.18489	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+IsoProp+H"	61.06479
"409762"	303.096288	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+Na+K"	61.952376
"775133"	439.156338	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+Na+K"	61.952376
"1666359"	167.036238	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Na+K"	61.952376
"254703"	608.255968	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+ACN+Na"	64.015768
"1226681"	336.135868	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+ACN+Na"	64.015768
"1714109"	336.159393	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+NH4+HCOOH"	64.039293
"1178895"	113.695918	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+3Na"	68.967654
"1650812"	341.114788	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Na+HCOOH"	68.994688
"159501"	621.15924	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+2K-H"	76.91904
"604532"	893.27934	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+2K-H"	76.91904
"1095605"	349.03914	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2K-H"	76.91904
"145860"	311.083258	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"2M+2K"	77.926316
"594172"	447.143308	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"3M+2K"	77.926316
"1074311"	175.023208	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2K"	77.926316
"1104239"	351.053692	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2K+H"	78.933592
"1343902"	351.141307	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+DMSO+H"	79.021207
"1014619"	355.180476	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2ACN+H"	83.060376
"1534932"	356.174108	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+IsoProp+Na+H"	84.054008
"993728"	178.093876	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+2ACN+2H"	84.067652
"1593697"	357.088728	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+K+HCOOH"	84.968628
"1421546"	387.120238	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+H+CF3COOH"	115.000138
"1147378"	198.607151	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+3ACN+2H"	125.094202
"1698105"	404.146785	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+NH4+CF3COOH"	132.026685
"1649080"	409.10218	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+Na+CF3COOH"	136.98208
"1585818"	425.07612	"C19561"	"7-Hydroxymethyl-12-methylbenzaanthracene;12-Methylbenzaanthracene-7-methanol"	"C20H16O"	"272.1201"	"M+K+CF3COOH"	152.95602
"806343"	352.0769	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M"	0
"983158"	333.05851	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-H2O-H"	-19.01839
"65932"	233.710657333333	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M-3H"	-3.021828
"503427"	351.069624	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M-3H"	-3.021828
"882201"	116.351690666667	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-3H"	-3.021828
"2227"	351.069624	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M-2H"	-2.014552
"445801"	527.108074	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M-2H"	-2.014552
"823604"	175.031174	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-2H"	-2.014552
"79586"	703.146524	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M-H"	-1.007276
"523157"	1055.223424	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M-H"	-1.007276
"898773"	351.069624	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-H"	-1.007276
"53147"	720.173071	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M-2H+NH4"	16.019271
"488572"	1072.249971	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M-2H+NH4"	16.019271
"866133"	368.096171	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-2H+NH4"	16.019271
"32450"	725.128466	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M-2H+Na"	20.974666
"471894"	1077.205366	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M-2H+Na"	20.974666
"851519"	373.051566	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-2H+Na"	20.974666
"1620936"	373.051566	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Na-2H"	20.974666
"105123"	369.057963	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M-H+Cl"	33.962126
"544687"	545.096413	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M-H+Cl"	33.962126
"934919"	193.019513	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-H+Cl"	33.962126
"273476"	739.123202	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+Cl"	34.969402
"670271"	1091.200102	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+Cl"	34.969402
"1284133"	387.046302	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Cl"	34.969402
"21225"	741.102406	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M-2H+K"	36.948606
"464792"	1093.179306	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M-2H+K"	36.948606
"840408"	389.025506	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-2H+K"	36.948606
"1564990"	389.025506	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+K-2H"	36.948606
"951777"	397.075094	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-H+HCOOH"	44.998194
"366713"	749.152001	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+HCOOH-H"	44.998201
"348411"	763.167651	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+Hac-H"	59.013851
"1501254"	411.090751	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Hac-H"	59.013851
"966975"	419.057051	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-H+NaCOOH"	66.980151
"120253"	387.046302	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+2Cl"	69.938804
"553257"	563.084752	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+2Cl"	69.938804
"1029708"	211.007852	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2Cl"	69.938804
"1243822"	430.995785	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Br"	78.918885
"1305181"	433.051772	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Cl+HCOOH"	80.974872
"1327050"	455.033729	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Cl+NaCOOH"	102.956829
"915920"	465.062486	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M-H+CF3COOH"	112.985586
"1292991"	501.039164	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Cl+CF3COOH"	148.962264
"1372976"	317.064224	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H-2H2O"	-35.012676
"1385005"	335.0742	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H-H2O"	-17.0027
"285793"	705.161076	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+H"	1.007276
"679307"	1057.237976	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+H"	1.007276
"1356751"	353.084176	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H"	1.007276
"130733"	353.084176	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+2H"	2.014552
"570291"	529.122626	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+2H"	2.014552
"1042371"	177.045726	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2H"	2.014552
"209542"	235.725209333333	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+3H"	3.021828
"652022"	353.084176	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+3H"	3.021828
"1166865"	118.366242666667	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+3H"	3.021828
"425764"	722.187623	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+NH4"	18.033823
"792225"	1074.264523	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+NH4"	18.033823
"1687465"	370.110723	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+NH4"	18.033823
"336837"	361.5974495	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+H+NH4"	19.041099
"728164"	537.6358995	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+H+NH4"	19.041099
"1481982"	185.5589995	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H+NH4"	19.041099
"400659"	727.143018	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+Na"	22.989218
"759467"	1079.219918	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+Na"	22.989218
"1613035"	375.066118	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Na"	22.989218
"324167"	364.075147	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+H+Na"	23.996494
"712578"	540.113597	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+H+Na"	23.996494
"1463847"	188.036697	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H+Na"	23.996494
"1055999"	125.693556666667	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2H+Na"	25.00377
"1262055"	385.110386	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+CH3OH+H"	33.033486
"381720"	743.116958	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+K"	38.963158
"741257"	1095.193858	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+K"	38.963158
"1542581"	391.040058	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+K"	38.963158
"303040"	372.062117	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+H+K"	39.970434
"693638"	548.100567	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+H+K"	39.970434
"1446488"	196.023667	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H+K"	39.970434
"236424"	746.187626	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+ACN+H"	42.033826
"1210955"	394.110726	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+ACN+H"	42.033826
"1196671"	197.559001	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+ACN+2H"	43.041102
"189908"	749.12496	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+2Na-H"	44.97116
"631656"	1101.20186	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+2Na-H"	44.97116
"1134070"	397.04806	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2Na-H"	44.97116
"175538"	375.066118	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+2Na"	45.978436
"613998"	551.104568	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+2Na"	45.978436
"1116408"	199.027668	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2Na"	45.978436
"1402856"	133.020870666667	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H+2Na"	46.985712
"1432055"	399.089646	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H+HCOOH"	47.012746
"225397"	380.09914	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+3H2O+2H"	56.04448
"1509809"	413.14169	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+IsoProp+H"	61.06479
"411330"	383.053088	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+Na+K"	61.952376
"775243"	559.091538	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+Na+K"	61.952376
"1666345"	207.014638	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Na+K"	61.952376
"252016"	768.169568	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+ACN+Na"	64.015768
"1228614"	416.092668	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+ACN+Na"	64.015768
"1713490"	416.116193	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+NH4+HCOOH"	64.039293
"1180297"	140.348184666667	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+3Na"	68.967654
"1651650"	421.071588	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Na+HCOOH"	68.994688
"159611"	781.07284	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+2K-H"	76.91904
"604642"	1133.14974	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+2K-H"	76.91904
"1094622"	428.99594	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2K-H"	76.91904
"145970"	391.040058	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"2M+2K"	77.926316
"584440"	567.078508	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"3M+2K"	77.926316
"1073328"	215.001608	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2K"	77.926316
"1101431"	431.010492	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2K+H"	78.933592
"1340731"	431.098107	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+DMSO+H"	79.021207
"1012543"	435.137276	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2ACN+H"	83.060376
"1533950"	436.130908	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+IsoProp+Na+H"	84.054008
"998212"	218.072276	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+2ACN+2H"	84.067652
"1598182"	437.045528	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+K+HCOOH"	84.968628
"1419467"	467.077038	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+H+CF3COOH"	115.000138
"1147813"	238.585551	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+3ACN+2H"	125.094202
"1697728"	484.103585	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+NH4+CF3COOH"	132.026685
"1648825"	489.05898	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+Na+CF3COOH"	136.98208
"1585928"	505.03292	"C19562"	"7-Hydroxymethyl-12-methylbenzaanthracene sulfate"	"C20H16O4S"	"352.0769"	"M+K+CF3COOH"	152.95602
"806453"	223.0957	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M"	0
"981081"	204.07731	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H2O-H"	-19.01839
"67135"	147.723190666667	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-3H"	-3.021828
"504506"	222.088424	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-3H"	-3.021828
"881217"	73.3579573333333	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-3H"	-3.021828
"1491"	222.088424	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H"	-2.014552
"445911"	333.636274	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H"	-2.014552
"820435"	110.540574	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H"	-2.014552
"79939"	445.184124	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-H"	-1.007276
"520351"	668.279824	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-H"	-1.007276
"896938"	222.088424	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H"	-1.007276
"49977"	462.210671	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H+NH4"	16.019271
"490630"	685.306371	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H+NH4"	16.019271
"866241"	239.114971	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H+NH4"	16.019271
"33778"	467.166066	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H+Na"	20.974666
"471922"	690.261766	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H+Na"	20.974666
"852602"	244.070366	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H+Na"	20.974666
"1621046"	244.070366	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na-2H"	20.974666
"105598"	240.076763	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-H+Cl"	33.962126
"542610"	351.624613	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-H+Cl"	33.962126
"932841"	128.528913	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+Cl"	33.962126
"276866"	481.160802	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Cl"	34.969402
"666006"	704.256502	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+Cl"	34.969402
"1282420"	258.065102	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl"	34.969402
"20971"	483.140006	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H+K"	36.948606
"461622"	706.235706	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H+K"	36.948606
"839424"	260.044306	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H+K"	36.948606
"1565100"	260.044306	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K-2H"	36.948606
"952617"	268.093894	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+HCOOH"	44.998194
"367917"	491.189601	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+HCOOH-H"	44.998201
"348156"	505.205251	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Hac-H"	59.013851
"1500635"	282.109551	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Hac-H"	59.013851
"965991"	290.075851	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+NaCOOH"	66.980151
"117084"	258.065102	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2Cl"	69.938804
"555552"	369.612952	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2Cl"	69.938804
"1027633"	146.517252	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2Cl"	69.938804
"1245024"	302.014585	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Br"	78.918885
"1305654"	304.070572	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl+HCOOH"	80.974872
"1323880"	326.052529	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl+NaCOOH"	102.956829
"918216"	336.081286	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+CF3COOH"	112.985586
"1293830"	372.057964	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl+CF3COOH"	148.962264
"1371993"	188.083024	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H-2H2O"	-35.012676
"1384750"	206.093	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H-H2O"	-17.0027
"285903"	447.198676	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H"	1.007276
"678325"	670.294376	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H"	1.007276
"1357954"	224.102976	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H"	1.007276
"131935"	224.102976	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2H"	2.014552
"569308"	335.650826	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2H"	2.014552
"1042482"	112.555126	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2H"	2.014552
"207465"	149.737742666667	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+3H"	3.021828
"648847"	224.102976	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+3H"	3.021828
"1165879"	75.3725093333333	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+3H"	3.021828
"425019"	464.225223	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+NH4"	18.033823
"793428"	687.320923	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+NH4"	18.033823
"1685386"	241.129523	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+NH4"	18.033823
"331844"	232.6162495	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H+NH4"	19.041099
"728274"	344.1640995	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H+NH4"	19.041099
"1488653"	121.0683995	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+NH4"	19.041099
"398584"	469.180618	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Na"	22.989218
"757392"	692.276318	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+Na"	22.989218
"1607679"	246.084918	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na"	22.989218
"318810"	235.093947	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H+Na"	23.996494
"708679"	346.641797	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H+Na"	23.996494
"1462500"	123.546097	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+Na"	23.996494
"1054652"	82.6998233333333	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2H+Na"	25.00377
"1260706"	256.129186	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+CH3OH+H"	33.033486
"378914"	485.154558	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+K"	38.963158
"739182"	708.250258	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+K"	38.963158
"1541599"	262.058858	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K"	38.963158
"302057"	243.080917	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H+K"	39.970434
"692292"	354.628767	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H+K"	39.970434
"1445787"	131.533067	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+K"	39.970434
"236172"	488.225226	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+ACN+H"	42.033826
"1212162"	265.129526	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+ACN+H"	42.033826
"1195201"	133.068401	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+ACN+2H"	43.041102
"192934"	491.16256	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2Na-H"	44.97116
"634682"	714.25826	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2Na-H"	44.97116
"1134180"	268.06686	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2Na-H"	44.97116
"175283"	246.084918	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2Na"	45.978436
"612916"	357.632768	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2Na"	45.978436
"1117495"	134.537068	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2Na"	45.978436
"1401142"	90.0271373333333	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+2Na"	46.985712
"1430948"	270.108446	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+HCOOH"	47.012746
"224414"	251.11794	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+3H2O+2H"	56.04448
"1509922"	284.16049	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+IsoProp+H"	61.06479
"409617"	254.071888	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Na+K"	61.952376
"775353"	365.619738	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+Na+K"	61.952376
"1666454"	142.524038	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na+K"	61.952376
"253219"	510.207168	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+ACN+Na"	64.015768
"1227631"	287.111468	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+ACN+Na"	64.015768
"1713600"	287.134993	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+NH4+HCOOH"	64.039293
"1179680"	97.3544513333333	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+3Na"	68.967654
"1653950"	292.090388	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na+HCOOH"	68.994688
"159234"	523.11044	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2K-H"	76.91904
"602563"	746.20614	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2K-H"	76.91904
"1092545"	300.01474	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2K-H"	76.91904
"146080"	262.058858	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2K"	77.926316
"584550"	373.606708	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2K"	77.926316
"1072344"	150.511008	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2K"	77.926316
"1101784"	302.029292	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2K+H"	78.933592
"1338654"	302.116907	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+DMSO+H"	79.021207
"1014839"	306.156076	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2ACN+H"	83.060376
"1534057"	307.149708	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+IsoProp+Na+H"	84.054008
"997229"	153.581676	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2ACN+2H"	84.067652
"1597199"	308.064328	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K+HCOOH"	84.968628
"1422857"	338.095838	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+CF3COOH"	115.000138
"1147924"	174.094951	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+3ACN+2H"	125.094202
"1697475"	355.122385	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+NH4+CF3COOH"	132.026685
"1641639"	360.07778	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na+CF3COOH"	136.98208
"1586038"	376.05172	"C19563"	"4-(Hydroxymethyl)nitrosoamino-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K+CF3COOH"	152.95602
"806563"	193.0851	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M"	0
"977911"	174.06671	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-H2O-H"	-19.01839
"65058"	127.716124	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M-3H"	-3.021828
"505710"	192.077824	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M-3H"	-3.021828
"884606"	63.354424	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-3H"	-3.021828
"1722"	192.077824	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M-2H"	-2.014552
"449301"	288.620374	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M-2H"	-2.014552
"823824"	95.535274	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-2H"	-2.014552
"80171"	385.162924	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M-H"	-1.007276
"518760"	578.248024	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M-H"	-1.007276
"896806"	192.077824	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-H"	-1.007276
"48264"	402.189471	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M-2H+NH4"	16.019271
"489646"	595.274571	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M-2H+NH4"	16.019271
"865260"	209.104371	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-2H+NH4"	16.019271
"33158"	407.144866	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M-2H+Na"	20.974666
"473818"	600.229966	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M-2H+Na"	20.974666
"852712"	214.059766	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-2H+Na"	20.974666
"1621156"	214.059766	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Na-2H"	20.974666
"102792"	210.066163	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M-H+Cl"	33.962126
"541622"	306.608713	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M-H+Cl"	33.962126
"937324"	113.523613	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-H+Cl"	33.962126
"273694"	421.139602	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+Cl"	34.969402
"667209"	614.224702	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+Cl"	34.969402
"1283623"	228.054502	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Cl"	34.969402
"25086"	423.118806	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M-2H+K"	36.948606
"463916"	616.203906	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M-2H+K"	36.948606
"839532"	230.033706	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-2H+K"	36.948606
"1563018"	230.033706	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+K-2H"	36.948606
"947622"	238.083294	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-H+HCOOH"	44.998194
"364747"	431.168401	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+HCOOH-H"	44.998201
"353006"	445.184051	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+Hac-H"	59.013851
"1500745"	252.098951	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Hac-H"	59.013851
"966101"	260.065251	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-H+NaCOOH"	66.980151
"118288"	228.054502	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+2Cl"	69.938804
"554570"	324.597052	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+2Cl"	69.938804
"1025556"	131.511952	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2Cl"	69.938804
"1243675"	272.003985	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Br"	78.918885
"1307588"	274.059972	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Cl+HCOOH"	80.974872
"1323990"	296.041929	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Cl+NaCOOH"	102.956829
"915047"	306.070686	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M-H+CF3COOH"	112.985586
"1292847"	342.047364	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Cl+CF3COOH"	148.962264
"1371010"	158.072424	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H-2H2O"	-35.012676
"1383404"	176.0824	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H-H2O"	-17.0027
"284191"	387.177476	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+H"	1.007276
"677096"	580.262576	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+H"	1.007276
"1358064"	194.092376	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H"	1.007276
"130952"	194.092376	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+2H"	2.014552
"566622"	290.634926	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+2H"	2.014552
"1041498"	97.549826	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2H"	2.014552
"207575"	129.730676	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+3H"	3.021828
"651144"	194.092376	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+3H"	3.021828
"1168176"	65.368976	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+3H"	3.021828
"425980"	404.204023	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+NH4"	18.033823
"794631"	597.289123	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+NH4"	18.033823
"1688776"	211.118923	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+NH4"	18.033823
"332318"	202.6056495	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+H+NH4"	19.041099
"725104"	299.1481995	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+H+NH4"	19.041099
"1488763"	106.0630995	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H+NH4"	19.041099
"398694"	409.159418	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+Na"	22.989218
"757502"	602.244518	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+Na"	22.989218
"1606695"	216.074318	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Na"	22.989218
"320012"	205.083347	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+H+Na"	23.996494
"708790"	301.625897	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+H+Na"	23.996494
"1461718"	108.540797	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H+Na"	23.996494
"1054032"	72.69629	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2H+Na"	25.00377
"1257899"	226.118586	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+CH3OH+H"	33.033486
"378295"	425.133358	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+K"	38.963158
"739292"	618.218458	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+K"	38.963158
"1542440"	232.048258	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+K"	38.963158
"304355"	213.070317	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+H+K"	39.970434
"692764"	309.612867	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+H+K"	39.970434
"1446341"	116.527767	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H+K"	39.970434
"237375"	428.204026	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+ACN+H"	42.033826
"1211299"	235.118926	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+ACN+H"	42.033826
"1196518"	118.063101	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+ACN+2H"	43.041102
"189762"	431.14136	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+2Na-H"	44.97116
"633699"	624.22646	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+2Na-H"	44.97116
"1134653"	238.05626	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2Na-H"	44.97116
"175393"	216.074318	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+2Na"	45.978436
"612941"	312.616868	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+2Na"	45.978436
"1118820"	119.531768	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2Na"	45.978436
"1398575"	80.023604	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H+2Na"	46.985712
"1430816"	240.097846	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H+HCOOH"	47.012746
"227804"	221.10734	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+3H2O+2H"	56.04448
"1508939"	254.14989	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+IsoProp+H"	61.06479
"410455"	224.061288	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+Na+K"	61.952376
"774370"	320.603838	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+Na+K"	61.952376
"1667050"	127.518738	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Na+K"	61.952376
"253572"	450.185968	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+ACN+Na"	64.015768
"1228105"	257.100868	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+ACN+Na"	64.015768
"1712981"	257.124393	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+NH4+HCOOH"	64.039293
"1178859"	87.350918	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+3Na"	68.967654
"1655154"	262.079788	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Na+HCOOH"	68.994688
"161288"	463.08924	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+2K-H"	76.91904
"602673"	656.17434	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+2K-H"	76.91904
"1089375"	270.00414	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2K-H"	76.91904
"147281"	232.048258	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"2M+2K"	77.926316
"586846"	328.590808	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"3M+2K"	77.926316
"1073547"	135.505708	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2K"	77.926316
"1102015"	272.018692	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2K+H"	78.933592
"1340950"	272.106307	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+DMSO+H"	79.021207
"1016044"	276.145476	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2ACN+H"	83.060376
"1535262"	277.139108	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+IsoProp+Na+H"	84.054008
"997339"	138.576376	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+2ACN+2H"	84.067652
"1597309"	278.053728	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+K+HCOOH"	84.968628
"1419687"	308.085238	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+H+CF3COOH"	115.000138
"1148884"	159.089651	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+3ACN+2H"	125.094202
"1697464"	325.111785	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+NH4+CF3COOH"	132.026685
"1638469"	330.06718	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+Na+CF3COOH"	136.98208
"1586148"	346.04112	"C19564"	"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C9H11N3O2"	"193.0851"	"M+K+CF3COOH"	152.95602
"806673"	165.079	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M"	0
"979114"	146.06061	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"64075"	109.045390666667	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"502938"	164.071724	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"882531"	54.0190573333333	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"3292"	164.071724	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"449411"	246.611224	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"823934"	81.532224	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"79674"	329.150724	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"518660"	494.229724	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"895736"	164.071724	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"47766"	346.177271	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"494132"	511.256271	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"869745"	181.098271	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"31690"	351.132666	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"475020"	516.211666	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"850636"	186.053666	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1620172"	186.053666	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"103266"	182.060063	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"540639"	264.599563	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"937070"	99.520563	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"273804"	365.127402	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"670235"	530.206402	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1286285"	200.048402	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"23372"	367.106606	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"463660"	532.185606	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"839643"	202.027606	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1567138"	202.027606	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"953928"	210.077194	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"371414"	375.156201	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"348012"	389.171851	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1500854"	224.092851	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"966211"	232.059151	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"117304"	200.048402	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"554680"	282.587902	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1026759"	117.508902	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1244879"	243.997885	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1307698"	246.053872	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1326287"	268.035829	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"916250"	278.064586	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1291864"	314.041264	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1370389"	130.066324	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1384606"	148.0763	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"286124"	331.165276	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"676479"	496.244276	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1354894"	166.086276	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"131062"	166.086276	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"566611"	248.625776	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1041607"	83.546776	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"210602"	111.059942666667	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"651254"	166.086276	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1166099"	56.0336093333333	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"427183"	348.191823	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"794741"	513.270823	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1692166"	183.112823	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"332064"	174.5995495	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"728494"	257.1390495	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1489967"	92.0600495	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"403177"	353.147218	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"760892"	518.226218	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1607898"	188.068218	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"317935"	177.077247	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"708901"	259.616747	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1463449"	94.537747	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1056329"	63.3609233333333	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1260561"	198.112486	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"378405"	369.121158	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"739403"	534.200158	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1545102"	204.042158	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"308838"	185.064217	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"693605"	267.603717	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1446696"	102.524717	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"240402"	372.191826	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1211653"	207.112826	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1195901"	104.060051	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"189993"	375.12916	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"633809"	540.20816	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1134763"	210.05016	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"175138"	188.068218	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"613721"	270.607718	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1118566"	105.528718	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1398720"	70.6882373333333	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1431655"	212.091746	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"227914"	193.10124	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1509777"	226.14379	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"412388"	196.055188	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"774480"	278.594688	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1666796"	113.515688	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"253315"	394.173768	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1226388"	229.094768	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1712758"	229.118293	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1180264"	78.0155513333333	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1651011"	234.073688	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"157509"	407.07704	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"600230"	572.15604	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1088391"	241.99804	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"144473"	204.042158	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"583676"	286.581658	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1073657"	121.502658	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1104678"	244.012592	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1337783"	244.100207	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1015061"	248.139376	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1533188"	249.133008	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"999636"	124.573326	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1596325"	250.047628	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1425266"	280.079138	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1147291"	145.086601	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1698182"	297.105685	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1638579"	302.06108	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1586258"	318.03502	"C19565"	"4-Hydroxy-1-(3-pyridinyl)-1-butanone"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"806783"	223.0957	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M"	0
"980317"	204.07731	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H2O-H"	-19.01839
"70745"	147.723190666667	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-3H"	-3.021828
"511398"	222.088424	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-3H"	-3.021828
"887014"	73.3579573333333	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-3H"	-3.021828
"4495"	222.088424	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H"	-2.014552
"446241"	333.636274	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H"	-2.014552
"824045"	110.540574	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H"	-2.014552
"82943"	445.184124	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-H"	-1.007276
"520319"	668.279824	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-H"	-1.007276
"896297"	222.088424	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H"	-1.007276
"48364"	462.210671	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H+NH4"	16.019271
"496429"	685.306371	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H+NH4"	16.019271
"866575"	239.114971	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H+NH4"	16.019271
"32160"	467.166066	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H+Na"	20.974666
"474037"	690.261766	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H+Na"	20.974666
"855122"	244.070366	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H+Na"	20.974666
"1625750"	244.070366	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na-2H"	20.974666
"107385"	240.076763	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-H+Cl"	33.962126
"545851"	351.624613	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-H+Cl"	33.962126
"938273"	128.528913	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+Cl"	33.962126
"279017"	481.160802	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Cl"	34.969402
"674479"	704.256502	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+Cl"	34.969402
"1287000"	258.065102	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl"	34.969402
"25669"	483.140006	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M-2H+K"	36.948606
"467414"	706.235706	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M-2H+K"	36.948606
"839753"	260.044306	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-2H+K"	36.948606
"1569802"	260.044306	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K-2H"	36.948606
"954402"	268.093894	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+HCOOH"	44.998194
"374439"	491.189601	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+HCOOH-H"	44.998201
"353223"	505.205251	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Hac-H"	59.013851
"1498777"	282.109551	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Hac-H"	59.013851
"967415"	290.075851	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+NaCOOH"	66.980151
"114496"	258.065102	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2Cl"	69.938804
"555884"	369.612952	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2Cl"	69.938804
"1026869"	146.517252	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2Cl"	69.938804
"1247541"	302.014585	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Br"	78.918885
"1306715"	304.070572	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl+HCOOH"	80.974872
"1323117"	326.052529	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl+NaCOOH"	102.956829
"916360"	336.081286	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M-H+CF3COOH"	112.985586
"1296347"	372.057964	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Cl+CF3COOH"	148.962264
"1374509"	188.083024	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H-2H2O"	-35.012676
"1384718"	206.093	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H-H2O"	-17.0027
"286234"	447.198676	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H"	1.007276
"677562"	670.294376	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H"	1.007276
"1359377"	224.102976	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H"	1.007276
"132265"	224.102976	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2H"	2.014552
"569638"	335.650826	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2H"	2.014552
"1042811"	112.555126	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2H"	2.014552
"211804"	149.737742666667	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+3H"	3.021828
"652457"	224.102976	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+3H"	3.021828
"1166209"	75.3725093333333	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+3H"	3.021828
"427292"	464.225223	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+NH4"	18.033823
"794851"	687.320923	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+NH4"	18.033823
"1692276"	241.129523	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+NH4"	18.033823
"335090"	232.6162495	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H+NH4"	19.041099
"730791"	344.1640995	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H+NH4"	19.041099
"1491170"	121.0683995	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+NH4"	19.041099
"398914"	469.180618	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Na"	22.989218
"761002"	692.276318	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+Na"	22.989218
"1611288"	246.084918	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na"	22.989218
"324605"	235.093947	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H+Na"	23.996494
"710103"	346.641797	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H+Na"	23.996494
"1465746"	123.546097	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+Na"	23.996494
"1056439"	82.6998233333333	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2H+Na"	25.00377
"1259576"	256.129186	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+CH3OH+H"	33.033486
"379973"	485.154558	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+K"	38.963158
"739877"	708.250258	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+K"	38.963158
"1541564"	262.058858	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K"	38.963158
"305668"	243.080917	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+H+K"	39.970434
"694808"	354.628767	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+H+K"	39.970434
"1446927"	131.533067	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+K"	39.970434
"238325"	488.225226	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+ACN+H"	42.033826
"1212127"	265.129526	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+ACN+H"	42.033826
"1195402"	133.068401	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+ACN+2H"	43.041102
"189126"	491.16256	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2Na-H"	44.97116
"637200"	714.25826	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2Na-H"	44.97116
"1139615"	268.06686	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2Na-H"	44.97116
"176707"	246.084918	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2Na"	45.978436
"614441"	357.632768	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2Na"	45.978436
"1122321"	134.537068	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2Na"	45.978436
"1399526"	90.0271373333333	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+2Na"	46.985712
"1430791"	270.108446	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+HCOOH"	47.012746
"228024"	251.11794	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+3H2O+2H"	56.04448
"1509278"	284.16049	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+IsoProp+H"	61.06479
"411766"	254.071888	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+Na+K"	61.952376
"772398"	365.619738	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+Na+K"	61.952376
"1666904"	142.524038	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na+K"	61.952376
"253061"	510.207168	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+ACN+Na"	64.015768
"1227227"	287.111468	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+ACN+Na"	64.015768
"1715025"	287.134993	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+NH4+HCOOH"	64.039293
"1179649"	97.3544513333333	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+3Na"	68.967654
"1652460"	292.090388	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na+HCOOH"	68.994688
"160779"	523.11044	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2K-H"	76.91904
"603985"	746.20614	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2K-H"	76.91904
"1092876"	300.01474	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2K-H"	76.91904
"144585"	262.058858	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"2M+2K"	77.926316
"591077"	373.606708	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"3M+2K"	77.926316
"1078509"	150.511008	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2K"	77.926316
"1109163"	302.029292	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2K+H"	78.933592
"1337893"	302.116907	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+DMSO+H"	79.021207
"1016264"	306.156076	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2ACN+H"	83.060376
"1534027"	307.149708	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+IsoProp+Na+H"	84.054008
"999746"	153.581676	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+2ACN+2H"	84.067652
"1592062"	308.064328	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K+HCOOH"	84.968628
"1425377"	338.095838	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+H+CF3COOH"	115.000138
"1150201"	174.094951	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+3ACN+2H"	125.094202
"1700845"	355.122385	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+NH4+CF3COOH"	132.026685
"1635042"	360.07778	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+Na+CF3COOH"	136.98208
"1576527"	376.05172	"C19566"	"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone"	"C10H13N3O3"	"223.0957"	"M+K+CF3COOH"	152.95602
"806893"	163.0633	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M"	0
"978241"	144.04491	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-H2O-H"	-19.01839
"66482"	107.701590666667	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M-3H"	-3.021828
"509322"	162.056024	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M-3H"	-3.021828
"884938"	53.3471573333333	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-3H"	-3.021828
"7886"	162.056024	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M-2H"	-2.014552
"441609"	243.587674	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M-2H"	-2.014552
"818443"	80.524374	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-2H"	-2.014552
"83055"	325.119324	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M-H"	-1.007276
"525894"	488.182624	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M-H"	-1.007276
"896404"	162.056024	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-H"	-1.007276
"50418"	342.145871	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M-2H+NH4"	16.019271
"496538"	505.209171	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M-2H+NH4"	16.019271
"869965"	179.082571	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-2H+NH4"	16.019271
"33003"	347.101266	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M-2H+Na"	20.974666
"474145"	510.164566	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M-2H+Na"	20.974666
"850858"	184.037966	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-2H+Na"	20.974666
"1624767"	184.037966	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Na-2H"	20.974666
"106766"	180.044363	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M-H+Cl"	33.962126
"545232"	261.576013	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M-H+Cl"	33.962126
"937654"	98.512713	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-H+Cl"	33.962126
"280951"	361.096002	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+Cl"	34.969402
"674953"	524.159302	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+Cl"	34.969402
"1287352"	198.032702	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Cl"	34.969402
"29425"	363.075206	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M-2H+K"	36.948606
"466431"	526.138506	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M-2H+K"	36.948606
"843143"	200.011906	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-2H+K"	36.948606
"1570883"	200.011906	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+K-2H"	36.948606
"955971"	208.061494	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-H+HCOOH"	44.998194
"373456"	371.124801	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+HCOOH-H"	44.998201
"353333"	385.140451	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+Hac-H"	59.013851
"1495605"	222.077151	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Hac-H"	59.013851
"969347"	230.043451	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-H+NaCOOH"	66.980151
"114606"	198.032702	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+2Cl"	69.938804
"555994"	279.564352	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+2Cl"	69.938804
"1028073"	116.501052	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2Cl"	69.938804
"1248744"	241.982185	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Br"	78.918885
"1305730"	244.038172	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Cl+HCOOH"	80.974872
"1323227"	266.020129	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Cl+NaCOOH"	102.956829
"915740"	276.048886	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M-H+CF3COOH"	112.985586
"1296457"	312.025564	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Cl+CF3COOH"	148.962264
"1375712"	128.050624	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H-2H2O"	-35.012676
"1393209"	146.0606	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H-H2O"	-17.0027
"286344"	327.133876	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+H"	1.007276
"677670"	490.197176	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+H"	1.007276
"1356207"	164.070576	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H"	1.007276
"131282"	164.070576	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+2H"	2.014552
"570112"	245.602226	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+2H"	2.014552
"1041827"	82.538926	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2H"	2.014552
"210820"	109.716142666667	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+3H"	3.021828
"648557"	164.070576	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+3H"	3.021828
"1164496"	55.3617093333333	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+3H"	3.021828
"429593"	344.160423	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+NH4"	18.033823
"788766"	507.223723	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+NH4"	18.033823
"1691294"	181.097123	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+NH4"	18.033823
"331309"	172.5838495	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+H+NH4"	19.041099
"723486"	254.1154995	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+H+NH4"	19.041099
"1482897"	91.0521995	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H+NH4"	19.041099
"402304"	349.115818	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+Na"	22.989218
"764392"	512.179118	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+Na"	22.989218
"1611399"	186.052518	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Na"	22.989218
"320341"	175.061547	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+H+Na"	23.996494
"709482"	256.593197	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+H+Na"	23.996494
"1464033"	93.529897	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H+Na"	23.996494
"1056549"	62.6890233333333	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2H+Na"	25.00377
"1260050"	196.096786	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+CH3OH+H"	33.033486
"379353"	365.089758	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+K"	38.963158
"741445"	528.153058	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+K"	38.963158
"1547509"	202.026458	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+K"	38.963158
"302498"	183.048517	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+H+K"	39.970434
"693826"	264.580167	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+H+K"	39.970434
"1446915"	101.516867	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H+K"	39.970434
"237342"	368.160426	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+ACN+H"	42.033826
"1212237"	205.097126	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+ACN+H"	42.033826
"1194663"	103.052201	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+ACN+2H"	43.041102
"188750"	371.09776	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+2Na-H"	44.97116
"629651"	534.16106	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+2Na-H"	44.97116
"1134252"	208.03446	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2Na-H"	44.97116
"181920"	186.052518	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+2Na"	45.978436
"617834"	267.584168	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+2Na"	45.978436
"1118421"	104.520868	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2Na"	45.978436
"1401946"	70.0163373333333	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H+2Na"	46.985712
"1432240"	210.076046	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H+HCOOH"	47.012746
"228134"	191.08554	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+3H2O+2H"	56.04448
"1511093"	224.12809	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+IsoProp+H"	61.06479
"409688"	194.039488	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+Na+K"	61.952376
"775790"	275.571138	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+Na+K"	61.952376
"1667379"	112.507838	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Na+K"	61.952376
"253535"	390.142368	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+ACN+Na"	64.015768
"1226729"	227.079068	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+ACN+Na"	64.015768
"1714770"	227.102593	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+NH4+HCOOH"	64.039293
"1180853"	77.3436513333333	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+3Na"	68.967654
"1655850"	232.057988	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Na+HCOOH"	68.994688
"160889"	403.04564	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+2K-H"	76.91904
"603366"	566.10894	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+2K-H"	76.91904
"1092986"	239.98234	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2K-H"	76.91904
"144330"	202.026458	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"2M+2K"	77.926316
"591551"	283.558108	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"3M+2K"	77.926316
"1078981"	120.494808	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2K"	77.926316
"1109273"	241.996892	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2K+H"	78.933592
"1345658"	242.084507	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+DMSO+H"	79.021207
"1015281"	246.123676	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2ACN+H"	83.060376
"1537422"	247.117308	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+IsoProp+Na+H"	84.054008
"999855"	123.565476	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+2ACN+2H"	84.067652
"1593265"	248.031928	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+K+HCOOH"	84.968628
"1424393"	278.063438	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+H+CF3COOH"	115.000138
"1149582"	144.078751	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+3ACN+2H"	125.094202
"1702049"	295.089985	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+NH4+CF3COOH"	132.026685
"1635030"	300.04538	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+Na+CF3COOH"	136.98208
"1586477"	316.01932	"C19567"	"4-Oxo-1-(3-pyridyl)-1-butanone;gamma-Oxo-3-pyridinebutanal;4-Oxo-4-(pyridin-3-yl)butanal;3-Succinoylsemialdehyde-pyridine"	"C9H9NO2"	"163.0633"	"M+K+CF3COOH"	152.95602
"815387"	60.0324	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M"	0
"988921"	41.01401	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-H2O-H"	-19.01839
"76434"	39.014324	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M-3H"	-3.021828
"513808"	59.025124	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M-3H"	-3.021828
"888330"	19.003524	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-3H"	-3.021828
"9091"	59.025124	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M-2H"	-2.014552
"449745"	89.041324	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M-2H"	-2.014552
"828640"	29.008924	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-2H"	-2.014552
"83166"	119.057524	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M-H"	-1.007276
"527100"	179.089924	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M-H"	-1.007276
"897612"	59.025124	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-H"	-1.007276
"50530"	136.084071	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M-2H+NH4"	16.019271
"497743"	196.116471	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M-2H+NH4"	16.019271
"877367"	76.051671	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-2H+NH4"	16.019271
"32875"	141.039466	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M-2H+Na"	20.974666
"475353"	201.071866	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M-2H+Na"	20.974666
"849628"	81.007066	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-2H+Na"	20.974666
"1622691"	81.007066	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Na-2H"	20.974666
"105783"	77.013463	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M-H+Cl"	33.962126
"547166"	107.029663	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M-H+Cl"	33.962126
"938858"	46.997263	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-H+Cl"	33.962126
"282156"	155.034202	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+Cl"	34.969402
"674088"	215.066602	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+Cl"	34.969402
"1287467"	95.001802	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Cl"	34.969402
"24797"	157.013406	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M-2H+K"	36.948606
"465451"	217.045806	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M-2H+K"	36.948606
"843984"	96.981006	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-2H+K"	36.948606
"1566742"	96.981006	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+K-2H"	36.948606
"954993"	105.030594	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-H+HCOOH"	44.998194
"373204"	165.063001	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+HCOOH-H"	44.998201
"357089"	179.078651	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+Hac-H"	59.013851
"1501549"	119.046251	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Hac-H"	59.013851
"967999"	127.012551	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-H+NaCOOH"	66.980151
"114355"	95.001802	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+2Cl"	69.938804
"559020"	125.018002	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+2Cl"	69.938804
"1034015"	64.985602	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2Cl"	69.938804
"1245940"	138.951285	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Br"	78.918885
"1309123"	141.007272	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Cl+HCOOH"	80.974872
"1323336"	162.989229	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Cl+NaCOOH"	102.956829
"914395"	173.017986	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M-H+CF3COOH"	112.985586
"1298754"	208.994664	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Cl+CF3COOH"	148.962264
"1378009"	25.019724	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H-2H2O"	-35.012676
"1386760"	43.0297	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H-H2O"	-17.0027
"285362"	121.072076	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+H"	1.007276
"677052"	181.104476	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+H"	1.007276
"1353763"	61.039676	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H"	1.007276
"130661"	61.039676	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+2H"	2.014552
"570951"	91.055876	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+2H"	2.014552
"1043029"	31.023476	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2H"	2.014552
"214211"	41.028876	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+3H"	3.021828
"651584"	61.039676	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+3H"	3.021828
"1170805"	21.018076	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+3H"	3.021828
"428609"	138.098623	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+NH4"	18.033823
"789971"	198.131023	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+NH4"	18.033823
"1687397"	78.066223	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+NH4"	18.033823
"330934"	69.5529495	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+H+NH4"	19.041099
"727368"	99.5691495	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+H+NH4"	19.041099
"1481551"	39.5367495	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H+NH4"	19.041099
"402417"	143.054018	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+Na"	22.989218
"763412"	203.086418	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+Na"	22.989218
"1608227"	83.021618	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Na"	22.989218
"316443"	72.030647	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+H+Na"	23.996494
"709230"	102.046847	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+H+Na"	23.996494
"1464508"	42.014447	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H+Na"	23.996494
"1056295"	28.34539	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2H+Na"	25.00377
"1260528"	93.065886	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+CH3OH+H"	33.033486
"381289"	159.027958	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+K"	38.963158
"746660"	219.060358	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+K"	38.963158
"1541057"	98.995558	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+K"	38.963158
"302608"	80.017617	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+H+K"	39.970434
"693206"	110.033817	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+H+K"	39.970434
"1447386"	50.001417	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H+K"	39.970434
"236723"	162.098626	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+ACN+H"	42.033826
"1212352"	102.066226	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+ACN+H"	42.033826
"1195508"	51.536751	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+ACN+2H"	43.041102
"195306"	165.03596	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+2Na-H"	44.97116
"632679"	225.06836	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+2Na-H"	44.97116
"1137278"	105.00356	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2Na-H"	44.97116
"180570"	83.021618	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+2Na"	45.978436
"616120"	113.037818	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+2Na"	45.978436
"1119626"	53.005418	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2Na"	45.978436
"1399015"	35.672704	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H+2Na"	46.985712
"1432350"	107.045146	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H+HCOOH"	47.012746
"222046"	88.05464	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+3H2O+2H"	56.04448
"1510837"	121.09719	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+IsoProp+H"	61.06479
"413811"	91.008588	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+Na+K"	61.952376
"771885"	121.024788	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+Na+K"	61.952376
"1667492"	60.992388	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Na+K"	61.952376
"253280"	184.080568	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+ACN+Na"	64.015768
"1227448"	124.048168	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+ACN+Na"	64.015768
"1715609"	124.071693	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+NH4+HCOOH"	64.039293
"1183151"	43.000018	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+3Na"	68.967654
"1663252"	129.027088	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Na+HCOOH"	68.994688
"160999"	196.98384	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+2K-H"	76.91904
"601288"	257.01624	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+2K-H"	76.91904
"1092000"	136.95144	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2K-H"	76.91904
"147722"	98.995558	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"2M+2K"	77.926316
"588380"	129.011758	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"3M+2K"	77.926316
"1075078"	68.979358	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2K"	77.926316
"1108289"	138.965992	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2K+H"	78.933592
"1345768"	139.053607	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+DMSO+H"	79.021207
"1016484"	143.092776	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2ACN+H"	83.060376
"1538988"	144.086408	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+IsoProp+Na+H"	84.054008
"1003247"	72.050026	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+2ACN+2H"	84.067652
"1595562"	145.001028	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+K+HCOOH"	84.968628
"1425597"	175.032538	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+H+CF3COOH"	115.000138
"1151512"	92.563301	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+3ACN+2H"	125.094202
"1701065"	192.059085	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+NH4+CF3COOH"	132.026685
"1636721"	197.01448	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+Na+CF3COOH"	136.98208
"1586587"	212.98842	"C19568"	"N-Nitrosomethanamine"	"CH4N2O"	"60.0324"	"M+K+CF3COOH"	152.95602
"807113"	179.0582	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M"	0
"985022"	160.03981	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-H2O-H"	-19.01839
"66703"	118.364857333333	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M-3H"	-3.021828
"513918"	178.050924	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M-3H"	-3.021828
"889533"	58.6787906666667	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-3H"	-3.021828
"5921"	178.050924	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M-2H"	-2.014552
"446574"	267.580024	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M-2H"	-2.014552
"826563"	88.521824	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-2H"	-2.014552
"82546"	357.109124	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M-H"	-1.007276
"523930"	536.167324	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M-H"	-1.007276
"900638"	178.050924	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-H"	-1.007276
"50639"	374.135671	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M-2H+NH4"	16.019271
"497853"	553.193871	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M-2H+NH4"	16.019271
"872375"	195.077471	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-2H+NH4"	16.019271
"33714"	379.091066	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M-2H+Na"	20.974666
"473276"	558.149266	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M-2H+Na"	20.974666
"852167"	200.032866	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-2H+Na"	20.974666
"1620978"	200.032866	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Na-2H"	20.974666
"104800"	196.039263	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M-H+Cl"	33.962126
"544359"	285.568363	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M-H+Cl"	33.962126
"938968"	106.510163	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-H+Cl"	33.962126
"281534"	393.085802	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+Cl"	34.969402
"675010"	572.144002	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+Cl"	34.969402
"1286362"	214.027602	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Cl"	34.969402
"23815"	395.065006	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M-2H+K"	36.948606
"462281"	574.123206	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M-2H+K"	36.948606
"843365"	216.006806	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-2H+K"	36.948606
"1566853"	216.006806	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+K-2H"	36.948606
"957290"	224.056394	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-H+HCOOH"	44.998194
"372950"	403.114601	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+HCOOH-H"	44.998201
"357199"	417.130251	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+Hac-H"	59.013851
"1502752"	238.072051	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Hac-H"	59.013851
"967742"	246.038351	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-H+NaCOOH"	66.980151
"112279"	214.027602	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+2Cl"	69.938804
"556214"	303.556702	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+2Cl"	69.938804
"1032302"	124.498502	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2Cl"	69.938804
"1244955"	257.977085	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Br"	78.918885
"1309233"	260.033072	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Cl+HCOOH"	80.974872
"1323446"	282.015029	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Cl+NaCOOH"	102.956829
"915598"	292.043786	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M-H+CF3COOH"	112.985586
"1296678"	328.020464	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Cl+CF3COOH"	148.962264
"1374839"	144.045524	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H-2H2O"	-35.012676
"1387964"	162.0555	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H-H2O"	-17.0027
"285472"	359.123676	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+H"	1.007276
"677162"	538.181876	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+H"	1.007276
"1353145"	180.065476	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H"	1.007276
"130041"	180.065476	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+2H"	2.014552
"576528"	269.594576	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+2H"	2.014552
"1048607"	90.536376	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2H"	2.014552
"216508"	120.379409333333	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+3H"	3.021828
"656068"	180.065476	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+3H"	3.021828
"1172008"	60.6933426666667	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+3H"	3.021828
"428720"	376.150223	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+NH4"	18.033823
"787529"	555.208423	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+NH4"	18.033823
"1684954"	197.092023	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+NH4"	18.033823
"335057"	188.5787495	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+H+NH4"	19.041099
"728571"	278.1078495	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+H+NH4"	19.041099
"1480567"	99.0496495	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H+NH4"	19.041099
"398517"	381.105618	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+Na"	22.989218
"763522"	560.163818	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+Na"	22.989218
"1607246"	202.047418	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Na"	22.989218
"317646"	191.056447	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+H+Na"	23.996494
"709340"	280.585547	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+H+Na"	23.996494
"1462794"	101.527347	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H+Na"	23.996494
"1056040"	68.0206566666667	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2H+Na"	25.00377
"1261730"	212.091686	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+CH3OH+H"	33.033486
"378116"	397.079558	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+K"	38.963158
"743489"	576.137758	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+K"	38.963158
"1541166"	218.021358	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+K"	38.963158
"300530"	199.043417	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+H+K"	39.970434
"692587"	288.572517	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+H+K"	39.970434
"1446405"	109.514317	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H+K"	39.970434
"235779"	400.150226	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+ACN+H"	42.033826
"1212459"	221.092026	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+ACN+H"	42.033826
"1194683"	111.049651	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+ACN+2H"	43.041102
"189215"	403.08756	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+2Na-H"	44.97116
"630602"	582.14576	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+2Na-H"	44.97116
"1139211"	224.02936	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2Na-H"	44.97116
"181044"	202.047418	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+2Na"	45.978436
"615137"	291.576518	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+2Na"	45.978436
"1117549"	112.518318	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2Na"	45.978436
"1399125"	75.3479706666667	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H+2Na"	46.985712
"1432095"	226.070946	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H+HCOOH"	47.012746
"221184"	207.08044	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+3H2O+2H"	56.04448
"1510947"	240.12299	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+IsoProp+H"	61.06479
"411734"	210.034388	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+Na+K"	61.952376
"771635"	299.563488	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+Na+K"	61.952376
"1666301"	120.505288	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Na+K"	61.952376
"252660"	422.132168	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+ACN+Na"	64.015768
"1227559"	243.073968	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+ACN+Na"	64.015768
"1714987"	243.097493	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+NH4+HCOOH"	64.039293
"1182896"	82.6752846666667	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+3Na"	68.967654
"1658988"	248.052888	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Na+HCOOH"	68.994688
"159651"	435.03544	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+2K-H"	76.91904
"600306"	614.09364	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+2K-H"	76.91904
"1088464"	255.97724	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2K-H"	76.91904
"146740"	218.021358	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"2M+2K"	77.926316
"588490"	307.550458	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"3M+2K"	77.926316
"1073002"	128.492258	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2K"	77.926316
"1106211"	257.991792	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2K+H"	78.933592
"1341503"	258.079407	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+DMSO+H"	79.021207
"1015501"	262.118576	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2ACN+H"	83.060376
"1535814"	263.112208	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+IsoProp+Na+H"	84.054008
"1002262"	131.562926	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+2ACN+2H"	84.067652
"1594578"	264.026828	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+K+HCOOH"	84.968628
"1419146"	294.058338	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+H+CF3COOH"	115.000138
"1151623"	152.076201	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+3ACN+2H"	125.094202
"1700082"	311.084885	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+NH4+CF3COOH"	132.026685
"1636831"	316.04028	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+Na+CF3COOH"	136.98208
"1586697"	332.01422	"C19569"	"3-Succinoylpyridine;4-Oxo-4-(pyridin-3-yl)butanoate"	"C9H9NO3"	"179.0582"	"M+K+CF3COOH"	152.95602
"807223"	722.0081	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M"	0
"980758"	702.98971	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-H2O-H"	-19.01839
"65719"	480.331457333333	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M-3H"	-3.021828
"514028"	721.000824	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M-3H"	-3.021828
"888550"	239.662090666667	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-3H"	-3.021828
"6031"	721.000824	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M-2H"	-2.014552
"446684"	1082.004874	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M-2H"	-2.014552
"826673"	359.996774	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-2H"	-2.014552
"80834"	1443.008924	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M-H"	-1.007276
"521853"	2165.017024	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M-H"	-1.007276
"899654"	721.000824	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-H"	-1.007276
"51842"	1460.035471	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M-2H+NH4"	16.019271
"491402"	2182.043571	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M-2H+NH4"	16.019271
"867382"	738.027371	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-2H+NH4"	16.019271
"33097"	1464.990866	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M-2H+Na"	20.974666
"476667"	2186.998966	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M-2H+Na"	20.974666
"850091"	742.982766	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-2H+Na"	20.974666
"1619992"	742.982766	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Na-2H"	20.974666
"106003"	738.989163	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M-H+Cl"	33.962126
"542282"	1099.993213	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M-H+Cl"	33.962126
"939078"	377.985113	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-H+Cl"	33.962126
"281524"	1478.985602	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+Cl"	34.969402
"674432"	2200.993702	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+Cl"	34.969402
"1286350"	756.977502	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Cl"	34.969402
"26110"	1480.964806	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M-2H+K"	36.948606
"463484"	2202.972906	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M-2H+K"	36.948606
"843475"	758.956706	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-2H+K"	36.948606
"1564776"	758.956706	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+K-2H"	36.948606
"955577"	767.006294	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-H+HCOOH"	44.998194
"373059"	1489.014401	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+HCOOH-H"	44.998201
"357674"	1503.030051	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+Hac-H"	59.013851
"1504320"	781.021951	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Hac-H"	59.013851
"969310"	788.988251	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-H+NaCOOH"	66.980151
"112389"	756.977502	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+2Cl"	69.938804
"553044"	1117.981552	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+2Cl"	69.938804
"1026216"	395.973452	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2Cl"	69.938804
"1244701"	800.926985	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Br"	78.918885
"1309343"	802.982972	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Cl+HCOOH"	80.974872
"1322464"	824.964929	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Cl+NaCOOH"	102.956829
"914615"	834.993686	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M-H+CF3COOH"	112.985586
"1296788"	870.970364	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Cl+CF3COOH"	148.962264
"1374949"	686.995424	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H-2H2O"	-35.012676
"1390260"	705.0054	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H-H2O"	-17.0027
"283149"	1445.023476	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+H"	1.007276
"676298"	2167.031576	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+H"	1.007276
"1351916"	723.015376	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H"	1.007276
"126059"	723.015376	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+2H"	2.014552
"571171"	1084.019426	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+2H"	2.014552
"1045437"	362.011326	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2H"	2.014552
"216618"	482.346009333333	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+3H"	3.021828
"657271"	723.015376	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+3H"	3.021828
"1168837"	241.676642666667	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+3H"	3.021828
"428099"	1462.050023	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+NH4"	18.033823
"788366"	2184.058123	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+NH4"	18.033823
"1685793"	740.041923	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+NH4"	18.033823
"332979"	731.5286495	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+H+NH4"	19.041099
"729045"	1092.5326995	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+H+NH4"	19.041099
"1482500"	370.5245995	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H+NH4"	19.041099
"397533"	1467.005418	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+Na"	22.989218
"764724"	2189.013518	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+Na"	22.989218
"1610635"	744.997318	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Na"	22.989218
"319578"	734.006347	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+H+Na"	23.996494
"710908"	1095.010397	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+H+Na"	23.996494
"1464728"	373.002297	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H+Na"	23.996494
"1055056"	249.003956666667	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2H+Na"	25.00377
"1258193"	755.041586	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+CH3OH+H"	33.033486
"380414"	1482.979358	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+K"	38.963158
"744692"	2204.987458	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+K"	38.963158
"1541275"	760.971258	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+K"	38.963158
"298937"	741.993317	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+H+K"	39.970434
"691519"	1102.997367	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+H+K"	39.970434
"1446512"	380.989267	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H+K"	39.970434
"237299"	1486.050026	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+ACN+H"	42.033826
"1209934"	764.041926	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+ACN+H"	42.033826
"1194629"	382.524601	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+ACN+2H"	43.041102
"188585"	1488.98736	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+2Na-H"	44.97116
"629735"	2210.99546	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+2Na-H"	44.97116
"1132149"	766.97926	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2Na-H"	44.97116
"176414"	744.997318	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+2Na"	45.978436
"612819"	1106.001368	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+2Na"	45.978436
"1115660"	383.993268	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2Na"	45.978436
"1398475"	256.331270666667	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H+2Na"	46.985712
"1430021"	769.020846	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H+HCOOH"	47.012746
"221902"	750.03034	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+3H2O+2H"	56.04448
"1510693"	783.07289	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+IsoProp+H"	61.06479
"411115"	752.984288	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+Na+K"	61.952376
"773931"	1113.988338	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+Na+K"	61.952376
"1666979"	391.980238	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Na+K"	61.952376
"253134"	1508.031968	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+ACN+Na"	64.015768
"1227305"	786.023868	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+ACN+Na"	64.015768
"1716191"	786.047393	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+NH4+HCOOH"	64.039293
"1181913"	263.658584666667	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+3Na"	68.967654
"1654723"	791.002788	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Na+HCOOH"	68.994688
"157571"	1520.93524	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+2K-H"	76.91904
"597862"	2242.94334	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+2K-H"	76.91904
"1088573"	798.92714	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2K-H"	76.91904
"145757"	760.971258	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"2M+2K"	77.926316
"588600"	1121.975308	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"3M+2K"	77.926316
"1073111"	399.967208	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2K"	77.926316
"1105228"	800.941692	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2K+H"	78.933592
"1339427"	801.029307	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+DMSO+H"	79.021207
"1015611"	805.068476	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2ACN+H"	83.060376
"1534103"	806.062108	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+IsoProp+Na+H"	84.054008
"1000186"	403.037876	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+2ACN+2H"	84.067652
"1594688"	806.976728	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+K+HCOOH"	84.968628
"1419256"	837.008238	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+H+CF3COOH"	115.000138
"1151733"	423.551151	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+3ACN+2H"	125.094202
"1700192"	854.034785	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+NH4+CF3COOH"	132.026685
"1636941"	858.99018	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+Na+CF3COOH"	136.98208
"1586807"	874.96412	"C19570"	"Ethyl tellurac"	"(C5H10NS2)4Te"	"722.0081"	"M+K+CF3COOH"	152.95602
"810616"	59.9668	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M"	0
"976494"	40.94841	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-H2O-H"	-19.01839
"68017"	38.9705906666667	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M-3H"	-3.021828
"517419"	58.959524	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M-3H"	-3.021828
"888661"	18.9816573333333	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-3H"	-3.021828
"7235"	58.959524	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M-2H"	-2.014552
"448981"	88.942924	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M-2H"	-2.014552
"821318"	28.976124	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-2H"	-2.014552
"83496"	118.926324	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M-H"	-1.007276
"524149"	178.893124	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M-H"	-1.007276
"898670"	58.959524	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-H"	-1.007276
"51951"	135.952871	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M-2H+NH4"	16.019271
"493699"	195.919671	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M-2H+NH4"	16.019271
"875511"	75.986071	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-2H+NH4"	16.019271
"35030"	140.908266	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M-2H+Na"	20.974666
"472274"	200.875066	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M-2H+Na"	20.974666
"849838"	80.941466	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-2H+Na"	20.974666
"1626303"	80.941466	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Na-2H"	20.974666
"107940"	76.947863	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M-H+Cl"	33.962126
"543489"	106.931263	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M-H+Cl"	33.962126
"939190"	46.964463	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-H+Cl"	33.962126
"277746"	154.903002	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+Cl"	34.969402
"671261"	214.869802	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+Cl"	34.969402
"1281478"	94.936202	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Cl"	34.969402
"22942"	156.882206	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M-2H+K"	36.948606
"463595"	216.849006	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M-2H+K"	36.948606
"838117"	96.915406	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-2H+K"	36.948606
"1559420"	96.915406	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+K-2H"	36.948606
"952769"	104.964994	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-H+HCOOH"	44.998194
"374262"	164.931801	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+HCOOH-H"	44.998201
"352681"	178.947451	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+Hac-H"	59.013851
"1496047"	118.980651	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Hac-H"	59.013851
"959340"	126.946951	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-H+NaCOOH"	66.980151
"110083"	94.936202	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+2Cl"	69.938804
"553153"	124.919602	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+2Cl"	69.938804
"1024139"	64.952802	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2Cl"	69.938804
"1252473"	138.885685	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Br"	78.918885
"1312734"	140.941672	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Cl+HCOOH"	80.974872
"1323669"	162.923629	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Cl+NaCOOH"	102.956829
"914724"	172.952386	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M-H+CF3COOH"	112.985586
"1295807"	208.929064	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Cl+CF3COOH"	148.962264
"1373969"	24.954124	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H-2H2O"	-35.012676
"1394754"	42.9641	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H-H2O"	-17.0027
"286785"	120.940876	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+H"	1.007276
"682488"	180.907676	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+H"	1.007276
"1353728"	60.974076	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H"	1.007276
"127709"	60.974076	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+2H"	2.014552
"567632"	90.957476	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+2H"	2.014552
"1041173"	30.990676	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2H"	2.014552
"215635"	40.9851426666667	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+3H"	3.021828
"657383"	60.974076	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+3H"	3.021828
"1172229"	20.9962093333333	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+3H"	3.021828
"428211"	137.967423	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+NH4"	18.033823
"791396"	197.934223	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+NH4"	18.033823
"1685539"	78.000623	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+NH4"	18.033823
"335641"	69.4873495	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+H+NH4"	19.041099
"726604"	99.4707495	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+H+NH4"	19.041099
"1482975"	39.5039495	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H+NH4"	19.041099
"398373"	142.922818	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+Na"	22.989218
"767021"	202.889618	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+Na"	22.989218
"1609654"	82.956018	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Na"	22.989218
"316411"	71.965047	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+H+Na"	23.996494
"712113"	101.948447	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+H+Na"	23.996494
"1465204"	41.981647	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H+Na"	23.996494
"1056262"	28.3235233333333	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2H+Na"	25.00377
"1263044"	93.000286	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+CH3OH+H"	33.033486
"384901"	158.896758	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+K"	38.963158
"746990"	218.863558	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+K"	38.963158
"1543574"	98.929958	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+K"	38.963158
"300019"	79.952017	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+H+K"	39.970434
"691831"	109.935417	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+H+K"	39.970434
"1447357"	49.968617	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H+K"	39.970434
"238876"	161.967426	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+ACN+H"	42.033826
"1210043"	102.000626	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+ACN+H"	42.033826
"1195472"	51.503951	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+ACN+2H"	43.041102
"188989"	164.90476	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+2Na-H"	44.97116
"630457"	224.87156	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+2Na-H"	44.97116
"1132624"	104.93796	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2Na-H"	44.97116
"174214"	82.956018	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+2Na"	45.978436
"614259"	112.939418	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+2Na"	45.978436
"1116184"	52.972618	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2Na"	45.978436
"1399227"	35.6508373333333	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H+2Na"	46.985712
"1430485"	106.979546	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H+HCOOH"	47.012746
"222376"	87.98904	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+3H2O+2H"	56.04448
"1518828"	121.03159	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+IsoProp+H"	61.06479
"412319"	90.942988	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+Na+K"	61.952376
"774041"	120.926388	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+Na+K"	61.952376
"1669645"	60.959588	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Na+K"	61.952376
"254706"	183.949368	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+ACN+Na"	64.015768
"1229604"	123.982568	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+ACN+Na"	64.015768
"1716668"	124.006093	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+NH4+HCOOH"	64.039293
"1183481"	42.9781513333333	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+3Na"	68.967654
"1652280"	128.961488	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Na+HCOOH"	68.994688
"159504"	196.85264	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+2K-H"	76.91904
"604900"	256.81944	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+2K-H"	76.91904
"1091600"	136.88584	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2K-H"	76.91904
"148056"	98.929958	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"2M+2K"	77.926316
"583968"	128.913358	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"3M+2K"	77.926316
"1077963"	68.946558	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2K"	77.926316
"1108620"	138.900392	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2K+H"	78.933592
"1341724"	138.988007	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+DMSO+H"	79.021207
"1015358"	143.027176	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2ACN+H"	83.060376
"1531662"	144.020808	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+IsoProp+Na+H"	84.054008
"995923"	72.017226	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+2ACN+2H"	84.067652
"1590427"	144.935428	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+K+HCOOH"	84.968628
"1418273"	174.966938	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+H+CF3COOH"	115.000138
"1150749"	92.530501	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+3ACN+2H"	125.094202
"1709057"	191.993485	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+NH4+CF3COOH"	132.026685
"1642520"	196.94888	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+Na+CF3COOH"	136.98208
"1573796"	212.92282	"C19572"	"Silica;Silica amorphous"	"SiO2"	"59.9668"	"M+K+CF3COOH"	152.95602
"804165"	209.1164	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M"	0
"977700"	190.09801	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-H2O-H"	-19.01839
"64847"	138.403657333333	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M-3H"	-3.021828
"507688"	208.109124	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M-3H"	-3.021828
"885490"	68.6981906666667	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-3H"	-3.021828
"9531"	208.109124	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M-2H"	-2.014552
"446905"	312.667324	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M-2H"	-2.014552
"827624"	103.550924	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-2H"	-2.014552
"86886"	417.225524	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M-H"	-1.007276
"527539"	626.341924	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M-H"	-1.007276
"903154"	208.109124	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-H"	-1.007276
"53157"	434.252071	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M-2H+NH4"	16.019271
"489559"	643.368471	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M-2H+NH4"	16.019271
"870519"	225.135671	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-2H+NH4"	16.019271
"33191"	439.207466	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M-2H+Na"	20.974666
"472878"	648.323866	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M-2H+Na"	20.974666
"862349"	230.091066	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-2H+Na"	20.974666
"1633346"	230.091066	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Na-2H"	20.974666
"104040"	226.097463	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M-H+Cl"	33.962126
"546881"	330.655663	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M-H+Cl"	33.962126
"940396"	121.539263	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-H+Cl"	33.962126
"276765"	453.202202	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+Cl"	34.969402
"670282"	662.318602	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+Cl"	34.969402
"1278312"	244.085802	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Cl"	34.969402
"19774"	455.181406	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M-2H+K"	36.948606
"462613"	664.297806	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M-2H+K"	36.948606
"839319"	246.065006	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-2H+K"	36.948606
"1558435"	246.065006	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+K-2H"	36.948606
"950691"	254.114594	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-H+HCOOH"	44.998194
"363804"	463.231001	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+HCOOH-H"	44.998201
"346308"	477.246651	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+Hac-H"	59.013851
"1493232"	268.130251	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Hac-H"	59.013851
"959818"	276.096551	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-H+NaCOOH"	66.980151
"111882"	244.085802	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+2Cl"	69.938804
"552537"	348.644002	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+2Cl"	69.938804
"1033008"	139.527602	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2Cl"	69.938804
"1251491"	288.035285	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Br"	78.918885
"1307378"	290.091272	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Cl+HCOOH"	80.974872
"1325965"	312.073229	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Cl+NaCOOH"	102.956829
"912284"	322.101986	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M-H+CF3COOH"	112.985586
"1288583"	358.078664	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Cl+CF3COOH"	148.962264
"1378464"	174.103724	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H-2H2O"	-35.012676
"1394865"	192.1137	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H-H2O"	-17.0027
"296742"	419.240076	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+H"	1.007276
"685880"	628.356476	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+H"	1.007276
"1352387"	210.123676	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H"	1.007276
"126730"	210.123676	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+2H"	2.014552
"566285"	314.681876	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+2H"	2.014552
"1039459"	105.565476	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2H"	2.014552
"206267"	140.418209333333	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+3H"	3.021828
"645461"	210.123676	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+3H"	3.021828
"1162981"	70.7127426666667	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+3H"	3.021828
"428322"	436.266623	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+NH4"	18.033823
"792234"	645.383023	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+NH4"	18.033823
"1689659"	227.150223	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+NH4"	18.033823
"335749"	218.6369495	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+H+NH4"	19.041099
"730358"	323.1951495	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+H+NH4"	19.041099
"1487457"	114.0787495	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H+NH4"	19.041099
"399577"	441.222018	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+Na"	22.989218
"755470"	650.338418	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+Na"	22.989218
"1603447"	232.105618	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Na"	22.989218
"315184"	221.114647	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+H+Na"	23.996494
"710042"	325.672847	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+H+Na"	23.996494
"1463128"	116.556447	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H+Na"	23.996494
"1055645"	78.0400566666667	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2H+Na"	25.00377
"1259872"	242.149886	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+CH3OH+H"	33.033486
"382822"	457.195958	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+K"	38.963158
"739198"	666.312358	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+K"	38.963158
"1540524"	248.079558	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+K"	38.963158
"300859"	229.101617	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+H+K"	39.970434
"694374"	333.659817	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+H+K"	39.970434
"1449290"	124.543417	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H+K"	39.970434
"236562"	460.266626	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+ACN+H"	42.033826
"1210842"	251.150226	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+ACN+H"	42.033826
"1197408"	126.078751	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+ACN+2H"	43.041102
"196111"	463.20396	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+2Na-H"	44.97116
"630568"	672.32036	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+2Na-H"	44.97116
"1132492"	254.08756	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2Na-H"	44.97116
"175539"	232.105618	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+2Na"	45.978436
"616192"	336.663818	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+2Na"	45.978436
"1118606"	127.547418	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2Na"	45.978436
"1400306"	85.3673706666667	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H+2Na"	46.985712
"1431087"	256.129146	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H+HCOOH"	47.012746
"222857"	237.13864	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+3H2O+2H"	56.04448
"1511284"	270.18119	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+IsoProp+H"	61.06479
"410970"	240.092588	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+Na+K"	61.952376
"773057"	344.650788	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+Na+K"	61.952376
"1668294"	135.534388	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Na+K"	61.952376
"252994"	482.248568	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+ACN+Na"	64.015768
"1232992"	273.132168	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+ACN+Na"	64.015768
"1715685"	273.155693	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+NH4+HCOOH"	64.039293
"1179700"	92.6946846666667	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+3Na"	68.967654
"1652751"	278.111088	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Na+HCOOH"	68.994688
"159614"	495.15184	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+2K-H"	76.91904
"598202"	704.26824	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+2K-H"	76.91904
"1086972"	286.03544	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2K-H"	76.91904
"142695"	248.079558	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"2M+2K"	77.926316
"581764"	352.637758	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"3M+2K"	77.926316
"1068832"	143.521358	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2K"	77.926316
"1101436"	288.049992	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2K+H"	78.933592
"1339644"	288.137607	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+DMSO+H"	79.021207
"1006476"	292.176776	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2ACN+H"	83.060376
"1526301"	293.170408	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+IsoProp+Na+H"	84.054008
"991779"	146.592026	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+2ACN+2H"	84.067652
"1587981"	294.085028	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+K+HCOOH"	84.968628
"1414856"	324.116538	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+H+CF3COOH"	115.000138
"1157430"	167.105301	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+3ACN+2H"	125.094202
"1701512"	341.143085	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+NH4+CF3COOH"	132.026685
"1639350"	346.09848	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+Na+CF3COOH"	136.98208
"1573907"	362.07242	"C19574"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;NNAL"	"C10H15N3O2"	"209.1164"	"M+K+CF3COOH"	152.95602
"802090"	225.1113	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M"	0
"978902"	206.09291	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-H2O-H"	-19.01839
"64957"	149.066924	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M-3H"	-3.021828
"505610"	224.104024	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M-3H"	-3.021828
"882319"	74.029824	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-3H"	-3.021828
"4173"	224.104024	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M-2H"	-2.014552
"447015"	336.659674	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M-2H"	-2.014552
"824818"	111.548374	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-2H"	-2.014552
"86996"	449.215324	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M-H"	-1.007276
"527649"	674.326624	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M-H"	-1.007276
"903264"	224.104024	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-H"	-1.007276
"51080"	466.241871	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M-2H+NH4"	16.019271
"488935"	691.353171	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M-2H+NH4"	16.019271
"879507"	241.130571	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-2H+NH4"	16.019271
"46321"	471.197266	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M-2H+Na"	20.974666
"483578"	696.308566	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M-2H+Na"	20.974666
"861378"	246.085966	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-2H+Na"	20.974666
"1629817"	246.085966	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Na-2H"	20.974666
"108165"	242.092363	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M-H+Cl"	33.962126
"548089"	354.648013	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M-H+Cl"	33.962126
"939783"	129.536713	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-H+Cl"	33.962126
"276881"	485.192002	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+Cl"	34.969402
"663833"	710.303302	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+Cl"	34.969402
"1277328"	260.080702	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Cl"	34.969402
"18791"	487.171206	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M-2H+K"	36.948606
"459448"	712.282506	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M-2H+K"	36.948606
"838342"	262.059906	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-2H+K"	36.948606
"1557456"	262.059906	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+K-2H"	36.948606
"943630"	270.109494	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-H+HCOOH"	44.998194
"367936"	495.220801	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+HCOOH-H"	44.998201
"358991"	509.236451	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+Hac-H"	59.013851
"1505393"	284.125151	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Hac-H"	59.013851
"969287"	292.091451	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-H+NaCOOH"	66.980151
"124274"	260.080702	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+2Cl"	69.938804
"556664"	372.636352	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+2Cl"	69.938804
"1027649"	147.525052	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2Cl"	69.938804
"1245041"	304.030185	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Br"	78.918885
"1307123"	306.086172	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Cl+HCOOH"	80.974872
"1320973"	328.068129	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Cl+NaCOOH"	102.956829
"926629"	338.096886	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M-H+CF3COOH"	112.985586
"1302237"	374.073564	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Cl+CF3COOH"	148.962264
"1382608"	190.098624	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H-2H2O"	-35.012676
"1394979"	208.1086	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H-H2O"	-17.0027
"290291"	451.229876	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+H"	1.007276
"685994"	676.341176	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+H"	1.007276
"1362341"	226.118576	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H"	1.007276
"128667"	226.118576	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+2H"	2.014552
"571509"	338.674226	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+2H"	2.014552
"1038116"	113.562926	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2H"	2.014552
"206018"	151.081476	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+3H"	3.021828
"647766"	226.118576	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+3H"	3.021828
"1163461"	76.044376	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+3H"	3.021828
"426000"	468.256423	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+NH4"	18.033823
"786631"	693.367723	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+NH4"	18.033823
"1681332"	243.145123	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+NH4"	18.033823
"330098"	234.6318495	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+H+NH4"	19.041099
"723047"	347.1874995	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+H+NH4"	19.041099
"1481015"	122.0761995	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H+NH4"	19.041099
"398605"	473.211818	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+Na"	22.989218
"758505"	698.323118	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+Na"	22.989218
"1606605"	248.100518	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Na"	22.989218
"316640"	237.109547	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+H+Na"	23.996494
"707723"	349.665197	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+H+Na"	23.996494
"1461783"	124.553897	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H+Na"	23.996494
"1053083"	83.37169	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2H+Na"	25.00377
"1257673"	258.144786	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+CH3OH+H"	33.033486
"384035"	489.185758	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+K"	38.963158
"743938"	714.297058	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+K"	38.963158
"1541371"	264.074458	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+K"	38.963158
"299638"	245.096517	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+H+K"	39.970434
"699965"	357.652167	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+H+K"	39.970434
"1455971"	132.540867	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H+K"	39.970434
"245670"	492.256426	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+ACN+H"	42.033826
"1217286"	267.145126	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+ACN+H"	42.033826
"1202262"	134.076201	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+ACN+2H"	43.041102
"191850"	495.19376	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+2Na-H"	44.97116
"630191"	720.30506	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+2Na-H"	44.97116
"1132844"	270.08246	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2Na-H"	44.97116
"175651"	248.100518	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+2Na"	45.978436
"615939"	360.656168	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+2Na"	45.978436
"1116278"	135.544868	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2Na"	45.978436
"1403712"	90.699004	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H+2Na"	46.985712
"1434004"	272.124046	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H+HCOOH"	47.012746
"224426"	253.13354	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+3H2O+2H"	56.04448
"1511392"	286.17609	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+IsoProp+H"	61.06479
"410106"	256.087488	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+Na+K"	61.952376
"772073"	368.643138	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+Na+K"	61.952376
"1666578"	143.531838	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Na+K"	61.952376
"251598"	514.238368	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+ACN+Na"	64.015768
"1226544"	289.127068	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+ACN+Na"	64.015768
"1714701"	289.150593	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+NH4+HCOOH"	64.039293
"1180784"	98.026318	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+3Na"	68.967654
"1650915"	294.105988	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Na+HCOOH"	68.994688
"168484"	527.14164	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+2K-H"	76.91904
"609136"	752.25294	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+2K-H"	76.91904
"1090368"	302.03034	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2K-H"	76.91904
"143535"	264.074458	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"2M+2K"	77.926316
"582973"	376.630108	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"3M+2K"	77.926316
"1071256"	151.518808	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2K"	77.926316
"1102282"	304.044892	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2K+H"	78.933592
"1336350"	304.132507	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+DMSO+H"	79.021207
"1006579"	308.171676	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2ACN+H"	83.060376
"1524712"	309.165308	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+IsoProp+Na+H"	84.054008
"993962"	154.589476	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+2ACN+2H"	84.067652
"1589196"	310.079928	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+K+HCOOH"	84.968628
"1415586"	340.111438	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+H+CF3COOH"	115.000138
"1147697"	175.102751	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+3ACN+2H"	125.094202
"1698707"	357.137985	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+NH4+CF3COOH"	132.026685
"1642743"	362.09338	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+Na+CF3COOH"	136.98208
"1580581"	378.06732	"C19577"	"1-(Methylnitrosoamino)-4-(3-pyridinyl)-14-butanediol"	"C10H15N3O3"	"225.1113"	"M+K+CF3COOH"	152.95602
"807667"	165.079	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M"	0
"977919"	146.06061	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"65065"	109.045390666667	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"505717"	164.071724	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"882184"	54.0190573333333	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"4647"	164.071724	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"447125"	246.611224	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"824928"	81.532224	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"87106"	329.150724	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"524479"	494.229724	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"905561"	164.071724	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"54469"	346.177271	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"489288"	511.256271	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"878279"	181.098271	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"46962"	351.132666	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"482595"	516.211666	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"860394"	186.053666	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1628836"	186.053666	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"106454"	182.060063	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"549050"	264.599563	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"939529"	99.520563	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"276988"	365.127402	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"665036"	530.206402	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1279625"	200.048402	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"21087"	367.106606	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"462838"	532.185606	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"837359"	202.027606	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1560846"	202.027606	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"943381"	210.077194	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"371326"	375.156201	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"358981"	389.171851	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1506718"	224.092851	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"969397"	232.059151	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"125655"	200.048402	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"557867"	282.587902	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1026666"	117.508902	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1246244"	243.997885	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1306505"	246.053872	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1322176"	268.035829	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"924551"	278.064586	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1301619"	314.041264	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1379783"	130.066324	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1394725"	148.0763	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"292588"	331.165276	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"687563"	496.244276	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1360266"	166.086276	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"130965"	166.086276	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"574899"	248.625776	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1041144"	83.546776	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"206486"	111.059942666667	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"647876"	166.086276	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1163449"	56.0336093333333	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"425988"	348.191823	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"786498"	513.270823	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1682949"	183.112823	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"331957"	174.5995495	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"723282"	257.1390495	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1478562"	92.0600495	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"403088"	353.147218	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"762989"	518.226218	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1606716"	188.068218	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"316750"	177.077247	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"709172"	259.616747	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1462136"	94.537747	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1053682"	63.3609233333333	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1257583"	198.112486	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"381958"	369.121158	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"745142"	534.200158	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1542452"	204.042158	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"299262"	185.064217	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"701534"	267.603717	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1454988"	102.524717	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"247603"	372.191826	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1217396"	207.112826	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1202372"	104.060051	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"193053"	375.12916	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"632610"	540.20816	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1135385"	210.05016	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"175152"	188.068218	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"616413"	270.607718	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1116637"	105.528718	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1404915"	70.6882373333333	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1437031"	212.091746	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"225629"	193.10124	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1512596"	226.14379	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"411553"	196.055188	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"774371"	278.594688	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1668877"	113.515688	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"252966"	394.173768	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1227019"	229.094768	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1713838"	229.118293	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1180165"	78.0155513333333	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1651272"	234.073688	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"169688"	407.07704	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"608153"	572.15604	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1090478"	241.99804	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"143280"	204.042158	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"583813"	286.581658	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1072459"	121.502658	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1102634"	244.012592	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1335973"	244.100207	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1007177"	248.139376	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1526649"	249.133008	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"999539"	124.573326	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1588576"	250.047628	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1416789"	280.079138	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1148171"	145.086601	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1697721"	297.105685	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1642853"	302.06108	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1580691"	318.03502	"C19578"	"5-(3-Pyridyl)-2-hydroxytetrahydrofuran"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"807777"	181.0739	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M"	0
"978029"	162.05551	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"63353"	119.708657333333	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"503087"	180.066624	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"881446"	59.3506906666667	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"6580"	180.066624	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"447235"	270.603574	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"828318"	89.529674	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"91955"	361.140524	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"530785"	542.214424	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"900205"	180.066624	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"52392"	378.167071	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"488670"	559.240971	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"878146"	197.093171	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"47051"	383.122466	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"486713"	564.196366	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"861596"	202.048566	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1633845"	202.048566	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"109318"	198.054963	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"548917"	288.591913	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"940732"	107.518013	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"277098"	397.117202	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"665146"	578.191102	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1278642"	216.043302	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"19011"	399.096406	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"462948"	580.170306	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"837469"	218.022506	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1560956"	218.022506	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"943006"	226.072094	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"372895"	407.146001	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"360671"	421.161651	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1505613"	240.087751	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"969143"	248.054051	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"123886"	216.043302	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"564053"	306.580252	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1028963"	125.506352	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1244168"	259.992785	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1305886"	262.048772	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1320831"	284.030729	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"918456"	294.059486	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1299538"	330.036164	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1374420"	146.061224	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1396660"	164.0712	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"295252"	363.155076	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"690955"	544.228976	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1362198"	182.081176	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"131075"	182.081176	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"575009"	272.618126	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1041619"	91.544226	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"206959"	121.723209333333	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"647988"	182.081176	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1165748"	61.3652426666667	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"425010"	380.181623	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"786367"	561.255523	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1683063"	199.107723	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"332798"	190.5944495	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"723513"	281.1313995	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1479037"	100.0574995	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"394803"	385.137018	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"763099"	566.210918	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1611198"	204.063118	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"315036"	193.072147	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"709282"	283.609097	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1461516"	102.535197	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1053792"	68.6925566666667	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1257293"	214.107386	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"382068"	401.110958	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"746345"	582.184858	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1541106"	220.037058	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"299007"	201.059117	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"699092"	291.596067	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1455098"	110.522167	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"246620"	404.181626	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1217506"	223.107726	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1202482"	112.057501	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"192070"	407.11896	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"631993"	588.19286	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1136591"	226.04506	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"174048"	204.063118	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"614701"	294.600068	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1116747"	113.526168	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1402110"	76.0198706666667	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1436048"	228.086646	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"223553"	209.09614	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1512706"	242.13869	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"411299"	212.050088	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"772294"	302.587038	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1666802"	121.513138	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"251741"	426.163568	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1226641"	245.089668	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1713704"	245.113193	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1179058"	83.3471846666667	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1653084"	250.068588	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"169798"	439.06684	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"602795"	620.14074	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1086334"	257.99294	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"143269"	220.037058	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"582829"	310.574008	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1071476"	129.500108	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1102866"	260.007492	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1336449"	260.095107	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1006315"	264.134276	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1527366"	265.127908	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"997461"	132.570776	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1589052"	266.042528	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1417628"	296.074038	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1148038"	153.084051	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1698563"	313.100585	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1642963"	318.05598	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1580801"	334.02992	"C19579"	"gamma-Hydroxy-3-pyridinebutanoate"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"811168"	225.1113	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M"	0
"979232"	206.09291	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-H2O-H"	-19.01839
"64192"	149.066924	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M-3H"	-3.021828
"505210"	224.104024	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M-3H"	-3.021828
"881555"	74.029824	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-3H"	-3.021828
"4503"	224.104024	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M-2H"	-2.014552
"447345"	336.659674	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M-2H"	-2.014552
"828428"	111.548374	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-2H"	-2.014552
"92796"	449.215324	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M-H"	-1.007276
"530895"	674.326624	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M-H"	-1.007276
"902500"	224.104024	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-H"	-1.007276
"53595"	466.241871	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M-2H+NH4"	16.019271
"490966"	691.353171	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M-2H+NH4"	16.019271
"873151"	241.130571	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-2H+NH4"	16.019271
"45799"	471.197266	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M-2H+Na"	20.974666
"486749"	696.308566	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M-2H+Na"	20.974666
"863858"	246.085966	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-2H+Na"	20.974666
"1634110"	246.085966	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Na-2H"	20.974666
"109106"	242.092363	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M-H+Cl"	33.962126
"546962"	354.648013	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M-H+Cl"	33.962126
"938651"	129.536713	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-H+Cl"	33.962126
"276115"	485.192002	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+Cl"	34.969402
"664163"	710.303302	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+Cl"	34.969402
"1275472"	260.080702	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Cl"	34.969402
"19121"	487.171206	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M-2H+K"	36.948606
"459778"	712.282506	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M-2H+K"	36.948606
"837579"	262.059906	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-2H+K"	36.948606
"1561066"	262.059906	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+K-2H"	36.948606
"942950"	270.109494	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-H+HCOOH"	44.998194
"374098"	495.220801	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+HCOOH-H"	44.998201
"358350"	509.236451	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+Hac-H"	59.013851
"1506452"	284.125151	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Hac-H"	59.013851
"969617"	292.091451	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-H+NaCOOH"	66.980151
"124971"	260.080702	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+2Cl"	69.938804
"562462"	372.636352	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+2Cl"	69.938804
"1031261"	147.525052	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2Cl"	69.938804
"1243549"	304.030185	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Br"	78.918885
"1306725"	306.086172	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Cl+HCOOH"	80.974872
"1324223"	328.068129	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Cl+NaCOOH"	102.956829
"918930"	338.096886	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M-H+CF3COOH"	112.985586
"1292357"	374.073564	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Cl+CF3COOH"	148.962264
"1377448"	190.098624	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H-2H2O"	-35.012676
"1398455"	208.1086	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H-H2O"	-17.0027
"296090"	451.229876	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+H"	1.007276
"691065"	676.341176	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+H"	1.007276
"1362672"	226.118576	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H"	1.007276
"131185"	226.118576	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+2H"	2.014552
"575119"	338.674226	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+2H"	2.014552
"1040636"	113.562926	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2H"	2.014552
"205370"	151.081476	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+3H"	3.021828
"648098"	226.118576	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+3H"	3.021828
"1166588"	76.044376	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+3H"	3.021828
"426579"	468.256423	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+NH4"	18.033823
"788301"	693.367723	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+NH4"	18.033823
"1683536"	243.145123	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+NH4"	18.033823
"332177"	234.6318495	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+H+NH4"	19.041099
"723864"	347.1874995	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+H+NH4"	19.041099
"1480239"	122.0761995	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H+NH4"	19.041099
"397099"	473.211818	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+Na"	22.989218
"762115"	698.323118	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+Na"	22.989218
"1612401"	248.100518	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Na"	22.989218
"316240"	237.109547	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+H+Na"	23.996494
"709392"	349.665197	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+H+Na"	23.996494
"1465395"	124.553897	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H+Na"	23.996494
"1057547"	83.37169	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2H+Na"	25.00377
"1261412"	258.144786	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+CH3OH+H"	33.033486
"378899"	489.185758	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+K"	38.963158
"744268"	714.297058	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+K"	38.963158
"1541945"	264.074458	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+K"	38.963158
"299968"	245.096517	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+H+K"	39.970434
"695918"	357.652167	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+H+K"	39.970434
"1456301"	132.540867	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H+K"	39.970434
"248552"	492.256426	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+ACN+H"	42.033826
"1217616"	267.145126	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+ACN+H"	42.033826
"1203684"	134.076201	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+ACN+2H"	43.041102
"193273"	495.19376	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+2Na-H"	44.97116
"633196"	720.30506	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+2Na-H"	44.97116
"1135242"	270.08246	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2Na-H"	44.97116
"173468"	248.100518	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+2Na"	45.978436
"616635"	360.656168	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+2Na"	45.978436
"1118315"	135.544868	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2Na"	45.978436
"1406228"	90.699004	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H+2Na"	46.985712
"1437248"	272.124046	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H+HCOOH"	47.012746
"225850"	253.13354	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+3H2O+2H"	56.04448
"1515004"	286.17609	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+IsoProp+H"	61.06479
"412503"	256.087488	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+Na+K"	61.952376
"775684"	368.643138	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+Na+K"	61.952376
"1669828"	143.531838	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Na+K"	61.952376
"254158"	514.238368	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+ACN+Na"	64.015768
"1226509"	289.127068	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+ACN+Na"	64.015768
"1713813"	289.150593	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+NH4+HCOOH"	64.039293
"1179655"	98.026318	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+3Na"	68.967654
"1651125"	294.105988	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Na+HCOOH"	68.994688
"170273"	527.14164	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+2K-H"	76.91904
"602905"	752.25294	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+2K-H"	76.91904
"1088509"	302.03034	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2K-H"	76.91904
"141511"	264.074458	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"2M+2K"	77.926316
"581839"	376.630108	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"3M+2K"	77.926316
"1069640"	151.518808	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2K"	77.926316
"1105892"	304.044892	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2K+H"	78.933592
"1336075"	304.132507	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+DMSO+H"	79.021207
"1006426"	308.171676	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2ACN+H"	83.060376
"1526019"	309.165308	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+IsoProp+Na+H"	84.054008
"995385"	154.589476	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+2ACN+2H"	84.067652
"1592080"	310.079928	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+K+HCOOH"	84.968628
"1416645"	340.111438	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+H+CF3COOH"	115.000138
"1148026"	175.102751	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+3ACN+2H"	125.094202
"1697942"	357.137985	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+NH4+CF3COOH"	132.026685
"1646353"	362.09338	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+Na+CF3COOH"	136.98208
"1580911"	378.06732	"C19580"	"alpha-3-(Hydroxymethyl)nitrosoaminopropyl-3-pyridinemethanol"	"C10H15N3O3"	"225.1113"	"M+K+CF3COOH"	152.95602
"802530"	195.1008	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M"	0
"976062"	176.08241	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-H2O-H"	-19.01839
"63573"	129.059924	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M-3H"	-3.021828
"504344"	194.093524	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M-3H"	-3.021828
"882754"	64.026324	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-3H"	-3.021828
"4613"	194.093524	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M-2H"	-2.014552
"448547"	291.643924	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M-2H"	-2.014552
"825258"	96.543124	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-2H"	-2.014552
"87435"	389.194324	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M-H"	-1.007276
"531369"	584.295124	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M-H"	-1.007276
"903704"	194.093524	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-H"	-1.007276
"58077"	406.220871	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M-2H+NH4"	16.019271
"491076"	601.321671	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M-2H+NH4"	16.019271
"867786"	211.120071	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-2H+NH4"	16.019271
"34592"	411.176266	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M-2H+Na"	20.974666
"476347"	606.277066	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M-2H+Na"	20.974666
"860349"	216.075466	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-2H+Na"	20.974666
"1630247"	216.075466	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Na-2H"	20.974666
"97297"	212.081863	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M-H+Cl"	33.962126
"549624"	309.632263	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M-H+Cl"	33.962126
"936574"	114.531463	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-H+Cl"	33.962126
"275132"	425.171002	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+Cl"	34.969402
"663180"	620.271802	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+Cl"	34.969402
"1275582"	230.070202	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Cl"	34.969402
"19231"	427.150206	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M-2H+K"	36.948606
"463168"	622.251006	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M-2H+K"	36.948606
"837689"	232.049406	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-2H+K"	36.948606
"1561176"	232.049406	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+K-2H"	36.948606
"942945"	240.098994	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-H+HCOOH"	44.998194
"365457"	435.199801	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+HCOOH-H"	44.998201
"358093"	449.215451	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+Hac-H"	59.013851
"1501092"	254.114651	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Hac-H"	59.013851
"970092"	262.080951	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-H+NaCOOH"	66.980151
"124476"	230.070202	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+2Cl"	69.938804
"560385"	327.620602	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+2Cl"	69.938804
"1029184"	132.519802	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2Cl"	69.938804
"1244752"	274.019685	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Br"	78.918885
"1307928"	276.075672	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Cl+HCOOH"	80.974872
"1322144"	298.057629	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Cl+NaCOOH"	102.956829
"918676"	308.086386	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M-H+CF3COOH"	112.985586
"1289424"	344.063064	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Cl+CF3COOH"	148.962264
"1380837"	160.088124	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H-2H2O"	-35.012676
"1397490"	178.0981	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H-H2O"	-17.0027
"294012"	391.208876	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+H"	1.007276
"688624"	586.309676	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+H"	1.007276
"1363511"	196.108076	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H"	1.007276
"129472"	196.108076	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+2H"	2.014552
"571949"	293.658476	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+2H"	2.014552
"1037583"	98.557676	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2H"	2.014552
"204790"	131.074476	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+3H"	3.021828
"645654"	196.108076	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+3H"	3.021828
"1163538"	66.040876	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+3H"	3.021828
"425714"	408.235423	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+NH4"	18.033823
"786339"	603.336223	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+NH4"	18.033823
"1681698"	213.134623	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+NH4"	18.033823
"330825"	204.6213495	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+H+NH4"	19.041099
"723002"	302.1717495	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+H+NH4"	19.041099
"1478161"	107.0709495	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H+NH4"	19.041099
"395385"	413.190818	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+Na"	22.989218
"760038"	608.291618	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+Na"	22.989218
"1610324"	218.090018	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Na"	22.989218
"316106"	207.099047	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+H+Na"	23.996494
"710595"	304.649447	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+H+Na"	23.996494
"1463560"	109.548647	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H+Na"	23.996494
"1056564"	73.36819	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2H+Na"	25.00377
"1260063"	228.134286	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+CH3OH+H"	33.033486
"384476"	429.164758	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+K"	38.963158
"749845"	624.265558	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+K"	38.963158
"1541325"	234.063958	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+K"	38.963158
"299349"	215.086017	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+H+K"	39.970434
"694935"	312.636417	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+H+K"	39.970434
"1454224"	117.535617	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H+K"	39.970434
"247569"	432.235426	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+ACN+H"	42.033826
"1217726"	237.134626	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+ACN+H"	42.033826
"1202701"	119.070951	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+ACN+2H"	43.041102
"192290"	435.17276	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+2Na-H"	44.97116
"632942"	630.27356	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+2Na-H"	44.97116
"1135350"	240.07196	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2Na-H"	44.97116
"176454"	218.090018	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+2Na"	45.978436
"618932"	315.640418	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+2Na"	45.978436
"1119155"	120.539618	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2Na"	45.978436
"1408525"	80.695504	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H+2Na"	46.985712
"1437358"	242.113546	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H+HCOOH"	47.012746
"227053"	223.12304	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+3H2O+2H"	56.04448
"1516207"	256.16559	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+IsoProp+H"	61.06479
"412613"	226.076988	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+Na+K"	61.952376
"776888"	323.627388	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+Na+K"	61.952376
"1669207"	128.526588	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Na+K"	61.952376
"254268"	454.217368	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+ACN+Na"	64.015768
"1228443"	259.116568	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+ACN+Na"	64.015768
"1716600"	259.140093	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+NH4+HCOOH"	64.039293
"1179887"	88.022818	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+3Na"	68.967654
"1651842"	264.095488	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Na+HCOOH"	68.994688
"170383"	467.12064	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+2K-H"	76.91904
"603015"	662.22144	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+2K-H"	76.91904
"1088619"	272.01984	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2K-H"	76.91904
"142275"	234.063958	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"2M+2K"	77.926316
"582073"	331.614358	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"3M+2K"	77.926316
"1070723"	136.513558	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2K"	77.926316
"1106002"	274.034392	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2K+H"	78.933592
"1336673"	274.122007	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+DMSO+H"	79.021207
"1007633"	278.161176	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2ACN+H"	83.060376
"1526129"	279.154808	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+IsoProp+Na+H"	84.054008
"995495"	139.584226	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+2ACN+2H"	84.067652
"1592190"	280.069428	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+K+HCOOH"	84.968628
"1417848"	310.100938	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+H+CF3COOH"	115.000138
"1150324"	160.097501	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+3ACN+2H"	125.094202
"1698052"	327.127485	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+NH4+CF3COOH"	132.026685
"1646463"	332.08288	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+Na+CF3COOH"	136.98208
"1581021"	348.05682	"C19581"	"alpha-3-(Nitrosoamino)propyl-3-pyridinemethanol"	"C9H13N3O2"	"195.1008"	"M+K+CF3COOH"	152.95602
"804827"	167.0946	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M"	0
"977265"	148.07621	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-H2O-H"	-19.01839
"63683"	110.389124	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M-3H"	-3.021828
"503968"	166.087324	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M-3H"	-3.021828
"881162"	54.690924	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-3H"	-3.021828
"2171"	166.087324	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M-2H"	-2.014552
"448657"	249.634624	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M-2H"	-2.014552
"828648"	82.540024	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-2H"	-2.014552
"87545"	333.181924	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M-H"	-1.007276
"528199"	500.276524	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M-H"	-1.007276
"899442"	166.087324	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-H"	-1.007276
"54910"	350.208471	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M-2H+NH4"	16.019271
"490093"	517.303071	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M-2H+NH4"	16.019271
"867894"	183.113871	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-2H+NH4"	16.019271
"34702"	355.163866	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M-2H+Na"	20.974666
"476457"	522.258466	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M-2H+Na"	20.974666
"860823"	188.069266	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-2H+Na"	20.974666
"1630357"	188.069266	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Na-2H"	20.974666
"98136"	184.075663	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M-H+Cl"	33.962126
"548154"	267.622963	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M-H+Cl"	33.962126
"937777"	100.528363	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-H+Cl"	33.962126
"275242"	369.158602	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+Cl"	34.969402
"663290"	536.253202	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+Cl"	34.969402
"1274233"	202.064002	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Cl"	34.969402
"19341"	371.137806	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M-2H+K"	36.948606
"459997"	538.232406	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M-2H+K"	36.948606
"837798"	204.043206	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-2H+K"	36.948606
"1557032"	204.043206	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+K-2H"	36.948606
"943211"	212.092794	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-H+HCOOH"	44.998194
"368483"	379.187401	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+HCOOH-H"	44.998201
"355651"	393.203051	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+Hac-H"	59.013851
"1501202"	226.108451	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Hac-H"	59.013851
"970930"	234.074751	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-H+NaCOOH"	66.980151
"120937"	202.064002	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+2Cl"	69.938804
"554298"	285.611302	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+2Cl"	69.938804
"1029293"	118.516702	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2Cl"	69.938804
"1244498"	246.013485	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Br"	78.918885
"1305852"	248.069472	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Cl+HCOOH"	80.974872
"1322253"	270.051429	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Cl+NaCOOH"	102.956829
"919880"	280.080186	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M-H+CF3COOH"	112.985586
"1294398"	316.056864	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Cl+CF3COOH"	148.962264
"1379125"	132.081924	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H-2H2O"	-35.012676
"1396870"	150.0919	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H-H2O"	-17.0027
"294851"	335.196476	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+H"	1.007276
"688369"	502.291076	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+H"	1.007276
"1362164"	168.101876	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H"	1.007276
"131405"	168.101876	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+2H"	2.014552
"572059"	251.649176	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+2H"	2.014552
"1039397"	84.554576	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2H"	2.014552
"204861"	112.403676	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+3H"	3.021828
"646856"	168.101876	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+3H"	3.021828
"1165348"	56.705476	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+3H"	3.021828
"425210"	352.223023	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+NH4"	18.033823
"786088"	519.317623	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+NH4"	18.033823
"1681683"	185.128423	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+NH4"	18.033823
"330204"	176.6151495	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+H+NH4"	19.041099
"723476"	260.1624495	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+H+NH4"	19.041099
"1477038"	93.0678495	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H+NH4"	19.041099
"394400"	357.178418	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+Na"	22.989218
"760148"	524.273018	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+Na"	22.989218
"1609341"	190.083818	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Na"	22.989218
"316095"	179.092847	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+H+Na"	23.996494
"710705"	262.640147	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+H+Na"	23.996494
"1461726"	95.545547	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H+Na"	23.996494
"1054488"	64.03279	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2H+Na"	25.00377
"1261631"	200.128086	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+CH3OH+H"	33.033486
"385679"	373.152358	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+K"	38.963158
"747768"	540.246958	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+K"	38.963158
"1541435"	206.057758	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+K"	38.963158
"301889"	187.079817	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+H+K"	39.970434
"696138"	270.627117	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+H+K"	39.970434
"1454334"	103.532517	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H+K"	39.970434
"246220"	376.223026	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+ACN+H"	42.033826
"1218929"	209.128426	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+ACN+H"	42.033826
"1202811"	105.067851	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+ACN+2H"	43.041102
"192400"	379.16036	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+2Na-H"	44.97116
"635239"	546.25496	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+2Na-H"	44.97116
"1135460"	212.06576	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2Na-H"	44.97116
"178387"	190.083818	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+2Na"	45.978436
"615030"	273.631118	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+2Na"	45.978436
"1121451"	106.536518	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2Na"	45.978436
"1407541"	71.360104	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H+2Na"	46.985712
"1437468"	214.107346	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H+HCOOH"	47.012746
"228256"	195.11684	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+3H2O+2H"	56.04448
"1515587"	228.15939	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+IsoProp+H"	61.06479
"414181"	198.070788	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+Na+K"	61.952376
"773717"	281.618088	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+Na+K"	61.952376
"1665832"	114.523488	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Na+K"	61.952376
"252431"	398.204968	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+ACN+Na"	64.015768
"1226357"	231.110368	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+ACN+Na"	64.015768
"1713422"	231.133893	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+NH4+HCOOH"	64.039293
"1182061"	78.687418	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+3Na"	68.967654
"1650371"	236.089288	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Na+HCOOH"	68.994688
"161375"	411.10824	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+2K-H"	76.91904
"597772"	578.20284	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+2K-H"	76.91904
"1088729"	244.01364	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2K-H"	76.91904
"142385"	206.057758	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"2M+2K"	77.926316
"582347"	289.605058	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"3M+2K"	77.926316
"1072898"	122.510458	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2K"	77.926316
"1103925"	246.028192	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2K+H"	78.933592
"1336298"	246.115807	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+DMSO+H"	79.021207
"1008836"	250.154976	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2ACN+H"	83.060376
"1526117"	251.148608	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+IsoProp+Na+H"	84.054008
"996698"	125.581126	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+2ACN+2H"	84.067652
"1592300"	252.063228	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+K+HCOOH"	84.968628
"1417958"	282.094738	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+H+CF3COOH"	115.000138
"1149705"	146.094401	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+3ACN+2H"	125.094202
"1697797"	299.121285	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+NH4+CF3COOH"	132.026685
"1646573"	304.07668	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+Na+CF3COOH"	136.98208
"1581131"	320.05062	"C19582"	"1-(3-Pyridinyl)-14-butanediol"	"C9H13NO2"	"167.0946"	"M+K+CF3COOH"	152.95602
"802021"	354.1315	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M"	0
"976282"	335.11311	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-H2O-H"	-19.01839
"67805"	235.080390666667	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M-3H"	-3.021828
"503232"	353.124224	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M-3H"	-3.021828
"881884"	117.036557333333	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-3H"	-3.021828
"3740"	353.124224	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M-2H"	-2.014552
"450954"	530.189974	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M-2H"	-2.014552
"828758"	176.058474	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-2H"	-2.014552
"87655"	707.255724	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M-H"	-1.007276
"528310"	1061.387224	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M-H"	-1.007276
"905020"	353.124224	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-H"	-1.007276
"56114"	724.282271	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M-2H+NH4"	16.019271
"494579"	1078.413771	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M-2H+NH4"	16.019271
"868007"	370.150771	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-2H+NH4"	16.019271
"36999"	729.237666	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M-2H+Na"	20.974666
"476567"	1083.369166	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M-2H+Na"	20.974666
"859840"	375.106166	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-2H+Na"	20.974666
"1627185"	375.106166	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Na-2H"	20.974666
"98246"	371.112563	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M-H+Cl"	33.962126
"535619"	548.178313	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M-H+Cl"	33.962126
"931321"	194.046813	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-H+Cl"	33.962126
"275352"	743.232402	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+Cl"	34.969402
"664493"	1097.363902	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+Cl"	34.969402
"1273977"	389.100902	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Cl"	34.969402
"22731"	745.211606	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M-2H+K"	36.948606
"460107"	1099.343106	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M-2H+K"	36.948606
"834992"	391.080106	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-2H+K"	36.948606
"1556657"	391.080106	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+K-2H"	36.948606
"942957"	399.129694	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-H+HCOOH"	44.998194
"367500"	753.261201	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+HCOOH-H"	44.998201
"355761"	767.276851	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+Hac-H"	59.013851
"1501312"	413.145351	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Hac-H"	59.013851
"971040"	421.111651	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-H+NaCOOH"	66.980151
"123233"	389.100902	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+2Cl"	69.938804
"554044"	566.166652	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+2Cl"	69.938804
"1029403"	212.035152	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2Cl"	69.938804
"1246065"	433.050385	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Br"	78.918885
"1306325"	435.106372	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Cl+HCOOH"	80.974872
"1322727"	457.088329	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Cl+NaCOOH"	102.956829
"919990"	467.117086	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M-H+CF3COOH"	112.985586
"1293415"	503.093764	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Cl+CF3COOH"	148.962264
"1377778"	319.118824	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H-2H2O"	-35.012676
"1397344"	337.1288	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H-H2O"	-17.0027
"293505"	709.270276	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+H"	1.007276
"689208"	1063.401776	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+H"	1.007276
"1363368"	355.138776	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H"	1.007276
"132608"	355.138776	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+2H"	2.014552
"573262"	532.204526	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+2H"	2.014552
"1039507"	178.073026	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2H"	2.014552
"204485"	237.094942666667	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+3H"	3.021828
"647330"	355.138776	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+3H"	3.021828
"1165822"	119.051109333333	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+3H"	3.021828
"425077"	726.296823	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+NH4"	18.033823
"786441"	1080.428323	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+NH4"	18.033823
"1682038"	372.165323	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+NH4"	18.033823
"330681"	363.6520495	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+H+NH4"	19.041099
"723103"	540.7177995	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+H+NH4"	19.041099
"1478383"	186.5862995	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H+NH4"	19.041099
"394881"	731.252218	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+Na"	22.989218
"760258"	1085.383718	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+Na"	22.989218
"1610544"	377.120718	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Na"	22.989218
"317299"	366.129747	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+H+Na"	23.996494
"707772"	543.195497	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+H+Na"	23.996494
"1464632"	189.063997	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H+Na"	23.996494
"1055692"	126.378423333333	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2H+Na"	25.00377
"1257852"	387.164986	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+CH3OH+H"	33.033486
"384696"	747.226158	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+K"	38.963158
"744598"	1101.357658	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+K"	38.963158
"1544460"	393.094658	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+K"	38.963158
"301999"	374.116717	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+H+K"	39.970434
"695155"	551.182467	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+H+K"	39.970434
"1454444"	197.050967	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H+K"	39.970434
"240859"	750.296826	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+ACN+H"	42.033826
"1219039"	396.165326	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+ACN+H"	42.033826
"1202921"	198.586301	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+ACN+2H"	43.041102
"194698"	753.23416	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+2Na-H"	44.97116
"635349"	1107.36566	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+2Na-H"	44.97116
"1141041"	399.10266	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2Na-H"	44.97116
"179958"	377.120718	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+2Na"	45.978436
"619518"	554.186468	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+2Na"	45.978436
"1120837"	200.054968	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2Na"	45.978436
"1407650"	133.705737333333	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H+2Na"	46.985712
"1437578"	401.144246	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H+HCOOH"	47.012746
"228366"	382.15374	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+3H2O+2H"	56.04448
"1513511"	415.19629	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+IsoProp+H"	61.06479
"418301"	385.107688	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+Na+K"	61.952376
"777109"	562.173438	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+Na+K"	61.952376
"1666877"	208.041938	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Na+K"	61.952376
"251813"	772.278768	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+ACN+Na"	64.015768
"1227564"	418.147268	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+ACN+Na"	64.015768
"1713777"	418.170793	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+NH4+HCOOH"	64.039293
"1178927"	141.033051333333	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+3Na"	68.967654
"1650482"	423.126188	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Na+HCOOH"	68.994688
"158195"	785.18204	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+2K-H"	76.91904
"597437"	1139.31354	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+2K-H"	76.91904
"1085429"	431.05054	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2K-H"	76.91904
"142247"	393.094658	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"2M+2K"	77.926316
"581809"	570.160408	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"3M+2K"	77.926316
"1071916"	216.028908	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2K"	77.926316
"1104035"	433.065092	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2K+H"	78.933592
"1336408"	433.152707	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+DMSO+H"	79.021207
"1005759"	437.191876	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2ACN+H"	83.060376
"1525985"	438.185508	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+IsoProp+Na+H"	84.054008
"990037"	219.099576	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+2ACN+2H"	84.067652
"1590221"	439.100128	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+K+HCOOH"	84.968628
"1418068"	469.131638	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+H+CF3COOH"	115.000138
"1149451"	239.612851	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+3ACN+2H"	125.094202
"1697543"	486.158185	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+NH4+CF3COOH"	132.026685
"1644496"	491.11358	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+Na+CF3COOH"	136.98208
"1577961"	507.08752	"C19583"	"Fusarenone X;Fusarenon-X"	"C17H22O8"	"354.1315"	"M+K+CF3COOH"	152.95602
"816351"	314.079	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M"	0
"987329"	295.06061	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-H2O-H"	-19.01839
"71196"	208.378724	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M-3H"	-3.021828
"507475"	313.071724	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M-3H"	-3.021828
"881996"	103.685724	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-3H"	-3.021828
"4945"	313.071724	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M-2H"	-2.014552
"449972"	470.111224	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M-2H"	-2.014552
"827773"	156.032224	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-2H"	-2.014552
"88858"	627.150724	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M-H"	-1.007276
"525137"	941.229724	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M-H"	-1.007276
"902940"	313.071724	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-H"	-1.007276
"56223"	644.177271	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M-2H+NH4"	16.019271
"495782"	958.256271	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M-2H+NH4"	16.019271
"871397"	330.098271	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-2H+NH4"	16.019271
"37110"	649.132666	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M-2H+Na"	20.974666
"479956"	963.211666	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M-2H+Na"	20.974666
"858492"	335.053666	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-2H+Na"	20.974666
"1627294"	335.053666	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Na-2H"	20.974666
"98356"	331.060063	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M-H+Cl"	33.962126
"539009"	488.099563	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M-H+Cl"	33.962126
"931431"	174.020563	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-H+Cl"	33.962126
"275462"	663.127402	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+Cl"	34.969402
"665698"	977.206402	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+Cl"	34.969402
"1275913"	349.048402	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Cl"	34.969402
"19561"	665.106606	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M-2H+K"	36.948606
"460217"	979.185606	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M-2H+K"	36.948606
"833273"	351.027606	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-2H+K"	36.948606
"1557132"	351.027606	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+K-2H"	36.948606
"942954"	359.077194	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-H+HCOOH"	44.998194
"367610"	673.156201	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+HCOOH-H"	44.998201
"356964"	687.171851	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+Hac-H"	59.013851
"1501422"	373.092851	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Hac-H"	59.013851
"972244"	381.059151	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-H+NaCOOH"	66.980151
"120061"	349.048402	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+2Cl"	69.938804
"557434"	506.087902	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+2Cl"	69.938804
"1029513"	192.008902	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2Cl"	69.938804
"1245082"	392.997885	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Br"	78.918885
"1306434"	395.053872	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Cl+HCOOH"	80.974872
"1322473"	417.035829	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Cl+NaCOOH"	102.956829
"920100"	427.064586	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M-H+CF3COOH"	112.985586
"1294619"	463.041264	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Cl+CF3COOH"	148.962264
"1378617"	279.066324	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H-2H2O"	-35.012676
"1397212"	297.0763	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H-H2O"	-17.0027
"294709"	629.165276	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+H"	1.007276
"689319"	943.244276	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+H"	1.007276
"1362385"	315.086276	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H"	1.007276
"132718"	315.086276	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+2H"	2.014552
"572279"	472.125776	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+2H"	2.014552
"1038888"	158.046776	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2H"	2.014552
"204961"	210.393276	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+3H"	3.021828
"645983"	315.086276	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+3H"	3.021828
"1165201"	105.700276	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+3H"	3.021828
"425064"	646.191823	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+NH4"	18.033823
"786186"	960.270823	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+NH4"	18.033823
"1682512"	332.112823	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+NH4"	18.033823
"331157"	323.5995495	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+H+NH4"	19.041099
"723579"	480.6390495	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+H+NH4"	19.041099
"1478127"	166.5600495	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H+NH4"	19.041099
"397178"	651.147218	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+Na"	22.989218
"760368"	965.226218	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+Na"	22.989218
"1609561"	337.068218	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Na"	22.989218
"317409"	326.077247	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+H+Na"	23.996494
"707761"	483.116747	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+H+Na"	23.996494
"1463649"	169.037747	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H+Na"	23.996494
"1055802"	113.02759	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2H+Na"	25.00377
"1257042"	347.112486	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+CH3OH+H"	33.033486
"384806"	667.121158	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+K"	38.963158
"743615"	981.200158	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+K"	38.963158
"1544570"	353.042158	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+K"	38.963158
"301745"	334.064217	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+H+K"	39.970434
"693079"	491.103717	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+H+K"	39.970434
"1447990"	177.024717	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H+K"	39.970434
"239876"	670.191826	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+ACN+H"	42.033826
"1214771"	356.112826	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+ACN+H"	42.033826
"1204120"	178.560051	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+ACN+2H"	43.041102
"194805"	673.12916	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+2Na-H"	44.97116
"636552"	987.20816	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+2Na-H"	44.97116
"1140058"	359.05016	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2Na-H"	44.97116
"181161"	337.068218	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+2Na"	45.978436
"620721"	494.107718	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+2Na"	45.978436
"1119854"	180.028718	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2Na"	45.978436
"1404478"	120.354904	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H+2Na"	46.985712
"1436228"	361.091746	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H+HCOOH"	47.012746
"228475"	342.10124	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+3H2O+2H"	56.04448
"1512526"	375.14379	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+IsoProp+H"	61.06479
"413671"	345.055188	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+Na+K"	61.952376
"775031"	502.094688	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+Na+K"	61.952376
"1667351"	188.015688	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Na+K"	61.952376
"255694"	692.173768	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+ACN+Na"	64.015768
"1227674"	378.094768	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+ACN+Na"	64.015768
"1713112"	378.118293	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+NH4+HCOOH"	64.039293
"1178830"	127.682218	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+3Na"	68.967654
"1650350"	383.073688	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Na+HCOOH"	68.994688
"157329"	705.07704	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+2K-H"	76.91904
"598237"	1019.15604	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+2K-H"	76.91904
"1084401"	390.99804	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2K-H"	76.91904
"141708"	353.042158	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"2M+2K"	77.926316
"586418"	510.081658	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"3M+2K"	77.926316
"1070204"	196.002658	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2K"	77.926316
"1110706"	393.012592	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2K+H"	78.933592
"1336397"	393.100207	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+DMSO+H"	79.021207
"1009059"	397.139376	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2ACN+H"	83.060376
"1529370"	398.133008	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+IsoProp+Na+H"	84.054008
"990718"	199.073326	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+2ACN+2H"	84.067652
"1591424"	399.047628	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+K+HCOOH"	84.968628
"1418178"	429.079138	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+H+CF3COOH"	115.000138
"1149561"	219.586601	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+3ACN+2H"	125.094202
"1697289"	446.105685	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+NH4+CF3COOH"	132.026685
"1644606"	451.06108	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+Na+CF3COOH"	136.98208
"1578071"	467.03502	"C19584"	"Aflatoxicol;AFL"	"C17H14O6"	"314.079"	"M+K+CF3COOH"	152.95602
"816762"	328.0583	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M"	0
"984158"	309.03991	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-H2O-H"	-19.01839
"69119"	217.698257333333	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M-3H"	-3.021828
"504305"	327.051024	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M-3H"	-3.021828
"883199"	108.345490666667	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-3H"	-3.021828
"7242"	327.051024	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M-2H"	-2.014552
"447895"	491.080174	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M-2H"	-2.014552
"830070"	163.021874	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-2H"	-2.014552
"86780"	655.109324	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M-H"	-1.007276
"528529"	983.167624	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M-H"	-1.007276
"909613"	327.051024	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-H"	-1.007276
"59615"	672.135871	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M-2H+NH4"	16.019271
"498081"	1000.194171	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M-2H+NH4"	16.019271
"873695"	344.077571	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-2H+NH4"	16.019271
"38314"	677.091266	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M-2H+Na"	20.974666
"478972"	1005.149566	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M-2H+Na"	20.974666
"858602"	349.032966	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-2H+Na"	20.974666
"1627404"	349.032966	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Na-2H"	20.974666
"97733"	345.039363	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M-H+Cl"	33.962126
"539119"	509.068513	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M-H+Cl"	33.962126
"932634"	181.010213	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-H+Cl"	33.962126
"273377"	691.086002	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+Cl"	34.969402
"669079"	1019.144302	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+Cl"	34.969402
"1273836"	363.027702	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Cl"	34.969402
"19671"	693.065206	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M-2H+K"	36.948606
"460327"	1021.123506	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M-2H+K"	36.948606
"838128"	365.006906	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-2H+K"	36.948606
"1558700"	365.006906	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+K-2H"	36.948606
"949497"	373.056494	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-H+HCOOH"	44.998194
"367720"	701.114801	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+HCOOH-H"	44.998201
"357074"	715.130451	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+Hac-H"	59.013851
"1501532"	387.072151	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Hac-H"	59.013851
"973408"	395.038451	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-H+NaCOOH"	66.980151
"120171"	363.027702	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+2Cl"	69.938804
"560824"	527.056852	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+2Cl"	69.938804
"1025249"	198.998552	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2Cl"	69.938804
"1243732"	406.977185	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Br"	78.918885
"1306544"	409.033172	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Cl+HCOOH"	80.974872
"1320394"	431.015129	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Cl+NaCOOH"	102.956829
"922396"	441.043886	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M-H+CF3COOH"	112.985586
"1292543"	477.020564	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Cl+CF3COOH"	148.962264
"1379459"	293.045624	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H-2H2O"	-35.012676
"1395862"	311.0556	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H-H2O"	-17.0027
"297983"	657.123876	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+H"	1.007276
"690974"	985.182176	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+H"	1.007276
"1363224"	329.065576	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H"	1.007276
"138664"	329.065576	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+2H"	2.014552
"577131"	493.094726	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+2H"	2.014552
"1040094"	165.036426	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2H"	2.014552
"205313"	219.712809333333	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+3H"	3.021828
"646457"	329.065576	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+3H"	3.021828
"1165682"	110.360042666667	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+3H"	3.021828
"426761"	674.150423	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+NH4"	18.033823
"788852"	1002.208723	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+NH4"	18.033823
"1682991"	346.092123	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+NH4"	18.033823
"330904"	337.5788495	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+H+NH4"	19.041099
"726977"	501.6079995	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+H+NH4"	19.041099
"1479334"	173.5496995	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H+NH4"	19.041099
"394008"	679.105818	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+Na"	22.989218
"765220"	1007.164118	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+Na"	22.989218
"1612951"	351.047518	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Na"	22.989218
"316426"	340.056547	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+H+Na"	23.996494
"707385"	504.085697	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+H+Na"	23.996494
"1463759"	176.027397	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H+Na"	23.996494
"1059193"	117.687356666667	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2H+Na"	25.00377
"1257954"	361.091786	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+CH3OH+H"	33.033486
"381636"	695.079758	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+K"	38.963158
"743725"	1023.138058	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+K"	38.963158
"1541402"	367.021458	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+K"	38.963158
"304042"	348.043517	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+H+K"	39.970434
"695375"	512.072667	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+H+K"	39.970434
"1449195"	184.014367	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H+K"	39.970434
"238893"	698.150426	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+ACN+H"	42.033826
"1213787"	370.092126	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+ACN+H"	42.033826
"1199857"	185.549701	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+ACN+2H"	43.041102
"193822"	701.08776	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+2Na-H"	44.97116
"634476"	1029.14606	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+2Na-H"	44.97116
"1137980"	373.02946	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2Na-H"	44.97116
"180907"	351.047518	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+2Na"	45.978436
"624111"	515.076668	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+2Na"	45.978436
"1123244"	187.018368	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2Na"	45.978436
"1405681"	125.014670666667	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H+2Na"	46.985712
"1435611"	375.071046	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H+HCOOH"	47.012746
"227493"	356.08054	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+3H2O+2H"	56.04448
"1517740"	389.12309	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+IsoProp+H"	61.06479
"417427"	359.034488	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+Na+K"	61.952376
"776235"	523.063638	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+Na+K"	61.952376
"1668190"	195.005338	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Na+K"	61.952376
"254711"	720.132368	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+ACN+Na"	64.015768
"1228878"	392.074068	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+ACN+Na"	64.015768
"1714850"	392.097593	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+NH4+HCOOH"	64.039293
"1180932"	132.341984666667	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+3Na"	68.967654
"1653012"	397.052988	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Na+HCOOH"	68.994688
"159874"	733.03564	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+2K-H"	76.91904
"598706"	1061.09394	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+2K-H"	76.91904
"1084717"	404.97734	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2K-H"	76.91904
"141736"	367.021458	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"2M+2K"	77.926316
"581659"	531.050608	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"3M+2K"	77.926316
"1072135"	202.992308	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2K"	77.926316
"1103160"	406.991892	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2K+H"	78.933592
"1337356"	407.079507	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+DMSO+H"	79.021207
"1011352"	411.118676	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2ACN+H"	83.060376
"1525466"	412.112308	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+IsoProp+Na+H"	84.054008
"990828"	206.062976	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+2ACN+2H"	84.067652
"1593721"	413.026928	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+K+HCOOH"	84.968628
"1418288"	443.058438	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+H+CF3COOH"	115.000138
"1148576"	226.576251	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+3ACN+2H"	125.094202
"1698124"	460.084985	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+NH4+CF3COOH"	132.026685
"1643623"	465.04038	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+Na+CF3COOH"	136.98208
"1578181"	481.01432	"C19585"	"Aflatoxin Q1"	"C17H12O7"	"328.0583"	"M+K+CF3COOH"	152.95602
"816208"	328.0583	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M"	0
"989373"	309.03991	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-H2O-H"	-19.01839
"73604"	217.698257333333	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M-3H"	-3.021828
"510977"	327.051024	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M-3H"	-3.021828
"884404"	108.345490666667	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-3H"	-3.021828
"6259"	327.051024	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M-2H"	-2.014552
"449097"	491.080174	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M-2H"	-2.014552
"826899"	163.021874	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-2H"	-2.014552
"86890"	655.109324	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M-H"	-1.007276
"529732"	983.167624	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M-H"	-1.007276
"909723"	327.051024	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-H"	-1.007276
"58632"	672.135871	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M-2H+NH4"	16.019271
"501596"	1000.194171	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M-2H+NH4"	16.019271
"873804"	344.077571	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-2H+NH4"	16.019271
"37330"	677.091266	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M-2H+Na"	20.974666
"477991"	1005.149566	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M-2H+Na"	20.974666
"855797"	349.032966	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-2H+Na"	20.974666
"1626421"	349.032966	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Na-2H"	20.974666
"98572"	345.039363	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M-H+Cl"	33.962126
"538136"	509.068513	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M-H+Cl"	33.962126
"930557"	181.010213	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-H+Cl"	33.962126
"271299"	691.086002	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+Cl"	34.969402
"665908"	1019.144302	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+Cl"	34.969402
"1276487"	363.027702	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Cl"	34.969402
"16130"	693.065206	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M-2H+K"	36.948606
"455755"	1021.123506	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M-2H+K"	36.948606
"833497"	365.006906	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-2H+K"	36.948606
"1557350"	365.006906	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+K-2H"	36.948606
"945233"	373.056494	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-H+HCOOH"	44.998194
"366737"	701.114801	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+HCOOH-H"	44.998201
"357184"	715.130451	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+Hac-H"	59.013851
"1501642"	387.072151	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Hac-H"	59.013851
"972465"	395.038451	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-H+NaCOOH"	66.980151
"119188"	363.027702	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+2Cl"	69.938804
"560934"	527.056852	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+2Cl"	69.938804
"1023537"	198.998552	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2Cl"	69.938804
"1242870"	406.977185	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Br"	78.918885
"1307383"	409.033172	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Cl+HCOOH"	80.974872
"1320259"	431.015129	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Cl+NaCOOH"	102.956829
"922506"	441.043886	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M-H+CF3COOH"	112.985586
"1291560"	477.020564	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Cl+CF3COOH"	148.962264
"1380661"	293.045624	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H-2H2O"	-35.012676
"1396703"	311.0556	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H-H2O"	-17.0027
"296389"	657.123876	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+H"	1.007276
"691000"	985.182176	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+H"	1.007276
"1362969"	329.065576	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H"	1.007276
"138773"	329.065576	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+2H"	2.014552
"578333"	493.094726	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+2H"	2.014552
"1040204"	165.036426	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2H"	2.014552
"205668"	219.712809333333	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+3H"	3.021828
"645593"	329.065576	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+3H"	3.021828
"1166517"	110.360042666667	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+3H"	3.021828
"426505"	674.150423	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+NH4"	18.033823
"788962"	1002.208723	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+NH4"	18.033823
"1682739"	346.092123	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+NH4"	18.033823
"330891"	337.5788495	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+H+NH4"	19.041099
"726356"	501.6079995	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+H+NH4"	19.041099
"1478351"	173.5496995	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H+NH4"	19.041099
"393266"	679.105818	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+Na"	22.989218
"765330"	1007.164118	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+Na"	22.989218
"1613061"	351.047518	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Na"	22.989218
"316536"	340.056547	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+H+Na"	23.996494
"708348"	504.085697	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+H+Na"	23.996494
"1461759"	176.027397	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H+Na"	23.996494
"1059303"	117.687356666667	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2H+Na"	25.00377
"1259158"	361.091786	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+CH3OH+H"	33.033486
"381744"	695.079758	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+K"	38.963158
"743833"	1023.138058	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+K"	38.963158
"1543698"	367.021458	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+K"	38.963158
"303059"	348.043517	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+H+K"	39.970434
"694391"	512.072667	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+H+K"	39.970434
"1449305"	184.014367	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H+K"	39.970434
"240096"	698.150426	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+ACN+H"	42.033826
"1216083"	370.092126	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+ACN+H"	42.033826
"1199967"	185.549701	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+ACN+2H"	43.041102
"197213"	701.08776	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+2Na-H"	44.97116
"636774"	1029.14606	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+2Na-H"	44.97116
"1140279"	373.02946	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2Na-H"	44.97116
"184662"	351.047518	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+2Na"	45.978436
"624222"	515.076668	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+2Na"	45.978436
"1122262"	187.018368	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2Na"	45.978436
"1402875"	125.014670666667	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H+2Na"	46.985712
"1436813"	375.071046	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H+HCOOH"	47.012746
"227603"	356.08054	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+3H2O+2H"	56.04448
"1516757"	389.12309	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+IsoProp+H"	61.06479
"410609"	359.034488	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+Na+K"	61.952376
"772332"	523.063638	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+Na+K"	61.952376
"1668299"	195.005338	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Na+K"	61.952376
"254819"	720.132368	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+ACN+Na"	64.015768
"1227895"	392.074068	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+ACN+Na"	64.015768
"1712744"	392.097593	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+NH4+HCOOH"	64.039293
"1182501"	132.341984666667	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+3Na"	68.967654
"1650935"	397.052988	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Na+HCOOH"	68.994688
"159621"	733.03564	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+2K-H"	76.91904
"599180"	1061.09394	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+2K-H"	76.91904
"1084230"	404.97734	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2K-H"	76.91904
"141441"	367.021458	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"2M+2K"	77.926316
"581400"	531.050608	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"3M+2K"	77.926316
"1070059"	202.992308	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2K"	77.926316
"1106551"	406.991892	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2K+H"	78.933592
"1339655"	407.079507	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+DMSO+H"	79.021207
"1009275"	411.118676	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2ACN+H"	83.060376
"1526310"	412.112308	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+IsoProp+Na+H"	84.054008
"991667"	206.062976	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+2ACN+2H"	84.067652
"1593831"	413.026928	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+K+HCOOH"	84.968628
"1418398"	443.058438	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+H+CF3COOH"	115.000138
"1151966"	226.576251	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+3ACN+2H"	125.094202
"1697384"	460.084985	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+NH4+CF3COOH"	132.026685
"1643733"	465.04038	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+Na+CF3COOH"	136.98208
"1578291"	481.01432	"C19586"	"Aflatoxin B1-exo-89-epoxide;23-Epoxyaflatoxin B1"	"C17H12O7"	"328.0583"	"M+K+CF3COOH"	152.95602
"816642"	298.0477	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M"	0
"984378"	279.02931	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-H2O-H"	-19.01839
"73714"	197.691190666667	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M-3H"	-3.021828
"512180"	297.040424	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M-3H"	-3.021828
"887794"	98.3419573333333	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-3H"	-3.021828
"6369"	297.040424	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M-2H"	-2.014552
"451395"	446.064274	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M-2H"	-2.014552
"827009"	148.016574	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-2H"	-2.014552
"85909"	595.088124	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M-H"	-1.007276
"528751"	893.135824	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M-H"	-1.007276
"909348"	297.040424	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-H"	-1.007276
"61659"	612.114671	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M-2H+NH4"	16.019271
"501220"	910.162371	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M-2H+NH4"	16.019271
"872821"	314.066971	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-2H+NH4"	16.019271
"37441"	617.070066	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M-2H+Na"	20.974666
"477371"	915.117766	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M-2H+Na"	20.974666
"858093"	319.022366	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-2H+Na"	20.974666
"1626531"	319.022366	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Na-2H"	20.974666
"99049"	315.028763	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M-H+Cl"	33.962126
"539339"	464.052613	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M-H+Cl"	33.962126
"933947"	166.004913	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-H+Cl"	33.962126
"271409"	631.064802	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+Cl"	34.969402
"666019"	929.112502	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+Cl"	34.969402
"1276235"	333.017102	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Cl"	34.969402
"16243"	633.044006	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M-2H+K"	36.948606
"456290"	931.091706	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M-2H+K"	36.948606
"833727"	334.996306	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-2H+K"	36.948606
"1557096"	334.996306	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+K-2H"	36.948606
"946436"	343.045894	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-H+HCOOH"	44.998194
"366846"	641.093601	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+HCOOH-H"	44.998201
"356201"	655.109251	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+Hac-H"	59.013851
"1496283"	357.061551	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Hac-H"	59.013851
"967105"	365.027851	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-H+NaCOOH"	66.980151
"119298"	333.017102	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+2Cl"	69.938804
"559951"	482.040952	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+2Cl"	69.938804
"1024375"	183.993252	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2Cl"	69.938804
"1242858"	376.966585	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Br"	78.918885
"1305427"	379.022572	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Cl+HCOOH"	80.974872
"1319976"	401.004529	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Cl+NaCOOH"	102.956829
"922616"	411.033286	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M-H+CF3COOH"	112.985586
"1292763"	447.009964	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Cl+CF3COOH"	148.962264
"1381500"	263.035024	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H-2H2O"	-35.012676
"1396811"	281.045	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H-H2O"	-17.0027
"295769"	597.102676	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+H"	1.007276
"689283"	895.150376	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+H"	1.007276
"1364171"	299.054976	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H"	1.007276
"137060"	299.054976	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+2H"	2.014552
"574797"	448.078826	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+2H"	2.014552
"1041407"	150.031126	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2H"	2.014552
"205171"	199.705742666667	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+3H"	3.021828
"645216"	299.054976	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+3H"	3.021828
"1166991"	100.356509333333	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+3H"	3.021828
"425277"	614.129223	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+NH4"	18.033823
"787977"	912.176923	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+NH4"	18.033823
"1681751"	316.081523	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+NH4"	18.033823
"331001"	307.5682495	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+H+NH4"	19.041099
"723421"	456.5920995	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+H+NH4"	19.041099
"1478819"	158.5443995	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H+NH4"	19.041099
"393248"	619.084618	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+Na"	22.989218
"760700"	917.132318	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+Na"	22.989218
"1607704"	321.036918	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Na"	22.989218
"316646"	310.045947	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+H+Na"	23.996494
"709066"	459.069797	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+H+Na"	23.996494
"1461907"	161.022097	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H+Na"	23.996494
"1058319"	107.683823333333	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2H+Na"	25.00377
"1261090"	331.081186	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+CH3OH+H"	33.033486
"380760"	635.058558	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+K"	38.963158
"743943"	933.106258	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+K"	38.963158
"1544901"	337.010858	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+K"	38.963158
"305357"	318.032917	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+H+K"	39.970434
"697782"	467.056767	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+H+K"	39.970434
"1452695"	169.009067	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H+K"	39.970434
"243486"	638.129226	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+ACN+H"	42.033826
"1221660"	340.081526	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+ACN+H"	42.033826
"1202264"	170.544401	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+ACN+2H"	43.041102
"200603"	641.06656	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+2Na-H"	44.97116
"643776"	939.11426	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+2Na-H"	44.97116
"1141483"	343.01886	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2Na-H"	44.97116
"188056"	321.036918	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+2Na"	45.978436
"627248"	470.060768	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+2Na"	45.978436
"1124558"	172.013068	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2Na"	45.978436
"1400798"	115.011137333333	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H+2Na"	46.985712
"1434736"	345.060446	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H+HCOOH"	47.012746
"225525"	326.06994	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+3H2O+2H"	56.04448
"1513586"	359.11249	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+IsoProp+H"	61.06479
"412544"	329.023888	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+Na+K"	61.952376
"771715"	478.047738	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+Na+K"	61.952376
"1670231"	180.000038	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Na+K"	61.952376
"255294"	660.111168	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+ACN+Na"	64.015768
"1228370"	362.063468	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+ACN+Na"	64.015768
"1713976"	362.086993	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+NH4+HCOOH"	64.039293
"1183340"	122.338451333333	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+3Na"	68.967654
"1650226"	367.042388	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Na+HCOOH"	68.994688
"158393"	673.01444	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+2K-H"	76.91904
"597951"	971.06214	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+2K-H"	76.91904
"1084656"	374.96674	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2K-H"	76.91904
"142075"	337.010858	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"2M+2K"	77.926316
"581999"	486.034708	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"3M+2K"	77.926316
"1069314"	187.987008	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2K"	77.926316
"1100465"	376.981292	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2K+H"	78.933592
"1335752"	377.068907	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+DMSO+H"	79.021207
"1006588"	381.108076	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2ACN+H"	83.060376
"1525321"	382.101708	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+IsoProp+Na+H"	84.054008
"990681"	191.057676	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+2ACN+2H"	84.067652
"1595034"	383.016328	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+K+HCOOH"	84.968628
"1418508"	413.047838	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+H+CF3COOH"	115.000138
"1149889"	211.570951	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+3ACN+2H"	125.094202
"1697143"	430.074385	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+NH4+CF3COOH"	132.026685
"1640563"	435.02978	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+Na+CF3COOH"	136.98208
"1578401"	451.00372	"C19587"	"Aflatoxin P1;AFP1"	"C16H10O6"	"298.0477"	"M+K+CF3COOH"	152.95602
"816832"	346.0689	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M"	0
"984488"	327.05051	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-H2O-H"	-19.01839
"76011"	229.705324	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M-3H"	-3.021828
"512290"	345.061624	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M-3H"	-3.021828
"890091"	114.349024	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-3H"	-3.021828
"11946"	345.061624	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M-2H"	-2.014552
"454421"	518.096074	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M-2H"	-2.014552
"826027"	172.027174	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-2H"	-2.014552
"91487"	691.130524	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M-H"	-1.007276
"532995"	1037.199424	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M-H"	-1.007276
"909823"	345.061624	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-H"	-1.007276
"61892"	708.157071	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M-2H+NH4"	16.019271
"499508"	1054.225971	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M-2H+NH4"	16.019271
"875117"	362.088171	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-2H+NH4"	16.019271
"36457"	713.112466	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M-2H+Na"	20.974666
"479305"	1059.181366	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M-2H+Na"	20.974666
"854921"	367.043566	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-2H+Na"	20.974666
"1624454"	367.043566	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Na-2H"	20.974666
"98794"	363.049963	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M-H+Cl"	33.962126
"541635"	536.084413	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M-H+Cl"	33.962126
"937337"	190.015513	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-H+Cl"	33.962126
"270790"	727.107202	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+Cl"	34.969402
"665035"	1073.176102	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+Cl"	34.969402
"1276711"	381.038302	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Cl"	34.969402
"17566"	729.086406	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M-2H+K"	36.948606
"457245"	1075.155306	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M-2H+K"	36.948606
"833840"	383.017506	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-2H+K"	36.948606
"1559029"	383.017506	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+K-2H"	36.948606
"945817"	391.067094	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-H+HCOOH"	44.998194
"366957"	737.136001	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+HCOOH-H"	44.998201
"357404"	751.151651	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+Hac-H"	59.013851
"1496028"	405.082751	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Hac-H"	59.013851
"963935"	413.049051	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-H+NaCOOH"	66.980151
"118315"	381.038302	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+2Cl"	69.938804
"561154"	554.072752	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+2Cl"	69.938804
"1024486"	208.003852	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2Cl"	69.938804
"1248072"	424.987785	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Br"	78.918885
"1307602"	427.043772	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Cl+HCOOH"	80.974872
"1321089"	449.025729	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Cl+NaCOOH"	102.956829
"923822"	459.054486	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M-H+CF3COOH"	112.985586
"1297248"	495.031164	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Cl+CF3COOH"	148.962264
"1381854"	311.056224	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H-2H2O"	-35.012676
"1395098"	329.0662	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H-H2O"	-17.0027
"296607"	693.145076	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+H"	1.007276
"687207"	1039.213976	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+H"	1.007276
"1364281"	347.076176	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H"	1.007276
"137898"	347.076176	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+2H"	2.014552
"571625"	520.110626	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+2H"	2.014552
"1041517"	174.041726	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2H"	2.014552
"205158"	231.719876	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+3H"	3.021828
"644959"	347.076176	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+3H"	3.021828
"1166009"	116.363576	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+3H"	3.021828
"424699"	710.171623	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+NH4"	18.033823
"788815"	1056.240523	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+NH4"	18.033823
"1682227"	364.102723	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+NH4"	18.033823
"330504"	355.5894495	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+H+NH4"	19.041099
"723329"	528.6238995	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+H+NH4"	19.041099
"1478081"	182.5549995	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H+NH4"	19.041099
"393848"	715.127018	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+Na"	22.989218
"756436"	1061.195918	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+Na"	22.989218
"1603560"	369.058118	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Na"	22.989218
"317849"	358.067147	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+H+Na"	23.996494
"708446"	531.101597	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+H+Na"	23.996494
"1462260"	185.032697	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H+Na"	23.996494
"1057335"	123.69089	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2H+Na"	25.00377
"1262293"	379.102386	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+CH3OH+H"	33.033486
"379775"	731.100958	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+K"	38.963158
"742959"	1077.169858	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+K"	38.963158
"1545011"	385.032058	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+K"	38.963158
"305467"	366.054117	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+H+K"	39.970434
"701172"	539.088567	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+H+K"	39.970434
"1454991"	193.019667	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H+K"	39.970434
"244687"	734.171626	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+ACN+H"	42.033826
"1218492"	388.102726	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+ACN+H"	42.033826
"1203104"	194.555001	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+ACN+2H"	43.041102
"199620"	737.10896	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+2Na-H"	44.97116
"643190"	1083.17786	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+2Na-H"	44.97116
"1142687"	391.04006	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2Na-H"	44.97116
"184518"	369.058118	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+2Na"	45.978436
"625537"	542.092568	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+2Na"	45.978436
"1129044"	196.023668	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2Na"	45.978436
"1404917"	131.018204	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H+2Na"	46.985712
"1435940"	393.081646	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H+HCOOH"	47.012746
"225998"	374.09114	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+3H2O+2H"	56.04448
"1514790"	407.13369	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+IsoProp+H"	61.06479
"411924"	377.045088	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+Na+K"	61.952376
"772555"	550.079538	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+Na+K"	61.952376
"1670346"	204.010638	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Na+K"	61.952376
"254680"	756.153568	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+ACN+Na"	64.015768
"1229574"	410.084668	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+ACN+Na"	64.015768
"1715913"	410.108193	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+NH4+HCOOH"	64.039293
"1186369"	138.345518	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+3Na"	68.967654
"1651276"	415.063588	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Na+HCOOH"	68.994688
"160204"	769.05684	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+2K-H"	76.91904
"599156"	1115.12574	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+2K-H"	76.91904
"1085128"	422.98794	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2K-H"	76.91904
"141742"	385.032058	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"2M+2K"	77.926316
"583694"	558.066508	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"3M+2K"	77.926316
"1069295"	211.997608	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2K"	77.926316
"1102396"	425.002492	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2K+H"	78.933592
"1336347"	425.090107	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+DMSO+H"	79.021207
"1006327"	429.129276	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2ACN+H"	83.060376
"1524573"	430.122908	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+IsoProp+Na+H"	84.054008
"991155"	215.068276	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+2ACN+2H"	84.067652
"1597332"	431.037528	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+K+HCOOH"	84.968628
"1418619"	461.069038	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+H+CF3COOH"	115.000138
"1155466"	235.581551	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+3ACN+2H"	125.094202
"1706112"	478.095585	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+NH4+CF3COOH"	132.026685
"1643954"	483.05098	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+Na+CF3COOH"	136.98208
"1578511"	499.02492	"C19588"	"Aflatoxin B1 diol;Aflatoxin B1-23-dihydrodiol"	"C17H14O8"	"346.0689"	"M+K+CF3COOH"	152.95602
"816875"	346.0689	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M"	0
"985691"	327.05051	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-H2O-H"	-19.01839
"68466"	229.705324	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M-3H"	-3.021828
"505839"	345.061624	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M-3H"	-3.021828
"890201"	114.349024	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-3H"	-3.021828
"13149"	345.061624	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M-2H"	-2.014552
"451615"	518.096074	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M-2H"	-2.014552
"826137"	172.027174	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-2H"	-2.014552
"91597"	691.130524	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M-H"	-1.007276
"533711"	1037.199424	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M-H"	-1.007276
"906773"	345.061624	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-H"	-1.007276
"62002"	708.157071	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M-2H+NH4"	16.019271
"496337"	1054.225971	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M-2H+NH4"	16.019271
"871947"	362.088171	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-2H+NH4"	16.019271
"35474"	713.112466	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M-2H+Na"	20.974666
"482696"	1059.181366	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M-2H+Na"	20.974666
"855031"	367.043566	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-2H+Na"	20.974666
"1623470"	367.043566	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Na-2H"	20.974666
"102184"	363.049963	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M-H+Cl"	33.962126
"541745"	536.084413	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M-H+Cl"	33.962126
"936354"	190.015513	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-H+Cl"	33.962126
"269441"	727.107202	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+Cl"	34.969402
"663321"	1073.176102	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+Cl"	34.969402
"1274633"	381.038302	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Cl"	34.969402
"17189"	729.086406	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M-2H+K"	36.948606
"456386"	1075.155306	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M-2H+K"	36.948606
"835652"	383.017506	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-2H+K"	36.948606
"1556343"	383.017506	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+K-2H"	36.948606
"946657"	391.067094	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-H+HCOOH"	44.998194
"370346"	737.136001	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+HCOOH-H"	44.998201
"351315"	751.151651	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+Hac-H"	59.013851
"1499418"	405.082751	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Hac-H"	59.013851
"961855"	413.049051	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-H+NaCOOH"	66.980151
"120611"	381.038302	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+2Cl"	69.938804
"557984"	554.072752	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+2Cl"	69.938804
"1026418"	208.003852	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2Cl"	69.938804
"1245995"	424.987785	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Br"	78.918885
"1306985"	427.043772	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Cl+HCOOH"	80.974872
"1320103"	449.025729	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Cl+NaCOOH"	102.956829
"925389"	459.054486	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M-H+CF3COOH"	112.985586
"1295169"	495.031164	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Cl+CF3COOH"	148.962264
"1381718"	311.056224	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H-2H2O"	-35.012676
"1394116"	329.0662	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H-H2O"	-17.0027
"297447"	693.145076	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+H"	1.007276
"689869"	1039.213976	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+H"	1.007276
"1364393"	347.076176	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H"	1.007276
"137644"	347.076176	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+2H"	2.014552
"571735"	520.110626	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+2H"	2.014552
"1041627"	174.041726	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2H"	2.014552
"205269"	231.719876	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+3H"	3.021828
"645801"	347.076176	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+3H"	3.021828
"1168307"	116.363576	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+3H"	3.021828
"426107"	710.171623	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+NH4"	18.033823
"788198"	1056.240523	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+NH4"	18.033823
"1681974"	364.102723	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+NH4"	18.033823
"330983"	355.5894495	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+H+NH4"	19.041099
"723035"	528.6238995	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+H+NH4"	19.041099
"1477339"	182.5549995	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H+NH4"	19.041099
"392972"	715.127018	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+Na"	22.989218
"759824"	1061.195918	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+Na"	22.989218
"1606828"	369.058118	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Na"	22.989218
"316863"	358.067147	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+H+Na"	23.996494
"707332"	531.101597	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+H+Na"	23.996494
"1461763"	185.032697	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H+Na"	23.996494
"1056351"	123.69089	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2H+Na"	25.00377
"1259121"	379.102386	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+CH3OH+H"	33.033486
"378792"	731.100958	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+K"	38.963158
"741974"	1077.169858	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+K"	38.963158
"1543298"	385.032058	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+K"	38.963158
"304482"	366.054117	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+H+K"	39.970434
"699094"	539.088567	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+H+K"	39.970434
"1455101"	193.019667	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H+K"	39.970434
"242611"	734.171626	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+ACN+H"	42.033826
"1218601"	388.102726	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+ACN+H"	42.033826
"1201393"	194.555001	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+ACN+2H"	43.041102
"198637"	737.10896	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+2Na-H"	44.97116
"642207"	1083.17786	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+2Na-H"	44.97116
"1145713"	391.04006	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2Na-H"	44.97116
"186815"	369.058118	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+2Na"	45.978436
"624554"	542.092568	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+2Na"	45.978436
"1125874"	196.023668	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2Na"	45.978436
"1400652"	131.018204	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H+2Na"	46.985712
"1433134"	393.081646	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H+HCOOH"	47.012746
"223192"	374.09114	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+3H2O+2H"	56.04448
"1513807"	407.13369	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+IsoProp+H"	61.06479
"411305"	377.045088	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+Na+K"	61.952376
"772301"	550.079538	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+Na+K"	61.952376
"1668271"	204.010638	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Na+K"	61.952376
"254063"	756.153568	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+ACN+Na"	64.015768
"1227132"	410.084668	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+ACN+Na"	64.015768
"1717848"	410.108193	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+NH4+HCOOH"	64.039293
"1183201"	138.345518	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+3Na"	68.967654
"1656373"	415.063588	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Na+HCOOH"	68.994688
"159706"	769.05684	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+2K-H"	76.91904
"598538"	1115.12574	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+2K-H"	76.91904
"1084509"	422.98794	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2K-H"	76.91904
"141647"	385.032058	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"2M+2K"	77.926316
"581981"	558.066508	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"3M+2K"	77.926316
"1070016"	211.997608	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2K"	77.926316
"1101777"	425.002492	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2K+H"	78.933592
"1336698"	425.090107	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+DMSO+H"	79.021207
"1006442"	429.129276	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2ACN+H"	83.060376
"1524928"	430.122908	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+IsoProp+Na+H"	84.054008
"991263"	215.068276	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+2ACN+2H"	84.067652
"1597441"	431.037528	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+K+HCOOH"	84.968628
"1418729"	461.069038	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+H+CF3COOH"	115.000138
"1152296"	235.581551	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+3ACN+2H"	125.094202
"1706222"	478.095585	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+NH4+CF3COOH"	132.026685
"1644064"	483.05098	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+Na+CF3COOH"	136.98208
"1578621"	499.02492	"C19589"	"Aflatoxin B1 dialdehyde"	"C17H14O8"	"346.0689"	"M+K+CF3COOH"	152.95602
"815429"	350.1002	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M"	0
"984708"	331.08181	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-H2O-H"	-19.01839
"71856"	232.392857333333	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M-3H"	-3.021828
"511416"	349.092924	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M-3H"	-3.021828
"889218"	115.692790666667	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-3H"	-3.021828
"11073"	349.092924	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M-2H"	-2.014552
"448445"	524.143024	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M-2H"	-2.014552
"825154"	174.042824	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-2H"	-2.014552
"90614"	699.193124	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M-H"	-1.007276
"533460"	1049.293324	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M-H"	-1.007276
"906883"	349.092924	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-H"	-1.007276
"60166"	716.219671	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M-2H+NH4"	16.019271
"492074"	1066.319871	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M-2H+NH4"	16.019271
"869141"	366.119471	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-2H+NH4"	16.019271
"34490"	721.175066	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M-2H+Na"	20.974666
"479527"	1071.275266	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M-2H+Na"	20.974666
"852955"	371.074866	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-2H+Na"	20.974666
"1624675"	371.074866	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Na-2H"	20.974666
"100108"	367.081263	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M-H+Cl"	33.962126
"541856"	542.131363	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M-H+Cl"	33.962126
"936465"	192.031163	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-H+Cl"	33.962126
"269553"	735.169802	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+Cl"	34.969402
"666350"	1085.270002	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+Cl"	34.969402
"1273651"	385.069602	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Cl"	34.969402
"18400"	737.149006	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M-2H+K"	36.948606
"456867"	1087.249206	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M-2H+K"	36.948606
"836492"	387.048806	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-2H+K"	36.948606
"1559250"	387.048806	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+K-2H"	36.948606
"946768"	395.098394	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-H+HCOOH"	44.998194
"370456"	745.198601	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+HCOOH-H"	44.998201
"351425"	759.214251	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+Hac-H"	59.013851
"1499164"	409.114051	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Hac-H"	59.013851
"961237"	417.080351	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-H+NaCOOH"	66.980151
"117441"	385.069602	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+2Cl"	69.938804
"558094"	560.119702	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+2Cl"	69.938804
"1023976"	210.019502	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2Cl"	69.938804
"1243918"	429.019085	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Br"	78.918885
"1306000"	431.075072	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Cl+HCOOH"	80.974872
"1320091"	453.057029	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Cl+NaCOOH"	102.956829
"925499"	463.085786	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M-H+CF3COOH"	112.985586
"1294186"	499.062464	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Cl+CF3COOH"	148.962264
"1381828"	315.087524	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H-2H2O"	-35.012676
"1396048"	333.0975	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H-H2O"	-17.0027
"298513"	701.207676	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+H"	1.007276
"690587"	1051.307876	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+H"	1.007276
"1365595"	351.107476	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H"	1.007276
"132285"	351.107476	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+2H"	2.014552
"570752"	526.157576	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+2H"	2.014552
"1042101"	176.057376	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2H"	2.014552
"205015"	234.407409333333	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+3H"	3.021828
"645546"	351.107476	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+3H"	3.021828
"1166231"	117.707342666667	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+3H"	3.021828
"425243"	718.234223	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+NH4"	18.033823
"787580"	1068.334423	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+NH4"	18.033823
"1681843"	368.134023	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+NH4"	18.033823
"334010"	359.6207495	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+H+NH4"	19.041099
"724608"	534.6708495	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+H+NH4"	19.041099
"1479156"	184.5706495	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H+NH4"	19.041099
"393948"	723.189618	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+Na"	22.989218
"759934"	1073.289818	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+Na"	22.989218
"1604751"	373.089418	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Na"	22.989218
"314455"	362.098447	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+H+Na"	23.996494
"708662"	537.148547	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+H+Na"	23.996494
"1462116"	187.048347	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H+Na"	23.996494
"1054274"	125.034656666667	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2H+Na"	25.00377
"1257648"	383.133686	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+CH3OH+H"	33.033486
"378901"	739.163558	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+K"	38.963158
"740991"	1089.263758	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+K"	38.963158
"1546324"	389.063358	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+K"	38.963158
"305322"	370.085417	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+H+K"	39.970434
"698111"	545.135517	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+H+K"	39.970434
"1453026"	195.035317	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H+K"	39.970434
"244909"	742.234226	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+ACN+H"	42.033826
"1218714"	392.134026	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+ACN+H"	42.033826
"1200411"	196.570651	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+ACN+2H"	43.041102
"201299"	745.17156	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+2Na-H"	44.97116
"643415"	1095.27176	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+2Na-H"	44.97116
"1142908"	395.07136	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2Na-H"	44.97116
"185104"	373.089418	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+2Na"	45.978436
"624664"	548.139518	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+2Na"	45.978436
"1124891"	198.039318	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2Na"	45.978436
"1401127"	132.361970666667	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H+2Na"	46.985712
"1432881"	397.112946	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H+HCOOH"	47.012746
"222938"	378.12244	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+3H2O+2H"	56.04448
"1512095"	411.16499	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+IsoProp+H"	61.06479
"411415"	381.076388	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+Na+K"	61.952376
"771317"	556.126488	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+Na+K"	61.952376
"1669108"	206.026288	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Na+K"	61.952376
"255628"	764.216168	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+ACN+Na"	64.015768
"1229065"	414.115968	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+ACN+Na"	64.015768
"1716863"	414.139493	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+NH4+HCOOH"	64.039293
"1186592"	139.689284666667	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+3Na"	68.967654
"1654296"	419.094888	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Na+HCOOH"	68.994688
"158358"	777.11944	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+2K-H"	76.91904
"598404"	1127.21964	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+2K-H"	76.91904
"1085106"	427.01924	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2K-H"	76.91904
"143382"	389.063358	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"2M+2K"	77.926316
"581727"	564.113458	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"3M+2K"	77.926316
"1069274"	214.013258	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2K"	77.926316
"1101158"	429.033792	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2K+H"	78.933592
"1336688"	429.121407	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+DMSO+H"	79.021207
"1005699"	433.160576	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2ACN+H"	83.060376
"1524672"	434.154208	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+IsoProp+Na+H"	84.054008
"990642"	217.083926	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+2ACN+2H"	84.067652
"1600468"	435.068828	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+K+HCOOH"	84.968628
"1422119"	465.100338	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+H+CF3COOH"	115.000138
"1152406"	237.597201	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+3ACN+2H"	125.094202
"1706332"	482.126885	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+NH4+CF3COOH"	132.026685
"1644174"	487.08228	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+Na+CF3COOH"	136.98208
"1578731"	503.05622	"C19590"	"6-23-Dihydroxy-1-(hydroxymethyl)propyl-12-dihydro-7-hydroxy-9-methoxy-cyclopentac1benzopyran-34-dione"	"C17H18O8"	"350.1002"	"M+K+CF3COOH"	152.95602
"814567"	348.0845	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M"	0
"984454"	329.06611	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-H2O-H"	-19.01839
"73059"	231.049057333333	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M-3H"	-3.021828
"512620"	347.077224	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M-3H"	-3.021828
"893703"	115.020890666667	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-3H"	-3.021828
"11183"	347.077224	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M-2H"	-2.014552
"447463"	521.119474	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M-2H"	-2.014552
"830734"	173.034974	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-2H"	-2.014552
"91455"	695.161724	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M-H"	-1.007276
"533085"	1043.246224	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M-H"	-1.007276
"909061"	347.077224	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-H"	-1.007276
"61496"	712.188271	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M-2H+NH4"	16.019271
"499839"	1060.272771	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M-2H+NH4"	16.019271
"876544"	364.103771	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-2H+NH4"	16.019271
"40071"	717.143666	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M-2H+Na"	20.974666
"478544"	1065.228166	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M-2H+Na"	20.974666
"857441"	369.059166	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-2H+Na"	20.974666
"1628068"	369.059166	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Na-2H"	20.974666
"101313"	365.065563	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M-H+Cl"	33.962126
"538687"	539.107813	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M-H+Cl"	33.962126
"937304"	191.023313	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-H+Cl"	33.962126
"268570"	731.138402	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+Cl"	34.969402
"664274"	1079.222902	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+Cl"	34.969402
"1279958"	383.053902	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Cl"	34.969402
"23613"	733.117606	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M-2H+K"	36.948606
"460988"	1081.202106	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M-2H+K"	36.948606
"839153"	385.033106	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-2H+K"	36.948606
"1562277"	385.033106	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+K-2H"	36.948606
"945785"	393.082694	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-H+HCOOH"	44.998194
"369473"	741.167201	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+HCOOH-H"	44.998201
"351535"	755.182851	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+Hac-H"	59.013851
"1499638"	407.098351	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Hac-H"	59.013851
"961711"	415.064651	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-H+NaCOOH"	66.980151
"120833"	383.053902	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+2Cl"	69.938804
"557476"	557.096152	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+2Cl"	69.938804
"1024816"	209.011652	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2Cl"	69.938804
"1244028"	427.003385	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Br"	78.918885
"1306111"	429.059372	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Cl+HCOOH"	80.974872
"1320199"	451.041329	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Cl+NaCOOH"	102.956829
"925855"	461.070086	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M-H+CF3COOH"	112.985586
"1295389"	497.046764	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Cl+CF3COOH"	148.962264
"1380845"	313.071824	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H-2H2O"	-35.012676
"1397617"	331.0818	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H-H2O"	-17.0027
"298446"	697.176276	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+H"	1.007276
"690821"	1045.260776	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+H"	1.007276
"1364976"	349.091776	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H"	1.007276
"132395"	349.091776	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+2H"	2.014552
"571955"	523.134026	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+2H"	2.014552
"1041847"	175.049526	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2H"	2.014552
"206099"	233.063609333333	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+3H"	3.021828
"645295"	349.091776	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+3H"	3.021828
"1168527"	117.035442666667	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+3H"	3.021828
"426694"	714.202823	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+NH4"	18.033823
"788420"	1062.287323	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+NH4"	18.033823
"1684749"	366.118323	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+NH4"	18.033823
"334121"	357.6050495	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+H+NH4"	19.041099
"725813"	531.6472995	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+H+NH4"	19.041099
"1480361"	183.5627995	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H+NH4"	19.041099
"397948"	719.158218	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+Na"	22.989218
"755179"	1067.242718	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+Na"	22.989218
"1605953"	371.073718	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Na"	22.989218
"315500"	360.082747	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+H+Na"	23.996494
"709501"	534.124997	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+H+Na"	23.996494
"1463321"	186.040497	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H+Na"	23.996494
"1054384"	124.362756666667	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2H+Na"	25.00377
"1260434"	381.117986	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+CH3OH+H"	33.033486
"380470"	735.132158	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+K"	38.963158
"745476"	1083.216658	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+K"	38.963158
"1550082"	387.047658	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+K"	38.963158
"307985"	368.069717	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+H+K"	39.970434
"698221"	542.111967	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+H+K"	39.970434
"1454958"	194.027467	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H+K"	39.970434
"244658"	738.202826	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+ACN+H"	42.033826
"1222470"	390.118326	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+ACN+H"	42.033826
"1206717"	195.562801	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+ACN+2H"	43.041102
"201045"	741.14016	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+2Na-H"	44.97116
"641699"	1089.22466	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+2Na-H"	44.97116
"1145575"	393.05566	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2Na-H"	44.97116
"187406"	371.073718	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+2Na"	45.978436
"626234"	545.115968	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+2Na"	45.978436
"1127191"	197.031468	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2Na"	45.978436
"1403064"	131.690070666667	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H+2Na"	46.985712
"1431897"	395.097246	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H+HCOOH"	47.012746
"224871"	376.10674	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+3H2O+2H"	56.04448
"1511841"	409.14929	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+IsoProp+H"	61.06479
"410795"	379.060688	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+Na+K"	61.952376
"775804"	553.102938	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+Na+K"	61.952376
"1670313"	205.018438	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Na+K"	61.952376
"255738"	760.184768	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+ACN+Na"	64.015768
"1229908"	412.100268	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+ACN+Na"	64.015768
"1718069"	412.123793	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+NH4+HCOOH"	64.039293
"1187432"	139.017384666667	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+3Na"	68.967654
"1655500"	417.079188	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Na+HCOOH"	68.994688
"159080"	773.08804	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+2K-H"	76.91904
"597785"	1121.17254	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+2K-H"	76.91904
"1086435"	425.00354	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2K-H"	76.91904
"146531"	387.047658	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"2M+2K"	77.926316
"583903"	561.089908	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"3M+2K"	77.926316
"1069267"	213.005408	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2K"	77.926316
"1100167"	427.018092	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2K+H"	78.933592
"1337040"	427.105707	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+DMSO+H"	79.021207
"1005783"	431.144876	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2ACN+H"	83.060376
"1525519"	432.138508	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+IsoProp+Na+H"	84.054008
"990997"	216.076076	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+2ACN+2H"	84.067652
"1597659"	433.053128	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+K+HCOOH"	84.968628
"1422226"	463.084638	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+H+CF3COOH"	115.000138
"1153607"	236.589351	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+3ACN+2H"	125.094202
"1697696"	480.111185	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+NH4+CF3COOH"	132.026685
"1644284"	485.06658	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+Na+CF3COOH"	136.98208
"1578841"	501.04052	"C19591"	"1234-Tetrahydro-alpha7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-34-dioxocyclopentac1benzopyran-6-propanal"	"C17H16O8"	"348.0845"	"M+K+CF3COOH"	152.95602
"815287"	348.0845	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M"	0
"987116"	329.06611	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-H2O-H"	-19.01839
"72076"	231.049057333333	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M-3H"	-3.021828
"510544"	347.077224	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M-3H"	-3.021828
"888343"	115.020890666667	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-3H"	-3.021828
"6919"	347.077224	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M-2H"	-2.014552
"448665"	521.119474	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M-2H"	-2.014552
"822093"	173.034974	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-2H"	-2.014552
"85371"	695.161724	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M-H"	-1.007276
"527118"	1043.246224	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M-H"	-1.007276
"908198"	347.077224	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-H"	-1.007276
"58199"	712.188271	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M-2H+NH4"	16.019271
"497760"	1060.272771	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M-2H+NH4"	16.019271
"877381"	364.103771	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-2H+NH4"	16.019271
"40178"	717.143666	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M-2H+Na"	20.974666
"477553"	1065.228166	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M-2H+Na"	20.974666
"860831"	369.059166	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-2H+Na"	20.974666
"1627083"	369.059166	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Na-2H"	20.974666
"100329"	365.065563	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M-H+Cl"	33.962126
"540983"	539.107813	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M-H+Cl"	33.962126
"933404"	191.023313	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-H+Cl"	33.962126
"268072"	731.138402	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+Cl"	34.969402
"661104"	1079.222902	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+Cl"	34.969402
"1274601"	383.053902	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Cl"	34.969402
"16670"	733.117606	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M-2H+K"	36.948606
"457816"	1081.202106	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M-2H+K"	36.948606
"834522"	385.033106	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-2H+K"	36.948606
"1560199"	385.033106	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+K-2H"	36.948606
"943016"	393.082694	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-H+HCOOH"	44.998194
"363021"	741.167201	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+HCOOH-H"	44.998201
"346539"	755.182851	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+Hac-H"	59.013851
"1493224"	407.098351	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Hac-H"	59.013851
"960729"	415.064651	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-H+NaCOOH"	66.980151
"111218"	383.053902	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+2Cl"	69.938804
"550778"	557.096152	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+2Cl"	69.938804
"1021385"	209.011652	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2Cl"	69.938804
"1243407"	427.003385	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Br"	78.918885
"1306219"	429.059372	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Cl+HCOOH"	80.974872
"1320796"	451.041329	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Cl+NaCOOH"	102.956829
"926086"	461.070086	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M-H+CF3COOH"	112.985586
"1293313"	497.046764	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Cl+CF3COOH"	148.962264
"1380955"	313.071824	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H-2H2O"	-35.012676
"1397848"	331.0818	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H-H2O"	-17.0027
"298264"	697.176276	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+H"	1.007276
"690895"	1045.260776	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+H"	1.007276
"1363263"	349.091776	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H"	1.007276
"133598"	349.091776	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+2H"	2.014552
"572065"	523.134026	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+2H"	2.014552
"1039041"	175.049526	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2H"	2.014552
"206939"	233.063609333333	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+3H"	3.021828
"647593"	349.091776	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+3H"	3.021828
"1167544"	117.035442666667	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+3H"	3.021828
"427533"	714.202823	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+NH4"	18.033823
"790716"	1062.287323	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+NH4"	18.033823
"1688140"	366.118323	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+NH4"	18.033823
"338604"	357.6050495	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+H+NH4"	19.041099
"725922"	531.6472995	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+H+NH4"	19.041099
"1481565"	183.5627995	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H+NH4"	19.041099
"399153"	719.158218	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+Na"	22.989218
"759059"	1067.242718	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+Na"	22.989218
"1607157"	371.073718	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Na"	22.989218
"318285"	360.082747	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+H+Na"	23.996494
"711799"	534.124997	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+H+Na"	23.996494
"1466714"	186.040497	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H+Na"	23.996494
"1059961"	124.362756666667	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2H+Na"	25.00377
"1262731"	381.117986	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+CH3OH+H"	33.033486
"382402"	735.132158	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+K"	38.963158
"748866"	1083.216658	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+K"	38.963158
"1549825"	387.047658	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+K"	38.963158
"307002"	368.069717	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+H+K"	39.970434
"697239"	542.111967	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+H+K"	39.970434
"1454339"	194.027467	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H+K"	39.970434
"243309"	738.202826	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+ACN+H"	42.033826
"1224525"	390.118326	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+ACN+H"	42.033826
"1208895"	195.562801	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+ACN+2H"	43.041102
"202978"	741.14016	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+2Na-H"	44.97116
"643961"	1089.22466	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+2Na-H"	44.97116
"1145317"	393.05566	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2Na-H"	44.97116
"187518"	371.073718	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+2Na"	45.978436
"626955"	545.115968	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+2Na"	45.978436
"1129120"	197.031468	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2Na"	45.978436
"1406454"	131.690070666667	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H+2Na"	46.985712
"1437474"	395.097246	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H+HCOOH"	47.012746
"228263"	376.10674	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+3H2O+2H"	56.04448
"1519973"	409.14929	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+IsoProp+H"	61.06479
"420024"	379.060688	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+Na+K"	61.952376
"779194"	553.102938	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+Na+K"	61.952376
"1673340"	205.018438	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Na+K"	61.952376
"261318"	760.184768	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+ACN+Na"	64.015768
"1233663"	412.100268	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+ACN+Na"	64.015768
"1721094"	412.123793	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+NH4+HCOOH"	64.039293
"1189001"	139.017384666667	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+3Na"	68.967654
"1658890"	417.079188	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Na+HCOOH"	68.994688
"161376"	773.08804	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+2K-H"	76.91904
"597774"	1121.17254	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+2K-H"	76.91904
"1089823"	425.00354	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2K-H"	76.91904
"148826"	387.047658	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"2M+2K"	77.926316
"587293"	561.089908	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"3M+2K"	77.926316
"1070227"	213.005408	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2K"	77.926316
"1100642"	427.018092	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2K+H"	78.933592
"1336420"	427.105707	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+DMSO+H"	79.021207
"1006282"	431.144876	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2ACN+H"	83.060376
"1524649"	432.138508	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+IsoProp+Na+H"	84.054008
"990213"	216.076076	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+2ACN+2H"	84.067652
"1597769"	433.053128	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+K+HCOOH"	84.968628
"1422336"	463.084638	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+H+CF3COOH"	115.000138
"1153717"	236.589351	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+3ACN+2H"	125.094202
"1697806"	480.111185	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+NH4+CF3COOH"	132.026685
"1644394"	485.06658	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+Na+CF3COOH"	136.98208
"1578951"	501.04052	"C19592"	"alpha-(12-Dihydroxyethyl)-1234-tetrahydro-7-hydroxy-9-methoxy-34-dioxocyclopentac1benzopyran-6-acetaldehyde"	"C17H16O8"	"348.0845"	"M+K+CF3COOH"	152.95602
"806037"	344.0532	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M"	0
"987226"	325.03481	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-H2O-H"	-19.01839
"72186"	228.361524	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M-3H"	-3.021828
"507372"	343.045924	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M-3H"	-3.021828
"891734"	113.677124	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-3H"	-3.021828
"9217"	343.045924	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M-2H"	-2.014552
"448776"	515.072524	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M-2H"	-2.014552
"823299"	171.019324	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-2H"	-2.014552
"86572"	687.099124	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M-H"	-1.007276
"525040"	1031.152324	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M-H"	-1.007276
"905029"	343.045924	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-H"	-1.007276
"56125"	704.125671	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M-2H+NH4"	16.019271
"494591"	1048.178871	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M-2H+NH4"	16.019271
"870199"	360.072471	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-2H+NH4"	16.019271
"38101"	709.081066	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M-2H+Na"	20.974666
"476570"	1053.134266	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M-2H+Na"	20.974666
"859848"	365.027866	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-2H+Na"	20.974666
"1627193"	365.027866	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Na-2H"	20.974666
"102626"	361.034263	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M-H+Cl"	33.962126
"541093"	533.060863	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M-H+Cl"	33.962126
"933515"	189.007663	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-H+Cl"	33.962126
"270250"	723.075802	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+Cl"	34.969402
"669962"	1067.129002	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+Cl"	34.969402
"1274224"	379.022602	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Cl"	34.969402
"20549"	725.055006	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M-2H+K"	36.948606
"457926"	1069.108206	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M-2H+K"	36.948606
"835725"	381.001806	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-2H+K"	36.948606
"1562496"	381.001806	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+K-2H"	36.948606
"948190"	389.051394	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-H+HCOOH"	44.998194
"366414"	733.104601	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+HCOOH-H"	44.998201
"346165"	747.120251	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+Hac-H"	59.013851
"1496941"	403.067051	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Hac-H"	59.013851
"964121"	411.033351	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-H+NaCOOH"	66.980151
"112665"	379.022602	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+2Cl"	69.938804
"550153"	551.049202	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+2Cl"	69.938804
"1022237"	206.996002	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2Cl"	69.938804
"1242422"	422.972085	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Br"	78.918885
"1304871"	425.028072	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Cl+HCOOH"	80.974872
"1320907"	447.010029	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Cl+NaCOOH"	102.956829
"924371"	457.038786	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M-H+CF3COOH"	112.985586
"1292329"	493.015464	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Cl+CF3COOH"	148.962264
"1381793"	309.040524	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H-2H2O"	-35.012676
"1395648"	327.0505	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H-H2O"	-17.0027
"297765"	689.113676	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+H"	1.007276
"691233"	1033.166876	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+H"	1.007276
"1363009"	345.060476	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H"	1.007276
"127390"	345.060476	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+2H"	2.014552
"567802"	517.087076	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+2H"	2.014552
"1039515"	173.033876	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2H"	2.014552
"208142"	230.376076	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+3H"	3.021828
"647341"	345.060476	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+3H"	3.021828
"1165469"	115.691676	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+3H"	3.021828
"428737"	706.140223	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+NH4"	18.033823
"791920"	1050.193423	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+NH4"	18.033823
"1687159"	362.087023	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+NH4"	18.033823
"338716"	353.5737495	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+H+NH4"	19.041099
"730042"	525.6003495	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+H+NH4"	19.041099
"1482770"	181.5471495	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H+NH4"	19.041099
"401450"	711.095618	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+Na"	22.989218
"761356"	1055.148818	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+Na"	22.989218
"1607267"	367.042418	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Na"	22.989218
"318396"	356.051447	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+H+Na"	23.996494
"713004"	528.078047	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+H+Na"	23.996494
"1466825"	184.024847	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H+Na"	23.996494
"1058978"	123.01899	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2H+Na"	25.00377
"1262842"	377.086686	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+CH3OH+H"	33.033486
"385794"	727.069558	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+K"	38.963158
"747882"	1071.122758	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+K"	38.963158
"1549935"	383.016358	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+K"	38.963158
"307113"	364.038417	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+H+K"	39.970434
"699536"	536.065017	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+H+K"	39.970434
"1454450"	192.011817	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H+K"	39.970434
"243055"	730.140226	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+ACN+H"	42.033826
"1220138"	386.087026	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+ACN+H"	42.033826
"1208883"	193.547151	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+ACN+2H"	43.041102
"203454"	733.07756	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+2Na-H"	44.97116
"643504"	1077.13076	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+2Na-H"	44.97116
"1145428"	389.02436	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2Na-H"	44.97116
"187747"	367.042418	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+2Na"	45.978436
"627548"	539.069018	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+2Na"	45.978436
"1130327"	195.015818	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2Na"	45.978436
"1406564"	130.346304	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H+2Na"	46.985712
"1434304"	391.065946	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H+HCOOH"	47.012746
"228373"	372.07544	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+3H2O+2H"	56.04448
"1516435"	405.11799	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+IsoProp+H"	61.06479
"416122"	375.029388	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+Na+K"	61.952376
"776023"	547.055988	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+Na+K"	61.952376
"1672354"	203.002788	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Na+K"	61.952376
"258878"	752.122168	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+ACN+Na"	64.015768
"1233776"	408.068968	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+ACN+Na"	64.015768
"1724852"	408.092493	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+NH4+HCOOH"	64.039293
"1189841"	137.673618	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+3Na"	68.967654
"1659002"	413.047888	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Na+HCOOH"	68.994688
"160393"	765.02544	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+2K-H"	76.91904
"599953"	1109.07864	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+2K-H"	76.91904
"1089935"	420.97224	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2K-H"	76.91904
"148937"	383.016358	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"2M+2K"	77.926316
"585218"	555.042958	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"3M+2K"	77.926316
"1071918"	210.989758	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2K"	77.926316
"1100062"	422.986792	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2K+H"	78.933592
"1336773"	423.074407	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+DMSO+H"	79.021207
"1005946"	427.113576	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2ACN+H"	83.060376
"1524317"	428.107208	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+IsoProp+Na+H"	84.054008
"990120"	214.060426	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+2ACN+2H"	84.067652
"1588034"	429.021828	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+K+HCOOH"	84.968628
"1425726"	459.053338	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+H+CF3COOH"	115.000138
"1153827"	234.573701	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+3ACN+2H"	125.094202
"1697916"	476.079885	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+NH4+CF3COOH"	132.026685
"1635024"	481.03528	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+Na+CF3COOH"	136.98208
"1579061"	497.00922	"C19594"	"Aflatoxin-M1-89-epoxide"	"C17H12O8"	"344.0532"	"M+K+CF3COOH"	152.95602
"802867"	328.0583	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M"	0
"985148"	309.03991	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-H2O-H"	-19.01839
"73389"	217.698257333333	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M-3H"	-3.021828
"507481"	327.051024	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M-3H"	-3.021828
"891844"	108.345490666667	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-3H"	-3.021828
"10419"	327.051024	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M-2H"	-2.014552
"451074"	491.080174	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M-2H"	-2.014552
"825594"	163.021874	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-2H"	-2.014552
"86683"	655.109324	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M-H"	-1.007276
"526244"	983.167624	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M-H"	-1.007276
"902953"	327.051024	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-H"	-1.007276
"56235"	672.135871	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M-2H+NH4"	16.019271
"497982"	1000.194171	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M-2H+NH4"	16.019271
"875778"	344.077571	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-2H+NH4"	16.019271
"44045"	677.091266	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M-2H+Na"	20.974666
"475592"	1005.149566	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M-2H+Na"	20.974666
"856678"	349.032966	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-2H+Na"	20.974666
"1625117"	349.032966	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Na-2H"	20.974666
"101644"	345.039363	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M-H+Cl"	33.962126
"544483"	509.068513	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M-H+Cl"	33.962126
"935812"	181.010213	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-H+Cl"	33.962126
"272182"	691.086002	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+Cl"	34.969402
"670072"	1019.144302	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+Cl"	34.969402
"1275915"	363.027702	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Cl"	34.969402
"23939"	693.065206	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M-2H+K"	36.948606
"457182"	1021.123506	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M-2H+K"	36.948606
"835837"	365.006906	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-2H+K"	36.948606
"1560419"	365.006906	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+K-2H"	36.948606
"945022"	373.056494	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-H+HCOOH"	44.998194
"366524"	701.114801	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+HCOOH-H"	44.998201
"350044"	715.130451	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+Hac-H"	59.013851
"1496323"	387.072151	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Hac-H"	59.013851
"963138"	395.038451	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-H+NaCOOH"	66.980151
"112410"	363.027702	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+2Cl"	69.938804
"550752"	527.056852	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+2Cl"	69.938804
"1022468"	198.998552	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2Cl"	69.938804
"1242046"	406.977185	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Br"	78.918885
"1307897"	409.033172	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Cl+HCOOH"	80.974872
"1320774"	431.015129	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Cl+NaCOOH"	102.956829
"915732"	441.043886	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M-H+CF3COOH"	112.985586
"1290981"	477.020564	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Cl+CF3COOH"	148.962264
"1377164"	293.045624	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H-2H2O"	-35.012676
"1395028"	311.0556	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H-H2O"	-17.0027
"296901"	657.123876	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+H"	1.007276
"691324"	985.182176	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+H"	1.007276
"1363483"	329.065576	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H"	1.007276
"127622"	329.065576	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+2H"	2.014552
"567182"	493.094726	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+2H"	2.014552
"1039261"	165.036426	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2H"	2.014552
"208254"	219.712809333333	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+3H"	3.021828
"650732"	329.065576	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+3H"	3.021828
"1164486"	110.360042666667	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+3H"	3.021828
"429942"	674.150423	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+NH4"	18.033823
"789846"	1002.208723	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+NH4"	18.033823
"1687269"	346.092123	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+NH4"	18.033823
"334451"	337.5788495	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+H+NH4"	19.041099
"727966"	501.6079995	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+H+NH4"	19.041099
"1482880"	173.5496995	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H+NH4"	19.041099
"401560"	679.105818	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+Na"	22.989218
"759276"	1007.164118	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+Na"	22.989218
"1605190"	351.047518	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Na"	22.989218
"319599"	340.056547	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+H+Na"	23.996494
"709832"	504.085697	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+H+Na"	23.996494
"1464749"	176.027397	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H+Na"	23.996494
"1056900"	117.687356666667	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2H+Na"	25.00377
"1260768"	361.091786	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+CH3OH+H"	33.033486
"384810"	695.079758	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+K"	38.963158
"745805"	1023.138058	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+K"	38.963158
"1552235"	367.021458	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+K"	38.963158
"311597"	348.043517	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+H+K"	39.970434
"699649"	512.072667	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+H+K"	39.970434
"1456749"	184.014367	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H+K"	39.970434
"246446"	698.150426	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+ACN+H"	42.033826
"1221343"	370.092126	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+ACN+H"	42.033826
"1206684"	185.549701	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+ACN+2H"	43.041102
"201740"	701.08776	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+2Na-H"	44.97116
"643940"	1029.14606	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+2Na-H"	44.97116
"1144446"	373.02946	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2Na-H"	44.97116
"185182"	351.047518	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+2Na"	45.978436
"624376"	515.076668	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+2Na"	45.978436
"1127519"	187.018368	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2Na"	45.978436
"1402300"	125.014670666667	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H+2Na"	46.985712
"1431255"	375.071046	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H+HCOOH"	47.012746
"223015"	356.08054	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+3H2O+2H"	56.04448
"1511441"	389.12309	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+IsoProp+H"	61.06479
"416231"	359.034488	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+Na+K"	61.952376
"773949"	523.063638	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+Na+K"	61.952376
"1671375"	195.005338	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Na+K"	61.952376
"260810"	720.132368	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+ACN+Na"	64.015768
"1233886"	392.074068	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+ACN+Na"	64.015768
"1726059"	392.097593	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+NH4+HCOOH"	64.039293
"1191410"	132.341984666667	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+3Na"	68.967654
"1661302"	397.052988	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Na+HCOOH"	68.994688
"159408"	733.03564	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+2K-H"	76.91904
"604438"	1061.09394	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+2K-H"	76.91904
"1092232"	404.97734	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2K-H"	76.91904
"147956"	367.021458	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"2M+2K"	77.926316
"588611"	531.050608	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"3M+2K"	77.926316
"1081870"	202.992308	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2K"	77.926316
"1101471"	406.991892	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2K+H"	78.933592
"1342718"	407.079507	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+DMSO+H"	79.021207
"1009060"	411.118676	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2ACN+H"	83.060376
"1525485"	412.112308	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+IsoProp+Na+H"	84.054008
"990124"	206.062976	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+2ACN+2H"	84.067652
"1587409"	413.026928	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+K+HCOOH"	84.968628
"1416357"	443.058438	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+H+CF3COOH"	115.000138
"1155030"	226.576251	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+3ACN+2H"	125.094202
"1698026"	460.084985	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+NH4+CF3COOH"	132.026685
"1634770"	465.04038	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+Na+CF3COOH"	136.98208
"1579171"	481.01432	"C19595"	"Aflatoxin B1-endo-89-epoxide"	"C17H12O7"	"328.0583"	"M+K+CF3COOH"	152.95602
"808445"	137.0477	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M"	0
"988176"	118.02931	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H2O-H"	-19.01839
"74595"	90.3578573333333	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-3H"	-3.021828
"513063"	136.040424	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-3H"	-3.021828
"885396"	44.6752906666667	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-3H"	-3.021828
"5062"	136.040424	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H"	-2.014552
"446810"	204.564274	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H"	-2.014552
"824611"	67.516574	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H"	-2.014552
"85695"	273.088124	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-H"	-1.007276
"528537"	410.135824	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-H"	-1.007276
"905249"	136.040424	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H"	-1.007276
"60230"	290.114671	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H+NH4"	16.019271
"495900"	427.162371	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H+NH4"	16.019271
"875160"	153.066971	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H+NH4"	16.019271
"35773"	295.070066	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H+Na"	20.974666
"473518"	432.117766	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H+Na"	20.974666
"853506"	158.022366	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H+Na"	20.974666
"1621947"	158.022366	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na-2H"	20.974666
"97381"	154.028763	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-H+Cl"	33.962126
"536940"	222.552613	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-H+Cl"	33.962126
"933736"	85.504913	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+Cl"	33.962126
"271199"	309.064802	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Cl"	34.969402
"660828"	446.112502	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+Cl"	34.969402
"1276027"	172.017102	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl"	34.969402
"19679"	311.044006	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M-2H+K"	36.948606
"456404"	448.091706	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M-2H+K"	36.948606
"834126"	173.996306	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-2H+K"	36.948606
"1562716"	173.996306	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K-2H"	36.948606
"947324"	182.045894	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+HCOOH"	44.998194
"363348"	319.093601	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+HCOOH-H"	44.998201
"347601"	333.109251	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Hac-H"	59.013851
"1495341"	196.061551	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Hac-H"	59.013851
"967992"	204.027851	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+NaCOOH"	66.980151
"115439"	172.017102	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2Cl"	69.938804
"553176"	240.540952	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2Cl"	69.938804
"1023795"	103.493252	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2Cl"	69.938804
"1245560"	215.966585	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Br"	78.918885
"1305457"	218.022572	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl+HCOOH"	80.974872
"1329158"	240.004529	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl+NaCOOH"	102.956829
"916936"	250.033286	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M-H+CF3COOH"	112.985586
"1296928"	286.009964	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Cl+CF3COOH"	148.962264
"1378371"	102.035024	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H-2H2O"	-35.012676
"1392223"	120.045	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H-H2O"	-17.0027
"293731"	275.102676	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H"	1.007276
"687245"	412.150376	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H"	1.007276
"1360313"	138.054976	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H"	1.007276
"129557"	138.054976	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2H"	2.014552
"569116"	206.578826	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2H"	2.014552
"1038034"	69.531126	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2H"	2.014552
"208002"	92.3724093333333	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+3H"	3.021828
"645620"	138.054976	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+3H"	3.021828
"1165689"	46.6898426666667	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+3H"	3.021828
"427866"	292.129223	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+NH4"	18.033823
"791049"	429.176923	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+NH4"	18.033823
"1690659"	155.081523	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+NH4"	18.033823
"333835"	146.5682495	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H+NH4"	19.041099
"728076"	215.0920995	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H+NH4"	19.041099
"1482991"	78.0443995	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+NH4"	19.041099
"397662"	297.084618	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Na"	22.989218
"758294"	434.132318	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+Na"	22.989218
"1610765"	160.036918	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na"	22.989218
"319710"	149.045947	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H+Na"	23.996494
"711036"	217.569797	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H+Na"	23.996494
"1462673"	80.522097	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+Na"	23.996494
"1057011"	54.0171566666667	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2H+Na"	25.00377
"1260878"	170.081186	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+CH3OH+H"	33.033486
"384920"	313.058558	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+K"	38.963158
"745916"	450.106258	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+K"	38.963158
"1549062"	176.010858	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K"	38.963158
"305146"	157.032917	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+H+K"	39.970434
"700124"	225.556767	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+H+K"	39.970434
"1459050"	88.509067	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+K"	39.970434
"245465"	316.129226	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+ACN+H"	42.033826
"1223274"	179.081526	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+ACN+H"	42.033826
"1209715"	90.044401	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+ACN+2H"	43.041102
"201851"	319.06656	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2Na-H"	44.97116
"642506"	456.11426	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2Na-H"	44.97116
"1144676"	182.01886	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2Na-H"	44.97116
"183468"	160.036918	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2Na"	45.978436
"623030"	228.560768	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2Na"	45.978436
"1118887"	91.513068	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2Na"	45.978436
"1399612"	61.3444706666667	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+2Na"	46.985712
"1431365"	184.060446	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+HCOOH"	47.012746
"222152"	165.06994	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+3H2O+2H"	56.04448
"1511554"	198.11249	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+IsoProp+H"	61.06479
"411968"	168.023888	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+Na+K"	61.952376
"774060"	236.547738	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+Na+K"	61.952376
"1677319"	99.500038	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na+K"	61.952376
"259099"	338.111168	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+ACN+Na"	64.015768
"1238369"	201.063468	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+ACN+Na"	64.015768
"1723974"	201.086993	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+NH4+HCOOH"	64.039293
"1190423"	68.6717846666667	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+3Na"	68.967654
"1654845"	206.042388	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na+HCOOH"	68.994688
"160614"	351.01444	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2K-H"	76.91904
"604549"	488.06214	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2K-H"	76.91904
"1092343"	213.96674	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2K-H"	76.91904
"148066"	176.010858	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"2M+2K"	77.926316
"590907"	244.534708	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"3M+2K"	77.926316
"1070317"	107.487008	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2K"	77.926316
"1100973"	215.981292	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2K+H"	78.933592
"1338456"	216.068907	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+DMSO+H"	79.021207
"1008079"	220.108076	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2ACN+H"	83.060376
"1528395"	221.101708	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+IsoProp+Na+H"	84.054008
"992656"	110.557676	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+2ACN+2H"	84.067652
"1601380"	222.016328	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K+HCOOH"	84.968628
"1418291"	252.047838	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+H+CF3COOH"	115.000138
"1149679"	131.070951	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+3ACN+2H"	125.094202
"1698138"	269.074385	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+NH4+CF3COOH"	132.026685
"1648006"	274.02978	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+Na+CF3COOH"	136.98208
"1579282"	290.00372	"C19597"	"2-Nitrotoluene"	"C7H7NO2"	"137.0477"	"M+K+CF3COOH"	152.95602
"809650"	171.0152	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M"	0
"983182"	151.99681	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-H2O-H"	-19.01839
"72518"	113.002857333333	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M-3H"	-3.021828
"510984"	170.007924	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M-3H"	-3.021828
"881132"	55.9977906666667	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-3H"	-3.021828
"9546"	170.007924	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M-2H"	-2.014552
"446919"	255.515524	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M-2H"	-2.014552
"826908"	84.500324	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-2H"	-2.014552
"85805"	341.023124	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M-H"	-1.007276
"526459"	512.038324	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M-H"	-1.007276
"904262"	170.007924	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-H"	-1.007276
"53168"	358.049671	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M-2H+NH4"	16.019271
"491637"	529.064871	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M-2H+NH4"	16.019271
"868348"	187.034471	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-2H+NH4"	16.019271
"38443"	363.005066	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M-2H+Na"	20.974666
"479097"	534.020266	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M-2H+Na"	20.974666
"849286"	191.989866	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-2H+Na"	20.974666
"1622060"	191.989866	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Na-2H"	20.974666
"95670"	187.996263	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M-H+Cl"	33.962126
"535959"	273.503863	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M-H+Cl"	33.962126
"932753"	102.488663	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-H+Cl"	33.962126
"268152"	376.999802	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+Cl"	34.969402
"667013"	548.015002	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+Cl"	34.969402
"1274196"	205.984602	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Cl"	34.969402
"17971"	378.979006	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M-2H+K"	36.948606
"458261"	549.994206	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M-2H+K"	36.948606
"833383"	207.963806	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-2H+K"	36.948606
"1555821"	207.963806	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+K-2H"	36.948606
"945251"	216.013394	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-H+HCOOH"	44.998194
"362485"	387.028601	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+HCOOH-H"	44.998201
"346985"	401.044251	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+Hac-H"	59.013851
"1504209"	230.029051	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Hac-H"	59.013851
"963729"	237.995351	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-H+NaCOOH"	66.980151
"117010"	205.984602	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+2Cl"	69.938804
"555111"	291.492202	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+2Cl"	69.938804
"1021590"	120.477002	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2Cl"	69.938804
"1244583"	249.934085	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Br"	78.918885
"1313962"	251.990072	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Cl+HCOOH"	80.974872
"1331459"	273.972029	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Cl+NaCOOH"	102.956829
"922517"	284.000786	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M-H+CF3COOH"	112.985586
"1302146"	319.977464	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Cl+CF3COOH"	148.962264
"1381888"	136.002524	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H-2H2O"	-35.012676
"1396709"	154.0125	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H-H2O"	-17.0027
"294570"	343.037676	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+H"	1.007276
"681524"	514.052876	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+H"	1.007276
"1360788"	172.022476	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H"	1.007276
"135500"	172.022476	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+2H"	2.014552
"567041"	257.530076	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+2H"	2.014552
"1045682"	86.514876	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2H"	2.014552
"205319"	115.017409333333	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+3H"	3.021828
"646582"	172.022476	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+3H"	3.021828
"1163368"	58.0123426666667	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+3H"	3.021828
"430167"	360.064223	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+NH4"	18.033823
"791162"	531.079423	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+NH4"	18.033823
"1684211"	189.049023	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+NH4"	18.033823
"335767"	180.5357495	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+H+NH4"	19.041099
"731467"	266.0433495	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+H+NH4"	19.041099
"1482010"	95.0281495	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H+NH4"	19.041099
"397409"	365.019618	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+Na"	22.989218
"758406"	536.034818	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+Na"	22.989218
"1610875"	194.004418	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Na"	22.989218
"322005"	183.013447	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+H+Na"	23.996494
"713333"	268.521047	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+H+Na"	23.996494
"1463511"	97.505847	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H+Na"	23.996494
"1058215"	65.3396566666667	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2H+Na"	25.00377
"1265361"	204.048686	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+CH3OH+H"	33.033486
"387217"	380.993558	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+K"	38.963158
"746026"	552.008758	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+K"	38.963158
"1548080"	209.978358	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+K"	38.963158
"304161"	191.000417	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+H+K"	39.970434
"702060"	276.508017	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+H+K"	39.970434
"1455882"	105.492817	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H+K"	39.970434
"242295"	384.064226	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+ACN+H"	42.033826
"1218283"	213.049026	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+ACN+H"	42.033826
"1204356"	107.028151	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+ACN+2H"	43.041102
"201598"	387.00156	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+2Na-H"	44.97116
"642982"	558.01676	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+2Na-H"	44.97116
"1144662"	215.98636	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2Na-H"	44.97116
"181393"	194.004418	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+2Na"	45.978436
"613462"	279.512018	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+2Na"	45.978436
"1116317"	108.496818	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2Na"	45.978436
"1398830"	72.6669706666667	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H+2Na"	46.985712
"1431349"	218.027946	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H+HCOOH"	47.012746
"222147"	199.03744	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+3H2O+2H"	56.04448
"1512398"	232.07999	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+IsoProp+H"	61.06479
"414271"	201.991388	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+Na+K"	61.952376
"779640"	287.498988	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+Na+K"	61.952376
"1672690"	116.483788	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Na+K"	61.952376
"260303"	406.046168	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+ACN+Na"	64.015768
"1237021"	235.030968	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+ACN+Na"	64.015768
"1717521"	235.054493	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+NH4+HCOOH"	64.039293
"1187254"	79.9942846666667	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+3Na"	68.967654
"1658240"	240.009888	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Na+HCOOH"	68.994688
"161821"	418.94944	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+2K-H"	76.91904
"603567"	589.96464	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+2K-H"	76.91904
"1088081"	247.93424	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2K-H"	76.91904
"152550"	209.978358	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"2M+2K"	77.926316
"583369"	295.485958	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"3M+2K"	77.926316
"1070067"	124.470758	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2K"	77.926316
"1104374"	249.948792	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2K+H"	78.933592
"1339664"	250.036407	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+DMSO+H"	79.021207
"1009286"	254.075576	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2ACN+H"	83.060376
"1527417"	255.069208	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+IsoProp+Na+H"	84.054008
"997146"	127.541426	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+2ACN+2H"	84.067652
"1598210"	255.983828	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+K+HCOOH"	84.968628
"1414517"	286.015338	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+H+CF3COOH"	115.000138
"1147602"	148.054701	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+3ACN+2H"	125.094202
"1698613"	303.041885	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+NH4+CF3COOH"	132.026685
"1639367"	307.99728	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+Na+CF3COOH"	136.98208
"1576111"	323.97122	"C19599"	"Sodium diethyldithiocarbamate;Ditiocarb sodium"	"C5H10NS2Na"	"171.0152"	"M+K+CF3COOH"	152.95602
"806479"	314.0103	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M"	0
"985479"	294.99191	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-H2O-H"	-19.01839
"72628"	208.332924	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M-3H"	-3.021828
"510001"	313.003024	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M-3H"	-3.021828
"884522"	103.662824	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-3H"	-3.021828
"8562"	313.003024	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M-2H"	-2.014552
"443748"	470.008174	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M-2H"	-2.014552
"824830"	155.997874	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-2H"	-2.014552
"87008"	627.013324	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M-H"	-1.007276
"527662"	941.023624	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M-H"	-1.007276
"902183"	313.003024	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-H"	-1.007276
"56558"	644.039871	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M-2H+NH4"	16.019271
"491747"	958.050171	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M-2H+NH4"	16.019271
"867365"	330.029571	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-2H+NH4"	16.019271
"40740"	648.995266	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M-2H+Na"	20.974666
"481394"	963.005566	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M-2H+Na"	20.974666
"854823"	334.984966	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-2H+Na"	20.974666
"1627637"	334.984966	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Na-2H"	20.974666
"97602"	330.991363	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M-H+Cl"	33.962126
"539350"	487.996513	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M-H+Cl"	33.962126
"931771"	173.986213	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-H+Cl"	33.962126
"270329"	662.990002	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+Cl"	34.969402
"669310"	977.000302	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+Cl"	34.969402
"1276251"	348.979702	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Cl"	34.969402
"18809"	664.969206	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M-2H+K"	36.948606
"458004"	978.979506	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M-2H+K"	36.948606
"834469"	350.958906	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-2H+K"	36.948606
"1556255"	350.958906	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+K-2H"	36.948606
"945725"	359.008494	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-H+HCOOH"	44.998194
"362474"	673.018801	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+HCOOH-H"	44.998201
"347823"	687.034451	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+Hac-H"	59.013851
"1504684"	373.024151	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Hac-H"	59.013851
"963839"	380.990451	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-H+NaCOOH"	66.980151
"118213"	348.979702	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+2Cl"	69.938804
"554857"	505.984852	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+2Cl"	69.938804
"1024017"	191.974552	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2Cl"	69.938804
"1245786"	392.929185	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Br"	78.918885
"1312979"	394.985172	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Cl+HCOOH"	80.974872
"1331569"	416.967129	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Cl+NaCOOH"	102.956829
"920441"	426.995886	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M-H+CF3COOH"	112.985586
"1304080"	462.972564	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Cl+CF3COOH"	148.962264
"1379689"	278.997624	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H-2H2O"	-35.012676
"1397548"	297.0076	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H-H2O"	-17.0027
"293587"	629.027876	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+H"	1.007276
"681634"	943.038176	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+H"	1.007276
"1357982"	315.017576	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H"	1.007276
"135974"	315.017576	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+2H"	2.014552
"570431"	472.022726	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+2H"	2.014552
"1045792"	158.012426	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2H"	2.014552
"208225"	210.347476	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+3H"	3.021828
"647786"	315.017576	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+3H"	3.021828
"1167005"	105.677376	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+3H"	3.021828
"429184"	646.054423	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+NH4"	18.033823
"795646"	960.064723	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+NH4"	18.033823
"1686507"	332.044123	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+NH4"	18.033823
"334787"	323.5308495	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+H+NH4"	19.041099
"730486"	480.5359995	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+H+NH4"	19.041099
"1483213"	166.5256995	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H+NH4"	19.041099
"396789"	651.009818	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+Na"	22.989218
"756085"	965.020118	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+Na"	22.989218
"1607706"	336.999518	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Na"	22.989218
"321022"	326.008547	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+H+Na"	23.996494
"713444"	483.013697	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+H+Na"	23.996494
"1466170"	169.003397	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H+Na"	23.996494
"1056501"	113.00469	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2H+Na"	25.00377
"1258911"	347.043786	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+CH3OH+H"	33.033486
"381859"	666.983758	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+K"	38.963158
"748324"	980.994058	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+K"	38.963158
"1548189"	352.973458	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+K"	38.963158
"302449"	333.995517	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+H+K"	39.970434
"695602"	491.000667	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+H+K"	39.970434
"1458178"	176.990367	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H+K"	39.970434
"245685"	670.054426	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+ACN+H"	42.033826
"1217300"	356.044126	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+ACN+H"	42.033826
"1206652"	178.525701	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+ACN+2H"	43.041102
"201708"	672.99176	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+2Na-H"	44.97116
"642849"	987.00206	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+2Na-H"	44.97116
"1144773"	358.98146	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2Na-H"	44.97116
"181502"	336.999518	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+2Na"	45.978436
"613534"	494.004668	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+2Na"	45.978436
"1116429"	179.994368	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2Na"	45.978436
"1399712"	120.332004	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H+2Na"	46.985712
"1430851"	361.023046	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H+HCOOH"	47.012746
"221163"	342.03254	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+3H2O+2H"	56.04448
"1510318"	375.07509	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+IsoProp+H"	61.06479
"413287"	344.986488	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+Na+K"	61.952376
"774282"	501.991638	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+Na+K"	61.952376
"1669520"	187.981338	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Na+K"	61.952376
"261506"	692.036368	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+ACN+Na"	64.015768
"1238588"	378.026068	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+ACN+Na"	64.015768
"1717631"	378.049593	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+NH4+HCOOH"	64.039293
"1188457"	127.659318	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+3Na"	68.967654
"1655070"	383.004988	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Na+HCOOH"	68.994688
"161931"	704.93964	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+2K-H"	76.91904
"603676"	1018.94994	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+2K-H"	76.91904
"1092563"	390.92934	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2K-H"	76.91904
"151567"	352.973458	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"2M+2K"	77.926316
"584207"	509.978608	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"3M+2K"	77.926316
"1071998"	195.968308	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2K"	77.926316
"1102661"	392.943892	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2K+H"	78.933592
"1340867"	393.031507	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+DMSO+H"	79.021207
"1009396"	397.070676	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2ACN+H"	83.060376
"1527527"	398.064308	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+IsoProp+Na+H"	84.054008
"997256"	199.038976	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+2ACN+2H"	84.067652
"1589936"	398.978928	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+K+HCOOH"	84.968628
"1414627"	429.010438	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+H+CF3COOH"	115.000138
"1147140"	219.552251	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+3ACN+2H"	125.094202
"1698480"	446.036985	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+NH4+CF3COOH"	132.026685
"1641664"	450.99238	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+Na+CF3COOH"	136.98208
"1576221"	466.96632	"C19600"	"Calcium salicylate"	"C14H10CaO6"	"314.0103"	"M+K+CF3COOH"	152.95602
"802214"	400.092	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M"	0
"982309"	381.07361	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-H2O-H"	-19.01839
"71645"	265.720724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M-3H"	-3.021828
"507924"	399.084724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M-3H"	-3.021828
"885725"	132.356724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-3H"	-3.021828
"6485"	399.084724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M-2H"	-2.014552
"444953"	599.130724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M-2H"	-2.014552
"822752"	199.038724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-2H"	-2.014552
"83839"	799.176724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M-H"	-1.007276
"527774"	1199.268724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M-H"	-1.007276
"900472"	399.084724	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-H"	-1.007276
"51565"	816.203271	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M-2H+NH4"	16.019271
"492951"	1216.295271	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M-2H+NH4"	16.019271
"871848"	416.111271	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-2H+NH4"	16.019271
"33437"	821.158666	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M-2H+Na"	20.974666
"481504"	1221.250666	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M-2H+Na"	20.974666
"854933"	421.066666	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-2H+Na"	20.974666
"1628840"	421.066666	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Na-2H"	20.974666
"97713"	417.073063	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M-H+Cl"	33.962126
"542740"	617.119063	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M-H+Cl"	33.962126
"934068"	217.027063	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-H+Cl"	33.962126
"273719"	835.153402	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+Cl"	34.969402
"668327"	1235.245402	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+Cl"	34.969402
"1275267"	435.061402	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Cl"	34.969402
"18191"	837.132606	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M-2H+K"	36.948606
"458479"	1237.224606	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M-2H+K"	36.948606
"834090"	437.040606	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-2H+K"	36.948606
"1556489"	437.040606	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+K-2H"	36.948606
"946199"	445.090194	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-H+HCOOH"	44.998194
"364407"	845.182201	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+HCOOH-H"	44.998201
"347204"	859.197851	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+Hac-H"	59.013851
"1502971"	459.105851	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Hac-H"	59.013851
"962855"	467.072151	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-H+NaCOOH"	66.980151
"114313"	435.061402	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+2Cl"	69.938804
"555330"	635.107402	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+2Cl"	69.938804
"1027409"	235.015402	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2Cl"	69.938804
"1242615"	479.010885	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Br"	78.918885
"1313089"	481.066872	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Cl+HCOOH"	80.974872
"1329492"	503.048829	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Cl+NaCOOH"	102.956829
"922737"	513.077586	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M-H+CF3COOH"	112.985586
"1303218"	549.054264	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Cl+CF3COOH"	148.962264
"1379799"	365.079324	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H-2H2O"	-35.012676
"1398023"	383.0893	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H-H2O"	-17.0027
"296978"	801.191276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+H"	1.007276
"681744"	1201.283276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+H"	1.007276
"1361373"	401.099276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H"	1.007276
"135356"	401.099276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+2H"	2.014552
"573822"	601.145276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+2H"	2.014552
"1045902"	201.053276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2H"	2.014552
"212711"	267.735276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+3H"	3.021828
"648990"	401.099276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+3H"	3.021828
"1163956"	134.371276	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+3H"	3.021828
"429294"	818.217823	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+NH4"	18.033823
"787130"	1218.309823	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+NH4"	18.033823
"1685525"	418.125823	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+NH4"	18.033823
"337081"	409.6125495	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+H+NH4"	19.041099
"729502"	609.6585495	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+H+NH4"	19.041099
"1482230"	209.5665495	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H+NH4"	19.041099
"394354"	823.173218	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+Na"	22.989218
"754982"	1223.265218	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+Na"	22.989218
"1604540"	423.081218	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Na"	22.989218
"318945"	412.090247	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+H+Na"	23.996494
"709179"	612.136247	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+H+Na"	23.996494
"1465191"	212.044247	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H+Na"	23.996494
"1061716"	141.69859	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2H+Na"	25.00377
"1266675"	433.125486	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+CH3OH+H"	33.033486
"386343"	839.147158	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+K"	38.963158
"744059"	1239.239158	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+K"	38.963158
"1546115"	439.055158	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+K"	38.963158
"303652"	420.077217	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+H+K"	39.970434
"695714"	620.123217	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+H+K"	39.970434
"1458288"	220.031217	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H+K"	39.970434
"243608"	842.217826	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+ACN+H"	42.033826
"1222878"	442.125826	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+ACN+H"	42.033826
"1206762"	221.566551	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+ACN+2H"	43.041102
"200724"	845.15516	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+2Na-H"	44.97116
"642470"	1245.24716	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+2Na-H"	44.97116
"1145614"	445.06316	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2Na-H"	44.97116
"182705"	423.081218	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+2Na"	45.978436
"613765"	623.127218	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+2Na"	45.978436
"1117151"	223.035218	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2Na"	45.978436
"1401647"	149.025904	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H+2Na"	46.985712
"1431574"	447.104746	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H+HCOOH"	47.012746
"225645"	428.11424	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+3H2O+2H"	56.04448
"1515900"	461.15679	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+IsoProp+H"	61.06479
"415586"	431.068188	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+Na+K"	61.952376
"774392"	631.114188	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+Na+K"	61.952376
"1669630"	231.022188	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Na+K"	61.952376
"258338"	864.199768	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+ACN+Na"	64.015768
"1235419"	464.107768	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+ACN+Na"	64.015768
"1722115"	464.131293	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+NH4+HCOOH"	64.039293
"1187474"	156.353218	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+3Na"	68.967654
"1656273"	469.086688	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Na+HCOOH"	68.994688
"160582"	877.10304	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+2K-H"	76.91904
"602693"	1277.19504	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+2K-H"	76.91904
"1092673"	477.01104	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2K-H"	76.91904
"152771"	439.055158	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"2M+2K"	77.926316
"583588"	639.101158	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"3M+2K"	77.926316
"1071380"	239.009158	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2K"	77.926316
"1103499"	479.025592	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2K+H"	78.933592
"1338422"	479.113207	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+DMSO+H"	79.021207
"1007684"	483.152376	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2ACN+H"	83.060376
"1527637"	484.146008	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+IsoProp+Na+H"	84.054008
"992262"	242.079826	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+2ACN+2H"	84.067652
"1587493"	485.060628	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+K+HCOOH"	84.968628
"1414203"	515.092138	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+H+CF3COOH"	115.000138
"1147822"	262.593101	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+3ACN+2H"	125.094202
"1700654"	532.118685	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+NH4+CF3COOH"	132.026685
"1641774"	537.07408	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+Na+CF3COOH"	136.98208
"1573051"	553.04802	"C19601"	"Theobromine calcium salt;37-Dihydro-37-dimethyl-1H-purine-26-dione calcium salt"	"(C7H8N4O2)2Ca"	"400.092"	"M+K+CF3COOH"	152.95602
"809980"	223.0957	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M"	0
"986793"	204.07731	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-H2O-H"	-19.01839
"71755"	147.723190666667	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M-3H"	-3.021828
"513503"	222.088424	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M-3H"	-3.021828
"890209"	73.3579573333333	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-3H"	-3.021828
"3316"	222.088424	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M-2H"	-2.014552
"447250"	333.636274	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M-2H"	-2.014552
"828332"	110.540574	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-2H"	-2.014552
"86137"	445.184124	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M-H"	-1.007276
"531165"	668.279824	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M-H"	-1.007276
"904592"	222.088424	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-H"	-1.007276
"57873"	462.210671	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M-2H+NH4"	16.019271
"491968"	685.306371	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M-2H+NH4"	16.019271
"874144"	239.114971	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-2H+NH4"	16.019271
"42053"	467.166066	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M-2H+Na"	20.974666
"482707"	690.261766	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M-2H+Na"	20.974666
"861604"	244.070366	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-2H+Na"	20.974666
"1631138"	244.070366	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Na-2H"	20.974666
"100011"	240.076763	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M-H+Cl"	33.962126
"539570"	351.624613	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M-H+Cl"	33.962126
"931992"	128.528913	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-H+Cl"	33.962126
"277109"	481.160802	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+Cl"	34.969402
"668437"	704.256502	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+Cl"	34.969402
"1275377"	258.065102	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Cl"	34.969402
"18301"	483.140006	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M-2H+K"	36.948606
"464060"	706.235706	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M-2H+K"	36.948606
"836756"	260.044306	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-2H+K"	36.948606
"1560247"	260.044306	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+K-2H"	36.948606
"948862"	268.093894	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-H+HCOOH"	44.998194
"364154"	491.189601	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+HCOOH-H"	44.998201
"347314"	505.205251	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+Hac-H"	59.013851
"1503081"	282.109551	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Hac-H"	59.013851
"969899"	290.075851	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-H+NaCOOH"	66.980151
"117343"	258.065102	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+2Cl"	69.938804
"554716"	369.612952	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+2Cl"	69.938804
"1023510"	146.517252	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2Cl"	69.938804
"1244913"	302.014585	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Br"	78.918885
"1317574"	304.070572	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Cl+HCOOH"	80.974872
"1328509"	326.052529	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Cl+NaCOOH"	102.956829
"920661"	336.081286	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M-H+CF3COOH"	112.985586
"1303211"	372.057964	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Cl+CF3COOH"	148.962264
"1381005"	188.083024	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H-2H2O"	-35.012676
"1395219"	206.093	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H-H2O"	-17.0027
"297454"	447.198676	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+H"	1.007276
"685136"	670.294376	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+H"	1.007276
"1364401"	224.102976	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H"	1.007276
"138747"	224.102976	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+2H"	2.014552
"573933"	335.650826	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+2H"	2.014552
"1042732"	112.555126	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2H"	2.014552
"211729"	149.737742666667	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+3H"	3.021828
"649100"	224.102976	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+3H"	3.021828
"1165039"	75.3725093333333	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+3H"	3.021828
"428310"	464.225223	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+NH4"	18.033823
"789305"	687.320923	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+NH4"	18.033823
"1685634"	241.129523	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+NH4"	18.033823
"336098"	232.6162495	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+H+NH4"	19.041099
"729612"	344.1640995	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+H+NH4"	19.041099
"1480153"	121.0683995	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H+NH4"	19.041099
"395921"	469.180618	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+Na"	22.989218
"754727"	692.276318	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+Na"	22.989218
"1605744"	246.084918	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Na"	22.989218
"320149"	235.093947	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+H+Na"	23.996494
"713663"	346.641797	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+H+Na"	23.996494
"1466394"	123.546097	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H+Na"	23.996494
"1060732"	82.6998233333333	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2H+Na"	25.00377
"1259128"	256.129186	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+CH3OH+H"	33.033486
"383172"	485.154558	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+K"	38.963158
"748543"	708.250258	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+K"	38.963158
"1549503"	262.058858	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+K"	38.963158
"303403"	243.080917	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+H+K"	39.970434
"696919"	354.628767	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+H+K"	39.970434
"1451836"	131.533067	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H+K"	39.970434
"246997"	488.225226	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+ACN+H"	42.033826
"1223353"	265.129526	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+ACN+H"	42.033826
"1207965"	133.068401	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+ACN+2H"	43.041102
"199741"	491.16256	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+2Na-H"	44.97116
"640393"	714.25826	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+2Na-H"	44.97116
"1144992"	268.06686	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2Na-H"	44.97116
"180629"	246.084918	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+2Na"	45.978436
"623478"	357.632768	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+2Na"	45.978436
"1123705"	134.537068	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2Na"	45.978436
"1402852"	90.0271373333333	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H+2Na"	46.985712
"1432292"	270.108446	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H+HCOOH"	47.012746
"225755"	251.11794	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+3H2O+2H"	56.04448
"1516009"	284.16049	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+IsoProp+H"	61.06479
"417883"	254.071888	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+Na+K"	61.952376
"776688"	365.619738	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+Na+K"	61.952376
"1670835"	142.524038	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Na+K"	61.952376
"260632"	510.207168	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+ACN+Na"	64.015768
"1234435"	287.111468	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+ACN+Na"	64.015768
"1723321"	287.134993	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+NH4+HCOOH"	64.039293
"1187585"	97.3544513333333	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+3Na"	68.967654
"1656387"	292.090388	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Na+HCOOH"	68.994688
"161061"	523.11044	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+2K-H"	76.91904
"601713"	746.20614	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+2K-H"	76.91904
"1088412"	300.01474	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2K-H"	76.91904
"143164"	262.058858	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"2M+2K"	77.926316
"583332"	373.606708	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"3M+2K"	77.926316
"1072586"	150.511008	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2K"	77.926316
"1103241"	302.029292	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2K+H"	78.933592
"1343274"	302.116907	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+DMSO+H"	79.021207
"1010708"	306.156076	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2ACN+H"	83.060376
"1527747"	307.149708	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+IsoProp+Na+H"	84.054008
"997476"	153.581676	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+2ACN+2H"	84.067652
"1591979"	308.064328	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+K+HCOOH"	84.968628
"1414444"	338.095838	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+H+CF3COOH"	115.000138
"1147933"	174.094951	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+3ACN+2H"	125.094202
"1700765"	355.122385	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+NH4+CF3COOH"	132.026685
"1641883"	360.07778	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+Na+CF3COOH"	136.98208
"1583001"	376.05172	"C19602"	"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone;NNK-N-oxide"	"C10H13N3O3"	"223.0957"	"M+K+CF3COOH"	152.95602
"803528"	225.1113	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M"	0
"980340"	206.09291	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-H2O-H"	-19.01839
"74051"	149.066924	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M-3H"	-3.021828
"512518"	224.104024	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M-3H"	-3.021828
"889225"	74.029824	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-3H"	-3.021828
"4520"	224.104024	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M-2H"	-2.014552
"441894"	336.659674	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M-2H"	-2.014552
"822975"	111.548374	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-2H"	-2.014552
"82967"	449.215324	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M-H"	-1.007276
"529088"	674.326624	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M-H"	-1.007276
"899236"	224.104024	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-H"	-1.007276
"49599"	466.241871	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M-2H+NH4"	16.019271
"488793"	691.353171	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M-2H+NH4"	16.019271
"867693"	241.130571	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-2H+NH4"	16.019271
"39976"	471.197266	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M-2H+Na"	20.974666
"483910"	696.308566	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M-2H+Na"	20.974666
"861350"	246.085966	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-2H+Na"	20.974666
"1631977"	246.085966	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Na-2H"	20.974666
"96841"	242.092363	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M-H+Cl"	33.962126
"536399"	354.648013	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M-H+Cl"	33.962126
"931009"	129.536713	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-H+Cl"	33.962126
"270659"	485.192002	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+Cl"	34.969402
"664538"	710.303302	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+Cl"	34.969402
"1274394"	260.080702	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Cl"	34.969402
"23513"	487.171206	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M-2H+K"	36.948606
"466357"	712.282506	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M-2H+K"	36.948606
"839782"	262.059906	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-2H+K"	36.948606
"1559993"	262.059906	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+K-2H"	36.948606
"946415"	270.109494	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-H+HCOOH"	44.998194
"367187"	495.220801	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+HCOOH-H"	44.998201
"350340"	509.236451	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+Hac-H"	59.013851
"1504284"	284.125151	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Hac-H"	59.013851
"970733"	292.091451	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-H+NaCOOH"	66.980151
"116359"	260.080702	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+2Cl"	69.938804
"553731"	372.636352	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+2Cl"	69.938804
"1025445"	147.525052	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2Cl"	69.938804
"1247575"	304.030185	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Br"	78.918885
"1317320"	306.086172	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Cl+HCOOH"	80.974872
"1328619"	328.068129	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Cl+NaCOOH"	102.956829
"919678"	338.096886	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M-H+CF3COOH"	112.985586
"1302591"	374.073564	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Cl+CF3COOH"	148.962264
"1380386"	190.098624	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H-2H2O"	-35.012676
"1396422"	208.1086	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H-H2O"	-17.0027
"297201"	451.229876	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+H"	1.007276
"686339"	676.341176	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+H"	1.007276
"1365605"	226.118576	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H"	1.007276
"137764"	226.118576	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+2H"	2.014552
"576230"	338.674226	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+2H"	2.014552
"1047215"	113.562926	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2H"	2.014552
"214026"	151.081476	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+3H"	3.021828
"650303"	226.118576	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+3H"	3.021828
"1167336"	76.044376	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+3H"	3.021828
"429513"	468.256423	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+NH4"	18.033823
"789416"	693.367723	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+NH4"	18.033823
"1683557"	243.145123	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+NH4"	18.033823
"334023"	234.6318495	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+H+NH4"	19.041099
"729723"	347.1874995	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+H+NH4"	19.041099
"1479899"	122.0761995	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H+NH4"	19.041099
"394816"	473.211818	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+Na"	22.989218
"755323"	698.323118	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+Na"	22.989218
"1604030"	248.100518	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Na"	22.989218
"316129"	237.109547	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+H+Na"	23.996494
"712680"	349.665197	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+H+Na"	23.996494
"1465411"	124.553897	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H+Na"	23.996494
"1056469"	83.37169	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2H+Na"	25.00377
"1258874"	258.144786	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+CH3OH+H"	33.033486
"381096"	489.185758	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+K"	38.963158
"744280"	714.297058	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+K"	38.963158
"1546333"	264.074458	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+K"	38.963158
"301327"	245.096517	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+H+K"	39.970434
"698122"	357.652167	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+H+K"	39.970434
"1451946"	132.540867	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H+K"	39.970434
"244922"	492.256426	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+ACN+H"	42.033826
"1224191"	267.145126	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+ACN+H"	42.033826
"1209168"	134.076201	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+ACN+2H"	43.041102
"198758"	495.19376	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+2Na-H"	44.97116
"639410"	720.30506	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+2Na-H"	44.97116
"1142552"	270.08246	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2Na-H"	44.97116
"179646"	248.100518	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+2Na"	45.978436
"626868"	360.656168	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+2Na"	45.978436
"1124909"	135.544868	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2Na"	45.978436
"1404055"	90.699004	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H+2Na"	46.985712
"1430703"	272.124046	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H+HCOOH"	47.012746
"225865"	253.13354	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+3H2O+2H"	56.04448
"1515023"	286.17609	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+IsoProp+H"	61.06479
"415803"	256.087488	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+Na+K"	61.952376
"775704"	368.643138	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+Na+K"	61.952376
"1670943"	143.531838	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Na+K"	61.952376
"258555"	514.238368	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+ACN+Na"	64.015768
"1233452"	289.127068	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+ACN+Na"	64.015768
"1721243"	289.150593	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+NH4+HCOOH"	64.039293
"1183321"	98.026318	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+3Na"	68.967654
"1653217"	294.105988	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Na+HCOOH"	68.994688
"159105"	527.14164	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+2K-H"	76.91904
"600000"	752.25294	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+2K-H"	76.91904
"1088520"	302.03034	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2K-H"	76.91904
"143513"	264.074458	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"2M+2K"	77.926316
"583442"	376.630108	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"3M+2K"	77.926316
"1071238"	151.518808	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2K"	77.926316
"1102625"	304.044892	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2K+H"	78.933592
"1342291"	304.132507	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+DMSO+H"	79.021207
"1009726"	308.171676	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2ACN+H"	83.060376
"1528950"	309.165308	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+IsoProp+Na+H"	84.054008
"997586"	154.589476	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+2ACN+2H"	84.067652
"1590995"	310.079928	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+K+HCOOH"	84.968628
"1415931"	340.111438	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+H+CF3COOH"	115.000138
"1151323"	175.102751	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+3ACN+2H"	125.094202
"1700875"	357.137985	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+NH4+CF3COOH"	132.026685
"1641993"	362.09338	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+Na+CF3COOH"	136.98208
"1583111"	378.06732	"C19603"	"4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;NNAL-N-oxide"	"C10H15N3O3"	"225.1113"	"M+K+CF3COOH"	152.95602
"802545"	272.1201	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M"	0
"978264"	253.10171	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-H2O-H"	-19.01839
"73068"	180.406124	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M-3H"	-3.021828
"512628"	271.112824	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M-3H"	-3.021828
"884962"	89.699424	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-3H"	-3.021828
"4630"	271.112824	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M-2H"	-2.014552
"440059"	407.172874	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M-2H"	-2.014552
"819805"	135.052774	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-2H"	-2.014552
"84171"	543.232924	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M-H"	-1.007276
"531265"	815.353024	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M-H"	-1.007276
"905907"	271.112824	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-H"	-1.007276
"50438"	560.259471	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M-2H+NH4"	16.019271
"489998"	832.379571	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M-2H+NH4"	16.019271
"866710"	288.139371	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-2H+NH4"	16.019271
"40086"	565.214866	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M-2H+Na"	20.974666
"483292"	837.334966	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M-2H+Na"	20.974666
"861460"	293.094766	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-2H+Na"	20.974666
"1631358"	293.094766	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Na-2H"	20.974666
"98044"	289.101163	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M-H+Cl"	33.962126
"537604"	425.161213	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M-H+Cl"	33.962126
"933306"	153.041113	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-H+Cl"	33.962126
"270769"	579.209602	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+Cl"	34.969402
"664284"	851.329702	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+Cl"	34.969402
"1277780"	307.089502	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Cl"	34.969402
"23623"	581.188806	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M-2H+K"	36.948606
"464279"	853.308906	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M-2H+K"	36.948606
"840985"	309.068706	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-2H+K"	36.948606
"1557912"	309.068706	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+K-2H"	36.948606
"943609"	317.118294	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-H+HCOOH"	44.998194
"365109"	589.238401	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+HCOOH-H"	44.998201
"347533"	603.254051	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+Hac-H"	59.013851
"1506216"	331.133951	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Hac-H"	59.013851
"969749"	339.100251	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-H+NaCOOH"	66.980151
"118655"	307.089502	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+2Cl"	69.938804
"556027"	443.149552	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+2Cl"	69.938804
"1025188"	171.029452	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2Cl"	69.938804
"1246592"	351.038985	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Br"	78.918885
"1314512"	353.094972	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Cl+HCOOH"	80.974872
"1330915"	375.076929	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Cl+NaCOOH"	102.956829
"923067"	385.105686	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M-H+CF3COOH"	112.985586
"1304071"	421.082364	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Cl+CF3COOH"	148.962264
"1381956"	237.107424	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H-2H2O"	-35.012676
"1398302"	255.1174	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H-H2O"	-17.0027
"297310"	545.247476	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+H"	1.007276
"683169"	817.367576	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+H"	1.007276
"1364985"	273.127376	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H"	1.007276
"135686"	273.127376	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+2H"	2.014552
"575246"	409.187426	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+2H"	2.014552
"1047325"	137.067326	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2H"	2.014552
"214864"	182.420676	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+3H"	3.021828
"651506"	273.127376	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+3H"	3.021828
"1167446"	91.713976	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+3H"	3.021828
"426343"	562.274023	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+NH4"	18.033823
"790619"	834.394123	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+NH4"	18.033823
"1683667"	290.153923	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+NH4"	18.033823
"334134"	281.6406495	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+H+NH4"	19.041099
"726553"	417.7006995	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+H+NH4"	19.041099
"1481468"	145.5805995	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H+NH4"	19.041099
"395777"	567.229418	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+Na"	22.989218
"755678"	839.349518	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+Na"	22.989218
"1607056"	295.109318	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Na"	22.989218
"318183"	284.118347	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+H+Na"	23.996494
"710603"	420.178397	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+H+Na"	23.996494
"1466614"	148.058297	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H+Na"	23.996494
"1057672"	99.04129	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2H+Na"	25.00377
"1259350"	305.153586	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+CH3OH+H"	33.033486
"380113"	583.203358	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+K"	38.963158
"743296"	855.323458	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+K"	38.963158
"1544257"	311.083258	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+K"	38.963158
"302530"	292.105317	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+H+K"	39.970434
"700419"	428.165367	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+H+K"	39.970434
"1453149"	156.045267	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H+K"	39.970434
"242844"	586.274026	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+ACN+H"	42.033826
"1213363"	314.153926	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+ACN+H"	42.033826
"1208550"	157.580601	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+ACN+2H"	43.041102
"198868"	589.21136	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+2Na-H"	44.97116
"639520"	861.33146	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+2Na-H"	44.97116
"1140838"	317.09126	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2Na-H"	44.97116
"183764"	295.109318	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+2Na"	45.978436
"627222"	431.169368	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+2Na"	45.978436
"1130486"	159.049268	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2Na"	45.978436
"1404165"	106.368604	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H+2Na"	46.985712
"1430813"	319.132846	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H+HCOOH"	47.012746
"225975"	300.14234	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+3H2O+2H"	56.04448
"1515133"	333.18489	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+IsoProp+H"	61.06479
"413726"	303.096288	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+Na+K"	61.952376
"775814"	439.156338	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+Na+K"	61.952376
"1673239"	167.036238	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Na+K"	61.952376
"260851"	608.255968	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+ACN+Na"	64.015768
"1234656"	336.135868	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+ACN+Na"	64.015768
"1721353"	336.159393	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+NH4+HCOOH"	64.039293
"1184525"	113.695918	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+3Na"	68.967654
"1653691"	341.114788	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Na+HCOOH"	68.994688
"158729"	621.15924	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+2K-H"	76.91904
"601567"	893.27934	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+2K-H"	76.91904
"1088630"	349.03914	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2K-H"	76.91904
"143263"	311.083258	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"2M+2K"	77.926316
"583553"	447.143308	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"3M+2K"	77.926316
"1070371"	175.023208	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2K"	77.926316
"1102366"	351.053692	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2K+H"	78.933592
"1338388"	351.141307	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+DMSO+H"	79.021207
"1008743"	355.180476	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2ACN+H"	83.060376
"1526870"	356.174108	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+IsoProp+Na+H"	84.054008
"996602"	178.093876	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+2ACN+2H"	84.067652
"1591105"	357.088728	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+K+HCOOH"	84.968628
"1417863"	387.120238	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+H+CF3COOH"	115.000138
"1151433"	198.607151	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+3ACN+2H"	125.094202
"1700985"	404.146785	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+NH4+CF3COOH"	132.026685
"1642103"	409.10218	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+Na+CF3COOH"	136.98208
"1583221"	425.07612	"C19604"	"712-Dimethylbenzaanthracene 56-oxide;DMBA-56-epoxide"	"C20H16O"	"272.1201"	"M+K+CF3COOH"	152.95602
"809217"	385.1485	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M"	0
"986030"	366.13011	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H2O-H"	-19.01839
"76460"	255.758390666667	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-3H"	-3.021828
"509460"	384.141224	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-3H"	-3.021828
"887260"	127.375557333333	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-3H"	-3.021828
"2554"	384.141224	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H"	-2.014552
"441019"	576.715474	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H"	-2.014552
"817728"	191.566974	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H"	-2.014552
"86467"	769.289724	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-H"	-1.007276
"524935"	1154.438224	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-H"	-1.007276
"902738"	384.141224	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H"	-1.007276
"51645"	786.316271	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H+NH4"	16.019271
"491206"	1171.464771	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H+NH4"	16.019271
"866455"	401.167771	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H+NH4"	16.019271
"33630"	791.271666	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H+Na"	20.974666
"474286"	1176.420166	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H+Na"	20.974666
"857561"	406.123166	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H+Na"	20.974666
"1623813"	406.123166	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na-2H"	20.974666
"97061"	402.129563	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-H+Cl"	33.962126
"542090"	594.703813	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-H+Cl"	33.962126
"934511"	209.555313	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+Cl"	33.962126
"268085"	805.266402	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Cl"	34.969402
"661478"	1190.414902	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+Cl"	34.969402
"1273026"	420.117902	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl"	34.969402
"15985"	807.245606	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H+K"	36.948606
"464024"	1192.394106	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H+K"	36.948606
"837815"	422.097106	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H+K"	36.948606
"1558387"	422.097106	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K-2H"	36.948606
"942797"	430.146694	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+HCOOH"	44.998194
"361646"	815.295201	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+HCOOH-H"	44.998201
"348007"	829.310851	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Hac-H"	59.013851
"1502316"	444.162351	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Hac-H"	59.013851
"969859"	452.128651	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+NaCOOH"	66.980151
"115484"	420.117902	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2Cl"	69.938804
"552491"	612.692152	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2Cl"	69.938804
"1024201"	227.543652	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2Cl"	69.938804
"1243052"	464.067385	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Br"	78.918885
"1311342"	466.123372	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl+HCOOH"	80.974872
"1326650"	488.105329	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl+NaCOOH"	102.956829
"913336"	498.134086	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+CF3COOH"	112.985586
"1302809"	534.110764	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl+CF3COOH"	148.962264
"1379876"	350.135824	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H-2H2O"	-35.012676
"1394455"	368.1458	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H-H2O"	-17.0027
"291951"	771.304276	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H"	1.007276
"683279"	1156.452776	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H"	1.007276
"1358532"	386.155776	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H"	1.007276
"127774"	386.155776	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2H"	2.014552
"568064"	578.730026	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2H"	2.014552
"1041964"	193.581526	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2H"	2.014552
"207684"	257.772942666667	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+3H"	3.021828
"645055"	386.155776	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+3H"	3.021828
"1163663"	129.390109333333	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+3H"	3.021828
"425358"	788.330823	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+NH4"	18.033823
"794007"	1173.479323	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+NH4"	18.033823
"1682684"	403.182323	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+NH4"	18.033823
"330474"	394.6690495	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H+NH4"	19.041099
"723745"	587.2432995	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H+NH4"	19.041099
"1481575"	202.0947995	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+NH4"	19.041099
"394794"	793.286218	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Na"	22.989218
"755422"	1178.434718	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+Na"	22.989218
"1605217"	408.137718	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na"	22.989218
"319386"	397.146747	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H+Na"	23.996494
"710715"	589.720997	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H+Na"	23.996494
"1463808"	204.572497	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+Na"	23.996494
"1054256"	136.717423333333	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2H+Na"	25.00377
"1260553"	418.181986	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+CH3OH+H"	33.033486
"382411"	809.260158	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+K"	38.963158
"744501"	1194.408658	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+K"	38.963158
"1546555"	424.111658	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K"	38.963158
"304828"	405.133717	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H+K"	39.970434
"700530"	597.707967	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H+K"	39.970434
"1453259"	212.559467	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+K"	39.970434
"241860"	812.330826	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+ACN+H"	42.033826
"1218941"	427.182326	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+ACN+H"	42.033826
"1206475"	214.094801	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+ACN+2H"	43.041102
"201165"	815.26816	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2Na-H"	44.97116
"642183"	1200.41666	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2Na-H"	44.97116
"1143865"	430.11966	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2Na-H"	44.97116
"185334"	408.137718	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2Na"	45.978436
"625633"	600.711968	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2Na"	45.978436
"1127313"	215.563468	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2Na"	45.978436
"1404275"	144.044737333333	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+2Na"	46.985712
"1432744"	432.161246	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+HCOOH"	47.012746
"226086"	413.17074	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+3H2O+2H"	56.04448
"1514149"	446.21329	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+IsoProp+H"	61.06479
"413835"	416.124688	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Na+K"	61.952376
"774831"	608.698938	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+Na+K"	61.952376
"1671162"	223.550438	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na+K"	61.952376
"260597"	834.312768	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+ACN+Na"	64.015768
"1235856"	449.164268	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+ACN+Na"	64.015768
"1723650"	449.187793	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+NH4+HCOOH"	64.039293
"1183541"	151.372051333333	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+3Na"	68.967654
"1656717"	454.143188	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na+HCOOH"	68.994688
"159932"	847.21604	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2K-H"	76.91904
"601676"	1232.36454	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2K-H"	76.91904
"1090926"	462.06754	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2K-H"	76.91904
"143733"	424.111658	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2K"	77.926316
"582935"	616.685908	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2K"	77.926316
"1070726"	231.537408	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2K"	77.926316
"1102235"	464.082092	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2K+H"	78.933592
"1342508"	464.169707	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+DMSO+H"	79.021207
"1009215"	468.208876	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2ACN+H"	83.060376
"1526127"	469.202508	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+IsoProp+Na+H"	84.054008
"999994"	234.608076	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2ACN+2H"	84.067652
"1591215"	470.117128	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K+HCOOH"	84.968628
"1416878"	500.148638	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+CF3COOH"	115.000138
"1150447"	255.121351	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+3ACN+2H"	125.094202
"1701095"	517.175185	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+NH4+CF3COOH"	132.026685
"1647681"	522.13058	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na+CF3COOH"	136.98208
"1583331"	538.10452	"C19605"	"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;NNAL-O-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K+CF3COOH"	152.95602
"809327"	385.1485	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M"	0
"980672"	366.13011	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H2O-H"	-19.01839
"75477"	255.758390666667	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-3H"	-3.021828
"511756"	384.141224	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-3H"	-3.021828
"890651"	127.375557333333	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-3H"	-3.021828
"4852"	384.141224	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H"	-2.014552
"441128"	576.715474	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H"	-2.014552
"818687"	191.566974	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H"	-2.014552
"80502"	769.289724	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-H"	-1.007276
"523221"	1154.438224	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-H"	-1.007276
"899568"	384.141224	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H"	-1.007276
"50293"	786.316271	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H+NH4"	16.019271
"490946"	1171.464771	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H+NH4"	16.019271
"865715"	401.167771	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H+NH4"	16.019271
"33745"	791.271666	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H+Na"	20.974666
"472453"	1176.420166	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H+Na"	20.974666
"855484"	406.123166	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H+Na"	20.974666
"1623923"	406.123166	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na-2H"	20.974666
"95470"	402.129563	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-H+Cl"	33.962126
"537825"	594.703813	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-H+Cl"	33.962126
"930247"	209.555313	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+Cl"	33.962126
"267951"	805.266402	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Cl"	34.969402
"662681"	1190.414902	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+Cl"	34.969402
"1273052"	420.117902	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl"	34.969402
"18492"	807.245606	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M-2H+K"	36.948606
"463770"	1192.394106	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M-2H+K"	36.948606
"839747"	422.097106	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-2H+K"	36.948606
"1558498"	422.097106	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K-2H"	36.948606
"947475"	430.146694	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+HCOOH"	44.998194
"367151"	815.295201	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+HCOOH-H"	44.998201
"348117"	829.310851	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Hac-H"	59.013851
"1500239"	444.162351	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Hac-H"	59.013851
"967781"	452.128651	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+NaCOOH"	66.980151
"115594"	420.117902	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2Cl"	69.938804
"553329"	612.692152	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2Cl"	69.938804
"1026134"	227.543652	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2Cl"	69.938804
"1244256"	464.067385	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Br"	78.918885
"1312545"	466.123372	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl+HCOOH"	80.974872
"1326760"	488.105329	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl+NaCOOH"	102.956829
"913810"	498.134086	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M-H+CF3COOH"	112.985586
"1300002"	534.110764	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Cl+CF3COOH"	148.962264
"1379986"	350.135824	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H-2H2O"	-35.012676
"1394565"	368.1458	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H-H2O"	-17.0027
"292061"	771.304276	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H"	1.007276
"684482"	1156.452776	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H"	1.007276
"1358642"	386.155776	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H"	1.007276
"128612"	386.155776	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2H"	2.014552
"569997"	578.730026	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2H"	2.014552
"1043168"	193.581526	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2H"	2.014552
"217631"	257.772942666667	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+3H"	3.021828
"645893"	386.155776	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+3H"	3.021828
"1166571"	129.390109333333	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+3H"	3.021828
"426926"	788.330823	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+NH4"	18.033823
"794117"	1173.479323	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+NH4"	18.033823
"1681573"	403.182323	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+NH4"	18.033823
"332165"	394.6690495	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H+NH4"	19.041099
"724705"	587.2432995	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H+NH4"	19.041099
"1481687"	202.0947995	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+NH4"	19.041099
"395268"	793.286218	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Na"	22.989218
"755410"	1178.434718	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+Na"	22.989218
"1605088"	408.137718	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na"	22.989218
"315854"	397.146747	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H+Na"	23.996494
"709733"	589.720997	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H+Na"	23.996494
"1462827"	204.572497	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+Na"	23.996494
"1054978"	136.717423333333	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2H+Na"	25.00377
"1259938"	418.181986	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+CH3OH+H"	33.033486
"382522"	809.260158	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+K"	38.963158
"744612"	1194.408658	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+K"	38.963158
"1545572"	424.111658	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K"	38.963158
"306031"	405.133717	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+H+K"	39.970434
"703920"	597.707967	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+H+K"	39.970434
"1453366"	212.559467	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+K"	39.970434
"246342"	812.330826	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+ACN+H"	42.033826
"1214678"	427.182326	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+ACN+H"	42.033826
"1199658"	214.094801	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+ACN+2H"	43.041102
"196902"	815.26816	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2Na-H"	44.97116
"637553"	1200.41666	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2Na-H"	44.97116
"1142881"	430.11966	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2Na-H"	44.97116
"185443"	408.137718	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2Na"	45.978436
"626836"	600.711968	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2Na"	45.978436
"1126330"	215.563468	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2Na"	45.978436
"1403292"	144.044737333333	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+2Na"	46.985712
"1433219"	432.161246	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+HCOOH"	47.012746
"227290"	413.17074	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+3H2O+2H"	56.04448
"1515353"	446.21329	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+IsoProp+H"	61.06479
"413946"	416.124688	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+Na+K"	61.952376
"780044"	608.698938	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+Na+K"	61.952376
"1670179"	223.550438	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na+K"	61.952376
"259617"	834.312768	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+ACN+Na"	64.015768
"1233417"	449.164268	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+ACN+Na"	64.015768
"1718292"	449.187793	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+NH4+HCOOH"	64.039293
"1185838"	151.372051333333	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+3Na"	68.967654
"1653547"	454.143188	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na+HCOOH"	68.994688
"164776"	847.21604	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2K-H"	76.91904
"602515"	1232.36454	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2K-H"	76.91904
"1091036"	462.06754	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2K-H"	76.91904
"143479"	424.111658	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"2M+2K"	77.926316
"583045"	616.685908	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"3M+2K"	77.926316
"1070837"	231.537408	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2K"	77.926316
"1101859"	464.082092	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2K+H"	78.933592
"1339338"	464.169707	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+DMSO+H"	79.021207
"1010053"	468.208876	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2ACN+H"	83.060376
"1526724"	469.202508	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+IsoProp+Na+H"	84.054008
"1002290"	234.608076	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+2ACN+2H"	84.067652
"1591326"	470.117128	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K+HCOOH"	84.968628
"1416988"	500.148638	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+H+CF3COOH"	115.000138
"1154932"	255.121351	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+3ACN+2H"	125.094202
"1702299"	517.175185	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+NH4+CF3COOH"	132.026685
"1648521"	522.13058	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+Na+CF3COOH"	136.98208
"1580161"	538.10452	"C19606"	"NNAL-N-glucuronide"	"C16H23N3O8"	"385.1485"	"M+K+CF3COOH"	152.95602
"809437"	290.1307	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M"	0
"979689"	271.11231	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H2O-H"	-19.01839
"75586"	192.413190666667	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-3H"	-3.021828
"510773"	289.123424	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-3H"	-3.021828
"887482"	95.7029573333333	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-3H"	-3.021828
"2045"	289.123424	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H"	-2.014552
"440185"	434.188774	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H"	-2.014552
"817581"	144.058074	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H"	-2.014552
"82674"	579.254124	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-H"	-1.007276
"524057"	869.384824	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-H"	-1.007276
"897489"	289.123424	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H"	-1.007276
"47854"	596.280671	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H+NH4"	16.019271
"489241"	886.411371	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H+NH4"	16.019271
"867165"	306.149971	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H+NH4"	16.019271
"37135"	601.236066	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H+Na"	20.974666
"473414"	891.366766	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H+Na"	20.974666
"855594"	311.105366	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H+Na"	20.974666
"1624033"	311.105366	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na-2H"	20.974666
"102750"	307.111763	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-H+Cl"	33.962126
"542310"	452.177113	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-H+Cl"	33.962126
"930356"	162.046413	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+Cl"	33.962126
"268791"	615.230802	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Cl"	34.969402
"663156"	905.361502	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+Cl"	34.969402
"1273079"	325.100102	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl"	34.969402
"17143"	617.210006	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M-2H+K"	36.948606
"459503"	907.340706	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M-2H+K"	36.948606
"833534"	327.079306	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-2H+K"	36.948606
"1558608"	327.079306	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K-2H"	36.948606
"947220"	335.128894	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+HCOOH"	44.998194
"363612"	625.259601	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+HCOOH-H"	44.998201
"349320"	639.275251	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Hac-H"	59.013851
"1500350"	349.144551	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Hac-H"	59.013851
"964610"	357.110851	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+NaCOOH"	66.980151
"112059"	325.100102	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2Cl"	69.938804
"554170"	470.165452	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2Cl"	69.938804
"1027704"	180.034752	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2Cl"	69.938804
"1246190"	369.049585	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Br"	78.918885
"1308280"	371.105572	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl+HCOOH"	80.974872
"1326870"	393.087529	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl+NaCOOH"	102.956829
"915013"	403.116286	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M-H+CF3COOH"	112.985586
"1301937"	439.092964	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Cl+CF3COOH"	148.962264
"1381189"	255.118024	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H-2H2O"	-35.012676
"1391393"	273.128	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H-H2O"	-17.0027
"293264"	581.268676	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H"	1.007276
"685686"	871.399376	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H"	1.007276
"1358752"	291.137976	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H"	1.007276
"130546"	291.137976	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2H"	2.014552
"574480"	436.203326	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2H"	2.014552
"1043278"	146.072626	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2H"	2.014552
"216648"	194.427742666667	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+3H"	3.021828
"649649"	291.137976	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+3H"	3.021828
"1164859"	97.7175093333333	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+3H"	3.021828
"427037"	598.295223	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+NH4"	18.033823
"792042"	888.425923	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+NH4"	18.033823
"1682175"	308.164523	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+NH4"	18.033823
"332275"	299.6512495	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H+NH4"	19.041099
"724333"	444.7165995	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H+NH4"	19.041099
"1483986"	154.5858995	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+NH4"	19.041099
"395010"	603.250618	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Na"	22.989218
"754668"	893.381318	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+Na"	22.989218
"1606291"	313.119918	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na"	22.989218
"316695"	302.128947	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H+Na"	23.996494
"710206"	447.194297	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H+Na"	23.996494
"1463056"	157.063597	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+Na"	23.996494
"1058004"	105.044823333333	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2H+Na"	25.00377
"1260777"	323.164186	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+CH3OH+H"	33.033486
"383725"	619.224558	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+K"	38.963158
"745814"	909.355258	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+K"	38.963158
"1546774"	329.093858	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K"	38.963158
"305048"	310.115917	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+H+K"	39.970434
"701843"	455.181267	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+H+K"	39.970434
"1451290"	165.050567	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+K"	39.970434
"242080"	622.295226	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+ACN+H"	42.033826
"1216974"	332.164526	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+ACN+H"	42.033826
"1200861"	166.585901	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+ACN+2H"	43.041102
"195919"	625.23256	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2Na-H"	44.97116
"637664"	915.36326	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2Na-H"	44.97116
"1141169"	335.10186	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2Na-H"	44.97116
"182274"	313.119918	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2Na"	45.978436
"626216"	458.185268	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2Na"	45.978436
"1126440"	168.054568	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2Na"	45.978436
"1404495"	112.372137333333	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+2Na"	46.985712
"1435517"	337.143446	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+HCOOH"	47.012746
"226307"	318.15294	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+3H2O+2H"	56.04448
"1516557"	351.19549	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+IsoProp+H"	61.06479
"415150"	321.106888	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+Na+K"	61.952376
"778332"	466.172238	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+Na+K"	61.952376
"1673569"	176.041538	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na+K"	61.952376
"264102"	644.277168	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+ACN+Na"	64.015768
"1235350"	354.146468	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+ACN+Na"	64.015768
"1719495"	354.169993	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+NH4+HCOOH"	64.039293
"1183760"	119.699451333333	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+3Na"	68.967654
"1653657"	359.125388	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na+HCOOH"	68.994688
"163066"	657.18044	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2K-H"	76.91904
"604449"	947.31114	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2K-H"	76.91904
"1090418"	367.04974	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2K-H"	76.91904
"145778"	329.093858	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"2M+2K"	77.926316
"584248"	474.159208	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"3M+2K"	77.926316
"1070949"	184.028508	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2K"	77.926316
"1104155"	369.064292	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2K+H"	78.933592
"1340542"	369.151907	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+DMSO+H"	79.021207
"1009076"	373.191076	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2ACN+H"	83.060376
"1530485"	374.184708	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+IsoProp+Na+H"	84.054008
"994746"	187.099176	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+2ACN+2H"	84.067652
"1592529"	375.099328	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K+HCOOH"	84.968628
"1415639"	405.130838	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+H+CF3COOH"	115.000138
"1150670"	207.612451	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+3ACN+2H"	125.094202
"1704597"	422.157385	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+NH4+CF3COOH"	132.026685
"1648267"	427.11278	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+Na+CF3COOH"	136.98208
"1580271"	443.08672	"C19607"	"trans-56-Dihydro-56-dihydroxy-712-dimethylbenzaanthracene;trans-DMBA-56-dihydrodiol"	"C20H18O2"	"290.1307"	"M+K+CF3COOH"	152.95602
"817040"	57.9353	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M"	0
"989692"	38.91691	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-H2O-H"	-19.01839
"76792"	37.6162573333333	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M-3H"	-3.021828
"513074"	56.928024	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M-3H"	-3.021828
"883218"	18.3044906666667	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-3H"	-3.021828
"3980"	56.928024	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M-2H"	-2.014552
"449008"	85.895674	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M-2H"	-2.014552
"821343"	27.960374	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-2H"	-2.014552
"82428"	114.863324	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M-H"	-1.007276
"524175"	172.798624	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M-H"	-1.007276
"896017"	56.928024	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-H"	-1.007276
"48697"	131.889871	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M-2H+NH4"	16.019271
"487365"	189.825171	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M-2H+NH4"	16.019271
"866061"	73.954571	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-2H+NH4"	16.019271
"33112"	136.845266	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M-2H+Na"	20.974666
"481185"	194.780566	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M-2H+Na"	20.974666
"856799"	78.909966	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-2H+Na"	20.974666
"1633382"	78.909966	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Na-2H"	20.974666
"102862"	74.916363	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M-H+Cl"	33.962126
"543514"	103.884013	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M-H+Cl"	33.962126
"929374"	45.948713	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-H+Cl"	33.962126
"268535"	150.840002	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+Cl"	34.969402
"663266"	208.775302	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+Cl"	34.969402
"1273273"	92.904702	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Cl"	34.969402
"26252"	152.819206	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M-2H+K"	36.948606
"462530"	210.754506	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M-2H+K"	36.948606
"838147"	94.883906	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-2H+K"	36.948606
"1556530"	94.883906	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+K-2H"	36.948606
"949520"	102.933494	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-H+HCOOH"	44.998194
"367738"	160.868801	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+HCOOH-H"	44.998201
"358191"	174.884451	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+Hac-H"	59.013851
"1503742"	116.949151	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Hac-H"	59.013851
"969096"	124.915451	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-H+NaCOOH"	66.980151
"119096"	92.904702	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+2Cl"	69.938804
"552093"	121.872352	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+2Cl"	69.938804
"1021743"	63.937052	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2Cl"	69.938804
"1253233"	136.854185	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Br"	78.918885
"1311672"	138.910172	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Cl+HCOOH"	80.974872
"1331358"	160.892129	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Cl+NaCOOH"	102.956829
"924610"	170.920886	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M-H+CF3COOH"	112.985586
"1302287"	206.897564	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Cl+CF3COOH"	148.962264
"1378382"	22.922624	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H-2H2O"	-35.012676
"1392595"	40.9326	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H-H2O"	-17.0027
"293375"	116.877876	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+H"	1.007276
"680329"	174.813176	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+H"	1.007276
"1354488"	58.942576	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H"	1.007276
"132844"	58.942576	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+2H"	2.014552
"573496"	87.910226	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+2H"	2.014552
"1044485"	29.974926	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2H"	2.014552
"209106"	39.6308093333333	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+3H"	3.021828
"646477"	58.942576	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+3H"	3.021828
"1164969"	20.3190426666667	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+3H"	3.021828
"426782"	133.904423	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+NH4"	18.033823
"785735"	191.839723	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+NH4"	18.033823
"1682041"	75.969123	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+NH4"	18.033823
"330564"	67.4558495	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+H+NH4"	19.041099
"723350"	96.4234995	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+H+NH4"	19.041099
"1478388"	38.4881995	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H+NH4"	19.041099
"394759"	138.859818	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+Na"	22.989218
"756480"	196.795118	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+Na"	22.989218
"1603970"	80.924518	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Na"	22.989218
"315708"	69.933547	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+H+Na"	23.996494
"709954"	98.901197	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+H+Na"	23.996494
"1464139"	40.965897	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H+Na"	23.996494
"1057022"	27.6463566666667	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2H+Na"	25.00377
"1262346"	90.968786	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+CH3OH+H"	33.033486
"382742"	154.833758	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+K"	38.963158
"744831"	212.769058	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+K"	38.963158
"1543606"	96.898458	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+K"	38.963158
"301145"	77.920517	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+H+K"	39.970434
"695392"	106.888167	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+H+K"	39.970434
"1448118"	48.952867	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H+K"	39.970434
"240004"	157.904426	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+ACN+H"	42.033826
"1214901"	99.969126	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+ACN+H"	42.033826
"1196960"	50.488201	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+ACN+2H"	43.041102
"197118"	160.84176	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+2Na-H"	44.97116
"632306"	218.77706	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+2Na-H"	44.97116
"1140185"	102.90646	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2Na-H"	44.97116
"186042"	80.924518	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+2Na"	45.978436
"624870"	109.892168	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+2Na"	45.978436
"1128739"	51.956868	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2Na"	45.978436
"1410805"	34.9736706666667	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H+2Na"	46.985712
"1437816"	104.948046	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H+HCOOH"	47.012746
"228607"	85.95754	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+3H2O+2H"	56.04448
"1517763"	119.00009	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+IsoProp+H"	61.06479
"417448"	88.911488	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+Na+K"	61.952376
"775163"	117.879138	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+Na+K"	61.952376
"1670401"	59.943838	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Na+K"	61.952376
"260201"	179.886368	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+ACN+Na"	64.015768
"1231086"	121.951068	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+ACN+Na"	64.015768
"1716331"	121.974593	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+NH4+HCOOH"	64.039293
"1183872"	42.3009846666667	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+3Na"	68.967654
"1655954"	126.929988	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Na+HCOOH"	68.994688
"160628"	192.78964	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+2K-H"	76.91904
"602372"	250.72494	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+2K-H"	76.91904
"1094543"	134.85434	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2K-H"	76.91904
"149174"	96.898458	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"2M+2K"	77.926316
"585454"	125.866108	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"3M+2K"	77.926316
"1072153"	67.930808	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2K"	77.926316
"1101716"	136.868892	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2K+H"	78.933592
"1340655"	136.956507	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+DMSO+H"	79.021207
"1011375"	140.995676	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2ACN+H"	83.060376
"1529501"	141.989308	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+IsoProp+Na+H"	84.054008
"997043"	71.001476	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+2ACN+2H"	84.067652
"1589360"	142.903928	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+K+HCOOH"	84.968628
"1418302"	172.935438	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+H+CF3COOH"	115.000138
"1152966"	91.514751	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+3ACN+2H"	125.094202
"1705800"	189.961985	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+NH4+CF3COOH"	132.026685
"1643638"	194.91738	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+Na+CF3COOH"	136.98208
"1576008"	210.89132	"C19609"	"Nickel(2);Ni2;Ni(II)"	"Ni"	"57.9353"	"M+K+CF3COOH"	152.95602
"812941"	54.9381	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M"	0
"984286"	35.91971	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-H2O-H"	-19.01839
"70341"	35.618124	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M-3H"	-3.021828
"507714"	53.930824	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M-3H"	-3.021828
"884422"	17.305424	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-3H"	-3.021828
"809"	53.930824	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M-2H"	-2.014552
"441463"	81.399874	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M-2H"	-2.014552
"818170"	26.461774	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-2H"	-2.014552
"78676"	108.868924	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M-H"	-1.007276
"524285"	163.807024	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M-H"	-1.007276
"895922"	53.930824	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-H"	-1.007276
"47232"	125.895471	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M-2H+NH4"	16.019271
"487346"	180.833571	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M-2H+NH4"	16.019271
"869454"	70.957371	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-2H+NH4"	16.019271
"32250"	130.850866	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M-2H+Na"	20.974666
"474731"	185.788966	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M-2H+Na"	20.974666
"854721"	75.912766	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-2H+Na"	20.974666
"1620972"	75.912766	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Na-2H"	20.974666
"95315"	71.919163	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M-H+Cl"	33.962126
"534273"	99.388213	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M-H+Cl"	33.962126
"927239"	44.450113	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-H+Cl"	33.962126
"267255"	144.845602	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+Cl"	34.969402
"660254"	199.783702	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+Cl"	34.969402
"1273225"	89.907502	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Cl"	34.969402
"19069"	146.824806	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M-2H+K"	36.948606
"455735"	201.762906	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M-2H+K"	36.948606
"843725"	91.886706	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-2H+K"	36.948606
"1563933"	91.886706	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+K-2H"	36.948606
"950725"	99.936294	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-H+HCOOH"	44.998194
"370036"	154.874401	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+HCOOH-H"	44.998201
"357208"	168.890051	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+Hac-H"	59.013851
"1503852"	113.951951	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Hac-H"	59.013851
"970299"	121.918251	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-H+NaCOOH"	66.980151
"118113"	89.907502	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+2Cl"	69.938804
"554390"	117.376552	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+2Cl"	69.938804
"1021732"	62.438452	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2Cl"	69.938804
"1252614"	133.856985	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Br"	78.918885
"1311782"	135.912972	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Cl+HCOOH"	80.974872
"1331468"	157.894929	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Cl+NaCOOH"	102.956829
"923627"	167.923686	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M-H+CF3COOH"	112.985586
"1302518"	203.900364	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Cl+CF3COOH"	148.962264
"1378492"	19.925424	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H-2H2O"	-35.012676
"1392705"	37.9354	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H-H2O"	-17.0027
"293485"	110.883476	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+H"	1.007276
"681532"	165.821576	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+H"	1.007276
"1355692"	55.945376	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H"	1.007276
"137328"	55.945376	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+2H"	2.014552
"570326"	83.414426	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+2H"	2.014552
"1046782"	28.476326	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2H"	2.014552
"209216"	37.632676	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+3H"	3.021828
"650961"	55.945376	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+3H"	3.021828
"1165807"	19.319976	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+3H"	3.021828
"430172"	127.910023	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+NH4"	18.033823
"785941"	182.848123	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+NH4"	18.033823
"1682030"	72.971923	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+NH4"	18.033823
"330593"	64.4586495	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+H+NH4"	19.041099
"726012"	91.9276995	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+H+NH4"	19.041099
"1477767"	36.9895995	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H+NH4"	19.041099
"394141"	132.865418	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+Na"	22.989218
"754403"	187.803518	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+Na"	22.989218
"1603109"	77.927318	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Na"	22.989218
"314637"	66.936347	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+H+Na"	23.996494
"707513"	94.405397	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+H+Na"	23.996494
"1461773"	39.467297	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H+Na"	23.996494
"1052831"	26.64729	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2H+Na"	25.00377
"1260633"	87.971586	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+CH3OH+H"	33.033486
"377543"	148.839358	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+K"	38.963158
"742754"	203.777458	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+K"	38.963158
"1540434"	93.901258	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+K"	38.963158
"299797"	74.923317	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+H+K"	39.970434
"693314"	102.392367	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+H+K"	39.970434
"1446768"	47.454267	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H+K"	39.970434
"237927"	151.910026	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+ACN+H"	42.033826
"1215011"	96.971926	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+ACN+H"	42.033826
"1194260"	48.989601	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+ACN+2H"	43.041102
"193947"	154.84736	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+2Na-H"	44.97116
"629501"	209.78546	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+2Na-H"	44.97116
"1138107"	99.90926	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2Na-H"	44.97116
"182501"	77.927318	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+2Na"	45.978436
"624251"	105.396368	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+2Na"	45.978436
"1124476"	50.458268	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2Na"	45.978436
"1405812"	33.974604	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H+2Na"	46.985712
"1434646"	101.950846	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H+HCOOH"	47.012746
"233092"	82.96034	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+3H2O+2H"	56.04448
"1520061"	116.00289	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+IsoProp+H"	61.06479
"417559"	85.914288	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+Na+K"	61.952376
"777460"	113.383338	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+Na+K"	61.952376
"1669418"	58.445238	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Na+K"	61.952376
"260311"	173.891968	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+ACN+Na"	64.015768
"1231925"	118.953868	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+ACN+Na"	64.015768
"1714981"	118.977393	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+NH4+HCOOH"	64.039293
"1181797"	41.301918	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+3Na"	68.967654
"1654969"	123.932788	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Na+HCOOH"	68.994688
"159645"	186.79524	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+2K-H"	76.91904
"600296"	241.73334	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+2K-H"	76.91904
"1086998"	131.85714	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2K-H"	76.91904
"144180"	93.901258	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"2M+2K"	77.926316
"584471"	121.370308	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"3M+2K"	77.926316
"1072263"	66.432208	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2K"	77.926316
"1102189"	133.871692	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2K+H"	78.933592
"1336755"	133.959307	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+DMSO+H"	79.021207
"1009299"	137.998476	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2ACN+H"	83.060376
"1524509"	138.992108	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+IsoProp+Na+H"	84.054008
"996062"	69.502876	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+2ACN+2H"	84.067652
"1592753"	139.906728	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+K+HCOOH"	84.968628
"1420602"	169.938238	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+H+CF3COOH"	115.000138
"1159640"	90.016151	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+3ACN+2H"	125.094202
"1702630"	186.964785	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+NH4+CF3COOH"	132.026685
"1643749"	191.92018	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+Na+CF3COOH"	136.98208
"1580494"	207.89412	"C19610"	"Manganese(2);Mn2;Mn(II)"	"Mn"	"54.9381"	"M+K+CF3COOH"	152.95602
"815238"	54.9381	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M"	0
"985488"	35.91971	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-H2O-H"	-19.01839
"73734"	35.618124	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M-3H"	-3.021828
"511107"	53.930824	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M-3H"	-3.021828
"886719"	17.305424	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-3H"	-3.021828
"1284"	53.930824	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M-2H"	-2.014552
"442665"	81.399874	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M-2H"	-2.014552
"817543"	26.461774	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-2H"	-2.014552
"79476"	108.868924	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M-H"	-1.007276
"521115"	163.807024	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M-H"	-1.007276
"901105"	53.930824	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-H"	-1.007276
"54387"	125.895471	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M-2H+NH4"	16.019271
"495044"	180.833571	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M-2H+NH4"	16.019271
"868470"	70.957371	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-2H+NH4"	16.019271
"37467"	130.850866	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M-2H+Na"	20.974666
"475934"	185.788966	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M-2H+Na"	20.974666
"854831"	75.912766	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-2H+Na"	20.974666
"1620353"	75.912766	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Na-2H"	20.974666
"95425"	71.919163	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M-H+Cl"	33.962126
"534493"	99.388213	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M-H+Cl"	33.962126
"927362"	44.450113	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-H+Cl"	33.962126
"267450"	144.845602	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+Cl"	34.969402
"660439"	199.783702	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+Cl"	34.969402
"1274911"	89.907502	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Cl"	34.969402
"19179"	146.824806	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M-2H+K"	36.948606
"455862"	201.762906	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M-2H+K"	36.948606
"843837"	91.886706	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-2H+K"	36.948606
"1564044"	91.886706	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+K-2H"	36.948606
"948649"	99.936294	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-H+HCOOH"	44.998194
"367960"	154.874401	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+HCOOH-H"	44.998201
"359504"	168.890051	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+Hac-H"	59.013851
"1503962"	113.951951	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Hac-H"	59.013851
"970409"	121.918251	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-H+NaCOOH"	66.980151
"120409"	89.907502	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+2Cl"	69.938804
"555594"	117.376552	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+2Cl"	69.938804
"1022571"	62.438452	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2Cl"	69.938804
"1252360"	133.856985	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Br"	78.918885
"1310799"	135.912972	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Cl+HCOOH"	80.974872
"1330485"	157.894929	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Cl+NaCOOH"	102.956829
"922644"	167.923686	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M-H+CF3COOH"	112.985586
"1301538"	203.900364	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Cl+CF3COOH"	148.962264
"1378602"	19.925424	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H-2H2O"	-35.012676
"1393910"	37.9354	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H-H2O"	-17.0027
"292502"	110.883476	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+H"	1.007276
"681642"	165.821576	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+H"	1.007276
"1356896"	55.945376	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H"	1.007276
"137438"	55.945376	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+2H"	2.014552
"572623"	83.414426	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+2H"	2.014552
"1046893"	28.476326	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2H"	2.014552
"208232"	37.632676	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+3H"	3.021828
"647791"	55.945376	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+3H"	3.021828
"1164824"	19.319976	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+3H"	3.021828
"430282"	127.910023	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+NH4"	18.033823
"787024"	182.848123	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+NH4"	18.033823
"1681776"	72.971923	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+NH4"	18.033823
"332244"	64.4586495	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+H+NH4"	19.041099
"727219"	91.9276995	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+H+NH4"	19.041099
"1477632"	36.9895995	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H+NH4"	19.041099
"396802"	132.865418	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+Na"	22.989218
"755728"	187.803518	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+Na"	22.989218
"1606260"	77.927318	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Na"	22.989218
"315443"	66.936347	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+H+Na"	23.996494
"708718"	94.405397	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+H+Na"	23.996494
"1462657"	39.467297	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H+Na"	23.996494
"1052943"	26.64729	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2H+Na"	25.00377
"1258920"	87.971586	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+CH3OH+H"	33.033486
"377532"	148.839358	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+K"	38.963158
"742864"	203.777458	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+K"	38.963158
"1541273"	93.901258	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+K"	38.963158
"299420"	74.923317	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+H+K"	39.970434
"693424"	102.392367	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+H+K"	39.970434
"1446879"	47.454267	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H+K"	39.970434
"239130"	151.910026	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+ACN+H"	42.033826
"1215121"	96.971926	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+ACN+H"	42.033826
"1196452"	48.989601	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+ACN+2H"	43.041102
"191873"	154.84736	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+2Na-H"	44.97116
"631434"	209.78546	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+2Na-H"	44.97116
"1134941"	99.90926	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2Na-H"	44.97116
"182976"	77.927318	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+2Na"	45.978436
"627647"	105.396368	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+2Na"	45.978436
"1128476"	50.458268	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2Na"	45.978436
"1408109"	33.974604	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H+2Na"	46.985712
"1439132"	101.950846	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H+HCOOH"	47.012746
"232474"	82.96034	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+3H2O+2H"	56.04448
"1520171"	116.00289	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+IsoProp+H"	61.06479
"419856"	85.914288	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+Na+K"	61.952376
"776478"	113.383338	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+Na+K"	61.952376
"1671716"	58.445238	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Na+K"	61.952376
"260422"	173.891968	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+ACN+Na"	64.015768
"1236410"	118.953868	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+ACN+Na"	64.015768
"1716549"	118.977393	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+NH4+HCOOH"	64.039293
"1184093"	41.301918	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+3Na"	68.967654
"1656172"	123.932788	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Na+HCOOH"	68.994688
"159753"	186.79524	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+2K-H"	76.91904
"604781"	241.73334	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+2K-H"	76.91904
"1088202"	131.85714	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2K-H"	76.91904
"144290"	93.901258	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"2M+2K"	77.926316
"583000"	121.370308	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"3M+2K"	77.926316
"1071279"	66.432208	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2K"	77.926316
"1101570"	133.871692	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2K+H"	78.933592
"1338690"	133.959307	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+DMSO+H"	79.021207
"1014880"	137.998476	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2ACN+H"	83.060376
"1534098"	138.992108	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+IsoProp+Na+H"	84.054008
"1000551"	69.502876	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+2ACN+2H"	84.067652
"1596149"	139.906728	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+K+HCOOH"	84.968628
"1425091"	169.938238	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+H+CF3COOH"	115.000138
"1158658"	90.016151	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+3ACN+2H"	125.094202
"1706023"	186.964785	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+NH4+CF3COOH"	132.026685
"1647140"	191.92018	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+Na+CF3COOH"	136.98208
"1580604"	207.89412	"C19611"	"Manganese(3);Mn3;Mn(III)"	"Mn"	"54.9381"	"M+K+CF3COOH"	152.95602
"810971"	210.074	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M"	0
"986327"	191.05561	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-H2O-H"	-19.01839
"70564"	139.042057333333	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M-3H"	-3.021828
"511217"	209.066724	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M-3H"	-3.021828
"884643"	69.0173906666667	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-3H"	-3.021828
"1151"	209.066724	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M-2H"	-2.014552
"441682"	314.103724	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M-2H"	-2.014552
"817779"	104.029724	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-2H"	-2.014552
"80809"	419.140724	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M-H"	-1.007276
"521225"	629.214724	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M-H"	-1.007276
"901215"	209.066724	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-H"	-1.007276
"52311"	436.167271	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M-2H+NH4"	16.019271
"494060"	646.241271	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M-2H+NH4"	16.019271
"867486"	226.093271	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-2H+NH4"	16.019271
"38670"	441.122666	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M-2H+Na"	20.974666
"473857"	651.196666	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M-2H+Na"	20.974666
"854941"	231.048666	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-2H+Na"	20.974666
"1619006"	231.048666	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Na-2H"	20.974666
"95535"	227.055063	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M-H+Cl"	33.962126
"535580"	332.092063	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M-H+Cl"	33.962126
"927513"	122.018063	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-H+Cl"	33.962126
"268126"	455.117402	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+Cl"	34.969402
"661275"	665.191402	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+Cl"	34.969402
"1273444"	245.043402	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Cl"	34.969402
"17457"	457.096606	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M-2H+K"	36.948606
"457377"	667.170606	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M-2H+K"	36.948606
"840667"	247.022606	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-2H+K"	36.948606
"1557954"	247.022606	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+K-2H"	36.948606
"944382"	255.072194	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-H+HCOOH"	44.998194
"362592"	465.146201	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+HCOOH-H"	44.998201
"359617"	479.161851	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+Hac-H"	59.013851
"1500792"	269.087851	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Hac-H"	59.013851
"969426"	277.054151	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-H+NaCOOH"	66.980151
"118333"	245.043402	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+2Cl"	69.938804
"555704"	350.080402	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+2Cl"	69.938804
"1022318"	140.006402	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2Cl"	69.938804
"1249554"	288.992885	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Br"	78.918885
"1309816"	291.048872	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Cl+HCOOH"	80.974872
"1329502"	313.030829	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Cl+NaCOOH"	102.956829
"924940"	323.059586	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M-H+CF3COOH"	112.985586
"1303470"	359.036264	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Cl+CF3COOH"	148.962264
"1378711"	175.061324	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H-2H2O"	-35.012676
"1391833"	193.0713	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H-H2O"	-17.0027
"290425"	421.155276	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+H"	1.007276
"680658"	631.229276	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+H"	1.007276
"1357005"	211.081276	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H"	1.007276
"134268"	211.081276	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+2H"	2.014552
"577108"	316.118276	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+2H"	2.014552
"1042628"	106.044276	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2H"	2.014552
"207613"	141.056609333333	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+3H"	3.021828
"649360"	211.081276	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+3H"	3.021828
"1166027"	71.0319426666667	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+3H"	3.021828
"429299"	438.181823	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+NH4"	18.033823
"787135"	648.255823	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+NH4"	18.033823
"1681765"	228.107823	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+NH4"	18.033823
"332354"	219.5945495	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+H+NH4"	19.041099
"727329"	324.6315495	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+H+NH4"	19.041099
"1480054"	114.5575495	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H+NH4"	19.041099
"396912"	443.137218	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+Na"	22.989218
"756447"	653.211218	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+Na"	22.989218
"1606734"	233.063218	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Na"	22.989218
"316768"	222.072247	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+H+Na"	23.996494
"710288"	327.109247	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+H+Na"	23.996494
"1466294"	117.035247	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H+Na"	23.996494
"1054800"	78.3592566666667	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2H+Na"	25.00377
"1257692"	243.107486	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+CH3OH+H"	33.033486
"380887"	459.111158	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+K"	38.963158
"740789"	669.185158	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+K"	38.963158
"1541023"	249.037158	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+K"	38.963158
"304395"	230.059217	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+H+K"	39.970434
"694629"	335.096217	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+H+K"	39.970434
"1450636"	125.022217	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H+K"	39.970434
"239605"	462.181826	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+ACN+H"	42.033826
"1210859"	252.107826	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+ACN+H"	42.033826
"1199115"	126.557551	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+ACN+2H"	43.041102
"194170"	465.11916	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+2Na-H"	44.97116
"634823"	675.19316	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+2Na-H"	44.97116
"1137238"	255.04516	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2Na-H"	44.97116
"183814"	233.063218	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+2Na"	45.978436
"626055"	338.100218	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+2Na"	45.978436
"1128343"	128.026218	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2Na"	45.978436
"1407126"	85.6865706666667	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H+2Na"	46.985712
"1439242"	257.086746	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H+HCOOH"	47.012746
"230031"	238.09624	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+3H2O+2H"	56.04448
"1513719"	271.13879	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+IsoProp+H"	61.06479
"408905"	241.050188	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+Na+K"	61.952376
"774401"	346.087188	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+Na+K"	61.952376
"1668545"	136.013188	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Na+K"	61.952376
"259437"	484.163768	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+ACN+Na"	64.015768
"1231052"	274.089768	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+ACN+Na"	64.015768
"1723220"	274.113293	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+NH4+HCOOH"	64.039293
"1184201"	93.0138846666667	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+3Na"	68.967654
"1655187"	279.068688	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Na+HCOOH"	68.994688
"159862"	497.06704	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+2K-H"	76.91904
"602703"	707.14104	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+2K-H"	76.91904
"1086485"	286.99304	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2K-H"	76.91904
"147316"	249.037158	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"2M+2K"	77.926316
"586878"	354.074158	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"3M+2K"	77.926316
"1071753"	144.000158	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2K"	77.926316
"1100952"	289.007592	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2K+H"	78.933592
"1336364"	289.095207	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+DMSO+H"	79.021207
"1007453"	293.134376	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2ACN+H"	83.060376
"1527646"	294.128008	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+IsoProp+Na+H"	84.054008
"995188"	147.070826	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+2ACN+2H"	84.067652
"1596259"	295.042628	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+K+HCOOH"	84.968628
"1427388"	325.074138	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+H+CF3COOH"	115.000138
"1158768"	167.584101	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+3ACN+2H"	125.094202
"1707226"	342.100685	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+NH4+CF3COOH"	132.026685
"1647250"	347.05608	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+Na+CF3COOH"	136.98208
"1580714"	363.03002	"C19612"	"Coriose;D-altro-3-Heptulose"	"C7H14O7"	"210.074"	"M+K+CF3COOH"	152.95602
"811081"	294.2195	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M"	0
"985708"	275.20111	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"70674"	195.139057333333	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"508047"	293.212224	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"889127"	97.0658906666666	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"8797"	293.212224	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"441794"	440.321974	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"820686"	146.102474	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"81766"	587.431724	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"521335"	881.651224	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"900597"	293.212224	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"52421"	604.458271	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"494170"	898.677771	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"865894"	310.238771	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"38780"	609.413666	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"473967"	903.633166	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"855051"	315.194166	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1619600"	315.194166	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"96130"	311.200563	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"535445"	458.310313	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"928109"	164.090813	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"268241"	623.408402	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"661026"	917.627902	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1274280"	329.188902	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"17200"	625.387606	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"457489"	919.607106	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"839684"	331.168106	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1558430"	331.168106	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"944857"	339.217694	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"363432"	633.437201	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"359726"	647.452851	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1503089"	353.233351	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"971725"	361.199651	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"116258"	329.188902	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"556909"	476.298652	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1022428"	182.079152	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1249664"	373.138385	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1309926"	375.194372	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1331798"	397.176329	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"923593"	407.205086	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1302850"	443.181764	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1376635"	259.206824	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1393036"	277.2168	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"290536"	589.446276	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"685144"	883.665776	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1360397"	295.226776	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"134380"	295.226776	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"576126"	442.336526	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1043832"	148.117026	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"206997"	197.153609333333	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"650201"	295.226776	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1166139"	99.0804426666667	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"429412"	606.472823	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"787856"	900.692323	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1683092"	312.253323	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"331371"	303.7400495	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"727439"	450.8497995	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1477978"	156.6302995	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"394105"	611.428218	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"755830"	905.647718	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1605022"	317.208718	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"317607"	306.217747	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"710398"	453.327497	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1464217"	159.107997	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1054304"	106.407756666667	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1257802"	327.252986	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"378080"	627.402158	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"740168"	921.621658	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1542956"	333.182658	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"304505"	314.204717	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"694739"	461.314467	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1450746"	167.094967	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"239714"	630.472826	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1215341"	336.253326	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1199226"	168.630301	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"194281"	633.41016	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"634936"	927.62966	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1143907"	339.19066	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"182831"	317.208718	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"626407"	464.318468	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1128089"	170.098968	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1407236"	113.735070666667	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1437165"	341.232246	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"229048"	322.24174	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1513829"	355.28429	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"410232"	325.195688	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"772324"	472.305438	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1668654"	178.085938	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"259547"	652.454768	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1234442"	358.235268	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1720050"	358.258793	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1181031"	121.062384666667	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1653111"	363.214188	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"159972"	665.35804	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"608280"	959.57754	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1093886"	371.13854	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"145238"	333.182658	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"585164"	480.292408	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1071862"	186.072908	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1105800"	373.153092	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1338294"	373.240707	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1006705"	377.279876	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1527756"	378.273508	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"995298"	189.143576	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1597463"	379.188128	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1427498"	409.219638	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1161553"	209.656851	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1707336"	426.246185	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1649183"	431.20158	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1584104"	447.17552	"C19613"	"Juvenile hormone I;Methyl (2E6E10R11S)-1011-epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"811191"	270.2195	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M"	0
"983631"	251.20111	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-H2O-H"	-19.01839
"69690"	179.139057333333	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M-3H"	-3.021828
"511436"	269.212224	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M-3H"	-3.021828
"890331"	89.0658906666666	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-3H"	-3.021828
"8907"	269.212224	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M-2H"	-2.014552
"441296"	404.321974	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M-2H"	-2.014552
"822982"	134.102474	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-2H"	-2.014552
"86251"	539.431724	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M-H"	-1.007276
"520106"	809.651224	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M-H"	-1.007276
"900343"	269.212224	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-H"	-1.007276
"52531"	556.458271	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M-2H+NH4"	16.019271
"498291"	826.677771	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M-2H+NH4"	16.019271
"867707"	286.238771	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-2H+NH4"	16.019271
"38890"	561.413666	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M-2H+Na"	20.974666
"474441"	831.633166	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M-2H+Na"	20.974666
"856255"	291.194166	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-2H+Na"	20.974666
"1624694"	291.194166	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Na-2H"	20.974666
"97942"	287.200563	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M-H+Cl"	33.962126
"540784"	422.310313	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M-H+Cl"	33.962126
"929194"	152.090813	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-H+Cl"	33.962126
"268844"	575.408402	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+Cl"	34.969402
"660650"	845.627902	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+Cl"	34.969402
"1275126"	305.188902	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Cl"	34.969402
"17072"	577.387606	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M-2H+K"	36.948606
"463075"	847.607106	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M-2H+K"	36.948606
"840888"	307.168106	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-2H+K"	36.948606
"1561095"	307.168106	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+K-2H"	36.948606
"945332"	315.217694	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-H+HCOOH"	44.998194
"365005"	585.437201	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+HCOOH-H"	44.998201
"353271"	599.452851	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+Hac-H"	59.013851
"1500283"	329.233351	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Hac-H"	59.013851
"970010"	337.199651	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-H+NaCOOH"	66.980151
"117461"	305.188902	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+2Cl"	69.938804
"559207"	440.298652	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+2Cl"	69.938804
"1028005"	170.079152	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2Cl"	69.938804
"1249774"	349.138385	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Br"	78.918885
"1310036"	351.194372	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Cl+HCOOH"	80.974872
"1333001"	373.176329	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Cl+NaCOOH"	102.956829
"924796"	383.205086	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M-H+CF3COOH"	112.985586
"1302960"	419.181764	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Cl+CF3COOH"	148.962264
"1375652"	235.206824	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H-2H2O"	-35.012676
"1390961"	253.2168	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H-H2O"	-17.0027
"288460"	541.446276	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+H"	1.007276
"684161"	811.665776	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+H"	1.007276
"1358320"	271.226776	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H"	1.007276
"132303"	271.226776	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+2H"	2.014552
"579517"	406.336526	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+2H"	2.014552
"1041755"	136.117026	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2H"	2.014552
"205648"	181.153609333333	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+3H"	3.021828
"649218"	271.226776	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+3H"	3.021828
"1167343"	91.0804426666667	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+3H"	3.021828
"429524"	558.472823	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+NH4"	18.033823
"788695"	828.692323	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+NH4"	18.033823
"1684296"	288.253323	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+NH4"	18.033823
"334761"	279.7400495	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+H+NH4"	19.041099
"727547"	414.8497995	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+H+NH4"	19.041099
"1483188"	144.6302995	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H+NH4"	19.041099
"394090"	563.428218	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+Na"	22.989218
"757030"	833.647718	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+Na"	22.989218
"1607317"	293.208718	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Na"	22.989218
"320269"	282.217747	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+H+Na"	23.996494
"711600"	417.327497	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+H+Na"	23.996494
"1468699"	147.107997	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H+Na"	23.996494
"1057571"	98.4077566666667	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2H+Na"	25.00377
"1260344"	303.252986	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+CH3OH+H"	33.033486
"378919"	579.402158	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+K"	38.963158
"742101"	849.621658	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+K"	38.963158
"1540391"	309.182658	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+K"	38.963158
"300241"	290.204717	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+H+K"	39.970434
"697036"	425.314467	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+H+K"	39.970434
"1455229"	155.094967	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H+K"	39.970434
"247111"	582.472826	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+ACN+H"	42.033826
"1211807"	312.253326	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+ACN+H"	42.033826
"1198241"	156.630301	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+ACN+2H"	43.041102
"197673"	585.41016	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+2Na-H"	44.97116
"637234"	855.62966	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+2Na-H"	44.97116
"1142923"	315.19066	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2Na-H"	44.97116
"184038"	293.208718	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+2Na"	45.978436
"625059"	428.318468	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+2Na"	45.978436
"1131125"	158.098968	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2Na"	45.978436
"1410994"	105.735070666667	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H+2Na"	46.985712
"1441650"	317.232246	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H+HCOOH"	47.012746
"232442"	298.24174	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+3H2O+2H"	56.04448
"1519773"	331.28429	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+IsoProp+H"	61.06479
"412532"	301.195688	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+Na+K"	61.952376
"774623"	436.305438	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+Na+K"	61.952376
"1670953"	166.085938	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Na+K"	61.952376
"261845"	604.454768	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+ACN+Na"	64.015768
"1237834"	334.235268	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+ACN+Na"	64.015768
"1719066"	334.258793	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+NH4+HCOOH"	64.039293
"1180048"	113.062384666667	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+3Na"	68.967654
"1657595"	339.214188	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Na+HCOOH"	68.994688
"163363"	617.35804	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+2K-H"	76.91904
"605110"	887.57754	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+2K-H"	76.91904
"1090716"	347.13854	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2K-H"	76.91904
"145349"	309.182658	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"2M+2K"	77.926316
"584910"	444.292408	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"3M+2K"	77.926316
"1070878"	174.072908	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2K"	77.926316
"1102994"	349.153092	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2K+H"	78.933592
"1339016"	349.240707	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+DMSO+H"	79.021207
"1006943"	353.279876	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2ACN+H"	83.060376
"1526042"	354.273508	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+IsoProp+Na+H"	84.054008
"990537"	177.143576	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+2ACN+2H"	84.067652
"1595386"	355.188128	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+K+HCOOH"	84.968628
"1423233"	385.219638	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+H+CF3COOH"	115.000138
"1155707"	197.656851	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+3ACN+2H"	125.094202
"1701977"	402.246185	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+NH4+CF3COOH"	132.026685
"1649783"	407.20158	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+Na+CF3COOH"	136.98208
"1584214"	423.17552	"C19614"	"16-Oxo-palmitate"	"C16H30O3"	"270.2195"	"M+K+CF3COOH"	152.95602
"811301"	286.2144	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M"	0
"987021"	267.19601	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-H2O-H"	-19.01839
"77088"	189.802324	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M-3H"	-3.021828
"516285"	285.207124	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M-3H"	-3.021828
"891533"	94.397524	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-3H"	-3.021828
"11204"	285.207124	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M-2H"	-2.014552
"448575"	428.314324	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M-2H"	-2.014552
"819815"	142.099924	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-2H"	-2.014552
"85269"	571.421524	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M-H"	-1.007276
"520458"	857.635924	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M-H"	-1.007276
"902639"	285.207124	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-H"	-1.007276
"57746"	588.448071	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M-2H+NH4"	16.019271
"496215"	874.662471	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M-2H+NH4"	16.019271
"873289"	302.233671	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-2H+NH4"	16.019271
"37908"	593.403466	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M-2H+Na"	20.974666
"474187"	879.617866	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M-2H+Na"	20.974666
"857458"	307.189066	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-2H+Na"	20.974666
"1624804"	307.189066	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Na-2H"	20.974666
"99145"	303.195463	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M-H+Cl"	33.962126
"539801"	446.302663	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M-H+Cl"	33.962126
"930035"	160.088263	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-H+Cl"	33.962126
"268224"	607.398202	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+Cl"	34.969402
"665022"	893.612602	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+Cl"	34.969402
"1274507"	321.183802	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Cl"	34.969402
"17428"	609.377406	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M-2H+K"	36.948606
"456989"	895.591806	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M-2H+K"	36.948606
"840998"	323.163006	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-2H+K"	36.948606
"1562299"	323.163006	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+K-2H"	36.948606
"951274"	331.212594	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-H+HCOOH"	44.998194
"367302"	617.427001	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+HCOOH-H"	44.998201
"353381"	631.442651	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+Hac-H"	59.013851
"1498206"	345.228251	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Hac-H"	59.013851
"967569"	353.194551	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-H+NaCOOH"	66.980151
"123037"	321.183802	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+2Cl"	69.938804
"559317"	464.291002	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+2Cl"	69.938804
"1028115"	178.076602	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2Cl"	69.938804
"1250977"	365.133285	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Br"	78.918885
"1313426"	367.189272	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Cl+HCOOH"	80.974872
"1334934"	389.171229	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Cl+NaCOOH"	102.956829
"926609"	399.199986	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M-H+CF3COOH"	112.985586
"1301973"	435.176664	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Cl+CF3COOH"	148.962264
"1380864"	251.201724	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H-2H2O"	-35.012676
"1394351"	269.2117	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H-H2O"	-17.0027
"289664"	573.436076	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+H"	1.007276
"686458"	859.650476	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+H"	1.007276
"1358430"	287.221676	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H"	1.007276
"132413"	287.221676	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+2H"	2.014552
"580235"	430.328876	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+2H"	2.014552
"1045146"	144.114476	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2H"	2.014552
"206853"	191.816876	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+3H"	3.021828
"650421"	287.221676	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+3H"	3.021828
"1170734"	96.412076	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+3H"	3.021828
"431821"	590.462623	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+NH4"	18.033823
"795004"	876.677023	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+NH4"	18.033823
"1692425"	304.248223	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+NH4"	18.033823
"338517"	295.7349495	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+H+NH4"	19.041099
"728752"	438.8421495	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+H+NH4"	19.041099
"1484757"	152.6277495	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H+NH4"	19.041099
"401250"	595.418018	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+Na"	22.989218
"761152"	881.632418	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+Na"	22.989218
"1611439"	309.203618	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Na"	22.989218
"324756"	298.212647	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+H+Na"	23.996494
"714993"	441.319847	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+H+Na"	23.996494
"1473186"	155.105447	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H+Na"	23.996494
"1059871"	103.73939	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2H+Na"	25.00377
"1268111"	319.247886	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+CH3OH+H"	33.033486
"384498"	611.391958	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+K"	38.963158
"744400"	897.606358	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+K"	38.963158
"1542083"	325.177558	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+K"	38.963158
"305819"	306.199617	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+H+K"	39.970434
"704800"	449.306817	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+H+K"	39.970434
"1458620"	163.092417	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H+K"	39.970434
"249046"	614.462626	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+ACN+H"	42.033826
"1218843"	328.248226	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+ACN+H"	42.033826
"1202726"	164.627751	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+ACN+2H"	43.041102
"199969"	617.39996	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+2Na-H"	44.97116
"639894"	903.61436	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+2Na-H"	44.97116
"1143035"	331.18556	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2Na-H"	44.97116
"180865"	309.203618	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+2Na"	45.978436
"621520"	452.310818	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+2Na"	45.978436
"1122837"	166.096418	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2Na"	45.978436
"1405270"	111.066704	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H+2Na"	46.985712
"1435199"	333.227146	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H+HCOOH"	47.012746
"232552"	314.23664	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+3H2O+2H"	56.04448
"1520247"	347.27919	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+IsoProp+H"	61.06479
"418110"	317.190588	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+Na+K"	61.952376
"775825"	460.297788	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+Na+K"	61.952376
"1672155"	174.083388	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Na+K"	61.952376
"261955"	636.444568	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+ACN+Na"	64.015768
"1239405"	350.230168	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+ACN+Na"	64.015768
"1725373"	350.253693	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+NH4+HCOOH"	64.039293
"1182345"	118.394018	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+3Na"	68.967654
"1663903"	355.209088	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Na+HCOOH"	68.994688
"164566"	649.34784	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+2K-H"	76.91904
"608500"	935.56224	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+2K-H"	76.91904
"1096294"	363.13344	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2K-H"	76.91904
"148739"	325.177558	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"2M+2K"	77.926316
"589394"	468.284758	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"3M+2K"	77.926316
"1074270"	182.070358	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2K"	77.926316
"1103836"	365.147992	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2K+H"	78.933592
"1340223"	365.235607	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+DMSO+H"	79.021207
"1006441"	369.274776	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2ACN+H"	83.060376
"1531257"	370.268408	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+IsoProp+Na+H"	84.054008
"990448"	185.141026	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+2ACN+2H"	84.067652
"1596589"	371.183028	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+K+HCOOH"	84.968628
"1424437"	401.214538	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+H+CF3COOH"	115.000138
"1155817"	205.654301	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+3ACN+2H"	125.094202
"1708649"	418.241085	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+NH4+CF3COOH"	132.026685
"1649798"	423.19648	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+Na+CF3COOH"	136.98208
"1584324"	439.17042	"C19615"	"Hexadecanedioate"	"C16H30O4"	"286.2144"	"M+K+CF3COOH"	152.95602
"811411"	298.2508	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M"	0
"984945"	279.23241	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-H2O-H"	-19.01839
"66627"	197.826590666667	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M-3H"	-3.021828
"510562"	297.243524	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M-3H"	-3.021828
"888363"	98.4096573333333	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-3H"	-3.021828
"6940"	297.243524	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M-2H"	-2.014552
"442125"	446.368924	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M-2H"	-2.014552
"817367"	148.118124	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-2H"	-2.014552
"82099"	595.494324	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M-H"	-1.007276
"518784"	893.745124	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M-H"	-1.007276
"902752"	297.243524	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-H"	-1.007276
"54940"	612.520871	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M-2H+NH4"	16.019271
"491222"	910.771671	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M-2H+NH4"	16.019271
"865130"	314.270071	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-2H+NH4"	16.019271
"35830"	617.476266	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M-2H+Na"	20.974666
"478674"	915.727066	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M-2H+Na"	20.974666
"854288"	319.225466	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-2H+Na"	20.974666
"1618876"	319.225466	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Na-2H"	20.974666
"95611"	315.231863	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M-H+Cl"	33.962126
"534809"	464.357263	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M-H+Cl"	33.962126
"934520"	166.106463	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-H+Cl"	33.962126
"268213"	631.471002	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+Cl"	34.969402
"663674"	929.721802	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+Cl"	34.969402
"1275348"	333.220202	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Cl"	34.969402
"16238"	633.450206	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M-2H+K"	36.948606
"459288"	931.701006	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M-2H+K"	36.948606
"837087"	335.199406	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-2H+K"	36.948606
"1562409"	335.199406	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+K-2H"	36.948606
"951384"	343.248994	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-H+HCOOH"	44.998194
"367412"	641.499801	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+HCOOH-H"	44.998201
"356771"	655.515451	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+Hac-H"	59.013851
"1499409"	357.264651	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Hac-H"	59.013851
"967679"	365.230951	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-H+NaCOOH"	66.980151
"122783"	333.220202	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+2Cl"	69.938804
"562708"	482.345602	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+2Cl"	69.938804
"1030412"	184.094802	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2Cl"	69.938804
"1249994"	377.169685	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Br"	78.918885
"1310256"	379.225672	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Cl+HCOOH"	80.974872
"1334315"	401.207629	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Cl+NaCOOH"	102.956829
"926107"	411.236386	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M-H+CF3COOH"	112.985586
"1298803"	447.213064	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Cl+CF3COOH"	148.962264
"1372591"	263.238124	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H-2H2O"	-35.012676
"1391181"	281.2481	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H-H2O"	-17.0027
"289774"	597.508876	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+H"	1.007276
"686568"	895.759676	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+H"	1.007276
"1358541"	299.258076	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H"	1.007276
"133616"	299.258076	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+2H"	2.014552
"577550"	448.383476	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+2H"	2.014552
"1041977"	150.132676	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2H"	2.014552
"214253"	199.841142666667	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+3H"	3.021828
"648345"	299.258076	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+3H"	3.021828
"1167564"	100.424209333333	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+3H"	3.021828
"433024"	614.535423	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+NH4"	18.033823
"791834"	912.786223	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+NH4"	18.033823
"1687071"	316.284623	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+NH4"	18.033823
"338630"	307.7713495	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+H+NH4"	19.041099
"728861"	456.8967495	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+H+NH4"	19.041099
"1481952"	158.6459495	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H+NH4"	19.041099
"396988"	619.490818	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+Na"	22.989218
"759077"	917.741618	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+Na"	22.989218
"1607177"	321.240018	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Na"	22.989218
"317214"	310.249047	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+H+Na"	23.996494
"714011"	459.374447	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+H+Na"	23.996494
"1467830"	161.123647	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H+Na"	23.996494
"1061076"	107.751523333333	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2H+Na"	25.00377
"1264942"	331.284286	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+CH3OH+H"	33.033486
"383515"	635.464758	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+K"	38.963158
"741231"	933.715558	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+K"	38.963158
"1542192"	337.213958	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+K"	38.963158
"302648"	318.236017	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+H+K"	39.970434
"702724"	467.361417	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+H+K"	39.970434
"1456544"	169.110617	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H+K"	39.970434
"242961"	638.535426	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+ACN+H"	42.033826
"1214580"	340.284626	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+ACN+H"	42.033826
"1202472"	170.645951	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+ACN+2H"	43.041102
"196438"	641.47276	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+2Na-H"	44.97116
"638549"	939.72356	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+2Na-H"	44.97116
"1141689"	343.22196	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2Na-H"	44.97116
"175510"	321.240018	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+2Na"	45.978436
"618351"	470.365418	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+2Na"	45.978436
"1120762"	172.114618	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2Na"	45.978436
"1410848"	115.078837333333	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H+2Na"	46.985712
"1440776"	345.263546	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H+HCOOH"	47.012746
"228284"	326.27304	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+3H2O+2H"	56.04448
"1519628"	359.31559	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+IsoProp+H"	61.06479
"418220"	329.226988	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+Na+K"	61.952376
"773749"	478.352388	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+Na+K"	61.952376
"1672265"	180.101588	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Na+K"	61.952376
"265346"	660.517368	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+ACN+Na"	64.015768
"1238785"	362.266568	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+ACN+Na"	64.015768
"1725483"	362.290093	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+NH4+HCOOH"	64.039293
"1184642"	122.406151333333	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+3Na"	68.967654
"1661096"	367.245488	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Na+HCOOH"	68.994688
"169051"	673.42064	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+2K-H"	76.91904
"611284"	971.67144	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+2K-H"	76.91904
"1096403"	375.16984	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2K-H"	76.91904
"148848"	337.213958	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"2M+2K"	77.926316
"588411"	486.339358	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"3M+2K"	77.926316
"1074016"	188.088558	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2K"	77.926316
"1105041"	377.184392	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2K+H"	78.933592
"1341427"	377.272007	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+DMSO+H"	79.021207
"1007892"	381.311176	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2ACN+H"	83.060376
"1531367"	382.304808	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+IsoProp+Na+H"	84.054008
"990764"	191.159226	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+2ACN+2H"	84.067652
"1596698"	383.219428	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+K+HCOOH"	84.968628
"1424547"	413.250938	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+H+CF3COOH"	115.000138
"1158116"	211.672501	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+3ACN+2H"	125.094202
"1711677"	430.277485	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+NH4+CF3COOH"	132.026685
"1649513"	435.23288	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+Na+CF3COOH"	136.98208
"1584434"	451.20682	"C19616"	"18-Hydroxyoleate"	"C18H34O3"	"298.2508"	"M+K+CF3COOH"	152.95602
"811521"	296.2351	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M"	0
"983961"	277.21671	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-H2O-H"	-19.01839
"66737"	196.482790666667	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M-3H"	-3.021828
"507755"	295.227824	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M-3H"	-3.021828
"888473"	97.7377573333333	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-3H"	-3.021828
"1579"	295.227824	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M-2H"	-2.014552
"442235"	443.345374	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M-2H"	-2.014552
"819304"	147.110274	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-2H"	-2.014552
"82209"	591.462924	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M-H"	-1.007276
"520679"	887.698024	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M-H"	-1.007276
"902862"	295.227824	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-H"	-1.007276
"55050"	608.489471	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M-2H+NH4"	16.019271
"496071"	904.724571	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M-2H+NH4"	16.019271
"869132"	312.254371	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-2H+NH4"	16.019271
"38128"	613.444866	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M-2H+Na"	20.974666
"478784"	909.679966	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M-2H+Na"	20.974666
"852575"	317.209766	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-2H+Na"	20.974666
"1619921"	317.209766	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Na-2H"	20.974666
"99001"	313.216163	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M-H+Cl"	33.962126
"536740"	461.333713	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M-H+Cl"	33.962126
"932078"	165.098613	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-H+Cl"	33.962126
"269903"	627.439602	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+Cl"	34.969402
"664877"	923.674702	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+Cl"	34.969402
"1279833"	331.204502	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Cl"	34.969402
"20929"	629.418806	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M-2H+K"	36.948606
"462315"	925.653906	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M-2H+K"	36.948606
"840117"	333.183706	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-2H+K"	36.948606
"1560331"	333.183706	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+K-2H"	36.948606
"947122"	341.233294	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-H+HCOOH"	44.998194
"364241"	637.468401	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+HCOOH-H"	44.998201
"356881"	651.484051	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+Hac-H"	59.013851
"1499155"	355.248951	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Hac-H"	59.013851
"967789"	363.215251	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-H+NaCOOH"	66.980151
"121071"	331.204502	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+2Cl"	69.938804
"562818"	479.322052	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+2Cl"	69.938804
"1030522"	183.086952	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2Cl"	69.938804
"1246824"	375.153985	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Br"	78.918885
"1310366"	377.209972	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Cl+HCOOH"	80.974872
"1331146"	399.191929	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Cl+NaCOOH"	102.956829
"925123"	409.220686	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M-H+CF3COOH"	112.985586
"1296725"	445.197364	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Cl+CF3COOH"	148.962264
"1369419"	261.222424	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H-2H2O"	-35.012676
"1383635"	279.2324	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H-H2O"	-17.0027
"285508"	593.477476	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+H"	1.007276
"676468"	889.712576	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+H"	1.007276
"1354278"	297.242376	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H"	1.007276
"128260"	297.242376	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+2H"	2.014552
"577660"	445.359926	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+2H"	2.014552
"1042087"	149.124826	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2H"	2.014552
"214363"	198.497342666667	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+3H"	3.021828
"647362"	297.242376	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+3H"	3.021828
"1167674"	99.7523093333333	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+3H"	3.021828
"433133"	610.504023	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+NH4"	18.033823
"790850"	906.739123	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+NH4"	18.033823
"1685720"	314.268923	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+NH4"	18.033823
"335457"	305.7556495	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+H+NH4"	19.041099
"728608"	453.8731995	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+H+NH4"	19.041099
"1481698"	157.6380995	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H+NH4"	19.041099
"396733"	615.459418	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+Na"	22.989218
"757363"	911.694518	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+Na"	22.989218
"1607287"	319.224318	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Na"	22.989218
"318417"	308.233347	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+H+Na"	23.996494
"713027"	456.350897	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+H+Na"	23.996494
"1470127"	160.115797	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H+Na"	23.996494
"1060092"	107.079623333333	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2H+Na"	25.00377
"1263958"	329.268586	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+CH3OH+H"	33.033486
"383627"	631.433358	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+K"	38.963158
"746810"	927.668458	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+K"	38.963158
"1545584"	335.198258	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+K"	38.963158
"306040"	316.220317	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+H+K"	39.970434
"699555"	464.337867	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+H+K"	39.970434
"1455562"	168.102767	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H+K"	39.970434
"247445"	634.504026	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+ACN+H"	42.033826
"1221615"	338.268926	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+ACN+H"	42.033826
"1205864"	169.638101	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+ACN+2H"	43.041102
"195816"	637.44136	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+2Na-H"	44.97116
"636471"	933.67646	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+2Na-H"	44.97116
"1141069"	341.20626	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2Na-H"	44.97116
"175984"	319.224318	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+2Na"	45.978436
"618461"	467.341868	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+2Na"	45.978436
"1119779"	171.106768	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2Na"	45.978436
"1413024"	114.406937333333	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H+2Na"	46.985712
"1440886"	343.247846	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H+HCOOH"	47.012746
"231674"	324.25734	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+3H2O+2H"	56.04448
"1520831"	357.29989	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+IsoProp+H"	61.06479
"422342"	327.211288	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+Na+K"	61.952376
"780420"	475.328838	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+Na+K"	61.952376
"1680030"	179.093738	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Na+K"	61.952376
"266188"	656.485968	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+ACN+Na"	64.015768
"1239627"	360.250868	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+ACN+Na"	64.015768
"1727053"	360.274393	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+NH4+HCOOH"	64.039293
"1190221"	121.734251333333	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+3Na"	68.967654
"1663402"	365.229788	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Na+HCOOH"	68.994688
"171595"	669.38924	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+2K-H"	76.91904
"611884"	965.62434	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+2K-H"	76.91904
"1098826"	373.15414	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2K-H"	76.91904
"155276"	335.198258	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"2M+2K"	77.926316
"593988"	483.315808	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"3M+2K"	77.926316
"1080686"	187.080708	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2K"	77.926316
"1109524"	375.168692	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2K+H"	78.933592
"1343724"	375.256307	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+DMSO+H"	79.021207
"1008971"	379.295476	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2ACN+H"	83.060376
"1526248"	380.289108	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+IsoProp+Na+H"	84.054008
"990872"	190.151376	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+2ACN+2H"	84.067652
"1589148"	381.203728	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+K+HCOOH"	84.968628
"1424651"	411.235238	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+H+CF3COOH"	115.000138
"1151660"	210.664651	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+3ACN+2H"	125.094202
"1702306"	428.261785	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+NH4+CF3COOH"	132.026685
"1649624"	433.21718	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+Na+CF3COOH"	136.98208
"1584544"	449.19112	"C19617"	"18-Oxooleate"	"C18H32O3"	"296.2351"	"M+K+CF3COOH"	152.95602
"810538"	312.2301	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M"	0
"985894"	293.21171	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"73408"	207.146124	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"510782"	311.222824	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"891863"	103.069424	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"2782"	311.222824	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"451092"	467.337874	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"824519"	155.107774	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"83416"	623.452924	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"525165"	935.683024	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"908805"	311.222824	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"58441"	640.479471	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"500678"	952.709571	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"870703"	328.249371	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"41519"	645.434866	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"485214"	957.664966	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"859977"	333.204766	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1631698"	333.204766	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"106040"	329.211163	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"538672"	485.326213	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"938021"	173.096113	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"275486"	659.429602	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"667907"	971.659702	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1281404"	347.199502	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"21771"	661.408806	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"462423"	973.638906	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"840224"	349.178706	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1564815"	349.178706	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"943952"	357.228294	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"363261"	669.458401	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"355898"	683.474051	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1499265"	371.243951	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"968993"	379.210251	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"120089"	347.199502	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"561836"	503.314552	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1030632"	191.084452	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1250214"	391.148985	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1313756"	393.204972	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1327977"	415.186929	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"922683"	425.215686	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1296835"	461.192364	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1367947"	277.217424	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1383374"	295.2274	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"285616"	625.467476	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"681318"	937.697576	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1353293"	313.237376	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"127640"	313.237376	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"574490"	469.352426	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1042197"	157.122326	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"211192"	209.160676	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"650384"	313.237376	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1167053"	105.083976	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"428870"	642.494023	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"791321"	954.724123	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1682912"	330.263923	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"331069"	321.7506495	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"726893"	477.8656995	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1480350"	165.6355995	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"397933"	647.449418	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"758204"	959.679518	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1607393"	335.219318	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"319620"	324.228347	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"712043"	480.343397	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1466958"	168.113297	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1060202"	112.41129	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1258602"	345.263586	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"380459"	663.423358	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"745828"	975.653458	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1547881"	351.193258	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"308337"	332.215317	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"700759"	488.330367	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1453488"	176.100267	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"249016"	666.494026	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1223913"	354.263926	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1205611"	177.635601	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"197024"	669.43136	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"634761"	981.66146	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1140090"	357.20126	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"186910"	335.219318	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"622945"	491.334368	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1130830"	179.104268	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1413382"	119.738604	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1436623"	359.242846	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"232517"	340.25234	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1520943"	373.29489	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"423549"	343.206288	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"782719"	499.321338	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1678686"	187.091238	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"265209"	688.475968	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1236093"	376.245868	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1726803"	376.269393	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1192154"	127.065918	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1664724"	381.224788	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"170976"	701.37924	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"612116"	1013.60934	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1099544"	389.14914	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"155507"	351.193258	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"591912"	507.308308	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1075333"	195.078208	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1106354"	391.163692	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1341647"	391.251307	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1007991"	395.290476	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1524333"	396.284108	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"992564"	198.148876	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1593636"	397.198728	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1422574"	427.230238	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1151770"	218.662151	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1700227"	444.256785	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1638069"	449.21218	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1584654"	465.18612	"C19618"	"Octadec-9-ene-118-dioic-acid"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"803720"	204.1878	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M"	0
"987461"	185.16941	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"76798"	135.117924	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"514170"	203.180524	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"886505"	67.055324	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"1432"	203.180524	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"442453"	305.274424	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"818795"	101.086624	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"83527"	407.368324	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"525275"	611.556124	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"910741"	203.180524	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-H"	-1.007276
"60010"	424.394871	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502534"	628.582671	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873730"	220.207071	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44910"	429.350266	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485445"	633.538066	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856807"	225.162466	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1632537"	225.162466	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"103962"	221.168863	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"540242"	323.262763	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"935944"	119.074963	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"276689"	443.345002	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"666923"	647.532802	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1282607"	239.157202	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"20789"	445.324206	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"462535"	649.512006	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"839242"	241.136406	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1569664"	241.136406	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"945157"	249.185994	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374306"	453.373801	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"354913"	467.389451	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1501562"	263.201651	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"969103"	271.167951	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120198"	239.157202	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"557574"	341.251102	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030742"	137.063302	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1247044"	283.106685	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1314960"	285.162672	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1329179"	307.144629	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"923521"	317.173386	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1296945"	353.150064	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372919"	169.175124	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1384217"	187.1851	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"287913"	409.382876	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+H"	1.007276
"683615"	613.570676	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1355590"	205.195076	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H"	1.007276
"128842"	205.195076	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"578974"	307.288976	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1042307"	103.101176	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2H"	2.014552
"208750"	137.132476	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"649402"	205.195076	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1169715"	69.069876	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431167"	426.409423	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"794348"	630.597223	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1683752"	222.221623	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"333854"	213.7083495	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729191"	315.8022495	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1482646"	111.6144495	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"399503"	431.364818	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"759404"	635.552618	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609691"	227.177018	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Na"	22.989218
"317541"	216.186047	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"712151"	318.279947	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463911"	114.092147	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1057033"	76.39719	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1259804"	237.221286	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"387130"	447.338758	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+K"	38.963158
"742659"	651.526558	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1553096"	243.150958	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+K"	38.963158
"312458"	224.173017	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700868"	326.266917	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1453598"	122.079117	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"250708"	450.409426	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225545"	246.221626	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1202075"	123.614451	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"197134"	453.34676	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"638878"	657.53456	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1143476"	249.15896	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187384"	227.177018	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623055"	329.270918	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129841"	125.083118	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1410086"	83.724504	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1432723"	251.200546	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234937"	232.21004	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522876"	265.25259	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"423539"	235.163988	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783559"	337.257888	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1680747"	133.070088	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"265567"	472.391368	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1239976"	268.203568	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1726188"	268.227093	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1191901"	91.051818	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1664347"	273.182488	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"172143"	485.29464	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"612065"	689.48244	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1099288"	281.10684	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154645"	243.150958	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"593114"	345.244858	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1082000"	141.057058	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111931"	283.121392	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1348683"	283.209007	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1008221"	287.248176	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1527320"	288.241808	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"994861"	144.127726	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1594837"	289.156428	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417216"	319.187938	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1151880"	164.641001	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1699243"	336.214485	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641459"	341.16988	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1584764"	357.14382	"C19619"	"()-Germacrene D"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802130"	314.2457	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M"	0
"985384"	295.22731	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-H2O-H"	-19.01839
"71441"	208.489857333333	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M-3H"	-3.021828
"511000"	313.238424	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M-3H"	-3.021828
"886615"	103.741290666667	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-3H"	-3.021828
"814"	313.238424	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M-2H"	-2.014552
"442563"	470.361274	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M-2H"	-2.014552
"817811"	156.115574	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-2H"	-2.014552
"84731"	627.484124	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M-H"	-1.007276
"522102"	941.729824	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M-H"	-1.007276
"911318"	313.238424	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-H"	-1.007276
"60606"	644.510671	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M-2H+NH4"	16.019271
"502752"	958.756371	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M-2H+NH4"	16.019271
"879066"	330.264971	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-2H+NH4"	16.019271
"47137"	649.466066	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M-2H+Na"	20.974666
"484584"	963.711766	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M-2H+Na"	20.974666
"860198"	335.220366	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-2H+Na"	20.974666
"1627545"	335.220366	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Na-2H"	20.974666
"104073"	331.226763	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M-H+Cl"	33.962126
"547644"	488.349613	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M-H+Cl"	33.962126
"940794"	174.103913	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-H+Cl"	33.962126
"280811"	663.460802	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+Cl"	34.969402
"675422"	977.706502	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+Cl"	34.969402
"1285998"	349.215102	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Cl"	34.969402
"21992"	665.440006	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M-2H+K"	36.948606
"464831"	979.685706	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M-2H+K"	36.948606
"842635"	351.194306	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-2H+K"	36.948606
"1566122"	351.194306	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+K-2H"	36.948606
"951823"	359.243894	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-H+HCOOH"	44.998194
"368946"	673.489601	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+HCOOH-H"	44.998201
"351743"	687.505251	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+Hac-H"	59.013851
"1501672"	373.259551	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Hac-H"	59.013851
"969213"	381.225851	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-H+NaCOOH"	66.980151
"120308"	349.215102	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+2Cl"	69.938804
"558777"	506.337952	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+2Cl"	69.938804
"1030851"	192.092252	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2Cl"	69.938804
"1250434"	393.164585	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Br"	78.918885
"1312883"	395.220572	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Cl+HCOOH"	80.974872
"1328196"	417.202529	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Cl+NaCOOH"	102.956829
"923631"	427.231286	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M-H+CF3COOH"	112.985586
"1297055"	463.207964	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Cl+CF3COOH"	148.962264
"1373029"	279.233024	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H-2H2O"	-35.012676
"1383032"	297.243	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H-H2O"	-17.0027
"286930"	629.498676	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+H"	1.007276
"684819"	943.744376	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+H"	1.007276
"1353514"	315.252976	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H"	1.007276
"127497"	315.252976	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+2H"	2.014552
"576898"	472.375826	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+2H"	2.014552
"1044604"	158.130126	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2H"	2.014552
"209954"	210.504409333333	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+3H"	3.021828
"650241"	315.252976	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+3H"	3.021828
"1167276"	105.755842666667	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+3H"	3.021828
"429817"	646.525223	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+NH4"	18.033823
"790081"	960.770923	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+NH4"	18.033823
"1686049"	332.279523	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+NH4"	18.033823
"334693"	323.7662495	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+H+NH4"	19.041099
"729301"	480.8890995	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+H+NH4"	19.041099
"1482393"	166.6433995	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H+NH4"	19.041099
"394878"	651.480618	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+Na"	22.989218
"757331"	965.726318	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+Na"	22.989218
"1603610"	337.234918	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Na"	22.989218
"316560"	326.243947	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+H+Na"	23.996494
"710074"	483.366797	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+H+Na"	23.996494
"1462680"	169.121097	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H+Na"	23.996494
"1053377"	113.083156666667	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2H+Na"	25.00377
"1258216"	347.279186	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+CH3OH+H"	33.033486
"381774"	667.454558	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+K"	38.963158
"746051"	981.700258	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+K"	38.963158
"1544820"	353.208858	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+K"	38.963158
"300904"	334.230917	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+H+K"	39.970434
"703167"	491.353767	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+H+K"	39.970434
"1453709"	177.108067	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H+K"	39.970434
"249600"	670.525226	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+ACN+H"	42.033826
"1225552"	356.279526	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+ACN+H"	42.033826
"1202185"	178.643401	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+ACN+2H"	43.041102
"196151"	673.46256	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+2Na-H"	44.97116
"636803"	987.70826	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+2Na-H"	44.97116
"1140308"	359.21686	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2Na-H"	44.97116
"187617"	337.234918	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+2Na"	45.978436
"627179"	494.357768	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+2Na"	45.978436
"1129956"	180.112068	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2Na"	45.978436
"1405821"	120.410470666667	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H+2Na"	46.985712
"1445417"	361.258446	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H+HCOOH"	47.012746
"235597"	342.26794	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+3H2O+2H"	56.04448
"1523852"	375.31049	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+IsoProp+H"	61.06479
"423162"	345.221888	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+Na+K"	61.952376
"785251"	502.344738	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+Na+K"	61.952376
"1679271"	188.099038	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Na+K"	61.952376
"265670"	692.507168	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+ACN+Na"	64.015768
"1240082"	378.261468	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+ACN+Na"	64.015768
"1727021"	378.284993	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+NH4+HCOOH"	64.039293
"1192740"	127.737784666667	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+3Na"	68.967654
"1664460"	383.240388	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Na+HCOOH"	68.994688
"169492"	705.41044	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+2K-H"	76.91904
"611242"	1019.65614	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+2K-H"	76.91904
"1098673"	391.16474	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2K-H"	76.91904
"153666"	353.208858	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"2M+2K"	77.926316
"594318"	510.331708	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"3M+2K"	77.926316
"1081021"	196.086008	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2K"	77.926316
"1109494"	393.179292	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2K+H"	78.933592
"1346971"	393.266907	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+DMSO+H"	79.021207
"1010397"	397.306076	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2ACN+H"	83.060376
"1528523"	398.299708	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+IsoProp+Na+H"	84.054008
"994971"	199.156676	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+2ACN+2H"	84.067652
"1594947"	399.214328	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+K+HCOOH"	84.968628
"1417326"	429.245838	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+H+CF3COOH"	115.000138
"1153083"	219.669951	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+3ACN+2H"	125.094202
"1699353"	446.272385	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+NH4+CF3COOH"	132.026685
"1636097"	451.22778	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+Na+CF3COOH"	136.98208
"1584874"	467.20172	"C19620"	"910-Epoxy-18-hydroxystearate"	"C18H34O4"	"314.2457"	"M+K+CF3COOH"	152.95602
"805399"	332.2563	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M"	0
"987681"	313.23791	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-H2O-H"	-19.01839
"73738"	220.496924	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M-3H"	-3.021828
"513297"	331.249024	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M-3H"	-3.021828
"890005"	109.744824	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-3H"	-3.021828
"2017"	331.249024	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M-2H"	-2.014552
"441576"	497.377174	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M-2H"	-2.014552
"824845"	165.120874	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-2H"	-2.014552
"83747"	663.505324	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M-H"	-1.007276
"525491"	995.761624	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M-H"	-1.007276
"910760"	331.249024	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-H"	-1.007276
"61324"	680.531871	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M-2H+NH4"	16.019271
"502225"	1012.788171	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M-2H+NH4"	16.019271
"877961"	348.275571	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-2H+NH4"	16.019271
"45983"	685.487266	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M-2H+Na"	20.974666
"479226"	1017.743566	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M-2H+Na"	20.974666
"853747"	353.230966	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-2H+Na"	20.974666
"1621821"	353.230966	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Na-2H"	20.974666
"99807"	349.237363	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M-H+Cl"	33.962126
"537906"	515.365513	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M-H+Cl"	33.962126
"929964"	183.109213	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-H+Cl"	33.962126
"270708"	699.482002	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+Cl"	34.969402
"664953"	1031.738302	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+Cl"	34.969402
"1280636"	367.225702	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Cl"	34.969402
"19182"	701.461206	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M-2H+K"	36.948606
"463846"	1033.717506	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M-2H+K"	36.948606
"839462"	369.204906	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-2H+K"	36.948606
"1566229"	369.204906	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+K-2H"	36.948606
"951933"	377.254494	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-H+HCOOH"	44.998194
"369056"	709.510801	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+HCOOH-H"	44.998201
"357316"	723.526451	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+Hac-H"	59.013851
"1506151"	391.270151	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Hac-H"	59.013851
"970411"	399.236451	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-H+NaCOOH"	66.980151
"117138"	367.225702	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+2Cl"	69.938804
"556699"	533.353852	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+2Cl"	69.938804
"1022578"	201.097552	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2Cl"	69.938804
"1251638"	411.175185	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Br"	78.918885
"1314086"	413.231172	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Cl+HCOOH"	80.974872
"1327213"	435.213129	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Cl+NaCOOH"	102.956829
"923742"	445.241886	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M-H+CF3COOH"	112.985586
"1295343"	481.218564	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Cl+CF3COOH"	148.962264
"1375326"	297.243624	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H-2H2O"	-35.012676
"1386261"	315.2536	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H-H2O"	-17.0027
"288134"	665.519876	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+H"	1.007276
"683836"	997.776176	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+H"	1.007276
"1351803"	333.263576	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H"	1.007276
"129430"	333.263576	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+2H"	2.014552
"578831"	499.391726	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+2H"	2.014552
"1047994"	167.135426	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2H"	2.014552
"214801"	222.511476	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+3H"	3.021828
"658859"	333.263576	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+3H"	3.021828
"1167384"	111.759376	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+3H"	3.021828
"429197"	682.546423	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+NH4"	18.033823
"790557"	1014.802723	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+NH4"	18.033823
"1684701"	350.290123	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+NH4"	18.033823
"335897"	341.7768495	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+H+NH4"	19.041099
"729412"	507.9049995	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+H+NH4"	19.041099
"1482867"	175.6486995	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H+NH4"	19.041099
"397173"	687.501818	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+Na"	22.989218
"757442"	1019.758118	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+Na"	22.989218
"1603233"	355.245518	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Na"	22.989218
"316670"	344.254547	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+H+Na"	23.996494
"711277"	510.382697	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+H+Na"	23.996494
"1463275"	178.126397	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H+Na"	23.996494
"1053003"	119.08669	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2H+Na"	25.00377
"1257147"	365.289786	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+CH3OH+H"	33.033486
"378603"	703.475758	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+K"	38.963158
"749441"	1035.732058	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+K"	38.963158
"1552584"	371.219458	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+K"	38.963158
"310854"	352.241517	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+H+K"	39.970434
"699998"	518.369667	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+H+K"	39.970434
"1453820"	186.113367	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H+K"	39.970434
"251300"	706.546426	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+ACN+H"	42.033826
"1225463"	374.290126	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+ACN+H"	42.033826
"1206303"	187.648701	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+ACN+2H"	43.041102
"197352"	709.48376	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+2Na-H"	44.97116
"639096"	1041.74006	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+2Na-H"	44.97116
"1144062"	377.22746	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2Na-H"	44.97116
"187605"	355.245518	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+2Na"	45.978436
"627046"	521.373668	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+2Na"	45.978436
"1129944"	189.117368	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2Na"	45.978436
"1408118"	126.414004	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H+2Na"	46.985712
"1444128"	379.269046	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H+HCOOH"	47.012746
"234319"	360.27854	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+3H2O+2H"	56.04448
"1523351"	393.32109	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+IsoProp+H"	61.06479
"422789"	363.232488	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+Na+K"	61.952376
"784754"	529.360638	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+Na+K"	61.952376
"1679379"	197.104338	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Na+K"	61.952376
"265781"	728.528368	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+ACN+Na"	64.015768
"1238613"	396.272068	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+ACN+Na"	64.015768
"1724584"	396.295593	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+NH4+HCOOH"	64.039293
"1191031"	133.741318	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+3Na"	68.967654
"1664570"	401.250988	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Na+HCOOH"	68.994688
"169242"	741.43164	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+2K-H"	76.91904
"610624"	1073.68794	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+2K-H"	76.91904
"1098420"	409.17534	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2K-H"	76.91904
"153776"	371.219458	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"2M+2K"	77.926316
"593337"	537.347608	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"3M+2K"	77.926316
"1080767"	205.091308	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2K"	77.926316
"1111789"	411.189892	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2K+H"	78.933592
"1347446"	411.277507	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+DMSO+H"	79.021207
"1010507"	415.316676	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2ACN+H"	83.060376
"1528633"	416.310308	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+IsoProp+Na+H"	84.054008
"991798"	208.161976	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+2ACN+2H"	84.067652
"1595057"	417.224928	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+K+HCOOH"	84.968628
"1417436"	447.256438	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+H+CF3COOH"	115.000138
"1153194"	228.675251	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+3ACN+2H"	125.094202
"1701651"	464.282985	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+NH4+CF3COOH"	132.026685
"1635478"	469.23838	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+Na+CF3COOH"	136.98208
"1584984"	485.21232	"C19621"	"91018-Trihydroxystearate"	"C18H36O5"	"332.2563"	"M+K+CF3COOH"	152.95602
"808789"	316.2614	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M"	0
"985604"	297.24301	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-H2O-H"	-19.01839
"73845"	209.833657333333	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M-3H"	-3.021828
"514500"	315.254124	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M-3H"	-3.021828
"890115"	104.413190666667	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-3H"	-3.021828
"3220"	315.254124	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M-2H"	-2.014552
"442780"	473.384824	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M-2H"	-2.014552
"827142"	157.123424	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-2H"	-2.014552
"87137"	631.515524	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M-H"	-1.007276
"522688"	947.776924	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M-H"	-1.007276
"910708"	315.254124	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-H"	-1.007276
"57788"	648.542071	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M-2H+NH4"	16.019271
"501974"	964.803471	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M-2H+NH4"	16.019271
"877340"	332.280671	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-2H+NH4"	16.019271
"45240"	653.497466	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M-2H+Na"	20.974666
"476784"	969.758866	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M-2H+Na"	20.974666
"852398"	337.236066	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-2H+Na"	20.974666
"1621931"	337.236066	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Na-2H"	20.974666
"101375"	333.242463	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M-H+Cl"	33.962126
"538383"	491.373163	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M-H+Cl"	33.962126
"933357"	175.111763	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-H+Cl"	33.962126
"269361"	667.492202	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+Cl"	34.969402
"665062"	983.753602	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+Cl"	34.969402
"1278561"	351.230802	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Cl"	34.969402
"21117"	669.471406	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M-2H+K"	36.948606
"463957"	985.732806	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M-2H+K"	36.948606
"842854"	353.210006	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-2H+K"	36.948606
"1566339"	353.210006	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+K-2H"	36.948606
"955325"	361.259594	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-H+HCOOH"	44.998194
"369166"	677.521001	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+HCOOH-H"	44.998201
"357426"	691.536651	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+Hac-H"	59.013851
"1501885"	375.275251	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Hac-H"	59.013851
"967240"	383.241551	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-H+NaCOOH"	66.980151
"113967"	351.230802	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+2Cl"	69.938804
"557902"	509.361502	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+2Cl"	69.938804
"1026701"	193.100102	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2Cl"	69.938804
"1247374"	395.180285	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Br"	78.918885
"1314196"	397.236272	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Cl+HCOOH"	80.974872
"1327323"	419.218229	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Cl+NaCOOH"	102.956829
"917287"	429.246986	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M-H+CF3COOH"	112.985586
"1296182"	465.223664	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Cl+CF3COOH"	148.962264
"1376528"	281.248724	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H-2H2O"	-35.012676
"1389653"	299.2587	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H-H2O"	-17.0027
"287151"	633.530076	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+H"	1.007276
"678842"	949.791476	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+H"	1.007276
"1353003"	317.268676	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H"	1.007276
"130267"	317.268676	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+2H"	2.014552
"576025"	475.399376	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+2H"	2.014552
"1041543"	159.137976	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2H"	2.014552
"217098"	211.848209333333	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+3H"	3.021828
"652286"	317.268676	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+3H"	3.021828
"1169317"	106.427742666667	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+3H"	3.021828
"432952"	650.556623	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+NH4"	18.033823
"791033"	966.818023	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+NH4"	18.033823
"1689186"	334.295223	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+NH4"	18.033823
"336008"	325.7819495	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+H+NH4"	19.041099
"727699"	483.9126495	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+H+NH4"	19.041099
"1483343"	167.6512495	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H+NH4"	19.041099
"395462"	655.512018	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+Na"	22.989218
"756823"	971.773418	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+Na"	22.989218
"1606743"	339.250618	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Na"	22.989218
"316781"	328.259647	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+H+Na"	23.996494
"710660"	486.390347	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+H+Na"	23.996494
"1463751"	170.128947	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H+Na"	23.996494
"1055541"	113.755056666667	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2H+Na"	25.00377
"1261230"	349.294886	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+CH3OH+H"	33.033486
"381993"	671.485958	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+K"	38.963158
"746271"	987.747358	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+K"	38.963158
"1547234"	355.224558	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+K"	38.963158
"307690"	336.246617	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+H+K"	39.970434
"701201"	494.377317	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+H+K"	39.970434
"1458669"	178.115917	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H+K"	39.970434
"250678"	674.556626	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+ACN+H"	42.033826
"1224963"	358.295226	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+ACN+H"	42.033826
"1207142"	179.651251	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+ACN+2H"	43.041102
"198554"	677.49396	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+2Na-H"	44.97116
"638116"	993.75536	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+2Na-H"	44.97116
"1142352"	361.23256	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2Na-H"	44.97116
"185901"	339.250618	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+2Na"	45.978436
"625576"	497.381318	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+2Na"	45.978436
"1130423"	181.119918	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2Na"	45.978436
"1413216"	121.082370666667	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H+2Na"	46.985712
"1444725"	363.274146	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H+HCOOH"	47.012746
"234426"	344.28364	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+3H2O+2H"	56.04448
"1523904"	377.32619	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+IsoProp+H"	61.06479
"423506"	347.237588	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+Na+K"	61.952376
"784499"	505.368288	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+Na+K"	61.952376
"1679735"	189.106888	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Na+K"	61.952376
"266133"	696.538568	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+ACN+Na"	64.015768
"1236533"	380.277168	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+ACN+Na"	64.015768
"1726516"	380.300693	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+NH4+HCOOH"	64.039293
"1192233"	128.409684666667	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+3Na"	68.967654
"1663948"	385.256088	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Na+HCOOH"	68.994688
"169351"	709.44184	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+2K-H"	76.91904
"609642"	1025.70324	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+2K-H"	76.91904
"1097436"	393.18044	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2K-H"	76.91904
"150971"	355.224558	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"2M+2K"	77.926316
"590164"	513.355258	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"3M+2K"	77.926316
"1080511"	197.093858	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2K"	77.926316
"1110441"	395.194992	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2K+H"	78.933592
"1347556"	395.282607	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+DMSO+H"	79.021207
"1011710"	399.321776	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2ACN+H"	83.060376
"1528743"	400.315408	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+IsoProp+Na+H"	84.054008
"991909"	200.164526	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+2ACN+2H"	84.067652
"1595167"	401.230028	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+K+HCOOH"	84.968628
"1423014"	431.261538	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+H+CF3COOH"	115.000138
"1152211"	220.677801	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+3ACN+2H"	125.094202
"1700667"	448.288085	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+NH4+CF3COOH"	132.026685
"1637048"	453.24348	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+Na+CF3COOH"	136.98208
"1585094"	469.21742	"C19622"	"910-Dihydroxystearate"	"C18H36O4"	"316.2614"	"M+K+CF3COOH"	152.95602
"802339"	356.329	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M"	0
"980243"	337.31061	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H2O-H"	-19.01839
"73955"	236.545390666667	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-3H"	-3.021828
"514610"	355.321724	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-3H"	-3.021828
"889131"	117.769057333333	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-3H"	-3.021828
"5518"	355.321724	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H"	-2.014552
"445077"	533.486224	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H"	-2.014552
"822878"	177.157224	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H"	-2.014552
"87247"	711.650724	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-H"	-1.007276
"525714"	1067.979724	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-H"	-1.007276
"905710"	355.321724	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H"	-1.007276
"55711"	728.677271	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H+NH4"	16.019271
"494178"	1085.006271	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H+NH4"	16.019271
"874169"	372.348271	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H+NH4"	16.019271
"45350"	733.632666	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H+Na"	20.974666
"473978"	1089.961666	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H+Na"	20.974666
"852508"	377.303666	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H+Na"	20.974666
"1623134"	377.303666	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na-2H"	20.974666
"102214"	373.310063	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-H+Cl"	33.962126
"538858"	551.474563	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-H+Cl"	33.962126
"933103"	195.145563	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+Cl"	33.962126
"269835"	747.627402	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Cl"	34.969402
"665172"	1103.956402	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+Cl"	34.969402
"1279764"	391.298402	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl"	34.969402
"21226"	749.606606	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M-2H+K"	36.948606
"462974"	1105.935606	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M-2H+K"	36.948606
"841871"	393.277606	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-2H+K"	36.948606
"1563169"	393.277606	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K-2H"	36.948606
"953248"	401.327194	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+HCOOH"	44.998194
"367089"	757.656201	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+HCOOH-H"	44.998201
"355349"	771.671851	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Hac-H"	59.013851
"1497621"	415.342851	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Hac-H"	59.013851
"968079"	423.309151	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+NaCOOH"	66.980151
"115169"	391.298402	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2Cl"	69.938804
"552545"	569.462902	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2Cl"	69.938804
"1026811"	213.133902	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2Cl"	69.938804
"1247484"	435.247885	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Br"	78.918885
"1311026"	437.303872	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl+HCOOH"	80.974872
"1329619"	459.285829	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl+NaCOOH"	102.956829
"918490"	469.314586	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M-H+CF3COOH"	112.985586
"1295199"	505.291264	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Cl+CF3COOH"	148.962264
"1375545"	321.316324	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H-2H2O"	-35.012676
"1384292"	339.3263	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H-H2O"	-17.0027
"284345"	713.665276	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H"	1.007276
"676400"	1069.994276	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H"	1.007276
"1352750"	357.336276	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H"	1.007276
"130012"	357.336276	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2H"	2.014552
"568480"	535.500776	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2H"	2.014552
"1040195"	179.171776	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2H"	2.014552
"217207"	238.559942666667	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+3H"	3.021828
"651666"	357.336276	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+3H"	3.021828
"1169427"	119.783609333333	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+3H"	3.021828
"432333"	730.691823	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+NH4"	18.033823
"791143"	1087.020823	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+NH4"	18.033823
"1685652"	374.362823	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+NH4"	18.033823
"336847"	365.8495495	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H+NH4"	19.041099
"726716"	544.0140495	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H+NH4"	19.041099
"1480538"	187.6850495	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+NH4"	19.041099
"395208"	735.647218	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Na"	22.989218
"755477"	1091.976218	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+Na"	22.989218
"1604668"	379.318218	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na"	22.989218
"316163"	368.327247	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H+Na"	23.996494
"709314"	546.491747	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H+Na"	23.996494
"1464229"	190.162747	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+Na"	23.996494
"1059660"	127.110923333333	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2H+Na"	25.00377
"1264620"	389.362486	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+CH3OH+H"	33.033486
"384289"	751.621158	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+K"	38.963158
"746381"	1107.950158	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+K"	38.963158
"1548436"	395.292158	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K"	38.963158
"305613"	376.314217	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+H+K"	39.970434
"703134"	554.478717	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+H+K"	39.970434
"1460236"	198.149717	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+K"	39.970434
"251194"	754.691826	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+ACN+H"	42.033826
"1224222"	398.362826	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+ACN+H"	42.033826
"1208591"	199.685051	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+ACN+2H"	43.041102
"198665"	757.62916	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2Na-H"	44.97116
"637133"	1113.95816	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2Na-H"	44.97116
"1143555"	401.30016	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2Na-H"	44.97116
"186374"	379.318218	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2Na"	45.978436
"624227"	557.482718	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2Na"	45.978436
"1130657"	201.153718	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2Na"	45.978436
"1413082"	134.438237333333	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+2Na"	46.985712
"1444227"	403.341746	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+HCOOH"	47.012746
"234660"	384.35124	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+3H2O+2H"	56.04448
"1523687"	417.39379	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+IsoProp+H"	61.06479
"423616"	387.305188	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+Na+K"	61.952376
"784486"	565.469688	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+Na+K"	61.952376
"1679845"	209.140688	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na+K"	61.952376
"266123"	776.673768	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+ACN+Na"	64.015768
"1238830"	420.344768	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+ACN+Na"	64.015768
"1727720"	420.368293	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+NH4+HCOOH"	64.039293
"1191251"	141.765551333333	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+3Na"	68.967654
"1664060"	425.323688	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na+HCOOH"	68.994688
"169827"	789.57704	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2K-H"	76.91904
"610482"	1145.90604	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2K-H"	76.91904
"1097913"	433.24804	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2K-H"	76.91904
"152172"	395.292158	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"2M+2K"	77.926316
"590276"	573.456658	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"3M+2K"	77.926316
"1078436"	217.127658	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2K"	77.926316
"1112374"	435.262592	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2K+H"	78.933592
"1347300"	435.350207	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+DMSO+H"	79.021207
"1010727"	439.389376	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2ACN+H"	83.060376
"1527760"	440.383008	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+IsoProp+Na+H"	84.054008
"990235"	220.198326	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+2ACN+2H"	84.067652
"1595277"	441.297628	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K+HCOOH"	84.968628
"1423124"	471.329138	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+H+CF3COOH"	115.000138
"1153413"	240.711601	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+3ACN+2H"	125.094202
"1700047"	488.355685	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+NH4+CF3COOH"	132.026685
"1637887"	493.31108	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+Na+CF3COOH"	136.98208
"1585204"	509.28502	"C19623"	"22-Hydroxydocosanoate"	"C22H44O3"	"356.329"	"M+K+CF3COOH"	152.95602
"802449"	354.3134	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M"	0
"979260"	335.29501	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-H2O-H"	-19.01839
"74065"	235.201657333333	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M-3H"	-3.021828
"516543"	353.306124	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M-3H"	-3.021828
"891428"	117.097190666667	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-3H"	-3.021828
"5628"	353.306124	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M-2H"	-2.014552
"443001"	530.462824	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M-2H"	-2.014552
"822988"	176.149424	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-2H"	-2.014552
"90637"	707.619524	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M-H"	-1.007276
"528011"	1061.932924	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M-H"	-1.007276
"900352"	353.306124	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-H"	-1.007276
"59100"	724.646071	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M-2H+NH4"	16.019271
"491008"	1078.959471	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M-2H+NH4"	16.019271
"874279"	370.332671	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-2H+NH4"	16.019271
"45339"	729.601466	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M-2H+Na"	20.974666
"474452"	1083.914866	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M-2H+Na"	20.974666
"855533"	375.288066	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-2H+Na"	20.974666
"1623244"	375.288066	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Na-2H"	20.974666
"99042"	371.294463	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M-H+Cl"	33.962126
"540790"	548.451163	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M-H+Cl"	33.962126
"933212"	194.137763	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-H+Cl"	33.962126
"272862"	743.596202	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+Cl"	34.969402
"662123"	1097.909602	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+Cl"	34.969402
"1277687"	389.282802	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Cl"	34.969402
"18421"	745.575406	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M-2H+K"	36.948606
"458710"	1099.888806	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M-2H+K"	36.948606
"844166"	391.262006	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-2H+K"	36.948606
"1563279"	391.262006	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+K-2H"	36.948606
"953358"	399.311594	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-H+HCOOH"	44.998194
"368292"	753.625001	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+HCOOH-H"	44.998201
"354366"	767.640651	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+Hac-H"	59.013851
"1498095"	413.327251	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Hac-H"	59.013851
"967459"	421.293551	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-H+NaCOOH"	66.980151
"116367"	389.282802	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+2Cl"	69.938804
"553382"	566.439502	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+2Cl"	69.938804
"1025097"	212.126102	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2Cl"	69.938804
"1244677"	433.232285	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Br"	78.918885
"1306033"	435.288272	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Cl+HCOOH"	80.974872
"1329729"	457.270229	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Cl+NaCOOH"	102.956829
"916777"	467.298986	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M-H+CF3COOH"	112.985586
"1291663"	503.275664	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Cl+CF3COOH"	148.962264
"1370188"	319.300724	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H-2H2O"	-35.012676
"1384037"	337.3107	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H-H2O"	-17.0027
"283725"	709.634076	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+H"	1.007276
"676511"	1063.947476	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+H"	1.007276
"1352128"	355.320676	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H"	1.007276
"128298"	355.320676	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+2H"	2.014552
"567860"	532.477376	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+2H"	2.014552
"1041398"	178.163976	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2H"	2.014552
"210391"	237.216209333333	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+3H"	3.021828
"645942"	355.320676	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+3H"	3.021828
"1166256"	119.111742666667	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+3H"	3.021828
"426612"	726.660623	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+NH4"	18.033823
"786634"	1080.974023	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+NH4"	18.033823
"1682843"	372.347223	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+NH4"	18.033823
"331854"	363.8339495	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+H+NH4"	19.041099
"724273"	540.9906495	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+H+NH4"	19.041099
"1479555"	186.6772495	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H+NH4"	19.041099
"393859"	731.616018	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+Na"	22.989218
"754731"	1085.929418	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+Na"	22.989218
"1603075"	377.302618	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Na"	22.989218
"314445"	366.311647	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+H+Na"	23.996494
"708689"	543.468347	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+H+Na"	23.996494
"1462993"	189.154947	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H+Na"	23.996494
"1053932"	126.439056666667	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2H+Na"	25.00377
"1257150"	387.346886	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+CH3OH+H"	33.033486
"379659"	747.589958	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+K"	38.963158
"742479"	1101.903358	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+K"	38.963158
"1545265"	393.276558	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+K"	38.963158
"302441"	374.298617	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+H+K"	39.970434
"703611"	551.455317	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+H+K"	39.970434
"1456339"	197.141917	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H+K"	39.970434
"248218"	750.660626	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+ACN+H"	42.033826
"1220927"	396.347226	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+ACN+H"	42.033826
"1205904"	198.677251	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+ACN+2H"	43.041102
"196587"	753.59796	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+2Na-H"	44.97116
"635057"	1107.91136	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+2Na-H"	44.97116
"1138562"	399.28456	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2Na-H"	44.97116
"186240"	377.302618	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+2Na"	45.978436
"624701"	554.459318	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+2Na"	45.978436
"1128207"	200.145918	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2Na"	45.978436
"1413315"	133.766370666667	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H+2Na"	46.985712
"1444945"	401.326146	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H+HCOOH"	47.012746
"235291"	382.33564	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+3H2O+2H"	56.04448
"1523671"	415.37819	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+IsoProp+H"	61.06479
"423851"	385.289588	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+Na+K"	61.952376
"784473"	562.446288	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+Na+K"	61.952376
"1680440"	208.132888	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Na+K"	61.952376
"266721"	772.642568	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+ACN+Na"	64.015768
"1237846"	418.329168	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+ACN+Na"	64.015768
"1727707"	418.352693	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+NH4+HCOOH"	64.039293
"1191723"	141.093684666667	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+3Na"	68.967654
"1662710"	423.308088	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Na+HCOOH"	68.994688
"169936"	785.54584	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+2K-H"	76.91904
"608040"	1139.85924	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+2K-H"	76.91904
"1097657"	431.23244	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2K-H"	76.91904
"151917"	393.276558	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"2M+2K"	77.926316
"591480"	570.433258	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"3M+2K"	77.926316
"1078546"	216.119858	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2K"	77.926316
"1111026"	433.246992	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2K+H"	78.933592
"1347409"	433.334607	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+DMSO+H"	79.021207
"1008651"	437.373776	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2ACN+H"	83.060376
"1526777"	438.367408	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+IsoProp+Na+H"	84.054008
"990423"	219.190526	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+2ACN+2H"	84.067652
"1596480"	439.282028	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+K+HCOOH"	84.968628
"1424327"	469.313538	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+H+CF3COOH"	115.000138
"1152430"	239.703801	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+3ACN+2H"	125.094202
"1700157"	486.340085	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+NH4+CF3COOH"	132.026685
"1637633"	491.29548	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+Na+CF3COOH"	136.98208
"1585314"	507.26942	"C19624"	"22-Oxo-docosanoate"	"C22H42O3"	"354.3134"	"M+K+CF3COOH"	152.95602
"802559"	370.3083	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M"	0
"979370"	351.28991	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-H2O-H"	-19.01839
"74175"	245.864924	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M-3H"	-3.021828
"518110"	369.301024	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M-3H"	-3.021828
"889352"	122.428824	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-3H"	-3.021828
"7925"	369.301024	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M-2H"	-2.014552
"446392"	554.455174	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M-2H"	-2.014552
"824195"	184.146874	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-2H"	-2.014552
"89654"	739.609324	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M-H"	-1.007276
"528121"	1109.917624	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M-H"	-1.007276
"908848"	369.301024	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-H"	-1.007276
"53015"	756.635871	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M-2H+NH4"	16.019271
"494763"	1126.944171	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M-2H+NH4"	16.019271
"879010"	386.327571	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-2H+NH4"	16.019271
"44479"	761.591266	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M-2H+Na"	20.974666
"477480"	1131.899566	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M-2H+Na"	20.974666
"851636"	391.282966	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-2H+Na"	20.974666
"1620195"	391.282966	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Na-2H"	20.974666
"98424"	387.289363	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M-H+Cl"	33.962126
"536525"	572.443513	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M-H+Cl"	33.962126
"930040"	202.135213	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-H+Cl"	33.962126
"271879"	775.586002	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+Cl"	34.969402
"666488"	1145.894302	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+Cl"	34.969402
"1278892"	405.277702	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Cl"	34.969402
"21447"	777.565206	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M-2H+K"	36.948606
"459912"	1147.873506	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M-2H+K"	36.948606
"836622"	407.256906	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-2H+K"	36.948606
"1561204"	407.256906	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+K-2H"	36.948606
"956021"	415.306494	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-H+HCOOH"	44.998194
"373872"	785.614801	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+HCOOH-H"	44.998201
"357392"	799.630451	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+Hac-H"	59.013851
"1499299"	429.322151	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Hac-H"	59.013851
"966476"	437.288451	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-H+NaCOOH"	66.980151
"120853"	405.277702	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+2Cl"	69.938804
"559326"	590.431852	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+2Cl"	69.938804
"1030311"	220.123552	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2Cl"	69.938804
"1247703"	449.227185	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Br"	78.918885
"1309058"	451.283172	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Cl+HCOOH"	80.974872
"1332025"	473.265129	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Cl+NaCOOH"	102.956829
"917251"	483.293886	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M-H+CF3COOH"	112.985586
"1294325"	519.270564	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Cl+CF3COOH"	148.962264
"1376858"	335.295624	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H-2H2O"	-35.012676
"1385608"	353.3056	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H-H2O"	-17.0027
"287481"	741.623876	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+H"	1.007276
"680996"	1111.932176	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+H"	1.007276
"1354065"	371.315576	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H"	1.007276
"134609"	371.315576	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+2H"	2.014552
"568337"	556.469726	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+2H"	2.014552
"1039686"	186.161426	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2H"	2.014552
"211960"	247.879476	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+3H"	3.021828
"650793"	371.315576	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+3H"	3.021828
"1164907"	124.443376	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+3H"	3.021828
"430006"	758.650423	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+NH4"	18.033823
"790635"	1128.958723	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+NH4"	18.033823
"1685507"	388.342123	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+NH4"	18.033823
"335245"	379.8288495	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+H+NH4"	19.041099
"728757"	564.9829995	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+H+NH4"	19.041099
"1481491"	194.6746995	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H+NH4"	19.041099
"394704"	763.605818	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+Na"	22.989218
"755819"	1133.914118	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+Na"	22.989218
"1605986"	393.297518	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Na"	22.989218
"319304"	382.306547	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+H+Na"	23.996494
"712820"	567.460697	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+H+Na"	23.996494
"1466639"	197.152397	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H+Na"	23.996494
"1058792"	131.77069	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2H+Na"	25.00377
"1262659"	403.341786	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+CH3OH+H"	33.033486
"383420"	779.579758	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+K"	38.963158
"743319"	1149.888058	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+K"	38.963158
"1550478"	409.271458	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+K"	38.963158
"306926"	390.293517	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+H+K"	39.970434
"699348"	575.447667	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+H+K"	39.970434
"1456449"	205.139367	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H+K"	39.970434
"246871"	782.650426	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+ACN+H"	42.033826
"1223955"	412.342126	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+ACN+H"	42.033826
"1209340"	206.674701	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+ACN+2H"	43.041102
"201439"	785.58776	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+2Na-H"	44.97116
"639538"	1155.89606	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+2Na-H"	44.97116
"1136485"	415.27946	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2Na-H"	44.97116
"188173"	393.297518	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+2Na"	45.978436
"628464"	578.451668	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+2Na"	45.978436
"1125037"	208.143368	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2Na"	45.978436
"1414075"	139.098004	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H+2Na"	46.985712
"1442866"	417.321046	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H+HCOOH"	47.012746
"230375"	398.33054	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+3H2O+2H"	56.04448
"1515158"	431.37309	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+IsoProp+H"	61.06479
"421404"	401.284488	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+Na+K"	61.952376
"785586"	586.438638	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+Na+K"	61.952376
"1681270"	216.130338	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Na+K"	61.952376
"261968"	804.632368	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+ACN+Na"	64.015768
"1237960"	434.324068	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+ACN+Na"	64.015768
"1726478"	434.347593	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+NH4+HCOOH"	64.039293
"1190378"	146.425318	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+3Na"	68.967654
"1663187"	439.302988	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Na+HCOOH"	68.994688
"171141"	817.53564	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+2K-H"	76.91904
"610338"	1187.84394	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+2K-H"	76.91904
"1097403"	447.22734	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2K-H"	76.91904
"153488"	409.271458	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"2M+2K"	77.926316
"591587"	594.425608	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"3M+2K"	77.926316
"1080114"	224.117308	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2K"	77.926316
"1109313"	449.241892	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2K+H"	78.933592
"1348252"	449.329507	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+DMSO+H"	79.021207
"1013133"	453.368676	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2ACN+H"	83.060376
"1525912"	454.362308	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+IsoProp+Na+H"	84.054008
"990290"	227.187976	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+2ACN+2H"	84.067652
"1596590"	455.276928	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+K+HCOOH"	84.968628
"1421157"	485.308438	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+H+CF3COOH"	115.000138
"1151445"	247.701251	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+3ACN+2H"	125.094202
"1699174"	502.334985	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+NH4+CF3COOH"	132.026685
"1636650"	507.29038	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+Na+CF3COOH"	136.98208
"1585424"	523.26432	"C19625"	"Docosanedioate"	"C22H42O4"	"370.3083"	"M+K+CF3COOH"	152.95602
"802670"	195.0532	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M"	0
"983859"	176.03481	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-H2O-H"	-19.01839
"65541"	129.028190666667	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M-3H"	-3.021828
"509473"	194.045924	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M-3H"	-3.021828
"880228"	64.0104573333333	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-3H"	-3.021828
"6942"	194.045924	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M-2H"	-2.014552
"442130"	291.572524	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M-2H"	-2.014552
"819931"	96.519324	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-2H"	-2.014552
"79071"	389.099124	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M-H"	-1.007276
"528242"	584.152324	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M-H"	-1.007276
"908229"	194.045924	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-H"	-1.007276
"58232"	406.125671	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M-2H+NH4"	16.019271
"492327"	601.178871	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M-2H+NH4"	16.019271
"872313"	211.072471	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-2H+NH4"	16.019271
"39123"	411.081066	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M-2H+Na"	20.974666
"473214"	606.134266	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M-2H+Na"	20.974666
"855391"	216.027866	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-2H+Na"	20.974666
"1623465"	216.027866	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Na-2H"	20.974666
"94433"	212.034263	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M-H+Cl"	33.962126
"534478"	309.560863	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M-H+Cl"	33.962126
"927151"	114.507663	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-H+Cl"	33.962126
"268340"	425.075802	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+Cl"	34.969402
"660760"	620.129002	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+Cl"	34.969402
"1274257"	230.022602	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Cl"	34.969402
"17185"	427.055006	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M-2H+K"	36.948606
"457834"	622.108206	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M-2H+K"	36.948606
"841111"	232.001806	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-2H+K"	36.948606
"1559130"	232.001806	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+K-2H"	36.948606
"944825"	240.051394	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-H+HCOOH"	44.998194
"366329"	435.104601	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+HCOOH-H"	44.998201
"350577"	449.120251	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+Hac-H"	59.013851
"1502326"	254.067051	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Hac-H"	59.013851
"965495"	262.033351	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-H+NaCOOH"	66.980151
"119870"	230.022602	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+2Cl"	69.938804
"560528"	327.549202	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+2Cl"	69.938804
"1024589"	132.496002	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2Cl"	69.938804
"1245625"	273.972085	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Br"	78.918885
"1316826"	276.028072	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Cl+HCOOH"	80.974872
"1327764"	298.010029	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Cl+NaCOOH"	102.956829
"918822"	308.038786	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M-H+CF3COOH"	112.985586
"1294436"	344.015464	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Cl+CF3COOH"	148.962264
"1368587"	160.040524	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H-2H2O"	-35.012676
"1385717"	178.0505	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H-H2O"	-17.0027
"290872"	391.113676	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+H"	1.007276
"677218"	586.166876	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+H"	1.007276
"1353082"	196.060476	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H"	1.007276
"132533"	196.060476	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+2H"	2.014552
"569905"	293.587076	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+2H"	2.014552
"1045262"	98.533876	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2H"	2.014552
"207698"	131.042742666667	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+3H"	3.021828
"646529"	196.060476	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+3H"	3.021828
"1166114"	66.0250093333333	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+3H"	3.021828
"426834"	408.140223	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+NH4"	18.033823
"788195"	603.193423	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+NH4"	18.033823
"1685253"	213.087023	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+NH4"	18.033823
"332436"	204.5737495	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+H+NH4"	19.041099
"725962"	302.1003495	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+H+NH4"	19.041099
"1480874"	107.0471495	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H+NH4"	19.041099
"394330"	413.095618	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+Na"	22.989218
"755809"	608.148818	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+Na"	22.989218
"1607190"	218.042418	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Na"	22.989218
"316134"	207.051447	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+H+Na"	23.996494
"710744"	304.578047	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+H+Na"	23.996494
"1464564"	109.524847	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H+Na"	23.996494
"1053311"	73.3523233333333	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2H+Na"	25.00377
"1261676"	228.086686	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+CH3OH+H"	33.033486
"378427"	429.069558	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+K"	38.963158
"740516"	624.122758	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+K"	38.963158
"1542571"	234.016358	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+K"	38.963158
"301934"	215.038417	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+H+K"	39.970434
"693260"	312.565017	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+H+K"	39.970434
"1458017"	117.511817	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H+K"	39.970434
"246253"	432.140226	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+ACN+H"	42.033826
"1218597"	237.087026	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+ACN+H"	42.033826
"1199565"	119.047151	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+ACN+2H"	43.041102
"201547"	435.07756	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+2Na-H"	44.97116
"630173"	630.13076	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+2Na-H"	44.97116
"1144260"	240.02436	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2Na-H"	44.97116
"187429"	218.042418	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+2Na"	45.978436
"622735"	315.569018	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+2Na"	45.978436
"1129521"	120.515818	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2Na"	45.978436
"1406484"	80.6796373333333	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H+2Na"	46.985712
"1438602"	242.065946	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H+HCOOH"	47.012746
"225017"	223.07544	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+3H2O+2H"	56.04448
"1516359"	256.11799	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+IsoProp+H"	61.06479
"420417"	226.029388	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+Na+K"	61.952376
"782505"	323.555988	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+Na+K"	61.952376
"1677743"	128.502788	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Na+K"	61.952376
"263169"	454.122168	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+ACN+Na"	64.015768
"1236970"	259.068968	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+ACN+Na"	64.015768
"1724764"	259.092493	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+NH4+HCOOH"	64.039293
"1190485"	88.0069513333333	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+3Na"	68.967654
"1664390"	264.047888	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Na+HCOOH"	68.994688
"169796"	467.02544	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+2K-H"	76.91904
"608260"	662.07864	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+2K-H"	76.91904
"1093138"	271.97224	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2K-H"	76.91904
"152139"	234.016358	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"2M+2K"	77.926316
"591336"	331.542958	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"3M+2K"	77.926316
"1079859"	136.489758	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2K"	77.926316
"1112340"	273.986792	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2K+H"	78.933592
"1346535"	274.074407	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+DMSO+H"	79.021207
"1007774"	278.113576	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2ACN+H"	83.060376
"1526994"	279.107208	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+IsoProp+Na+H"	84.054008
"994543"	139.560426	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+2ACN+2H"	84.067652
"1596700"	280.021828	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+K+HCOOH"	84.968628
"1421269"	310.053338	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+H+CF3COOH"	115.000138
"1150461"	160.073701	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+3ACN+2H"	125.094202
"1701111"	327.079885	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+NH4+CF3COOH"	132.026685
"1637854"	332.03528	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+Na+CF3COOH"	136.98208
"1575693"	348.00922	"C19631"	"6-Hydroxy-3-succinoylpyridine;4-(6-Hydroxypyridin-3-yl)-4-oxobutanoate"	"C9H9NO4"	"195.0532"	"M+K+CF3COOH"	152.95602
"806060"	342.1162	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M"	0
"983969"	323.09781	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"68932"	227.070190666667	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"512864"	341.108924	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"889572"	113.031457333333	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"8146"	341.108924	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"448799"	512.167024	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"822228"	170.050824	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"81493"	683.225124	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"527259"	1025.341324	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"906152"	341.108924	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"53969"	700.251671	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"491341"	1042.367871	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"866591"	358.135471	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"39233"	705.207066	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"474418"	1047.323266	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"852584"	363.090866	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1622847"	363.090866	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"95360"	359.097263	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"536013"	530.155363	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"928438"	188.039163	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"269907"	719.201802	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"663786"	1061.318002	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1276191"	377.085602	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"19482"	721.181006	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"457823"	1063.297206	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"839034"	379.064806	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1558148"	379.064806	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"943844"	387.114394	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"366440"	729.230601	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"350687"	743.246251	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1501344"	401.130051	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"962689"	409.096351	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"119981"	377.085602	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"558451"	548.143702	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1021351"	206.027502	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1243183"	421.035085	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1307090"	423.091072	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1328969"	445.073029	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"917839"	455.101786	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1294546"	491.078464	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1368697"	307.103524	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1387287"	325.1135	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"286244"	685.239676	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"681219"	1027.355876	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1358660"	343.123476	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"130456"	343.123476	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"570015"	514.181576	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1043185"	172.065376	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"206348"	229.084742666667	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"646640"	343.123476	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1166222"	115.046009333333	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"425852"	702.266223	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"787940"	1044.382423	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1685001"	360.150023	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"331818"	351.6367495	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"724614"	522.6948495	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1479524"	180.5786495	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"395291"	707.221618	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"755921"	1049.337818	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1607300"	365.105418	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"315272"	354.114447	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"710854"	525.172547	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1466861"	183.056347	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1056826"	122.373323333333	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1262150"	375.149686	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"381453"	723.195558	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"746823"	1065.311758	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1548877"	381.079358	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"310792"	362.101417	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"701755"	533.159517	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1459707"	191.043317	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"249768"	726.266226	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1223080"	384.150026	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1205871"	192.578651	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"202385"	729.20356	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"635383"	1071.31976	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1142186"	387.08736	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"184019"	365.105418	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"624307"	536.163518	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1127813"	194.047318	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1408417"	129.700637333333	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1440172"	389.128946	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"228407"	370.13844	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1519752"	403.18099	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"419434"	373.092388	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"783711"	544.150488	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1679314"	202.034288	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"262553"	748.248168	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1238544"	406.131968	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1725973"	406.155493	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1189867"	137.027951333333	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1663408"	411.110888	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"169178"	761.15144	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"607644"	1103.26764	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1095437"	419.03524	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"151887"	381.079358	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"589260"	552.137458	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1079970"	210.021258	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1111357"	421.049792	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1344096"	421.137407	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1006792"	425.176576	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1530385"	426.170208	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"995746"	213.091926	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1596810"	427.084828	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1421379"	457.116338	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1150571"	233.605201	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1702314"	474.142885	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1636871"	479.09828	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1575803"	495.07222	"C19632"	"Kojibiose;2-O-alpha-D-Glucopyranosyl-D-glucose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"803983"	342.1162	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M"	0
"979704"	323.09781	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"69041"	227.070190666667	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"511880"	341.108924	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"891868"	113.031457333333	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"10445"	341.108924	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"447817"	512.167024	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"820516"	170.050824	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"89990"	683.225124	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"529192"	1025.341324	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"904077"	341.108924	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"54079"	700.251671	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"489263"	1042.367871	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"866701"	358.135471	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"34602"	705.207066	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"474163"	1047.323266	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"851964"	363.090866	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1621496"	363.090866	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"98390"	359.097263	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"537220"	530.155363	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"932558"	188.039163	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"273302"	719.201802	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"663534"	1061.318002	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1276301"	377.085602	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"25059"	721.181006	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"458055"	1063.297206	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"842424"	379.064806	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1561538"	379.064806	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"946140"	387.114394	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"363269"	729.230601	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"348246"	743.246251	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1494161"	401.130051	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"964618"	409.096351	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"112069"	377.085602	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"554185"	548.143702	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1021806"	206.027502	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1241329"	421.035085	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1307198"	423.091072	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1322881"	445.073029	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"916490"	455.101786	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1292103"	491.078464	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1368807"	307.103524	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383749"	325.1135	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"285260"	685.239676	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"676345"	1027.355876	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1354396"	343.123476	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"127284"	343.123476	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"568301"	514.181576	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1039288"	172.065376	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"204831"	229.084742666667	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"646381"	343.123476	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1165603"	115.046009333333	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"425716"	702.266223	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"788412"	1044.382423	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1684013"	360.150023	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"334485"	351.6367495	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"726910"	522.6948495	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1478666"	180.5786495	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"396129"	707.221618	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"759312"	1049.337818	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1605223"	365.105418	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"316353"	354.114447	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"713147"	525.172547	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1463689"	183.056347	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1059123"	122.373323333333	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1265174"	375.149686	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"382654"	723.195558	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"746931"	1065.311758	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1548984"	381.079358	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"310538"	362.101417	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"702231"	533.159517	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1457506"	191.043317	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"245746"	726.266226	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1219182"	384.150026	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1203064"	192.578651	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"198122"	729.20356	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"632577"	1071.31976	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1134631"	387.08736	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"186679"	365.105418	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"624782"	536.163518	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1128289"	194.047318	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1409260"	129.700637333333	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1438461"	389.128946	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"225238"	370.13844	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1518404"	403.18099	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"418816"	373.092388	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"777261"	544.150488	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1673591"	202.034288	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"263030"	748.248168	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1236103"	406.131968	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1724625"	406.155493	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1192169"	137.027951333333	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1660241"	411.110888	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"165643"	761.15144	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"611034"	1103.26764	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1094452"	419.03524	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"150904"	381.079358	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"591923"	552.137458	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1079715"	210.021258	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1111833"	421.049792	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1343841"	421.137407	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1007023"	425.176576	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1531588"	426.170208	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"993669"	213.091926	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1590358"	427.084828	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1421487"	457.116338	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1153963"	233.605201	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1701330"	474.142885	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1636980"	479.09828	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1571900"	495.07222	"C19633"	"Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"803364"	342.1162	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M"	0
"979814"	323.09781	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"69151"	227.070190666667	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"514176"	341.108924	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"893436"	113.031457333333	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"11284"	341.108924	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"450113"	512.167024	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"820262"	170.050824	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"93381"	683.225124	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"530762"	1025.341324	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"908561"	341.108924	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"56376"	700.251671	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"488645"	1042.367871	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"868633"	358.135471	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"36899"	705.207066	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"473544"	1047.323266	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"850616"	363.090866	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1620149"	363.090866	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"98501"	359.097263	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"536599"	530.155363	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"932668"	188.039163	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"276692"	719.201802	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"662916"	1061.318002	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1276413"	377.085602	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"19702"	721.181006	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"459260"	1063.297206	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"842533"	379.064806	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1563836"	379.064806	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"945156"	387.114394	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"364470"	729.230601	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"347993"	743.246251	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1495001"	401.130051	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"959992"	409.096351	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"111814"	377.085602	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"553199"	548.143702	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1022364"	206.027502	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1241739"	421.035085	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1305364"	423.091072	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1320431"	445.073029	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"916963"	455.101786	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1294765"	491.078464	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1368188"	307.103524	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383856"	325.1135	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"286096"	685.239676	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"676369"	1027.355876	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1356691"	343.123476	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"131768"	343.123476	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"569504"	514.181576	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1040122"	172.065376	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"205837"	229.084742666667	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"645761"	343.123476	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1165708"	115.046009333333	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"427163"	702.266223	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"787793"	1044.382423	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1684849"	360.150023	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"333502"	351.6367495	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"728114"	522.6948495	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1480113"	180.5786495	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"397335"	707.221618	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"762704"	1049.337818	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1606427"	365.105418	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"317556"	354.114447	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"714350"	525.172547	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1465988"	183.056347	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1057047"	122.373323333333	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1262003"	375.149686	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"384952"	723.195558	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"750321"	1065.311758	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1550187"	381.079358	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"312469"	362.101417	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"705255"	533.159517	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1459074"	191.043317	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"249500"	726.266226	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1223301"	384.150026	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1206453"	192.578651	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"201512"	729.20356	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"632324"	1071.31976	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1136927"	387.08736	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"186665"	365.105418	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"624161"	536.163518	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1127665"	194.047318	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1411920"	129.700637333333	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1440392"	389.128946	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"228994"	370.13844	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1518511"	403.18099	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"413094"	373.092388	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"775549"	544.150488	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1674067"	202.034288	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"262406"	748.248168	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1235847"	406.131968	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1722914"	406.155493	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1190092"	137.027951333333	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1658891"	411.110888	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"166118"	761.15144	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"610051"	1103.26764	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1092374"	419.03524	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"150285"	381.079358	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"592398"	552.137458	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1080191"	210.021258	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1111943"	421.049792	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1341763"	421.137407	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1008471"	425.176576	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1531699"	426.170208	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"994873"	213.091926	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1589375"	427.084828	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1419411"	457.116338	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1150794"	233.605201	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1701440"	474.142885	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1634904"	479.09828	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1571441"	495.07222	"C19634"	"Melibiulose;6-O-alpha-D-Galactopyranosyl-D-fructose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"803110"	326.1213	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M"	0
"976644"	307.10291	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-H2O-H"	-19.01839
"65981"	216.406924	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M-3H"	-3.021828
"513194"	325.114024	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M-3H"	-3.021828
"881155"	107.699824	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-3H"	-3.021828
"3011"	325.114024	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M-2H"	-2.014552
"441475"	488.174674	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M-2H"	-2.014552
"818549"	162.053374	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-2H"	-2.014552
"92397"	651.235324	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M-H"	-1.007276
"532695"	977.356624	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M-H"	-1.007276
"906486"	325.114024	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-H"	-1.007276
"54300"	668.261871	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M-2H+NH4"	16.019271
"489483"	994.383171	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M-2H+NH4"	16.019271
"869109"	342.140571	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-2H+NH4"	16.019271
"34094"	673.217266	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M-2H+Na"	20.974666
"475477"	999.338566	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M-2H+Na"	20.974666
"854009"	347.095966	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-2H+Na"	20.974666
"1620624"	347.095966	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Na-2H"	20.974666
"95448"	343.102363	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M-H+Cl"	33.962126
"537079"	506.163013	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M-H+Cl"	33.962126
"933873"	180.041713	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-H+Cl"	33.962126
"271336"	687.212002	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+Cl"	34.969402
"664850"	1013.333302	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+Cl"	34.969402
"1281628"	361.090702	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Cl"	34.969402
"19812"	689.191206	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M-2H+K"	36.948606
"458641"	1015.312506	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M-2H+K"	36.948606
"841550"	363.069906	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-2H+K"	36.948606
"1563946"	363.069906	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+K-2H"	36.948606
"945266"	371.119494	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-H+HCOOH"	44.998194
"363487"	697.240801	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+HCOOH-H"	44.998201
"348467"	711.256451	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+Hac-H"	59.013851
"1495111"	385.135151	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Hac-H"	59.013851
"961559"	393.101451	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-H+NaCOOH"	66.980151
"112288"	361.090702	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+2Cl"	69.938804
"555496"	524.151352	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+2Cl"	69.938804
"1023204"	198.030052	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2Cl"	69.938804
"1242416"	405.040185	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Br"	78.918885
"1305592"	407.096172	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Cl+HCOOH"	80.974872
"1320173"	429.078129	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Cl+NaCOOH"	102.956829
"917073"	439.106886	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M-H+CF3COOH"	112.985586
"1290864"	475.083564	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Cl+CF3COOH"	148.962264
"1367443"	291.108624	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H-2H2O"	-35.012676
"1383727"	309.1186	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H-H2O"	-17.0027
"283045"	653.249876	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+H"	1.007276
"676806"	979.371176	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+H"	1.007276
"1354612"	327.128576	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H"	1.007276
"128596"	327.128576	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+2H"	2.014552
"567060"	490.189226	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+2H"	2.014552
"1038043"	164.067926	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2H"	2.014552
"204610"	218.421476	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+3H"	3.021828
"644898"	327.128576	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+3H"	3.021828
"1163996"	109.714376	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+3H"	3.021828
"425084"	670.276423	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+NH4"	18.033823
"786079"	996.397723	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+NH4"	18.033823
"1681324"	344.155123	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+NH4"	18.033823
"333976"	335.6418495	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+H+NH4"	19.041099
"727132"	498.7024995	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+H+NH4"	19.041099
"1478398"	172.5811995	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H+NH4"	19.041099
"393793"	675.231818	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+Na"	22.989218
"755275"	1001.353118	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+Na"	22.989218
"1603617"	349.110518	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Na"	22.989218
"316936"	338.119547	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+H+Na"	23.996494
"707776"	501.180197	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+H+Na"	23.996494
"1466096"	175.058897	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H+Na"	23.996494
"1055694"	117.04169	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2H+Na"	25.00377
"1262477"	359.154786	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+CH3OH+H"	33.033486
"379958"	691.205758	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+K"	38.963158
"746057"	1017.327058	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+K"	38.963158
"1549202"	365.084458	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+K"	38.963158
"308566"	346.106517	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+H+K"	39.970434
"705364"	509.167167	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+H+K"	39.970434
"1460277"	183.045867	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H+K"	39.970434
"250217"	694.276426	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+ACN+H"	42.033826
"1215028"	368.155126	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+ACN+H"	42.033826
"1205473"	184.581201	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+ACN+2H"	43.041102
"201623"	697.21376	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+2Na-H"	44.97116
"633528"	1023.33506	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+2Na-H"	44.97116
"1134850"	371.09246	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2Na-H"	44.97116
"182519"	349.110518	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+2Na"	45.978436
"626091"	512.171168	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+2Na"	45.978436
"1126681"	186.049868	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2Na"	45.978436
"1409110"	124.369004	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H+2Na"	46.985712
"1440865"	373.134046	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H+HCOOH"	47.012746
"226552"	354.14354	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+3H2O+2H"	56.04448
"1519353"	387.18609	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+IsoProp+H"	61.06479
"410290"	357.097488	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+Na+K"	61.952376
"772379"	520.158138	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+Na+K"	61.952376
"1673813"	194.036838	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Na+K"	61.952376
"259237"	716.258368	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+ACN+Na"	64.015768
"1231948"	390.137068	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+ACN+Na"	64.015768
"1725210"	390.160593	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+NH4+HCOOH"	64.039293
"1191658"	131.696318	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+3Na"	68.967654
"1662645"	395.115988	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Na+HCOOH"	68.994688
"168414"	729.16164	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+2K-H"	76.91904
"609068"	1055.28294	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+2K-H"	76.91904
"1094671"	403.04034	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2K-H"	76.91904
"151489"	365.084458	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"2M+2K"	77.926316
"592141"	528.145108	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"3M+2K"	77.926316
"1082124"	202.023808	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2K"	77.926316
"1113878"	405.054892	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2K+H"	78.933592
"1348435"	405.142507	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+DMSO+H"	79.021207
"1009311"	409.181676	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2ACN+H"	83.060376
"1528528"	410.175308	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+IsoProp+Na+H"	84.054008
"993891"	205.094476	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+2ACN+2H"	84.067652
"1590580"	411.089928	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+K+HCOOH"	84.968628
"1415514"	441.121438	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+H+CF3COOH"	115.000138
"1155281"	225.607751	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+3ACN+2H"	125.094202
"1701551"	458.147985	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+NH4+CF3COOH"	132.026685
"1634175"	463.10338	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+Na+CF3COOH"	136.98208
"1576133"	479.07732	"C19635"	"Scillabiose;6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose"	"C12H22O10"	"326.1213"	"M+K+CF3COOH"	152.95602
"813061"	342.1162	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M"	0
"980034"	323.09781	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"69371"	227.070190666667	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"515491"	341.108924	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"885639"	113.031457333333	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"2027"	341.108924	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"442677"	512.167024	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"821575"	170.050824	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"89227"	683.225124	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"530978"	1025.341324	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"906592"	341.108924	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"55504"	700.251671	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"493971"	1042.367871	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"867033"	358.135471	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"33109"	705.207066	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"473762"	1047.323266	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"853390"	363.090866	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1620003"	363.090866	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"95075"	359.097263	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"538283"	530.155363	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"930702"	188.039163	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"275820"	719.201802	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"664959"	1061.318002	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1281738"	377.085602	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"22109"	721.181006	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"462763"	1063.297206	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"844576"	379.064806	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1564056"	379.064806	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"946469"	387.114394	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"365785"	729.230601	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"350761"	743.246251	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1501782"	401.130051	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"963856"	409.096351	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"111671"	377.085602	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"556700"	548.143702	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1025501"	206.027502	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1241468"	421.035085	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1304483"	423.091072	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1319958"	445.073029	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"913170"	455.101786	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1293159"	491.078464	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1367312"	307.103524	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1384080"	325.1135	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"284494"	685.239676	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"676306"	1027.355876	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1351438"	343.123476	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"127974"	343.123476	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"566075"	514.181576	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1038154"	172.065376	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"205326"	229.084742666667	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"645489"	343.123476	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1163738"	115.046009333333	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"425561"	702.266223	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"786188"	1044.382423	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1681789"	360.150023	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"331896"	351.6367495	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"723593"	522.6948495	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1479967"	180.5786495	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"394634"	707.221618	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"755750"	1049.337818	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1603240"	365.105418	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"314855"	354.114447	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"707118"	525.172547	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1465113"	183.056347	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1058357"	122.373323333333	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1259305"	375.149686	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"380069"	723.195558	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"746167"	1065.311758	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1548220"	381.079358	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"309770"	362.101417	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"705351"	533.159517	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1459659"	191.043317	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"248868"	726.266226	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1216232"	384.150026	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1202301"	192.578651	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"199546"	729.20356	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"635825"	1071.31976	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1136053"	387.08736	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"182629"	365.105418	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"624744"	536.163518	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1123511"	194.047318	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1408856"	129.700637333333	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1439153"	389.128946	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"223382"	370.13844	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1518370"	403.18099	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"409671"	373.092388	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"771760"	544.150488	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1669547"	202.034288	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"258257"	748.248168	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1230235"	406.131968	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1726412"	406.155493	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1189214"	137.027951333333	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1660567"	411.110888	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"168525"	761.15144	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"609178"	1103.26764	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1098067"	419.03524	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"151235"	381.079358	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"591160"	552.137458	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1081869"	210.021258	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1113623"	421.049792	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1344171"	421.137407	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1008328"	425.176576	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1528638"	426.170208	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"992908"	213.091926	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1588139"	427.084828	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1416353"	457.116338	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1156484"	233.605201	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1710045"	474.142885	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1641686"	479.09828	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1576243"	495.07222	"C19636"	"Turanose;3-O-alpha-D-Glucopyranosyl-D-fructose;D-Turanose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"812078"	281.936	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M"	0
"985612"	262.91761	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-H2O-H"	-19.01839
"69481"	186.950057333333	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M-3H"	-3.021828
"512321"	280.928724	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M-3H"	-3.021828
"883562"	92.9713906666667	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-3H"	-3.021828
"4323"	280.928724	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M-2H"	-2.014552
"441695"	421.896724	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M-2H"	-2.014552
"819861"	139.960724	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-2H"	-2.014552
"83866"	562.864724	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M-H"	-1.007276
"529995"	844.800724	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M-H"	-1.007276
"905610"	280.928724	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-H"	-1.007276
"53427"	579.891271	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M-2H+NH4"	16.019271
"494081"	861.827271	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M-2H+NH4"	16.019271
"866047"	297.955271	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-2H+NH4"	16.019271
"34314"	584.846666	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M-2H+Na"	20.974666
"472776"	866.782666	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M-2H+Na"	20.974666
"852042"	302.910666	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-2H+Na"	20.974666
"1619748"	302.910666	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Na-2H"	20.974666
"95915"	298.917063	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M-H+Cl"	33.962126
"538393"	439.885063	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M-H+Cl"	33.962126
"929720"	157.949063	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-H+Cl"	33.962126
"271557"	598.841402	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+Cl"	34.969402
"662155"	880.777402	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+Cl"	34.969402
"1280755"	316.905402	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Cl"	34.969402
"17845"	600.820606	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M-2H+K"	36.948606
"459593"	882.756606	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M-2H+K"	36.948606
"843957"	318.884606	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-2H+K"	36.948606
"1563073"	318.884606	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+K-2H"	36.948606
"944393"	326.934194	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-H+HCOOH"	44.998194
"366989"	608.870201	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+HCOOH-H"	44.998201
"353060"	622.885851	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+Hac-H"	59.013851
"1501892"	340.949851	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Hac-H"	59.013851
"963966"	348.916151	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-H+NaCOOH"	66.980151
"113968"	316.905402	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+2Cl"	69.938804
"556810"	457.873402	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+2Cl"	69.938804
"1024519"	175.937402	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2Cl"	69.938804
"1241335"	360.854885	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Br"	78.918885
"1304240"	362.910872	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Cl+HCOOH"	80.974872
"1319984"	384.892829	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Cl+NaCOOH"	102.956829
"914009"	394.921586	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M-H+CF3COOH"	112.985586
"1292541"	430.898264	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Cl+CF3COOH"	148.962264
"1368880"	246.923324	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H-2H2O"	-35.012676
"1384556"	264.9333	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H-H2O"	-17.0027
"283511"	564.879276	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+H"	1.007276
"676090"	846.815276	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+H"	1.007276
"1351953"	282.943276	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H"	1.007276
"128085"	282.943276	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+2H"	2.014552
"567280"	423.911276	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+2H"	2.014552
"1038629"	141.975276	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2H"	2.014552
"205070"	188.964609333333	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+3H"	3.021828
"645480"	282.943276	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+3H"	3.021828
"1164216"	94.9859426666667	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+3H"	3.021828
"426395"	581.905823	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+NH4"	18.033823
"787028"	863.841823	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+NH4"	18.033823
"1682264"	299.969823	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+NH4"	18.033823
"331641"	291.4565495	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+H+NH4"	19.041099
"723134"	432.4245495	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+H+NH4"	19.041099
"1478983"	150.4885495	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H+NH4"	19.041099
"393893"	586.861218	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+Na"	22.989218
"754556"	868.797218	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+Na"	22.989218
"1602859"	304.925218	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Na"	22.989218
"314595"	293.934247	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+H+Na"	23.996494
"707300"	434.902247	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+H+Na"	23.996494
"1461444"	152.966247	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H+Na"	23.996494
"1054823"	102.313256666667	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2H+Na"	25.00377
"1257225"	314.969486	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+CH3OH+H"	33.033486
"379449"	602.835158	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+K"	38.963158
"742998"	884.771158	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+K"	38.963158
"1548330"	320.899158	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+K"	38.963158
"308787"	301.921217	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+H+K"	39.970434
"703395"	442.889217	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+H+K"	39.970434
"1457946"	160.953217	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H+K"	39.970434
"248005"	605.905826	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+ACN+H"	42.033826
"1211967"	323.969826	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+ACN+H"	42.033826
"1202411"	162.488551	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+ACN+2H"	43.041102
"201843"	608.84316	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+2Na-H"	44.97116
"633750"	890.77916	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+2Na-H"	44.97116
"1133248"	326.90716	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2Na-H"	44.97116
"182739"	304.925218	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+2Na"	45.978436
"620114"	445.893218	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+2Na"	45.978436
"1126538"	163.957218	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2Na"	45.978436
"1410790"	109.640570666667	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H+2Na"	46.985712
"1439263"	328.948746	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H+HCOOH"	47.012746
"223492"	309.95824	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+3H2O+2H"	56.04448
"1515928"	343.00079	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+IsoProp+H"	61.06479
"419622"	312.912188	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+Na+K"	61.952376
"776610"	453.880188	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+Na+K"	61.952376
"1668199"	171.944188	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Na+K"	61.952376
"258367"	627.887768	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+ACN+Na"	64.015768
"1228888"	345.951768	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+ACN+Na"	64.015768
"1719960"	345.975293	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+NH4+HCOOH"	64.039293
"1188596"	116.967884666667	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+3Na"	68.967654
"1659587"	350.930688	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Na+HCOOH"	68.994688
"168635"	640.79104	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+2K-H"	76.91904
"609288"	922.72704	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+2K-H"	76.91904
"1096718"	358.85504	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2K-H"	76.91904
"151710"	320.899158	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"2M+2K"	77.926316
"592365"	461.867158	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"3M+2K"	77.926316
"1080158"	179.931158	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2K"	77.926316
"1115070"	360.869592	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2K+H"	78.933592
"1346471"	360.957207	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+DMSO+H"	79.021207
"1007708"	364.996376	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2ACN+H"	83.060376
"1526561"	365.990008	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+IsoProp+Na+H"	84.054008
"994475"	183.001826	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+2ACN+2H"	84.067652
"1590803"	366.904628	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+K+HCOOH"	84.968628
"1417556"	396.936138	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+H+CF3COOH"	115.000138
"1156594"	203.515101	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+3ACN+2H"	125.094202
"1703958"	413.962685	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+NH4+CF3COOH"	132.026685
"1641796"	418.91808	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+Na+CF3COOH"	136.98208
"1576353"	434.89202	"C19637"	"Coenzyme M disulfide;(S-CoM)2;Coenzyme M;22-Dithiodiethanesulfonic acid"	"C4H10O6S4"	"281.936"	"M+K+CF3COOH"	152.95602
"811098"	232.2191	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M"	0
"982442"	213.20071	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-H2O-H"	-19.01839
"69592"	153.805457333333	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M-3H"	-3.021828
"503805"	231.211824	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M-3H"	-3.021828
"880634"	76.3990906666667	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-3H"	-3.021828
"542"	231.211824	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M-2H"	-2.014552
"443989"	347.321374	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M-2H"	-2.014552
"819242"	115.102274	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-2H"	-2.014552
"81789"	463.430924	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M-H"	-1.007276
"530837"	695.650024	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M-H"	-1.007276
"905720"	231.211824	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-H"	-1.007276
"53537"	480.457471	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M-2H+NH4"	16.019271
"489451"	712.676571	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M-2H+NH4"	16.019271
"866278"	248.238371	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-2H+NH4"	16.019271
"32964"	485.412866	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M-2H+Na"	20.974666
"477268"	717.631966	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M-2H+Na"	20.974666
"851788"	253.193766	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-2H+Na"	20.974666
"1619862"	253.193766	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Na-2H"	20.974666
"94805"	249.200163	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M-H+Cl"	33.962126
"538503"	365.309713	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M-H+Cl"	33.962126
"930924"	133.090613	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-H+Cl"	33.962126
"270574"	499.407602	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+Cl"	34.969402
"665183"	731.626702	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+Cl"	34.969402
"1279773"	267.188502	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Cl"	34.969402
"24516"	501.386806	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M-2H+K"	36.948606
"465174"	733.605906	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M-2H+K"	36.948606
"846256"	269.167706	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-2H+K"	36.948606
"1563183"	269.167706	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+K-2H"	36.948606
"951065"	277.217294	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-H+HCOOH"	44.998194
"367099"	509.436401	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+HCOOH-H"	44.998201
"352077"	523.452051	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+Hac-H"	59.013851
"1502002"	291.232951	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Hac-H"	59.013851
"964076"	299.199251	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-H+NaCOOH"	66.980151
"113349"	267.188502	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+2Cl"	69.938804
"555826"	383.298052	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+2Cl"	69.938804
"1024629"	151.078952	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2Cl"	69.938804
"1242627"	311.137985	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Br"	78.918885
"1304952"	313.193972	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Cl+HCOOH"	80.974872
"1321236"	335.175929	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Cl+NaCOOH"	102.956829
"919590"	345.204686	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M-H+CF3COOH"	112.985586
"1291195"	381.181364	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Cl+CF3COOH"	148.962264
"1370085"	197.206424	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H-2H2O"	-35.012676
"1386487"	215.2164	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H-H2O"	-17.0027
"286177"	465.445476	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+H"	1.007276
"675959"	697.664576	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+H"	1.007276
"1352269"	233.226376	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H"	1.007276
"128930"	233.226376	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+2H"	2.014552
"568491"	349.335926	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+2H"	2.014552
"1038137"	117.116826	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2H"	2.014552
"205550"	155.820009333333	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+3H"	3.021828
"646202"	233.226376	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+3H"	3.021828
"1166881"	78.4136426666667	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+3H"	3.021828
"427235"	482.472023	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+NH4"	18.033823
"788232"	714.691123	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+NH4"	18.033823
"1682011"	250.252923	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+NH4"	18.033823
"332118"	241.7396495	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+H+NH4"	19.041099
"723934"	357.8491995	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+H+NH4"	19.041099
"1481283"	125.6300995	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H+NH4"	19.041099
"393760"	487.427418	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+Na"	22.989218
"754593"	719.646518	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+Na"	22.989218
"1603215"	255.208318	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Na"	22.989218
"314955"	244.217347	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+H+Na"	23.996494
"707411"	360.326897	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+H+Na"	23.996494
"1461839"	128.107797	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H+Na"	23.996494
"1052939"	85.7409566666667	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2H+Na"	25.00377
"1260256"	265.252586	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+CH3OH+H"	33.033486
"383206"	503.401358	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+K"	38.963158
"743110"	735.620458	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+K"	38.963158
"1550628"	271.182258	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+K"	38.963158
"308897"	252.204317	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+H+K"	39.970434
"702412"	368.313867	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+H+K"	39.970434
"1458785"	136.094767	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H+K"	39.970434
"249208"	506.472026	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+ACN+H"	42.033826
"1216453"	274.252926	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+ACN+H"	42.033826
"1202523"	137.630101	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+ACN+2H"	43.041102
"200861"	509.40936	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+2Na-H"	44.97116
"633134"	741.62846	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+2Na-H"	44.97116
"1141747"	277.19026	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2Na-H"	44.97116
"183944"	255.208318	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+2Na"	45.978436
"621318"	371.317868	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+2Na"	45.978436
"1128835"	139.098768	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2Na"	45.978436
"1408348"	93.0682706666667	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H+2Na"	46.985712
"1441562"	279.231846	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H+HCOOH"	47.012746
"230892"	260.24134	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+3H2O+2H"	56.04448
"1521141"	293.28389	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+IsoProp+H"	61.06479
"420096"	263.195288	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+Na+K"	61.952376
"777814"	379.304838	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+Na+K"	61.952376
"1671959"	147.085738	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Na+K"	61.952376
"256294"	528.453968	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+ACN+Na"	64.015768
"1229000"	296.234868	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+ACN+Na"	64.015768
"1717888"	296.258393	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+NH4+HCOOH"	64.039293
"1184334"	100.395584666667	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+3Na"	68.967654
"1654226"	301.213788	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Na+HCOOH"	68.994688
"167648"	541.35724	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+2K-H"	76.91904
"602837"	773.57634	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+2K-H"	76.91904
"1096099"	309.13814	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2K-H"	76.91904
"149633"	271.182258	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"2M+2K"	77.926316
"590287"	387.291808	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"3M+2K"	77.926316
"1080269"	155.072708	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2K"	77.926316
"1108010"	311.152692	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2K+H"	78.933592
"1336614"	311.240307	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+DMSO+H"	79.021207
"1011828"	315.279476	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2ACN+H"	83.060376
"1532141"	316.273108	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+IsoProp+Na+H"	84.054008
"990363"	158.143376	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+2ACN+2H"	84.067652
"1599661"	317.187728	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+K+HCOOH"	84.968628
"1420948"	347.219238	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+H+CF3COOH"	115.000138
"1161444"	178.656651	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+3ACN+2H"	125.094202
"1704068"	364.245785	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+NH4+CF3COOH"	132.026685
"1635345"	369.20118	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+Na+CF3COOH"	136.98208
"1573183"	385.17512	"C19638"	"5alpha-Gonane"	"C17H28"	"232.2191"	"M+K+CF3COOH"	152.95602
"806830"	232.2191	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M"	0
"982552"	213.20071	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-H2O-H"	-19.01839
"69702"	153.805457333333	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M-3H"	-3.021828
"503793"	231.211824	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M-3H"	-3.021828
"881595"	76.3990906666667	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-3H"	-3.021828
"899"	231.211824	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M-2H"	-2.014552
"442278"	347.321374	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M-2H"	-2.014552
"819717"	115.102274	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-2H"	-2.014552
"80441"	463.430924	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M-H"	-1.007276
"530218"	695.650024	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M-H"	-1.007276
"906924"	231.211824	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-H"	-1.007276
"53646"	480.457471	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M-2H+NH4"	16.019271
"490652"	712.676571	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M-2H+NH4"	16.019271
"866993"	248.238371	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-2H+NH4"	16.019271
"33192"	485.412866	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M-2H+Na"	20.974666
"474090"	717.631966	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M-2H+Na"	20.974666
"850798"	253.193766	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-2H+Na"	20.974666
"1619729"	253.193766	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Na-2H"	20.974666
"95771"	249.200163	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M-H+Cl"	33.962126
"544082"	365.309713	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M-H+Cl"	33.962126
"932128"	133.090613	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-H+Cl"	33.962126
"271048"	499.407602	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+Cl"	34.969402
"668574"	731.626702	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+Cl"	34.969402
"1284257"	267.188502	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Cl"	34.969402
"23534"	501.386806	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M-2H+K"	36.948606
"462003"	733.605906	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M-2H+K"	36.948606
"843086"	269.167706	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-2H+K"	36.948606
"1563294"	269.167706	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+K-2H"	36.948606
"956643"	277.217294	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-H+HCOOH"	44.998194
"369395"	509.436401	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+HCOOH-H"	44.998201
"353280"	523.452051	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+Hac-H"	59.013851
"1501018"	291.232951	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Hac-H"	59.013851
"965280"	299.199251	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-H+NaCOOH"	66.980151
"115281"	267.188502	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+2Cl"	69.938804
"559216"	383.298052	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+2Cl"	69.938804
"1026926"	151.078952	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2Cl"	69.938804
"1243588"	311.137985	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Br"	78.918885
"1305671"	313.193972	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Cl+HCOOH"	80.974872
"1322439"	335.175929	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Cl+NaCOOH"	102.956829
"916417"	345.204686	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M-H+CF3COOH"	112.985586
"1293490"	381.181364	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Cl+CF3COOH"	148.962264
"1370195"	197.206424	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H-2H2O"	-35.012676
"1385137"	215.2164	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H-H2O"	-17.0027
"285922"	465.445476	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+H"	1.007276
"677975"	697.664576	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+H"	1.007276
"1353960"	233.226376	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H"	1.007276
"129404"	233.226376	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+2H"	2.014552
"568964"	349.335926	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+2H"	2.014552
"1037520"	117.116826	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2H"	2.014552
"206026"	155.820009333333	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+3H"	3.021828
"646677"	233.226376	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+3H"	3.021828
"1166263"	78.4136426666667	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+3H"	3.021828
"429531"	482.472023	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+NH4"	18.033823
"788707"	714.691123	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+NH4"	18.033823
"1683580"	250.252923	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+NH4"	18.033823
"331496"	241.7396495	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+H+NH4"	19.041099
"723186"	357.8491995	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+H+NH4"	19.041099
"1480295"	125.6300995	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H+NH4"	19.041099
"397152"	487.427418	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+Na"	22.989218
"754863"	719.646518	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+Na"	22.989218
"1603200"	255.208318	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Na"	22.989218
"314694"	244.217347	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+H+Na"	23.996494
"707210"	360.326897	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+H+Na"	23.996494
"1461544"	128.107797	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H+Na"	23.996494
"1054309"	85.7409566666667	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2H+Na"	25.00377
"1257320"	265.252586	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+CH3OH+H"	33.033486
"377242"	503.401358	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+K"	38.963158
"739245"	735.620458	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+K"	38.963158
"1544176"	271.182258	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+K"	38.963158
"304633"	252.204317	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+H+K"	39.970434
"702521"	368.313867	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+H+K"	39.970434
"1460960"	136.094767	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H+K"	39.970434
"242756"	506.472026	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+ACN+H"	42.033826
"1212916"	274.252926	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+ACN+H"	42.033826
"1200445"	137.630101	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+ACN+2H"	43.041102
"197690"	509.40936	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+2Na-H"	44.97116
"637254"	741.62846	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+2Na-H"	44.97116
"1140764"	277.19026	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2Na-H"	44.97116
"186241"	255.208318	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+2Na"	45.978436
"626168"	371.317868	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+2Na"	45.978436
"1128945"	139.098768	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2Na"	45.978436
"1409551"	93.0682706666667	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H+2Na"	46.985712
"1442764"	279.231846	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H+HCOOH"	47.012746
"231366"	260.24134	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+3H2O+2H"	56.04448
"1522102"	293.28389	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+IsoProp+H"	61.06479
"421665"	263.195288	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+Na+K"	61.952376
"774645"	379.304838	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+Na+K"	61.952376
"1673162"	147.085738	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Na+K"	61.952376
"255310"	528.453968	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+ACN+Na"	64.015768
"1230204"	296.234868	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+ACN+Na"	64.015768
"1719090"	296.258393	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+NH4+HCOOH"	64.039293
"1184444"	100.395584666667	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+3Na"	68.967654
"1657618"	301.213788	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Na+HCOOH"	68.994688
"168853"	541.35724	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+2K-H"	76.91904
"606227"	773.57634	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+2K-H"	76.91904
"1095115"	309.13814	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2K-H"	76.91904
"148649"	271.182258	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"2M+2K"	77.926316
"590396"	387.291808	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"3M+2K"	77.926316
"1079284"	155.072708	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2K"	77.926316
"1111398"	311.152692	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2K+H"	78.933592
"1336723"	311.240307	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+DMSO+H"	79.021207
"1011938"	315.279476	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2ACN+H"	83.060376
"1533345"	316.273108	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+IsoProp+Na+H"	84.054008
"990797"	158.143376	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+2ACN+2H"	84.067652
"1589927"	317.187728	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+K+HCOOH"	84.968628
"1421058"	347.219238	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+H+CF3COOH"	115.000138
"1156814"	178.656651	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+3ACN+2H"	125.094202
"1704178"	364.245785	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+NH4+CF3COOH"	132.026685
"1636548"	369.20118	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+Na+CF3COOH"	136.98208
"1573293"	385.17512	"C19639"	"Gonane;18-Norestrane"	"C17H28"	"232.2191"	"M+K+CF3COOH"	152.95602
"806940"	232.2191	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M"	0
"983755"	213.20071	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-H2O-H"	-19.01839
"69812"	153.805457333333	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M-3H"	-3.021828
"506091"	231.211824	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M-3H"	-3.021828
"882070"	76.3990906666667	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-3H"	-3.021828
"2832"	231.211824	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M-2H"	-2.014552
"443119"	347.321374	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M-2H"	-2.014552
"819460"	115.102274	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-2H"	-2.014552
"80551"	463.430924	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M-H"	-1.007276
"531422"	695.650024	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M-H"	-1.007276
"909220"	231.211824	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-H"	-1.007276
"57037"	480.457471	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M-2H+NH4"	16.019271
"489667"	712.676571	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M-2H+NH4"	16.019271
"868566"	248.238371	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-2H+NH4"	16.019271
"34276"	485.412866	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M-2H+Na"	20.974666
"472863"	717.631966	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M-2H+Na"	20.974666
"852002"	253.193766	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-2H+Na"	20.974666
"1621171"	253.193766	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Na-2H"	20.974666
"96247"	249.200163	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M-H+Cl"	33.962126
"544192"	365.309713	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M-H+Cl"	33.962126
"934425"	133.090613	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-H+Cl"	33.962126
"274438"	499.407602	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+Cl"	34.969402
"665404"	731.626702	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+Cl"	34.969402
"1281087"	267.188502	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Cl"	34.969402
"24737"	501.386806	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M-2H+K"	36.948606
"464300"	733.605906	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M-2H+K"	36.948606
"846476"	269.167706	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-2H+K"	36.948606
"1563404"	269.167706	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+K-2H"	36.948606
"954567"	277.217294	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-H+HCOOH"	44.998194
"372785"	509.436401	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+HCOOH-H"	44.998201
"354484"	523.452051	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+Hac-H"	59.013851
"1503315"	291.232951	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Hac-H"	59.013851
"964295"	299.199251	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-H+NaCOOH"	66.980151
"117578"	267.188502	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+2Cl"	69.938804
"559325"	383.298052	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+2Cl"	69.938804
"1030316"	151.078952	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2Cl"	69.938804
"1243333"	311.137985	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Br"	78.918885
"1305174"	313.193972	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Cl+HCOOH"	80.974872
"1325832"	335.175929	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Cl+NaCOOH"	102.956829
"916528"	345.204686	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M-H+CF3COOH"	112.985586
"1293236"	381.181364	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Cl+CF3COOH"	148.962264
"1370671"	197.206424	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H-2H2O"	-35.012676
"1385976"	215.2164	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H-H2O"	-17.0027
"286398"	465.445476	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+H"	1.007276
"677723"	697.664576	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+H"	1.007276
"1354072"	233.226376	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H"	1.007276
"128785"	233.226376	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+2H"	2.014552
"566522"	349.335926	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+2H"	2.014552
"1039696"	117.116826	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2H"	2.014552
"206505"	155.820009333333	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+3H"	3.021828
"646792"	233.226376	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+3H"	3.021828
"1166375"	78.4136426666667	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+3H"	3.021828
"427461"	482.472023	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+NH4"	18.033823
"790644"	714.691123	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+NH4"	18.033823
"1684058"	250.252923	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+NH4"	18.033823
"331974"	241.7396495	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+H+NH4"	19.041099
"724150"	357.8491995	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+H+NH4"	19.041099
"1481499"	125.6300995	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H+NH4"	19.041099
"394710"	487.427418	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+Na"	22.989218
"756069"	719.646518	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+Na"	22.989218
"1604166"	255.208318	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Na"	22.989218
"314603"	244.217347	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+H+Na"	23.996494
"707349"	360.326897	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+H+Na"	23.996494
"1461532"	128.107797	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H+Na"	23.996494
"1053205"	85.7409566666667	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2H+Na"	25.00377
"1257085"	265.252586	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+CH3OH+H"	33.033486
"377422"	503.401358	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+K"	38.963158
"738787"	735.620458	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+K"	38.963158
"1542098"	271.182258	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+K"	38.963158
"302556"	252.204317	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+H+K"	39.970434
"704453"	368.313867	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+H+K"	39.970434
"1459367"	136.094767	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H+K"	39.970434
"247240"	506.472026	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+ACN+H"	42.033826
"1214120"	274.252926	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+ACN+H"	42.033826
"1200555"	137.630101	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+ACN+2H"	43.041102
"195613"	509.40936	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+2Na-H"	44.97116
"637364"	741.62846	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+2Na-H"	44.97116
"1140874"	277.19026	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2Na-H"	44.97116
"186351"	255.208318	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+2Na"	45.978436
"625913"	371.317868	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+2Na"	45.978436
"1127962"	139.098768	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2Na"	45.978436
"1409661"	93.0682706666667	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H+2Na"	46.985712
"1444818"	279.231846	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H+HCOOH"	47.012746
"233663"	260.24134	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+3H2O+2H"	56.04448
"1520633"	293.28389	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+IsoProp+H"	61.06479
"421411"	263.195288	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+Na+K"	61.952376
"771110"	379.304838	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+Na+K"	61.952376
"1672180"	147.085738	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Na+K"	61.952376
"258701"	528.453968	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+ACN+Na"	64.015768
"1232501"	296.234868	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+ACN+Na"	64.015768
"1722480"	296.258393	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+NH4+HCOOH"	64.039293
"1186740"	100.395584666667	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+3Na"	68.967654
"1662102"	301.213788	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Na+HCOOH"	68.994688
"172245"	541.35724	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+2K-H"	76.91904
"606338"	773.57634	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+2K-H"	76.91904
"1098505"	309.13814	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2K-H"	76.91904
"152041"	271.182258	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"2M+2K"	77.926316
"596463"	387.291808	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"3M+2K"	77.926316
"1083530"	155.072708	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2K"	77.926316
"1114916"	311.152692	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2K+H"	78.933592
"1337561"	311.240307	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+DMSO+H"	79.021207
"1014235"	315.279476	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2ACN+H"	83.060376
"1537588"	316.273108	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+IsoProp+Na+H"	84.054008
"992610"	158.143376	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+2ACN+2H"	84.067652
"1591130"	317.187728	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+K+HCOOH"	84.968628
"1420075"	347.219238	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+H+CF3COOH"	115.000138
"1155831"	178.656651	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+3ACN+2H"	125.094202
"1702101"	364.245785	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+NH4+CF3COOH"	132.026685
"1634306"	369.20118	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+Na+CF3COOH"	136.98208
"1573403"	385.17512	"C19640"	"5beta-Gonane"	"C17H28"	"232.2191"	"M+K+CF3COOH"	152.95602
"810331"	246.2348	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M"	0
"987146"	227.21641	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-H2O-H"	-19.01839
"73203"	163.149257333333	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M-3H"	-3.021828
"506201"	245.227524	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M-3H"	-3.021828
"880438"	81.0709906666667	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-3H"	-3.021828
"1485"	245.227524	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M-2H"	-2.014552
"442136"	368.344924	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M-2H"	-2.014552
"818844"	122.110124	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-2H"	-2.014552
"80661"	491.462324	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M-H"	-1.007276
"530435"	737.697124	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M-H"	-1.007276
"910060"	245.227524	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-H"	-1.007276
"61887"	508.488871	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M-2H+NH4"	16.019271
"489782"	754.723671	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M-2H+NH4"	16.019271
"867217"	262.254071	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-2H+NH4"	16.019271
"33658"	513.444266	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M-2H+Na"	20.974666
"473216"	759.679066	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M-2H+Na"	20.974666
"851386"	267.209466	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-2H+Na"	20.974666
"1624932"	267.209466	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Na-2H"	20.974666
"101461"	263.215863	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M-H+Cl"	33.962126
"541021"	386.333263	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M-H+Cl"	33.962126
"936722"	140.098463	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-H+Cl"	33.962126
"278559"	527.439002	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+Cl"	34.969402
"667701"	773.673802	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+Cl"	34.969402
"1281197"	281.204202	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Cl"	34.969402
"24847"	529.418206	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M-2H+K"	36.948606
"462219"	775.653006	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M-2H+K"	36.948606
"846582"	283.183406	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-2H+K"	36.948606
"1563514"	283.183406	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+K-2H"	36.948606
"951397"	291.232994	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-H+HCOOH"	44.998194
"369613"	537.467801	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+HCOOH-H"	44.998201
"349489"	551.483451	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+Hac-H"	59.013851
"1496132"	305.248651	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Hac-H"	59.013851
"964040"	313.214951	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-H+NaCOOH"	66.980151
"115865"	281.204202	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+2Cl"	69.938804
"555063"	404.321602	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+2Cl"	69.938804
"1029332"	158.086802	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2Cl"	69.938804
"1247091"	325.153685	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Br"	78.918885
"1305286"	327.209672	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Cl+HCOOH"	80.974872
"1326306"	349.191629	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Cl+NaCOOH"	102.956829
"915909"	359.220386	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M-H+CF3COOH"	112.985586
"1291887"	395.197064	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Cl+CF3COOH"	148.962264
"1370782"	211.222124	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H-2H2O"	-35.012676
"1386091"	229.2321	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H-H2O"	-17.0027
"285412"	493.476876	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+H"	1.007276
"677832"	739.711676	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+H"	1.007276
"1353087"	247.242076	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H"	1.007276
"126579"	247.242076	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+2H"	2.014552
"566627"	370.359476	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+2H"	2.014552
"1037977"	124.124676	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2H"	2.014552
"207339"	165.163809333333	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+3H"	3.021828
"647991"	247.242076	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+3H"	3.021828
"1165390"	83.0855426666667	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+3H"	3.021828
"427203"	510.503423	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+NH4"	18.033823
"787835"	756.738223	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+NH4"	18.033823
"1681977"	264.268623	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+NH4"	18.033823
"330085"	255.7553495	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+H+NH4"	19.041099
"722888"	378.8727495	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+H+NH4"	19.041099
"1481973"	132.6379495	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H+NH4"	19.041099
"397014"	515.458818	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+Na"	22.989218
"759101"	761.693618	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+Na"	22.989218
"1604888"	269.224018	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Na"	22.989218
"316506"	258.233047	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+H+Na"	23.996494
"707829"	381.350447	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+H+Na"	23.996494
"1463110"	135.115647	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H+Na"	23.996494
"1053434"	90.4128566666667	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2H+Na"	25.00377
"1258401"	279.268286	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+CH3OH+H"	33.033486
"378188"	531.432758	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+K"	38.963158
"740521"	777.667558	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+K"	38.963158
"1545490"	285.197958	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+K"	38.963158
"302665"	266.220017	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+H+K"	39.970434
"701647"	389.337417	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+H+K"	39.970434
"1453281"	143.102617	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H+K"	39.970434
"245163"	534.503426	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+ACN+H"	42.033826
"1220061"	288.268626	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+ACN+H"	42.033826
"1201759"	144.637951	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+ACN+2H"	43.041102
"195723"	537.44076	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+2Na-H"	44.97116
"639664"	783.67556	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+2Na-H"	44.97116
"1138797"	291.20596	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2Na-H"	44.97116
"183181"	269.224018	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+2Na"	45.978436
"626023"	392.341418	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+2Na"	45.978436
"1127343"	146.106618	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2Na"	45.978436
"1413782"	97.7401706666667	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H+2Na"	46.985712
"1444076"	293.247546	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H+HCOOH"	47.012746
"233772"	274.25704	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+3H2O+2H"	56.04448
"1520743"	307.29959	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+IsoProp+H"	61.06479
"420429"	277.210988	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+Na+K"	61.952376
"775960"	400.328388	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+Na+K"	61.952376
"1669739"	154.093588	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Na+K"	61.952376
"258812"	556.485368	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+ACN+Na"	64.015768
"1232614"	310.250568	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+ACN+Na"	64.015768
"1720405"	310.274093	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+NH4+HCOOH"	64.039293
"1190135"	105.067484666667	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+3Na"	68.967654
"1662216"	315.229488	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Na+HCOOH"	68.994688
"170169"	569.38864	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+2K-H"	76.91904
"610824"	815.62344	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+2K-H"	76.91904
"1098616"	323.15384	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2K-H"	76.91904
"156042"	285.197958	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"2M+2K"	77.926316
"596984"	408.315358	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"3M+2K"	77.926316
"1082786"	162.080558	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2K"	77.926316
"1112714"	325.168392	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2K+H"	78.933592
"1338890"	325.256007	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+DMSO+H"	79.021207
"1012158"	329.295176	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2ACN+H"	83.060376
"1537820"	330.288808	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+IsoProp+Na+H"	84.054008
"991992"	165.151226	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+2ACN+2H"	84.067652
"1591607"	331.203428	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+K+HCOOH"	84.968628
"1422372"	361.234938	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+H+CF3COOH"	115.000138
"1153754"	185.664501	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+3ACN+2H"	125.094202
"1702211"	378.261485	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+NH4+CF3COOH"	132.026685
"1634944"	383.21688	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+Na+CF3COOH"	136.98208
"1573513"	399.19082	"C19641"	"Estrane;19-Norandrostane"	"C18H30"	"246.2348"	"M+K+CF3COOH"	152.95602
"812632"	360.3028	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M"	0
"987985"	341.28441	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-H2O-H"	-19.01839
"74407"	239.194590666667	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M-3H"	-3.021828
"504124"	359.295524	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M-3H"	-3.021828
"881927"	119.093657333333	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-3H"	-3.021828
"622"	359.295524	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M-2H"	-2.014552
"441153"	539.446924	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M-2H"	-2.014552
"818955"	179.144124	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-2H"	-2.014552
"81133"	719.598324	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M-H"	-1.007276
"531638"	1079.901124	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M-H"	-1.007276
"909564"	359.295524	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-H"	-1.007276
"61755"	736.624871	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M-2H+NH4"	16.019271
"490257"	1096.927671	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M-2H+NH4"	16.019271
"873525"	376.322071	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-2H+NH4"	16.019271
"32679"	741.580266	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M-2H+Na"	20.974666
"474791"	1101.883066	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M-2H+Na"	20.974666
"852229"	381.277466	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-2H+Na"	20.974666
"1625042"	381.277466	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Na-2H"	20.974666
"102665"	377.283863	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M-H+Cl"	33.962126
"534934"	557.435263	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M-H+Cl"	33.962126
"932458"	197.132463	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-H+Cl"	33.962126
"277574"	755.575002	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+Cl"	34.969402
"668904"	1115.877802	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+Cl"	34.969402
"1283495"	395.272202	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Cl"	34.969402
"28238"	757.554206	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M-2H+K"	36.948606
"467798"	1117.857006	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M-2H+K"	36.948606
"842319"	397.251406	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-2H+K"	36.948606
"1565813"	397.251406	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+K-2H"	36.948606
"951508"	405.300994	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-H+HCOOH"	44.998194
"370819"	765.603801	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+HCOOH-H"	44.998201
"352516"	779.619451	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+Hac-H"	59.013851
"1499159"	419.316651	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Hac-H"	59.013851
"965608"	427.282951	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-H+NaCOOH"	66.980151
"110152"	395.272202	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+2Cl"	69.938804
"554444"	575.423602	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+2Cl"	69.938804
"1030537"	215.120802	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2Cl"	69.938804
"1242458"	439.221685	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Br"	78.918885
"1308192"	441.277672	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Cl+HCOOH"	80.974872
"1331160"	463.259629	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Cl+NaCOOH"	102.956829
"915657"	473.288386	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M-H+CF3COOH"	112.985586
"1297833"	509.265064	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Cl+CF3COOH"	148.962264
"1370164"	325.290124	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H-2H2O"	-35.012676
"1387662"	343.3001	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H-H2O"	-17.0027
"284429"	721.612876	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+H"	1.007276
"678307"	1081.915676	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+H"	1.007276
"1354657"	361.310076	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H"	1.007276
"126450"	361.310076	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+2H"	2.014552
"567110"	541.461476	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+2H"	2.014552
"1038459"	181.158676	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2H"	2.014552
"204692"	241.209142666667	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+3H"	3.021828
"646286"	361.310076	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+3H"	3.021828
"1165502"	121.108209333333	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+3H"	3.021828
"428778"	738.639423	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+NH4"	18.033823
"786491"	1098.942223	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+NH4"	18.033823
"1681295"	378.336623	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+NH4"	18.033823
"330037"	369.8233495	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+H+NH4"	19.041099
"723635"	549.9747495	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+H+NH4"	19.041099
"1482813"	189.6719495	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H+NH4"	19.041099
"399312"	743.594818	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+Na"	22.989218
"758119"	1103.897618	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+Na"	22.989218
"1603420"	383.292018	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Na"	22.989218
"317347"	372.301047	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+H+Na"	23.996494
"709402"	552.452447	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+H+Na"	23.996494
"1466868"	192.149647	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H+Na"	23.996494
"1055008"	128.435523333333	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2H+Na"	25.00377
"1261792"	393.336286	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+CH3OH+H"	33.033486
"381459"	759.568758	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+K"	38.963158
"745734"	1119.871558	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+K"	38.963158
"1545600"	399.265958	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+K"	38.963158
"304962"	380.288017	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+H+K"	39.970434
"703579"	560.439417	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+H+K"	39.970434
"1454484"	200.136617	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H+K"	39.970434
"245273"	762.639426	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+ACN+H"	42.033826
"1220171"	402.336626	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+ACN+H"	42.033826
"1200046"	201.671951	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+ACN+2H"	43.041102
"194739"	765.57676	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+2Na-H"	44.97116
"639774"	1125.87956	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+2Na-H"	44.97116
"1144746"	405.27396	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2Na-H"	44.97116
"186576"	383.292018	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+2Na"	45.978436
"624676"	563.443418	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+2Na"	45.978436
"1128547"	203.140618	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2Na"	45.978436
"1412799"	135.762837333333	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H+2Na"	46.985712
"1443093"	407.315546	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H+HCOOH"	47.012746
"229507"	388.32504	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+3H2O+2H"	56.04448
"1518667"	421.36759	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+IsoProp+H"	61.06479
"421267"	391.278988	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+Na+K"	61.952376
"776070"	571.430388	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+Na+K"	61.952376
"1676778"	211.127588	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Na+K"	61.952376
"263297"	784.621368	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+ACN+Na"	64.015768
"1230538"	424.318568	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+ACN+Na"	64.015768
"1716140"	424.342093	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+NH4+HCOOH"	64.039293
"1183685"	143.090151333333	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+3Na"	68.967654
"1653579"	429.297488	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Na+HCOOH"	68.994688
"161894"	797.52464	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+2K-H"	76.91904
"604375"	1157.82744	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+2K-H"	76.91904
"1099460"	437.22184	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2K-H"	76.91904
"150074"	399.265958	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"2M+2K"	77.926316
"595956"	579.417358	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"3M+2K"	77.926316
"1078519"	219.114558	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2K"	77.926316
"1111731"	439.236392	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2K+H"	78.933592
"1339000"	439.324007	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+DMSO+H"	79.021207
"1008623"	443.363176	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2ACN+H"	83.060376
"1525655"	444.356808	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+IsoProp+Na+H"	84.054008
"992831"	222.185226	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+2ACN+2H"	84.067652
"1591345"	445.271428	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+K+HCOOH"	84.968628
"1416647"	475.302938	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+H+CF3COOH"	115.000138
"1153865"	242.698501	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+3ACN+2H"	125.094202
"1707790"	492.329485	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+NH4+CF3COOH"	132.026685
"1647451"	497.28488	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+Na+CF3COOH"	136.98208
"1583465"	513.25882	"C19642"	"5beta-Cholanic acid;Ursocholanic acid"	"C24H40O2"	"360.3028"	"M+K+CF3COOH"	152.95602
"810551"	384.2301	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M"	0
"986639"	365.21171	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-H2O-H"	-19.01839
"73423"	255.146124	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M-3H"	-3.021828
"504234"	383.222824	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M-3H"	-3.021828
"883129"	127.069424	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-3H"	-3.021828
"732"	383.222824	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M-2H"	-2.014552
"441263"	575.337874	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M-2H"	-2.014552
"817971"	191.107774	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-2H"	-2.014552
"81244"	767.452924	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M-H"	-1.007276
"532236"	1151.683024	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M-H"	-1.007276
"909189"	383.222824	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-H"	-1.007276
"58461"	784.479471	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M-2H+NH4"	16.019271
"489273"	1168.709571	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M-2H+NH4"	16.019271
"867075"	400.249371	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-2H+NH4"	16.019271
"33154"	789.434866	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M-2H+Na"	20.974666
"472709"	1173.664966	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M-2H+Na"	20.974666
"852338"	405.204766	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-2H+Na"	20.974666
"1625152"	405.204766	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Na-2H"	20.974666
"102775"	401.211163	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M-H+Cl"	33.962126
"537960"	593.326213	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M-H+Cl"	33.962126
"934755"	209.096113	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-H+Cl"	33.962126
"274404"	803.429602	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+Cl"	34.969402
"669014"	1187.659702	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+Cl"	34.969402
"1284698"	419.199502	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Cl"	34.969402
"21788"	805.408806	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M-2H+K"	36.948606
"463534"	1189.638906	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M-2H+K"	36.948606
"842429"	421.178706	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-2H+K"	36.948606
"1564830"	421.178706	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+K-2H"	36.948606
"949432"	429.228294	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-H+HCOOH"	44.998194
"365096"	813.458401	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+HCOOH-H"	44.998201
"351533"	827.474051	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+Hac-H"	59.013851
"1495988"	443.243951	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Hac-H"	59.013851
"962803"	451.210251	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-H+NaCOOH"	66.980151
"111098"	419.199502	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+2Cl"	69.938804
"555283"	611.314552	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+2Cl"	69.938804
"1028824"	227.084452	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2Cl"	69.938804
"1244029"	463.148985	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Br"	78.918885
"1313042"	465.204972	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Cl+HCOOH"	80.974872
"1331270"	487.186929	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Cl+NaCOOH"	102.956829
"921236"	497.215686	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M-H+CF3COOH"	112.985586
"1299039"	533.192364	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Cl+CF3COOH"	148.962264
"1369546"	349.217424	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H-2H2O"	-35.012676
"1387044"	367.2274	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H-H2O"	-17.0027
"284540"	769.467476	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+H"	1.007276
"678418"	1153.697576	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+H"	1.007276
"1353674"	385.237376	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H"	1.007276
"126927"	385.237376	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+2H"	2.014552
"567584"	577.352426	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+2H"	2.014552
"1038934"	193.122326	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2H"	2.014552
"205002"	257.160676	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+3H"	3.021828
"647853"	385.237376	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+3H"	3.021828
"1165612"	129.083976	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+3H"	3.021828
"428888"	786.494023	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+NH4"	18.033823
"786965"	1170.724123	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+NH4"	18.033823
"1681714"	402.263923	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+NH4"	18.033823
"330153"	393.7506495	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+H+NH4"	19.041099
"723747"	585.8656995	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+H+NH4"	19.041099
"1482923"	201.6355995	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H+NH4"	19.041099
"401608"	791.449418	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+Na"	22.989218
"759322"	1175.679518	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+Na"	22.989218
"1609607"	407.219318	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Na"	22.989218
"320739"	396.228347	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+H+Na"	23.996494
"710973"	588.343397	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+H+Na"	23.996494
"1463699"	204.113297	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H+Na"	23.996494
"1054028"	136.41129	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2H+Na"	25.00377
"1261903"	417.263586	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+CH3OH+H"	33.033486
"387037"	807.423358	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+K"	38.963158
"746938"	1191.653458	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+K"	38.963158
"1551178"	423.193258	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+K"	38.963158
"309083"	404.215317	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+H+K"	39.970434
"702233"	596.330367	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+H+K"	39.970434
"1457147"	212.100267	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H+K"	39.970434
"249759"	810.494026	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+ACN+H"	42.033826
"1221374"	426.263926	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+ACN+H"	42.033826
"1203073"	213.635601	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+ACN+2H"	43.041102
"197036"	813.43136	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+2Na-H"	44.97116
"638791"	1197.66146	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+2Na-H"	44.97116
"1142668"	429.20126	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2Na-H"	44.97116
"184864"	407.219318	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+2Na"	45.978436
"623693"	599.334368	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+2Na"	45.978436
"1127565"	215.104268	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2Na"	45.978436
"1411819"	143.738604	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H+2Na"	46.985712
"1443932"	431.242846	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H+HCOOH"	47.012746
"234721"	412.25234	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+3H2O+2H"	56.04448
"1518778"	445.29489	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+IsoProp+H"	61.06479
"418463"	415.206288	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+Na+K"	61.952376
"779458"	607.321338	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+Na+K"	61.952376
"1671416"	223.091238	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Na+K"	61.952376
"262314"	832.475968	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+ACN+Na"	64.015768
"1231742"	448.245868	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+ACN+Na"	64.015768
"1718075"	448.269393	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+NH4+HCOOH"	64.039293
"1184159"	151.065918	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+3Na"	68.967654
"1655510"	453.224788	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Na+HCOOH"	68.994688
"161275"	845.37924	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+2K-H"	76.91904
"603391"	1229.60934	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+2K-H"	76.91904
"1099452"	461.14914	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2K-H"	76.91904
"150184"	423.193258	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"2M+2K"	77.926316
"596964"	615.308308	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"3M+2K"	77.926316
"1078629"	231.078208	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2K"	77.926316
"1112935"	463.163692	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2K+H"	78.933592
"1338379"	463.251307	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+DMSO+H"	79.021207
"1008733"	467.290476	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2ACN+H"	83.060376
"1526128"	468.284108	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+IsoProp+Na+H"	84.054008
"991847"	234.148876	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+2ACN+2H"	84.067652
"1590362"	469.198728	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+K+HCOOH"	84.968628
"1422592"	499.230238	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+H+CF3COOH"	115.000138
"1153975"	254.662151	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+3ACN+2H"	125.094202
"1707900"	516.256785	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+NH4+CF3COOH"	132.026685
"1645738"	521.21218	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+Na+CF3COOH"	136.98208
"1583575"	537.18612	"C19643"	"Scillarenin;3beta14-Dihydroxy-14beta-bufa-42022-trienolide"	"C24H32O4"	"384.2301"	"M+K+CF3COOH"	152.95602
"813941"	416.4018	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M"	0
"989300"	397.38341	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-H2O-H"	-19.01839
"73534"	276.593924	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M-3H"	-3.021828
"512001"	415.394524	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M-3H"	-3.021828
"890895"	137.793324	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-3H"	-3.021828
"4002"	415.394524	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M-2H"	-2.014552
"443561"	623.595424	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M-2H"	-2.014552
"821364"	207.193624	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-2H"	-2.014552
"83905"	831.796324	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M-H"	-1.007276
"531857"	1248.198124	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M-H"	-1.007276
"910272"	415.394524	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-H"	-1.007276
"61123"	848.822871	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M-2H+NH4"	16.019271
"491571"	1265.224671	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M-2H+NH4"	16.019271
"866090"	432.421071	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-2H+NH4"	16.019271
"37275"	853.778266	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M-2H+Na"	20.974666
"477928"	1270.180066	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M-2H+Na"	20.974666
"855729"	437.376466	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-2H+Na"	20.974666
"1631823"	437.376466	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Na-2H"	20.974666
"102885"	433.382863	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M-H+Cl"	33.962126
"544632"	641.583763	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M-H+Cl"	33.962126
"941305"	225.181963	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-H+Cl"	33.962126
"280714"	867.773002	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+Cl"	34.969402
"671312"	1284.174802	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+Cl"	34.969402
"1284808"	451.371202	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Cl"	34.969402
"27366"	869.752206	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M-2H+K"	36.948606
"463645"	1286.154006	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M-2H+K"	36.948606
"844726"	453.350406	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-2H+K"	36.948606
"1567128"	453.350406	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+K-2H"	36.948606
"952822"	461.399994	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-H+HCOOH"	44.998194
"373956"	877.801801	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+HCOOH-H"	44.998201
"354922"	891.817451	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+Hac-H"	59.013851
"1501568"	475.415651	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Hac-H"	59.013851
"966923"	483.381951	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-H+NaCOOH"	66.980151
"115829"	451.371202	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+2Cl"	69.938804
"562321"	659.572102	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+2Cl"	69.938804
"1029664"	243.170302	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2Cl"	69.938804
"1245962"	495.320685	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Br"	78.918885
"1309872"	497.376672	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Cl+HCOOH"	80.974872
"1325547"	519.358629	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Cl+NaCOOH"	102.956829
"916241"	529.387386	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M-H+CF3COOH"	112.985586
"1293679"	565.364064	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Cl+CF3COOH"	148.962264
"1369289"	381.389124	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H-2H2O"	-35.012676
"1386059"	399.3991	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H-H2O"	-17.0027
"284287"	833.810876	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+H"	1.007276
"676337"	1250.212676	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+H"	1.007276
"1352321"	417.409076	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H"	1.007276
"126548"	417.409076	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+2H"	2.014552
"569516"	625.609976	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+2H"	2.014552
"1039409"	209.208176	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2H"	2.014552
"205233"	278.608476	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+3H"	3.021828
"647963"	417.409076	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+3H"	3.021828
"1164265"	139.807876	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+3H"	3.021828
"430091"	850.837423	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+NH4"	18.033823
"788168"	1267.239223	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+NH4"	18.033823
"1684499"	434.435623	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+NH4"	18.033823
"331318"	425.9223495	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+H+NH4"	19.041099
"723374"	634.1232495	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+H+NH4"	19.041099
"1483033"	217.7214495	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H+NH4"	19.041099
"400625"	855.792818	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+Na"	22.989218
"759432"	1272.194618	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+Na"	22.989218
"1608624"	439.391018	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Na"	22.989218
"324129"	428.400047	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+H+Na"	23.996494
"711447"	636.600947	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+H+Na"	23.996494
"1469277"	220.199147	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H+Na"	23.996494
"1057055"	147.13519	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2H+Na"	25.00377
"1267480"	449.435286	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+CH3OH+H"	33.033486
"388240"	871.766758	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+K"	38.963158
"750328"	1288.168558	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+K"	38.963158
"1552017"	455.364958	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+K"	38.963158
"308464"	436.387017	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+H+K"	39.970434
"705260"	644.587917	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+H+K"	39.970434
"1461030"	228.186117	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H+K"	39.970434
"248776"	874.837426	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+ACN+H"	42.033826
"1221484"	458.435626	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+ACN+H"	42.033826
"1203183"	229.721451	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+ACN+2H"	43.041102
"194961"	877.77476	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+2Na-H"	44.97116
"635621"	1294.17656	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+2Na-H"	44.97116
"1144596"	461.37296	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2Na-H"	44.97116
"184975"	439.391018	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+2Na"	45.978436
"623437"	647.591918	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+2Na"	45.978436
"1125121"	231.190118	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2Na"	45.978436
"1407552"	154.462504	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H+2Na"	46.985712
"1441856"	463.414546	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H+HCOOH"	47.012746
"231551"	444.42404	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+3H2O+2H"	56.04448
"1517792"	477.46659	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+IsoProp+H"	61.06479
"419667"	447.377988	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+Na+K"	61.952376
"777381"	655.578888	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+Na+K"	61.952376
"1671526"	239.177088	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Na+K"	61.952376
"258051"	896.819368	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+ACN+Na"	64.015768
"1229666"	480.417568	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+ACN+Na"	64.015768
"1715268"	480.441093	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+NH4+HCOOH"	64.039293
"1179893"	161.789818	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+3Na"	68.967654
"1652702"	485.396488	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Na+HCOOH"	68.994688
"162117"	909.72264	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+2K-H"	76.91904
"603500"	1326.12444	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+2K-H"	76.91904
"1098705"	493.32084	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2K-H"	76.91904
"152479"	455.364958	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"2M+2K"	77.926316
"594231"	663.565858	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"3M+2K"	77.926316
"1073271"	247.164058	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2K"	77.926316
"1111583"	495.335392	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2K+H"	78.933592
"1340680"	495.423007	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+DMSO+H"	79.021207
"1007750"	499.462176	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2ACN+H"	83.060376
"1525872"	500.455808	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+IsoProp+Na+H"	84.054008
"991106"	250.234726	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+2ACN+2H"	84.067652
"1589379"	501.370428	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+K+HCOOH"	84.968628
"1423795"	531.401938	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+H+CF3COOH"	115.000138
"1156273"	270.748001	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+3ACN+2H"	125.094202
"1711290"	548.428485	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+NH4+CF3COOH"	132.026685
"1646942"	553.38388	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+Na+CF3COOH"	136.98208
"1583685"	569.35782	"C19644"	"Stigmastanol;beta-Sitostanol"	"C29H52O"	"416.4018"	"M+K+CF3COOH"	152.95602
"810776"	416.329	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M"	0
"981029"	397.31061	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"71457"	276.545390666667	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"506645"	415.321724	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"886634"	137.769057333333	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"6303"	415.321724	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"448050"	623.486224	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"826947"	207.157224	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"91323"	831.650724	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"532829"	1247.979724	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"909774"	415.321724	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"57588"	848.677271	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"491681"	1265.006271	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"866202"	432.348271	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"37383"	853.632666	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"474756"	1269.961666	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"855840"	437.303666	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1629748"	437.303666	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"106276"	433.310063	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"543649"	641.474563	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"940082"	225.145563	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"276816"	867.627402	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"665956"	1283.956402	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1286748"	451.298402	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"30639"	869.606606	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"469225"	1285.935606	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"844843"	453.277606	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1562863"	453.277606	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"948561"	461.327194	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"371149"	877.656201	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"350660"	891.671851	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1502774"	475.342851	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"965213"	483.309151	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"116309"	451.298402	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"555140"	659.462902	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1023943"	243.133902	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1242061"	495.247885	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1307431"	497.303872	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1320672"	519.285829	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"912337"	529.314586	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1289168"	565.291264	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1368790"	381.316324	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1383004"	399.3263	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"282884"	833.665276	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"675793"	1249.994276	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1351822"	417.336276	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"126416"	417.336276	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"566222"	625.500776	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1037570"	209.171776	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"212524"	278.559942666667	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"652085"	417.336276	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1170212"	139.783609333333	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"431298"	850.691823	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"794483"	1267.020823	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1686439"	434.362823	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"333626"	425.8495495	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"728231"	634.0140495	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1483144"	217.6850495	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"395262"	855.647218	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"759539"	1271.976218	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1607637"	439.318218	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"319860"	428.327247	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"713378"	636.491747	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1466105"	220.162747	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1058257"	147.110923333333	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1259936"	449.362486	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"379603"	871.621158	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"742785"	1287.950158	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1544109"	455.292158	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"302013"	436.314217	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"696986"	644.478717	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1450078"	228.149717	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"241232"	874.691826	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1215401"	458.362826	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1201113"	229.685051	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"201645"	877.62916	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"639748"	1293.95816	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1144344"	461.30016	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"183626"	439.318218	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"624280"	647.482718	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1124505"	231.153718	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1405843"	154.438237333333	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1440144"	463.341746	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"227653"	444.35124	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1514625"	477.39379	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"417957"	447.305188	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"774214"	655.469688	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1670548"	239.140688	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"253055"	896.673768	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1229409"	480.344768	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1714285"	480.368293	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1181463"	161.765551333333	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1652812"	485.323688	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"162224"	909.57704	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"602511"	1325.90604	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1090307"	493.24804	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"142746"	455.292158	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"585585"	663.456658	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1071561"	247.127658	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1102948"	495.262592	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1336778"	495.350207	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1010417"	499.389376	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1530733"	500.383008	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"993903"	250.198326	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1591687"	501.297628	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1416005"	531.329138	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1148725"	270.711601	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1697550"	548.355685	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1644867"	553.31108	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1583797"	569.28502	"C19648"	"Pseudotigogenin;(25R)-5alpha-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"810886"	416.329	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M"	0
"984419"	397.31061	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"67194"	276.545390666667	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"506755"	415.321724	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"885651"	137.769057333333	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"6413"	415.321724	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"447067"	623.486224	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"827057"	207.157224	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"93376"	831.650724	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"532083"	1247.979724	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"909157"	415.321724	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"60978"	848.677271	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"495071"	1265.006271	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"866313"	432.348271	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"37493"	853.632666	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"472678"	1269.961666	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"859230"	437.303666	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1632045"	437.303666	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"108573"	433.310063	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"547039"	641.474563	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"940193"	225.145563	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"276926"	867.627402	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"663880"	1283.956402	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1286493"	451.298402	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"28684"	869.606606	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"468971"	1285.935606	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"844953"	453.277606	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1562973"	453.277606	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"948671"	461.327194	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"373446"	877.656201	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"352956"	891.671851	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1502884"	475.342851	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"967145"	483.309151	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"117147"	451.298402	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"555614"	659.462902	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1028796"	243.133902	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1243632"	495.247885	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1307541"	497.303872	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1319913"	519.285829	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"916461"	529.314586	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1289887"	565.291264	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1369513"	381.316324	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1384456"	399.3263	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"285966"	833.665276	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"677292"	1249.994276	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1352302"	417.336276	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"127625"	417.336276	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"574841"	625.500776	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1039630"	209.171776	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"210448"	278.559942666667	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"655476"	417.336276	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1172511"	139.783609333333	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"431408"	850.691823	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"792408"	1267.020823	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1687644"	434.362823	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"333737"	425.8495495	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"729434"	634.0140495	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1485441"	217.6850495	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"399747"	855.647218	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"762930"	1271.976218	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1609934"	439.318218	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"318877"	428.327247	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"714580"	636.491747	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1467308"	220.162747	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1059461"	147.110923333333	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1262232"	449.362486	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"380806"	871.621158	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"742894"	1287.950158	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1546043"	455.292158	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"302124"	436.314217	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"697825"	644.478717	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1448730"	228.149717	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"242438"	874.691826	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1215147"	458.362826	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1202316"	229.685051	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"201026"	877.62916	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"639859"	1293.95816	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1143725"	461.30016	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"182643"	439.318218	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"625484"	647.482718	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1123522"	231.153718	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1407047"	154.438237333333	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1436974"	463.341746	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"227763"	444.35124	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1514735"	477.39379	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"417703"	447.305188	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"780885"	655.469688	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1670657"	239.140688	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"257176"	896.673768	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1230614"	480.344768	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1716948"	480.368293	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1183759"	161.765551333333	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1655475"	485.323688	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"161606"	909.57704	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"601527"	1325.90604	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1091509"	493.24804	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"143584"	455.292158	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"585698"	663.456658	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1070940"	247.127658	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1100865"	495.262592	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1336763"	495.350207	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1006751"	499.389376	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1529747"	500.383008	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"992917"	250.198326	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1589609"	501.297628	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1417452"	531.329138	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1148469"	270.711601	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1699117"	548.355685	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1646070"	553.31108	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1583907"	569.28502	"C19649"	"Pseudosarsasapogenin;(25S)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"814277"	416.329	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M"	0
"984529"	397.31061	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H2O-H"	-19.01839
"67305"	276.545390666667	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-3H"	-3.021828
"503258"	415.321724	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-3H"	-3.021828
"881387"	137.769057333333	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-3H"	-3.021828
"99"	415.321724	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H"	-2.014552
"440290"	623.486224	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H"	-2.014552
"817197"	207.157224	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H"	-2.014552
"86065"	831.650724	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-H"	-1.007276
"532556"	1247.979724	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-H"	-1.007276
"905621"	415.321724	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H"	-1.007276
"56714"	848.677271	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+NH4"	16.019271
"498462"	1265.006271	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+NH4"	16.019271
"871891"	432.348271	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+NH4"	16.019271
"40884"	853.632666	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+Na"	20.974666
"481538"	1269.961666	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+Na"	20.974666
"861169"	437.303666	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+Na"	20.974666
"1631427"	437.303666	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na-2H"	20.974666
"105402"	433.310063	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-H+Cl"	33.962126
"548243"	641.474563	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-H+Cl"	33.962126
"940303"	225.145563	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+Cl"	33.962126
"277766"	867.627402	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Cl"	34.969402
"669458"	1283.956402	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Cl"	34.969402
"1285143"	451.298402	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl"	34.969402
"29522"	869.606606	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M-2H+K"	36.948606
"466165"	1285.935606	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M-2H+K"	36.948606
"846888"	453.277606	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-2H+K"	36.948606
"1564177"	453.277606	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K-2H"	36.948606
"950968"	461.327194	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+HCOOH"	44.998194
"375379"	877.656201	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+HCOOH-H"	44.998201
"354160"	891.671851	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Hac-H"	59.013851
"1501900"	475.342851	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Hac-H"	59.013851
"965432"	483.309151	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+NaCOOH"	66.980151
"118350"	451.298402	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Cl"	69.938804
"554996"	659.462902	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Cl"	69.938804
"1028906"	243.133902	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Cl"	69.938804
"1243377"	495.247885	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Br"	78.918885
"1307287"	497.303872	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+HCOOH"	80.974872
"1324056"	519.285829	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+NaCOOH"	102.956829
"915115"	529.314586	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M-H+CF3COOH"	112.985586
"1298385"	565.291264	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Cl+CF3COOH"	148.962264
"1367557"	381.316324	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H-2H2O"	-35.012676
"1384203"	399.3263	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H-H2O"	-17.0027
"286076"	833.665276	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H"	1.007276
"678497"	1249.994276	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H"	1.007276
"1352655"	417.336276	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H"	1.007276
"126761"	417.336276	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2H"	2.014552
"567659"	625.500776	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2H"	2.014552
"1037179"	209.171776	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2H"	2.014552
"210557"	278.559942666667	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+3H"	3.021828
"649024"	417.336276	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+3H"	3.021828
"1170432"	139.783609333333	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3H"	3.021828
"434797"	850.691823	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+NH4"	18.033823
"792517"	1267.020823	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+NH4"	18.033823
"1692125"	434.362823	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4"	18.033823
"336031"	425.8495495	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+NH4"	19.041099
"728451"	634.0140495	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+NH4"	19.041099
"1478018"	217.6850495	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+NH4"	19.041099
"399857"	855.647218	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Na"	22.989218
"759761"	1271.976218	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Na"	22.989218
"1607858"	439.318218	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na"	22.989218
"321175"	428.327247	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+Na"	23.996494
"715057"	636.491747	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+Na"	23.996494
"1469604"	220.162747	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+Na"	23.996494
"1060665"	147.110923333333	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2H+Na"	25.00377
"1262343"	449.362486	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+CH3OH+H"	33.033486
"386020"	871.621158	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+K"	38.963158
"747015"	1287.950158	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+K"	38.963158
"1546152"	455.292158	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K"	38.963158
"302234"	436.314217	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+H+K"	39.970434
"694655"	644.478717	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+H+K"	39.970434
"1446409"	228.149717	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+K"	39.970434
"244734"	874.691826	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+ACN+H"	42.033826
"1214526"	458.362826	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+H"	42.033826
"1202427"	229.685051	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+2H"	43.041102
"200770"	877.62916	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Na-H"	44.97116
"640695"	1293.95816	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Na-H"	44.97116
"1139830"	461.30016	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Na-H"	44.97116
"181660"	439.318218	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2Na"	45.978436
"622313"	647.482718	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2Na"	45.978436
"1125092"	231.153718	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2Na"	45.978436
"1407887"	154.438237333333	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+2Na"	46.985712
"1439272"	463.341746	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+HCOOH"	47.012746
"227875"	444.35124	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+3H2O+2H"	56.04448
"1520313"	477.39379	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+IsoProp+H"	61.06479
"420000"	447.305188	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+Na+K"	61.952376
"779905"	655.469688	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+Na+K"	61.952376
"1674047"	239.140688	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+K"	61.952376
"257286"	896.673768	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+ACN+Na"	64.015768
"1234367"	480.344768	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+ACN+Na"	64.015768
"1713288"	480.368293	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4+HCOOH"	64.039293
"1181320"	161.765551333333	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3Na"	68.967654
"1651575"	485.323688	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+HCOOH"	68.994688
"163175"	909.57704	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2K-H"	76.91904
"602732"	1325.90604	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2K-H"	76.91904
"1087611"	493.24804	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K-H"	76.91904
"144061"	455.292158	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"2M+2K"	77.926316
"586903"	663.456658	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"3M+2K"	77.926316
"1070322"	247.127658	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K"	77.926316
"1102435"	495.262592	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2K+H"	78.933592
"1337727"	495.350207	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+DMSO+H"	79.021207
"1006626"	499.389376	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2ACN+H"	83.060376
"1530951"	500.383008	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+IsoProp+Na+H"	84.054008
"996310"	250.198326	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+2ACN+2H"	84.067652
"1594094"	501.297628	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K+HCOOH"	84.968628
"1416108"	531.329138	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+H+CF3COOH"	115.000138
"1152229"	270.711601	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+3ACN+2H"	125.094202
"1708342"	548.355685	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+NH4+CF3COOH"	132.026685
"1646180"	553.31108	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+Na+CF3COOH"	136.98208
"1584017"	569.28502	"C19650"	"Pseudosmilagenin;(25R)-5beta-Furost-20(22)-ene-3beta26-diol"	"C27H44O3"	"416.329"	"M+K+CF3COOH"	152.95602
"811106"	402.3862	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M"	0
"981359"	383.36781	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H2O-H"	-19.01839
"67415"	267.250190666667	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-3H"	-3.021828
"504055"	401.378924	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-3H"	-3.021828
"881496"	133.121457333333	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-3H"	-3.021828
"514"	401.378924	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H"	-2.014552
"440480"	602.572024	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H"	-2.014552
"817470"	200.185824	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H"	-2.014552
"82894"	803.765124	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-H"	-1.007276
"529017"	1206.151324	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-H"	-1.007276
"904274"	401.378924	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H"	-1.007276
"58283"	820.791671	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H+NH4"	16.019271
"498209"	1223.177871	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H+NH4"	16.019271
"869813"	418.405471	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H+NH4"	16.019271
"40994"	825.747066	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H+Na"	20.974666
"481648"	1228.133266	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H+Na"	20.974666
"861279"	423.360866	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H+Na"	20.974666
"1630810"	423.360866	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na-2H"	20.974666
"106605"	419.367263	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-H+Cl"	33.962126
"547625"	620.560363	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-H+Cl"	33.962126
"939685"	218.174163	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+Cl"	33.962126
"279333"	839.741802	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Cl"	34.969402
"669568"	1242.128002	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+Cl"	34.969402
"1285254"	437.355602	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl"	34.969402
"28539"	841.721006	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M-2H+K"	36.948606
"465182"	1244.107206	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M-2H+K"	36.948606
"845906"	439.334806	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-2H+K"	36.948606
"1562100"	439.334806	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K-2H"	36.948606
"953265"	447.384394	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+HCOOH"	44.998194
"375854"	849.770601	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+HCOOH-H"	44.998201
"353177"	863.786251	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Hac-H"	59.013851
"1499824"	461.400051	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Hac-H"	59.013851
"966272"	469.366351	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+NaCOOH"	66.980151
"117368"	437.355602	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2Cl"	69.938804
"555107"	638.548702	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2Cl"	69.938804
"1029016"	236.162502	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2Cl"	69.938804
"1244217"	481.305085	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Br"	78.918885
"1306669"	483.361072	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl+HCOOH"	80.974872
"1324166"	505.343029	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl+NaCOOH"	102.956829
"915225"	515.371786	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M-H+CF3COOH"	112.985586
"1299588"	551.348464	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Cl+CF3COOH"	148.962264
"1369006"	367.373524	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H-2H2O"	-35.012676
"1385408"	385.3835	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H-H2O"	-17.0027
"287279"	805.779676	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H"	1.007276
"680794"	1208.165876	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H"	1.007276
"1352158"	403.393476	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H"	1.007276
"131126"	403.393476	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2H"	2.014552
"566674"	604.586576	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2H"	2.014552
"1038025"	202.200376	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2H"	2.014552
"205558"	269.264742666667	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+3H"	3.021828
"648040"	403.393476	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+3H"	3.021828
"1164099"	135.136009333333	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+3H"	3.021828
"431627"	822.806223	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+NH4"	18.033823
"795903"	1225.192423	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+NH4"	18.033823
"1692235"	420.420023	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+NH4"	18.033823
"337236"	411.9067495	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H+NH4"	19.041099
"727469"	613.0998495	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H+NH4"	19.041099
"1481288"	210.7136495	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+NH4"	19.041099
"396687"	827.761618	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Na"	22.989218
"760963"	1230.147818	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+Na"	22.989218
"1605780"	425.375418	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na"	22.989218
"315817"	414.384447	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H+Na"	23.996494
"711519"	615.577547	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H+Na"	23.996494
"1470807"	213.191347	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+Na"	23.996494
"1059681"	142.463323333333	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2H+Na"	25.00377
"1262453"	435.419686	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+CH3OH+H"	33.033486
"383214"	843.735558	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+K"	38.963158
"746396"	1246.121758	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+K"	38.963158
"1541157"	441.349358	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K"	38.963158
"298773"	422.371417	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+H+K"	39.970434
"692211"	623.564517	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+H+K"	39.970434
"1446398"	221.178317	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+K"	39.970434
"236093"	846.806226	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+ACN+H"	42.033826
"1210989"	444.420026	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+ACN+H"	42.033826
"1200346"	222.713651	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+ACN+2H"	43.041102
"198329"	849.74356	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2Na-H"	44.97116
"639712"	1252.12976	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2Na-H"	44.97116
"1142854"	447.35736	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2Na-H"	44.97116
"179583"	425.375418	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2Na"	45.978436
"621330"	626.568518	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2Na"	45.978436
"1123745"	224.182318	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2Na"	45.978436
"1408358"	149.790637333333	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+2Na"	46.985712
"1439019"	449.398946	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+HCOOH"	47.012746
"227985"	430.40844	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+3H2O+2H"	56.04448
"1520424"	463.45099	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+IsoProp+H"	61.06479
"420110"	433.362388	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+Na+K"	61.952376
"776732"	634.555488	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+Na+K"	61.952376
"1675250"	232.169288	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na+K"	61.952376
"254480"	868.788168	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+ACN+Na"	64.015768
"1226824"	466.401968	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+ACN+Na"	64.015768
"1717897"	466.425493	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+NH4+HCOOH"	64.039293
"1180334"	157.117951333333	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+3Na"	68.967654
"1650959"	471.380888	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na+HCOOH"	68.994688
"161462"	881.69144	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2K-H"	76.91904
"601020"	1284.07764	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2K-H"	76.91904
"1088814"	479.30524	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2K-H"	76.91904
"141984"	441.349358	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"2M+2K"	77.926316
"584826"	642.542458	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"3M+2K"	77.926316
"1070432"	240.156258	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2K"	77.926316
"1101451"	481.319792	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2K+H"	78.933592
"1336744"	481.407407	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+DMSO+H"	79.021207
"1006492"	485.446576	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2ACN+H"	83.060376
"1532154"	486.440208	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+IsoProp+Na+H"	84.054008
"997513"	243.226926	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+2ACN+2H"	84.067652
"1590924"	487.354828	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K+HCOOH"	84.968628
"1415490"	517.386338	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+H+CF3COOH"	115.000138
"1151246"	263.740201	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+3ACN+2H"	125.094202
"1705172"	534.412885	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+NH4+CF3COOH"	132.026685
"1643009"	539.36828	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+Na+CF3COOH"	136.98208
"1584127"	555.34222	"C19651"	"Ergostanol;(24S)-5alpha-Ergostan-3beta-ol"	"C28H50O"	"402.3862"	"M+K+CF3COOH"	152.95602
"816567"	400.3705	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M"	0
"988029"	381.35211	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"74086"	265.906390666667	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"508179"	399.363224	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"884887"	132.449557333333	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"1633"	399.363224	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"450677"	599.548474	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"831034"	199.177974	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"91394"	799.733724	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"531323"	1200.104224	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"908394"	399.363224	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"58396"	816.760271	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"498686"	1217.130771	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"874298"	416.389771	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"43656"	821.715666	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"483582"	1222.086166	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"861021"	421.345166	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1632378"	421.345166	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"108902"	417.351563	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"547377"	617.536813	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"939800"	217.166313	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"279450"	835.710402	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"672596"	1236.080902	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1286096"	435.339902	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"27561"	837.689606	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"467481"	1238.060106	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"843465"	437.319106	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1563305"	437.319106	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"952281"	445.368694	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"371590"	845.739201	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"354380"	859.754851	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1499936"	459.384351	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"966385"	467.350651	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"117845"	435.339902	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"552667"	635.525152	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1029130"	235.154652	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1250897"	479.289385	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1316260"	481.345372	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1329749"	503.327329	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"922992"	513.356086	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1300793"	549.332764	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1369481"	365.357824	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1388798"	383.3678	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"289577"	801.748276	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"683092"	1202.118776	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1364180"	401.377776	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"128078"	401.377776	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"572986"	601.563026	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1043970"	201.192526	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"206156"	267.920942666667	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"648150"	401.377776	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1165303"	134.464109333333	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"429551"	818.774823	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"797107"	1219.145323	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1692345"	418.404323	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"337347"	409.8910495	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"728673"	610.0762995	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1484680"	209.7057995	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"397893"	823.730218	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"764358"	1224.100718	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1614640"	423.359718	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"324678"	412.368747	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"716008"	612.553997	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1470921"	212.183497	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1066719"	141.791423333333	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1270583"	433.403986	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"388791"	839.704158	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"747599"	1240.074658	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1545279"	439.333658	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"303548"	420.355717	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"698155"	620.540967	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1446874"	220.170467	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"243860"	842.774826	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1213288"	442.404326	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1202642"	221.705801	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"202330"	845.71216	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"642258"	1246.08266	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1143328"	445.34166	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"186141"	423.359718	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"626792"	623.544968	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1128594"	223.174468	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1412363"	149.118737333333	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1442776"	447.383246	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"233929"	428.39274	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1522482"	461.43529	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"422407"	431.346688	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"781219"	631.531938	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1672083"	231.161438	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"259697"	864.756768	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1233496"	464.386268	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1721288"	464.409793	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1187737"	156.446051333333	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1657630"	469.365188	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"163396"	877.66004	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"608423"	1278.03054	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1088561"	477.28954	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"144650"	439.333658	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"586034"	639.518908	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1071274"	239.148408	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1104849"	479.304092	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1339407"	479.391707	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1011952"	483.430876	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1531172"	484.424508	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"992154"	242.219076	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1592127"	485.339128	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1429334"	515.370638	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1155731"	262.732351	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1707470"	532.397185	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1646036"	537.35258	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1584237"	553.32652	"C19652"	"alpha-Ergostenol;5alpha-Ergosta-8(14)-ene-3beta-ol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"814606"	396.3392	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M"	0
"984858"	377.32081	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H2O-H"	-19.01839
"67634"	263.218857333333	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-3H"	-3.021828
"506100"	395.331924	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-3H"	-3.021828
"880985"	131.105790666667	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-3H"	-3.021828
"1383"	395.331924	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H"	-2.014552
"445318"	593.501524	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H"	-2.014552
"828592"	197.162324	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H"	-2.014552
"91991"	791.671124	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-H"	-1.007276
"529974"	1188.010324	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-H"	-1.007276
"907043"	395.331924	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H"	-1.007276
"59231"	808.697671	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H+NH4"	16.019271
"499159"	1205.036871	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H+NH4"	16.019271
"875868"	412.358471	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H+NH4"	16.019271
"41215"	813.653066	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H+Na"	20.974666
"484056"	1209.992266	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H+Na"	20.974666
"861858"	417.313866	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H+Na"	20.974666
"1633096"	417.313866	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na-2H"	20.974666
"109621"	413.320263	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-H+Cl"	33.962126
"547486"	611.489863	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-H+Cl"	33.962126
"939179"	215.150663	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+Cl"	33.962126
"278829"	827.647802	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Cl"	34.969402
"668703"	1223.987002	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+Cl"	34.969402
"1283654"	431.308602	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl"	34.969402
"26212"	829.627006	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M-2H+K"	36.948606
"464312"	1225.966206	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M-2H+K"	36.948606
"845764"	433.287806	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-2H+K"	36.948606
"1566697"	433.287806	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K-2H"	36.948606
"952391"	441.337394	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+HCOOH"	44.998194
"368422"	837.676601	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+HCOOH-H"	44.998201
"355587"	851.692251	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Hac-H"	59.013851
"1503326"	455.353051	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Hac-H"	59.013851
"966495"	463.319351	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+NaCOOH"	66.980151
"117592"	431.308602	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2Cl"	69.938804
"560437"	629.478202	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2Cl"	69.938804
"1031426"	233.139002	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2Cl"	69.938804
"1253922"	475.258085	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Br"	78.918885
"1318557"	477.314072	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl+HCOOH"	80.974872
"1334596"	499.296029	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl+NaCOOH"	102.956829
"924924"	509.324786	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M-H+CF3COOH"	112.985586
"1302727"	545.301464	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Cl+CF3COOH"	148.962264
"1379068"	361.326524	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H-2H2O"	-35.012676
"1391096"	379.3365	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H-H2O"	-17.0027
"286408"	793.685676	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H"	1.007276
"682110"	1190.024876	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H"	1.007276
"1361741"	397.346476	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H"	1.007276
"129161"	397.346476	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2H"	2.014552
"574189"	595.516076	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2H"	2.014552
"1041893"	199.176876	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2H"	2.014552
"206512"	265.233409333333	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+3H"	3.021828
"648262"	397.346476	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+3H"	3.021828
"1167480"	133.120342666667	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+3H"	3.021828
"429661"	810.712223	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+NH4"	18.033823
"796124"	1207.051423	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+NH4"	18.033823
"1689176"	414.373023	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+NH4"	18.033823
"338550"	405.8597495	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H+NH4"	19.041099
"728785"	604.0293495	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H+NH4"	19.041099
"1483700"	207.6901495	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+NH4"	19.041099
"405661"	815.667618	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Na"	22.989218
"766656"	1212.006818	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+Na"	22.989218
"1614753"	419.328418	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na"	22.989218
"322604"	408.337447	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H+Na"	23.996494
"715023"	606.507047	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H+Na"	23.996494
"1471031"	210.167847	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+Na"	23.996494
"1063183"	140.447656666667	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2H+Na"	25.00377
"1269234"	429.372686	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+CH3OH+H"	33.033486
"388903"	831.641558	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+K"	38.963158
"747710"	1227.980758	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+K"	38.963158
"1552316"	435.302358	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K"	38.963158
"309125"	416.324417	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+H+K"	39.970434
"698266"	614.494017	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+H+K"	39.970434
"1447711"	218.154817	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+K"	39.970434
"241784"	834.712226	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+ACN+H"	42.033826
"1215591"	438.373026	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+ACN+H"	42.033826
"1200566"	219.690151	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+ACN+2H"	43.041102
"201831"	837.64956	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2Na-H"	44.97116
"641027"	1233.98876	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2Na-H"	44.97116
"1144531"	441.31036	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2Na-H"	44.97116
"184179"	419.328418	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2Na"	45.978436
"624830"	617.498018	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2Na"	45.978436
"1125428"	221.158818	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2Na"	45.978436
"1409674"	147.774970666667	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+2Na"	46.985712
"1440337"	443.351946	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+HCOOH"	47.012746
"231486"	424.36144	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+3H2O+2H"	56.04448
"1518096"	457.40399	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+IsoProp+H"	61.06479
"419603"	427.315388	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+Na+K"	61.952376
"779869"	625.484988	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+Na+K"	61.952376
"1672193"	229.145788	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na+K"	61.952376
"253245"	856.694168	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+ACN+Na"	64.015768
"1231421"	460.354968	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+ACN+Na"	64.015768
"1718119"	460.378493	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+NH4+HCOOH"	64.039293
"1185660"	155.102284666667	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+3Na"	68.967654
"1654460"	465.333888	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na+HCOOH"	68.994688
"159133"	869.59744	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2K-H"	76.91904
"605252"	1265.93664	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2K-H"	76.91904
"1084417"	473.25824	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2K-H"	76.91904
"141964"	435.302358	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"2M+2K"	77.926316
"583226"	633.471958	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"3M+2K"	77.926316
"1071018"	237.132758	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2K"	77.926316
"1102039"	475.272792	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2K+H"	78.933592
"1341337"	475.360407	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+DMSO+H"	79.021207
"1008409"	479.399576	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2ACN+H"	83.060376
"1528001"	480.393208	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+IsoProp+Na+H"	84.054008
"992629"	240.203426	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+2ACN+2H"	84.067652
"1592237"	481.307828	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K+HCOOH"	84.968628
"1417898"	511.339338	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+H+CF3COOH"	115.000138
"1158028"	260.716701	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+3ACN+2H"	125.094202
"1710132"	528.365885	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+NH4+CF3COOH"	132.026685
"1643230"	533.32128	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+Na+CF3COOH"	136.98208
"1584347"	549.29522	"C19653"	"Lumisterol;9beta10alpha-Ergosta-5722-trien-3beta-ol"	"C28H44O"	"396.3392"	"M+K+CF3COOH"	152.95602
"811436"	414.3862	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M"	0
"978407"	395.36781	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-H2O-H"	-19.01839
"66650"	275.250190666667	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M-3H"	-3.021828
"506210"	413.378924	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M-3H"	-3.021828
"881826"	137.121457333333	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-3H"	-3.021828
"1857"	413.378924	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M-2H"	-2.014552
"443242"	620.572024	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M-2H"	-2.014552
"828702"	206.185824	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-2H"	-2.014552
"92951"	827.765124	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M-H"	-1.007276
"532267"	1242.151324	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M-H"	-1.007276
"909338"	413.378924	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-H"	-1.007276
"53873"	844.791671	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M-2H+NH4"	16.019271
"498902"	1259.177871	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M-2H+NH4"	16.019271
"877795"	430.405471	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-2H+NH4"	16.019271
"43513"	849.747066	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M-2H+Na"	20.974666
"481979"	1264.133266	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M-2H+Na"	20.974666
"860874"	435.360866	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-2H+Na"	20.974666
"1631868"	435.360866	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Na-2H"	20.974666
"108760"	431.367263	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M-H+Cl"	33.962126
"547593"	638.560363	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M-H+Cl"	33.962126
"935644"	224.174163	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-H+Cl"	33.962126
"277482"	863.741802	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+Cl"	34.969402
"668812"	1278.128002	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+Cl"	34.969402
"1283400"	449.355602	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Cl"	34.969402
"27047"	865.721006	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M-2H+K"	36.948606
"464421"	1280.107206	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M-2H+K"	36.948606
"843319"	451.334806	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-2H+K"	36.948606
"1563528"	451.334806	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+K-2H"	36.948606
"950314"	459.384394	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-H+HCOOH"	44.998194
"365978"	873.770601	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+HCOOH-H"	44.998201
"354602"	887.786251	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+Hac-H"	59.013851
"1503436"	473.400051	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Hac-H"	59.013851
"966605"	481.366351	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-H+NaCOOH"	66.980151
"116608"	449.355602	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+2Cl"	69.938804
"556171"	656.548702	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+2Cl"	69.938804
"1031537"	242.162502	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2Cl"	69.938804
"1253303"	493.305085	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Br"	78.918885
"1317938"	495.361072	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Cl+HCOOH"	80.974872
"1333613"	517.343029	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Cl+NaCOOH"	102.956829
"922847"	527.371786	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M-H+CF3COOH"	112.985586
"1302838"	563.348464	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Cl+CF3COOH"	148.962264
"1379180"	379.373524	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H-2H2O"	-35.012676
"1392300"	397.3835	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H-H2O"	-17.0027
"289799"	829.779676	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+H"	1.007276
"689146"	1244.165876	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+H"	1.007276
"1361849"	415.393476	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H"	1.007276
"132552"	415.393476	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+2H"	2.014552
"573205"	622.586576	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+2H"	2.014552
"1040910"	208.200376	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2H"	2.014552
"205530"	277.264742666667	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+3H"	3.021828
"648372"	415.393476	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+3H"	3.021828
"1164310"	139.136009333333	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+3H"	3.021828
"429771"	846.806223	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+NH4"	18.033823
"796234"	1261.192423	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+NH4"	18.033823
"1692566"	432.420023	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+NH4"	18.033823
"339754"	423.9067495	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+H+NH4"	19.041099
"734365"	631.0998495	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+H+NH4"	19.041099
"1485998"	216.7136495	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H+NH4"	19.041099
"407474"	851.761618	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+Na"	22.989218
"767860"	1266.147818	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+Na"	22.989218
"1615957"	437.375418	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Na"	22.989218
"322714"	426.384447	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+H+Na"	23.996494
"714041"	633.577547	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+H+Na"	23.996494
"1465675"	219.191347	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H+Na"	23.996494
"1060013"	146.463323333333	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2H+Na"	25.00377
"1268251"	447.419686	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+CH3OH+H"	33.033486
"384640"	867.735558	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+K"	38.963158
"746727"	1282.121758	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+K"	38.963158
"1545499"	453.349358	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+K"	38.963158
"302675"	434.371417	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+H+K"	39.970434
"696190"	641.564517	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+H+K"	39.970434
"1446243"	227.178317	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H+K"	39.970434
"241894"	870.806226	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+ACN+H"	42.033826
"1215700"	456.420026	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+ACN+H"	42.033826
"1199586"	228.713651	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+ACN+2H"	43.041102
"200845"	873.74356	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+2Na-H"	44.97116
"641869"	1288.12976	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+2Na-H"	44.97116
"1145007"	459.35736	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2Na-H"	44.97116
"184289"	437.375418	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+2Na"	45.978436
"623847"	644.568518	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+2Na"	45.978436
"1126995"	230.182318	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2Na"	45.978436
"1411245"	153.790637333333	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H+2Na"	46.985712
"1441541"	461.398946	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H+HCOOH"	47.012746
"233783"	442.40844	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+3H2O+2H"	56.04448
"1517479"	475.45099	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+IsoProp+H"	61.06479
"420079"	445.362388	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+Na+K"	61.952376
"782894"	652.555488	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+Na+K"	61.952376
"1677770"	238.169288	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Na+K"	61.952376
"262104"	892.788168	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+ACN+Na"	64.015768
"1233718"	478.401968	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+ACN+Na"	64.015768
"1721510"	478.425493	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+NH4+HCOOH"	64.039293
"1186862"	161.117951333333	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+3Na"	68.967654
"1660037"	483.380888	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Na+HCOOH"	68.994688
"158515"	905.69144	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+2K-H"	76.91904
"599896"	1320.07764	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+2K-H"	76.91904
"1085862"	491.30524	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2K-H"	76.91904
"142678"	453.349358	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"2M+2K"	77.926316
"587347"	660.542458	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"3M+2K"	77.926316
"1071129"	246.156258	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2K"	77.926316
"1102029"	493.319792	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2K+H"	78.933592
"1338896"	493.407407	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+DMSO+H"	79.021207
"1008157"	497.446576	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2ACN+H"	83.060376
"1530297"	498.440208	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+IsoProp+Na+H"	84.054008
"993468"	249.226926	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+2ACN+2H"	84.067652
"1589067"	499.354828	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+K+HCOOH"	84.968628
"1418008"	529.386338	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+H+CF3COOH"	115.000138
"1153764"	269.740201	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+3ACN+2H"	125.094202
"1707690"	546.412885	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+NH4+CF3COOH"	132.026685
"1643340"	551.36828	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+Na+CF3COOH"	136.98208
"1584457"	567.34222	"C19654"	"gamma-Sitosterol;2223-Dihydroporiferasterol"	"C29H50O"	"414.3862"	"M+K+CF3COOH"	152.95602
"811546"	426.3862	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"985078"	407.36781	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"67854"	283.250190666667	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"504498"	425.378924	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"881936"	141.121457333333	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"2697"	425.378924	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"444445"	638.572024	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"818966"	212.185824	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"81144"	851.765124	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"525082"	1278.151324	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"909448"	425.378924	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"58354"	868.791671	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"500105"	1295.177871	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"877906"	442.405471	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"45445"	873.747066	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"484275"	1300.133266	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"860985"	447.360866	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1631614"	447.360866	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"108141"	443.367263	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"545517"	656.560363	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"935754"	230.174163	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"277228"	887.741802	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"666736"	1314.128002	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1281325"	461.355602	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"26067"	889.721006	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"465625"	1316.107206	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"842335"	463.334806	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1563637"	463.334806	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"948238"	471.384394	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"364631"	897.770601	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"353983"	911.786251	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1501361"	485.400051	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"962704"	493.366351	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"117810"	461.355602	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"555187"	674.548702	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1026175"	248.162502	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1246845"	505.305085	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1313670"	507.361072	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1331901"	529.343029	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"923686"	539.371786	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1302585"	575.348464	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1376007"	391.373524	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1394596"	409.3835	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"287723"	853.779676	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"684518"	1280.165876	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1363053"	427.393476	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"131568"	427.393476	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"572222"	640.586576	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1039925"	214.200376	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"206246"	285.264742666667	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"648482"	427.393476	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1165513"	143.136009333333	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"429881"	870.806223	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"796344"	1297.192423	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1692676"	444.420023	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"340957"	435.9067495	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"735569"	649.0998495	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1487202"	222.7136495	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"403695"	875.761618	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"767970"	1302.147818	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1612787"	449.375418	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"323918"	438.384447	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"715245"	651.577547	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1464690"	225.191347	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1060123"	150.463323333333	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1263988"	459.419686	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"383656"	891.735558	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"743557"	1318.121758	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1541963"	465.349358	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"301691"	446.371417	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"694113"	659.564517	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1446840"	233.178317	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"240910"	894.806226	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1215810"	468.420026	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1198598"	234.713651	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"193660"	897.74356	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"643715"	1324.12976	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1145482"	471.35736	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"186586"	449.375418	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"623957"	662.568518	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1128197"	236.182318	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1412812"	157.790637333333	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1442016"	473.398946	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"233893"	454.40844	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1520866"	487.45099	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"420917"	457.362388	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"780452"	670.555488	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1677880"	244.169288	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"260027"	916.788168	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1236014"	490.401968	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1722713"	490.425493	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1189159"	165.117951333333	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1660147"	495.380888	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"159475"	929.69144	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"604381"	1356.07764	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1085612"	503.30524	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"143521"	465.349358	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"584541"	678.542458	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1070510"	252.156258	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1102257"	505.319792	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1338279"	505.407407	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1008267"	509.446576	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1530407"	510.440208	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"995765"	255.226926	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1590270"	511.354828	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1416657"	541.386338	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1154967"	275.740201	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1707800"	558.412885	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1643450"	563.36828	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584567"	579.34222	"C19655"	"Gorgosterol;Gorgost-5-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"811656"	476.3866	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M"	0
"985188"	457.36821	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-H2O-H"	-19.01839
"69057"	316.583790666667	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M-3H"	-3.021828
"507524"	475.379324	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M-3H"	-3.021828
"885327"	157.788257333333	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-3H"	-3.021828
"1714"	475.379324	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M-2H"	-2.014552
"444555"	713.572624	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M-2H"	-2.014552
"820169"	237.186024	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-2H"	-2.014552
"81254"	951.765924	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M-H"	-1.007276
"524099"	1428.152524	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M-H"	-1.007276
"908466"	475.379324	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-H"	-1.007276
"58464"	968.792471	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M-2H+NH4"	16.019271
"500580"	1445.179071	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M-2H+NH4"	16.019271
"876922"	492.405871	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-2H+NH4"	16.019271
"39354"	973.747866	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M-2H+Na"	20.974666
"481106"	1450.134466	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M-2H+Na"	20.974666
"858909"	497.361266	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-2H+Na"	20.974666
"1631724"	497.361266	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Na-2H"	20.974666
"106067"	493.367663	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M-H+Cl"	33.962126
"543441"	731.560963	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M-H+Cl"	33.962126
"933678"	255.174363	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-H+Cl"	33.962126
"276609"	987.742602	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+Cl"	34.969402
"667937"	1464.129202	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+Cl"	34.969402
"1282163"	511.356002	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Cl"	34.969402
"23993"	989.721806	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M-2H+K"	36.948606
"466829"	1466.108406	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M-2H+K"	36.948606
"844632"	513.335206	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-2H+K"	36.948606
"1561924"	513.335206	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+K-2H"	36.948606
"948713"	521.384794	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-H+HCOOH"	44.998194
"366566"	997.771401	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+HCOOH-H"	44.998201
"352637"	1011.787051	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+Hac-H"	59.013851
"1498190"	535.400451	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Hac-H"	59.013851
"962450"	543.366751	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-H+NaCOOH"	66.980151
"114638"	511.356002	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+2Cl"	69.938804
"555298"	749.549302	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+2Cl"	69.938804
"1026285"	273.162702	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2Cl"	69.938804
"1250237"	555.305485	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Br"	78.918885
"1316696"	557.361472	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Cl+HCOOH"	80.974872
"1334197"	579.343429	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Cl+NaCOOH"	102.956829
"925620"	589.372186	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M-H+CF3COOH"	112.985586
"1303912"	625.348864	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Cl+CF3COOH"	148.962264
"1380492"	441.373924	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H-2H2O"	-35.012676
"1392521"	459.3839	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H-H2O"	-17.0027
"292206"	953.780476	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+H"	1.007276
"685721"	1430.167076	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+H"	1.007276
"1365715"	477.393876	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H"	1.007276
"132772"	477.393876	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+2H"	2.014552
"573425"	715.587176	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+2H"	2.014552
"1044411"	239.200576	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2H"	2.014552
"212312"	318.598342666667	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+3H"	3.021828
"655155"	477.393876	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+3H"	3.021828
"1169998"	159.802809333333	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+3H"	3.021828
"429991"	970.807023	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+NH4"	18.033823
"795361"	1447.193623	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+NH4"	18.033823
"1692788"	494.420423	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+NH4"	18.033823
"342158"	485.9071495	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+H+NH4"	19.041099
"728019"	724.1004495	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+H+NH4"	19.041099
"1485123"	247.7138495	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H+NH4"	19.041099
"399429"	975.762418	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+Na"	22.989218
"763704"	1452.149018	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+Na"	22.989218
"1610706"	499.375818	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Na"	22.989218
"321838"	488.384847	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+H+Na"	23.996494
"715351"	726.578147	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+H+Na"	23.996494
"1473546"	250.191547	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H+Na"	23.996494
"1062418"	167.130123333333	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2H+Na"	25.00377
"1263367"	509.420086	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+CH3OH+H"	33.033486
"380120"	991.736358	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+K"	38.963158
"741845"	1468.122958	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+K"	38.963158
"1540979"	515.349758	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+K"	38.963158
"301802"	496.371817	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+H+K"	39.970434
"692763"	734.565117	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+H+K"	39.970434
"1446951"	258.178517	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H+K"	39.970434
"237735"	994.807026	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+ACN+H"	42.033826
"1212025"	518.420426	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+ACN+H"	42.033826
"1197611"	259.713851	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+ACN+2H"	43.041102
"198146"	997.74436	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+2Na-H"	44.97116
"637707"	1474.13096	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+2Na-H"	44.97116
"1142311"	521.35776	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2Na-H"	44.97116
"185602"	499.375818	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+2Na"	45.978436
"624067"	737.569118	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+2Na"	45.978436
"1128670"	261.182518	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2Na"	45.978436
"1411829"	174.457437333333	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H+2Na"	46.985712
"1439934"	523.399346	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H+HCOOH"	47.012746
"229629"	504.40884	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+3H2O+2H"	56.04448
"1520611"	537.45139	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+IsoProp+H"	61.06479
"421392"	507.362788	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+Na+K"	61.952376
"780562"	745.556088	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+Na+K"	61.952376
"1675800"	269.169488	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Na+K"	61.952376
"263052"	1016.788968	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+ACN+Na"	64.015768
"1237217"	540.402368	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+ACN+Na"	64.015768
"1720635"	540.425893	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+NH4+HCOOH"	64.039293
"1185990"	181.784751333333	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+3Na"	68.967654
"1655885"	545.381288	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Na+HCOOH"	68.994688
"158978"	1029.69224	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+2K-H"	76.91904
"599146"	1506.07884	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+2K-H"	76.91904
"1087182"	553.30564	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2K-H"	76.91904
"143025"	515.349758	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"2M+2K"	77.926316
"583558"	753.543058	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"3M+2K"	77.926316
"1074266"	277.156458	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2K"	77.926316
"1101279"	555.320192	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2K+H"	78.933592
"1337660"	555.407807	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+DMSO+H"	79.021207
"1007045"	559.446976	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2ACN+H"	83.060376
"1526017"	560.440608	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+IsoProp+Na+H"	84.054008
"996967"	280.227126	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+2ACN+2H"	84.067652
"1590379"	561.355228	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+K+HCOOH"	84.968628
"1415184"	591.386738	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+H+CF3COOH"	115.000138
"1153984"	300.740401	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+3ACN+2H"	125.094202
"1700254"	608.413285	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+NH4+CF3COOH"	132.026685
"1646841"	613.36868	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+Na+CF3COOH"	136.98208
"1584677"	629.34262	"C19656"	"Sarcoaldesterol A;(3beta5alpha6beta11alpha)-Gorgostane-35611-tetrol"	"C30H52O4"	"476.3866"	"M+K+CF3COOH"	152.95602
"816751"	426.3862	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M"	0
"987486"	407.36781	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"68075"	283.250190666667	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510915"	425.378924	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"888717"	141.121457333333	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"1824"	425.378924	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"446852"	638.572024	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"820279"	212.185824	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"80271"	851.765124	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"525302"	1278.151324	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"898002"	425.378924	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"53106"	868.791671	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"497045"	1295.177871	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"875575"	442.405471	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"39464"	873.747066	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"482308"	1300.133266	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"859019"	447.360866	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1631470"	447.360866	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"106177"	443.367263	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"543551"	656.560363	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"932694"	230.174163	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"275626"	887.741802	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"668047"	1314.128002	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1283731"	461.355602	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"25925"	889.721006	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"466939"	1316.107206	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"844744"	463.334806	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1562764"	463.334806	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"948458"	471.384394	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"369957"	897.770601	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"353841"	911.786251	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1499394"	485.400051	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"961831"	493.366351	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"116936"	461.355602	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"555408"	674.548702	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1023843"	248.162502	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1253263"	505.305085	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1316806"	507.361072	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1333577"	529.343029	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"926338"	539.371786	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1301713"	575.348464	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1378416"	391.373524	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1393724"	409.3835	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"295597"	853.779676	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"688019"	1280.165876	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1364003"	427.393476	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"135069"	427.393476	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"576815"	640.586576	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1044522"	214.200376	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"210235"	285.264742666667	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"649796"	427.393476	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1166828"	143.136009333333	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"432289"	870.806223	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"798752"	1297.192423	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1692898"	444.420023	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"342269"	435.9067495	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"729226"	649.0998495	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1486328"	222.7136495	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"399539"	875.761618	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"763814"	1302.147818	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1613004"	449.375418	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"324135"	438.384447	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"714369"	651.577547	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1472563"	225.191347	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1059249"	150.463323333333	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1262021"	459.419686	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"377435"	891.735558	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"741591"	1318.121758	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1541090"	465.349358	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"301912"	446.371417	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"693965"	659.564517	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1446693"	233.178317	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"236752"	894.806226	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1212012"	468.420026	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1195288"	234.713651	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"197163"	897.74356	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"634537"	1324.12976	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1140235"	471.35736	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"183527"	449.375418	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"619804"	662.568518	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1125499"	236.182318	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1407929"	157.790637333333	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1436764"	473.398946	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"228645"	454.40844	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1521085"	487.45099	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"421502"	457.362388	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"782860"	670.555488	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1680285"	244.169288	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"262432"	916.788168	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1237327"	490.401968	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1722932"	490.425493	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1190474"	165.117951333333	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1660369"	495.380888	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"162127"	929.69144	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"603509"	1356.07764	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1089115"	503.30524	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"142771"	465.349358	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"584397"	678.542458	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1072189"	252.156258	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1105400"	505.319792	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1337407"	505.407407	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1008127"	509.446576	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1526253"	510.440208	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"995985"	255.226926	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1590490"	511.354828	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1415056"	541.386338	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1156281"	275.740201	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1705831"	558.412885	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1646951"	563.36828	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584787"	579.34222	"C19657"	"Acanthasterol;(3beta5alpha)-Gorgost-7-en-3-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"816732"	344.2715	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M"	0
"989731"	325.25311	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-H2O-H"	-19.01839
"72560"	228.507057333333	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M-3H"	-3.021828
"512119"	343.264224	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M-3H"	-3.021828
"888828"	113.749890666667	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-3H"	-3.021828
"11777"	343.264224	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M-2H"	-2.014552
"449150"	515.399974	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M-2H"	-2.014552
"823671"	171.128474	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-2H"	-2.014552
"84757"	687.535724	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M-H"	-1.007276
"528691"	1031.807224	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M-H"	-1.007276
"906497"	343.264224	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-H"	-1.007276
"55405"	704.562271	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M-2H+NH4"	16.019271
"493871"	1048.833771	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M-2H+NH4"	16.019271
"875688"	360.290771	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-2H+NH4"	16.019271
"42856"	709.517666	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M-2H+Na"	20.974666
"482784"	1053.789166	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M-2H+Na"	20.974666
"858768"	365.246166	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-2H+Na"	20.974666
"1630485"	365.246166	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Na-2H"	20.974666
"103010"	361.252563	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M-H+Cl"	33.962126
"541478"	533.388313	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M-H+Cl"	33.962126
"933169"	189.116813	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-H+Cl"	33.962126
"276830"	723.512402	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+Cl"	34.969402
"673625"	1067.783902	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+Cl"	34.969402
"1284935"	379.240902	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Cl"	34.969402
"28950"	725.491606	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M-2H+K"	36.948606
"468873"	1069.763106	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M-2H+K"	36.948606
"841578"	381.220106	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-2H+K"	36.948606
"1565061"	381.220106	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+K-2H"	36.948606
"954037"	389.269694	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-H+HCOOH"	44.998194
"368976"	733.541201	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+HCOOH-H"	44.998201
"356868"	747.556851	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+Hac-H"	59.013851
"1501695"	403.285351	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Hac-H"	59.013851
"962674"	411.251651	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-H+NaCOOH"	66.980151
"119237"	379.240902	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+2Cl"	69.938804
"553692"	551.376652	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+2Cl"	69.938804
"1026503"	207.105152	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2Cl"	69.938804
"1249363"	423.190385	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Br"	78.918885
"1315094"	425.246372	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Cl+HCOOH"	80.974872
"1330407"	447.228329	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Cl+NaCOOH"	102.956829
"926326"	457.257086	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M-H+CF3COOH"	112.985586
"1303161"	493.233764	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Cl+CF3COOH"	148.962264
"1380350"	309.258824	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H-2H2O"	-35.012676
"1396021"	327.2688	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H-H2O"	-17.0027
"293520"	689.550276	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+H"	1.007276
"688130"	1033.821776	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+H"	1.007276
"1364477"	345.278776	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H"	1.007276
"139553"	345.278776	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+2H"	2.014552
"579114"	517.414526	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+2H"	2.014552
"1050100"	173.143026	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2H"	2.014552
"215813"	230.521609333333	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+3H"	3.021828
"655375"	345.278776	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+3H"	3.021828
"1169124"	115.764442666667	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+3H"	3.021828
"436774"	706.576823	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+NH4"	18.033823
"798865"	1050.848323	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+NH4"	18.033823
"1695560"	362.305323	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+NH4"	18.033823
"342017"	353.7920495	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+H+NH4"	19.041099
"731525"	525.9277995	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+H+NH4"	19.041099
"1487532"	181.6562995	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H+NH4"	19.041099
"404024"	711.532218	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+Na"	22.989218
"766112"	1055.803718	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+Na"	22.989218
"1616395"	367.260718	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Na"	22.989218
"326433"	356.269747	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+H+Na"	23.996494
"716668"	528.405497	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+H+Na"	23.996494
"1469394"	184.133997	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H+Na"	23.996494
"1058267"	123.091756666667	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2H+Na"	25.00377
"1264318"	377.304986	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+CH3OH+H"	33.033486
"379612"	727.506158	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+K"	38.963158
"742795"	1071.777658	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+K"	38.963158
"1543754"	383.234658	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+K"	38.963158
"301293"	364.256717	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+H+K"	39.970434
"693714"	536.392467	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+H+K"	39.970434
"1447659"	192.120967	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H+K"	39.970434
"237960"	730.576826	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+ACN+H"	42.033826
"1211887"	386.305326	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+ACN+H"	42.033826
"1197836"	193.656301	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+ACN+2H"	43.041102
"196180"	733.51416	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+2Na-H"	44.97116
"635740"	1077.78566	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+2Na-H"	44.97116
"1137059"	389.24266	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2Na-H"	44.97116
"186189"	367.260718	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+2Na"	45.978436
"619914"	539.396468	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+2Na"	45.978436
"1128889"	195.124968	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2Na"	45.978436
"1413023"	130.419070666667	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H+2Na"	46.985712
"1443436"	391.284246	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H+HCOOH"	47.012746
"235076"	372.29374	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+3H2O+2H"	56.04448
"1523263"	405.33629	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+IsoProp+H"	61.06479
"423438"	375.247688	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+Na+K"	61.952376
"785405"	547.383438	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+Na+K"	61.952376
"1680400"	203.111938	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Na+K"	61.952376
"265462"	752.558768	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+ACN+Na"	64.015768
"1239994"	408.287268	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+ACN+Na"	64.015768
"1727541"	408.310793	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+NH4+HCOOH"	64.039293
"1193139"	137.746384666667	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+3Na"	68.967654
"1662664"	413.266188	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Na+HCOOH"	68.994688
"169527"	765.46204	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+2K-H"	76.91904
"607993"	1109.73354	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+2K-H"	76.91904
"1093600"	421.19054	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2K-H"	76.91904
"153335"	383.234658	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"2M+2K"	77.926316
"592165"	555.370408	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"3M+2K"	77.926316
"1074491"	211.098908	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2K"	77.926316
"1105512"	423.205092	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2K+H"	78.933592
"1340801"	423.292707	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+DMSO+H"	79.021207
"1010429"	427.331876	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2ACN+H"	83.060376
"1531834"	428.325508	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+IsoProp+Na+H"	84.054008
"996094"	214.169576	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+2ACN+2H"	84.067652
"1590600"	429.240128	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+K+HCOOH"	84.968628
"1418447"	459.271638	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+H+CF3COOH"	115.000138
"1158578"	234.682851	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+3ACN+2H"	125.094202
"1705941"	476.298185	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+NH4+CF3COOH"	132.026685
"1647060"	481.25358	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+Na+CF3COOH"	136.98208
"1584897"	497.22752	"C19658"	"Cardanolide"	"C23H36O2"	"344.2715"	"M+K+CF3COOH"	152.95602
"816919"	330.3287	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M"	0
"985518"	311.31031	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-H2O-H"	-19.01839
"70481"	219.211857333333	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M-3H"	-3.021828
"511134"	329.321424	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M-3H"	-3.021828
"887843"	109.102290666667	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-3H"	-3.021828
"2044"	329.321424	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M-2H"	-2.014552
"447072"	494.485774	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M-2H"	-2.014552
"820499"	164.157074	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-2H"	-2.014552
"80491"	659.650124	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M-H"	-1.007276
"521146"	989.978824	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M-H"	-1.007276
"903327"	329.321424	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-H"	-1.007276
"52235"	676.676671	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M-2H+NH4"	16.019271
"492888"	1007.005371	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M-2H+NH4"	16.019271
"875068"	346.347971	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-2H+NH4"	16.019271
"43695"	681.632066	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M-2H+Na"	20.974666
"482161"	1011.960766	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M-2H+Na"	20.974666
"863249"	351.303366	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-2H+Na"	20.974666
"1630595"	351.303366	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Na-2H"	20.974666
"108586"	347.309763	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M-H+Cl"	33.962126
"545960"	512.474113	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M-H+Cl"	33.962126
"940568"	182.145413	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-H+Cl"	33.962126
"280218"	695.626802	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+Cl"	34.969402
"672639"	1025.955502	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+Cl"	34.969402
"1287476"	365.298102	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Cl"	34.969402
"28695"	697.606006	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M-2H+K"	36.948606
"470686"	1027.934706	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M-2H+K"	36.948606
"844967"	367.277306	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-2H+K"	36.948606
"1566264"	367.277306	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+K-2H"	36.948606
"953054"	375.326894	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-H+HCOOH"	44.998194
"373094"	705.655601	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+HCOOH-H"	44.998201
"356250"	719.671251	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+Hac-H"	59.013851
"1500710"	389.342551	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Hac-H"	59.013851
"963510"	397.308851	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-H+NaCOOH"	66.980151
"116066"	365.298102	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+2Cl"	69.938804
"551976"	530.462452	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+2Cl"	69.938804
"1023696"	200.133752	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2Cl"	69.938804
"1247286"	409.247585	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Br"	78.918885
"1309736"	411.303572	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Cl+HCOOH"	80.974872
"1331610"	433.285529	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Cl+NaCOOH"	102.956829
"921573"	443.314286	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M-H+CF3COOH"	112.985586
"1303517"	479.290964	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Cl+CF3COOH"	148.962264
"1381069"	295.316024	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H-2H2O"	-35.012676
"1397470"	313.326	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H-H2O"	-17.0027
"298004"	661.664676	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+H"	1.007276
"687146"	991.993376	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+H"	1.007276
"1366773"	331.335976	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H"	1.007276
"139663"	331.335976	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+2H"	2.014552
"577035"	496.500326	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+2H"	2.014552
"1049115"	166.171626	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2H"	2.014552
"212642"	221.226409333333	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+3H"	3.021828
"654390"	331.335976	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+3H"	3.021828
"1169232"	111.116842666667	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+3H"	3.021828
"436520"	678.691223	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+NH4"	18.033823
"800799"	1009.019923	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+NH4"	18.033823
"1694939"	348.362523	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+NH4"	18.033823
"343219"	339.8492495	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+H+NH4"	19.041099
"734915"	505.0135995	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+H+NH4"	19.041099
"1485455"	174.6848995	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H+NH4"	19.041099
"404863"	683.646618	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+Na"	22.989218
"767315"	1013.975318	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+Na"	22.989218
"1615412"	353.317918	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Na"	22.989218
"326543"	342.326947	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+H+Na"	23.996494
"718963"	507.491297	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+H+Na"	23.996494
"1472784"	177.162597	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H+Na"	23.996494
"1066030"	118.444156666667	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2H+Na"	25.00377
"1263336"	363.362186	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+CH3OH+H"	33.033486
"380817"	699.620558	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+K"	38.963158
"743997"	1029.949258	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+K"	38.963158
"1546049"	369.291858	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+K"	38.963158
"301039"	350.313917	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+H+K"	39.970434
"694554"	515.478267	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+H+K"	39.970434
"1447284"	185.149567	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H+K"	39.970434
"236612"	702.691226	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+ACN+H"	42.033826
"1211997"	372.362526	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+ACN+H"	42.033826
"1195880"	186.684901	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+ACN+2H"	43.041102
"196654"	705.62856	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+2Na-H"	44.97116
"639130"	1035.95726	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+2Na-H"	44.97116
"1141543"	375.29986	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2Na-H"	44.97116
"184839"	353.317918	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+2Na"	45.978436
"624397"	518.482268	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+2Na"	45.978436
"1125719"	188.153568	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2Na"	45.978436
"1409242"	125.771470666667	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H+2Na"	46.985712
"1443546"	377.341446	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H+HCOOH"	47.012746
"234334"	358.35094	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+3H2O+2H"	56.04448
"1521307"	391.39349	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+IsoProp+H"	61.06479
"422817"	361.304888	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+Na+K"	61.952376
"785150"	526.469238	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+Na+K"	61.952376
"1680873"	196.140538	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Na+K"	61.952376
"265937"	724.673168	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+ACN+Na"	64.015768
"1239740"	394.344468	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+ACN+Na"	64.015768
"1726432"	394.367993	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+NH4+HCOOH"	64.039293
"1193451"	133.098784666667	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+3Na"	68.967654
"1664234"	399.323388	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Na+HCOOH"	68.994688
"167450"	737.57644	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+2K-H"	76.91904
"607009"	1067.90514	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+2K-H"	76.91904
"1094803"	407.24774	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2K-H"	76.91904
"146518"	369.291858	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"2M+2K"	77.926316
"593368"	534.456208	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"3M+2K"	77.926316
"1076784"	204.127508	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2K"	77.926316
"1105621"	409.262292	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2K+H"	78.933592
"1343097"	409.349907	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+DMSO+H"	79.021207
"1009442"	413.389076	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2ACN+H"	83.060376
"1530851"	414.382708	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+IsoProp+Na+H"	84.054008
"994018"	207.198176	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+2ACN+2H"	84.067652
"1590710"	415.297328	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+K+HCOOH"	84.968628
"1415397"	445.328838	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+H+CF3COOH"	115.000138
"1157594"	227.711451	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+3ACN+2H"	125.094202
"1706051"	462.355385	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+NH4+CF3COOH"	132.026685
"1647170"	467.31078	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+Na+CF3COOH"	136.98208
"1585007"	483.28472	"C19659"	"5alpha-Cholane;Allocholane"	"C24H42"	"330.3287"	"M+K+CF3COOH"	152.95602
"815743"	358.2872	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M"	0
"985264"	339.26881	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-H2O-H"	-19.01839
"68405"	237.850857333333	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M-3H"	-3.021828
"506142"	357.279924	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M-3H"	-3.021828
"883580"	118.421790666667	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-3H"	-3.021828
"4341"	357.279924	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M-2H"	-2.014552
"446089"	536.423524	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M-2H"	-2.014552
"819516"	178.136324	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-2H"	-2.014552
"79749"	715.567124	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M-H"	-1.007276
"521256"	1073.854324	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M-H"	-1.007276
"901250"	357.279924	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-H"	-1.007276
"47604"	732.593671	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M-2H+NH4"	16.019271
"492998"	1090.880871	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M-2H+NH4"	16.019271
"873718"	374.306471	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-2H+NH4"	16.019271
"38702"	737.549066	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M-2H+Na"	20.974666
"476075"	1095.836266	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M-2H+Na"	20.974666
"858253"	379.261866	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-2H+Na"	20.974666
"1625598"	379.261866	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Na-2H"	20.974666
"104314"	375.268263	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M-H+Cl"	33.962126
"547163"	554.411863	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M-H+Cl"	33.962126
"937396"	196.124663	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-H+Cl"	33.962126
"279234"	751.543802	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+Cl"	34.969402
"673842"	1109.831002	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+Cl"	34.969402
"1287586"	393.256602	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Cl"	34.969402
"30630"	753.523006	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M-2H+K"	36.948606
"470914"	1111.810206	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M-2H+K"	36.948606
"844712"	395.235806	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-2H+K"	36.948606
"1564187"	395.235806	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+K-2H"	36.948606
"954257"	403.285394	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-H+HCOOH"	44.998194
"371381"	761.572601	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+HCOOH-H"	44.998201
"354169"	775.588251	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+Hac-H"	59.013851
"1501911"	417.301051	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Hac-H"	59.013851
"967263"	425.267351	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-H+NaCOOH"	66.980151
"119089"	393.256602	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+2Cl"	69.938804
"552089"	572.400202	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+2Cl"	69.938804
"1023074"	214.113002	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2Cl"	69.938804
"1242411"	437.206085	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Br"	78.918885
"1310938"	439.262072	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Cl+HCOOH"	80.974872
"1322237"	461.244029	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Cl+NaCOOH"	102.956829
"921681"	471.272786	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M-H+CF3COOH"	112.985586
"1294016"	507.249464	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Cl+CF3COOH"	148.962264
"1373271"	323.274524	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H-2H2O"	-35.012676
"1397946"	341.2845	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H-H2O"	-17.0027
"295928"	717.581676	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+H"	1.007276
"686163"	1075.868876	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+H"	1.007276
"1364697"	359.294476	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H"	1.007276
"139652"	359.294476	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+2H"	2.014552
"579332"	538.438076	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+2H"	2.014552
"1049225"	180.150876	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2H"	2.014552
"214939"	239.865409333333	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+3H"	3.021828
"654500"	359.294476	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+3H"	3.021828
"1169343"	120.436342666667	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+3H"	3.021828
"436994"	734.608223	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+NH4"	18.033823
"800181"	1092.895423	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+NH4"	18.033823
"1694320"	376.321023	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+NH4"	18.033823
"344422"	367.8077495	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+H+NH4"	19.041099
"733568"	546.9513495	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+H+NH4"	19.041099
"1486658"	188.6641495	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H+NH4"	19.041099
"403880"	739.563618	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+Na"	22.989218
"764145"	1097.850818	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+Na"	22.989218
"1611148"	381.276418	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Na"	22.989218
"325559"	370.285447	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+H+Na"	23.996494
"717980"	549.429047	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+H+Na"	23.996494
"1471800"	191.141847	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H+Na"	23.996494
"1063952"	127.763656666667	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2H+Na"	25.00377
"1263446"	391.320686	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+CH3OH+H"	33.033486
"382019"	755.537558	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+K"	38.963158
"741556"	1113.824758	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+K"	38.963158
"1543972"	397.250358	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+K"	38.963158
"304430"	378.272417	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+H+K"	39.970434
"694664"	557.416017	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+H+K"	39.970434
"1447394"	199.128817	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H+K"	39.970434
"236359"	758.608226	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+ACN+H"	42.033826
"1211986"	400.321026	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+ACN+H"	42.033826
"1196962"	200.664151	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+ACN+2H"	43.041102
"198587"	761.54556	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+2Na-H"	44.97116
"635230"	1119.83276	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+2Na-H"	44.97116
"1140561"	403.25836	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2Na-H"	44.97116
"184584"	381.276418	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+2Na"	45.978436
"622322"	560.420018	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+2Na"	45.978436
"1125829"	202.132818	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2Na"	45.978436
"1412268"	135.090970666667	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H+2Na"	46.985712
"1441469"	405.299946	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H+HCOOH"	47.012746
"231164"	386.30944	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+3H2O+2H"	56.04448
"1520323"	419.35199	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+IsoProp+H"	61.06479
"422197"	389.263388	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+Na+K"	61.952376
"782100"	568.406988	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+Na+K"	61.952376
"1680371"	210.119788	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Na+K"	61.952376
"265315"	780.590168	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+ACN+Na"	64.015768
"1240576"	422.302968	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+ACN+Na"	64.015768
"1728244"	422.326493	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+NH4+HCOOH"	64.039293
"1188616"	142.418284666667	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+3Na"	68.967654
"1662883"	427.281888	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Na+HCOOH"	68.994688
"165373"	793.49344	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+2K-H"	76.91904
"609306"	1151.78064	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+2K-H"	76.91904
"1091633"	435.20624	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2K-H"	76.91904
"146264"	397.250358	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"2M+2K"	77.926316
"593478"	576.393958	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"3M+2K"	77.926316
"1073614"	218.106758	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2K"	77.926316
"1105731"	437.220792	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2K+H"	78.933592
"1343207"	437.308407	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+DMSO+H"	79.021207
"1009552"	441.347576	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2ACN+H"	83.060376
"1530961"	442.341208	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+IsoProp+Na+H"	84.054008
"995221"	221.177426	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+2ACN+2H"	84.067652
"1590820"	443.255828	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+K+HCOOH"	84.968628
"1415751"	473.287338	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+H+CF3COOH"	115.000138
"1157704"	241.690701	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+3ACN+2H"	125.094202
"1706161"	490.313885	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+NH4+CF3COOH"	132.026685
"1647280"	495.26928	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+Na+CF3COOH"	136.98208
"1585117"	511.24322	"C19660"	"Bufanolide"	"C24H38O2"	"358.2872"	"M+K+CF3COOH"	152.95602
"815854"	372.3756	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M"	0
"985374"	353.35721	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-H2O-H"	-19.01839
"68515"	247.243124	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M-3H"	-3.021828
"505888"	371.368324	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M-3H"	-3.021828
"884783"	123.117924	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-3H"	-3.021828
"7731"	371.368324	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M-2H"	-2.014552
"445106"	557.556124	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M-2H"	-2.014552
"820719"	185.180524	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-2H"	-2.014552
"83994"	743.743924	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M-H"	-1.007276
"522459"	1116.119524	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M-H"	-1.007276
"895758"	371.368324	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-H"	-1.007276
"48321"	760.770471	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M-2H+NH4"	16.019271
"487223"	1133.146071	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M-2H+NH4"	16.019271
"864393"	388.394871	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-2H+NH4"	16.019271
"31598"	765.725866	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M-2H+Na"	20.974666
"473997"	1138.101466	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M-2H+Na"	20.974666
"853988"	393.350266	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-2H+Na"	20.974666
"1624613"	393.350266	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Na-2H"	20.974666
"103331"	389.356663	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M-H+Cl"	33.962126
"545081"	575.544463	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M-H+Cl"	33.962126
"938598"	203.168863	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-H+Cl"	33.962126
"278249"	779.720602	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+Cl"	34.969402
"670307"	1152.096202	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+Cl"	34.969402
"1288359"	407.345002	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Cl"	34.969402
"29640"	781.699806	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M-2H+K"	36.948606
"471229"	1154.075406	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M-2H+K"	36.948606
"845551"	409.324206	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-2H+K"	36.948606
"1565390"	409.324206	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+K-2H"	36.948606
"954367"	417.373794	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-H+HCOOH"	44.998194
"372584"	789.749401	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+HCOOH-H"	44.998201
"354279"	803.765051	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+Hac-H"	59.013851
"1503114"	431.389451	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Hac-H"	59.013851
"970654"	439.355751	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-H+NaCOOH"	66.980151
"118473"	407.345002	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+2Cl"	69.938804
"550981"	593.532802	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+2Cl"	69.938804
"1022456"	221.157202	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2Cl"	69.938804
"1242037"	451.294485	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Br"	78.918885
"1304646"	453.350472	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Cl+HCOOH"	80.974872
"1322347"	475.332429	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Cl+NaCOOH"	102.956829
"920698"	485.361186	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M-H+CF3COOH"	112.985586
"1294126"	521.337864	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Cl+CF3COOH"	148.962264
"1373381"	337.362924	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H-2H2O"	-35.012676
"1397444"	355.3729	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H-H2O"	-17.0027
"297130"	745.758476	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+H"	1.007276
"690975"	1118.134076	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+H"	1.007276
"1363711"	373.382876	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H"	1.007276
"140941"	373.382876	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+2H"	2.014552
"576162"	559.570676	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+2H"	2.014552
"1050429"	187.195076	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2H"	2.014552
"215049"	249.257676	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+3H"	3.021828
"651330"	373.382876	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+3H"	3.021828
"1171641"	125.132476	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+3H"	3.021828
"437104"	762.785023	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+NH4"	18.033823
"800535"	1135.160623	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+NH4"	18.033823
"1694430"	390.409423	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+NH4"	18.033823
"343076"	381.8961495	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+H+NH4"	19.041099
"735137"	568.0839495	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+H+NH4"	19.041099
"1484582"	195.7083495	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H+NH4"	19.041099
"401074"	767.740418	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+Na"	22.989218
"763161"	1140.116018	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+Na"	22.989218
"1615633"	395.364818	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Na"	22.989218
"324576"	384.373847	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+H+Na"	23.996494
"719184"	570.561647	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+H+Na"	23.996494
"1465714"	198.186047	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H+Na"	23.996494
"1055679"	132.45979	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2H+Na"	25.00377
"1258208"	405.409086	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+CH3OH+H"	33.033486
"382127"	783.714358	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+K"	38.963158
"741666"	1156.089958	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+K"	38.963158
"1542993"	411.338758	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+K"	38.963158
"302354"	392.360817	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+H+K"	39.970434
"694775"	578.548617	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+H+K"	39.970434
"1449690"	206.173017	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H+K"	39.970434
"240481"	786.785026	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+ACN+H"	42.033826
"1215378"	414.409426	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+ACN+H"	42.033826
"1198167"	207.708351	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+ACN+2H"	43.041102
"198697"	789.72236	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+2Na-H"	44.97116
"640812"	1162.09796	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+2Na-H"	44.97116
"1143225"	417.34676	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2Na-H"	44.97116
"182871"	395.364818	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+2Na"	45.978436
"621340"	581.552618	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+2Na"	45.978436
"1125939"	209.177018	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2Na"	45.978436
"1411649"	139.787104	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H+2Na"	46.985712
"1442676"	419.388346	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H+HCOOH"	47.012746
"233465"	400.39784	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+3H2O+2H"	56.04448
"1522621"	433.44039	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+IsoProp+H"	61.06479
"422307"	403.351788	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+Na+K"	61.952376
"783304"	589.539588	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+Na+K"	61.952376
"1679635"	217.163988	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Na+K"	61.952376
"265062"	808.766968	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+ACN+Na"	64.015768
"1238500"	436.391368	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+ACN+Na"	64.015768
"1727626"	436.414893	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+NH4+HCOOH"	64.039293
"1193708"	147.114418	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+3Na"	68.967654
"1664817"	441.370288	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Na+HCOOH"	68.994688
"163661"	821.67024	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+2K-H"	76.91904
"609416"	1194.04584	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+2K-H"	76.91904
"1095023"	449.29464	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2K-H"	76.91904
"144186"	411.338758	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"2M+2K"	77.926316
"590308"	597.526558	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"3M+2K"	77.926316
"1073724"	225.150958	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2K"	77.926316
"1104747"	451.309192	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2K+H"	78.933592
"1342224"	451.396807	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+DMSO+H"	79.021207
"1010757"	455.435976	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2ACN+H"	83.060376
"1529976"	456.429608	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+IsoProp+Na+H"	84.054008
"992047"	228.221626	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+2ACN+2H"	84.067652
"1593114"	457.344228	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+K+HCOOH"	84.968628
"1418773"	487.375738	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+H+CF3COOH"	115.000138
"1155624"	248.734901	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+3ACN+2H"	125.094202
"1706269"	504.402285	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+NH4+CF3COOH"	132.026685
"1644108"	509.35768	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+Na+CF3COOH"	136.98208
"1585227"	525.33162	"C19661"	"Cholestane"	"C27H48"	"372.3756"	"M+K+CF3COOH"	152.95602
"816693"	400.3341	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M"	0
"984755"	381.31571	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-H2O-H"	-19.01839
"68626"	265.882124	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M-3H"	-3.021828
"511465"	399.326824	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M-3H"	-3.021828
"887081"	132.437424	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-3H"	-3.021828
"7841"	399.326824	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M-2H"	-2.014552
"444123"	599.493874	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M-2H"	-2.014552
"820829"	199.159774	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-2H"	-2.014552
"85197"	799.660924	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M-H"	-1.007276
"523662"	1199.995024	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M-H"	-1.007276
"896475"	399.326824	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-H"	-1.007276
"48189"	816.687471	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M-2H+NH4"	16.019271
"487496"	1217.021571	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M-2H+NH4"	16.019271
"865669"	416.353371	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-2H+NH4"	16.019271
"32113"	821.642866	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M-2H+Na"	20.974666
"472162"	1221.976966	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M-2H+Na"	20.974666
"848703"	421.308766	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-2H+Na"	20.974666
"1619048"	421.308766	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Na-2H"	20.974666
"101253"	417.315163	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M-H+Cl"	33.962126
"545189"	617.482213	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M-H+Cl"	33.962126
"936518"	217.148113	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-H+Cl"	33.962126
"273979"	835.637602	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+Cl"	34.969402
"666405"	1235.971702	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+Cl"	34.969402
"1283184"	435.303502	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Cl"	34.969402
"25376"	837.616806	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M-2H+K"	36.948606
"467124"	1237.950906	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M-2H+K"	36.948606
"846386"	437.282706	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-2H+K"	36.948606
"1566593"	437.282706	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+K-2H"	36.948606
"953381"	445.332294	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-H+HCOOH"	44.998194
"373786"	845.666401	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+HCOOH-H"	44.998201
"354389"	859.682051	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+Hac-H"	59.013851
"1504315"	459.347951	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Hac-H"	59.013851
"969671"	467.314251	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-H+NaCOOH"	66.980151
"121495"	435.303502	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+2Cl"	69.938804
"553767"	635.470552	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+2Cl"	69.938804
"1021710"	235.136452	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2Cl"	69.938804
"1242626"	479.252985	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Br"	78.918885
"1304831"	481.308972	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Cl+HCOOH"	80.974872
"1323186"	503.290929	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Cl+NaCOOH"	102.956829
"916433"	513.319686	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M-H+CF3COOH"	112.985586
"1294236"	549.296364	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Cl+CF3COOH"	148.962264
"1376772"	365.321424	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H-2H2O"	-35.012676
"1395732"	383.3314	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H-H2O"	-17.0027
"296146"	801.675476	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+H"	1.007276
"688566"	1202.009576	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+H"	1.007276
"1363822"	401.341376	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H"	1.007276
"139992"	401.341376	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+2H"	2.014552
"575179"	601.508426	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+2H"	2.014552
"1052129"	201.174326	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2H"	2.014552
"211877"	267.896676	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+3H"	3.021828
"651439"	401.341376	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+3H"	3.021828
"1171749"	134.451976	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+3H"	3.021828
"439039"	818.702023	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+NH4"	18.033823
"800402"	1219.036123	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+NH4"	18.033823
"1694540"	418.367923	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+NH4"	18.033823
"343550"	409.8546495	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+H+NH4"	19.041099
"736338"	610.0216995	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+H+NH4"	19.041099
"1485785"	209.6875995	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H+NH4"	19.041099
"401184"	823.657418	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+Na"	22.989218
"763270"	1223.991518	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+Na"	22.989218
"1613556"	423.323318	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Na"	22.989218
"323592"	412.332347	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+H+Na"	23.996494
"719292"	612.499397	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+H+Na"	23.996494
"1468739"	212.165297	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H+Na"	23.996494
"1060890"	141.77929	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2H+Na"	25.00377
"1261477"	433.367586	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+CH3OH+H"	33.033486
"383331"	839.631358	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+K"	38.963158
"742142"	1239.965458	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+K"	38.963158
"1547475"	439.297258	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+K"	38.963158
"303556"	420.319317	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+H+K"	39.970434
"695978"	620.486367	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+H+K"	39.970434
"1449796"	220.152267	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H+K"	39.970434
"238404"	842.702026	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+ACN+H"	42.033826
"1215488"	442.367926	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+ACN+H"	42.033826
"1198277"	221.687601	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+ACN+2H"	43.041102
"198807"	845.63936	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+2Na-H"	44.97116
"640923"	1245.97346	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+2Na-H"	44.97116
"1142607"	445.30526	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2Na-H"	44.97116
"184075"	423.323318	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+2Na"	45.978436
"620357"	623.490368	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+2Na"	45.978436
"1124956"	223.156268	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2Na"	45.978436
"1409573"	149.106604	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H+2Na"	46.985712
"1444488"	447.346846	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H+HCOOH"	47.012746
"233576"	428.35634	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+3H2O+2H"	56.04448
"1521639"	461.39889	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+IsoProp+H"	61.06479
"421324"	431.310288	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+Na+K"	61.952376
"783050"	631.477338	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+Na+K"	61.952376
"1678652"	231.143238	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Na+K"	61.952376
"264079"	864.683968	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+ACN+Na"	64.015768
"1235695"	464.349868	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+ACN+Na"	64.015768
"1724577"	464.373393	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+NH4+HCOOH"	64.039293
"1192483"	156.433918	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+3Na"	68.967654
"1663469"	469.328788	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Na+HCOOH"	68.994688
"166687"	877.58724	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+2K-H"	76.91904
"609162"	1277.92134	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+2K-H"	76.91904
"1095133"	477.25314	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2K-H"	76.91904
"143932"	439.297258	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"2M+2K"	77.926316
"590418"	639.464308	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"3M+2K"	77.926316
"1073834"	239.130208	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2K"	77.926316
"1102671"	479.267692	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2K+H"	78.933592
"1337961"	479.355307	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+DMSO+H"	79.021207
"1008681"	483.394476	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2ACN+H"	83.060376
"1530087"	484.388108	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+IsoProp+Na+H"	84.054008
"990334"	242.200876	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+2ACN+2H"	84.067652
"1592131"	485.302728	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+K+HCOOH"	84.968628
"1418883"	515.334238	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+H+CF3COOH"	115.000138
"1155734"	262.714151	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+3ACN+2H"	125.094202
"1706379"	532.360785	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+NH4+CF3COOH"	132.026685
"1644218"	537.31618	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+Na+CF3COOH"	136.98208
"1585337"	553.29012	"C19662"	"Spirostan"	"C27H44O2"	"400.3341"	"M+K+CF3COOH"	152.95602
"813886"	386.3549	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M"	0
"987052"	367.33651	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-H2O-H"	-19.01839
"68736"	256.562657333333	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M-3H"	-3.021828
"508295"	385.347624	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M-3H"	-3.021828
"890471"	127.777690666667	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-3H"	-3.021828
"11232"	385.347624	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M-2H"	-2.014552
"443139"	578.525074	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M-2H"	-2.014552
"819846"	192.170174	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-2H"	-2.014552
"85307"	771.702524	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M-H"	-1.007276
"523774"	1158.057424	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M-H"	-1.007276
"896960"	385.347624	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-H"	-1.007276
"47443"	788.729071	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M-2H+NH4"	16.019271
"487411"	1175.083971	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M-2H+NH4"	16.019271
"865779"	402.374171	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-2H+NH4"	16.019271
"32221"	793.684466	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M-2H+Na"	20.974666
"471901"	1180.039366	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M-2H+Na"	20.974666
"849218"	407.329566	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-2H+Na"	20.974666
"1619358"	407.329566	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Na-2H"	20.974666
"102457"	403.335963	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M-H+Cl"	33.962126
"540925"	596.513413	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M-H+Cl"	33.962126
"929337"	210.158513	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-H+Cl"	33.962126
"267648"	807.679202	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+Cl"	34.969402
"667607"	1194.034102	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+Cl"	34.969402
"1280742"	421.324302	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Cl"	34.969402
"26580"	809.658406	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M-2H+K"	36.948606
"466139"	1196.013306	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M-2H+K"	36.948606
"847957"	423.303506	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-2H+K"	36.948606
"1568525"	423.303506	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+K-2H"	36.948606
"953491"	431.353094	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-H+HCOOH"	44.998194
"372074"	817.708001	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+HCOOH-H"	44.998201
"354863"	831.723651	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+Hac-H"	59.013851
"1502968"	445.368751	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Hac-H"	59.013851
"970149"	453.335051	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-H+NaCOOH"	66.980151
"118694"	421.324302	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+2Cl"	69.938804
"553511"	614.501752	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+2Cl"	69.938804
"1022311"	228.146852	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2Cl"	69.938804
"1242130"	465.273785	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Br"	78.918885
"1305065"	467.329772	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Cl+HCOOH"	80.974872
"1321837"	489.311729	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Cl+NaCOOH"	102.956829
"918730"	499.340486	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M-H+CF3COOH"	112.985586
"1295439"	535.317164	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Cl+CF3COOH"	148.962264
"1376881"	351.342224	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H-2H2O"	-35.012676
"1397300"	369.3522	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H-H2O"	-17.0027
"292975"	773.717076	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+H"	1.007276
"689770"	1160.071976	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+H"	1.007276
"1366485"	387.362176	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H"	1.007276
"140715"	387.362176	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+2H"	2.014552
"580760"	580.539626	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+2H"	2.014552
"1052230"	194.184726	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2H"	2.014552
"219404"	258.577209333333	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+3H"	3.021828
"658599"	387.362176	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+3H"	3.021828
"1178268"	129.792242666667	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+3H"	3.021828
"439934"	790.743623	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+NH4"	18.033823
"800753"	1177.098523	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+NH4"	18.033823
"1696841"	404.388723	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+NH4"	18.033823
"344021"	395.8754495	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+H+NH4"	19.041099
"733167"	589.0528995	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+H+NH4"	19.041099
"1484801"	202.6979995	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H+NH4"	19.041099
"399106"	795.699018	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+Na"	22.989218
"761194"	1182.053918	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+Na"	22.989218
"1606375"	409.344118	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Na"	22.989218
"318234"	398.353147	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+H+Na"	23.996494
"708467"	591.530597	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+H+Na"	23.996494
"1464840"	205.175697	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H+Na"	23.996494
"1054439"	137.119556666667	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2H+Na"	25.00377
"1258670"	419.388386	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+CH3OH+H"	33.033486
"379066"	811.672958	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+K"	38.963158
"741157"	1198.027858	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+K"	38.963158
"1543211"	425.318058	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+K"	38.963158
"302573"	406.340117	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+H+K"	39.970434
"697182"	599.517567	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+H+K"	39.970434
"1448085"	213.162667	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H+K"	39.970434
"239607"	814.743626	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+ACN+H"	42.033826
"1214504"	428.388726	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+ACN+H"	42.033826
"1197657"	214.698001	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+ACN+2H"	43.041102
"196730"	817.68096	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+2Na-H"	44.97116
"636293"	1204.03586	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+2Na-H"	44.97116
"1140161"	431.32606	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2Na-H"	44.97116
"182728"	409.344118	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+2Na"	45.978436
"623748"	602.521568	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+2Na"	45.978436
"1128348"	216.166668	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2Na"	45.978436
"1410777"	144.446870666667	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H+2Na"	46.985712
"1442896"	433.367646	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H+HCOOH"	47.012746
"232590"	414.37714	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+3H2O+2H"	56.04448
"1519561"	447.41969	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+IsoProp+H"	61.06479
"422528"	417.331088	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+Na+K"	61.952376
"782428"	610.508538	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+Na+K"	61.952376
"1676572"	224.153638	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Na+K"	61.952376
"263094"	836.725568	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+ACN+Na"	64.015768
"1236896"	450.370668	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+ACN+Na"	64.015768
"1722500"	450.394193	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+NH4+HCOOH"	64.039293
"1186761"	151.774184666667	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+3Na"	68.967654
"1654467"	455.349588	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Na+HCOOH"	68.994688
"165704"	849.62884	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+2K-H"	76.91904
"604170"	1235.98374	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+2K-H"	76.91904
"1089048"	463.27394	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2K-H"	76.91904
"141607"	425.318058	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"2M+2K"	77.926316
"587248"	618.495508	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"3M+2K"	77.926316
"1070664"	232.140608	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2K"	77.926316
"1100956"	465.288492	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2K+H"	78.933592
"1336247"	465.376107	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+DMSO+H"	79.021207
"1010979"	469.415276	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2ACN+H"	83.060376
"1529102"	470.408908	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+IsoProp+Na+H"	84.054008
"990687"	235.211276	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+2ACN+2H"	84.067652
"1593334"	471.323528	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+K+HCOOH"	84.968628
"1417899"	501.355038	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+H+CF3COOH"	115.000138
"1155844"	255.724551	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+3ACN+2H"	125.094202
"1703209"	518.381585	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+NH4+CF3COOH"	132.026685
"1637767"	523.33698	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+Na+CF3COOH"	136.98208
"1585447"	539.31092	"C19663"	"Furostan"	"C27H46O"	"386.3549"	"M+K+CF3COOH"	152.95602
"814725"	386.3913	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M"	0
"987163"	367.37291	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-H2O-H"	-19.01839
"72127"	256.586924	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M-3H"	-3.021828
"512780"	385.384024	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M-3H"	-3.021828
"887302"	127.789824	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-3H"	-3.021828
"12437"	385.384024	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M-2H"	-2.014552
"447623"	578.579674	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M-2H"	-2.014552
"824330"	192.188374	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-2H"	-2.014552
"85417"	771.775324	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M-H"	-1.007276
"526071"	1158.166624	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M-H"	-1.007276
"896095"	385.384024	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-H"	-1.007276
"47793"	788.801871	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M-2H+NH4"	16.019271
"487844"	1175.193171	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M-2H+NH4"	16.019271
"866129"	402.410571	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-2H+NH4"	16.019271
"33420"	793.757266	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M-2H+Na"	20.974666
"472497"	1180.148566	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M-2H+Na"	20.974666
"849127"	407.365966	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-2H+Na"	20.974666
"1621661"	407.365966	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Na-2H"	20.974666
"99286"	403.372363	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M-H+Cl"	33.962126
"538848"	596.568013	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M-H+Cl"	33.962126
"930177"	210.176713	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-H+Cl"	33.962126
"270919"	807.752002	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+Cl"	34.969402
"665530"	1194.143302	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+Cl"	34.969402
"1281216"	421.360702	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Cl"	34.969402
"20490"	809.731206	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M-2H+K"	36.948606
"468073"	1196.122506	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M-2H+K"	36.948606
"848069"	423.339906	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-2H+K"	36.948606
"1570826"	423.339906	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+K-2H"	36.948606
"955426"	431.389494	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-H+HCOOH"	44.998194
"375102"	817.780801	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+HCOOH-H"	44.998201
"354244"	831.796451	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+Hac-H"	59.013851
"1503446"	445.405151	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Hac-H"	59.013851
"969894"	453.371451	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-H+NaCOOH"	66.980151
"120990"	421.360702	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+2Cl"	69.938804
"551070"	614.556352	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+2Cl"	69.938804
"1022054"	228.165052	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2Cl"	69.938804
"1242482"	465.310185	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Br"	78.918885
"1305050"	467.366172	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Cl+HCOOH"	80.974872
"1320367"	489.348129	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Cl+NaCOOH"	102.956829
"916653"	499.376886	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M-H+CF3COOH"	112.985586
"1294456"	535.353564	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Cl+CF3COOH"	148.962264
"1376991"	351.378624	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H-2H2O"	-35.012676
"1396315"	369.3886	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H-H2O"	-17.0027
"293085"	773.789876	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+H"	1.007276
"686599"	1160.181176	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+H"	1.007276
"1365134"	387.398576	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H"	1.007276
"140981"	387.398576	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+2H"	2.014552
"576491"	580.594226	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+2H"	2.014552
"1050757"	194.202926	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2H"	2.014552
"216475"	258.601476	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+3H"	3.021828
"654941"	387.398576	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+3H"	3.021828
"1175254"	129.804376	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+3H"	3.021828
"437433"	790.816423	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+NH4"	18.033823
"799159"	1177.207723	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+NH4"	18.033823
"1696098"	404.425123	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+NH4"	18.033823
"342674"	395.9118495	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+H+NH4"	19.041099
"732185"	589.1074995	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+H+NH4"	19.041099
"1482723"	202.7161995	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H+NH4"	19.041099
"399216"	795.771818	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+Na"	22.989218
"759117"	1182.163118	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+Na"	22.989218
"1607215"	409.380518	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Na"	22.989218
"319438"	398.389547	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+H+Na"	23.996494
"712952"	591.585197	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+H+Na"	23.996494
"1465679"	205.193897	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H+Na"	23.996494
"1053454"	137.13169	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2H+Na"	25.00377
"1257443"	419.424786	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+CH3OH+H"	33.033486
"379299"	811.745758	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+K"	38.963158
"739444"	1198.137058	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+K"	38.963158
"1542228"	425.354458	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+K"	38.963158
"303778"	406.376517	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+H+K"	39.970434
"696200"	599.572167	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+H+K"	39.970434
"1448559"	213.180867	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H+K"	39.970434
"240811"	814.816426	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+ACN+H"	42.033826
"1215710"	428.425126	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+ACN+H"	42.033826
"1199590"	214.716201	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+ACN+2H"	43.041102
"196840"	817.75376	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+2Na-H"	44.97116
"638591"	1204.14506	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+2Na-H"	44.97116
"1141000"	431.36246	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2Na-H"	44.97116
"183200"	409.380518	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+2Na"	45.978436
"623857"	602.576168	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+2Na"	45.978436
"1128458"	216.184868	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2Na"	45.978436
"1409794"	144.459004	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H+2Na"	46.985712
"1443615"	433.404046	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H+HCOOH"	47.012746
"232701"	414.41354	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+3H2O+2H"	56.04448
"1517484"	447.45609	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+IsoProp+H"	61.06479
"422396"	417.367488	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+Na+K"	61.952376
"780351"	610.563138	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+Na+K"	61.952376
"1677775"	224.171838	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Na+K"	61.952376
"264297"	836.798368	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+ACN+Na"	64.015768
"1238828"	450.407068	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+ACN+Na"	64.015768
"1724798"	450.430593	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+NH4+HCOOH"	64.039293
"1191976"	151.786318	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+3Na"	68.967654
"1661506"	455.385988	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Na+HCOOH"	68.994688
"168002"	849.70164	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+2K-H"	76.91904
"606468"	1236.09294	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+2K-H"	76.91904
"1086243"	463.31034	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2K-H"	76.91904
"143788"	425.354458	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"2M+2K"	77.926316
"587359"	618.550108	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"3M+2K"	77.926316
"1072961"	232.158808	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2K"	77.926316
"1103985"	465.324892	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2K+H"	78.933592
"1336357"	465.412507	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+DMSO+H"	79.021207
"1007808"	469.451676	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2ACN+H"	83.060376
"1527025"	470.445308	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+IsoProp+Na+H"	84.054008
"991403"	235.229476	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+2ACN+2H"	84.067652
"1590163"	471.359928	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+K+HCOOH"	84.968628
"1419103"	501.391438	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+H+CF3COOH"	115.000138
"1155954"	255.742751	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+3ACN+2H"	125.094202
"1698944"	518.417985	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+NH4+CF3COOH"	132.026685
"1636053"	523.37338	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+Na+CF3COOH"	136.98208
"1585557"	539.34732	"C19664"	"Ergostane"	"C28H50"	"386.3913"	"M+K+CF3COOH"	152.95602
"815565"	386.3913	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M"	0
"988734"	367.37291	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-H2O-H"	-19.01839
"74424"	256.586924	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M-3H"	-3.021828
"516170"	385.384024	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M-3H"	-3.021828
"890692"	127.789824	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-3H"	-3.021828
"11454"	385.384024	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M-2H"	-2.014552
"446640"	578.579674	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M-2H"	-2.014552
"823347"	192.188374	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-2H"	-2.014552
"88807"	771.775324	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M-H"	-1.007276
"526181"	1158.166624	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M-H"	-1.007276
"898519"	385.384024	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-H"	-1.007276
"48273"	788.801871	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M-2H+NH4"	16.019271
"487955"	1175.193171	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M-2H+NH4"	16.019271
"865876"	402.410571	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-2H+NH4"	16.019271
"33780"	793.757266	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M-2H+Na"	20.974666
"472610"	1180.148566	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M-2H+Na"	20.974666
"849926"	407.365966	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-2H+Na"	20.974666
"1619339"	407.365966	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Na-2H"	20.974666
"98303"	403.372363	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M-H+Cl"	33.962126
"536042"	596.568013	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M-H+Cl"	33.962126
"930287"	210.176713	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-H+Cl"	33.962126
"272123"	807.752002	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+Cl"	34.969402
"665275"	1194.143302	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+Cl"	34.969402
"1276951"	421.360702	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Cl"	34.969402
"21328"	809.731206	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M-2H+K"	36.948606
"467818"	1196.122506	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M-2H+K"	36.948606
"847774"	423.339906	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-2H+K"	36.948606
"1570736"	423.339906	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+K-2H"	36.948606
"955536"	431.389494	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-H+HCOOH"	44.998194
"375212"	817.780801	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+HCOOH-H"	44.998201
"354718"	831.796451	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+Hac-H"	59.013851
"1506105"	445.405151	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Hac-H"	59.013851
"967817"	453.371451	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-H+NaCOOH"	66.980151
"121828"	421.360702	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+2Cl"	69.938804
"556285"	614.556352	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+2Cl"	69.938804
"1022286"	228.165052	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2Cl"	69.938804
"1241864"	465.310185	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Br"	78.918885
"1304916"	467.366172	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Cl+HCOOH"	80.974872
"1320597"	489.348129	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Cl+NaCOOH"	102.956829
"914576"	499.376886	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M-H+CF3COOH"	112.985586
"1294566"	535.353564	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Cl+CF3COOH"	148.962264
"1377101"	351.378624	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H-2H2O"	-35.012676
"1395696"	369.3886	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H-H2O"	-17.0027
"293195"	773.789876	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+H"	1.007276
"688896"	1160.181176	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+H"	1.007276
"1366219"	387.398576	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H"	1.007276
"139958"	387.398576	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+2H"	2.014552
"579883"	580.594226	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+2H"	2.014552
"1052412"	194.202926	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2H"	2.014552
"219421"	258.601476	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+3H"	3.021828
"659346"	387.398576	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+3H"	3.021828
"1177636"	129.804376	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+3H"	3.021828
"437546"	790.816423	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+NH4"	18.033823
"798907"	1177.207723	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+NH4"	18.033823
"1695603"	404.425123	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+NH4"	18.033823
"344932"	395.9118495	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+H+NH4"	19.041099
"734480"	589.1074995	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+H+NH4"	19.041099
"1482835"	202.7161995	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H+NH4"	19.041099
"398233"	795.771818	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+Na"	22.989218
"759227"	1182.163118	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+Na"	22.989218
"1608419"	409.380518	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Na"	22.989218
"321735"	398.389547	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+H+Na"	23.996494
"713063"	591.585197	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+H+Na"	23.996494
"1465790"	205.193897	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H+Na"	23.996494
"1059034"	137.13169	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2H+Na"	25.00377
"1258891"	419.424786	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+CH3OH+H"	33.033486
"380382"	811.745758	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+K"	38.963158
"739434"	1198.137058	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+K"	38.963158
"1540188"	425.354458	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+K"	38.963158
"302795"	406.376517	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+H+K"	39.970434
"697404"	599.572167	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+H+K"	39.970434
"1449035"	213.180867	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H+K"	39.970434
"244201"	814.816426	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+ACN+H"	42.033826
"1213632"	428.425126	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+ACN+H"	42.033826
"1198607"	214.716201	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+ACN+2H"	43.041102
"196950"	817.75376	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+2Na-H"	44.97116
"639429"	1204.14506	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+2Na-H"	44.97116
"1142203"	431.36246	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2Na-H"	44.97116
"184402"	409.380518	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+2Na"	45.978436
"621780"	602.576168	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+2Na"	45.978436
"1125286"	216.184868	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2Na"	45.978436
"1406622"	144.459004	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H+2Na"	46.985712
"1443114"	433.404046	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H+HCOOH"	47.012746
"231352"	414.41354	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+3H2O+2H"	56.04448
"1515405"	447.45609	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+IsoProp+H"	61.06479
"418373"	417.367488	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+Na+K"	61.952376
"781555"	610.563138	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+Na+K"	61.952376
"1677885"	224.171838	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Na+K"	61.952376
"265500"	836.798368	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+ACN+Na"	64.015768
"1237120"	450.407068	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+ACN+Na"	64.015768
"1725638"	450.430593	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+NH4+HCOOH"	64.039293
"1192084"	151.786318	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+3Na"	68.967654
"1661249"	455.385988	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Na+HCOOH"	68.994688
"168111"	849.70164	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+2K-H"	76.91904
"601110"	1236.09294	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+2K-H"	76.91904
"1095464"	463.31034	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2K-H"	76.91904
"146814"	425.354458	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"2M+2K"	77.926316
"590749"	618.550108	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"3M+2K"	77.926316
"1073071"	232.158808	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2K"	77.926316
"1104095"	465.324892	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2K+H"	78.933592
"1338650"	465.412507	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+DMSO+H"	79.021207
"1008039"	469.451676	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2ACN+H"	83.060376
"1525433"	470.445308	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+IsoProp+Na+H"	84.054008
"991877"	235.229476	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+2ACN+2H"	84.067652
"1590274"	471.359928	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+K+HCOOH"	84.968628
"1419213"	501.391438	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+H+CF3COOH"	115.000138
"1156064"	255.742751	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+3ACN+2H"	125.094202
"1700148"	518.417985	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+NH4+CF3COOH"	132.026685
"1635799"	523.37338	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+Na+CF3COOH"	136.98208
"1585667"	539.34732	"C19665"	"5alpha-Campestane;(24R)-24-Methyl-5alpha-cholestane"	"C28H50"	"386.3913"	"M+K+CF3COOH"	152.95602
"815918"	400.4069	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M"	0
"989451"	381.38851	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-H2O-H"	-19.01839
"77938"	265.930657333333	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M-3H"	-3.021828
"516280"	399.399624	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M-3H"	-3.021828
"892990"	132.461690666667	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-3H"	-3.021828
"11565"	399.399624	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M-2H"	-2.014552
"452217"	599.603074	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M-2H"	-2.014552
"826738"	199.196174	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-2H"	-2.014552
"88917"	799.806524	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M-H"	-1.007276
"527387"	1200.213424	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M-H"	-1.007276
"895743"	399.399624	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-H"	-1.007276
"47411"	816.833071	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M-2H+NH4"	16.019271
"488191"	1217.239971	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M-2H+NH4"	16.019271
"864408"	416.426171	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-2H+NH4"	16.019271
"31698"	821.788466	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M-2H+Na"	20.974666
"471994"	1222.195366	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M-2H+Na"	20.974666
"849797"	421.381566	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-2H+Na"	20.974666
"1619695"	421.381566	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Na-2H"	20.974666
"96225"	417.387963	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M-H+Cl"	33.962126
"535788"	617.591413	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M-H+Cl"	33.962126
"928208"	217.184513	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-H+Cl"	33.962126
"270044"	835.783202	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+Cl"	34.969402
"663198"	1236.190102	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+Cl"	34.969402
"1278154"	435.376302	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Cl"	34.969402
"21802"	837.762406	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M-2H+K"	36.948606
"465741"	1238.169306	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M-2H+K"	36.948606
"847681"	437.355506	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-2H+K"	36.948606
"1568128"	437.355506	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+K-2H"	36.948606
"951636"	445.405094	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-H+HCOOH"	44.998194
"374227"	845.812001	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+HCOOH-H"	44.998201
"350455"	859.827651	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+Hac-H"	59.013851
"1505850"	459.420751	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Hac-H"	59.013851
"970111"	467.387051	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-H+NaCOOH"	66.980151
"120115"	435.376302	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+2Cl"	69.938804
"552022"	635.579752	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+2Cl"	69.938804
"1029569"	235.172852	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2Cl"	69.938804
"1241409"	479.325785	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Br"	78.918885
"1305036"	481.381772	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Cl+HCOOH"	80.974872
"1321803"	503.363729	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Cl+NaCOOH"	102.956829
"914684"	513.392486	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M-H+CF3COOH"	112.985586
"1302331"	549.369164	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Cl+CF3COOH"	148.962264
"1381586"	365.394224	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H-2H2O"	-35.012676
"1396899"	383.4042	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H-H2O"	-17.0027
"293301"	801.821076	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+H"	1.007276
"686816"	1202.227976	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+H"	1.007276
"1364988"	401.414176	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H"	1.007276
"141312"	401.414176	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+2H"	2.014552
"581251"	601.617626	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+2H"	2.014552
"1052564"	201.210726	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2H"	2.014552
"219124"	267.945209333333	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+3H"	3.021828
"658440"	401.414176	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+3H"	3.021828
"1175474"	134.476242666667	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+3H"	3.021828
"438382"	818.847623	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+NH4"	18.033823
"800475"	1219.254523	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+NH4"	18.033823
"1696886"	418.440723	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+NH4"	18.033823
"345325"	409.9274495	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+H+NH4"	19.041099
"731310"	610.1308995	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+H+NH4"	19.041099
"1485132"	209.7239995	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H+NH4"	19.041099
"399438"	823.803018	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+Na"	22.989218
"757153"	1224.209918	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+Na"	22.989218
"1603061"	423.396118	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Na"	22.989218
"315652"	412.405147	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+H+Na"	23.996494
"710987"	612.608597	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+H+Na"	23.996494
"1463712"	212.201697	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H+Na"	23.996494
"1054773"	141.803556666667	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2H+Na"	25.00377
"1258273"	433.440386	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+CH3OH+H"	33.033486
"378673"	839.776958	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+K"	38.963158
"742583"	1240.183858	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+K"	38.963158
"1543543"	439.370058	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+K"	38.963158
"303999"	420.392117	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+H+K"	39.970434
"698607"	620.595567	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+H+K"	39.970434
"1449145"	220.188667	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H+K"	39.970434
"238840"	842.847626	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+ACN+H"	42.033826
"1215929"	442.440726	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+ACN+H"	42.033826
"1198718"	221.724001	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+ACN+2H"	43.041102
"197060"	845.78496	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+2Na-H"	44.97116
"638809"	1246.19186	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+2Na-H"	44.97116
"1141220"	445.37806	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2Na-H"	44.97116
"184150"	423.396118	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+2Na"	45.978436
"623709"	623.599568	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+2Na"	45.978436
"1126490"	223.192668	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2Na"	45.978436
"1410014"	149.130870666667	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H+2Na"	46.985712
"1442133"	447.419646	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H+HCOOH"	47.012746
"231827"	428.42914	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+3H2O+2H"	56.04448
"1514423"	461.47169	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+IsoProp+H"	61.06479
"423589"	431.383088	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+Na+K"	61.952376
"783852"	631.586538	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+Na+K"	61.952376
"1681036"	231.179638	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Na+K"	61.952376
"266909"	864.829568	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+ACN+Na"	64.015768
"1238686"	464.422668	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+ACN+Na"	64.015768
"1726843"	464.446193	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+NH4+HCOOH"	64.039293
"1192925"	156.458184666667	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+3Na"	68.967654
"1662455"	469.401588	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Na+HCOOH"	68.994688
"169680"	877.73284	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+2K-H"	76.91904
"604500"	1278.13974	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+2K-H"	76.91904
"1097761"	477.32594	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2K-H"	76.91904
"150204"	439.370058	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"2M+2K"	77.926316
"590859"	639.573508	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"3M+2K"	77.926316
"1070146"	239.166608	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2K"	77.926316
"1101288"	479.340492	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2K+H"	78.933592
"1343869"	479.428107	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+DMSO+H"	79.021207
"1010215"	483.467276	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2ACN+H"	83.060376
"1529434"	484.460908	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+IsoProp+Na+H"	84.054008
"995880"	242.237276	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+2ACN+2H"	84.067652
"1596946"	485.375528	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+K+HCOOH"	84.968628
"1422605"	515.407038	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+H+CF3COOH"	115.000138
"1159091"	262.750551	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+3ACN+2H"	125.094202
"1706819"	532.433585	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+NH4+CF3COOH"	132.026685
"1638096"	537.38898	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+Na+CF3COOH"	136.98208
"1585777"	553.36292	"C19666"	"Stigmastane"	"C29H52"	"400.4069"	"M+K+CF3COOH"	152.95602
"815056"	400.4069	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M"	0
"988223"	381.38851	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-H2O-H"	-19.01839
"76831"	265.930657333333	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M-3H"	-3.021828
"513110"	399.399624	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M-3H"	-3.021828
"892007"	132.461690666667	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-3H"	-3.021828
"11676"	399.399624	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M-2H"	-2.014552
"451234"	599.603074	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M-2H"	-2.014552
"826848"	199.196174	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-2H"	-2.014552
"86841"	799.806524	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M-H"	-1.007276
"526404"	1200.213424	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M-H"	-1.007276
"895980"	399.399624	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-H"	-1.007276
"47200"	816.833071	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M-2H+NH4"	16.019271
"487167"	1217.239971	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M-2H+NH4"	16.019271
"864403"	416.426171	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-2H+NH4"	16.019271
"31546"	821.788466	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M-2H+Na"	20.974666
"471547"	1222.195366	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M-2H+Na"	20.974666
"849421"	421.381566	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-2H+Na"	20.974666
"1619197"	421.381566	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Na-2H"	20.974666
"97428"	417.387963	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M-H+Cl"	33.962126
"537355"	617.591413	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M-H+Cl"	33.962126
"929048"	217.184513	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-H+Cl"	33.962126
"269426"	835.783202	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+Cl"	34.969402
"662942"	1236.190102	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+Cl"	34.969402
"1275347"	435.376302	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Cl"	34.969402
"18996"	837.762406	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M-2H+K"	36.948606
"462569"	1238.169306	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M-2H+K"	36.948606
"842561"	437.355506	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-2H+K"	36.948606
"1568238"	437.355506	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+K-2H"	36.948606
"950653"	445.405094	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-H+HCOOH"	44.998194
"374337"	845.812001	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+HCOOH-H"	44.998201
"351659"	859.827651	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+Hac-H"	59.013851
"1503774"	459.420751	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Hac-H"	59.013851
"970221"	467.387051	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-H+NaCOOH"	66.980151
"120224"	435.376302	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+2Cl"	69.938804
"552132"	635.579752	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+2Cl"	69.938804
"1030771"	235.172852	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2Cl"	69.938804
"1241559"	479.325785	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Br"	78.918885
"1304779"	481.381772	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Cl+HCOOH"	80.974872
"1321549"	503.363729	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Cl+NaCOOH"	102.956829
"914794"	513.392486	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M-H+CF3COOH"	112.985586
"1298067"	549.369164	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Cl+CF3COOH"	148.962264
"1379510"	365.394224	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H-2H2O"	-35.012676
"1392636"	383.4042	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H-H2O"	-17.0027
"293411"	801.821076	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+H"	1.007276
"685833"	1202.227976	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+H"	1.007276
"1364005"	401.414176	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H"	1.007276
"141230"	401.414176	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+2H"	2.014552
"580954"	601.617626	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+2H"	2.014552
"1049993"	201.210726	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2H"	2.014552
"217897"	267.945209333333	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+3H"	3.021828
"657459"	401.414176	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+3H"	3.021828
"1174491"	134.476242666667	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+3H"	3.021828
"438492"	818.847623	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+NH4"	18.033823
"799734"	1219.254523	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+NH4"	18.033823
"1695091"	418.440723	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+NH4"	18.033823
"342275"	409.9274495	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+H+NH4"	19.041099
"729233"	610.1308995	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+H+NH4"	19.041099
"1481960"	209.7239995	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H+NH4"	19.041099
"396268"	823.803018	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+Na"	22.989218
"757263"	1224.209918	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+Na"	22.989218
"1603661"	423.396118	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Na"	22.989218
"314707"	412.405147	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+H+Na"	23.996494
"707697"	612.608597	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+H+Na"	23.996494
"1462001"	212.201697	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H+Na"	23.996494
"1054883"	141.803556666667	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2H+Na"	25.00377
"1257531"	433.440386	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+CH3OH+H"	33.033486
"379511"	839.776958	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+K"	38.963158
"740871"	1240.183858	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+K"	38.963158
"1542560"	439.370058	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+K"	38.963158
"303016"	420.392117	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+H+K"	39.970434
"696531"	620.595567	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+H+K"	39.970434
"1445975"	220.188667	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H+K"	39.970434
"236277"	842.847626	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+ACN+H"	42.033826
"1216039"	442.440726	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+ACN+H"	42.033826
"1198828"	221.724001	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+ACN+2H"	43.041102
"197170"	845.78496	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+2Na-H"	44.97116
"638919"	1246.19186	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+2Na-H"	44.97116
"1141330"	445.37806	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2Na-H"	44.97116
"183528"	423.396118	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+2Na"	45.978436
"625276"	623.599568	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+2Na"	45.978436
"1125502"	223.192668	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2Na"	45.978436
"1409029"	149.130870666667	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H+2Na"	46.985712
"1443335"	447.419646	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H+HCOOH"	47.012746
"230843"	428.42914	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+3H2O+2H"	56.04448
"1514533"	461.47169	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+IsoProp+H"	61.06479
"421876"	431.383088	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+Na+K"	61.952376
"783598"	631.586538	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+Na+K"	61.952376
"1679201"	231.179638	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Na+K"	61.952376
"262441"	864.829568	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+ACN+Na"	64.015768
"1236974"	464.422668	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+ACN+Na"	64.015768
"1722943"	464.446193	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+NH4+HCOOH"	64.039293
"1191579"	156.458184666667	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+3Na"	68.967654
"1659281"	469.401588	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Na+HCOOH"	68.994688
"166144"	877.73284	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+2K-H"	76.91904
"599142"	1278.13974	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+2K-H"	76.91904
"1092403"	477.32594	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2K-H"	76.91904
"147034"	439.370058	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"2M+2K"	77.926316
"582095"	639.573508	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"3M+2K"	77.926316
"1073293"	239.166608	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2K"	77.926316
"1100542"	479.340492	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2K+H"	78.933592
"1336200"	479.428107	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+DMSO+H"	79.021207
"1011419"	483.467276	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2ACN+H"	83.060376
"1529545"	484.460908	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+IsoProp+Na+H"	84.054008
"995991"	242.237276	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+2ACN+2H"	84.067652
"1597056"	485.375528	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+K+HCOOH"	84.968628
"1422715"	515.407038	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+H+CF3COOH"	115.000138
"1159201"	262.750551	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+3ACN+2H"	125.094202
"1703649"	532.433585	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+NH4+CF3COOH"	132.026685
"1638206"	537.38898	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+Na+CF3COOH"	136.98208
"1585887"	553.36292	"C19667"	"5alpha-Poriferastane"	"C29H52"	"400.4069"	"M+K+CF3COOH"	152.95602
"812979"	412.4069	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M"	0
"988942"	393.38851	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-H2O-H"	-19.01839
"76820"	273.930657333333	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M-3H"	-3.021828
"514313"	411.399624	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M-3H"	-3.021828
"894061"	136.461690666667	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-3H"	-3.021828
"12880"	411.399624	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M-2H"	-2.014552
"452437"	617.603074	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M-2H"	-2.014552
"826958"	205.196174	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-2H"	-2.014552
"86951"	823.806524	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M-H"	-1.007276
"526512"	1236.213424	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M-H"	-1.007276
"896292"	411.399624	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-H"	-1.007276
"47550"	840.833071	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M-2H+NH4"	16.019271
"487554"	1253.239971	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M-2H+NH4"	16.019271
"865108"	428.426171	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-2H+NH4"	16.019271
"32280"	845.788466	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M-2H+Na"	20.974666
"472081"	1258.195366	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M-2H+Na"	20.974666
"850382"	433.381566	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-2H+Na"	20.974666
"1619183"	433.381566	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Na-2H"	20.974666
"98631"	429.387963	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M-H+Cl"	33.962126
"537465"	635.591413	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M-H+Cl"	33.962126
"931345"	223.184513	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-H+Cl"	33.962126
"269536"	859.783202	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+Cl"	34.969402
"663782"	1272.190102	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+Cl"	34.969402
"1277279"	447.376302	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Cl"	34.969402
"18741"	861.762406	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M-2H+K"	36.948606
"460488"	1274.169306	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M-2H+K"	36.948606
"836467"	449.355506	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-2H+K"	36.948606
"1566160"	449.355506	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+K-2H"	36.948606
"946752"	457.405094	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-H+HCOOH"	44.998194
"365700"	869.812001	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+HCOOH-H"	44.998201
"349215"	883.827651	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+Hac-H"	59.013851
"1501697"	471.420751	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Hac-H"	59.013851
"968145"	479.387051	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-H+NaCOOH"	66.980151
"121427"	447.376302	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+2Cl"	69.938804
"556616"	653.579752	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+2Cl"	69.938804
"1029788"	241.172852	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2Cl"	69.938804
"1243899"	491.325785	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Br"	78.918885
"1307073"	493.381772	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Cl+HCOOH"	80.974872
"1322384"	515.363729	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Cl+NaCOOH"	102.956829
"914904"	525.392486	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M-H+CF3COOH"	112.985586
"1299271"	561.369164	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Cl+CF3COOH"	148.962264
"1382050"	377.394224	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H-2H2O"	-35.012676
"1394932"	395.4042	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H-H2O"	-17.0027
"294614"	825.821076	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+H"	1.007276
"687036"	1238.227976	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+H"	1.007276
"1366422"	413.414176	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H"	1.007276
"141014"	413.414176	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+2H"	2.014552
"580861"	619.617626	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+2H"	2.014552
"1052416"	207.210726	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2H"	2.014552
"219096"	275.945209333333	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+3H"	3.021828
"657933"	413.414176	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+3H"	3.021828
"1176424"	138.476242666667	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+3H"	3.021828
"434591"	842.847623	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+NH4"	18.033823
"797778"	1255.254523	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+NH4"	18.033823
"1696176"	430.440723	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+NH4"	18.033823
"345145"	421.9274495	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+H+NH4"	19.041099
"730438"	628.1308995	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+H+NH4"	19.041099
"1484259"	215.7239995	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H+NH4"	19.041099
"400752"	847.803018	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+Na"	22.989218
"761747"	1260.209918	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+Na"	22.989218
"1607659"	435.396118	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Na"	22.989218
"316237"	424.405147	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+H+Na"	23.996494
"708659"	630.608597	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+H+Na"	23.996494
"1463570"	218.201697	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H+Na"	23.996494
"1056088"	145.803556666667	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2H+Na"	25.00377
"1260317"	445.440386	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+CH3OH+H"	33.033486
"379985"	863.776958	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+K"	38.963158
"739888"	1276.183858	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+K"	38.963158
"1542670"	451.370058	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+K"	38.963158
"300940"	432.392117	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+H+K"	39.970434
"695548"	638.595567	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+H+K"	39.970434
"1447180"	226.188667	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H+K"	39.970434
"236509"	866.847626	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+ACN+H"	42.033826
"1216149"	454.440726	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+ACN+H"	42.033826
"1198938"	227.724001	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+ACN+2H"	43.041102
"194000"	869.78496	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+2Na-H"	44.97116
"634656"	1282.19186	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+2Na-H"	44.97116
"1137067"	457.37806	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2Na-H"	44.97116
"182545"	435.396118	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+2Na"	45.978436
"619918"	641.599568	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+2Na"	45.978436
"1125611"	229.192668	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2Na"	45.978436
"1411325"	153.130870666667	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H+2Na"	46.985712
"1441260"	459.419646	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H+HCOOH"	47.012746
"229860"	440.42914	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+3H2O+2H"	56.04448
"1514643"	473.47169	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+IsoProp+H"	61.06479
"418343"	443.383088	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+Na+K"	61.952376
"778607"	649.586538	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+Na+K"	61.952376
"1677126"	237.179638	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Na+K"	61.952376
"261823"	888.829568	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+ACN+Na"	64.015768
"1233076"	476.422668	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+ACN+Na"	64.015768
"1719774"	476.446193	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+NH4+HCOOH"	64.039293
"1186221"	160.458184666667	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+3Na"	68.967654
"1657205"	481.401588	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Na+HCOOH"	68.994688
"162974"	901.73284	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+2K-H"	76.91904
"598033"	1314.13974	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+2K-H"	76.91904
"1090327"	489.32594	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2K-H"	76.91904
"147144"	451.370058	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"2M+2K"	77.926316
"581717"	657.573508	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"3M+2K"	77.926316
"1072307"	245.166608	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2K"	77.926316
"1100655"	491.340492	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2K+H"	78.933592
"1337400"	491.428107	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+DMSO+H"	79.021207
"1010436"	495.467276	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2ACN+H"	83.060376
"1528560"	496.460908	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+IsoProp+Na+H"	84.054008
"995008"	248.237276	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+2ACN+2H"	84.067652
"1596073"	497.375528	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+K+HCOOH"	84.968628
"1421732"	527.407038	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+H+CF3COOH"	115.000138
"1159675"	268.750551	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+3ACN+2H"	125.094202
"1703759"	544.433585	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+NH4+CF3COOH"	132.026685
"1638316"	549.38898	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+Na+CF3COOH"	136.98208
"1585997"	565.36292	"C19668"	"Gorgostane"	"C30H52"	"412.4069"	"M+K+CF3COOH"	152.95602
"816723"	202.2157	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M"	0
"989539"	183.19731	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-H2O-H"	-19.01839
"74867"	133.803190666667	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M-3H"	-3.021828
"514427"	201.208424	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M-3H"	-3.021828
"881295"	66.3979573333333	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-3H"	-3.021828
"13720"	201.208424	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M-2H"	-2.014552
"447084"	302.316274	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M-2H"	-2.014552
"829257"	100.100574	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-2H"	-2.014552
"90345"	403.424124	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M-H"	-1.007276
"529540"	605.639824	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M-H"	-1.007276
"897866"	201.208424	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-H"	-1.007276
"51147"	420.450671	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M-2H+NH4"	16.019271
"490709"	622.666371	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M-2H+NH4"	16.019271
"867414"	218.234971	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-2H+NH4"	16.019271
"33251"	425.406066	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M-2H+Na"	20.974666
"478158"	627.621766	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M-2H+Na"	20.974666
"859242"	223.190366	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-2H+Na"	20.974666
"1621119"	223.190366	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Na-2H"	20.974666
"102024"	219.196763	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M-H+Cl"	33.962126
"539763"	320.304613	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M-H+Cl"	33.962126
"935101"	118.088913	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-H+Cl"	33.962126
"274751"	439.400802	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+Cl"	34.969402
"669724"	641.616502	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+Cl"	34.969402
"1281399"	237.185102	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Cl"	34.969402
"26506"	441.380006	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M-2H+K"	36.948606
"462785"	643.595706	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M-2H+K"	36.948606
"842782"	239.164306	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-2H+K"	36.948606
"1566272"	239.164306	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+K-2H"	36.948606
"951969"	247.213894	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-H+HCOOH"	44.998194
"364716"	449.429601	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+HCOOH-H"	44.998201
"359536"	463.445251	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+Hac-H"	59.013851
"1505820"	261.229551	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Hac-H"	59.013851
"972266"	269.195851	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-H+NaCOOH"	66.980151
"123728"	237.185102	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+2Cl"	69.938804
"556726"	338.292952	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+2Cl"	69.938804
"1030993"	136.077252	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2Cl"	69.938804
"1242917"	281.134585	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Br"	78.918885
"1306091"	283.190572	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Cl+HCOOH"	80.974872
"1326142"	305.172529	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Cl+NaCOOH"	102.956829
"919388"	315.201286	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M-H+CF3COOH"	112.985586
"1300474"	351.177964	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Cl+CF3COOH"	148.962264
"1381795"	167.203024	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H-2H2O"	-35.012676
"1395042"	185.213	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H-H2O"	-17.0027
"295821"	405.438676	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+H"	1.007276
"688240"	607.654376	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+H"	1.007276
"1366945"	203.222976	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H"	1.007276
"140032"	203.222976	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+2H"	2.014552
"579965"	304.330826	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+2H"	2.014552
"1051681"	102.115126	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2H"	2.014552
"219086"	135.817742666667	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+3H"	3.021828
"658048"	203.222976	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+3H"	3.021828
"1175806"	68.4125093333333	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+3H"	3.021828
"437620"	422.465223	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+NH4"	18.033823
"797525"	624.680923	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+NH4"	18.033823
"1695315"	220.249523	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+NH4"	18.033823
"343229"	211.7362495	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+H+NH4"	19.041099
"730547"	312.8440995	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+H+NH4"	19.041099
"1482183"	110.6283995	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H+NH4"	19.041099
"401956"	427.420618	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+Na"	22.989218
"762951"	629.636318	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+Na"	22.989218
"1605947"	225.204918	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Na"	22.989218
"314646"	214.213947	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+H+Na"	23.996494
"709135"	315.321797	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+H+Na"	23.996494
"1467329"	113.106097	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H+Na"	23.996494
"1056201"	75.7398233333333	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2H+Na"	25.00377
"1261157"	235.249186	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+CH3OH+H"	33.033486
"380824"	443.394558	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+K"	38.963158
"742185"	645.610258	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+K"	38.963158
"1543873"	241.178858	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+K"	38.963158
"302142"	222.200917	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+H+K"	39.970434
"691642"	323.308767	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+H+K"	39.970434
"1453849"	121.093067	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H+K"	39.970434
"238077"	446.465226	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+ACN+H"	42.033826
"1217351"	244.249526	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+ACN+H"	42.033826
"1196858"	122.628401	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+ACN+2H"	43.041102
"194110"	449.40256	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+2Na-H"	44.97116
"640233"	651.61826	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+2Na-H"	44.97116
"1137177"	247.18686	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2Na-H"	44.97116
"182655"	225.204918	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+2Na"	45.978436
"620028"	326.312768	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+2Na"	45.978436
"1127914"	124.097068	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2Na"	45.978436
"1411436"	83.0671373333333	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H+2Na"	46.985712
"1441372"	249.228446	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H+HCOOH"	47.012746
"232156"	230.23794	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+3H2O+2H"	56.04448
"1519493"	263.28049	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+IsoProp+H"	61.06479
"420275"	233.191888	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+Na+K"	61.952376
"781272"	334.299738	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+Na+K"	61.952376
"1674323"	132.084038	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Na+K"	61.952376
"258291"	468.447168	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+ACN+Na"	64.015768
"1230634"	266.231468	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+ACN+Na"	64.015768
"1719154"	266.254993	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+NH4+HCOOH"	64.039293
"1186332"	90.3944513333333	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+3Na"	68.967654
"1661690"	271.210388	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Na+HCOOH"	68.994688
"165636"	481.35044	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+2K-H"	76.91904
"604828"	683.56614	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+2K-H"	76.91904
"1092624"	279.13474	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2K-H"	76.91904
"142881"	241.178858	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"2M+2K"	77.926316
"581907"	342.286708	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"3M+2K"	77.926316
"1069014"	140.071008	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2K"	77.926316
"1103441"	281.149292	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2K+H"	78.933592
"1336546"	281.236907	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+DMSO+H"	79.021207
"1011641"	285.276076	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2ACN+H"	83.060376
"1531954"	286.269708	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+IsoProp+Na+H"	84.054008
"994027"	143.141676	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+2ACN+2H"	84.067652
"1591810"	287.184328	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+K+HCOOH"	84.968628
"1421843"	317.215838	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+H+CF3COOH"	115.000138
"1156505"	163.654951	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+3ACN+2H"	125.094202
"1703870"	334.242385	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+NH4+CF3COOH"	132.026685
"1644988"	339.19778	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+Na+CF3COOH"	136.98208
"1586107"	355.17172	"C19669"	"Thermospermine"	"C10H26N4"	"202.2157"	"M+K+CF3COOH"	152.95602
"814293"	281.2719	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M"	0
"987823"	262.25351	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-H2O-H"	-19.01839
"74977"	186.507324	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M-3H"	-3.021828
"514537"	280.264624	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M-3H"	-3.021828
"882497"	92.750024	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-3H"	-3.021828
"15166"	280.264624	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M-2H"	-2.014552
"449380"	420.900574	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M-2H"	-2.014552
"828277"	139.628674	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-2H"	-2.014552
"89362"	561.536524	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M-H"	-1.007276
"522360"	842.808424	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M-H"	-1.007276
"897976"	280.264624	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-H"	-1.007276
"49435"	578.563071	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M-2H+NH4"	16.019271
"490819"	859.834971	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M-2H+NH4"	16.019271
"869714"	297.291171	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-2H+NH4"	16.019271
"36522"	583.518466	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M-2H+Na"	20.974666
"479363"	864.790366	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M-2H+Na"	20.974666
"859352"	302.246566	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-2H+Na"	20.974666
"1632166"	302.246566	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Na-2H"	20.974666
"103230"	298.252963	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M-H+Cl"	33.962126
"540603"	438.888913	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M-H+Cl"	33.962126
"936304"	157.617013	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-H+Cl"	33.962126
"273769"	597.513202	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+Cl"	34.969402
"670563"	878.785102	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+Cl"	34.969402
"1282968"	316.241302	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Cl"	34.969402
"25523"	599.492406	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M-2H+K"	36.948606
"461803"	880.764306	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M-2H+K"	36.948606
"842890"	318.220506	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-2H+K"	36.948606
"1567476"	318.220506	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+K-2H"	36.948606
"952079"	326.270094	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-H+HCOOH"	44.998194
"368108"	607.542001	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+HCOOH-H"	44.998201
"360379"	621.557651	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+Hac-H"	59.013851
"1505931"	340.285751	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Hac-H"	59.013851
"971651"	348.252051	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-H+NaCOOH"	66.980151
"122743"	316.241302	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+2Cl"	69.938804
"556837"	456.877252	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+2Cl"	69.938804
"1024543"	175.605352	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2Cl"	69.938804
"1242663"	360.190785	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Br"	78.918885
"1305108"	362.246772	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Cl+HCOOH"	80.974872
"1324066"	384.228729	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Cl+NaCOOH"	102.956829
"917312"	394.257486	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M-H+CF3COOH"	112.985586
"1300583"	430.234164	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Cl+CF3COOH"	148.962264
"1371090"	246.259224	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H-2H2O"	-35.012676
"1396245"	264.2692	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H-H2O"	-17.0027
"297755"	563.551076	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+H"	1.007276
"688350"	844.822976	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+H"	1.007276
"1366642"	282.279176	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H"	1.007276
"140143"	282.279176	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+2H"	2.014552
"581360"	422.915126	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+2H"	2.014552
"1052641"	141.643226	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2H"	2.014552
"219439"	188.521876	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+3H"	3.021828
"659497"	282.279176	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+3H"	3.021828
"1178438"	94.764576	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+3H"	3.021828
"439720"	580.577623	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+NH4"	18.033823
"797634"	861.849523	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+NH4"	18.033823
"1695787"	299.305723	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+NH4"	18.033823
"345670"	290.7924495	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+H+NH4"	19.041099
"733940"	431.4283995	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+H+NH4"	19.041099
"1484480"	150.1564995	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H+NH4"	19.041099
"407533"	585.533018	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+Na"	22.989218
"765249"	866.804918	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+Na"	22.989218
"1612254"	304.261118	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Na"	22.989218
"316822"	293.270147	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+H+Na"	23.996494
"711432"	433.906097	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+H+Na"	23.996494
"1467439"	152.634197	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H+Na"	23.996494
"1056311"	102.09189	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2H+Na"	25.00377
"1261267"	314.305386	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+CH3OH+H"	33.033486
"382028"	601.506958	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+K"	38.963158
"745211"	882.778858	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+K"	38.963158
"1543984"	320.235058	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+K"	38.963158
"302252"	301.257117	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+H+K"	39.970434
"691631"	441.893067	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+H+K"	39.970434
"1451773"	160.621167	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H+K"	39.970434
"238187"	604.577626	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+ACN+H"	42.033826
"1212721"	323.305726	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+ACN+H"	42.033826
"1195874"	162.156501	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+ACN+2H"	43.041102
"192030"	607.51496	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+2Na-H"	44.97116
"640343"	888.78686	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+2Na-H"	44.97116
"1137287"	326.24306	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2Na-H"	44.97116
"182765"	304.261118	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+2Na"	45.978436
"620138"	444.897068	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+2Na"	45.978436
"1130206"	163.625168	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2Na"	45.978436
"1411546"	109.419204	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H+2Na"	46.985712
"1442938"	328.284646	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H+HCOOH"	47.012746
"231902"	309.29414	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+3H2O+2H"	56.04448
"1521428"	342.33669	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+IsoProp+H"	61.06479
"416743"	312.248088	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+Na+K"	61.952376
"782838"	452.884038	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+Na+K"	61.952376
"1677712"	171.612138	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Na+K"	61.952376
"261680"	626.559568	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+ACN+Na"	64.015768
"1235481"	345.287668	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+ACN+Na"	64.015768
"1719993"	345.311193	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+NH4+HCOOH"	64.039293
"1188627"	116.746518	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+3Na"	68.967654
"1662163"	350.266588	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Na+HCOOH"	68.994688
"166474"	639.46284	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+2K-H"	76.91904
"602754"	920.73474	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+2K-H"	76.91904
"1085686"	358.19094	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2K-H"	76.91904
"142991"	320.235058	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"2M+2K"	77.926316
"582545"	460.871008	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"3M+2K"	77.926316
"1071435"	179.599108	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2K"	77.926316
"1103551"	360.205492	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2K+H"	78.933592
"1337024"	360.293107	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+DMSO+H"	79.021207
"1009564"	364.332276	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2ACN+H"	83.060376
"1535345"	365.325908	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+IsoProp+Na+H"	84.054008
"995231"	182.669776	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+2ACN+2H"	84.067652
"1596294"	366.240528	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+K+HCOOH"	84.968628
"1426327"	396.272038	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+H+CF3COOH"	115.000138
"1160990"	203.183051	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+3ACN+2H"	125.094202
"1707259"	413.298585	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+NH4+CF3COOH"	132.026685
"1645098"	418.25398	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+Na+CF3COOH"	136.98208
"1586217"	434.22792	"C19670"	"Oleamide;Oleyl amide;(Z)-9-Octadecenamide"	"C18H35NO"	"281.2719"	"M+K+CF3COOH"	152.95602
"813306"	232.0348	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M"	0
"986842"	213.01641	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H2O-H"	-19.01839
"77516"	153.682590666667	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-3H"	-3.021828
"518090"	231.027524	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-3H"	-3.021828
"890259"	76.3376573333333	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-3H"	-3.021828
"7743"	231.027524	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H"	-2.014552
"442929"	347.044924	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H"	-2.014552
"817812"	115.010124	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H"	-2.014552
"79259"	463.062324	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-H"	-1.007276
"518940"	695.097124	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-H"	-1.007276
"896014"	231.027524	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H"	-1.007276
"50273"	480.088871	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+NH4"	16.019271
"493115"	712.123671	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+NH4"	16.019271
"864719"	248.054071	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+NH4"	16.019271
"32010"	485.044266	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+Na"	20.974666
"476192"	717.079066	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+Na"	20.974666
"855087"	253.009466	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+Na"	20.974666
"1626809"	253.009466	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na-2H"	20.974666
"102246"	249.015863	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-H+Cl"	33.962126
"537067"	365.033263	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-H+Cl"	33.962126
"930217"	132.998463	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+Cl"	33.962126
"270597"	499.039002	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Cl"	34.969402
"670674"	731.073802	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+Cl"	34.969402
"1273717"	267.004202	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl"	34.969402
"31071"	501.018206	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M-2H+K"	36.948606
"468484"	733.053006	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M-2H+K"	36.948606
"843004"	268.983406	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-2H+K"	36.948606
"1567584"	268.983406	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K-2H"	36.948606
"951094"	277.032994	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+HCOOH"	44.998194
"376123"	509.067801	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+HCOOH-H"	44.998201
"360733"	523.083451	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Hac-H"	59.013851
"1503126"	291.048651	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Hac-H"	59.013851
"968480"	299.014951	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+NaCOOH"	66.980151
"117386"	267.004202	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Cl"	69.938804
"555855"	383.021602	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Cl"	69.938804
"1024655"	150.986802	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2Cl"	69.938804
"1242410"	310.953685	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Br"	78.918885
"1314337"	313.009672	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+HCOOH"	80.974872
"1332929"	334.991629	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+NaCOOH"	102.956829
"923988"	345.020386	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M-H+CF3COOH"	112.985586
"1300696"	380.997064	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Cl+CF3COOH"	148.962264
"1378856"	197.022124	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H-2H2O"	-35.012676
"1395259"	215.0321	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H-H2O"	-17.0027
"297378"	465.076876	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H"	1.007276
"687367"	697.111676	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H"	1.007276
"1366389"	233.042076	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H"	1.007276
"140614"	233.042076	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2H"	2.014552
"578724"	349.059476	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2H"	2.014552
"1051174"	117.024676	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2H"	2.014552
"217616"	155.697142666667	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H"	3.021828
"659829"	233.042076	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+3H"	3.021828
"1176640"	78.3522093333333	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+3H"	3.021828
"436020"	482.103423	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+NH4"	18.033823
"797019"	714.138223	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+NH4"	18.033823
"1693712"	250.068623	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4"	18.033823
"341628"	241.5553495	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+NH4"	19.041099
"732956"	357.5727495	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+NH4"	19.041099
"1490056"	125.5379495	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+NH4"	19.041099
"401081"	487.058818	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na"	22.989218
"766086"	719.093618	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na"	22.989218
"1609081"	255.024018	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na"	22.989218
"322399"	244.033047	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+Na"	23.996494
"710446"	360.050447	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+Na"	23.996494
"1465360"	128.015647	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+Na"	23.996494
"1055324"	85.6795233333333	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2H+Na"	25.00377
"1261377"	265.068286	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+CH3OH+H"	33.033486
"383231"	503.032758	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+K"	38.963158
"746414"	735.067558	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+K"	38.963158
"1544092"	270.997958	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K"	38.963158
"298682"	252.020017	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+H+K"	39.970434
"694056"	368.037417	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+H+K"	39.970434
"1448969"	136.002617	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+K"	39.970434
"243772"	506.103426	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+H"	42.033826
"1214295"	274.068626	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+H"	42.033826
"1206928"	137.537951	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+2H"	43.041102
"201986"	509.04076	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na-H"	44.97116
"640453"	741.07556	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na-H"	44.97116
"1143959"	277.00596	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na-H"	44.97116
"183970"	255.024018	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2Na"	45.978436
"626693"	371.041418	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2Na"	45.978436
"1128134"	139.006618	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2Na"	45.978436
"1411661"	93.0068373333333	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+2Na"	46.985712
"1442682"	279.047546	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+HCOOH"	47.012746
"231283"	260.05704	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+3H2O+2H"	56.04448
"1521168"	293.09959	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+H"	61.06479
"422313"	263.010988	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+Na+K"	61.952376
"784039"	379.028388	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+Na+K"	61.952376
"1678549"	146.993588	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+K"	61.952376
"265068"	528.085368	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+ACN+Na"	64.015768
"1237049"	296.050568	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+ACN+Na"	64.015768
"1720103"	296.074093	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+HCOOH"	64.039293
"1183269"	100.334151333333	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+3Na"	68.967654
"1657535"	301.029488	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+HCOOH"	68.994688
"167312"	540.98864	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K-H"	76.91904
"598855"	773.02344	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K-H"	76.91904
"1087009"	308.95384	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2K-H"	76.91904
"143218"	270.997958	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"2M+2K"	77.926316
"581601"	387.015358	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"3M+2K"	77.926316
"1068987"	154.980558	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2K"	77.926316
"1099923"	310.968392	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2K+H"	78.933592
"1337131"	311.056007	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+DMSO+H"	79.021207
"1008578"	315.095176	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+H"	83.060376
"1527799"	316.088808	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+IsoProp+Na+H"	84.054008
"993153"	158.051226	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+2ACN+2H"	84.067652
"1589475"	317.003428	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K+HCOOH"	84.968628
"1418780"	347.034938	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+H+CF3COOH"	115.000138
"1150165"	178.564501	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+3ACN+2H"	125.094202
"1700811"	364.061485	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+NH4+CF3COOH"	132.026685
"1636461"	369.01688	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+Na+CF3COOH"	136.98208
"1586330"	384.99082	"C19674"	"D-Arabinitol 1-phosphate;D-Arabitol 1-phosphate"	"C5H13O8P"	"232.0348"	"M+K+CF3COOH"	152.95602
"813416"	156.0092	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M"	0
"989142"	136.99081	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-H2O-H"	-19.01839
"74104"	102.998857333333	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M-3H"	-3.021828
"513664"	155.001924	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M-3H"	-3.021828
"885998"	50.9957906666667	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-3H"	-3.021828
"2385"	155.001924	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M-2H"	-2.014552
"441946"	233.006524	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M-2H"	-2.014552
"818408"	76.997324	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-2H"	-2.014552
"80099"	311.011124	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M-H"	-1.007276
"519415"	467.020324	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M-H"	-1.007276
"897100"	155.001924	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-H"	-1.007276
"48558"	328.037671	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M-2H+NH4"	16.019271
"488851"	484.046871	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M-2H+NH4"	16.019271
"864944"	172.028471	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-2H+NH4"	16.019271
"31577"	332.993066	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M-2H+Na"	20.974666
"471677"	489.002266	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M-2H+Na"	20.974666
"856290"	176.983866	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-2H+Na"	20.974666
"1625826"	176.983866	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Na-2H"	20.974666
"102358"	172.990263	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M-H+Cl"	33.962126
"536812"	250.994863	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M-H+Cl"	33.962126
"932151"	94.985663	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-H+Cl"	33.962126
"271073"	346.987802	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+Cl"	34.969402
"670784"	502.997002	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+Cl"	34.969402
"1274435"	190.978602	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Cl"	34.969402
"27941"	348.967006	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M-2H+K"	36.948606
"468596"	504.976206	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M-2H+K"	36.948606
"845301"	192.957806	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-2H+K"	36.948606
"1564414"	192.957806	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+K-2H"	36.948606
"953025"	201.007394	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-H+HCOOH"	44.998194
"375621"	357.016601	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+HCOOH-H"	44.998201
"359868"	371.032251	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+Hac-H"	59.013851
"1502143"	215.023051	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Hac-H"	59.013851
"964216"	222.989351	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-H+NaCOOH"	66.980151
"116403"	190.978602	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+2Cl"	69.938804
"561430"	268.983202	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+2Cl"	69.938804
"1024034"	112.974002	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2Cl"	69.938804
"1242156"	234.928085	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Br"	78.918885
"1308981"	236.984072	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Cl+HCOOH"	80.974872
"1324288"	258.966029	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Cl+NaCOOH"	102.956829
"914618"	268.994786	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M-H+CF3COOH"	112.985586
"1292419"	304.971464	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Cl+CF3COOH"	148.962264
"1378966"	120.996524	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H-2H2O"	-35.012676
"1396462"	139.0065	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H-H2O"	-17.0027
"293960"	313.025676	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+H"	1.007276
"689661"	469.034876	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+H"	1.007276
"1363824"	157.016476	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H"	1.007276
"140974"	157.016476	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+2H"	2.014552
"578834"	235.021076	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+2H"	2.014552
"1050798"	79.011876	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2H"	2.014552
"219512"	105.013409333333	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+3H"	3.021828
"659519"	157.016476	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+3H"	3.021828
"1176629"	53.0103426666667	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+3H"	3.021828
"435037"	330.052223	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+NH4"	18.033823
"794941"	486.061423	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+NH4"	18.033823
"1693457"	174.043023	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+NH4"	18.033823
"340644"	165.5297495	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+H+NH4"	19.041099
"730879"	243.5343495	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+H+NH4"	19.041099
"1490897"	87.5251495	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H+NH4"	19.041099
"403379"	335.007618	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+Na"	22.989218
"765467"	491.016818	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+Na"	22.989218
"1611380"	178.998418	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Na"	22.989218
"314368"	168.007447	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+H+Na"	23.996494
"708370"	246.012047	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+H+Na"	23.996494
"1463283"	90.002847	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H+Na"	23.996494
"1056529"	60.3376566666667	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2H+Na"	25.00377
"1259302"	189.042686	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+CH3OH+H"	33.033486
"380061"	350.981558	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+K"	38.963158
"745431"	506.990758	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+K"	38.963158
"1544202"	194.972358	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+K"	38.963158
"301377"	175.994417	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+H+K"	39.970434
"692344"	253.999017	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+H+K"	39.970434
"1446163"	97.989817	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H+K"	39.970434
"243883"	354.052226	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+ACN+H"	42.033826
"1218781"	198.043026	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+ACN+H"	42.033826
"1205945"	99.525151	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+ACN+2H"	43.041102
"201975"	356.98956	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+2Na-H"	44.97116
"643484"	512.99876	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+2Na-H"	44.97116
"1145774"	200.98036	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2Na-H"	44.97116
"182987"	178.998418	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+2Na"	45.978436
"626922"	257.003018	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+2Na"	45.978436
"1126789"	100.993818	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2Na"	45.978436
"1408490"	67.6649706666667	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H+2Na"	46.985712
"1441697"	203.021946	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H+HCOOH"	47.012746
"230298"	184.03144	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+3H2O+2H"	56.04448
"1518361"	217.07399	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+IsoProp+H"	61.06479
"421330"	186.985388	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+Na+K"	61.952376
"783057"	264.989988	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+Na+K"	61.952376
"1677566"	108.980788	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Na+K"	61.952376
"262988"	376.034168	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+ACN+Na"	64.015768
"1234973"	220.024968	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+ACN+Na"	64.015768
"1720211"	220.048493	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+NH4+HCOOH"	64.039293
"1183012"	74.9922846666667	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+3Na"	68.967654
"1655459"	225.003888	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Na+HCOOH"	68.994688
"160494"	388.93744	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+2K-H"	76.91904
"599695"	544.94664	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+2K-H"	76.91904
"1086758"	232.92824	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2K-H"	76.91904
"143934"	194.972358	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"2M+2K"	77.926316
"581914"	272.976958	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"3M+2K"	77.926316
"1068851"	116.967758	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2K"	77.926316
"1100040"	234.942792	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2K+H"	78.933592
"1336024"	235.030407	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+DMSO+H"	79.021207
"1006379"	239.069576	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2ACN+H"	83.060376
"1527908"	240.063208	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+IsoProp+Na+H"	84.054008
"993263"	120.038426	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+2ACN+2H"	84.067652
"1591045"	240.977828	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+K+HCOOH"	84.968628
"1418890"	271.009338	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+H+CF3COOH"	115.000138
"1148452"	140.551701	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+3ACN+2H"	125.094202
"1702014"	288.035885	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+NH4+CF3COOH"	132.026685
"1636571"	292.99128	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+Na+CF3COOH"	136.98208
"1586440"	308.96522	"C19675"	"(R)-23-Dihydroxypropane-1-sulfonate"	"C3H8O5S"	"156.0092"	"M+K+CF3COOH"	152.95602
"813526"	220.1827	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M"	0
"989684"	201.16431	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"78497"	145.781190666667	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"515959"	219.175424	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"892667"	72.3869573333333	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"9056"	219.175424	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"443150"	329.266774	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"820950"	109.084074	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"80697"	439.358124	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"520136"	659.540824	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"901585"	219.175424	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"48427"	456.384671	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"488230"	676.567371	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"865176"	236.201971	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"32351"	461.340066	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"471986"	681.522766	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"852027"	241.157366	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1623749"	241.157366	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"105747"	237.163763	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"543120"	347.255113	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"932261"	127.072413	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"277379"	475.334802	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"670894"	695.517502	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1276736"	255.152102	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"28421"	477.314006	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"470166"	697.496706	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"846509"	257.131306	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1567809"	257.131306	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"953502"	265.180894	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"376097"	485.363601	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"360471"	499.379251	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1504441"	279.196551	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"967608"	287.162851	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"121981"	255.152102	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"565071"	365.243452	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1029248"	145.060752	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1247734"	299.101585	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1315652"	301.157572	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1328773"	323.139529	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"920925"	333.168286	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1298726"	369.144964	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1381997"	185.170024	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1395479"	203.18	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"295164"	441.372676	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"687584"	661.555376	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1366367"	221.189976	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"140480"	221.189976	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"581131"	331.281326	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1051760"	111.098626	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"217837"	147.795742666667	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"658860"	221.189976	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1176740"	74.4015093333333	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"437337"	458.399223	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"797603"	678.581923	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1693567"	238.216523	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"337474"	229.7032495	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"734999"	339.7945995	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1486997"	119.6118995	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"406041"	463.354618	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"766311"	683.537318	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1615501"	243.171918	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"323714"	232.180947	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"716135"	342.272297	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1468862"	122.089597	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1057733"	81.7288233333333	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1262692"	253.216186	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"379079"	479.328558	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"746635"	699.511258	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1545407"	259.145858	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"308049"	240.167917	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"691962"	350.259267	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1445908"	130.076567	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"240713"	482.399226	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1215611"	262.216526	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1202775"	131.611901	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"198926"	485.33656	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"640674"	705.51926	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1143455"	265.15386	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"186744"	243.171918	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"625575"	353.263268	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1125073"	133.080568	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1411756"	89.0561373333333	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1443391"	267.195446	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"233694"	248.20494	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1520659"	281.24749	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"420345"	251.158888	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"783527"	361.250238	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1679133"	141.067538	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"264191"	504.381168	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1235807"	284.198468	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1721416"	284.221993	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1183491"	96.3834513333333	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1658850"	289.177388	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"162430"	517.28444	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"605272"	737.46714	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1087961"	297.10174	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"146598"	259.145858	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"582875"	369.237208	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1068550"	149.054508	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1102789"	299.116292	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1337351"	299.203907	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1008799"	303.243076	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1529112"	304.236708	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"994466"	152.125176	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1593341"	305.151328	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1417907"	335.182838	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1148926"	172.638451	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1703217"	352.209385	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1634614"	357.16478	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1586550"	373.13872	"C19676"	"Germacra-1(10)411(13)-trien-12-ol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"813636"	218.1671	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M"	0
"987902"	199.14871	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"71040"	144.437457333333	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"513882"	217.159824	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"889498"	71.7150906666667	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"2607"	217.159824	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"445447"	326.243374	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"818995"	108.076274	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"79098"	435.326924	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"519147"	653.494024	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"897441"	217.159824	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"47924"	452.353471	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"487557"	670.520571	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"864790"	234.186371	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"35136"	457.308866	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"471896"	675.475966	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"848699"	239.141766	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1623859"	239.141766	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"100389"	235.148163	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"545418"	344.231713	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"932371"	126.064613	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"274208"	471.303602	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"671004"	689.470702	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1277211"	253.136502	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"29620"	473.282806	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"467721"	691.449906	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"845522"	255.115706	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1565729"	255.115706	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"950330"	263.165294	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"375477"	481.332401	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"360093"	495.348051	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1502363"	277.180951	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"969904"	285.147251	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"123185"	253.136502	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"561650"	362.220052	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1028264"	144.052952	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1246750"	297.085985	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1311387"	299.141972	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1328883"	321.123929	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"923222"	331.152686	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1301023"	367.129364	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1381374"	183.154424	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1396318"	201.1644	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"291994"	437.341476	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"691263"	655.508576	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1366985"	219.174376	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H"	1.007276
"141072"	219.174376	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"579778"	328.257926	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1051501"	110.090826	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"218433"	146.452009333333	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"659817"	219.174376	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1177823"	73.7296426666667	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"437448"	454.368023	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"798806"	672.535123	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1695864"	236.200923	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"340864"	227.6876495	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"735838"	336.7711995	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1489294"	118.6040995	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"405422"	459.323418	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"767513"	677.490518	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1615975"	241.156318	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"322730"	230.165347	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"717339"	339.248897	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1464599"	121.081797	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1055658"	81.0569566666667	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1261709"	251.200586	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"379191"	475.297358	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"743465"	693.464458	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1543694"	257.130258	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+K"	38.963158
"307066"	238.152317	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"692195"	347.235867	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1446502"	129.068767	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"240823"	478.368026	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1216814"	260.200926	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1203978"	130.604101	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"199036"	481.30536	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"639690"	699.47246	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1145753"	263.13826	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"186124"	241.156318	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"625322"	350.239868	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1125183"	132.072768	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1411623"	88.3842706666667	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1442648"	265.179846	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"233438"	246.18934	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1522228"	279.23189	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"420455"	249.143288	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"780356"	358.226838	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1679608"	140.059738	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"264301"	500.349968	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1235917"	282.182868	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1721526"	282.206393	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1185788"	95.7115846666667	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1658960"	287.161788	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"162540"	513.25324	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"602102"	731.42034	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1086614"	295.08614	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"142455"	257.130258	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"581811"	366.213808	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1068823"	148.046708	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1103992"	297.100692	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1336853"	297.188307	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1010002"	301.227476	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1529222"	302.221108	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"994576"	151.117376	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1593451"	303.135728	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1421297"	333.167238	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1148672"	171.630651	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1701140"	350.193785	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1636791"	355.14918	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1586660"	371.12312	"C19677"	"Germacra-1(10)411(13)-trien-12-al"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"815573"	234.162	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M"	0
"988741"	215.14361	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"72243"	155.100724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"515086"	233.154724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"887423"	77.046724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"3810"	233.154724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"443005"	350.235724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"821173"	116.073724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"79459"	467.316724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"519380"	701.478724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"898892"	233.154724	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"48647"	484.343271	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"488694"	718.505271	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"866009"	250.181271	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"32449"	489.298666	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"473473"	723.460666	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"849450"	255.136666	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1628345"	255.136666	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"108155"	251.143063	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"549378"	368.224063	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"932481"	134.062063	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"277599"	503.293402	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"668927"	737.455402	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1279143"	269.131402	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"31176"	505.272606	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"470387"	739.434606	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"846729"	271.110606	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1568028"	271.110606	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"957740"	279.160194	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"377082"	513.322201	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"361356"	527.337851	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1505754"	293.175851	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"970014"	301.142151	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"122202"	269.131402	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"562855"	386.212402	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1028375"	152.050402	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1249047"	313.080885	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1313683"	315.136872	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1332273"	337.118829	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"924426"	347.147586	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1301133"	383.124264	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1382096"	199.149324	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1397521"	217.1593	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"292104"	469.331276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"690722"	703.493276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1366594"	235.169276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H"	1.007276
"140334"	235.169276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"580617"	352.250276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1051241"	118.088276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"218543"	157.115276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"659850"	235.169276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1178218"	79.061276	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"439705"	486.357823	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"800011"	720.519823	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1695975"	252.195823	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"344257"	243.6825495	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"738017"	360.7635495	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1487218"	126.6015495	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"404805"	491.313218	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"767622"	725.475218	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1616084"	257.151218	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"323935"	246.160247	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"711982"	363.241247	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1469083"	129.079247	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1061236"	86.38859	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1267287"	267.195486	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"379665"	507.287158	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"743575"	741.449158	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1543803"	273.125158	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+K"	38.963158
"304989"	254.147217	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"692302"	371.228217	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1445704"	137.066217	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"244215"	510.357826	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1216924"	276.195826	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1204088"	138.601551	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"198054"	513.29516	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"640895"	747.45716	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1145983"	279.13316	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"187938"	257.151218	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"626159"	374.232218	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1129666"	140.070218	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1411005"	93.715904	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1444338"	281.174746	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"234887"	262.18424	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1523066"	295.22679	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"420566"	265.138188	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"784723"	382.219188	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1680328"	148.057188	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"266236"	532.339768	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1237854"	298.177768	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1722732"	298.201293	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1186992"	101.043218	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1655789"	303.156688	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"163743"	545.24304	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"602212"	779.40504	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1087819"	311.08104	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"149010"	273.125158	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"588571"	390.206158	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1080738"	156.044158	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1111761"	313.095592	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1347052"	313.183207	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1013392"	317.222376	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1531521"	318.216008	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"994687"	159.114826	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1590285"	319.130628	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1421411"	349.162138	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1159355"	179.628101	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1703437"	366.188685	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1636901"	371.14408	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1586770"	387.11802	"C19678"	"Germacrene A acid;Germacra-1(10)411(13)-trien-12-oate"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"813856"	178.0477	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M"	0
"985205"	159.02931	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"69073"	117.691190666667	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"508634"	177.040424	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"891904"	58.3419573333333	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"8294"	177.040424	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"443116"	266.064274	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"819824"	88.016574	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"80178"	355.088124	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"519495"	533.135824	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"898636"	177.040424	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51189"	372.114671	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"489654"	550.162371	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"868186"	194.066971	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"31643"	377.070066	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"473462"	555.117766	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"849196"	199.022366	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1628455"	199.022366	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"108265"	195.028763	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"545638"	284.052613	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"931498"	106.004913	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"274429"	391.064802	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"662476"	569.112502	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1277067"	213.017102	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"30939"	393.044006	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"470497"	571.091706	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"845746"	214.996306	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1569231"	214.996306	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"958256"	223.045894	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"376993"	401.093601	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"361348"	415.109251	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1508244"	237.061551	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"973165"	245.027851	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"124947"	213.017102	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"562965"	302.040952	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1028485"	123.993252	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1249157"	256.966585	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1313793"	259.022572	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1332383"	281.004529	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"923443"	291.033286	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1301243"	327.009964	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1381594"	143.035024	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1395810"	161.045	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"295494"	357.102676	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"691196"	535.150376	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1366877"	179.054976	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"140443"	179.054976	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"581054"	268.078826	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1051958"	90.031126	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"219343"	119.705742666667	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"659675"	179.054976	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1178049"	60.3565093333333	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"439897"	374.129223	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"801057"	552.176923	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1696580"	196.081523	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"344733"	187.5682495	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"735698"	276.5920995	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1490612"	98.5443995	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"404915"	379.084618	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"764816"	557.132318	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1612914"	201.036918	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"321858"	190.045947	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"711000"	279.069797	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1469194"	101.022097	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1060252"	67.6838233333333	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1264118"	211.081186	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"384877"	395.058558	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"749152"	573.106258	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1543185"	217.010858	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"304006"	198.032917	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"692174"	287.056767	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1446234"	109.009067	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"242138"	398.129226	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1219221"	220.081526	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1204198"	110.544401	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"200351"	401.06656	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"642099"	579.11426	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1146215"	223.01886	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"187682"	201.036918	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"624083"	290.060768	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1131306"	112.013068	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1412209"	75.0111373333333	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1442139"	225.060446	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"234022"	206.06994	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1522083"	239.11249	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"422862"	209.023888	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"785440"	298.047738	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1681042"	120.000038	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"265982"	420.111168	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1239056"	242.063468	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1722842"	242.086993	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1187102"	82.3384513333333	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1654806"	247.042388	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"164947"	433.01444	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"602322"	611.06214	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1091209"	254.96674	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"149120"	217.010858	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"590868"	306.034708	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1081941"	127.987008	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1113936"	256.981292	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1347162"	257.068907	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1013502"	261.108076	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1534911"	262.101708	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1000264"	131.057676	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1592582"	263.016328	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1423708"	293.047838	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1160558"	151.570951	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1702454"	310.074385	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1637011"	315.02978	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1586880"	331.00372	"C19679"	"L-Sorbosone;1-Dehydro-L-sorbose"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"812873"	150.0793	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M"	0
"988231"	131.06091	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-H2O-H"	-19.01839
"69183"	99.0455906666667	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M-3H"	-3.021828
"509837"	149.072024	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M-3H"	-3.021828
"886550"	49.0191573333333	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-3H"	-3.021828
"748"	149.072024	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M-2H"	-2.014552
"441767"	224.111674	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M-2H"	-2.014552
"819206"	74.032374	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-2H"	-2.014552
"79073"	299.151324	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M-H"	-1.007276
"518594"	449.230624	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M-H"	-1.007276
"895740"	149.072024	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-H"	-1.007276
"47140"	316.177871	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M-2H+NH4"	16.019271
"487455"	466.257171	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M-2H+NH4"	16.019271
"865137"	166.098571	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-2H+NH4"	16.019271
"31819"	321.133266	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M-2H+Na"	20.974666
"472477"	471.212566	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M-2H+Na"	20.974666
"848612"	171.053966	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-2H+Na"	20.974666
"1618718"	171.053966	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Na-2H"	20.974666
"94438"	167.060363	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M-H+Cl"	33.962126
"542467"	242.100013	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M-H+Cl"	33.962126
"931608"	92.020713	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-H+Cl"	33.962126
"272352"	335.128002	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+Cl"	34.969402
"662584"	485.207302	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+Cl"	34.969402
"1273894"	185.048702	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Cl"	34.969402
"29583"	337.107206	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M-2H+K"	36.948606
"469150"	487.186506	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M-2H+K"	36.948606
"845856"	187.027906	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-2H+K"	36.948606
"1567155"	187.027906	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+K-2H"	36.948606
"957228"	195.077494	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-H+HCOOH"	44.998194
"377015"	345.156801	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+HCOOH-H"	44.998201
"361360"	359.172451	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+Hac-H"	59.013851
"1507314"	209.093151	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Hac-H"	59.013851
"973154"	217.059451	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-H+NaCOOH"	66.980151
"124976"	185.048702	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+2Cl"	69.938804
"563441"	260.088352	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+2Cl"	69.938804
"1028595"	110.009052	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2Cl"	69.938804
"1249267"	228.998185	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Br"	78.918885
"1317915"	231.054172	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Cl+HCOOH"	80.974872
"1334565"	253.036129	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Cl+NaCOOH"	102.956829
"922460"	263.064886	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M-H+CF3COOH"	112.985586
"1302450"	299.041564	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Cl+CF3COOH"	148.962264
"1380611"	115.066624	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H-2H2O"	-35.012676
"1394827"	133.0766	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H-H2O"	-17.0027
"296700"	301.165876	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+H"	1.007276
"685839"	451.245176	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+H"	1.007276
"1362187"	151.086576	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H"	1.007276
"141237"	151.086576	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+2H"	2.014552
"579743"	226.126226	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+2H"	2.014552
"1050002"	76.046926	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2H"	2.014552
"219371"	101.060142666667	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+3H"	3.021828
"659661"	151.086576	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+3H"	3.021828
"1176331"	51.0337093333333	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+3H"	3.021828
"439237"	318.192423	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+NH4"	18.033823
"800476"	468.271723	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+NH4"	18.033823
"1696200"	168.113123	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+NH4"	18.033823
"341199"	159.5998495	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+H+NH4"	19.041099
"734714"	234.6394995	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+H+NH4"	19.041099
"1490356"	84.5601995	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H+NH4"	19.041099
"404660"	323.147818	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+Na"	22.989218
"764927"	473.227118	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+Na"	22.989218
"1611932"	173.068518	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Na"	22.989218
"315405"	162.077547	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+H+Na"	23.996494
"708194"	237.117197	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+H+Na"	23.996494
"1462743"	87.037897	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H+Na"	23.996494
"1061456"	58.3610233333333	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2H+Na"	25.00377
"1266049"	183.112786	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+CH3OH+H"	33.033486
"384987"	339.121758	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+K"	38.963158
"747075"	489.201058	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+K"	38.963158
"1541108"	189.042458	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+K"	38.963158
"301199"	170.064517	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+H+K"	39.970434
"693987"	245.104167	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+H+K"	39.970434
"1445897"	95.024867	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H+K"	39.970434
"242248"	342.192426	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+ACN+H"	42.033826
"1217144"	192.113126	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+ACN+H"	42.033826
"1202121"	96.560201	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+ACN+2H"	43.041102
"202648"	345.12976	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+2Na-H"	44.97116
"641115"	495.20906	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+2Na-H"	44.97116
"1147004"	195.05046	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2Na-H"	44.97116
"186820"	173.068518	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+2Na"	45.978436
"624193"	248.108168	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+2Na"	45.978436
"1128793"	98.028868	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2Na"	45.978436
"1410133"	65.6883373333333	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H+2Na"	46.985712
"1442249"	197.092046	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H+HCOOH"	47.012746
"231946"	178.10154	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+3H2O+2H"	56.04448
"1520006"	211.14409	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+IsoProp+H"	61.06479
"421879"	181.055488	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+Na+K"	61.952376
"785621"	256.095138	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+Na+K"	61.952376
"1680949"	106.015838	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Na+K"	61.952376
"265726"	364.174368	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+ACN+Na"	64.015768
"1237343"	214.095068	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+ACN+Na"	64.015768
"1726232"	214.118593	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+NH4+HCOOH"	64.039293
"1188305"	73.0156513333333	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+3Na"	68.967654
"1656010"	219.073988	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Na+HCOOH"	68.994688
"166152"	377.07764	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+2K-H"	76.91904
"603525"	527.15694	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+2K-H"	76.91904
"1093507"	226.99834	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2K-H"	76.91904
"149231"	189.042458	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"2M+2K"	77.926316
"595963"	264.082108	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"3M+2K"	77.926316
"1083512"	114.002808	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2K"	77.926316
"1113074"	229.012892	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2K+H"	78.933592
"1349462"	229.100507	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+DMSO+H"	79.021207
"1020787"	233.139676	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2ACN+H"	83.060376
"1538180"	234.133308	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+IsoProp+Na+H"	84.054008
"1000374"	117.073476	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+2ACN+2H"	84.067652
"1592692"	235.047928	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+K+HCOOH"	84.968628
"1423818"	265.079438	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+H+CF3COOH"	115.000138
"1159575"	137.586751	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+3ACN+2H"	125.094202
"1702564"	282.105985	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+NH4+CF3COOH"	132.026685
"1637121"	287.06138	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+Na+CF3COOH"	136.98208
"1586990"	303.03532	"C19680"	"NN-Dimethyl-4-nitrosoaniline;Accelerine"	"C8H10N2O"	"150.0793"	"M+K+CF3COOH"	152.95602
"812983"	152.095	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M"	0
"979955"	133.07661	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-H2O-H"	-19.01839
"69293"	100.389390666667	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M-3H"	-3.021828
"509947"	151.087724	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M-3H"	-3.021828
"886659"	49.6910573333333	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-3H"	-3.021828
"3047"	151.087724	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M-2H"	-2.014552
"443698"	227.135224	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M-2H"	-2.014552
"820409"	75.040224	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-2H"	-2.014552
"80035"	303.182724	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M-H"	-1.007276
"518854"	455.277724	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M-H"	-1.007276
"895805"	151.087724	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-H"	-1.007276
"47344"	320.209271	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M-2H+NH4"	16.019271
"488050"	472.304271	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M-2H+NH4"	16.019271
"864758"	168.114271	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-2H+NH4"	16.019271
"32661"	325.164666	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M-2H+Na"	20.974666
"472221"	477.259666	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M-2H+Na"	20.974666
"850024"	173.069666	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-2H+Na"	20.974666
"1619923"	173.069666	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Na-2H"	20.974666
"97181"	169.076063	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M-H+Cl"	33.962126
"541483"	245.123563	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M-H+Cl"	33.962126
"929529"	93.028563	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-H+Cl"	33.962126
"269543"	339.159402	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+Cl"	34.969402
"662692"	491.254402	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+Cl"	34.969402
"1274732"	187.064402	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Cl"	34.969402
"28598"	341.138606	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M-2H+K"	36.948606
"465971"	493.233606	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M-2H+K"	36.948606
"845960"	189.043606	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-2H+K"	36.948606
"1555797"	189.043606	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+K-2H"	36.948606
"945302"	197.093194	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-H+HCOOH"	44.998194
"375185"	349.188201	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+HCOOH-H"	44.998201
"360165"	363.203851	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+Hac-H"	59.013851
"1506815"	211.108851	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Hac-H"	59.013851
"972413"	219.075151	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-H+NaCOOH"	66.980151
"124358"	187.064402	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+2Cl"	69.938804
"565377"	263.111902	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+2Cl"	69.938804
"1031984"	111.016902	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2Cl"	69.938804
"1248284"	231.013885	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Br"	78.918885
"1310733"	233.069872	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Cl+HCOOH"	80.974872
"1329323"	255.051829	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Cl+NaCOOH"	102.956829
"921475"	265.080586	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M-H+CF3COOH"	112.985586
"1294903"	301.057264	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Cl+CF3COOH"	148.962264
"1375251"	117.082324	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H-2H2O"	-35.012676
"1392748"	135.0923	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H-H2O"	-17.0027
"289153"	305.197276	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+H"	1.007276
"684854"	457.292276	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+H"	1.007276
"1359017"	153.102276	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H"	1.007276
"140414"	153.102276	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+2H"	2.014552
"581073"	229.149776	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+2H"	2.014552
"1051084"	77.054776	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2H"	2.014552
"214732"	102.403942666667	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+3H"	3.021828
"649918"	153.102276	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+3H"	3.021828
"1177401"	51.7056093333333	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+3H"	3.021828
"437879"	322.223823	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+NH4"	18.033823
"800705"	474.318823	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+NH4"	18.033823
"1695578"	170.128823	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+NH4"	18.033823
"343129"	161.6155495	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+H+NH4"	19.041099
"735549"	237.6630495	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+H+NH4"	19.041099
"1490461"	85.5680495	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H+NH4"	19.041099
"405132"	327.179218	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+Na"	22.989218
"758475"	479.274218	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+Na"	22.989218
"1607666"	175.084218	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Na"	22.989218
"318797"	164.093247	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+H+Na"	23.996494
"711218"	240.140747	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+H+Na"	23.996494
"1461758"	88.045747	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H+Na"	23.996494
"1060468"	59.0329233333333	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2H+Na"	25.00377
"1265426"	185.128486	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+CH3OH+H"	33.033486
"384000"	343.153158	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+K"	38.963158
"742808"	495.248158	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+K"	38.963158
"1544862"	191.058158	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+K"	38.963158
"303130"	172.080217	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+H+K"	39.970434
"694824"	248.127717	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+H+K"	39.970434
"1445720"	96.032717	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H+K"	39.970434
"238346"	346.223826	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+ACN+H"	42.033826
"1213606"	194.128826	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+ACN+H"	42.033826
"1197123"	97.568051	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+ACN+2H"	43.041102
"192183"	349.16116	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+2Na-H"	44.97116
"632839"	501.25616	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+2Na-H"	44.97116
"1143636"	197.06616	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2Na-H"	44.97116
"181459"	175.084218	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+2Na"	45.978436
"624300"	251.131718	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+2Na"	45.978436
"1127808"	99.036718	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2Na"	45.978436
"1407691"	66.3602373333333	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H+2Na"	46.985712
"1438349"	199.107746	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H+HCOOH"	47.012746
"228408"	180.11724	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+3H2O+2H"	56.04448
"1515742"	213.15979	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+IsoProp+H"	61.06479
"416522"	183.071188	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+Na+K"	61.952376
"776422"	259.118688	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+Na+K"	61.952376
"1672754"	107.023688	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Na+K"	61.952376
"258180"	368.205768	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+ACN+Na"	64.015768
"1228700"	216.110768	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+ACN+Na"	64.015768
"1720508"	216.134293	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+NH4+HCOOH"	64.039293
"1186228"	73.6875513333333	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+3Na"	68.967654
"1652110"	221.089688	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Na+HCOOH"	68.994688
"165896"	381.10904	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+2K-H"	76.91904
"598892"	533.20404	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+2K-H"	76.91904
"1090335"	229.01404	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2K-H"	76.91904
"143870"	191.058158	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"2M+2K"	77.926316
"581604"	267.105658	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"3M+2K"	77.926316
"1069150"	115.010658	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2K"	77.926316
"1100000"	231.028592	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2K+H"	78.933592
"1340820"	231.116207	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+DMSO+H"	79.021207
"1008256"	235.155376	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2ACN+H"	83.060376
"1528569"	236.149008	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+IsoProp+Na+H"	84.054008
"993193"	118.081326	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+2ACN+2H"	84.067652
"1590612"	237.063628	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+K+HCOOH"	84.968628
"1417364"	267.095138	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+H+CF3COOH"	115.000138
"1147406"	138.594601	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+3ACN+2H"	125.094202
"1697104"	284.121685	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+NH4+CF3COOH"	132.026685
"1634272"	289.07708	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+Na+CF3COOH"	136.98208
"1577257"	305.05102	"C19681"	"4-(Hydroxylamino)-NN-dimethylaniline;4-(Dimethylamino)-N-hydroxyaniline"	"C8H12N2O"	"152.095"	"M+K+CF3COOH"	152.95602
"814186"	893.1469	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M"	0
"980065"	874.12851	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H2O-H"	-19.01839
"71590"	594.423990666667	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-3H"	-3.021828
"512244"	892.139624	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-3H"	-3.021828
"890049"	296.708357333333	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-3H"	-3.021828
"4249"	892.139624	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H"	-2.014552
"442715"	1338.713074	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H"	-2.014552
"821612"	445.566174	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H"	-2.014552
"80266"	1785.286524	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-H"	-1.007276
"520797"	2678.433424	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-H"	-1.007276
"896898"	892.139624	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H"	-1.007276
"48844"	1802.313071	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+NH4"	16.019271
"488769"	2695.459971	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+NH4"	16.019271
"865720"	909.166171	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+NH4"	16.019271
"34959"	1807.268466	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+Na"	20.974666
"472452"	2700.415366	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+Na"	20.974666
"850498"	914.121566	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+Na"	20.974666
"1623681"	914.121566	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na-2H"	20.974666
"96926"	910.127963	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-H+Cl"	33.962126
"540500"	1356.701413	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-H+Cl"	33.962126
"934014"	463.554513	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+Cl"	33.962126
"271478"	1821.263202	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Cl"	34.969402
"664260"	2714.410102	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Cl"	34.969402
"1274108"	928.116302	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl"	34.969402
"27615"	1823.242406	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M-2H+K"	36.948606
"462801"	2716.389306	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M-2H+K"	36.948606
"841697"	930.095506	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-2H+K"	36.948606
"1557893"	930.095506	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K-2H"	36.948606
"948693"	938.145094	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+HCOOH"	44.998194
"374931"	1831.292001	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+HCOOH-H"	44.998201
"359547"	1845.307651	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Hac-H"	59.013851
"1505103"	952.160751	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Hac-H"	59.013851
"971915"	960.127051	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+NaCOOH"	66.980151
"125198"	928.116302	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Cl"	69.938804
"563663"	1374.689752	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Cl"	69.938804
"1032094"	481.542852	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Cl"	69.938804
"1245113"	972.065785	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Br"	78.918885
"1311936"	974.121772	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+HCOOH"	80.974872
"1326153"	996.103729	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+NaCOOH"	102.956829
"915024"	1006.132486	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M-H+CF3COOH"	112.985586
"1293919"	1042.109164	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Cl+CF3COOH"	148.962264
"1373174"	858.134224	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H-2H2O"	-35.012676
"1390672"	876.1442	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H-H2O"	-17.0027
"294731"	1787.301076	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H"	1.007276
"681684"	2680.447976	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H"	1.007276
"1359127"	894.154176	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H"	1.007276
"139307"	894.154176	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2H"	2.014552
"578873"	1340.727626	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2H"	2.014552
"1049130"	447.580726	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2H"	2.014552
"214842"	596.438542666667	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+3H"	3.021828
"648935"	894.154176	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+3H"	3.021828
"1176175"	298.722909333333	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3H"	3.021828
"437625"	1804.327623	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+NH4"	18.033823
"800572"	2697.474523	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+NH4"	18.033823
"1696417"	911.180723	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4"	18.033823
"343600"	902.6674495	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+NH4"	19.041099
"731648"	1349.2408995	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+NH4"	19.041099
"1490935"	456.0939995	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+NH4"	19.041099
"400869"	1809.283018	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Na"	22.989218
"758585"	2702.429918	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Na"	22.989218
"1607776"	916.136118	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na"	22.989218
"315991"	905.145147	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+Na"	23.996494
"711328"	1351.718597	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+Na"	23.996494
"1461868"	458.571697	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+Na"	23.996494
"1058392"	306.050223333333	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2H+Na"	25.00377
"1263350"	926.180386	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+CH3OH+H"	33.033486
"381924"	1825.256958	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+K"	38.963158
"742918"	2718.403858	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+K"	38.963158
"1541446"	932.110058	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K"	38.963158
"304333"	913.132117	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+H+K"	39.970434
"694571"	1359.705567	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+H+K"	39.970434
"1446930"	466.558667	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+K"	39.970434
"237117"	1828.327626	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+ACN+H"	42.033826
"1211893"	935.180726	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+H"	42.033826
"1196869"	468.094001	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+2H"	43.041102
"191200"	1831.26496	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Na-H"	44.97116
"631127"	2724.41186	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Na-H"	44.97116
"1142653"	938.11806	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Na-H"	44.97116
"179747"	916.136118	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2Na"	45.978436
"622223"	1362.709568	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2Na"	45.978436
"1125732"	469.562668	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2Na"	45.978436
"1406708"	313.377537333333	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+2Na"	46.985712
"1437001"	940.159646	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+HCOOH"	47.012746
"228880"	921.16914	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+3H2O+2H"	56.04448
"1517674"	954.21169	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+IsoProp+H"	61.06479
"412624"	924.123088	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+Na+K"	61.952376
"777625"	1370.696538	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+Na+K"	61.952376
"1672863"	477.549638	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+K"	61.952376
"258290"	1850.309568	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+ACN+Na"	64.015768
"1229903"	957.162668	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+ACN+Na"	64.015768
"1716238"	957.186193	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4+HCOOH"	64.039293
"1185244"	320.704851333333	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3Na"	68.967654
"1655136"	962.141588	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+HCOOH"	68.994688
"158108"	1863.21284	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2K-H"	76.91904
"597663"	2756.35974	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2K-H"	76.91904
"1088259"	970.06594	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K-H"	76.91904
"142156"	932.110058	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"2M+2K"	77.926316
"582200"	1378.683508	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"3M+2K"	77.926316
"1069143"	485.536608	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K"	77.926316
"1100313"	972.080492	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2K+H"	78.933592
"1339836"	972.168107	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+DMSO+H"	79.021207
"1006542"	976.207276	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2ACN+H"	83.060376
"1528679"	977.200908	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+IsoProp+Na+H"	84.054008
"992938"	488.607276	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+2ACN+2H"	84.067652
"1588047"	978.115528	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K+HCOOH"	84.968628
"1415651"	1008.147038	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+H+CF3COOH"	115.000138
"1147313"	509.120551	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+3ACN+2H"	125.094202
"1697092"	1025.173585	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+NH4+CF3COOH"	132.026685
"1634225"	1030.12898	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+Na+CF3COOH"	136.98208
"1577367"	1046.10292	"C19682"	"34-Didehydroadipyl-CoA;cis-34-Dehydroadipyl-CoA"	"C27H42N7O19P3S"	"893.1469"	"M+K+CF3COOH"	152.95602
"814296"	877.152	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M"	0
"981268"	858.13361	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-H2O-H"	-19.01839
"70606"	583.760724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M-3H"	-3.021828
"510166"	876.144724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M-3H"	-3.021828
"890159"	291.376724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-3H"	-3.021828
"5452"	876.144724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M-2H"	-2.014552
"443919"	1314.720724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M-2H"	-2.014552
"820629"	437.568724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-2H"	-2.014552
"79891"	1753.296724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M-H"	-1.007276
"522367"	2630.448724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M-H"	-1.007276
"897010"	876.144724	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-H"	-1.007276
"49319"	1770.323271	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M-2H+NH4"	16.019271
"488879"	2647.475271	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M-2H+NH4"	16.019271
"866316"	893.171271	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-2H+NH4"	16.019271
"34705"	1775.278666	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M-2H+Na"	20.974666
"472074"	2652.430666	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M-2H+Na"	20.974666
"850972"	898.126666	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-2H+Na"	20.974666
"1624520"	898.126666	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Na-2H"	20.974666
"96428"	894.133063	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M-H+Cl"	33.962126
"540610"	1332.709063	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M-H+Cl"	33.962126
"934124"	455.557063	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-H+Cl"	33.962126
"272316"	1789.273402	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+Cl"	34.969402
"663278"	2666.425402	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+Cl"	34.969402
"1273975"	912.121402	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Cl"	34.969402
"25538"	1791.252606	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M-2H+K"	36.948606
"462911"	2668.404606	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M-2H+K"	36.948606
"843993"	914.100606	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-2H+K"	36.948606
"1556545"	914.100606	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+K-2H"	36.948606
"948803"	922.150194	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-H+HCOOH"	44.998194
"375406"	1799.302201	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+HCOOH-H"	44.998201
"360628"	1813.317851	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+Hac-H"	59.013851
"1503024"	936.165851	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Hac-H"	59.013851
"968377"	944.132151	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-H+NaCOOH"	66.980151
"123480"	912.121402	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+2Cl"	69.938804
"565351"	1350.697402	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+2Cl"	69.938804
"1026737"	473.545402	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2Cl"	69.938804
"1243035"	956.070885	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Br"	78.918885
"1310953"	958.126872	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Cl+HCOOH"	80.974872
"1326263"	980.108829	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Cl+NaCOOH"	102.956829
"918413"	990.137586	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M-H+CF3COOH"	112.985586
"1292935"	1026.114264	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Cl+CF3COOH"	148.962264
"1371097"	842.139324	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H-2H2O"	-35.012676
"1390782"	860.1493	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H-H2O"	-17.0027
"291561"	1755.311276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+H"	1.007276
"685074"	2632.463276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+H"	1.007276
"1360330"	878.159276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H"	1.007276
"139052"	878.159276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+2H"	2.014552
"580075"	1316.735276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+2H"	2.014552
"1048874"	439.583276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2H"	2.014552
"214952"	585.775276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+3H"	3.021828
"649045"	878.159276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+3H"	3.021828
"1176528"	293.391276	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+3H"	3.021828
"438707"	1772.337823	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+NH4"	18.033823
"801045"	2649.489823	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+NH4"	18.033823
"1696893"	895.185823	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+NH4"	18.033823
"343709"	886.6725495	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+H+NH4"	19.041099
"736861"	1325.2485495	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+H+NH4"	19.041099
"1491045"	448.0965495	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H+NH4"	19.041099
"402072"	1777.293218	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+Na"	22.989218
"758695"	2654.445218	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+Na"	22.989218
"1607886"	900.141218	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Na"	22.989218
"315129"	889.150247	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+H+Na"	23.996494
"709251"	1327.726247	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+H+Na"	23.996494
"1464163"	450.574247	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H+Na"	23.996494
"1060688"	300.71859	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2H+Na"	25.00377
"1265646"	910.185486	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+CH3OH+H"	33.033486
"387501"	1793.267158	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+K"	38.963158
"745216"	2670.419158	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+K"	38.963158
"1542163"	916.115158	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+K"	38.963158
"300071"	897.137217	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+H+K"	39.970434
"697960"	1335.713217	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+H+K"	39.970434
"1447407"	458.561217	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H+K"	39.970434
"237836"	1796.337826	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+ACN+H"	42.033826
"1212732"	919.185826	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+ACN+H"	42.033826
"1198437"	460.096551	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+ACN+2H"	43.041102
"191674"	1799.27516	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+2Na-H"	44.97116
"635245"	2676.42716	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+2Na-H"	44.97116
"1140577"	922.12316	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2Na-H"	44.97116
"182772"	900.141218	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+2Na"	45.978436
"621239"	1338.717218	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+2Na"	45.978436
"1128027"	461.565218	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2Na"	45.978436
"1408275"	308.045904	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H+2Na"	46.985712
"1441484"	924.164746	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H+HCOOH"	47.012746
"231177"	905.17424	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+3H2O+2H"	56.04448
"1519241"	938.21679	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+IsoProp+H"	61.06479
"420385"	908.128188	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+Na+K"	61.952376
"782107"	1346.704188	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+Na+K"	61.952376
"1674430"	469.552188	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Na+K"	61.952376
"261678"	1818.319768	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+ACN+Na"	64.015768
"1230378"	941.167768	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+ACN+Na"	64.015768
"1716348"	941.191293	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+NH4+HCOOH"	64.039293
"1182072"	315.373218	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+3Na"	68.967654
"1651595"	946.146688	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Na+HCOOH"	68.994688
"157648"	1831.22304	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+2K-H"	76.91904
"597490"	2708.37504	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+2K-H"	76.91904
"1091648"	954.07104	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2K-H"	76.91904
"143360"	916.115158	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"2M+2K"	77.926316
"582311"	1354.691158	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"3M+2K"	77.926316
"1069618"	477.539158	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2K"	77.926316
"1100149"	956.085592	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2K+H"	78.933592
"1342132"	956.173207	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+DMSO+H"	79.021207
"1008475"	960.212376	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2ACN+H"	83.060376
"1527693"	961.206008	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+IsoProp+Na+H"	84.054008
"996327"	480.609826	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+2ACN+2H"	84.067652
"1588278"	962.120628	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+K+HCOOH"	84.968628
"1417217"	992.152138	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+H+CF3COOH"	115.000138
"1148234"	501.123101	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+3ACN+2H"	125.094202
"1697785"	1009.178685	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+NH4+CF3COOH"	132.026685
"1634573"	1014.13408	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+Na+CF3COOH"	136.98208
"1577477"	1030.10802	"C19683"	"34-Didehydroadipyl-CoA semialdehyde;cis-34-Dehydroadipyl-CoA semialdehyde"	"C27H42N7O18P3S"	"877.152"	"M+K+CF3COOH"	152.95602
"814406"	905.1469	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M"	0
"980285"	886.12851	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-H2O-H"	-19.01839
"71810"	602.423990666667	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M-3H"	-3.021828
"513559"	904.139624	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M-3H"	-3.021828
"886989"	300.708357333333	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-3H"	-3.021828
"2283"	904.139624	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M-2H"	-2.014552
"440504"	1356.713074	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M-2H"	-2.014552
"819647"	451.566174	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-2H"	-2.014552
"81826"	1809.286524	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M-H"	-1.007276
"521385"	2714.433424	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M-H"	-1.007276
"896999"	904.139624	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-H"	-1.007276
"48580"	1826.313071	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M-2H+NH4"	16.019271
"488503"	2731.459971	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M-2H+NH4"	16.019271
"865334"	921.166171	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-2H+NH4"	16.019271
"34450"	1831.268466	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M-2H+Na"	20.974666
"471657"	2736.415366	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M-2H+Na"	20.974666
"850353"	926.121566	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-2H+Na"	20.974666
"1621714"	926.121566	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Na-2H"	20.974666
"97146"	922.127963	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M-H+Cl"	33.962126
"544000"	1374.701413	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M-H+Cl"	33.962126
"933141"	469.554513	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-H+Cl"	33.962126
"270600"	1845.263202	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+Cl"	34.969402
"663385"	2750.410102	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+Cl"	34.969402
"1275058"	940.116302	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Cl"	34.969402
"25648"	1847.242406	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M-2H+K"	36.948606
"464114"	2752.389306	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M-2H+K"	36.948606
"844103"	942.095506	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-2H+K"	36.948606
"1557748"	942.095506	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+K-2H"	36.948606
"950006"	950.145094	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-H+HCOOH"	44.998194
"374787"	1855.292001	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+HCOOH-H"	44.998201
"359401"	1869.307651	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+Hac-H"	59.013851
"1507143"	964.160751	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Hac-H"	59.013851
"973718"	972.127051	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-H+NaCOOH"	66.980151
"117393"	940.116302	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+2Cl"	69.938804
"563514"	1392.689752	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+2Cl"	69.938804
"1026847"	487.542852	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2Cl"	69.938804
"1243146"	984.065785	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Br"	78.918885
"1311063"	986.121772	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Cl+HCOOH"	80.974872
"1327466"	1008.103729	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Cl+NaCOOH"	102.956829
"915243"	1018.132486	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M-H+CF3COOH"	112.985586
"1290857"	1054.109164	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Cl+CF3COOH"	148.962264
"1371207"	870.134224	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H-2H2O"	-35.012676
"1393078"	888.1442	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H-H2O"	-17.0027
"293857"	1811.301076	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+H"	1.007276
"686277"	2716.447976	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+H"	1.007276
"1360440"	906.154176	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H"	1.007276
"138074"	906.154176	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+2H"	2.014552
"578362"	1358.727626	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+2H"	2.014552
"1043880"	453.580726	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2H"	2.014552
"214698"	604.438542666667	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+3H"	3.021828
"649155"	906.154176	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+3H"	3.021828
"1176032"	302.722909333333	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+3H"	3.021828
"437117"	1828.327623	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+NH4"	18.033823
"800306"	2733.474523	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+NH4"	18.033823
"1694817"	923.180723	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+NH4"	18.033823
"343454"	914.6674495	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+H+NH4"	19.041099
"735879"	1367.2408995	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+H+NH4"	19.041099
"1489699"	462.0939995	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H+NH4"	19.041099
"399995"	1833.283018	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+Na"	22.989218
"758805"	2738.429918	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+Na"	22.989218
"1606904"	928.136118	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Na"	22.989218
"316941"	917.145147	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+H+Na"	23.996494
"712640"	1369.718597	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+H+Na"	23.996494
"1466460"	464.571697	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H+Na"	23.996494
"1061891"	310.050223333333	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2H+Na"	25.00377
"1262476"	938.180386	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+CH3OH+H"	33.033486
"383237"	1849.256958	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+K"	38.963158
"741315"	2754.403858	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+K"	38.963158
"1541179"	944.110058	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+K"	38.963158
"300545"	925.132117	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+H+K"	39.970434
"698070"	1377.705567	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+H+K"	39.970434
"1449704"	472.558667	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H+K"	39.970434
"237946"	1852.327626	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+ACN+H"	42.033826
"1214300"	947.180726	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+ACN+H"	42.033826
"1199276"	474.094001	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+ACN+2H"	43.041102
"192148"	1855.26496	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+2Na-H"	44.97116
"635355"	2760.41186	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+2Na-H"	44.97116
"1141780"	950.11806	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2Na-H"	44.97116
"182882"	928.136118	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+2Na"	45.978436
"621350"	1380.709568	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+2Na"	45.978436
"1128137"	475.562668	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2Na"	45.978436
"1410207"	317.377537333333	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H+2Na"	46.985712
"1440499"	952.159646	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H+HCOOH"	47.012746
"232745"	933.16914	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+3H2O+2H"	56.04448
"1520443"	966.21169	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+IsoProp+H"	61.06479
"420858"	936.123088	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+Na+K"	61.952376
"782217"	1388.696538	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+Na+K"	61.952376
"1676362"	483.549638	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Na+K"	61.952376
"260694"	1874.309568	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+ACN+Na"	64.015768
"1231581"	969.162668	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+ACN+Na"	64.015768
"1714998"	969.186193	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+NH4+HCOOH"	64.039293
"1180358"	324.704851333333	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+3Na"	68.967654
"1651708"	974.141588	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Na+HCOOH"	68.994688
"160027"	1887.21284	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+2K-H"	76.91904
"597315"	2792.35974	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+2K-H"	76.91904
"1090665"	982.06594	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2K-H"	76.91904
"143106"	944.110058	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"2M+2K"	77.926316
"582542"	1396.683508	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"3M+2K"	77.926316
"1069485"	491.536608	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2K"	77.926316
"1099929"	984.080492	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2K+H"	78.933592
"1341149"	984.168107	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+DMSO+H"	79.021207
"1008585"	988.207276	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2ACN+H"	83.060376
"1528896"	989.200908	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+IsoProp+Na+H"	84.054008
"996437"	494.607276	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+2ACN+2H"	84.067652
"1588388"	990.115528	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+K+HCOOH"	84.968628
"1416599"	1020.147038	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+H+CF3COOH"	115.000138
"1147254"	515.120551	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+3ACN+2H"	125.094202
"1697532"	1037.173585	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+NH4+CF3COOH"	132.026685
"1634401"	1042.12898	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+Na+CF3COOH"	136.98208
"1577587"	1058.10292	"C19684"	"23-Dihydro-23-dihydroxybenzoyl-CoA"	"C28H42N7O19P3S"	"905.1469"	"M+K+CF3COOH"	152.95602
"814516"	889.0826	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M"	0
"980395"	870.06421	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-H2O-H"	-19.01839
"69732"	591.714457333333	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M-3H"	-3.021828
"513669"	888.075324	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M-3H"	-3.021828
"887099"	295.353590666667	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-3H"	-3.021828
"2392"	888.075324	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M-2H"	-2.014552
"442317"	1332.616624	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M-2H"	-2.014552
"817927"	443.534024	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-2H"	-2.014552
"80474"	1777.157924	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M-H"	-1.007276
"521128"	2666.240524	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M-H"	-1.007276
"898199"	888.075324	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-H"	-1.007276
"49296"	1794.184471	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M-2H+NH4"	16.019271
"488246"	2683.267071	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M-2H+NH4"	16.019271
"865929"	905.101871	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-2H+NH4"	16.019271
"31922"	1799.139866	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M-2H+Na"	20.974666
"471643"	2688.222466	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M-2H+Na"	20.974666
"850463"	910.057266	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-2H+Na"	20.974666
"1621824"	910.057266	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Na-2H"	20.974666
"95435"	906.063663	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M-H+Cl"	33.962126
"538642"	1350.604963	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M-H+Cl"	33.962126
"934344"	461.522363	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-H+Cl"	33.962126
"269254"	1813.134602	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+Cl"	34.969402
"662039"	2702.217202	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+Cl"	34.969402
"1274804"	924.052002	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Cl"	34.969402
"29404"	1815.113806	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M-2H+K"	36.948606
"464225"	2704.196406	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M-2H+K"	36.948606
"843120"	926.031206	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-2H+K"	36.948606
"1557129"	926.031206	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+K-2H"	36.948606
"949023"	934.080794	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-H+HCOOH"	44.998194
"375262"	1823.163401	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+HCOOH-H"	44.998201
"360240"	1837.179051	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+Hac-H"	59.013851
"1507254"	948.096451	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Hac-H"	59.013851
"973824"	956.062751	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-H+NaCOOH"	66.980151
"121513"	924.052002	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+2Cl"	69.938804
"564355"	1368.593302	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+2Cl"	69.938804
"1024770"	479.510702	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2Cl"	69.938804
"1255282"	968.001485	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Br"	78.918885
"1307893"	970.057472	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Cl+HCOOH"	80.974872
"1325388"	992.039429	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Cl+NaCOOH"	102.956829
"915353"	1002.068186	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M-H+CF3COOH"	112.985586
"1292060"	1038.044864	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Cl+CF3COOH"	148.962264
"1371317"	854.069924	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H-2H2O"	-35.012676
"1394281"	872.0799	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H-H2O"	-17.0027
"296154"	1779.172476	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+H"	1.007276
"689303"	2668.255076	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+H"	1.007276
"1360550"	890.089876	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H"	1.007276
"140365"	890.089876	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+2H"	2.014552
"578473"	1334.631176	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+2H"	2.014552
"1043990"	445.548576	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2H"	2.014552
"214808"	593.729009333333	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+3H"	3.021828
"649265"	890.089876	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+3H"	3.021828
"1175048"	297.368142666667	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+3H"	3.021828
"435038"	1796.199023	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+NH4"	18.033823
"800537"	2685.281623	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+NH4"	18.033823
"1696262"	907.116423	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+NH4"	18.033823
"344050"	898.6031495	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+H+NH4"	19.041099
"733068"	1343.1444495	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+H+NH4"	19.041099
"1487986"	454.0618495	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H+NH4"	19.041099
"397918"	1801.154418	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+Na"	22.989218
"756728"	2690.237018	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+Na"	22.989218
"1605920"	912.071818	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Na"	22.989218
"315957"	901.080847	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+H+Na"	23.996494
"716032"	1345.622147	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+H+Na"	23.996494
"1466572"	456.539547	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H+Na"	23.996494
"1058724"	304.695456666667	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2H+Na"	25.00377
"1262586"	922.116086	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+CH3OH+H"	33.033486
"382254"	1817.128358	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+K"	38.963158
"743612"	2706.210958	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+K"	38.963158
"1540101"	928.045758	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+K"	38.963158
"300291"	909.067817	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+H+K"	39.970434
"695994"	1353.609117	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+H+K"	39.970434
"1449814"	464.526517	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H+K"	39.970434
"236474"	1820.199026	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+ACN+H"	42.033826
"1212223"	931.116426	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+ACN+H"	42.033826
"1196106"	466.061851	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+ACN+2H"	43.041102
"190432"	1823.13636	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+2Na-H"	44.97116
"631819"	2712.21896	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+2Na-H"	44.97116
"1138607"	934.05376	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2Na-H"	44.97116
"184085"	912.071818	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+2Na"	45.978436
"620365"	1356.613118	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+2Na"	45.978436
"1125696"	467.530518	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2Na"	45.978436
"1407401"	312.022770666667	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H+2Na"	46.985712
"1438421"	936.095346	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H+HCOOH"	47.012746
"224836"	917.10484	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+3H2O+2H"	56.04448
"1519095"	950.14739	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+IsoProp+H"	61.06479
"420240"	920.058788	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+Na+K"	61.952376
"779046"	1364.600088	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+Na+K"	61.952376
"1675379"	475.517488	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Na+K"	61.952376
"256430"	1842.180968	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+ACN+Na"	64.015768
"1230961"	953.098368	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+ACN+Na"	64.015768
"1716204"	953.121893	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+NH4+HCOOH"	64.039293
"1185572"	319.350084666667	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+3Na"	68.967654
"1653276"	958.077288	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Na+HCOOH"	68.994688
"157946"	1855.08424	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+2K-H"	76.91904
"597424"	2744.16684	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+2K-H"	76.91904
"1084411"	966.00164	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2K-H"	76.91904
"141791"	928.045758	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"2M+2K"	77.926316
"582047"	1372.587058	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"3M+2K"	77.926316
"1068520"	483.504458	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2K"	77.926316
"1099995"	968.016192	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2K+H"	78.933592
"1344539"	968.103807	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+DMSO+H"	79.021207
"1009788"	972.142976	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2ACN+H"	83.060376
"1529006"	973.136608	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+IsoProp+Na+H"	84.054008
"994360"	486.575126	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+2ACN+2H"	84.067652
"1588498"	974.051228	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+K+HCOOH"	84.968628
"1416709"	1004.082738	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+H+CF3COOH"	115.000138
"1147064"	507.088401	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+3ACN+2H"	125.094202
"1697642"	1021.109285	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+NH4+CF3COOH"	132.026685
"1634875"	1026.06468	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+Na+CF3COOH"	136.98208
"1577697"	1042.03862	"C19685"	"Sulfoacetyl-CoA"	"C23H38N7O20P3S2"	"889.0826"	"M+K+CF3COOH"	152.95602
"816789"	223.0481	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M"	0
"984878"	204.02971	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-H2O-H"	-19.01839
"72029"	147.691457333333	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M-3H"	-3.021828
"517058"	222.040824	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M-3H"	-3.021828
"889396"	73.3420906666667	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-3H"	-3.021828
"5784"	222.040824	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M-2H"	-2.014552
"447529"	333.564874	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M-2H"	-2.014552
"820227"	110.516774	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-2H"	-2.014552
"82772"	445.088924	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M-H"	-1.007276
"520874"	668.137024	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M-H"	-1.007276
"897943"	222.040824	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-H"	-1.007276
"49042"	462.115471	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M-2H+NH4"	16.019271
"491152"	685.163571	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M-2H+NH4"	16.019271
"868225"	239.067371	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-2H+NH4"	16.019271
"33574"	467.070866	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M-2H+Na"	20.974666
"472770"	690.118966	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M-2H+Na"	20.974666
"852762"	244.022766	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-2H+Na"	20.974666
"1624851"	244.022766	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Na-2H"	20.974666
"98461"	240.029163	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M-H+Cl"	33.962126
"539844"	351.553213	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M-H+Cl"	33.962126
"932265"	128.505113	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-H+Cl"	33.962126
"270821"	481.065602	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+Cl"	34.969402
"665431"	704.113702	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+Cl"	34.969402
"1274914"	258.017502	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Cl"	34.969402
"26962"	483.044806	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M-2H+K"	36.948606
"464335"	706.092906	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M-2H+K"	36.948606
"839950"	259.996706	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-2H+K"	36.948606
"1557239"	259.996706	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+K-2H"	36.948606
"950226"	268.046294	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-H+HCOOH"	44.998194
"376554"	491.094401	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+HCOOH-H"	44.998201
"361123"	505.110051	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+Hac-H"	59.013851
"1505905"	282.061951	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Hac-H"	59.013851
"970530"	290.028251	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-H+NaCOOH"	66.980151
"120529"	258.017502	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+2Cl"	69.938804
"563979"	369.541552	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+2Cl"	69.938804
"1023786"	146.493452	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2Cl"	69.938804
"1254663"	301.966985	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Br"	78.918885
"1308003"	304.022972	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Cl+HCOOH"	80.974872
"1325498"	326.004929	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Cl+NaCOOH"	102.956829
"916556"	336.033686	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M-H+CF3COOH"	112.985586
"1289984"	372.010364	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Cl+CF3COOH"	148.962264
"1369239"	188.035424	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H-2H2O"	-35.012676
"1394390"	206.0454	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H-H2O"	-17.0027
"295900"	447.103476	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+H"	1.007276
"687591"	670.151576	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+H"	1.007276
"1362846"	224.055376	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H"	1.007276
"137923"	224.055376	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+2H"	2.014552
"577493"	335.579426	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+2H"	2.014552
"1041913"	112.531326	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2H"	2.014552
"210908"	149.706009333333	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+3H"	3.021828
"655572"	224.055376	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+3H"	3.021828
"1174063"	75.3566426666667	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+3H"	3.021828
"434055"	464.130023	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+NH4"	18.033823
"799433"	687.178123	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+NH4"	18.033823
"1693572"	241.081923	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+NH4"	18.033823
"341121"	232.5686495	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+H+NH4"	19.041099
"734271"	344.0926995	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+H+NH4"	19.041099
"1488826"	121.0445995	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H+NH4"	19.041099
"398028"	469.085418	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+Na"	22.989218
"757931"	692.133518	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+Na"	22.989218
"1608216"	246.037318	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Na"	22.989218
"319345"	235.046347	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+H+Na"	23.996494
"713955"	346.570397	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+H+Na"	23.996494
"1467774"	123.522297	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H+Na"	23.996494
"1063204"	82.6839566666667	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2H+Na"	25.00377
"1264883"	256.081586	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+CH3OH+H"	33.033486
"383458"	485.059358	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+K"	38.963158
"740442"	708.107458	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+K"	38.963158
"1548691"	262.011258	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+K"	38.963158
"300765"	243.033317	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+H+K"	39.970434
"693916"	354.557367	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+H+K"	39.970434
"1449924"	131.509267	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H+K"	39.970434
"236343"	488.130026	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+ACN+H"	42.033826
"1212333"	265.081926	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+ACN+H"	42.033826
"1195849"	133.044601	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+ACN+2H"	43.041102
"189119"	491.06736	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+2Na-H"	44.97116
"630836"	714.11546	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+2Na-H"	44.97116
"1133003"	268.01926	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2Na-H"	44.97116
"179821"	246.037318	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+2Na"	45.978436
"618288"	357.561368	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+2Na"	45.978436
"1127263"	134.513268	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2Na"	45.978436
"1408604"	90.0112706666667	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H+2Na"	46.985712
"1439625"	270.060846	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H+HCOOH"	47.012746
"228226"	251.07034	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+3H2O+2H"	56.04448
"1520662"	284.11289	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+IsoProp+H"	61.06479
"419986"	254.024288	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+Na+K"	61.952376
"776970"	365.548338	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+Na+K"	61.952376
"1676582"	142.500238	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Na+K"	61.952376
"259820"	510.111968	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+ACN+Na"	64.015768
"1231436"	287.063868	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+ACN+Na"	64.015768
"1716314"	287.087393	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+NH4+HCOOH"	64.039293
"1181671"	97.3385846666667	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+3Na"	68.967654
"1650300"	292.042788	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Na+HCOOH"	68.994688
"157570"	523.01524	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+2K-H"	76.91904
"597618"	746.06334	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+2K-H"	76.91904
"1085778"	299.96714	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2K-H"	76.91904
"141578"	262.011258	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"2M+2K"	77.926316
"583980"	373.535308	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"3M+2K"	77.926316
"1069017"	150.487208	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2K"	77.926316
"1100607"	301.981692	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2K+H"	78.933592
"1341369"	302.069307	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+DMSO+H"	79.021207
"1009898"	306.108476	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2ACN+H"	83.060376
"1528023"	307.102108	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+IsoProp+Na+H"	84.054008
"994471"	153.557876	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+2ACN+2H"	84.067652
"1590067"	308.016728	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+K+HCOOH"	84.968628
"1415728"	338.048238	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+H+CF3COOH"	115.000138
"1147958"	174.071151	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+3ACN+2H"	125.094202
"1698845"	355.074785	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+NH4+CF3COOH"	132.026685
"1635594"	360.03018	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+Na+CF3COOH"	136.98208
"1577807"	376.00412	"C19686"	"3-(1-Carboxyvinyloxy)anthranilate;2-Amino-3-(1-carboxyethenyl)oxybenzoate"	"C10H9NO5"	"223.0481"	"M+K+CF3COOH"	152.95602
"814736"	238.0509	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M"	0
"981708"	219.03251	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-H2O-H"	-19.01839
"69952"	157.693324	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M-3H"	-3.021828
"516075"	237.043624	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M-3H"	-3.021828
"889506"	78.343024	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-3H"	-3.021828
"5895"	237.043624	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M-2H"	-2.014552
"444361"	356.069074	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M-2H"	-2.014552
"818999"	118.018174	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-2H"	-2.014552
"81424"	475.094524	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M-H"	-1.007276
"521712"	713.145424	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M-H"	-1.007276
"897692"	237.043624	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-H"	-1.007276
"50610"	492.121071	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M-2H+NH4"	16.019271
"488833"	730.171971	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M-2H+NH4"	16.019271
"867242"	254.070171	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-2H+NH4"	16.019271
"33805"	497.076466	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M-2H+Na"	20.974666
"473731"	735.127366	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M-2H+Na"	20.974666
"852872"	259.025566	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-2H+Na"	20.974666
"1624961"	259.025566	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Na-2H"	20.974666
"99300"	255.031963	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M-H+Cl"	33.962126
"541049"	374.057413	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M-H+Cl"	33.962126
"934563"	136.006513	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-H+Cl"	33.962126
"275305"	511.071202	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+Cl"	34.969402
"666632"	749.122102	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+Cl"	34.969402
"1275145"	273.020302	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Cl"	34.969402
"23792"	513.050406	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M-2H+K"	36.948606
"463351"	751.101306	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M-2H+K"	36.948606
"840060"	274.999506	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-2H+K"	36.948606
"1558078"	274.999506	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+K-2H"	36.948606
"951429"	283.049094	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-H+HCOOH"	44.998194
"375848"	521.100001	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+HCOOH-H"	44.998201
"359731"	535.115651	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+Hac-H"	59.013851
"1507721"	297.064751	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Hac-H"	59.013851
"973683"	305.031051	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-H+NaCOOH"	66.980151
"124650"	273.020302	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+2Cl"	69.938804
"561658"	392.045752	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+2Cl"	69.938804
"1027177"	153.994852	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2Cl"	69.938804
"1255139"	316.969785	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Br"	78.918885
"1307020"	319.025772	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Cl+HCOOH"	80.974872
"1324515"	341.007729	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Cl+NaCOOH"	102.956829
"917758"	351.036486	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M-H+CF3COOH"	112.985586
"1293374"	387.013164	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Cl+CF3COOH"	148.962264
"1369349"	203.038224	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H-2H2O"	-35.012676
"1395594"	221.0482	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H-H2O"	-17.0027
"296740"	477.109076	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+H"	1.007276
"687703"	715.159976	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+H"	1.007276
"1362957"	239.058176	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H"	1.007276
"139496"	239.058176	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+2H"	2.014552
"579303"	358.083626	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+2H"	2.014552
"1042023"	120.032726	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2H"	2.014552
"208832"	159.707876	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+3H"	3.021828
"652766"	239.058176	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+3H"	3.021828
"1175266"	80.357576	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+3H"	3.021828
"434165"	494.135623	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+NH4"	18.033823
"800391"	732.186523	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+NH4"	18.033823
"1694410"	256.084723	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+NH4"	18.033823
"340866"	247.5714495	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+H+NH4"	19.041099
"732195"	366.5968995	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+H+NH4"	19.041099
"1488203"	128.5459995	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H+NH4"	19.041099
"405425"	499.091018	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+Na"	22.989218
"759136"	737.141918	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+Na"	22.989218
"1607232"	261.040118	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Na"	22.989218
"319455"	250.049147	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+H+Na"	23.996494
"712969"	369.074597	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+H+Na"	23.996494
"1466789"	131.023697	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H+Na"	23.996494
"1063315"	87.68489	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2H+Na"	25.00377
"1264993"	271.084386	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+CH3OH+H"	33.033486
"383567"	515.064958	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+K"	38.963158
"741281"	753.115858	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+K"	38.963158
"1547708"	277.014058	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+K"	38.963158
"300509"	258.036117	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+H+K"	39.970434
"694026"	377.061567	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+H+K"	39.970434
"1452222"	139.010667	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H+K"	39.970434
"237545"	518.135626	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+ACN+H"	42.033826
"1212443"	280.084726	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+ACN+H"	42.033826
"1196690"	140.546001	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+ACN+2H"	43.041102
"190648"	521.07296	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+2Na-H"	44.97116
"630946"	759.12386	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+2Na-H"	44.97116
"1133357"	283.02206	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2Na-H"	44.97116
"179931"	261.040118	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+2Na"	45.978436
"618762"	380.065568	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+2Na"	45.978436
"1127373"	142.014668	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2Na"	45.978436
"1410536"	95.012204	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H+2Na"	46.985712
"1437548"	285.063646	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H+HCOOH"	47.012746
"229429"	266.07314	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+3H2O+2H"	56.04448
"1518585"	299.11569	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+IsoProp+H"	61.06479
"420460"	269.027088	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+Na+K"	61.952376
"781453"	388.052538	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+Na+K"	61.952376
"1675598"	150.001638	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Na+K"	61.952376
"263210"	540.117568	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+ACN+Na"	64.015768
"1231546"	302.066668	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+ACN+Na"	64.015768
"1716057"	302.090193	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+NH4+HCOOH"	64.039293
"1179958"	102.339518	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+3Na"	68.967654
"1650940"	307.045588	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Na+HCOOH"	68.994688
"158170"	553.02084	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+2K-H"	76.91904
"597199"	791.07174	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+2K-H"	76.91904
"1086617"	314.96994	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2K-H"	76.91904
"143433"	277.014058	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"2M+2K"	77.926316
"581651"	396.039508	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"3M+2K"	77.926316
"1068576"	157.988608	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2K"	77.926316
"1100468"	316.984492	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2K+H"	78.933592
"1341479"	317.072107	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+DMSO+H"	79.021207
"1010008"	321.111276	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2ACN+H"	83.060376
"1528133"	322.104908	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+IsoProp+Na+H"	84.054008
"994581"	161.059276	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+2ACN+2H"	84.067652
"1590177"	323.019528	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+K+HCOOH"	84.968628
"1415838"	353.051038	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+H+CF3COOH"	115.000138
"1149041"	181.572551	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+3ACN+2H"	125.094202
"1698592"	370.077585	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+NH4+CF3COOH"	132.026685
"1634729"	375.03298	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+Na+CF3COOH"	136.98208
"1574637"	391.00692	"C19687"	"7-Chloro-L-tryptophan"	"C11H11ClN2O2"	"238.0509"	"M+K+CF3COOH"	152.95602
"814482"	236.0353	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M"	0
"982911"	217.01691	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-H2O-H"	-19.01839
"65688"	156.349590666667	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M-3H"	-3.021828
"516185"	235.028024	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M-3H"	-3.021828
"893990"	77.6711573333333	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-3H"	-3.021828
"3818"	235.028024	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M-2H"	-2.014552
"454313"	353.045674	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M-2H"	-2.014552
"825551"	117.010374	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-2H"	-2.014552
"87730"	471.063324	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M-H"	-1.007276
"524376"	707.098624	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M-H"	-1.007276
"901813"	235.028024	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-H"	-1.007276
"51085"	488.089871	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M-2H+NH4"	16.019271
"491009"	724.125171	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M-2H+NH4"	16.019271
"868447"	252.054571	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-2H+NH4"	16.019271
"35009"	493.045266	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M-2H+Na"	20.974666
"473962"	729.080566	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M-2H+Na"	20.974666
"856628"	257.009966	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-2H+Na"	20.974666
"1625071"	257.009966	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Na-2H"	20.974666
"100505"	253.016363	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M-H+Cl"	33.962126
"544439"	371.034013	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M-H+Cl"	33.962126
"937953"	134.998713	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-H+Cl"	33.962126
"276508"	507.040002	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+Cl"	34.969402
"666742"	743.075302	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+Cl"	34.969402
"1275865"	271.004702	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Cl"	34.969402
"22807"	509.019206	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M-2H+K"	36.948606
"462366"	745.054506	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M-2H+K"	36.948606
"839075"	272.983906	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-2H+K"	36.948606
"1556485"	272.983906	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+K-2H"	36.948606
"951539"	281.033494	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-H+HCOOH"	44.998194
"376951"	517.068801	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+HCOOH-H"	44.998201
"360692"	531.084451	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+Hac-H"	59.013851
"1508388"	295.049151	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Hac-H"	59.013851
"974000"	303.015451	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-H+NaCOOH"	66.980151
"125658"	271.004702	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+2Cl"	69.938804
"565011"	389.022352	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+2Cl"	69.938804
"1034941"	152.987052	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2Cl"	69.938804
"1251239"	314.954185	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Br"	78.918885
"1311503"	317.010172	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Cl+HCOOH"	80.974872
"1327904"	338.992129	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Cl+NaCOOH"	102.956829
"918962"	349.020886	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M-H+CF3COOH"	112.985586
"1296764"	384.997564	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Cl+CF3COOH"	148.962264
"1374926"	201.022624	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H-2H2O"	-35.012676
"1389142"	219.0326	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H-H2O"	-17.0027
"292109"	473.077876	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+H"	1.007276
"689271"	709.113176	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+H"	1.007276
"1365619"	237.042576	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H"	1.007276
"140331"	237.042576	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+2H"	2.014552
"575521"	355.060226	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+2H"	2.014552
"1042133"	119.024926	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2H"	2.014552
"211128"	158.364142666667	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+3H"	3.021828
"652876"	237.042576	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+3H"	3.021828
"1174283"	79.6857093333333	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+3H"	3.021828
"435368"	490.104423	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+NH4"	18.033823
"797460"	726.139723	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+NH4"	18.033823
"1694521"	254.069123	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+NH4"	18.033823
"338790"	245.5558495	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+H+NH4"	19.041099
"734128"	363.5734995	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+H+NH4"	19.041099
"1488313"	127.5381995	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H+NH4"	19.041099
"407357"	495.059818	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+Na"	22.989218
"757059"	731.095118	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+Na"	22.989218
"1606249"	259.024518	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Na"	22.989218
"317380"	248.033547	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+H+Na"	23.996494
"711986"	366.051197	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+H+Na"	23.996494
"1467994"	130.015897	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H+Na"	23.996494
"1062332"	87.0130233333333	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2H+Na"	25.00377
"1261823"	269.068786	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+CH3OH+H"	33.033486
"383677"	511.033758	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+K"	38.963158
"744671"	747.069058	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+K"	38.963158
"1548911"	274.998458	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+K"	38.963158
"301712"	256.020517	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+H+K"	39.970434
"694500"	374.038167	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+H+K"	39.970434
"1448324"	138.002867	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H+K"	39.970434
"237292"	514.104426	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+ACN+H"	42.033826
"1212917"	278.069126	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+ACN+H"	42.033826
"1196068"	139.538201	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+ACN+2H"	43.041102
"190395"	517.04176	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+2Na-H"	44.97116
"632513"	753.07706	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+2Na-H"	44.97116
"1133468"	281.00646	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2Na-H"	44.97116
"181134"	259.024518	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+2Na"	45.978436
"621789"	377.042168	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+2Na"	45.978436
"1129306"	141.006868	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2Na"	45.978436
"1411010"	94.3403373333333	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H+2Na"	46.985712
"1443125"	283.048046	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H+HCOOH"	47.012746
"231729"	264.05754	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+3H2O+2H"	56.04448
"1520883"	297.10009	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+IsoProp+H"	61.06479
"422754"	267.011488	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+Na+K"	61.952376
"781563"	385.029138	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+Na+K"	61.952376
"1676801"	148.993838	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Na+K"	61.952376
"265873"	536.086368	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+ACN+Na"	64.015768
"1234936"	300.051068	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+ACN+Na"	64.015768
"1720542"	300.074593	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+NH4+HCOOH"	64.039293
"1181527"	101.667651333333	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+3Na"	68.967654
"1652143"	305.029988	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Na+HCOOH"	68.994688
"158280"	548.98964	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+2K-H"	76.91904
"601121"	785.02494	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+2K-H"	76.91904
"1086728"	312.95434	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2K-H"	76.91904
"142570"	274.998458	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"2M+2K"	77.926316
"581884"	393.016108	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"3M+2K"	77.926316
"1069064"	156.980808	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2K"	77.926316
"1100329"	314.968892	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2K+H"	78.933592
"1343777"	315.056507	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+DMSO+H"	79.021207
"1015586"	319.095676	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2ACN+H"	83.060376
"1533711"	320.089308	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+IsoProp+Na+H"	84.054008
"999066"	160.051476	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+2ACN+2H"	84.067652
"1594662"	321.003928	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+K+HCOOH"	84.968628
"1420322"	351.035438	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+H+CF3COOH"	115.000138
"1149880"	180.564751	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+3ACN+2H"	125.094202
"1698338"	368.061985	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+NH4+CF3COOH"	132.026685
"1635083"	373.01738	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+Na+CF3COOH"	136.98208
"1575840"	388.99132	"C19688"	"2-Imino-3-(7-chloroindol-3-yl)propanoate;7-Chlorodehydrotryptophan"	"C11H9ClN2O2"	"236.0353"	"M+K+CF3COOH"	152.95602
"814956"	306.0998	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M"	0
"978647"	287.08141	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-H2O-H"	-19.01839
"66891"	203.059257333333	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M-3H"	-3.021828
"504503"	305.092524	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M-3H"	-3.021828
"891914"	101.025990666667	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-3H"	-3.021828
"2103"	305.092524	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M-2H"	-2.014552
"444581"	458.142424	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M-2H"	-2.014552
"818732"	152.042624	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-2H"	-2.014552
"81640"	611.192324	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M-H"	-1.007276
"521570"	917.292124	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M-H"	-1.007276
"899735"	305.092524	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-H"	-1.007276
"50830"	628.218871	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M-2H+NH4"	16.019271
"488445"	934.318671	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M-2H+NH4"	16.019271
"866126"	322.119071	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-2H+NH4"	16.019271
"33662"	633.174266	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M-2H+Na"	20.974666
"472613"	939.274066	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M-2H+Na"	20.974666
"855280"	327.074466	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-2H+Na"	20.974666
"1625181"	327.074466	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Na-2H"	20.974666
"98792"	323.080863	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M-H+Cl"	33.962126
"541269"	476.130763	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M-H+Cl"	33.962126
"938063"	170.030963	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-H+Cl"	33.962126
"273338"	647.169002	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+Cl"	34.969402
"664665"	953.268802	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+Cl"	34.969402
"1273425"	341.069202	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Cl"	34.969402
"22917"	649.148206	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M-2H+K"	36.948606
"463569"	955.248006	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M-2H+K"	36.948606
"841371"	343.048406	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-2H+K"	36.948606
"1556958"	343.048406	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+K-2H"	36.948606
"953471"	351.097994	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-H+HCOOH"	44.998194
"377071"	657.197801	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+HCOOH-H"	44.998201
"361005"	671.213451	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+Hac-H"	59.013851
"1507824"	365.113651	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Hac-H"	59.013851
"973543"	373.079951	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-H+NaCOOH"	66.980151
"124999"	341.069202	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+2Cl"	69.938804
"565403"	494.119102	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+2Cl"	69.938804
"1033957"	188.019302	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2Cl"	69.938804
"1249162"	385.018685	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Br"	78.918885
"1313797"	387.074672	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Cl+HCOOH"	80.974872
"1328014"	409.056629	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Cl+NaCOOH"	102.956829
"920165"	419.085386	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M-H+CF3COOH"	112.985586
"1295781"	455.062064	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Cl+CF3COOH"	148.962264
"1375036"	271.087124	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H-2H2O"	-35.012676
"1389251"	289.0971	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H-H2O"	-17.0027
"292219"	613.206876	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+H"	1.007276
"684641"	919.306676	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+H"	1.007276
"1364270"	307.107076	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H"	1.007276
"138253"	307.107076	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+2H"	2.014552
"575630"	460.156976	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+2H"	2.014552
"1042243"	154.057176	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2H"	2.014552
"215614"	205.073809333333	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+3H"	3.021828
"652986"	307.107076	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+3H"	3.021828
"1174394"	103.040542666667	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+3H"	3.021828
"435478"	630.233423	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+NH4"	18.033823
"796476"	936.333223	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+NH4"	18.033823
"1694994"	324.133623	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+NH4"	18.033823
"338900"	315.6203495	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+H+NH4"	19.041099
"735695"	468.6702495	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+H+NH4"	19.041099
"1488423"	162.5704495	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H+NH4"	19.041099
"406008"	635.188818	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+Na"	22.989218
"764814"	941.288618	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+Na"	22.989218
"1609635"	329.089018	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Na"	22.989218
"319672"	318.098047	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+H+Na"	23.996494
"709180"	471.147947	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+H+Na"	23.996494
"1464093"	165.048147	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H+Na"	23.996494
"1056608"	110.367856666667	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2H+Na"	25.00377
"1260110"	339.133286	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+CH3OH+H"	33.033486
"378318"	651.162758	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+K"	38.963158
"738945"	957.262558	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+K"	38.963158
"1544648"	345.062958	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+K"	38.963158
"298898"	326.085017	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+H+K"	39.970434
"691607"	479.134917	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+H+K"	39.970434
"1449891"	173.035117	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H+K"	39.970434
"238494"	654.233426	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+ACN+H"	42.033826
"1214484"	348.133626	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+ACN+H"	42.033826
"1196907"	174.570451	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+ACN+2H"	43.041102
"190505"	657.17076	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+2Na-H"	44.97116
"631528"	963.27056	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+2Na-H"	44.97116
"1135761"	351.07096	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2Na-H"	44.97116
"177595"	329.089018	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+2Na"	45.978436
"621899"	482.138918	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+2Na"	45.978436
"1127593"	176.039118	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2Na"	45.978436
"1411848"	117.695170666667	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H+2Na"	46.985712
"1443234"	353.112546	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H+HCOOH"	47.012746
"231838"	334.12204	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+3H2O+2H"	56.04448
"1520992"	367.16459	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+IsoProp+H"	61.06479
"421771"	337.075988	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+Na+K"	61.952376
"784831"	490.125888	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+Na+K"	61.952376
"1676911"	184.026088	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Na+K"	61.952376
"265983"	676.215368	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+ACN+Na"	64.015768
"1238325"	370.115568	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+ACN+Na"	64.015768
"1718464"	370.139093	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+NH4+HCOOH"	64.039293
"1182730"	125.022484666667	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+3Na"	68.967654
"1652011"	375.094488	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Na+HCOOH"	68.994688
"158632"	689.11864	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+2K-H"	76.91904
"601231"	995.21844	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+2K-H"	76.91904
"1089024"	383.01884	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2K-H"	76.91904
"142680"	345.062958	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"2M+2K"	77.926316
"581707"	498.112858	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"3M+2K"	77.926316
"1068928"	192.013058	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2K"	77.926316
"1100429"	385.033392	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2K+H"	78.933592
"1343887"	385.121007	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+DMSO+H"	79.021207
"1014603"	389.160176	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2ACN+H"	83.060376
"1536008"	390.153808	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+IsoProp+Na+H"	84.054008
"1000269"	195.083726	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+2ACN+2H"	84.067652
"1594772"	391.068428	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+K+HCOOH"	84.968628
"1419338"	421.099938	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+H+CF3COOH"	115.000138
"1149626"	215.597001	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+3ACN+2H"	125.094202
"1698810"	438.126485	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+NH4+CF3COOH"	132.026685
"1635193"	443.08188	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+Na+CF3COOH"	136.98208
"1575950"	459.05582	"C19689"	"Glutathione amide;L-gamma-Glutamyl-L-cysteinylglycinamide"	"C10H18N4O5S"	"306.0998"	"M+K+CF3COOH"	152.95602
"813973"	610.1839	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M"	0
"978757"	591.16551	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-H2O-H"	-19.01839
"65907"	405.781990666667	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M-3H"	-3.021828
"502950"	609.176624	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M-3H"	-3.021828
"893117"	202.387357333333	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-3H"	-3.021828
"513"	609.176624	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M-2H"	-2.014552
"443598"	914.268574	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M-2H"	-2.014552
"817426"	304.084674	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-2H"	-2.014552
"79565"	1219.360524	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M-H"	-1.007276
"519857"	1829.544424	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M-H"	-1.007276
"897658"	609.176624	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-H"	-1.007276
"48753"	1236.387071	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M-2H+NH4"	16.019271
"487949"	1846.570971	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M-2H+NH4"	16.019271
"865022"	626.203171	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-2H+NH4"	16.019271
"31828"	1241.342466	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M-2H+Na"	20.974666
"471746"	1851.526366	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M-2H+Na"	20.974666
"853569"	631.158566	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-2H+Na"	20.974666
"1624198"	631.158566	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Na-2H"	20.974666
"97809"	627.164963	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M-H+Cl"	33.962126
"541379"	932.256913	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M-H+Cl"	33.962126
"934893"	322.073013	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-H+Cl"	33.962126
"272356"	1255.337202	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+Cl"	34.969402
"670244"	1865.521102	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+Cl"	34.969402
"1273168"	645.153302	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Cl"	34.969402
"25212"	1257.316406	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M-2H+K"	36.948606
"462586"	1867.500306	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M-2H+K"	36.948606
"839294"	647.132506	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-2H+K"	36.948606
"1556705"	647.132506	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+K-2H"	36.948606
"942793"	655.182094	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-H+HCOOH"	44.998194
"376667"	1265.366001	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+HCOOH-H"	44.998201
"359329"	1279.381651	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+Hac-H"	59.013851
"1508395"	669.197751	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Hac-H"	59.013851
"973773"	677.164051	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-H+NaCOOH"	66.980151
"125612"	645.153302	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+2Cl"	69.938804
"565358"	950.245252	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+2Cl"	69.938804
"1035891"	340.061352	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2Cl"	69.938804
"1255468"	689.102785	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Br"	78.918885
"1316094"	691.158772	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Cl+HCOOH"	80.974872
"1330311"	713.140729	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Cl+NaCOOH"	102.956829
"921369"	723.169486	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M-H+CF3COOH"	112.985586
"1293704"	759.146164	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Cl+CF3COOH"	148.962264
"1375146"	575.171224	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H-2H2O"	-35.012676
"1389361"	593.1812	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H-H2O"	-17.0027
"294516"	1221.375076	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+H"	1.007276
"683657"	1831.558976	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+H"	1.007276
"1364016"	611.191176	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H"	1.007276
"138363"	611.191176	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+2H"	2.014552
"577930"	916.283126	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+2H"	2.014552
"1051105"	306.099226	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2H"	2.014552
"217547"	407.796542666667	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+3H"	3.021828
"654189"	611.191176	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+3H"	3.021828
"1172317"	204.401909333333	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+3H"	3.021828
"434495"	1238.401623	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+NH4"	18.033823
"796585"	1848.585523	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+NH4"	18.033823
"1692188"	628.217723	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+NH4"	18.033823
"335730"	619.7044495	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+H+NH4"	19.041099
"733984"	924.7963995	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+H+NH4"	19.041099
"1487076"	314.6124995	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H+NH4"	19.041099
"400651"	1243.357018	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+Na"	22.989218
"763468"	1853.540918	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+Na"	22.989218
"1609747"	633.173118	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Na"	22.989218
"324156"	622.182147	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+H+Na"	23.996494
"712204"	927.274097	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+H+Na"	23.996494
"1466023"	317.090197	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H+Na"	23.996494
"1057446"	211.729223333333	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2H+Na"	25.00377
"1260950"	643.217386	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+CH3OH+H"	33.033486
"379887"	1259.330958	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+K"	38.963158
"740153"	1869.514858	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+K"	38.963158
"1545852"	649.147058	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+K"	38.963158
"298809"	630.169117	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+H+K"	39.970434
"694357"	935.261067	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+H+K"	39.970434
"1447084"	325.077167	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H+K"	39.970434
"241158"	1262.401626	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+ACN+H"	42.033826
"1214230"	652.217726	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+ACN+H"	42.033826
"1198841"	326.612501	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+ACN+2H"	43.041102
"190253"	1265.33896	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+2Na-H"	44.97116
"634557"	1875.52286	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+2Na-H"	44.97116
"1135877"	655.15506	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2Na-H"	44.97116
"178438"	633.173118	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+2Na"	45.978436
"623104"	938.265068	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+2Na"	45.978436
"1129529"	328.081168	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2Na"	45.978436
"1411229"	219.056537333333	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H+2Na"	46.985712
"1441157"	657.196646	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H+HCOOH"	47.012746
"231949"	638.20614	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+3H2O+2H"	56.04448
"1520738"	671.24869	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+IsoProp+H"	61.06479
"422610"	641.160088	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+Na+K"	61.952376
"785062"	946.252038	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+Na+K"	61.952376
"1678116"	336.068138	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Na+K"	61.952376
"258074"	1284.383568	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+ACN+Na"	64.015768
"1232969"	674.199668	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+ACN+Na"	64.015768
"1716387"	674.223193	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+NH4+HCOOH"	64.039293
"1185028"	226.383851333333	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+3Na"	68.967654
"1652731"	679.178588	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Na+HCOOH"	68.994688
"158621"	1297.28684	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+2K-H"	76.91904
"598177"	1907.47074	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+2K-H"	76.91904
"1086947"	687.10294	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2K-H"	76.91904
"141813"	649.147058	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"2M+2K"	77.926316
"581980"	954.239008	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"3M+2K"	77.926316
"1068836"	344.055108	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2K"	77.926316
"1099924"	689.117492	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2K+H"	78.933592
"1336082"	689.205107	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+DMSO+H"	79.021207
"1014713"	693.244276	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2ACN+H"	83.060376
"1533931"	694.237908	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+IsoProp+Na+H"	84.054008
"1000379"	347.125776	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+2ACN+2H"	84.067652
"1594882"	695.152528	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+K+HCOOH"	84.968628
"1419448"	725.184038	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+H+CF3COOH"	115.000138
"1150829"	367.639051	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+3ACN+2H"	125.094202
"1698192"	742.210585	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+NH4+CF3COOH"	132.026685
"1635303"	747.16598	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+Na+CF3COOH"	136.98208
"1572168"	763.13992	"C19690"	"Glutathione amide disulfide"	"C20H34N8O10S2"	"610.1839"	"M+K+CF3COOH"	152.95602
"815176"	325.2076	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M"	0
"982147"	306.18921	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-H2O-H"	-19.01839
"66017"	215.797790666667	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M-3H"	-3.021828
"503754"	324.200324	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M-3H"	-3.021828
"889946"	107.395257333333	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-3H"	-3.021828
"1959"	324.200324	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M-2H"	-2.014552
"445895"	486.804124	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M-2H"	-2.014552
"817496"	161.596524	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-2H"	-2.014552
"80769"	649.407924	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M-H"	-1.007276
"520697"	974.615524	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M-H"	-1.007276
"899956"	324.200324	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-H"	-1.007276
"49227"	666.434471	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M-2H+NH4"	16.019271
"489151"	991.642071	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M-2H+NH4"	16.019271
"865495"	341.226871	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-2H+NH4"	16.019271
"34124"	671.389866	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M-2H+Na"	20.974666
"473686"	996.597466	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M-2H+Na"	20.974666
"851127"	346.182266	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-2H+Na"	20.974666
"1624308"	346.182266	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Na-2H"	20.974666
"100835"	342.188663	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M-H+Cl"	33.962126
"541489"	504.792463	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M-H+Cl"	33.962126
"935003"	179.584863	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-H+Cl"	33.962126
"272466"	685.384602	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+Cl"	34.969402
"668167"	1010.592202	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+Cl"	34.969402
"1275100"	360.177002	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Cl"	34.969402
"23136"	687.363806	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M-2H+K"	36.948606
"462696"	1012.571406	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M-2H+K"	36.948606
"838311"	362.156206	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-2H+K"	36.948606
"1556086"	362.156206	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+K-2H"	36.948606
"945307"	370.205794	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-H+HCOOH"	44.998194
"374466"	695.413401	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+HCOOH-H"	44.998201
"359076"	709.429051	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+Hac-H"	59.013851
"1508288"	384.221451	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Hac-H"	59.013851
"973969"	392.187751	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-H+NaCOOH"	66.980151
"125625"	360.177002	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+2Cl"	69.938804
"565380"	522.780802	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+2Cl"	69.938804
"1036488"	197.573202	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2Cl"	69.938804
"1253755"	404.126485	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Br"	78.918885
"1315111"	406.182472	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Cl+HCOOH"	80.974872
"1329328"	428.164429	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Cl+NaCOOH"	102.956829
"921480"	438.193186	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M-H+CF3COOH"	112.985586
"1294908"	474.169864	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Cl+CF3COOH"	148.962264
"1375256"	290.194924	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H-2H2O"	-35.012676
"1389471"	308.2049	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H-H2O"	-17.0027
"294626"	651.422476	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+H"	1.007276
"684861"	976.630076	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+H"	1.007276
"1364490"	326.214876	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H"	1.007276
"139932"	326.214876	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+2H"	2.014552
"578767"	488.818676	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+2H"	2.014552
"1049756"	163.611076	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2H"	2.014552
"219116"	217.812342666667	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+3H"	3.021828
"653206"	326.214876	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+3H"	3.021828
"1172427"	109.409809333333	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+3H"	3.021828
"433512"	668.449023	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+NH4"	18.033823
"795602"	993.656623	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+NH4"	18.033823
"1691569"	343.241423	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+NH4"	18.033823
"341672"	334.7281495	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+H+NH4"	19.041099
"734459"	497.3319495	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+H+NH4"	19.041099
"1487550"	172.1243495	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H+NH4"	19.041099
"400761"	673.404418	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+Na"	22.989218
"765036"	998.612018	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+Na"	22.989218
"1614230"	348.196818	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Na"	22.989218
"326454"	337.205847	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+H+Na"	23.996494
"714501"	499.809647	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+H+Na"	23.996494
"1466135"	174.602047	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H+Na"	23.996494
"1057193"	116.737123333333	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2H+Na"	25.00377
"1260331"	358.241086	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+CH3OH+H"	33.033486
"379997"	689.378358	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+K"	38.963158
"739899"	1014.585958	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+K"	38.963158
"1545962"	364.170758	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+K"	38.963158
"299244"	345.192817	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+H+K"	39.970434
"695925"	507.796617	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+H+K"	39.970434
"1447922"	182.589017	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H+K"	39.970434
"238349"	692.449026	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+ACN+H"	42.033826
"1212151"	367.241426	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+ACN+H"	42.033826
"1199317"	184.124351	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+ACN+2H"	43.041102
"194012"	695.38636	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+2Na-H"	44.97116
"628749"	1020.59396	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+2Na-H"	44.97116
"1135987"	370.17876	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2Na-H"	44.97116
"175632"	348.196818	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+2Na"	45.978436
"619936"	510.800618	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+2Na"	45.978436
"1121256"	185.593018	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2Na"	45.978436
"1404780"	124.064437333333	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H+2Na"	46.985712
"1434707"	372.220346	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H+HCOOH"	47.012746
"226590"	353.22984	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+3H2O+2H"	56.04448
"1510642"	386.27239	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+IsoProp+H"	61.06479
"412150"	356.183788	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+Na+K"	61.952376
"772050"	518.787588	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+Na+K"	61.952376
"1672759"	193.579988	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Na+K"	61.952376
"253811"	714.430968	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+ACN+Na"	64.015768
"1227975"	389.223368	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+ACN+Na"	64.015768
"1713942"	389.246893	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+NH4+HCOOH"	64.039293
"1185138"	131.391751333333	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+3Na"	68.967654
"1651748"	394.202288	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Na+HCOOH"	68.994688
"157350"	727.33424	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+2K-H"	76.91904
"598044"	1052.54184	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+2K-H"	76.91904
"1087056"	402.12664	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2K-H"	76.91904
"142168"	364.170758	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"2M+2K"	77.926316
"581605"	526.774558	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"3M+2K"	77.926316
"1068537"	201.566958	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2K"	77.926316
"1099911"	404.141192	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2K+H"	78.933592
"1335630"	404.228807	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+DMSO+H"	79.021207
"1015916"	408.267976	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2ACN+H"	83.060376
"1530761"	409.261608	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+IsoProp+Na+H"	84.054008
"1000489"	204.637626	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+2ACN+2H"	84.067652
"1594992"	410.176228	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+K+HCOOH"	84.968628
"1420651"	440.207738	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+H+CF3COOH"	115.000138
"1149482"	225.150901	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+3ACN+2H"	125.094202
"1699397"	457.234285	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+NH4+CF3COOH"	132.026685
"1634683"	462.18968	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+Na+CF3COOH"	136.98208
"1571549"	478.16362	"C19691"	"Farnesylcysteine;S-(2E6E)-Farnesyl-L-cysteine;S-trans-trans-Farnesylcysteine"	"C18H31NO2S"	"325.2076"	"M+K+CF3COOH"	152.95602
"814193"	121.9178	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M"	0
"978977"	102.89941	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-H2O-H"	-19.01839
"63940"	80.2712573333333	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M-3H"	-3.021828
"503416"	120.910524	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M-3H"	-3.021828
"888963"	39.6319906666667	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-3H"	-3.021828
"162"	120.910524	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M-2H"	-2.014552
"443088"	181.869424	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M-2H"	-2.014552
"817727"	59.951624	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-2H"	-2.014552
"80149"	242.828324	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M-H"	-1.007276
"519103"	364.746124	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M-H"	-1.007276
"898243"	120.910524	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-H"	-1.007276
"48848"	259.854871	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M-2H+NH4"	16.019271
"487675"	381.772671	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M-2H+NH4"	16.019271
"865606"	137.937071	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-2H+NH4"	16.019271
"32896"	264.810266	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M-2H+Na"	20.974666
"472458"	386.728066	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M-2H+Na"	20.974666
"849778"	142.892466	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-2H+Na"	20.974666
"1623324"	142.892466	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Na-2H"	20.974666
"100945"	138.898863	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M-H+Cl"	33.962126
"540506"	199.857763	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M-H+Cl"	33.962126
"928553"	77.939963	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-H+Cl"	33.962126
"269296"	278.805002	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+Cl"	34.969402
"666090"	400.722802	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+Cl"	34.969402
"1276306"	156.887202	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Cl"	34.969402
"22152"	280.784206	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M-2H+K"	36.948606
"456607"	402.702006	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M-2H+K"	36.948606
"835140"	158.866406	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-2H+K"	36.948606
"1556152"	158.866406	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+K-2H"	36.948606
"944324"	166.915994	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-H+HCOOH"	44.998194
"374209"	288.833801	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+HCOOH-H"	44.998201
"359186"	302.849451	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+Hac-H"	59.013851
"1507542"	180.931651	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Hac-H"	59.013851
"973021"	188.897951	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-H+NaCOOH"	66.980151
"125084"	156.887202	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+2Cl"	69.938804
"565488"	217.846102	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+2Cl"	69.938804
"1035017"	95.928302	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2Cl"	69.938804
"1253501"	200.836685	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Br"	78.918885
"1314127"	202.892672	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Cl+HCOOH"	80.974872
"1329438"	224.874629	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Cl+NaCOOH"	102.956829
"921955"	234.903386	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M-H+CF3COOH"	112.985586
"1296111"	270.880064	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Cl+CF3COOH"	148.962264
"1377189"	86.905124	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H-2H2O"	-35.012676
"1389581"	104.9151	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H-H2O"	-17.0027
"293644"	244.842876	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+H"	1.007276
"682784"	366.760676	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+H"	1.007276
"1361320"	122.925076	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H"	1.007276
"139678"	122.925076	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+2H"	2.014552
"578876"	183.883976	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+2H"	2.014552
"1051810"	61.966176	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2H"	2.014552
"219224"	82.2858093333333	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+3H"	3.021828
"656597"	122.925076	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+3H"	3.021828
"1169257"	41.6465426666667	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+3H"	3.021828
"432528"	261.869423	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+NH4"	18.033823
"795712"	383.787223	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+NH4"	18.033823
"1692043"	139.951623	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+NH4"	18.033823
"339230"	131.4383495	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+H+NH4"	19.041099
"735661"	192.3972495	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+H+NH4"	19.041099
"1486566"	70.4794495	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H+NH4"	19.041099
"400871"	266.824818	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+Na"	22.989218
"761866"	388.742618	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+Na"	22.989218
"1609966"	144.907018	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Na"	22.989218
"320002"	133.916047	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+H+Na"	23.996494
"714247"	194.874947	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+H+Na"	23.996494
"1468431"	72.957147	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H+Na"	23.996494
"1056210"	48.9738566666667	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2H+Na"	25.00377
"1258616"	154.951286	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+CH3OH+H"	33.033486
"380108"	282.798758	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+K"	38.963158
"739033"	404.716558	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+K"	38.963158
"1544613"	160.880958	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+K"	38.963158
"301058"	141.903017	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+H+K"	39.970434
"693481"	202.861917	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+H+K"	39.970434
"1446572"	80.944117	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H+K"	39.970434
"238459"	285.869426	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+ACN+H"	42.033826
"1212625"	163.951626	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+ACN+H"	42.033826
"1199791"	82.479451	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+ACN+2H"	43.041102
"193029"	288.80676	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+2Na-H"	44.97116
"628935"	410.72456	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+2Na-H"	44.97116
"1134637"	166.88896	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2Na-H"	44.97116
"176834"	144.907018	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+2Na"	45.978436
"621504"	205.865918	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+2Na"	45.978436
"1120272"	83.948118	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2Na"	45.978436
"1403797"	56.3011706666667	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H+2Na"	46.985712
"1433725"	168.930546	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H+HCOOH"	47.012746
"226700"	149.94004	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+3H2O+2H"	56.04448
"1512939"	182.98259	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+IsoProp+H"	61.06479
"409708"	152.893988	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+Na+K"	61.952376
"774348"	213.852888	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+Na+K"	61.952376
"1671776"	91.935088	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Na+K"	61.952376
"254285"	307.851368	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+ACN+Na"	64.015768
"1227720"	185.933568	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+ACN+Na"	64.015768
"1713199"	185.957093	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+NH4+HCOOH"	64.039293
"1180139"	63.6284846666667	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+3Na"	68.967654
"1651858"	190.912488	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Na+HCOOH"	68.994688
"157501"	320.75464	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+2K-H"	76.91904
"597708"	442.67244	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+2K-H"	76.91904
"1084484"	198.83684	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2K-H"	76.91904
"141914"	160.880958	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"2M+2K"	77.926316
"581709"	221.839858	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"3M+2K"	77.926316
"1068581"	99.922058	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2K"	77.926316
"1100077"	200.851392	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2K+H"	78.933592
"1335689"	200.939007	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+DMSO+H"	79.021207
"1010554"	204.978176	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2ACN+H"	83.060376
"1526492"	205.971808	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+IsoProp+Na+H"	84.054008
"995132"	102.992726	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+2ACN+2H"	84.067652
"1590728"	206.886428	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+K+HCOOH"	84.968628
"1419668"	236.917938	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+H+CF3COOH"	115.000138
"1149227"	123.506001	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+3ACN+2H"	125.094202
"1698778"	253.944485	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+NH4+CF3COOH"	132.026685
"1635159"	258.89988	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+Na+CF3COOH"	136.98208
"1571904"	274.87382	"C19692"	"Polysulfide;(Sulfide)n;Polysulfane"	"H2Sn"	"121.9178"	"M+K+CF3COOH"	152.95602
"815397"	773.0071	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M"	0
"986741"	753.98871	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-H2O-H"	-19.01839
"68423"	514.330790666667	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M-3H"	-3.021828
"509077"	771.999824	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M-3H"	-3.021828
"892352"	256.661757333333	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-3H"	-3.021828
"4368"	771.999824	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H"	-2.014552
"445021"	1158.503374	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H"	-2.014552
"821728"	385.496274	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-2H"	-2.014552
"83907"	1545.006924	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M-H"	-1.007276
"525655"	2318.014024	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M-H"	-1.007276
"907831"	771.999824	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-H"	-1.007276
"57832"	1562.033471	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H+NH4"	16.019271
"489009"	2335.040571	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H+NH4"	16.019271
"866082"	789.026371	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-2H+NH4"	16.019271
"38722"	1566.988866	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H+Na"	20.974666
"479375"	2339.995966	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H+Na"	20.974666
"853899"	793.981766	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-2H+Na"	20.974666
"1623434"	793.981766	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Na-2H"	20.974666
"102149"	789.988163	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M-H+Cl"	33.962126
"548149"	1176.491713	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M-H+Cl"	33.962126
"939597"	403.484613	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-H+Cl"	33.962126
"278153"	1580.983602	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+Cl"	34.969402
"668387"	2353.990702	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+Cl"	34.969402
"1278603"	807.976502	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl"	34.969402
"20076"	1582.962806	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M-2H+K"	36.948606
"457082"	2355.969906	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M-2H+K"	36.948606
"834156"	809.955706	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-2H+K"	36.948606
"1560925"	809.955706	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+K-2H"	36.948606
"946621"	818.005294	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-H+HCOOH"	44.998194
"375778"	1591.012401	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+HCOOH-H"	44.998201
"359659"	1605.028051	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+Hac-H"	59.013851
"1507775"	832.020951	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Hac-H"	59.013851
"973128"	839.987251	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-H+NaCOOH"	66.980151
"124589"	807.976502	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+2Cl"	69.938804
"564264"	1194.480052	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+2Cl"	69.938804
"1034405"	421.472952	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2Cl"	69.938804
"1255806"	851.925985	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Br"	78.918885
"1317519"	853.981972	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl+HCOOH"	80.974872
"1327361"	875.963929	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl+NaCOOH"	102.956829
"920605"	885.992686	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M-H+CF3COOH"	112.985586
"1295126"	921.969364	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Cl+CF3COOH"	148.962264
"1373288"	737.994424	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H-2H2O"	-35.012676
"1392972"	756.0044	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H-H2O"	-17.0027
"291566"	1547.021476	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+H"	1.007276
"686174"	2320.028576	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+H"	1.007276
"1358149"	774.014376	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H"	1.007276
"135412"	774.014376	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+2H"	2.014552
"579716"	1160.517926	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+2H"	2.014552
"1051436"	387.510826	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2H"	2.014552
"219741"	516.345342666667	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+3H"	3.021828
"656707"	774.014376	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+3H"	3.021828
"1172647"	258.676309333333	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+3H"	3.021828
"432638"	1564.048023	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+NH4"	18.033823
"795822"	2337.055123	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+NH4"	18.033823
"1694340"	791.040923	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+NH4"	18.033823
"336060"	782.5276495	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+H+NH4"	19.041099
"735042"	1169.0311995	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+H+NH4"	19.041099
"1486676"	396.0240995	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H+NH4"	19.041099
"400981"	1569.003418	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+Na"	22.989218
"758696"	2342.010518	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+Na"	22.989218
"1610076"	795.996318	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Na"	22.989218
"317925"	785.005347	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+H+Na"	23.996494
"714721"	1171.508897	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+H+Na"	23.996494
"1468542"	398.501797	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H+Na"	23.996494
"1058507"	266.003623333333	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2H+Na"	25.00377
"1260187"	806.040586	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+CH3OH+H"	33.033486
"384228"	1584.977358	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+K"	38.963158
"744130"	2357.984458	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+K"	38.963158
"1548369"	811.970258	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+K"	38.963158
"306638"	792.992317	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+H+K"	39.970434
"696509"	1179.495867	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+H+K"	39.970434
"1449965"	406.488767	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H+K"	39.970434
"238568"	1588.048026	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+ACN+H"	42.033826
"1212005"	815.040926	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+ACN+H"	42.033826
"1197713"	408.024101	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+ACN+2H"	43.041102
"193501"	1590.98536	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+2Na-H"	44.97116
"629411"	2363.99246	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+2Na-H"	44.97116
"1134381"	817.97826	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2Na-H"	44.97116
"174756"	795.996318	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+2Na"	45.978436
"623799"	1182.499868	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+2Na"	45.978436
"1121476"	409.492768	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2Na"	45.978436
"1403177"	273.330937333333	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H+2Na"	46.985712
"1434564"	820.019846	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H+HCOOH"	47.012746
"225716"	801.02934	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+3H2O+2H"	56.04448
"1514872"	834.07189	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+IsoProp+H"	61.06479
"414557"	803.983288	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+Na+K"	61.952376
"777738"	1190.486838	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+Na+K"	61.952376
"1671881"	417.479738	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Na+K"	61.952376
"255486"	1610.029968	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+ACN+Na"	64.015768
"1229288"	837.022868	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+ACN+Na"	64.015768
"1714891"	837.046393	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+NH4+HCOOH"	64.039293
"1180006"	280.658251333333	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+3Na"	68.967654
"1651114"	842.001788	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Na+HCOOH"	68.994688
"158463"	1622.93324	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+2K-H"	76.91904
"597655"	2395.94034	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+2K-H"	76.91904
"1084227"	849.92614	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2K-H"	76.91904
"142874"	811.970258	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"2M+2K"	77.926316
"581574"	1198.473808	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"3M+2K"	77.926316
"1068636"	425.466708	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2K"	77.926316
"1100880"	851.940692	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2K+H"	78.933592
"1335886"	852.028307	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+DMSO+H"	79.021207
"1007505"	856.067476	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2ACN+H"	83.060376
"1526236"	857.061108	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+IsoProp+Na+H"	84.054008
"991348"	428.537376	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+2ACN+2H"	84.067652
"1588650"	857.975728	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+K+HCOOH"	84.968628
"1414670"	888.007238	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+H+CF3COOH"	115.000138
"1150067"	449.050651	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+3ACN+2H"	125.094202
"1697264"	905.033785	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+NH4+CF3COOH"	132.026685
"1634494"	909.98918	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+Na+CF3COOH"	136.98208
"1572014"	925.96312	"C19693"	"Reactive Blue 5"	"C29H20ClN7O11S3"	"773.0071"	"M+K+CF3COOH"	152.95602
"814414"	161.0688	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M"	0
"979197"	142.05041	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-H2O-H"	-19.01839
"64160"	106.371924	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M-3H"	-3.021828
"507001"	160.061524	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M-3H"	-3.021828
"895614"	52.682324	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-3H"	-3.021828
"13224"	160.061524	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M-2H"	-2.014552
"447317"	240.595924	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M-2H"	-2.014552
"826212"	79.527124	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-2H"	-2.014552
"92765"	321.130324	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M-H"	-1.007276
"533058"	482.199124	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M-H"	-1.007276
"910981"	160.061524	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-H"	-1.007276
"62442"	338.156871	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M-2H+NH4"	16.019271
"491308"	499.225671	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M-2H+NH4"	16.019271
"870932"	177.088071	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-2H+NH4"	16.019271
"42112"	343.112266	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M-2H+Na"	20.974666
"480578"	504.181066	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M-2H+Na"	20.974666
"858383"	182.043466	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-2H+Na"	20.974666
"1627918"	182.043466	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Na-2H"	20.974666
"107726"	178.049863	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M-H+Cl"	33.962126
"548138"	258.584263	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M-H+Cl"	33.962126
"942017"	97.515463	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-H+Cl"	33.962126
"278263"	357.107002	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+Cl"	34.969402
"670684"	518.175802	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+Cl"	34.969402
"1278713"	196.038202	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Cl"	34.969402
"26748"	359.086206	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M-2H+K"	36.948606
"460841"	520.155006	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M-2H+K"	36.948606
"840830"	198.017406	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-2H+K"	36.948606
"1562130"	198.017406	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+K-2H"	36.948606
"950013"	206.066994	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-H+HCOOH"	44.998194
"376618"	367.135801	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+HCOOH-H"	44.998201
"361108"	381.151451	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+Hac-H"	59.013851
"1507527"	220.082651	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Hac-H"	59.013851
"972872"	228.048951	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-H+NaCOOH"	66.980151
"125192"	196.038202	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+2Cl"	69.938804
"564625"	276.572602	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+2Cl"	69.938804
"1035975"	115.503802	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2Cl"	69.938804
"1255551"	239.987685	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Br"	78.918885
"1316905"	242.043672	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Cl+HCOOH"	80.974872
"1332211"	264.025629	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Cl+NaCOOH"	102.956829
"920716"	274.054386	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M-H+CF3COOH"	112.985586
"1295238"	310.031064	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Cl+CF3COOH"	148.962264
"1374491"	126.056124	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H-2H2O"	-35.012676
"1393082"	144.0661	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H-H2O"	-17.0027
"295325"	323.144876	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+H"	1.007276
"687380"	484.213676	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+H"	1.007276
"1360446"	162.076076	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H"	1.007276
"132242"	162.076076	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+2H"	2.014552
"580920"	242.610476	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+2H"	2.014552
"1052274"	81.541676	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2H"	2.014552
"219325"	108.386476	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+3H"	3.021828
"659613"	162.076076	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+3H"	3.021828
"1178462"	54.696876	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+3H"	3.021828
"433842"	340.171423	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+NH4"	18.033823
"795932"	501.240223	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+NH4"	18.033823
"1692264"	179.102623	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+NH4"	18.033823
"339450"	170.5893495	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+H+NH4"	19.041099
"734059"	251.1237495	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+H+NH4"	19.041099
"1486786"	90.0549495	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H+NH4"	19.041099
"403278"	345.126818	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+Na"	22.989218
"762086"	506.195618	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+Na"	22.989218
"1610186"	184.058018	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Na"	22.989218
"326782"	173.067047	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+H+Na"	23.996494
"719205"	253.601447	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+H+Na"	23.996494
"1470838"	92.532647	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H+Na"	23.996494
"1064084"	62.02419	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2H+Na"	25.00377
"1267951"	194.102286	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+CH3OH+H"	33.033486
"385431"	361.100758	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+K"	38.963158
"745335"	522.169558	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+K"	38.963158
"1549572"	200.031958	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+K"	38.963158
"308934"	181.054017	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+H+K"	39.970434
"702452"	261.588417	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+H+K"	39.970434
"1456272"	100.519617	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H+K"	39.970434
"237950"	364.171426	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+ACN+H"	42.033826
"1211386"	203.102626	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+ACN+H"	42.033826
"1195270"	102.054951	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+ACN+2H"	43.041102
"191059"	367.10876	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+2Na-H"	44.97116
"629521"	528.17756	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+2Na-H"	44.97116
"1135584"	206.03996	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2Na-H"	44.97116
"176690"	184.058018	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+2Na"	45.978436
"624273"	264.592418	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+2Na"	45.978436
"1124865"	103.523618	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2Na"	45.978436
"1405109"	69.351504	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H+2Na"	46.985712
"1439411"	208.081546	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H+HCOOH"	47.012746
"230200"	189.09104	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+3H2O+2H"	56.04448
"1519355"	222.13359	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+IsoProp+H"	61.06479
"419041"	192.044988	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+Na+K"	61.952376
"778942"	272.579388	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+Na+K"	61.952376
"1674179"	111.510588	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Na+K"	61.952376
"260701"	386.153368	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+ACN+Na"	64.015768
"1235597"	225.084568	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+ACN+Na"	64.015768
"1721202"	225.108093	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+NH4+HCOOH"	64.039293
"1185464"	76.678818	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+3Na"	68.967654
"1653172"	230.063488	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Na+HCOOH"	68.994688
"160033"	399.05664	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+2K-H"	76.91904
"597524"	560.12544	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+2K-H"	76.91904
"1084830"	237.98784	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2K-H"	76.91904
"142254"	200.031958	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"2M+2K"	77.926316
"582911"	280.566358	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"3M+2K"	77.926316
"1068552"	119.497558	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2K"	77.926316
"1101239"	240.002392	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2K+H"	78.933592
"1337138"	240.090007	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+DMSO+H"	79.021207
"1005704"	244.129176	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2ACN+H"	83.060376
"1524759"	245.122808	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+IsoProp+Na+H"	84.054008
"990238"	122.568226	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+2ACN+2H"	84.067652
"1588268"	246.037428	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+K+HCOOH"	84.968628
"1414214"	276.068938	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+H+CF3COOH"	115.000138
"1151270"	143.081501	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+3ACN+2H"	125.094202
"1698632"	293.095485	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+NH4+CF3COOH"	132.026685
"1634209"	298.05088	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+Na+CF3COOH"	136.98208
"1572124"	314.02482	"C19694"	"D-Alanyl-(R)-lactate;D-Alanyl-D-lactate;(2R)-2-(D-Alanyloxy)propanoic acid;(R)-2-(R)-2-Aminopropanoyloxypropanoic acid"	"C6H11NO4"	"161.0688"	"M+K+CF3COOH"	152.95602
"807965"	51.9716	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M"	0
"978217"	32.95321	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-H2O-H"	-19.01839
"68652"	33.6404573333333	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M-3H"	-3.021828
"503838"	50.964324	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M-3H"	-3.021828
"880421"	16.3165906666667	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-3H"	-3.021828
"335"	50.964324	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M-2H"	-2.014552
"442685"	76.950124	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M-2H"	-2.014552
"819760"	24.978524	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-2H"	-2.014552
"80121"	102.935924	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M-H"	-1.007276
"519313"	154.907524	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M-H"	-1.007276
"896019"	50.964324	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-H"	-1.007276
"47481"	119.962471	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M-2H+NH4"	16.019271
"496524"	171.934071	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M-2H+NH4"	16.019271
"867032"	67.990871	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-2H+NH4"	16.019271
"35664"	124.917866	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M-2H+Na"	20.974666
"474494"	176.889466	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M-2H+Na"	20.974666
"851568"	72.946266	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-2H+Na"	20.974666
"1622194"	72.946266	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Na-2H"	20.974666
"99451"	68.952663	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M-H+Cl"	33.962126
"541928"	94.938463	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M-H+Cl"	33.962126
"935443"	42.966863	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-H+Cl"	33.962126
"273999"	138.912602	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+Cl"	34.969402
"663151"	190.884202	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+Cl"	34.969402
"1273610"	86.941002	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Cl"	34.969402
"22486"	140.891806	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M-2H+K"	36.948606
"464233"	192.863406	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M-2H+K"	36.948606
"838754"	88.920206	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-2H+K"	36.948606
"1571227"	88.920206	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+K-2H"	36.948606
"958402"	96.969794	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-H+HCOOH"	44.998194
"376748"	148.941401	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+HCOOH-H"	44.998201
"361106"	162.957051	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+Hac-H"	59.013851
"1507392"	110.985451	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Hac-H"	59.013851
"971888"	118.951751	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-H+NaCOOH"	66.980151
"123713"	86.941002	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+2Cl"	69.938804
"561446"	112.926802	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+2Cl"	69.938804
"1030244"	60.955202	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2Cl"	69.938804
"1249823"	130.890485	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Br"	78.918885
"1312270"	132.946472	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Cl+HCOOH"	80.974872
"1324301"	154.928429	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Cl+NaCOOH"	102.956829
"920826"	164.957186	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M-H+CF3COOH"	112.985586
"1293525"	200.933864	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Cl+CF3COOH"	148.962264
"1375697"	16.958924	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H-2H2O"	-35.012676
"1394290"	34.9689	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H-H2O"	-17.0027
"295433"	104.950476	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+H"	1.007276
"683115"	156.922076	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+H"	1.007276
"1365302"	52.978876	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H"	1.007276
"139529"	52.978876	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+2H"	2.014552
"581157"	78.964676	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+2H"	2.014552
"1049102"	26.993076	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2H"	2.014552
"217368"	35.6550093333333	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+3H"	3.021828
"657663"	52.978876	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+3H"	3.021828
"1172873"	18.3311426666667	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+3H"	3.021828
"431770"	121.977023	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+NH4"	18.033823
"792766"	173.948623	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+NH4"	18.033823
"1690190"	70.005423	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+NH4"	18.033823
"342478"	61.4921495	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+H+NH4"	19.041099
"734169"	87.4779495	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+H+NH4"	19.041099
"1483616"	35.5063495	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H+NH4"	19.041099
"405941"	126.932418	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+Na"	22.989218
"765479"	178.904018	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+Na"	22.989218
"1612483"	74.960818	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Na"	22.989218
"327867"	63.969847	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+H+Na"	23.996494
"720046"	89.955647	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+H+Na"	23.996494
"1468762"	37.984047	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H+Na"	23.996494
"1059820"	25.6584566666667	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2H+Na"	25.00377
"1264781"	85.005086	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+CH3OH+H"	33.033486
"385542"	142.906358	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+K"	38.963158
"743256"	194.877958	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+K"	38.963158
"1545312"	90.934758	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+K"	38.963158
"301394"	71.956817	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+H+K"	39.970434
"693817"	97.942617	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+H+K"	39.970434
"1447268"	45.971017	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H+K"	39.970434
"236600"	145.977026	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+ACN+H"	42.033826
"1211133"	94.005426	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+ACN+H"	42.033826
"1196840"	47.506351	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+ACN+2H"	43.041102
"188891"	148.91436	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+2Na-H"	44.97116
"630852"	200.88596	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+2Na-H"	44.97116
"1134607"	96.94276	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2Na-H"	44.97116
"181907"	74.960818	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+2Na"	45.978436
"622928"	100.946618	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+2Na"	45.978436
"1123882"	48.975018	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2Na"	45.978436
"1401938"	32.9857706666667	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H+2Na"	46.985712
"1431138"	98.984346	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H+HCOOH"	47.012746
"223020"	79.99384	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+3H2O+2H"	56.04448
"1519465"	113.03639	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+IsoProp+H"	61.06479
"414777"	82.947788	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+Na+K"	61.952376
"773950"	108.933588	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+Na+K"	61.952376
"1672105"	56.961988	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Na+K"	61.952376
"259723"	167.958968	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+ACN+Na"	64.015768
"1232431"	115.987368	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+ACN+Na"	64.015768
"1716943"	116.010893	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+NH4+HCOOH"	64.039293
"1183391"	40.3130846666667	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+3Na"	68.967654
"1652554"	120.966288	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Na+HCOOH"	68.994688
"158199"	180.86224	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+2K-H"	76.91904
"598973"	232.83384	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+2K-H"	76.91904
"1084287"	128.89064	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2K-H"	76.91904
"141584"	90.934758	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"2M+2K"	77.926316
"581461"	116.920558	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"3M+2K"	77.926316
"1069355"	64.948958	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2K"	77.926316
"1100376"	130.905192	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2K+H"	78.933592
"1335666"	130.992807	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+DMSO+H"	79.021207
"1006143"	135.031976	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2ACN+H"	83.060376
"1524209"	136.025608	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+IsoProp+Na+H"	84.054008
"989950"	68.019626	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+2ACN+2H"	84.067652
"1588868"	136.940228	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+K+HCOOH"	84.968628
"1422187"	166.971738	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+H+CF3COOH"	115.000138
"1159039"	88.532901	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+3ACN+2H"	125.094202
"1706403"	183.998285	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+NH4+CF3COOH"	132.026685
"1644242"	188.95368	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+Na+CF3COOH"	136.98208
"1578800"	204.92762	"C19697"	"Hypochlorous acid;Hypochlorite;HClO"	"HClO"	"51.9716"	"M+K+CF3COOH"	152.95602
"801917"	453.0283	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M"	0
"978327"	434.00991	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-H2O-H"	-19.01839
"68761"	301.011590666667	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M-3H"	-3.021828
"505040"	452.021024	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M-3H"	-3.021828
"883935"	150.002157333333	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-3H"	-3.021828
"443"	452.021024	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M-2H"	-2.014552
"442068"	678.535174	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M-2H"	-2.014552
"822057"	225.506874	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-2H"	-2.014552
"80958"	905.049324	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M-H"	-1.007276
"520882"	1358.077624	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M-H"	-1.007276
"897590"	452.021024	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-H"	-1.007276
"49048"	922.075871	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M-2H+NH4"	16.019271
"492258"	1375.104171	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M-2H+NH4"	16.019271
"867137"	469.047571	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-2H+NH4"	16.019271
"36868"	927.031266	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M-2H+Na"	20.974666
"475333"	1380.059566	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M-2H+Na"	20.974666
"850216"	474.002966	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-2H+Na"	20.974666
"1621209"	474.002966	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Na-2H"	20.974666
"103570"	470.009363	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M-H+Cl"	33.962126
"539851"	696.523513	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M-H+Cl"	33.962126
"935551"	243.495213	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-H+Cl"	33.962126
"270829"	941.026002	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+Cl"	34.969402
"661790"	1394.054302	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+Cl"	34.969402
"1274571"	487.997702	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Cl"	34.969402
"20408"	943.005206	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M-2H+K"	36.948606
"465435"	1396.033506	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M-2H+K"	36.948606
"837769"	489.976906	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-2H+K"	36.948606
"1570988"	489.976906	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+K-2H"	36.948606
"958269"	498.026494	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-H+HCOOH"	44.998194
"376484"	951.054801	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+HCOOH-H"	44.998201
"361220"	965.070451	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+Hac-H"	59.013851
"1507013"	512.042151	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Hac-H"	59.013851
"971633"	520.008451	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-H+NaCOOH"	66.980151
"123821"	487.997702	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+2Cl"	69.938804
"564473"	714.511852	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+2Cl"	69.938804
"1033635"	261.483552	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2Cl"	69.938804
"1251027"	531.947185	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Br"	78.918885
"1319669"	534.003172	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Cl+HCOOH"	80.974872
"1326596"	555.985129	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Cl+NaCOOH"	102.956829
"923121"	566.013886	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M-H+CF3COOH"	112.985586
"1300559"	601.990564	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Cl+CF3COOH"	148.962264
"1374710"	418.015624	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H-2H2O"	-35.012676
"1388927"	436.0256	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H-H2O"	-17.0027
"289709"	907.063876	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+H"	1.007276
"683225"	1360.092176	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+H"	1.007276
"1363588"	454.035576	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H"	1.007276
"137207"	454.035576	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+2H"	2.014552
"577495"	680.549726	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+2H"	2.014552
"1045198"	227.521426	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2H"	2.014552
"214925"	303.026142666667	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+3H"	3.021828
"655220"	454.035576	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+3H"	3.021828
"1169701"	152.016709333333	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+3H"	3.021828
"428600"	924.090423	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+NH4"	18.033823
"793970"	1377.118723	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+NH4"	18.033823
"1687020"	471.062123	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+NH4"	18.033823
"338578"	462.5488495	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+H+NH4"	19.041099
"730999"	689.0629995	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+H+NH4"	19.041099
"1483726"	236.0346995	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H+NH4"	19.041099
"404229"	929.045818	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+Na"	22.989218
"765590"	1382.074118	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+Na"	22.989218
"1614415"	476.017518	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Na"	22.989218
"327371"	465.026547	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+H+Na"	23.996494
"717238"	691.540697	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+H+Na"	23.996494
"1471058"	238.512397	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H+Na"	23.996494
"1056650"	159.344023333333	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2H+Na"	25.00377
"1264893"	486.061786	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+CH3OH+H"	33.033486
"383467"	945.019758	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+K"	38.963158
"742273"	1398.048058	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+K"	38.963158
"1544328"	491.991458	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+K"	38.963158
"300777"	473.013517	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+H+K"	39.970434
"692104"	699.527667	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+H+K"	39.970434
"1448109"	246.499367	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H+K"	39.970434
"235852"	948.090426	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+ACN+H"	42.033826
"1210514"	495.062126	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+ACN+H"	42.033826
"1195615"	248.034701	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+ACN+2H"	43.041102
"188716"	951.02776	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+2Na-H"	44.97116
"630597"	1404.05606	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+2Na-H"	44.97116
"1133623"	497.99946	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2Na-H"	44.97116
"183110"	476.017518	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+2Na"	45.978436
"619392"	702.531668	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+2Na"	45.978436
"1122899"	249.503368	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2Na"	45.978436
"1400225"	166.671337333333	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H+2Na"	46.985712
"1432705"	500.041046	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H+HCOOH"	47.012746
"220496"	481.05054	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+3H2O+2H"	56.04448
"1517388"	514.09309	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+IsoProp+H"	61.06479
"414888"	484.004488	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+Na+K"	61.952376
"778070"	710.518638	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+Na+K"	61.952376
"1671122"	257.490338	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Na+K"	61.952376
"262018"	970.072368	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+ACN+Na"	64.015768
"1230354"	517.044068	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+ACN+Na"	64.015768
"1717053"	517.067593	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+NH4+HCOOH"	64.039293
"1184594"	173.998651333333	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+3Na"	68.967654
"1652665"	522.022988	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Na+HCOOH"	68.994688
"157458"	982.97564	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+2K-H"	76.91904
"598111"	1436.00394	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+2K-H"	76.91904
"1084318"	529.94734	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2K-H"	76.91904
"141867"	491.991458	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"2M+2K"	77.926316
"582643"	718.505608	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"3M+2K"	77.926316
"1069345"	265.477308	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2K"	77.926316
"1101704"	531.961892	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2K+H"	78.933592
"1335898"	532.049507	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+DMSO+H"	79.021207
"1006619"	536.088676	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2ACN+H"	83.060376
"1524212"	537.082308	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+IsoProp+Na+H"	84.054008
"991193"	268.547976	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+2ACN+2H"	84.067652
"1588250"	537.996928	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+K+HCOOH"	84.968628
"1415734"	568.028438	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+H+CF3COOH"	115.000138
"1147478"	289.061251	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+3ACN+2H"	125.094202
"1706513"	585.054985	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+NH4+CF3COOH"	132.026685
"1641072"	590.01038	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+Na+CF3COOH"	136.98208
"1578910"	605.98432	"C19698"	"34-Bis(7-chloroindol-3-yl)pyrrole-25-dicarboxylate;Dichlorochromopyrrolate"	"C22H13Cl2N3O4"	"453.0283"	"M+K+CF3COOH"	152.95602
"809278"	393.0072	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M"	0
"983905"	373.98881	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-H2O-H"	-19.01839
"68871"	260.997524	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M-3H"	-3.021828
"508428"	391.999924	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M-3H"	-3.021828
"884045"	129.995124	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-3H"	-3.021828
"3713"	391.999924	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M-2H"	-2.014552
"444365"	588.503524	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M-2H"	-2.014552
"822168"	195.496324	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-2H"	-2.014552
"83255"	785.007124	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M-H"	-1.007276
"522815"	1178.014324	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M-H"	-1.007276
"898065"	391.999924	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-H"	-1.007276
"50982"	802.033671	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M-2H+NH4"	16.019271
"492369"	1195.040871	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M-2H+NH4"	16.019271
"867253"	409.026471	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-2H+NH4"	16.019271
"38074"	806.989066	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M-2H+Na"	20.974666
"474352"	1199.996266	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M-2H+Na"	20.974666
"852154"	413.981866	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-2H+Na"	20.974666
"1622779"	413.981866	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Na-2H"	20.974666
"101494"	409.988263	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M-H+Cl"	33.962126
"538867"	606.491863	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M-H+Cl"	33.962126
"936754"	213.484663	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-H+Cl"	33.962126
"275311"	820.983802	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+Cl"	34.969402
"660565"	1213.991002	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+Cl"	34.969402
"1273464"	427.976602	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Cl"	34.969402
"20517"	822.963006	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M-2H+K"	36.948606
"464451"	1215.970206	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M-2H+K"	36.948606
"836785"	429.955806	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-2H+K"	36.948606
"1571169"	429.955806	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+K-2H"	36.948606
"958216"	438.005394	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-H+HCOOH"	44.998194
"376311"	831.012601	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+HCOOH-H"	44.998201
"359743"	845.028251	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+Hac-H"	59.013851
"1504930"	452.021051	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Hac-H"	59.013851
"966637"	459.987351	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-H+NaCOOH"	66.980151
"113358"	427.976602	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+2Cl"	69.938804
"557292"	624.480202	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+2Cl"	69.938804
"1027184"	231.473002	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2Cl"	69.938804
"1247856"	471.926085	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Br"	78.918885
"1310304"	473.982072	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Cl+HCOOH"	80.974872
"1322333"	495.964029	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Cl+NaCOOH"	102.956829
"917764"	505.992786	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M-H+CF3COOH"	112.985586
"1292286"	541.969464	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Cl+CF3COOH"	148.962264
"1369354"	357.994524	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H-2H2O"	-35.012676
"1390131"	376.0045	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H-H2O"	-17.0027
"289819"	787.021676	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+H"	1.007276
"686615"	1180.028876	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+H"	1.007276
"1362605"	394.014476	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H"	1.007276
"138411"	394.014476	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+2H"	2.014552
"578697"	590.518076	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+2H"	2.014552
"1048587"	197.510876	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2H"	2.014552
"208835"	263.012076	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+3H"	3.021828
"650585"	394.014476	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+3H"	3.021828
"1165063"	132.009676	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+3H"	3.021828
"431990"	804.048223	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+NH4"	18.033823
"796996"	1197.055423	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+NH4"	18.033823
"1688954"	411.041023	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+NH4"	18.033823
"340876"	402.5277495	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+H+NH4"	19.041099
"731474"	599.0313495	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+H+NH4"	19.041099
"1481649"	206.0241495	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H+NH4"	19.041099
"405068"	809.003618	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+Na"	22.989218
"768129"	1202.010818	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+Na"	22.989218
"1615618"	415.996418	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Na"	22.989218
"328089"	405.005447	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+H+Na"	23.996494
"714067"	601.509047	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+H+Na"	23.996494
"1468981"	208.501847	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H+Na"	23.996494
"1062226"	139.33699	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2H+Na"	25.00377
"1266096"	426.040686	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+CH3OH+H"	33.033486
"386855"	824.977558	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+K"	38.963158
"745662"	1217.984758	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+K"	38.963158
"1545531"	431.970358	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+K"	38.963158
"300159"	412.992417	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+H+K"	39.970434
"693672"	609.496017	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+H+K"	39.970434
"1447855"	216.488817	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H+K"	39.970434
"235859"	828.048226	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+ACN+H"	42.033826
"1210066"	435.041026	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+ACN+H"	42.033826
"1197428"	218.024151	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+ACN+2H"	43.041102
"189566"	830.98556	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+2Na-H"	44.97116
"630951"	1223.99276	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+2Na-H"	44.97116
"1133369"	437.97836	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2Na-H"	44.97116
"182127"	415.996418	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+2Na"	45.978436
"619502"	612.500018	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+2Na"	45.978436
"1126288"	219.492818	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2Na"	45.978436
"1407991"	146.664304	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H+2Na"	46.985712
"1435368"	440.019946	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H+HCOOH"	47.012746
"222876"	421.02944	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+3H2O+2H"	56.04448
"1518591"	454.07199	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+IsoProp+H"	61.06479
"416091"	423.983388	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+Na+K"	61.952376
"778180"	620.486988	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+Na+K"	61.952376
"1671231"	227.479788	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Na+K"	61.952376
"262128"	850.030168	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+ACN+Na"	64.015768
"1231557"	457.022968	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+ACN+Na"	64.015768
"1713067"	457.046493	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+NH4+HCOOH"	64.039293
"1186892"	153.991618	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+3Na"	68.967654
"1653868"	462.001888	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Na+HCOOH"	68.994688
"158541"	862.93344	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+2K-H"	76.91904
"599924"	1255.94064	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+2K-H"	76.91904
"1084960"	469.92624	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2K-H"	76.91904
"141418"	431.970358	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"2M+2K"	77.926316
"582227"	628.473958	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"3M+2K"	77.926316
"1068524"	235.466758	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2K"	77.926316
"1101815"	471.940792	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2K+H"	78.933592
"1336494"	472.028407	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+DMSO+H"	79.021207
"1005873"	476.067576	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2ACN+H"	83.060376
"1524975"	477.061208	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+IsoProp+Na+H"	84.054008
"991302"	238.537426	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+2ACN+2H"	84.067652
"1591274"	477.975828	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+K+HCOOH"	84.968628
"1415844"	508.007338	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+H+CF3COOH"	115.000138
"1147225"	259.050701	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+3ACN+2H"	125.094202
"1706623"	525.033885	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+NH4+CF3COOH"	132.026685
"1644463"	529.98928	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+Na+CF3COOH"	136.98208
"1579020"	545.96322	"C19699"	"Dichloroarcyriaflavin A;Rebeccamycin aglycon"	"C20H9Cl2N3O2"	"393.0072"	"M+K+CF3COOH"	152.95602
"809388"	555.06	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M"	0
"987295"	536.04161	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-H2O-H"	-19.01839
"75541"	369.032724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M-3H"	-3.021828
"512914"	554.052724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M-3H"	-3.021828
"890716"	184.012724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-3H"	-3.021828
"12572"	554.052724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M-2H"	-2.014552
"447756"	831.582724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M-2H"	-2.014552
"828839"	276.522724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-2H"	-2.014552
"85553"	1109.112724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M-H"	-1.007276
"526207"	1664.172724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M-H"	-1.007276
"899635"	554.052724	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-H"	-1.007276
"51822"	1126.139271	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M-2H+NH4"	16.019271
"492479"	1681.199271	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M-2H+NH4"	16.019271
"869186"	571.079271	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-2H+NH4"	16.019271
"40371"	1131.094666	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M-2H+Na"	20.974666
"474463"	1686.154666	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M-2H+Na"	20.974666
"857730"	576.034666	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-2H+Na"	20.974666
"1627263"	576.034666	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Na-2H"	20.974666
"102698"	572.041063	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M-H+Cl"	33.962126
"541164"	849.571063	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M-H+Cl"	33.962126
"936864"	294.511063	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-H+Cl"	33.962126
"276514"	1145.089402	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+Cl"	34.969402
"663471"	1700.149402	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+Cl"	34.969402
"1274547"	590.029402	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Cl"	34.969402
"16128"	1147.068606	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M-2H+K"	36.948606
"464561"	1702.128606	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M-2H+K"	36.948606
"841269"	592.008606	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-2H+K"	36.948606
"1570933"	592.008606	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+K-2H"	36.948606
"958125"	600.058194	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-H+HCOOH"	44.998194
"376099"	1155.118201	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+HCOOH-H"	44.998201
"359862"	1169.133851	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+Hac-H"	59.013851
"1507597"	614.073851	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Hac-H"	59.013851
"972585"	622.040151	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-H+NaCOOH"	66.980151
"123677"	590.029402	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+2Cl"	69.938804
"564334"	867.559402	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+2Cl"	69.938804
"1034590"	312.499402	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2Cl"	69.938804
"1254527"	633.978885	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Br"	78.918885
"1316973"	636.034872	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Cl+HCOOH"	80.974872
"1331190"	658.016829	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Cl+NaCOOH"	102.956829
"925771"	668.045586	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M-H+CF3COOH"	112.985586
"1302967"	704.022264	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Cl+CF3COOH"	148.962264
"1377116"	520.047324	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H-2H2O"	-35.012676
"1392427"	538.0573	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H-H2O"	-17.0027
"287741"	1111.127276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+H"	1.007276
"682348"	1666.187276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+H"	1.007276
"1363076"	556.067276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H"	1.007276
"139979"	556.067276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+2H"	2.014552
"580878"	833.597276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+2H"	2.014552
"1049793"	278.537276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2H"	2.014552
"208945"	371.047276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+3H"	3.021828
"653975"	556.067276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+3H"	3.021828
"1169912"	186.027276	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+3H"	3.021828
"429902"	1128.153823	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+NH4"	18.033823
"795283"	1683.213823	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+NH4"	18.033823
"1692708"	573.093823	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+NH4"	18.033823
"339893"	564.5805495	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+H+NH4"	19.041099
"732312"	842.1105495	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+H+NH4"	19.041099
"1487226"	287.0505495	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H+NH4"	19.041099
"405178"	1133.109218	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+Na"	22.989218
"767996"	1688.169218	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+Na"	22.989218
"1615728"	578.049218	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Na"	22.989218
"326859"	567.058247	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+H+Na"	23.996494
"714177"	844.588247	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+H+Na"	23.996494
"1469091"	289.528247	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H+Na"	23.996494
"1062334"	193.35459	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2H+Na"	25.00377
"1270578"	588.093486	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+CH3OH+H"	33.033486
"386966"	1149.083158	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+K"	38.963158
"743587"	1704.143158	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+K"	38.963158
"1546734"	594.023158	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+K"	38.963158
"307194"	575.045217	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+H+K"	39.970434
"695605"	852.575217	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+H+K"	39.970434
"1451246"	297.515217	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H+K"	39.970434
"239119"	1152.153826	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+ACN+H"	42.033826
"1212923"	597.093826	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+ACN+H"	42.033826
"1200819"	299.050551	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+ACN+2H"	43.041102
"191866"	1155.09116	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+2Na-H"	44.97116
"633250"	1710.15116	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+2Na-H"	44.97116
"1140039"	600.03116	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2Na-H"	44.97116
"183330"	578.049218	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+2Na"	45.978436
"623986"	855.579218	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+2Na"	45.978436
"1125307"	300.519218	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2Na"	45.978436
"1410289"	200.681904	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H+2Na"	46.985712
"1440581"	602.072746	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H+HCOOH"	47.012746
"225173"	583.08224	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+3H2O+2H"	56.04448
"1518701"	616.12479	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+IsoProp+H"	61.06479
"419481"	586.036188	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+Na+K"	61.952376
"779383"	863.566188	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+Na+K"	61.952376
"1673528"	308.506188	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Na+K"	61.952376
"263330"	1174.135768	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+ACN+Na"	64.015768
"1240414"	619.075768	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+ACN+Na"	64.015768
"1714357"	619.099293	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+NH4+HCOOH"	64.039293
"1187002"	208.009218	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+3Na"	68.967654
"1654708"	624.054688	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Na+HCOOH"	68.994688
"159382"	1187.03904	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+2K-H"	76.91904
"598577"	1742.09904	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+2K-H"	76.91904
"1088921"	631.97904	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2K-H"	76.91904
"142821"	594.023158	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"2M+2K"	77.926316
"582380"	871.553158	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"3M+2K"	77.926316
"1069807"	316.493158	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2K"	77.926316
"1101196"	633.993592	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2K+H"	78.933592
"1336605"	634.081207	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+DMSO+H"	79.021207
"1006592"	638.120376	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2ACN+H"	83.060376
"1526421"	639.114008	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+IsoProp+Na+H"	84.054008
"992872"	319.563826	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+2ACN+2H"	84.067652
"1591384"	640.028628	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+K+HCOOH"	84.968628
"1415954"	670.060138	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+H+CF3COOH"	115.000138
"1147699"	340.077101	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+3ACN+2H"	125.094202
"1706733"	687.086685	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+NH4+CF3COOH"	132.026685
"1644573"	692.04208	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+Na+CF3COOH"	136.98208
"1579130"	708.01602	"C19700"	"4-O-Demethylrebeccamycin"	"C26H19Cl2N3O7"	"555.06"	"M+K+CF3COOH"	152.95602
"806217"	569.0757	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M"	0
"984125"	550.05731	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-H2O-H"	-19.01839
"67998"	378.376524	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M-3H"	-3.021828
"506461"	568.068424	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M-3H"	-3.021828
"886451"	188.684624	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-3H"	-3.021828
"8307"	568.068424	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M-2H"	-2.014552
"446773"	852.606274	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M-2H"	-2.014552
"831136"	283.530574	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-2H"	-2.014552
"88942"	1137.144124	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M-H"	-1.007276
"532393"	1706.219824	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M-H"	-1.007276
"900840"	568.068424	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-H"	-1.007276
"51933"	1154.170671	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M-2H+NH4"	16.019271
"495869"	1723.246371	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M-2H+NH4"	16.019271
"870390"	585.094971	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-2H+NH4"	16.019271
"43761"	1159.126066	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M-2H+Na"	20.974666
"477853"	1728.201766	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M-2H+Na"	20.974666
"857840"	590.050366	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-2H+Na"	20.974666
"1630653"	590.050366	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Na-2H"	20.974666
"103901"	586.056763	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M-H+Cl"	33.962126
"543461"	870.594613	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M-H+Cl"	33.962126
"938067"	301.518913	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-H+Cl"	33.962126
"280999"	1173.120802	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+Cl"	34.969402
"665768"	1742.196502	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+Cl"	34.969402
"1275022"	604.045102	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Cl"	34.969402
"19641"	1175.100006	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M-2H+K"	36.948606
"465765"	1744.175706	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M-2H+K"	36.948606
"844659"	606.024306	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-2H+K"	36.948606
"1571191"	606.024306	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+K-2H"	36.948606
"958196"	614.073894	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-H+HCOOH"	44.998194
"376696"	1183.149601	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+HCOOH-H"	44.998201
"361347"	1197.165251	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+Hac-H"	59.013851
"1507705"	628.089551	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Hac-H"	59.013851
"972329"	636.055851	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-H+NaCOOH"	66.980151
"122328"	604.045102	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+2Cl"	69.938804
"562619"	888.582952	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+2Cl"	69.938804
"1034332"	319.507252	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2Cl"	69.938804
"1250263"	647.994585	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Br"	78.918885
"1319271"	650.050572	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Cl+HCOOH"	80.974872
"1328019"	672.032529	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Cl+NaCOOH"	102.956829
"922722"	682.061286	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M-H+CF3COOH"	112.985586
"1301617"	718.037964	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Cl+CF3COOH"	148.962264
"1379050"	534.063024	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H-2H2O"	-35.012676
"1390350"	552.073	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H-H2O"	-17.0027
"287851"	1139.158676	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+H"	1.007276
"685740"	1708.234376	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+H"	1.007276
"1360270"	570.082976	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H"	1.007276
"140089"	570.082976	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+2H"	2.014552
"577824"	854.620826	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+2H"	2.014552
"1048809"	285.545126	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2H"	2.014552
"208323"	380.391076	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+3H"	3.021828
"648615"	570.082976	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+3H"	3.021828
"1171115"	190.699176	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+3H"	3.021828
"432198"	1156.185223	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+NH4"	18.033823
"795393"	1725.260923	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+NH4"	18.033823
"1690632"	587.109523	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+NH4"	18.033823
"341096"	578.5962495	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+H+NH4"	19.041099
"733516"	863.1340995	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+H+NH4"	19.041099
"1490617"	294.0583995	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H+NH4"	19.041099
"407719"	1161.140618	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+Na"	22.989218
"764825"	1730.216318	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+Na"	22.989218
"1617783"	592.064918	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Na"	22.989218
"329796"	581.073947	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+H+Na"	23.996494
"720848"	865.611797	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+H+Na"	23.996494
"1474669"	296.536097	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H+Na"	23.996494
"1062445"	198.02649	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2H+Na"	25.00377
"1270688"	602.109186	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+CH3OH+H"	33.033486
"392466"	1177.114558	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+K"	38.963158
"746978"	1746.190258	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+K"	38.963158
"1546845"	608.038858	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+K"	38.963158
"310584"	589.060917	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+H+K"	39.970434
"694621"	873.598767	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+H+K"	39.970434
"1452450"	304.523067	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H+K"	39.970434
"239958"	1180.185226	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+ACN+H"	42.033826
"1217043"	611.109526	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+ACN+H"	42.033826
"1200929"	306.058401	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+ACN+2H"	43.041102
"192340"	1183.12256	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+2Na-H"	44.97116
"633360"	1752.19826	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+2Na-H"	44.97116
"1136869"	614.04686	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2Na-H"	44.97116
"184535"	592.064918	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+2Na"	45.978436
"621911"	876.602768	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+2Na"	45.978436
"1125418"	307.527068	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2Na"	45.978436
"1406753"	205.353804	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H+2Na"	46.985712
"1435588"	616.088446	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H+HCOOH"	47.012746
"229658"	597.09794	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+3H2O+2H"	56.04448
"1522092"	630.14049	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+IsoProp+H"	61.06479
"421779"	600.051888	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+Na+K"	61.952376
"781681"	884.589738	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+Na+K"	61.952376
"1678012"	315.514038	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Na+K"	61.952376
"263438"	1202.167168	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+ACN+Na"	64.015768
"1239433"	633.091468	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+ACN+Na"	64.015768
"1717383"	633.114993	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+NH4+HCOOH"	64.039293
"1187112"	212.681118	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+3Na"	68.967654
"1654818"	638.070388	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Na+HCOOH"	68.994688
"160220"	1215.07044	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+2K-H"	76.91904
"600146"	1784.14614	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+2K-H"	76.91904
"1087938"	645.99474	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2K-H"	76.91904
"144025"	608.038858	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"2M+2K"	77.926316
"583948"	892.576708	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"3M+2K"	77.926316
"1071010"	323.501008	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2K"	77.926316
"1103128"	648.009292	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2K+H"	78.933592
"1338417"	648.096907	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+DMSO+H"	79.021207
"1007312"	652.136076	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2ACN+H"	83.060376
"1526531"	653.129708	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+IsoProp+Na+H"	84.054008
"991886"	326.571676	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+2ACN+2H"	84.067652
"1592588"	654.044328	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+K+HCOOH"	84.968628
"1416059"	684.075838	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+H+CF3COOH"	115.000138
"1148895"	347.084951	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+3ACN+2H"	125.094202
"1703563"	701.102385	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+NH4+CF3COOH"	132.026685
"1646870"	706.05778	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+Na+CF3COOH"	136.98208
"1579240"	722.03172	"C19701"	"Rebeccamycin"	"C27H21Cl2N3O7"	"569.0757"	"M+K+CF3COOH"	152.95602
"804140"	341.1322	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M"	0
"982046"	322.11381	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H2O-H"	-19.01839
"71389"	226.414190666667	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-3H"	-3.021828
"508760"	340.124924	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-3H"	-3.021828
"893123"	112.703457333333	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-3H"	-3.021828
"10604"	340.124924	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H"	-2.014552
"447977"	510.691024	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H"	-2.014552
"830152"	169.558824	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H"	-2.014552
"86865"	681.257124	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-H"	-1.007276
"529707"	1022.389324	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-H"	-1.007276
"900950"	340.124924	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H"	-1.007276
"54230"	698.283671	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H+NH4"	16.019271
"493793"	1039.415871	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H+NH4"	16.019271
"871594"	357.151471	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H+NH4"	16.019271
"43871"	703.239066	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H+Na"	20.974666
"477963"	1044.371266	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H+Na"	20.974666
"857950"	362.106866	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H+Na"	20.974666
"1631856"	362.106866	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na-2H"	20.974666
"105104"	358.113263	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-H+Cl"	33.962126
"544664"	528.679363	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-H+Cl"	33.962126
"937084"	187.547163	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+Cl"	33.962126
"281109"	717.233802	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Cl"	34.969402
"668065"	1058.366002	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+Cl"	34.969402
"1276099"	376.101602	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl"	34.969402
"19750"	719.213006	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M-2H+K"	36.948606
"465875"	1060.345206	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M-2H+K"	36.948606
"844405"	378.080806	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-2H+K"	36.948606
"1570994"	378.080806	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+K-2H"	36.948606
"958335"	386.130394	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+HCOOH"	44.998194
"376442"	727.262601	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+HCOOH-H"	44.998201
"361285"	741.278251	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Hac-H"	59.013851
"1507936"	400.146051	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Hac-H"	59.013851
"972318"	408.112351	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+NaCOOH"	66.980151
"124262"	376.101602	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2Cl"	69.938804
"564552"	546.667702	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2Cl"	69.938804
"1034809"	205.535502	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2Cl"	69.938804
"1251466"	420.051085	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Br"	78.918885
"1319342"	422.107072	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl+HCOOH"	80.974872
"1329221"	444.089029	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl+NaCOOH"	102.956829
"922831"	454.117786	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M-H+CF3COOH"	112.985586
"1303916"	490.094464	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Cl+CF3COOH"	148.962264
"1381712"	306.119524	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H-2H2O"	-35.012676
"1392647"	324.1295	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H-H2O"	-17.0027
"292334"	683.271676	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H"	1.007276
"687309"	1024.403876	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H"	1.007276
"1360744"	342.139476	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H"	1.007276
"135821"	342.139476	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2H"	2.014552
"577568"	512.705576	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2H"	2.014552
"1049283"	171.573376	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2H"	2.014552
"209526"	228.428742666667	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+3H"	3.021828
"649089"	342.139476	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+3H"	3.021828
"1170131"	114.718009333333	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+3H"	3.021828
"429028"	700.298223	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+NH4"	18.033823
"793307"	1041.430423	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+NH4"	18.033823
"1694017"	359.166023	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+NH4"	18.033823
"340111"	350.6527495	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H+NH4"	19.041099
"730345"	521.2188495	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H+NH4"	19.041099
"1485259"	180.0866495	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+NH4"	19.041099
"403939"	705.253618	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Na"	22.989218
"761654"	1046.385818	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+Na"	22.989218
"1617934"	364.121418	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na"	22.989218
"325257"	353.130447	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H+Na"	23.996494
"722096"	523.696547	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H+Na"	23.996494
"1471498"	182.564347	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+Na"	23.996494
"1062555"	122.045323333333	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2H+Na"	25.00377
"1267514"	374.165686	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+CH3OH+H"	33.033486
"390467"	721.227558	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+K"	38.963158
"747088"	1062.359758	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+K"	38.963158
"1548047"	380.095358	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+K"	38.963158
"312881"	361.117417	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+H+K"	39.970434
"694367"	531.683517	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+H+K"	39.970434
"1451466"	190.551317	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+K"	39.970434
"238976"	724.298226	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+ACN+H"	42.033826
"1216060"	383.166026	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+ACN+H"	42.033826
"1198852"	192.086651	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+ACN+2H"	43.041102
"192086"	727.23556	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2Na-H"	44.97116
"634563"	1068.36776	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2Na-H"	44.97116
"1139166"	386.10336	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2Na-H"	44.97116
"185374"	364.121418	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2Na"	45.978436
"619834"	534.687518	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2Na"	45.978436
"1125528"	193.555318	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2Na"	45.978436
"1409050"	129.372637333333	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+2Na"	46.985712
"1442258"	388.144946	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+HCOOH"	47.012746
"231591"	369.15444	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+3H2O+2H"	56.04448
"1521838"	402.19699	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+IsoProp+H"	61.06479
"421889"	372.108388	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+Na+K"	61.952376
"783978"	542.674488	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+Na+K"	61.952376
"1678122"	201.542288	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na+K"	61.952376
"263548"	746.280168	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+ACN+Na"	64.015768
"1240999"	405.147968	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+ACN+Na"	64.015768
"1719680"	405.171493	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+NH4+HCOOH"	64.039293
"1187222"	136.699951333333	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+3Na"	68.967654
"1657114"	410.126888	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na+HCOOH"	68.994688
"162882"	759.18344	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2K-H"	76.91904
"605723"	1100.31564	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2K-H"	76.91904
"1089141"	418.05124	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2K-H"	76.91904
"145958"	380.095358	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"2M+2K"	77.926316
"586611"	550.661458	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"3M+2K"	77.926316
"1072213"	209.529258	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2K"	77.926316
"1103238"	420.065792	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2K+H"	78.933592
"1338163"	420.153407	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+DMSO+H"	79.021207
"1007787"	424.192576	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2ACN+H"	83.060376
"1526275"	425.186208	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+IsoProp+Na+H"	84.054008
"992724"	212.599926	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+2ACN+2H"	84.067652
"1592698"	426.100828	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+K+HCOOH"	84.968628
"1416169"	456.132338	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+H+CF3COOH"	115.000138
"1148641"	233.113201	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+3ACN+2H"	125.094202
"1706953"	473.158885	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+NH4+CF3COOH"	132.026685
"1648073"	478.11428	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+Na+CF3COOH"	136.98208
"1579350"	494.08822	"C19702"	"1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C12H23NO10"	"341.1322"	"M+K+CF3COOH"	152.95602
"801445"	444.1414	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M"	0
"977784"	425.12301	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-H2O-H"	-19.01839
"71499"	295.086990666667	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M-3H"	-3.021828
"507777"	443.134124	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M-3H"	-3.021828
"889953"	147.039857333333	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-3H"	-3.021828
"10714"	443.134124	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M-2H"	-2.014552
"445900"	665.204824	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M-2H"	-2.014552
"825888"	221.063424	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-2H"	-2.014552
"82601"	887.275524	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M-H"	-1.007276
"523256"	1331.416924	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M-H"	-1.007276
"897780"	443.134124	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-H"	-1.007276
"47779"	904.302071	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M-2H+NH4"	16.019271
"494996"	1348.443471	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M-2H+NH4"	16.019271
"871704"	460.160671	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-2H+NH4"	16.019271
"41794"	909.257466	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M-2H+Na"	20.974666
"476980"	1353.398866	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M-2H+Na"	20.974666
"858060"	465.116066	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-2H+Na"	20.974666
"1630509"	465.116066	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Na-2H"	20.974666
"106308"	461.122463	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M-H+Cl"	33.962126
"545868"	683.193163	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M-H+Cl"	33.962126
"940475"	239.051763	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-H+Cl"	33.962126
"280492"	923.252202	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+Cl"	34.969402
"665988"	1367.393602	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+Cl"	34.969402
"1273657"	479.110802	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Cl"	34.969402
"17674"	925.231406	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M-2H+K"	36.948606
"465985"	1369.372806	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M-2H+K"	36.948606
"844879"	481.090006	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-2H+K"	36.948606
"1571208"	481.090006	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+K-2H"	36.948606
"958463"	489.139594	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-H+HCOOH"	44.998194
"376351"	933.281001	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+HCOOH-H"	44.998201
"360791"	947.296651	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+Hac-H"	59.013851
"1506828"	503.155251	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Hac-H"	59.013851
"973646"	511.121551	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-H+NaCOOH"	66.980151
"124734"	479.110802	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+2Cl"	69.938804
"565316"	701.181502	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+2Cl"	69.938804
"1034184"	257.040102	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2Cl"	69.938804
"1251577"	523.060285	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Br"	78.918885
"1316210"	525.116272	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Cl+HCOOH"	80.974872
"1331884"	547.098229	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Cl+NaCOOH"	102.956829
"920389"	557.126986	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M-H+CF3COOH"	112.985586
"1301837"	593.103664	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Cl+CF3COOH"	148.962264
"1380972"	409.128724	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H-2H2O"	-35.012676
"1393851"	427.1387	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H-H2O"	-17.0027
"291352"	889.290076	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+H"	1.007276
"684868"	1333.431476	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+H"	1.007276
"1362677"	445.148676	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H"	1.007276
"138483"	445.148676	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+2H"	2.014552
"575853"	667.219376	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+2H"	2.014552
"1047572"	223.077976	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2H"	2.014552
"210367"	297.101542666667	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+3H"	3.021828
"655397"	445.148676	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+3H"	3.021828
"1173522"	149.054409333333	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+3H"	3.021828
"433515"	906.316623	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+NH4"	18.033823
"799860"	1350.458023	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+NH4"	18.033823
"1693763"	462.175223	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+NH4"	18.033823
"342772"	453.6619495	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+H+NH4"	19.041099
"732642"	675.7326495	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+H+NH4"	19.041099
"1489380"	231.5912495	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H+NH4"	19.041099
"405872"	911.272018	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+Na"	22.989218
"762859"	1355.413418	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+Na"	22.989218
"1617032"	467.130618	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Na"	22.989218
"328163"	456.139647	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+H+Na"	23.996494
"720828"	678.210347	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+H+Na"	23.996494
"1472702"	234.068947	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H+Na"	23.996494
"1062665"	156.381723333333	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2H+Na"	25.00377
"1265438"	477.174886	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+CH3OH+H"	33.033486
"390576"	927.245958	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+K"	38.963158
"746105"	1371.387358	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+K"	38.963158
"1550346"	483.104558	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+K"	38.963158
"305336"	464.126617	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+H+K"	39.970434
"695570"	686.197317	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+H+K"	39.970434
"1454858"	242.055917	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H+K"	39.970434
"236899"	930.316626	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+ACN+H"	42.033826
"1216170"	486.175226	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+ACN+H"	42.033826
"1197869"	243.591251	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+ACN+2H"	43.041102
"192926"	933.25396	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+2Na-H"	44.97116
"637957"	1377.39536	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+2Na-H"	44.97116
"1141468"	489.11256	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2Na-H"	44.97116
"185852"	467.130618	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+2Na"	45.978436
"619944"	689.201318	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+2Na"	45.978436
"1128918"	245.059918	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2Na"	45.978436
"1406974"	163.709037333333	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H+2Na"	46.985712
"1439089"	491.154146	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H+HCOOH"	47.012746
"228785"	472.16364	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+3H2O+2H"	56.04448
"1523043"	505.20619	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+IsoProp+H"	61.06479
"424172"	475.117588	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+Na+K"	61.952376
"785387"	697.188288	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+Na+K"	61.952376
"1681260"	253.046888	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Na+K"	61.952376
"263658"	952.298568	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+ACN+Na"	64.015768
"1241273"	508.157168	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+ACN+Na"	64.015768
"1719790"	508.180693	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+NH4+HCOOH"	64.039293
"1185145"	171.036351333333	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+3Na"	68.967654
"1655037"	513.136088	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Na+HCOOH"	68.994688
"162990"	965.20184	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+2K-H"	76.91904
"602552"	1409.34324	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+2K-H"	76.91904
"1090344"	521.06044	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2K-H"	76.91904
"148254"	483.104558	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"2M+2K"	77.926316
"588907"	705.175258	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"3M+2K"	77.926316
"1071598"	261.033858	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2K"	77.926316
"1103347"	523.074992	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2K+H"	78.933592
"1339004"	523.162607	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+DMSO+H"	79.021207
"1007654"	527.201776	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2ACN+H"	83.060376
"1526023"	528.195408	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+IsoProp+Na+H"	84.054008
"991377"	264.104526	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+2ACN+2H"	84.067652
"1589891"	529.110028	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+K+HCOOH"	84.968628
"1416281"	559.141538	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+H+CF3COOH"	115.000138
"1148024"	284.617801	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+3ACN+2H"	125.094202
"1699405"	576.168085	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+NH4+CF3COOH"	132.026685
"1641620"	581.12348	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+Na+CF3COOH"	136.98208
"1579460"	597.09742	"C19703"	"1-O-2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl-1D-myo-inositol;Desacetylmycothiol"	"C15H28N2O11S"	"444.1414"	"M+K+CF3COOH"	152.95602
"803267"	588.2948	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M"	0
"978987"	569.27641	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-H2O-H"	-19.01839
"68329"	391.189257333333	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M-3H"	-3.021828
"510074"	587.287524	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M-3H"	-3.021828
"886783"	195.090990666667	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-3H"	-3.021828
"7544"	587.287524	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M-2H"	-2.014552
"446010"	881.434924	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M-2H"	-2.014552
"829278"	293.140124	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-2H"	-2.014552
"81617"	1175.582324	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M-H"	-1.007276
"521177"	1763.877124	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M-H"	-1.007276
"904446"	587.287524	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-H"	-1.007276
"50077"	1192.608871	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M-2H+NH4"	16.019271
"495106"	1780.903671	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M-2H+NH4"	16.019271
"868534"	604.314071	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-2H+NH4"	16.019271
"40811"	1197.564266	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M-2H+Na"	20.974666
"480370"	1785.859066	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M-2H+Na"	20.974666
"857077"	609.269466	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-2H+Na"	20.974666
"1630983"	609.269466	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Na-2H"	20.974666
"108484"	605.275863	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M-H+Cl"	33.962126
"545978"	899.423263	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M-H+Cl"	33.962126
"939492"	311.128463	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-H+Cl"	33.962126
"280845"	1211.559002	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+Cl"	34.969402
"665006"	1799.853802	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+Cl"	34.969402
"1275226"	623.264202	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Cl"	34.969402
"18877"	1213.538206	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M-2H+K"	36.948606
"467188"	1801.833006	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M-2H+K"	36.948606
"843532"	625.243406	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-2H+K"	36.948606
"1571197"	625.243406	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+K-2H"	36.948606
"958079"	633.292994	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-H+HCOOH"	44.998194
"376902"	1221.587801	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+HCOOH-H"	44.998201
"360902"	1235.603451	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+Hac-H"	59.013851
"1507425"	647.308651	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Hac-H"	59.013851
"972535"	655.274951	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-H+NaCOOH"	66.980151
"123383"	623.264202	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+2Cl"	69.938804
"564405"	917.411602	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+2Cl"	69.938804
"1034294"	329.116802	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2Cl"	69.938804
"1252779"	667.213685	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Br"	78.918885
"1313040"	669.269672	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Cl+HCOOH"	80.974872
"1329442"	691.251629	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Cl+NaCOOH"	102.956829
"919407"	701.280386	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M-H+CF3COOH"	112.985586
"1296845"	737.257064	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Cl+CF3COOH"	148.962264
"1378285"	553.282124	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H-2H2O"	-35.012676
"1392867"	571.2921	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H-H2O"	-17.0027
"294378"	1177.596876	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+H"	1.007276
"681697"	1765.891676	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+H"	1.007276
"1361326"	589.302076	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H"	1.007276
"137133"	589.302076	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+2H"	2.014552
"572683"	883.449476	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+2H"	2.014552
"1045858"	295.154676	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2H"	2.014552
"207197"	393.203809333333	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+3H"	3.021828
"650040"	589.302076	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+3H"	3.021828
"1167072"	197.105542666667	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+3H"	3.021828
"432531"	1194.623423	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+NH4"	18.033823
"795716"	1782.918223	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+NH4"	18.033823
"1694603"	606.328623	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+NH4"	18.033823
"342518"	597.8153495	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+H+NH4"	19.041099
"733846"	891.9627495	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+H+NH4"	19.041099
"1485479"	303.6679495	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H+NH4"	19.041099
"405982"	1199.578818	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+Na"	22.989218
"766978"	1787.873618	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+Na"	22.989218
"1617143"	611.284018	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Na"	22.989218
"329490"	600.293047	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+H+Na"	23.996494
"722155"	894.440447	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+H+Na"	23.996494
"1474635"	306.145647	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H+Na"	23.996494
"1062775"	204.432856666667	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2H+Na"	25.00377
"1269923"	621.328286	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+CH3OH+H"	33.033486
"388499"	1215.552758	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+K"	38.963158
"744028"	1803.847558	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+K"	38.963158
"1544987"	627.257958	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+K"	38.963158
"307633"	608.280017	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+H+K"	39.970434
"696775"	902.427417	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+H+K"	39.970434
"1451688"	314.132617	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H+K"	39.970434
"238465"	1218.623426	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+ACN+H"	42.033826
"1216280"	630.328626	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+ACN+H"	42.033826
"1202354"	315.667951	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+ACN+2H"	43.041102
"191943"	1221.56076	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+2Na-H"	44.97116
"638067"	1809.85556	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+2Na-H"	44.97116
"1138661"	633.26596	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2Na-H"	44.97116
"183774"	611.284018	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+2Na"	45.978436
"622241"	905.431418	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+2Na"	45.978436
"1127935"	317.136618	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2Na"	45.978436
"1407084"	211.760170666667	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H+2Na"	46.985712
"1442116"	635.307546	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H+HCOOH"	47.012746
"223793"	616.31704	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+3H2O+2H"	56.04448
"1522791"	649.35959	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+IsoProp+H"	61.06479
"422841"	619.270988	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+Na+K"	61.952376
"784811"	913.418388	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+Na+K"	61.952376
"1680533"	325.123588	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Na+K"	61.952376
"266323"	1240.605368	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+ACN+Na"	64.015768
"1241224"	652.310568	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+ACN+Na"	64.015768
"1723180"	652.334093	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+NH4+HCOOH"	64.039293
"1184162"	219.087484666667	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+3Na"	68.967654
"1653689"	657.289488	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Na+HCOOH"	68.994688
"161642"	1253.50864	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+2K-H"	76.91904
"601569"	1841.80344	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+2K-H"	76.91904
"1089361"	665.21384	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2K-H"	76.91904
"152738"	627.257958	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"2M+2K"	77.926316
"589018"	921.405358	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"3M+2K"	77.926316
"1072802"	333.110558	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2K"	77.926316
"1101633"	667.228392	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2K+H"	78.933592
"1338385"	667.316007	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+DMSO+H"	79.021207
"1010560"	671.355176	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2ACN+H"	83.060376
"1525038"	672.348808	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+IsoProp+Na+H"	84.054008
"991124"	336.181226	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+2ACN+2H"	84.067652
"1588544"	673.263428	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+K+HCOOH"	84.968628
"1416391"	703.294938	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+H+CF3COOH"	115.000138
"1148501"	356.694501	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+3ACN+2H"	125.094202
"1698422"	720.321485	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+NH4+CF3COOH"	132.026685
"1637354"	725.27688	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+Na+CF3COOH"	136.98208
"1573009"	741.25082	"C19704"	"Dinoflagellate luciferin"	"C33H40N4O6"	"588.2948"	"M+K+CF3COOH"	152.95602
"802039"	602.2741	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M"	0
"979097"	583.25571	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-H2O-H"	-19.01839
"70626"	400.508790666667	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M-3H"	-3.021828
"513464"	601.266824	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M-3H"	-3.021828
"889081"	199.750757333333	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-3H"	-3.021828
"2187"	601.266824	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M-2H"	-2.014552
"445027"	902.403874	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M-2H"	-2.014552
"825015"	300.129774	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-2H"	-2.014552
"85007"	1203.540924	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M-H"	-1.007276
"524567"	1805.815024	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M-H"	-1.007276
"906743"	601.266824	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-H"	-1.007276
"54559"	1220.567471	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M-2H+NH4"	16.019271
"490843"	1822.841571	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M-2H+NH4"	16.019271
"871924"	618.293371	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-2H+NH4"	16.019271
"42014"	1225.522866	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M-2H+Na"	20.974666
"480480"	1827.796966	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M-2H+Na"	20.974666
"857187"	623.248766	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-2H+Na"	20.974666
"1630000"	623.248766	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Na-2H"	20.974666
"106529"	619.255163	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M-H+Cl"	33.962126
"546088"	920.392213	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M-H+Cl"	33.962126
"934133"	318.118113	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-H+Cl"	33.962126
"281318"	1239.517602	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+Cl"	34.969402
"664022"	1841.791702	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+Cl"	34.969402
"1274243"	637.243502	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Cl"	34.969402
"18987"	1241.496806	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M-2H+K"	36.948606
"460737"	1843.770906	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M-2H+K"	36.948606
"844006"	639.222706	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-2H+K"	36.948606
"1570793"	639.222706	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+K-2H"	36.948606
"957582"	647.272294	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-H+HCOOH"	44.998194
"376403"	1249.546401	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+HCOOH-H"	44.998201
"361257"	1263.562051	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+Hac-H"	59.013851
"1508142"	661.287951	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Hac-H"	59.013851
"973496"	669.254251	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-H+NaCOOH"	66.980151
"122401"	637.243502	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+2Cl"	69.938804
"562326"	938.380552	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+2Cl"	69.938804
"1034772"	336.106452	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2Cl"	69.938804
"1254716"	681.192985	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Br"	78.918885
"1316796"	683.248972	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Cl+HCOOH"	80.974872
"1330283"	705.230929	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Cl+NaCOOH"	102.956829
"919517"	715.259686	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M-H+CF3COOH"	112.985586
"1300965"	751.236364	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Cl+CF3COOH"	148.962264
"1379853"	567.261424	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H-2H2O"	-35.012676
"1394801"	585.2714	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H-H2O"	-17.0027
"293760"	1205.555476	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+H"	1.007276
"686912"	1807.829576	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+H"	1.007276
"1365326"	603.281376	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H"	1.007276
"138701"	603.281376	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+2H"	2.014552
"576802"	904.418426	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+2H"	2.014552
"1047061"	302.144326	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2H"	2.014552
"207307"	402.523342666667	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+3H"	3.021828
"649056"	603.281376	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+3H"	3.021828
"1170462"	201.765309333333	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+3H"	3.021828
"426081"	1222.582023	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+NH4"	18.033823
"793639"	1824.856123	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+NH4"	18.033823
"1693253"	620.307923	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+NH4"	18.033823
"343721"	611.7946495	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+H+NH4"	19.041099
"735778"	912.9316995	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+H+NH4"	19.041099
"1485589"	310.6575995	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H+NH4"	19.041099
"406092"	1227.537418	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+Na"	22.989218
"767088"	1829.811518	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+Na"	22.989218
"1616768"	625.263318	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Na"	22.989218
"329484"	614.272347	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+H+Na"	23.996494
"721050"	915.409397	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+H+Na"	23.996494
"1474746"	313.135297	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H+Na"	23.996494
"1062885"	209.092623333333	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2H+Na"	25.00377
"1268940"	635.307586	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+CH3OH+H"	33.033486
"390796"	1243.511358	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+K"	38.963158
"744136"	1845.785458	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+K"	38.963158
"1545098"	641.237258	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+K"	38.963158
"304462"	622.259317	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+H+K"	39.970434
"699072"	923.396367	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+H+K"	39.970434
"1455808"	321.122267	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H+K"	39.970434
"241493"	1246.582026	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+ACN+H"	42.033826
"1215297"	644.307926	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+ACN+H"	42.033826
"1200276"	322.657601	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+ACN+2H"	43.041102
"192417"	1249.51936	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+2Na-H"	44.97116
"640362"	1851.79346	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+2Na-H"	44.97116
"1142054"	647.24526	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2Na-H"	44.97116
"185343"	625.263318	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+2Na"	45.978436
"624905"	926.400368	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+2Na"	45.978436
"1127317"	324.126268	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2Na"	45.978436
"1409381"	216.419937333333	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H+2Na"	46.985712
"1441135"	649.286846	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H+HCOOH"	47.012746
"231558"	630.29634	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+3H2O+2H"	56.04448
"1523268"	663.33889	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+IsoProp+H"	61.06479
"422952"	633.250288	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+Na+K"	61.952376
"785286"	934.387338	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+Na+K"	61.952376
"1681095"	332.113238	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Na+K"	61.952376
"265339"	1268.563968	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+ACN+Na"	64.015768
"1241090"	666.289868	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+ACN+Na"	64.015768
"1724750"	666.313393	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+NH4+HCOOH"	64.039293
"1188645"	223.747251333333	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+3Na"	68.967654
"1653435"	671.268788	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Na+HCOOH"	68.994688
"162481"	1281.46724	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+2K-H"	76.91904
"601314"	1883.74134	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+2K-H"	76.91904
"1088378"	679.19314	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2K-H"	76.91904
"151755"	641.237258	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"2M+2K"	77.926316
"592408"	942.374308	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"3M+2K"	77.926316
"1072912"	340.100208	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2K"	77.926316
"1103566"	681.207692	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2K+H"	78.933592
"1338861"	681.295307	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+DMSO+H"	79.021207
"1011764"	685.334476	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2ACN+H"	83.060376
"1525754"	686.328108	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+IsoProp+Na+H"	84.054008
"994148"	343.170876	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+2ACN+2H"	84.067652
"1589745"	687.242728	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+K+HCOOH"	84.968628
"1417593"	717.274238	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+H+CF3COOH"	115.000138
"1148246"	363.684151	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+3ACN+2H"	125.094202
"1698896"	734.300785	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+NH4+CF3COOH"	132.026685
"1636371"	739.25618	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+Na+CF3COOH"	136.98208
"1573119"	755.23012	"C19705"	"Oxidized dinoflagellate luciferin"	"C33H38N4O7"	"602.2741"	"M+K+CF3COOH"	152.95602
"803486"	131.0582	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M"	0
"979206"	112.03981	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H2O-H"	-19.01839
"70735"	86.3648573333333	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-3H"	-3.021828
"513575"	130.050924	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-3H"	-3.021828
"887005"	42.6787906666667	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-3H"	-3.021828
"2297"	130.050924	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H"	-2.014552
"445137"	195.580024	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H"	-2.014552
"826218"	64.521824	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H"	-2.014552
"86210"	261.109124	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-H"	-1.007276
"529050"	392.167324	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-H"	-1.007276
"907946"	130.050924	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H"	-1.007276
"53576"	278.135671	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+NH4"	16.019271
"490953"	409.193871	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+NH4"	16.019271
"868754"	147.077471	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+NH4"	16.019271
"43218"	283.091066	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+Na"	20.974666
"480590"	414.149266	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+Na"	20.974666
"863696"	152.032866	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+Na"	20.974666
"1633718"	152.032866	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na-2H"	20.974666
"109596"	148.039263	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-H+Cl"	33.962126
"545105"	213.568363	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-H+Cl"	33.962126
"934243"	82.510163	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+Cl"	33.962126
"281428"	297.085802	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Cl"	34.969402
"664133"	428.144002	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Cl"	34.969402
"1274353"	166.027602	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl"	34.969402
"19097"	299.065006	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M-2H+K"	36.948606
"460847"	430.123206	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M-2H+K"	36.948606
"841929"	168.006806	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-2H+K"	36.948606
"1570782"	168.006806	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K-2H"	36.948606
"958384"	176.056394	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+HCOOH"	44.998194
"376843"	307.114601	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+HCOOH-H"	44.998201
"360027"	321.130251	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Hac-H"	59.013851
"1506065"	190.072051	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Hac-H"	59.013851
"972757"	198.038351	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+NaCOOH"	66.980151
"123603"	166.027602	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Cl"	69.938804
"560245"	231.556702	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Cl"	69.938804
"1034882"	100.498502	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Cl"	69.938804
"1255554"	209.977085	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Br"	78.918885
"1316906"	212.033072	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+HCOOH"	80.974872
"1329663"	234.015029	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+NaCOOH"	102.956829
"920719"	244.043786	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M-H+CF3COOH"	112.985586
"1299983"	280.020464	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Cl+CF3COOH"	148.962264
"1378142"	96.045524	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H-2H2O"	-35.012676
"1394181"	114.0555	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H-H2O"	-17.0027
"293142"	263.123676	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H"	1.007276
"685199"	394.181876	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H"	1.007276
"1364827"	132.065476	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H"	1.007276
"139905"	132.065476	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2H"	2.014552
"575820"	197.594576	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2H"	2.014552
"1047902"	66.536376	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2H"	2.014552
"207417"	88.3794093333333	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+3H"	3.021828
"645885"	132.065476	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+3H"	3.021828
"1167292"	44.6933426666667	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+3H"	3.021828
"426191"	280.150223	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+NH4"	18.033823
"795936"	411.208423	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+NH4"	18.033823
"1694092"	149.092023	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4"	18.033823
"345289"	140.5787495	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+NH4"	19.041099
"736981"	206.1078495	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+NH4"	19.041099
"1485699"	75.0496495	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+NH4"	19.041099
"406931"	285.105618	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Na"	22.989218
"766468"	416.163818	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Na"	22.989218
"1616753"	154.047418	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na"	22.989218
"329343"	143.056447	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+Na"	23.996494
"721035"	208.585547	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+Na"	23.996494
"1471938"	77.527347	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+Na"	23.996494
"1059715"	52.0206566666667	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2H+Na"	25.00377
"1269049"	164.091686	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+CH3OH+H"	33.033486
"386532"	301.079558	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+K"	38.963158
"743152"	432.137758	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+K"	38.963158
"1543021"	170.021358	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K"	38.963158
"307852"	151.043417	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+H+K"	39.970434
"701369"	216.572517	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+H+K"	39.970434
"1454095"	85.514317	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+K"	39.970434
"239416"	304.150226	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+ACN+H"	42.033826
"1215407"	173.092026	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+H"	42.033826
"1196132"	87.049651	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+2H"	43.041102
"191068"	307.08756	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Na-H"	44.97116
"640472"	438.14576	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Na-H"	44.97116
"1142887"	176.02936	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Na-H"	44.97116
"181803"	154.047418	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2Na"	45.978436
"625012"	219.576518	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2Na"	45.978436
"1129614"	88.518318	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2Na"	45.978436
"1410950"	59.3479706666667	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+2Na"	46.985712
"1443065"	178.070946	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+HCOOH"	47.012746
"230573"	159.08044	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+3H2O+2H"	56.04448
"1521916"	192.12299	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+IsoProp+H"	61.06479
"422696"	162.034388	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+Na+K"	61.952376
"784056"	227.563488	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+Na+K"	61.952376
"1679659"	96.505288	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+K"	61.952376
"261804"	326.132168	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+ACN+Na"	64.015768
"1239982"	195.073968	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+ACN+Na"	64.015768
"1726926"	195.097493	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4+HCOOH"	64.039293
"1188027"	66.6752846666667	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+3Na"	68.967654
"1652816"	200.052888	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+HCOOH"	68.994688
"162225"	339.03544	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2K-H"	76.91904
"601060"	470.09364	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2K-H"	76.91904
"1088488"	207.97724	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K-H"	76.91904
"150772"	170.021358	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"2M+2K"	77.926316
"592518"	235.550458	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"3M+2K"	77.926316
"1074845"	104.492258	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K"	77.926316
"1104040"	209.991792	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2K+H"	78.933592
"1338971"	210.079407	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+DMSO+H"	79.021207
"1015154"	214.118576	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2ACN+H"	83.060376
"1525623"	215.112208	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+IsoProp+Na+H"	84.054008
"994258"	107.562926	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+2ACN+2H"	84.067652
"1588762"	216.026828	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K+HCOOH"	84.968628
"1418797"	246.058338	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+H+CF3COOH"	115.000138
"1150178"	128.076201	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+3ACN+2H"	125.094202
"1699735"	263.084885	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+NH4+CF3COOH"	132.026685
"1637574"	268.04028	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+Na+CF3COOH"	136.98208
"1573229"	284.01422	"C19706"	"cis-3-Hydroxy-L-proline;cis-3-Hydroxyproline"	"C5H9NO3"	"131.0582"	"M+K+CF3COOH"	152.95602
"810158"	246.0892	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M"	0
"984785"	227.07081	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H2O-H"	-19.01839
"67565"	163.052190666667	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-3H"	-3.021828
"509313"	245.081924	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-3H"	-3.021828
"888209"	81.0224573333333	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-3H"	-3.021828
"5688"	245.081924	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H"	-2.014552
"448527"	368.126524	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H"	-2.014552
"823049"	122.037324	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H"	-2.014552
"85228"	491.171124	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-H"	-1.007276
"530983"	737.260324	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-H"	-1.007276
"905870"	245.081924	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H"	-1.007276
"51499"	508.197671	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H+NH4"	16.019271
"491063"	754.286871	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H+NH4"	16.019271
"868864"	262.108471	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H+NH4"	16.019271
"40047"	513.153066	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H+Na"	20.974666
"474140"	759.242266	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H+Na"	20.974666
"858501"	267.063866	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H+Na"	20.974666
"1629127"	267.063866	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na-2H"	20.974666
"108936"	263.070263	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-H+Cl"	33.962126
"546309"	386.114863	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-H+Cl"	33.962126
"937635"	140.025663	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+Cl"	33.962126
"276192"	527.147802	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Cl"	34.969402
"662057"	773.237002	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+Cl"	34.969402
"1273155"	281.058602	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl"	34.969402
"19207"	529.127006	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M-2H+K"	36.948606
"460957"	775.216206	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M-2H+K"	36.948606
"842039"	283.037806	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-2H+K"	36.948606
"1570647"	283.037806	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K-2H"	36.948606
"958006"	291.087394	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+HCOOH"	44.998194
"376018"	537.176601	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+HCOOH-H"	44.998201
"359894"	551.192251	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Hac-H"	59.013851
"1506539"	305.103051	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Hac-H"	59.013851
"972623"	313.069351	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+NaCOOH"	66.980151
"122620"	281.058602	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2Cl"	69.938804
"561448"	404.103202	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2Cl"	69.938804
"1034992"	158.014002	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2Cl"	69.938804
"1254204"	325.008085	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Br"	78.918885
"1313370"	327.064072	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl+HCOOH"	80.974872
"1331959"	349.046029	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl+NaCOOH"	102.956829
"920829"	359.074786	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M-H+CF3COOH"	112.985586
"1298633"	395.051464	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Cl+CF3COOH"	148.962264
"1375701"	211.076524	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H-2H2O"	-35.012676
"1393927"	229.0865	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H-H2O"	-17.0027
"293252"	493.185676	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H"	1.007276
"684580"	739.274876	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H"	1.007276
"1364938"	247.096476	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H"	1.007276
"138555"	247.096476	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2H"	2.014552
"578119"	370.141076	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2H"	2.014552
"1046917"	124.051876	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2H"	2.014552
"207528"	165.066742666667	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+3H"	3.021828
"645266"	247.096476	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+3H"	3.021828
"1167402"	83.0370093333333	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+3H"	3.021828
"426301"	510.212223	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+NH4"	18.033823
"794950"	756.301423	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+NH4"	18.033823
"1694566"	264.123023	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+NH4"	18.033823
"345276"	255.6097495	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H+NH4"	19.041099
"737455"	378.6543495	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H+NH4"	19.041099
"1485808"	132.5651495	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+NH4"	19.041099
"405582"	515.167618	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Na"	22.989218
"762204"	761.256818	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+Na"	22.989218
"1616863"	269.078418	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na"	22.989218
"326901"	258.087447	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H+Na"	23.996494
"717135"	381.132047	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H+Na"	23.996494
"1470955"	135.042847	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+Na"	23.996494
"1059825"	90.3643233333333	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2H+Na"	25.00377
"1268066"	279.122686	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+CH3OH+H"	33.033486
"385548"	531.141558	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+K"	38.963158
"746543"	777.230758	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+K"	38.963158
"1543131"	285.052358	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K"	38.963158
"301763"	266.074417	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+H+K"	39.970434
"698198"	389.119017	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+H+K"	39.970434
"1448735"	143.029817	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+K"	39.970434
"239526"	534.212226	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+ACN+H"	42.033826
"1215517"	288.123026	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+ACN+H"	42.033826
"1196485"	144.565151	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+ACN+2H"	43.041102
"190813"	537.14956	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2Na-H"	44.97116
"640582"	783.23876	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2Na-H"	44.97116
"1142997"	291.06036	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2Na-H"	44.97116
"181913"	269.078418	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2Na"	45.978436
"625122"	392.123018	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2Na"	45.978436
"1129722"	146.033818	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2Na"	45.978436
"1412152"	97.6916373333333	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+2Na"	46.985712
"1442444"	293.101946	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+HCOOH"	47.012746
"233234"	274.11144	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+3H2O+2H"	56.04448
"1520202"	307.15399	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+IsoProp+H"	61.06479
"422806"	277.065388	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+Na+K"	61.952376
"777967"	400.109988	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+Na+K"	61.952376
"1676487"	154.020788	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na+K"	61.952376
"262278"	556.194168	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+ACN+Na"	64.015768
"1237904"	310.104968	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+ACN+Na"	64.015768
"1726063"	310.128493	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+NH4+HCOOH"	64.039293
"1186679"	105.018951333333	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+3Na"	68.967654
"1654385"	315.083888	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na+HCOOH"	68.994688
"161241"	569.09744	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2K-H"	76.91904
"601897"	815.18664	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2K-H"	76.91904
"1088962"	323.00824	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2K-H"	76.91904
"150882"	285.052358	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"2M+2K"	77.926316
"589347"	408.096958	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"3M+2K"	77.926316
"1073861"	162.007758	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2K"	77.926316
"1102328"	325.022792	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2K+H"	78.933592
"1339081"	325.110407	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+DMSO+H"	79.021207
"1011984"	329.149576	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2ACN+H"	83.060376
"1529012"	330.143208	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+IsoProp+Na+H"	84.054008
"994368"	165.078426	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+2ACN+2H"	84.067652
"1588872"	331.057828	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K+HCOOH"	84.968628
"1418906"	361.089338	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+H+CF3COOH"	115.000138
"1150288"	185.591701	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+3ACN+2H"	125.094202
"1700573"	378.115885	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+NH4+CF3COOH"	132.026685
"1636591"	383.07128	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+Na+CF3COOH"	136.98208
"1573703"	399.04522	"C19707"	"()-Columbianetin;(S)-Columbianetin"	"C14H14O4"	"246.0892"	"M+K+CF3COOH"	152.95602
"801538"	204.1878	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M"	0
"979426"	185.16941	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"69862"	135.117924	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"511610"	203.180524	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"889412"	67.055324	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6890"	203.180524	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"445357"	305.274424	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"823159"	101.086624	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"83151"	407.368324	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"529270"	611.556124	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"905980"	203.180524	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51609"	424.394871	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"491173"	628.582671	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"868974"	220.207071	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"40157"	429.350266	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"474250"	633.538066	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858611"	225.162466	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1629237"	225.162466	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"107591"	221.168863	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"547512"	323.262763	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"935559"	119.074963	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278489"	443.345002	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664353"	647.532802	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1272819"	239.157202	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"18223"	445.324206	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"461067"	649.512006	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"842149"	241.136406	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570015"	241.136406	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"958025"	249.185994	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375392"	453.373801	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360002"	467.389451	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1505915"	263.201651	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"971274"	271.167951	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"122366"	239.157202	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562652"	341.251102	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036077"	137.063302	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254315"	283.106685	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317125"	285.162672	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332067"	307.144629	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920939"	317.173386	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1300930"	353.150064	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376905"	169.175124	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1393309"	187.1851	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291902"	409.382876	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"681045"	613.570676	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360311"	205.195076	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H"	1.007276
"135751"	205.195076	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"578229"	307.288976	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1044842"	103.101176	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"214199"	137.132476	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"654852"	205.195076	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1167512"	69.069876	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"429691"	426.409423	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"792874"	630.597223	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684834"	222.221623	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"331289"	213.7083495	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"727720"	315.8022495	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1485918"	111.6144495	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"402411"	431.364818	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"761221"	635.552618	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609318"	227.177018	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321180"	216.186047	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709227"	318.279947	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1465962"	114.092147	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1056290"	76.39719	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268178"	237.221286	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381286"	447.338758	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"741189"	651.526558	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1545428"	243.150958	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+K"	38.963158
"301511"	224.173017	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"698307"	326.266917	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448480"	122.079117	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"238543"	450.409426	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1215627"	246.221626	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195499"	123.614451	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"189823"	453.34676	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"630851"	657.53456	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1136546"	249.15896	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182023"	227.177018	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624500"	329.270918	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1127644"	125.083118	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1411778"	83.724504	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1439274"	251.200546	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"227146"	232.21004	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1521405"	265.25259	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"421091"	235.163988	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"781357"	337.257888	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1675502"	133.070088	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"258741"	472.391368	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1232546"	268.203568	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1715601"	268.227093	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1182413"	91.051818	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1651939"	273.182488	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"159165"	485.29464	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"599817"	689.48244	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1085790"	281.10684	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145522"	243.150958	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"587268"	345.244858	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1072874"	141.057058	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1106084"	283.121392	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337364"	283.209007	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1007720"	287.248176	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1526937"	288.241808	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"998852"	144.127726	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1587401"	289.156428	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1414397"	319.187938	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148211"	164.641001	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1699590"	336.214485	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1635971"	341.16988	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573449"	357.14382	"C19708"	"5-Epiaristolochene;()-5-Epiaristolochene;5-epi-Aristolochene;()-5-epi-Aristolochene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"814392"	220.1827	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M"	0
"980638"	201.16431	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"66693"	145.781190666667	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"504066"	219.175424	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"881865"	72.3869573333333	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"145"	219.175424	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"443282"	329.266774	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"819990"	109.084074	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"78757"	439.358124	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"519298"	659.540824	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"899531"	219.175424	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"50630"	456.384671	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"496751"	676.567371	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"872367"	236.201971	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"36990"	461.340066	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"476550"	681.522766	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"855443"	241.157366	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1626069"	241.157366	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"102596"	237.163763	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"545437"	347.255113	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"927243"	127.072413	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"268394"	475.334802	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"660449"	695.517502	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1272835"	255.152102	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"17240"	477.314006	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"465918"	697.496706	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"845908"	257.131306	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1571020"	257.131306	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"957279"	265.180894	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"372945"	485.363601	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"355734"	499.379251	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1507121"	279.196551	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"973454"	287.162851	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"124668"	255.152102	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"565321"	365.243452	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1036312"	145.060752	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1248958"	299.101585	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1317601"	301.157572	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1328900"	323.139529	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"921052"	333.168286	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1298855"	369.144964	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1377017"	185.170024	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1392326"	203.18	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"292743"	441.372676	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"684434"	661.555376	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1360419"	221.189976	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"136227"	221.189976	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"574694"	331.281326	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1047138"	111.098626	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"214309"	147.795742666667	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"649495"	221.189976	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1170903"	74.4015093333333	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"433085"	458.399223	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"788612"	678.581923	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1684944"	238.216523	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"343068"	229.7032495	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"733301"	339.7945995	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1488216"	119.6118995	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"406533"	463.354618	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"762426"	683.537318	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1611618"	243.171918	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"320562"	232.180947	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"717357"	342.272297	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1465710"	122.089597	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1058955"	81.7288233333333	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1260998"	253.216186	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"379573"	479.328558	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"740204"	699.511258	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1542260"	259.145858	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"300527"	240.167917	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"698419"	350.259267	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1456612"	130.076567	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"240842"	482.399226	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1209958"	262.216526	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1198529"	131.611901	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"189577"	485.33656	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"628889"	705.51926	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1132279"	265.15386	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"176665"	243.171918	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"621694"	353.263268	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1126295"	133.080568	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1412371"	89.0561373333333	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1441206"	267.195446	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"231266"	248.20494	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1521516"	281.24749	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"419379"	251.158888	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"781467"	361.250238	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1671237"	141.067538	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"261041"	504.381168	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1234843"	284.198468	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1719357"	284.221993	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1180700"	96.3834513333333	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1652417"	289.177388	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"160372"	517.28444	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"601023"	737.46714	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1088818"	297.10174	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"145634"	259.145858	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"590659"	369.237208	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1075173"	149.054508	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1106195"	299.116292	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1342578"	299.203907	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1012204"	303.243076	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1525954"	304.236708	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"991671"	152.125176	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1587998"	305.151328	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1414995"	335.182838	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1147111"	172.638451	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1700067"	352.209385	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1639000"	357.16478	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1580122"	373.13872	"C19711"	"Solavetivol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"810490"	181.0739	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M"	0
"986213"	162.05551	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"70083"	119.708657333333	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"504176"	180.066624	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"880638"	59.3506906666667	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"223"	180.066624	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"443392"	270.603574	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"819007"	89.529674	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"79604"	361.140524	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"519774"	542.214424	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"898549"	180.066624	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"50740"	378.167071	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"497954"	559.240971	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"872477"	197.093171	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"38193"	383.122466	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"474473"	564.196366	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"854460"	202.048566	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1629459"	202.048566	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"109226"	198.054963	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"537894"	288.591913	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"927353"	107.518013	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"268504"	397.117202	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"661654"	578.191102	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1273206"	216.043302	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"22818"	399.096406	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"466757"	580.170306	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"846017"	218.022506	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1568776"	218.022506	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"957026"	226.072094	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"375974"	407.146001	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"357669"	421.161651	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1506873"	240.087751	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"971862"	248.054051	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"123321"	216.043302	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"559597"	306.580252	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1026210"	125.506352	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1249068"	259.992785	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1316982"	262.048772	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1334115"	284.030729	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"924079"	294.059486	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1300059"	330.036164	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1378950"	146.061224	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1392436"	164.0712	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"295039"	363.155076	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"684543"	544.228976	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1359799"	182.081176	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"135240"	182.081176	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"574075"	272.618126	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1050529"	91.544226	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"216243"	121.723209333333	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"653614"	182.081176	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1171010"	61.3652426666667	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"426635"	380.181623	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"786898"	561.255523	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1685054"	199.107723	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"344270"	190.5944495	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"734504"	281.1313995	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1489419"	100.0574995	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"407372"	385.137018	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"763629"	566.210918	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1613912"	204.063118	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"325044"	193.072147	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"716373"	283.609097	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1472382"	102.535197	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1059065"	68.6925566666667	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1264024"	214.107386	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"384783"	401.110958	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"740679"	582.184858	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1543463"	220.037058	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"301731"	201.059117	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"699622"	291.596067	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1455629"	110.522167	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"236941"	404.181626	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1210738"	223.107726	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1195716"	112.057501	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"189440"	407.11896	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"628880"	588.19286	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1131902"	226.04506	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"176774"	204.063118	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"621804"	294.600068	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1126040"	113.526168	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1408835"	76.0198706666667	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1439858"	228.086646	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"231740"	209.09614	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1518709"	242.13869	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"414022"	212.050088	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"775017"	302.587038	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1671347"	121.513138	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"257870"	426.163568	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1231673"	245.089668	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1717280"	245.113193	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1179717"	83.3471846666667	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1653256"	250.068588	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"161575"	439.06684	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"598945"	620.14074	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1090021"	257.99294	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"145014"	220.037058	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"584573"	310.574008	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1072001"	129.500108	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1103387"	260.007492	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1339408"	260.095107	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1010124"	264.134276	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1527156"	265.127908	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"992873"	132.570776	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1588472"	266.042528	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1417051"	296.074038	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1147058"	153.084051	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1697990"	313.100585	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1639110"	318.05598	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1580232"	334.02992	"C19712"	"N-Hydroxy-L-phenylalanine;2-(Hydroxyamino)-3-phenylpropanoate"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"814617"	135.0684	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M"	0
"977578"	116.05001	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-H2O-H"	-19.01839
"66915"	89.038324	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M-3H"	-3.021828
"504653"	134.061124	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M-3H"	-3.021828
"885369"	44.015524	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-3H"	-3.021828
"907"	134.061124	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M-2H"	-2.014552
"445695"	201.595324	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M-2H"	-2.014552
"827870"	66.526924	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-2H"	-2.014552
"87864"	269.129524	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M-H"	-1.007276
"532164"	404.197924	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M-H"	-1.007276
"906322"	134.061124	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-H"	-1.007276
"54135"	286.156071	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M-2H+NH4"	16.019271
"494791"	421.224471	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M-2H+NH4"	16.019271
"872591"	151.087671	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-2H+NH4"	16.019271
"37210"	291.111466	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M-2H+Na"	20.974666
"478956"	426.179866	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M-2H+Na"	20.974666
"856758"	156.043066	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-2H+Na"	20.974666
"1627387"	156.043066	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Na-2H"	20.974666
"101727"	152.049463	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M-H+Cl"	33.962126
"539100"	219.583663	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M-H+Cl"	33.962126
"928602"	84.515263	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-H+Cl"	33.962126
"268985"	305.106202	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+Cl"	34.969402
"667971"	440.174602	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+Cl"	34.969402
"1281834"	170.037802	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Cl"	34.969402
"28037"	307.085406	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M-2H+K"	36.948606
"471013"	442.153806	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M-2H+K"	36.948606
"845765"	172.017006	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-2H+K"	36.948606
"1570601"	172.017006	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+K-2H"	36.948606
"956779"	180.066594	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-H+HCOOH"	44.998194
"374993"	315.135001	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+HCOOH-H"	44.998201
"358513"	329.150651	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+Hac-H"	59.013851
"1507349"	194.082251	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Hac-H"	59.013851
"971610"	202.048551	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-H+NaCOOH"	66.980151
"122704"	170.037802	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+2Cl"	69.938804
"561171"	237.572002	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+2Cl"	69.938804
"1035070"	102.503602	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2Cl"	69.938804
"1255379"	213.987285	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Br"	78.918885
"1315636"	216.043272	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Cl+HCOOH"	80.974872
"1330944"	238.025229	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Cl+NaCOOH"	102.956829
"919088"	248.053986	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M-H+CF3COOH"	112.985586
"1299077"	284.030664	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Cl+CF3COOH"	148.962264
"1378331"	100.055724	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H-2H2O"	-35.012676
"1398425"	118.0657	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H-H2O"	-17.0027
"292236"	271.144076	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+H"	1.007276
"689031"	406.212476	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+H"	1.007276
"1364653"	136.075676	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H"	1.007276
"136083"	136.075676	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+2H"	2.014552
"573457"	203.609876	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+2H"	2.014552
"1047724"	68.541476	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2H"	2.014552
"212345"	91.052876	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+3H"	3.021828
"652999"	136.075676	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+3H"	3.021828
"1172221"	46.030076	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+3H"	3.021828
"430024"	288.170623	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+NH4"	18.033823
"795395"	423.239023	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+NH4"	18.033823
"1695007"	153.102223	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+NH4"	18.033823
"344380"	144.5889495	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+H+NH4"	19.041099
"737167"	212.1231495	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+H+NH4"	19.041099
"1490627"	77.0547495	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H+NH4"	19.041099
"406024"	293.126018	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+Na"	22.989218
"764832"	428.194418	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+Na"	22.989218
"1610743"	158.057618	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Na"	22.989218
"318955"	147.066647	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+H+Na"	23.996494
"712108"	214.600847	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+H+Na"	23.996494
"1469209"	79.532447	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H+Na"	23.996494
"1060269"	53.35739	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2H+Na"	25.00377
"1266322"	168.101886	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+CH3OH+H"	33.033486
"384896"	309.099958	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+K"	38.963158
"750268"	444.168358	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+K"	38.963158
"1545760"	174.031558	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+K"	38.963158
"309497"	155.053617	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+H+K"	39.970434
"698639"	222.587817	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+H+K"	39.970434
"1453552"	87.519417	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H+K"	39.970434
"238874"	312.170626	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+ACN+H"	42.033826
"1210853"	177.102226	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+ACN+H"	42.033826
"1195833"	89.054751	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+ACN+2H"	43.041102
"198184"	315.10796	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+2Na-H"	44.97116
"636650"	450.17636	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+2Na-H"	44.97116
"1141249"	180.03956	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2Na-H"	44.97116
"182721"	158.057618	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+2Na"	45.978436
"624104"	225.591818	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+2Na"	45.978436
"1127609"	90.523418	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2Na"	45.978436
"1411136"	60.684704	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H+2Na"	46.985712
"1433044"	182.081146	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H+HCOOH"	47.012746
"224197"	163.09064	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+3H2O+2H"	56.04448
"1521373"	196.13319	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+IsoProp+H"	61.06479
"419599"	166.044588	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+Na+K"	61.952376
"780594"	233.578788	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+Na+K"	61.952376
"1670368"	98.510388	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Na+K"	61.952376
"257984"	334.152568	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+ACN+Na"	64.015768
"1232878"	199.084168	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+ACN+Na"	64.015768
"1722860"	199.107693	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+NH4+HCOOH"	64.039293
"1181653"	68.012018	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+3Na"	68.967654
"1652640"	204.063088	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Na+HCOOH"	68.994688
"157795"	347.05584	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+2K-H"	76.91904
"597594"	482.12424	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+2K-H"	76.91904
"1086848"	211.98744	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2K-H"	76.91904
"142208"	174.031558	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"2M+2K"	77.926316
"583590"	241.565758	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"3M+2K"	77.926316
"1070654"	106.497358	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2K"	77.926316
"1102041"	214.001992	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2K+H"	78.933592
"1338791"	214.089607	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+DMSO+H"	79.021207
"1007322"	218.128776	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2ACN+H"	83.060376
"1526541"	219.122408	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+IsoProp+Na+H"	84.054008
"992264"	109.568026	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+2ACN+2H"	84.067652
"1593696"	220.037028	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+K+HCOOH"	84.968628
"1425554"	250.068538	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+H+CF3COOH"	115.000138
"1160583"	130.081301	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+3ACN+2H"	125.094202
"1706851"	267.095085	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+NH4+CF3COOH"	132.026685
"1639222"	272.05048	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+Na+CF3COOH"	136.98208
"1580343"	288.02442	"C19714"	"(E)-Phenylacetaldoxime;(E)-Phenylacetaldehyde oxime"	"C8H9NO"	"135.0684"	"M+K+CF3COOH"	152.95602
"810710"	197.0688	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M"	0
"986433"	178.05041	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H2O-H"	-19.01839
"72490"	130.371924	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-3H"	-3.021828
"513146"	196.061524	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-3H"	-3.021828
"884384"	64.682324	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-3H"	-3.021828
"1259"	196.061524	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H"	-2.014552
"445805"	294.595924	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H"	-2.014552
"826887"	97.527124	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H"	-2.014552
"87610"	393.130324	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-H"	-1.007276
"530817"	590.199124	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-H"	-1.007276
"907890"	196.061524	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H"	-1.007276
"54245"	410.156871	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H+NH4"	16.019271
"493808"	607.225671	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H+NH4"	16.019271
"870514"	213.088071	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H+NH4"	16.019271
"37320"	415.112266	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H+Na"	20.974666
"477973"	612.181066	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H+Na"	20.974666
"855774"	218.043466	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H+Na"	20.974666
"1628590"	218.043466	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na-2H"	20.974666
"104023"	214.049863	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-H+Cl"	33.962126
"542490"	312.584263	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-H+Cl"	33.962126
"931629"	115.515463	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+Cl"	33.962126
"271281"	429.107002	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Cl"	34.969402
"665892"	626.175802	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+Cl"	34.969402
"1283401"	232.038202	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl"	34.969402
"28512"	431.086206	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M-2H+K"	36.948606
"470992"	628.155006	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M-2H+K"	36.948606
"847701"	234.017406	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-2H+K"	36.948606
"1569739"	234.017406	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K-2H"	36.948606
"953971"	242.066994	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+HCOOH"	44.998194
"373280"	439.135801	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+HCOOH-H"	44.998201
"358986"	453.151451	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Hac-H"	59.013851
"1504907"	256.082651	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Hac-H"	59.013851
"968805"	264.048951	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+NaCOOH"	66.980151
"118075"	232.038202	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2Cl"	69.938804
"559822"	330.572602	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2Cl"	69.938804
"1034448"	133.503802	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2Cl"	69.938804
"1251474"	275.987685	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Br"	78.918885
"1312827"	278.043672	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl+HCOOH"	80.974872
"1332147"	300.025629	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl+NaCOOH"	102.956829
"921381"	310.054386	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M-H+CF3COOH"	112.985586
"1298089"	346.031064	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Cl+CF3COOH"	148.962264
"1377346"	162.056124	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H-2H2O"	-35.012676
"1391564"	180.0661	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H-H2O"	-17.0027
"289063"	395.144876	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H"	1.007276
"681484"	592.213676	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H"	1.007276
"1358930"	198.076076	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H"	1.007276
"138746"	198.076076	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2H"	2.014552
"574659"	296.610476	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2H"	2.014552
"1047469"	99.541676	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2H"	2.014552
"211361"	132.386476	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+3H"	3.021828
"647641"	198.076076	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+3H"	3.021828
"1164674"	66.696876	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+3H"	3.021828
"430132"	412.171423	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+NH4"	18.033823
"788938"	609.240223	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+NH4"	18.033823
"1695117"	215.102623	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+NH4"	18.033823
"344490"	206.5893495	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H+NH4"	19.041099
"737642"	305.1237495	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H+NH4"	19.041099
"1489641"	108.0549495	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+NH4"	19.041099
"396292"	417.126818	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Na"	22.989218
"762755"	614.195618	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+Na"	22.989218
"1607572"	220.058018	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na"	22.989218
"323075"	209.067047	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H+Na"	23.996494
"713311"	307.601447	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H+Na"	23.996494
"1474788"	110.532647	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+Na"	23.996494
"1062567"	74.02419	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2H+Na"	25.00377
"1269712"	230.102286	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+CH3OH+H"	33.033486
"389381"	433.100758	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+K"	38.963158
"744909"	630.169558	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+K"	38.963158
"1545868"	236.031958	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K"	38.963158
"306327"	217.054017	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+H+K"	39.970434
"698749"	315.588417	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+H+K"	39.970434
"1456942"	118.519617	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+K"	39.970434
"241170"	436.171426	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+ACN+H"	42.033826
"1212177"	239.102626	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+ACN+H"	42.033826
"1196064"	120.054951	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+ACN+2H"	43.041102
"198294"	439.10876	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2Na-H"	44.97116
"636760"	636.17756	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2Na-H"	44.97116
"1141359"	242.03996	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2Na-H"	44.97116
"186479"	220.058018	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2Na"	45.978436
"624215"	318.592418	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2Na"	45.978436
"1126629"	121.523618	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2Na"	45.978436
"1410880"	81.351504	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+2Na"	46.985712
"1432790"	244.081546	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+HCOOH"	47.012746
"231962"	225.09104	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+3H2O+2H"	56.04448
"1520024"	258.13359	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+IsoProp+H"	61.06479
"417523"	228.044988	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+Na+K"	61.952376
"778518"	326.579388	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+Na+K"	61.952376
"1670478"	129.510588	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na+K"	61.952376
"258094"	458.153368	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+ACN+Na"	64.015768
"1232988"	261.084568	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+ACN+Na"	64.015768
"1722970"	261.108093	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+NH4+HCOOH"	64.039293
"1181763"	88.678818	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+3Na"	68.967654
"1652750"	266.063488	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na+HCOOH"	68.994688
"158512"	471.05664	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2K-H"	76.91904
"599168"	668.12544	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2K-H"	76.91904
"1088053"	273.98784	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2K-H"	76.91904
"145234"	236.031958	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"2M+2K"	77.926316
"588804"	334.566358	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"3M+2K"	77.926316
"1073315"	137.497558	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2K"	77.926316
"1105431"	276.002392	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2K+H"	78.933592
"1340723"	276.090007	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+DMSO+H"	79.021207
"1010346"	280.129176	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2ACN+H"	83.060376
"1528473"	281.122808	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+IsoProp+Na+H"	84.054008
"997111"	140.568226	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+2ACN+2H"	84.067652
"1590526"	282.037428	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K+HCOOH"	84.968628
"1420561"	312.068938	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+H+CF3COOH"	115.000138
"1161422"	161.081501	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+3ACN+2H"	125.094202
"1705868"	329.095485	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+NH4+CF3COOH"	132.026685
"1641518"	334.05088	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+Na+CF3COOH"	136.98208
"1580453"	350.02482	"C19715"	"NN-Dihydroxy-L-phenylalanine"	"C9H11NO4"	"197.0688"	"M+K+CF3COOH"	152.95602
"810820"	220.0848	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M"	0
"987636"	201.06641	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-H2O-H"	-19.01839
"71506"	145.715924	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M-3H"	-3.021828
"507788"	219.077524	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M-3H"	-3.021828
"884494"	72.354324	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-3H"	-3.021828
"8539"	219.077524	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M-2H"	-2.014552
"447008"	329.119924	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M-2H"	-2.014552
"824810"	109.035124	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-2H"	-2.014552
"91365"	439.162324	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M-H"	-1.007276
"530562"	659.247124	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M-H"	-1.007276
"906542"	219.077524	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-H"	-1.007276
"56542"	456.188871	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M-2H+NH4"	16.019271
"492824"	676.273671	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M-2H+NH4"	16.019271
"870625"	236.104071	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-2H+NH4"	16.019271
"39618"	461.144266	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M-2H+Na"	20.974666
"475897"	681.229066	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M-2H+Na"	20.974666
"852605"	241.059466	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-2H+Na"	20.974666
"1625419"	241.059466	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Na-2H"	20.974666
"103042"	237.065863	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M-H+Cl"	33.962126
"541506"	347.108263	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M-H+Cl"	33.962126
"928457"	127.023463	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-H+Cl"	33.962126
"269934"	475.139002	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+Cl"	34.969402
"663815"	695.223802	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+Cl"	34.969402
"1281686"	255.054202	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Cl"	34.969402
"31020"	477.118206	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M-2H+K"	36.948606
"469278"	697.203006	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M-2H+K"	36.948606
"848179"	257.033406	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-2H+K"	36.948606
"1569849"	257.033406	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+K-2H"	36.948606
"957850"	265.082994	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-H+HCOOH"	44.998194
"375577"	485.167801	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+HCOOH-H"	44.998201
"356188"	499.183451	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+Hac-H"	59.013851
"1502467"	279.098651	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Hac-H"	59.013851
"970372"	287.064951	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-H+NaCOOH"	66.980151
"120372"	255.054202	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+2Cl"	69.938804
"562483"	365.096602	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+2Cl"	69.938804
"1034559"	145.011802	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2Cl"	69.938804
"1247212"	299.003685	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Br"	78.918885
"1311845"	301.059672	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Cl+HCOOH"	80.974872
"1328249"	323.041629	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Cl+NaCOOH"	102.956829
"918214"	333.070386	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M-H+CF3COOH"	112.985586
"1296015"	369.047064	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Cl+CF3COOH"	148.962264
"1381105"	185.072124	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H-2H2O"	-35.012676
"1394955"	203.0821	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H-H2O"	-17.0027
"292456"	441.176876	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+H"	1.007276
"685971"	661.261676	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+H"	1.007276
"1362321"	221.092076	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H"	1.007276
"129743"	221.092076	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+2H"	2.014552
"567357"	331.134476	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+2H"	2.014552
"1038342"	111.049676	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2H"	2.014552
"206609"	147.730476	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+3H"	3.021828
"646779"	221.092076	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+3H"	3.021828
"1166971"	74.368876	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+3H"	3.021828
"425259"	458.203423	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+NH4"	18.033823
"792334"	678.288223	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+NH4"	18.033823
"1694134"	238.118623	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+NH4"	18.033823
"336948"	229.6053495	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+H+NH4"	19.041099
"734837"	339.6477495	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+H+NH4"	19.041099
"1480273"	119.5629495	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H+NH4"	19.041099
"399681"	463.158818	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+Na"	22.989218
"756667"	683.243618	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+Na"	22.989218
"1610960"	243.074018	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Na"	22.989218
"316622"	232.083047	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+H+Na"	23.996494
"710139"	342.125447	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+H+Na"	23.996494
"1473802"	122.040647	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H+Na"	23.996494
"1061580"	81.69619	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2H+Na"	25.00377
"1265446"	253.118286	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+CH3OH+H"	33.033486
"388397"	479.132758	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+K"	38.963158
"745018"	699.217558	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+K"	38.963158
"1545979"	259.047958	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+K"	38.963158
"306437"	240.070017	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+H+K"	39.970434
"703233"	350.112417	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+H+K"	39.970434
"1453774"	130.027617	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H+K"	39.970434
"239096"	482.203426	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+ACN+H"	42.033826
"1211073"	262.118626	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+ACN+H"	42.033826
"1206628"	131.562951	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+ACN+2H"	43.041102
"199499"	485.14076	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+2Na-H"	44.97116
"640153"	705.22556	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+2Na-H"	44.97116
"1145731"	265.05596	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2Na-H"	44.97116
"182577"	243.074018	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+2Na"	45.978436
"625419"	353.116418	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+2Na"	45.978436
"1128198"	133.031618	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2Na"	45.978436
"1411354"	89.023504	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H+2Na"	46.985712
"1444202"	267.097546	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H+HCOOH"	47.012746
"230979"	248.10704	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+3H2O+2H"	56.04448
"1520134"	281.14959	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+IsoProp+H"	61.06479
"420914"	251.060988	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+Na+K"	61.952376
"782638"	361.103388	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+Na+K"	61.952376
"1670588"	141.018588	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Na+K"	61.952376
"258204"	504.185368	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+ACN+Na"	64.015768
"1233098"	284.100568	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+ACN+Na"	64.015768
"1720893"	284.124093	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+NH4+HCOOH"	64.039293
"1184061"	96.350818	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+3Na"	68.967654
"1651157"	289.079488	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Na+HCOOH"	68.994688
"158988"	517.08864	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+2K-H"	76.91904
"598547"	737.17344	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+2K-H"	76.91904
"1086341"	297.00384	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2K-H"	76.91904
"143887"	259.047958	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"2M+2K"	77.926316
"586727"	369.090358	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"3M+2K"	77.926316
"1071601"	149.005558	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2K"	77.926316
"1102262"	299.018392	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2K+H"	78.933592
"1339740"	299.106007	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+DMSO+H"	79.021207
"1010456"	303.145176	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2ACN+H"	83.060376
"1527489"	304.138808	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+IsoProp+Na+H"	84.054008
"993942"	152.076226	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+2ACN+2H"	84.067652
"1593916"	305.053428	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+K+HCOOH"	84.968628
"1421766"	335.084938	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+H+CF3COOH"	115.000138
"1155335"	172.589501	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+3ACN+2H"	125.094202
"1707071"	352.111485	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+NH4+CF3COOH"	132.026685
"1639441"	357.06688	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+Na+CF3COOH"	136.98208
"1580563"	373.04082	"C19716"	"N-Hydroxy-L-tryptophan"	"C11H12N2O3"	"220.0848"	"M+K+CF3COOH"	152.95602
"807650"	236.0797	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M"	0
"989628"	217.06131	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-H2O-H"	-19.01839
"70521"	156.379190666667	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M-3H"	-3.021828
"508991"	235.072424	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M-3H"	-3.021828
"884604"	77.6859573333333	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-3H"	-3.021828
"9742"	235.072424	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M-2H"	-2.014552
"448212"	353.112274	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M-2H"	-2.014552
"826743"	117.032574	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-2H"	-2.014552
"92204"	471.152124	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M-H"	-1.007276
"531036"	707.231824	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M-H"	-1.007276
"909204"	235.072424	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-H"	-1.007276
"59570"	488.178671	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M-2H+NH4"	16.019271
"497673"	724.258371	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M-2H+NH4"	16.019271
"871828"	252.098971	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-2H+NH4"	16.019271
"38635"	493.134066	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M-2H+Na"	20.974666
"473820"	729.213766	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M-2H+Na"	20.974666
"852715"	257.054366	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-2H+Na"	20.974666
"1624437"	257.054366	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Na-2H"	20.974666
"102058"	253.060763	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M-H+Cl"	33.962126
"539428"	371.100613	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M-H+Cl"	33.962126
"928567"	135.020913	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-H+Cl"	33.962126
"272595"	507.128802	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+Cl"	34.969402
"664289"	743.208502	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+Cl"	34.969402
"1280703"	271.049102	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Cl"	34.969402
"28735"	509.108006	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M-2H+K"	36.948606
"468295"	745.187706	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M-2H+K"	36.948606
"847191"	273.028306	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-2H+K"	36.948606
"1571057"	273.028306	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+K-2H"	36.948606
"957469"	281.077894	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-H+HCOOH"	44.998194
"373501"	517.157601	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+HCOOH-H"	44.998201
"358479"	531.173251	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+Hac-H"	59.013851
"1504034"	295.093551	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Hac-H"	59.013851
"970846"	303.059851	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-H+NaCOOH"	66.980151
"121939"	271.049102	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+2Cl"	69.938804
"561496"	389.088952	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+2Cl"	69.938804
"1032117"	153.009252	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2Cl"	69.938804
"1246229"	314.998585	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Br"	78.918885
"1307583"	317.054572	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Cl+HCOOH"	80.974872
"1327266"	339.036529	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Cl+NaCOOH"	102.956829
"918321"	349.065286	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M-H+CF3COOH"	112.985586
"1295032"	385.041964	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Cl+CF3COOH"	148.962264
"1375382"	201.067024	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H-2H2O"	-35.012676
"1388503"	219.077	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H-H2O"	-17.0027
"294752"	473.166676	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+H"	1.007276
"684988"	709.246376	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+H"	1.007276
"1359151"	237.086976	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H"	1.007276
"129852"	237.086976	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+2H"	2.014552
"567224"	355.126826	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+2H"	2.014552
"1040032"	119.047126	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2H"	2.014552
"205500"	158.393742666667	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+3H"	3.021828
"644740"	237.086976	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+3H"	3.021828
"1167081"	79.7005093333333	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+3H"	3.021828
"425248"	490.193223	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+NH4"	18.033823
"792444"	726.272923	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+NH4"	18.033823
"1695337"	254.113523	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+NH4"	18.033823
"338151"	245.6002495	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+H+NH4"	19.041099
"730574"	363.6400995	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+H+NH4"	19.041099
"1480383"	127.5603995	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H+NH4"	19.041099
"396511"	495.148618	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+Na"	22.989218
"757505"	731.228318	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+Na"	22.989218
"1611070"	259.068918	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Na"	22.989218
"317825"	248.077947	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+H+Na"	23.996494
"711706"	366.117797	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+H+Na"	23.996494
"1471726"	130.038097	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H+Na"	23.996494
"1060597"	87.0278233333333	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2H+Na"	25.00377
"1265556"	269.113186	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+CH3OH+H"	33.033486
"388507"	511.122558	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+K"	38.963158
"742941"	747.202258	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+K"	38.963158
"1547181"	275.042858	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+K"	38.963158
"305453"	256.064917	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+H+K"	39.970434
"696781"	374.104767	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+H+K"	39.970434
"1452789"	138.025067	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H+K"	39.970434
"238108"	514.193226	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+ACN+H"	42.033826
"1210124"	278.113526	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+ACN+H"	42.033826
"1195434"	139.560401	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+ACN+2H"	43.041102
"190128"	517.13056	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+2Na-H"	44.97116
"636983"	753.21026	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+2Na-H"	44.97116
"1143770"	281.05086	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2Na-H"	44.97116
"186941"	259.068918	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+2Na"	45.978436
"625165"	377.108768	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+2Na"	45.978436
"1128672"	141.029068	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2Na"	45.978436
"1408184"	94.3551373333333	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H+2Na"	46.985712
"1443945"	283.092446	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H+HCOOH"	47.012746
"231088"	264.10194	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+3H2O+2H"	56.04448
"1519151"	297.14449	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+IsoProp+H"	61.06479
"422483"	267.055888	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+Na+K"	61.952376
"783477"	385.095738	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+Na+K"	61.952376
"1677986"	149.016038	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Na+K"	61.952376
"258311"	536.175168	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+ACN+Na"	64.015768
"1228833"	300.095468	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+ACN+Na"	64.015768
"1721003"	300.118993	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+NH4+HCOOH"	64.039293
"1187451"	101.682451333333	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+3Na"	68.967654
"1652969"	305.074388	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Na+HCOOH"	68.994688
"157397"	549.07844	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+2K-H"	76.91904
"597925"	785.15814	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+2K-H"	76.91904
"1084870"	312.99874	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2K-H"	76.91904
"142050"	275.042858	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"2M+2K"	77.926316
"585744"	393.082708	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"3M+2K"	77.926316
"1069524"	157.003008	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2K"	77.926316
"1101640"	315.013292	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2K+H"	78.933592
"1338757"	315.100907	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+DMSO+H"	79.021207
"1008380"	319.140076	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2ACN+H"	83.060376
"1526507"	320.133708	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+IsoProp+Na+H"	84.054008
"995145"	160.073676	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+2ACN+2H"	84.067652
"1594026"	321.048328	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+K+HCOOH"	84.968628
"1421876"	351.079838	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+H+CF3COOH"	115.000138
"1155445"	180.586951	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+3ACN+2H"	125.094202
"1707181"	368.106385	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+NH4+CF3COOH"	132.026685
"1640644"	373.06178	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+Na+CF3COOH"	136.98208
"1580673"	389.03572	"C19717"	"NN-Dihydroxy-L-tryptophan"	"C11H12N2O4"	"236.0797"	"M+K+CF3COOH"	152.95602
"811040"	176.0797	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M"	0
"989317"	157.06131	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-H2O-H"	-19.01839
"73911"	116.379190666667	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M-3H"	-3.021828
"509100"	175.072424	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M-3H"	-3.021828
"880704"	57.6859573333333	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-3H"	-3.021828
"7665"	175.072424	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M-2H"	-2.014552
"441760"	263.112274	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M-2H"	-2.014552
"819562"	87.032574	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-2H"	-2.014552
"86116"	351.152124	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M-H"	-1.007276
"526769"	527.231824	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M-H"	-1.007276
"904573"	175.072424	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-H"	-1.007276
"55668"	368.178671	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M-2H+NH4"	16.019271
"493042"	544.258371	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M-2H+NH4"	16.019271
"870844"	192.098971	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-2H+NH4"	16.019271
"36557"	373.134066	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M-2H+Na"	20.974666
"473930"	549.213766	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M-2H+Na"	20.974666
"852824"	197.054366	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-2H+Na"	20.974666
"1625640"	197.054366	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Na-2H"	20.974666
"104354"	193.060763	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M-H+Cl"	33.962126
"536259"	281.100613	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M-H+Cl"	33.962126
"928678"	105.020913	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-H+Cl"	33.962126
"271609"	387.128802	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+Cl"	34.969402
"668407"	563.208502	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+Cl"	34.969402
"1281177"	211.049102	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Cl"	34.969402
"27384"	389.108006	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M-2H+K"	36.948606
"468040"	565.187706	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M-2H+K"	36.948606
"847666"	213.028306	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-2H+K"	36.948606
"1570186"	213.028306	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+K-2H"	36.948606
"955029"	221.077894	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-H+HCOOH"	44.998194
"374704"	397.157601	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+HCOOH-H"	44.998201
"358588"	411.173251	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+Hac-H"	59.013851
"1503780"	235.093551	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Hac-H"	59.013851
"969498"	243.059851	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-H+NaCOOH"	66.980151
"120593"	211.049102	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+2Cl"	69.938804
"561606"	299.088952	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+2Cl"	69.938804
"1032227"	123.009252	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2Cl"	69.938804
"1246339"	254.998585	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Br"	78.918885
"1309880"	257.054572	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Cl+HCOOH"	80.974872
"1326283"	279.036529	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Cl+NaCOOH"	102.956829
"917339"	289.065286	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M-H+CF3COOH"	112.985586
"1295142"	325.041964	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Cl+CF3COOH"	148.962264
"1376585"	141.067024	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H-2H2O"	-35.012676
"1390800"	159.077	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H-H2O"	-17.0027
"295955"	353.166676	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+H"	1.007276
"688014"	529.246376	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+H"	1.007276
"1361448"	177.086976	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H"	1.007276
"132149"	177.086976	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+2H"	2.014552
"567698"	265.126826	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+2H"	2.014552
"1039413"	89.047126	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2H"	2.014552
"205611"	118.393742666667	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+3H"	3.021828
"646877"	177.086976	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+3H"	3.021828
"1166093"	59.7005093333333	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+3H"	3.021828
"426088"	370.193223	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+NH4"	18.033823
"792554"	546.272923	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+NH4"	18.033823
"1695084"	194.113523	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+NH4"	18.033823
"339356"	185.6002495	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+H+NH4"	19.041099
"728498"	273.6400995	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+H+NH4"	19.041099
"1480493"	97.5603995	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H+NH4"	19.041099
"396255"	375.148618	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+Na"	22.989218
"756521"	551.228318	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+Na"	22.989218
"1611180"	199.068918	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Na"	22.989218
"322309"	188.077947	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+H+Na"	23.996494
"712546"	276.117797	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+H+Na"	23.996494
"1469648"	100.038097	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H+Na"	23.996494
"1062894"	67.0278233333333	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2H+Na"	25.00377
"1265667"	209.113186	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+CH3OH+H"	33.033486
"385337"	391.122558	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+K"	38.963158
"745238"	567.202258	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+K"	38.963158
"1547291"	215.042858	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+K"	38.963158
"305563"	196.064917	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+H+K"	39.970434
"700171"	284.104767	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+H+K"	39.970434
"1455086"	108.025067	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H+K"	39.970434
"242592"	394.193226	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+ACN+H"	42.033826
"1210805"	218.113526	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+ACN+H"	42.033826
"1195301"	109.560401	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+ACN+2H"	43.041102
"189386"	397.13056	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+2Na-H"	44.97116
"634906"	573.21026	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+2Na-H"	44.97116
"1143880"	221.05086	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2Na-H"	44.97116
"183890"	199.068918	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+2Na"	45.978436
"625641"	287.108768	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+2Na"	45.978436
"1128782"	111.029068	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2Na"	45.978436
"1410481"	74.3551373333333	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H+2Na"	46.985712
"1444421"	223.092446	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H+HCOOH"	47.012746
"231199"	204.10194	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+3H2O+2H"	56.04448
"1522179"	237.14449	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+IsoProp+H"	61.06479
"422960"	207.055888	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+Na+K"	61.952376
"784925"	295.095738	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+Na+K"	61.952376
"1679554"	119.016038	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Na+K"	61.952376
"260609"	416.175168	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+ACN+Na"	64.015768
"1232224"	240.095468	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+ACN+Na"	64.015768
"1721113"	240.118993	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+NH4+HCOOH"	64.039293
"1187561"	81.6824513333333	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+3Na"	68.967654
"1654173"	245.074388	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Na+HCOOH"	68.994688
"158966"	429.07844	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+2K-H"	76.91904
"598403"	605.15814	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+2K-H"	76.91904
"1085103"	252.99874	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2K-H"	76.91904
"142284"	215.042858	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"2M+2K"	77.926316
"586947"	303.082708	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"3M+2K"	77.926316
"1071458"	127.003008	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2K"	77.926316
"1102480"	255.013292	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2K+H"	78.933592
"1337774"	255.100907	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+DMSO+H"	79.021207
"1008490"	259.140076	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2ACN+H"	83.060376
"1526617"	260.133708	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+IsoProp+Na+H"	84.054008
"993069"	130.073676	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+2ACN+2H"	84.067652
"1597416"	261.048328	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+K+HCOOH"	84.968628
"1424173"	291.079838	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+H+CF3COOH"	115.000138
"1157742"	150.586951	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+3ACN+2H"	125.094202
"1707291"	308.106385	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+NH4+CF3COOH"	132.026685
"1645128"	313.06178	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+Na+CF3COOH"	136.98208
"1580783"	329.03572	"C19719"	"D-Alanyl-D-serine"	"C6H12N2O4"	"176.0797"	"M+K+CF3COOH"	152.95602
"807870"	1007.2774	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M"	0
"989304"	988.25901	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H2O-H"	-19.01839
"74021"	670.510990666667	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-3H"	-3.021828
"509210"	1006.270124	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-3H"	-3.021828
"883729"	334.751857333333	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-3H"	-3.021828
"5588"	1006.270124	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H"	-2.014552
"441870"	1509.908824	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H"	-2.014552
"818579"	502.631424	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H"	-2.014552
"85132"	2013.547524	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-H"	-1.007276
"524692"	3020.824924	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-H"	-1.007276
"905776"	1006.270124	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H"	-1.007276
"55777"	2030.574071	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+NH4"	16.019271
"494245"	3037.851471	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+NH4"	16.019271
"873140"	1023.296671	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+NH4"	16.019271
"36666"	2035.529466	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+Na"	20.974666
"472946"	3042.806866	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+Na"	20.974666
"855120"	1028.252066	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+Na"	20.974666
"1625749"	1028.252066	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na-2H"	20.974666
"104464"	1024.258463	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-H+Cl"	33.962126
"536368"	1527.897163	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-H+Cl"	33.962126
"929880"	520.619763	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+Cl"	33.962126
"271719"	2049.524202	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Cl"	34.969402
"667423"	3056.801602	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Cl"	34.969402
"1282014"	1042.246802	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl"	34.969402
"25670"	2051.503406	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M-2H+K"	36.948606
"465231"	3058.780806	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M-2H+K"	36.948606
"846681"	1044.226006	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-2H+K"	36.948606
"1569078"	1044.226006	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K-2H"	36.948606
"956354"	1052.275594	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+HCOOH"	44.998194
"373356"	2059.553001	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+HCOOH-H"	44.998201
"359062"	2073.568651	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Hac-H"	59.013851
"1507168"	1066.291251	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Hac-H"	59.013851
"973253"	1074.257551	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+NaCOOH"	66.980151
"123983"	1042.246802	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Cl"	69.938804
"559892"	1545.885502	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Cl"	69.938804
"1026870"	538.608102	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Cl"	69.938804
"1247542"	1086.196285	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Br"	78.918885
"1312176"	1088.252272	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+HCOOH"	80.974872
"1328578"	1110.234229	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+NaCOOH"	102.956829
"917447"	1120.262986	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M-H+CF3COOH"	112.985586
"1294519"	1156.239664	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Cl+CF3COOH"	148.962264
"1373414"	972.264724	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H-2H2O"	-35.012676
"1387627"	990.2747	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H-H2O"	-17.0027
"289503"	2015.562076	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H"	1.007276
"681925"	3022.839476	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H"	1.007276
"1361557"	1008.284676	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H"	1.007276
"135539"	1008.284676	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2H"	2.014552
"569633"	1511.923376	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2H"	2.014552
"1039525"	504.645976	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2H"	2.014552
"207425"	672.525542666667	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+3H"	3.021828
"648080"	1008.284676	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+3H"	3.021828
"1167297"	336.766409333333	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3H"	3.021828
"428382"	2032.588623	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+NH4"	18.033823
"792664"	3039.866023	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+NH4"	18.033823
"1695561"	1025.311223	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4"	18.033823
"339466"	1016.7979495	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+NH4"	19.041099
"730065"	1520.4366495	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+NH4"	19.041099
"1481697"	513.1592495	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+NH4"	19.041099
"403292"	2037.544018	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Na"	22.989218
"760276"	3044.821418	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Na"	22.989218
"1609104"	1030.266618	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na"	22.989218
"327522"	1019.275647	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+Na"	23.996494
"714842"	1522.914347	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+Na"	23.996494
"1473038"	515.636947	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+Na"	23.996494
"1061913"	344.093723333333	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2H+Na"	25.00377
"1267963"	1040.310886	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+CH3OH+H"	33.033486
"389821"	2053.517958	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+K"	38.963158
"748630"	3060.795358	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+K"	38.963158
"1550681"	1046.240558	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K"	38.963158
"305672"	1027.262617	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+H+K"	39.970434
"700279"	1530.901317	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+H+K"	39.970434
"1454102"	523.623917	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+K"	39.970434
"241610"	2056.588626	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+ACN+H"	42.033826
"1211282"	1049.311226	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+H"	42.033826
"1197841"	525.159251	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+2H"	43.041102
"190104"	2059.52596	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Na-H"	44.97116
"635016"	3066.80336	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Na-H"	44.97116
"1143991"	1052.24856	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Na-H"	44.97116
"185823"	1030.266618	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2Na"	45.978436
"624656"	1533.905318	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2Na"	45.978436
"1128162"	526.627918	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2Na"	45.978436
"1408405"	351.421037333333	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+2Na"	46.985712
"1443800"	1054.290146	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+HCOOH"	47.012746
"230215"	1035.29964	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+3H2O+2H"	56.04448
"1519371"	1068.34219	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+IsoProp+H"	61.06479
"421244"	1038.253588	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+Na+K"	61.952376
"785528"	1541.892288	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+Na+K"	61.952376
"1678570"	534.614888	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+K"	61.952376
"261812"	2078.570568	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+ACN+Na"	64.015768
"1232334"	1071.293168	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+ACN+Na"	64.015768
"1722316"	1071.316693	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4+HCOOH"	64.039293
"1187671"	358.748351333333	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3Na"	68.967654
"1654647"	1076.272088	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+HCOOH"	68.994688
"158225"	2091.47384	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2K-H"	76.91904
"599605"	3098.75124	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2K-H"	76.91904
"1086671"	1084.19644	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K-H"	76.91904
"144215"	1046.240558	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"2M+2K"	77.926316
"588150"	1549.879258	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"3M+2K"	77.926316
"1071569"	542.601858	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K"	77.926316
"1104777"	1086.210992	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2K+H"	78.933592
"1337884"	1086.298607	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+DMSO+H"	79.021207
"1007507"	1090.337776	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2ACN+H"	83.060376
"1527816"	1091.331408	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+IsoProp+Na+H"	84.054008
"998648"	545.672526	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+2ACN+2H"	84.067652
"1597526"	1092.246028	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K+HCOOH"	84.968628
"1423188"	1122.277538	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+H+CF3COOH"	115.000138
"1158945"	566.185801	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+3ACN+2H"	125.094202
"1707401"	1139.304085	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+NH4+CF3COOH"	132.026685
"1641959"	1144.25948	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+Na+CF3COOH"	136.98208
"1580893"	1160.23342	"C19720"	"N6-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl)-D-lysine"	"C34H55N7O24P2"	"1007.2774"	"M+K+CF3COOH"	152.95602
"807980"	127.0269	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M"	0
"989170"	108.00851	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-H2O-H"	-19.01839
"67570"	83.677324	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M-3H"	-3.021828
"509321"	126.019624	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M-3H"	-3.021828
"881046"	41.335024	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-3H"	-3.021828
"4605"	126.019624	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M-2H"	-2.014552
"441980"	189.533074	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M-2H"	-2.014552
"825250"	62.506174	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-2H"	-2.014552
"84149"	253.046524	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M-H"	-1.007276
"524802"	380.073424	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M-H"	-1.007276
"909167"	126.019624	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-H"	-1.007276
"56982"	270.073071	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M-2H+NH4"	16.019271
"494355"	397.099971	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M-2H+NH4"	16.019271
"873250"	143.046171	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-2H+NH4"	16.019271
"40057"	275.028466	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M-2H+Na"	20.974666
"477430"	402.055366	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M-2H+Na"	20.974666
"857418"	148.001566	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-2H+Na"	20.974666
"1624766"	148.001566	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Na-2H"	20.974666
"103481"	144.007963	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M-H+Cl"	33.962126
"537572"	207.521413	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M-H+Cl"	33.962126
"929992"	80.494513	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-H+Cl"	33.962126
"270738"	289.023202	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+Cl"	34.969402
"665346"	416.050102	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+Cl"	34.969402
"1282124"	161.996302	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Cl"	34.969402
"25780"	291.002406	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M-2H+K"	36.948606
"467525"	418.029306	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M-2H+K"	36.948606
"844237"	163.975506	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-2H+K"	36.948606
"1562256"	163.975506	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+K-2H"	36.948606
"949044"	172.025094	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-H+HCOOH"	44.998194
"370911"	299.052001	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+HCOOH-H"	44.998201
"359169"	313.067651	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+Hac-H"	59.013851
"1507398"	186.040751	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Hac-H"	59.013851
"972994"	194.007051	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-H+NaCOOH"	66.980151
"124575"	161.996302	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+2Cl"	69.938804
"564380"	225.509752	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+2Cl"	69.938804
"1031354"	98.482852	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2Cl"	69.938804
"1253120"	205.945785	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Br"	78.918885
"1314474"	208.001772	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Cl+HCOOH"	80.974872
"1328688"	229.983729	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Cl+NaCOOH"	102.956829
"913549"	240.012486	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M-H+CF3COOH"	112.985586
"1291350"	275.989164	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Cl+CF3COOH"	148.962264
"1371336"	92.014224	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H-2H2O"	-35.012676
"1385914"	110.0242	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H-H2O"	-17.0027
"289613"	255.061076	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+H"	1.007276
"682035"	382.087976	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+H"	1.007276
"1361667"	128.034176	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H"	1.007276
"132367"	128.034176	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+2H"	2.014552
"570107"	191.547626	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+2H"	2.014552
"1039635"	64.520726	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2H"	2.014552
"205349"	85.691876	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+3H"	3.021828
"644545"	128.034176	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+3H"	3.021828
"1165221"	43.349576	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+3H"	3.021828
"427399"	272.087623	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+NH4"	18.033823
"792774"	399.114523	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+NH4"	18.033823
"1692391"	145.060723	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+NH4"	18.033823
"336297"	136.5474495	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+H+NH4"	19.041099
"731995"	200.0608995	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+H+NH4"	19.041099
"1481442"	73.0339995	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H+NH4"	19.041099
"400122"	277.043018	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+Na"	22.989218
"758199"	404.069918	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+Na"	22.989218
"1607026"	150.016118	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Na"	22.989218
"321436"	139.025147	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+H+Na"	23.996494
"713859"	202.538597	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+H+Na"	23.996494
"1472055"	75.511697	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H+Na"	23.996494
"1060929"	50.67689	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2H+Na"	25.00377
"1266978"	160.060386	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+CH3OH+H"	33.033486
"386650"	293.016958	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+K"	38.963158
"748739"	420.043858	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+K"	38.963158
"1547511"	165.990058	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+K"	38.963158
"304688"	147.012117	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+H+K"	39.970434
"696017"	210.525567	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+H+K"	39.970434
"1452025"	83.498667	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H+K"	39.970434
"238439"	296.087626	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+ACN+H"	42.033826
"1210417"	169.060726	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+ACN+H"	42.033826
"1196249"	85.034001	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+ACN+2H"	43.041102
"190093"	299.02496	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+2Na-H"	44.97116
"636219"	426.05186	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+2Na-H"	44.97116
"1143736"	171.99806	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2Na-H"	44.97116
"183017"	150.016118	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+2Na"	45.978436
"625858"	213.529568	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+2Na"	45.978436
"1127907"	86.502668	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2Na"	45.978436
"1408515"	58.004204	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H+2Na"	46.985712
"1442817"	174.039646	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H+HCOOH"	47.012746
"230325"	155.04914	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+3H2O+2H"	56.04448
"1519481"	188.09169	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+IsoProp+H"	61.06479
"418074"	158.003088	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+Na+K"	61.952376
"785187"	221.516538	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+Na+K"	61.952376
"1678680"	94.489638	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Na+K"	61.952376
"261921"	318.069568	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+ACN+Na"	64.015768
"1232444"	191.042668	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+ACN+Na"	64.015768
"1724613"	191.066193	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+NH4+HCOOH"	64.039293
"1187781"	65.331518	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+3Na"	68.967654
"1654757"	196.021588	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Na+HCOOH"	68.994688
"158701"	330.97284	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+2K-H"	76.91904
"599471"	457.99974	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+2K-H"	76.91904
"1087510"	203.94594	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2K-H"	76.91904
"142987"	165.990058	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"2M+2K"	77.926316
"587165"	229.503508	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"3M+2K"	77.926316
"1070584"	102.476608	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2K"	77.926316
"1102700"	205.960492	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2K+H"	78.933592
"1336536"	206.048107	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+DMSO+H"	79.021207
"1007737"	210.087276	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2ACN+H"	83.060376
"1527926"	211.080908	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+IsoProp+Na+H"	84.054008
"998758"	105.547276	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+2ACN+2H"	84.067652
"1596543"	211.995528	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+K+HCOOH"	84.968628
"1424391"	242.027038	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+H+CF3COOH"	115.000138
"1157962"	126.060551	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+3ACN+2H"	125.094202
"1707511"	259.053585	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+NH4+CF3COOH"	132.026685
"1640975"	264.00898	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+Na+CF3COOH"	136.98208
"1581003"	279.98292	"C19721"	"5-Hydroxypyrrole-2-carboxylate"	"C5H5NO3"	"127.0269"	"M+K+CF3COOH"	152.95602
"811374"	937.352	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M"	0
"979441"	918.33361	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-H2O-H"	-19.01839
"69869"	623.894057333333	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M-3H"	-3.021828
"503959"	936.344724	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M-3H"	-3.021828
"881398"	311.443390666667	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-3H"	-3.021828
"2525"	936.344724	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M-2H"	-2.014552
"444274"	1405.020724	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M-2H"	-2.014552
"817115"	467.668724	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-2H"	-2.014552
"80611"	1873.696724	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M-H"	-1.007276
"523819"	2811.048724	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M-H"	-1.007276
"908184"	936.344724	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-H"	-1.007276
"59278"	1890.723271	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M-2H+NH4"	16.019271
"496651"	2828.075271	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M-2H+NH4"	16.019271
"874454"	953.371271	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-2H+NH4"	16.019271
"40167"	1895.678666	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M-2H+Na"	20.974666
"479727"	2833.030666	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M-2H+Na"	20.974666
"853154"	958.326666	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-2H+Na"	20.974666
"1628154"	958.326666	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Na-2H"	20.974666
"98121"	954.333063	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M-H+Cl"	33.962126
"538774"	1423.009063	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M-H+Cl"	33.962126
"931194"	485.657063	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-H+Cl"	33.962126
"273033"	1909.673402	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+Cl"	34.969402
"663269"	2847.025402	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+Cl"	34.969402
"1282237"	972.321402	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Cl"	34.969402
"28076"	1911.652606	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M-2H+K"	36.948606
"468729"	2849.004606	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M-2H+K"	36.948606
"841065"	974.300606	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-2H+K"	36.948606
"1563455"	974.300606	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+K-2H"	36.948606
"949154"	982.350194	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-H+HCOOH"	44.998194
"366278"	1919.702201	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+HCOOH-H"	44.998201
"355267"	1933.717851	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+Hac-H"	59.013851
"1505559"	996.365851	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Hac-H"	59.013851
"973835"	1004.332151	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-H+NaCOOH"	66.980151
"120915"	972.321402	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+2Cl"	69.938804
"559018"	1440.997402	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+2Cl"	69.938804
"1032557"	503.645402	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2Cl"	69.938804
"1251770"	1016.270885	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Br"	78.918885
"1314582"	1018.326872	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Cl+HCOOH"	80.974872
"1326611"	1040.308829	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Cl+NaCOOH"	102.956829
"920950"	1050.337586	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M-H+CF3COOH"	112.985586
"1296566"	1086.314264	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Cl+CF3COOH"	148.962264
"1375820"	902.339324	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H-2H2O"	-35.012676
"1388942"	920.3493	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H-H2O"	-17.0027
"288629"	1875.711276	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+H"	1.007276
"682147"	2813.063276	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+H"	1.007276
"1356308"	938.359276	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H"	1.007276
"132478"	938.359276	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+2H"	2.014552
"568758"	1407.035276	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+2H"	2.014552
"1037559"	469.683276	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2H"	2.014552
"204336"	625.908609333333	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+3H"	3.021828
"644404"	938.359276	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+3H"	3.021828
"1162964"	313.457942666667	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+3H"	3.021828
"424279"	1892.737823	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+NH4"	18.033823
"792887"	2830.089823	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+NH4"	18.033823
"1690312"	955.385823	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+NH4"	18.033823
"338590"	946.8725495	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+H+NH4"	19.041099
"729919"	1415.5485495	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+H+NH4"	19.041099
"1483740"	478.1965495	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H+NH4"	19.041099
"402419"	1897.693218	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+Na"	22.989218
"763415"	2835.045218	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+Na"	22.989218
"1611513"	960.341218	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Na"	22.989218
"322643"	949.350247	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+H+Na"	23.996494
"716157"	1418.026247	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+H+Na"	23.996494
"1469978"	480.674247	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H+Na"	23.996494
"1059944"	320.785256666667	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2H+Na"	25.00377
"1261626"	970.385486	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+CH3OH+H"	33.033486
"382386"	1913.667158	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+K"	38.963158
"742288"	2851.019158	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+K"	38.963158
"1548715"	976.315158	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+K"	38.963158
"304798"	957.337217	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+H+K"	39.970434
"697220"	1426.013217	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+H+K"	39.970434
"1453229"	488.661217	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H+K"	39.970434
"236486"	1916.737826	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+ACN+H"	42.033826
"1210406"	979.385826	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+ACN+H"	42.033826
"1194324"	490.196551	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+ACN+2H"	43.041102
"191296"	1919.67516	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+2Na-H"	44.97116
"637424"	2857.02716	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+2Na-H"	44.97116
"1143117"	982.32316	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2Na-H"	44.97116
"186652"	960.341218	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+2Na"	45.978436
"626698"	1429.017218	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+2Na"	45.978436
"1130204"	491.665218	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2Na"	45.978436
"1412636"	328.112570666667	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H+2Na"	46.985712
"1440741"	984.364746	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H+HCOOH"	47.012746
"233352"	965.37424	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+3H2O+2H"	56.04448
"1521776"	998.41679	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+IsoProp+H"	61.06479
"414900"	968.328188	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+Na+K"	61.952376
"775902"	1437.004188	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+Na+K"	61.952376
"1674423"	499.652188	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Na+K"	61.952376
"262035"	1938.719768	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+ACN+Na"	64.015768
"1234746"	1001.367768	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+ACN+Na"	64.015768
"1722537"	1001.391293	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+NH4+HCOOH"	64.039293
"1179871"	335.439884666667	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+3Na"	68.967654
"1651951"	1006.346688	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Na+HCOOH"	68.994688
"158811"	1951.62304	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+2K-H"	76.91904
"598368"	2888.97504	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+2K-H"	76.91904
"1086162"	1014.27104	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2K-H"	76.91904
"143342"	976.315158	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"2M+2K"	77.926316
"583995"	1444.991158	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"3M+2K"	77.926316
"1072880"	507.639158	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2K"	77.926316
"1103904"	1016.285592	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2K+H"	78.933592
"1338106"	1016.373207	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+DMSO+H"	79.021207
"1008828"	1020.412376	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2ACN+H"	83.060376
"1528048"	1021.406008	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+IsoProp+Na+H"	84.054008
"990606"	510.709826	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+2ACN+2H"	84.067652
"1588634"	1022.320628	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+K+HCOOH"	84.968628
"1422316"	1052.352138	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+H+CF3COOH"	115.000138
"1159167"	531.223101	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+3ACN+2H"	125.094202
"1705438"	1069.378685	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+NH4+CF3COOH"	132.026685
"1635984"	1074.33408	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+Na+CF3COOH"	136.98208
"1577834"	1090.30802	"C19724"	"Cobyrinate c-monamide;Cobyrinic acid c-monoamide"	"C45H60CoN5O13"	"937.352"	"M+K+CF3COOH"	152.95602
"811484"	662.0874	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M"	0
"981738"	643.06901	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H2O-H"	-19.01839
"67793"	440.384324	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-3H"	-3.021828
"506258"	661.080124	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-3H"	-3.021828
"880046"	219.688524	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-3H"	-3.021828
"1542"	661.080124	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H"	-2.014552
"444383"	992.123824	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H"	-2.014552
"817120"	330.036424	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H"	-2.014552
"80357"	1323.167524	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-H"	-1.007276
"523929"	1985.254924	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-H"	-1.007276
"909387"	661.080124	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H"	-1.007276
"58295"	1340.194071	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H+NH4"	16.019271
"498949"	2002.281471	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H+NH4"	16.019271
"872378"	678.106671	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H+NH4"	16.019271
"43560"	1345.149466	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H+Na"	20.974666
"480932"	2007.236866	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H+Na"	20.974666
"859824"	683.062066	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H+Na"	20.974666
"1627171"	683.062066	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na-2H"	20.974666
"101513"	679.068463	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-H+Cl"	33.962126
"543259"	1010.112163	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-H+Cl"	33.962126
"932399"	348.024763	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+Cl"	33.962126
"272050"	1359.144202	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Cl"	34.969402
"666660"	2021.231602	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+Cl"	34.969402
"1279065"	697.056802	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl"	34.969402
"20529"	1361.123406	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H+K"	36.948606
"463370"	2023.210806	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H+K"	36.948606
"838987"	699.036006	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H+K"	36.948606
"1561381"	699.036006	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K-2H"	36.948606
"949264"	707.085594	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+HCOOH"	44.998194
"367482"	1369.173001	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+HCOOH-H"	44.998201
"350273"	1383.188651	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Hac-H"	59.013851
"1504576"	721.101251	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Hac-H"	59.013851
"968108"	729.067551	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+NaCOOH"	66.980151
"117744"	697.056802	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2Cl"	69.938804
"558399"	1028.100502	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2Cl"	69.938804
"1032667"	366.013102	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2Cl"	69.938804
"1248964"	741.006285	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Br"	78.918885
"1312505"	743.062272	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl+HCOOH"	80.974872
"1331095"	765.044229	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl+NaCOOH"	102.956829
"923247"	775.072986	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+CF3COOH"	112.985586
"1295581"	811.049664	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl+CF3COOH"	148.962264
"1375929"	627.074724	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H-2H2O"	-35.012676
"1385772"	645.0847	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H-H2O"	-17.0027
"287646"	1325.182076	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H"	1.007276
"686631"	1987.269476	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H"	1.007276
"1354230"	663.094676	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H"	1.007276
"130401"	663.094676	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2H"	2.014552
"571055"	994.138376	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2H"	2.014552
"1037501"	332.050976	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2H"	2.014552
"204546"	442.398876	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+3H"	3.021828
"645118"	663.094676	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+3H"	3.021828
"1163239"	221.703076	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+3H"	3.021828
"424689"	1342.208623	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+NH4"	18.033823
"798466"	2004.296023	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+NH4"	18.033823
"1690422"	680.121223	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+NH4"	18.033823
"340888"	671.6079495	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H+NH4"	19.041099
"733309"	1002.6516495	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H+NH4"	19.041099
"1486037"	340.5642495	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+NH4"	19.041099
"400343"	1347.164018	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Na"	22.989218
"763525"	2009.251418	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+Na"	22.989218
"1611623"	685.076618	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na"	22.989218
"322753"	674.085647	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H+Na"	23.996494
"716267"	1005.129347	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H+Na"	23.996494
"1470089"	343.041947	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+Na"	23.996494
"1057867"	229.03039	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2H+Na"	25.00377
"1261736"	695.120886	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+CH3OH+H"	33.033486
"381403"	1363.137958	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+K"	38.963158
"741669"	2025.225358	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+K"	38.963158
"1549918"	701.050558	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K"	38.963158
"303815"	682.072617	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H+K"	39.970434
"698423"	1013.116317	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H+K"	39.970434
"1453338"	351.028917	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+K"	39.970434
"236959"	1366.208626	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+ACN+H"	42.033826
"1209940"	704.121226	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+ACN+H"	42.033826
"1194251"	352.564251	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+ACN+2H"	43.041102
"188929"	1369.14596	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2Na-H"	44.97116
"638627"	2031.23336	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2Na-H"	44.97116
"1142863"	707.05856	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2Na-H"	44.97116
"186154"	685.076618	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2Na"	45.978436
"626808"	1016.120318	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2Na"	45.978436
"1131173"	354.032918	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2Na"	45.978436
"1413971"	236.357704	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+2Na"	46.985712
"1444867"	709.100146	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+HCOOH"	47.012746
"235046"	690.10964	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+3H2O+2H"	56.04448
"1522615"	723.15219	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+IsoProp+H"	61.06479
"418290"	693.063588	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Na+K"	61.952376
"779290"	1024.107288	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+Na+K"	61.952376
"1673434"	362.019888	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na+K"	61.952376
"262145"	1388.190568	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+ACN+Na"	64.015768
"1234855"	726.103168	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+ACN+Na"	64.015768
"1721554"	726.126693	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+NH4+HCOOH"	64.039293
"1179981"	243.685018	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+3Na"	68.967654
"1652061"	731.082088	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na+HCOOH"	68.994688
"158922"	1401.09384	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2K-H"	76.91904
"597753"	2063.18124	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2K-H"	76.91904
"1086639"	739.00644	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2K-H"	76.91904
"143088"	701.050558	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2K"	77.926316
"586292"	1032.094258	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2K"	77.926316
"1072990"	370.006858	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2K"	77.926316
"1105106"	741.020992	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2K+H"	78.933592
"1338217"	741.108607	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+DMSO+H"	79.021207
"1011125"	745.147776	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2ACN+H"	83.060376
"1531439"	746.141408	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+IsoProp+Na+H"	84.054008
"992420"	373.077526	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2ACN+2H"	84.067652
"1593484"	747.056028	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K+HCOOH"	84.968628
"1423519"	777.087538	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+CF3COOH"	115.000138
"1160370"	393.590801	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+3ACN+2H"	125.094202
"1700080"	794.114085	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+NH4+CF3COOH"	132.026685
"1634637"	799.06948	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na+CF3COOH"	136.98208
"1577944"	815.04342	"C19725"	"UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronate;UDP-alpha-D-GlcNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-glucuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K+CF3COOH"	152.95602
"811594"	330.2195	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M"	0
"978567"	311.20111	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"67903"	219.139057333333	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"505274"	329.212224	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"880361"	109.065890666667	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"353"	329.212224	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"441334"	494.321974	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"818165"	164.102474	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"78762"	659.431724	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"524039"	989.651224	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"908039"	329.212224	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"59134"	676.458271	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"499058"	1006.677771	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"872489"	346.238771	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"41482"	681.413666	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"477762"	1011.633166	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"859934"	351.194166	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1626187"	351.194166	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"100528"	347.200563	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"540088"	512.310313	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"932508"	182.090813	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"273253"	695.408402	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"665676"	1025.627902	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1280268"	365.188902	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"21732"	697.387606	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"464573"	1027.607106	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"836910"	367.168106	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1561491"	367.168106	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"947186"	375.217694	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"367589"	705.437201	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"348193"	719.452851	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1494840"	389.233351	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"964570"	397.199651	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"116758"	365.188902	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"554130"	530.298652	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1029494"	200.079152	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1245793"	409.138385	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1312615"	411.194372	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1329018"	433.176329	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"916795"	443.205086	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1293502"	479.181764	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1372756"	295.206824	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1389160"	313.2168	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"287755"	661.446276	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"677991"	991.665776	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1356526"	331.226776	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"132697"	331.226776	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"571162"	496.336526	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1039601"	166.117026	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"205554"	221.153609333333	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"644991"	331.226776	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1163605"	111.080442666667	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"424565"	678.472823	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"792011"	1008.692323	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1690533"	348.253323	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"338812"	339.7400495	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"733419"	504.8497995	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1486145"	174.6302995	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"399723"	683.428218	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"762540"	1013.647718	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1607723"	353.208718	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"322863"	342.217747	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"716377"	507.327497	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1472388"	177.107997	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1060165"	118.407756666667	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1264033"	363.252986	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"384795"	699.402158	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"742510"	1029.621658	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1543469"	369.182658	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"303927"	350.204717	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"699630"	515.314467	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1454546"	185.094967	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"235975"	702.472826	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1209919"	372.253326	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1195365"	186.630301	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"196990"	705.41016	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"642876"	1035.62966	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1146623"	375.19066	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"187365"	353.208718	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"627534"	518.318468	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1130674"	188.098968	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1413711"	125.735070666667	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1440962"	377.232246	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"232724"	358.24174	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1523215"	391.28429	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"422904"	361.195688	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"785314"	526.305438	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1675731"	196.085938	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"262251"	724.454768	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1233506"	394.235268	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1716924"	394.258793	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1179361"	133.062384666667	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1650225"	399.214188	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"157367"	737.35804	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"599320"	1067.57754	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1090027"	407.13854	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"143197"	369.182658	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"584214"	534.292408	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1070186"	204.072908	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1101209"	409.153092	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1336260"	409.240707	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1006130"	413.279876	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1529362"	414.273508	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"994716"	207.143576	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1592498"	415.188128	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1419254"	445.219638	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1155009"	227.656851	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1700190"	462.246185	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1635111"	467.20158	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1578054"	483.17552	"C19726"	"15beta-Hydroxyprogesterone;15beta-Hydroxypregn-4-ene-320-dione"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"816079"	298.0477	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M"	0
"987428"	279.02931	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-H2O-H"	-19.01839
"71296"	197.691190666667	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M-3H"	-3.021828
"508669"	297.040424	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M-3H"	-3.021828
"886471"	98.3419573333333	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-3H"	-3.021828
"13794"	297.040424	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M-2H"	-2.014552
"444608"	446.064274	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M-2H"	-2.014552
"831771"	148.016574	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-2H"	-2.014552
"93590"	595.088124	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M-H"	-1.007276
"533146"	893.135824	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M-H"	-1.007276
"907421"	297.040424	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-H"	-1.007276
"58515"	612.114671	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M-2H+NH4"	16.019271
"498075"	910.162371	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M-2H+NH4"	16.019271
"870411"	314.066971	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-2H+NH4"	16.019271
"38311"	617.070066	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M-2H+Na"	20.974666
"483339"	915.117766	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M-2H+Na"	20.974666
"856765"	319.022366	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-2H+Na"	20.974666
"1620831"	319.022366	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Na-2H"	20.974666
"97726"	315.028763	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M-H+Cl"	33.962126
"536557"	464.052613	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M-H+Cl"	33.962126
"930436"	166.004913	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-H+Cl"	33.962126
"270449"	631.064802	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+Cl"	34.969402
"663965"	929.112502	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+Cl"	34.969402
"1278195"	333.017102	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Cl"	34.969402
"21842"	633.044006	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M-2H+K"	36.948606
"466875"	931.091706	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M-2H+K"	36.948606
"835927"	334.996306	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-2H+K"	36.948606
"1561602"	334.996306	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+K-2H"	36.948606
"949487"	343.045894	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-H+HCOOH"	44.998194
"367701"	641.093601	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+HCOOH-H"	44.998201
"353777"	655.109251	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+Hac-H"	59.013851
"1501514"	357.061551	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Hac-H"	59.013851
"966870"	365.027851	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-H+NaCOOH"	66.980151
"115776"	333.017102	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+2Cl"	69.938804
"554245"	482.040952	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+2Cl"	69.938804
"1025231"	183.993252	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2Cl"	69.938804
"1242986"	376.966585	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Br"	78.918885
"1309444"	379.022572	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Cl+HCOOH"	80.974872
"1325847"	401.004529	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Cl+NaCOOH"	102.956829
"914718"	411.033286	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M-H+CF3COOH"	112.985586
"1292518"	447.009964	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Cl+CF3COOH"	148.962264
"1369590"	263.035024	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H-2H2O"	-35.012676
"1392555"	281.045	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H-H2O"	-17.0027
"286773"	597.102676	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+H"	1.007276
"678101"	895.150376	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+H"	1.007276
"1356638"	299.054976	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H"	1.007276
"130620"	299.054976	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+2H"	2.014552
"568360"	448.078826	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+2H"	2.014552
"1037290"	150.031126	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2H"	2.014552
"205058"	199.705742666667	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+3H"	3.021828
"649727"	299.054976	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+3H"	3.021828
"1172227"	100.356509333333	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+3H"	3.021828
"438301"	614.129223	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+NH4"	18.033823
"800389"	912.176923	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+NH4"	18.033823
"1695021"	316.081523	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+NH4"	18.033823
"336737"	307.5682495	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+H+NH4"	19.041099
"732437"	456.5920995	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+H+NH4"	19.041099
"1487349"	158.5443995	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H+NH4"	19.041099
"400563"	619.084618	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+Na"	22.989218
"757912"	917.132318	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+Na"	22.989218
"1606011"	321.036918	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Na"	22.989218
"320785"	310.045947	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+H+Na"	23.996494
"714303"	459.069797	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+H+Na"	23.996494
"1470312"	161.022097	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H+Na"	23.996494
"1060276"	107.683823333333	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2H+Na"	25.00377
"1266332"	331.081186	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+CH3OH+H"	33.033486
"386000"	635.058558	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+K"	38.963158
"746996"	933.106258	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+K"	38.963158
"1553790"	337.010858	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+K"	38.963158
"309505"	318.032917	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+H+K"	39.970434
"692814"	467.056767	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+H+K"	39.970434
"1452466"	169.009067	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H+K"	39.970434
"235759"	638.129226	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+ACN+H"	42.033826
"1224234"	340.081526	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+ACN+H"	42.033826
"1208492"	170.544401	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+ACN+2H"	43.041102
"202945"	641.06656	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+2Na-H"	44.97116
"642990"	939.11426	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+2Na-H"	44.97116
"1146620"	343.01886	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2Na-H"	44.97116
"187722"	321.036918	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+2Na"	45.978436
"626551"	470.060768	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+2Na"	45.978436
"1131030"	172.013068	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2Na"	45.978436
"1413989"	115.011137333333	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H+2Na"	46.985712
"1444235"	345.060446	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+H+HCOOH"	47.012746
"234174"	326.06994	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+3H2O+2H"	56.04448
"1522842"	359.11249	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+IsoProp+H"	61.06479
"422889"	329.023888	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+Na+K"	61.952376
"781695"	478.047738	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+Na+K"	61.952376
"1675840"	180.000038	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Na+K"	61.952376
"263455"	660.111168	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+ACN+Na"	64.015768
"1235078"	362.063468	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+ACN+Na"	64.015768
"1720681"	362.086993	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+NH4+HCOOH"	64.039293
"1190409"	122.338451333333	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+3Na"	68.967654
"1659208"	367.042388	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+Na+HCOOH"	68.994688
"162059"	673.01444	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+2K-H"	76.91904
"599431"	971.06214	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+2K-H"	76.91904
"1086858"	374.96674	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2K-H"	76.91904
"141729"	337.010858	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"2M+2K"	77.926316
"583598"	486.034708	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"3M+2K"	77.926316
"1070660"	187.987008	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2K"	77.926316
"1102049"	376.981292	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2K+H"	78.933592
"1338432"	377.068907	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+DMSO+H"	79.021207
"1009148"	381.108076	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+2ACN+H"	83.060376
"1524436"	382.101708	"C19727"	"5-Hydroxypseudobaptigenin;57-Dihydroxy-34-methylenedioxyisoflavone"	"C16H10O6"	"298.0477"	"M+IsoProp+Na+H"	84.054008
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"157307"	909.53484	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"2M+2K-H"	76.91904
"601362"	1325.84274	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"3M+2K-H"	76.91904
"1085874"	493.22694	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+2K-H"	76.91904
"143175"	455.271058	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"2M+2K"	77.926316
"585529"	663.425008	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"3M+2K"	77.926316
"1075507"	247.117108	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+2K"	77.926316
"1103249"	495.241492	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+2K+H"	78.933592
"1338541"	495.329107	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+DMSO+H"	79.021207
"1009621"	499.368276	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+2ACN+H"	83.060376
"1525679"	500.361908	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+IsoProp+Na+H"	84.054008
"996030"	250.187776	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+2ACN+2H"	84.067652
"1593813"	501.276528	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+K+HCOOH"	84.968628
"1420569"	531.308038	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+H+CF3COOH"	115.000138
"1155230"	270.701051	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+3ACN+2H"	125.094202
"1702598"	548.334585	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+NH4+CF3COOH"	132.026685
"1634967"	553.28998	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+Na+CF3COOH"	136.98208
"1579367"	569.26392	"C19728"	"all-trans-8-Apo-beta-carotenal;8-Apo-beta-carotenal"	"C30H40O"	"416.3079"	"M+K+CF3COOH"	152.95602
"808643"	164.0837	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M"	0
"982177"	145.06531	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-H2O-H"	-19.01839
"71514"	108.381857333333	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M-3H"	-3.021828
"507792"	163.076424	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M-3H"	-3.021828
"895081"	53.6872906666667	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-3H"	-3.021828
"10737"	163.076424	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M-2H"	-2.014552
"454836"	245.118274	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M-2H"	-2.014552
"831142"	81.034574	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-2H"	-2.014552
"92590"	327.160124	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M-H"	-1.007276
"533491"	491.243824	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M-H"	-1.007276
"906550"	163.076424	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-H"	-1.007276
"52175"	344.186671	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M-2H+NH4"	16.019271
"498295"	508.270371	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M-2H+NH4"	16.019271
"872818"	180.102971	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-2H+NH4"	16.019271
"38532"	349.142066	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M-2H+Na"	20.974666
"483559"	513.225766	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M-2H+Na"	20.974666
"856988"	185.058366	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-2H+Na"	20.974666
"1620202"	185.058366	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Na-2H"	20.974666
"95637"	181.064763	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M-H+Cl"	33.962126
"536170"	263.106613	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M-H+Cl"	33.962126
"930659"	99.022913	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-H+Cl"	33.962126
"272495"	363.136802	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+Cl"	34.969402
"668201"	527.220502	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+Cl"	34.969402
"1284978"	199.053102	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Cl"	34.969402
"28630"	365.116006	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M-2H+K"	36.948606
"463816"	529.199706	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M-2H+K"	36.948606
"838334"	201.032306	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-2H+K"	36.948606
"1562915"	201.032306	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+K-2H"	36.948606
"946424"	209.081894	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-H+HCOOH"	44.998194
"366827"	373.165601	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+HCOOH-H"	44.998201
"350714"	387.181251	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+Hac-H"	59.013851
"1499544"	223.097551	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Hac-H"	59.013851
"961623"	231.063851	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-H+NaCOOH"	66.980151
"114903"	199.053102	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+2Cl"	69.938804
"554466"	281.094952	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+2Cl"	69.938804
"1022655"	117.011252	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2Cl"	69.938804
"1245030"	243.002585	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Br"	78.918885
"1309665"	245.058572	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Cl+HCOOH"	80.974872
"1324975"	267.040529	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Cl+NaCOOH"	102.956829
"917127"	277.069286	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M-H+CF3COOH"	112.985586
"1289581"	313.045964	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Cl+CF3COOH"	148.962264
"1367988"	129.071024	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H-2H2O"	-35.012676
"1392776"	147.081	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H-H2O"	-17.0027
"286994"	329.174676	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+H"	1.007276
"681603"	493.258376	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+H"	1.007276
"1359047"	165.090976	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H"	1.007276
"126948"	165.090976	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+2H"	2.014552
"567121"	247.132826	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+2H"	2.014552
"1041756"	83.049126	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2H"	2.014552
"210387"	110.396409333333	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+3H"	3.021828
"657605"	165.090976	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+3H"	3.021828
"1173550"	55.7018426666667	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+3H"	3.021828
"436822"	346.201223	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+NH4"	18.033823
"798547"	510.284923	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+NH4"	18.033823
"1689774"	182.117523	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+NH4"	18.033823
"342791"	173.6042495	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+H+NH4"	19.041099
"731565"	255.6460995	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+H+NH4"	19.041099
"1485387"	91.5623995	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H+NH4"	19.041099
"404064"	351.156618	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+Na"	22.989218
"762872"	515.240318	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+Na"	22.989218
"1614252"	187.072918	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Na"	22.989218
"327568"	176.081947	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+H+Na"	23.996494
"717805"	258.123797	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+H+Na"	23.996494
"1468344"	94.040097	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H+Na"	23.996494
"1059404"	63.0291566666667	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2H+Na"	25.00377
"1263271"	197.117186	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+CH3OH+H"	33.033486
"378442"	367.130558	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+K"	38.963158
"740655"	531.214258	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+K"	38.963158
"1540268"	203.046858	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+K"	38.963158
"299393"	184.068917	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+H+K"	39.970434
"691528"	266.110767	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+H+K"	39.970434
"1446611"	102.027067	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H+K"	39.970434
"236098"	370.201226	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+ACN+H"	42.033826
"1210585"	206.117526	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+ACN+H"	42.033826
"1194719"	103.562401	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+ACN+2H"	43.041102
"199144"	373.13856	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+2Na-H"	44.97116
"639798"	537.22226	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+2Na-H"	44.97116
"1146718"	209.05486	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2Na-H"	44.97116
"188055"	187.072918	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+2Na"	45.978436
"627872"	269.114768	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+2Na"	45.978436
"1130888"	105.031068	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2Na"	45.978436
"1413886"	70.3564706666667	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H+2Na"	46.985712
"1445063"	211.096446	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H+HCOOH"	47.012746
"235414"	192.10594	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+3H2O+2H"	56.04448
"1523305"	225.14849	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+IsoProp+H"	61.06479
"422745"	195.059888	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+Na+K"	61.952376
"783742"	277.101738	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+Na+K"	61.952376
"1676065"	113.018038	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Na+K"	61.952376
"263677"	392.183168	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+ACN+Na"	64.015768
"1234205"	228.099468	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+ACN+Na"	64.015768
"1720901"	228.122993	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+NH4+HCOOH"	64.039293
"1185163"	77.6837846666667	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+3Na"	68.967654
"1659429"	233.078388	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Na+HCOOH"	68.994688
"163009"	405.08644	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+2K-H"	76.91904
"598193"	569.17014	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+2K-H"	76.91904
"1086351"	241.00274	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2K-H"	76.91904
"147175"	203.046858	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"2M+2K"	77.926316
"592201"	285.088708	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"3M+2K"	77.926316
"1072703"	121.005008	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2K"	77.926316
"1102268"	243.017292	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2K+H"	78.933592
"1337191"	243.104907	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+DMSO+H"	79.021207
"1006211"	247.144076	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2ACN+H"	83.060376
"1526034"	248.137708	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+IsoProp+Na+H"	84.054008
"996142"	124.075676	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+2ACN+2H"	84.067652
"1591737"	249.052328	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+K+HCOOH"	84.968628
"1420679"	279.083838	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+H+CF3COOH"	115.000138
"1158622"	144.588951	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+3ACN+2H"	125.094202
"1702708"	296.110385	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+NH4+CF3COOH"	132.026685
"1634467"	301.06578	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+Na+CF3COOH"	136.98208
"1578384"	317.03972	"C19729"	"(2E4E6E)-26-Dimethylocta-246-trienedial"	"C10H12O2"	"164.0837"	"M+K+CF3COOH"	152.95602
"810939"	296.1776	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M"	0
"982287"	277.15921	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-H2O-H"	-19.01839
"71624"	196.444457333333	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M-3H"	-3.021828
"511182"	295.170324	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M-3H"	-3.021828
"895192"	97.7185906666667	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-3H"	-3.021828
"10847"	295.170324	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M-2H"	-2.014552
"454662"	443.259124	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M-2H"	-2.014552
"832587"	147.081524	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-2H"	-2.014552
"93185"	591.347924	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M-H"	-1.007276
"533600"	887.525524	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M-H"	-1.007276
"909456"	295.170324	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-H"	-1.007276
"57753"	608.374471	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M-2H+NH4"	16.019271
"498406"	904.552071	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M-2H+NH4"	16.019271
"872929"	312.196871	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-2H+NH4"	16.019271
"41924"	613.329866	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M-2H+Na"	20.974666
"479297"	909.507466	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M-2H+Na"	20.974666
"854911"	317.152266	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-2H+Na"	20.974666
"1622620"	317.152266	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Na-2H"	20.974666
"96962"	313.158663	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M-H+Cl"	33.962126
"539437"	461.247463	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M-H+Cl"	33.962126
"931862"	165.069863	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-H+Cl"	33.962126
"272605"	627.324602	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+Cl"	34.969402
"667215"	923.502202	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+Cl"	34.969402
"1283993"	331.147002	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Cl"	34.969402
"28738"	629.303806	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M-2H+K"	36.948606
"465019"	925.481406	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M-2H+K"	36.948606
"834433"	333.126206	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-2H+K"	36.948606
"1561932"	333.126206	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+K-2H"	36.948606
"944709"	341.175794	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-H+HCOOH"	44.998194
"366937"	637.353401	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+HCOOH-H"	44.998201
"350822"	651.369051	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+Hac-H"	59.013851
"1497467"	355.191451	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Hac-H"	59.013851
"961733"	363.157751	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-H+NaCOOH"	66.980151
"117201"	331.147002	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+2Cl"	69.938804
"551538"	479.235802	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+2Cl"	69.938804
"1022523"	183.058202	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2Cl"	69.938804
"1244047"	375.096485	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Br"	78.918885
"1309775"	377.152472	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Cl+HCOOH"	80.974872
"1321439"	399.134429	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Cl+NaCOOH"	102.956829
"915050"	409.163186	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M-H+CF3COOH"	112.985586
"1289205"	445.139864	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Cl+CF3COOH"	148.962264
"1368460"	261.164924	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H-2H2O"	-35.012676
"1392886"	279.1749	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H-H2O"	-17.0027
"287104"	593.362476	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+H"	1.007276
"681713"	889.540076	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+H"	1.007276
"1359157"	297.184876	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H"	1.007276
"126574"	297.184876	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+2H"	2.014552
"566500"	445.273676	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+2H"	2.014552
"1041136"	149.096076	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2H"	2.014552
"209036"	198.459009333333	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+3H"	3.021828
"657715"	297.184876	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+3H"	3.021828
"1174749"	99.7331426666667	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+3H"	3.021828
"436929"	610.389023	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+NH4"	18.033823
"799020"	906.566623	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+NH4"	18.033823
"1689883"	314.211423	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+NH4"	18.033823
"338161"	305.6981495	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+H+NH4"	19.041099
"732770"	453.7869495	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+H+NH4"	19.041099
"1486590"	157.6093495	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H+NH4"	19.041099
"400893"	615.344418	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+Na"	22.989218
"762982"	911.522018	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+Na"	22.989218
"1613269"	319.166818	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Na"	22.989218
"322212"	308.175847	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+H+Na"	23.996494
"712446"	456.264647	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+H+Na"	23.996494
"1466267"	160.087047	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H+Na"	23.996494
"1058421"	107.060456666667	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2H+Na"	25.00377
"1262290"	329.211086	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+CH3OH+H"	33.033486
"383050"	631.318358	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+K"	38.963158
"740764"	927.495958	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+K"	38.963158
"1540629"	335.140758	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+K"	38.963158
"299991"	316.162817	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+H+K"	39.970434
"691500"	464.251617	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+H+K"	39.970434
"1447327"	168.074017	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H+K"	39.970434
"238118"	634.389026	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+ACN+H"	42.033826
"1211191"	338.211426	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+ACN+H"	42.033826
"1195438"	169.609351	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+ACN+2H"	43.041102
"190863"	637.32636	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+2Na-H"	44.97116
"639908"	933.50396	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+2Na-H"	44.97116
"1144143"	341.14876	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2Na-H"	44.97116
"188305"	319.166818	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+2Na"	45.978436
"628389"	467.255618	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+2Na"	45.978436
"1131278"	171.078018	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2Na"	45.978436
"1414084"	114.387770666667	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H+2Na"	46.985712
"1445508"	343.190346	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H+HCOOH"	47.012746
"235560"	324.19984	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+3H2O+2H"	56.04448
"1523780"	357.24239	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+IsoProp+H"	61.06479
"424245"	327.153788	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+Na+K"	61.952376
"783850"	475.242588	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+Na+K"	61.952376
"1679454"	179.064988	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Na+K"	61.952376
"264880"	656.370968	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+ACN+Na"	64.015768
"1236501"	360.193368	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+ACN+Na"	64.015768
"1718459"	360.216893	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+NH4+HCOOH"	64.039293
"1183813"	121.715084666667	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+3Na"	68.967654
"1656259"	365.172288	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Na+HCOOH"	68.994688
"163119"	669.27424	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+2K-H"	76.91904
"598668"	965.45184	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+2K-H"	76.91904
"1086460"	373.09664	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2K-H"	76.91904
"149472"	335.140758	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"2M+2K"	77.926316
"589030"	483.229558	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"3M+2K"	77.926316
"1072813"	187.051958	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2K"	77.926316
"1104199"	375.111192	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2K+H"	78.933592
"1336575"	375.198807	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+DMSO+H"	79.021207
"1006688"	379.237976	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2ACN+H"	83.060376
"1525176"	380.231608	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+IsoProp+Na+H"	84.054008
"991873"	190.122626	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+2ACN+2H"	84.067652
"1592940"	381.146228	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+K+HCOOH"	84.968628
"1421882"	411.177738	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+H+CF3COOH"	115.000138
"1158732"	210.635901	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+3ACN+2H"	125.094202
"1703912"	428.204285	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+NH4+CF3COOH"	132.026685
"1637375"	433.15968	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+Na+CF3COOH"	136.98208
"1578494"	449.13362	"C19730"	"Crocetin dialdehyde"	"C20H24O2"	"296.1776"	"M+K+CF3COOH"	152.95602
"811049"	168.115	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M"	0
"982397"	149.09661	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"71734"	111.069390666667	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"509106"	167.107724	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"895179"	55.0310573333333	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"14237"	167.107724	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"454771"	251.165224	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"832576"	83.050224	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"93052"	335.222724	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"533588"	503.337724	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"906771"	167.107724	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"54583"	352.249271	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"495236"	520.364271	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"873039"	184.134271	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"42034"	357.204666	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"479407"	525.319666	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"851741"	189.089666	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1621273"	189.089666	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"96709"	185.096063	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"536266"	269.153563	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"931972"	101.038563	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"271622"	371.199402	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"666232"	539.314402	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1280824"	203.084402	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"25568"	373.178606	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"464035"	541.293606	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"834541"	205.063606	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1559855"	205.063606	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"943846"	213.113194	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"365954"	381.228201	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"348746"	395.243851	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1496484"	227.128851	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"961843"	235.095151	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"114031"	203.084402	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"551406"	287.141902	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1022391"	119.026902	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1244157"	247.033885	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1305510"	249.089872	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1323007"	271.071829	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"915160"	281.100586	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1289073"	317.077264	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1369663"	133.102324	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1392996"	151.1123	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"286121"	337.237276	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"679636"	505.352276	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1354162"	169.122276	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H"	1.007276
"127050"	169.122276	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"565701"	253.179776	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1037082"	85.064776	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"204411"	113.083942666667	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"644234"	169.122276	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1162975"	57.0456093333333	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"437040"	354.263823	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"799128"	522.378823	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1689993"	186.148823	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"339364"	177.6355495	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"732880"	261.6930495	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1485607"	93.5780495	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"401003"	359.219218	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"763092"	527.334218	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1614472"	191.104218	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"323415"	180.113247	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"714743"	264.170747	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1470751"	96.055747	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1058531"	64.3729233333333	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1262399"	201.148486	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"382067"	375.193158	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"741969"	543.308158	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1541104"	207.078158	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+K"	38.963158
"300467"	188.100217	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"691701"	272.157717	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1446223"	104.042717	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"236525"	378.263826	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1210447"	210.148826	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1195062"	105.578051	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"189151"	381.20116	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"632724"	549.31616	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1143159"	213.08616	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"184263"	191.104218	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"627468"	275.161718	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1131321"	107.046718	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1414169"	71.7002373333333	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1445124"	215.127746	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"234490"	196.13724	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1523967"	229.17979	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"423981"	199.091188	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"783596"	283.148688	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1679928"	115.033688	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"260618"	400.245768	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1235518"	232.130768	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1717476"	232.154293	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1183923"	79.0275513333333	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1656369"	237.109688	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"163229"	413.14904	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"598410"	581.26404	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1085840"	245.03404	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"143386"	207.078158	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"583674"	291.135658	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1069035"	123.020658	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1101151"	247.048592	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1336319"	247.136207	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1006798"	251.175376	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1524339"	252.169008	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"994169"	126.091326	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1594144"	253.083628	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1423085"	283.115138	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1157749"	146.604601	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1704022"	300.141685	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1637485"	305.09708	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1578604"	321.07102	"C19731"	"(3S)-3-Hydroxycyclocitral"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"816633"	442.3811	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M"	0
"983599"	423.36271	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-H2O-H"	-19.01839
"75123"	293.913457333333	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M-3H"	-3.021828
"514683"	441.373824	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M-3H"	-3.021828
"894316"	146.453090666667	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-3H"	-3.021828
"13983"	441.373824	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M-2H"	-2.014552
"453787"	662.564374	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M-2H"	-2.014552
"831107"	220.183274	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-2H"	-2.014552
"93533"	883.754924	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M-H"	-1.007276
"534068"	1326.136024	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M-H"	-1.007276
"909922"	441.373824	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-H"	-1.007276
"57974"	900.781471	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M-2H+NH4"	16.019271
"499358"	1343.162571	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M-2H+NH4"	16.019271
"876308"	458.400371	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-2H+NH4"	16.019271
"43239"	905.736866	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M-2H+Na"	20.974666
"479518"	1348.117966	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M-2H+Na"	20.974666
"856227"	463.355766	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-2H+Na"	20.974666
"1626850"	463.355766	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Na-2H"	20.974666
"99006"	459.362163	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M-H+Cl"	33.962126
"541848"	680.552713	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M-H+Cl"	33.962126
"933176"	238.171613	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-H+Cl"	33.962126
"275013"	919.731602	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+Cl"	34.969402
"666342"	1362.112702	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+Cl"	34.969402
"1284213"	477.350502	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Cl"	34.969402
"28958"	921.710806	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M-2H+K"	36.948606
"466333"	1364.091906	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M-2H+K"	36.948606
"838667"	479.329706	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-2H+K"	36.948606
"1563247"	479.329706	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+K-2H"	36.948606
"948943"	487.379294	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-H+HCOOH"	44.998194
"371533"	929.760401	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+HCOOH-H"	44.998201
"354326"	943.776051	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+Hac-H"	59.013851
"1502062"	501.394951	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Hac-H"	59.013851
"959401"	509.361251	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-H+NaCOOH"	66.980151
"114142"	477.350502	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+2Cl"	69.938804
"551516"	698.541052	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+2Cl"	69.938804
"1030156"	256.159952	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2Cl"	69.938804
"1244268"	521.299985	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Br"	78.918885
"1314369"	523.355972	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Cl+HCOOH"	80.974872
"1325305"	545.337929	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Cl+NaCOOH"	102.956829
"922925"	555.366686	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M-H+CF3COOH"	112.985586
"1300727"	591.343364	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Cl+CF3COOH"	148.962264
"1369410"	407.368424	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H-2H2O"	-35.012676
"1393106"	425.3784	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H-H2O"	-17.0027
"285138"	885.769476	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+H"	1.007276
"679746"	1328.150576	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+H"	1.007276
"1356095"	443.388376	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H"	1.007276
"127160"	443.388376	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+2H"	2.014552
"567813"	664.578926	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+2H"	2.014552
"1038801"	222.197826	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2H"	2.014552
"205606"	295.928009333333	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+3H"	3.021828
"646993"	443.388376	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+3H"	3.021828
"1164388"	148.467642666667	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+3H"	3.021828
"439703"	902.796023	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+NH4"	18.033823
"799238"	1345.177123	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+NH4"	18.033823
"1696300"	460.414923	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+NH4"	18.033823
"339474"	451.9016495	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+H+NH4"	19.041099
"736270"	673.0921995	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+H+NH4"	19.041099
"1487902"	230.7110995	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H+NH4"	19.041099
"397833"	907.751418	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+Na"	22.989218
"759921"	1350.132518	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+Na"	22.989218
"1613489"	465.370318	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Na"	22.989218
"327536"	454.379347	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+H+Na"	23.996494
"721420"	675.569897	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+H+Na"	23.996494
"1475965"	233.188797	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H+Na"	23.996494
"1063015"	155.794956666667	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2H+Na"	25.00377
"1266883"	475.414586	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+CH3OH+H"	33.033486
"385458"	923.725358	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+K"	38.963158
"744266"	1366.106458	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+K"	38.963158
"1547412"	481.344258	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+K"	38.963158
"305683"	462.366317	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+H+K"	39.970434
"695914"	683.556867	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+H+K"	39.970434
"1446333"	241.175767	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H+K"	39.970434
"236515"	926.796026	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+ACN+H"	42.033826
"1211777"	484.414926	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+ACN+H"	42.033826
"1200400"	242.711101	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+ACN+2H"	43.041102
"193272"	929.73336	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+2Na-H"	44.97116
"636115"	1372.11446	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+2Na-H"	44.97116
"1139620"	487.35226	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2Na-H"	44.97116
"187659"	465.370318	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+2Na"	45.978436
"627460"	686.560868	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+2Na"	45.978436
"1130850"	244.179768	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2Na"	45.978436
"1414009"	163.122270666667	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H+2Na"	46.985712
"1443815"	489.393846	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H+HCOOH"	47.012746
"233145"	470.40334	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+3H2O+2H"	56.04448
"1522301"	503.44589	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+IsoProp+H"	61.06479
"421990"	473.357288	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+Na+K"	61.952376
"783349"	694.547838	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+Na+K"	61.952376
"1677489"	252.166738	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Na+K"	61.952376
"257447"	948.777968	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+ACN+Na"	64.015768
"1230520"	506.396868	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+ACN+Na"	64.015768
"1717950"	506.420393	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+NH4+HCOOH"	64.039293
"1180751"	170.449584666667	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+3Na"	68.967654
"1655385"	511.375788	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Na+HCOOH"	68.994688
"163340"	961.68124	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+2K-H"	76.91904
"603629"	1404.06234	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+2K-H"	76.91904
"1087412"	519.30014	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2K-H"	76.91904
"142159"	481.344258	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"2M+2K"	77.926316
"587067"	702.534808	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"3M+2K"	77.926316
"1069998"	260.153708	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2K"	77.926316
"1101140"	521.314692	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2K+H"	78.933592
"1337162"	521.402307	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+DMSO+H"	79.021207
"1007031"	525.441476	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2ACN+H"	83.060376
"1528923"	526.435108	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+IsoProp+Na+H"	84.054008
"995372"	263.224376	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+2ACN+2H"	84.067652
"1598263"	527.349728	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+K+HCOOH"	84.968628
"1428659"	557.381238	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+H+CF3COOH"	115.000138
"1152386"	283.737651	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+3ACN+2H"	125.094202
"1706319"	574.407785	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+NH4+CF3COOH"	132.026685
"1637595"	579.36318	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+Na+CF3COOH"	136.98208
"1578714"	595.33712	"C19732"	"24-Hydroxy-beta-amyrin;Olean-12-ene-3beta24-diol"	"C30H50O2"	"442.3811"	"M+K+CF3COOH"	152.95602
"811269"	442.3811	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M"	0
"978243"	423.36271	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-H2O-H"	-19.01839
"71953"	293.913457333333	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M-3H"	-3.021828
"513700"	441.373824	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M-3H"	-3.021828
"891513"	146.453090666667	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-3H"	-3.021828
"13730"	441.373824	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M-2H"	-2.014552
"454506"	662.564374	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M-2H"	-2.014552
"832440"	220.183274	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-2H"	-2.014552
"94091"	883.754924	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M-H"	-1.007276
"534233"	1326.136024	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M-H"	-1.007276
"910036"	441.373824	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-H"	-1.007276
"59423"	900.781471	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M-2H+NH4"	16.019271
"498738"	1343.162571	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M-2H+NH4"	16.019271
"877028"	458.400371	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-2H+NH4"	16.019271
"44078"	905.736866	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M-2H+Na"	20.974666
"479628"	1348.117966	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M-2H+Na"	20.974666
"857430"	463.355766	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-2H+Na"	20.974666
"1629147"	463.355766	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Na-2H"	20.974666
"100207"	459.362163	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M-H+Cl"	33.962126
"539769"	680.552713	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M-H+Cl"	33.962126
"936566"	238.171613	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-H+Cl"	33.962126
"275123"	919.731602	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+Cl"	34.969402
"664265"	1362.112702	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+Cl"	34.969402
"1277762"	477.350502	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Cl"	34.969402
"23600"	921.710806	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M-2H+K"	36.948606
"466443"	1364.091906	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M-2H+K"	36.948606
"842057"	479.329706	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-2H+K"	36.948606
"1565544"	479.329706	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+K-2H"	36.948606
"946867"	487.379294	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-H+HCOOH"	44.998194
"370549"	929.760401	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+HCOOH-H"	44.998201
"354437"	943.776051	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+Hac-H"	59.013851
"1501080"	501.394951	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Hac-H"	59.013851
"962063"	509.361251	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-H+NaCOOH"	66.980151
"118626"	477.350502	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+2Cl"	69.938804
"558186"	698.541052	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+2Cl"	69.938804
"1030266"	256.159952	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2Cl"	69.938804
"1244378"	521.299985	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Br"	78.918885
"1314479"	523.355972	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Cl+HCOOH"	80.974872
"1324322"	545.337929	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Cl+NaCOOH"	102.956829
"923035"	555.366686	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M-H+CF3COOH"	112.985586
"1297557"	591.343364	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Cl+CF3COOH"	148.962264
"1370248"	407.368424	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H-2H2O"	-35.012676
"1393216"	425.3784	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H-H2O"	-17.0027
"285612"	885.769476	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+H"	1.007276
"678763"	1328.150576	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+H"	1.007276
"1354747"	443.388376	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H"	1.007276
"129457"	443.388376	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+2H"	2.014552
"571205"	664.578926	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+2H"	2.014552
"1040368"	222.197826	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2H"	2.014552
"207538"	295.928009333333	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+3H"	3.021828
"646009"	443.388376	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+3H"	3.021828
"1164135"	148.467642666667	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+3H"	3.021828
"436895"	902.796023	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+NH4"	18.033823
"797159"	1345.177123	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+NH4"	18.033823
"1692400"	460.414923	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+NH4"	18.033823
"344688"	451.9016495	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+H+NH4"	19.041099
"729819"	673.0921995	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+H+NH4"	19.041099
"1486919"	230.7110995	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H+NH4"	19.041099
"397944"	907.751418	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+Na"	22.989218
"763311"	1350.132518	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+Na"	22.989218
"1609223"	465.370318	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Na"	22.989218
"322543"	454.379347	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+H+Na"	23.996494
"718246"	675.569897	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+H+Na"	23.996494
"1474253"	233.188797	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H+Na"	23.996494
"1066405"	155.794956666667	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2H+Na"	25.00377
"1266993"	475.414586	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+CH3OH+H"	33.033486
"385568"	923.725358	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+K"	38.963158
"744376"	1366.106458	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+K"	38.963158
"1547522"	481.344258	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+K"	38.963158
"306887"	462.366317	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+H+K"	39.970434
"697118"	683.556867	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+H+K"	39.970434
"1447173"	241.175767	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H+K"	39.970434
"238450"	926.796026	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+ACN+H"	42.033826
"1215534"	484.414926	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+ACN+H"	42.033826
"1204522"	242.711101	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+ACN+2H"	43.041102
"195571"	929.73336	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+2Na-H"	44.97116
"642424"	1372.11446	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+2Na-H"	44.97116
"1145201"	487.35226	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2Na-H"	44.97116
"186669"	465.370318	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+2Na"	45.978436
"627697"	686.560868	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+2Na"	45.978436
"1130718"	244.179768	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2Na"	45.978436
"1413150"	163.122270666667	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H+2Na"	46.985712
"1442833"	489.393846	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H+HCOOH"	47.012746
"231069"	470.40334	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+3H2O+2H"	56.04448
"1523385"	503.44589	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+IsoProp+H"	61.06479
"423559"	473.357288	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+Na+K"	61.952376
"785282"	694.547838	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+Na+K"	61.952376
"1678695"	252.166738	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Na+K"	61.952376
"259380"	948.777968	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+ACN+Na"	64.015768
"1230995"	506.396868	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+ACN+Na"	64.015768
"1718060"	506.420393	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+NH4+HCOOH"	64.039293
"1181956"	170.449584666667	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+3Na"	68.967654
"1655496"	511.375788	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Na+HCOOH"	68.994688
"163449"	961.68124	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+2K-H"	76.91904
"600823"	1404.06234	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+2K-H"	76.91904
"1084970"	519.30014	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2K-H"	76.91904
"147619"	481.344258	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"2M+2K"	77.926316
"588272"	702.534808	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"3M+2K"	77.926316
"1071691"	260.153708	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2K"	77.926316
"1102711"	521.314692	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2K+H"	78.933592
"1336664"	521.402307	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+DMSO+H"	79.021207
"1006530"	525.441476	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2ACN+H"	83.060376
"1525021"	526.435108	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+IsoProp+Na+H"	84.054008
"993296"	263.224376	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+2ACN+2H"	84.067652
"1592174"	527.349728	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+K+HCOOH"	84.968628
"1422208"	557.381238	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+H+CF3COOH"	115.000138
"1152496"	283.737651	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+3ACN+2H"	125.094202
"1706429"	574.407785	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+NH4+CF3COOH"	132.026685
"1637705"	579.36318	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+Na+CF3COOH"	136.98208
"1578824"	595.33712	"C19733"	"Sophoradiol;Olean-12-ene-3beta22beta-diol"	"C30H50O2"	"442.3811"	"M+K+CF3COOH"	152.95602
"815755"	204.1878	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M"	0
"988560"	185.16941	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"75347"	135.117924	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"514908"	203.180524	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892719"	67.055324	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14576"	203.180524	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454989"	305.274424	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"829751"	101.086624	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"88650"	407.368324	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533072"	611.556124	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909286"	203.180524	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61232"	424.394871	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502269"	628.582671	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"879087"	220.207071	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"46012"	429.350266	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"484841"	633.538066	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856446"	225.162466	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1628167"	225.162466	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99226"	221.168863	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536965"	323.262763	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931208"	119.074963	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"271588"	443.345002	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"666566"	647.532802	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1283343"	239.157202	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"26994"	445.324206	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464369"	649.512006	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838891"	241.136406	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562379"	241.136406	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"950262"	249.185994	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372855"	453.373801	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357832"	467.389451	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504477"	263.201651	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"969833"	271.167951	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"119833"	239.157202	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"561581"	341.251102	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036579"	137.063302	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253241"	283.106685	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317876"	285.162672	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334852"	307.144629	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925340"	317.173386	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302053"	353.150064	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376925"	169.175124	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394421"	187.1851	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"294109"	409.382876	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684342"	613.570676	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1361785"	205.195076	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H"	1.007276
"127381"	205.195076	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"567672"	307.288976	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039387"	103.101176	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206192"	137.132476	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651593"	205.195076	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1171909"	69.069876	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435182"	426.409423	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"801356"	630.597223	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1696995"	222.221623	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345334"	213.7083495	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"738238"	315.8022495	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492544"	111.6144495	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"403523"	431.364818	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"763425"	635.552618	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1612618"	227.177018	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320467"	216.186047	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"720545"	318.279947	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1475096"	114.092147	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1067940"	76.39719	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268197"	237.221286	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383492"	447.338758	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"741207"	651.526558	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1543259"	243.150958	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+K"	38.963158
"301529"	224.173017	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"693221"	326.266917	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447769"	122.079117	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246951"	450.409426	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225544"	246.221626	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209874"	123.614451	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"204078"	453.34676	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643796"	657.53456	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146768"	249.15896	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187524"	227.177018	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627447"	329.270918	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130223"	125.083118	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412650"	83.724504	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1442578"	251.200546	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234094"	232.21004	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1523617"	265.25259	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"421842"	235.163988	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"781376"	337.257888	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678802"	133.070088	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"259854"	472.391368	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1231105"	268.203568	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1726194"	268.227093	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1188629"	91.051818	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661442"	273.182488	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167937"	485.29464	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"606402"	689.48244	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095652"	281.10684	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145542"	243.150958	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582915"	345.244858	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1072892"	141.057058	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111572"	283.121392	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1339208"	283.209007	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1014301"	287.248176	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1537901"	288.241808	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004592"	144.127726	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1599941"	289.156428	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427789"	319.187938	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1161360"	164.641001	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1705446"	336.214485	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637815"	341.16988	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575654"	357.14382	"C19734"	"(-)-alpha-Gurjunene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"809302"	204.1878	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M"	0
"982837"	185.16941	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"72173"	135.117924	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"506266"	203.180524	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892821"	67.055324	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13585"	203.180524	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454237"	305.274424	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"832681"	101.086624	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"93944"	407.368324	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"534181"	611.556124	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"911227"	203.180524	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62791"	424.394871	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502489"	628.582671	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878948"	220.207071	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"43568"	429.350266	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"475474"	633.538066	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"860929"	225.162466	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1631922"	225.162466	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99334"	221.168863	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536711"	323.262763	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930952"	119.074963	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269875"	443.345002	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"660965"	647.532802	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1276893"	239.157202	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"20543"	445.324206	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"460104"	649.512006	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"833895"	241.136406	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1559208"	241.136406	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"950372"	249.185994	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372965"	453.373801	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"358672"	467.389451	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504588"	263.201651	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972130"	271.167951	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"122130"	239.157202	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562784"	341.251102	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036689"	137.063302	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253351"	283.106685	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317986"	285.162672	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334516"	307.144629	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925814"	317.173386	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1301797"	353.150064	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1378128"	169.175124	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1395624"	187.1851	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"295312"	409.382876	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684452"	613.570676	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1359708"	205.195076	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128949"	205.195076	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"569607"	307.288976	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1042418"	103.101176	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"207765"	137.132476	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"650973"	205.195076	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1169097"	69.069876	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436385"	426.409423	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"801031"	630.597223	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1696798"	222.221623	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345440"	213.7083495	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"734415"	315.8022495	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1491881"	111.6144495	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"406550"	431.364818	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"767910"	635.552618	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1614915"	227.177018	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"324953"	216.186047	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"721384"	318.279947	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1473382"	114.092147	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1067360"	76.39719	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1265030"	237.221286	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383603"	447.338758	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"743505"	651.526558	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1545558"	243.150958	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K"	38.963158
"301640"	224.173017	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692969"	326.266917	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1453350"	122.079117	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"247425"	450.409426	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225416"	246.221626	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209826"	123.614451	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"204072"	453.34676	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"644095"	657.53456	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146045"	249.15896	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"186787"	227.177018	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627316"	329.270918	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130577"	125.083118	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413251"	83.724504	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1444144"	251.200546	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"232382"	232.21004	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522630"	265.25259	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"421585"	235.163988	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"781486"	337.257888	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1679882"	133.070088	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"256683"	472.391368	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1231945"	268.203568	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1723021"	268.227093	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1185823"	91.051818	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659726"	273.182488	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166586"	485.29464	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603231"	689.48244	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1093210"	281.10684	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151119"	243.150958	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"590315"	345.244858	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1069845"	141.057058	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1100986"	283.121392	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1340412"	283.209007	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1008940"	287.248176	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1528161"	288.241808	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"991692"	144.127726	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1597863"	289.156428	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425709"	319.187938	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1159280"	164.641001	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1706649"	336.214485	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637925"	341.16988	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575764"	357.14382	"C19735"	"(-)-endo-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"809412"	204.1878	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M"	0
"985134"	185.16941	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"72283"	135.117924	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"506376"	203.180524	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"893660"	67.055324	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13701"	203.180524	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"455161"	305.274424	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"830696"	101.086624	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92511"	407.368324	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532561"	611.556124	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"910120"	203.180524	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61456"	424.394871	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502693"	628.582671	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878698"	220.207071	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"42950"	429.350266	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"483604"	633.538066	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861407"	225.162466	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1631669"	225.162466	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99444"	221.168863	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536822"	323.262763	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929970"	119.074963	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"273268"	443.345002	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"660832"	647.532802	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1277003"	239.157202	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"16884"	445.324206	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459121"	649.512006	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"833641"	241.136406	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1564785"	241.136406	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953762"	249.185994	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"376357"	453.373801	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"361259"	467.389451	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507251"	263.201651	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972605"	271.167951	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"121876"	239.157202	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"564233"	341.251102	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036072"	137.063302	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254920"	283.106685	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318826"	285.162672	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332313"	307.144629	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924464"	317.173386	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1297890"	353.150064	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1377145"	169.175124	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1389174"	187.1851	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"295422"	409.382876	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684562"	613.570676	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1358725"	205.195076	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H"	1.007276
"127967"	205.195076	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571174"	307.288976	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039607"	103.101176	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206779"	137.132476	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"647434"	205.195076	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1168478"	69.069876	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"434306"	426.409423	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"800659"	630.597223	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695290"	222.221623	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343810"	213.7083495	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737079"	315.8022495	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1490167"	111.6144495	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"402650"	431.364818	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"762552"	635.552618	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1610650"	227.177018	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"326886"	216.186047	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"710922"	318.279947	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1466931"	114.092147	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1068243"	76.39719	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268054"	237.221286	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"391003"	447.338758	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"744708"	651.526558	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1544574"	243.150958	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+K"	38.963158
"305028"	224.173017	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"695263"	326.266917	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1451274"	122.079117	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246438"	450.409426	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1220241"	246.221626	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1203032"	123.614451	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203321"	453.34676	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"642641"	657.53456	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1145902"	249.15896	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187495"	227.177018	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626934"	329.270918	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129952"	125.083118	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412263"	83.724504	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1442435"	251.200546	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"232858"	232.21004	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1521286"	265.25259	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"422430"	235.163988	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"782330"	337.257888	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678296"	133.070088	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"258979"	472.391368	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1233876"	268.203568	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1721307"	268.227093	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187756"	91.051818	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659836"	273.182488	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"160497"	485.29464	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"602247"	689.48244	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1092227"	281.10684	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"147949"	243.150958	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"583135"	345.244858	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1070198"	141.057058	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1100366"	283.121392	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1338335"	283.209007	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1009050"	287.248176	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1526082"	288.241808	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"991802"	144.127726	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1597973"	289.156428	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425819"	319.187938	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1161213"	164.641001	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1707853"	336.214485	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638035"	341.16988	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575874"	357.14382	"C19736"	"()-alpha-Santalene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"812802"	204.1878	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M"	0
"983057"	185.16941	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"69114"	135.117924	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"509766"	203.180524	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"894743"	67.055324	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14415"	203.180524	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454948"	305.274424	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"831173"	101.086624	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"93837"	407.368324	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532791"	611.556124	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"910716"	203.180524	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61809"	424.394871	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"500762"	628.582671	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878807"	220.207071	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44519"	429.350266	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485053"	633.538066	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861882"	225.162466	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1632388"	225.162466	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101741"	221.168863	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"542398"	323.262763	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929716"	119.074963	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"273378"	443.345002	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670175"	647.532802	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280393"	239.157202	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"20763"	445.324206	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"458138"	649.512006	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"835940"	241.136406	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562708"	241.136406	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947311"	249.185994	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372821"	453.373801	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360716"	467.389451	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506997"	263.201651	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"971985"	271.167951	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"121986"	239.157202	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"563003"	341.251102	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1035453"	137.063302	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254666"	283.106685	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317113"	285.162672	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331330"	307.144629	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924574"	317.173386	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1303346"	353.150064	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1378348"	169.175124	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1389284"	187.1851	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297719"	409.382876	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684672"	613.570676	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1359928"	205.195076	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H"	1.007276
"129535"	205.195076	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573471"	307.288976	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041174"	103.101176	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"207982"	137.132476	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"650095"	205.195076	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1167130"	69.069876	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435509"	426.409423	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799917"	630.597223	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695399"	222.221623	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343674"	213.7083495	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"735366"	315.8022495	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1489548"	111.6144495	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"402395"	431.364818	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"761568"	635.552618	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611855"	227.177018	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"325902"	216.186047	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"712125"	318.279947	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1469227"	114.092147	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1065030"	76.39719	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1266340"	237.221286	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"380542"	447.338758	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"745911"	651.526558	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1542495"	243.150958	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300766"	224.173017	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"695370"	326.266917	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447369"	122.079117	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"241077"	450.409426	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1215978"	246.221626	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1205328"	123.614451	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202579"	453.34676	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643236"	657.53456	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146139"	249.15896	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"186265"	227.177018	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627528"	329.270918	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129697"	125.083118	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412250"	83.724504	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443879"	251.200546	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"233939"	232.21004	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522852"	265.25259	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"422538"	235.163988	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"781711"	337.257888	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678405"	133.070088	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"259089"	472.391368	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1237265"	268.203568	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720685"	268.227093	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1188595"	91.051818	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659216"	273.182488	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"159512"	485.29464	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601261"	689.48244	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1093430"	281.10684	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"144778"	243.150958	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"584338"	345.244858	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1070307"	141.057058	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1100474"	283.121392	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337715"	283.209007	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1009160"	287.248176	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1524976"	288.241808	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"991182"	144.127726	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598083"	289.156428	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425929"	319.187938	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1162058"	164.641001	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1705776"	336.214485	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638145"	341.16988	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1575984"	357.14382	"C19737"	"()-endo-beta-Bergamotene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"812912"	204.1878	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M"	0
"979886"	185.16941	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"69223"	135.117924	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"506596"	203.180524	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"887676"	67.055324	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"13917"	203.180524	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"455057"	305.274424	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"831648"	101.086624	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92243"	407.368324	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533143"	611.556124	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"910463"	203.180524	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"60458"	424.394871	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502333"	628.582671	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"879158"	220.207071	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"45964"	429.350266	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"486258"	633.538066	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"860898"	225.162466	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1633222"	225.162466	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101851"	221.168863	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"541416"	323.262763	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929827"	119.074963	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"274581"	443.345002	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"669192"	647.532802	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280503"	239.157202	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"20873"	445.324206	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"461528"	649.512006	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"836050"	241.136406	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562818"	241.136406	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"948514"	249.185994	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374390"	453.373801	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359368"	467.389451	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1508340"	263.201651	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972095"	271.167951	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"124284"	239.157202	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562749"	341.251102	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1033009"	137.063302	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1255504"	283.106685	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317954"	285.162672	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332532"	307.144629	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"926144"	317.173386	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1303577"	353.150064	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1377365"	169.175124	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1389394"	187.1851	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297829"	409.382876	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"689157"	613.570676	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356758"	205.195076	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"131834"	205.195076	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570301"	307.288976	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039829"	103.101176	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"215752"	137.132476	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"647291"	205.195076	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1169064"	69.069876	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435619"	426.409423	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"797710"	630.597223	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695144"	222.221623	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"341228"	213.7083495	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"735475"	315.8022495	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1484188"	111.6144495	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"397403"	431.364818	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"762773"	635.552618	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609777"	227.177018	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"324189"	216.186047	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"715515"	318.279947	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1472617"	114.092147	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1065869"	76.39719	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1267182"	237.221286	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"388309"	447.338758	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"746022"	651.526558	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1545887"	243.150958	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"305250"	224.173017	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"695488"	326.266917	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1452587"	122.079117	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"243376"	450.409426	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1221556"	246.221626	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1206531"	123.614451	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202446"	453.34676	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643349"	657.53456	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1145035"	249.15896	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"185410"	227.177018	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626911"	329.270918	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130050"	125.083118	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1411267"	83.724504	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443383"	251.200546	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234417"	232.21004	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1523086"	265.25259	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"421918"	235.163988	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"782185"	337.257888	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1677423"	133.070088	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260291"	472.391368	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1236284"	268.203568	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1723712"	268.227093	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1186149"	91.051818	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659327"	273.182488	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161812"	485.29464	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"604652"	689.48244	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1090259"	281.10684	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"143795"	243.150958	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582262"	345.244858	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1070415"	141.057058	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1100219"	283.121392	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1335874"	283.209007	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1005903"	287.248176	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1524475"	288.241808	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"990320"	144.127726	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1589444"	289.156428	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1414371"	319.187938	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1149037"	164.641001	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1705886"	336.214485	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638255"	341.16988	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1576094"	357.14382	"C19738"	"(-)-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"813022"	316.0583	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M"	0
"977809"	297.03991	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H2O-H"	-19.01839
"66053"	209.698257333333	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-3H"	-3.021828
"503424"	315.051024	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-3H"	-3.021828
"882320"	104.345490666667	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-3H"	-3.021828
"8548"	315.051024	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H"	-2.014552
"455635"	473.080174	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H"	-2.014552
"831999"	157.021874	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H"	-2.014552
"92233"	631.109324	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-H"	-1.007276
"531914"	947.167624	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-H"	-1.007276
"909843"	315.051024	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H"	-1.007276
"62394"	648.135871	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+NH4"	16.019271
"502570"	964.194171	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+NH4"	16.019271
"879729"	332.077571	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+NH4"	16.019271
"46935"	653.091266	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+Na"	20.974666
"485881"	969.149566	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+Na"	20.974666
"861737"	337.032966	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+Na"	20.974666
"1633699"	337.032966	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na-2H"	20.974666
"101961"	333.039363	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-H+Cl"	33.962126
"543712"	491.068513	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-H+Cl"	33.962126
"930665"	175.010213	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+Cl"	33.962126
"275784"	667.086002	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Cl"	34.969402
"670395"	983.144302	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+Cl"	34.969402
"1281709"	351.027702	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl"	34.969402
"20983"	669.065206	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M-2H+K"	36.948606
"461638"	985.123506	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M-2H+K"	36.948606
"836160"	353.006906	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-2H+K"	36.948606
"1562928"	353.006906	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K-2H"	36.948606
"947531"	361.056494	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+HCOOH"	44.998194
"375837"	677.114801	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+HCOOH-H"	44.998201
"360450"	691.130451	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Hac-H"	59.013851
"1508370"	375.072151	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Hac-H"	59.013851
"972205"	383.038451	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+NaCOOH"	66.980151
"125675"	351.027702	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Cl"	69.938804
"563223"	509.056852	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Cl"	69.938804
"1035913"	192.998552	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2Cl"	69.938804
"1256343"	394.977185	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Br"	78.918885
"1316972"	397.033172	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+HCOOH"	80.974872
"1332643"	419.015129	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+NaCOOH"	102.956829
"923339"	429.043886	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M-H+CF3COOH"	112.985586
"1300407"	465.020564	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Cl+CF3COOH"	148.962264
"1381974"	281.045624	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H-2H2O"	-35.012676
"1394972"	299.0556	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H-H2O"	-17.0027
"296848"	633.123876	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H"	1.007276
"687081"	949.182176	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H"	1.007276
"1363431"	317.065576	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H"	1.007276
"133039"	317.065576	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2H"	2.014552
"574787"	475.094726	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2H"	2.014552
"1049055"	159.036426	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2H"	2.014552
"215862"	211.712809333333	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H"	3.021828
"650682"	317.065576	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+3H"	3.021828
"1174644"	106.360042666667	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+3H"	3.021828
"435729"	650.150423	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+NH4"	18.033823
"797820"	966.208723	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+NH4"	18.033823
"1696588"	334.092123	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4"	18.033823
"339152"	325.5788495	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+NH4"	19.041099
"738139"	483.6079995	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+NH4"	19.041099
"1484298"	167.5496995	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+NH4"	19.041099
"397513"	655.105818	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na"	22.989218
"762883"	971.164118	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na"	22.989218
"1610980"	339.047518	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na"	22.989218
"324299"	328.056547	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+Na"	23.996494
"715625"	486.085697	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+Na"	23.996494
"1472728"	170.027397	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+Na"	23.996494
"1066343"	113.687356666667	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2H+Na"	25.00377
"1261097"	349.091786	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+CH3OH+H"	33.033486
"386962"	671.079758	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+K"	38.963158
"747227"	987.138058	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+K"	38.963158
"1551466"	355.021458	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K"	38.963158
"303172"	336.043517	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+H+K"	39.970434
"696691"	494.072667	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+H+K"	39.970434
"1453792"	178.014367	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+K"	39.970434
"244581"	674.150426	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+H"	42.033826
"1218384"	358.092126	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+H"	42.033826
"1208589"	179.549701	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+2H"	43.041102
"203654"	677.08776	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na-H"	44.97116
"643339"	993.14606	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na-H"	44.97116
"1144659"	361.02946	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na-H"	44.97116
"186976"	339.047518	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2Na"	45.978436
"627021"	497.076668	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2Na"	45.978436
"1129796"	181.018368	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2Na"	45.978436
"1411739"	121.014670666667	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+2Na"	46.985712
"1441302"	363.071046	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+HCOOH"	47.012746
"234400"	344.08054	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+3H2O+2H"	56.04448
"1523192"	377.12309	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+H"	61.06479
"418744"	347.034488	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+Na+K"	61.952376
"776460"	505.063638	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+Na+K"	61.952376
"1678260"	189.005338	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+K"	61.952376
"261495"	696.132368	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+ACN+Na"	64.015768
"1234203"	380.074068	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+ACN+Na"	64.015768
"1725280"	380.097593	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+HCOOH"	64.039293
"1190270"	128.341984666667	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+3Na"	68.967654
"1661988"	385.052988	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+HCOOH"	68.994688
"164109"	709.03564	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K-H"	76.91904
"604762"	1025.09394	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K-H"	76.91904
"1090369"	392.97734	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2K-H"	76.91904
"142932"	355.021458	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"2M+2K"	77.926316
"585652"	513.050608	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"3M+2K"	77.926316
"1070161"	196.992308	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2K"	77.926316
"1100571"	394.991892	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2K+H"	78.933592
"1335863"	395.079507	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+DMSO+H"	79.021207
"1006702"	399.118676	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+H"	83.060376
"1525193"	400.112308	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+IsoProp+Na+H"	84.054008
"990669"	200.062976	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+2ACN+2H"	84.067652
"1589554"	401.026928	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K+HCOOH"	84.968628
"1416307"	431.058438	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+H+CF3COOH"	115.000138
"1149147"	220.576251	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+3ACN+2H"	125.094202
"1700528"	448.084985	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+NH4+CF3COOH"	132.026685
"1635085"	453.04038	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+Na+CF3COOH"	136.98208
"1579484"	469.01432	"C19739"	"3-O-Methyltricetin;Selagin;Tricetin 3-methyl ether"	"C16H12O7"	"316.0583"	"M+K+CF3COOH"	152.95602
"813132"	204.1878	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M"	0
"980106"	185.16941	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"69443"	135.117924	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"504990"	203.180524	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"884617"	67.055324	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6471"	203.180524	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"455555"	305.274424	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"831500"	101.086624	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92585"	407.368324	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"531052"	611.556124	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"910194"	203.180524	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62181"	424.394871	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502347"	628.582671	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878888"	220.207071	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"46713"	429.350266	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"486598"	633.538066	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861481"	225.162466	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1632107"	225.162466	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104265"	221.168863	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"542728"	323.262763	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931869"	119.074963	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"273707"	443.345002	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670504"	647.532802	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280723"	239.157202	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"18541"	445.324206	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"461748"	649.512006	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"836270"	241.136406	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1563038"	241.136406	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947641"	249.185994	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375947"	453.373801	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360074"	467.389451	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506841"	263.201651	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970492"	271.167951	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"122681"	239.157202	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"563333"	341.251102	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1035415"	137.063302	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254992"	283.106685	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318901"	285.162672	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1333843"	307.144629	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924177"	317.173386	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1304031"	353.150064	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1382559"	169.175124	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1396175"	187.1851	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297686"	409.382876	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"687191"	613.570676	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1365606"	205.195076	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H"	1.007276
"133149"	205.195076	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573803"	307.288976	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1045885"	103.101176	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"215972"	137.132476	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651159"	205.195076	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1174756"	69.069876	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"432558"	426.409423	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798659"	630.597223	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1696539"	222.221623	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"341448"	213.7083495	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"738171"	315.8022495	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1486595"	111.6144495	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"400902"	431.364818	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"764086"	635.552618	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611090"	227.177018	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"323316"	216.186047	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"717922"	318.279947	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1472110"	114.092147	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1066087"	76.39719	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1267767"	237.221286	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"389623"	447.338758	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"749523"	651.526558	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1551577"	243.150958	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+K"	38.963158
"307658"	224.173017	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"698987"	326.266917	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1457183"	122.079117	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246877"	450.409426	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1219587"	246.221626	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209307"	123.614451	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"204066"	453.34676	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643448"	657.53456	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1145255"	249.15896	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187811"	227.177018	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627374"	329.270918	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129785"	125.083118	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413677"	83.724504	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1445181"	251.200546	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"235478"	232.21004	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1524033"	265.25259	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"424123"	235.163988	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783132"	337.257888	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1676183"	133.070088	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"262699"	472.391368	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1237230"	268.203568	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1723204"	268.227093	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1188558"	91.051818	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1662462"	273.182488	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"169687"	485.29464	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"604872"	689.48244	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1090479"	281.10684	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145109"	243.150958	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"585762"	345.244858	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1070029"	141.057058	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1101414"	283.121392	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336586"	283.209007	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1006084"	287.248176	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1525182"	288.241808	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"991148"	144.127726	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1589299"	289.156428	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1416781"	319.187938	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156548"	164.641001	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1705010"	336.214485	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637381"	341.16988	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1579594"	357.14382	"C19740"	"()-alpha-Barbatene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"813242"	204.1878	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M"	0
"980216"	185.16941	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"69553"	135.117924	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"502822"	203.180524	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"884727"	67.055324	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6581"	203.180524	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452714"	305.274424	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"831610"	101.086624	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92695"	407.368324	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532255"	611.556124	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"906778"	203.180524	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62371"	424.394871	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502418"	628.582671	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878876"	220.207071	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44954"	429.350266	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"486831"	633.538066	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861590"	225.162466	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1625656"	225.162466	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"105468"	221.168863	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538464"	323.262763	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929792"	119.074963	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269442"	443.345002	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670614"	647.532802	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280831"	239.157202	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"20108"	445.324206	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"465136"	649.512006	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"836379"	241.136406	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1559868"	241.136406	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947751"	249.185994	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375450"	453.373801	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359941"	467.389451	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1508044"	263.201651	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"969145"	271.167951	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123520"	239.157202	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"560161"	341.251102	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036252"	137.063302	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254008"	283.106685	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1316457"	285.162672	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1330672"	307.144629	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925379"	317.173386	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1301720"	353.150064	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1382069"	169.175124	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1396285"	187.1851	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297068"	409.382876	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"687301"	613.570676	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1363650"	205.195076	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H"	1.007276
"130343"	205.195076	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"572819"	307.288976	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1045995"	103.101176	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"216082"	137.132476	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651269"	205.195076	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1177052"	69.069876	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"432668"	426.409423	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799862"	630.597223	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695107"	222.221623	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343016"	213.7083495	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737631"	315.8022495	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1487798"	111.6144495	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"401012"	431.364818	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"763832"	635.552618	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611200"	227.177018	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"323426"	216.186047	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"716939"	318.279947	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1472221"	114.092147	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1066197"	76.39719	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1267877"	237.221286	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"387545"	447.338758	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"747446"	651.526558	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1550594"	243.150958	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+K"	38.963158
"306675"	224.173017	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"695816"	326.266917	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1455106"	122.079117	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"245530"	450.409426	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1219694"	246.221626	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208810"	123.614451	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203627"	453.34676	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"644164"	657.53456	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146091"	249.15896	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187920"	227.177018	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627116"	329.270918	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130256"	125.083118	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413417"	83.724504	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1445485"	251.200546	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234131"	232.21004	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1523289"	265.25259	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"424152"	235.163988	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783242"	337.257888	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678480"	133.070088	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"262445"	472.391368	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1236611"	268.203568	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1724407"	268.227093	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187575"	91.051818	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1655281"	273.182488	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167610"	485.29464	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601702"	689.48244	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1092775"	281.10684	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145219"	243.150958	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582713"	345.244858	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1070384"	141.057058	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1101645"	283.121392	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336206"	283.209007	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1007778"	287.248176	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1525780"	288.241808	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"990893"	144.127726	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1589773"	289.156428	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417620"	319.187938	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1155565"	164.641001	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1704027"	336.214485	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637491"	341.16988	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1579704"	357.14382	"C19741"	"()-Cubenene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"812259"	204.1878	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M"	0
"980326"	185.16941	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"69663"	135.117924	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"503389"	203.180524	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"884837"	67.055324	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6691"	203.180524	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454891"	305.274424	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"830627"	101.086624	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92805"	407.368324	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"531272"	611.556124	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"906888"	203.180524	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61263"	424.394871	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502041"	628.582671	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876434"	220.207071	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"43241"	429.350266	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"486451"	633.538066	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"862430"	225.162466	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1624673"	225.162466	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"103392"	221.168863	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"541857"	323.262763	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929902"	119.074963	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268459"	443.345002	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"663070"	647.532802	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1276567"	239.157202	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"20217"	445.324206	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"467432"	649.512006	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"836486"	241.136406	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1563255"	241.136406	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"947861"	249.185994	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372278"	453.373801	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357984"	467.389451	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1505721"	263.201651	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"969616"	271.167951	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123630"	239.157202	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"555898"	341.251102	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1034539"	137.063302	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251931"	283.106685	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1316202"	285.162672	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1330782"	307.144629	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924028"	317.173386	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1297455"	353.150064	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376711"	169.175124	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1395302"	187.1851	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297178"	409.382876	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"688871"	613.570676	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1363760"	205.195076	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"133370"	205.195076	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"577306"	307.288976	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1046106"	103.101176	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"219110"	137.132476	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659320"	205.195076	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1174973"	69.069876	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438252"	426.409423	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799614"	630.597223	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695581"	222.221623	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"344954"	213.7083495	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737701"	315.8022495	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1491439"	111.6144495	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"404405"	431.364818	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"763211"	635.552618	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611310"	227.177018	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"323536"	216.186047	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"715955"	318.279947	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1472696"	114.092147	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1066307"	76.39719	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1269081"	237.221286	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"387655"	447.338758	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"745369"	651.526558	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1547423"	243.150958	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"307880"	224.173017	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"697019"	326.266917	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1453028"	122.079117	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246003"	450.409426	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1220170"	246.221626	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208678"	123.614451	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203494"	453.34676	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643060"	657.53456	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1145957"	249.15896	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"186209"	227.177018	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626863"	329.270918	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130005"	125.083118	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1410976"	83.724504	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443455"	251.200546	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230233"	232.21004	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1523035"	265.25259	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"423087"	235.163988	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"784448"	337.257888	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678227"	133.070088	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"258547"	472.391368	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1237092"	268.203568	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1724518"	268.227093	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190602"	91.051818	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659400"	273.182488	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"165899"	485.29464	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"605823"	689.48244	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1092157"	281.10684	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"146421"	243.150958	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"586711"	345.244858	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1069520"	141.057058	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1101514"	283.121392	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336561"	283.209007	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1005944"	287.248176	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1524796"	288.241808	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"990393"	144.127726	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1589884"	289.156428	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417001"	319.187938	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1155677"	164.641001	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1700855"	336.214485	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638692"	341.16988	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1571387"	357.14382	"C19742"	"()-delta-Selinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"810183"	222.1984	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M"	0
"983718"	203.18001	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"66493"	147.124990666667	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"503377"	221.191124	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"882761"	73.0588573333333	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"5710"	221.191124	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"454761"	332.290324	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"830011"	110.091924	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"92432"	443.389524	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"532724"	665.587924	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"909795"	221.191124	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"61013"	460.416071	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"501058"	682.614471	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"879102"	238.217671	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"44933"	465.371466	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"486807"	687.569866	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"860353"	243.173066	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1623690"	243.173066	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"95842"	239.179463	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"534468"	350.278663	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"927947"	128.080263	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"269663"	479.366202	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"660994"	701.564602	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1281052"	257.167802	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"19234"	481.345406	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"465355"	703.543806	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"836597"	259.147006	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1563365"	259.147006	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"952345"	267.196594	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"372022"	489.395001	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"359551"	503.410651	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1505467"	281.212251	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"970821"	289.178551	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"120824"	257.167802	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"562571"	368.267002	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1034652"	146.068602	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1246573"	301.117285	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1312303"	303.173272	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1330893"	325.155229	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"918672"	335.183986	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1295380"	371.160664	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1381932"	187.185724	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1393227"	205.1957	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"293643"	445.404076	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"682055"	667.602476	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1360593"	223.205676	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"131294"	223.205676	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"570856"	334.304876	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1046216"	112.106476	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"215940"	149.139542666667	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"654771"	223.205676	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1173990"	75.0734093333333	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"438486"	462.430623	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"799967"	684.629023	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1695328"	240.232223	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"344701"	231.7189495	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"737487"	342.8181495	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1489848"	120.6197495	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"405610"	467.386018	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"766604"	689.584418	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1612513"	245.187618	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"326561"	234.196647	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"716065"	345.295847	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1472077"	123.097447	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1066781"	82.4007233333333	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1271624"	255.231886	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"389954"	483.359958	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"749855"	705.558358	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1553730"	261.161558	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"307626"	242.183617	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"698222"	353.282817	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1454231"	131.084417	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"246113"	486.430626	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1219187"	264.232226	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1209160"	132.619751	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"203003"	489.36796	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"642078"	711.56636	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1144854"	267.16956	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"186322"	245.187618	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"626247"	356.286818	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1128660"	134.088418	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1412545"	89.7280373333333	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1444540"	269.211146	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"232165"	250.22064	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1523839"	283.26319	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"423809"	253.174588	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"784559"	364.273788	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1680158"	142.075388	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"262307"	508.412568	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1237566"	286.214168	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1723172"	286.237693	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1186339"	97.0553513333333	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1655502"	291.193088	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"164186"	521.31584	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"604110"	743.51424	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1090445"	299.11744	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"146533"	261.161558	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"586093"	372.260758	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1069751"	150.062358	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1101869"	301.131992	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1336064"	301.219607	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1009823"	305.258776	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1525397"	306.252408	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"997678"	153.133026	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1589994"	307.167028	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420030"	337.198538	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1161987"	173.646301	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1700965"	354.225085	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1640989"	359.18048	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1571580"	375.15442	"C19743"	"Drimenol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"812480"	222.1984	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M"	0
"983828"	203.18001	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"69883"	147.124990666667	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"504339"	221.191124	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"882869"	73.0588573333333	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"9101"	221.191124	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"455313"	332.290324	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"830974"	110.091924	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"92665"	443.389524	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"532473"	665.587924	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"909786"	221.191124	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"61731"	460.416071	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"501536"	682.614471	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"876656"	238.217671	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"43466"	465.371466	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"483027"	687.569866	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"858641"	243.173066	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1630361"	243.173066	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"98140"	239.179463	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"537702"	350.278663	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"930123"	128.080263	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"273054"	479.366202	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"670944"	701.564602	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1285539"	257.167802	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"28091"	481.345406	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"470210"	703.543806	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"845455"	259.147006	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1568948"	259.147006	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"955736"	267.196594	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"372862"	489.395001	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"359541"	503.410651	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1503389"	281.212251	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"969836"	289.178551	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"122028"	257.167802	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"559401"	368.267002	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1032576"	146.068602	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1248870"	301.117285	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1315694"	303.173272	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1331004"	325.155229	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"923156"	335.183986	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1300231"	371.160664	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1380582"	187.185724	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1395160"	205.1957	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"295941"	445.404076	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"682166"	667.602476	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1355234"	223.205676	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"137242"	223.205676	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"574247"	334.304876	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1046328"	112.106476	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"217509"	149.139542666667	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"658163"	223.205676	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1177753"	75.0734093333333	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"438475"	462.430623	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"800771"	684.629023	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1695440"	240.232223	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"344810"	231.7189495	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"737232"	342.8181495	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1490686"	120.6197495	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"407179"	467.386018	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"767809"	689.584418	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1615544"	245.187618	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"328129"	234.196647	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"719092"	345.295847	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1476195"	123.097447	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1067823"	82.4007233333333	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1270028"	255.231886	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"384597"	483.359958	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"746685"	705.558358	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1546552"	261.161558	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"313086"	242.183617	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"705262"	353.282817	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1460423"	131.084417	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"247684"	486.430626	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1224854"	264.232226	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1207937"	132.619751	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"202510"	489.36796	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"641828"	711.56636	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1143873"	267.16956	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"187530"	245.187618	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"626724"	356.286818	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1130231"	134.088418	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1412662"	89.7280373333333	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1444411"	269.211146	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"233743"	250.22064	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1521440"	283.26319	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"423798"	253.174588	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"784309"	364.273788	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1678451"	142.075388	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"263875"	508.412568	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1238406"	286.214168	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1720365"	286.237693	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1187542"	97.0553513333333	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1657436"	291.193088	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"165754"	521.31584	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"606773"	743.51424	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1098211"	299.11744	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"151382"	261.161558	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"591307"	372.260758	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1082017"	150.062358	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1113527"	301.131992	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1346508"	301.219607	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1015400"	305.258776	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1528059"	306.252408	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"994507"	153.133026	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1592291"	307.167028	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1419044"	337.198538	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1150428"	173.646301	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1701076"	354.225085	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1635632"	359.18048	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1573473"	375.15442	"C19744"	"()-Epicubenol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"810403"	662.0874	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M"	0
"977377"	643.06901	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H2O-H"	-19.01839
"66713"	440.384324	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-3H"	-3.021828
"502877"	661.080124	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-3H"	-3.021828
"880186"	219.688524	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-3H"	-3.021828
"4838"	661.080124	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H"	-2.014552
"454611"	992.123824	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H"	-2.014552
"832418"	330.036424	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H"	-2.014552
"93014"	1323.167524	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-H"	-1.007276
"531601"	1985.254924	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-H"	-1.007276
"911076"	661.080124	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H"	-1.007276
"62494"	1340.194071	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H+NH4"	16.019271
"502453"	2002.281471	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H+NH4"	16.019271
"876766"	678.106671	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H+NH4"	16.019271
"42482"	1345.149466	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H+Na"	20.974666
"484231"	2007.236866	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H+Na"	20.974666
"859844"	683.062066	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H+Na"	20.974666
"1631564"	683.062066	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na-2H"	20.974666
"97157"	679.068463	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-H+Cl"	33.962126
"536718"	1010.112163	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-H+Cl"	33.962126
"930597"	348.024763	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+Cl"	33.962126
"272071"	1359.144202	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Cl"	34.969402
"667775"	2021.231602	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+Cl"	34.969402
"1284554"	697.056802	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl"	34.969402
"21642"	1361.123406	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M-2H+K"	36.948606
"471252"	2023.210806	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M-2H+K"	36.948606
"844472"	699.036006	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-2H+K"	36.948606
"1570514"	699.036006	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K-2H"	36.948606
"955482"	707.085594	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+HCOOH"	44.998194
"372971"	1369.173001	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+HCOOH-H"	44.998201
"357946"	1383.188651	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Hac-H"	59.013851
"1503498"	721.101251	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Hac-H"	59.013851
"972134"	729.067551	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+NaCOOH"	66.980151
"122137"	697.056802	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2Cl"	69.938804
"563884"	1028.100502	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2Cl"	69.938804
"1035117"	366.013102	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2Cl"	69.938804
"1252260"	741.006285	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Br"	78.918885
"1314710"	743.062272	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl+HCOOH"	80.974872
"1330023"	765.044229	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl+NaCOOH"	102.956829
"923266"	775.072986	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M-H+CF3COOH"	112.985586
"1299977"	811.049664	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Cl+CF3COOH"	148.962264
"1380328"	627.074724	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H-2H2O"	-35.012676
"1396002"	645.0847	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H-H2O"	-17.0027
"293136"	1325.182076	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H"	1.007276
"679359"	1987.269476	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H"	1.007276
"1356437"	663.094676	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H"	1.007276
"139539"	663.094676	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2H"	2.014552
"571077"	994.138376	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2H"	2.014552
"1046074"	332.050976	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2H"	2.014552
"216891"	442.398876	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+3H"	3.021828
"653899"	663.094676	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+3H"	3.021828
"1177980"	221.703076	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+3H"	3.021828
"438706"	1342.208623	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+NH4"	18.033823
"800301"	2004.296023	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+NH4"	18.033823
"1694454"	680.121223	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+NH4"	18.033823
"343827"	671.6079495	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H+NH4"	19.041099
"735882"	1002.6516495	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H+NH4"	19.041099
"1491525"	340.5642495	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+NH4"	19.041099
"407287"	1347.164018	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Na"	22.989218
"767915"	2009.251418	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+Na"	22.989218
"1617474"	685.076618	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na"	22.989218
"328967"	674.085647	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H+Na"	23.996494
"722485"	1005.129347	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H+Na"	23.996494
"1476586"	343.041947	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+Na"	23.996494
"1068414"	229.03039	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2H+Na"	25.00377
"1270503"	695.120886	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+CH3OH+H"	33.033486
"383613"	1363.137958	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+K"	38.963158
"746795"	2025.225358	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+K"	38.963158
"1546662"	701.050558	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K"	38.963158
"313196"	682.072617	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+H+K"	39.970434
"705736"	1013.116317	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+H+K"	39.970434
"1460898"	351.028917	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+K"	39.970434
"248158"	1366.208626	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+ACN+H"	42.033826
"1225451"	704.121226	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+ACN+H"	42.033826
"1208410"	352.564251	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+ACN+2H"	43.041102
"202860"	1369.14596	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2Na-H"	44.97116
"641451"	2031.23336	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2Na-H"	44.97116
"1143249"	707.05856	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2Na-H"	44.97116
"186180"	685.076618	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2Na"	45.978436
"625741"	1016.120318	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2Na"	45.978436
"1129247"	354.032918	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2Na"	45.978436
"1412405"	236.357704	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+2Na"	46.985712
"1444157"	709.100146	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+HCOOH"	47.012746
"233124"	690.10964	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+3H2O+2H"	56.04448
"1522644"	723.15219	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+IsoProp+H"	61.06479
"423057"	693.063588	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+Na+K"	61.952376
"782960"	1024.107288	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+Na+K"	61.952376
"1678927"	362.019888	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na+K"	61.952376
"262894"	1388.190568	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+ACN+Na"	64.015768
"1236329"	726.103168	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+ACN+Na"	64.015768
"1719383"	726.126693	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+NH4+HCOOH"	64.039293
"1183643"	243.685018	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+3Na"	68.967654
"1657911"	731.082088	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na+HCOOH"	68.994688
"162584"	1401.09384	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2K-H"	76.91904
"606518"	2063.18124	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2K-H"	76.91904
"1097228"	739.00644	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2K-H"	76.91904
"150034"	701.050558	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"2M+2K"	77.926316
"595064"	1032.094258	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"3M+2K"	77.926316
"1082492"	370.006858	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2K"	77.926316
"1114243"	741.020992	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2K+H"	78.933592
"1348075"	741.108607	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+DMSO+H"	79.021207
"1015510"	745.147776	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2ACN+H"	83.060376
"1528169"	746.141408	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+IsoProp+Na+H"	84.054008
"994617"	373.077526	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+2ACN+2H"	84.067652
"1592401"	747.056028	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K+HCOOH"	84.968628
"1418060"	777.087538	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+H+CF3COOH"	115.000138
"1156006"	393.590801	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+3ACN+2H"	125.094202
"1697906"	794.114085	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+NH4+CF3COOH"	132.026685
"1634649"	799.06948	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+Na+CF3COOH"	136.98208
"1573583"	815.04342	"C19745"	"UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronate;UDP-alpha-D-ManNAc3NAcA;UDP-23-diacetamido-23-dideoxy-alpha-D-mannuronic acid"	"C19H28N4O18P2"	"662.0874"	"M+K+CF3COOH"	152.95602
"810513"	222.1984	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M"	0
"979673"	203.18001	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"65729"	147.124990666667	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"504195"	221.191124	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"883090"	73.0588573333333	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"8227"	221.191124	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"455534"	332.290324	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"831802"	110.091924	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"94183"	443.389524	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"534163"	665.587924	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"910614"	221.191124	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"62518"	460.416071	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"502723"	682.614471	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"876878"	238.217671	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"46481"	465.371466	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"485434"	687.569866	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"859955"	243.173066	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1631675"	243.173066	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"107108"	239.179463	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"539017"	350.278663	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"929006"	128.080263	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"269994"	479.366202	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"671165"	701.564602	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1286852"	257.167802	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"21752"	481.345406	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"470918"	703.543806	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"845311"	259.147006	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1570261"	259.147006	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"955956"	267.196594	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"374173"	489.395001	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"355869"	503.410651	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1503607"	281.212251	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"963496"	289.178551	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"118966"	257.167802	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"556339"	368.267002	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1036074"	146.068602	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1249090"	301.117285	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1308258"	303.173272	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1332319"	325.155229	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"924470"	335.183986	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1301180"	371.160664	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1381048"	187.185724	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1397205"	205.1957	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"295434"	445.404076	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"683480"	667.602476	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1356547"	223.205676	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"137096"	223.205676	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"571551"	334.304876	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1046184"	112.106476	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"217365"	149.139542666667	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"654009"	223.205676	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1176145"	75.0734093333333	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"439175"	462.430623	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"798225"	684.629023	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1694200"	240.232223	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"343937"	231.7189495	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"736721"	342.8181495	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1491151"	120.6197495	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"406306"	467.386018	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"766931"	689.584418	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1616853"	245.187618	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"327984"	234.196647	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"721134"	345.295847	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1476656"	123.097447	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1066379"	82.4007233333333	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1270614"	255.231886	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"384817"	483.359958	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"749093"	705.558358	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1548960"	261.161558	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"314196"	242.183617	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"704754"	353.282817	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1461052"	131.084417	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"247539"	486.430626	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1225112"	264.232226	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1209126"	132.619751	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"202727"	489.36796	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"642046"	711.56636	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1144455"	267.16956	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"187019"	245.187618	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"627675"	356.286818	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1129725"	134.088418	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1412146"	89.7280373333333	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1444512"	269.211146	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"233233"	250.22064	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1523241"	283.26319	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"421708"	253.174588	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"783799"	364.273788	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1679401"	142.075388	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"264097"	508.412568	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1237536"	286.214168	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1718400"	286.237693	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1184846"	97.0553513333333	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1658021"	291.193088	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"165975"	521.31584	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"608451"	743.51424	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1098069"	299.11744	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"150144"	261.161558	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"596149"	372.260758	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1083574"	150.062358	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1114596"	301.131992	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1348550"	301.219607	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1015620"	305.258776	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1530465"	306.252408	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"994727"	153.133026	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1592511"	307.167028	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1418170"	337.198538	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1158303"	173.646301	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1699109"	354.225085	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1638039"	359.18048	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1573693"	375.15442	"C19746"	"(3R6E)-Nerolidol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"808437"	204.1878	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M"	0
"974482"	185.16941	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"65839"	135.117924	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"503367"	203.180524	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"882107"	67.055324	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6149"	203.180524	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454101"	305.274424	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"830928"	101.086624	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92633"	407.368324	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533408"	611.556124	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909265"	203.180524	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62220"	424.394871	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502229"	628.582671	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"877959"	220.207071	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"45861"	429.350266	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485180"	633.538066	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856786"	225.162466	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1632758"	225.162466	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"106854"	221.168863	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536943"	323.262763	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"927371"	119.074963	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269011"	443.345002	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"667994"	647.532802	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1284775"	239.157202	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"21862"	445.324206	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"466891"	649.512006	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"842506"	241.136406	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1565994"	241.136406	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956796"	249.185994	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"376188"	453.373801	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"355979"	467.389451	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1503717"	263.201651	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"964699"	271.167951	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120169"	239.157202	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"557542"	341.251102	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036184"	137.063302	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1249200"	283.106685	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309461"	285.162672	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1333522"	307.144629	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924578"	317.173386	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302747"	353.150064	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1382126"	169.175124	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1397316"	187.1851	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"295546"	409.382876	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684319"	613.570676	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356657"	205.195076	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H"	1.007276
"136113"	205.195076	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570203"	307.288976	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041190"	103.101176	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2H"	2.014552
"210184"	137.132476	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"654846"	205.195076	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1172973"	69.069876	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435517"	426.409423	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798336"	630.597223	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695035"	222.221623	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343686"	213.7083495	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"736713"	315.8022495	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1490652"	111.6144495	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"406659"	431.364818	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"766678"	635.552618	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1616235"	227.177018	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Na"	22.989218
"328341"	216.186047	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"719789"	318.279947	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1474338"	114.092147	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1065032"	76.39719	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268902"	237.221286	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"384927"	447.338758	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+K"	38.963158
"749570"	651.526558	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1551622"	243.150958	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+K"	38.963158
"314182"	224.173017	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"705228"	326.266917	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1461218"	122.079117	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"248014"	450.409426	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225426"	246.221626	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208144"	123.614451	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202472"	453.34676	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"641791"	657.53456	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1143836"	249.15896	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"184942"	227.177018	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"625961"	329.270918	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129464"	125.083118	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1411892"	83.724504	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1442913"	251.200546	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234071"	232.21004	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522863"	265.25259	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"421451"	235.163988	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783177"	337.257888	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678047"	133.070088	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"265298"	472.391368	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1238009"	268.203568	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1723978"	268.227093	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1188237"	91.051818	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659226"	273.182488	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"168272"	485.29464	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609654"	689.48244	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097083"	281.10684	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"153534"	243.150958	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"596258"	345.244858	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1083198"	141.057058	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1113733"	283.121392	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349267"	283.209007	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1012450"	287.248176	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1530575"	288.241808	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"994837"	144.127726	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593714"	289.156428	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417187"	319.187938	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156226"	164.641001	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1701406"	336.214485	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1640336"	341.16988	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1580364"	357.14382	"C19747"	"Germacrene C"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"810733"	204.1878	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M"	0
"974909"	185.16941	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64856"	135.117924	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"504412"	203.180524	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880270"	67.055324	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"5166"	203.180524	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"444726"	305.274424	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"825812"	101.086624	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92854"	407.368324	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532906"	611.556124	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909008"	203.180524	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61438"	424.394871	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"500755"	628.582671	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876003"	220.207071	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"46334"	429.350266	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"480187"	633.538066	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"855801"	225.162466	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619867"	225.162466	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"100769"	221.168863	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"539237"	323.262763	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931659"	119.074963	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"277870"	443.345002	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"667011"	647.532802	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1278322"	239.157202	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"21971"	445.324206	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464813"	649.512006	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"834960"	241.136406	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1559543"	241.136406	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956906"	249.185994	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375487"	453.373801	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356089"	467.389451	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1503827"	263.201651	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"964809"	271.167951	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"112988"	239.157202	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"552548"	341.251102	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1024264"	137.063302	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1243842"	283.106685	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1307384"	285.162672	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332538"	307.144629	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921408"	317.173386	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302857"	353.150064	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1382236"	169.175124	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1397912"	187.1851	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"295288"	409.382876	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"683700"	613.570676	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356767"	205.195076	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"136949"	205.195076	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"569220"	307.288976	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041300"	103.101176	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"211387"	137.132476	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"654227"	205.195076	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1172354"	69.069876	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435627"	426.409423	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799539"	630.597223	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695510"	222.221623	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343312"	213.7083495	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737067"	315.8022495	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492103"	111.6144495	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"407621"	431.364818	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"767152"	635.552618	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1615981"	227.177018	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"328816"	216.186047	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"720991"	318.279947	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1475176"	114.092147	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1064413"	76.39719	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1270592"	237.221286	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"386130"	447.338758	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"748586"	651.526558	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1551732"	243.150958	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"313041"	224.173017	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"702422"	326.266917	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1460132"	122.079117	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"248488"	450.409426	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1223384"	246.221626	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207640"	123.614451	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"201606"	453.34676	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"639706"	657.53456	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1141396"	249.15896	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"184686"	227.177018	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624246"	329.270918	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1127385"	125.083118	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1411272"	83.724504	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1442660"	251.200546	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"233084"	232.21004	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1520783"	265.25259	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"420832"	235.163988	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"781828"	337.257888	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1672688"	133.070088	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"263948"	472.391368	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1234105"	268.203568	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720805"	268.227093	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1189442"	91.051818	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1654960"	273.182488	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"160728"	485.29464	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603568"	689.48244	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1092455"	281.10684	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145989"	243.150958	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"591017"	345.244858	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1070182"	141.057058	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1105457"	283.121392	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336738"	283.209007	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1006844"	287.248176	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1528498"	288.241808	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"997133"	144.127726	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593824"	289.156428	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1418390"	319.187938	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148681"	164.641001	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1704796"	336.214485	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638259"	341.16988	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573914"	357.14382	"C19748"	"(E)-gamma-Bisabolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"809750"	204.1878	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M"	0
"981098"	185.16941	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"67154"	135.117924	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"504527"	203.180524	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"883422"	67.055324	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6372"	203.180524	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454440"	305.274424	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"832780"	101.086624	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"94025"	407.368324	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"531682"	611.556124	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909728"	203.180524	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62033"	424.394871	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499407"	628.582671	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"875023"	220.207071	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"40738"	429.350266	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"483576"	633.538066	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854817"	225.162466	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1623257"	225.162466	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101972"	221.168863	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536067"	323.262763	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"938331"	119.074963	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"274701"	443.345002	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"668214"	647.532802	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1278432"	239.157202	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"19894"	445.324206	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459457"	649.512006	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"835434"	241.136406	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1559653"	241.136406	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"955922"	249.185994	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374504"	453.373801	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"358386"	467.389451	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1500658"	263.201651	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"968200"	271.167951	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"117109"	239.157202	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"553023"	341.251102	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1023281"	137.063302	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1243589"	283.106685	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1306764"	285.162672	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332648"	307.144629	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920425"	317.173386	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1296040"	353.150064	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1382224"	169.175124	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1398337"	187.1851	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"296858"	409.382876	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"682717"	613.570676	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1361252"	205.195076	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137059"	205.195076	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570423"	307.288976	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1046150"	103.101176	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"208218"	137.132476	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"654337"	205.195076	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1173923"	69.069876	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435374"	426.409423	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798191"	630.597223	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695980"	222.221623	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345320"	213.7083495	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737987"	315.8022495	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492212"	111.6144495	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"406270"	431.364818	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"765074"	635.552618	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1612079"	227.177018	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"327948"	216.186047	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"718547"	318.279947	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1475284"	114.092147	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1064887"	76.39719	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1271676"	237.221286	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"389520"	447.338758	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"749424"	651.526558	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1550383"	243.150958	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"313272"	224.173017	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"702896"	326.266917	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1460611"	122.079117	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249692"	450.409426	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1220578"	246.221626	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208600"	123.614451	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202564"	453.34676	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"640545"	657.53456	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1143692"	249.15896	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"186618"	227.177018	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"626178"	329.270918	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1129318"	125.083118	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1410653"	83.724504	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1442038"	251.200546	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"233559"	232.21004	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522350"	265.25259	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"422766"	235.163988	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"784126"	337.257888	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1679359"	133.070088	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"265152"	472.391368	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1235309"	268.203568	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720915"	268.227093	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187364"	91.051818	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652884"	273.182488	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"159745"	485.29464	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"600398"	689.48244	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1092565"	281.10684	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"149380"	243.150958	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"590034"	345.244858	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1068833"	141.057058	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1102287"	283.121392	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336362"	283.209007	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1006343"	287.248176	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1528608"	288.241808	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"997243"	144.127726	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593934"	289.156428	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1418500"	319.187938	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1150978"	164.641001	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1701626"	336.214485	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638369"	341.16988	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1574024"	357.14382	"C19749"	"(E)-alpha-Bisabolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"813139"	186.0681	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M"	0
"975006"	167.04971	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"67264"	123.038124	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"505001"	185.060824	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"883531"	61.015424	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"3200"	185.060824	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"453699"	278.094874	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"831019"	92.026774	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"93325"	371.128924	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"532279"	557.197024	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"910444"	185.060824	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"62022"	388.155471	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"501463"	574.223571	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"876227"	202.087371	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"43034"	393.110866	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"483685"	579.178966	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"854928"	207.042766	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1625555"	207.042766	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"99896"	203.049163	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"537269"	296.083213	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"938441"	110.015113	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"274811"	407.105602	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"665045"	593.173702	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1281822"	221.037502	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"21098"	409.084806	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"463940"	595.152906	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"836272"	223.016706	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1563043"	223.016706	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"955302"	231.066294	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"375709"	417.134401	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"356309"	431.150051	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1504048"	245.081951	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"969403"	253.048251	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"117219"	221.037502	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"553133"	314.071552	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1024120"	128.003452	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1243699"	264.986985	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1306875"	267.042972	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1334949"	289.024929	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"926734"	299.053686	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1300526"	335.030364	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1380877"	151.055424	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1393634"	169.0654	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"296604"	373.143476	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"685379"	559.211576	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1358813"	187.075376	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"134253"	187.075376	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"567617"	280.109426	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1039332"	94.041326	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"209420"	125.052676	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"655542"	187.075376	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1173669"	63.029976	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"434755"	390.170023	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"798302"	576.238123	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1693175"	204.101923	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"344009"	195.5886495	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"737160"	288.6226995	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1492316"	102.5545995	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"402002"	395.125418	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"761904"	581.193518	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1616199"	209.057318	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"328788"	198.066347	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"715740"	291.100397	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1472476"	105.032297	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1066091"	70.35729	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1271055"	219.101586	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"390724"	411.099358	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"752451"	597.167458	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1551952"	225.031258	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"314151"	206.053317	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"703370"	299.087367	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1461151"	113.019267	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"250166"	414.170026	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1221781"	228.101926	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1207741"	114.554601	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"202188"	417.10736	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"641019"	603.17546	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1145142"	231.03926	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"186731"	209.057318	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"625558"	302.091368	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1130037"	116.023268	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1412222"	77.684604	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1443244"	233.080846	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"232940"	214.09034	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1521734"	247.13289	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"422148"	217.044288	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"783507"	310.078338	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1680202"	124.010238	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"265997"	436.151968	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1234327"	250.083868	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1718837"	250.107393	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1185285"	85.011918	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1651896"	255.062788	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"158388"	449.05524	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"598558"	635.12334	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1088296"	262.98714	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"147302"	225.031258	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"583945"	318.065308	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1071375"	131.997208	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1105678"	265.001692	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1348503"	265.089307	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1014967"	269.128476	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1535280"	270.122108	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"1001727"	135.067876	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1590762"	271.036728	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1417516"	301.068238	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1149991"	155.581151	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1698454"	318.094785	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1635200"	323.05018	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1573401"	339.02412	"C19750"	"35-Dihydroxybiphenyl;35-Biphenyldiol;5-Phenylresorcinol"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"816533"	204.1878	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M"	0
"988974"	185.16941	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"73935"	135.117924	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"513496"	203.180524	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"888017"	67.055324	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"12061"	203.180524	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454542"	305.274424	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"829802"	101.086624	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"90888"	407.368324	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532027"	611.556124	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909706"	203.180524	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"59706"	424.394871	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"498538"	628.582671	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876704"	220.207071	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44238"	429.350266	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485985"	633.538066	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858320"	225.162466	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1630040"	225.162466	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"103289"	221.168863	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"543944"	323.262763	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"939645"	119.074963	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281483"	443.345002	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"674877"	647.532802	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1281933"	239.157202	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"22302"	445.324206	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"469519"	649.512006	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"848448"	241.136406	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570810"	241.136406	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957485"	249.185994	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375454"	453.373801	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356419"	467.389451	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506839"	263.201651	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967330"	271.167951	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"119517"	239.157202	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562727"	341.251102	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032986"	137.063302	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254746"	283.106685	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1316467"	285.162672	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334696"	307.144629	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925027"	317.173386	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1303557"	353.150064	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1380625"	169.175124	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394474"	187.1851	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"298340"	409.382876	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"691045"	613.570676	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1362205"	205.195076	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137282"	205.195076	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"580857"	307.288976	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1051118"	103.101176	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218647"	137.132476	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"657114"	205.195076	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1177672"	69.069876	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438883"	426.409423	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799507"	630.597223	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691099"	222.221623	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345174"	213.7083495	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"738366"	315.8022495	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1491091"	111.6144495	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"407220"	431.364818	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"768580"	635.552618	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1617405"	227.177018	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"329141"	216.186047	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"721083"	318.279947	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1476363"	114.092147	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1068154"	76.39719	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268981"	237.221286	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"387556"	447.338758	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"750740"	651.526558	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1554617"	243.150958	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"313738"	224.173017	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"706647"	326.266917	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1459497"	122.079117	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"247007"	450.409426	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222999"	246.221626	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207611"	123.614451	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203035"	453.34676	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"642960"	657.53456	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1145736"	249.15896	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187450"	227.177018	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627494"	329.270918	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1131209"	125.083118	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413189"	83.724504	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1444938"	251.200546	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"232322"	232.21004	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1523184"	265.25259	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"424041"	235.163988	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"783984"	337.257888	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1681126"	133.070088	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266103"	472.391368	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1239176"	268.203568	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720044"	268.227093	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1185399"	91.051818	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1656383"	273.182488	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"164338"	485.29464	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"602806"	689.48244	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1089505"	281.10684	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"149601"	243.150958	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"594628"	345.244858	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079140"	141.057058	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1115147"	283.121392	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347641"	283.209007	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1013984"	287.248176	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1536483"	288.241808	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"998557"	144.127726	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1594154"	289.156428	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1420907"	319.187938	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1151198"	164.641001	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1699659"	336.214485	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1636403"	341.16988	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1574241"	357.14382	"C19751"	"(S)-beta-Bisabolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"811172"	204.1878	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M"	0
"974249"	185.16941	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"74045"	135.117924	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"504858"	203.180524	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"881562"	67.055324	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"3420"	203.180524	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452829"	305.274424	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"832772"	101.086624	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"92093"	407.368324	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533472"	611.556124	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909698"	203.180524	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61762"	424.394871	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502050"	628.582671	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"879408"	220.207071	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44349"	429.350266	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"486095"	633.538066	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"860617"	225.162466	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1629056"	225.162466	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101211"	221.168863	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"544054"	323.262763	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"937568"	119.074963	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281593"	443.345002	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"674987"	647.532802	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280950"	239.157202	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"22412"	445.324206	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"469994"	649.512006	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847437"	241.136406	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570191"	241.136406	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957719"	249.185994	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375564"	453.373801	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357623"	467.389451	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504271"	263.201651	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"970720"	271.167951	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"119627"	239.157202	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"562836"	341.251102	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1034188"	137.063302	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251941"	283.106685	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1315484"	285.162672	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334927"	307.144629	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925747"	317.173386	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1303954"	353.150064	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1380735"	169.175124	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1393125"	187.1851	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"298429"	409.382876	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"691365"	613.570676	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1366815"	205.195076	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137028"	205.195076	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"580360"	307.288976	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1051224"	103.101176	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"219001"	137.132476	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659414"	205.195076	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1177901"	69.069876	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438990"	426.409423	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798159"	630.597223	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691209"	222.221623	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345203"	213.7083495	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"736285"	315.8022495	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1490838"	111.6144495	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"405510"	431.364818	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"767597"	635.552618	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1616667"	227.177018	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"328892"	216.186047	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"716690"	318.279947	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1474891"	114.092147	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1067897"	76.39719	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1268002"	237.221286	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"387669"	447.338758	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"749761"	651.526558	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1553998"	243.150958	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+K"	38.963158
"312879"	224.173017	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"706394"	326.266917	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1460336"	122.079117	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"245663"	450.409426	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222382"	246.221626	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208452"	123.614451	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203269"	453.34676	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643439"	657.53456	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146706"	249.15896	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187806"	227.177018	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"628216"	329.270918	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1130626"	125.083118	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413905"	83.724504	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1445169"	251.200546	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234623"	232.21004	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522687"	265.25259	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"423951"	235.163988	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"784459"	337.257888	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1680424"	133.070088	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266862"	472.391368	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1241235"	268.203568	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1728133"	268.227093	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190977"	91.051818	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1657588"	273.182488	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"165542"	485.29464	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"602917"	689.48244	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1096176"	281.10684	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151898"	243.150958	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"595589"	345.244858	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079250"	141.057058	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1115378"	283.121392	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1346658"	283.209007	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1014094"	287.248176	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1535500"	288.241808	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"997574"	144.127726	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1590985"	289.156428	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1418831"	319.187938	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1152401"	164.641001	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1699769"	336.214485	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637606"	341.16988	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1574351"	357.14382	"C19752"	"(S)-beta-Macrocarpene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"811283"	204.1878	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M"	0
"974972"	185.16941	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"68686"	135.117924	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"508249"	203.180524	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"888238"	67.055324	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"10093"	203.180524	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"450746"	305.274424	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"829644"	101.086624	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"90735"	407.368324	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533332"	611.556124	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"908109"	203.180524	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"60658"	424.394871	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"500463"	628.582671	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878382"	220.207071	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"45916"	429.350266	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"484386"	633.538066	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"859633"	225.162466	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1628073"	225.162466	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104601"	221.168863	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"544164"	323.262763	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"931116"	119.074963	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278422"	443.345002	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"668656"	647.532802	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1284341"	239.157202	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"19243"	445.324206	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"468281"	649.512006	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847181"	241.136406	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570303"	241.136406	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956367"	249.185994	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375674"	453.373801	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"358463"	467.389451	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1501100"	263.201651	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"962809"	271.167951	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"114633"	239.157202	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554558"	341.251102	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1031377"	137.063302	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1250958"	283.106685	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1319001"	285.162672	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1328714"	307.144629	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"923055"	317.173386	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302682"	353.150064	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372460"	169.175124	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1392143"	187.1851	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297786"	409.382876	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"688627"	613.570676	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1362789"	205.195076	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H"	1.007276
"134584"	205.195076	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"574874"	307.288976	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1051939"	103.101176	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"216680"	137.132476	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"657699"	205.195076	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1175094"	69.069876	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436545"	426.409423	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799362"	630.597223	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690225"	222.221623	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"342514"	213.7083495	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"733113"	315.8022495	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492039"	111.6144495	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"407072"	431.364818	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"764422"	635.552618	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1614343"	227.177018	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"325109"	216.186047	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"720810"	318.279947	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1475364"	114.092147	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1067764"	76.39719	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1271392"	237.221286	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"392034"	447.338758	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"752061"	651.526558	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1554114"	243.150958	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+K"	38.963158
"313761"	224.173017	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"705530"	326.266917	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1460082"	122.079117	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249421"	450.409426	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222859"	246.221626	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209175"	123.614451	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"202895"	453.34676	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"644127"	657.53456	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146876"	249.15896	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"188494"	227.177018	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627718"	329.270918	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1131260"	125.083118	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413777"	83.724504	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1445327"	251.200546	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"235304"	232.21004	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522798"	265.25259	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"423984"	235.163988	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"785547"	337.257888	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1680780"	133.070088	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266324"	472.391368	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1240496"	268.203568	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1727919"	268.227093	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1192180"	91.051818	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1654783"	273.182488	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161643"	485.29464	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"608495"	689.48244	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1090821"	281.10684	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"155169"	243.150958	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"596435"	345.244858	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080455"	141.057058	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1114273"	283.121392	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344581"	283.209007	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017485"	287.248176	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1533423"	288.241808	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"996591"	144.127726	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1594375"	289.156428	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1420034"	319.187938	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1153605"	164.641001	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1705348"	336.214485	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637718"	341.16988	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1574464"	357.14382	"C19753"	"cis-Muurola-35-diene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"811393"	204.1878	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M"	0
"975569"	185.16941	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"67704"	135.117924	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"510546"	203.180524	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"885068"	67.055324	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"9839"	203.180524	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"449763"	305.274424	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"828660"	101.086624	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"87558"	407.368324	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"532225"	611.556124	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909426"	203.180524	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61368"	424.394871	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"501172"	628.582671	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"877156"	220.207071	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44691"	429.350266	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485219"	633.538066	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"860836"	225.162466	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1627089"	225.162466	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101428"	221.168863	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"543178"	323.262763	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929040"	119.074963	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278533"	443.345002	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"667674"	647.532802	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1281172"	239.157202	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"19353"	445.324206	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"465474"	649.512006	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"834649"	241.136406	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1566764"	241.136406	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"951367"	249.185994	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374691"	453.373801	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353466"	467.389451	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1500114"	263.201651	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"964376"	271.167951	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"110971"	239.157202	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"551751"	341.251102	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1021884"	137.063302	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1248514"	283.106685	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1310236"	285.162672	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1325544"	307.144629	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"919885"	317.173386	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1302550"	353.150064	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1375850"	169.175124	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1388972"	187.1851	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297775"	409.382876	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"688737"	613.570676	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1365087"	205.195076	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137246"	205.195076	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"576807"	307.288976	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1052130"	103.101176	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218247"	137.132476	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"656715"	205.195076	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1174108"	69.069876	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436289"	426.409423	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799473"	630.597223	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695441"	222.221623	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343718"	213.7083495	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"735046"	315.8022495	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1491421"	111.6144495	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"404634"	431.364818	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"766725"	635.552618	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1615915"	227.177018	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"328137"	216.186047	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"719464"	318.279947	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1473286"	114.092147	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1067513"	76.39719	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1271626"	237.221286	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"391538"	447.338758	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"753385"	651.526558	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1554216"	243.150958	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+K"	38.963158
"312124"	224.173017	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704911"	326.266917	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458367"	122.079117	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249161"	450.409426	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1223578"	246.221626	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1208068"	123.614451	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203368"	453.34676	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"643538"	657.53456	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146438"	249.15896	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"188420"	227.177018	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"628235"	329.270918	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1131011"	125.083118	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1413275"	83.724504	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1445029"	251.200546	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"235452"	232.21004	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1523514"	265.25259	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"422588"	235.163988	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"785493"	337.257888	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1680887"	133.070088	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"266069"	472.391368	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1240486"	268.203568	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1726573"	268.227093	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1191926"	91.051818	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1657809"	273.182488	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"163576"	485.29464	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"608605"	689.48244	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1090931"	281.10684	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"156013"	243.150958	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"596545"	345.244858	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080565"	141.057058	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1114625"	283.121392	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344691"	283.209007	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017595"	287.248176	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1533533"	288.241808	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001076"	144.127726	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1597766"	289.156428	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1420144"	319.187938	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1154808"	164.641001	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1702178"	336.214485	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637828"	341.16988	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1574573"	357.14382	"C19754"	"cis-Muurola-4(14)5-diene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"811503"	222.1984	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M"	0
"975559"	203.18001	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"67814"	147.124990666667	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"511749"	221.191124	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"886271"	73.0588573333333	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"10313"	221.191124	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"449873"	332.290324	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"829863"	110.091924	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"87668"	443.389524	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"531603"	665.587924	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"909409"	221.191124	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"62325"	460.416071	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"501038"	682.614471	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"878600"	238.217671	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"45891"	465.371466	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"486183"	687.569866	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"860945"	243.173066	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1629386"	243.173066	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"102631"	239.179463	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"541101"	350.278663	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"929150"	128.080263	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"278643"	479.366202	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"668877"	701.564602	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1282375"	257.167802	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"19463"	481.345406	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"466677"	703.543806	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"834759"	259.147006	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1566874"	259.147006	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"950384"	267.196594	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"374435"	489.395001	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"353576"	503.410651	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1498765"	281.212251	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"966672"	289.178551	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"110473"	257.167802	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"553683"	368.267002	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1024303"	146.068602	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1247895"	301.117285	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1311439"	303.173272	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1324925"	325.155229	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"919995"	335.183986	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1301808"	371.160664	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1378876"	187.185724	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1392362"	205.1957	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"295696"	445.404076	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"686295"	667.602476	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1362280"	223.205676	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"136992"	223.205676	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"576917"	334.304876	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1044257"	112.106476	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"212158"	149.139542666667	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"654999"	223.205676	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1167654"	75.0734093333333	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"430928"	462.430623	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"798124"	684.629023	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1693729"	240.232223	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"343828"	231.7189495	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"738196"	342.8181495	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1492505"	120.6197495	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"405837"	467.386018	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"767564"	689.584418	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1614931"	245.187618	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"329220"	234.196647	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"718480"	345.295847	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1475581"	123.097447	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1065553"	82.4007233333333	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1271939"	255.231886	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"391283"	483.359958	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"753615"	705.558358	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1554936"	261.161558	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"311505"	242.183617	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"703927"	353.282817	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1459935"	131.084417	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"248537"	486.430626	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1224295"	264.232226	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1209152"	132.619751	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"203597"	489.36796	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"643896"	711.56636	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1146714"	267.16956	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"188395"	245.187618	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"628183"	356.286818	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1130229"	134.088418	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1413510"	89.7280373333333	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1444903"	269.211146	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"234221"	250.22064	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1524058"	283.26319	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"421604"	253.174588	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"785031"	364.273788	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1680878"	142.075388	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"266871"	508.412568	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1238887"	286.214168	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1728310"	286.237693	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1193375"	97.0553513333333	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1661199"	291.193088	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"163686"	521.31584	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"608715"	743.51424	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1094321"	299.11744	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"156611"	261.161558	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"596903"	372.260758	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1080675"	150.062358	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1111697"	301.131992	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1345895"	301.219607	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1017705"	305.258776	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1535830"	306.252408	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1001186"	153.133026	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1600063"	307.167028	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420254"	337.198538	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1151638"	173.646301	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1702288"	354.225085	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1639031"	359.18048	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1574683"	375.15442	"C19755"	"Patchoulol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"810520"	222.1984	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M"	0
"985149"	203.18001	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"74485"	147.124990666667	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"508579"	221.191124	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"885288"	73.0588573333333	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"4954"	221.191124	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"448888"	332.290324	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"829973"	110.091924	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"87778"	443.389524	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"528431"	665.587924	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"909515"	221.191124	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"57329"	460.416071	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"499083"	682.614471	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"876885"	238.217671	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"44420"	465.371466	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"486167"	687.569866	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"861784"	243.173066	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1631683"	243.173066	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"102742"	239.179463	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"543398"	350.278663	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"939103"	128.080263	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"277660"	479.366202	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"670082"	701.564602	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1282485"	257.167802	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"22852"	481.345406	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"465695"	703.543806	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"844592"	259.147006	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1565895"	259.147006	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"954872"	267.196594	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"369806"	489.395001	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"354783"	503.410651	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1503614"	281.212251	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"962044"	289.178551	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"113503"	257.167802	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"557440"	368.267002	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1028790"	146.068602	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1246915"	301.117285	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1311551"	303.173272	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1331965"	325.155229	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"925700"	335.183986	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1302649"	371.160664	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1378622"	187.185724	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1389192"	205.1957	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"297996"	445.404076	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"691369"	667.602476	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1362390"	223.205676	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"136373"	223.205676	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"581037"	334.304876	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1050565"	112.106476	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"214455"	149.139542666667	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"655109"	223.205676	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1168857"	75.0734093333333	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"434318"	462.430623	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"798963"	684.629023	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1695663"	240.232223	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"345031"	231.7189495	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"737454"	342.8181495	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1491278"	120.6197495	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"405950"	467.386018	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"766945"	689.584418	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1615041"	245.187618	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"329900"	234.196647	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"721872"	345.295847	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1475693"	123.097447	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1065663"	82.4007233333333	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1270632"	255.231886	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"392450"	483.359958	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"753440"	705.558358	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1553343"	261.161558	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"312344"	242.183617	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"705129"	353.282817	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1459681"	131.084417	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"250106"	486.430626	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1224405"	264.232226	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1207427"	132.619751	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"203872"	489.36796	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"642047"	711.56636	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1146839"	267.16956	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"188248"	245.187618	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"628374"	356.286818	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1130712"	134.088418	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1414095"	89.7280373333333	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1445539"	269.211146	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"234694"	250.22064	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1523571"	283.26319	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"423295"	253.174588	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"785064"	364.273788	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1681232"	142.075388	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"266739"	508.412568	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1240578"	286.214168	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1728298"	286.237693	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1193815"	97.0553513333333	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1664227"	291.193088	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"163796"	521.31584	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"611012"	743.51424	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1099538"	299.11744	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"157119"	261.161558	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"596603"	372.260758	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1079692"	150.062358	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1114724"	301.131992	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1346005"	301.219607	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1013440"	305.258776	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1535940"	306.252408	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1000203"	153.133026	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1597987"	307.167028	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420364"	337.198538	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1151748"	173.646301	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1705678"	354.225085	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1639139"	359.18048	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1574794"	375.15442	"C19756"	"Presilphiperfolan-8beta-ol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"811722"	142.0994	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M"	0
"976509"	123.08101	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-H2O-H"	-19.01839
"71315"	93.7256573333333	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M-3H"	-3.021828
"508687"	141.092124	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M-3H"	-3.021828
"881383"	46.3591906666667	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-3H"	-3.021828
"1782"	141.092124	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M-2H"	-2.014552
"443530"	212.141824	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M-2H"	-2.014552
"824614"	70.042424	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-2H"	-2.014552
"90075"	283.191524	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M-H"	-1.007276
"526354"	425.290924	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M-H"	-1.007276
"906343"	141.092124	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-H"	-1.007276
"54157"	300.218071	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M-2H+NH4"	16.019271
"500282"	442.317471	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M-2H+NH4"	16.019271
"877721"	158.118671	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-2H+NH4"	16.019271
"40518"	305.173466	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M-2H+Na"	20.974666
"483359"	447.272866	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M-2H+Na"	20.974666
"861165"	163.074066	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-2H+Na"	20.974666
"1629606"	163.074066	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Na-2H"	20.974666
"102852"	159.080463	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M-H+Cl"	33.962126
"541321"	230.130163	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M-H+Cl"	33.962126
"939213"	88.030763	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-H+Cl"	33.962126
"277770"	319.168202	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+Cl"	34.969402
"672378"	461.267602	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+Cl"	34.969402
"1284781"	177.068802	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Cl"	34.969402
"22962"	321.147406	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M-2H+K"	36.948606
"465805"	463.246806	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M-2H+K"	36.948606
"844702"	179.048006	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-2H+K"	36.948606
"1567098"	179.048006	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+K-2H"	36.948606
"956075"	187.097594	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-H+HCOOH"	44.998194
"369916"	329.197001	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+HCOOH-H"	44.998201
"355986"	343.212651	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+Hac-H"	59.013851
"1498620"	201.113251	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Hac-H"	59.013851
"967985"	209.079551	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-H+NaCOOH"	66.980151
"112520"	177.068802	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+2Cl"	69.938804
"557550"	248.118502	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+2Cl"	69.938804
"1026713"	106.019102	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2Cl"	69.938804
"1250305"	221.018285	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Br"	78.918885
"1308014"	223.074272	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Cl+HCOOH"	80.974872
"1332075"	245.056229	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Cl+NaCOOH"	102.956829
"923133"	255.084986	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M-H+CF3COOH"	112.985586
"1301300"	291.061664	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Cl+CF3COOH"	148.962264
"1381649"	107.086724	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H-2H2O"	-35.012676
"1389302"	125.0967	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H-H2O"	-17.0027
"297010"	285.206076	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+H"	1.007276
"689067"	427.305476	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+H"	1.007276
"1356667"	143.106676	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H"	1.007276
"131379"	143.106676	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+2H"	2.014552
"579325"	214.156376	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+2H"	2.014552
"1049218"	72.056976	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2H"	2.014552
"215294"	95.7402093333333	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+3H"	3.021828
"657893"	143.106676	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+3H"	3.021828
"1167873"	48.3737426666667	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+3H"	3.021828
"427865"	302.232623	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+NH4"	18.033823
"797980"	444.332023	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+NH4"	18.033823
"1695529"	160.133223	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+NH4"	18.033823
"342960"	151.6199495	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+H+NH4"	19.041099
"735378"	222.6696495	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+H+NH4"	19.041099
"1488466"	80.5702495	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H+NH4"	19.041099
"401687"	307.188018	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+Na"	22.989218
"766691"	449.287418	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+Na"	22.989218
"1614059"	165.088618	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Na"	22.989218
"327374"	154.097647	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+H+Na"	23.996494
"719431"	225.147347	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+H+Na"	23.996494
"1473617"	83.047947	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H+Na"	23.996494
"1068245"	55.7010566666667	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2H+Na"	25.00377
"1272323"	175.132886	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+CH3OH+H"	33.033486
"392728"	323.161958	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+K"	38.963158
"753587"	465.261358	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+K"	38.963158
"1552360"	181.062558	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+K"	38.963158
"313915"	162.084617	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+H+K"	39.970434
"704875"	233.134317	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+H+K"	39.970434
"1460521"	91.034917	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H+K"	39.970434
"249487"	326.232626	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+ACN+H"	42.033826
"1225452"	184.133226	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+ACN+H"	42.033826
"1206808"	92.570251	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+ACN+2H"	43.041102
"203575"	329.16996	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+2Na-H"	44.97116
"641793"	471.26936	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+2Na-H"	44.97116
"1147044"	187.07056	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2Na-H"	44.97116
"188039"	165.088618	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+2Na"	45.978436
"628493"	236.138318	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+2Na"	45.978436
"1131185"	94.038918	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2Na"	45.978436
"1413739"	63.0283706666667	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H+2Na"	46.985712
"1445283"	189.112146	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H+HCOOH"	47.012746
"234926"	170.12164	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+3H2O+2H"	56.04448
"1522138"	203.16419	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+IsoProp+H"	61.06479
"422552"	173.075588	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+Na+K"	61.952376
"785495"	244.125288	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+Na+K"	61.952376
"1680125"	102.025888	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Na+K"	61.952376
"263482"	348.214568	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+ACN+Na"	64.015768
"1236920"	206.115168	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+ACN+Na"	64.015768
"1727148"	206.138693	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+NH4+HCOOH"	64.039293
"1193799"	70.3556846666667	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+3Na"	68.967654
"1664216"	211.094088	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Na+HCOOH"	68.994688
"164999"	361.11784	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+2K-H"	76.91904
"610758"	503.21724	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+2K-H"	76.91904
"1099693"	219.01844	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2K-H"	76.91904
"156584"	181.062558	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"2M+2K"	77.926316
"594925"	252.112258	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"3M+2K"	77.926316
"1079802"	110.012858	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2K"	77.926316
"1114591"	221.032992	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2K+H"	78.933592
"1348301"	221.120607	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+DMSO+H"	79.021207
"1013550"	225.159776	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2ACN+H"	83.060376
"1538236"	226.153408	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+IsoProp+Na+H"	84.054008
"1000313"	113.083526	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+2ACN+2H"	84.067652
"1598096"	227.068028	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+K+HCOOH"	84.968628
"1423754"	257.099538	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+H+CF3COOH"	115.000138
"1147109"	133.596801	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+3ACN+2H"	125.094202
"1705788"	274.126085	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+NH4+CF3COOH"	132.026685
"1640342"	279.08148	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+Na+CF3COOH"	136.98208
"1574904"	295.05542	"C19757"	"(Z)-3-Hexen-1-ol acetate;(3Z)-Hex-3-en-1-yl acetate;cis-3-Hexenyl acetate"	"C8H14O2"	"142.0994"	"M+K+CF3COOH"	152.95602
"811832"	326.1213	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M"	0
"975526"	307.10291	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H2O-H"	-19.01839
"71425"	216.406924	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-3H"	-3.021828
"509891"	325.114024	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-3H"	-3.021828
"881129"	107.699824	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-3H"	-3.021828
"799"	325.114024	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H"	-2.014552
"441817"	488.174674	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H"	-2.014552
"822538"	162.053374	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H"	-2.014552
"86905"	651.235324	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-H"	-1.007276
"523184"	977.356624	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-H"	-1.007276
"903172"	325.114024	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H"	-1.007276
"53172"	668.261871	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H+NH4"	16.019271
"496016"	994.383171	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H+NH4"	16.019271
"870537"	342.140571	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H+NH4"	16.019271
"39535"	673.217266	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H+Na"	20.974666
"480189"	999.338566	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H+Na"	20.974666
"859454"	347.095966	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H+Na"	20.974666
"1628623"	347.095966	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na-2H"	20.974666
"104055"	343.102363	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-H+Cl"	33.962126
"541431"	506.163013	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-H+Cl"	33.962126
"934951"	180.041713	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+Cl"	33.962126
"275694"	687.212002	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Cl"	34.969402
"669574"	1013.333302	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+Cl"	34.969402
"1279427"	361.090702	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl"	34.969402
"23072"	689.191206	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H+K"	36.948606
"464823"	1015.312506	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H+K"	36.948606
"840441"	363.069906	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H+K"	36.948606
"1565022"	363.069906	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K-2H"	36.948606
"949624"	371.119494	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+HCOOH"	44.998194
"367839"	697.240801	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+HCOOH-H"	44.998201
"353908"	711.256451	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Hac-H"	59.013851
"1498366"	385.135151	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Hac-H"	59.013851
"964814"	393.101451	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+NaCOOH"	66.980151
"110930"	361.090702	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2Cl"	69.938804
"557660"	524.151352	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2Cl"	69.938804
"1027916"	198.030052	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2Cl"	69.938804
"1250414"	405.040185	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Br"	78.918885
"1309582"	407.096172	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl+HCOOH"	80.974872
"1332549"	429.078129	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl+NaCOOH"	102.956829
"923607"	439.106886	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+CF3COOH"	112.985586
"1302502"	475.083564	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl+CF3COOH"	148.962264
"1379936"	291.108624	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H-2H2O"	-35.012676
"1389412"	309.1186	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H-H2O"	-17.0027
"297728"	653.249876	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H"	1.007276
"683709"	979.371176	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H"	1.007276
"1356777"	327.128576	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H"	1.007276
"131853"	327.128576	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2H"	2.014552
"575425"	490.189226	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2H"	2.014552
"1047504"	164.067926	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2H"	2.014552
"212487"	218.421476	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+3H"	3.021828
"650953"	327.128576	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+3H"	3.021828
"1165796"	109.714376	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+3H"	3.021828
"426882"	670.276423	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+NH4"	18.033823
"798089"	996.397723	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+NH4"	18.033823
"1695761"	344.155123	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+NH4"	18.033823
"343069"	335.6418495	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H+NH4"	19.041099
"736943"	498.7024995	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H+NH4"	19.041099
"1490398"	172.5811995	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+NH4"	19.041099
"405072"	675.231818	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Na"	22.989218
"766437"	1001.353118	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+Na"	22.989218
"1614534"	349.110518	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na"	22.989218
"327242"	338.119547	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H+Na"	23.996494
"718812"	501.180197	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H+Na"	23.996494
"1472633"	175.058897	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+Na"	23.996494
"1064790"	117.04169	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2H+Na"	25.00377
"1272309"	359.154786	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+CH3OH+H"	33.033486
"392343"	691.205758	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+K"	38.963158
"748229"	1017.327058	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+K"	38.963158
"1550283"	365.084458	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K"	38.963158
"313296"	346.106517	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H+K"	39.970434
"703163"	509.167167	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H+K"	39.970434
"1460267"	183.045867	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+K"	39.970434
"248504"	694.276426	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+ACN+H"	42.033826
"1225510"	368.155126	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+ACN+H"	42.033826
"1206190"	184.581201	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+ACN+2H"	43.041102
"200883"	697.21376	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2Na-H"	44.97116
"642510"	1023.33506	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2Na-H"	44.97116
"1146728"	371.09246	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2Na-H"	44.97116
"188318"	349.110518	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2Na"	45.978436
"628358"	512.171168	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2Na"	45.978436
"1131247"	186.049868	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2Na"	45.978436
"1414120"	124.369004	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+2Na"	46.985712
"1444985"	373.134046	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+HCOOH"	47.012746
"234428"	354.14354	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+3H2O+2H"	56.04448
"1522855"	387.18609	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+IsoProp+H"	61.06479
"421933"	357.097488	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Na+K"	61.952376
"783540"	520.158138	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+Na+K"	61.952376
"1680477"	194.036838	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na+K"	61.952376
"265416"	716.258368	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+ACN+Na"	64.015768
"1235206"	390.137068	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+ACN+Na"	64.015768
"1726526"	390.160593	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+NH4+HCOOH"	64.039293
"1191881"	131.696318	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+3Na"	68.967654
"1663718"	395.115988	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na+HCOOH"	68.994688
"164016"	729.16164	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2K-H"	76.91904
"610139"	1055.28294	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2K-H"	76.91904
"1097934"	403.04034	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2K-H"	76.91904
"156450"	365.084458	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2K"	77.926316
"596619"	528.145108	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2K"	77.926316
"1079912"	202.023808	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2K"	77.926316
"1115437"	405.054892	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2K+H"	78.933592
"1348411"	405.142507	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+DMSO+H"	79.021207
"1013660"	409.181676	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2ACN+H"	83.060376
"1537253"	410.175308	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+IsoProp+Na+H"	84.054008
"1001516"	205.094476	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2ACN+2H"	84.067652
"1600393"	411.089928	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K+HCOOH"	84.968628
"1424957"	441.121438	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+CF3COOH"	115.000138
"1148688"	225.607751	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+3ACN+2H"	125.094202
"1702618"	458.147985	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+NH4+CF3COOH"	132.026685
"1637173"	463.10338	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na+CF3COOH"	136.98208
"1575014"	479.07732	"C19758"	"beta-D-Galactosyl-(1-4)-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K+CF3COOH"	152.95602
"811942"	538.4539	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M"	0
"978917"	519.43551	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-H2O-H"	-19.01839
"71535"	357.961990666667	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M-3H"	-3.021828
"508908"	537.446624	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M-3H"	-3.021828
"882330"	178.477357333333	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-3H"	-3.021828
"2002"	537.446624	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M-2H"	-2.014552
"442656"	806.673574	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M-2H"	-2.014552
"823741"	268.219674	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-2H"	-2.014552
"85922"	1075.900524	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M-H"	-1.007276
"523294"	1614.354424	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M-H"	-1.007276
"901092"	537.446624	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-H"	-1.007276
"54375"	1092.927071	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M-2H+NH4"	16.019271
"496126"	1631.380971	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M-2H+NH4"	16.019271
"870647"	554.473171	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-2H+NH4"	16.019271
"39645"	1097.882466	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M-2H+Na"	20.974666
"480299"	1636.336366	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M-2H+Na"	20.974666
"860657"	559.428566	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-2H+Na"	20.974666
"1631651"	559.428566	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Na-2H"	20.974666
"104165"	555.434963	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M-H+Cl"	33.962126
"547008"	824.661913	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M-H+Cl"	33.962126
"936154"	286.208013	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-H+Cl"	33.962126
"274712"	1111.877202	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+Cl"	34.969402
"668227"	1650.331102	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+Cl"	34.969402
"1281359"	573.423302	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Cl"	34.969402
"23182"	1113.856406	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M-2H+K"	36.948606
"462747"	1652.310306	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M-2H+K"	36.948606
"843832"	575.402506	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-2H+K"	36.948606
"1564037"	575.402506	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+K-2H"	36.948606
"950827"	583.452094	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-H+HCOOH"	44.998194
"369041"	1121.906001	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+HCOOH-H"	44.998201
"354018"	1135.921651	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+Hac-H"	59.013851
"1498840"	597.467751	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Hac-H"	59.013851
"964924"	605.434051	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-H+NaCOOH"	66.980151
"114199"	573.423302	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+2Cl"	69.938804
"553758"	842.650252	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+2Cl"	69.938804
"1023286"	304.196352	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2Cl"	69.938804
"1243593"	617.372785	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Br"	78.918885
"1316250"	619.428772	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Cl+HCOOH"	80.974872
"1331198"	641.410729	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Cl+NaCOOH"	102.956829
"913142"	651.439486	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M-H+CF3COOH"	112.985586
"1293860"	687.416164	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Cl+CF3COOH"	148.962264
"1370563"	503.441224	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H-2H2O"	-35.012676
"1394986"	521.4512	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H-H2O"	-17.0027
"290299"	1077.915076	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+H"	1.007276
"684911"	1616.368976	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+H"	1.007276
"1353969"	539.461176	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H"	1.007276
"127222"	539.461176	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+2H"	2.014552
"567141"	808.688126	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+2H"	2.014552
"1038493"	270.234226	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2H"	2.014552
"208215"	359.976542666667	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+3H"	3.021828
"647411"	539.461176	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+3H"	3.021828
"1165538"	180.491909333333	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+3H"	3.021828
"426623"	1094.941623	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+NH4"	18.033823
"790174"	1633.395523	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+NH4"	18.033823
"1690879"	556.487723	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+NH4"	18.033823
"343535"	547.9744495	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+H+NH4"	19.041099
"732674"	817.2013995	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+H+NH4"	19.041099
"1491236"	278.7474995	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H+NH4"	19.041099
"407247"	1099.897018	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+Na"	22.989218
"766182"	1638.350918	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+Na"	22.989218
"1617193"	561.443118	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Na"	22.989218
"329297"	550.452147	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+H+Na"	23.996494
"720137"	819.679097	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+H+Na"	23.996494
"1471648"	281.225197	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H+Na"	23.996494
"1065622"	187.819223333333	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2H+Na"	25.00377
"1268765"	571.487386	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+CH3OH+H"	33.033486
"391968"	1115.870958	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+K"	38.963158
"751620"	1654.324858	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+K"	38.963158
"1550391"	577.417058	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+K"	38.963158
"313166"	558.439117	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+H+K"	39.970434
"704366"	827.666067	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+H+K"	39.970434
"1460135"	289.212167	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H+K"	39.970434
"249709"	1118.941626	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+ACN+H"	42.033826
"1223512"	580.487726	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+ACN+H"	42.033826
"1207393"	290.747501	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+ACN+2H"	43.041102
"202086"	1121.87896	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+2Na-H"	44.97116
"642620"	1660.33286	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+2Na-H"	44.97116
"1146835"	583.42506	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2Na-H"	44.97116
"188345"	561.443118	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+2Na"	45.978436
"628266"	830.670068	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+2Na"	45.978436
"1131231"	292.216168	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2Na"	45.978436
"1412974"	195.146537333333	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H+2Na"	46.985712
"1443631"	585.466646	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H+HCOOH"	47.012746
"234421"	566.47614	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+3H2O+2H"	56.04448
"1521991"	599.51869	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+IsoProp+H"	61.06479
"420584"	569.430088	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+Na+K"	61.952376
"784987"	838.657038	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+Na+K"	61.952376
"1676087"	300.203138	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Na+K"	61.952376
"263700"	1140.923568	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+ACN+Na"	64.015768
"1232036"	602.469668	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+ACN+Na"	64.015768
"1726393"	602.493193	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+NH4+HCOOH"	64.039293
"1193331"	202.473851333333	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+3Na"	68.967654
"1664800"	607.448588	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Na+HCOOH"	68.994688
"165219"	1153.82684	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+2K-H"	76.91904
"610249"	1692.28074	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+2K-H"	76.91904
"1099382"	615.37294	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2K-H"	76.91904
"154857"	577.417058	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"2M+2K"	77.926316
"596775"	846.644008	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"3M+2K"	77.926316
"1083670"	308.190108	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2K"	77.926316
"1106671"	617.387492	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2K+H"	78.933592
"1348522"	617.475107	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+DMSO+H"	79.021207
"1019970"	621.514276	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2ACN+H"	83.060376
"1535178"	622.507908	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+IsoProp+Na+H"	84.054008
"996159"	311.260776	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+2ACN+2H"	84.067652
"1597221"	623.422528	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+K+HCOOH"	84.968628
"1421788"	653.454038	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+H+CF3COOH"	115.000138
"1148798"	331.774051	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+3ACN+2H"	125.094202
"1702728"	670.480585	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+NH4+CF3COOH"	132.026685
"1636190"	675.43598	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+Na+CF3COOH"	136.98208
"1575124"	691.40992	"C19759"	"799-tricis-Neurosporene;799-tri-cis-Neurosporene"	"C40H58"	"538.4539"	"M+K+CF3COOH"	152.95602
"810959"	382.131	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M"	0
"976840"	363.11261	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H2O-H"	-19.01839
"63023"	253.746724	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-3H"	-3.021828
"507922"	381.123724	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-3H"	-3.021828
"880978"	126.369724	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-3H"	-3.021828
"2111"	381.123724	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H"	-2.014552
"441667"	572.189224	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H"	-2.014552
"818740"	190.058224	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H"	-2.014552
"82018"	763.254724	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-H"	-1.007276
"526685"	1145.385724	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-H"	-1.007276
"906670"	381.123724	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H"	-1.007276
"53391"	780.281271	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+NH4"	16.019271
"496236"	1162.412271	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+NH4"	16.019271
"869665"	398.150271	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+NH4"	16.019271
"39749"	785.236666	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+Na"	20.974666
"480401"	1167.367666	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+Na"	20.974666
"861495"	403.105666	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+Na"	20.974666
"1631034"	403.105666	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na-2H"	20.974666
"107556"	399.112063	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-H+Cl"	33.962126
"547118"	590.177563	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-H+Cl"	33.962126
"938451"	208.046563	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+Cl"	33.962126
"277007"	799.231402	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Cl"	34.969402
"669431"	1181.362402	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Cl"	34.969402
"1284749"	417.100402	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl"	34.969402
"23292"	801.210606	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M-2H+K"	36.948606
"460668"	1183.341606	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M-2H+K"	36.948606
"845030"	419.079606	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-2H+K"	36.948606
"1568518"	419.079606	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K-2H"	36.948606
"949840"	427.129194	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+HCOOH"	44.998194
"373162"	809.260201	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+HCOOH-H"	44.998201
"354491"	823.275851	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Hac-H"	59.013851
"1498585"	441.144851	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Hac-H"	59.013851
"962118"	449.111151	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+NaCOOH"	66.980151
"114673"	417.100402	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Cl"	69.938804
"553140"	608.165902	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Cl"	69.938804
"1023031"	226.034902	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Cl"	69.938804
"1243703"	461.049885	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Br"	78.918885
"1313081"	463.105872	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+HCOOH"	80.974872
"1330579"	485.087829	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+NaCOOH"	102.956829
"913616"	495.116586	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M-H+CF3COOH"	112.985586
"1293970"	531.093264	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Cl+CF3COOH"	148.962264
"1370309"	347.118324	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H-2H2O"	-35.012676
"1394004"	365.1283	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H-H2O"	-17.0027
"290409"	765.269276	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H"	1.007276
"685021"	1147.400276	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H"	1.007276
"1354443"	383.138276	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H"	1.007276
"127332"	383.138276	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2H"	2.014552
"567618"	574.203776	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2H"	2.014552
"1037631"	192.072776	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2H"	2.014552
"206138"	255.761276	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+3H"	3.021828
"647521"	383.138276	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+3H"	3.021828
"1164189"	128.384276	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3H"	3.021828
"426006"	782.295823	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+NH4"	18.033823
"790284"	1164.426823	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+NH4"	18.033823
"1690989"	400.164823	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4"	18.033823
"342917"	391.6515495	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+NH4"	19.041099
"732784"	582.7170495	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+NH4"	19.041099
"1491346"	200.5860495	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+NH4"	19.041099
"403103"	787.251218	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Na"	22.989218
"764100"	1169.382218	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Na"	22.989218
"1615479"	405.120218	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na"	22.989218
"327702"	394.129247	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+Na"	23.996494
"721096"	585.194747	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+Na"	23.996494
"1473945"	203.063747	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+Na"	23.996494
"1066098"	135.71159	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2H+Na"	25.00377
"1270333"	415.164486	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+CH3OH+H"	33.033486
"390734"	803.225158	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+K"	38.963158
"750635"	1185.356158	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+K"	38.963158
"1551594"	421.094158	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K"	38.963158
"313149"	402.116217	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+H+K"	39.970434
"702288"	593.181717	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+H+K"	39.970434
"1459028"	211.050717	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+K"	39.970434
"247630"	806.295826	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+ACN+H"	42.033826
"1223986"	424.164826	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+H"	42.033826
"1206044"	212.586051	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+2H"	43.041102
"201467"	809.23316	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Na-H"	44.97116
"641030"	1191.36416	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Na-H"	44.97116
"1146900"	427.10216	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Na-H"	44.97116
"188426"	405.120218	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2Na"	45.978436
"628372"	596.185718	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2Na"	45.978436
"1130416"	214.054718	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2Na"	45.978436
"1412109"	143.038904	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+2Na"	46.985712
"1442523"	429.143746	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+HCOOH"	47.012746
"232217"	410.15324	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+3H2O+2H"	56.04448
"1520278"	443.19579	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+IsoProp+H"	61.06479
"416683"	413.107188	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+Na+K"	61.952376
"781690"	604.172688	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+Na+K"	61.952376
"1675103"	222.041688	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+K"	61.952376
"259436"	828.277768	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+ACN+Na"	64.015768
"1232146"	446.146768	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+ACN+Na"	64.015768
"1726746"	446.170293	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4+HCOOH"	64.039293
"1193317"	150.366218	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3Na"	68.967654
"1663939"	451.125688	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+HCOOH"	68.994688
"165329"	841.18104	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2K-H"	76.91904
"609266"	1223.31204	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2K-H"	76.91904
"1099127"	459.05004	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K-H"	76.91904
"154967"	421.094158	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"2M+2K"	77.926316
"596599"	612.159658	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"3M+2K"	77.926316
"1083173"	230.028658	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K"	77.926316
"1110061"	461.064592	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2K+H"	78.933592
"1348632"	461.152207	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+DMSO+H"	79.021207
"1020201"	465.191376	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2ACN+H"	83.060376
"1533101"	466.185008	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+IsoProp+Na+H"	84.054008
"994082"	233.099326	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+2ACN+2H"	84.067652
"1597331"	467.099628	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K+HCOOH"	84.968628
"1421898"	497.131138	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+H+CF3COOH"	115.000138
"1154375"	253.612601	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+3ACN+2H"	125.094202
"1702838"	514.157685	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+NH4+CF3COOH"	132.026685
"1636301"	519.11308	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+Na+CF3COOH"	136.98208
"1575234"	535.08702	"C19760"	"(2Z6Z)-Farnesyl diphosphate"	"C15H28O7P2"	"382.131"	"M+K+CF3COOH"	152.95602
"811069"	463.1091	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M"	0
"979136"	444.09071	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-H2O-H"	-19.01839
"63729"	307.732124	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M-3H"	-3.021828
"508032"	462.101824	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M-3H"	-3.021828
"880845"	153.362424	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-3H"	-3.021828
"4408"	462.101824	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M-2H"	-2.014552
"440479"	693.656374	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M-2H"	-2.014552
"818852"	230.547274	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-2H"	-2.014552
"81397"	925.210924	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M-H"	-1.007276
"521321"	1388.320024	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M-H"	-1.007276
"904594"	462.101824	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-H"	-1.007276
"55687"	942.237471	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M-2H+NH4"	16.019271
"493061"	1405.346571	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M-2H+NH4"	16.019271
"874147"	479.128371	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-2H+NH4"	16.019271
"40952"	947.192866	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M-2H+Na"	20.974666
"480511"	1410.301966	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M-2H+Na"	20.974666
"863064"	484.083766	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-2H+Na"	20.974666
"1631509"	484.083766	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Na-2H"	20.974666
"107669"	480.090163	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M-H+Cl"	33.962126
"545041"	711.644713	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M-H+Cl"	33.962126
"938925"	248.535613	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-H+Cl"	33.962126
"277117"	961.187602	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+Cl"	34.969402
"670269"	1424.296702	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+Cl"	34.969402
"1284494"	498.078502	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Cl"	34.969402
"20122"	963.166806	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M-2H+K"	36.948606
"464058"	1426.275906	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M-2H+K"	36.948606
"845140"	500.057706	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-2H+K"	36.948606
"1568264"	500.057706	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+K-2H"	36.948606
"949950"	508.107294	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-H+HCOOH"	44.998194
"376068"	971.216401	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+HCOOH-H"	44.998201
"354237"	985.232051	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+Hac-H"	59.013851
"1501975"	522.122951	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Hac-H"	59.013851
"962592"	530.089251	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-H+NaCOOH"	66.980151
"114783"	498.078502	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+2Cl"	69.938804
"553249"	729.633052	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+2Cl"	69.938804
"1023262"	266.523952	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2Cl"	69.938804
"1244906"	542.027985	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Br"	78.918885
"1314284"	544.083972	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Cl+HCOOH"	80.974872
"1331782"	566.065929	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Cl+NaCOOH"	102.956829
"916642"	576.094686	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M-H+CF3COOH"	112.985586
"1297360"	612.071364	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Cl+CF3COOH"	148.962264
"1373335"	428.096424	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H-2H2O"	-35.012676
"1397273"	446.1064	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H-H2O"	-17.0027
"290519"	927.225476	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+H"	1.007276
"687317"	1390.334576	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+H"	1.007276
"1360385"	464.116376	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H"	1.007276
"132181"	464.116376	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+2H"	2.014552
"568822"	695.670926	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+2H"	2.014552
"1039444"	232.561826	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2H"	2.014552
"206252"	309.746676	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+3H"	3.021828
"647268"	464.116376	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+3H"	3.021828
"1166485"	155.376976	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+3H"	3.021828
"428300"	944.252023	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+NH4"	18.033823
"787108"	1407.361123	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+NH4"	18.033823
"1685629"	481.142923	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+NH4"	18.033823
"338282"	472.6296495	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+H+NH4"	19.041099
"731797"	704.1841995	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+H+NH4"	19.041099
"1481240"	241.0750995	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H+NH4"	19.041099
"398834"	949.207418	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+Na"	22.989218
"762017"	1412.316518	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+Na"	22.989218
"1609017"	486.098318	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Na"	22.989218
"320151"	475.107347	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+H+Na"	23.996494
"711475"	706.661897	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+H+Na"	23.996494
"1466389"	243.552797	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H+Na"	23.996494
"1066206"	162.70429	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2H+Na"	25.00377
"1267892"	496.142586	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+CH3OH+H"	33.033486
"390844"	965.181358	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+K"	38.963158
"748558"	1428.290458	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+K"	38.963158
"1551704"	502.072258	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+K"	38.963158
"314113"	483.094317	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+H+K"	39.970434
"703491"	714.648867	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+H+K"	39.970434
"1461194"	251.539767	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H+K"	39.970434
"249199"	968.252026	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+ACN+H"	42.033826
"1223001"	505.142926	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+ACN+H"	42.033826
"1206882"	253.075101	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+ACN+2H"	43.041102
"201575"	971.18936	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+2Na-H"	44.97116
"642232"	1434.29846	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+2Na-H"	44.97116
"1146767"	508.08026	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2Na-H"	44.97116
"187696"	486.098318	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+2Na"	45.978436
"627995"	717.652868	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+2Na"	45.978436
"1130527"	254.543768	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2Na"	45.978436
"1412826"	170.031604	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H+2Na"	46.985712
"1444335"	510.121846	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H+HCOOH"	47.012746
"233419"	491.13134	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+3H2O+2H"	56.04448
"1520388"	524.17389	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+IsoProp+H"	61.06479
"416793"	494.085288	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+Na+K"	61.952376
"781800"	725.639838	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+Na+K"	61.952376
"1673026"	262.530738	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Na+K"	61.952376
"260639"	990.233968	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+ACN+Na"	64.015768
"1235536"	527.124868	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+ACN+Na"	64.015768
"1726977"	527.148393	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+NH4+HCOOH"	64.039293
"1193426"	177.358918	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+3Na"	68.967654
"1664046"	532.103788	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Na+HCOOH"	68.994688
"165438"	1003.13724	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+2K-H"	76.91904
"612495"	1466.24634	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+2K-H"	76.91904
"1099605"	540.02814	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2K-H"	76.91904
"155077"	502.072258	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"2M+2K"	77.926316
"596789"	733.626808	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"3M+2K"	77.926316
"1083281"	270.517708	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2K"	77.926316
"1113331"	542.042692	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2K+H"	78.933592
"1350567"	542.130307	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+DMSO+H"	79.021207
"1020919"	546.169476	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2ACN+H"	83.060376
"1533211"	547.163108	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+IsoProp+Na+H"	84.054008
"999658"	273.588376	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+2ACN+2H"	84.067652
"1594161"	548.077728	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+K+HCOOH"	84.968628
"1422008"	578.109238	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+H+CF3COOH"	115.000138
"1152298"	294.101651	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+3ACN+2H"	125.094202
"1704041"	595.135785	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+NH4+CF3COOH"	132.026685
"1636411"	600.09118	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+Na+CF3COOH"	136.98208
"1575344"	616.06512	"C19761"	"1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate"	"C14H26NO14P"	"463.1091"	"M+K+CF3COOH"	152.95602
"811179"	625.1405	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M"	0
"977059"	606.12211	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-H2O-H"	-19.01839
"63041"	415.753057333333	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M-3H"	-3.021828
"508142"	624.133224	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M-3H"	-3.021828
"879939"	207.372890666667	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-3H"	-3.021828
"2332"	624.133224	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M-2H"	-2.014552
"440347"	936.703474	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M-2H"	-2.014552
"817299"	311.562974	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-2H"	-2.014552
"78829"	1249.273724	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M-H"	-1.007276
"518876"	1874.414224	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M-H"	-1.007276
"904704"	624.133224	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-H"	-1.007276
"53611"	1266.300271	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M-2H+NH4"	16.019271
"495358"	1891.440771	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M-2H+NH4"	16.019271
"875350"	641.159771	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-2H+NH4"	16.019271
"37783"	1271.255666	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M-2H+Na"	20.974666
"479528"	1896.396166	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M-2H+Na"	20.974666
"857337"	646.115166	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-2H+Na"	20.974666
"1630152"	646.115166	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Na-2H"	20.974666
"107779"	642.121563	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M-H+Cl"	33.962126
"544058"	954.691813	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M-H+Cl"	33.962126
"938306"	329.551313	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-H+Cl"	33.962126
"277956"	1285.250402	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+Cl"	34.969402
"671471"	1910.390902	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+Cl"	34.969402
"1284237"	660.109902	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Cl"	34.969402
"22418"	1287.229606	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M-2H+K"	36.948606
"464168"	1912.370106	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M-2H+K"	36.948606
"836865"	662.089106	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-2H+K"	36.948606
"1560718"	662.089106	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+K-2H"	36.948606
"950058"	670.138694	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-H+HCOOH"	44.998194
"372651"	1295.279201	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+HCOOH-H"	44.998201
"357626"	1309.294851	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+Hac-H"	59.013851
"1498804"	684.154351	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Hac-H"	59.013851
"963066"	692.120651	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-H+NaCOOH"	66.980151
"114529"	660.109902	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+2Cl"	69.938804
"554452"	972.680152	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+2Cl"	69.938804
"1025437"	347.539652	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2Cl"	69.938804
"1246110"	704.059385	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Br"	78.918885
"1316945"	706.115372	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Cl+HCOOH"	80.974872
"1332621"	728.097329	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Cl+NaCOOH"	102.956829
"916388"	738.126086	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M-H+CF3COOH"	112.985586
"1300386"	774.102764	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Cl+CF3COOH"	148.962264
"1373445"	590.127824	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H-2H2O"	-35.012676
"1397504"	608.1378	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H-H2O"	-17.0027
"291722"	1251.288276	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+H"	1.007276
"687063"	1876.428776	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+H"	1.007276
"1360495"	626.147776	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H"	1.007276
"132291"	626.147776	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+2H"	2.014552
"568568"	938.718026	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+2H"	2.014552
"1041740"	313.577526	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2H"	2.014552
"207455"	417.767609333333	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+3H"	3.021828
"647014"	626.147776	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+3H"	3.021828
"1164773"	209.387442666667	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+3H"	3.021828
"427317"	1268.314823	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+NH4"	18.033823
"786247"	1893.455323	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+NH4"	18.033823
"1685739"	643.174323	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+NH4"	18.033823
"336205"	634.6610495	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+H+NH4"	19.041099
"729721"	947.2312995	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+H+NH4"	19.041099
"1479163"	322.0907995	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H+NH4"	19.041099
"397851"	1273.270218	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+Na"	22.989218
"759940"	1898.410718	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+Na"	22.989218
"1608034"	648.129718	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Na"	22.989218
"320260"	637.138747	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+H+Na"	23.996494
"712679"	949.708997	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+H+Na"	23.996494
"1466499"	324.568497	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H+Na"	23.996494
"1059744"	216.714756666667	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2H+Na"	25.00377
"1265807"	658.173986	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+CH3OH+H"	33.033486
"386569"	1289.244158	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+K"	38.963158
"749759"	1914.384658	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+K"	38.963158
"1548530"	664.103658	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+K"	38.963158
"303517"	645.125717	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+H+K"	39.970434
"698127"	957.695967	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+H+K"	39.970434
"1454133"	332.555467	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H+K"	39.970434
"246019"	1292.314826	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+ACN+H"	42.033826
"1220913"	667.174326	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+ACN+H"	42.033826
"1206983"	334.090801	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+ACN+2H"	43.041102
"198760"	1295.25216	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+2Na-H"	44.97116
"640512"	1920.39266	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+2Na-H"	44.97116
"1144387"	670.11166	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2Na-H"	44.97116
"185123"	648.129718	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+2Na"	45.978436
"627237"	960.699968	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+2Na"	45.978436
"1131195"	335.559468	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2Na"	45.978436
"1412809"	224.042070666667	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H+2Na"	46.985712
"1441647"	672.153246	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H+HCOOH"	47.012746
"230248"	653.16274	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+3H2O+2H"	56.04448
"1521589"	686.20529	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+IsoProp+H"	61.06479
"419088"	656.116688	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+Na+K"	61.952376
"783363"	968.686938	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+Na+K"	61.952376
"1673135"	343.546438	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Na+K"	61.952376
"256374"	1314.296768	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+ACN+Na"	64.015768
"1232363"	689.156268	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+ACN+Na"	64.015768
"1725629"	689.179793	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+NH4+HCOOH"	64.039293
"1189887"	231.369384666667	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+3Na"	68.967654
"1664155"	694.135188	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Na+HCOOH"	68.994688
"165548"	1327.20004	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+2K-H"	76.91904
"611307"	1952.34054	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+2K-H"	76.91904
"1099588"	702.05954	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2K-H"	76.91904
"149718"	664.103658	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"2M+2K"	77.926316
"595599"	976.673908	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"3M+2K"	77.926316
"1083027"	351.533408	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2K"	77.926316
"1110282"	704.074092	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2K+H"	78.933592
"1348852"	704.161707	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+DMSO+H"	79.021207
"1018475"	708.200876	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2ACN+H"	83.060376
"1533321"	709.194508	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+IsoProp+Na+H"	84.054008
"999768"	354.604076	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+2ACN+2H"	84.067652
"1598645"	710.109128	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+K+HCOOH"	84.968628
"1422118"	740.140638	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+H+CF3COOH"	115.000138
"1152409"	375.117351	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+3ACN+2H"	125.094202
"1703058"	757.167185	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+NH4+CF3COOH"	132.026685
"1636885"	762.12258	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+Na+CF3COOH"	136.98208
"1575454"	778.09652	"C19762"	"Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside"	"C27H29O17"	"625.1405"	"M+K+CF3COOH"	152.95602
"808009"	634.4081	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M"	0
"978263"	615.38971	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-H2O-H"	-19.01839
"62999"	421.931457333333	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M-3H"	-3.021828
"508253"	633.400824	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M-3H"	-3.021828
"880705"	210.462090666667	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-3H"	-3.021828
"2442"	633.400824	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M-2H"	-2.014552
"441998"	950.604874	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M-2H"	-2.014552
"818344"	316.196774	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-2H"	-2.014552
"79309"	1267.808924	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M-H"	-1.007276
"519599"	1902.217024	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M-H"	-1.007276
"907001"	633.400824	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-H"	-1.007276
"55908"	1284.835471	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M-2H+NH4"	16.019271
"497655"	1919.243571	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M-2H+NH4"	16.019271
"871087"	650.427371	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-2H+NH4"	16.019271
"40079"	1289.790866	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M-2H+Na"	20.974666
"474172"	1924.198966	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M-2H+Na"	20.974666
"853068"	655.382766	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-2H+Na"	20.974666
"1632814"	655.382766	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Na-2H"	20.974666
"106432"	651.389163	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M-H+Cl"	33.962126
"545627"	968.593213	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M-H+Cl"	33.962126
"938416"	334.185113	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-H+Cl"	33.962126
"277337"	1303.785602	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+Cl"	34.969402
"670488"	1938.193702	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+Cl"	34.969402
"1283620"	669.377502	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Cl"	34.969402
"20706"	1305.764806	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M-2H+K"	36.948606
"464278"	1940.172906	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M-2H+K"	36.948606
"836246"	671.356706	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-2H+K"	36.948606
"1561921"	671.356706	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+K-2H"	36.948606
"948345"	679.406294	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-H+HCOOH"	44.998194
"369481"	1313.814401	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+HCOOH-H"	44.998201
"354456"	1327.830051	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+Hac-H"	59.013851
"1499278"	693.421951	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Hac-H"	59.013851
"963176"	701.388251	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-H+NaCOOH"	66.980151
"113544"	669.377502	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+2Cl"	69.938804
"556022"	986.581552	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+2Cl"	69.938804
"1023360"	352.173452	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2Cl"	69.938804
"1247313"	713.326985	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Br"	78.918885
"1309763"	715.382972	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Cl+HCOOH"	80.974872
"1332731"	737.364929	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Cl+NaCOOH"	102.956829
"916862"	747.393686	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M-H+CF3COOH"	112.985586
"1297580"	783.370364	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Cl+CF3COOH"	148.962264
"1373555"	599.395424	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H-2H2O"	-35.012676
"1397860"	617.4054	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H-H2O"	-17.0027
"293655"	1269.823476	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+H"	1.007276
"688267"	1904.231576	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+H"	1.007276
"1360605"	635.415376	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H"	1.007276
"132401"	635.415376	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+2H"	2.014552
"569772"	952.619426	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+2H"	2.014552
"1040757"	318.211326	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2H"	2.014552
"206836"	423.946009333333	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+3H"	3.021828
"649310"	635.415376	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+3H"	3.021828
"1166341"	212.476642666667	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+3H"	3.021828
"428520"	1286.850023	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+NH4"	18.033823
"788421"	1921.258123	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+NH4"	18.033823
"1682934"	652.441923	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+NH4"	18.033823
"334128"	643.9286495	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+H+NH4"	19.041099
"728736"	961.1326995	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+H+NH4"	19.041099
"1478422"	326.7245995	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H+NH4"	19.041099
"396863"	1291.805418	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+Na"	22.989218
"762235"	1926.213518	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+Na"	22.989218
"1608144"	657.397318	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Na"	22.989218
"322555"	646.406347	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+H+Na"	23.996494
"709509"	963.610397	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+H+Na"	23.996494
"1465516"	329.202297	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H+Na"	23.996494
"1058761"	219.803956666667	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2H+Na"	25.00377
"1265916"	667.441586	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+CH3OH+H"	33.033486
"385586"	1307.779358	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+K"	38.963158
"749863"	1942.187458	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+K"	38.963158
"1551920"	673.371258	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+K"	38.963158
"308000"	654.393317	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+H+K"	39.970434
"698237"	971.597367	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+H+K"	39.970434
"1452056"	337.189267	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H+K"	39.970434
"246130"	1310.850026	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+ACN+H"	42.033826
"1219930"	676.441926	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+ACN+H"	42.033826
"1206000"	338.724601	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+ACN+2H"	43.041102
"197776"	1313.78736	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+2Na-H"	44.97116
"640623"	1948.19546	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+2Na-H"	44.97116
"1144859"	679.37926	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2Na-H"	44.97116
"188273"	657.397318	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+2Na"	45.978436
"627709"	974.601368	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+2Na"	45.978436
"1130490"	340.193268	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2Na"	45.978436
"1413284"	227.131270666667	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H+2Na"	46.985712
"1444309"	681.420846	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H+HCOOH"	47.012746
"231451"	662.43034	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+3H2O+2H"	56.04448
"1521698"	695.47289	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+IsoProp+H"	61.06479
"422478"	665.384288	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+Na+K"	61.952376
"783109"	982.588338	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+Na+K"	61.952376
"1675432"	348.180238	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Na+K"	61.952376
"256484"	1332.831968	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+ACN+Na"	64.015768
"1230286"	698.423868	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+ACN+Na"	64.015768
"1726102"	698.447393	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+NH4+HCOOH"	64.039293
"1189997"	234.458584666667	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+3Na"	68.967654
"1663172"	703.402788	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Na+HCOOH"	68.994688
"165658"	1345.73524	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+2K-H"	76.91904
"612106"	1980.14334	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+2K-H"	76.91904
"1095199"	711.32714	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2K-H"	76.91904
"148734"	673.371258	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"2M+2K"	77.926316
"595465"	990.575308	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"3M+2K"	77.926316
"1077181"	356.167208	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2K"	77.926316
"1111485"	713.341692	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2K+H"	78.933592
"1348962"	713.429307	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+DMSO+H"	79.021207
"1016398"	717.468476	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2ACN+H"	83.060376
"1533431"	718.462108	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+IsoProp+Na+H"	84.054008
"999878"	359.237876	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+2ACN+2H"	84.067652
"1597661"	719.376728	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+K+HCOOH"	84.968628
"1422228"	749.408238	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+H+CF3COOH"	115.000138
"1152519"	379.751151	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+3ACN+2H"	125.094202
"1704261"	766.434785	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+NH4+CF3COOH"	132.026685
"1636995"	771.39018	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+Na+CF3COOH"	136.98208
"1575564"	787.36412	"C19763"	"Soyasapogenol B 3-O-D-glucuronide;Soyasapogenol B 3-O-beta-D-glucuronide"	"C36H58O9"	"634.4081"	"M+K+CF3COOH"	152.95602
"809212"	540.4695	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M"	0
"974468"	521.45111	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-H2O-H"	-19.01839
"63444"	359.305724	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M-3H"	-3.021828
"507269"	539.462224	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M-3H"	-3.021828
"880935"	179.149224	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-3H"	-3.021828
"3645"	539.462224	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H"	-2.014552
"443202"	809.696974	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H"	-2.014552
"821006"	269.227474	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H"	-2.014552
"79904"	1079.931724	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M-H"	-1.007276
"520560"	1620.401224	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M-H"	-1.007276
"903831"	539.462224	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-H"	-1.007276
"52738"	1096.958271	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H+NH4"	16.019271
"492298"	1637.427771	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H+NH4"	16.019271
"870104"	556.488771	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H+NH4"	16.019271
"35815"	1101.913666	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H+Na"	20.974666
"475374"	1642.383166	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H+Na"	20.974666
"850990"	561.444166	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H+Na"	20.974666
"1630372"	561.444166	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na-2H"	20.974666
"106543"	557.450563	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M-H+Cl"	33.962126
"545373"	827.685313	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M-H+Cl"	33.962126
"935610"	287.215813	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+Cl"	33.962126
"274896"	1115.908402	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Cl"	34.969402
"666587"	1656.377902	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+Cl"	34.969402
"1282270"	575.438902	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl"	34.969402
"23732"	1117.887606	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M-2H+K"	36.948606
"461836"	1658.357106	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M-2H+K"	36.948606
"835263"	577.418106	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-2H+K"	36.948606
"1562761"	577.418106	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+K-2H"	36.948606
"948821"	585.467694	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+HCOOH"	44.998194
"367039"	1125.937201	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+HCOOH-H"	44.998201
"350190"	1139.952851	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Hac-H"	59.013851
"1494284"	599.483351	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Hac-H"	59.013851
"959275"	607.449651	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+NaCOOH"	66.980151
"111831"	575.438902	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2Cl"	69.938804
"555766"	845.673652	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2Cl"	69.938804
"1023470"	305.204152	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2Cl"	69.938804
"1244871"	619.388385	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Br"	78.918885
"1310238"	621.444372	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl+HCOOH"	80.974872
"1331019"	643.426329	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl+NaCOOH"	102.956829
"916608"	653.455086	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M-H+CF3COOH"	112.985586
"1297690"	689.431764	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Cl+CF3COOH"	148.962264
"1371842"	505.456824	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H-2H2O"	-35.012676
"1395901"	523.4668	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H-H2O"	-17.0027
"293765"	1081.946276	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H"	1.007276
"689106"	1622.415776	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H"	1.007276
"1360715"	541.476776	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H"	1.007276
"132511"	541.476776	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2H"	2.014552
"568059"	811.711526	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2H"	2.014552
"1040868"	271.242026	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2H"	2.014552
"209860"	361.320276	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+3H"	3.021828
"650513"	541.476776	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+3H"	3.021828
"1165358"	181.163776	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+3H"	3.021828
"426807"	1098.972823	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+NH4"	18.033823
"788530"	1639.442323	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+NH4"	18.033823
"1683773"	558.503323	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+NH4"	18.033823
"335331"	549.9900495	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H+NH4"	19.041099
"727753"	820.2247995	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H+NH4"	19.041099
"1481570"	279.7552995	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+NH4"	19.041099
"396973"	1103.928218	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Na"	22.989218
"757971"	1644.397718	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+Na"	22.989218
"1606066"	563.458718	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na"	22.989218
"319385"	552.467747	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H+Na"	23.996494
"710712"	822.702497	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H+Na"	23.996494
"1464533"	282.232997	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+Na"	23.996494
"1057777"	188.49109	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2H+Na"	25.00377
"1266025"	573.502986	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+CH3OH+H"	33.033486
"388973"	1119.902158	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+K"	38.963158
"751795"	1660.371658	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+K"	38.963158
"1547651"	579.432658	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+K"	38.963158
"307017"	560.454717	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+H+K"	39.970434
"696161"	830.689467	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+H+K"	39.970434
"1452166"	290.219967	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+K"	39.970434
"245147"	1122.972826	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+ACN+H"	42.033826
"1217854"	582.503326	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+ACN+H"	42.033826
"1203924"	291.755301	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+ACN+2H"	43.041102
"197886"	1125.91016	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2Na-H"	44.97116
"640368"	1666.37966	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2Na-H"	44.97116
"1143876"	585.44066	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2Na-H"	44.97116
"187655"	563.458718	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2Na"	45.978436
"626363"	833.693468	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2Na"	45.978436
"1129871"	293.223968	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2Na"	45.978436
"1413518"	195.818404	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+2Na"	46.985712
"1444054"	587.482246	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+HCOOH"	47.012746
"229374"	568.49174	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+3H2O+2H"	56.04448
"1518164"	601.53429	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+IsoProp+H"	61.06479
"420765"	571.445688	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+Na+K"	61.952376
"780302"	841.680438	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+Na+K"	61.952376
"1672262"	301.210938	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na+K"	61.952376
"255500"	1144.954768	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+ACN+Na"	64.015768
"1229301"	604.485268	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+ACN+Na"	64.015768
"1722565"	604.508793	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+NH4+HCOOH"	64.039293
"1189014"	203.145718	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+3Na"	68.967654
"1662189"	609.464188	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na+HCOOH"	68.994688
"162488"	1157.85804	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2K-H"	76.91904
"609703"	1698.32754	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2K-H"	76.91904
"1095309"	617.38854	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2K-H"	76.91904
"145564"	579.432658	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"2M+2K"	77.926316
"594724"	849.667408	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"3M+2K"	77.926316
"1077291"	309.197908	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2K"	77.926316
"1111595"	619.403092	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2K+H"	78.933592
"1347979"	619.490707	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+DMSO+H"	79.021207
"1014322"	623.529876	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2ACN+H"	83.060376
"1533541"	624.523508	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+IsoProp+Na+H"	84.054008
"999988"	312.268576	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+2ACN+2H"	84.067652
"1596678"	625.438128	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+K+HCOOH"	84.968628
"1422338"	655.469638	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+H+CF3COOH"	115.000138
"1155909"	332.781851	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+3ACN+2H"	125.094202
"1704371"	672.496185	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+NH4+CF3COOH"	132.026685
"1636741"	677.45158	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+Na+CF3COOH"	136.98208
"1575674"	693.42552	"C19764"	"9159-tricis-zeta-Carotene"	"C40H60"	"540.4695"	"M+K+CF3COOH"	152.95602
"811509"	542.4852	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M"	0
"974998"	523.46681	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-H2O-H"	-19.01839
"63682"	360.649524	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M-3H"	-3.021828
"505192"	541.477924	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M-3H"	-3.021828
"880676"	179.821124	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-3H"	-3.021828
"1081"	541.477924	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M-2H"	-2.014552
"443312"	812.720524	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M-2H"	-2.014552
"821116"	270.235324	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-2H"	-2.014552
"81108"	1083.963124	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M-H"	-1.007276
"522128"	1626.448324	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M-H"	-1.007276
"903941"	541.477924	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-H"	-1.007276
"49568"	1100.989671	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M-2H+NH4"	16.019271
"491314"	1643.474871	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M-2H+NH4"	16.019271
"873494"	558.504471	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-2H+NH4"	16.019271
"35926"	1105.945066	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M-2H+Na"	20.974666
"476578"	1648.430266	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M-2H+Na"	20.974666
"850372"	563.459866	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-2H+Na"	20.974666
"1631575"	563.459866	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Na-2H"	20.974666
"107746"	559.466263	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M-H+Cl"	33.962126
"545119"	830.708863	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M-H+Cl"	33.962126
"934627"	288.223663	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-H+Cl"	33.962126
"276098"	1119.939802	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+Cl"	34.969402
"668154"	1662.425002	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+Cl"	34.969402
"1281286"	577.454602	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Cl"	34.969402
"24935"	1121.919006	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M-2H+K"	36.948606
"461946"	1664.404206	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M-2H+K"	36.948606
"836466"	579.433806	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-2H+K"	36.948606
"1563235"	579.433806	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+K-2H"	36.948606
"948931"	587.483394	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-H+HCOOH"	44.998194
"367513"	1129.968601	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+HCOOH-H"	44.998201
"350300"	1143.984251	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+Hac-H"	59.013851
"1495123"	601.499051	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Hac-H"	59.013851
"959384"	609.465351	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-H+NaCOOH"	66.980151
"110723"	577.454602	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+2Cl"	69.938804
"555512"	848.697202	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+2Cl"	69.938804
"1021355"	306.212002	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2Cl"	69.938804
"1241482"	621.404085	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Br"	78.918885
"1304257"	623.460072	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Cl+HCOOH"	80.974872
"1331125"	645.442029	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Cl+NaCOOH"	102.956829
"914893"	655.470786	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M-H+CF3COOH"	112.985586
"1292695"	691.447464	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Cl+CF3COOH"	148.962264
"1377054"	507.472524	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H-2H2O"	-35.012676
"1393094"	525.4825	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H-H2O"	-17.0027
"290594"	1085.977676	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+H"	1.007276
"687755"	1628.462876	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+H"	1.007276
"1360825"	543.492476	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H"	1.007276
"132621"	543.492476	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+2H"	2.014552
"568168"	814.735076	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+2H"	2.014552
"1042071"	272.249876	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2H"	2.014552
"205962"	362.664076	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+3H"	3.021828
"646251"	543.492476	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+3H"	3.021828
"1164374"	181.835676	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+3H"	3.021828
"425458"	1103.004223	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+NH4"	18.033823
"789733"	1645.489423	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+NH4"	18.033823
"1682790"	560.519023	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+NH4"	18.033823
"335441"	552.0057495	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+H+NH4"	19.041099
"728956"	823.2483495	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+H+NH4"	19.041099
"1480587"	280.7631495	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H+NH4"	19.041099
"397083"	1107.959618	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+Na"	22.989218
"759173"	1650.444818	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+Na"	22.989218
"1608365"	565.474418	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Na"	22.989218
"319495"	554.483447	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+H+Na"	23.996494
"714103"	825.726047	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+H+Na"	23.996494
"1467924"	283.240847	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H+Na"	23.996494
"1054728"	189.16299	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2H+Na"	25.00377
"1265042"	575.518686	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+CH3OH+H"	33.033486
"387990"	1123.933558	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+K"	38.963158
"750082"	1666.418758	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+K"	38.963158
"1548854"	581.448358	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+K"	38.963158
"307127"	562.470417	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+H+K"	39.970434
"695178"	833.713017	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+H+K"	39.970434
"1452276"	291.227817	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H+K"	39.970434
"241977"	1127.004226	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+ACN+H"	42.033826
"1215777"	584.519026	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+ACN+H"	42.033826
"1204034"	292.763151	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+ACN+2H"	43.041102
"194716"	1129.94156	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+2Na-H"	44.97116
"639749"	1672.42676	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+2Na-H"	44.97116
"1146174"	587.45636	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2Na-H"	44.97116
"186913"	565.474418	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+2Na"	45.978436
"627201"	836.717018	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+2Na"	45.978436
"1130591"	294.231818	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2Na"	45.978436
"1413755"	196.490304	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H+2Na"	46.985712
"1445219"	589.497946	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H+HCOOH"	47.012746
"229484"	570.50744	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+3H2O+2H"	56.04448
"1520096"	603.54999	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+IsoProp+H"	61.06479
"414679"	573.461388	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+Na+K"	61.952376
"779684"	844.703988	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+Na+K"	61.952376
"1674194"	302.218788	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Na+K"	61.952376
"256703"	1148.986168	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+ACN+Na"	64.015768
"1229412"	606.500968	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+ACN+Na"	64.015768
"1719395"	606.524493	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+NH4+HCOOH"	64.039293
"1181469"	203.817618	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+3Na"	68.967654
"1664243"	611.479888	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Na+HCOOH"	68.994688
"162598"	1161.88944	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+2K-H"	76.91904
"609813"	1704.37464	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+2K-H"	76.91904
"1095419"	619.40424	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2K-H"	76.91904
"143487"	581.448358	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"2M+2K"	77.926316
"588515"	852.690958	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"3M+2K"	77.926316
"1079588"	310.205758	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2K"	77.926316
"1110612"	621.418792	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2K+H"	78.933592
"1349182"	621.506407	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+DMSO+H"	79.021207
"1014432"	625.545576	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2ACN+H"	83.060376
"1538025"	626.539208	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+IsoProp+Na+H"	84.054008
"1000098"	313.276426	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+2ACN+2H"	84.067652
"1596789"	627.453828	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+K+HCOOH"	84.968628
"1422448"	657.485338	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+H+CF3COOH"	115.000138
"1159299"	333.789701	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+3ACN+2H"	125.094202
"1705574"	674.511885	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+NH4+CF3COOH"	132.026685
"1634297"	679.46728	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+Na+CF3COOH"	136.98208
"1575784"	695.44122	"C19765"	"159-dicis-Phytofluene"	"C40H62"	"542.4852"	"M+K+CF3COOH"	152.95602
"811619"	269.0924	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M"	0
"975677"	250.07401	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-H2O-H"	-19.01839
"65742"	178.387657333333	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M-3H"	-3.021828
"507489"	268.085124	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M-3H"	-3.021828
"880914"	88.6901906666667	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-3H"	-3.021828
"1678"	268.085124	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M-2H"	-2.014552
"441237"	402.631324	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M-2H"	-2.014552
"820133"	133.538924	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-2H"	-2.014552
"80125"	537.177524	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M-H"	-1.007276
"520779"	806.269924	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M-H"	-1.007276
"902958"	268.085124	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-H"	-1.007276
"49678"	554.204071	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M-2H+NH4"	16.019271
"492517"	823.296471	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M-2H+NH4"	16.019271
"870320"	285.111671	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-2H+NH4"	16.019271
"37129"	559.159466	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M-2H+Na"	20.974666
"479969"	828.251866	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M-2H+Na"	20.974666
"854489"	290.067066	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-2H+Na"	20.974666
"1631685"	290.067066	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Na-2H"	20.974666
"101654"	286.073463	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M-H+Cl"	33.962126
"545592"	420.619663	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M-H+Cl"	33.962126
"934733"	151.527263	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-H+Cl"	33.962126
"274384"	573.154202	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+Cl"	34.969402
"665710"	842.246602	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+Cl"	34.969402
"1282489"	304.061802	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Cl"	34.969402
"17753"	575.133406	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M-2H+K"	36.948606
"463149"	844.225806	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M-2H+K"	36.948606
"838764"	306.041006	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-2H+K"	36.948606
"1563710"	306.041006	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+K-2H"	36.948606
"953781"	314.090594	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-H+HCOOH"	44.998194
"373091"	583.183001	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+HCOOH-H"	44.998201
"350410"	597.198651	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+Hac-H"	59.013851
"1495597"	328.106251	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Hac-H"	59.013851
"963141"	336.072551	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-H+NaCOOH"	66.980151
"113143"	304.061802	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+2Cl"	69.938804
"555258"	438.608002	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+2Cl"	69.938804
"1022960"	169.515602	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2Cl"	69.938804
"1241475"	348.011285	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Br"	78.918885
"1306081"	350.067272	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Cl+HCOOH"	80.974872
"1327954"	372.049229	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Cl+NaCOOH"	102.956829
"912814"	382.077986	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M-H+CF3COOH"	112.985586
"1291711"	418.054664	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Cl+CF3COOH"	148.962264
"1372790"	234.079724	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H-2H2O"	-35.012676
"1390288"	252.0897	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H-H2O"	-17.0027
"290340"	539.192076	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+H"	1.007276
"684585"	808.284476	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+H"	1.007276
"1363122"	270.099676	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H"	1.007276
"136012"	270.099676	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+2H"	2.014552
"568279"	404.645876	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+2H"	2.014552
"1037686"	135.553476	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2H"	2.014552
"204327"	180.402209333333	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+3H"	3.021828
"644578"	270.099676	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+3H"	3.021828
"1164120"	90.7047426666667	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+3H"	3.021828
"424323"	556.218623	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+NH4"	18.033823
"788751"	825.311023	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+NH4"	18.033823
"1686174"	287.126223	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+NH4"	18.033823
"334458"	278.6129495	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+H+NH4"	19.041099
"726879"	413.1591495	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+H+NH4"	19.041099
"1479604"	144.0667495	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H+NH4"	19.041099
"395006"	561.174018	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+Na"	22.989218
"758190"	830.266418	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+Na"	22.989218
"1608474"	292.081618	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Na"	22.989218
"317417"	281.090647	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+H+Na"	23.996494
"714213"	415.636847	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+H+Na"	23.996494
"1469127"	146.544447	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H+Na"	23.996494
"1059092"	98.0320566666667	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2H+Na"	25.00377
"1264059"	302.125886	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+CH3OH+H"	33.033486
"383728"	577.147958	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+K"	38.963158
"746912"	846.240358	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+K"	38.963158
"1545683"	308.055558	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+K"	38.963158
"302859"	289.077617	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+H+K"	39.970434
"696376"	423.623817	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+H+K"	39.970434
"1451288"	154.531417	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H+K"	39.970434
"243179"	580.218626	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+ACN+H"	42.033826
"1218073"	311.126226	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+ACN+H"	42.033826
"1197582"	156.066751	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+ACN+2H"	43.041102
"192637"	583.15596	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+2Na-H"	44.97116
"639129"	852.24836	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+2Na-H"	44.97116
"1145919"	314.06356	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2Na-H"	44.97116
"188119"	292.081618	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+2Na"	45.978436
"627310"	426.627818	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+2Na"	45.978436
"1131067"	157.535418	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2Na"	45.978436
"1413133"	105.359370666667	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H+2Na"	46.985712
"1445403"	316.105146	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H+HCOOH"	47.012746
"233969"	297.11464	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+3H2O+2H"	56.04448
"1521300"	330.15719	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+IsoProp+H"	61.06479
"420987"	300.068588	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+Na+K"	61.952376
"784169"	434.614788	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+Na+K"	61.952376
"1674666"	165.522388	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Na+K"	61.952376
"259729"	602.200568	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+ACN+Na"	64.015768
"1234990"	333.108168	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+ACN+Na"	64.015768
"1720597"	333.131693	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+NH4+HCOOH"	64.039293
"1184859"	112.686684666667	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+3Na"	68.967654
"1664595"	338.087088	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Na+HCOOH"	68.994688
"172065"	615.10384	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+2K-H"	76.91904
"608829"	884.19624	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+2K-H"	76.91904
"1095529"	346.01144	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2K-H"	76.91904
"149065"	308.055558	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"2M+2K"	77.926316
"592999"	442.601758	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"3M+2K"	77.926316
"1077512"	173.509358	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2K"	77.926316
"1110724"	348.025992	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2K+H"	78.933592
"1347107"	348.113607	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+DMSO+H"	79.021207
"1016730"	352.152776	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2ACN+H"	83.060376
"1537042"	353.146408	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+IsoProp+Na+H"	84.054008
"998022"	176.580026	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+2ACN+2H"	84.067652
"1594712"	354.061028	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+K+HCOOH"	84.968628
"1421463"	384.092538	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+H+CF3COOH"	115.000138
"1152848"	197.093301	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+3ACN+2H"	125.094202
"1705684"	401.119085	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+NH4+CF3COOH"	132.026685
"1636961"	406.07448	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+Na+CF3COOH"	136.98208
"1575894"	422.04842	"C19766"	"5-Deoxy-5-fluoroadenosine"	"C10H12FN5O3"	"269.0924"	"M+K+CF3COOH"	152.95602
"811729"	272.1525	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M"	0
"978704"	253.13411	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H2O-H"	-19.01839
"64758"	180.427724	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-3H"	-3.021828
"502945"	271.145224	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-3H"	-3.021828
"880659"	89.710224	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-3H"	-3.021828
"1787"	271.145224	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H"	-2.014552
"443532"	407.221474	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H"	-2.014552
"821334"	135.068974	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H"	-2.014552
"82422"	543.297724	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-H"	-1.007276
"521982"	815.450224	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-H"	-1.007276
"897600"	271.145224	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H"	-1.007276
"51970"	560.324271	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+NH4"	16.019271
"491530"	832.476771	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+NH4"	16.019271
"867150"	288.171771	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+NH4"	16.019271
"36146"	565.279666	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+Na"	20.974666
"477892"	837.432166	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+Na"	20.974666
"851319"	293.127166	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+Na"	20.974666
"1631795"	293.127166	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na-2H"	20.974666
"101764"	289.133563	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-H+Cl"	33.962126
"545701"	425.209813	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-H+Cl"	33.962126
"935936"	153.057313	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+Cl"	33.962126
"274493"	579.274402	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Cl"	34.969402
"672382"	851.426902	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+Cl"	34.969402
"1283692"	307.121902	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl"	34.969402
"17621"	581.253606	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M-2H+K"	36.948606
"462531"	853.406106	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M-2H+K"	36.948606
"839239"	309.101106	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-2H+K"	36.948606
"1560905"	309.101106	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K-2H"	36.948606
"953891"	317.150694	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+HCOOH"	44.998194
"374294"	589.303201	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+HCOOH-H"	44.998201
"349063"	603.318851	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Hac-H"	59.013851
"1495707"	331.166351	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Hac-H"	59.013851
"961795"	339.132651	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+NaCOOH"	66.980151
"112525"	307.121902	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Cl"	69.938804
"550748"	443.198152	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Cl"	69.938804
"1021402"	171.045652	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2Cl"	69.938804
"1242074"	351.071385	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Br"	78.918885
"1304279"	353.127372	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+HCOOH"	80.974872
"1326971"	375.109329	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+NaCOOH"	102.956829
"914748"	385.138086	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M-H+CF3COOH"	112.985586
"1289267"	421.114764	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Cl+CF3COOH"	148.962264
"1369251"	237.139824	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H-2H2O"	-35.012676
"1390397"	255.1498	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H-H2O"	-17.0027
"285344"	545.312276	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H"	1.007276
"681412"	817.464776	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H"	1.007276
"1363596"	273.159776	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H"	1.007276
"132841"	273.159776	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2H"	2.014552
"571307"	409.236026	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2H"	2.014552
"1038161"	137.083526	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2H"	2.014552
"204371"	182.442276	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+3H"	3.021828
"644526"	273.159776	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+3H"	3.021828
"1164230"	91.724776	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+3H"	3.021828
"424301"	562.338823	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+NH4"	18.033823
"789953"	834.491323	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+NH4"	18.033823
"1687377"	290.186323	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4"	18.033823
"331288"	281.6730495	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+NH4"	19.041099
"728082"	417.7492995	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+NH4"	19.041099
"1481901"	145.5967995	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+NH4"	19.041099
"396209"	567.294218	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Na"	22.989218
"758297"	839.446718	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+Na"	22.989218
"1606398"	295.141718	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na"	22.989218
"316434"	284.150747	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+Na"	23.996494
"708854"	420.226997	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+Na"	23.996494
"1467051"	148.074497	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+Na"	23.996494
"1055923"	99.05209	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2H+Na"	25.00377
"1265261"	305.185986	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+CH3OH+H"	33.033486
"384931"	583.268158	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+K"	38.963158
"747022"	855.420658	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+K"	38.963158
"1545793"	311.115658	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K"	38.963158
"301510"	292.137717	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+H+K"	39.970434
"696485"	428.213967	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+H+K"	39.970434
"1446297"	156.061467	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+K"	39.970434
"244382"	586.338826	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+ACN+H"	42.033826
"1218183"	314.186326	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+H"	42.033826
"1198785"	157.596801	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+2H"	43.041102
"190195"	589.27616	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Na-H"	44.97116
"638510"	861.42866	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Na-H"	44.97116
"1144936"	317.12366	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2Na-H"	44.97116
"187133"	295.141718	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2Na"	45.978436
"627667"	431.217968	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2Na"	45.978436
"1131184"	159.065468	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2Na"	45.978436
"1413895"	106.379404	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+2Na"	46.985712
"1445119"	319.165246	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+HCOOH"	47.012746
"229703"	300.17474	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+3H2O+2H"	56.04448
"1522748"	333.21729	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+IsoProp+H"	61.06479
"419639"	303.128688	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+Na+K"	61.952376
"783915"	439.204938	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+Na+K"	61.952376
"1673683"	167.052438	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+K"	61.952376
"260203"	608.320768	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+ACN+Na"	64.015768
"1235100"	336.168268	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+ACN+Na"	64.015768
"1718521"	336.191793	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4+HCOOH"	64.039293
"1184969"	113.706718	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+3Na"	68.967654
"1664584"	341.147188	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+HCOOH"	68.994688
"169379"	621.22404	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2K-H"	76.91904
"608939"	893.37654	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2K-H"	76.91904
"1092358"	349.07154	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2K-H"	76.91904
"145894"	311.115658	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"2M+2K"	77.926316
"592016"	447.191908	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"3M+2K"	77.926316
"1075435"	175.039408	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2K"	77.926316
"1108646"	351.086092	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2K+H"	78.933592
"1348311"	351.173707	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+DMSO+H"	79.021207
"1016839"	355.212876	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2ACN+H"	83.060376
"1537152"	356.206508	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+IsoProp+Na+H"	84.054008
"997039"	178.110076	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+2ACN+2H"	84.067652
"1601382"	357.121128	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K+HCOOH"	84.968628
"1422666"	387.152638	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+H+CF3COOH"	115.000138
"1156238"	198.623351	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+3ACN+2H"	125.094202
"1700327"	404.179185	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+NH4+CF3COOH"	132.026685
"1638164"	409.13458	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+Na+CF3COOH"	136.98208
"1576004"	425.10852	"C19767"	"7-(3-Methylbut-2-enyl)-L-tryptophan"	"C16H20N2O2"	"272.1525"	"M+K+CF3COOH"	152.95602
"811839"	285.0629	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M"	0
"978814"	266.04451	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-H2O-H"	-19.01839
"65962"	189.034657333333	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M-3H"	-3.021828
"503203"	284.055624	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M-3H"	-3.021828
"880156"	94.0136906666667	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-3H"	-3.021828
"78"	284.055624	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M-2H"	-2.014552
"440848"	426.587074	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M-2H"	-2.014552
"820351"	141.524174	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-2H"	-2.014552
"78764"	569.118524	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M-H"	-1.007276
"519053"	854.181424	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M-H"	-1.007276
"896492"	284.055624	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-H"	-1.007276
"48797"	586.145071	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M-2H+NH4"	16.019271
"489089"	871.207971	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M-2H+NH4"	16.019271
"867260"	301.082171	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-2H+NH4"	16.019271
"36256"	591.100466	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M-2H+Na"	20.974666
"478002"	876.163366	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M-2H+Na"	20.974666
"851430"	306.037566	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-2H+Na"	20.974666
"1618580"	306.037566	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Na-2H"	20.974666
"101874"	302.043963	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M-H+Cl"	33.962126
"538157"	444.575413	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M-H+Cl"	33.962126
"930578"	159.512513	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-H+Cl"	33.962126
"271322"	605.095202	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+Cl"	34.969402
"664837"	890.158102	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+Cl"	34.969402
"1275054"	320.032302	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Cl"	34.969402
"19798"	607.074406	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M-2H+K"	36.948606
"457535"	892.137306	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M-2H+K"	36.948606
"832839"	322.011506	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-2H+K"	36.948606
"1557367"	322.011506	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+K-2H"	36.948606
"945252"	330.061094	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-H+HCOOH"	44.998194
"364926"	615.124001	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+HCOOH-H"	44.998201
"345928"	629.139651	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+Hac-H"	59.013851
"1492745"	344.076751	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Hac-H"	59.013851
"963728"	352.043051	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-H+NaCOOH"	66.980151
"112635"	320.032302	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+2Cl"	69.938804
"550066"	462.563752	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+2Cl"	69.938804
"1021416"	177.500852	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2Cl"	69.938804
"1241427"	363.981785	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Br"	78.918885
"1304186"	366.037772	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Cl+HCOOH"	80.974872
"1327081"	388.019729	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Cl+NaCOOH"	102.956829
"915222"	398.048486	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M-H+CF3COOH"	112.985586
"1289377"	434.025164	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Cl+CF3COOH"	148.962264
"1368997"	250.050224	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H-2H2O"	-35.012676
"1390507"	268.0602	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H-H2O"	-17.0027
"285090"	571.133076	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+H"	1.007276
"681522"	856.195976	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+H"	1.007276
"1361154"	286.070176	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H"	1.007276
"130764"	286.070176	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+2H"	2.014552
"572510"	428.601626	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+2H"	2.014552
"1040215"	143.538726	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2H"	2.014552
"204626"	191.049209333333	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+3H"	3.021828
"645608"	286.070176	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+3H"	3.021828
"1163974"	96.0282426666667	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+3H"	3.021828
"426884"	588.159623	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+NH4"	18.033823
"790063"	873.222523	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+NH4"	18.033823
"1685302"	303.096723	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+NH4"	18.033823
"331398"	294.5834495	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+H+NH4"	19.041099
"725276"	437.1148995	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+H+NH4"	19.041099
"1483104"	152.0519995	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H+NH4"	19.041099
"396319"	593.115018	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+Na"	22.989218
"759501"	878.177918	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+Na"	22.989218
"1606508"	308.052118	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Na"	22.989218
"315451"	297.061147	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+H+Na"	23.996494
"710421"	439.592597	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+H+Na"	23.996494
"1464975"	154.529697	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H+Na"	23.996494
"1054089"	103.355556666667	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2H+Na"	25.00377
"1263184"	318.096386	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+CH3OH+H"	33.033486
"385041"	609.088958	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+K"	38.963158
"747132"	894.151858	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+K"	38.963158
"1545903"	324.026058	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+K"	38.963158
"302349"	305.048117	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+H+K"	39.970434
"693677"	447.579567	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+H+K"	39.970434
"1447135"	162.516667	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H+K"	39.970434
"236827"	612.159626	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+ACN+H"	42.033826
"1212818"	327.096726	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+ACN+H"	42.033826
"1197794"	164.052001	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+ACN+2H"	43.041102
"189574"	615.09696	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+2Na-H"	44.97116
"632422"	900.15986	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+2Na-H"	44.97116
"1145045"	330.03406	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2Na-H"	44.97116
"186513"	308.052118	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+2Na"	45.978436
"627292"	450.583568	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+2Na"	45.978436
"1131049"	165.520668	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2Na"	45.978436
"1412986"	110.682870666667	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H+2Na"	46.985712
"1445478"	332.075646	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H+HCOOH"	47.012746
"229813"	313.08514	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+3H2O+2H"	56.04448
"1523466"	346.12769	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+IsoProp+H"	61.06479
"420841"	316.039088	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+Na+K"	61.952376
"783660"	458.570538	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+Na+K"	61.952376
"1673793"	173.507638	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Na+K"	61.952376
"258126"	634.141568	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+ACN+Na"	64.015768
"1229743"	349.078668	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+ACN+Na"	64.015768
"1716442"	349.102193	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+NH4+HCOOH"	64.039293
"1182891"	118.010184666667	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+3Na"	68.967654
"1651691"	354.057588	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Na+HCOOH"	68.994688
"160740"	647.04484	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+2K-H"	76.91904
"605769"	932.10774	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+2K-H"	76.91904
"1089188"	361.98194	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2K-H"	76.91904
"144910"	324.026058	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"2M+2K"	77.926316
"589939"	466.557508	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"3M+2K"	77.926316
"1074452"	181.494608	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2K"	77.926316
"1106569"	363.996492	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2K+H"	78.933592
"1345140"	364.084107	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+DMSO+H"	79.021207
"1013669"	368.123276	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2ACN+H"	83.060376
"1533982"	369.116908	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+IsoProp+Na+H"	84.054008
"997149"	184.565276	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+2ACN+2H"	84.067652
"1601492"	370.031528	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+K+HCOOH"	84.968628
"1420590"	400.063038	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+H+CF3COOH"	115.000138
"1153068"	205.078551	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+3ACN+2H"	125.094202
"1700437"	417.089585	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+NH4+CF3COOH"	132.026685
"1637181"	422.04498	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+Na+CF3COOH"	136.98208
"1576114"	438.01892	"C19768"	"5-Deoxy-5-chloroadenosine"	"C10H12ClN5O3"	"285.0629"	"M+K+CF3COOH"	152.95602
"815229"	275.1005	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M"	0
"983298"	256.08211	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-H2O-H"	-19.01839
"69356"	182.393057333333	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M-3H"	-3.021828
"504541"	274.093224	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M-3H"	-3.021828
"881611"	90.6928906666667	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-3H"	-3.021828
"6384"	274.093224	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M-2H"	-2.014552
"440963"	411.643474	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M-2H"	-2.014552
"822654"	136.542974	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-2H"	-2.014552
"82645"	549.193724	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M-H"	-1.007276
"519289"	824.294224	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M-H"	-1.007276
"900008"	274.093224	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-H"	-1.007276
"48184"	566.220271	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M-2H+NH4"	16.019271
"488596"	841.320771	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M-2H+NH4"	16.019271
"867372"	291.119771	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-2H+NH4"	16.019271
"39648"	571.175666	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M-2H+Na"	20.974666
"482489"	846.276166	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M-2H+Na"	20.974666
"857010"	296.075166	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-2H+Na"	20.974666
"1618562"	296.075166	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Na-2H"	20.974666
"101984"	292.081563	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M-H+Cl"	33.962126
"544830"	429.631813	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M-H+Cl"	33.962126
"928865"	154.531313	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-H+Cl"	33.962126
"267298"	585.170402	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+Cl"	34.969402
"661301"	860.270902	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+Cl"	34.969402
"1273579"	310.069902	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Cl"	34.969402
"15925"	587.149606	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M-2H+K"	36.948606
"456185"	862.250106	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M-2H+K"	36.948606
"832812"	312.049106	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-2H+K"	36.948606
"1556383"	312.049106	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+K-2H"	36.948606
"944265"	320.098694	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-H+HCOOH"	44.998194
"364306"	595.199201	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+HCOOH-H"	44.998201
"347090"	609.214851	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+Hac-H"	59.013851
"1494463"	334.114351	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Hac-H"	59.013851
"964931"	342.080651	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-H+NaCOOH"	66.980151
"113109"	310.069902	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+2Cl"	69.938804
"550155"	447.620152	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+2Cl"	69.938804
"1021831"	172.519652	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2Cl"	69.938804
"1242009"	354.019385	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Br"	78.918885
"1304245"	356.075372	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Cl+HCOOH"	80.974872
"1325005"	378.057329	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Cl+NaCOOH"	102.956829
"913145"	388.086086	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M-H+CF3COOH"	112.985586
"1289844"	424.062764	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Cl+CF3COOH"	148.962264
"1367886"	240.087824	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H-2H2O"	-35.012676
"1390617"	258.0978	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H-H2O"	-17.0027
"283742"	551.208276	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+H"	1.007276
"680539"	826.308776	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+H"	1.007276
"1361264"	276.107776	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H"	1.007276
"129781"	276.107776	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+2H"	2.014552
"572620"	413.658026	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+2H"	2.014552
"1037525"	138.557526	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2H"	2.014552
"207132"	184.407609333333	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+3H"	3.021828
"644869"	276.107776	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+3H"	3.021828
"1164815"	92.7074426666667	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+3H"	3.021828
"426265"	568.234823	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+NH4"	18.033823
"791269"	843.335323	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+NH4"	18.033823
"1684319"	293.134323	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+NH4"	18.033823
"331871"	284.6210495	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+H+NH4"	19.041099
"724414"	422.1712995	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+H+NH4"	19.041099
"1482120"	147.0707995	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H+NH4"	19.041099
"395336"	573.190218	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+Na"	22.989218
"757424"	848.290718	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+Na"	22.989218
"1606618"	298.089718	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Na"	22.989218
"315561"	287.098747	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+H+Na"	23.996494
"708709"	424.648997	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+H+Na"	23.996494
"1467271"	149.548497	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H+Na"	23.996494
"1060521"	100.034756666667	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2H+Na"	25.00377
"1264388"	308.133986	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+CH3OH+H"	33.033486
"384058"	589.164158	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+K"	38.963158
"748335"	864.264658	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+K"	38.963158
"1546017"	314.063658	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+K"	38.963158
"301733"	295.085717	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+H+K"	39.970434
"698894"	432.635967	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+H+K"	39.970434
"1447976"	157.535467	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H+K"	39.970434
"238401"	592.234826	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+ACN+H"	42.033826
"1209971"	317.134326	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+ACN+H"	42.033826
"1194504"	159.070801	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+ACN+2H"	43.041102
"188602"	595.17216	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+2Na-H"	44.97116
"638730"	870.27266	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+2Na-H"	44.97116
"1146863"	320.07166	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2Na-H"	44.97116
"186871"	298.089718	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+2Na"	45.978436
"627282"	435.639968	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+2Na"	45.978436
"1130794"	160.539468	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2Na"	45.978436
"1413954"	107.362070666667	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H+2Na"	46.985712
"1445101"	322.113246	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H+HCOOH"	47.012746
"235034"	303.12274	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+3H2O+2H"	56.04448
"1523701"	336.16529	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+IsoProp+H"	61.06479
"419859"	306.076688	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+Na+K"	61.952376
"783041"	443.626938	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+Na+K"	61.952376
"1679981"	168.526438	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Na+K"	61.952376
"263339"	614.216768	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+ACN+Na"	64.015768
"1235320"	339.116268	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+ACN+Na"	64.015768
"1718741"	339.139793	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+NH4+HCOOH"	64.039293
"1184096"	114.689384666667	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+3Na"	68.967654
"1652894"	344.095188	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Na+HCOOH"	68.994688
"169598"	627.12004	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+2K-H"	76.91904
"606972"	902.22054	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+2K-H"	76.91904
"1092578"	352.01954	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2K-H"	76.91904
"152675"	314.063658	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"2M+2K"	77.926316
"595153"	451.613908	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"3M+2K"	77.926316
"1082217"	176.513408	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2K"	77.926316
"1112146"	354.034092	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2K+H"	78.933592
"1347438"	354.121707	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+DMSO+H"	79.021207
"1014872"	358.160876	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2ACN+H"	83.060376
"1531904"	359.154508	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+IsoProp+Na+H"	84.054008
"997259"	179.584076	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+2ACN+2H"	84.067652
"1601847"	360.069128	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+K+HCOOH"	84.968628
"1420700"	390.100638	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+H+CF3COOH"	115.000138
"1153178"	200.097351	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+3ACN+2H"	125.094202
"1711482"	407.127185	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+NH4+CF3COOH"	132.026685
"1639478"	412.08258	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+Na+CF3COOH"	136.98208
"1576224"	428.05652	"C19769"	"16-Anhydro-N-acetyl-beta-muramate"	"C11H17NO7"	"275.1005"	"M+K+CF3COOH"	152.95602
"813152"	373.0774	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M"	0
"986688"	354.05901	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H2O-H"	-19.01839
"69466"	247.710990666667	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-3H"	-3.021828
"510118"	372.070124	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-3H"	-3.021828
"883545"	123.351857333333	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-3H"	-3.021828
"5402"	372.070124	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H"	-2.014552
"447151"	558.608824	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H"	-2.014552
"824952"	185.531424	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H"	-2.014552
"84943"	745.147524	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-H"	-1.007276
"526691"	1118.224924	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-H"	-1.007276
"900119"	372.070124	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H"	-1.007276
"53398"	762.174071	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+NH4"	16.019271
"489191"	1135.251471	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+NH4"	16.019271
"867482"	389.096671	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+NH4"	16.019271
"40851"	767.129466	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+Na"	20.974666
"484785"	1140.206866	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+Na"	20.974666
"858213"	394.052066	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+Na"	20.974666
"1623375"	394.052066	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na-2H"	20.974666
"98814"	390.058463	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-H+Cl"	33.962126
"545668"	576.597163	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-H+Cl"	33.962126
"930433"	203.519763	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+Cl"	33.962126
"270448"	781.124202	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Cl"	34.969402
"663235"	1154.201602	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Cl"	34.969402
"1273325"	408.046802	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl"	34.969402
"17828"	783.103406	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+K"	36.948606
"456415"	1156.180806	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+K"	36.948606
"833481"	410.026006	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+K"	36.948606
"1556493"	410.026006	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K-2H"	36.948606
"944011"	418.075594	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+HCOOH"	44.998194
"363688"	791.153001	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+HCOOH-H"	44.998201
"347562"	805.168651	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Hac-H"	59.013851
"1494572"	432.091251	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Hac-H"	59.013851
"959447"	440.057551	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+NaCOOH"	66.980151
"110295"	408.046802	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Cl"	69.938804
"550263"	594.585502	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Cl"	69.938804
"1022090"	221.508102	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Cl"	69.938804
"1242236"	451.996285	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Br"	78.918885
"1304451"	454.052272	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+HCOOH"	80.974872
"1326208"	476.034229	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+NaCOOH"	102.956829
"913255"	486.062986	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+CF3COOH"	112.985586
"1289143"	522.039664	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+CF3COOH"	148.962264
"1367267"	338.064724	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H-2H2O"	-35.012676
"1388540"	356.0747	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H-H2O"	-17.0027
"288229"	747.162076	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H"	1.007276
"680649"	1120.239476	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H"	1.007276
"1359187"	374.084676	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H"	1.007276
"133171"	374.084676	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2H"	2.014552
"568357"	560.623376	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2H"	2.014552
"1037151"	187.545976	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2H"	2.014552
"205782"	249.725542666667	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+3H"	3.021828
"645708"	374.084676	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+3H"	3.021828
"1164198"	125.366409333333	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+3H"	3.021828
"428200"	764.188623	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+NH4"	18.033823
"790287"	1137.266023	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+NH4"	18.033823
"1684433"	391.111223	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4"	18.033823
"333804"	382.5979495	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+NH4"	19.041099
"723675"	569.1366495	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+NH4"	19.041099
"1480045"	196.0592495	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+NH4"	19.041099
"394353"	769.144018	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Na"	22.989218
"755348"	1142.221418	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Na"	22.989218
"1606728"	396.066618	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na"	22.989218
"316032"	385.075647	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+Na"	23.996494
"710277"	571.614347	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+Na"	23.996494
"1466288"	198.536947	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+Na"	23.996494
"1061724"	132.693723333333	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2H+Na"	25.00377
"1265591"	406.110886	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+CH3OH+H"	33.033486
"384168"	785.117958	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+K"	38.963158
"747352"	1158.195358	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+K"	38.963158
"1550500"	412.040558	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K"	38.963158
"306582"	393.062617	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+K"	39.970434
"700097"	579.601317	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+K"	39.970434
"1447721"	206.523917	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+K"	39.970434
"241428"	788.188626	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+ACN+H"	42.033826
"1211948"	415.111226	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+H"	42.033826
"1196925"	208.059251	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+2H"	43.041102
"189109"	791.12596	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Na-H"	44.97116
"639204"	1164.20336	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Na-H"	44.97116
"1146494"	418.04856	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Na-H"	44.97116
"185764"	396.066618	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Na"	45.978436
"627635"	582.605318	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Na"	45.978436
"1130783"	209.527918	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Na"	45.978436
"1413336"	140.021037333333	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+2Na"	46.985712
"1444602"	420.090146	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+HCOOH"	47.012746
"233926"	401.09964	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+3H2O+2H"	56.04448
"1523327"	434.14219	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+IsoProp+H"	61.06479
"421428"	404.053588	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Na+K"	61.952376
"782058"	590.592288	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Na+K"	61.952376
"1679483"	217.514888	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+K"	61.952376
"263085"	810.170568	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+ACN+Na"	64.015768
"1233243"	437.093168	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+Na"	64.015768
"1719944"	437.116693	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4+HCOOH"	64.039293
"1184205"	147.348351333333	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+3Na"	68.967654
"1653004"	442.072088	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+HCOOH"	68.994688
"169708"	823.07384	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2K-H"	76.91904
"610001"	1196.15124	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2K-H"	76.91904
"1092688"	449.99644	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K-H"	76.91904
"152785"	412.040558	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2K"	77.926316
"595627"	598.579258	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2K"	77.926316
"1079776"	225.501858	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K"	77.926316
"1112256"	452.010992	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K+H"	78.933592
"1348277"	452.098607	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+DMSO+H"	79.021207
"1011702"	456.137776	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2ACN+H"	83.060376
"1532014"	457.131408	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+IsoProp+Na+H"	84.054008
"997369"	228.572526	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+2ACN+2H"	84.067652
"1599894"	458.046028	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K+HCOOH"	84.968628
"1419717"	488.077538	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+CF3COOH"	115.000138
"1153288"	249.085801	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+3ACN+2H"	125.094202
"1710499"	505.104085	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4+CF3COOH"	132.026685
"1639588"	510.05948	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+CF3COOH"	136.98208
"1576334"	526.03342	"C19770"	"N-Acetyl-beta-muramate 6-phosphate"	"C11H20NO11P"	"373.0774"	"M+K+CF3COOH"	152.95602
"814356"	1059.0901	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M"	0
"983518"	1040.07171	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-H2O-H"	-19.01839
"68482"	705.052790666667	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M-3H"	-3.021828
"503667"	1058.082824	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M-3H"	-3.021828
"882561"	352.022757333333	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-3H"	-3.021828
"5511"	1058.082824	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M-2H"	-2.014552
"442885"	1587.627874	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M-2H"	-2.014552
"821782"	528.537774	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-2H"	-2.014552
"86146"	2117.172924	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M-H"	-1.007276
"526801"	3176.263024	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M-H"	-1.007276
"902416"	1058.082824	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-H"	-1.007276
"55695"	2134.199471	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M-2H+NH4"	16.019271
"491975"	3193.289571	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M-2H+NH4"	16.019271
"869778"	1075.109371	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-2H+NH4"	16.019271
"39866"	2139.154866	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M-2H+Na"	20.974666
"485624"	3198.244966	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M-2H+Na"	20.974666
"861603"	1080.064766	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-2H+Na"	20.974666
"1628952"	1080.064766	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Na-2H"	20.974666
"97101"	1076.071163	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M-H+Cl"	33.962126
"545049"	1605.616213	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M-H+Cl"	33.962126
"932002"	546.526113	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-H+Cl"	33.962126
"269830"	2153.149602	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+Cl"	34.969402
"663709"	3212.239702	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+Cl"	34.969402
"1274166"	1094.059502	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Cl"	34.969402
"16595"	2155.128806	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M-2H+K"	36.948606
"458593"	3214.218906	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M-2H+K"	36.948606
"834685"	1096.038706	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-2H+K"	36.948606
"1557331"	1096.038706	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+K-2H"	36.948606
"946673"	1104.088294	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-H+HCOOH"	44.998194
"365254"	2163.178401	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+HCOOH-H"	44.998201
"347428"	2177.194051	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+Hac-H"	59.013851
"1494196"	1118.103951	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Hac-H"	59.013851
"961871"	1126.070251	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-H+NaCOOH"	66.980151
"110649"	1094.059502	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+2Cl"	69.938804
"553618"	1623.604552	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+2Cl"	69.938804
"1022899"	564.514452	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2Cl"	69.938804
"1241663"	1138.008985	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Br"	78.918885
"1308455"	1140.064972	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Cl+HCOOH"	80.974872
"1327412"	1162.046929	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Cl+NaCOOH"	102.956829
"915188"	1172.075686	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M-H+CF3COOH"	112.985586
"1289218"	1208.052364	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Cl+CF3COOH"	148.962264
"1367867"	1024.077424	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H-2H2O"	-35.012676
"1390838"	1042.0874	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H-H2O"	-17.0027
"289432"	2119.187476	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+H"	1.007276
"681853"	3178.277576	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+H"	1.007276
"1361484"	1060.097376	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H"	1.007276
"133281"	1060.097376	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+2H"	2.014552
"571747"	1589.642426	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+2H"	2.014552
"1040546"	530.552326	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2H"	2.014552
"206257"	707.067342666667	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+3H"	3.021828
"645818"	1060.097376	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+3H"	3.021828
"1165038"	354.037309333333	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+3H"	3.021828
"429403"	2136.214023	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+NH4"	18.033823
"790397"	3195.304123	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+NH4"	18.033823
"1687821"	1077.123923	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+NH4"	18.033823
"335006"	1068.6106495	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+H+NH4"	19.041099
"726335"	1598.1556995	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+H+NH4"	19.041099
"1479061"	539.0655995	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H+NH4"	19.041099
"394463"	2141.169418	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+Na"	22.989218
"755092"	3200.259518	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+Na"	22.989218
"1607931"	1082.079318	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Na"	22.989218
"317964"	1071.088347	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+H+Na"	23.996494
"709656"	1600.633397	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+H+Na"	23.996494
"1467491"	541.543297	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H+Na"	23.996494
"1059645"	361.364623333333	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2H+Na"	25.00377
"1262421"	1092.123586	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+CH3OH+H"	33.033486
"378322"	2157.143358	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+K"	38.963158
"748555"	3216.233458	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+K"	38.963158
"1550610"	1098.053258	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+K"	38.963158
"308879"	1079.075317	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+H+K"	39.970434
"702394"	1608.620367	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+H+K"	39.970434
"1452934"	549.530267	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H+K"	39.970434
"241538"	2160.214026	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+ACN+H"	42.033826
"1214244"	1101.123926	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+ACN+H"	42.033826
"1199222"	551.065601	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+ACN+2H"	43.041102
"193187"	2163.15136	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+2Na-H"	44.97116
"634940"	3222.24146	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+2Na-H"	44.97116
"1146114"	1104.06126	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2Na-H"	44.97116
"186478"	1082.079318	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+2Na"	45.978436
"627869"	1611.624368	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+2Na"	45.978436
"1130650"	552.534268	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2Na"	45.978436
"1413809"	368.691937333333	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H+2Na"	46.985712
"1445076"	1106.102846	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H+HCOOH"	47.012746
"234399"	1087.11234	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+3H2O+2H"	56.04448
"1523071"	1120.15489	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+IsoProp+H"	61.06479
"420809"	1090.066288	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+Na+K"	61.952376
"781804"	1619.611338	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+Na+K"	61.952376
"1678498"	560.521238	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Na+K"	61.952376
"263923"	2182.195968	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+ACN+Na"	64.015768
"1233354"	1123.105868	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+ACN+Na"	64.015768
"1718961"	1123.129393	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+NH4+HCOOH"	64.039293
"1183222"	376.019251333333	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+3Na"	68.967654
"1654207"	1128.084788	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Na+HCOOH"	68.994688
"169818"	2195.09924	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+2K-H"	76.91904
"611203"	3254.18934	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+2K-H"	76.91904
"1098265"	1136.00914	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2K-H"	76.91904
"148521"	1098.053258	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"2M+2K"	77.926316
"585894"	1627.598308	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"3M+2K"	77.926316
"1078063"	568.508208	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2K"	77.926316
"1112366"	1138.023692	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2K+H"	78.933592
"1346565"	1138.111307	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+DMSO+H"	79.021207
"1018372"	1142.150476	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2ACN+H"	83.060376
"1531030"	1143.144108	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+IsoProp+Na+H"	84.054008
"1000759"	571.578876	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+2ACN+2H"	84.067652
"1601822"	1144.058728	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+K+HCOOH"	84.968628
"1423107"	1174.090238	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+H+CF3COOH"	115.000138
"1153398"	592.092151	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+3ACN+2H"	125.094202
"1710609"	1191.116785	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+NH4+CF3COOH"	132.026685
"1639698"	1196.07218	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+Na+CF3COOH"	136.98208
"1576444"	1212.04612	"C19771"	"2-(5-Triphosphoribosyl)-3-dephospho-CoA;2-(5-Triphospho-alpha-D-ribosyl)-3-dephospho-CoA"	"C26H46N7O26P5S"	"1059.0901"	"M+K+CF3COOH"	152.95602
"816652"	1088.6847	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M"	0
"985815"	1069.66631	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H2O-H"	-19.01839
"66405"	724.782524	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-3H"	-3.021828
"510339"	1087.677424	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-3H"	-3.021828
"884860"	361.887624	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-3H"	-3.021828
"2705"	1087.677424	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H"	-2.014552
"444450"	1632.019774	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H"	-2.014552
"824077"	543.335074	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H"	-2.014552
"84069"	2176.362124	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-H"	-1.007276
"528004"	3265.046824	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-H"	-1.007276
"904712"	1087.677424	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H"	-1.007276
"56897"	2193.388671	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H+NH4"	16.019271
"494271"	3282.073371	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H+NH4"	16.019271
"868795"	1104.703971	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H+NH4"	16.019271
"36696"	2198.344066	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H+Na"	20.974666
"486098"	3287.028766	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H+Na"	20.974666
"858433"	1109.659366	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H+Na"	20.974666
"1622501"	1109.659366	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na-2H"	20.974666
"99034"	1105.665763	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-H+Cl"	33.962126
"544795"	1650.008113	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-H+Cl"	33.962126
"931383"	561.323413	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+Cl"	33.962126
"269696"	2212.338802	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Cl"	34.969402
"664183"	3301.023502	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+Cl"	34.969402
"1273427"	1123.654102	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl"	34.969402
"17076"	2214.318006	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M-2H+K"	36.948606
"458703"	3303.002706	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M-2H+K"	36.948606
"834315"	1125.633306	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-2H+K"	36.948606
"1555859"	1125.633306	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K-2H"	36.948606
"946419"	1133.682894	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+HCOOH"	44.998194
"364635"	2222.367601	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+HCOOH-H"	44.998201
"347059"	2236.383251	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Hac-H"	59.013851
"1493336"	1147.698551	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Hac-H"	59.013851
"963439"	1155.664851	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+NaCOOH"	66.980151
"113804"	1123.654102	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2Cl"	69.938804
"552027"	1667.996452	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2Cl"	69.938804
"1021673"	579.311752	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2Cl"	69.938804
"1242102"	1167.603585	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Br"	78.918885
"1308565"	1169.659572	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl+HCOOH"	80.974872
"1327522"	1191.641529	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl+NaCOOH"	102.956829
"916393"	1201.670286	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M-H+CF3COOH"	112.985586
"1289331"	1237.646964	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Cl+CF3COOH"	148.962264
"1368705"	1053.672024	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H-2H2O"	-35.012676
"1386208"	1071.682	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H-H2O"	-17.0027
"286623"	2178.376676	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H"	1.007276
"681962"	3267.061376	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H"	1.007276
"1353938"	1089.691976	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H"	1.007276
"131203"	1089.691976	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2H"	2.014552
"575139"	1634.034326	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2H"	2.014552
"1041749"	545.349626	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2H"	2.014552
"206733"	726.797076	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+3H"	3.021828
"652489"	1089.691976	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+3H"	3.021828
"1167335"	363.902176	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+3H"	3.021828
"431699"	2195.403223	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+NH4"	18.033823
"791601"	3284.087923	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+NH4"	18.033823
"1687931"	1106.718523	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+NH4"	18.033823
"334022"	1098.2052495	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H+NH4"	19.041099
"726445"	1642.5475995	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H+NH4"	19.041099
"1479172"	553.8628995	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+NH4"	19.041099
"393840"	2200.358618	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Na"	22.989218
"755568"	3289.043318	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+Na"	22.989218
"1604999"	1111.673918	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na"	22.989218
"318074"	1100.682947	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H+Na"	23.996494
"711587"	1645.025297	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H+Na"	23.996494
"1464320"	556.340597	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+Na"	23.996494
"1053308"	371.22949	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2H+Na"	25.00377
"1262531"	1121.718186	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+CH3OH+H"	33.033486
"382198"	2216.332558	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+K"	38.963158
"747572"	3305.017258	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+K"	38.963158
"1550720"	1127.647858	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K"	38.963158
"308989"	1108.669917	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+H+K"	39.970434
"701411"	1653.012267	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+H+K"	39.970434
"1450858"	564.327567	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+K"	39.970434
"240555"	2219.403226	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+ACN+H"	42.033826
"1216540"	1130.718526	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+ACN+H"	42.033826
"1200425"	565.862901	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+ACN+2H"	43.041102
"193297"	2222.34056	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2Na-H"	44.97116
"632863"	3311.02526	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2Na-H"	44.97116
"1145489"	1133.65586	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2Na-H"	44.97116
"181849"	1111.673918	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2Na"	45.978436
"625783"	1656.016268	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2Na"	45.978436
"1130996"	567.331568	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2Na"	45.978436
"1412089"	378.556804	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+2Na"	46.985712
"1445387"	1135.697446	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+HCOOH"	47.012746
"234994"	1116.70694	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+3H2O+2H"	56.04448
"1520504"	1149.74949	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+IsoProp+H"	61.06479
"420190"	1119.660888	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+Na+K"	61.952376
"776810"	1664.003238	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+Na+K"	61.952376
"1676422"	575.318538	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na+K"	61.952376
"260753"	2241.385168	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+ACN+Na"	64.015768
"1231277"	1152.700468	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+ACN+Na"	64.015768
"1714696"	1152.723993	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+NH4+HCOOH"	64.039293
"1182236"	385.884118	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+3Na"	68.967654
"1654317"	1157.679388	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na+HCOOH"	68.994688
"165554"	2254.28844	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2K-H"	76.91904
"602927"	3342.97314	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2K-H"	76.91904
"1097280"	1165.60374	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2K-H"	76.91904
"151911"	1127.647858	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"2M+2K"	77.926316
"589284"	1671.990208	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"3M+2K"	77.926316
"1078173"	583.305508	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2K"	77.926316
"1113205"	1167.618292	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2K+H"	78.933592
"1348742"	1167.705907	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+DMSO+H"	79.021207
"1018482"	1171.745076	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2ACN+H"	83.060376
"1528953"	1172.738708	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+IsoProp+Na+H"	84.054008
"1000869"	586.376176	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+2ACN+2H"	84.067652
"1601932"	1173.653328	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K+HCOOH"	84.968628
"1423217"	1203.684838	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+H+CF3COOH"	115.000138
"1153508"	606.889451	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+3ACN+2H"	125.094202
"1711812"	1220.711385	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+NH4+CF3COOH"	132.026685
"1639808"	1225.66678	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+Na+CF3COOH"	136.98208
"1576554"	1241.64072	"C19772"	"alpha-D-Glucopyranosyl-diphospho-ditransoctacis-undecaprenol"	"C61H102O12P2"	"1088.6847"	"M+K+CF3COOH"	152.95602
"813482"	342.1162	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M"	0
"979364"	323.09781	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"69793"	227.070190666667	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"509354"	341.108924	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"886063"	113.031457333333	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"5731"	341.108924	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"445653"	512.167024	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"822000"	170.050824	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"86361"	683.225124	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"524830"	1025.341324	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"902634"	341.108924	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"51904"	700.251671	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"491101"	1042.367871	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"867811"	358.135471	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"36806"	705.207066	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"485116"	1047.323266	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"858543"	363.090866	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1622611"	363.090866	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"95496"	359.097263	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"539802"	530.155363	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"928942"	188.039163	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"268589"	719.201802	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"664293"	1061.318002	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1274266"	377.085602	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"19981"	721.181006	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"455936"	1063.297206	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"833571"	379.064806	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1555639"	379.064806	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"946529"	387.114394	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"364379"	729.230601	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"347167"	743.246251	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1493078"	401.130051	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"965372"	409.096351	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"114279"	377.085602	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"552015"	548.143702	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1024094"	206.027502	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1242213"	421.035085	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1307947"	423.091072	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1324351"	445.073029	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"914679"	455.101786	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1289928"	491.078464	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1369180"	307.103524	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1383521"	325.1135	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"284542"	685.239676	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"679884"	1027.355876	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1357327"	343.123476	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"133498"	343.123476	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"575249"	514.181576	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1040764"	172.065376	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"211948"	229.084742666667	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"650412"	343.123476	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1169631"	115.046009333333	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"428529"	702.266223	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"791711"	1044.382423	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1685855"	360.150023	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"333039"	351.6367495	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"727649"	522.6948495	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1478673"	180.5786495	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"395773"	707.221618	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"756771"	1049.337818	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1605960"	365.105418	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"319276"	354.114447	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"711698"	525.172547	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1463337"	183.056347	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1056577"	122.373323333333	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1264827"	375.149686	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"383036"	723.195558	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"744402"	1065.311758	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1551923"	381.079358	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"304724"	362.101417	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"698239"	533.159517	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1455340"	191.043317	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"241756"	726.266226	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1215556"	384.150026	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1200533"	192.578651	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"191217"	729.20356	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"638438"	1071.31976	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1146653"	387.08736	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"184146"	365.105418	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"625529"	536.163518	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1131312"	194.047318	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1414166"	129.700637333333	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1445547"	389.128946	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"235024"	370.13844	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1519519"	403.18099	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"419571"	373.092388	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"773640"	544.150488	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1678718"	202.034288	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"260863"	748.248168	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1230294"	406.131968	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1716992"	406.155493	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1185626"	137.027951333333	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1655520"	411.110888	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"165664"	761.15144	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"603036"	1103.26764	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1094110"	419.03524	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"147646"	381.079358	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"587206"	552.137458	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1076094"	210.021258	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1113677"	421.049792	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1347875"	421.137407	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1015312"	425.176576	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1532342"	426.170208	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"994418"	213.091926	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1589040"	427.084828	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1418953"	457.116338	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1150336"	233.605201	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1710829"	474.142885	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1639918"	479.09828	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1576664"	495.07222	"C19773"	"3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"813592"	554.1248	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M"	0
"979474"	535.10641	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-H2O-H"	-19.01839
"66623"	368.409257333333	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M-3H"	-3.021828
"505090"	553.117524	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M-3H"	-3.021828
"886172"	183.700990666667	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-3H"	-3.021828
"2924"	553.117524	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M-2H"	-2.014552
"442119"	830.179924	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M-2H"	-2.014552
"821014"	276.055124	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-2H"	-2.014552
"85378"	1107.242324	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M-H"	-1.007276
"520931"	1661.367124	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M-H"	-1.007276
"898369"	553.117524	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-H"	-1.007276
"48612"	1124.268871	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M-2H+NH4"	16.019271
"488294"	1678.393671	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M-2H+NH4"	16.019271
"865735"	570.144071	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-2H+NH4"	16.019271
"33636"	1129.224266	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M-2H+Na"	20.974666
"479757"	1683.349066	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M-2H+Na"	20.974666
"853185"	575.099466	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-2H+Na"	20.974666
"1620897"	575.099466	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Na-2H"	20.974666
"98157"	571.105863	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M-H+Cl"	33.962126
"539912"	848.168263	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M-H+Cl"	33.962126
"933427"	294.043463	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-H+Cl"	33.962126
"271984"	1143.219002	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+Cl"	34.969402
"663311"	1697.343802	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+Cl"	34.969402
"1275349"	589.094202	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Cl"	34.969402
"16811"	1145.198206	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M-2H+K"	36.948606
"456122"	1699.323006	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M-2H+K"	36.948606
"832805"	591.073406	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-2H+K"	36.948606
"1555999"	591.073406	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+K-2H"	36.948606
"944815"	599.122994	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-H+HCOOH"	44.998194
"361977"	1153.247801	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+HCOOH-H"	44.998201
"347277"	1167.263451	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+Hac-H"	59.013851
"1492796"	613.138651	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Hac-H"	59.013851
"963297"	621.104951	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-H+NaCOOH"	66.980151
"112201"	589.094202	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+2Cl"	69.938804
"552125"	866.156602	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+2Cl"	69.938804
"1023840"	312.031802	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2Cl"	69.938804
"1242200"	633.043685	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Br"	78.918885
"1308421"	635.099672	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Cl+HCOOH"	80.974872
"1323367"	657.081629	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Cl+NaCOOH"	102.956829
"915153"	667.110386	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M-H+CF3COOH"	112.985586
"1290402"	703.087064	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Cl+CF3COOH"	148.962264
"1370387"	519.112124	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H-2H2O"	-35.012676
"1384599"	537.1221	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H-H2O"	-17.0027
"285379"	1109.256876	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+H"	1.007276
"677806"	1663.381676	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+H"	1.007276
"1351723"	555.132076	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H"	1.007276
"126317"	555.132076	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+2H"	2.014552
"570982"	832.194476	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+2H"	2.014552
"1039051"	278.069676	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2H"	2.014552
"206590"	370.423809333333	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+3H"	3.021828
"647244"	555.132076	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+3H"	3.021828
"1164027"	185.715542666667	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+3H"	3.021828
"425113"	1126.283423	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+NH4"	18.033823
"787448"	1680.408223	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+NH4"	18.033823
"1684871"	572.158623	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+NH4"	18.033823
"330963"	563.6453495	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+H+NH4"	19.041099
"724479"	840.7077495	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+H+NH4"	19.041099
"1477106"	286.5829495	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H+NH4"	19.041099
"394789"	1131.238818	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+Na"	22.989218
"754488"	1685.363618	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+Na"	22.989218
"1606070"	577.114018	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Na"	22.989218
"317201"	566.123047	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+H+Na"	23.996494
"709624"	843.185447	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+H+Na"	23.996494
"1461625"	289.060647	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H+Na"	23.996494
"1055594"	193.042856666667	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2H+Na"	25.00377
"1262751"	587.158286	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+CH3OH+H"	33.033486
"382417"	1147.212758	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+K"	38.963158
"743416"	1701.337558	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+K"	38.963158
"1546565"	593.087958	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+K"	38.963158
"301553"	574.110017	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+H+K"	39.970434
"695067"	851.172417	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+H+K"	39.970434
"1452170"	297.047617	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H+K"	39.970434
"238584"	1150.283426	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+ACN+H"	42.033826
"1212384"	596.158626	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+ACN+H"	42.033826
"1195540"	298.582951	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+ACN+2H"	43.041102
"190960"	1153.22076	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+2Na-H"	44.97116
"631982"	1707.34556	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+2Na-H"	44.97116
"1143148"	599.09596	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2Na-H"	44.97116
"183160"	577.114018	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+2Na"	45.978436
"620535"	854.176418	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+2Na"	45.978436
"1125134"	300.051618	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2Na"	45.978436
"1404282"	200.370170666667	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H+2Na"	46.985712
"1436400"	601.137546	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H+HCOOH"	47.012746
"221722"	582.14704	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+3H2O+2H"	56.04448
"1520719"	615.18959	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+IsoProp+H"	61.06479
"417126"	585.100988	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+Na+K"	61.952376
"775937"	862.163388	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+Na+K"	61.952376
"1673361"	308.038588	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Na+K"	61.952376
"258786"	1172.265368	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+ACN+Na"	64.015768
"1231496"	618.140568	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+ACN+Na"	64.015768
"1715280"	618.164093	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+NH4+HCOOH"	64.039293
"1181363"	207.697484666667	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+3Na"	68.967654
"1655629"	623.119488	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Na+HCOOH"	68.994688
"163587"	1185.16864	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+2K-H"	76.91904
"602052"	1739.29344	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+2K-H"	76.91904
"1092033"	631.04384	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2K-H"	76.91904
"145203"	593.087958	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"2M+2K"	77.926316
"587316"	870.150358	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"3M+2K"	77.926316
"1076204"	316.025558	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2K"	77.926316
"1111600"	633.058392	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2K+H"	78.933592
"1344705"	633.146007	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+DMSO+H"	79.021207
"1015422"	637.185176	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2ACN+H"	83.060376
"1531359"	638.178808	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+IsoProp+Na+H"	84.054008
"992340"	319.096226	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+2ACN+2H"	84.067652
"1589028"	639.093428	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+K+HCOOH"	84.968628
"1419063"	669.124938	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+H+CF3COOH"	115.000138
"1153726"	339.609501	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+3ACN+2H"	125.094202
"1708753"	686.151485	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+NH4+CF3COOH"	132.026685
"1640028"	691.10688	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+Na+CF3COOH"	136.98208
"1576774"	707.08082	"C19774"	"3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose"	"C17H31O18P"	"554.1248"	"M+K+CF3COOH"	152.95602
"815889"	827.1164	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M"	0
"980678"	808.09801	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-H2O-H"	-19.01839
"68920"	550.403657333333	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M-3H"	-3.021828
"508478"	826.109124	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M-3H"	-3.021828
"887375"	274.698190666667	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-3H"	-3.021828
"7043"	826.109124	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M-2H"	-2.014552
"445510"	1239.667324	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M-2H"	-2.014552
"822216"	412.550924	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-2H"	-2.014552
"84394"	1653.225524	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M-H"	-1.007276
"521768"	2480.341924	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M-H"	-1.007276
"899571"	826.109124	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-H"	-1.007276
"51759"	1670.252071	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M-2H+NH4"	16.019271
"490226"	2497.368471	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M-2H+NH4"	16.019271
"865966"	843.135671	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-2H+NH4"	16.019271
"34839"	1675.207466	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M-2H+Na"	20.974666
"480960"	2502.323866	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M-2H+Na"	20.974666
"850136"	848.091066	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-2H+Na"	20.974666
"1621736"	848.091066	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Na-2H"	20.974666
"95107"	844.097463	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M-H+Cl"	33.962126
"540022"	1257.655663	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M-H+Cl"	33.962126
"933537"	430.539263	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-H+Cl"	33.962126
"273550"	1689.202202	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+Cl"	34.969402
"663056"	2516.318602	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+Cl"	34.969402
"1276552"	862.085802	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Cl"	34.969402
"18743"	1691.181406	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M-2H+K"	36.948606
"457937"	2518.297806	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M-2H+K"	36.948606
"832931"	864.065006	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-2H+K"	36.948606
"1558863"	864.065006	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+K-2H"	36.948606
"946747"	872.114594	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-H+HCOOH"	44.998194
"364599"	1699.231001	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+HCOOH-H"	44.998201
"349574"	1713.246651	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+Hac-H"	59.013851
"1493299"	886.130251	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Hac-H"	59.013851
"964499"	894.096551	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-H+NaCOOH"	66.980151
"112675"	862.085802	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+2Cl"	69.938804
"552599"	1275.644002	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+2Cl"	69.938804
"1022124"	448.527602	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2Cl"	69.938804
"1242067"	906.035285	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Br"	78.918885
"1307800"	908.091272	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Cl+HCOOH"	80.974872
"1324205"	930.073229	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Cl+NaCOOH"	102.956829
"915628"	940.101986	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M-H+CF3COOH"	112.985586
"1289456"	976.078664	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Cl+CF3COOH"	148.962264
"1368063"	792.103724	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H-2H2O"	-35.012676
"1384221"	810.1137	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H-H2O"	-17.0027
"285489"	1655.240076	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+H"	1.007276
"676819"	2482.356476	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+H"	1.007276
"1352806"	828.123676	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H"	1.007276
"128248"	828.123676	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+2H"	2.014552
"571092"	1241.681876	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+2H"	2.014552
"1040983"	414.565476	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2H"	2.014552
"211072"	552.418209333333	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+3H"	3.021828
"647718"	828.123676	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+3H"	3.021828
"1165112"	276.712742666667	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+3H"	3.021828
"425953"	1672.266623	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+NH4"	18.033823
"789743"	2499.383023	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+NH4"	18.033823
"1688261"	845.150223	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+NH4"	18.033823
"331436"	836.6369495	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+H+NH4"	19.041099
"723859"	1250.1951495	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+H+NH4"	19.041099
"1477796"	423.0787495	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H+NH4"	19.041099
"394656"	1677.222018	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+Na"	22.989218
"755290"	2504.338418	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+Na"	22.989218
"1606180"	850.105618	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Na"	22.989218
"316946"	839.114647	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+H+Na"	23.996494
"709734"	1252.672847	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+H+Na"	23.996494
"1462828"	425.556447	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H+Na"	23.996494
"1053234"	284.040056666667	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2H+Na"	25.00377
"1262859"	860.149886	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+CH3OH+H"	33.033486
"381432"	1693.195958	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+K"	38.963158
"743525"	2520.312358	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+K"	38.963158
"1543390"	866.079558	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+K"	38.963158
"300570"	847.101617	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+H+K"	39.970434
"694083"	1260.659817	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+H+K"	39.970434
"1448998"	433.543417	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H+K"	39.970434
"238694"	1696.266626	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+ACN+H"	42.033826
"1212496"	869.150226	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+ACN+H"	42.033826
"1197473"	435.078751	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+ACN+2H"	43.041102
"191438"	1699.20396	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+2Na-H"	44.97116
"632092"	2526.32036	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+2Na-H"	44.97116
"1143984"	872.08756	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2Na-H"	44.97116
"186916"	850.105618	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+2Na"	45.978436
"623925"	1263.663818	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+2Na"	45.978436
"1128524"	436.547418	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2Na"	45.978436
"1404393"	291.367370666667	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H+2Na"	46.985712
"1433594"	874.129146	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H+HCOOH"	47.012746
"223289"	855.13864	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+3H2O+2H"	56.04448
"1519736"	888.18119	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+IsoProp+H"	61.06479
"417236"	858.092588	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+Na+K"	61.952376
"777140"	1271.650788	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+Na+K"	61.952376
"1675657"	444.534388	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Na+K"	61.952376
"259989"	1718.248568	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+ACN+Na"	64.015768
"1231606"	891.132168	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+ACN+Na"	64.015768
"1717212"	891.155693	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+NH4+HCOOH"	64.039293
"1184752"	298.694684666667	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+3Na"	68.967654
"1657926"	896.111088	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Na+HCOOH"	68.994688
"166977"	1731.15184	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+2K-H"	76.91904
"608723"	2558.26824	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+2K-H"	76.91904
"1093234"	904.03544	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2K-H"	76.91904
"150051"	866.079558	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"2M+2K"	77.926316
"588518"	1279.637758	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"3M+2K"	77.926316
"1079593"	452.521358	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2K"	77.926316
"1113169"	906.049992	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2K+H"	78.933592
"1348094"	906.137607	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+DMSO+H"	79.021207
"1017718"	910.176776	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2ACN+H"	83.060376
"1533655"	911.170408	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+IsoProp+Na+H"	84.054008
"994636"	455.592026	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+2ACN+2H"	84.067652
"1594605"	912.085028	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+K+HCOOH"	84.968628
"1419173"	942.116538	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+H+CF3COOH"	115.000138
"1153836"	476.105301	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+3ACN+2H"	125.094202
"1708863"	959.143085	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+NH4+CF3COOH"	132.026685
"1641231"	964.09848	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+Na+CF3COOH"	136.98208
"1576884"	980.07242	"C19775"	"Fluoroacetyl-CoA;Fluoroacetyl-coenzyme A"	"C23H37FN7O17P3S"	"827.1164"	"M+K+CF3COOH"	152.95602
"810535"	101.0477	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M"	0
"976413"	82.02931	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"65382"	66.3578573333333	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"506402"	100.040424	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"883111"	32.6752906666667	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"6061"	100.040424	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"444527"	150.564274	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"822326"	49.516574	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"85598"	201.088124	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"522971"	302.135824	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"901869"	100.040424	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"54055"	218.114671	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"491431"	319.162371	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"876891"	117.066971	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"34949"	223.070066	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"474509"	324.117766	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"851217"	122.022366	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1619047"	122.022366	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"96191"	118.028763	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"540493"	168.552613	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"929999"	67.504913	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"271472"	237.064802	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"665715"	338.112502	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1277024"	136.017102	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"18852"	239.044006	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"457439"	340.091706	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"834147"	137.996306	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1556296"	137.996306	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"945762"	146.045894	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"362883"	247.093601	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"346763"	261.109251	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1497068"	160.061551	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"959863"	168.027851	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"113875"	136.017102	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"555624"	186.540952	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1024426"	85.493252	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1244002"	179.966585	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1307181"	182.022572	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1323585"	204.004529	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"912454"	214.033286	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1288799"	250.009964	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1369510"	66.035024	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1383724"	84.045	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"284867"	203.102676	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"676567"	304.150376	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1356564"	102.054976	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"132734"	102.054976	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"570106"	152.578826	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1045468"	51.531126	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"213369"	68.3724093333333	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"646733"	102.054976	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1167775"	34.6898426666667	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"425944"	220.129223	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"786574"	321.176923	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1686183"	119.081523	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"331181"	110.5682495	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"723726"	161.0920995	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1478883"	60.0443995	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"398290"	225.084618	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"756372"	326.132318	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1605195"	124.036918	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"316691"	113.045947	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"710941"	163.569797	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1464030"	62.522097	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1060197"	42.0171566666667	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1260053"	134.081186	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"381544"	241.058558	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"741811"	342.106258	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1542408"	140.010858	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"303958"	121.032917	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"696380"	171.556767	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1453483"	70.509067	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"238803"	244.129226	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1214793"	143.081526	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1194908"	72.044401	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"190454"	247.06656	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"638763"	348.11426	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1142271"	146.01886	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"187270"	124.036918	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"626587"	174.560768	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1129729"	73.513068	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1407783"	49.3444706666667	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1438806"	148.060446	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"226312"	129.06994	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1515469"	162.11249	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"414067"	132.023888	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"777248"	182.547738	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1672486"	81.500038	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"261193"	266.111168	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1232811"	165.063468	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1720602"	165.086993	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1183769"	56.6717846666667	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1656942"	170.042388	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"163804"	279.01444	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"607740"	380.06214	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1091157"	177.96674	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"147975"	140.010858	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"587535"	190.534708	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1073141"	89.487008	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1111820"	179.981292	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1346019"	180.068907	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1013453"	184.108076	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1530486"	185.101708	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"992558"	92.557676	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1590342"	186.016328	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1421472"	216.047838	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1150672"	113.070951	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1710065"	233.074385	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1646811"	238.02978	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1576995"	254.00372	"C19777"	"L-Homoserine lactone"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"816112"	129.0902	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M"	0
"980897"	110.07181	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H2O-H"	-19.01839
"68045"	85.0528573333333	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-3H"	-3.021828
"508699"	128.082924	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-3H"	-3.021828
"885408"	42.0227906666667	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-3H"	-3.021828
"6171"	128.082924	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H"	-2.014552
"445732"	192.628024	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H"	-2.014552
"824624"	63.537824	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H"	-2.014552
"81335"	257.173124	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-H"	-1.007276
"520895"	386.263324	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-H"	-1.007276
"900886"	128.082924	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H"	-1.007276
"50886"	274.199671	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H+NH4"	16.019271
"490448"	403.289871	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H+NH4"	16.019271
"874814"	145.109471	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H+NH4"	16.019271
"33966"	279.155066	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H+Na"	20.974666
"474619"	408.245266	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H+Na"	20.974666
"851327"	150.064866	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H+Na"	20.974666
"1619401"	150.064866	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na-2H"	20.974666
"95690"	146.071263	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-H+Cl"	33.962126
"543518"	210.616363	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-H+Cl"	33.962126
"933755"	81.526163	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+Cl"	33.962126
"273405"	293.149802	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Cl"	34.969402
"666919"	422.240002	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+Cl"	34.969402
"1278227"	164.059602	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl"	34.969402
"18597"	295.129006	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H+K"	36.948606
"458157"	424.219206	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H+K"	36.948606
"834500"	166.038806	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H+K"	36.948606
"1557987"	166.038806	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K-2H"	36.948606
"945509"	174.088394	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+HCOOH"	44.998194
"363725"	303.178601	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+HCOOH-H"	44.998201
"347238"	317.194251	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Hac-H"	59.013851
"1498271"	188.104051	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Hac-H"	59.013851
"959246"	196.070351	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+NaCOOH"	66.980151
"112893"	164.059602	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2Cl"	69.938804
"555372"	228.604702	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2Cl"	69.938804
"1024173"	99.514502	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2Cl"	69.938804
"1244843"	208.009085	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Br"	78.918885
"1309479"	210.065072	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl+HCOOH"	80.974872
"1321508"	232.047029	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl+NaCOOH"	102.956829
"911837"	242.075786	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+CF3COOH"	112.985586
"1289030"	278.052464	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl+CF3COOH"	148.962264
"1368528"	94.077524	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H-2H2O"	-35.012676
"1384563"	112.0875	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H-H2O"	-17.0027
"284616"	259.187676	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H"	1.007276
"677043"	388.277876	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H"	1.007276
"1361048"	130.097476	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H"	1.007276
"135031"	130.097476	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2H"	2.014552
"570216"	194.642576	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2H"	2.014552
"1045576"	65.552376	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2H"	2.014552
"214572"	87.0674093333333	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+3H"	3.021828
"650851"	130.097476	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+3H"	3.021828
"1170071"	44.0373426666667	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+3H"	3.021828
"427148"	276.214223	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+NH4"	18.033823
"791060"	405.304423	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+NH4"	18.033823
"1688480"	147.124023	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+NH4"	18.033823
"333845"	138.6107495	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H+NH4"	19.041099
"725174"	203.1558495	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H+NH4"	19.041099
"1478630"	74.0656495	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+NH4"	19.041099
"393421"	281.169618	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Na"	22.989218
"757212"	410.259818	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+Na"	22.989218
"1606400"	152.079418	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na"	22.989218
"316440"	141.088447	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H+Na"	23.996494
"709592"	205.633547	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H+Na"	23.996494
"1463774"	76.543347	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+Na"	23.996494
"1061400"	51.3646566666667	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2H+Na"	25.00377
"1260163"	162.123686	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+CH3OH+H"	33.033486
"380560"	297.143558	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+K"	38.963158
"741558"	426.233758	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+K"	38.963158
"1541787"	168.053358	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K"	38.963158
"301881"	149.075417	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H+K"	39.970434
"695395"	213.620517	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H+K"	39.970434
"1449217"	84.530317	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+K"	39.970434
"240006"	300.214226	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+ACN+H"	42.033826
"1213808"	171.124026	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+ACN+H"	42.033826
"1197693"	86.065651	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+ACN+2H"	43.041102
"189954"	303.15156	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2Na-H"	44.97116
"632312"	432.24176	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2Na-H"	44.97116
"1142015"	174.06136	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2Na-H"	44.97116
"187868"	152.079418	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2Na"	45.978436
"628462"	216.624518	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2Na"	45.978436
"1130936"	87.534318	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2Na"	45.978436
"1411174"	58.6919706666667	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+2Na"	46.985712
"1441832"	176.102946	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+HCOOH"	47.012746
"227518"	157.11244	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+3H2O+2H"	56.04448
"1517767"	190.15499	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+IsoProp+H"	61.06479
"415270"	160.066388	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Na+K"	61.952376
"779545"	224.611488	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+Na+K"	61.952376
"1674781"	95.521288	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na+K"	61.952376
"259116"	322.196168	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+ACN+Na"	64.015768
"1235108"	193.105968	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+ACN+Na"	64.015768
"1725086"	193.129493	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+NH4+HCOOH"	64.039293
"1187159"	66.0192846666667	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+3Na"	68.967654
"1657052"	198.084888	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na+HCOOH"	68.994688
"168288"	335.09944	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2K-H"	76.91904
"608943"	464.18964	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2K-H"	76.91904
"1093454"	206.00924	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2K-H"	76.91904
"146992"	168.053358	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2K"	77.926316
"584365"	232.598458	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2K"	77.926316
"1073251"	103.508258	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2K"	77.926316
"1110835"	208.023792	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2K+H"	78.933592
"1345035"	208.111407	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+DMSO+H"	79.021207
"1009189"	212.150576	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2ACN+H"	83.060376
"1527316"	213.144208	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+IsoProp+Na+H"	84.054008
"994856"	106.578926	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2ACN+2H"	84.067652
"1594827"	214.058828	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K+HCOOH"	84.968628
"1423769"	244.090338	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+CF3COOH"	115.000138
"1152968"	127.092201	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+3ACN+2H"	125.094202
"1706895"	261.116885	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+NH4+CF3COOH"	132.026685
"1646921"	266.07228	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na+CF3COOH"	136.98208
"1577105"	282.04622	"C19778"	"(R)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K+CF3COOH"	152.95602
"815129"	88.0637	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M"	0
"981008"	69.04531	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-H2O-H"	-19.01839
"64875"	57.7018573333333	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M-3H"	-3.021828
"506622"	87.056424	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M-3H"	-3.021828
"883331"	28.3472906666667	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-3H"	-3.021828
"6281"	87.056424	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M-2H"	-2.014552
"444748"	131.088274	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M-2H"	-2.014552
"819267"	43.024574	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-2H"	-2.014552
"81445"	175.120124	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M-H"	-1.007276
"521005"	263.183824	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M-H"	-1.007276
"899903"	87.056424	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-H"	-1.007276
"49903"	192.146671	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M-2H+NH4"	16.019271
"490559"	280.210371	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M-2H+NH4"	16.019271
"874924"	104.082971	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-2H+NH4"	16.019271
"37356"	197.102066	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M-2H+Na"	20.974666
"474729"	285.165766	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M-2H+Na"	20.974666
"849371"	109.038366	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-2H+Na"	20.974666
"1618944"	109.038366	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Na-2H"	20.974666
"94377"	105.044763	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M-H+Cl"	33.962126
"540714"	149.076613	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M-H+Cl"	33.962126
"934958"	61.012913	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-H+Cl"	33.962126
"278984"	211.096802	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+Cl"	34.969402
"667032"	299.160502	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+Cl"	34.969402
"1279435"	123.033102	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Cl"	34.969402
"23083"	213.076006	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M-2H+K"	36.948606
"456811"	301.139706	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M-2H+K"	36.948606
"836071"	125.012306	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-2H+K"	36.948606
"1560653"	125.012306	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+K-2H"	36.948606
"951817"	133.061894	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-H+HCOOH"	44.998194
"364565"	221.125601	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+HCOOH-H"	44.998201
"350638"	235.141251	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+Hac-H"	59.013851
"1497288"	147.077551	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Hac-H"	59.013851
"959356"	155.043851	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-H+NaCOOH"	66.980151
"115919"	123.033102	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+2Cl"	69.938804
"557669"	167.064952	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+2Cl"	69.938804
"1026470"	79.001252	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2Cl"	69.938804
"1247140"	166.982585	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Br"	78.918885
"1309590"	169.038572	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Cl+HCOOH"	80.974872
"1324170"	191.020529	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Cl+NaCOOH"	102.956829
"911947"	201.049286	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M-H+CF3COOH"	112.985586
"1289385"	237.025964	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Cl+CF3COOH"	148.962264
"1367911"	53.051024	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H-2H2O"	-35.012676
"1385044"	71.061	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H-H2O"	-17.0027
"283633"	177.134676	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+H"	1.007276
"676421"	265.198376	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+H"	1.007276
"1364074"	89.070976	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H"	1.007276
"131860"	89.070976	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+2H"	2.014552
"568139"	133.102826	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+2H"	2.014552
"1045686"	45.039126	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2H"	2.014552
"215777"	59.7164093333333	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+3H"	3.021828
"654242"	89.070976	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+3H"	3.021828
"1171275"	30.3618426666667	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+3H"	3.021828
"432360"	194.161223	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+NH4"	18.033823
"790808"	282.224923	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+NH4"	18.033823
"1691873"	106.097523	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+NH4"	18.033823
"336871"	97.5842495	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+H+NH4"	19.041099
"725285"	141.6160995	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+H+NH4"	19.041099
"1480927"	53.5523995	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H+NH4"	19.041099
"395597"	199.116618	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+Na"	22.989218
"757322"	287.180318	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+Na"	22.989218
"1606511"	111.052918	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Na"	22.989218
"315821"	100.061947	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+H+Na"	23.996494
"708606"	144.093797	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+H+Na"	23.996494
"1463520"	56.030097	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H+Na"	23.996494
"1058228"	37.6891566666667	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2H+Na"	25.00377
"1259905"	121.097186	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+CH3OH+H"	33.033486
"379939"	215.090558	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+K"	38.963158
"739478"	303.154258	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+K"	38.963158
"1540804"	127.026858	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+K"	38.963158
"298703"	108.048917	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+H+K"	39.970434
"691849"	152.080767	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+H+K"	39.970434
"1446038"	64.017067	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H+K"	39.970434
"235736"	218.161226	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+ACN+H"	42.033826
"1210181"	130.097526	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+ACN+H"	42.033826
"1194269"	65.552401	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+ACN+2H"	43.041102
"188667"	221.09856	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+2Na-H"	44.97116
"629504"	309.16226	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+2Na-H"	44.97116
"1134834"	133.03486	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2Na-H"	44.97116
"185420"	111.052918	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+2Na"	45.978436
"625342"	155.084768	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+2Na"	45.978436
"1127754"	67.021068	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2Na"	45.978436
"1411284"	45.0164706666667	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H+2Na"	46.985712
"1444984"	135.076446	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H+HCOOH"	47.012746
"232730"	116.08594	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+3H2O+2H"	56.04448
"1522128"	149.12849	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+IsoProp+H"	61.06479
"409183"	119.039888	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+Na+K"	61.952376
"779655"	163.071738	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+Na+K"	61.952376
"1677080"	75.008038	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Na+K"	61.952376
"258132"	240.143168	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+ACN+Na"	64.015768
"1233029"	152.079468	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+ACN+Na"	64.015768
"1721915"	152.102993	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+NH4+HCOOH"	64.039293
"1181071"	52.3437846666667	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+3Na"	68.967654
"1652788"	157.058388	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Na+HCOOH"	68.994688
"166211"	253.04644	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+2K-H"	76.91904
"604678"	341.11014	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+2K-H"	76.91904
"1090283"	164.98274	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2K-H"	76.91904
"147102"	127.026858	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"2M+2K"	77.926316
"588850"	171.058708	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"3M+2K"	77.926316
"1072268"	82.995008	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2K"	77.926316
"1110945"	166.997292	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2K+H"	78.933592
"1342957"	167.084907	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+DMSO+H"	79.021207
"1011485"	171.124076	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2ACN+H"	83.060376
"1525236"	172.117708	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+IsoProp+Na+H"	84.054008
"991684"	86.065676	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+2ACN+2H"	84.067652
"1587061"	173.032328	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+K+HCOOH"	84.968628
"1418411"	203.063838	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+H+CF3COOH"	115.000138
"1150893"	106.578951	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+3ACN+2H"	125.094202
"1707005"	220.090385	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+NH4+CF3COOH"	132.026685
"1647031"	225.04578	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+Na+CF3COOH"	136.98208
"1577215"	241.01972	"C19779"	"beta-Alaninamide;beta-Alanine amide;3-Aminopropionamide"	"C3H8N2O"	"88.0637"	"M+K+CF3COOH"	152.95602
"810865"	130.0742	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M"	0
"980024"	111.05581	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H2O-H"	-19.01839
"68265"	85.7088573333333	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-3H"	-3.021828
"506732"	129.066924	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-3H"	-3.021828
"880563"	42.3507906666667	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-3H"	-3.021828
"3109"	129.066924	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H"	-2.014552
"443763"	194.104024	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H"	-2.014552
"822656"	64.029824	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H"	-2.014552
"81555"	259.141124	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-H"	-1.007276
"520142"	389.215324	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-H"	-1.007276
"901106"	129.066924	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H"	-1.007276
"52199"	276.167671	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H+NH4"	16.019271
"492855"	406.241871	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H+NH4"	16.019271
"875034"	146.093471	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H+NH4"	16.019271
"38559"	281.123066	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H+Na"	20.974666
"478119"	411.197266	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H+Na"	20.974666
"853734"	151.048866	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H+Na"	20.974666
"1618891"	151.048866	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na-2H"	20.974666
"94331"	147.055263	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-H+Cl"	33.962126
"537909"	212.092363	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-H+Cl"	33.962126
"932155"	82.018163	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+Cl"	33.962126
"276909"	295.117802	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Cl"	34.969402
"669330"	425.192002	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+Cl"	34.969402
"1274443"	165.043602	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl"	34.969402
"23194"	297.097006	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H+K"	36.948606
"459474"	427.171206	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H+K"	36.948606
"836183"	167.022806	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H+K"	36.948606
"1560764"	167.022806	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K-2H"	36.948606
"949741"	175.072394	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+HCOOH"	44.998194
"364676"	305.146601	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+HCOOH-H"	44.998201
"347469"	319.162251	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Hac-H"	59.013851
"1505782"	189.088051	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Hac-H"	59.013851
"959220"	197.054351	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+NaCOOH"	66.980151
"112021"	165.043602	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2Cl"	69.938804
"561425"	230.080702	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2Cl"	69.938804
"1030954"	100.006502	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2Cl"	69.938804
"1250532"	208.993085	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Br"	78.918885
"1315897"	211.049072	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl+HCOOH"	80.974872
"1330478"	233.031029	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl+NaCOOH"	102.956829
"914974"	243.059786	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+CF3COOH"	112.985586
"1291683"	279.036464	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl+CF3COOH"	148.962264
"1367657"	95.061524	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H-2H2O"	-35.012676
"1385155"	113.0715	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H-H2O"	-17.0027
"285933"	261.155676	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H"	1.007276
"676411"	391.229876	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H"	1.007276
"1364548"	131.081476	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H"	1.007276
"134157"	131.081476	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2H"	2.014552
"571529"	196.118576	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2H"	2.014552
"1046889"	66.044376	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2H"	2.014552
"212606"	87.7234093333333	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+3H"	3.021828
"656537"	131.081476	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+3H"	3.021828
"1172477"	44.3653426666667	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+3H"	3.021828
"430283"	278.182223	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+NH4"	18.033823
"795654"	408.256423	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+NH4"	18.033823
"1691983"	148.108023	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+NH4"	18.033823
"338074"	139.5947495	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H+NH4"	19.041099
"730496"	204.6318495	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H+NH4"	19.041099
"1482130"	74.5576495	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+NH4"	19.041099
"395343"	283.137618	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Na"	22.989218
"757432"	413.211818	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+Na"	22.989218
"1608807"	153.063418	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na"	22.989218
"316659"	142.072447	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H+Na"	23.996494
"710173"	207.109547	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H+Na"	23.996494
"1462534"	77.035347	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+Na"	23.996494
"1058339"	51.6926566666667	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2H+Na"	25.00377
"1260016"	163.107686	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+CH3OH+H"	33.033486
"379685"	299.111558	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+K"	38.963158
"741412"	429.185758	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+K"	38.963158
"1540913"	169.037358	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K"	38.963158
"298854"	150.059417	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H+K"	39.970434
"691602"	215.096517	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H+K"	39.970434
"1445797"	85.022317	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+K"	39.970434
"235728"	302.182226	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+ACN+H"	42.033826
"1210745"	172.108026	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+ACN+H"	42.033826
"1194298"	86.557651	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+ACN+2H"	43.041102
"189560"	305.11956	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2Na-H"	44.97116
"630345"	435.19376	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2Na-H"	44.97116
"1136038"	175.04536	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2Na-H"	44.97116
"185896"	153.063418	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2Na"	45.978436
"625088"	218.100518	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2Na"	45.978436
"1126771"	88.026318	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2Na"	45.978436
"1412489"	59.0199706666667	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+2Na"	46.985712
"1444976"	177.086946	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+HCOOH"	47.012746
"235030"	158.09644	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+3H2O+2H"	56.04448
"1520538"	191.13899	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+IsoProp+H"	61.06479
"415488"	161.050388	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Na+K"	61.952376
"778672"	226.087488	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+Na+K"	61.952376
"1678283"	96.013288	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na+K"	61.952376
"258242"	324.164168	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+ACN+Na"	64.015768
"1234232"	194.089968	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+ACN+Na"	64.015768
"1722025"	194.113493	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+NH4+HCOOH"	64.039293
"1180450"	66.3472846666667	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+3Na"	68.967654
"1652898"	199.068888	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na+HCOOH"	68.994688
"166321"	337.06744	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2K-H"	76.91904
"604788"	467.14164	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2K-H"	76.91904
"1090393"	206.99324	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2K-H"	76.91904
"148305"	169.037358	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2K"	77.926316
"591146"	234.074458	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2K"	77.926316
"1072378"	104.000258	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2K"	77.926316
"1107775"	209.007792	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2K+H"	78.933592
"1340880"	209.095407	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+DMSO+H"	79.021207
"1011595"	213.134576	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2ACN+H"	83.060376
"1526440"	214.128208	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+IsoProp+Na+H"	84.054008
"991794"	107.070926	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2ACN+2H"	84.067652
"1589579"	215.042828	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K+HCOOH"	84.968628
"1418520"	245.074338	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+CF3COOH"	115.000138
"1153190"	127.584201	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+3ACN+2H"	125.094202
"1707115"	262.100885	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+NH4+CF3COOH"	132.026685
"1646048"	267.05628	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na+CF3COOH"	136.98208
"1577325"	283.03022	"C19780"	"(R)-Piperazine-2-carboxylate;(R)-Piperazine-2-carboxylic acid;(R)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K+CF3COOH"	152.95602
"807695"	114.0793	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M"	0
"976853"	95.06091	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-H2O-H"	-19.01839
"63635"	75.0455906666667	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M-3H"	-3.021828
"506841"	113.072024	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M-3H"	-3.021828
"880032"	37.0191573333333	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-3H"	-3.021828
"295"	113.072024	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M-2H"	-2.014552
"442778"	170.111674	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M-2H"	-2.014552
"821673"	56.032374	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-2H"	-2.014552
"79352"	227.151324	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M-H"	-1.007276
"518666"	341.230624	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M-H"	-1.007276
"900123"	113.072024	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-H"	-1.007276
"51216"	244.177871	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M-2H+NH4"	16.019271
"492965"	358.257171	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M-2H+NH4"	16.019271
"875144"	130.098571	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-2H+NH4"	16.019271
"38669"	249.133266	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M-2H+Na"	20.974666
"478229"	363.212566	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M-2H+Na"	20.974666
"851657"	135.053966	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-2H+Na"	20.974666
"1618959"	135.053966	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Na-2H"	20.974666
"94837"	131.060363	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M-H+Cl"	33.962126
"538018"	188.100013	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M-H+Cl"	33.962126
"932629"	74.020713	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-H+Cl"	33.962126
"275926"	263.128002	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+Cl"	34.969402
"669440"	377.207302	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+Cl"	34.969402
"1275280"	149.048702	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Cl"	34.969402
"23302"	265.107206	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M-2H+K"	36.948606
"459583"	379.186506	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M-2H+K"	36.948606
"837385"	151.027906	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-2H+K"	36.948606
"1557227"	151.027906	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+K-2H"	36.948606
"946570"	159.077494	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-H+HCOOH"	44.998194
"362227"	273.156801	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+HCOOH-H"	44.998201
"346239"	287.172451	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+Hac-H"	59.013851
"1500789"	173.093151	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Hac-H"	59.013851
"960303"	181.059451	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-H+NaCOOH"	66.980151
"111767"	149.048702	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+2Cl"	69.938804
"558983"	206.088352	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+2Cl"	69.938804
"1029970"	92.009052	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2Cl"	69.938804
"1248455"	192.998185	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Br"	78.918885
"1316371"	195.054172	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Cl+HCOOH"	80.974872
"1330588"	217.036129	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Cl+NaCOOH"	102.956829
"916178"	227.064886	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M-H+CF3COOH"	112.985586
"1292887"	263.041564	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Cl+CF3COOH"	148.962264
"1368495"	79.066624	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H-2H2O"	-35.012676
"1385265"	97.0766	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H-H2O"	-17.0027
"287137"	229.165876	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+H"	1.007276
"677736"	343.245176	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+H"	1.007276
"1355910"	115.086576	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H"	1.007276
"136454"	115.086576	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+2H"	2.014552
"574920"	172.126226	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+2H"	2.014552
"1048094"	58.046926	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2H"	2.014552
"217819"	77.0601426666667	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+3H"	3.021828
"654465"	115.086576	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+3H"	3.021828
"1173681"	39.0337093333333	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+3H"	3.021828
"431486"	246.192423	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+NH4"	18.033823
"796855"	360.271723	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+NH4"	18.033823
"1690998"	132.113123	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+NH4"	18.033823
"340371"	123.5998495	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+H+NH4"	19.041099
"729514"	180.6394995	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+H+NH4"	19.041099
"1484426"	66.5601995	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H+NH4"	19.041099
"396547"	251.147818	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+Na"	22.989218
"759732"	365.227118	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+Na"	22.989218
"1607461"	137.068518	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Na"	22.989218
"316770"	126.077547	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+H+Na"	23.996494
"710649"	183.117197	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+H+Na"	23.996494
"1467386"	69.037897	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H+Na"	23.996494
"1059543"	46.3610233333333	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2H+Na"	25.00377
"1259398"	147.112786	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+CH3OH+H"	33.033486
"378703"	267.121758	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+K"	38.963158
"740065"	381.201058	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+K"	38.963158
"1541754"	153.042458	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+K"	38.963158
"298927"	134.064517	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+H+K"	39.970434
"692807"	191.104167	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+H+K"	39.970434
"1446625"	77.024867	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H+K"	39.970434
"236038"	270.192426	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+ACN+H"	42.033826
"1211220"	156.113126	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+ACN+H"	42.033826
"1194535"	78.560201	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+ACN+2H"	43.041102
"190888"	273.12976	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+2Na-H"	44.97116
"628596"	387.20906	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+2Na-H"	44.97116
"1133961"	159.05046	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2Na-H"	44.97116
"183818"	137.068518	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+2Na"	45.978436
"623376"	194.108168	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+2Na"	45.978436
"1123601"	80.028868	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2Na"	45.978436
"1413373"	53.6883373333333	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H+2Na"	46.985712
"1444472"	161.092046	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H+HCOOH"	47.012746
"231857"	142.10154	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+3H2O+2H"	56.04448
"1520649"	175.14409	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+IsoProp+H"	61.06479
"414504"	145.055488	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+Na+K"	61.952376
"778782"	202.095138	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+Na+K"	61.952376
"1676206"	88.015838	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Na+K"	61.952376
"259445"	292.174368	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+ACN+Na"	64.015768
"1235435"	178.095068	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+ACN+Na"	64.015768
"1721041"	178.118593	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+NH4+HCOOH"	64.039293
"1179833"	61.0156513333333	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+3Na"	68.967654
"1654101"	183.073988	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Na+HCOOH"	68.994688
"160963"	305.07764	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+2K-H"	76.91904
"605991"	419.15694	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+2K-H"	76.91904
"1089410"	190.99834	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2K-H"	76.91904
"145133"	153.042458	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"2M+2K"	77.926316
"584694"	210.082108	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"3M+2K"	77.926316
"1072488"	96.002808	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2K"	77.926316
"1103510"	193.012892	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2K+H"	78.933592
"1336735"	193.100507	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+DMSO+H"	79.021207
"1006235"	197.139676	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2ACN+H"	83.060376
"1524315"	198.133308	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+IsoProp+Na+H"	84.054008
"991174"	99.073476	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+2ACN+2H"	84.067652
"1587376"	199.047928	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+K+HCOOH"	84.968628
"1414417"	229.079438	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+H+CF3COOH"	115.000138
"1153300"	119.586751	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+3ACN+2H"	125.094202
"1706132"	246.105985	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+NH4+CF3COOH"	132.026685
"1647251"	251.06138	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+Na+CF3COOH"	136.98208
"1577435"	267.03532	"C19781"	"L-Prolinamide;(S)-Pyrrolidine-2-carboxamide"	"C5H10N2O"	"114.0793"	"M+K+CF3COOH"	152.95602
"813272"	129.0902	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M"	0
"976963"	110.07181	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H2O-H"	-19.01839
"63623"	85.0528573333333	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-3H"	-3.021828
"505858"	128.082924	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-3H"	-3.021828
"881473"	42.0227906666667	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-3H"	-3.021828
"893"	128.082924	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H"	-2.014552
"440823"	192.628024	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H"	-2.014552
"821783"	63.537824	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H"	-2.014552
"79341"	257.173124	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-H"	-1.007276
"519752"	386.263324	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-H"	-1.007276
"903515"	128.082924	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H"	-1.007276
"51326"	274.199671	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H+NH4"	16.019271
"496357"	403.289871	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H+NH4"	16.019271
"873067"	145.109471	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H+NH4"	16.019271
"35499"	279.155066	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H+Na"	20.974666
"476152"	408.245266	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H+Na"	20.974666
"850674"	150.064866	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H+Na"	20.974666
"1619111"	150.064866	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na-2H"	20.974666
"95275"	146.071263	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-H+Cl"	33.962126
"536062"	210.616363	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-H+Cl"	33.962126
"932374"	81.526163	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+Cl"	33.962126
"278221"	293.149802	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Cl"	34.969402
"669550"	422.240002	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+Cl"	34.969402
"1276485"	164.059602	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl"	34.969402
"25599"	295.129006	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M-2H+K"	36.948606
"461881"	424.219206	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M-2H+K"	36.948606
"834943"	166.038806	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-2H+K"	36.948606
"1559162"	166.038806	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K-2H"	36.948606
"947776"	174.088394	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+HCOOH"	44.998194
"362460"	303.178601	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+HCOOH-H"	44.998201
"346957"	317.194251	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Hac-H"	59.013851
"1495431"	188.104051	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Hac-H"	59.013851
"959443"	196.070351	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+NaCOOH"	66.980151
"111877"	164.059602	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2Cl"	69.938804
"555813"	228.604702	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2Cl"	69.938804
"1034455"	99.514502	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2Cl"	69.938804
"1250752"	208.009085	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Br"	78.918885
"1316481"	210.065072	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl+HCOOH"	80.974872
"1331792"	232.047029	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl+NaCOOH"	102.956829
"916289"	242.075786	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M-H+CF3COOH"	112.985586
"1294090"	278.052464	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Cl+CF3COOH"	148.962264
"1371157"	94.077524	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H-2H2O"	-35.012676
"1385375"	112.0875	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H-H2O"	-17.0027
"286154"	259.187676	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H"	1.007276
"678575"	388.277876	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H"	1.007276
"1353834"	130.097476	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H"	1.007276
"137658"	130.097476	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2H"	2.014552
"575031"	194.642576	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2H"	2.014552
"1051120"	65.552376	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2H"	2.014552
"215016"	87.0674093333333	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+3H"	3.021828
"651297"	130.097476	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+3H"	3.021828
"1172698"	44.0373426666667	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+3H"	3.021828
"431596"	276.214223	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+NH4"	18.033823
"793685"	405.304423	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+NH4"	18.033823
"1687829"	147.124023	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+NH4"	18.033823
"339388"	138.6107495	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H+NH4"	19.041099
"730717"	203.1558495	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H+NH4"	19.041099
"1484536"	74.0656495	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+NH4"	19.041099
"397749"	281.169618	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Na"	22.989218
"758745"	410.259818	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+Na"	22.989218
"1609029"	152.079418	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na"	22.989218
"319067"	141.088447	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H+Na"	23.996494
"710395"	205.633547	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H+Na"	23.996494
"1467495"	76.543347	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+Na"	23.996494
"1057466"	51.3646566666667	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2H+Na"	25.00377
"1257683"	162.123686	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+CH3OH+H"	33.033486
"377962"	297.143558	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+K"	38.963158
"741998"	426.233758	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+K"	38.963158
"1540400"	168.053358	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K"	38.963158
"298913"	149.075417	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+H+K"	39.970434
"692553"	213.620517	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+H+K"	39.970434
"1447099"	84.530317	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+K"	39.970434
"242632"	300.214226	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+ACN+H"	42.033826
"1214610"	171.124026	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+ACN+H"	42.033826
"1200316"	86.065651	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+ACN+2H"	43.041102
"190998"	303.15156	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2Na-H"	44.97116
"630927"	432.24176	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2Na-H"	44.97116
"1133342"	174.06136	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2Na-H"	44.97116
"183928"	152.079418	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2Na"	45.978436
"624579"	216.624518	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2Na"	45.978436
"1125898"	87.534318	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2Na"	45.978436
"1409060"	58.6919706666667	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+2Na"	46.985712
"1441540"	176.102946	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+HCOOH"	47.012746
"231602"	157.11244	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+3H2O+2H"	56.04448
"1520757"	190.15499	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+IsoProp+H"	61.06479
"412427"	160.066388	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+Na+K"	61.952376
"775611"	224.611488	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+Na+K"	61.952376
"1674129"	95.521288	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na+K"	61.952376
"258462"	322.196168	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+ACN+Na"	64.015768
"1234452"	193.105968	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+ACN+Na"	64.015768
"1721151"	193.129493	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+NH4+HCOOH"	64.039293
"1179214"	66.0192846666667	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+3Na"	68.967654
"1654211"	198.084888	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na+HCOOH"	68.994688
"161073"	335.09944	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2K-H"	76.91904
"599539"	464.18964	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2K-H"	76.91904
"1087333"	206.00924	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2K-H"	76.91904
"143416"	168.053358	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"2M+2K"	77.926316
"582977"	232.598458	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"3M+2K"	77.926316
"1072598"	103.508258	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2K"	77.926316
"1101433"	208.023792	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2K+H"	78.933592
"1336839"	208.111407	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+DMSO+H"	79.021207
"1007070"	212.150576	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2ACN+H"	83.060376
"1524587"	213.144208	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+IsoProp+Na+H"	84.054008
"992014"	106.578926	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+2ACN+2H"	84.067652
"1587606"	214.058828	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K+HCOOH"	84.968628
"1414520"	244.090338	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+H+CF3COOH"	115.000138
"1153409"	127.092201	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+3ACN+2H"	125.094202
"1706242"	261.116885	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+NH4+CF3COOH"	132.026685
"1641893"	266.07228	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+Na+CF3COOH"	136.98208
"1578638"	282.04622	"C19782"	"(S)-Piperazine-2-carboxamide"	"C5H11N3O"	"129.0902"	"M+K+CF3COOH"	152.95602
"811195"	130.0742	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M"	0
"978167"	111.05581	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H2O-H"	-19.01839
"65315"	85.7088573333333	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-3H"	-3.021828
"504874"	129.066924	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-3H"	-3.021828
"883770"	42.3507906666667	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-3H"	-3.021828
"2217"	129.066924	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H"	-2.014552
"441905"	194.104024	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H"	-2.014552
"821893"	64.029824	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H"	-2.014552
"79574"	259.141124	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-H"	-1.007276
"520348"	389.215324	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-H"	-1.007276
"905812"	129.066924	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H"	-1.007276
"50343"	276.167671	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H+NH4"	16.019271
"496467"	406.241871	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H+NH4"	16.019271
"873177"	146.093471	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H+NH4"	16.019271
"35609"	281.123066	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H+Na"	20.974666
"477356"	411.197266	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H+Na"	20.974666
"857345"	151.048866	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H+Na"	20.974666
"1625785"	151.048866	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na-2H"	20.974666
"95875"	147.055263	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-H+Cl"	33.962126
"536051"	212.092363	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-H+Cl"	33.962126
"933577"	82.018163	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+Cl"	33.962126
"276144"	295.117802	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Cl"	34.969402
"664193"	425.192002	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+Cl"	34.969402
"1275503"	165.043602	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl"	34.969402
"23523"	297.097006	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M-2H+K"	36.948606
"464177"	427.171206	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M-2H+K"	36.948606
"833719"	167.022806	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-2H+K"	36.948606
"1558908"	167.022806	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K-2H"	36.948606
"950073"	175.072394	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+HCOOH"	44.998194
"362935"	305.146601	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+HCOOH-H"	44.998201
"347431"	319.162251	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Hac-H"	59.013851
"1498821"	189.088051	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Hac-H"	59.013851
"959312"	197.054351	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+NaCOOH"	66.980151
"111988"	165.043602	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2Cl"	69.938804
"558110"	230.080702	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2Cl"	69.938804
"1029098"	100.006502	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2Cl"	69.938804
"1251957"	208.993085	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Br"	78.918885
"1316227"	211.049072	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl+HCOOH"	80.974872
"1334088"	233.031029	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl+NaCOOH"	102.956829
"921866"	243.059786	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M-H+CF3COOH"	112.985586
"1297481"	279.036464	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Cl+CF3COOH"	148.962264
"1375642"	95.061524	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H-2H2O"	-35.012676
"1388765"	113.0715	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H-H2O"	-17.0027
"289545"	261.155676	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H"	1.007276
"684153"	391.229876	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H"	1.007276
"1356131"	131.081476	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H"	1.007276
"132301"	131.081476	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2H"	2.014552
"572954"	196.118576	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2H"	2.014552
"1050137"	66.044376	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2H"	2.014552
"215126"	87.7234093333333	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+3H"	3.021828
"651407"	131.081476	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+3H"	3.021828
"1171715"	44.3653426666667	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+3H"	3.021828
"436810"	278.182223	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+NH4"	18.033823
"791608"	408.256423	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+NH4"	18.033823
"1693409"	148.108023	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+NH4"	18.033823
"339499"	139.5947495	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H+NH4"	19.041099
"729735"	204.6318495	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H+NH4"	19.041099
"1482825"	74.5576495	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+NH4"	19.041099
"402232"	283.137618	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Na"	22.989218
"763228"	413.211818	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+Na"	22.989218
"1612420"	153.063418	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na"	22.989218
"323550"	142.072447	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H+Na"	23.996494
"717065"	207.109547	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H+Na"	23.996494
"1471978"	77.035347	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+Na"	23.996494
"1057576"	51.6926566666667	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2H+Na"	25.00377
"1259618"	163.107686	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+CH3OH+H"	33.033486
"380018"	299.111558	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+K"	38.963158
"742108"	429.185758	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+K"	38.963158
"1540630"	169.037358	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K"	38.963158
"299509"	150.059417	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+H+K"	39.970434
"693756"	215.096517	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+H+K"	39.970434
"1447938"	85.022317	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+K"	39.970434
"237276"	302.182226	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+ACN+H"	42.033826
"1215449"	172.108026	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+ACN+H"	42.033826
"1202612"	86.557651	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+ACN+2H"	43.041102
"192204"	305.11956	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2Na-H"	44.97116
"631764"	435.19376	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2Na-H"	44.97116
"1137460"	175.04536	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2Na-H"	44.97116
"185498"	153.063418	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2Na"	45.978436
"621411"	218.100518	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2Na"	45.978436
"1123822"	88.026318	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2Na"	45.978436
"1410993"	59.0199706666667	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+2Na"	46.985712
"1442745"	177.086946	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+HCOOH"	47.012746
"233536"	158.09644	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+3H2O+2H"	56.04448
"1521597"	191.13899	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+IsoProp+H"	61.06479
"415817"	161.050388	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+Na+K"	61.952376
"774628"	226.087488	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+Na+K"	61.952376
"1674239"	96.013288	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na+K"	61.952376
"259665"	324.164168	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+ACN+Na"	64.015768
"1229094"	194.089968	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+ACN+Na"	64.015768
"1721261"	194.113493	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+NH4+HCOOH"	64.039293
"1181147"	66.3472846666667	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+3Na"	68.967654
"1651404"	199.068888	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na+HCOOH"	68.994688
"162276"	337.06744	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2K-H"	76.91904
"600742"	467.14164	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2K-H"	76.91904
"1085740"	206.99324	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2K-H"	76.91904
"144257"	169.037358	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"2M+2K"	77.926316
"583819"	234.074458	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"3M+2K"	77.926316
"1072708"	104.000258	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2K"	77.926316
"1105917"	209.007792	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2K+H"	78.933592
"1337196"	209.095407	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+DMSO+H"	79.021207
"1007302"	213.134576	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2ACN+H"	83.060376
"1525428"	214.128208	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+IsoProp+Na+H"	84.054008
"990906"	107.070926	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+2ACN+2H"	84.067652
"1589540"	215.042828	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K+HCOOH"	84.968628
"1415197"	245.074338	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+H+CF3COOH"	115.000138
"1151331"	127.584201	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+3ACN+2H"	125.094202
"1706352"	262.100885	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+NH4+CF3COOH"	132.026685
"1638723"	267.05628	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+Na+CF3COOH"	136.98208
"1578748"	283.03022	"C19783"	"(S)-Piperazine-2-carboxylate;(S)-Piperazine-2-carboxylic acid;(S)-2-Piperazinecarboxylate"	"C5H10N2O2"	"130.0742"	"M+K+CF3COOH"	152.95602
"815679"	383.1428	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M"	0
"981557"	364.12441	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-H2O-H"	-19.01839
"65425"	254.421257333333	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M-3H"	-3.021828
"507171"	382.135524	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M-3H"	-3.021828
"888253"	126.706990666667	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-3H"	-3.021828
"7921"	382.135524	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M-2H"	-2.014552
"445295"	573.706924	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M-2H"	-2.014552
"824190"	190.564124	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-2H"	-2.014552
"79804"	765.278324	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M-H"	-1.007276
"524828"	1148.421124	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M-H"	-1.007276
"896439"	382.135524	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-H"	-1.007276
"47773"	782.304871	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M-2H+NH4"	16.019271
"495484"	1165.447671	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M-2H+NH4"	16.019271
"866723"	399.162071	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-2H+NH4"	16.019271
"34625"	787.260266	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M-2H+Na"	20.974666
"480746"	1170.403066	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M-2H+Na"	20.974666
"853081"	404.117466	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-2H+Na"	20.974666
"1623709"	404.117466	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Na-2H"	20.974666
"96958"	400.123863	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M-H+Cl"	33.962126
"541266"	591.695263	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M-H+Cl"	33.962126
"934416"	208.552463	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-H+Cl"	33.962126
"274066"	801.255002	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+Cl"	34.969402
"665394"	1184.397802	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+Cl"	34.969402
"1279257"	418.112202	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Cl"	34.969402
"22538"	803.234206	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M-2H+K"	36.948606
"462100"	1186.377006	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M-2H+K"	36.948606
"840997"	420.091406	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-2H+K"	36.948606
"1561205"	420.091406	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+K-2H"	36.948606
"952368"	428.140994	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-H+HCOOH"	44.998194
"365115"	811.283801	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+HCOOH-H"	44.998201
"350093"	825.299451	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+Hac-H"	59.013851
"1498930"	442.156651	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Hac-H"	59.013851
"959909"	450.122951	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-H+NaCOOH"	66.980151
"112098"	418.112202	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+2Cl"	69.938804
"554940"	609.683602	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+2Cl"	69.938804
"1030301"	226.540802	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2Cl"	69.938804
"1253160"	462.061685	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Br"	78.918885
"1316701"	464.117672	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Cl+HCOOH"	80.974872
"1334198"	486.099629	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Cl+NaCOOH"	102.956829
"919789"	496.128386	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M-H+CF3COOH"	112.985586
"1296497"	532.105064	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Cl+CF3COOH"	148.962264
"1377938"	348.130124	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H-2H2O"	-35.012676
"1389969"	366.1401	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H-H2O"	-17.0027
"296215"	767.292876	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+H"	1.007276
"684263"	1150.435676	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+H"	1.007276
"1361708"	384.150076	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H"	1.007276
"135691"	384.150076	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+2H"	2.014552
"576346"	575.721476	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+2H"	2.014552
"1052695"	192.578676	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2H"	2.014552
"218881"	256.435809333333	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+3H"	3.021828
"659535"	384.150076	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+3H"	3.021828
"1176929"	128.721542666667	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+3H"	3.021828
"439108"	784.319423	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+NH4"	18.033823
"793906"	1167.462223	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+NH4"	18.033823
"1693885"	401.176623	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+NH4"	18.033823
"342526"	392.6633495	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+H+NH4"	19.041099
"733125"	584.2347495	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+H+NH4"	19.041099
"1489861"	201.0919495	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H+NH4"	19.041099
"405623"	789.274818	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+Na"	22.989218
"768804"	1172.417618	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+Na"	22.989218
"1614716"	406.132018	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Na"	22.989218
"326941"	395.141047	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+H+Na"	23.996494
"717176"	586.712447	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+H+Na"	23.996494
"1469904"	203.569647	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H+Na"	23.996494
"1058779"	136.048856666667	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2H+Na"	25.00377
"1260457"	416.176286	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+CH3OH+H"	33.033486
"380128"	805.248758	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+K"	38.963158
"743312"	1188.391558	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+K"	38.963158
"1540623"	422.105958	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+K"	38.963158
"300715"	403.128017	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+H+K"	39.970434
"702615"	594.699417	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+H+K"	39.970434
"1452060"	211.556617	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H+K"	39.970434
"240666"	808.319426	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+ACN+H"	42.033826
"1218839"	425.176626	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+ACN+H"	42.033826
"1203816"	213.091951	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+ACN+2H"	43.041102
"197782"	811.25676	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+2Na-H"	44.97116
"635156"	1194.39956	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+2Na-H"	44.97116
"1140850"	428.11396	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2Na-H"	44.97116
"184877"	406.132018	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+2Na"	45.978436
"622614"	597.703418	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+2Na"	45.978436
"1123932"	214.560618	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2Na"	45.978436
"1408551"	143.376170666667	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H+2Na"	46.985712
"1440667"	430.155546	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H+HCOOH"	47.012746
"233646"	411.16504	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+3H2O+2H"	56.04448
"1521708"	444.20759	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+IsoProp+H"	61.06479
"413741"	414.118988	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+Na+K"	61.952376
"772550"	605.690388	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+Na+K"	61.952376
"1676536"	222.547588	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Na+K"	61.952376
"261962"	830.301368	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+ACN+Na"	64.015768
"1234671"	447.158568	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+ACN+Na"	64.015768
"1720278"	447.182093	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+NH4+HCOOH"	64.039293
"1181257"	150.703484666667	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+3Na"	68.967654
"1655522"	452.137488	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Na+HCOOH"	68.994688
"160198"	843.20464	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+2K-H"	76.91904
"600852"	1226.34744	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+2K-H"	76.91904
"1091925"	460.06184	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2K-H"	76.91904
"148741"	422.105958	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"2M+2K"	77.926316
"585022"	613.677358	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"3M+2K"	77.926316
"1078282"	230.534558	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2K"	77.926316
"1106023"	462.076392	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2K+H"	78.933592
"1339129"	462.164007	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+DMSO+H"	79.021207
"1006565"	466.203176	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2ACN+H"	83.060376
"1525786"	467.196808	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+IsoProp+Na+H"	84.054008
"992234"	233.605226	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+2ACN+2H"	84.067652
"1588316"	468.111428	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+K+HCOOH"	84.968628
"1414822"	498.142938	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+H+CF3COOH"	115.000138
"1154723"	254.118501	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+3ACN+2H"	125.094202
"1706462"	515.169485	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+NH4+CF3COOH"	132.026685
"1644301"	520.12488	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+Na+CF3COOH"	136.98208
"1578858"	536.09882	"C19784"	"1-O-2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl-D-myo-Inositol;1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol"	"C14H25NO11"	"383.1428"	"M+K+CF3COOH"	152.95602
"811415"	502.25	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M"	0
"978387"	483.23161	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-H2O-H"	-19.01839
"64441"	333.826057333333	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M-3H"	-3.021828
"504001"	501.242724	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M-3H"	-3.021828
"887270"	166.409390666667	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-3H"	-3.021828
"2564"	501.242724	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M-2H"	-2.014552
"441031"	752.367724	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M-2H"	-2.014552
"822113"	250.117724	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-2H"	-2.014552
"78682"	1003.492724	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M-H"	-1.007276
"519958"	1505.742724	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M-H"	-1.007276
"896058"	501.242724	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-H"	-1.007276
"47399"	1020.519271	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M-2H+NH4"	16.019271
"488053"	1522.769271	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M-2H+NH4"	16.019271
"866832"	518.269271	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-2H+NH4"	16.019271
"33640"	1025.474666	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M-2H+Na"	20.974666
"477576"	1527.724666	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M-2H+Na"	20.974666
"853189"	523.224666	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-2H+Na"	20.974666
"1621632"	523.224666	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Na-2H"	20.974666
"94347"	519.231063	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M-H+Cl"	33.962126
"544292"	770.356063	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M-H+Cl"	33.962126
"937806"	268.106063	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-H+Cl"	33.962126
"277457"	1039.469402	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+Cl"	34.969402
"660766"	1541.719402	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+Cl"	34.969402
"1273170"	537.219402	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Cl"	34.969402
"18635"	1041.448606	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M-2H+K"	36.948606
"459656"	1543.698606	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M-2H+K"	36.948606
"837827"	539.198606	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-2H+K"	36.948606
"1559128"	539.198606	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+K-2H"	36.948606
"951385"	547.248194	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-H+HCOOH"	44.998194
"365225"	1049.498201	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+HCOOH-H"	44.998201
"349110"	1063.513851	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+Hac-H"	59.013851
"1497948"	561.263851	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Hac-H"	59.013851
"958926"	569.230151	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-H+NaCOOH"	66.980151
"114395"	537.219402	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+2Cl"	69.938804
"557237"	788.344402	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+2Cl"	69.938804
"1029318"	286.094402	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2Cl"	69.938804
"1251083"	581.168885	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Br"	78.918885
"1315718"	583.224872	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Cl+HCOOH"	80.974872
"1334797"	605.206829	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Cl+NaCOOH"	102.956829
"922086"	615.235586	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M-H+CF3COOH"	112.985586
"1300981"	651.212264	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Cl+CF3COOH"	148.962264
"1378049"	467.237324	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H-2H2O"	-35.012676
"1392266"	485.2473	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H-H2O"	-17.0027
"293047"	1005.507276	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+H"	1.007276
"686561"	1507.757276	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+H"	1.007276
"1361818"	503.257276	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H"	1.007276
"131428"	503.257276	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+2H"	2.014552
"579372"	754.382276	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+2H"	2.014552
"1051451"	252.132276	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2H"	2.014552
"215344"	335.840609333333	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+3H"	3.021828
"658551"	503.257276	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+3H"	3.021828
"1176676"	168.423942666667	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+3H"	3.021828
"437760"	1022.533823	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+NH4"	18.033823
"794016"	1524.783823	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+NH4"	18.033823
"1692535"	520.283823	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+NH4"	18.033823
"340815"	511.7705495	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+H+NH4"	19.041099
"731047"	762.8955495	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+H+NH4"	19.041099
"1489971"	260.6455495	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H+NH4"	19.041099
"404640"	1027.489218	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+Na"	22.989218
"764542"	1529.739218	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+Na"	22.989218
"1611547"	525.239218	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Na"	22.989218
"323772"	514.248247	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+H+Na"	23.996494
"717288"	765.373247	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+H+Na"	23.996494
"1470015"	263.123247	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H+Na"	23.996494
"1055607"	175.751256666667	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2H+Na"	25.00377
"1258743"	535.283486	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+CH3OH+H"	33.033486
"378050"	1043.463158	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+K"	38.963158
"740139"	1545.713158	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+K"	38.963158
"1541217"	541.213158	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+K"	38.963158
"298879"	522.235217	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+H+K"	39.970434
"697258"	773.360217	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+H+K"	39.970434
"1448893"	271.110217	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H+K"	39.970434
"239681"	1046.533826	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+ACN+H"	42.033826
"1216764"	544.283826	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+ACN+H"	42.033826
"1202833"	272.645551	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+ACN+2H"	43.041102
"192428"	1049.47116	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+2Na-H"	44.97116
"635266"	1551.72116	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+2Na-H"	44.97116
"1137681"	547.22116	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2Na-H"	44.97116
"184258"	525.239218	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+2Na"	45.978436
"621631"	776.364218	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+2Na"	45.978436
"1129876"	274.114218	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2Na"	45.978436
"1411944"	183.078570666667	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H+2Na"	46.985712
"1445157"	549.262746	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H+HCOOH"	47.012746
"234122"	530.27224	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+3H2O+2H"	56.04448
"1523887"	563.31479	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+IsoProp+H"	61.06479
"416038"	533.226188	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+Na+K"	61.952376
"773754"	784.351188	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+Na+K"	61.952376
"1673366"	282.101188	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Na+K"	61.952376
"260979"	1068.515768	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+ACN+Na"	64.015768
"1233688"	566.265768	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+ACN+Na"	64.015768
"1720388"	566.289293	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+NH4+HCOOH"	64.039293
"1184647"	190.405884666667	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+3Na"	68.967654
"1652353"	571.244688	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Na+HCOOH"	68.994688
"160309"	1081.41904	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+2K-H"	76.91904
"602055"	1583.66904	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+2K-H"	76.91904
"1096409"	579.16904	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2K-H"	76.91904
"151039"	541.213158	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"2M+2K"	77.926316
"585133"	792.338158	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"3M+2K"	77.926316
"1078392"	290.088158	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2K"	77.926316
"1107228"	581.183592	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2K+H"	78.933592
"1339241"	581.271207	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+DMSO+H"	79.021207
"1007040"	585.310376	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2ACN+H"	83.060376
"1524324"	586.304008	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+IsoProp+Na+H"	84.054008
"997811"	293.158826	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+2ACN+2H"	84.067652
"1590128"	587.218628	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+K+HCOOH"	84.968628
"1414813"	617.250138	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+H+CF3COOH"	115.000138
"1155926"	313.672101	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+3ACN+2H"	125.094202
"1706572"	634.276685	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+NH4+CF3COOH"	132.026685
"1646598"	639.23208	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+Na+CF3COOH"	136.98208
"1581155"	655.20602	"C19785"	"Streptothricin F;Racemomycin A"	"C19H34N8O8"	"502.25"	"M+K+CF3COOH"	152.95602
"813712"	520.2605	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M"	0
"978497"	501.24211	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-H2O-H"	-19.01839
"67833"	345.833057333333	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M-3H"	-3.021828
"504840"	519.253224	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M-3H"	-3.021828
"886287"	172.412890666667	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-3H"	-3.021828
"2674"	519.253224	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M-2H"	-2.014552
"441141"	779.383474	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M-2H"	-2.014552
"822223"	259.122974	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-2H"	-2.014552
"80026"	1039.513724	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M-H"	-1.007276
"520798"	1559.774224	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M-H"	-1.007276
"898600"	519.253224	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-H"	-1.007276
"48118"	1056.540271	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M-2H+NH4"	16.019271
"487800"	1576.800771	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M-2H+NH4"	16.019271
"865849"	536.279771	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-2H+NH4"	16.019271
"32657"	1061.495666	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M-2H+Na"	20.974666
"477686"	1581.756166	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M-2H+Na"	20.974666
"853300"	541.235166	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-2H+Na"	20.974666
"1622834"	541.235166	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Na-2H"	20.974666
"95720"	537.241563	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M-H+Cl"	33.962126
"546587"	797.371813	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M-H+Cl"	33.962126
"936823"	277.111313	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-H+Cl"	33.962126
"277566"	1075.490402	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+Cl"	34.969402
"662696"	1595.750902	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+Cl"	34.969402
"1274127"	555.229902	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Cl"	34.969402
"20570"	1077.469606	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M-2H+K"	36.948606
"459040"	1597.730106	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M-2H+K"	36.948606
"833928"	557.209106	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-2H+K"	36.948606
"1557416"	557.209106	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+K-2H"	36.948606
"949309"	565.258694	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-H+HCOOH"	44.998194
"365335"	1085.519201	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+HCOOH-H"	44.998201
"348484"	1099.534851	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+Hac-H"	59.013851
"1493681"	579.274351	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Hac-H"	59.013851
"959879"	587.240651	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-H+NaCOOH"	66.980151
"116692"	555.229902	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+2Cl"	69.938804
"555160"	815.360152	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+2Cl"	69.938804
"1030521"	295.099652	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2Cl"	69.938804
"1252286"	599.179385	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Br"	78.918885
"1318015"	601.235372	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Cl+HCOOH"	80.974872
"1333325"	623.217329	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Cl+NaCOOH"	102.956829
"924382"	633.246086	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M-H+CF3COOH"	112.985586
"1303403"	669.222764	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Cl+CF3COOH"	148.962264
"1382577"	485.247824	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H-2H2O"	-35.012676
"1394562"	503.2578	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H-H2O"	-17.0027
"294250"	1041.528276	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+H"	1.007276
"688858"	1561.788776	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+H"	1.007276
"1363022"	521.267776	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H"	1.007276
"135912"	521.267776	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+2H"	2.014552
"580577"	781.398026	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+2H"	2.014552
"1046459"	261.137526	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2H"	2.014552
"214361"	347.847609333333	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+3H"	3.021828
"657569"	521.267776	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+3H"	3.021828
"1177395"	174.427442666667	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+3H"	3.021828
"436411"	1058.554823	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+NH4"	18.033823
"795220"	1578.815323	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+NH4"	18.033823
"1694104"	538.294323	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+NH4"	18.033823
"342383"	529.7810495	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+H+NH4"	19.041099
"732252"	789.9112995	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+H+NH4"	19.041099
"1489352"	269.6507995	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H+NH4"	19.041099
"402565"	1063.510218	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+Na"	22.989218
"768786"	1583.770718	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+Na"	22.989218
"1612753"	543.249718	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Na"	22.989218
"324976"	532.258747	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+H+Na"	23.996494
"715209"	792.388997	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+H+Na"	23.996494
"1467938"	272.128497	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H+Na"	23.996494
"1057903"	181.754756666667	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2H+Na"	25.00377
"1259581"	553.293986	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+CH3OH+H"	33.033486
"378524"	1079.484158	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+K"	38.963158
"739640"	1599.744658	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+K"	38.963158
"1547768"	559.223658	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+K"	38.963158
"302759"	540.245717	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+H+K"	39.970434
"700648"	800.375967	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+H+K"	39.970434
"1450096"	280.115467	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H+K"	39.970434
"241978"	1082.554826	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+ACN+H"	42.033826
"1219059"	562.294326	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+ACN+H"	42.033826
"1204037"	281.650801	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+ACN+2H"	43.041102
"198001"	1085.49216	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+2Na-H"	44.97116
"637560"	1605.75266	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+2Na-H"	44.97116
"1137792"	565.23166	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2Na-H"	44.97116
"178900"	543.249718	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+2Na"	45.978436
"618460"	803.379968	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+2Na"	45.978436
"1123059"	283.119468	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2Na"	45.978436
"1413271"	189.082070666667	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H+2Na"	46.985712
"1444905"	567.273246	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H+HCOOH"	47.012746
"233499"	548.28274	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+3H2O+2H"	56.04448
"1522297"	581.32529	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+IsoProp+H"	61.06479
"416148"	551.236688	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+Na+K"	61.952376
"773865"	811.366938	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+Na+K"	61.952376
"1672382"	291.106438	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Na+K"	61.952376
"261089"	1104.536768	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+ACN+Na"	64.015768
"1233798"	584.276268	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+ACN+Na"	64.015768
"1719405"	584.299793	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+NH4+HCOOH"	64.039293
"1185850"	196.409384666667	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+3Na"	68.967654
"1655741"	589.255188	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Na+HCOOH"	68.994688
"163697"	1117.44004	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+2K-H"	76.91904
"603258"	1637.70054	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+2K-H"	76.91904
"1095791"	597.17954	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2K-H"	76.91904
"150056"	559.223658	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"2M+2K"	77.926316
"586335"	819.353908	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"3M+2K"	77.926316
"1078502"	299.093408	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2K"	77.926316
"1110618"	599.194092	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2K+H"	78.933592
"1342629"	599.281707	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+DMSO+H"	79.021207
"1008973"	603.320876	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2ACN+H"	83.060376
"1525152"	604.314508	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+IsoProp+Na+H"	84.054008
"997920"	302.164076	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+2ACN+2H"	84.067652
"1593517"	605.229128	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+K+HCOOH"	84.968628
"1414554"	635.260638	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+H+CF3COOH"	115.000138
"1156036"	322.677351	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+3ACN+2H"	125.094202
"1706682"	652.287185	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+NH4+CF3COOH"	132.026685
"1647801"	657.24258	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+Na+CF3COOH"	136.98208
"1581265"	673.21652	"C19786"	"Streptothricin F acid"	"C19H36N8O9"	"520.2605"	"M+K+CF3COOH"	152.95602
"813822"	298.0736	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M"	0
"978606"	279.05521	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-H2O-H"	-19.01839
"66848"	197.708457333333	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M-3H"	-3.021828
"508596"	297.066324	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M-3H"	-3.021828
"889677"	98.3505906666667	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-3H"	-3.021828
"7158"	297.066324	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M-2H"	-2.014552
"448905"	446.103124	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M-2H"	-2.014552
"826707"	148.029524	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-2H"	-2.014552
"82325"	595.139924	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M-H"	-1.007276
"521153"	893.213524	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M-H"	-1.007276
"899682"	297.066324	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-H"	-1.007276
"48470"	612.166471	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M-2H+NH4"	16.019271
"489124"	910.240071	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M-2H+NH4"	16.019271
"865960"	314.092871	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-2H+NH4"	16.019271
"36048"	617.121866	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M-2H+Na"	20.974666
"477796"	915.195466	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M-2H+Na"	20.974666
"852318"	319.048266	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-2H+Na"	20.974666
"1624405"	319.048266	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Na-2H"	20.974666
"98746"	315.054663	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M-H+Cl"	33.962126
"542326"	464.091463	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M-H+Cl"	33.962126
"936934"	166.017863	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-H+Cl"	33.962126
"277678"	631.116602	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+Cl"	34.969402
"664632"	929.190202	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+Cl"	34.969402
"1274480"	333.043002	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Cl"	34.969402
"18495"	633.095806	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M-2H+K"	36.948606
"460244"	931.169406	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M-2H+K"	36.948606
"841328"	335.022206	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-2H+K"	36.948606
"1560442"	335.022206	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+K-2H"	36.948606
"951605"	343.071794	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-H+HCOOH"	44.998194
"365447"	641.145401	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+HCOOH-H"	44.998201
"348236"	655.161051	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+Hac-H"	59.013851
"1495980"	357.087451	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Hac-H"	59.013851
"960239"	365.053751	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-H+NaCOOH"	66.980151
"116802"	333.043002	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+2Cl"	69.938804
"554177"	482.079802	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+2Cl"	69.938804
"1032818"	184.006202	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2Cl"	69.938804
"1253489"	376.992485	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Br"	78.918885
"1318735"	379.048472	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Cl+HCOOH"	80.974872
"1335260"	401.030429	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Cl+NaCOOH"	102.956829
"924130"	411.059186	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M-H+CF3COOH"	112.985586
"1303269"	447.035864	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Cl+CF3COOH"	148.962264
"1382042"	263.060924	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H-2H2O"	-35.012676
"1396858"	281.0709	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H-H2O"	-17.0027
"295451"	597.154476	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+H"	1.007276
"686779"	895.228076	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+H"	1.007276
"1363131"	299.080876	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H"	1.007276
"139302"	299.080876	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+2H"	2.014552
"579229"	448.117676	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+2H"	2.014552
"1051309"	150.044076	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2H"	2.014552
"217389"	199.723009333333	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+3H"	3.021828
"655856"	299.080876	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+3H"	3.021828
"1176170"	100.365142666667	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+3H"	3.021828
"437616"	614.181023	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+NH4"	18.033823
"796425"	912.254623	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+NH4"	18.033823
"1693850"	316.107423	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+NH4"	18.033823
"340672"	307.5941495	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+H+NH4"	19.041099
"731268"	456.6309495	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+H+NH4"	19.041099
"1489098"	158.5573495	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H+NH4"	19.041099
"403768"	619.136418	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+Na"	22.989218
"768045"	917.210018	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+Na"	22.989218
"1613956"	321.062818	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Na"	22.989218
"327271"	310.071847	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+H+Na"	23.996494
"717509"	459.108647	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+H+Na"	23.996494
"1474245"	161.035047	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H+Na"	23.996494
"1058012"	107.692456666667	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2H+Na"	25.00377
"1262970"	331.107086	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+CH3OH+H"	33.033486
"378997"	635.110358	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+K"	38.963158
"742546"	933.183958	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+K"	38.963158
"1547878"	337.036758	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+K"	38.963158
"305056"	318.058817	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+H+K"	39.970434
"700758"	467.095617	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+H+K"	39.970434
"1453486"	169.022017	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H+K"	39.970434
"244275"	638.181026	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+ACN+H"	42.033826
"1220264"	340.107426	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+ACN+H"	42.033826
"1207429"	170.557351	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+ACN+2H"	43.041102
"197022"	641.11836	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+2Na-H"	44.97116
"639495"	939.19196	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+2Na-H"	44.97116
"1140085"	343.04476	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2Na-H"	44.97116
"177185"	321.062818	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+2Na"	45.978436
"618570"	470.099618	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+2Na"	45.978436
"1122076"	172.026018	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2Na"	45.978436
"1413256"	115.019770666667	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H+2Na"	46.985712
"1445011"	345.086346	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H+HCOOH"	47.012746
"230693"	326.09584	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+3H2O+2H"	56.04448
"1523705"	359.13839	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+IsoProp+H"	61.06479
"420633"	329.049788	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+Na+K"	61.952376
"773974"	478.086588	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+Na+K"	61.952376
"1669212"	180.012988	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Na+K"	61.952376
"260107"	660.162968	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+ACN+Na"	64.015768
"1231720"	362.089368	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+ACN+Na"	64.015768
"1719514"	362.112893	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+NH4+HCOOH"	64.039293
"1183775"	122.347084666667	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+3Na"	68.967654
"1655123"	367.068288	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Na+HCOOH"	68.994688
"163808"	673.06624	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+2K-H"	76.91904
"604463"	971.13984	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+2K-H"	76.91904
"1093349"	374.99264	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2K-H"	76.91904
"149073"	337.036758	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"2M+2K"	77.926316
"589727"	486.073558	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"3M+2K"	77.926316
"1079704"	187.999958	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2K"	77.926316
"1111821"	377.007192	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2K+H"	78.933592
"1342739"	377.094807	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+DMSO+H"	79.021207
"1009086"	381.133976	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2ACN+H"	83.060376
"1526359"	382.127608	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+IsoProp+Na+H"	84.054008
"993656"	191.070626	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+2ACN+2H"	84.067652
"1591440"	383.042228	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+K+HCOOH"	84.968628
"1415281"	413.073738	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+H+CF3COOH"	115.000138
"1149584"	211.583901	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+3ACN+2H"	125.094202
"1701323"	430.100285	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+NH4+CF3COOH"	132.026685
"1646818"	435.05568	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+Na+CF3COOH"	136.98208
"1581375"	451.02962	"C19787"	"5-S-Methyl-5-thioinosine;5-Deoxy-5-methylthioinosine;S-Methyl-5-thioinosine"	"C11H14N4O4S"	"298.0736"	"M+K+CF3COOH"	152.95602
"813932"	182.0328	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M"	0
"978718"	163.01441	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-H2O-H"	-19.01839
"69146"	120.347924	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M-3H"	-3.021828
"509800"	181.025524	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M-3H"	-3.021828
"893068"	59.670324	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-3H"	-3.021828
"7269"	181.025524	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M-2H"	-2.014552
"451205"	272.041924	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M-2H"	-2.014552
"830466"	90.009124	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-2H"	-2.014552
"87906"	363.058324	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M-H"	-1.007276
"530746"	545.091124	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M-H"	-1.007276
"901985"	181.025524	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-H"	-1.007276
"51986"	380.084871	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M-2H+NH4"	16.019271
"495923"	562.117671	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M-2H+NH4"	16.019271
"870445"	198.052071	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-2H+NH4"	16.019271
"38345"	385.040266	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M-2H+Na"	20.974666
"485559"	567.073066	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M-2H+Na"	20.974666
"863569"	203.007466	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-2H+Na"	20.974666
"1629617"	203.007466	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Na-2H"	20.974666
"105782"	199.013863	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M-H+Cl"	33.962126
"544623"	290.030263	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M-H+Cl"	33.962126
"931578"	107.997463	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-H+Cl"	33.962126
"276694"	399.035002	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+Cl"	34.969402
"664741"	581.067802	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+Cl"	34.969402
"1276053"	217.002202	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Cl"	34.969402
"18972"	401.014206	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M-2H+K"	36.948606
"463635"	583.047006	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M-2H+K"	36.948606
"841439"	218.981406	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-2H+K"	36.948606
"1567842"	218.981406	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+K-2H"	36.948606
"947344"	227.030994	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-H+HCOOH"	44.998194
"369930"	409.063801	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+HCOOH-H"	44.998201
"351629"	423.079451	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+Hac-H"	59.013851
"1496091"	241.046651	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Hac-H"	59.013851
"961441"	249.012951	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-H+NaCOOH"	66.980151
"119099"	217.002202	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+2Cl"	69.938804
"560847"	308.018602	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+2Cl"	69.938804
"1036698"	125.985802	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2Cl"	69.938804
"1254693"	260.951685	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Br"	78.918885
"1318237"	263.007672	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Cl+HCOOH"	80.974872
"1335127"	284.989629	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Cl+NaCOOH"	102.956829
"926433"	295.018386	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M-H+CF3COOH"	112.985586
"1301315"	330.995064	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Cl+CF3COOH"	148.962264
"1381907"	147.020124	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H-2H2O"	-35.012676
"1397704"	165.0301	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H-H2O"	-17.0027
"297757"	365.072876	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+H"	1.007276
"689809"	547.105676	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+H"	1.007276
"1366527"	183.040076	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H"	1.007276
"139776"	183.040076	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+2H"	2.014552
"580073"	274.056476	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+2H"	2.014552
"1049962"	92.023676	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2H"	2.014552
"218594"	122.362476	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+3H"	3.021828
"656697"	183.040076	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+3H"	3.021828
"1176282"	61.684876	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+3H"	3.021828
"437003"	382.099423	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+NH4"	18.033823
"798726"	564.132223	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+NH4"	18.033823
"1694691"	200.066623	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+NH4"	18.033823
"342242"	191.5533495	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+H+NH4"	19.041099
"735025"	282.5697495	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+H+NH4"	19.041099
"1490305"	100.5369495	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H+NH4"	19.041099
"404608"	387.054818	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+Na"	22.989218
"764875"	569.087618	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+Na"	22.989218
"1614067"	205.022018	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Na"	22.989218
"328478"	194.031047	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+H+Na"	23.996494
"713246"	285.047447	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+H+Na"	23.996494
"1469251"	103.014647	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H+Na"	23.996494
"1059216"	69.01219	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2H+Na"	25.00377
"1265267"	215.066286	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+CH3OH+H"	33.033486
"383842"	403.028758	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+K"	38.963158
"744840"	585.061558	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+K"	38.963158
"1546895"	220.995958	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+K"	38.963158
"308446"	202.018017	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+H+K"	39.970434
"697588"	293.034417	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+H+K"	39.970434
"1454689"	111.001617	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H+K"	39.970434
"245478"	406.099426	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+ACN+H"	42.033826
"1222927"	224.066626	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+ACN+H"	42.033826
"1209365"	112.536951	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+ACN+2H"	43.041102
"200046"	409.03676	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+2Na-H"	44.97116
"641066"	591.06956	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+2Na-H"	44.97116
"1141287"	227.00396	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2Na-H"	44.97116
"182390"	205.022018	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+2Na"	45.978436
"619405"	296.038418	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+2Na"	45.978436
"1122186"	114.005618	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2Na"	45.978436
"1413000"	76.339504	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H+2Na"	46.985712
"1443295"	229.045546	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H+HCOOH"	47.012746
"235435"	210.05504	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+3H2O+2H"	56.04448
"1523495"	243.09759	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+IsoProp+H"	61.06479
"421836"	213.008988	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+Na+K"	61.952376
"775541"	304.025388	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+Na+K"	61.952376
"1671508"	121.992588	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Na+K"	61.952376
"261310"	428.081368	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+ACN+Na"	64.015768
"1236204"	246.048568	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+ACN+Na"	64.015768
"1721811"	246.072093	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+NH4+HCOOH"	64.039293
"1187167"	83.666818	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+3Na"	68.967654
"1655966"	251.027488	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Na+HCOOH"	68.994688
"165013"	440.98464	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+2K-H"	76.91904
"601657"	623.01744	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+2K-H"	76.91904
"1095648"	258.95184	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2K-H"	76.91904
"148092"	220.995958	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"2M+2K"	77.926316
"587652"	312.012358	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"3M+2K"	77.926316
"1075447"	129.979558	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2K"	77.926316
"1109750"	260.966392	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2K+H"	78.933592
"1345039"	261.054007	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+DMSO+H"	79.021207
"1017941"	265.093176	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2ACN+H"	83.060376
"1531695"	266.086808	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+IsoProp+Na+H"	84.054008
"997047"	133.050226	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+2ACN+2H"	84.067652
"1593738"	267.001428	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+K+HCOOH"	84.968628
"1425958"	297.032938	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+H+CF3COOH"	115.000138
"1149690"	153.563501	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+3ACN+2H"	125.094202
"1702524"	314.059485	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+NH4+CF3COOH"	132.026685
"1643648"	319.01488	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+Na+CF3COOH"	136.98208
"1576017"	334.98882	"C19788"	"5-Nitroanthranilate;2-Amino-5-nitrobenzoate"	"C7H6N2O4"	"182.0328"	"M+K+CF3COOH"	152.95602
"814042"	183.0168	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M"	0
"982109"	163.99841	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-H2O-H"	-19.01839
"74723"	121.003924	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M-3H"	-3.021828
"509910"	182.009524	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M-3H"	-3.021828
"893178"	59.998324	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-3H"	-3.021828
"7379"	182.009524	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M-2H"	-2.014552
"451315"	273.517924	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M-2H"	-2.014552
"830940"	90.501124	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-2H"	-2.014552
"88016"	365.026324	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M-H"	-1.007276
"532802"	548.043124	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M-H"	-1.007276
"903188"	182.009524	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-H"	-1.007276
"53189"	382.052871	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M-2H+NH4"	16.019271
"494940"	565.069671	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M-2H+NH4"	16.019271
"870555"	199.036071	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-2H+NH4"	16.019271
"38455"	387.008266	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M-2H+Na"	20.974666
"486159"	570.025066	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M-2H+Na"	20.974666
"862382"	203.991466	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-2H+Na"	20.974666
"1632158"	203.991466	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Na-2H"	20.974666
"109872"	199.997863	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M-H+Cl"	33.962126
"544733"	291.506263	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M-H+Cl"	33.962126
"931688"	108.489463	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-H+Cl"	33.962126
"276804"	401.003002	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+Cl"	34.969402
"671412"	584.019802	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+Cl"	34.969402
"1276163"	217.986202	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Cl"	34.969402
"17260"	402.982206	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M-2H+K"	36.948606
"457186"	585.999006	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M-2H+K"	36.948606
"836082"	219.965406	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-2H+K"	36.948606
"1568317"	219.965406	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+K-2H"	36.948606
"954014"	228.014994	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-H+HCOOH"	44.998194
"366761"	411.031801	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+HCOOH-H"	44.998201
"351739"	425.047451	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+Hac-H"	59.013851
"1494378"	242.030651	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Hac-H"	59.013851
"959850"	249.996951	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-H+NaCOOH"	66.980151
"117022"	217.986202	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+2Cl"	69.938804
"560957"	309.494602	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+2Cl"	69.938804
"1034132"	126.477802	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2Cl"	69.938804
"1256263"	261.935685	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Br"	78.918885
"1318590"	263.991672	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Cl+HCOOH"	80.974872
"1335120"	285.973629	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Cl+NaCOOH"	102.956829
"925448"	296.002386	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M-H+CF3COOH"	112.985586
"1303612"	331.979064	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Cl+CF3COOH"	148.962264
"1381773"	148.004124	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H-2H2O"	-35.012676
"1394896"	166.0141	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H-H2O"	-17.0027
"297135"	367.040876	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+H"	1.007276
"689919"	550.057676	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+H"	1.007276
"1365908"	184.024076	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H"	1.007276
"140742"	184.024076	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+2H"	2.014552
"578727"	275.532476	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+2H"	2.014552
"1050440"	92.515676	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2H"	2.014552
"216884"	123.018476	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+3H"	3.021828
"656442"	184.024076	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+3H"	3.021828
"1176028"	62.012876	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+3H"	3.021828
"437477"	384.067423	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+NH4"	18.033823
"798108"	567.084223	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+NH4"	18.033823
"1695652"	201.050623	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+NH4"	18.033823
"342717"	192.5373495	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+H+NH4"	19.041099
"733677"	284.0457495	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+H+NH4"	19.041099
"1490050"	101.0289495	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H+NH4"	19.041099
"403988"	389.022818	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+Na"	22.989218
"763893"	572.039618	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+Na"	22.989218
"1613083"	206.006018	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Na"	22.989218
"325307"	195.015047	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+H+Na"	23.996494
"712263"	286.523447	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+H+Na"	23.996494
"1464989"	103.506647	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H+Na"	23.996494
"1056047"	69.34019	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2H+Na"	25.00377
"1263191"	216.050286	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+CH3OH+H"	33.033486
"380673"	404.996758	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+K"	38.963158
"741671"	588.013558	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+K"	38.963158
"1544816"	221.979958	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+K"	38.963158
"303087"	203.002017	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+H+K"	39.970434
"698792"	294.510417	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+H+K"	39.970434
"1452611"	111.493617	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H+K"	39.970434
"242307"	408.067426	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+ACN+H"	42.033826
"1223037"	225.050626	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+ACN+H"	42.033826
"1206191"	113.028951	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+ACN+2H"	43.041102
"201616"	411.00476	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+2Na-H"	44.97116
"640082"	594.02156	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+2Na-H"	44.97116
"1141398"	227.98796	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2Na-H"	44.97116
"183595"	206.006018	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+2Na"	45.978436
"619151"	297.514418	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+2Na"	45.978436
"1122294"	114.497618	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2Na"	45.978436
"1412381"	76.667504	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H+2Na"	46.985712
"1442312"	230.029546	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H+HCOOH"	47.012746
"235613"	211.03904	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+3H2O+2H"	56.04448
"1523242"	244.08159	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+IsoProp+H"	61.06479
"422676"	213.992988	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+Na+K"	61.952376
"776380"	305.501388	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+Na+K"	61.952376
"1672711"	122.484588	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Na+K"	61.952376
"261422"	430.049368	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+ACN+Na"	64.015768
"1237409"	247.032568	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+ACN+Na"	64.015768
"1718641"	247.056093	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+NH4+HCOOH"	64.039293
"1185091"	83.994818	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+3Na"	68.967654
"1653890"	252.011488	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Na+HCOOH"	68.994688
"162938"	442.95264	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+2K-H"	76.91904
"600675"	625.96944	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+2K-H"	76.91904
"1092479"	259.93584	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2K-H"	76.91904
"148202"	221.979958	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"2M+2K"	77.926316
"587762"	313.488358	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"3M+2K"	77.926316
"1074463"	130.471558	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2K"	77.926316
"1111683"	261.950392	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2K+H"	78.933592
"1347334"	262.038007	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+DMSO+H"	79.021207
"1016959"	266.077176	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2ACN+H"	83.060376
"1531804"	267.070808	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+IsoProp+Na+H"	84.054008
"997156"	133.542226	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+2ACN+2H"	84.067652
"1593848"	267.985428	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+K+HCOOH"	84.968628
"1423881"	298.016938	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+H+CF3COOH"	115.000138
"1149801"	154.055501	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+3ACN+2H"	125.094202
"1703727"	315.043485	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+NH4+CF3COOH"	132.026685
"1643758"	319.99888	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+Na+CF3COOH"	136.98208
"1575034"	335.97282	"C19789"	"5-Nitrosalicylate;2-Hydroxy-5-nitrobenzoate"	"C7H5NO5"	"183.0168"	"M+K+CF3COOH"	152.95602
"816339"	348.0458	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M"	0
"985499"	329.02741	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-H2O-H"	-19.01839
"68276"	231.023257333333	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M-3H"	-3.021828
"512210"	347.038524	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M-3H"	-3.021828
"891104"	115.007990666667	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-3H"	-3.021828
"11865"	347.038524	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M-2H"	-2.014552
"451426"	521.061424	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M-2H"	-2.014552
"823759"	173.015624	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-2H"	-2.014552
"91286"	695.084324	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M-H"	-1.007276
"531942"	1043.130124	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M-H"	-1.007276
"909256"	347.038524	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-H"	-1.007276
"58772"	712.110871	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M-2H+NH4"	16.019271
"500641"	1060.156671	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M-2H+NH4"	16.019271
"873946"	364.065071	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-2H+NH4"	16.019271
"41848"	717.066266	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M-2H+Na"	20.974666
"482502"	1065.112066	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M-2H+Na"	20.974666
"853745"	369.020466	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-2H+Na"	20.974666
"1623277"	369.020466	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Na-2H"	20.974666
"100909"	365.026863	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M-H+Cl"	33.962126
"536095"	539.049763	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M-H+Cl"	33.962126
"935078"	191.003963	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-H+Cl"	33.962126
"276915"	731.061002	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+Cl"	34.969402
"662776"	1079.106802	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+Cl"	34.969402
"1275179"	383.015202	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Cl"	34.969402
"22110"	733.040206	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M-2H+K"	36.948606
"467138"	1081.086006	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M-2H+K"	36.948606
"841659"	384.994406	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-2H+K"	36.948606
"1569523"	384.994406	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+K-2H"	36.948606
"946470"	393.043994	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-H+HCOOH"	44.998194
"364682"	741.089801	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+HCOOH-H"	44.998201
"348570"	755.105451	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+Hac-H"	59.013851
"1495581"	407.059651	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Hac-H"	59.013851
"958906"	415.025951	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-H+NaCOOH"	66.980151
"112029"	383.015202	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+2Cl"	69.938804
"557787"	557.038102	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+2Cl"	69.938804
"1034241"	208.992302	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2Cl"	69.938804
"1251634"	426.964685	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Br"	78.918885
"1317364"	429.020672	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Cl+HCOOH"	80.974872
"1334378"	451.002629	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Cl+NaCOOH"	102.956829
"923730"	461.031386	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M-H+CF3COOH"	112.985586
"1303844"	497.008064	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Cl+CF3COOH"	148.962264
"1380790"	313.033124	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H-2H2O"	-35.012676
"1395005"	331.0431	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H-H2O"	-17.0027
"296879"	697.098876	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+H"	1.007276
"690029"	1045.144676	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+H"	1.007276
"1362370"	349.053076	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H"	1.007276
"134167"	349.053076	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+2H"	2.014552
"578101"	523.075976	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+2H"	2.014552
"1050059"	175.030176	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2H"	2.014552
"210064"	233.037809333333	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+3H"	3.021828
"653272"	349.053076	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+3H"	3.021828
"1169210"	117.022542666667	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+3H"	3.021828
"432482"	714.125423	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+NH4"	18.033823
"795665"	1062.171223	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+NH4"	18.033823
"1691994"	366.079623	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+NH4"	18.033823
"342827"	357.5663495	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+H+NH4"	19.041099
"734882"	531.5892495	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+H+NH4"	19.041099
"1488699"	183.5434495	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H+NH4"	19.041099
"400820"	719.080818	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+Na"	22.989218
"762907"	1067.126618	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+Na"	22.989218
"1609911"	371.035018	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Na"	22.989218
"319949"	360.044047	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+H+Na"	23.996494
"714559"	534.066947	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+H+Na"	23.996494
"1466192"	186.021147	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H+Na"	23.996494
"1056158"	124.349856666667	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2H+Na"	25.00377
"1261119"	381.079286	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+CH3OH+H"	33.033486
"384069"	735.054758	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+K"	38.963158
"749438"	1083.100558	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+K"	38.963158
"1551490"	387.008958	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+K"	38.963158
"306480"	368.031017	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+H+K"	39.970434
"699994"	542.053917	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+H+K"	39.970434
"1460136"	194.008117	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H+K"	39.970434
"249710"	738.125426	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+ACN+H"	42.033826
"1223877"	390.079626	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+ACN+H"	42.033826
"1205207"	195.543451	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+ACN+2H"	43.041102
"198442"	741.06276	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+2Na-H"	44.97116
"635814"	1089.10856	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+2Na-H"	44.97116
"1139321"	393.01696	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2Na-H"	44.97116
"187487"	371.035018	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+2Na"	45.978436
"627906"	545.057918	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+2Na"	45.978436
"1130068"	197.012118	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2Na"	45.978436
"1411414"	131.677170666667	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H+2Na"	46.985712
"1443532"	395.058546	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H+HCOOH"	47.012746
"232862"	376.06804	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+3H2O+2H"	56.04448
"1521644"	409.11059	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+IsoProp+H"	61.06479
"417684"	379.021988	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+Na+K"	61.952376
"780868"	553.044888	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+Na+K"	61.952376
"1679025"	204.999088	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Na+K"	61.952376
"262627"	760.107368	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+ACN+Na"	64.015768
"1233149"	412.061568	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+ACN+Na"	64.015768
"1720938"	412.085093	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+NH4+HCOOH"	64.039293
"1185931"	139.004484666667	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+3Na"	68.967654
"1656549"	417.040488	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Na+HCOOH"	68.994688
"161588"	773.01064	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+2K-H"	76.91904
"599693"	1121.05644	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+2K-H"	76.91904
"1087120"	424.96484	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2K-H"	76.91904
"143939"	387.008958	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"2M+2K"	77.926316
"588969"	561.031858	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"3M+2K"	77.926316
"1077489"	212.986058	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2K"	77.926316
"1108876"	426.979392	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2K+H"	78.933592
"1343072"	427.067007	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+DMSO+H"	79.021207
"1012695"	431.106176	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2ACN+H"	83.060376
"1527539"	432.099808	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+IsoProp+Na+H"	84.054008
"993986"	216.056726	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+2ACN+2H"	84.067652
"1587516"	433.014428	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+K+HCOOH"	84.968628
"1416338"	463.045938	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+H+CF3COOH"	115.000138
"1149907"	236.570001	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+3ACN+2H"	125.094202
"1707123"	480.072485	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+NH4+CF3COOH"	132.026685
"1637305"	485.02788	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+Na+CF3COOH"	136.98208
"1575143"	501.00182	"C19791"	"2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate;(2R)-2-(alpha-D-Glucopyranosyloxy)-3-(phosphonooxy)propanoate"	"C9H17O12P"	"348.0458"	"M+K+CF3COOH"	152.95602
"813168"	268.0794	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M"	0
"985609"	249.06101	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-H2O-H"	-19.01839
"66199"	177.712324	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M-3H"	-3.021828
"510133"	267.072124	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M-3H"	-3.021828
"892308"	88.352524	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-3H"	-3.021828
"13068"	267.072124	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M-2H"	-2.014552
"449349"	401.111824	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M-2H"	-2.014552
"823869"	133.032424	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-2H"	-2.014552
"88237"	535.151524	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M-H"	-1.007276
"531929"	803.230924	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M-H"	-1.007276
"903412"	267.072124	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-H"	-1.007276
"55601"	552.178071	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M-2H+NH4"	16.019271
"496254"	820.257471	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M-2H+NH4"	16.019271
"874056"	284.098671	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-2H+NH4"	16.019271
"35761"	557.133466	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M-2H+Na"	20.974666
"481518"	825.212866	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M-2H+Na"	20.974666
"853855"	289.054066	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-2H+Na"	20.974666
"1624481"	289.054066	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Na-2H"	20.974666
"101020"	285.060463	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M-H+Cl"	33.962126
"535109"	419.100163	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M-H+Cl"	33.962126
"933001"	151.020763	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-H+Cl"	33.962126
"275932"	571.128202	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+Cl"	34.969402
"662886"	839.207602	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+Cl"	34.969402
"1276384"	303.048802	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Cl"	34.969402
"21126"	573.107406	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M-2H+K"	36.948606
"461780"	841.186806	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M-2H+K"	36.948606
"841769"	305.028006	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-2H+K"	36.948606
"1569267"	305.028006	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+K-2H"	36.948606
"946580"	313.077594	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-H+HCOOH"	44.998194
"363698"	581.157001	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+HCOOH-H"	44.998201
"349410"	595.172651	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+Hac-H"	59.013851
"1494961"	327.093251	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Hac-H"	59.013851
"959706"	335.059551	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-H+NaCOOH"	66.980151
"112139"	303.048802	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+2Cl"	69.938804
"553521"	437.088502	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+2Cl"	69.938804
"1027790"	169.009102	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2Cl"	69.938804
"1249557"	346.998285	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Br"	78.918885
"1315286"	349.054272	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Cl+HCOOH"	80.974872
"1334124"	371.036229	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Cl+NaCOOH"	102.956829
"925666"	381.064986	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M-H+CF3COOH"	112.985586
"1302372"	417.041664	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Cl+CF3COOH"	148.962264
"1381629"	233.066724	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H-2H2O"	-35.012676
"1392929"	251.0767	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H-H2O"	-17.0027
"295896"	537.166076	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+H"	1.007276
"688317"	805.245476	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+H"	1.007276
"1361387"	269.086676	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H"	1.007276
"134276"	269.086676	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+2H"	2.014552
"576024"	403.126376	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+2H"	2.014552
"1048103"	135.046976	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2H"	2.014552
"212725"	179.726876	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+3H"	3.021828
"651195"	269.086676	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+3H"	3.021828
"1172601"	90.367076	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+3H"	3.021828
"435873"	554.192623	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+NH4"	18.033823
"795775"	822.272023	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+NH4"	18.033823
"1692107"	286.113223	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+NH4"	18.033823
"343665"	277.5999495	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+H+NH4"	19.041099
"736085"	411.6396495	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+H+NH4"	19.041099
"1488810"	143.5602495	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H+NH4"	19.041099
"402021"	559.148018	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+Na"	22.989218
"761923"	827.227418	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+Na"	22.989218
"1610021"	291.068618	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Na"	22.989218
"321154"	280.077647	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+H+Na"	23.996494
"713576"	414.117347	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+H+Na"	23.996494
"1468489"	146.037947	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H+Na"	23.996494
"1057361"	97.69439	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2H+Na"	25.00377
"1262323"	301.112886	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+CH3OH+H"	33.033486
"387459"	575.121958	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+K"	38.963158
"746268"	843.201358	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+K"	38.963158
"1551600"	307.042558	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+K"	38.963158
"306590"	288.064617	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+H+K"	39.970434
"697918"	422.104317	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+H+K"	39.970434
"1459760"	154.024917	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H+K"	39.970434
"249092"	578.192626	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+ACN+H"	42.033826
"1221800"	310.113226	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+ACN+H"	42.033826
"1206047"	155.560251	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+ACN+2H"	43.041102
"197460"	581.12996	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+2Na-H"	44.97116
"639935"	849.20936	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+2Na-H"	44.97116
"1142346"	313.05056	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2Na-H"	44.97116
"187598"	291.068618	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+2Na"	45.978436
"627648"	425.108318	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+2Na"	45.978436
"1130300"	157.028918	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2Na"	45.978436
"1412495"	105.021704	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H+2Na"	46.985712
"1443638"	315.092146	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H+HCOOH"	47.012746
"234913"	296.10164	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+3H2O+2H"	56.04448
"1518108"	329.14419	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+IsoProp+H"	61.06479
"419981"	299.055588	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+Na+K"	61.952376
"779885"	433.095288	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+Na+K"	61.952376
"1675118"	165.015888	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Na+K"	61.952376
"263829"	600.174568	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+ACN+Na"	64.015768
"1236538"	332.095168	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+ACN+Na"	64.015768
"1718863"	332.118693	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+NH4+HCOOH"	64.039293
"1185310"	112.349018	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+3Na"	68.967654
"1655930"	337.074088	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Na+HCOOH"	68.994688
"160973"	613.07784	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+2K-H"	76.91904
"598711"	881.15724	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+2K-H"	76.91904
"1085411"	344.99844	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2K-H"	76.91904
"145142"	307.042558	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"2M+2K"	77.926316
"586892"	441.082258	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"3M+2K"	77.926316
"1077599"	173.002858	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2K"	77.926316
"1105705"	347.012992	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2K+H"	78.933592
"1342090"	347.100607	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+DMSO+H"	79.021207
"1011711"	351.139776	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2ACN+H"	83.060376
"1527649"	352.133408	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+IsoProp+Na+H"	84.054008
"994096"	176.073526	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+2ACN+2H"	84.067652
"1587181"	353.048028	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+K+HCOOH"	84.968628
"1417543"	383.079538	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+H+CF3COOH"	115.000138
"1150019"	196.586801	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+3ACN+2H"	125.094202
"1705046"	400.106085	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+NH4+CF3COOH"	132.026685
"1638508"	405.06148	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+Na+CF3COOH"	136.98208
"1573066"	421.03542	"C19792"	"2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate"	"C9H16O9"	"268.0794"	"M+K+CF3COOH"	152.95602
"814371"	510.0986	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M"	0
"985719"	491.08021	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-H2O-H"	-19.01839
"72869"	339.058457333333	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M-3H"	-3.021828
"510243"	509.091324	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M-3H"	-3.021828
"890231"	169.025590666667	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-3H"	-3.021828
"13178"	509.091324	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M-2H"	-2.014552
"448366"	764.140624	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M-2H"	-2.014552
"825072"	254.042024	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-2H"	-2.014552
"88347"	1019.189924	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M-H"	-1.007276
"523533"	1529.288524	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M-H"	-1.007276
"902427"	509.091324	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-H"	-1.007276
"52795"	1036.216471	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M-2H+NH4"	16.019271
"493083"	1546.315071	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M-2H+NH4"	16.019271
"865781"	526.117871	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-2H+NH4"	16.019271
"42067"	1041.171866	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M-2H+Na"	20.974666
"484908"	1551.270466	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M-2H+Na"	20.974666
"855058"	531.073266	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-2H+Na"	20.974666
"1624591"	531.073266	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Na-2H"	20.974666
"101130"	527.079663	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M-H+Cl"	33.962126
"542875"	782.128963	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M-H+Cl"	33.962126
"930922"	272.030363	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-H+Cl"	33.962126
"269481"	1055.166602	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+Cl"	34.969402
"662023"	1565.265202	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+Cl"	34.969402
"1277587"	545.068002	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Cl"	34.969402
"17955"	1057.145806	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M-2H+K"	36.948606
"461890"	1567.244406	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M-2H+K"	36.948606
"841879"	547.047206	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-2H+K"	36.948606
"1569377"	547.047206	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+K-2H"	36.948606
"946689"	555.096794	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-H+HCOOH"	44.998194
"367087"	1065.195401	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+HCOOH-H"	44.998201
"349884"	1079.211051	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+Hac-H"	59.013851
"1496893"	569.112451	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Hac-H"	59.013851
"960787"	577.078751	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-H+NaCOOH"	66.980151
"114071"	545.068002	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+2Cl"	69.938804
"555818"	800.117302	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+2Cl"	69.938804
"1033366"	290.018702	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2Cl"	69.938804
"1247480"	589.017485	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Br"	78.918885
"1315396"	591.073472	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Cl+HCOOH"	80.974872
"1333623"	613.055429	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Cl+NaCOOH"	102.956829
"920671"	623.084186	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M-H+CF3COOH"	112.985586
"1300659"	659.060864	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Cl+CF3COOH"	148.962264
"1379915"	475.085924	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H-2H2O"	-35.012676
"1394132"	493.0959	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H-H2O"	-17.0027
"293818"	1021.204476	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+H"	1.007276
"688062"	1531.303076	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+H"	1.007276
"1360403"	511.105876	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H"	1.007276
"132199"	511.105876	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+2H"	2.014552
"576134"	766.155176	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+2H"	2.014552
"1049306"	256.056576	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2H"	2.014552
"212105"	341.073009333333	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+3H"	3.021828
"652398"	511.105876	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+3H"	3.021828
"1172711"	171.040142666667	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+3H"	3.021828
"434890"	1038.231023	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+NH4"	18.033823
"799164"	1548.329623	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+NH4"	18.033823
"1695495"	528.132423	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+NH4"	18.033823
"343770"	519.6191495	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+H+NH4"	19.041099
"736195"	774.6684495	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+H+NH4"	19.041099
"1487826"	264.5698495	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H+NH4"	19.041099
"401038"	1043.186418	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+Na"	22.989218
"760940"	1553.285018	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+Na"	22.989218
"1609038"	533.087818	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Na"	22.989218
"320171"	522.096847	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+H+Na"	23.996494
"712593"	777.146147	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+H+Na"	23.996494
"1467506"	267.047547	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H+Na"	23.996494
"1057471"	178.367456666667	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2H+Na"	25.00377
"1264619"	543.132086	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+CH3OH+H"	33.033486
"387569"	1059.160358	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+K"	38.963158
"747471"	1569.258958	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+K"	38.963158
"1548430"	549.061758	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+K"	38.963158
"307793"	530.083817	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+H+K"	39.970434
"698028"	785.133117	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+H+K"	39.970434
"1458411"	275.034517	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H+K"	39.970434
"248472"	1062.231026	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+ACN+H"	42.033826
"1222274"	552.132426	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+ACN+H"	42.033826
"1206521"	276.569851	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+ACN+2H"	43.041102
"195382"	1065.16836	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+2Na-H"	44.97116
"639316"	1575.26696	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+2Na-H"	44.97116
"1138813"	555.06976	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2Na-H"	44.97116
"178097"	533.087818	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+2Na"	45.978436
"627517"	788.137118	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+2Na"	45.978436
"1129434"	278.038518	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2Na"	45.978436
"1413090"	185.694770666667	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H+2Na"	46.985712
"1444111"	557.111346	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H+HCOOH"	47.012746
"233082"	538.12084	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+3H2O+2H"	56.04448
"1519311"	571.16339	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+IsoProp+H"	61.06479
"422278"	541.074788	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+Na+K"	61.952376
"781088"	796.124088	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+Na+K"	61.952376
"1674135"	286.025488	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Na+K"	61.952376
"263575"	1084.212968	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+ACN+Na"	64.015768
"1237740"	574.114368	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+ACN+Na"	64.015768
"1721160"	574.137893	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+NH4+HCOOH"	64.039293
"1186513"	193.022084666667	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+3Na"	68.967654
"1657497"	579.093288	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Na+HCOOH"	68.994688
"159990"	1097.11624	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+2K-H"	76.91904
"600644"	1607.21484	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+2K-H"	76.91904
"1087343"	587.01764	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2K-H"	76.91904
"146345"	549.061758	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"2M+2K"	77.926316
"583722"	804.111058	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"3M+2K"	77.926316
"1073699"	294.012458	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2K"	77.926316
"1105815"	589.032192	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2K+H"	78.933592
"1345478"	589.119807	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+DMSO+H"	79.021207
"1012913"	593.158976	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2ACN+H"	83.060376
"1527759"	594.152608	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+IsoProp+Na+H"	84.054008
"992019"	297.083126	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+2ACN+2H"	84.067652
"1588830"	595.067228	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+K+HCOOH"	84.968628
"1418746"	625.098738	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+H+CF3COOH"	115.000138
"1149400"	317.596401	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+3ACN+2H"	125.094202
"1706249"	642.125285	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+NH4+CF3COOH"	132.026685
"1638618"	647.08068	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+Na+CF3COOH"	136.98208
"1573176"	663.05462	"C19793"	"2-O-2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl-3-phospho-D-glycerate"	"C15H27O17P"	"510.0986"	"M+K+CF3COOH"	152.95602
"813388"	565.071	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M"	0
"985829"	546.05261	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-H2O-H"	-19.01839
"70793"	375.706724	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M-3H"	-3.021828
"510353"	564.063724	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M-3H"	-3.021828
"893621"	187.349724	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-3H"	-3.021828
"12195"	564.063724	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M-2H"	-2.014552
"449569"	846.599224	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M-2H"	-2.014552
"824089"	281.528224	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-2H"	-2.014552
"88457"	1129.134724	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M-H"	-1.007276
"522550"	1694.205724	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M-H"	-1.007276
"901444"	564.063724	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-H"	-1.007276
"52905"	1146.161271	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M-2H+NH4"	16.019271
"493193"	1711.232271	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M-2H+NH4"	16.019271
"866741"	581.090271	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-2H+NH4"	16.019271
"38897"	1151.116666	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M-2H+Na"	20.974666
"485018"	1716.187666	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M-2H+Na"	20.974666
"854074"	586.045666	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-2H+Na"	20.974666
"1625794"	586.045666	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Na-2H"	20.974666
"100146"	582.052063	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M-H+Cl"	33.962126
"542985"	864.587563	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M-H+Cl"	33.962126
"932126"	299.516563	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-H+Cl"	33.962126
"272871"	1165.111402	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+Cl"	34.969402
"661039"	1730.182402	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+Cl"	34.969402
"1275871"	600.040402	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Cl"	34.969402
"21348"	1167.090606	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M-2H+K"	36.948606
"467470"	1732.161606	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M-2H+K"	36.948606
"841991"	602.019606	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-2H+K"	36.948606
"1567665"	602.019606	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+K-2H"	36.948606
"947892"	610.069194	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-H+HCOOH"	44.998194
"363919"	1175.140201	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+HCOOH-H"	44.998201
"348170"	1189.155851	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+Hac-H"	59.013851
"1494205"	624.084851	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Hac-H"	59.013851
"963451"	632.051151	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-H+NaCOOH"	66.980151
"112358"	600.040402	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+2Cl"	69.938804
"554834"	882.575902	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+2Cl"	69.938804
"1030196"	317.504902	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2Cl"	69.938804
"1250870"	643.989885	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Br"	78.918885
"1312226"	646.045872	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Cl+HCOOH"	80.974872
"1326444"	668.027829	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Cl+NaCOOH"	102.956829
"917501"	678.056586	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M-H+CF3COOH"	112.985586
"1301862"	714.033264	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Cl+CF3COOH"	148.962264
"1379661"	530.058324	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H-2H2O"	-35.012676
"1388775"	548.0683	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H-H2O"	-17.0027
"295021"	1131.149276	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+H"	1.007276
"686349"	1696.220276	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+H"	1.007276
"1359420"	566.078276	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H"	1.007276
"129393"	566.078276	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+2H"	2.014552
"572964"	848.613776	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+2H"	2.014552
"1039211"	283.542776	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2H"	2.014552
"208205"	377.721276	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+3H"	3.021828
"646309"	566.078276	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+3H"	3.021828
"1169537"	189.364276	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+3H"	3.021828
"429165"	1148.175823	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+NH4"	18.033823
"794900"	1713.246823	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+NH4"	18.033823
"1691230"	583.104823	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+NH4"	18.033823
"339507"	574.5915495	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+H+NH4"	19.041099
"731930"	857.1270495	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+H+NH4"	19.041099
"1481376"	292.0560495	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H+NH4"	19.041099
"395680"	1153.131218	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+Na"	22.989218
"755945"	1718.202218	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+Na"	22.989218
"1606959"	588.060218	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Na"	22.989218
"317001"	577.069247	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+H+Na"	23.996494
"708450"	859.604747	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+H+Na"	23.996494
"1462994"	294.533747	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H+Na"	23.996494
"1054296"	196.69159	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2H+Na"	25.00377
"1259625"	598.104486	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+CH3OH+H"	33.033486
"379169"	1169.105158	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+K"	38.963158
"741019"	1734.176158	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+K"	38.963158
"1543073"	604.034158	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+K"	38.963158
"299882"	585.056217	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+H+K"	39.970434
"695951"	867.591717	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+H+K"	39.970434
"1453054"	302.520717	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H+K"	39.970434
"240562"	1172.175826	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+ACN+H"	42.033826
"1217644"	607.104826	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+ACN+H"	42.033826
"1202621"	304.056051	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+ACN+2H"	43.041102
"192212"	1175.11316	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+2Na-H"	44.97116
"636147"	1740.18416	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+2Na-H"	44.97116
"1135278"	610.04216	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2Na-H"	44.97116
"174442"	588.060218	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+2Na"	45.978436
"620324"	870.595718	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+2Na"	45.978436
"1127111"	305.524718	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2Na"	45.978436
"1413317"	204.018904	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H+2Na"	46.985712
"1444827"	612.083746	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H+HCOOH"	47.012746
"235136"	593.09324	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+3H2O+2H"	56.04448
"1521607"	626.13579	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+H"	61.06479
"419106"	596.047188	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+Na+K"	61.952376
"779009"	878.582688	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+Na+K"	61.952376
"1672422"	313.511688	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Na+K"	61.952376
"264778"	1194.157768	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+ACN+Na"	64.015768
"1234570"	629.086768	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+ACN+Na"	64.015768
"1719084"	629.110293	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+NH4+HCOOH"	64.039293
"1183343"	211.346218	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+3Na"	68.967654
"1654692"	634.065688	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Na+HCOOH"	68.994688
"159007"	1207.06104	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+2K-H"	76.91904
"600754"	1772.13204	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+2K-H"	76.91904
"1086359"	641.99004	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2K-H"	76.91904
"142566"	604.034158	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"2M+2K"	77.926316
"584924"	886.569658	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"3M+2K"	77.926316
"1073810"	321.498658	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2K"	77.926316
"1104832"	644.004592	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2K+H"	78.933592
"1344495"	644.092207	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+DMSO+H"	79.021207
"1014117"	648.131376	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2ACN+H"	83.060376
"1525683"	649.125008	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+IsoProp+Na+H"	84.054008
"992129"	324.569326	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+2ACN+2H"	84.067652
"1587968"	650.039628	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+K+HCOOH"	84.968628
"1417763"	680.071138	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+H+CF3COOH"	115.000138
"1148053"	345.082601	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+3ACN+2H"	125.094202
"1706359"	697.097685	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+NH4+CF3COOH"	132.026685
"1637635"	702.05308	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+Na+CF3COOH"	136.98208
"1573286"	718.02702	"C19794"	"CDP-1L-myo-inositol"	"C15H25N3O16P2"	"565.071"	"M+K+CF3COOH"	152.95602
"814591"	554.4488	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M"	0
"980471"	535.43041	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-H2O-H"	-19.01839
"75276"	368.625257333333	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M-3H"	-3.021828
"512649"	553.441524	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M-3H"	-3.021828
"893731"	183.808990666667	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-3H"	-3.021828
"11212"	553.441524	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M-2H"	-2.014552
"448586"	830.665924	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M-2H"	-2.014552
"825292"	276.217124	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-2H"	-2.014552
"88567"	1107.890324	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M-H"	-1.007276
"524846"	1662.339124	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M-H"	-1.007276
"901554"	553.441524	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-H"	-1.007276
"55931"	1124.916871	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M-2H+NH4"	16.019271
"496583"	1679.365671	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M-2H+NH4"	16.019271
"868918"	570.468071	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-2H+NH4"	16.019271
"42287"	1129.872266	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M-2H+Na"	20.974666
"485128"	1684.321066	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M-2H+Na"	20.974666
"854185"	575.423466	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-2H+Na"	20.974666
"1624811"	575.423466	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Na-2H"	20.974666
"105724"	571.429863	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M-H+Cl"	33.962126
"546374"	848.654263	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M-H+Cl"	33.962126
"939889"	294.205463	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-H+Cl"	33.962126
"279541"	1143.867002	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+Cl"	34.969402
"666496"	1698.315802	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+Cl"	34.969402
"1277074"	589.418202	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Cl"	34.969402
"26925"	1145.846206	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M-2H+K"	36.948606
"468310"	1700.295006	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M-2H+K"	36.948606
"844288"	591.397406	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-2H+K"	36.948606
"1568868"	591.397406	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+K-2H"	36.948606
"946909"	599.446994	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-H+HCOOH"	44.998194
"366215"	1153.895801	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+HCOOH-H"	44.998201
"349374"	1167.911451	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+Hac-H"	59.013851
"1495290"	613.462651	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Hac-H"	59.013851
"967572"	621.428951	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-H+NaCOOH"	66.980151
"119762"	589.418202	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+2Cl"	69.938804
"554950"	866.642602	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+2Cl"	69.938804
"1029216"	312.193802	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2Cl"	69.938804
"1246605"	633.367685	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Br"	78.918885
"1317801"	635.423672	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Cl+HCOOH"	80.974872
"1328739"	657.405629	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Cl+NaCOOH"	102.956829
"919800"	667.434386	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M-H+CF3COOH"	112.985586
"1297600"	703.411064	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Cl+CF3COOH"	148.962264
"1381229"	519.436124	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H-2H2O"	-35.012676
"1395446"	537.4461	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H-H2O"	-17.0027
"294038"	1109.904876	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+H"	1.007276
"689376"	1664.353676	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+H"	1.007276
"1361719"	555.456076	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H"	1.007276
"135700"	555.456076	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+2H"	2.014552
"580002"	832.680476	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+2H"	2.014552
"1048434"	278.231676	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2H"	2.014552
"215242"	370.639809333333	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+3H"	3.021828
"647878"	555.456076	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+3H"	3.021828
"1169650"	185.823542666667	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+3H"	3.021828
"430735"	1126.931423	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+NH4"	18.033823
"799383"	1681.380223	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+NH4"	18.033823
"1694619"	572.482623	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+NH4"	18.033823
"341804"	563.9693495	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+H+NH4"	19.041099
"734226"	841.1937495	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+H+NH4"	19.041099
"1485861"	286.7449495	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H+NH4"	19.041099
"395789"	1131.886818	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+Na"	22.989218
"757878"	1686.335618	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+Na"	22.989218
"1607070"	577.438018	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Na"	22.989218
"319297"	566.447047	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+H+Na"	23.996494
"710626"	843.671447	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+H+Na"	23.996494
"1465538"	289.222647	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H+Na"	23.996494
"1054409"	193.150856666667	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2H+Na"	25.00377
"1259005"	587.482286	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+CH3OH+H"	33.033486
"379404"	1147.860758	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+K"	38.963158
"743317"	1702.309558	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+K"	38.963158
"1544275"	593.411958	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+K"	38.963158
"302546"	574.434017	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+H+K"	39.970434
"698247"	851.658417	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+H+K"	39.970434
"1455350"	297.209617	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H+K"	39.970434
"241766"	1150.931426	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+ACN+H"	42.033826
"1218849"	596.482626	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+ACN+H"	42.033826
"1204556"	298.744951	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+ACN+2H"	43.041102
"194509"	1153.86876	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+2Na-H"	44.97116
"637352"	1708.31756	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+2Na-H"	44.97116
"1140856"	599.41996	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2Na-H"	44.97116
"176496"	577.438018	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+2Na"	45.978436
"620798"	854.662418	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+2Na"	45.978436
"1121023"	300.213618	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2Na"	45.978436
"1413962"	200.478170666667	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H+2Na"	46.985712
"1445337"	601.461546	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H+HCOOH"	47.012746
"235556"	582.47104	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+3H2O+2H"	56.04448
"1524140"	615.51359	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+IsoProp+H"	61.06479
"424230"	585.424988	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+Na+K"	61.952376
"781306"	862.649388	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+Na+K"	61.952376
"1678733"	308.200588	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Na+K"	61.952376
"264157"	1172.913368	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+ACN+Na"	64.015768
"1234680"	618.464568	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+ACN+Na"	64.015768
"1717006"	618.488093	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+NH4+HCOOH"	64.039293
"1182724"	207.805484666667	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+3Na"	68.967654
"1656623"	623.443488	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Na+HCOOH"	68.994688
"161664"	1185.81664	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+2K-H"	76.91904
"598189"	1740.26544	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+2K-H"	76.91904
"1085859"	631.36784	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2K-H"	76.91904
"145469"	593.411958	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"2M+2K"	77.926316
"587217"	870.636358	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"3M+2K"	77.926316
"1072823"	316.187558	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2K"	77.926316
"1106036"	633.382392	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2K+H"	78.933592
"1344604"	633.470007	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+DMSO+H"	79.021207
"1014226"	637.509176	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2ACN+H"	83.060376
"1526885"	638.502808	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+IsoProp+Na+H"	84.054008
"992239"	319.258226	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+2ACN+2H"	84.067652
"1590023"	639.417428	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+K+HCOOH"	84.968628
"1416776"	669.448938	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+H+CF3COOH"	115.000138
"1149256"	339.771501	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+3ACN+2H"	125.094202
"1706469"	686.475485	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+NH4+CF3COOH"	132.026685
"1637745"	691.43088	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+Na+CF3COOH"	136.98208
"1573396"	707.40482	"C19795"	"1-Hydroxy-12-dihydrolycopene;Rhodopin;1-Hydroxylycopene"	"C40H58O"	"554.4488"	"M+K+CF3COOH"	152.95602
"802669"	610.1534	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M"	0
"981672"	591.13501	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-H2O-H"	-19.01839
"64448"	405.761657333333	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M-3H"	-3.021828
"502835"	609.146124	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M-3H"	-3.021828
"885086"	202.377190666667	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-3H"	-3.021828
"4755"	609.146124	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M-2H"	-2.014552
"444316"	914.222824	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M-2H"	-2.014552
"823213"	304.069424	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-2H"	-2.014552
"83205"	1219.299524	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M-H"	-1.007276
"523858"	1829.452924	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M-H"	-1.007276
"904939"	609.146124	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-H"	-1.007276
"49474"	1236.326071	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M-2H+NH4"	16.019271
"490129"	1846.479471	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M-2H+NH4"	16.019271
"866839"	626.172671	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-2H+NH4"	16.019271
"32550"	1241.281466	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M-2H+Na"	20.974666
"473207"	1851.434866	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M-2H+Na"	20.974666
"854295"	631.128066	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-2H+Na"	20.974666
"1624921"	631.128066	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Na-2H"	20.974666
"105833"	627.134463	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M-H+Cl"	33.962126
"544298"	932.211163	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M-H+Cl"	33.962126
"938906"	322.057763	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-H+Cl"	33.962126
"280745"	1255.276202	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+Cl"	34.969402
"664420"	1865.429602	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+Cl"	34.969402
"1276823"	645.122802	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Cl"	34.969402
"23755"	1257.255406	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M-2H+K"	36.948606
"464410"	1867.408806	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M-2H+K"	36.948606
"838932"	647.102006	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-2H+K"	36.948606
"1569708"	647.102006	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+K-2H"	36.948606
"944104"	655.151594	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-H+HCOOH"	44.998194
"365235"	1265.305001	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+HCOOH-H"	44.998201
"349484"	1279.320651	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+Hac-H"	59.013851
"1497587"	669.167251	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Hac-H"	59.013851
"965496"	677.133551	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-H+NaCOOH"	66.980151
"115499"	645.122802	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+2Cl"	69.938804
"553601"	950.199502	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+2Cl"	69.938804
"1021666"	340.046102	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2Cl"	69.938804
"1243069"	689.072285	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Br"	78.918885
"1316818"	691.128272	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Cl+HCOOH"	80.974872
"1325569"	713.110229	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Cl+NaCOOH"	102.956829
"914443"	723.138986	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M-H+CF3COOH"	112.985586
"1294430"	759.115664	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Cl+CF3COOH"	148.962264
"1373685"	575.140724	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H-2H2O"	-35.012676
"1395554"	593.1507	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H-H2O"	-17.0027
"293054"	1221.314076	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+H"	1.007276
"686570"	1831.467476	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+H"	1.007276
"1361829"	611.160676	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H"	1.007276
"137997"	611.160676	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+2H"	2.014552
"578651"	916.237376	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+2H"	2.014552
"1047451"	306.083976	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2H"	2.014552
"215352"	407.776209333333	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+3H"	3.021828
"648717"	611.160676	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+3H"	3.021828
"1168666"	204.391742666667	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+3H"	3.021828
"433031"	1238.340623	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+NH4"	18.033823
"797306"	1848.494023	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+NH4"	18.033823
"1694367"	628.187223	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+NH4"	18.033823
"343374"	619.6739495	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+H+NH4"	19.041099
"735429"	924.7506495	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+H+NH4"	19.041099
"1485970"	314.5972495	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H+NH4"	19.041099
"400273"	1243.296018	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+Na"	22.989218
"755802"	1853.449418	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+Na"	22.989218
"1606087"	633.142618	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Na"	22.989218
"319407"	622.151647	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+H+Na"	23.996494
"710736"	927.228347	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+H+Na"	23.996494
"1465647"	317.074947	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H+Na"	23.996494
"1057799"	211.719056666667	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2H+Na"	25.00377
"1259114"	643.186886	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+CH3OH+H"	33.033486
"381335"	1259.269958	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+K"	38.963158
"742334"	1869.423358	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+K"	38.963158
"1552040"	649.116558	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+K"	38.963158
"302656"	630.138617	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+H+K"	39.970434
"698357"	935.215317	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+H+K"	39.970434
"1458742"	325.061917	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H+K"	39.970434
"242970"	1262.340626	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+ACN+H"	42.033826
"1221512"	652.187226	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+ACN+H"	42.033826
"1205030"	326.597251	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+ACN+2H"	43.041102
"193526"	1265.27796	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+2Na-H"	44.97116
"635275"	1875.43136	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+2Na-H"	44.97116
"1137687"	655.12456	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2Na-H"	44.97116
"173327"	633.142618	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+2Na"	45.978436
"620179"	938.219318	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+2Na"	45.978436
"1128424"	328.065918	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2Na"	45.978436
"1413051"	219.046370666667	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H+2Na"	46.985712
"1445567"	657.166146	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H+HCOOH"	47.012746
"235636"	638.17564	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+3H2O+2H"	56.04448
"1522921"	671.21819	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+IsoProp+H"	61.06479
"423336"	641.129588	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+Na+K"	61.952376
"777042"	946.206288	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+Na+K"	61.952376
"1677750"	336.052888	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Na+K"	61.952376
"264267"	1284.322568	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+ACN+Na"	64.015768
"1238070"	674.169168	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+ACN+Na"	64.015768
"1717116"	674.192693	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+NH4+HCOOH"	64.039293
"1182471"	226.373684666667	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+3Na"	68.967654
"1655640"	679.148088	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Na+HCOOH"	68.994688
"160437"	1297.22584	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+2K-H"	76.91904
"598540"	1907.37924	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+2K-H"	76.91904
"1086578"	687.07244	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2K-H"	76.91904
"148859"	649.116558	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"2M+2K"	77.926316
"590606"	954.193258	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"3M+2K"	77.926316
"1072934"	344.039858	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2K"	77.926316
"1106143"	689.086992	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2K+H"	78.933592
"1341434"	689.174607	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+DMSO+H"	79.021207
"1016160"	693.213776	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2ACN+H"	83.060376
"1526996"	694.207408	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+IsoProp+Na+H"	84.054008
"994536"	347.110526	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+2ACN+2H"	84.067652
"1591225"	695.122028	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+K+HCOOH"	84.968628
"1415794"	725.153538	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+H+CF3COOH"	115.000138
"1149730"	367.623801	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+3ACN+2H"	125.094202
"1708766"	742.180085	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+NH4+CF3COOH"	132.026685
"1637855"	747.13548	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+Na+CF3COOH"	136.98208
"1572413"	763.10942	"C19796"	"Quercetin 3-O-rhamnoside 7-O-glucoside"	"C27H30O16"	"610.1534"	"M+K+CF3COOH"	152.95602
"802779"	400.313	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M"	0
"981782"	381.29461	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-H2O-H"	-19.01839
"65651"	265.868057333333	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M-3H"	-3.021828
"506304"	399.305724	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M-3H"	-3.021828
"885198"	132.430390666667	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-3H"	-3.021828
"10333"	399.305724	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M-2H"	-2.014552
"445519"	599.462224	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M-2H"	-2.014552
"826604"	199.149224	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-2H"	-2.014552
"84409"	799.618724	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M-H"	-1.007276
"527248"	1199.931724	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M-H"	-1.007276
"901769"	399.305724	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-H"	-1.007276
"50677"	816.645271	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M-2H+NH4"	16.019271
"490603"	1216.958271	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M-2H+NH4"	16.019271
"871322"	416.332271	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-2H+NH4"	16.019271
"34118"	821.600666	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M-2H+Na"	20.974666
"474774"	1221.913666	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M-2H+Na"	20.974666
"851487"	421.287666	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-2H+Na"	20.974666
"1622112"	421.287666	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Na-2H"	20.974666
"105940"	417.294063	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M-H+Cl"	33.962126
"544409"	617.450563	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M-H+Cl"	33.962126
"939015"	217.137563	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-H+Cl"	33.962126
"279760"	835.595402	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+Cl"	34.969402
"663437"	1235.908402	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+Cl"	34.969402
"1280214"	435.282402	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Cl"	34.969402
"23865"	837.574606	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M-2H+K"	36.948606
"461240"	1237.887606	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M-2H+K"	36.948606
"842322"	437.261606	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-2H+K"	36.948606
"1569454"	437.261606	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+K-2H"	36.948606
"947130"	445.311194	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-H+HCOOH"	44.998194
"364253"	845.624201	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+HCOOH-H"	44.998201
"352509"	859.639851	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+Hac-H"	59.013851
"1495145"	459.326851	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Hac-H"	59.013851
"962323"	467.293151	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-H+NaCOOH"	66.980151
"114512"	435.282402	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+2Cl"	69.938804
"554075"	635.438902	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+2Cl"	69.938804
"1026155"	235.125902	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2Cl"	69.938804
"1244637"	479.231885	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Br"	78.918885
"1308179"	481.287872	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Cl+HCOOH"	80.974872
"1322397"	503.269829	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Cl+NaCOOH"	102.956829
"915644"	513.298586	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M-H+CF3COOH"	112.985586
"1294540"	549.275264	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Cl+CF3COOH"	148.962264
"1370515"	365.300324	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H-2H2O"	-35.012676
"1390197"	383.3103	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H-H2O"	-17.0027
"292071"	801.633276	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+H"	1.007276
"684493"	1201.946276	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+H"	1.007276
"1361939"	401.320276	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H"	1.007276
"138108"	401.320276	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+2H"	2.014552
"577668"	601.476776	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+2H"	2.014552
"1046468"	201.163776	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2H"	2.014552
"214369"	267.882609333333	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+3H"	3.021828
"651743"	401.320276	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+3H"	3.021828
"1168778"	134.444942666667	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+3H"	3.021828
"432049"	818.659823	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+NH4"	18.033823
"795229"	1218.972823	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+NH4"	18.033823
"1695933"	418.346823	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+NH4"	18.033823
"344091"	409.8335495	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+H+NH4"	19.041099
"736632"	609.9900495	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+H+NH4"	19.041099
"1484986"	209.6770495	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H+NH4"	19.041099
"399291"	823.615218	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+Na"	22.989218
"758099"	1223.928218	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+Na"	22.989218
"1608385"	423.302218	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Na"	22.989218
"323892"	412.311247	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+H+Na"	23.996494
"710117"	612.467747	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+H+Na"	23.996494
"1462842"	212.154747	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H+Na"	23.996494
"1057910"	141.772256666667	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2H+Na"	25.00377
"1258130"	433.346486	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+CH3OH+H"	33.033486
"381447"	839.589158	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+K"	38.963158
"744631"	1239.902158	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+K"	38.963158
"1551422"	439.276158	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+K"	38.963158
"304953"	420.298217	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+H+K"	39.970434
"698467"	620.454717	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+H+K"	39.970434
"1458488"	220.141717	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H+K"	39.970434
"248183"	842.659826	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+ACN+H"	42.033826
"1222715"	442.346826	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+ACN+H"	42.033826
"1207328"	221.677051	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+ACN+2H"	43.041102
"193638"	845.59716	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+2Na-H"	44.97116
"639760"	1245.91016	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+2Na-H"	44.97116
"1141078"	445.28416	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2Na-H"	44.97116
"177811"	423.302218	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+2Na"	45.978436
"619925"	623.458718	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+2Na"	45.978436
"1128534"	223.145718	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2Na"	45.978436
"1411699"	149.099570666667	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H+2Na"	46.985712
"1440535"	447.325746	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H+HCOOH"	47.012746
"235501"	428.33524	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+3H2O+2H"	56.04448
"1522305"	461.37779	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+IsoProp+H"	61.06479
"419805"	431.289188	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+Na+K"	61.952376
"780434"	631.445688	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+Na+K"	61.952376
"1677860"	231.132688	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Na+K"	61.952376
"261826"	864.641768	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+ACN+Na"	64.015768
"1235628"	464.328768	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+ACN+Na"	64.015768
"1718320"	464.352293	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+NH4+HCOOH"	64.039293
"1181851"	156.426884666667	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+3Na"	68.967654
"1654657"	469.307688	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Na+HCOOH"	68.994688
"161520"	877.54504	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+2K-H"	76.91904
"602176"	1277.85804	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+2K-H"	76.91904
"1091061"	477.23204	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2K-H"	76.91904
"149700"	439.276158	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"2M+2K"	77.926316
"590356"	639.432658	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"3M+2K"	77.926316
"1075962"	239.119658	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2K"	77.926316
"1107350"	479.246592	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2K+H"	78.933592
"1343369"	479.334207	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+DMSO+H"	79.021207
"1018096"	483.373376	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2ACN+H"	83.060376
"1530387"	484.367008	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+IsoProp+Na+H"	84.054008
"993553"	242.190326	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+2ACN+2H"	84.067652
"1589150"	485.281628	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+K+HCOOH"	84.968628
"1416268"	515.313138	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+H+CF3COOH"	115.000138
"1149476"	262.703601	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+3ACN+2H"	125.094202
"1709969"	532.339685	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+NH4+CF3COOH"	132.026685
"1637965"	537.29508	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+Na+CF3COOH"	136.98208
"1572523"	553.26902	"C19797"	"44-Diapolycopene"	"C30H40"	"400.313"	"M+K+CF3COOH"	152.95602
"802035"	428.2715	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M"	0
"982985"	409.25311	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-H2O-H"	-19.01839
"63490"	284.507057333333	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M-3H"	-3.021828
"503861"	427.264224	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M-3H"	-3.021828
"886401"	141.749890666667	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-3H"	-3.021828
"4976"	427.264224	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M-2H"	-2.014552
"446723"	641.399974	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M-2H"	-2.014552
"826714"	213.128474	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-2H"	-2.014552
"84519"	855.535724	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M-H"	-1.007276
"522985"	1283.807224	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M-H"	-1.007276
"901879"	427.264224	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-H"	-1.007276
"48964"	872.562271	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M-2H+NH4"	16.019271
"490349"	1300.833771	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M-2H+NH4"	16.019271
"871433"	444.290771	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-2H+NH4"	16.019271
"36051"	877.517666	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M-2H+Na"	20.974666
"474155"	1305.789166	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M-2H+Na"	20.974666
"854513"	449.246166	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-2H+Na"	20.974666
"1628418"	449.246166	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Na-2H"	20.974666
"101674"	445.252563	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M-H+Cl"	33.962126
"545610"	659.388313	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M-H+Cl"	33.962126
"936937"	231.116813	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-H+Cl"	33.962126
"274399"	891.512402	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+Cl"	34.969402
"663547"	1319.783902	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+Cl"	34.969402
"1278137"	463.240902	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Cl"	34.969402
"20695"	893.491606	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M-2H+K"	36.948606
"458069"	1321.763106	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M-2H+K"	36.948606
"838058"	465.220106	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-2H+K"	36.948606
"1567013"	465.220106	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+K-2H"	36.948606
"952708"	473.269694	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-H+HCOOH"	44.998194
"370923"	901.541201	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+HCOOH-H"	44.998201
"350797"	915.556851	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+Hac-H"	59.013851
"1494527"	487.285351	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Hac-H"	59.013851
"960245"	495.251651	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-H+NaCOOH"	66.980151
"112433"	463.240902	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+2Cl"	69.938804
"550657"	677.376652	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+2Cl"	69.938804
"1024076"	249.105152	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2Cl"	69.938804
"1244746"	507.190385	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Br"	78.918885
"1308287"	509.246372	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Cl+HCOOH"	80.974872
"1324693"	531.228329	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Cl+NaCOOH"	102.956829
"911735"	541.257086	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M-H+CF3COOH"	112.985586
"1289015"	577.233764	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Cl+CF3COOH"	148.962264
"1373905"	393.258824	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H-2H2O"	-35.012676
"1389214"	411.2688	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H-H2O"	-17.0027
"285620"	857.550276	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+H"	1.007276
"681323"	1285.821776	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+H"	1.007276
"1360955"	429.278776	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H"	1.007276
"133846"	429.278776	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+2H"	2.014552
"573406"	643.414526	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+2H"	2.014552
"1042204"	215.143026	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2H"	2.014552
"207919"	286.521609333333	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+3H"	3.021828
"646384"	429.278776	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+3H"	3.021828
"1166334"	143.764442666667	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+3H"	3.021828
"428878"	874.576823	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+NH4"	18.033823
"794245"	1302.848323	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+NH4"	18.033823
"1691669"	446.305323	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+NH4"	18.033823
"342132"	437.7920495	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+H+NH4"	19.041099
"734554"	651.9277995	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+H+NH4"	19.041099
"1488375"	223.6562995	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H+NH4"	19.041099
"402682"	879.532218	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+Na"	22.989218
"757117"	1307.803718	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+Na"	22.989218
"1606308"	451.260718	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Na"	22.989218
"321815"	440.269747	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+H+Na"	23.996494
"712050"	654.405497	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+H+Na"	23.996494
"1463197"	226.133997	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H+Na"	23.996494
"1056926"	151.091756666667	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2H+Na"	25.00377
"1259335"	461.304986	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+CH3OH+H"	33.033486
"381557"	895.506158	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+K"	38.963158
"743647"	1323.777658	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+K"	38.963158
"1545699"	467.234658	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+K"	38.963158
"308343"	448.256717	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+H+K"	39.970434
"696390"	662.392467	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+H+K"	39.970434
"1455679"	234.120967	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H+K"	39.970434
"244283"	898.576826	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+ACN+H"	42.033826
"1222094"	470.305326	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+ACN+H"	42.033826
"1206709"	235.656301	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+ACN+2H"	43.041102
"194841"	901.51416	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+2Na-H"	44.97116
"639869"	1329.78566	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+2Na-H"	44.97116
"1144834"	473.24266	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2Na-H"	44.97116
"177919"	451.260718	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+2Na"	45.978436
"616387"	665.396468	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+2Na"	45.978436
"1129009"	237.124968	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2Na"	45.978436
"1408889"	158.419070666667	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H+2Na"	46.985712
"1440645"	475.284246	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H+HCOOH"	47.012746
"235202"	456.29374	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+3H2O+2H"	56.04448
"1521686"	489.33629	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+IsoProp+H"	61.06479
"421008"	459.247688	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+Na+K"	61.952376
"780911"	673.383438	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+Na+K"	61.952376
"1675053"	245.111938	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Na+K"	61.952376
"260843"	920.558768	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+ACN+Na"	64.015768
"1233552"	492.287268	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+ACN+Na"	64.015768
"1721347"	492.310793	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+NH4+HCOOH"	64.039293
"1184512"	165.746384666667	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+3Na"	68.967654
"1653674"	497.266188	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Na+HCOOH"	68.994688
"160537"	933.46204	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+2K-H"	76.91904
"601192"	1361.73354	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+2K-H"	76.91904
"1090081"	505.19054	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2K-H"	76.91904
"150175"	467.234658	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"2M+2K"	77.926316
"590101"	681.370408	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"3M+2K"	77.926316
"1077532"	253.098908	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2K"	77.926316
"1102112"	507.205092	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2K+H"	78.933592
"1341659"	507.292707	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+DMSO+H"	79.021207
"1019181"	511.331876	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2ACN+H"	83.060376
"1529404"	512.325508	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+IsoProp+Na+H"	84.054008
"995851"	256.169576	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+2ACN+2H"	84.067652
"1591447"	513.240128	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+K+HCOOH"	84.968628
"1414919"	543.271638	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+H+CF3COOH"	115.000138
"1148492"	276.682851	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+3ACN+2H"	125.094202
"1707893"	560.298185	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+NH4+CF3COOH"	132.026685
"1638075"	565.25358	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+Na+CF3COOH"	136.98208
"1572633"	581.22752	"C19798"	"44-Diapolycopenedial"	"C30H36O2"	"428.2715"	"M+K+CF3COOH"	152.95602
"802510"	502.0489	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M"	0
"983095"	483.03051	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-H2O-H"	-19.01839
"65141"	333.691990666667	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M-3H"	-3.021828
"504338"	501.041624	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M-3H"	-3.021828
"885418"	166.342357333333	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-3H"	-3.021828
"5085"	501.041624	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M-2H"	-2.014552
"446833"	752.066074	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M-2H"	-2.014552
"827917"	250.017174	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-2H"	-2.014552
"84629"	1003.090524	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M-H"	-1.007276
"523095"	1505.139424	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M-H"	-1.007276
"901989"	501.041624	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-H"	-1.007276
"48710"	1020.117071	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M-2H+NH4"	16.019271
"489608"	1522.165971	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M-2H+NH4"	16.019271
"872636"	518.068171	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-2H+NH4"	16.019271
"36161"	1025.072466	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M-2H+Na"	20.974666
"476816"	1527.121366	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M-2H+Na"	20.974666
"852436"	523.023566	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-2H+Na"	20.974666
"1628528"	523.023566	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Na-2H"	20.974666
"101784"	519.029963	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M-H+Cl"	33.962126
"545720"	770.054413	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M-H+Cl"	33.962126
"934860"	268.005513	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-H+Cl"	33.962126
"274509"	1039.067202	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+Cl"	34.969402
"670217"	1541.116102	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+Cl"	34.969402
"1280434"	537.018302	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Cl"	34.969402
"16915"	1041.046406	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M-2H+K"	36.948606
"459273"	1543.095306	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M-2H+K"	36.948606
"841449"	538.997506	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-2H+K"	36.948606
"1566028"	538.997506	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+K-2H"	36.948606
"951724"	547.047094	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-H+HCOOH"	44.998194
"369940"	1049.096001	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+HCOOH-H"	44.998201
"351637"	1063.111651	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+Hac-H"	59.013851
"1497552"	561.062751	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Hac-H"	59.013851
"960110"	569.029051	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-H+NaCOOH"	66.980151
"110475"	537.018302	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+2Cl"	69.938804
"551738"	788.042752	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+2Cl"	69.938804
"1023092"	285.993852	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2Cl"	69.938804
"1247042"	580.967785	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Br"	78.918885
"1308396"	583.023772	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Cl+HCOOH"	80.974872
"1324803"	605.005729	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Cl+NaCOOH"	102.956829
"912578"	615.034486	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M-H+CF3COOH"	112.985586
"1289046"	651.011164	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Cl+CF3COOH"	148.962264
"1368911"	467.036224	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H-2H2O"	-35.012676
"1384342"	485.0462	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H-H2O"	-17.0027
"285730"	1005.105076	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+H"	1.007276
"679610"	1507.153976	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+H"	1.007276
"1362158"	503.056176	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H"	1.007276
"135049"	503.056176	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+2H"	2.014552
"575702"	754.080626	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+2H"	2.014552
"1042313"	252.031726	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2H"	2.014552
"209120"	335.706542666667	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+3H"	3.021828
"646859"	503.056176	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+3H"	3.021828
"1165714"	168.356909333333	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+3H"	3.021828
"427165"	1022.131623	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+NH4"	18.033823
"794355"	1524.180523	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+NH4"	18.033823
"1688497"	520.082723	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+NH4"	18.033823
"337868"	511.5694495	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+H+NH4"	19.041099
"730290"	762.5938995	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+H+NH4"	19.041099
"1490308"	260.5449995	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H+NH4"	19.041099
"400604"	1027.087018	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+Na"	22.989218
"758320"	1529.135918	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+Na"	22.989218
"1605325"	525.038118	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Na"	22.989218
"321925"	514.047147	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+H+Na"	23.996494
"715440"	765.071597	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+H+Na"	23.996494
"1463794"	263.022697	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H+Na"	23.996494
"1054849"	175.684223333333	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2H+Na"	25.00377
"1258352"	535.082386	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+CH3OH+H"	33.033486
"381667"	1043.060958	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+K"	38.963158
"743757"	1545.109858	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+K"	38.963158
"1545809"	541.012058	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+K"	38.963158
"308453"	522.034117	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+H+K"	39.970434
"696500"	773.058567	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+H+K"	39.970434
"1455789"	271.009667	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H+K"	39.970434
"246580"	1046.131626	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+ACN+H"	42.033826
"1221475"	544.082726	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+ACN+H"	42.033826
"1208276"	272.545001	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+ACN+2H"	43.041102
"197139"	1049.06896	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+2Na-H"	44.97116
"642895"	1551.11786	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+2Na-H"	44.97116
"1144944"	547.02006	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2Na-H"	44.97116
"178394"	525.038118	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+2Na"	45.978436
"620871"	776.062568	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+2Na"	45.978436
"1130212"	274.013668	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2Na"	45.978436
"1408999"	183.011537333333	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H+2Na"	46.985712
"1441847"	549.061646	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H+HCOOH"	47.012746
"233367"	530.07114	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+3H2O+2H"	56.04448
"1519609"	563.11369	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+IsoProp+H"	61.06479
"418567"	533.025088	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+Na+K"	61.952376
"778468"	784.049538	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+Na+K"	61.952376
"1674798"	282.000638	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Na+K"	61.952376
"260223"	1068.113568	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+ACN+Na"	64.015768
"1232933"	566.064668	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+ACN+Na"	64.015768
"1720363"	566.088193	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+NH4+HCOOH"	64.039293
"1184987"	190.338851333333	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+3Na"	68.967654
"1653785"	571.043588	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Na+HCOOH"	68.994688
"160647"	1081.01684	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+2K-H"	76.91904
"601303"	1583.06574	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+2K-H"	76.91904
"1090191"	578.96794	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2K-H"	76.91904
"148099"	541.012058	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"2M+2K"	77.926316
"589482"	792.036508	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"3M+2K"	77.926316
"1075455"	289.987608	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2K"	77.926316
"1104288"	580.982492	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2K+H"	78.933592
"1342862"	581.070107	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+DMSO+H"	79.021207
"1019046"	585.109276	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2ACN+H"	83.060376
"1531700"	586.102908	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+IsoProp+Na+H"	84.054008
"998147"	293.058276	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+2ACN+2H"	84.067652
"1597024"	587.017528	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+K+HCOOH"	84.968628
"1415030"	617.049038	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+H+CF3COOH"	115.000138
"1148966"	313.571551	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+3ACN+2H"	125.094202
"1706909"	634.075585	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+NH4+CF3COOH"	132.026685
"1638185"	639.03098	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+Na+CF3COOH"	136.98208
"1572743"	655.00492	"C19799"	"Bis(1L-myo-inositol)-31-phosphate 1-phosphate"	"C12H24O17P2"	"502.0489"	"M+K+CF3COOH"	152.95602
"801392"	200.0837	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M"	0
"982112"	181.06531	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-H2O-H"	-19.01839
"63015"	132.381857333333	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M-3H"	-3.021828
"503474"	199.076424	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M-3H"	-3.021828
"885528"	65.6872906666667	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-3H"	-3.021828
"4102"	199.076424	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M-2H"	-2.014552
"445850"	299.118274	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M-2H"	-2.014552
"822560"	99.034574	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-2H"	-2.014552
"84739"	399.160124	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M-H"	-1.007276
"523204"	599.243824	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M-H"	-1.007276
"898817"	199.076424	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-H"	-1.007276
"51006"	416.186671	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M-2H+NH4"	16.019271
"489476"	616.270371	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M-2H+NH4"	16.019271
"868373"	216.102971	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-2H+NH4"	16.019271
"34448"	421.142066	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M-2H+Na"	20.974666
"475832"	621.225766	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M-2H+Na"	20.974666
"851453"	221.058366	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-2H+Na"	20.974666
"1628638"	221.058366	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Na-2H"	20.974666
"102989"	217.064763	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M-H+Cl"	33.962126
"544737"	317.106613	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M-H+Cl"	33.962126
"932782"	117.022913	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-H+Cl"	33.962126
"273526"	435.136802	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+Cl"	34.969402
"667047"	635.220502	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+Cl"	34.969402
"1280544"	235.053102	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Cl"	34.969402
"26380"	437.116006	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M-2H+K"	36.948606
"459382"	637.199706	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M-2H+K"	36.948606
"841558"	237.032306	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-2H+K"	36.948606
"1567232"	237.032306	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+K-2H"	36.948606
"953657"	245.081894	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-H+HCOOH"	44.998194
"371143"	445.165601	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+HCOOH-H"	44.998201
"353934"	459.181251	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+Hac-H"	59.013851
"1498392"	259.097551	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Hac-H"	59.013851
"960099"	267.063851	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-H+NaCOOH"	66.980151
"113017"	235.053102	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+2Cl"	69.938804
"552579"	335.094952	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+2Cl"	69.938804
"1024296"	135.011252	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2Cl"	69.938804
"1244964"	279.002585	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Br"	78.918885
"1308506"	281.058572	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Cl+HCOOH"	80.974872
"1320215"	303.040529	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Cl+NaCOOH"	102.956829
"912325"	313.069286	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M-H+CF3COOH"	112.985586
"1289397"	349.045964	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Cl+CF3COOH"	148.962264
"1367193"	165.071024	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H-2H2O"	-35.012676
"1384331"	183.081	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H-H2O"	-17.0027
"284017"	401.174676	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+H"	1.007276
"679356"	601.258376	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+H"	1.007276
"1358988"	201.090976	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H"	1.007276
"135159"	201.090976	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+2H"	2.014552
"573625"	301.132826	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+2H"	2.014552
"1039506"	101.049126	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2H"	2.014552
"207408"	134.396409333333	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+3H"	3.021828
"645873"	201.090976	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+3H"	3.021828
"1165094"	67.7018426666667	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+3H"	3.021828
"426910"	418.201223	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+NH4"	18.033823
"793371"	618.284923	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+NH4"	18.033823
"1688608"	218.117523	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+NH4"	18.033823
"335793"	209.6042495	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+H+NH4"	19.041099
"727118"	309.6460995	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+H+NH4"	19.041099
"1483129"	109.5623995	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H+NH4"	19.041099
"399622"	423.156618	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+Na"	22.989218
"764990"	623.240318	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+Na"	22.989218
"1611996"	223.072918	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Na"	22.989218
"318749"	212.081947	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+H+Na"	23.996494
"712270"	312.123797	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+H+Na"	23.996494
"1461373"	112.040097	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H+Na"	23.996494
"1053052"	75.0291566666667	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2H+Na"	25.00377
"1257243"	233.117186	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+CH3OH+H"	33.033486
"378497"	439.130558	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+K"	38.963158
"744960"	639.214258	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+K"	38.963158
"1543003"	239.046858	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+K"	38.963158
"308563"	220.068917	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+H+K"	39.970434
"695517"	320.110767	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+H+K"	39.970434
"1455899"	120.027067	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H+K"	39.970434
"243410"	442.201226	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+ACN+H"	42.033826
"1222314"	242.117526	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+ACN+H"	42.033826
"1206562"	121.562401	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+ACN+2H"	43.041102
"196155"	445.13856	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+2Na-H"	44.97116
"643006"	645.22226	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+2Na-H"	44.97116
"1140315"	245.05486	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2Na-H"	44.97116
"177411"	223.072918	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+2Na"	45.978436
"618794"	323.114768	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+2Na"	45.978436
"1121209"	123.031068	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2Na"	45.978436
"1404734"	82.3564706666667	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H+2Na"	46.985712
"1436849"	247.096446	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H+HCOOH"	47.012746
"230921"	228.10594	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+3H2O+2H"	56.04448
"1520809"	261.14849	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+IsoProp+H"	61.06479
"419404"	231.059888	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+Na+K"	61.952376
"778575"	331.101738	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+Na+K"	61.952376
"1674906"	131.018038	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Na+K"	61.952376
"260333"	464.183168	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+ACN+Na"	64.015768
"1233043"	264.099468	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+ACN+Na"	64.015768
"1720837"	264.122993	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+NH4+HCOOH"	64.039293
"1185097"	89.6837846666667	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+3Na"	68.967654
"1652802"	269.078388	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Na+HCOOH"	68.994688
"160758"	477.08644	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+2K-H"	76.91904
"600320"	677.17014	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+2K-H"	76.91904
"1090301"	277.00274	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2K-H"	76.91904
"148209"	239.046858	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"2M+2K"	77.926316
"592143"	339.088708	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"3M+2K"	77.926316
"1074470"	139.005008	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2K"	77.926316
"1102210"	279.017292	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2K+H"	78.933592
"1342972"	279.104907	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+DMSO+H"	79.021207
"1019521"	283.144076	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2ACN+H"	83.060376
"1530715"	284.137708	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+IsoProp+Na+H"	84.054008
"998257"	142.075676	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+2ACN+2H"	84.067652
"1596042"	285.052328	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+K+HCOOH"	84.968628
"1415869"	315.083838	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+H+CF3COOH"	115.000138
"1147983"	162.588951	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+3ACN+2H"	125.094202
"1708842"	332.110385	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+NH4+CF3COOH"	132.026685
"1638295"	337.06578	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+Na+CF3COOH"	136.98208
"1572853"	353.03972	"C19800"	"(3-Phenoxyphenyl)methanol;3-Phenoxybenzenemethanol"	"C13H12O2"	"200.0837"	"M+K+CF3COOH"	152.95602
"803219"	426.3862	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M"	0
"983315"	407.36781	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"63172"	283.250190666667	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"505650"	425.378924	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"886731"	141.121457333333	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"4213"	425.378924	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"445960"	638.572024	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"823764"	212.185824	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"84849"	851.765124	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"524405"	1278.151324	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"900384"	425.378924	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"50023"	868.791671	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"489585"	1295.177871	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"869211"	442.405471	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"37475"	873.747066	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"474484"	1300.133266	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"851927"	447.360866	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627655"	447.360866	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"108567"	443.367263	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"543754"	656.560363	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"935080"	230.174163	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"273636"	887.741802	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"666063"	1314.128002	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1280654"	461.355602	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"17135"	889.721006	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"456695"	1316.107206	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"839479"	463.334806	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1562967"	463.334806	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"948664"	471.384394	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"369065"	897.770601	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"350765"	911.786251	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1494490"	485.400051	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"959117"	493.366351	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"112766"	461.355602	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"550622"	674.548702	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1024406"	248.162502	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1245076"	505.305085	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1308616"	507.361072	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1321743"	529.343029	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"914986"	539.371786	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1290234"	575.348464	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1368763"	391.373524	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1383218"	409.3835	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"283437"	853.779676	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"679466"	1280.165876	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1360190"	427.393476	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"135269"	427.393476	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"574829"	640.586576	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1039618"	214.200376	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"206545"	285.264742666667	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"645619"	427.393476	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1164841"	143.136009333333	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"425925"	870.806223	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"793481"	1297.192423	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1690905"	444.420023	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"336996"	435.9067495	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"728324"	649.0998495	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1482146"	222.7136495	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"399732"	875.761618	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"762914"	1302.147818	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1613199"	449.375418	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"321046"	438.384447	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"708128"	651.577547	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1461582"	225.191347	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1052876"	150.463323333333	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1257270"	459.419686	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"378607"	891.735558	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"739603"	1318.121758	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1541653"	465.349358	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"305393"	446.371417	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"695627"	659.564517	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1457102"	233.178317	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"247892"	894.806226	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1220600"	468.420026	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1204486"	234.713651	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"195172"	897.74356	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"642995"	1324.12976	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1143705"	471.35736	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"179344"	449.375418	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"623278"	662.568518	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1124599"	236.182318	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1404844"	157.790637333333	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1439146"	473.398946	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"228843"	454.40844	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1517999"	487.45099	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"420243"	457.362388	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"780144"	670.555488	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1670643"	244.169288	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"260079"	916.788168	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1230237"	490.401968	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1718760"	490.425493	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1181563"	165.117951333333	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1652183"	495.380888	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"160139"	929.69144	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"598971"	1356.07764	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1089681"	503.30524	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"148318"	465.349358	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"586788"	678.542458	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1073486"	252.156258	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1100211"	505.319792	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1341988"	505.407407	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1019265"	509.446576	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1530825"	510.440208	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"997274"	255.226926	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1598339"	511.354828	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1415614"	541.386338	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1147728"	275.740201	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1711503"	558.412885	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1638405"	563.36828	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1572963"	579.34222	"C19801"	"Isomultiflorenol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"802237"	405.3454	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M"	0
"977956"	386.32701	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-H2O-H"	-19.01839
"71665"	269.222990666667	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M-3H"	-3.021828
"503937"	404.338124	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M-3H"	-3.021828
"891214"	134.107857333333	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-3H"	-3.021828
"2136"	404.338124	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M-2H"	-2.014552
"443883"	607.010824	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M-2H"	-2.014552
"818770"	201.665424	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-2H"	-2.014552
"81310"	809.683524	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M-H"	-1.007276
"521238"	1215.028924	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M-H"	-1.007276
"897946"	404.338124	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-H"	-1.007276
"57793"	826.710071	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M-2H+NH4"	16.019271
"491521"	1232.055471	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M-2H+NH4"	16.019271
"865680"	421.364671	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-2H+NH4"	16.019271
"31878"	831.665466	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M-2H+Na"	20.974666
"485793"	1237.010866	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M-2H+Na"	20.974666
"860432"	426.320066	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-2H+Na"	20.974666
"1628870"	426.320066	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Na-2H"	20.974666
"102118"	422.326463	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M-H+Cl"	33.962126
"535482"	624.999163	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M-H+Cl"	33.962126
"928633"	219.653763	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-H+Cl"	33.962126
"270474"	845.660202	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+Cl"	34.969402
"661433"	1251.005602	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+Cl"	34.969402
"1276389"	440.314802	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Cl"	34.969402
"16758"	847.639406	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M-2H+K"	36.948606
"459599"	1252.984806	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M-2H+K"	36.948606
"836308"	442.294006	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-2H+K"	36.948606
"1555667"	442.294006	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+K-2H"	36.948606
"943140"	450.343594	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-H+HCOOH"	44.998194
"362614"	855.689001	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+HCOOH-H"	44.998201
"345758"	869.704651	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+Hac-H"	59.013851
"1493135"	464.359251	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Hac-H"	59.013851
"958695"	472.325551	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-H+NaCOOH"	66.980151
"110558"	440.314802	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+2Cl"	69.938804
"551337"	642.987502	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+2Cl"	69.938804
"1022565"	237.642102	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2Cl"	69.938804
"1242999"	484.264285	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Br"	78.918885
"1305810"	486.320272	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Cl+HCOOH"	80.974872
"1322941"	508.302229	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Cl+NaCOOH"	102.956829
"911467"	518.330986	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M-H+CF3COOH"	112.985586
"1289251"	554.307664	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Cl+CF3COOH"	148.962264
"1367090"	370.332724	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H-2H2O"	-35.012676
"1385645"	388.3427	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H-H2O"	-17.0027
"283263"	811.698076	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+H"	1.007276
"677020"	1217.043476	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+H"	1.007276
"1355927"	406.352676	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H"	1.007276
"129908"	406.352676	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+2H"	2.014552
"572749"	609.025376	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+2H"	2.014552
"1043736"	203.679976	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2H"	2.014552
"210544"	271.237542666667	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+3H"	3.021828
"652292"	406.352676	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+3H"	3.021828
"1165316"	136.122409333333	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+3H"	3.021828
"432599"	828.724623	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+NH4"	18.033823
"794683"	1234.070023	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+NH4"	18.033823
"1691015"	423.379223	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+NH4"	18.033823
"340388"	414.8659495	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+H+NH4"	19.041099
"729526"	617.5386495	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+H+NH4"	19.041099
"1483346"	212.1932495	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H+NH4"	19.041099
"397653"	833.680018	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+Na"	22.989218
"754759"	1239.025418	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+Na"	22.989218
"1612215"	428.334618	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Na"	22.989218
"323343"	417.343647	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+H+Na"	23.996494
"709568"	620.016347	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+H+Na"	23.996494
"1463024"	214.670947	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H+Na"	23.996494
"1053962"	143.449723333333	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2H+Na"	25.00377
"1258677"	438.378886	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+CH3OH+H"	33.033486
"378106"	849.653958	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+K"	38.963158
"744086"	1254.999358	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+K"	38.963158
"1540669"	444.308558	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+K"	38.963158
"306598"	425.330617	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+H+K"	39.970434
"695737"	628.003317	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+H+K"	39.970434
"1457214"	222.657917	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H+K"	39.970434
"244721"	852.724626	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+ACN+H"	42.033826
"1221806"	447.379226	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+ACN+H"	42.033826
"1199128"	224.193251	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+ACN+2H"	43.041102
"195280"	855.66196	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+2Na-H"	44.97116
"633748"	1261.00736	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+2Na-H"	44.97116
"1136162"	450.31656	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2Na-H"	44.97116
"176540"	428.334618	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+2Na"	45.978436
"625825"	631.007318	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+2Na"	45.978436
"1120338"	225.661918	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2Na"	45.978436
"1409331"	150.777037333333	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H+2Na"	46.985712
"1439259"	452.358146	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H+HCOOH"	47.012746
"230048"	433.36764	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+3H2O+2H"	56.04448
"1521390"	466.41019	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+IsoProp+H"	61.06479
"414523"	436.321588	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+Na+K"	61.952376
"775522"	638.994288	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+Na+K"	61.952376
"1671849"	233.648888	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Na+K"	61.952376
"254359"	874.706568	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+ACN+Na"	64.015768
"1231078"	469.361168	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+ACN+Na"	64.015768
"1716318"	469.384693	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+NH4+HCOOH"	64.039293
"1181672"	158.104351333333	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+3Na"	68.967654
"1651928"	474.340088	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Na+HCOOH"	68.994688
"163164"	887.60984	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+2K-H"	76.91904
"603820"	1292.95524	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+2K-H"	76.91904
"1093801"	482.26444	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2K-H"	76.91904
"147336"	444.308558	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"2M+2K"	77.926316
"591272"	646.981258	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"3M+2K"	77.926316
"1076874"	241.635858	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2K"	77.926316
"1108991"	484.278992	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2K+H"	78.933592
"1345375"	484.366607	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+DMSO+H"	79.021207
"1011717"	488.405776	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2ACN+H"	83.060376
"1530946"	489.399408	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+IsoProp+Na+H"	84.054008
"996300"	244.706526	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+2ACN+2H"	84.067652
"1588617"	490.314028	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+K+HCOOH"	84.968628
"1418651"	520.345538	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+H+CF3COOH"	115.000138
"1159879"	265.219801	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+3ACN+2H"	125.094202
"1706151"	537.372085	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+NH4+CF3COOH"	132.026685
"1649456"	542.32748	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+Na+CF3COOH"	136.98208
"1582919"	558.30142	"C19805"	"Aminopentol;AP1"	"C22H47NO5"	"405.3454"	"M+K+CF3COOH"	152.95602
"803442"	176.0321	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M"	0
"975028"	157.01371	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"67400"	116.347457333333	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"516800"	175.024824	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"891324"	57.6700906666667	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"2245"	175.024824	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"446179"	263.040874	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"818392"	87.008774	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"82877"	351.056924	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"523901"	527.089024	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"897203"	175.024824	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"55717"	368.083471	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"491995"	544.115571	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"866154"	192.051371	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"32962"	373.038866	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"484689"	549.070966	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"861271"	197.006766	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1628980"	197.006766	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"102228"	193.013163	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"536323"	281.029213	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"930931"	104.997113	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"270584"	387.033602	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"664094"	563.065702	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1275406"	211.001502	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"15933"	389.012806	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"459709"	565.044906	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"836418"	212.980706	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1556625"	212.980706	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"942854"	221.030294	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"363085"	397.062401	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"345834"	411.078051	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1493488"	235.045951	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"958844"	243.012251	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"110912"	211.001502	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"550476"	299.017552	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1022069"	122.985452	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1241648"	254.950985	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1305191"	257.006972	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1320866"	278.988929	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"911560"	289.017686	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1290820"	324.994364	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1367529"	141.019424	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1385391"	159.0294	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"287266"	353.071476	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"677863"	529.103576	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1360411"	177.039376	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"130018"	177.039376	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"572860"	265.055426	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1042753"	89.023326	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"212841"	118.362009333333	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"652402"	177.039376	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1168341"	59.6846426666667	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"431613"	370.098023	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"798074"	546.130123	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1690033"	194.065923	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"342685"	185.5526495	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"729636"	273.5686995	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1483458"	97.5365995	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"401044"	375.053418	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"754988"	551.085518	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1609043"	199.021318	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"322360"	188.030347	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"709316"	276.046397	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1464230"	100.014297	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1053343"	67.0119566666667	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1257940"	209.065586	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"381015"	391.027358	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"740189"	567.059458	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1543331"	214.995258	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"306708"	196.017317	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"699127"	284.033367	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1454044"	108.001267	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"242646"	394.098026	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1217542"	218.065926	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1202519"	109.536601	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"193567"	397.03536	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"633858"	573.06746	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1136273"	221.00326	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"175921"	199.021318	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"626420"	287.037368	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1127011"	111.005268	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1409442"	74.3392706666667	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1442650"	223.044846	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"230158"	204.05434	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1521136"	237.09689	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"423251"	207.008288	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"779997"	295.024338	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1676328"	118.992238	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"258475"	416.079968	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1229002"	240.047868	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1717887"	240.071393	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1185428"	81.6665846666667	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1656414"	245.026788	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"164368"	428.98324	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"607210"	605.01534	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1097191"	252.95114	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"154009"	214.995258	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"593569"	303.011308	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1074796"	126.979208	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1111288"	254.965692	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1345485"	255.053307	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1015109"	259.092476	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1526677"	260.086108	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"995317"	130.049876	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1587634"	261.000728	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1418761"	291.032238	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1158895"	150.563151	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1709541"	308.058785	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1649202"	313.01418	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1583029"	328.98812	"C19806"	"Propane-123-tricarboxylate;Tricarballylate"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"803551"	344.0896	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M"	0
"980363"	325.07121	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H2O-H"	-19.01839
"69697"	228.385790666667	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-3H"	-3.021828
"510350"	343.082324	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-3H"	-3.021828
"888154"	113.689257333333	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-3H"	-3.021828
"4542"	343.082324	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H"	-2.014552
"445196"	515.127124	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H"	-2.014552
"819716"	171.037524	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H"	-2.014552
"85172"	687.171924	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-H"	-1.007276
"522548"	1031.261524	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-H"	-1.007276
"896946"	343.082324	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H"	-1.007276
"54733"	704.198471	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+NH4"	16.019271
"492470"	1048.288071	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+NH4"	16.019271
"866263"	360.108871	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+NH4"	16.019271
"35625"	709.153866	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+Na"	20.974666
"483583"	1053.243466	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+Na"	20.974666
"862841"	365.064266	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+Na"	20.974666
"1631278"	365.064266	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na-2H"	20.974666
"108415"	361.070663	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-H+Cl"	33.962126
"539713"	533.115463	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-H+Cl"	33.962126
"939789"	189.025863	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+Cl"	33.962126
"271787"	723.148602	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Cl"	34.969402
"664204"	1067.238202	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Cl"	34.969402
"1274424"	379.059002	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl"	34.969402
"18072"	725.127806	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M-2H+K"	36.948606
"463101"	1069.217406	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M-2H+K"	36.948606
"838715"	381.038206	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-2H+K"	36.948606
"1558192"	381.038206	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K-2H"	36.948606
"943524"	389.087794	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+HCOOH"	44.998194
"362105"	733.177401	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+HCOOH-H"	44.998201
"347080"	747.193051	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Hac-H"	59.013851
"1493722"	403.103451	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Hac-H"	59.013851
"959561"	411.069751	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+NaCOOH"	66.980151
"111143"	379.059002	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Cl"	69.938804
"551557"	551.103802	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Cl"	69.938804
"1023636"	207.014202	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Cl"	69.938804
"1242854"	423.008485	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Br"	78.918885
"1304571"	425.064472	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+HCOOH"	80.974872
"1320045"	447.046429	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+NaCOOH"	102.956829
"911911"	457.075186	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M-H+CF3COOH"	112.985586
"1290201"	493.051864	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Cl+CF3COOH"	148.962264
"1367639"	309.076924	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H-2H2O"	-35.012676
"1386960"	327.0869	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H-H2O"	-17.0027
"285552"	689.186476	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H"	1.007276
"678335"	1033.276076	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H"	1.007276
"1359428"	345.096876	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H"	1.007276
"129035"	345.096876	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2H"	2.014552
"571877"	517.141676	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2H"	2.014552
"1042863"	173.052076	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2H"	2.014552
"210764"	230.400342666667	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+3H"	3.021828
"650325"	345.096876	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+3H"	3.021828
"1169545"	115.703809333333	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3H"	3.021828
"431723"	706.213023	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+NH4"	18.033823
"799643"	1050.302623	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+NH4"	18.033823
"1693423"	362.123423	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4"	18.033823
"342430"	353.6101495	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+NH4"	19.041099
"728655"	525.6549495	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+NH4"	19.041099
"1484661"	181.5653495	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+NH4"	19.041099
"395686"	711.168418	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Na"	22.989218
"757775"	1055.258018	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Na"	22.989218
"1603189"	367.078818	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na"	22.989218
"321376"	356.087847	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+Na"	23.996494
"711613"	528.132647	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+Na"	23.996494
"1464339"	184.043047	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+Na"	23.996494
"1054062"	123.031123333333	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2H+Na"	25.00377
"1259388"	377.123086	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+CH3OH+H"	33.033486
"380032"	727.142358	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+K"	38.963158
"744308"	1071.231958	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+K"	38.963158
"1541495"	383.052758	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K"	38.963158
"306818"	364.074817	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+H+K"	39.970434
"697052"	536.119617	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+H+K"	39.970434
"1450144"	192.030017	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+K"	39.970434
"238381"	730.213026	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+ACN+H"	42.033826
"1212184"	386.123426	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+H"	42.033826
"1198254"	193.565351	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+2H"	43.041102
"192218"	733.15036	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Na-H"	44.97116
"633969"	1077.23996	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Na-H"	44.97116
"1134197"	389.06076	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Na-H"	44.97116
"179677"	367.078818	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2Na"	45.978436
"626894"	539.123618	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2Na"	45.978436
"1127121"	195.034018	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2Na"	45.978436
"1409552"	130.358437333333	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+2Na"	46.985712
"1441667"	391.102346	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+HCOOH"	47.012746
"232455"	372.11184	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+3H2O+2H"	56.04448
"1520519"	405.15439	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+IsoProp+H"	61.06479
"421298"	375.065788	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+Na+K"	61.952376
"780108"	547.110588	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+Na+K"	61.952376
"1678990"	203.020988	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+K"	61.952376
"259679"	752.194968	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+ACN+Na"	64.015768
"1226924"	408.105368	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+ACN+Na"	64.015768
"1717996"	408.128893	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4+HCOOH"	64.039293
"1187726"	137.685751333333	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3Na"	68.967654
"1654338"	413.084288	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+HCOOH"	68.994688
"166666"	765.09824	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2K-H"	76.91904
"604040"	1109.18784	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2K-H"	76.91904
"1094020"	421.00864	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K-H"	76.91904
"155090"	383.052758	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"2M+2K"	77.926316
"594772"	555.097558	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"3M+2K"	77.926316
"1068830"	211.007958	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K"	77.926316
"1111399"	423.023192	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2K+H"	78.933592
"1343408"	423.110807	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+DMSO+H"	79.021207
"1014125"	427.149976	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2ACN+H"	83.060376
"1526787"	428.143608	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+IsoProp+Na+H"	84.054008
"995427"	214.078626	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+2ACN+2H"	84.067652
"1594305"	429.058228	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K+HCOOH"	84.968628
"1426526"	459.089738	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+H+CF3COOH"	115.000138
"1162410"	234.591901	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+3ACN+2H"	125.094202
"1711839"	476.116285	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+NH4+CF3COOH"	132.026685
"1647489"	481.07168	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+Na+CF3COOH"	136.98208
"1579859"	497.04562	"C19807"	"345-O-Trimethyltricetin;57-Dihydroxy-345-trimethoxyflavone"	"C18H16O7"	"344.0896"	"M+K+CF3COOH"	152.95602
"810223"	314.1002	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M"	0
"978287"	295.08181	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-H2O-H"	-19.01839
"73088"	208.392857333333	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M-3H"	-3.021828
"508273"	313.092924	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M-3H"	-3.021828
"889357"	103.692790666667	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-3H"	-3.021828
"10118"	313.092924	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M-2H"	-2.014552
"449679"	470.143024	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M-2H"	-2.014552
"824201"	156.042824	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-2H"	-2.014552
"84555"	627.193124	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M-H"	-1.007276
"523753"	941.293324	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M-H"	-1.007276
"899729"	313.092924	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-H"	-1.007276
"57030"	644.219671	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M-2H+NH4"	16.019271
"491487"	958.319871	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M-2H+NH4"	16.019271
"867468"	330.119471	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-2H+NH4"	16.019271
"37193"	649.175066	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M-2H+Na"	20.974666
"485515"	963.275266	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M-2H+Na"	20.974666
"864046"	335.074866	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-2H+Na"	20.974666
"1629202"	335.074866	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Na-2H"	20.974666
"107553"	331.081263	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M-H+Cl"	33.962126
"539824"	488.131363	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M-H+Cl"	33.962126
"939899"	174.031163	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-H+Cl"	33.962126
"272990"	663.169802	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+Cl"	34.969402
"665407"	977.270002	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+Cl"	34.969402
"1277814"	349.069602	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Cl"	34.969402
"21462"	665.149006	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M-2H+K"	36.948606
"467584"	979.249206	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M-2H+K"	36.948606
"842105"	351.048806	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-2H+K"	36.948606
"1563406"	351.048806	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+K-2H"	36.948606
"945091"	359.098394	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-H+HCOOH"	44.998194
"365130"	673.198601	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+HCOOH-H"	44.998201
"346703"	687.214251	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+Hac-H"	59.013851
"1495293"	373.114051	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Hac-H"	59.013851
"960281"	381.080351	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-H+NaCOOH"	66.980151
"112471"	349.069602	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+2Cl"	69.938804
"551422"	506.119702	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+2Cl"	69.938804
"1023140"	192.019502	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2Cl"	69.938804
"1244423"	393.019085	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Br"	78.918885
"1306872"	395.075072	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Cl+HCOOH"	80.974872
"1322547"	417.057029	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Cl+NaCOOH"	102.956829
"912147"	427.085786	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M-H+CF3COOH"	112.985586
"1289584"	463.062464	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Cl+CF3COOH"	148.962264
"1367747"	279.087524	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H-2H2O"	-35.012676
"1389986"	297.0975	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H-H2O"	-17.0027
"285663"	629.207676	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+H"	1.007276
"678812"	943.307876	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+H"	1.007276
"1358445"	315.107476	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H"	1.007276
"130240"	315.107476	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+2H"	2.014552
"576362"	472.157576	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+2H"	2.014552
"1044067"	158.057376	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2H"	2.014552
"211966"	210.407409333333	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+3H"	3.021828
"653715"	315.107476	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+3H"	3.021828
"1170748"	105.707342666667	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+3H"	3.021828
"431832"	646.234223	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+NH4"	18.033823
"800483"	960.334423	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+NH4"	18.033823
"1695355"	332.134023	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+NH4"	18.033823
"342540"	323.6207495	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+H+NH4"	19.041099
"729858"	480.6708495	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+H+NH4"	19.041099
"1484771"	166.5706495	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H+NH4"	19.041099
"399076"	651.189618	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+Na"	22.989218
"758980"	965.289818	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+Na"	22.989218
"1603187"	337.089418	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Na"	22.989218
"317113"	326.098447	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+H+Na"	23.996494
"713909"	483.148547	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+H+Na"	23.996494
"1468823"	169.048347	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H+Na"	23.996494
"1054419"	113.034656666667	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2H+Na"	25.00377
"1264844"	347.133686	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+CH3OH+H"	33.033486
"382329"	667.163558	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+K"	38.963158
"747698"	981.263758	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+K"	38.963158
"1548656"	353.063358	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+K"	38.963158
"306928"	334.085417	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+H+K"	39.970434
"700442"	491.135517	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+H+K"	39.970434
"1451348"	177.035317	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H+K"	39.970434
"239950"	670.234226	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+ACN+H"	42.033826
"1215940"	356.134026	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+ACN+H"	42.033826
"1198730"	178.570651	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+ACN+2H"	43.041102
"193057"	673.17156	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+2Na-H"	44.97116
"632619"	987.27176	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+2Na-H"	44.97116
"1136494"	359.07136	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2Na-H"	44.97116
"177601"	337.089418	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+2Na"	45.978436
"620440"	494.139518	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+2Na"	45.978436
"1126137"	180.039318	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2Na"	45.978436
"1412943"	120.361970666667	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H+2Na"	46.985712
"1441778"	361.112946	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H+HCOOH"	47.012746
"233662"	342.12244	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+3H2O+2H"	56.04448
"1522452"	375.16499	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+IsoProp+H"	61.06479
"420316"	345.076388	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+Na+K"	61.952376
"779126"	502.126488	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+Na+K"	61.952376
"1677645"	188.026288	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Na+K"	61.952376
"261977"	692.216168	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+ACN+Na"	64.015768
"1230315"	378.115968	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+ACN+Na"	64.015768
"1718109"	378.139493	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+NH4+HCOOH"	64.039293
"1187836"	127.689284666667	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+3Na"	68.967654
"1656635"	383.094888	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Na+HCOOH"	68.994688
"168965"	705.11944	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+2K-H"	76.91904
"604152"	1019.21964	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+2K-H"	76.91904
"1095226"	391.01924	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2K-H"	76.91904
"150949"	353.063358	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"2M+2K"	77.926316
"596104"	510.113458	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"3M+2K"	77.926316
"1080487"	196.013258	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2K"	77.926316
"1111510"	393.033792	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2K+H"	78.933592
"1345706"	393.121407	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+DMSO+H"	79.021207
"1019461"	397.160576	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2ACN+H"	83.060376
"1529451"	398.154208	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+IsoProp+Na+H"	84.054008
"995533"	199.083926	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+2ACN+2H"	84.067652
"1591129"	399.068828	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+K+HCOOH"	84.968628
"1416792"	429.100338	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+H+CF3COOH"	115.000138
"1155834"	219.597201	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+3ACN+2H"	125.094202
"1711949"	446.126885	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+NH4+CF3COOH"	132.026685
"1642131"	451.08228	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+Na+CF3COOH"	136.98208
"1579969"	467.05622	"C19808"	"Glucovanillin"	"C14H18O8"	"314.1002"	"M+K+CF3COOH"	152.95602
"801742"	128.095	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M"	0
"976210"	109.07661	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-H2O-H"	-19.01839
"75385"	84.3893906666667	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M-3H"	-3.021828
"509477"	127.087724	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M-3H"	-3.021828
"887281"	41.6910573333333	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-3H"	-3.021828
"11322"	127.087724	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M-2H"	-2.014552
"447602"	191.135224	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M-2H"	-2.014552
"827591"	63.040224	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-2H"	-2.014552
"84302"	255.182724	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M-H"	-1.007276
"523863"	383.277724	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M-H"	-1.007276
"901663"	127.087724	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-H"	-1.007276
"56047"	272.209271	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M-2H+NH4"	16.019271
"493420"	400.304271	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M-2H+NH4"	16.019271
"871226"	144.114271	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-2H+NH4"	16.019271
"35480"	277.164666	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M-2H+Na"	20.974666
"475411"	405.259666	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M-2H+Na"	20.974666
"851388"	149.069666	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-2H+Na"	20.974666
"1626027"	149.069666	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Na-2H"	20.974666
"98180"	145.076063	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M-H+Cl"	33.962126
"537746"	209.123563	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M-H+Cl"	33.962126
"930531"	81.028563	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-H+Cl"	33.962126
"269814"	291.159402	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+Cl"	34.969402
"664424"	419.254402	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+Cl"	34.969402
"1275003"	163.064402	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Cl"	34.969402
"17924"	293.138606	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M-2H+K"	36.948606
"456025"	421.233606	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M-2H+K"	36.948606
"834194"	165.043606	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-2H+K"	36.948606
"1559869"	165.043606	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+K-2H"	36.948606
"948845"	173.093194	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-H+HCOOH"	44.998194
"362325"	301.188201	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+HCOOH-H"	44.998201
"347301"	315.203851	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+Hac-H"	59.013851
"1493334"	187.108851	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Hac-H"	59.013851
"958601"	195.075151	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-H+NaCOOH"	66.980151
"110345"	163.064402	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+2Cl"	69.938804
"550315"	227.111902	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+2Cl"	69.938804
"1021665"	99.016902	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2Cl"	69.938804
"1241980"	207.013885	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Br"	78.918885
"1305890"	209.069872	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Cl+HCOOH"	80.974872
"1320590"	231.051829	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Cl+NaCOOH"	102.956829
"911647"	241.080586	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M-H+CF3COOH"	112.985586
"1288839"	277.057264	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Cl+CF3COOH"	148.962264
"1367371"	93.082324	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H-2H2O"	-35.012676
"1384991"	111.0923	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H-H2O"	-17.0027
"285772"	257.197276	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+H"	1.007276
"678557"	385.292276	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+H"	1.007276
"1357461"	129.102276	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H"	1.007276
"130714"	129.102276	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+2H"	2.014552
"573193"	193.149776	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+2H"	2.014552
"1044177"	65.054776	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2H"	2.014552
"209889"	86.4039426666667	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+3H"	3.021828
"653824"	129.102276	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+3H"	3.021828
"1170858"	43.7056093333333	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+3H"	3.021828
"434129"	274.223823	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+NH4"	18.033823
"798405"	402.318823	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+NH4"	18.033823
"1693644"	146.128823	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+NH4"	18.033823
"341920"	137.6155495	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+H+NH4"	19.041099
"727782"	201.6630495	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+H+NH4"	19.041099
"1481601"	73.5680495	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H+NH4"	19.041099
"399186"	279.179218	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+Na"	22.989218
"761276"	407.274218	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+Na"	22.989218
"1602930"	151.084218	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Na"	22.989218
"317223"	140.093247	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+H+Na"	23.996494
"712926"	204.140747	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+H+Na"	23.996494
"1462130"	76.045747	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H+Na"	23.996494
"1053551"	51.0329233333333	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2H+Na"	25.00377
"1261670"	161.128486	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+CH3OH+H"	33.033486
"377369"	295.153158	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+K"	38.963158
"742339"	423.248158	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+K"	38.963158
"1542569"	167.058158	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+K"	38.963158
"303757"	148.080217	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+H+K"	39.970434
"696178"	212.127717	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+H+K"	39.970434
"1451091"	84.032717	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H+K"	39.970434
"240061"	298.223826	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+ACN+H"	42.033826
"1213862"	170.128826	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+ACN+H"	42.033826
"1197747"	85.568051	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+ACN+2H"	43.041102
"190982"	301.16116	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+2Na-H"	44.97116
"632365"	429.25616	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+2Na-H"	44.97116
"1135872"	173.06616	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2Na-H"	44.97116
"183177"	151.084218	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+2Na"	45.978436
"620550"	215.131718	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+2Na"	45.978436
"1124060"	87.036718	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2Na"	45.978436
"1413053"	58.3602373333333	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H+2Na"	46.985712
"1439700"	175.107746	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H+HCOOH"	47.012746
"232677"	156.11724	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+3H2O+2H"	56.04448
"1517459"	189.15979	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+IsoProp+H"	61.06479
"420061"	159.071188	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+Na+K"	61.952376
"781421"	223.118688	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+Na+K"	61.952376
"1676660"	95.023688	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Na+K"	61.952376
"263182"	320.205768	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+ACN+Na"	64.015768
"1231520"	192.110768	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+ACN+Na"	64.015768
"1719311"	192.134293	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+NH4+HCOOH"	64.039293
"1191227"	65.6875513333333	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+3Na"	68.967654
"1661122"	197.089688	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Na+HCOOH"	68.994688
"170168"	333.10904	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+2K-H"	76.91904
"608637"	461.20404	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+2K-H"	76.91904
"1097522"	205.01404	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2K-H"	76.91904
"156817"	167.058158	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"2M+2K"	77.926316
"596990"	231.105658	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"3M+2K"	77.926316
"1081690"	103.010658	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2K"	77.926316
"1113928"	207.028592	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2K+H"	78.933592
"1346909"	207.116207	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+DMSO+H"	79.021207
"1020911"	211.155376	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2ACN+H"	83.060376
"1531381"	212.149008	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+IsoProp+Na+H"	84.054008
"995643"	106.081326	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+2ACN+2H"	84.067652
"1590146"	213.063628	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+K+HCOOH"	84.968628
"1416901"	243.095138	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+H+CF3COOH"	115.000138
"1154850"	126.594601	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+3ACN+2H"	125.094202
"1712059"	260.121685	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+NH4+CF3COOH"	132.026685
"1642241"	265.07708	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+Na+CF3COOH"	136.98208
"1580079"	281.05102	"C19809"	"(S)-Piperidine-2-carboxamide"	"C6H12N2O"	"128.095"	"M+K+CF3COOH"	152.95602
"801695"	272.2504	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M"	0
"977414"	253.23201	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"73308"	180.492990666667	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"510680"	271.243124	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"890671"	89.7428573333333	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"3778"	271.243124	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"447712"	407.368324	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"825514"	135.117924	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"82225"	543.493524	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"523973"	815.743924	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"900679"	271.243124	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"50681"	560.520071	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"492437"	832.770471	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"868057"	288.269671	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"35955"	565.475466	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"476979"	837.725866	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"851134"	293.225066	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1622857"	293.225066	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"96833"	289.231463	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"547698"	425.356663	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"939754"	153.106263	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"278677"	579.470202	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"665629"	851.720602	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1280218"	307.219802	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"21680"	581.449406	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"456138"	853.699806	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"833940"	309.199006	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1560344"	309.199006	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"948227"	317.248594	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"364258"	589.499001	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"347779"	603.514651	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1494421"	331.264251	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"961236"	339.230551	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"111601"	307.219802	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"552255"	443.345002	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1022510"	171.094602	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1241726"	351.169285	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1304247"	353.225272	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1320699"	375.207229	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"911877"	385.235986	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1288706"	421.212664	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1369429"	237.237724	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1383027"	255.2477	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"282922"	545.508076	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"676396"	817.758476	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1353195"	273.257676	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H"	1.007276
"127542"	273.257676	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"574393"	409.382876	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1042098"	137.132476	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209999"	182.507542666667	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"653934"	273.257676	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1172061"	91.7574093333333	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"437520"	562.534623	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"800462"	834.785023	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1694482"	290.284223	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"338750"	281.7709495	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"726799"	417.8961495	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1481711"	145.6457495	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"398203"	567.490018	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"761387"	839.740418	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1603122"	295.239618	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"314777"	284.248647	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"707566"	420.373847	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1461791"	148.123447	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1052778"	99.0847233333333	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1257058"	305.283886	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"380360"	583.463958	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"744637"	855.714358	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1544137"	311.213558	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+K"	38.963158
"307147"	292.235617	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"699568"	428.360817	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1452296"	156.110417	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"240535"	586.534626	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1215066"	314.284226	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1198950"	157.645751	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"191091"	589.47196	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"629195"	861.72236	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1135254"	317.22156	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"183287"	295.239618	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"620660"	431.364818	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1124900"	159.114418	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1409883"	106.412037333333	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1440540"	319.263146	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"227320"	300.27264	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1520485"	333.31519	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"420536"	303.226588	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"779343"	439.351788	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1674584"	167.101388	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"263655"	608.516568	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1232723"	336.266168	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1724890"	336.289693	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1191339"	113.739351333333	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1665405"	341.245088	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"169186"	621.41984	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"609840"	893.67024	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1098727"	349.16944	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"156274"	311.213558	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"597087"	447.338758	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1082652"	175.088358	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1114769"	351.183992	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1348113"	351.271607	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1018832"	355.310776	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1533679"	356.304408	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"996846"	178.159026	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1589164"	357.219028	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1418104"	387.250538	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1153867"	198.672301	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1712536"	404.277085	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1642351"	409.23248	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1580189"	425.20642	"C19810"	"ent-Pimara-9(11)15-diene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"802171"	149.0324	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M"	0
"975335"	130.01401	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-H2O-H"	-19.01839
"62980"	98.3476573333333	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M-3H"	-3.021828
"503019"	148.025124	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M-3H"	-3.021828
"880127"	48.6701906666667	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-3H"	-3.021828
"279"	148.025124	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M-2H"	-2.014552
"440005"	222.541324	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M-2H"	-2.014552
"817973"	73.508924	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-2H"	-2.014552
"81977"	297.057524	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M-H"	-1.007276
"521903"	446.089924	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M-H"	-1.007276
"907362"	148.025124	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-H"	-1.007276
"49344"	314.084071	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M-2H+NH4"	16.019271
"488416"	463.116471	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M-2H+NH4"	16.019271
"875828"	165.051671	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-2H+NH4"	16.019271
"41541"	319.039466	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M-2H+Na"	20.974666
"484381"	468.071866	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M-2H+Na"	20.974666
"855625"	170.007066	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-2H+Na"	20.974666
"1626255"	170.007066	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Na-2H"	20.974666
"100594"	166.013463	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M-H+Cl"	33.962126
"543437"	240.529663	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M-H+Cl"	33.962126
"930389"	91.497263	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-H+Cl"	33.962126
"267727"	333.034202	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+Cl"	34.969402
"662460"	482.066602	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+Cl"	34.969402
"1277053"	184.001802	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Cl"	34.969402
"22889"	335.013406	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M-2H+K"	36.948606
"459167"	484.045806	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M-2H+K"	36.948606
"833323"	185.981006	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-2H+K"	36.948606
"1561551"	185.981006	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+K-2H"	36.948606
"942862"	194.030594	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-H+HCOOH"	44.998194
"361728"	343.063001	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+HCOOH-H"	44.998201
"345899"	357.078651	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+Hac-H"	59.013851
"1494165"	208.046251	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Hac-H"	59.013851
"959519"	216.012551	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-H+NaCOOH"	66.980151
"110235"	184.001802	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+2Cl"	69.938804
"552002"	258.518002	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+2Cl"	69.938804
"1021650"	109.485602	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2Cl"	69.938804
"1242199"	227.951285	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Br"	78.918885
"1305750"	230.007272	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Cl+HCOOH"	80.974872
"1321059"	251.989229	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Cl+NaCOOH"	102.956829
"914305"	262.017986	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M-H+CF3COOH"	112.985586
"1295755"	297.994664	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Cl+CF3COOH"	148.962264
"1375009"	114.019724	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H-2H2O"	-35.012676
"1385943"	132.0297	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H-H2O"	-17.0027
"287820"	299.072076	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+H"	1.007276
"682428"	448.104476	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+H"	1.007276
"1357686"	150.039676	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H"	1.007276
"135677"	150.039676	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+2H"	2.014552
"571226"	224.555876	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+2H"	2.014552
"1039658"	75.523476	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2H"	2.014552
"207196"	100.362209333333	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+3H"	3.021828
"649671"	150.039676	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+3H"	3.021828
"1173264"	50.6847426666667	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+3H"	3.021828
"433255"	316.098623	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+NH4"	18.033823
"793157"	465.131023	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+NH4"	18.033823
"1682930"	167.066223	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+NH4"	18.033823
"332302"	158.5529495	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+H+NH4"	19.041099
"729096"	233.0691495	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+H+NH4"	19.041099
"1479637"	84.0367495	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H+NH4"	19.041099
"397221"	321.054018	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+Na"	22.989218
"754804"	470.086418	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+Na"	22.989218
"1606315"	172.021618	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Na"	22.989218
"314399"	161.030647	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+H+Na"	23.996494
"714240"	235.546847	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+H+Na"	23.996494
"1462593"	86.514447	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H+Na"	23.996494
"1060214"	58.0120566666667	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2H+Na"	25.00377
"1260799"	182.065886	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+CH3OH+H"	33.033486
"378649"	337.027958	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+K"	38.963158
"740736"	486.060358	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+K"	38.963158
"1540603"	187.995558	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+K"	38.963158
"306166"	169.017617	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+H+K"	39.970434
"697493"	243.533817	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+H+K"	39.970434
"1450586"	94.501417	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H+K"	39.970434
"239551"	340.098626	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+ACN+H"	42.033826
"1215175"	191.066226	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+ACN+H"	42.033826
"1197966"	96.036751	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+ACN+2H"	43.041102
"193026"	343.03596	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+2Na-H"	44.97116
"633319"	492.06836	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+2Na-H"	44.97116
"1137920"	194.00356	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2Na-H"	44.97116
"181944"	172.021618	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+2Na"	45.978436
"624055"	246.537818	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+2Na"	45.978436
"1127562"	97.505418	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2Na"	45.978436
"1405253"	65.3393706666667	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H+2Na"	46.985712
"1442472"	196.045146	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H+HCOOH"	47.012746
"229252"	177.05464	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+3H2O+2H"	56.04448
"1517681"	210.09719	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+IsoProp+H"	61.06479
"410808"	180.008588	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+Na+K"	61.952376
"772899"	254.524788	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+Na+K"	61.952376
"1675794"	105.492388	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Na+K"	61.952376
"259033"	362.080568	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+ACN+Na"	64.015768
"1230647"	213.048168	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+ACN+Na"	64.015768
"1717344"	213.071693	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+NH4+HCOOH"	64.039293
"1183791"	72.6666846666667	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+3Na"	68.967654
"1655507"	218.027088	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Na+HCOOH"	68.994688
"164918"	374.98384	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+2K-H"	76.91904
"603388"	524.01624	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+2K-H"	76.91904
"1095552"	225.95144	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2K-H"	76.91904
"142891"	187.995558	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"2M+2K"	77.926316
"591929"	262.511758	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"3M+2K"	77.926316
"1070974"	113.479358	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2K"	77.926316
"1101995"	227.965992	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2K+H"	78.933592
"1343859"	228.053607	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+DMSO+H"	79.021207
"1009109"	232.092776	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2ACN+H"	83.060376
"1527594"	233.086408	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+IsoProp+Na+H"	84.054008
"992952"	116.550026	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+2ACN+2H"	84.067652
"1599129"	234.001028	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+K+HCOOH"	84.968628
"1428070"	264.032538	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+H+CF3COOH"	115.000138
"1158358"	137.063301	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+3ACN+2H"	125.094202
"1710095"	281.059085	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+NH4+CF3COOH"	132.026685
"1639183"	286.01448	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+Na+CF3COOH"	136.98208
"1583581"	301.98842	"C19813"	"threo-3-Hydroxy-D-aspartate"	"C4H7NO5"	"149.0324"	"M+K+CF3COOH"	152.95602
"802037"	272.2504	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M"	0
"976542"	253.23201	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"68064"	180.492990666667	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"503859"	271.243124	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"883237"	89.7428573333333	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"2907"	271.243124	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"440767"	407.368324	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"819540"	135.117924	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"81359"	543.493524	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"521648"	815.743924	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"907472"	271.243124	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"48730"	560.520071	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"491572"	832.770471	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"875938"	288.269671	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"41652"	565.475466	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"477930"	837.725866	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"857922"	293.225066	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1626364"	293.225066	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"98518"	289.231463	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"539172"	425.356663	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"932686"	153.106263	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"270149"	579.470202	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"663664"	851.720602	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1277163"	307.219802	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"20813"	581.449406	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"461463"	853.699806	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"835986"	309.199006	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1557408"	309.199006	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"943343"	317.248594	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"362654"	589.499001	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"345969"	603.514651	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1497560"	331.264251	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"961091"	339.230551	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"114735"	307.219802	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"550207"	443.345002	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1022001"	171.094602	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1241621"	351.169285	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1304318"	353.225272	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1320106"	375.207229	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"911446"	385.235986	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1289178"	421.212664	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1367704"	237.237724	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1383985"	255.2477	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"285742"	545.508076	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"682537"	817.758476	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1356699"	273.257676	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H"	1.007276
"126425"	273.257676	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"567079"	409.382876	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1039037"	137.132476	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"206941"	182.507542666667	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"647595"	273.257676	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1172281"	91.7574093333333	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"430085"	562.534623	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"797641"	834.785023	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1685228"	290.284223	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"333871"	281.7709495	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"735769"	417.8961495	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1478291"	145.6457495	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"397332"	567.490018	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755774"	839.740418	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1611892"	295.239618	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"318649"	284.248647	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"714352"	420.373847	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1470358"	148.123447	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1063970"	99.0847233333333	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1266377"	305.283886	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"386047"	583.463958	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"742305"	855.714358	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1545451"	311.213558	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+K"	38.963158
"308460"	292.235617	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"701975"	428.360817	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1453610"	156.110417	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"243304"	586.534626	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1218200"	314.284226	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1200992"	157.645751	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"192772"	589.47196	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"634521"	861.72236	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1136937"	317.22156	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"178044"	295.239618	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"622343"	431.364818	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1125849"	159.114418	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1403540"	106.412037333333	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1437115"	319.263146	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"228268"	300.27264	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1511957"	333.31519	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"413103"	303.226588	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"773008"	439.351788	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1669708"	167.101388	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"253308"	608.516568	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1226746"	336.266168	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1714903"	336.289693	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1182080"	113.739351333333	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1654524"	341.245088	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"166122"	621.41984	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"606776"	893.67024	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1094571"	349.16944	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"142512"	311.213558	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"583290"	447.338758	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1069744"	175.088358	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1101254"	351.183992	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1339226"	351.271607	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1009214"	355.310776	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1526244"	356.304408	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"992698"	178.159026	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1597053"	357.219028	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1423806"	387.250538	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1159560"	198.672301	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1708016"	404.277085	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1639293"	409.23248	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1583691"	425.20642	"C19814"	"Terpentetriene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"803120"	450.1936	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M"	0
"977746"	431.17521	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H2O-H"	-19.01839
"65257"	299.121790666667	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-3H"	-3.021828
"505550"	449.186324	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-3H"	-3.021828
"883348"	149.057257333333	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-3H"	-3.021828
"2289"	449.186324	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H"	-2.014552
"441608"	674.283124	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H"	-2.014552
"818192"	224.089524	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H"	-2.014552
"81469"	899.379924	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H"	-1.007276
"521394"	1349.573524	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H"	-1.007276
"909769"	449.186324	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H"	-1.007276
"49933"	916.406471	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+NH4"	16.019271
"491682"	1366.600071	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+NH4"	16.019271
"872768"	466.212871	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+NH4"	16.019271
"42855"	921.361866	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+Na"	20.974666
"481320"	1371.555466	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+Na"	20.974666
"859125"	471.168266	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+Na"	20.974666
"1626474"	471.168266	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na-2H"	20.974666
"100814"	467.174663	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H+Cl"	33.962126
"539282"	692.271463	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H+Cl"	33.962126
"932796"	242.077863	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+Cl"	33.962126
"273539"	935.356602	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Cl"	34.969402
"664867"	1385.550202	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Cl"	34.969402
"1279458"	485.163002	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl"	34.969402
"19827"	937.335806	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+K"	36.948606
"462667"	1387.529406	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+K"	36.948606
"836096"	487.142206	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+K"	36.948606
"1559584"	487.142206	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K-2H"	36.948606
"943576"	495.191794	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+HCOOH"	44.998194
"362519"	945.385401	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+HCOOH-H"	44.998201
"348472"	959.401051	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Hac-H"	59.013851
"1494750"	509.207451	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Hac-H"	59.013851
"962294"	517.173751	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+NaCOOH"	66.980151
"111930"	485.163002	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Cl"	69.938804
"550881"	710.259802	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Cl"	69.938804
"1022232"	260.066202	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Cl"	69.938804
"1241448"	529.112485	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Br"	78.918885
"1305963"	531.168472	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+HCOOH"	80.974872
"1320547"	553.150429	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+NaCOOH"	102.956829
"911600"	563.179186	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+CF3COOH"	112.985586
"1288635"	599.155864	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+CF3COOH"	148.962264
"1367572"	415.180924	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-2H2O"	-35.012676
"1383365"	433.1909	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-H2O"	-17.0027
"284513"	901.394476	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H"	1.007276
"677301"	1351.588076	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H"	1.007276
"1355715"	451.200876	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H"	1.007276
"126775"	451.200876	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2H"	2.014552
"566215"	676.297676	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2H"	2.014552
"1038049"	226.104076	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H"	2.014552
"205953"	301.136342666667	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H"	3.021828
"645879"	451.200876	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+3H"	3.021828
"1166194"	151.071809333333	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3H"	3.021828
"430195"	918.421023	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+NH4"	18.033823
"794471"	1368.614623	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+NH4"	18.033823
"1684605"	468.227423	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4"	18.033823
"331429"	459.7141495	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+NH4"	19.041099
"728225"	684.8109495	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+NH4"	19.041099
"1478522"	234.6173495	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+NH4"	19.041099
"394524"	923.376418	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na"	22.989218
"754546"	1373.570018	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na"	22.989218
"1606535"	473.182818	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na"	22.989218
"316937"	462.191847	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+Na"	23.996494
"712275"	687.288647	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+Na"	23.996494
"1468281"	237.095047	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+Na"	23.996494
"1063351"	158.399123333333	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H+Na"	25.00377
"1263207"	483.227086	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+CH3OH+H"	33.033486
"383970"	939.350358	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+K"	38.963158
"744965"	1389.543958	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+K"	38.963158
"1543375"	489.156758	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K"	38.963158
"306384"	470.178817	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+K"	39.970434
"700993"	695.275617	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+K"	39.970434
"1449346"	245.082017	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+K"	39.970434
"240134"	942.421026	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+H"	42.033826
"1215030"	492.227426	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+H"	42.033826
"1198915"	246.617351	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+2H"	43.041102
"191423"	945.35836	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na-H"	44.97116
"634267"	1395.55196	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na-H"	44.97116
"1138140"	495.16476	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na-H"	44.97116
"175967"	473.182818	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na"	45.978436
"620993"	698.279618	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na"	45.978436
"1124500"	248.086018	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na"	45.978436
"1404743"	165.726437333333	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+2Na"	46.985712
"1436858"	497.206346	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+HCOOH"	47.012746
"226555"	478.21584	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H2O+2H"	56.04448
"1517898"	511.25839	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+H"	61.06479
"412482"	481.169788	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na+K"	61.952376
"770317"	706.266588	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na+K"	61.952376
"1668362"	256.072988	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+K"	61.952376
"253783"	964.402968	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+Na"	64.015768
"1226613"	514.209368	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+Na"	64.015768
"1715743"	514.232893	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+HCOOH"	64.039293
"1179473"	173.053751333333	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3Na"	68.967654
"1652811"	519.188288	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+HCOOH"	68.994688
"161130"	977.30624	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K-H"	76.91904
"601057"	1427.49984	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K-H"	76.91904
"1091399"	527.11264	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K-H"	76.91904
"142256"	489.156758	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K"	77.926316
"582424"	714.253558	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K"	77.926316
"1069489"	264.059958	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K"	77.926316
"1100512"	529.127192	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K+H"	78.933592
"1339337"	529.214807	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+DMSO+H"	79.021207
"1007136"	533.253976	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+H"	83.060376
"1525136"	534.247608	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+Na+H"	84.054008
"992808"	267.130626	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+2H"	84.067652
"1599349"	535.162228	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+HCOOH"	84.968628
"1422822"	565.193738	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+CF3COOH"	115.000138
"1157482"	287.643901	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3ACN+2H"	125.094202
"1708126"	582.220285	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+CF3COOH"	132.026685
"1639403"	587.17568	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+CF3COOH"	136.98208
"1583801"	603.14962	"C19815"	"Terpentedienyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+CF3COOH"	152.95602
"802137"	272.2504	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M"	0
"977856"	253.23201	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"63194"	180.492990666667	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"504567"	271.243124	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"882728"	89.7428573333333	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"1305"	271.243124	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"440120"	407.368324	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"818056"	135.117924	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"81579"	543.493524	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"521140"	815.743924	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"896625"	271.243124	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"54417"	560.520071	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"495072"	832.770471	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"875794"	288.269671	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"44058"	565.475466	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"481430"	837.725866	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"858142"	293.225066	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1624397"	293.225066	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"102019"	289.231463	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"540486"	425.356663	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"933999"	153.106263	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"273649"	579.470202	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"664977"	851.720602	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1279568"	307.219802	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"19937"	581.449406	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"463870"	853.699806	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"836206"	309.199006	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1559694"	309.199006	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"943931"	317.248594	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"363970"	589.499001	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"348582"	603.514651	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1495226"	331.264251	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"964956"	339.230551	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"112040"	307.219802	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"551358"	443.345002	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1022103"	171.094602	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1241557"	351.169285	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1304491"	353.225272	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1321024"	375.207229	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"912083"	385.235986	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1291345"	421.212664	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1367052"	237.237724	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1383354"	255.2477	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"284138"	545.508076	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"680571"	817.758476	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1354366"	273.257676	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H"	1.007276
"125805"	273.257676	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"565962"	409.382876	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1037800"	137.132476	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209348"	182.507542666667	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"647448"	273.257676	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1169220"	91.7574093333333	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"435773"	562.534623	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"799685"	834.785023	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1685448"	290.284223	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"333727"	281.7709495	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"728336"	417.8961495	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1478025"	145.6457495	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"396093"	567.490018	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755143"	839.740418	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1605916"	295.239618	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"317411"	284.248647	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"714573"	420.373847	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1467298"	148.123447	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1063097"	99.0847233333333	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1263317"	305.283886	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"384080"	583.463958	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"743982"	855.714358	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1549316"	311.213558	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+K"	38.963158
"303579"	292.235617	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"702196"	428.360817	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1451643"	156.110417	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"240244"	586.534626	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1215140"	314.284226	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1196835"	157.645751	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"191895"	589.47196	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"629999"	861.72236	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1140801"	317.22156	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"182637"	295.239618	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"620011"	431.364818	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1126069"	159.114418	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1401573"	106.412037333333	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1435875"	319.263146	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"228853"	300.27264	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1518009"	333.31519	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"415507"	303.226588	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"778690"	439.351788	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1670656"	167.101388	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"252800"	608.516568	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1229518"	336.266168	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1713664"	336.289693	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1183758"	113.739351333333	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1654744"	341.245088	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"161969"	621.41984	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"603718"	893.67024	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1092602"	349.16944	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"143219"	311.213558	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"582902"	447.338758	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1070329"	175.088358	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1101233"	351.183992	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1339811"	351.271607	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1007367"	355.310776	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1525733"	356.304408	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"992185"	178.159026	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1599460"	357.219028	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1426213"	387.250538	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1159779"	198.672301	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1708236"	404.277085	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1639513"	409.23248	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1583911"	425.20642	"C19816"	"Elisabethatriene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"804434"	290.261	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M"	0
"977965"	271.24261	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"65114"	192.500057333333	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"504677"	289.253724	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"881747"	95.7463906666667	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"2144"	289.253724	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"443888"	434.384224	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"817684"	144.123224	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"80587"	579.514724	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"520876"	869.775724	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"896611"	289.253724	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"57804"	596.541271	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"495181"	886.802271	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"875904"	306.280271	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"40888"	601.496666	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"481540"	891.757666	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"858252"	311.235666	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1624507"	311.235666	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"103222"	307.242063	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"540595"	452.372563	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"933016"	162.111563	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"273759"	615.491402	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"665087"	905.752402	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1275669"	325.230402	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"17860"	617.470606	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"460700"	907.731606	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"838501"	327.209606	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1557617"	327.209606	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"943677"	335.259194	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"363351"	625.520201	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"347596"	639.535851	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1496429"	349.274851	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"962150"	357.241151	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"113972"	325.230402	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"551468"	470.360902	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1022700"	180.099902	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1242641"	369.179885	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1305090"	371.235872	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1322957"	393.217829	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"915112"	403.246586	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1292914"	439.223264	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1367184"	255.248324	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1383465"	273.2583	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"286436"	581.529276	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"681774"	871.790276	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1353382"	291.268276	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"127363"	291.268276	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"566437"	436.398776	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1041558"	146.137776	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"210552"	194.514609333333	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"647926"	291.268276	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1169330"	97.7609426666667	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"434790"	598.555823	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"796878"	888.816823	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1687743"	308.294823	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"337114"	299.7815495	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"726618"	444.9120495	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1482262"	154.6510495	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"393031"	603.511218	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"754447"	893.772218	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1603135"	313.250218	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"314516"	302.259247	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"707754"	447.389747	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1461939"	157.128747	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1053242"	105.088256666667	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1260511"	323.294486	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"377462"	619.485158	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"740447"	909.746158	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1545052"	329.224158	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"301137"	310.246217	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"694652"	455.376717	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1447379"	165.115717	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"238167"	622.555826	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1214156"	332.294826	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1196946"	166.651051	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"190183"	625.49316	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"630110"	915.75416	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1136171"	335.23216	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"182745"	313.250218	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"622307"	458.380718	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1128002"	168.119718	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1401683"	112.415570666667	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1435985"	337.273746	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"229692"	318.28324	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1519941"	351.32579	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"415618"	321.237188	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"778801"	466.367688	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1670766"	176.106688	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"254733"	644.537768	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1228535"	354.276768	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1717057"	354.300293	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1185327"	119.742884666667	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1657406"	359.255688	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"164267"	657.44104	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"606015"	947.70204	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1092713"	367.18004	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"142721"	329.224158	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"584716"	474.354658	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1069955"	184.093658	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1102438"	369.194592	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1338099"	369.282207	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1008451"	373.321376	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1524387"	374.315008	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"991931"	187.164326	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1597376"	375.229628	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1426323"	405.261138	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1157702"	207.677601	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1708346"	422.287685	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1636343"	427.24308	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1580741"	443.21702	"C19817"	"Phyllocladan-16alpha-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"807825"	136.1252	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M"	0
"976982"	117.10681	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"65224"	89.7428573333333	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"503813"	135.117924	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"883679"	44.3677906666667	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"917"	135.117924	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"444000"	203.180524	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"819616"	67.055324	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"81061"	271.243124	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"519528"	407.368324	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"896719"	135.117924	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"57914"	288.269671	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"495292"	424.394871	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"873101"	152.144471	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"41000"	293.225066	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"482750"	429.350266	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"860552"	157.099866	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1627897"	157.099866	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"98960"	153.106263	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"544353"	221.168863	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"935314"	85.043663	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"276423"	307.219802	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"668846"	443.345002	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1275779"	171.094602	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"22346"	309.199006	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"456519"	445.324206	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"834239"	173.073806	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1561010"	173.073806	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"943790"	181.123394	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"363464"	317.248601	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"348071"	331.264251	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1497633"	195.139051	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"960437"	203.105351	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"111897"	171.094602	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"551459"	239.157202	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1021836"	103.032002	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1241533"	215.044085	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1304711"	217.100072	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1324160"	239.082029	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"915586"	249.110786	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1294117"	285.087464	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1369727"	101.112524	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1385036"	119.1225	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"291649"	273.257676	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"684071"	409.382876	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1354952"	137.132476	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H"	1.007276
"127839"	137.132476	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"566793"	205.195076	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1041668"	69.069876	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"210662"	91.7574093333333	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"651316"	137.132476	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1170533"	46.3823426666667	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"431619"	290.284223	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"796625"	426.409423	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1691132"	154.159023	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"338317"	145.6457495	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"727457"	213.7083495	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1484558"	77.5831495	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"393237"	295.239618	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"754511"	431.364818	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1603007"	159.114418	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"314706"	148.123447	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"710423"	216.186047	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1461476"	80.060847	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1053064"	53.7096566666667	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1259162"	169.158686	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"378708"	311.213558	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"739583"	447.338758	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1548442"	175.088358	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+K"	38.963158
"302342"	156.110417	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"699137"	224.173017	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1447488"	88.047817	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"238277"	314.284226	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1211350"	178.159026	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1195598"	89.583151	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"189564"	317.22156	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"630579"	453.34676	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1131903"	181.09636	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"175199"	159.114418	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"620227"	227.177018	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1127381"	91.051818	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1402888"	61.0369706666667	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1435003"	183.137946	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"229073"	164.14744	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1517134"	197.18999	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"414635"	167.101388	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"778910"	235.163988	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1669779"	99.038788	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"256299"	336.266168	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1234475"	200.140968	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1715344"	200.164493	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1185437"	68.3642846666667	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1652778"	205.119888	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"161460"	349.16944	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"602843"	485.29464	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1090634"	213.04424	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"142022"	175.088358	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"583367"	243.150958	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1069337"	107.025758	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1101090"	215.058792	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1338942"	215.146407	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1008561"	219.185576	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1524497"	220.179208	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"994228"	110.096426	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1596393"	221.093828	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1427525"	251.125338	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1157812"	130.609701	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1708456"	268.151885	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1636453"	273.10728	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1580851"	289.08122	"C19818"	"beta-Phellandrene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"807934"	426.3862	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M"	0
"978186"	407.36781	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"67521"	283.250190666667	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510360"	425.378924	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"887068"	141.121457333333	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"3458"	425.378924	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"445204"	638.572024	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"820089"	212.185824	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"82268"	851.765124	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"521096"	1278.151324	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"898900"	425.378924	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"60579"	868.791671	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"500506"	1295.177871	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"874304"	442.405471	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"41110"	873.747066	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"484683"	1300.133266	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"861757"	447.360866	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1626914"	447.360866	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"102350"	443.367263	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"541911"	656.560363	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"937249"	230.174163	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"275077"	887.741802	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"670048"	1314.128002	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1276984"	461.355602	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"20633"	889.721006	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"459465"	1316.107206	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"835442"	463.334806	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1561120"	463.334806	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"947180"	471.384394	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"365029"	897.770601	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"348911"	911.786251	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1496648"	485.400051	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"962736"	493.366351	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"114923"	461.355602	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"552297"	674.548702	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1023287"	248.162502	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1244688"	505.305085	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1304459"	507.361072	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1323906"	529.343029	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"918612"	539.371786	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1298601"	575.348464	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1378586"	391.373524	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1388792"	409.3835	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"293947"	853.779676	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"683089"	1280.165876	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1358342"	427.393476	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"129043"	427.393476	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"569697"	640.586576	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1041779"	214.200376	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"211865"	285.264742666667	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"650334"	427.393476	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1169550"	143.136009333333	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433917"	870.806223	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"796736"	1297.192423	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1694524"	444.420023	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"340616"	435.9067495	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"733036"	649.0998495	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1485763"	222.7136495	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"393185"	875.761618	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"754866"	1302.147818	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1603486"	449.375418	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"314945"	438.384447	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"709440"	651.577547	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1463011"	225.191347	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1053951"	150.463323333333	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1259274"	459.419686	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"380037"	891.735558	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"739938"	1318.121758	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1547461"	465.349358	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"305732"	446.371417	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"699247"	659.564517	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1448694"	233.178317	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"241667"	894.806226	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1215469"	468.420026	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1202633"	234.713651	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"191129"	897.74356	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"631783"	1324.12976	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1136384"	471.35736	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"175304"	449.375418	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"617056"	662.568518	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1127125"	236.182318	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1408463"	157.790637333333	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1440580"	473.398946	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"228089"	454.40844	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1518337"	487.45099	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"414745"	457.362388	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"780113"	670.555488	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1675356"	244.169288	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"264064"	916.788168	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1238959"	490.401968	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1723470"	490.425493	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1192107"	165.117951333333	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1660907"	495.380888	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"163393"	929.69144	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"602954"	1356.07764	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1091837"	503.30524	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"149751"	465.349358	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"586031"	678.542458	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1073823"	252.156258	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1104118"	505.319792	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1337229"	505.407407	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1008671"	509.446576	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1525334"	510.440208	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"993244"	255.226926	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1595410"	511.354828	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1427635"	541.386338	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1157922"	275.740201	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1708566"	558.412885	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1639843"	563.36828	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1580961"	579.34222	"C19819"	"Cucurbitadienol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"805857"	426.3862	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"976109"	407.36781	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"64351"	283.250190666667	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"509376"	425.378924	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"883898"	141.121457333333	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"1381"	425.378924	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"442034"	638.572024	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"819106"	212.185824	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"81282"	851.765124	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"520478"	1278.151324	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"898644"	425.378924	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"58134"	868.791671	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"497697"	1295.177871	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"876238"	442.405471	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"41220"	873.747066	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"482607"	1300.133266	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"857494"	447.360866	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1624839"	447.360866	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"102462"	443.367263	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"540928"	656.560363	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"936630"	230.174163	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"274094"	887.741802	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"669793"	1314.128002	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1278917"	461.355602	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"20014"	889.721006	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"458118"	1316.107206	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"836281"	463.334806	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1559408"	463.334806	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"946197"	471.384394	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"364046"	897.770601	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"349020"	911.786251	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1494937"	485.400051	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"961753"	493.366351	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"112482"	461.355602	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"550826"	674.548702	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1024126"	248.162502	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1244798"	505.305085	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1304933"	507.361072	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1322194"	529.343029	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"916170"	539.371786	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1296524"	575.348464	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1368488"	391.373524	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1386713"	409.3835	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"295150"	853.779676	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"686477"	1280.165876	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1355900"	427.393476	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"130611"	427.393476	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"569807"	640.586576	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1041888"	214.200376	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"210881"	285.264742666667	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"650444"	427.393476	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1172942"	143.136009333333	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"434030"	870.806223	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"796117"	1297.192423	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1691354"	444.420023	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"342913"	435.9067495	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"733147"	649.0998495	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1489154"	222.7136495	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"393378"	875.761618	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"754854"	1302.147818	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1605630"	449.375418	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"316030"	438.384447	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"709183"	651.577547	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1463001"	225.191347	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1055521"	150.463323333333	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1259385"	459.419686	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"381242"	891.735558	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"741507"	1318.121758	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1549756"	465.349358	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"304749"	446.371417	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"701545"	659.564517	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1453179"	233.178317	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"241779"	894.806226	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1219953"	468.420026	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1198003"	234.713651	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"191238"	897.74356	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"634081"	1324.12976	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1135398"	471.35736	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"175049"	449.375418	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"615706"	662.568518	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1121767"	236.182318	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1408573"	157.790637333333	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1437408"	473.398946	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"228199"	454.40844	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1516261"	487.45099	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"415948"	457.362388	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"775849"	670.555488	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1673278"	244.169288	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"256519"	916.788168	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1235790"	490.401968	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720301"	490.425493	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1186754"	165.117951333333	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1661018"	495.380888	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"163503"	929.69144	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"604157"	1356.07764	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1090855"	503.30524	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"145487"	465.349358	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"585047"	678.542458	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1071746"	252.156258	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1103862"	505.319792	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1338431"	505.407407	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1008785"	509.446576	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1527271"	510.440208	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"993721"	255.226926	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1595520"	511.354828	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1422277"	541.386338	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1158032"	275.740201	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1705396"	558.412885	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1639953"	563.36828	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1574510"	579.34222	"C19820"	"Protostadienol;(17Z)-Protosta-17(20)24-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"802687"	144.0423	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M"	0
"975365"	125.02391	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-H2O-H"	-19.01839
"64093"	95.020924	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M-3H"	-3.021828
"511673"	143.035024	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M-3H"	-3.021828
"890568"	47.006824	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-3H"	-3.021828
"2948"	143.035024	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M-2H"	-2.014552
"444331"	215.056174	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M-2H"	-2.014552
"817756"	71.013874	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-2H"	-2.014552
"79569"	287.077324	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M-H"	-1.007276
"519494"	431.119624	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M-H"	-1.007276
"897299"	143.035024	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-H"	-1.007276
"54964"	304.103871	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M-2H+NH4"	16.019271
"494527"	448.146171	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M-2H+NH4"	16.019271
"872704"	160.061571	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-2H+NH4"	16.019271
"42425"	309.059266	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M-2H+Na"	20.974666
"479802"	453.101566	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M-2H+Na"	20.974666
"858696"	165.016966	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-2H+Na"	20.974666
"1626042"	165.016966	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Na-2H"	20.974666
"103665"	161.023363	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M-H+Cl"	33.962126
"544319"	233.044513	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M-H+Cl"	33.962126
"937833"	89.002213	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-H+Cl"	33.962126
"275297"	323.054002	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+Cl"	34.969402
"667718"	467.096302	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+Cl"	34.969402
"1279027"	179.011702	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Cl"	34.969402
"20124"	325.033206	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M-2H+K"	36.948606
"457862"	469.075506	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M-2H+K"	36.948606
"835298"	180.990906	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-2H+K"	36.948606
"1561705"	180.990906	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+K-2H"	36.948606
"944484"	189.040494	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-H+HCOOH"	44.998194
"364883"	333.082801	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+HCOOH-H"	44.998201
"347669"	347.098451	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+Hac-H"	59.013851
"1496505"	203.056151	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Hac-H"	59.013851
"961131"	211.022451	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-H+NaCOOH"	66.980151
"112592"	179.011702	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+2Cl"	69.938804
"552517"	251.032852	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+2Cl"	69.938804
"1024964"	106.990552	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2Cl"	69.938804
"1245272"	222.961185	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Br"	78.918885
"1306137"	225.017172	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Cl+HCOOH"	80.974872
"1321575"	246.999129	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Cl+NaCOOH"	102.956829
"916644"	257.027886	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M-H+CF3COOH"	112.985586
"1291165"	293.004564	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Cl+CF3COOH"	148.962264
"1370785"	109.029624	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H-2H2O"	-35.012676
"1384266"	127.0396	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H-H2O"	-17.0027
"289792"	289.091876	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+H"	1.007276
"678565"	433.134176	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+H"	1.007276
"1354549"	145.049576	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H"	1.007276
"129993"	145.049576	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+2H"	2.014552
"568094"	217.070726	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+2H"	2.014552
"1041998"	73.028426	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2H"	2.014552
"207712"	97.035476	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+3H"	3.021828
"650553"	145.049576	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+3H"	3.021828
"1170866"	49.021376	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+3H"	3.021828
"433047"	306.118423	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+NH4"	18.033823
"794041"	450.160723	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+NH4"	18.033823
"1689278"	162.076123	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+NH4"	18.033823
"340838"	153.5628495	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+H+NH4"	19.041099
"733257"	225.5839995	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+H+NH4"	19.041099
"1488171"	81.5416995	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H+NH4"	19.041099
"393200"	311.073818	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+Na"	22.989218
"754603"	455.116118	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+Na"	22.989218
"1604037"	167.031518	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Na"	22.989218
"316143"	156.040547	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+H+Na"	23.996494
"709658"	228.061697	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+H+Na"	23.996494
"1463840"	84.019397	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H+Na"	23.996494
"1055631"	56.34869	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2H+Na"	25.00377
"1260588"	177.075786	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+CH3OH+H"	33.033486
"381352"	327.047758	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+K"	38.963158
"742347"	471.090058	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+K"	38.963158
"1547679"	183.005458	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+K"	38.963158
"308139"	164.027517	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+H+K"	39.970434
"700562"	236.048667	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+H+K"	39.970434
"1451099"	92.006367	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H+K"	39.970434
"246260"	330.118426	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+ACN+H"	42.033826
"1217877"	186.076126	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+ACN+H"	42.033826
"1203947"	93.541701	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+ACN+2H"	43.041102
"189282"	333.05576	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+2Na-H"	44.97116
"631637"	477.09806	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+2Na-H"	44.97116
"1134414"	189.01346	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2Na-H"	44.97116
"174797"	167.031518	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+2Na"	45.978436
"614112"	239.052668	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+2Na"	45.978436
"1118960"	95.010368	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2Na"	45.978436
"1407590"	63.676004	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H+2Na"	46.985712
"1437518"	191.055046	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H+HCOOH"	47.012746
"223934"	172.06454	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+3H2O+2H"	56.04448
"1513090"	205.10709	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+IsoProp+H"	61.06479
"414964"	175.018488	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+Na+K"	61.952376
"774136"	247.039638	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+Na+K"	61.952376
"1672295"	102.997338	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Na+K"	61.952376
"256628"	352.100368	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+ACN+Na"	64.015768
"1235900"	208.058068	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+ACN+Na"	64.015768
"1720411"	208.081593	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+NH4+HCOOH"	64.039293
"1185764"	71.003318	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+3Na"	68.967654
"1661127"	213.036988	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Na+HCOOH"	68.994688
"161790"	365.00364	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+2K-H"	76.91904
"599892"	509.04594	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+2K-H"	76.91904
"1089872"	220.96134	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2K-H"	76.91904
"144867"	183.005458	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"2M+2K"	77.926316
"586251"	255.026608	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"3M+2K"	77.926316
"1071491"	110.984308	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2K"	77.926316
"1102514"	222.975892	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2K+H"	78.933592
"1337568"	223.063507	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+DMSO+H"	79.021207
"1007802"	227.102676	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2ACN+H"	83.060376
"1526288"	228.096308	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+IsoProp+Na+H"	84.054008
"993466"	114.054976	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+2ACN+2H"	84.067652
"1595630"	229.010928	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+K+HCOOH"	84.968628
"1424574"	259.042438	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+H+CF3COOH"	115.000138
"1157049"	134.568251	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+3ACN+2H"	125.094202
"1708786"	276.068985	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+NH4+CF3COOH"	132.026685
"1640063"	281.02438	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+Na+CF3COOH"	136.98208
"1574620"	296.99832	"C19821"	"2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one;Microthecin"	"C6H8O4"	"144.0423"	"M+K+CF3COOH"	152.95602
"802189"	144.0423	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M"	0
"975236"	125.02391	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-H2O-H"	-19.01839
"64571"	95.020924	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M-3H"	-3.021828
"506316"	143.035024	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M-3H"	-3.021828
"890678"	47.006824	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-3H"	-3.021828
"3788"	143.035024	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M-2H"	-2.014552
"445534"	215.056174	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M-2H"	-2.014552
"817868"	71.013874	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-2H"	-2.014552
"79679"	287.077324	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M-H"	-1.007276
"519968"	431.119624	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M-H"	-1.007276
"897406"	143.035024	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-H"	-1.007276
"52887"	304.103871	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M-2H+NH4"	16.019271
"496823"	448.146171	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M-2H+NH4"	16.019271
"872448"	160.061571	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-2H+NH4"	16.019271
"42535"	309.059266	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M-2H+Na"	20.974666
"481005"	453.101566	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M-2H+Na"	20.974666
"857711"	165.016966	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-2H+Na"	20.974666
"1626153"	165.016966	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Na-2H"	20.974666
"103774"	161.023363	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M-H+Cl"	33.962126
"543333"	233.044513	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M-H+Cl"	33.962126
"936848"	89.002213	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-H+Cl"	33.962126
"273221"	323.054002	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+Cl"	34.969402
"664182"	467.096302	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+Cl"	34.969402
"1277313"	179.011702	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Cl"	34.969402
"16829"	325.033206	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M-2H+K"	36.948606
"460161"	469.075506	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M-2H+K"	36.948606
"835772"	180.990906	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-2H+K"	36.948606
"1558532"	180.990906	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+K-2H"	36.948606
"943493"	189.040494	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-H+HCOOH"	44.998194
"364993"	333.082801	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+HCOOH-H"	44.998201
"347416"	347.098451	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+Hac-H"	59.013851
"1496249"	203.056151	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Hac-H"	59.013851
"961607"	211.022451	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-H+NaCOOH"	66.980151
"112702"	179.011702	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+2Cl"	69.938804
"551531"	251.032852	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+2Cl"	69.938804
"1023008"	106.990552	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2Cl"	69.938804
"1244653"	222.961185	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Br"	78.918885
"1304424"	225.017172	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Cl+HCOOH"	80.974872
"1321315"	246.999129	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Cl+NaCOOH"	102.956829
"916390"	257.027886	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M-H+CF3COOH"	112.985586
"1292004"	293.004564	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Cl+CF3COOH"	148.962264
"1370530"	109.029624	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H-2H2O"	-35.012676
"1384012"	127.0396	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H-H2O"	-17.0027
"288809"	289.091876	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+H"	1.007276
"678310"	433.134176	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+H"	1.007276
"1354295"	145.049576	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H"	1.007276
"129375"	145.049576	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+2H"	2.014552
"570029"	217.070726	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+2H"	2.014552
"1044296"	73.028426	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2H"	2.014552
"213289"	97.035476	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+3H"	3.021828
"652852"	145.049576	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+3H"	3.021828
"1169882"	49.021376	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+3H"	3.021828
"435342"	306.118423	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+NH4"	18.033823
"796336"	450.160723	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+NH4"	18.033823
"1691574"	162.076123	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+NH4"	18.033823
"342040"	153.5628495	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+H+NH4"	19.041099
"735554"	225.5839995	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+H+NH4"	19.041099
"1488280"	81.5416995	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H+NH4"	19.041099
"393353"	311.073818	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+Na"	22.989218
"755199"	455.116118	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+Na"	22.989218
"1606216"	167.031518	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Na"	22.989218
"317346"	156.040547	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+H+Na"	23.996494
"709769"	228.061697	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+H+Na"	23.996494
"1462616"	84.019397	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H+Na"	23.996494
"1056834"	56.34869	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2H+Na"	25.00377
"1260698"	177.075786	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+CH3OH+H"	33.033486
"380369"	327.047758	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+K"	38.963158
"745739"	471.090058	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+K"	38.963158
"1549978"	183.005458	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+K"	38.963158
"306062"	164.027517	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+H+K"	39.970434
"699577"	236.048667	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+H+K"	39.970434
"1453396"	92.006367	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H+K"	39.970434
"246370"	330.118426	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+ACN+H"	42.033826
"1220173"	186.076126	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+ACN+H"	42.033826
"1204055"	93.541701	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+ACN+2H"	43.041102
"189635"	333.05576	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+2Na-H"	44.97116
"630654"	477.09806	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+2Na-H"	44.97116
"1132703"	189.01346	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2Na-H"	44.97116
"172916"	167.031518	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+2Na"	45.978436
"614460"	239.052668	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+2Na"	45.978436
"1116877"	95.010368	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2Na"	45.978436
"1405513"	63.676004	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H+2Na"	46.985712
"1434348"	191.055046	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H+HCOOH"	47.012746
"222949"	172.06454	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+3H2O+2H"	56.04448
"1509917"	205.10709	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+IsoProp+H"	61.06479
"410697"	175.018488	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+Na+K"	61.952376
"774973"	247.039638	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+Na+K"	61.952376
"1672404"	102.997338	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Na+K"	61.952376
"257831"	352.100368	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+ACN+Na"	64.015768
"1236010"	208.058068	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+ACN+Na"	64.015768
"1722707"	208.081593	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+NH4+HCOOH"	64.039293
"1186967"	71.003318	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+3Na"	68.967654
"1661237"	213.036988	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Na+HCOOH"	68.994688
"162629"	365.00364	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+2K-H"	76.91904
"602189"	509.04594	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+2K-H"	76.91904
"1091076"	220.96134	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2K-H"	76.91904
"143884"	183.005458	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"2M+2K"	77.926316
"585268"	255.026608	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"3M+2K"	77.926316
"1071236"	110.984308	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2K"	77.926316
"1102989"	222.975892	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2K+H"	78.933592
"1340474"	223.063507	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+DMSO+H"	79.021207
"1011193"	227.102676	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2ACN+H"	83.060376
"1529317"	228.096308	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+IsoProp+Na+H"	84.054008
"992483"	114.054976	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+2ACN+2H"	84.067652
"1593553"	229.010928	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+K+HCOOH"	84.968628
"1427965"	259.042438	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+H+CF3COOH"	115.000138
"1158252"	134.568251	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+3ACN+2H"	125.094202
"1708896"	276.068985	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+NH4+CF3COOH"	132.026685
"1640173"	281.02438	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+Na+CF3COOH"	136.98208
"1574730"	296.99832	"C19822"	"15-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;Ascopyrone M"	"C6H8O4"	"144.0423"	"M+K+CF3COOH"	152.95602
"801935"	589.071	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M"	0
"974270"	570.05261	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H2O-H"	-19.01839
"64681"	391.706724	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-3H"	-3.021828
"509706"	588.063724	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-3H"	-3.021828
"887508"	195.349724	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-3H"	-3.021828
"9365"	588.063724	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H"	-2.014552
"444551"	882.599224	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H"	-2.014552
"819437"	293.528224	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H"	-2.014552
"80155"	1177.134724	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-H"	-1.007276
"520567"	1766.205724	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-H"	-1.007276
"897881"	588.063724	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H"	-1.007276
"51174"	1194.161271	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H+NH4"	16.019271
"495840"	1783.232271	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H+NH4"	16.019271
"872559"	605.090271	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H+NH4"	16.019271
"39365"	1199.116666	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H+Na"	20.974666
"481115"	1788.187666	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H+Na"	20.974666
"855635"	610.045666	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H+Na"	20.974666
"1626264"	610.045666	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na-2H"	20.974666
"101699"	606.052063	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-H+Cl"	33.962126
"542351"	900.587563	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-H+Cl"	33.962126
"935865"	311.516563	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+Cl"	33.962126
"272236"	1213.111402	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Cl"	34.969402
"665385"	1802.182402	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+Cl"	34.969402
"1275600"	624.040402	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl"	34.969402
"16332"	1215.090606	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M-2H+K"	36.948606
"458079"	1804.161606	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M-2H+K"	36.948606
"834789"	626.019606	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-2H+K"	36.948606
"1560830"	626.019606	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K-2H"	36.948606
"942819"	634.069194	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+HCOOH"	44.998194
"361823"	1223.140201	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+HCOOH-H"	44.998201
"347163"	1237.155851	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Hac-H"	59.013851
"1493808"	648.084851	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Hac-H"	59.013851
"960622"	656.051151	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+NaCOOH"	66.980151
"112445"	624.040402	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2Cl"	69.938804
"552737"	918.575902	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2Cl"	69.938804
"1021902"	329.504902	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2Cl"	69.938804
"1241397"	667.989885	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Br"	78.918885
"1304656"	670.045872	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl+HCOOH"	80.974872
"1320087"	692.027829	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl+NaCOOH"	102.956829
"917959"	702.056586	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M-H+CF3COOH"	112.985586
"1291021"	738.033264	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Cl+CF3COOH"	148.962264
"1369544"	554.058324	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H-2H2O"	-35.012676
"1384243"	572.0683	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H-H2O"	-17.0027
"288919"	1179.149276	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H"	1.007276
"677328"	1768.220276	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H"	1.007276
"1355501"	590.078276	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H"	1.007276
"129485"	590.078276	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2H"	2.014552
"570139"	884.613776	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2H"	2.014552
"1044406"	295.542776	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2H"	2.014552
"212306"	393.721276	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+3H"	3.021828
"655149"	590.078276	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+3H"	3.021828
"1171087"	197.364276	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+3H"	3.021828
"436547"	1196.175823	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+NH4"	18.033823
"796446"	1785.246823	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+NH4"	18.033823
"1693871"	607.104823	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+NH4"	18.033823
"341057"	598.5915495	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H+NH4"	19.041099
"734571"	893.1270495	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H+NH4"	19.041099
"1489487"	304.0560495	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+NH4"	19.041099
"395047"	1201.131218	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Na"	22.989218
"756042"	1790.202218	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+Na"	22.989218
"1608513"	612.060218	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na"	22.989218
"317457"	601.069247	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H+Na"	23.996494
"709150"	895.604747	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H+Na"	23.996494
"1463698"	306.533747	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+Na"	23.996494
"1058038"	204.69159	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2H+Na"	25.00377
"1264087"	622.104486	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+CH3OH+H"	33.033486
"383759"	1217.105158	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+K"	38.963158
"743661"	1806.176158	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+K"	38.963158
"1543529"	628.034158	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K"	38.963158
"305078"	609.056217	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+H+K"	39.970434
"694221"	903.591717	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+H+K"	39.970434
"1453507"	314.520717	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+K"	39.970434
"244294"	1220.175826	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+ACN+H"	42.033826
"1218096"	631.104826	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+ACN+H"	42.033826
"1203074"	316.056051	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+ACN+2H"	43.041102
"189381"	1223.11316	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2Na-H"	44.97116
"630036"	1812.18416	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2Na-H"	44.97116
"1133906"	634.04216	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2Na-H"	44.97116
"173311"	612.060218	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2Na"	45.978436
"615309"	906.595718	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2Na"	45.978436
"1116626"	317.524718	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2Na"	45.978436
"1404531"	212.018904	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+2Na"	46.985712
"1434458"	636.083746	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+HCOOH"	47.012746
"221238"	617.09324	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+3H2O+2H"	56.04448
"1510031"	650.13579	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+IsoProp+H"	61.06479
"409350"	620.047188	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+Na+K"	61.952376
"771075"	914.582688	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+Na+K"	61.952376
"1670691"	325.511688	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na+K"	61.952376
"261224"	1242.157768	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+ACN+Na"	64.015768
"1235027"	653.086768	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+ACN+Na"	64.015768
"1719537"	653.110293	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+NH4+HCOOH"	64.039293
"1183796"	219.346218	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+3Na"	68.967654
"1655147"	658.065688	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na+HCOOH"	68.994688
"163832"	1255.06104	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2K-H"	76.91904
"605580"	1844.13204	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2K-H"	76.91904
"1090091"	665.99004	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2K-H"	76.91904
"144724"	628.034158	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"2M+2K"	77.926316
"585378"	922.569658	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"3M+2K"	77.926316
"1070617"	333.498658	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2K"	77.926316
"1101641"	668.004592	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2K+H"	78.933592
"1340584"	668.092207	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+DMSO+H"	79.021207
"1010210"	672.131376	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2ACN+H"	83.060376
"1528333"	673.125008	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+IsoProp+Na+H"	84.054008
"992957"	336.569326	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+2ACN+2H"	84.067652
"1593663"	674.039628	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K+HCOOH"	84.968628
"1414823"	704.071138	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+H+CF3COOH"	115.000138
"1158362"	357.082601	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+3ACN+2H"	125.094202
"1709006"	721.097685	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+NH4+CF3COOH"	132.026685
"1640283"	726.05308	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+Na+CF3COOH"	136.98208
"1574840"	742.02702	"C19823"	"UDP-2-acetamido-26-dideoxy-beta-L-arabino-hexos-4-ulose;UDP-2-acetamido-26-dideoxy-beta-L-arabino-hex-4-ulose"	"C17H25N3O16P2"	"589.071"	"M+K+CF3COOH"	152.95602
"811767"	144.0423	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M"	0
"978739"	125.02391	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-H2O-H"	-19.01839
"63700"	95.020924	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M-3H"	-3.021828
"507637"	143.035024	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M-3H"	-3.021828
"883250"	47.006824	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-3H"	-3.021828
"5107"	143.035024	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M-2H"	-2.014552
"444666"	215.056174	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M-2H"	-2.014552
"821375"	71.013874	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-2H"	-2.014552
"82460"	287.077324	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M-H"	-1.007276
"526403"	431.119624	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M-H"	-1.007276
"903114"	143.035024	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-H"	-1.007276
"59684"	304.103871	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M-2H+NH4"	16.019271
"495964"	448.146171	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M-2H+NH4"	16.019271
"871577"	160.061571	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-2H+NH4"	16.019271
"44948"	309.059266	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M-2H+Na"	20.974666
"479038"	453.101566	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M-2H+Na"	20.974666
"851371"	165.016966	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-2H+Na"	20.974666
"1623093"	165.016966	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Na-2H"	20.974666
"100714"	161.023363	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M-H+Cl"	33.962126
"536995"	233.044513	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M-H+Cl"	33.962126
"932698"	89.002213	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-H+Cl"	33.962126
"274535"	323.054002	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+Cl"	34.969402
"664767"	467.096302	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+Cl"	34.969402
"1277171"	179.011702	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Cl"	34.969402
"21187"	325.033206	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M-2H+K"	36.948606
"460385"	469.075506	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M-2H+K"	36.948606
"832795"	180.990906	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-2H+K"	36.948606
"1556075"	180.990906	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+K-2H"	36.948606
"944448"	189.040494	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-H+HCOOH"	44.998194
"362663"	333.082801	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+HCOOH-H"	44.998201
"347638"	347.098451	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+Hac-H"	59.013851
"1495379"	203.056151	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Hac-H"	59.013851
"958955"	211.022451	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-H+NaCOOH"	66.980151
"112568"	179.011702	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+2Cl"	69.938804
"555409"	251.032852	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+2Cl"	69.938804
"1022744"	106.990552	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2Cl"	69.938804
"1247069"	222.961185	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Br"	78.918885
"1312799"	225.017172	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Cl+HCOOH"	80.974872
"1332481"	246.999129	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Cl+NaCOOH"	102.956829
"923539"	257.027886	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M-H+CF3COOH"	112.985586
"1293686"	293.004564	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Cl+CF3COOH"	148.962264
"1381204"	109.029624	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H-2H2O"	-35.012676
"1386791"	127.0396	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H-H2O"	-17.0027
"290123"	289.091876	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+H"	1.007276
"680357"	433.134176	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+H"	1.007276
"1356705"	145.049576	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H"	1.007276
"129596"	145.049576	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+2H"	2.014552
"572436"	217.070726	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+2H"	2.014552
"1043423"	73.028426	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2H"	2.014552
"213512"	97.035476	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+3H"	3.021828
"653071"	145.049576	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+3H"	3.021828
"1173018"	49.021376	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+3H"	3.021828
"433376"	306.118423	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+NH4"	18.033823
"795464"	450.160723	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+NH4"	18.033823
"1692888"	162.076123	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+NH4"	18.033823
"340075"	153.5628495	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+H+NH4"	19.041099
"723872"	225.5839995	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+H+NH4"	19.041099
"1478297"	81.5416995	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H+NH4"	19.041099
"393453"	311.073818	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+Na"	22.989218
"754810"	455.116118	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+Na"	22.989218
"1603516"	167.031518	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Na"	22.989218
"317564"	156.040547	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+H+Na"	23.996494
"708894"	228.061697	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+H+Na"	23.996494
"1462351"	84.019397	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H+Na"	23.996494
"1059245"	56.34869	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2H+Na"	25.00377
"1259828"	177.075786	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+CH3OH+H"	33.033486
"382774"	327.047758	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+K"	38.963158
"745960"	471.090058	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+K"	38.963158
"1548013"	183.005458	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+K"	38.963158
"303367"	164.027517	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+H+K"	39.970434
"695420"	236.048667	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+H+K"	39.970434
"1452523"	92.006367	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H+K"	39.970434
"241122"	330.118426	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+ACN+H"	42.033826
"1213829"	186.076126	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+ACN+H"	42.033826
"1197351"	93.541701	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+ACN+2H"	43.041102
"189860"	333.05576	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+2Na-H"	44.97116
"629540"	477.09806	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+2Na-H"	44.97116
"1139132"	189.01346	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2Na-H"	44.97116
"174769"	167.031518	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+2Na"	45.978436
"614331"	239.052668	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+2Na"	45.978436
"1119660"	95.010368	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2Na"	45.978436
"1401725"	63.676004	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H+2Na"	46.985712
"1434572"	191.055046	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H+HCOOH"	47.012746
"225724"	172.06454	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+3H2O+2H"	56.04448
"1509530"	205.10709	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+IsoProp+H"	61.06479
"418583"	175.018488	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+Na+K"	61.952376
"778487"	247.039638	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+Na+K"	61.952376
"1678098"	102.997338	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Na+K"	61.952376
"264617"	352.100368	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+ACN+Na"	64.015768
"1235139"	208.058068	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+ACN+Na"	64.015768
"1725117"	208.081593	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+NH4+HCOOH"	64.039293
"1189380"	71.003318	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+3Na"	68.967654
"1659270"	213.036988	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Na+HCOOH"	68.994688
"162850"	365.00364	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+2K-H"	76.91904
"600950"	509.04594	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+2K-H"	76.91904
"1084331"	220.96134	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2K-H"	76.91904
"144110"	183.005458	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"2M+2K"	77.926316
"583062"	255.026608	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"3M+2K"	77.926316
"1071103"	110.984308	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2K"	77.926316
"1105407"	222.975892	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2K+H"	78.933592
"1338512"	223.063507	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+DMSO+H"	79.021207
"1011415"	227.102676	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2ACN+H"	83.060376
"1532828"	228.096308	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+IsoProp+Na+H"	84.054008
"1001460"	114.054976	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+2ACN+2H"	84.067652
"1593774"	229.010928	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+K+HCOOH"	84.968628
"1429280"	259.042438	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+H+CF3COOH"	115.000138
"1159568"	134.568251	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+3ACN+2H"	125.094202
"1709118"	276.068985	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+NH4+CF3COOH"	132.026685
"1643675"	281.02438	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+Na+CF3COOH"	136.98208
"1574952"	296.99832	"C19826"	"15-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose;Ascopyrone P;5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one"	"C6H8O4"	"144.0423"	"M+K+CF3COOH"	152.95602
"811877"	294.2195	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M"	0
"982129"	275.20111	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-H2O-H"	-19.01839
"68185"	195.139057333333	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M-3H"	-3.021828
"508840"	293.212224	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M-3H"	-3.021828
"886640"	97.0658906666666	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-3H"	-3.021828
"7404"	293.212224	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M-2H"	-2.014552
"443683"	440.321974	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M-2H"	-2.014552
"823672"	146.102474	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-2H"	-2.014552
"83663"	587.431724	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M-H"	-1.007276
"525415"	881.651224	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M-H"	-1.007276
"905411"	293.212224	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-H"	-1.007276
"61742"	604.458271	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M-2H+NH4"	16.019271
"502395"	898.677771	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M-2H+NH4"	16.019271
"879711"	310.238771	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-2H+NH4"	16.019271
"46276"	609.413666	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M-2H+Na"	20.974666
"484986"	903.633166	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M-2H+Na"	20.974666
"861326"	315.194166	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-2H+Na"	20.974666
"1630859"	315.194166	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Na-2H"	20.974666
"108847"	311.200563	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M-H+Cl"	33.962126
"542574"	458.310313	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M-H+Cl"	33.962126
"934995"	164.090813	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-H+Cl"	33.962126
"275739"	623.408402	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+Cl"	34.969402
"670347"	917.627902	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+Cl"	34.969402
"1283843"	329.188902	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Cl"	34.969402
"24215"	625.387606	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M-2H+K"	36.948606
"463773"	919.607106	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M-2H+K"	36.948606
"837199"	331.168106	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-2H+K"	36.948606
"1557406"	331.168106	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+K-2H"	36.948606
"946017"	339.217694	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-H+HCOOH"	44.998194
"367149"	633.437201	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+HCOOH-H"	44.998201
"351034"	647.452851	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+Hac-H"	59.013851
"1495491"	353.233351	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Hac-H"	59.013851
"959142"	361.199651	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-H+NaCOOH"	66.980151
"115959"	329.188902	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+2Cl"	69.938804
"557707"	476.298652	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+2Cl"	69.938804
"1023583"	182.079152	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2Cl"	69.938804
"1249366"	373.138385	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Br"	78.918885
"1312910"	375.194372	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Cl+HCOOH"	80.974872
"1331499"	397.176329	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Cl+NaCOOH"	102.956829
"924744"	407.205086	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M-H+CF3COOH"	112.985586
"1298170"	443.181764	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Cl+CF3COOH"	148.962264
"1380585"	259.206824	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H-2H2O"	-35.012676
"1385442"	277.2168	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H-H2O"	-17.0027
"293514"	589.446276	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+H"	1.007276
"687031"	883.665776	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+H"	1.007276
"1359005"	295.226776	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H"	1.007276
"136268"	295.226776	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+2H"	2.014552
"575828"	442.336526	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+2H"	2.014552
"1044628"	148.117026	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2H"	2.014552
"215810"	197.153609333333	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+3H"	3.021828
"653184"	295.226776	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+3H"	3.021828
"1172402"	99.0804426666667	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+3H"	3.021828
"433488"	606.472823	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+NH4"	18.033823
"796669"	900.692323	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+NH4"	18.033823
"1693730"	312.253323	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+NH4"	18.033823
"344195"	303.7400495	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+H+NH4"	19.041099
"730424"	450.8497995	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+H+NH4"	19.041099
"1480962"	156.6302995	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H+NH4"	19.041099
"398546"	611.428218	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+Na"	22.989218
"761727"	905.647718	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+Na"	22.989218
"1607641"	317.208718	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Na"	22.989218
"318774"	306.217747	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+H+Na"	23.996494
"714475"	453.327497	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+H+Na"	23.996494
"1469389"	159.107997	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H+Na"	23.996494
"1058262"	106.407756666667	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2H+Na"	25.00377
"1268689"	327.252986	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+CH3OH+H"	33.033486
"387263"	627.402158	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+K"	38.963158
"749351"	921.621658	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+K"	38.963158
"1543749"	333.182658	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+K"	38.963158
"302384"	314.204717	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+H+K"	39.970434
"694436"	461.314467	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+H+K"	39.970434
"1448988"	167.094967	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H+K"	39.970434
"243422"	630.472826	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+ACN+H"	42.033826
"1213218"	336.253326	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+ACN+H"	42.033826
"1197464"	168.630301	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+ACN+2H"	43.041102
"191069"	633.41016	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+2Na-H"	44.97116
"633548"	927.62966	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+2Na-H"	44.97116
"1139242"	339.19066	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2Na-H"	44.97116
"181440"	317.208718	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+2Na"	45.978436
"619913"	464.318468	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+2Na"	45.978436
"1124512"	170.098968	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2Na"	45.978436
"1406941"	113.735070666667	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H+2Na"	46.985712
"1438326"	341.232246	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H+HCOOH"	47.012746
"225470"	322.24174	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+3H2O+2H"	56.04448
"1510251"	355.28429	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+IsoProp+H"	61.06479
"423924"	325.195688	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+Na+K"	61.952376
"781882"	472.305438	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+Na+K"	61.952376
"1680033"	178.085938	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Na+K"	61.952376
"266308"	652.454768	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+ACN+Na"	64.015768
"1240474"	358.235268	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+ACN+Na"	64.015768
"1725227"	358.258793	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+NH4+HCOOH"	64.039293
"1192769"	121.062384666667	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+3Na"	68.967654
"1658287"	363.214188	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Na+HCOOH"	68.994688
"162960"	665.35804	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+2K-H"	76.91904
"600697"	959.57754	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+2K-H"	76.91904
"1091414"	371.13854	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2K-H"	76.91904
"151512"	333.182658	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"2M+2K"	77.926316
"583780"	480.292408	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"3M+2K"	77.926316
"1076687"	186.072908	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2K"	77.926316
"1106617"	373.153092	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2K+H"	78.933592
"1342640"	373.240707	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+DMSO+H"	79.021207
"1013719"	377.279876	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2ACN+H"	83.060376
"1530753"	378.273508	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+IsoProp+Na+H"	84.054008
"996105"	189.143576	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+2ACN+2H"	84.067652
"1597170"	379.188128	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+K+HCOOH"	84.968628
"1428293"	409.219638	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+H+CF3COOH"	115.000138
"1160772"	209.656851	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+3ACN+2H"	125.094202
"1710323"	426.246185	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+NH4+CF3COOH"	132.026685
"1640505"	431.20158	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+Na+CF3COOH"	136.98208
"1581623"	447.17552	"C19827"	"Colneleate;(8E)-9-(1E3Z)-Nona-13-dien-1-yloxynon-8-enoate"	"C18H30O3"	"294.2195"	"M+K+CF3COOH"	152.95602
"805426"	444.3967	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M"	0
"983332"	425.37831	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-H2O-H"	-19.01839
"65013"	295.257190666667	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M-3H"	-3.021828
"511136"	443.389424	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M-3H"	-3.021828
"886750"	147.124957333333	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-3H"	-3.021828
"5326"	443.389424	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M-2H"	-2.014552
"443793"	665.587774	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M-2H"	-2.014552
"823781"	221.191074	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-2H"	-2.014552
"83773"	887.786124	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M-H"	-1.007276
"522238"	1332.182824	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M-H"	-1.007276
"908801"	443.389424	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-H"	-1.007276
"60638"	904.812671	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M-2H+NH4"	16.019271
"501533"	1349.209371	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M-2H+NH4"	16.019271
"877145"	460.415971	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-2H+NH4"	16.019271
"45049"	909.768066	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M-2H+Na"	20.974666
"483636"	1354.164766	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M-2H+Na"	20.974666
"858157"	465.371366	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-2H+Na"	20.974666
"1628782"	465.371366	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Na-2H"	20.974666
"109404"	461.377763	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M-H+Cl"	33.962126
"547909"	683.576113	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M-H+Cl"	33.962126
"938385"	239.179413	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-H+Cl"	33.962126
"276942"	923.762802	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+Cl"	34.969402
"671550"	1368.159502	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+Cl"	34.969402
"1286141"	479.366102	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Cl"	34.969402
"25418"	925.742006	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M-2H+K"	36.948606
"464976"	1370.138706	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M-2H+K"	36.948606
"836216"	481.345306	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-2H+K"	36.948606
"1559703"	481.345306	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+K-2H"	36.948606
"948680"	489.394894	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-H+HCOOH"	44.998194
"367260"	933.791601	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+HCOOH-H"	44.998201
"352967"	947.807251	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+Hac-H"	59.013851
"1497059"	503.410551	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Hac-H"	59.013851
"962048"	511.376851	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-H+NaCOOH"	66.980151
"116059"	479.366102	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+2Cl"	69.938804
"552336"	701.564452	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+2Cl"	69.938804
"1021657"	257.167752	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2Cl"	69.938804
"1248382"	523.315585	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Br"	78.918885
"1310832"	525.371572	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Cl+HCOOH"	80.974872
"1333796"	547.353529	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Cl+NaCOOH"	102.956829
"922666"	557.382286	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M-H+CF3COOH"	112.985586
"1298280"	593.358964	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Cl+CF3COOH"	148.962264
"1379723"	409.384024	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H-2H2O"	-35.012676
"1383731"	427.394	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H-H2O"	-17.0027
"293624"	889.800676	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+H"	1.007276
"688234"	1334.197376	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+H"	1.007276
"1362394"	445.403976	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H"	1.007276
"138564"	445.403976	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+2H"	2.014552
"580312"	667.602326	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+2H"	2.014552
"1049112"	223.205626	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2H"	2.014552
"217013"	297.271742666667	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+3H"	3.021828
"655480"	445.403976	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+3H"	3.021828
"1174697"	149.139509333333	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+3H"	3.021828
"435784"	906.827223	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+NH4"	18.033823
"796779"	1351.223923	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+NH4"	18.033823
"1694203"	462.430523	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+NH4"	18.033823
"344305"	453.9172495	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+H+NH4"	19.041099
"730534"	676.1155995	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+H+NH4"	19.041099
"1479978"	231.7188995	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H+NH4"	19.041099
"398656"	911.782618	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+Na"	22.989218
"764024"	1356.179318	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+Na"	22.989218
"1608845"	467.385918	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Na"	22.989218
"318884"	456.394947	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+H+Na"	23.996494
"714585"	678.593297	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+H+Na"	23.996494
"1469499"	234.196597	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H+Na"	23.996494
"1058372"	156.466823333333	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2H+Na"	25.00377
"1266612"	477.430186	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+CH3OH+H"	33.033486
"389560"	927.756558	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+K"	38.963158
"751649"	1372.153258	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+K"	38.963158
"1546047"	483.359858	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+K"	38.963158
"304316"	464.381917	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+H+K"	39.970434
"693453"	686.580267	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+H+K"	39.970434
"1450557"	242.183567	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H+K"	39.970434
"245719"	930.827226	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+ACN+H"	42.033826
"1212596"	486.430526	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+ACN+H"	42.033826
"1198299"	243.718901	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+ACN+2H"	43.041102
"189473"	933.76456	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+2Na-H"	44.97116
"631471"	1378.16126	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+2Na-H"	44.97116
"1139352"	489.36786	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2Na-H"	44.97116
"181551"	467.385918	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+2Na"	45.978436
"621477"	689.584268	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+2Na"	45.978436
"1124254"	245.187568	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2Na"	45.978436
"1405226"	163.794137333333	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H+2Na"	46.985712
"1441352"	491.409446	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H+HCOOH"	47.012746
"227766"	472.41894	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+3H2O+2H"	56.04448
"1512548"	505.46149	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+IsoProp+H"	61.06479
"423827"	475.372888	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+Na+K"	61.952376
"783084"	697.571238	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+Na+K"	61.952376
"1679779"	253.174538	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Na+K"	61.952376
"266869"	952.809168	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+ACN+Na"	64.015768
"1241072"	508.412468	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+ACN+Na"	64.015768
"1726431"	508.435993	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+NH4+HCOOH"	64.039293
"1192878"	171.121451333333	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+3Na"	68.967654
"1661677"	513.391388	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Na+HCOOH"	68.994688
"166350"	965.71244	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+2K-H"	76.91904
"600443"	1410.10914	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+2K-H"	76.91904
"1088972"	521.31574	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2K-H"	76.91904
"144694"	483.359858	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"2M+2K"	77.926316
"583647"	705.558208	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"3M+2K"	77.926316
"1077525"	261.161508	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2K"	77.926316
"1110731"	523.330292	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2K+H"	78.933592
"1346758"	523.417907	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+DMSO+H"	79.021207
"1012731"	527.457076	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2ACN+H"	83.060376
"1531956"	528.450708	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+IsoProp+Na+H"	84.054008
"998401"	264.232176	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+2ACN+2H"	84.067652
"1598372"	529.365328	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+K+HCOOH"	84.968628
"1425123"	559.396838	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+H+CF3COOH"	115.000138
"1160882"	284.745451	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+3ACN+2H"	125.094202
"1709340"	576.423385	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+NH4+CF3COOH"	132.026685
"1640615"	581.37878	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+Na+CF3COOH"	136.98208
"1581733"	597.35272	"C19828"	"Arabidiol;(13R14R17E)-Malabarica-1721-diene-3beta14-diol"	"C30H52O2"	"444.3967"	"M+K+CF3COOH"	152.95602
"802256"	444.3967	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M"	0
"979069"	425.37831	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-H2O-H"	-19.01839
"65123"	295.257190666667	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M-3H"	-3.021828
"512340"	443.389424	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M-3H"	-3.021828
"885767"	147.124957333333	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-3H"	-3.021828
"3250"	443.389424	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M-2H"	-2.014552
"443903"	665.587774	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M-2H"	-2.014552
"820612"	221.191074	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-2H"	-2.014552
"82790"	887.786124	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M-H"	-1.007276
"519554"	1332.182824	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M-H"	-1.007276
"896016"	443.389424	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-H"	-1.007276
"62211"	904.812671	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M-2H+NH4"	16.019271
"502335"	1349.209371	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M-2H+NH4"	16.019271
"876282"	460.415971	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-2H+NH4"	16.019271
"46456"	909.768066	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M-2H+Na"	20.974666
"483746"	1354.164766	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M-2H+Na"	20.974666
"859363"	465.371366	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-2H+Na"	20.974666
"1632902"	465.371366	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Na-2H"	20.974666
"109309"	461.377763	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M-H+Cl"	33.962126
"547167"	683.576113	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M-H+Cl"	33.962126
"940318"	239.179413	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-H+Cl"	33.962126
"278145"	923.762802	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+Cl"	34.969402
"673725"	1368.159502	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+Cl"	34.969402
"1287222"	479.366102	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Cl"	34.969402
"27710"	925.742006	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M-2H+K"	36.948606
"468364"	1370.138706	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M-2H+K"	36.948606
"834506"	481.345306	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-2H+K"	36.948606
"1557988"	481.345306	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+K-2H"	36.948606
"948789"	489.394894	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-H+HCOOH"	44.998194
"363726"	933.791601	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+HCOOH-H"	44.998201
"349795"	947.807251	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+Hac-H"	59.013851
"1495347"	503.410551	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Hac-H"	59.013851
"959971"	511.376851	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-H+NaCOOH"	66.980151
"113982"	479.366102	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+2Cl"	69.938804
"550624"	701.564452	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+2Cl"	69.938804
"1021538"	257.167752	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2Cl"	69.938804
"1248493"	523.315585	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Br"	78.918885
"1309849"	525.371572	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Cl+HCOOH"	80.974872
"1328438"	547.353529	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Cl+NaCOOH"	102.956829
"919496"	557.382286	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M-H+CF3COOH"	112.985586
"1291100"	593.358964	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Cl+CF3COOH"	148.962264
"1377646"	409.384024	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H-2H2O"	-35.012676
"1383841"	427.394	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H-H2O"	-17.0027
"291548"	889.800676	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+H"	1.007276
"686158"	1334.197376	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+H"	1.007276
"1359225"	445.403976	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H"	1.007276
"135394"	445.403976	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+2H"	2.014552
"577508"	667.602326	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+2H"	2.014552
"1047035"	223.205626	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2H"	2.014552
"214936"	297.271742666667	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+3H"	3.021828
"652310"	445.403976	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+3H"	3.021828
"1172621"	149.139509333333	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+3H"	3.021828
"434802"	906.827223	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+NH4"	18.033823
"795796"	1351.223923	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+NH4"	18.033823
"1693220"	462.430523	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+NH4"	18.033823
"342595"	453.9172495	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+H+NH4"	19.041099
"730644"	676.1155995	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+H+NH4"	19.041099
"1480088"	231.7188995	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H+NH4"	19.041099
"396579"	911.782618	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+Na"	22.989218
"765228"	1356.179318	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+Na"	22.989218
"1608954"	467.385918	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Na"	22.989218
"320087"	456.394947	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+H+Na"	23.996494
"714695"	678.593297	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+H+Na"	23.996494
"1469609"	234.196597	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H+Na"	23.996494
"1056660"	156.466823333333	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2H+Na"	25.00377
"1263442"	477.430186	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+CH3OH+H"	33.033486
"388577"	927.756558	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+K"	38.963158
"748479"	1372.153258	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+K"	38.963158
"1545063"	483.359858	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+K"	38.963158
"303331"	464.381917	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+H+K"	39.970434
"695023"	686.580267	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+H+K"	39.970434
"1449574"	242.183567	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H+K"	39.970434
"244735"	930.827226	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+ACN+H"	42.033826
"1213434"	486.430526	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+ACN+H"	42.033826
"1196586"	243.718901	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+ACN+2H"	43.041102
"189704"	933.76456	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+2Na-H"	44.97116
"631580"	1378.16126	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+2Na-H"	44.97116
"1139462"	489.36786	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2Na-H"	44.97116
"179474"	467.385918	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+2Na"	45.978436
"619764"	689.584268	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+2Na"	45.978436
"1123270"	245.187568	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2Na"	45.978436
"1401327"	163.794137333333	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H+2Na"	46.985712
"1437088"	491.409446	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H+HCOOH"	47.012746
"222773"	472.41894	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+3H2O+2H"	56.04448
"1510835"	505.46149	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+IsoProp+H"	61.06479
"421101"	475.372888	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+Na+K"	61.952376
"785134"	697.571238	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+Na+K"	61.952376
"1679159"	253.174538	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Na+K"	61.952376
"266286"	952.809168	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+ACN+Na"	64.015768
"1241187"	508.412468	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+ACN+Na"	64.015768
"1726541"	508.435993	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+NH4+HCOOH"	64.039293
"1193597"	171.121451333333	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+3Na"	68.967654
"1661786"	513.391388	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Na+HCOOH"	68.994688
"166460"	965.71244	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+2K-H"	76.91904
"598730"	1410.10914	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+2K-H"	76.91904
"1089438"	521.31574	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2K-H"	76.91904
"144439"	483.359858	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"2M+2K"	77.926316
"583636"	705.558208	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"3M+2K"	77.926316
"1076906"	261.161508	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2K"	77.926316
"1107926"	523.330292	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2K+H"	78.933592
"1348689"	523.417907	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+DMSO+H"	79.021207
"1012841"	527.457076	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2ACN+H"	83.060376
"1534251"	528.450708	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+IsoProp+Na+H"	84.054008
"998511"	264.232176	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+2ACN+2H"	84.067652
"1599574"	529.365328	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+K+HCOOH"	84.968628
"1425233"	559.396838	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+H+CF3COOH"	115.000138
"1160992"	284.745451	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+3ACN+2H"	125.094202
"1710543"	576.423385	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+NH4+CF3COOH"	132.026685
"1640725"	581.37878	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+Na+CF3COOH"	136.98208
"1581843"	597.35272	"C19829"	"Dammarenediol II;(20S)-Dammar-24-ene-3beta20-diol;Dammar-24-ene-3beta20-diol"	"C30H52O2"	"444.3967"	"M+K+CF3COOH"	152.95602
"803459"	155.0582	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M"	0
"979179"	136.03981	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-H2O-H"	-19.01839
"65233"	102.364857333333	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M-3H"	-3.021828
"512450"	154.050924	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M-3H"	-3.021828
"884784"	50.6787906666667	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-3H"	-3.021828
"3360"	154.050924	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M-2H"	-2.014552
"441826"	231.580024	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M-2H"	-2.014552
"820722"	76.521824	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-2H"	-2.014552
"82900"	309.109124	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M-H"	-1.007276
"520272"	464.167324	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M-H"	-1.007276
"897343"	154.050924	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-H"	-1.007276
"62437"	326.135671	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M-2H+NH4"	16.019271
"499685"	481.193871	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M-2H+NH4"	16.019271
"874204"	171.077471	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-2H+NH4"	16.019271
"46482"	331.091066	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M-2H+Na"	20.974666
"485681"	486.149266	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M-2H+Na"	20.974666
"859473"	176.032866	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-2H+Na"	20.974666
"1632284"	176.032866	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Na-2H"	20.974666
"107718"	172.039263	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M-H+Cl"	33.962126
"548737"	249.568363	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M-H+Cl"	33.962126
"941156"	94.510163	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-H+Cl"	33.962126
"276068"	345.085802	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+Cl"	34.969402
"674930"	500.144002	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+Cl"	34.969402
"1287090"	190.027602	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Cl"	34.969402
"27821"	347.065006	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M-2H+K"	36.948606
"465195"	502.123206	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M-2H+K"	36.948606
"834251"	192.006806	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-2H+K"	36.948606
"1556279"	192.006806	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+K-2H"	36.948606
"947807"	200.056394	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-H+HCOOH"	44.998194
"364200"	355.114601	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+HCOOH-H"	44.998201
"352092"	369.130251	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+Hac-H"	59.013851
"1496553"	214.072051	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Hac-H"	59.013851
"961178"	222.038351	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-H+NaCOOH"	66.980151
"113728"	190.027602	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+2Cl"	69.938804
"551464"	267.556702	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+2Cl"	69.938804
"1021446"	112.498502	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2Cl"	69.938804
"1244947"	233.977085	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Br"	78.918885
"1313239"	236.033072	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Cl+HCOOH"	80.974872
"1328548"	258.015029	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Cl+NaCOOH"	102.956829
"920699"	268.043786	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M-H+CF3COOH"	112.985586
"1291210"	304.020464	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Cl+CF3COOH"	148.962264
"1378849"	120.045524	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H-2H2O"	-35.012676
"1383019"	138.0555	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H-H2O"	-17.0027
"297126"	311.123676	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+H"	1.007276
"685174"	466.181876	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+H"	1.007276
"1359335"	156.065476	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H"	1.007276
"135504"	156.065476	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+2H"	2.014552
"577982"	233.594576	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+2H"	2.014552
"1044957"	78.536376	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2H"	2.014552
"215046"	104.379409333333	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+3H"	3.021828
"653514"	156.065476	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+3H"	3.021828
"1172733"	52.6933426666667	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+3H"	3.021828
"438194"	328.150223	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+NH4"	18.033823
"795906"	483.208423	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+NH4"	18.033823
"1695396"	173.092023	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+NH4"	18.033823
"341975"	164.5787495	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+H+NH4"	19.041099
"731847"	242.1078495	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+H+NH4"	19.041099
"1484571"	87.0496495	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H+NH4"	19.041099
"399971"	333.105618	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+Na"	22.989218
"762058"	488.163818	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+Na"	22.989218
"1611250"	178.047418	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Na"	22.989218
"319104"	167.056447	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+H+Na"	23.996494
"713712"	244.585547	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+H+Na"	23.996494
"1470813"	89.527347	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H+Na"	23.996494
"1059687"	60.0206566666667	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2H+Na"	25.00377
"1265740"	188.091686	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+CH3OH+H"	33.033486
"386501"	349.079558	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+K"	38.963158
"747496"	504.137758	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+K"	38.963158
"1548453"	194.021358	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+K"	38.963158
"304535"	175.043417	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+H+K"	39.970434
"693675"	252.572517	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+H+K"	39.970434
"1450776"	97.514317	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H+K"	39.970434
"247032"	352.150226	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+ACN+H"	42.033826
"1217554"	197.092026	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+ACN+H"	42.033826
"1195967"	99.049651	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+ACN+2H"	43.041102
"191026"	355.08756	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+2Na-H"	44.97116
"632784"	510.14576	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+2Na-H"	44.97116
"1136292"	200.02936	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2Na-H"	44.97116
"178491"	178.047418	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+2Na"	45.978436
"622426"	255.576518	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+2Na"	45.978436
"1123016"	100.518318	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2Na"	45.978436
"1404353"	67.3479706666667	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H+2Na"	46.985712
"1436469"	202.070946	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H+HCOOH"	47.012746
"222883"	183.08044	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+3H2O+2H"	56.04448
"1510945"	216.12299	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+IsoProp+H"	61.06479
"421211"	186.034388	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+Na+K"	61.952376
"784398"	263.563488	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+Na+K"	61.952376
"1677447"	108.505288	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Na+K"	61.952376
"265668"	374.132168	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+ACN+Na"	64.015768
"1240564"	219.073968	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+ACN+Na"	64.015768
"1727380"	219.097493	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+NH4+HCOOH"	64.039293
"1192370"	74.6752846666667	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+3Na"	68.967654
"1658616"	224.052888	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Na+HCOOH"	68.994688
"166570"	387.03544	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+2K-H"	76.91904
"603943"	542.09364	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+2K-H"	76.91904
"1091735"	231.97724	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2K-H"	76.91904
"147458"	194.021358	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"2M+2K"	77.926316
"596742"	271.550458	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"3M+2K"	77.926316
"1075911"	116.492258	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2K"	77.926316
"1109858"	233.991792	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2K+H"	78.933592
"1348799"	234.079407	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+DMSO+H"	79.021207
"1012951"	238.118576	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2ACN+H"	83.060376
"1537641"	239.112208	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+IsoProp+Na+H"	84.054008
"999715"	119.562926	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+2ACN+2H"	84.067652
"1598592"	240.026828	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+K+HCOOH"	84.968628
"1425343"	270.058338	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+H+CF3COOH"	115.000138
"1158917"	140.076201	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+3ACN+2H"	125.094202
"1709561"	287.084885	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+NH4+CF3COOH"	132.026685
"1641928"	292.04028	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+Na+CF3COOH"	136.98208
"1581953"	308.01422	"C19830"	"(5S6S)-6-Amino-5-hydroxycyclohexa-13-diene-1-carboxyate;trans-23-Dihydro-3-hydroxyanthranilate;trans-23-Dihydro-3-hydroxyanthranilic acid;DHHA"	"C7H9NO3"	"155.0582"	"M+K+CF3COOH"	152.95602
"802476"	155.0582	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M"	0
"982569"	136.03981	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M-H2O-H"	-19.01839
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"1003105"	119.562926	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M+2ACN+2H"	84.067652
"1597609"	240.026828	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M+K+HCOOH"	84.968628
"1425453"	270.058338	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M+H+CF3COOH"	115.000138
"1159027"	140.076201	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M+3ACN+2H"	125.094202
"1710764"	287.084885	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M+NH4+CF3COOH"	132.026685
"1642038"	292.04028	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M+Na+CF3COOH"	136.98208
"1582063"	308.01422	"C19831"	"(1R6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	"C7H9NO3"	"155.0582"	"M+K+CF3COOH"	152.95602
"802586"	426.3862	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M"	0
"976119"	407.36781	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"64359"	283.250190666667	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510483"	425.378924	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"886097"	141.121457333333	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"3580"	425.378924	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"444234"	638.572024	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"824223"	212.185824	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"83120"	851.765124	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"520734"	1278.151324	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"897564"	425.378924	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"61928"	868.791671	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"501243"	1295.177871	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"875516"	442.405471	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"45492"	873.747066	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"484931"	1300.133266	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"861516"	447.360866	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1632386"	447.360866	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"108551"	443.367263	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549081"	656.560363	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"941013"	230.174163	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"273010"	887.741802	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"674671"	1314.128002	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287921"	461.355602	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"29134"	889.721006	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"464322"	1316.107206	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"838849"	463.334806	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1564523"	463.334806	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"952404"	471.384394	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"371712"	897.770601	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"354503"	911.786251	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1493858"	485.400051	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"962487"	493.366351	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"112491"	461.355602	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"550833"	674.548702	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1023763"	248.162502	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1243708"	505.305085	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1313459"	507.361072	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1327674"	529.343029	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"911682"	539.371786	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1291065"	575.348464	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1379070"	391.373524	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1393286"	409.3835	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"288599"	853.779676	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"685393"	1280.165876	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1358462"	427.393476	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"134630"	427.393476	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"577472"	640.586576	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1045177"	214.200376	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"217453"	285.264742666667	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"655922"	427.393476	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1172953"	143.136009333333	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"432946"	870.806223	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"800015"	1297.192423	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1693550"	444.420023	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"341831"	435.9067495	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"735349"	649.0998495	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1484794"	222.7136495	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"402377"	875.761618	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"761184"	1302.147818	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1609285"	449.375418	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"321511"	438.384447	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"715026"	651.577547	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1467752"	225.191347	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1058812"	150.463323333333	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1265956"	459.419686	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"383438"	891.735558	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"746621"	1318.121758	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1542111"	465.349358	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"300016"	446.371417	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"693168"	659.564517	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1448079"	233.178317	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"239597"	894.806226	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1212305"	468.420026	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1195699"	234.713651	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"192703"	897.74356	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"633005"	1324.12976	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1136512"	471.35736	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"179804"	449.375418	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"619002"	662.568518	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1121050"	236.182318	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1406398"	157.790637333333	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1432315"	473.398946	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"223105"	454.40844	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1510437"	487.45099	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"414142"	457.362388	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"776958"	670.555488	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1678758"	244.169288	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"263091"	916.788168	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1240983"	490.401968	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1724684"	490.425493	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1187851"	165.117951333333	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1658836"	495.380888	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"170071"	929.69144	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"607444"	1356.07764	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1089772"	503.30524	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"146587"	465.349358	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"588333"	678.542458	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1073941"	252.156258	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1104962"	505.319792	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1340265"	505.407407	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1006725"	509.446576	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1539527"	510.440208	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1004311"	255.226926	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1598812"	511.354828	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1425563"	541.386338	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1162055"	275.740201	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1712656"	558.412885	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1642148"	563.36828	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1582173"	579.34222	"C19832"	"Thalianol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"803789"	426.3862	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M"	0
"977322"	407.36781	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"64469"	283.250190666667	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"509500"	425.378924	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"885113"	141.121457333333	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"4783"	425.378924	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"444344"	638.572024	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"823240"	212.185824	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"82137"	851.765124	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"522789"	1278.151324	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"898402"	425.378924	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"61551"	868.791671	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"501597"	1295.177871	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"878421"	442.405471	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"45960"	873.747066	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"485282"	1300.133266	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"862352"	447.360866	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1632858"	447.360866	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"109551"	443.367263	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549229"	656.560363	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"938932"	230.174163	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"273120"	887.741802	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"675139"	1314.128002	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1288152"	461.355602	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"27056"	889.721006	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"464432"	1316.107206	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"838959"	463.334806	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1563540"	463.334806	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"945955"	471.384394	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"365264"	897.770601	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"346591"	911.786251	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1493603"	485.400051	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"960775"	493.366351	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"111262"	461.355602	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"550576"	674.548702	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1024236"	248.162502	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1243819"	505.305085	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1311381"	507.361072	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1324504"	529.343029	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"912643"	539.371786	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1290444"	575.348464	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1373712"	391.373524	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1393396"	409.3835	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"290895"	853.779676	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"684409"	1280.165876	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1359664"	427.393476	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"135834"	427.393476	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"578675"	640.586576	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1048567"	214.200376	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"217199"	285.264742666667	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"656760"	427.393476	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1171967"	143.136009333333	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"435242"	870.806223	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"798423"	1297.192423	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1695120"	444.420023	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"343031"	435.9067495	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"727802"	649.0998495	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1484899"	222.7136495	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"398112"	875.761618	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"764574"	1302.147818	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1607208"	449.375418	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"318339"	438.384447	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"711856"	651.577547	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1467864"	225.191347	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1060016"	150.463323333333	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1261694"	459.419686	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"380268"	891.735558	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"744545"	1318.121758	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1541615"	465.349358	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"299884"	446.371417	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"692550"	659.564517	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1447826"	233.178317	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"236427"	894.806226	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1210228"	468.420026	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1195324"	234.713651	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"191721"	897.74356	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"632018"	1324.12976	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1132113"	471.35736	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"176631"	449.375418	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"617283"	662.568518	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1122251"	236.182318	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1404321"	157.790637333333	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1431817"	473.398946	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"225038"	454.40844	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1510547"	487.45099	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"417168"	457.362388	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"777068"	670.555488	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1678868"	244.169288	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"263201"	916.788168	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1240405"	490.401968	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1723700"	490.425493	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1184681"	165.117951333333	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1658946"	495.380888	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"170181"	929.69144	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"610835"	1356.07764	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1095348"	503.30524	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"145604"	465.349358	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"589536"	678.542458	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1071498"	252.156258	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1105071"	505.319792	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1340375"	505.407407	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1006716"	509.446576	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1539798"	510.440208	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1004664"	255.226926	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1600015"	511.354828	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1422393"	541.386338	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1162531"	275.740201	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1712582"	558.412885	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1641165"	563.36828	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1582283"	579.34222	"C19833"	"Germanicol;(3beta)-Olean-18-en-3-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"809370"	410.3913	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M"	0
"979621"	391.37291	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-H2O-H"	-19.01839
"68956"	272.586924	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M-3H"	-3.021828
"509610"	409.384024	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M-3H"	-3.021828
"882672"	135.789824	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-3H"	-3.021828
"4893"	409.384024	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M-2H"	-2.014552
"443366"	614.579674	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M-2H"	-2.014552
"824447"	204.188374	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-2H"	-2.014552
"84437"	819.775324	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M-H"	-1.007276
"526182"	1230.166624	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M-H"	-1.007276
"896811"	409.384024	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-H"	-1.007276
"62270"	836.801871	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M-2H+NH4"	16.019271
"502072"	1247.193171	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M-2H+NH4"	16.019271
"878900"	426.410571	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-2H+NH4"	16.019271
"46072"	841.757266	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M-2H+Na"	20.974666
"486818"	1252.148566	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M-2H+Na"	20.974666
"863682"	431.365966	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-2H+Na"	20.974666
"1632360"	431.365966	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Na-2H"	20.974666
"108892"	427.372363	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M-H+Cl"	33.962126
"549858"	632.568013	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M-H+Cl"	33.962126
"942206"	222.176713	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-H+Cl"	33.962126
"281734"	855.752002	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+Cl"	34.969402
"673306"	1266.143302	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+Cl"	34.969402
"1287653"	445.360702	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Cl"	34.969402
"31183"	857.731206	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M-2H+K"	36.948606
"470902"	1268.122506	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M-2H+K"	36.948606
"844533"	447.339906	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-2H+K"	36.948606
"1568022"	447.339906	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+K-2H"	36.948606
"950438"	455.389494	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-H+HCOOH"	44.998194
"370842"	865.780801	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+HCOOH-H"	44.998201
"347071"	879.796451	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+Hac-H"	59.013851
"1499182"	469.405151	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Hac-H"	59.013851
"960155"	477.371451	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-H+NaCOOH"	66.980151
"112100"	445.360702	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+2Cl"	69.938804
"550688"	650.556352	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+2Cl"	69.938804
"1023253"	240.165052	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2Cl"	69.938804
"1242834"	489.310185	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Br"	78.918885
"1310398"	491.366172	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Cl+HCOOH"	80.974872
"1330083"	513.348129	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Cl+NaCOOH"	102.956829
"920047"	523.376886	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M-H+CF3COOH"	112.985586
"1294568"	559.353564	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Cl+CF3COOH"	148.962264
"1377104"	375.378624	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H-2H2O"	-35.012676
"1393506"	393.3886	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H-H2O"	-17.0027
"294287"	821.789876	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+H"	1.007276
"682336"	1232.181176	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+H"	1.007276
"1359777"	411.398576	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H"	1.007276
"133758"	411.398576	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+2H"	2.014552
"575503"	616.594226	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+2H"	2.014552
"1047585"	206.202926	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2H"	2.014552
"214391"	274.601476	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+3H"	3.021828
"659057"	411.398576	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+3H"	3.021828
"1177183"	137.804376	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+3H"	3.021828
"436445"	838.816423	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+NH4"	18.033823
"798533"	1249.207723	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+NH4"	18.033823
"1694864"	428.425123	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+NH4"	18.033823
"344238"	419.9118495	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+H+NH4"	19.041099
"736299"	625.1074995	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+H+NH4"	19.041099
"1489388"	214.7161995	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H+NH4"	19.041099
"403693"	843.771818	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+Na"	22.989218
"765781"	1254.163118	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+Na"	22.989218
"1614975"	433.380518	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Na"	22.989218
"327202"	422.389547	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+H+Na"	23.996494
"717435"	627.585197	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+H+Na"	23.996494
"1466881"	217.193897	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H+Na"	23.996494
"1057938"	145.13169	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2H+Na"	25.00377
"1263991"	443.424786	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+CH3OH+H"	33.033486
"381474"	859.745758	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+K"	38.963158
"744654"	1270.137058	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+K"	38.963158
"1544520"	449.354458	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+K"	38.963158
"302789"	430.376517	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+H+K"	39.970434
"693752"	635.572167	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+H+K"	39.970434
"1448301"	225.180867	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H+K"	39.970434
"238726"	862.816426	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+ACN+H"	42.033826
"1213620"	452.425126	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+ACN+H"	42.033826
"1195680"	226.716201	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+ACN+2H"	43.041102
"190739"	865.75376	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+2Na-H"	44.97116
"629211"	1276.14506	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+2Na-H"	44.97116
"1131451"	455.36246	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2Na-H"	44.97116
"180020"	433.380518	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+2Na"	45.978436
"619584"	638.576168	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+2Na"	45.978436
"1121997"	228.184868	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2Na"	45.978436
"1408807"	152.459004	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H+2Na"	46.985712
"1436546"	457.404046	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H+HCOOH"	47.012746
"228429"	438.41354	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+3H2O+2H"	56.04448
"1512117"	471.45609	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+IsoProp+H"	61.06479
"411073"	441.367488	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+Na+K"	61.952376
"776082"	646.563138	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+Na+K"	61.952376
"1670223"	236.171838	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Na+K"	61.952376
"257839"	884.798368	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+ACN+Na"	64.015768
"1232734"	474.407068	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+ACN+Na"	64.015768
"1721619"	474.430593	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+NH4+HCOOH"	64.039293
"1189164"	159.786318	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+3Na"	68.967654
"1661244"	479.385988	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Na+HCOOH"	68.994688
"169198"	897.70164	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+2K-H"	76.91904
"603290"	1308.09294	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+2K-H"	76.91904
"1093272"	487.31034	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2K-H"	76.91904
"148994"	449.354458	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"2M+2K"	77.926316
"588553"	654.550108	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"3M+2K"	77.926316
"1070272"	244.158808	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2K"	77.926316
"1103362"	489.324892	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2K+H"	78.933592
"1337325"	489.412507	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+DMSO+H"	79.021207
"1012297"	493.451676	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2ACN+H"	83.060376
"1536989"	494.445308	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+IsoProp+Na+H"	84.054008
"1004774"	247.229476	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+2ACN+2H"	84.067652
"1599032"	495.359928	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+K+HCOOH"	84.968628
"1419222"	525.391438	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+H+CF3COOH"	115.000138
"1162680"	267.742751	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+3ACN+2H"	125.094202
"1705625"	542.417985	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+NH4+CF3COOH"	132.026685
"1639087"	547.37338	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+Na+CF3COOH"	136.98208
"1582393"	563.34732	"C19834"	"Dammara-2024-diene;Dammara-18(28)21-diene"	"C30H50"	"410.3913"	"M+K+CF3COOH"	152.95602
"803280"	426.3862	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M"	0
"983011"	407.36781	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"67972"	283.250190666667	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"509720"	425.378924	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"885334"	141.121457333333	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"5004"	425.378924	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"443474"	638.572024	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"818360"	212.185824	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"85641"	851.765124	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"523012"	1278.151324	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"897894"	425.378924	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"61524"	868.791671	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"502426"	1295.177871	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"876942"	442.405471	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"43749"	873.747066	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"483312"	1300.133266	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"861112"	447.360866	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1633930"	447.360866	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"109808"	443.367263	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"548799"	656.560363	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"940248"	230.174163	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"281843"	887.741802	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"674874"	1314.128002	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287154"	461.355602	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30561"	889.721006	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"469024"	1316.107206	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"844642"	463.334806	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1570975"	463.334806	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"956014"	471.384394	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"373137"	897.770601	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"352649"	911.786251	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1493826"	485.400051	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"959543"	493.366351	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"111243"	461.355602	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"552016"	674.548702	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1021661"	248.162502	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1242943"	505.305085	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1308684"	507.361072	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1328006"	529.343029	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"917241"	539.371786	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1289088"	575.348464	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1373934"	391.373524	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1390337"	409.3835	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"295492"	853.779676	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"683539"	1280.165876	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1362074"	427.393476	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H"	1.007276
"136055"	427.393476	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"577800"	640.586576	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1046601"	214.200376	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"214501"	285.264742666667	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"658438"	427.393476	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1175469"	143.136009333333	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"435462"	870.806223	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"798645"	1297.192423	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1696190"	444.420023	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"343982"	435.9067495	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"737259"	649.0998495	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1488405"	222.7136495	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"403803"	875.761618	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"762611"	1302.147818	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1615086"	449.375418	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"327312"	438.384447	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"715358"	651.577547	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1466990"	225.191347	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1059144"	150.463323333333	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1261915"	459.419686	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"379397"	891.735558	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"745860"	1318.121758	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1540988"	465.349358	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+K"	38.963158
"302172"	446.371417	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"692404"	659.564517	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1446590"	233.178317	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"236651"	894.806226	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1210693"	468.420026	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1195787"	234.713651	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"190120"	897.74356	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"629322"	1324.12976	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1131384"	471.35736	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"177213"	449.375418	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"619693"	662.568518	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1122471"	236.182318	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1410010"	157.790637333333	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1436656"	473.398946	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"223068"	454.40844	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1511129"	487.45099	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"411182"	457.362388	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"774003"	670.555488	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1670333"	244.169288	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"260135"	916.788168	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1232844"	490.401968	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1719542"	490.425493	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1185989"	165.117951333333	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1661354"	495.380888	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"168215"	929.69144	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"604493"	1356.07764	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1088279"	503.30524	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"148011"	465.349358	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"585747"	678.542458	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1073180"	252.156258	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1103109"	505.319792	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1337435"	505.407407	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1011314"	509.446576	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1538802"	510.440208	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"1004763"	255.226926	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1599142"	511.354828	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1419332"	541.386338	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1162544"	275.740201	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1706828"	558.412885	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1635917"	563.36828	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1582503"	579.34222	"C19835"	"Camelliol C"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"803026"	450.1936	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M"	0
"983121"	431.17521	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H2O-H"	-19.01839
"68082"	299.121790666667	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-3H"	-3.021828
"510923"	449.186324	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-3H"	-3.021828
"884352"	149.057257333333	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-3H"	-3.021828
"4020"	449.186324	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H"	-2.014552
"441398"	674.283124	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H"	-2.014552
"818106"	224.089524	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H"	-2.014552
"82470"	899.379924	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H"	-1.007276
"523122"	1349.573524	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H"	-1.007276
"896181"	449.186324	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H"	-1.007276
"61392"	916.406471	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+NH4"	16.019271
"501439"	1366.600071	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+NH4"	16.019271
"874865"	466.212871	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+NH4"	16.019271
"42766"	921.361866	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+Na"	20.974666
"483057"	1371.555466	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+Na"	20.974666
"859765"	471.168266	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+Na"	20.974666
"1632215"	471.168266	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na-2H"	20.974666
"108015"	467.174663	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-H+Cl"	33.962126
"547574"	692.271463	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-H+Cl"	33.962126
"937077"	242.077863	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+Cl"	33.962126
"280373"	935.356602	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Cl"	34.969402
"671334"	1385.550202	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Cl"	34.969402
"1283737"	485.163002	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl"	34.969402
"30306"	937.335806	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M-2H+K"	36.948606
"466948"	1387.529406	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M-2H+K"	36.948606
"844752"	487.142206	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-2H+K"	36.948606
"1570066"	487.142206	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K-2H"	36.948606
"955030"	495.191794	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+HCOOH"	44.998194
"375433"	945.385401	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+HCOOH-H"	44.998201
"352758"	959.401051	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Hac-H"	59.013851
"1492767"	509.207451	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Hac-H"	59.013851
"958677"	517.173751	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+NaCOOH"	66.980151
"120223"	485.163002	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Cl"	69.938804
"551396"	710.259802	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Cl"	69.938804
"1022014"	260.066202	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Cl"	69.938804
"1243417"	529.112485	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Br"	78.918885
"1305514"	531.168472	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+HCOOH"	80.974872
"1329210"	553.150429	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+NaCOOH"	102.956829
"916987"	563.179186	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M-H+CF3COOH"	112.985586
"1291508"	599.155864	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Cl+CF3COOH"	148.962264
"1372951"	415.180924	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-2H2O"	-35.012676
"1390447"	433.1909	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H-H2O"	-17.0027
"292322"	901.394476	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H"	1.007276
"682556"	1351.588076	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H"	1.007276
"1362184"	451.200876	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H"	1.007276
"132886"	451.200876	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2H"	2.014552
"574632"	676.297676	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2H"	2.014552
"1046712"	226.104076	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H"	2.014552
"214611"	301.136342666667	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H"	3.021828
"658912"	451.200876	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+3H"	3.021828
"1175578"	151.071809333333	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3H"	3.021828
"436665"	918.421023	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+NH4"	18.033823
"798754"	1368.614623	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+NH4"	18.033823
"1693990"	468.227423	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4"	18.033823
"344092"	459.7141495	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+NH4"	19.041099
"732508"	684.8109495	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+NH4"	19.041099
"1485232"	234.6173495	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+NH4"	19.041099
"399536"	923.376418	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na"	22.989218
"756520"	1373.570018	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na"	22.989218
"1609723"	473.182818	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na"	22.989218
"319763"	462.191847	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+Na"	23.996494
"711096"	687.288647	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+Na"	23.996494
"1463821"	237.095047	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+Na"	23.996494
"1055245"	158.399123333333	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2H+Na"	25.00377
"1258746"	483.227086	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+CH3OH+H"	33.033486
"377681"	939.350358	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+K"	38.963158
"739531"	1389.543958	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+K"	38.963158
"1542557"	489.156758	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K"	38.963158
"299203"	470.178817	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+H+K"	39.970434
"692025"	695.275617	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+H+K"	39.970434
"1445845"	245.082017	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+K"	39.970434
"236394"	942.421026	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+H"	42.033826
"1210922"	492.227426	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+H"	42.033826
"1195900"	246.617351	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+2H"	43.041102
"190957"	945.35836	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na-H"	44.97116
"628861"	1395.55196	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na-H"	44.97116
"1131513"	495.16476	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na-H"	44.97116
"174772"	473.182818	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2Na"	45.978436
"616524"	698.279618	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2Na"	45.978436
"1118571"	248.086018	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2Na"	45.978436
"1410849"	165.726437333333	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+2Na"	46.985712
"1436766"	497.206346	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+HCOOH"	47.012746
"222086"	478.21584	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+3H2O+2H"	56.04448
"1510511"	511.25839	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+H"	61.06479
"411292"	481.169788	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+Na+K"	61.952376
"774473"	706.266588	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+Na+K"	61.952376
"1667526"	256.072988	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+K"	61.952376
"260245"	964.402968	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+ACN+Na"	64.015768
"1231860"	514.209368	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+ACN+Na"	64.015768
"1719652"	514.232893	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+HCOOH"	64.039293
"1186101"	173.053751333333	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3Na"	68.967654
"1664744"	519.188288	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+HCOOH"	68.994688
"167232"	977.30624	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K-H"	76.91904
"605696"	1427.49984	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K-H"	76.91904
"1091305"	527.11264	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K-H"	76.91904
"149214"	489.156758	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"2M+2K"	77.926316
"594119"	714.253558	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"3M+2K"	77.926316
"1069399"	264.059958	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K"	77.926316
"1104310"	529.127192	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2K+H"	78.933592
"1337544"	529.214807	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+DMSO+H"	79.021207
"1011424"	533.253976	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+H"	83.060376
"1539440"	534.247608	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+IsoProp+Na+H"	84.054008
"1005609"	267.130626	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+2ACN+2H"	84.067652
"1599252"	535.162228	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+HCOOH"	84.968628
"1419442"	565.193738	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+H+CF3COOH"	115.000138
"1160668"	287.643901	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+3ACN+2H"	125.094202
"1706938"	582.220285	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+NH4+CF3COOH"	132.026685
"1636027"	587.17568	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+Na+CF3COOH"	136.98208
"1582613"	603.14962	"C19836"	"Halima-5(6)13-dien-15-yl diphosphate;Tuberculosinyl diphosphate"	"C20H36O7P2"	"450.1936"	"M+K+CF3COOH"	152.95602
"803864"	161.0477	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M"	0
"983231"	142.02931	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-H2O-H"	-19.01839
"68192"	106.357857333333	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M-3H"	-3.021828
"512126"	160.040424	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M-3H"	-3.021828
"886648"	52.6752906666667	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-3H"	-3.021828
"5224"	160.040424	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M-2H"	-2.014552
"442602"	240.564274	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M-2H"	-2.014552
"818216"	79.516574	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-2H"	-2.014552
"84767"	321.088124	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M-H"	-1.007276
"524326"	482.135824	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M-H"	-1.007276
"896289"	160.040424	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-H"	-1.007276
"55416"	338.114671	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M-2H+NH4"	16.019271
"492789"	499.162371	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M-2H+NH4"	16.019271
"873882"	177.066971	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-2H+NH4"	16.019271
"42875"	343.070066	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M-2H+Na"	20.974666
"484260"	504.117766	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M-2H+Na"	20.974666
"860238"	182.022366	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-2H+Na"	20.974666
"1631229"	182.022366	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Na-2H"	20.974666
"108123"	178.028763	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M-H+Cl"	33.962126
"547682"	258.552613	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M-H+Cl"	33.962126
"937187"	97.504913	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-H+Cl"	33.962126
"279024"	357.064802	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+Cl"	34.969402
"670351"	518.112502	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+Cl"	34.969402
"1280567"	196.017102	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Cl"	34.969402
"21663"	359.044006	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M-2H+K"	36.948606
"465965"	520.091706	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M-2H+K"	36.948606
"840486"	197.996306	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-2H+K"	36.948606
"1561788"	197.996306	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+K-2H"	36.948606
"946392"	206.045894	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-H+HCOOH"	44.998194
"368981"	367.093601	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+HCOOH-H"	44.998201
"359429"	381.109251	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+Hac-H"	59.013851
"1501700"	220.061551	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Hac-H"	59.013851
"961586"	228.027851	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-H+NaCOOH"	66.980151
"115961"	196.017102	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+2Cl"	69.938804
"552603"	276.540952	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+2Cl"	69.938804
"1022855"	115.493252	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2Cl"	69.938804
"1242070"	239.966585	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Br"	78.918885
"1308538"	242.022572	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Cl+HCOOH"	80.974872
"1329320"	264.004529	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Cl+NaCOOH"	102.956829
"917097"	274.033286	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M-H+CF3COOH"	112.985586
"1291618"	310.009964	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Cl+CF3COOH"	148.962264
"1370874"	126.035024	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H-2H2O"	-35.012676
"1392744"	144.045	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H-H2O"	-17.0027
"292431"	323.102676	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+H"	1.007276
"684852"	484.150376	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+H"	1.007276
"1360107"	162.054976	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H"	1.007276
"131900"	162.054976	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+2H"	2.014552
"576927"	242.578826	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+2H"	2.014552
"1045729"	81.531126	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2H"	2.014552
"214722"	108.372409333333	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+3H"	3.021828
"658656"	162.054976	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+3H"	3.021828
"1174594"	54.6898426666667	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+3H"	3.021828
"438960"	340.129223	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+NH4"	18.033823
"801322"	501.176923	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+NH4"	18.033823
"1695193"	179.081523	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+NH4"	18.033823
"345176"	170.5682495	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+H+NH4"	19.041099
"733708"	251.0920995	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+H+NH4"	19.041099
"1487527"	90.0443995	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H+NH4"	19.041099
"407909"	345.084618	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+Na"	22.989218
"761733"	506.132318	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+Na"	22.989218
"1609832"	184.036918	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Na"	22.989218
"319871"	173.045947	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+H+Na"	23.996494
"711206"	253.569797	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+H+Na"	23.996494
"1462472"	92.522097	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H+Na"	23.996494
"1054991"	62.0171566666667	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2H+Na"	25.00377
"1258126"	194.081186	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+CH3OH+H"	33.033486
"379250"	361.058558	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+K"	38.963158
"739641"	522.106258	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+K"	38.963158
"1544854"	200.010858	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+K"	38.963158
"299842"	181.032917	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+H+K"	39.970434
"691855"	261.556767	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+H+K"	39.970434
"1446689"	100.509067	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H+K"	39.970434
"237113"	364.129226	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+ACN+H"	42.033826
"1210666"	203.081526	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+ACN+H"	42.033826
"1194920"	102.044401	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+ACN+2H"	43.041102
"190706"	367.06656	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+2Na-H"	44.97116
"629293"	528.11426	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+2Na-H"	44.97116
"1132107"	206.01886	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2Na-H"	44.97116
"173658"	184.036918	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+2Na"	45.978436
"617362"	264.560768	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+2Na"	45.978436
"1120140"	103.513068	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2Na"	45.978436
"1403666"	69.3444706666667	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H+2Na"	46.985712
"1439063"	208.060446	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H+HCOOH"	47.012746
"223290"	189.06994	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+3H2O+2H"	56.04448
"1512078"	222.11249	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+IsoProp+H"	61.06479
"413226"	192.023888	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+Na+K"	61.952376
"774220"	272.547738	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+Na+K"	61.952376
"1672739"	111.500038	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Na+K"	61.952376
"260355"	386.111168	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+ACN+Na"	64.015768
"1238531"	225.063468	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+ACN+Na"	64.015768
"1724136"	225.086993	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+NH4+HCOOH"	64.039293
"1188397"	76.6717846666667	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+3Na"	68.967654
"1658290"	230.042388	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Na+HCOOH"	68.994688
"169528"	399.01444	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+2K-H"	76.91904
"609086"	560.06214	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+2K-H"	76.91904
"1092507"	237.96674	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2K-H"	76.91904
"150417"	200.010858	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"2M+2K"	77.926316
"596176"	280.534708	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"3M+2K"	77.926316
"1069511"	119.487008	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2K"	77.926316
"1104420"	239.981292	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2K+H"	78.933592
"1336682"	240.068907	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+DMSO+H"	79.021207
"1011534"	244.108076	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2ACN+H"	83.060376
"1525282"	245.101708	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+IsoProp+Na+H"	84.054008
"1004254"	122.557676	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+2ACN+2H"	84.067652
"1599362"	246.016328	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+K+HCOOH"	84.968628
"1419552"	276.047838	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+H+CF3COOH"	115.000138
"1159685"	143.070951	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+3ACN+2H"	125.094202
"1704862"	293.074385	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+NH4+CF3COOH"	132.026685
"1635044"	298.02978	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+Na+CF3COOH"	136.98208
"1582723"	314.00372	"C19837"	"Indole-3-carboxylate;Indole-3-carboxylic acid"	"C9H7NO2"	"161.0477"	"M+K+CF3COOH"	152.95602
"804339"	149.0324	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M"	0
"983341"	130.01401	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H2O-H"	-19.01839
"72677"	98.3476573333333	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-3H"	-3.021828
"513330"	148.025124	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-3H"	-3.021828
"887853"	48.6701906666667	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-3H"	-3.021828
"6427"	148.025124	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H"	-2.014552
"443803"	222.541324	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H"	-2.014552
"820512"	73.508924	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H"	-2.014552
"85970"	297.057524	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-H"	-1.007276
"525529"	446.089924	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-H"	-1.007276
"897861"	148.025124	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H"	-1.007276
"53339"	314.084071	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H+NH4"	16.019271
"490712"	463.116471	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H+NH4"	16.019271
"875085"	165.051671	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H+NH4"	16.019271
"41891"	319.039466	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H+Na"	20.974666
"483277"	468.071866	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H+Na"	20.974666
"861078"	170.007066	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H+Na"	20.974666
"1625507"	170.007066	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na-2H"	20.974666
"106409"	166.013463	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-H+Cl"	33.962126
"544876"	240.529663	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-H+Cl"	33.962126
"935110"	91.497263	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+Cl"	33.962126
"278041"	333.034202	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Cl"	34.969402
"670461"	482.066602	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+Cl"	34.969402
"1280677"	184.001802	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl"	34.969402
"21773"	335.013406	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M-2H+K"	36.948606
"461699"	484.045806	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M-2H+K"	36.948606
"840596"	185.981006	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-2H+K"	36.948606
"1567367"	185.981006	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K-2H"	36.948606
"947593"	194.030594	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+HCOOH"	44.998194
"366905"	343.063001	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+HCOOH-H"	44.998201
"358445"	357.078651	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Hac-H"	59.013851
"1501810"	208.046251	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Hac-H"	59.013851
"960603"	216.012551	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+NaCOOH"	66.980151
"117164"	184.001802	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2Cl"	69.938804
"553443"	258.518002	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2Cl"	69.938804
"1022117"	109.485602	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2Cl"	69.938804
"1242545"	227.951285	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Br"	78.918885
"1306455"	230.007272	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl+HCOOH"	80.974872
"1329430"	251.989229	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl+NaCOOH"	102.956829
"917207"	262.017986	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M-H+CF3COOH"	112.985586
"1290633"	297.994664	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Cl+CF3COOH"	148.962264
"1370984"	114.019724	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H-2H2O"	-35.012676
"1392854"	132.0297	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H-H2O"	-17.0027
"294727"	299.072076	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H"	1.007276
"687149"	448.104476	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H"	1.007276
"1363497"	150.039676	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H"	1.007276
"135290"	150.039676	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2H"	2.014552
"580318"	224.555876	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2H"	2.014552
"1048025"	75.523476	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2H"	2.014552
"217019"	100.362209333333	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+3H"	3.021828
"657674"	150.039676	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+3H"	3.021828
"1177502"	50.6847426666667	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+3H"	3.021828
"437613"	316.098623	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+NH4"	18.033823
"800070"	465.131023	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+NH4"	18.033823
"1695304"	167.066223	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+NH4"	18.033823
"345410"	158.5529495	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H+NH4"	19.041099
"733818"	233.0691495	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H+NH4"	19.041099
"1486545"	84.0367495	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+NH4"	19.041099
"405223"	321.054018	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Na"	22.989218
"761845"	470.086418	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+Na"	22.989218
"1611036"	172.021618	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na"	22.989218
"322167"	161.030647	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H+Na"	23.996494
"715689"	235.546847	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H+Na"	23.996494
"1465136"	86.514447	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+Na"	23.996494
"1057288"	58.0120566666667	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2H+Na"	25.00377
"1259693"	182.065886	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+CH3OH+H"	33.033486
"377903"	337.027958	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+K"	38.963158
"740358"	486.060358	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+K"	38.963158
"1542775"	187.995558	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K"	38.963158
"300313"	169.017617	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+H+K"	39.970434
"691720"	243.533817	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+H+K"	39.970434
"1445946"	94.501417	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+K"	39.970434
"238075"	340.098626	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+ACN+H"	42.033826
"1211146"	191.066226	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+ACN+H"	42.033826
"1195393"	96.036751	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+ACN+2H"	43.041102
"190084"	343.03596	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2Na-H"	44.97116
"628754"	492.06836	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2Na-H"	44.97116
"1131814"	194.00356	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2Na-H"	44.97116
"173768"	172.021618	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2Na"	45.978436
"618566"	246.537818	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2Na"	45.978436
"1118061"	97.505418	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2Na"	45.978436
"1402683"	65.3393706666667	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+2Na"	46.985712
"1439173"	196.045146	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+HCOOH"	47.012746
"225586"	177.05464	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+3H2O+2H"	56.04448
"1511460"	210.09719	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+IsoProp+H"	61.06479
"413336"	180.008588	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+Na+K"	61.952376
"774330"	254.524788	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+Na+K"	61.952376
"1670660"	105.492388	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na+K"	61.952376
"253900"	362.080568	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+ACN+Na"	64.015768
"1237548"	213.048168	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+ACN+Na"	64.015768
"1722059"	213.071693	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+NH4+HCOOH"	64.039293
"1186319"	72.6666846666667	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+3Na"	68.967654
"1659492"	218.027088	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na+HCOOH"	68.994688
"169638"	374.98384	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2K-H"	76.91904
"609196"	524.01624	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2K-H"	76.91904
"1092617"	225.95144	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2K-H"	76.91904
"150527"	187.995558	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"2M+2K"	77.926316
"591179"	262.511758	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"3M+2K"	77.926316
"1069864"	113.479358	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2K"	77.926316
"1104530"	227.965992	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2K+H"	78.933592
"1340914"	228.053607	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+DMSO+H"	79.021207
"1010551"	232.092776	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2ACN+H"	83.060376
"1524903"	233.086408	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+IsoProp+Na+H"	84.054008
"1005377"	116.550026	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+2ACN+2H"	84.067652
"1592911"	234.001028	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K+HCOOH"	84.968628
"1421849"	264.032538	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+H+CF3COOH"	115.000138
"1159795"	137.063301	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+3ACN+2H"	125.094202
"1706065"	281.059085	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+NH4+CF3COOH"	132.026685
"1634583"	286.01448	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+Na+CF3COOH"	136.98208
"1582833"	301.98842	"C19838"	"D-erythro-3-Hydroxyaspartate"	"C4H7NO5"	"149.0324"	"M+K+CF3COOH"	152.95602
"806636"	416.3079	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M"	0
"983451"	397.28951	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-H2O-H"	-19.01839
"72787"	276.531324	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M-3H"	-3.021828
"513440"	415.300624	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M-3H"	-3.021828
"887963"	137.762024	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-3H"	-3.021828
"8724"	415.300624	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M-2H"	-2.014552
"443913"	623.454574	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M-2H"	-2.014552
"822809"	207.146674	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-2H"	-2.014552
"86080"	831.608524	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M-H"	-1.007276
"530013"	1247.916424	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M-H"	-1.007276
"897242"	415.300624	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-H"	-1.007276
"53449"	848.635071	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M-2H+NH4"	16.019271
"491915"	1264.942971	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M-2H+NH4"	16.019271
"877989"	432.327171	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-2H+NH4"	16.019271
"43094"	853.590466	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M-2H+Na"	20.974666
"485573"	1269.898366	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M-2H+Na"	20.974666
"859365"	437.282566	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-2H+Na"	20.974666
"1625981"	437.282566	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Na-2H"	20.974666
"106519"	433.288963	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M-H+Cl"	33.962126
"543894"	641.442913	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M-H+Cl"	33.962126
"934127"	225.135013	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-H+Cl"	33.962126
"275964"	867.585202	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+Cl"	34.969402
"669478"	1283.893102	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+Cl"	34.969402
"1282974"	451.277302	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Cl"	34.969402
"20061"	869.564406	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M-2H+K"	36.948606
"458162"	1285.872306	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M-2H+K"	36.948606
"840706"	453.256506	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-2H+K"	36.948606
"1567477"	453.256506	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+K-2H"	36.948606
"947703"	461.306094	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-H+HCOOH"	44.998194
"365921"	877.614001	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+HCOOH-H"	44.998201
"357460"	891.629651	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+Hac-H"	59.013851
"1504106"	475.321751	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Hac-H"	59.013851
"966180"	483.288051	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-H+NaCOOH"	66.980151
"119461"	451.277302	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+2Cl"	69.938804
"553553"	659.431252	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+2Cl"	69.938804
"1023812"	243.123352	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2Cl"	69.938804
"1241604"	495.226785	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Br"	78.918885
"1305472"	497.282772	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Cl+HCOOH"	80.974872
"1330633"	519.264729	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Cl+NaCOOH"	102.956829
"917317"	529.293486	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M-H+CF3COOH"	112.985586
"1294025"	565.270164	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Cl+CF3COOH"	148.962264
"1374374"	381.295224	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H-2H2O"	-35.012676
"1392964"	399.3052	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H-H2O"	-17.0027
"294837"	833.623076	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+H"	1.007276
"688719"	1249.930976	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+H"	1.007276
"1363973"	417.315176	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H"	1.007276
"136494"	417.315176	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+2H"	2.014552
"580064"	625.469126	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+2H"	2.014552
"1049229"	209.161226	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2H"	2.014552
"216036"	278.545876	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+3H"	3.021828
"657418"	417.315176	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+3H"	3.021828
"1177248"	139.776576	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+3H"	3.021828
"438087"	850.649623	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+NH4"	18.033823
"800180"	1266.957523	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+NH4"	18.033823
"1694319"	434.341723	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+NH4"	18.033823
"345402"	425.8284495	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+H+NH4"	19.041099
"732835"	633.9823995	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+H+NH4"	19.041099
"1487748"	217.6744995	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H+NH4"	19.041099
"404239"	855.605018	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+Na"	22.989218
"759766"	1271.912918	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+Na"	22.989218
"1608960"	439.297118	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Na"	22.989218
"321184"	428.306147	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+H+Na"	23.996494
"716892"	636.460097	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+H+Na"	23.996494
"1466339"	220.152197	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H+Na"	23.996494
"1059585"	147.10389	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2H+Na"	25.00377
"1260167"	449.341386	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+CH3OH+H"	33.033486
"378378"	871.578958	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+K"	38.963158
"739374"	1287.886858	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+K"	38.963158
"1542885"	455.271058	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+K"	38.963158
"299329"	436.293117	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+H+K"	39.970434
"691706"	644.447067	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+H+K"	39.970434
"1445745"	228.139167	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H+K"	39.970434
"236240"	874.649626	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+ACN+H"	42.033826
"1211985"	458.341726	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+ACN+H"	42.033826
"1195624"	229.674501	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+ACN+2H"	43.041102
"190924"	877.58696	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+2Na-H"	44.97116
"629754"	1293.89486	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+2Na-H"	44.97116
"1131800"	461.27906	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2Na-H"	44.97116
"173227"	439.297118	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+2Na"	45.978436
"618674"	647.451068	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+2Na"	45.978436
"1118899"	231.143168	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2Na"	45.978436
"1402790"	154.431204	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H+2Na"	46.985712
"1436003"	463.320646	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H+HCOOH"	47.012746
"225696"	444.33014	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+3H2O+2H"	56.04448
"1512298"	477.37269	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+IsoProp+H"	61.06479
"410528"	447.284088	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+Na+K"	61.952376
"773346"	655.438038	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+Na+K"	61.952376
"1668583"	239.130138	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Na+K"	61.952376
"254010"	896.631568	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+ACN+Na"	64.015768
"1231093"	480.323668	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+ACN+Na"	64.015768
"1722169"	480.347193	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+NH4+HCOOH"	64.039293
"1186429"	161.758518	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+3Na"	68.967654
"1659602"	485.302588	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Na+HCOOH"	68.994688
"168654"	909.53484	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+2K-H"	76.91904
"604932"	1325.84274	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+2K-H"	76.91904
"1089811"	493.22694	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2K-H"	76.91904
"147357"	455.271058	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"2M+2K"	77.926316
"591289"	663.425008	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"3M+2K"	77.926316
"1075807"	247.117108	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2K"	77.926316
"1102454"	495.241492	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2K+H"	78.933592
"1339931"	495.329107	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+DMSO+H"	79.021207
"1013940"	499.368276	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2ACN+H"	83.060376
"1525258"	500.361908	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+IsoProp+Na+H"	84.054008
"1004961"	250.187776	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+2ACN+2H"	84.067652
"1596300"	501.276528	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+K+HCOOH"	84.968628
"1421959"	531.308038	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+H+CF3COOH"	115.000138
"1159905"	270.701051	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+3ACN+2H"	125.094202
"1707268"	548.334585	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+NH4+CF3COOH"	132.026685
"1635262"	553.28998	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+Na+CF3COOH"	136.98208
"1582943"	569.26392	"C19839"	"44-Diaponeurosporen-4-al"	"C30H40O"	"416.3079"	"M+K+CF3COOH"	152.95602
"804559"	406.36	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M"	0
"983561"	387.34161	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-H2O-H"	-19.01839
"76177"	269.899390666667	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M-3H"	-3.021828
"515737"	405.352724	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M-3H"	-3.021828
"890261"	134.446057333333	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-3H"	-3.021828
"9928"	405.352724	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M-2H"	-2.014552
"440741"	608.532724	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M-2H"	-2.014552
"819272"	202.172724	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-2H"	-2.014552
"89473"	811.712724	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M-H"	-1.007276
"527939"	1218.072724	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M-H"	-1.007276
"899175"	405.352724	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-H"	-1.007276
"50279"	828.739271	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M-2H+NH4"	16.019271
"492025"	1235.099271	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M-2H+NH4"	16.019271
"877856"	422.379271	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-2H+NH4"	16.019271
"42110"	833.694666	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M-2H+Na"	20.974666
"482767"	1240.054666	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M-2H+Na"	20.974666
"860569"	427.334666	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-2H+Na"	20.974666
"1625727"	427.334666	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Na-2H"	20.974666
"107722"	423.341063	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M-H+Cl"	33.962126
"546190"	626.521063	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M-H+Cl"	33.962126
"934237"	220.161063	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-H+Cl"	33.962126
"273887"	847.689402	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+Cl"	34.969402
"669588"	1254.049402	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+Cl"	34.969402
"1279804"	441.329402	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Cl"	34.969402
"21264"	849.668606	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M-2H+K"	36.948606
"461917"	1256.028606	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M-2H+K"	36.948606
"833520"	443.308606	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-2H+K"	36.948606
"1567588"	443.308606	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+K-2H"	36.948606
"948906"	451.358194	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-H+HCOOH"	44.998194
"367125"	857.718201	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+HCOOH-H"	44.998201
"359757"	871.733851	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+Hac-H"	59.013851
"1504218"	465.373851	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Hac-H"	59.013851
"964105"	473.340151	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-H+NaCOOH"	66.980151
"122851"	441.329402	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+2Cl"	69.938804
"553663"	644.509402	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+2Cl"	69.938804
"1026838"	238.149402	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2Cl"	69.938804
"1242769"	485.278885	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Br"	78.918885
"1307043"	487.334872	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Cl+HCOOH"	80.974872
"1325274"	509.316829	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Cl+NaCOOH"	102.956829
"920707"	519.345586	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M-H+CF3COOH"	112.985586
"1297416"	555.322264	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Cl+CF3COOH"	148.962264
"1372297"	371.347324	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H-2H2O"	-35.012676
"1393074"	389.3573	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H-H2O"	-17.0027
"294947"	813.727276	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+H"	1.007276
"690288"	1220.087276	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+H"	1.007276
"1363717"	407.367276	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H"	1.007276
"135511"	407.367276	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+2H"	2.014552
"580541"	610.547276	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+2H"	2.014552
"1049338"	204.187276	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2H"	2.014552
"217970"	271.913942666667	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+3H"	3.021828
"657651"	407.367276	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+3H"	3.021828
"1177965"	136.460609333333	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+3H"	3.021828
"438565"	830.753823	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+NH4"	18.033823
"800411"	1237.113823	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+NH4"	18.033823
"1696258"	424.393823	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+NH4"	18.033823
"345392"	415.8805495	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+H+NH4"	19.041099
"734038"	619.0605495	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+H+NH4"	19.041099
"1488951"	212.7005495	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H+NH4"	19.041099
"407390"	835.709218	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+Na"	22.989218
"762064"	1242.069218	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+Na"	22.989218
"1611257"	429.349218	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Na"	22.989218
"321294"	418.358247	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+H+Na"	23.996494
"720283"	621.538247	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+H+Na"	23.996494
"1465357"	215.178247	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H+Na"	23.996494
"1056414"	143.787923333333	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2H+Na"	25.00377
"1262466"	439.393486	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+CH3OH+H"	33.033486
"382134"	851.683158	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+K"	38.963158
"738753"	1258.043158	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+K"	38.963158
"1542994"	445.323158	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+K"	38.963158
"300171"	426.345217	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+H+K"	39.970434
"691863"	629.525217	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+H+K"	39.970434
"1447506"	223.165217	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H+K"	39.970434
"237323"	854.753826	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+ACN+H"	42.033826
"1211245"	448.393826	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+ACN+H"	42.033826
"1195129"	224.700551	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+ACN+2H"	43.041102
"189334"	857.69116	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+2Na-H"	44.97116
"628728"	1264.05116	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+2Na-H"	44.97116
"1131341"	451.33116	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2Na-H"	44.97116
"172946"	429.349218	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+2Na"	45.978436
"618056"	632.529218	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+2Na"	45.978436
"1116335"	226.169218	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2Na"	45.978436
"1401809"	151.115237333333	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H+2Na"	46.985712
"1439393"	453.372746	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H+HCOOH"	47.012746
"227992"	434.38224	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+3H2O+2H"	56.04448
"1511680"	467.42479	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+IsoProp+H"	61.06479
"414646"	437.336188	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+Na+K"	61.952376
"780017"	640.516188	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+Na+K"	61.952376
"1670881"	234.156188	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Na+K"	61.952376
"255214"	876.735768	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+ACN+Na"	64.015768
"1234483"	470.375768	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+ACN+Na"	64.015768
"1723372"	470.399293	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+NH4+HCOOH"	64.039293
"1184350"	158.442551333333	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+3Na"	68.967654
"1658618"	475.354688	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Na+HCOOH"	68.994688
"166577"	889.63904	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+2K-H"	76.91904
"607230"	1295.99904	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+2K-H"	76.91904
"1089921"	483.27904	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2K-H"	76.91904
"150747"	445.323158	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"2M+2K"	77.926316
"596626"	648.503158	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"3M+2K"	77.926316
"1072637"	242.143158	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2K"	77.926316
"1102564"	485.293592	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2K+H"	78.933592
"1337854"	485.381207	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+DMSO+H"	79.021207
"1011863"	489.420376	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2ACN+H"	83.060376
"1524762"	490.414008	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+IsoProp+Na+H"	84.054008
"1003004"	245.213826	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+2ACN+2H"	84.067652
"1598596"	491.328628	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+K+HCOOH"	84.968628
"1416602"	521.360138	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+H+CF3COOH"	115.000138
"1147982"	265.727101	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+3ACN+2H"	125.094202
"1707378"	538.386685	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+NH4+CF3COOH"	132.026685
"1634399"	543.34208	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+Na+CF3COOH"	136.98208
"1583053"	559.31602	"C19840"	"44-Diapophytofluene"	"C30H46"	"406.36"	"M+K+CF3COOH"	152.95602
"806856"	404.3443	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M"	0
"983671"	385.32591	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-H2O-H"	-19.01839
"75194"	268.555590666667	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M-3H"	-3.021828
"515848"	403.337024	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M-3H"	-3.021828
"888185"	133.774157333333	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-3H"	-3.021828
"10039"	403.337024	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M-2H"	-2.014552
"440152"	605.509174	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M-2H"	-2.014552
"820842"	201.164874	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-2H"	-2.014552
"88126"	807.681324	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M-H"	-1.007276
"530232"	1212.025624	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M-H"	-1.007276
"898920"	403.337024	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-H"	-1.007276
"51846"	824.707871	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M-2H+NH4"	16.019271
"491042"	1229.052171	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M-2H+NH4"	16.019271
"867753"	420.363571	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-2H+NH4"	16.019271
"36747"	829.663266	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M-2H+Na"	20.974666
"481784"	1234.007566	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M-2H+Na"	20.974666
"860315"	425.318966	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-2H+Na"	20.974666
"1625837"	425.318966	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Na-2H"	20.974666
"106011"	421.325363	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M-H+Cl"	33.962126
"544113"	623.497513	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M-H+Cl"	33.962126
"932160"	219.153213	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-H+Cl"	33.962126
"272904"	843.658002	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+Cl"	34.969402
"670792"	1248.002302	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+Cl"	34.969402
"1278821"	439.313702	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Cl"	34.969402
"22468"	845.637206	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M-2H+K"	36.948606
"462027"	1249.981506	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M-2H+K"	36.948606
"834722"	441.292906	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-2H+K"	36.948606
"1563320"	441.292906	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+K-2H"	36.948606
"950110"	449.342494	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-H+HCOOH"	44.998194
"369422"	853.686801	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+HCOOH-H"	44.998201
"351118"	867.702451	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+Hac-H"	59.013851
"1501045"	463.358151	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Hac-H"	59.013851
"970774"	471.324451	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-H+NaCOOH"	66.980151
"116401"	439.313702	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+2Cl"	69.938804
"552073"	641.485852	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+2Cl"	69.938804
"1025126"	237.141552	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2Cl"	69.938804
"1242881"	483.263185	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Br"	78.918885
"1306789"	485.319172	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Cl+HCOOH"	80.974872
"1325384"	507.301129	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Cl+NaCOOH"	102.956829
"912796"	517.329886	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M-H+CF3COOH"	112.985586
"1297526"	553.306564	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Cl+CF3COOH"	148.962264
"1377874"	369.331624	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H-2H2O"	-35.012676
"1389903"	387.3416	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H-H2O"	-17.0027
"293964"	809.695876	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+H"	1.007276
"689910"	1214.040176	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+H"	1.007276
"1363827"	405.351576	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H"	1.007276
"136714"	405.351576	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+2H"	2.014552
"579554"	607.523726	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+2H"	2.014552
"1046168"	203.179426	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2H"	2.014552
"214068"	270.570142666667	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+3H"	3.021828
"656909"	405.351576	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+3H"	3.021828
"1177832"	135.788709333333	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+3H"	3.021828
"439526"	826.722423	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+NH4"	18.033823
"800766"	1231.066723	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+NH4"	18.033823
"1696371"	422.378123	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+NH4"	18.033823
"345344"	413.8648495	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+H+NH4"	19.041099
"732692"	616.0369995	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+H+NH4"	19.041099
"1489061"	211.6926995	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H+NH4"	19.041099
"408112"	831.677818	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+Na"	22.989218
"762175"	1236.022118	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+Na"	22.989218
"1612461"	427.333518	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Na"	22.989218
"322497"	416.342547	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+H+Na"	23.996494
"720398"	618.514697	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+H+Na"	23.996494
"1463281"	214.170397	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H+Na"	23.996494
"1055431"	143.116023333333	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2H+Na"	25.00377
"1264763"	437.377786	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+CH3OH+H"	33.033486
"382246"	847.651758	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+K"	38.963158
"739956"	1251.996058	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+K"	38.963158
"1546383"	443.307458	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+K"	38.963158
"301375"	424.329517	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+H+K"	39.970434
"692702"	626.501667	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+H+K"	39.970434
"1447616"	222.157367	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H+K"	39.970434
"237312"	850.722426	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+ACN+H"	42.033826
"1211113"	446.378126	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+ACN+H"	42.033826
"1199367"	223.692701	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+ACN+2H"	43.041102
"190052"	853.65976	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+2Na-H"	44.97116
"631800"	1258.00406	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+2Na-H"	44.97116
"1132513"	449.31546	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2Na-H"	44.97116
"173248"	427.333518	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+2Na"	45.978436
"618166"	629.505668	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+2Na"	45.978436
"1116933"	225.161368	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2Na"	45.978436
"1402283"	150.443337333333	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H+2Na"	46.985712
"1432939"	451.357046	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H+HCOOH"	47.012746
"222997"	432.36654	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+3H2O+2H"	56.04448
"1511423"	465.40909	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+IsoProp+H"	61.06479
"412570"	435.320488	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+Na+K"	61.952376
"774658"	637.492638	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+Na+K"	61.952376
"1668803"	233.148338	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Na+K"	61.952376
"256418"	872.704368	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+ACN+Na"	64.015768
"1232407"	468.360068	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+ACN+Na"	64.015768
"1723481"	468.383593	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+NH4+HCOOH"	64.039293
"1184462"	157.770651333333	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+3Na"	68.967654
"1658727"	473.338988	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Na+HCOOH"	68.994688
"167780"	885.60764	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+2K-H"	76.91904
"605153"	1289.95194	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+2K-H"	76.91904
"1092945"	481.26334	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2K-H"	76.91904
"144293"	443.307458	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"2M+2K"	77.926316
"590414"	645.479608	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"3M+2K"	77.926316
"1072747"	241.135308	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2K"	77.926316
"1101581"	483.277892	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2K+H"	78.933592
"1336870"	483.365507	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+DMSO+H"	79.021207
"1011973"	487.404676	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2ACN+H"	83.060376
"1524993"	488.398308	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+IsoProp+Na+H"	84.054008
"1004206"	244.205976	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+2ACN+2H"	84.067652
"1598706"	489.312928	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+K+HCOOH"	84.968628
"1416712"	519.344438	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+H+CF3COOH"	115.000138
"1148456"	264.719251	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+3ACN+2H"	125.094202
"1707488"	536.370985	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+NH4+CF3COOH"	132.026685
"1635484"	541.32638	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+Na+CF3COOH"	136.98208
"1583163"	557.30032	"C19841"	"44-Diapo-zeta-carotene"	"C30H44"	"404.3443"	"M+K+CF3COOH"	152.95602
"813528"	289.1386	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M"	0
"984875"	270.12021	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-H2O-H"	-19.01839
"77491"	191.751790666667	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M-3H"	-3.021828
"514865"	288.131324	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M-3H"	-3.021828
"886108"	95.3722573333333	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-3H"	-3.021828
"7963"	288.131324	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M-2H"	-2.014552
"444244"	432.700624	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M-2H"	-2.014552
"823139"	143.562024	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-2H"	-2.014552
"89693"	577.269924	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M-H"	-1.007276
"522689"	866.408524	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M-H"	-1.007276
"903782"	288.131324	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-H"	-1.007276
"53416"	594.296471	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M-2H+NH4"	16.019271
"493344"	883.435071	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M-2H+NH4"	16.019271
"877707"	305.157871	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-2H+NH4"	16.019271
"41971"	599.251866	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M-2H+Na"	20.974666
"481897"	888.390466	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M-2H+Na"	20.974666
"861641"	310.113266	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-2H+Na"	20.974666
"1631051"	310.113266	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Na-2H"	20.974666
"106850"	306.119663	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M-H+Cl"	33.962126
"544223"	450.688963	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M-H+Cl"	33.962126
"938831"	161.550363	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-H+Cl"	33.962126
"280668"	613.246602	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+Cl"	34.969402
"671995"	902.385202	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+Cl"	34.969402
"1284397"	324.108002	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Cl"	34.969402
"24764"	615.225806	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M-2H+K"	36.948606
"462137"	904.364406	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M-2H+K"	36.948606
"846506"	326.087206	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-2H+K"	36.948606
"1565619"	326.087206	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+K-2H"	36.948606
"952410"	334.136794	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-H+HCOOH"	44.998194
"372811"	623.275401	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+HCOOH-H"	44.998201
"352321"	637.291051	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+Hac-H"	59.013851
"1506624"	348.152451	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Hac-H"	59.013851
"970885"	356.118751	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-H+NaCOOH"	66.980151
"120884"	324.108002	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+2Cl"	69.938804
"558259"	468.677302	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+2Cl"	69.938804
"1027059"	179.538702	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2Cl"	69.938804
"1243358"	368.057485	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Br"	78.918885
"1317842"	370.113472	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Cl+HCOOH"	80.974872
"1332055"	392.095429	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Cl+NaCOOH"	102.956829
"922023"	402.124186	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M-H+CF3COOH"	112.985586
"1297637"	438.100864	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Cl+CF3COOH"	148.962264
"1376890"	254.125924	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H-2H2O"	-35.012676
"1397305"	272.1359	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H-H2O"	-17.0027
"295170"	579.284476	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+H"	1.007276
"688684"	868.423076	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+H"	1.007276
"1363938"	290.145876	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H"	1.007276
"140960"	290.145876	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+2H"	2.014552
"579674"	434.715176	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+2H"	2.014552
"1051627"	145.576576	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2H"	2.014552
"215272"	193.766342666667	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+3H"	3.021828
"658964"	290.145876	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+3H"	3.021828
"1178349"	97.3868093333333	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+3H"	3.021828
"439598"	596.311023	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+NH4"	18.033823
"800022"	885.449623	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+NH4"	18.033823
"1696844"	307.172423	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+NH4"	18.033823
"345127"	298.6591495	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+H+NH4"	19.041099
"738155"	443.2284495	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+H+NH4"	19.041099
"1490270"	154.0898495	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H+NH4"	19.041099
"401292"	601.266418	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+Na"	22.989218
"761197"	890.405018	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+Na"	22.989218
"1612577"	312.127818	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Na"	22.989218
"327724"	301.136847	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+H+Na"	23.996494
"720507"	445.706147	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+H+Na"	23.996494
"1469951"	156.567547	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H+Na"	23.996494
"1059918"	104.714123333333	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2H+Na"	25.00377
"1261596"	322.172086	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+CH3OH+H"	33.033486
"383450"	617.240358	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+K"	38.963158
"743350"	906.378958	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+K"	38.963158
"1542488"	328.101758	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+K"	38.963158
"299541"	309.123817	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+H+K"	39.970434
"692086"	453.693117	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+H+K"	39.970434
"1445859"	164.554517	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H+K"	39.970434
"235843"	620.311026	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+ACN+H"	42.033826
"1210494"	331.172426	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+ACN+H"	42.033826
"1196199"	166.089851	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+ACN+2H"	43.041102
"189070"	623.24836	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+2Na-H"	44.97116
"630937"	912.38696	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+2Na-H"	44.97116
"1133964"	334.10976	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2Na-H"	44.97116
"183095"	312.127818	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+2Na"	45.978436
"622655"	456.697118	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+2Na"	45.978436
"1129442"	167.558518	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2Na"	45.978436
"1409685"	112.041437333333	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H+2Na"	46.985712
"1433051"	336.151346	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H+HCOOH"	47.012746
"222743"	317.16084	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+3H2O+2H"	56.04448
"1510080"	350.20339	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+IsoProp+H"	61.06479
"409155"	320.114788	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+Na+K"	61.952376
"770518"	464.684088	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+Na+K"	61.952376
"1669281"	175.545488	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Na+K"	61.952376
"255437"	642.292968	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+ACN+Na"	64.015768
"1234706"	353.154368	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+ACN+Na"	64.015768
"1721406"	353.177893	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+NH4+HCOOH"	64.039293
"1187854"	119.368751333333	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+3Na"	68.967654
"1657752"	358.133288	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Na+HCOOH"	68.994688
"163519"	655.19624	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+2K-H"	76.91904
"605264"	944.33484	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+2K-H"	76.91904
"1095243"	366.05764	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2K-H"	76.91904
"150965"	328.101758	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"2M+2K"	77.926316
"583119"	472.671058	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"3M+2K"	77.926316
"1070670"	183.532458	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2K"	77.926316
"1101691"	368.072192	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2K+H"	78.933592
"1338073"	368.159807	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+DMSO+H"	79.021207
"1020348"	372.198976	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2ACN+H"	83.060376
"1539455"	373.192608	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+IsoProp+Na+H"	84.054008
"1004322"	186.603126	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+2ACN+2H"	84.067652
"1601006"	374.107228	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+K+HCOOH"	84.968628
"1423382"	404.138738	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+H+CF3COOH"	115.000138
"1159871"	207.116401	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+3ACN+2H"	125.094202
"1707598"	421.165285	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+NH4+CF3COOH"	132.026685
"1638874"	426.12068	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+Na+CF3COOH"	136.98208
"1576713"	442.09462	"C19843"	"L-Asp(4-L-Arg)"	"C10H19N5O5"	"289.1386"	"M+K+CF3COOH"	152.95602
"804890"	208.0058	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M"	0
"977330"	188.98741	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-H2O-H"	-19.01839
"69946"	137.663257333333	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M-3H"	-3.021828
"509510"	206.998524	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M-3H"	-3.021828
"881846"	68.3279906666667	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-3H"	-3.021828
"1267"	206.998524	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M-2H"	-2.014552
"441558"	311.001424	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M-2H"	-2.014552
"820695"	102.995624	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-2H"	-2.014552
"80929"	415.004324	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M-H"	-1.007276
"518936"	623.010124	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M-H"	-1.007276
"903892"	206.998524	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-H"	-1.007276
"53526"	432.030871	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M-2H+NH4"	16.019271
"493454"	640.036671	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M-2H+NH4"	16.019271
"878182"	224.025071	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-2H+NH4"	16.019271
"44268"	436.986266	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M-2H+Na"	20.974666
"482007"	644.992066	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M-2H+Na"	20.974666
"862358"	228.980466	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-2H+Na"	20.974666
"1631161"	228.980466	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Na-2H"	20.974666
"107688"	224.986863	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M-H+Cl"	33.962126
"545427"	328.989763	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M-H+Cl"	33.962126
"937847"	120.983963	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-H+Cl"	33.962126
"280662"	450.981002	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+Cl"	34.969402
"672105"	658.986802	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+Cl"	34.969402
"1282321"	242.975202	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Cl"	34.969402
"24874"	452.960206	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M-2H+K"	36.948606
"462247"	660.966006	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M-2H+K"	36.948606
"844427"	244.954406	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-2H+K"	36.948606
"1562447"	244.954406	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+K-2H"	36.948606
"949238"	253.003994	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-H+HCOOH"	44.998194
"368546"	461.009801	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+HCOOH-H"	44.998201
"352431"	475.025451	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+Hac-H"	59.013851
"1506370"	267.019651	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Hac-H"	59.013851
"962250"	274.985951	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-H+NaCOOH"	66.980151
"116621"	242.975202	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+2Cl"	69.938804
"553995"	346.978102	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+2Cl"	69.938804
"1024253"	138.972302	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2Cl"	69.938804
"1243830"	286.924685	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Br"	78.918885
"1318318"	288.980672	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Cl+HCOOH"	80.974872
"1332165"	310.962629	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Cl+NaCOOH"	102.956829
"926509"	320.991386	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M-H+CF3COOH"	112.985586
"1301027"	356.968064	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Cl+CF3COOH"	148.962264
"1374814"	172.993124	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H-2H2O"	-35.012676
"1396686"	191.0031	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H-H2O"	-17.0027
"297105"	417.018876	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+H"	1.007276
"688431"	625.024676	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+H"	1.007276
"1360768"	209.013076	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H"	1.007276
"139125"	209.013076	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+2H"	2.014552
"577591"	313.015976	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+2H"	2.014552
"1047482"	105.010176	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2H"	2.014552
"217570"	139.677809333333	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+3H"	3.021828
"656765"	209.013076	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+3H"	3.021828
"1177203"	70.3425426666667	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+3H"	3.021828
"439260"	434.045423	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+NH4"	18.033823
"799525"	642.051223	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+NH4"	18.033823
"1696789"	226.039623	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+NH4"	18.033823
"344513"	217.5263495	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+H+NH4"	19.041099
"737656"	321.5292495	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+H+NH4"	19.041099
"1490380"	113.5234495	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H+NH4"	19.041099
"401402"	439.000818	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+Na"	22.989218
"760213"	647.006618	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+Na"	22.989218
"1612687"	230.995018	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Na"	22.989218
"328194"	220.004047	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+H+Na"	23.996494
"718429"	324.006947	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+H+Na"	23.996494
"1470062"	116.001147	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H+Na"	23.996494
"1057841"	77.6698566666667	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2H+Na"	25.00377
"1258427"	241.039286	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+CH3OH+H"	33.033486
"384653"	454.974758	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+K"	38.963158
"745648"	662.980558	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+K"	38.963158
"1544420"	246.968958	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+K"	38.963158
"301597"	227.991017	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+H+K"	39.970434
"692197"	331.993917	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+H+K"	39.970434
"1445893"	123.988117	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H+K"	39.970434
"237536"	458.045426	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+ACN+H"	42.033826
"1210607"	250.039626	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+ACN+H"	42.033826
"1197404"	125.523451	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+ACN+2H"	43.041102
"191374"	460.98276	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+2Na-H"	44.97116
"630201"	668.98856	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+2Na-H"	44.97116
"1132250"	252.97696	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2Na-H"	44.97116
"184299"	230.995018	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+2Na"	45.978436
"622765"	334.997918	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+2Na"	45.978436
"1122990"	126.992118	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2Na"	45.978436
"1409795"	84.9971706666667	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H+2Na"	46.985712
"1438630"	255.018546	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H+HCOOH"	47.012746
"223948"	236.02804	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+3H2O+2H"	56.04448
"1514199"	269.07059	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+IsoProp+H"	61.06479
"409875"	238.981988	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+Na+K"	61.952376
"773785"	342.984888	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+Na+K"	61.952376
"1670119"	134.979088	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Na+K"	61.952376
"252626"	480.027368	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+ACN+Na"	64.015768
"1232630"	272.021568	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+ACN+Na"	64.015768
"1718601"	272.045093	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+NH4+HCOOH"	64.039293
"1184683"	92.3244846666667	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+3Na"	68.967654
"1656770"	277.000488	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Na+HCOOH"	68.994688
"166908"	492.93064	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+2K-H"	76.91904
"607561"	700.93644	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+2K-H"	76.91904
"1089885"	284.92484	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2K-H"	76.91904
"145607"	246.968958	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"2M+2K"	77.926316
"587362"	350.971858	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"3M+2K"	77.926316
"1069686"	142.966058	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2K"	77.926316
"1102891"	286.939392	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2K+H"	78.933592
"1338183"	287.027007	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+DMSO+H"	79.021207
"1020093"	291.066176	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2ACN+H"	83.060376
"1539073"	292.059808	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+IsoProp+Na+H"	84.054008
"1004676"	146.036726	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+2ACN+2H"	84.067652
"1602417"	292.974428	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+K+HCOOH"	84.968628
"1426772"	323.005938	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+H+CF3COOH"	115.000138
"1160345"	166.550001	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+3ACN+2H"	125.094202
"1707708"	340.032485	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+NH4+CF3COOH"	132.026685
"1636797"	344.98788	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+Na+CF3COOH"	136.98208
"1576823"	360.96182	"C19844"	"(1S3R)-3-(22-Dichloroethenyl)-22-dimethylcyclopropanecarboxylate"	"C8H10Cl2O2"	"208.0058"	"M+K+CF3COOH"	152.95602
"803910"	724.0648	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M"	0
"981817"	705.04641	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-H2O-H"	-19.01839
"66779"	481.702590666667	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M-3H"	-3.021828
"507433"	723.057524	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M-3H"	-3.021828
"886327"	240.347657333333	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-3H"	-3.021828
"7088"	723.057524	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M-2H"	-2.014552
"440689"	1085.089924	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M-2H"	-2.014552
"827742"	361.025124	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-2H"	-2.014552
"86640"	1447.122324	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M-H"	-1.007276
"525108"	2171.187124	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M-H"	-1.007276
"911186"	723.057524	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-H"	-1.007276
"62150"	1464.148871	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M-2H+NH4"	16.019271
"499039"	2188.213671	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M-2H+NH4"	16.019271
"878542"	740.084071	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-2H+NH4"	16.019271
"46649"	1469.104266	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M-2H+Na"	20.974666
"486248"	2193.169066	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M-2H+Na"	20.974666
"860645"	745.039466	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-2H+Na"	20.974666
"1628356"	745.039466	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Na-2H"	20.974666
"103790"	741.045863	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M-H+Cl"	33.962126
"549066"	1103.078263	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M-H+Cl"	33.962126
"942384"	379.013463	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-H+Cl"	33.962126
"280888"	1483.099002	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+Cl"	34.969402
"673309"	2207.163802	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+Cl"	34.969402
"1286934"	759.034202	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Cl"	34.969402
"30460"	1485.078206	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M-2H+K"	36.948606
"466737"	2209.143006	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M-2H+K"	36.948606
"843446"	761.013406	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-2H+K"	36.948606
"1570875"	761.013406	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+K-2H"	36.948606
"957008"	769.062994	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-H+HCOOH"	44.998194
"370849"	1493.127801	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+HCOOH-H"	44.998201
"353639"	1507.143451	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+Hac-H"	59.013851
"1503564"	783.078651	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Hac-H"	59.013851
"964546"	791.044951	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-H+NaCOOH"	66.980151
"116733"	759.034202	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+2Cl"	69.938804
"563592"	1121.066602	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+2Cl"	69.938804
"1034945"	397.001802	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2Cl"	69.938804
"1256591"	802.983685	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Br"	78.918885
"1319405"	805.039672	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Cl+HCOOH"	80.974872
"1335078"	827.021629	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Cl+NaCOOH"	102.956829
"924434"	837.050386	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M-H+CF3COOH"	112.985586
"1303819"	873.027064	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Cl+CF3COOH"	148.962264
"1382425"	689.052124	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H-2H2O"	-35.012676
"1397774"	707.0621	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H-H2O"	-17.0027
"297213"	1449.136876	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+H"	1.007276
"684532"	2173.201676	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+H"	1.007276
"1357599"	725.072076	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H"	1.007276
"131582"	725.072076	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+2H"	2.014552
"574422"	1087.104476	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+2H"	2.014552
"1050884"	363.039676	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2H"	2.014552
"217320"	483.717142666667	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+3H"	3.021828
"655057"	725.072076	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+3H"	3.021828
"1177804"	242.362209333333	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+3H"	3.021828
"438409"	1466.163423	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+NH4"	18.033823
"799521"	2190.228223	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+NH4"	18.033823
"1695973"	742.098623	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+NH4"	18.033823
"343887"	733.5853495	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+H+NH4"	19.041099
"733391"	1095.6177495	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+H+NH4"	19.041099
"1483929"	371.5529495	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H+NH4"	19.041099
"407355"	1471.118818	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+Na"	22.989218
"761424"	2195.183618	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+Na"	22.989218
"1610619"	747.054018	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Na"	22.989218
"320654"	736.063047	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+H+Na"	23.996494
"709795"	1098.095447	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+H+Na"	23.996494
"1464709"	374.030647	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H+Na"	23.996494
"1060139"	249.689523333333	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2H+Na"	25.00377
"1261817"	757.098286	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+CH3OH+H"	33.033486
"379662"	1487.092758	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+K"	38.963158
"741022"	2211.157558	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+K"	38.963158
"1542345"	763.027958	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+K"	38.963158
"299886"	744.050017	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+H+K"	39.970434
"694126"	1106.082417	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+H+K"	39.970434
"1447945"	382.017617	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H+K"	39.970434
"236921"	1490.163426	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+ACN+H"	42.033826
"1210961"	766.098626	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+ACN+H"	42.033826
"1196067"	383.552951	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+ACN+2H"	43.041102
"196959"	1493.10076	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+2Na-H"	44.97116
"631780"	2217.16556	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+2Na-H"	44.97116
"1134556"	769.03596	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2Na-H"	44.97116
"181131"	747.054018	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+2Na"	45.978436
"614856"	1109.086418	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+2Na"	45.978436
"1119820"	385.021618	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2Na"	45.978436
"1401886"	257.016837333333	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H+2Na"	46.985712
"1443120"	771.077546	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H+HCOOH"	47.012746
"232814"	752.08704	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+3H2O+2H"	56.04448
"1518692"	785.12959	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+IsoProp+H"	61.06479
"420565"	755.040988	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+Na+K"	61.952376
"777184"	1117.073388	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+Na+K"	61.952376
"1675704"	393.008588	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Na+K"	61.952376
"257850"	1512.145368	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+ACN+Na"	64.015768
"1239674"	788.080568	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+ACN+Na"	64.015768
"1721634"	788.104093	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+NH4+HCOOH"	64.039293
"1186986"	264.344151333333	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+3Na"	68.967654
"1654325"	793.059488	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Na+HCOOH"	68.994688
"158145"	1525.04864	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+2K-H"	76.91904
"597836"	2249.11344	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+2K-H"	76.91904
"1086723"	800.98384	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2K-H"	76.91904
"144634"	763.027958	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"2M+2K"	77.926316
"583220"	1125.060358	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"3M+2K"	77.926316
"1083301"	400.995558	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2K"	77.926316
"1111769"	802.998392	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2K+H"	78.933592
"1345967"	803.086007	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+DMSO+H"	79.021207
"1018871"	807.125176	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2ACN+H"	83.060376
"1538940"	808.118808	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+IsoProp+Na+H"	84.054008
"1004295"	404.066226	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+2ACN+2H"	84.067652
"1602714"	809.033428	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+K+HCOOH"	84.968628
"1426887"	839.064938	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+H+CF3COOH"	115.000138
"1159362"	424.579501	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+3ACN+2H"	125.094202
"1704539"	856.091485	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+NH4+CF3COOH"	132.026685
"1642377"	861.04688	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+Na+CF3COOH"	136.98208
"1580214"	877.02082	"C19848"	"Adenylated molybdopterin;Adenylyl-molybdopterin"	"C20H26N10O12P2S2"	"724.0648"	"M+K+CF3COOH"	152.95602
"807301"	607.199	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M"	0
"980833"	588.18061	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-H2O-H"	-19.01839
"66889"	403.792057333333	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M-3H"	-3.021828
"510823"	606.191724	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M-3H"	-3.021828
"889717"	201.392390666667	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-3H"	-3.021828
"2337"	606.191724	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M-2H"	-2.014552
"455526"	909.791224	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M-2H"	-2.014552
"832520"	302.592224	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-2H"	-2.014552
"93931"	1213.390724	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M-H"	-1.007276
"533371"	1820.589724	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M-H"	-1.007276
"911052"	606.191724	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-H"	-1.007276
"60679"	1230.417271	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M-2H+NH4"	16.019271
"498053"	1837.616271	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M-2H+NH4"	16.019271
"878041"	623.218271	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-2H+NH4"	16.019271
"47072"	1235.372666	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M-2H+Na"	20.974666
"481129"	1842.571666	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M-2H+Na"	20.974666
"858932"	628.173666	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-2H+Na"	20.974666
"1631745"	628.173666	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Na-2H"	20.974666
"104995"	624.180063	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M-H+Cl"	33.962126
"549837"	927.779563	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M-H+Cl"	33.962126
"942758"	320.580563	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-H+Cl"	33.962126
"278811"	1249.367402	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+Cl"	34.969402
"675610"	1856.566402	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+Cl"	34.969402
"1286801"	642.168402	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Cl"	34.969402
"30652"	1251.346606	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M-2H+K"	36.948606
"469403"	1858.545606	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M-2H+K"	36.948606
"844652"	644.147606	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-2H+K"	36.948606
"1567047"	644.147606	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+K-2H"	36.948606
"957728"	652.197194	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-H+HCOOH"	44.998194
"372054"	1259.396201	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+HCOOH-H"	44.998201
"357029"	1273.411851	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+Hac-H"	59.013851
"1499305"	666.212851	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Hac-H"	59.013851
"966846"	674.179151	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-H+NaCOOH"	66.980151
"122319"	642.168402	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+2Cl"	69.938804
"564921"	945.767902	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+2Cl"	69.938804
"1036764"	338.568902	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2Cl"	69.938804
"1255004"	686.117885	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Br"	78.918885
"1318912"	688.173872	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Cl+HCOOH"	80.974872
"1332757"	710.155829	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Cl+NaCOOH"	102.956829
"926002"	720.184586	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M-H+CF3COOH"	112.985586
"1303969"	756.161264	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Cl+CF3COOH"	148.962264
"1381239"	572.186324	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H-2H2O"	-35.012676
"1397278"	590.1963	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H-H2O"	-17.0027
"296597"	1215.405276	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+H"	1.007276
"684642"	1822.604276	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+H"	1.007276
"1357709"	608.206276	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H"	1.007276
"132782"	608.206276	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+2H"	2.014552
"574534"	911.805776	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+2H"	2.014552
"1046613"	304.606776	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2H"	2.014552
"217794"	405.806609333333	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+3H"	3.021828
"658815"	608.206276	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+3H"	3.021828
"1177308"	203.406942666667	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+3H"	3.021828
"439494"	1232.431823	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+NH4"	18.033823
"801014"	1839.630823	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+NH4"	18.033823
"1696895"	625.232823	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+NH4"	18.033823
"343998"	616.7195495	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+H+NH4"	19.041099
"736784"	920.3190495	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+H+NH4"	19.041099
"1484047"	313.1200495	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H+NH4"	19.041099
"401636"	1237.387218	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+Na"	22.989218
"760447"	1844.586218	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+Na"	22.989218
"1603682"	630.188218	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Na"	22.989218
"316390"	619.197247	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+H+Na"	23.996494
"708933"	922.796747	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+H+Na"	23.996494
"1462262"	315.597747	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H+Na"	23.996494
"1053564"	210.734256666667	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2H+Na"	25.00377
"1258647"	640.232486	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+CH3OH+H"	33.033486
"378310"	1253.361158	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+K"	38.963158
"739188"	1860.560158	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+K"	38.963158
"1540265"	646.162158	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+K"	38.963158
"299266"	627.184217	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+H+K"	39.970434
"691685"	930.783717	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+H+K"	39.970434
"1448065"	323.584717	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H+K"	39.970434
"239949"	1256.431826	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+ACN+H"	42.033826
"1211198"	649.232826	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+ACN+H"	42.033826
"1203107"	325.120051	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+ACN+2H"	43.041102
"191600"	1259.36916	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+2Na-H"	44.97116
"632986"	1866.56816	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+2Na-H"	44.97116
"1137951"	652.17016	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2Na-H"	44.97116
"181241"	630.188218	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+2Na"	45.978436
"620435"	933.787718	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+2Na"	45.978436
"1121752"	326.588718	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2Na"	45.978436
"1407833"	218.061570666667	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H+2Na"	46.985712
"1441042"	654.211746	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H+HCOOH"	47.012746
"229646"	635.22124	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+3H2O+2H"	56.04448
"1520986"	668.26379	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+IsoProp+H"	61.06479
"414113"	638.175188	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+Na+K"	61.952376
"781671"	941.774688	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+Na+K"	61.952376
"1675814"	334.575688	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Na+K"	61.952376
"262336"	1278.413768	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+ACN+Na"	64.015768
"1236138"	671.214768	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+ACN+Na"	64.015768
"1723930"	671.238293	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+NH4+HCOOH"	64.039293
"1184909"	225.388884666667	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+3Na"	68.967654
"1656989"	676.193688	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Na+HCOOH"	68.994688
"159354"	1291.31704	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+2K-H"	76.91904
"599037"	1898.51604	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+2K-H"	76.91904
"1086834"	684.11804	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2K-H"	76.91904
"144742"	646.162158	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"2M+2K"	77.926316
"596594"	949.761658	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"3M+2K"	77.926316
"1082801"	342.562658	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2K"	77.926316
"1115288"	686.132592	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2K+H"	78.933592
"1351106"	686.220207	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+DMSO+H"	79.021207
"1020808"	690.259376	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2ACN+H"	83.060376
"1538200"	691.253008	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+IsoProp+Na+H"	84.054008
"1004524"	345.633326	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+2ACN+2H"	84.067652
"1600975"	692.167628	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+K+HCOOH"	84.968628
"1424811"	722.199138	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+H+CF3COOH"	115.000138
"1157285"	366.146601	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+3ACN+2H"	125.094202
"1705742"	739.225685	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+NH4+CF3COOH"	132.026685
"1640301"	744.18108	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+Na+CF3COOH"	136.98208
"1580327"	760.15502	"C19850"	"4-O-Phosphohygromycin B"	"C20H38N3O16P"	"607.199"	"M+K+CF3COOH"	152.95602
"804131"	621.0274	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M"	0
"974462"	602.00901	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-H2O-H"	-19.01839
"64812"	413.010990666667	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M-3H"	-3.021828
"507653"	620.020124	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M-3H"	-3.021828
"884358"	206.001857333333	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-3H"	-3.021828
"6"	620.020124	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M-2H"	-2.014552
"455477"	930.533824	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M-2H"	-2.014552
"831973"	309.506424	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-2H"	-2.014552
"94231"	1241.047524	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M-H"	-1.007276
"533606"	1862.074924	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M-H"	-1.007276
"911077"	620.020124	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-H"	-1.007276
"62712"	1258.074071	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M-2H+NH4"	16.019271
"501322"	1879.101471	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M-2H+NH4"	16.019271
"877787"	637.046671	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-2H+NH4"	16.019271
"46380"	1263.029466	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M-2H+Na"	20.974666
"476867"	1884.056866	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M-2H+Na"	20.974666
"859043"	642.002066	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-2H+Na"	20.974666
"1629669"	642.002066	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Na-2H"	20.974666
"109943"	638.008463	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M-H+Cl"	33.962126
"549840"	948.522163	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M-H+Cl"	33.962126
"942648"	327.494763	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-H+Cl"	33.962126
"276734"	1277.024202	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+Cl"	34.969402
"674264"	1898.051602	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+Cl"	34.969402
"1286668"	655.996802	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Cl"	34.969402
"30677"	1279.003406	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M-2H+K"	36.948606
"470610"	1900.030806	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M-2H+K"	36.948606
"846590"	657.976006	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-2H+K"	36.948606
"1568984"	657.976006	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+K-2H"	36.948606
"956866"	666.025594	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-H+HCOOH"	44.998194
"372164"	1287.053001	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+HCOOH-H"	44.998201
"358232"	1301.068651	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+Hac-H"	59.013851
"1499415"	680.041251	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Hac-H"	59.013851
"968779"	688.007551	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-H+NaCOOH"	66.980151
"125223"	655.996802	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+2Cl"	69.938804
"565235"	966.510502	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+2Cl"	69.938804
"1036639"	345.483102	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2Cl"	69.938804
"1256572"	699.946285	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Br"	78.918885
"1318651"	702.002272	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Cl+HCOOH"	80.974872
"1333596"	723.984229	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Cl+NaCOOH"	102.956829
"926997"	734.012986	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M-H+CF3COOH"	112.985586
"1301361"	769.989664	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Cl+CF3COOH"	148.962264
"1382404"	586.014724	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H-2H2O"	-35.012676
"1398348"	604.0247	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H-H2O"	-17.0027
"296343"	1243.062076	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+H"	1.007276
"689491"	1864.089476	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+H"	1.007276
"1365110"	622.034676	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H"	1.007276
"131800"	622.034676	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+2H"	2.014552
"574644"	932.548376	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+2H"	2.014552
"1046723"	311.520976	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2H"	2.014552
"218271"	415.025542666667	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+3H"	3.021828
"658193"	622.034676	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+3H"	3.021828
"1176689"	208.016409333333	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+3H"	3.021828
"438140"	1260.088623	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+NH4"	18.033823
"798769"	1881.116023	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+NH4"	18.033823
"1695097"	639.061223	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+NH4"	18.033823
"337912"	630.5479495	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+H+NH4"	19.041099
"733613"	941.0616495	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+H+NH4"	19.041099
"1481971"	320.0342495	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H+NH4"	19.041099
"397372"	1265.044018	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+Na"	22.989218
"761650"	1886.071418	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+Na"	22.989218
"1605372"	644.016618	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Na"	22.989218
"315161"	633.025647	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+H+Na"	23.996494
"709040"	943.539347	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+H+Na"	23.996494
"1462983"	322.511947	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H+Na"	23.996494
"1054894"	215.343723333333	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2H+Na"	25.00377
"1258148"	654.060886	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+CH3OH+H"	33.033486
"377572"	1281.017958	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+K"	38.963158
"740515"	1902.045358	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+K"	38.963158
"1540497"	659.990558	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+K"	38.963158
"298844"	641.012617	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+H+K"	39.970434
"691503"	951.526317	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+H+K"	39.970434
"1447444"	330.498917	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H+K"	39.970434
"238237"	1284.088626	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+ACN+H"	42.033826
"1210580"	663.061226	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+ACN+H"	42.033826
"1206497"	332.034251	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+ACN+2H"	43.041102
"193534"	1287.02596	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+2Na-H"	44.97116
"633462"	1908.05336	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+2Na-H"	44.97116
"1138061"	665.99856	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2Na-H"	44.97116
"182445"	644.016618	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+2Na"	45.978436
"620910"	954.530318	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+2Na"	45.978436
"1121498"	333.502918	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2Na"	45.978436
"1407943"	222.671037333333	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H+2Na"	46.985712
"1441153"	668.040146	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H+HCOOH"	47.012746
"229756"	649.04964	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+3H2O+2H"	56.04448
"1518910"	682.09219	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+IsoProp+H"	61.06479
"413130"	652.003588	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+Na+K"	61.952376
"774126"	962.517288	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+Na+K"	61.952376
"1673737"	341.489888	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Na+K"	61.952376
"262446"	1306.070568	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+ACN+Na"	64.015768
"1236248"	685.043168	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+ACN+Na"	64.015768
"1720760"	685.066693	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+NH4+HCOOH"	64.039293
"1185018"	229.998351333333	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+3Na"	68.967654
"1654182"	690.022088	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Na+HCOOH"	68.994688
"158614"	1318.97384	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+2K-H"	76.91904
"598904"	1940.00124	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+2K-H"	76.91904
"1089130"	697.94644	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2K-H"	76.91904
"144853"	659.990558	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"2M+2K"	77.926316
"596912"	970.504258	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"3M+2K"	77.926316
"1083889"	349.476858	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2K"	77.926316
"1115563"	699.960992	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2K+H"	78.933592
"1350686"	700.048607	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+DMSO+H"	79.021207
"1021210"	704.087776	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2ACN+H"	83.060376
"1538310"	705.081408	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+IsoProp+Na+H"	84.054008
"1001476"	352.547526	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+2ACN+2H"	84.067652
"1601449"	705.996028	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+K+HCOOH"	84.968628
"1424921"	736.027538	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+H+CF3COOH"	115.000138
"1159583"	373.060801	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+3ACN+2H"	125.094202
"1706947"	753.054085	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+NH4+CF3COOH"	132.026685
"1648066"	758.00948	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+Na+CF3COOH"	136.98208
"1580437"	773.98342	"C19851"	"ADP-ribose 12-phosphate;ADP-ribose 12-cyclic phosphate"	"C15H22N5O16P3"	"621.0274"	"M+K+CF3COOH"	152.95602
"807521"	926.6318	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M"	0
"977773"	907.61341	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H2O-H"	-19.01839
"64556"	616.747257333333	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-3H"	-3.021828
"506669"	925.624524	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-3H"	-3.021828
"882646"	307.869990666667	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-3H"	-3.021828
"1950"	925.624524	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H"	-2.014552
"442609"	1388.940424	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H"	-2.014552
"821507"	462.308624	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H"	-2.014552
"92445"	1852.256324	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-H"	-1.007276
"532979"	2778.888124	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-H"	-1.007276
"910292"	925.624524	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H"	-1.007276
"54340"	1869.282871	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H+NH4"	16.019271
"494993"	2795.914671	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H+NH4"	16.019271
"876074"	942.651071	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H+NH4"	16.019271
"38508"	1874.238266	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H+Na"	20.974666
"475155"	2800.870066	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H+Na"	20.974666
"853686"	947.606466	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H+Na"	20.974666
"1629779"	947.606466	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na-2H"	20.974666
"105215"	943.612863	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-H+Cl"	33.962126
"545867"	1406.928763	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-H+Cl"	33.962126
"933914"	480.296963	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+Cl"	33.962126
"270284"	1888.233002	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Cl"	34.969402
"673279"	2814.864802	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+Cl"	34.969402
"1279483"	961.601202	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl"	34.969402
"22040"	1890.212206	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M-2H+K"	36.948606
"469625"	2816.844006	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M-2H+K"	36.948606
"846700"	963.580406	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-2H+K"	36.948606
"1568361"	963.580406	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K-2H"	36.948606
"956974"	971.629994	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+HCOOH"	44.998194
"375552"	1898.261801	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+HCOOH-H"	44.998201
"357249"	1912.277451	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Hac-H"	59.013851
"1496245"	985.645651	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Hac-H"	59.013851
"963786"	993.611951	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+NaCOOH"	66.980151
"125212"	961.601202	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2Cl"	69.938804
"565467"	1424.917102	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2Cl"	69.938804
"1036951"	498.285302	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2Cl"	69.938804
"1257004"	1005.550685	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Br"	78.918885
"1317302"	1007.606672	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl+HCOOH"	80.974872
"1332978"	1029.588629	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl+NaCOOH"	102.956829
"926841"	1039.617386	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M-H+CF3COOH"	112.985586
"1301471"	1075.594064	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Cl+CF3COOH"	148.962264
"1382432"	891.619124	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H-2H2O"	-35.012676
"1398313"	909.6291	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H-H2O"	-17.0027
"296453"	1854.270876	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H"	1.007276
"689601"	2780.902676	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H"	1.007276
"1364491"	927.639076	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H"	1.007276
"129723"	927.639076	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2H"	2.014552
"570379"	1390.954976	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2H"	2.014552
"1043553"	464.323176	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2H"	2.014552
"216922"	618.761809333333	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+3H"	3.021828
"658182"	927.639076	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+3H"	3.021828
"1176797"	309.884542666667	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+3H"	3.021828
"436790"	1871.297423	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+NH4"	18.033823
"796692"	2797.929223	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+NH4"	18.033823
"1693021"	944.665623	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+NH4"	18.033823
"333647"	936.1523495	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H+NH4"	19.041099
"727162"	1399.4682495	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H+NH4"	19.041099
"1483174"	472.8364495	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+NH4"	19.041099
"399669"	1876.252818	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Na"	22.989218
"763947"	2802.884618	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+Na"	22.989218
"1605482"	949.621018	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na"	22.989218
"314379"	938.630047	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H+Na"	23.996494
"707214"	1401.945947	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H+Na"	23.996494
"1461712"	475.314147	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+Na"	23.996494
"1053017"	317.211856666667	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2H+Na"	25.00377
"1258497"	959.665286	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+CH3OH+H"	33.033486
"377152"	1892.226758	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+K"	38.963158
"738675"	2818.858558	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+K"	38.963158
"1540203"	965.594958	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K"	38.963158
"299484"	946.617017	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+H+K"	39.970434
"691464"	1409.932917	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+H+K"	39.970434
"1445969"	483.301117	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+K"	39.970434
"237251"	1895.297426	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+ACN+H"	42.033826
"1211781"	968.665626	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+ACN+H"	42.033826
"1198587"	484.836451	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+ACN+2H"	43.041102
"189634"	1898.23476	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2Na-H"	44.97116
"632841"	2824.86656	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2Na-H"	44.97116
"1132700"	971.60296	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2Na-H"	44.97116
"175263"	949.621018	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2Na"	45.978436
"614822"	1412.936918	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2Na"	45.978436
"1118692"	486.305118	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2Na"	45.978436
"1401493"	324.539170666667	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+2Na"	46.985712
"1433608"	973.644546	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+HCOOH"	47.012746
"226585"	954.65404	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+3H2O+2H"	56.04448
"1510271"	987.69659	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+IsoProp+H"	61.06479
"409955"	957.607988	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+Na+K"	61.952376
"772409"	1420.923888	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+Na+K"	61.952376
"1667649"	494.292088	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na+K"	61.952376
"258183"	1917.279368	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+ACN+Na"	64.015768
"1228703"	990.647568	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+ACN+Na"	64.015768
"1716496"	990.671093	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+NH4+HCOOH"	64.039293
"1179660"	331.866484666667	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+3Na"	68.967654
"1650038"	995.626488	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na+HCOOH"	68.994688
"157373"	1930.18264	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2K-H"	76.91904
"597426"	2856.81444	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2K-H"	76.91904
"1084490"	1003.55084	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2K-H"	76.91904
"141476"	965.594958	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"2M+2K"	77.926316
"595841"	1428.910858	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"3M+2K"	77.926316
"1083509"	502.279058	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2K"	77.926316
"1114287"	1005.565392	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2K+H"	78.933592
"1350797"	1005.653007	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+DMSO+H"	79.021207
"1021030"	1009.692176	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2ACN+H"	83.060376
"1537327"	1010.685808	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+IsoProp+Na+H"	84.054008
"1000493"	505.349726	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+2ACN+2H"	84.067652
"1601559"	1011.600428	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K+HCOOH"	84.968628
"1425031"	1041.631938	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+H+CF3COOH"	115.000138
"1159693"	525.863001	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+3ACN+2H"	125.094202
"1705963"	1058.658485	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+NH4+CF3COOH"	132.026685
"1648176"	1063.61388	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+Na+CF3COOH"	136.98208
"1577267"	1079.58782	"C19852"	"tritransheptacis-Undecaprenyl diphosphate"	"C55H92O7P2"	"926.6318"	"M+K+CF3COOH"	152.95602
"804352"	1588.8224	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M"	0
"975696"	1569.80401	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-H2O-H"	-19.01839
"65393"	1058.20765733333	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M-3H"	-3.021828
"508963"	1587.815124	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M-3H"	-3.021828
"883493"	528.600190666667	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-3H"	-3.021828
"6443"	1587.815124	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M-2H"	-2.014552
"446006"	2382.226324	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M-2H"	-2.014552
"830498"	793.403924	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-2H"	-2.014552
"89274"	3176.637524	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M-H"	-1.007276
"532967"	4765.459924	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M-H"	-1.007276
"907726"	1587.815124	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-H"	-1.007276
"57727"	3193.664071	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M-2H+NH4"	16.019271
"495100"	4782.486471	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M-2H+NH4"	16.019271
"870717"	1604.841671	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-2H+NH4"	16.019271
"35339"	3198.619466	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M-2H+Na"	20.974666
"474898"	4787.441866	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M-2H+Na"	20.974666
"851609"	1609.797066	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-2H+Na"	20.974666
"1624422"	1609.797066	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Na-2H"	20.974666
"104230"	1605.803463	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M-H+Cl"	33.962126
"543790"	2400.214663	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M-H+Cl"	33.962126
"937306"	811.392263	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-H+Cl"	33.962126
"281700"	3212.614202	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+Cl"	34.969402
"673026"	4801.436602	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+Cl"	34.969402
"1285062"	1623.791802	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Cl"	34.969402
"27622"	3214.593406	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M-2H+K"	36.948606
"470101"	4803.415806	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M-2H+K"	36.948606
"842797"	1625.771006	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-2H+K"	36.948606
"1567376"	1625.771006	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+K-2H"	36.948606
"955992"	1633.820594	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-H+HCOOH"	44.998194
"370197"	3222.643001	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+HCOOH-H"	44.998201
"359190"	3236.658651	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+Hac-H"	59.013851
"1504740"	1647.836251	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Hac-H"	59.013851
"972650"	1655.802551	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-H+NaCOOH"	66.980151
"123745"	1623.791802	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+2Cl"	69.938804
"565015"	2418.203002	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+2Cl"	69.938804
"1036963"	829.380602	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2Cl"	69.938804
"1254599"	1667.741285	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Br"	78.918885
"1317779"	1669.797272	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Cl+HCOOH"	80.974872
"1334546"	1691.779229	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Cl+NaCOOH"	102.956829
"921957"	1701.807986	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M-H+CF3COOH"	112.985586
"1302679"	1737.784664	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Cl+CF3COOH"	148.962264
"1381814"	1553.809724	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H-2H2O"	-35.012676
"1396147"	1571.8197	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H-H2O"	-17.0027
"295832"	3178.652076	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+H"	1.007276
"680598"	4767.474476	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+H"	1.007276
"1358041"	1589.829676	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H"	1.007276
"130930"	1589.829676	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+2H"	2.014552
"570489"	2384.240876	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+2H"	2.014552
"1046943"	795.418476	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2H"	2.014552
"219424"	1060.22220933333	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+3H"	3.021828
"655138"	1589.829676	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+3H"	3.021828
"1173627"	530.614742666667	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+3H"	3.021828
"435807"	3195.678623	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+NH4"	18.033823
"796802"	4784.501023	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+NH4"	18.033823
"1685478"	1606.856223	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+NH4"	18.033823
"338133"	1598.3429495	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+H+NH4"	19.041099
"731650"	2392.7541495	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+H+NH4"	19.041099
"1484382"	803.9317495	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H+NH4"	19.041099
"394433"	3200.634018	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+Na"	22.989218
"761870"	4789.456418	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+Na"	22.989218
"1603034"	1611.811618	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Na"	22.989218
"314438"	1600.820647	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+H+Na"	23.996494
"707226"	2395.231847	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+H+Na"	23.996494
"1461413"	806.409447	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H+Na"	23.996494
"1053526"	537.942056666667	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2H+Na"	25.00377
"1257879"	1621.855886	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+CH3OH+H"	33.033486
"378152"	3216.607958	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+K"	38.963158
"739267"	4805.430358	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+K"	38.963158
"1541329"	1627.785558	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+K"	38.963158
"299473"	1608.807617	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+H+K"	39.970434
"692016"	2403.218817	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+H+K"	39.970434
"1446321"	814.396417	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H+K"	39.970434
"236745"	3219.678626	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+ACN+H"	42.033826
"1217366"	1630.856226	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+ACN+H"	42.033826
"1200158"	815.931751	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+ACN+2H"	43.041102
"189745"	3222.61596	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+2Na-H"	44.97116
"631858"	4811.43836	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+2Na-H"	44.97116
"1137187"	1633.79356	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2Na-H"	44.97116
"175738"	1611.811618	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+2Na"	45.978436
"618942"	2406.222818	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+2Na"	45.978436
"1119172"	817.400418	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2Na"	45.978436
"1401967"	545.269370666667	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H+2Na"	46.985712
"1433720"	1635.835146	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H+HCOOH"	47.012746
"221956"	1616.84464	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+3H2O+2H"	56.04448
"1510011"	1649.88719	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+IsoProp+H"	61.06479
"410792"	1619.798588	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+Na+K"	61.952376
"770452"	2414.209788	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+Na+K"	61.952376
"1666094"	825.387388	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Na+K"	61.952376
"252576"	3241.660568	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+ACN+Na"	64.015768
"1226375"	1652.838168	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+ACN+Na"	64.015768
"1713033"	1652.861693	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+NH4+HCOOH"	64.039293
"1179036"	552.596684666667	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+3Na"	68.967654
"1650555"	1657.817088	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Na+HCOOH"	68.994688
"157243"	3254.56384	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+2K-H"	76.91904
"597419"	4843.38624	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+2K-H"	76.91904
"1084438"	1665.74144	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2K-H"	76.91904
"156388"	1627.785558	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"2M+2K"	77.926316
"596678"	2422.196758	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"3M+2K"	77.926316
"1077907"	833.374358	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2K"	77.926316
"1112210"	1667.755992	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2K+H"	78.933592
"1349934"	1667.843607	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+DMSO+H"	79.021207
"1012751"	1671.882776	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2ACN+H"	83.060376
"1535251"	1672.876408	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+IsoProp+Na+H"	84.054008
"1003645"	836.445026	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+2ACN+2H"	84.067652
"1599483"	1673.791028	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+K+HCOOH"	84.968628
"1428422"	1703.822538	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+H+CF3COOH"	115.000138
"1155429"	856.958301	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+3ACN+2H"	125.094202
"1711909"	1720.849085	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+NH4+CF3COOH"	132.026685
"1647561"	1725.80448	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+Na+CF3COOH"	136.98208
"1583939"	1741.77842	"C19854"	"D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C79H130O28P2"	"1588.8224"	"M+K+CF3COOH"	152.95602
"806648"	1412.7903	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M"	0
"976899"	1393.77191	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-H2O-H"	-19.01839
"66232"	940.852924	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M-3H"	-3.021828
"507979"	1411.783024	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M-3H"	-3.021828
"886882"	469.922824	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-3H"	-3.021828
"6553"	1411.783024	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M-2H"	-2.014552
"449395"	2118.178174	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M-2H"	-2.014552
"831093"	705.387874	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-2H"	-2.014552
"92301"	2824.573324	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M-H"	-1.007276
"532954"	4237.363624	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M-H"	-1.007276
"904555"	1411.783024	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-H"	-1.007276
"57837"	2841.599871	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M-2H+NH4"	16.019271
"497397"	4254.390171	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M-2H+NH4"	16.019271
"868641"	1428.809571	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-2H+NH4"	16.019271
"35444"	2846.555266	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M-2H+Na"	20.974666
"475372"	4259.345566	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M-2H+Na"	20.974666
"852811"	1433.764966	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-2H+Na"	20.974666
"1624532"	1433.764966	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Na-2H"	20.974666
"107620"	1429.771363	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M-H+Cl"	33.962126
"547180"	2136.166513	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M-H+Cl"	33.962126
"934134"	723.376213	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-H+Cl"	33.962126
"279255"	2860.550002	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+Cl"	34.969402
"673499"	4273.340302	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+Cl"	34.969402
"1280797"	1447.759702	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Cl"	34.969402
"27729"	2862.529206	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M-2H+K"	36.948606
"466198"	4275.319506	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M-2H+K"	36.948606
"845093"	1449.738906	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-2H+K"	36.948606
"1563111"	1449.738906	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+K-2H"	36.948606
"949903"	1457.788494	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-H+HCOOH"	44.998194
"371401"	2870.578801	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+HCOOH-H"	44.998201
"358568"	2884.594451	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+Hac-H"	59.013851
"1503026"	1471.804151	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Hac-H"	59.013851
"971302"	1479.770451	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-H+NaCOOH"	66.980151
"122402"	1447.759702	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+2Cl"	69.938804
"564879"	2154.154852	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+2Cl"	69.938804
"1035869"	741.364552	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2Cl"	69.938804
"1253982"	1491.709185	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Br"	78.918885
"1316794"	1493.765172	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Cl+HCOOH"	80.974872
"1333928"	1515.747129	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Cl+NaCOOH"	102.956829
"922795"	1525.775886	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M-H+CF3COOH"	112.985586
"1302425"	1561.752564	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Cl+CF3COOH"	148.962264
"1379492"	1377.777624	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H-2H2O"	-35.012676
"1396256"	1395.7876	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H-H2O"	-17.0027
"291567"	2826.587876	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+H"	1.007276
"685082"	4239.378176	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+H"	1.007276
"1355964"	1413.797576	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H"	1.007276
"128851"	1413.797576	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+2H"	2.014552
"567682"	2120.192726	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+2H"	2.014552
"1041586"	707.402426	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2H"	2.014552
"214954"	942.867476	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+3H"	3.021828
"655248"	1413.797576	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+3H"	3.021828
"1176653"	471.937376	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+3H"	3.021828
"432637"	2843.614423	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+NH4"	18.033823
"799098"	4256.404723	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+NH4"	18.033823
"1685588"	1430.824123	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+NH4"	18.033823
"341523"	1422.3108495	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+H+NH4"	19.041099
"731760"	2128.7059995	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+H+NH4"	19.041099
"1485586"	715.9156995	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H+NH4"	19.041099
"396610"	2848.569818	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+Na"	22.989218
"761980"	4261.360118	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+Na"	22.989218
"1603633"	1435.779518	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Na"	22.989218
"314759"	1424.788547	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+H+Na"	23.996494
"708639"	2131.183697	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+H+Na"	23.996494
"1462457"	718.393397	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H+Na"	23.996494
"1053233"	479.26469	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2H+Na"	25.00377
"1258357"	1445.823786	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+CH3OH+H"	33.033486
"378754"	2864.543758	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+K"	38.963158
"739380"	4277.334058	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+K"	38.963158
"1542897"	1451.753458	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+K"	38.963158
"299219"	1432.775517	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+H+K"	39.970434
"692493"	2139.170667	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+H+K"	39.970434
"1447044"	726.380367	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H+K"	39.970434
"236857"	2867.614426	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+ACN+H"	42.033826
"1216747"	1454.824126	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+ACN+H"	42.033826
"1199534"	727.915701	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+ACN+2H"	43.041102
"193497"	2870.55176	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+2Na-H"	44.97116
"633055"	4283.34206	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+2Na-H"	44.97116
"1134006"	1457.76146	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2Na-H"	44.97116
"176938"	1435.779518	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+2Na"	45.978436
"616136"	2142.174668	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+2Na"	45.978436
"1119646"	729.384368	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2Na"	45.978436
"1402442"	486.592004	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H+2Na"	46.985712
"1433831"	1459.803046	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H+HCOOH"	47.012746
"222794"	1440.81254	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+3H2O+2H"	56.04448
"1511579"	1473.85509	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+IsoProp+H"	61.06479
"411995"	1443.766488	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+Na+K"	61.952376
"772263"	2150.161638	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+Na+K"	61.952376
"1668229"	737.371338	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Na+K"	61.952376
"253656"	2889.596368	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+ACN+Na"	64.015768
"1226483"	1476.806068	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+ACN+Na"	64.015768
"1714035"	1476.829593	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+NH4+HCOOH"	64.039293
"1179753"	493.919318	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+3Na"	68.967654
"1650625"	1481.784988	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Na+HCOOH"	68.994688
"157600"	2902.49964	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+2K-H"	76.91904
"597218"	4315.28994	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+2K-H"	76.91904
"1084469"	1489.70934	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2K-H"	76.91904
"155647"	1451.753458	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"2M+2K"	77.926316
"595937"	2158.148608	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"3M+2K"	77.926316
"1078017"	745.358308	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2K"	77.926316
"1112320"	1491.723892	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2K+H"	78.933592
"1350900"	1491.811507	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+DMSO+H"	79.021207
"1010675"	1495.850676	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2ACN+H"	83.060376
"1534268"	1496.844308	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+IsoProp+Na+H"	84.054008
"1003877"	748.428976	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+2ACN+2H"	84.067652
"1601538"	1497.758928	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+K+HCOOH"	84.968628
"1427439"	1527.790438	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+H+CF3COOH"	115.000138
"1156632"	768.942251	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+3ACN+2H"	125.094202
"1711654"	1544.816985	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+NH4+CF3COOH"	132.026685
"1647306"	1549.77238	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+Na+CF3COOH"	136.98208
"1584049"	1565.74632	"C19855"	"D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C73H122O22P2"	"1412.7903"	"M+K+CF3COOH"	152.95602
"804572"	1250.7375	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M"	0
"975916"	1231.71911	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-H2O-H"	-19.01839
"69623"	832.817724	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M-3H"	-3.021828
"506996"	1249.730224	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M-3H"	-3.021828
"880300"	415.905224	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-3H"	-3.021828
"6663"	1249.730224	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M-2H"	-2.014552
"450598"	1875.098974	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M-2H"	-2.014552
"830597"	624.361474	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-2H"	-2.014552
"92411"	2500.467724	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M-H"	-1.007276
"533955"	3751.205224	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M-H"	-1.007276
"902478"	1249.730224	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-H"	-1.007276
"57947"	2517.494271	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M-2H+NH4"	16.019271
"498600"	3768.231771	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M-2H+NH4"	16.019271
"869844"	1266.756771	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-2H+NH4"	16.019271
"36650"	2522.449666	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M-2H+Na"	20.974666
"477305"	3773.187166	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M-2H+Na"	20.974666
"856202"	1271.712166	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-2H+Na"	20.974666
"1632296"	1271.712166	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Na-2H"	20.974666
"106636"	1267.718563	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M-H+Cl"	33.962126
"549112"	1893.087313	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M-H+Cl"	33.962126
"934244"	642.349813	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-H+Cl"	33.962126
"276083"	2536.444402	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+Cl"	34.969402
"669597"	3787.181902	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+Cl"	34.969402
"1279814"	1285.706902	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Cl"	34.969402
"25652"	2538.423606	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M-2H+K"	36.948606
"468494"	3789.161106	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M-2H+K"	36.948606
"843016"	1287.686106	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-2H+K"	36.948606
"1562128"	1287.686106	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+K-2H"	36.948606
"948920"	1295.735694	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-H+HCOOH"	44.998194
"371511"	2546.473201	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+HCOOH-H"	44.998201
"358678"	2560.488851	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+Hac-H"	59.013851
"1503136"	1309.751351	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Hac-H"	59.013851
"971411"	1317.717651	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-H+NaCOOH"	66.980151
"123242"	1285.706902	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+2Cl"	69.938804
"561704"	1911.075652	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+2Cl"	69.938804
"1033783"	660.338152	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2Cl"	69.938804
"1253727"	1329.656385	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Br"	78.918885
"1316175"	1331.712372	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Cl+HCOOH"	80.974872
"1330752"	1353.694329	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Cl+NaCOOH"	102.956829
"924364"	1363.723086	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M-H+CF3COOH"	112.985586
"1296333"	1399.699764	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Cl+CF3COOH"	148.962264
"1374494"	1215.724824	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H-2H2O"	-35.012676
"1395638"	1233.7348	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H-H2O"	-17.0027
"291677"	2502.482276	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+H"	1.007276
"685192"	3753.219776	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+H"	1.007276
"1356074"	1251.744776	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H"	1.007276
"127140"	1251.744776	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+2H"	2.014552
"568157"	1877.113526	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+2H"	2.014552
"1041696"	626.376026	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2H"	2.014552
"212877"	834.832276	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+3H"	3.021828
"652442"	1251.744776	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+3H"	3.021828
"1172389"	417.919776	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+3H"	3.021828
"433840"	2519.508823	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+NH4"	18.033823
"795564"	3770.246323	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+NH4"	18.033823
"1686427"	1268.771323	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+NH4"	18.033823
"338353"	1260.2580495	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+H+NH4"	19.041099
"728590"	1885.6267995	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+H+NH4"	19.041099
"1480225"	634.8892995	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H+NH4"	19.041099
"403280"	2524.464218	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+Na"	22.989218
"762090"	3775.201718	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+Na"	22.989218
"1603379"	1273.726718	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Na"	22.989218
"314989"	1262.735747	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+H+Na"	23.996494
"707898"	1888.104497	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+H+Na"	23.996494
"1461470"	637.366997	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H+Na"	23.996494
"1054601"	425.24709	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2H+Na"	25.00377
"1258832"	1283.770986	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+CH3OH+H"	33.033486
"377446"	2540.438158	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+K"	38.963158
"739859"	3791.175658	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+K"	38.963158
"1546287"	1289.700658	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+K"	38.963158
"299450"	1270.722717	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+H+K"	39.970434
"694791"	1896.091467	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+H+K"	39.970434
"1447519"	645.353967	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H+K"	39.970434
"236847"	2543.508826	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+ACN+H"	42.033826
"1215400"	1292.771326	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+ACN+H"	42.033826
"1198551"	646.889301	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+ACN+2H"	43.041102
"194338"	2546.44616	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+2Na-H"	44.97116
"631708"	3797.18366	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+2Na-H"	44.97116
"1132905"	1295.70866	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2Na-H"	44.97116
"175955"	1273.726718	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+2Na"	45.978436
"618798"	1899.095468	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+2Na"	45.978436
"1121579"	648.357968	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2Na"	45.978436
"1402552"	432.574404	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H+2Na"	46.985712
"1436128"	1297.750246	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H+HCOOH"	47.012746
"221811"	1278.75974	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+3H2O+2H"	56.04448
"1510232"	1311.80229	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+IsoProp+H"	61.06479
"411378"	1281.713688	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+Na+K"	61.952376
"772737"	1907.082438	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+Na+K"	61.952376
"1668340"	656.344938	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Na+K"	61.952376
"254134"	2565.490768	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+ACN+Na"	64.015768
"1228298"	1314.753268	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+ACN+Na"	64.015768
"1715732"	1314.776793	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+NH4+HCOOH"	64.039293
"1178631"	439.901718	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+3Na"	68.967654
"1650493"	1319.732188	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Na+HCOOH"	68.994688
"157593"	2578.39404	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+2K-H"	76.91904
"598373"	3829.13154	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+2K-H"	76.91904
"1085071"	1327.65654	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2K-H"	76.91904
"155757"	1289.700658	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"2M+2K"	77.926316
"594707"	1915.069408	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"3M+2K"	77.926316
"1082501"	664.331908	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2K"	77.926316
"1111336"	1329.671092	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2K+H"	78.933592
"1351131"	1329.758707	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+DMSO+H"	79.021207
"1017346"	1333.797876	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2ACN+H"	83.060376
"1534378"	1334.791508	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+IsoProp+Na+H"	84.054008
"1003989"	667.402576	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+2ACN+2H"	84.067652
"1599704"	1335.706128	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+K+HCOOH"	84.968628
"1426456"	1365.737638	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+H+CF3COOH"	115.000138
"1154556"	687.915851	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+3ACN+2H"	125.094202
"1712130"	1382.764185	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+NH4+CF3COOH"	132.026685
"1648509"	1387.71958	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+Na+CF3COOH"	136.98208
"1584159"	1403.69352	"C19856"	"D-Glc-beta-(1-4)-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C67H112O17P2"	"1250.7375"	"M+K+CF3COOH"	152.95602
"804682"	1750.8752	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M"	0
"974933"	1731.85681	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-H2O-H"	-19.01839
"65360"	1166.24285733333	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M-3H"	-3.021828
"507106"	1749.867924	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M-3H"	-3.021828
"880533"	582.617790666667	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-3H"	-3.021828
"3493"	1749.867924	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M-2H"	-2.014552
"449615"	2625.305524	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M-2H"	-2.014552
"829249"	874.430324	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-2H"	-2.014552
"90699"	3500.743124	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M-H"	-1.007276
"532444"	5251.618324	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M-H"	-1.007276
"909153"	1749.867924	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-H"	-1.007276
"58057"	3517.769671	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M-2H+NH4"	16.019271
"498710"	5268.644871	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M-2H+NH4"	16.019271
"868861"	1766.894471	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-2H+NH4"	16.019271
"36031"	3522.725066	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M-2H+Na"	20.974666
"474863"	5273.600266	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M-2H+Na"	20.974666
"856312"	1771.849866	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-2H+Na"	20.974666
"1629126"	1771.849866	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Na-2H"	20.974666
"104560"	1767.856263	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M-H+Cl"	33.962126
"544120"	2643.293863	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M-H+Cl"	33.962126
"933261"	892.418663	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-H+Cl"	33.962126
"276193"	3536.719802	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+Cl"	34.969402
"669707"	5287.595002	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+Cl"	34.969402
"1278831"	1785.844602	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Cl"	34.969402
"25762"	3538.699006	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M-2H+K"	36.948606
"465325"	5289.574206	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M-2H+K"	36.948606
"844219"	1787.823806	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-2H+K"	36.948606
"1562238"	1787.823806	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+K-2H"	36.948606
"949030"	1795.873394	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-H+HCOOH"	44.998194
"369434"	3546.748601	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+HCOOH-H"	44.998201
"347851"	3560.764251	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+Hac-H"	59.013851
"1501059"	1809.889051	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Hac-H"	59.013851
"972252"	1817.855351	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-H+NaCOOH"	66.980151
"124079"	1785.844602	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+2Cl"	69.938804
"564003"	2661.282202	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+2Cl"	69.938804
"1033894"	910.407002	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2Cl"	69.938804
"1255297"	1829.794085	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Br"	78.918885
"1315554"	1831.850072	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Cl+HCOOH"	80.974872
"1332686"	1853.832029	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Cl+NaCOOH"	102.956829
"925932"	1863.860786	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M-H+CF3COOH"	112.985586
"1293163"	1899.837464	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Cl+CF3COOH"	148.962264
"1369865"	1715.862524	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H-2H2O"	-35.012676
"1387727"	1733.8725	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H-H2O"	-17.0027
"288507"	3502.757676	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+H"	1.007276
"680927"	5253.632876	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+H"	1.007276
"1355089"	1751.882476	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H"	1.007276
"129070"	1751.882476	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+2H"	2.014552
"569726"	2627.320076	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+2H"	2.014552
"1041806"	876.444876	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2H"	2.014552
"209706"	1168.25740933333	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+3H"	3.021828
"652552"	1751.882476	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+3H"	3.021828
"1171406"	584.632342666667	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+3H"	3.021828
"430670"	3519.784223	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+NH4"	18.033823
"792758"	5270.659423	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+NH4"	18.033823
"1687994"	1768.909023	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+NH4"	18.033823
"335183"	1760.3957495	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+H+NH4"	19.041099
"725420"	2635.8333495	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+H+NH4"	19.041099
"1479241"	884.9581495	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H+NH4"	19.041099
"403390"	3524.739618	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+Na"	22.989218
"755638"	5275.614818	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+Na"	22.989218
"1603735"	1773.864418	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Na"	22.989218
"316683"	1762.873447	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+H+Na"	23.996494
"707152"	2638.311047	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+H+Na"	23.996494
"1461315"	887.435847	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H+Na"	23.996494
"1053129"	591.959656666667	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2H+Na"	25.00377
"1259671"	1783.908686	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+CH3OH+H"	33.033486
"377311"	3540.713558	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+K"	38.963158
"738548"	5291.588758	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+K"	38.963158
"1540930"	1789.838358	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+K"	38.963158
"298774"	1770.860417	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+H+K"	39.970434
"691381"	2646.298017	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+H+K"	39.970434
"1445697"	895.422817	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H+K"	39.970434
"236226"	3543.784226	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+ACN+H"	42.033826
"1214049"	1792.909026	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+ACN+H"	42.033826
"1198661"	896.958151	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+ACN+2H"	43.041102
"191531"	3546.72156	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+2Na-H"	44.97116
"631087"	5297.59676	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+2Na-H"	44.97116
"1132893"	1795.84636	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2Na-H"	44.97116
"176065"	1773.864418	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+2Na"	45.978436
"615992"	2649.302018	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+2Na"	45.978436
"1117310"	898.426818	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2Na"	45.978436
"1401199"	599.286970666667	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H+2Na"	46.985712
"1435143"	1797.887946	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H+HCOOH"	47.012746
"221187"	1778.89744	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+3H2O+2H"	56.04448
"1509979"	1811.93999	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+IsoProp+H"	61.06479
"409421"	1781.851388	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+Na+K"	61.952376
"772116"	2657.288988	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+Na+K"	61.952376
"1668447"	906.413788	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Na+K"	61.952376
"253512"	3565.766168	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+ACN+Na"	64.015768
"1226298"	1814.890968	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+ACN+Na"	64.015768
"1712818"	1814.914493	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+NH4+HCOOH"	64.039293
"1178476"	606.614284666667	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+3Na"	68.967654
"1650397"	1819.869888	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Na+HCOOH"	68.994688
"157377"	3578.66944	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+2K-H"	76.91904
"597347"	5329.54464	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+2K-H"	76.91904
"1084402"	1827.79424	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2K-H"	76.91904
"156351"	1789.838358	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"2M+2K"	77.926316
"592630"	2665.275958	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"3M+2K"	77.926316
"1081517"	914.400758	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2K"	77.926316
"1110353"	1829.808792	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2K+H"	78.933592
"1351272"	1829.896407	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+DMSO+H"	79.021207
"1017456"	1833.935576	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2ACN+H"	83.060376
"1534488"	1834.929208	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+IsoProp+Na+H"	84.054008
"1005069"	917.471426	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+2ACN+2H"	84.067652
"1600786"	1835.843828	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+K+HCOOH"	84.968628
"1424379"	1865.875338	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+H+CF3COOH"	115.000138
"1154666"	937.984701	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+3ACN+2H"	125.094202
"1709687"	1882.901885	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+NH4+CF3COOH"	132.026685
"1648255"	1887.85728	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+Na+CF3COOH"	136.98208
"1584269"	1903.83122	"C19857"	"D-Man-beta-(1-4)-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C85H140O33P2"	"1750.8752"	"M+K+CF3COOH"	152.95602
"808076"	444.3967	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M"	0
"986721"	425.37831	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-H2O-H"	-19.01839
"75330"	295.257190666667	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M-3H"	-3.021828
"513793"	443.389424	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M-3H"	-3.021828
"890504"	147.124957333333	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-3H"	-3.021828
"4707"	443.389424	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M-2H"	-2.014552
"444263"	665.587774	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M-2H"	-2.014552
"826444"	221.191074	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-2H"	-2.014552
"89712"	887.786124	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M-H"	-1.007276
"533407"	1332.182824	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M-H"	-1.007276
"903796"	443.389424	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-H"	-1.007276
"54890"	904.812671	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M-2H+NH4"	16.019271
"501009"	1349.209371	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M-2H+NH4"	16.019271
"874436"	460.415971	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-2H+NH4"	16.019271
"45497"	909.768066	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M-2H+Na"	20.974666
"478618"	1354.164766	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M-2H+Na"	20.974666
"853501"	465.371366	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-2H+Na"	20.974666
"1621575"	465.371366	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Na-2H"	20.974666
"99202"	461.377763	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M-H+Cl"	33.962126
"543138"	683.576113	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M-H+Cl"	33.962126
"934471"	239.179413	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-H+Cl"	33.962126
"276305"	923.762802	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+Cl"	34.969402
"668730"	1368.159502	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+Cl"	34.969402
"1278944"	479.366102	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Cl"	34.969402
"22594"	925.742006	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M-2H+K"	36.948606
"464345"	1370.138706	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M-2H+K"	36.948606
"842148"	481.345306	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-2H+K"	36.948606
"1557980"	481.345306	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+K-2H"	36.948606
"952426"	489.394894	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-H+HCOOH"	44.998194
"366268"	933.791601	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+HCOOH-H"	44.998201
"355619"	947.807251	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+Hac-H"	59.013851
"1504453"	503.410551	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Hac-H"	59.013851
"968714"	511.376851	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-H+NaCOOH"	66.980151
"116528"	479.366102	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+2Cl"	69.938804
"563745"	701.564452	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+2Cl"	69.938804
"1034372"	257.167752	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2Cl"	69.938804
"1253216"	523.315585	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Br"	78.918885
"1309103"	525.371572	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Cl+HCOOH"	80.974872
"1328786"	547.353529	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Cl+NaCOOH"	102.956829
"916563"	557.382286	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M-H+CF3COOH"	112.985586
"1292179"	593.358964	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Cl+CF3COOH"	148.962264
"1372525"	409.384024	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H-2H2O"	-35.012676
"1388930"	427.394	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H-H2O"	-17.0027
"286061"	889.800676	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+H"	1.007276
"679577"	1334.197376	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+H"	1.007276
"1355200"	445.403976	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H"	1.007276
"133198"	445.403976	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+2H"	2.014552
"574217"	667.602326	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+2H"	2.014552
"1043015"	223.205626	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2H"	2.014552
"212009"	297.271742666667	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+3H"	3.021828
"648288"	445.403976	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+3H"	3.021828
"1168604"	149.139509333333	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+3H"	3.021828
"426408"	906.827223	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+NH4"	18.033823
"787036"	1351.223923	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+NH4"	18.033823
"1683368"	462.430523	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+NH4"	18.033823
"331278"	453.9172495	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+H+NH4"	19.041099
"724188"	676.1155995	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+H+NH4"	19.041099
"1478735"	231.7188995	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H+NH4"	19.041099
"393768"	911.782618	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+Na"	22.989218
"755011"	1356.179318	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+Na"	22.989218
"1602984"	467.385918	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Na"	22.989218
"318614"	456.394947	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+H+Na"	23.996494
"707382"	678.593297	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+H+Na"	23.996494
"1463034"	234.196597	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H+Na"	23.996494
"1055550"	156.466823333333	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2H+Na"	25.00377
"1257177"	477.430186	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+CH3OH+H"	33.033486
"377331"	927.756558	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+K"	38.963158
"741541"	1372.153258	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+K"	38.963158
"1540315"	483.359858	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+K"	38.963158
"299677"	464.381917	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+H+K"	39.970434
"691737"	686.580267	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+H+K"	39.970434
"1447380"	242.183567	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H+K"	39.970434
"237806"	930.827226	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+ACN+H"	42.033826
"1213068"	486.430526	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+ACN+H"	42.033826
"1195491"	243.718901	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+ACN+2H"	43.041102
"192010"	933.76456	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+2Na-H"	44.97116
"637403"	1378.16126	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+2Na-H"	44.97116
"1135076"	489.36786	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2Na-H"	44.97116
"174840"	467.385918	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+2Na"	45.978436
"614766"	689.584268	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+2Na"	45.978436
"1117542"	245.187568	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2Na"	45.978436
"1400942"	163.794137333333	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H+2Na"	46.985712
"1431962"	491.409446	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H+HCOOH"	47.012746
"221296"	472.41894	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+3H2O+2H"	56.04448
"1509242"	505.46149	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+IsoProp+H"	61.06479
"410504"	475.372888	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+Na+K"	61.952376
"770773"	697.571238	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+Na+K"	61.952376
"1666737"	253.174538	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Na+K"	61.952376
"252890"	952.809168	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+ACN+Na"	64.015768
"1226331"	508.412468	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+ACN+Na"	64.015768
"1713522"	508.435993	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+NH4+HCOOH"	64.039293
"1190068"	171.121451333333	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+3Na"	68.967654
"1658869"	513.391388	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Na+HCOOH"	68.994688
"172293"	965.71244	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+2K-H"	76.91904
"608570"	1410.10914	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+2K-H"	76.91904
"1090896"	521.31574	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2K-H"	76.91904
"150991"	483.359858	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"2M+2K"	77.926316
"591648"	705.558208	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"3M+2K"	77.926316
"1076160"	261.161508	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2K"	77.926316
"1110462"	523.330292	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2K+H"	78.933592
"1344661"	523.417907	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+DMSO+H"	79.021207
"1014284"	527.457076	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2ACN+H"	83.060376
"1531318"	528.450708	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+IsoProp+Na+H"	84.054008
"1004326"	264.232176	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+2ACN+2H"	84.067652
"1596644"	529.365328	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+K+HCOOH"	84.968628
"1421209"	559.396838	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+H+CF3COOH"	115.000138
"1155873"	284.745451	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+3ACN+2H"	125.094202
"1701051"	576.423385	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+NH4+CF3COOH"	132.026685
"1639983"	581.37878	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+Na+CF3COOH"	136.98208
"1574542"	597.35272	"C19863"	"Lupan-3beta20-diol;3beta20-Dihydroxylupane;Monogynol A"	"C30H52O2"	"444.3967"	"M+K+CF3COOH"	152.95602
"804906"	390.079	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M"	0
"989018"	371.06061	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H2O-H"	-19.01839
"77261"	259.045390666667	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-3H"	-3.021828
"512810"	389.071724	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-3H"	-3.021828
"892801"	129.019057333333	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-3H"	-3.021828
"10283"	389.071724	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H"	-2.014552
"448751"	584.111224	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H"	-2.014552
"819993"	194.032224	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H"	-2.014552
"88368"	779.150724	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-H"	-1.007276
"529021"	1169.229724	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-H"	-1.007276
"902815"	389.071724	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H"	-1.007276
"55001"	796.177271	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H+NH4"	16.019271
"497840"	1186.256271	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H+NH4"	16.019271
"876742"	406.098271	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H+NH4"	16.019271
"41356"	801.132666	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H+Na"	20.974666
"474356"	1191.211666	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H+Na"	20.974666
"853249"	411.053666	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H+Na"	20.974666
"1621689"	411.053666	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na-2H"	20.974666
"104780"	407.060063	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-H+Cl"	33.962126
"539968"	602.099563	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-H+Cl"	33.962126
"933490"	212.020563	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+Cl"	33.962126
"273140"	815.127402	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Cl"	34.969402
"668841"	1205.206402	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+Cl"	34.969402
"1283431"	425.048402	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl"	34.969402
"23798"	817.106606	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M-2H+K"	36.948606
"464452"	1207.185606	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M-2H+K"	36.948606
"842255"	427.027606	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-2H+K"	36.948606
"1561373"	427.027606	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K-2H"	36.948606
"945974"	435.077194	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+HCOOH"	44.998194
"366379"	825.156201	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+HCOOH-H"	44.998201
"352449"	839.171851	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Hac-H"	59.013851
"1504931"	449.092851	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Hac-H"	59.013851
"969919"	457.059151	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+NaCOOH"	66.980151
"121012"	425.048402	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2Cl"	69.938804
"563491"	620.087902	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2Cl"	69.938804
"1034475"	230.008902	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2Cl"	69.938804
"1252233"	468.997885	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Br"	78.918885
"1312494"	471.053872	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl+HCOOH"	80.974872
"1331083"	493.035829	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl+NaCOOH"	102.956829
"919955"	503.064586	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M-H+CF3COOH"	112.985586
"1296664"	539.041264	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Cl+CF3COOH"	148.962264
"1378105"	355.066324	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H-2H2O"	-35.012676
"1387947"	373.0763	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H-H2O"	-17.0027
"285079"	781.165276	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H"	1.007276
"683335"	1171.244276	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H"	1.007276
"1361872"	391.086276	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H"	1.007276
"136225"	391.086276	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2H"	2.014552
"576513"	586.125776	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2H"	2.014552
"1044219"	196.046776	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2H"	2.014552
"212119"	261.059942666667	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+3H"	3.021828
"652773"	391.086276	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+3H"	3.021828
"1169807"	131.033609333333	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+3H"	3.021828
"433811"	798.191823	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+NH4"	18.033823
"787517"	1188.270823	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+NH4"	18.033823
"1683114"	408.112823	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+NH4"	18.033823
"333219"	399.5995495	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H+NH4"	19.041099
"723818"	594.6390495	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H+NH4"	19.041099
"1478359"	204.5600495	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+NH4"	19.041099
"394487"	803.147218	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Na"	22.989218
"759138"	1193.226218	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+Na"	22.989218
"1605772"	413.068218	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na"	22.989218
"319454"	402.077247	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H+Na"	23.996494
"711876"	597.116747	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H+Na"	23.996494
"1463508"	207.037747	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+Na"	23.996494
"1055660"	138.360923333333	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2H+Na"	25.00377
"1260620"	423.112486	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+CH3OH+H"	33.033486
"379924"	819.121158	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+K"	38.963158
"742381"	1209.200158	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+K"	38.963158
"1541155"	429.042158	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K"	38.963158
"300151"	410.064217	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+H+K"	39.970434
"691384"	605.103717	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+H+K"	39.970434
"1446072"	215.024717	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+K"	39.970434
"238279"	822.191826	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+ACN+H"	42.033826
"1212081"	432.112826	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+ACN+H"	42.033826
"1195966"	216.560051	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+ACN+2H"	43.041102
"189240"	825.12916	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2Na-H"	44.97116
"629489"	1215.20816	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2Na-H"	44.97116
"1135186"	435.05016	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2Na-H"	44.97116
"174951"	413.068218	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2Na"	45.978436
"613783"	608.107718	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2Na"	45.978436
"1117530"	218.028718	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2Na"	45.978436
"1400082"	145.688237333333	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+2Na"	46.985712
"1431706"	437.091746	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+HCOOH"	47.012746
"221771"	418.10124	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+3H2O+2H"	56.04448
"1508597"	451.14379	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+IsoProp+H"	61.06479
"410253"	421.055188	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+Na+K"	61.952376
"771976"	616.094688	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+Na+K"	61.952376
"1666966"	226.015688	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na+K"	61.952376
"253001"	844.173768	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+ACN+Na"	64.015768
"1225638"	454.094768	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+ACN+Na"	64.015768
"1712743"	454.118293	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+NH4+HCOOH"	64.039293
"1191271"	153.015551333333	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+3Na"	68.967654
"1665382"	459.073688	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na+HCOOH"	68.994688
"172405"	857.07704	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2K-H"	76.91904
"609772"	1247.15604	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2K-H"	76.91904
"1093191"	466.99804	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2K-H"	76.91904
"147824"	429.042158	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"2M+2K"	77.926316
"591754"	624.081658	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"3M+2K"	77.926316
"1080644"	234.002658	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2K"	77.926316
"1111663"	469.012592	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2K+H"	78.933592
"1345862"	469.100207	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+DMSO+H"	79.021207
"1016581"	473.139376	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2ACN+H"	83.060376
"1534708"	474.133008	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+IsoProp+Na+H"	84.054008
"1004315"	237.073326	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+2ACN+2H"	84.067652
"1594567"	475.047628	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K+HCOOH"	84.968628
"1421319"	505.079138	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+H+CF3COOH"	115.000138
"1158170"	257.586601	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+3ACN+2H"	125.094202
"1700068"	522.105685	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+NH4+CF3COOH"	132.026685
"1643374"	527.06108	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+Na+CF3COOH"	136.98208
"1584493"	543.03502	"C19864"	"trans-Permethrin"	"C21H20Cl2O3"	"390.079"	"M+K+CF3COOH"	152.95602
"808296"	796.4609	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M"	0
"989247"	777.44251	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-H2O-H"	-19.01839
"73357"	529.966657333333	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M-3H"	-3.021828
"514013"	795.453624	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M-3H"	-3.021828
"892909"	264.479690666667	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-3H"	-3.021828
"11487"	795.453624	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M-2H"	-2.014552
"441205"	1193.684074	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M-2H"	-2.014552
"826663"	397.223174	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-2H"	-2.014552
"88841"	1591.914524	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M-H"	-1.007276
"528402"	2388.375424	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M-H"	-1.007276
"900737"	795.453624	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-H"	-1.007276
"57298"	1608.941071	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M-2H+NH4"	16.019271
"497950"	2405.401971	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M-2H+NH4"	16.019271
"875751"	812.480171	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-2H+NH4"	16.019271
"33447"	1613.896466	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M-2H+Na"	20.974666
"475559"	2410.357366	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M-2H+Na"	20.974666
"853358"	817.435566	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-2H+Na"	20.974666
"1622892"	817.435566	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Na-2H"	20.974666
"99422"	813.441963	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M-H+Cl"	33.962126
"540078"	1211.672413	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M-H+Cl"	33.962126
"933600"	415.211513	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-H+Cl"	33.962126
"277622"	1627.891202	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+Cl"	34.969402
"666764"	2424.352102	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+Cl"	34.969402
"1283541"	831.430302	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Cl"	34.969402
"23908"	1629.870406	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M-2H+K"	36.948606
"464563"	2426.331306	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M-2H+K"	36.948606
"842365"	833.409506	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-2H+K"	36.948606
"1561483"	833.409506	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+K-2H"	36.948606
"949363"	841.459094	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-H+HCOOH"	44.998194
"368673"	1637.920001	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+HCOOH-H"	44.998201
"354744"	1651.935651	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+Hac-H"	59.013851
"1504670"	855.474751	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Hac-H"	59.013851
"966744"	863.441051	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-H+NaCOOH"	66.980151
"117841"	831.430302	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+2Cl"	69.938804
"561777"	1229.660752	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+2Cl"	69.938804
"1033855"	433.199852	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2Cl"	69.938804
"1252343"	875.379785	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Br"	78.918885
"1315884"	877.435772	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Cl+HCOOH"	80.974872
"1332286"	899.417729	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Cl+NaCOOH"	102.956829
"916784"	909.446486	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M-H+CF3COOH"	112.985586
"1294586"	945.423164	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Cl+CF3COOH"	148.962264
"1377122"	761.448224	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H-2H2O"	-35.012676
"1385870"	779.4582	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H-H2O"	-17.0027
"289930"	1593.929076	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+H"	1.007276
"685633"	2390.389976	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+H"	1.007276
"1361254"	797.468176	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H"	1.007276
"133780"	797.468176	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+2H"	2.014552
"576258"	1195.698626	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+2H"	2.014552
"1043234"	399.237726	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2H"	2.014552
"212229"	531.981209333333	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+3H"	3.021828
"652883"	797.468176	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+3H"	3.021828
"1168824"	266.494242666667	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+3H"	3.021828
"437201"	1610.955623	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+NH4"	18.033823
"793094"	2407.416523	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+NH4"	18.033823
"1683955"	814.494723	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+NH4"	18.033823
"332237"	805.9814495	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+H+NH4"	19.041099
"723318"	1204.2118995	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+H+NH4"	19.041099
"1480657"	407.7509995	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H+NH4"	19.041099
"396056"	1615.911018	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+Na"	22.989218
"760341"	2412.371918	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+Na"	22.989218
"1605522"	819.450118	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Na"	22.989218
"315431"	808.459147	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+H+Na"	23.996494
"710893"	1206.689597	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+H+Na"	23.996494
"1464713"	410.228697	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H+Na"	23.996494
"1055406"	273.821556666667	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2H+Na"	25.00377
"1258666"	829.494386	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+CH3OH+H"	33.033486
"380400"	1631.884958	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+K"	38.963158
"743583"	2428.345858	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+K"	38.963158
"1542722"	835.424058	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+K"	38.963158
"301355"	816.446117	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+H+K"	39.970434
"692685"	1214.676567	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+H+K"	39.970434
"1446504"	418.215667	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H+K"	39.970434
"236932"	1634.955626	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+ACN+H"	42.033826
"1211827"	838.494726	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+ACN+H"	42.033826
"1196441"	419.751001	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+ACN+2H"	43.041102
"193685"	1637.89296	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+2Na-H"	44.97116
"629598"	2434.35386	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+2Na-H"	44.97116
"1138941"	841.43206	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2Na-H"	44.97116
"177856"	819.450118	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+2Na"	45.978436
"615232"	1217.680568	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+2Na"	45.978436
"1118736"	421.219668	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2Na"	45.978436
"1403353"	281.148870666667	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H+2Na"	46.985712
"1432910"	843.473646	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H+HCOOH"	47.012746
"221155"	824.48314	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+3H2O+2H"	56.04448
"1511046"	857.52569	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+IsoProp+H"	61.06479
"410004"	827.437088	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+Na+K"	61.952376
"770064"	1225.667538	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+Na+K"	61.952376
"1667320"	429.206638	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Na+K"	61.952376
"254569"	1656.937568	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+ACN+Na"	64.015768
"1227643"	860.476668	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+ACN+Na"	64.015768
"1714713"	860.500193	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+NH4+HCOOH"	64.039293
"1192473"	288.476184666667	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+3Na"	68.967654
"1664438"	865.455588	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Na+HCOOH"	68.994688
"170694"	1669.84084	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+2K-H"	76.91904
"608789"	2466.30174	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+2K-H"	76.91904
"1093301"	873.37994	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2K-H"	76.91904
"150121"	835.424058	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"2M+2K"	77.926316
"592957"	1233.654508	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"3M+2K"	77.926316
"1079661"	437.193608	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2K"	77.926316
"1109587"	875.394492	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2K+H"	78.933592
"1348160"	875.482107	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+DMSO+H"	79.021207
"1017784"	879.521276	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2ACN+H"	83.060376
"1534817"	880.514908	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+IsoProp+Na+H"	84.054008
"1005398"	440.264276	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+2ACN+2H"	84.067652
"1600144"	881.429528	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+K+HCOOH"	84.968628
"1421428"	911.461038	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+H+CF3COOH"	115.000138
"1154998"	460.777551	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+3ACN+2H"	125.094202
"1705644"	928.487585	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+NH4+CF3COOH"	132.026685
"1640204"	933.44298	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+Na+CF3COOH"	136.98208
"1584603"	949.41692	"C19865"	"Soyasaponin III"	"C42H68O14"	"796.4609"	"M+K+CF3COOH"	152.95602
"805128"	490.2203	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M"	0
"988506"	471.20191	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-H2O-H"	-19.01839
"69093"	325.806257333333	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M-3H"	-3.021828
"515216"	489.213024	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M-3H"	-3.021828
"894843"	162.399490666667	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-3H"	-3.021828
"6124"	489.213024	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M-2H"	-2.014552
"450063"	734.323174	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M-2H"	-2.014552
"824585"	244.102874	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-2H"	-2.014552
"90414"	979.433324	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M-H"	-1.007276
"528512"	1469.653624	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M-H"	-1.007276
"905953"	489.213024	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-H"	-1.007276
"51941"	996.459871	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M-2H+NH4"	16.019271
"492594"	1486.680171	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M-2H+NH4"	16.019271
"874770"	506.239571	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-2H+NH4"	16.019271
"33314"	1001.415266	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M-2H+Na"	20.974666
"476032"	1491.635566	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M-2H+Na"	20.974666
"851280"	511.194966	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-2H+Na"	20.974666
"1627376"	511.194966	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Na-2H"	20.974666
"99532"	507.201363	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M-H+Cl"	33.962126
"543470"	752.311513	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M-H+Cl"	33.962126
"940270"	262.091213	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-H+Cl"	33.962126
"279918"	1015.410002	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+Cl"	34.969402
"673432"	1505.630302	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+Cl"	34.969402
"1285110"	525.189702	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Cl"	34.969402
"22925"	1017.389206	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M-2H+K"	36.948606
"467952"	1507.609506	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M-2H+K"	36.948606
"843570"	527.168906	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-2H+K"	36.948606
"1565965"	527.168906	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+K-2H"	36.948606
"949475"	535.218494	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-H+HCOOH"	44.998194
"366597"	1025.438801	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+HCOOH-H"	44.998201
"357041"	1039.454451	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+Hac-H"	59.013851
"1503687"	549.234151	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Hac-H"	59.013851
"965761"	557.200451	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-H+NaCOOH"	66.980151
"119043"	525.189702	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+2Cl"	69.938804
"563713"	770.299852	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+2Cl"	69.938804
"1033606"	280.079552	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2Cl"	69.938804
"1253546"	569.139185	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Br"	78.918885
"1313808"	571.195172	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Cl+HCOOH"	80.974872
"1330211"	593.177129	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Cl+NaCOOH"	102.956829
"920174"	603.205886	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M-H+CF3COOH"	112.985586
"1297977"	639.182564	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Cl+CF3COOH"	148.962264
"1377232"	455.207624	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H-2H2O"	-35.012676
"1385980"	473.2176	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H-H2O"	-17.0027
"290040"	981.447876	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+H"	1.007276
"682462"	1471.668176	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+H"	1.007276
"1362459"	491.227576	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H"	1.007276
"136076"	491.227576	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+2H"	2.014552
"577825"	736.337726	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+2H"	2.014552
"1049905"	246.117426	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2H"	2.014552
"215253"	327.820809333333	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+3H"	3.021828
"649710"	491.227576	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+3H"	3.021828
"1172216"	164.414042666667	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+3H"	3.021828
"426133"	998.474423	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+NH4"	18.033823
"789926"	1488.694723	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+NH4"	18.033823
"1684065"	508.254123	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+NH4"	18.033823
"330071"	499.7408495	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+H+NH4"	19.041099
"724038"	744.8509995	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+H+NH4"	19.041099
"1479672"	254.6306995	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H+NH4"	19.041099
"398363"	1003.429818	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+Na"	22.989218
"759357"	1493.650118	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+Na"	22.989218
"1604170"	513.209518	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Na"	22.989218
"314570"	502.218547	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+H+Na"	23.996494
"708208"	747.328697	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+H+Na"	23.996494
"1465187"	257.108397	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H+Na"	23.996494
"1054422"	171.741356666667	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2H+Na"	25.00377
"1260843"	523.253786	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+CH3OH+H"	33.033486
"380874"	1019.403758	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+K"	38.963158
"742964"	1509.624058	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+K"	38.963158
"1545018"	529.183458	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+K"	38.963158
"302195"	510.205517	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+H+K"	39.970434
"693890"	755.315667	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+H+K"	39.970434
"1448437"	265.095367	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H+K"	39.970434
"239960"	1022.474426	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+ACN+H"	42.033826
"1213030"	532.254126	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+ACN+H"	42.033826
"1199102"	266.630701	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+ACN+2H"	43.041102
"193796"	1025.41176	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+2Na-H"	44.97116
"634085"	1515.63206	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+2Na-H"	44.97116
"1135768"	535.19146	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2Na-H"	44.97116
"176141"	513.209518	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+2Na"	45.978436
"616070"	758.319668	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+2Na"	45.978436
"1122127"	268.099368	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2Na"	45.978436
"1403463"	179.068670666667	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H+2Na"	46.985712
"1432051"	537.233046	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H+HCOOH"	47.012746
"221990"	518.24254	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+3H2O+2H"	56.04448
"1512613"	551.28509	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+IsoProp+H"	61.06479
"410471"	521.196488	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+Na+K"	61.952376
"771831"	766.306638	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+Na+K"	61.952376
"1668159"	276.086338	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Na+K"	61.952376
"255042"	1044.456368	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+ACN+Na"	64.015768
"1227390"	554.236068	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+ACN+Na"	64.015768
"1713730"	554.259593	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+NH4+HCOOH"	64.039293
"1192222"	186.395984666667	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+3Na"	68.967654
"1660294"	559.214988	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Na+HCOOH"	68.994688
"170430"	1057.35964	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+2K-H"	76.91904
"607805"	1547.57994	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+2K-H"	76.91904
"1097420"	567.13934	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2K-H"	76.91904
"150231"	529.183458	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"2M+2K"	77.926316
"591978"	774.293608	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"3M+2K"	77.926316
"1080864"	284.073308	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2K"	77.926316
"1111882"	569.153892	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2K+H"	78.933592
"1348270"	569.241507	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+DMSO+H"	79.021207
"1016800"	573.280676	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2ACN+H"	83.060376
"1538208"	574.274308	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+IsoProp+Na+H"	84.054008
"1000283"	287.143976	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+2ACN+2H"	84.067652
"1601347"	575.188928	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+K+HCOOH"	84.968628
"1420446"	605.220438	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+H+CF3COOH"	115.000138
"1161308"	307.657251	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+3ACN+2H"	125.094202
"1705754"	622.246985	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+NH4+CF3COOH"	132.026685
"1643592"	627.20238	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+Na+CF3COOH"	136.98208
"1578153"	643.17632	"C19867"	"beta-D-Glucosyl crocetin"	"C26H34O9"	"490.2203"	"M+K+CF3COOH"	152.95602
"805238"	652.2731	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M"	0
"988616"	633.25471	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-H2O-H"	-19.01839
"71390"	433.841457333333	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M-3H"	-3.021828
"515325"	651.265824	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M-3H"	-3.021828
"895194"	216.417090666667	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-3H"	-3.021828
"10612"	651.265824	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M-2H"	-2.014552
"451264"	977.402374	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M-2H"	-2.014552
"826882"	325.129274	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-2H"	-2.014552
"92342"	1303.538924	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M-H"	-1.007276
"530447"	1955.812024	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M-H"	-1.007276
"907155"	651.265824	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-H"	-1.007276
"55332"	1320.565471	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M-2H+NH4"	16.019271
"495984"	1972.838571	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M-2H+NH4"	16.019271
"876340"	668.292371	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-2H+NH4"	16.019271
"35126"	1325.520866	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M-2H+Na"	20.974666
"475412"	1977.793966	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M-2H+Na"	20.974666
"854671"	673.247766	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-2H+Na"	20.974666
"1627488"	673.247766	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Na-2H"	20.974666
"96362"	669.254163	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M-H+Cl"	33.962126
"543579"	995.390713	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M-H+Cl"	33.962126
"940018"	343.117613	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-H+Cl"	33.962126
"277841"	1339.515602	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+Cl"	34.969402
"673542"	1991.788702	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+Cl"	34.969402
"1285588"	687.242502	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Cl"	34.969402
"24128"	1341.494806	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M-2H+K"	36.948606
"464782"	1993.767906	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M-2H+K"	36.948606
"841493"	689.221706	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-2H+K"	36.948606
"1567168"	689.221706	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+K-2H"	36.948606
"949585"	697.271294	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-H+HCOOH"	44.998194
"366707"	1349.544401	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+HCOOH-H"	44.998201
"357151"	1363.560051	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+Hac-H"	59.013851
"1503797"	711.286951	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Hac-H"	59.013851
"966964"	719.253251	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-H+NaCOOH"	66.980151
"119153"	687.242502	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+2Cl"	69.938804
"563823"	1013.379052	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+2Cl"	69.938804
"1034445"	361.105952	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2Cl"	69.938804
"1251469"	731.191985	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Br"	78.918885
"1311731"	733.247972	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Cl+HCOOH"	80.974872
"1331414"	755.229929	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Cl+NaCOOH"	102.956829
"923564"	765.258686	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M-H+CF3COOH"	112.985586
"1298087"	801.235364	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Cl+CF3COOH"	148.962264
"1376249"	617.260424	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H-2H2O"	-35.012676
"1386454"	635.2704	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H-H2O"	-17.0027
"289057"	1305.553476	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+H"	1.007276
"681479"	1957.826576	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+H"	1.007276
"1363298"	653.280376	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H"	1.007276
"137281"	653.280376	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+2H"	2.014552
"573559"	979.416926	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+2H"	2.014552
"1044546"	327.143826	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2H"	2.014552
"212447"	435.856009333333	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+3H"	3.021828
"647634"	653.280376	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+3H"	3.021828
"1170139"	218.431642666667	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+3H"	3.021828
"426486"	1322.580023	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+NH4"	18.033823
"793316"	1974.853123	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+NH4"	18.033823
"1684540"	670.306923	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+NH4"	18.033823
"331118"	661.7936495	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+H+NH4"	19.041099
"724634"	987.9301995	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+H+NH4"	19.041099
"1478447"	335.6570995	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H+NH4"	19.041099
"399566"	1327.535418	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+Na"	22.989218
"757280"	1979.808518	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+Na"	22.989218
"1603793"	675.262318	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Na"	22.989218
"315044"	664.271347	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+H+Na"	23.996494
"708561"	990.407897	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+H+Na"	23.996494
"1462745"	338.134797	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H+Na"	23.996494
"1053798"	225.758956666667	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2H+Na"	25.00377
"1260954"	685.306586	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+CH3OH+H"	33.033486
"379891"	1343.509358	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+K"	38.963158
"740159"	1995.782458	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+K"	38.963158
"1542942"	691.236258	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+K"	38.963158
"303399"	672.258317	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+H+K"	39.970434
"694728"	998.394867	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+H+K"	39.970434
"1447089"	346.121767	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H+K"	39.970434
"238977"	1346.580026	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+ACN+H"	42.033826
"1211683"	694.306926	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+ACN+H"	42.033826
"1197755"	347.657101	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+ACN+2H"	43.041102
"193177"	1349.51736	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+2Na-H"	44.97116
"633468"	2001.79046	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+2Na-H"	44.97116
"1139160"	697.24426	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2Na-H"	44.97116
"181356"	675.262318	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+2Na"	45.978436
"615452"	1001.398868	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+2Na"	45.978436
"1117132"	349.125768	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2Na"	45.978436
"1400414"	233.086270666667	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H+2Na"	46.985712
"1432410"	699.285846	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H+HCOOH"	47.012746
"221007"	680.29534	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+3H2O+2H"	56.04448
"1510534"	713.33789	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+IsoProp+H"	61.06479
"413137"	683.249288	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+Na+K"	61.952376
"771572"	1009.385838	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+Na+K"	61.952376
"1667177"	357.112738	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Na+K"	61.952376
"252363"	1368.561968	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+ACN+Na"	64.015768
"1227863"	716.288868	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+ACN+Na"	64.015768
"1713476"	716.312393	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+NH4+HCOOH"	64.039293
"1192332"	240.413584666667	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+3Na"	68.967654
"1660404"	721.267788	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Na+HCOOH"	68.994688
"170540"	1381.46524	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+2K-H"	76.91904
"610102"	2033.73834	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+2K-H"	76.91904
"1099111"	729.19214	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2K-H"	76.91904
"155808"	691.236258	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"2M+2K"	77.926316
"592088"	1017.372808	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"3M+2K"	77.926316
"1080974"	365.099708	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2K"	77.926316
"1111992"	731.206692	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2K+H"	78.933592
"1348989"	731.294307	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+DMSO+H"	79.021207
"1019948"	735.333476	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2ACN+H"	83.060376
"1539290"	736.327108	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+IsoProp+Na+H"	84.054008
"1002219"	368.170376	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+2ACN+2H"	84.067652
"1599273"	737.241728	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+K+HCOOH"	84.968628
"1429304"	767.273238	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+H+CF3COOH"	115.000138
"1159595"	388.683651	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+3ACN+2H"	125.094202
"1708051"	784.299785	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+NH4+CF3COOH"	132.026685
"1645889"	789.25518	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+Na+CF3COOH"	136.98208
"1574983"	805.22912	"C19868"	"Bis(beta-D-glucosyl) crocetin;Crocetin diglucosyl ester"	"C32H44O14"	"652.2731"	"M+K+CF3COOH"	152.95602
"808628"	652.2731	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M"	0
"989551"	633.25471	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-H2O-H"	-19.01839
"72593"	433.841457333333	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M-3H"	-3.021828
"516529"	651.265824	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M-3H"	-3.021828
"895183"	216.417090666667	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-3H"	-3.021828
"10722"	651.265824	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M-2H"	-2.014552
"451377"	977.402374	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M-2H"	-2.014552
"832095"	325.129274	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-2H"	-2.014552
"92088"	1303.538924	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M-H"	-1.007276
"529465"	1955.812024	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M-H"	-1.007276
"906903"	651.265824	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-H"	-1.007276
"57630"	1320.565471	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M-2H+NH4"	16.019271
"501561"	1972.838571	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M-2H+NH4"	16.019271
"877178"	668.292371	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-2H+NH4"	16.019271
"36330"	1325.520866	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M-2H+Na"	20.974666
"482447"	1977.793966	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M-2H+Na"	20.974666
"856967"	673.247766	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-2H+Na"	20.974666
"1627597"	673.247766	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Na-2H"	20.974666
"99752"	669.254163	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M-H+Cl"	33.962126
"543689"	995.390713	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M-H+Cl"	33.962126
"940128"	343.117613	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-H+Cl"	33.962126
"280506"	1339.515602	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+Cl"	34.969402
"673652"	1991.788702	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+Cl"	34.969402
"1285331"	687.242502	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Cl"	34.969402
"26427"	1341.494806	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M-2H+K"	36.948606
"468904"	1993.767906	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M-2H+K"	36.948606
"842696"	689.221706	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-2H+K"	36.948606
"1568009"	689.221706	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+K-2H"	36.948606
"952976"	697.271294	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-H+HCOOH"	44.998194
"372288"	1349.544401	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+HCOOH-H"	44.998201
"357265"	1363.560051	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+Hac-H"	59.013851
"1502815"	711.286951	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Hac-H"	59.013851
"971451"	719.253251	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-H+NaCOOH"	66.980151
"118171"	687.242502	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+2Cl"	69.938804
"563204"	1013.379052	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+2Cl"	69.938804
"1035283"	361.105952	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2Cl"	69.938804
"1251579"	731.191985	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Br"	78.918885
"1317673"	733.247972	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Cl+HCOOH"	80.974872
"1330430"	755.229929	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Cl+NaCOOH"	102.956829
"922581"	765.258686	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M-H+CF3COOH"	112.985586
"1298197"	801.235364	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Cl+CF3COOH"	148.962264
"1379275"	617.260424	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H-2H2O"	-35.012676
"1388387"	635.2704	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H-H2O"	-17.0027
"289167"	1305.553476	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+H"	1.007276
"680496"	1957.826576	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+H"	1.007276
"1360493"	653.280376	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H"	1.007276
"139579"	653.280376	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+2H"	2.014552
"576222"	979.416926	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+2H"	2.014552
"1047209"	327.143826	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2H"	2.014552
"212558"	435.856009333333	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+3H"	3.021828
"645556"	653.280376	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+3H"	3.021828
"1172436"	218.431642666667	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+3H"	3.021828
"425381"	1322.580023	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+NH4"	18.033823
"793426"	1974.853123	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+NH4"	18.033823
"1683560"	670.306923	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+NH4"	18.033823
"344842"	661.7936495	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+H+NH4"	19.041099
"732645"	987.9301995	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+H+NH4"	19.041099
"1477101"	335.6570995	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H+NH4"	19.041099
"395303"	1327.535418	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+Na"	22.989218
"755322"	1979.808518	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+Na"	22.989218
"1603297"	675.262318	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Na"	22.989218
"314381"	664.271347	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+H+Na"	23.996494
"709401"	990.407897	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+H+Na"	23.996494
"1462491"	338.134797	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H+Na"	23.996494
"1052810"	225.758956666667	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2H+Na"	25.00377
"1262157"	685.306586	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+CH3OH+H"	33.033486
"377813"	1343.509358	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+K"	38.963158
"739904"	1995.782458	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+K"	38.963158
"1542322"	691.236258	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+K"	38.963158
"300593"	672.258317	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+H+K"	39.970434
"693016"	998.394867	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+H+K"	39.970434
"1447561"	346.121767	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H+K"	39.970434
"239087"	1346.580026	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+ACN+H"	42.033826
"1211795"	694.306926	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+ACN+H"	42.033826
"1197134"	347.657101	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+ACN+2H"	43.041102
"191830"	1349.51736	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+2Na-H"	44.97116
"632484"	2001.79046	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+2Na-H"	44.97116
"1135990"	697.24426	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2Na-H"	44.97116
"175269"	675.262318	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+2Na"	45.978436
"614096"	1001.398868	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+2Na"	45.978436
"1116512"	349.125768	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2Na"	45.978436
"1399303"	233.086270666667	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H+2Na"	46.985712
"1430328"	699.285846	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H+HCOOH"	47.012746
"220091"	680.29534	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+3H2O+2H"	56.04448
"1508941"	713.33789	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+IsoProp+H"	61.06479
"410329"	683.249288	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+Na+K"	61.952376
"770343"	1009.385838	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+Na+K"	61.952376
"1665945"	357.112738	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Na+K"	61.952376
"251981"	1368.561968	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+ACN+Na"	64.015768
"1226142"	716.288868	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+ACN+Na"	64.015768
"1713462"	716.312393	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+NH4+HCOOH"	64.039293
"1192443"	240.413584666667	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+3Na"	68.967654
"1664520"	721.267788	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Na+HCOOH"	68.994688
"167376"	1381.46524	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+2K-H"	76.91904
"610211"	2033.73834	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+2K-H"	76.91904
"1098004"	729.19214	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2K-H"	76.91904
"155918"	691.236258	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"2M+2K"	77.926316
"593292"	1017.372808	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"3M+2K"	77.926316
"1083931"	365.099708	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2K"	77.926316
"1115470"	731.206692	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2K+H"	78.933592
"1348492"	731.294307	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+DMSO+H"	79.021207
"1020180"	735.333476	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2ACN+H"	83.060376
"1538307"	736.327108	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+IsoProp+Na+H"	84.054008
"1001600"	368.170376	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+2ACN+2H"	84.067652
"1600476"	737.241728	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+K+HCOOH"	84.968628
"1427227"	767.273238	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+H+CF3COOH"	115.000138
"1161164"	388.683651	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+3ACN+2H"	125.094202
"1708161"	784.299785	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+NH4+CF3COOH"	132.026685
"1644906"	789.25518	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+Na+CF3COOH"	136.98208
"1575093"	805.22912	"C19869"	"beta-D-Gentiobiosyl crocetin"	"C32H44O14"	"652.2731"	"M+K+CF3COOH"	152.95602
"810926"	1820.8807	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M"	0
"982274"	1801.86231	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-H2O-H"	-19.01839
"72703"	1212.91319066667	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M-3H"	-3.021828
"514452"	1819.873424	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M-3H"	-3.021828
"894930"	605.952957333333	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-3H"	-3.021828
"15456"	1819.873424	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M-2H"	-2.014552
"454042"	2730.313774	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M-2H"	-2.014552
"820178"	909.433074	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-2H"	-2.014552
"91104"	3640.754124	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M-H"	-1.007276
"529576"	5461.634824	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M-H"	-1.007276
"905552"	1819.873424	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-H"	-1.007276
"52273"	3657.780671	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M-2H+NH4"	16.019271
"499486"	5478.661371	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M-2H+NH4"	16.019271
"875100"	1836.899971	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-2H+NH4"	16.019271
"41908"	3662.736066	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M-2H+Na"	20.974666
"474175"	5483.616766	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M-2H+Na"	20.974666
"853799"	1841.855366	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-2H+Na"	20.974666
"1622239"	1841.855366	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Na-2H"	20.974666
"97675"	1837.861763	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M-H+Cl"	33.962126
"543799"	2748.302113	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M-H+Cl"	33.962126
"937317"	927.421413	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-H+Cl"	33.962126
"282038"	3676.730802	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+Cl"	34.969402
"673771"	5497.611502	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+Cl"	34.969402
"1287632"	1855.850102	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Cl"	34.969402
"29458"	3678.710006	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M-2H+K"	36.948606
"469016"	5499.590706	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M-2H+K"	36.948606
"846456"	1857.829306	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-2H+K"	36.948606
"1568485"	1857.829306	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+K-2H"	36.948606
"954545"	1865.878894	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-H+HCOOH"	44.998194
"370210"	3686.759601	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+HCOOH-H"	44.998201
"358471"	3700.775251	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+Hac-H"	59.013851
"1504387"	1879.894551	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Hac-H"	59.013851
"971929"	1887.860851	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-H+NaCOOH"	66.980151
"123388"	1855.850102	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+2Cl"	69.938804
"563680"	2766.290452	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+2Cl"	69.938804
"1036126"	945.409752	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2Cl"	69.938804
"1256066"	1899.799585	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Br"	78.918885
"1318516"	1901.855572	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Cl+HCOOH"	80.974872
"1332726"	1923.837529	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Cl+NaCOOH"	102.956829
"921598"	1933.866286	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M-H+CF3COOH"	112.985586
"1300130"	1969.842964	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Cl+CF3COOH"	148.962264
"1381209"	1785.868024	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H-2H2O"	-35.012676
"1388497"	1803.878	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H-H2O"	-17.0027
"289277"	3642.768676	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+H"	1.007276
"680606"	5463.649376	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+H"	1.007276
"1364249"	1821.887976	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H"	1.007276
"132033"	1821.887976	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+2H"	2.014552
"574510"	2732.328326	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+2H"	2.014552
"1042579"	911.447626	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2H"	2.014552
"207564"	1214.92774266667	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+3H"	3.021828
"646759"	1821.887976	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+3H"	3.021828
"1172548"	607.967509333333	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+3H"	3.021828
"427073"	3659.795223	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+NH4"	18.033823
"795724"	5480.675923	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+NH4"	18.033823
"1686586"	1838.914523	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+NH4"	18.033823
"345195"	1830.4012495	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+H+NH4"	19.041099
"736035"	2740.8415995	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+H+NH4"	19.041099
"1478920"	919.9608995	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H+NH4"	19.041099
"398693"	3664.750618	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+Na"	22.989218
"757501"	5485.631318	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+Na"	22.989218
"1603408"	1843.869918	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Na"	22.989218
"316361"	1832.878947	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+H+Na"	23.996494
"707929"	2743.319297	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+H+Na"	23.996494
"1462237"	922.438597	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H+Na"	23.996494
"1052924"	615.294823333333	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2H+Na"	25.00377
"1259711"	1853.914186	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+CH3OH+H"	33.033486
"380111"	3680.724558	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+K"	38.963158
"738673"	5501.605258	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+K"	38.963158
"1540969"	1859.843858	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+K"	38.963158
"301066"	1840.865917	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+H+K"	39.970434
"692394"	2751.306267	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+H+K"	39.970434
"1447307"	930.425567	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H+K"	39.970434
"239197"	3683.795226	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+ACN+H"	42.033826
"1212269"	1862.914526	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+ACN+H"	42.033826
"1196878"	931.960901	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+ACN+2H"	43.041102
"192304"	3686.73256	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+2Na-H"	44.97116
"629675"	5507.61326	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+2Na-H"	44.97116
"1135004"	1865.85186	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2Na-H"	44.97116
"174283"	1843.869918	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+2Na"	45.978436
"613477"	2754.310268	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+2Na"	45.978436
"1116499"	933.429568	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2Na"	45.978436
"1399533"	622.622137333333	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H+2Na"	46.985712
"1430919"	1867.893446	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H+HCOOH"	47.012746
"220243"	1848.90294	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+3H2O+2H"	56.04448
"1508615"	1881.94549	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+IsoProp+H"	61.06479
"408762"	1851.856888	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+Na+K"	61.952376
"770202"	2762.297238	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+Na+K"	61.952376
"1665731"	941.416538	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Na+K"	61.952376
"251465"	3705.777168	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+ACN+Na"	64.015768
"1225769"	1884.896468	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+ACN+Na"	64.015768
"1713814"	1884.919993	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+NH4+HCOOH"	64.039293
"1183069"	629.949451333333	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+3Na"	68.967654
"1664264"	1889.875388	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Na+HCOOH"	68.994688
"170763"	3718.68044	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+2K-H"	76.91904
"612804"	5539.56114	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+2K-H"	76.91904
"1095930"	1897.79974	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2K-H"	76.91904
"156759"	1859.843858	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"2M+2K"	77.926316
"596441"	2770.284208	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"3M+2K"	77.926316
"1084195"	949.403508	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2K"	77.926316
"1113311"	1899.814292	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2K+H"	78.933592
"1350187"	1899.901907	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+DMSO+H"	79.021207
"1020905"	1903.941076	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2ACN+H"	83.060376
"1539640"	1904.934708	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+IsoProp+Na+H"	84.054008
"1004989"	952.474176	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+2ACN+2H"	84.067652
"1600587"	1905.849328	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+K+HCOOH"	84.968628
"1429841"	1935.880838	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+H+CF3COOH"	115.000138
"1162001"	972.987451	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+3ACN+2H"	125.094202
"1708271"	1952.907385	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+NH4+CF3COOH"	132.026685
"1645016"	1957.86278	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+Na+CF3COOH"	136.98208
"1575203"	1973.83672	"C19870"	"46-CH3(COO-)C-D-Man-beta-(1-4)-D-GlcA-beta-(1-2)-D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-ditransoctacis-undecaprenol"	"C88H142O35P2"	"1820.8807"	"M+K+CF3COOH"	152.95602
"805568"	166.0855	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M"	0
"981290"	147.06711	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-H2O-H"	-19.01839
"69531"	109.716390666667	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M-3H"	-3.021828
"507999"	165.078224	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M-3H"	-3.021828
"886897"	54.3545573333333	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-3H"	-3.021828
"14591"	165.078224	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M-2H"	-2.014552
"451602"	248.120974	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M-2H"	-2.014552
"828311"	82.035474	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-2H"	-2.014552
"90489"	331.163724	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M-H"	-1.007276
"530294"	497.249224	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M-H"	-1.007276
"908939"	165.078224	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-H"	-1.007276
"59310"	348.190271	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M-2H+NH4"	16.019271
"499597"	514.275771	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M-2H+NH4"	16.019271
"874117"	182.104771	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-2H+NH4"	16.019271
"38738"	353.145666	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M-2H+Na"	20.974666
"472828"	519.231166	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M-2H+Na"	20.974666
"850629"	187.060166	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-2H+Na"	20.974666
"1619069"	187.060166	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Na-2H"	20.974666
"97786"	183.066563	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M-H+Cl"	33.962126
"543909"	266.109313	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M-H+Cl"	33.962126
"937427"	100.023813	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-H+Cl"	33.962126
"281828"	367.140402	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+Cl"	34.969402
"673151"	533.225902	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+Cl"	34.969402
"1287742"	201.054902	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Cl"	34.969402
"29204"	369.119606	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M-2H+K"	36.948606
"471081"	535.205106	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M-2H+K"	36.948606
"845110"	203.034106	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-2H+K"	36.948606
"1567865"	203.034106	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+K-2H"	36.948606
"956845"	211.083694	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-H+HCOOH"	44.998194
"370320"	377.169201	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+HCOOH-H"	44.998201
"357488"	391.184851	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+Hac-H"	59.013851
"1505957"	225.099351	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Hac-H"	59.013851
"972770"	233.065651	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-H+NaCOOH"	66.980151
"123499"	201.054902	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+2Cl"	69.938804
"563789"	284.097652	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+2Cl"	69.938804
"1035872"	118.012152	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2Cl"	69.938804
"1255329"	245.004385	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Br"	78.918885
"1318870"	247.060372	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Cl+HCOOH"	80.974872
"1333810"	269.042329	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Cl+NaCOOH"	102.956829
"923167"	279.071086	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M-H+CF3COOH"	112.985586
"1298417"	315.047764	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Cl+CF3COOH"	148.962264
"1374391"	131.072824	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H-2H2O"	-35.012676
"1388607"	149.0828	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H-H2O"	-17.0027
"288294"	333.178276	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+H"	1.007276
"681809"	499.263776	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+H"	1.007276
"1362900"	167.092776	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H"	1.007276
"133965"	167.092776	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+2H"	2.014552
"571702"	250.135526	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+2H"	2.014552
"1043782"	84.050026	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2H"	2.014552
"205607"	111.730942666667	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+3H"	3.021828
"646142"	167.092776	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+3H"	3.021828
"1174845"	56.3691093333333	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+3H"	3.021828
"432650"	350.204823	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+NH4"	18.033823
"796928"	516.290323	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+NH4"	18.033823
"1686696"	184.119323	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+NH4"	18.033823
"343725"	175.6060495	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+H+NH4"	19.041099
"736145"	258.6487995	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+H+NH4"	19.041099
"1482310"	92.5632995	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H+NH4"	19.041099
"398803"	355.160218	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+Na"	22.989218
"760890"	521.245718	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+Na"	22.989218
"1604125"	189.074718	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Na"	22.989218
"317200"	178.083747	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+H+Na"	23.996494
"709985"	261.126497	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+H+Na"	23.996494
"1461981"	95.040997	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H+Na"	23.996494
"1053645"	63.6964233333333	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2H+Na"	25.00377
"1260188"	199.118986	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+CH3OH+H"	33.033486
"382044"	371.134158	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+K"	38.963158
"741945"	537.219658	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+K"	38.963158
"1541079"	205.048658	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+K"	38.963158
"301536"	186.070717	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+H+K"	39.970434
"693961"	269.113467	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+H+K"	39.970434
"1448145"	103.027967	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H+K"	39.970434
"239307"	374.204826	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+ACN+H"	42.033826
"1213837"	208.119326	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+ACN+H"	42.033826
"1198082"	104.563301	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+ACN+2H"	43.041102
"192414"	377.14216	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+2Na-H"	44.97116
"631608"	543.22766	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+2Na-H"	44.97116
"1136210"	211.05666	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2Na-H"	44.97116
"174393"	189.074718	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+2Na"	45.978436
"615042"	272.117468	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+2Na"	45.978436
"1116726"	106.031968	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2Na"	45.978436
"1399520"	71.0237373333333	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H+2Na"	46.985712
"1430136"	213.098246	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H+HCOOH"	47.012746
"220397"	194.10774	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+3H2O+2H"	56.04448
"1508671"	227.15029	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+IsoProp+H"	61.06479
"409130"	197.061688	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+Na+K"	61.952376
"770806"	280.104438	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+Na+K"	61.952376
"1666245"	114.018938	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Na+K"	61.952376
"252319"	396.186768	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+ACN+Na"	64.015768
"1226485"	230.101268	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+ACN+Na"	64.015768
"1713799"	230.124793	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+NH4+HCOOH"	64.039293
"1185365"	78.3510513333333	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+3Na"	68.967654
"1655258"	235.080188	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Na+HCOOH"	68.994688
"171723"	409.09004	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+2K-H"	76.91904
"609341"	575.17554	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+2K-H"	76.91904
"1098839"	243.00454	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2K-H"	76.91904
"156625"	205.048658	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"2M+2K"	77.926316
"593509"	288.091408	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"3M+2K"	77.926316
"1083737"	122.005908	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2K"	77.926316
"1114152"	245.019092	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2K+H"	78.933592
"1350296"	245.106707	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+DMSO+H"	79.021207
"1017243"	249.145876	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2ACN+H"	83.060376
"1538895"	250.139508	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+IsoProp+Na+H"	84.054008
"1002911"	125.076576	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+2ACN+2H"	84.067652
"1601788"	251.054128	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+K+HCOOH"	84.968628
"1427447"	281.085638	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+H+CF3COOH"	115.000138
"1161018"	145.589851	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+3ACN+2H"	125.094202
"1705101"	298.112185	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+NH4+CF3COOH"	132.026685
"1644032"	303.06758	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+Na+CF3COOH"	136.98208
"1575313"	319.04152	"C19872"	"N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine;2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine;FAMP"	"C7H10N4O"	"166.0855"	"M+K+CF3COOH"	152.95602
"811146"	480.3451	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M"	0
"981401"	461.32671	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-H2O-H"	-19.01839
"69643"	319.222790666667	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M-3H"	-3.021828
"518241"	479.337824	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M-3H"	-3.021828
"895150"	159.107757333333	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-3H"	-3.021828
"15509"	479.337824	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M-2H"	-2.014552
"453777"	719.510374	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M-2H"	-2.014552
"828785"	239.165274	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-2H"	-2.014552
"92421"	959.682924	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M-H"	-1.007276
"531245"	1440.028024	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M-H"	-1.007276
"906860"	479.337824	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-H"	-1.007276
"60508"	976.709471	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M-2H+NH4"	16.019271
"499705"	1457.054571	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M-2H+NH4"	16.019271
"870946"	496.364371	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-2H+NH4"	16.019271
"37752"	981.664866	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M-2H+Na"	20.974666
"472938"	1462.009966	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M-2H+Na"	20.974666
"849522"	501.319766	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-2H+Na"	20.974666
"1622460"	501.319766	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Na-2H"	20.974666
"97895"	497.326163	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M-H+Cl"	33.962126
"546574"	737.498713	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M-H+Cl"	33.962126
"939728"	257.153613	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-H+Cl"	33.962126
"281205"	995.659602	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+Cl"	34.969402
"674476"	1476.004702	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+Cl"	34.969402
"1286877"	515.314502	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Cl"	34.969402
"30535"	997.638806	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M-2H+K"	36.948606
"471192"	1477.983906	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M-2H+K"	36.948606
"847289"	517.293706	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-2H+K"	36.948606
"1569801"	517.293706	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+K-2H"	36.948606
"956225"	525.343294	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-H+HCOOH"	44.998194
"375904"	1005.688401	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+HCOOH-H"	44.998201
"361305"	1019.704051	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+Hac-H"	59.013851
"1504606"	539.358951	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Hac-H"	59.013851
"972150"	547.325251	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-H+NaCOOH"	66.980151
"125656"	515.314502	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+2Cl"	69.938804
"565583"	755.487052	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+2Cl"	69.938804
"1035739"	275.141952	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2Cl"	69.938804
"1255921"	559.263985	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Br"	78.918885
"1317275"	561.319972	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Cl+HCOOH"	80.974872
"1332583"	583.301929	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Cl+NaCOOH"	102.956829
"924735"	593.330686	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M-H+CF3COOH"	112.985586
"1299256"	629.307364	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Cl+CF3COOH"	148.962264
"1379241"	445.332424	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H-2H2O"	-35.012676
"1388717"	463.3424	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H-H2O"	-17.0027
"289497"	961.697476	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+H"	1.007276
"683743"	1442.042576	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+H"	1.007276
"1364104"	481.352376	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H"	1.007276
"133346"	481.352376	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+2H"	2.014552
"571812"	721.524926	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+2H"	2.014552
"1043892"	241.179826	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2H"	2.014552
"211793"	321.237342666667	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+3H"	3.021828
"649169"	481.352376	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+3H"	3.021828
"1177750"	161.122309333333	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+3H"	3.021828
"438228"	978.724023	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+NH4"	18.033823
"799955"	1459.069123	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+NH4"	18.033823
"1691181"	498.378923	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+NH4"	18.033823
"343835"	489.8656495	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+H+NH4"	19.041099
"735163"	730.0381995	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+H+NH4"	19.041099
"1482422"	249.6930995	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H+NH4"	19.041099
"401101"	983.679418	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+Na"	22.989218
"763189"	1464.024518	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+Na"	22.989218
"1605819"	503.334318	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Na"	22.989218
"318041"	492.343347	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+H+Na"	23.996494
"711554"	732.515897	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+H+Na"	23.996494
"1463187"	252.170797	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H+Na"	23.996494
"1053877"	168.449623333333	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2H+Na"	25.00377
"1259205"	513.378586	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+CH3OH+H"	33.033486
"381425"	999.653358	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+K"	38.963158
"740599"	1479.998458	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+K"	38.963158
"1540827"	519.308258	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+K"	38.963158
"299824"	500.330317	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+H+K"	39.970434
"692614"	740.502867	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+H+K"	39.970434
"1446799"	260.157767	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H+K"	39.970434
"242697"	1002.724026	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+ACN+H"	42.033826
"1216499"	522.378926	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+ACN+H"	42.033826
"1199290"	261.693101	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+ACN+2H"	43.041102
"192524"	1005.66136	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+2Na-H"	44.97116
"632449"	1486.00646	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+2Na-H"	44.97116
"1136320"	525.31626	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2Na-H"	44.97116
"174138"	503.334318	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+2Na"	45.978436
"613820"	743.506868	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+2Na"	45.978436
"1116482"	263.161768	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2Na"	45.978436
"1399026"	175.776937333333	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H+2Na"	46.985712
"1430532"	527.357846	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H+HCOOH"	47.012746
"221077"	508.36734	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+3H2O+2H"	56.04448
"1511705"	541.40989	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+IsoProp+H"	61.06479
"410662"	511.321288	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+Na+K"	61.952376
"770672"	751.493838	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+Na+K"	61.952376
"1665668"	271.148738	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Na+K"	61.952376
"251827"	1024.705968	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+ACN+Na"	64.015768
"1226844"	544.360868	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+ACN+Na"	64.015768
"1713062"	544.384393	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+NH4+HCOOH"	64.039293
"1185474"	183.104251333333	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+3Na"	68.967654
"1655368"	549.339788	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Na+HCOOH"	68.994688
"165510"	1037.60924	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+2K-H"	76.91904
"607258"	1517.95434	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+2K-H"	76.91904
"1096143"	557.26414	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2K-H"	76.91904
"155638"	519.308258	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"2M+2K"	77.926316
"595443"	759.480808	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"3M+2K"	77.926316
"1082023"	279.135708	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2K"	77.926316
"1113171"	559.278692	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2K+H"	78.933592
"1348821"	559.366307	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+DMSO+H"	79.021207
"1018445"	563.405476	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2ACN+H"	83.060376
"1537665"	564.399108	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+IsoProp+Na+H"	84.054008
"1003021"	282.206376	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+2ACN+2H"	84.067652
"1600804"	565.313728	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+K+HCOOH"	84.968628
"1426464"	595.345238	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+H+CF3COOH"	115.000138
"1158940"	302.719651	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+3ACN+2H"	125.094202
"1703023"	612.371785	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+NH4+CF3COOH"	132.026685
"1640862"	617.32718	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+Na+CF3COOH"	136.98208
"1575423"	633.30112	"C19873"	"26-Hydroxycastasterone"	"C28H48O6"	"480.3451"	"M+K+CF3COOH"	152.95602
"805788"	496.34	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M"	0
"978230"	477.32161	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-H2O-H"	-19.01839
"70844"	329.886057333333	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M-3H"	-3.021828
"510408"	495.332724	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M-3H"	-3.021828
"883837"	164.439390666667	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-3H"	-3.021828
"8974"	495.332724	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M-2H"	-2.014552
"455096"	743.502724	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M-2H"	-2.014552
"829619"	247.162724	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-2H"	-2.014552
"91796"	991.672724	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M-H"	-1.007276
"523700"	1488.012724	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M-H"	-1.007276
"903688"	495.332724	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-H"	-1.007276
"59160"	1008.699271	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M-2H+NH4"	16.019271
"498721"	1505.039271	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M-2H+NH4"	16.019271
"876158"	512.359271	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-2H+NH4"	16.019271
"37864"	1013.654666	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M-2H+Na"	20.974666
"471991"	1509.994666	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M-2H+Na"	20.974666
"849147"	517.314666	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-2H+Na"	20.974666
"1619652"	517.314666	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Na-2H"	20.974666
"94846"	513.321063	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M-H+Cl"	33.962126
"543036"	761.491063	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M-H+Cl"	33.962126
"940202"	265.151063	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-H+Cl"	33.962126
"281555"	1027.649402	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+Cl"	34.969402
"674827"	1523.989402	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+Cl"	34.969402
"1287918"	531.309402	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Cl"	34.969402
"30887"	1029.628606	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M-2H+K"	36.948606
"470893"	1525.968606	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M-2H+K"	36.948606
"848175"	533.288606	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-2H+K"	36.948606
"1570888"	533.288606	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+K-2H"	36.948606
"957429"	541.338194	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-H+HCOOH"	44.998194
"374548"	1037.678201	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+HCOOH-H"	44.998201
"360990"	1051.693851	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+Hac-H"	59.013851
"1503987"	555.353851	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Hac-H"	59.013851
"973727"	563.320151	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-H+NaCOOH"	66.980151
"125107"	531.309402	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+2Cl"	69.938804
"565107"	779.479402	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+2Cl"	69.938804
"1036575"	283.139402	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2Cl"	69.938804
"1256274"	575.258885	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Br"	78.918885
"1314469"	577.314872	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Cl+HCOOH"	80.974872
"1332329"	599.296829	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Cl+NaCOOH"	102.956829
"924481"	609.325586	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M-H+CF3COOH"	112.985586
"1297543"	645.302264	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Cl+CF3COOH"	148.962264
"1378987"	461.327324	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H-2H2O"	-35.012676
"1388827"	479.3373	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H-H2O"	-17.0027
"288514"	993.687276	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+H"	1.007276
"683124"	1490.027276	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+H"	1.007276
"1364578"	497.347276	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H"	1.007276
"131270"	497.347276	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+2H"	2.014552
"571922"	745.517276	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+2H"	2.014552
"1044002"	249.177276	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2H"	2.014552
"210810"	331.900609333333	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+3H"	3.021828
"648186"	497.347276	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+3H"	3.021828
"1176888"	166.453942666667	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+3H"	3.021828
"437974"	1010.713823	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+NH4"	18.033823
"799337"	1507.053823	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+NH4"	18.033823
"1692384"	514.373823	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+NH4"	18.033823
"343580"	505.8605495	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+H+NH4"	19.041099
"731993"	754.0305495	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+H+NH4"	19.041099
"1483625"	257.6905495	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H+NH4"	19.041099
"401211"	1015.669218	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+Na"	22.989218
"763299"	1512.009218	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+Na"	22.989218
"1607386"	519.329218	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Na"	22.989218
"318515"	508.338247	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+H+Na"	23.996494
"711664"	756.508247	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+H+Na"	23.996494
"1463661"	260.168247	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H+Na"	23.996494
"1053380"	173.781256666667	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2H+Na"	25.00377
"1257853"	529.373486	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+CH3OH+H"	33.033486
"379349"	1031.643158	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+K"	38.963158
"739980"	1527.983158	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+K"	38.963158
"1540934"	535.303158	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+K"	38.963158
"299687"	516.325217	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+H+K"	39.970434
"692358"	764.495217	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+H+K"	39.970434
"1446665"	268.155217	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H+K"	39.970434
"242807"	1034.713826	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+ACN+H"	42.033826
"1212236"	538.373826	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+ACN+H"	42.033826
"1199400"	269.690551	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+ACN+2H"	43.041102
"192270"	1037.65116	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+2Na-H"	44.97116
"630124"	1533.99116	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+2Na-H"	44.97116
"1133514"	541.31116	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2Na-H"	44.97116
"173519"	519.329218	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+2Na"	45.978436
"613201"	767.499218	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+2Na"	45.978436
"1116217"	271.159218	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2Na"	45.978436
"1400227"	181.108570666667	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H+2Na"	46.985712
"1430074"	543.352746	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H+HCOOH"	47.012746
"220581"	524.36224	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+3H2O+2H"	56.04448
"1512179"	557.40479	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+IsoProp+H"	61.06479
"409920"	527.316188	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+Na+K"	61.952376
"770541"	775.486188	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+Na+K"	61.952376
"1665737"	279.146188	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Na+K"	61.952376
"251572"	1056.695768	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+ACN+Na"	64.015768
"1226591"	560.355768	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+ACN+Na"	64.015768
"1712938"	560.379293	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+NH4+HCOOH"	64.039293
"1184491"	188.435884666667	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+3Na"	68.967654
"1655478"	565.334688	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Na+HCOOH"	68.994688
"165620"	1069.59904	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+2K-H"	76.91904
"607368"	1565.93904	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+2K-H"	76.91904
"1092973"	573.25904	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2K-H"	76.91904
"156686"	535.303158	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"2M+2K"	77.926316
"595916"	783.473158	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"3M+2K"	77.926316
"1081521"	287.133158	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2K"	77.926316
"1113641"	575.273592	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2K+H"	78.933592
"1346744"	575.361207	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+DMSO+H"	79.021207
"1017461"	579.400376	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2ACN+H"	83.060376
"1534494"	580.394008	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+IsoProp+Na+H"	84.054008
"1004223"	290.203826	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+2ACN+2H"	84.067652
"1598727"	581.308628	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+K+HCOOH"	84.968628
"1429127"	611.340138	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+H+CF3COOH"	115.000138
"1161238"	310.717101	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+3ACN+2H"	125.094202
"1703133"	628.366685	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+NH4+CF3COOH"	132.026685
"1644251"	633.32208	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+Na+CF3COOH"	136.98208
"1575533"	649.29602	"C19874"	"26-Hydroxybrassinolide"	"C28H48O7"	"496.34"	"M+K+CF3COOH"	152.95602
"805898"	2065.0289	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M"	0
"974227"	2046.01051	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-H2O-H"	-19.01839
"68767"	1375.67865733333	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M-3H"	-3.021828
"509424"	2064.021624	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M-3H"	-3.021828
"881395"	687.335690666667	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-3H"	-3.021828
"4710"	2064.021624	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M-2H"	-2.014552
"451926"	3096.536074	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M-2H"	-2.014552
"828635"	1031.507174	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-2H"	-2.014552
"88625"	4129.050524	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M-H"	-1.007276
"519557"	6194.079424	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M-H"	-1.007276
"898331"	2064.021624	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-H"	-1.007276
"54897"	4146.077071	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M-2H+NH4"	16.019271
"496645"	6211.105971	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M-2H+NH4"	16.019271
"871167"	2081.048171	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-2H+NH4"	16.019271
"35786"	4151.032466	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M-2H+Na"	20.974666
"471410"	6216.061366	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M-2H+Na"	20.974666
"848973"	2086.003566	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-2H+Na"	20.974666
"1618789"	2086.003566	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Na-2H"	20.974666
"94354"	2082.009963	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M-H+Cl"	33.962126
"534882"	3114.524413	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M-H+Cl"	33.962126
"939943"	1049.495513	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-H+Cl"	33.962126
"281666"	4165.027202	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+Cl"	34.969402
"673841"	6230.056102	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+Cl"	34.969402
"1286608"	2099.998302	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Cl"	34.969402
"30871"	4167.006406	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M-2H+K"	36.948606
"470184"	6232.035306	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M-2H+K"	36.948606
"844341"	2101.977506	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-2H+K"	36.948606
"1566737"	2101.977506	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+K-2H"	36.948606
"950246"	2110.027094	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-H+HCOOH"	44.998194
"367368"	4175.056001	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+HCOOH-H"	44.998201
"358546"	4189.071651	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+Hac-H"	59.013851
"1504463"	2124.042751	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Hac-H"	59.013851
"970547"	2132.009051	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-H+NaCOOH"	66.980151
"121278"	2099.998302	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+2Cl"	69.938804
"560837"	3132.512752	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+2Cl"	69.938804
"1031456"	1067.483852	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2Cl"	69.938804
"1251035"	2143.947785	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Br"	78.918885
"1311299"	2146.003772	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Cl+HCOOH"	80.974872
"1325513"	2167.985729	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Cl+NaCOOH"	102.956829
"917665"	2178.014486	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M-H+CF3COOH"	112.985586
"1291456"	2213.991164	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Cl+CF3COOH"	148.962264
"1373627"	2030.016224	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H-2H2O"	-35.012676
"1386750"	2048.0262	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H-H2O"	-17.0027
"287530"	4131.065076	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+H"	1.007276
"682142"	6196.093976	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+H"	1.007276
"1362866"	2066.036176	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H"	1.007276
"132474"	2066.036176	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+2H"	2.014552
"568752"	3098.550626	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+2H"	2.014552
"1044112"	1033.521726	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2H"	2.014552
"208733"	1377.69320933333	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+3H"	3.021828
"649389"	2066.036176	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+3H"	3.021828
"1176269"	689.350242666667	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+3H"	3.021828
"435168"	4148.091623	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+NH4"	18.033823
"797260"	6213.120523	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+NH4"	18.033823
"1689214"	2083.062723	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+NH4"	18.033823
"335308"	2074.5494495	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+H+NH4"	19.041099
"729917"	3107.0638995	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+H+NH4"	19.041099
"1480819"	1042.0349995	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H+NH4"	19.041099
"401321"	4153.047018	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+Na"	22.989218
"760129"	6218.075918	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+Na"	22.989218
"1605310"	2088.018118	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Na"	22.989218
"315710"	2077.027147	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+H+Na"	23.996494
"709101"	3109.541597	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+H+Na"	23.996494
"1461704"	1044.512697	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H+Na"	23.996494
"1053044"	696.677556666667	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2H+Na"	25.00377
"1257355"	2098.062386	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+CH3OH+H"	33.033486
"377347"	4169.020958	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+K"	38.963158
"738869"	6234.049858	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+K"	38.963158
"1539912"	2103.992058	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+K"	38.963158
"298627"	2085.014117	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+H+K"	39.970434
"691414"	3117.528567	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+H+K"	39.970434
"1446291"	1052.499667	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H+K"	39.970434
"242917"	4172.091626	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+ACN+H"	42.033826
"1212346"	2107.062726	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+ACN+H"	42.033826
"1197687"	1054.035001	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+ACN+2H"	43.041102
"190067"	4175.02896	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+2Na-H"	44.97116
"629993"	6240.05786	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+2Na-H"	44.97116
"1132405"	2110.00006	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2Na-H"	44.97116
"173750"	2088.018118	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+2Na"	45.978436
"613184"	3120.532568	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+2Na"	45.978436
"1116163"	1055.503668	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2Na"	45.978436
"1399488"	704.004870666667	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H+2Na"	46.985712
"1430104"	2112.041646	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H+HCOOH"	47.012746
"221055"	2093.05114	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+3H2O+2H"	56.04448
"1509373"	2126.09369	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+IsoProp+H"	61.06479
"409544"	2096.005088	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+Na+K"	61.952376
"770409"	3128.519538	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+Na+K"	61.952376
"1665684"	1063.490638	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Na+K"	61.952376
"251464"	4194.073568	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+ACN+Na"	64.015768
"1226455"	2129.044668	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+ACN+Na"	64.015768
"1712999"	2129.068193	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+NH4+HCOOH"	64.039293
"1180956"	711.332184666667	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+3Na"	68.967654
"1652673"	2134.023588	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Na+HCOOH"	68.994688
"161357"	4206.97684	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+2K-H"	76.91904
"599825"	6272.00574	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+2K-H"	76.91904
"1087617"	2141.94794	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2K-H"	76.91904
"156914"	2103.992058	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"2M+2K"	77.926316
"594930"	3136.506508	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"3M+2K"	77.926316
"1080538"	1071.477608	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2K"	77.926316
"1112656"	2143.962492	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2K+H"	78.933592
"1346854"	2144.050107	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+DMSO+H"	79.021207
"1014291"	2148.089276	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2ACN+H"	83.060376
"1534604"	2149.082908	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+IsoProp+Na+H"	84.054008
"1003239"	1074.548276	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+2ACN+2H"	84.067652
"1596649"	2149.997528	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+K+HCOOH"	84.968628
"1426685"	2180.029038	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+H+CF3COOH"	115.000138
"1158067"	1095.061551	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+3ACN+2H"	125.094202
"1703243"	2197.055585	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+NH4+CF3COOH"	132.026685
"1644361"	2202.01098	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+Na+CF3COOH"	136.98208
"1575643"	2217.98492	"C19875"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C92H166N2O44P2"	"2065.0289"	"M+K+CF3COOH"	152.95602
"806008"	2285.0872	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M"	0
"974517"	2266.06881	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-H2O-H"	-19.01839
"68877"	1522.38419066667	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M-3H"	-3.021828
"508441"	2284.079924	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M-3H"	-3.021828
"881870"	760.688457333333	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-3H"	-3.021828
"4820"	2284.079924	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M-2H"	-2.014552
"448755"	3426.623524	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M-2H"	-2.014552
"823277"	1141.536324	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-2H"	-2.014552
"85455"	4569.167124	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M-H"	-1.007276
"519788"	6854.254324	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M-H"	-1.007276
"897348"	2284.079924	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-H"	-1.007276
"55005"	4586.193671	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M-2H+NH4"	16.019271
"494568"	6871.280871	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M-2H+NH4"	16.019271
"867994"	2301.106471	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-2H+NH4"	16.019271
"35896"	4591.149066	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M-2H+Na"	20.974666
"471405"	6876.236266	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M-2H+Na"	20.974666
"848534"	2306.061866	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-2H+Na"	20.974666
"1618728"	2306.061866	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Na-2H"	20.974666
"94409"	2302.068263	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M-H+Cl"	33.962126
"535722"	3444.611863	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M-H+Cl"	33.962126
"936773"	1159.524663	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-H+Cl"	33.962126
"282464"	4605.143802	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+Cl"	34.969402
"675169"	6890.231002	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+Cl"	34.969402
"1288219"	2320.056602	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Cl"	34.969402
"30978"	4607.123006	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M-2H+K"	36.948606
"467012"	6892.210206	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M-2H+K"	36.948606
"844451"	2322.035806	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-2H+K"	36.948606
"1565754"	2322.035806	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+K-2H"	36.948606
"952541"	2330.085394	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-H+HCOOH"	44.998194
"367478"	4615.172601	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+HCOOH-H"	44.998201
"359384"	4629.188251	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+Hac-H"	59.013851
"1505303"	2344.101051	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Hac-H"	59.013851
"971385"	2352.067351	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-H+NaCOOH"	66.980151
"121752"	2320.056602	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+2Cl"	69.938804
"562768"	3462.600202	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+2Cl"	69.938804
"1033389"	1177.513002	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2Cl"	69.938804
"1254791"	2364.006085	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Br"	78.918885
"1308129"	2366.062072	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Cl+HCOOH"	80.974872
"1325623"	2388.044029	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Cl+NaCOOH"	102.956829
"915588"	2398.072786	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M-H+CF3COOH"	112.985586
"1293388"	2434.049464	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Cl+CF3COOH"	148.962264
"1373737"	2250.074524	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H-2H2O"	-35.012676
"1387224"	2268.0845	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H-H2O"	-17.0027
"286547"	4571.181676	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+H"	1.007276
"683344"	6856.268876	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+H"	1.007276
"1360424"	2286.094476	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H"	1.007276
"132583"	2286.094476	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+2H"	2.014552
"568862"	3428.638076	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+2H"	2.014552
"1040942"	1143.550876	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2H"	2.014552
"208843"	1524.39874266667	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+3H"	3.021828
"649499"	2286.094476	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+3H"	3.021828
"1176379"	762.703009333333	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+3H"	3.021828
"436372"	4588.208223	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+NH4"	18.033823
"798463"	6873.295423	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+NH4"	18.033823
"1689325"	2303.121023	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+NH4"	18.033823
"334689"	2294.6077495	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+H+NH4"	19.041099
"730027"	3437.1513495	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+H+NH4"	19.041099
"1480200"	1152.0641495	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H+NH4"	19.041099
"399244"	4593.163618	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+Na"	22.989218
"758052"	6878.250818	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+Na"	22.989218
"1605420"	2308.076418	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Na"	22.989218
"315454"	2297.085447	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+H+Na"	23.996494
"708237"	3439.629047	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+H+Na"	23.996494
"1463029"	1154.541847	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H+Na"	23.996494
"1054937"	770.030323333333	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2H+Na"	25.00377
"1257952"	2318.120686	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+CH3OH+H"	33.033486
"377863"	4609.137558	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+K"	38.963158
"739223"	6894.224758	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+K"	38.963158
"1540096"	2324.050358	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+K"	38.963158
"299662"	2305.072417	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+H+K"	39.970434
"691514"	3447.616017	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+H+K"	39.970434
"1445667"	1162.528817	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H+K"	39.970434
"237557"	4612.208226	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+ACN+H"	42.033826
"1212455"	2327.121026	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+ACN+H"	42.033826
"1196339"	1164.064151	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+ACN+2H"	43.041102
"189937"	4615.14556	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+2Na-H"	44.97116
"630592"	6900.23276	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+2Na-H"	44.97116
"1131989"	2330.05836	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2Na-H"	44.97116
"173374"	2308.076418	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+2Na"	45.978436
"613784"	3450.620018	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+2Na"	45.978436
"1115790"	1165.532818	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2Na"	45.978436
"1398625"	777.357637333333	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H+2Na"	46.985712
"1430090"	2332.099946	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H+HCOOH"	47.012746
"220679"	2313.10944	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+3H2O+2H"	56.04448
"1509482"	2346.15199	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+IsoProp+H"	61.06479
"408573"	2316.063388	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+Na+K"	61.952376
"770073"	3458.606988	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+Na+K"	61.952376
"1665628"	1173.519788	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Na+K"	61.952376
"251418"	4634.190168	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+ACN+Na"	64.015768
"1226083"	2349.102968	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+ACN+Na"	64.015768
"1712727"	2349.126493	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+NH4+HCOOH"	64.039293
"1181431"	784.684951333333	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+3Na"	68.967654
"1652419"	2354.081888	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Na+HCOOH"	68.994688
"160374"	4647.09344	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+2K-H"	76.91904
"601028"	6932.18064	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+2K-H"	76.91904
"1088820"	2362.00624	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2K-H"	76.91904
"144542"	2324.050358	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"2M+2K"	77.926316
"591759"	3466.593958	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"3M+2K"	77.926316
"1079551"	1181.506758	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2K"	77.926316
"1111673"	2364.020792	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2K+H"	78.933592
"1346964"	2364.108407	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+DMSO+H"	79.021207
"1015494"	2368.147576	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2ACN+H"	83.060376
"1534714"	2369.141208	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+IsoProp+Na+H"	84.054008
"1004079"	1184.577426	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+2ACN+2H"	84.067652
"1596759"	2370.055828	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+K+HCOOH"	84.968628
"1426795"	2400.087338	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+H+CF3COOH"	115.000138
"1158177"	1205.090701	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+3ACN+2H"	125.094202
"1703353"	2417.113885	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+NH4+CF3COOH"	132.026685
"1644471"	2422.06928	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+Na+CF3COOH"	136.98208
"1575753"	2438.04322	"C19876"	"alpha-Kdo-(2-8)-alpha-Kdo-(2-4)-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IVA"	"C100H178N2O51P2"	"2285.0872"	"M+K+CF3COOH"	152.95602
"807211"	1704.8786	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M"	0
"975643"	1685.86021	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-H2O-H"	-19.01839
"72268"	1135.57845733333	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M-3H"	-3.021828
"510738"	1703.871324	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M-3H"	-3.021828
"880763"	567.285590666667	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-3H"	-3.021828
"2743"	1703.871324	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M-2H"	-2.014552
"452145"	2556.310624	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M-2H"	-2.014552
"823387"	851.432024	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-2H"	-2.014552
"83378"	3408.749924	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M-H"	-1.007276
"519777"	5113.628524	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M-H"	-1.007276
"904018"	1703.871324	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-H"	-1.007276
"57667"	3425.776471	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M-2H+NH4"	16.019271
"496861"	5130.655071	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M-2H+NH4"	16.019271
"871384"	1720.897871	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-2H+NH4"	16.019271
"36005"	3430.731866	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M-2H+Na"	20.974666
"475566"	5135.610466	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M-2H+Na"	20.974666
"848744"	1725.853266	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-2H+Na"	20.974666
"1618520"	1725.853266	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Na-2H"	20.974666
"95176"	1721.859663	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M-H+Cl"	33.962126
"535711"	2574.298963	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M-H+Cl"	33.962126
"936519"	869.420363	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-H+Cl"	33.962126
"282578"	3444.726602	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+Cl"	34.969402
"674794"	5149.605202	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+Cl"	34.969402
"1287564"	1739.848002	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Cl"	34.969402
"30604"	3446.705806	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M-2H+K"	36.948606
"470895"	5151.584406	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M-2H+K"	36.948606
"848051"	1741.827206	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-2H+K"	36.948606
"1568049"	1741.827206	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+K-2H"	36.948606
"950467"	1749.876794	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-H+HCOOH"	44.998194
"368681"	3454.755401	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+HCOOH-H"	44.998201
"356940"	3468.771051	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+Hac-H"	59.013851
"1506508"	1763.892451	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Hac-H"	59.013851
"972225"	1771.858751	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-H+NaCOOH"	66.980151
"121863"	1739.848002	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+2Cl"	69.938804
"561787"	2592.287302	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+2Cl"	69.938804
"1034229"	887.408702	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2Cl"	69.938804
"1254541"	1783.797485	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Br"	78.918885
"1311519"	1785.853472	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Cl+HCOOH"	80.974872
"1329013"	1807.835429	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Cl+NaCOOH"	102.956829
"916792"	1817.864186	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M-H+CF3COOH"	112.985586
"1294592"	1853.840864	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Cl+CF3COOH"	148.962264
"1371660"	1669.865924	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H-2H2O"	-35.012676
"1387334"	1687.8759	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H-H2O"	-17.0027
"288844"	3410.764476	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+H"	1.007276
"679079"	5115.643076	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+H"	1.007276
"1360898"	1705.885876	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H"	1.007276
"133786"	1705.885876	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+2H"	2.014552
"570065"	2558.325176	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+2H"	2.014552
"1038255"	853.446576	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2H"	2.014552
"206157"	1137.59300933333	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+3H"	3.021828
"649609"	1705.885876	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+3H"	3.021828
"1173207"	569.300142666667	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+3H"	3.021828
"433200"	3427.791023	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+NH4"	18.033823
"799910"	5132.669623	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+NH4"	18.033823
"1690528"	1722.912423	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+NH4"	18.033823
"336622"	1714.3991495	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+H+NH4"	19.041099
"734510"	2566.8384495	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+H+NH4"	19.041099
"1480310"	861.9598495	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H+NH4"	19.041099
"399354"	3432.746418	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+Na"	22.989218
"766910"	5137.625018	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+Na"	22.989218
"1610633"	1727.867818	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Na"	22.989218
"318846"	1716.876847	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+H+Na"	23.996494
"717463"	2569.316147	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+H+Na"	23.996494
"1471282"	864.437547	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H+Na"	23.996494
"1061247"	576.627456666667	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2H+Na"	25.00377
"1259644"	1737.912086	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+CH3OH+H"	33.033486
"378220"	3448.720358	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+K"	38.963158
"739944"	5153.598958	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+K"	38.963158
"1540537"	1743.841758	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+K"	38.963158
"299781"	1724.863817	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+H+K"	39.970434
"691837"	2577.303117	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+H+K"	39.970434
"1448334"	872.424517	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H+K"	39.970434
"242044"	3451.791026	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+ACN+H"	42.033826
"1214752"	1746.912426	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+ACN+H"	42.033826
"1198636"	873.959851	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+ACN+2H"	43.041102
"193696"	3454.72836	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+2Na-H"	44.97116
"629486"	5159.60696	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+2Na-H"	44.97116
"1131655"	1749.84976	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2Na-H"	44.97116
"173367"	1727.867818	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+2Na"	45.978436
"612867"	2580.307118	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+2Na"	45.978436
"1115657"	875.428518	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2Na"	45.978436
"1398859"	583.954770666667	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H+2Na"	46.985712
"1430617"	1751.891346	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H+HCOOH"	47.012746
"220475"	1732.90084	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+3H2O+2H"	56.04448
"1508604"	1765.94339	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+IsoProp+H"	61.06479
"408915"	1735.854788	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+Na+K"	61.952376
"770273"	2588.294088	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+Na+K"	61.952376
"1665912"	883.415488	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Na+K"	61.952376
"252028"	3473.772968	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+ACN+Na"	64.015768
"1226923"	1768.894368	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+ACN+Na"	64.015768
"1713748"	1768.917893	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+NH4+HCOOH"	64.039293
"1184824"	591.282084666667	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+3Na"	68.967654
"1654717"	1773.873288	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Na+HCOOH"	68.994688
"161577"	3486.67624	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+2K-H"	76.91904
"602231"	5191.55484	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+2K-H"	76.91904
"1087471"	1781.79764	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2K-H"	76.91904
"144286"	1743.841758	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"2M+2K"	77.926316
"591869"	2596.281058	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"3M+2K"	77.926316
"1075287"	891.402458	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2K"	77.926316
"1109596"	1783.812192	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2K+H"	78.933592
"1343794"	1783.899807	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+DMSO+H"	79.021207
"1015605"	1787.938976	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2ACN+H"	83.060376
"1534825"	1788.932608	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+IsoProp+Na+H"	84.054008
"1001274"	894.473126	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+2ACN+2H"	84.067652
"1600879"	1789.847228	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+K+HCOOH"	84.968628
"1427999"	1819.878738	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+H+CF3COOH"	115.000138
"1158286"	914.986401	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+3ACN+2H"	125.094202
"1707837"	1836.905285	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+NH4+CF3COOH"	132.026685
"1647862"	1841.86068	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+Na+CF3COOH"	136.98208
"1575863"	1857.83462	"C19877"	"4-O-Phospho-alpha-Kdo-(2-6)-lipid IVA"	"C76H143N2O33P3"	"1704.8786"	"M+K+CF3COOH"	152.95602
"806228"	290.0403	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"977575"	271.02191	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"74564"	192.352924	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"511939"	289.033024	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"880387"	95.672824	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"787"	289.033024	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"444600"	434.053174	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"817904"	144.012874	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"78779"	579.073324	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"520250"	869.113624	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"897688"	289.033024	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"49756"	596.099871	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"487856"	886.140171	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"865173"	306.059571	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"31978"	601.055266	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"472511"	891.095566	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"850314"	311.014966	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1619847"	311.014966	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"95405"	307.021363	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"535821"	452.041513	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"935899"	162.001213	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"280291"	615.050002	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"670161"	905.090302	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1284020"	325.009702	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"30472"	617.029206	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"469419"	907.069506	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"847956"	326.988906	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1568159"	326.988906	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"954949"	335.038494	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"374260"	625.078801	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"351580"	639.094451	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1505884"	349.054151	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"971967"	357.020451	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"123795"	325.009702	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"561894"	470.029852	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1035433"	179.989552	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1254281"	368.959185	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1314908"	371.015172	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1329123"	392.997129	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"917994"	403.025886	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1295795"	439.002564	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1373953"	255.027624	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1389629"	273.0376	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"291140"	581.087876	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"680282"	871.128176	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1356633"	291.047576	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"133896"	291.047576	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"570175"	436.067726	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1038973"	146.027426	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"207235"	194.367476	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"649719"	291.047576	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1166755"	97.687376	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"431123"	598.114423	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"799775"	888.154723	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1692825"	308.074123	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"337825"	299.5608495	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"731340"	444.5809995	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1481878"	154.5406995	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"399464"	603.069818	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"767020"	893.110118	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1609650"	313.029518	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"317862"	302.038547	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"718666"	447.058697	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1471392"	157.018397	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1061357"	105.01469	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1261941"	323.073786	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"379426"	619.043758	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"741514"	909.084058	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1541379"	329.003458	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"301472"	310.025517	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"693530"	455.045667	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1446985"	165.005367	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"243247"	622.114426	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1215955"	332.074126	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1199839"	166.540701	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"193806"	625.05176	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"630082"	915.09206	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1133590"	335.01146	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"173835"	313.029518	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"613277"	458.049668	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1117031"	168.009368	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1398806"	112.342004	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1430359"	337.053046	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"220541"	318.06254	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1511162"	351.10509	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"409267"	321.016488	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"770262"	466.036638	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1666347"	175.996338	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"254690"	644.096368	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1227397"	354.056068	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1714102"	354.079593	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1182746"	119.669318	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1655920"	359.034988	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"161687"	656.99964	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"603434"	947.03994	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1088310"	366.95934	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"144031"	329.003458	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"588699"	474.023608	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1077584"	183.983308	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1107518"	368.973892	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1342810"	369.061507	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1013527"	373.100676	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1533841"	374.094308	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"1001383"	187.053976	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1598802"	375.008928	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1425922"	405.040438	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1157303"	207.567251	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1709040"	422.066985	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1644692"	427.02238	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1575973"	442.99632	"C19878"	"D-glycero-alpha-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"806338"	370.0066	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M"	0
"983153"	350.98821	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H2O-H"	-19.01839
"74674"	245.663790666667	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-3H"	-3.021828
"515330"	368.999324	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-3H"	-3.021828
"887667"	122.328257333333	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-3H"	-3.021828
"1869"	368.999324	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H"	-2.014552
"445803"	554.002624	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H"	-2.014552
"817772"	183.996024	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H"	-2.014552
"79822"	739.005924	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-H"	-1.007276
"523156"	1109.012524	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-H"	-1.007276
"898769"	368.999324	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H"	-1.007276
"48405"	756.032471	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+NH4"	16.019271
"489545"	1126.039071	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+NH4"	16.019271
"867227"	386.025871	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+NH4"	16.019271
"33185"	760.987866	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+Na"	20.974666
"474691"	1130.994466	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+Na"	20.974666
"849573"	390.981266	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+Na"	20.974666
"1622024"	390.981266	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na-2H"	20.974666
"96729"	386.987663	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-H+Cl"	33.962126
"537024"	571.990963	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-H+Cl"	33.962126
"936009"	201.984363	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+Cl"	33.962126
"281981"	774.982602	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Cl"	34.969402
"670635"	1144.989202	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+Cl"	34.969402
"1285225"	404.976002	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl"	34.969402
"31366"	776.961806	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M-2H+K"	36.948606
"468071"	1146.968406	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M-2H+K"	36.948606
"848226"	406.955206	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-2H+K"	36.948606
"1569364"	406.955206	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K-2H"	36.948606
"955424"	415.004794	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+HCOOH"	44.998194
"374734"	785.011401	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+HCOOH-H"	44.998201
"352783"	799.027051	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Hac-H"	59.013851
"1500522"	429.020451	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Hac-H"	59.013851
"969889"	436.986751	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+NaCOOH"	66.980151
"122081"	404.976002	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Cl"	69.938804
"563464"	589.979302	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Cl"	69.938804
"1034450"	219.972702	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2Cl"	69.938804
"1253662"	448.925485	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Br"	78.918885
"1317205"	450.981472	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+HCOOH"	80.974872
"1333608"	472.963429	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+NaCOOH"	102.956829
"923577"	482.992186	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M-H+CF3COOH"	112.985586
"1297000"	518.968864	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Cl+CF3COOH"	148.962264
"1375157"	334.993924	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H-2H2O"	-35.012676
"1390472"	353.0039	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H-H2O"	-17.0027
"288334"	741.020476	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H"	1.007276
"681488"	1111.027076	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H"	1.007276
"1357837"	371.013876	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H"	1.007276
"129995"	371.013876	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2H"	2.014552
"569190"	556.017176	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2H"	2.014552
"1039811"	186.010576	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2H"	2.014552
"205888"	247.678342666667	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+3H"	3.021828
"650923"	371.013876	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+3H"	3.021828
"1169053"	124.342809333333	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+3H"	3.021828
"431233"	758.047023	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+NH4"	18.033823
"796603"	1128.053623	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+NH4"	18.033823
"1690747"	388.040423	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4"	18.033823
"337933"	379.5271495	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+NH4"	19.041099
"730356"	564.5304495	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+NH4"	19.041099
"1481989"	194.5238495	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+NH4"	19.041099
"399574"	763.002418	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Na"	22.989218
"760568"	1133.009018	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+Na"	22.989218
"1608666"	392.995818	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na"	22.989218
"318704"	382.004847	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+Na"	23.996494
"712217"	567.008147	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+Na"	23.996494
"1474783"	197.001547	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+Na"	23.996494
"1060375"	131.670123333333	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2H+Na"	25.00377
"1263145"	403.040086	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+CH3OH+H"	33.033486
"386096"	778.976358	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+K"	38.963158
"743811"	1148.982958	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+K"	38.963158
"1542949"	408.969758	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K"	38.963158
"300488"	389.991817	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+H+K"	39.970434
"695463"	574.995117	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+H+K"	39.970434
"1448190"	204.988517	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+K"	39.970434
"243357"	782.047026	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+ACN+H"	42.033826
"1217158"	412.040426	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+H"	42.033826
"1199950"	206.523851	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+2H"	43.041102
"196102"	784.98436	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Na-H"	44.97116
"630921"	1154.99096	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Na-H"	44.97116
"1132970"	414.97776	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2Na-H"	44.97116
"173707"	392.995818	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2Na"	45.978436
"616549"	577.999118	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2Na"	45.978436
"1117263"	207.992518	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2Na"	45.978436
"1402486"	138.997437333333	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+2Na"	46.985712
"1431321"	417.019346	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+HCOOH"	47.012746
"221502"	398.02884	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+3H2O+2H"	56.04448
"1512732"	431.07139	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+IsoProp+H"	61.06479
"413148"	400.982788	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+Na+K"	61.952376
"773774"	585.986088	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+Na+K"	61.952376
"1669376"	215.979488	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+K"	61.952376
"256622"	804.028968	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+ACN+Na"	64.015768
"1229695"	434.022368	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+ACN+Na"	64.015768
"1716033"	434.045893	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4+HCOOH"	64.039293
"1186138"	146.324751333333	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+3Na"	68.967654
"1659312"	439.001288	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+HCOOH"	68.994688
"168361"	816.93224	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2K-H"	76.91904
"609014"	1186.93884	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2K-H"	76.91904
"1093526"	446.92564	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2K-H"	76.91904
"155815"	408.969758	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"2M+2K"	77.926316
"595370"	593.973058	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"3M+2K"	77.926316
"1083409"	223.966458	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2K"	77.926316
"1108717"	448.940192	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2K+H"	78.933592
"1340733"	449.027807	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+DMSO+H"	79.021207
"1013638"	453.066976	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2ACN+H"	83.060376
"1535044"	454.060608	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+IsoProp+Na+H"	84.054008
"1001493"	227.037126	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+2ACN+2H"	84.067652
"1595996"	454.975228	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K+HCOOH"	84.968628
"1428220"	485.006738	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+H+CF3COOH"	115.000138
"1160694"	247.550401	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+3ACN+2H"	125.094202
"1702589"	502.033285	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+NH4+CF3COOH"	132.026685
"1644801"	506.98868	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+Na+CF3COOH"	136.98208
"1576083"	522.96262	"C19879"	"D-glycero-alpha-D-manno-Heptose 17-bisphosphate"	"C7H16O13P2"	"370.0066"	"M+K+CF3COOH"	152.95602
"806448"	290.0403	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"983264"	271.02191	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"70412"	192.352924	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"514347"	289.033024	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"891056"	95.672824	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"1981"	289.033024	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"442633"	434.053174	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"817880"	144.012874	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"79330"	579.073324	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"520834"	869.113624	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"898881"	289.033024	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"48636"	596.099871	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"488926"	886.140171	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"868432"	306.059571	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"36335"	601.055266	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"474798"	891.095566	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"850535"	311.014966	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1619703"	311.014966	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"97203"	307.021363	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"540417"	452.041513	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"939402"	162.001213	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"281604"	615.050002	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"672931"	905.090302	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1283876"	325.009702	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"31260"	617.029206	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"471297"	907.069506	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"846349"	326.988906	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1570202"	326.988906	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"956264"	335.038494	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"370834"	625.078801	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"352894"	639.094451	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1506104"	349.054151	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"971462"	357.020451	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"117086"	325.009702	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"561751"	470.029852	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1034194"	179.989552	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1251586"	368.959185	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1315129"	371.015172	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1331531"	392.997129	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"925508"	403.025886	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1293829"	439.002564	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1382200"	255.027624	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1390582"	273.0376	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"289174"	581.087876	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"683784"	871.128176	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1357947"	291.047576	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"127554"	291.047576	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"571490"	436.067726	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1038343"	146.027426	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"207461"	194.367476	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"653220"	291.047576	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1168071"	97.687376	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"425874"	598.114423	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"792337"	888.154723	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1681987"	308.074123	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"331845"	299.5608495	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"725724"	444.5809995	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1477718"	154.5406995	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"393725"	603.069818	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"755572"	893.110118	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1609867"	313.029518	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"319176"	302.038547	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"717793"	447.058697	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1463961"	157.018397	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1061578"	105.01469	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1259975"	323.073786	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"380375"	619.043758	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"741734"	909.084058	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1540870"	329.003458	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"298789"	310.025517	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"694845"	455.045667	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1449397"	165.005367	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"239457"	622.114426	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1212895"	332.074126	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1197875"	166.540701	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"189652"	625.05176	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"630306"	915.09206	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1137093"	335.01146	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"173819"	313.029518	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"614718"	458.049668	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1123450"	168.009368	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1399803"	112.342004	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1431190"	337.053046	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"221857"	318.06254	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1512478"	351.10509	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"410342"	321.016488	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"771089"	466.036638	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1669121"	175.996338	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"256369"	644.096368	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1228712"	354.056068	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1714689"	354.079593	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1181874"	119.669318	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1657234"	359.034988	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"161909"	656.99964	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"601469"	947.03994	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1094730"	366.95934	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"148266"	329.003458	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"592200"	474.023608	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1078898"	183.983308	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1111012"	368.973892	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1340843"	369.061507	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1011560"	373.100676	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1532965"	374.094308	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"999413"	187.053976	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1595012"	375.008928	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1422859"	405.040438	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1159711"	207.567251	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1702699"	422.066985	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1644911"	427.02238	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1576193"	442.99632	"C19880"	"D-glycero-alpha-D-manno-Heptose 1-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"813119"	635.0877	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M"	0
"988479"	616.06931	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-H2O-H"	-19.01839
"73802"	422.384524	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M-3H"	-3.021828
"514457"	634.080424	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M-3H"	-3.021828
"892260"	210.688624	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-3H"	-3.021828
"3184"	634.080424	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M-2H"	-2.014552
"442743"	951.624274	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M-2H"	-2.014552
"820545"	316.536574	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-2H"	-2.014552
"78912"	1269.168124	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M-H"	-1.007276
"520096"	1904.255824	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M-H"	-1.007276
"897167"	634.080424	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-H"	-1.007276
"51178"	1286.194671	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M-2H+NH4"	16.019271
"488551"	1921.282371	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M-2H+NH4"	16.019271
"868542"	651.106971	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-2H+NH4"	16.019271
"36445"	1291.150066	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M-2H+Na"	20.974666
"474908"	1926.237766	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M-2H+Na"	20.974666
"850524"	656.062366	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-2H+Na"	20.974666
"1622245"	656.062366	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Na-2H"	20.974666
"98773"	652.068763	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M-H+Cl"	33.962126
"539432"	969.612613	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M-H+Cl"	33.962126
"939512"	334.524913	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-H+Cl"	33.962126
"280986"	1305.144802	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+Cl"	34.969402
"672677"	1940.232502	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+Cl"	34.969402
"1282527"	670.057102	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Cl"	34.969402
"30923"	1307.124006	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M-2H+K"	36.948606
"467564"	1942.211706	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M-2H+K"	36.948606
"841720"	672.036306	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-2H+K"	36.948606
"1565209"	672.036306	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+K-2H"	36.948606
"951998"	680.085894	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-H+HCOOH"	44.998194
"369120"	1315.173601	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+HCOOH-H"	44.998201
"350817"	1329.189251	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+Hac-H"	59.013851
"1500738"	694.101551	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Hac-H"	59.013851
"962814"	702.067851	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-H+NaCOOH"	66.980151
"116097"	670.057102	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+2Cl"	69.938804
"564412"	987.600952	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+2Cl"	69.938804
"1031023"	352.513252	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2Cl"	69.938804
"1245136"	714.006585	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Br"	78.918885
"1311958"	716.062572	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Cl+HCOOH"	80.974872
"1331641"	738.044529	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Cl+NaCOOH"	102.956829
"923795"	748.073286	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M-H+CF3COOH"	112.985586
"1292846"	784.049964	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Cl+CF3COOH"	148.962264
"1380853"	600.075024	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H-2H2O"	-35.012676
"1391785"	618.085	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H-H2O"	-17.0027
"293659"	1271.182676	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+H"	1.007276
"683894"	1906.270376	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+H"	1.007276
"1358057"	636.094976	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H"	1.007276
"128757"	636.094976	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+2H"	2.014552
"571600"	953.638826	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+2H"	2.014552
"1037965"	318.551126	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2H"	2.014552
"207207"	424.399076	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+3H"	3.021828
"646769"	636.094976	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+3H"	3.021828
"1167815"	212.703176	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+3H"	3.021828
"427076"	1288.209223	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+NH4"	18.033823
"791354"	1923.296923	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+NH4"	18.033823
"1682583"	653.121523	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+NH4"	18.033823
"330616"	644.6082495	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+H+NH4"	19.041099
"723117"	962.1520995	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+H+NH4"	19.041099
"1477464"	327.0643995	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H+NH4"	19.041099
"394321"	1293.164618	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+Na"	22.989218
"755681"	1928.252318	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+Na"	22.989218
"1607061"	658.076918	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Na"	22.989218
"316003"	647.085947	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+H+Na"	23.996494
"710613"	964.629797	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+H+Na"	23.996494
"1464069"	329.542097	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H+Na"	23.996494
"1064968"	220.03049	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2H+Na"	25.00377
"1258990"	668.121186	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+CH3OH+H"	33.033486
"378297"	1309.138558	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+K"	38.963158
"742939"	1944.226258	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+K"	38.963158
"1540371"	674.050858	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+K"	38.963158
"299614"	655.072917	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+H+K"	39.970434
"692767"	972.616767	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+H+K"	39.970434
"1447320"	337.529067	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H+K"	39.970434
"237015"	1312.209226	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+ACN+H"	42.033826
"1213370"	677.121526	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+ACN+H"	42.033826
"1194823"	339.064401	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+ACN+2H"	43.041102
"190490"	1315.14656	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+2Na-H"	44.97116
"630780"	1950.23426	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+2Na-H"	44.97116
"1136109"	680.05886	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2Na-H"	44.97116
"173930"	658.076918	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+2Na"	45.978436
"618958"	975.620768	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+2Na"	45.978436
"1120643"	340.533068	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2Na"	45.978436
"1399063"	227.357804	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H+2Na"	46.985712
"1431544"	682.100446	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H+HCOOH"	47.012746
"223789"	663.10994	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+3H2O+2H"	56.04448
"1515868"	696.15249	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+IsoProp+H"	61.06479
"411909"	666.063888	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+Na+K"	61.952376
"771079"	983.607738	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+Na+K"	61.952376
"1666315"	348.520038	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Na+K"	61.952376
"255021"	1334.191168	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+ACN+Na"	64.015768
"1227365"	699.103468	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+ACN+Na"	64.015768
"1715163"	699.126993	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+NH4+HCOOH"	64.039293
"1185264"	234.685118	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+3Na"	68.967654
"1657344"	704.082388	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Na+HCOOH"	68.994688
"165299"	1347.09444	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+2K-H"	76.91904
"604858"	1982.18214	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+2K-H"	76.91904
"1097027"	712.00674	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2K-H"	76.91904
"148376"	674.050858	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"2M+2K"	77.926316
"592310"	991.594708	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"3M+2K"	77.926316
"1081194"	356.507008	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2K"	77.926316
"1107842"	714.021292	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2K+H"	78.933592
"1339858"	714.108907	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+DMSO+H"	79.021207
"1011670"	718.148076	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2ACN+H"	83.060376
"1531981"	719.141708	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+IsoProp+Na+H"	84.054008
"999525"	359.577676	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+2ACN+2H"	84.067652
"1595123"	720.056328	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+K+HCOOH"	84.968628
"1422969"	750.087838	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+H+CF3COOH"	115.000138
"1159821"	380.090951	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+3ACN+2H"	125.094202
"1702809"	767.114385	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+NH4+CF3COOH"	132.026685
"1645021"	772.06978	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+Na+CF3COOH"	136.98208
"1576303"	788.04372	"C19881"	"GDP-D-glycero-alpha-D-manno-heptose"	"C17H27N5O17P2"	"635.0877"	"M+K+CF3COOH"	152.95602
"813229"	290.0403	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"987861"	271.02191	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"71728"	192.352924	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"516394"	289.033024	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"889091"	95.672824	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"3294"	289.033024	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"448320"	434.053174	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"826122"	144.012874	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"79675"	579.073324	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"520325"	869.113624	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"897275"	289.033024	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"51287"	596.099871	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"487273"	886.140171	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"864884"	306.059571	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"33273"	601.055266	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"480489"	891.095566	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"850635"	311.014966	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1621626"	311.014966	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"98886"	307.021363	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"543552"	452.041513	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"940350"	162.001213	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"281096"	615.050002	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"673882"	905.090302	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1285191"	325.009702	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"30544"	617.029206	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"466580"	907.069506	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"843653"	326.988906	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1563132"	326.988906	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"948828"	335.038494	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"367042"	625.078801	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"350559"	639.094451	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1503770"	349.054151	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"967666"	357.020451	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"118395"	325.009702	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"563063"	470.029852	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1032588"	179.989552	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1254361"	368.959185	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1308787"	371.015172	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1328470"	392.997129	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"918436"	403.025886	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1292956"	439.002564	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1374400"	255.027624	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1391895"	273.0376	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"294862"	581.087876	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"681817"	871.128176	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1359260"	291.047576	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"129960"	291.047576	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"571710"	436.067726	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1038439"	146.027426	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"207317"	194.367476	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"646879"	291.047576	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1167197"	97.687376	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"426457"	598.114423	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"788184"	888.154723	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1681366"	308.074123	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"330846"	299.5608495	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"723145"	444.5809995	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1477207"	154.5406995	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"394430"	603.069818	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"757616"	893.110118	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1610087"	313.029518	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"319033"	302.038547	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"710723"	447.058697	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1464542"	157.018397	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1058153"	105.01469	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1260194"	323.073786	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"382051"	619.043758	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"746329"	909.084058	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1540401"	329.003458	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"300817"	310.025517	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"692513"	455.045667	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1448523"	165.005367	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"238218"	622.114426	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1213116"	332.074126	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1195176"	166.540701	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"190600"	625.05176	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"630890"	915.09206	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1135126"	335.01146	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"176592"	313.029518	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"620161"	458.049668	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1120753"	168.009368	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1400995"	112.342004	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1438218"	337.053046	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"222079"	318.06254	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1515978"	351.10509	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"414571"	321.016488	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"771920"	466.036638	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1668980"	175.996338	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"256227"	644.096368	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1229663"	354.056068	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1717455"	354.079593	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1179901"	119.669318	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1657454"	359.034988	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"165409"	656.99964	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"602782"	947.03994	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1094950"	366.95934	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"147392"	329.003458	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"588044"	474.023608	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1078026"	183.983308	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1104672"	368.973892	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1341058"	369.061507	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1017248"	373.100676	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1532093"	374.094308	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"999635"	187.053976	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1597422"	375.008928	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1426361"	405.040438	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1162485"	207.567251	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1702919"	422.066985	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1644038"	427.02238	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1576413"	442.99632	"C19882"	"D-glycero-D-manno-Heptose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"807871"	1976.0288	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M"	0
"989391"	1957.01041	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-H2O-H"	-19.01839
"74025"	1316.34525733333	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M-3H"	-3.021828
"515772"	1975.021524	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M-3H"	-3.021828
"889202"	657.668990666667	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-3H"	-3.021828
"8873"	1975.021524	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M-2H"	-2.014552
"446245"	2963.035924	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M-2H"	-2.014552
"828786"	987.007124	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-2H"	-2.014552
"80759"	3951.050324	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M-H"	-1.007276
"523596"	5927.079124	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M-H"	-1.007276
"896288"	1975.021524	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-H"	-1.007276
"47631"	3968.076871	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M-2H+NH4"	16.019271
"488165"	5944.105671	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M-2H+NH4"	16.019271
"864748"	1992.048071	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-2H+NH4"	16.019271
"32165"	3973.032266	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M-2H+Na"	20.974666
"481328"	5949.061066	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M-2H+Na"	20.974666
"849894"	1997.003466	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-2H+Na"	20.974666
"1620279"	1997.003466	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Na-2H"	20.974666
"100089"	1993.009863	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M-H+Cl"	33.962126
"545486"	2981.024263	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M-H+Cl"	33.962126
"942417"	1004.995463	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-H+Cl"	33.962126
"277198"	3987.027002	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+Cl"	34.969402
"675336"	5963.055802	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+Cl"	34.969402
"1287009"	2010.998202	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Cl"	34.969402
"28587"	3989.006206	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M-2H+K"	36.948606
"464138"	5965.035006	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M-2H+K"	36.948606
"843764"	2012.977406	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-2H+K"	36.948606
"1561056"	2012.977406	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+K-2H"	36.948606
"953313"	2021.026994	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-H+HCOOH"	44.998194
"365695"	3997.055801	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+HCOOH-H"	44.998201
"353224"	4011.071451	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+Hac-H"	59.013851
"1503518"	2035.042651	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Hac-H"	59.013851
"965225"	2043.008951	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-H+NaCOOH"	66.980151
"121788"	2010.998202	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+2Cl"	69.938804
"561713"	2999.012602	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+2Cl"	69.938804
"1031240"	1022.983802	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2Cl"	69.938804
"1256785"	2054.947685	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Br"	78.918885
"1319803"	2057.003672	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Cl+HCOOH"	80.974872
"1328580"	2078.985629	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Cl+NaCOOH"	102.956829
"922919"	2089.014386	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M-H+CF3COOH"	112.985586
"1303519"	2124.991064	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Cl+CF3COOH"	148.962264
"1382289"	1941.016124	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H-2H2O"	-35.012676
"1398250"	1959.0261	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H-H2O"	-17.0027
"294972"	3953.064876	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+H"	1.007276
"680837"	5929.093676	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+H"	1.007276
"1360464"	1977.036076	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H"	1.007276
"130071"	1977.036076	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+2H"	2.014552
"574008"	2965.050476	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+2H"	2.014552
"1043900"	989.021676	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2H"	2.014552
"206333"	1318.35980933333	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+3H"	3.021828
"648081"	1977.036076	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+3H"	3.021828
"1169494"	659.683542666667	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+3H"	3.021828
"427661"	3970.091423	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+NH4"	18.033823
"793761"	5946.120223	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+NH4"	18.033823
"1683166"	1994.062623	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+NH4"	18.033823
"332539"	1985.5493495	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+H+NH4"	19.041099
"723619"	2973.5637495	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+H+NH4"	19.041099
"1478412"	997.5349495	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H+NH4"	19.041099
"394905"	3975.046818	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+Na"	22.989218
"757358"	5951.075618	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+Na"	22.989218
"1610198"	1999.018018	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Na"	22.989218
"317683"	1988.027047	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+H+Na"	23.996494
"710104"	2976.041447	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+H+Na"	23.996494
"1463926"	1000.012647	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H+Na"	23.996494
"1058629"	667.010856666667	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2H+Na"	25.00377
"1263586"	2009.062286	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+CH3OH+H"	33.033486
"382162"	3991.020758	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+K"	38.963158
"747532"	5967.049558	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+K"	38.963158
"1542660"	2014.991958	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+K"	38.963158
"299470"	1996.014017	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+H+K"	39.970434
"694081"	2984.028417	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+H+K"	39.970434
"1447051"	1007.999617	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H+K"	39.970434
"239421"	3994.091426	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+ACN+H"	42.033826
"1213225"	2018.062626	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+ACN+H"	42.033826
"1197107"	1009.534951	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+ACN+2H"	43.041102
"192532"	3997.02876	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+2Na-H"	44.97116
"632093"	5973.05756	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+2Na-H"	44.97116
"1132434"	2020.99996	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2Na-H"	44.97116
"173578"	1999.018018	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+2Na"	45.978436
"614194"	2987.032418	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+2Na"	45.978436
"1119769"	1011.003618	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2Na"	45.978436
"1399524"	674.338170666667	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H+2Na"	46.985712
"1439421"	2023.041546	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H+HCOOH"	47.012746
"221460"	2004.05104	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+3H2O+2H"	56.04448
"1519004"	2037.09359	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+IsoProp+H"	61.06479
"421242"	2007.004988	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+Na+K"	61.952376
"772394"	2995.019388	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+Na+K"	61.952376
"1672006"	1018.990588	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Na+K"	61.952376
"254878"	4016.073368	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+ACN+Na"	64.015768
"1229044"	2040.044568	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+ACN+Na"	64.015768
"1714649"	2040.068093	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+NH4+HCOOH"	64.039293
"1180011"	681.665484666667	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+3Na"	68.967654
"1659751"	2045.023488	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Na+HCOOH"	68.994688
"165519"	4028.97664	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+2K-H"	76.91904
"599974"	6005.00544	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+2K-H"	76.91904
"1095060"	2052.94784	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2K-H"	76.91904
"146409"	2014.991958	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"2M+2K"	77.926316
"587061"	3003.006358	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"3M+2K"	77.926316
"1078136"	1026.977558	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2K"	77.926316
"1103689"	2054.962392	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2K+H"	78.933592
"1340075"	2055.050007	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+DMSO+H"	79.021207
"1016994"	2059.089176	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2ACN+H"	83.060376
"1533297"	2060.082808	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+IsoProp+Na+H"	84.054008
"1000840"	1030.048226	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+2ACN+2H"	84.067652
"1598624"	2060.997428	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+K+HCOOH"	84.968628
"1427564"	2091.028938	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+H+CF3COOH"	115.000138
"1161134"	1050.561501	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+3ACN+2H"	125.094202
"1703029"	2108.055485	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+NH4+CF3COOH"	132.026685
"1645241"	2113.01088	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+Na+CF3COOH"	136.98208
"1576523"	2128.98482	"C19883"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid IVA"	"C89H163N3O40P2"	"1976.0288"	"M+K+CF3COOH"	152.95602
"806888"	1535.9122	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M"	0
"988442"	1516.89381	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-H2O-H"	-19.01839
"69761"	1022.93419066667	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M-3H"	-3.021828
"513695"	1534.904924	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M-3H"	-3.021828
"886032"	510.963457333333	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-3H"	-3.021828
"8983"	1534.904924	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M-2H"	-2.014552
"448542"	2302.861024	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M-2H"	-2.014552
"827437"	766.948824	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-2H"	-2.014552
"79044"	3070.817124	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M-H"	-1.007276
"523706"	4606.729324	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M-H"	-1.007276
"896523"	1534.904924	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-H"	-1.007276
"47984"	3087.843671	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M-2H+NH4"	16.019271
"492164"	4623.755871	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M-2H+NH4"	16.019271
"865589"	1551.931471	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-2H+NH4"	16.019271
"34588"	3092.799066	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M-2H+Na"	20.974666
"475242"	4628.711266	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M-2H+Na"	20.974666
"850125"	1556.886866	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-2H+Na"	20.974666
"1621482"	1556.886866	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Na-2H"	20.974666
"100199"	1552.893263	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M-H+Cl"	33.962126
"546324"	2320.849363	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M-H+Cl"	33.962126
"941192"	784.937163	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-H+Cl"	33.962126
"281445"	3106.793802	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+Cl"	34.969402
"670823"	4642.706002	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+Cl"	34.969402
"1287483"	1570.881602	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Cl"	34.969402
"29427"	3108.773006	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M-2H+K"	36.948606
"466436"	4644.685206	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M-2H+K"	36.948606
"844238"	1572.860806	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-2H+K"	36.948606
"1563354"	1572.860806	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+K-2H"	36.948606
"953059"	1580.910394	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-H+HCOOH"	44.998194
"365077"	3116.822601	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+HCOOH-H"	44.998201
"348962"	3130.838251	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+Hac-H"	59.013851
"1506180"	1594.926051	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Hac-H"	59.013851
"972993"	1602.892351	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-H+NaCOOH"	66.980151
"124695"	1570.881602	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+2Cl"	69.938804
"561823"	2338.837702	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+2Cl"	69.938804
"1031350"	802.925502	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2Cl"	69.938804
"1256407"	1614.831085	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Br"	78.918885
"1319627"	1616.887072	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Cl+HCOOH"	80.974872
"1331973"	1638.869029	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Cl+NaCOOH"	102.956829
"924125"	1648.897786	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M-H+CF3COOH"	112.985586
"1304155"	1684.874464	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Cl+CF3COOH"	148.962264
"1380091"	1500.899524	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H-2H2O"	-35.012676
"1396492"	1518.9095	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H-H2O"	-17.0027
"292897"	3072.831676	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+H"	1.007276
"682041"	4608.743876	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+H"	1.007276
"1356201"	1536.919476	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H"	1.007276
"130183"	1536.919476	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+2H"	2.014552
"573026"	2304.875576	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+2H"	2.014552
"1044012"	768.963376	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2H"	2.014552
"218474"	1024.94874266667	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+3H"	3.021828
"650380"	1536.919476	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+3H"	3.021828
"1170693"	512.978009333333	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+3H"	3.021828
"429591"	3089.858223	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+NH4"	18.033823
"792778"	4625.770423	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+NH4"	18.033823
"1682424"	1553.946023	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+NH4"	18.033823
"331308"	1545.4327495	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+H+NH4"	19.041099
"722995"	2313.3888495	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+H+NH4"	19.041099
"1477427"	777.4766495	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H+NH4"	19.041099
"393435"	3094.813618	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+Na"	22.989218
"758202"	4630.725818	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+Na"	22.989218
"1604475"	1558.901418	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Na"	22.989218
"316700"	1547.910447	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+H+Na"	23.996494
"709121"	2315.866547	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+H+Na"	23.996494
"1463309"	779.954347	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H+Na"	23.996494
"1055823"	520.305323333333	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2H+Na"	25.00377
"1259689"	1568.945686	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+CH3OH+H"	33.033486
"378989"	3110.787558	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+K"	38.963158
"741447"	4646.699758	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+K"	38.963158
"1540702"	1574.875358	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+K"	38.963158
"299944"	1555.897417	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+H+K"	39.970434
"693099"	2323.853517	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+H+K"	39.970434
"1447650"	787.941317	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H+K"	39.970434
"238441"	3113.858226	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+ACN+H"	42.033826
"1213337"	1577.946026	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+ACN+H"	42.033826
"1199772"	789.476651	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+ACN+2H"	43.041102
"195196"	3116.79556	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+2Na-H"	44.97116
"639497"	4652.70776	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+2Na-H"	44.97116
"1138262"	1580.88336	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2Na-H"	44.97116
"174990"	1558.901418	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+2Na"	45.978436
"618560"	2326.857518	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+2Na"	45.978436
"1119879"	790.945318	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2Na"	45.978436
"1402675"	527.632637333333	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H+2Na"	46.985712
"1436614"	1582.924946	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H+HCOOH"	47.012746
"221570"	1563.93444	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+3H2O+2H"	56.04448
"1516197"	1596.97699	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+IsoProp+H"	61.06479
"410413"	1566.888388	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+Na+K"	61.952376
"773964"	2334.844488	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+Na+K"	61.952376
"1674303"	798.932288	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Na+K"	61.952376
"253530"	3135.840168	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+ACN+Na"	64.015768
"1230247"	1599.927968	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+ACN+Na"	64.015768
"1714030"	1599.951493	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+NH4+HCOOH"	64.039293
"1180487"	534.959951333333	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+3Na"	68.967654
"1660954"	1604.906888	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Na+HCOOH"	68.994688
"167816"	3148.74344	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+2K-H"	76.91904
"609208"	4684.65564	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+2K-H"	76.91904
"1096269"	1612.83124	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2K-H"	76.91904
"154543"	1574.875358	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"2M+2K"	77.926316
"595441"	2342.831458	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"3M+2K"	77.926316
"1080433"	806.919258	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2K"	77.926316
"1108174"	1614.845792	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2K+H"	78.933592
"1344564"	1614.933407	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+DMSO+H"	79.021207
"1019904"	1618.972576	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2ACN+H"	83.060376
"1536324"	1619.966208	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+IsoProp+Na+H"	84.054008
"999857"	809.989926	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+2ACN+2H"	84.067652
"1600925"	1620.880828	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+K+HCOOH"	84.968628
"1429018"	1650.912338	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+H+CF3COOH"	115.000138
"1162656"	830.503201	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+3ACN+2H"	125.094202
"1709701"	1667.938885	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+NH4+CF3COOH"	132.026685
"1649484"	1672.89428	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+Na+CF3COOH"	136.98208
"1576633"	1688.86822	"C19884"	"Lipid IIA"	"C73H139N3O26P2"	"1535.9122"	"M+K+CF3COOH"	152.95602
"813563"	2368.3942	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M"	0
"986006"	2349.37581	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-H2O-H"	-19.01839
"73155"	1577.92219066667	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M-3H"	-3.021828
"513810"	2367.386924	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M-3H"	-3.021828
"886142"	788.457457333333	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-3H"	-3.021828
"5811"	2367.386924	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M-2H"	-2.014552
"446466"	3551.584024	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M-2H"	-2.014552
"823172"	1183.189824	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-2H"	-2.014552
"84257"	4735.781124	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M-H"	-1.007276
"521630"	7104.175324	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M-H"	-1.007276
"897245"	2367.386924	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-H"	-1.007276
"52714"	4752.807671	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M-2H+NH4"	16.019271
"490087"	7121.201871	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M-2H+NH4"	16.019271
"872264"	2384.413471	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-2H+NH4"	16.019271
"35790"	4757.763066	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M-2H+Na"	20.974666
"473166"	7126.157266	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M-2H+Na"	20.974666
"850969"	2389.368866	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-2H+Na"	20.974666
"1620501"	2389.368866	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Na-2H"	20.974666
"109389"	2385.375263	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M-H+Cl"	33.962126
"546439"	3569.572363	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M-H+Cl"	33.962126
"941412"	1201.178163	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-H+Cl"	33.962126
"278510"	4771.757802	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+Cl"	34.969402
"673484"	7140.152002	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+Cl"	34.969402
"1283337"	2403.363602	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Cl"	34.969402
"24800"	4773.737006	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M-2H+K"	36.948606
"464359"	7142.131206	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M-2H+K"	36.948606
"841068"	2405.342806	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-2H+K"	36.948606
"1564556"	2405.342806	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+K-2H"	36.948606
"954991"	2413.392394	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-H+HCOOH"	44.998194
"369562"	4781.786601	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+HCOOH-H"	44.998201
"355998"	4795.802251	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+Hac-H"	59.013851
"1502644"	2427.408051	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Hac-H"	59.013851
"965446"	2435.374351	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-H+NaCOOH"	66.980151
"122374"	2403.363602	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+2Cl"	69.938804
"561935"	3587.560702	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+2Cl"	69.938804
"1035839"	1219.166502	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2Cl"	69.938804
"1252135"	2447.313085	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Br"	78.918885
"1313493"	2449.369072	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Cl+HCOOH"	80.974872
"1332814"	2471.351029	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Cl+NaCOOH"	102.956829
"924965"	2481.379786	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M-H+CF3COOH"	112.985586
"1292198"	2517.356464	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Cl+CF3COOH"	148.962264
"1378013"	2333.381524	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H-2H2O"	-35.012676
"1387855"	2351.3915	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H-H2O"	-17.0027
"293006"	4737.795676	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+H"	1.007276
"683241"	7106.189876	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+H"	1.007276
"1357405"	2369.401476	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H"	1.007276
"132483"	2369.401476	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+2H"	2.014552
"578604"	3553.598576	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+2H"	2.014552
"1051779"	1185.204376	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2H"	2.014552
"207652"	1579.93674266667	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+3H"	3.021828
"648306"	2369.401476	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+3H"	3.021828
"1165704"	790.472009333333	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+3H"	3.021828
"426426"	4754.822223	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+NH4"	18.033823
"788880"	7123.216423	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+NH4"	18.033823
"1682291"	2386.428023	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+NH4"	18.033823
"331297"	2377.9147495	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+H+NH4"	19.041099
"724326"	3562.1118495	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+H+NH4"	19.041099
"1478026"	1193.7176495	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H+NH4"	19.041099
"394763"	4759.777618	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+Na"	22.989218
"757220"	7128.171818	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+Na"	22.989218
"1603249"	2391.383418	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Na"	22.989218
"317176"	2380.392447	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+H+Na"	23.996494
"716155"	3564.589547	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+H+Na"	23.996494
"1467791"	1196.195347	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H+Na"	23.996494
"1057024"	797.799323333333	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2H+Na"	25.00377
"1259798"	2401.427686	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+CH3OH+H"	33.033486
"378368"	4775.751558	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+K"	38.963158
"738999"	7144.145758	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+K"	38.963158
"1541422"	2407.357358	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+K"	38.963158
"299447"	2388.379417	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+H+K"	39.970434
"693941"	3572.576517	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+H+K"	39.970434
"1449947"	1204.182317	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H+K"	39.970434
"241833"	4778.822226	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+ACN+H"	42.033826
"1214906"	2410.428026	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+ACN+H"	42.033826
"1199882"	1205.717651	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+ACN+2H"	43.041102
"199681"	4781.75956	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+2Na-H"	44.97116
"640338"	7150.15376	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+2Na-H"	44.97116
"1139832"	2413.36536	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2Na-H"	44.97116
"178020"	2391.383418	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+2Na"	45.978436
"617945"	3575.580518	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+2Na"	45.978436
"1123273"	1207.186318	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2Na"	45.978436
"1407526"	805.126637333333	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H+2Na"	46.985712
"1434538"	2415.406946	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H+HCOOH"	47.012746
"223868"	2396.41644	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+3H2O+2H"	56.04448
"1513391"	2429.45899	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+IsoProp+H"	61.06479
"412714"	2399.370388	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+Na+K"	61.952376
"772616"	3583.567488	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+Na+K"	61.952376
"1671134"	1215.173288	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Na+K"	61.952376
"254742"	4800.804168	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+ACN+Na"	64.015768
"1236930"	2432.409968	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+ACN+Na"	64.015768
"1725818"	2432.433493	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+NH4+HCOOH"	64.039293
"1186798"	812.453951333333	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+3Na"	68.967654
"1661065"	2437.388888	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Na+HCOOH"	68.994688
"170116"	4813.70744	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+2K-H"	76.91904
"609318"	7182.10164	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+2K-H"	76.91904
"1095649"	2445.31324	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2K-H"	76.91904
"149911"	2407.357358	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"2M+2K"	77.926316
"592752"	3591.554458	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"3M+2K"	77.926316
"1081273"	1223.160258	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2K"	77.926316
"1109383"	2447.327792	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2K+H"	78.933592
"1350144"	2447.415407	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+DMSO+H"	79.021207
"1017945"	2451.454576	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2ACN+H"	83.060376
"1537164"	2452.448208	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+IsoProp+Na+H"	84.054008
"999967"	1226.230926	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+2ACN+2H"	84.067652
"1595563"	2453.362828	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+K+HCOOH"	84.968628
"1420130"	2483.394338	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+H+CF3COOH"	115.000138
"1150421"	1246.744201	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+3ACN+2H"	125.094202
"1704346"	2500.420885	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+NH4+CF3COOH"	132.026685
"1639996"	2505.37628	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+Na+CF3COOH"	136.98208
"1576748"	2521.35022	"C19890"	"alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-4-P-L-Ara4N-lipid A"	"C115H211N3O42P2"	"2368.3942"	"M+K+CF3COOH"	152.95602
"807112"	180.0634	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M"	0
"977366"	161.04501	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"69985"	119.034990666667	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"513919"	179.056124	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"884066"	59.0138573333333	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"4827"	179.056124	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"443296"	269.087824	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"818909"	89.024424	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"79627"	359.119524	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"519185"	539.182924	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"896257"	179.056124	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"52824"	376.146071	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"491290"	556.209471	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"869094"	196.082671	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"32739"	381.101466	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"473273"	561.164866	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"848620"	201.038066	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1621703"	201.038066	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"105892"	197.044463	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"546549"	287.076163	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"940063"	107.012763	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"278620"	395.096202	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"671042"	575.159602	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1282354"	215.032802	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"22723"	397.075406	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"463376"	577.138806	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"837899"	217.012006	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1563573"	217.012006	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"955466"	225.061594	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"367486"	405.125001	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"356472"	419.140651	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1502024"	239.077251	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"965558"	247.043551	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"122119"	215.032802	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"564232"	305.064502	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1036923"	125.001102	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1256937"	258.982285	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1311415"	261.038272	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1330737"	283.020229	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"921064"	293.048986	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1293401"	329.025664	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1377029"	145.050724	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1387965"	163.0607	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"293116"	361.134076	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"684444"	541.197476	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1357515"	181.070676	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"132593"	181.070676	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"575434"	271.102376	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1052135"	91.038976	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"209949"	121.049542666667	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"649145"	181.070676	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1166543"	61.0284093333333	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"426533"	378.160623	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"788988"	558.224023	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1683131"	198.097223	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"331775"	189.5839495	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"724926"	279.6156495	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1479111"	99.5522495	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"394874"	383.116018	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"759153"	563.179418	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1606155"	203.052618	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"315828"	192.061647	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"716265"	282.093347	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1465713"	102.029947	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1054581"	68.3557233333333	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1258083"	213.096886	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"377259"	399.089958	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"738742"	579.153358	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1541169"	219.026558	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"299072"	200.048617	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"696238"	290.080317	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1452244"	110.016917	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"240849"	402.160626	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1217932"	222.097226	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1197806"	111.552251	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"200155"	405.09796	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"640447"	585.16136	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1143223"	225.03456	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"179586"	203.052618	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"618055"	293.084318	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1119009"	113.020918	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1404355"	75.6830373333333	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1432096"	227.076146	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"222885"	208.08564	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1514230"	241.12819	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"413917"	211.039588	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"773819"	301.071288	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1671244"	121.007888	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"254487"	424.142568	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1230843"	244.079168	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1721553"	244.102693	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1184356"	83.0103513333333	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1657894"	249.058088	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"168036"	437.04584	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"607965"	617.10924	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1096121"	256.98244	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"151114"	219.026558	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"595050"	309.058258	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1081022"	128.994858	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1111676"	258.996992	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1343690"	259.084607	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1015502"	263.123776	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1533627"	264.117408	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1003722"	132.065526	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1595672"	265.032028	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1416231"	295.063538	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1149438"	152.578801	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1703363"	312.090085	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1640106"	317.04548	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1576858"	333.01942	"C19891"	"1D-chiro-Inositol;124356-Cyclohexane-123456-hexol;()-Inositol"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"807222"	482.3549	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M"	0
"977476"	463.33651	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-H2O-H"	-19.01839
"70095"	320.562657333333	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M-3H"	-3.021828
"514029"	481.347624	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M-3H"	-3.021828
"883083"	159.777690666667	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-3H"	-3.021828
"3844"	481.347624	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M-2H"	-2.014552
"443406"	722.525074	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M-2H"	-2.014552
"818654"	240.170174	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-2H"	-2.014552
"80466"	963.702524	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M-H"	-1.007276
"518805"	1446.057424	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M-H"	-1.007276
"895792"	481.347624	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-H"	-1.007276
"50380"	980.729071	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M-2H+NH4"	16.019271
"488118"	1463.083971	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M-2H+NH4"	16.019271
"869203"	498.374171	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-2H+NH4"	16.019271
"33093"	985.684466	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M-2H+Na"	20.974666
"471680"	1468.039366	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M-2H+Na"	20.974666
"852278"	503.329566	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-2H+Na"	20.974666
"1621812"	503.329566	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Na-2H"	20.974666
"101627"	499.335963	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M-H+Cl"	33.962126
"546657"	740.513413	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M-H+Cl"	33.962126
"939080"	258.158513	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-H+Cl"	33.962126
"277637"	999.679202	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+Cl"	34.969402
"671152"	1482.034102	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+Cl"	34.969402
"1282464"	517.324302	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Cl"	34.969402
"22833"	1001.658406	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M-2H+K"	36.948606
"463486"	1484.013306	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M-2H+K"	36.948606
"835822"	519.303506	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-2H+K"	36.948606
"1560402"	519.303506	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+K-2H"	36.948606
"950473"	527.353094	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-H+HCOOH"	44.998194
"367596"	1009.708001	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+HCOOH-H"	44.998201
"355854"	1023.723651	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+Hac-H"	59.013851
"1500311"	541.368751	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Hac-H"	59.013851
"965668"	549.335051	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-H+NaCOOH"	66.980151
"119678"	517.324302	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+2Cl"	69.938804
"559604"	758.501752	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+2Cl"	69.938804
"1036751"	276.146852	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2Cl"	69.938804
"1255273"	561.273785	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Br"	78.918885
"1310432"	563.329772	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Cl+HCOOH"	80.974872
"1330847"	585.311729	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Cl+NaCOOH"	102.956829
"921174"	595.340486	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M-H+CF3COOH"	112.985586
"1293511"	631.317164	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Cl+CF3COOH"	148.962264
"1377139"	447.342224	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H-2H2O"	-35.012676
"1386981"	465.3522	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H-H2O"	-17.0027
"292133"	965.717076	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+H"	1.007276
"683461"	1448.071976	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+H"	1.007276
"1358718"	483.362176	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H"	1.007276
"126870"	483.362176	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+2H"	2.014552
"570440"	724.539626	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+2H"	2.014552
"1050905"	242.184726	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2H"	2.014552
"209694"	322.577209333333	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+3H"	3.021828
"648160"	483.362176	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+3H"	3.021828
"1166653"	161.792242666667	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+3H"	3.021828
"427374"	982.743623	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+NH4"	18.033823
"788734"	1465.098523	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+NH4"	18.033823
"1682511"	500.388723	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+NH4"	18.033823
"331519"	491.8754495	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+H+NH4"	19.041099
"724305"	733.0528995	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+H+NH4"	19.041099
"1479948"	250.6979995	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H+NH4"	19.041099
"393646"	987.699018	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+Na"	22.989218
"757804"	1470.053918	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+Na"	22.989218
"1606265"	505.344118	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Na"	22.989218
"315572"	494.353147	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+H+Na"	23.996494
"718562"	735.530597	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+H+Na"	23.996494
"1466916"	253.175697	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H+Na"	23.996494
"1056149"	169.119556666667	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2H+Na"	25.00377
"1259651"	515.388386	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+CH3OH+H"	33.033486
"377574"	1003.672958	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+K"	38.963158
"738771"	1486.027858	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+K"	38.963158
"1540179"	521.318058	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+K"	38.963158
"299297"	502.340117	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+H+K"	39.970434
"693064"	743.517567	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+H+K"	39.970434
"1447979"	261.162667	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H+K"	39.970434
"239865"	1006.743626	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+ACN+H"	42.033826
"1211480"	524.388726	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+ACN+H"	42.033826
"1196093"	262.698001	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+ACN+2H"	43.041102
"198078"	1009.68096	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+2Na-H"	44.97116
"635816"	1492.03586	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+2Na-H"	44.97116
"1138230"	527.32606	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2Na-H"	44.97116
"178601"	505.344118	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+2Na"	45.978436
"613421"	746.521568	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+2Na"	45.978436
"1117658"	264.166668	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2Na"	45.978436
"1399479"	176.446870666667	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H+2Na"	46.985712
"1429892"	529.367646	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H+HCOOH"	47.012746
"223724"	510.37714	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+3H2O+2H"	56.04448
"1514704"	543.41969	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+IsoProp+H"	61.06479
"412934"	513.331088	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+Na+K"	61.952376
"772836"	754.508538	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+Na+K"	61.952376
"1671354"	272.153638	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Na+K"	61.952376
"254597"	1028.725568	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+ACN+Na"	64.015768
"1232046"	546.370668	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+ACN+Na"	64.015768
"1721663"	546.394193	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+NH4+HCOOH"	64.039293
"1179605"	183.774184666667	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+3Na"	68.967654
"1658368"	551.349588	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Na+HCOOH"	68.994688
"167418"	1041.62884	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+2K-H"	76.91904
"607711"	1523.98374	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+2K-H"	76.91904
"1095503"	559.27394	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2K-H"	76.91904
"151224"	521.318058	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"2M+2K"	77.926316
"595525"	762.495508	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"3M+2K"	77.926316
"1081132"	280.140608	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2K"	77.926316
"1109600"	561.288492	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2K+H"	78.933592
"1341614"	561.376107	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+DMSO+H"	79.021207
"1015612"	565.415276	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2ACN+H"	83.060376
"1533737"	566.408908	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+IsoProp+Na+H"	84.054008
"1003103"	283.211276	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+2ACN+2H"	84.067652
"1594689"	567.323528	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+K+HCOOH"	84.968628
"1416341"	597.355038	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+H+CF3COOH"	115.000138
"1149548"	303.724551	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+3ACN+2H"	125.094202
"1703473"	614.381585	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+NH4+CF3COOH"	132.026685
"1640216"	619.33698	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+Na+CF3COOH"	136.98208
"1576968"	635.31092	"C19892"	"4-Apo-betapsi-caroten-4-al;beta-Apo-4-carotenal"	"C35H46O"	"482.3549"	"M+K+CF3COOH"	152.95602
"812800"	222.1984	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M"	0
"977586"	203.18001	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"73486"	147.124990666667	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"514140"	221.191124	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"883193"	73.0588573333333	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"6141"	221.191124	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"446796"	332.290324	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"821316"	110.091924	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"83494"	443.389524	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"521959"	665.587924	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"897331"	221.191124	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"54137"	460.416071	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"490417"	682.614471	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"869314"	238.217671	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"35028"	465.371466	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"473493"	687.569866	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"850205"	243.173066	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1623016"	243.173066	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"101737"	239.179463	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"548474"	350.278663	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"941744"	128.080263	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"277747"	479.366202	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"670170"	701.564602	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1286584"	257.167802	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"21850"	481.345406	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"464692"	703.543806	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"838120"	259.147006	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1560515"	259.147006	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"953865"	267.196594	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"372082"	489.395001	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"359976"	503.410651	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1500421"	281.212251	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"967602"	289.178551	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"123070"	257.167802	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"563360"	368.267002	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1036417"	146.068602	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1256844"	301.117285	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1312731"	303.173272	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1328041"	325.155229	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"923474"	335.183986	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1290341"	371.160664	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1371783"	187.185724	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1388186"	205.1957	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"287872"	445.404076	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"680293"	667.602476	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1355549"	223.205676	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"136094"	223.205676	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"578935"	334.304876	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1049922"	112.106476	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"209806"	149.139542666667	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"647541"	223.205676	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1166763"	75.0734093333333	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"427483"	462.430623	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"790666"	684.629023	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1684811"	240.232223	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"332359"	231.7189495	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"725875"	342.8181495	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1478964"	120.6197495	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"396555"	467.386018	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"757184"	689.584418	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1605649"	245.187618	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"317870"	234.196647	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"719767"	345.295847	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1466663"	123.097447	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1056994"	82.4007233333333	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1260857"	255.231886	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"378339"	483.359958	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"740794"	705.558358	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1541387"	261.161558	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"301847"	242.183617	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"695727"	353.282817	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1448091"	131.084417	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"241070"	486.430626	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1217058"	264.232226	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1202038"	132.619751	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"200378"	489.36796	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"638480"	711.56636	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1139068"	267.16956	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"179443"	245.187618	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"613411"	356.286818	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1121049"	134.088418	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1399834"	89.7280373333333	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1433046"	269.211146	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"228575"	250.22064	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1513357"	283.26319	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"414137"	253.174588	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"771485"	364.273788	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1671465"	142.075388	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"254707"	508.412568	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1231062"	286.214168	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1719950"	286.237693	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1182753"	97.0553513333333	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1657386"	291.193088	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"168261"	521.31584	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"610007"	743.51424	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1095612"	299.11744	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"151333"	261.161558	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"588708"	372.260758	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1071034"	150.062358	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1107524"	301.131992	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1346464"	301.219607	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1019734"	305.258776	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1538834"	306.252408	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1004307"	153.133026	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1592612"	307.167028	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1419367"	337.198538	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1151844"	173.646301	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1701396"	354.225085	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1637046"	359.18048	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1586919"	375.15442	"C19893"	"10-epi-gamma-Eudesmol;10alpha-Eudesm-4-en-11-ol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"807442"	572.4593	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M"	0
"976599"	553.44091	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-H2O-H"	-19.01839
"73596"	380.632257333333	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M-3H"	-3.021828
"515344"	571.452024	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M-3H"	-3.021828
"881843"	189.812490666667	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-3H"	-3.021828
"4064"	571.452024	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M-2H"	-2.014552
"442533"	857.681674	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M-2H"	-2.014552
"819969"	285.222374	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-2H"	-2.014552
"82147"	1143.911324	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M-H"	-1.007276
"522436"	1716.370624	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M-H"	-1.007276
"896466"	571.452024	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-H"	-1.007276
"49023"	1160.937871	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M-2H+NH4"	16.019271
"488461"	1733.397171	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M-2H+NH4"	16.019271
"865778"	588.478571	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-2H+NH4"	16.019271
"35138"	1165.893266	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M-2H+Na"	20.974666
"472752"	1738.352566	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M-2H+Na"	20.974666
"851408"	593.433966	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-2H+Na"	20.974666
"1623126"	593.433966	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Na-2H"	20.974666
"97468"	589.440363	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M-H+Cl"	33.962126
"549474"	875.670013	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M-H+Cl"	33.962126
"941123"	303.210713	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-H+Cl"	33.962126
"276763"	1179.888002	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+Cl"	34.969402
"669187"	1752.347302	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+Cl"	34.969402
"1279403"	607.428702	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Cl"	34.969402
"21960"	1181.867206	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M-2H+K"	36.948606
"462615"	1754.326506	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M-2H+K"	36.948606
"840417"	609.407906	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-2H+K"	36.948606
"1560625"	609.407906	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+K-2H"	36.948606
"953975"	617.457494	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-H+HCOOH"	44.998194
"370004"	1189.916801	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+HCOOH-H"	44.998201
"356076"	1203.932451	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+Hac-H"	59.013851
"1499439"	631.473151	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Hac-H"	59.013851
"968076"	639.439451	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-H+NaCOOH"	66.980151
"121358"	607.428702	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+2Cl"	69.938804
"559824"	893.658352	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+2Cl"	69.938804
"1034821"	321.199052	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2Cl"	69.938804
"1254764"	651.378185	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Br"	78.918885
"1312841"	653.434172	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Cl+HCOOH"	80.974872
"1328151"	675.416129	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Cl+NaCOOH"	102.956829
"920304"	685.444886	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M-H+CF3COOH"	112.985586
"1291909"	721.421564	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Cl+CF3COOH"	148.962264
"1367152"	537.446624	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H-2H2O"	-35.012676
"1385016"	555.4566	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H-H2O"	-17.0027
"285795"	1145.925876	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+H"	1.007276
"680403"	1718.385176	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+H"	1.007276
"1355659"	573.466576	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H"	1.007276
"127091"	573.466576	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+2H"	2.014552
"571391"	859.696226	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+2H"	2.014552
"1046752"	287.236926	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2H"	2.014552
"210645"	382.646809333333	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+3H"	3.021828
"647290"	573.466576	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+3H"	3.021828
"1166509"	191.827042666667	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+3H"	3.021828
"427960"	1162.952423	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+NH4"	18.033823
"791141"	1735.411723	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+NH4"	18.033823
"1682128"	590.493123	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+NH4"	18.033823
"331377"	581.9798495	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+H+NH4"	19.041099
"724893"	868.2094995	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+H+NH4"	19.041099
"1479075"	295.7501995	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H+NH4"	19.041099
"395572"	1167.907818	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+Na"	22.989218
"755838"	1740.367118	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+Na"	22.989218
"1606489"	595.448518	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Na"	22.989218
"315794"	584.457547	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+H+Na"	23.996494
"714410"	870.687197	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+H+Na"	23.996494
"1467137"	298.227897	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H+Na"	23.996494
"1056013"	199.154356666667	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2H+Na"	25.00377
"1260239"	605.492786	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+CH3OH+H"	33.033486
"380636"	1183.881758	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+K"	38.963158
"741997"	1756.341058	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+K"	38.963158
"1541011"	611.422458	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+K"	38.963158
"300864"	592.444517	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+H+K"	39.970434
"694745"	878.674167	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+H+K"	39.970434
"1451481"	306.214867	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H+K"	39.970434
"241180"	1186.952426	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+ACN+H"	42.033826
"1216075"	614.493126	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+ACN+H"	42.033826
"1204335"	307.750201	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+ACN+2H"	43.041102
"201217"	1189.88976	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+2Na-H"	44.97116
"637860"	1762.34906	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+2Na-H"	44.97116
"1138086"	617.43046	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2Na-H"	44.97116
"178825"	595.448518	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+2Na"	45.978436
"615466"	881.678168	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+2Na"	45.978436
"1118972"	309.218868	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2Na"	45.978436
"1401401"	206.481670666667	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H+2Na"	46.985712
"1434614"	619.472046	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H+HCOOH"	47.012746
"228685"	600.48154	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+3H2O+2H"	56.04448
"1517840"	633.52409	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+IsoProp+H"	61.06479
"414247"	603.435488	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+Na+K"	61.952376
"773054"	889.665138	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+Na+K"	61.952376
"1670482"	317.205838	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Na+K"	61.952376
"254817"	1208.934368	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+ACN+Na"	64.015768
"1229350"	636.475068	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+ACN+Na"	64.015768
"1715684"	636.498593	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+NH4+HCOOH"	64.039293
"1178484"	213.808984666667	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+3Na"	68.967654
"1654944"	641.453988	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Na+HCOOH"	68.994688
"166182"	1221.83764	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+2K-H"	76.91904
"603919"	1794.29694	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+2K-H"	76.91904
"1090254"	649.37834	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2K-H"	76.91904
"145975"	611.422458	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"2M+2K"	77.926316
"584443"	897.652108	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"3M+2K"	77.926316
"1074423"	325.192808	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2K"	77.926316
"1105447"	651.392892	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2K+H"	78.933592
"1344021"	651.480507	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+DMSO+H"	79.021207
"1014741"	655.519676	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2ACN+H"	83.060376
"1535054"	656.513308	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+IsoProp+Na+H"	84.054008
"1001502"	328.263476	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+2ACN+2H"	84.067652
"1592722"	657.427928	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+K+HCOOH"	84.968628
"1419475"	687.459438	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+H+CF3COOH"	115.000138
"1149035"	348.776751	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+3ACN+2H"	125.094202
"1702599"	704.485985	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+NH4+CF3COOH"	132.026685
"1634183"	709.44138	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+Na+CF3COOH"	136.98208
"1577188"	725.41532	"C19894"	"11-Dihydroxy-1122-tetrahydrolycopene;11-Dihydroxylycopene"	"C40H60O2"	"572.4593"	"M+K+CF3COOH"	152.95602
"807552"	254.0943	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M"	0
"976709"	235.07591	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-H2O-H"	-19.01839
"74800"	168.388924	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M-3H"	-3.021828
"516184"	253.087024	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M-3H"	-3.021828
"881226"	83.690824	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-3H"	-3.021828
"6362"	253.087024	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M-2H"	-2.014552
"441914"	380.134174	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M-2H"	-2.014552
"819713"	126.039874	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-2H"	-2.014552
"81893"	507.181324	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M-H"	-1.007276
"523639"	761.275624	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M-H"	-1.007276
"897186"	253.087024	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-H"	-1.007276
"49983"	524.207871	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M-2H+NH4"	16.019271
"488936"	778.302171	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M-2H+NH4"	16.019271
"867346"	270.113571	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-2H+NH4"	16.019271
"36341"	529.163266	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M-2H+Na"	20.974666
"472860"	783.257566	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M-2H+Na"	20.974666
"849933"	275.068966	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-2H+Na"	20.974666
"1622143"	275.068966	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Na-2H"	20.974666
"96848"	271.075363	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M-H+Cl"	33.962126
"549925"	398.122513	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M-H+Cl"	33.962126
"941475"	144.028213	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-H+Cl"	33.962126
"276873"	543.158002	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+Cl"	34.969402
"669297"	797.252302	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+Cl"	34.969402
"1279513"	289.063702	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Cl"	34.969402
"20977"	545.137206	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M-2H+K"	36.948606
"462725"	799.231506	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M-2H+K"	36.948606
"842714"	291.042906	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-2H+K"	36.948606
"1560735"	291.042906	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+K-2H"	36.948606
"950805"	299.092494	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-H+HCOOH"	44.998194
"369021"	553.186801	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+HCOOH-H"	44.998201
"352906"	567.202451	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+Hac-H"	59.013851
"1497362"	313.108151	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Hac-H"	59.013851
"967090"	321.074451	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-H+NaCOOH"	66.980151
"119282"	289.063702	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+2Cl"	69.938804
"558842"	416.110852	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+2Cl"	69.938804
"1034930"	162.016552	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2Cl"	69.938804
"1252689"	333.013185	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Br"	78.918885
"1306023"	335.069172	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Cl+HCOOH"	80.974872
"1328261"	357.051129	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Cl+NaCOOH"	102.956829
"920414"	367.079886	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M-H+CF3COOH"	112.985586
"1292748"	403.056564	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Cl+CF3COOH"	148.962264
"1367384"	219.081624	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H-2H2O"	-35.012676
"1385126"	237.0916	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H-H2O"	-17.0027
"285905"	509.195876	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+H"	1.007276
"680513"	763.290176	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+H"	1.007276
"1354676"	255.101576	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H"	1.007276
"126835"	255.101576	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+2H"	2.014552
"568583"	382.148726	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+2H"	2.014552
"1043582"	128.054426	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2H"	2.014552
"209662"	170.403476	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+3H"	3.021828
"647400"	255.101576	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+3H"	3.021828
"1166619"	85.705376	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+3H"	3.021828
"426976"	526.222423	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+NH4"	18.033823
"791615"	780.316723	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+NH4"	18.033823
"1682482"	272.128123	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+NH4"	18.033823
"332581"	263.6148495	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+H+NH4"	19.041099
"725732"	390.6619995	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+H+NH4"	19.041099
"1478457"	136.5676995	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H+NH4"	19.041099
"394589"	531.177818	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+Na"	22.989218
"755218"	785.272118	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+Na"	22.989218
"1604655"	277.083518	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Na"	22.989218
"314811"	266.092547	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+H+Na"	23.996494
"717800"	393.139697	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+H+Na"	23.996494
"1466152"	139.045397	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H+Na"	23.996494
"1056123"	93.03269	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2H+Na"	25.00377
"1259986"	287.127786	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+CH3OH+H"	33.033486
"378803"	547.151758	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+K"	38.963158
"739678"	801.246058	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+K"	38.963158
"1541609"	293.057458	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+K"	38.963158
"299514"	274.079517	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+H+K"	39.970434
"693398"	401.126667	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+H+K"	39.970434
"1448312"	147.032367	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H+K"	39.970434
"239103"	550.222426	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+ACN+H"	42.033826
"1216185"	296.128126	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+ACN+H"	42.033826
"1203352"	148.567701	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+ACN+2H"	43.041102
"201691"	553.15976	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+2Na-H"	44.97116
"639064"	807.25406	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+2Na-H"	44.97116
"1138196"	299.06546	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2Na-H"	44.97116
"178207"	277.083518	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+2Na"	45.978436
"614481"	404.130668	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+2Na"	45.978436
"1118475"	150.036368	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2Na"	45.978436
"1400904"	100.360004	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H+2Na"	46.985712
"1433631"	301.107046	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H+HCOOH"	47.012746
"228795"	282.11654	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+3H2O+2H"	56.04448
"1517950"	315.15909	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+IsoProp+H"	61.06479
"414357"	285.070488	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+Na+K"	61.952376
"772799"	412.117638	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+Na+K"	61.952376
"1669496"	158.023338	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Na+K"	61.952376
"253341"	572.204368	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+ACN+Na"	64.015768
"1227273"	318.110068	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+ACN+Na"	64.015768
"1716523"	318.133593	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+NH4+HCOOH"	64.039293
"1181515"	107.687318	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+3Na"	68.967654
"1651773"	323.088988	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Na+HCOOH"	68.994688
"164105"	585.10764	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+2K-H"	76.91904
"601479"	839.20194	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+2K-H"	76.91904
"1087082"	331.01334	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2K-H"	76.91904
"144991"	293.057458	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"2M+2K"	77.926316
"582479"	420.104608	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"3M+2K"	77.926316
"1069059"	166.010308	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2K"	77.926316
"1101545"	333.027892	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2K+H"	78.933592
"1344131"	333.115507	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+DMSO+H"	79.021207
"1015945"	337.154676	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2ACN+H"	83.060376
"1536257"	338.148308	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+IsoProp+Na+H"	84.054008
"1002705"	169.080976	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+2ACN+2H"	84.067652
"1592832"	339.062928	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+K+HCOOH"	84.968628
"1420678"	369.094438	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+H+CF3COOH"	115.000138
"1148781"	189.594251	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+3ACN+2H"	125.094202
"1700523"	386.120985	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+NH4+CF3COOH"	132.026685
"1634466"	391.07638	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+Na+CF3COOH"	136.98208
"1577298"	407.05032	"C19895"	"4-Methoxyflavanone"	"C16H14O3"	"254.0943"	"M+K+CF3COOH"	152.95602
"810942"	240.0786	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M"	0
"981193"	221.06021	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H2O-H"	-19.01839
"73813"	159.045124	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-3H"	-3.021828
"517384"	239.071324	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-3H"	-3.021828
"882064"	79.018924	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-3H"	-3.021828
"5013"	239.071324	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H"	-2.014552
"443847"	359.110624	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H"	-2.014552
"820917"	119.032024	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H"	-2.014552
"82731"	479.149924	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H"	-1.007276
"521197"	719.228524	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H"	-1.007276
"898998"	239.071324	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H"	-1.007276
"50821"	496.176471	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+NH4"	16.019271
"491841"	736.255071	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+NH4"	16.019271
"870737"	256.097871	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+NH4"	16.019271
"32562"	501.131866	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+Na"	20.974666
"473093"	741.210466	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+Na"	20.974666
"849801"	261.053266	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+Na"	20.974666
"1622253"	261.053266	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na-2H"	20.974666
"96594"	257.059663	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-H+Cl"	33.962126
"549893"	377.098963	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-H+Cl"	33.962126
"938426"	137.020363	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+Cl"	33.962126
"282454"	515.126602	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Cl"	34.969402
"670501"	755.205202	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Cl"	34.969402
"1285091"	275.048002	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl"	34.969402
"24367"	517.105806	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M-2H+K"	36.948606
"466115"	757.184406	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M-2H+K"	36.948606
"841731"	277.027206	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-2H+K"	36.948606
"1561938"	277.027206	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K-2H"	36.948606
"950914"	285.076794	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+HCOOH"	44.998194
"371319"	525.155401	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+HCOOH-H"	44.998201
"354109"	539.171051	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Hac-H"	59.013851
"1498567"	299.092451	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Hac-H"	59.013851
"963919"	307.058751	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+NaCOOH"	66.980151
"118297"	275.048002	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Cl"	69.938804
"557857"	395.087302	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Cl"	69.938804
"1035404"	155.008702	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Cl"	69.938804
"1254986"	318.997485	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Br"	78.918885
"1310872"	321.053472	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+HCOOH"	80.974872
"1331651"	343.035429	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+NaCOOH"	102.956829
"922710"	353.064186	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M-H+CF3COOH"	112.985586
"1293952"	389.040864	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Cl+CF3COOH"	148.962264
"1369924"	205.065924	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-2H2O"	-35.012676
"1388516"	223.0759	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H-H2O"	-17.0027
"288202"	481.164476	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H"	1.007276
"680623"	721.243076	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H"	1.007276
"1354421"	241.085876	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H"	1.007276
"128037"	241.085876	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2H"	2.014552
"569058"	361.125176	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2H"	2.014552
"1045879"	121.046576	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H"	2.014552
"210501"	161.059676	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H"	3.021828
"648239"	241.085876	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+3H"	3.021828
"1165636"	81.033476	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3H"	3.021828
"427815"	498.191023	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+NH4"	18.033823
"790268"	738.269623	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+NH4"	18.033823
"1685143"	258.112423	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4"	18.033823
"331235"	249.5991495	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+NH4"	19.041099
"724749"	369.6384495	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+NH4"	19.041099
"1480022"	129.5598495	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+NH4"	19.041099
"393360"	503.146418	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na"	22.989218
"754675"	743.225018	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na"	22.989218
"1606710"	263.067818	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na"	22.989218
"317108"	252.076847	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+Na"	23.996494
"717910"	372.116147	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+Na"	23.996494
"1466264"	132.037547	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+Na"	23.996494
"1055131"	88.36079	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2H+Na"	25.00377
"1259365"	273.112086	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+CH3OH+H"	33.033486
"379035"	519.120358	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+K"	38.963158
"739303"	759.198958	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+K"	38.963158
"1540420"	279.041758	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K"	38.963158
"298815"	260.063817	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+H+K"	39.970434
"691804"	380.103117	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+H+K"	39.970434
"1447691"	140.024517	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+K"	39.970434
"237023"	522.191026	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+H"	42.033826
"1213015"	282.112426	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+H"	42.033826
"1207108"	141.559851	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+2H"	43.041102
"199978"	525.12836	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na-H"	44.97116
"634800"	765.20696	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na-H"	44.97116
"1136483"	285.04976	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na-H"	44.97116
"177224"	263.067818	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2Na"	45.978436
"614957"	383.107118	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2Na"	45.978436
"1121015"	143.028518	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2Na"	45.978436
"1401620"	95.688104	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+2Na"	46.985712
"1432276"	287.091346	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+HCOOH"	47.012746
"229997"	268.10084	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+3H2O+2H"	56.04448
"1515872"	301.14339	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+H"	61.06479
"413373"	271.054788	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+Na+K"	61.952376
"772909"	391.094088	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+Na+K"	61.952376
"1667051"	151.015488	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+K"	61.952376
"253575"	544.172968	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+ACN+Na"	64.015768
"1230299"	304.094368	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+ACN+Na"	64.015768
"1716997"	304.117893	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+HCOOH"	64.039293
"1181625"	103.015418	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3Na"	68.967654
"1651883"	309.073288	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+HCOOH"	68.994688
"165309"	557.07624	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K-H"	76.91904
"605598"	797.15484	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K-H"	76.91904
"1089380"	316.99764	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K-H"	76.91904
"150568"	279.041758	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"2M+2K"	77.926316
"582474"	399.081058	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"3M+2K"	77.926316
"1069902"	159.002458	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K"	77.926316
"1101292"	319.012192	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2K+H"	78.933592
"1345335"	319.099807	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+DMSO+H"	79.021207
"1017148"	323.138976	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+H"	83.060376
"1535274"	324.132608	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+IsoProp+Na+H"	84.054008
"1001722"	162.073126	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+2ACN+2H"	84.067652
"1592942"	325.047228	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+HCOOH"	84.968628
"1422975"	355.078738	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+H+CF3COOH"	115.000138
"1151078"	182.586401	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+3ACN+2H"	125.094202
"1700633"	372.105285	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+NH4+CF3COOH"	132.026685
"1634817"	377.06068	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+Na+CF3COOH"	136.98208
"1577408"	393.03462	"C19896"	"4-Hydroxyflavanone"	"C15H12O3"	"240.0786"	"M+K+CF3COOH"	152.95602
"807772"	245.0913	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M"	0
"978023"	226.07291	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-H2O-H"	-19.01839
"70643"	162.386924	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M-3H"	-3.021828
"514578"	244.084024	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M-3H"	-3.021828
"880838"	80.689824	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-3H"	-3.021828
"3301"	244.084024	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M-2H"	-2.014552
"443957"	366.629674	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M-2H"	-2.014552
"820664"	121.538374	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-2H"	-2.014552
"87216"	489.175324	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M-H"	-1.007276
"524589"	734.266624	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M-H"	-1.007276
"903483"	244.084024	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-H"	-1.007276
"50203"	506.201871	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M-2H+NH4"	16.019271
"489764"	751.293171	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M-2H+NH4"	16.019271
"869753"	261.110571	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-2H+NH4"	16.019271
"33280"	511.157266	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M-2H+Na"	20.974666
"473933"	756.248566	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M-2H+Na"	20.974666
"849058"	266.065966	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-2H+Na"	20.974666
"1620175"	266.065966	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Na-2H"	20.974666
"98889"	262.072363	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M-H+Cl"	33.962126
"549729"	384.618013	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M-H+Cl"	33.962126
"938536"	139.526713	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-H+Cl"	33.962126
"281105"	525.152002	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+Cl"	34.969402
"668422"	770.243302	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+Cl"	34.969402
"1283014"	280.060702	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Cl"	34.969402
"24477"	527.131206	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M-2H+K"	36.948606
"465131"	772.222506	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M-2H+K"	36.948606
"842934"	282.039906	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-2H+K"	36.948606
"1564235"	282.039906	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+K-2H"	36.948606
"953211"	290.089494	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-H+HCOOH"	44.998194
"371429"	535.180801	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+HCOOH-H"	44.998201
"354219"	549.196451	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+Hac-H"	59.013851
"1499770"	304.105151	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Hac-H"	59.013851
"967310"	312.071451	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-H+NaCOOH"	66.980151
"121687"	280.060702	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+2Cl"	69.938804
"556874"	402.606352	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+2Cl"	69.938804
"1035514"	157.515052	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2Cl"	69.938804
"1254002"	324.010185	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Br"	78.918885
"1310982"	326.066172	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Cl+HCOOH"	80.974872
"1331761"	348.048129	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Cl+NaCOOH"	102.956829
"922821"	358.076886	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M-H+CF3COOH"	112.985586
"1292969"	394.053564	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Cl+CF3COOH"	148.962264
"1368942"	210.078624	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H-2H2O"	-35.012676
"1388626"	228.0886	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H-H2O"	-17.0027
"288312"	491.189876	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+H"	1.007276
"678547"	736.281176	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+H"	1.007276
"1357083"	246.098576	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H"	1.007276
"127056"	246.098576	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+2H"	2.014552
"567710"	368.644226	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+2H"	2.014552
"1039062"	123.552926	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2H"	2.014552
"209516"	164.401476	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+3H"	3.021828
"645430"	246.098576	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+3H"	3.021828
"1165381"	82.704376	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+3H"	3.021828
"429748"	508.216423	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+NH4"	18.033823
"790379"	753.307723	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+NH4"	18.033823
"1683062"	263.125123	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+NH4"	18.033823
"330290"	254.6118495	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+H+NH4"	19.041099
"726316"	377.1574995	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+H+NH4"	19.041099
"1477705"	132.0661995	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H+NH4"	19.041099
"394809"	513.171818	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+Na"	22.989218
"754711"	758.263118	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+Na"	22.989218
"1604025"	268.080518	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Na"	22.989218
"320136"	257.089547	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+H+Na"	23.996494
"714740"	379.635197	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+H+Na"	23.996494
"1465281"	134.543897	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H+Na"	23.996494
"1056338"	90.03169	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2H+Na"	25.00377
"1258020"	278.124786	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+CH3OH+H"	33.033486
"379874"	529.145758	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+K"	38.963158
"740141"	774.237058	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+K"	38.963158
"1540855"	284.054458	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+K"	38.963158
"298755"	265.076517	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+H+K"	39.970434
"691670"	387.622167	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+H+K"	39.970434
"1447074"	142.530867	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H+K"	39.970434
"239321"	532.216426	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+ACN+H"	42.033826
"1213125"	287.125126	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+ACN+H"	42.033826
"1205760"	144.066201	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+ACN+2H"	43.041102
"200087"	535.15376	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+2Na-H"	44.97116
"640013"	780.24506	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+2Na-H"	44.97116
"1138416"	290.06246	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2Na-H"	44.97116
"177334"	268.080518	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+2Na"	45.978436
"616527"	390.626168	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+2Na"	45.978436
"1123677"	145.534868	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2Na"	45.978436
"1401733"	97.359004	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H+2Na"	46.985712
"1431663"	292.104046	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H+HCOOH"	47.012746
"231202"	273.11354	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+3H2O+2H"	56.04448
"1518170"	306.15609	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+IsoProp+H"	61.06479
"415672"	276.067488	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+Na+K"	61.952376
"771562"	398.613138	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+Na+K"	61.952376
"1667525"	153.521838	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Na+K"	61.952376
"252592"	554.198368	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+ACN+Na"	64.015768
"1232233"	309.107068	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+ACN+Na"	64.015768
"1715288"	309.130593	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+NH4+HCOOH"	64.039293
"1182465"	104.686318	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+3Na"	68.967654
"1657462"	314.085988	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Na+HCOOH"	68.994688
"165419"	567.10164	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+2K-H"	76.91904
"606072"	812.19294	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+2K-H"	76.91904
"1091677"	322.01034	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2K-H"	76.91904
"150315"	284.054458	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"2M+2K"	77.926316
"588051"	406.600108	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"3M+2K"	77.926316
"1069407"	161.508808	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2K"	77.926316
"1104682"	324.024892	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2K+H"	78.933592
"1337909"	324.112507	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+DMSO+H"	79.021207
"1014705"	328.151676	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2ACN+H"	83.060376
"1535018"	329.145308	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+IsoProp+Na+H"	84.054008
"1000372"	164.579476	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+2ACN+2H"	84.067652
"1591959"	330.059928	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+K+HCOOH"	84.968628
"1415796"	360.091438	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+H+CF3COOH"	115.000138
"1152281"	185.092751	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+3ACN+2H"	125.094202
"1700743"	377.117985	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+NH4+CF3COOH"	132.026685
"1634565"	382.07338	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+Na+CF3COOH"	136.98208
"1577518"	398.04732	"C19897"	"Debromohymenialdisine;(Z)-Debromohymenialdisine;DBH"	"C11H11N5O2"	"245.0913"	"M+K+CF3COOH"	152.95602
"807882"	548.3515	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M"	0
"980319"	529.33311	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-H2O-H"	-19.01839
"70753"	364.560390666667	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M-3H"	-3.021828
"511408"	547.344224	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M-3H"	-3.021828
"882651"	181.776557333333	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-3H"	-3.021828
"4505"	547.344224	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M-2H"	-2.014552
"442244"	821.519974	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M-2H"	-2.014552
"821868"	273.168474	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-2H"	-2.014552
"87326"	1095.695724	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M-H"	-1.007276
"524699"	1644.047224	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M-H"	-1.007276
"904686"	547.344224	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-H"	-1.007276
"52498"	1112.722271	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M-2H+NH4"	16.019271
"493153"	1661.073771	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M-2H+NH4"	16.019271
"870955"	564.370771	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-2H+NH4"	16.019271
"37762"	1117.677666	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M-2H+Na"	20.974666
"475135"	1666.029166	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M-2H+Na"	20.974666
"850750"	569.326166	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-2H+Na"	20.974666
"1622471"	569.326166	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Na-2H"	20.974666
"100092"	565.332563	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M-H+Cl"	33.962126
"548657"	839.508313	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M-H+Cl"	33.962126
"933179"	291.156813	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-H+Cl"	33.962126
"277203"	1131.672402	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+Cl"	34.969402
"665252"	1680.023902	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+Cl"	34.969402
"1279842"	583.320902	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Cl"	34.969402
"25680"	1133.651606	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M-2H+K"	36.948606
"465241"	1682.003106	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M-2H+K"	36.948606
"839763"	585.300106	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-2H+K"	36.948606
"1566533"	585.300106	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+K-2H"	36.948606
"954415"	593.349694	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-H+HCOOH"	44.998194
"371538"	1141.701201	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+HCOOH-H"	44.998201
"355420"	1155.716851	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+Hac-H"	59.013851
"1499880"	607.365351	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Hac-H"	59.013851
"967420"	615.331651	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-H+NaCOOH"	66.980151
"118515"	583.320902	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+2Cl"	69.938804
"561357"	857.496652	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+2Cl"	69.938804
"1034531"	309.145152	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2Cl"	69.938804
"1254112"	627.270385	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Br"	78.918885
"1311092"	629.326372	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Cl+HCOOH"	80.974872
"1330778"	651.308329	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Cl+NaCOOH"	102.956829
"922931"	661.337086	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M-H+CF3COOH"	112.985586
"1294172"	697.313764	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Cl+CF3COOH"	148.962264
"1371239"	513.338824	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H-2H2O"	-35.012676
"1388736"	531.3488	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H-H2O"	-17.0027
"289515"	1097.710276	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+H"	1.007276
"686310"	1646.061776	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+H"	1.007276
"1359379"	549.358776	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H"	1.007276
"128988"	549.358776	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+2H"	2.014552
"569643"	823.534526	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+2H"	2.014552
"1039536"	275.183026	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2H"	2.014552
"205615"	366.574942666667	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+3H"	3.021828
"645540"	549.358776	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+3H"	3.021828
"1167313"	183.791109333333	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+3H"	3.021828
"430586"	1114.736823	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+NH4"	18.033823
"788664"	1663.088323	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+NH4"	18.033823
"1683535"	566.385323	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+NH4"	18.033823
"334001"	557.8720495	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+H+NH4"	19.041099
"727518"	832.0477995	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+H+NH4"	19.041099
"1480608"	283.6962995	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H+NH4"	19.041099
"396739"	1119.692218	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+Na"	22.989218
"755549"	1668.043718	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+Na"	22.989218
"1604742"	571.340718	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Na"	22.989218
"323161"	560.349747	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+H+Na"	23.996494
"713756"	834.525497	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+H+Na"	23.996494
"1464295"	286.173997	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H+Na"	23.996494
"1055355"	191.118423333333	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2H+Na"	25.00377
"1263596"	581.384986	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+CH3OH+H"	33.033486
"378161"	1135.666158	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+K"	38.963158
"740980"	1684.017658	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+K"	38.963158
"1541937"	587.314658	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+K"	38.963158
"301302"	568.336717	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+H+K"	39.970434
"692145"	842.512467	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+H+K"	39.970434
"1447913"	294.160967	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H+K"	39.970434
"238338"	1138.736826	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+ACN+H"	42.033826
"1219796"	590.385326	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+ACN+H"	42.033826
"1206962"	295.696301	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+ACN+2H"	43.041102
"199832"	1141.67416	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+2Na-H"	44.97116
"637207"	1690.02566	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+2Na-H"	44.97116
"1135609"	593.32266	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2Na-H"	44.97116
"178537"	571.340718	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+2Na"	45.978436
"616272"	845.516468	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+2Na"	45.978436
"1124881"	297.164968	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2Na"	45.978436
"1401475"	198.445737333333	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H+2Na"	46.985712
"1432137"	595.364246	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H+HCOOH"	47.012746
"230217"	576.37374	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+3H2O+2H"	56.04448
"1515000"	609.41629	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+IsoProp+H"	61.06479
"417968"	579.327688	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+Na+K"	61.952376
"772401"	853.503438	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+Na+K"	61.952376
"1666905"	305.151938	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Na+K"	61.952376
"254524"	1160.718768	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+ACN+Na"	64.015768
"1230154"	612.367268	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+ACN+Na"	64.015768
"1716490"	612.390793	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+NH4+HCOOH"	64.039293
"1182575"	205.773051333333	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+3Na"	68.967654
"1656476"	617.346188	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Na+HCOOH"	68.994688
"161516"	1173.62204	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+2K-H"	76.91904
"601076"	1721.97354	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+2K-H"	76.91904
"1090692"	625.27054	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2K-H"	76.91904
"151516"	587.314658	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"2M+2K"	77.926316
"587068"	861.490408	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"3M+2K"	77.926316
"1069517"	313.138908	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2K"	77.926316
"1104792"	627.285092	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2K+H"	78.933592
"1338991"	627.372707	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+DMSO+H"	79.021207
"1014451"	631.411876	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2ACN+H"	83.060376
"1533306"	632.405508	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+IsoProp+Na+H"	84.054008
"999753"	316.209576	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+2ACN+2H"	84.067652
"1593162"	633.320128	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+K+HCOOH"	84.968628
"1415421"	663.351638	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+H+CF3COOH"	115.000138
"1148382"	336.722851	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+3ACN+2H"	125.094202
"1697570"	680.378185	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+NH4+CF3COOH"	132.026685
"1634310"	685.33358	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+Na+CF3COOH"	136.98208
"1577628"	701.30752	"C19898"	"Manzamine A;Keramamine A"	"C36H44N4O"	"548.3515"	"M+K+CF3COOH"	152.95602
"807992"	836.5048	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M"	0
"977150"	817.48641	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-H2O-H"	-19.01839
"70863"	556.662590666667	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M-3H"	-3.021828
"508238"	835.497524	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M-3H"	-3.021828
"882759"	277.827657333333	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-3H"	-3.021828
"7895"	835.497524	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M-2H"	-2.014552
"445269"	1253.749924	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M-2H"	-2.014552
"821977"	417.245124	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-2H"	-2.014552
"85249"	1672.002324	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M-H"	-1.007276
"524809"	2508.507124	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M-H"	-1.007276
"902609"	835.497524	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-H"	-1.007276
"50422"	1689.028871	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M-2H+NH4"	16.019271
"492170"	2525.533671	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M-2H+NH4"	16.019271
"869972"	852.524071	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-2H+NH4"	16.019271
"37872"	1693.984266	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M-2H+Na"	20.974666
"473058"	2530.489066	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M-2H+Na"	20.974666
"849767"	857.479466	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-2H+Na"	20.974666
"1621488"	857.479466	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Na-2H"	20.974666
"96922"	853.485863	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M-H+Cl"	33.962126
"545243"	1271.738263	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M-H+Cl"	33.962126
"933289"	435.233463	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-H+Cl"	33.962126
"274030"	1707.979002	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+Cl"	34.969402
"663172"	2544.483802	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+Cl"	34.969402
"1275578"	871.474202	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Cl"	34.969402
"22508"	1709.958206	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M-2H+K"	36.948606
"463162"	2546.463006	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M-2H+K"	36.948606
"840965"	873.453406	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-2H+K"	36.948606
"1562267"	873.453406	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+K-2H"	36.948606
"947961"	881.502994	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-H+HCOOH"	44.998194
"370553"	1718.007801	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+HCOOH-H"	44.998201
"353344"	1732.023451	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+Hac-H"	59.013851
"1497802"	895.518651	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Hac-H"	59.013851
"964250"	903.484951	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-H+NaCOOH"	66.980151
"116438"	871.474202	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+2Cl"	69.938804
"560374"	1289.726602	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+2Cl"	69.938804
"1032453"	453.221802	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2Cl"	69.938804
"1252036"	915.423685	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Br"	78.918885
"1315575"	917.479672	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Cl+HCOOH"	80.974872
"1324326"	939.461629	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Cl+NaCOOH"	102.956829
"924742"	949.490386	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M-H+CF3COOH"	112.985586
"1295375"	985.467064	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Cl+CF3COOH"	148.962264
"1371348"	801.492124	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H-2H2O"	-35.012676
"1385566"	819.5021	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H-H2O"	-17.0027
"286345"	1674.016876	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+H"	1.007276
"686420"	2510.521676	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+H"	1.007276
"1359489"	837.512076	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H"	1.007276
"129098"	837.512076	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+2H"	2.014552
"569753"	1255.764476	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+2H"	2.014552
"1042927"	419.259676	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2H"	2.014552
"206089"	558.677142666667	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+3H"	3.021828
"646378"	837.512076	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+3H"	3.021828
"1166330"	279.842209333333	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+3H"	3.021828
"425592"	1691.043423	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+NH4"	18.033823
"786828"	2527.548223	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+NH4"	18.033823
"1688021"	854.538623	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+NH4"	18.033823
"338486"	846.0253495	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+H+NH4"	19.041099
"727626"	1264.2777495	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+H+NH4"	19.041099
"1480353"	427.7729495	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H+NH4"	19.041099
"394661"	1695.998818	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+Na"	22.989218
"756752"	2532.503618	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+Na"	22.989218
"1605945"	859.494018	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Na"	22.989218
"321447"	848.503047	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+H+Na"	23.996494
"712772"	1266.755447	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+H+Na"	23.996494
"1463313"	430.250647	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H+Na"	23.996494
"1055464"	287.169523333333	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2H+Na"	25.00377
"1258239"	869.538286	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+CH3OH+H"	33.033486
"377738"	1711.972758	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+K"	38.963158
"741090"	2548.477558	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+K"	38.963158
"1540344"	875.467958	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+K"	38.963158
"299347"	856.490017	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+H+K"	39.970434
"691524"	1274.742417	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+H+K"	39.970434
"1448385"	438.237617	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H+K"	39.970434
"239543"	1715.043426	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+ACN+H"	42.033826
"1218813"	878.538626	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+ACN+H"	42.033826
"1204884"	439.772951	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+ACN+2H"	43.041102
"201765"	1717.98076	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+2Na-H"	44.97116
"639503"	2554.48556	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+2Na-H"	44.97116
"1138635"	881.47596	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2Na-H"	44.97116
"178647"	859.494018	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+2Na"	45.978436
"618206"	1277.746418	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+2Na"	45.978436
"1124991"	441.241618	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2Na"	45.978436
"1400856"	294.496837333333	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H+2Na"	46.985712
"1432247"	883.517546	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H+HCOOH"	47.012746
"230327"	864.52704	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+3H2O+2H"	56.04448
"1512923"	897.56959	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+IsoProp+H"	61.06479
"419171"	867.480988	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+Na+K"	61.952376
"772509"	1285.733388	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+Na+K"	61.952376
"1667744"	449.228588	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Na+K"	61.952376
"254635"	1737.025368	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+ACN+Na"	64.015768
"1231357"	900.520568	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+ACN+Na"	64.015768
"1718057"	900.544093	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+NH4+HCOOH"	64.039293
"1182683"	301.824151333333	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+3Na"	68.967654
"1654399"	905.499488	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Na+HCOOH"	68.994688
"164542"	1749.92864	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+2K-H"	76.91904
"600822"	2586.43344	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+2K-H"	76.91904
"1089709"	913.42384	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2K-H"	76.91904
"151990"	875.467958	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"2M+2K"	77.926316
"589364"	1293.720358	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"3M+2K"	77.926316
"1069869"	457.215558	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2K"	77.926316
"1104902"	915.438392	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2K+H"	78.933592
"1339102"	915.526007	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+DMSO+H"	79.021207
"1014925"	919.565176	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2ACN+H"	83.060376
"1534509"	920.558808	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+IsoProp+Na+H"	84.054008
"1000592"	460.286226	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+2ACN+2H"	84.067652
"1596552"	921.473428	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+K+HCOOH"	84.968628
"1417112"	951.504938	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+H+CF3COOH"	115.000138
"1149221"	480.799501	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+3ACN+2H"	125.094202
"1697312"	968.531485	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+NH4+CF3COOH"	132.026685
"1634906"	973.48688	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+Na+CF3COOH"	136.98208
"1577738"	989.46082	"C19899"	"Dolastatin 15;NSC 617668"	"C45H68N6O9"	"836.5048"	"M+K+CF3COOH"	152.95602
"808102"	428.2927	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M"	0
"978353"	409.27431	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-H2O-H"	-19.01839
"69880"	284.521190666667	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M-3H"	-3.021828
"508348"	427.285424	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M-3H"	-3.021828
"882140"	141.756957333333	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-3H"	-3.021828
"6912"	427.285424	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M-2H"	-2.014552
"444650"	641.431774	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M-2H"	-2.014552
"820994"	213.139074	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-2H"	-2.014552
"82079"	855.578124	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M-H"	-1.007276
"522732"	1283.870824	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M-H"	-1.007276
"901626"	427.285424	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-H"	-1.007276
"51627"	872.604671	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M-2H+NH4"	16.019271
"495563"	1300.897371	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M-2H+NH4"	16.019271
"868991"	444.311971	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-2H+NH4"	16.019271
"36889"	877.560066	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M-2H+Na"	20.974666
"476449"	1305.852766	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M-2H+Na"	20.974666
"853523"	449.267366	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-2H+Na"	20.974666
"1623056"	449.267366	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Na-2H"	20.974666
"100314"	445.273763	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M-H+Cl"	33.962126
"543165"	659.420113	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M-H+Cl"	33.962126
"933399"	231.127413	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-H+Cl"	33.962126
"274140"	891.554802	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+Cl"	34.969402
"664376"	1319.847502	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+Cl"	34.969402
"1275688"	463.262102	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Cl"	34.969402
"22618"	893.534006	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M-2H+K"	36.948606
"463272"	1321.826706	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M-2H+K"	36.948606
"843263"	465.241306	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-2H+K"	36.948606
"1566751"	465.241306	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+K-2H"	36.948606
"950258"	473.290894	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-H+HCOOH"	44.998194
"370665"	901.583601	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+HCOOH-H"	44.998201
"354549"	915.599251	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+Hac-H"	59.013851
"1501193"	487.306551	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Hac-H"	59.013851
"964360"	495.272851	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-H+NaCOOH"	66.980151
"120560"	463.262102	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+2Cl"	69.938804
"562673"	677.408452	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+2Cl"	69.938804
"1033657"	249.115752	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2Cl"	69.938804
"1253239"	507.211585	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Br"	78.918885
"1311311"	509.267572	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Cl+HCOOH"	80.974872
"1325529"	531.249529	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Cl+NaCOOH"	102.956829
"919870"	541.278286	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M-H+CF3COOH"	112.985586
"1290379"	577.254964	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Cl+CF3COOH"	148.962264
"1369999"	393.280024	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H-2H2O"	-35.012676
"1383851"	411.29	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H-H2O"	-17.0027
"285361"	857.592676	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+H"	1.007276
"677175"	1285.885376	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+H"	1.007276
"1353767"	429.299976	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H"	1.007276
"128112"	429.299976	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+2H"	2.014552
"568039"	643.446326	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+2H"	2.014552
"1040119"	215.153626	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2H"	2.014552
"205830"	286.535742666667	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+3H"	3.021828
"645760"	429.299976	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+3H"	3.021828
"1166073"	143.771509333333	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+3H"	3.021828
"428620"	874.619223	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+NH4"	18.033823
"786330"	1302.911923	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+NH4"	18.033823
"1682298"	446.326523	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+NH4"	18.033823
"330328"	437.8132495	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+H+NH4"	19.041099
"724452"	651.9595995	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+H+NH4"	19.041099
"1478640"	223.6668995	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H+NH4"	19.041099
"395866"	879.574618	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+Na"	22.989218
"757956"	1307.867318	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+Na"	22.989218
"1607147"	451.281918	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Na"	22.989218
"315240"	440.290947	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+H+Na"	23.996494
"709603"	654.437297	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+H+Na"	23.996494
"1463787"	226.144597	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H+Na"	23.996494
"1054844"	151.098823333333	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2H+Na"	25.00377
"1258348"	461.326186	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+CH3OH+H"	33.033486
"377647"	895.548558	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+K"	38.963158
"741200"	1323.841258	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+K"	38.963158
"1540454"	467.255858	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+K"	38.963158
"299335"	448.277917	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+H+K"	39.970434
"697228"	662.424267	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+H+K"	39.970434
"1448862"	234.131567	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H+K"	39.970434
"241840"	898.619226	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+ACN+H"	42.033826
"1218923"	470.326526	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+ACN+H"	42.033826
"1206817"	235.666901	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+ACN+2H"	43.041102
"197865"	901.55656	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+2Na-H"	44.97116
"636332"	1329.84926	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+2Na-H"	44.97116
"1138747"	473.26386	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2Na-H"	44.97116
"176934"	451.281918	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+2Na"	45.978436
"621598"	665.428268	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+2Na"	45.978436
"1121823"	237.135568	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2Na"	45.978436
"1402065"	158.426137333333	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H+2Na"	46.985712
"1433084"	475.305446	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H+HCOOH"	47.012746
"224971"	456.31494	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+3H2O+2H"	56.04448
"1515220"	489.35749	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+IsoProp+H"	61.06479
"416001"	459.268888	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+Na+K"	61.952376
"770797"	673.415238	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+Na+K"	61.952376
"1666764"	245.122538	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Na+K"	61.952376
"252069"	920.601168	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+ACN+Na"	64.015768
"1231467"	492.308468	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+ACN+Na"	64.015768
"1718167"	492.331993	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+NH4+HCOOH"	64.039293
"1182426"	165.753451333333	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+3Na"	68.967654
"1654509"	497.287388	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Na+HCOOH"	68.994688
"161372"	933.50444	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+2K-H"	76.91904
"602027"	1361.79714	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+2K-H"	76.91904
"1086903"	505.21174	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2K-H"	76.91904
"148822"	467.255858	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"2M+2K"	77.926316
"592753"	681.402208	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"3M+2K"	77.926316
"1073985"	253.109508	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2K"	77.926316
"1101971"	507.226292	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2K+H"	78.933592
"1340299"	507.313907	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+DMSO+H"	79.021207
"1015399"	511.353076	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2ACN+H"	83.060376
"1535713"	512.346708	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+IsoProp+Na+H"	84.054008
"1002526"	256.180176	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+2ACN+2H"	84.067652
"1598849"	513.261328	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+K+HCOOH"	84.968628
"1417951"	543.292838	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+H+CF3COOH"	115.000138
"1153703"	276.693451	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+3ACN+2H"	125.094202
"1698154"	560.319385	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+NH4+CF3COOH"	132.026685
"1638904"	565.27478	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+Na+CF3COOH"	136.98208
"1577848"	581.24872	"C19900"	"12-epi-Scalaradial"	"C27H40O4"	"428.2927"	"M+K+CF3COOH"	152.95602
"813680"	386.2821	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M"	0
"978465"	367.26371	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-H2O-H"	-19.01839
"64523"	256.514124	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M-3H"	-3.021828
"511739"	385.274824	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M-3H"	-3.021828
"886261"	127.753424	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-3H"	-3.021828
"4836"	385.274824	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M-2H"	-2.014552
"442208"	578.415874	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M-2H"	-2.014552
"821104"	192.133774	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-2H"	-2.014552
"84376"	771.556924	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M-H"	-1.007276
"528309"	1157.839024	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M-H"	-1.007276
"900643"	385.274824	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-H"	-1.007276
"52831"	788.583471	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M-2H+NH4"	16.019271
"493486"	1174.865571	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M-2H+NH4"	16.019271
"871289"	402.301371	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-2H+NH4"	16.019271
"38095"	793.538866	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M-2H+Na"	20.974666
"477655"	1179.820966	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M-2H+Na"	20.974666
"857645"	407.256766	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-2H+Na"	20.974666
"1626083"	407.256766	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Na-2H"	20.974666
"102612"	403.263163	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M-H+Cl"	33.962126
"545463"	596.404213	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M-H+Cl"	33.962126
"932416"	210.122113	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-H+Cl"	33.962126
"272067"	807.533602	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+Cl"	34.969402
"661326"	1193.815702	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+Cl"	34.969402
"1275799"	421.251502	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Cl"	34.969402
"19449"	809.512806	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M-2H+K"	36.948606
"467758"	1195.794906	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M-2H+K"	36.948606
"843373"	423.230706	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-2H+K"	36.948606
"1568687"	423.230706	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+K-2H"	36.948606
"952560"	431.280294	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-H+HCOOH"	44.998194
"363483"	817.562401	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+HCOOH-H"	44.998201
"349189"	831.578051	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+Hac-H"	59.013851
"1499118"	445.295951	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Hac-H"	59.013851
"970668"	453.262251	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-H+NaCOOH"	66.980151
"113378"	421.251502	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+2Cl"	69.938804
"562782"	614.392552	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+2Cl"	69.938804
"1035956"	228.110452	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2Cl"	69.938804
"1253349"	465.200985	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Br"	78.918885
"1313609"	467.256972	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Cl+HCOOH"	80.974872
"1326732"	489.238929	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Cl+NaCOOH"	102.956829
"923261"	499.267686	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M-H+CF3COOH"	112.985586
"1294502"	535.244364	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Cl+CF3COOH"	148.962264
"1369386"	351.269424	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H-2H2O"	-35.012676
"1385786"	369.2794	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H-H2O"	-17.0027
"283769"	773.571476	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+H"	1.007276
"677892"	1159.853576	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+H"	1.007276
"1355336"	387.289376	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H"	1.007276
"129318"	387.289376	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+2H"	2.014552
"567421"	580.430426	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+2H"	2.014552
"1040594"	194.148326	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2H"	2.014552
"205941"	258.528676	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+3H"	3.021828
"645868"	387.289376	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+3H"	3.021828
"1166547"	129.767976	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+3H"	3.021828
"432013"	790.598023	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+NH4"	18.033823
"788994"	1176.880123	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+NH4"	18.033823
"1681679"	404.315923	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+NH4"	18.033823
"332144"	395.8026495	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+H+NH4"	19.041099
"727119"	588.9436995	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+H+NH4"	19.041099
"1482763"	202.6615995	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H+NH4"	19.041099
"395976"	795.553418	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+Na"	22.989218
"762439"	1181.835518	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+Na"	22.989218
"1609444"	409.271318	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Na"	22.989218
"319480"	398.280347	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+H+Na"	23.996494
"709713"	591.421397	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+H+Na"	23.996494
"1463534"	205.139297	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H+Na"	23.996494
"1056778"	137.09529	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2H+Na"	25.00377
"1257364"	419.315586	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+CH3OH+H"	33.033486
"377270"	811.527358	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+K"	38.963158
"739121"	1197.809458	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+K"	38.963158
"1543730"	425.245258	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+K"	38.963158
"302731"	406.267317	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+H+K"	39.970434
"696247"	599.408367	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+H+K"	39.970434
"1455536"	213.126267	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H+K"	39.970434
"247419"	814.598026	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+ACN+H"	42.033826
"1222316"	428.315926	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+ACN+H"	42.033826
"1207294"	214.661601	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+ACN+2H"	43.041102
"202476"	817.53536	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+2Na-H"	44.97116
"642639"	1203.81746	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+2Na-H"	44.97116
"1145296"	431.25326	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2Na-H"	44.97116
"186399"	409.271318	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+2Na"	45.978436
"624987"	602.412368	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+2Na"	45.978436
"1125213"	216.130268	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2Na"	45.978436
"1410558"	144.422604	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H+2Na"	46.985712
"1434291"	433.294846	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H+HCOOH"	47.012746
"225081"	414.30434	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+3H2O+2H"	56.04448
"1514237"	447.34689	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+IsoProp+H"	61.06479
"415018"	417.258288	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+Na+K"	61.952376
"771272"	610.399338	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+Na+K"	61.952376
"1668332"	224.117238	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Na+K"	61.952376
"251936"	836.579968	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+ACN+Na"	64.015768
"1230486"	450.297868	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+ACN+Na"	64.015768
"1716090"	450.321393	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+NH4+HCOOH"	64.039293
"1181446"	151.749918	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+3Na"	68.967654
"1652797"	455.276788	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Na+HCOOH"	68.994688
"160387"	849.48324	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+2K-H"	76.91904
"599950"	1235.76534	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+2K-H"	76.91904
"1087013"	463.20114	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2K-H"	76.91904
"143464"	425.245258	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"2M+2K"	77.926316
"589583"	618.386308	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"3M+2K"	77.926316
"1074096"	232.104208	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2K"	77.926316
"1106214"	465.215692	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2K+H"	78.933592
"1339319"	465.303307	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+DMSO+H"	79.021207
"1008941"	469.342476	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2ACN+H"	83.060376
"1529256"	470.336108	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+IsoProp+Na+H"	84.054008
"990598"	235.174876	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+2ACN+2H"	84.067652
"1593496"	471.250728	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+K+HCOOH"	84.968628
"1416968"	501.282238	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+H+CF3COOH"	115.000138
"1150535"	255.688151	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+3ACN+2H"	125.094202
"1698628"	518.308785	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+NH4+CF3COOH"	132.026685
"1635371"	523.26418	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+Na+CF3COOH"	136.98208
"1577958"	539.23812	"C19901"	"Luffariellolide"	"C25H38O3"	"386.2821"	"M+K+CF3COOH"	152.95602
"808322"	508.34	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M"	0
"979668"	489.32161	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-H2O-H"	-19.01839
"65726"	337.886057333333	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M-3H"	-3.021828
"511848"	507.332724	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M-3H"	-3.021828
"887466"	168.439390666667	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-3H"	-3.021828
"3853"	507.332724	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M-2H"	-2.014552
"443414"	761.502724	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M-2H"	-2.014552
"824494"	253.162724	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-2H"	-2.014552
"89952"	1015.672724	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M-H"	-1.007276
"529512"	1524.012724	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M-H"	-1.007276
"902939"	507.332724	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-H"	-1.007276
"56220"	1032.699271	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M-2H+NH4"	16.019271
"495783"	1541.039271	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M-2H+NH4"	16.019271
"876867"	524.359271	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-2H+NH4"	16.019271
"40391"	1037.654666	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M-2H+Na"	20.974666
"483233"	1545.994666	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M-2H+Na"	20.974666
"856662"	529.314666	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-2H+Na"	20.974666
"1626193"	529.314666	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Na-2H"	20.974666
"101629"	525.321063	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M-H+Cl"	33.962126
"545573"	779.491063	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M-H+Cl"	33.962126
"934715"	271.151063	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-H+Cl"	33.962126
"268651"	1051.649402	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+Cl"	34.969402
"661316"	1559.989402	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+Cl"	34.969402
"1275909"	543.309402	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Cl"	34.969402
"26120"	1053.628606	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M-2H+K"	36.948606
"468963"	1561.968606	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M-2H+K"	36.948606
"845673"	545.288606	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-2H+K"	36.948606
"1569160"	545.288606	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+K-2H"	36.948606
"957044"	553.338194	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-H+HCOOH"	44.998194
"370885"	1061.678201	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+HCOOH-H"	44.998201
"355862"	1075.693851	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+Hac-H"	59.013851
"1505061"	567.353851	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Hac-H"	59.013851
"971507"	575.320151	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-H+NaCOOH"	66.980151
"118956"	543.309402	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+2Cl"	69.938804
"563985"	797.479402	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+2Cl"	69.938804
"1036674"	289.139402	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2Cl"	69.938804
"1253454"	587.258885	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Br"	78.918885
"1313719"	589.314872	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Cl+HCOOH"	80.974872
"1326842"	611.296829	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Cl+NaCOOH"	102.956829
"923371"	621.325586	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M-H+CF3COOH"	112.985586
"1293519"	657.302264	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Cl+CF3COOH"	148.962264
"1369494"	473.327324	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H-2H2O"	-35.012676
"1388086"	491.3373	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H-H2O"	-17.0027
"283394"	1017.687276	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+H"	1.007276
"680192"	1526.027276	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+H"	1.007276
"1362008"	509.347276	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H"	1.007276
"134897"	509.347276	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+2H"	2.014552
"567895"	763.517276	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+2H"	2.014552
"1039609"	255.177276	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2H"	2.014552
"206051"	339.900609333333	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+3H"	3.021828
"646343"	509.347276	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+3H"	3.021828
"1169943"	170.453942666667	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+3H"	3.021828
"425920"	1034.713823	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+NH4"	18.033823
"788375"	1543.053823	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+NH4"	18.033823
"1683246"	526.373823	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+NH4"	18.033823
"335538"	517.8605495	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+H+NH4"	19.041099
"726866"	772.0305495	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+H+NH4"	19.041099
"1482874"	263.6905495	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H+NH4"	19.041099
"396086"	1039.669218	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+Na"	22.989218
"760363"	1548.009218	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+Na"	22.989218
"1604088"	531.329218	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Na"	22.989218
"320685"	520.338247	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+H+Na"	23.996494
"708730"	774.508247	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+H+Na"	23.996494
"1463642"	266.168247	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H+Na"	23.996494
"1055796"	177.781256666667	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2H+Na"	25.00377
"1257082"	541.373486	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+CH3OH+H"	33.033486
"378600"	1055.643158	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+K"	38.963158
"738790"	1563.983158	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+K"	38.963158
"1543476"	547.303158	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+K"	38.963158
"303935"	528.325217	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+H+K"	39.970434
"698546"	782.495217	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+H+K"	39.970434
"1452367"	274.155217	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H+K"	39.970434
"249839"	1058.713826	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+ACN+H"	42.033826
"1222425"	550.373826	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+ACN+H"	42.033826
"1206309"	275.690551	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+ACN+2H"	43.041102
"203923"	1061.65116	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+2Na-H"	44.97116
"642872"	1569.99116	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+2Na-H"	44.97116
"1144436"	553.31116	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2Na-H"	44.97116
"184443"	531.329218	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+2Na"	45.978436
"625097"	785.499218	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+2Na"	45.978436
"1128482"	277.159218	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2Na"	45.978436
"1408845"	185.108570666667	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H+2Na"	46.985712
"1433672"	555.352746	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H+HCOOH"	47.012746
"224096"	536.36224	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+3H2O+2H"	56.04448
"1513617"	569.40479	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+IsoProp+H"	61.06479
"415128"	539.316188	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+Na+K"	61.952376
"771017"	793.486188	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+Na+K"	61.952376
"1669536"	285.146188	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Na+K"	61.952376
"251924"	1080.695768	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+ACN+Na"	64.015768
"1230229"	572.355768	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+ACN+Na"	64.015768
"1715834"	572.379293	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+NH4+HCOOH"	64.039293
"1181554"	192.435884666667	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+3Na"	68.967654
"1652541"	577.334688	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Na+HCOOH"	68.994688
"160132"	1093.59904	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+2K-H"	76.91904
"601154"	1601.93904	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+2K-H"	76.91904
"1086759"	585.25904	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2K-H"	76.91904
"142237"	547.303158	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"2M+2K"	77.926316
"583496"	801.473158	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"3M+2K"	77.926316
"1069344"	293.133158	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2K"	77.926316
"1103044"	587.273592	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2K+H"	78.933592
"1337242"	587.361207	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+DMSO+H"	79.021207
"1007230"	591.400376	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2ACN+H"	83.060376
"1529366"	592.394008	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+IsoProp+Na+H"	84.054008
"996909"	296.203826	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+2ACN+2H"	84.067652
"1595793"	593.308628	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+K+HCOOH"	84.968628
"1417078"	623.340138	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+H+CF3COOH"	115.000138
"1152834"	316.717101	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+3ACN+2H"	125.094202
"1700196"	640.366685	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+NH4+CF3COOH"	132.026685
"1636939"	645.32208	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+Na+CF3COOH"	136.98208
"1578068"	661.29602	"C19902"	"Contignasterol"	"C29H48O7"	"508.34"	"M+K+CF3COOH"	152.95602
"811715"	696.4237	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M"	0
"981966"	677.40531	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-H2O-H"	-19.01839
"75679"	463.275190666667	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M-3H"	-3.021828
"516334"	695.416424	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M-3H"	-3.021828
"888671"	231.133957333333	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-3H"	-3.021828
"10523"	695.416424	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M-2H"	-2.014552
"451177"	1043.628274	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M-2H"	-2.014552
"822416"	347.204574	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-2H"	-2.014552
"84595"	1391.840124	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M-H"	-1.007276
"528530"	2088.263824	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M-H"	-1.007276
"906331"	695.416424	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-H"	-1.007276
"58519"	1408.866671	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M-2H+NH4"	16.019271
"500269"	2105.290371	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M-2H+NH4"	16.019271
"875885"	712.442971	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-2H+NH4"	16.019271
"39409"	1413.822066	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M-2H+Na"	20.974666
"483347"	2110.245766	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M-2H+Na"	20.974666
"860053"	717.398366	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-2H+Na"	20.974666
"1628493"	717.398366	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Na-2H"	20.974666
"100649"	713.404763	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M-H+Cl"	33.962126
"547265"	1061.616613	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M-H+Cl"	33.962126
"937012"	365.192913	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-H+Cl"	33.962126
"270095"	1427.816802	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+Cl"	34.969402
"664704"	2124.240502	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+Cl"	34.969402
"1279299"	731.393102	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Cl"	34.969402
"16631"	1429.796006	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M-2H+K"	36.948606
"460323"	2126.219706	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M-2H+K"	36.948606
"840313"	733.372306	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-2H+K"	36.948606
"1563801"	733.372306	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+K-2H"	36.948606
"957641"	741.421894	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-H+HCOOH"	44.998194
"375004"	1437.845601	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+HCOOH-H"	44.998201
"359253"	1451.861251	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+Hac-H"	59.013851
"1503713"	755.437551	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Hac-H"	59.013851
"969797"	763.403851	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-H+NaCOOH"	66.980151
"124169"	731.393102	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+2Cl"	69.938804
"559720"	1079.604952	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+2Cl"	69.938804
"1036300"	383.181252	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2Cl"	69.938804
"1254661"	775.342585	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Br"	78.918885
"1311645"	777.398572	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Cl+HCOOH"	80.974872
"1330236"	799.380529	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Cl+NaCOOH"	102.956829
"923481"	809.409286	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M-H+CF3COOH"	112.985586
"1290716"	845.385964	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Cl+CF3COOH"	148.962264
"1372885"	661.411024	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H-2H2O"	-35.012676
"1384910"	679.421	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H-H2O"	-17.0027
"285694"	1393.854676	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+H"	1.007276
"676658"	2090.278376	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+H"	1.007276
"1352073"	697.430976	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H"	1.007276
"128812"	697.430976	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+2H"	2.014552
"569467"	1045.642826	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+2H"	2.014552
"1039356"	349.219126	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2H"	2.014552
"207255"	465.289742666667	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+3H"	3.021828
"647185"	697.430976	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+3H"	3.021828
"1174426"	233.148509333333	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+3H"	3.021828
"430048"	1410.881223	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+NH4"	18.033823
"793225"	2107.304923	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+NH4"	18.033823
"1684817"	714.457523	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+NH4"	18.033823
"336742"	705.9442495	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+H+NH4"	19.041099
"724786"	1054.1560995	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+H+NH4"	19.041099
"1482984"	357.7323995	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H+NH4"	19.041099
"400570"	1415.836618	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+Na"	22.989218
"759381"	2112.260318	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+Na"	22.989218
"1607479"	719.412918	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Na"	22.989218
"317516"	708.421947	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+H+Na"	23.996494
"708233"	1056.633797	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+H+Na"	23.996494
"1462298"	360.210097	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H+Na"	23.996494
"1054571"	240.475823333333	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2H+Na"	25.00377
"1258682"	729.457186	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+CH3OH+H"	33.033486
"378352"	1431.810558	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+K"	38.963158
"740441"	2128.234258	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+K"	38.963158
"1545776"	735.386858	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+K"	38.963158
"306234"	716.408917	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+H+K"	39.970434
"699751"	1064.620767	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+H+K"	39.970434
"1457582"	368.197067	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H+K"	39.970434
"243270"	1434.881226	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+ACN+H"	42.033826
"1221445"	738.457526	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+ACN+H"	42.033826
"1205327"	369.732401	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+ACN+2H"	43.041102
"202208"	1437.81856	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+2Na-H"	44.97116
"636668"	2134.24226	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+2Na-H"	44.97116
"1139079"	741.39486	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2Na-H"	44.97116
"179088"	719.412918	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+2Na"	45.978436
"626302"	1067.624768	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+2Na"	45.978436
"1126528"	371.201068	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2Na"	45.978436
"1412237"	247.803137333333	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H+2Na"	46.985712
"1434876"	743.436446	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H+HCOOH"	47.012746
"231500"	724.44594	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+3H2O+2H"	56.04448
"1517739"	757.48849	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+IsoProp+H"	61.06479
"416332"	727.399888	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+Na+K"	61.952376
"775504"	1075.611738	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+Na+K"	61.952376
"1671106"	379.188038	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Na+K"	61.952376
"257993"	1456.863168	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+ACN+Na"	64.015768
"1230342"	760.439468	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+ACN+Na"	64.015768
"1717404"	760.462993	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+NH4+HCOOH"	64.039293
"1182396"	255.130451333333	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+3Na"	68.967654
"1658123"	765.418388	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Na+HCOOH"	68.994688
"162798"	1469.76644	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+2K-H"	76.91904
"605638"	2166.19014	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+2K-H"	76.91904
"1092337"	773.34274	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2K-H"	76.91904
"143686"	735.386858	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"2M+2K"	77.926316
"583364"	1083.598708	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"3M+2K"	77.926316
"1069216"	387.175008	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2K"	77.926316
"1104249"	775.357292	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2K+H"	78.933592
"1342821"	775.444907	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+DMSO+H"	79.021207
"1016453"	779.484076	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2ACN+H"	83.060376
"1527290"	780.477708	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+IsoProp+Na+H"	84.054008
"999209"	390.245676	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+2ACN+2H"	84.067652
"1598082"	781.392328	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+K+HCOOH"	84.968628
"1417188"	811.423838	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+H+CF3COOH"	115.000138
"1149664"	410.758951	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+3ACN+2H"	125.094202
"1697755"	828.450385	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+NH4+CF3COOH"	132.026685
"1636684"	833.40578	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+Na+CF3COOH"	136.98208
"1578178"	849.37972	"C19903"	"Lasonolide A"	"C41H60O9"	"696.4237"	"M+K+CF3COOH"	152.95602
"808542"	395.1766	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M"	0
"980982"	376.15821	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-H2O-H"	-19.01839
"76154"	262.443790666667	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M-3H"	-3.021828
"516444"	394.169324	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M-3H"	-3.021828
"890968"	130.718257333333	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-3H"	-3.021828
"10633"	394.169324	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M-2H"	-2.014552
"448007"	591.757624	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M-2H"	-2.014552
"822526"	196.581024	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-2H"	-2.014552
"85798"	789.345924	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M-H"	-1.007276
"528640"	1184.522524	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M-H"	-1.007276
"906442"	394.169324	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-H"	-1.007276
"61546"	806.372471	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M-2H+NH4"	16.019271
"497100"	1201.549071	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M-2H+NH4"	16.019271
"873809"	411.195871	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-2H+NH4"	16.019271
"43893"	811.327866	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M-2H+Na"	20.974666
"484917"	1206.504466	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M-2H+Na"	20.974666
"861258"	416.151266	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-2H+Na"	20.974666
"1629698"	416.151266	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Na-2H"	20.974666
"105134"	412.157663	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M-H+Cl"	33.962126
"543606"	609.745963	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M-H+Cl"	33.962126
"931655"	214.569363	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-H+Cl"	33.962126
"268142"	825.322602	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+Cl"	34.969402
"661534"	1220.499202	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+Cl"	34.969402
"1274183"	430.146002	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Cl"	34.969402
"16862"	827.301806	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M-2H+K"	36.948606
"456299"	1222.478406	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M-2H+K"	36.948606
"840422"	432.125206	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-2H+K"	36.948606
"1562817"	432.125206	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+K-2H"	36.948606
"951793"	440.174794	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-H+HCOOH"	44.998194
"374750"	835.351401	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+HCOOH-H"	44.998201
"359362"	849.367051	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+Hac-H"	59.013851
"1504918"	454.190451	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Hac-H"	59.013851
"965897"	462.156751	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-H+NaCOOH"	66.980151
"122456"	430.146002	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+2Cl"	69.938804
"563110"	627.734302	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+2Cl"	69.938804
"1036651"	232.557702	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2Cl"	69.938804
"1254772"	474.095485	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Br"	78.918885
"1312848"	476.151472	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Cl+HCOOH"	80.974872
"1332534"	498.133429	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Cl+NaCOOH"	102.956829
"926146"	508.162186	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M-H+CF3COOH"	112.985586
"1290462"	544.138864	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Cl+CF3COOH"	148.962264
"1369716"	360.163924	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H-2H2O"	-35.012676
"1385023"	378.1739	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H-H2O"	-17.0027
"287992"	791.360476	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+H"	1.007276
"678592"	1186.537076	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+H"	1.007276
"1351821"	396.183876	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H"	1.007276
"130745"	396.183876	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+2H"	2.014552
"569577"	593.772176	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+2H"	2.014552
"1040564"	198.595576	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2H"	2.014552
"208465"	264.458342666667	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+3H"	3.021828
"647659"	396.183876	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+3H"	3.021828
"1172350"	132.732809333333	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+3H"	3.021828
"431250"	808.387023	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+NH4"	18.033823
"794429"	1203.563623	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+NH4"	18.033823
"1684561"	413.210423	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+NH4"	18.033823
"337945"	404.6971495	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+H+NH4"	19.041099
"725991"	602.2854495	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+H+NH4"	19.041099
"1482000"	207.1088495	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H+NH4"	19.041099
"399587"	813.342418	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+Na"	22.989218
"757304"	1208.519018	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+Na"	22.989218
"1606496"	418.165818	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Na"	22.989218
"315072"	407.174847	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+H+Na"	23.996494
"708953"	604.763147	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+H+Na"	23.996494
"1462648"	209.586547	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H+Na"	23.996494
"1054926"	140.060123333333	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2H+Na"	25.00377
"1260980"	428.210086	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+CH3OH+H"	33.033486
"379555"	829.316358	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+K"	38.963158
"741644"	1224.492958	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+K"	38.963158
"1546979"	434.139758	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+K"	38.963158
"307438"	415.161817	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+H+K"	39.970434
"704601"	612.750117	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+H+K"	39.970434
"1458056"	217.573517	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H+K"	39.970434
"243380"	832.387026	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+ACN+H"	42.033826
"1222649"	437.210426	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+ACN+H"	42.033826
"1206532"	219.108851	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+ACN+2H"	43.041102
"201590"	835.32436	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+2Na-H"	44.97116
"641152"	1230.50096	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+2Na-H"	44.97116
"1144660"	440.14776	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2Na-H"	44.97116
"184667"	418.165818	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+2Na"	45.978436
"620946"	615.754118	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+2Na"	45.978436
"1128099"	220.577518	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2Na"	45.978436
"1412596"	147.387437333333	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H+2Na"	46.985712
"1434622"	442.189346	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H+HCOOH"	47.012746
"231974"	423.19884	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+3H2O+2H"	56.04448
"1516756"	456.24139	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+IsoProp+H"	61.06479
"415349"	426.152788	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+Na+K"	61.952376
"777802"	623.741088	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+Na+K"	61.952376
"1669029"	228.564488	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Na+K"	61.952376
"255186"	854.368968	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+ACN+Na"	64.015768
"1228995"	459.192368	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+ACN+Na"	64.015768
"1717881"	459.215893	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+NH4+HCOOH"	64.039293
"1187246"	154.714751333333	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+3Na"	68.967654
"1658233"	464.171288	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Na+HCOOH"	68.994688
"165095"	867.27224	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+2K-H"	76.91904
"602468"	1262.44884	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+2K-H"	76.91904
"1089167"	472.09564	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2K-H"	76.91904
"143796"	434.139758	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"2M+2K"	77.926316
"583354"	631.728058	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"3M+2K"	77.926316
"1075523"	236.551458	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2K"	77.926316
"1103267"	474.110192	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2K+H"	78.933592
"1339651"	474.197807	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+DMSO+H"	79.021207
"1015835"	478.236976	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2ACN+H"	83.060376
"1536148"	479.230608	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+IsoProp+Na+H"	84.054008
"998224"	239.622126	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+2ACN+2H"	84.067652
"1594914"	480.145228	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+K+HCOOH"	84.968628
"1417298"	510.176738	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+H+CF3COOH"	115.000138
"1149774"	260.135401	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+3ACN+2H"	125.094202
"1698591"	527.203285	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+NH4+CF3COOH"	132.026685
"1634607"	532.15868	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+Na+CF3COOH"	136.98208
"1578288"	548.13262	"C19904"	"Latrunculin B"	"C20H29NO5S"	"395.1766"	"M+K+CF3COOH"	152.95602
"808652"	308.1525	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M"	0
"979999"	289.13411	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-H2O-H"	-19.01839
"74805"	204.427724	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M-3H"	-3.021828
"516189"	307.145224	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M-3H"	-3.021828
"895008"	101.710224	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-3H"	-3.021828
"10743"	307.145224	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M-2H"	-2.014552
"451397"	461.221474	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M-2H"	-2.014552
"825918"	153.068974	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-2H"	-2.014552
"85908"	615.297724	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M-H"	-1.007276
"531666"	923.450224	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M-H"	-1.007276
"903274"	307.145224	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-H"	-1.007276
"55461"	632.324271	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M-2H+NH4"	16.019271
"493927"	940.476771	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M-2H+NH4"	16.019271
"875010"	324.171771	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-2H+NH4"	16.019271
"41816"	637.279666	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M-2H+Na"	20.974666
"485510"	945.432166	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M-2H+Na"	20.974666
"861365"	329.127166	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-2H+Na"	20.974666
"1627621"	329.127166	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Na-2H"	20.974666
"104152"	325.133563	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M-H+Cl"	33.962126
"543716"	479.209813	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M-H+Cl"	33.962126
"933952"	171.057313	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-H+Cl"	33.962126
"269592"	651.274402	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+Cl"	34.969402
"661520"	959.426902	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+Cl"	34.969402
"1274048"	343.121902	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Cl"	34.969402
"19891"	653.253606	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M-2H+K"	36.948606
"460546"	961.406106	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M-2H+K"	36.948606
"842722"	345.101106	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-2H+K"	36.948606
"1566209"	345.101106	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+K-2H"	36.948606
"955187"	353.150694	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-H+HCOOH"	44.998194
"371218"	661.303201	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+HCOOH-H"	44.998201
"358747"	675.318851	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+Hac-H"	59.013851
"1498467"	367.166351	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Hac-H"	59.013851
"973176"	375.132651	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-H+NaCOOH"	66.980151
"120380"	343.121902	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+2Cl"	69.938804
"559944"	497.198152	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+2Cl"	69.938804
"1033116"	189.045652	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2Cl"	69.938804
"1254885"	387.071385	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Br"	78.918885
"1316241"	389.127372	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Cl+HCOOH"	80.974872
"1329361"	411.109329	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Cl+NaCOOH"	102.956829
"923699"	421.138086	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M-H+CF3COOH"	112.985586
"1289477"	457.114764	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Cl+CF3COOH"	148.962264
"1372014"	273.139824	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H-2H2O"	-35.012676
"1385132"	291.1498	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H-H2O"	-17.0027
"287373"	617.312276	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+H"	1.007276
"681618"	925.464776	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+H"	1.007276
"1353957"	309.159776	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H"	1.007276
"126844"	309.159776	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+2H"	2.014552
"568957"	463.236026	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+2H"	2.014552
"1039578"	155.083526	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2H"	2.014552
"208212"	206.442276	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+3H"	3.021828
"651055"	309.159776	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+3H"	3.021828
"1169183"	103.724776	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+3H"	3.021828
"428442"	634.338823	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+NH4"	18.033823
"792353"	942.491323	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+NH4"	18.033823
"1685767"	326.186323	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+NH4"	18.033823
"336964"	317.6730495	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+H+NH4"	19.041099
"725006"	471.7492995	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+H+NH4"	19.041099
"1477852"	163.5967995	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H+NH4"	19.041099
"394228"	639.294218	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+Na"	22.989218
"757411"	947.446718	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+Na"	22.989218
"1604782"	331.141718	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Na"	22.989218
"315913"	320.150747	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+H+Na"	23.996494
"709063"	474.226997	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+H+Na"	23.996494
"1461788"	166.074497	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H+Na"	23.996494
"1055036"	111.05209	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2H+Na"	25.00377
"1263276"	341.185986	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+CH3OH+H"	33.033486
"380029"	655.268158	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+K"	38.963158
"746130"	963.420658	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+K"	38.963158
"1551464"	347.115658	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+K"	38.963158
"309736"	328.137717	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+H+K"	39.970434
"699970"	482.213967	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+H+K"	39.970434
"1458169"	174.061467	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H+K"	39.970434
"249687"	658.338826	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+ACN+H"	42.033826
"1221666"	350.186326	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+ACN+H"	42.033826
"1203361"	175.596801	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+ACN+2H"	43.041102
"201702"	661.27616	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+2Na-H"	44.97116
"641261"	969.42866	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+2Na-H"	44.97116
"1145740"	353.12366	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2Na-H"	44.97116
"184776"	331.141718	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+2Na"	45.978436
"618140"	485.217968	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+2Na"	45.978436
"1131046"	177.065468	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2Na"	45.978436
"1413555"	118.379404	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H+2Na"	46.985712
"1439105"	355.165246	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H+HCOOH"	47.012746
"229896"	336.17474	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+3H2O+2H"	56.04448
"1517960"	369.21729	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+IsoProp+H"	61.06479
"414366"	339.128688	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+Na+K"	61.952376
"777548"	493.204938	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+Na+K"	61.952376
"1672055"	185.052438	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Na+K"	61.952376
"256754"	680.320768	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+ACN+Na"	64.015768
"1229834"	372.168268	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+ACN+Na"	64.015768
"1718721"	372.191793	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+NH4+HCOOH"	64.039293
"1187358"	125.706718	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+3Na"	68.967654
"1655063"	377.147188	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Na+HCOOH"	68.994688
"165205"	693.22404	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+2K-H"	76.91904
"605859"	1001.37654	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+2K-H"	76.91904
"1089277"	385.07154	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2K-H"	76.91904
"142931"	347.115658	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"2M+2K"	77.926316
"581880"	501.191908	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"3M+2K"	77.926316
"1072354"	193.039408	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2K"	77.926316
"1101430"	387.086092	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2K+H"	78.933592
"1338668"	387.173707	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+DMSO+H"	79.021207
"1010480"	391.212876	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2ACN+H"	83.060376
"1527511"	392.206508	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+IsoProp+Na+H"	84.054008
"993960"	196.110076	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+2ACN+2H"	84.067652
"1595024"	393.121128	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+K+HCOOH"	84.968628
"1414487"	423.152638	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+H+CF3COOH"	115.000138
"1148299"	216.623351	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+3ACN+2H"	125.094202
"1698340"	440.179185	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+NH4+CF3COOH"	132.026685
"1634597"	445.13458	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+Na+CF3COOH"	136.98208
"1578398"	461.10852	"C19905"	"DMXB-A;GTS-21;24-Dimethoxybenzylidene anabaseine"	"C19H20N2O2"	"308.1525"	"M+K+CF3COOH"	152.95602
"815324"	67.0422	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M"	0
"976100"	48.02381	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-H2O-H"	-19.01839
"71634"	43.687524	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M-3H"	-3.021828
"516663"	66.034924	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M-3H"	-3.021828
"890092"	21.340124	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-3H"	-3.021828
"15513"	66.034924	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M-2H"	-2.014552
"451506"	99.556024	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M-2H"	-2.014552
"831374"	32.513824	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-2H"	-2.014552
"93190"	133.077124	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M-H"	-1.007276
"531050"	200.119324	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M-H"	-1.007276
"908852"	66.034924	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-H"	-1.007276
"61042"	150.103671	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M-2H+NH4"	16.019271
"498414"	217.145871	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M-2H+NH4"	16.019271
"878894"	83.061471	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-2H+NH4"	16.019271
"46065"	155.059066	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M-2H+Na"	20.974666
"485867"	222.101266	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M-2H+Na"	20.974666
"864078"	88.016866	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-2H+Na"	20.974666
"1632835"	88.016866	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Na-2H"	20.974666
"105353"	84.023263	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M-H+Cl"	33.962126
"544918"	117.544363	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M-H+Cl"	33.962126
"931144"	50.502163	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-H+Cl"	33.962126
"274805"	169.053802	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+Cl"	34.969402
"669413"	236.096002	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+Cl"	34.969402
"1284004"	102.011602	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Cl"	34.969402
"25468"	171.033006	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M-2H+K"	36.948606
"463933"	238.075206	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M-2H+K"	36.948606
"839547"	103.990806	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-2H+K"	36.948606
"1559754"	103.990806	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+K-2H"	36.948606
"952013"	112.040394	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-H+HCOOH"	44.998194
"372414"	179.082601	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+HCOOH-H"	44.998201
"356303"	193.098251	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+Hac-H"	59.013851
"1508055"	126.056051	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Hac-H"	59.013851
"972680"	134.022351	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-H+NaCOOH"	66.980151
"122676"	102.011602	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+2Cl"	69.938804
"564424"	135.532702	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+2Cl"	69.938804
"1035410"	68.490502	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2Cl"	69.938804
"1253898"	145.961085	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Br"	78.918885
"1315253"	148.017072	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Cl+HCOOH"	80.974872
"1329470"	169.999029	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Cl+NaCOOH"	102.956829
"919441"	180.027786	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M-H+CF3COOH"	112.985586
"1296150"	216.004464	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Cl+CF3COOH"	148.962264
"1371759"	32.029524	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H-2H2O"	-35.012676
"1388526"	50.0395	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H-H2O"	-17.0027
"289307"	135.091676	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+H"	1.007276
"678449"	202.133876	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+H"	1.007276
"1356982"	68.049476	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H"	1.007276
"128780"	68.049476	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+2H"	2.014552
"570526"	101.570576	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+2H"	2.014552
"1037867"	34.528376	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2H"	2.014552
"207592"	45.702076	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+3H"	3.021828
"648975"	68.049476	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+3H"	3.021828
"1166006"	23.354676	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+3H"	3.021828
"431469"	152.118223	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+NH4"	18.033823
"789185"	219.160423	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+NH4"	18.033823
"1687702"	85.076023	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+NH4"	18.033823
"339260"	76.5627495	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+H+NH4"	19.041099
"729497"	110.0838495	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+H+NH4"	19.041099
"1485502"	43.0416495	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H+NH4"	19.041099
"398717"	157.073618	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+Na"	22.989218
"760805"	224.115818	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+Na"	22.989218
"1607810"	90.031418	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Na"	22.989218
"316751"	79.040447	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+H+Na"	23.996494
"707830"	112.561547	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+H+Na"	23.996494
"1463721"	45.519347	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H+Na"	23.996494
"1054054"	30.68199	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2H+Na"	25.00377
"1262292"	100.075686	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+CH3OH+H"	33.033486
"379774"	173.047558	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+K"	38.963158
"749521"	240.089758	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+K"	38.963158
"1554369"	106.005358	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+K"	38.963158
"309845"	87.027417	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+H+K"	39.970434
"705915"	120.548517	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+H+K"	39.970434
"1461073"	53.506317	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H+K"	39.970434
"251380"	176.118226	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+ACN+H"	42.033826
"1225430"	109.076026	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+ACN+H"	42.033826
"1209553"	55.041651	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+ACN+2H"	43.041102
"203392"	179.05556	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+2Na-H"	44.97116
"642464"	246.09776	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+2Na-H"	44.97116
"1146827"	112.01336	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2Na-H"	44.97116
"188418"	90.031418	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+2Na"	45.978436
"628260"	123.552518	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+2Na"	45.978436
"1131121"	56.510318	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2Na"	45.978436
"1410382"	38.009304	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H+2Na"	46.985712
"1439217"	114.054946	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H+HCOOH"	47.012746
"231101"	95.06444	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+3H2O+2H"	56.04448
"1518070"	128.10699	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+IsoProp+H"	61.06479
"414840"	98.018388	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+Na+K"	61.952376
"776198"	131.539488	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+Na+K"	61.952376
"1670714"	64.497288	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Na+K"	61.952376
"255047"	198.100168	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+ACN+Na"	64.015768
"1228120"	131.057968	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+ACN+Na"	64.015768
"1719923"	131.081493	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+NH4+HCOOH"	64.039293
"1188561"	45.336618	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+3Na"	68.967654
"1660640"	136.036888	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Na+HCOOH"	68.994688
"166408"	211.00344	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+2K-H"	76.91904
"605968"	278.04564	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+2K-H"	76.91904
"1085378"	143.96124	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2K-H"	76.91904
"142556"	106.005358	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"2M+2K"	77.926316
"587950"	139.526458	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"3M+2K"	77.926316
"1069662"	72.484258	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2K"	77.926316
"1101903"	145.975792	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2K+H"	78.933592
"1343151"	146.063407	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+DMSO+H"	79.021207
"1008400"	150.102576	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2ACN+H"	83.060376
"1524696"	151.096208	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+IsoProp+Na+H"	84.054008
"994069"	75.554926	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+2ACN+2H"	84.067652
"1590759"	152.010828	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+K+HCOOH"	84.968628
"1415448"	182.042338	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+H+CF3COOH"	115.000138
"1149995"	96.068201	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+3ACN+2H"	125.094202
"1698450"	199.068885	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+NH4+CF3COOH"	132.026685
"1643949"	204.02428	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+Na+CF3COOH"	136.98208
"1571700"	219.99822	"C19907"	"Pyrrole"	"C4H5N"	"67.0422"	"M+K+CF3COOH"	152.95602
"805593"	204.1878	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M"	0
"975480"	185.16941	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"68464"	135.117924	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516773"	203.180524	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"889109"	67.055324	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14608"	203.180524	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"448337"	305.274424	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"826138"	101.086624	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"93786"	407.368324	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"531160"	611.556124	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909690"	203.180524	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61639"	424.394871	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"498524"	628.582671	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878759"	220.207071	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"43135"	429.350266	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485977"	633.538066	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"864023"	225.162466	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1631123"	225.162466	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104373"	221.168863	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"542841"	323.262763	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930526"	119.074963	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"271634"	443.345002	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"668431"	647.532802	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285207"	239.157202	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"28857"	445.324206	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"464043"	649.512006	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838564"	241.136406	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1562051"	241.136406	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"949936"	249.185994	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371431"	453.373801	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356413"	467.389451	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507557"	263.201651	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972788"	271.167951	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"122422"	239.157202	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"563806"	341.251102	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032240"	137.063302	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253645"	283.106685	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1312083"	285.162672	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1328487"	307.144629	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"916997"	317.173386	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1296260"	353.150064	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1377338"	169.175124	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1391917"	187.1851	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"290510"	409.382876	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684026"	613.570676	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1354906"	205.195076	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H"	1.007276
"132171"	205.195076	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"572824"	307.288976	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1043811"	103.101176	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"213899"	137.132476	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"646897"	205.195076	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1171589"	69.069876	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"430487"	426.409423	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"792575"	630.597223	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1689999"	222.221623	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340463"	213.7083495	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729607"	315.8022495	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1486705"	111.6144495	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"399920"	431.364818	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"763103"	635.552618	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1607920"	227.177018	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"319048"	216.186047	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707459"	318.279947	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1467477"	114.092147	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053432"	76.39719	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1261308"	237.221286	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379884"	447.338758	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"743067"	651.526558	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1547308"	243.150958	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K"	38.963158
"309956"	224.173017	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"705660"	326.266917	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1461065"	122.079117	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"251006"	450.409426	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1224682"	246.221626	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1209582"	123.614451	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"203504"	453.34676	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"641481"	657.53456	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1146612"	249.15896	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"188479"	227.177018	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"627840"	329.270918	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1131274"	125.083118	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1410492"	83.724504	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1436047"	251.200546	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"229024"	232.21004	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1514898"	265.25259	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"415679"	235.163988	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"773028"	337.257888	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1674104"	133.070088	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"252971"	472.391368	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1231147"	268.203568	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720036"	268.227093	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1189764"	91.051818	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659657"	273.182488	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"168705"	485.29464	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"607172"	689.48244	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1087311"	281.10684	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145220"	243.150958	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"589883"	345.244858	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1076948"	141.057058	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1101165"	283.121392	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1339982"	283.209007	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1011062"	287.248176	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531013"	288.241808	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"992358"	144.127726	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1590140"	289.156428	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1415800"	319.187938	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1149010"	164.641001	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1698560"	336.214485	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1636039"	341.16988	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1572783"	357.14382	"C19908"	"()-beta-Chamigrene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"805703"	309.106	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M"	0
"979238"	290.08761	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H2O-H"	-19.01839
"74042"	205.063390666667	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-3H"	-3.021828
"514696"	308.098724	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-3H"	-3.021828
"891406"	102.028057333333	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-3H"	-3.021828
"8887"	308.098724	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H"	-2.014552
"447354"	462.651724	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H"	-2.014552
"822969"	153.545724	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H"	-2.014552
"92438"	617.204724	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-H"	-1.007276
"529083"	926.310724	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-H"	-1.007276
"906884"	308.098724	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H"	-1.007276
"61139"	634.231271	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+NH4"	16.019271
"495354"	943.337271	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+NH4"	16.019271
"879357"	325.125271	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+NH4"	16.019271
"42152"	639.186666	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+Na"	20.974666
"486455"	948.292666	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+Na"	20.974666
"862795"	330.080666	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+Na"	20.974666
"1629047"	330.080666	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na-2H"	20.974666
"106670"	326.087063	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-H+Cl"	33.962126
"544043"	480.640063	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-H+Cl"	33.962126
"933188"	171.534063	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+Cl"	33.962126
"269193"	653.181402	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Cl"	34.969402
"670728"	962.287402	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Cl"	34.969402
"1284224"	344.075402	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl"	34.969402
"26781"	655.160606	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+K"	36.948606
"464153"	964.266606	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+K"	36.948606
"838674"	346.054606	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+K"	36.948606
"1562161"	346.054606	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K-2H"	36.948606
"951140"	354.104194	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+HCOOH"	44.998194
"370447"	663.210201	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+HCOOH-H"	44.998201
"356523"	677.225851	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Hac-H"	59.013851
"1506814"	368.119851	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Hac-H"	59.013851
"968523"	376.086151	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+NaCOOH"	66.980151
"120710"	344.075402	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Cl"	69.938804
"561364"	498.628402	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Cl"	69.938804
"1033444"	189.522402	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Cl"	69.938804
"1254119"	388.024885	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Br"	78.918885
"1313287"	390.080872	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+HCOOH"	80.974872
"1328597"	412.062829	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+NaCOOH"	102.956829
"913827"	422.091586	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+CF3COOH"	112.985586
"1291995"	458.068264	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+CF3COOH"	148.962264
"1374532"	274.093324	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H-2H2O"	-35.012676
"1392027"	292.1033	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H-H2O"	-17.0027
"289527"	619.219276	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H"	1.007276
"684137"	928.325276	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H"	1.007276
"1358297"	310.113276	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H"	1.007276
"132282"	310.113276	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2H"	2.014552
"569655"	464.666276	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2H"	2.014552
"1040641"	155.560276	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2H"	2.014552
"214009"	207.077942666667	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+3H"	3.021828
"647736"	310.113276	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+3H"	3.021828
"1170606"	104.042609333333	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+3H"	3.021828
"429504"	636.245823	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+NH4"	18.033823
"792686"	945.351823	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+NH4"	18.033823
"1686831"	327.139823	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4"	18.033823
"340573"	318.6265495	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+NH4"	19.041099
"731902"	473.1795495	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+NH4"	19.041099
"1485724"	164.0735495	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+NH4"	19.041099
"401124"	641.201218	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Na"	22.989218
"759932"	950.307218	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Na"	22.989218
"1609123"	332.095218	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na"	22.989218
"315390"	321.104247	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+Na"	23.996494
"708299"	475.657247	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+Na"	23.996494
"1464307"	166.551247	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+Na"	23.996494
"1053010"	111.369923333333	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2H+Na"	25.00377
"1258138"	342.139486	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+CH3OH+H"	33.033486
"381088"	657.175158	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+K"	38.963158
"744272"	966.281158	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+K"	38.963158
"1548512"	348.069158	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K"	38.963158
"308973"	329.091217	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+K"	39.970434
"704311"	483.644217	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+K"	39.970434
"1460325"	174.538217	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+K"	39.970434
"251199"	660.245826	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+ACN+H"	42.033826
"1225569"	351.139826	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+H"	42.033826
"1208311"	176.073551	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+2H"	43.041102
"202764"	663.18316	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Na-H"	44.97116
"642202"	972.28916	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Na-H"	44.97116
"1144374"	354.07716	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Na-H"	44.97116
"185477"	332.095218	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Na"	45.978436
"627227"	486.648218	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Na"	45.978436
"1130727"	177.542218	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Na"	45.978436
"1409874"	118.697237333333	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+2Na"	46.985712
"1438344"	356.118746	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+HCOOH"	47.012746
"230227"	337.12824	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+3H2O+2H"	56.04448
"1515008"	370.17079	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+IsoProp+H"	61.06479
"411777"	340.082188	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Na+K"	61.952376
"774595"	494.635188	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Na+K"	61.952376
"1672027"	185.529188	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+K"	61.952376
"255267"	682.227768	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+ACN+Na"	64.015768
"1232350"	373.121768	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+Na"	64.015768
"1719051"	373.145293	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4+HCOOH"	64.039293
"1185501"	126.024551333333	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+3Na"	68.967654
"1659038"	378.100688	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+HCOOH"	68.994688
"169545"	695.13104	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2K-H"	76.91904
"605825"	1004.23704	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2K-H"	76.91904
"1090701"	386.02504	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K-H"	76.91904
"145330"	348.069158	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2K"	77.926316
"589993"	502.622158	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2K"	77.926316
"1072683"	193.516158	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K"	77.926316
"1106986"	388.039592	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K+H"	78.933592
"1338270"	388.127207	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+DMSO+H"	79.021207
"1010808"	392.166376	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2ACN+H"	83.060376
"1530030"	393.160008	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+IsoProp+Na+H"	84.054008
"992104"	196.586826	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2ACN+2H"	84.067652
"1588791"	394.074628	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K+HCOOH"	84.968628
"1414446"	424.106138	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+CF3COOH"	115.000138
"1148391"	217.100101	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+3ACN+2H"	125.094202
"1697576"	441.132685	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4+CF3COOH"	132.026685
"1635421"	446.08808	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+CF3COOH"	136.98208
"1572167"	462.06202	"C19909"	"N-Acetyl-alpha-neuraminate;alpha-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K+CF3COOH"	152.95602
"805813"	309.106	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M"	0
"981534"	290.08761	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H2O-H"	-19.01839
"76337"	205.063390666667	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-3H"	-3.021828
"513712"	308.098724	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-3H"	-3.021828
"893702"	102.028057333333	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-3H"	-3.021828
"14102"	308.098724	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H"	-2.014552
"449651"	462.651724	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H"	-2.014552
"827454"	153.545724	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H"	-2.014552
"88540"	617.204724	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-H"	-1.007276
"525914"	926.310724	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-H"	-1.007276
"910771"	308.098724	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H"	-1.007276
"62105"	634.231271	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+NH4"	16.019271
"499838"	943.337271	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+NH4"	16.019271
"878861"	325.125271	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+NH4"	16.019271
"44816"	639.186666	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+Na"	20.974666
"486567"	948.292666	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+Na"	20.974666
"861447"	330.080666	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+Na"	20.974666
"1628064"	330.080666	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na-2H"	20.974666
"109918"	326.087063	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-H+Cl"	33.962126
"545977"	480.640063	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-H+Cl"	33.962126
"938765"	171.534063	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+Cl"	33.962126
"276230"	653.181402	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Cl"	34.969402
"669744"	962.287402	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Cl"	34.969402
"1284335"	344.075402	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl"	34.969402
"26893"	655.160606	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M-2H+K"	36.948606
"466451"	964.266606	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M-2H+K"	36.948606
"843160"	346.054606	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-2H+K"	36.948606
"1565554"	346.054606	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K-2H"	36.948606
"951252"	354.104194	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+HCOOH"	44.998194
"373477"	663.210201	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+HCOOH-H"	44.998201
"356632"	677.225851	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Hac-H"	59.013851
"1506561"	368.119851	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Hac-H"	59.013851
"971186"	376.086151	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+NaCOOH"	66.980151
"124467"	344.075402	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Cl"	69.938804
"565446"	498.628402	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Cl"	69.938804
"1035014"	189.522402	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Cl"	69.938804
"1253865"	388.024885	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Br"	78.918885
"1313397"	390.080872	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+HCOOH"	80.974872
"1325428"	412.062829	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+NaCOOH"	102.956829
"917217"	422.091586	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M-H+CF3COOH"	112.985586
"1292105"	458.068264	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Cl+CF3COOH"	148.962264
"1375736"	274.093324	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H-2H2O"	-35.012676
"1392140"	292.1033	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H-H2O"	-17.0027
"291824"	619.219276	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H"	1.007276
"685343"	928.325276	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H"	1.007276
"1360597"	310.113276	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H"	1.007276
"130206"	310.113276	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2H"	2.014552
"575233"	464.666276	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2H"	2.014552
"1046219"	155.560276	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2H"	2.014552
"218738"	207.077942666667	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+3H"	3.021828
"655867"	310.113276	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+3H"	3.021828
"1170716"	104.042609333333	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+3H"	3.021828
"433986"	636.245823	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+NH4"	18.033823
"791701"	945.351823	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+NH4"	18.033823
"1686941"	327.139823	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4"	18.033823
"336312"	318.6265495	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+NH4"	19.041099
"729825"	473.1795495	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+NH4"	19.041099
"1482554"	164.0735495	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+NH4"	19.041099
"396860"	641.201218	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Na"	22.989218
"758949"	950.307218	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Na"	22.989218
"1607049"	332.095218	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na"	22.989218
"322550"	321.104247	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+Na"	23.996494
"711692"	475.657247	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+Na"	23.996494
"1469887"	166.551247	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+Na"	23.996494
"1058757"	111.369923333333	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2H+Na"	25.00377
"1265904"	342.139486	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+CH3OH+H"	33.033486
"385210"	657.175158	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+K"	38.963158
"750946"	966.281158	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+K"	38.963158
"1554458"	348.069158	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K"	38.963158
"309449"	329.091217	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+H+K"	39.970434
"706616"	483.644217	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+H+K"	39.970434
"1461152"	174.538217	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+K"	39.970434
"251231"	660.245826	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+ACN+H"	42.033826
"1224789"	351.139826	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+H"	42.033826
"1209153"	176.073551	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+2H"	43.041102
"202154"	663.18316	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Na-H"	44.97116
"643408"	972.28916	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Na-H"	44.97116
"1145703"	354.07716	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Na-H"	44.97116
"187773"	332.095218	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2Na"	45.978436
"626970"	486.648218	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2Na"	45.978436
"1129746"	177.542218	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2Na"	45.978436
"1408531"	118.697237333333	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+2Na"	46.985712
"1439550"	356.118746	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+HCOOH"	47.012746
"231066"	337.12824	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+3H2O+2H"	56.04448
"1516213"	370.17079	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+IsoProp+H"	61.06479
"415900"	340.082188	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+Na+K"	61.952376
"773977"	494.635188	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+Na+K"	61.952376
"1669950"	185.529188	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+K"	61.952376
"258660"	682.227768	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+ACN+Na"	64.015768
"1232461"	373.121768	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+ACN+Na"	64.015768
"1720256"	373.145293	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4+HCOOH"	64.039293
"1187797"	126.024551333333	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+3Na"	68.967654
"1661700"	378.100688	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+HCOOH"	68.994688
"169655"	695.13104	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2K-H"	76.91904
"605935"	1004.23704	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2K-H"	76.91904
"1090812"	386.02504	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K-H"	76.91904
"151637"	348.069158	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"2M+2K"	77.926316
"591197"	502.622158	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"3M+2K"	77.926316
"1078263"	193.516158	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K"	77.926316
"1107099"	388.039592	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2K+H"	78.933592
"1346763"	388.127207	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+DMSO+H"	79.021207
"1014198"	392.166376	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2ACN+H"	83.060376
"1535607"	393.160008	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+IsoProp+Na+H"	84.054008
"993306"	196.586826	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+2ACN+2H"	84.067652
"1591453"	394.074628	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K+HCOOH"	84.968628
"1414925"	424.106138	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+H+CF3COOH"	115.000138
"1149231"	217.100101	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+3ACN+2H"	125.094202
"1697686"	441.132685	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+NH4+CF3COOH"	132.026685
"1639902"	446.08808	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+Na+CF3COOH"	136.98208
"1572277"	462.06202	"C19910"	"N-Acetyl-beta-neuraminate;beta-Neu5Ac"	"C11H19NO9"	"309.106"	"M+K+CF3COOH"	152.95602
"804099"	133.0375	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M"	0
"977268"	114.01911	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-H2O-H"	-19.01839
"67698"	87.6843906666667	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M-3H"	-3.021828
"508353"	132.030224	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M-3H"	-3.021828
"891624"	43.3385573333333	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-3H"	-3.021828
"8013"	132.030224	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M-2H"	-2.014552
"446479"	198.548974	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M-2H"	-2.014552
"823189"	65.511474	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-2H"	-2.014552
"90834"	265.067724	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M-H"	-1.007276
"524928"	398.105224	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M-H"	-1.007276
"907106"	132.030224	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-H"	-1.007276
"56015"	282.094271	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M-2H+NH4"	16.019271
"496666"	415.131771	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M-2H+NH4"	16.019271
"873376"	149.056771	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-2H+NH4"	16.019271
"43465"	287.049666	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M-2H+Na"	20.974666
"485210"	420.087166	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M-2H+Na"	20.974666
"856452"	154.012166	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-2H+Na"	20.974666
"1625986"	154.012166	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Na-2H"	20.974666
"108594"	150.018563	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M-H+Cl"	33.962126
"547179"	216.537313	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M-H+Cl"	33.962126
"935594"	83.499813	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-H+Cl"	33.962126
"271964"	301.044402	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+Cl"	34.969402
"661105"	434.081902	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+Cl"	34.969402
"1283351"	168.006902	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Cl"	34.969402
"23721"	303.023606	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M-2H+K"	36.948606
"469115"	436.061106	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M-2H+K"	36.948606
"841085"	169.986106	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-2H+K"	36.948606
"1568582"	169.986106	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+K-2H"	36.948606
"954643"	178.035694	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-H+HCOOH"	44.998194
"373587"	311.073201	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+HCOOH-H"	44.998201
"358930"	325.088851	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+Hac-H"	59.013851
"1507278"	192.051351	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Hac-H"	59.013851
"972753"	200.017651	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-H+NaCOOH"	66.980151
"114371"	168.006902	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+2Cl"	69.938804
"564501"	234.525652	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+2Cl"	69.938804
"1034760"	101.488152	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2Cl"	69.938804
"1251058"	211.956385	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Br"	78.918885
"1310226"	214.012372	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Cl+HCOOH"	80.974872
"1327722"	235.994329	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Cl+NaCOOH"	102.956829
"917689"	246.023086	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M-H+CF3COOH"	112.985586
"1296588"	281.999764	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Cl+CF3COOH"	148.962264
"1371470"	98.024824	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H-2H2O"	-35.012676
"1388968"	116.0348	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H-H2O"	-17.0027
"285374"	267.082276	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+H"	1.007276
"684359"	400.119776	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+H"	1.007276
"1357427"	134.044776	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H"	1.007276
"134690"	134.044776	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+2H"	2.014552
"576437"	200.563526	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+2H"	2.014552
"1048882"	67.526026	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2H"	2.014552
"217511"	89.6989426666667	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+3H"	3.021828
"655981"	134.044776	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+3H"	3.021828
"1166454"	45.3531093333333	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+3H"	3.021828
"431912"	284.108823	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+NH4"	18.033823
"788536"	417.146323	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+NH4"	18.033823
"1688143"	151.071323	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+NH4"	18.033823
"336422"	142.5580495	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+H+NH4"	19.041099
"728842"	209.0767995	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+H+NH4"	19.041099
"1483758"	76.0392995	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H+NH4"	19.041099
"403532"	289.064218	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+Na"	22.989218
"761250"	422.101718	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+Na"	22.989218
"1608250"	156.026718	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Na"	22.989218
"324848"	145.035747	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+H+Na"	23.996494
"712897"	211.554497	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+H+Na"	23.996494
"1469997"	78.516997	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H+Na"	23.996494
"1061056"	52.6804233333333	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2H+Na"	25.00377
"1268203"	166.070986	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+CH3OH+H"	33.033486
"385687"	305.038158	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+K"	38.963158
"749964"	438.075658	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+K"	38.963158
"1552018"	172.000658	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+K"	38.963158
"311018"	153.022717	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+H+K"	39.970434
"706683"	219.541467	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+H+K"	39.970434
"1460705"	86.503967	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H+K"	39.970434
"250972"	308.108826	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+ACN+H"	42.033826
"1225261"	175.071326	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+ACN+H"	42.033826
"1207441"	88.039301	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+ACN+2H"	43.041102
"203229"	311.04616	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+2Na-H"	44.97116
"642546"	444.08366	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+2Na-H"	44.97116
"1146053"	178.00866	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2Na-H"	44.97116
"187401"	156.026718	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+2Na"	45.978436
"626355"	222.545468	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+2Na"	45.978436
"1128032"	89.507968	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2Na"	45.978436
"1411558"	60.0077373333333	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H+2Na"	46.985712
"1441850"	180.050246	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H+HCOOH"	47.012746
"231540"	161.05974	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+3H2O+2H"	56.04448
"1515229"	194.10229	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+IsoProp+H"	61.06479
"416010"	164.013688	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+Na+K"	61.952376
"781748"	230.532438	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+Na+K"	61.952376
"1675526"	97.494938	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Na+K"	61.952376
"262781"	330.090768	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+ACN+Na"	64.015768
"1235489"	197.053268	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+ACN+Na"	64.015768
"1725471"	197.076793	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+NH4+HCOOH"	64.039293
"1187545"	67.3350513333333	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+3Na"	68.967654
"1657801"	202.032188	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Na+HCOOH"	68.994688
"167579"	342.99404	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+2K-H"	76.91904
"604223"	476.03154	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+2K-H"	76.91904
"1088735"	209.95654	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2K-H"	76.91904
"149561"	172.000658	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"2M+2K"	77.926316
"589486"	238.519408	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"3M+2K"	77.926316
"1072906"	105.481908	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2K"	77.926316
"1103200"	211.971092	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2K+H"	78.933592
"1340314"	212.058707	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+DMSO+H"	79.021207
"1008114"	216.097876	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2ACN+H"	83.060376
"1526969"	217.091508	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+IsoProp+Na+H"	84.054008
"991230"	108.552576	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+2ACN+2H"	84.067652
"1588280"	218.006128	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+K+HCOOH"	84.968628
"1414546"	248.037638	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+H+CF3COOH"	115.000138
"1147227"	129.065851	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+3ACN+2H"	125.094202
"1697147"	265.064185	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+NH4+CF3COOH"	132.026685
"1640012"	270.01958	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+Na+CF3COOH"	136.98208
"1572387"	285.99352	"C19911"	"Iminodiacetate"	"C4H7NO4"	"133.0375"	"M+K+CF3COOH"	152.95602
"809314"	426.2409	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M"	0
"979568"	407.22251	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-H2O-H"	-19.01839
"67081"	283.153324	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M-3H"	-3.021828
"513934"	425.233624	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M-3H"	-3.021828
"891735"	141.073024	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-3H"	-3.021828
"3750"	425.233624	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M-2H"	-2.014552
"447684"	638.354074	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M-2H"	-2.014552
"823300"	212.113174	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-2H"	-2.014552
"85478"	851.474524	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M-H"	-1.007276
"522849"	1277.715424	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M-H"	-1.007276
"899559"	425.233624	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-H"	-1.007276
"51748"	868.501071	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M-2H+NH4"	16.019271
"496779"	1294.741971	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M-2H+NH4"	16.019271
"872391"	442.260171	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-2H+NH4"	16.019271
"41386"	873.456466	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M-2H+Na"	20.974666
"482040"	1299.697366	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M-2H+Na"	20.974666
"856563"	447.215566	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-2H+Na"	20.974666
"1629376"	447.215566	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Na-2H"	20.974666
"104813"	443.221963	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M-H+Cl"	33.962126
"543283"	656.342413	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M-H+Cl"	33.962126
"942143"	230.101513	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-H+Cl"	33.962126
"270981"	887.451202	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+Cl"	34.969402
"661699"	1313.692102	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+Cl"	34.969402
"1274714"	461.210302	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Cl"	34.969402
"21644"	889.430406	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M-2H+K"	36.948606
"468860"	1315.671306	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M-2H+K"	36.948606
"841195"	463.189506	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-2H+K"	36.948606
"1566870"	463.189506	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+K-2H"	36.948606
"954753"	471.239094	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-H+HCOOH"	44.998194
"371878"	897.480001	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+HCOOH-H"	44.998201
"357949"	911.495651	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+Hac-H"	59.013851
"1505687"	485.254751	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Hac-H"	59.013851
"971041"	493.221051	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-H+NaCOOH"	66.980151
"121041"	461.210302	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+2Cl"	69.938804
"564976"	674.330752	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+2Cl"	69.938804
"1034511"	248.089852	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2Cl"	69.938804
"1247160"	505.159785	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Br"	78.918885
"1310337"	507.215772	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Cl+HCOOH"	80.974872
"1321271"	529.197729	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Cl+NaCOOH"	102.956829
"919987"	539.226486	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M-H+CF3COOH"	112.985586
"1299616"	575.203164	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Cl+CF3COOH"	148.962264
"1373770"	391.228224	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H-2H2O"	-35.012676
"1389078"	409.2382	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H-H2O"	-17.0027
"293143"	853.489076	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+H"	1.007276
"680093"	1279.729976	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+H"	1.007276
"1356442"	427.248176	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H"	1.007276
"132250"	427.248176	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+2H"	2.014552
"575821"	640.368626	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+2H"	2.014552
"1043162"	214.127726	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2H"	2.014552
"216530"	285.167876	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+3H"	3.021828
"656823"	427.248176	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+3H"	3.021828
"1169842"	143.087576	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+3H"	3.021828
"427650"	870.515623	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+NH4"	18.033823
"789739"	1296.756523	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+NH4"	18.033823
"1694452"	444.274723	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+NH4"	18.033823
"333252"	435.7614495	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+H+NH4"	19.041099
"725674"	648.8818995	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+H+NH4"	19.041099
"1486056"	222.6409995	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H+NH4"	19.041099
"402549"	875.471018	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+Na"	22.989218
"763544"	1301.711918	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+Na"	22.989218
"1611643"	449.230118	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Na"	22.989218
"319493"	438.239147	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+H+Na"	23.996494
"711913"	651.359597	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+H+Na"	23.996494
"1464639"	225.118697	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H+Na"	23.996494
"1057887"	150.41489	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2H+Na"	25.00377
"1261752"	459.274386	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+CH3OH+H"	33.033486
"385798"	891.444958	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+K"	38.963158
"747884"	1317.685858	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+K"	38.963158
"1548846"	465.204058	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+K"	38.963158
"309301"	446.226117	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+H+K"	39.970434
"699539"	659.346567	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+H+K"	39.970434
"1460854"	233.105667	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H+K"	39.970434
"247065"	894.515626	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+ACN+H"	42.033826
"1225250"	468.274726	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+ACN+H"	42.033826
"1209375"	234.641001	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+ACN+2H"	43.041102
"202731"	897.45296	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+2Na-H"	44.97116
"642653"	1323.69386	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+2Na-H"	44.97116
"1146569"	471.21206	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2Na-H"	44.97116
"187631"	449.230118	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+2Na"	45.978436
"626095"	662.350568	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+2Na"	45.978436
"1128502"	236.109668	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2Na"	45.978436
"1412763"	157.742204	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H+2Na"	46.985712
"1440862"	473.253646	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H+HCOOH"	47.012746
"231652"	454.26314	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+3H2O+2H"	56.04448
"1517528"	487.30569	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+IsoProp+H"	61.06479
"420499"	457.217088	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+Na+K"	61.952376
"777119"	670.337538	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+Na+K"	61.952376
"1671266"	244.096638	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Na+K"	61.952376
"263621"	916.497568	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+ACN+Na"	64.015768
"1237056"	490.256668	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+ACN+Na"	64.015768
"1724856"	490.280193	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+NH4+HCOOH"	64.039293
"1189844"	165.069518	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+3Na"	68.967654
"1660100"	495.235588	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Na+HCOOH"	68.994688
"166960"	929.40084	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+2K-H"	76.91904
"602144"	1355.64174	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+2K-H"	76.91904
"1091031"	503.15994	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2K-H"	76.91904
"146750"	465.204058	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"2M+2K"	77.926316
"583401"	678.324508	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"3M+2K"	77.926316
"1073018"	252.083608	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2K"	77.926316
"1101488"	505.174492	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2K+H"	78.933592
"1336532"	505.262107	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+DMSO+H"	79.021207
"1007007"	509.301276	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2ACN+H"	83.060376
"1525133"	510.294908	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+IsoProp+Na+H"	84.054008
"993527"	255.154276	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+2ACN+2H"	84.067652
"1587033"	511.209528	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+K+HCOOH"	84.968628
"1415150"	541.241038	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+H+CF3COOH"	115.000138
"1147991"	275.667551	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+3ACN+2H"	125.094202
"1698273"	558.267585	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+NH4+CF3COOH"	132.026685
"1640122"	563.22298	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+Na+CF3COOH"	136.98208
"1582340"	579.19692	"C19913"	"Phospho-anandamide"	"C22H37NO5P"	"426.2409"	"M+K+CF3COOH"	152.95602
"809424"	401.2777	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M"	0
"977490"	382.25931	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-H2O-H"	-19.01839
"67919"	266.511190666667	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M-3H"	-3.021828
"515137"	400.270424	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M-3H"	-3.021828
"891845"	132.751957333333	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-3H"	-3.021828
"10420"	400.270424	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M-2H"	-2.014552
"448887"	600.909274	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M-2H"	-2.014552
"819032"	199.631574	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-2H"	-2.014552
"81211"	801.548124	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M-H"	-1.007276
"522958"	1202.825824	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M-H"	-1.007276
"904040"	400.270424	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-H"	-1.007276
"59510"	818.574671	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M-2H+NH4"	16.019271
"494699"	1219.852371	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M-2H+NH4"	16.019271
"874686"	417.296971	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-2H+NH4"	16.019271
"39310"	823.530066	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M-2H+Na"	20.974666
"477778"	1224.807766	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M-2H+Na"	20.974666
"863966"	422.252366	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-2H+Na"	20.974666
"1631676"	422.252366	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Na-2H"	20.974666
"106017"	418.258763	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M-H+Cl"	33.962126
"542301"	618.897613	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M-H+Cl"	33.962126
"936909"	217.619913	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-H+Cl"	33.962126
"269999"	837.524802	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+Cl"	34.969402
"663515"	1238.802502	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+Cl"	34.969402
"1274825"	436.247102	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Cl"	34.969402
"17382"	839.504006	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M-2H+K"	36.948606
"460219"	1240.781706	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M-2H+K"	36.948606
"839117"	438.226306	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-2H+K"	36.948606
"1568075"	438.226306	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+K-2H"	36.948606
"953771"	446.275894	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-H+HCOOH"	44.998194
"373079"	847.553601	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+HCOOH-H"	44.998201
"356965"	861.569251	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+Hac-H"	59.013851
"1506773"	460.291551	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Hac-H"	59.013851
"972978"	468.257851	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-H+NaCOOH"	66.980151
"124075"	436.247102	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+2Cl"	69.938804
"555613"	636.885952	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+2Cl"	69.938804
"1033889"	235.608252	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2Cl"	69.938804
"1250187"	480.196585	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Br"	78.918885
"1313728"	482.252572	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Cl+HCOOH"	80.974872
"1320894"	504.234529	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Cl+NaCOOH"	102.956829
"917911"	514.263286	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M-H+CF3COOH"	112.985586
"1297903"	550.239964	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Cl+CF3COOH"	148.962264
"1370965"	366.265024	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H-2H2O"	-35.012676
"1387004"	384.275	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H-H2O"	-17.0027
"283526"	803.562676	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+H"	1.007276
"677651"	1204.840376	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+H"	1.007276
"1355457"	402.284976	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H"	1.007276
"131629"	402.284976	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+2H"	2.014552
"567183"	602.923826	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+2H"	2.014552
"1045459"	201.646126	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2H"	2.014552
"210082"	268.525742666667	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+3H"	3.021828
"654017"	402.284976	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+3H"	3.021828
"1176149"	134.766509333333	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+3H"	3.021828
"427759"	820.589223	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+NH4"	18.033823
"796407"	1221.866923	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+NH4"	18.033823
"1686178"	419.311523	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+NH4"	18.033823
"332270"	410.7982495	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+H+NH4"	19.041099
"730159"	611.4370995	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+H+NH4"	19.041099
"1480699"	210.1593995	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H+NH4"	19.041099
"400474"	825.544618	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+Na"	22.989218
"759282"	1226.822318	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+Na"	22.989218
"1610659"	424.266918	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Na"	22.989218
"317415"	413.275947	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+H+Na"	23.996494
"712021"	613.914797	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+H+Na"	23.996494
"1466938"	212.637097	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H+Na"	23.996494
"1059089"	142.093823333333	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2H+Na"	25.00377
"1260038"	434.311186	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+CH3OH+H"	33.033486
"382624"	841.518558	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+K"	38.963158
"741432"	1242.796258	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+K"	38.963158
"1546767"	440.240858	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+K"	38.963158
"301028"	421.262917	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+H+K"	39.970434
"706579"	621.901767	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+H+K"	39.970434
"1455658"	220.624067	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H+K"	39.970434
"249729"	844.589226	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+ACN+H"	42.033826
"1224994"	443.311526	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+ACN+H"	42.033826
"1208148"	222.159401	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+ACN+2H"	43.041102
"202842"	847.52656	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+2Na-H"	44.97116
"639485"	1248.80426	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+2Na-H"	44.97116
"1145178"	446.24886	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2Na-H"	44.97116
"184095"	424.266918	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+2Na"	45.978436
"624017"	624.905768	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+2Na"	45.978436
"1126063"	223.628068	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2Na"	45.978436
"1410322"	149.421137333333	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H+2Na"	46.985712
"1439879"	448.290446	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H+HCOOH"	47.012746
"231768"	429.29994	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+3H2O+2H"	56.04448
"1517638"	462.34249	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+IsoProp+H"	61.06479
"418423"	432.253888	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+Na+K"	61.952376
"781973"	632.892738	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+Na+K"	61.952376
"1671376"	231.615038	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Na+K"	61.952376
"261176"	866.571168	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+ACN+Na"	64.015768
"1237173"	465.293468	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+ACN+Na"	64.015768
"1722774"	465.316993	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+NH4+HCOOH"	64.039293
"1189221"	156.748451333333	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+3Na"	68.967654
"1654012"	470.272388	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Na+HCOOH"	68.994688
"165976"	879.47444	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+2K-H"	76.91904
"602254"	1280.75214	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+2K-H"	76.91904
"1091141"	478.19674	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2K-H"	76.91904
"146862"	440.240858	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"2M+2K"	77.926316
"582901"	640.879708	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"3M+2K"	77.926316
"1072033"	239.602008	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2K"	77.926316
"1105242"	480.211292	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2K+H"	78.933592
"1338712"	480.298907	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+DMSO+H"	79.021207
"1010523"	484.338076	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2ACN+H"	83.060376
"1525732"	485.331708	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+IsoProp+Na+H"	84.054008
"992545"	242.672676	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+2ACN+2H"	84.067652
"1592517"	486.246328	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+K+HCOOH"	84.968628
"1414531"	516.277838	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+H+CF3COOH"	115.000138
"1147208"	263.185951	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+3ACN+2H"	125.094202
"1697288"	533.304385	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+NH4+CF3COOH"	132.026685
"1640232"	538.25978	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+Na+CF3COOH"	136.98208
"1582450"	554.23372	"C19914"	"Myriocin;Thermozymocidin;ISP-1"	"C21H39NO6"	"401.2777"	"M+K+CF3COOH"	152.95602
"814641"	124.0273	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M"	0
"988544"	105.00891	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-H2O-H"	-19.01839
"76783"	81.6775906666667	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M-3H"	-3.021828
"515979"	123.020024	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M-3H"	-3.021828
"888674"	40.3351573333333	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-3H"	-3.021828
"9436"	123.020024	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M-2H"	-2.014552
"446807"	185.033674	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M-2H"	-2.014552
"820234"	61.006374	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-2H"	-2.014552
"81320"	247.047324	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M-H"	-1.007276
"525254"	371.074624	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M-H"	-1.007276
"900871"	123.020024	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-H"	-1.007276
"58527"	264.073871	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M-2H+NH4"	16.019271
"496996"	388.101171	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M-2H+NH4"	16.019271
"874799"	140.046571	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-2H+NH4"	16.019271
"39783"	269.029266	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M-2H+Na"	20.974666
"476795"	393.056566	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M-2H+Na"	20.974666
"854595"	145.001966	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-2H+Na"	20.974666
"1625228"	145.001966	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Na-2H"	20.974666
"96290"	141.008363	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M-H+Cl"	33.962126
"545690"	203.022013	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M-H+Cl"	33.962126
"931552"	78.994713	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-H+Cl"	33.962126
"276670"	283.024002	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+Cl"	34.969402
"670184"	407.051302	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+Cl"	34.969402
"1286964"	158.996702	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Cl"	34.969402
"25145"	285.003206	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M-2H+K"	36.948606
"470173"	409.030506	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M-2H+K"	36.948606
"842508"	160.975906	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-2H+K"	36.948606
"1569279"	160.975906	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+K-2H"	36.948606
"957161"	169.025494	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-H+HCOOH"	44.998194
"376230"	293.052801	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+HCOOH-H"	44.998201
"358167"	307.068451	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+Hac-H"	59.013851
"1507248"	183.041151	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Hac-H"	59.013851
"974044"	191.007451	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-H+NaCOOH"	66.980151
"124671"	158.996702	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+2Cl"	69.938804
"564961"	221.010352	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+2Cl"	69.938804
"1035818"	96.983052	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2Cl"	69.938804
"1247013"	202.946185	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Br"	78.918885
"1307641"	205.002172	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Cl+HCOOH"	80.974872
"1322592"	226.984129	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Cl+NaCOOH"	102.956829
"916567"	237.012886	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M-H+CF3COOH"	112.985586
"1295827"	272.989564	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Cl+CF3COOH"	148.962264
"1372897"	89.014624	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H-2H2O"	-35.012676
"1389298"	107.0246	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H-H2O"	-17.0027
"285703"	249.061876	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+H"	1.007276
"677033"	373.089176	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+H"	1.007276
"1355567"	125.034576	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H"	1.007276
"131739"	125.034576	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+2H"	2.014552
"573853"	187.048226	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+2H"	2.014552
"1047028"	63.020926	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2H"	2.014552
"213471"	83.6921426666667	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+3H"	3.021828
"656312"	125.034576	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+3H"	3.021828
"1164598"	42.3497093333333	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+3H"	3.021828
"432246"	266.088423	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+NH4"	18.033823
"791054"	390.115723	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+NH4"	18.033823
"1686291"	142.061123	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+NH4"	18.033823
"336755"	133.5478495	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+H+NH4"	19.041099
"730272"	195.5614995	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+H+NH4"	19.041099
"1484092"	71.5341995	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H+NH4"	19.041099
"399488"	271.043818	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+Na"	22.989218
"763035"	395.071118	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+Na"	22.989218
"1609675"	147.016518	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Na"	22.989218
"320805"	136.025547	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+H+Na"	23.996494
"711040"	198.039197	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+H+Na"	23.996494
"1462674"	74.011897	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H+Na"	23.996494
"1054824"	49.6770233333333	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2H+Na"	25.00377
"1259786"	157.060786	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+CH3OH+H"	33.033486
"381637"	287.017758	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+K"	38.963158
"740813"	411.045058	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+K"	38.963158
"1546876"	162.990458	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+K"	38.963158
"304057"	144.012517	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+H+K"	39.970434
"706992"	206.026167	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+H+K"	39.970434
"1461080"	81.998867	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H+K"	39.970434
"250448"	290.088426	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+ACN+H"	42.033826
"1225103"	166.061126	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+ACN+H"	42.033826
"1209475"	83.534201	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+ACN+2H"	43.041102
"203804"	293.02576	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+2Na-H"	44.97116
"640324"	417.05306	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+2Na-H"	44.97116
"1145289"	168.99846	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2Na-H"	44.97116
"186392"	147.016518	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+2Na"	45.978436
"626316"	209.030168	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+2Na"	45.978436
"1127268"	85.002868	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2Na"	45.978436
"1407875"	57.0043373333333	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H+2Na"	46.985712
"1438897"	171.040046	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H+HCOOH"	47.012746
"229686"	152.04954	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+3H2O+2H"	56.04448
"1517753"	185.09209	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+IsoProp+H"	61.06479
"410876"	155.003488	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+Na+K"	61.952376
"780623"	217.017138	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+Na+K"	61.952376
"1674767"	92.989838	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Na+K"	61.952376
"263839"	312.070368	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+ACN+Na"	64.015768
"1235819"	188.043068	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+ACN+Na"	64.015768
"1725069"	188.066593	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+NH4+HCOOH"	64.039293
"1192614"	64.3316513333333	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+3Na"	68.967654
"1658127"	193.021988	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Na+HCOOH"	68.994688
"167177"	324.97364	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+2K-H"	76.91904
"605644"	449.00094	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+2K-H"	76.91904
"1096354"	200.94634	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2K-H"	76.91904
"150255"	162.990458	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"2M+2K"	77.926316
"584351"	225.004108	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"3M+2K"	77.926316
"1080888"	100.976808	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2K"	77.926316
"1102070"	202.960892	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2K+H"	78.933592
"1341739"	203.048507	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+DMSO+H"	79.021207
"1013551"	207.087676	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2ACN+H"	83.060376
"1530581"	208.081308	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+IsoProp+Na+H"	84.054008
"992653"	104.047476	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+2ACN+2H"	84.067652
"1591530"	208.995928	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+K+HCOOH"	84.968628
"1414640"	239.027438	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+H+CF3COOH"	115.000138
"1147276"	124.560751	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+3ACN+2H"	125.094202
"1703600"	256.053985	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+NH4+CF3COOH"	132.026685
"1644717"	261.00938	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+Na+CF3COOH"	136.98208
"1582560"	276.98332	"C19915"	"Pyrazinoic acid;2-Pyrazinecarboxylic acid"	"C5H4N2O2"	"124.0273"	"M+K+CF3COOH"	152.95602
"809644"	397.8606	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M"	0
"979897"	378.84221	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-H2O-H"	-19.01839
"67046"	264.233124	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M-3H"	-3.021828
"514264"	396.853324	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M-3H"	-3.021828
"888783"	131.612924	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-3H"	-3.021828
"1892"	396.853324	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M-2H"	-2.014552
"443637"	595.783624	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M-2H"	-2.014552
"821438"	197.923024	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-2H"	-2.014552
"83618"	794.713924	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M-H"	-1.007276
"525365"	1192.574524	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M-H"	-1.007276
"899887"	396.853324	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-H"	-1.007276
"53170"	811.740471	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M-2H+NH4"	16.019271
"494919"	1209.601071	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M-2H+NH4"	16.019271
"872719"	413.879871	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-2H+NH4"	16.019271
"38071"	816.695866	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M-2H+Na"	20.974666
"476907"	1214.556466	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M-2H+Na"	20.974666
"852520"	418.835266	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-2H+Na"	20.974666
"1628619"	418.835266	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Na-2H"	20.974666
"101868"	414.841663	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M-H+Cl"	33.962126
"539241"	613.771963	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M-H+Cl"	33.962126
"930570"	215.911363	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-H+Cl"	33.962126
"274593"	830.690602	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+Cl"	34.969402
"671390"	1228.551202	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+Cl"	34.969402
"1282700"	432.830002	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Cl"	34.969402
"26350"	832.669806	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M-2H+K"	36.948606
"470284"	1230.530406	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M-2H+K"	36.948606
"844805"	434.809206	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-2H+K"	36.948606
"1568296"	434.809206	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+K-2H"	36.948606
"957999"	442.858794	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-H+HCOOH"	44.998194
"375121"	840.719401	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+HCOOH-H"	44.998201
"360463"	854.735051	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+Hac-H"	59.013851
"1505659"	456.874451	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Hac-H"	59.013851
"972466"	464.840751	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-H+NaCOOH"	66.980151
"124900"	432.830002	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+2Cl"	69.938804
"562028"	631.760302	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+2Cl"	69.938804
"1030826"	233.899702	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2Cl"	69.938804
"1244938"	476.779485	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Br"	78.918885
"1304955"	478.835472	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Cl+HCOOH"	80.974872
"1324892"	500.817429	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Cl+NaCOOH"	102.956829
"917043"	510.846186	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M-H+CF3COOH"	112.985586
"1291565"	546.822864	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Cl+CF3COOH"	148.962264
"1371183"	362.847924	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H-2H2O"	-35.012676
"1390502"	380.8579	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H-H2O"	-17.0027
"283992"	796.728476	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+H"	1.007276
"679330"	1194.589076	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+H"	1.007276
"1355677"	398.867876	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H"	1.007276
"130757"	398.867876	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+2H"	2.014552
"574691"	597.798176	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+2H"	2.014552
"1047867"	199.937576	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2H"	2.014552
"213582"	266.247676	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+3H"	3.021828
"656422"	398.867876	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+3H"	3.021828
"1164708"	133.627476	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+3H"	3.021828
"431263"	813.755023	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+NH4"	18.033823
"791163"	1211.615623	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+NH4"	18.033823
"1686401"	415.894423	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+NH4"	18.033823
"336866"	407.3811495	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+H+NH4"	19.041099
"730381"	606.3114495	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+H+NH4"	19.041099
"1484203"	208.4508495	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H+NH4"	19.041099
"400692"	818.710418	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+Na"	22.989218
"761685"	1216.571018	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+Na"	22.989218
"1607598"	420.849818	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Na"	22.989218
"323104"	409.858847	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+H+Na"	23.996494
"714432"	608.789147	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+H+Na"	23.996494
"1464242"	210.928547	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H+Na"	23.996494
"1056031"	140.95479	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2H+Na"	25.00377
"1258804"	430.894086	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+CH3OH+H"	33.033486
"380658"	834.684358	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+K"	38.963158
"741657"	1232.544958	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+K"	38.963158
"1542616"	436.823758	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+K"	38.963158
"303074"	417.845817	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+H+K"	39.970434
"704979"	616.776117	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+H+K"	39.970434
"1459160"	218.915517	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H+K"	39.970434
"249954"	837.755026	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+ACN+H"	42.033826
"1223392"	439.894426	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+ACN+H"	42.033826
"1207639"	220.450851	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+ACN+2H"	43.041102
"201609"	840.69236	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+2Na-H"	44.97116
"640799"	1238.55296	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+2Na-H"	44.97116
"1144304"	442.83176	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2Na-H"	44.97116
"186134"	420.849818	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+2Na"	45.978436
"624235"	619.780118	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+2Na"	45.978436
"1125555"	221.919518	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2Na"	45.978436
"1406892"	148.282104	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H+2Na"	46.985712
"1437914"	444.873346	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H+HCOOH"	47.012746
"226517"	425.88284	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+3H2O+2H"	56.04448
"1514583"	458.92539	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+IsoProp+H"	61.06479
"410989"	428.836788	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+Na+K"	61.952376
"782924"	627.767088	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+Na+K"	61.952376
"1677429"	229.906488	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Na+K"	61.952376
"257024"	859.736968	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+ACN+Na"	64.015768
"1235930"	461.876368	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+ACN+Na"	64.015768
"1720806"	461.899893	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+NH4+HCOOH"	64.039293
"1190534"	155.609418	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+3Na"	68.967654
"1658238"	466.855288	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Na+HCOOH"	68.994688
"161818"	872.64024	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+2K-H"	76.91904
"604661"	1270.50084	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+2K-H"	76.91904
"1091362"	474.77964	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2K-H"	76.91904
"150364"	436.823758	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"2M+2K"	77.926316
"589925"	635.754058	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"3M+2K"	77.926316
"1079904"	237.893458	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2K"	77.926316
"1109834"	476.794192	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2K+H"	78.933592
"1336619"	476.881807	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+DMSO+H"	79.021207
"1018033"	480.920976	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2ACN+H"	83.060376
"1532878"	481.914608	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+IsoProp+Na+H"	84.054008
"993856"	240.964126	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+2ACN+2H"	84.067652
"1588362"	482.829228	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+K+HCOOH"	84.968628
"1414220"	512.860738	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+H+CF3COOH"	115.000138
"1148077"	261.477401	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+3ACN+2H"	125.094202
"1703710"	529.887285	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+NH4+CF3COOH"	132.026685
"1638267"	534.84268	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+Na+CF3COOH"	136.98208
"1572827"	550.81662	"C19916"	"Halomon;6-Bromo-3-(bromomethyl)-7-methyl-237-trichloro-1-octene"	"C10H15Br2Cl3"	"397.8606"	"M+K+CF3COOH"	152.95602
"809754"	555.3131	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M"	0
"980007"	536.29471	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-H2O-H"	-19.01839
"65697"	369.201457333333	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M-3H"	-3.021828
"514374"	554.305824	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M-3H"	-3.021828
"883426"	184.097090666667	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-3H"	-3.021828
"4189"	554.305824	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M-2H"	-2.014552
"442654"	831.962374	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M-2H"	-2.014552
"820818"	276.649274	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-2H"	-2.014552
"83728"	1109.618924	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M-H"	-1.007276
"526568"	1664.932024	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M-H"	-1.007276
"906559"	554.305824	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-H"	-1.007276
"52186"	1126.645471	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M-2H+NH4"	16.019271
"497216"	1681.958571	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M-2H+NH4"	16.019271
"872831"	571.332371	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-2H+NH4"	16.019271
"36359"	1131.600866	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M-2H+Na"	20.974666
"475924"	1686.913966	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M-2H+Na"	20.974666
"852632"	576.287766	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-2H+Na"	20.974666
"1630917"	576.287766	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Na-2H"	20.974666
"105258"	572.294163	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M-H+Cl"	33.962126
"539351"	849.950713	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M-H+Cl"	33.962126
"931773"	294.637613	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-H+Cl"	33.962126
"273610"	1145.595602	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+Cl"	34.969402
"671500"	1700.908702	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+Cl"	34.969402
"1282810"	590.282502	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Cl"	34.969402
"26460"	1147.574806	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M-2H+K"	36.948606
"470033"	1702.887906	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M-2H+K"	36.948606
"844915"	592.261706	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-2H+K"	36.948606
"1569866"	592.261706	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+K-2H"	36.948606
"958194"	600.311294	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-H+HCOOH"	44.998194
"375231"	1155.624401	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+HCOOH-H"	44.998201
"359115"	1169.640051	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+Hac-H"	59.013851
"1504311"	614.326951	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Hac-H"	59.013851
"972942"	622.293251	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-H+NaCOOH"	66.980151
"124401"	590.282502	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+2Cl"	69.938804
"555579"	867.939052	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+2Cl"	69.938804
"1028022"	312.625952	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2Cl"	69.938804
"1245412"	634.231985	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Br"	78.918885
"1305309"	636.287972	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Cl+HCOOH"	80.974872
"1326095"	658.269929	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Cl+NaCOOH"	102.956829
"918247"	668.298686	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M-H+CF3COOH"	112.985586
"1297143"	704.275364	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Cl+CF3COOH"	148.962264
"1374210"	520.300424	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H-2H2O"	-35.012676
"1395715"	538.3104	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H-H2O"	-17.0027
"288112"	1111.633476	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+H"	1.007276
"681627"	1666.946576	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+H"	1.007276
"1355788"	556.320376	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H"	1.007276
"134877"	556.320376	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+2H"	2.014552
"576625"	833.976926	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+2H"	2.014552
"1049800"	278.663826	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2H"	2.014552
"216610"	371.216009333333	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+3H"	3.021828
"658478"	556.320376	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+3H"	3.021828
"1173567"	186.111642666667	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+3H"	3.021828
"431373"	1128.660023	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+NH4"	18.033823
"786900"	1683.973123	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+NH4"	18.033823
"1688699"	573.346923	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+NH4"	18.033823
"335883"	564.8336495	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+H+NH4"	19.041099
"729398"	842.4901995	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+H+NH4"	19.041099
"1488686"	287.1770995	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H+NH4"	19.041099
"405175"	1133.615418	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+Na"	22.989218
"761796"	1688.928518	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+Na"	22.989218
"1608801"	578.302318	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Na"	22.989218
"318841"	567.311347	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+H+Na"	23.996494
"716729"	844.967897	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+H+Na"	23.996494
"1463988"	289.654797	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H+Na"	23.996494
"1054317"	193.438956666667	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2H+Na"	25.00377
"1260369"	588.346586	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+CH3OH+H"	33.033486
"381861"	1149.589358	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+K"	38.963158
"745047"	1704.902458	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+K"	38.963158
"1547100"	594.276258	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+K"	38.963158
"306463"	575.298317	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+H+K"	39.970434
"704719"	852.954867	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+H+K"	39.970434
"1460488"	297.641767	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H+K"	39.970434
"250303"	1152.660026	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+ACN+H"	42.033826
"1223989"	597.346926	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+ACN+H"	42.033826
"1208114"	299.177101	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+ACN+2H"	43.041102
"201719"	1155.59736	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+2Na-H"	44.97116
"641274"	1710.91046	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+2Na-H"	44.97116
"1144050"	600.28426	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2Na-H"	44.97116
"182598"	578.302318	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+2Na"	45.978436
"621065"	855.958868	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+2Na"	45.978436
"1125665"	300.645768	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2Na"	45.978436
"1403721"	200.766270666667	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H+2Na"	46.985712
"1436930"	602.325846	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H+HCOOH"	47.012746
"227720"	583.33534	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+3H2O+2H"	56.04448
"1517973"	616.37789	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+IsoProp+H"	61.06479
"411099"	586.289288	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+Na+K"	61.952376
"779750"	863.945838	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+Na+K"	61.952376
"1674987"	308.632738	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Na+K"	61.952376
"256041"	1174.641968	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+ACN+Na"	64.015768
"1237498"	619.328868	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+ACN+Na"	64.015768
"1722009"	619.352393	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+NH4+HCOOH"	64.039293
"1190644"	208.093584666667	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+3Na"	68.967654
"1657255"	624.307788	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Na+HCOOH"	68.994688
"163021"	1187.54524	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+2K-H"	76.91904
"603677"	1742.85834	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+2K-H"	76.91904
"1088193"	632.23214	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2K-H"	76.91904
"147196"	594.276258	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"2M+2K"	77.926316
"592222"	871.932808	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"3M+2K"	77.926316
"1077828"	316.619708	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2K"	77.926316
"1100467"	634.246692	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2K+H"	78.933592
"1338311"	634.334307	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+DMSO+H"	79.021207
"1010490"	638.373476	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2ACN+H"	83.060376
"1532990"	639.367108	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+IsoProp+Na+H"	84.054008
"998342"	319.690376	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+2ACN+2H"	84.067652
"1588836"	640.281728	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+K+HCOOH"	84.968628
"1415224"	670.313238	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+H+CF3COOH"	115.000138
"1147147"	340.203651	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+3ACN+2H"	125.094202
"1701632"	687.339785	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+NH4+CF3COOH"	132.026685
"1638378"	692.29518	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+Na+CF3COOH"	136.98208
"1571841"	708.26912	"C19917"	"Pateamine;Pateamine A"	"C31H45N3O4S"	"555.3131"	"M+K+CF3COOH"	152.95602
"806586"	426.3862	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"979025"	407.36781	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"63145"	283.250190666667	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"514484"	425.378924	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"886816"	141.121457333333	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"2112"	425.378924	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"441671"	638.572024	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"819835"	212.185824	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"82015"	851.765124	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"522304"	1278.151324	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"905576"	425.378924	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"54483"	868.791671	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"499512"	1295.177871	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"874035"	442.405471	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"39750"	873.747066	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"479314"	1300.133266	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"859304"	447.360866	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1631028"	447.360866	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"105368"	443.367263	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"546022"	656.560363	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"930790"	230.174163	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"277000"	887.741802	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"668330"	1314.128002	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1286200"	461.355602	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"26570"	889.721006	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"469776"	1316.107206	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"841744"	463.334806	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1567421"	463.334806	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"953115"	471.384394	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"372426"	897.770601	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"357402"	911.786251	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1500778"	485.400051	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"973052"	493.366351	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"121234"	461.355602	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"560063"	674.548702	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1032142"	248.162502	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1245886"	505.305085	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1307970"	507.361072	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1326571"	529.343029	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"921638"	539.371786	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1297253"	575.348464	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1378695"	391.373524	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1396554"	409.3835	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"288223"	853.779676	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"681738"	1280.165876	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1354805"	427.393476	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"136444"	427.393476	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"574912"	640.586576	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1049910"	214.200376	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"217812"	285.264742666667	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"658102"	427.393476	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1174771"	143.136009333333	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"432576"	870.806223	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"787010"	1297.192423	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1693183"	444.420023	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"339274"	435.9067495	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"730602"	649.0998495	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1488796"	222.7136495	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"407353"	875.761618	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"761905"	1302.147818	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1607818"	449.375418	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"318948"	438.384447	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"717933"	651.577547	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1463368"	225.191347	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1054063"	150.463323333333	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1262302"	459.419686	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"381972"	891.735558	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"747344"	1318.121758	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1547210"	465.349358	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"307666"	446.371417	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"696808"	659.564517	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1460108"	233.178317	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"250898"	894.806226	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1225191"	468.420026	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1208711"	234.713651	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"200729"	897.74356	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"641750"	1324.12976	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1145253"	471.35736	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"182708"	449.375418	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"622269"	662.568518	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1123588"	236.182318	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1404924"	157.790637333333	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1435947"	473.398946	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"232203"	454.40844	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1516989"	487.45099	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"412303"	457.362388	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"776580"	670.555488	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1672912"	244.169288	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257245"	916.788168	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1236515"	490.401968	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1719933"	490.425493	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1189661"	165.117951333333	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1657367"	495.380888	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"164226"	929.69144	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"601601"	1356.07764	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1088303"	503.30524	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"147306"	465.349358	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"586866"	678.542458	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1071012"	252.156258	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1105682"	505.319792	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1339152"	505.407407	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1010600"	509.446576	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1533100"	510.440208	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"992618"	255.226926	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1590769"	511.354828	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1414969"	541.386338	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1147119"	275.740201	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1698826"	558.412885	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1639580"	563.36828	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1582890"	579.34222	"C19918"	"Parkeol;Lanost-9(11)-en-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"811067"	350.1298	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M"	0
"981322"	331.11141	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-H2O-H"	-19.01839
"63725"	232.412590666667	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M-3H"	-3.021828
"516783"	349.122524	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M-3H"	-3.021828
"893492"	115.702657333333	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-3H"	-3.021828
"6596"	349.122524	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M-2H"	-2.014552
"445061"	524.187424	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M-2H"	-2.014552
"819948"	174.057624	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-2H"	-2.014552
"83949"	699.252324	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M-H"	-1.007276
"524604"	1049.382124	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M-H"	-1.007276
"906781"	349.122524	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-H"	-1.007276
"52409"	716.278871	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M-2H+NH4"	16.019271
"499622"	1066.408671	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M-2H+NH4"	16.019271
"873049"	366.149071	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-2H+NH4"	16.019271
"42775"	721.234266	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M-2H+Na"	20.974666
"480514"	1071.364066	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M-2H+Na"	20.974666
"859414"	371.104466	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-2H+Na"	20.974666
"1632596"	371.104466	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Na-2H"	20.974666
"108758"	367.110863	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M-H+Cl"	33.962126
"546132"	542.175763	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M-H+Cl"	33.962126
"936368"	192.045963	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-H+Cl"	33.962126
"277111"	735.229002	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+Cl"	34.969402
"671720"	1085.358802	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+Cl"	34.969402
"1287649"	385.099202	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Cl"	34.969402
"29960"	737.208206	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M-2H+K"	36.948606
"469886"	1087.338006	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M-2H+K"	36.948606
"844770"	387.078406	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-2H+K"	36.948606
"1567167"	387.078406	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+K-2H"	36.948606
"953225"	395.127994	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-H+HCOOH"	44.998194
"374359"	745.257801	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+HCOOH-H"	44.998201
"356418"	759.273451	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+Hac-H"	59.013851
"1503439"	409.143651	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Hac-H"	59.013851
"972437"	417.109951	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-H+NaCOOH"	66.980151
"122437"	385.099202	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+2Cl"	69.938804
"563819"	560.164102	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+2Cl"	69.938804
"1030065"	210.034302	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2Cl"	69.938804
"1244902"	429.048685	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Br"	78.918885
"1308809"	431.104672	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Cl+HCOOH"	80.974872
"1326317"	453.086629	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Cl+NaCOOH"	102.956829
"921748"	463.115386	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M-H+CF3COOH"	112.985586
"1297363"	499.092064	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Cl+CF3COOH"	148.962264
"1378441"	315.117124	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H-2H2O"	-35.012676
"1397881"	333.1271	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H-H2O"	-17.0027
"288697"	701.266876	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+H"	1.007276
"681848"	1051.396676	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+H"	1.007276
"1358923"	351.137076	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H"	1.007276
"136554"	351.137076	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+2H"	2.014552
"577938"	526.201976	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+2H"	2.014552
"1051479"	176.072176	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2H"	2.014552
"217558"	234.427142666667	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+3H"	3.021828
"658942"	351.137076	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+3H"	3.021828
"1175609"	117.717209333333	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+3H"	3.021828
"430499"	718.293423	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+NH4"	18.033823
"788214"	1068.423223	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+NH4"	18.033823
"1687826"	368.163623	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+NH4"	18.033823
"341571"	359.6503495	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+H+NH4"	19.041099
"729619"	534.7152495	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+H+NH4"	19.041099
"1486720"	184.5854495	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H+NH4"	19.041099
"405032"	723.248818	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+Na"	22.989218
"759829"	1073.378618	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+Na"	22.989218
"1607928"	373.119018	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Na"	22.989218
"319058"	362.128047	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+H+Na"	23.996494
"715857"	537.192947	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+H+Na"	23.996494
"1463116"	187.063147	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H+Na"	23.996494
"1055267"	125.044523333333	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2H+Na"	25.00377
"1263505"	383.163286	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+CH3OH+H"	33.033486
"383176"	739.222758	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+K"	38.963158
"747452"	1089.352558	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+K"	38.963158
"1548413"	389.092958	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+K"	38.963158
"305590"	370.115017	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+H+K"	39.970434
"696918"	545.179917	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+H+K"	39.970434
"1456207"	195.050117	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H+K"	39.970434
"249184"	742.293426	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+ACN+H"	42.033826
"1223960"	392.163626	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+ACN+H"	42.033826
"1209060"	196.585451	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+ACN+2H"	43.041102
"203635"	745.23076	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+2Na-H"	44.97116
"642223"	1095.36056	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+2Na-H"	44.97116
"1144633"	395.10096	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2Na-H"	44.97116
"181725"	373.119018	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+2Na"	45.978436
"621285"	548.183918	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+2Na"	45.978436
"1123698"	198.054118	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2Na"	45.978436
"1405034"	132.371837333333	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H+2Na"	46.985712
"1437150"	397.142546	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H+HCOOH"	47.012746
"232313"	378.15204	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+3H2O+2H"	56.04448
"1519285"	411.19459	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+IsoProp+H"	61.06479
"415692"	381.105988	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+Na+K"	61.952376
"778876"	556.170888	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+Na+K"	61.952376
"1675208"	206.041088	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Na+K"	61.952376
"259541"	764.275368	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+ACN+Na"	64.015768
"1238811"	414.145568	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+ACN+Na"	64.015768
"1725509"	414.169093	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+NH4+HCOOH"	64.039293
"1193050"	139.699151333333	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+3Na"	68.967654
"1660756"	419.124488	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Na+HCOOH"	68.994688
"166522"	777.17864	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+2K-H"	76.91904
"604990"	1127.30844	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+2K-H"	76.91904
"1091694"	427.04884	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2K-H"	76.91904
"148509"	389.092958	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"2M+2K"	77.926316
"586976"	564.157858	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"3M+2K"	77.926316
"1070514"	214.028058	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2K"	77.926316
"1105792"	429.063392	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2K+H"	78.933592
"1340355"	429.151007	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+DMSO+H"	79.021207
"1010710"	433.190176	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2ACN+H"	83.060376
"1534304"	434.183808	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+IsoProp+Na+H"	84.054008
"992728"	217.098726	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+2ACN+2H"	84.067652
"1591243"	435.098428	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+K+HCOOH"	84.968628
"1415201"	465.129938	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+H+CF3COOH"	115.000138
"1147351"	237.612001	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+3ACN+2H"	125.094202
"1699665"	482.156485	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+NH4+CF3COOH"	132.026685
"1639690"	487.11188	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+Na+CF3COOH"	136.98208
"1583000"	503.08582	"C19919"	"Safranin;CI Basic Red 2"	"C20H19N4Cl"	"350.1298"	"M+K+CF3COOH"	152.95602
"810084"	566.4124	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M"	0
"974990"	547.39401	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-H2O-H"	-19.01839
"64204"	376.600990666667	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M-3H"	-3.021828
"513611"	565.405124	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M-3H"	-3.021828
"892871"	187.796857333333	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-3H"	-3.021828
"3426"	565.405124	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M-2H"	-2.014552
"440797"	848.611324	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M-2H"	-2.014552
"817338"	282.198924	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-2H"	-2.014552
"80779"	1131.817524	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M-H"	-1.007276
"522527"	1698.229924	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M-H"	-1.007276
"900330"	565.405124	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-H"	-1.007276
"48145"	1148.844071	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M-2H+NH4"	16.019271
"494265"	1715.256471	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M-2H+NH4"	16.019271
"870973"	582.431671	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-2H+NH4"	16.019271
"37781"	1153.799466	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M-2H+Na"	20.974666
"479530"	1720.211866	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M-2H+Na"	20.974666
"854055"	587.387066	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-2H+Na"	20.974666
"1633071"	587.387066	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Na-2H"	20.974666
"102307"	583.393463	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M-H+Cl"	33.962126
"542962"	866.599663	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M-H+Cl"	33.962126
"931011"	300.187263	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-H+Cl"	33.962126
"277221"	1167.794202	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+Cl"	34.969402
"665269"	1734.206602	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+Cl"	34.969402
"1282046"	601.381802	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Cl"	34.969402
"25697"	1169.773406	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M-2H+K"	36.948606
"467444"	1736.185806	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M-2H+K"	36.948606
"844880"	603.361006	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-2H+K"	36.948606
"1567277"	603.361006	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+K-2H"	36.948606
"952241"	611.410594	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-H+HCOOH"	44.998194
"374469"	1177.823001	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+HCOOH-H"	44.998201
"356528"	1191.838651	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+Hac-H"	59.013851
"1505736"	625.426251	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Hac-H"	59.013851
"972909"	633.392551	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-H+NaCOOH"	66.980151
"122911"	601.381802	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+2Cl"	69.938804
"563928"	884.588002	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+2Cl"	69.938804
"1031268"	318.175602	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2Cl"	69.938804
"1245012"	645.331285	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Br"	78.918885
"1307825"	647.387272	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Cl+HCOOH"	80.974872
"1327520"	669.369229	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Cl+NaCOOH"	102.956829
"919671"	679.397986	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M-H+CF3COOH"	112.985586
"1298566"	715.374664	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Cl+CF3COOH"	148.962264
"1377456"	531.399724	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H-2H2O"	-35.012676
"1390943"	549.4097	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H-H2O"	-17.0027
"289536"	1133.832076	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+H"	1.007276
"681958"	1700.244476	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+H"	1.007276
"1356117"	567.419676	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H"	1.007276
"133384"	567.419676	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+2H"	2.014552
"578048"	850.625876	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+2H"	2.014552
"1050496"	284.213476	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2H"	2.014552
"217668"	378.615542666667	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+3H"	3.021828
"657961"	567.419676	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+3H"	3.021828
"1175356"	189.811409333333	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+3H"	3.021828
"430610"	1150.858623	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+NH4"	18.033823
"789418"	1717.271023	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+NH4"	18.033823
"1687936"	584.446223	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+NH4"	18.033823
"339495"	575.9329495	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+H+NH4"	19.041099
"731914"	859.1391495	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+H+NH4"	19.041099
"1487922"	292.7267495	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H+NH4"	19.041099
"402226"	1155.814018	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+Na"	22.989218
"757753"	1722.226418	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+Na"	22.989218
"1611317"	589.401618	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Na"	22.989218
"321354"	578.410647	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+H+Na"	23.996494
"714874"	861.616847	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+H+Na"	23.996494
"1462251"	295.204447	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H+Na"	23.996494
"1053310"	197.138723333333	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2H+Na"	25.00377
"1261429"	599.445886	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+CH3OH+H"	33.033486
"381099"	1171.787958	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+K"	38.963158
"745375"	1738.200358	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+K"	38.963158
"1547429"	605.375558	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+K"	38.963158
"306793"	586.397617	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+H+K"	39.970434
"697028"	869.603817	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+H+K"	39.970434
"1456317"	303.191417	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H+K"	39.970434
"247107"	1174.858626	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+ACN+H"	42.033826
"1222003"	608.446226	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+ACN+H"	42.033826
"1208803"	304.726751	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+ACN+2H"	43.041102
"202407"	1177.79596	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+2Na-H"	44.97116
"641968"	1744.20836	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+2Na-H"	44.97116
"1144014"	611.38356	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2Na-H"	44.97116
"183293"	589.401618	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+2Na"	45.978436
"620302"	872.607818	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+2Na"	45.978436
"1121621"	306.195418	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2Na"	45.978436
"1401864"	204.466037333333	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H+2Na"	46.985712
"1435803"	613.425146	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H+HCOOH"	47.012746
"232059"	594.43464	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+3H2O+2H"	56.04448
"1515020"	627.47719	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+IsoProp+H"	61.06479
"415802"	597.388588	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+Na+K"	61.952376
"781171"	880.594788	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+Na+K"	61.952376
"1675318"	314.182388	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Na+K"	61.952376
"259651"	1196.840568	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+ACN+Na"	64.015768
"1233454"	630.428168	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+ACN+Na"	64.015768
"1720152"	630.451693	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+NH4+HCOOH"	64.039293
"1188785"	211.793351333333	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+3Na"	68.967654
"1657586"	635.407088	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Na+HCOOH"	68.994688
"165538"	1209.74384	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+2K-H"	76.91904
"601818"	1776.15624	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+2K-H"	76.91904
"1087065"	643.33144	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2K-H"	76.91904
"144610"	605.375558	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"2M+2K"	77.926316
"584166"	888.581758	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"3M+2K"	77.926316
"1071961"	322.169358	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2K"	77.926316
"1104080"	645.345992	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2K+H"	78.933592
"1340100"	645.433607	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+DMSO+H"	79.021207
"1010820"	649.472776	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2ACN+H"	83.060376
"1534414"	650.466408	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+IsoProp+Na+H"	84.054008
"991745"	325.240026	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+2ACN+2H"	84.067652
"1588801"	651.381028	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+K+HCOOH"	84.968628
"1415190"	681.412538	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+H+CF3COOH"	115.000138
"1147424"	345.753301	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+3ACN+2H"	125.094202
"1699775"	698.439085	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+NH4+CF3COOH"	132.026685
"1639800"	703.39448	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+Na+CF3COOH"	136.98208
"1583110"	719.36842	"C19920"	"Diatoxanthin;all-trans-Diatoxanthin"	"C40H54O2"	"566.4124"	"M+K+CF3COOH"	152.95602
"810194"	582.4073	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M"	0
"974979"	563.38891	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-H2O-H"	-19.01839
"65407"	387.264257333333	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M-3H"	-3.021828
"513721"	581.400024	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M-3H"	-3.021828
"892252"	193.128490666667	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-3H"	-3.021828
"1349"	581.400024	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M-2H"	-2.014552
"444188"	872.603674	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M-2H"	-2.014552
"818949"	290.196374	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-2H"	-2.014552
"80885"	1163.807324	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M-H"	-1.007276
"520450"	1746.214624	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M-H"	-1.007276
"897159"	581.400024	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-H"	-1.007276
"58096"	1180.833871	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M-2H+NH4"	16.019271
"494376"	1763.241171	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M-2H+NH4"	16.019271
"871084"	598.426571	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-2H+NH4"	16.019271
"38986"	1185.789266	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M-2H+Na"	20.974666
"477456"	1768.196566	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M-2H+Na"	20.974666
"862185"	603.381966	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-2H+Na"	20.974666
"1625888"	603.381966	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Na-2H"	20.974666
"100230"	599.388363	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M-H+Cl"	33.962126
"543072"	890.592013	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M-H+Cl"	33.962126
"931485"	308.184713	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-H+Cl"	33.962126
"274051"	1199.784002	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+Cl"	34.969402
"665379"	1782.191302	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+Cl"	34.969402
"1285437"	617.376702	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Cl"	34.969402
"23621"	1201.763206	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M-2H+K"	36.948606
"469377"	1784.170506	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M-2H+K"	36.948606
"844626"	619.355906	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-2H+K"	36.948606
"1568115"	619.355906	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+K-2H"	36.948606
"953080"	627.405494	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-H+HCOOH"	44.998194
"371660"	1209.812801	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+HCOOH-H"	44.998201
"357367"	1223.828451	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+Hac-H"	59.013851
"1505478"	641.421151	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Hac-H"	59.013851
"972289"	649.387451	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-H+NaCOOH"	66.980151
"121924"	617.376702	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+2Cl"	69.938804
"562579"	908.580352	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+2Cl"	69.938804
"1032471"	326.173052	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2Cl"	69.938804
"1245123"	661.326185	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Br"	78.918885
"1308300"	663.382172	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Cl+HCOOH"	80.974872
"1328723"	685.364129	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Cl+NaCOOH"	102.956829
"918687"	695.392886	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M-H+CF3COOH"	112.985586
"1295396"	731.369564	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Cl+CF3COOH"	148.962264
"1374650"	547.394624	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H-2H2O"	-35.012676
"1391052"	565.4046	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H-H2O"	-17.0027
"287458"	1165.821876	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+H"	1.007276
"682068"	1748.229176	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+H"	1.007276
"1355134"	583.414576	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H"	1.007276
"138962"	583.414576	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+2H"	2.014552
"576336"	874.618226	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+2H"	2.014552
"1051702"	292.210926	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2H"	2.014552
"218144"	389.278809333333	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+3H"	3.021828
"659284"	583.414576	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+3H"	3.021828
"1172914"	195.143042666667	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+3H"	3.021828
"429624"	1182.848423	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+NH4"	18.033823
"791715"	1765.255723	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+NH4"	18.033823
"1686952"	600.441123	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+NH4"	18.033823
"340698"	591.9278495	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+H+NH4"	19.041099
"730932"	883.1314995	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+H+NH4"	19.041099
"1485844"	300.7241995	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H+NH4"	19.041099
"397963"	1187.803818	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+Na"	22.989218
"758955"	1770.211118	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+Na"	22.989218
"1610336"	605.396518	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Na"	22.989218
"321463"	594.405547	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+H+Na"	23.996494
"714984"	885.609197	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+H+Na"	23.996494
"1462242"	303.201897	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H+Na"	23.996494
"1053339"	202.470356666667	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2H+Na"	25.00377
"1261540"	615.440786	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+CH3OH+H"	33.033486
"380116"	1203.777758	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+K"	38.963158
"747673"	1786.185058	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+K"	38.963158
"1546446"	621.370458	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+K"	38.963158
"305810"	602.392517	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+H+K"	39.970434
"700418"	893.596167	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+H+K"	39.970434
"1457522"	311.188867	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H+K"	39.970434
"247217"	1206.848426	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+ACN+H"	42.033826
"1223211"	624.441126	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+ACN+H"	42.033826
"1207090"	312.724201	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+ACN+2H"	43.041102
"201425"	1209.78576	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+2Na-H"	44.97116
"641350"	1792.19306	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+2Na-H"	44.97116
"1142303"	627.37846	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2Na-H"	44.97116
"184133"	605.396518	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+2Na"	45.978436
"624058"	896.600168	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+2Na"	45.978436
"1123187"	314.192868	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2Na"	45.978436
"1404891"	209.797670666667	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H+2Na"	46.985712
"1437371"	629.420046	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H+HCOOH"	47.012746
"231805"	610.42954	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+3H2O+2H"	56.04448
"1512940"	643.47209	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+IsoProp+H"	61.06479
"415912"	613.383488	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+Na+K"	61.952376
"779094"	904.587138	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+Na+K"	61.952376
"1676520"	322.179838	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Na+K"	61.952376
"260854"	1228.830368	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+ACN+Na"	64.015768
"1234657"	646.423068	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+ACN+Na"	64.015768
"1723542"	646.446593	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+NH4+HCOOH"	64.039293
"1193960"	217.124984666667	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+3Na"	68.967654
"1660976"	651.401988	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Na+HCOOH"	68.994688
"167836"	1241.73364	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+2K-H"	76.91904
"603025"	1824.14094	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+2K-H"	76.91904
"1089728"	659.32634	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2K-H"	76.91904
"144718"	621.370458	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"2M+2K"	77.926316
"583551"	912.574108	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"3M+2K"	77.926316
"1070615"	330.166808	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2K"	77.926316
"1103097"	661.340892	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2K+H"	78.933592
"1341306"	661.428507	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+DMSO+H"	79.021207
"1014211"	665.467676	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2ACN+H"	83.060376
"1534524"	666.461308	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+IsoProp+Na+H"	84.054008
"997689"	333.237476	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+2ACN+2H"	84.067652
"1593286"	667.375928	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+K+HCOOH"	84.968628
"1416393"	697.407438	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+H+CF3COOH"	115.000138
"1150329"	353.750751	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+3ACN+2H"	125.094202
"1697135"	714.433985	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+NH4+CF3COOH"	132.026685
"1636630"	719.38938	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+Na+CF3COOH"	136.98208
"1583220"	735.36332	"C19921"	"Diadinoxanthin;Diadinoxanthin A"	"C40H54O3"	"582.4073"	"M+K+CF3COOH"	152.95602
"801516"	738.0441	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M"	0
"987124"	719.02571	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-H2O-H"	-19.01839
"65527"	491.022124	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M-3H"	-3.021828
"507272"	737.036824	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M-3H"	-3.021828
"883978"	245.007424	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-3H"	-3.021828
"1459"	737.036824	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M-2H"	-2.014552
"443205"	1106.058874	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M-2H"	-2.014552
"819913"	368.014774	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-2H"	-2.014552
"80270"	1475.080924	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M-H"	-1.007276
"521655"	2213.125024	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M-H"	-1.007276
"897271"	737.036824	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-H"	-1.007276
"54926"	1492.107471	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M-2H+NH4"	16.019271
"489019"	2230.151571	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M-2H+NH4"	16.019271
"865730"	754.063371	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-2H+NH4"	16.019271
"34724"	1497.062866	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M-2H+Na"	20.974666
"473195"	2235.106966	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M-2H+Na"	20.974666
"853184"	759.018766	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-2H+Na"	20.974666
"1622716"	759.018766	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Na-2H"	20.974666
"96333"	755.025163	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M-H+Cl"	33.962126
"537717"	1124.047213	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M-H+Cl"	33.962126
"929045"	386.003113	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-H+Cl"	33.962126
"277079"	1511.057602	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+Cl"	34.969402
"665491"	2249.101702	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+Cl"	34.969402
"1281173"	773.013502	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Cl"	34.969402
"16357"	1513.036806	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M-2H+K"	36.948606
"456238"	2251.080906	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M-2H+K"	36.948606
"838904"	774.992706	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-2H+K"	36.948606
"1562393"	774.992706	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+K-2H"	36.948606
"948455"	783.042294	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-H+HCOOH"	44.998194
"364120"	1521.086401	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+HCOOH-H"	44.998201
"351284"	1535.102051	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+Hac-H"	59.013851
"1497565"	797.057951	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Hac-H"	59.013851
"964747"	805.024251	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-H+NaCOOH"	66.980151
"112559"	773.013502	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+2Cl"	69.938804
"554307"	1142.035552	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+2Cl"	69.938804
"1030405"	403.991452	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2Cl"	69.938804
"1246334"	816.962985	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Br"	78.918885
"1306594"	819.018972	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Cl+HCOOH"	80.974872
"1324089"	841.000929	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Cl+NaCOOH"	102.956829
"917338"	851.029686	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M-H+CF3COOH"	112.985586
"1291859"	887.006364	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Cl+CF3COOH"	148.962264
"1371843"	703.031424	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H-2H2O"	-35.012676
"1388247"	721.0414	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H-H2O"	-17.0027
"287566"	1477.095476	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+H"	1.007276
"683270"	2215.139576	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+H"	1.007276
"1361807"	739.051376	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H"	1.007276
"134700"	739.051376	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+2H"	2.014552
"574261"	1108.073426	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+2H"	2.014552
"1044155"	370.029326	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2H"	2.014552
"213149"	493.036676	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+3H"	3.021828
"653801"	739.051376	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+3H"	3.021828
"1175208"	247.021976	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+3H"	3.021828
"428642"	1494.122023	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+NH4"	18.033823
"786356"	2232.166123	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+NH4"	18.033823
"1683780"	756.077923	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+NH4"	18.033823
"337521"	747.5646495	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+H+NH4"	19.041099
"728851"	1116.5866995	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+H+NH4"	19.041099
"1482669"	378.5425995	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H+NH4"	19.041099
"399161"	1499.077418	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+Na"	22.989218
"755419"	2237.121518	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+Na"	22.989218
"1606075"	761.033318	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Na"	22.989218
"315256"	750.042347	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+H+Na"	23.996494
"708167"	1119.064397	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+H+Na"	23.996494
"1462715"	381.020297	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H+Na"	23.996494
"1056685"	254.34929	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2H+Na"	25.00377
"1258368"	771.077586	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+CH3OH+H"	33.033486
"383510"	1515.051358	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+K"	38.963158
"749972"	2253.095458	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+K"	38.963158
"1552027"	777.007258	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+K"	38.963158
"307015"	758.029317	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+H+K"	39.970434
"704907"	1127.051367	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+H+K"	39.970434
"1459458"	389.007267	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H+K"	39.970434
"247330"	1518.122026	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+ACN+H"	42.033826
"1224047"	780.077926	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+ACN+H"	42.033826
"1206104"	390.542601	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+ACN+2H"	43.041102
"201892"	1521.05936	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+2Na-H"	44.97116
"638538"	2259.10346	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+2Na-H"	44.97116
"1144232"	783.01526	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2Na-H"	44.97116
"182783"	761.033318	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+2Na"	45.978436
"620885"	1130.055368	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+2Na"	45.978436
"1125850"	392.011268	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2Na"	45.978436
"1402086"	261.676604	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H+2Na"	46.985712
"1442955"	785.056846	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H+HCOOH"	47.012746
"230100"	766.06634	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+3H2O+2H"	56.04448
"1516337"	799.10889	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+IsoProp+H"	61.06479
"417116"	769.020288	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+Na+K"	61.952376
"780301"	1138.042338	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+Na+K"	61.952376
"1675536"	399.998238	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Na+K"	61.952376
"258779"	1540.103968	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+ACN+Na"	64.015768
"1236226"	802.059868	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+ACN+Na"	64.015768
"1726814"	802.083393	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+NH4+HCOOH"	64.039293
"1187911"	269.003918	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+3Na"	68.967654
"1658899"	807.038788	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Na+HCOOH"	68.994688
"164672"	1553.00724	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+2K-H"	76.91904
"602044"	2291.05134	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+2K-H"	76.91904
"1089837"	814.96314	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2K-H"	76.91904
"153215"	777.007258	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"2M+2K"	77.926316
"596546"	1146.029308	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"3M+2K"	77.926316
"1083124"	407.985208	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2K"	77.926316
"1108312"	816.977692	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2K+H"	78.933592
"1339593"	817.065307	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+DMSO+H"	79.021207
"1013225"	821.104476	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2ACN+H"	83.060376
"1530263"	822.098108	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+IsoProp+Na+H"	84.054008
"995620"	411.055876	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+2ACN+2H"	84.067652
"1593404"	823.012728	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+K+HCOOH"	84.968628
"1422344"	853.044238	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+H+CF3COOH"	115.000138
"1151543"	431.569151	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+3ACN+2H"	125.094202
"1701094"	870.070785	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+NH4+CF3COOH"	132.026685
"1642213"	875.02618	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+Na+CF3COOH"	136.98208
"1580056"	891.00012	"C19928"	"Molybdopterin guanine dinucleotide"	"C20H24N10O13P2S2"	"738.0441"	"M+K+CF3COOH"	152.95602
"806045"	160.0848	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M"	0
"979577"	141.06641	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-H2O-H"	-19.01839
"67824"	105.715924	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M-3H"	-3.021828
"510662"	159.077524	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M-3H"	-3.021828
"887370"	52.354324	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-3H"	-3.021828
"2664"	159.077524	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M-2H"	-2.014552
"441005"	239.119924	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M-2H"	-2.014552
"820387"	79.035124	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-2H"	-2.014552
"82202"	319.162324	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M-H"	-1.007276
"521032"	479.247124	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M-H"	-1.007276
"900662"	159.077524	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-H"	-1.007276
"48476"	336.188871	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M-2H+NH4"	16.019271
"490223"	496.273671	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M-2H+NH4"	16.019271
"865959"	176.104071	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-2H+NH4"	16.019271
"34834"	341.144266	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M-2H+Na"	20.974666
"474398"	501.229066	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M-2H+Na"	20.974666
"852201"	181.059466	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-2H+Na"	20.974666
"1620640"	181.059466	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Na-2H"	20.974666
"103735"	177.065863	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M-H+Cl"	33.962126
"537827"	257.108263	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M-H+Cl"	33.962126
"933530"	97.023463	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-H+Cl"	33.962126
"276097"	355.139002	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+Cl"	34.969402
"667788"	515.223802	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+Cl"	34.969402
"1279096"	195.054202	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Cl"	34.969402
"19466"	357.118206	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M-2H+K"	36.948606
"456472"	517.203006	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M-2H+K"	36.948606
"842294"	197.033406	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-2H+K"	36.948606
"1562503"	197.033406	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+K-2H"	36.948606
"950024"	205.082994	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-H+HCOOH"	44.998194
"367876"	365.167801	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+HCOOH-H"	44.998201
"352123"	379.183451	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+Hac-H"	59.013851
"1498039"	219.098651	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Hac-H"	59.013851
"964857"	227.064951	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-H+NaCOOH"	66.980151
"114126"	195.054202	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+2Cl"	69.938804
"555510"	275.096602	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+2Cl"	69.938804
"1031608"	115.011802	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2Cl"	69.938804
"1246813"	239.003685	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Br"	78.918885
"1311448"	241.059672	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Cl+HCOOH"	80.974872
"1326025"	263.041629	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Cl+NaCOOH"	102.956829
"916720"	273.070386	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M-H+CF3COOH"	112.985586
"1294156"	309.047064	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Cl+CF3COOH"	148.962264
"1369766"	125.072124	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H-2H2O"	-35.012676
"1387993"	143.0821	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H-H2O"	-17.0027
"292053"	321.176876	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+H"	1.007276
"688484"	481.261676	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+H"	1.007276
"1358637"	161.092076	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H"	1.007276
"136999"	161.092076	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+2H"	2.014552
"577653"	241.134476	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+2H"	2.014552
"1046451"	81.049676	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2H"	2.014552
"213260"	107.730476	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+3H"	3.021828
"651726"	161.092076	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+3H"	3.021828
"1173133"	54.368876	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+3H"	3.021828
"425345"	338.203423	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+NH4"	18.033823
"789017"	498.288223	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+NH4"	18.033823
"1683522"	178.118623	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+NH4"	18.033823
"337633"	169.6053495	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+H+NH4"	19.041099
"730057"	249.6477495	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+H+NH4"	19.041099
"1479501"	89.5629495	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H+NH4"	19.041099
"399272"	343.158818	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+Na"	22.989218
"756987"	503.243618	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+Na"	22.989218
"1605091"	183.074018	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Na"	22.989218
"318410"	172.083047	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+H+Na"	23.996494
"711924"	252.125447	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+H+Na"	23.996494
"1462581"	92.040647	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H+Na"	23.996494
"1054611"	61.69619	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2H+Na"	25.00377
"1260667"	193.118286	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+CH3OH+H"	33.033486
"383620"	359.132758	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+K"	38.963158
"746803"	519.217558	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+K"	38.963158
"1552137"	199.047958	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+K"	38.963158
"308218"	180.070017	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+H+K"	39.970434
"700643"	260.112417	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+H+K"	39.970434
"1456651"	100.027617	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H+K"	39.970434
"245254"	362.203426	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+ACN+H"	42.033826
"1220148"	202.118626	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+ACN+H"	42.033826
"1204025"	101.562951	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+ACN+2H"	43.041102
"196899"	365.14076	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+2Na-H"	44.97116
"637555"	525.22556	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+2Na-H"	44.97116
"1143976"	205.05596	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2Na-H"	44.97116
"183257"	183.074018	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+2Na"	45.978436
"622815"	263.116418	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+2Na"	45.978436
"1129242"	103.031618	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2Na"	45.978436
"1401103"	69.023504	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H+2Na"	46.985712
"1442336"	207.097546	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H+HCOOH"	47.012746
"227294"	188.10704	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+3H2O+2H"	56.04448
"1517542"	221.14959	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+IsoProp+H"	61.06479
"416863"	191.060988	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+Na+K"	61.952376
"780412"	271.103388	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+Na+K"	61.952376
"1674921"	111.018588	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Na+K"	61.952376
"263629"	384.185368	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+ACN+Na"	64.015768
"1231963"	224.100568	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+ACN+Na"	64.015768
"1721214"	224.124093	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+NH4+HCOOH"	64.039293
"1185835"	76.350818	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+3Na"	68.967654
"1657916"	229.079488	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Na+HCOOH"	68.994688
"162595"	397.08864	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+2K-H"	76.91904
"602155"	557.17344	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+2K-H"	76.91904
"1089947"	237.00384	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2K-H"	76.91904
"154419"	199.047958	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"2M+2K"	77.926316
"596455"	279.090358	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"3M+2K"	77.926316
"1083802"	119.005558	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2K"	77.926316
"1108422"	239.018392	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2K+H"	78.933592
"1340432"	239.106007	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+DMSO+H"	79.021207
"1012242"	243.145176	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2ACN+H"	83.060376
"1530373"	244.138808	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+IsoProp+Na+H"	84.054008
"997917"	122.076226	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+2ACN+2H"	84.067652
"1593513"	245.053428	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+K+HCOOH"	84.968628
"1423547"	275.084938	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+H+CF3COOH"	115.000138
"1157121"	142.589501	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+3ACN+2H"	125.094202
"1704487"	292.111485	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+NH4+CF3COOH"	132.026685
"1642323"	297.06688	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+Na+CF3COOH"	136.98208
"1580166"	313.04082	"C19929"	"N-alpha-Acetyl-L-24-diaminobutyrate"	"C6H12N2O3"	"160.0848"	"M+K+CF3COOH"	152.95602
"803969"	222.048	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M"	0
"987344"	203.02961	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-H2O-H"	-19.01839
"66110"	147.024724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M-3H"	-3.021828
"504575"	221.040724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M-3H"	-3.021828
"881283"	73.008724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-3H"	-3.021828
"1680"	221.040724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M-2H"	-2.014552
"440141"	332.064724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M-2H"	-2.014552
"820136"	110.016724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-2H"	-2.014552
"83410"	443.088724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M-H"	-1.007276
"519691"	665.136724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M-H"	-1.007276
"896395"	221.040724	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-H"	-1.007276
"49674"	460.115271	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M-2H+NH4"	16.019271
"489240"	682.163271	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M-2H+NH4"	16.019271
"864975"	238.067271	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-2H+NH4"	16.019271
"32393"	465.070666	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M-2H+Na"	20.974666
"481071"	687.118666	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M-2H+Na"	20.974666
"855593"	243.022666	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-2H+Na"	20.974666
"1622941"	243.022666	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Na-2H"	20.974666
"102752"	239.029063	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M-H+Cl"	33.962126
"535016"	350.053063	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M-H+Cl"	33.962126
"927436"	128.005063	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-H+Cl"	33.962126
"267696"	479.065402	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+Cl"	34.969402
"660598"	701.113402	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+Cl"	34.969402
"1273036"	257.017402	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Cl"	34.969402
"16537"	481.044606	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M-2H+K"	36.948606
"456460"	703.092606	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M-2H+K"	36.948606
"840217"	258.996606	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-2H+K"	36.948606
"1559332"	258.996606	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+K-2H"	36.948606
"945029"	267.046194	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-H+HCOOH"	44.998194
"364703"	489.094201	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+HCOOH-H"	44.998201
"348951"	503.109851	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+Hac-H"	59.013851
"1496689"	281.061851	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Hac-H"	59.013851
"960951"	289.028151	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-H+NaCOOH"	66.980151
"114236"	257.017402	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+2Cl"	69.938804
"551985"	368.041402	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+2Cl"	69.938804
"1024427"	145.993402	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2Cl"	69.938804
"1248015"	300.966885	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Br"	78.918885
"1308275"	303.022872	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Cl+HCOOH"	80.974872
"1325771"	325.004829	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Cl+NaCOOH"	102.956829
"914642"	335.033586	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M-H+CF3COOH"	112.985586
"1292077"	371.010264	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Cl+CF3COOH"	148.962264
"1369878"	187.035324	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H-2H2O"	-35.012676
"1385916"	205.0453	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H-H2O"	-17.0027
"286698"	445.103276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+H"	1.007276
"680213"	667.151276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+H"	1.007276
"1364219"	223.055276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H"	1.007276
"139296"	223.055276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+2H"	2.014552
"575576"	334.079276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+2H"	2.014552
"1045469"	112.031276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2H"	2.014552
"214462"	149.039276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+3H"	3.021828
"654023"	223.055276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+3H"	3.021828
"1174336"	75.023276	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+3H"	3.021828
"431048"	462.129823	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+NH4"	18.033823
"789857"	684.177823	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+NH4"	18.033823
"1689468"	240.081823	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+NH4"	18.033823
"334828"	231.5685495	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+H+NH4"	19.041099
"727981"	342.5925495	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+H+NH4"	19.041099
"1479614"	120.5445495	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H+NH4"	19.041099
"397202"	467.085218	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+Na"	22.989218
"757468"	689.133218	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+Na"	22.989218
"1603618"	245.037218	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Na"	22.989218
"315354"	234.046247	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+H+Na"	23.996494
"710942"	345.070247	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+H+Na"	23.996494
"1463663"	123.022247	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H+Na"	23.996494
"1053993"	82.35059	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2H+Na"	25.00377
"1260048"	255.081486	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+CH3OH+H"	33.033486
"381542"	483.059158	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+K"	38.963158
"746913"	705.107158	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+K"	38.963158
"1543496"	261.011158	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+K"	38.963158
"307234"	242.033217	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+H+K"	39.970434
"701846"	353.057217	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+H+K"	39.970434
"1457854"	131.009217	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H+K"	39.970434
"247550"	486.129826	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+ACN+H"	42.033826
"1223539"	264.081826	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+ACN+H"	42.033826
"1203045"	132.544551	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+ACN+2H"	43.041102
"195917"	489.06716	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+2Na-H"	44.97116
"635477"	711.11516	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+2Na-H"	44.97116
"1141171"	267.01916	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2Na-H"	44.97116
"181179"	245.037218	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+2Na"	45.978436
"622925"	356.061218	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+2Na"	45.978436
"1125339"	134.013218	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2Na"	45.978436
"1411788"	89.677904	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H+2Na"	46.985712
"1442082"	269.060746	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H+HCOOH"	47.012746
"233965"	250.07024	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+3H2O+2H"	56.04448
"1519840"	283.11279	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+IsoProp+H"	61.06479
"415152"	253.024188	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+Na+K"	61.952376
"778334"	364.048188	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+Na+K"	61.952376
"1674663"	142.000188	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Na+K"	61.952376
"261549"	508.111768	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+ACN+Na"	64.015768
"1239362"	286.063768	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+ACN+Na"	64.015768
"1723506"	286.087293	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+NH4+HCOOH"	64.039293
"1185945"	97.005218	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+3Na"	68.967654
"1660213"	291.042688	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Na+HCOOH"	68.994688
"165985"	521.01504	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+2K-H"	76.91904
"605544"	743.06304	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+2K-H"	76.91904
"1095525"	298.96704	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2K-H"	76.91904
"154528"	261.011158	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"2M+2K"	77.926316
"596524"	372.035158	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"3M+2K"	77.926316
"1076414"	149.987158	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2K"	77.926316
"1106345"	300.981592	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2K+H"	78.933592
"1339450"	301.069207	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+DMSO+H"	79.021207
"1018912"	305.108376	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2ACN+H"	83.060376
"1529390"	306.102008	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+IsoProp+Na+H"	84.054008
"998027"	153.057826	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+2ACN+2H"	84.067652
"1592530"	307.016628	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+K+HCOOH"	84.968628
"1417098"	337.048138	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+H+CF3COOH"	115.000138
"1152856"	173.571101	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+3ACN+2H"	125.094202
"1701314"	354.074685	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+NH4+CF3COOH"	132.026685
"1647901"	359.03008	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+Na+CF3COOH"	136.98208
"1580276"	375.00402	"C19930"	"tert-Butylbicyclophosphorothionate;tert-Butylbicyclophosphorothioic acid;TBPS"	"C8H15O3PS"	"222.048"	"M+K+CF3COOH"	152.95602
"816602"	352.1787	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M"	0
"989120"	333.16031	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-H2O-H"	-19.01839
"73514"	233.778524	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M-3H"	-3.021828
"507604"	351.171424	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M-3H"	-3.021828
"888685"	116.385624	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-3H"	-3.021828
"3979"	351.171424	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M-2H"	-2.014552
"447913"	527.260774	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M-2H"	-2.014552
"821341"	175.082074	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-2H"	-2.014552
"80239"	703.350124	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M-H"	-1.007276
"524176"	1055.528824	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M-H"	-1.007276
"897605"	351.171424	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-H"	-1.007276
"50888"	720.376671	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M-2H+NH4"	16.019271
"490449"	1072.555371	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M-2H+NH4"	16.019271
"870437"	368.197971	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-2H+NH4"	16.019271
"37246"	725.332066	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M-2H+Na"	20.974666
"481181"	1077.510766	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M-2H+Na"	20.974666
"855703"	373.153366	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-2H+Na"	20.974666
"1623051"	373.153366	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Na-2H"	20.974666
"106510"	369.159763	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M-H+Cl"	33.962126
"542420"	545.249113	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M-H+Cl"	33.962126
"928278"	193.070413	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-H+Cl"	33.962126
"267929"	739.326802	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+Cl"	34.969402
"660509"	1091.505502	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+Cl"	34.969402
"1273967"	387.148102	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Cl"	34.969402
"16890"	741.306006	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M-2H+K"	36.948606
"456084"	1093.484706	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M-2H+K"	36.948606
"837047"	389.127306	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-2H+K"	36.948606
"1558349"	389.127306	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+K-2H"	36.948606
"944046"	397.176894	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-H+HCOOH"	44.998194
"366638"	749.355601	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+HCOOH-H"	44.998201
"349791"	763.371251	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+Hac-H"	59.013851
"1497893"	411.192551	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Hac-H"	59.013851
"960332"	419.158851	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-H+NaCOOH"	66.980151
"115806"	387.148102	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+2Cl"	69.938804
"553189"	563.237452	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+2Cl"	69.938804
"1026361"	211.058752	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2Cl"	69.938804
"1249218"	431.097585	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Br"	78.918885
"1309478"	433.153572	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Cl+HCOOH"	80.974872
"1324791"	455.135529	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Cl+NaCOOH"	102.956829
"914753"	465.164286	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M-H+CF3COOH"	112.985586
"1291459"	501.140964	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Cl+CF3COOH"	148.962264
"1369624"	317.166024	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H-2H2O"	-35.012676
"1386026"	335.176	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H-H2O"	-17.0027
"287902"	705.364676	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+H"	1.007276
"684697"	1057.543376	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+H"	1.007276
"1363237"	353.185976	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H"	1.007276
"137219"	353.185976	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+2H"	2.014552
"569125"	529.275326	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+2H"	2.014552
"1047401"	177.096626	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2H"	2.014552
"217487"	235.793076	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+3H"	3.021828
"657777"	353.185976	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+3H"	3.021828
"1173715"	118.400176	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+3H"	3.021828
"432254"	722.391223	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+NH4"	18.033823
"794343"	1074.569923	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+NH4"	18.033823
"1689578"	370.212523	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+NH4"	18.033823
"336763"	361.6992495	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+H+NH4"	19.041099
"729186"	537.7885995	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+H+NH4"	19.041099
"1481182"	185.6098995	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H+NH4"	19.041099
"396583"	727.346618	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+Na"	22.989218
"755026"	1079.525318	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+Na"	22.989218
"1605677"	375.167918	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Na"	22.989218
"314658"	364.176947	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+H+Na"	23.996494
"708861"	540.266297	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+H+Na"	23.996494
"1462681"	188.087597	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H+Na"	23.996494
"1054104"	125.72749	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2H+Na"	25.00377
"1259793"	385.212186	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+CH3OH+H"	33.033486
"384929"	743.320558	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+K"	38.963158
"748114"	1095.499258	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+K"	38.963158
"1544701"	391.141858	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+K"	38.963158
"310626"	372.163917	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+H+K"	39.970434
"700860"	548.253267	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+H+K"	39.970434
"1451402"	196.074567	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H+K"	39.970434
"245471"	746.391226	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+ACN+H"	42.033826
"1220368"	394.212526	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+ACN+H"	42.033826
"1203154"	197.609901	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+ACN+2H"	43.041102
"192747"	749.32856	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+2Na-H"	44.97116
"634492"	1101.50726	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+2Na-H"	44.97116
"1136906"	397.14986	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2Na-H"	44.97116
"179102"	375.167918	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+2Na"	45.978436
"617569"	551.257268	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+2Na"	45.978436
"1123262"	199.078568	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2Na"	45.978436
"1411779"	133.054804	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H+2Na"	46.985712
"1442559"	399.191446	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H+HCOOH"	47.012746
"233710"	380.20094	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+3H2O+2H"	56.04448
"1521409"	413.24349	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+IsoProp+H"	61.06479
"420730"	383.154888	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+Na+K"	61.952376
"779538"	559.244238	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+Na+K"	61.952376
"1673682"	207.065538	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Na+K"	61.952376
"258015"	768.373168	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+ACN+Na"	64.015768
"1236556"	416.194468	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+ACN+Na"	64.015768
"1720703"	416.217993	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+NH4+HCOOH"	64.039293
"1189336"	140.382118	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+3Na"	68.967654
"1660323"	421.173388	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Na+HCOOH"	68.994688
"166090"	781.27644	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+2K-H"	76.91904
"601281"	1133.45514	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+2K-H"	76.91904
"1091260"	429.09774	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2K-H"	76.91904
"149168"	391.141858	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"2M+2K"	77.926316
"595292"	567.231208	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"3M+2K"	77.926316
"1083085"	215.052508	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2K"	77.926316
"1103175"	431.112292	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2K+H"	78.933592
"1338830"	431.199907	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+DMSO+H"	79.021207
"1009182"	435.239076	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2ACN+H"	83.060376
"1529500"	436.232708	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+IsoProp+Na+H"	84.054008
"992670"	218.123176	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+2ACN+2H"	84.067652
"1590455"	437.147328	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+K+HCOOH"	84.968628
"1423770"	467.178838	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+H+CF3COOH"	115.000138
"1158437"	238.636451	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+3ACN+2H"	125.094202
"1709081"	484.205385	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+NH4+CF3COOH"	132.026685
"1648013"	489.16078	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+Na+CF3COOH"	136.98208
"1580386"	505.13472	"C19931"	"Raucaffrinoline"	"C21H24N2O3"	"352.1787"	"M+K+CF3COOH"	152.95602
"801594"	350.163	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M"	0
"984285"	331.14461	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-H2O-H"	-19.01839
"63780"	232.434724	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M-3H"	-3.021828
"503135"	349.155724	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M-3H"	-3.021828
"881141"	115.713724	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-3H"	-3.021828
"2995"	349.155724	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M-2H"	-2.014552
"442555"	524.237224	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M-2H"	-2.014552
"817270"	174.074224	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-2H"	-2.014552
"78680"	699.318724	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M-H"	-1.007276
"519181"	1049.481724	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M-H"	-1.007276
"895676"	349.155724	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-H"	-1.007276
"49902"	716.345271	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M-2H+NH4"	16.019271
"489463"	1066.508271	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M-2H+NH4"	16.019271
"872370"	366.182271	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-2H+NH4"	16.019271
"32369"	721.300666	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M-2H+Na"	20.974666
"481291"	1071.463666	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M-2H+Na"	20.974666
"853626"	371.137666	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-2H+Na"	20.974666
"1620971"	371.137666	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Na-2H"	20.974666
"97501"	367.144063	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M-H+Cl"	33.962126
"537062"	542.225563	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M-H+Cl"	33.962126
"927332"	192.062563	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-H+Cl"	33.962126
"267208"	735.295402	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+Cl"	34.969402
"659963"	1085.458402	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+Cl"	34.969402
"1272849"	385.132402	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Cl"	34.969402
"16140"	737.274606	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M-2H+K"	36.948606
"456029"	1087.437606	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M-2H+K"	36.948606
"833142"	387.111606	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-2H+K"	36.948606
"1555822"	387.111606	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+K-2H"	36.948606
"944155"	395.161194	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-H+HCOOH"	44.998194
"362732"	745.324201	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+HCOOH-H"	44.998201
"348076"	759.339851	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+Hac-H"	59.013851
"1493991"	409.176851	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Hac-H"	59.013851
"961177"	417.143151	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-H+NaCOOH"	66.980151
"109995"	385.132402	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+2Cl"	69.938804
"558767"	560.213902	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+2Cl"	69.938804
"1027565"	210.050902	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2Cl"	69.938804
"1250424"	429.081885	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Br"	78.918885
"1313964"	431.137872	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Cl+HCOOH"	80.974872
"1324902"	453.119829	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Cl+NaCOOH"	102.956829
"917053"	463.148586	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M-H+CF3COOH"	112.985586
"1290479"	499.125264	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Cl+CF3COOH"	148.962264
"1371921"	315.150324	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H-2H2O"	-35.012676
"1388325"	333.1603	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H-H2O"	-17.0027
"292386"	701.333276	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+H"	1.007276
"686994"	1051.496276	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+H"	1.007276
"1364442"	351.170276	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H"	1.007276
"137331"	351.170276	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+2H"	2.014552
"574705"	526.251776	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+2H"	2.014552
"1044596"	176.088776	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2H"	2.014552
"214685"	234.449276	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+3H"	3.021828
"654245"	351.170276	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+3H"	3.021828
"1173464"	117.728276	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+3H"	3.021828
"437831"	718.359823	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+NH4"	18.033823
"793360"	1068.522823	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+NH4"	18.033823
"1687503"	368.196823	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+NH4"	18.033823
"333958"	359.6835495	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+H+NH4"	19.041099
"728567"	534.7650495	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+H+NH4"	19.041099
"1481292"	184.6020495	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H+NH4"	19.041099
"396693"	723.315218	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+Na"	22.989218
"755501"	1073.478218	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+Na"	22.989218
"1605788"	373.152218	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Na"	22.989218
"316552"	362.161247	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+H+Na"	23.996494
"709339"	537.242747	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+H+Na"	23.996494
"1461487"	187.079747	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H+Na"	23.996494
"1053317"	125.05559	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2H+Na"	25.00377
"1257178"	383.196486	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+CH3OH+H"	33.033486
"381395"	739.289158	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+K"	38.963158
"740934"	1089.452158	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+K"	38.963158
"1543719"	389.126158	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+K"	38.963158
"303083"	370.148217	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+H+K"	39.970434
"698785"	545.229717	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+H+K"	39.970434
"1452606"	195.066717	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H+K"	39.970434
"244489"	742.359826	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+ACN+H"	42.033826
"1212821"	392.196826	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+ACN+H"	42.033826
"1195612"	196.602051	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+ACN+2H"	43.041102
"190671"	745.29716	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+2Na-H"	44.97116
"632415"	1095.46016	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+2Na-H"	44.97116
"1134829"	395.13416	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2Na-H"	44.97116
"174839"	373.152218	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+2Na"	45.978436
"615492"	548.233718	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+2Na"	45.978436
"1115639"	198.070718	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2Na"	45.978436
"1407997"	132.382904	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H+2Na"	46.985712
"1441941"	397.175746	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H+HCOOH"	47.012746
"235285"	378.18524	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+3H2O+2H"	56.04448
"1523831"	411.22779	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+IsoProp+H"	61.06479
"418653"	381.139188	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+Na+K"	61.952376
"777462"	556.220688	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+Na+K"	61.952376
"1673792"	206.057688	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Na+K"	61.952376
"254116"	764.341768	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+ACN+Na"	64.015768
"1236666"	414.178768	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+ACN+Na"	64.015768
"1723000"	414.202293	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+NH4+HCOOH"	64.039293
"1186167"	139.710218	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+3Na"	68.967654
"1658246"	419.157688	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Na+HCOOH"	68.994688
"170819"	777.24504	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+2K-H"	76.91904
"602485"	1127.40804	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+2K-H"	76.91904
"1091370"	427.08204	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2K-H"	76.91904
"151468"	389.126158	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"2M+2K"	77.926316
"594309"	564.207658	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"3M+2K"	77.926316
"1071166"	214.044658	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2K"	77.926316
"1103649"	429.096592	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2K+H"	78.933592
"1337845"	429.184207	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+DMSO+H"	79.021207
"1012579"	433.223376	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2ACN+H"	83.060376
"1531800"	434.217008	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+IsoProp+Na+H"	84.054008
"992780"	217.115326	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+2ACN+2H"	84.067652
"1590565"	435.131628	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+K+HCOOH"	84.968628
"1422787"	465.163138	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+H+CF3COOH"	115.000138
"1157454"	237.628601	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+3ACN+2H"	125.094202
"1707004"	482.189685	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+NH4+CF3COOH"	132.026685
"1644841"	487.14508	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+Na+CF3COOH"	136.98208
"1580496"	503.11902	"C19932"	"Perakine;Raucaffrine"	"C21H22N2O3"	"350.163"	"M+K+CF3COOH"	152.95602
"810862"	304.1675	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M"	0
"981115"	285.14911	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-H2O-H"	-19.01839
"74826"	201.771057333333	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M-3H"	-3.021828
"511106"	303.160224	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M-3H"	-3.021828
"884533"	100.381890666667	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-3H"	-3.021828
"5294"	303.160224	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M-2H"	-2.014552
"440838"	455.243974	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M-2H"	-2.014552
"818282"	151.076474	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-2H"	-2.014552
"79364"	607.327724	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M-H"	-1.007276
"522209"	911.495224	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M-H"	-1.007276
"896154"	303.160224	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-H"	-1.007276
"48543"	624.354271	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M-2H+NH4"	16.019271
"490666"	928.521771	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M-2H+NH4"	16.019271
"873937"	320.186771	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-2H+NH4"	16.019271
"42571"	629.309666	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M-2H+Na"	20.974666
"482496"	933.477166	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M-2H+Na"	20.974666
"857016"	325.142166	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-2H+Na"	20.974666
"1624363"	325.142166	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Na-2H"	20.974666
"104173"	321.148563	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M-H+Cl"	33.962126
"541547"	473.232313	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M-H+Cl"	33.962126
"927284"	169.064813	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-H+Cl"	33.962126
"267905"	643.304402	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+Cl"	34.969402
"660158"	947.471902	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+Cl"	34.969402
"1273089"	339.136902	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Cl"	34.969402
"16131"	645.283606	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M-2H+K"	36.948606
"456219"	949.451106	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M-2H+K"	36.948606
"833253"	341.116106	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-2H+K"	36.948606
"1556745"	341.116106	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+K-2H"	36.948606
"945723"	349.165694	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-H+HCOOH"	44.998194
"362476"	653.333201	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+HCOOH-H"	44.998201
"347824"	667.348851	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+Hac-H"	59.013851
"1503228"	363.181351	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Hac-H"	59.013851
"967123"	371.147651	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-H+NaCOOH"	66.980151
"123691"	339.136902	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+2Cl"	69.938804
"556689"	491.220652	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+2Cl"	69.938804
"1030955"	187.053152	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2Cl"	69.938804
"1251628"	383.086385	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Br"	78.918885
"1312983"	385.142372	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Cl+HCOOH"	80.974872
"1322460"	407.124329	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Cl+NaCOOH"	102.956829
"918256"	417.153086	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M-H+CF3COOH"	112.985586
"1294964"	453.129764	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Cl+CF3COOH"	148.962264
"1369844"	269.154824	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H-2H2O"	-35.012676
"1391715"	287.1648	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H-H2O"	-17.0027
"292496"	609.342276	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+H"	1.007276
"686015"	913.509776	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+H"	1.007276
"1363458"	305.174776	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H"	1.007276
"135254"	305.174776	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+2H"	2.014552
"574815"	457.258526	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+2H"	2.014552
"1044707"	153.091026	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2H"	2.014552
"212607"	203.785609333333	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+3H"	3.021828
"651074"	305.174776	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+3H"	3.021828
"1175763"	102.396442666667	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+3H"	3.021828
"432475"	626.368823	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+NH4"	18.033823
"790186"	930.536323	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+NH4"	18.033823
"1688705"	322.201323	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+NH4"	18.033823
"333339"	313.6880495	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+H+NH4"	19.041099
"725760"	465.7717995	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+H+NH4"	19.041099
"1478487"	161.6042995	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H+NH4"	19.041099
"396074"	631.324218	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+Na"	22.989218
"756703"	935.491718	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+Na"	22.989218
"1606262"	327.156718	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Na"	22.989218
"317026"	316.165747	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+H+Na"	23.996494
"712366"	468.249497	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+H+Na"	23.996494
"1465090"	164.081997	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H+Na"	23.996494
"1054082"	109.723756666667	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2H+Na"	25.00377
"1259285"	337.200986	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+CH3OH+H"	33.033486
"379684"	647.298158	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+K"	38.963158
"743232"	951.465658	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+K"	38.963158
"1544922"	343.130658	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+K"	38.963158
"309389"	324.152717	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+H+K"	39.970434
"698897"	476.236467	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+H+K"	39.970434
"1454903"	172.068967	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H+K"	39.970434
"237305"	650.368826	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+ACN+H"	42.033826
"1214027"	346.201326	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+ACN+H"	42.033826
"1197911"	173.604301	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+ACN+2H"	43.041102
"196249"	653.30616	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+2Na-H"	44.97116
"631435"	957.47366	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+2Na-H"	44.97116
"1134940"	349.13866	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2Na-H"	44.97116
"177135"	327.156718	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+2Na"	45.978436
"612842"	479.240468	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+2Na"	45.978436
"1120208"	175.072968	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2Na"	45.978436
"1411393"	117.051070666667	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H+2Na"	46.985712
"1445097"	351.180246	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H+HCOOH"	47.012746
"235158"	332.18974	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+3H2O+2H"	56.04448
"1521753"	365.23229	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+IsoProp+H"	61.06479
"422410"	335.143688	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+Na+K"	61.952376
"781948"	487.227438	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+Na+K"	61.952376
"1680589"	183.059938	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Na+K"	61.952376
"263702"	672.350768	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+ACN+Na"	64.015768
"1235318"	368.183268	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+ACN+Na"	64.015768
"1724932"	368.206793	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+NH4+HCOOH"	64.039293
"1191744"	124.378384666667	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+3Na"	68.967654
"1663825"	373.162188	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Na+HCOOH"	68.994688
"168503"	685.25404	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+2K-H"	76.91904
"605875"	989.42154	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+2K-H"	76.91904
"1094759"	381.08654	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2K-H"	76.91904
"151575"	343.130658	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"2M+2K"	77.926316
"586765"	495.214408	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"3M+2K"	77.926316
"1074559"	191.046908	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2K"	77.926316
"1103395"	383.101092	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2K+H"	78.933592
"1336865"	383.188707	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+DMSO+H"	79.021207
"1009409"	387.227876	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2ACN+H"	83.060376
"1529723"	388.221508	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+IsoProp+Na+H"	84.054008
"998359"	194.117576	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+2ACN+2H"	84.067652
"1595049"	389.136128	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+K+HCOOH"	84.968628
"1425087"	419.167638	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+H+CF3COOH"	115.000138
"1158657"	214.630851	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+3ACN+2H"	125.094202
"1706020"	436.194185	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+NH4+CF3COOH"	132.026685
"1640578"	441.14958	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+Na+CF3COOH"	136.98208
"1580606"	457.12352	"C19933"	"Prosolanapyrone II"	"C18H24O4"	"304.1675"	"M+K+CF3COOH"	152.95602
"809881"	302.1518	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M"	0
"981225"	283.13341	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H2O-H"	-19.01839
"73842"	200.427257333333	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-3H"	-3.021828
"509029"	301.144524	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-3H"	-3.021828
"886829"	99.7099906666667	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-3H"	-3.021828
"5403"	301.144524	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H"	-2.014552
"441191"	452.220424	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H"	-2.014552
"818634"	150.068624	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H"	-2.014552
"78655"	603.296324	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-H"	-1.007276
"522319"	905.448124	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-H"	-1.007276
"895978"	301.144524	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H"	-1.007276
"48533"	620.322871	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H+NH4"	16.019271
"488952"	922.474671	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H+NH4"	16.019271
"868580"	318.171071	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H+NH4"	16.019271
"39765"	625.278266	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H+Na"	20.974666
"481512"	927.430066	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H+Na"	20.974666
"856033"	323.126466	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H+Na"	20.974666
"1624473"	323.126466	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na-2H"	20.974666
"104283"	319.132863	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-H+Cl"	33.962126
"542750"	470.208763	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-H+Cl"	33.962126
"927434"	168.056963	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+Cl"	33.962126
"268137"	639.273002	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Cl"	34.969402
"661765"	941.424802	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+Cl"	34.969402
"1273159"	337.121202	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl"	34.969402
"16603"	641.252206	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H+K"	36.948606
"456897"	943.404006	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H+K"	36.948606
"833484"	339.100406	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H+K"	36.948606
"1556853"	339.100406	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K-2H"	36.948606
"944128"	347.149994	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+HCOOH"	44.998194
"364044"	649.301801	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+HCOOH-H"	44.998201
"346836"	663.317451	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Hac-H"	59.013851
"1495312"	361.165651	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Hac-H"	59.013851
"963952"	369.131951	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+NaCOOH"	66.980151
"122705"	337.121202	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2Cl"	69.938804
"556799"	488.197102	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2Cl"	69.938804
"1027786"	186.045302	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2Cl"	69.938804
"1251738"	381.070685	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Br"	78.918885
"1313092"	383.126672	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl+HCOOH"	80.974872
"1325486"	405.108629	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl+NaCOOH"	102.956829
"917273"	415.137386	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+CF3COOH"	112.985586
"1296168"	451.114064	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl+CF3COOH"	148.962264
"1369954"	267.139124	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H-2H2O"	-35.012676
"1391825"	285.1491	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H-H2O"	-17.0027
"292606"	605.310876	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H"	1.007276
"685032"	907.462676	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H"	1.007276
"1360287"	303.159076	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H"	1.007276
"134270"	303.159076	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2H"	2.014552
"573831"	454.234976	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2H"	2.014552
"1049190"	152.083176	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2H"	2.014552
"210894"	202.441809333333	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+3H"	3.021828
"650092"	303.159076	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+3H"	3.021828
"1171498"	101.724542666667	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+3H"	3.021828
"430395"	622.337423	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+NH4"	18.033823
"792483"	924.489223	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+NH4"	18.033823
"1688816"	320.185623	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+NH4"	18.033823
"332720"	311.6723495	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H+NH4"	19.041099
"726236"	462.7482495	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H+NH4"	19.041099
"1481147"	160.5964495	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+NH4"	19.041099
"396913"	627.292818	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Na"	22.989218
"757179"	929.444618	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+Na"	22.989218
"1606008"	325.141018	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na"	22.989218
"316044"	314.150047	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H+Na"	23.996494
"712476"	465.225947	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H+Na"	23.996494
"1466295"	163.074147	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+Na"	23.996494
"1062821"	109.051856666667	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2H+Na"	25.00377
"1263408"	335.185286	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+CH3OH+H"	33.033486
"380889"	643.266758	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+K"	38.963158
"746260"	945.418558	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+K"	38.963158
"1545033"	341.114958	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K"	38.963158
"309864"	322.137017	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H+K"	39.970434
"697913"	473.212917	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H+K"	39.970434
"1455014"	171.061117	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+K"	39.970434
"243614"	646.337426	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+ACN+H"	42.033826
"1214501"	344.185626	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+ACN+H"	42.033826
"1197656"	172.596451	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+ACN+2H"	43.041102
"195267"	649.27476	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2Na-H"	44.97116
"633732"	951.42656	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2Na-H"	44.97116
"1136143"	347.12296	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2Na-H"	44.97116
"177245"	325.141018	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2Na"	45.978436
"613645"	476.216918	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2Na"	45.978436
"1120318"	174.065118	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2Na"	45.978436
"1411139"	116.379170666667	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+2Na"	46.985712
"1443743"	349.164546	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+HCOOH"	47.012746
"234900"	330.17404	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+3H2O+2H"	56.04448
"1522105"	363.21659	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+IsoProp+H"	61.06479
"418874"	333.127988	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Na+K"	61.952376
"776589"	484.203888	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+Na+K"	61.952376
"1674012"	182.052088	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na+K"	61.952376
"264178"	668.319368	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+ACN+Na"	64.015768
"1239074"	366.167568	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+ACN+Na"	64.015768
"1725042"	366.191093	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+NH4+HCOOH"	64.039293
"1191492"	123.706484666667	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+3Na"	68.967654
"1659564"	371.146488	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na+HCOOH"	68.994688
"168613"	681.22264	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2K-H"	76.91904
"604891"	983.37444	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2K-H"	76.91904
"1088309"	379.07084	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2K-H"	76.91904
"149498"	341.114958	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2K"	77.926316
"584685"	492.190858	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2K"	77.926316
"1073574"	190.039058	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2K"	77.926316
"1100953"	381.085392	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2K+H"	78.933592
"1338795"	381.173007	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+DMSO+H"	79.021207
"1008423"	385.212176	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2ACN+H"	83.060376
"1527645"	386.205808	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+IsoProp+Na+H"	84.054008
"996282"	193.109726	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2ACN+2H"	84.067652
"1591879"	387.120428	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K+HCOOH"	84.968628
"1424104"	417.151938	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+CF3COOH"	115.000138
"1156580"	213.623001	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+3ACN+2H"	125.094202
"1706130"	434.178485	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+NH4+CF3COOH"	132.026685
"1640688"	439.13388	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na+CF3COOH"	136.98208
"1580716"	455.10782	"C19934"	"Prosolanapyrone III;4-Methoxy-2-oxo-6-(1E7E9E)-undeca-179-trien-1-yl-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K+CF3COOH"	152.95602
"815458"	42.0092	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M"	0
"983522"	22.99081	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-H2O-H"	-19.01839
"77233"	26.9988573333333	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M-3H"	-3.021828
"511326"	41.001924	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M-3H"	-3.021828
"891313"	12.9957906666667	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-3H"	-3.021828
"6607"	41.001924	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M-2H"	-2.014552
"443981"	62.006524	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M-2H"	-2.014552
"819227"	19.997324	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-2H"	-2.014552
"80682"	83.011124	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M-H"	-1.007276
"522429"	125.020324	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M-H"	-1.007276
"896334"	41.001924	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-H"	-1.007276
"48645"	100.037671	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M-2H+NH4"	16.019271
"488211"	142.046871	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M-2H+NH4"	16.019271
"866503"	58.028471	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-2H+NH4"	16.019271
"39875"	104.993066	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M-2H+Na"	20.974666
"481259"	147.002266	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M-2H+Na"	20.974666
"858330"	62.983866	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-2H+Na"	20.974666
"1624583"	62.983866	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Na-2H"	20.974666
"103300"	58.990263	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M-H+Cl"	33.962126
"536663"	79.994863	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M-H+Cl"	33.962126
"927988"	37.985663	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-H+Cl"	33.962126
"268855"	118.987802	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+Cl"	34.969402
"661149"	160.997002	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+Cl"	34.969402
"1273793"	76.978602	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Cl"	34.969402
"16714"	120.967006	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M-2H+K"	36.948606
"457132"	162.976206	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M-2H+K"	36.948606
"833594"	78.957806	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-2H+K"	36.948606
"1558058"	78.957806	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+K-2H"	36.948606
"946302"	87.007394	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-H+HCOOH"	44.998194
"364881"	129.016601	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+HCOOH-H"	44.998201
"348034"	143.032251	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+Hac-H"	59.013851
"1495058"	101.023051	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Hac-H"	59.013851
"966250"	108.989351	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-H+NaCOOH"	66.980151
"121721"	76.978602	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+2Cl"	69.938804
"563106"	97.983202	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+2Cl"	69.938804
"1031177"	55.974002	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2Cl"	69.938804
"1252942"	120.928085	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Br"	78.918885
"1314297"	122.984072	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Cl+HCOOH"	80.974872
"1327419"	144.966029	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Cl+NaCOOH"	102.956829
"919570"	154.994786	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M-H+CF3COOH"	112.985586
"1298465"	190.971464	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Cl+CF3COOH"	148.962264
"1373345"	6.996524	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H-2H2O"	-35.012676
"1391935"	25.0065	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H-H2O"	-17.0027
"292716"	85.025676	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+H"	1.007276
"682955"	127.034876	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+H"	1.007276
"1362585"	43.016476	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H"	1.007276
"133288"	43.016476	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+2H"	2.014552
"571755"	64.021076	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+2H"	2.014552
"1046021"	22.011876	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2H"	2.014552
"209547"	29.0134093333333	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+3H"	3.021828
"649109"	43.016476	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+3H"	3.021828
"1170516"	15.0103426666667	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+3H"	3.021828
"429414"	102.052223	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+NH4"	18.033823
"792594"	144.061423	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+NH4"	18.033823
"1686740"	60.043023	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+NH4"	18.033823
"333559"	51.5297495	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+H+NH4"	19.041099
"726346"	72.5343495	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+H+NH4"	19.041099
"1479071"	30.5251495	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H+NH4"	19.041099
"395199"	107.007618	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+Na"	22.989218
"756196"	149.016818	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+Na"	22.989218
"1604661"	64.998418	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Na"	22.989218
"316155"	54.007447	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+H+Na"	23.996494
"711493"	75.012047	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+H+Na"	23.996494
"1465312"	33.002847	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H+Na"	23.996494
"1059652"	22.3376566666667	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2H+Na"	25.00377
"1262425"	75.042686	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+CH3OH+H"	33.033486
"378812"	122.981558	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+K"	38.963158
"746370"	164.990758	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+K"	38.963158
"1548423"	80.972358	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+K"	38.963158
"309974"	61.994417	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+H+K"	39.970434
"699116"	82.999017	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+H+K"	39.970434
"1454031"	40.989817	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H+K"	39.970434
"243724"	126.052226	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+ACN+H"	42.033826
"1217527"	84.043026	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+ACN+H"	42.033826
"1198132"	42.525151	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+ACN+2H"	43.041102
"196471"	128.98956	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+2Na-H"	44.97116
"637121"	170.99876	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+2Na-H"	44.97116
"1138440"	86.98036	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2Na-H"	44.97116
"181729"	64.998418	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+2Na"	45.978436
"614852"	86.003018	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+2Na"	45.978436
"1122614"	43.993818	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2Na"	45.978436
"1410884"	29.6649706666667	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H+2Na"	46.985712
"1444583"	89.021946	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H+HCOOH"	47.012746
"234276"	70.03144	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+3H2O+2H"	56.04448
"1518204"	103.07399	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+IsoProp+H"	61.06479
"414610"	72.985388	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+Na+K"	61.952376
"775605"	93.989988	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+Na+K"	61.952376
"1670842"	51.980788	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Na+K"	61.952376
"262828"	148.034168	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+ACN+Na"	64.015768
"1235537"	106.024968	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+ACN+Na"	64.015768
"1723329"	106.048493	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+NH4+HCOOH"	64.039293
"1191236"	36.9922846666667	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+3Na"	68.967654
"1659674"	111.003888	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Na+HCOOH"	68.994688
"168723"	160.93744	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+2K-H"	76.91904
"607189"	202.94664	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+2K-H"	76.91904
"1091699"	118.92824	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2K-H"	76.91904
"149608"	80.972358	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"2M+2K"	77.926316
"589169"	101.976958	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"3M+2K"	77.926316
"1073684"	59.967758	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2K"	77.926316
"1103245"	120.942792	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2K+H"	78.933592
"1338174"	121.030407	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+DMSO+H"	79.021207
"1008532"	125.069576	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2ACN+H"	83.060376
"1524711"	126.063208	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+IsoProp+Na+H"	84.054008
"990924"	63.038426	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+2ACN+2H"	84.067652
"1589802"	126.977828	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+K+HCOOH"	84.968628
"1424214"	157.009338	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+H+CF3COOH"	115.000138
"1155597"	83.551701	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+3ACN+2H"	125.094202
"1705147"	174.035885	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+NH4+CF3COOH"	132.026685
"1639705"	178.99128	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+Na+CF3COOH"	136.98208
"1580826"	194.96522	"C19935"	"Azide;Nitrogen ion (N3-);Azide ion;Hydrazoate"	"N3"	"42.0092"	"M+K+CF3COOH"	152.95602
"810100"	310.2144	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M"	0
"982539"	291.19601	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-H2O-H"	-19.01839
"72968"	205.802324	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M-3H"	-3.021828
"511435"	309.207124	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M-3H"	-3.021828
"889236"	102.397524	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-3H"	-3.021828
"6717"	309.207124	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H"	-2.014552
"444091"	464.314324	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H"	-2.014552
"821888"	154.099924	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-2H"	-2.014552
"80423"	619.421524	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M-H"	-1.007276
"522539"	929.635924	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M-H"	-1.007276
"896451"	309.207124	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-H"	-1.007276
"48999"	636.448071	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+NH4"	16.019271
"487589"	946.662471	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+NH4"	16.019271
"876458"	326.233671	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+NH4"	16.019271
"39985"	641.403466	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+Na"	20.974666
"482098"	951.617866	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+Na"	20.974666
"860264"	331.189066	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+Na"	20.974666
"1624693"	331.189066	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Na-2H"	20.974666
"101223"	327.195463	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M-H+Cl"	33.962126
"536773"	482.302663	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M-H+Cl"	33.962126
"935392"	172.088263	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-H+Cl"	33.962126
"272126"	655.398202	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+Cl"	34.969402
"660651"	965.612602	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+Cl"	34.969402
"1274520"	345.183802	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl"	34.969402
"18048"	657.377406	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+K"	36.948606
"458336"	967.591806	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+K"	36.948606
"835409"	347.163006	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+K"	36.948606
"1558896"	347.163006	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+K-2H"	36.948606
"950060"	355.212594	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-H+HCOOH"	44.998194
"366087"	665.427001	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+HCOOH-H"	44.998201
"348519"	679.442651	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+Hac-H"	59.013851
"1497721"	369.228251	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Hac-H"	59.013851
"967453"	377.194551	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-H+NaCOOH"	66.980151
"121465"	345.183802	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Cl"	69.938804
"562124"	500.291002	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Cl"	69.938804
"1036391"	190.076602	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2Cl"	69.938804
"1254148"	389.133285	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Br"	78.918885
"1316596"	391.189272	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+HCOOH"	80.974872
"1327530"	413.171229	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+NaCOOH"	102.956829
"921869"	423.199986	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M-H+CF3COOH"	112.985586
"1300764"	459.176664	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+CF3COOH"	148.962264
"1376738"	275.201724	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H-2H2O"	-35.012676
"1390954"	293.2117	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H-H2O"	-17.0027
"293922"	621.436076	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+H"	1.007276
"680878"	931.650476	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+H"	1.007276
"1360508"	311.221676	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H"	1.007276
"133398"	311.221676	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+2H"	2.014552
"568948"	466.328876	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+2H"	2.014552
"1043945"	156.114476	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2H"	2.014552
"209659"	207.816876	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+3H"	3.021828
"646668"	311.221676	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+3H"	3.021828
"1167345"	104.412076	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+3H"	3.021828
"426119"	638.462623	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+NH4"	18.033823
"792704"	948.677023	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+NH4"	18.033823
"1689037"	328.248223	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4"	18.033823
"334033"	319.7349495	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+NH4"	19.041099
"727912"	474.8421495	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+NH4"	19.041099
"1479181"	164.6277495	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H+NH4"	19.041099
"395671"	643.418018	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+Na"	22.989218
"758491"	953.632418	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+Na"	22.989218
"1606958"	333.203618	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Na"	22.989218
"318087"	322.212647	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+Na"	23.996494
"709415"	477.319847	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+Na"	23.996494
"1465422"	167.105447	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H+Na"	23.996494
"1059762"	111.73939	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2H+Na"	25.00377
"1261442"	343.247886	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+CH3OH+H"	33.033486
"378922"	659.391958	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+K"	38.963158
"745387"	969.606358	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+K"	38.963158
"1544158"	349.177558	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+K"	38.963158
"304616"	330.199617	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+K"	39.970434
"702506"	485.306817	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+K"	39.970434
"1453048"	175.092417	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H+K"	39.970434
"244926"	662.462626	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+ACN+H"	42.033826
"1218730"	352.248226	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+H"	42.033826
"1199338"	176.627751	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+2H"	43.041102
"195487"	665.39996	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Na-H"	44.97116
"635047"	975.61436	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Na-H"	44.97116
"1138551"	355.18556	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2Na-H"	44.97116
"180746"	333.203618	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Na"	45.978436
"614961"	488.310818	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Na"	45.978436
"1120541"	178.096418	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2Na"	45.978436
"1413759"	119.066704	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H+2Na"	46.985712
"1445059"	357.227146	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H+HCOOH"	47.012746
"233902"	338.23664	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+3H2O+2H"	56.04448
"1523057"	371.27919	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+H"	61.06479
"420555"	341.190588	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+Na+K"	61.952376
"777904"	496.297788	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+Na+K"	61.952376
"1678243"	186.083388	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+K"	61.952376
"265125"	684.444568	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+ACN+Na"	64.015768
"1240025"	374.230168	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+Na"	64.015768
"1727453"	374.253693	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4+HCOOH"	64.039293
"1190619"	126.394018	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+3Na"	68.967654
"1660879"	379.209088	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+HCOOH"	68.994688
"167740"	697.34784	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+2K-H"	76.91904
"610580"	1007.56224	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+2K-H"	76.91904
"1097278"	387.13344	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2K-H"	76.91904
"148626"	349.177558	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"2M+2K"	77.926316
"592562"	504.284758	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"3M+2K"	77.926316
"1080355"	194.070358	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2K"	77.926316
"1105182"	389.147992	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2K+H"	78.933592
"1340110"	389.235607	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+DMSO+H"	79.021207
"1008642"	393.274776	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2ACN+H"	83.060376
"1524822"	394.268408	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+Na+H"	84.054008
"990659"	197.141026	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+2ACN+2H"	84.067652
"1587840"	395.183028	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+K+HCOOH"	84.968628
"1423231"	425.214538	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+H+CF3COOH"	115.000138
"1156800"	217.654301	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+3ACN+2H"	125.094202
"1705257"	442.241085	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4+CF3COOH"	132.026685
"1638719"	447.19648	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+CF3COOH"	136.98208
"1580936"	463.17042	"C19936"	"(9R10E12Z15Z)-9-Hydroperoxyoctadeca-101215-trienoate"	"C18H30O4"	"310.2144"	"M+K+CF3COOH"	152.95602
"811304"	312.2301	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M"	0
"983742"	293.21171	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"67609"	207.146124	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"513732"	311.222824	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"888252"	103.069424	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"9015"	311.222824	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"450761"	467.337874	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"819449"	155.107774	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"80535"	623.452924	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"523736"	935.683024	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"896077"	311.222824	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"50453"	640.479471	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"493296"	952.709571	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"868911"	328.249371	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"35719"	645.434866	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"483301"	957.664966	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"856363"	333.204766	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1628815"	333.204766	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"103156"	329.211163	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"538706"	485.326213	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"936595"	173.096113	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"271872"	659.429602	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"664655"	971.659702	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1278880"	347.199502	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"19251"	661.408806	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"462455"	973.638906	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"836977"	349.178706	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1560464"	349.178706	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"945430"	357.228294	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"371673"	669.458401	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"356653"	683.474051	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1498924"	371.243951	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"964287"	379.210251	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"122672"	347.199502	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"562598"	503.314552	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1036706"	191.084452	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1256773"	391.148985	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1311238"	393.204972	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1330920"	415.186929	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"926231"	425.215686	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1303062"	461.192364	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1377942"	277.217424	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1392157"	295.2274	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"294034"	625.467476	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"686457"	937.697576	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1363899"	313.237376	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"135697"	313.237376	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"575256"	469.352426	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1050616"	157.122326	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"214143"	209.160676	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"656985"	313.237376	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1177298"	105.083976	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"435102"	642.494023	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"793907"	954.724123	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1689146"	330.263923	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"339610"	321.7506495	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"729115"	477.8656995	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1482934"	165.6355995	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"401249"	647.449418	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"762247"	959.679518	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1609252"	335.219318	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"324758"	324.228347	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"713900"	480.343397	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1467719"	168.113297	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1063153"	112.41129	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1267020"	345.263586	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"386687"	663.423358	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"752062"	975.653458	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1553744"	351.193258	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"311287"	332.215317	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"701523"	488.330367	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1459716"	176.100267	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"245038"	666.494026	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1218841"	354.263926	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1202724"	177.635601	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"199606"	669.43136	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"640624"	981.66146	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1144494"	357.20126	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"183043"	335.219318	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"624438"	491.334368	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1121745"	179.104268	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1411103"	119.738604	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1437386"	359.242846	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"231455"	340.25234	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1519885"	373.29489	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"423216"	343.206288	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"780200"	499.321338	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1673248"	187.091238	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"264142"	688.475968	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1239406"	376.245868	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1728376"	376.269393	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1192552"	127.065918	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1665250"	381.224788	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"170035"	701.37924	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"611783"	1013.60934	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1095200"	389.14914	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"152018"	351.193258	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"596641"	507.308308	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1077187"	195.078208	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1106020"	391.163692	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1340221"	391.251307	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1009849"	395.290476	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1524448"	396.284108	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"994425"	198.148876	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1595494"	397.198728	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1424434"	427.230238	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1158003"	218.662151	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1703180"	444.256785	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1647217"	449.21218	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1581046"	465.18612	"C19937"	"(8E10R12Z)-10-Hydroperoxy-812-octadecadienoate"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"802662"	220.1827	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M"	0
"978386"	201.16431	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"65534"	145.781190666667	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"506187"	219.175424	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"881803"	72.3869573333333	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"1470"	219.175424	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"441148"	329.266774	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"817408"	109.084074	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"78622"	439.358124	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"518550"	659.540824	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"897031"	219.175424	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"48377"	456.384671	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"492313"	676.567371	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"864520"	236.201971	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"35831"	461.340066	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"472190"	681.522766	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"856475"	241.157366	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1627102"	241.157366	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"98163"	237.163763	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"537724"	347.255113	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"930143"	127.072413	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"269427"	475.334802	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"660057"	695.517502	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1272788"	255.152102	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"17294"	477.314006	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"456611"	697.496706	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"839274"	257.131306	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1555874"	257.131306	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"951382"	265.180894	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"368503"	485.363601	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"353483"	499.379251	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1496848"	279.196551	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"971693"	287.162851	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"119869"	255.152102	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"564532"	365.243452	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1032602"	145.060752	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1255096"	299.101585	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1316814"	301.157572	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1326657"	323.139529	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"919900"	333.168286	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1297702"	369.144964	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1375866"	185.170024	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1394460"	203.18	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"289772"	441.372676	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"688391"	661.555376	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1358542"	221.189976	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"139813"	221.189976	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"574272"	331.281326	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1052550"	111.098626	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"219886"	147.795742666667	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"657095"	221.189976	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1170845"	74.4015093333333	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"433025"	458.399223	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"791829"	678.581923	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1685976"	238.216523	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"337534"	229.7032495	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"728132"	339.7945995	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1480860"	119.6118995	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"394799"	463.354618	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"756890"	683.537318	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1608269"	243.171918	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"317211"	232.180947	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"712914"	342.272297	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1472203"	122.089597	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1059980"	81.7288233333333	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1266034"	253.216186	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"384609"	479.328558	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"745606"	699.511258	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1545473"	259.145858	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"307023"	240.167917	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"699446"	350.259267	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1455453"	130.076567	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"244056"	482.399226	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1220045"	262.216526	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1200648"	131.611901	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"197531"	485.33656	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"638184"	705.51926	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1138770"	265.15386	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"178781"	243.171918	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"621632"	353.263268	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1127325"	133.080568	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1405381"	89.0561373333333	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1435310"	267.195446	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"231933"	248.20494	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1517441"	281.24749	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417128"	251.158888	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"775935"	361.250238	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1674454"	141.067538	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"262066"	504.381168	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1238056"	284.198468	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1726214"	284.221993	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1193393"	96.3834513333333	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1663282"	289.177388	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"169052"	517.28444	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"605333"	737.46714	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1092030"	297.10174	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"153222"	259.145858	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"591691"	369.237208	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1074017"	149.054508	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1105040"	299.116292	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1343612"	299.203907	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1006068"	303.243076	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1524477"	304.236708	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"995635"	152.125176	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1594512"	305.151328	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1422359"	335.182838	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1157020"	172.638451	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1702197"	352.209385	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1646600"	357.16478	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1581156"	373.13872	"C19938"	"Pentalen-13-ol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"802407"	218.1671	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M"	0
"978860"	199.14871	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"63262"	144.437457333333	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"504474"	217.159824	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"882277"	71.7150906666667	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"1698"	217.159824	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"441502"	326.243374	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"818575"	108.076274	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"80389"	435.326924	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"519583"	653.494024	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"897141"	217.159824	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"48487"	452.353471	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"492423"	670.520571	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"864589"	234.186371	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"35941"	457.308866	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"476594"	675.475966	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"854762"	239.141766	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1627212"	239.141766	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"101553"	235.148163	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"540385"	344.231713	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"931346"	126.064613	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"276828"	471.303602	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"666698"	689.470702	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1276186"	253.136502	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"22387"	473.282806	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"462312"	691.449906	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"843397"	255.115706	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1562144"	255.115706	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"949307"	263.165294	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"373354"	481.332401	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"354688"	495.348051	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1499146"	277.180951	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"971072"	285.147251	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"119979"	253.136502	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"563913"	362.220052	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1031619"	144.052952	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1254477"	297.085985	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1316924"	299.141972	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1327860"	321.123929	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"923291"	331.152686	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1297812"	367.129364	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1374883"	183.154424	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1389103"	201.1644	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"290975"	437.341476	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"681210"	655.508576	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1356464"	219.174376	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H"	1.007276
"138100"	219.174376	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"577662"	328.257926	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1049743"	110.090826	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"218497"	146.452009333333	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"658299"	219.174376	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1174235"	73.7296426666667	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"430948"	454.368023	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"791942"	672.535123	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1683532"	236.200923	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"339831"	227.6876495	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"725690"	336.7711995	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1481333"	118.6040995	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"395275"	459.323418	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"759912"	677.490518	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1606191"	241.156318	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"318418"	230.165347	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"713026"	339.248897	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1464660"	121.081797	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1061185"	81.0569566666667	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1262863"	251.200586	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"384722"	475.297358	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"751184"	693.464458	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1548865"	257.130258	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+K"	38.963158
"306041"	238.152317	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"698463"	347.235867	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1454470"	129.068767	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"244166"	478.368026	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1220155"	260.200926	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1205132"	130.604101	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"195817"	481.30536	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"640117"	699.47246	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1142161"	263.13826	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"181078"	241.156318	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"622835"	350.239868	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1128528"	132.072768	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1406584"	88.3842706666667	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1434326"	265.179846	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"230583"	246.18934	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1518644"	279.23189	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"422705"	249.143288	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"783699"	358.226838	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1677846"	140.059738	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"262178"	500.349968	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1234889"	282.182868	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1725969"	282.206393	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1192293"	95.7115846666667	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1663037"	287.161788	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"170987"	513.25324	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"611153"	731.42034	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1098946"	295.08614	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"153340"	257.130258	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"594354"	366.213808	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1080324"	148.046708	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1112804"	297.100692	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1345910"	297.188307	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1008000"	301.227476	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1526246"	302.221108	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"992451"	151.117376	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1588293"	303.135728	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1420276"	333.167238	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1157130"	171.630651	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1702307"	350.193785	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1646710"	355.14918	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1581266"	371.12312	"C19939"	"Pentalen-13-al"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"802520"	442.3811	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M"	0
"981885"	423.36271	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-H2O-H"	-19.01839
"65754"	293.913457333333	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M-3H"	-3.021828
"511877"	441.373824	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M-3H"	-3.021828
"885304"	146.453090666667	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-3H"	-3.021828
"4973"	441.373824	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M-2H"	-2.014552
"441253"	662.564374	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M-2H"	-2.014552
"824523"	220.183274	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-2H"	-2.014552
"81236"	883.754924	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M-H"	-1.007276
"522982"	1326.136024	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M-H"	-1.007276
"902972"	441.373824	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-H"	-1.007276
"55161"	900.781471	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M-2H+NH4"	16.019271
"495816"	1343.162571	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M-2H+NH4"	16.019271
"876534"	458.400371	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-2H+NH4"	16.019271
"44799"	905.736866	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M-2H+Na"	20.974666
"484364"	1348.117966	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M-2H+Na"	20.974666
"862164"	463.355766	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-2H+Na"	20.974666
"1630603"	463.355766	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Na-2H"	20.974666
"107134"	459.362163	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M-H+Cl"	33.962126
"548397"	680.552713	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M-H+Cl"	33.962126
"938022"	238.171613	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-H+Cl"	33.962126
"273661"	919.731602	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+Cl"	34.969402
"669001"	1362.112702	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+Cl"	34.969402
"1280310"	477.350502	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Cl"	34.969402
"22862"	921.710806	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M-2H+K"	36.948606
"462425"	1364.091906	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M-2H+K"	36.948606
"841322"	479.329706	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-2H+K"	36.948606
"1563714"	479.329706	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+K-2H"	36.948606
"950503"	487.379294	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-H+HCOOH"	44.998194
"375652"	929.760401	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+HCOOH-H"	44.998201
"350424"	943.776051	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+Hac-H"	59.013851
"1500354"	501.394951	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Hac-H"	59.013851
"968996"	509.361251	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-H+NaCOOH"	66.980151
"121189"	477.350502	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+2Cl"	69.938804
"560748"	698.541052	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+2Cl"	69.938804
"1033921"	256.159952	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2Cl"	69.938804
"1252406"	521.299985	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Br"	78.918885
"1310481"	523.355972	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Cl+HCOOH"	80.974872
"1333441"	545.337929	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Cl+NaCOOH"	102.956829
"924132"	555.366686	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M-H+CF3COOH"	112.985586
"1301572"	591.343364	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Cl+CF3COOH"	148.962264
"1379371"	407.368424	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H-2H2O"	-35.012676
"1391398"	425.3784	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H-H2O"	-17.0027
"289993"	885.769476	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+H"	1.007276
"677189"	1328.150576	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+H"	1.007276
"1353295"	443.388376	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H"	1.007276
"131653"	443.388376	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+2H"	2.014552
"575585"	664.578926	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+2H"	2.014552
"1048758"	222.197826	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2H"	2.014552
"211193"	295.928009333333	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+3H"	3.021828
"649660"	443.388376	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+3H"	3.021828
"1172159"	148.467642666667	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+3H"	3.021828
"431058"	902.796023	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+NH4"	18.033823
"788404"	1345.177123	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+NH4"	18.033823
"1688384"	460.414923	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+NH4"	18.033823
"334838"	451.9016495	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+H+NH4"	19.041099
"727986"	673.0921995	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+H+NH4"	19.041099
"1481443"	230.7110995	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H+NH4"	19.041099
"396478"	907.751418	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+Na"	22.989218
"757836"	1350.132518	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+Na"	22.989218
"1606304"	465.370318	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Na"	22.989218
"316343"	454.379347	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+H+Na"	23.996494
"710948"	675.569897	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+H+Na"	23.996494
"1465132"	233.188797	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H+Na"	23.996494
"1058013"	155.794956666667	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2H+Na"	25.00377
"1258236"	475.414586	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+CH3OH+H"	33.033486
"378515"	923.725358	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+K"	38.963158
"743643"	1366.106458	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+K"	38.963158
"1546790"	481.344258	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+K"	38.963158
"311255"	462.366317	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+H+K"	39.970434
"700762"	683.556867	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+H+K"	39.970434
"1457860"	241.175767	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H+K"	39.970434
"249744"	926.796026	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+ACN+H"	42.033826
"1222089"	484.414926	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+ACN+H"	42.033826
"1205244"	242.711101	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+ACN+2H"	43.041102
"195930"	929.73336	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+2Na-H"	44.97116
"637677"	1372.11446	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+2Na-H"	44.97116
"1143371"	487.35226	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2Na-H"	44.97116
"180462"	465.370318	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+2Na"	45.978436
"627687"	686.560868	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+2Na"	45.978436
"1130588"	244.179768	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2Na"	45.978436
"1413016"	163.122270666667	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H+2Na"	46.985712
"1440998"	489.393846	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H+HCOOH"	47.012746
"233982"	470.40334	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+3H2O+2H"	56.04448
"1522772"	503.44589	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+IsoProp+H"	61.06479
"421361"	473.357288	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+Na+K"	61.952376
"783816"	694.547838	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+Na+K"	61.952376
"1677594"	252.166738	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Na+K"	61.952376
"265208"	948.777968	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+ACN+Na"	64.015768
"1232812"	506.396868	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+ACN+Na"	64.015768
"1724979"	506.420393	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+NH4+HCOOH"	64.039293
"1189240"	170.449584666667	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+3Na"	68.967654
"1663145"	511.375788	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Na+HCOOH"	68.994688
"170732"	961.68124	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+2K-H"	76.91904
"610294"	1404.06234	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+2K-H"	76.91904
"1099420"	519.30014	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2K-H"	76.91904
"155269"	481.344258	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"2M+2K"	77.926316
"594097"	702.534808	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"3M+2K"	77.926316
"1081890"	260.153708	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2K"	77.926316
"1110726"	521.314692	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2K+H"	78.933592
"1339458"	521.402307	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+DMSO+H"	79.021207
"1009083"	525.441476	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2ACN+H"	83.060376
"1525873"	526.435108	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+IsoProp+Na+H"	84.054008
"991471"	263.224376	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+2ACN+2H"	84.067652
"1589258"	527.349728	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+K+HCOOH"	84.968628
"1414550"	557.381238	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+H+CF3COOH"	115.000138
"1149216"	283.737651	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+3ACN+2H"	125.094202
"1706792"	574.407785	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+NH4+CF3COOH"	132.026685
"1649005"	579.36318	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+Na+CF3COOH"	136.98208
"1574813"	595.33712	"C19942"	"11alpha-Hydroxy-beta-amyrin;11alpha-Dihydroxyolean-12-ene"	"C30H50O2"	"442.3811"	"M+K+CF3COOH"	152.95602
"805182"	440.3654	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M"	0
"979807"	421.34701	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-H2O-H"	-19.01839
"71331"	292.569657333333	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M-3H"	-3.021828
"511986"	439.358124	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M-3H"	-3.021828
"889787"	145.781190666667	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-3H"	-3.021828
"10550"	439.358124	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M-2H"	-2.014552
"444644"	659.540824	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M-2H"	-2.014552
"823540"	219.175424	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-2H"	-2.014552
"81346"	879.723524	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M-H"	-1.007276
"528560"	1320.088924	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M-H"	-1.007276
"909279"	439.358124	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-H"	-1.007276
"55272"	896.750071	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M-2H+NH4"	16.019271
"501639"	1337.115471	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M-2H+NH4"	16.019271
"879869"	456.384671	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-2H+NH4"	16.019271
"46942"	901.705466	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M-2H+Na"	20.974666
"486539"	1342.070866	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M-2H+Na"	20.974666
"862883"	461.340066	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-2H+Na"	20.974666
"1633269"	461.340066	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Na-2H"	20.974666
"103963"	457.346463	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M-H+Cl"	33.962126
"544617"	677.529163	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M-H+Cl"	33.962126
"938132"	237.163763	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-H+Cl"	33.962126
"273407"	915.700202	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+Cl"	34.969402
"669110"	1356.065602	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+Cl"	34.969402
"1283700"	475.334802	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Cl"	34.969402
"21881"	917.679406	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M-2H+K"	36.948606
"464722"	1358.044806	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M-2H+K"	36.948606
"844348"	477.314006	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-2H+K"	36.948606
"1563825"	477.314006	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+K-2H"	36.948606
"951706"	485.363594	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-H+HCOOH"	44.998194
"376736"	925.729001	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+HCOOH-H"	44.998201
"360375"	939.744651	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+Hac-H"	59.013851
"1502647"	499.379251	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Hac-H"	59.013851
"972745"	507.345551	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-H+NaCOOH"	66.980151
"122747"	475.334802	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+2Cl"	69.938804
"563040"	695.517502	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+2Cl"	69.938804
"1034757"	255.152102	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2Cl"	69.938804
"1253608"	519.284285	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Br"	78.918885
"1312776"	521.340272	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Cl+HCOOH"	80.974872
"1332456"	543.322229	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Cl+NaCOOH"	102.956829
"924609"	553.350986	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M-H+CF3COOH"	112.985586
"1300226"	589.327664	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Cl+CF3COOH"	148.962264
"1380209"	405.352724	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H-2H2O"	-35.012676
"1394787"	423.3627	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H-H2O"	-17.0027
"291197"	881.738076	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+H"	1.007276
"679244"	1322.103476	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+H"	1.007276
"1353405"	441.372676	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H"	1.007276
"132857"	441.372676	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+2H"	2.014552
"570593"	661.555376	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+2H"	2.014552
"1049964"	221.189976	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2H"	2.014552
"211304"	294.584209333333	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+3H"	3.021828
"650867"	441.372676	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+3H"	3.021828
"1170084"	147.795742666667	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+3H"	3.021828
"433355"	898.764623	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+NH4"	18.033823
"789972"	1339.130023	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+NH4"	18.033823
"1688493"	458.399223	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+NH4"	18.033823
"335313"	449.8859495	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+H+NH4"	19.041099
"728464"	670.0686495	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+H+NH4"	19.041099
"1481555"	229.7032495	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H+NH4"	19.041099
"397314"	903.720018	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+Na"	22.989218
"758313"	1344.085418	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+Na"	22.989218
"1605685"	463.354618	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Na"	22.989218
"318639"	452.363647	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+H+Na"	23.996494
"709238"	672.546347	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+H+Na"	23.996494
"1464880"	232.180947	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H+Na"	23.996494
"1055942"	155.123056666667	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2H+Na"	25.00377
"1260902"	473.398886	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+CH3OH+H"	33.033486
"384944"	919.693958	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+K"	38.963158
"752501"	1360.059358	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+K"	38.963158
"1553462"	479.328558	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+K"	38.963158
"311731"	460.350617	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+H+K"	39.970434
"706630"	680.533317	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+H+K"	39.970434
"1457970"	240.167917	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H+K"	39.970434
"248395"	922.764626	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+ACN+H"	42.033826
"1223292"	482.399226	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+ACN+H"	42.033826
"1206449"	241.703251	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+ACN+2H"	43.041102
"199320"	925.70196	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+2Na-H"	44.97116
"635600"	1366.06736	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+2Na-H"	44.97116
"1143844"	485.33656	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2Na-H"	44.97116
"182394"	463.354618	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+2Na"	45.978436
"627963"	683.537318	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+2Na"	45.978436
"1128749"	243.171918	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2Na"	45.978436
"1407898"	162.450370666667	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H+2Na"	46.985712
"1435640"	487.378146	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H+HCOOH"	47.012746
"235429"	468.38764	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+3H2O+2H"	56.04448
"1523572"	501.43019	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+IsoProp+H"	61.06479
"423173"	471.341588	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+Na+K"	61.952376
"784983"	691.524288	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+Na+K"	61.952376
"1680261"	251.158888	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Na+K"	61.952376
"263494"	944.746568	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+ACN+Na"	64.015768
"1239485"	504.381168	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+ACN+Na"	64.015768
"1725090"	504.404693	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+NH4+HCOOH"	64.039293
"1191539"	169.777684666667	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+3Na"	68.967654
"1664351"	509.360088	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Na+HCOOH"	68.994688
"170483"	957.64984	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+2K-H"	76.91904
"610773"	1398.01524	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+2K-H"	76.91904
"1099291"	517.28444	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2K-H"	76.91904
"154654"	479.328558	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"2M+2K"	77.926316
"594209"	699.511258	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"3M+2K"	77.926316
"1082731"	259.145858	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2K"	77.926316
"1114849"	519.298992	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2K+H"	78.933592
"1350501"	519.386607	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+DMSO+H"	79.021207
"1016847"	523.425776	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2ACN+H"	83.060376
"1527319"	524.419408	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+IsoProp+Na+H"	84.054008
"992674"	262.216526	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+2ACN+2H"	84.067652
"1589003"	525.334028	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+K+HCOOH"	84.968628
"1415268"	555.365538	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+H+CF3COOH"	115.000138
"1150785"	282.729801	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+3ACN+2H"	125.094202
"1709089"	572.392085	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+NH4+CF3COOH"	132.026685
"1646928"	577.34748	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+Na+CF3COOH"	136.98208
"1573830"	593.32142	"C19943"	"11-Oxo-beta-amyrin;3beta-Hydroxyolean-12-en-11-one"	"C30H48O2"	"440.3654"	"M+K+CF3COOH"	152.95602
"808575"	300.1725	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M"	0
"978827"	281.15411	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-H2O-H"	-19.01839
"67069"	199.107724	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M-3H"	-3.021828
"506629"	299.165224	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M-3H"	-3.021828
"882245"	99.050224	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-3H"	-3.021828
"9568"	299.165224	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M-2H"	-2.014552
"442566"	449.251474	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M-2H"	-2.014552
"822558"	149.078974	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-2H"	-2.014552
"88017"	599.337724	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M-H"	-1.007276
"531952"	899.510224	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M-H"	-1.007276
"910486"	299.165224	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-H"	-1.007276
"62311"	616.364271	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M-2H+NH4"	16.019271
"502358"	916.536771	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M-2H+NH4"	16.019271
"876756"	316.191771	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-2H+NH4"	16.019271
"45024"	621.319666	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M-2H+Na"	20.974666
"484585"	921.492166	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M-2H+Na"	20.974666
"861659"	321.147166	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-2H+Na"	20.974666
"1630825"	321.147166	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Na-2H"	20.974666
"107352"	317.153563	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M-H+Cl"	33.962126
"544727"	467.239813	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M-H+Cl"	33.962126
"939335"	167.067313	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-H+Cl"	33.962126
"276799"	635.314402	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+Cl"	34.969402
"671408"	935.486902	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+Cl"	34.969402
"1280528"	335.141902	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Cl"	34.969402
"24178"	637.293606	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M-2H+K"	36.948606
"467017"	937.466106	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M-2H+K"	36.948606
"839352"	337.121106	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-2H+K"	36.948606
"1566123"	337.121106	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+K-2H"	36.948606
"956926"	345.170694	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-H+HCOOH"	44.998194
"376887"	645.343201	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+HCOOH-H"	44.998201
"353924"	659.358851	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+Hac-H"	59.013851
"1502757"	359.186351	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Hac-H"	59.013851
"969940"	367.152651	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-H+NaCOOH"	66.980151
"122499"	335.141902	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+2Cl"	69.938804
"565099"	485.228152	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+2Cl"	69.938804
"1034141"	185.055652	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2Cl"	69.938804
"1255172"	379.091385	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Br"	78.918885
"1315069"	381.147372	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Cl+HCOOH"	80.974872
"1333659"	403.129329	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Cl+NaCOOH"	102.956829
"921438"	413.158086	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M-H+CF3COOH"	112.985586
"1299241"	449.134764	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Cl+CF3COOH"	148.962264
"1372301"	265.159824	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H-2H2O"	-35.012676
"1386883"	283.1698	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H-H2O"	-17.0027
"286932"	601.352276	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+H"	1.007276
"677528"	901.524776	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+H"	1.007276
"1353513"	301.179776	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H"	1.007276
"131870"	301.179776	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+2H"	2.014552
"572889"	451.266026	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+2H"	2.014552
"1042783"	151.093526	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2H"	2.014552
"210684"	201.122276	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+3H"	3.021828
"654254"	301.179776	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+3H"	3.021828
"1169098"	101.064776	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+3H"	3.021828
"427631"	618.378823	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+NH4"	18.033823
"791541"	918.551323	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+NH4"	18.033823
"1684588"	318.206323	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+NH4"	18.033823
"336149"	309.6930495	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+H+NH4"	19.041099
"724561"	459.7792995	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+H+NH4"	19.041099
"1480202"	159.6067995	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H+NH4"	19.041099
"396330"	623.334218	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+Na"	22.989218
"758420"	923.506718	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+Na"	22.989218
"1605065"	323.161718	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Na"	22.989218
"317654"	312.170747	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+H+Na"	23.996494
"708984"	462.256997	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+H+Na"	23.996494
"1463165"	162.084497	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H+Na"	23.996494
"1052931"	108.39209	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2H+Na"	25.00377
"1259919"	333.205986	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+CH3OH+H"	33.033486
"383962"	639.308158	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+K"	38.963158
"752612"	939.480658	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+K"	38.963158
"1545914"	339.135658	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+K"	38.963158
"309653"	320.157717	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+H+K"	39.970434
"700982"	470.243967	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+H+K"	39.970434
"1453708"	170.071467	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H+K"	39.970434
"245594"	642.378826	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+ACN+H"	42.033826
"1219396"	342.206326	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+ACN+H"	42.033826
"1204373"	171.606801	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+ACN+2H"	43.041102
"196150"	645.31616	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+2Na-H"	44.97116
"637166"	945.48866	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+2Na-H"	44.97116
"1137029"	345.14366	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2Na-H"	44.97116
"188229"	323.161718	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+2Na"	45.978436
"627298"	473.247968	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+2Na"	45.978436
"1127766"	173.075468	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2Na"	45.978436
"1411290"	115.719404	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H+2Na"	46.985712
"1437938"	347.185246	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H+HCOOH"	47.012746
"233101"	328.19474	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+3H2O+2H"	56.04448
"1523485"	361.23729	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+IsoProp+H"	61.06479
"423656"	331.148688	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+Na+K"	61.952376
"784035"	481.234938	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+Na+K"	61.952376
"1678907"	181.062438	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Na+K"	61.952376
"266889"	664.360768	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+ACN+Na"	64.015768
"1238865"	364.188268	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+ACN+Na"	64.015768
"1727022"	364.211793	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+NH4+HCOOH"	64.039293
"1192016"	123.046718	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+3Na"	68.967654
"1664825"	369.167188	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Na+HCOOH"	68.994688
"172739"	677.26404	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+2K-H"	76.91904
"611609"	977.43654	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+2K-H"	76.91904
"1097821"	377.09154	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2K-H"	76.91904
"155487"	339.135658	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"2M+2K"	77.926316
"591041"	489.221908	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"3M+2K"	77.926316
"1079929"	189.049408	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2K"	77.926316
"1110585"	379.106092	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2K+H"	78.933592
"1342959"	379.193707	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+DMSO+H"	79.021207
"1007236"	383.232876	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2ACN+H"	83.060376
"1526339"	384.226508	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+IsoProp+Na+H"	84.054008
"992784"	192.120076	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+2ACN+2H"	84.067652
"1589478"	385.141128	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+K+HCOOH"	84.968628
"1420609"	415.172638	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+H+CF3COOH"	115.000138
"1151992"	212.633351	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+3ACN+2H"	125.094202
"1704827"	432.199185	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+NH4+CF3COOH"	132.026685
"1645947"	437.15458	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+Na+CF3COOH"	136.98208
"1572118"	453.12852	"C19944"	"3-Hydroxy-910-secoandrosta-135(10)-triene-917-dione;Secophenol"	"C19H24O3"	"300.1725"	"M+K+CF3COOH"	152.95602
"811963"	935.1575	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M"	0
"982215"	916.13911	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-H2O-H"	-19.01839
"66084"	622.431057333333	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M-3H"	-3.021828
"512205"	934.150224	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M-3H"	-3.021828
"884542"	310.711890666667	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-3H"	-3.021828
"9678"	934.150224	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M-2H"	-2.014552
"443769"	1401.728974	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M-2H"	-2.014552
"828865"	466.571474	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-2H"	-2.014552
"91409"	1869.307724	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M-H"	-1.007276
"531944"	2804.465224	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M-H"	-1.007276
"907680"	934.150224	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-H"	-1.007276
"60840"	1886.334271	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M-2H+NH4"	16.019271
"498335"	2821.491771	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M-2H+NH4"	16.019271
"876866"	951.176771	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-2H+NH4"	16.019271
"44647"	1891.289666	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M-2H+Na"	20.974666
"476309"	2826.447166	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M-2H+Na"	20.974666
"857027"	956.132166	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-2H+Na"	20.974666
"1625467"	956.132166	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Na-2H"	20.974666
"100901"	952.138563	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M-H+Cl"	33.962126
"540460"	1419.717313	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M-H+Cl"	33.962126
"931788"	484.559813	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-H+Cl"	33.962126
"279091"	1905.284402	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+Cl"	34.969402
"667139"	2840.441902	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+Cl"	34.969402
"1285011"	970.126902	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Cl"	34.969402
"24286"	1907.263606	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M-2H+K"	36.948606
"467127"	2842.421106	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M-2H+K"	36.948606
"843834"	972.106106	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-2H+K"	36.948606
"1565137"	972.106106	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+K-2H"	36.948606
"949745"	980.155694	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-H+HCOOH"	44.998194
"373794"	1915.313201	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+HCOOH-H"	44.998201
"354034"	1929.328851	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+Hac-H"	59.013851
"1501774"	994.171351	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Hac-H"	59.013851
"972600"	1002.137651	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-H+NaCOOH"	66.980151
"119324"	970.126902	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+2Cl"	69.938804
"562166"	1437.705652	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+2Cl"	69.938804
"1035345"	502.548152	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2Cl"	69.938804
"1252733"	1014.076385	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Br"	78.918885
"1312992"	1016.132372	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Cl+HCOOH"	80.974872
"1331583"	1038.114329	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Cl+NaCOOH"	102.956829
"921548"	1048.143086	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M-H+CF3COOH"	112.985586
"1298258"	1084.119764	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Cl+CF3COOH"	148.962264
"1375327"	900.144824	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H-2H2O"	-35.012676
"1391733"	918.1548	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H-H2O"	-17.0027
"293604"	1871.322276	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+H"	1.007276
"679462"	2806.479776	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+H"	1.007276
"1355810"	936.164776	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H"	1.007276
"128698"	936.164776	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+2H"	2.014552
"572635"	1403.743526	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+2H"	2.014552
"1042893"	468.586026	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2H"	2.014552
"208242"	624.445609333333	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+3H"	3.021828
"656551"	936.164776	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+3H"	3.021828
"1176500"	312.726442666667	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+3H"	3.021828
"431387"	1888.348823	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+NH4"	18.033823
"791653"	2823.506323	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+NH4"	18.033823
"1685066"	953.191323	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+NH4"	18.033823
"335531"	944.6780495	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+H+NH4"	19.041099
"727223"	1412.2567995	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+H+NH4"	19.041099
"1480679"	477.0992995	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H+NH4"	19.041099
"397534"	1893.304218	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+Na"	22.989218
"758530"	2828.461718	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+Na"	22.989218
"1605540"	958.146718	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Na"	22.989218
"317035"	947.155747	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+H+Na"	23.996494
"711280"	1414.734497	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+H+Na"	23.996494
"1463640"	479.576997	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H+Na"	23.996494
"1055070"	320.053756666667	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2H+Na"	25.00377
"1260029"	968.190986	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+CH3OH+H"	33.033486
"386259"	1909.278158	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+K"	38.963158
"748349"	2844.435658	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+K"	38.963158
"1548211"	974.120658	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+K"	38.963158
"311586"	955.142717	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+H+K"	39.970434
"704372"	1422.721467	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+H+K"	39.970434
"1456006"	487.563967	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H+K"	39.970434
"250322"	1912.348826	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+ACN+H"	42.033826
"1223878"	977.191326	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+ACN+H"	42.033826
"1204479"	489.099301	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+ACN+2H"	43.041102
"197351"	1915.28616	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+2Na-H"	44.97116
"640558"	2850.44366	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+2Na-H"	44.97116
"1141508"	980.12866	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2Na-H"	44.97116
"188098"	958.146718	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+2Na"	45.978436
"627408"	1425.725468	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+2Na"	45.978436
"1127876"	490.567968	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2Na"	45.978436
"1411400"	327.381070666667	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H+2Na"	46.985712
"1440235"	982.170246	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H+HCOOH"	47.012746
"234307"	963.17974	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+3H2O+2H"	56.04448
"1522382"	996.22229	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+IsoProp+H"	61.06479
"423402"	966.133688	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+Na+K"	61.952376
"783416"	1433.712438	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+Na+K"	61.952376
"1679017"	498.554938	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Na+K"	61.952376
"265538"	1934.330768	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+ACN+Na"	64.015768
"1240683"	999.173268	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+ACN+Na"	64.015768
"1726407"	999.196793	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+NH4+HCOOH"	64.039293
"1191762"	334.708384666667	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+3Na"	68.967654
"1664572"	1004.152188	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Na+HCOOH"	68.994688
"170704"	1947.23404	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+2K-H"	76.91904
"609539"	2882.39154	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+2K-H"	76.91904
"1098181"	1012.07654	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2K-H"	76.91904
"155846"	974.120658	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"2M+2K"	77.926316
"591149"	1441.699408	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"3M+2K"	77.926316
"1080039"	506.541908	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2K"	77.926316
"1111060"	1014.091092	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2K+H"	78.933592
"1345256"	1014.178707	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+DMSO+H"	79.021207
"1009411"	1018.217876	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2ACN+H"	83.060376
"1526449"	1019.211508	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+IsoProp+Na+H"	84.054008
"992895"	509.612576	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+2ACN+2H"	84.067652
"1590681"	1020.126128	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+K+HCOOH"	84.968628
"1420719"	1050.157638	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+H+CF3COOH"	115.000138
"1151008"	530.125851	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+3ACN+2H"	125.094202
"1700563"	1067.184185	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+NH4+CF3COOH"	132.026685
"1646057"	1072.13958	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+Na+CF3COOH"	136.98208
"1584988"	1088.11352	"C19945"	"3-Oxo-56-dehydrosuberyl-CoA;3-Oxo-56-didehydrosuberoyl-CoA"	"C29H44N7O20P3S"	"935.1575"	"M+K+CF3COOH"	152.95602
"812075"	919.1626	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M"	0
"980140"	900.14421	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-H2O-H"	-19.01839
"66561"	611.767790666667	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M-3H"	-3.021828
"505027"	918.155324	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M-3H"	-3.021828
"886842"	305.380257333333	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-3H"	-3.021828
"9789"	918.155324	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M-2H"	-2.014552
"444974"	1377.736624	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M-2H"	-2.014552
"828247"	458.574024	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-2H"	-2.014552
"84958"	1837.317924	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M-H"	-1.007276
"533026"	2756.480524	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M-H"	-1.007276
"909854"	918.155324	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-H"	-1.007276
"61071"	1854.344471	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M-2H+NH4"	16.019271
"498445"	2773.507071	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M-2H+NH4"	16.019271
"874060"	935.181871	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-2H+NH4"	16.019271
"38681"	1859.299866	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M-2H+Na"	20.974666
"482616"	2778.462466	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M-2H+Na"	20.974666
"857137"	940.137266	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-2H+Na"	20.974666
"1627764"	940.137266	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Na-2H"	20.974666
"101374"	936.143663	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M-H+Cl"	33.962126
"539476"	1395.724963	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M-H+Cl"	33.962126
"930074"	476.562363	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-H+Cl"	33.962126
"278106"	1873.294602	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+Cl"	34.969402
"667248"	2792.457202	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+Cl"	34.969402
"1281839"	954.132002	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Cl"	34.969402
"28770"	1875.273806	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M-2H+K"	36.948606
"466143"	2794.436406	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M-2H+K"	36.948606
"840673"	956.111206	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-2H+K"	36.948606
"1558693"	956.111206	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+K-2H"	36.948606
"952044"	964.160794	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-H+HCOOH"	44.998194
"374635"	1883.323401	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+HCOOH-H"	44.998201
"351958"	1897.339051	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+Hac-H"	59.013851
"1498602"	978.176451	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Hac-H"	59.013851
"971616"	986.142751	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-H+NaCOOH"	66.980151
"121619"	954.132002	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+2Cl"	69.938804
"555714"	1413.713302	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+2Cl"	69.938804
"1027793"	494.550702	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2Cl"	69.938804
"1250653"	998.081485	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Br"	78.918885
"1313106"	1000.137472	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Cl+HCOOH"	80.974872
"1330599"	1022.119429	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Cl+NaCOOH"	102.956829
"919474"	1032.148186	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M-H+CF3COOH"	112.985586
"1298370"	1068.124864	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Cl+CF3COOH"	148.962264
"1376529"	884.149924	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H-2H2O"	-35.012676
"1392930"	902.1599	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H-H2O"	-17.0027
"290432"	1839.332476	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+H"	1.007276
"678481"	2758.495076	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+H"	1.007276
"1363578"	920.169876	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H"	1.007276
"132094"	920.169876	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+2H"	2.014552
"569830"	1379.751176	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+2H"	2.014552
"1050291"	460.588576	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2H"	2.014552
"212726"	613.782342666667	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+3H"	3.021828
"651554"	920.169876	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+3H"	3.021828
"1168590"	307.394809333333	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+3H"	3.021828
"432223"	1856.359023	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+NH4"	18.033823
"791761"	2775.521623	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+NH4"	18.033823
"1684447"	937.196423	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+NH4"	18.033823
"331632"	928.6831495	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+H+NH4"	19.041099
"725146"	1388.2644495	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+H+NH4"	19.041099
"1480790"	469.1018495	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H+NH4"	19.041099
"397647"	1861.314418	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+Na"	22.989218
"757550"	2780.477018	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+Na"	22.989218
"1605651"	942.151818	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Na"	22.989218
"317874"	931.160847	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+H+Na"	23.996494
"710299"	1390.742147	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+H+Na"	23.996494
"1463388"	471.579547	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H+Na"	23.996494
"1055180"	314.722123333333	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2H+Na"	25.00377
"1260138"	952.196086	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+CH3OH+H"	33.033486
"389646"	1877.288358	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+K"	38.963158
"741167"	2796.450958	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+K"	38.963158
"1552695"	958.125758	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+K"	38.963158
"304406"	939.147817	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+H+K"	39.970434
"699015"	1398.729117	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+H+K"	39.970434
"1458302"	479.566517	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H+K"	39.970434
"240343"	1880.359026	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+ACN+H"	42.033826
"1217424"	961.196426	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+ACN+H"	42.033826
"1205681"	481.101851	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+ACN+2H"	43.041102
"196366"	1883.29636	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+2Na-H"	44.97116
"637028"	2802.45896	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+2Na-H"	44.97116
"1146133"	964.13376	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2Na-H"	44.97116
"186746"	942.151818	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+2Na"	45.978436
"626793"	1401.733118	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+2Na"	45.978436
"1128961"	482.570518	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2Na"	45.978436
"1409322"	322.049437333333	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H+2Na"	46.985712
"1440345"	966.175346	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H+HCOOH"	47.012746
"235533"	947.18484	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+3H2O+2H"	56.04448
"1520294"	980.22739	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+IsoProp+H"	61.06479
"422165"	950.138788	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+Na+K"	61.952376
"785109"	1409.720088	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+Na+K"	61.952376
"1681076"	490.557488	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Na+K"	61.952376
"266141"	1902.340968	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+ACN+Na"	64.015768
"1240551"	983.178368	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+ACN+Na"	64.015768
"1726514"	983.201893	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+NH4+HCOOH"	64.039293
"1192234"	329.376751333333	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+3Na"	68.967654
"1664802"	988.157288	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Na+HCOOH"	68.994688
"171783"	1915.24424	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+2K-H"	76.91904
"611099"	2834.40684	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+2K-H"	76.91904
"1095248"	996.08164	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2K-H"	76.91904
"154615"	958.125758	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"2M+2K"	77.926316
"592351"	1417.707058	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"3M+2K"	77.926316
"1080145"	498.544458	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2K"	77.926316
"1107888"	998.096192	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2K+H"	78.933592
"1337710"	998.183807	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+DMSO+H"	79.021207
"1008435"	1002.222976	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2ACN+H"	83.060376
"1525827"	1003.216608	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+IsoProp+Na+H"	84.054008
"995200"	501.615126	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+2ACN+2H"	84.067652
"1590795"	1004.131228	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+K+HCOOH"	84.968628
"1415723"	1034.162738	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+H+CF3COOH"	115.000138
"1150030"	522.128401	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+3ACN+2H"	125.094202
"1700674"	1051.189285	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+NH4+CF3COOH"	132.026685
"1643980"	1056.14468	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+Na+CF3COOH"	136.98208
"1585098"	1072.11862	"C19946"	"3-Oxo-56-dehydrosuberyl-CoA semialdehyde"	"C29H44N7O19P3S"	"919.1626"	"M+K+CF3COOH"	152.95602
"812182"	547.0968	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M"	0
"980250"	528.07841	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H2O-H"	-19.01839
"66307"	363.723924	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-3H"	-3.021828
"504893"	546.089524	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-3H"	-3.021828
"885857"	181.358324	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-3H"	-3.021828
"6619"	546.089524	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H"	-2.014552
"445084"	819.637924	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H"	-2.014552
"820701"	272.541124	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H"	-2.014552
"85068"	1093.186324	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-H"	-1.007276
"523534"	1640.283124	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-H"	-1.007276
"903523"	546.089524	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H"	-1.007276
"55713"	1110.212871	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+NH4"	16.019271
"496368"	1657.309671	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+NH4"	16.019271
"874170"	563.116071	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H+NH4"	16.019271
"38791"	1115.168266	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+Na"	20.974666
"479446"	1662.265066	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+Na"	20.974666
"857247"	568.071466	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H+Na"	20.974666
"1626051"	568.071466	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na-2H"	20.974666
"101120"	564.077863	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-H+Cl"	33.962126
"540680"	837.626263	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-H+Cl"	33.962126
"932007"	290.529463	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+Cl"	33.962126
"278216"	1129.163002	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Cl"	34.969402
"664078"	1676.259802	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+Cl"	34.969402
"1281949"	582.066202	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl"	34.969402
"26693"	1131.142206	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M-2H+K"	36.948606
"466253"	1678.239006	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M-2H+K"	36.948606
"840782"	584.045406	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-2H+K"	36.948606
"1558802"	584.045406	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K-2H"	36.948606
"949967"	592.094994	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+HCOOH"	44.998194
"372559"	1139.191801	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+HCOOH-H"	44.998201
"352068"	1153.207451	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Hac-H"	59.013851
"1498712"	606.110651	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Hac-H"	59.013851
"971362"	614.076951	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+NaCOOH"	66.980151
"120633"	582.066202	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2Cl"	69.938804
"555825"	855.614602	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2Cl"	69.938804
"1024623"	308.517802	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2Cl"	69.938804
"1250763"	626.015685	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Br"	78.918885
"1314308"	628.071672	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+HCOOH"	80.974872
"1329616"	650.053629	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+NaCOOH"	102.956829
"919584"	660.082386	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M-H+CF3COOH"	112.985586
"1298480"	696.059064	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Cl+CF3COOH"	148.962264
"1372266"	512.084124	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H-2H2O"	-35.012676
"1389760"	530.0941	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H-H2O"	-17.0027
"287261"	1095.200876	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H"	1.007276
"678591"	1642.297676	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H"	1.007276
"1359315"	548.104076	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H"	1.007276
"131110"	548.104076	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2H"	2.014552
"572855"	821.652476	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2H"	2.014552
"1044934"	274.555676	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2H"	2.014552
"212835"	365.738476	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+3H"	3.021828
"650207"	548.104076	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+3H"	3.021828
"1166877"	183.372876	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+3H"	3.021828
"429417"	1112.227423	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+NH4"	18.033823
"794058"	1659.324223	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+NH4"	18.033823
"1687109"	565.130623	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+NH4"	18.033823
"331014"	556.6173495	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H+NH4"	19.041099
"725622"	830.1657495	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H+NH4"	19.041099
"1479807"	283.0689495	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+NH4"	19.041099
"397756"	1117.182818	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Na"	22.989218
"758753"	1664.279618	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+Na"	22.989218
"1606855"	570.086018	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na"	22.989218
"316891"	559.095047	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H+Na"	23.996494
"710409"	832.643447	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H+Na"	23.996494
"1466415"	285.546647	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+Na"	23.996494
"1056383"	190.70019	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2H+Na"	25.00377
"1262434"	580.130286	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+CH3OH+H"	33.033486
"389756"	1133.156758	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+K"	38.963158
"743099"	1680.253558	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+K"	38.963158
"1554626"	586.059958	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K"	38.963158
"304516"	567.082017	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+H+K"	39.970434
"700218"	840.630417	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+H+K"	39.970434
"1460964"	293.533617	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+K"	39.970434
"241545"	1136.227426	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+H"	42.033826
"1218629"	589.130626	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+H"	42.033826
"1205791"	295.068951	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+2H"	43.041102
"194289"	1139.16476	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na-H"	44.97116
"634951"	1686.26156	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na-H"	44.97116
"1146484"	592.06796	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2Na-H"	44.97116
"186247"	570.086018	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2Na"	45.978436
"626903"	843.634418	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2Na"	45.978436
"1127733"	296.537618	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2Na"	45.978436
"1408338"	198.027504	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+2Na"	46.985712
"1439362"	594.109546	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+HCOOH"	47.012746
"235144"	575.11904	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+3H2O+2H"	56.04448
"1519310"	608.16159	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+H"	61.06479
"422519"	578.072988	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+Na+K"	61.952376
"785216"	851.621388	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+Na+K"	61.952376
"1680700"	304.524588	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na+K"	61.952376
"266616"	1158.209368	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+ACN+Na"	64.015768
"1239928"	611.112568	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+ACN+Na"	64.015768
"1726991"	611.136093	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+HCOOH"	64.039293
"1192709"	205.354818	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+3Na"	68.967654
"1665159"	616.091488	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na+HCOOH"	68.994688
"171288"	1171.11264	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2K-H"	76.91904
"611576"	1718.20944	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2K-H"	76.91904
"1097181"	624.01584	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2K-H"	76.91904
"151809"	586.059958	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"2M+2K"	77.926316
"591368"	859.608358	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"3M+2K"	77.926316
"1078435"	312.511558	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2K"	77.926316
"1106904"	626.030392	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2K+H"	78.933592
"1337821"	626.118007	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+DMSO+H"	79.021207
"1008545"	630.157176	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+H"	83.060376
"1525815"	631.150808	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+IsoProp+Na+H"	84.054008
"993124"	315.582226	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+2ACN+2H"	84.067652
"1591998"	632.065428	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K+HCOOH"	84.968628
"1416564"	662.096938	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+H+CF3COOH"	115.000138
"1149047"	336.095501	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+3ACN+2H"	125.094202
"1699691"	679.123485	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+NH4+CF3COOH"	132.026685
"1640810"	684.07888	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+Na+CF3COOH"	136.98208
"1585208"	700.05282	"C19947"	"dTDP-3-amino-36-dideoxy-alpha-D-galactopyranose"	"C16H27N3O14P2"	"547.0968"	"M+K+CF3COOH"	152.95602
"812292"	575.1281	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M"	0
"982547"	556.10971	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-H2O-H"	-19.01839
"68604"	382.411457333333	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M-3H"	-3.021828
"507070"	574.120824	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M-3H"	-3.021828
"887061"	190.702090666667	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-3H"	-3.021828
"8916"	574.120824	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H"	-2.014552
"445194"	861.684874	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H"	-2.014552
"821904"	286.556774	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H"	-2.014552
"81896"	1149.248924	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M-H"	-1.007276
"520363"	1724.377024	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M-H"	-1.007276
"898528"	574.120824	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-H"	-1.007276
"49626"	1166.275471	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H+NH4"	16.019271
"496478"	1741.403571	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H+NH4"	16.019271
"874280"	591.147371	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H+NH4"	16.019271
"38901"	1171.230866	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H+Na"	20.974666
"479555"	1746.358966	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H+Na"	20.974666
"857357"	596.102766	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H+Na"	20.974666
"1623245"	596.102766	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na-2H"	20.974666
"104512"	592.109163	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M-H+Cl"	33.962126
"546256"	879.673213	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M-H+Cl"	33.962126
"932117"	304.545113	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+Cl"	33.962126
"279420"	1185.225602	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Cl"	34.969402
"663093"	1760.353702	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+Cl"	34.969402
"1278779"	610.097502	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl"	34.969402
"22429"	1187.204806	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H+K"	36.948606
"466363"	1762.332906	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H+K"	36.948606
"840892"	612.076706	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H+K"	36.948606
"1560005"	612.076706	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+K-2H"	36.948606
"950077"	620.126294	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+HCOOH"	44.998194
"373398"	1195.254401	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+HCOOH-H"	44.998201
"352178"	1209.270051	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Hac-H"	59.013851
"1499915"	634.141951	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Hac-H"	59.013851
"964178"	642.108251	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+NaCOOH"	66.980151
"120743"	610.097502	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2Cl"	69.938804
"554841"	897.661552	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2Cl"	69.938804
"1025827"	322.533452	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2Cl"	69.938804
"1244312"	654.046985	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Br"	78.918885
"1313324"	656.102972	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl+HCOOH"	80.974872
"1325352"	678.084929	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl+NaCOOH"	102.956829
"919694"	688.113686	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+CF3COOH"	112.985586
"1294216"	724.090364	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl+CF3COOH"	148.962264
"1368365"	540.115424	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H-2H2O"	-35.012676
"1385495"	558.1254	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H-H2O"	-17.0027
"284454"	1151.263476	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H"	1.007276
"679429"	1726.391576	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H"	1.007276
"1354321"	576.135376	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H"	1.007276
"129396"	576.135376	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2H"	2.014552
"568954"	863.699426	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2H"	2.014552
"1046138"	288.571326	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2H"	2.014552
"208570"	384.426009333333	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+3H"	3.021828
"645212"	576.135376	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+3H"	3.021828
"1166622"	192.716642666667	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+3H"	3.021828
"426977"	1168.290023	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+NH4"	18.033823
"787606"	1743.418123	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+NH4"	18.033823
"1682599"	593.161923	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+NH4"	18.033823
"331121"	584.6486495	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H+NH4"	19.041099
"725001"	872.2126995	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H+NH4"	19.041099
"1479188"	297.0845995	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+NH4"	19.041099
"394584"	1173.245418	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Na"	22.989218
"755584"	1748.373518	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+Na"	22.989218
"1603926"	598.117318	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na"	22.989218
"316026"	587.126347	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H+Na"	23.996494
"708331"	874.690397	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H+Na"	23.996494
"1463238"	299.562297	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+Na"	23.996494
"1053327"	200.043956666667	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2H+Na"	25.00377
"1258532"	608.161586	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+CH3OH+H"	33.033486
"381481"	1189.219358	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+K"	38.963158
"744301"	1764.347458	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+K"	38.963158
"1544533"	614.091258	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+K"	38.963158
"304625"	595.113317	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H+K"	39.970434
"695954"	882.677367	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H+K"	39.970434
"1456335"	307.549267	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+K"	39.970434
"240561"	1192.290026	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+ACN+H"	42.033826
"1212178"	617.161926	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+ACN+H"	42.033826
"1201527"	309.084601	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+ACN+2H"	43.041102
"193306"	1195.22736	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2Na-H"	44.97116
"635061"	1770.35546	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2Na-H"	44.97116
"1146474"	620.09926	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2Na-H"	44.97116
"187327"	598.117318	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2Na"	45.978436
"625792"	885.681368	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2Na"	45.978436
"1126019"	310.553268	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2Na"	45.978436
"1406261"	207.371270666667	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+2Na"	46.985712
"1439472"	622.140846	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+HCOOH"	47.012746
"234879"	603.15034	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+3H2O+2H"	56.04448
"1517233"	636.19289	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+IsoProp+H"	61.06479
"423357"	606.104288	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Na+K"	61.952376
"785327"	893.668338	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+Na+K"	61.952376
"1681136"	318.540238	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na+K"	61.952376
"266722"	1214.271968	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+ACN+Na"	64.015768
"1237845"	639.143868	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+ACN+Na"	64.015768
"1726371"	639.167393	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+NH4+HCOOH"	64.039293
"1192089"	214.698584666667	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+3Na"	68.967654
"1664783"	644.122788	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na+HCOOH"	68.994688
"171761"	1227.17524	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2K-H"	76.91904
"609862"	1802.30334	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2K-H"	76.91904
"1094375"	652.04714	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2K-H"	76.91904
"152284"	614.091258	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2K"	77.926316
"589292"	901.655308	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2K"	77.926316
"1078909"	326.527208	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2K"	77.926316
"1107014"	654.061692	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2K+H"	78.933592
"1335984"	654.149307	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+DMSO+H"	79.021207
"1007926"	658.188476	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2ACN+H"	83.060376
"1526775"	659.182108	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+IsoProp+Na+H"	84.054008
"992141"	329.597876	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+2ACN+2H"	84.067652
"1593201"	660.096728	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+K+HCOOH"	84.968628
"1417767"	690.128238	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+CF3COOH"	115.000138
"1149157"	350.111151	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+3ACN+2H"	125.094202
"1699801"	707.154785	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+NH4+CF3COOH"	132.026685
"1640920"	712.11018	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na+CF3COOH"	136.98208
"1585318"	728.08412	"C19948"	"dTDP-3-dimethylamino-36-dideoxy-alpha-D-galactopyranose;dTDP-D-ravidosamine"	"C18H31N3O14P2"	"575.1281"	"M+K+CF3COOH"	152.95602
"812402"	310.0801	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M"	0
"982658"	291.06171	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-H2O-H"	-19.01839
"69807"	205.712790666667	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M-3H"	-3.021828
"507180"	309.072824	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M-3H"	-3.021828
"890452"	102.352757333333	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-3H"	-3.021828
"9026"	309.072824	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M-2H"	-2.014552
"446399"	464.112874	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M-2H"	-2.014552
"823106"	154.032774	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-2H"	-2.014552
"83100"	619.152924	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M-H"	-1.007276
"525941"	929.233024	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M-H"	-1.007276
"903743"	309.072824	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-H"	-1.007276
"55933"	636.179471	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M-2H+NH4"	16.019271
"496588"	946.259571	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M-2H+NH4"	16.019271
"877549"	326.099371	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-2H+NH4"	16.019271
"39011"	641.134866	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M-2H+Na"	20.974666
"482944"	951.214966	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M-2H+Na"	20.974666
"858562"	331.054766	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-2H+Na"	20.974666
"1628094"	331.054766	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Na-2H"	20.974666
"104622"	327.061163	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M-H+Cl"	33.962126
"545274"	482.101213	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M-H+Cl"	33.962126
"934414"	172.021113	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-H+Cl"	33.962126
"279533"	655.129602	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+Cl"	34.969402
"669765"	965.209702	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+Cl"	34.969402
"1281076"	345.049502	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Cl"	34.969402
"25819"	657.108806	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M-2H+K"	36.948606
"468660"	967.188906	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M-2H+K"	36.948606
"842096"	347.028706	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-2H+K"	36.948606
"1560115"	347.028706	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+K-2H"	36.948606
"950187"	355.078294	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-H+HCOOH"	44.998194
"372777"	665.158401	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+HCOOH-H"	44.998201
"352288"	679.174051	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+Hac-H"	59.013851
"1500025"	369.093951	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Hac-H"	59.013851
"964288"	377.060251	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-H+NaCOOH"	66.980151
"113195"	345.049502	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+2Cl"	69.938804
"559324"	500.089552	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+2Cl"	69.938804
"1030310"	190.009452	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2Cl"	69.938804
"1249890"	388.998985	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Br"	78.918885
"1313434"	391.054972	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Cl+HCOOH"	80.974872
"1327649"	413.036929	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Cl+NaCOOH"	102.956829
"923083"	423.065686	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M-H+CF3COOH"	112.985586
"1294690"	459.042364	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Cl+CF3COOH"	148.962264
"1370663"	275.067424	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H-2H2O"	-35.012676
"1386702"	293.0774	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H-H2O"	-17.0027
"289671"	621.167476	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+H"	1.007276
"681001"	931.247576	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+H"	1.007276
"1357349"	311.087376	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H"	1.007276
"132424"	311.087376	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+2H"	2.014552
"573076"	466.127426	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+2H"	2.014552
"1044064"	156.047326	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2H"	2.014552
"211964"	207.727342666667	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+3H"	3.021828
"650061"	311.087376	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+3H"	3.021828
"1167461"	104.367309333333	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+3H"	3.021828
"430004"	638.194023	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+NH4"	18.033823
"790269"	948.274123	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+NH4"	18.033823
"1684413"	328.113923	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+NH4"	18.033823
"330870"	319.6006495	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+H+NH4"	19.041099
"725842"	474.6406995	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+H+NH4"	19.041099
"1479302"	164.5605995	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H+NH4"	19.041099
"395794"	643.149418	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+Na"	22.989218
"755697"	953.229518	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+Na"	22.989218
"1605983"	333.069318	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Na"	22.989218
"316018"	322.078347	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+H+Na"	23.996494
"712817"	477.118397	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+H+Na"	23.996494
"1465542"	167.038297	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H+Na"	23.996494
"1059882"	111.694623333333	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2H+Na"	25.00377
"1260830"	343.113586	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+CH3OH+H"	33.033486
"383415"	659.123358	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+K"	38.963158
"744413"	969.203458	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+K"	38.963158
"1551572"	349.043258	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+K"	38.963158
"306921"	330.065317	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+H+K"	39.970434
"699344"	485.105367	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+H+K"	39.970434
"1457904"	175.025267	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H+K"	39.970434
"243953"	662.194026	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+ACN+H"	42.033826
"1217755"	352.113926	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+ACN+H"	42.033826
"1204919"	176.560601	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+ACN+2H"	43.041102
"193416"	665.13136	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+2Na-H"	44.97116
"633348"	975.21146	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+2Na-H"	44.97116
"1146964"	355.05126	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2Na-H"	44.97116
"188046"	333.069318	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+2Na"	45.978436
"622986"	488.109368	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+2Na"	45.978436
"1123942"	178.029268	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2Na"	45.978436
"1408560"	119.021937333333	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H+2Na"	46.985712
"1442863"	357.092846	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H+HCOOH"	47.012746
"235595"	338.10234	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+3H2O+2H"	56.04448
"1518438"	371.14489	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+IsoProp+H"	61.06479
"423347"	341.056288	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+Na+K"	61.952376
"785618"	496.096338	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+Na+K"	61.952376
"1678729"	186.016238	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Na+K"	61.952376
"264885"	684.175968	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+ACN+Na"	64.015768
"1237959"	374.095868	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+ACN+Na"	64.015768
"1725751"	374.119393	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+NH4+HCOOH"	64.039293
"1188920"	126.349251333333	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+3Na"	68.967654
"1661001"	379.074788	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Na+HCOOH"	68.994688
"168957"	697.07924	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+2K-H"	76.91904
"604145"	1007.15934	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+2K-H"	76.91904
"1097035"	386.99914	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2K-H"	76.91904
"153849"	349.043258	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"2M+2K"	77.926316
"593774"	504.083308	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"3M+2K"	77.926316
"1079381"	194.003208	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2K"	77.926316
"1111865"	389.013692	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2K+H"	78.933592
"1346793"	389.101307	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+DMSO+H"	79.021207
"1010945"	393.140476	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2ACN+H"	83.060376
"1526883"	394.134108	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+IsoProp+Na+H"	84.054008
"991388"	197.073876	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+2ACN+2H"	84.067652
"1588077"	395.048728	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+K+HCOOH"	84.968628
"1416780"	425.080238	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+H+CF3COOH"	115.000138
"1153634"	217.587151	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+3ACN+2H"	125.094202
"1702097"	442.106785	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+NH4+CF3COOH"	132.026685
"1644311"	447.06218	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+Na+CF3COOH"	136.98208
"1585428"	463.03612	"C19949"	"Acromelic acid A"	"C13H14N2O7"	"310.0801"	"M+K+CF3COOH"	152.95602
"811419"	305.2355	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M"	0
"977300"	286.21711	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-H2O-H"	-19.01839
"63435"	202.483057333333	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M-3H"	-3.021828
"508386"	304.228224	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M-3H"	-3.021828
"887283"	100.737890666667	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-3H"	-3.021828
"6949"	304.228224	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M-2H"	-2.014552
"444323"	456.845974	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M-2H"	-2.014552
"821030"	151.610474	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-2H"	-2.014552
"85398"	609.463724	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M-H"	-1.007276
"528240"	914.699224	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M-H"	-1.007276
"906042"	304.228224	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-H"	-1.007276
"53858"	626.490271	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M-2H+NH4"	16.019271
"493417"	931.725771	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M-2H+NH4"	16.019271
"875230"	321.254771	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-2H+NH4"	16.019271
"35839"	631.445666	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M-2H+Na"	20.974666
"480868"	936.681166	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M-2H+Na"	20.974666
"853566"	326.210166	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-2H+Na"	20.974666
"1626017"	326.210166	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Na-2H"	20.974666
"99265"	322.216563	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M-H+Cl"	33.962126
"534935"	474.834313	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M-H+Cl"	33.962126
"927307"	169.598813	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-H+Cl"	33.962126
"273084"	645.440402	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+Cl"	34.969402
"662223"	950.675902	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+Cl"	34.969402
"1277907"	340.204902	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Cl"	34.969402
"24836"	647.419606	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M-2H+K"	36.948606
"462209"	952.655106	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M-2H+K"	36.948606
"836735"	342.184106	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-2H+K"	36.948606
"1561318"	342.184106	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+K-2H"	36.948606
"944827"	350.233694	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-H+HCOOH"	44.998194
"368510"	655.469201	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+HCOOH-H"	44.998201
"354585"	669.484851	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+Hac-H"	59.013851
"1504513"	364.249351	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Hac-H"	59.013851
"964398"	372.215651	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-H+NaCOOH"	66.980151
"117681"	340.204902	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+2Cl"	69.938804
"558341"	492.822652	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+2Cl"	69.938804
"1029327"	187.587152	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2Cl"	69.938804
"1243803"	384.154385	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Br"	78.918885
"1308075"	386.210372	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Cl+HCOOH"	80.974872
"1325572"	408.192329	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Cl+NaCOOH"	102.956829
"921737"	418.221086	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M-H+CF3COOH"	112.985586
"1293708"	454.197764	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Cl+CF3COOH"	148.962264
"1371140"	270.222824	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H-2H2O"	-35.012676
"1384989"	288.2328	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H-H2O"	-17.0027
"287592"	611.478276	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+H"	1.007276
"678918"	916.713776	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+H"	1.007276
"1354903"	306.242776	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H"	1.007276
"128156"	306.242776	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+2H"	2.014552
"568812"	458.860526	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+2H"	2.014552
"1041983"	153.625026	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2H"	2.014552
"207697"	204.497609333333	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+3H"	3.021828
"647624"	306.242776	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+3H"	3.021828
"1167207"	102.752442666667	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+3H"	3.021828
"428291"	628.504823	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+NH4"	18.033823
"788557"	933.740323	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+NH4"	18.033823
"1682703"	323.269323	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+NH4"	18.033823
"334264"	314.7560495	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+H+NH4"	19.041099
"726686"	467.3737995	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+H+NH4"	19.041099
"1478443"	162.1382995	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H+NH4"	19.041099
"398095"	633.460218	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+Na"	22.989218
"756904"	938.695718	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+Na"	22.989218
"1604271"	328.224718	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Na"	22.989218
"320507"	317.233747	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+H+Na"	23.996494
"710741"	469.851497	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+H+Na"	23.996494
"1466749"	164.615997	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H+Na"	23.996494
"1056714"	110.079756666667	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2H+Na"	25.00377
"1260580"	338.268986	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+CH3OH+H"	33.033486
"380250"	649.434158	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+K"	38.963158
"744525"	954.669658	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+K"	38.963158
"1542570"	344.198658	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+K"	38.963158
"305938"	325.220717	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+H+K"	39.970434
"700548"	477.838467	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+H+K"	39.970434
"1458014"	172.602967	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H+K"	39.970434
"240783"	652.504826	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+ACN+H"	42.033826
"1215678"	347.269326	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+ACN+H"	42.033826
"1195184"	174.138301	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+ACN+2H"	43.041102
"192438"	655.44216	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+2Na-H"	44.97116
"630177"	960.67766	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+2Na-H"	44.97116
"1146082"	350.20666	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2Na-H"	44.97116
"182080"	328.224718	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+2Na"	45.978436
"628081"	480.842468	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+2Na"	45.978436
"1125147"	175.606968	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2Na"	45.978436
"1408670"	117.407070666667	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H+2Na"	46.985712
"1442973"	352.248246	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H+HCOOH"	47.012746
"233764"	333.25774	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+3H2O+2H"	56.04448
"1520731"	366.30029	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+IsoProp+H"	61.06479
"423903"	336.211688	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+Na+K"	61.952376
"783600"	488.829438	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+Na+K"	61.952376
"1677745"	183.593938	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Na+K"	61.952376
"260985"	674.486768	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+ACN+Na"	64.015768
"1234787"	369.251268	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+ACN+Na"	64.015768
"1721486"	369.274793	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+NH4+HCOOH"	64.039293
"1190487"	124.734384666667	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+3Na"	68.967654
"1662932"	374.230188	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Na+HCOOH"	68.994688
"166880"	687.39004	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+2K-H"	76.91904
"608627"	992.62554	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+2K-H"	76.91904
"1093865"	382.15454	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2K-H"	76.91904
"152505"	344.198658	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"2M+2K"	77.926316
"592065"	496.816408	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"3M+2K"	77.926316
"1080588"	191.580908	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2K"	77.926316
"1113435"	384.169092	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2K+H"	78.933592
"1347996"	384.256707	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+DMSO+H"	79.021207
"1019442"	388.295876	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2ACN+H"	83.060376
"1525411"	389.289508	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+IsoProp+Na+H"	84.054008
"990157"	194.651576	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+2ACN+2H"	84.067652
"1591230"	390.204128	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+K+HCOOH"	84.968628
"1417984"	420.235638	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+H+CF3COOH"	115.000138
"1151558"	215.164851	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+3ACN+2H"	125.094202
"1706583"	437.262185	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+NH4+CF3COOH"	132.026685
"1647701"	442.21758	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+Na+CF3COOH"	136.98208
"1585538"	458.19152	"C19950"	"Samandarine"	"C19H31NO2"	"305.2355"	"M+K+CF3COOH"	152.95602
"811529"	303.2198	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M"	0
"981783"	284.20141	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-H2O-H"	-19.01839
"66746"	201.139257333333	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M-3H"	-3.021828
"507402"	302.212524	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M-3H"	-3.021828
"885205"	100.065990666667	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-3H"	-3.021828
"3779"	302.212524	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M-2H"	-2.014552
"444433"	453.822424	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M-2H"	-2.014552
"821140"	150.602624	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-2H"	-2.014552
"87696"	605.432324	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M-H"	-1.007276
"530416"	908.652124	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M-H"	-1.007276
"902873"	302.212524	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-H"	-1.007276
"53968"	622.458871	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M-2H+NH4"	16.019271
"495716"	925.678671	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M-2H+NH4"	16.019271
"871330"	319.239071	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-2H+NH4"	16.019271
"33395"	627.414266	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M-2H+Na"	20.974666
"474052"	930.634066	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M-2H+Na"	20.974666
"853676"	324.194466	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-2H+Na"	20.974666
"1623210"	324.194466	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Na-2H"	20.974666
"96459"	320.200863	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M-H+Cl"	33.962126
"536743"	471.810763	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M-H+Cl"	33.962126
"929895"	168.590963	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-H+Cl"	33.962126
"273194"	641.409002	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+Cl"	34.969402
"663424"	944.628802	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+Cl"	34.969402
"1278017"	338.189202	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Cl"	34.969402
"21666"	643.388206	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M-2H+K"	36.948606
"461225"	946.608006	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M-2H+K"	36.948606
"841219"	340.168406	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-2H+K"	36.948606
"1566896"	340.168406	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+K-2H"	36.948606
"948218"	348.217994	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-H+HCOOH"	44.998194
"370807"	651.437801	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+HCOOH-H"	44.998201
"354696"	665.453451	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+Hac-H"	59.013851
"1501343"	362.233651	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Hac-H"	59.013851
"972163"	370.199951	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-H+NaCOOH"	66.980151
"113781"	338.189202	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+2Cl"	69.938804
"555170"	489.799102	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+2Cl"	69.938804
"1024334"	186.579302	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2Cl"	69.938804
"1246829"	382.138685	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Br"	78.918885
"1305268"	384.194672	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Cl+HCOOH"	80.974872
"1327869"	406.176629	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Cl+NaCOOH"	102.956829
"923303"	416.205386	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M-H+CF3COOH"	112.985586
"1293818"	452.182064	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Cl+CF3COOH"	148.962264
"1370886"	268.207124	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H-2H2O"	-35.012676
"1385829"	286.2171	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H-H2O"	-17.0027
"283489"	607.446876	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+H"	1.007276
"681216"	910.666676	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+H"	1.007276
"1352461"	304.227076	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H"	1.007276
"128266"	304.227076	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+2H"	2.014552
"568193"	455.836976	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+2H"	2.014552
"1045374"	152.617176	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2H"	2.014552
"208170"	203.153809333333	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+3H"	3.021828
"647368"	304.227076	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+3H"	3.021828
"1166224"	102.080542666667	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+3H"	3.021828
"426580"	624.473423	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+NH4"	18.033823
"788667"	927.693223	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+NH4"	18.033823
"1682205"	321.253623	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+NH4"	18.033823
"334374"	312.7403495	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+H+NH4"	19.041099
"724242"	464.3502495	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+H+NH4"	19.041099
"1478432"	161.1304495	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H+NH4"	19.041099
"396019"	629.428818	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+Na"	22.989218
"759199"	932.648618	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+Na"	22.989218
"1606205"	326.209018	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Na"	22.989218
"318429"	315.218047	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+H+Na"	23.996494
"713038"	466.827947	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+H+Na"	23.996494
"1467953"	163.608147	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H+Na"	23.996494
"1055731"	109.407856666667	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2H+Na"	25.00377
"1263970"	336.253286	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+CH3OH+H"	33.033486
"382547"	645.402758	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+K"	38.963158
"743542"	948.622558	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+K"	38.963158
"1543044"	342.182958	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+K"	38.963158
"303861"	323.205017	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+H+K"	39.970434
"700658"	474.814917	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+H+K"	39.970434
"1458124"	171.595117	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H+K"	39.970434
"244174"	648.473426	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+ACN+H"	42.033826
"1219069"	345.253626	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+ACN+H"	42.033826
"1200764"	173.130451	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+ACN+2H"	43.041102
"192548"	651.41076	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+2Na-H"	44.97116
"633568"	954.63056	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+2Na-H"	44.97116
"1144371"	348.19096	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2Na-H"	44.97116
"186569"	326.209018	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+2Na"	45.978436
"626495"	477.818918	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+2Na"	45.978436
"1128541"	174.599118	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2Na"	45.978436
"1409511"	116.735170666667	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H+2Na"	46.985712
"1440896"	350.232546	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H+HCOOH"	47.012746
"233877"	331.24204	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+3H2O+2H"	56.04448
"1521938"	364.28459	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+IsoProp+H"	61.06479
"423571"	334.195988	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+Na+K"	61.952376
"782253"	485.805888	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+Na+K"	61.952376
"1677128"	182.586088	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Na+K"	61.952376
"264743"	670.455368	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+ACN+Na"	64.015768
"1238178"	367.235568	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+ACN+Na"	64.015768
"1723421"	367.259093	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+NH4+HCOOH"	64.039293
"1189869"	124.062484666667	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+3Na"	68.967654
"1660857"	372.214488	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Na+HCOOH"	68.994688
"169179"	683.35864	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+2K-H"	76.91904
"608738"	986.57844	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+2K-H"	76.91904
"1094706"	380.13884	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2K-H"	76.91904
"152981"	342.182958	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"2M+2K"	77.926316
"590354"	493.792858	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"3M+2K"	77.926316
"1078512"	190.573058	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2K"	77.926316
"1113913"	382.153392	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2K+H"	78.933592
"1348106"	382.241007	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+DMSO+H"	79.021207
"1015542"	386.280176	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2ACN+H"	83.060376
"1525645"	387.273808	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+IsoProp+Na+H"	84.054008
"990267"	193.643726	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+2ACN+2H"	84.067652
"1591340"	388.188428	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+K+HCOOH"	84.968628
"1418094"	418.219938	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+H+CF3COOH"	115.000138
"1151668"	214.157001	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+3ACN+2H"	125.094202
"1711068"	435.246485	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+NH4+CF3COOH"	132.026685
"1648544"	440.20188	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+Na+CF3COOH"	136.98208
"1585648"	456.17582	"C19951"	"Samandarone"	"C19H29NO2"	"303.2198"	"M+K+CF3COOH"	152.95602
"806171"	424.2097	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M"	0
"976425"	405.19131	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-H2O-H"	-19.01839
"63692"	281.799190666667	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M-3H"	-3.021828
"507512"	423.202424	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M-3H"	-3.021828
"885315"	140.395957333333	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-3H"	-3.021828
"3889"	423.202424	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M-2H"	-2.014552
"443450"	635.307274	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M-2H"	-2.014552
"820157"	211.097574	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-2H"	-2.014552
"87806"	847.412124	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M-H"	-1.007276
"528461"	1271.621824	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M-H"	-1.007276
"904075"	423.202424	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-H"	-1.007276
"57357"	864.438671	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M-2H+NH4"	16.019271
"495826"	1288.648371	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M-2H+NH4"	16.019271
"873626"	440.228971	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-2H+NH4"	16.019271
"37153"	869.394066	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M-2H+Na"	20.974666
"473798"	1293.603766	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M-2H+Na"	20.974666
"854150"	445.184366	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-2H+Na"	20.974666
"1625141"	445.184366	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Na-2H"	20.974666
"100578"	441.190763	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M-H+Cl"	33.962126
"536492"	653.295613	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M-H+Cl"	33.962126
"933649"	229.085913	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-H+Cl"	33.962126
"277674"	883.388802	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+Cl"	34.969402
"664624"	1307.598502	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+Cl"	34.969402
"1283592"	459.179102	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Cl"	34.969402
"21775"	885.368006	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M-2H+K"	36.948606
"460240"	1309.577706	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M-2H+K"	36.948606
"842422"	461.158306	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-2H+K"	36.948606
"1568829"	461.158306	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+K-2H"	36.948606
"948328"	469.207894	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-H+HCOOH"	44.998194
"370917"	893.417601	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+HCOOH-H"	44.998201
"351524"	907.433251	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+Hac-H"	59.013851
"1501451"	483.223551	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Hac-H"	59.013851
"968994"	491.189851	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-H+NaCOOH"	66.980151
"114619"	459.179102	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+2Cl"	69.938804
"553089"	671.283952	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+2Cl"	69.938804
"1022619"	247.074252	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2Cl"	69.938804
"1244751"	503.128585	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Br"	78.918885
"1304439"	505.184572	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Cl+HCOOH"	80.974872
"1320070"	527.166529	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Cl+NaCOOH"	102.956829
"913568"	537.195286	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M-H+CF3COOH"	112.985586
"1297569"	573.171964	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Cl+CF3COOH"	148.962264
"1368444"	389.197024	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H-2H2O"	-35.012676
"1382975"	407.207	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H-H2O"	-17.0027
"283100"	849.426676	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+H"	1.007276
"678774"	1273.636376	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+H"	1.007276
"1352935"	425.216976	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H"	1.007276
"129470"	425.216976	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+2H"	2.014552
"567938"	637.321826	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+2H"	2.014552
"1037829"	213.112126	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2H"	2.014552
"206093"	283.813742666667	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+3H"	3.021828
"645045"	425.216976	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+3H"	3.021828
"1163899"	142.410509333333	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+3H"	3.021828
"426688"	866.453223	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+NH4"	18.033823
"787683"	1290.662923	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+NH4"	18.033823
"1682190"	442.243523	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+NH4"	18.033823
"331197"	433.7302495	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+H+NH4"	19.041099
"723623"	645.8350995	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+H+NH4"	19.041099
"1480731"	221.6253995	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H+NH4"	19.041099
"396131"	871.408618	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+Na"	22.989218
"760402"	1295.618318	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+Na"	22.989218
"1609597"	447.198918	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Na"	22.989218
"321822"	436.207947	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+H+Na"	23.996494
"714242"	648.312797	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+H+Na"	23.996494
"1468064"	224.103097	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H+Na"	23.996494
"1062402"	149.737823333333	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2H+Na"	25.00377
"1266270"	457.243186	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+CH3OH+H"	33.033486
"382659"	887.382558	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+K"	38.963158
"749119"	1311.592258	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+K"	38.963158
"1546072"	463.172858	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+K"	38.963158
"306158"	444.194917	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+H+K"	39.970434
"704048"	656.299767	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+H+K"	39.970434
"1454590"	232.090067	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H+K"	39.970434
"246471"	890.453226	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+ACN+H"	42.033826
"1215898"	466.243526	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+ACN+H"	42.033826
"1201968"	233.625401	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+ACN+2H"	43.041102
"192658"	893.39056	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+2Na-H"	44.97116
"633669"	1317.60026	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+2Na-H"	44.97116
"1144116"	469.18086	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2Na-H"	44.97116
"186677"	447.198918	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+2Na"	45.978436
"624780"	659.303768	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+2Na"	45.978436
"1126464"	235.094068	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2Na"	45.978436
"1409258"	157.065137333333	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H+2Na"	46.985712
"1438820"	471.222446	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H+HCOOH"	47.012746
"231071"	452.23194	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+3H2O+2H"	56.04448
"1515485"	485.27449	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+IsoProp+H"	61.06479
"416994"	455.185888	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+Na+K"	61.952376
"780541"	667.290738	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+Na+K"	61.952376
"1676874"	243.081038	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Na+K"	61.952376
"263760"	912.435168	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+ACN+Na"	64.015768
"1236469"	488.225468	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+ACN+Na"	64.015768
"1722803"	488.248993	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+NH4+HCOOH"	64.039293
"1189615"	164.392451333333	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+3Na"	68.967654
"1658052"	493.204388	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Na+HCOOH"	68.994688
"166738"	925.33844	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+2K-H"	76.91904
"606299"	1349.54814	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+2K-H"	76.91904
"1095181"	501.12874	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2K-H"	76.91904
"151998"	463.172858	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"2M+2K"	77.926316
"591922"	675.277708	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"3M+2K"	77.926316
"1082269"	251.068008	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2K"	77.926316
"1113292"	503.143292	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2K+H"	78.933592
"1347488"	503.230907	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+DMSO+H"	79.021207
"1015286"	507.270076	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2ACN+H"	83.060376
"1524455"	508.263708	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+IsoProp+Na+H"	84.054008
"989993"	254.138676	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+2ACN+2H"	84.067652
"1590357"	509.178328	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+K+HCOOH"	84.968628
"1415287"	539.209838	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+H+CF3COOH"	115.000138
"1152869"	274.651951	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+3ACN+2H"	125.094202
"1710084"	556.236385	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+NH4+CF3COOH"	132.026685
"1649018"	561.19178	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+Na+CF3COOH"	136.98208
"1582478"	577.16572	"C19952"	"HT-2 Toxin"	"C22H32O8"	"424.2097"	"M+K+CF3COOH"	152.95602
"803365"	477.2515	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M"	0
"976535"	458.23311	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-H2O-H"	-19.01839
"64776"	317.160390666667	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M-3H"	-3.021828
"516372"	476.244224	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M-3H"	-3.021828
"887611"	158.076557333333	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-3H"	-3.021828
"6187"	476.244224	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M-2H"	-2.014552
"444652"	714.869974	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M-2H"	-2.014552
"830114"	237.618474	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-2H"	-2.014552
"89011"	953.495724	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M-H"	-1.007276
"525291"	1430.747224	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M-H"	-1.007276
"906373"	476.244224	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-H"	-1.007276
"57468"	970.522271	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M-2H+NH4"	16.019271
"494111"	1447.773771	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M-2H+NH4"	16.019271
"873735"	493.270771	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-2H+NH4"	16.019271
"35075"	975.477666	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M-2H+Na"	20.974666
"474271"	1452.729166	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M-2H+Na"	20.974666
"852074"	498.226166	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-2H+Na"	20.974666
"1623431"	498.226166	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Na-2H"	20.974666
"96678"	494.232563	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M-H+Cl"	33.962126
"542432"	732.858313	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M-H+Cl"	33.962126
"929751"	255.606813	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-H+Cl"	33.962126
"272318"	989.472402	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+Cl"	34.969402
"665465"	1466.723902	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+Cl"	34.969402
"1278599"	512.220902	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Cl"	34.969402
"21885"	991.451606	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M-2H+K"	36.948606
"459261"	1468.703106	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M-2H+K"	36.948606
"837065"	514.200106	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-2H+K"	36.948606
"1569303"	514.200106	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+K-2H"	36.948606
"949531"	522.249694	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-H+HCOOH"	44.998194
"369933"	999.501201	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+HCOOH-H"	44.998201
"349449"	1013.516851	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+Hac-H"	59.013851
"1495731"	536.265351	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Hac-H"	59.013851
"962543"	544.231651	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-H+NaCOOH"	66.980151
"112908"	512.220902	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+2Cl"	69.938804
"555385"	750.846652	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+2Cl"	69.938804
"1023458"	273.595152	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2Cl"	69.938804
"1241695"	556.170385	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Br"	78.918885
"1304673"	558.226372	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Cl+HCOOH"	80.974872
"1320430"	580.208329	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Cl+NaCOOH"	102.956829
"913070"	590.237086	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M-H+CF3COOH"	112.985586
"1296950"	626.213764	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Cl+CF3COOH"	148.962264
"1372926"	442.238824	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H-2H2O"	-35.012676
"1385318"	460.2488	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H-H2O"	-17.0027
"284639"	955.510276	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+H"	1.007276
"675799"	1432.761776	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+H"	1.007276
"1354868"	478.258776	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H"	1.007276
"130307"	478.258776	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+2H"	2.014552
"567316"	716.884526	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+2H"	2.014552
"1039031"	239.633026	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2H"	2.014552
"205835"	319.174942666667	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+3H"	3.021828
"647585"	478.258776	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+3H"	3.021828
"1164980"	160.091109333333	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+3H"	3.021828
"427892"	972.536823	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+NH4"	18.033823
"788156"	1449.788323	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+NH4"	18.033823
"1685224"	495.285323	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+NH4"	18.033823
"332772"	486.7720495	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+H+NH4"	19.041099
"727021"	725.3977995	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+H+NH4"	19.041099
"1480840"	248.1462995	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H+NH4"	19.041099
"396603"	977.492218	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+Na"	22.989218
"758327"	1454.743718	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+Na"	22.989218
"1608613"	500.240718	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Na"	22.989218
"317557"	489.249747	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+H+Na"	23.996494
"709979"	727.875497	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+H+Na"	23.996494
"1468173"	250.623997	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H+Na"	23.996494
"1060327"	167.418423333333	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2H+Na"	25.00377
"1263102"	510.284986	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+CH3OH+H"	33.033486
"384954"	993.466158	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+K"	38.963158
"743764"	1470.717658	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+K"	38.963158
"1548004"	516.214658	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+K"	38.963158
"309549"	497.236717	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+H+K"	39.970434
"705252"	735.862467	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+H+K"	39.970434
"1459802"	258.610967	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H+K"	39.970434
"247674"	996.536826	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+ACN+H"	42.033826
"1212727"	519.285326	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+ACN+H"	42.033826
"1199892"	260.146301	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+ACN+2H"	43.041102
"198234"	999.47416	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+2Na-H"	44.97116
"633416"	1476.72566	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+2Na-H"	44.97116
"1143864"	522.22266	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2Na-H"	44.97116
"185328"	500.240718	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+2Na"	45.978436
"623064"	738.866468	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+2Na"	45.978436
"1124383"	261.614968	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2Na"	45.978436
"1405719"	174.745737333333	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H+2Na"	46.985712
"1436742"	524.264246	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H+HCOOH"	47.012746
"228627"	505.27374	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+3H2O+2H"	56.04448
"1515595"	538.31629	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+IsoProp+H"	61.06479
"416375"	508.227688	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+Na+K"	61.952376
"777371"	746.853438	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+Na+K"	61.952376
"1674793"	269.601938	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Na+K"	61.952376
"260222"	1018.518768	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+ACN+Na"	64.015768
"1232931"	541.267268	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+ACN+Na"	64.015768
"1722547"	541.290793	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+NH4+HCOOH"	64.039293
"1189360"	182.073051333333	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+3Na"	68.967654
"1658892"	546.246188	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Na+HCOOH"	68.994688
"165024"	1031.42204	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+2K-H"	76.91904
"607502"	1508.67354	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+2K-H"	76.91904
"1094196"	554.17054	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2K-H"	76.91904
"150650"	516.214658	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"2M+2K"	77.926316
"592399"	754.840408	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"3M+2K"	77.926316
"1083107"	277.588908	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2K"	77.926316
"1113404"	556.185092	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2K+H"	78.933592
"1348329"	556.272707	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+DMSO+H"	79.021207
"1017221"	560.311876	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2ACN+H"	83.060376
"1527330"	561.305508	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+IsoProp+Na+H"	84.054008
"991221"	280.659576	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+2ACN+2H"	84.067652
"1589738"	562.220128	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+K+HCOOH"	84.968628
"1416854"	592.251638	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+H+CF3COOH"	115.000138
"1152979"	301.172851	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+3ACN+2H"	125.094202
"1712140"	609.278185	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+NH4+CF3COOH"	132.026685
"1648399"	614.23358	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+Na+CF3COOH"	136.98208
"1582588"	630.20752	"C19953"	"Cytochalasin A;(7S13E16R21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa14cytochalasa-6(12)1321-triene-12023-trione"	"C29H35NO5"	"477.2515"	"M+K+CF3COOH"	152.95602
"803111"	479.2672	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M"	0
"976645"	460.24881	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-H2O-H"	-19.01839
"62935"	318.504190666667	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M-3H"	-3.021828
"504445"	478.259924	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M-3H"	-3.021828
"886628"	158.748457333333	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-3H"	-3.021828
"6297"	478.259924	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M-2H"	-2.014552
"445858"	717.893524	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M-2H"	-2.014552
"832371"	238.626324	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-2H"	-2.014552
"89121"	957.527124	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M-H"	-1.007276
"525401"	1436.794324	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M-H"	-1.007276
"905390"	478.259924	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-H"	-1.007276
"57579"	974.553671	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M-2H+NH4"	16.019271
"496044"	1453.820871	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M-2H+NH4"	16.019271
"873846"	495.286471	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-2H+NH4"	16.019271
"36281"	979.509066	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M-2H+Na"	20.974666
"475112"	1458.776266	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M-2H+Na"	20.974666
"851456"	500.241866	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-2H+Na"	20.974666
"1623541"	500.241866	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Na-2H"	20.974666
"94966"	496.248263	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M-H+Cl"	33.962126
"535983"	735.881863	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M-H+Cl"	33.962126
"929497"	256.614663	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-H+Cl"	33.962126
"272428"	993.503802	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+Cl"	34.969402
"667034"	1472.771002	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+Cl"	34.969402
"1280532"	514.236602	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Cl"	34.969402
"24182"	995.483006	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M-2H+K"	36.948606
"459371"	1474.750206	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M-2H+K"	36.948606
"837175"	516.215806	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-2H+K"	36.948606
"1569413"	516.215806	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+K-2H"	36.948606
"949641"	524.265394	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-H+HCOOH"	44.998194
"368950"	1003.532601	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+HCOOH-H"	44.998201
"351746"	1017.548251	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+Hac-H"	59.013851
"1496205"	538.281051	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Hac-H"	59.013851
"963746"	546.247351	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-H+NaCOOH"	66.980151
"117028"	514.236602	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+2Cl"	69.938804
"555495"	753.870202	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+2Cl"	69.938804
"1024297"	274.603002	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2Cl"	69.938804
"1241443"	558.186085	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Br"	78.918885
"1304498"	560.242072	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Cl+HCOOH"	80.974872
"1319915"	582.224029	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Cl+NaCOOH"	102.956829
"911472"	592.252786	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M-H+CF3COOH"	112.985586
"1294873"	628.229464	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Cl+CF3COOH"	148.962264
"1371941"	444.254524	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H-2H2O"	-35.012676
"1384701"	462.2645	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H-H2O"	-17.0027
"284750"	959.541676	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+H"	1.007276
"675830"	1438.808876	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+H"	1.007276
"1351331"	480.274476	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H"	1.007276
"125958"	480.274476	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+2H"	2.014552
"567063"	719.908076	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+2H"	2.014552
"1039141"	240.640876	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2H"	2.014552
"205946"	320.518742666667	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+3H"	3.021828
"645507"	480.274476	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+3H"	3.021828
"1163024"	160.763009333333	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+3H"	3.021828
"425082"	976.568223	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+NH4"	18.033823
"786075"	1455.835423	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+NH4"	18.033823
"1684604"	497.301023	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+NH4"	18.033823
"334707"	488.7877495	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+H+NH4"	19.041099
"725671"	728.4213495	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+H+NH4"	19.041099
"1481312"	249.1541495	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H+NH4"	19.041099
"395983"	981.523618	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+Na"	22.989218
"758799"	1460.790818	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+Na"	22.989218
"1605441"	502.256418	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Na"	22.989218
"317665"	491.265447	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+H+Na"	23.996494
"713367"	730.899047	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+H+Na"	23.996494
"1467188"	251.631847	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H+Na"	23.996494
"1060435"	168.090323333333	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2H+Na"	25.00377
"1259563"	512.300686	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+CH3OH+H"	33.033486
"383969"	997.497558	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+K"	38.963158
"743873"	1476.764758	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+K"	38.963158
"1545197"	518.230358	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+K"	38.963158
"308564"	499.252417	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+H+K"	39.970434
"706456"	738.886017	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+H+K"	39.970434
"1458090"	259.618817	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H+K"	39.970434
"245598"	1000.568226	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+ACN+H"	42.033826
"1211744"	521.301026	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+ACN+H"	42.033826
"1196355"	261.154151	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+ACN+2H"	43.041102
"193969"	1003.50556	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+2Na-H"	44.97116
"631706"	1482.77276	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+2Na-H"	44.97116
"1143971"	524.23836	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2Na-H"	44.97116
"185074"	502.256418	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+2Na"	45.978436
"623174"	741.890018	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+2Na"	45.978436
"1119024"	262.622818	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2Na"	45.978436
"1405830"	175.417637333333	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H+2Na"	46.985712
"1439040"	526.279946	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H+HCOOH"	47.012746
"226550"	507.28944	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+3H2O+2H"	56.04448
"1512426"	540.33199	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+IsoProp+H"	61.06479
"414299"	510.243388	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+Na+K"	61.952376
"776388"	749.876988	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+Na+K"	61.952376
"1670895"	270.609788	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Na+K"	61.952376
"262156"	1022.550168	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+ACN+Na"	64.015768
"1238146"	543.282968	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+ACN+Na"	64.015768
"1723385"	543.306493	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+NH4+HCOOH"	64.039293
"1188377"	182.744951333333	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+3Na"	68.967654
"1661552"	548.261888	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Na+HCOOH"	68.994688
"167322"	1035.45344	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+2K-H"	76.91904
"606884"	1514.72064	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+2K-H"	76.91904
"1095764"	556.18624	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2K-H"	76.91904
"152582"	518.230358	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"2M+2K"	77.926316
"591049"	757.863958	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"3M+2K"	77.926316
"1082856"	278.596758	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2K"	77.926316
"1113513"	558.200792	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2K+H"	78.933592
"1350262"	558.288407	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+DMSO+H"	79.021207
"1019152"	562.327576	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2ACN+H"	83.060376
"1524884"	563.321208	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+IsoProp+Na+H"	84.054008
"990965"	281.667426	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+2ACN+2H"	84.067652
"1588633"	564.235828	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+K+HCOOH"	84.968628
"1414899"	594.267338	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+H+CF3COOH"	115.000138
"1150903"	302.180701	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+3ACN+2H"	125.094202
"1697541"	611.293885	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+NH4+CF3COOH"	132.026685
"1649116"	616.24928	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+Na+CF3COOH"	136.98208
"1582698"	632.22322	"C19954"	"Cytochalasin B"	"C29H37NO5"	"479.2672"	"M+K+CF3COOH"	152.95602
"803221"	788.2784	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M"	0
"976755"	769.26001	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-H2O-H"	-19.01839
"64998"	524.511657333333	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M-3H"	-3.021828
"506742"	787.271124	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M-3H"	-3.021828
"881266"	261.752190666667	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-3H"	-3.021828
"8595"	787.271124	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M-2H"	-2.014552
"445968"	1181.410324	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M-2H"	-2.014552
"829241"	393.131924	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-2H"	-2.014552
"88138"	1575.549524	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M-H"	-1.007276
"528794"	2363.827924	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M-H"	-1.007276
"907687"	787.271124	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-H"	-1.007276
"55502"	1592.576071	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M-2H+NH4"	16.019271
"499434"	2380.854471	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M-2H+NH4"	16.019271
"873956"	804.297671	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-2H+NH4"	16.019271
"35662"	1597.531466	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M-2H+Na"	20.974666
"475587"	2385.809866	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M-2H+Na"	20.974666
"853753"	809.253066	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-2H+Na"	20.974666
"1621829"	809.253066	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Na-2H"	20.974666
"95806"	805.259463	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M-H+Cl"	33.962126
"539374"	1199.398663	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M-H+Cl"	33.962126
"931794"	411.120263	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-H+Cl"	33.962126
"273631"	1611.526202	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+Cl"	34.969402
"662042"	2399.804602	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+Cl"	34.969402
"1278455"	823.247802	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Cl"	34.969402
"18096"	1613.505406	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M-2H+K"	36.948606
"460574"	2401.783806	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M-2H+K"	36.948606
"837285"	825.227006	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-2H+K"	36.948606
"1568795"	825.227006	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+K-2H"	36.948606
"950844"	833.276594	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-H+HCOOH"	44.998194
"370153"	1621.555001	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+HCOOH-H"	44.998201
"350764"	1635.570651	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+Hac-H"	59.013851
"1499597"	847.292251	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Hac-H"	59.013851
"962761"	855.258551	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-H+NaCOOH"	66.980151
"113126"	823.247802	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+2Cl"	69.938804
"554510"	1217.387002	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+2Cl"	69.938804
"1027689"	429.108602	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2Cl"	69.938804
"1241677"	867.197285	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Br"	78.918885
"1305098"	869.253272	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Cl+HCOOH"	80.974872
"1321381"	891.235229	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Cl+NaCOOH"	102.956829
"911431"	901.263986	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M-H+CF3COOH"	112.985586
"1293890"	937.240664	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Cl+CF3COOH"	148.962264
"1370958"	753.265724	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H-2H2O"	-35.012676
"1386629"	771.2757	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H-H2O"	-17.0027
"287050"	1577.564076	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+H"	1.007276
"677280"	2365.842476	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+H"	1.007276
"1352171"	789.285676	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H"	1.007276
"128340"	789.285676	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+2H"	2.014552
"566808"	1183.424876	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+2H"	2.014552
"1038527"	395.146476	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2H"	2.014552
"205692"	526.526209333333	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+3H"	3.021828
"644644"	789.285676	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+3H"	3.021828
"1162969"	263.766742666667	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+3H"	3.021828
"427379"	1594.590623	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+NH4"	18.033823
"785943"	2382.869023	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+NH4"	18.033823
"1682890"	806.312223	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+NH4"	18.033823
"334088"	797.7989495	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+H+NH4"	19.041099
"726148"	1191.9381495	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+H+NH4"	19.041099
"1481058"	403.6597495	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H+NH4"	19.041099
"397186"	1599.546018	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+Na"	22.989218
"755994"	2387.824418	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+Na"	22.989218
"1606644"	811.267618	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Na"	22.989218
"316319"	800.276647	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+H+Na"	23.996494
"712384"	1194.415847	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+H+Na"	23.996494
"1466205"	406.137447	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H+Na"	23.996494
"1057266"	271.094056666667	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2H+Na"	25.00377
"1259308"	821.311886	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+CH3OH+H"	33.033486
"385173"	1615.519958	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+K"	38.963158
"746170"	2403.798358	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+K"	38.963158
"1544942"	827.241558	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+K"	38.963158
"307582"	808.263617	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+H+K"	39.970434
"703284"	1202.402817	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+H+K"	39.970434
"1458200"	414.124417	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H+K"	39.970434
"244614"	1618.590626	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+ACN+H"	42.033826
"1214043"	830.312226	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+ACN+H"	42.033826
"1197195"	415.659751	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+ACN+2H"	43.041102
"192986"	1621.52796	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+2Na-H"	44.97116
"632909"	2409.80636	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+2Na-H"	44.97116
"1142624"	833.24956	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2Na-H"	44.97116
"179352"	811.267618	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+2Na"	45.978436
"623284"	1205.406818	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+2Na"	45.978436
"1123510"	417.128418	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2Na"	45.978436
"1407034"	278.421370666667	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H+2Na"	46.985712
"1439150"	835.291146	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H+HCOOH"	47.012746
"229940"	816.30064	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+3H2O+2H"	56.04448
"1517640"	849.34319	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+IsoProp+H"	61.06479
"410399"	819.254588	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+Na+K"	61.952376
"778321"	1213.393788	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+Na+K"	61.952376
"1672830"	425.115388	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Na+K"	61.952376
"259348"	1640.572568	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+ACN+Na"	64.015768
"1233882"	852.294168	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+ACN+Na"	64.015768
"1721673"	852.317693	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+NH4+HCOOH"	64.039293
"1187394"	285.748684666667	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+3Na"	68.967654
"1660570"	857.273088	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Na+HCOOH"	68.994688
"165244"	1653.47584	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+2K-H"	76.91904
"608086"	2441.75424	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+2K-H"	76.91904
"1092596"	865.19744	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2K-H"	76.91904
"152329"	827.241558	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"2M+2K"	77.926316
"592254"	1221.380758	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"3M+2K"	77.926316
"1083331"	433.102358	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2K"	77.926316
"1113258"	867.211992	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2K+H"	78.933592
"1348914"	867.299607	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+DMSO+H"	79.021207
"1017077"	871.338776	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2ACN+H"	83.060376
"1525240"	872.332408	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+IsoProp+Na+H"	84.054008
"990472"	436.173026	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+2ACN+2H"	84.067652
"1589957"	873.247028	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+K+HCOOH"	84.968628
"1414406"	903.278538	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+H+CF3COOH"	115.000138
"1149920"	456.686301	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+3ACN+2H"	125.094202
"1698381"	920.305085	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+NH4+CF3COOH"	132.026685
"1649348"	925.26048	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+Na+CF3COOH"	136.98208
"1582808"	941.23442	"C19955"	"Phomopsin A"	"C36H45ClN6O12"	"788.2784"	"M+K+CF3COOH"	152.95602
"812079"	298.1416	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M"	0
"976865"	279.12321	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-H2O-H"	-19.01839
"68386"	197.753790666667	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M-3H"	-3.021828
"505029"	297.134324	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M-3H"	-3.021828
"880443"	98.3732573333333	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-3H"	-3.021828
"8705"	297.134324	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M-2H"	-2.014552
"447171"	446.205124	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M-2H"	-2.014552
"828258"	148.063524	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-2H"	-2.014552
"88248"	595.275924	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M-H"	-1.007276
"529996"	893.417524	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M-H"	-1.007276
"906704"	297.134324	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-H"	-1.007276
"56706"	612.302471	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M-2H+NH4"	16.019271
"497358"	910.444071	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M-2H+NH4"	16.019271
"871880"	314.160871	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-2H+NH4"	16.019271
"34677"	617.257866	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M-2H+Na"	20.974666
"473507"	915.399466	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M-2H+Na"	20.974666
"850580"	319.116266	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-2H+Na"	20.974666
"1623032"	319.116266	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Na-2H"	20.974666
"94815"	315.122663	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M-H+Cl"	33.962126
"537296"	464.193463	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M-H+Cl"	33.962126
"930081"	166.051863	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-H+Cl"	33.962126
"269730"	631.252602	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+Cl"	34.969402
"661060"	929.394202	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+Cl"	34.969402
"1274921"	333.111002	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Cl"	34.969402
"17475"	633.231806	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M-2H+K"	36.948606
"460683"	931.373406	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M-2H+K"	36.948606
"836302"	335.090206	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-2H+K"	36.948606
"1569269"	335.090206	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+K-2H"	36.948606
"955330"	343.139794	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-H+HCOOH"	44.998194
"374639"	641.281401	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+HCOOH-H"	44.998201
"350874"	655.297051	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+Hac-H"	59.013851
"1500800"	357.155451	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Hac-H"	59.013851
"963965"	365.121751	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-H+NaCOOH"	66.980151
"113600"	333.111002	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+2Cl"	69.938804
"556807"	482.181802	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+2Cl"	69.938804
"1027798"	184.040202	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2Cl"	69.938804
"1242395"	377.060485	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Br"	78.918885
"1304965"	379.116472	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Cl+HCOOH"	80.974872
"1321491"	401.098429	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Cl+NaCOOH"	102.956829
"911450"	411.127186	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M-H+CF3COOH"	112.985586
"1295093"	447.103864	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Cl+CF3COOH"	148.962264
"1372161"	263.128924	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H-2H2O"	-35.012676
"1386010"	281.1389	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H-H2O"	-17.0027
"284244"	597.290476	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+H"	1.007276
"677393"	895.432076	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+H"	1.007276
"1352282"	299.148876	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H"	1.007276
"131002"	299.148876	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+2H"	2.014552
"567034"	448.219676	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+2H"	2.014552
"1039362"	150.078076	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2H"	2.014552
"205679"	199.768342666667	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+3H"	3.021828
"646456"	299.148876	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+3H"	3.021828
"1163243"	100.387809333333	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+3H"	3.021828
"428580"	614.317023	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+NH4"	18.033823
"786904"	912.458623	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+NH4"	18.033823
"1682634"	316.175423	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+NH4"	18.033823
"330796"	307.6621495	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+H+NH4"	19.041099
"723500"	456.7329495	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+H+NH4"	19.041099
"1477887"	158.5913495	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H+NH4"	19.041099
"393286"	619.272418	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+Na"	22.989218
"754442"	917.414018	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+Na"	22.989218
"1603960"	321.130818	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Na"	22.989218
"314373"	310.139847	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+H+Na"	23.996494
"708485"	459.210647	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+H+Na"	23.996494
"1464129"	161.069047	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H+Na"	23.996494
"1056283"	107.715123333333	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2H+Na"	25.00377
"1257596"	331.175086	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+CH3OH+H"	33.033486
"384190"	635.246358	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+K"	38.963158
"746281"	933.387958	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+K"	38.963158
"1551613"	337.104758	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+K"	38.963158
"309879"	318.126817	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+H+K"	39.970434
"703394"	467.197617	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+H+K"	39.970434
"1456852"	169.056017	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H+K"	39.970434
"240348"	638.317026	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+ACN+H"	42.033826
"1211235"	340.175426	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+ACN+H"	42.033826
"1196577"	170.591351	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+ACN+2H"	43.041102
"190909"	641.25436	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+2Na-H"	44.97116
"631562"	939.39596	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+2Na-H"	44.97116
"1142369"	343.11276	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2Na-H"	44.97116
"176182"	321.130818	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+2Na"	45.978436
"616104"	470.201618	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+2Na"	45.978436
"1123620"	172.060018	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2Na"	45.978436
"1403863"	115.042437333333	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H+2Na"	46.985712
"1443273"	345.154346	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H+HCOOH"	47.012746
"233333"	326.16384	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+3H2O+2H"	56.04448
"1520301"	359.20639	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+IsoProp+H"	61.06479
"414519"	329.117788	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+Na+K"	61.952376
"778794"	478.188588	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+Na+K"	61.952376
"1672940"	180.046988	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Na+K"	61.952376
"259459"	660.298968	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+ACN+Na"	64.015768
"1229253"	362.157368	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+ACN+Na"	64.015768
"1719962"	362.180893	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+NH4+HCOOH"	64.039293
"1188598"	122.369751333333	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+3Na"	68.967654
"1657400"	367.136288	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Na+HCOOH"	68.994688
"164262"	673.20224	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+2K-H"	76.91904
"608197"	971.34384	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+2K-H"	76.91904
"1091612"	375.06064	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2K-H"	76.91904
"151709"	337.104758	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"2M+2K"	77.926316
"592364"	486.175558	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"3M+2K"	77.926316
"1081254"	188.033958	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2K"	77.926316
"1113977"	377.075192	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2K+H"	78.933592
"1349632"	377.162807	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+DMSO+H"	79.021207
"1019253"	381.201976	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2ACN+H"	83.060376
"1525472"	382.195608	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+IsoProp+Na+H"	84.054008
"990825"	191.104626	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+2ACN+2H"	84.067652
"1591890"	383.110228	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+K+HCOOH"	84.968628
"1414638"	413.141738	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+H+CF3COOH"	115.000138
"1148937"	211.617901	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+3ACN+2H"	125.094202
"1701772"	430.168285	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+NH4+CF3COOH"	132.026685
"1647269"	435.12368	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+Na+CF3COOH"	136.98208
"1582918"	451.09762	"C19956"	"Neoilludin A"	"C15H22O6"	"298.1416"	"M+K+CF3COOH"	152.95602
"813286"	723.4558	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M"	0
"978070"	704.43741	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-H2O-H"	-19.01839
"67406"	481.296590666667	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M-3H"	-3.021828
"513529"	722.448524	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M-3H"	-3.021828
"894251"	240.144657333333	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-3H"	-3.021828
"12095"	722.448524	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M-2H"	-2.014552
"446188"	1084.176424	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M-2H"	-2.014552
"828368"	360.720624	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-2H"	-2.014552
"89453"	1445.904324	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M-H"	-1.007276
"529015"	2169.360124	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M-H"	-1.007276
"904629"	722.448524	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-H"	-1.007276
"51349"	1462.930871	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M-2H+NH4"	16.019271
"493097"	2186.386671	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M-2H+NH4"	16.019271
"866160"	739.475071	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-2H+NH4"	16.019271
"36613"	1467.886266	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M-2H+Na"	20.974666
"473619"	2191.342066	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M-2H+Na"	20.974666
"851787"	744.430466	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-2H+Na"	20.974666
"1623508"	744.430466	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Na-2H"	20.974666
"95295"	740.436863	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M-H+Cl"	33.962126
"537409"	1102.164763	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M-H+Cl"	33.962126
"929830"	378.708963	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-H+Cl"	33.962126
"271665"	1481.881002	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+Cl"	34.969402
"667369"	2205.336802	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+Cl"	34.969402
"1278680"	758.425202	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Cl"	34.969402
"17954"	1483.860206	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M-2H+K"	36.948606
"461888"	2207.316006	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M-2H+K"	36.948606
"842975"	760.404406	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-2H+K"	36.948606
"1568651"	760.404406	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+K-2H"	36.948606
"957264"	768.453994	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-H+HCOOH"	44.998194
"374387"	1491.909801	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+HCOOH-H"	44.998201
"349161"	1505.925451	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+Hac-H"	59.013851
"1499816"	782.469651	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Hac-H"	59.013851
"966262"	790.435951	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-H+NaCOOH"	66.980151
"114076"	758.425202	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+2Cl"	69.938804
"555824"	1120.153102	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+2Cl"	69.938804
"1026815"	396.697302	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2Cl"	69.938804
"1245300"	802.374685	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Br"	78.918885
"1307751"	804.430672	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Cl+HCOOH"	80.974872
"1321237"	826.412629	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Cl+NaCOOH"	102.956829
"913027"	836.441386	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M-H+CF3COOH"	112.985586
"1294110"	872.418064	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Cl+CF3COOH"	148.962264
"1370084"	688.443124	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H-2H2O"	-35.012676
"1389767"	706.4531	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H-H2O"	-17.0027
"282972"	1447.918876	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+H"	1.007276
"678231"	2171.374676	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+H"	1.007276
"1356038"	724.463076	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H"	1.007276
"126493"	724.463076	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+2H"	2.014552
"568489"	1086.190976	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+2H"	2.014552
"1038014"	362.735176	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2H"	2.014552
"206159"	483.311142666667	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+3H"	3.021828
"645475"	724.463076	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+3H"	3.021828
"1163964"	242.159209333333	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+3H"	3.021828
"426147"	1464.945423	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+NH4"	18.033823
"787152"	2188.401223	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+NH4"	18.033823
"1682023"	741.489623	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+NH4"	18.033823
"331027"	732.9763495	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+H+NH4"	19.041099
"724544"	1094.7042495	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+H+NH4"	19.041099
"1477875"	371.2484495	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H+NH4"	19.041099
"396677"	1469.900818	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+Na"	22.989218
"754874"	2193.356618	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+Na"	22.989218
"1604067"	746.445018	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Na"	22.989218
"315807"	735.454047	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+H+Na"	23.996494
"708835"	1097.181947	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+H+Na"	23.996494
"1462048"	373.726147	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H+Na"	23.996494
"1054324"	249.486523333333	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2H+Na"	25.00377
"1259890"	756.489286	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+CH3OH+H"	33.033486
"379195"	1485.874758	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+K"	38.963158
"742377"	2209.330558	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+K"	38.963158
"1547346"	762.418958	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+K"	38.963158
"304524"	743.441017	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+H+K"	39.970434
"696945"	1105.168917	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+H+K"	39.970434
"1449672"	381.713117	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H+K"	39.970434
"240468"	1488.945426	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+ACN+H"	42.033826
"1215365"	765.489626	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+ACN+H"	42.033826
"1200343"	383.248451	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+ACN+2H"	43.041102
"196494"	1491.88276	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+2Na-H"	44.97116
"633136"	2215.33856	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+2Na-H"	44.97116
"1142844"	768.42696	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2Na-H"	44.97116
"179573"	746.445018	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+2Na"	45.978436
"614876"	1108.172918	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+2Na"	45.978436
"1117168"	384.717118	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2Na"	45.978436
"1399843"	256.813837333333	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H+2Na"	46.985712
"1439372"	770.468546	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H+HCOOH"	47.012746
"226883"	751.47804	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+3H2O+2H"	56.04448
"1509476"	784.52059	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+IsoProp+H"	61.06479
"412445"	754.431988	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+Na+K"	61.952376
"772346"	1116.159888	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+Na+K"	61.952376
"1674145"	392.704088	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Na+K"	61.952376
"254103"	1510.927368	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+ACN+Na"	64.015768
"1234102"	787.471568	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+ACN+Na"	64.015768
"1717886"	787.495093	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+NH4+HCOOH"	64.039293
"1181055"	264.141151333333	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+3Na"	68.967654
"1655320"	792.450488	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Na+HCOOH"	68.994688
"163278"	1523.83064	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+2K-H"	76.91904
"607211"	2247.28644	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+2K-H"	76.91904
"1090628"	800.37484	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2K-H"	76.91904
"151819"	762.418958	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"2M+2K"	77.926316
"590288"	1124.146858	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"3M+2K"	77.926316
"1081362"	400.691058	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2K"	77.926316
"1105819"	802.389392	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2K+H"	78.933592
"1347674"	802.477007	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+DMSO+H"	79.021207
"1014015"	806.516176	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2ACN+H"	83.060376
"1529962"	807.509808	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+IsoProp+Na+H"	84.054008
"996407"	403.761726	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+2ACN+2H"	84.067652
"1589821"	808.424428	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+K+HCOOH"	84.968628
"1417666"	838.455938	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+H+CF3COOH"	115.000138
"1156704"	424.275001	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+3ACN+2H"	125.094202
"1707353"	855.482485	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+NH4+CF3COOH"	132.026685
"1646285"	860.43788	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+Na+CF3COOH"	136.98208
"1586308"	876.41182	"C19957"	"Fasciculol E"	"C39H65NO11"	"723.4558"	"M+K+CF3COOH"	152.95602
"810112"	723.4558	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M"	0
"978180"	704.43741	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-H2O-H"	-19.01839
"67516"	481.296590666667	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M-3H"	-3.021828
"512545"	722.448524	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M-3H"	-3.021828
"880624"	240.144657333333	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-3H"	-3.021828
"14153"	722.448524	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M-2H"	-2.014552
"446298"	1084.176424	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M-2H"	-2.014552
"830543"	360.720624	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-2H"	-2.014552
"91629"	1445.904324	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M-H"	-1.007276
"529123"	2169.360124	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M-H"	-1.007276
"908870"	722.448524	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-H"	-1.007276
"51459"	1462.930871	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M-2H+NH4"	16.019271
"489925"	2186.386671	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M-2H+NH4"	16.019271
"867724"	739.475071	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-2H+NH4"	16.019271
"34532"	1467.886266	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M-2H+Na"	20.974666
"475190"	2191.342066	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M-2H+Na"	20.974666
"851897"	744.430466	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-2H+Na"	20.974666
"1624711"	744.430466	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Na-2H"	20.974666
"96134"	740.436863	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M-H+Cl"	33.962126
"539707"	1102.164763	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M-H+Cl"	33.962126
"931398"	378.708963	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-H+Cl"	33.962126
"271776"	1481.881002	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+Cl"	34.969402
"667480"	2205.336802	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+Cl"	34.969402
"1278790"	758.425202	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Cl"	34.969402
"22439"	1483.860206	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M-2H+K"	36.948606
"460905"	2207.316006	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M-2H+K"	36.948606
"839805"	760.404406	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-2H+K"	36.948606
"1565481"	760.404406	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+K-2H"	36.948606
"954458"	768.453994	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-H+HCOOH"	44.998194
"372673"	1491.909801	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+HCOOH-H"	44.998201
"351824"	1505.925451	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+Hac-H"	59.013851
"1500290"	782.469651	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Hac-H"	59.013851
"968558"	790.435951	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-H+NaCOOH"	66.980151
"114186"	758.425202	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+2Cl"	69.938804
"559213"	1120.153102	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+2Cl"	69.938804
"1030205"	396.697302	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2Cl"	69.938804
"1247597"	802.374685	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Br"	78.918885
"1309317"	804.430672	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Cl+HCOOH"	80.974872
"1322441"	826.412629	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Cl+NaCOOH"	102.956829
"914593"	836.441386	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M-H+CF3COOH"	112.985586
"1293127"	872.418064	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Cl+CF3COOH"	148.962264
"1371289"	688.443124	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H-2H2O"	-35.012676
"1387692"	706.4531	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H-H2O"	-17.0027
"284094"	1447.918876	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+H"	1.007276
"679071"	2171.374676	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+H"	1.007276
"1357242"	724.463076	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H"	1.007276
"126482"	724.463076	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+2H"	2.014552
"569693"	1086.190976	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+2H"	2.014552
"1038003"	362.735176	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2H"	2.014552
"206393"	483.311142666667	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+3H"	3.021828
"645585"	724.463076	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+3H"	3.021828
"1165168"	242.159209333333	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+3H"	3.021828
"425531"	1464.945423	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+NH4"	18.033823
"787258"	2188.401223	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+NH4"	18.033823
"1682860"	741.489623	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+NH4"	18.033823
"331865"	732.9763495	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+H+NH4"	19.041099
"724287"	1094.7042495	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+H+NH4"	19.041099
"1478468"	371.2484495	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H+NH4"	19.041099
"392890"	1469.900818	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+Na"	22.989218
"754528"	2193.356618	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+Na"	22.989218
"1603690"	746.445018	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Na"	22.989218
"315062"	735.454047	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+H+Na"	23.996494
"707239"	1097.181947	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+H+Na"	23.996494
"1461666"	373.726147	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H+Na"	23.996494
"1052888"	249.486523333333	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2H+Na"	25.00377
"1259269"	756.489286	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+CH3OH+H"	33.033486
"378085"	1485.874758	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+K"	38.963158
"738605"	2209.330558	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+K"	38.963158
"1547455"	762.418958	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+K"	38.963158
"301353"	743.441017	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+H+K"	39.970434
"692678"	1105.168917	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+H+K"	39.970434
"1446499"	381.713117	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H+K"	39.970434
"241671"	1488.945426	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+ACN+H"	42.033826
"1216568"	765.489626	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+ACN+H"	42.033826
"1202639"	383.248451	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+ACN+2H"	43.041102
"198791"	1491.88276	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+2Na-H"	44.97116
"635068"	2215.33856	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+2Na-H"	44.97116
"1142954"	768.42696	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2Na-H"	44.97116
"179683"	746.445018	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+2Na"	45.978436
"617055"	1108.172918	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+2Na"	45.978436
"1117645"	384.717118	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2Na"	45.978436
"1402991"	256.813837333333	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H+2Na"	46.985712
"1436202"	770.468546	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H+HCOOH"	47.012746
"228085"	751.47804	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+3H2O+2H"	56.04448
"1516148"	784.52059	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+IsoProp+H"	61.06479
"415837"	754.431988	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+Na+K"	61.952376
"773550"	1116.159888	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+Na+K"	61.952376
"1674254"	392.704088	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Na+K"	61.952376
"259682"	1510.927368	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+ACN+Na"	64.015768
"1235670"	787.471568	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+ACN+Na"	64.015768
"1720182"	787.495093	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+NH4+HCOOH"	64.039293
"1179097"	264.141151333333	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+3Na"	68.967654
"1656525"	792.450488	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Na+HCOOH"	68.994688
"164482"	1523.83064	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+2K-H"	76.91904
"608415"	2247.28644	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+2K-H"	76.91904
"1091830"	800.37484	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2K-H"	76.91904
"153022"	762.418958	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"2M+2K"	77.926316
"591491"	1124.146858	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"3M+2K"	77.926316
"1082201"	400.691058	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2K"	77.926316
"1101556"	802.389392	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2K+H"	78.933592
"1344502"	802.477007	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+DMSO+H"	79.021207
"1016312"	806.516176	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2ACN+H"	83.060376
"1530069"	807.509808	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+IsoProp+Na+H"	84.054008
"994329"	403.761726	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+2ACN+2H"	84.067652
"1593211"	808.424428	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+K+HCOOH"	84.968628
"1416683"	838.455938	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+H+CF3COOH"	115.000138
"1150616"	424.275001	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+3ACN+2H"	125.094202
"1711838"	855.482485	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+NH4+CF3COOH"	132.026685
"1649639"	860.43788	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+Na+CF3COOH"	136.98208
"1586418"	876.41182	"C19958"	"Fasciculol F"	"C39H65NO11"	"723.4558"	"M+K+CF3COOH"	152.95602
"804024"	252.0382	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M"	0
"978290"	233.01981	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-H2O-H"	-19.01839
"67626"	167.018190666667	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M-3H"	-3.021828
"508282"	251.030924	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M-3H"	-3.021828
"880612"	83.0054573333333	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-3H"	-3.021828
"14502"	251.030924	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M-2H"	-2.014552
"444220"	377.050024	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M-2H"	-2.014552
"827491"	125.011824	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-2H"	-2.014552
"92711"	503.069124	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M-H"	-1.007276
"530327"	755.107324	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M-H"	-1.007276
"909222"	251.030924	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-H"	-1.007276
"55943"	520.095671	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M-2H+NH4"	16.019271
"491130"	772.133871	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M-2H+NH4"	16.019271
"866010"	268.057471	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-2H+NH4"	16.019271
"33914"	525.051066	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M-2H+Na"	20.974666
"475664"	777.089266	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M-2H+Na"	20.974666
"852371"	273.012866	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-2H+Na"	20.974666
"1625914"	273.012866	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Na-2H"	20.974666
"96975"	269.019263	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M-H+Cl"	33.962126
"540909"	395.038363	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M-H+Cl"	33.962126
"932601"	143.000163	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-H+Cl"	33.962126
"274073"	539.045802	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+Cl"	34.969402
"670870"	791.084002	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+Cl"	34.969402
"1276712"	287.007602	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Cl"	34.969402
"21456"	541.025006	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M-2H+K"	36.948606
"462108"	793.063206	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M-2H+K"	36.948606
"844289"	288.986806	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-2H+K"	36.948606
"1566684"	288.986806	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+K-2H"	36.948606
"957404"	297.036394	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-H+HCOOH"	44.998194
"373876"	549.074601	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+HCOOH-H"	44.998201
"353392"	563.090251	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+Hac-H"	59.013851
"1498941"	311.052051	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Hac-H"	59.013851
"966481"	319.018351	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-H+NaCOOH"	66.980151
"113566"	287.007602	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+2Cl"	69.938804
"553856"	413.026702	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+2Cl"	69.938804
"1031408"	160.988502	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2Cl"	69.938804
"1249164"	330.957085	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Br"	78.918885
"1316353"	333.013072	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Cl+HCOOH"	80.974872
"1324738"	354.995029	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Cl+NaCOOH"	102.956829
"917255"	365.023786	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M-H+CF3COOH"	112.985586
"1293601"	401.000464	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Cl+CF3COOH"	148.962264
"1369940"	217.025524	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H-2H2O"	-35.012676
"1387801"	235.0355	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H-H2O"	-17.0027
"284573"	505.083676	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+H"	1.007276
"676993"	757.121876	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+H"	1.007276
"1356260"	253.045476	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H"	1.007276
"126715"	253.045476	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+2H"	2.014552
"569074"	379.064576	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+2H"	2.014552
"1037749"	127.026376	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2H"	2.014552
"205774"	169.032742666667	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+3H"	3.021828
"647523"	253.045476	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+3H"	3.021828
"1167833"	85.0200093333333	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+3H"	3.021828
"425278"	522.110223	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+NH4"	18.033823
"787488"	774.148423	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+NH4"	18.033823
"1682606"	270.072023	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+NH4"	18.033823
"331978"	261.5587495	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+H+NH4"	19.041099
"724762"	387.5778495	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+H+NH4"	19.041099
"1477727"	135.5396495	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H+NH4"	19.041099
"393125"	527.065618	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+Na"	22.989218
"754358"	779.103818	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+Na"	22.989218
"1604529"	275.027418	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Na"	22.989218
"318212"	264.036447	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+H+Na"	23.996494
"707960"	390.055547	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+H+Na"	23.996494
"1461652"	138.017347	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H+Na"	23.996494
"1054784"	92.3473233333333	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2H+Na"	25.00377
"1259744"	285.071686	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+CH3OH+H"	33.033486
"377953"	543.039558	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+K"	38.963158
"740774"	795.077758	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+K"	38.963158
"1551574"	291.001358	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+K"	38.963158
"301827"	272.023417	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+H+K"	39.970434
"694613"	398.042517	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+H+K"	39.970434
"1447703"	146.004317	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H+K"	39.970434
"239594"	546.110226	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+ACN+H"	42.033826
"1216678"	294.072026	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+ACN+H"	42.033826
"1202749"	147.539651	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+ACN+2H"	43.041102
"199995"	549.04756	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+2Na-H"	44.97116
"637365"	801.08576	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+2Na-H"	44.97116
"1143064"	297.00936	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2Na-H"	44.97116
"179793"	275.027418	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+2Na"	45.978436
"617165"	401.046518	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+2Na"	45.978436
"1117391"	149.008318	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2Na"	45.978436
"1400915"	99.6746373333333	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H+2Na"	46.985712
"1436312"	299.050946	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H+HCOOH"	47.012746
"230382"	280.06044	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+3H2O+2H"	56.04448
"1518445"	313.10299	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+IsoProp+H"	61.06479
"413761"	283.014388	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+Na+K"	61.952376
"774755"	409.033488	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+Na+K"	61.952376
"1672179"	156.995288	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Na+K"	61.952376
"257606"	568.092168	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+ACN+Na"	64.015768
"1236874"	316.053968	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+ACN+Na"	64.015768
"1723573"	316.077493	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+NH4+HCOOH"	64.039293
"1182733"	107.001951333333	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+3Na"	68.967654
"1659916"	321.032888	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Na+HCOOH"	68.994688
"168966"	580.99544	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+2K-H"	76.91904
"608526"	833.03364	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+2K-H"	76.91904
"1093035"	328.95724	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2K-H"	76.91904
"153134"	291.001358	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"2M+2K"	77.926316
"592695"	417.020458	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"3M+2K"	77.926316
"1081582"	164.982258	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2K"	77.926316
"1108227"	330.971792	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2K+H"	78.933592
"1346800"	331.059407	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+DMSO+H"	79.021207
"1020556"	335.098576	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2ACN+H"	83.060376
"1530179"	336.092208	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+IsoProp+Na+H"	84.054008
"993345"	168.052926	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+2ACN+2H"	84.067652
"1590041"	337.006828	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+K+HCOOH"	84.968628
"1417886"	367.038338	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+H+CF3COOH"	115.000138
"1149633"	188.566201	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+3ACN+2H"	125.094202
"1712396"	384.064885	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+NH4+CF3COOH"	132.026685
"1647600"	389.02028	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+Na+CF3COOH"	136.98208
"1586528"	404.99422	"C19959"	"Orellanine"	"C10H8N2O6"	"252.0382"	"M+K+CF3COOH"	152.95602
"802107"	546.0652	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M"	0
"978400"	527.04681	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H2O-H"	-19.01839
"67736"	363.036190666667	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-3H"	-3.021828
"508392"	545.057924	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-3H"	-3.021828
"879968"	181.014457333333	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-3H"	-3.021828
"8052"	545.057924	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H"	-2.014552
"440600"	818.090524	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H"	-2.014552
"827601"	272.025324	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H"	-2.014552
"91970"	1091.123124	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-H"	-1.007276
"531530"	1637.188324	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-H"	-1.007276
"907147"	545.057924	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H"	-1.007276
"61278"	1108.149671	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+NH4"	16.019271
"491240"	1654.214871	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+NH4"	16.019271
"866486"	562.084471	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+NH4"	16.019271
"34024"	1113.105066	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+Na"	20.974666
"479783"	1659.170266	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+Na"	20.974666
"855397"	567.039866	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+Na"	20.974666
"1623107"	567.039866	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na-2H"	20.974666
"100366"	563.046263	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-H+Cl"	33.962126
"540291"	836.078863	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-H+Cl"	33.962126
"932347"	290.013663	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+Cl"	33.962126
"275276"	1127.099802	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Cl"	34.969402
"669887"	1673.165002	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+Cl"	34.969402
"1283382"	581.034602	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl"	34.969402
"28124"	1129.079006	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M-2H+K"	36.948606
"465499"	1675.144206	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M-2H+K"	36.948606
"838925"	583.013806	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-2H+K"	36.948606
"1560228"	583.013806	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K-2H"	36.948606
"951392"	591.063394	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+HCOOH"	44.998194
"372894"	1137.128601	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+HCOOH-H"	44.998201
"350584"	1151.144251	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Hac-H"	59.013851
"1496498"	605.079051	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Hac-H"	59.013851
"963675"	613.045351	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+NaCOOH"	66.980151
"111852"	581.034602	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Cl"	69.938804
"551778"	854.067202	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Cl"	69.938804
"1029331"	308.002002	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2Cl"	69.938804
"1248910"	624.984085	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Br"	78.918885
"1314640"	627.040072	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+HCOOH"	80.974872
"1323755"	649.022029	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+NaCOOH"	102.956829
"918825"	659.050786	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M-H+CF3COOH"	112.985586
"1293711"	695.027464	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Cl+CF3COOH"	148.962264
"1371509"	511.052524	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H-2H2O"	-35.012676
"1387911"	529.0625	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H-H2O"	-17.0027
"286143"	1093.137676	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H"	1.007276
"678198"	1639.202876	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H"	1.007276
"1352356"	547.072476	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H"	1.007276
"127311"	547.072476	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2H"	2.014552
"567723"	820.105076	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2H"	2.014552
"1038222"	274.039876	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2H"	2.014552
"206612"	365.050742666667	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+3H"	3.021828
"646901"	547.072476	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+3H"	3.021828
"1167576"	183.029009333333	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+3H"	3.021828
"425020"	1110.164223	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+NH4"	18.033823
"788574"	1656.229423	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+NH4"	18.033823
"1683447"	564.099023	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4"	18.033823
"332456"	555.5857495	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+NH4"	19.041099
"725241"	828.6183495	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+NH4"	19.041099
"1481245"	282.5531495	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+NH4"	19.041099
"395915"	1115.119618	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Na"	22.989218
"757275"	1661.184818	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+Na"	22.989218
"1604034"	569.054418	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na"	22.989218
"316139"	558.063447	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+Na"	23.996494
"708560"	831.096047	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+Na"	23.996494
"1461401"	285.030847	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+Na"	23.996494
"1052857"	190.356323333333	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2H+Na"	25.00377
"1259125"	579.098686	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+CH3OH+H"	33.033486
"377701"	1131.093558	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+K"	38.963158
"738589"	1677.158758	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+K"	38.963158
"1542936"	585.028358	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K"	38.963158
"299747"	566.050417	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+H+K"	39.970434
"692537"	839.083017	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+H+K"	39.970434
"1447451"	293.017817	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+K"	39.970434
"238611"	1134.164226	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+H"	42.033826
"1218977"	588.099026	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+H"	42.033826
"1200673"	294.553151	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+2H"	43.041102
"200105"	1137.10156	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na-H"	44.97116
"634196"	1683.16676	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na-H"	44.97116
"1143175"	591.03636	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2Na-H"	44.97116
"178812"	569.054418	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2Na"	45.978436
"620558"	842.087018	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2Na"	45.978436
"1124063"	296.021818	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2Na"	45.978436
"1410867"	197.683637333333	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+2Na"	46.985712
"1438609"	593.077946	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+HCOOH"	47.012746
"229402"	574.08744	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+3H2O+2H"	56.04448
"1516371"	607.12999	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+H"	61.06479
"417152"	577.041388	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+Na+K"	61.952376
"774137"	850.073988	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+Na+K"	61.952376
"1671561"	304.008788	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+K"	61.952376
"257718"	1156.146168	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+ACN+Na"	64.015768
"1235894"	610.080968	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+ACN+Na"	64.015768
"1722593"	610.104493	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+HCOOH"	64.039293
"1183574"	205.010951333333	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+3Na"	68.967654
"1658936"	615.059888	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+HCOOH"	68.994688
"170171"	1169.04944	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2K-H"	76.91904
"610826"	1715.11464	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2K-H"	76.91904
"1095331"	622.98424	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2K-H"	76.91904
"156973"	585.028358	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"2M+2K"	77.926316
"596785"	858.060958	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"3M+2K"	77.926316
"1083516"	311.995758	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2K"	77.926316
"1106151"	624.998792	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2K+H"	78.933592
"1345817"	625.086407	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+DMSO+H"	79.021207
"1019329"	629.125576	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+H"	83.060376
"1529562"	630.119208	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+IsoProp+Na+H"	84.054008
"996737"	315.066426	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+2ACN+2H"	84.067652
"1589418"	631.033828	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K+HCOOH"	84.968628
"1415444"	661.065338	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+H+CF3COOH"	115.000138
"1150107"	335.579701	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+3ACN+2H"	125.094202
"1709870"	678.091885	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+NH4+CF3COOH"	132.026685
"1648801"	683.04728	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+Na+CF3COOH"	136.98208
"1586638"	699.02122	"C19960"	"dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose;dTDP-6-deoxy-D-xylo-hexos-3-ulose;dTDP-6-deoxy-D-xylo-hex-3-ulose"	"C16H24N2O15P2"	"546.0652"	"M+K+CF3COOH"	152.95602
"801379"	590.1026	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M"	0
"980698"	571.08421	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-H2O-H"	-19.01839
"62952"	392.394457333333	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M-3H"	-3.021828
"511783"	589.095324	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M-3H"	-3.021828
"887399"	195.693590666667	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-3H"	-3.021828
"4879"	589.095324	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M-2H"	-2.014552
"441523"	884.146624	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M-2H"	-2.014552
"827712"	294.044024	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-2H"	-2.014552
"92082"	1179.197924	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M-H"	-1.007276
"523986"	1769.300524	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M-H"	-1.007276
"897414"	589.095324	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-H"	-1.007276
"50694"	1196.224471	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M-2H+NH4"	16.019271
"488428"	1786.327071	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M-2H+NH4"	16.019271
"866596"	606.121871	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-2H+NH4"	16.019271
"34495"	1201.179866	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M-2H+Na"	20.974666
"473326"	1791.282466	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M-2H+Na"	20.974666
"850401"	611.077266	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-2H+Na"	20.974666
"1621026"	611.077266	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Na-2H"	20.974666
"95369"	607.083663	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M-H+Cl"	33.962126
"534646"	902.134963	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M-H+Cl"	33.962126
"927305"	312.032363	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-H+Cl"	33.962126
"267365"	1215.174602	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+Cl"	34.969402
"661613"	1805.277202	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+Cl"	34.969402
"1274380"	625.072002	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Cl"	34.969402
"21678"	1217.153806	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M-2H+K"	36.948606
"463427"	1807.256406	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M-2H+K"	36.948606
"840135"	627.051206	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-2H+K"	36.948606
"1560343"	627.051206	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+K-2H"	36.948606
"952602"	635.100794	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-H+HCOOH"	44.998194
"369723"	1225.203401	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+HCOOH-H"	44.998201
"351421"	1239.219051	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+Hac-H"	59.013851
"1495518"	649.116451	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Hac-H"	59.013851
"964520"	657.082751	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-H+NaCOOH"	66.980151
"114521"	625.072002	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+2Cl"	69.938804
"555539"	920.123302	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+2Cl"	69.938804
"1026527"	330.020702	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2Cl"	69.938804
"1246474"	669.021485	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Br"	78.918885
"1305275"	671.077472	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Cl+HCOOH"	80.974872
"1328972"	693.059429	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Cl+NaCOOH"	102.956829
"920029"	703.088186	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M-H+CF3COOH"	112.985586
"1295645"	739.064864	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Cl+CF3COOH"	148.962264
"1373079"	555.089924	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H-2H2O"	-35.012676
"1384378"	573.0999	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H-H2O"	-17.0027
"285522"	1181.212476	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+H"	1.007276
"680132"	1771.315076	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+H"	1.007276
"1352834"	591.109876	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H"	1.007276
"126817"	591.109876	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+2H"	2.014552
"567106"	886.161176	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+2H"	2.014552
"1037359"	296.058576	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2H"	2.014552
"205632"	394.409009333333	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+3H"	3.021828
"645924"	591.109876	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+3H"	3.021828
"1164295"	197.708142666667	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+3H"	3.021828
"424444"	1198.239023	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+NH4"	18.033823
"786254"	1788.341623	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+NH4"	18.033823
"1685017"	608.136423	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+NH4"	18.033823
"331836"	599.6231495	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+H+NH4"	19.041099
"724624"	894.6744495	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+H+NH4"	19.041099
"1481723"	304.5718495	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H+NH4"	19.041099
"397121"	1203.194418	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+Na"	22.989218
"758117"	1793.297018	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+Na"	22.989218
"1604512"	613.091818	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Na"	22.989218
"316493"	602.100847	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+H+Na"	23.996494
"709765"	897.152147	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+H+Na"	23.996494
"1465771"	307.049547	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H+Na"	23.996494
"1054276"	205.035456666667	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2H+Na"	25.00377
"1258142"	623.136086	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+CH3OH+H"	33.033486
"377251"	1219.168358	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+K"	38.963158
"742455"	1809.270958	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+K"	38.963158
"1542320"	629.065758	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+K"	38.963158
"302054"	610.087817	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+H+K"	39.970434
"693745"	905.139117	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+H+K"	39.970434
"1450118"	315.036517	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H+K"	39.970434
"237261"	1222.239026	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+ACN+H"	42.033826
"1216900"	632.136426	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+ACN+H"	42.033826
"1209169"	316.571851	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+ACN+2H"	43.041102
"200952"	1225.17636	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+2Na-H"	44.97116
"639781"	1815.27896	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+2Na-H"	44.97116
"1141098"	635.07376	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2Na-H"	44.97116
"182200"	613.091818	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+2Na"	45.978436
"619572"	908.143118	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+2Na"	45.978436
"1127089"	318.040518	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2Na"	45.978436
"1409885"	212.362770666667	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H+2Na"	46.985712
"1436533"	637.115346	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H+HCOOH"	47.012746
"227326"	618.12484	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+3H2O+2H"	56.04448
"1515388"	651.16739	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+IsoProp+H"	61.06479
"416167"	621.078788	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+Na+K"	61.952376
"777164"	916.130088	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+Na+K"	61.952376
"1676775"	326.027488	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Na+K"	61.952376
"261108"	1244.220968	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+ACN+Na"	64.015768
"1234912"	654.118368	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+ACN+Na"	64.015768
"1716870"	654.141893	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+NH4+HCOOH"	64.039293
"1188058"	219.690084666667	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+3Na"	68.967654
"1659044"	659.097288	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Na+HCOOH"	68.994688
"166998"	1257.12424	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+2K-H"	76.91904
"604371"	1847.22684	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+2K-H"	76.91904
"1099840"	667.02164	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2K-H"	76.91904
"154445"	629.065758	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"2M+2K"	77.926316
"584164"	924.117058	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"3M+2K"	77.926316
"1070864"	334.014458	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2K"	77.926316
"1104437"	669.036192	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2K+H"	78.933592
"1337906"	669.123807	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+DMSO+H"	79.021207
"1011178"	673.162976	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2ACN+H"	83.060376
"1525656"	674.156608	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+IsoProp+Na+H"	84.054008
"993566"	337.085126	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+2ACN+2H"	84.067652
"1590256"	675.071228	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+K+HCOOH"	84.968628
"1418107"	705.102738	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+H+CF3COOH"	115.000138
"1149123"	357.598401	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+3ACN+2H"	125.094202
"1697950"	722.129285	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+NH4+CF3COOH"	132.026685
"1642350"	727.08468	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+Na+CF3COOH"	136.98208
"1583468"	743.05862	"C19961"	"UDP-4-amino-46-dideoxy-N-acetyl-beta-L-altrosamine;UDP-4-amino-46-dideoxy-beta-L-AltNAc;UDP-2-acetamido-4-amino-246-trideoxy-beta-L-altrose"	"C17H28N4O15P2"	"590.1026"	"M+K+CF3COOH"	152.95602
"803991"	286.2297	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M"	0
"980808"	267.21131	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"63094"	189.812524	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"508613"	285.222424	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"887509"	94.402624	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"4989"	285.222424	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"441633"	428.337274	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"828915"	142.107574	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"91707"	571.452124	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"524096"	857.681824	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"901897"	285.222424	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"54084"	588.478671	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"490361"	874.708371	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"867798"	302.248971	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"33511"	593.434066	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"473800"	879.663766	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"850874"	307.204366	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1620407"	307.204366	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"94789"	303.210763	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"534386"	446.325613	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"927461"	160.095913	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"267963"	607.428802	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"662452"	893.658502	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1274855"	321.199102	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"16805"	609.408006	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"463537"	895.637706	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"836965"	323.178306	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1557173"	323.178306	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"947245"	331.227894	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"363271"	617.457601	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"349709"	631.473251	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1495264"	345.243551	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"964630"	353.209851	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"114995"	321.199102	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"555649"	464.313952	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1025178"	178.084252	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1246947"	365.148585	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1309397"	367.204572	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1327989"	389.186529	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"920139"	399.215286	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1299036"	435.191964	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1375011"	251.217024	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1384488"	269.227	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"287821"	573.466676	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"680242"	859.696376	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1356591"	287.236976	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H"	1.007276
"127292"	287.236976	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"567947"	430.351826	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1037592"	144.122126	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"207202"	191.827076	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"646399"	287.236976	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1165621"	96.417176	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"424392"	590.493223	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"788794"	876.722923	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1687312"	304.263523	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"333404"	295.7502495	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"726919"	438.8650995	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1485112"	152.6353995	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"397231"	595.448618	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"759320"	881.678318	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1610699"	309.218918	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"318550"	298.227947	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"709877"	441.342797	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1465882"	155.113097	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1056939"	103.74449	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1259346"	319.263186	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"378286"	611.422558	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"742929"	897.652258	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1544980"	325.192858	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+K"	38.963158
"303253"	306.214917	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"694219"	449.329767	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1448404"	163.100067	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"239192"	614.493226	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1218103"	328.263526	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1207455"	164.635401	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"201058"	617.43056	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"637705"	903.66026	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1142301"	331.20086	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"181217"	309.218918	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"619318"	452.333768	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1121730"	166.104068	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1410358"	111.071804	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1436276"	333.242446	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"229620"	314.25194	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1511123"	347.29449	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"410810"	317.205888	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"777274"	460.320738	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1675792"	174.091038	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"263405"	636.475168	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1235022"	350.245468	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1718441"	350.268993	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1188168"	118.399118	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1661340"	355.224388	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"166015"	649.37844	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"604479"	935.60814	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1096648"	363.14874	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"153462"	325.192858	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"594969"	468.307708	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1074254"	182.078008	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1103089"	365.163292	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1341661"	365.250907	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1018333"	369.290076	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1527227"	370.283708	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"991488"	185.148676	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1588663"	371.198328	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1417124"	401.229838	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1148139"	205.661951	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1698060"	418.256385	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1642460"	423.21178	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1583578"	439.18572	"C19962"	"13-cis-Retinol;Neovitamin A"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"813942"	290.261	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M"	0
"977638"	271.24261	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"64297"	192.500057333333	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"506535"	289.253724	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"881299"	95.7463906666667	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"1085"	289.253724	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"440524"	434.384224	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"827932"	144.123224	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"93274"	579.514724	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"529674"	869.775724	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"898728"	289.253724	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"57474"	596.541271	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"489746"	886.802271	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"869370"	306.280271	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"36174"	601.496666	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"475371"	891.757666	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"853538"	311.235666	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1620881"	311.235666	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"98505"	307.242063	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"535882"	452.372563	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"929396"	162.111563	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"270141"	615.491402	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"671309"	905.752402	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1281526"	325.230402	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"18618"	617.470606	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"468021"	907.731606	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"839263"	327.209606	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1561659"	327.209606	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"955011"	335.259194	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"369945"	625.520201	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"358203"	639.535851	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1496467"	349.274851	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"964740"	357.241151	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"116928"	325.230402	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"555759"	470.360902	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1031849"	180.099902	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1244139"	369.179885	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1308776"	371.235872	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1322141"	393.217829	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"915146"	403.246586	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1292949"	439.223264	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1370382"	255.248324	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1384234"	273.2583	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"287202"	581.529276	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"677310"	871.790276	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1353052"	291.268276	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H"	1.007276
"126916"	291.268276	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"568422"	436.398776	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1037942"	146.137776	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"209134"	194.514609333333	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"648696"	291.268276	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1165002"	97.7609426666667	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"425114"	598.555823	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"788174"	888.816823	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1683047"	308.294823	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"331327"	299.7815495	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"730308"	444.9120495	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1483035"	154.6510495	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"395153"	603.511218	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"757241"	893.772218	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1606433"	313.250218	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"316108"	302.259247	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"711080"	447.389747	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1464898"	157.128747	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1057053"	105.088256666667	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1264197"	323.294486	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"380586"	619.485158	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"742674"	909.746158	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1545454"	329.224158	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+K"	38.963158
"302999"	310.246217	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"695057"	455.376717	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1448516"	165.115717	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"246600"	622.555826	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1216029"	332.294826	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1202098"	166.651051	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"194970"	625.49316	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"636721"	915.75416	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1134758"	335.23216	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"180234"	313.250218	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"620888"	458.380718	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1125488"	168.119718	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1400627"	112.415570666667	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1433473"	337.273746	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"225358"	318.28324	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1511235"	351.32579	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"409339"	321.237188	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"777384"	466.367688	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1673715"	176.106688	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"255862"	644.537768	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1230758"	354.276768	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1718551"	354.300293	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1183907"	119.742884666667	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1655985"	359.255688	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"165030"	657.44104	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"607869"	947.70204	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1094569"	367.18004	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"152481"	329.224158	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"584385"	474.354658	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1074364"	184.093658	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1100768"	369.194592	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1338854"	369.282207	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1010300"	373.321376	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1528435"	374.315008	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"992330"	187.164326	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1591575"	375.229628	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1417234"	405.261138	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1150072"	207.677601	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1705824"	422.287685	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1648038"	427.24308	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1583688"	443.21702	"C19963"	"Tuberculosinol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"810774"	290.261	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M"	0
"981028"	271.24261	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"75831"	192.500057333333	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"506644"	289.253724	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"881891"	95.7463906666667	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"1078"	289.253724	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"440757"	434.384224	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"830228"	144.123224	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"93709"	579.514724	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"530877"	869.775724	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"908678"	289.253724	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"62488"	596.541271	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"498239"	886.802271	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"872761"	306.280271	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"40661"	601.496666	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"478035"	891.757666	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"852555"	311.235666	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1620268"	311.235666	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"102993"	307.242063	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"538179"	452.372563	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"930602"	162.111563	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"279002"	615.491402	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"671423"	905.752402	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1279452"	325.230402	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"22008"	617.470606	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"468131"	907.731606	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"841561"	327.209606	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1568330"	327.209606	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"955121"	335.259194	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"374797"	625.520201	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"356126"	639.535851	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1497670"	349.274851	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"966307"	357.241151	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"117039"	325.230402	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"556962"	470.360902	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1024304"	180.099902	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1245343"	369.179885	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1304508"	371.235872	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1322011"	393.217829	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"912824"	403.246586	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1291965"	439.223264	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1369034"	255.248324	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1384346"	273.2583	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"284271"	581.529276	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"676935"	871.790276	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1351823"	291.268276	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H"	1.007276
"130795"	291.268276	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"569626"	436.398776	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1038790"	146.137776	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"208515"	194.514609333333	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"648808"	291.268276	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1166933"	97.7609426666667	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"426925"	598.555823	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"788284"	888.816823	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1686437"	308.294823	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"334718"	299.7815495	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"731512"	444.9120495	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1482053"	154.6510495	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"399638"	603.511218	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"762820"	893.772218	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1606544"	313.250218	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"322049"	302.259247	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"713376"	447.389747	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1467198"	157.128747	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1059350"	105.088256666667	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1262122"	323.294486	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"379236"	619.485158	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"740962"	909.746158	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1543741"	329.224158	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+K"	38.963158
"301285"	310.246217	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"697720"	455.376717	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1452634"	165.115717	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"245617"	622.555826	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1218325"	332.294826	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1203302"	166.651051	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"201641"	625.49316	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"640839"	915.75416	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1138148"	335.23216	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"180344"	313.250218	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"620998"	458.380718	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1127784"	168.119718	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1399279"	112.415570666667	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1433583"	337.273746	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"221822"	318.28324	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1512438"	351.32579	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"409691"	321.237188	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"775308"	466.367688	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1669454"	176.106688	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"253788"	644.537768	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1230501"	354.276768	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1712834"	354.300293	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1179432"	119.742884666667	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1654634"	359.255688	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"160036"	657.44104	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"602512"	947.70204	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1088116"	367.18004	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"149311"	329.224158	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"583399"	474.354658	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1071192"	184.093658	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1100513"	369.194592	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1337871"	369.282207	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1008222"	373.321376	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1527451"	374.315008	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"993902"	187.164326	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1590226"	375.229628	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1419532"	405.261138	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1152008"	207.677601	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1702653"	422.287685	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1642679"	427.24308	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1583798"	443.21702	"C19964"	"(13S)-Isotuberculosinol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"802134"	646.1956	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M"	0
"981137"	627.17721	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-H2O-H"	-19.01839
"73754"	429.789790666667	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M-3H"	-3.021828
"503230"	645.188324	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M-3H"	-3.021828
"880665"	214.391257333333	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-3H"	-3.021828
"946"	645.188324	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M-2H"	-2.014552
"440065"	968.286124	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M-2H"	-2.014552
"819765"	322.090524	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-2H"	-2.014552
"90331"	1291.383924	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M-H"	-1.007276
"533418"	1937.579524	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M-H"	-1.007276
"908788"	645.188324	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-H"	-1.007276
"57695"	1308.410471	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M-2H+NH4"	16.019271
"495069"	1954.606071	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M-2H+NH4"	16.019271
"872871"	662.214871	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-2H+NH4"	16.019271
"38584"	1313.365866	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M-2H+Na"	20.974666
"474865"	1959.561466	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M-2H+Na"	20.974666
"852665"	667.170266	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-2H+Na"	20.974666
"1620014"	667.170266	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Na-2H"	20.974666
"103103"	663.176663	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M-H+Cl"	33.962126
"538289"	986.274463	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M-H+Cl"	33.962126
"930712"	340.078863	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-H+Cl"	33.962126
"279112"	1327.360602	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+Cl"	34.969402
"671533"	1973.556202	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+Cl"	34.969402
"1279562"	681.165002	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Cl"	34.969402
"22118"	1329.339806	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M-2H+K"	36.948606
"467148"	1975.535406	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M-2H+K"	36.948606
"841671"	683.144206	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-2H+K"	36.948606
"1569900"	683.144206	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+K-2H"	36.948606
"956324"	691.193794	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-H+HCOOH"	44.998194
"373451"	1337.389401	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+HCOOH-H"	44.998201
"357329"	1351.405051	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+Hac-H"	59.013851
"1498509"	705.209451	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Hac-H"	59.013851
"968239"	713.175751	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-H+NaCOOH"	66.980151
"118241"	681.165002	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+2Cl"	69.938804
"555249"	1004.262802	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+2Cl"	69.938804
"1024777"	358.067202	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2Cl"	69.938804
"1242171"	725.114485	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Br"	78.918885
"1304620"	727.170472	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Cl+HCOOH"	80.974872
"1323580"	749.152429	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Cl+NaCOOH"	102.956829
"911760"	759.181186	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M-H+CF3COOH"	112.985586
"1292806"	795.157864	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Cl+CF3COOH"	148.962264
"1372064"	611.182924	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H-2H2O"	-35.012676
"1387375"	629.1929	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H-H2O"	-17.0027
"287060"	1293.398476	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+H"	1.007276
"677658"	1939.594076	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+H"	1.007276
"1353277"	647.202876	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H"	1.007276
"130905"	647.202876	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+2H"	2.014552
"573747"	970.300676	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+2H"	2.014552
"1044734"	324.105076	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2H"	2.014552
"208261"	431.804342666667	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+3H"	3.021828
"653294"	647.202876	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+3H"	3.021828
"1167047"	216.405809333333	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+3H"	3.021828
"431410"	1310.425023	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+NH4"	18.033823
"791311"	1956.620623	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+NH4"	18.033823
"1686550"	664.229423	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+NH4"	18.033823
"334100"	655.7161495	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+H+NH4"	19.041099
"730529"	978.8139495	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+H+NH4"	19.041099
"1485445"	332.6183495	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H+NH4"	19.041099
"399750"	1315.380418	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+Na"	22.989218
"762931"	1961.576018	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+Na"	22.989218
"1609938"	669.184818	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Na"	22.989218
"319244"	658.193847	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+H+Na"	23.996494
"716767"	981.291647	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+H+Na"	23.996494
"1468401"	335.096047	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H+Na"	23.996494
"1060553"	223.733123333333	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2H+Na"	25.00377
"1263324"	679.229086	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+CH3OH+H"	33.033486
"380804"	1331.354358	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+K"	38.963158
"742895"	1977.549958	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+K"	38.963158
"1542758"	685.158758	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+K"	38.963158
"300667"	666.180817	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+H+K"	39.970434
"697830"	989.278617	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+H+K"	39.970434
"1451650"	343.083017	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H+K"	39.970434
"245727"	1334.425026	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+ACN+H"	42.033826
"1217342"	688.229426	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+ACN+H"	42.033826
"1203412"	344.618351	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+ACN+2H"	43.041102
"201751"	1337.36236	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+2Na-H"	44.97116
"639493"	1983.55796	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+2Na-H"	44.97116
"1138258"	691.16676	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2Na-H"	44.97116
"180454"	669.184818	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+2Na"	45.978436
"621108"	992.282618	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+2Na"	45.978436
"1124614"	346.087018	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2Na"	45.978436
"1401576"	231.060437333333	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H+2Na"	46.985712
"1434786"	693.208346	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H+HCOOH"	47.012746
"221568"	674.21784	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+3H2O+2H"	56.04448
"1514736"	707.26039	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+IsoProp+H"	61.06479
"411505"	677.171788	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+Na+K"	61.952376
"776511"	1000.269588	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+Na+K"	61.952376
"1671749"	354.073988	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Na+K"	61.952376
"257177"	1356.406968	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+ACN+Na"	64.015768
"1230611"	710.211368	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+ACN+Na"	64.015768
"1715489"	710.234893	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+NH4+HCOOH"	64.039293
"1178893"	238.387751333333	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+3Na"	68.967654
"1657296"	715.190288	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Na+HCOOH"	68.994688
"160146"	1369.31024	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+2K-H"	76.91904
"602623"	2015.50584	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+2K-H"	76.91904
"1088227"	723.11464	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2K-H"	76.91904
"151606"	685.158758	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"2M+2K"	77.926316
"582903"	1008.256558	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"3M+2K"	77.926316
"1071303"	362.060958	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2K"	77.926316
"1100623"	725.129192	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2K+H"	78.933592
"1337615"	725.216807	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+DMSO+H"	79.021207
"1007238"	729.255976	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2ACN+H"	83.060376
"1529746"	730.249608	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+IsoProp+Na+H"	84.054008
"996198"	365.131626	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+2ACN+2H"	84.067652
"1591794"	731.164228	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+K+HCOOH"	84.968628
"1417456"	761.195738	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+H+CF3COOH"	115.000138
"1149201"	385.644901	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+3ACN+2H"	125.094202
"1702763"	778.222285	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+NH4+CF3COOH"	132.026685
"1642789"	783.17768	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+Na+CF3COOH"	136.98208
"1583908"	799.15162	"C19965"	"beta-D-4-Deoxy-delta4-GlcA-(1-4)-beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C24H38O20"	"646.1956"	"M+K+CF3COOH"	152.95602
"804431"	488.1741	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M"	0
"984527"	469.15571	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-H2O-H"	-19.01839
"73864"	324.442124	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M-3H"	-3.021828
"507956"	487.166824	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M-3H"	-3.021828
"880165"	161.717424	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-3H"	-3.021828
"159"	487.166824	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M-2H"	-2.014552
"443897"	731.253874	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M-2H"	-2.014552
"826076"	243.079774	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-2H"	-2.014552
"90447"	975.340924	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M-H"	-1.007276
"527816"	1463.515024	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M-H"	-1.007276
"908898"	487.166824	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-H"	-1.007276
"57805"	992.367471	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M-2H+NH4"	16.019271
"498459"	1480.541571	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M-2H+NH4"	16.019271
"875169"	504.193371	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-2H+NH4"	16.019271
"44162"	997.322866	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M-2H+Na"	20.974666
"481536"	1485.496966	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M-2H+Na"	20.974666
"856058"	509.148766	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-2H+Na"	20.974666
"1619756"	509.148766	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Na-2H"	20.974666
"103213"	505.155163	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M-H+Cl"	33.962126
"534875"	749.242213	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M-H+Cl"	33.962126
"937383"	261.068113	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-H+Cl"	33.962126
"278859"	1011.317602	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+Cl"	34.969402
"673830"	1499.491702	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+Cl"	34.969402
"1282953"	523.143502	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Cl"	34.969402
"23323"	1013.296806	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M-2H+K"	36.948606
"469445"	1501.470906	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M-2H+K"	36.948606
"841781"	525.122706	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-2H+K"	36.948606
"1569647"	525.122706	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+K-2H"	36.948606
"956434"	533.172294	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-H+HCOOH"	44.998194
"373560"	1021.346401	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+HCOOH-H"	44.998201
"360600"	1035.362051	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+Hac-H"	59.013851
"1498254"	547.187951	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Hac-H"	59.013851
"969442"	555.154251	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-H+NaCOOH"	66.980151
"118351"	523.143502	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+2Cl"	69.938804
"555724"	767.230552	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+2Cl"	69.938804
"1025253"	279.056452	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2Cl"	69.938804
"1241633"	567.092985	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Br"	78.918885
"1307650"	569.148972	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Cl+HCOOH"	80.974872
"1322962"	591.130929	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Cl+NaCOOH"	102.956829
"918395"	601.159686	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M-H+CF3COOH"	112.985586
"1292916"	637.136364	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Cl+CF3COOH"	148.962264
"1368894"	453.161424	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H-2H2O"	-35.012676
"1385299"	471.1714	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H-H2O"	-17.0027
"284618"	977.355476	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+H"	1.007276
"676673"	1465.529576	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+H"	1.007276
"1351929"	489.181376	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H"	1.007276
"127735"	489.181376	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+2H"	2.014552
"565793"	733.268426	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+2H"	2.014552
"1037177"	245.094326	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2H"	2.014552
"208371"	326.456676	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+3H"	3.021828
"653402"	489.181376	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+3H"	3.021828
"1166062"	163.731976	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+3H"	3.021828
"428240"	994.382023	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+NH4"	18.033823
"790327"	1482.556123	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+NH4"	18.033823
"1685565"	506.207923	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+NH4"	18.033823
"337122"	497.6946495	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+H+NH4"	19.041099
"725170"	741.7816995	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+H+NH4"	19.041099
"1485551"	253.6075995	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H+NH4"	19.041099
"393051"	999.337418	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+Na"	22.989218
"757572"	1487.511518	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+Na"	22.989218
"1607857"	511.163318	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Na"	22.989218
"316800"	500.172347	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+H+Na"	23.996494
"711409"	744.259397	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+H+Na"	23.996494
"1468509"	256.085297	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H+Na"	23.996494
"1062848"	171.05929	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2H+Na"	25.00377
"1264529"	521.207586	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+CH3OH+H"	33.033486
"380915"	1015.311358	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+K"	38.963158
"746286"	1503.485458	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+K"	38.963158
"1541048"	527.137258	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+K"	38.963158
"300048"	508.159317	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+H+K"	39.970434
"696845"	752.246367	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+H+K"	39.970434
"1452857"	264.072267	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H+K"	39.970434
"249117"	1018.382026	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+ACN+H"	42.033826
"1220732"	530.207926	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+ACN+H"	42.033826
"1206806"	265.607601	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+ACN+2H"	43.041102
"201133"	1021.31936	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+2Na-H"	44.97116
"638146"	1509.49346	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+2Na-H"	44.97116
"1141649"	533.14526	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2Na-H"	44.97116
"177285"	511.163318	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+2Na"	45.978436
"620492"	755.250368	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+2Na"	45.978436
"1122539"	267.076268	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2Na"	45.978436
"1403874"	178.386604	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H+2Na"	46.985712
"1434896"	535.186846	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H+HCOOH"	47.012746
"226781"	516.19634	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+3H2O+2H"	56.04448
"1517033"	549.23889	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+IsoProp+H"	61.06479
"414532"	519.150288	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+Na+K"	61.952376
"779904"	763.237338	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+Na+K"	61.952376
"1671860"	275.063238	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Na+K"	61.952376
"258379"	1040.363968	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+ACN+Na"	64.015768
"1227078"	552.189868	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+ACN+Na"	64.015768
"1715235"	552.213393	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+NH4+HCOOH"	64.039293
"1187515"	185.713918	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+3Na"	68.967654
"1651210"	557.168788	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Na+HCOOH"	68.994688
"163174"	1053.26724	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+2K-H"	76.91904
"603828"	1541.44134	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+2K-H"	76.91904
"1088339"	565.09314	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2K-H"	76.91904
"150623"	527.137258	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"2M+2K"	77.926316
"584715"	771.224308	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"3M+2K"	77.926316
"1072506"	283.050208	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2K"	77.926316
"1101707"	567.107692	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2K+H"	78.933592
"1337725"	567.195307	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+DMSO+H"	79.021207
"1007348"	571.234476	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2ACN+H"	83.060376
"1529856"	572.228108	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+IsoProp+Na+H"	84.054008
"994120"	286.120876	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+2ACN+2H"	84.067652
"1587897"	573.142728	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+K+HCOOH"	84.968628
"1418660"	603.174238	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+H+CF3COOH"	115.000138
"1153324"	306.634151	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+3ACN+2H"	125.094202
"1705061"	620.200785	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+NH4+CF3COOH"	132.026685
"1642899"	625.15618	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+Na+CF3COOH"	136.98208
"1584018"	641.13012	"C19966"	"beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc"	"C18H32O15"	"488.1741"	"M+K+CF3COOH"	152.95602
"804541"	522.9907	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M"	0
"978076"	503.97231	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H2O-H"	-19.01839
"66319"	347.653190666667	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-3H"	-3.021828
"505877"	521.983424	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-3H"	-3.021828
"883677"	173.322957333333	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-3H"	-3.021828
"469"	521.983424	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H"	-2.014552
"445100"	783.478774	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H"	-2.014552
"826184"	260.488074	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H"	-2.014552
"90190"	1044.974124	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-H"	-1.007276
"530480"	1567.964824	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-H"	-1.007276
"906823"	521.983424	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H"	-1.007276
"57915"	1062.000671	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+NH4"	16.019271
"495289"	1584.991371	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+NH4"	16.019271
"875279"	539.009971	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+NH4"	16.019271
"40992"	1066.956066	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+Na"	20.974666
"478366"	1589.946766	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+Na"	20.974666
"856168"	543.965366	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+Na"	20.974666
"1618771"	543.965366	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na-2H"	20.974666
"103323"	539.971763	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-H+Cl"	33.962126
"537416"	801.467113	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-H+Cl"	33.962126
"937493"	278.476413	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+Cl"	33.962126
"279698"	1080.950802	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Cl"	34.969402
"672483"	1603.941502	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Cl"	34.969402
"1281970"	557.960102	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl"	34.969402
"24526"	1082.930006	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+K"	36.948606
"465183"	1605.920706	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+K"	36.948606
"841891"	559.939306	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+K"	36.948606
"1569758"	559.939306	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K-2H"	36.948606
"954357"	567.988894	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+HCOOH"	44.998194
"374399"	1090.979601	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+HCOOH-H"	44.998201
"360829"	1104.995251	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Hac-H"	59.013851
"1499823"	582.004551	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Hac-H"	59.013851
"966275"	589.970851	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+NaCOOH"	66.980151
"117369"	557.960102	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Cl"	69.938804
"557293"	819.455452	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Cl"	69.938804
"1026822"	296.464752	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Cl"	69.938804
"1242392"	601.909585	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Br"	78.918885
"1308854"	603.965572	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+HCOOH"	80.974872
"1323072"	625.947529	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+NaCOOH"	102.956829
"918505"	635.976286	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+CF3COOH"	112.985586
"1290474"	671.952964	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+CF3COOH"	148.962264
"1375564"	487.978024	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H-2H2O"	-35.012676
"1384316"	505.988	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H-H2O"	-17.0027
"287281"	1046.988676	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H"	1.007276
"679701"	1569.979376	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H"	1.007276
"1353132"	523.997976	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H"	1.007276
"132219"	523.997976	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2H"	2.014552
"570687"	785.493326	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2H"	2.014552
"1040579"	262.502626	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2H"	2.014552
"210667"	349.667742666667	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+3H"	3.021828
"645854"	523.997976	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+3H"	3.021828
"1166168"	175.337509333333	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3H"	3.021828
"428350"	1064.015223	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+NH4"	18.033823
"788250"	1587.005923	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+NH4"	18.033823
"1685675"	541.024523	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4"	18.033823
"333952"	532.5112495	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+NH4"	19.041099
"724187"	794.0065995	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+NH4"	19.041099
"1478006"	271.0158995	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+NH4"	19.041099
"394858"	1068.970618	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Na"	22.989218
"755616"	1591.961318	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Na"	22.989218
"1603504"	545.979918	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na"	22.989218
"316175"	534.988947	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+Na"	23.996494
"708356"	796.484297	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+Na"	23.996494
"1463152"	273.493597	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+Na"	23.996494
"1057491"	182.664823333333	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2H+Na"	25.00377
"1264639"	556.024186	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+CH3OH+H"	33.033486
"381026"	1084.944558	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+K"	38.963158
"739836"	1607.935258	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+K"	38.963158
"1541889"	561.953858	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K"	38.963158
"305626"	542.975917	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+K"	39.970434
"695861"	804.471267	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+K"	39.970434
"1454057"	281.480567	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+K"	39.970434
"248499"	1088.015226	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+ACN+H"	42.033826
"1220842"	565.024526	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+H"	42.033826
"1205458"	283.015901	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+2H"	43.041102
"199787"	1090.95256	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Na-H"	44.97116
"638253"	1613.94326	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Na-H"	44.97116
"1138479"	567.96186	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Na-H"	44.97116
"175449"	545.979918	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Na"	45.978436
"615861"	807.475268	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Na"	45.978436
"1119367"	284.484568	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Na"	45.978436
"1401797"	189.992137333333	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+2Na"	46.985712
"1437193"	570.003446	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+HCOOH"	47.012746
"225798"	551.01294	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+3H2O+2H"	56.04448
"1519330"	584.05549	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+IsoProp+H"	61.06479
"409049"	553.966888	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Na+K"	61.952376
"774179"	815.462238	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Na+K"	61.952376
"1676343"	292.471538	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+K"	61.952376
"260677"	1109.997168	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+ACN+Na"	64.015768
"1231197"	587.006468	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+Na"	64.015768
"1716803"	587.029993	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4+HCOOH"	64.039293
"1186531"	197.319451333333	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3Na"	68.967654
"1651318"	591.985388	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+HCOOH"	68.994688
"160367"	1122.90044	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2K-H"	76.91904
"601751"	1645.89114	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2K-H"	76.91904
"1089541"	599.90974	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K-H"	76.91904
"147451"	561.953858	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2K"	77.926316
"583366"	823.449208	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2K"	77.926316
"1072616"	300.458508	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K"	77.926316
"1101817"	601.924292	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K+H"	78.933592
"1337107"	602.011907	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+DMSO+H"	79.021207
"1008552"	606.051076	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2ACN+H"	83.060376
"1529966"	607.044708	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+IsoProp+Na+H"	84.054008
"995323"	303.529176	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2ACN+2H"	84.067652
"1588733"	607.959328	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K+HCOOH"	84.968628
"1418770"	637.990838	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+CF3COOH"	115.000138
"1155621"	324.042451	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3ACN+2H"	125.094202
"1705171"	655.017385	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4+CF3COOH"	132.026685
"1636448"	659.97278	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+CF3COOH"	136.98208
"1584128"	675.94672	"C19967"	"8-Oxo-dGTP;8-Oxodeoxyguanosine triphosphate;8-Oxo-78-dihydro-2-deoxyguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K+CF3COOH"	152.95602
"811212"	363.058	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M"	0
"988030"	344.03961	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-H2O-H"	-19.01839
"70804"	241.031390666667	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M-3H"	-3.021828
"505259"	362.050724	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M-3H"	-3.021828
"883788"	120.012057333333	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-3H"	-3.021828
"13306"	362.050724	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M-2H"	-2.014552
"450679"	543.579724	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M-2H"	-2.014552
"827389"	180.521724	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-2H"	-2.014552
"90303"	725.108724	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M-H"	-1.007276
"529497"	1088.166724	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M-H"	-1.007276
"907298"	362.050724	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-H"	-1.007276
"57301"	742.135271	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M-2H+NH4"	16.019271
"496495"	1105.193271	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M-2H+NH4"	16.019271
"872108"	379.077271	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-2H+NH4"	16.019271
"41102"	747.090666	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M-2H+Na"	20.974666
"478475"	1110.148666	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M-2H+Na"	20.974666
"854091"	384.032666	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-2H+Na"	20.974666
"1622530"	384.032666	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Na-2H"	20.974666
"106716"	380.039063	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M-H+Cl"	33.962126
"544088"	561.568063	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M-H+Cl"	33.962126
"940883"	198.510063	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-H+Cl"	33.962126
"271786"	761.085402	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+Cl"	34.969402
"671861"	1124.143402	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+Cl"	34.969402
"1284268"	398.027402	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Cl"	34.969402
"23543"	763.064606	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M-2H+K"	36.948606
"466386"	1126.122606	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M-2H+K"	36.948606
"842003"	400.006606	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-2H+K"	36.948606
"1568046"	400.006606	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+K-2H"	36.948606
"950097"	408.056194	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-H+HCOOH"	44.998194
"368309"	771.114201	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+HCOOH-H"	44.998201
"351098"	785.129851	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+Hac-H"	59.013851
"1500298"	422.071851	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Hac-H"	59.013851
"965291"	430.038151	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-H+NaCOOH"	66.980151
"116023"	398.027402	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+2Cl"	69.938804
"555582"	579.556402	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+2Cl"	69.938804
"1031314"	216.498402	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2Cl"	69.938804
"1250895"	441.976885	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Br"	78.918885
"1313346"	444.032872	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Cl+HCOOH"	80.974872
"1330838"	466.014829	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Cl+NaCOOH"	102.956829
"921897"	476.043586	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M-H+CF3COOH"	112.985586
"1300792"	512.020264	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Cl+CF3COOH"	148.962264
"1374585"	328.045324	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H-2H2O"	-35.012676
"1385519"	346.0553	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H-H2O"	-17.0027
"286298"	727.123276	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+H"	1.007276
"679813"	1090.181276	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+H"	1.007276
"1361631"	364.065276	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H"	1.007276
"132332"	364.065276	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+2H"	2.014552
"568611"	545.594276	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+2H"	2.014552
"1039717"	182.536276	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2H"	2.014552
"207498"	243.045942666667	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+3H"	3.021828
"647058"	364.065276	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+3H"	3.021828
"1168465"	122.026609333333	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+3H"	3.021828
"430649"	744.149823	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+NH4"	18.033823
"790548"	1107.207823	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+NH4"	18.033823
"1689066"	381.091823	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+NH4"	18.033823
"334063"	372.5785495	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+H+NH4"	19.041099
"728671"	554.1075495	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+H+NH4"	19.041099
"1486865"	191.0495495	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H+NH4"	19.041099
"402265"	749.105218	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+Na"	22.989218
"764355"	1112.163218	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+Na"	22.989218
"1609171"	386.047218	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Na"	22.989218
"323582"	375.056247	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+H+Na"	23.996494
"719286"	556.585247	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+H+Na"	23.996494
"1473106"	193.527247	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H+Na"	23.996494
"1064163"	129.353923333333	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2H+Na"	25.00377
"1270216"	396.091486	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+CH3OH+H"	33.033486
"386603"	765.079158	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+K"	38.963158
"745413"	1128.137158	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+K"	38.963158
"1552206"	402.021158	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+K"	38.963158
"311934"	383.043217	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+H+K"	39.970434
"700346"	564.572217	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+H+K"	39.970434
"1454169"	201.514217	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H+K"	39.970434
"248977"	768.149826	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+ACN+H"	42.033826
"1221687"	405.091826	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+ACN+H"	42.033826
"1206663"	203.049551	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+ACN+2H"	43.041102
"199895"	771.08716	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+2Na-H"	44.97116
"641648"	1134.14516	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+2Na-H"	44.97116
"1144789"	408.02916	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2Na-H"	44.97116
"184798"	386.047218	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+2Na"	45.978436
"622535"	567.576218	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+2Na"	45.978436
"1127864"	204.518218	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2Na"	45.978436
"1412240"	136.681237333333	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H+2Na"	46.985712
"1442775"	410.070746	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H+HCOOH"	47.012746
"233564"	391.08024	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+3H2O+2H"	56.04448
"1521630"	424.12279	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+IsoProp+H"	61.06479
"419130"	394.034188	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+Na+K"	61.952376
"782313"	575.563188	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+Na+K"	61.952376
"1675363"	212.505188	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Na+K"	61.952376
"261883"	790.131768	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+ACN+Na"	64.015768
"1231309"	427.073768	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+ACN+Na"	64.015768
"1719103"	427.097293	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+NH4+HCOOH"	64.039293
"1186643"	144.008551333333	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+3Na"	68.967654
"1654350"	432.052688	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Na+HCOOH"	68.994688
"162303"	803.03504	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+2K-H"	76.91904
"604050"	1166.09304	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+2K-H"	76.91904
"1087104"	439.97704	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2K-H"	76.91904
"143192"	402.021158	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"2M+2K"	77.926316
"587126"	583.550158	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"3M+2K"	77.926316
"1073826"	220.492158	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2K"	77.926316
"1103755"	441.991592	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2K+H"	78.933592
"1339047"	442.079207	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+DMSO+H"	79.021207
"1007815"	446.118376	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2ACN+H"	83.060376
"1527153"	447.112008	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+IsoProp+Na+H"	84.054008
"992148"	223.562826	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+2ACN+2H"	84.067652
"1591032"	448.026628	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+K+HCOOH"	84.968628
"1423256"	478.058138	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+H+CF3COOH"	115.000138
"1156823"	244.076101	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+3ACN+2H"	125.094202
"1705281"	495.084685	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+NH4+CF3COOH"	132.026685
"1639838"	500.04008	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+Na+CF3COOH"	136.98208
"1584238"	516.01402	"C19968"	"8-Oxo-dGMP;2-Deoxy-78-dihydro-8-oxo-5-guanylate;8-Hydroxydeoxyguanosine 5-monophosphate"	"C10H14N5O8P"	"363.058"	"M+K+CF3COOH"	152.95602
"811322"	506.9957	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M"	0
"984857"	487.97731	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H2O-H"	-19.01839
"72008"	336.989857333333	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-3H"	-3.021828
"503547"	505.988424	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-3H"	-3.021828
"880860"	167.991290666667	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-3H"	-3.021828
"6854"	505.988424	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H"	-2.014552
"447507"	759.486274	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H"	-2.014552
"824219"	252.490574	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H"	-2.014552
"91141"	1012.984124	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-H"	-1.007276
"530337"	1519.979824	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-H"	-1.007276
"908135"	505.988424	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H"	-1.007276
"53764"	1030.010671	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+NH4"	16.019271
"494418"	1537.006371	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+NH4"	16.019271
"872220"	523.014971	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+NH4"	16.019271
"35745"	1034.966066	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+Na"	20.974666
"475307"	1541.961766	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+Na"	20.974666
"857483"	527.970366	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+Na"	20.974666
"1633456"	527.970366	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na-2H"	20.974666
"108651"	523.976763	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-H+Cl"	33.962126
"546387"	777.474613	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-H+Cl"	33.962126
"940994"	270.478913	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+Cl"	33.962126
"277365"	1048.960802	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Cl"	34.969402
"670880"	1555.956502	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Cl"	34.969402
"1284379"	541.965102	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl"	34.969402
"27665"	1050.940006	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M-2H+K"	36.948606
"467594"	1557.935706	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M-2H+K"	36.948606
"845398"	543.944306	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-2H+K"	36.948606
"1569251"	543.944306	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K-2H"	36.948606
"952394"	551.993894	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+HCOOH"	44.998194
"370607"	1058.989601	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+HCOOH-H"	44.998201
"353397"	1073.005251	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Hac-H"	59.013851
"1501138"	566.009551	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Hac-H"	59.013851
"969047"	573.975851	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+NaCOOH"	66.980151
"115768"	541.965102	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Cl"	69.938804
"553141"	795.462952	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Cl"	69.938804
"1031424"	288.467252	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Cl"	69.938804
"1251004"	585.914585	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Br"	78.918885
"1319288"	587.970572	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+HCOOH"	80.974872
"1329855"	609.952529	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+NaCOOH"	102.956829
"922007"	619.981286	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M-H+CF3COOH"	112.985586
"1301995"	655.957964	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Cl+CF3COOH"	148.962264
"1381256"	471.983024	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H-2H2O"	-35.012676
"1383564"	489.993	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H-H2O"	-17.0027
"286409"	1014.998676	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H"	1.007276
"677737"	1521.994376	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H"	1.007276
"1360646"	508.002976	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H"	1.007276
"132441"	508.002976	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2H"	2.014552
"568721"	761.500826	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2H"	2.014552
"1037637"	254.505126	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2H"	2.014552
"207608"	339.004409333333	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+3H"	3.021828
"647168"	508.002976	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+3H"	3.021828
"1167482"	170.005842666667	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3H"	3.021828
"429665"	1032.025223	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+NH4"	18.033823
"791755"	1539.020923	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+NH4"	18.033823
"1685897"	525.029523	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4"	18.033823
"336361"	516.5162495	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+NH4"	19.041099
"730969"	770.0140995	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+NH4"	19.041099
"1486976"	263.0183995	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+NH4"	19.041099
"400189"	1036.980618	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Na"	22.989218
"761187"	1543.976318	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Na"	22.989218
"1610375"	529.984918	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na"	22.989218
"322601"	518.993947	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+Na"	23.996494
"719395"	772.491797	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+Na"	23.996494
"1469936"	265.496097	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+Na"	23.996494
"1067071"	177.333156666667	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2H+Na"	25.00377
"1271057"	540.029186	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+CH3OH+H"	33.033486
"387808"	1052.954558	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+K"	38.963158
"747711"	1559.950258	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+K"	38.963158
"1546483"	545.958858	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K"	38.963158
"306942"	526.980917	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+H+K"	39.970434
"697177"	780.478767	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+H+K"	39.970434
"1449907"	273.483067	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+K"	39.970434
"247626"	1056.025226	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+ACN+H"	42.033826
"1222160"	549.029526	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+H"	42.033826
"1207867"	275.018401	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+2H"	43.041102
"201463"	1058.96256	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Na-H"	44.97116
"639933"	1565.95826	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Na-H"	44.97116
"1141981"	551.96686	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Na-H"	44.97116
"180896"	529.984918	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2Na"	45.978436
"621551"	783.482768	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2Na"	45.978436
"1128336"	276.487068	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2Na"	45.978436
"1410042"	184.660470666667	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+2Na"	46.985712
"1442886"	554.008446	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+HCOOH"	47.012746
"231487"	535.01794	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+3H2O+2H"	56.04448
"1515174"	568.06049	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+IsoProp+H"	61.06479
"420695"	537.971888	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+Na+K"	61.952376
"778046"	791.469738	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+Na+K"	61.952376
"1673284"	284.474038	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+K"	61.952376
"259806"	1078.007168	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+ACN+Na"	64.015768
"1228141"	571.011468	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+ACN+Na"	64.015768
"1717026"	571.034993	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4+HCOOH"	64.039293
"1181286"	191.987784666667	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3Na"	68.967654
"1653366"	575.990388	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+HCOOH"	68.994688
"157389"	1090.91044	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2K-H"	76.91904
"601974"	1597.90614	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2K-H"	76.91904
"1085144"	583.91474	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K-H"	76.91904
"143302"	545.958858	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"2M+2K"	77.926316
"583956"	799.456708	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"3M+2K"	77.926316
"1070290"	292.461008	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K"	77.926316
"1102771"	585.929292	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2K+H"	78.933592
"1337696"	586.016907	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+DMSO+H"	79.021207
"1009868"	590.056076	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2ACN+H"	83.060376
"1527992"	591.049708	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+IsoProp+Na+H"	84.054008
"991165"	295.531676	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+2ACN+2H"	84.067652
"1591142"	591.964328	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K+HCOOH"	84.968628
"1417896"	621.995838	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+H+CF3COOH"	115.000138
"1153653"	316.044951	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+3ACN+2H"	125.094202
"1698830"	639.022385	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+NH4+CF3COOH"	132.026685
"1643229"	643.97778	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+Na+CF3COOH"	136.98208
"1584348"	659.95172	"C19969"	"2-Hydroxy-dATP;2-Hydroxy-2-deoxyadenosine 5-triphosphate"	"C10H16N5O13P3"	"506.9957"	"M+K+CF3COOH"	152.95602
"814712"	347.0631	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M"	0
"981687"	328.04471	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-H2O-H"	-19.01839
"67741"	230.368124	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M-3H"	-3.021828
"507303"	346.055824	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M-3H"	-3.021828
"880969"	114.680424	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-3H"	-3.021828
"8057"	346.055824	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M-2H"	-2.014552
"448710"	519.587374	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M-2H"	-2.014552
"824329"	172.524274	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-2H"	-2.014552
"92705"	693.118924	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M-H"	-1.007276
"531536"	1040.182024	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M-H"	-1.007276
"902777"	346.055824	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-H"	-1.007276
"52781"	710.145471	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M-2H+NH4"	16.019271
"492339"	1057.208571	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M-2H+NH4"	16.019271
"874516"	363.082371	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-2H+NH4"	16.019271
"34762"	715.100866	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M-2H+Na"	20.974666
"473347"	1062.163966	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M-2H+Na"	20.974666
"856500"	368.037766	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-2H+Na"	20.974666
"1623846"	368.037766	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Na-2H"	20.974666
"103656"	364.044163	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M-H+Cl"	33.962126
"546497"	537.575713	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M-H+Cl"	33.962126
"938918"	190.512613	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-H+Cl"	33.962126
"277475"	729.095602	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+Cl"	34.969402
"668803"	1076.158702	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+Cl"	34.969402
"1284489"	382.032502	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Cl"	34.969402
"24858"	731.074806	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M-2H+K"	36.948606
"462235"	1078.137906	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M-2H+K"	36.948606
"840035"	384.011706	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-2H+K"	36.948606
"1566805"	384.011706	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+K-2H"	36.948606
"950317"	392.061294	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-H+HCOOH"	44.998194
"367437"	739.124401	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+HCOOH-H"	44.998201
"352778"	753.140051	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+Hac-H"	59.013851
"1497235"	406.076951	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Hac-H"	59.013851
"965510"	414.043251	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-H+NaCOOH"	66.980151
"111867"	382.032502	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+2Cl"	69.938804
"553617"	555.564052	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+2Cl"	69.938804
"1031533"	208.500952	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2Cl"	69.938804
"1248928"	425.981985	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Br"	78.918885
"1318304"	428.037972	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Cl+HCOOH"	80.974872
"1332151"	450.019929	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Cl+NaCOOH"	102.956829
"923210"	460.048686	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M-H+CF3COOH"	112.985586
"1301741"	496.025364	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Cl+CF3COOH"	148.962264
"1380271"	312.050424	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H-2H2O"	-35.012676
"1392301"	330.0604	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H-H2O"	-17.0027
"286520"	695.133476	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+H"	1.007276
"683314"	1042.196576	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+H"	1.007276
"1360756"	348.070376	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H"	1.007276
"135833"	348.070376	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+2H"	2.014552
"571018"	521.601926	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+2H"	2.014552
"1038722"	174.538826	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2H"	2.014552
"207718"	232.382676	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+3H"	3.021828
"646185"	348.070376	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+3H"	3.021828
"1166499"	116.694976	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+3H"	3.021828
"429776"	712.160023	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+NH4"	18.033823
"794054"	1059.223123	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+NH4"	18.033823
"1689291"	365.096923	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+NH4"	18.033823
"337567"	356.5836495	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+H+NH4"	19.041099
"724887"	530.1151995	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+H+NH4"	19.041099
"1484903"	183.0520995	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H+NH4"	19.041099
"405407"	717.115418	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+Na"	22.989218
"761297"	1064.178518	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+Na"	22.989218
"1609395"	370.052318	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Na"	22.989218
"321618"	359.061347	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+H+Na"	23.996494
"719506"	532.592897	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+H+Na"	23.996494
"1472234"	185.529797	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H+Na"	23.996494
"1061104"	124.02229	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2H+Na"	25.00377
"1269343"	380.096586	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+CH3OH+H"	33.033486
"387918"	733.089358	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+K"	38.963158
"744540"	1080.152458	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+K"	38.963158
"1544406"	386.026258	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+K"	38.963158
"300125"	367.048317	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+H+K"	39.970434
"697290"	540.579867	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+H+K"	39.970434
"1448924"	193.516767	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H+K"	39.970434
"248829"	736.160026	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+ACN+H"	42.033826
"1224093"	389.096926	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+ACN+H"	42.033826
"1207609"	195.052101	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+ACN+2H"	43.041102
"202673"	739.09736	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+2Na-H"	44.97116
"640771"	1086.16046	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+2Na-H"	44.97116
"1139905"	392.03426	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2Na-H"	44.97116
"181006"	370.052318	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+2Na"	45.978436
"621661"	543.583868	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+2Na"	45.978436
"1128446"	196.520768	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2Na"	45.978436
"1410882"	131.349604	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H+2Na"	46.985712
"1442995"	394.075846	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H+HCOOH"	47.012746
"232691"	375.08534	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+3H2O+2H"	56.04448
"1518566"	408.12789	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+H"	61.06479
"419349"	378.039288	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+Na+K"	61.952376
"783261"	551.570838	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+Na+K"	61.952376
"1674488"	204.507738	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Na+K"	61.952376
"262102"	758.141968	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+ACN+Na"	64.015768
"1233715"	411.078868	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+ACN+Na"	64.015768
"1720416"	411.102393	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+NH4+HCOOH"	64.039293
"1185772"	138.676918	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+3Na"	68.967654
"1652385"	416.057788	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Na+HCOOH"	68.994688
"158877"	771.04524	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+2K-H"	76.91904
"602084"	1118.10834	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+2K-H"	76.91904
"1085499"	423.98214	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2K-H"	76.91904
"145599"	386.026258	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"2M+2K"	77.926316
"584431"	559.557808	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"3M+2K"	77.926316
"1072952"	212.494708	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2K"	77.926316
"1108348"	425.996692	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2K+H"	78.933592
"1338169"	426.084307	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+DMSO+H"	79.021207
"1011070"	430.123476	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2ACN+H"	83.060376
"1527738"	431.117108	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+IsoProp+Na+H"	84.054008
"992731"	215.565376	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+2ACN+2H"	84.067652
"1591251"	432.031728	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+K+HCOOH"	84.968628
"1418005"	462.063238	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+H+CF3COOH"	115.000138
"1149389"	236.078651	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+3ACN+2H"	125.094202
"1698940"	479.089785	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+NH4+CF3COOH"	132.026685
"1637871"	484.04518	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+Na+CF3COOH"	136.98208
"1584458"	500.01912	"C19970"	"2-Hydroxy-dAMP"	"C10H14N5O7P"	"347.0631"	"M+K+CF3COOH"	152.95602
"814822"	632.1132	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M"	0
"981797"	613.09481	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-H2O-H"	-19.01839
"71132"	420.401524	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M-3H"	-3.021828
"511787"	631.105924	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M-3H"	-3.021828
"880393"	209.697124	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-3H"	-3.021828
"3791"	631.105924	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M-2H"	-2.014552
"441162"	947.162524	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M-2H"	-2.014552
"820061"	315.049324	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-2H"	-2.014552
"84428"	1263.219124	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M-H"	-1.007276
"530551"	1895.332324	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M-H"	-1.007276
"910540"	631.105924	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-H"	-1.007276
"53984"	1280.245671	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M-2H+NH4"	16.019271
"492449"	1912.358871	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M-2H+NH4"	16.019271
"874626"	648.132471	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-2H+NH4"	16.019271
"34872"	1285.201066	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M-2H+Na"	20.974666
"473701"	1917.314266	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M-2H+Na"	20.974666
"856610"	653.087866	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-2H+Na"	20.974666
"1623956"	653.087866	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Na-2H"	20.974666
"103766"	649.094263	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M-H+Cl"	33.962126
"545514"	965.150863	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M-H+Cl"	33.962126
"936841"	333.037663	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-H+Cl"	33.962126
"277585"	1299.195802	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+Cl"	34.969402
"672192"	1931.309002	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+Cl"	34.969402
"1282412"	667.082602	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Cl"	34.969402
"24968"	1301.175006	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M-2H+K"	36.948606
"462345"	1933.288206	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M-2H+K"	36.948606
"842333"	669.061806	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-2H+K"	36.948606
"1564728"	669.061806	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+K-2H"	36.948606
"947512"	677.111394	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-H+HCOOH"	44.998194
"366819"	1309.224601	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+HCOOH-H"	44.998201
"351795"	1323.240251	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+Hac-H"	59.013851
"1501357"	691.127051	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Hac-H"	59.013851
"965621"	699.093351	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-H+NaCOOH"	66.980151
"112341"	667.082602	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+2Cl"	69.938804
"550565"	983.139202	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+2Cl"	69.938804
"1026537"	351.026002	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2Cl"	69.938804
"1247939"	711.032085	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Br"	78.918885
"1307105"	713.088072	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Cl+HCOOH"	80.974872
"1326794"	735.070029	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Cl+NaCOOH"	102.956829
"922226"	745.098786	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M-H+CF3COOH"	112.985586
"1299664"	781.075464	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Cl+CF3COOH"	148.962264
"1379287"	597.100524	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H-2H2O"	-35.012676
"1396782"	615.1105	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H-H2O"	-17.0027
"292096"	1265.233676	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+H"	1.007276
"683424"	1897.346876	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+H"	1.007276
"1361961"	633.120476	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H"	1.007276
"137036"	633.120476	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+2H"	2.014552
"571128"	949.177076	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+2H"	2.014552
"1038587"	317.063876	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2H"	2.014552
"208921"	422.416076	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+3H"	3.021828
"647388"	633.120476	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+3H"	3.021828
"1165515"	211.711676	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+3H"	3.021828
"433165"	1282.260223	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+NH4"	18.033823
"794165"	1914.373423	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+NH4"	18.033823
"1688308"	650.147023	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+NH4"	18.033823
"338771"	641.6337495	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+H+NH4"	19.041099
"729007"	957.6903495	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+H+NH4"	19.041099
"1487201"	325.5771495	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H+NH4"	19.041099
"407906"	1287.215618	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+Na"	22.989218
"763594"	1919.328818	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+Na"	22.989218
"1610598"	655.102418	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Na"	22.989218
"321727"	644.111447	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+H+Na"	23.996494
"718523"	960.168047	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+H+Na"	23.996494
"1472343"	328.054847	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H+Na"	23.996494
"1062307"	219.03899	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2H+Na"	25.00377
"1271641"	665.146686	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+CH3OH+H"	33.033486
"386934"	1303.189558	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+K"	38.963158
"742827"	1935.302758	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+K"	38.963158
"1541598"	671.076358	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+K"	38.963158
"300600"	652.098417	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+H+K"	39.970434
"698492"	968.155017	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+H+K"	39.970434
"1447935"	336.041817	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H+K"	39.970434
"243105"	1306.260226	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+ACN+H"	42.033826
"1218002"	674.147026	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+ACN+H"	42.033826
"1200791"	337.577151	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+ACN+2H"	43.041102
"202779"	1309.19756	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+2Na-H"	44.97116
"641974"	1941.31076	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+2Na-H"	44.97116
"1143294"	677.08436	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2Na-H"	44.97116
"181116"	655.102418	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+2Na"	45.978436
"620676"	971.159018	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+2Na"	45.978436
"1125275"	339.045818	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2Na"	45.978436
"1412449"	226.366304	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H+2Na"	46.985712
"1443108"	679.125946	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H+HCOOH"	47.012746
"232801"	660.13544	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+3H2O+2H"	56.04448
"1520863"	693.17799	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+IsoProp+H"	61.06479
"420551"	663.089388	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+Na+K"	61.952376
"782278"	979.145988	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+Na+K"	61.952376
"1674598"	347.032788	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Na+K"	61.952376
"262212"	1328.242168	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+ACN+Na"	64.015768
"1236012"	696.128968	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+ACN+Na"	64.015768
"1720526"	696.152493	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+NH4+HCOOH"	64.039293
"1186975"	233.693618	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+3Na"	68.967654
"1654681"	701.107888	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Na+HCOOH"	68.994688
"158138"	1341.14544	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+2K-H"	76.91904
"604382"	1973.25864	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+2K-H"	76.91904
"1087798"	709.03224	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2K-H"	76.91904
"147896"	671.076358	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"2M+2K"	77.926316
"583569"	987.132958	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"3M+2K"	77.926316
"1074156"	355.019758	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2K"	77.926316
"1108458"	711.046792	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2K+H"	78.933592
"1338642"	711.134407	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+DMSO+H"	79.021207
"1008998"	715.173576	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2ACN+H"	83.060376
"1528214"	716.167208	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+IsoProp+Na+H"	84.054008
"991502"	358.090426	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+2ACN+2H"	84.067652
"1591362"	717.081828	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+K+HCOOH"	84.968628
"1418113"	747.113338	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+H+CF3COOH"	115.000138
"1148770"	378.603701	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+3ACN+2H"	125.094202
"1700142"	764.139885	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+NH4+CF3COOH"	132.026685
"1637981"	769.09528	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+Na+CF3COOH"	136.98208
"1584568"	785.06922	"C19971"	"UDP-24-bis(acetamido)-246-trideoxy-beta-L-altropyranose;UDP-24-diacetamido-246-trideoxy-beta-L-altrose"	"C19H30N4O16P2"	"632.1132"	"M+K+CF3COOH"	152.95602
"814932"	246.1216	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M"	0
"981907"	227.10321	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-H2O-H"	-19.01839
"67962"	163.073790666667	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M-3H"	-3.021828
"511897"	245.114324	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M-3H"	-3.021828
"882045"	81.0332573333333	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-3H"	-3.021828
"7181"	245.114324	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M-2H"	-2.014552
"442366"	368.175124	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M-2H"	-2.014552
"820171"	122.053524	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-2H"	-2.014552
"84538"	491.235924	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M-H"	-1.007276
"530661"	737.357524	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M-H"	-1.007276
"909436"	245.114324	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-H"	-1.007276
"52998"	508.262471	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M-2H+NH4"	16.019271
"490373"	754.384071	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M-2H+NH4"	16.019271
"873643"	262.140871	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-2H+NH4"	16.019271
"33889"	513.217866	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M-2H+Na"	20.974666
"472353"	759.339466	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M-2H+Na"	20.974666
"854534"	267.096266	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-2H+Na"	20.974666
"1624066"	267.096266	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Na-2H"	20.974666
"101690"	263.102663	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M-H+Cl"	33.962126
"545624"	386.163463	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M-H+Cl"	33.962126
"934765"	140.041863	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-H+Cl"	33.962126
"275508"	527.212602	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+Cl"	34.969402
"667929"	773.334202	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+Cl"	34.969402
"1280336"	281.091002	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Cl"	34.969402
"22891"	529.191806	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M-2H+K"	36.948606
"462819"	775.313406	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M-2H+K"	36.948606
"844631"	283.070206	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-2H+K"	36.948606
"1565933"	283.070206	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+K-2H"	36.948606
"948351"	291.119794	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-H+HCOOH"	44.998194
"367659"	537.241401	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+HCOOH-H"	44.998201
"352998"	551.257051	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+Hac-H"	59.013851
"1502560"	305.135451	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Hac-H"	59.013851
"967917"	313.101751	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-H+NaCOOH"	66.980151
"113180"	281.091002	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+2Cl"	69.938804
"552377"	404.151802	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+2Cl"	69.938804
"1025551"	158.030202	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2Cl"	69.938804
"1246956"	325.040485	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Br"	78.918885
"1316695"	327.096472	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Cl+HCOOH"	80.974872
"1329091"	349.078429	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Cl+NaCOOH"	102.956829
"925982"	359.107186	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M-H+CF3COOH"	112.985586
"1303055"	395.083864	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Cl+CF3COOH"	148.962264
"1382517"	211.108924	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H-2H2O"	-35.012676
"1397623"	229.1189	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H-H2O"	-17.0027
"294394"	493.250476	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+H"	1.007276
"689001"	739.372076	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+H"	1.007276
"1365349"	247.128876	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H"	1.007276
"138239"	247.128876	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+2H"	2.014552
"577799"	370.189676	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+2H"	2.014552
"1040036"	124.068076	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2H"	2.014552
"214499"	165.088342666667	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+3H"	3.021828
"650779"	247.128876	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+3H"	3.021828
"1165625"	83.0478093333333	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+3H"	3.021828
"432184"	510.277023	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+NH4"	18.033823
"794275"	756.398623	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+NH4"	18.033823
"1690605"	264.155423	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+NH4"	18.033823
"342164"	255.6421495	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+H+NH4"	19.041099
"729118"	378.7029495	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+H+NH4"	19.041099
"1484031"	132.5813495	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H+NH4"	19.041099
"402711"	515.232418	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+Na"	22.989218
"765892"	761.354018	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+Na"	22.989218
"1612896"	269.110818	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Na"	22.989218
"324025"	258.119847	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+H+Na"	23.996494
"713530"	381.180647	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+H+Na"	23.996494
"1474640"	135.059047	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H+Na"	23.996494
"1063511"	90.3751233333333	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2H+Na"	25.00377
"1264098"	279.155086	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+CH3OH+H"	33.033486
"387046"	531.206358	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+K"	38.963158
"742937"	777.327958	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+K"	38.963158
"1541344"	285.084758	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+K"	38.963158
"299247"	266.106817	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+H+K"	39.970434
"698598"	389.167617	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+H+K"	39.970434
"1446584"	143.046017	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H+K"	39.970434
"242121"	534.277026	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+ACN+H"	42.033826
"1215923"	288.155426	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+ACN+H"	42.033826
"1199078"	144.581351	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+ACN+2H"	43.041102
"198879"	537.21436	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+2Na-H"	44.97116
"639533"	783.33596	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+2Na-H"	44.97116
"1141217"	291.09276	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2Na-H"	44.97116
"176485"	269.110818	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+2Na"	45.978436
"619327"	392.171618	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+2Na"	45.978436
"1124292"	146.050018	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2Na"	45.978436
"1410005"	97.7024373333333	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H+2Na"	46.985712
"1437747"	293.134346	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H+HCOOH"	47.012746
"229630"	274.14384	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+3H2O+2H"	56.04448
"1516599"	307.18639	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+IsoProp+H"	61.06479
"417379"	277.097788	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+Na+K"	61.952376
"779468"	400.158588	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+Na+K"	61.952376
"1673614"	154.036988	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Na+K"	61.952376
"261227"	556.258968	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+ACN+Na"	64.015768
"1231749"	310.137368	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+ACN+Na"	64.015768
"1718451"	310.160893	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+NH4+HCOOH"	64.039293
"1183805"	105.029751333333	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+3Na"	68.967654
"1652604"	315.116288	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Na+HCOOH"	68.994688
"157762"	569.16224	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+2K-H"	76.91904
"605585"	815.28384	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+2K-H"	76.91904
"1087908"	323.04064	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2K-H"	76.91904
"143754"	285.084758	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"2M+2K"	77.926316
"582342"	408.145558	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"3M+2K"	77.926316
"1079733"	162.023958	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2K"	77.926316
"1105288"	325.055192	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2K+H"	78.933592
"1337300"	325.142807	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+DMSO+H"	79.021207
"1008740"	329.181976	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2ACN+H"	83.060376
"1527231"	330.175608	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+IsoProp+Na+H"	84.054008
"992220"	165.094626	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+2ACN+2H"	84.067652
"1590375"	331.090228	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+K+HCOOH"	84.968628
"1417130"	361.121738	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+H+CF3COOH"	115.000138
"1152887"	185.607901	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+3ACN+2H"	125.094202
"1702439"	378.148285	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+NH4+CF3COOH"	132.026685
"1636997"	383.10368	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+Na+CF3COOH"	136.98208
"1584678"	399.07762	"C19972"	"24-Bis(acetamido)-246-trideoxy-beta-L-altropyranose"	"C10H18N2O5"	"246.1216"	"M+K+CF3COOH"	152.95602
"805201"	204.1878	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M"	0
"988823"	185.16941	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"73539"	135.117924	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516018"	203.180524	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"884342"	67.055324	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"7291"	203.180524	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"442476"	305.274424	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"820281"	101.086624	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"81365"	407.368324	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"525303"	611.556124	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"908573"	203.180524	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"53108"	424.394871	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"489390"	628.582671	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"870473"	220.207071	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"36186"	429.350266	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"472464"	633.538066	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854644"	225.162466	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1622354"	225.162466	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"103987"	221.168863	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"544641"	323.262763	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"938155"	119.074963	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278536"	443.345002	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670228"	647.532802	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1278624"	239.157202	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"24095"	445.324206	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"463293"	649.512006	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"843648"	241.136406	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1566044"	241.136406	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"952834"	249.185994	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371049"	453.373801	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353838"	467.389451	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1500485"	263.201651	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"968756"	271.167951	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"113290"	239.157202	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"553580"	341.251102	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1026393"	137.063302	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1247066"	283.106685	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1310609"	285.162672	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331389"	307.144629	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921353"	317.173386	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1303531"	353.150064	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1380602"	169.175124	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1397128"	187.1851	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"297421"	409.382876	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"688749"	613.570676	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1362179"	205.195076	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137255"	205.195076	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"575724"	307.288976	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1044521"	103.101176	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"213517"	137.132476	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"647609"	205.195076	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1166829"	69.069876	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433388"	426.409423	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"794385"	630.597223	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1687435"	222.221623	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"341181"	213.7083495	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729228"	315.8022495	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1487422"	111.6144495	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"405009"	431.364818	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"768189"	635.552618	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1615193"	227.177018	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"327415"	216.186047	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"714370"	318.279947	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1473657"	114.092147	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1062529"	76.39719	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1264209"	237.221286	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383877"	447.338758	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739767"	651.526558	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540724"	243.150958	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299718"	224.173017	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692632"	326.266917	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1446568"	122.079117	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"238222"	450.409426	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1213847"	246.221626	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1198459"	123.614451	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"197896"	453.34676	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"634539"	657.53456	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1135861"	249.15896	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173315"	227.177018	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617251"	329.270918	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122217"	125.083118	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404648"	83.724504	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435670"	251.200546	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"231928"	232.21004	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1522177"	265.25259	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"423687"	235.163988	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"782858"	337.257888	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1679920"	133.070088	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"260244"	472.391368	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1237326"	268.203568	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1718561"	268.227093	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1182822"	91.051818	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1651620"	273.182488	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161762"	485.29464	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"603508"	689.48244	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1089112"	281.10684	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"148117"	243.150958	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"584764"	345.244858	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1073283"	141.057058	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1106492"	283.121392	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337410"	283.209007	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1007397"	287.248176	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1526251"	288.241808	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"993794"	144.127726	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593767"	289.156428	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1418333"	319.187938	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1155185"	164.641001	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1705829"	336.214485	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1637109"	341.16988	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1584788"	357.14382	"C19973"	"()-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"814788"	222.1984	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M"	0
"989618"	203.18001	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"76932"	147.124990666667	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"515399"	221.191124	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"887733"	73.0588573333333	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"8496"	221.191124	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"449148"	332.290324	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"821484"	110.091924	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"82568"	443.389524	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"528692"	665.587924	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"907228"	221.191124	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"58684"	460.416071	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"498248"	682.614471	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"872770"	238.217671	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"36296"	465.371466	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"475857"	687.569866	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"855847"	243.173066	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1627568"	243.173066	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"105191"	239.179463	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"544752"	350.278663	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"938265"	128.080263	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"276824"	479.366202	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"669245"	701.564602	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1280559"	257.167802	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"23477"	481.345406	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"466318"	703.543806	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"843758"	259.147006	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1566158"	259.147006	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"954040"	267.196594	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"371163"	489.395001	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"355044"	503.410651	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1501690"	281.212251	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"967046"	289.178551	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"117048"	257.167802	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"556243"	368.267002	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1027598"	146.068602	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1249362"	301.117285	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1309626"	303.173272	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1332594"	325.155229	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"926995"	335.183986	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1303846"	371.160664	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1381688"	187.185724	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1397115"	205.1957	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"298261"	445.404076	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"688129"	667.602476	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1366910"	223.205676	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"141175"	223.205676	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"579113"	334.304876	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1050101"	112.106476	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"218001"	149.139542666667	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"654281"	223.205676	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1169126"	75.0734093333333	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"433498"	462.430623	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"796684"	684.629023	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1688639"	240.232223	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"343478"	231.7189495	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"734805"	342.8181495	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1483159"	120.6197495	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"405119"	467.386018	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"766113"	689.584418	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1608744"	245.187618	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"325341"	234.196647	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"712294"	345.295847	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1466116"	123.097447	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1061548"	82.4007233333333	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1264320"	255.231886	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"389455"	483.359958	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"742794"	705.558358	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1542657"	261.161558	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"300196"	242.183617	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"694446"	353.282817	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1448265"	131.084417	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"242341"	486.430626	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1218330"	264.232226	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1206588"	132.619751	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"193993"	489.36796	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"637933"	711.56636	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1137065"	267.16956	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"179261"	245.187618	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"618091"	356.286818	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1126702"	134.088418	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1412413"	89.7280373333333	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1437968"	269.211146	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"235081"	250.22064	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1524114"	283.26319	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"424086"	253.174588	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"785160"	364.273788	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1680035"	142.075388	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"265460"	508.412568	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1240358"	286.214168	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1727418"	286.237693	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1190585"	97.0553513333333	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1660479"	291.193088	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"164060"	521.31584	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"610180"	743.51424	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1091412"	299.11744	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"148228"	261.161558	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"589978"	372.260758	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1076676"	150.062358	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1108792"	301.131992	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1341897"	301.219607	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1012612"	305.258776	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1535111"	306.252408	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"996092"	153.133026	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1597158"	307.167028	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1420630"	337.198538	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1152014"	173.646301	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1709219"	354.225085	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1640499"	359.18048	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1584898"	375.15442	"C19974"	"()-Caryolan-1-ol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"805421"	901.152	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M"	0
"988070"	882.13361	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H2O-H"	-19.01839
"71572"	599.760724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-3H"	-3.021828
"515508"	900.144724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-3H"	-3.021828
"884562"	299.376724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-3H"	-3.021828
"7511"	900.144724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H"	-2.014552
"441603"	1350.720724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H"	-2.014552
"821594"	449.568724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H"	-2.014552
"81218"	1801.296724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H"	-1.007276
"522240"	2702.448724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H"	-1.007276
"905512"	900.144724	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H"	-1.007276
"55514"	1818.323271	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+NH4"	16.019271
"499451"	2719.475271	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+NH4"	16.019271
"875067"	917.171271	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+NH4"	16.019271
"35313"	1823.278666	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+Na"	20.974666
"475967"	2724.430666	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+Na"	20.974666
"853769"	922.126666	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+Na"	20.974666
"1627678"	922.126666	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na-2H"	20.974666
"105300"	918.133063	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H+Cl"	33.962126
"546684"	1368.709063	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H+Cl"	33.962126
"937281"	467.557063	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+Cl"	33.962126
"278028"	1837.273402	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Cl"	34.969402
"670448"	2738.425402	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Cl"	34.969402
"1286135"	936.121402	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl"	34.969402
"25410"	1839.252606	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+K"	36.948606
"467886"	2740.404606	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+K"	36.948606
"844961"	938.100606	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+K"	36.948606
"1570640"	938.100606	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K-2H"	36.948606
"954879"	946.150194	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+HCOOH"	44.998194
"372731"	1847.302201	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+HCOOH-H"	44.998201
"357705"	1861.317851	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Hac-H"	59.013851
"1503622"	960.165851	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Hac-H"	59.013851
"968249"	968.132151	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+NaCOOH"	66.980151
"114971"	936.121402	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Cl"	69.938804
"555259"	1386.697402	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Cl"	69.938804
"1027340"	485.545402	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Cl"	69.938804
"1245825"	980.070885	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Br"	78.918885
"1306815"	982.126872	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+HCOOH"	80.974872
"1322126"	1004.108829	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+NaCOOH"	102.956829
"926927"	1014.137586	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+CF3COOH"	112.985586
"1296094"	1050.114264	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+CF3COOH"	148.962264
"1382041"	866.139324	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-2H2O"	-35.012676
"1397717"	884.1493	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-H2O"	-17.0027
"297647"	1803.311276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H"	1.007276
"691203"	2704.463276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H"	1.007276
"1366889"	902.159276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H"	1.007276
"140757"	902.159276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2H"	2.014552
"578130"	1352.735276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2H"	2.014552
"1051303"	451.583276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H"	2.014552
"215924"	601.775276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H"	3.021828
"654391"	902.159276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+3H"	3.021828
"1173610"	301.391276	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3H"	3.021828
"438348"	1820.337823	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+NH4"	18.033823
"796794"	2721.489823	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+NH4"	18.033823
"1693123"	919.185823	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4"	18.033823
"344684"	910.6725495	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+NH4"	19.041099
"736009"	1361.2485495	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+NH4"	19.041099
"1488736"	460.0965495	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+NH4"	19.041099
"406322"	1825.293218	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na"	22.989218
"767316"	2726.445218	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na"	22.989218
"1615415"	924.141218	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na"	22.989218
"325451"	913.150247	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+Na"	23.996494
"712404"	1363.726247	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+Na"	23.996494
"1467318"	462.574247	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+Na"	23.996494
"1060564"	308.71859	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H+Na"	25.00377
"1266617"	934.185486	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+CH3OH+H"	33.033486
"390659"	1841.267158	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+K"	38.963158
"746183"	2742.419158	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+K"	38.963158
"1542767"	940.115158	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K"	38.963158
"302133"	921.137217	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+K"	39.970434
"695648"	1371.713217	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+K"	39.970434
"1449468"	470.561217	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+K"	39.970434
"240262"	1844.337826	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+H"	42.033826
"1215157"	943.185826	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+H"	42.033826
"1199042"	472.096551	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+2H"	43.041102
"194467"	1847.27516	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na-H"	44.97116
"638043"	2748.42716	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na-H"	44.97116
"1137538"	946.12316	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na-H"	44.97116
"180460"	924.141218	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na"	45.978436
"620750"	1374.717218	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na"	45.978436
"1123530"	473.565218	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na"	45.978436
"1404869"	316.045904	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+2Na"	46.985712
"1438078"	948.164746	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+HCOOH"	47.012746
"235068"	929.17424	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H2O+2H"	56.04448
"1523494"	962.21679	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+H"	61.06479
"423176"	932.128188	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na+K"	61.952376
"784902"	1382.704188	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na+K"	61.952376
"1681093"	481.552188	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+K"	61.952376
"266667"	1866.319768	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+Na"	64.015768
"1240104"	965.167768	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+Na"	64.015768
"1727527"	965.191293	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+HCOOH"	64.039293
"1192518"	323.373218	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3Na"	68.967654
"1661682"	970.146688	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+HCOOH"	68.994688
"161254"	1879.22304	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K-H"	76.91904
"608103"	2780.37504	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K-H"	76.91904
"1094802"	978.07104	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K-H"	76.91904
"145058"	940.115158	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K"	77.926316
"585713"	1390.691158	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K"	77.926316
"1073506"	489.539158	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K"	77.926316
"1108901"	980.085592	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K+H"	78.933592
"1346379"	980.173207	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+DMSO+H"	79.021207
"1012720"	984.212376	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+H"	83.060376
"1527564"	985.206008	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+Na+H"	84.054008
"994015"	492.609826	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+2H"	84.067652
"1593988"	986.120628	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+HCOOH"	84.968628
"1420740"	1016.152138	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+CF3COOH"	115.000138
"1152124"	513.123101	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3ACN+2H"	125.094202
"1706049"	1033.178685	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+CF3COOH"	132.026685
"1640609"	1038.13408	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+CF3COOH"	136.98208
"1585008"	1054.10802	"C19975"	"2-Oxepin-2(3H)-ylideneacetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+CF3COOH"	152.95602
"805531"	247.1056	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M"	0
"987816"	228.08721	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-H2O-H"	-19.01839
"71682"	163.729790666667	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M-3H"	-3.021828
"512338"	246.098324	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M-3H"	-3.021828
"884672"	81.3612573333333	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-3H"	-3.021828
"5435"	246.098324	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M-2H"	-2.014552
"440984"	369.651124	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M-2H"	-2.014552
"819882"	122.545524	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-2H"	-2.014552
"80355"	493.203924	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M-H"	-1.007276
"520164"	740.309524	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M-H"	-1.007276
"902342"	246.098324	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-H"	-1.007276
"50157"	510.230471	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M-2H+NH4"	16.019271
"487893"	757.336071	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M-2H+NH4"	16.019271
"866425"	263.124871	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-2H+NH4"	16.019271
"36514"	515.185866	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M-2H+Na"	20.974666
"481545"	762.291466	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M-2H+Na"	20.974666
"850599"	268.080266	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-2H+Na"	20.974666
"1627788"	268.080266	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Na-2H"	20.974666
"102129"	264.086663	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M-H+Cl"	33.962126
"547523"	387.639463	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M-H+Cl"	33.962126
"933017"	140.533863	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-H+Cl"	33.962126
"278137"	529.180602	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+Cl"	34.969402
"671650"	776.286202	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+Cl"	34.969402
"1286245"	282.075002	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Cl"	34.969402
"22604"	531.159806	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M-2H+K"	36.948606
"467267"	778.265406	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M-2H+K"	36.948606
"846164"	284.054206	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-2H+K"	36.948606
"1570021"	284.054206	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+K-2H"	36.948606
"955351"	292.103794	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-H+HCOOH"	44.998194
"373565"	539.209401	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+HCOOH-H"	44.998201
"356356"	553.225051	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+Hac-H"	59.013851
"1503001"	306.119451	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Hac-H"	59.013851
"968356"	314.085751	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-H+NaCOOH"	66.980151
"117997"	282.075002	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+2Cl"	69.938804
"557921"	405.627802	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+2Cl"	69.938804
"1021856"	158.522202	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2Cl"	69.938804
"1242651"	326.024485	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Br"	78.918885
"1305585"	328.080472	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Cl+HCOOH"	80.974872
"1324059"	350.062429	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Cl+NaCOOH"	102.956829
"912563"	360.091186	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M-H+CF3COOH"	112.985586
"1296204"	396.067864	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Cl+CF3COOH"	148.962264
"1375457"	212.092924	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H-2H2O"	-35.012676
"1397944"	230.1029	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H-H2O"	-17.0027
"298117"	495.218476	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+H"	1.007276
"691340"	742.324076	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+H"	1.007276
"1366400"	248.112876	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H"	1.007276
"140626"	248.112876	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+2H"	2.014552
"579333"	371.665676	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+2H"	2.014552
"1052143"	124.560076	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2H"	2.014552
"217128"	165.744342666667	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+3H"	3.021828
"654501"	248.112876	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+3H"	3.021828
"1172627"	83.3758093333333	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+3H"	3.021828
"437363"	512.245023	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+NH4"	18.033823
"799092"	759.350623	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+NH4"	18.033823
"1692505"	265.139423	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+NH4"	18.033823
"342606"	256.6261495	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+H+NH4"	19.041099
"735755"	380.1789495	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+H+NH4"	19.041099
"1487753"	133.0733495	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H+NH4"	19.041099
"406068"	517.200418	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+Na"	22.989218
"765239"	764.306018	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+Na"	22.989218
"1615525"	270.094818	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Na"	22.989218
"326654"	259.103847	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+H+Na"	23.996494
"712878"	382.656647	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+H+Na"	23.996494
"1466699"	135.551047	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H+Na"	23.996494
"1063953"	90.7031233333333	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2H+Na"	25.00377
"1270007"	280.139086	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+CH3OH+H"	33.033486
"390769"	533.174358	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+K"	38.963158
"744106"	780.279958	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+K"	38.963158
"1542877"	286.068758	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+K"	38.963158
"302242"	267.090817	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+H+K"	39.970434
"694665"	390.643617	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+H+K"	39.970434
"1447756"	143.538017	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H+K"	39.970434
"240372"	536.245026	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+ACN+H"	42.033826
"1213080"	289.139426	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+ACN+H"	42.033826
"1199152"	145.073351	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+ACN+2H"	43.041102
"190567"	539.18236	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+2Na-H"	44.97116
"636326"	786.28796	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+2Na-H"	44.97116
"1139471"	292.07676	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2Na-H"	44.97116
"180206"	270.094818	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+2Na"	45.978436
"621954"	393.647618	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+2Na"	45.978436
"1125827"	146.542018	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2Na"	45.978436
"1404979"	98.0304373333333	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H+2Na"	46.985712
"1437094"	294.118346	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H+HCOOH"	47.012746
"232260"	275.12784	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+3H2O+2H"	56.04448
"1521416"	308.17039	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+IsoProp+H"	61.06479
"420006"	278.081788	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+Na+K"	61.952376
"785133"	401.634588	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+Na+K"	61.952376
"1679889"	154.528988	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Na+K"	61.952376
"265918"	558.226968	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+ACN+Na"	64.015768
"1240820"	311.121368	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+ACN+Na"	64.015768
"1724357"	311.144893	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+NH4+HCOOH"	64.039293
"1188618"	105.357751333333	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+3Na"	68.967654
"1660699"	316.100288	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Na+HCOOH"	68.994688
"159541"	571.13024	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+2K-H"	76.91904
"609307"	818.23584	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+2K-H"	76.91904
"1094912"	324.02464	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2K-H"	76.91904
"142980"	286.068758	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"2M+2K"	77.926316
"584730"	409.621558	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"3M+2K"	77.926316
"1071429"	162.515958	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2K"	77.926316
"1107918"	326.039192	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2K+H"	78.933592
"1344301"	326.126807	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+DMSO+H"	79.021207
"1009550"	330.165976	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2ACN+H"	83.060376
"1528767"	331.159608	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+IsoProp+Na+H"	84.054008
"996312"	165.586626	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+2ACN+2H"	84.067652
"1594098"	332.074228	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+K+HCOOH"	84.968628
"1419757"	362.105738	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+H+CF3COOH"	115.000138
"1152234"	186.099901	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+3ACN+2H"	125.094202
"1706159"	379.132285	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+NH4+CF3COOH"	132.026685
"1640719"	384.08768	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+Na+CF3COOH"	136.98208
"1585118"	400.06162	"C19976"	"Valinopine"	"C10H17NO6"	"247.1056"	"M+K+CF3COOH"	152.95602
"805641"	270.0852	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M"	0
"988290"	251.06681	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-H2O-H"	-19.01839
"70699"	179.049524	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M-3H"	-3.021828
"512448"	269.077924	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M-3H"	-3.021828
"884782"	89.021124	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-3H"	-3.021828
"5545"	269.077924	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M-2H"	-2.014552
"441823"	404.120524	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M-2H"	-2.014552
"819627"	134.035324	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-2H"	-2.014552
"78887"	539.163124	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M-H"	-1.007276
"526836"	809.248324	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M-H"	-1.007276
"895887"	269.077924	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-H"	-1.007276
"50266"	556.189671	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M-2H+NH4"	16.019271
"487105"	826.274871	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M-2H+NH4"	16.019271
"864270"	286.104471	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-2H+NH4"	16.019271
"35529"	561.145066	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M-2H+Na"	20.974666
"473025"	831.230266	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M-2H+Na"	20.974666
"851800"	291.059866	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-2H+Na"	20.974666
"1621336"	291.059866	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Na-2H"	20.974666
"97865"	287.066263	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M-H+Cl"	33.962126
"539613"	422.108863	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M-H+Cl"	33.962126
"930940"	152.023663	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-H+Cl"	33.962126
"269496"	575.139802	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+Cl"	34.969402
"666291"	845.225002	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+Cl"	34.969402
"1277606"	305.054602	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Cl"	34.969402
"21255"	577.119006	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M-2H+K"	36.948606
"465555"	847.204206	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M-2H+K"	36.948606
"845181"	307.033806	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-2H+K"	36.948606
"1571064"	307.033806	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+K-2H"	36.948606
"955461"	315.083394	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-H+HCOOH"	44.998194
"372583"	585.168601	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+HCOOH-H"	44.998201
"355373"	599.184251	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+Hac-H"	59.013851
"1504205"	329.099051	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Hac-H"	59.013851
"968466"	337.065351	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-H+NaCOOH"	66.980151
"119203"	305.054602	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+2Cl"	69.938804
"559128"	440.097202	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+2Cl"	69.938804
"1022818"	170.012002	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2Cl"	69.938804
"1242399"	349.004085	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Br"	78.918885
"1305578"	351.060072	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Cl+HCOOH"	80.974872
"1321981"	373.042029	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Cl+NaCOOH"	102.956829
"914133"	383.070786	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M-H+CF3COOH"	112.985586
"1297407"	419.047464	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Cl+CF3COOH"	148.962264
"1375567"	235.072524	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H-2H2O"	-35.012676
"1397322"	253.0825	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H-H2O"	-17.0027
"298226"	541.177676	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+H"	1.007276
"691173"	811.262876	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+H"	1.007276
"1361524"	271.092476	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H"	1.007276
"141099"	271.092476	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+2H"	2.014552
"580420"	406.135076	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+2H"	2.014552
"1051769"	136.049876	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2H"	2.014552
"216144"	181.064076	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+3H"	3.021828
"656798"	271.092476	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+3H"	3.021828
"1176017"	91.035676	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+3H"	3.021828
"439054"	558.204223	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+NH4"	18.033823
"799565"	828.289423	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+NH4"	18.033823
"1695046"	288.119023	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+NH4"	18.033823
"343446"	279.6057495	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+H+NH4"	19.041099
"736597"	414.6483495	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+H+NH4"	19.041099
"1487864"	144.5631495	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H+NH4"	19.041099
"406909"	563.159618	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+Na"	22.989218
"765352"	833.244818	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+Na"	22.989218
"1609077"	293.074418	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Na"	22.989218
"320206"	282.083447	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+H+Na"	23.996494
"711534"	417.126047	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+H+Na"	23.996494
"1464987"	147.040847	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H+Na"	23.996494
"1055680"	98.36299	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2H+Na"	25.00377
"1262464"	303.118686	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+CH3OH+H"	33.033486
"378851"	579.133558	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+K"	38.963158
"743125"	849.218758	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+K"	38.963158
"1546269"	309.048358	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+K"	38.963158
"300893"	290.070417	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+H+K"	39.970434
"693681"	425.113017	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+H+K"	39.970434
"1447503"	155.027817	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H+K"	39.970434
"238295"	582.204226	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+ACN+H"	42.033826
"1213191"	312.119026	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+ACN+H"	42.033826
"1197440"	156.563151	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+ACN+2H"	43.041102
"193593"	585.14156	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+2Na-H"	44.97116
"635706"	855.22676	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+2Na-H"	44.97116
"1138485"	315.05636	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2Na-H"	44.97116
"177035"	293.074418	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+2Na"	45.978436
"617689"	428.117018	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+2Na"	45.978436
"1123751"	158.031818	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2Na"	45.978436
"1408371"	105.690304	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H+2Na"	46.985712
"1441579"	317.097946	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H+HCOOH"	47.012746
"233462"	298.10744	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+3H2O+2H"	56.04448
"1521523"	331.14999	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+IsoProp+H"	61.06479
"422917"	301.061388	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+Na+K"	61.952376
"784640"	436.103988	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+Na+K"	61.952376
"1679633"	166.018788	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Na+K"	61.952376
"263962"	604.186168	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+ACN+Na"	64.015768
"1238858"	334.100968	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+ACN+Na"	64.015768
"1727627"	334.124493	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+NH4+HCOOH"	64.039293
"1189821"	113.017618	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+3Na"	68.967654
"1658624"	339.079888	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Na+HCOOH"	68.994688
"160745"	617.08944	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+2K-H"	76.91904
"607231"	887.17464	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+2K-H"	76.91904
"1095022"	347.00424	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2K-H"	76.91904
"149652"	309.048358	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"2M+2K"	77.926316
"587026"	444.090958	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"3M+2K"	77.926316
"1074819"	174.005758	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2K"	77.926316
"1104748"	349.018792	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2K+H"	78.933592
"1342225"	349.106407	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+DMSO+H"	79.021207
"1011847"	353.145576	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2ACN+H"	83.060376
"1528879"	354.139208	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+IsoProp+Na+H"	84.054008
"996424"	177.076426	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+2ACN+2H"	84.067652
"1597488"	355.053828	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+K+HCOOH"	84.968628
"1415492"	385.085338	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+H+CF3COOH"	115.000138
"1152343"	197.589701	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+3ACN+2H"	125.094202
"1709549"	402.111885	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+NH4+CF3COOH"	132.026685
"1638642"	407.06728	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+Na+CF3COOH"	136.98208
"1585228"	423.04122	"C19977"	"Clitidine;Chrytidine"	"C11H14N2O6"	"270.0852"	"M+K+CF3COOH"	152.95602
"805751"	726.0857	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M"	0
"988766"	707.06731	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-H2O-H"	-19.01839
"72996"	483.049857333333	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M-3H"	-3.021828
"512558"	725.078424	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M-3H"	-3.021828
"883799"	241.021290666667	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-3H"	-3.021828
"7842"	725.078424	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M-2H"	-2.014552
"443028"	1088.121274	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M-2H"	-2.014552
"823019"	362.035574	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-2H"	-2.014552
"81915"	1451.164124	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M-H"	-1.007276
"525852"	2177.249824	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M-H"	-1.007276
"896078"	725.078424	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-H"	-1.007276
"50376"	1468.190671	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M-2H+NH4"	16.019271
"488960"	2194.276371	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M-2H+NH4"	16.019271
"864694"	742.104971	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-2H+NH4"	16.019271
"33452"	1473.146066	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M-2H+Na"	20.974666
"472159"	2199.231766	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M-2H+Na"	20.974666
"848867"	747.060366	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-2H+Na"	20.974666
"1618725"	747.060366	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Na-2H"	20.974666
"101254"	743.066763	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M-H+Cl"	33.962126
"538626"	1106.109613	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M-H+Cl"	33.962126
"929227"	380.023913	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-H+Cl"	33.962126
"268508"	1487.140802	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+Cl"	34.969402
"663120"	2213.226502	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+Cl"	34.969402
"1276255"	761.055102	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Cl"	34.969402
"22457"	1489.120006	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M-2H+K"	36.948606
"462019"	2215.205706	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M-2H+K"	36.948606
"840915"	763.034306	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-2H+K"	36.948606
"1570726"	763.034306	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+K-2H"	36.948606
"957029"	771.083894	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-H+HCOOH"	44.998194
"371597"	1497.169601	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+HCOOH-H"	44.998201
"356572"	1511.185251	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+Hac-H"	59.013851
"1502126"	785.099551	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Hac-H"	59.013851
"965297"	793.065851	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-H+NaCOOH"	66.980151
"118583"	761.055102	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+2Cl"	69.938804
"560693"	1124.097952	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+2Cl"	69.938804
"1022805"	398.012252	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2Cl"	69.938804
"1242142"	805.004585	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Br"	78.918885
"1305074"	807.060572	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Cl+HCOOH"	80.974872
"1321724"	829.042529	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Cl+NaCOOH"	102.956829
"912781"	839.071286	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M-H+CF3COOH"	112.985586
"1296423"	875.047964	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Cl+CF3COOH"	148.962264
"1373490"	691.073024	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H-2H2O"	-35.012676
"1393180"	709.083	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H-H2O"	-17.0027
"295051"	1453.178676	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+H"	1.007276
"687473"	2179.264376	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+H"	1.007276
"1363821"	727.092976	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H"	1.007276
"137805"	727.092976	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+2H"	2.014552
"580530"	1090.135826	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+2H"	2.014552
"1052488"	364.050126	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2H"	2.014552
"212972"	485.064409333333	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+3H"	3.021828
"656907"	727.092976	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+3H"	3.021828
"1175034"	243.035842666667	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+3H"	3.021828
"438557"	1470.205223	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+NH4"	18.033823
"796027"	2196.290923	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+NH4"	18.033823
"1693453"	744.119523	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+NH4"	18.033823
"340637"	735.6062495	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+H+NH4"	19.041099
"735247"	1098.6490995	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+H+NH4"	19.041099
"1484693"	372.5633995	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H+NH4"	19.041099
"404466"	1475.160618	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+Na"	22.989218
"763275"	2201.246318	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+Na"	22.989218
"1609187"	749.074918	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Na"	22.989218
"320316"	738.083947	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+H+Na"	23.996494
"711644"	1101.126797	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+H+Na"	23.996494
"1466555"	375.041097	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H+Na"	23.996494
"1056518"	250.363156666667	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2H+Na"	25.00377
"1262572"	759.119186	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+CH3OH+H"	33.033486
"383332"	1491.134558	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+K"	38.963158
"744324"	2217.220258	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+K"	38.963158
"1549659"	765.048858	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+K"	38.963158
"304648"	746.070917	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+H+K"	39.970434
"694883"	1109.113767	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+H+K"	39.970434
"1449066"	383.028067	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H+K"	39.970434
"238405"	1494.205226	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+ACN+H"	42.033826
"1212208"	768.119526	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+ACN+H"	42.033826
"1198279"	384.563401	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+ACN+2H"	43.041102
"193703"	1497.14256	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+2Na-H"	44.97116
"636182"	2223.22826	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+2Na-H"	44.97116
"1137867"	771.05686	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2Na-H"	44.97116
"177510"	749.074918	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+2Na"	45.978436
"621447"	1112.117768	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+2Na"	45.978436
"1124955"	386.032068	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2Na"	45.978436
"1410667"	257.690470666667	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H+2Na"	46.985712
"1444608"	773.098446	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H+HCOOH"	47.012746
"232479"	754.10794	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+3H2O+2H"	56.04448
"1520541"	787.15049	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+IsoProp+H"	61.06479
"421691"	757.061888	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+Na+K"	61.952376
"784021"	1120.104738	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+Na+K"	61.952376
"1678650"	394.019038	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Na+K"	61.952376
"264072"	1516.187168	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+ACN+Na"	64.015768
"1238968"	790.101468	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+ACN+Na"	64.015768
"1724215"	790.124993	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+NH4+HCOOH"	64.039293
"1188838"	265.017784666667	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+3Na"	68.967654
"1659098"	795.080388	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Na+HCOOH"	68.994688
"163771"	1529.09044	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+2K-H"	76.91904
"606977"	2255.17614	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+2K-H"	76.91904
"1096956"	803.00474	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2K-H"	76.91904
"153042"	765.048858	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"2M+2K"	77.926316
"584221"	1128.091708	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"3M+2K"	77.926316
"1073836"	402.006008	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2K"	77.926316
"1100485"	805.019292	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2K+H"	78.933592
"1343429"	805.106907	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+DMSO+H"	79.021207
"1010863"	809.146076	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2ACN+H"	83.060376
"1527896"	810.139708	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+IsoProp+Na+H"	84.054008
"999814"	405.076676	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+2ACN+2H"	84.067652
"1597598"	811.054328	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+K+HCOOH"	84.968628
"1415602"	841.085838	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+H+CF3COOH"	115.000138
"1152453"	425.589951	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+3ACN+2H"	125.094202
"1709659"	858.112385	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+NH4+CF3COOH"	132.026685
"1644219"	863.06778	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+Na+CF3COOH"	136.98208
"1585338"	879.04172	"C19978"	"Sclerocitrin"	"C36H22O17"	"726.0857"	"M+K+CF3COOH"	152.95602
"805861"	338.079	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M"	0
"988877"	319.06061	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-H2O-H"	-19.01839
"70919"	224.378724	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M-3H"	-3.021828
"506108"	337.071724	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M-3H"	-3.021828
"883909"	111.685724	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-3H"	-3.021828
"4672"	337.071724	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M-2H"	-2.014552
"442044"	506.111224	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M-2H"	-2.014552
"823128"	168.032224	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-2H"	-2.014552
"80933"	675.150724	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M-H"	-1.007276
"525962"	1013.229724	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M-H"	-1.007276
"901578"	337.071724	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-H"	-1.007276
"50487"	692.177271	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M-2H+NH4"	16.019271
"487448"	1030.256271	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M-2H+NH4"	16.019271
"864558"	354.098271	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-2H+NH4"	16.019271
"32953"	697.132666	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M-2H+Na"	20.974666
"472392"	1035.211666	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M-2H+Na"	20.974666
"852017"	359.053666	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-2H+Na"	20.974666
"1625925"	359.053666	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Na-2H"	20.974666
"98081"	355.060063	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M-H+Cl"	33.962126
"536549"	524.099563	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M-H+Cl"	33.962126
"928120"	186.020563	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-H+Cl"	33.962126
"269712"	711.127402	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+Cl"	34.969402
"661647"	1049.206402	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+Cl"	34.969402
"1277094"	373.048402	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Cl"	34.969402
"22566"	713.106606	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M-2H+K"	36.948606
"463222"	1051.185606	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M-2H+K"	36.948606
"841025"	375.027606	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-2H+K"	36.948606
"1570840"	375.027606	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+K-2H"	36.948606
"956775"	383.077194	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-H+HCOOH"	44.998194
"372437"	721.156201	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+HCOOH-H"	44.998201
"358872"	735.171851	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+Hac-H"	59.013851
"1504424"	397.092851	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Hac-H"	59.013851
"966500"	405.059151	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-H+NaCOOH"	66.980151
"120881"	373.048402	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+2Cl"	69.938804
"560438"	542.087902	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+2Cl"	69.938804
"1023406"	204.008902	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2Cl"	69.938804
"1243712"	416.997885	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Br"	78.918885
"1305428"	419.053872	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Cl+HCOOH"	80.974872
"1322927"	441.035829	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Cl+NaCOOH"	102.956829
"914352"	451.064586	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M-H+CF3COOH"	112.985586
"1292157"	487.041264	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Cl+CF3COOH"	148.962264
"1370320"	303.066324	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H-2H2O"	-35.012676
"1397299"	321.0763	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H-H2O"	-17.0027
"296257"	677.165276	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+H"	1.007276
"685397"	1015.244276	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+H"	1.007276
"1365025"	339.086276	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H"	1.007276
"140101"	339.086276	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+2H"	2.014552
"578569"	508.125776	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+2H"	2.014552
"1047367"	170.046776	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2H"	2.014552
"211988"	226.393276	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+3H"	3.021828
"659087"	339.086276	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+3H"	3.021828
"1176237"	113.700276	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+3H"	3.021828
"439519"	694.191823	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+NH4"	18.033823
"796137"	1032.270823	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+NH4"	18.033823
"1691374"	356.112823	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+NH4"	18.033823
"339654"	347.5995495	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+H+NH4"	19.041099
"728796"	516.6390495	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+H+NH4"	19.041099
"1482617"	178.5600495	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H+NH4"	19.041099
"395829"	699.147218	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+Na"	22.989218
"757915"	1037.226218	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+Na"	22.989218
"1606016"	361.068218	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Na"	22.989218
"319329"	350.077247	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+H+Na"	23.996494
"711751"	519.116747	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+H+Na"	23.996494
"1464110"	181.037747	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H+Na"	23.996494
"1055898"	121.02759	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2H+Na"	25.00377
"1259401"	371.112486	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+CH3OH+H"	33.033486
"381254"	715.121158	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+K"	38.963158
"742250"	1053.200158	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+K"	38.963158
"1541020"	377.042158	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+K"	38.963158
"300384"	358.064217	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+H+K"	39.970434
"693901"	527.103717	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+H+K"	39.970434
"1449177"	189.024717	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H+K"	39.970434
"237785"	718.191826	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+ACN+H"	42.033826
"1212681"	380.112826	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+ACN+H"	42.033826
"1197297"	190.560051	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+ACN+2H"	43.041102
"193814"	721.12916	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+2Na-H"	44.97116
"631917"	1059.20816	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+2Na-H"	44.97116
"1139801"	383.05016	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2Na-H"	44.97116
"178714"	361.068218	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+2Na"	45.978436
"619370"	530.107718	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+2Na"	45.978436
"1122879"	192.028718	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2Na"	45.978436
"1412603"	128.354904	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H+2Na"	46.985712
"1443988"	385.091746	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H+HCOOH"	47.012746
"232589"	366.10124	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+3H2O+2H"	56.04448
"1517370"	399.14379	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+IsoProp+H"	61.06479
"420339"	369.055188	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+Na+K"	61.952376
"783522"	538.094688	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+Na+K"	61.952376
"1679974"	200.015688	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Na+K"	61.952376
"259808"	740.173768	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+ACN+Na"	64.015768
"1235798"	402.094768	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+ACN+Na"	64.015768
"1722499"	402.118293	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+NH4+HCOOH"	64.039293
"1184575"	135.682218	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+3Na"	68.967654
"1659937"	407.073688	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Na+HCOOH"	68.994688
"163518"	753.07704	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+2K-H"	76.91904
"605265"	1091.15604	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+2K-H"	76.91904
"1091961"	414.99804	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2K-H"	76.91904
"142096"	377.042158	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"2M+2K"	77.926316
"581776"	546.081658	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"3M+2K"	77.926316
"1072851"	208.002658	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2K"	77.926316
"1102780"	417.012592	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2K+H"	78.933592
"1336124"	417.100207	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+DMSO+H"	79.021207
"1006719"	421.139376	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2ACN+H"	83.060376
"1524723"	422.133008	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+IsoProp+Na+H"	84.054008
"996644"	211.073326	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+2ACN+2H"	84.067652
"1595522"	423.047628	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+K+HCOOH"	84.968628
"1415712"	453.079138	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+H+CF3COOH"	115.000138
"1152561"	231.586601	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+3ACN+2H"	125.094202
"1709769"	470.105685	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+NH4+CF3COOH"	132.026685
"1641049"	475.06108	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+Na+CF3COOH"	136.98208
"1585448"	491.03502	"C19979"	"Ustalic acid"	"C19H14O6"	"338.079"	"M+K+CF3COOH"	152.95602
"809252"	325.1314	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M"	0
"989230"	306.11301	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-H2O-H"	-19.01839
"72124"	215.746990666667	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M-3H"	-3.021828
"510592"	324.124124	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M-3H"	-3.021828
"888393"	107.369857333333	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-3H"	-3.021828
"4782"	324.124124	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M-2H"	-2.014552
"446528"	486.689824	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M-2H"	-2.014552
"823239"	161.558424	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-2H"	-2.014552
"82136"	649.255524	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M-H"	-1.007276
"524979"	974.386924	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M-H"	-1.007276
"900595"	324.124124	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-H"	-1.007276
"49504"	666.282071	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M-2H+NH4"	16.019271
"488452"	991.413471	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M-2H+NH4"	16.019271
"865283"	341.150671	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-2H+NH4"	16.019271
"32820"	671.237466	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M-2H+Na"	20.974666
"472499"	996.368866	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M-2H+Na"	20.974666
"851276"	346.106066	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-2H+Na"	20.974666
"1620689"	346.106066	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Na-2H"	20.974666
"96005"	342.112463	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M-H+Cl"	33.962126
"542126"	504.678163	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M-H+Cl"	33.962126
"930540"	179.546763	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-H+Cl"	33.962126
"269098"	685.232202	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+Cl"	34.969402
"660907"	1010.363602	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+Cl"	34.969402
"1274288"	360.100802	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Cl"	34.969402
"21217"	687.211406	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M-2H+K"	36.948606
"460051"	1012.342806	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M-2H+K"	36.948606
"839312"	362.080006	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-2H+K"	36.948606
"1570587"	362.080006	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+K-2H"	36.948606
"956887"	370.129594	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-H+HCOOH"	44.998194
"372184"	695.261001	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+HCOOH-H"	44.998201
"356066"	709.276651	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+Hac-H"	59.013851
"1502712"	384.145251	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Hac-H"	59.013851
"968432"	392.111551	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-H+NaCOOH"	66.980151
"120991"	360.100802	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+2Cl"	69.938804
"558363"	522.666502	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+2Cl"	69.938804
"1022299"	197.535102	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2Cl"	69.938804
"1242608"	404.050285	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Br"	78.918885
"1305908"	406.106272	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Cl+HCOOH"	80.974872
"1323404"	428.088229	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Cl+NaCOOH"	102.956829
"914098"	438.116986	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M-H+CF3COOH"	112.985586
"1291173"	474.093664	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Cl+CF3COOH"	148.962264
"1370430"	290.118724	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H-2H2O"	-35.012676
"1393399"	308.1287	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H-H2O"	-17.0027
"294177"	651.270076	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+H"	1.007276
"684412"	976.401476	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+H"	1.007276
"1362948"	326.138676	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H"	1.007276
"139118"	326.138676	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+2H"	2.014552
"574304"	488.704376	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+2H"	2.014552
"1046383"	163.572976	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2H"	2.014552
"212098"	217.761542666667	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+3H"	3.021828
"656036"	326.138676	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+3H"	3.021828
"1173067"	109.384409333333	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+3H"	3.021828
"438165"	668.296623	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+NH4"	18.033823
"796247"	993.428023	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+NH4"	18.033823
"1691483"	343.165223	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+NH4"	18.033823
"339765"	334.6519495	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+H+NH4"	19.041099
"728540"	497.2176495	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+H+NH4"	19.041099
"1483818"	172.0862495	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H+NH4"	19.041099
"398123"	673.252018	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+Na"	22.989218
"756933"	998.383418	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+Na"	22.989218
"1605031"	348.120618	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Na"	22.989218
"320532"	337.129647	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+H+Na"	23.996494
"712225"	499.695347	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+H+Na"	23.996494
"1464951"	174.563947	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H+Na"	23.996494
"1056009"	116.711723333333	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2H+Na"	25.00377
"1257930"	358.164886	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+CH3OH+H"	33.033486
"380273"	689.225958	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+K"	38.963158
"740174"	1014.357358	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+K"	38.963158
"1542225"	364.094558	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+K"	38.963158
"301951"	345.116617	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+H+K"	39.970434
"692918"	507.682317	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+H+K"	39.970434
"1447463"	182.550917	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H+K"	39.970434
"238624"	692.296626	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+ACN+H"	42.033826
"1213520"	367.165226	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+ACN+H"	42.033826
"1200687"	184.086251	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+ACN+2H"	43.041102
"194653"	695.23396	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+2Na-H"	44.97116
"636402"	1020.36536	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+2Na-H"	44.97116
"1139912"	370.10256	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2Na-H"	44.97116
"179553"	348.120618	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+2Na"	45.978436
"621669"	510.686318	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+2Na"	45.978436
"1122260"	185.554918	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2Na"	45.978436
"1411981"	124.039037333333	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H+2Na"	46.985712
"1443004"	372.144146	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H+HCOOH"	47.012746
"232699"	353.15364	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+3H2O+2H"	56.04448
"1515293"	386.19619	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+IsoProp+H"	61.06479
"422273"	356.107588	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+Na+K"	61.952376
"783999"	518.673288	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+Na+K"	61.952376
"1679358"	193.541888	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Na+K"	61.952376
"264293"	714.278568	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+ACN+Na"	64.015768
"1239188"	389.147168	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+ACN+Na"	64.015768
"1722610"	389.170693	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+NH4+HCOOH"	64.039293
"1191246"	131.366351333333	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+3Na"	68.967654
"1658954"	394.126088	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Na+HCOOH"	68.994688
"165815"	727.18184	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+2K-H"	76.91904
"607562"	1052.31324	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+2K-H"	76.91904
"1097175"	402.05044	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2K-H"	76.91904
"143787"	364.094558	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"2M+2K"	77.926316
"582254"	526.660258	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"3M+2K"	77.926316
"1071869"	201.528858	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2K"	77.926316
"1101067"	404.064992	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2K+H"	78.933592
"1339276"	404.152607	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+DMSO+H"	79.021207
"1007190"	408.191776	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2ACN+H"	83.060376
"1530304"	409.185408	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+IsoProp+Na+H"	84.054008
"993475"	204.599526	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+2ACN+2H"	84.067652
"1592351"	410.100028	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+K+HCOOH"	84.968628
"1421290"	440.131538	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+H+CF3COOH"	115.000138
"1152673"	225.112801	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+3ACN+2H"	125.094202
"1703318"	457.158085	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+NH4+CF3COOH"	132.026685
"1641159"	462.11348	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+Na+CF3COOH"	136.98208
"1585558"	478.08742	"C19980"	"Domesticine"	"C19H19NO4"	"325.1314"	"M+K+CF3COOH"	152.95602
"806081"	385.1525	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M"	0
"988007"	366.13411	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-H2O-H"	-19.01839
"77702"	255.761057333333	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M-3H"	-3.021828
"512889"	384.145224	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M-3H"	-3.021828
"887410"	127.376890666667	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-3H"	-3.021828
"7079"	384.145224	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M-2H"	-2.014552
"446638"	576.721474	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M-2H"	-2.014552
"823349"	191.568974	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-2H"	-2.014552
"85527"	769.297724	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M-H"	-1.007276
"529462"	1154.450224	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M-H"	-1.007276
"905078"	384.145224	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-H"	-1.007276
"53987"	786.324271	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M-2H+NH4"	16.019271
"489172"	1171.476771	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M-2H+NH4"	16.019271
"865633"	401.171771	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-2H+NH4"	16.019271
"33781"	791.279666	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M-2H+Na"	20.974666
"472731"	1176.432166	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M-2H+Na"	20.974666
"851144"	406.127166	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-2H+Na"	20.974666
"1620679"	406.127166	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Na-2H"	20.974666
"96115"	402.133563	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M-H+Cl"	33.962126
"538956"	594.709813	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M-H+Cl"	33.962126
"928583"	209.557313	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-H+Cl"	33.962126
"268234"	805.274402	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+Cl"	34.969402
"660285"	1190.426902	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+Cl"	34.969402
"1273419"	420.121902	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Cl"	34.969402
"16342"	807.253606	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M-2H+K"	36.948606
"458337"	1192.406106	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M-2H+K"	36.948606
"839058"	422.101106	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-2H+K"	36.948606
"1570777"	422.101106	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+K-2H"	36.948606
"956998"	430.150694	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-H+HCOOH"	44.998194
"374116"	815.303201	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+HCOOH-H"	44.998201
"356540"	829.318851	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+Hac-H"	59.013851
"1505373"	444.166351	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Hac-H"	59.013851
"968906"	452.132651	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-H+NaCOOH"	66.980151
"120007"	420.121902	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+2Cl"	69.938804
"560659"	612.698152	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+2Cl"	69.938804
"1028365"	227.545652	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2Cl"	69.938804
"1247943"	464.071385	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Br"	78.918885
"1314765"	466.127372	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Cl+HCOOH"	80.974872
"1324608"	488.109329	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Cl+NaCOOH"	102.956829
"916760"	498.138086	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M-H+CF3COOH"	112.985586
"1290190"	534.114764	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Cl+CF3COOH"	148.962264
"1367866"	350.139824	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H-2H2O"	-35.012676
"1394602"	368.1498	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H-H2O"	-17.0027
"295382"	771.312276	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+H"	1.007276
"687802"	1156.464776	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+H"	1.007276
"1365243"	386.159776	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H"	1.007276
"134853"	386.159776	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+2H"	2.014552
"580610"	578.736026	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+2H"	2.014552
"1048680"	193.583526	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2H"	2.014552
"213301"	257.775609333333	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+3H"	3.021828
"657240"	386.159776	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+3H"	3.021828
"1177553"	129.391442666667	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+3H"	3.021828
"438275"	788.338823	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+NH4"	18.033823
"798544"	1173.491323	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+NH4"	18.033823
"1691593"	403.186323	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+NH4"	18.033823
"342061"	394.6730495	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+H+NH4"	19.041099
"733389"	587.2492995	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+H+NH4"	19.041099
"1482836"	202.0967995	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H+NH4"	19.041099
"398235"	793.294218	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+Na"	22.989218
"757043"	1178.446718	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+Na"	22.989218
"1605142"	408.141718	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Na"	22.989218
"318456"	397.150747	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+H+Na"	23.996494
"708693"	589.726997	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+H+Na"	23.996494
"1464696"	204.574497	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H+Na"	23.996494
"1055758"	136.718756666667	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2H+Na"	25.00377
"1258041"	418.185986	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+CH3OH+H"	33.033486
"381475"	809.268158	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+K"	38.963158
"741379"	1194.420658	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+K"	38.963158
"1546710"	424.115658	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+K"	38.963158
"300604"	405.137717	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+H+K"	39.970434
"692177"	597.713967	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+H+K"	39.970434
"1448668"	212.561467	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H+K"	39.970434
"239828"	812.338826	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+ACN+H"	42.033826
"1212537"	427.186326	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+ACN+H"	42.033826
"1197517"	214.096801	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+ACN+2H"	43.041102
"194763"	815.27616	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+2Na-H"	44.97116
"635418"	1200.42866	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+2Na-H"	44.97116
"1140020"	430.12366	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2Na-H"	44.97116
"175774"	408.141718	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+2Na"	45.978436
"618495"	600.717968	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+2Na"	45.978436
"1127105"	215.565468	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2Na"	45.978436
"1404434"	144.046070666667	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H+2Na"	46.985712
"1440926"	432.165246	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H+HCOOH"	47.012746
"229529"	413.17474	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+3H2O+2H"	56.04448
"1517590"	446.21729	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+IsoProp+H"	61.06479
"419466"	416.128688	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+Na+K"	61.952376
"779367"	608.704938	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+Na+K"	61.952376
"1675696"	223.552438	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Na+K"	61.952376
"260028"	834.320768	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+ACN+Na"	64.015768
"1232737"	449.168268	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+ACN+Na"	64.015768
"1726365"	449.191793	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+NH4+HCOOH"	64.039293
"1190263"	151.373384666667	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+3Na"	68.967654
"1657970"	454.147188	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Na+HCOOH"	68.994688
"164831"	847.22404	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+2K-H"	76.91904
"607672"	1232.37654	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+2K-H"	76.91904
"1092181"	462.07154	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2K-H"	76.91904
"150093"	424.115658	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"2M+2K"	77.926316
"582601"	616.691908	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"3M+2K"	77.926316
"1071980"	231.539408	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2K"	77.926316
"1101541"	464.086092	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2K+H"	78.933592
"1338293"	464.173707	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+DMSO+H"	79.021207
"1007062"	468.212876	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2ACN+H"	83.060376
"1531508"	469.206508	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+IsoProp+Na+H"	84.054008
"996865"	234.610076	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+2ACN+2H"	84.067652
"1595741"	470.121128	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+K+HCOOH"	84.968628
"1419214"	500.152638	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+H+CF3COOH"	115.000138
"1156063"	255.123351	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+3ACN+2H"	125.094202
"1703428"	517.179185	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+NH4+CF3COOH"	132.026685
"1644549"	522.13458	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+Na+CF3COOH"	136.98208
"1585668"	538.10852	"C19981"	"Gloriosine;N-Deacetyl-N-formylcolchicine"	"C21H23NO6"	"385.1525"	"M+K+CF3COOH"	152.95602
"806192"	328.1787	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M"	0
"989657"	309.16031	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-H2O-H"	-19.01839
"74531"	217.778524	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M-3H"	-3.021828
"517619"	327.171424	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M-3H"	-3.021828
"890801"	108.385624	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-3H"	-3.021828
"14843"	327.171424	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M-2H"	-2.014552
"445655"	491.260774	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M-2H"	-2.014552
"826739"	163.082074	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-2H"	-2.014552
"85638"	655.350124	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M-H"	-1.007276
"527388"	983.528824	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M-H"	-1.007276
"897535"	327.171424	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-H"	-1.007276
"47655"	672.376671	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M-2H+NH4"	16.019271
"487579"	1000.555371	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M-2H+NH4"	16.019271
"864532"	344.197971	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-2H+NH4"	16.019271
"36080"	677.332066	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M-2H+Na"	20.974666
"473453"	1005.510766	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M-2H+Na"	20.974666
"849065"	349.153366	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-2H+Na"	20.974666
"1621882"	349.153366	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Na-2H"	20.974666
"96221"	345.159763	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M-H+Cl"	33.962126
"539066"	509.249113	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M-H+Cl"	33.962126
"928572"	181.070413	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-H+Cl"	33.962126
"268952"	691.326802	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+Cl"	34.969402
"660188"	1019.505502	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+Cl"	34.969402
"1273073"	363.148102	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Cl"	34.969402
"15997"	693.306006	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M-2H+K"	36.948606
"459540"	1021.484706	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M-2H+K"	36.948606
"837707"	365.127306	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-2H+K"	36.948606
"1570800"	365.127306	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+K-2H"	36.948606
"954917"	373.176894	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-H+HCOOH"	44.998194
"372039"	701.355601	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+HCOOH-H"	44.998201
"351547"	715.371251	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+Hac-H"	59.013851
"1498193"	387.192551	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Hac-H"	59.013851
"965736"	395.158851	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-H+NaCOOH"	66.980151
"121209"	363.148102	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+2Cl"	69.938804
"559676"	527.237452	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+2Cl"	69.938804
"1024102"	199.058752	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2Cl"	69.938804
"1248053"	407.097585	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Br"	78.918885
"1307224"	409.153572	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Cl+HCOOH"	80.974872
"1321438"	431.135529	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Cl+NaCOOH"	102.956829
"920151"	441.164286	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M-H+CF3COOH"	112.985586
"1294675"	477.140964	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Cl+CF3COOH"	148.962264
"1377211"	293.166024	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H-2H2O"	-35.012676
"1396898"	311.176	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H-H2O"	-17.0027
"298475"	657.364676	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+H"	1.007276
"687911"	985.543376	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+H"	1.007276
"1365353"	329.185976	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H"	1.007276
"141414"	329.185976	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+2H"	2.014552
"579989"	493.275326	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+2H"	2.014552
"1052069"	165.096626	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2H"	2.014552
"219125"	219.793076	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+3H"	3.021828
"657348"	329.185976	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+3H"	3.021828
"1172194"	110.400176	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+3H"	3.021828
"439479"	674.391223	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+NH4"	18.033823
"800473"	1002.569923	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+NH4"	18.033823
"1693890"	346.212523	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+NH4"	18.033823
"342169"	337.6992495	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+H+NH4"	19.041099
"734590"	501.7885995	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+H+NH4"	19.041099
"1487319"	173.6098995	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H+NH4"	19.041099
"403811"	679.346618	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+Na"	22.989218
"756423"	1007.525318	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+Na"	22.989218
"1603549"	351.167918	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Na"	22.989218
"316379"	340.176947	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+H+Na"	23.996494
"708800"	504.266297	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+H+Na"	23.996494
"1462986"	176.087597	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H+Na"	23.996494
"1055869"	117.72749	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2H+Na"	25.00377
"1260096"	361.212186	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+CH3OH+H"	33.033486
"381587"	695.320558	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+K"	38.963158
"744769"	1023.499258	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+K"	38.963158
"1545727"	367.141858	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+K"	38.963158
"301079"	348.163917	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+H+K"	39.970434
"693502"	512.253267	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+H+K"	39.970434
"1448052"	184.074567	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H+K"	39.970434
"244315"	698.391226	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+ACN+H"	42.033826
"1219211"	370.212526	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+ACN+H"	42.033826
"1200909"	185.609901	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+ACN+2H"	43.041102
"197061"	701.32856	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+2Na-H"	44.97116
"634435"	1029.50726	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+2Na-H"	44.97116
"1139036"	373.14986	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2Na-H"	44.97116
"177220"	351.167918	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+2Na"	45.978436
"618969"	515.257268	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+2Na"	45.978436
"1124299"	187.078568	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2Na"	45.978436
"1405637"	125.054804	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H+2Na"	46.985712
"1442131"	375.191446	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H+HCOOH"	47.012746
"229639"	356.20094	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+3H2O+2H"	56.04448
"1515513"	389.24349	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+IsoProp+H"	61.06479
"420670"	359.154888	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+Na+K"	61.952376
"778384"	523.244238	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+Na+K"	61.952376
"1675808"	195.065538	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Na+K"	61.952376
"263420"	720.373168	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+ACN+Na"	64.015768
"1237221"	392.194468	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+ACN+Na"	64.015768
"1727202"	392.217993	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+NH4+HCOOH"	64.039293
"1192558"	132.382118	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+3Na"	68.967654
"1663182"	397.173388	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Na+HCOOH"	68.994688
"170773"	733.27644	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+2K-H"	76.91904
"607780"	1061.45514	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+2K-H"	76.91904
"1095572"	405.09774	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2K-H"	76.91904
"150203"	367.141858	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"2M+2K"	77.926316
"594138"	531.231208	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"3M+2K"	77.926316
"1078650"	203.052508	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2K"	77.926316
"1102019"	407.112292	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2K+H"	78.933592
"1336702"	407.199907	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+DMSO+H"	79.021207
"1010212"	411.239076	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2ACN+H"	83.060376
"1531619"	412.232708	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+IsoProp+Na+H"	84.054008
"999162"	206.123176	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+2ACN+2H"	84.067652
"1598038"	413.147328	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+K+HCOOH"	84.968628
"1419324"	443.178838	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+H+CF3COOH"	115.000138
"1156173"	226.636451	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+3ACN+2H"	125.094202
"1710099"	460.205385	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+NH4+CF3COOH"	132.026685
"1644659"	465.16078	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+Na+CF3COOH"	136.98208
"1585778"	481.13472	"C19982"	"Gelsedine;(Spiro(3H-indole-37(6H)-(3) (6)methano(1H)oxepino(43-b)pyrrol)-2(1H)-one) 2-ethyl-233a 488a-hexahydro-1-methoxy-"	"C19H24N2O3"	"328.1787"	"M+K+CF3COOH"	152.95602
"806301"	143.131	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M"	0
"988588"	124.11261	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-H2O-H"	-19.01839
"74641"	94.4133906666667	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M-3H"	-3.021828
"517483"	142.123724	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M-3H"	-3.021828
"890911"	46.7030573333333	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-3H"	-3.021828
"11673"	142.123724	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M-2H"	-2.014552
"445765"	213.689224	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M-2H"	-2.014552
"823569"	70.558224	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-2H"	-2.014552
"85749"	285.254724	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M-H"	-1.007276
"523124"	428.385724	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M-H"	-1.007276
"896673"	142.123724	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-H"	-1.007276
"48740"	302.281271	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M-2H+NH4"	16.019271
"487192"	445.412271	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M-2H+NH4"	16.019271
"865493"	159.150271	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-2H+NH4"	16.019271
"34004"	307.236666	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M-2H+Na"	20.974666
"471413"	450.367666	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M-2H+Na"	20.974666
"848563"	164.105666	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-2H+Na"	20.974666
"1618446"	164.105666	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Na-2H"	20.974666
"95603"	160.112063	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M-H+Cl"	33.962126
"539176"	231.677563	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M-H+Cl"	33.962126
"929047"	88.546563	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-H+Cl"	33.962126
"269063"	321.231402	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+Cl"	34.969402
"659948"	464.362402	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+Cl"	34.969402
"1272870"	178.100402	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Cl"	34.969402
"15909"	323.210606	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M-2H+K"	36.948606
"456487"	466.341606	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M-2H+K"	36.948606
"834901"	180.079606	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-2H+K"	36.948606
"1565684"	180.079606	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+K-2H"	36.948606
"953934"	188.129194	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-H+HCOOH"	44.998194
"371056"	331.260201	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+HCOOH-H"	44.998201
"350564"	345.275851	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+Hac-H"	59.013851
"1498303"	202.144851	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Hac-H"	59.013851
"968033"	210.111151	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-H+NaCOOH"	66.980151
"120225"	178.100402	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+2Cl"	69.938804
"557598"	249.665902	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+2Cl"	69.938804
"1024212"	106.534902	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2Cl"	69.938804
"1247070"	222.049885	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Br"	78.918885
"1307334"	224.105872	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Cl+HCOOH"	80.974872
"1322641"	246.087829	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Cl+NaCOOH"	102.956829
"920261"	256.116586	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M-H+CF3COOH"	112.985586
"1294785"	292.093264	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Cl+CF3COOH"	148.962264
"1374041"	108.118324	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H-2H2O"	-35.012676
"1394823"	126.1283	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H-H2O"	-17.0027
"294506"	287.269276	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+H"	1.007276
"686928"	430.400276	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+H"	1.007276
"1366517"	144.138276	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H"	1.007276
"141318"	144.138276	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+2H"	2.014552
"579735"	215.703776	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+2H"	2.014552
"1050356"	72.572776	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2H"	2.014552
"219719"	96.4279426666667	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+3H"	3.021828
"656364"	144.138276	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+3H"	3.021828
"1172304"	48.7176093333333	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+3H"	3.021828
"439103"	304.295823	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+NH4"	18.033823
"798761"	447.426823	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+NH4"	18.033823
"1692907"	161.164823	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+NH4"	18.033823
"342279"	152.6515495	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+H+NH4"	19.041099
"734701"	224.2170495	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+H+NH4"	19.041099
"1487429"	81.0860495	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H+NH4"	19.041099
"399547"	309.251218	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+Na"	22.989218
"757262"	452.382218	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+Na"	22.989218
"1602732"	166.120218	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Na"	22.989218
"315763"	155.129247	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+H+Na"	23.996494
"707932"	226.694747	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+H+Na"	23.996494
"1462000"	83.563747	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H+Na"	23.996494
"1055249"	56.0449233333333	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2H+Na"	25.00377
"1258384"	176.164486	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+CH3OH+H"	33.033486
"380603"	325.225158	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+K"	38.963158
"742693"	468.356158	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+K"	38.963158
"1540492"	182.094158	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+K"	38.963158
"299081"	163.116217	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+H+K"	39.970434
"691582"	234.681717	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+H+K"	39.970434
"1445808"	91.550717	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H+K"	39.970434
"243332"	328.295826	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+ACN+H"	42.033826
"1218228"	185.164826	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+ACN+H"	42.033826
"1201019"	93.086051	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+ACN+2H"	43.041102
"194984"	331.23316	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+2Na-H"	44.97116
"634545"	474.36416	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+2Na-H"	44.97116
"1136958"	188.10216	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2Na-H"	44.97116
"176237"	166.120218	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+2Na"	45.978436
"618715"	237.685718	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+2Na"	45.978436
"1123317"	94.554718	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2Na"	45.978436
"1407934"	63.3722373333333	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H+2Na"	46.985712
"1442241"	190.143746	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H+HCOOH"	47.012746
"229749"	171.15324	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+3H2O+2H"	56.04448
"1516717"	204.19579	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+IsoProp+H"	61.06479
"420780"	174.107188	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+Na+K"	61.952376
"778494"	245.672688	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+Na+K"	61.952376
"1675918"	102.541688	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Na+K"	61.952376
"263530"	350.277768	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+ACN+Na"	64.015768
"1238424"	207.146768	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+ACN+Na"	64.015768
"1727313"	207.170293	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+NH4+HCOOH"	64.039293
"1192669"	70.6995513333333	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+3Na"	68.967654
"1659282"	212.125688	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Na+HCOOH"	68.994688
"167236"	363.18104	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+2K-H"	76.91904
"601330"	506.31204	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+2K-H"	76.91904
"1095682"	220.05004	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2K-H"	76.91904
"147033"	182.094158	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"2M+2K"	77.926316
"589872"	253.659658	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"3M+2K"	77.926316
"1070012"	110.528658	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2K"	77.926316
"1103221"	222.064592	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2K+H"	78.933592
"1339607"	222.152207	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+DMSO+H"	79.021207
"1006306"	226.191376	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2ACN+H"	83.060376
"1531729"	227.185008	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+IsoProp+Na+H"	84.054008
"999272"	113.599326	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+2ACN+2H"	84.067652
"1598148"	228.099628	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+K+HCOOH"	84.968628
"1420527"	258.131138	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+H+CF3COOH"	115.000138
"1156283"	134.112601	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+3ACN+2H"	125.094202
"1706929"	275.157685	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+NH4+CF3COOH"	132.026685
"1644769"	280.11308	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+Na+CF3COOH"	136.98208
"1585888"	296.08702	"C19983"	"Conhydrine;()-alpha-Conhydrine"	"C8H17NO"	"143.131"	"M+K+CF3COOH"	152.95602
"806411"	576.3298	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M"	0
"988821"	557.31141	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-H2O-H"	-19.01839
"75844"	383.212590666667	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M-3H"	-3.021828
"517839"	575.322524	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M-3H"	-3.021828
"893208"	191.102657333333	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-3H"	-3.021828
"10690"	575.322524	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M-2H"	-2.014552
"446968"	863.487424	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M-2H"	-2.014552
"823679"	287.157624	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-2H"	-2.014552
"84764"	1151.652324	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M-H"	-1.007276
"526514"	1727.982124	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M-H"	-1.007276
"897025"	575.322524	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-H"	-1.007276
"48850"	1168.678871	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M-2H+NH4"	16.019271
"487755"	1745.008671	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M-2H+NH4"	16.019271
"865240"	592.349071	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-2H+NH4"	16.019271
"35207"	1173.634266	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M-2H+Na"	20.974666
"471963"	1749.964066	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M-2H+Na"	20.974666
"849275"	597.304466	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-2H+Na"	20.974666
"1619669"	597.304466	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Na-2H"	20.974666
"95713"	593.310863	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M-H+Cl"	33.962126
"540380"	881.475763	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M-H+Cl"	33.962126
"929886"	305.145963	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-H+Cl"	33.962126
"268808"	1187.629002	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+Cl"	34.969402
"660367"	1763.958802	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+Cl"	34.969402
"1273257"	611.299202	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Cl"	34.969402
"16177"	1189.608206	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M-2H+K"	36.948606
"456028"	1765.938006	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M-2H+K"	36.948606
"833914"	613.278406	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-2H+K"	36.948606
"1561416"	613.278406	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+K-2H"	36.948606
"952952"	621.327994	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-H+HCOOH"	44.998194
"364604"	1197.657801	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+HCOOH-H"	44.998201
"350307"	1211.673451	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+Hac-H"	59.013851
"1496953"	635.343651	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Hac-H"	59.013851
"962676"	643.309951	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-H+NaCOOH"	66.980151
"122886"	611.299202	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+2Cl"	69.938804
"560988"	899.464102	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+2Cl"	69.938804
"1026510"	323.134302	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2Cl"	69.938804
"1249367"	655.248685	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Br"	78.918885
"1306105"	657.304672	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Cl+HCOOH"	80.974872
"1323115"	679.286629	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Cl+NaCOOH"	102.956829
"920371"	689.315386	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M-H+CF3COOH"	112.985586
"1294895"	725.292064	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Cl+CF3COOH"	148.962264
"1374151"	541.317124	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H-2H2O"	-35.012676
"1394933"	559.3271	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H-H2O"	-17.0027
"294615"	1153.666876	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+H"	1.007276
"685944"	1729.996676	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+H"	1.007276
"1365573"	577.337076	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H"	1.007276
"140286"	577.337076	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+2H"	2.014552
"581188"	865.501976	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+2H"	2.014552
"1052453"	289.172176	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2H"	2.014552
"219668"	385.227142666667	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+3H"	3.021828
"654284"	577.337076	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+3H"	3.021828
"1176785"	193.117209333333	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+3H"	3.021828
"438969"	1170.693423	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+NH4"	18.033823
"800331"	1747.023223	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+NH4"	18.033823
"1696056"	594.363623	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+NH4"	18.033823
"344333"	585.8503495	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+H+NH4"	19.041099
"735904"	874.0152495	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+H+NH4"	19.041099
"1489725"	297.6854495	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H+NH4"	19.041099
"400751"	1175.648818	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+Na"	22.989218
"760652"	1751.978618	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+Na"	22.989218
"1604743"	599.319018	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Na"	22.989218
"318788"	588.328047	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+H+Na"	23.996494
"708292"	876.492947	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+H+Na"	23.996494
"1462840"	300.163147	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H+Na"	23.996494
"1055360"	200.444523333333	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2H+Na"	25.00377
"1259587"	609.363286	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+CH3OH+H"	33.033486
"380713"	1191.622758	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+K"	38.963158
"742803"	1767.952558	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+K"	38.963158
"1540845"	615.292958	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+K"	38.963158
"300936"	596.315017	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+H+K"	39.970434
"691776"	884.479917	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+H+K"	39.970434
"1446570"	308.150117	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H+K"	39.970434
"241254"	1194.693426	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+ACN+H"	42.033826
"1216152"	618.363626	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+ACN+H"	42.033826
"1202222"	309.685451	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+ACN+2H"	43.041102
"192908"	1197.63076	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+2Na-H"	44.97116
"634655"	1773.96056	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+2Na-H"	44.97116
"1135975"	621.30096	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2Na-H"	44.97116
"175983"	599.319018	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+2Na"	45.978436
"617732"	887.483918	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+2Na"	45.978436
"1124520"	311.154118	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2Na"	45.978436
"1405858"	207.771837333333	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H+2Na"	46.985712
"1442351"	623.342546	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H+HCOOH"	47.012746
"229859"	604.35204	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+3H2O+2H"	56.04448
"1519013"	637.39459	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+IsoProp+H"	61.06479
"419796"	607.305988	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+Na+K"	61.952376
"779697"	895.470888	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+Na+K"	61.952376
"1676757"	319.141088	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Na+K"	61.952376
"262547"	1216.675368	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+ACN+Na"	64.015768
"1238171"	640.345568	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+ACN+Na"	64.015768
"1723052"	640.369093	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+NH4+HCOOH"	64.039293
"1188407"	215.099151333333	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+3Na"	68.967654
"1653196"	645.324488	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Na+HCOOH"	68.994688
"161150"	1229.57864	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+2K-H"	76.91904
"598888"	1805.90844	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+2K-H"	76.91904
"1092512"	653.24884	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2K-H"	76.91904
"143863"	615.292958	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"2M+2K"	77.926316
"587795"	903.457858	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"3M+2K"	77.926316
"1070242"	327.128058	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2K"	77.926316
"1104423"	655.263392	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2K+H"	78.933592
"1335944"	655.351007	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+DMSO+H"	79.021207
"1006175"	659.390176	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2ACN+H"	83.060376
"1527466"	660.383808	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+IsoProp+Na+H"	84.054008
"997194"	330.198726	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+2ACN+2H"	84.067652
"1596072"	661.298428	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+K+HCOOH"	84.968628
"1420637"	691.329938	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+H+CF3COOH"	115.000138
"1156393"	350.712001	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+3ACN+2H"	125.094202
"1710319"	708.356485	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+NH4+CF3COOH"	132.026685
"1644879"	713.31188	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+Na+CF3COOH"	136.98208
"1585998"	729.28582	"C19984"	"Cerberin;2-Acetylneriifolin"	"C32H48O9"	"576.3298"	"M+K+CF3COOH"	152.95602
"807614"	339.1471	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M"	0
"989859"	320.12871	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-H2O-H"	-19.01839
"78552"	225.090790666667	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M-3H"	-3.021828
"516610"	338.139824	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M-3H"	-3.021828
"895266"	112.041757333333	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-3H"	-3.021828
"10801"	338.139824	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M-2H"	-2.014552
"452185"	507.713374	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M-2H"	-2.014552
"824886"	168.566274	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-2H"	-2.014552
"87064"	677.286924	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M-H"	-1.007276
"523343"	1016.434024	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M-H"	-1.007276
"897136"	338.139824	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-H"	-1.007276
"50055"	694.313471	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M-2H+NH4"	16.019271
"492896"	1033.460571	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M-2H+NH4"	16.019271
"870698"	355.166371	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-2H+NH4"	16.019271
"35317"	699.268866	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M-2H+Na"	20.974666
"472686"	1038.415966	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M-2H+Na"	20.974666
"855961"	360.121766	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-2H+Na"	20.974666
"1622213"	360.121766	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Na-2H"	20.974666
"97649"	356.128163	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M-H+Cl"	33.962126
"542679"	525.701713	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M-H+Cl"	33.962126
"933278"	186.554613	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-H+Cl"	33.962126
"275479"	713.263602	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+Cl"	34.969402
"666807"	1052.410702	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+Cl"	34.969402
"1275201"	374.116502	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Cl"	34.969402
"23955"	715.242806	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M-2H+K"	36.948606
"461696"	1054.389906	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M-2H+K"	36.948606
"837671"	376.095706	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-2H+K"	36.948606
"1567366"	376.095706	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+K-2H"	36.948606
"953063"	384.145294	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-H+HCOOH"	44.998194
"376344"	723.292401	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+HCOOH-H"	44.998201
"350786"	737.308051	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+Hac-H"	59.013851
"1499619"	398.160951	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Hac-H"	59.013851
"971541"	406.127251	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-H+NaCOOH"	66.980151
"123000"	374.116502	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+2Cl"	69.938804
"558912"	543.690052	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+2Cl"	69.938804
"1025528"	204.542952	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2Cl"	69.938804
"1245105"	418.065985	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Br"	78.918885
"1310835"	420.121972	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Cl+HCOOH"	80.974872
"1322864"	442.103929	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Cl+NaCOOH"	102.956829
"920482"	452.132686	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M-H+CF3COOH"	112.985586
"1296097"	488.109364	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Cl+CF3COOH"	148.962264
"1374261"	304.134424	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H-2H2O"	-35.012676
"1396137"	322.1444	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H-H2O"	-17.0027
"298006"	679.301476	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+H"	1.007276
"689334"	1018.448576	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+H"	1.007276
"1365684"	340.154376	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H"	1.007276
"140640"	340.154376	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+2H"	2.014552
"579966"	509.727926	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+2H"	2.014552
"1051313"	170.580826	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2H"	2.014552
"219665"	227.105342666667	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+3H"	3.021828
"657676"	340.154376	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+3H"	3.021828
"1176173"	114.056309333333	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+3H"	3.021828
"438354"	696.328023	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+NH4"	18.033823
"797524"	1035.475123	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+NH4"	18.033823
"1693127"	357.180923	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+NH4"	18.033823
"342862"	348.6676495	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+H+NH4"	19.041099
"735650"	518.2411995	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+H+NH4"	19.041099
"1490928"	179.0940995	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H+NH4"	19.041099
"405235"	701.283418	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+Na"	22.989218
"765137"	1040.430518	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+Na"	22.989218
"1605095"	362.136318	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Na"	22.989218
"316468"	351.145347	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+H+Na"	23.996494
"707795"	520.718897	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+H+Na"	23.996494
"1463196"	181.571797	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H+Na"	23.996494
"1056200"	121.383623333333	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2H+Na"	25.00377
"1262250"	372.180586	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+CH3OH+H"	33.033486
"385197"	717.257358	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+K"	38.963158
"748379"	1056.404458	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+K"	38.963158
"1541684"	378.110258	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+K"	38.963158
"299952"	359.132317	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+H+K"	39.970434
"696754"	528.705867	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+H+K"	39.970434
"1448387"	189.558767	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H+K"	39.970434
"242458"	720.328026	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+ACN+H"	42.033826
"1215168"	381.180926	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+ACN+H"	42.033826
"1200147"	191.094101	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+ACN+2H"	43.041102
"199580"	723.26536	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+2Na-H"	44.97116
"633672"	1062.41246	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+2Na-H"	44.97116
"1142648"	384.11826	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2Na-H"	44.97116
"183750"	362.136318	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+2Na"	45.978436
"624405"	531.709868	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+2Na"	45.978436
"1129006"	192.562768	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2Na"	45.978436
"1409250"	128.710937333333	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H+2Na"	46.985712
"1441005"	386.159846	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H+HCOOH"	47.012746
"231063"	367.16934	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+3H2O+2H"	56.04448
"1519856"	400.21189	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+IsoProp+H"	61.06479
"421368"	370.123288	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+Na+K"	61.952376
"778721"	539.696838	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+Na+K"	61.952376
"1675415"	200.549738	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Na+K"	61.952376
"262294"	742.309968	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+ACN+Na"	64.015768
"1238649"	403.162868	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+ACN+Na"	64.015768
"1719157"	403.186393	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+NH4+HCOOH"	64.039293
"1187424"	136.038251333333	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+3Na"	68.967654
"1656223"	408.141788	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Na+HCOOH"	68.994688
"160170"	755.21324	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+2K-H"	76.91904
"600460"	1094.36034	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+2K-H"	76.91904
"1093716"	416.06614	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2K-H"	76.91904
"146161"	378.110258	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"2M+2K"	77.926316
"582316"	547.683808	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"3M+2K"	77.926316
"1071325"	208.536708	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2K"	77.926316
"1104535"	418.080692	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2K+H"	78.933592
"1338736"	418.168307	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+DMSO+H"	79.021207
"1013823"	422.207476	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2ACN+H"	83.060376
"1530858"	423.201108	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+IsoProp+Na+H"	84.054008
"999496"	211.607376	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+2ACN+2H"	84.067652
"1598371"	424.115728	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+K+HCOOH"	84.968628
"1428405"	454.147238	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+H+CF3COOH"	115.000138
"1155411"	232.120651	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+3ACN+2H"	125.094202
"1711524"	471.173785	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+NH4+CF3COOH"	132.026685
"1636239"	476.12918	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+Na+CF3COOH"	136.98208
"1577358"	492.10312	"C19985"	"Nantenine"	"C20H21NO4"	"339.1471"	"M+K+CF3COOH"	152.95602
"812101"	712.3306	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M"	0
"983447"	693.31221	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-H2O-H"	-19.01839
"77769"	473.879790666667	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M-3H"	-3.021828
"517818"	711.323324	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M-3H"	-3.021828
"889058"	236.436257333333	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-3H"	-3.021828
"10913"	711.323324	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M-2H"	-2.014552
"447193"	1067.488624	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M-2H"	-2.014552
"827182"	355.158024	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-2H"	-2.014552
"82802"	1423.653924	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M-H"	-1.007276
"519565"	2135.984524	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M-H"	-1.007276
"896516"	711.323324	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-H"	-1.007276
"48463"	1440.680471	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M-2H+NH4"	16.019271
"494099"	2153.011071	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M-2H+NH4"	16.019271
"871902"	728.349871	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-2H+NH4"	16.019271
"36520"	1445.635866	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M-2H+Na"	20.974666
"472556"	2157.966466	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M-2H+Na"	20.974666
"857164"	733.305266	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-2H+Na"	20.974666
"1622323"	733.305266	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Na-2H"	20.974666
"99946"	729.311663	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M-H+Cl"	33.962126
"537320"	1085.476963	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M-H+Cl"	33.962126
"934118"	373.146363	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-H+Cl"	33.962126
"275954"	1459.630602	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+Cl"	34.969402
"667284"	2171.961202	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+Cl"	34.969402
"1281874"	747.300002	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Cl"	34.969402
"20421"	1461.609806	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M-2H+K"	36.948606
"463995"	2173.940406	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M-2H+K"	36.948606
"839608"	749.279206	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-2H+K"	36.948606
"1568203"	749.279206	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+K-2H"	36.948606
"950987"	757.328794	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-H+HCOOH"	44.998194
"377062"	1469.659401	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+HCOOH-H"	44.998201
"348709"	1483.675051	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+Hac-H"	59.013851
"1507385"	771.344451	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Hac-H"	59.013851
"971649"	779.310751	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-H+NaCOOH"	66.980151
"123473"	747.300002	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+2Cl"	69.938804
"555745"	1103.465302	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+2Cl"	69.938804
"1027823"	391.134702	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2Cl"	69.938804
"1243392"	791.249485	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Br"	78.918885
"1309852"	793.305472	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Cl+HCOOH"	80.974872
"1322974"	815.287429	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Cl+NaCOOH"	102.956829
"920592"	825.316186	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M-H+CF3COOH"	112.985586
"1294020"	861.292864	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Cl+CF3COOH"	148.962264
"1374371"	677.317924	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H-2H2O"	-35.012676
"1395884"	695.3279	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H-H2O"	-17.0027
"298349"	1425.668476	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+H"	1.007276
"690174"	2137.999076	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+H"	1.007276
"1366403"	713.337876	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H"	1.007276
"141115"	713.337876	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+2H"	2.014552
"581154"	1069.503176	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+2H"	2.014552
"1052393"	357.172576	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2H"	2.014552
"219967"	475.894342666667	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+3H"	3.021828
"658150"	713.337876	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+3H"	3.021828
"1177863"	238.450809333333	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+3H"	3.021828
"439071"	1442.695023	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+NH4"	18.033823
"799457"	2155.025623	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+NH4"	18.033823
"1695788"	730.364423	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+NH4"	18.033823
"343336"	721.8511495	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+H+NH4"	19.041099
"738511"	1078.0164495	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+H+NH4"	19.041099
"1488853"	365.6858495	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H+NH4"	19.041099
"405346"	1447.650418	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+Na"	22.989218
"765976"	2159.981018	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+Na"	22.989218
"1610067"	735.319818	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Na"	22.989218
"315728"	724.328847	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+H+Na"	23.996494
"709243"	1080.494147	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+H+Na"	23.996494
"1466345"	368.163547	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H+Na"	23.996494
"1057402"	245.778123333333	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2H+Na"	25.00377
"1262360"	745.364086	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+CH3OH+H"	33.033486
"385307"	1463.624358	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+K"	38.963158
"748489"	2175.954958	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+K"	38.963158
"1540455"	751.293758	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+K"	38.963158
"300062"	732.315817	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+H+K"	39.970434
"695768"	1088.481117	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+H+K"	39.970434
"1447764"	376.150517	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H+K"	39.970434
"240382"	1466.695026	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+ACN+H"	42.033826
"1214184"	754.364426	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+ACN+H"	42.033826
"1198432"	377.685851	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+ACN+2H"	43.041102
"199691"	1469.63236	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+2Na-H"	44.97116
"637062"	2181.96296	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+2Na-H"	44.97116
"1145552"	757.30176	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2Na-H"	44.97116
"183860"	735.319818	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+2Na"	45.978436
"626703"	1091.485118	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+2Na"	45.978436
"1126929"	379.154518	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2Na"	45.978436
"1409362"	253.105437333333	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H+2Na"	46.985712
"1439292"	759.343346	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H+HCOOH"	47.012746
"232272"	740.35284	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+3H2O+2H"	56.04448
"1521062"	773.39539	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+IsoProp+H"	61.06479
"421110"	743.306788	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+Na+K"	61.952376
"783930"	1099.472088	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+Na+K"	61.952376
"1676254"	387.141488	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Na+K"	61.952376
"264959"	1488.676968	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+ACN+Na"	64.015768
"1233297"	776.346368	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+ACN+Na"	64.015768
"1722546"	776.369893	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+NH4+HCOOH"	64.039293
"1190813"	260.432751333333	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+3Na"	68.967654
"1657426"	781.325288	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Na+HCOOH"	68.994688
"159916"	1501.58024	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+2K-H"	76.91904
"600570"	2213.91084	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+2K-H"	76.91904
"1093828"	789.24964	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2K-H"	76.91904
"146272"	751.293758	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"2M+2K"	77.926316
"584736"	1107.459058	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"3M+2K"	77.926316
"1073622"	395.128458	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2K"	77.926316
"1103552"	791.264192	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2K+H"	78.933592
"1338846"	791.351807	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+DMSO+H"	79.021207
"1008833"	795.390976	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2ACN+H"	83.060376
"1528784"	796.384608	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+IsoProp+Na+H"	84.054008
"997418"	398.199126	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+2ACN+2H"	84.067652
"1594110"	797.299228	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+K+HCOOH"	84.968628
"1424142"	827.330738	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+H+CF3COOH"	115.000138
"1161963"	418.712401	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+3ACN+2H"	125.094202
"1709448"	844.357285	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+NH4+CF3COOH"	132.026685
"1636349"	849.31268	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+Na+CF3COOH"	136.98208
"1577468"	865.28662	"C19986"	"Convalloside"	"C35H52O15"	"712.3306"	"M+K+CF3COOH"	152.95602
"806741"	576.3298	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M"	0
"989394"	557.31141	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-H2O-H"	-19.01839
"76181"	383.212590666667	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M-3H"	-3.021828
"514648"	575.322524	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M-3H"	-3.021828
"886982"	191.102657333333	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-3H"	-3.021828
"11024"	575.322524	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M-2H"	-2.014552
"448398"	863.487424	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M-2H"	-2.014552
"820731"	287.157624	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-2H"	-2.014552
"82547"	1151.652324	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M-H"	-1.007276
"519675"	1727.982124	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M-H"	-1.007276
"902460"	575.322524	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-H"	-1.007276
"54650"	1168.678871	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M-2H+NH4"	16.019271
"492023"	1745.008671	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M-2H+NH4"	16.019271
"873105"	592.349071	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-2H+NH4"	16.019271
"39913"	1173.634266	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M-2H+Na"	20.974666
"477286"	1749.964066	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M-2H+Na"	20.974666
"849619"	597.304466	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-2H+Na"	20.974666
"1624621"	597.304466	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Na-2H"	20.974666
"98964"	593.310863	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M-H+Cl"	33.962126
"542899"	881.475763	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M-H+Cl"	33.962126
"931677"	305.145963	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-H+Cl"	33.962126
"273880"	1187.629002	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+Cl"	34.969402
"665207"	1763.958802	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+Cl"	34.969402
"1280892"	611.299202	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Cl"	34.969402
"23448"	1189.608206	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M-2H+K"	36.948606
"461914"	1765.938006	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M-2H+K"	36.948606
"835342"	613.278406	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-2H+K"	36.948606
"1568677"	613.278406	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+K-2H"	36.948606
"957538"	621.327994	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-H+HCOOH"	44.998194
"376604"	1197.657801	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+HCOOH-H"	44.998201
"360370"	1211.673451	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+Hac-H"	59.013851
"1507498"	635.343651	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Hac-H"	59.013851
"971396"	643.309951	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-H+NaCOOH"	66.980151
"123947"	611.299202	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+2Cl"	69.938804
"560228"	899.464102	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+2Cl"	69.938804
"1027935"	323.134302	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2Cl"	69.938804
"1244597"	655.248685	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Br"	78.918885
"1308868"	657.304672	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Cl+HCOOH"	80.974872
"1323084"	679.286629	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Cl+NaCOOH"	102.956829
"920702"	689.315386	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M-H+CF3COOH"	112.985586
"1295225"	725.292064	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Cl+CF3COOH"	148.962264
"1379957"	541.317124	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H-2H2O"	-35.012676
"1397088"	559.3271	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H-H2O"	-17.0027
"297501"	1153.666876	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+H"	1.007276
"690162"	1729.996676	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+H"	1.007276
"1366030"	577.337076	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H"	1.007276
"140015"	577.337076	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+2H"	2.014552
"579818"	865.501976	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+2H"	2.014552
"1051899"	289.172176	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2H"	2.014552
"219194"	385.227142666667	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+3H"	3.021828
"658018"	577.337076	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+3H"	3.021828
"1178383"	193.117209333333	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+3H"	3.021828
"436023"	1170.693423	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+NH4"	18.033823
"794828"	1747.023223	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+NH4"	18.033823
"1692984"	594.363623	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+NH4"	18.033823
"344785"	585.8503495	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+H+NH4"	19.041099
"736601"	874.0152495	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+H+NH4"	19.041099
"1484589"	297.6854495	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H+NH4"	19.041099
"405456"	1175.648818	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+Na"	22.989218
"758798"	1751.978618	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+Na"	22.989218
"1605074"	599.319018	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Na"	22.989218
"317297"	588.328047	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+H+Na"	23.996494
"711540"	876.492947	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+H+Na"	23.996494
"1464267"	300.163147	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H+Na"	23.996494
"1056421"	200.444523333333	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2H+Na"	25.00377
"1262474"	609.363286	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+CH3OH+H"	33.033486
"381048"	1191.622758	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+K"	38.963158
"745322"	1767.952558	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+K"	38.963158
"1542999"	615.292958	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+K"	38.963158
"298667"	596.315017	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+H+K"	39.970434
"694787"	884.479917	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+H+K"	39.970434
"1457356"	308.150117	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H+K"	39.970434
"242681"	1194.693426	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+ACN+H"	42.033826
"1212108"	618.363626	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+ACN+H"	42.033826
"1204741"	309.685451	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+ACN+2H"	43.041102
"201867"	1197.63076	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+2Na-H"	44.97116
"638266"	1773.96056	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+2Na-H"	44.97116
"1145905"	621.30096	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2Na-H"	44.97116
"188106"	599.319018	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+2Na"	45.978436
"623536"	887.483918	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+2Na"	45.978436
"1129229"	311.154118	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2Na"	45.978436
"1408379"	207.771837333333	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H+2Na"	46.985712
"1441589"	623.342546	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H+HCOOH"	47.012746
"231285"	604.35204	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+3H2O+2H"	56.04448
"1521173"	637.39459	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+IsoProp+H"	61.06479
"418674"	607.305988	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+Na+K"	61.952376
"783309"	895.470888	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+Na+K"	61.952376
"1676365"	319.141088	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Na+K"	61.952376
"262521"	1216.675368	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+ACN+Na"	64.015768
"1235591"	640.345568	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+ACN+Na"	64.015768
"1721197"	640.369093	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+NH4+HCOOH"	64.039293
"1187644"	215.099151333333	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+3Na"	68.967654
"1657537"	645.324488	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Na+HCOOH"	68.994688
"163306"	1229.57864	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+2K-H"	76.91904
"605052"	1805.90844	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+2K-H"	76.91904
"1092844"	653.24884	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2K-H"	76.91904
"144193"	615.292958	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"2M+2K"	77.926316
"584847"	903.457858	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"3M+2K"	77.926316
"1073734"	327.128058	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2K"	77.926316
"1103661"	655.263392	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2K+H"	78.933592
"1338958"	655.351007	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+DMSO+H"	79.021207
"1007489"	659.390176	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2ACN+H"	83.060376
"1535455"	660.383808	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+IsoProp+Na+H"	84.054008
"1001904"	330.198726	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+2ACN+2H"	84.067652
"1598593"	661.298428	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+K+HCOOH"	84.968628
"1426440"	691.329938	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+H+CF3COOH"	115.000138
"1161101"	350.712001	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+3ACN+2H"	125.094202
"1707372"	708.356485	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+NH4+CF3COOH"	132.026685
"1645209"	713.31188	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+Na+CF3COOH"	136.98208
"1576486"	729.28582	"C19987"	"Oleandrin"	"C32H48O9"	"576.3298"	"M+K+CF3COOH"	152.95602
"806851"	404.2199	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M"	0
"989136"	385.20151	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-H2O-H"	-19.01839
"76291"	268.472657333333	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M-3H"	-3.021828
"514758"	403.212624	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M-3H"	-3.021828
"890373"	133.732690666667	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-3H"	-3.021828
"11134"	403.212624	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M-2H"	-2.014552
"449603"	605.322574	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M-2H"	-2.014552
"821936"	201.102674	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-2H"	-2.014552
"81563"	807.432524	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M-H"	-1.007276
"521486"	1211.652424	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M-H"	-1.007276
"901477"	403.212624	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-H"	-1.007276
"52573"	824.459071	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M-2H+NH4"	16.019271
"494319"	1228.678971	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M-2H+NH4"	16.019271
"872121"	420.239171	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-2H+NH4"	16.019271
"35647"	829.414466	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M-2H+Na"	20.974666
"476302"	1233.634366	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M-2H+Na"	20.974666
"848910"	425.194566	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-2H+Na"	20.974666
"1622545"	425.194566	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Na-2H"	20.974666
"99074"	421.200963	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M-H+Cl"	33.962126
"540822"	623.310913	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M-H+Cl"	33.962126
"933611"	219.091013	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-H+Cl"	33.962126
"277270"	843.409202	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+Cl"	34.969402
"667505"	1247.629102	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+Cl"	34.969402
"1283189"	439.189302	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Cl"	34.969402
"23557"	845.388406	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M-2H+K"	36.948606
"462024"	1249.608306	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M-2H+K"	36.948606
"835816"	441.168506	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-2H+K"	36.948606
"1568423"	441.168506	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+K-2H"	36.948606
"953395"	449.218094	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-H+HCOOH"	44.998194
"376067"	853.438001	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+HCOOH-H"	44.998201
"358777"	867.453651	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+Hac-H"	59.013851
"1505420"	463.233751	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Hac-H"	59.013851
"970776"	471.200051	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-H+NaCOOH"	66.980151
"121870"	439.189302	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+2Cl"	69.938804
"561432"	641.299252	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+2Cl"	69.938804
"1025858"	237.079352	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2Cl"	69.938804
"1244343"	483.138785	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Br"	78.918885
"1312260"	485.194772	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Cl+HCOOH"	80.974872
"1326474"	507.176729	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Cl+NaCOOH"	102.956829
"920813"	517.205486	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M-H+CF3COOH"	112.985586
"1300803"	553.182164	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Cl+CF3COOH"	148.962264
"1381153"	369.207224	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H-2H2O"	-35.012676
"1393181"	387.2172	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H-H2O"	-17.0027
"295057"	809.447076	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+H"	1.007276
"689664"	1213.666976	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+H"	1.007276
"1364918"	405.227176	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H"	1.007276
"140481"	405.227176	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+2H"	2.014552
"579928"	607.337126	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+2H"	2.014552
"1051766"	203.117226	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2H"	2.014552
"217967"	270.487209333333	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+3H"	3.021828
"658135"	405.227176	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+3H"	3.021828
"1177600"	135.747242666667	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+3H"	3.021828
"435767"	826.473623	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+NH4"	18.033823
"794938"	1230.693523	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+NH4"	18.033823
"1692365"	422.253723	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+NH4"	18.033823
"343925"	413.7404495	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+H+NH4"	19.041099
"733067"	615.8503995	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+H+NH4"	19.041099
"1485794"	211.6304995	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H+NH4"	19.041099
"404473"	831.429018	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+Na"	22.989218
"758908"	1235.648918	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+Na"	22.989218
"1604819"	427.209118	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Na"	22.989218
"317043"	416.218147	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+H+Na"	23.996494
"707762"	618.328097	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+H+Na"	23.996494
"1461620"	214.108197	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H+Na"	23.996494
"1055437"	143.074556666667	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2H+Na"	25.00377
"1261490"	437.253386	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+CH3OH+H"	33.033486
"382251"	847.402958	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+K"	38.963158
"743245"	1251.622858	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+K"	38.963158
"1541650"	443.183058	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+K"	38.963158
"299913"	424.205117	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+H+K"	39.970434
"694897"	626.315067	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+H+K"	39.970434
"1455279"	222.095167	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H+K"	39.970434
"241697"	850.473626	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+ACN+H"	42.033826
"1212582"	446.253726	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+ACN+H"	42.033826
"1204851"	223.630501	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+ACN+2H"	43.041102
"197725"	853.41096	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+2Na-H"	44.97116
"636190"	1257.63086	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+2Na-H"	44.97116
"1144071"	449.19106	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2Na-H"	44.97116
"186271"	427.209118	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+2Na"	45.978436
"625104"	629.319068	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+2Na"	45.978436
"1126788"	225.099168	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2Na"	45.978436
"1409582"	150.401870666667	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H+2Na"	46.985712
"1441698"	451.232646	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H+HCOOH"	47.012746
"229209"	432.24214	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+3H2O+2H"	56.04448
"1519824"	465.28469	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+IsoProp+H"	61.06479
"418054"	435.196088	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+Na+K"	61.952376
"783056"	637.306038	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+Na+K"	61.952376
"1678655"	233.086138	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Na+K"	61.952376
"259714"	872.455568	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+ACN+Na"	64.015768
"1233515"	468.235668	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+ACN+Na"	64.015768
"1719120"	468.259193	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+NH4+HCOOH"	64.039293
"1185203"	157.729184666667	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+3Na"	68.967654
"1656552"	473.214588	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Na+HCOOH"	68.994688
"164873"	885.35884	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+2K-H"	76.91904
"605162"	1289.57874	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+2K-H"	76.91904
"1091862"	481.13894	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2K-H"	76.91904
"148677"	443.183058	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"2M+2K"	77.926316
"583864"	645.293008	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"3M+2K"	77.926316
"1073844"	241.073108	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2K"	77.926316
"1103771"	483.153492	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2K+H"	78.933592
"1343442"	483.241107	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+DMSO+H"	79.021207
"1010879"	487.280276	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2ACN+H"	83.060376
"1535565"	488.273908	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+IsoProp+Na+H"	84.054008
"1002014"	244.143776	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+2ACN+2H"	84.067652
"1600890"	489.188528	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+K+HCOOH"	84.968628
"1424363"	519.220038	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+H+CF3COOH"	115.000138
"1162064"	264.657051	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+3ACN+2H"	125.094202
"1704202"	536.246585	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+NH4+CF3COOH"	132.026685
"1645319"	541.20198	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+Na+CF3COOH"	136.98208
"1576596"	557.17592	"C19988"	"Strophanthidin;Corchoside A aglycon"	"C23H32O6"	"404.2199"	"M+K+CF3COOH"	152.95602
"806961"	583.3145	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M"	0
"989792"	564.29611	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-H2O-H"	-19.01839
"78429"	387.869057333333	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M-3H"	-3.021828
"517782"	582.307224	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M-3H"	-3.021828
"894857"	193.430890666667	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-3H"	-3.021828
"12337"	582.307224	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M-2H"	-2.014552
"454086"	873.964474	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M-2H"	-2.014552
"828607"	290.649974	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-2H"	-2.014552
"85319"	1165.621724	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M-H"	-1.007276
"525971"	1748.936224	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M-H"	-1.007276
"900494"	582.307224	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-H"	-1.007276
"48673"	1182.648271	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M-2H+NH4"	16.019271
"488475"	1765.962771	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M-2H+NH4"	16.019271
"871139"	599.333771	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-2H+NH4"	16.019271
"32229"	1187.603666	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M-2H+Na"	20.974666
"471831"	1770.918166	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M-2H+Na"	20.974666
"848812"	604.289166	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-2H+Na"	20.974666
"1622655"	604.289166	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Na-2H"	20.974666
"102464"	600.295563	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M-H+Cl"	33.962126
"544212"	891.952813	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M-H+Cl"	33.962126
"939917"	308.638313	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-H+Cl"	33.962126
"281758"	1201.598402	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+Cl"	34.969402
"670895"	1784.912902	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+Cl"	34.969402
"1286946"	618.283902	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Cl"	34.969402
"24761"	1203.577606	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M-2H+K"	36.948606
"461040"	1786.892106	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M-2H+K"	36.948606
"836290"	620.263106	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-2H+K"	36.948606
"1569990"	620.263106	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+K-2H"	36.948606
"957519"	628.312694	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-H+HCOOH"	44.998194
"376340"	1211.627201	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+HCOOH-H"	44.998201
"356697"	1225.642851	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+Hac-H"	59.013851
"1507352"	642.328351	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Hac-H"	59.013851
"973893"	650.294651	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-H+NaCOOH"	66.980151
"124946"	618.283902	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+2Cl"	69.938804
"565070"	909.941152	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+2Cl"	69.938804
"1031435"	326.626652	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2Cl"	69.938804
"1248828"	662.233385	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Br"	78.918885
"1315650"	664.289372	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Cl+HCOOH"	80.974872
"1328771"	686.271329	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Cl+NaCOOH"	102.956829
"920923"	696.300086	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M-H+CF3COOH"	112.985586
"1300913"	732.276764	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Cl+CF3COOH"	148.962264
"1380902"	548.301824	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H-2H2O"	-35.012676
"1394384"	566.3118	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H-H2O"	-17.0027
"298209"	1167.636276	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+H"	1.007276
"690992"	1750.950776	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+H"	1.007276
"1366929"	584.321776	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H"	1.007276
"140834"	584.321776	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+2H"	2.014552
"580039"	875.979026	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+2H"	2.014552
"1052483"	292.664526	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2H"	2.014552
"219537"	389.883609333333	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+3H"	3.021828
"659386"	584.321776	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+3H"	3.021828
"1177676"	195.445442666667	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+3H"	3.021828
"437338"	1184.662823	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+NH4"	18.033823
"799426"	1767.977323	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+NH4"	18.033823
"1695028"	601.348323	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+NH4"	18.033823
"343797"	592.8350495	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+H+NH4"	19.041099
"736096"	884.4922995	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+H+NH4"	19.041099
"1482624"	301.1777995	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H+NH4"	19.041099
"404584"	1189.618218	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+Na"	22.989218
"765579"	1772.932718	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+Na"	22.989218
"1609304"	606.303718	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Na"	22.989218
"321528"	595.312747	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+H+Na"	23.996494
"709575"	886.969997	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+H+Na"	23.996494
"1462908"	303.655497	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H+Na"	23.996494
"1054088"	202.772756666667	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2H+Na"	25.00377
"1260507"	616.347986	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+CH3OH+H"	33.033486
"385641"	1205.592158	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+K"	38.963158
"744449"	1788.906658	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+K"	38.963158
"1543220"	622.277658	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+K"	38.963158
"299666"	603.299717	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+H+K"	39.970434
"697194"	894.956967	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+H+K"	39.970434
"1455390"	311.642467	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H+K"	39.970434
"241808"	1208.662826	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+ACN+H"	42.033826
"1213424"	625.348326	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+ACN+H"	42.033826
"1200588"	313.177801	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+ACN+2H"	43.041102
"198928"	1211.60016	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+2Na-H"	44.97116
"637394"	1794.91466	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+2Na-H"	44.97116
"1137619"	628.28566	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2Na-H"	44.97116
"179816"	606.303718	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+2Na"	45.978436
"625940"	897.960968	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+2Na"	45.978436
"1126166"	314.646468	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2Na"	45.978436
"1411152"	210.100070666667	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H+2Na"	46.985712
"1441809"	630.327246	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H+HCOOH"	47.012746
"232598"	611.33674	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+3H2O+2H"	56.04448
"1520661"	644.37929	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+IsoProp+H"	61.06479
"420348"	614.290688	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+Na+K"	61.952376
"783168"	905.947938	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+Na+K"	61.952376
"1677671"	322.633438	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Na+K"	61.952376
"263467"	1230.644768	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+ACN+Na"	64.015768
"1236907"	647.330268	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+ACN+Na"	64.015768
"1723969"	647.353793	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+NH4+HCOOH"	64.039293
"1188957"	217.427384666667	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+3Na"	68.967654
"1657755"	652.309188	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Na+HCOOH"	68.994688
"164618"	1243.54804	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+2K-H"	76.91904
"609283"	1826.86254	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+2K-H"	76.91904
"1094158"	660.23354	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2K-H"	76.91904
"150974"	622.277658	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"2M+2K"	77.926316
"583001"	913.934908	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"3M+2K"	77.926316
"1072860"	330.620408	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2K"	77.926316
"1103152"	662.248092	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2K+H"	78.933592
"1343552"	662.335707	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+DMSO+H"	79.021207
"1013176"	666.374876	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2ACN+H"	83.060376
"1534581"	667.368508	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+IsoProp+Na+H"	84.054008
"1003218"	333.691076	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+2ACN+2H"	84.067652
"1601972"	668.283128	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+K+HCOOH"	84.968628
"1424473"	698.314638	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+H+CF3COOH"	115.000138
"1162584"	354.204351	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+3ACN+2H"	125.094202
"1707592"	715.341185	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+NH4+CF3COOH"	132.026685
"1645429"	720.29658	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+Na+CF3COOH"	136.98208
"1576706"	736.27052	"C19989"	"Taxine B"	"C33H45NO8"	"583.3145"	"M+K+CF3COOH"	152.95602
"807071"	499.2781	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M"	0
"989357"	480.25971	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-H2O-H"	-19.01839
"76145"	331.844790666667	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M-3H"	-3.021828
"513883"	498.270824	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M-3H"	-3.021828
"888403"	165.418757333333	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-3H"	-3.021828
"10259"	498.270824	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M-2H"	-2.014552
"450915"	747.909874	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M-2H"	-2.014552
"823249"	248.631774	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-2H"	-2.014552
"84334"	997.548924	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M-H"	-1.007276
"520004"	1496.827024	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M-H"	-1.007276
"897565"	498.270824	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-H"	-1.007276
"49389"	1014.575471	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M-2H+NH4"	16.019271
"488096"	1513.853571	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M-2H+NH4"	16.019271
"865536"	515.297371	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-2H+NH4"	16.019271
"32702"	1019.530866	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M-2H+Na"	20.974666
"471691"	1518.808966	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M-2H+Na"	20.974666
"849448"	520.252766	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-2H+Na"	20.974666
"1622765"	520.252766	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Na-2H"	20.974666
"99294"	516.259163	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M-H+Cl"	33.962126
"544323"	765.898213	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M-H+Cl"	33.962126
"942582"	266.620113	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-H+Cl"	33.962126
"277489"	1033.525602	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+Cl"	34.969402
"673922"	1532.803702	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+Cl"	34.969402
"1284502"	534.247502	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Cl"	34.969402
"28151"	1035.504806	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M-2H+K"	36.948606
"465526"	1534.782906	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M-2H+K"	36.948606
"840048"	536.226706	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-2H+K"	36.948606
"1567914"	536.226706	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+K-2H"	36.948606
"956167"	544.276294	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-H+HCOOH"	44.998194
"374747"	1043.554401	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+HCOOH-H"	44.998201
"360458"	1057.570051	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+Hac-H"	59.013851
"1507830"	558.291951	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Hac-H"	59.013851
"974160"	566.258251	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-H+NaCOOH"	66.980151
"125009"	534.247502	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+2Cl"	69.938804
"563840"	783.886552	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+2Cl"	69.938804
"1027172"	284.608452	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2Cl"	69.938804
"1254403"	578.196985	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Br"	78.918885
"1312478"	580.252972	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Cl+HCOOH"	80.974872
"1325601"	602.234929	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Cl+NaCOOH"	102.956829
"914472"	612.263686	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M-H+CF3COOH"	112.985586
"1300660"	648.240364	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Cl+CF3COOH"	148.962264
"1380280"	464.265424	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H-2H2O"	-35.012676
"1393401"	482.2754	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H-H2O"	-17.0027
"297464"	999.563476	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+H"	1.007276
"689886"	1498.841576	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+H"	1.007276
"1365870"	500.285376	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H"	1.007276
"141191"	500.285376	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+2H"	2.014552
"580519"	749.924426	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+2H"	2.014552
"1052349"	250.646326	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2H"	2.014552
"219522"	333.859342666667	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+3H"	3.021828
"659901"	500.285376	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+3H"	3.021828
"1178352"	167.433309333333	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+3H"	3.021828
"439029"	1016.590023	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+NH4"	18.033823
"800146"	1515.868123	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+NH4"	18.033823
"1695870"	517.311923	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+NH4"	18.033823
"343418"	508.7986495	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+H+NH4"	19.041099
"736205"	758.4376995	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+H+NH4"	19.041099
"1486014"	259.1595995	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H+NH4"	19.041099
"405788"	1021.545418	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+Na"	22.989218
"767512"	1520.823518	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+Na"	22.989218
"1608320"	522.267318	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Na"	22.989218
"320544"	511.276347	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+H+Na"	23.996494
"711872"	760.915397	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+H+Na"	23.996494
"1465693"	261.637297	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H+Na"	23.996494
"1053835"	174.760623333333	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2H+Na"	25.00377
"1262804"	532.311586	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+CH3OH+H"	33.033486
"382471"	1037.519358	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+K"	38.963158
"744559"	1536.797458	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+K"	38.963158
"1542600"	538.241258	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+K"	38.963158
"300870"	519.263317	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+H+K"	39.970434
"697304"	768.902367	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+H+K"	39.970434
"1457687"	269.624267	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H+K"	39.970434
"241918"	1040.590026	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+ACN+H"	42.033826
"1213534"	541.311926	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+ACN+H"	42.033826
"1201791"	271.159601	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+ACN+2H"	43.041102
"197944"	1043.52736	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+2Na-H"	44.97116
"637504"	1542.80546	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+2Na-H"	44.97116
"1143197"	544.24926	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2Na-H"	44.97116
"179926"	522.267318	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+2Na"	45.978436
"626415"	771.906368	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+2Na"	45.978436
"1127006"	272.628268	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2Na"	45.978436
"1408708"	182.087937333333	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H+2Na"	46.985712
"1439731"	546.290846	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H+HCOOH"	47.012746
"232708"	527.30034	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+3H2O+2H"	56.04448
"1521499"	560.34289	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+IsoProp+H"	61.06479
"421551"	530.254288	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+Na+K"	61.952376
"784004"	779.893338	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+Na+K"	61.952376
"1675594"	280.615238	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Na+K"	61.952376
"263942"	1062.571968	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+ACN+Na"	64.015768
"1235560"	563.293868	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+ACN+Na"	64.015768
"1723350"	563.317393	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+NH4+HCOOH"	64.039293
"1187974"	189.415251333333	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+3Na"	68.967654
"1658958"	568.272788	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Na+HCOOH"	68.994688
"165821"	1075.47524	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+2K-H"	76.91904
"609028"	1574.75334	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+2K-H"	76.91904
"1094268"	576.19714	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2K-H"	76.91904
"147804"	538.241258	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"2M+2K"	77.926316
"587364"	787.880308	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"3M+2K"	77.926316
"1071877"	288.602208	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2K"	77.926316
"1101805"	578.211692	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2K+H"	78.933592
"1344755"	578.299307	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+DMSO+H"	79.021207
"1016566"	582.338476	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2ACN+H"	83.060376
"1534691"	583.332108	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+IsoProp+Na+H"	84.054008
"1002234"	291.672876	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+2ACN+2H"	84.067652
"1602082"	584.246728	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+K+HCOOH"	84.968628
"1422396"	614.278238	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+H+CF3COOH"	115.000138
"1162610"	312.186151	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+3ACN+2H"	125.094202
"1709889"	631.304785	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+NH4+CF3COOH"	132.026685
"1645539"	636.26018	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+Na+CF3COOH"	136.98208
"1576816"	652.23412	"C19990"	"Aconine;Jesaconine"	"C25H41NO9"	"499.2781"	"M+K+CF3COOH"	152.95602
"807181"	584.2985	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M"	0
"989106"	565.28011	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-H2O-H"	-19.01839
"75529"	388.525057333333	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M-3H"	-3.021828
"513994"	583.291224	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M-3H"	-3.021828
"891795"	193.758890666667	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-3H"	-3.021828
"5998"	583.291224	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M-2H"	-2.014552
"446652"	875.440474	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M-2H"	-2.014552
"823359"	291.141974	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-2H"	-2.014552
"82257"	1167.589724	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M-H"	-1.007276
"521816"	1751.888224	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M-H"	-1.007276
"897798"	583.291224	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-H"	-1.007276
"55093"	1184.616271	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M-2H+NH4"	16.019271
"492464"	1768.914771	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M-2H+NH4"	16.019271
"866012"	600.317771	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-2H+NH4"	16.019271
"35980"	1189.571666	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M-2H+Na"	20.974666
"481008"	1773.870166	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M-2H+Na"	20.974666
"855529"	605.273166	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-2H+Na"	20.974666
"1628343"	605.273166	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Na-2H"	20.974666
"102684"	601.279563	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M-H+Cl"	33.962126
"541153"	893.428813	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M-H+Cl"	33.962126
"941229"	309.130313	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-H+Cl"	33.962126
"280759"	1203.566402	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+Cl"	34.969402
"671117"	1787.864902	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+Cl"	34.969402
"1284613"	619.267902	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Cl"	34.969402
"26077"	1205.545606	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M-2H+K"	36.948606
"467822"	1789.844106	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M-2H+K"	36.948606
"839064"	621.247106	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-2H+K"	36.948606
"1568024"	621.247106	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+K-2H"	36.948606
"956641"	629.296694	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-H+HCOOH"	44.998194
"376316"	1213.595201	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+HCOOH-H"	44.998201
"361057"	1227.610851	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+Hac-H"	59.013851
"1508064"	643.312351	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Hac-H"	59.013851
"974141"	651.278651	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-H+NaCOOH"	66.980151
"125328"	619.267902	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+2Cl"	69.938804
"565633"	911.417152	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+2Cl"	69.938804
"1032750"	327.118652	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2Cl"	69.938804
"1251233"	663.217385	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Br"	78.918885
"1312588"	665.273372	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Cl+HCOOH"	80.974872
"1323524"	687.255329	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Cl+NaCOOH"	102.956829
"917862"	697.284086	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M-H+CF3COOH"	112.985586
"1303645"	733.260764	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Cl+CF3COOH"	148.962264
"1381483"	549.285824	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H-2H2O"	-35.012676
"1393511"	567.2958	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H-H2O"	-17.0027
"297575"	1169.604276	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+H"	1.007276
"691091"	1753.902776	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+H"	1.007276
"1366553"	585.305776	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H"	1.007276
"141022"	585.305776	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+2H"	2.014552
"580263"	877.455026	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+2H"	2.014552
"1052336"	293.156526	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2H"	2.014552
"218785"	390.539609333333	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+3H"	3.021828
"659279"	585.305776	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+3H"	3.021828
"1177686"	195.773442666667	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+3H"	3.021828
"439669"	1186.630823	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+NH4"	18.033823
"801272"	1770.929323	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+NH4"	18.033823
"1696832"	602.332323	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+NH4"	18.033823
"344985"	593.8190495	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+H+NH4"	19.041099
"737775"	885.9682995	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+H+NH4"	19.041099
"1491960"	301.6697995	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H+NH4"	19.041099
"406991"	1191.586218	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+Na"	22.989218
"769080"	1775.884718	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+Na"	22.989218
"1612805"	607.287718	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Na"	22.989218
"321749"	596.296747	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+H+Na"	23.996494
"710892"	888.445997	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+H+Na"	23.996494
"1466897"	304.147497	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H+Na"	23.996494
"1056862"	203.100756666667	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2H+Na"	25.00377
"1265100"	617.331986	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+CH3OH+H"	33.033486
"382581"	1207.560158	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+K"	38.963158
"744669"	1791.858658	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+K"	38.963158
"1544531"	623.261658	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+K"	38.963158
"301344"	604.283717	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+H+K"	39.970434
"692187"	896.432967	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+H+K"	39.970434
"1454517"	312.134467	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H+K"	39.970434
"245309"	1210.630826	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+ACN+H"	42.033826
"1214008"	626.332326	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+ACN+H"	42.033826
"1200808"	313.669801	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+ACN+2H"	43.041102
"200241"	1213.56816	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+2Na-H"	44.97116
"638708"	1797.86666	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+2Na-H"	44.97116
"1143307"	629.26966	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2Na-H"	44.97116
"186597"	607.287718	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+2Na"	45.978436
"627251"	899.436968	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+2Na"	45.978436
"1128571"	315.138468	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2Na"	45.978436
"1411007"	210.428070666667	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H+2Na"	46.985712
"1442031"	631.311246	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H+HCOOH"	47.012746
"231725"	612.32074	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+3H2O+2H"	56.04448
"1522946"	645.36329	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+IsoProp+H"	61.06479
"423001"	615.274688	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+Na+K"	61.952376
"784481"	907.423938	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+Na+K"	61.952376
"1678263"	323.125438	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Na+K"	61.952376
"264781"	1232.612768	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+ACN+Na"	64.015768
"1237856"	648.314268	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+ACN+Na"	64.015768
"1722731"	648.337793	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+NH4+HCOOH"	64.039293
"1188083"	217.755384666667	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+3Na"	68.967654
"1659068"	653.293188	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Na+HCOOH"	68.994688
"165931"	1245.51604	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+2K-H"	76.91904
"609866"	1829.81454	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+2K-H"	76.91904
"1091099"	661.21754	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2K-H"	76.91904
"151195"	623.261658	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"2M+2K"	77.926316
"587474"	915.410908	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"3M+2K"	77.926316
"1074173"	331.112408	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2K"	77.926316
"1100939"	663.232092	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2K+H"	78.933592
"1349364"	663.319707	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+DMSO+H"	79.021207
"1020325"	667.358876	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2ACN+H"	83.060376
"1538813"	668.352508	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+IsoProp+Na+H"	84.054008
"1005022"	334.183076	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+2ACN+2H"	84.067652
"1601952"	669.267128	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+K+HCOOH"	84.968628
"1429748"	699.298638	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+H+CF3COOH"	115.000138
"1161420"	354.696351	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+3ACN+2H"	125.094202
"1712558"	716.325185	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+NH4+CF3COOH"	132.026685
"1642370"	721.28058	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+Na+CF3COOH"	136.98208
"1586768"	737.25452	"C19991"	"Euphornin"	"C33H44O9"	"584.2985"	"M+K+CF3COOH"	152.95602
"808384"	452.241	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M"	0
"978638"	433.22261	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-H2O-H"	-19.01839
"74539"	300.486724	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M-3H"	-3.021828
"516289"	451.233724	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M-3H"	-3.021828
"886436"	149.739724	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-3H"	-3.021828
"9384"	451.233724	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M-2H"	-2.014552
"444934"	677.354224	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M-2H"	-2.014552
"824560"	225.113224	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-2H"	-2.014552
"86741"	903.474724	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M-H"	-1.007276
"519738"	1355.715724	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M-H"	-1.007276
"897904"	451.233724	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-H"	-1.007276
"51558"	920.501271	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M-2H+NH4"	16.019271
"492574"	1372.742271	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M-2H+NH4"	16.019271
"867096"	468.260271	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-2H+NH4"	16.019271
"40464"	925.456666	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M-2H+Na"	20.974666
"481118"	1377.697666	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M-2H+Na"	20.974666
"855639"	473.215666	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-2H+Na"	20.974666
"1628453"	473.215666	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Na-2H"	20.974666
"102794"	469.222063	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M-H+Cl"	33.962126
"541263"	695.342563	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M-H+Cl"	33.962126
"939153"	243.101563	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-H+Cl"	33.962126
"277710"	939.451402	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+Cl"	34.969402
"673414"	1391.692402	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+Cl"	34.969402
"1284723"	487.210402	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Cl"	34.969402
"27280"	941.430606	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M-2H+K"	36.948606
"465746"	1393.671606	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M-2H+K"	36.948606
"836988"	489.189606	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-2H+K"	36.948606
"1569227"	489.189606	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+K-2H"	36.948606
"956751"	497.239194	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-H+HCOOH"	44.998194
"376386"	949.480201	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+HCOOH-H"	44.998201
"361395"	963.495851	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+Hac-H"	59.013851
"1508441"	511.254851	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Hac-H"	59.013851
"973945"	519.221151	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-H+NaCOOH"	66.980151
"125700"	487.210402	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+2Cl"	69.938804
"565652"	713.330902	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+2Cl"	69.938804
"1036140"	261.089902	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2Cl"	69.938804
"1251343"	531.159885	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Br"	78.918885
"1312698"	533.215872	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Cl+HCOOH"	80.974872
"1323633"	555.197829	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Cl+NaCOOH"	102.956829
"915420"	565.226586	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M-H+CF3COOH"	112.985586
"1303795"	601.203264	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Cl+CF3COOH"	148.962264
"1382607"	417.228324	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H-2H2O"	-35.012676
"1395808"	435.2383	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H-H2O"	-17.0027
"298174"	905.489276	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+H"	1.007276
"690835"	1357.730276	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+H"	1.007276
"1366702"	453.248276	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H"	1.007276
"141337"	453.248276	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+2H"	2.014552
"580738"	679.368776	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+2H"	2.014552
"1052651"	227.127776	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2H"	2.014552
"219702"	302.501276	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+3H"	3.021828
"659908"	453.248276	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+3H"	3.021828
"1178270"	151.754276	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+3H"	3.021828
"439578"	922.515823	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+NH4"	18.033823
"800734"	1374.756823	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+NH4"	18.033823
"1696660"	470.274823	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+NH4"	18.033823
"345095"	461.7615495	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+H+NH4"	19.041099
"738048"	687.8820495	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+H+NH4"	19.041099
"1491584"	235.6410495	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H+NH4"	19.041099
"407102"	927.471218	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+Na"	22.989218
"768826"	1379.712218	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+Na"	22.989218
"1612916"	475.230218	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Na"	22.989218
"318579"	464.239247	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+H+Na"	23.996494
"711002"	690.359747	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+H+Na"	23.996494
"1465914"	238.118747	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H+Na"	23.996494
"1057336"	159.08159	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2H+Na"	25.00377
"1261202"	485.274486	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+CH3OH+H"	33.033486
"384878"	943.445158	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+K"	38.963158
"741499"	1395.686158	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+K"	38.963158
"1542820"	491.204158	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+K"	38.963158
"299267"	472.226217	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+H+K"	39.970434
"692540"	698.346717	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+H+K"	39.970434
"1455721"	246.105717	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H+K"	39.970434
"245419"	946.515826	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+ACN+H"	42.033826
"1217398"	494.274826	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+ACN+H"	42.033826
"1200918"	247.641051	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+ACN+2H"	43.041102
"203389"	949.45316	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+2Na-H"	44.97116
"641005"	1401.69416	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+2Na-H"	44.97116
"1140137"	497.21216	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2Na-H"	44.97116
"186707"	475.230218	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+2Na"	45.978436
"625176"	701.350718	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+2Na"	45.978436
"1130870"	249.109718	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2Na"	45.978436
"1410023"	166.408904	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H+2Na"	46.985712
"1441046"	499.253746	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H+HCOOH"	47.012746
"231835"	480.26324	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+3H2O+2H"	56.04448
"1522084"	513.30579	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+IsoProp+H"	61.06479
"422864"	483.217188	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+Na+K"	61.952376
"785198"	709.337688	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+Na+K"	61.952376
"1680558"	257.096688	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Na+K"	61.952376
"265620"	968.497768	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+ACN+Na"	64.015768
"1237237"	516.256768	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+ACN+Na"	64.015768
"1722841"	516.280293	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+NH4+HCOOH"	64.039293
"1189287"	173.736218	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+3Na"	68.967654
"1660272"	521.235688	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Na+HCOOH"	68.994688
"167135"	981.40104	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+2K-H"	76.91904
"610705"	1433.64204	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+2K-H"	76.91904
"1093396"	529.16004	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2K-H"	76.91904
"153128"	491.204158	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"2M+2K"	77.926316
"586491"	717.324658	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"3M+2K"	77.926316
"1072097"	265.083658	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2K"	77.926316
"1101048"	531.174592	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2K+H"	78.933592
"1350815"	531.262207	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+DMSO+H"	79.021207
"1021051"	535.301376	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2ACN+H"	83.060376
"1539166"	536.295008	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+IsoProp+Na+H"	84.054008
"1005337"	268.154326	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+2ACN+2H"	84.067652
"1602635"	537.209628	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+K+HCOOH"	84.968628
"1429806"	567.241138	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+H+CF3COOH"	115.000138
"1162138"	288.667601	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+3ACN+2H"	125.094202
"1712697"	584.267685	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+NH4+CF3COOH"	132.026685
"1645760"	589.22308	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+Na+CF3COOH"	136.98208
"1586878"	605.19702	"C19992"	"Rhodojaponin I;Grayanotoxane-56101416-pentol 23-epoxy- 614-diacetate (2beta3beta6beta14R)-"	"C24H36O8"	"452.241"	"M+K+CF3COOH"	152.95602
"807401"	260.1776	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M"	0
"978748"	241.15921	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-H2O-H"	-19.01839
"74649"	172.444457333333	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M-3H"	-3.021828
"513120"	259.170324	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M-3H"	-3.021828
"886546"	85.7185906666667	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-3H"	-3.021828
"6214"	259.170324	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M-2H"	-2.014552
"443587"	389.259124	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M-2H"	-2.014552
"824670"	129.081524	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-2H"	-2.014552
"87943"	519.347924	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M-H"	-1.007276
"524222"	779.525524	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M-H"	-1.007276
"902024"	259.170324	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-H"	-1.007276
"48747"	536.374471	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M-2H+NH4"	16.019271
"490497"	796.552071	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M-2H+NH4"	16.019271
"867205"	276.196871	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-2H+NH4"	16.019271
"40574"	541.329866	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M-2H+Na"	20.974666
"477948"	801.507466	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M-2H+Na"	20.974666
"851374"	281.152266	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-2H+Na"	20.974666
"1626376"	281.152266	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Na-2H"	20.974666
"96344"	277.158663	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M-H+Cl"	33.962126
"535175"	407.247463	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M-H+Cl"	33.962126
"933795"	147.069863	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-H+Cl"	33.962126
"275630"	555.324602	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+Cl"	34.969402
"664773"	815.502202	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+Cl"	34.969402
"1276078"	295.147002	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Cl"	34.969402
"27390"	557.303806	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M-2H+K"	36.948606
"462577"	817.481406	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M-2H+K"	36.948606
"837098"	297.126206	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-2H+K"	36.948606
"1569336"	297.126206	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+K-2H"	36.948606
"951753"	305.175794	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-H+HCOOH"	44.998194
"373249"	565.353401	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+HCOOH-H"	44.998201
"361388"	579.369051	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+Hac-H"	59.013851
"1508332"	319.191451	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Hac-H"	59.013851
"974206"	327.157751	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-H+NaCOOH"	66.980151
"125425"	295.147002	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+2Cl"	69.938804
"565598"	425.235802	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+2Cl"	69.938804
"1032970"	165.058202	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2Cl"	69.938804
"1252547"	339.096485	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Br"	78.918885
"1312808"	341.152472	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Cl+HCOOH"	80.974872
"1322651"	363.134429	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Cl+NaCOOH"	102.956829
"915895"	373.163186	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M-H+CF3COOH"	112.985586
"1302083"	409.139864	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Cl+CF3COOH"	148.962264
"1380610"	225.164924	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H-2H2O"	-35.012676
"1395918"	243.1749	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H-H2O"	-17.0027
"297434"	521.362476	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+H"	1.007276
"690705"	781.540076	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+H"	1.007276
"1366743"	261.184876	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H"	1.007276
"141036"	261.184876	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+2H"	2.014552
"581123"	391.273676	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+2H"	2.014552
"1051093"	131.096076	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2H"	2.014552
"219362"	174.459009333333	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+3H"	3.021828
"657096"	261.184876	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+3H"	3.021828
"1177781"	87.7331426666667	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+3H"	3.021828
"438146"	538.389023	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+NH4"	18.033823
"798411"	798.566623	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+NH4"	18.033823
"1695469"	278.211423	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+NH4"	18.033823
"344477"	269.6981495	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+H+NH4"	19.041099
"737506"	399.7869495	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+H+NH4"	19.041099
"1490357"	139.6093495	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H+NH4"	19.041099
"404659"	543.344418	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+Na"	22.989218
"766748"	803.522018	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+Na"	22.989218
"1613026"	283.166818	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Na"	22.989218
"315164"	272.175847	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+H+Na"	23.996494
"711476"	402.264647	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+H+Na"	23.996494
"1464201"	142.087047	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H+Na"	23.996494
"1060363"	95.0604566666667	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2H+Na"	25.00377
"1265319"	293.211086	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+CH3OH+H"	33.033486
"379521"	559.318358	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+K"	38.963158
"741609"	819.495958	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+K"	38.963158
"1540741"	299.140758	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+K"	38.963158
"298886"	280.162817	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+H+K"	39.970434
"693622"	410.251617	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+H+K"	39.970434
"1455830"	150.074017	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H+K"	39.970434
"246258"	562.389026	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+ACN+H"	42.033826
"1214592"	302.211426	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+ACN+H"	42.033826
"1199569"	151.609351	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+ACN+2H"	43.041102
"203624"	565.32636	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+2Na-H"	44.97116
"637835"	825.50396	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+2Na-H"	44.97116
"1140247"	305.14876	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2Na-H"	44.97116
"186817"	283.166818	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+2Na"	45.978436
"625285"	413.255618	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+2Na"	45.978436
"1128794"	153.078018	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2Na"	45.978436
"1409042"	102.387770666667	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H+2Na"	46.985712
"1440062"	307.190346	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H+HCOOH"	47.012746
"230852"	288.19984	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+3H2O+2H"	56.04448
"1521831"	321.24239	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+IsoProp+H"	61.06479
"423583"	291.153788	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+Na+K"	61.952376
"785307"	421.242588	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+Na+K"	61.952376
"1680666"	161.064988	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Na+K"	61.952376
"265365"	584.370968	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+ACN+Na"	64.015768
"1240910"	324.193368	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+ACN+Na"	64.015768
"1725137"	324.216893	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+NH4+HCOOH"	64.039293
"1188303"	109.715084666667	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+3Na"	68.967654
"1660381"	329.172288	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Na+HCOOH"	68.994688
"167245"	597.27424	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+2K-H"	76.91904
"608993"	857.45184	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+2K-H"	76.91904
"1092413"	337.09664	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2K-H"	76.91904
"152509"	299.140758	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"2M+2K"	77.926316
"585508"	429.229558	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"3M+2K"	77.926316
"1072207"	169.051958	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2K"	77.926316
"1100674"	339.111192	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2K+H"	78.933592
"1351295"	339.198807	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+DMSO+H"	79.021207
"1021267"	343.237976	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2ACN+H"	83.060376
"1539155"	344.231608	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+IsoProp+Na+H"	84.054008
"1005569"	172.122626	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+2ACN+2H"	84.067652
"1602588"	345.146228	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+K+HCOOH"	84.968628
"1429531"	375.177738	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+H+CF3COOH"	115.000138
"1161761"	192.635901	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+3ACN+2H"	125.094202
"1712701"	392.204285	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+NH4+CF3COOH"	132.026685
"1645870"	397.15968	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+Na+CF3COOH"	136.98208
"1586988"	413.13362	"C19993"	"Virol A;(8E10E12S)-810-Heptadecadiene-46-diyne-112-diol"	"C17H24O2"	"260.1776"	"M+K+CF3COOH"	152.95602
"807511"	262.1933	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M"	0
"978858"	243.17491	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-H2O-H"	-19.01839
"75852"	173.788257333333	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M-3H"	-3.021828
"508851"	261.186024	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M-3H"	-3.021828
"886656"	86.3904906666667	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-3H"	-3.021828
"7417"	261.186024	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M-2H"	-2.014552
"441508"	392.282674	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M-2H"	-2.014552
"824780"	130.089374	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-2H"	-2.014552
"84773"	523.379324	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M-H"	-1.007276
"525425"	785.572624	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M-H"	-1.007276
"901040"	261.186024	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-H"	-1.007276
"47760"	540.405871	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M-2H+NH4"	16.019271
"490605"	802.599171	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M-2H+NH4"	16.019271
"866220"	278.212571	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-2H+NH4"	16.019271
"37404"	545.361266	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M-2H+Na"	20.974666
"478058"	807.554566	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M-2H+Na"	20.974666
"852576"	283.167966	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-2H+Na"	20.974666
"1626486"	283.167966	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Na-2H"	20.974666
"96816"	279.174363	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M-H+Cl"	33.962126
"536012"	410.271013	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M-H+Cl"	33.962126
"930625"	148.077713	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-H+Cl"	33.962126
"271731"	559.356002	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+Cl"	34.969402
"664151"	821.549302	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+Cl"	34.969402
"1275095"	297.162702	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Cl"	34.969402
"16065"	561.335206	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M-2H+K"	36.948606
"460499"	823.528506	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M-2H+K"	36.948606
"834292"	299.141906	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-2H+K"	36.948606
"1557409"	299.141906	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+K-2H"	36.948606
"948582"	307.191494	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-H+HCOOH"	44.998194
"367890"	569.384801	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+HCOOH-H"	44.998201
"353964"	583.400451	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+Hac-H"	59.013851
"1507175"	321.207151	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Hac-H"	59.013851
"971069"	329.173451	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-H+NaCOOH"	66.980151
"125080"	297.162702	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+2Cl"	69.938804
"565502"	428.259352	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+2Cl"	69.938804
"1026519"	166.066052	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2Cl"	69.938804
"1246097"	341.112185	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Br"	78.918885
"1312918"	343.168172	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Cl+HCOOH"	80.974872
"1333695"	365.150129	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Cl+NaCOOH"	102.956829
"918191"	375.178886	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M-H+CF3COOH"	112.985586
"1298184"	411.155564	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Cl+CF3COOH"	148.962264
"1371969"	227.180624	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H-2H2O"	-35.012676
"1395664"	245.1906	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H-H2O"	-17.0027
"294621"	525.393876	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+H"	1.007276
"687041"	787.587176	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+H"	1.007276
"1364119"	263.200576	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H"	1.007276
"135185"	263.200576	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+2H"	2.014552
"579120"	394.297226	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+2H"	2.014552
"1052177"	132.103926	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2H"	2.014552
"219804"	175.802809333333	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+3H"	3.021828
"659032"	263.200576	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+3H"	3.021828
"1176426"	88.4050426666667	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+3H"	3.021828
"439225"	542.420423	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+NH4"	18.033823
"799615"	804.613723	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+NH4"	18.033823
"1695944"	280.227123	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+NH4"	18.033823
"343855"	271.7138495	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+H+NH4"	19.041099
"737009"	402.8104995	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+H+NH4"	19.041099
"1490099"	140.6171995	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H+NH4"	19.041099
"406955"	547.375818	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+Na"	22.989218
"765035"	809.569118	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+Na"	22.989218
"1613864"	285.182518	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Na"	22.989218
"322078"	274.191547	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+H+Na"	23.996494
"709032"	405.288197	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+H+Na"	23.996494
"1463217"	143.094897	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H+Na"	23.996494
"1059377"	95.7323566666667	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2H+Na"	25.00377
"1264334"	295.226786	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+CH3OH+H"	33.033486
"384001"	563.349758	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+K"	38.963158
"746090"	825.543058	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+K"	38.963158
"1540607"	301.156458	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+K"	38.963158
"300092"	282.178517	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+H+K"	39.970434
"693002"	413.275167	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+H+K"	39.970434
"1451565"	151.081867	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H+K"	39.970434
"236108"	566.420426	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+ACN+H"	42.033826
"1211052"	304.227126	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+ACN+H"	42.033826
"1197124"	152.617201	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+ACN+2H"	43.041102
"193643"	569.35776	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+2Na-H"	44.97116
"635757"	831.55106	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+2Na-H"	44.97116
"1140356"	307.16446	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2Na-H"	44.97116
"181458"	285.182518	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+2Na"	45.978436
"625392"	416.279168	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+2Na"	45.978436
"1125989"	154.085868	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2Na"	45.978436
"1408783"	103.059670666667	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H+2Na"	46.985712
"1438350"	309.206046	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H+HCOOH"	47.012746
"226588"	290.21554	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+3H2O+2H"	56.04448
"1513556"	323.25809	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+IsoProp+H"	61.06479
"414334"	293.169488	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+Na+K"	61.952376
"779704"	424.266138	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+Na+K"	61.952376
"1672755"	162.072838	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Na+K"	61.952376
"255993"	588.402368	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+ACN+Na"	64.015768
"1234171"	326.209068	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+ACN+Na"	64.015768
"1721600"	326.232593	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+NH4+HCOOH"	64.039293
"1186225"	110.386984666667	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+3Na"	68.967654
"1655022"	331.187988	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Na+HCOOH"	68.994688
"159697"	601.30564	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+2K-H"	76.91904
"599259"	863.49894	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+2K-H"	76.91904
"1088146"	339.11234	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2K-H"	76.91904
"144963"	301.156458	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"2M+2K"	77.926316
"581965"	432.253108	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"3M+2K"	77.926316
"1068739"	170.059808	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2K"	77.926316
"1100785"	341.126892	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2K+H"	78.933592
"1344100"	341.214507	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+DMSO+H"	79.021207
"1014817"	345.253676	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2ACN+H"	83.060376
"1528568"	346.247308	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+IsoProp+Na+H"	84.054008
"1001579"	173.130476	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+2ACN+2H"	84.067652
"1598269"	347.161928	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+K+HCOOH"	84.968628
"1425022"	377.193438	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+H+CF3COOH"	115.000138
"1158588"	193.643751	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+3ACN+2H"	125.094202
"1708140"	394.219985	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+NH4+CF3COOH"	132.026685
"1639418"	399.17538	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+Na+CF3COOH"	136.98208
"1572152"	415.14932	"C19994"	"Virol B;(8S9Z)-9-Heptadecene-46-diyne-18-diol"	"C17H26O2"	"262.1933"	"M+K+CF3COOH"	152.95602
"807621"	1037.5658	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M"	0
"978968"	1018.54741	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-H2O-H"	-19.01839
"75962"	690.703257333333	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M-3H"	-3.021828
"510055"	1036.558524	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M-3H"	-3.021828
"888953"	344.847990666667	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-3H"	-3.021828
"7527"	1036.558524	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M-2H"	-2.014552
"440526"	1555.341424	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M-2H"	-2.014552
"827077"	517.775624	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-2H"	-2.014552
"87069"	2074.124324	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M-H"	-1.007276
"526630"	3111.690124	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M-H"	-1.007276
"906618"	1036.558524	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-H"	-1.007276
"52245"	2091.150871	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M-2H+NH4"	16.019271
"493266"	3128.716671	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M-2H+NH4"	16.019271
"867422"	1053.585071	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-2H+NH4"	16.019271
"36053"	2096.106266	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M-2H+Na"	20.974666
"476344"	3133.672066	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M-2H+Na"	20.974666
"852686"	1058.540466	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-2H+Na"	20.974666
"1624408"	1058.540466	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Na-2H"	20.974666
"97654"	1054.546863	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M-H+Cl"	33.962126
"536122"	1573.329763	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M-H+Cl"	33.962126
"930735"	535.763963	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-H+Cl"	33.962126
"272205"	2110.101002	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+Cl"	34.969402
"666447"	3147.666802	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+Cl"	34.969402
"1273746"	1072.535202	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Cl"	34.969402
"18853"	2112.080206	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M-2H+K"	36.948606
"459513"	3149.646006	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M-2H+K"	36.948606
"835853"	1074.514406	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-2H+K"	36.948606
"1558246"	1074.514406	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+K-2H"	36.948606
"945412"	1082.563994	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-H+HCOOH"	44.998194
"368000"	2120.129801	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+HCOOH-H"	44.998201
"359545"	2134.145451	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+Hac-H"	59.013851
"1506193"	1096.579651	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Hac-H"	59.013851
"971908"	1104.545951	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-H+NaCOOH"	66.980151
"123735"	1072.535202	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+2Cl"	69.938804
"565530"	1591.318102	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+2Cl"	69.938804
"1026630"	553.752302	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2Cl"	69.938804
"1247301"	1116.484685	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Br"	78.918885
"1313028"	1118.540672	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Cl+HCOOH"	80.974872
"1333078"	1140.522629	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Cl+NaCOOH"	102.956829
"918301"	1150.551386	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M-H+CF3COOH"	112.985586
"1295013"	1186.528064	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Cl+CF3COOH"	148.962264
"1368919"	1002.553124	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H-2H2O"	-35.012676
"1388483"	1020.5631	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H-H2O"	-17.0027
"293637"	2076.138876	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+H"	1.007276
"684964"	3113.704676	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+H"	1.007276
"1359126"	1038.573076	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H"	1.007276
"136388"	1038.573076	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+2H"	2.014552
"579594"	1557.355976	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+2H"	2.014552
"1050952"	519.790176	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2H"	2.014552
"218489"	692.717809333333	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+3H"	3.021828
"659020"	1038.573076	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+3H"	3.021828
"1174350"	346.862542666667	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+3H"	3.021828
"439535"	2093.165423	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+NH4"	18.033823
"799360"	3130.731223	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+NH4"	18.033823
"1694961"	1055.599623	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+NH4"	18.033823
"344937"	1047.0863495	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+H+NH4"	19.041099
"734929"	1565.8692495	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+H+NH4"	19.041099
"1491300"	528.3034495	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H+NH4"	19.041099
"403056"	2098.120818	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+Na"	22.989218
"765874"	3135.686618	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+Na"	22.989218
"1613245"	1060.555018	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Na"	22.989218
"325106"	1049.564047	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+H+Na"	23.996494
"708170"	1568.346947	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+H+Na"	23.996494
"1461990"	530.781147	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H+Na"	23.996494
"1057301"	354.189856666667	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2H+Na"	25.00377
"1261164"	1070.599286	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+CH3OH+H"	33.033486
"383018"	2114.094758	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+K"	38.963158
"745106"	3151.660558	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+K"	38.963158
"1540716"	1076.528958	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+K"	38.963158
"300203"	1057.551017	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+H+K"	39.970434
"693477"	1576.333917	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+H+K"	39.970434
"1447298"	538.768117	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H+K"	39.970434
"237725"	2117.165426	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+ACN+H"	42.033826
"1210674"	1079.599626	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+ACN+H"	42.033826
"1195167"	540.303451	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+ACN+2H"	43.041102
"193753"	2120.10276	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+2Na-H"	44.97116
"635868"	3157.66856	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+2Na-H"	44.97116
"1138644"	1082.53696	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2Na-H"	44.97116
"180475"	1060.555018	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+2Na"	45.978436
"622222"	1579.337918	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+2Na"	45.978436
"1125370"	541.772118	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2Na"	45.978436
"1408530"	361.517170666667	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H+2Na"	46.985712
"1437731"	1084.578546	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H+HCOOH"	47.012746
"225604"	1065.58804	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+3H2O+2H"	56.04448
"1516580"	1098.63059	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+IsoProp+H"	61.06479
"415174"	1068.541988	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+Na+K"	61.952376
"776535"	1587.324888	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+Na+K"	61.952376
"1673958"	549.759088	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Na+K"	61.952376
"256831"	2139.147368	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+ACN+Na"	64.015768
"1230635"	1101.581568	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+ACN+Na"	64.015768
"1716971"	1101.605093	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+NH4+HCOOH"	64.039293
"1181593"	368.844484666667	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+3Na"	68.967654
"1651850"	1106.560488	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Na+HCOOH"	68.994688
"157407"	2152.05064	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+2K-H"	76.91904
"597657"	3189.61644	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+2K-H"	76.91904
"1088256"	1114.48484	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2K-H"	76.91904
"143007"	1076.528958	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"2M+2K"	77.926316
"581830"	1595.311858	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"3M+2K"	77.926316
"1069131"	557.746058	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2K"	77.926316
"1101503"	1116.499392	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2K+H"	78.933592
"1344210"	1116.587007	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+DMSO+H"	79.021207
"1012740"	1120.626176	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2ACN+H"	83.060376
"1526491"	1121.619808	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+IsoProp+Na+H"	84.054008
"998409"	560.816726	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+2ACN+2H"	84.067652
"1591818"	1122.534428	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+K+HCOOH"	84.968628
"1422945"	1152.565938	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+H+CF3COOH"	115.000138
"1157604"	581.330001	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+3ACN+2H"	125.094202
"1708250"	1169.592485	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+NH4+CF3COOH"	132.026685
"1639528"	1174.54788	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+Na+CF3COOH"	136.98208
"1572019"	1190.52182	"C19995"	"Microcystin RR"	"C49H75N13O12"	"1037.5658"	"M+K+CF3COOH"	152.95602
"807731"	952.5018	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M"	0
"978349"	933.48341	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-H2O-H"	-19.01839
"74979"	633.993924	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M-3H"	-3.021828
"507978"	951.494524	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M-3H"	-3.021828
"892342"	316.493324	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-3H"	-3.021828
"9823"	951.494524	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M-2H"	-2.014552
"440999"	1427.745424	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M-2H"	-2.014552
"820625"	475.243624	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-2H"	-2.014552
"84992"	1903.996324	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M-H"	-1.007276
"526739"	2856.498124	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M-H"	-1.007276
"906727"	951.494524	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-H"	-1.007276
"52354"	1921.022871	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M-2H+NH4"	16.019271
"488877"	2873.524671	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M-2H+NH4"	16.019271
"867653"	968.521071	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-2H+NH4"	16.019271
"34706"	1925.978266	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M-2H+Na"	20.974666
"476090"	2878.480066	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M-2H+Na"	20.974666
"852067"	973.476466	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-2H+Na"	20.974666
"1623425"	973.476466	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Na-2H"	20.974666
"98129"	969.482863	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M-H+Cl"	33.962126
"537324"	1445.733763	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M-H+Cl"	33.962126
"931209"	493.231963	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-H+Cl"	33.962126
"272315"	1939.973002	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+Cl"	34.969402
"665829"	2892.474802	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+Cl"	34.969402
"1274584"	987.471202	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Cl"	34.969402
"17141"	1941.952206	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M-2H+K"	36.948606
"459987"	2894.454006	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M-2H+K"	36.948606
"834507"	989.450406	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-2H+K"	36.948606
"1557628"	989.450406	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+K-2H"	36.948606
"944428"	997.499994	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-H+HCOOH"	44.998194
"362643"	1950.001801	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+HCOOH-H"	44.998201
"359291"	1964.017451	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+Hac-H"	59.013851
"1508002"	1011.515651	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Hac-H"	59.013851
"973113"	1019.481951	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-H+NaCOOH"	66.980151
"124815"	987.471202	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+2Cl"	69.938804
"565394"	1463.722102	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+2Cl"	69.938804
"1024553"	511.220302	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2Cl"	69.938804
"1247411"	1031.420685	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Br"	78.918885
"1313138"	1033.476672	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Cl+HCOOH"	80.974872
"1332820"	1055.458629	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Cl+NaCOOH"	102.956829
"918411"	1065.487386	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M-H+CF3COOH"	112.985586
"1295122"	1101.464064	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Cl+CF3COOH"	148.962264
"1371094"	917.489124	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H-2H2O"	-35.012676
"1387499"	935.4991	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H-H2O"	-17.0027
"294476"	1906.010876	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+H"	1.007276
"686897"	2858.512676	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+H"	1.007276
"1362516"	953.509076	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H"	1.007276
"136498"	953.509076	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+2H"	2.014552
"581347"	1429.759976	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+2H"	2.014552
"1051422"	477.258176	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2H"	2.014552
"219889"	636.008476	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+3H"	3.021828
"659821"	953.509076	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+3H"	3.021828
"1174459"	318.507876	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+3H"	3.021828
"439953"	1923.037423	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+NH4"	18.033823
"799100"	2875.539223	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+NH4"	18.033823
"1696162"	970.535623	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+NH4"	18.033823
"345409"	962.0223495	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+H+NH4"	19.041099
"735768"	1438.2732495	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+H+NH4"	19.041099
"1491774"	485.7714495	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H+NH4"	19.041099
"406446"	1927.992818	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+Na"	22.989218
"766348"	2880.494618	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+Na"	22.989218
"1615539"	975.491018	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Na"	22.989218
"325579"	964.500047	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+H+Na"	23.996494
"710346"	1440.750947	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+H+Na"	23.996494
"1462705"	488.249147	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H+Na"	23.996494
"1057411"	325.83519	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2H+Na"	25.00377
"1264553"	985.535286	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+CH3OH+H"	33.033486
"387502"	1943.966758	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+K"	38.963158
"744123"	2896.468558	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+K"	38.963158
"1547270"	991.464958	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+K"	38.963158
"299463"	972.487017	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+H+K"	39.970434
"693587"	1448.737917	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+H+K"	39.970434
"1447408"	496.236117	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H+K"	39.970434
"237105"	1947.037426	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+ACN+H"	42.033826
"1211391"	994.535626	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+ACN+H"	42.033826
"1196979"	497.771451	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+ACN+2H"	43.041102
"197507"	1949.97476	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+2Na-H"	44.97116
"633060"	2902.47656	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+2Na-H"	44.97116
"1136931"	997.47296	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2Na-H"	44.97116
"182771"	975.491018	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+2Na"	45.978436
"623425"	1451.741918	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+2Na"	45.978436
"1128395"	499.240118	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2Na"	45.978436
"1409733"	333.162504	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H+2Na"	46.985712
"1439662"	999.514546	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H+HCOOH"	47.012746
"227899"	980.52404	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+3H2O+2H"	56.04448
"1517783"	1013.56659	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+IsoProp+H"	61.06479
"418927"	983.477988	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+Na+K"	61.952376
"778830"	1459.728888	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+Na+K"	61.952376
"1675161"	507.227088	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Na+K"	61.952376
"257670"	1969.019368	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+ACN+Na"	64.015768
"1231473"	1016.517568	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+ACN+Na"	64.015768
"1719996"	1016.541093	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+NH4+HCOOH"	64.039293
"1182068"	340.489818	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+3Na"	68.967654
"1651960"	1021.496488	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Na+HCOOH"	68.994688
"157965"	1981.92264	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+2K-H"	76.91904
"598863"	2934.42444	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+2K-H"	76.91904
"1089459"	1029.42084	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2K-H"	76.91904
"145182"	991.464958	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"2M+2K"	77.926316
"583161"	1467.715858	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"3M+2K"	77.926316
"1068801"	515.214058	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2K"	77.926316
"1101855"	1031.435392	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2K+H"	78.933592
"1346871"	1031.523007	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+DMSO+H"	79.021207
"1015036"	1035.562176	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2ACN+H"	83.060376
"1530973"	1036.555808	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+IsoProp+Na+H"	84.054008
"998519"	518.284726	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+2ACN+2H"	84.067652
"1594114"	1037.470428	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+K+HCOOH"	84.968628
"1423053"	1067.501938	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+H+CF3COOH"	115.000138
"1154434"	538.798001	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+3ACN+2H"	125.094202
"1707267"	1084.528485	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+NH4+CF3COOH"	132.026685
"1639638"	1089.48388	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+Na+CF3COOH"	136.98208
"1572372"	1105.45782	"C19996"	"Microcystin RA"	"C46H68N10O12"	"952.5018"	"M+K+CF3COOH"	152.95602
"807841"	1044.528	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M"	0
"981375"	1025.50961	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-H2O-H"	-19.01839
"75089"	695.344724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M-3H"	-3.021828
"511369"	1043.520724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M-3H"	-3.021828
"890266"	347.168724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-3H"	-3.021828
"12120"	1043.520724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M-2H"	-2.014552
"441838"	1565.784724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M-2H"	-2.014552
"820735"	521.256724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-2H"	-2.014552
"84009"	2088.048724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M-H"	-1.007276
"529036"	3132.576724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M-H"	-1.007276
"907931"	1043.520724	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-H"	-1.007276
"54652"	2105.075271	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M-2H+NH4"	16.019271
"493118"	3149.603271	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M-2H+NH4"	16.019271
"868735"	1060.547271	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-2H+NH4"	16.019271
"34451"	2110.030666	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M-2H+Na"	20.974666
"477293"	3154.558666	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M-2H+Na"	20.974666
"852907"	1065.502666	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-2H+Na"	20.974666
"1623535"	1065.502666	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Na-2H"	20.974666
"97874"	1061.509063	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M-H+Cl"	33.962126
"537799"	1583.773063	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M-H+Cl"	33.962126
"929496"	539.245063	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-H+Cl"	33.962126
"271697"	2124.025402	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+Cl"	34.969402
"665211"	3168.553402	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+Cl"	34.969402
"1275790"	1079.497402	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Cl"	34.969402
"17616"	2126.004606	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M-2H+K"	36.948606
"456447"	3170.532606	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M-2H+K"	36.948606
"834973"	1081.476606	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-2H+K"	36.948606
"1556035"	1081.476606	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+K-2H"	36.948606
"952193"	1089.526194	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-H+HCOOH"	44.998194
"367127"	2134.054201	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+HCOOH-H"	44.998201
"359399"	2148.069851	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+Hac-H"	59.013851
"1507747"	1103.541851	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Hac-H"	59.013851
"974168"	1111.508151	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-H+NaCOOH"	66.980151
"124681"	1079.497402	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+2Cl"	69.938804
"564609"	1601.761402	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+2Cl"	69.938804
"1032314"	557.233402	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2Cl"	69.938804
"1248614"	1123.446885	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Br"	78.918885
"1311062"	1125.502872	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Cl+HCOOH"	80.974872
"1328556"	1147.484829	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Cl+NaCOOH"	102.956829
"917427"	1157.513586	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M-H+CF3COOH"	112.985586
"1290858"	1193.490264	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Cl+CF3COOH"	148.962264
"1370112"	1009.515324	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H-2H2O"	-35.012676
"1386515"	1027.5253	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H-H2O"	-17.0027
"295680"	2090.063276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+H"	1.007276
"688465"	3134.591276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+H"	1.007276
"1362626"	1045.535276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H"	1.007276
"137701"	1045.535276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+2H"	2.014552
"580187"	1567.799276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+2H"	2.014552
"1050436"	523.271276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2H"	2.014552
"218345"	697.359276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+3H"	3.021828
"659883"	1045.535276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+3H"	3.021828
"1171653"	349.183276	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+3H"	3.021828
"439671"	2107.089823	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+NH4"	18.033823
"799944"	3151.617823	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+NH4"	18.033823
"1695544"	1062.561823	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+NH4"	18.033823
"344186"	1054.0485495	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+H+NH4"	19.041099
"734785"	1576.3125495	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+H+NH4"	19.041099
"1490062"	531.7845495	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H+NH4"	19.041099
"406555"	2112.045218	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+Na"	22.989218
"765364"	3156.573218	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+Na"	22.989218
"1615649"	1067.517218	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Na"	22.989218
"325688"	1056.526247	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+H+Na"	23.996494
"709362"	1578.790247	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+H+Na"	23.996494
"1464274"	534.262247	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H+Na"	23.996494
"1056428"	356.51059	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2H+Na"	25.00377
"1264663"	1077.561486	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+CH3OH+H"	33.033486
"385425"	2128.019158	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+K"	38.963158
"746419"	3172.547158	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+K"	38.963158
"1548473"	1083.491158	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+K"	38.963158
"299451"	1064.513217	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+H+K"	39.970434
"693697"	1586.777217	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+H+K"	39.970434
"1448611"	542.249217	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H+K"	39.970434
"237944"	2131.089826	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+ACN+H"	42.033826
"1210772"	1086.561826	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+ACN+H"	42.033826
"1197090"	543.784551	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+ACN+2H"	43.041102
"194701"	2134.02716	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+2Na-H"	44.97116
"635358"	3178.55516	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+2Na-H"	44.97116
"1138863"	1089.49916	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2Na-H"	44.97116
"185068"	1067.517218	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+2Na"	45.978436
"620255"	1589.781218	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+2Na"	45.978436
"1127775"	545.253218	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2Na"	45.978436
"1408384"	363.837904	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H+2Na"	46.985712
"1439406"	1091.540746	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H+HCOOH"	47.012746
"228008"	1072.55024	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+3H2O+2H"	56.04448
"1518257"	1105.59279	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+IsoProp+H"	61.06479
"419036"	1075.504188	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+Na+K"	61.952376
"778940"	1597.768188	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+Na+K"	61.952376
"1674177"	553.240188	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Na+K"	61.952376
"255957"	2153.071768	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+ACN+Na"	64.015768
"1231219"	1108.543768	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+ACN+Na"	64.015768
"1720106"	1108.567293	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+NH4+HCOOH"	64.039293
"1181085"	371.165218	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+3Na"	68.967654
"1651339"	1113.522688	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Na+HCOOH"	68.994688
"157711"	2165.97504	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+2K-H"	76.91904
"597271"	3210.50304	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+2K-H"	76.91904
"1085315"	1121.44704	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2K-H"	76.91904
"145292"	1083.491158	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"2M+2K"	77.926316
"583150"	1605.755158	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"3M+2K"	77.926316
"1068873"	561.227158	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2K"	77.926316
"1101358"	1123.461592	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2K+H"	78.933592
"1347709"	1123.549207	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+DMSO+H"	79.021207
"1016239"	1127.588376	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2ACN+H"	83.060376
"1529990"	1128.582008	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+IsoProp+Na+H"	84.054008
"998629"	564.297826	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+2ACN+2H"	84.067652
"1596410"	1129.496628	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+K+HCOOH"	84.968628
"1423163"	1159.528138	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+H+CF3COOH"	115.000138
"1154544"	584.811101	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+3ACN+2H"	125.094202
"1707377"	1176.554685	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+NH4+CF3COOH"	132.026685
"1639748"	1181.51008	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+Na+CF3COOH"	136.98208
"1572482"	1197.48402	"C19997"	"Microcystin YR"	"C52H72N10O13"	"1044.528"	"M+K+CF3COOH"	152.95602
"807951"	252.0987	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M"	0
"978205"	233.08031	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-H2O-H"	-19.01839
"73012"	167.058524	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M-3H"	-3.021828
"510385"	251.091424	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M-3H"	-3.021828
"890376"	83.025624	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-3H"	-3.021828
"12230"	251.091424	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M-2H"	-2.014552
"444135"	377.140774	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M-2H"	-2.014552
"823032"	125.042074	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-2H"	-2.014552
"87401"	503.190124	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M-H"	-1.007276
"530241"	755.288824	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M-H"	-1.007276
"906948"	251.091424	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-H"	-1.007276
"58043"	520.216671	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M-2H+NH4"	16.019271
"499670"	772.315371	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M-2H+NH4"	16.019271
"872124"	268.117971	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-2H+NH4"	16.019271
"32126"	525.172066	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M-2H+Na"	20.974666
"471561"	777.270766	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M-2H+Na"	20.974666
"850462"	273.073366	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-2H+Na"	20.974666
"1619996"	273.073366	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Na-2H"	20.974666
"95798"	269.079763	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M-H+Cl"	33.962126
"536088"	395.129113	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M-H+Cl"	33.962126
"931065"	143.030413	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-H+Cl"	33.962126
"272171"	539.166802	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+Cl"	34.969402
"665321"	791.265502	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+Cl"	34.969402
"1275900"	287.068102	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Cl"	34.969402
"17362"	541.146006	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M-2H+K"	36.948606
"457287"	793.244706	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M-2H+K"	36.948606
"834357"	289.047306	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-2H+K"	36.948606
"1556388"	289.047306	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+K-2H"	36.948606
"952303"	297.096894	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-H+HCOOH"	44.998194
"362984"	549.195601	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+HCOOH-H"	44.998201
"360605"	563.211251	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+Hac-H"	59.013851
"1508222"	311.112551	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Hac-H"	59.013851
"973989"	319.078851	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-H+NaCOOH"	66.980151
"124550"	287.068102	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+2Cl"	69.938804
"564842"	413.117452	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+2Cl"	69.938804
"1029144"	161.018752	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2Cl"	69.938804
"1249818"	331.017585	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Br"	78.918885
"1314452"	333.073572	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Cl+HCOOH"	80.974872
"1328666"	355.055529	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Cl+NaCOOH"	102.956829
"923005"	365.084286	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M-H+CF3COOH"	112.985586
"1295340"	401.060964	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Cl+CF3COOH"	148.962264
"1371315"	217.086024	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H-2H2O"	-35.012676
"1386625"	235.096	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H-H2O"	-17.0027
"296885"	505.204676	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+H"	1.007276
"689304"	757.303376	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+H"	1.007276
"1365897"	253.105976	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H"	1.007276
"137447"	253.105976	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+2H"	2.014552
"579202"	379.155326	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+2H"	2.014552
"1050546"	127.056626	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2H"	2.014552
"216267"	169.073076	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+3H"	3.021828
"657772"	253.105976	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+3H"	3.021828
"1168483"	85.040176	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+3H"	3.021828
"439052"	522.231223	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+NH4"	18.033823
"800049"	774.329923	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+NH4"	18.033823
"1695528"	270.132523	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+NH4"	18.033823
"342468"	261.6192495	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+H+NH4"	19.041099
"735986"	387.6685995	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+H+NH4"	19.041099
"1485798"	135.5698995	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H+NH4"	19.041099
"403384"	527.186618	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+Na"	22.989218
"764379"	779.285318	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+Na"	22.989218
"1613572"	275.087918	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Na"	22.989218
"319236"	264.096947	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+H+Na"	23.996494
"708740"	390.146297	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+H+Na"	23.996494
"1466570"	138.047597	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H+Na"	23.996494
"1060908"	92.36749	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2H+Na"	25.00377
"1264773"	285.132186	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+CH3OH+H"	33.033486
"382255"	543.160558	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+K"	38.963158
"742519"	795.259258	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+K"	38.963158
"1548583"	291.061858	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+K"	38.963158
"304666"	272.083917	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+H+K"	39.970434
"692714"	398.133267	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+H+K"	39.970434
"1447627"	146.034567	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H+K"	39.970434
"237322"	546.231226	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+ACN+H"	42.033826
"1211122"	294.132526	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+ACN+H"	42.033826
"1195739"	147.569901	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+ACN+2H"	43.041102
"192258"	549.16856	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+2Na-H"	44.97116
"632551"	801.26726	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+2Na-H"	44.97116
"1138608"	297.06986	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2Na-H"	44.97116
"177887"	275.087918	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+2Na"	45.978436
"618541"	401.137268	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+2Na"	45.978436
"1123877"	149.038568	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2Na"	45.978436
"1405214"	99.694804	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H+2Na"	46.985712
"1439515"	299.111446	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H+HCOOH"	47.012746
"221676"	280.12094	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+3H2O+2H"	56.04448
"1516179"	313.16349	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+IsoProp+H"	61.06479
"414772"	283.074888	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+Na+K"	61.952376
"776864"	409.124238	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+Na+K"	61.952376
"1673195"	157.025538	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Na+K"	61.952376
"258620"	568.213168	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+ACN+Na"	64.015768
"1230599"	316.114468	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+ACN+Na"	64.015768
"1715113"	316.137993	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+NH4+HCOOH"	64.039293
"1181921"	107.022118	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+3Na"	68.967654
"1649903"	321.093388	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Na+HCOOH"	68.994688
"157153"	581.11644	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+2K-H"	76.91904
"597100"	833.21514	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+2K-H"	76.91904
"1084360"	329.01774	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2K-H"	76.91904
"145767"	291.061858	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"2M+2K"	77.926316
"584233"	417.111208	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"3M+2K"	77.926316
"1068578"	165.012508	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2K"	77.926316
"1101226"	331.032292	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2K+H"	78.933592
"1350005"	331.119907	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+DMSO+H"	79.021207
"1017442"	335.159076	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2ACN+H"	83.060376
"1530100"	336.152708	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+IsoProp+Na+H"	84.054008
"999832"	168.083176	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+2ACN+2H"	84.067652
"1596520"	337.067328	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+K+HCOOH"	84.968628
"1423273"	367.098838	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+H+CF3COOH"	115.000138
"1151374"	188.596451	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+3ACN+2H"	125.094202
"1702020"	384.125385	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+NH4+CF3COOH"	132.026685
"1634873"	389.08078	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+Na+CF3COOH"	136.98208
"1573321"	405.05472	"C19998"	"Anatoxin a(s);Anatoxin-A(S);Phosphoric acid mono(5S)-2-amino-5-(dimethylamino)methyl-45-dihydro-1H-imidazol-1-yl monomethyl ester"	"C7H17N4O4P"	"252.0987"	"M+K+CF3COOH"	152.95602
"809154"	415.1162	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M"	0
"981595"	396.09781	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-H2O-H"	-19.01839
"73121"	275.736857333333	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M-3H"	-3.021828
"514868"	414.108924	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M-3H"	-3.021828
"893766"	137.364790666667	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-3H"	-3.021828
"9060"	414.108924	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M-2H"	-2.014552
"446433"	621.667024	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M-2H"	-2.014552
"826424"	206.550824	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-2H"	-2.014552
"87511"	829.225124	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M-H"	-1.007276
"531446"	1244.341324	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M-H"	-1.007276
"909125"	414.108924	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-H"	-1.007276
"58154"	846.251671	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M-2H+NH4"	16.019271
"498808"	1261.367871	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M-2H+NH4"	16.019271
"873329"	431.135471	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-2H+NH4"	16.019271
"38313"	851.207066	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M-2H+Na"	20.974666
"474593"	1266.323266	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M-2H+Na"	20.974666
"853490"	436.090866	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-2H+Na"	20.974666
"1625211"	436.090866	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Na-2H"	20.974666
"99917"	432.097263	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M-H+Cl"	33.962126
"538750"	639.655363	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M-H+Cl"	33.962126
"936641"	224.539163	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-H+Cl"	33.962126
"272645"	865.201802	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+Cl"	34.969402
"668711"	1280.318002	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+Cl"	34.969402
"1278927"	450.085602	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Cl"	34.969402
"18931"	867.181006	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M-2H+K"	36.948606
"459949"	1282.297206	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M-2H+K"	36.948606
"833864"	452.064806	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-2H+K"	36.948606
"1556501"	452.064806	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+K-2H"	36.948606
"951320"	460.114394	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-H+HCOOH"	44.998194
"366252"	875.230601	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+HCOOH-H"	44.998201
"360757"	889.246251	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+Hac-H"	59.013851
"1507726"	474.130051	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Hac-H"	59.013851
"974142"	482.096351	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-H+NaCOOH"	66.980151
"124660"	450.085602	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+2Cl"	69.938804
"564830"	657.643702	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+2Cl"	69.938804
"1025974"	242.527502	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2Cl"	69.938804
"1247741"	494.035085	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Br"	78.918885
"1314562"	496.091072	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Cl+HCOOH"	80.974872
"1329869"	518.073029	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Cl+NaCOOH"	102.956829
"922022"	528.101786	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M-H+CF3COOH"	112.985586
"1295450"	564.078464	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Cl+CF3COOH"	148.962264
"1373613"	380.103524	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H-2H2O"	-35.012676
"1386735"	398.1135	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H-H2O"	-17.0027
"296630"	831.239676	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+H"	1.007276
"690144"	1246.355876	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+H"	1.007276
"1365763"	416.123476	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H"	1.007276
"137921"	416.123476	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+2H"	2.014552
"578575"	623.681576	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+2H"	2.014552
"1051631"	208.565376	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2H"	2.014552
"216377"	277.751409333333	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+3H"	3.021828
"659342"	416.123476	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+3H"	3.021828
"1175152"	139.379342666667	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+3H"	3.021828
"435879"	848.266223	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+NH4"	18.033823
"798337"	1263.382423	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+NH4"	18.033823
"1692113"	433.150023	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+NH4"	18.033823
"341848"	424.6367495	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+H+NH4"	19.041099
"733908"	632.1948495	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+H+NH4"	19.041099
"1488460"	217.0786495	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H+NH4"	19.041099
"404223"	853.221618	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+Na"	22.989218
"764489"	1268.337818	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+Na"	22.989218
"1612589"	438.105418	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Na"	22.989218
"318253"	427.114447	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+H+Na"	23.996494
"712859"	634.672547	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+H+Na"	23.996494
"1465586"	219.556347	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H+Na"	23.996494
"1062111"	146.706656666667	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2H+Na"	25.00377
"1265977"	448.149686	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+CH3OH+H"	33.033486
"382365"	869.195558	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+K"	38.963158
"744453"	1284.311758	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+K"	38.963158
"1546505"	454.079358	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+K"	38.963158
"303682"	435.101417	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+H+K"	39.970434
"692823"	642.659517	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+H+K"	39.970434
"1447737"	227.543317	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H+K"	39.970434
"235766"	872.266226	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+ACN+H"	42.033826
"1211232"	457.150026	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+ACN+H"	42.033826
"1195120"	229.078651	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+ACN+2H"	43.041102
"191633"	875.20356	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+2Na-H"	44.97116
"629743"	1290.31976	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+2Na-H"	44.97116
"1136530"	460.08736	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2Na-H"	44.97116
"175440"	438.105418	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+2Na"	45.978436
"615735"	645.663518	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+2Na"	45.978436
"1127631"	230.547318	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2Na"	45.978436
"1408603"	154.033970666667	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H+2Na"	46.985712
"1439626"	462.128946	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H+HCOOH"	47.012746
"224949"	443.13844	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+3H2O+2H"	56.04448
"1517384"	476.18099	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+IsoProp+H"	61.06479
"419256"	446.092388	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+Na+K"	61.952376
"779889"	653.650488	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+Na+K"	61.952376
"1676583"	238.534288	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Na+K"	61.952376
"259823"	894.248168	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+ACN+Na"	64.015768
"1230345"	479.131968	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+ACN+Na"	64.015768
"1715223"	479.155493	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+NH4+HCOOH"	64.039293
"1179479"	161.361284666667	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+3Na"	68.967654
"1650053"	484.110888	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Na+HCOOH"	68.994688
"159509"	907.15144	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+2K-H"	76.91904
"597654"	1322.26764	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+2K-H"	76.91904
"1084433"	492.03524	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2K-H"	76.91904
"147700"	454.079358	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"2M+2K"	77.926316
"583614"	661.637458	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"3M+2K"	77.926316
"1069219"	246.521258	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2K"	77.926316
"1100557"	494.049792	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2K+H"	78.933592
"1348901"	494.137407	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+DMSO+H"	79.021207
"1016459"	498.176576	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2ACN+H"	83.060376
"1531303"	499.170208	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+IsoProp+Na+H"	84.054008
"999942"	249.591926	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+2ACN+2H"	84.067652
"1599910"	500.084828	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+K+HCOOH"	84.968628
"1424476"	530.116338	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+H+CF3COOH"	115.000138
"1154764"	270.105201	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+3ACN+2H"	125.094202
"1702130"	547.142885	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+NH4+CF3COOH"	132.026685
"1634498"	552.09828	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+Na+CF3COOH"	136.98208
"1573431"	568.07222	"C19999"	"Cylindrospermopsin"	"C15H21N5O7S"	"415.1162"	"M+K+CF3COOH"	152.95602
"812546"	276.1725	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M"	0
"978425"	257.15411	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-H2O-H"	-19.01839
"71045"	183.107724	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M-3H"	-3.021828
"511699"	275.165224	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M-3H"	-3.021828
"891689"	91.050224	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-3H"	-3.021828
"9170"	275.165224	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M-2H"	-2.014552
"446543"	413.251474	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M-2H"	-2.014552
"827627"	137.078974	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-2H"	-2.014552
"89806"	551.337724	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M-H"	-1.007276
"531433"	827.510224	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M-H"	-1.007276
"909235"	275.165224	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-H"	-1.007276
"59357"	568.364271	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M-2H+NH4"	16.019271
"498918"	844.536771	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M-2H+NH4"	16.019271
"871616"	292.191771	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-2H+NH4"	16.019271
"42433"	573.319666	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M-2H+Na"	20.974666
"474704"	849.492166	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M-2H+Na"	20.974666
"856880"	297.147166	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-2H+Na"	20.974666
"1627144"	297.147166	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Na-2H"	20.974666
"103673"	293.153563	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M-H+Cl"	33.962126
"541048"	431.239813	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M-H+Cl"	33.962126
"933471"	155.067313	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-H+Cl"	33.962126
"271295"	587.314402	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+Cl"	34.969402
"666633"	863.486902	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+Cl"	34.969402
"1275757"	311.141902	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Cl"	34.969402
"22683"	589.293606	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M-2H+K"	36.948606
"460059"	865.466106	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M-2H+K"	36.948606
"837859"	313.121106	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-2H+K"	36.948606
"1556124"	313.121106	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+K-2H"	36.948606
"951430"	321.170694	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-H+HCOOH"	44.998194
"365269"	597.343201	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+HCOOH-H"	44.998201
"359730"	611.358851	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+Hac-H"	59.013851
"1507105"	335.186351	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Hac-H"	59.013851
"973312"	343.152651	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-H+NaCOOH"	66.980151
"124282"	311.141902	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+2Cl"	69.938804
"565514"	449.228152	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+2Cl"	69.938804
"1032644"	173.055652	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2Cl"	69.938804
"1248944"	355.091385	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Br"	78.918885
"1317588"	357.147372	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Cl+HCOOH"	80.974872
"1333990"	379.129329	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Cl+NaCOOH"	102.956829
"919944"	389.158086	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M-H+CF3COOH"	112.985586
"1294466"	425.134764	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Cl+CF3COOH"	148.962264
"1377005"	241.159824	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H-2H2O"	-35.012676
"1392313"	259.1698	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H-H2O"	-17.0027
"297106"	553.352276	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+H"	1.007276
"685515"	829.524776	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+H"	1.007276
"1364051"	277.179776	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H"	1.007276
"135845"	277.179776	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+2H"	2.014552
"578685"	415.266026	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+2H"	2.014552
"1050766"	139.093526	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2H"	2.014552
"217943"	185.122276	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+3H"	3.021828
"659695"	277.179776	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+3H"	3.021828
"1175263"	93.064776	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+3H"	3.021828
"436353"	570.378823	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+NH4"	18.033823
"799175"	846.551323	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+NH4"	18.033823
"1691494"	294.206323	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+NH4"	18.033823
"342689"	285.6930495	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+H+NH4"	19.041099
"735476"	423.7792995	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+H+NH4"	19.041099
"1488934"	147.6067995	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H+NH4"	19.041099
"403604"	575.334218	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+Na"	22.989218
"762409"	851.506718	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+Na"	22.989218
"1609413"	299.161718	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Na"	22.989218
"323830"	288.170747	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+H+Na"	23.996494
"714064"	426.256997	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+H+Na"	23.996494
"1466790"	150.084497	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H+Na"	23.996494
"1058941"	100.39209	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2H+Na"	25.00377
"1262807"	309.205986	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+CH3OH+H"	33.033486
"381745"	591.308158	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+K"	38.963158
"742740"	867.480658	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+K"	38.963158
"1542605"	315.135658	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+K"	38.963158
"305980"	296.157717	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+H+K"	39.970434
"698402"	434.243967	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+H+K"	39.970434
"1451128"	158.071467	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H+K"	39.970434
"237541"	594.378826	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+ACN+H"	42.033826
"1211709"	318.206326	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+ACN+H"	42.033826
"1197416"	159.606801	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+ACN+2H"	43.041102
"191380"	597.31616	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+2Na-H"	44.97116
"630218"	873.48866	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+2Na-H"	44.97116
"1135911"	321.14366	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2Na-H"	44.97116
"174826"	299.161718	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+2Na"	45.978436
"618397"	437.247968	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+2Na"	45.978436
"1127376"	161.075468	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2Na"	45.978436
"1410899"	107.719404	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H+2Na"	46.985712
"1440829"	323.185246	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H+HCOOH"	47.012746
"225059"	304.19474	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+3H2O+2H"	56.04448
"1520410"	337.23729	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+IsoProp+H"	61.06479
"419366"	307.148688	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+Na+K"	61.952376
"780363"	445.234938	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+Na+K"	61.952376
"1677785"	169.062438	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Na+K"	61.952376
"258839"	616.360768	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+ACN+Na"	64.015768
"1227903"	340.188268	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+ACN+Na"	64.015768
"1716426"	340.211793	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+NH4+HCOOH"	64.039293
"1179953"	115.046718	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+3Na"	68.967654
"1650042"	345.167188	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Na+HCOOH"	68.994688
"158162"	629.26404	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+2K-H"	76.91904
"597155"	905.43654	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+2K-H"	76.91904
"1084380"	353.09154	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2K-H"	76.91904
"143436"	315.135658	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"2M+2K"	77.926316
"584211"	453.221908	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"3M+2K"	77.926316
"1071882"	177.049408	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2K"	77.926316
"1100348"	355.106092	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2K+H"	78.933592
"1336001"	355.193707	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+DMSO+H"	79.021207
"1007817"	359.232876	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2ACN+H"	83.060376
"1531413"	360.226508	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+IsoProp+Na+H"	84.054008
"1000052"	180.120076	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+2ACN+2H"	84.067652
"1600020"	361.141128	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+K+HCOOH"	84.968628
"1427866"	391.172638	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+H+CF3COOH"	115.000138
"1154874"	200.633351	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+3ACN+2H"	125.094202
"1705520"	408.199185	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+NH4+CF3COOH"	132.026685
"1636067"	413.15458	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+Na+CF3COOH"	136.98208
"1573540"	429.12852	"C20000"	"Onchidal;E()-2-(E)-2-Acetoxyethenyl-4-(22-dimethyl-6-methylenecyclohexyl)-2-butenal"	"C17H24O3"	"276.1725"	"M+K+CF3COOH"	152.95602
"813749"	1022.5603	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M"	0
"975255"	1003.54191	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-H2O-H"	-19.01839
"72248"	680.699590666667	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M-3H"	-3.021828
"509621"	1021.553024	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M-3H"	-3.021828
"888517"	339.846157333333	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-3H"	-3.021828
"8186"	1021.553024	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M-2H"	-2.014552
"446653"	1532.833174	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M-2H"	-2.014552
"827736"	510.272874	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-2H"	-2.014552
"87729"	2044.113324	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M-H"	-1.007276
"531542"	3066.673624	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M-H"	-1.007276
"909833"	1021.553024	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-H"	-1.007276
"60560"	2061.139871	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M-2H+NH4"	16.019271
"500972"	3083.700171	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M-2H+NH4"	16.019271
"873548"	1038.579571	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-2H+NH4"	16.019271
"43636"	2066.095266	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M-2H+Na"	20.974666
"476636"	3088.655566	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M-2H+Na"	20.974666
"857720"	1043.534966	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-2H+Na"	20.974666
"1630534"	1043.534966	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Na-2H"	20.974666
"107063"	1039.541363	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M-H+Cl"	33.962126
"545531"	1550.821513	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M-H+Cl"	33.962126
"934674"	528.261213	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-H+Cl"	33.962126
"272135"	2080.090002	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+Cl"	34.969402
"666743"	3102.650302	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+Cl"	34.969402
"1280238"	1057.529702	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Cl"	34.969402
"22793"	2082.069206	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M-2H+K"	36.948606
"461258"	3104.629506	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M-2H+K"	36.948606
"836875"	1059.508906	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-2H+K"	36.948606
"1556596"	1059.508906	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+K-2H"	36.948606
"950444"	1067.558494	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-H+HCOOH"	44.998194
"368658"	2090.118801	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+HCOOH-H"	44.998201
"361019"	2104.134451	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+Hac-H"	59.013851
"1501378"	1081.574151	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Hac-H"	59.013851
"972934"	1089.540451	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-H+NaCOOH"	66.980151
"123295"	1057.529702	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+2Cl"	69.938804
"565660"	1568.809852	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+2Cl"	69.938804
"1035307"	546.249552	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2Cl"	69.938804
"1251240"	1101.479185	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Br"	78.918885
"1316968"	1103.535172	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Cl+HCOOH"	80.974872
"1332277"	1125.517129	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Cl+NaCOOH"	102.956829
"921148"	1135.545886	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M-H+CF3COOH"	112.985586
"1300043"	1171.522564	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Cl+CF3COOH"	148.962264
"1380760"	987.547624	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H-2H2O"	-35.012676
"1393516"	1005.5576	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H-H2O"	-17.0027
"296484"	2046.127876	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+H"	1.007276
"688541"	3068.688176	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+H"	1.007276
"1365258"	1023.567576	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H"	1.007276
"138141"	1023.567576	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+2H"	2.014552
"578795"	1534.847726	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+2H"	2.014552
"1048685"	512.287426	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2H"	2.014552
"218301"	682.714142666667	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+3H"	3.021828
"659766"	1023.567576	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+3H"	3.021828
"1177441"	341.860709333333	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+3H"	3.021828
"436463"	2063.154423	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+NH4"	18.033823
"793087"	3085.714723	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+NH4"	18.033823
"1692697"	1040.594123	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+NH4"	18.033823
"338789"	1032.0808495	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+H+NH4"	19.041099
"737047"	1543.3609995	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+H+NH4"	19.041099
"1490867"	520.8006995	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H+NH4"	19.041099
"404807"	2068.109818	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+Na"	22.989218
"765799"	3090.670118	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+Na"	22.989218
"1609523"	1045.549518	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Na"	22.989218
"323941"	1034.558547	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+H+Na"	23.996494
"714174"	1545.838697	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+H+Na"	23.996494
"1466900"	523.278397	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H+Na"	23.996494
"1061238"	349.188023333333	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2H+Na"	25.00377
"1265104"	1055.593786	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+CH3OH+H"	33.033486
"381491"	2084.083758	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+K"	38.963158
"743580"	3106.644058	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+K"	38.963158
"1542715"	1061.523458	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+K"	38.963158
"306090"	1042.545517	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+H+K"	39.970434
"697419"	1553.825667	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+H+K"	39.970434
"1450145"	531.265367	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H+K"	39.970434
"236803"	2087.154426	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+ACN+H"	42.033826
"1210964"	1064.594126	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+ACN+H"	42.033826
"1196069"	532.800701	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+ACN+2H"	43.041102
"189669"	2090.09176	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+2Na-H"	44.97116
"637619"	3112.65206	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+2Na-H"	44.97116
"1137114"	1067.53146	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2Na-H"	44.97116
"178947"	1045.549518	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+2Na"	45.978436
"618508"	1556.829668	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+2Na"	45.978436
"1128214"	534.269368	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2Na"	45.978436
"1408821"	356.515337333333	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H+2Na"	46.985712
"1440939"	1069.573046	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H+HCOOH"	47.012746
"222981"	1050.58254	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+3H2O+2H"	56.04448
"1514323"	1083.62509	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+IsoProp+H"	61.06479
"421663"	1053.536488	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+Na+K"	61.952376
"783024"	1564.816638	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+Na+K"	61.952376
"1678988"	542.256338	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Na+K"	61.952376
"262230"	2109.136368	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+ACN+Na"	64.015768
"1231658"	1086.576068	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+ACN+Na"	64.015768
"1718358"	1086.599593	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+NH4+HCOOH"	64.039293
"1182617"	363.842651333333	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+3Na"	68.967654
"1651412"	1091.554988	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Na+HCOOH"	68.994688
"158028"	2122.03964	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+2K-H"	76.91904
"597508"	3144.59994	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+2K-H"	76.91904
"1085263"	1099.47934	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2K-H"	76.91904
"145733"	1061.523458	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"2M+2K"	77.926316
"582375"	1572.803608	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"3M+2K"	77.926316
"1069805"	550.243308	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2K"	77.926316
"1100699"	1101.493892	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2K+H"	78.933592
"1336600"	1101.581507	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+DMSO+H"	79.021207
"1007198"	1105.620676	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2ACN+H"	83.060376
"1531523"	1106.614308	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+IsoProp+Na+H"	84.054008
"1003442"	553.313976	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+2ACN+2H"	84.067652
"1600130"	1107.528928	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+K+HCOOH"	84.968628
"1427976"	1137.560438	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+H+CF3COOH"	115.000138
"1154984"	573.827251	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+3ACN+2H"	125.094202
"1705630"	1154.586985	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+NH4+CF3COOH"	132.026685
"1637999"	1159.54238	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+Na+CF3COOH"	136.98208
"1573650"	1175.51632	"C20001"	"CTX 3C;Ciguatoxin CTX 3C;Ciguatoxin 3C"	"C57H82O16"	"1022.5603"	"M+K+CF3COOH"	152.95602
"811673"	1060.5759	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M"	0
"975729"	1041.55751	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-H2O-H"	-19.01839
"74543"	706.043324	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M-3H"	-3.021828
"511918"	1059.568624	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M-3H"	-3.021828
"888627"	352.518024	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-3H"	-3.021828
"4649"	1059.568624	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M-2H"	-2.014552
"443845"	1589.856574	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M-2H"	-2.014552
"824566"	529.280674	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-2H"	-2.014552
"85652"	2120.144524	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M-H"	-1.007276
"529586"	3180.720424	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M-H"	-1.007276
"910063"	1059.568624	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-H"	-1.007276
"57390"	2137.171071	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M-2H+NH4"	16.019271
"499138"	3197.746971	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M-2H+NH4"	16.019271
"873657"	1076.595171	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-2H+NH4"	16.019271
"44838"	2142.126466	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M-2H+Na"	20.974666
"478932"	3202.702366	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M-2H+Na"	20.974666
"853453"	1081.550566	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-2H+Na"	20.974666
"1621164"	1081.550566	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Na-2H"	20.974666
"100977"	1077.556963	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M-H+Cl"	33.962126
"541268"	1607.844913	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M-H+Cl"	33.962126
"934784"	547.269013	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-H+Cl"	33.962126
"270787"	2156.121202	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+Cl"	34.969402
"669040"	3216.697102	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+Cl"	34.969402
"1279256"	1095.545302	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Cl"	34.969402
"19624"	2158.100406	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M-2H+K"	36.948606
"458090"	3218.676306	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M-2H+K"	36.948606
"836984"	1097.524506	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-2H+K"	36.948606
"1556584"	1097.524506	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+K-2H"	36.948606
"950554"	1105.574094	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-H+HCOOH"	44.998194
"368768"	2166.150001	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+HCOOH-H"	44.998201
"361341"	2180.165651	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+Hac-H"	59.013851
"1502581"	1119.589751	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Hac-H"	59.013851
"972558"	1127.556051	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-H+NaCOOH"	66.980151
"120125"	1095.545302	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+2Cl"	69.938804
"565564"	1625.833252	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+2Cl"	69.938804
"1036635"	565.257352	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2Cl"	69.938804
"1250257"	1139.494785	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Br"	78.918885
"1313798"	1141.550772	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Cl+HCOOH"	80.974872
"1334574"	1163.532729	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Cl+NaCOOH"	102.956829
"915791"	1173.561486	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M-H+CF3COOH"	112.985586
"1296873"	1209.538164	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Cl+CF3COOH"	148.962264
"1380505"	1025.563224	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H-2H2O"	-35.012676
"1391439"	1043.5732	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H-H2O"	-17.0027
"297322"	2122.159076	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+H"	1.007276
"687921"	3182.734976	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+H"	1.007276
"1359896"	1061.583176	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H"	1.007276
"139344"	1061.583176	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+2H"	2.014552
"577812"	1591.871126	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+2H"	2.014552
"1046608"	531.295226	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2H"	2.014552
"219380"	708.057876	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+3H"	3.021828
"659348"	1061.583176	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+3H"	3.021828
"1172204"	354.532576	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+3H"	3.021828
"434386"	2139.185623	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+NH4"	18.033823
"794290"	3199.761523	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+NH4"	18.033823
"1692807"	1078.609723	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+NH4"	18.033823
"335619"	1070.0964495	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+H+NH4"	19.041099
"735333"	1600.3843995	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+H+NH4"	19.041099
"1486238"	539.8084995	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H+NH4"	19.041099
"402729"	2144.141018	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+Na"	22.989218
"762629"	3204.716918	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+Na"	22.989218
"1609633"	1083.565118	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Na"	22.989218
"325140"	1072.574147	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+H+Na"	23.996494
"714283"	1602.862097	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+H+Na"	23.996494
"1467010"	542.286197	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H+Na"	23.996494
"1059161"	361.85989	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2H+Na"	25.00377
"1259747"	1093.609386	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+CH3OH+H"	33.033486
"379049"	2160.114958	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+K"	38.963158
"741138"	3220.690858	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+K"	38.963158
"1542460"	1099.539058	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+K"	38.963158
"300000"	1080.561117	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+H+K"	39.970434
"696436"	1610.849067	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+H+K"	39.970434
"1449161"	550.273167	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H+K"	39.970434
"236669"	2163.185626	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+ACN+H"	42.033826
"1210385"	1102.609726	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+ACN+H"	42.033826
"1196906"	551.808501	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+ACN+2H"	43.041102
"191235"	2166.12296	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+2Na-H"	44.97116
"633353"	3226.69886	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+2Na-H"	44.97116
"1134668"	1105.54706	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2Na-H"	44.97116
"175772"	1083.565118	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+2Na"	45.978436
"617159"	1613.853068	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+2Na"	45.978436
"1129417"	553.277168	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2Na"	45.978436
"1407837"	369.187204	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H+2Na"	46.985712
"1439955"	1107.588646	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H+HCOOH"	47.012746
"223455"	1088.59814	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+3H2O+2H"	56.04448
"1514433"	1121.64069	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+IsoProp+H"	61.06479
"419584"	1091.552088	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+Na+K"	61.952376
"781676"	1621.840038	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+Na+K"	61.952376
"1679827"	561.264138	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Na+K"	61.952376
"260151"	2185.167568	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+ACN+Na"	64.015768
"1232861"	1124.591668	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+ACN+Na"	64.015768
"1721747"	1124.615193	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+NH4+HCOOH"	64.039293
"1180903"	376.514518	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+3Na"	68.967654
"1651643"	1129.570588	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Na+HCOOH"	68.994688
"157895"	2198.07084	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+2K-H"	76.91904
"597942"	3258.64674	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+2K-H"	76.91904
"1085249"	1137.49494	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2K-H"	76.91904
"145841"	1099.539058	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"2M+2K"	77.926316
"583214"	1629.827008	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"3M+2K"	77.926316
"1070155"	569.251108	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2K"	77.926316
"1102148"	1139.509492	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2K+H"	78.933592
"1336006"	1139.597107	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+DMSO+H"	79.021207
"1011316"	1143.636276	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2ACN+H"	83.060376
"1529447"	1144.629908	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+IsoProp+Na+H"	84.054008
"1004892"	572.321776	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+2ACN+2H"	84.067652
"1601212"	1145.544528	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+K+HCOOH"	84.968628
"1420432"	1175.576038	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+H+CF3COOH"	115.000138
"1155094"	592.835051	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+3ACN+2H"	125.094202
"1705740"	1192.602585	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+NH4+CF3COOH"	132.026685
"1638109"	1197.55798	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+Na+CF3COOH"	136.98208
"1574854"	1213.53192	"C20002"	"Ciguatoxin 4A;CTX 4A;Scaritoxin"	"C60H84O16"	"1060.5759"	"M+K+CF3COOH"	152.95602
"810689"	1140.6233	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M"	0
"984226"	1121.60491	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-H2O-H"	-19.01839
"70283"	759.408257333333	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M-3H"	-3.021828
"507656"	1139.616024	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M-3H"	-3.021828
"883270"	379.200490666667	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-3H"	-3.021828
"4031"	1139.616024	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M-2H"	-2.014552
"446874"	1709.927674	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M-2H"	-2.014552
"824677"	569.304374	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-2H"	-2.014552
"83575"	2280.239324	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M-H"	-1.007276
"528603"	3420.862624	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M-H"	-1.007276
"902033"	1139.616024	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-H"	-1.007276
"55312"	2297.265871	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M-2H+NH4"	16.019271
"499247"	3437.889171	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M-2H+NH4"	16.019271
"877779"	1156.642571	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-2H+NH4"	16.019271
"45315"	2302.221266	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M-2H+Na"	20.974666
"484509"	3442.844566	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M-2H+Na"	20.974666
"853563"	1161.597966	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-2H+Na"	20.974666
"1624195"	1161.597966	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Na-2H"	20.974666
"98540"	1157.604363	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M-H+Cl"	33.962126
"539193"	1727.916013	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M-H+Cl"	33.962126
"927277"	587.292713	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-H+Cl"	33.962126
"268346"	2316.216002	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+Cl"	34.969402
"665871"	3456.839302	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+Cl"	34.969402
"1275357"	1175.592702	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Cl"	34.969402
"17548"	2318.195206	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M-2H+K"	36.948606
"457470"	3458.818506	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M-2H+K"	36.948606
"834910"	1177.571906	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-2H+K"	36.948606
"1555890"	1177.571906	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+K-2H"	36.948606
"946289"	1185.621494	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-H+HCOOH"	44.998194
"361708"	2326.244801	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+HCOOH-H"	44.998201
"360999"	2340.260451	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+Hac-H"	59.013851
"1508433"	1199.637151	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Hac-H"	59.013851
"974202"	1207.603451	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-H+NaCOOH"	66.980151
"125653"	1175.592702	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+2Cl"	69.938804
"562349"	1745.904352	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+2Cl"	69.938804
"1028602"	605.281052	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2Cl"	69.938804
"1252554"	1219.542185	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Br"	78.918885
"1317187"	1221.598172	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Cl+HCOOH"	80.974872
"1329216"	1243.580129	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Cl+NaCOOH"	102.956829
"921368"	1253.608886	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M-H+CF3COOH"	112.985586
"1296983"	1289.585564	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Cl+CF3COOH"	148.962264
"1379524"	1105.610624	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H-2H2O"	-35.012676
"1396655"	1123.6206	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H-H2O"	-17.0027
"296706"	2282.253876	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+H"	1.007276
"685845"	3422.877176	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+H"	1.007276
"1365111"	1141.630576	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H"	1.007276
"140192"	1141.630576	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+2H"	2.014552
"579016"	1711.942226	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+2H"	2.014552
"1050003"	571.318926	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2H"	2.014552
"218641"	761.422809333333	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+3H"	3.021828
"658200"	1141.630576	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+3H"	3.021828
"1177418"	381.215042666667	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+3H"	3.021828
"436684"	2299.280423	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+NH4"	18.033823
"790393"	3439.903723	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+NH4"	18.033823
"1685265"	1158.657123	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+NH4"	18.033823
"341927"	1150.1438495	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+H+NH4"	19.041099
"732525"	1720.4554995	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+H+NH4"	19.041099
"1484524"	579.8321995	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H+NH4"	19.041099
"398464"	2304.235818	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+Na"	22.989218
"766020"	3444.859118	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+Na"	22.989218
"1607560"	1163.612518	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Na"	22.989218
"324886"	1152.621547	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+H+Na"	23.996494
"712206"	1722.933197	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+H+Na"	23.996494
"1466027"	582.309897	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H+Na"	23.996494
"1060364"	388.542356666667	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2H+Na"	25.00377
"1259491"	1173.656786	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+CH3OH+H"	33.033486
"377736"	2320.209758	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+K"	38.963158
"743800"	3460.833058	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+K"	38.963158
"1541477"	1179.586458	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+K"	38.963158
"301936"	1160.608517	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+H+K"	39.970434
"695817"	1730.920167	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+H+K"	39.970434
"1450366"	590.296867	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H+K"	39.970434
"238606"	2323.280426	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+ACN+H"	42.033826
"1217150"	1182.657126	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+ACN+H"	42.033826
"1197752"	591.832201	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+ACN+2H"	43.041102
"192805"	2326.21776	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+2Na-H"	44.97116
"637839"	3466.84106	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+2Na-H"	44.97116
"1135878"	1185.59446	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2Na-H"	44.97116
"184636"	1163.612518	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+2Na"	45.978436
"618729"	1733.924168	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+2Na"	45.978436
"1127706"	593.300868	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2Na"	45.978436
"1409045"	395.869670666667	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H+2Na"	46.985712
"1438973"	1187.636046	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H+HCOOH"	47.012746
"231947"	1168.64554	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+3H2O+2H"	56.04448
"1516729"	1201.68809	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+IsoProp+H"	61.06479
"419696"	1171.599488	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+Na+K"	61.952376
"780691"	1741.911138	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+Na+K"	61.952376
"1674838"	601.287838	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Na+K"	61.952376
"259170"	2345.262368	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+ACN+Na"	64.015768
"1230782"	1204.639068	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+ACN+Na"	64.015768
"1716391"	1204.662593	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+NH4+HCOOH"	64.039293
"1180652"	403.196984666667	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+3Na"	68.967654
"1654919"	1209.617988	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Na+HCOOH"	68.994688
"158735"	2358.16564	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+2K-H"	76.91904
"599152"	3498.78894	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+2K-H"	76.91904
"1084754"	1217.54234	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2K-H"	76.91904
"145222"	1179.586458	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"2M+2K"	77.926316
"585513"	1749.898108	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"3M+2K"	77.926316
"1068922"	609.274808	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2K"	77.926316
"1101407"	1219.556892	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2K+H"	78.933592
"1335640"	1219.644507	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+DMSO+H"	79.021207
"1016899"	1223.683676	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2ACN+H"	83.060376
"1539645"	1224.677308	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+IsoProp+Na+H"	84.054008
"1005123"	612.345476	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+2ACN+2H"	84.067652
"1598163"	1225.591928	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+K+HCOOH"	84.968628
"1421637"	1255.623438	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+H+CF3COOH"	115.000138
"1151926"	632.858751	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+3ACN+2H"	125.094202
"1705850"	1272.649985	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+NH4+CF3COOH"	132.026685
"1637126"	1277.60538	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+Na+CF3COOH"	136.98208
"1572777"	1293.57932	"C20003"	"Caribbean ciguatoxin 1;C-CTX 1"	"C62H92O19"	"1140.6233"	"M+K+CF3COOH"	152.95602
"811892"	756.4449	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M"	0
"982145"	737.42651	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-H2O-H"	-19.01839
"70393"	503.289324	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M-3H"	-3.021828
"507766"	755.437624	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M-3H"	-3.021828
"884473"	251.141024	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-3H"	-3.021828
"4140"	755.437624	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M-2H"	-2.014552
"444797"	1133.660074	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M-2H"	-2.014552
"825880"	377.215174	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-2H"	-2.014552
"85872"	1511.882524	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M-H"	-1.007276
"530658"	2268.327424	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M-H"	-1.007276
"908461"	755.437624	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-H"	-1.007276
"55422"	1528.909071	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M-2H+NH4"	16.019271
"499236"	2285.353971	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M-2H+NH4"	16.019271
"878256"	772.464171	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-2H+NH4"	16.019271
"44575"	1533.864466	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M-2H+Na"	20.974666
"483526"	2290.309366	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M-2H+Na"	20.974666
"853673"	777.419566	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-2H+Na"	20.974666
"1624305"	777.419566	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Na-2H"	20.974666
"101930"	773.425963	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M-H+Cl"	33.962126
"540397"	1151.648413	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M-H+Cl"	33.962126
"928444"	395.203513	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-H+Cl"	33.962126
"269187"	1547.859202	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+Cl"	34.969402
"665981"	2304.304102	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+Cl"	34.969402
"1277290"	791.414302	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Cl"	34.969402
"18387"	1549.838406	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M-2H+K"	36.948606
"458309"	2306.283306	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M-2H+K"	36.948606
"834290"	793.393506	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-2H+K"	36.948606
"1556325"	793.393506	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+K-2H"	36.948606
"947492"	801.443094	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-H+HCOOH"	44.998194
"362183"	1557.888001	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+HCOOH-H"	44.998201
"359075"	1571.903651	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+Hac-H"	59.013851
"1507546"	815.458751	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Hac-H"	59.013851
"973632"	823.425051	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-H+NaCOOH"	66.980151
"125585"	791.414302	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+2Cl"	69.938804
"562095"	1169.636752	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+2Cl"	69.938804
"1034908"	413.191852	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2Cl"	69.938804
"1252664"	835.363785	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Br"	78.918885
"1311830"	837.419772	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Cl+HCOOH"	80.974872
"1328233"	859.401729	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Cl+NaCOOH"	102.956829
"920385"	869.430486	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M-H+CF3COOH"	112.985586
"1298187"	905.407164	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Cl+CF3COOH"	148.962264
"1380363"	721.432224	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H-2H2O"	-35.012676
"1396037"	739.4422	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H-H2O"	-17.0027
"297182"	1513.897076	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+H"	1.007276
"685955"	2270.341976	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+H"	1.007276
"1365221"	757.452176	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H"	1.007276
"140667"	757.452176	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+2H"	2.014552
"579126"	1135.674626	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+2H"	2.014552
"1050113"	379.229726	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2H"	2.014552
"219481"	505.303876	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+3H"	3.021828
"659035"	757.452176	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+3H"	3.021828
"1177650"	253.155576	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+3H"	3.021828
"435700"	1530.923623	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+NH4"	18.033823
"790138"	2287.368523	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+NH4"	18.033823
"1689385"	774.478723	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+NH4"	18.033823
"340945"	765.9654495	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+H+NH4"	19.041099
"734094"	1144.1878995	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+H+NH4"	19.041099
"1485363"	387.7429995	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H+NH4"	19.041099
"397481"	1535.879018	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+Na"	22.989218
"765037"	2292.323918	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+Na"	22.989218
"1607670"	779.434118	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Na"	22.989218
"324997"	768.443147	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+H+Na"	23.996494
"711223"	1146.665597	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+H+Na"	23.996494
"1469417"	390.220697	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H+Na"	23.996494
"1058288"	260.48289	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2H+Na"	25.00377
"1258872"	789.478386	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+CH3OH+H"	33.033486
"378175"	1551.852958	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+K"	38.963158
"740994"	2308.297858	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+K"	38.963158
"1543045"	795.408058	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+K"	38.963158
"302774"	776.430117	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+H+K"	39.970434
"697749"	1154.652567	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+H+K"	39.970434
"1449747"	398.207667	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H+K"	39.970434
"238717"	1554.923626	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+ACN+H"	42.033826
"1213978"	798.478726	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+ACN+H"	42.033826
"1197859"	399.743001	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+ACN+2H"	43.041102
"189390"	1557.86096	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+2Na-H"	44.97116
"634669"	2314.30586	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+2Na-H"	44.97116
"1133800"	801.41606	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2Na-H"	44.97116
"183289"	779.434118	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+2Na"	45.978436
"618839"	1157.656568	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+2Na"	45.978436
"1120162"	401.211668	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2Na"	45.978436
"1401501"	267.810204	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H+2Na"	46.985712
"1431429"	803.457646	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H+HCOOH"	47.012746
"222580"	784.46714	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+3H2O+2H"	56.04448
"1511372"	817.50969	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+IsoProp+H"	61.06479
"412153"	787.421088	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+Na+K"	61.952376
"778615"	1165.643538	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+Na+K"	61.952376
"1672761"	409.198638	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Na+K"	61.952376
"261103"	1576.905568	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+ACN+Na"	64.015768
"1227247"	820.460668	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+ACN+Na"	64.015768
"1717595"	820.484193	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+NH4+HCOOH"	64.039293
"1180762"	275.137518	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+3Na"	68.967654
"1655029"	825.439588	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Na+HCOOH"	68.994688
"158239"	1589.80884	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+2K-H"	76.91904
"598411"	2346.25374	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+2K-H"	76.91904
"1084377"	833.36394	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2K-H"	76.91904
"144239"	795.408058	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"2M+2K"	77.926316
"586716"	1173.630508	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"3M+2K"	77.926316
"1069272"	417.185608	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2K"	77.926316
"1100543"	835.378492	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2K+H"	78.933592
"1335938"	835.466107	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+DMSO+H"	79.021207
"1014822"	839.505276	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2ACN+H"	83.060376
"1537201"	840.498908	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+IsoProp+Na+H"	84.054008
"1005357"	420.256276	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+2ACN+2H"	84.067652
"1598273"	841.413528	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+K+HCOOH"	84.968628
"1421747"	871.445038	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+H+CF3COOH"	115.000138
"1158596"	440.769551	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+3ACN+2H"	125.094202
"1709240"	888.471585	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+NH4+CF3COOH"	132.026685
"1637236"	893.42698	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+Na+CF3COOH"	136.98208
"1571914"	909.40092	"C20004"	"Gambierol"	"C43H64O11"	"756.4449"	"M+K+CF3COOH"	152.95602
"810909"	1472.5775	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M"	0
"981162"	1453.55911	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-H2O-H"	-19.01839
"69410"	980.711057333333	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M-3H"	-3.021828
"508969"	1471.570224	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M-3H"	-3.021828
"884583"	489.851890666667	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-3H"	-3.021828
"2064"	1471.570224	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M-2H"	-2.014552
"446001"	2207.858974	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M-2H"	-2.014552
"823804"	735.281474	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-2H"	-2.014552
"81973"	2944.147724	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M-H"	-1.007276
"528823"	4416.725224	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M-H"	-1.007276
"902253"	1471.570224	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-H"	-1.007276
"55532"	2961.174271	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M-2H+NH4"	16.019271
"499346"	4433.751771	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M-2H+NH4"	16.019271
"875082"	1488.596771	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-2H+NH4"	16.019271
"43713"	2966.129666	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M-2H+Na"	20.974666
"478169"	4438.707166	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M-2H+Na"	20.974666
"851960"	1493.552166	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-2H+Na"	20.974666
"1621859"	1493.552166	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Na-2H"	20.974666
"98759"	1489.558563	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M-H+Cl"	33.962126
"539414"	2225.847313	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M-H+Cl"	33.962126
"927116"	753.269813	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-H+Cl"	33.962126
"269297"	2980.124402	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+Cl"	34.969402
"661716"	4452.701902	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+Cl"	34.969402
"1274481"	1507.546902	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Cl"	34.969402
"19221"	2982.103606	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M-2H+K"	36.948606
"459147"	4454.681106	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M-2H+K"	36.948606
"834765"	1509.526106	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-2H+K"	36.948606
"1555795"	1509.526106	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+K-2H"	36.948606
"947602"	1517.575694	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-H+HCOOH"	44.998194
"362537"	2990.153201	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+HCOOH-H"	44.998201
"359185"	3004.168851	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+Hac-H"	59.013851
"1505831"	1531.591351	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Hac-H"	59.013851
"973738"	1539.557651	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-H+NaCOOH"	66.980151
"125197"	1507.546902	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+2Cl"	69.938804
"562204"	2243.835652	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+2Cl"	69.938804
"1035382"	771.258152	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2Cl"	69.938804
"1250587"	1551.496385	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Br"	78.918885
"1315220"	1553.552372	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Cl+HCOOH"	80.974872
"1328343"	1575.534329	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Cl+NaCOOH"	102.956829
"920495"	1585.563086	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M-H+CF3COOH"	112.985586
"1297203"	1621.539764	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Cl+CF3COOH"	148.962264
"1381201"	1437.564824	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H-2H2O"	-35.012676
"1394323"	1455.5748	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H-H2O"	-17.0027
"296197"	2946.162276	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+H"	1.007276
"688253"	4418.739776	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+H"	1.007276
"1363874"	1473.584776	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H"	1.007276
"140773"	1473.584776	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+2H"	2.014552
"577415"	2209.873526	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+2H"	2.014552
"1049495"	737.296026	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2H"	2.014552
"218742"	982.725609333333	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+3H"	3.021828
"658052"	1473.584776	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+3H"	3.021828
"1178368"	491.866442666667	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+3H"	3.021828
"435811"	2963.188823	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+NH4"	18.033823
"788062"	4435.766323	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+NH4"	18.033823
"1688766"	1490.611323	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+NH4"	18.033823
"341054"	1482.0980495	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+H+NH4"	19.041099
"732745"	2218.3867995	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+H+NH4"	19.041099
"1483286"	745.8092995	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H+NH4"	19.041099
"397591"	2968.144218	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+Na"	22.989218
"761867"	4440.721718	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+Na"	22.989218
"1609967"	1495.566718	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Na"	22.989218
"321096"	1484.575747	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+H+Na"	23.996494
"710239"	2220.864497	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+H+Na"	23.996494
"1463695"	748.286997	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H+Na"	23.996494
"1056575"	499.193756666667	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2H+Na"	25.00377
"1258982"	1505.610986	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+CH3OH+H"	33.033486
"377389"	2984.118158	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+K"	38.963158
"738916"	4456.695658	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+K"	38.963158
"1543155"	1511.540658	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+K"	38.963158
"302883"	1492.562717	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+H+K"	39.970434
"695307"	2228.851467	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+H+K"	39.970434
"1450221"	756.273967	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H+K"	39.970434
"239555"	2987.188826	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+ACN+H"	42.033826
"1213722"	1514.611326	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+ACN+H"	42.033826
"1198333"	757.809301	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+ACN+2H"	43.041102
"189379"	2990.12616	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+2Na-H"	44.97116
"631130"	4462.70366	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+2Na-H"	44.97116
"1134638"	1517.54866	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2Na-H"	44.97116
"183763"	1495.566718	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+2Na"	45.978436
"618949"	2231.855468	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+2Na"	45.978436
"1118085"	759.277968	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2Na"	45.978436
"1398816"	506.521070666667	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H+2Na"	46.985712
"1430444"	1519.590246	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H+HCOOH"	47.012746
"222690"	1500.59974	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+3H2O+2H"	56.04448
"1509294"	1533.64229	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+IsoProp+H"	61.06479
"412263"	1503.553688	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+Na+K"	61.952376
"776539"	2239.842438	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+Na+K"	61.952376
"1672872"	767.264938	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Na+K"	61.952376
"259391"	3009.170768	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+ACN+Na"	64.015768
"1226993"	1536.593268	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+ACN+Na"	64.015768
"1717705"	1536.616793	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+NH4+HCOOH"	64.039293
"1180872"	513.848384666667	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+3Na"	68.967654
"1651130"	1541.572188	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Na+HCOOH"	68.994688
"157742"	3022.07404	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+2K-H"	76.91904
"597330"	4494.65154	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+2K-H"	76.91904
"1084609"	1549.49654	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2K-H"	76.91904
"144349"	1511.540658	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"2M+2K"	77.926316
"585733"	2247.829408	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"3M+2K"	77.926316
"1068937"	775.251908	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2K"	77.926316
"1100166"	1551.511092	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2K+H"	78.933592
"1336292"	1551.598707	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+DMSO+H"	79.021207
"1008372"	1555.637876	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2ACN+H"	83.060376
"1530871"	1556.631508	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+IsoProp+Na+H"	84.054008
"997319"	778.322576	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+2ACN+2H"	84.067652
"1591822"	1557.546128	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+K+HCOOH"	84.968628
"1418208"	1587.577638	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+H+CF3COOH"	115.000138
"1158706"	798.835851	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+3ACN+2H"	125.094202
"1706070"	1604.604185	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+NH4+CF3COOH"	132.026685
"1637347"	1609.55958	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+Na+CF3COOH"	136.98208
"1571903"	1625.53352	"C20005"	"Dinophysistoxin 4;DTX-4"	"C66H104O30S3"	"1472.5775"	"M+K+CF3COOH"	152.95602
"812112"	836.4381	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M"	0
"983458"	817.41971	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-H2O-H"	-19.01839
"76081"	556.618124	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M-3H"	-3.021828
"511266"	835.430824	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M-3H"	-3.021828
"886880"	277.805424	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-3H"	-3.021828
"5455"	835.430824	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M-2H"	-2.014552
"453765"	1253.649874	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M-2H"	-2.014552
"829380"	417.211774	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-2H"	-2.014552
"93628"	1671.868924	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M-H"	-1.007276
"532213"	2508.307024	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M-H"	-1.007276
"910263"	835.430824	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-H"	-1.007276
"60016"	1688.895471	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M-2H+NH4"	16.019271
"502340"	2525.333571	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M-2H+NH4"	16.019271
"878109"	852.457371	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-2H+NH4"	16.019271
"44916"	1693.850866	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M-2H+Na"	20.974666
"483748"	2530.288966	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M-2H+Na"	20.974666
"860455"	857.412766	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-2H+Na"	20.974666
"1624521"	857.412766	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Na-2H"	20.974666
"107617"	853.419163	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M-H+Cl"	33.962126
"541710"	1271.638213	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M-H+Cl"	33.962126
"934131"	435.200113	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-H+Cl"	33.962126
"275967"	1707.845602	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+Cl"	34.969402
"670575"	2544.283702	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+Cl"	34.969402
"1282977"	871.407502	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Cl"	34.969402
"20066"	1709.824806	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M-2H+K"	36.948606
"459624"	2546.262906	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M-2H+K"	36.948606
"836333"	873.386706	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-2H+K"	36.948606
"1562012"	873.386706	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+K-2H"	36.948606
"949899"	881.436294	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-H+HCOOH"	44.998194
"368114"	1717.874401	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+HCOOH-H"	44.998201
"360513"	1731.890051	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+Hac-H"	59.013851
"1505940"	895.451951	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Hac-H"	59.013851
"972999"	903.418251	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-H+NaCOOH"	66.980151
"124098"	871.407502	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+2Cl"	69.938804
"563407"	1289.626552	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+2Cl"	69.938804
"1034766"	453.188452	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2Cl"	69.938804
"1251791"	915.356985	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Br"	78.918885
"1318247"	917.412972	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Cl+HCOOH"	80.974872
"1329547"	939.394929	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Cl+NaCOOH"	102.956829
"922793"	949.423686	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M-H+CF3COOH"	112.985586
"1296220"	985.400364	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Cl+CF3COOH"	148.962264
"1380946"	801.425424	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H-2H2O"	-35.012676
"1391880"	819.4354	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H-H2O"	-17.0027
"294846"	1673.883476	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+H"	1.007276
"687268"	2510.321576	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+H"	1.007276
"1361430"	837.445376	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H"	1.007276
"136507"	837.445376	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+2H"	2.014552
"577889"	1255.664426	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+2H"	2.014552
"1050333"	419.226326	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2H"	2.014552
"219329"	558.632676	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+3H"	3.021828
"659913"	837.445376	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+3H"	3.021828
"1178076"	279.819976	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+3H"	3.021828
"438107"	1690.910023	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+NH4"	18.033823
"791452"	2527.348123	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+NH4"	18.033823
"1686689"	854.471923	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+NH4"	18.033823
"341164"	845.9586495	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+H+NH4"	19.041099
"732855"	1264.1776995	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+H+NH4"	19.041099
"1483396"	427.7395995	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H+NH4"	19.041099
"397701"	1695.865418	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+Na"	22.989218
"763070"	2532.303518	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+Na"	22.989218
"1610077"	859.427318	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Na"	22.989218
"324486"	848.436347	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+H+Na"	23.996494
"711443"	1266.655397	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+H+Na"	23.996494
"1463805"	430.217297	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H+Na"	23.996494
"1057416"	287.14729	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2H+Na"	25.00377
"1258848"	869.471586	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+CH3OH+H"	33.033486
"380218"	1711.839358	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+K"	38.963158
"740483"	2548.277458	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+K"	38.963158
"1543994"	875.401258	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+K"	38.963158
"302265"	856.423317	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+H+K"	39.970434
"696874"	1274.642367	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+H+K"	39.970434
"1449601"	438.204267	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H+K"	39.970434
"239297"	1714.910026	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+ACN+H"	42.033826
"1214924"	878.471926	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+ACN+H"	42.033826
"1196618"	439.739601	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+ACN+2H"	43.041102
"189365"	1717.84736	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+2Na-H"	44.97116
"632333"	2554.28546	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+2Na-H"	44.97116
"1133653"	881.40926	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2Na-H"	44.97116
"183509"	859.427318	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+2Na"	45.978436
"619059"	1277.646368	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+2Na"	45.978436
"1118196"	441.208268	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2Na"	45.978436
"1399290"	294.474604	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H+2Na"	46.985712
"1431282"	883.450846	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H+HCOOH"	47.012746
"221340"	864.46034	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+3H2O+2H"	56.04448
"1510132"	897.50289	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+IsoProp+H"	61.06479
"414559"	867.414288	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+Na+K"	61.952376
"775916"	1285.633338	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+Na+K"	61.952376
"1672980"	449.195238	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Na+K"	61.952376
"255487"	1736.891968	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+ACN+Na"	64.015768
"1229291"	900.453868	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+ACN+Na"	64.015768
"1716355"	900.477393	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+NH4+HCOOH"	64.039293
"1181710"	301.801918	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+3Na"	68.967654
"1652696"	905.432788	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Na+HCOOH"	68.994688
"159192"	1749.79524	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+2K-H"	76.91904
"599844"	2586.23334	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+2K-H"	76.91904
"1085085"	913.35714	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2K-H"	76.91904
"144095"	875.401258	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"2M+2K"	77.926316
"586936"	1293.620308	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"3M+2K"	77.926316
"1069251"	457.182208	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2K"	77.926316
"1100520"	915.371692	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2K+H"	78.933592
"1336056"	915.459307	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+DMSO+H"	79.021207
"1008482"	919.498476	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2ACN+H"	83.060376
"1527698"	920.492108	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+IsoProp+Na+H"	84.054008
"991960"	460.252876	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+2ACN+2H"	84.067652
"1588284"	921.406728	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+K+HCOOH"	84.968628
"1417590"	951.438238	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+H+CF3COOH"	115.000138
"1152253"	480.766151	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+3ACN+2H"	125.094202
"1702897"	968.464785	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+NH4+CF3COOH"	132.026685
"1637456"	973.42018	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+Na+CF3COOH"	136.98208
"1572013"	989.39412	"C20006"	"Acanthifolicin;Acanthifolic acid"	"C44H68O13S"	"836.4381"	"M+K+CF3COOH"	152.95602
"812223"	624.351	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M"	0
"981382"	605.33261	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-H2O-H"	-19.01839
"72910"	415.226724	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M-3H"	-3.021828
"511376"	623.343724	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M-3H"	-3.021828
"884803"	207.109724	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-3H"	-3.021828
"4472"	623.343724	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M-2H"	-2.014552
"448408"	935.519224	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M-2H"	-2.014552
"826210"	311.168224	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-2H"	-2.014552
"84014"	1247.694724	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M-H"	-1.007276
"529043"	1872.045724	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M-H"	-1.007276
"911268"	623.343724	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-H"	-1.007276
"60126"	1264.721271	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M-2H+NH4"	16.019271
"502694"	1889.072271	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M-2H+NH4"	16.019271
"877488"	640.370271	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-2H+NH4"	16.019271
"43933"	1269.676666	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M-2H+Na"	20.974666
"483859"	1894.027666	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M-2H+Na"	20.974666
"862026"	645.325666	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-2H+Na"	20.974666
"1629006"	645.325666	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Na-2H"	20.974666
"109562"	641.332063	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M-H+Cl"	33.962126
"549763"	953.507563	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M-H+Cl"	33.962126
"940801"	329.156563	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-H+Cl"	33.962126
"278264"	1283.671402	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+Cl"	34.969402
"670685"	1908.022402	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+Cl"	34.969402
"1286976"	659.320402	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Cl"	34.969402
"21270"	1285.650606	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M-2H+K"	36.948606
"461923"	1910.001606	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M-2H+K"	36.948606
"835351"	661.299606	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-2H+K"	36.948606
"1562122"	661.299606	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+K-2H"	36.948606
"950009"	669.349194	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-H+HCOOH"	44.998194
"370411"	1293.700201	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+HCOOH-H"	44.998201
"360988"	1307.715851	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+Hac-H"	59.013851
"1507755"	683.364851	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Hac-H"	59.013851
"972504"	691.331151	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-H+NaCOOH"	66.980151
"123964"	659.320402	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+2Cl"	69.938804
"563889"	971.495902	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+2Cl"	69.938804
"1034149"	347.144902	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2Cl"	69.938804
"1254092"	703.269885	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Br"	78.918885
"1318727"	705.325872	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Cl+HCOOH"	80.974872
"1333306"	727.307829	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Cl+NaCOOH"	102.956829
"924002"	737.336586	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M-H+CF3COOH"	112.985586
"1300342"	773.313264	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Cl+CF3COOH"	148.962264
"1379966"	589.338324	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H-2H2O"	-35.012676
"1394543"	607.3483	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H-H2O"	-17.0027
"296052"	1249.709276	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+H"	1.007276
"685921"	1874.060276	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+H"	1.007276
"1361541"	625.358276	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H"	1.007276
"135889"	625.358276	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+2H"	2.014552
"576907"	937.533776	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+2H"	2.014552
"1049352"	313.182776	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2H"	2.014552
"219076"	417.241276	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+3H"	3.021828
"658281"	625.358276	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+3H"	3.021828
"1177012"	209.124276	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+3H"	3.021828
"434934"	1266.735823	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+NH4"	18.033823
"793743"	1891.086823	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+NH4"	18.033823
"1688986"	642.384823	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+NH4"	18.033823
"342003"	633.8715495	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+H+NH4"	19.041099
"732965"	946.0470495	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+H+NH4"	19.041099
"1483506"	321.6960495	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H+NH4"	19.041099
"401091"	1271.691218	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+Na"	22.989218
"765367"	1896.042218	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+Na"	22.989218
"1615655"	647.340218	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Na"	22.989218
"327149"	636.349247	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+H+Na"	23.996494
"714834"	948.524747	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+H+Na"	23.996494
"1469748"	324.173747	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H+Na"	23.996494
"1061900"	216.45159	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2H+Na"	25.00377
"1263579"	657.384486	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+CH3OH+H"	33.033486
"386526"	1287.665158	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+K"	38.963158
"744241"	1912.016158	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+K"	38.963158
"1547388"	663.314158	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+K"	38.963158
"305657"	644.336217	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+H+K"	39.970434
"697349"	956.511717	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+H+K"	39.970434
"1452993"	332.160717	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H+K"	39.970434
"237951"	1290.735826	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+ACN+H"	42.033826
"1213211"	666.384826	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+ACN+H"	42.033826
"1196364"	333.696051	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+ACN+2H"	43.041102
"189474"	1293.67316	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+2Na-H"	44.97116
"632080"	1918.02416	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+2Na-H"	44.97116
"1134857"	669.32216	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2Na-H"	44.97116
"182890"	647.340218	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+2Na"	45.978436
"620263"	959.515718	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+2Na"	45.978436
"1122678"	335.164718	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2Na"	45.978436
"1404017"	223.778904	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H+2Na"	46.985712
"1432123"	671.363746	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H+HCOOH"	47.012746
"229107"	652.37324	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+3H2O+2H"	56.04448
"1514982"	685.41579	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+IsoProp+H"	61.06479
"418680"	655.327188	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+Na+K"	61.952376
"777850"	967.502688	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+Na+K"	61.952376
"1674185"	343.151688	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Na+K"	61.952376
"260702"	1312.717768	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+ACN+Na"	64.015768
"1233411"	688.366768	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+ACN+Na"	64.015768
"1723391"	688.390293	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+NH4+HCOOH"	64.039293
"1187652"	231.106218	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+3Na"	68.967654
"1654266"	693.345688	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Na+HCOOH"	68.994688
"165499"	1325.62104	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+2K-H"	76.91904
"605058"	1949.97204	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+2K-H"	76.91904
"1087387"	701.27004	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2K-H"	76.91904
"145298"	663.314158	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"2M+2K"	77.926316
"585952"	975.489658	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"3M+2K"	77.926316
"1069853"	351.138658	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2K"	77.926316
"1101848"	703.284592	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2K+H"	78.933592
"1340056"	703.372207	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+DMSO+H"	79.021207
"1010774"	707.411376	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2ACN+H"	83.060376
"1526712"	708.405008	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+IsoProp+Na+H"	84.054008
"990851"	354.209326	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+2ACN+2H"	84.067652
"1590947"	709.319628	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+K+HCOOH"	84.968628
"1418793"	739.351138	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+H+CF3COOH"	115.000138
"1154548"	374.722601	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+3ACN+2H"	125.094202
"1703006"	756.377685	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+NH4+CF3COOH"	132.026685
"1635380"	761.33308	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+Na+CF3COOH"	136.98208
"1572123"	777.30702	"C20007"	"Caribenolide I"	"C33H52O11"	"624.351"	"M+K+CF3COOH"	152.95602
"815861"	878.4334	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M"	0
"983684"	859.41501	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-H2O-H"	-19.01839
"71927"	584.614990666667	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M-3H"	-3.021828
"512580"	877.426124	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M-3H"	-3.021828
"887101"	291.803857333333	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-3H"	-3.021828
"11144"	877.426124	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M-2H"	-2.014552
"447423"	1316.642824	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M-2H"	-2.014552
"826320"	438.209424	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-2H"	-2.014552
"81937"	1755.859524	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M-H"	-1.007276
"529153"	2634.292924	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M-H"	-1.007276
"906956"	877.426124	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-H"	-1.007276
"59876"	1772.886071	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M-2H+NH4"	16.019271
"499798"	2651.319471	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M-2H+NH4"	16.019271
"878212"	894.452671	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-2H+NH4"	16.019271
"43682"	1777.841466	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M-2H+Na"	20.974666
"481054"	2656.274866	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M-2H+Na"	20.974666
"859219"	899.408066	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-2H+Na"	20.974666
"1629118"	899.408066	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Na-2H"	20.974666
"103463"	895.414463	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M-H+Cl"	33.962126
"537558"	1334.631163	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M-H+Cl"	33.962126
"932166"	456.197763	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-H+Cl"	33.962126
"272908"	1791.836202	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+Cl"	34.969402
"674075"	2670.269602	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+Cl"	34.969402
"1276638"	913.402802	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Cl"	34.969402
"23568"	1793.815406	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M-2H+K"	36.948606
"466407"	2672.248806	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M-2H+K"	36.948606
"837648"	915.382006	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-2H+K"	36.948606
"1557130"	915.382006	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+K-2H"	36.948606
"943920"	923.431594	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-H+HCOOH"	44.998194
"366147"	1801.865001	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+HCOOH-H"	44.998201
"359514"	1815.880651	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+Hac-H"	59.013851
"1507619"	937.447251	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Hac-H"	59.013851
"973582"	945.413551	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-H+NaCOOH"	66.980151
"124439"	913.402802	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+2Cl"	69.938804
"563999"	1352.619502	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+2Cl"	69.938804
"1035717"	474.186102	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2Cl"	69.938804
"1254928"	957.352285	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Br"	78.918885
"1318837"	959.408272	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Cl+HCOOH"	80.974872
"1333781"	981.390229	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Cl+NaCOOH"	102.956829
"925567"	991.418986	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M-H+CF3COOH"	112.985586
"1300816"	1027.395664	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Cl+CF3COOH"	148.962264
"1380441"	843.420724	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H-2H2O"	-35.012676
"1395748"	861.4307	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H-H2O"	-17.0027
"296161"	1757.874076	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+H"	1.007276
"686760"	2636.307476	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+H"	1.007276
"1360558"	879.440676	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H"	1.007276
"135999"	879.440676	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+2H"	2.014552
"577017"	1318.657376	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+2H"	2.014552
"1049097"	440.223976	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2H"	2.014552
"218943"	586.629542666667	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+3H"	3.021828
"658390"	879.440676	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+3H"	3.021828
"1177730"	293.818409333333	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+3H"	3.021828
"435044"	1774.900623	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+NH4"	18.033823
"797134"	2653.334023	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+NH4"	18.033823
"1690189"	896.467223	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+NH4"	18.033823
"341384"	887.9539495	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+H+NH4"	19.041099
"736722"	1327.1706495	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+H+NH4"	19.041099
"1490178"	448.7372495	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H+NH4"	19.041099
"405213"	1779.856018	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+Na"	22.989218
"765477"	2658.289418	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+Na"	22.989218
"1615765"	901.422618	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Na"	22.989218
"327987"	890.431647	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+H+Na"	23.996494
"714945"	1329.648347	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+H+Na"	23.996494
"1470952"	451.214947	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H+Na"	23.996494
"1066384"	301.145723333333	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2H+Na"	25.00377
"1265876"	911.466886	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+CH3OH+H"	33.033486
"385544"	1795.829958	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+K"	38.963158
"749819"	2674.263358	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+K"	38.963158
"1549686"	917.396558	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+K"	38.963158
"305770"	898.418617	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+H+K"	39.970434
"697098"	1337.635317	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+H+K"	39.970434
"1449825"	459.201917	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H+K"	39.970434
"237332"	1798.900626	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+ACN+H"	42.033826
"1212233"	920.467226	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+ACN+H"	42.033826
"1196477"	460.737251	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+ACN+2H"	43.041102
"188933"	1801.83796	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+2Na-H"	44.97116
"631461"	2680.27136	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+2Na-H"	44.97116
"1140805"	923.40456	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2Na-H"	44.97116
"184096"	901.422618	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+2Na"	45.978436
"621471"	1340.639318	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+2Na"	45.978436
"1117444"	462.205918	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2Na"	45.978436
"1405221"	308.473037333333	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H+2Na"	46.985712
"1435149"	925.446146	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H+HCOOH"	47.012746
"228124"	906.45564	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+3H2O+2H"	56.04448
"1512541"	939.49819	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+IsoProp+H"	61.06479
"418060"	909.409588	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+Na+K"	61.952376
"780149"	1348.626288	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+Na+K"	61.952376
"1674294"	470.192888	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Na+K"	61.952376
"260812"	1820.882568	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+ACN+Na"	64.015768
"1235708"	942.449168	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+ACN+Na"	64.015768
"1723501"	942.472693	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+NH4+HCOOH"	64.039293
"1186668"	315.800351333333	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+3Na"	68.967654
"1656562"	947.428088	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Na+HCOOH"	68.994688
"164516"	1833.78584	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+2K-H"	76.91904
"604075"	2712.21924	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+2K-H"	76.91904
"1087861"	955.35244	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2K-H"	76.91904
"147595"	917.396558	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"2M+2K"	77.926316
"589344"	1356.613258	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"3M+2K"	77.926316
"1071666"	478.179858	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2K"	77.926316
"1104876"	957.366992	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2K+H"	78.933592
"1343447"	957.454607	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+DMSO+H"	79.021207
"1009791"	961.493776	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2ACN+H"	83.060376
"1525729"	962.487408	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+IsoProp+Na+H"	84.054008
"990355"	481.250526	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+2ACN+2H"	84.067652
"1594338"	963.402028	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+K+HCOOH"	84.968628
"1418904"	993.433538	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+H+CF3COOH"	115.000138
"1159034"	501.763801	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+3ACN+2H"	125.094202
"1706399"	1010.460085	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+NH4+CF3COOH"	132.026685
"1634759"	1015.41548	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+Na+CF3COOH"	136.98208
"1571311"	1031.38942	"C20008"	"Hoffmanniolide"	"C42H70O17S"	"878.4334"	"M+K+CF3COOH"	152.95602
"816455"	506.3244	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M"	0
"985976"	487.30601	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-H2O-H"	-19.01839
"66566"	336.542324	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M-3H"	-3.021828
"508312"	505.317124	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M-3H"	-3.021828
"880646"	167.767524	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-3H"	-3.021828
"6876"	505.317124	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M-2H"	-2.014552
"447533"	758.479324	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M-2H"	-2.014552
"818409"	252.154924	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-2H"	-2.014552
"90798"	1011.641524	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M-H"	-1.007276
"532789"	1517.965924	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M-H"	-1.007276
"908768"	505.317124	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-H"	-1.007276
"59984"	1028.668071	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M-2H+NH4"	16.019271
"499543"	1534.992471	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M-2H+NH4"	16.019271
"876619"	522.343671	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-2H+NH4"	16.019271
"43792"	1033.623466	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M-2H+Na"	20.974666
"484080"	1539.947866	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M-2H+Na"	20.974666
"856412"	527.299066	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-2H+Na"	20.974666
"1628864"	527.299066	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Na-2H"	20.974666
"98107"	523.305463	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M-H+Cl"	33.962126
"536573"	776.467663	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M-H+Cl"	33.962126
"928625"	270.143263	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-H+Cl"	33.962126
"278484"	1047.618202	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+Cl"	34.969402
"662158"	1553.942602	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+Cl"	34.969402
"1274561"	541.293802	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Cl"	34.969402
"21490"	1049.597406	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M-2H+K"	36.948606
"464330"	1555.921806	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M-2H+K"	36.948606
"836663"	543.273006	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-2H+K"	36.948606
"1556143"	543.273006	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+K-2H"	36.948606
"946944"	551.322594	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-H+HCOOH"	44.998194
"365162"	1057.647001	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+HCOOH-H"	44.998201
"360964"	1071.662651	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+Hac-H"	59.013851
"1507364"	565.338251	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Hac-H"	59.013851
"973084"	573.304551	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-H+NaCOOH"	66.980151
"124064"	541.293802	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+2Cl"	69.938804
"564960"	794.456002	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+2Cl"	69.938804
"1036440"	288.131602	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2Cl"	69.938804
"1256136"	585.243285	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Br"	78.918885
"1312383"	587.299272	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Cl+HCOOH"	80.974872
"1333159"	609.281229	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Cl+NaCOOH"	102.956829
"925675"	619.309986	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M-H+CF3COOH"	112.985586
"1300197"	655.286664	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Cl+CF3COOH"	148.962264
"1379087"	471.311724	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H-2H2O"	-35.012676
"1394397"	489.3217	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H-H2O"	-17.0027
"294083"	1013.656076	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+H"	1.007276
"685776"	1519.980476	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+H"	1.007276
"1361758"	507.331676	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H"	1.007276
"134648"	507.331676	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+2H"	2.014552
"570927"	760.493876	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+2H"	2.014552
"1048474"	254.169476	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2H"	2.014552
"214919"	338.556876	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+3H"	3.021828
"658495"	507.331676	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+3H"	3.021828
"1177470"	169.782076	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+3H"	3.021828
"435153"	1030.682623	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+NH4"	18.033823
"795055"	1537.007023	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+NH4"	18.033823
"1689206"	524.358223	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+NH4"	18.033823
"340401"	515.8449495	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+H+NH4"	19.041099
"733916"	769.0071495	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+H+NH4"	19.041099
"1487736"	262.6827495	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H+NH4"	19.041099
"404959"	1035.638018	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+Na"	22.989218
"765953"	1541.962418	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+Na"	22.989218
"1612229"	529.313618	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Na"	22.989218
"327737"	518.322647	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+H+Na"	23.996494
"718334"	771.484847	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+H+Na"	23.996494
"1471788"	265.160447	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H+Na"	23.996494
"1063213"	177.10939	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2H+Na"	25.00377
"1264895"	539.357886	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+CH3OH+H"	33.033486
"386384"	1051.611958	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+K"	38.963158
"746649"	1557.936358	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+K"	38.963158
"1545423"	545.287558	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+K"	38.963158
"300049"	526.309617	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+H+K"	39.970434
"693562"	779.471817	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+H+K"	39.970434
"1449205"	273.147417	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H+K"	39.970434
"236106"	1054.682626	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+ACN+H"	42.033826
"1210148"	548.358226	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+ACN+H"	42.033826
"1194231"	274.682751	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+ACN+2H"	43.041102
"188640"	1057.61996	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+2Na-H"	44.97116
"631206"	1563.94436	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+2Na-H"	44.97116
"1135811"	551.29556	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2Na-H"	44.97116
"180925"	529.313618	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+2Na"	45.978436
"622308"	782.475818	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+2Na"	45.978436
"1119620"	276.151418	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2Na"	45.978436
"1404238"	184.436704	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H+2Na"	46.985712
"1435259"	553.337146	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H+HCOOH"	47.012746
"228234"	534.34664	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+3H2O+2H"	56.04448
"1512287"	567.38919	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+IsoProp+H"	61.06479
"413796"	537.300588	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+Na+K"	61.952376
"779165"	790.462788	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+Na+K"	61.952376
"1674405"	284.138388	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Na+K"	61.952376
"260926"	1076.664568	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+ACN+Na"	64.015768
"1233634"	570.340168	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+ACN+Na"	64.015768
"1725435"	570.363693	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+NH4+HCOOH"	64.039293
"1188969"	191.764018	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+3Na"	68.967654
"1658861"	575.319088	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Na+HCOOH"	68.994688
"163534"	1089.56784	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+2K-H"	76.91904
"604188"	1595.89224	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+2K-H"	76.91904
"1089796"	583.24344	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2K-H"	76.91904
"145519"	545.287558	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"2M+2K"	77.926316
"588361"	798.449758	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"3M+2K"	77.926316
"1071777"	292.125358	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2K"	77.926316
"1102799"	585.257992	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2K+H"	78.933592
"1336387"	585.345607	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+DMSO+H"	79.021207
"1012089"	589.384776	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2ACN+H"	83.060376
"1529124"	590.378408	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+IsoProp+Na+H"	84.054008
"999946"	295.196026	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+2ACN+2H"	84.067652
"1596635"	591.293028	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+K+HCOOH"	84.968628
"1424482"	621.324538	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+H+CF3COOH"	115.000138
"1154773"	315.709301	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+3ACN+2H"	125.094202
"1706510"	638.351085	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+NH4+CF3COOH"	132.026685
"1634204"	643.30648	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+Na+CF3COOH"	136.98208
"1571325"	659.28042	"C20009"	"Iriomoteolide 1a;Iriomoteolide-1a"	"C29H46O7"	"506.3244"	"M+K+CF3COOH"	152.95602
"813646"	710.1845	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M"	0
"986086"	691.16611	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-H2O-H"	-19.01839
"68863"	472.449057333333	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M-3H"	-3.021828
"509517"	709.177224	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M-3H"	-3.021828
"884038"	235.720890666667	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-3H"	-3.021828
"4800"	709.177224	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M-2H"	-2.014552
"443268"	1064.269474	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M-2H"	-2.014552
"824352"	354.084974	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-2H"	-2.014552
"89814"	1419.361724	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M-H"	-1.007276
"532537"	2129.546224	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M-H"	-1.007276
"909002"	709.177224	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-H"	-1.007276
"60096"	1436.388271	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M-2H+NH4"	16.019271
"501114"	2146.572771	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M-2H+NH4"	16.019271
"876729"	726.203771	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-2H+NH4"	16.019271
"44630"	1441.343666	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M-2H+Na"	20.974666
"481638"	2151.528166	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M-2H+Na"	20.974666
"859803"	731.159166	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-2H+Na"	20.974666
"1630067"	731.159166	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Na-2H"	20.974666
"96031"	727.165563	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M-H+Cl"	33.962126
"534411"	1082.257813	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M-H+Cl"	33.962126
"938944"	372.073313	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-H+Cl"	33.962126
"278594"	1455.338402	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+Cl"	34.969402
"662389"	2165.522902	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+Cl"	34.969402
"1280136"	745.153902	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Cl"	34.969402
"17709"	1457.317606	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M-2H+K"	36.948606
"457999"	2167.502106	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M-2H+K"	36.948606
"835680"	747.133106	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-2H+K"	36.948606
"1556251"	747.133106	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+K-2H"	36.948606
"944492"	755.182694	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-H+HCOOH"	44.998194
"362584"	1465.367201	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+HCOOH-H"	44.998201
"356814"	1479.382851	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+Hac-H"	59.013851
"1508128"	769.198351	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Hac-H"	59.013851
"972106"	777.164651	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-H+NaCOOH"	66.980151
"124537"	745.153902	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+2Cl"	69.938804
"563734"	1100.246152	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+2Cl"	69.938804
"1035573"	390.061652	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2Cl"	69.938804
"1254419"	789.103385	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Br"	78.918885
"1312493"	791.159372	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Cl+HCOOH"	80.974872
"1332904"	813.141329	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Cl+NaCOOH"	102.956829
"921046"	823.170086	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M-H+CF3COOH"	112.985586
"1299578"	859.146764	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Cl+CF3COOH"	148.962264
"1380291"	675.171824	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H-2H2O"	-35.012676
"1394872"	693.1818	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H-H2O"	-17.0027
"294922"	1421.376276	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+H"	1.007276
"684426"	2131.560776	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+H"	1.007276
"1360774"	711.191776	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H"	1.007276
"132571"	711.191776	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+2H"	2.014552
"572130"	1066.284026	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+2H"	2.014552
"1048584"	356.099526	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2H"	2.014552
"216853"	474.463609333333	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+3H"	3.021828
"659089"	711.191776	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+3H"	3.021828
"1176606"	237.735442666667	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+3H"	3.021828
"435993"	1438.402823	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+NH4"	18.033823
"796258"	2148.587323	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+NH4"	18.033823
"1690045"	728.218323	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+NH4"	18.033823
"340877"	719.7050495	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+H+NH4"	19.041099
"730746"	1074.7972995	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+H+NH4"	19.041099
"1488210"	364.6127995	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H+NH4"	19.041099
"406891"	1443.358218	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+Na"	22.989218
"768496"	2153.542718	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+Na"	22.989218
"1615255"	733.173718	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Na"	22.989218
"329184"	722.182747	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+H+Na"	23.996494
"718809"	1077.274997	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+H+Na"	23.996494
"1466794"	367.090497	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H+Na"	23.996494
"1064416"	245.062756666667	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2H+Na"	25.00377
"1266097"	743.217986	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+CH3OH+H"	33.033486
"389042"	1459.332158	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+K"	38.963158
"744575"	2169.516658	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+K"	38.963158
"1546627"	749.147658	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+K"	38.963158
"302711"	730.169717	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+H+K"	39.970434
"696224"	1085.261967	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+H+K"	39.970434
"1453325"	375.077467	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H+K"	39.970434
"236458"	1462.402826	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+ACN+H"	42.033826
"1211354"	752.218326	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+ACN+H"	42.033826
"1195602"	376.612801	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+ACN+2H"	43.041102
"189317"	1465.34016	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+2Na-H"	44.97116
"631317"	2175.52466	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+2Na-H"	44.97116
"1138837"	755.15566	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2Na-H"	44.97116
"181035"	733.173718	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+2Na"	45.978436
"622782"	1088.265968	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+2Na"	45.978436
"1121916"	378.081468	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2Na"	45.978436
"1403253"	252.390070666667	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H+2Na"	46.985712
"1437555"	757.197246	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H+HCOOH"	47.012746
"229438"	738.20674	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+3H2O+2H"	56.04448
"1512033"	771.24929	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+IsoProp+H"	61.06479
"417185"	741.160688	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+Na+K"	61.952376
"775995"	1096.252938	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+Na+K"	61.952376
"1673420"	386.068438	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Na+K"	61.952376
"261036"	1484.384768	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+ACN+Na"	64.015768
"1238118"	774.200268	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+ACN+Na"	64.015768
"1724818"	774.223793	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+NH4+HCOOH"	64.039293
"1191994"	259.717384666667	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+3Na"	68.967654
"1661157"	779.179188	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Na+HCOOH"	68.994688
"164736"	1497.28804	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+2K-H"	76.91904
"604298"	2207.47254	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+2K-H"	76.91904
"1092093"	787.10354	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2K-H"	76.91904
"150002"	749.147658	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"2M+2K"	77.926316
"591751"	1104.239908	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"3M+2K"	77.926316
"1070794"	394.055408	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2K"	77.926316
"1102180"	789.118092	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2K+H"	78.933592
"1341480"	789.205707	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+DMSO+H"	79.021207
"1008188"	793.244876	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2ACN+H"	83.060376
"1528139"	794.238508	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+IsoProp+Na+H"	84.054008
"996774"	397.126076	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+2ACN+2H"	84.067652
"1592371"	795.153128	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+K+HCOOH"	84.968628
"1420217"	825.184638	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+H+CF3COOH"	115.000138
"1159254"	417.639351	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+3ACN+2H"	125.094202
"1708807"	842.211185	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+NH4+CF3COOH"	132.026685
"1641178"	847.16658	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+Na+CF3COOH"	136.98208
"1574641"	863.14052	"C20010"	"Anatibant;LF 16-0687"	"C34H36Cl2N6O5S"	"710.1845"	"M+K+CF3COOH"	152.95602
"809381"	1156.4947	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M"	0
"988383"	1137.47631	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-H2O-H"	-19.01839
"64598"	769.989190666667	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M-3H"	-3.021828
"507437"	1155.487424	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M-3H"	-3.021828
"885240"	384.490957333333	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-3H"	-3.021828
"6002"	1155.487424	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M-2H"	-2.014552
"444834"	1733.734774	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M-2H"	-2.014552
"826649"	577.240074	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-2H"	-2.014552
"94185"	2311.982124	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M-H"	-1.007276
"533868"	3468.476824	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M-H"	-1.007276
"911062"	1155.487424	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-H"	-1.007276
"62036"	2329.008671	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M-2H+NH4"	16.019271
"501831"	3485.503371	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M-2H+NH4"	16.019271
"879720"	1172.513971	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-2H+NH4"	16.019271
"46449"	2333.964066	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M-2H+Na"	20.974666
"485394"	3490.458766	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M-2H+Na"	20.974666
"862465"	1177.469366	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-2H+Na"	20.974666
"1631270"	1177.469366	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Na-2H"	20.974666
"100515"	1173.475763	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M-H+Cl"	33.962126
"536794"	1751.723113	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M-H+Cl"	33.962126
"940148"	595.228413	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-H+Cl"	33.962126
"279433"	2347.958802	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+Cl"	34.969402
"664564"	3504.453502	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+Cl"	34.969402
"1281340"	1191.464102	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Cl"	34.969402
"20614"	2349.938006	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M-2H+K"	36.948606
"457988"	3506.432706	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M-2H+K"	36.948606
"840163"	1193.443306	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-2H+K"	36.948606
"1556725"	1193.443306	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+K-2H"	36.948606
"944001"	1201.492894	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-H+HCOOH"	44.998194
"362450"	2357.987601	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+HCOOH-H"	44.998201
"356923"	2372.003251	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+Hac-H"	59.013851
"1508414"	1215.508551	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Hac-H"	59.013851
"973556"	1223.474851	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-H+NaCOOH"	66.980151
"124405"	1191.464102	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+2Cl"	69.938804
"565068"	1769.711452	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+2Cl"	69.938804
"1035690"	613.216752	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2Cl"	69.938804
"1256358"	1235.413585	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Br"	78.918885
"1313697"	1237.469572	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Cl+HCOOH"	80.974872
"1333746"	1259.451529	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Cl+NaCOOH"	102.956829
"925533"	1269.480286	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M-H+CF3COOH"	112.985586
"1300052"	1305.456964	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Cl+CF3COOH"	148.962264
"1376027"	1121.482024	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H-2H2O"	-35.012676
"1394616"	1139.492	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H-H2O"	-17.0027
"292116"	2313.996676	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+H"	1.007276
"686725"	3470.491376	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+H"	1.007276
"1362707"	1157.501976	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H"	1.007276
"135960"	1157.501976	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+2H"	2.014552
"576614"	1735.749326	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+2H"	2.014552
"1045413"	579.254626	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2H"	2.014552
"214407"	772.003742666667	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+3H"	3.021828
"659530"	1157.501976	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+3H"	3.021828
"1176108"	386.505509333333	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+3H"	3.021828
"434280"	2331.023223	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+NH4"	18.033823
"796368"	3487.517923	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+NH4"	18.033823
"1687232"	1174.528523	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+NH4"	18.033823
"342080"	1166.0152495	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+H+NH4"	19.041099
"733772"	1744.2625995	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+H+NH4"	19.041099
"1490143"	587.7678995	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H+NH4"	19.041099
"407730"	2335.978618	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+Na"	22.989218
"767266"	3492.473318	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+Na"	22.989218
"1616093"	1179.483918	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Na"	22.989218
"328806"	1168.492947	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+H+Na"	23.996494
"718552"	1746.740297	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+H+Na"	23.996494
"1466904"	590.245597	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H+Na"	23.996494
"1067688"	393.832823333333	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2H+Na"	25.00377
"1271430"	1189.528186	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+CH3OH+H"	33.033486
"390245"	2351.952558	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+K"	38.963158
"750148"	3508.447258	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+K"	38.963158
"1553295"	1195.457858	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+K"	38.963158
"308288"	1176.479917	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+H+K"	39.970434
"699613"	1754.727267	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+H+K"	39.970434
"1453433"	598.232567	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H+K"	39.970434
"244224"	2355.023226	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+ACN+H"	42.033826
"1216933"	1198.528526	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+ACN+H"	42.033826
"1200817"	599.767901	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+ACN+2H"	43.041102
"190770"	2357.96056	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+2Na-H"	44.97116
"636530"	3514.45526	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+2Na-H"	44.97116
"1142228"	1201.46586	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2Na-H"	44.97116
"180052"	1179.483918	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+2Na"	45.978436
"625080"	1757.731268	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+2Na"	45.978436
"1123119"	601.236568	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2Na"	45.978436
"1403363"	401.160137333333	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H+2Na"	46.985712
"1438760"	1203.507446	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H+HCOOH"	47.012746
"231735"	1184.51694	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+3H2O+2H"	56.04448
"1512143"	1217.55949	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+IsoProp+H"	61.06479
"418389"	1187.470888	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+Na+K"	61.952376
"782665"	1765.718238	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+Na+K"	61.952376
"1677903"	609.223538	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Na+K"	61.952376
"263334"	2377.005168	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+ACN+Na"	64.015768
"1239689"	1220.510468	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+ACN+Na"	64.015768
"1728088"	1220.533993	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+NH4+HCOOH"	64.039293
"1193197"	408.487451333333	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+3Na"	68.967654
"1662361"	1225.489388	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Na+HCOOH"	68.994688
"168127"	2389.90844	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+2K-H"	76.91904
"609876"	3546.40314	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+2K-H"	76.91904
"1091110"	1233.41374	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2K-H"	76.91904
"149019"	1195.457858	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"2M+2K"	77.926316
"588582"	1773.705208	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"3M+2K"	77.926316
"1071268"	617.210508	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2K"	77.926316
"1102655"	1235.428292	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2K+H"	78.933592
"1339405"	1235.515907	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+DMSO+H"	79.021207
"1007204"	1239.555076	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2ACN+H"	83.060376
"1528247"	1240.548708	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+IsoProp+Na+H"	84.054008
"995790"	620.281176	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+2ACN+2H"	84.067652
"1593574"	1241.463328	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+K+HCOOH"	84.968628
"1423607"	1271.494838	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+H+CF3COOH"	115.000138
"1157176"	640.794451	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+3ACN+2H"	125.094202
"1710010"	1288.521385	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+NH4+CF3COOH"	132.026685
"1639101"	1293.47678	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+Na+CF3COOH"	136.98208
"1574751"	1309.45072	"C20011"	"Homoyessotoxin;Yessotoxin 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-"	"C56H84O21S2"	"1156.4947"	"M+K+CF3COOH"	152.95602
"816055"	858.4766	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M"	0
"984122"	839.45821	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-H2O-H"	-19.01839
"65800"	571.310457333333	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M-3H"	-3.021828
"506456"	857.469324	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M-3H"	-3.021828
"884259"	285.151590666667	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-3H"	-3.021828
"9396"	857.469324	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M-2H"	-2.014552
"445677"	1286.707624	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M-2H"	-2.014552
"824572"	428.231024	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-2H"	-2.014552
"93928"	1715.945924	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M-H"	-1.007276
"534194"	2574.422524	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M-H"	-1.007276
"911176"	857.469324	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-H"	-1.007276
"62545"	1732.972471	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M-2H+NH4"	16.019271
"499144"	2591.449071	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M-2H+NH4"	16.019271
"879793"	874.495871	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-2H+NH4"	16.019271
"45702"	1737.927866	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M-2H+Na"	20.974666
"485141"	2596.404466	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M-2H+Na"	20.974666
"862825"	879.451266	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-2H+Na"	20.974666
"1632358"	879.451266	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Na-2H"	20.974666
"104997"	875.457663	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M-H+Cl"	33.962126
"545650"	1304.695963	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M-H+Cl"	33.962126
"942736"	446.219363	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-H+Cl"	33.962126
"281611"	1751.922602	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+Cl"	34.969402
"666862"	2610.399202	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+Cl"	34.969402
"1287405"	893.446002	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Cl"	34.969402
"22912"	1753.901806	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M-2H+K"	36.948606
"466846"	2612.378406	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M-2H+K"	36.948606
"841367"	895.425206	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-2H+K"	36.948606
"1560482"	895.425206	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+K-2H"	36.948606
"947272"	903.474794	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-H+HCOOH"	44.998194
"367675"	1761.951401	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+HCOOH-H"	44.998201
"353753"	1775.967051	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+Hac-H"	59.013851
"1507573"	917.490451	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Hac-H"	59.013851
"973586"	925.456751	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-H+NaCOOH"	66.980151
"124519"	893.446002	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+2Cl"	69.938804
"565654"	1322.684302	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+2Cl"	69.938804
"1036530"	464.207702	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2Cl"	69.938804
"1255736"	937.395485	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Br"	78.918885
"1318187"	939.451472	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Cl+HCOOH"	80.974872
"1333857"	961.433429	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Cl+NaCOOH"	102.956829
"922361"	971.462186	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M-H+CF3COOH"	112.985586
"1295789"	1007.438864	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Cl+CF3COOH"	148.962264
"1376136"	823.463924	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H-2H2O"	-35.012676
"1393632"	841.4739	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H-H2O"	-17.0027
"296237"	1717.960476	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+H"	1.007276
"689753"	2576.437076	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+H"	1.007276
"1364643"	859.483876	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H"	1.007276
"138988"	859.483876	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+2H"	2.014552
"578550"	1288.722176	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+2H"	2.014552
"1050627"	430.245576	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2H"	2.014552
"218777"	573.325009333333	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+3H"	3.021828
"655175"	859.483876	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+3H"	3.021828
"1172207"	287.166142666667	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+3H"	3.021828
"433297"	1734.987023	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+NH4"	18.033823
"797211"	2593.463623	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+NH4"	18.033823
"1694274"	876.510423	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+NH4"	18.033823
"342919"	867.9971495	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+H+NH4"	19.041099
"735706"	1297.2354495	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+H+NH4"	19.041099
"1491348"	438.7588495	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H+NH4"	19.041099
"403466"	1739.942418	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+Na"	22.989218
"762639"	2598.419018	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+Na"	22.989218
"1614018"	881.465818	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Na"	22.989218
"326241"	870.474847	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+H+Na"	23.996494
"718663"	1299.713147	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+H+Na"	23.996494
"1475279"	441.236547	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H+Na"	23.996494
"1068477"	294.493456666667	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2H+Na"	25.00377
"1272735"	891.510086	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+CH3OH+H"	33.033486
"391696"	1755.916358	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+K"	38.963158
"750263"	2614.392958	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+K"	38.963158
"1550125"	897.439758	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+K"	38.963158
"307307"	878.461817	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+H+K"	39.970434
"698631"	1307.700117	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+H+K"	39.970434
"1454639"	449.223517	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H+K"	39.970434
"244334"	1758.987026	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+ACN+H"	42.033826
"1221418"	900.510426	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+ACN+H"	42.033826
"1205302"	450.758851	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+ACN+2H"	43.041102
"197080"	1761.92436	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+2Na-H"	44.97116
"637738"	2620.40096	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+2Na-H"	44.97116
"1142338"	903.44776	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2Na-H"	44.97116
"182350"	881.465818	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+2Na"	45.978436
"623002"	1310.704118	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+2Na"	45.978436
"1119949"	452.227518	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2Na"	45.978436
"1405659"	301.820770666667	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H+2Na"	46.985712
"1437774"	905.489346	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H+HCOOH"	47.012746
"230749"	886.49884	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+3H2O+2H"	56.04448
"1512253"	919.54139	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+IsoProp+H"	61.06479
"417407"	889.452788	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+Na+K"	61.952376
"779495"	1318.691088	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+Na+K"	61.952376
"1676921"	460.214488	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Na+K"	61.952376
"264901"	1780.968968	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+ACN+Na"	64.015768
"1237244"	922.492368	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+ACN+Na"	64.015768
"1723944"	922.515893	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+NH4+HCOOH"	64.039293
"1192215"	309.148084666667	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+3Na"	68.967654
"1661377"	927.471288	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Na+HCOOH"	68.994688
"166054"	1793.87224	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+2K-H"	76.91904
"605615"	2652.34884	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+2K-H"	76.91904
"1089032"	935.39564	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2K-H"	76.91904
"149130"	897.439758	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"2M+2K"	77.926316
"586503"	1326.678058	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"3M+2K"	77.926316
"1071015"	468.201458	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2K"	77.926316
"1102399"	937.410192	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2K+H"	78.933592
"1340611"	937.497807	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+DMSO+H"	79.021207
"1007678"	941.536976	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2ACN+H"	83.060376
"1527263"	942.530608	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+IsoProp+Na+H"	84.054008
"992616"	471.272126	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+2ACN+2H"	84.067652
"1590399"	943.445228	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+K+HCOOH"	84.968628
"1418250"	973.476738	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+H+CF3COOH"	115.000138
"1154005"	491.785401	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+3ACN+2H"	125.094202
"1700278"	990.503285	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+NH4+CF3COOH"	132.026685
"1641398"	995.45868	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+Na+CF3COOH"	136.98208
"1573768"	1011.43262	"C20012"	"Pectenotoxin 2;43-Deoxypectenotoxin 1;PTX 2"	"C47H70O14"	"858.4766"	"M+K+CF3COOH"	152.95602
"809601"	1017.4756	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M"	0
"983138"	998.45721	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-H2O-H"	-19.01839
"64816"	677.309790666667	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M-3H"	-3.021828
"504377"	1016.468324	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M-3H"	-3.021828
"881938"	338.151257333333	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-3H"	-3.021828
"5132"	1016.468324	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M-2H"	-2.014552
"445787"	1525.206124	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M-2H"	-2.014552
"824682"	507.730524	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-2H"	-2.014552
"93306"	2033.943924	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M-H"	-1.007276
"533839"	3051.419524	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M-H"	-1.007276
"910426"	1016.468324	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-H"	-1.007276
"61884"	2050.970471	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M-2H+NH4"	16.019271
"499254"	3068.446071	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M-2H+NH4"	16.019271
"878516"	1033.494871	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-2H+NH4"	16.019271
"45812"	2055.925866	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M-2H+Na"	20.974666
"485251"	3073.401466	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M-2H+Na"	20.974666
"863420"	1038.450266	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-2H+Na"	20.974666
"1633971"	1038.450266	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Na-2H"	20.974666
"109961"	1034.456663	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M-H+Cl"	33.962126
"547947"	1543.194463	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M-H+Cl"	33.962126
"942604"	525.718863	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-H+Cl"	33.962126
"281477"	2069.920602	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+Cl"	34.969402
"669159"	3087.396202	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+Cl"	34.969402
"1287637"	1052.445002	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Cl"	34.969402
"21929"	2071.899806	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M-2H+K"	36.948606
"464770"	3089.375406	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M-2H+K"	36.948606
"839290"	1054.424206	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-2H+K"	36.948606
"1558405"	1054.424206	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+K-2H"	36.948606
"947382"	1062.473794	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-H+HCOOH"	44.998194
"364505"	2079.949401	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+HCOOH-H"	44.998201
"352402"	2093.965051	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+Hac-H"	59.013851
"1507807"	1076.489451	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Hac-H"	59.013851
"973289"	1084.455751	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-H+NaCOOH"	66.980151
"125357"	1052.445002	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+2Cl"	69.938804
"565283"	1561.182802	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+2Cl"	69.938804
"1035181"	543.707202	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2Cl"	69.938804
"1255846"	1096.394485	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Br"	78.918885
"1318659"	1098.450472	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Cl+HCOOH"	80.974872
"1334331"	1120.432429	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Cl+NaCOOH"	102.956829
"922471"	1130.461186	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M-H+CF3COOH"	112.985586
"1295899"	1166.437864	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Cl+CF3COOH"	148.962264
"1374059"	982.462924	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H-2H2O"	-35.012676
"1393742"	1000.4729	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H-H2O"	-17.0027
"294160"	2035.958476	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+H"	1.007276
"689135"	3053.434076	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+H"	1.007276
"1364388"	1018.482876	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H"	1.007276
"140193"	1018.482876	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+2H"	2.014552
"579390"	1527.220676	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+2H"	2.014552
"1050008"	509.745076	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2H"	2.014552
"217912"	679.324342666667	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+3H"	3.021828
"656014"	1018.482876	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+3H"	3.021828
"1170130"	340.165809333333	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+3H"	3.021828
"431221"	2052.985023	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+NH4"	18.033823
"797321"	3070.460623	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+NH4"	18.033823
"1694384"	1035.509423	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+NH4"	18.033823
"341206"	1026.9961495	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+H+NH4"	19.041099
"734720"	1535.7339495	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+H+NH4"	19.041099
"1492187"	518.2583495	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H+NH4"	19.041099
"403576"	2057.940418	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+Na"	22.989218
"763842"	3075.416018	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+Na"	22.989218
"1610846"	1040.464818	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Na"	22.989218
"324164"	1029.473847	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+H+Na"	23.996494
"721569"	1538.211647	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+H+Na"	23.996494
"1475510"	520.736047	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H+Na"	23.996494
"1067745"	347.493123333333	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2H+Na"	25.00377
"1271891"	1050.509086	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+CH3OH+H"	33.033486
"390466"	2073.914358	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+K"	38.963158
"752436"	3091.389958	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+K"	38.963158
"1549141"	1056.438758	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+K"	38.963158
"309603"	1037.460817	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+H+K"	39.970434
"698741"	1546.198617	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+H+K"	39.970434
"1454749"	528.723017	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H+K"	39.970434
"241164"	2076.985026	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+ACN+H"	42.033826
"1224323"	1059.509426	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+ACN+H"	42.033826
"1206505"	530.258351	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+ACN+2H"	43.041102
"200470"	2079.92236	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+2Na-H"	44.97116
"638941"	3097.39796	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+2Na-H"	44.97116
"1144270"	1062.44676	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2Na-H"	44.97116
"182460"	1040.464818	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+2Na"	45.978436
"624935"	1549.202618	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+2Na"	45.978436
"1123339"	531.727018	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2Na"	45.978436
"1410143"	354.820437333333	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H+2Na"	46.985712
"1443352"	1064.488346	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H+HCOOH"	47.012746
"234505"	1045.49784	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+3H2O+2H"	56.04448
"1517830"	1078.54039	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+IsoProp+H"	61.06479
"420797"	1048.451788	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+Na+K"	61.952376
"781792"	1557.189588	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+Na+K"	61.952376
"1679219"	539.713988	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Na+K"	61.952376
"266796"	2098.966968	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+ACN+Na"	64.015768
"1240637"	1081.491368	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+ACN+Na"	64.015768
"1724054"	1081.514893	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+NH4+HCOOH"	64.039293
"1193747"	362.147751333333	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+3Na"	68.967654
"1662580"	1086.470288	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Na+HCOOH"	68.994688
"168351"	2111.87024	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+2K-H"	76.91904
"611192"	3129.34584	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+2K-H"	76.91904
"1091329"	1094.39464	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2K-H"	76.91904
"151426"	1056.438758	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"2M+2K"	77.926316
"588799"	1565.176558	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"3M+2K"	77.926316
"1072218"	547.700958	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2K"	77.926316
"1102266"	1096.409192	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2K+H"	78.933592
"1342907"	1096.496807	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+DMSO+H"	79.021207
"1007424"	1100.535976	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2ACN+H"	83.060376
"1527373"	1101.529608	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+IsoProp+Na+H"	84.054008
"991753"	550.771626	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+2ACN+2H"	84.067652
"1590508"	1102.444228	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+K+HCOOH"	84.968628
"1418360"	1132.475738	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+H+CF3COOH"	115.000138
"1154115"	571.284901	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+3ACN+2H"	125.094202
"1700388"	1149.502285	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+NH4+CF3COOH"	132.026685
"1641508"	1154.45768	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+Na+CF3COOH"	136.98208
"1573878"	1170.43162	"C20013"	"Brevetoxin B1"	"C52H75NO17S"	"1017.4756"	"M+K+CF3COOH"	152.95602
"809711"	1033.5069	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M"	0
"979970"	1014.48851	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-H2O-H"	-19.01839
"63835"	687.997324	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M-3H"	-3.021828
"506677"	1032.499624	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M-3H"	-3.021828
"885574"	343.495024	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-3H"	-3.021828
"2447"	1032.499624	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M-2H"	-2.014552
"446992"	1549.253074	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M-2H"	-2.014552
"820419"	515.746174	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-2H"	-2.014552
"91349"	2066.006524	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M-H"	-1.007276
"532003"	3099.513424	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M-H"	-1.007276
"909562"	1032.499624	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-H"	-1.007276
"59806"	2083.033071	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M-2H+NH4"	16.019271
"500460"	3116.539971	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M-2H+NH4"	16.019271
"873887"	1049.526171	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-2H+NH4"	16.019271
"42883"	2087.988466	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M-2H+Na"	20.974666
"485726"	3121.495366	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M-2H+Na"	20.974666
"862436"	1054.481566	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-2H+Na"	20.974666
"1633674"	1054.481566	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Na-2H"	20.974666
"109635"	1050.487963	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M-H+Cl"	33.962126
"544774"	1567.241413	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M-H+Cl"	33.962126
"941572"	533.734513	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-H+Cl"	33.962126
"279034"	2101.983202	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+Cl"	34.969402
"674252"	3135.490102	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+Cl"	34.969402
"1282764"	1068.476302	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Cl"	34.969402
"25321"	2103.962406	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M-2H+K"	36.948606
"462694"	3137.469306	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M-2H+K"	36.948606
"836122"	1070.455506	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-2H+K"	36.948606
"1560701"	1070.455506	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+K-2H"	36.948606
"949679"	1078.505094	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-H+HCOOH"	44.998194
"364616"	2112.012001	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+HCOOH-H"	44.998201
"351783"	2126.027651	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+Hac-H"	59.013851
"1507796"	1092.520751	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Hac-H"	59.013851
"973326"	1100.487051	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-H+NaCOOH"	66.980151
"125351"	1068.476302	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+2Cl"	69.938804
"565113"	1585.229752	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+2Cl"	69.938804
"1035284"	551.722852	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2Cl"	69.938804
"1250485"	1112.425785	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Br"	78.918885
"1319378"	1114.481772	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Cl+HCOOH"	80.974872
"1331523"	1136.463729	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Cl+NaCOOH"	102.956829
"921488"	1146.492486	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M-H+CF3COOH"	112.985586
"1294915"	1182.469164	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Cl+CF3COOH"	148.962264
"1376356"	998.494224	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H-2H2O"	-35.012676
"1393489"	1016.5042	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H-H2O"	-17.0027
"289166"	2068.021076	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+H"	1.007276
"686328"	3101.527976	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+H"	1.007276
"1361218"	1034.514176	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H"	1.007276
"139942"	1034.514176	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+2H"	2.014552
"579136"	1551.267626	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+2H"	2.014552
"1051947"	517.760726	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2H"	2.014552
"217295"	690.011876	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+3H"	3.021828
"657581"	1034.514176	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+3H"	3.021828
"1170240"	345.509576	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+3H"	3.021828
"433518"	2085.047623	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+NH4"	18.033823
"798527"	3118.554523	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+NH4"	18.033823
"1692672"	1051.540723	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+NH4"	18.033823
"341316"	1043.0274495	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+H+NH4"	19.041099
"737627"	1559.7808995	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+H+NH4"	19.041099
"1491568"	526.2739995	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H+NH4"	19.041099
"404049"	2090.003018	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+Na"	22.989218
"766867"	3123.509918	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+Na"	22.989218
"1614238"	1056.496118	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Na"	22.989218
"327554"	1045.505147	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+H+Na"	23.996494
"722044"	1562.258597	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+H+Na"	23.996494
"1475378"	528.751697	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H+Na"	23.996494
"1068222"	352.83689	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2H+Na"	25.00377
"1271759"	1066.540386	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+CH3OH+H"	33.033486
"390577"	2105.976958	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+K"	38.963158
"751574"	3139.483858	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+K"	38.963158
"1549251"	1072.470058	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+K"	38.963158
"312629"	1053.492117	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+H+K"	39.970434
"697758"	1570.245567	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+H+K"	39.970434
"1455953"	536.738667	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H+K"	39.970434
"247837"	2109.047626	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+ACN+H"	42.033826
"1221641"	1075.540726	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+ACN+H"	42.033826
"1206618"	538.274001	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+ACN+2H"	43.041102
"199487"	2111.98496	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+2Na-H"	44.97116
"639052"	3145.49186	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+2Na-H"	44.97116
"1144380"	1078.47806	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2Na-H"	44.97116
"185851"	1056.496118	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+2Na"	45.978436
"622859"	1573.249568	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+2Na"	45.978436
"1125637"	539.742668	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2Na"	45.978436
"1410983"	360.164204	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H+2Na"	46.985712
"1443099"	1080.519646	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H+HCOOH"	47.012746
"233887"	1061.52914	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+3H2O+2H"	56.04448
"1520128"	1094.57169	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+IsoProp+H"	61.06479
"420907"	1064.483088	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+Na+K"	61.952376
"784823"	1581.236538	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+Na+K"	61.952376
"1680428"	547.729638	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Na+K"	61.952376
"257102"	2131.029568	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+ACN+Na"	64.015768
"1238194"	1097.522668	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+ACN+Na"	64.015768
"1721977"	1097.546193	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+NH4+HCOOH"	64.039293
"1193694"	367.491518	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+3Na"	68.967654
"1661599"	1102.501588	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Na+HCOOH"	68.994688
"166274"	2143.93284	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+2K-H"	76.91904
"606927"	3177.43974	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+2K-H"	76.91904
"1090345"	1110.42594	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2K-H"	76.91904
"146068"	1072.470058	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"2M+2K"	77.926316
"583803"	1589.223508	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"3M+2K"	77.926316
"1073418"	555.716608	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2K"	77.926316
"1104442"	1112.440492	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2K+H"	78.933592
"1339736"	1112.528107	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+DMSO+H"	79.021207
"1010455"	1116.567276	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2ACN+H"	83.060376
"1529671"	1117.560908	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+IsoProp+Na+H"	84.054008
"996122"	558.787276	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+2ACN+2H"	84.067652
"1588799"	1118.475528	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+K+HCOOH"	84.968628
"1415915"	1148.507038	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+H+CF3COOH"	115.000138
"1152038"	579.300551	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+3ACN+2H"	125.094202
"1699406"	1165.533585	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+NH4+CF3COOH"	132.026685
"1641618"	1170.48898	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+Na+CF3COOH"	136.98208
"1572164"	1186.46292	"C20014"	"Brevetoxin B2"	"C53H79NO17S"	"1033.5069"	"M+K+CF3COOH"	152.95602
"809821"	916.4376	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M"	0
"983359"	897.41921	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-H2O-H"	-19.01839
"67227"	609.951124	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M-3H"	-3.021828
"506058"	915.430324	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M-3H"	-3.021828
"884591"	304.471924	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-3H"	-3.021828
"2436"	915.430324	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M-2H"	-2.014552
"447102"	1373.649124	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M-2H"	-2.014552
"823808"	457.211524	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-2H"	-2.014552
"91459"	1831.867924	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M-H"	-1.007276
"531750"	2748.305524	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M-H"	-1.007276
"906634"	915.430324	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-H"	-1.007276
"56636"	1848.894471	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M-2H+NH4"	16.019271
"500209"	2765.332071	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M-2H+NH4"	16.019271
"875091"	932.456871	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-2H+NH4"	16.019271
"44332"	1853.849866	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M-2H+Na"	20.974666
"485958"	2770.287466	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M-2H+Na"	20.974666
"863519"	937.412266	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-2H+Na"	20.974666
"1633178"	937.412266	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Na-2H"	20.974666
"109464"	933.418663	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M-H+Cl"	33.962126
"542698"	1391.637463	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M-H+Cl"	33.962126
"939494"	475.199863	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-H+Cl"	33.962126
"279874"	1867.844602	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+Cl"	34.969402
"673266"	2784.282202	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+Cl"	34.969402
"1280687"	951.407002	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Cl"	34.969402
"27618"	1869.823806	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M-2H+K"	36.948606
"460617"	2786.261406	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M-2H+K"	36.948606
"836232"	953.386206	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-2H+K"	36.948606
"1558626"	953.386206	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+K-2H"	36.948606
"949789"	961.435794	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-H+HCOOH"	44.998194
"366913"	1877.873401	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+HCOOH-H"	44.998201
"351893"	1891.889051	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+Hac-H"	59.013851
"1508257"	975.451451	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Hac-H"	59.013851
"973393"	983.417751	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-H+NaCOOH"	66.980151
"125541"	951.407002	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+2Cl"	69.938804
"565468"	1409.625802	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+2Cl"	69.938804
"1036125"	493.188202	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2Cl"	69.938804
"1250594"	995.356485	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Br"	78.918885
"1319244"	997.412472	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Cl+HCOOH"	80.974872
"1330540"	1019.394429	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Cl+NaCOOH"	102.956829
"922691"	1029.423186	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M-H+CF3COOH"	112.985586
"1298306"	1065.399864	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Cl+CF3COOH"	148.962264
"1380843"	881.424924	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H-2H2O"	-35.012676
"1391776"	899.4349	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H-H2O"	-17.0027
"287089"	1833.882476	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+H"	1.007276
"686072"	2750.320076	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+H"	1.007276
"1361328"	917.444876	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H"	1.007276
"138229"	917.444876	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+2H"	2.014552
"578152"	1375.663676	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+2H"	2.014552
"1050962"	459.226076	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2H"	2.014552
"216313"	611.965676	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+3H"	3.021828
"656966"	917.444876	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+3H"	3.021828
"1171446"	306.486476	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+3H"	3.021828
"436544"	1850.909023	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+NH4"	18.033823
"796448"	2767.346623	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+NH4"	18.033823
"1693146"	934.471423	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+NH4"	18.033823
"340331"	925.9581495	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+H+NH4"	19.041099
"736642"	1384.1769495	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+H+NH4"	19.041099
"1492171"	467.7393495	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H+NH4"	19.041099
"406956"	1855.864418	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+Na"	22.989218
"768071"	2772.302018	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+Na"	22.989218
"1617144"	939.426818	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Na"	22.989218
"328273"	928.435847	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+H+Na"	23.996494
"721911"	1386.654647	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+H+Na"	23.996494
"1475488"	470.217047	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H+Na"	23.996494
"1068171"	313.81379	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2H+Na"	25.00377
"1272236"	949.471086	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+CH3OH+H"	33.033486
"388500"	1871.838358	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+K"	38.963158
"751684"	2788.275958	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+K"	38.963158
"1549361"	955.400758	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+K"	38.963158
"310916"	936.422817	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+H+K"	39.970434
"697868"	1394.641617	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+H+K"	39.970434
"1456063"	478.204017	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H+K"	39.970434
"247947"	1874.909026	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+ACN+H"	42.033826
"1222844"	958.471426	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+ACN+H"	42.033826
"1206728"	479.739351	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+ACN+2H"	43.041102
"198504"	1877.84636	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+2Na-H"	44.97116
"638070"	2794.28396	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+2Na-H"	44.97116
"1140482"	961.40876	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2Na-H"	44.97116
"183775"	939.426818	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+2Na"	45.978436
"621147"	1397.645618	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+2Na"	45.978436
"1126840"	481.208018	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2Na"	45.978436
"1409271"	321.141104	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H+2Na"	46.985712
"1442845"	963.450346	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H+HCOOH"	47.012746
"232175"	944.45984	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+3H2O+2H"	56.04448
"1521332"	977.50239	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+IsoProp+H"	61.06479
"423569"	947.413788	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+Na+K"	61.952376
"782380"	1405.632588	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+Na+K"	61.952376
"1677254"	489.194988	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Na+K"	61.952376
"257212"	1896.890968	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+ACN+Na"	64.015768
"1236481"	980.453368	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+ACN+Na"	64.015768
"1719900"	980.476893	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+NH4+HCOOH"	64.039293
"1188535"	328.468418	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+3Na"	68.967654
"1660616"	985.432288	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Na+HCOOH"	68.994688
"165291"	1909.79424	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+2K-H"	76.91904
"607038"	2826.23184	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+2K-H"	76.91904
"1090456"	993.35664	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2K-H"	76.91904
"144355"	955.400758	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"2M+2K"	77.926316
"584279"	1413.619558	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"3M+2K"	77.926316
"1072436"	497.181958	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2K"	77.926316
"1102000"	995.371192	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2K+H"	78.933592
"1340940"	995.458807	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+DMSO+H"	79.021207
"1011658"	999.497976	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2ACN+H"	83.060376
"1528689"	1000.491608	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+IsoProp+Na+H"	84.054008
"997325"	500.252626	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+2ACN+2H"	84.067652
"1588545"	1001.406228	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+K+HCOOH"	84.968628
"1416392"	1031.437738	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+H+CF3COOH"	115.000138
"1148870"	520.765901	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+3ACN+2H"	125.094202
"1700609"	1048.464285	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+NH4+CF3COOH"	132.026685
"1641728"	1053.41968	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+Na+CF3COOH"	136.98208
"1571911"	1069.39362	"C20015"	"Brevetoxin C;Brevetoxin B 43-chloro-41-deformyl-4143-dihydro-41-oxo-"	"C49H69ClO14"	"916.4376"	"M+K+CF3COOH"	152.95602
"812118"	490.2931	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M"	0
"984562"	471.27471	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-H2O-H"	-19.01839
"67337"	325.854790666667	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M-3H"	-3.021828
"506897"	489.285824	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M-3H"	-3.021828
"885794"	162.423757333333	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-3H"	-3.021828
"4369"	489.285824	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M-2H"	-2.014552
"447212"	734.432374	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M-2H"	-2.014552
"826104"	244.139274	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-2H"	-2.014552
"88289"	979.578924	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M-H"	-1.007276
"531982"	1469.872024	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M-H"	-1.007276
"909540"	489.285824	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-H"	-1.007276
"56746"	996.605471	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M-2H+NH4"	16.019271
"500076"	1486.898571	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M-2H+NH4"	16.019271
"878606"	506.312371	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-2H+NH4"	16.019271
"43103"	1001.560866	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M-2H+Na"	20.974666
"482663"	1491.853966	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M-2H+Na"	20.974666
"861561"	511.267766	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-2H+Na"	20.974666
"1632193"	511.267766	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Na-2H"	20.974666
"108602"	507.274163	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M-H+Cl"	33.962126
"546095"	752.420713	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M-H+Cl"	33.962126
"940577"	262.127613	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-H+Cl"	33.962126
"280348"	1015.555602	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+Cl"	34.969402
"673619"	1505.848702	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+Cl"	34.969402
"1284077"	525.262502	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Cl"	34.969402
"26635"	1017.534806	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M-2H+K"	36.948606
"459634"	1507.827906	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M-2H+K"	36.948606
"835249"	527.241706	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-2H+K"	36.948606
"1557643"	527.241706	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+K-2H"	36.948606
"948806"	535.291294	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-H+HCOOH"	44.998194
"367023"	1025.584401	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+HCOOH-H"	44.998201
"349815"	1039.600051	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+Hac-H"	59.013851
"1507866"	549.306951	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Hac-H"	59.013851
"973262"	557.273251	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-H+NaCOOH"	66.980151
"125564"	525.262502	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+2Cl"	69.938804
"565130"	770.409052	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+2Cl"	69.938804
"1035870"	280.115952	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2Cl"	69.938804
"1256418"	569.211985	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Br"	78.918885
"1319109"	571.267972	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Cl+HCOOH"	80.974872
"1331015"	593.249929	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Cl+NaCOOH"	102.956829
"920614"	603.278686	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M-H+CF3COOH"	112.985586
"1299875"	639.255364	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Cl+CF3COOH"	148.962264
"1381075"	455.280424	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H-2H2O"	-35.012676
"1390792"	473.2904	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H-H2O"	-17.0027
"293761"	981.593476	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+H"	1.007276
"683995"	1471.886576	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+H"	1.007276
"1365085"	491.300376	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H"	1.007276
"137610"	491.300376	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+2H"	2.014552
"578993"	736.446926	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+2H"	2.014552
"1049251"	246.153826	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2H"	2.014552
"217514"	327.869342666667	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+3H"	3.021828
"656347"	491.300376	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+3H"	3.021828
"1167180"	164.438309333333	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+3H"	3.021828
"436654"	998.620023	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+NH4"	18.033823
"797287"	1488.913123	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+NH4"	18.033823
"1696051"	508.326923	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+NH4"	18.033823
"340441"	499.8136495	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+H+NH4"	19.041099
"736509"	744.9601995	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+H+NH4"	19.041099
"1491427"	254.6670995	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H+NH4"	19.041099
"407675"	1003.575418	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+Na"	22.989218
"768181"	1493.868518	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+Na"	22.989218
"1616404"	513.282318	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Na"	22.989218
"329114"	502.291347	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+H+Na"	23.996494
"722024"	747.437897	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+H+Na"	23.996494
"1469642"	257.144797	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H+Na"	23.996494
"1065075"	171.765623333333	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2H+Na"	25.00377
"1271128"	523.326586	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+CH3OH+H"	33.033486
"386423"	1019.549358	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+K"	38.963158
"745232"	1509.842458	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+K"	38.963158
"1546188"	529.256258	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+K"	38.963158
"311755"	510.278317	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+H+K"	39.970434
"700165"	755.424867	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+H+K"	39.970434
"1455080"	265.131767	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H+K"	39.970434
"249150"	1022.620026	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+ACN+H"	42.033826
"1219674"	532.326926	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+ACN+H"	42.033826
"1204651"	266.667101	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+ACN+2H"	43.041102
"199707"	1025.55736	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+2Na-H"	44.97116
"637086"	1515.85046	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+2Na-H"	44.97116
"1138403"	535.26426	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2Na-H"	44.97116
"182428"	513.282318	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+2Na"	45.978436
"623444"	758.428868	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+2Na"	45.978436
"1124764"	268.135768	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2Na"	45.978436
"1410841"	179.092937333333	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H+2Na"	46.985712
"1442228"	537.305846	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H+HCOOH"	47.012746
"234474"	518.31534	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+3H2O+2H"	56.04448
"1522902"	551.35789	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+IsoProp+H"	61.06479
"422223"	521.269288	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+Na+K"	61.952376
"784313"	766.415838	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+Na+K"	61.952376
"1678093"	276.122738	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Na+K"	61.952376
"261332"	1044.601968	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+ACN+Na"	64.015768
"1236229"	554.308868	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+ACN+Na"	64.015768
"1721104"	554.332393	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+NH4+HCOOH"	64.039293
"1191562"	186.420251333333	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+3Na"	68.967654
"1661818"	559.287788	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Na+HCOOH"	68.994688
"167587"	1057.50524	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+2K-H"	76.91904
"608241"	1547.79834	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+2K-H"	76.91904
"1089472"	567.21214	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2K-H"	76.91904
"148475"	529.256258	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"2M+2K"	77.926316
"585118"	774.402808	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"3M+2K"	77.926316
"1072546"	284.109708	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2K"	77.926316
"1103933"	569.226692	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2K+H"	78.933592
"1343236"	569.314307	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+DMSO+H"	79.021207
"1009582"	573.353476	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2ACN+H"	83.060376
"1527339"	574.347108	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+IsoProp+Na+H"	84.054008
"993059"	287.180376	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+2ACN+2H"	84.067652
"1590840"	575.261728	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+K+HCOOH"	84.968628
"1416498"	605.293238	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+H+CF3COOH"	115.000138
"1148978"	307.693651	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+3ACN+2H"	125.094202
"1699624"	622.319785	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+NH4+CF3COOH"	132.026685
"1637463"	627.27518	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+Na+CF3COOH"	136.98208
"1572385"	643.24912	"C20016"	"Hemibrevetoxin B"	"C28H42O7"	"490.2931"	"M+K+CF3COOH"	152.95602
"810041"	528.2359	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M"	0
"982485"	509.21751	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-H2O-H"	-19.01839
"70727"	351.149990666667	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M-3H"	-3.021828
"508100"	527.228624	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M-3H"	-3.021828
"883717"	175.071357333333	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-3H"	-3.021828
"4478"	527.228624	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M-2H"	-2.014552
"448415"	791.346574	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M-2H"	-2.014552
"826214"	263.110674	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-2H"	-2.014552
"91679"	1055.464524	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M-H"	-1.007276
"533550"	1583.700424	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M-H"	-1.007276
"911156"	527.228624	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-H"	-1.007276
"56856"	1072.491071	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M-2H+NH4"	16.019271
"502251"	1600.726971	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M-2H+NH4"	16.019271
"879530"	544.255171	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-2H+NH4"	16.019271
"43213"	1077.446466	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M-2H+Na"	20.974666
"483866"	1605.682366	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M-2H+Na"	20.974666
"863373"	549.210566	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-2H+Na"	20.974666
"1632667"	549.210566	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Na-2H"	20.974666
"108468"	545.216963	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M-H+Cl"	33.962126
"548271"	809.334913	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M-H+Cl"	33.962126
"940808"	281.099013	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-H+Cl"	33.962126
"281187"	1091.441202	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+Cl"	34.969402
"673971"	1619.677102	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+Cl"	34.969402
"1284187"	563.205302	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Cl"	34.969402
"27838"	1093.420406	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M-2H+K"	36.948606
"459743"	1621.656306	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M-2H+K"	36.948606
"840826"	565.184506	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-2H+K"	36.948606
"1561031"	565.184506	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+K-2H"	36.948606
"948916"	573.234094	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-H+HCOOH"	44.998194
"367132"	1101.470001	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+HCOOH-H"	44.998201
"349197"	1115.485651	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+Hac-H"	59.013851
"1508315"	587.249751	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Hac-H"	59.013851
"974056"	595.216051	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-H+NaCOOH"	66.980151
"125314"	563.205302	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+2Cl"	69.938804
"565444"	827.323252	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+2Cl"	69.938804
"1036225"	299.087352	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2Cl"	69.938804
"1255920"	607.154785	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Br"	78.918885
"1318731"	609.210772	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Cl+HCOOH"	80.974872
"1334039"	631.192729	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Cl+NaCOOH"	102.956829
"922547"	641.221486	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M-H+CF3COOH"	112.985586
"1302171"	677.198164	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Cl+CF3COOH"	148.962264
"1382034"	493.223224	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H-2H2O"	-35.012676
"1394549"	511.2332	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H-H2O"	-17.0027
"293507"	1057.479076	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+H"	1.007276
"683377"	1585.714976	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+H"	1.007276
"1364466"	529.243176	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H"	1.007276
"138449"	529.243176	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+2H"	2.014552
"578010"	793.361126	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+2H"	2.014552
"1050816"	265.125226	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2H"	2.014552
"216896"	353.164542666667	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+3H"	3.021828
"654634"	529.243176	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+3H"	3.021828
"1167289"	177.085909333333	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+3H"	3.021828
"435307"	1074.505623	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+NH4"	18.033823
"794845"	1602.741523	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+NH4"	18.033823
"1696647"	546.269723	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+NH4"	18.033823
"340551"	537.7564495	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+H+NH4"	19.041099
"736619"	801.8743995	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+H+NH4"	19.041099
"1491781"	273.6384995	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H+NH4"	19.041099
"407297"	1079.461018	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+Na"	22.989218
"769021"	1607.696918	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+Na"	22.989218
"1617855"	551.225118	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Na"	22.989218
"329589"	540.234147	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+H+Na"	23.996494
"720305"	804.352097	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+H+Na"	23.996494
"1469752"	276.116197	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H+Na"	23.996494
"1064091"	184.413223333333	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2H+Na"	25.00377
"1266863"	561.269386	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+CH3OH+H"	33.033486
"385441"	1095.434958	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+K"	38.963158
"743155"	1623.670858	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+K"	38.963158
"1544476"	567.199058	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+K"	38.963158
"313322"	548.221117	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+H+K"	39.970434
"699182"	812.339067	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+H+K"	39.970434
"1459563"	284.103167	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H+K"	39.970434
"249260"	1098.505626	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+ACN+H"	42.033826
"1223064"	570.269726	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+ACN+H"	42.033826
"1204760"	285.638501	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+ACN+2H"	43.041102
"197630"	1101.44296	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+2Na-H"	44.97116
"640474"	1629.67886	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+2Na-H"	44.97116
"1139606"	573.20706	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2Na-H"	44.97116
"183631"	551.225118	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+2Na"	45.978436
"623554"	815.343068	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+2Na"	45.978436
"1125965"	287.107168	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2Na"	45.978436
"1409125"	191.740537333333	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H+2Na"	46.985712
"1436503"	575.248646	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H+HCOOH"	47.012746
"231301"	556.25814	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+3H2O+2H"	56.04448
"1522647"	589.30069	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+IsoProp+H"	61.06479
"420145"	559.212088	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+Na+K"	61.952376
"780778"	823.330038	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+Na+K"	61.952376
"1677110"	295.094138	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Na+K"	61.952376
"260350"	1120.487568	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+ACN+Na"	64.015768
"1239619"	592.251668	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+ACN+Na"	64.015768
"1720849"	592.275193	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+NH4+HCOOH"	64.039293
"1193253"	199.067851333333	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+3Na"	68.967654
"1659742"	597.230588	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Na+HCOOH"	68.994688
"167697"	1133.39084	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+2K-H"	76.91904
"606164"	1661.62674	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+2K-H"	76.91904
"1089582"	605.15494	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2K-H"	76.91904
"148585"	567.199058	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"2M+2K"	77.926316
"584865"	831.317008	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"3M+2K"	77.926316
"1072657"	303.081108	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2K"	77.926316
"1102950"	607.169492	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2K+H"	78.933592
"1341160"	607.257107	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+DMSO+H"	79.021207
"1009692"	611.296276	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2ACN+H"	83.060376
"1526841"	612.289908	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+IsoProp+Na+H"	84.054008
"992075"	306.151776	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+2ACN+2H"	84.067652
"1589857"	613.204528	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+K+HCOOH"	84.968628
"1415515"	643.236038	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+H+CF3COOH"	115.000138
"1147992"	326.665051	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+3ACN+2H"	125.094202
"1699004"	660.262585	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+NH4+CF3COOH"	132.026685
"1638666"	665.21798	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+Na+CF3COOH"	136.98208
"1572495"	681.19192	"C20017"	"Satratoxin H"	"C29H36O9"	"528.2359"	"M+K+CF3COOH"	152.95602
"809058"	379.091	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M"	0
"982595"	360.07261	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-H2O-H"	-19.01839
"73024"	251.720057333333	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M-3H"	-3.021828
"507117"	378.083724	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M-3H"	-3.021828
"883827"	125.356390666667	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-3H"	-3.021828
"579"	378.083724	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M-2H"	-2.014552
"447432"	567.629224	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M-2H"	-2.014552
"824139"	188.538224	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-2H"	-2.014552
"89602"	757.174724	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M-H"	-1.007276
"531350"	1136.265724	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M-H"	-1.007276
"910123"	378.083724	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-H"	-1.007276
"53686"	774.201271	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M-2H+NH4"	16.019271
"499806"	1153.292271	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M-2H+NH4"	16.019271
"879674"	395.110271	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-2H+NH4"	16.019271
"42230"	779.156666	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M-2H+Na"	20.974666
"481790"	1158.247666	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M-2H+Na"	20.974666
"862512"	400.065666	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-2H+Na"	20.974666
"1631318"	400.065666	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Na-2H"	20.974666
"105661"	396.072063	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M-H+Cl"	33.962126
"547406"	585.617563	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M-H+Cl"	33.962126
"940917"	206.526563	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-H+Cl"	33.962126
"279475"	793.151402	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+Cl"	34.969402
"671894"	1172.242402	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+Cl"	34.969402
"1283204"	414.060402	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Cl"	34.969402
"24668"	795.130606	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M-2H+K"	36.948606
"458031"	1174.221606	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M-2H+K"	36.948606
"837656"	416.039606	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-2H+K"	36.948606
"1558955"	416.039606	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+K-2H"	36.948606
"944652"	424.089194	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-H+HCOOH"	44.998194
"368336"	803.180201	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+HCOOH-H"	44.998201
"348941"	817.195851	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+Hac-H"	59.013851
"1507767"	438.104851	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Hac-H"	59.013851
"973649"	446.071151	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-H+NaCOOH"	66.980151
"125592"	414.060402	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+2Cl"	69.938804
"565512"	603.605902	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+2Cl"	69.938804
"1036453"	224.514902	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2Cl"	69.938804
"1256030"	458.009885	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Br"	78.918885
"1318842"	460.065872	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Cl+HCOOH"	80.974872
"1333058"	482.047829	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Cl+NaCOOH"	102.956829
"925209"	492.076586	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M-H+CF3COOH"	112.985586
"1303378"	528.053264	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Cl+CF3COOH"	148.962264
"1380442"	344.078324	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H-2H2O"	-35.012676
"1394292"	362.0883	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H-H2O"	-17.0027
"293617"	759.189276	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+H"	1.007276
"683122"	1138.280276	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+H"	1.007276
"1364575"	380.098276	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H"	1.007276
"137465"	380.098276	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+2H"	2.014552
"578484"	569.643776	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+2H"	2.014552
"1052020"	190.552776	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2H"	2.014552
"217005"	253.734609333333	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+3H"	3.021828
"655474"	380.098276	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+3H"	3.021828
"1167399"	127.370942666667	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+3H"	3.021828
"432863"	776.215823	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+NH4"	18.033823
"793861"	1155.306823	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+NH4"	18.033823
"1696272"	397.124823	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+NH4"	18.033823
"343214"	388.6115495	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+H+NH4"	19.041099
"736729"	578.1570495	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+H+NH4"	19.041099
"1492010"	199.0660495	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H+NH4"	19.041099
"408448"	781.171218	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+Na"	22.989218
"768765"	1160.262218	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+Na"	22.989218
"1616501"	402.080218	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Na"	22.989218
"323620"	391.089247	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+H+Na"	23.996494
"712031"	580.634747	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+H+Na"	23.996494
"1462812"	201.543747	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H+Na"	23.996494
"1063108"	134.698256666667	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2H+Na"	25.00377
"1265879"	412.124486	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+CH3OH+H"	33.033486
"383362"	797.145158	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+K"	38.963158
"742171"	1176.236158	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+K"	38.963158
"1544586"	418.054158	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+K"	38.963158
"302495"	399.076217	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+H+K"	39.970434
"697102"	588.621717	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+H+K"	39.970434
"1453110"	209.530717	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H+K"	39.970434
"241714"	800.215826	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+ACN+H"	42.033826
"1217706"	421.124826	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+ACN+H"	42.033826
"1201590"	211.066051	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+ACN+2H"	43.041102
"191543"	803.15316	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+2Na-H"	44.97116
"639491"	1182.24416	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+2Na-H"	44.97116
"1137528"	424.06216	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2Na-H"	44.97116
"183741"	402.080218	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+2Na"	45.978436
"621841"	591.625718	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+2Na"	45.978436
"1124252"	212.534718	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2Na"	45.978436
"1407776"	142.025570666667	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H+2Na"	46.985712
"1436612"	426.103746	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H+HCOOH"	47.012746
"231775"	407.11324	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+3H2O+2H"	56.04448
"1518015"	440.15579	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+IsoProp+H"	61.06479
"420619"	410.067188	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+Na+K"	61.952376
"779064"	599.612688	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+Na+K"	61.952376
"1677219"	220.521688	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Na+K"	61.952376
"261554"	822.197768	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+ACN+Na"	64.015768
"1236449"	443.106768	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+ACN+Na"	64.015768
"1720959"	443.130293	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+NH4+HCOOH"	64.039293
"1192511"	149.352884666667	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+3Na"	68.967654
"1660945"	448.085688	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Na+HCOOH"	68.994688
"163433"	835.10104	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+2K-H"	76.91904
"604087"	1214.19204	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+2K-H"	76.91904
"1088233"	456.01004	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2K-H"	76.91904
"146508"	418.054158	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"2M+2K"	77.926316
"585703"	607.599658	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"3M+2K"	77.926316
"1073130"	228.508658	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2K"	77.926316
"1103060"	458.024592	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2K+H"	78.933592
"1341270"	458.112207	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+DMSO+H"	79.021207
"1009069"	462.151376	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2ACN+H"	83.060376
"1531205"	463.145008	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+IsoProp+Na+H"	84.054008
"992549"	231.579326	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+2ACN+2H"	84.067652
"1587779"	464.059628	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+K+HCOOH"	84.968628
"1414532"	494.091138	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+H+CF3COOH"	115.000138
"1147738"	252.092601	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+3ACN+2H"	125.094202
"1698021"	511.117685	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+NH4+CF3COOH"	132.026685
"1636589"	516.07308	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+Na+CF3COOH"	136.98208
"1572605"	532.04702	"C20018"	"Gonyautoxin 5;Gonyautoxin V;GTX5;Toxin B1"	"C10H17N7O7S"	"379.091"	"M+K+CF3COOH"	152.95602
"810261"	395.0859	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M"	0
"981612"	376.06751	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-H2O-H"	-19.01839
"69854"	262.383324	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M-3H"	-3.021828
"506134"	394.078624	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M-3H"	-3.021828
"883937"	130.688024	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-3H"	-3.021828
"1418"	394.078624	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M-2H"	-2.014552
"448635"	591.621574	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M-2H"	-2.014552
"824249"	196.535674	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-2H"	-2.014552
"88619"	789.164524	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M-H"	-1.007276
"529273"	1184.250424	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M-H"	-1.007276
"910761"	394.078624	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-H"	-1.007276
"53796"	806.191071	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M-2H+NH4"	16.019271
"501010"	1201.276971	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M-2H+NH4"	16.019271
"876625"	411.105171	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-2H+NH4"	16.019271
"44527"	811.146466	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M-2H+Na"	20.974666
"485182"	1206.232366	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M-2H+Na"	20.974666
"862621"	416.060566	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-2H+Na"	20.974666
"1630337"	416.060566	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Na-2H"	20.974666
"105771"	412.066963	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M-H+Cl"	33.962126
"547884"	609.609913	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M-H+Cl"	33.962126
"939935"	214.524013	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-H+Cl"	33.962126
"280315"	825.141202	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+Cl"	34.969402
"672977"	1220.227102	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+Cl"	34.969402
"1286595"	430.055302	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Cl"	34.969402
"26966"	827.120406	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M-2H+K"	36.948606
"465432"	1222.206306	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M-2H+K"	36.948606
"843233"	432.034506	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-2H+K"	36.948606
"1564533"	432.034506	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+K-2H"	36.948606
"952417"	440.084094	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-H+HCOOH"	44.998194
"371364"	835.170001	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+HCOOH-H"	44.998201
"347959"	849.185651	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+Hac-H"	59.013851
"1508193"	454.099751	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Hac-H"	59.013851
"974124"	462.066051	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-H+NaCOOH"	66.980151
"125296"	430.055302	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+2Cl"	69.938804
"565581"	627.598252	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+2Cl"	69.938804
"1035832"	232.512352	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2Cl"	69.938804
"1255776"	474.004785	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Br"	78.918885
"1312391"	476.060772	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Cl+HCOOH"	80.974872
"1332805"	498.042729	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Cl+NaCOOH"	102.956829
"923498"	508.071486	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M-H+CF3COOH"	112.985586
"1301664"	544.048164	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Cl+CF3COOH"	148.962264
"1378001"	360.073224	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H-2H2O"	-35.012676
"1392216"	378.0832	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H-H2O"	-17.0027
"289717"	791.179076	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+H"	1.007276
"683963"	1186.264976	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+H"	1.007276
"1362499"	396.093176	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H"	1.007276
"138669"	396.093176	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+2H"	2.014552
"578230"	593.636126	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+2H"	2.014552
"1049214"	198.550226	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2H"	2.014552
"216386"	264.397876	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+3H"	3.021828
"654491"	396.093176	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+3H"	3.021828
"1172978"	132.702576	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+3H"	3.021828
"429693"	808.205623	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+NH4"	18.033823
"788503"	1203.291523	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+NH4"	18.033823
"1684835"	413.119723	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+NH4"	18.033823
"341865"	404.6064495	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+H+NH4"	19.041099
"735015"	602.1493995	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+H+NH4"	19.041099
"1488105"	207.0634995	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H+NH4"	19.041099
"405690"	813.161018	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+Na"	22.989218
"766687"	1208.246918	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+Na"	22.989218
"1610414"	418.075118	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Na"	22.989218
"319357"	407.084147	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+H+Na"	23.996494
"709953"	604.627097	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+H+Na"	23.996494
"1462679"	209.541197	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H+Na"	23.996494
"1054470"	140.02989	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2H+Na"	25.00377
"1260888"	428.119386	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+CH3OH+H"	33.033486
"380193"	829.134958	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+K"	38.963158
"745563"	1224.220858	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+K"	38.963158
"1547615"	434.049058	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+K"	38.963158
"301512"	415.071117	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+H+K"	39.970434
"695026"	612.614067	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+H+K"	39.970434
"1452127"	217.528167	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H+K"	39.970434
"244011"	832.205626	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+ACN+H"	42.033826
"1214536"	437.119726	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+ACN+H"	42.033826
"1200606"	219.063501	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+ACN+2H"	43.041102
"191289"	835.14296	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+2Na-H"	44.97116
"637413"	1230.22886	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+2Na-H"	44.97116
"1133019"	440.05706	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2Na-H"	44.97116
"179475"	418.075118	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+2Na"	45.978436
"617576"	615.618068	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+2Na"	45.978436
"1122903"	220.532168	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2Na"	45.978436
"1409709"	147.357204	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H+2Na"	46.985712
"1441096"	442.098646	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H+HCOOH"	47.012746
"221192"	423.10814	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+3H2O+2H"	56.04448
"1515208"	456.15069	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+IsoProp+H"	61.06479
"417083"	426.062088	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+Na+K"	61.952376
"779172"	623.605038	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+Na+K"	61.952376
"1676233"	228.519138	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Na+K"	61.952376
"261297"	854.187568	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+ACN+Na"	64.015768
"1236193"	459.101668	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+ACN+Na"	64.015768
"1722893"	459.125193	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+NH4+HCOOH"	64.039293
"1185695"	154.684518	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+3Na"	68.967654
"1656680"	464.080588	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Na+HCOOH"	68.994688
"162449"	867.09084	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+2K-H"	76.91904
"599090"	1262.17674	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+2K-H"	76.91904
"1085789"	472.00494	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2K-H"	76.91904
"144429"	434.049058	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"2M+2K"	77.926316
"582894"	631.592008	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"3M+2K"	77.926316
"1069227"	236.506108	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2K"	77.926316
"1103165"	474.019492	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2K+H"	78.933592
"1337365"	474.107107	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+DMSO+H"	79.021207
"1008080"	478.146276	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2ACN+H"	83.060376
"1525842"	479.139908	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+IsoProp+Na+H"	84.054008
"991926"	239.576776	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+2ACN+2H"	84.067652
"1588983"	480.054528	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+K+HCOOH"	84.968628
"1416830"	510.086038	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+H+CF3COOH"	115.000138
"1153681"	260.090051	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+3ACN+2H"	125.094202
"1699951"	527.112585	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+NH4+CF3COOH"	132.026685
"1636334"	532.06798	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+Na+CF3COOH"	136.98208
"1573079"	548.04192	"C20019"	"Gonyautoxin 6;Gonyautoxin VI;GTX6;Toxin B2"	"C10H17N7O8S"	"395.0859"	"M+K+CF3COOH"	152.95602
"810371"	475.0427	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M"	0
"985002"	456.02431	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-H2O-H"	-19.01839
"72151"	315.687857333333	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M-3H"	-3.021828
"508431"	474.035424	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M-3H"	-3.021828
"887327"	157.340290666667	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-3H"	-3.021828
"5902"	474.035424	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M-2H"	-2.014552
"450932"	711.556774	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M-2H"	-2.014552
"826546"	236.514074	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-2H"	-2.014552
"88730"	949.078124	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M-H"	-1.007276
"530478"	1424.120824	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M-H"	-1.007276
"908644"	474.035424	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-H"	-1.007276
"53906"	966.104671	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M-2H+NH4"	16.019271
"498933"	1441.147371	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M-2H+NH4"	16.019271
"876735"	491.061971	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-2H+NH4"	16.019271
"42450"	971.060066	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M-2H+Na"	20.974666
"483104"	1446.102766	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M-2H+Na"	20.974666
"860907"	496.017366	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-2H+Na"	20.974666
"1627166"	496.017366	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Na-2H"	20.974666
"101506"	492.023763	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M-H+Cl"	33.962126
"544347"	729.545113	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M-H+Cl"	33.962126
"934578"	254.502413	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-H+Cl"	33.962126
"274229"	985.054802	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+Cl"	34.969402
"672115"	1460.097502	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+Cl"	34.969402
"1279051"	510.012102	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Cl"	34.969402
"16624"	987.034006	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M-2H+K"	36.948606
"462261"	1462.076706	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M-2H+K"	36.948606
"835689"	511.991306	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-2H+K"	36.948606
"1558083"	511.991306	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+K-2H"	36.948606
"947060"	520.040894	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-H+HCOOH"	44.998194
"373660"	995.083601	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+HCOOH-H"	44.998201
"352442"	1009.099251	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+Hac-H"	59.013851
"1502373"	534.056551	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Hac-H"	59.013851
"971743"	542.022851	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-H+NaCOOH"	66.980151
"125522"	510.012102	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+2Cl"	69.938804
"565205"	747.533452	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+2Cl"	69.938804
"1036876"	272.490752	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2Cl"	69.938804
"1255525"	553.961585	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Br"	78.918885
"1316511"	556.017572	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Cl+HCOOH"	80.974872
"1329999"	577.999529	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Cl+NaCOOH"	102.956829
"924336"	588.028286	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M-H+CF3COOH"	112.985586
"1303599"	624.004964	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Cl+CF3COOH"	148.962264
"1382122"	440.030024	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H-2H2O"	-35.012676
"1393421"	458.04	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H-H2O"	-17.0027
"291650"	951.092676	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+H"	1.007276
"684435"	1426.135376	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+H"	1.007276
"1363337"	476.049976	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H"	1.007276
"138414"	476.049976	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+2H"	2.014552
"578339"	713.571326	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+2H"	2.014552
"1050053"	238.528626	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2H"	2.014552
"215401"	317.702409333333	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+3H"	3.021828
"657153"	476.049976	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+3H"	3.021828
"1175276"	159.354842666667	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+3H"	3.021828
"434908"	968.119223	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+NH4"	18.033823
"794081"	1443.161923	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+NH4"	18.033823
"1691506"	493.076523	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+NH4"	18.033823
"341976"	484.5632495	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+H+NH4"	19.041099
"734397"	722.0845995	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+H+NH4"	19.041099
"1488215"	247.0418995	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H+NH4"	19.041099
"405800"	973.074618	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+Na"	22.989218
"764611"	1448.117318	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+Na"	22.989218
"1612713"	498.031918	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Na"	22.989218
"320561"	487.040947	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+H+Na"	23.996494
"709336"	724.562297	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+H+Na"	23.996494
"1464249"	249.519597	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H+Na"	23.996494
"1055309"	166.682156666667	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2H+Na"	25.00377
"1260269"	508.076186	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+CH3OH+H"	33.033486
"384678"	989.048558	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+K"	38.963158
"751870"	1464.091258	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+K"	38.963158
"1551006"	514.005858	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+K"	38.963158
"301622"	495.027917	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+H+K"	39.970434
"694043"	732.549267	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+H+K"	39.970434
"1452237"	257.506567	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H+K"	39.970434
"243028"	992.119226	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+ACN+H"	42.033826
"1212458"	517.076526	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+ACN+H"	42.033826
"1198530"	259.041901	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+ACN+2H"	43.041102
"191399"	995.05656	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+2Na-H"	44.97116
"636430"	1470.09926	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+2Na-H"	44.97116
"1132401"	520.01386	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2Na-H"	44.97116
"185418"	498.031918	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+2Na"	45.978436
"617687"	735.553268	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+2Na"	45.978436
"1125202"	260.510568	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2Na"	45.978436
"1406539"	174.009470666667	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H+2Na"	46.985712
"1439020"	522.055446	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H+HCOOH"	47.012746
"230538"	503.06494	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+3H2O+2H"	56.04448
"1515319"	536.10749	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+IsoProp+H"	61.06479
"413913"	506.018888	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+Na+K"	61.952376
"775271"	743.540238	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+Na+K"	61.952376
"1672333"	268.497538	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Na+K"	61.952376
"258854"	1014.101168	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+ACN+Na"	64.015768
"1236302"	539.058468	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+ACN+Na"	64.015768
"1723366"	539.081993	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+NH4+HCOOH"	64.039293
"1186898"	181.336784666667	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+3Na"	68.967654
"1662258"	544.037388	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Na+HCOOH"	68.994688
"164747"	1027.00444	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+2K-H"	76.91904
"604306"	1502.04714	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+2K-H"	76.91904
"1088087"	551.96174	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2K-H"	76.91904
"144904"	514.005858	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"2M+2K"	77.926316
"583368"	751.527208	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"3M+2K"	77.926316
"1070797"	276.484508	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2K"	77.926316
"1101820"	553.976292	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2K+H"	78.933592
"1337110"	554.063907	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+DMSO+H"	79.021207
"1007464"	558.103076	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2ACN+H"	83.060376
"1528141"	559.096708	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+IsoProp+Na+H"	84.054008
"993495"	279.555176	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+2ACN+2H"	84.067652
"1590186"	560.011328	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+K+HCOOH"	84.968628
"1420221"	590.042838	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+H+CF3COOH"	115.000138
"1151604"	300.068451	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+3ACN+2H"	125.094202
"1700062"	607.069385	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+NH4+CF3COOH"	132.026685
"1638998"	612.02478	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+Na+CF3COOH"	136.98208
"1572825"	627.99872	"C20020"	"Gonyautoxin 8;GTX8;Gonyautoxin VIII;Protogonyautoxin II;Toxin C2"	"C10H17N7O11S2"	"475.0427"	"M+K+CF3COOH"	152.95602
"810481"	256.1284	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M"	0
"986205"	237.11001	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-H2O-H"	-19.01839
"74447"	169.744990666667	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M-3H"	-3.021828
"508538"	255.121124	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M-3H"	-3.021828
"884152"	84.3688573333333	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-3H"	-3.021828
"8196"	255.121124	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M-2H"	-2.014552
"446665"	383.185324	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M-2H"	-2.014552
"827746"	127.056924	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-2H"	-2.014552
"82272"	511.249524	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M-H"	-1.007276
"531316"	767.377924	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M-H"	-1.007276
"902919"	255.121124	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-H"	-1.007276
"54016"	528.276071	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M-2H+NH4"	16.019271
"499772"	784.404471	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M-2H+NH4"	16.019271
"874658"	272.147671	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-2H+NH4"	16.019271
"44748"	533.231466	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M-2H+Na"	20.974666
"483214"	789.359866	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M-2H+Na"	20.974666
"858830"	277.103066	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-2H+Na"	20.974666
"1627277"	277.103066	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Na-2H"	20.974666
"102711"	273.109463	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M-H+Cl"	33.962126
"544458"	401.173663	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M-H+Cl"	33.962126
"937968"	145.045263	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-H+Cl"	33.962126
"279804"	547.226202	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+Cl"	34.969402
"670038"	803.354602	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+Cl"	34.969402
"1281348"	291.097802	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Cl"	34.969402
"18436"	549.205406	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M-2H+K"	36.948606
"462371"	805.333806	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M-2H+K"	36.948606
"837985"	293.077006	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-2H+K"	36.948606
"1563660"	293.077006	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+K-2H"	36.948606
"946076"	301.126594	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-H+HCOOH"	44.998194
"373406"	557.255001	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+HCOOH-H"	44.998201
"353646"	571.270651	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+Hac-H"	59.013851
"1503576"	315.142251	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Hac-H"	59.013851
"972946"	323.108551	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-H+NaCOOH"	66.980151
"124903"	291.097802	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+2Cl"	69.938804
"564951"	419.162002	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+2Cl"	69.938804
"1035934"	163.033602	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2Cl"	69.938804
"1255637"	335.047285	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Br"	78.918885
"1318443"	337.103272	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Cl+HCOOH"	80.974872
"1332295"	359.085229	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Cl+NaCOOH"	102.956829
"923352"	369.113986	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M-H+CF3COOH"	112.985586
"1302618"	405.090664	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Cl+CF3COOH"	148.962264
"1382355"	221.115724	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H-2H2O"	-35.012676
"1393531"	239.1257	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H-H2O"	-17.0027
"292124"	513.264076	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+H"	1.007276
"685638"	769.392476	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+H"	1.007276
"1363445"	257.135676	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H"	1.007276
"139616"	257.135676	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+2H"	2.014552
"580149"	385.199876	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+2H"	2.014552
"1050525"	129.071476	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2H"	2.014552
"215876"	171.759542666667	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+3H"	3.021828
"658115"	257.135676	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+3H"	3.021828
"1171012"	86.3834093333333	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+3H"	3.021828
"429911"	530.290623	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+NH4"	18.033823
"792004"	786.419023	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+NH4"	18.033823
"1688336"	274.162223	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+NH4"	18.033823
"343909"	265.6489495	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+H+NH4"	19.041099
"736329"	393.7131495	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+H+NH4"	19.041099
"1486138"	137.5847495	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H+NH4"	19.041099
"402630"	535.246018	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+Na"	22.989218
"767999"	791.374418	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+Na"	22.989218
"1615737"	279.117618	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Na"	22.989218
"322857"	268.126647	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+H+Na"	23.996494
"713093"	396.190847	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+H+Na"	23.996494
"1466182"	140.062447	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H+Na"	23.996494
"1057240"	93.7107233333333	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2H+Na"	25.00377
"1261836"	289.161886	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+CH3OH+H"	33.033486
"384788"	551.219958	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+K"	38.963158
"750158"	807.348358	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+K"	38.963158
"1550023"	295.091558	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+K"	38.963158
"303918"	276.113617	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+H+K"	39.970434
"698526"	404.177817	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+H+K"	39.970434
"1452347"	148.049417	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H+K"	39.970434
"244231"	554.290626	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+ACN+H"	42.033826
"1212932"	298.162226	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+ACN+H"	42.033826
"1195722"	149.584751	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+ACN+2H"	43.041102
"190166"	557.22796	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+2Na-H"	44.97116
"636540"	813.35636	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+2Na-H"	44.97116
"1132511"	301.09956	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2Na-H"	44.97116
"179330"	279.117618	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+2Na"	45.978436
"622902"	407.181818	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+2Na"	45.978436
"1122761"	151.053418	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2Na"	45.978436
"1404827"	101.038037333333	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H+2Na"	46.985712
"1438766"	303.141146	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H+HCOOH"	47.012746
"230648"	284.15064	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+3H2O+2H"	56.04448
"1516523"	317.19319	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+IsoProp+H"	61.06479
"415117"	287.104588	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+Na+K"	61.952376
"772831"	415.168788	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+Na+K"	61.952376
"1667340"	159.040388	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Na+K"	61.952376
"257869"	576.272568	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+ACN+Na"	64.015768
"1229485"	320.144168	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+ACN+Na"	64.015768
"1715455"	320.167693	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+NH4+HCOOH"	64.039293
"1188101"	108.365351333333	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+3Na"	68.967654
"1662368"	325.123088	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Na+HCOOH"	68.994688
"163764"	589.17584	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+2K-H"	76.91904
"603321"	845.30424	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+2K-H"	76.91904
"1086740"	333.04744	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2K-H"	76.91904
"142825"	295.091558	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"2M+2K"	77.926316
"586395"	423.155758	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"3M+2K"	77.926316
"1071634"	167.027358	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2K"	77.926316
"1101927"	335.061992	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2K+H"	78.933592
"1337219"	335.149607	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+DMSO+H"	79.021207
"1008058"	339.188776	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2ACN+H"	83.060376
"1529344"	340.182408	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+IsoProp+Na+H"	84.054008
"993239"	170.098026	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+2ACN+2H"	84.067652
"1589565"	341.097028	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+K+HCOOH"	84.968628
"1418145"	371.128538	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+H+CF3COOH"	115.000138
"1148433"	190.611301	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+3ACN+2H"	125.094202
"1699443"	388.155085	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+NH4+CF3COOH"	132.026685
"1636919"	393.11048	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+Na+CF3COOH"	136.98208
"1572571"	409.08442	"C20021"	"Decarbamoylsaxitoxin"	"C9H16N6O3"	"256.1284"	"M+K+CF3COOH"	152.95602
"810591"	368.075	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M"	0
"984128"	349.05661	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-H2O-H"	-19.01839
"70184"	244.376057333333	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M-3H"	-3.021828
"511927"	367.067724	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M-3H"	-3.021828
"885356"	121.684390666667	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-3H"	-3.021828
"8306"	367.067724	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M-2H"	-2.014552
"444588"	551.105224	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M-2H"	-2.014552
"824576"	183.030224	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-2H"	-2.014552
"80924"	735.142724	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M-H"	-1.007276
"532641"	1103.217724	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M-H"	-1.007276
"903029"	367.067724	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-H"	-1.007276
"59595"	752.169271	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M-2H+NH4"	16.019271
"498061"	1120.244271	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M-2H+NH4"	16.019271
"878049"	384.094271	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-2H+NH4"	16.019271
"44857"	757.124666	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M-2H+Na"	20.974666
"482231"	1125.199666	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M-2H+Na"	20.974666
"860034"	389.049666	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-2H+Na"	20.974666
"1630670"	389.049666	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Na-2H"	20.974666
"106468"	385.056063	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M-H+Cl"	33.962126
"547120"	569.093563	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M-H+Cl"	33.962126
"936986"	201.018563	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-H+Cl"	33.962126
"282591"	771.119402	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+Cl"	34.969402
"671243"	1139.194402	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+Cl"	34.969402
"1282552"	403.044402	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Cl"	34.969402
"22922"	773.098606	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M-2H+K"	36.948606
"459202"	1141.173606	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M-2H+K"	36.948606
"842471"	405.023606	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-2H+K"	36.948606
"1568145"	405.023606	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+K-2H"	36.948606
"950559"	413.073194	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-H+HCOOH"	44.998194
"367683"	781.148201	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+HCOOH-H"	44.998201
"354851"	795.163851	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+Hac-H"	59.013851
"1503686"	427.088851	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Hac-H"	59.013851
"972689"	435.055151	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-H+NaCOOH"	66.980151
"125498"	403.044402	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+2Cl"	69.938804
"565606"	587.081902	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+2Cl"	69.938804
"1036408"	219.006902	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2Cl"	69.938804
"1256845"	446.993885	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Br"	78.918885
"1318192"	449.049872	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Cl+HCOOH"	80.974872
"1334594"	471.031829	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Cl+NaCOOH"	102.956829
"927043"	481.060586	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M-H+CF3COOH"	112.985586
"1303946"	517.037264	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Cl+CF3COOH"	148.962264
"1382424"	333.062324	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H-2H2O"	-35.012676
"1397531"	351.0723	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H-H2O"	-17.0027
"296245"	737.157276	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+H"	1.007276
"686842"	1105.232276	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+H"	1.007276
"1364649"	369.082276	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H"	1.007276
"139728"	369.082276	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+2H"	2.014552
"579651"	553.119776	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+2H"	2.014552
"1050636"	185.044776	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2H"	2.014552
"215985"	246.390609333333	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+3H"	3.021828
"658712"	369.082276	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+3H"	3.021828
"1174402"	123.698942666667	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+3H"	3.021828
"433304"	754.183823	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+NH4"	18.033823
"795396"	1122.258823	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+NH4"	18.033823
"1688446"	386.108823	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+NH4"	18.033823
"341098"	377.5955495	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+H+NH4"	19.041099
"738221"	561.6330495	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+H+NH4"	19.041099
"1491356"	193.5580495	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H+NH4"	19.041099
"408257"	759.139218	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+Na"	22.989218
"768111"	1127.214218	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+Na"	22.989218
"1617302"	391.064218	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Na"	22.989218
"322969"	380.073247	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+H+Na"	23.996494
"718671"	564.110747	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+H+Na"	23.996494
"1472492"	196.035747	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H+Na"	23.996494
"1058083"	131.026256666667	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2H+Na"	25.00377
"1265228"	401.108486	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+CH3OH+H"	33.033486
"381618"	775.113158	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+K"	38.963158
"749173"	1143.188158	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+K"	38.963158
"1550132"	407.038158	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+K"	38.963158
"311684"	388.060217	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+H+K"	39.970434
"701918"	572.097717	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+H+K"	39.970434
"1456833"	204.022717	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H+K"	39.970434
"244343"	778.183826	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+ACN+H"	42.033826
"1214865"	410.108826	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+ACN+H"	42.033826
"1195468"	205.558051	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+ACN+2H"	43.041102
"188781"	781.12116	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+2Na-H"	44.97116
"638837"	1149.19616	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+2Na-H"	44.97116
"1141617"	413.04616	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2Na-H"	44.97116
"178347"	391.064218	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+2Na"	45.978436
"618271"	575.101718	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+2Na"	45.978436
"1124329"	207.026718	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2Na"	45.978436
"1410039"	138.353570666667	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H+2Na"	46.985712
"1439968"	415.087746	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H+HCOOH"	47.012746
"230758"	396.09724	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+3H2O+2H"	56.04448
"1513354"	429.13979	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+IsoProp+H"	61.06479
"413041"	399.051188	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+Na+K"	61.952376
"779502"	583.088688	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+Na+K"	61.952376
"1673646"	215.013688	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Na+K"	61.952376
"260166"	800.165768	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+ACN+Na"	64.015768
"1236154"	432.090768	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+ACN+Na"	64.015768
"1720668"	432.114293	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+NH4+HCOOH"	64.039293
"1183836"	145.680884666667	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+3Na"	68.967654
"1657009"	437.069688	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Na+HCOOH"	68.994688
"163872"	813.06904	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+2K-H"	76.91904
"603431"	1181.14404	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+2K-H"	76.91904
"1086124"	444.99404	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2K-H"	76.91904
"144397"	407.038158	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"2M+2K"	77.926316
"582010"	591.075658	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"3M+2K"	77.926316
"1069924"	223.000658	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2K"	77.926316
"1104225"	447.008592	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2K+H"	78.933592
"1339880"	447.096207	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+DMSO+H"	79.021207
"1009141"	451.135376	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2ACN+H"	83.060376
"1526538"	452.129008	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+IsoProp+Na+H"	84.054008
"992622"	226.071326	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+2ACN+2H"	84.067652
"1587855"	453.043628	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+K+HCOOH"	84.968628
"1418255"	483.075138	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+H+CF3COOH"	115.000138
"1150729"	246.584601	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+3ACN+2H"	125.094202
"1700282"	500.101685	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+NH4+CF3COOH"	132.026685
"1635206"	505.05708	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+Na+CF3COOH"	136.98208
"1572681"	521.03102	"C20022"	"Decarbamoylgonyautoxin 1"	"C9H16N6O8S"	"368.075"	"M+K+CF3COOH"	152.95602
"810701"	979.6021	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M"	0
"982052"	960.58371	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-H2O-H"	-19.01839
"69200"	652.060790666667	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M-3H"	-3.021828
"508759"	978.594824	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M-3H"	-3.021828
"885468"	325.526757333333	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-3H"	-3.021828
"6229"	978.594824	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M-2H"	-2.014552
"450165"	1468.395874	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M-2H"	-2.014552
"821409"	488.793774	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-2H"	-2.014552
"84679"	1958.196924	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M-H"	-1.007276
"522054"	2937.799024	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M-H"	-1.007276
"905324"	978.594824	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-H"	-1.007276
"62341"	1975.223471	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M-2H+NH4"	16.019271
"501816"	2954.825571	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M-2H+NH4"	16.019271
"877066"	995.621371	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-2H+NH4"	16.019271
"44967"	1980.178866	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M-2H+Na"	20.974666
"485507"	2959.780966	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M-2H+Na"	20.974666
"862338"	1000.576766	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-2H+Na"	20.974666
"1632238"	1000.576766	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Na-2H"	20.974666
"106945"	996.583163	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M-H+Cl"	33.962126
"547598"	1486.384213	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M-H+Cl"	33.962126
"940745"	506.782113	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-H+Cl"	33.962126
"278933"	1994.173602	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+Cl"	34.969402
"674634"	2973.775702	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+Cl"	34.969402
"1281569"	1014.571502	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Cl"	34.969402
"24126"	1996.152806	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M-2H+K"	36.948606
"466967"	2975.754906	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M-2H+K"	36.948606
"848259"	1016.550706	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-2H+K"	36.948606
"1567528"	1016.550706	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+K-2H"	36.948606
"952492"	1024.600294	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-H+HCOOH"	44.998194
"368886"	2004.202401	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+HCOOH-H"	44.998201
"353867"	2018.218051	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+Hac-H"	59.013851
"1503796"	1038.615951	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Hac-H"	59.013851
"972193"	1046.582251	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-H+NaCOOH"	66.980151
"123169"	1014.571502	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+2Cl"	69.938804
"563469"	1504.372552	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+2Cl"	69.938804
"1035543"	524.770452	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2Cl"	69.938804
"1255733"	1058.520985	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Br"	78.918885
"1317573"	1060.576972	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Cl+HCOOH"	80.974872
"1333610"	1082.558929	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Cl+NaCOOH"	102.956829
"925032"	1092.587686	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M-H+CF3COOH"	112.985586
"1302471"	1128.564364	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Cl+CF3COOH"	148.962264
"1382215"	944.589424	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H-2H2O"	-35.012676
"1397926"	962.5994	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H-H2O"	-17.0027
"296355"	1960.211476	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+H"	1.007276
"689139"	2939.813576	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+H"	1.007276
"1364030"	980.609376	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H"	1.007276
"140568"	980.609376	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+2H"	2.014552
"580858"	1470.410426	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+2H"	2.014552
"1051476"	490.808326	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2H"	2.014552
"218283"	654.075342666667	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+3H"	3.021828
"658579"	980.609376	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+3H"	3.021828
"1176700"	327.541309333333	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+3H"	3.021828
"426854"	1977.238023	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+NH4"	18.033823
"788944"	2956.840123	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+NH4"	18.033823
"1691836"	997.635923	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+NH4"	18.033823
"345220"	989.1226495	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+H+NH4"	19.041099
"737967"	1478.9236995	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+H+NH4"	19.041099
"1489638"	499.3215995	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H+NH4"	19.041099
"407226"	1982.193418	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+Na"	22.989218
"761661"	2961.795518	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+Na"	22.989218
"1618307"	1002.591318	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Na"	22.989218
"324172"	991.600347	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+H+Na"	23.996494
"721577"	1481.401397	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+H+Na"	23.996494
"1473695"	501.799297	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H+Na"	23.996494
"1061472"	334.868623333333	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2H+Na"	25.00377
"1267527"	1012.635586	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+CH3OH+H"	33.033486
"388290"	1998.167358	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+K"	38.963158
"751472"	2977.769458	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+K"	38.963158
"1553524"	1018.565258	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+K"	38.963158
"308513"	999.587317	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+H+K"	39.970434
"705308"	1489.388367	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+H+K"	39.970434
"1458405"	509.786267	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H+K"	39.970434
"244454"	2001.238026	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+ACN+H"	42.033826
"1216069"	1021.635926	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+ACN+H"	42.033826
"1196672"	511.321601	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+ACN+2H"	43.041102
"191001"	2004.17536	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+2Na-H"	44.97116
"638947"	2983.77746	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+2Na-H"	44.97116
"1144279"	1024.57326	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2Na-H"	44.97116
"183561"	1002.591318	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+2Na"	45.978436
"623123"	1492.392368	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+2Na"	45.978436
"1123347"	512.790268	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2Na"	45.978436
"1405777"	342.195937333333	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H+2Na"	46.985712
"1440078"	1026.614846	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H+HCOOH"	47.012746
"230866"	1007.62434	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+3H2O+2H"	56.04448
"1516744"	1040.66689	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+IsoProp+H"	61.06479
"417522"	1010.578288	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+Na+K"	61.952376
"778520"	1500.379338	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+Na+K"	61.952376
"1672664"	520.777238	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Na+K"	61.952376
"258090"	2023.219968	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+ACN+Na"	64.015768
"1234079"	1043.617868	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+ACN+Na"	64.015768
"1724059"	1043.641393	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+NH4+HCOOH"	64.039293
"1185041"	349.523251333333	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+3Na"	68.967654
"1654936"	1048.596788	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Na+HCOOH"	68.994688
"162890"	2036.12324	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+2K-H"	76.91904
"599655"	3015.72534	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+2K-H"	76.91904
"1088055"	1056.52114	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2K-H"	76.91904
"146328"	1018.565258	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"2M+2K"	77.926316
"585523"	1508.366308	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"3M+2K"	77.926316
"1072223"	528.764208	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2K"	77.926316
"1107619"	1058.535692	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2K+H"	78.933592
"1342910"	1058.623307	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+DMSO+H"	79.021207
"1014721"	1062.662476	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2ACN+H"	83.060376
"1529565"	1063.656108	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+IsoProp+Na+H"	84.054008
"993828"	531.834876	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+2ACN+2H"	84.067652
"1593798"	1064.570728	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+K+HCOOH"	84.968628
"1419458"	1094.602238	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+H+CF3COOH"	115.000138
"1149747"	552.348151	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+3ACN+2H"	125.094202
"1703675"	1111.628785	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+NH4+CF3COOH"	132.026685
"1642606"	1116.58418	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+Na+CF3COOH"	136.98208
"1573884"	1132.55812	"C20023"	"Prorocentrolide"	"C56H85NO13"	"979.6021"	"M+K+CF3COOH"	152.95602
"810811"	1075.5538	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M"	0
"979975"	1056.53541	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-H2O-H"	-19.01839
"69310"	716.028590666667	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M-3H"	-3.021828
"507775"	1074.546524	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M-3H"	-3.021828
"883391"	357.510657333333	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-3H"	-3.021828
"1965"	1074.546524	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M-2H"	-2.014552
"442621"	1612.323424	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M-2H"	-2.014552
"820425"	536.769624	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-2H"	-2.014552
"79078"	2150.100324	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M-H"	-1.007276
"519005"	3225.654124	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M-H"	-1.007276
"897051"	1074.546524	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-H"	-1.007276
"55437"	2167.126871	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M-2H+NH4"	16.019271
"498278"	3242.680671	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M-2H+NH4"	16.019271
"872801"	1091.573071	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-2H+NH4"	16.019271
"45077"	2172.082266	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M-2H+Na"	20.974666
"485374"	3247.636066	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M-2H+Na"	20.974666
"863177"	1096.528466	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-2H+Na"	20.974666
"1631617"	1096.528466	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Na-2H"	20.974666
"107417"	1092.534863	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M-H+Cl"	33.962126
"548801"	1630.311763	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M-H+Cl"	33.962126
"937207"	554.757963	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-H+Cl"	33.962126
"276856"	2186.077002	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+Cl"	34.969402
"671462"	3261.630802	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+Cl"	34.969402
"1280586"	1110.523202	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Cl"	34.969402
"23143"	2188.056206	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M-2H+K"	36.948606
"467077"	3263.610006	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M-2H+K"	36.948606
"847067"	1112.502406	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-2H+K"	36.948606
"1567274"	1112.502406	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+K-2H"	36.948606
"949687"	1120.551994	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-H+HCOOH"	44.998194
"364623"	2196.105801	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+HCOOH-H"	44.998201
"355070"	2210.121451	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+Hac-H"	59.013851
"1500626"	1134.567651	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Hac-H"	59.013851
"972181"	1142.533951	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-H+NaCOOH"	66.980151
"124009"	1110.523202	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+2Cl"	69.938804
"563944"	1648.300102	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+2Cl"	69.938804
"1036017"	572.746302	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2Cl"	69.938804
"1256328"	1154.472685	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Br"	78.918885
"1319508"	1156.528672	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Cl+HCOOH"	80.974872
"1333721"	1178.510629	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Cl+NaCOOH"	102.956829
"925871"	1188.539386	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M-H+CF3COOH"	112.985586
"1303307"	1224.516064	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Cl+CF3COOH"	148.962264
"1382704"	1040.541124	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H-2H2O"	-35.012676
"1394590"	1058.5511	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H-H2O"	-17.0027
"295005"	2152.114876	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+H"	1.007276
"685968"	3227.668676	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+H"	1.007276
"1363775"	1076.561076	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H"	1.007276
"138486"	1076.561076	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+2H"	2.014552
"580603"	1614.337976	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+2H"	2.014552
"1050126"	538.784176	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2H"	2.014552
"216206"	718.043142666667	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+3H"	3.021828
"658319"	1076.561076	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+3H"	3.021828
"1176809"	359.525209333333	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+3H"	3.021828
"425871"	2169.141423	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+NH4"	18.033823
"790146"	3244.695223	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+NH4"	18.033823
"1681614"	1093.587623	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+NH4"	18.033823
"344598"	1085.0743495	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+H+NH4"	19.041099
"735567"	1622.8512495	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+H+NH4"	19.041099
"1489748"	547.2974495	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H+NH4"	19.041099
"405149"	2174.096818	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+Na"	22.989218
"765051"	3249.650618	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+Na"	22.989218
"1617401"	1098.543018	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Na"	22.989218
"324282"	1087.552047	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+H+Na"	23.996494
"721809"	1625.328947	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+H+Na"	23.996494
"1473805"	549.775147	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H+Na"	23.996494
"1060490"	366.852523333333	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2H+Na"	25.00377
"1267637"	1108.587286	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+CH3OH+H"	33.033486
"386213"	2190.070758	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+K"	38.963158
"752312"	3265.624558	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+K"	38.963158
"1553634"	1114.516958	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+K"	38.963158
"308623"	1095.539017	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+H+K"	39.970434
"704325"	1633.315917	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+H+K"	39.970434
"1458515"	557.762117	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H+K"	39.970434
"243472"	2193.141426	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+ACN+H"	42.033826
"1213993"	1117.587626	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+ACN+H"	42.033826
"1198969"	559.297451	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+ACN+2H"	43.041102
"189200"	2196.07876	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+2Na-H"	44.97116
"639057"	3271.63256	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+2Na-H"	44.97116
"1144753"	1120.52496	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2Na-H"	44.97116
"184764"	1098.543018	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+2Na"	45.978436
"624692"	1636.319918	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+2Na"	45.978436
"1123457"	560.766118	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2Na"	45.978436
"1408074"	374.179837333333	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H+2Na"	46.985712
"1442375"	1122.566546	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H+HCOOH"	47.012746
"232070"	1103.57604	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+3H2O+2H"	56.04448
"1514668"	1136.61859	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+IsoProp+H"	61.06479
"414353"	1106.529988	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+Na+K"	61.952376
"779723"	1644.306888	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+Na+K"	61.952376
"1674962"	568.753088	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Na+K"	61.952376
"263667"	2215.123368	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+ACN+Na"	64.015768
"1235283"	1139.569568	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+ACN+Na"	64.015768
"1724536"	1139.593093	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+NH4+HCOOH"	64.039293
"1185151"	381.507151333333	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+3Na"	68.967654
"1657233"	1144.548488	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Na+HCOOH"	68.994688
"161907"	2228.02664	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+2K-H"	76.91904
"600374"	3303.58044	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+2K-H"	76.91904
"1088165"	1152.47284	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2K-H"	76.91904
"143522"	1114.516958	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"2M+2K"	77.926316
"582717"	1652.293858	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"3M+2K"	77.926316
"1071603"	576.740058	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2K"	77.926316
"1104449"	1154.487392	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2K+H"	78.933592
"1340834"	1154.575007	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+DMSO+H"	79.021207
"1014831"	1158.614176	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2ACN+H"	83.060376
"1530768"	1159.607808	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+IsoProp+Na+H"	84.054008
"992844"	579.810726	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+2ACN+2H"	84.067652
"1591721"	1160.522428	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+K+HCOOH"	84.968628
"1417381"	1190.553938	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+H+CF3COOH"	115.000138
"1147426"	600.324001	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+3ACN+2H"	125.094202
"1701598"	1207.580485	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+NH4+CF3COOH"	132.026685
"1639435"	1212.53588	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+Na+CF3COOH"	136.98208
"1573994"	1228.50982	"C20024"	"Prorocentrolide B"	"C56H85NO17S"	"1075.5538"	"M+K+CF3COOH"	152.95602
"810921"	507.3349	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M"	0
"980085"	488.31651	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-H2O-H"	-19.01839
"66140"	337.215990666667	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M-3H"	-3.021828
"504605"	506.327624	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M-3H"	-3.021828
"881678"	168.104357333333	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-3H"	-3.021828
"1709"	506.327624	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M-2H"	-2.014552
"442731"	759.995074	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M-2H"	-2.014552
"819442"	252.660174	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-2H"	-2.014552
"80525"	1013.662524	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M-H"	-1.007276
"522274"	1520.997424	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M-H"	-1.007276
"896797"	506.327624	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-H"	-1.007276
"55546"	1030.689071	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M-2H+NH4"	16.019271
"491097"	1538.023971	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M-2H+NH4"	16.019271
"872911"	523.354171	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-2H+NH4"	16.019271
"45187"	1035.644466	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M-2H+Na"	20.974666
"485119"	1542.979366	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M-2H+Na"	20.974666
"862923"	528.309566	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-2H+Na"	20.974666
"1632821"	528.309566	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Na-2H"	20.974666
"107528"	524.315963	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M-H+Cl"	33.962126
"548547"	777.983413	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M-H+Cl"	33.962126
"936224"	270.648513	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-H+Cl"	33.962126
"279152"	1049.639202	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+Cl"	34.969402
"672665"	1556.974102	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+Cl"	34.969402
"1281789"	542.304302	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Cl"	34.969402
"23253"	1051.618406	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M-2H+K"	36.948606
"467187"	1558.953306	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M-2H+K"	36.948606
"846084"	544.283506	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-2H+K"	36.948606
"1567384"	544.283506	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+K-2H"	36.948606
"950890"	552.333094	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-H+HCOOH"	44.998194
"366920"	1059.668001	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+HCOOH-H"	44.998201
"355179"	1073.683651	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+Hac-H"	59.013851
"1498547"	566.348751	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Hac-H"	59.013851
"966092"	574.315051	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-H+NaCOOH"	66.980151
"125089"	542.304302	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+2Cl"	69.938804
"565464"	795.971752	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+2Cl"	69.938804
"1035764"	288.636852	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2Cl"	69.938804
"1255709"	586.253785	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Br"	78.918885
"1318887"	588.309772	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Cl+HCOOH"	80.974872
"1334193"	610.291729	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Cl+NaCOOH"	102.956829
"924885"	620.320486	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M-H+CF3COOH"	112.985586
"1303052"	656.297164	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Cl+CF3COOH"	148.962264
"1382569"	472.322224	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H-2H2O"	-35.012676
"1396401"	490.3322	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H-H2O"	-17.0027
"295478"	1015.677076	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+H"	1.007276
"682797"	1523.011976	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+H"	1.007276
"1361332"	508.342176	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H"	1.007276
"137866"	508.342176	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+2H"	2.014552
"578157"	762.009626	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+2H"	2.014552
"1048413"	254.674726	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2H"	2.014552
"216316"	339.230542666667	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+3H"	3.021828
"655513"	508.342176	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+3H"	3.021828
"1173639"	170.118909333333	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+3H"	3.021828
"427074"	1032.703623	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+NH4"	18.033823
"790256"	1540.038523	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+NH4"	18.033823
"1681967"	525.368723	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+NH4"	18.033823
"344223"	516.8554495	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+H+NH4"	19.041099
"732762"	770.5228995	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+H+NH4"	19.041099
"1489858"	263.1879995	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H+NH4"	19.041099
"404166"	1037.659018	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+Na"	22.989218
"765161"	1544.993918	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+Na"	22.989218
"1617390"	530.324118	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Na"	22.989218
"325485"	519.333147	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+H+Na"	23.996494
"721798"	773.000597	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+H+Na"	23.996494
"1473915"	265.665697	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H+Na"	23.996494
"1059507"	177.446223333333	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2H+Na"	25.00377
"1264467"	540.368386	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+CH3OH+H"	33.033486
"386323"	1053.632958	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+K"	38.963158
"751692"	1560.967858	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+K"	38.963158
"1554109"	546.298058	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+K"	38.963158
"308733"	527.320117	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+H+K"	39.970434
"703342"	780.987567	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+H+K"	39.970434
"1456071"	273.652667	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H+K"	39.970434
"240297"	1056.703626	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+ACN+H"	42.033826
"1210452"	549.368726	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+ACN+H"	42.033826
"1195795"	275.188001	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+ACN+2H"	43.041102
"189030"	1059.64096	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+2Na-H"	44.97116
"632969"	1566.97586	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+2Na-H"	44.97116
"1133559"	552.30606	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2Na-H"	44.97116
"182687"	530.324118	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+2Na"	45.978436
"620062"	783.991568	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+2Na"	45.978436
"1124660"	276.656668	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2Na"	45.978436
"1404904"	184.773537333333	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H+2Na"	46.985712
"1443579"	554.347646	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H+HCOOH"	47.012746
"234732"	535.35714	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+3H2O+2H"	56.04448
"1516964"	568.39969	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+IsoProp+H"	61.06479
"418836"	538.311088	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+Na+K"	61.952376
"781656"	791.978538	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+Na+K"	61.952376
"1672884"	284.643638	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Na+K"	61.952376
"263777"	1078.685568	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+ACN+Na"	64.015768
"1235392"	571.350668	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+ACN+Na"	64.015768
"1724279"	571.374193	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+NH4+HCOOH"	64.039293
"1187447"	192.100851333333	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+3Na"	68.967654
"1657341"	576.329588	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Na+HCOOH"	68.994688
"164203"	1091.58884	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+2K-H"	76.91904
"601576"	1598.92374	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+2K-H"	76.91904
"1088275"	584.25394	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2K-H"	76.91904
"143389"	546.298058	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"2M+2K"	77.926316
"582462"	799.965508	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"3M+2K"	77.926316
"1070256"	292.630608	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2K"	77.926316
"1101277"	586.268492	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2K+H"	78.933592
"1342037"	586.356107	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+DMSO+H"	79.021207
"1011661"	590.395276	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2ACN+H"	83.060376
"1528692"	591.388908	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+IsoProp+Na+H"	84.054008
"992954"	295.701276	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+2ACN+2H"	84.067652
"1588552"	592.303528	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+K+HCOOH"	84.968628
"1416398"	622.335038	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+H+CF3COOH"	115.000138
"1147901"	316.214551	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+3ACN+2H"	125.094202
"1701708"	639.361585	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+NH4+CF3COOH"	132.026685
"1638452"	644.31698	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+Na+CF3COOH"	136.98208
"1574104"	660.29092	"C20025"	"Gymnodimine;Gymnodimine A;GYM A"	"C32H45NO4"	"507.3349"	"M+K+CF3COOH"	152.95602
"811031"	303.1067	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M"	0
"980195"	284.08831	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-H2O-H"	-19.01839
"66250"	201.063857333333	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M-3H"	-3.021828
"504715"	302.099424	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M-3H"	-3.021828
"883611"	100.028290666667	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-3H"	-3.021828
"1212"	302.099424	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M-2H"	-2.014552
"441138"	453.652774	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M-2H"	-2.014552
"819552"	150.546074	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-2H"	-2.014552
"83915"	605.206124	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M-H"	-1.007276
"522384"	908.312824	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M-H"	-1.007276
"898000"	302.099424	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-H"	-1.007276
"52376"	622.232671	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M-2H+NH4"	16.019271
"489739"	925.339371	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M-2H+NH4"	16.019271
"866459"	319.125971	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-2H+NH4"	16.019271
"37643"	627.188066	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M-2H+Na"	20.974666
"480484"	930.294766	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M-2H+Na"	20.974666
"862303"	324.081366	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-2H+Na"	20.974666
"1631837"	324.081366	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Na-2H"	20.974666
"105449"	320.087763	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M-H+Cl"	33.962126
"546832"	471.641113	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M-H+Cl"	33.962126
"936334"	168.534413	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-H+Cl"	33.962126
"277077"	641.182802	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+Cl"	34.969402
"665121"	944.289502	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+Cl"	34.969402
"1274244"	338.076102	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Cl"	34.969402
"17894"	643.162006	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M-2H+K"	36.948606
"461829"	946.268706	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M-2H+K"	36.948606
"844005"	340.055306	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-2H+K"	36.948606
"1568586"	340.055306	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+K-2H"	36.948606
"949907"	348.104894	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-H+HCOOH"	44.998194
"369217"	651.211601	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+HCOOH-H"	44.998201
"355289"	665.227251	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+Hac-H"	59.013851
"1499021"	362.120551	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Hac-H"	59.013851
"966202"	370.086851	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-H+NaCOOH"	66.980151
"124594"	338.076102	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+2Cl"	69.938804
"564886"	489.629452	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+2Cl"	69.938804
"1035507"	186.522752	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2Cl"	69.938804
"1256668"	382.025585	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Br"	78.918885
"1319604"	384.081572	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Cl+HCOOH"	80.974872
"1334306"	406.063529	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Cl+NaCOOH"	102.956829
"924631"	416.092286	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M-H+CF3COOH"	112.985586
"1304048"	452.068964	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Cl+CF3COOH"	148.962264
"1382386"	268.094024	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H-2H2O"	-35.012676
"1396632"	286.104	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H-H2O"	-17.0027
"292308"	607.220676	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+H"	1.007276
"685094"	910.327376	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+H"	1.007276
"1362901"	304.113976	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H"	1.007276
"140771"	304.113976	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+2H"	2.014552
"578631"	455.667326	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+2H"	2.014552
"1050710"	152.560626	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2H"	2.014552
"218249"	203.078409333333	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+3H"	3.021828
"659228"	304.113976	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+3H"	3.021828
"1176665"	102.042842666667	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+3H"	3.021828
"428276"	624.247223	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+NH4"	18.033823
"790360"	927.353923	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+NH4"	18.033823
"1682444"	321.140523	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+NH4"	18.033823
"334975"	312.6272495	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+H+NH4"	19.041099
"732871"	464.1805995	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+H+NH4"	19.041099
"1488876"	161.0738995	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H+NH4"	19.041099
"405006"	629.202618	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+Na"	22.989218
"765271"	932.309318	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+Na"	22.989218
"1616649"	326.095918	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Na"	22.989218
"323407"	315.104947	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+H+Na"	23.996494
"720572"	466.658297	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+H+Na"	23.996494
"1472932"	163.551597	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H+Na"	23.996494
"1059617"	109.370156666667	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2H+Na"	25.00377
"1264577"	336.140186	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+CH3OH+H"	33.033486
"385339"	645.176558	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+K"	38.963158
"747428"	948.283258	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+K"	38.963158
"1553371"	342.069858	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+K"	38.963158
"306656"	323.091917	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+H+K"	39.970434
"704545"	474.645267	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+H+K"	39.970434
"1452901"	171.538567	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H+K"	39.970434
"239314"	648.247226	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+ACN+H"	42.033826
"1212022"	345.140526	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+ACN+H"	42.033826
"1199185"	173.073901	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+ACN+2H"	43.041102
"189870"	651.18456	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+2Na-H"	44.97116
"633443"	954.29126	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+2Na-H"	44.97116
"1132940"	348.07786	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2Na-H"	44.97116
"185713"	326.095918	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+2Na"	45.978436
"620172"	477.649268	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+2Na"	45.978436
"1124770"	174.542568	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2Na"	45.978436
"1407201"	116.697470666667	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H+2Na"	46.985712
"1444419"	350.119446	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H+HCOOH"	47.012746
"233020"	331.12894	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+3H2O+2H"	56.04448
"1522541"	364.17149	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+IsoProp+H"	61.06479
"421133"	334.082888	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+Na+K"	61.952376
"784318"	485.636238	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+Na+K"	61.952376
"1677368"	182.529538	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Na+K"	61.952376
"264981"	670.229168	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+ACN+Na"	64.015768
"1235503"	367.122468	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+ACN+Na"	64.015768
"1725119"	367.145993	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+NH4+HCOOH"	64.039293
"1186464"	124.024784666667	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+3Na"	68.967654
"1657452"	372.101388	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Na+HCOOH"	68.994688
"161398"	683.13244	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+2K-H"	76.91904
"598527"	986.23914	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+2K-H"	76.91904
"1087292"	380.02574	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2K-H"	76.91904
"142406"	342.069858	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"2M+2K"	77.926316
"582936"	493.623208	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"3M+2K"	77.926316
"1070366"	190.516508	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2K"	77.926316
"1102482"	382.040292	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2K+H"	78.933592
"1342148"	382.127907	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+DMSO+H"	79.021207
"1013958"	386.167076	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2ACN+H"	83.060376
"1528801"	387.160708	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+IsoProp+Na+H"	84.054008
"993064"	193.587176	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+2ACN+2H"	84.067652
"1589026"	388.075328	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+K+HCOOH"	84.968628
"1417601"	418.106838	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+H+CF3COOH"	115.000138
"1147890"	214.100451	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+3ACN+2H"	125.094202
"1701818"	435.133385	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+NH4+CF3COOH"	132.026685
"1638562"	440.08878	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+Na+CF3COOH"	136.98208
"1574214"	456.06272	"C20026"	"11-Deoxytetrodotoxin"	"C11H17N3O7"	"303.1067"	"M+K+CF3COOH"	152.95602
"813332"	311.1369	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M"	0
"982492"	292.11851	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-H2O-H"	-19.01839
"66360"	206.417324	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M-3H"	-3.021828
"508105"	310.129624	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M-3H"	-3.021828
"882626"	102.705024	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-3H"	-3.021828
"7761"	310.129624	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M-2H"	-2.014552
"441856"	465.698074	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M-2H"	-2.014552
"820023"	154.561174	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-2H"	-2.014552
"80745"	621.266524	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M-H"	-1.007276
"521402"	932.403424	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M-H"	-1.007276
"898111"	310.129624	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-H"	-1.007276
"50299"	638.293071	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M-2H+NH4"	16.019271
"499703"	949.429971	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M-2H+NH4"	16.019271
"866569"	327.156171	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-2H+NH4"	16.019271
"35564"	643.248466	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M-2H+Na"	20.974666
"479501"	954.385366	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M-2H+Na"	20.974666
"861677"	332.111566	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-2H+Na"	20.974666
"1631945"	332.111566	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Na-2H"	20.974666
"104463"	328.117963	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M-H+Cl"	33.962126
"544023"	483.686413	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M-H+Cl"	33.962126
"935350"	172.549513	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-H+Cl"	33.962126
"277185"	657.243202	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+Cl"	34.969402
"673980"	968.380102	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+Cl"	34.969402
"1284925"	346.106302	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Cl"	34.969402
"24566"	659.222406	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M-2H+K"	36.948606
"468502"	970.359306	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M-2H+K"	36.948606
"847033"	348.085506	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-2H+K"	36.948606
"1569791"	348.085506	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+K-2H"	36.948606
"952204"	356.135094	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-H+HCOOH"	44.998194
"370420"	667.272001	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+HCOOH-H"	44.998201
"356493"	681.287651	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+Hac-H"	59.013851
"1500952"	370.150751	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Hac-H"	59.013851
"966312"	378.117051	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-H+NaCOOH"	66.980151
"123244"	346.106302	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+2Cl"	69.938804
"562073"	501.674752	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+2Cl"	69.938804
"1035250"	190.537852	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2Cl"	69.938804
"1256963"	390.055785	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Br"	78.918885
"1319892"	392.111772	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Cl+HCOOH"	80.974872
"1335512"	414.093729	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Cl+NaCOOH"	102.956829
"925349"	424.122486	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M-H+CF3COOH"	112.985586
"1304178"	460.099164	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Cl+CF3COOH"	148.962264
"1382726"	276.124224	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H-2H2O"	-35.012676
"1396742"	294.1342	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H-H2O"	-17.0027
"291690"	623.281076	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+H"	1.007276
"686298"	934.417976	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+H"	1.007276
"1366742"	312.144176	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H"	1.007276
"141300"	312.144176	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+2H"	2.014552
"581223"	467.712626	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+2H"	2.014552
"1052280"	156.575726	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2H"	2.014552
"216535"	208.431876	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+3H"	3.021828
"659773"	312.144176	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+3H"	3.021828
"1173860"	104.719576	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+3H"	3.021828
"430573"	640.307623	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+NH4"	18.033823
"790470"	951.444523	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+NH4"	18.033823
"1684617"	329.170723	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+NH4"	18.033823
"338364"	320.6574495	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+H+NH4"	19.041099
"734798"	476.2258995	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+H+NH4"	19.041099
"1488986"	165.0889995	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H+NH4"	19.041099
"406570"	645.263018	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+Na"	22.989218
"767567"	956.399918	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+Na"	22.989218
"1614572"	334.126118	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Na"	22.989218
"329394"	323.135147	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+H+Na"	23.996494
"719222"	478.703597	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+H+Na"	23.996494
"1474135"	167.566697	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H+Na"	23.996494
"1064100"	112.04689	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2H+Na"	25.00377
"1269060"	344.170386	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+CH3OH+H"	33.033486
"386541"	661.236958	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+K"	38.963158
"753004"	972.373858	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+K"	38.963158
"1546310"	350.100058	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+K"	38.963158
"308953"	331.122117	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+H+K"	39.970434
"698095"	486.690567	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+H+K"	39.970434
"1455197"	175.553667	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H+K"	39.970434
"242705"	664.307626	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+ACN+H"	42.033826
"1215412"	353.170726	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+ACN+H"	42.033826
"1195406"	177.089001	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+ACN+2H"	43.041102
"193629"	667.24496	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+2Na-H"	44.97116
"632824"	978.38186	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+2Na-H"	44.97116
"1139617"	356.10806	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2Na-H"	44.97116
"182908"	334.126118	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+2Na"	45.978436
"619187"	489.694568	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+2Na"	45.978436
"1127067"	178.557668	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2Na"	45.978436
"1411684"	119.374204	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H+2Na"	46.985712
"1445262"	358.149646	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H+HCOOH"	47.012746
"230216"	339.15914	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+3H2O+2H"	56.04448
"1516091"	372.20169	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+IsoProp+H"	61.06479
"413591"	342.113088	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+Na+K"	61.952376
"784064"	497.681538	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+Na+K"	61.952376
"1679664"	186.544638	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Na+K"	61.952376
"263998"	686.289568	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+ACN+Na"	64.015768
"1238893"	375.152668	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+ACN+Na"	64.015768
"1725593"	375.176193	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+NH4+HCOOH"	64.039293
"1185481"	126.701518	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+3Na"	68.967654
"1657562"	380.131588	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Na+HCOOH"	68.994688
"162235"	699.19284	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+2K-H"	76.91904
"607262"	1010.32974	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+2K-H"	76.91904
"1093961"	388.05594	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2K-H"	76.91904
"146770"	350.100058	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"2M+2K"	77.926316
"584872"	505.668508	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"3M+2K"	77.926316
"1074852"	194.531608	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2K"	77.926316
"1106969"	390.070492	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2K+H"	78.933592
"1344446"	390.158107	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+DMSO+H"	79.021207
"1017349"	394.197276	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2ACN+H"	83.060376
"1533288"	395.190908	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+IsoProp+Na+H"	84.054008
"994269"	197.602276	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+2ACN+2H"	84.067652
"1588524"	396.105528	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+K+HCOOH"	84.968628
"1415647"	426.137038	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+H+CF3COOH"	115.000138
"1148362"	218.115551	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+3ACN+2H"	125.094202
"1697918"	443.163585	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+NH4+CF3COOH"	132.026685
"1635386"	448.11898	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+Na+CF3COOH"	136.98208
"1574324"	464.09292	"C20027"	"Isodomoic acid A"	"C15H21NO6"	"311.1369"	"M+K+CF3COOH"	152.95602
"811251"	2634.4534	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M"	0
"982601"	2615.43501	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-H2O-H"	-19.01839
"66470"	1755.29499066667	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M-3H"	-3.021828
"503014"	2633.446124	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M-3H"	-3.021828
"882735"	877.143857333333	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-3H"	-3.021828
"7872"	2633.446124	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M-2H"	-2.014552
"442330"	3950.672824	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M-2H"	-2.014552
"817378"	1316.219424	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-2H"	-2.014552
"80855"	5267.899524	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M-H"	-1.007276
"519320"	7902.352924	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M-H"	-1.007276
"897128"	2633.446124	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-H"	-1.007276
"47371"	5284.926071	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M-2H+NH4"	16.019271
"497626"	7919.379471	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M-2H+NH4"	16.019271
"866679"	2650.472671	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-2H+NH4"	16.019271
"34581"	5289.881466	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M-2H+Na"	20.974666
"481798"	7924.334866	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M-2H+Na"	20.974666
"861787"	2655.428066	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-2H+Na"	20.974666
"1633471"	2655.428066	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Na-2H"	20.974666
"107854"	2651.434463	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M-H+Cl"	33.962126
"544862"	3968.661163	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M-H+Cl"	33.962126
"936552"	1334.207763	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-H+Cl"	33.962126
"277295"	5303.876202	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+Cl"	34.969402
"672632"	7938.329602	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+Cl"	34.969402
"1283213"	2669.422802	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Cl"	34.969402
"26863"	5305.855406	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M-2H+K"	36.948606
"469704"	7940.308806	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M-2H+K"	36.948606
"847142"	2671.402006	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-2H+K"	36.948606
"1569901"	2671.402006	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+K-2H"	36.948606
"952314"	2679.451594	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-H+HCOOH"	44.998194
"366156"	5313.905001	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+HCOOH-H"	44.998201
"355509"	5327.920651	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+Hac-H"	59.013851
"1503249"	2693.467251	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Hac-H"	59.013851
"966422"	2701.433551	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-H+NaCOOH"	66.980151
"121530"	2669.422802	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+2Cl"	69.938804
"562911"	3986.649502	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+2Cl"	69.938804
"1030249"	1352.196102	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2Cl"	69.938804
"1250920"	2713.372285	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Br"	78.918885
"1315923"	2715.428272	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Cl+HCOOH"	80.974872
"1333787"	2737.410229	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Cl+NaCOOH"	102.956829
"925823"	2747.438986	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M-H+CF3COOH"	112.985586
"1301190"	2783.415664	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Cl+CF3COOH"	148.962264
"1382031"	2599.440724	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H-2H2O"	-35.012676
"1397945"	2617.4507	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H-H2O"	-17.0027
"297630"	5269.914076	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+H"	1.007276
"680941"	7904.367476	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+H"	1.007276
"1365307"	2635.460676	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H"	1.007276
"140506"	2635.460676	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+2H"	2.014552
"578850"	3952.687376	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+2H"	2.014552
"1051294"	1318.233976	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2H"	2.014552
"217737"	1757.30954266667	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+3H"	3.021828
"653655"	2635.460676	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+3H"	3.021828
"1170690"	879.158409333333	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+3H"	3.021828
"430681"	5286.940623	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+NH4"	18.033823
"786450"	7921.394023	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+NH4"	18.033823
"1684726"	2652.487223	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+NH4"	18.033823
"332642"	2643.9739495	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+H+NH4"	19.041099
"734179"	3961.2006495	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+H+NH4"	19.041099
"1486909"	1326.7472495	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H+NH4"	19.041099
"405587"	5291.896018	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+Na"	22.989218
"765491"	7926.349418	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+Na"	22.989218
"1613589"	2657.442618	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Na"	22.989218
"328972"	2646.451647	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+H+Na"	23.996494
"719330"	3963.678347	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+H+Na"	23.996494
"1469871"	1329.224947	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H+Na"	23.996494
"1059837"	886.485723333333	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2H+Na"	25.00377
"1268076"	2667.486886	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+CH3OH+H"	33.033486
"383371"	5307.869958	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+K"	38.963158
"744366"	7942.323358	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+K"	38.963158
"1546420"	2673.416558	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+K"	38.963158
"307969"	2654.438617	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+H+K"	39.970434
"696018"	3971.665317	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+H+K"	39.970434
"1452027"	1337.211917	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H+K"	39.970434
"237347"	5310.940626	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+ACN+H"	42.033826
"1210781"	2676.487226	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+ACN+H"	42.033826
"1194337"	1338.747251	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+ACN+2H"	43.041102
"191187"	5313.87796	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+2Na-H"	44.97116
"633663"	7948.33136	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+2Na-H"	44.97116
"1139727"	2679.42456	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2Na-H"	44.97116
"183018"	2657.442618	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+2Na"	45.978436
"617107"	3974.669318	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+2Na"	45.978436
"1123897"	1340.215918	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2Na"	45.978436
"1411430"	893.813037333333	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H+2Na"	46.985712
"1443911"	2681.466146	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H+HCOOH"	47.012746
"230326"	2662.47564	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+3H2O+2H"	56.04448
"1516201"	2695.51819	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+IsoProp+H"	61.06479
"413701"	2665.429588	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+Na+K"	61.952376
"783444"	3982.656288	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+Na+K"	61.952376
"1680504"	1348.202888	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Na+K"	61.952376
"265201"	5332.922568	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+ACN+Na"	64.015768
"1239003"	2698.469168	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+ACN+Na"	64.015768
"1726554"	2698.492693	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+NH4+HCOOH"	64.039293
"1189963"	901.140351333333	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+3Na"	68.967654
"1659857"	2703.448088	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Na+HCOOH"	68.994688
"165625"	5345.82584	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+2K-H"	76.91904
"606278"	7980.27924	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+2K-H"	76.91904
"1088604"	2711.37244	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2K-H"	76.91904
"146880"	2673.416558	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"2M+2K"	77.926316
"584982"	3990.643258	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"3M+2K"	77.926316
"1071681"	1356.189858	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2K"	77.926316
"1103798"	2713.386992	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2K+H"	78.933592
"1343463"	2713.474607	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+DMSO+H"	79.021207
"1015272"	2717.513776	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2ACN+H"	83.060376
"1530118"	2718.507408	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+IsoProp+Na+H"	84.054008
"994379"	1359.260526	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+2ACN+2H"	84.067652
"1588998"	2719.422028	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+K+HCOOH"	84.968628
"1415636"	2749.453538	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+H+CF3COOH"	115.000138
"1148472"	1379.773801	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+3ACN+2H"	125.094202
"1697664"	2766.480085	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+NH4+CF3COOH"	132.026685
"1634646"	2771.43548	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+Na+CF3COOH"	136.98208
"1574434"	2787.40942	"C20028"	"Ostreocin D"	"C127H219N3O53"	"2634.4534"	"M+K+CF3COOH"	152.95602
"810268"	1187.6009	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M"	0
"981618"	1168.58251	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-H2O-H"	-19.01839
"65487"	790.726657333333	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M-3H"	-3.021828
"507230"	1186.593624	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M-3H"	-3.021828
"885033"	394.859690666667	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-3H"	-3.021828
"9075"	1186.593624	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M-2H"	-2.014552
"444262"	1780.394074	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M-2H"	-2.014552
"822067"	592.793174	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-2H"	-2.014552
"80965"	2374.194524	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M-H"	-1.007276
"521620"	3561.795424	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M-H"	-1.007276
"897109"	1186.593624	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-H"	-1.007276
"47246"	2391.221071	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M-2H+NH4"	16.019271
"489708"	3578.821971	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M-2H+NH4"	16.019271
"865695"	1203.620171	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-2H+NH4"	16.019271
"34691"	2396.176466	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M-2H+Na"	20.974666
"478628"	3583.777366	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M-2H+Na"	20.974666
"854242"	1208.575566	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-2H+Na"	20.974666
"1633620"	1208.575566	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Na-2H"	20.974666
"106869"	1204.581963	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M-H+Cl"	33.962126
"548983"	1798.382413	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M-H+Cl"	33.962126
"936662"	610.781513	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-H+Cl"	33.962126
"278499"	2410.171202	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+Cl"	34.969402
"673106"	3597.772102	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+Cl"	34.969402
"1283323"	1222.570302	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Cl"	34.969402
"25880"	2412.150406	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M-2H+K"	36.948606
"469814"	3599.751306	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M-2H+K"	36.948606
"846523"	1224.549506	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-2H+K"	36.948606
"1570011"	1224.549506	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+K-2H"	36.948606
"954611"	1232.599094	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-H+HCOOH"	44.998194
"368453"	2420.200001	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+HCOOH-H"	44.998201
"357806"	2434.215651	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+Hac-H"	59.013851
"1498987"	1246.614751	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Hac-H"	59.013851
"968719"	1254.581051	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-H+NaCOOH"	66.980151
"119452"	1222.570302	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+2Cl"	69.938804
"560469"	1816.370752	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+2Cl"	69.938804
"1029266"	628.769852	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2Cl"	69.938804
"1249938"	1266.519785	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Br"	78.918885
"1313480"	1268.575772	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Cl+HCOOH"	80.974872
"1333897"	1290.557729	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Cl+NaCOOH"	102.956829
"924597"	1300.586486	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M-H+CF3COOH"	112.985586
"1301665"	1336.563164	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Cl+CF3COOH"	148.962264
"1382143"	1152.588224	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H-2H2O"	-35.012676
"1395501"	1170.5982	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H-H2O"	-17.0027
"293000"	2376.209076	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+H"	1.007276
"686154"	3563.809976	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+H"	1.007276
"1363960"	1188.608176	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H"	1.007276
"140129"	1188.608176	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+2H"	2.014552
"579813"	1782.408626	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+2H"	2.014552
"1049220"	594.807726	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2H"	2.014552
"214203"	792.741209333333	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+3H"	3.021828
"651578"	1188.608176	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+3H"	3.021828
"1163510"	396.874242666667	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+3H"	3.021828
"428603"	2393.235623	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+NH4"	18.033823
"785723"	3580.836523	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+NH4"	18.033823
"1684837"	1205.634723	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+NH4"	18.033823
"332388"	1197.1214495	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+H+NH4"	19.041099
"732103"	1790.9218995	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+H+NH4"	19.041099
"1488112"	603.3209995	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H+NH4"	19.041099
"403511"	2398.191018	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+Na"	22.989218
"768639"	3585.791918	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+Na"	22.989218
"1613699"	1210.590118	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Na"	22.989218
"327016"	1199.599147	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+H+Na"	23.996494
"719440"	1793.399597	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+H+Na"	23.996494
"1467794"	605.798697	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H+Na"	23.996494
"1057760"	404.201556666667	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2H+Na"	25.00377
"1269279"	1220.634386	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+CH3OH+H"	33.033486
"387855"	2414.164958	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+K"	38.963158
"745570"	3601.765858	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+K"	38.963158
"1544343"	1226.564058	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+K"	38.963158
"310267"	1207.586117	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+H+K"	39.970434
"701596"	1801.386567	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+H+K"	39.970434
"1448128"	613.785667	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H+K"	39.970434
"238551"	2417.235626	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+ACN+H"	42.033826
"1210770"	1229.634726	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+ACN+H"	42.033826
"1194329"	615.321001	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+ACN+2H"	43.041102
"191297"	2420.17296	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+2Na-H"	44.97116
"630492"	3607.77386	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+2Na-H"	44.97116
"1144212"	1232.57206	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2Na-H"	44.97116
"186044"	1210.590118	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+2Na"	45.978436
"619041"	1804.390568	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+2Na"	45.978436
"1127287"	616.789668	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2Na"	45.978436
"1407530"	411.528870666667	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H+2Na"	46.985712
"1439647"	1234.613646	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H+HCOOH"	47.012746
"227157"	1215.62314	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+3H2O+2H"	56.04448
"1517406"	1248.66569	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+IsoProp+H"	61.06479
"411625"	1218.577088	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+Na+K"	61.952376
"783554"	1812.377538	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+Na+K"	61.952376
"1679885"	624.776638	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Na+K"	61.952376
"264950"	2439.217568	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+ACN+Na"	64.015768
"1238019"	1251.616668	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+ACN+Na"	64.015768
"1725813"	1251.640193	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+NH4+HCOOH"	64.039293
"1188980"	418.856184666667	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+3Na"	68.967654
"1656687"	1256.595588	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Na+HCOOH"	68.994688
"165735"	2452.12084	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+2K-H"	76.91904
"607482"	3639.72174	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+2K-H"	76.91904
"1087621"	1264.51994	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2K-H"	76.91904
"145897"	1226.564058	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"2M+2K"	77.926316
"585094"	1820.364508	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"3M+2K"	77.926316
"1072887"	632.763608	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2K"	77.926316
"1103908"	1266.534492	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2K+H"	78.933592
"1344667"	1266.622107	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+DMSO+H"	79.021207
"1014289"	1270.661276	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2ACN+H"	83.060376
"1532415"	1271.654908	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+IsoProp+Na+H"	84.054008
"995583"	635.834276	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+2ACN+2H"	84.067652
"1588992"	1272.569528	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+K+HCOOH"	84.968628
"1415746"	1302.601038	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+H+CF3COOH"	115.000138
"1148582"	656.347551	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+3ACN+2H"	125.094202
"1697774"	1319.627585	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+NH4+CF3COOH"	132.026685
"1634635"	1324.58298	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+Na+CF3COOH"	136.98208
"1574544"	1340.55692	"C20029"	"Eledoisin"	"C54H85N13O15S"	"1187.6009"	"M+K+CF3COOH"	152.95602
"810378"	802.365	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M"	0
"981728"	783.34661	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-H2O-H"	-19.01839
"71064"	533.902724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M-3H"	-3.021828
"509528"	801.357724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M-3H"	-3.021828
"884050"	266.447724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-3H"	-3.021828
"13195"	801.357724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M-2H"	-2.014552
"448748"	1202.540224	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M-2H"	-2.014552
"823271"	400.175224	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-2H"	-2.014552
"82168"	1603.722724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M-H"	-1.007276
"525009"	2406.087724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M-H"	-1.007276
"895843"	801.357724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-H"	-1.007276
"47163"	1620.749271	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M-2H+NH4"	16.019271
"487752"	2423.114271	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M-2H+NH4"	16.019271
"864954"	818.384271	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-2H+NH4"	16.019271
"38081"	1625.704666	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M-2H+Na"	20.974666
"479831"	2428.069666	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M-2H+Na"	20.974666
"852166"	823.339666	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-2H+Na"	20.974666
"1632273"	823.339666	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Na-2H"	20.974666
"108804"	819.346063	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M-H+Cl"	33.962126
"548728"	1220.528563	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M-H+Cl"	33.962126
"934585"	418.163563	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-H+Cl"	33.962126
"277517"	1639.699402	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+Cl"	34.969402
"671031"	2442.064402	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+Cl"	34.969402
"1283434"	837.334402	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Cl"	34.969402
"27083"	1641.678606	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M-2H+K"	36.948606
"467373"	2444.043606	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M-2H+K"	36.948606
"843352"	839.313606	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-2H+K"	36.948606
"1566840"	839.313606	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+K-2H"	36.948606
"954721"	847.363194	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-H+HCOOH"	44.998194
"368563"	1649.728201	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+HCOOH-H"	44.998201
"351357"	1663.743851	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+Hac-H"	59.013851
"1499098"	861.378851	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Hac-H"	59.013851
"971016"	869.345151	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-H+NaCOOH"	66.980151
"118831"	837.334402	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+2Cl"	69.938804
"561305"	1238.516902	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+2Cl"	69.938804
"1029374"	436.151902	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2Cl"	69.938804
"1251141"	881.283885	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Br"	78.918885
"1314683"	883.339872	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Cl+HCOOH"	80.974872
"1333276"	905.321829	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Cl+NaCOOH"	102.956829
"916679"	915.350586	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M-H+CF3COOH"	112.985586
"1301044"	951.327264	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Cl+CF3COOH"	148.962264
"1382490"	767.352324	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H-2H2O"	-35.012676
"1395611"	785.3623	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H-H2O"	-17.0027
"293474"	1605.737276	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+H"	1.007276
"682254"	2408.102276	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+H"	1.007276
"1364069"	803.372276	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H"	1.007276
"140118"	803.372276	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+2H"	2.014552
"580044"	1204.554776	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+2H"	2.014552
"1049330"	402.189776	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2H"	2.014552
"214677"	535.917276	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+3H"	3.021828
"650593"	803.372276	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+3H"	3.021828
"1163620"	268.462276	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+3H"	3.021828
"428713"	1622.763823	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+NH4"	18.033823
"785653"	2425.128823	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+NH4"	18.033823
"1684947"	820.398823	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+NH4"	18.033823
"335414"	811.8855495	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+H+NH4"	19.041099
"732213"	1213.0680495	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+H+NH4"	19.041099
"1488222"	410.7030495	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H+NH4"	19.041099
"403621"	1627.719218	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+Na"	22.989218
"768385"	2430.084218	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+Na"	22.989218
"1613809"	825.354218	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Na"	22.989218
"328952"	814.363247	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+H+Na"	23.996494
"718458"	1215.545747	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+H+Na"	23.996494
"1467904"	413.180747	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H+Na"	23.996494
"1055317"	275.78959	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2H+Na"	25.00377
"1268296"	835.398486	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+CH3OH+H"	33.033486
"387966"	1643.693158	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+K"	38.963158
"745680"	2446.058158	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+K"	38.963158
"1548827"	841.328158	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+K"	38.963158
"311470"	822.350217	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+H+K"	39.970434
"702797"	1223.532717	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+H+K"	39.970434
"1452248"	421.167717	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H+K"	39.970434
"241942"	1646.763826	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+ACN+H"	42.033826
"1211369"	844.398826	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+ACN+H"	42.033826
"1194438"	422.703051	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+ACN+2H"	43.041102
"191042"	1649.70116	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+2Na-H"	44.97116
"628601"	2452.06616	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+2Na-H"	44.97116
"1146883"	847.33616	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2Na-H"	44.97116
"185061"	825.354218	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+2Na"	45.978436
"618787"	1226.536718	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+2Na"	45.978436
"1129949"	424.171718	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2Na"	45.978436
"1407640"	283.116904	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H+2Na"	46.985712
"1444982"	849.377746	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H+HCOOH"	47.012746
"230547"	830.38724	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+3H2O+2H"	56.04448
"1519702"	863.42979	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+IsoProp+H"	61.06479
"418295"	833.341188	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+Na+K"	61.952376
"782571"	1234.523688	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+Na+K"	61.952376
"1678902"	432.158688	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Na+K"	61.952376
"265424"	1668.745768	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+ACN+Na"	64.015768
"1239223"	866.380768	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+ACN+Na"	64.015768
"1727504"	866.404293	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+NH4+HCOOH"	64.039293
"1189090"	290.444218	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+3Na"	68.967654
"1660076"	871.359688	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Na+HCOOH"	68.994688
"163658"	1681.64904	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+2K-H"	76.91904
"607591"	2484.01404	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+2K-H"	76.91904
"1089918"	879.28404	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2K-H"	76.91904
"144185"	841.328158	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"2M+2K"	77.926316
"584111"	1242.510658	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"3M+2K"	77.926316
"1075184"	440.145658	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2K"	77.926316
"1102924"	881.298592	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2K+H"	78.933592
"1340402"	881.386207	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+DMSO+H"	79.021207
"1013303"	885.425376	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2ACN+H"	83.060376
"1529243"	886.419008	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+IsoProp+Na+H"	84.054008
"994599"	443.216326	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+2ACN+2H"	84.067652
"1589102"	887.333628	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+K+HCOOH"	84.968628
"1420229"	917.365138	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+H+CF3COOH"	115.000138
"1147398"	463.729601	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+3ACN+2H"	125.094202
"1697884"	934.391685	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+NH4+CF3COOH"	132.026685
"1634195"	939.34708	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+Na+CF3COOH"	136.98208
"1574654"	955.32102	"C20030"	"Dermorphin"	"C40H50N8O10"	"802.365"	"M+K+CF3COOH"	152.95602
"811581"	251.2249	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M"	0
"981840"	232.20651	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-H2O-H"	-19.01839
"73362"	166.475990666667	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M-3H"	-3.021828
"503568"	250.217624	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M-3H"	-3.021828
"881247"	82.7343573333333	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-3H"	-3.021828
"4928"	250.217624	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M-2H"	-2.014552
"440599"	375.830074	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M-2H"	-2.014552
"817462"	124.605174	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-2H"	-2.014552
"79608"	501.442524	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M-H"	-1.007276
"519283"	752.667424	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M-H"	-1.007276
"897458"	250.217624	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-H"	-1.007276
"48675"	518.469071	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M-2H+NH4"	16.019271
"489317"	769.693971	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M-2H+NH4"	16.019271
"877585"	267.244171	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-2H+NH4"	16.019271
"44392"	523.424466	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M-2H+Na"	20.974666
"485410"	774.649366	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M-2H+Na"	20.974666
"863096"	272.199566	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-2H+Na"	20.974666
"1633116"	272.199566	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Na-2H"	20.974666
"107456"	268.205963	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M-H+Cl"	33.962126
"545555"	393.818413	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M-H+Cl"	33.962126
"935790"	142.593513	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-H+Cl"	33.962126
"277993"	537.419202	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+Cl"	34.969402
"670050"	788.644102	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+Cl"	34.969402
"1286099"	286.194302	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Cl"	34.969402
"23915"	539.398406	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M-2H+K"	36.948606
"467850"	790.623306	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M-2H+K"	36.948606
"844923"	288.173506	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-2H+K"	36.948606
"1564763"	288.173506	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+K-2H"	36.948606
"956293"	296.223094	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-H+HCOOH"	44.998194
"373049"	547.448001	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+HCOOH-H"	44.998201
"351471"	561.463651	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+Hac-H"	59.013851
"1498118"	310.238751	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Hac-H"	59.013851
"964566"	318.205051	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-H+NaCOOH"	66.980151
"120037"	286.194302	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+2Cl"	69.938804
"557407"	411.806752	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+2Cl"	69.938804
"1031677"	160.581852	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2Cl"	69.938804
"1254172"	330.143785	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Br"	78.918885
"1318808"	332.199772	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Cl+HCOOH"	80.974872
"1333026"	354.181729	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Cl+NaCOOH"	102.956829
"923723"	364.210486	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M-H+CF3COOH"	112.985586
"1302613"	400.187164	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Cl+CF3COOH"	148.962264
"1378222"	216.212224	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H-2H2O"	-35.012676
"1393533"	234.2222	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H-H2O"	-17.0027
"294313"	503.457076	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+H"	1.007276
"690263"	754.681976	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+H"	1.007276
"1359807"	252.232176	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H"	1.007276
"137071"	252.232176	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+2H"	2.014552
"577725"	377.844626	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+2H"	2.014552
"1050535"	126.619726	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2H"	2.014552
"216615"	168.490542666667	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+3H"	3.021828
"651800"	252.232176	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+3H"	3.021828
"1163729"	84.7489093333333	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+3H"	3.021828
"427730"	520.483623	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+NH4"	18.033823
"788727"	771.708523	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+NH4"	18.033823
"1682140"	269.258723	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+NH4"	18.033823
"335523"	260.7454495	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+H+NH4"	19.041099
"735240"	386.3578995	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+H+NH4"	19.041099
"1488333"	135.1329995	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H+NH4"	19.041099
"404462"	525.439018	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+Na"	22.989218
"766916"	776.663918	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+Na"	22.989218
"1613924"	274.214118	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Na"	22.989218
"323961"	263.223147	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+H+Na"	23.996494
"719660"	388.835597	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+H+Na"	23.996494
"1466922"	137.610697	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H+Na"	23.996494
"1057980"	92.0762233333333	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2H+Na"	25.00377
"1266220"	284.258386	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+CH3OH+H"	33.033486
"385888"	541.412958	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+K"	38.963158
"746884"	792.637858	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+K"	38.963158
"1548937"	290.188058	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+K"	38.963158
"311580"	271.210117	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+H+K"	39.970434
"704001"	396.822567	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+H+K"	39.970434
"1448349"	145.597667	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H+K"	39.970434
"236220"	544.483626	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+ACN+H"	42.033826
"1210508"	293.258726	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+ACN+H"	42.033826
"1194382"	147.133001	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+ACN+2H"	43.041102
"192246"	547.42096	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+2Na-H"	44.97116
"628758"	798.64586	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+2Na-H"	44.97116
"1145775"	296.19606	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2Na-H"	44.97116
"187732"	274.214118	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+2Na"	45.978436
"627291"	399.826568	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+2Na"	45.978436
"1128236"	148.601668	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2Na"	45.978436
"1412612"	99.4035373333333	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H+2Na"	46.985712
"1444856"	298.237646	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H+HCOOH"	47.012746
"235035"	279.24714	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+3H2O+2H"	56.04448
"1522486"	312.28969	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+IsoProp+H"	61.06479
"423392"	282.201088	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+Na+K"	61.952376
"782683"	407.813538	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+Na+K"	61.952376
"1679014"	156.588638	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Na+K"	61.952376
"264441"	566.465568	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+ACN+Na"	64.015768
"1236058"	315.240668	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+ACN+Na"	64.015768
"1726032"	315.264193	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+NH4+HCOOH"	64.039293
"1190293"	106.730851333333	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+3Na"	68.967654
"1662372"	320.219588	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Na+HCOOH"	68.994688
"169235"	579.36884	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+2K-H"	76.91904
"610617"	830.59374	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+2K-H"	76.91904
"1089667"	328.14394	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2K-H"	76.91904
"145025"	290.188058	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"2M+2K"	77.926316
"582398"	415.800508	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"3M+2K"	77.926316
"1070919"	164.575608	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2K"	77.926316
"1104125"	330.158492	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2K+H"	78.933592
"1337231"	330.246107	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+DMSO+H"	79.021207
"1009041"	334.285276	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2ACN+H"	83.060376
"1528260"	335.278908	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+IsoProp+Na+H"	84.054008
"994708"	167.646276	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+2ACN+2H"	84.067652
"1590305"	336.193528	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+K+HCOOH"	84.968628
"1415234"	366.225038	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+H+CF3COOH"	115.000138
"1147222"	188.159551	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+3ACN+2H"	125.094202
"1698112"	383.251585	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+NH4+CF3COOH"	132.026685
"1635832"	388.20698	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+Na+CF3COOH"	136.98208
"1574764"	404.18092	"C20031"	"Pumiliotoxin 251D;PTX 251D"	"C16H29NO"	"251.2249"	"M+K+CF3COOH"	152.95602
"814974"	417.2515	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M"	0
"985229"	398.23311	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-H2O-H"	-19.01839
"73471"	277.160390666667	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M-3H"	-3.021828
"508656"	416.244224	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M-3H"	-3.021828
"880993"	138.076557333333	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-3H"	-3.021828
"7224"	416.244224	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M-2H"	-2.014552
"441317"	624.869974	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M-2H"	-2.014552
"817250"	207.618474	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-2H"	-2.014552
"78987"	833.495724	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M-H"	-1.007276
"519028"	1250.747224	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M-H"	-1.007276
"897080"	416.244224	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-H"	-1.007276
"48906"	850.522271	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M-2H+NH4"	16.019271
"488581"	1267.773771	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M-2H+NH4"	16.019271
"877695"	433.270771	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-2H+NH4"	16.019271
"44140"	855.477666	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M-2H+Na"	20.974666
"485159"	1272.729166	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M-2H+Na"	20.974666
"860774"	438.226166	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-2H+Na"	20.974666
"1631765"	438.226166	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Na-2H"	20.974666
"105740"	434.232563	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M-H+Cl"	33.962126
"543478"	642.858313	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M-H+Cl"	33.962126
"941371"	225.606813	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-H+Cl"	33.962126
"279927"	869.472402	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+Cl"	34.969402
"669794"	1286.723902	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+Cl"	34.969402
"1285481"	452.220902	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Cl"	34.969402
"24755"	871.451606	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M-2H+K"	36.948606
"464680"	1288.703106	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M-2H+K"	36.948606
"838108"	454.200106	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-2H+K"	36.948606
"1565969"	454.200106	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+K-2H"	36.948606
"951664"	462.249694	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-H+HCOOH"	44.998194
"369878"	879.501201	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+HCOOH-H"	44.998201
"356687"	893.516851	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+Hac-H"	59.013851
"1503331"	476.265351	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Hac-H"	59.013851
"966863"	484.231651	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-H+NaCOOH"	66.980151
"120147"	452.220902	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+2Cl"	69.938804
"557518"	660.846652	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+2Cl"	69.938804
"1033609"	243.595152	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2Cl"	69.938804
"1255016"	496.170385	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Br"	78.918885
"1319772"	498.226372	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Cl+HCOOH"	80.974872
"1333501"	520.208329	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Cl+NaCOOH"	102.956829
"926382"	530.237086	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M-H+CF3COOH"	112.985586
"1304112"	566.213764	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Cl+CF3COOH"	148.962264
"1381979"	382.238824	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H-2H2O"	-35.012676
"1392552"	400.2488	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H-H2O"	-17.0027
"293333"	835.510276	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+H"	1.007276
"686847"	1252.761776	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+H"	1.007276
"1364655"	418.258776	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H"	1.007276
"137178"	418.258776	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+2H"	2.014552
"578927"	626.884526	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+2H"	2.014552
"1045538"	209.633026	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2H"	2.014552
"215994"	279.174942666667	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+3H"	3.021828
"651909"	418.258776	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+3H"	3.021828
"1165661"	140.091109333333	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+3H"	3.021828
"424297"	852.536823	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+NH4"	18.033823
"789931"	1269.788323	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+NH4"	18.033823
"1682980"	435.285323	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+NH4"	18.033823
"333811"	426.7720495	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+H+NH4"	19.041099
"735714"	635.3977995	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+H+NH4"	19.041099
"1491722"	218.1462995	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H+NH4"	19.041099
"407122"	857.492218	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+Na"	22.989218
"768118"	1274.743718	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+Na"	22.989218
"1617314"	440.240718	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Na"	22.989218
"327351"	429.249747	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+H+Na"	23.996494
"719771"	637.875497	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+H+Na"	23.996494
"1473594"	220.623997	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H+Na"	23.996494
"1060277"	147.418423333333	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2H+Na"	25.00377
"1263050"	450.284986	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+CH3OH+H"	33.033486
"383811"	873.466158	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+K"	38.963158
"751367"	1290.717658	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+K"	38.963158
"1550140"	456.214658	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+K"	38.963158
"311690"	437.236717	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+H+K"	39.970434
"704841"	645.862467	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+H+K"	39.970434
"1451375"	228.610967	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H+K"	39.970434
"235844"	876.536826	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+ACN+H"	42.033826
"1210861"	459.285326	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+ACN+H"	42.033826
"1194730"	230.146301	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+ACN+2H"	43.041102
"193085"	879.47416	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+2Na-H"	44.97116
"628573"	1296.72566	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+2Na-H"	44.97116
"1146254"	462.22266	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2Na-H"	44.97116
"187475"	440.240718	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+2Na"	45.978436
"628253"	648.866468	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+2Na"	45.978436
"1130171"	231.614968	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2Na"	45.978436
"1412849"	154.745737333333	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H+2Na"	46.985712
"1444355"	464.264246	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H+HCOOH"	47.012746
"234173"	445.27374	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+3H2O+2H"	56.04448
"1523083"	478.31629	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+IsoProp+H"	61.06479
"421796"	448.227688	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+Na+K"	61.952376
"782791"	656.853438	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+Na+K"	61.952376
"1678030"	239.601938	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Na+K"	61.952376
"265524"	898.518768	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+ACN+Na"	64.015768
"1240056"	481.267268	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+ACN+Na"	64.015768
"1726142"	481.290793	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+NH4+HCOOH"	64.039293
"1190403"	162.073051333333	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+3Na"	68.967654
"1662482"	486.246188	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Na+HCOOH"	68.994688
"164969"	911.42204	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+2K-H"	76.91904
"605624"	1328.67354	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+2K-H"	76.91904
"1088684"	494.17054	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2K-H"	76.91904
"145136"	456.214658	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"2M+2K"	77.926316
"583602"	664.840408	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"3M+2K"	77.926316
"1070297"	247.588908	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2K"	77.926316
"1104233"	496.185092	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2K+H"	78.933592
"1335800"	496.272707	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+DMSO+H"	79.021207
"1007449"	500.311876	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2ACN+H"	83.060376
"1524764"	501.305508	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+IsoProp+Na+H"	84.054008
"990805"	250.659576	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+2ACN+2H"	84.067652
"1588349"	502.220128	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+K+HCOOH"	84.968628
"1414976"	532.251638	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+H+CF3COOH"	115.000138
"1147088"	271.172851	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+3ACN+2H"	125.094202
"1697371"	549.278185	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+NH4+CF3COOH"	132.026685
"1634847"	554.23358	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+Na+CF3COOH"	136.98208
"1574874"	570.20752	"C20032"	"Batrachotoxinin A"	"C24H35NO5"	"417.2515"	"M+K+CF3COOH"	152.95602
"811801"	307.2511	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M"	0
"985339"	288.23271	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-H2O-H"	-19.01839
"73581"	203.826790666667	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M-3H"	-3.021828
"509859"	306.243824	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M-3H"	-3.021828
"883289"	101.409757333333	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-3H"	-3.021828
"5147"	306.243824	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M-2H"	-2.014552
"442520"	459.869374	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M-2H"	-2.014552
"820683"	152.618274	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-2H"	-2.014552
"83592"	613.494924	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M-H"	-1.007276
"520359"	920.746024	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M-H"	-1.007276
"898767"	306.243824	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-H"	-1.007276
"49981"	630.521471	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M-2H+NH4"	16.019271
"489784"	937.772571	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M-2H+NH4"	16.019271
"867230"	323.270371	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-2H+NH4"	16.019271
"35134"	635.476866	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M-2H+Na"	20.974666
"485998"	942.727966	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M-2H+Na"	20.974666
"860519"	328.225766	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-2H+Na"	20.974666
"1630417"	328.225766	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Na-2H"	20.974666
"101841"	324.232163	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M-H+Cl"	33.962126
"542495"	477.857713	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M-H+Cl"	33.962126
"941481"	170.606613	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-H+Cl"	33.962126
"279308"	649.471602	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+Cl"	34.969402
"668082"	956.722702	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+Cl"	34.969402
"1285591"	342.220502	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Cl"	34.969402
"25229"	651.450806	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M-2H+K"	36.948606
"464790"	958.701906	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M-2H+K"	36.948606
"842590"	344.199706	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-2H+K"	36.948606
"1564986"	344.199706	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+K-2H"	36.948606
"955053"	352.249294	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-H+HCOOH"	44.998194
"372906"	659.500401	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+HCOOH-H"	44.998201
"356067"	673.516051	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+Hac-H"	59.013851
"1502347"	366.264951	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Hac-H"	59.013851
"965877"	374.231251	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-H+NaCOOH"	66.980151
"119162"	342.220502	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+2Cl"	69.938804
"558721"	495.846052	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+2Cl"	69.938804
"1032626"	188.594952	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2Cl"	69.938804
"1252569"	386.169985	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Br"	78.918885
"1308457"	388.225972	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Cl+HCOOH"	80.974872
"1332152"	410.207929	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Cl+NaCOOH"	102.956829
"924666"	420.236686	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M-H+CF3COOH"	112.985586
"1301740"	456.213364	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Cl+CF3COOH"	148.962264
"1382456"	272.238424	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H-2H2O"	-35.012676
"1397034"	290.2484	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H-H2O"	-17.0027
"292346"	615.509476	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+H"	1.007276
"686956"	922.760576	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+H"	1.007276
"1365128"	308.258376	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H"	1.007276
"138017"	308.258376	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+2H"	2.014552
"574661"	461.883926	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+2H"	2.014552
"1043462"	154.632826	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2H"	2.014552
"215738"	205.841342666667	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+3H"	3.021828
"649832"	308.258376	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+3H"	3.021828
"1165771"	103.424309333333	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+3H"	3.021828
"424422"	632.536023	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+NH4"	18.033823
"786274"	939.787123	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+NH4"	18.033823
"1681997"	325.284923	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+NH4"	18.033823
"333557"	316.7716495	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+H+NH4"	19.041099
"735824"	470.3971995	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+H+NH4"	19.041099
"1492440"	163.1460995	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H+NH4"	19.041099
"408083"	637.491418	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+Na"	22.989218
"768959"	944.742518	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+Na"	22.989218
"1617423"	330.240318	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Na"	22.989218
"326368"	319.249347	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+H+Na"	23.996494
"720975"	472.874897	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+H+Na"	23.996494
"1471517"	165.623797	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H+Na"	23.996494
"1059293"	110.751623333333	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2H+Na"	25.00377
"1266440"	340.284586	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+CH3OH+H"	33.033486
"383921"	653.465358	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+K"	38.963158
"751477"	960.716458	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+K"	38.963158
"1551342"	346.214258	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+K"	38.963158
"305239"	327.236317	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+H+K"	39.970434
"703856"	480.861867	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+H+K"	39.970434
"1449298"	173.610767	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H+K"	39.970434
"236801"	656.536026	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+ACN+H"	42.033826
"1210722"	349.284926	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+ACN+H"	42.033826
"1194765"	175.146101	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+ACN+2H"	43.041102
"191738"	659.47336	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+2Na-H"	44.97116
"629954"	966.72446	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+2Na-H"	44.97116
"1146125"	352.22226	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2Na-H"	44.97116
"188072"	330.240318	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+2Na"	45.978436
"628082"	483.865868	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+2Na"	45.978436
"1128821"	176.614768	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2Na"	45.978436
"1413566"	118.078937333333	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H+2Na"	46.985712
"1444712"	354.263846	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H+HCOOH"	47.012746
"234525"	335.27334	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+3H2O+2H"	56.04448
"1522465"	368.31589	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+IsoProp+H"	61.06479
"421906"	338.227288	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+Na+K"	61.952376
"782903"	491.852838	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+Na+K"	61.952376
"1679234"	184.601738	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Na+K"	61.952376
"265391"	678.517968	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+ACN+Na"	64.015768
"1239922"	371.266868	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+ACN+Na"	64.015768
"1726981"	371.290393	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+NH4+HCOOH"	64.039293
"1190513"	125.406251333333	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+3Na"	68.967654
"1662592"	376.245788	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Na+HCOOH"	68.994688
"165079"	691.42124	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+2K-H"	76.91904
"607921"	998.67234	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+2K-H"	76.91904
"1086606"	384.17014	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2K-H"	76.91904
"144152"	346.214258	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"2M+2K"	77.926316
"582250"	499.839808	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"3M+2K"	77.926316
"1070772"	192.588708	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2K"	77.926316
"1103250"	386.184692	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2K+H"	78.933592
"1336473"	386.272307	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+DMSO+H"	79.021207
"1010351"	390.311476	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2ACN+H"	83.060376
"1525076"	391.305108	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+IsoProp+Na+H"	84.054008
"993832"	195.659376	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+2ACN+2H"	84.067652
"1588820"	392.219728	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+K+HCOOH"	84.968628
"1415208"	422.251238	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+H+CF3COOH"	115.000138
"1148658"	216.172651	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+3ACN+2H"	125.094202
"1697964"	439.277785	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+NH4+CF3COOH"	132.026685
"1634957"	444.23318	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+Na+CF3COOH"	136.98208
"1573891"	460.20712	"C20033"	"Pumiliotoxin A"	"C19H33NO2"	"307.2511"	"M+K+CF3COOH"	152.95602
"810818"	267.2198	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M"	0
"988729"	248.20141	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-H2O-H"	-19.01839
"73694"	177.139257333333	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M-3H"	-3.021828
"515439"	266.212524	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M-3H"	-3.021828
"883401"	88.0659906666667	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-3H"	-3.021828
"5257"	266.212524	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M-2H"	-2.014552
"444817"	399.822424	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M-2H"	-2.014552
"824804"	132.602624	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-2H"	-2.014552
"88077"	533.432324	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M-H"	-1.007276
"524358"	800.652124	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M-H"	-1.007276
"897419"	266.212524	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-H"	-1.007276
"50337"	550.458871	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M-2H+NH4"	16.019271
"488682"	817.678671	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M-2H+NH4"	16.019271
"870620"	283.239071	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-2H+NH4"	16.019271
"41806"	555.414266	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M-2H+Na"	20.974666
"485379"	822.634066	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M-2H+Na"	20.974666
"858805"	288.194466	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-2H+Na"	20.974666
"1630891"	288.194466	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Na-2H"	20.974666
"107056"	284.200863	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M-H+Cl"	33.962126
"545521"	417.810763	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M-H+Cl"	33.962126
"939767"	150.590963	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-H+Cl"	33.962126
"281485"	569.409002	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+Cl"	34.969402
"671840"	836.628802	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+Cl"	34.969402
"1281689"	302.189202	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Cl"	34.969402
"26433"	571.388206	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M-2H+K"	36.948606
"464900"	838.608006	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M-2H+K"	36.948606
"841609"	304.168406	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-2H+K"	36.948606
"1564004"	304.168406	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+K-2H"	36.948606
"957357"	312.217994	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-H+HCOOH"	44.998194
"373385"	579.437801	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+HCOOH-H"	44.998201
"359093"	593.453451	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+Hac-H"	59.013851
"1505012"	326.233651	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Hac-H"	59.013851
"968174"	334.199951	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-H+NaCOOH"	66.980151
"122189"	302.189202	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+2Cl"	69.938804
"562117"	435.799102	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+2Cl"	69.938804
"1030919"	168.579302	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2Cl"	69.938804
"1253776"	346.138685	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Br"	78.918885
"1316952"	348.194672	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Cl+HCOOH"	80.974872
"1332994"	370.176629	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Cl+NaCOOH"	102.956829
"923687"	380.205386	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M-H+CF3COOH"	112.985586
"1304070"	416.182064	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Cl+CF3COOH"	148.962264
"1382526"	232.207124	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H-2H2O"	-35.012676
"1397145"	250.2171	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H-H2O"	-17.0027
"298372"	535.446876	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+H"	1.007276
"685976"	802.666676	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+H"	1.007276
"1363417"	268.227076	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H"	1.007276
"138495"	268.227076	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+2H"	2.014552
"579146"	401.836976	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+2H"	2.014552
"1049042"	134.617176	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2H"	2.014552
"218402"	179.153809333333	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+3H"	3.021828
"652129"	268.227076	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+3H"	3.021828
"1165881"	90.0805426666667	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+3H"	3.021828
"424900"	552.473423	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+NH4"	18.033823
"785976"	819.693223	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+NH4"	18.033823
"1681860"	285.253623	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+NH4"	18.033823
"334031"	276.7403495	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+H+NH4"	19.041099
"737759"	410.3502495	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+H+NH4"	19.041099
"1490852"	143.1304495	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H+NH4"	19.041099
"407345"	557.428818	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+Na"	22.989218
"768222"	824.648618	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+Na"	22.989218
"1615347"	290.209018	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Na"	22.989218
"327208"	279.218047	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+H+Na"	23.996494
"718901"	412.827947	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+H+Na"	23.996494
"1468347"	145.608147	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H+Na"	23.996494
"1063776"	97.4078566666667	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2H+Na"	25.00377
"1264365"	300.253286	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+CH3OH+H"	33.033486
"382940"	573.402758	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+K"	38.963158
"747215"	840.622558	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+K"	38.963158
"1552181"	306.182958	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+K"	38.963158
"305350"	287.205017	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+H+K"	39.970434
"698863"	420.814917	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+H+K"	39.970434
"1448314"	153.595117	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H+K"	39.970434
"235855"	576.473426	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+ACN+H"	42.033826
"1210223"	309.253626	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+ACN+H"	42.033826
"1194336"	155.130451	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+ACN+2H"	43.041102
"192941"	579.41076	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+2Na-H"	44.97116
"630678"	846.63056	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+2Na-H"	44.97116
"1146596"	312.19096	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2Na-H"	44.97116
"187582"	290.209018	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+2Na"	45.978436
"628233"	423.818918	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+2Na"	45.978436
"1130769"	156.599118	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2Na"	45.978436
"1413801"	104.735170666667	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H+2Na"	46.985712
"1444333"	314.232546	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H+HCOOH"	47.012746
"230624"	295.24204	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+3H2O+2H"	56.04448
"1520873"	328.28459	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+IsoProp+H"	61.06479
"423886"	298.195988	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+Na+K"	61.952376
"784960"	431.805888	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+Na+K"	61.952376
"1680812"	164.586088	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Na+K"	61.952376
"263679"	598.455368	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+ACN+Na"	64.015768
"1238573"	331.235568	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+ACN+Na"	64.015768
"1726003"	331.259093	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+NH4+HCOOH"	64.039293
"1191356"	112.062484666667	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+3Na"	68.967654
"1658332"	336.214488	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Na+HCOOH"	68.994688
"170661"	611.35864	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+2K-H"	76.91904
"608031"	878.57844	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+2K-H"	76.91904
"1095465"	344.13884	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2K-H"	76.91904
"143898"	306.182958	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"2M+2K"	77.926316
"584551"	439.792858	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"3M+2K"	77.926316
"1070519"	172.573058	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2K"	77.926316
"1100807"	346.153392	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2K+H"	78.933592
"1336955"	346.241007	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+DMSO+H"	79.021207
"1006575"	350.280176	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2ACN+H"	83.060376
"1526526"	351.273808	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+IsoProp+Na+H"	84.054008
"991391"	175.643726	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+2ACN+2H"	84.067652
"1588445"	352.188428	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+K+HCOOH"	84.968628
"1415321"	382.219938	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+H+CF3COOH"	115.000138
"1148771"	196.157001	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+3ACN+2H"	125.094202
"1697714"	399.246485	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+NH4+CF3COOH"	132.026685
"1634699"	404.20188	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+Na+CF3COOH"	136.98208
"1574001"	420.17582	"C20034"	"Allopumiliotoxin 267A"	"C16H29NO2"	"267.2198"	"M+K+CF3COOH"	152.95602
"809835"	416.2199	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M"	0
"988233"	397.20151	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-H2O-H"	-19.01839
"77815"	276.472657333333	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M-3H"	-3.021828
"513361"	415.212624	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M-3H"	-3.021828
"885695"	137.732690666667	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-3H"	-3.021828
"8643"	415.212624	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M-2H"	-2.014552
"444196"	623.322574	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M-2H"	-2.014552
"830383"	207.102674	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-2H"	-2.014552
"90373"	831.432524	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M-H"	-1.007276
"528841"	1247.652424	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M-H"	-1.007276
"897898"	415.212624	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-H"	-1.007276
"48625"	848.459071	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M-2H+NH4"	16.019271
"495116"	1264.678971	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M-2H+NH4"	16.019271
"869638"	432.239171	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-2H+NH4"	16.019271
"46377"	853.414466	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M-2H+Na"	20.974666
"486953"	1269.634366	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M-2H+Na"	20.974666
"863987"	437.194566	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-2H+Na"	20.974666
"1633190"	437.194566	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Na-2H"	20.974666
"109807"	433.200963	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M-H+Cl"	33.962126
"549690"	641.310913	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M-H+Cl"	33.962126
"942521"	225.091013	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-H+Cl"	33.962126
"282576"	867.409202	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+Cl"	34.969402
"674501"	1283.629102	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+Cl"	34.969402
"1282529"	451.189302	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Cl"	34.969402
"26180"	869.388406	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M-2H+K"	36.948606
"466834"	1285.608306	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M-2H+K"	36.948606
"843543"	453.168506	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-2H+K"	36.948606
"1565207"	453.168506	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+K-2H"	36.948606
"950904"	461.218094	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-H+HCOOH"	44.998194
"370214"	877.438001	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+HCOOH-H"	44.998201
"354100"	891.453651	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+Hac-H"	59.013851
"1501839"	475.233751	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Hac-H"	59.013851
"963911"	483.200051	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-H+NaCOOH"	66.980151
"116098"	451.189302	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+2Cl"	69.938804
"557850"	659.299252	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+2Cl"	69.938804
"1033577"	243.079352	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2Cl"	69.938804
"1250602"	495.138785	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Br"	78.918885
"1316332"	497.194772	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Cl+HCOOH"	80.974872
"1333830"	519.176729	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Cl+NaCOOH"	102.956829
"916142"	529.205486	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M-H+CF3COOH"	112.985586
"1302691"	565.182164	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Cl+CF3COOH"	148.962264
"1381946"	381.207224	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H-2H2O"	-35.012676
"1392882"	399.2172	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H-H2O"	-17.0027
"297306"	833.447076	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+H"	1.007276
"683899"	1249.666976	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+H"	1.007276
"1358059"	417.227176	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H"	1.007276
"137510"	417.227176	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+2H"	2.014552
"575978"	625.337126	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+2H"	2.014552
"1048058"	209.117226	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2H"	2.014552
"215961"	278.487209333333	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+3H"	3.021828
"647136"	417.227176	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+3H"	3.021828
"1164899"	139.747242666667	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+3H"	3.021828
"425253"	850.473623	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+NH4"	18.033823
"785652"	1266.693523	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+NH4"	18.033823
"1681609"	434.253723	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+NH4"	18.033823
"344721"	425.7404495	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+H+NH4"	19.041099
"736046"	633.8503995	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+H+NH4"	19.041099
"1489868"	217.6304995	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H+NH4"	19.041099
"403079"	855.429018	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+Na"	22.989218
"769299"	1271.648918	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+Na"	22.989218
"1616551"	439.209118	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Na"	22.989218
"328652"	428.218147	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+H+Na"	23.996494
"719010"	636.328097	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+H+Na"	23.996494
"1469551"	220.108197	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H+Na"	23.996494
"1057327"	147.074556666667	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2H+Na"	25.00377
"1261192"	449.253386	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+CH3OH+H"	33.033486
"386329"	871.402958	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+K"	38.963158
"744045"	1287.622858	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+K"	38.963158
"1546099"	455.183058	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+K"	38.963158
"306552"	436.205117	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+H+K"	39.970434
"697880"	644.315067	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+H+K"	39.970434
"1448424"	228.095167	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H+K"	39.970434
"236657"	874.473626	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+ACN+H"	42.033826
"1214109"	458.253726	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+ACN+H"	42.033826
"1198357"	229.630501	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+ACN+2H"	43.041102
"193051"	877.41096	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+2Na-H"	44.97116
"630787"	1293.63086	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+2Na-H"	44.97116
"1146469"	461.19106	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2Na-H"	44.97116
"187207"	439.209118	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+2Na"	45.978436
"627979"	647.319068	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+2Na"	45.978436
"1131196"	231.099168	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2Na"	45.978436
"1414083"	154.401870666667	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H+2Na"	46.985712
"1444319"	463.232646	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H+HCOOH"	47.012746
"234380"	444.24214	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+3H2O+2H"	56.04448
"1522805"	477.28469	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+IsoProp+H"	61.06479
"422856"	447.196088	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+Na+K"	61.952376
"785190"	655.306038	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+Na+K"	61.952376
"1679455"	239.086138	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Na+K"	61.952376
"266991"	896.455568	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+ACN+Na"	64.015768
"1238683"	480.235668	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+ACN+Na"	64.015768
"1727206"	480.259193	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+NH4+HCOOH"	64.039293
"1192197"	161.729184666667	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+3Na"	68.967654
"1658442"	485.214588	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Na+HCOOH"	68.994688
"170769"	909.35884	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+2K-H"	76.91904
"610694"	1325.57874	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+2K-H"	76.91904
"1090473"	493.13894	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2K-H"	76.91904
"148383"	455.183058	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"2M+2K"	77.926316
"585756"	663.293008	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"3M+2K"	77.926316
"1071360"	247.073108	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2K"	77.926316
"1103107"	495.153492	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2K+H"	78.933592
"1337181"	495.241107	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+DMSO+H"	79.021207
"1006807"	499.280276	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2ACN+H"	83.060376
"1526513"	500.273908	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+IsoProp+Na+H"	84.054008
"991866"	250.143776	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+2ACN+2H"	84.067652
"1589284"	501.188528	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+K+HCOOH"	84.968628
"1415673"	531.220038	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+H+CF3COOH"	115.000138
"1148149"	270.657051	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+3ACN+2H"	125.094202
"1699524"	548.246585	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+NH4+CF3COOH"	132.026685
"1635543"	553.20198	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+Na+CF3COOH"	136.98208
"1574111"	569.17592	"C20035"	"Arenobufagin"	"C24H32O6"	"416.2199"	"M+K+CF3COOH"	152.95602
"811038"	400.225	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M"	0
"983479"	381.20661	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-H2O-H"	-19.01839
"75004"	265.809390666667	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M-3H"	-3.021828
"513472"	399.217724	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M-3H"	-3.021828
"885806"	132.401057333333	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-3H"	-3.021828
"4744"	399.217724	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M-2H"	-2.014552
"441876"	599.330224	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M-2H"	-2.014552
"822838"	199.105224	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-2H"	-2.014552
"85017"	799.442724	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M-H"	-1.007276
"522392"	1199.667724	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M-H"	-1.007276
"896916"	399.217724	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-H"	-1.007276
"48248"	816.469271	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M-2H+NH4"	16.019271
"494133"	1216.694271	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M-2H+NH4"	16.019271
"868655"	416.244271	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-2H+NH4"	16.019271
"46040"	821.424666	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M-2H+Na"	20.974666
"485968"	1221.649666	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M-2H+Na"	20.974666
"862309"	421.199666	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-2H+Na"	20.974666
"1632572"	421.199666	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Na-2H"	20.974666
"108741"	417.206063	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M-H+Cl"	33.962126
"548422"	617.318563	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M-H+Cl"	33.962126
"941328"	217.093563	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-H+Cl"	33.962126
"282074"	835.419402	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+Cl"	34.969402
"671695"	1235.644402	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+Cl"	34.969402
"1283002"	435.194402	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Cl"	34.969402
"26289"	837.398606	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M-2H+K"	36.948606
"465486"	1237.623606	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M-2H+K"	36.948606
"836726"	437.173606	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-2H+K"	36.948606
"1562038"	437.173606	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+K-2H"	36.948606
"947734"	445.223194	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-H+HCOOH"	44.998194
"368138"	845.448201	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+HCOOH-H"	44.998201
"348743"	859.463851	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+Hac-H"	59.013851
"1500856"	459.238851	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Hac-H"	59.013851
"965115"	467.205151	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-H+NaCOOH"	66.980151
"115115"	435.194402	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+2Cl"	69.938804
"560147"	635.306902	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+2Cl"	69.938804
"1032229"	235.081902	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2Cl"	69.938804
"1250712"	479.143885	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Br"	78.918885
"1314255"	481.199872	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Cl+HCOOH"	80.974872
"1332847"	503.181829	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Cl+NaCOOH"	102.956829
"920626"	513.210586	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M-H+CF3COOH"	112.985586
"1302681"	549.187264	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Cl+CF3COOH"	148.962264
"1380599"	365.212324	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H-2H2O"	-35.012676
"1392992"	383.2223	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H-H2O"	-17.0027
"295959"	801.457276	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+H"	1.007276
"682916"	1201.682276	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+H"	1.007276
"1357076"	401.232276	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H"	1.007276
"135436"	401.232276	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+2H"	2.014552
"576088"	601.344776	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+2H"	2.014552
"1048169"	201.119776	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2H"	2.014552
"212790"	267.823942666667	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+3H"	3.021828
"653441"	401.232276	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+3H"	3.021828
"1162896"	134.415609333333	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+3H"	3.021828
"425363"	818.483823	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+NH4"	18.033823
"785657"	1218.708823	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+NH4"	18.033823
"1682327"	418.258823	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+NH4"	18.033823
"341546"	409.7455495	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+H+NH4"	19.041099
"736156"	609.8580495	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+H+NH4"	19.041099
"1488880"	209.6330495	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H+NH4"	19.041099
"403189"	823.439218	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+Na"	22.989218
"768195"	1223.664218	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+Na"	22.989218
"1615200"	423.214218	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Na"	22.989218
"326697"	412.223247	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+H+Na"	23.996494
"718028"	612.335747	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+H+Na"	23.996494
"1469662"	212.110747	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H+Na"	23.996494
"1060717"	141.742923333333	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2H+Na"	25.00377
"1264582"	433.258486	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+CH3OH+H"	33.033486
"385347"	839.413158	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+K"	38.963158
"744156"	1239.638158	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+K"	38.963158
"1547302"	439.188158	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+K"	38.963158
"306662"	420.210217	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+H+K"	39.970434
"695804"	620.322717	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+H+K"	39.970434
"1447442"	220.097717	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H+K"	39.970434
"236401"	842.483826	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+ACN+H"	42.033826
"1214219"	442.258826	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+ACN+H"	42.033826
"1198103"	221.633051	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+ACN+2H"	43.041102
"190974"	845.42116	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+2Na-H"	44.97116
"631991"	1245.64616	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+2Na-H"	44.97116
"1146961"	445.19616	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2Na-H"	44.97116
"187558"	423.214218	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+2Na"	45.978436
"628444"	623.326718	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+2Na"	45.978436
"1131271"	223.101718	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2Na"	45.978436
"1413977"	149.070237333333	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H+2Na"	46.985712
"1444064"	447.237746	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H+HCOOH"	47.012746
"235183"	428.24724	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+3H2O+2H"	56.04448
"1522185"	461.28979	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+IsoProp+H"	61.06479
"421872"	431.201188	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+Na+K"	61.952376
"783963"	631.313688	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+Na+K"	61.952376
"1678471"	231.088688	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Na+K"	61.952376
"266086"	864.465768	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+ACN+Na"	64.015768
"1238794"	464.240768	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+ACN+Na"	64.015768
"1727676"	464.264293	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+NH4+HCOOH"	64.039293
"1192303"	156.397551333333	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+3Na"	68.967654
"1662565"	469.219688	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Na+HCOOH"	68.994688
"168692"	877.36904	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+2K-H"	76.91904
"609344"	1277.59404	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+2K-H"	76.91904
"1090583"	477.14404	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2K-H"	76.91904
"148493"	439.188158	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"2M+2K"	77.926316
"586959"	639.300658	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"3M+2K"	77.926316
"1071470"	239.075658	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2K"	77.926316
"1100906"	479.158592	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2K+H"	78.933592
"1335958"	479.246207	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+DMSO+H"	79.021207
"1007646"	483.285376	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2ACN+H"	83.060376
"1525772"	484.279008	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+IsoProp+Na+H"	84.054008
"990640"	242.146326	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+2ACN+2H"	84.067652
"1588301"	485.193628	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+K+HCOOH"	84.968628
"1414932"	515.225138	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+H+CF3COOH"	115.000138
"1147896"	262.659601	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+3ACN+2H"	125.094202
"1698905"	532.251685	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+NH4+CF3COOH"	132.026685
"1634681"	537.20708	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+Na+CF3COOH"	136.98208
"1574221"	553.18102	"C20036"	"Marinobufagenin;Marinobufagin"	"C24H32O5"	"400.225"	"M+K+CF3COOH"	152.95602
"812243"	7978.5964	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M"	0
"986869"	7959.57801	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-H2O-H"	-19.01839
"76211"	5318.05699066667	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M-3H"	-3.021828
"513582"	7977.589124	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M-3H"	-3.021828
"889197"	2658.52485733333	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-3H"	-3.021828
"5584"	7977.589124	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M-2H"	-2.014552
"451708"	11966.887324	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M-2H"	-2.014552
"820763"	3988.290924	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-2H"	-2.014552
"86220"	15956.185524	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M-H"	-1.007276
"522504"	23934.781924	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M-H"	-1.007276
"896169"	7977.589124	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-H"	-1.007276
"57598"	15973.212071	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M-2H+NH4"	16.019271
"498257"	23951.808471	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M-2H+NH4"	16.019271
"879796"	7994.615671	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-2H+NH4"	16.019271
"46036"	15978.167466	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M-2H+Na"	20.974666
"486082"	23956.763866	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M-2H+Na"	20.974666
"863890"	7999.571066	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-2H+Na"	20.974666
"1633541"	7999.571066	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Na-2H"	20.974666
"109337"	7995.577463	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M-H+Cl"	33.962126
"549146"	11984.875663	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M-H+Cl"	33.962126
"942296"	4006.279263	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-H+Cl"	33.962126
"282309"	15992.162202	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+Cl"	34.969402
"672899"	23970.758602	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+Cl"	34.969402
"1285300"	8013.565802	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Cl"	34.969402
"27853"	15994.141406	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M-2H+K"	36.948606
"468144"	23972.737806	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M-2H+K"	36.948606
"844123"	8015.545006	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-2H+K"	36.948606
"1562148"	8015.545006	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+K-2H"	36.948606
"953311"	8023.594594	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-H+HCOOH"	44.998194
"369340"	16002.191001	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+HCOOH-H"	44.998201
"357966"	16016.206651	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+Hac-H"	59.013851
"1502059"	8037.610251	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Hac-H"	59.013851
"969237"	8045.576551	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-H+NaCOOH"	66.980151
"124588"	8013.565802	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+2Cl"	69.938804
"560987"	12002.864002	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+2Cl"	69.938804
"1030151"	4024.267602	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2Cl"	69.938804
"1250823"	8057.515285	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Br"	78.918885
"1318376"	8059.571272	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Cl+HCOOH"	80.974872
"1333687"	8081.553229	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Cl+NaCOOH"	102.956829
"927065"	8091.581986	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M-H+CF3COOH"	112.985586
"1299632"	8127.558664	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Cl+CF3COOH"	148.962264
"1379982"	7943.583724	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H-2H2O"	-35.012676
"1393102"	7961.5937	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H-H2O"	-17.0027
"297771"	15958.200076	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+H"	1.007276
"687400"	23936.796476	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+H"	1.007276
"1362655"	7979.603676	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H"	1.007276
"141247"	7979.603676	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+2H"	2.014552
"578384"	11968.901876	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+2H"	2.014552
"1052334"	3990.305476	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2H"	2.014552
"219342"	5320.07154266667	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+3H"	3.021828
"649181"	7979.603676	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+3H"	3.021828
"1164752"	2660.53940933333	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+3H"	3.021828
"426203"	15975.226623	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+NH4"	18.033823
"790484"	23953.823023	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+NH4"	18.033823
"1695445"	7996.630223	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+NH4"	18.033823
"343847"	7988.1169495	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+H+NH4"	19.041099
"737972"	11977.4151495	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+H+NH4"	19.041099
"1491187"	3998.8187495	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H+NH4"	19.041099
"404396"	15980.182018	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+Na"	22.989218
"765756"	23958.778418	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+Na"	22.989218
"1616898"	8001.585618	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Na"	22.989218
"327788"	7990.594647	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+H+Na"	23.996494
"719964"	11979.892847	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+H+Na"	23.996494
"1474149"	4001.296447	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H+Na"	23.996494
"1066663"	2667.86672333333	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2H+Na"	25.00377
"1267975"	8011.629886	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+CH3OH+H"	33.033486
"385457"	15996.155958	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+K"	38.963158
"746454"	23974.752358	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+K"	38.963158
"1548506"	8017.559558	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+K"	38.963158
"310057"	7998.581617	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+H+K"	39.970434
"699198"	11987.879817	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+H+K"	39.970434
"1448643"	4009.283417	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H+K"	39.970434
"237611"	15999.226626	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+ACN+H"	42.033826
"1216519"	8020.630226	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+ACN+H"	42.033826
"1204777"	4010.818751	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+ACN+2H"	43.041102
"200565"	16002.16396	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+2Na-H"	44.97116
"641584"	23980.76036	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+2Na-H"	44.97116
"1146070"	8023.56756	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2Na-H"	44.97116
"186197"	8001.585618	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+2Na"	45.978436
"626850"	11990.883818	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+2Na"	45.978436
"1130600"	4012.287418	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2Na"	45.978436
"1413404"	2675.19403733333	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H+2Na"	46.985712
"1443444"	8025.609146	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H+HCOOH"	47.012746
"233504"	8006.61864	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+3H2O+2H"	56.04448
"1522299"	8039.66119	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+IsoProp+H"	61.06479
"419069"	8009.572588	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+Na+K"	61.952376
"777876"	11998.870788	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+Na+K"	61.952376
"1676760"	4020.274388	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Na+K"	61.952376
"263643"	16021.208568	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+ACN+Na"	64.015768
"1237082"	8042.612168	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+ACN+Na"	64.015768
"1721961"	8042.635693	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+NH4+HCOOH"	64.039293
"1187677"	2682.52135133333	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+3Na"	68.967654
"1656475"	8047.591088	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Na+HCOOH"	68.994688
"166618"	16034.11184	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+2K-H"	76.91904
"605450"	24012.70824	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+2K-H"	76.91904
"1089600"	8055.51544	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2K-H"	76.91904
"142163"	8017.559558	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"2M+2K"	77.926316
"585976"	12006.857758	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"3M+2K"	77.926316
"1074861"	4028.261358	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2K"	77.926316
"1104791"	8057.529992	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2K+H"	78.933592
"1341175"	8057.617607	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+DMSO+H"	79.021207
"1014080"	8061.656776	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2ACN+H"	83.060376
"1533296"	8062.650408	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+IsoProp+Na+H"	84.054008
"996464"	4031.332026	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+2ACN+2H"	84.067652
"1588779"	8063.565028	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+K+HCOOH"	84.968628
"1414556"	8093.596538	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+H+CF3COOH"	115.000138
"1148370"	4051.845301	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+3ACN+2H"	125.094202
"1697924"	8110.623085	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+NH4+CF3COOH"	132.026685
"1634299"	8115.57848	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+Na+CF3COOH"	136.98208
"1574331"	8131.55242	"C20037"	"alpha-Bungarotoxin;alpha-BTX"	"C338H529N97O105S11"	"7978.5964"	"M+K+CF3COOH"	152.95602
"802878"	7039.2797	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M"	0
"977503"	7020.26131	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-H2O-H"	-19.01839
"68662"	4691.84585733333	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M-3H"	-3.021828
"508224"	7038.272424	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M-3H"	-3.021828
"888213"	2345.41929066667	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-3H"	-3.021828
"3508"	7038.272424	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M-2H"	-2.014552
"448537"	10557.912274	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M-2H"	-2.014552
"825247"	3518.632574	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-2H"	-2.014552
"87426"	14077.552124	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M-H"	-1.007276
"519086"	21116.831824	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M-H"	-1.007276
"896643"	7038.272424	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-H"	-1.007276
"49324"	14094.578671	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M-2H+NH4"	16.019271
"501905"	21133.858371	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M-2H+NH4"	16.019271
"878492"	7055.298971	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-2H+NH4"	16.019271
"45774"	14099.534066	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M-2H+Na"	20.974666
"486316"	21138.813766	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M-2H+Na"	20.974666
"862779"	7060.254366	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-2H+Na"	20.974666
"1633281"	7060.254366	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Na-2H"	20.974666
"108846"	7056.260763	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M-H+Cl"	33.962126
"548402"	10575.900613	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M-H+Cl"	33.962126
"940946"	3536.620913	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-H+Cl"	33.962126
"281207"	14113.528802	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+Cl"	34.969402
"673382"	21152.808502	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+Cl"	34.969402
"1287238"	7074.249102	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Cl"	34.969402
"30281"	14115.508006	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M-2H+K"	36.948606
"468988"	21154.787706	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M-2H+K"	36.948606
"842051"	7076.228306	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-2H+K"	36.948606
"1563348"	7076.228306	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+K-2H"	36.948606
"946130"	7084.277894	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-H+HCOOH"	44.998194
"363256"	14123.557601	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+HCOOH-H"	44.998201
"356255"	14137.573251	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+Hac-H"	59.013851
"1504359"	7098.293551	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Hac-H"	59.013851
"968619"	7106.259851	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-H+NaCOOH"	66.980151
"120808"	7074.249102	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+2Cl"	69.938804
"563650"	10593.888952	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+2Cl"	69.938804
"1035001"	3554.609252	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2Cl"	69.938804
"1253850"	7118.198585	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Br"	78.918885
"1316663"	7120.254572	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Cl+HCOOH"	80.974872
"1333065"	7142.236529	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Cl+NaCOOH"	102.956829
"926640"	7152.265286	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M-H+CF3COOH"	112.985586
"1297553"	7188.241964	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Cl+CF3COOH"	148.962264
"1376810"	7004.267024	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H-2H2O"	-35.012676
"1392121"	7022.277	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H-H2O"	-17.0027
"292901"	14079.566676	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+H"	1.007276
"687510"	21118.846376	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+H"	1.007276
"1364952"	7040.286976	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H"	1.007276
"140028"	7040.286976	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+2H"	2.014552
"574124"	10559.926826	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+2H"	2.014552
"1046203"	3520.647126	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2H"	2.014552
"207908"	4693.86040933333	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+3H"	3.021828
"645521"	7040.286976	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+3H"	3.021828
"1164012"	2347.43384266667	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+3H"	3.021828
"435068"	14096.593223	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+NH4"	18.033823
"793876"	21135.872923	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+NH4"	18.033823
"1693491"	7057.313523	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+NH4"	18.033823
"343967"	7048.8002495	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+H+NH4"	19.041099
"738203"	10568.4400995	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+H+NH4"	19.041099
"1492021"	3529.1603995	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H+NH4"	19.041099
"406693"	14101.548618	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+Na"	22.989218
"764408"	21140.828318	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+Na"	22.989218
"1616158"	7062.268918	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Na"	22.989218
"327652"	7051.277947	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+H+Na"	23.996494
"719712"	10570.917797	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+H+Na"	23.996494
"1474258"	3531.638097	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H+Na"	23.996494
"1065313"	2354.76115666667	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2H+Na"	25.00377
"1269547"	7072.313186	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+CH3OH+H"	33.033486
"388850"	14117.522558	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+K"	38.963158
"750936"	21156.802258	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+K"	38.963158
"1546429"	7078.242858	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+K"	38.963158
"299107"	7059.264917	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+H+K"	39.970434
"696026"	10578.904767	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+H+K"	39.970434
"1453129"	3539.625067	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H+K"	39.970434
"240637"	14120.593226	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+ACN+H"	42.033826
"1216629"	7081.313526	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+ACN+H"	42.033826
"1203794"	3541.160401	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+ACN+2H"	43.041102
"203356"	14123.53056	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+2Na-H"	44.97116
"643520"	21162.81026	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+2Na-H"	44.97116
"1146632"	7084.25086	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2Na-H"	44.97116
"188062"	7062.268918	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+2Na"	45.978436
"627823"	10581.908768	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+2Na"	45.978436
"1129387"	3542.629068	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2Na"	45.978436
"1412902"	2362.08847066667	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H+2Na"	46.985712
"1443561"	7086.292446	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H+HCOOH"	47.012746
"234349"	7067.30194	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+3H2O+2H"	56.04448
"1523502"	7100.34449	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+IsoProp+H"	61.06479
"423557"	7070.255888	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+Na+K"	61.952376
"781268"	10589.895738	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+Na+K"	61.952376
"1677601"	3550.616038	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Na+K"	61.952376
"263393"	14142.575168	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+ACN+Na"	64.015768
"1237561"	7103.295468	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+ACN+Na"	64.015768
"1725718"	7103.318993	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+NH4+HCOOH"	64.039293
"1188154"	2369.41578466667	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+3Na"	68.967654
"1659865"	7108.274388	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Na+HCOOH"	68.994688
"166727"	14155.47844	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+2K-H"	76.91904
"599729"	21194.75814	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+2K-H"	76.91904
"1090804"	7116.19874	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2K-H"	76.91904
"149806"	7078.242858	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"2M+2K"	77.926316
"590459"	10597.882708	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"3M+2K"	77.926316
"1077888"	3558.603008	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2K"	77.926316
"1110370"	7118.213292	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2K+H"	78.933592
"1343474"	7118.300907	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+DMSO+H"	79.021207
"1014189"	7122.340076	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2ACN+H"	83.060376
"1533409"	7123.333708	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+IsoProp+Na+H"	84.054008
"997668"	3561.673676	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+2ACN+2H"	84.067652
"1592172"	7124.248328	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+K+HCOOH"	84.968628
"1420018"	7154.279838	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+H+CF3COOH"	115.000138
"1150305"	3582.186951	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+3ACN+2H"	125.094202
"1698397"	7171.306385	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+NH4+CF3COOH"	132.026685
"1637698"	7176.26178	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+Na+CF3COOH"	136.98208
"1575538"	7192.23572	"C20041"	"Calciseptine"	"C299H476N90O87S10"	"7039.2797"	"M+K+CF3COOH"	152.95602
"802987"	6734.3671	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M"	0
"975790"	6715.34871	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-H2O-H"	-19.01839
"66949"	4488.57079066667	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M-3H"	-3.021828
"507240"	6733.359824	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M-3H"	-3.021828
"883949"	2243.78175733333	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-3H"	-3.021828
"3618"	6733.359824	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M-2H"	-2.014552
"448648"	10100.543374	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M-2H"	-2.014552
"822077"	3366.176274	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-2H"	-2.014552
"86442"	13467.726924	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M-H"	-1.007276
"518609"	20202.094024	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M-H"	-1.007276
"895667"	6733.359824	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-H"	-1.007276
"55995"	13484.753471	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M-2H+NH4"	16.019271
"487488"	20219.120571	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M-2H+NH4"	16.019271
"879573"	6750.386371	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-2H+NH4"	16.019271
"47135"	13489.708866	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M-2H+Na"	20.974666
"487016"	20224.075966	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M-2H+Na"	20.974666
"863740"	6755.341766	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-2H+Na"	20.974666
"1633881"	6755.341766	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Na-2H"	20.974666
"109278"	6751.348163	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M-H+Cl"	33.962126
"547904"	10118.531713	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M-H+Cl"	33.962126
"941783"	3384.164613	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-H+Cl"	33.962126
"279972"	13503.703602	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+Cl"	34.969402
"671664"	20238.070702	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+Cl"	34.969402
"1285889"	6769.336502	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Cl"	34.969402
"21518"	13505.682806	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M-2H+K"	36.948606
"464358"	20240.049906	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M-2H+K"	36.948606
"838880"	6771.315706	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-2H+K"	36.948606
"1561633"	6771.315706	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+K-2H"	36.948606
"948067"	6779.365294	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-H+HCOOH"	44.998194
"366281"	13513.732401	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+HCOOH-H"	44.998201
"350162"	13527.748051	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+Hac-H"	59.013851
"1501915"	6793.380951	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Hac-H"	59.013851
"962167"	6801.347251	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-H+NaCOOH"	66.980151
"114354"	6769.336502	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+2Cl"	69.938804
"551729"	10136.520052	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+2Cl"	69.938804
"1028182"	3402.152952	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2Cl"	69.938804
"1253230"	6813.285985	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Br"	78.918885
"1315315"	6815.341972	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Cl+HCOOH"	80.974872
"1331719"	6837.323929	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Cl+NaCOOH"	102.956829
"925937"	6847.352686	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M-H+CF3COOH"	112.985586
"1300944"	6883.329364	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Cl+CF3COOH"	148.962264
"1370359"	6699.354424	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H-2H2O"	-35.012676
"1392231"	6717.3644	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H-H2O"	-17.0027
"291918"	13469.741476	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+H"	1.007276
"687620"	20204.108576	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+H"	1.007276
"1365063"	6735.374376	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H"	1.007276
"136858"	6735.374376	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+2H"	2.014552
"570588"	10102.557926	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+2H"	2.014552
"1045219"	3368.190826	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2H"	2.014552
"207287"	4490.58534266667	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+3H"	3.021828
"649403"	6735.374376	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+3H"	3.021828
"1168257"	2245.79630933333	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+3H"	3.021828
"427520"	13486.768023	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+NH4"	18.033823
"787787"	20221.135123	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+NH4"	18.033823
"1693602"	6752.400923	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+NH4"	18.033823
"339693"	6743.8876495	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+H+NH4"	19.041099
"737218"	10111.0711995	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+H+NH4"	19.041099
"1492666"	3376.7040995	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H+NH4"	19.041099
"408512"	13491.723418	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+Na"	22.989218
"768528"	20226.090518	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+Na"	22.989218
"1618048"	6757.356318	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Na"	22.989218
"329218"	6746.365347	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+H+Na"	23.996494
"718356"	10113.548897	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+H+Na"	23.996494
"1475825"	3379.181797	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H+Na"	23.996494
"1067977"	2253.12362333333	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2H+Na"	25.00377
"1270750"	6767.400586	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+CH3OH+H"	33.033486
"391146"	13507.697358	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+K"	38.963158
"747764"	20242.064458	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+K"	38.963158
"1552008"	6773.330258	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+K"	38.963158
"300435"	6754.352317	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+H+K"	39.970434
"693950"	10121.535867	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+H+K"	39.970434
"1451052"	3387.168767	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H+K"	39.970434
"239653"	13510.768026	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+ACN+H"	42.033826
"1220022"	6776.400926	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+ACN+H"	42.033826
"1203906"	3388.704101	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+ACN+2H"	43.041102
"203587"	13513.70536	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+2Na-H"	44.97116
"643401"	20248.07246	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+2Na-H"	44.97116
"1146249"	6779.33826	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2Na-H"	44.97116
"188007"	6757.356318	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+2Na"	45.978436
"627446"	10124.539868	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+2Na"	45.978436
"1129493"	3390.172768	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2Na"	45.978436
"1413385"	2260.45093733333	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H+2Na"	46.985712
"1441849"	6781.379846	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H+HCOOH"	47.012746
"232638"	6762.38934	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+3H2O+2H"	56.04448
"1521063"	6795.43189	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+IsoProp+H"	61.06479
"421115"	6765.343288	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+Na+K"	61.952376
"780285"	10132.526838	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+Na+K"	61.952376
"1680631"	3398.159738	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Na+K"	61.952376
"265326"	13532.749968	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+ACN+Na"	64.015768
"1237668"	6798.382868	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+ACN+Na"	64.015768
"1725828"	6798.406393	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+NH4+HCOOH"	64.039293
"1190452"	2267.77825133333	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+3Na"	68.967654
"1662530"	6803.361788	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Na+HCOOH"	68.994688
"166837"	13545.65324	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+2K-H"	76.91904
"607858"	20280.02034	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+2K-H"	76.91904
"1097109"	6811.28614	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2K-H"	76.91904
"153199"	6773.330258	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"2M+2K"	77.926316
"594580"	10140.513808	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"3M+2K"	77.926316
"1077997"	3406.146708	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2K"	77.926316
"1112304"	6813.300692	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2K+H"	78.933592
"1349416"	6813.388307	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+DMSO+H"	79.021207
"1014299"	6817.427476	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2ACN+H"	83.060376
"1533518"	6818.421108	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+IsoProp+Na+H"	84.054008
"997778"	3409.217376	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+2ACN+2H"	84.067652
"1593375"	6819.335728	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+K+HCOOH"	84.968628
"1421221"	6849.367238	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+H+CF3COOH"	115.000138
"1150779"	3429.730651	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+3ACN+2H"	125.094202
"1699601"	6866.393785	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+NH4+CF3COOH"	132.026685
"1637808"	6871.34918	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+Na+CF3COOH"	136.98208
"1575648"	6887.32312	"C20042"	"Cardiotoxin III;CTX 3;Cytotoxin D1 (Naja naja atra)"	"C299H485N79O77S10"	"6734.3671"	"M+K+CF3COOH"	152.95602
"809297"	258.162	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M"	0
"977361"	239.14361	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-H2O-H"	-19.01839
"65603"	171.100724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M-3H"	-3.021828
"507352"	257.154724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M-3H"	-3.021828
"884063"	85.046724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-3H"	-3.021828
"4825"	257.154724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M-2H"	-2.014552
"445477"	386.235724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M-2H"	-2.014552
"823279"	128.073724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-2H"	-2.014552
"81084"	515.316724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M-H"	-1.007276
"519304"	773.478724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M-H"	-1.007276
"895694"	257.154724	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-H"	-1.007276
"52825"	532.343271	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M-2H+NH4"	16.019271
"487555"	790.505271	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M-2H+NH4"	16.019271
"879558"	274.181271	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-2H+NH4"	16.019271
"46856"	537.298666	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M-2H+Na"	20.974666
"486775"	795.460666	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M-2H+Na"	20.974666
"863850"	279.136666	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-2H+Na"	20.974666
"1633547"	279.136666	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Na-2H"	20.974666
"106993"	275.143063	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M-H+Cl"	33.962126
"548375"	404.224063	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M-H+Cl"	33.962126
"940796"	146.062063	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-H+Cl"	33.962126
"277530"	551.293402	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+Cl"	34.969402
"669950"	809.455402	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+Cl"	34.969402
"1283446"	293.131402	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Cl"	34.969402
"23814"	553.272606	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M-2H+K"	36.948606
"460093"	811.434606	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M-2H+K"	36.948606
"835714"	295.110606	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-2H+K"	36.948606
"1558106"	295.110606	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+K-2H"	36.948606
"952553"	303.160194	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-H+HCOOH"	44.998194
"367488"	561.322201	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+HCOOH-H"	44.998201
"348091"	575.337851	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+Hac-H"	59.013851
"1499109"	317.175851	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Hac-H"	59.013851
"960085"	325.142151	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-H+NaCOOH"	66.980151
"117749"	293.131402	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+2Cl"	69.938804
"564721"	422.212402	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+2Cl"	69.938804
"1032672"	164.050402	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2Cl"	69.938804
"1254072"	337.080885	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Br"	78.918885
"1317980"	339.136872	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Cl+HCOOH"	80.974872
"1321625"	361.118829	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Cl+NaCOOH"	102.956829
"916692"	371.147586	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M-H+CF3COOH"	112.985586
"1292306"	407.124264	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Cl+CF3COOH"	148.962264
"1369374"	223.149324	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H-2H2O"	-35.012676
"1397085"	241.1593	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H-H2O"	-17.0027
"295679"	517.331276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+H"	1.007276
"687731"	775.493276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+H"	1.007276
"1365175"	259.169276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H"	1.007276
"135879"	259.169276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+2H"	2.014552
"569970"	388.250276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+2H"	2.014552
"1040955"	130.088276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2H"	2.014552
"207034"	173.115276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+3H"	3.021828
"650242"	259.169276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+3H"	3.021828
"1173113"	87.061276	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+3H"	3.021828
"436383"	534.357823	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+NH4"	18.033823
"796287"	792.519823	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+NH4"	18.033823
"1696880"	276.195823	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+NH4"	18.033823
"345562"	267.6825495	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+H+NH4"	19.041099
"734412"	396.7635495	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+H+NH4"	19.041099
"1492613"	138.6015495	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H+NH4"	19.041099
"408214"	539.313218	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+Na"	22.989218
"769890"	797.475218	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+Na"	22.989218
"1617832"	281.151218	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Na"	22.989218
"328964"	270.160247	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+H+Na"	23.996494
"721636"	399.241247	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+H+Na"	23.996494
"1475206"	141.079247	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H+Na"	23.996494
"1066628"	94.38859	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2H+Na"	25.00377
"1270130"	291.195486	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+CH3OH+H"	33.033486
"391621"	555.287158	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+K"	38.963158
"752249"	813.449158	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+K"	38.963158
"1546652"	297.125158	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+K"	38.963158
"302733"	278.147217	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+H+K"	39.970434
"702813"	407.228217	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+H+K"	39.970434
"1453353"	149.066217	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H+K"	39.970434
"243049"	558.357826	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+ACN+H"	42.033826
"1225241"	300.195826	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+ACN+H"	42.033826
"1209857"	150.601551	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+ACN+2H"	43.041102
"204186"	561.29516	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+2Na-H"	44.97116
"643877"	819.45716	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+2Na-H"	44.97116
"1145802"	303.13316	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2Na-H"	44.97116
"187872"	281.151218	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+2Na"	45.978436
"626825"	410.232218	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+2Na"	45.978436
"1130332"	152.070218	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2Na"	45.978436
"1412032"	101.715904	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H+2Na"	46.985712
"1442320"	305.174746	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H+HCOOH"	47.012746
"230557"	286.18424	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+3H2O+2H"	56.04448
"1518619"	319.22679	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+IsoProp+H"	61.06479
"420130"	289.138188	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+Na+K"	61.952376
"777114"	418.219188	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+Na+K"	61.952376
"1676725"	160.057188	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Na+K"	61.952376
"264705"	580.339768	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+ACN+Na"	64.015768
"1235955"	322.177768	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+ACN+Na"	64.015768
"1725936"	322.201293	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+NH4+HCOOH"	64.039293
"1189468"	109.043218	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+3Na"	68.967654
"1658995"	327.156688	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Na+HCOOH"	68.994688
"166585"	593.24304	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+2K-H"	76.91904
"605421"	851.40504	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+2K-H"	76.91904
"1095400"	335.08104	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2K-H"	76.91904
"153311"	297.125158	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"2M+2K"	77.926316
"595789"	426.206158	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"3M+2K"	77.926316
"1083218"	168.044158	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2K"	77.926316
"1113145"	337.095592	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2K+H"	78.933592
"1343694"	337.183207	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+DMSO+H"	79.021207
"1017327"	341.222376	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2ACN+H"	83.060376
"1539464"	342.216008	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+IsoProp+Na+H"	84.054008
"1000078"	171.114826	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+2ACN+2H"	84.067652
"1597861"	343.130628	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+K+HCOOH"	84.968628
"1422427"	373.162138	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+H+CF3COOH"	115.000138
"1157088"	191.628101	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+3ACN+2H"	125.094202
"1700078"	390.188685	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+NH4+CF3COOH"	132.026685
"1637918"	395.14408	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+Na+CF3COOH"	136.98208
"1582320"	411.11802	"C20044"	"Enanthotoxin;Oenanthotoxin"	"C17H22O2"	"258.162"	"M+K+CF3COOH"	152.95602
"801701"	511.2319	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M"	0
"974793"	492.21351	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-H2O-H"	-19.01839
"65713"	339.813990666667	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M-3H"	-3.021828
"506367"	510.224624	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M-3H"	-3.021828
"887453"	169.403357333333	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-3H"	-3.021828
"4935"	510.224624	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M-2H"	-2.014552
"448867"	765.840574	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M-2H"	-2.014552
"820473"	254.608674	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-2H"	-2.014552
"82652"	1021.456524	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M-H"	-1.007276
"518722"	1532.688424	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M-H"	-1.007276
"895751"	510.224624	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-H"	-1.007276
"52935"	1038.483071	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M-2H+NH4"	16.019271
"487546"	1549.714971	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M-2H+NH4"	16.019271
"874676"	527.251171	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-2H+NH4"	16.019271
"47057"	1043.438466	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M-2H+Na"	20.974666
"486402"	1554.670366	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M-2H+Na"	20.974666
"863718"	532.206566	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-2H+Na"	20.974666
"1633245"	532.206566	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Na-2H"	20.974666
"107834"	528.212963	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M-H+Cl"	33.962126
"548851"	783.828913	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M-H+Cl"	33.962126
"939813"	272.597013	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-H+Cl"	33.962126
"277640"	1057.433202	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+Cl"	34.969402
"668967"	1568.665102	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+Cl"	34.969402
"1282463"	546.201302	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Cl"	34.969402
"25017"	1059.412406	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M-2H+K"	36.948606
"465670"	1570.644306	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M-2H+K"	36.948606
"839104"	548.180506	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-2H+K"	36.948606
"1562591"	548.180506	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+K-2H"	36.948606
"950476"	556.230094	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-H+HCOOH"	44.998194
"369785"	1067.462001	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+HCOOH-H"	44.998201
"348201"	1081.477651	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+Hac-H"	59.013851
"1499219"	570.245751	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Hac-H"	59.013851
"960924"	578.212051	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-H+NaCOOH"	66.980151
"121139"	546.201302	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+2Cl"	69.938804
"564589"	801.817252	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+2Cl"	69.938804
"1035698"	290.585352	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2Cl"	69.938804
"1256248"	590.150785	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Br"	78.918885
"1318090"	592.206772	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Cl+HCOOH"	80.974872
"1324651"	614.188729	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Cl+NaCOOH"	102.956829
"924456"	624.217486	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M-H+CF3COOH"	112.985586
"1294603"	660.194164	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Cl+CF3COOH"	148.962264
"1368756"	476.219224	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H-2H2O"	-35.012676
"1396828"	494.2292	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H-H2O"	-17.0027
"297366"	1023.471076	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+H"	1.007276
"681280"	1534.702976	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+H"	1.007276
"1352524"	512.239176	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H"	1.007276
"135984"	512.239176	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+2H"	2.014552
"573360"	767.855126	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+2H"	2.014552
"1041065"	256.623226	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2H"	2.014552
"208239"	341.828542666667	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+3H"	3.021828
"652904"	512.239176	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+3H"	3.021828
"1173222"	171.417909333333	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+3H"	3.021828
"436493"	1040.497623	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+NH4"	18.033823
"797856"	1551.729523	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+NH4"	18.033823
"1694553"	529.265723	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+NH4"	18.033823
"345146"	520.7524495	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+H+NH4"	19.041099
"735981"	776.3683995	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+H+NH4"	19.041099
"1491990"	265.1364995	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H+NH4"	19.041099
"407027"	1045.453018	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+Na"	22.989218
"766927"	1556.684918	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+Na"	22.989218
"1617700"	534.221118	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Na"	22.989218
"325792"	523.230147	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+H+Na"	23.996494
"721497"	778.846097	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+H+Na"	23.996494
"1475316"	267.614197	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H+Na"	23.996494
"1065646"	178.745223333333	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2H+Na"	25.00377
"1269143"	544.265386	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+CH3OH+H"	33.033486
"389175"	1061.426958	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+K"	38.963158
"749077"	1572.658858	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+K"	38.963158
"1552229"	550.195058	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+K"	38.963158
"301750"	531.217117	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+H+K"	39.970434
"696361"	786.833067	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+H+K"	39.970434
"1450180"	275.601167	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H+K"	39.970434
"240969"	1064.497626	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+ACN+H"	42.033826
"1221336"	553.265726	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+ACN+H"	42.033826
"1209772"	277.136501	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+ACN+2H"	43.041102
"204057"	1067.43496	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+2Na-H"	44.97116
"642396"	1578.66686	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+2Na-H"	44.97116
"1145171"	556.20306	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2Na-H"	44.97116
"186764"	534.221118	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+2Na"	45.978436
"627660"	789.837068	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+2Na"	45.978436
"1128979"	278.605168	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2Na"	45.978436
"1411043"	186.072537333333	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H+2Na"	46.985712
"1442794"	558.244646	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H+HCOOH"	47.012746
"232854"	539.25414	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+3H2O+2H"	56.04448
"1523105"	572.29669	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+IsoProp+H"	61.06479
"418415"	542.208088	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+Na+K"	61.952376
"783786"	797.824038	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+Na+K"	61.952376
"1675741"	286.592138	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Na+K"	61.952376
"264449"	1086.479568	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+ACN+Na"	64.015768
"1236430"	575.247668	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+ACN+Na"	64.015768
"1724224"	575.271193	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+NH4+HCOOH"	64.039293
"1190672"	193.399851333333	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+3Na"	68.967654
"1658741"	580.226588	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Na+HCOOH"	68.994688
"166331"	1099.38284	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+2K-H"	76.91904
"607715"	1610.61474	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+2K-H"	76.91904
"1094414"	588.15094	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2K-H"	76.91904
"150137"	550.195058	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"2M+2K"	77.926316
"593343"	805.811008	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"3M+2K"	77.926316
"1081503"	294.579108	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2K"	77.926316
"1113619"	590.165492	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2K+H"	78.933592
"1348544"	590.253107	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+DMSO+H"	79.021207
"1011240"	594.292276	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2ACN+H"	83.060376
"1533741"	595.285908	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+IsoProp+Na+H"	84.054008
"1000188"	297.649776	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+2ACN+2H"	84.067652
"1594691"	596.200528	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+K+HCOOH"	84.968628
"1422537"	626.232038	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+H+CF3COOH"	115.000138
"1156106"	318.163051	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+3ACN+2H"	125.094202
"1701283"	643.258585	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+NH4+CF3COOH"	132.026685
"1634380"	648.21398	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+Na+CF3COOH"	136.98208
"1582430"	664.18792	"C20045"	"Verruculogen;TR 1;TR 1 toxin"	"C27H33N3O7"	"511.2319"	"M+K+CF3COOH"	152.95602
"802102"	412.1158	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M"	0
"978673"	393.09741	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-H2O-H"	-19.01839
"63877"	273.736590666667	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M-3H"	-3.021828
"507571"	411.108524	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M-3H"	-3.021828
"884283"	136.364657333333	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-3H"	-3.021828
"5045"	411.108524	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M-2H"	-2.014552
"446791"	617.166424	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M-2H"	-2.014552
"820584"	205.050624	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-2H"	-2.014552
"83493"	823.224324	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M-H"	-1.007276
"519886"	1235.340124	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M-H"	-1.007276
"895673"	411.108524	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-H"	-1.007276
"50858"	840.250871	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M-2H+NH4"	16.019271
"488227"	1252.366671	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M-2H+NH4"	16.019271
"876972"	428.135071	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-2H+NH4"	16.019271
"46876"	845.206266	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M-2H+Na"	20.974666
"486795"	1257.322066	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M-2H+Na"	20.974666
"863088"	433.090466	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-2H+Na"	20.974666
"1628489"	433.090466	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Na-2H"	20.974666
"108311"	429.096863	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M-H+Cl"	33.962126
"548111"	635.154763	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M-H+Cl"	33.962126
"941261"	223.038963	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-H+Cl"	33.962126
"277750"	859.201002	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+Cl"	34.969402
"666890"	1271.316802	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+Cl"	34.969402
"1283665"	447.085202	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Cl"	34.969402
"22941"	861.180206	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M-2H+K"	36.948606
"467967"	1273.296006	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M-2H+K"	36.948606
"839214"	449.064406	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-2H+K"	36.948606
"1562701"	449.064406	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+K-2H"	36.948606
"950586"	457.113994	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-H+HCOOH"	44.998194
"369895"	869.229801	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+HCOOH-H"	44.998201
"349404"	883.245451	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+Hac-H"	59.013851
"1500422"	471.129651	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Hac-H"	59.013851
"961763"	479.095951	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-H+NaCOOH"	66.980151
"122343"	447.085202	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+2Cl"	69.938804
"565184"	653.143102	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+2Cl"	69.938804
"1032892"	241.027302	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2Cl"	69.938804
"1255750"	491.034685	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Br"	78.918885
"1308359"	493.090672	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Cl+HCOOH"	80.974872
"1330227"	515.072629	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Cl+NaCOOH"	102.956829
"920192"	525.101386	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M-H+CF3COOH"	112.985586
"1294712"	561.078064	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Cl+CF3COOH"	148.962264
"1370688"	377.103124	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H-2H2O"	-35.012676
"1395844"	395.1131	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H-H2O"	-17.0027
"294438"	825.238876	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+H"	1.007276
"681390"	1237.354676	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+H"	1.007276
"1354090"	413.123076	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H"	1.007276
"135001"	413.123076	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+2H"	2.014552
"576750"	619.180976	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+2H"	2.014552
"1043363"	207.065176	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2H"	2.014552
"208347"	275.751142666667	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+3H"	3.021828
"651556"	413.123076	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+3H"	3.021828
"1175518"	138.379209333333	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+3H"	3.021828
"437696"	842.265423	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+NH4"	18.033823
"800032"	1254.381223	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+NH4"	18.033823
"1695391"	430.149623	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+NH4"	18.033823
"344283"	421.6363495	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+H+NH4"	19.041099
"736091"	627.6942495	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+H+NH4"	19.041099
"1491007"	215.5784495	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H+NH4"	19.041099
"405681"	847.220818	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+Na"	22.989218
"767036"	1259.336618	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+Na"	22.989218
"1615746"	435.105018	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Na"	22.989218
"326995"	424.114047	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+H+Na"	23.996494
"720879"	630.171947	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+H+Na"	23.996494
"1474941"	218.056147	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H+Na"	23.996494
"1065392"	145.706523333333	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2H+Na"	25.00377
"1270710"	445.149286	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+CH3OH+H"	33.033486
"390018"	863.194758	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+K"	38.963158
"750645"	1275.310558	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+K"	38.963158
"1553069"	451.078958	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+K"	38.963158
"302954"	432.101017	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+H+K"	39.970434
"694284"	638.158917	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+H+K"	39.970434
"1450292"	226.043117	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H+K"	39.970434
"244361"	866.265426	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+ACN+H"	42.033826
"1224123"	454.149626	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+ACN+H"	42.033826
"1208128"	227.578451	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+ACN+2H"	43.041102
"203434"	869.20276	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+2Na-H"	44.97116
"642628"	1281.31856	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+2Na-H"	44.97116
"1145525"	457.08696	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2Na-H"	44.97116
"187238"	435.105018	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+2Na"	45.978436
"626309"	641.162918	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+2Na"	45.978436
"1128602"	229.047118	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2Na"	45.978436
"1412368"	153.033837333333	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H+2Na"	46.985712
"1443511"	459.128546	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H+HCOOH"	47.012746
"234664"	440.13804	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+3H2O+2H"	56.04448
"1522365"	473.18059	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+IsoProp+H"	61.06479
"418524"	443.091988	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+Na+K"	61.952376
"783529"	649.149888	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+Na+K"	61.952376
"1678404"	237.034088	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Na+K"	61.952376
"264559"	888.247368	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+ACN+Na"	64.015768
"1237267"	476.131568	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+ACN+Na"	64.015768
"1724333"	476.155093	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+NH4+HCOOH"	64.039293
"1189321"	160.361151333333	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+3Na"	68.967654
"1661035"	481.110488	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Na+HCOOH"	68.994688
"167898"	901.15064	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+2K-H"	76.91904
"606730"	1313.26644	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+2K-H"	76.91904
"1094523"	489.03484	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2K-H"	76.91904
"152433"	451.078958	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"2M+2K"	77.926316
"587619"	657.136858	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"3M+2K"	77.926316
"1083194"	245.021058	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2K"	77.926316
"1113607"	491.049392	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2K+H"	78.933592
"1343914"	491.137007	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+DMSO+H"	79.021207
"1014631"	495.176176	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2ACN+H"	83.060376
"1530569"	496.169808	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+IsoProp+Na+H"	84.054008
"997017"	248.091726	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+2ACN+2H"	84.067652
"1594801"	497.084428	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+K+HCOOH"	84.968628
"1422647"	527.115938	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+H+CF3COOH"	115.000138
"1156216"	268.605001	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+3ACN+2H"	125.094202
"1700300"	544.142485	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+NH4+CF3COOH"	132.026685
"1635948"	549.09788	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+Na+CF3COOH"	136.98208
"1575979"	565.07182	"C20046"	"Mollicellin C"	"C22H20O8"	"412.1158"	"M+K+CF3COOH"	152.95602
"809626"	2025.8866	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M"	0
"975503"	2006.86821	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-H2O-H"	-19.01839
"63746"	1349.58379066667	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M-3H"	-3.021828
"506591"	2024.879324	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M-3H"	-3.021828
"881477"	674.288257333333	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-3H"	-3.021828
"5155"	2024.879324	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M-2H"	-2.014552
"442528"	3037.822624	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M-2H"	-2.014552
"820694"	1011.936024	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-2H"	-2.014552
"82873"	4050.765924	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M-H"	-1.007276
"524259"	6076.652524	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M-H"	-1.007276
"900967"	2024.879324	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-H"	-1.007276
"53155"	4067.792471	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M-2H+NH4"	16.019271
"502449"	6093.679071	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M-2H+NH4"	16.019271
"879043"	2041.905871	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-2H+NH4"	16.019271
"46179"	4072.747866	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M-2H+Na"	20.974666
"486376"	6098.634466	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M-2H+Na"	20.974666
"863077"	2046.861266	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-2H+Na"	20.974666
"1632618"	2046.861266	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Na-2H"	20.974666
"108052"	2042.867663	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M-H+Cl"	33.962126
"545788"	3055.810963	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M-H+Cl"	33.962126
"942098"	1029.924363	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-H+Cl"	33.962126
"277860"	4086.742602	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+Cl"	34.969402
"668094"	6112.629202	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+Cl"	34.969402
"1281590"	2060.856002	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Cl"	34.969402
"19771"	4088.721806	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M-2H+K"	36.948606
"464803"	6114.608406	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M-2H+K"	36.948606
"845521"	2062.835206	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-2H+K"	36.948606
"1563907"	2062.835206	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+K-2H"	36.948606
"950696"	2070.884794	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-H+HCOOH"	44.998194
"366725"	4096.771401	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+HCOOH-H"	44.998201
"351701"	4110.787051	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+Hac-H"	59.013851
"1493120"	2084.900451	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Hac-H"	59.013851
"959323"	2092.866751	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-H+NaCOOH"	66.980151
"124644"	2060.856002	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+2Cl"	69.938804
"563109"	3073.799302	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+2Cl"	69.938804
"1028628"	1047.912702	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2Cl"	69.938804
"1248207"	2104.805485	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Br"	78.918885
"1312842"	2106.861472	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Cl+HCOOH"	80.974872
"1328150"	2128.843429	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Cl+NaCOOH"	102.956829
"920302"	2138.872186	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M-H+CF3COOH"	112.985586
"1300295"	2174.848864	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Cl+CF3COOH"	148.962264
"1381380"	1990.873924	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H-2H2O"	-35.012676
"1398404"	2008.8839	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H-H2O"	-17.0027
"296735"	4052.780476	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+H"	1.007276
"684780"	6078.667076	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+H"	1.007276
"1352379"	2026.893876	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H"	1.007276
"131833"	2026.893876	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+2H"	2.014552
"572488"	3039.837176	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+2H"	2.014552
"1043840"	1013.950576	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2H"	2.014552
"214659"	1351.59834266667	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+3H"	3.021828
"653126"	2026.893876	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+3H"	3.021828
"1177331"	676.302809333333	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+3H"	3.021828
"437806"	4069.807023	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+NH4"	18.033823
"799898"	6095.693623	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+NH4"	18.033823
"1696235"	2043.920423	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+NH4"	18.033823
"344393"	2035.4071495	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+H+NH4"	19.041099
"737542"	3048.3504495	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+H+NH4"	19.041099
"1491117"	1022.4638495	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H+NH4"	19.041099
"405056"	4074.762418	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+Na"	22.989218
"767876"	6100.649018	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+Na"	22.989218
"1616343"	2048.875818	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Na"	22.989218
"327106"	2037.884847	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+H+Na"	23.996494
"720989"	3050.828147	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+H+Na"	23.996494
"1474075"	1024.941547	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H+Na"	23.996494
"1066598"	683.630123333333	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2H+Na"	25.00377
"1269002"	2058.920086	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+CH3OH+H"	33.033486
"389759"	4090.736358	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+K"	38.963158
"752832"	6116.622958	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+K"	38.963158
"1545890"	2064.849758	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+K"	38.963158
"304159"	2045.871817	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+H+K"	39.970434
"703144"	3058.815117	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+H+K"	39.970434
"1456964"	1032.928517	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H+K"	39.970434
"250674"	4093.807026	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+ACN+H"	42.033826
"1220462"	2067.920426	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+ACN+H"	42.033826
"1209419"	1034.463851	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+ACN+2H"	43.041102
"201607"	4096.74436	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+2Na-H"	44.97116
"642866"	6122.63096	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+2Na-H"	44.97116
"1143579"	2070.85776	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2Na-H"	44.97116
"187472"	2048.875818	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+2Na"	45.978436
"626907"	3061.819118	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+2Na"	45.978436
"1128832"	1035.932518	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2Na"	45.978436
"1410900"	690.957437333333	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H+2Na"	46.985712
"1443016"	2072.899346	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H+HCOOH"	47.012746
"234293"	2053.90884	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+3H2O+2H"	56.04448
"1523446"	2086.95139	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+IsoProp+H"	61.06479
"421915"	2056.862788	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+Na+K"	61.952376
"779631"	3069.806088	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+Na+K"	61.952376
"1675963"	1043.919488	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Na+K"	61.952376
"263577"	4115.788968	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+ACN+Na"	64.015768
"1235191"	2089.902368	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+ACN+Na"	64.015768
"1721890"	2089.925893	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+NH4+HCOOH"	64.039293
"1188704"	698.284751333333	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+3Na"	68.967654
"1658231"	2094.881288	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Na+HCOOH"	68.994688
"166917"	4128.69224	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+2K-H"	76.91904
"607571"	6154.57884	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+2K-H"	76.91904
"1094634"	2102.80564	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2K-H"	76.91904
"152180"	2064.849758	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"2M+2K"	77.926316
"587729"	3077.793058	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"3M+2K"	77.926316
"1082453"	1051.906458	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2K"	77.926316
"1104359"	2104.820192	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2K+H"	78.933592
"1342931"	2104.907807	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+DMSO+H"	79.021207
"1005786"	2108.946976	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2ACN+H"	83.060376
"1528492"	2109.940608	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+IsoProp+Na+H"	84.054008
"997127"	1054.977126	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+2ACN+2H"	84.067652
"1591630"	2110.855228	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+K+HCOOH"	84.968628
"1419477"	2140.886738	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+H+CF3COOH"	115.000138
"1156326"	1075.490401	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+3ACN+2H"	125.094202
"1706972"	2157.913285	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+NH4+CF3COOH"	132.026685
"1644813"	2162.86868	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+Na+CF3COOH"	136.98208
"1577183"	2178.84262	"C20048"	"Apamine;Apamin"	"C79H131N31O24S4"	"2025.8866"	"M+K+CF3COOH"	152.95602
"806457"	1316.7102	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M"	0
"975980"	1297.69181	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-H2O-H"	-19.01839
"72607"	876.799524	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M-3H"	-3.021828
"513263"	1315.702924	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M-3H"	-3.021828
"887784"	437.896124	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-3H"	-3.021828
"1375"	1315.702924	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M-2H"	-2.014552
"441535"	1974.058024	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M-2H"	-2.014552
"825910"	657.347824	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-2H"	-2.014552
"93443"	2632.413124	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M-H"	-1.007276
"533243"	3949.123324	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M-H"	-1.007276
"907639"	1315.702924	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-H"	-1.007276
"62605"	2649.439671	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M-2H+NH4"	16.019271
"502722"	3966.149871	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M-2H+NH4"	16.019271
"879836"	1332.729471	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-2H+NH4"	16.019271
"47017"	2654.395066	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M-2H+Na"	20.974666
"485385"	3971.105266	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M-2H+Na"	20.974666
"862467"	1337.684866	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-2H+Na"	20.974666
"1632489"	1337.684866	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Na-2H"	20.974666
"107069"	1333.691263	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M-H+Cl"	33.962126
"546993"	1992.046363	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M-H+Cl"	33.962126
"942329"	675.336163	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-H+Cl"	33.962126
"276876"	2668.389802	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+Cl"	34.969402
"666014"	3985.100002	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+Cl"	34.969402
"1278416"	1351.679602	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Cl"	34.969402
"29975"	2670.369006	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M-2H+K"	36.948606
"469290"	3987.079206	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M-2H+K"	36.948606
"846730"	1353.658806	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-2H+K"	36.948606
"1560738"	1353.658806	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+K-2H"	36.948606
"944609"	1361.708394	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-H+HCOOH"	44.998194
"363551"	2678.418601	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+HCOOH-H"	44.998201
"350719"	2692.434251	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+Hac-H"	59.013851
"1493950"	1375.724051	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Hac-H"	59.013851
"974174"	1383.690351	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-H+NaCOOH"	66.980151
"124753"	1351.679602	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+2Cl"	69.938804
"564926"	2010.034702	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+2Cl"	69.938804
"1036396"	693.324502	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2Cl"	69.938804
"1254879"	1395.629085	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Br"	78.918885
"1311859"	1397.685072	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Cl+HCOOH"	80.974872
"1323158"	1419.667029	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Cl+NaCOOH"	102.956829
"925526"	1429.695786	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M-H+CF3COOH"	112.985586
"1301871"	1465.672464	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Cl+CF3COOH"	148.962264
"1381126"	1281.697524	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H-2H2O"	-35.012676
"1397652"	1299.7075	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H-H2O"	-17.0027
"296847"	2634.427676	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+H"	1.007276
"683797"	3951.137876	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+H"	1.007276
"1364522"	1317.717476	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H"	1.007276
"137413"	1317.717476	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+2H"	2.014552
"575882"	1976.072576	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+2H"	2.014552
"1049786"	659.362376	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2H"	2.014552
"213676"	878.814076	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+3H"	3.021828
"657613"	1317.717476	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+3H"	3.021828
"1171364"	439.910676	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+3H"	3.021828
"434639"	2651.454223	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+NH4"	18.033823
"801346"	3968.164423	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+NH4"	18.033823
"1696348"	1334.744023	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+NH4"	18.033823
"345597"	1326.2307495	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+H+NH4"	19.041099
"738222"	1984.5858495	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+H+NH4"	19.041099
"1492321"	667.8756495	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H+NH4"	19.041099
"404074"	2656.409618	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+Na"	22.989218
"766892"	3973.119818	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+Na"	22.989218
"1615721"	1339.699418	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Na"	22.989218
"322111"	1328.708447	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+H+Na"	23.996494
"720003"	1987.063547	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+H+Na"	23.996494
"1476012"	670.353347	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H+Na"	23.996494
"1067923"	447.23799	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2H+Na"	25.00377
"1270207"	1349.743686	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+CH3OH+H"	33.033486
"390241"	2672.383558	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+K"	38.963158
"751237"	3989.093758	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+K"	38.963158
"1543812"	1355.673358	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+K"	38.963158
"303175"	1336.695417	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+H+K"	39.970434
"695597"	1995.050517	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+H+K"	39.970434
"1452698"	678.340317	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H+K"	39.970434
"241301"	2675.454226	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+ACN+H"	42.033826
"1220572"	1358.744026	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+ACN+H"	42.033826
"1206644"	679.875651	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+ACN+2H"	43.041102
"202809"	2678.39156	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+2Na-H"	44.97116
"643461"	3995.10176	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+2Na-H"	44.97116
"1145021"	1361.68136	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2Na-H"	44.97116
"186971"	1339.699418	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+2Na"	45.978436
"627382"	1998.054518	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+2Na"	45.978436
"1129552"	681.344318	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2Na"	45.978436
"1412835"	454.565304	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H+2Na"	46.985712
"1444828"	1363.722946	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H+HCOOH"	47.012746
"232089"	1344.73244	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+3H2O+2H"	56.04448
"1522705"	1377.77499	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+IsoProp+H"	61.06479
"419839"	1347.686388	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+Na+K"	61.952376
"779741"	2006.041488	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+Na+K"	61.952376
"1676073"	689.331288	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Na+K"	61.952376
"259312"	2697.436168	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+ACN+Na"	64.015768
"1229835"	1380.725968	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+ACN+Na"	64.015768
"1717626"	1380.749493	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+NH4+HCOOH"	64.039293
"1187357"	461.892618	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+3Na"	68.967654
"1659437"	1385.704888	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Na+HCOOH"	68.994688
"164111"	2710.33944	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+2K-H"	76.91904
"606951"	4027.04964	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+2K-H"	76.91904
"1094743"	1393.62924	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2K-H"	76.91904
"148280"	1355.673358	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"2M+2K"	77.926316
"592216"	2014.028458	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"3M+2K"	77.926316
"1081101"	697.318258	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2K"	77.926316
"1104469"	1395.643792	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2K+H"	78.933592
"1337573"	1395.731407	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+DMSO+H"	79.021207
"1009384"	1399.770576	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2ACN+H"	83.060376
"1530790"	1400.764208	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+IsoProp+Na+H"	84.054008
"991039"	700.388926	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+2ACN+2H"	84.067652
"1591740"	1401.678828	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+K+HCOOH"	84.968628
"1416670"	1431.710338	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+H+CF3COOH"	115.000138
"1162358"	720.902201	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+3ACN+2H"	125.094202
"1712189"	1448.736885	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+NH4+CF3COOH"	132.026685
"1644923"	1453.69228	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+Na+CF3COOH"	136.98208
"1582762"	1469.66622	"C20050"	"Polisteskinin JT"	"C60H92N20O14"	"1316.7102"	"M+K+CF3COOH"	152.95602
"802921"	435.3209	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M"	0
"983382"	416.30251	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-H2O-H"	-19.01839
"74906"	289.206657333333	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M-3H"	-3.021828
"516655"	434.313624	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M-3H"	-3.021828
"884615"	144.099690666667	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-3H"	-3.021828
"4280"	434.313624	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M-2H"	-2.014552
"455352"	651.974074	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M-2H"	-2.014552
"832388"	216.653174	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-2H"	-2.014552
"94046"	869.634524	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M-H"	-1.007276
"533807"	1304.955424	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M-H"	-1.007276
"911330"	434.313624	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-H"	-1.007276
"62827"	886.661071	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M-2H+NH4"	16.019271
"502770"	1321.981971	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M-2H+NH4"	16.019271
"879834"	451.340171	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-2H+NH4"	16.019271
"47132"	891.616466	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M-2H+Na"	20.974666
"486475"	1326.937366	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M-2H+Na"	20.974666
"860386"	456.295566	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-2H+Na"	20.974666
"1629920"	456.295566	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Na-2H"	20.974666
"104262"	452.301963	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M-H+Cl"	33.962126
"547831"	669.962413	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M-H+Cl"	33.962126
"936241"	234.641513	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-H+Cl"	33.962126
"275891"	905.611202	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+Cl"	34.969402
"668311"	1340.932102	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+Cl"	34.969402
"1282913"	470.290302	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Cl"	34.969402
"26562"	907.590406	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M-2H+K"	36.948606
"469399"	1342.911306	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M-2H+K"	36.948606
"845016"	472.269506	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-2H+K"	36.948606
"1560847"	472.269506	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+K-2H"	36.948606
"947637"	480.319094	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-H+HCOOH"	44.998194
"374604"	915.640001	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+HCOOH-H"	44.998201
"351923"	929.655651	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+Hac-H"	59.013851
"1507206"	494.334751	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Hac-H"	59.013851
"972803"	502.301051	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-H+NaCOOH"	66.980151
"125593"	470.290302	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+2Cl"	69.938804
"565286"	687.950752	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+2Cl"	69.938804
"1036840"	252.629852	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2Cl"	69.938804
"1257017"	514.239785	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Br"	78.918885
"1318531"	516.295772	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Cl+HCOOH"	80.974872
"1333121"	538.277729	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Cl+NaCOOH"	102.956829
"924910"	548.306486	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M-H+CF3COOH"	112.985586
"1301982"	584.283164	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Cl+CF3COOH"	148.962264
"1381722"	400.308224	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H-2H2O"	-35.012676
"1398194"	418.3182	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H-H2O"	-17.0027
"294767"	871.649076	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+H"	1.007276
"690109"	1306.969976	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+H"	1.007276
"1359167"	436.328176	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H"	1.007276
"135340"	436.328176	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+2H"	2.014552
"573806"	653.988626	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+2H"	2.014552
"1050261"	218.667726	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2H"	2.014552
"218160"	291.221209333333	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+3H"	3.021828
"656629"	436.328176	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+3H"	3.021828
"1173660"	146.114242666667	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+3H"	3.021828
"439003"	888.675623	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+NH4"	18.033823
"800610"	1323.996523	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+NH4"	18.033823
"1696337"	453.354723	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+NH4"	18.033823
"345382"	444.8414495	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+H+NH4"	19.041099
"737523"	662.5018995	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+H+NH4"	19.041099
"1492067"	227.1809995	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H+NH4"	19.041099
"407465"	893.631018	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+Na"	22.989218
"768952"	1328.951918	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+Na"	22.989218
"1617289"	458.310118	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Na"	22.989218
"329762"	447.319147	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+H+Na"	23.996494
"722304"	664.979597	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+H+Na"	23.996494
"1476982"	229.658697	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H+Na"	23.996494
"1066817"	153.441556666667	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2H+Na"	25.00377
"1272024"	468.354386	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+CH3OH+H"	33.033486
"388165"	909.604958	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+K"	38.963158
"746242"	1344.925858	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+K"	38.963158
"1547202"	474.284058	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+K"	38.963158
"308753"	455.306117	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+H+K"	39.970434
"696800"	672.966567	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+H+K"	39.970434
"1454994"	237.645667	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H+K"	39.970434
"251291"	912.675626	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+ACN+H"	42.033826
"1223964"	477.354726	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+ACN+H"	42.033826
"1208833"	239.181001	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+ACN+2H"	43.041102
"202918"	915.61296	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+2Na-H"	44.97116
"642841"	1350.93386	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+2Na-H"	44.97116
"1145617"	480.29206	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2Na-H"	44.97116
"186721"	458.310118	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+2Na"	45.978436
"627617"	675.970568	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+2Na"	45.978436
"1130756"	240.649668	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2Na"	45.978436
"1413918"	160.768870666667	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H+2Na"	46.985712
"1444693"	482.333646	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H+HCOOH"	47.012746
"233291"	463.34314	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+3H2O+2H"	56.04448
"1522451"	496.38569	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+IsoProp+H"	61.06479
"419949"	466.297088	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+Na+K"	61.952376
"782035"	683.957538	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+Na+K"	61.952376
"1675090"	248.636638	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Na+K"	61.952376
"259423"	934.657568	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+ACN+Na"	64.015768
"1233225"	499.336668	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+ACN+Na"	64.015768
"1718829"	499.360193	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+NH4+HCOOH"	64.039293
"1187465"	168.096184666667	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+3Na"	68.967654
"1661369"	504.315588	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Na+HCOOH"	68.994688
"165313"	947.56084	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+2K-H"	76.91904
"607061"	1382.88174	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+2K-H"	76.91904
"1090480"	512.23994	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2K-H"	76.91904
"147297"	474.284058	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"2M+2K"	77.926316
"586857"	691.944508	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"3M+2K"	77.926316
"1080118"	256.623608	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2K"	77.926316
"1103484"	514.254492	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2K+H"	78.933592
"1338168"	514.342107	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+DMSO+H"	79.021207
"1011681"	518.381276	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2ACN+H"	83.060376
"1530900"	519.374908	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+IsoProp+Na+H"	84.054008
"991392"	259.694276	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+2ACN+2H"	84.067652
"1591850"	520.289528	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+K+HCOOH"	84.968628
"1427354"	550.321038	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+H+CF3COOH"	115.000138
"1160924"	280.207551	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+3ACN+2H"	125.094202
"1709381"	567.347585	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+NH4+CF3COOH"	132.026685
"1639567"	572.30298	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+Na+CF3COOH"	136.98208
"1573032"	588.27692	"C20052"	"Philanthotoxin"	"C23H41N5O3"	"435.3209"	"M+K+CF3COOH"	152.95602
"801386"	2457.2564	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M"	0
"983492"	2438.23801	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-H2O-H"	-19.01839
"75016"	1637.16365733333	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M-3H"	-3.021828
"513485"	2456.249124	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M-3H"	-3.021828
"884725"	818.078190666667	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-3H"	-3.021828
"259"	2456.249124	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M-2H"	-2.014552
"454772"	3684.877324	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M-2H"	-2.014552
"832456"	1227.620924	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-2H"	-2.014552
"94151"	4913.505524	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M-H"	-1.007276
"534076"	7370.761924	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M-H"	-1.007276
"911161"	2456.249124	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-H"	-1.007276
"62841"	4930.532071	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M-2H+NH4"	16.019271
"502802"	7387.788471	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M-2H+NH4"	16.019271
"879411"	2473.275671	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-2H+NH4"	16.019271
"47029"	4935.487466	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M-2H+Na"	20.974666
"485611"	7392.743866	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M-2H+Na"	20.974666
"860496"	2478.231066	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-2H+Na"	20.974666
"1623469"	2478.231066	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Na-2H"	20.974666
"103279"	2474.237463	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M-H+Cl"	33.962126
"543932"	3702.865663	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M-H+Cl"	33.962126
"935258"	1245.609263	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-H+Cl"	33.962126
"272721"	4949.482202	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+Cl"	34.969402
"667327"	7406.738602	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+Cl"	34.969402
"1283022"	2492.225802	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Cl"	34.969402
"29951"	4951.461406	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M-2H+K"	36.948606
"469509"	7408.717806	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M-2H+K"	36.948606
"847312"	2494.205006	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-2H+K"	36.948606
"1560957"	2494.205006	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+K-2H"	36.948606
"947747"	2502.254594	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-H+HCOOH"	44.998194
"375080"	4959.511001	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+HCOOH-H"	44.998201
"352033"	4973.526651	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+Hac-H"	59.013851
"1492899"	2516.270251	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Hac-H"	59.013851
"969501"	2524.236551	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-H+NaCOOH"	66.980151
"125638"	2492.225802	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+2Cl"	69.938804
"565599"	3720.854002	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+2Cl"	69.938804
"1036952"	1263.597602	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2Cl"	69.938804
"1254736"	2536.175285	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Br"	78.918885
"1318641"	2538.231272	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Cl+HCOOH"	80.974872
"1332866"	2560.213229	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Cl+NaCOOH"	102.956829
"925381"	2570.241986	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M-H+CF3COOH"	112.985586
"1303186"	2606.218664	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Cl+CF3COOH"	148.962264
"1382280"	2422.243724	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H-2H2O"	-35.012676
"1396652"	2440.2537	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H-H2O"	-17.0027
"292690"	4915.520076	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+H"	1.007276
"689489"	7372.776476	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+H"	1.007276
"1359277"	2458.263676	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H"	1.007276
"136543"	2458.263676	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+2H"	2.014552
"573916"	3686.891876	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+2H"	2.014552
"1050371"	1229.635476	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2H"	2.014552
"218635"	1639.17820933333	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+3H"	3.021828
"658925"	2458.263676	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+3H"	3.021828
"1172677"	820.092742666667	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+3H"	3.021828
"437778"	4932.546623	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+NH4"	18.033823
"800232"	7389.803023	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+NH4"	18.033823
"1696446"	2475.290223	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+NH4"	18.033823
"344114"	2466.7769495	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+H+NH4"	19.041099
"737268"	3695.4051495	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+H+NH4"	19.041099
"1492177"	1238.1487495	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H+NH4"	19.041099
"406483"	4937.502018	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+Na"	22.989218
"768819"	7394.758418	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+Na"	22.989218
"1615943"	2480.245618	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Na"	22.989218
"328897"	2469.254647	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+H+Na"	23.996494
"722374"	3697.882847	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+H+Na"	23.996494
"1476970"	1240.626447	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H+Na"	23.996494
"1068311"	827.420056666667	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2H+Na"	25.00377
"1271159"	2490.289886	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+CH3OH+H"	33.033486
"387546"	4953.475958	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+K"	38.963158
"748538"	7410.732358	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+K"	38.963158
"1547311"	2496.219558	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+K"	38.963158
"308863"	2477.241617	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+H+K"	39.970434
"696910"	3705.869817	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+H+K"	39.970434
"1451824"	1248.613417	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H+K"	39.970434
"250762"	4956.546626	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+ACN+H"	42.033826
"1224440"	2499.290226	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+ACN+H"	42.033826
"1209714"	1250.148751	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+ACN+2H"	43.041102
"203387"	4959.48396	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+2Na-H"	44.97116
"643309"	7416.74036	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+2Na-H"	44.97116
"1146090"	2502.22756	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2Na-H"	44.97116
"187557"	2480.245618	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+2Na"	45.978436
"627844"	3708.873818	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+2Na"	45.978436
"1130255"	1251.617418	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2Na"	45.978436
"1412322"	834.747370666667	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H+2Na"	46.985712
"1444073"	2504.269146	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H+HCOOH"	47.012746
"232307"	2485.27864	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+3H2O+2H"	56.04448
"1522925"	2518.32119	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+IsoProp+H"	61.06479
"420059"	2488.232588	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+Na+K"	61.952376
"784333"	3716.860788	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+Na+K"	61.952376
"1675200"	1259.604388	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Na+K"	61.952376
"260627"	4978.528568	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+ACN+Na"	64.015768
"1234428"	2521.272168	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+ACN+Na"	64.015768
"1720033"	2521.295693	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+NH4+HCOOH"	64.039293
"1186482"	842.074684666667	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+3Na"	68.967654
"1660749"	2526.251088	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Na+HCOOH"	68.994688
"163236"	4991.43184	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+2K-H"	76.91904
"606077"	7448.68824	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+2K-H"	76.91904
"1090589"	2534.17544	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2K-H"	76.91904
"149593"	2496.219558	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"2M+2K"	77.926316
"589153"	3724.847758	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"3M+2K"	77.926316
"1073666"	1267.591358	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2K"	77.926316
"1107968"	2536.189992	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2K+H"	78.933592
"1336205"	2536.277607	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+DMSO+H"	79.021207
"1011791"	2540.316776	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2ACN+H"	83.060376
"1529917"	2541.310408	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+IsoProp+Na+H"	84.054008
"991989"	1270.662026	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+2ACN+2H"	84.067652
"1589044"	2542.225028	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+K+HCOOH"	84.968628
"1427464"	2572.256538	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+H+CF3COOH"	115.000138
"1159940"	1291.175301	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+3ACN+2H"	125.094202
"1709491"	2589.283085	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+NH4+CF3COOH"	132.026685
"1642956"	2594.23848	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+Na+CF3COOH"	136.98208
"1573142"	2610.21242	"C20053"	"Tertiapin"	"C106H180N34O23S5"	"2457.2564"	"M+K+CF3COOH"	152.95602
"813349"	4227.8226	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M"	0
"987979"	4208.80421	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-H2O-H"	-19.01839
"75127"	2817.541124	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M-3H"	-3.021828
"516511"	4226.815324	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M-3H"	-3.021828
"891396"	1408.266924	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-3H"	-3.021828
"13256"	4226.815324	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M-2H"	-2.014552
"453546"	6340.726624	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M-2H"	-2.014552
"831958"	2112.904024	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-2H"	-2.014552
"93899"	8454.637924	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M-H"	-1.007276
"533341"	12682.460524	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M-H"	-1.007276
"910900"	4226.815324	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-H"	-1.007276
"61872"	8471.664471	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M-2H+NH4"	16.019271
"501191"	12699.487071	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M-2H+NH4"	16.019271
"879478"	4243.841871	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-2H+NH4"	16.019271
"45798"	8476.619866	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M-2H+Na"	20.974666
"485722"	12704.442466	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M-2H+Na"	20.974666
"854046"	4248.797266	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-2H+Na"	20.974666
"1626860"	4248.797266	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Na-2H"	20.974666
"100109"	4244.803663	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M-H+Cl"	33.962126
"542949"	6358.714963	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M-H+Cl"	33.962126
"937558"	2130.892363	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-H+Cl"	33.962126
"275018"	8490.614602	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+Cl"	34.969402
"670727"	12718.437202	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+Cl"	34.969402
"1277664"	4262.792002	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Cl"	34.969402
"27872"	8492.593806	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M-2H+K"	36.948606
"470348"	12720.416406	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M-2H+K"	36.948606
"844144"	4264.771206	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-2H+K"	36.948606
"1569456"	4264.771206	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+K-2H"	36.948606
"956977"	4272.820794	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-H+HCOOH"	44.998194
"375553"	8500.643401	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+HCOOH-H"	44.998201
"356519"	8514.659051	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+Hac-H"	59.013851
"1507059"	4286.836451	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Hac-H"	59.013851
"972532"	4294.802751	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-H+NaCOOH"	66.980151
"124599"	4262.792002	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+2Cl"	69.938804
"559174"	6376.703302	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+2Cl"	69.938804
"1031257"	2148.880702	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2Cl"	69.938804
"1251929"	4306.741485	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Br"	78.918885
"1318030"	4308.797472	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Cl+HCOOH"	80.974872
"1334066"	4330.779429	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Cl+NaCOOH"	102.956829
"924760"	4340.808186	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M-H+CF3COOH"	112.985586
"1300738"	4376.784864	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Cl+CF3COOH"	148.962264
"1381452"	4192.809924	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H-2H2O"	-35.012676
"1397489"	4210.8199	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H-H2O"	-17.0027
"296084"	8456.652476	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+H"	1.007276
"681945"	12684.475076	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+H"	1.007276
"1356107"	4228.829876	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H"	1.007276
"131182"	4228.829876	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+2H"	2.014552
"576211"	6342.741176	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+2H"	2.014552
"1046105"	2114.918576	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2H"	2.014552
"217286"	2819.555676	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+3H"	3.021828
"651379"	4228.829876	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+3H"	3.021828
"1174977"	1410.281476	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+3H"	3.021828
"438247"	8473.679023	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+NH4"	18.033823
"798887"	12701.501623	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+NH4"	18.033823
"1695947"	4245.856423	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+NH4"	18.033823
"344225"	4237.3431495	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+H+NH4"	19.041099
"737010"	6351.2544495	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+H+NH4"	19.041099
"1491194"	2123.4318495	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H+NH4"	19.041099
"405865"	8478.634418	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+Na"	22.989218
"765401"	12706.457018	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+Na"	22.989218
"1609125"	4250.811818	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Na"	22.989218
"323537"	4239.820847	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+H+Na"	23.996494
"717051"	6353.732147	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+H+Na"	23.996494
"1472330"	2125.909547	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H+Na"	23.996494
"1067402"	1417.60879	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2H+Na"	25.00377
"1267622"	4260.856086	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+CH3OH+H"	33.033486
"389111"	8494.608358	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+K"	38.963158
"748649"	12722.430958	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+K"	38.963158
"1546328"	4266.785758	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+K"	38.963158
"302775"	4247.807817	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+H+K"	39.970434
"696288"	6361.719117	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+H+K"	39.970434
"1460326"	2133.896517	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H+K"	39.970434
"250751"	8497.679026	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+ACN+H"	42.033826
"1225281"	4269.856426	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+ACN+H"	42.033826
"1209739"	2135.431851	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+ACN+2H"	43.041102
"204080"	8500.61636	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+2Na-H"	44.97116
"643054"	12728.43896	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+2Na-H"	44.97116
"1145960"	4272.79376	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2Na-H"	44.97116
"186937"	4250.811818	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+2Na"	45.978436
"625768"	6364.723118	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+2Na"	45.978436
"1127815"	2136.900518	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2Na"	45.978436
"1413935"	1424.936104	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H+2Na"	46.985712
"1441267"	4274.835346	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H+HCOOH"	47.012746
"230962"	4255.84484	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+3H2O+2H"	56.04448
"1521211"	4288.88739	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+IsoProp+H"	61.06479
"421628"	4258.798788	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+Na+K"	61.952376
"781892"	6372.710088	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+Na+K"	61.952376
"1678224"	2144.887488	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Na+K"	61.952376
"263649"	8519.660968	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+ACN+Na"	64.015768
"1235631"	4291.838368	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+ACN+Na"	64.015768
"1721966"	4291.861893	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+NH4+HCOOH"	64.039293
"1188051"	1432.263418	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+3Na"	68.967654
"1659767"	4296.817288	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Na+HCOOH"	68.994688
"163346"	8532.56424	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+2K-H"	76.91904
"600719"	12760.38684	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+2K-H"	76.91904
"1092522"	4304.74164	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2K-H"	76.91904
"148243"	4266.785758	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"2M+2K"	77.926316
"588899"	6380.697058	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"3M+2K"	77.926316
"1073775"	2152.874458	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2K"	77.926316
"1101760"	4306.756192	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2K+H"	78.933592
"1335831"	4306.843807	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+DMSO+H"	79.021207
"1008621"	4310.882976	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2ACN+H"	83.060376
"1524550"	4311.876608	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+IsoProp+Na+H"	84.054008
"1000848"	2155.945126	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+2ACN+2H"	84.067652
"1598632"	4312.791228	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+K+HCOOH"	84.968628
"1417004"	4342.822738	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+H+CF3COOH"	115.000138
"1157865"	2176.458401	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+3ACN+2H"	125.094202
"1707415"	4359.849285	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+NH4+CF3COOH"	132.026685
"1635776"	4364.80468	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+Na+CF3COOH"	136.98208
"1576533"	4380.77862	"C20055"	"Iberiotoxin;IbTX"	"C179H274N50O55S7"	"4227.8226"	"M+K+CF3COOH"	152.95602
"813459"	4017.9476	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M"	0
"988940"	3998.92921	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-H2O-H"	-19.01839
"69770"	2677.62445733333	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M-3H"	-3.021828
"516985"	4016.940324	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M-3H"	-3.021828
"888226"	1338.30859066667	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-3H"	-3.021828
"14097"	4016.940324	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M-2H"	-2.014552
"453655"	6025.914124	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M-2H"	-2.014552
"831705"	2007.966524	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-2H"	-2.014552
"93766"	8034.887924	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M-H"	-1.007276
"532240"	12052.835524	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M-H"	-1.007276
"910407"	4016.940324	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-H"	-1.007276
"62686"	8051.914471	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M-2H+NH4"	16.019271
"502640"	12069.862071	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M-2H+NH4"	16.019271
"879907"	4033.966871	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-2H+NH4"	16.019271
"45181"	8056.869866	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M-2H+Na"	20.974666
"484010"	12074.817466	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M-2H+Na"	20.974666
"854157"	4038.922266	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-2H+Na"	20.974666
"1622596"	4038.922266	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Na-2H"	20.974666
"101312"	4034.928663	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M-H+Cl"	33.962126
"541965"	6043.902463	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M-H+Cl"	33.962126
"938397"	2025.954863	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-H+Cl"	33.962126
"270754"	8070.864602	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+Cl"	34.969402
"673024"	12088.812202	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+Cl"	34.969402
"1277774"	4052.917002	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Cl"	34.969402
"29076"	8072.843806	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M-2H+K"	36.948606
"469853"	12090.791406	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M-2H+K"	36.948606
"844984"	4054.896206	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-2H+K"	36.948606
"1568838"	4054.896206	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+K-2H"	36.948606
"957451"	4062.945794	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-H+HCOOH"	44.998194
"374207"	8080.893401	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+HCOOH-H"	44.998201
"354443"	8094.909051	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+Hac-H"	59.013851
"1508307"	4076.961451	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Hac-H"	59.013851
"973615"	4084.927751	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-H+NaCOOH"	66.980151
"122276"	4052.917002	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+2Cl"	69.938804
"558190"	6061.890802	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+2Cl"	69.938804
"1031367"	2043.943202	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2Cl"	69.938804
"1252039"	4096.866485	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Br"	78.918885
"1317411"	4098.922472	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Cl+HCOOH"	80.974872
"1333448"	4120.904429	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Cl+NaCOOH"	102.956829
"924872"	4130.933186	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M-H+CF3COOH"	112.985586
"1300119"	4166.909864	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Cl+CF3COOH"	148.962264
"1379375"	3982.934924	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H-2H2O"	-35.012676
"1395050"	4000.9449	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H-H2O"	-17.0027
"295467"	8036.902476	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+H"	1.007276
"686795"	12054.850076	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+H"	1.007276
"1357310"	4018.954876	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H"	1.007276
"131293"	4018.954876	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+2H"	2.014552
"575958"	6027.928676	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+2H"	2.014552
"1044028"	2009.981076	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2H"	2.014552
"215939"	2679.63900933333	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+3H"	3.021828
"651489"	4018.954876	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+3H"	3.021828
"1177273"	1340.32314266667	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+3H"	3.021828
"439086"	8053.929023	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+NH4"	18.033823
"799361"	12071.876623	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+NH4"	18.033823
"1696059"	4035.981423	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+NH4"	18.033823
"344337"	4027.4681495	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+H+NH4"	19.041099
"736027"	6036.4419495	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+H+NH4"	19.041099
"1489483"	2018.4943495	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H+NH4"	19.041099
"404149"	8058.884418	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+Na"	22.989218
"765511"	12076.832018	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+Na"	22.989218
"1614336"	4040.936818	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Na"	22.989218
"324740"	4029.945847	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+H+Na"	23.996494
"718987"	6038.919647	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+H+Na"	23.996494
"1473170"	2020.972047	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H+Na"	23.996494
"1067392"	1347.65045666667	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2H+Na"	25.00377
"1271138"	4050.981086	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+CH3OH+H"	33.033486
"391410"	8074.858358	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+K"	38.963158
"751677"	12092.805958	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+K"	38.963158
"1547533"	4056.910758	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+K"	38.963158
"306895"	4037.932817	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+H+K"	39.970434
"699314"	6046.906617	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+H+K"	39.970434
"1461170"	2028.959017	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H+K"	39.970434
"250867"	8077.929026	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+ACN+H"	42.033826
"1224306"	4059.981426	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+ACN+H"	42.033826
"1208310"	2030.494351	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+ACN+2H"	43.041102
"203607"	8080.86636	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+2Na-H"	44.97116
"642079"	12098.81396	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+2Na-H"	44.97116
"1144126"	4062.91876	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2Na-H"	44.97116
"185230"	4040.936818	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+2Na"	45.978436
"624790"	6049.910618	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+2Na"	45.978436
"1129020"	2031.963018	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2Na"	45.978436
"1413274"	1354.97777066667	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H+2Na"	46.985712
"1441743"	4064.960346	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H+HCOOH"	47.012746
"235090"	4045.96984	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+3H2O+2H"	56.04448
"1521322"	4079.01239	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+IsoProp+H"	61.06479
"421374"	4048.923788	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+Na+K"	61.952376
"783464"	6057.897588	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+Na+K"	61.952376
"1678701"	2039.949988	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Na+K"	61.952376
"258657"	8099.910968	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+ACN+Na"	64.015768
"1236836"	4081.963368	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+ACN+Na"	64.015768
"1721349"	4081.986893	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+NH4+HCOOH"	64.039293
"1185609"	1362.30508466667	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+3Na"	68.967654
"1657326"	4086.942288	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Na+HCOOH"	68.994688
"163457"	8112.81424	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+2K-H"	76.91904
"600830"	12130.76184	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+2K-H"	76.91904
"1088623"	4094.86664	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2K-H"	76.91904
"150544"	4056.910758	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"2M+2K"	77.926316
"592291"	6065.884558	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"3M+2K"	77.926316
"1070605"	2047.936958	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2K"	77.926316
"1100290"	4096.881192	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2K+H"	78.933592
"1341294"	4096.968807	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+DMSO+H"	79.021207
"1008731"	4101.007976	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2ACN+H"	83.060376
"1527950"	4102.001608	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+IsoProp+Na+H"	84.054008
"1000958"	2051.007626	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+2ACN+2H"	84.067652
"1595463"	4102.916228	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+K+HCOOH"	84.968628
"1416384"	4132.947738	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+H+CF3COOH"	115.000138
"1159068"	2071.520901	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+3ACN+2H"	125.094202
"1708618"	4149.974285	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+NH4+CF3COOH"	132.026685
"1642086"	4154.92968	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+Na+CF3COOH"	136.98208
"1576643"	4170.90362	"C20056"	"Agitoxin 1;AgTX 1"	"C169H284N52O47S7"	"4017.9476"	"M+K+CF3COOH"	152.95602
"813569"	4175.948	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M"	0
"987102"	4156.92961	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-H2O-H"	-19.01839
"75348"	2782.95805733333	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M-3H"	-3.021828
"516003"	4174.940724	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M-3H"	-3.021828
"895610"	1390.97539066667	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-3H"	-3.021828
"14569"	4174.940724	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M-2H"	-2.014552
"455114"	6262.914724	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M-2H"	-2.014552
"831704"	2086.966724	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-2H"	-2.014552
"93155"	8350.888724	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M-H"	-1.007276
"533205"	12526.836724	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M-H"	-1.007276
"909669"	4174.940724	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-H"	-1.007276
"61612"	8367.915271	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M-2H+NH4"	16.019271
"501054"	12543.863271	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M-2H+NH4"	16.019271
"879220"	4191.967271	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-2H+NH4"	16.019271
"46385"	8372.870666	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M-2H+Na"	20.974666
"485093"	12548.818666	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M-2H+Na"	20.974666
"858642"	4196.922666	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-2H+Na"	20.974666
"1627081"	4196.922666	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Na-2H"	20.974666
"107982"	4192.929063	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M-H+Cl"	33.962126
"546449"	6280.903063	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M-H+Cl"	33.962126
"936682"	2104.955063	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-H+Cl"	33.962126
"274146"	8386.865402	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+Cl"	34.969402
"670947"	12562.813402	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+Cl"	34.969402
"1284444"	4210.917402	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Cl"	34.969402
"29554"	8388.844606	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M-2H+K"	36.948606
"468750"	12564.792606	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M-2H+K"	36.948606
"847528"	4212.896606	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-2H+K"	36.948606
"1569311"	4212.896606	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+K-2H"	36.948606
"957079"	4220.946194	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-H+HCOOH"	44.998194
"374322"	8396.894201	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+HCOOH-H"	44.998201
"358935"	8410.909851	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+Hac-H"	59.013851
"1505580"	4234.961851	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Hac-H"	59.013851
"973122"	4242.928151	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-H+NaCOOH"	66.980151
"124819"	4210.917402	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+2Cl"	69.938804
"563406"	6298.891402	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+2Cl"	69.938804
"1034403"	2122.943402	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2Cl"	69.938804
"1254709"	4254.866885	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Br"	78.918885
"1317157"	4256.922872	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Cl+HCOOH"	80.974872
"1332469"	4278.904829	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Cl+NaCOOH"	102.956829
"923163"	4288.933586	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M-H+CF3COOH"	112.985586
"1300233"	4324.910264	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Cl+CF3COOH"	148.962264
"1379856"	4140.935324	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H-2H2O"	-35.012676
"1395529"	4158.9453	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H-H2O"	-17.0027
"295213"	8352.903276	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+H"	1.007276
"686542"	12528.851276	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+H"	1.007276
"1357423"	4176.955276	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H"	1.007276
"133591"	4176.955276	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+2H"	2.014552
"578985"	6264.929276	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+2H"	2.014552
"1052163"	2088.981276	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2H"	2.014552
"217143"	2784.97260933333	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+3H"	3.021828
"659666"	4176.955276	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+3H"	3.021828
"1177992"	1392.98994266667	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+3H"	3.021828
"438840"	8369.929823	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+NH4"	18.033823
"800201"	12545.877823	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+NH4"	18.033823
"1695073"	4193.981823	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+NH4"	18.033823
"344446"	4185.4685495	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+H+NH4"	19.041099
"736866"	6273.4425495	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+H+NH4"	19.041099
"1491661"	2097.4945495	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H+NH4"	19.041099
"406447"	8374.885218	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+Na"	22.989218
"768538"	12550.833218	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+Na"	22.989218
"1617002"	4198.937218	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Na"	22.989218
"326674"	4187.946247	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+H+Na"	23.996494
"720554"	6275.920247	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+H+Na"	23.996494
"1475467"	2099.972247	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H+Na"	23.996494
"1067749"	1400.31725666667	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2H+Na"	25.00377
"1269302"	4208.981486	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+CH3OH+H"	33.033486
"384593"	8390.859158	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+K"	38.963158
"744497"	12566.807158	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+K"	38.963158
"1548738"	4214.911158	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+K"	38.963158
"309193"	4195.933217	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+H+K"	39.970434
"702345"	6283.907217	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+H+K"	39.970434
"1460552"	2107.959217	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H+K"	39.970434
"250489"	8393.929826	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+ACN+H"	42.033826
"1224046"	4217.981826	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+ACN+H"	42.033826
"1207569"	2109.494551	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+ACN+2H"	43.041102
"203596"	8396.86716	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+2Na-H"	44.97116
"642191"	12572.81516	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+2Na-H"	44.97116
"1144237"	4220.91916	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2Na-H"	44.97116
"186069"	4198.937218	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+2Na"	45.978436
"624899"	6286.911218	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+2Na"	45.978436
"1129498"	2110.963218	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2Na"	45.978436
"1412906"	1407.64457066667	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H+2Na"	46.985712
"1444045"	4222.960746	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H+HCOOH"	47.012746
"234107"	4203.97024	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+3H2O+2H"	56.04448
"1522897"	4237.01279	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+IsoProp+H"	61.06479
"423191"	4206.924188	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+Na+K"	61.952376
"784307"	6294.898188	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+Na+K"	61.952376
"1679177"	2118.950188	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Na+K"	61.952376
"265579"	8415.911768	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+ACN+Na"	64.015768
"1237312"	4239.963768	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+ACN+Na"	64.015768
"1719271"	4239.987293	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+NH4+HCOOH"	64.039293
"1185719"	1414.97188466667	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+3Na"	68.967654
"1659257"	4244.942688	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Na+HCOOH"	68.994688
"167212"	8428.81504	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+2K-H"	76.91904
"601304"	12604.76304	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+2K-H"	76.91904
"1088732"	4252.86704	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2K-H"	76.91904
"150654"	4214.911158	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"2M+2K"	77.926316
"592401"	6302.885158	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"3M+2K"	77.926316
"1077278"	2126.937158	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2K"	77.926316
"1101493"	4254.881592	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2K+H"	78.933592
"1337515"	4254.969207	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+DMSO+H"	79.021207
"1008842"	4259.008376	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2ACN+H"	83.060376
"1528061"	4260.002008	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+IsoProp+Na+H"	84.054008
"994509"	2130.007826	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+2ACN+2H"	84.067652
"1595572"	4260.916628	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+K+HCOOH"	84.968628
"1416857"	4290.948138	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+H+CF3COOH"	115.000138
"1150429"	2150.521101	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+3ACN+2H"	125.094202
"1704355"	4307.974685	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+NH4+CF3COOH"	132.026685
"1634576"	4312.93008	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+Na+CF3COOH"	136.98208
"1576753"	4328.90402	"C20057"	"Margatoxin;MgTX"	"C178H286N52O50S7"	"4175.948"	"M+K+CF3COOH"	152.95602
"812586"	3426.646	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M"	0
"987215"	3407.62761	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-H2O-H"	-19.01839
"75461"	2283.42339066667	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M-3H"	-3.021828
"513926"	3425.638724	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M-3H"	-3.021828
"893552"	1141.20805733333	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-3H"	-3.021828
"11397"	3425.638724	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M-2H"	-2.014552
"455342"	5138.961724	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M-2H"	-2.014552
"832339"	1712.315724	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-2H"	-2.014552
"94229"	6852.284724	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M-H"	-1.007276
"534006"	10278.930724	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M-H"	-1.007276
"911038"	3425.638724	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-H"	-1.007276
"61353"	6869.311271	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M-2H+NH4"	16.019271
"501893"	10295.957271	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M-2H+NH4"	16.019271
"879614"	3442.665271	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-2H+NH4"	16.019271
"46493"	6874.266666	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M-2H+Na"	20.974666
"482045"	10300.912666	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M-2H+Na"	20.974666
"858752"	3447.620666	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-2H+Na"	20.974666
"1629378"	3447.620666	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Na-2H"	20.974666
"107000"	3443.627063	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M-H+Cl"	33.962126
"545466"	5156.950063	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M-H+Cl"	33.962126
"932419"	1730.304063	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-H+Cl"	33.962126
"273163"	6888.261402	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+Cl"	34.969402
"671057"	10314.907402	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+Cl"	34.969402
"1281274"	3461.615402	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Cl"	34.969402
"29665"	6890.240606	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M-2H+K"	36.948606
"469952"	10316.886606	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M-2H+K"	36.948606
"848121"	3463.594606	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-2H+K"	36.948606
"1569421"	3463.594606	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+K-2H"	36.948606
"958378"	3471.644194	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-H+HCOOH"	44.998194
"376253"	6898.290201	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+HCOOH-H"	44.998201
"361229"	6912.305851	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+Hac-H"	59.013851
"1506421"	3485.659851	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Hac-H"	59.013851
"973227"	3493.626151	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-H+NaCOOH"	66.980151
"124685"	3461.615402	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+2Cl"	69.938804
"561692"	5174.938402	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+2Cl"	69.938804
"1034510"	1748.292402	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2Cl"	69.938804
"1254090"	3505.564885	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Br"	78.918885
"1316540"	3507.620872	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Cl+HCOOH"	80.974872
"1331851"	3529.602829	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Cl+NaCOOH"	102.956829
"922541"	3539.631586	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M-H+CF3COOH"	112.985586
"1300711"	3575.608264	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Cl+CF3COOH"	148.962264
"1378872"	3391.633324	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H-2H2O"	-35.012676
"1395274"	3409.6433	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H-H2O"	-17.0027
"292773"	6854.299276	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+H"	1.007276
"685923"	10280.945276	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+H"	1.007276
"1356440"	3427.653276	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H"	1.007276
"129327"	3427.653276	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+2H"	2.014552
"578734"	5140.976276	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+2H"	2.014552
"1050450"	1714.330276	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2H"	2.014552
"216525"	2285.43794266667	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+3H"	3.021828
"659369"	3427.653276	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+3H"	3.021828
"1176763"	1143.22260933333	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+3H"	3.021828
"439187"	6871.325823	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+NH4"	18.033823
"798853"	10297.971823	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+NH4"	18.033823
"1693361"	3444.679823	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+NH4"	18.033823
"344190"	3436.1665495	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+H+NH4"	19.041099
"736246"	5149.4895495	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+H+NH4"	19.041099
"1491524"	1722.8435495	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H+NH4"	19.041099
"405825"	6876.281218	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+Na"	22.989218
"766821"	10302.927218	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+Na"	22.989218
"1610545"	3449.635218	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Na"	22.989218
"329332"	3438.644247	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+H+Na"	23.996494
"718471"	5151.967247	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+H+Na"	23.996494
"1475940"	1725.321247	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H+Na"	23.996494
"1067979"	1150.54992333333	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2H+Na"	25.00377
"1270506"	3459.679486	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+CH3OH+H"	33.033486
"380330"	6892.255158	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+K"	38.963158
"744607"	10318.901158	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+K"	38.963158
"1549942"	3465.609158	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+K"	38.963158
"311858"	3446.631217	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+H+K"	39.970434
"702456"	5159.954217	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+H+K"	39.970434
"1460865"	1733.308217	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H+K"	39.970434
"249626"	6895.325826	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+ACN+H"	42.033826
"1223793"	3468.679826	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+ACN+H"	42.033826
"1209256"	1734.843551	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+ACN+2H"	43.041102
"203223"	6898.26316	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+2Na-H"	44.97116
"643266"	10324.90916	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+2Na-H"	44.97116
"1146163"	3471.61716	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2Na-H"	44.97116
"186178"	3449.635218	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+2Na"	45.978436
"625371"	5162.958218	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+2Na"	45.978436
"1129244"	1736.312218	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2Na"	45.978436
"1412406"	1157.87723733333	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H+2Na"	46.985712
"1444155"	3473.658746	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H+HCOOH"	47.012746
"233852"	3454.66824	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+3H2O+2H"	56.04448
"1523008"	3487.71079	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+IsoProp+H"	61.06479
"423058"	3457.622188	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+Na+K"	61.952376
"782956"	5170.945188	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+Na+K"	61.952376
"1677830"	1744.299188	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Na+K"	61.952376
"263259"	6917.307768	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+ACN+Na"	64.015768
"1237423"	3490.661768	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+ACN+Na"	64.015768
"1716102"	3490.685293	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+NH4+HCOOH"	64.039293
"1183644"	1165.20455133333	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+3Na"	68.967654
"1654627"	3495.640688	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Na+HCOOH"	68.994688
"160394"	6930.21104	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+2K-H"	76.91904
"600319"	10356.85704	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+2K-H"	76.91904
"1086655"	3503.56504	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2K-H"	76.91904
"142739"	3465.609158	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"2M+2K"	77.926316
"592511"	5178.932158	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"3M+2K"	77.926316
"1074109"	1752.286158	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2K"	77.926316
"1104038"	3505.579592	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2K+H"	78.933592
"1338599"	3505.667207	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+DMSO+H"	79.021207
"1008953"	3509.706376	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2ACN+H"	83.060376
"1524236"	3510.700008	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+IsoProp+Na+H"	84.054008
"997900"	1755.356826	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+2ACN+2H"	84.067652
"1595682"	3511.614628	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+K+HCOOH"	84.968628
"1416239"	3541.646138	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+H+CF3COOH"	115.000138
"1150539"	1775.870101	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+3ACN+2H"	125.094202
"1704465"	3558.672685	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+NH4+CF3COOH"	132.026685
"1634223"	3563.62808	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+Na+CF3COOH"	136.98208
"1576863"	3579.60202	"C20058"	"Leiurotoxin I;Scyllatoxin"	"C142H243N45O39S7"	"3426.646"	"M+K+CF3COOH"	152.95602
"813789"	343.2511	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M"	0
"987325"	324.23271	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-H2O-H"	-19.01839
"76299"	227.826790666667	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M-3H"	-3.021828
"515130"	342.243824	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M-3H"	-3.021828
"894026"	113.409757333333	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-3H"	-3.021828
"11507"	342.243824	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M-2H"	-2.014552
"455417"	513.869374	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M-2H"	-2.014552
"832166"	170.618274	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-2H"	-2.014552
"93739"	685.494924	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M-H"	-1.007276
"532816"	1028.746024	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M-H"	-1.007276
"909886"	342.243824	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-H"	-1.007276
"61705"	702.521471	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M-2H+NH4"	16.019271
"501270"	1045.772571	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M-2H+NH4"	16.019271
"879516"	359.270371	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-2H+NH4"	16.019271
"45510"	707.476866	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M-2H+Na"	20.974666
"486853"	1050.727966	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M-2H+Na"	20.974666
"862142"	364.225766	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-2H+Na"	20.974666
"1628395"	364.225766	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Na-2H"	20.974666
"108204"	360.232163	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M-H+Cl"	33.962126
"543389"	531.857713	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M-H+Cl"	33.962126
"936902"	188.606613	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-H+Cl"	33.962126
"274366"	721.471602	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+Cl"	34.969402
"671167"	1064.722702	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+Cl"	34.969402
"1284664"	378.220502	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Cl"	34.969402
"29776"	723.450806	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M-2H+K"	36.948606
"469698"	1066.701906	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M-2H+K"	36.948606
"847502"	380.199706	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-2H+K"	36.948606
"1570260"	380.199706	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+K-2H"	36.948606
"957903"	388.249294	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-H+HCOOH"	44.998194
"375634"	731.500401	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+HCOOH-H"	44.998201
"360972"	745.516051	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+Hac-H"	59.013851
"1507948"	402.264951	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Hac-H"	59.013851
"973217"	410.231251	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-H+NaCOOH"	66.980151
"125039"	378.220502	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+2Cl"	69.938804
"561802"	549.846052	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+2Cl"	69.938804
"1035591"	206.594952	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2Cl"	69.938804
"1254927"	422.169985	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Br"	78.918885
"1315920"	424.225972	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Cl+HCOOH"	80.974872
"1332324"	446.207929	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Cl+NaCOOH"	102.956829
"923744"	456.236686	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M-H+CF3COOH"	112.985586
"1301185"	492.213364	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Cl+CF3COOH"	148.962264
"1380075"	308.238424	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H-2H2O"	-35.012676
"1396477"	326.2484	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H-H2O"	-17.0027
"292153"	687.509476	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+H"	1.007276
"686398"	1030.760576	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+H"	1.007276
"1361656"	344.258376	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H"	1.007276
"133812"	344.258376	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+2H"	2.014552
"576655"	515.883926	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+2H"	2.014552
"1049100"	172.632826	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2H"	2.014552
"216635"	229.841342666667	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+3H"	3.021828
"658019"	344.258376	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+3H"	3.021828
"1175051"	115.424309333333	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+3H"	3.021828
"437229"	704.536023	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+NH4"	18.033823
"800986"	1047.787123	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+NH4"	18.033823
"1694199"	361.284923	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+NH4"	18.033823
"343208"	352.7716495	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+H+NH4"	19.041099
"737085"	524.3971995	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+H+NH4"	19.041099
"1490176"	181.1460995	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H+NH4"	19.041099
"405935"	709.491418	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+Na"	22.989218
"764743"	1052.742518	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+Na"	22.989218
"1616123"	366.240318	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Na"	22.989218
"328713"	355.249347	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+H+Na"	23.996494
"717487"	526.874897	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+H+Na"	23.996494
"1475684"	183.623797	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H+Na"	23.996494
"1068361"	122.751623333333	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2H+Na"	25.00377
"1271711"	376.284586	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+CH3OH+H"	33.033486
"384815"	725.465358	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+K"	38.963158
"745812"	1068.716458	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+K"	38.963158
"1550052"	382.214258	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+K"	38.963158
"313794"	363.236317	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+H+K"	39.970434
"706215"	534.861867	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+H+K"	39.970434
"1460769"	191.610767	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H+K"	39.970434
"249375"	728.536026	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+ACN+H"	42.033826
"1224512"	385.284926	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+ACN+H"	42.033826
"1208516"	193.146101	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+ACN+2H"	43.041102
"201391"	731.47336	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+2Na-H"	44.97116
"642772"	1074.72446	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+2Na-H"	44.97116
"1144817"	388.22226	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2Na-H"	44.97116
"185924"	366.240318	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+2Na"	45.978436
"626576"	537.865868	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+2Na"	45.978436
"1130328"	194.614768	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2Na"	45.978436
"1413125"	130.078937333333	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H+2Na"	46.985712
"1444992"	390.263846	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H+HCOOH"	47.012746
"234572"	371.27334	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+3H2O+2H"	56.04448
"1523605"	404.31589	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+IsoProp+H"	61.06479
"423166"	374.227288	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+Na+K"	61.952376
"784161"	545.852838	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+Na+K"	61.952376
"1678669"	202.601738	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Na+K"	61.952376
"264827"	750.517968	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+ACN+Na"	64.015768
"1238261"	407.266868	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+ACN+Na"	64.015768
"1722773"	407.290393	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+NH4+HCOOH"	64.039293
"1185942"	137.406251333333	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+3Na"	68.967654
"1655832"	412.245788	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Na+HCOOH"	68.994688
"162692"	763.42124	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+2K-H"	76.91904
"601160"	1106.67234	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+2K-H"	76.91904
"1089316"	420.17014	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2K-H"	76.91904
"147955"	382.214258	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"2M+2K"	77.926316
"594808"	553.839808	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"3M+2K"	77.926316
"1074219"	210.588708	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2K"	77.926316
"1106334"	422.184692	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2K+H"	78.933592
"1340531"	422.272307	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+DMSO+H"	79.021207
"1011249"	426.311476	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2ACN+H"	83.060376
"1526093"	427.305108	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+IsoProp+Na+H"	84.054008
"998010"	213.659376	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+2ACN+2H"	84.067652
"1595792"	428.219728	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+K+HCOOH"	84.968628
"1418172"	458.251238	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+H+CF3COOH"	115.000138
"1153929"	234.172651	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+3ACN+2H"	125.094202
"1707855"	475.277785	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+NH4+CF3COOH"	132.026685
"1634510"	480.23318	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+Na+CF3COOH"	136.98208
"1576973"	496.20712	"C20059"	"Samandenone"	"C22H33NO2"	"343.2511"	"M+K+CF3COOH"	152.95602
"813899"	910.5343	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M"	0
"987435"	891.51591	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-H2O-H"	-19.01839
"72400"	606.015590666667	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M-3H"	-3.021828
"513053"	909.527024	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M-3H"	-3.021828
"890856"	302.504157333333	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-3H"	-3.021828
"12710"	909.527024	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M-2H"	-2.014552
"454956"	1364.794174	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M-2H"	-2.014552
"831870"	454.259874	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-2H"	-2.014552
"92269"	1820.061324	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M-H"	-1.007276
"531831"	2730.595624	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M-H"	-1.007276
"908172"	909.527024	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-H"	-1.007276
"62141"	1837.087871	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M-2H+NH4"	16.019271
"502187"	2747.622171	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M-2H+NH4"	16.019271
"878572"	926.553571	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-2H+NH4"	16.019271
"45862"	1842.043266	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M-2H+Na"	20.974666
"486153"	2752.577566	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M-2H+Na"	20.974666
"861159"	931.508966	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-2H+Na"	20.974666
"1628506"	931.508966	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Na-2H"	20.974666
"100660"	927.515363	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M-H+Cl"	33.962126
"544593"	1382.782513	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M-H+Cl"	33.962126
"937013"	472.248213	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-H+Cl"	33.962126
"269007"	1856.038002	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+Cl"	34.969402
"667996"	2766.572302	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+Cl"	34.969402
"1283681"	945.503702	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Cl"	34.969402
"29518"	1858.017206	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M-2H+K"	36.948606
"470987"	2768.551506	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M-2H+K"	36.948606
"848141"	947.482906	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-2H+K"	36.948606
"1570942"	947.482906	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+K-2H"	36.948606
"958475"	955.532494	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-H+HCOOH"	44.998194
"376840"	1866.066801	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+HCOOH-H"	44.998201
"360799"	1880.082451	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+Hac-H"	59.013851
"1508421"	969.548151	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Hac-H"	59.013851
"974114"	977.514451	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-H+NaCOOH"	66.980151
"124299"	945.503702	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+2Cl"	69.938804
"561914"	1400.770852	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+2Cl"	69.938804
"1036837"	490.236552	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2Cl"	69.938804
"1255764"	989.453185	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Br"	78.918885
"1318583"	991.509172	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Cl+HCOOH"	80.974872
"1333528"	1013.491129	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Cl+NaCOOH"	102.956829
"926284"	1023.519886	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M-H+CF3COOH"	112.985586
"1303116"	1059.496564	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Cl+CF3COOH"	148.962264
"1380916"	875.521624	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H-2H2O"	-35.012676
"1396225"	893.5316	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H-H2O"	-17.0027
"295908"	1822.075876	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+H"	1.007276
"687238"	2732.610176	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+H"	1.007276
"1362131"	911.541576	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H"	1.007276
"133922"	911.541576	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+2H"	2.014552
"574577"	1366.808726	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+2H"	2.014552
"1046293"	456.274426	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2H"	2.014552
"214557"	608.030142666667	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+3H"	3.021828
"657764"	911.541576	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+3H"	3.021828
"1176258"	304.518709333333	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+3H"	3.021828
"436855"	1839.102423	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+NH4"	18.033823
"799069"	2749.636723	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+NH4"	18.033823
"1695649"	928.568123	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+NH4"	18.033823
"344046"	920.0548495	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+H+NH4"	19.041099
"736833"	1375.3219995	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+H+NH4"	19.041099
"1491015"	464.7876995	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H+NH4"	19.041099
"403858"	1844.057818	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+Na"	22.989218
"764853"	2754.592118	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+Na"	22.989218
"1612953"	933.523518	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Na"	22.989218
"328459"	922.532547	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+H+Na"	23.996494
"718691"	1377.799697	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+H+Na"	23.996494
"1474703"	467.265397	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H+Na"	23.996494
"1065403"	311.846023333333	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2H+Na"	25.00377
"1271457"	943.567786	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+CH3OH+H"	33.033486
"386750"	1860.031758	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+K"	38.963158
"747746"	2770.566058	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+K"	38.963158
"1548705"	949.497458	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+K"	38.963158
"314108"	930.519517	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+H+K"	39.970434
"706855"	1385.786667	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+H+K"	39.970434
"1459420"	475.252367	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H+K"	39.970434
"246564"	1863.102426	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+ACN+H"	42.033826
"1223652"	952.568126	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+ACN+H"	42.033826
"1208990"	476.787701	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+ACN+2H"	43.041102
"201865"	1866.03976	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+2Na-H"	44.97116
"642762"	2776.57406	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+2Na-H"	44.97116
"1144927"	955.50546	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2Na-H"	44.97116
"186396"	933.523518	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+2Na"	45.978436
"626321"	1388.790668	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+2Na"	45.978436
"1126544"	478.256368	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2Na"	45.978436
"1412867"	319.173337333333	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H+2Na"	46.985712
"1440725"	957.547046	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H+HCOOH"	47.012746
"234067"	938.55654	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+3H2O+2H"	56.04448
"1523225"	971.59909	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+IsoProp+H"	61.06479
"421816"	941.510488	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+Na+K"	61.952376
"781716"	1396.777638	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+Na+K"	61.952376
"1674765"	486.243338	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Na+K"	61.952376
"263109"	1885.084368	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+ACN+Na"	64.015768
"1236911"	974.550068	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+ACN+Na"	64.015768
"1725070"	974.573593	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+NH4+HCOOH"	64.039293
"1184961"	326.500651333333	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+3Na"	68.967654
"1657037"	979.528988	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Na+HCOOH"	68.994688
"161712"	1897.98764	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+2K-H"	76.91904
"601271"	2808.52194	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+2K-H"	76.91904
"1096355"	987.45334	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2K-H"	76.91904
"146973"	949.497458	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"2M+2K"	77.926316
"589815"	1404.764608	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"3M+2K"	77.926316
"1074329"	494.230308	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2K"	77.926316
"1107537"	989.467892	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2K+H"	78.933592
"1339548"	989.555507	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+DMSO+H"	79.021207
"1011359"	993.594676	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2ACN+H"	83.060376
"1526203"	994.588308	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+IsoProp+Na+H"	84.054008
"1000307"	497.300976	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+2ACN+2H"	84.067652
"1595902"	995.502928	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+K+HCOOH"	84.968628
"1418282"	1025.534438	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+H+CF3COOH"	115.000138
"1150759"	517.814251	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+3ACN+2H"	125.094202
"1707965"	1042.560985	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+NH4+CF3COOH"	132.026685
"1634870"	1047.51638	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+Na+CF3COOH"	136.98208
"1577083"	1063.49032	"C20060"	"Cephalostatin 1"	"C54H74N2O10"	"910.5343"	"M+K+CF3COOH"	152.95602
"814009"	912.55	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M"	0
"987911"	893.53161	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-H2O-H"	-19.01839
"72510"	607.359390666667	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M-3H"	-3.021828
"513163"	911.542724	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M-3H"	-3.021828
"887686"	303.176057333333	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-3H"	-3.021828
"12820"	911.542724	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M-2H"	-2.014552
"454214"	1367.817724	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M-2H"	-2.014552
"831163"	455.267724	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-2H"	-2.014552
"91524"	1824.092724	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M-H"	-1.007276
"532299"	2736.642724	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M-H"	-1.007276
"909009"	911.542724	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-H"	-1.007276
"60465"	1841.119271	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M-2H+NH4"	16.019271
"496750"	2753.669271	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M-2H+NH4"	16.019271
"876006"	928.569271	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-2H+NH4"	16.019271
"43904"	1846.074666	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M-2H+Na"	20.974666
"483466"	2758.624666	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M-2H+Na"	20.974666
"853615"	933.524666	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-2H+Na"	20.974666
"1622055"	933.524666	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Na-2H"	20.974666
"94732"	929.531063	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M-H+Cl"	33.962126
"538143"	1385.806063	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M-H+Cl"	33.962126
"931657"	473.256063	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-H+Cl"	33.962126
"267333"	1860.069402	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+Cl"	34.969402
"661909"	2772.619402	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+Cl"	34.969402
"1281603"	947.519402	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Cl"	34.969402
"23066"	1862.048606	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M-2H+K"	36.948606
"469555"	2774.598606	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M-2H+K"	36.948606
"841523"	949.498606	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-2H+K"	36.948606
"1562823"	949.498606	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+K-2H"	36.948606
"950705"	957.548194	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-H+HCOOH"	44.998194
"373661"	1870.098201	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+HCOOH-H"	44.998201
"359733"	1884.113851	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+Hac-H"	59.013851
"1507479"	971.563851	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Hac-H"	59.013851
"972463"	979.530151	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-H+NaCOOH"	66.980151
"123557"	947.519402	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+2Cl"	69.938804
"558743"	1403.794402	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+2Cl"	69.938804
"1034107"	491.244402	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2Cl"	69.938804
"1254778"	991.468885	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Br"	78.918885
"1318326"	993.524872	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Cl+HCOOH"	80.974872
"1334245"	1015.506829	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Cl+NaCOOH"	102.956829
"925422"	1025.535586	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M-H+CF3COOH"	112.985586
"1302984"	1061.512264	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Cl+CF3COOH"	148.962264
"1381754"	877.537324	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H-2H2O"	-35.012676
"1397793"	895.5473	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H-H2O"	-17.0027
"296018"	1826.107276	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+H"	1.007276
"689168"	2738.657276	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+H"	1.007276
"1360050"	913.557276	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H"	1.007276
"130750"	913.557276	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+2H"	2.014552
"572499"	1369.832276	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+2H"	2.014552
"1045673"	457.282276	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2H"	2.014552
"212479"	609.373942666667	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+3H"	3.021828
"657753"	913.557276	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+3H"	3.021828
"1177096"	305.190609333333	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+3H"	3.021828
"437086"	1843.133823	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+NH4"	18.033823
"799907"	2755.683823	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+NH4"	18.033823
"1695759"	930.583823	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+NH4"	18.033823
"344521"	922.0705495	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+H+NH4"	19.041099
"737307"	1378.3455495	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+H+NH4"	19.041099
"1491857"	465.7955495	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H+NH4"	19.041099
"403968"	1848.089218	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+Na"	22.989218
"764963"	2760.639218	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+Na"	22.989218
"1613063"	935.539218	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Na"	22.989218
"328571"	924.548247	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+H+Na"	23.996494
"718802"	1380.823247	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+H+Na"	23.996494
"1475177"	468.273247	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H+Na"	23.996494
"1065512"	312.517923333333	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2H+Na"	25.00377
"1270109"	945.583486	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+CH3OH+H"	33.033486
"385767"	1864.063158	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+K"	38.963158
"749679"	2776.613158	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+K"	38.963158
"1548815"	951.513158	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+K"	38.963158
"312190"	932.535217	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+H+K"	39.970434
"704614"	1388.810217	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+H+K"	39.970434
"1458800"	476.260217	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H+K"	39.970434
"245581"	1867.133826	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+ACN+H"	42.033826
"1220476"	954.583826	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+ACN+H"	42.033826
"1206182"	477.795551	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+ACN+2H"	43.041102
"199785"	1870.07116	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+2Na-H"	44.97116
"640438"	2782.62116	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+2Na-H"	44.97116
"1142851"	957.52116	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2Na-H"	44.97116
"183588"	935.539218	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+2Na"	45.978436
"623514"	1391.814218	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+2Na"	45.978436
"1125925"	479.264218	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2Na"	45.978436
"1410908"	319.845237333333	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H+2Na"	46.985712
"1440106"	959.562746	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H+HCOOH"	47.012746
"231989"	940.57224	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+3H2O+2H"	56.04448
"1520782"	973.61479	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+IsoProp+H"	61.06479
"421562"	943.526188	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+Na+K"	61.952376
"781459"	1399.801188	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+Na+K"	61.952376
"1675603"	487.251188	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Na+K"	61.952376
"260301"	1889.115768	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+ACN+Na"	64.015768
"1231916"	976.565768	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+ACN+Na"	64.015768
"1717524"	976.589293	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+NH4+HCOOH"	64.039293
"1189441"	327.172551333333	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+3Na"	68.967654
"1653865"	981.544688	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Na+HCOOH"	68.994688
"160726"	1902.01904	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+2K-H"	76.91904
"601380"	2814.56904	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+2K-H"	76.91904
"1086986"	989.46904	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2K-H"	76.91904
"147083"	951.513158	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"2M+2K"	77.926316
"585549"	1407.788158	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"3M+2K"	77.926316
"1074439"	495.238158	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2K"	77.926316
"1106554"	991.483592	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2K+H"	78.933592
"1339658"	991.571207	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+DMSO+H"	79.021207
"1008187"	995.610376	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2ACN+H"	83.060376
"1524320"	996.604008	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+IsoProp+Na+H"	84.054008
"993855"	498.308826	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+2ACN+2H"	84.067652
"1590907"	997.518628	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+K+HCOOH"	84.968628
"1415473"	1027.550138	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+H+CF3COOH"	115.000138
"1150869"	518.822101	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+3ACN+2H"	125.094202
"1708075"	1044.576685	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+NH4+CF3COOH"	132.026685
"1634980"	1049.53208	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+Na+CF3COOH"	136.98208
"1577193"	1065.50602	"C20061"	"Ritterazine A"	"C54H76N2O10"	"912.55"	"M+K+CF3COOH"	152.95602
"813026"	901.152	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M"	0
"989114"	882.13361	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H2O-H"	-19.01839
"73713"	599.760724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-3H"	-3.021828
"514366"	900.144724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-3H"	-3.021828
"891076"	299.376724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-3H"	-3.021828
"12930"	900.144724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H"	-2.014552
"453963"	1350.720724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H"	-2.014552
"831036"	449.568724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H"	-2.014552
"92123"	1801.296724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H"	-1.007276
"532534"	2702.448724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H"	-1.007276
"909365"	900.144724	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H"	-1.007276
"58391"	1818.323271	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+NH4"	16.019271
"499415"	2719.475271	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+NH4"	16.019271
"876119"	917.171271	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+NH4"	16.019271
"42921"	1823.278666	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+Na"	20.974666
"483580"	2724.430666	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+Na"	20.974666
"852631"	922.126666	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+Na"	20.974666
"1621071"	922.126666	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na-2H"	20.974666
"101974"	918.133063	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-H+Cl"	33.962126
"538253"	1368.709063	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-H+Cl"	33.962126
"932861"	467.557063	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+Cl"	33.962126
"268862"	1837.273402	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Cl"	34.969402
"664935"	2738.425402	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Cl"	34.969402
"1281713"	936.121402	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl"	34.969402
"23176"	1839.252606	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M-2H+K"	36.948606
"470393"	2740.404606	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M-2H+K"	36.948606
"839446"	938.100606	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-2H+K"	36.948606
"1562933"	938.100606	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K-2H"	36.948606
"950815"	946.150194	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+HCOOH"	44.998194
"373042"	1847.302201	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+HCOOH-H"	44.998201
"360816"	1861.317851	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Hac-H"	59.013851
"1507954"	960.165851	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Hac-H"	59.013851
"972574"	968.132151	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+NaCOOH"	66.980151
"125208"	936.121402	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Cl"	69.938804
"562133"	1386.697402	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Cl"	69.938804
"1032026"	485.545402	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Cl"	69.938804
"1254888"	980.070885	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Br"	78.918885
"1318069"	982.126872	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+HCOOH"	80.974872
"1335206"	1004.108829	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+NaCOOH"	102.956829
"926625"	1014.137586	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M-H+CF3COOH"	112.985586
"1304176"	1050.114264	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Cl+CF3COOH"	148.962264
"1382350"	866.139324	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-2H2O"	-35.012676
"1398107"	884.1493	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H-H2O"	-17.0027
"295763"	1803.311276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H"	1.007276
"688550"	2704.463276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H"	1.007276
"1360160"	902.159276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H"	1.007276
"135235"	902.159276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2H"	2.014552
"573704"	1352.735276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2H"	2.014552
"1044690"	451.583276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H"	2.014552
"212590"	601.775276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H"	3.021828
"656528"	902.159276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+3H"	3.021828
"1175383"	301.391276	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3H"	3.021828
"437197"	1820.337823	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+NH4"	18.033823
"799652"	2721.489823	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+NH4"	18.033823
"1695620"	919.185823	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4"	18.033823
"345358"	910.6725495	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+NH4"	19.041099
"738066"	1361.2485495	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+NH4"	19.041099
"1492603"	460.0965495	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+NH4"	19.041099
"402985"	1825.293218	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na"	22.989218
"763980"	2726.445218	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na"	22.989218
"1615359"	924.141218	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na"	22.989218
"327218"	913.150247	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+Na"	23.996494
"720004"	1363.726247	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+Na"	23.996494
"1475651"	462.574247	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+Na"	23.996494
"1067204"	308.71859	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2H+Na"	25.00377
"1270218"	934.185486	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+CH3OH+H"	33.033486
"388428"	1841.267158	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+K"	38.963158
"749789"	2742.419158	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+K"	38.963158
"1548196"	940.115158	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K"	38.963158
"312664"	921.137217	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+H+K"	39.970434
"705089"	1371.713217	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+H+K"	39.970434
"1460004"	470.561217	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+K"	39.970434
"246784"	1844.337826	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+H"	42.033826
"1222773"	943.185826	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+H"	42.033826
"1207023"	472.096551	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+2H"	43.041102
"199897"	1847.27516	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na-H"	44.97116
"640185"	2748.42716	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na-H"	44.97116
"1143327"	946.12316	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na-H"	44.97116
"184795"	924.141218	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2Na"	45.978436
"624718"	1374.717218	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2Na"	45.978436
"1126763"	473.565218	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2Na"	45.978436
"1410287"	316.045904	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+2Na"	46.985712
"1439121"	948.164746	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+HCOOH"	47.012746
"233924"	929.17424	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+3H2O+2H"	56.04448
"1522349"	962.21679	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+H"	61.06479
"422764"	932.128188	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+Na+K"	61.952376
"784731"	1382.704188	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+Na+K"	61.952376
"1676808"	481.552188	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+K"	61.952376
"264421"	1866.319768	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+ACN+Na"	64.015768
"1234214"	965.167768	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+ACN+Na"	64.015768
"1716540"	965.191293	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+HCOOH"	64.039293
"1187365"	323.373218	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3Na"	68.967654
"1653975"	970.146688	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+HCOOH"	68.994688
"160836"	1879.22304	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K-H"	76.91904
"601490"	2780.37504	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K-H"	76.91904
"1091471"	978.07104	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K-H"	76.91904
"146100"	940.115158	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"2M+2K"	77.926316
"584566"	1390.691158	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"3M+2K"	77.926316
"1075642"	489.539158	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K"	77.926316
"1108853"	980.085592	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2K+H"	78.933592
"1341956"	980.173207	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+DMSO+H"	79.021207
"1010120"	984.212376	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+H"	83.060376
"1526423"	985.206008	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+IsoProp+Na+H"	84.054008
"993965"	492.609826	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+2ACN+2H"	84.067652
"1595029"	986.120628	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+HCOOH"	84.968628
"1416314"	1016.152138	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+H+CF3COOH"	115.000138
"1150980"	513.123101	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+3ACN+2H"	125.094202
"1708185"	1033.178685	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+NH4+CF3COOH"	132.026685
"1636183"	1038.13408	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+Na+CF3COOH"	136.98208
"1577303"	1054.10802	"C20062"	"2-(12-Epoxy-12-dihydrophenyl)acetyl-CoA"	"C29H42N7O18P3S"	"901.152"	"M+K+CF3COOH"	152.95602
"815325"	2653.0427	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M"	0
"986673"	2634.02431	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-H2O-H"	-19.01839
"73823"	1767.68785733333	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M-3H"	-3.021828
"511195"	2652.035424	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M-3H"	-3.021828
"886810"	883.340290666667	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-3H"	-3.021828
"11951"	2652.035424	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M-2H"	-2.014552
"454922"	3978.556774	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M-2H"	-2.014552
"831148"	1325.514074	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-2H"	-2.014552
"90777"	5305.078124	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M-H"	-1.007276
"530339"	7958.120824	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M-H"	-1.007276
"908865"	2652.035424	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-H"	-1.007276
"57410"	5322.104671	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M-2H+NH4"	16.019271
"500610"	7975.147371	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M-2H+NH4"	16.019271
"875132"	2669.061971	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-2H+NH4"	16.019271
"40847"	5327.060066	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M-2H+Na"	20.974666
"481500"	7980.102766	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M-2H+Na"	20.974666
"852741"	2674.017366	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-2H+Na"	20.974666
"1623368"	2674.017366	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Na-2H"	20.974666
"98802"	2670.023763	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M-H+Cl"	33.962126
"542735"	3996.545113	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M-H+Cl"	33.962126
"928958"	1343.502413	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-H+Cl"	33.962126
"271532"	5341.054802	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+Cl"	34.969402
"663223"	7994.097502	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+Cl"	34.969402
"1275621"	2688.012102	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Cl"	34.969402
"26568"	5343.034006	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M-2H+K"	36.948606
"461755"	7996.076706	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M-2H+K"	36.948606
"842837"	2689.991306	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-2H+K"	36.948606
"1569605"	2689.991306	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+K-2H"	36.948606
"958432"	2698.040894	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-H+HCOOH"	44.998194
"375220"	5351.083601	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+HCOOH-H"	44.998201
"359837"	5365.099251	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+Hac-H"	59.013851
"1507330"	2712.056551	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Hac-H"	59.013851
"971592"	2720.022851	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-H+NaCOOH"	66.980151
"124871"	2688.012102	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+2Cl"	69.938804
"560057"	4014.533452	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+2Cl"	69.938804
"1035419"	1361.490752	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2Cl"	69.938804
"1249529"	2731.961585	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Br"	78.918885
"1310157"	2734.017572	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Cl+HCOOH"	80.974872
"1334223"	2755.999529	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Cl+NaCOOH"	102.956829
"925646"	2766.028286	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M-H+CF3COOH"	112.985586
"1299433"	2802.004964	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Cl+CF3COOH"	148.962264
"1379781"	2618.030024	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H-2H2O"	-35.012676
"1388531"	2636.04	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H-H2O"	-17.0027
"291864"	5307.092676	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+H"	1.007276
"681732"	7960.135376	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+H"	1.007276
"1354800"	2654.049976	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H"	1.007276
"128783"	2654.049976	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+2H"	2.014552
"572719"	3980.571326	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+2H"	2.014552
"1044800"	1327.528626	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2H"	2.014552
"213794"	1769.70240933333	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+3H"	3.021828
"653356"	2654.049976	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+3H"	3.021828
"1174763"	885.354842666667	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+3H"	3.021828
"433659"	5324.119223	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+NH4"	18.033823
"795748"	7977.161923	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+NH4"	18.033823
"1694268"	2671.076523	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+NH4"	18.033823
"339266"	2662.5632495	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+H+NH4"	19.041099
"736791"	3989.0845995	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+H+NH4"	19.041099
"1488788"	1336.0418995	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H+NH4"	19.041099
"407468"	5329.074618	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+Na"	22.989218
"764090"	7982.117318	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+Na"	22.989218
"1613282"	2676.031918	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Na"	22.989218
"321131"	2665.040947	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+H+Na"	23.996494
"721822"	3991.562297	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+H+Na"	23.996494
"1472853"	1338.519597	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H+Na"	23.996494
"1066947"	892.682156666667	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2H+Na"	25.00377
"1265589"	2686.076186	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+CH3OH+H"	33.033486
"387445"	5345.048558	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+K"	38.963158
"750627"	7998.091258	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+K"	38.963158
"1550493"	2692.005858	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+K"	38.963158
"312043"	2673.027917	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+H+K"	39.970434
"706292"	3999.549267	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+H+K"	39.970434
"1459021"	1346.506567	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H+K"	39.970434
"244709"	5348.119226	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+ACN+H"	42.033826
"1220696"	2695.076526	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+ACN+H"	42.033826
"1205674"	1348.041901	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+ACN+2H"	43.041102
"200007"	5351.05656	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+2Na-H"	44.97116
"639202"	8004.09926	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+2Na-H"	44.97116
"1144898"	2698.01386	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2Na-H"	44.97116
"186362"	2676.031918	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+2Na"	45.978436
"626286"	4002.553268	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+2Na"	45.978436
"1127968"	1349.510568	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2Na"	45.978436
"1410764"	900.009470666667	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H+2Na"	46.985712
"1441420"	2700.055446	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H+HCOOH"	47.012746
"234036"	2681.06494	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+3H2O+2H"	56.04448
"1522341"	2714.10749	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+IsoProp+H"	61.06479
"423243"	2684.018888	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+Na+K"	61.952376
"783870"	4010.540238	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+Na+K"	61.952376
"1679470"	1357.497538	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Na+K"	61.952376
"259429"	5370.101168	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+ACN+Na"	64.015768
"1235417"	2717.058468	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+ACN+Na"	64.015768
"1717744"	2717.081993	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+NH4+HCOOH"	64.039293
"1184191"	907.336784666667	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+3Na"	68.967654
"1656272"	2722.037388	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Na+HCOOH"	68.994688
"161311"	5383.00444	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+2K-H"	76.91904
"603786"	8036.04714	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+2K-H"	76.91904
"1088298"	2729.96174	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2K-H"	76.91904
"145113"	2692.005858	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"2M+2K"	77.926316
"582728"	4018.527208	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"3M+2K"	77.926316
"1071373"	1365.484508	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2K"	77.926316
"1106772"	2731.976292	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2K+H"	78.933592
"1337565"	2732.063907	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+DMSO+H"	79.021207
"1007309"	2736.103076	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2ACN+H"	83.060376
"1528717"	2737.096708	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+IsoProp+Na+H"	84.054008
"994071"	1368.555176	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+2ACN+2H"	84.067652
"1589672"	2738.011328	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+K+HCOOH"	84.968628
"1421895"	2768.042838	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+H+CF3COOH"	115.000138
"1154371"	1389.068451	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+3ACN+2H"	125.094202
"1697726"	2785.069385	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+NH4+CF3COOH"	132.026685
"1636295"	2790.02478	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+Na+CF3COOH"	136.98208
"1574134"	2805.99872	"C20064"	"kappa-Hefutoxin 1"	"C105H156N38O36S4"	"2653.0427"	"M+K+CF3COOH"	152.95602
"815073"	3609.4995	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M"	0
"987514"	3590.48111	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-H2O-H"	-19.01839
"76486"	2405.325724	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M-3H"	-3.021828
"514586"	3608.492224	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M-3H"	-3.021828
"885827"	1202.159224	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-3H"	-3.021828
"15481"	3608.492224	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M-2H"	-2.014552
"452731"	5413.241974	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M-2H"	-2.014552
"829075"	1803.742474	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-2H"	-2.014552
"89431"	7217.991724	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M-H"	-1.007276
"531178"	10827.491224	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M-H"	-1.007276
"908248"	3608.492224	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-H"	-1.007276
"60438"	7235.018271	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M-2H+NH4"	16.019271
"501090"	10844.517771	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M-2H+NH4"	16.019271
"877434"	3625.518771	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-2H+NH4"	16.019271
"46629"	7239.973666	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M-2H+Na"	20.974666
"485987"	10849.473166	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M-2H+Na"	20.974666
"855041"	3630.474166	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-2H+Na"	20.974666
"1626760"	3630.474166	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Na-2H"	20.974666
"106568"	3626.480563	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M-H+Cl"	33.962126
"547221"	5431.230313	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M-H+Cl"	33.962126
"937455"	1821.730813	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-H+Cl"	33.962126
"274922"	7253.968402	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+Cl"	34.969402
"673540"	10863.467902	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+Cl"	34.969402
"1286678"	3644.468902	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Cl"	34.969402
"29958"	7255.947606	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M-2H+K"	36.948606
"470615"	10865.447106	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M-2H+K"	36.948606
"847329"	3646.448106	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-2H+K"	36.948606
"1569725"	3646.448106	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+K-2H"	36.948606
"958096"	3654.497694	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-H+HCOOH"	44.998194
"376430"	7263.997201	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+HCOOH-H"	44.998201
"359952"	7278.012851	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+Hac-H"	59.013851
"1508052"	3668.513351	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Hac-H"	59.013851
"973166"	3676.479651	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-H+NaCOOH"	66.980151
"125471"	3644.468902	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+2Cl"	69.938804
"562354"	5449.218652	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+2Cl"	69.938804
"1035529"	1839.719152	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2Cl"	69.938804
"1252919"	3688.418385	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Br"	78.918885
"1317567"	3690.474372	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Cl+HCOOH"	80.974872
"1335183"	3712.456329	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Cl+NaCOOH"	102.956829
"926484"	3722.485086	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M-H+CF3COOH"	112.985586
"1302467"	3758.461764	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Cl+CF3COOH"	148.962264
"1381965"	3574.486824	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H-2H2O"	-35.012676
"1391923"	3592.4968	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H-H2O"	-17.0027
"295624"	7220.006276	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+H"	1.007276
"690356"	10829.505776	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+H"	1.007276
"1361474"	3610.506776	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H"	1.007276
"136916"	3610.506776	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+2H"	2.014552
"571737"	5415.256526	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+2H"	2.014552
"1051474"	1805.757026	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2H"	2.014552
"219010"	2407.340276	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+3H"	3.021828
"657844"	3610.506776	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+3H"	3.021828
"1177431"	1204.173776	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+3H"	3.021828
"439484"	7237.032823	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+NH4"	18.033823
"800115"	10846.532323	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+NH4"	18.033823
"1696206"	3627.533323	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+NH4"	18.033823
"338283"	3619.0200495	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+H+NH4"	19.041099
"732892"	5423.7697995	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+H+NH4"	19.041099
"1491821"	1814.2702995	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H+NH4"	19.041099
"406486"	7241.988218	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+Na"	22.989218
"767482"	10851.487718	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+Na"	22.989218
"1615216"	3632.488718	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Na"	22.989218
"326712"	3621.497747	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+H+Na"	23.996494
"721203"	5426.247497	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+H+Na"	23.996494
"1474057"	1816.747997	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H+Na"	23.996494
"1066209"	1211.50109	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2H+Na"	25.00377
"1270076"	3642.532986	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+CH3OH+H"	33.033486
"384274"	7257.962158	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+K"	38.963158
"751833"	10867.461658	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+K"	38.963158
"1553889"	3648.462658	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+K"	38.963158
"313497"	3629.484717	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+H+K"	39.970434
"706402"	5434.234467	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+H+K"	39.970434
"1459495"	1824.734967	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H+K"	39.970434
"245911"	7261.032826	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+ACN+H"	42.033826
"1220807"	3651.533326	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+ACN+H"	42.033826
"1208338"	1826.270301	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+ACN+2H"	43.041102
"201940"	7263.97016	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+2Na-H"	44.97116
"641133"	10873.46966	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+2Na-H"	44.97116
"1146224"	3654.47066	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2Na-H"	44.97116
"188023"	3632.488718	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+2Na"	45.978436
"627376"	5437.238468	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+2Na"	45.978436
"1130882"	1827.738968	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2Na"	45.978436
"1413064"	1218.828404	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H+2Na"	46.985712
"1444815"	3656.512246	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H+HCOOH"	47.012746
"233053"	3637.52174	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+3H2O+2H"	56.04448
"1523667"	3670.56429	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+IsoProp+H"	61.06479
"422991"	3640.475688	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+Na+K"	61.952376
"785623"	5445.225438	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+Na+K"	61.952376
"1681277"	1835.725938	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Na+K"	61.952376
"265737"	7283.014768	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+ACN+Na"	64.015768
"1233345"	3673.515268	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+ACN+Na"	64.015768
"1721135"	3673.538793	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+NH4+HCOOH"	64.039293
"1184303"	1226.155718	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+3Na"	68.967654
"1656016"	3678.494188	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Na+HCOOH"	68.994688
"161056"	7295.91804	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+2K-H"	76.91904
"602802"	10905.41754	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+2K-H"	76.91904
"1091693"	3686.41854	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2K-H"	76.91904
"152882"	3648.462658	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"2M+2K"	77.926316
"591348"	5453.212408	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"3M+2K"	77.926316
"1073673"	1843.712908	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2K"	77.926316
"1106883"	3688.433092	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2K+H"	78.933592
"1348736"	3688.520707	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+DMSO+H"	79.021207
"1015079"	3692.559876	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2ACN+H"	83.060376
"1531016"	3693.553508	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+IsoProp+Na+H"	84.054008
"996371"	1846.783576	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+2ACN+2H"	84.067652
"1591969"	3694.468128	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+K+HCOOH"	84.968628
"1422005"	3724.499638	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+H+CF3COOH"	115.000138
"1154481"	1867.296851	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+3ACN+2H"	125.094202
"1697593"	3741.526185	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+NH4+CF3COOH"	132.026685
"1636405"	3746.48158	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+Na+CF3COOH"	136.98208
"1574244"	3762.45552	"C20065"	"Maurotoxin;MTX"	"C145H232N46O46S8"	"3609.4995"	"M+K+CF3COOH"	152.95602
"815791"	4088.8935	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M"	0
"981426"	4069.87511	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-H2O-H"	-19.01839
"63229"	2724.921724	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M-3H"	-3.021828
"508134"	4087.886224	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M-3H"	-3.021828
"880468"	1361.957224	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-3H"	-3.021828
"12174"	4087.886224	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M-2H"	-2.014552
"454652"	6132.332974	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M-2H"	-2.014552
"832540"	2043.439474	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-2H"	-2.014552
"93547"	8176.779724	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M-H"	-1.007276
"532625"	12265.673224	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M-H"	-1.007276
"908724"	4087.886224	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-H"	-1.007276
"61034"	8193.806271	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M-2H+NH4"	16.019271
"500717"	12282.699771	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M-2H+NH4"	16.019271
"878883"	4104.912771	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-2H+NH4"	16.019271
"45442"	8198.761666	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M-2H+Na"	20.974666
"485002"	12287.655166	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M-2H+Na"	20.974666
"856244"	4109.868166	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-2H+Na"	20.974666
"1627963"	4109.868166	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Na-2H"	20.974666
"104492"	4105.874563	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M-H+Cl"	33.962126
"544051"	6150.321313	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M-H+Cl"	33.962126
"937565"	2061.427813	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-H+Cl"	33.962126
"275032"	8212.756402	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+Cl"	34.969402
"675107"	12301.649902	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+Cl"	34.969402
"1286060"	4123.862902	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Cl"	34.969402
"30068"	8214.735606	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M-2H+K"	36.948606
"469997"	12303.629106	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M-2H+K"	36.948606
"846831"	4125.842106	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-2H+K"	36.948606
"1570807"	4125.842106	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+K-2H"	36.948606
"958087"	4133.891694	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-H+HCOOH"	44.998194
"376297"	8222.785201	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+HCOOH-H"	44.998201
"361034"	8236.800851	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+Hac-H"	59.013851
"1508272"	4147.907351	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Hac-H"	59.013851
"973397"	4155.873651	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-H+NaCOOH"	66.980151
"123999"	4123.862902	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+2Cl"	69.938804
"556996"	6168.309652	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+2Cl"	69.938804
"1035276"	2079.416152	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2Cl"	69.938804
"1253029"	4167.812385	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Br"	78.918885
"1316220"	4169.868372	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Cl+HCOOH"	80.974872
"1335011"	4191.850329	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Cl+NaCOOH"	102.956829
"926799"	4201.879086	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M-H+CF3COOH"	112.985586
"1302214"	4237.855764	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Cl+CF3COOH"	148.962264
"1382076"	4053.880824	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H-2H2O"	-35.012676
"1392033"	4071.8908	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H-H2O"	-17.0027
"296829"	8178.794276	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+H"	1.007276
"691312"	12267.687776	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+H"	1.007276
"1361950"	4089.900776	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H"	1.007276
"138850"	4089.900776	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+2H"	2.014552
"571847"	6134.347526	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+2H"	2.014552
"1051948"	2045.454026	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2H"	2.014552
"217663"	2726.936276	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+3H"	3.021828
"659174"	4089.900776	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+3H"	3.021828
"1177905"	1363.971776	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+3H"	3.021828
"439715"	8195.820823	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+NH4"	18.033823
"799252"	12284.714323	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+NH4"	18.033823
"1696197"	4106.927323	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+NH4"	18.033823
"338394"	4098.4140495	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+H+NH4"	19.041099
"736283"	6142.8607995	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+H+NH4"	19.041099
"1491564"	2053.9672995	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H+NH4"	19.041099
"407568"	8200.776218	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+Na"	22.989218
"766498"	12289.669718	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+Na"	22.989218
"1613503"	4111.882718	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Na"	22.989218
"327186"	4100.891747	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+H+Na"	23.996494
"717056"	6145.338497	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+H+Na"	23.996494
"1476357"	2056.444997	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H+Na"	23.996494
"1067779"	1371.29909	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2H+Na"	25.00377
"1269094"	4121.926986	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+CH3OH+H"	33.033486
"392531"	8216.750158	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+K"	38.963158
"751947"	12305.643658	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+K"	38.963158
"1551815"	4127.856658	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+K"	38.963158
"313728"	4108.878717	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+H+K"	39.970434
"703601"	6153.325467	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+H+K"	39.970434
"1459971"	2064.431967	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H+K"	39.970434
"244933"	8219.820826	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+ACN+H"	42.033826
"1222744"	4130.927326	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+ACN+H"	42.033826
"1207358"	2065.967301	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+ACN+2H"	43.041102
"202417"	8222.75816	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+2Na-H"	44.97116
"642708"	12311.65166	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+2Na-H"	44.97116
"1146338"	4133.86466	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2Na-H"	44.97116
"188171"	4111.882718	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+2Na"	45.978436
"627973"	6156.329468	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+2Na"	45.978436
"1130385"	2067.435968	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2Na"	45.978436
"1413179"	1378.626404	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H+2Na"	46.985712
"1445492"	4135.906246	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H+HCOOH"	47.012746
"234982"	4116.91574	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+3H2O+2H"	56.04448
"1523900"	4149.95829	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+IsoProp+H"	61.06479
"423101"	4119.869688	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+Na+K"	61.952376
"785631"	6164.316438	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+Na+K"	61.952376
"1681227"	2075.422938	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Na+K"	61.952376
"264754"	8241.802768	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+ACN+Na"	64.015768
"1240016"	4152.909268	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+ACN+Na"	64.015768
"1722340"	4152.932793	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+NH4+HCOOH"	64.039293
"1192069"	1385.953718	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+3Na"	68.967654
"1653215"	4157.888188	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Na+HCOOH"	68.994688
"160076"	8254.70604	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+2K-H"	76.91904
"600730"	12343.59954	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+2K-H"	76.91904
"1092897"	4165.81254	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2K-H"	76.91904
"155179"	4127.856658	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"2M+2K"	77.926316
"589272"	6172.303408	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"3M+2K"	77.926316
"1073783"	2083.409908	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2K"	77.926316
"1105900"	4167.827092	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2K+H"	78.933592
"1347753"	4167.914707	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+DMSO+H"	79.021207
"1016283"	4171.953876	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2ACN+H"	83.060376
"1531126"	4172.947508	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+IsoProp+Na+H"	84.054008
"995388"	2086.480576	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+2ACN+2H"	84.067652
"1589526"	4173.862128	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+K+HCOOH"	84.968628
"1417741"	4203.893638	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+H+CF3COOH"	115.000138
"1151309"	2106.993851	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+3ACN+2H"	125.094202
"1697704"	4220.920185	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+NH4+CF3COOH"	132.026685
"1637608"	4225.87558	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+Na+CF3COOH"	136.98208
"1574354"	4241.84952	"C20066"	"Slotoxin"	"C177H281N47O50S7"	"4088.8935"	"M+K+CF3COOH"	152.95602
"811282"	4292.8676	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M"	0
"977162"	4273.84921	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-H2O-H"	-19.01839
"64310"	2860.90445733333	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M-3H"	-3.021828
"506057"	4291.860324	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M-3H"	-3.021828
"881672"	1429.94859066667	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-3H"	-3.021828
"4621"	4291.860324	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M-2H"	-2.014552
"444182"	6438.294124	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M-2H"	-2.014552
"823080"	2145.426524	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-2H"	-2.014552
"90730"	8584.727924	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M-H"	-1.007276
"531994"	12877.595524	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M-H"	-1.007276
"909313"	4291.860324	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-H"	-1.007276
"61024"	8601.754471	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M-2H+NH4"	16.019271
"501790"	12894.622071	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M-2H+NH4"	16.019271
"878257"	4308.886871	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-2H+NH4"	16.019271
"45189"	8606.709866	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M-2H+Na"	20.974666
"485479"	12899.577466	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M-2H+Na"	20.974666
"861819"	4313.842266	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-2H+Na"	20.974666
"1631353"	4313.842266	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Na-2H"	20.974666
"105694"	4309.848663	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M-H+Cl"	33.962126
"544162"	6456.282463	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M-H+Cl"	33.962126
"941326"	2163.414863	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-H+Cl"	33.962126
"281339"	8620.704602	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+Cl"	34.969402
"674733"	12913.572202	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+Cl"	34.969402
"1286528"	4327.837002	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Cl"	34.969402
"26898"	8622.683806	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M-2H+K"	36.948606
"469742"	12915.551406	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M-2H+K"	36.948606
"846450"	4329.816206	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-2H+K"	36.948606
"1569458"	4329.816206	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+K-2H"	36.948606
"957220"	4337.865794	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-H+HCOOH"	44.998194
"373128"	8630.733401	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+HCOOH-H"	44.998201
"358830"	8644.749051	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+Hac-H"	59.013851
"1504383"	4351.881451	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Hac-H"	59.013851
"970831"	4359.847751	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-H+NaCOOH"	66.980151
"121562"	4327.837002	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+2Cl"	69.938804
"563309"	6474.270802	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+2Cl"	69.938804
"1033566"	2181.403202	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2Cl"	69.938804
"1253145"	4371.786485	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Br"	78.918885
"1313406"	4373.842472	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Cl+HCOOH"	80.974872
"1334676"	4395.824429	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Cl+NaCOOH"	102.956829
"924148"	4405.853186	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M-H+CF3COOH"	112.985586
"1301223"	4441.829864	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Cl+CF3COOH"	148.962264
"1381573"	4257.854924	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H-2H2O"	-35.012676
"1393235"	4275.8649	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H-H2O"	-17.0027
"297906"	8586.742476	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+H"	1.007276
"690085"	12879.610076	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+H"	1.007276
"1361692"	4293.874876	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H"	1.007276
"137499"	4293.874876	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+2H"	2.014552
"576328"	6440.308676	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+2H"	2.014552
"1045129"	2147.441076	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2H"	2.014552
"219230"	2862.91900933333	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+3H"	3.021828
"654778"	4293.874876	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+3H"	3.021828
"1170714"	1431.96314266667	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+3H"	3.021828
"433987"	8603.769023	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+NH4"	18.033823
"793891"	12896.636623	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+NH4"	18.033823
"1691316"	4310.901423	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+NH4"	18.033823
"342878"	4302.3881495	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+H+NH4"	19.041099
"736394"	6448.8219495	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+H+NH4"	19.041099
"1492243"	2155.9543495	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H+NH4"	19.041099
"407808"	8608.724418	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+Na"	22.989218
"766245"	12901.592018	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+Na"	22.989218
"1614710"	4315.856818	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Na"	22.989218
"327918"	4304.865847	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+H+Na"	23.996494
"721192"	6451.299647	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+H+Na"	23.996494
"1475741"	2158.432047	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H+Na"	23.996494
"1067167"	1439.29045666667	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2H+Na"	25.00377
"1272003"	4325.901086	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+CH3OH+H"	33.033486
"392278"	8624.698358	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+K"	38.963158
"753030"	12917.565958	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+K"	38.963158
"1553750"	4331.830758	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+K"	38.963158
"312383"	4312.852817	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+H+K"	39.970434
"706631"	6459.286617	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+H+K"	39.970434
"1460691"	2166.419017	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H+K"	39.970434
"250873"	8627.769026	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+ACN+H"	42.033826
"1223587"	4334.901426	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+ACN+H"	42.033826
"1208565"	2167.954351	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+ACN+2H"	43.041102
"202652"	8630.70636	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+2Na-H"	44.97116
"644222"	12923.57396	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+2Na-H"	44.97116
"1146932"	4337.83876	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2Na-H"	44.97116
"188414"	4315.856818	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+2Na"	45.978436
"628518"	6462.290618	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+2Na"	45.978436
"1131320"	2169.423018	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2Na"	45.978436
"1414158"	1446.61777066667	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H+2Na"	46.985712
"1445036"	4339.880346	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H+HCOOH"	47.012746
"235463"	4320.88984	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+3H2O+2H"	56.04448
"1524070"	4353.93239	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+IsoProp+H"	61.06479
"423574"	4323.843788	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+Na+K"	61.952376
"785179"	6470.277588	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+Na+K"	61.952376
"1679809"	2177.409988	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Na+K"	61.952376
"265960"	8649.750968	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+ACN+Na"	64.015768
"1240981"	4356.883368	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+ACN+Na"	64.015768
"1727918"	4356.906893	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+NH4+HCOOH"	64.039293
"1194008"	1453.94508466667	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+3Na"	68.967654
"1657698"	4361.862288	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Na+HCOOH"	68.994688
"165652"	8662.65424	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+2K-H"	76.91904
"601933"	12955.52184	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+2K-H"	76.91904
"1090820"	4369.78664	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2K-H"	76.91904
"155168"	4331.830758	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"2M+2K"	77.926316
"592661"	6478.264558	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"3M+2K"	77.926316
"1080454"	2185.396958	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2K"	77.926316
"1107102"	4371.801192	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2K+H"	78.933592
"1344580"	4371.888807	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+DMSO+H"	79.021207
"1008373"	4375.927976	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2ACN+H"	83.060376
"1539385"	4376.921608	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+IsoProp+Na+H"	84.054008
"1002063"	2188.467626	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+2ACN+2H"	84.067652
"1598755"	4377.836228	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+K+HCOOH"	84.968628
"1415667"	4407.867738	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+H+CF3COOH"	115.000138
"1151419"	2208.980901	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+3ACN+2H"	125.094202
"1698056"	4424.894285	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+NH4+CF3COOH"	132.026685
"1635532"	4429.84968	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+Na+CF3COOH"	136.98208
"1584307"	4445.82362	"C20069"	"Charybdotoxin"	"C176H277N57O55S7"	"4292.8676"	"M+K+CF3COOH"	152.95602
"814672"	633.2857	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M"	0
"976179"	614.26731	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-H2O-H"	-19.01839
"63932"	421.183190666667	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M-3H"	-3.021828
"504466"	632.278424	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M-3H"	-3.021828
"881783"	210.087957333333	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-3H"	-3.021828
"1451"	632.278424	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M-2H"	-2.014552
"442227"	948.921274	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M-2H"	-2.014552
"822096"	315.635574	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-2H"	-2.014552
"89745"	1265.564124	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M-H"	-1.007276
"532837"	1898.849824	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M-H"	-1.007276
"909903"	632.278424	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-H"	-1.007276
"60761"	1282.590671	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M-2H+NH4"	16.019271
"501047"	1915.876371	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M-2H+NH4"	16.019271
"877879"	649.304971	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-2H+NH4"	16.019271
"44085"	1287.546066	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M-2H+Na"	20.974666
"483034"	1920.831766	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M-2H+Na"	20.974666
"857554"	654.260366	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-2H+Na"	20.974666
"1630367"	654.260366	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Na-2H"	20.974666
"103616"	650.266763	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M-H+Cl"	33.962126
"542083"	966.909613	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M-H+Cl"	33.962126
"934505"	333.623913	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-H+Cl"	33.962126
"278531"	1301.540802	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+Cl"	34.969402
"668766"	1934.826502	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+Cl"	34.969402
"1273068"	668.255102	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Cl"	34.969402
"16352"	1303.520006	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M-2H+K"	36.948606
"466569"	1936.805706	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M-2H+K"	36.948606
"844008"	670.234306	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-2H+K"	36.948606
"1567496"	670.234306	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+K-2H"	36.948606
"951370"	678.283894	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-H+HCOOH"	44.998194
"372866"	1311.569601	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+HCOOH-H"	44.998201
"351646"	1325.585251	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+Hac-H"	59.013851
"1505221"	692.299551	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Hac-H"	59.013851
"968752"	700.265851	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-H+NaCOOH"	66.980151
"119846"	668.255102	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+2Cl"	69.938804
"560502"	984.897952	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+2Cl"	69.938804
"1029302"	351.612252	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2Cl"	69.938804
"1252162"	712.204585	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Br"	78.918885
"1312422"	714.260572	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Cl+HCOOH"	80.974872
"1334786"	736.242529	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Cl+NaCOOH"	102.956829
"923166"	746.271286	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M-H+CF3COOH"	112.985586
"1301697"	782.247964	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Cl+CF3COOH"	148.962264
"1382455"	598.273024	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H-2H2O"	-35.012676
"1395533"	616.283	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H-H2O"	-17.0027
"295221"	1267.578676	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+H"	1.007276
"690195"	1900.864376	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+H"	1.007276
"1359615"	634.292976	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H"	1.007276
"135420"	634.292976	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+2H"	2.014552
"577167"	950.935826	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+2H"	2.014552
"1045239"	317.650126	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2H"	2.014552
"218975"	423.197742666667	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+3H"	3.021828
"654888"	634.292976	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+3H"	3.021828
"1170824"	212.102509333333	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+3H"	3.021828
"437377"	1284.605223	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+NH4"	18.033823
"797280"	1917.890923	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+NH4"	18.033823
"1694709"	651.319523	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+NH4"	18.033823
"344082"	642.8062495	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+H+NH4"	19.041099
"736868"	959.4490995	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+H+NH4"	19.041099
"1492150"	326.1633995	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H+NH4"	19.041099
"406822"	1289.560618	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+Na"	22.989218
"768545"	1922.846318	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+Na"	22.989218
"1615547"	656.274918	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Na"	22.989218
"328394"	645.283947	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+H+Na"	23.996494
"720205"	961.926797	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+H+Na"	23.996494
"1475485"	328.641097	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H+Na"	23.996494
"1066790"	219.429823333333	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2H+Na"	25.00377
"1271139"	666.319186	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+CH3OH+H"	33.033486
"391532"	1305.534558	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+K"	38.963158
"752894"	1938.820258	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+K"	38.963158
"1553491"	672.248858	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+K"	38.963158
"310303"	653.270917	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+H+K"	39.970434
"705645"	969.913767	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+H+K"	39.970434
"1459462"	336.628067	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H+K"	39.970434
"249527"	1308.605226	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+ACN+H"	42.033826
"1223698"	675.319526	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+ACN+H"	42.033826
"1207581"	338.163401	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+ACN+2H"	43.041102
"202761"	1311.54256	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+2Na-H"	44.97116
"643661"	1944.82826	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+2Na-H"	44.97116
"1146872"	678.25686	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2Na-H"	44.97116
"188354"	656.274918	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+2Na"	45.978436
"628073"	972.917768	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+2Na"	45.978436
"1131054"	339.632068	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2Na"	45.978436
"1413763"	226.757137333333	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H+2Na"	46.985712
"1445354"	680.298446	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H+HCOOH"	47.012746
"235085"	661.30794	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+3H2O+2H"	56.04448
"1523803"	694.35049	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+IsoProp+H"	61.06479
"424133"	664.261888	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+Na+K"	61.952376
"784557"	980.904738	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+Na+K"	61.952376
"1680526"	347.619038	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Na+K"	61.952376
"265341"	1330.587168	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+ACN+Na"	64.015768
"1238780"	697.301468	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+ACN+Na"	64.015768
"1727543"	697.324993	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+NH4+HCOOH"	64.039293
"1193511"	234.084451333333	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+3Na"	68.967654
"1657808"	702.280388	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Na+HCOOH"	68.994688
"169042"	1343.49044	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+2K-H"	76.91904
"603137"	1976.77614	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+2K-H"	76.91904
"1097369"	710.20474	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2K-H"	76.91904
"155278"	672.248858	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"2M+2K"	77.926316
"594716"	988.891708	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"3M+2K"	77.926316
"1079471"	355.606008	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2K"	77.926316
"1106119"	712.219292	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2K+H"	78.933592
"1344690"	712.306907	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+DMSO+H"	79.021207
"1008848"	716.346076	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2ACN+H"	83.060376
"1537913"	717.339708	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+IsoProp+Na+H"	84.054008
"993425"	358.676676	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+2ACN+2H"	84.067652
"1598865"	718.254328	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+K+HCOOH"	84.968628
"1421243"	748.285838	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+H+CF3COOH"	115.000138
"1152623"	379.189951	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+3ACN+2H"	125.094202
"1699259"	765.312385	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+NH4+CF3COOH"	132.026685
"1635642"	770.26778	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+Na+CF3COOH"	136.98208
"1574576"	786.24172	"C20070"	"Penitrem A"	"C37H44ClNO6"	"633.2857"	"M+K+CF3COOH"	152.95602
"808222"	318.0892	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M"	0
"975924"	299.07081	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-H2O-H"	-19.01839
"63434"	211.052190666667	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M-3H"	-3.021828
"504455"	317.081924	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M-3H"	-3.021828
"881892"	105.022457333333	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-3H"	-3.021828
"1925"	317.081924	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M-2H"	-2.014552
"443309"	476.126524	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M-2H"	-2.014552
"822206"	158.037324	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-2H"	-2.014552
"88762"	635.171124	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M-H"	-1.007276
"533960"	953.260324	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M-H"	-1.007276
"909283"	317.081924	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-H"	-1.007276
"62207"	652.197671	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M-2H+NH4"	16.019271
"501764"	970.286871	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M-2H+NH4"	16.019271
"878961"	334.108471	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-2H+NH4"	16.019271
"44924"	657.153066	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M-2H+Na"	20.974666
"483144"	975.242266	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M-2H+Na"	20.974666
"857664"	339.063866	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-2H+Na"	20.974666
"1627197"	339.063866	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Na-2H"	20.974666
"104819"	335.070263	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M-H+Cl"	33.962126
"541100"	494.114863	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M-H+Cl"	33.962126
"934615"	176.025663	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-H+Cl"	33.962126
"272080"	671.147802	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+Cl"	34.969402
"668876"	989.237002	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+Cl"	34.969402
"1273625"	353.058602	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Cl"	34.969402
"16541"	673.127006	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M-2H+K"	36.948606
"466679"	991.216206	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M-2H+K"	36.948606
"844482"	355.037806	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-2H+K"	36.948606
"1570157"	355.037806	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+K-2H"	36.948606
"952574"	363.087394	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-H+HCOOH"	44.998194
"369696"	681.176601	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+HCOOH-H"	44.998201
"350662"	695.192251	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+Hac-H"	59.013851
"1504237"	377.103051	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Hac-H"	59.013851
"967766"	385.069351	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-H+NaCOOH"	66.980151
"119955"	353.058602	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+2Cl"	69.938804
"557327"	512.103202	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+2Cl"	69.938804
"1030507"	194.014002	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2Cl"	69.938804
"1251178"	397.008085	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Br"	78.918885
"1313625"	399.064072	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Cl+HCOOH"	80.974872
"1334045"	421.046029	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Cl+NaCOOH"	102.956829
"921088"	431.074786	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M-H+CF3COOH"	112.985586
"1302537"	467.051464	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Cl+CF3COOH"	148.962264
"1382364"	283.076524	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H-2H2O"	-35.012676
"1395643"	301.0865	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H-H2O"	-17.0027
"295331"	637.185676	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+H"	1.007276
"689940"	955.274876	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+H"	1.007276
"1361184"	319.096476	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H"	1.007276
"133344"	319.096476	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+2H"	2.014552
"574726"	478.141076	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+2H"	2.014552
"1042069"	160.051876	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2H"	2.014552
"212156"	213.066742666667	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+3H"	3.021828
"650623"	319.096476	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+3H"	3.021828
"1170933"	107.037009333333	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+3H"	3.021828
"427646"	654.212223	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+NH4"	18.033823
"791921"	972.301423	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+NH4"	18.033823
"1692629"	336.123023	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+NH4"	18.033823
"341273"	327.6097495	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+H+NH4"	19.041099
"736247"	486.6543495	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+H+NH4"	19.041099
"1488246"	168.5651495	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H+NH4"	19.041099
"408021"	659.167618	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+Na"	22.989218
"768653"	977.256818	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+Na"	22.989218
"1614927"	341.078418	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Na"	22.989218
"329721"	330.087447	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+H+Na"	23.996494
"721170"	489.132047	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+H+Na"	23.996494
"1476729"	171.042847	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H+Na"	23.996494
"1067142"	114.364323333333	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2H+Na"	25.00377
"1272505"	351.122686	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+CH3OH+H"	33.033486
"392496"	675.141558	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+K"	38.963158
"752641"	993.230758	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+K"	38.963158
"1553966"	357.052358	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+K"	38.963158
"310413"	338.074417	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+H+K"	39.970434
"705752"	497.119017	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+H+K"	39.970434
"1458842"	179.029817	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H+K"	39.970434
"250003"	678.212226	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+ACN+H"	42.033826
"1223689"	360.123026	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+ACN+H"	42.033826
"1208665"	180.565151	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+ACN+2H"	43.041102
"203720"	681.14956	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+2Na-H"	44.97116
"643772"	999.23876	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+2Na-H"	44.97116
"1146809"	363.06036	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2Na-H"	44.97116
"188379"	341.078418	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+2Na"	45.978436
"628149"	500.123018	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+2Na"	45.978436
"1130598"	182.033818	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2Na"	45.978436
"1413799"	121.691637333333	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H+2Na"	46.985712
"1445545"	365.101946	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H+HCOOH"	47.012746
"235479"	346.11144	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+3H2O+2H"	56.04448
"1523752"	379.15399	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+IsoProp+H"	61.06479
"423429"	349.065388	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+Na+K"	61.952376
"782965"	508.109988	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+Na+K"	61.952376
"1679661"	190.020788	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Na+K"	61.952376
"266423"	700.194168	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+ACN+Na"	64.015768
"1237065"	382.104968	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+ACN+Na"	64.015768
"1727411"	382.128493	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+NH4+HCOOH"	64.039293
"1193576"	129.018951333333	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+3Na"	68.967654
"1661198"	387.083888	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Na+HCOOH"	68.994688
"169152"	713.09744	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+2K-H"	76.91904
"606527"	1031.18664	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+2K-H"	76.91904
"1097600"	395.00824	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2K-H"	76.91904
"155388"	357.052358	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"2M+2K"	77.926316
"595068"	516.096958	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"3M+2K"	77.926316
"1079581"	198.007758	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2K"	77.926316
"1108416"	397.022792	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2K+H"	78.933592
"1343707"	397.110407	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+DMSO+H"	79.021207
"1008958"	401.149576	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2ACN+H"	83.060376
"1538632"	402.143208	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+IsoProp+Na+H"	84.054008
"993170"	201.078426	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+2ACN+2H"	84.067652
"1598975"	403.057828	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+K+HCOOH"	84.968628
"1419166"	433.089338	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+H+CF3COOH"	115.000138
"1153826"	221.591701	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+3ACN+2H"	125.094202
"1700098"	450.115885	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+NH4+CF3COOH"	132.026685
"1636845"	455.07128	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+Na+CF3COOH"	136.98208
"1574686"	471.04522	"C20073"	"Xestoquinone;()-Xestoquinone;XQN"	"C20H14O4"	"318.0892"	"M+K+CF3COOH"	152.95602
"813804"	334.1376	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M"	0
"985153"	315.11921	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-H2O-H"	-19.01839
"73394"	221.751124	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M-3H"	-3.021828
"514049"	333.130324	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M-3H"	-3.021828
"887477"	110.371924	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-3H"	-3.021828
"11159"	333.130324	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M-2H"	-2.014552
"455569"	500.199124	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M-2H"	-2.014552
"827793"	166.061524	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-2H"	-2.014552
"92165"	667.267924	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M-H"	-1.007276
"531726"	1001.405524	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M-H"	-1.007276
"910136"	333.130324	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-H"	-1.007276
"57336"	684.294471	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M-2H+NH4"	16.019271
"497991"	1018.432071	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M-2H+NH4"	16.019271
"877253"	350.156871	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-2H+NH4"	16.019271
"40414"	689.249866	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M-2H+Na"	20.974666
"474506"	1023.387466	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M-2H+Na"	20.974666
"850120"	355.112266	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-2H+Na"	20.974666
"1630591"	355.112266	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Na-2H"	20.974666
"98372"	351.118663	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M-H+Cl"	33.962126
"535866"	518.187463	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M-H+Cl"	33.962126
"928280"	184.049863	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-H+Cl"	33.962126
"269032"	703.244602	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+Cl"	34.969402
"665706"	1037.382202	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+Cl"	34.969402
"1275921"	369.107002	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Cl"	34.969402
"16778"	705.223806	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M-2H+K"	36.948606
"463506"	1039.361406	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M-2H+K"	36.948606
"840216"	371.086206	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-2H+K"	36.948606
"1568079"	371.086206	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+K-2H"	36.948606
"953778"	379.135794	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-H+HCOOH"	44.998194
"367618"	713.273401	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+HCOOH-H"	44.998201
"352960"	727.289051	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+Hac-H"	59.013851
"1498510"	393.151451	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Hac-H"	59.013851
"964594"	401.117751	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-H+NaCOOH"	66.980151
"114234"	369.107002	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+2Cl"	69.938804
"556347"	536.175802	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+2Cl"	69.938804
"1035847"	202.038202	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2Cl"	69.938804
"1250204"	413.056485	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Br"	78.918885
"1317026"	415.112472	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Cl+HCOOH"	80.974872
"1330146"	437.094429	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Cl+NaCOOH"	102.956829
"923391"	447.123186	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M-H+CF3COOH"	112.985586
"1296817"	483.099864	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Cl+CF3COOH"	148.962264
"1378624"	299.124924	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H-2H2O"	-35.012676
"1395760"	317.1349	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H-H2O"	-17.0027
"297634"	669.282476	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+H"	1.007276
"690053"	1003.420076	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+H"	1.007276
"1366036"	335.144876	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H"	1.007276
"140872"	335.144876	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+2H"	2.014552
"578486"	502.213676	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+2H"	2.014552
"1049840"	168.076076	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2H"	2.014552
"219566"	223.765676	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+3H"	3.021828
"659615"	335.144876	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+3H"	3.021828
"1174332"	112.386476	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+3H"	3.021828
"437607"	686.309023	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+NH4"	18.033823
"797510"	1020.446623	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+NH4"	18.033823
"1689463"	352.171423	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+NH4"	18.033823
"341023"	343.6581495	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+H+NH4"	19.041099
"736738"	510.7269495	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+H+NH4"	19.041099
"1490562"	176.5893495	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H+NH4"	19.041099
"404865"	691.264418	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+Na"	22.989218
"768047"	1025.402018	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+Na"	22.989218
"1615782"	357.126818	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Na"	22.989218
"321807"	346.135847	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+H+Na"	23.996494
"714232"	513.204647	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+H+Na"	23.996494
"1466960"	179.067047	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H+Na"	23.996494
"1060204"	119.71379	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2H+Na"	25.00377
"1266257"	367.171086	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+CH3OH+H"	33.033486
"392125"	707.238358	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+K"	38.963158
"753119"	1041.375958	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+K"	38.963158
"1553714"	373.100758	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+K"	38.963158
"313445"	354.122817	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+H+K"	39.970434
"705136"	521.191617	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+H+K"	39.970434
"1460052"	187.054017	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H+K"	39.970434
"250602"	710.309026	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+ACN+H"	42.033826
"1224650"	376.171426	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+ACN+H"	42.033826
"1209545"	188.589351	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+ACN+2H"	43.041102
"203347"	713.24636	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+2Na-H"	44.97116
"643880"	1047.38396	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+2Na-H"	44.97116
"1146414"	379.10876	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2Na-H"	44.97116
"188453"	357.126818	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+2Na"	45.978436
"628169"	524.195618	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+2Na"	45.978436
"1128636"	190.058018	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2Na"	45.978436
"1412526"	127.041104	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H+2Na"	46.985712
"1444275"	381.150346	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H+HCOOH"	47.012746
"233971"	362.15984	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+3H2O+2H"	56.04448
"1523252"	395.20239	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+IsoProp+H"	61.06479
"424153"	365.113788	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+Na+K"	61.952376
"785354"	532.182588	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+Na+K"	61.952376
"1680511"	198.044988	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Na+K"	61.952376
"265443"	732.290968	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+ACN+Na"	64.015768
"1240950"	398.153368	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+ACN+Na"	64.015768
"1726064"	398.176893	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+NH4+HCOOH"	64.039293
"1193240"	134.368418	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+3Na"	68.967654
"1661309"	403.132288	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Na+HCOOH"	68.994688
"168173"	745.19424	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+2K-H"	76.91904
"607732"	1079.33184	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+2K-H"	76.91904
"1091149"	411.05664	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2K-H"	76.91904
"154530"	373.100758	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"2M+2K"	77.926316
"596285"	540.169558	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"3M+2K"	77.926316
"1081899"	206.031958	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2K"	77.926316
"1113892"	413.071192	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2K+H"	78.933592
"1350152"	413.158807	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+DMSO+H"	79.021207
"1018918"	417.197976	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2ACN+H"	83.060376
"1533764"	418.191608	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+IsoProp+Na+H"	84.054008
"1003493"	209.102626	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+2ACN+2H"	84.067652
"1600184"	419.106228	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+K+HCOOH"	84.968628
"1429495"	449.137738	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+H+CF3COOH"	115.000138
"1160512"	229.615901	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+3ACN+2H"	125.094202
"1712248"	466.164285	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+NH4+CF3COOH"	132.026685
"1645711"	471.11968	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+Na+CF3COOH"	136.98208
"1578081"	487.09362	"C20082"	"Pseudaminic acid;57-Bis(acetylamino)-3579-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid"	"C13H22N2O8"	"334.1376"	"M+K+CF3COOH"	152.95602
"815007"	639.1789	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M"	0
"981979"	620.16051	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-H2O-H"	-19.01839
"72411"	425.111990666667	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M-3H"	-3.021828
"515252"	638.171624	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M-3H"	-3.021828
"888680"	212.052357333333	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-3H"	-3.021828
"13091"	638.171624	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M-2H"	-2.014552
"455654"	957.761074	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M-2H"	-2.014552
"829725"	318.582174	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-2H"	-2.014552
"91541"	1277.350524	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M-H"	-1.007276
"531713"	1916.529424	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M-H"	-1.007276
"908908"	638.171624	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-H"	-1.007276
"56353"	1294.377071	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M-2H+NH4"	16.019271
"497737"	1933.555971	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M-2H+NH4"	16.019271
"878458"	655.198171	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-2H+NH4"	16.019271
"37244"	1299.332466	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M-2H+Na"	20.974666
"473522"	1938.511366	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M-2H+Na"	20.974666
"848576"	660.153566	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-2H+Na"	20.974666
"1627421"	660.153566	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Na-2H"	20.974666
"97389"	656.159963	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M-H+Cl"	33.962126
"535976"	975.749413	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M-H+Cl"	33.962126
"927256"	336.570513	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-H+Cl"	33.962126
"269021"	1313.327202	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+Cl"	34.969402
"662536"	1952.506102	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+Cl"	34.969402
"1276031"	674.148302	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Cl"	34.969402
"16766"	1315.306406	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M-2H+K"	36.948606
"463616"	1954.485306	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M-2H+K"	36.948606
"840326"	676.127506	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-2H+K"	36.948606
"1567096"	676.127506	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+K-2H"	36.948606
"951700"	684.177094	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-H+HCOOH"	44.998194
"368820"	1323.356001	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+HCOOH-H"	44.998201
"351974"	1337.371651	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+Hac-H"	59.013851
"1501536"	698.192751	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Hac-H"	59.013851
"965068"	706.159051	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-H+NaCOOH"	66.980151
"113980"	674.148302	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+2Cl"	69.938804
"556458"	993.737752	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+2Cl"	69.938804
"1030728"	354.558852	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2Cl"	69.938804
"1253595"	718.097785	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Br"	78.918885
"1315679"	720.153772	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Cl+HCOOH"	80.974872
"1331715"	742.135729	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Cl+NaCOOH"	102.956829
"921316"	752.164486	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M-H+CF3COOH"	112.985586
"1296927"	788.141164	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Cl+CF3COOH"	148.962264
"1372901"	604.166224	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H-2H2O"	-35.012676
"1393682"	622.1762	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H-H2O"	-17.0027
"295555"	1279.365076	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+H"	1.007276
"686517"	1918.543976	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+H"	1.007276
"1365418"	640.186176	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H"	1.007276
"134297"	640.186176	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+2H"	2.014552
"572399"	959.775626	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+2H"	2.014552
"1048856"	320.596726	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2H"	2.014552
"215664"	427.126542666667	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+3H"	3.021828
"658507"	640.186176	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+3H"	3.021828
"1174078"	214.066909333333	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+3H"	3.021828
"436260"	1296.391623	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+NH4"	18.033823
"799442"	1935.570523	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+NH4"	18.033823
"1689573"	657.212723	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+NH4"	18.033823
"341133"	648.6994495	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+H+NH4"	19.041099
"737945"	968.2888995	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+H+NH4"	19.041099
"1492130"	329.1099995	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H+NH4"	19.041099
"407163"	1301.347018	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+Na"	22.989218
"768523"	1940.525918	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+Na"	22.989218
"1617351"	662.168118	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Na"	22.989218
"323012"	651.177147	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+H+Na"	23.996494
"715436"	970.766597	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+H+Na"	23.996494
"1465979"	331.587697	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H+Na"	23.996494
"1060317"	221.394223333333	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2H+Na"	25.00377
"1266368"	672.212386	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+CH3OH+H"	33.033486
"391872"	1317.320958	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+K"	38.963158
"751771"	1956.499858	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+K"	38.963158
"1554189"	678.142058	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+K"	38.963158
"313191"	659.164117	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+H+K"	39.970434
"706587"	978.753567	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+H+K"	39.970434
"1460163"	339.574667	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H+K"	39.970434
"251079"	1320.391626	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+ACN+H"	42.033826
"1225489"	681.212726	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+ACN+H"	42.033826
"1209576"	341.110001	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+ACN+2H"	43.041102
"203459"	1323.32896	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+2Na-H"	44.97116
"644229"	1962.50786	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+2Na-H"	44.97116
"1146730"	684.15006	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2Na-H"	44.97116
"187014"	662.168118	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+2Na"	45.978436
"628380"	981.757568	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+2Na"	45.978436
"1130933"	342.578668	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2Na"	45.978436
"1413738"	228.721537333333	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H+2Na"	46.985712
"1445120"	686.191646	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H+HCOOH"	47.012746
"235179"	667.20114	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+3H2O+2H"	56.04448
"1523238"	700.24369	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+IsoProp+H"	61.06479
"424017"	670.155088	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+Na+K"	61.952376
"784895"	989.744538	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+Na+K"	61.952376
"1681111"	350.565638	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Na+K"	61.952376
"265553"	1342.373568	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+ACN+Na"	64.015768
"1241261"	703.194668	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+ACN+Na"	64.015768
"1725809"	703.218193	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+NH4+HCOOH"	64.039293
"1193229"	236.048851333333	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+3Na"	68.967654
"1661419"	708.173588	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Na+HCOOH"	68.994688
"169376"	1355.27684	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+2K-H"	76.91904
"608935"	1994.45574	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+2K-H"	76.91904
"1091259"	716.09794	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2K-H"	76.91904
"154640"	678.142058	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"2M+2K"	77.926316
"595178"	997.731508	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"3M+2K"	77.926316
"1083100"	358.552608	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2K"	77.926316
"1114850"	718.112492	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2K+H"	78.933592
"1350504"	718.200107	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+DMSO+H"	79.021207
"1017935"	722.239276	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2ACN+H"	83.060376
"1533874"	723.232908	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+IsoProp+Na+H"	84.054008
"1003603"	361.623276	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+2ACN+2H"	84.067652
"1599201"	724.147528	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+K+HCOOH"	84.968628
"1429775"	754.179038	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+H+CF3COOH"	115.000138
"1162448"	382.136551	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+3ACN+2H"	125.094202
"1712359"	771.205585	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+NH4+CF3COOH"	132.026685
"1645821"	776.16098	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+Na+CF3COOH"	136.98208
"1578191"	792.13492	"C20083"	"CMP-pseudaminic acid"	"C22H34N5O15P"	"639.1789"	"M+K+CF3COOH"	152.95602
"815117"	2068.9688	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M"	0
"982089"	2049.95041	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-H2O-H"	-19.01839
"70334"	1378.30525733333	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M-3H"	-3.021828
"512082"	2067.961524	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M-3H"	-3.021828
"887697"	688.648990666667	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-3H"	-3.021828
"10648"	2067.961524	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M-2H"	-2.014552
"452762"	3102.445924	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M-2H"	-2.014552
"826917"	1033.477124	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-2H"	-2.014552
"85817"	4136.930324	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M-H"	-1.007276
"531822"	6205.899124	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M-H"	-1.007276
"909382"	2067.961524	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-H"	-1.007276
"55370"	4153.956871	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M-2H+NH4"	16.019271
"496024"	6222.925671	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M-2H+NH4"	16.019271
"876746"	2084.988071	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-2H+NH4"	16.019271
"36260"	4158.912266	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M-2H+Na"	20.974666
"471532"	6227.881066	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M-2H+Na"	20.974666
"848556"	2089.943466	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-2H+Na"	20.974666
"1627531"	2089.943466	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Na-2H"	20.974666
"97499"	2085.949863	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M-H+Cl"	33.962126
"534304"	3120.434263	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M-H+Cl"	33.962126
"928745"	1051.465463	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-H+Cl"	33.962126
"269851"	4172.907002	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+Cl"	34.969402
"662646"	6241.875802	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+Cl"	34.969402
"1277234"	2103.938202	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Cl"	34.969402
"16634"	4174.886206	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M-2H+K"	36.948606
"460446"	6243.855006	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M-2H+K"	36.948606
"840436"	2105.917406	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-2H+K"	36.948606
"1565020"	2105.917406	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+K-2H"	36.948606
"950716"	2113.966994	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-H+HCOOH"	44.998194
"367837"	4182.935801	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+HCOOH-H"	44.998201
"350627"	4196.951451	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+Hac-H"	59.013851
"1501646"	2127.982651	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Hac-H"	59.013851
"962626"	2135.948951	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-H+NaCOOH"	66.980151
"111295"	2103.938202	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+2Cl"	69.938804
"556568"	3138.422602	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+2Cl"	69.938804
"1028651"	1069.453802	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2Cl"	69.938804
"1248235"	2147.887685	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Br"	78.918885
"1318703"	2149.943672	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Cl+HCOOH"	80.974872
"1328179"	2171.925629	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Cl+NaCOOH"	102.956829
"921424"	2181.954386	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M-H+CF3COOH"	112.985586
"1297037"	2217.931064	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Cl+CF3COOH"	148.962264
"1373011"	2033.956124	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H-2H2O"	-35.012676
"1389417"	2051.9661	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H-H2O"	-17.0027
"286915"	4138.944876	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+H"	1.007276
"683346"	6207.913676	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+H"	1.007276
"1359695"	2069.976076	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H"	1.007276
"128574"	2069.976076	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+2H"	2.014552
"568133"	3104.460476	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+2H"	2.014552
"1044589"	1035.491676	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2H"	2.014552
"215408"	1380.31980933333	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+3H"	3.021828
"658253"	2069.976076	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+3H"	3.021828
"1174188"	690.663542666667	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+3H"	3.021828
"437099"	4155.971423	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+NH4"	18.033823
"799551"	6224.940223	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+NH4"	18.033823
"1692964"	2087.002623	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+NH4"	18.033823
"336868"	2078.4893495	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+H+NH4"	19.041099
"736230"	3112.9737495	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+H+NH4"	19.041099
"1490418"	1044.0049495	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H+NH4"	19.041099
"406179"	4160.926818	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+Na"	22.989218
"767175"	6229.895618	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+Na"	22.989218
"1614180"	2091.958018	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Na"	22.989218
"319844"	2080.967047	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+H+Na"	23.996494
"712267"	3115.451447	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+H+Na"	23.996494
"1463902"	1046.482647	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H+Na"	23.996494
"1058241"	697.990856666667	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2H+Na"	25.00377
"1268665"	2102.002286	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+CH3OH+H"	33.033486
"392104"	4176.900758	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+K"	38.963158
"751881"	6245.869558	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+K"	38.963158
"1550287"	2107.931958	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+K"	38.963158
"314184"	2088.954017	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+H+K"	39.970434
"706821"	3123.438417	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+H+K"	39.970434
"1460274"	1054.469617	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H+K"	39.970434
"250821"	4179.971426	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+ACN+H"	42.033826
"1225532"	2111.002626	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+ACN+H"	42.033826
"1209692"	1056.004951	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+ACN+2H"	43.041102
"204180"	4182.90876	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+2Na-H"	44.97116
"644082"	6251.87756	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+2Na-H"	44.97116
"1146848"	2113.93996	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2Na-H"	44.97116
"187002"	2091.958018	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+2Na"	45.978436
"628314"	3126.442418	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+2Na"	45.978436
"1130805"	1057.473618	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2Na"	45.978436
"1414047"	705.318170666667	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H+2Na"	46.985712
"1445104"	2115.981546	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H+HCOOH"	47.012746
"234801"	2096.99104	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+3H2O+2H"	56.04448
"1523227"	2130.03359	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+IsoProp+H"	61.06479
"421940"	2099.944988	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+Na+K"	61.952376
"785004"	3134.429388	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+Na+K"	61.952376
"1680362"	1065.460588	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Na+K"	61.952376
"265784"	4201.953368	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+ACN+Na"	64.015768
"1239588"	2132.984568	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+ACN+Na"	64.015768
"1723004"	2133.008093	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+NH4+HCOOH"	64.039293
"1189452"	712.645484666667	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+3Na"	68.967654
"1661529"	2137.963488	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Na+HCOOH"	68.994688
"167300"	4214.85664	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+2K-H"	76.91904
"609045"	6283.82544	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+2K-H"	76.91904
"1091369"	2145.88784	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2K-H"	76.91904
"154751"	2107.931958	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"2M+2K"	77.926316
"594315"	3142.416358	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"3M+2K"	77.926316
"1082116"	1073.447558	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2K"	77.926316
"1112407"	2147.902392	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2K+H"	78.933592
"1349518"	2147.990007	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+DMSO+H"	79.021207
"1018045"	2152.029176	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2ACN+H"	83.060376
"1533984"	2153.022808	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+IsoProp+Na+H"	84.054008
"1002620"	1076.518226	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+2ACN+2H"	84.067652
"1597125"	2153.937428	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+K+HCOOH"	84.968628
"1429708"	2183.968938	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+H+CF3COOH"	115.000138
"1162603"	1097.031501	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+3ACN+2H"	125.094202
"1711374"	2200.995485	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+NH4+CF3COOH"	132.026685
"1644838"	2205.95088	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+Na+CF3COOH"	136.98208
"1578301"	2221.92482	"C20084"	"Contulakin G;Contulakin-G"	"C88H140N20O37"	"2068.9688"	"M+K+CF3COOH"	152.95602
"813044"	5413.2589	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M"	0
"985483"	5394.24051	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-H2O-H"	-19.01839
"77008"	3607.83199066667	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M-3H"	-3.021828
"515474"	5412.251624	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M-3H"	-3.021828
"893277"	1803.41235733333	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-3H"	-3.021828
"11852"	5412.251624	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M-2H"	-2.014552
"453241"	8118.881074	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M-2H"	-2.014552
"831536"	2705.622174	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-2H"	-2.014552
"93801"	10825.510524	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M-H"	-1.007276
"533154"	16238.769424	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M-H"	-1.007276
"909855"	5412.251624	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-H"	-1.007276
"59496"	10842.537071	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M-2H+NH4"	16.019271
"496140"	16255.795971	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M-2H+NH4"	16.019271
"878077"	5429.278171	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-2H+NH4"	16.019271
"44756"	10847.492466	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M-2H+Na"	20.974666
"484319"	16260.751366	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M-2H+Na"	20.974666
"853735"	5434.233566	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-2H+Na"	20.974666
"1621080"	5434.233566	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Na-2H"	20.974666
"95423"	5430.239963	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M-H+Cl"	33.962126
"538264"	8136.869413	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M-H+Cl"	33.962126
"933970"	2723.610513	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-H+Cl"	33.962126
"271430"	10861.487202	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+Cl"	34.969402
"666040"	16274.746102	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+Cl"	34.969402
"1276619"	5448.228302	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Cl"	34.969402
"23186"	10863.466406	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M-2H+K"	36.948606
"464938"	16276.725306	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M-2H+K"	36.948606
"838365"	5450.207506	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-2H+K"	36.948606
"1560029"	5450.207506	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+K-2H"	36.948606
"953011"	5458.257094	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-H+HCOOH"	44.998194
"365393"	10871.516001	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+HCOOH-H"	44.998201
"351828"	10885.531651	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+Hac-H"	59.013851
"1502856"	5472.272751	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Hac-H"	59.013851
"969311"	5480.239051	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-H+NaCOOH"	66.980151
"118584"	5448.228302	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+2Cl"	69.938804
"560331"	8154.857752	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+2Cl"	69.938804
"1029857"	2741.598852	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2Cl"	69.938804
"1253081"	5492.177785	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Br"	78.918885
"1316259"	5494.233772	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Cl+HCOOH"	80.974872
"1323914"	5516.215729	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Cl+NaCOOH"	102.956829
"919346"	5526.244486	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M-H+CF3COOH"	112.985586
"1294960"	5562.221164	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Cl+CF3COOH"	148.962264
"1374215"	5378.246224	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H-2H2O"	-35.012676
"1389525"	5396.2562	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H-H2O"	-17.0027
"285201"	10827.525076	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+H"	1.007276
"676529"	16240.783976	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+H"	1.007276
"1352025"	5414.266176	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H"	1.007276
"127590"	5414.266176	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+2H"	2.014552
"579791"	8120.895626	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+2H"	2.014552
"1051873"	2707.636726	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2H"	2.014552
"219849"	3609.84654266667	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+3H"	3.021828
"658727"	5414.266176	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+3H"	3.021828
"1175029"	1805.42690933333	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+3H"	3.021828
"438302"	10844.551623	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+NH4"	18.033823
"798950"	16257.810523	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+NH4"	18.033823
"1694183"	5431.292723	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+NH4"	18.033823
"341370"	5422.7794495	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+H+NH4"	19.041099
"735614"	8129.4088995	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+H+NH4"	19.041099
"1484328"	2716.1499995	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H+NH4"	19.041099
"396449"	10849.507018	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+Na"	22.989218
"756352"	16262.765918	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+Na"	22.989218
"1606638"	5436.248118	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Na"	22.989218
"318861"	5425.257147	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+H+Na"	23.996494
"708005"	8131.886597	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+H+Na"	23.996494
"1469479"	2718.627697	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H+Na"	23.996494
"1062724"	1812.75422333333	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2H+Na"	25.00377
"1265498"	5446.292386	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+CH3OH+H"	33.033486
"384072"	10865.480958	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+K"	38.963158
"746161"	16278.739858	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+K"	38.963158
"1551494"	5452.222058	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+K"	38.963158
"313046"	5433.244117	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+H+K"	39.970434
"707054"	8139.873567	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+H+K"	39.970434
"1460140"	2726.614667	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H+K"	39.970434
"251176"	10868.551626	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+ACN+H"	42.033826
"1225343"	5455.292726	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+ACN+H"	42.033826
"1208739"	2728.150001	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+ACN+2H"	43.041102
"204127"	10871.48896	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+2Na-H"	44.97116
"643723"	16284.74786	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+2Na-H"	44.97116
"1146708"	5458.23006	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2Na-H"	44.97116
"188217"	5436.248118	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+2Na"	45.978436
"627771"	8142.877568	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+2Na"	45.978436
"1131040"	2729.618668	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2Na"	45.978436
"1413712"	1820.08153733333	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H+2Na"	46.985712
"1444734"	5460.271646	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H+HCOOH"	47.012746
"235406"	5441.28114	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+3H2O+2H"	56.04448
"1523474"	5474.32369	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+IsoProp+H"	61.06479
"423880"	5444.235088	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+Na+K"	61.952376
"783046"	8150.864538	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+Na+K"	61.952376
"1679864"	2737.605638	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Na+K"	61.952376
"266588"	10890.533568	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+ACN+Na"	64.015768
"1240186"	5477.274668	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+ACN+Na"	64.015768
"1727251"	5477.298193	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+NH4+HCOOH"	64.039293
"1193207"	1827.40885133333	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+3Na"	68.967654
"1659453"	5482.253588	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Na+HCOOH"	68.994688
"170690"	10903.43684	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+2K-H"	76.91904
"611969"	16316.69574	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+2K-H"	76.91904
"1098663"	5490.17794	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2K-H"	76.91904
"155361"	5452.222058	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"2M+2K"	77.926316
"594795"	8158.851508	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"3M+2K"	77.926316
"1082218"	2745.592608	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2K"	77.926316
"1112517"	5492.192492	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2K+H"	78.933592
"1349141"	5492.280107	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+DMSO+H"	79.021207
"1015970"	5496.319276	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2ACN+H"	83.060376
"1537015"	5497.312908	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+IsoProp+Na+H"	84.054008
"1003707"	2748.663276	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+2ACN+2H"	84.067652
"1599429"	5498.227528	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+K+HCOOH"	84.968628
"1428978"	5528.259038	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+H+CF3COOH"	115.000138
"1162304"	2769.176551	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+3ACN+2H"	125.094202
"1712337"	5545.285585	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+NH4+CF3COOH"	132.026685
"1646042"	5550.24098	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+Na+CF3COOH"	136.98208
"1572946"	5566.21492	"C20088"	"Echistatin"	"C217H341N71O74S9"	"5413.2589"	"M+K+CF3COOH"	152.95602
"815344"	759.4994	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M"	0
"984503"	740.48101	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-H2O-H"	-19.01839
"78101"	505.325657333333	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M-3H"	-3.021828
"517659"	758.492124	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M-3H"	-3.021828
"894487"	252.159190666667	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-3H"	-3.021828
"15421"	758.492124	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M-2H"	-2.014552
"454570"	1138.241824	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M-2H"	-2.014552
"826054"	378.742424	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-2H"	-2.014552
"84951"	1517.991524	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M-H"	-1.007276
"524509"	2277.490924	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M-H"	-1.007276
"899396"	758.492124	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-H"	-1.007276
"57782"	1535.018071	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M-2H+NH4"	16.019271
"494063"	2294.517471	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M-2H+NH4"	16.019271
"869679"	775.518671	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-2H+NH4"	16.019271
"40859"	1539.973466	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M-2H+Na"	20.974666
"481515"	2299.472866	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M-2H+Na"	20.974666
"857130"	780.474066	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-2H+Na"	20.974666
"1632132"	780.474066	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Na-2H"	20.974666
"105380"	776.480463	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M-H+Cl"	33.962126
"548831"	1156.230163	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M-H+Cl"	33.962126
"941742"	396.730763	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-H+Cl"	33.962126
"280904"	1553.968202	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+Cl"	34.969402
"673809"	2313.467602	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+Cl"	34.969402
"1287186"	794.468802	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Cl"	34.969402
"29864"	1555.947406	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M-2H+K"	36.948606
"465048"	2315.446806	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M-2H+K"	36.948606
"841757"	796.448006	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-2H+K"	36.948606
"1564158"	796.448006	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+K-2H"	36.948606
"944021"	804.497594	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-H+HCOOH"	44.998194
"365883"	1563.997001	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+HCOOH-H"	44.998201
"349765"	1578.012651	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+Hac-H"	59.013851
"1496412"	818.513251	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Hac-H"	59.013851
"961034"	826.479551	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-H+NaCOOH"	66.980151
"112859"	794.468802	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+2Cl"	69.938804
"555698"	1174.218502	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+2Cl"	69.938804
"1028873"	414.719102	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2Cl"	69.938804
"1247359"	838.418285	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Br"	78.918885
"1309077"	840.474272	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Cl+HCOOH"	80.974872
"1320374"	862.456229	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Cl+NaCOOH"	102.956829
"912651"	872.484986	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M-H+CF3COOH"	112.985586
"1290334"	908.461664	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Cl+CF3COOH"	148.962264
"1369955"	724.486724	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H-2H2O"	-35.012676
"1386361"	742.4967	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H-H2O"	-17.0027
"297348"	1520.006076	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+H"	1.007276
"691221"	2279.505476	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+H"	1.007276
"1366779"	760.506676	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H"	1.007276
"141331"	760.506676	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+2H"	2.014552
"580038"	1140.256376	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+2H"	2.014552
"1052360"	380.756976	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2H"	2.014552
"211268"	507.340209333333	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+3H"	3.021828
"653382"	760.506676	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+3H"	3.021828
"1167860"	254.173742666667	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+3H"	3.021828
"431495"	1537.032623	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+NH4"	18.033823
"792491"	2296.532023	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+NH4"	18.033823
"1688093"	777.533223	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+NH4"	18.033823
"334551"	769.0199495	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+H+NH4"	19.041099
"727703"	1148.7696495	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+H+NH4"	19.041099
"1482251"	389.2702495	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H+NH4"	19.041099
"396559"	1541.988018	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+Na"	22.989218
"755368"	2301.487418	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+Na"	22.989218
"1606746"	782.488618	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Na"	22.989218
"317146"	771.497647	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+H+Na"	23.996494
"711390"	1151.247347	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+H+Na"	23.996494
"1464481"	391.747947	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H+Na"	23.996494
"1056274"	261.501056666667	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2H+Na"	25.00377
"1261232"	792.532886	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+CH3OH+H"	33.033486
"384179"	1557.961958	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+K"	38.963158
"742990"	2317.461358	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+K"	38.963158
"1551604"	798.462558	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+K"	38.963158
"311335"	779.484617	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+H+K"	39.970434
"706064"	1159.234317	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+H+K"	39.970434
"1460006"	399.734917	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H+K"	39.970434
"241437"	1561.032626	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+ACN+H"	42.033826
"1221436"	801.533226	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+ACN+H"	42.033826
"1200219"	401.270251	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+ACN+2H"	43.041102
"197464"	1563.96996	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+2Na-H"	44.97116
"634840"	2323.46936	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+2Na-H"	44.97116
"1136884"	804.47056	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2Na-H"	44.97116
"176894"	782.488618	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+2Na"	45.978436
"621923"	1162.238318	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+2Na"	45.978436
"1125429"	402.738918	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2Na"	45.978436
"1411868"	268.828370666667	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H+2Na"	46.985712
"1442528"	806.512146	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H+HCOOH"	47.012746
"232223"	787.52164	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+3H2O+2H"	56.04448
"1521380"	820.56419	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+IsoProp+H"	61.06479
"423499"	790.475588	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+Na+K"	61.952376
"784854"	1170.225288	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+Na+K"	61.952376
"1678391"	410.725888	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Na+K"	61.952376
"263452"	1583.014568	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+ACN+Na"	64.015768
"1240179"	823.515168	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+ACN+Na"	64.015768
"1727860"	823.538693	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+NH4+HCOOH"	64.039293
"1193700"	276.155684666667	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+3Na"	68.967654
"1664319"	828.494088	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Na+HCOOH"	68.994688
"171787"	1595.91784	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+2K-H"	76.91904
"610739"	2355.41724	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+2K-H"	76.91904
"1098170"	836.41844	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2K-H"	76.91904
"154620"	798.462558	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"2M+2K"	77.926316
"594180"	1178.212258	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"3M+2K"	77.926316
"1080881"	418.712858	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2K"	77.926316
"1114576"	838.432992	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2K+H"	78.933592
"1345371"	838.520607	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+DMSO+H"	79.021207
"1017180"	842.559776	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2ACN+H"	83.060376
"1534212"	843.553408	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+IsoProp+Na+H"	84.054008
"999565"	421.783526	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+2ACN+2H"	84.067652
"1596257"	844.468028	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+K+HCOOH"	84.968628
"1418636"	874.499538	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+H+CF3COOH"	115.000138
"1153299"	442.296801	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+3ACN+2H"	125.094202
"1700662"	891.526085	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+NH4+CF3COOH"	132.026685
"1642877"	896.48148	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+Na+CF3COOH"	136.98208
"1577434"	912.45542	"C20093"	"Argiopinin I"	"C36H63N12O6"	"759.4994"	"M+K+CF3COOH"	152.95602
"815454"	744.4759	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M"	0
"987893"	725.45751	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-H2O-H"	-19.01839
"77687"	495.309990666667	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M-3H"	-3.021828
"518221"	743.468624	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M-3H"	-3.021828
"893871"	247.151357333333	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-3H"	-3.021828
"15002"	743.468624	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M-2H"	-2.014552
"455292"	1115.706574	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M-2H"	-2.014552
"827257"	371.230674	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-2H"	-2.014552
"87250"	1487.944524	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M-H"	-1.007276
"528996"	2232.420424	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M-H"	-1.007276
"903517"	743.468624	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-H"	-1.007276
"54615"	1504.971071	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M-2H+NH4"	16.019271
"498184"	2249.446971	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M-2H+NH4"	16.019271
"871612"	760.495171	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-2H+NH4"	16.019271
"40970"	1509.926466	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M-2H+Na"	20.974666
"481261"	2254.402366	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M-2H+Na"	20.974666
"862708"	765.450566	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-2H+Na"	20.974666
"1633788"	765.450566	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Na-2H"	20.974666
"105490"	761.456963	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M-H+Cl"	33.962126
"548940"	1133.694913	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M-H+Cl"	33.962126
"942214"	389.219013	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-H+Cl"	33.962126
"282231"	1523.921202	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+Cl"	34.969402
"675532"	2268.397102	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+Cl"	34.969402
"1288072"	779.445302	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Cl"	34.969402
"29974"	1525.900406	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M-2H+K"	36.948606
"462972"	2270.376306	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M-2H+K"	36.948606
"839680"	781.424506	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-2H+K"	36.948606
"1566455"	781.424506	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+K-2H"	36.948606
"945589"	789.474094	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-H+HCOOH"	44.998194
"365993"	1533.950001	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+HCOOH-H"	44.998201
"350968"	1547.965651	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+Hac-H"	59.013851
"1498709"	803.489751	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Hac-H"	59.013851
"960050"	811.456051	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-H+NaCOOH"	66.980151
"115154"	779.445302	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+2Cl"	69.938804
"555808"	1151.683252	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+2Cl"	69.938804
"1027889"	407.207352	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2Cl"	69.938804
"1246374"	823.394785	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Br"	78.918885
"1309915"	825.450772	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Cl+HCOOH"	80.974872
"1324132"	847.432729	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Cl+NaCOOH"	102.956829
"911585"	857.461486	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M-H+CF3COOH"	112.985586
"1291171"	893.438164	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Cl+CF3COOH"	148.962264
"1368236"	709.463224	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H-2H2O"	-35.012676
"1383104"	727.4732	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H-H2O"	-17.0027
"283969"	1489.959076	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+H"	1.007276
"687327"	2234.434976	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+H"	1.007276
"1364769"	745.483176	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H"	1.007276
"139480"	745.483176	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+2H"	2.014552
"580990"	1117.721126	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+2H"	2.014552
"1052341"	373.245226	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2H"	2.014552
"207733"	497.324542666667	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+3H"	3.021828
"647658"	745.483176	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+3H"	3.021828
"1168702"	249.165909333333	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+3H"	3.021828
"428691"	1506.985623	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+NH4"	18.033823
"790780"	2251.461523	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+NH4"	18.033823
"1684559"	762.509723	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+NH4"	18.033823
"333570"	753.9964495	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+H+NH4"	19.041099
"727448"	1126.2343995	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+H+NH4"	19.041099
"1481632"	381.7584995	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H+NH4"	19.041099
"395577"	1511.941018	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+Na"	22.989218
"757665"	2256.416918	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+Na"	22.989218
"1610138"	767.465118	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Na"	22.989218
"319079"	756.474147	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+H+Na"	23.996494
"712594"	1128.712097	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+H+Na"	23.996494
"1463135"	384.236197	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H+Na"	23.996494
"1056384"	256.493223333333	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2H+Na"	25.00377
"1262435"	777.509386	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+CH3OH+H"	33.033486
"384290"	1527.914958	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+K"	38.963158
"748568"	2272.390858	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+K"	38.963158
"1551714"	783.439058	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+K"	38.963158
"313632"	764.461117	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+H+K"	39.970434
"705687"	1136.699067	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+H+K"	39.970434
"1460602"	392.223167	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H+K"	39.970434
"242641"	1530.985626	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+ACN+H"	42.033826
"1219724"	786.509726	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+ACN+H"	42.033826
"1199235"	393.758501	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+ACN+2H"	43.041102
"197574"	1533.92296	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+2Na-H"	44.97116
"637135"	2278.39886	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+2Na-H"	44.97116
"1139544"	789.44706	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2Na-H"	44.97116
"178464"	767.465118	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+2Na"	45.978436
"619117"	1139.703068	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+2Na"	45.978436
"1128454"	395.227168	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2Na"	45.978436
"1412830"	263.820537333333	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H+2Na"	46.985712
"1441179"	791.488646	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H+HCOOH"	47.012746
"230875"	772.49814	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+3H2O+2H"	56.04448
"1521126"	805.54069	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+IsoProp+H"	61.06479
"422270"	775.452088	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+Na+K"	61.952376
"782170"	1147.690038	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+Na+K"	61.952376
"1678136"	403.214138	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Na+K"	61.952376
"261739"	1552.967568	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+ACN+Na"	64.015768
"1240657"	808.491668	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+ACN+Na"	64.015768
"1727971"	808.515193	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+NH4+HCOOH"	64.039293
"1192714"	271.147851333333	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+3Na"	68.967654
"1663696"	813.470588	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Na+HCOOH"	68.994688
"168373"	1565.87084	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+2K-H"	76.91904
"610122"	2310.34674	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+2K-H"	76.91904
"1097186"	821.39494	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2K-H"	76.91904
"154729"	783.439058	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"2M+2K"	77.926316
"592104"	1155.677008	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"3M+2K"	77.926316
"1080991"	411.201108	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2K"	77.926316
"1112013"	823.409492	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2K+H"	78.933592
"1342201"	823.497107	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+DMSO+H"	79.021207
"1016196"	827.536276	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2ACN+H"	83.060376
"1533959"	828.529908	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+IsoProp+Na+H"	84.054008
"999677"	414.271776	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+2ACN+2H"	84.067652
"1597461"	829.444528	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+K+HCOOH"	84.968628
"1418747"	859.476038	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+H+CF3COOH"	115.000138
"1152317"	434.785051	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+3ACN+2H"	125.094202
"1702959"	876.502585	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+NH4+CF3COOH"	132.026685
"1642987"	881.45798	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+Na+CF3COOH"	136.98208
"1577544"	897.43192	"C20094"	"Argiopinin II"	"C35H60N12O6"	"744.4759"	"M+K+CF3COOH"	152.95602
"815564"	659.4231	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M"	0
"986910"	640.40471	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-H2O-H"	-19.01839
"67498"	438.608124	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M-3H"	-3.021828
"505966"	658.415824	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M-3H"	-3.021828
"892521"	218.800424	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-3H"	-3.021828
"15523"	658.415824	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M-2H"	-2.014552
"455490"	988.127374	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M-2H"	-2.014552
"831743"	328.704274	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-2H"	-2.014552
"87360"	1317.838924	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M-H"	-1.007276
"529106"	1977.262024	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M-H"	-1.007276
"905814"	658.415824	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-H"	-1.007276
"54725"	1334.865471	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M-2H+NH4"	16.019271
"498294"	1994.288571	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M-2H+NH4"	16.019271
"873179"	675.442371	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-2H+NH4"	16.019271
"41080"	1339.820866	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M-2H+Na"	20.974666
"481735"	1999.243966	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M-2H+Na"	20.974666
"860631"	680.397766	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-2H+Na"	20.974666
"1630166"	680.397766	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Na-2H"	20.974666
"104506"	676.404163	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M-H+Cl"	33.962126
"545889"	1006.115713	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M-H+Cl"	33.962126
"942486"	346.692613	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-H+Cl"	33.962126
"281490"	1353.815602	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+Cl"	34.969402
"674761"	2013.238702	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+Cl"	34.969402
"1286436"	694.392502	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Cl"	34.969402
"28990"	1355.794806	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M-2H+K"	36.948606
"463082"	2015.217906	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M-2H+K"	36.948606
"839790"	696.371706	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-2H+K"	36.948606
"1566565"	696.371706	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+K-2H"	36.948606
"945699"	704.421294	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-H+HCOOH"	44.998194
"366103"	1363.844401	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+HCOOH-H"	44.998201
"351079"	1377.860051	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+Hac-H"	59.013851
"1499913"	718.436951	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Hac-H"	59.013851
"960524"	726.403251	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-H+NaCOOH"	66.980151
"116358"	694.392502	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+2Cl"	69.938804
"553733"	1024.104052	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+2Cl"	69.938804
"1024353"	364.680952	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2Cl"	69.938804
"1245389"	738.341985	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Br"	78.918885
"1306501"	740.397972	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Cl+HCOOH"	80.974872
"1320957"	762.379929	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Cl+NaCOOH"	102.956829
"912868"	772.408686	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M-H+CF3COOH"	112.985586
"1288724"	808.385364	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Cl+CF3COOH"	148.962264
"1367980"	624.410424	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H-2H2O"	-35.012676
"1383537"	642.4204	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H-H2O"	-17.0027
"284199"	1319.853476	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+H"	1.007276
"684158"	1979.276576	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+H"	1.007276
"1361599"	660.430376	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H"	1.007276
"135579"	660.430376	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+2H"	2.014552
"578421"	990.141926	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+2H"	2.014552
"1048314"	330.718826	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2H"	2.014552
"214039"	440.622676	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+3H"	3.021828
"656883"	660.430376	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+3H"	3.021828
"1171725"	220.814976	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+3H"	3.021828
"430990"	1336.880023	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+NH4"	18.033823
"789794"	1996.303123	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+NH4"	18.033823
"1685761"	677.456923	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+NH4"	18.033823
"334040"	668.9436495	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+H+NH4"	19.041099
"726828"	998.6551995	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+H+NH4"	19.041099
"1480644"	339.2320995	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H+NH4"	19.041099
"395679"	1341.835418	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+Na"	22.989218
"756671"	2001.258518	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+Na"	22.989218
"1604407"	682.412318	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Na"	22.989218
"316272"	671.421347	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+H+Na"	23.996494
"712703"	1001.132897	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+H+Na"	23.996494
"1470896"	341.709797	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H+Na"	23.996494
"1063049"	228.14229	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2H+Na"	25.00377
"1264729"	692.456586	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+CH3OH+H"	33.033486
"382211"	1357.809358	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+K"	38.963158
"747580"	2017.232458	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+K"	38.963158
"1545261"	698.386258	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+K"	38.963158
"307903"	679.408317	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+H+K"	39.970434
"702515"	1009.119867	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+H+K"	39.970434
"1459614"	349.696767	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H+K"	39.970434
"241657"	1360.880026	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+ACN+H"	42.033826
"1214368"	701.456926	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+ACN+H"	42.033826
"1199343"	351.232101	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+ACN+2H"	43.041102
"194403"	1363.81736	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+2Na-H"	44.97116
"631777"	2023.24046	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+2Na-H"	44.97116
"1135284"	704.39426	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2Na-H"	44.97116
"178574"	682.412318	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+2Na"	45.978436
"620322"	1012.123868	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+2Na"	45.978436
"1127835"	352.700768	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2Na"	45.978436
"1410995"	235.469604	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H+2Na"	46.985712
"1440196"	706.435846	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H+HCOOH"	47.012746
"230985"	687.44534	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+3H2O+2H"	56.04448
"1522693"	720.48789	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+IsoProp+H"	61.06479
"422378"	690.399288	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+Na+K"	61.952376
"783374"	1020.110838	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+Na+K"	61.952376
"1677516"	360.687738	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Na+K"	61.952376
"261847"	1382.861968	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+ACN+Na"	64.015768
"1240031"	723.438868	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+ACN+Na"	64.015768
"1727469"	723.462393	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+NH4+HCOOH"	64.039293
"1193309"	242.796918	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+3Na"	68.967654
"1664537"	728.417788	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Na+HCOOH"	68.994688
"171034"	1395.76524	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+2K-H"	76.91904
"611322"	2055.18834	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+2K-H"	76.91904
"1097295"	736.34214	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2K-H"	76.91904
"154840"	698.386258	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"2M+2K"	77.926316
"591485"	1028.097808	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"3M+2K"	77.926316
"1080372"	368.674708	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2K"	77.926316
"1111029"	738.356692	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2K+H"	78.933592
"1342310"	738.444307	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+DMSO+H"	79.021207
"1015213"	742.483476	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2ACN+H"	83.060376
"1534069"	743.477108	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+IsoProp+Na+H"	84.054008
"998694"	371.745376	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+2ACN+2H"	84.067652
"1598664"	744.391728	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+K+HCOOH"	84.968628
"1417764"	774.423238	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+H+CF3COOH"	115.000138
"1153520"	392.258651	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+3ACN+2H"	125.094202
"1700883"	791.449785	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+NH4+CF3COOH"	132.026685
"1643097"	796.40518	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+Na+CF3COOH"	136.98208
"1576561"	812.37912	"C20095"	"Argiopinin III"	"C31H53N11O5"	"659.4231"	"M+K+CF3COOH"	152.95602
"814581"	743.5044	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M"	0
"988844"	724.48601	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-H2O-H"	-19.01839
"76356"	494.662324	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M-3H"	-3.021828
"509356"	742.497124	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M-3H"	-3.021828
"893724"	246.827524	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-3H"	-3.021828
"15478"	742.497124	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M-2H"	-2.014552
"455551"	1114.249324	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M-2H"	-2.014552
"832217"	370.744924	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-2H"	-2.014552
"87470"	1486.001524	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M-H"	-1.007276
"527030"	2229.505924	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M-H"	-1.007276
"905560"	742.497124	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-H"	-1.007276
"55928"	1503.028071	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M-2H+NH4"	16.019271
"501684"	2246.532471	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M-2H+NH4"	16.019271
"874382"	759.523671	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-2H+NH4"	16.019271
"41190"	1507.983466	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M-2H+Na"	20.974666
"486877"	2251.487866	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M-2H+Na"	20.974666
"862929"	764.479066	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-2H+Na"	20.974666
"1633556"	764.479066	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Na-2H"	20.974666
"105346"	760.485463	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M-H+Cl"	33.962126
"545999"	1132.237663	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M-H+Cl"	33.962126
"940974"	388.733263	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-H+Cl"	33.962126
"282577"	1521.978202	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+Cl"	34.969402
"674143"	2265.482602	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+Cl"	34.969402
"1287763"	778.473802	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Cl"	34.969402
"28007"	1523.957406	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M-2H+K"	36.948606
"466472"	2267.461806	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M-2H+K"	36.948606
"842087"	780.453006	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-2H+K"	36.948606
"1568862"	780.453006	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+K-2H"	36.948606
"947995"	788.502594	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-H+HCOOH"	44.998194
"369493"	1532.007001	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+HCOOH-H"	44.998201
"351189"	1546.022651	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+Hac-H"	59.013851
"1503304"	802.518251	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Hac-H"	59.013851
"963187"	810.484551	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-H+NaCOOH"	66.980151
"115375"	778.473802	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+2Cl"	69.938804
"556030"	1150.226002	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+2Cl"	69.938804
"1024830"	406.721602	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2Cl"	69.938804
"1244407"	822.423285	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Br"	78.918885
"1306855"	824.479272	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Cl+HCOOH"	80.974872
"1326539"	846.461229	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Cl+NaCOOH"	102.956829
"912858"	856.489986	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M-H+CF3COOH"	112.985586
"1289324"	892.466664	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Cl+CF3COOH"	148.962264
"1367485"	708.491724	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H-2H2O"	-35.012676
"1385596"	726.5017	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H-H2O"	-17.0027
"285282"	1488.016076	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+H"	1.007276
"684266"	2231.520476	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+H"	1.007276
"1362802"	744.511676	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H"	1.007276
"133502"	744.511676	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+2H"	2.014552
"579260"	1116.263876	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+2H"	2.014552
"1046237"	372.759476	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2H"	2.014552
"217431"	496.676876	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+3H"	3.021828
"659181"	744.511676	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+3H"	3.021828
"1176211"	248.842076	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+3H"	3.021828
"434016"	1505.042623	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+NH4"	18.033823
"791365"	2248.547023	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+NH4"	18.033823
"1688060"	761.538223	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+NH4"	18.033823
"337432"	753.0249495	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+H+NH4"	19.041099
"730947"	1124.7771495	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+H+NH4"	19.041099
"1482577"	381.2727495	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H+NH4"	19.041099
"395788"	1509.998018	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+Na"	22.989218
"755326"	2253.502418	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+Na"	22.989218
"1605976"	766.493618	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Na"	22.989218
"318204"	755.502647	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+H+Na"	23.996494
"716093"	1127.254847	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+H+Na"	23.996494
"1472099"	383.750447	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H+Na"	23.996494
"1063159"	256.16939	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2H+Na"	25.00377
"1267025"	776.537886	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+CH3OH+H"	33.033486
"382321"	1525.971958	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+K"	38.963158
"749877"	2269.476358	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+K"	38.963158
"1546464"	782.467558	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+K"	38.963158
"312389"	763.489617	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+H+K"	39.970434
"703719"	1135.241817	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+H+K"	39.970434
"1458632"	391.737417	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H+K"	39.970434
"246141"	1529.042626	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+ACN+H"	42.033826
"1218850"	785.538226	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+ACN+H"	42.033826
"1200548"	393.272751	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+ACN+2H"	43.041102
"198884"	1531.97996	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+2Na-H"	44.97116
"635167"	2275.48436	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+2Na-H"	44.97116
"1135394"	788.47556	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2Na-H"	44.97116
"179775"	766.493618	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+2Na"	45.978436
"622253"	1138.245818	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+2Na"	45.978436
"1127945"	394.741418	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2Na"	45.978436
"1411833"	263.496704	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H+2Na"	46.985712
"1442492"	790.517146	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H+HCOOH"	47.012746
"225991"	771.52664	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+3H2O+2H"	56.04448
"1522073"	804.56919	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+IsoProp+H"	61.06479
"418842"	774.480588	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+Na+K"	61.952376
"782389"	1146.232788	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+Na+K"	61.952376
"1674345"	402.728388	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Na+K"	61.952376
"260864"	1551.024568	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+ACN+Na"	64.015768
"1241033"	807.520168	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+ACN+Na"	64.015768
"1726482"	807.543693	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+NH4+HCOOH"	64.039293
"1193296"	270.824018	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+3Na"	68.967654
"1664647"	812.499088	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Na+HCOOH"	68.994688
"170051"	1563.92784	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+2K-H"	76.91904
"611431"	2307.43224	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+2K-H"	76.91904
"1098497"	820.42344	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2K-H"	76.91904
"154946"	782.467558	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"2M+2K"	77.926316
"590502"	1154.219758	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"3M+2K"	77.926316
"1082914"	410.715358	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2K"	77.926316
"1110410"	822.437992	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2K+H"	78.933592
"1346790"	822.525607	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+DMSO+H"	79.021207
"1015324"	826.564776	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2ACN+H"	83.060376
"1532357"	827.558408	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+IsoProp+Na+H"	84.054008
"999898"	413.786026	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+2ACN+2H"	84.067652
"1597681"	828.473028	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+K+HCOOH"	84.968628
"1420060"	858.504538	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+H+CF3COOH"	115.000138
"1152535"	434.299301	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+3ACN+2H"	125.094202
"1700992"	875.531085	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+NH4+CF3COOH"	132.026685
"1643207"	880.48648	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+Na+CF3COOH"	136.98208
"1576671"	896.46042	"C20096"	"Pseudoargiopinin I"	"C36H63N12O5"	"743.5044"	"M+K+CF3COOH"	152.95602
"814691"	373.2114	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M"	0
"984943"	354.19301	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-H2O-H"	-19.01839
"67720"	247.800324	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M-3H"	-3.021828
"513841"	372.204124	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M-3H"	-3.021828
"893106"	123.396524	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-3H"	-3.021828
"5853"	372.204124	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M-2H"	-2.014552
"453796"	558.809824	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M-2H"	-2.014552
"819933"	185.598424	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-2H"	-2.014552
"79924"	745.415524	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M-H"	-1.007276
"518875"	1118.626924	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M-H"	-1.007276
"897285"	372.204124	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-H"	-1.007276
"52756"	762.442071	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M-2H+NH4"	16.019271
"494505"	1135.653471	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M-2H+NH4"	16.019271
"869025"	389.230671	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-2H+NH4"	16.019271
"34739"	767.397466	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M-2H+Na"	20.974666
"481955"	1140.608866	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M-2H+Na"	20.974666
"858663"	394.186066	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-2H+Na"	20.974666
"1630383"	394.186066	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Na-2H"	20.974666
"101444"	390.192463	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M-H+Cl"	33.962126
"542099"	576.798163	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M-H+Cl"	33.962126
"937803"	203.586763	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-H+Cl"	33.962126
"279643"	781.392202	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+Cl"	34.969402
"673157"	1154.603602	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+Cl"	34.969402
"1284468"	408.180802	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Cl"	34.969402
"29211"	783.371406	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M-2H+K"	36.948606
"465123"	1156.582806	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M-2H+K"	36.948606
"842197"	410.160006	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-2H+K"	36.948606
"1568972"	410.160006	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+K-2H"	36.948606
"944095"	418.209594	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-H+HCOOH"	44.998194
"367416"	791.421001	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+HCOOH-H"	44.998201
"349112"	805.436651	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+Hac-H"	59.013851
"1502320"	432.225251	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Hac-H"	59.013851
"968764"	440.191551	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-H+NaCOOH"	66.980151
"115485"	408.180802	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+2Cl"	69.938804
"556140"	594.786502	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+2Cl"	69.938804
"1024939"	221.575102	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2Cl"	69.938804
"1245245"	452.130285	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Br"	78.918885
"1307329"	454.186272	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Cl+HCOOH"	80.974872
"1324462"	476.168229	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Cl+NaCOOH"	102.956829
"911875"	486.196986	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M-H+CF3COOH"	112.985586
"1289311"	522.173664	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Cl+CF3COOH"	148.962264
"1368324"	338.198724	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H-2H2O"	-35.012676
"1384613"	356.2087	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H-H2O"	-17.0027
"283245"	747.430076	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+H"	1.007276
"683283"	1120.641476	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+H"	1.007276
"1362912"	374.218676	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H"	1.007276
"130332"	374.218676	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+2H"	2.014552
"577548"	560.824376	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+2H"	2.014552
"1043067"	187.612976	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2H"	2.014552
"216448"	249.814876	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+3H"	3.021828
"657103"	374.218676	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+3H"	3.021828
"1177415"	125.411076	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+3H"	3.021828
"433032"	764.456623	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+NH4"	18.033823
"791840"	1137.668023	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+NH4"	18.033823
"1689264"	391.245223	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+NH4"	18.033823
"338635"	382.7319495	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+H+NH4"	19.041099
"732150"	569.3376495	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+H+NH4"	19.041099
"1482686"	196.1262495	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H+NH4"	19.041099
"396993"	769.412018	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+Na"	22.989218
"754708"	1142.623418	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+Na"	22.989218
"1607179"	396.200618	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Na"	22.989218
"318314"	385.209647	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+H+Na"	23.996494
"716203"	571.815347	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+H+Na"	23.996494
"1465649"	198.603947	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H+Na"	23.996494
"1058895"	132.73839	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2H+Na"	25.00377
"1264948"	406.244886	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+CH3OH+H"	33.033486
"380243"	785.385958	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+K"	38.963158
"749987"	1158.597358	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+K"	38.963158
"1546574"	412.174558	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+K"	38.963158
"311039"	393.196617	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+H+K"	39.970434
"704557"	579.802317	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+H+K"	39.970434
"1458741"	206.590917	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H+K"	39.970434
"242971"	788.456626	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+ACN+H"	42.033826
"1216775"	415.245226	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+ACN+H"	42.033826
"1202841"	208.126251	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+ACN+2H"	43.041102
"194622"	791.39396	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+2Na-H"	44.97116
"636370"	1164.60536	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+2Na-H"	44.97116
"1135503"	418.18256	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2Na-H"	44.97116
"178793"	396.200618	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+2Na"	45.978436
"621634"	582.806318	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+2Na"	45.978436
"1122952"	209.594918	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2Na"	45.978436
"1405382"	140.065704	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H+2Na"	46.985712
"1442602"	420.224146	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H+HCOOH"	47.012746
"225007"	401.23364	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+3H2O+2H"	56.04448
"1518537"	434.27619	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+IsoProp+H"	61.06479
"419316"	404.187588	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+Na+K"	61.952376
"782499"	590.793288	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+Na+K"	61.952376
"1672268"	217.581888	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Na+K"	61.952376
"259880"	810.438568	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+ACN+Na"	64.015768
"1240617"	437.227168	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+ACN+Na"	64.015768
"1727321"	437.250693	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+NH4+HCOOH"	64.039293
"1193042"	147.393018	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+3Na"	68.967654
"1664393"	442.206088	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Na+HCOOH"	68.994688
"166883"	823.34184	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+2K-H"	76.91904
"609355"	1196.55324	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+2K-H"	76.91904
"1097879"	450.13044	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2K-H"	76.91904
"155058"	412.174558	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"2M+2K"	77.926316
"589518"	598.780258	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"3M+2K"	77.926316
"1082779"	225.568858	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2K"	77.926316
"1114534"	452.144992	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2K+H"	78.933592
"1345443"	452.232607	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+DMSO+H"	79.021207
"1015434"	456.271776	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2ACN+H"	83.060376
"1532464"	457.265408	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+IsoProp+Na+H"	84.054008
"999643"	228.639526	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+2ACN+2H"	84.067652
"1599613"	458.180028	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+K+HCOOH"	84.968628
"1420170"	488.211538	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+H+CF3COOH"	115.000138
"1150457"	249.152801	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+3ACN+2H"	125.094202
"1702196"	505.238085	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+NH4+CF3COOH"	132.026685
"1641130"	510.19348	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+Na+CF3COOH"	136.98208
"1573499"	526.16742	"C20097"	"Pseudoargiopinin III"	"C19H27N5O3"	"373.2114"	"M+K+CF3COOH"	152.95602
"812625"	2841.7221	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M"	0
"980690"	2822.70371	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-H2O-H"	-19.01839
"64921"	1893.474124	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M-3H"	-3.021828
"507400"	2840.714824	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M-3H"	-3.021828
"885202"	946.233424	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-3H"	-3.021828
"5963"	2840.714824	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M-2H"	-2.014552
"443337"	4261.575874	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M-2H"	-2.014552
"826606"	1419.853774	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-2H"	-2.014552
"81491"	5682.436924	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M-H"	-1.007276
"522145"	8524.159024	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M-H"	-1.007276
"897760"	2840.714824	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-H"	-1.007276
"48976"	5699.463471	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M-2H+NH4"	16.019271
"490969"	8541.185571	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M-2H+NH4"	16.019271
"865853"	2857.741371	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-2H+NH4"	16.019271
"33755"	5704.418866	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M-2H+Na"	20.974666
"472586"	8546.140966	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M-2H+Na"	20.974666
"850393"	2862.696766	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-2H+Na"	20.974666
"1619682"	2862.696766	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Na-2H"	20.974666
"95723"	2858.703163	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M-H+Cl"	33.962126
"543315"	4279.564213	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M-H+Cl"	33.962126
"935736"	1437.842113	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-H+Cl"	33.962126
"274291"	5718.413602	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+Cl"	34.969402
"666713"	8560.135702	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+Cl"	34.969402
"1279115"	2876.691502	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Cl"	34.969402
"17661"	5720.392806	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M-2H+K"	36.948606
"465609"	8562.114906	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M-2H+K"	36.948606
"835754"	2878.670706	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-2H+K"	36.948606
"1556041"	2878.670706	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+K-2H"	36.948606
"944207"	2886.720294	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-H+HCOOH"	44.998194
"366433"	5728.442401	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+HCOOH-H"	44.998201
"354691"	5742.458051	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+Hac-H"	59.013851
"1494777"	2900.735951	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Hac-H"	59.013851
"963412"	2908.702251	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-H+NaCOOH"	66.980151
"114504"	2876.691502	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+2Cl"	69.938804
"559531"	4297.552552	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+2Cl"	69.938804
"1027237"	1455.830452	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2Cl"	69.938804
"1242808"	2920.640985	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Br"	78.918885
"1306225"	2922.696972	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Cl+HCOOH"	80.974872
"1324583"	2944.678929	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Cl+NaCOOH"	102.956829
"911670"	2954.707686	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M-H+CF3COOH"	112.985586
"1289556"	2990.684364	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Cl+CF3COOH"	148.962264
"1368328"	2806.709424	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H-2H2O"	-35.012676
"1388013"	2824.7194	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H-H2O"	-17.0027
"286605"	5684.451476	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+H"	1.007276
"677940"	8526.173576	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+H"	1.007276
"1355018"	2842.729376	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H"	1.007276
"128272"	2842.729376	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+2H"	2.014552
"566735"	4263.590426	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+2H"	2.014552
"1039910"	1421.868326	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2H"	2.014552
"205621"	1895.488676	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+3H"	3.021828
"647003"	2842.729376	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+3H"	3.021828
"1165856"	948.247976	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+3H"	3.021828
"425850"	5701.478023	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+NH4"	18.033823
"785870"	8543.200123	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+NH4"	18.033823
"1683905"	2859.755923	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+NH4"	18.033823
"332546"	2851.2426495	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+H+NH4"	19.041099
"725695"	4272.1036995	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+H+NH4"	19.041099
"1479514"	1430.3815995	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H+NH4"	19.041099
"393462"	5706.433418	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+Na"	22.989218
"757012"	8548.155518	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+Na"	22.989218
"1604380"	2864.711318	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Na"	22.989218
"322810"	2853.720347	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+H+Na"	23.996494
"715230"	4274.581397	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+H+Na"	23.996494
"1461399"	1432.859297	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H+Na"	23.996494
"1052927"	955.57529	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2H+Na"	25.00377
"1257119"	2874.755586	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+CH3OH+H"	33.033486
"377130"	5722.407358	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+K"	38.963158
"739650"	8564.129458	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+K"	38.963158
"1541584"	2880.685258	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+K"	38.963158
"299490"	2861.707317	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+H+K"	39.970434
"694096"	4282.568367	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+H+K"	39.970434
"1451566"	1440.846267	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H+K"	39.970434
"239800"	5725.478026	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+ACN+H"	42.033826
"1213601"	2883.755926	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+ACN+H"	42.033826
"1198577"	1442.381601	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+ACN+2H"	43.041102
"194728"	5728.41536	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+2Na-H"	44.97116
"634291"	8570.13746	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+2Na-H"	44.97116
"1137798"	2886.69326	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2Na-H"	44.97116
"178902"	2864.711318	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+2Na"	45.978436
"625765"	4285.572368	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+2Na"	45.978436
"1124897"	1443.850268	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2Na"	45.978436
"1409150"	962.902604	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H+2Na"	46.985712
"1436893"	2888.734846	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H+HCOOH"	47.012746
"226221"	2869.74434	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+3H2O+2H"	56.04448
"1514282"	2902.78689	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+IsoProp+H"	61.06479
"420164"	2872.698288	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+Na+K"	61.952376
"784683"	4293.559338	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+Na+K"	61.952376
"1680042"	1451.837238	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Na+K"	61.952376
"262551"	5747.459968	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+ACN+Na"	64.015768
"1238177"	2905.737868	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+ACN+Na"	64.015768
"1722690"	2905.761393	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+NH4+HCOOH"	64.039293
"1186587"	970.229918	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+3Na"	68.967654
"1659396"	2910.716788	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Na+HCOOH"	68.994688
"166986"	5760.36324	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+2K-H"	76.91904
"605456"	8602.08534	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+2K-H"	76.91904
"1094708"	2918.64114	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2K-H"	76.91904
"144595"	2880.685258	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"2M+2K"	77.926316
"582333"	4301.546308	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"3M+2K"	77.926316
"1074502"	1459.824208	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2K"	77.926316
"1108076"	2920.655692	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2K+H"	78.933592
"1347378"	2920.743307	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+DMSO+H"	79.021207
"1010072"	2924.782476	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2ACN+H"	83.060376
"1528199"	2925.776108	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+IsoProp+Na+H"	84.054008
"995747"	1462.894876	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+2ACN+2H"	84.067652
"1595720"	2926.690728	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+K+HCOOH"	84.968628
"1420284"	2956.722238	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+H+CF3COOH"	115.000138
"1161518"	1483.408151	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+3ACN+2H"	125.094202
"1710709"	2973.748785	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+NH4+CF3COOH"	132.026685
"1648543"	2978.70418	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+Na+CF3COOH"	136.98208
"1585650"	2994.67812	"C20109"	"Lycotoxin I"	"C135H224N38O29"	"2841.7221"	"M+K+CF3COOH"	152.95602
"811642"	3204.8032	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M"	0
"978613"	3185.78481	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-H2O-H"	-19.01839
"63814"	2135.52819066667	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M-3H"	-3.021828
"505323"	3203.795924	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M-3H"	-3.021828
"882031"	1067.26045733333	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-3H"	-3.021828
"2182"	3203.795924	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M-2H"	-2.014552
"441254"	4806.197524	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M-2H"	-2.014552
"820150"	1601.394324	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-2H"	-2.014552
"79777"	6408.599124	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M-H"	-1.007276
"522987"	9613.402324	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M-H"	-1.007276
"896654"	3203.795924	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-H"	-1.007276
"50060"	6425.625671	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M-2H+NH4"	16.019271
"490715"	9630.428871	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M-2H+NH4"	16.019271
"865842"	3220.822471	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-2H+NH4"	16.019271
"33622"	6430.581066	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M-2H+Na"	20.974666
"472818"	9635.384266	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M-2H+Na"	20.974666
"849649"	3225.777866	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-2H+Na"	20.974666
"1619304"	3225.777866	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Na-2H"	20.974666
"94982"	3221.784263	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M-H+Cl"	33.962126
"542331"	4824.185863	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M-H+Cl"	33.962126
"935846"	1619.382663	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-H+Cl"	33.962126
"273307"	6444.575802	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+Cl"	34.969402
"666823"	9649.379002	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+Cl"	34.969402
"1279225"	3239.772602	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Cl"	34.969402
"19593"	6446.555006	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M-2H+K"	36.948606
"462438"	9651.358206	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M-2H+K"	36.948606
"836957"	3241.751806	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-2H+K"	36.948606
"1559351"	3241.751806	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+K-2H"	36.948606
"947232"	3249.801394	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-H+HCOOH"	44.998194
"367637"	6454.604601	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+HCOOH-H"	44.998201
"354800"	6468.620251	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+Hac-H"	59.013851
"1498168"	3263.817051	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Hac-H"	59.013851
"960242"	3271.783351	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-H+NaCOOH"	66.980151
"112429"	3239.772602	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+2Cl"	69.938804
"554174"	4842.174202	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+2Cl"	69.938804
"1024069"	1637.371002	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2Cl"	69.938804
"1243647"	3283.722085	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Br"	78.918885
"1305003"	3285.778072	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Cl+HCOOH"	80.974872
"1322506"	3307.760029	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Cl+NaCOOH"	102.956829
"912105"	3317.788786	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M-H+CF3COOH"	112.985586
"1289422"	3353.765464	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Cl+CF3COOH"	148.962264
"1367706"	3169.790524	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H-2H2O"	-35.012676
"1383012"	3187.8005	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H-H2O"	-17.0027
"284529"	6410.613676	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+H"	1.007276
"677319"	9615.416876	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+H"	1.007276
"1352941"	3205.810476	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H"	1.007276
"126923"	3205.810476	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+2H"	2.014552
"566845"	4808.212076	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+2H"	2.014552
"1038926"	1603.408876	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2H"	2.014552
"204757"	2137.54274266667	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+3H"	3.021828
"644799"	3205.810476	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+3H"	3.021828
"1163780"	1069.27500933333	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+3H"	3.021828
"424986"	6427.640223	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+NH4"	18.033823
"786462"	9632.443423	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+NH4"	18.033823
"1682555"	3222.837023	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+NH4"	18.033823
"330586"	3214.3237495	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+H+NH4"	19.041099
"723982"	4816.7253495	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+H+NH4"	19.041099
"1477322"	1611.9221495	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H+NH4"	19.041099
"393205"	6432.595618	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+Na"	22.989218
"758215"	9637.398818	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+Na"	22.989218
"1605096"	3227.792418	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Na"	22.989218
"322919"	3216.801447	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+H+Na"	23.996494
"709872"	4819.203047	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+H+Na"	23.996494
"1461743"	1614.399847	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H+Na"	23.996494
"1053406"	1076.60232333333	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2H+Na"	25.00377
"1257637"	3237.836686	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+CH3OH+H"	33.033486
"378038"	6448.569558	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+K"	38.963158
"739395"	9653.372758	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+K"	38.963158
"1541205"	3243.766358	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+K"	38.963158
"300329"	3224.788417	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+H+K"	39.970434
"693843"	4827.190017	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+H+K"	39.970434
"1449488"	1622.386817	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H+K"	39.970434
"241003"	6451.640226	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+ACN+H"	42.033826
"1214805"	3246.837026	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+ACN+H"	42.033826
"1199782"	1623.922151	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+ACN+2H"	43.041102
"193745"	6454.57756	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+2Na-H"	44.97116
"636587"	9659.38076	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+2Na-H"	44.97116
"1139001"	3249.77436	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2Na-H"	44.97116
"179012"	3227.792418	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+2Na"	45.978436
"622955"	4830.194018	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+2Na"	45.978436
"1120996"	1625.390818	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2Na"	45.978436
"1409625"	1083.92963733333	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H+2Na"	46.985712
"1437366"	3251.815946	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H+HCOOH"	47.012746
"223051"	3232.82544	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+3H2O+2H"	56.04448
"1516216"	3265.86799	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+IsoProp+H"	61.06479
"419182"	3235.779388	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+Na+K"	61.952376
"782363"	4838.180988	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+Na+K"	61.952376
"1676870"	1633.377788	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Na+K"	61.952376
"261204"	6473.622168	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+ACN+Na"	64.015768
"1236101"	3268.818968	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+ACN+Na"	64.015768
"1724260"	3268.842493	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+NH4+HCOOH"	64.039293
"1187790"	1091.25695133333	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+3Na"	68.967654
"1658777"	3273.797888	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Na+HCOOH"	68.994688
"168193"	6486.52544	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+2K-H"	76.91904
"608482"	9691.32864	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+2K-H"	76.91904
"1092630"	3281.72224	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2K-H"	76.91904
"147625"	3243.766358	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"2M+2K"	77.926316
"589373"	4846.167958	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"3M+2K"	77.926316
"1074976"	1641.364758	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2K"	77.926316
"1107456"	3283.736792	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2K+H"	78.933592
"1346395"	3283.824407	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+DMSO+H"	79.021207
"1010182"	3287.863576	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2ACN+H"	83.060376
"1531590"	3288.857208	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+IsoProp+Na+H"	84.054008
"994757"	1644.435426	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+2ACN+2H"	84.067652
"1596927"	3289.771828	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+K+HCOOH"	84.968628
"1420396"	3319.803338	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+H+CF3COOH"	115.000138
"1159442"	1664.948701	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+3ACN+2H"	125.094202
"1711182"	3336.829885	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+NH4+CF3COOH"	132.026685
"1648289"	3341.78528	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+Na+CF3COOH"	136.98208
"1585760"	3357.75922	"C20110"	"Lycotoxin II"	"C149H245N39O35S2"	"3204.8032"	"M+K+CF3COOH"	152.95602
"806291"	4845.0792	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M"	0
"976543"	4826.06081	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-H2O-H"	-19.01839
"73538"	3229.045524	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M-3H"	-3.021828
"510909"	4844.071924	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M-3H"	-3.021828
"883245"	1614.019124	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-3H"	-3.021828
"2914"	4844.071924	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M-2H"	-2.014552
"441136"	7266.611524	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M-2H"	-2.014552
"820276"	2421.532324	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-2H"	-2.014552
"80993"	9689.151124	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M-H"	-1.007276
"520553"	14534.230324	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M-H"	-1.007276
"898716"	4844.071924	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-H"	-1.007276
"51637"	9706.177671	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M-2H+NH4"	16.019271
"500193"	14551.256871	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M-2H+NH4"	16.019271
"869372"	4861.098471	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-2H+NH4"	16.019271
"35084"	9711.133066	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M-2H+Na"	20.974666
"474641"	14556.212266	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M-2H+Na"	20.974666
"851356"	4866.053866	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-2H+Na"	20.974666
"1618863"	4866.053866	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Na-2H"	20.974666
"107990"	4862.060263	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M-H+Cl"	33.962126
"542447"	7284.599863	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M-H+Cl"	33.962126
"932683"	2439.520663	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-H+Cl"	33.962126
"271238"	9725.127802	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+Cl"	34.969402
"661473"	14570.207002	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+Cl"	34.969402
"1273006"	4880.048602	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Cl"	34.969402
"21901"	9727.107006	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M-2H+K"	36.948606
"456722"	14572.186206	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M-2H+K"	36.948606
"833795"	4882.027806	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-2H+K"	36.948606
"1556227"	4882.027806	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+K-2H"	36.948606
"943824"	4890.077394	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-H+HCOOH"	44.998194
"363385"	9735.156601	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+HCOOH-H"	44.998201
"350915"	9749.172251	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+Hac-H"	59.013851
"1493587"	4904.093051	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Hac-H"	59.013851
"966203"	4912.059351	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-H+NaCOOH"	66.980151
"117660"	4880.048602	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+2Cl"	69.938804
"556127"	7302.588202	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+2Cl"	69.938804
"1030762"	2457.509002	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2Cl"	69.938804
"1251437"	4923.998085	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Br"	78.918885
"1310969"	4926.054072	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Cl+HCOOH"	80.974872
"1329196"	4948.036029	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Cl+NaCOOH"	102.956829
"922443"	4958.064786	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M-H+CF3COOH"	112.985586
"1296964"	4994.041464	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Cl+CF3COOH"	148.962264
"1374395"	4810.066524	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H-2H2O"	-35.012676
"1388611"	4828.0765	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H-H2O"	-17.0027
"285746"	9691.165676	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+H"	1.007276
"680353"	14536.244876	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+H"	1.007276
"1353059"	4846.086476	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H"	1.007276
"137252"	4846.086476	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+2H"	2.014552
"571343"	7268.626076	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+2H"	2.014552
"1041234"	2423.546876	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2H"	2.014552
"207311"	3231.060076	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+3H"	3.021828
"651976"	4846.086476	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+3H"	3.021828
"1170101"	1616.033676	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+3H"	3.021828
"428999"	9708.192223	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+NH4"	18.033823
"788901"	14553.271423	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+NH4"	18.033823
"1696548"	4863.113023	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+NH4"	18.033823
"345196"	4854.5997495	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+H+NH4"	19.041099
"738482"	7277.1393495	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+H+NH4"	19.041099
"1492280"	2432.0601495	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H+NH4"	19.041099
"401721"	9713.147618	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+Na"	22.989218
"767090"	14558.226818	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+Na"	22.989218
"1616162"	4868.068418	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Na"	22.989218
"329606"	4857.077447	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+H+Na"	23.996494
"722513"	7279.617047	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+H+Na"	23.996494
"1475845"	2434.537847	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H+Na"	23.996494
"1067876"	1623.36099	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2H+Na"	25.00377
"1269675"	4878.112686	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+CH3OH+H"	33.033486
"391162"	9729.121558	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+K"	38.963158
"744865"	14574.200758	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+K"	38.963158
"1545823"	4884.042358	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+K"	38.963158
"302998"	4865.064417	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+H+K"	39.970434
"698699"	7287.604017	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+H+K"	39.970434
"1453614"	2442.524817	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H+K"	39.970434
"246602"	9732.192226	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+ACN+H"	42.033826
"1221499"	4887.113026	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+ACN+H"	42.033826
"1205382"	2444.060151	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+ACN+2H"	43.041102
"201531"	9735.12956	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+2Na-H"	44.97116
"636717"	14580.20876	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+2Na-H"	44.97116
"1138035"	4890.05036	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2Na-H"	44.97116
"180233"	4868.068418	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+2Na"	45.978436
"621981"	7290.608018	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+2Na"	45.978436
"1124398"	2445.528818	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2Na"	45.978436
"1409014"	1630.688304	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H+2Na"	46.985712
"1433112"	4892.091946	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H+HCOOH"	47.012746
"220329"	4873.10144	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+3H2O+2H"	56.04448
"1508797"	4906.14399	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+IsoProp+H"	61.06479
"409579"	4876.055388	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+Na+K"	61.952376
"772639"	7298.594988	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+Na+K"	61.952376
"1667876"	2453.515788	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Na+K"	61.952376
"253668"	9754.174168	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+ACN+Na"	64.015768
"1227106"	4909.094968	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+ACN+Na"	64.015768
"1714536"	4909.118493	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+NH4+HCOOH"	64.039293
"1182443"	1638.015618	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+3Na"	68.967654
"1653062"	4914.073888	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Na+HCOOH"	68.994688
"162113"	9767.07744	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+2K-H"	76.91904
"601315"	14612.15664	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+2K-H"	76.91904
"1089109"	4921.99824	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2K-H"	76.91904
"147017"	4884.042358	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"2M+2K"	77.926316
"595824"	7306.581958	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"3M+2K"	77.926316
"1079852"	2461.502758	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2K"	77.926316
"1113059"	4924.012792	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2K+H"	78.933592
"1348351"	4924.100407	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+DMSO+H"	79.021207
"1017975"	4928.139576	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2ACN+H"	83.060376
"1537193"	4929.133208	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+IsoProp+Na+H"	84.054008
"1001453"	2464.573426	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+2ACN+2H"	84.067652
"1600329"	4930.047828	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+K+HCOOH"	84.968628
"1423799"	4960.079338	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+H+CF3COOH"	115.000138
"1162352"	2485.086701	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+3ACN+2H"	125.094202
"1702545"	4977.105885	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+NH4+CF3COOH"	132.026685
"1639290"	4982.06128	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+Na+CF3COOH"	136.98208
"1585877"	4998.03522	"C20118"	"Robustoxin;Delta-hexatoxin-Ar1a"	"C206H313N59O59S9"	"4845.0792"	"M+K+CF3COOH"	152.95602
"816249"	302.1647	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M"	0
"985405"	283.14631	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-H2O-H"	-19.01839
"75106"	200.435857333333	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M-3H"	-3.021828
"509928"	301.157424	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M-3H"	-3.021828
"886635"	99.7142906666667	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-3H"	-3.021828
"3023"	301.157424	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M-2H"	-2.014552
"446957"	452.239774	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M-2H"	-2.014552
"818196"	150.075074	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-2H"	-2.014552
"82563"	603.322124	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M-H"	-1.007276
"519571"	905.486824	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M-H"	-1.007276
"904302"	301.157424	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-H"	-1.007276
"59775"	620.348671	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M-2H+NH4"	16.019271
"497148"	922.513371	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M-2H+NH4"	16.019271
"865595"	318.183971	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-2H+NH4"	16.019271
"39573"	625.304066	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M-2H+Na"	20.974666
"476946"	927.468766	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M-2H+Na"	20.974666
"851467"	323.139366	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-2H+Na"	20.974666
"1627564"	323.139366	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Na-2H"	20.974666
"101907"	319.145763	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M-H+Cl"	33.962126
"538184"	470.228113	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M-H+Cl"	33.962126
"931703"	168.063413	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-H+Cl"	33.962126
"271352"	639.298802	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+Cl"	34.969402
"663774"	941.463502	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+Cl"	34.969402
"1277271"	337.134102	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Cl"	34.969402
"23106"	641.278006	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M-2H+K"	36.948606
"459388"	943.442706	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M-2H+K"	36.948606
"833903"	339.113306	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-2H+K"	36.948606
"1564327"	339.113306	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+K-2H"	36.948606
"951118"	347.162894	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-H+HCOOH"	44.998194
"366051"	649.327601	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+HCOOH-H"	44.998201
"354311"	663.343251	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+Hac-H"	59.013851
"1499498"	361.178551	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Hac-H"	59.013851
"963756"	369.144851	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-H+NaCOOH"	66.980151
"118143"	337.134102	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+2Cl"	69.938804
"556970"	488.216452	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+2Cl"	69.938804
"1031977"	186.051752	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2Cl"	69.938804
"1254468"	381.083585	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Br"	78.918885
"1307444"	383.139572	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Cl+HCOOH"	80.974872
"1328218"	405.121529	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Cl+NaCOOH"	102.956829
"920370"	415.150286	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M-H+CF3COOH"	112.985586
"1295983"	451.126964	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Cl+CF3COOH"	148.962264
"1379612"	267.152024	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H-2H2O"	-35.012676
"1392734"	285.162	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H-H2O"	-17.0027
"294611"	605.336676	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+H"	1.007276
"689226"	907.501376	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+H"	1.007276
"1366178"	303.171976	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H"	1.007276
"141017"	303.171976	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+2H"	2.014552
"575831"	454.254326	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+2H"	2.014552
"1052499"	152.089626	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2H"	2.014552
"216905"	202.450409333333	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+3H"	3.021828
"658290"	303.171976	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+3H"	3.021828
"1174591"	101.728842666667	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+3H"	3.021828
"438603"	622.363223	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+NH4"	18.033823
"801026"	924.527923	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+NH4"	18.033823
"1696827"	320.198523	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+NH4"	18.033823
"345148"	311.6852495	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+H+NH4"	19.041099
"738097"	462.7675995	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+H+NH4"	19.041099
"1492400"	160.6028995	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H+NH4"	19.041099
"407555"	627.318618	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+Na"	22.989218
"768912"	929.483318	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+Na"	22.989218
"1617619"	325.153918	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Na"	22.989218
"329803"	314.162947	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+H+Na"	23.996494
"722545"	465.245297	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+H+Na"	23.996494
"1476445"	163.080597	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H+Na"	23.996494
"1068316"	109.056156666667	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2H+Na"	25.00377
"1272705"	335.198186	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+CH3OH+H"	33.033486
"392325"	643.292558	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+K"	38.963158
"746069"	945.457258	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+K"	38.963158
"1544840"	341.127858	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+K"	38.963158
"302015"	322.149917	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+H+K"	39.970434
"705386"	473.232267	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+H+K"	39.970434
"1457021"	171.067567	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H+K"	39.970434
"247808"	646.363226	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+ACN+H"	42.033826
"1220517"	344.198526	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+ACN+H"	42.033826
"1205494"	172.602901	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+ACN+2H"	43.041102
"199460"	649.30056	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+2Na-H"	44.97116
"636831"	951.46526	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+2Na-H"	44.97116
"1135966"	347.13586	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2Na-H"	44.97116
"179255"	325.153918	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+2Na"	45.978436
"621002"	476.236268	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+2Na"	45.978436
"1124507"	174.071568	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2Na"	45.978436
"1410945"	116.383470666667	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H+2Na"	46.985712
"1431034"	349.177446	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H+HCOOH"	47.012746
"220401"	330.18694	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+3H2O+2H"	56.04448
"1508704"	363.22949	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+IsoProp+H"	61.06479
"409329"	333.140888	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+Na+K"	61.952376
"771049"	484.223238	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+Na+K"	61.952376
"1666526"	182.058538	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Na+K"	61.952376
"251507"	668.345168	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+ACN+Na"	64.015768
"1226490"	366.180468	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+ACN+Na"	64.015768
"1712787"	366.203993	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+NH4+HCOOH"	64.039293
"1181830"	123.710784666667	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+3Na"	68.967654
"1653181"	371.159388	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Na+HCOOH"	68.994688
"167334"	681.24844	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+2K-H"	76.91904
"605801"	983.41314	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+2K-H"	76.91904
"1096523"	379.08374	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2K-H"	76.91904
"154065"	341.127858	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"2M+2K"	77.926316
"587796"	492.210208	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"3M+2K"	77.926316
"1076683"	190.045508	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2K"	77.926316
"1107705"	381.098292	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2K+H"	78.933592
"1340809"	381.185907	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+DMSO+H"	79.021207
"1007393"	385.225076	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2ACN+H"	83.060376
"1529649"	386.218708	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+IsoProp+Na+H"	84.054008
"1001563"	193.116176	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+2ACN+2H"	84.067652
"1599346"	387.133328	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+K+HCOOH"	84.968628
"1422820"	417.164838	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+H+CF3COOH"	115.000138
"1160763"	213.629451	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+3ACN+2H"	125.094202
"1710312"	434.191385	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+NH4+CF3COOH"	132.026685
"1648151"	439.14678	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+Na+CF3COOH"	136.98208
"1576147"	455.12072	"C20121"	"transtrans-Farnesyl phosphate;Farnesyl phosphate;(2E6E)-Farnesyl phosphate"	"C15H27O4P"	"302.1647"	"M+K+CF3COOH"	152.95602
"815991"	279.1048	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M"	0
"983328"	260.08641	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-H2O-H"	-19.01839
"75944"	185.062590666667	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M-3H"	-3.021828
"510038"	278.097524	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M-3H"	-3.021828
"884559"	92.0276573333333	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-3H"	-3.021828
"2040"	278.097524	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M-2H"	-2.014552
"445974"	417.649924	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M-2H"	-2.014552
"818063"	138.545124	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-2H"	-2.014552
"81944"	557.202324	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M-H"	-1.007276
"518830"	836.307124	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M-H"	-1.007276
"905505"	278.097524	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-H"	-1.007276
"58792"	574.228871	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M-2H+NH4"	16.019271
"493978"	853.333671	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M-2H+NH4"	16.019271
"865342"	295.124071	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-2H+NH4"	16.019271
"39683"	579.184266	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M-2H+Na"	20.974666
"477056"	858.289066	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M-2H+Na"	20.974666
"849386"	300.079466	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-2H+Na"	20.974666
"1619890"	300.079466	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Na-2H"	20.974666
"98736"	296.085863	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M-H+Cl"	33.962126
"536107"	435.638263	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M-H+Cl"	33.962126
"932906"	156.533463	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-H+Cl"	33.962126
"268303"	593.179002	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+Cl"	34.969402
"661818"	872.283802	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+Cl"	34.969402
"1275315"	314.074202	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Cl"	34.969402
"17748"	595.158206	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M-2H+K"	36.948606
"460591"	874.263006	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M-2H+K"	36.948606
"835471"	316.053406	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-2H+K"	36.948606
"1565530"	316.053406	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+K-2H"	36.948606
"949040"	324.102994	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-H+HCOOH"	44.998194
"366160"	603.207801	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+HCOOH-H"	44.998201
"350774"	617.223451	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+Hac-H"	59.013851
"1499608"	338.118651	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Hac-H"	59.013851
"965688"	346.084951	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-H+NaCOOH"	66.980151
"117160"	314.074202	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+2Cl"	69.938804
"557809"	453.626602	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+2Cl"	69.938804
"1033907"	174.521802	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2Cl"	69.938804
"1254941"	358.023685	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Br"	78.918885
"1309740"	360.079672	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Cl+HCOOH"	80.974872
"1329421"	382.061629	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Cl+NaCOOH"	102.956829
"917200"	392.090386	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M-H+CF3COOH"	112.985586
"1295000"	428.067064	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Cl+CF3COOH"	148.962264
"1377535"	244.092124	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H-2H2O"	-35.012676
"1393937"	262.1021	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H-H2O"	-17.0027
"294720"	559.216876	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+H"	1.007276
"690676"	838.321676	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+H"	1.007276
"1366408"	280.112076	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H"	1.007276
"141169"	280.112076	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+2H"	2.014552
"575941"	419.664476	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+2H"	2.014552
"1052646"	140.559676	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2H"	2.014552
"217015"	187.077142666667	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+3H"	3.021828
"658887"	280.112076	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+3H"	3.021828
"1175794"	94.0422093333333	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+3H"	3.021828
"439611"	576.243423	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+NH4"	18.033823
"801179"	855.348223	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+NH4"	18.033823
"1696814"	297.138623	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+NH4"	18.033823
"345461"	288.6253495	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+H+NH4"	19.041099
"738121"	428.1777495	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+H+NH4"	19.041099
"1491901"	149.0729495	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H+NH4"	19.041099
"407664"	581.198818	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+Na"	22.989218
"768780"	860.303618	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+Na"	22.989218
"1617848"	302.094018	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Na"	22.989218
"329431"	291.103047	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+H+Na"	23.996494
"722541"	430.655447	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+H+Na"	23.996494
"1476431"	151.550647	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H+Na"	23.996494
"1067856"	101.369523333333	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2H+Na"	25.00377
"1272493"	312.138286	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+CH3OH+H"	33.033486
"392766"	597.172758	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+K"	38.963158
"747273"	876.277558	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+K"	38.963158
"1544950"	318.067958	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+K"	38.963158
"302125"	299.090017	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+H+K"	39.970434
"703308"	438.642417	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+H+K"	39.970434
"1454944"	159.537617	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H+K"	39.970434
"248647"	600.243426	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+ACN+H"	42.033826
"1219534"	321.138626	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+ACN+H"	42.033826
"1205240"	161.072951	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+ACN+2H"	43.041102
"200664"	603.18076	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+2Na-H"	44.97116
"635848"	882.28556	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+2Na-H"	44.97116
"1134617"	324.07596	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2Na-H"	44.97116
"178635"	302.094018	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+2Na"	45.978436
"620382"	441.646418	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+2Na"	45.978436
"1125709"	162.541618	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2Na"	45.978436
"1405951"	108.696837333333	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H+2Na"	46.985712
"1431142"	326.117546	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H+HCOOH"	47.012746
"220470"	307.12704	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+3H2O+2H"	56.04448
"1508500"	340.16959	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+IsoProp+H"	61.06479
"408596"	310.080988	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+Na+K"	61.952376
"770217"	449.633388	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+Na+K"	61.952376
"1666393"	170.528588	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Na+K"	61.952376
"251581"	622.225368	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+ACN+Na"	64.015768
"1226479"	343.120568	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+ACN+Na"	64.015768
"1713174"	343.144093	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+NH4+HCOOH"	64.039293
"1181940"	116.024151333333	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+3Na"	68.967654
"1653291"	348.099488	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Na+HCOOH"	68.994688
"168537"	635.12864	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+2K-H"	76.91904
"605911"	914.23344	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+2K-H"	76.91904
"1097360"	356.02384	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2K-H"	76.91904
"155270"	318.067958	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"2M+2K"	77.926316
"595681"	457.620358	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"3M+2K"	77.926316
"1076795"	178.515558	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2K"	77.926316
"1110001"	358.038392	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2K+H"	78.933592
"1344199"	358.126007	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+DMSO+H"	79.021207
"1008354"	362.165176	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2ACN+H"	83.060376
"1528666"	363.158808	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+IsoProp+Na+H"	84.054008
"1001673"	181.586226	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+2ACN+2H"	84.067652
"1598363"	364.073428	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+K+HCOOH"	84.968628
"1422930"	394.104938	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+H+CF3COOH"	115.000138
"1159780"	202.099501	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+3ACN+2H"	125.094202
"1710422"	411.131485	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+NH4+CF3COOH"	132.026685
"1648261"	416.08688	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+Na+CF3COOH"	136.98208
"1576257"	432.06082	"C20122"	"Dibenzchacridine;14-Azadibenzajanthracene;34:56-Dibenzacridine"	"C21H13N"	"279.1048"	"M+K+CF3COOH"	152.95602
"815008"	215.8422	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M"	0
"983438"	196.82381	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-H2O-H"	-19.01839
"73868"	142.887524	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M-3H"	-3.021828
"506868"	214.834924	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M-3H"	-3.021828
"881023"	70.940124	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-3H"	-3.021828
"691"	214.834924	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M-2H"	-2.014552
"440126"	322.756024	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M-2H"	-2.014552
"817443"	106.913824	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-2H"	-2.014552
"80961"	430.677124	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M-H"	-1.007276
"519178"	646.519324	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M-H"	-1.007276
"896736"	214.834924	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-H"	-1.007276
"56713"	447.703671	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M-2H+NH4"	16.019271
"494088"	663.545871	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M-2H+NH4"	16.019271
"865331"	231.861471	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-2H+NH4"	16.019271
"36513"	452.659066	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M-2H+Na"	20.974666
"473886"	668.501266	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M-2H+Na"	20.974666
"848621"	236.816866	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-2H+Na"	20.974666
"1618705"	236.816866	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Na-2H"	20.974666
"98843"	232.823263	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M-H+Cl"	33.962126
"536217"	340.744363	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M-H+Cl"	33.962126
"931923"	124.902163	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-H+Cl"	33.962126
"268777"	466.653802	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+Cl"	34.969402
"661320"	682.496002	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+Cl"	34.969402
"1275668"	250.811602	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Cl"	34.969402
"17007"	468.633006	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M-2H+K"	36.948606
"460701"	684.475206	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M-2H+K"	36.948606
"833637"	252.790806	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-2H+K"	36.948606
"1565276"	252.790806	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+K-2H"	36.948606
"950973"	260.840394	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-H+HCOOH"	44.998194
"365906"	476.682601	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+HCOOH-H"	44.998201
"351979"	490.698251	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+Hac-H"	59.013851
"1500811"	274.856051	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Hac-H"	59.013851
"966163"	282.822351	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-H+NaCOOH"	66.980151
"118360"	250.811602	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+2Cl"	69.938804
"555732"	358.732702	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+2Cl"	69.938804
"1034747"	142.890502	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2Cl"	69.938804
"1247398"	294.761085	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Br"	78.918885
"1309850"	296.817072	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Cl+HCOOH"	80.974872
"1327345"	318.799029	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Cl+NaCOOH"	102.956829
"917310"	328.827786	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M-H+CF3COOH"	112.985586
"1295110"	364.804464	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Cl+CF3COOH"	148.962264
"1377645"	180.829524	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H-2H2O"	-35.012676
"1392954"	198.8395	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H-H2O"	-17.0027
"294830"	432.691676	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+H"	1.007276
"691353"	648.533876	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+H"	1.007276
"1364696"	216.849476	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H"	1.007276
"139407"	216.849476	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+2H"	2.014552
"576051"	324.770576	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+2H"	2.014552
"1052622"	108.928376	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2H"	2.014552
"216032"	144.902076	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+3H"	3.021828
"658510"	216.849476	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+3H"	3.021828
"1171528"	72.954676	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+3H"	3.021828
"439931"	449.718223	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+NH4"	18.033823
"801314"	665.560423	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+NH4"	18.033823
"1696970"	233.876023	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+NH4"	18.033823
"345675"	225.3627495	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+H+NH4"	19.041099
"738396"	333.2838495	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+H+NH4"	19.041099
"1492690"	117.4416495	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H+NH4"	19.041099
"408535"	454.673618	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+Na"	22.989218
"768521"	670.515818	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+Na"	22.989218
"1617594"	238.831418	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Na"	22.989218
"329936"	227.840447	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+H+Na"	23.996494
"722791"	335.761547	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+H+Na"	23.996494
"1476993"	119.919347	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H+Na"	23.996494
"1068362"	80.28199	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2H+Na"	25.00377
"1272682"	248.875686	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+CH3OH+H"	33.033486
"392221"	470.647558	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+K"	38.963158
"747382"	686.489758	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+K"	38.963158
"1547246"	254.805358	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+K"	38.963158
"303327"	235.827417	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+H+K"	39.970434
"700139"	343.748517	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+H+K"	39.970434
"1455054"	127.906317	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H+K"	39.970434
"245842"	473.718226	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+ACN+H"	42.033826
"1219644"	257.876026	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+ACN+H"	42.033826
"1203527"	129.441651	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+ACN+2H"	43.041102
"201138"	476.65556	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+2Na-H"	44.97116
"634865"	692.49776	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+2Na-H"	44.97116
"1133633"	260.81336	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2Na-H"	44.97116
"177651"	238.831418	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+2Na"	45.978436
"622315"	346.752518	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+2Na"	45.978436
"1124726"	130.910318	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2Na"	45.978436
"1409341"	87.609304	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H+2Na"	46.985712
"1430031"	262.854946	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H+HCOOH"	47.012746
"220254"	243.86444	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+3H2O+2H"	56.04448
"1508594"	276.90699	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+IsoProp+H"	61.06479
"408855"	246.818388	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+Na+K"	61.952376
"770108"	354.739488	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+Na+K"	61.952376
"1666018"	138.897288	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Na+K"	61.952376
"252905"	495.700168	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+ACN+Na"	64.015768
"1225981"	279.857968	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+ACN+Na"	64.015768
"1712885"	279.881493	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+NH4+HCOOH"	64.039293
"1183143"	94.936618	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+3Na"	68.967654
"1653037"	284.836888	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Na+HCOOH"	68.994688
"168647"	508.60344	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+2K-H"	76.91904
"606021"	724.44564	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+2K-H"	76.91904
"1097104"	292.76124	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2K-H"	76.91904
"156592"	254.805358	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"2M+2K"	77.926316
"596763"	362.726458	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"3M+2K"	77.926316
"1077999"	146.884258	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2K"	77.926316
"1110111"	294.775792	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2K+H"	78.933592
"1344309"	294.863407	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+DMSO+H"	79.021207
"1008464"	298.902576	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2ACN+H"	83.060376
"1527683"	299.896208	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+IsoProp+Na+H"	84.054008
"1001783"	149.954926	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+2ACN+2H"	84.067652
"1600659"	300.810828	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+K+HCOOH"	84.968628
"1425227"	330.842338	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+H+CF3COOH"	115.000138
"1159890"	170.468201	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+3ACN+2H"	125.094202
"1710532"	347.868885	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+NH4+CF3COOH"	132.026685
"1648371"	352.82428	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+Na+CF3COOH"	136.98208
"1576367"	368.79822	"C20123"	"Dibromoacetic acid;22-Dibromoacetic acid;DBAA"	"C2H2Br2O2"	"215.8422"	"M+K+CF3COOH"	152.95602
"815483"	234.0503	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M"	0
"983187"	215.03191	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-H2O-H"	-19.01839
"69605"	155.026257333333	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M-3H"	-3.021828
"506978"	233.043024	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M-3H"	-3.021828
"882592"	77.0094906666667	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-3H"	-3.021828
"470"	233.043024	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M-2H"	-2.014552
"441091"	350.068174	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M-2H"	-2.014552
"828370"	116.017874	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-2H"	-2.014552
"79370"	467.093324	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M-H"	-1.007276
"525735"	701.143624	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M-H"	-1.007276
"903538"	233.043024	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-H"	-1.007276
"56823"	484.119871	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M-2H+NH4"	16.019271
"494198"	718.170171	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M-2H+NH4"	16.019271
"866531"	250.069571	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-2H+NH4"	16.019271
"36623"	489.075266	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M-2H+Na"	20.974666
"473996"	723.125566	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M-2H+Na"	20.974666
"849610"	255.024966	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-2H+Na"	20.974666
"1618533"	255.024966	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Na-2H"	20.974666
"98953"	251.031363	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M-H+Cl"	33.962126
"536328"	368.056513	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M-H+Cl"	33.962126
"928752"	134.006213	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-H+Cl"	33.962126
"269494"	503.070002	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+Cl"	34.969402
"662282"	737.120302	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+Cl"	34.969402
"1274685"	269.019702	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Cl"	34.969402
"17968"	505.049206	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M-2H+K"	36.948606
"457894"	739.099506	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M-2H+K"	36.948606
"833058"	270.998906	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-2H+K"	36.948606
"1565386"	270.998906	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+K-2H"	36.948606
"952176"	279.048494	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-H+HCOOH"	44.998194
"367110"	513.098801	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+HCOOH-H"	44.998201
"353182"	527.114451	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+Hac-H"	59.013851
"1495817"	293.064151	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Hac-H"	59.013851
"966274"	301.030451	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-H+NaCOOH"	66.980151
"119563"	269.019702	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+2Cl"	69.938804
"555842"	386.044852	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+2Cl"	69.938804
"1036315"	151.994552	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2Cl"	69.938804
"1249694"	312.969185	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Br"	78.918885
"1308867"	315.025172	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Cl+HCOOH"	80.974872
"1327455"	337.007129	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Cl+NaCOOH"	102.956829
"917420"	347.035886	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M-H+CF3COOH"	112.985586
"1295220"	383.012564	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Cl+CF3COOH"	148.962264
"1377755"	199.037624	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H-2H2O"	-35.012676
"1393064"	217.0476	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H-H2O"	-17.0027
"294940"	469.107876	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+H"	1.007276
"690404"	703.158176	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+H"	1.007276
"1364806"	235.057576	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H"	1.007276
"139881"	235.057576	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+2H"	2.014552
"576161"	352.082726	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+2H"	2.014552
"1052503"	118.032426	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2H"	2.014552
"216142"	157.040809333333	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+3H"	3.021828
"654609"	235.057576	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+3H"	3.021828
"1170544"	79.0240426666667	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+3H"	3.021828
"439933"	486.134423	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+NH4"	18.033823
"799567"	720.184723	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+NH4"	18.033823
"1696631"	252.084123	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+NH4"	18.033823
"345547"	243.5708495	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+H+NH4"	19.041099
"738304"	360.5959995	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+H+NH4"	19.041099
"1492001"	126.5456995	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H+NH4"	19.041099
"406549"	491.089818	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+Na"	22.989218
"768879"	725.140118	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+Na"	22.989218
"1617824"	257.039518	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Na"	22.989218
"329837"	246.048547	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+H+Na"	23.996494
"722595"	363.073697	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+H+Na"	23.996494
"1477007"	129.023397	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H+Na"	23.996494
"1068434"	86.3513566666667	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2H+Na"	25.00377
"1271696"	267.083786	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+CH3OH+H"	33.033486
"391365"	507.063758	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+K"	38.963158
"752843"	741.114058	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+K"	38.963158
"1550274"	273.013458	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+K"	38.963158
"307085"	254.035517	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+H+K"	39.970434
"701343"	371.060667	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+H+K"	39.970434
"1450790"	137.010367	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H+K"	39.970434
"245951"	510.134426	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+ACN+H"	42.033826
"1220483"	276.084126	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+ACN+H"	42.033826
"1201449"	138.545701	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+ACN+2H"	43.041102
"198696"	513.07176	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+2Na-H"	44.97116
"636433"	747.12206	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+2Na-H"	44.97116
"1133743"	279.02146	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2Na-H"	44.97116
"176668"	257.039518	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+2Na"	45.978436
"613060"	374.064668	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+2Na"	45.978436
"1117914"	140.014368	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2Na"	45.978436
"1402531"	93.6786706666667	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H+2Na"	46.985712
"1430346"	281.063046	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H+HCOOH"	47.012746
"219990"	262.07254	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+3H2O+2H"	56.04448
"1508548"	295.11509	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+IsoProp+H"	61.06479
"408651"	265.026488	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+Na+K"	61.952376
"770001"	382.051638	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+Na+K"	61.952376
"1665604"	148.001338	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Na+K"	61.952376
"251837"	532.116368	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+ACN+Na"	64.015768
"1225840"	298.066068	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+ACN+Na"	64.015768
"1712734"	298.089593	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+NH4+HCOOH"	64.039293
"1182159"	101.005984666667	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+3Na"	68.967654
"1655333"	303.044988	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Na+HCOOH"	68.994688
"158916"	545.01964	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+2K-H"	76.91904
"612212"	779.06994	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+2K-H"	76.91904
"1097944"	310.96934	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2K-H"	76.91904
"155852"	273.013458	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"2M+2K"	77.926316
"595409"	390.038608	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"3M+2K"	77.926316
"1077744"	155.988308	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2K"	77.926316
"1110220"	312.983892	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2K+H"	78.933592
"1341139"	313.071507	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+DMSO+H"	79.021207
"1006994"	317.110676	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2ACN+H"	83.060376
"1527793"	318.104308	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+IsoProp+Na+H"	84.054008
"1000801"	159.058976	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+2ACN+2H"	84.067652
"1601134"	319.018928	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+K+HCOOH"	84.968628
"1428254"	349.050438	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+H+CF3COOH"	115.000138
"1162711"	179.572251	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+3ACN+2H"	125.094202
"1710278"	366.076985	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+NH4+CF3COOH"	132.026685
"1648117"	371.03238	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+Na+CF3COOH"	136.98208
"1576477"	387.00632	"C20124"	"Benzobnaphtho21-dthiophene;12-Benzo-9-thiafluorene"	"C16H10S"	"234.0503"	"M+K+CF3COOH"	152.95602
"816403"	184.0347	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M"	0
"983661"	165.01631	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-H2O-H"	-19.01839
"65341"	121.682524	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M-3H"	-3.021828
"503928"	183.027424	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M-3H"	-3.021828
"883795"	60.337624	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-3H"	-3.021828
"303"	183.027424	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M-2H"	-2.014552
"441930"	275.044774	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M-2H"	-2.014552
"826293"	91.010074	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-2H"	-2.014552
"81911"	367.062124	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M-H"	-1.007276
"520012"	551.096824	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M-H"	-1.007276
"898179"	183.027424	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-H"	-1.007276
"56933"	384.088671	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M-2H+NH4"	16.019271
"498683"	568.123371	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M-2H+NH4"	16.019271
"871014"	200.053971	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-2H+NH4"	16.019271
"36733"	389.044066	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M-2H+Na"	20.974666
"474106"	573.078766	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M-2H+Na"	20.974666
"849720"	205.009366	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-2H+Na"	20.974666
"1620346"	205.009366	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Na-2H"	20.974666
"99063"	201.015763	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M-H+Cl"	33.962126
"535587"	293.033113	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M-H+Cl"	33.962126
"930320"	108.998413	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-H+Cl"	33.962126
"267781"	403.038802	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+Cl"	34.969402
"661536"	587.073502	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+Cl"	34.969402
"1274794"	219.004102	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Cl"	34.969402
"19170"	405.018006	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M-2H+K"	36.948606
"457640"	589.052706	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M-2H+K"	36.948606
"833128"	220.983306	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-2H+K"	36.948606
"1564403"	220.983306	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+K-2H"	36.948606
"953380"	229.032894	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-H+HCOOH"	44.998194
"369407"	413.067601	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+HCOOH-H"	44.998201
"352199"	427.083251	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+Hac-H"	59.013851
"1499937"	243.048551	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Hac-H"	59.013851
"964562"	251.014851	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-H+NaCOOH"	66.980151
"119674"	219.004102	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+2Cl"	69.938804
"558139"	311.021452	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+2Cl"	69.938804
"1033508"	126.986752	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2Cl"	69.938804
"1247617"	262.953585	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Br"	78.918885
"1308977"	265.009572	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Cl+HCOOH"	80.974872
"1327565"	286.991529	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Cl+NaCOOH"	102.956829
"916437"	297.020286	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M-H+CF3COOH"	112.985586
"1292050"	332.996964	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Cl+CF3COOH"	148.962264
"1371305"	149.022024	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H-2H2O"	-35.012676
"1393174"	167.032	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H-H2O"	-17.0027
"288490"	369.076676	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+H"	1.007276
"690272"	553.111376	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+H"	1.007276
"1363823"	185.041976	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H"	1.007276
"138898"	185.041976	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+2H"	2.014552
"571896"	277.059326	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+2H"	2.014552
"1052450"	93.024626	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2H"	2.014552
"218563"	123.697076	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+3H"	3.021828
"654719"	185.041976	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+3H"	3.021828
"1168466"	62.352176	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+3H"	3.021828
"439579"	386.103223	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+NH4"	18.033823
"800528"	570.137923	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+NH4"	18.033823
"1696133"	202.068523	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+NH4"	18.033823
"345103"	193.5552495	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+H+NH4"	19.041099
"737925"	285.5725995	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+H+NH4"	19.041099
"1491259"	101.5378995	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H+NH4"	19.041099
"406294"	391.058618	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+Na"	22.989218
"768382"	575.093318	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+Na"	22.989218
"1616843"	207.023918	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Na"	22.989218
"328947"	196.032947	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+H+Na"	23.996494
"721487"	288.050297	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+H+Na"	23.996494
"1475668"	104.015597	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H+Na"	23.996494
"1067824"	69.67949	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2H+Na"	25.00377
"1271806"	217.068186	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+CH3OH+H"	33.033486
"391351"	407.032558	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+K"	38.963158
"751981"	591.067258	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+K"	38.963158
"1552571"	222.997858	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+K"	38.963158
"309016"	204.019917	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+H+K"	39.970434
"700360"	296.037267	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+H+K"	39.970434
"1450900"	112.002567	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H+K"	39.970434
"246061"	410.103226	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+ACN+H"	42.033826
"1218771"	226.068526	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+ACN+H"	42.033826
"1200467"	113.537901	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+ACN+2H"	43.041102
"201722"	413.04056	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+2Na-H"	44.97116
"636179"	597.07526	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+2Na-H"	44.97116
"1142235"	229.00586	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2Na-H"	44.97116
"184068"	207.023918	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+2Na"	45.978436
"614879"	299.041268	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+2Na"	45.978436
"1118024"	115.006568	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2Na"	45.978436
"1403005"	77.006804	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H+2Na"	46.985712
"1435118"	231.047446	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H+HCOOH"	47.012746
"221533"	212.05694	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+3H2O+2H"	56.04448
"1511783"	245.09949	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+IsoProp+H"	61.06479
"408673"	215.010888	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+Na+K"	61.952376
"770044"	307.028238	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+Na+K"	61.952376
"1666000"	122.993538	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Na+K"	61.952376
"252033"	432.085168	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+ACN+Na"	64.015768
"1225837"	248.050468	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+ACN+Na"	64.015768
"1715088"	248.073993	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+NH4+HCOOH"	64.039293
"1185549"	84.334118	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+3Na"	68.967654
"1658723"	253.029388	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Na+HCOOH"	68.994688
"165586"	444.98844	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+2K-H"	76.91904
"610622"	629.02314	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+2K-H"	76.91904
"1093679"	260.95374	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2K-H"	76.91904
"154137"	222.997858	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"2M+2K"	77.926316
"595155"	315.015208	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"3M+2K"	77.926316
"1077852"	130.980508	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2K"	77.926316
"1109236"	262.968292	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2K+H"	78.933592
"1341248"	263.055907	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+DMSO+H"	79.021207
"1010871"	267.095076	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2ACN+H"	83.060376
"1524623"	268.088708	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+IsoProp+Na+H"	84.054008
"999816"	134.051176	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+2ACN+2H"	84.067652
"1600515"	269.003328	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+K+HCOOH"	84.968628
"1428364"	299.034838	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+H+CF3COOH"	115.000138
"1161566"	154.564451	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+3ACN+2H"	125.094202
"1710388"	316.061385	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+NH4+CF3COOH"	132.026685
"1648591"	321.01678	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+Na+CF3COOH"	136.98208
"1576587"	336.99072	"C20125"	"Dibenzothiophene"	"C12H8S"	"184.0347"	"M+K+CF3COOH"	152.95602
"815703"	207.0895	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M"	0
"983771"	188.07111	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-H2O-H"	-19.01839
"67638"	137.052390666667	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M-3H"	-3.021828
"507197"	206.082224	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M-3H"	-3.021828
"886092"	68.0225573333333	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-3H"	-3.021828
"3572"	206.082224	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M-2H"	-2.014552
"443133"	309.626974	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M-2H"	-2.014552
"824217"	102.537474	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-2H"	-2.014552
"82021"	413.171724	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M-H"	-1.007276
"520483"	620.261224	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M-H"	-1.007276
"898653"	206.082224	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-H"	-1.007276
"53763"	430.198271	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M-2H+NH4"	16.019271
"495512"	637.287771	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M-2H+NH4"	16.019271
"873311"	223.108771	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-2H+NH4"	16.019271
"43399"	435.153666	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M-2H+Na"	20.974666
"477498"	642.243166	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M-2H+Na"	20.974666
"856390"	228.064166	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-2H+Na"	20.974666
"1627017"	228.064166	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Na-2H"	20.974666
"101360"	224.070563	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M-H+Cl"	33.962126
"543108"	327.615313	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M-H+Cl"	33.962126
"933347"	120.525813	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-H+Cl"	33.962126
"271902"	449.148402	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+Cl"	34.969402
"666509"	656.237902	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+Cl"	34.969402
"1277820"	242.058902	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Cl"	34.969402
"17579"	451.127606	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M-2H+K"	36.948606
"456168"	658.217106	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M-2H+K"	36.948606
"834086"	244.038106	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-2H+K"	36.948606
"1564513"	244.038106	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+K-2H"	36.948606
"955315"	252.087694	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-H+HCOOH"	44.998194
"369517"	459.177201	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+HCOOH-H"	44.998201
"355225"	473.192851	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+Hac-H"	59.013851
"1500047"	266.103351	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Hac-H"	59.013851
"970505"	274.069651	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-H+NaCOOH"	66.980151
"119784"	242.058902	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+2Cl"	69.938804
"557885"	345.603652	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+2Cl"	69.938804
"1033618"	138.514152	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2Cl"	69.938804
"1249913"	286.008385	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Br"	78.918885
"1316741"	288.064372	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Cl+HCOOH"	80.974872
"1333143"	310.046329	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Cl+NaCOOH"	102.956829
"926474"	320.075086	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M-H+CF3COOH"	112.985586
"1300907"	356.051764	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Cl+CF3COOH"	148.962264
"1380163"	172.076824	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H-2H2O"	-35.012676
"1395471"	190.0868	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H-H2O"	-17.0027
"295160"	415.186276	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+H"	1.007276
"690756"	622.275776	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+H"	1.007276
"1367023"	208.096776	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H"	1.007276
"140102"	208.096776	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+2H"	2.014552
"574193"	311.641526	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+2H"	2.014552
"1052606"	104.552026	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2H"	2.014552
"219158"	139.066942666667	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+3H"	3.021828
"654828"	208.096776	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+3H"	3.021828
"1167483"	70.0371093333333	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+3H"	3.021828
"439286"	432.212823	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+NH4"	18.033823
"800882"	639.302323	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+NH4"	18.033823
"1696484"	225.123323	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+NH4"	18.033823
"345249"	216.6100495	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+H+NH4"	19.041099
"738151"	320.1547995	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+H+NH4"	19.041099
"1492419"	113.0652995	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H+NH4"	19.041099
"408102"	437.168218	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+Na"	22.989218
"768972"	644.257718	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+Na"	22.989218
"1615852"	230.078718	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Na"	22.989218
"328319"	219.087747	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+H+Na"	23.996494
"721587"	322.632497	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+H+Na"	23.996494
"1473225"	115.542997	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H+Na"	23.996494
"1064282"	77.3644233333333	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2H+Na"	25.00377
"1270335"	240.122986	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+CH3OH+H"	33.033486
"391093"	453.142158	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+K"	38.963158
"752815"	660.231658	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+K"	38.963158
"1549763"	246.052658	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+K"	38.963158
"306939"	227.074717	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+H+K"	39.970434
"705572"	330.619467	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+H+K"	39.970434
"1457572"	123.529967	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H+K"	39.970434
"248360"	456.212826	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+ACN+H"	42.033826
"1222162"	249.123326	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+ACN+H"	42.033826
"1206774"	125.065301	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+ACN+2H"	43.041102
"200011"	459.15016	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+2Na-H"	44.97116
"638476"	666.23966	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+2Na-H"	44.97116
"1143803"	252.06066	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2Na-H"	44.97116
"185270"	230.078718	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+2Na"	45.978436
"624832"	333.623468	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+2Na"	45.978436
"1116918"	126.533968	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2Na"	45.978436
"1401292"	84.6917373333333	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H+2Na"	46.985712
"1431220"	254.102246	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H+HCOOH"	47.012746
"220083"	235.11174	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+3H2O+2H"	56.04448
"1508896"	268.15429	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+IsoProp+H"	61.06479
"408901"	238.065688	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+Na+K"	61.952376
"770504"	341.610438	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+Na+K"	61.952376
"1666717"	134.520938	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Na+K"	61.952376
"252505"	478.194768	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+ACN+Na"	64.015768
"1226674"	271.105268	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+ACN+Na"	64.015768
"1714834"	271.128793	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+NH4+HCOOH"	64.039293
"1179453"	92.0190513333333	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+3Na"	68.967654
"1649960"	276.084188	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Na+HCOOH"	68.994688
"161321"	491.09804	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+2K-H"	76.91904
"611455"	698.18754	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+2K-H"	76.91904
"1093061"	284.00854	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2K-H"	76.91904
"152427"	246.052658	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"2M+2K"	77.926316
"595629"	349.597408	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"3M+2K"	77.926316
"1078691"	142.507908	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2K"	77.926316
"1110805"	286.023092	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2K+H"	78.933592
"1344638"	286.110707	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+DMSO+H"	79.021207
"1013168"	290.149876	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2ACN+H"	83.060376
"1528014"	291.143508	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+IsoProp+Na+H"	84.054008
"1002844"	145.578576	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+2ACN+2H"	84.067652
"1600989"	292.058128	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+K+HCOOH"	84.968628
"1426652"	322.089638	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+H+CF3COOH"	115.000138
"1160947"	166.091851	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+3ACN+2H"	125.094202
"1710498"	339.116185	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+NH4+CF3COOH"	132.026685
"1648701"	344.07158	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+Na+CF3COOH"	136.98208
"1576697"	360.04552	"C20126"	"Methylone;2-(Methylamino)-1-(13-benzodioxol-5-yl)-1-propanone"	"C11H13NO3"	"207.0895"	"M+K+CF3COOH"	152.95602
"815813"	174.1157	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M"	0
"983881"	155.09731	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-H2O-H"	-19.01839
"66655"	115.069857333333	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M-3H"	-3.021828
"505119"	173.108424	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M-3H"	-3.021828
"885108"	57.0312906666667	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-3H"	-3.021828
"1495"	173.108424	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M-2H"	-2.014552
"442878"	260.166274	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M-2H"	-2.014552
"822141"	86.050574	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-2H"	-2.014552
"82131"	347.224124	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M-H"	-1.007276
"520107"	521.339824	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M-H"	-1.007276
"897667"	173.108424	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-H"	-1.007276
"49499"	364.250671	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M-2H+NH4"	16.019271
"493435"	538.366371	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M-2H+NH4"	16.019271
"867954"	190.134971	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-2H+NH4"	16.019271
"43509"	369.206066	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M-2H+Na"	20.974666
"474683"	543.321766	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M-2H+Na"	20.974666
"851275"	195.090366	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-2H+Na"	20.974666
"1627127"	195.090366	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Na-2H"	20.974666
"102563"	191.096763	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M-H+Cl"	33.962126
"536412"	278.154613	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M-H+Cl"	33.962126
"928716"	104.038913	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-H+Cl"	33.962126
"269460"	383.200802	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+Cl"	34.969402
"662610"	557.316502	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+Cl"	34.969402
"1275739"	209.085102	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Cl"	34.969402
"17930"	385.180006	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M-2H+K"	36.948606
"456762"	559.295706	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M-2H+K"	36.948606
"833224"	211.064306	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-2H+K"	36.948606
"1564623"	211.064306	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+K-2H"	36.948606
"946307"	219.113894	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-H+HCOOH"	44.998194
"368534"	393.229601	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+HCOOH-H"	44.998201
"354971"	407.245251	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+Hac-H"	59.013851
"1500157"	233.129551	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Hac-H"	59.013851
"969522"	241.095851	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-H+NaCOOH"	66.980151
"116610"	209.085102	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+2Cl"	69.938804
"560544"	296.142952	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+2Cl"	69.938804
"1027164"	122.027252	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2Cl"	69.938804
"1244554"	253.034585	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Br"	78.918885
"1318913"	255.090572	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Cl+HCOOH"	80.974872
"1331795"	277.072529	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Cl+NaCOOH"	102.956829
"925401"	287.101286	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M-H+CF3COOH"	112.985586
"1301016"	323.077964	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Cl+CF3COOH"	148.962264
"1380998"	139.103024	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H-2H2O"	-35.012676
"1397402"	157.113	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H-H2O"	-17.0027
"297580"	349.238676	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+H"	1.007276
"685502"	523.354376	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+H"	1.007276
"1362947"	175.122976	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H"	1.007276
"138022"	175.122976	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+2H"	2.014552
"574300"	262.180826	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+2H"	2.014552
"1052338"	88.065126	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2H"	2.014552
"219593"	117.084409333333	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+3H"	3.021828
"651655"	175.122976	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+3H"	3.021828
"1164313"	59.0458426666667	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+3H"	3.021828
"439923"	366.265223	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+NH4"	18.033823
"801289"	540.380923	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+NH4"	18.033823
"1696585"	192.149523	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+NH4"	18.033823
"345657"	183.6362495	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+H+NH4"	19.041099
"737282"	270.6940995	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+H+NH4"	19.041099
"1491835"	96.5783995	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H+NH4"	19.041099
"408333"	371.220618	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+Na"	22.989218
"767866"	545.336318	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+Na"	22.989218
"1615959"	197.104918	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Na"	22.989218
"324900"	186.113947	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+H+Na"	23.996494
"716229"	273.171797	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+H+Na"	23.996494
"1471148"	99.056097	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H+Na"	23.996494
"1065485"	66.3731566666667	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2H+Na"	25.00377
"1268258"	207.149186	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+CH3OH+H"	33.033486
"390110"	387.194558	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+K"	38.963158
"748917"	561.310258	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+K"	38.963158
"1547687"	213.078858	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+K"	38.963158
"303769"	194.100917	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+H+K"	39.970434
"706779"	281.158767	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+H+K"	39.970434
"1456589"	107.043067	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H+K"	39.970434
"249929"	390.265226	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+ACN+H"	42.033826
"1223731"	216.149526	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+ACN+H"	42.033826
"1207613"	108.578401	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+ACN+2H"	43.041102
"199029"	393.20256	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+2Na-H"	44.97116
"638586"	567.31826	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+2Na-H"	44.97116
"1143184"	219.08686	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2Na-H"	44.97116
"185380"	197.104918	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+2Na"	45.978436
"624942"	284.162768	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+2Na"	45.978436
"1119702"	110.047068	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2Na"	45.978436
"1401037"	73.7004706666667	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H+2Na"	46.985712
"1436432"	221.128446	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H+HCOOH"	47.012746
"222847"	202.13794	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+3H2O+2H"	56.04448
"1510910"	235.18049	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+IsoProp+H"	61.06479
"410109"	205.091888	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+Na+K"	61.952376
"771586"	292.149738	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+Na+K"	61.952376
"1667674"	118.034038	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Na+K"	61.952376
"254801"	412.247168	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+ACN+Na"	64.015768
"1227510"	238.131468	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+ACN+Na"	64.015768
"1713844"	238.154993	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+NH4+HCOOH"	64.039293
"1180655"	81.0277846666667	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+3Na"	68.967654
"1651286"	243.110388	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Na+HCOOH"	68.994688
"160336"	425.15044	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+2K-H"	76.91904
"603177"	599.26614	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+2K-H"	76.91904
"1092807"	251.03474	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2K-H"	76.91904
"153628"	213.078858	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"2M+2K"	77.926316
"593919"	300.136708	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"3M+2K"	77.926316
"1075156"	126.021008	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2K"	77.926316
"1109456"	253.049292	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2K+H"	78.933592
"1338188"	253.136907	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+DMSO+H"	79.021207
"1012185"	257.176076	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2ACN+H"	83.060376
"1527030"	258.169708	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+IsoProp+Na+H"	84.054008
"1000037"	129.091676	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+2ACN+2H"	84.067652
"1600735"	259.084328	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+K+HCOOH"	84.968628
"1427855"	289.115838	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+H+CF3COOH"	115.000138
"1161786"	149.604951	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+3ACN+2H"	125.094202
"1710608"	306.142385	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+NH4+CF3COOH"	132.026685
"1648811"	311.09778	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+Na+CF3COOH"	136.98208
"1576807"	327.07172	"C20127"	"alpha-Methyltryptamine;Indopan"	"C11H14N2"	"174.1157"	"M+K+CF3COOH"	152.95602
"816653"	236.214	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M"	0
"983991"	217.19561	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-H2O-H"	-19.01839
"71138"	156.468724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M-3H"	-3.021828
"507417"	235.206724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M-3H"	-3.021828
"886312"	77.730724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-3H"	-3.021828
"5979"	235.206724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M-2H"	-2.014552
"445540"	353.313724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M-2H"	-2.014552
"823343"	117.099724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-2H"	-2.014552
"82241"	471.420724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M-H"	-1.007276
"518646"	707.634724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M-H"	-1.007276
"897416"	235.206724	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-H"	-1.007276
"50702"	488.447271	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M-2H+NH4"	16.019271
"492450"	724.661271	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M-2H+NH4"	16.019271
"872438"	252.233271	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-2H+NH4"	16.019271
"46779"	493.402666	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M-2H+Na"	20.974666
"475524"	729.616666	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M-2H+Na"	20.974666
"851143"	257.188666	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-2H+Na"	20.974666
"1626144"	257.188666	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Na-2H"	20.974666
"102673"	253.195063	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M-H+Cl"	33.962126
"535307"	371.302063	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M-H+Cl"	33.962126
"929190"	135.088063	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-H+Cl"	33.962126
"269570"	507.397402	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+Cl"	34.969402
"662356"	743.611402	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+Cl"	34.969402
"1274393"	271.183402	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Cl"	34.969402
"16946"	509.376606	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M-2H+K"	36.948606
"455860"	745.590606	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M-2H+K"	36.948606
"833376"	273.162606	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-2H+K"	36.948606
"1560722"	273.162606	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+K-2H"	36.948606
"946417"	281.212194	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-H+HCOOH"	44.998194
"368644"	517.426201	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+HCOOH-H"	44.998201
"351799"	531.441851	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+Hac-H"	59.013851
"1500267"	295.227851	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Hac-H"	59.013851
"963069"	303.194151	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-H+NaCOOH"	66.980151
"116720"	271.183402	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+2Cl"	69.938804
"555550"	389.290402	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+2Cl"	69.938804
"1027274"	153.076402	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2Cl"	69.938804
"1245757"	315.132885	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Br"	78.918885
"1314767"	317.188872	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Cl+HCOOH"	80.974872
"1332269"	339.170829	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Cl+NaCOOH"	102.956829
"925511"	349.199586	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M-H+CF3COOH"	112.985586
"1301126"	385.176264	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Cl+CF3COOH"	148.962264
"1381110"	201.201324	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H-2H2O"	-35.012676
"1396419"	219.2113	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H-H2O"	-17.0027
"297568"	473.435276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+H"	1.007276
"684519"	709.649276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+H"	1.007276
"1365244"	237.221276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H"	1.007276
"138132"	237.221276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+2H"	2.014552
"574410"	355.328276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+2H"	2.014552
"1052569"	119.114276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2H"	2.014552
"219582"	158.483276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+3H"	3.021828
"653952"	237.221276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+3H"	3.021828
"1165516"	79.745276	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+3H"	3.021828
"439750"	490.461823	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+NH4"	18.033823
"801226"	726.675823	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+NH4"	18.033823
"1696333"	254.247823	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+NH4"	18.033823
"344614"	245.7345495	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+H+NH4"	19.041099
"737761"	363.8415495	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+H+NH4"	19.041099
"1490855"	127.6275495	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H+NH4"	19.041099
"407349"	495.417218	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+Na"	22.989218
"767612"	731.631218	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+Na"	22.989218
"1617162"	259.203218	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Na"	22.989218
"326103"	248.212247	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+H+Na"	23.996494
"716339"	366.319247	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+H+Na"	23.996494
"1476443"	130.105247	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H+Na"	23.996494
"1066686"	87.07259	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2H+Na"	25.00377
"1268363"	269.247486	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+CH3OH+H"	33.033486
"388032"	511.391158	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+K"	38.963158
"749025"	747.605158	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+K"	38.963158
"1546703"	275.177158	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+K"	38.963158
"304973"	256.199217	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+H+K"	39.970434
"705066"	374.306217	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+H+K"	39.970434
"1457792"	138.092217	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H+K"	39.970434
"248580"	514.461826	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+ACN+H"	42.033826
"1221289"	278.247826	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+ACN+H"	42.033826
"1207723"	139.627551	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+ACN+2H"	43.041102
"202781"	517.39916	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+2Na-H"	44.97116
"640883"	753.61316	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+2Na-H"	44.97116
"1146209"	281.18516	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2Na-H"	44.97116
"186948"	259.203218	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+2Na"	45.978436
"625051"	377.310218	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+2Na"	45.978436
"1125278"	141.096218	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2Na"	45.978436
"1400661"	94.399904	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H+2Na"	46.985712
"1437637"	283.226746	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H+HCOOH"	47.012746
"226237"	264.23624	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+3H2O+2H"	56.04448
"1511020"	297.27879	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+IsoProp+H"	61.06479
"410707"	267.190188	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+Na+K"	61.952376
"771336"	385.297188	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+Na+K"	61.952376
"1666939"	149.083188	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Na+K"	61.952376
"253820"	536.443768	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+ACN+Na"	64.015768
"1228717"	300.229768	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+ACN+Na"	64.015768
"1715779"	300.253293	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+NH4+HCOOH"	64.039293
"1180765"	101.727218	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+3Na"	68.967654
"1652491"	305.208688	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Na+HCOOH"	68.994688
"162633"	549.34704	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+2K-H"	76.91904
"605474"	785.56104	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+2K-H"	76.91904
"1093280"	313.13304	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2K-H"	76.91904
"154104"	275.177158	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"2M+2K"	77.926316
"594756"	393.284158	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"3M+2K"	77.926316
"1078181"	157.070158	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2K"	77.926316
"1107379"	315.147592	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2K+H"	78.933592
"1338298"	315.235207	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+DMSO+H"	79.021207
"1006823"	319.274376	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2ACN+H"	83.060376
"1528233"	320.268008	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+IsoProp+Na+H"	84.054008
"1000148"	160.140826	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+2ACN+2H"	84.067652
"1601574"	321.182628	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+K+HCOOH"	84.968628
"1425778"	351.214138	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+H+CF3COOH"	115.000138
"1162383"	180.654101	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+3ACN+2H"	125.094202
"1710718"	368.240685	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+NH4+CF3COOH"	132.026685
"1645641"	373.19608	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+Na+CF3COOH"	136.98208
"1576917"	389.17002	"C20128"	"Bombykal;(ZE)-1012-Hexadecadienal"	"C16H28O"	"236.214"	"M+K+CF3COOH"	152.95602
"814941"	308.1049	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M"	0
"984101"	289.08651	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-H2O-H"	-19.01839
"70155"	204.395990666667	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M-3H"	-3.021828
"506798"	307.097624	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M-3H"	-3.021828
"885329"	101.694357333333	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-3H"	-3.021828
"2808"	307.097624	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M-2H"	-2.014552
"444557"	461.150074	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M-2H"	-2.014552
"826734"	153.045174	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-2H"	-2.014552
"82351"	615.202524	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M-H"	-1.007276
"518665"	923.307424	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M-H"	-1.007276
"896433"	307.097624	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-H"	-1.007276
"51905"	632.229071	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M-2H+NH4"	16.019271
"500212"	940.333971	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M-2H+NH4"	16.019271
"875827"	324.124171	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-2H+NH4"	16.019271
"40449"	637.184466	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M-2H+Na"	20.974666
"473811"	945.289366	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M-2H+Na"	20.974666
"850160"	329.079566	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-2H+Na"	20.974666
"1620786"	329.079566	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Na-2H"	20.974666
"97313"	325.085963	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M-H+Cl"	33.962126
"536147"	479.138413	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M-H+Cl"	33.962126
"927598"	171.033513	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-H+Cl"	33.962126
"271137"	651.179202	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+Cl"	34.969402
"662830"	959.284102	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+Cl"	34.969402
"1274137"	343.074302	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Cl"	34.969402
"16207"	653.158406	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M-2H+K"	36.948606
"456256"	961.263306	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M-2H+K"	36.948606
"833691"	345.053506	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-2H+K"	36.948606
"1560101"	345.053506	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+K-2H"	36.948606
"945797"	353.103094	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-H+HCOOH"	44.998194
"368754"	661.208001	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+HCOOH-H"	44.998201
"350452"	675.223651	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+Hac-H"	59.013851
"1499284"	367.118751	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Hac-H"	59.013851
"963179"	375.085051	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-H+NaCOOH"	66.980151
"116830"	343.074302	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+2Cl"	69.938804
"554203"	497.126752	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+2Cl"	69.938804
"1027384"	189.021852	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2Cl"	69.938804
"1245867"	387.023785	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Br"	78.918885
"1313784"	389.079772	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Cl+HCOOH"	80.974872
"1334809"	411.061729	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Cl+NaCOOH"	102.956829
"925621"	421.090486	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M-H+CF3COOH"	112.985586
"1303909"	457.067164	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Cl+CF3COOH"	148.962264
"1381948"	273.092224	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H-2H2O"	-35.012676
"1397947"	291.1022	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H-H2O"	-17.0027
"297921"	617.217076	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+H"	1.007276
"685722"	925.321976	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+H"	1.007276
"1366083"	309.112176	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H"	1.007276
"138242"	309.112176	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+2H"	2.014552
"574520"	463.164626	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+2H"	2.014552
"1052317"	155.059726	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2H"	2.014552
"218879"	206.410542666667	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+3H"	3.021828
"654062"	309.112176	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+3H"	3.021828
"1165626"	103.708909333333	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+3H"	3.021828
"439778"	634.243623	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+NH4"	18.033823
"800966"	942.348523	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+NH4"	18.033823
"1696444"	326.138723	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+NH4"	18.033823
"345570"	317.6254495	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+H+NH4"	19.041099
"738504"	471.6778995	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+H+NH4"	19.041099
"1491691"	163.5729995	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H+NH4"	19.041099
"408026"	639.199018	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+Na"	22.989218
"768086"	947.303918	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+Na"	22.989218
"1616179"	331.094118	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Na"	22.989218
"326213"	320.103147	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+H+Na"	23.996494
"716449"	474.155597	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+H+Na"	23.996494
"1475376"	166.050697	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H+Na"	23.996494
"1066796"	111.036223333333	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2H+Na"	25.00377
"1266285"	341.138386	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+CH3OH+H"	33.033486
"385953"	655.172958	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+K"	38.963158
"745855"	963.277858	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+K"	38.963158
"1546813"	347.068058	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+K"	38.963158
"303988"	328.090117	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+H+K"	39.970434
"705176"	482.142567	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+H+K"	39.970434
"1457902"	174.037667	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H+K"	39.970434
"248325"	658.243626	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+ACN+H"	42.033826
"1223947"	350.138726	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+ACN+H"	42.033826
"1205282"	175.573001	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+ACN+2H"	43.041102
"200706"	661.18096	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+2Na-H"	44.97116
"638808"	969.28586	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+2Na-H"	44.97116
"1145226"	353.07606	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2Na-H"	44.97116
"185237"	331.094118	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+2Na"	45.978436
"625161"	485.146568	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+2Na"	45.978436
"1125387"	177.041668	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2Na"	45.978436
"1401621"	118.363537333333	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H+2Na"	46.985712
"1433006"	355.117646	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H+HCOOH"	47.012746
"223066"	336.12714	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+3H2O+2H"	56.04448
"1511495"	369.16969	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+IsoProp+H"	61.06479
"409112"	339.081088	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+Na+K"	61.952376
"771445"	493.133538	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+Na+K"	61.952376
"1667411"	185.028638	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Na+K"	61.952376
"253929"	680.225568	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+ACN+Na"	64.015768
"1227367"	372.120668	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+ACN+Na"	64.015768
"1715523"	372.144193	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+NH4+HCOOH"	64.039293
"1179417"	125.690851333333	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+3Na"	68.967654
"1652601"	377.099588	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Na+HCOOH"	68.994688
"162743"	693.12884	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+2K-H"	76.91904
"602304"	1001.23374	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+2K-H"	76.91904
"1095212"	385.02394	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2K-H"	76.91904
"155306"	347.068058	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"2M+2K"	77.926316
"595229"	501.120508	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"3M+2K"	77.926316
"1076468"	193.015608	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2K"	77.926316
"1104209"	387.038492	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2K+H"	78.933592
"1338408"	387.126107	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+DMSO+H"	79.021207
"1007179"	391.165276	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2ACN+H"	83.060376
"1528343"	392.158908	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+IsoProp+Na+H"	84.054008
"999164"	196.086276	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+2ACN+2H"	84.067652
"1600225"	393.073528	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+K+HCOOH"	84.968628
"1425888"	423.105038	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+H+CF3COOH"	115.000138
"1162453"	216.599551	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+3ACN+2H"	125.094202
"1711192"	440.131585	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+NH4+CF3COOH"	132.026685
"1645751"	445.08698	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+Na+CF3COOH"	136.98208
"1577027"	461.06092	"C20129"	"(S)-Warfarin"	"C19H16O4"	"308.1049"	"M+K+CF3COOH"	152.95602
"815779"	218.1055	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M"	0
"984211"	199.08711	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-H2O-H"	-19.01839
"70265"	144.396390666667	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M-3H"	-3.021828
"505451"	217.098224	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M-3H"	-3.021828
"883252"	71.6945573333333	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-3H"	-3.021828
"2189"	217.098224	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M-2H"	-2.014552
"445760"	326.150974	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M-2H"	-2.014552
"825751"	108.045474	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-2H"	-2.014552
"83555"	435.203724	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M-H"	-1.007276
"518862"	653.309224	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M-H"	-1.007276
"898730"	217.098224	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-H"	-1.007276
"48977"	452.230271	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M-2H+NH4"	16.019271
"494855"	670.335771	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M-2H+NH4"	16.019271
"877519"	234.124771	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-2H+NH4"	16.019271
"38372"	457.185666	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M-2H+Na"	20.974666
"472460"	675.291166	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M-2H+Na"	20.974666
"850270"	239.080166	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-2H+Na"	20.974666
"1621261"	239.080166	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Na-2H"	20.974666
"97424"	235.086563	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M-H+Cl"	33.962126
"535163"	344.139313	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M-H+Cl"	33.962126
"927216"	126.033813	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-H+Cl"	33.962126
"267436"	471.180402	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+Cl"	34.969402
"660178"	689.285902	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+Cl"	34.969402
"1273475"	253.074902	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Cl"	34.969402
"16027"	473.159606	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M-2H+K"	36.948606
"457215"	691.265106	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M-2H+K"	36.948606
"832913"	255.054106	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-2H+K"	36.948606
"1556440"	255.054106	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+K-2H"	36.948606
"944082"	263.103694	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-H+HCOOH"	44.998194
"364122"	481.209201	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+HCOOH-H"	44.998201
"349103"	495.224851	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+Hac-H"	59.013851
"1497208"	277.119351	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Hac-H"	59.013851
"962924"	285.085651	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-H+NaCOOH"	66.980151
"113660"	253.074902	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+2Cl"	69.938804
"553217"	362.127652	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+2Cl"	69.938804
"1028585"	144.022152	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2Cl"	69.938804
"1250350"	297.024385	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Br"	78.918885
"1313894"	299.080372	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Cl+HCOOH"	80.974872
"1331396"	321.062329	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Cl+NaCOOH"	102.956829
"924638"	331.091086	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M-H+CF3COOH"	112.985586
"1303736"	367.067764	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Cl+CF3COOH"	148.962264
"1382183"	183.092824	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H-2H2O"	-35.012676
"1397003"	201.1028	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H-H2O"	-17.0027
"296329"	437.218276	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+H"	1.007276
"683646"	655.323776	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+H"	1.007276
"1364371"	219.112776	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H"	1.007276
"137259"	219.112776	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+2H"	2.014552
"575723"	328.165526	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+2H"	2.014552
"1052547"	110.060026	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2H"	2.014552
"218258"	146.410942666667	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+3H"	3.021828
"654172"	219.112776	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+3H"	3.021828
"1165736"	73.7091093333333	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+3H"	3.021828
"439232"	454.244823	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+NH4"	18.033823
"801197"	672.350323	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+NH4"	18.033823
"1696430"	236.139323	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+NH4"	18.033823
"344950"	227.6260495	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+H+NH4"	19.041099
"738099"	336.6787995	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+H+NH4"	19.041099
"1491436"	118.5732995	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H+NH4"	19.041099
"405014"	459.200218	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+Na"	22.989218
"764917"	677.305718	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+Na"	22.989218
"1613009"	241.094718	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Na"	22.989218
"324137"	230.103747	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+H+Na"	23.996494
"716559"	339.156497	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+H+Na"	23.996494
"1471474"	121.050997	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H+Na"	23.996494
"1064719"	81.0364233333333	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2H+Na"	25.00377
"1266395"	251.138986	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+CH3OH+H"	33.033486
"382052"	475.174158	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+K"	38.963158
"742683"	693.279658	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+K"	38.963158
"1542548"	257.068658	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+K"	38.963158
"299358"	238.090717	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+H+K"	39.970434
"700908"	347.143467	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+H+K"	39.970434
"1455823"	129.037967	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H+K"	39.970434
"246246"	478.244826	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+ACN+H"	42.033826
"1221141"	260.139326	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+ACN+H"	42.033826
"1196642"	130.573301	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+ACN+2H"	43.041102
"198262"	481.18216	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+2Na-H"	44.97116
"631261"	699.28766	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+2Na-H"	44.97116
"1139141"	263.07666	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2Na-H"	44.97116
"184253"	241.094718	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+2Na"	45.978436
"619075"	350.147468	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+2Na"	45.978436
"1117477"	132.041968	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2Na"	45.978436
"1398935"	88.3637373333333	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H+2Na"	46.985712
"1431658"	265.118246	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H+HCOOH"	47.012746
"220454"	246.12774	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+3H2O+2H"	56.04448
"1511605"	279.17029	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+IsoProp+H"	61.06479
"409100"	249.081688	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+Na+K"	61.952376
"770826"	358.134438	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+Na+K"	61.952376
"1666220"	140.028938	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Na+K"	61.952376
"252579"	500.226768	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+ACN+Na"	64.015768
"1226217"	282.121268	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+ACN+Na"	64.015768
"1713078"	282.144793	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+NH4+HCOOH"	64.039293
"1179038"	95.6910513333333	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+3Na"	68.967654
"1652711"	287.100188	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Na+HCOOH"	68.994688
"160666"	513.13004	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+2K-H"	76.91904
"602414"	731.23554	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+2K-H"	76.91904
"1092405"	295.02454	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2K-H"	76.91904
"151042"	257.068658	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"2M+2K"	77.926316
"592059"	366.121408	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"3M+2K"	77.926316
"1074392"	148.015908	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2K"	77.926316
"1104319"	297.039092	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2K+H"	78.933592
"1338518"	297.126707	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+DMSO+H"	79.021207
"1006559"	301.165876	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2ACN+H"	83.060376
"1528453"	302.159508	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+IsoProp+Na+H"	84.054008
"1000367"	151.086576	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+2ACN+2H"	84.067652
"1600335"	303.074128	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+K+HCOOH"	84.968628
"1425998"	333.105638	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+H+CF3COOH"	115.000138
"1162239"	171.599851	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+3ACN+2H"	125.094202
"1710938"	350.132185	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+NH4+CF3COOH"	132.026685
"1645861"	355.08758	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+Na+CF3COOH"	136.98208
"1577137"	371.06152	"C20130"	"(S)-Mephenytoin"	"C12H14N2O2"	"218.1055"	"M+K+CF3COOH"	152.95602
"816787"	218.1392	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M"	0
"984321"	199.12081	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-H2O-H"	-19.01839
"70375"	144.418857333333	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M-3H"	-3.021828
"505561"	217.131924	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M-3H"	-3.021828
"883362"	71.7057906666667	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-3H"	-3.021828
"1935"	217.131924	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M-2H"	-2.014552
"445870"	326.201524	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M-2H"	-2.014552
"826954"	108.062324	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-2H"	-2.014552
"84758"	435.271124	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M-H"	-1.007276
"521401"	653.410324	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M-H"	-1.007276
"898840"	217.131924	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-H"	-1.007276
"49087"	452.297671	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M-2H+NH4"	16.019271
"494965"	670.436871	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M-2H+NH4"	16.019271
"877506"	234.158471	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-2H+NH4"	16.019271
"38482"	457.253066	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M-2H+Na"	20.974666
"472935"	675.392266	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M-2H+Na"	20.974666
"850501"	239.113866	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-2H+Na"	20.974666
"1624286"	239.113866	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Na-2H"	20.974666
"96805"	235.120263	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M-H+Cl"	33.962126
"534663"	344.189863	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M-H+Cl"	33.962126
"927733"	126.050663	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-H+Cl"	33.962126
"267588"	471.247802	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+Cl"	34.969402
"660736"	689.387002	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+Cl"	34.969402
"1273748"	253.108602	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Cl"	34.969402
"16664"	473.227006	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M-2H+K"	36.948606
"455742"	691.366206	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M-2H+K"	36.948606
"833456"	255.087806	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-2H+K"	36.948606
"1556672"	255.087806	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+K-2H"	36.948606
"944192"	263.137394	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-H+HCOOH"	44.998194
"361647"	481.276601	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+HCOOH-H"	44.998201
"346657"	495.292251	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+Hac-H"	59.013851
"1496587"	277.153051	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Hac-H"	59.013851
"961575"	285.119351	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-H+NaCOOH"	66.980151
"113032"	253.108602	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+2Cl"	69.938804
"550526"	362.178202	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+2Cl"	69.938804
"1023218"	144.039002	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2Cl"	69.938804
"1243892"	297.058085	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Br"	78.918885
"1311817"	299.114072	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Cl+HCOOH"	80.974872
"1335272"	321.096029	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Cl+NaCOOH"	102.956829
"925720"	331.124786	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M-H+CF3COOH"	112.985586
"1303605"	367.101464	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Cl+CF3COOH"	148.962264
"1381561"	183.126524	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H-2H2O"	-35.012676
"1393831"	201.1365	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H-H2O"	-17.0027
"295708"	437.285676	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+H"	1.007276
"682662"	655.424876	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+H"	1.007276
"1362292"	219.146476	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H"	1.007276
"132993"	219.146476	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+2H"	2.014552
"574740"	328.216076	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+2H"	2.014552
"1051927"	110.076876	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2H"	2.014552
"215815"	146.433409333333	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+3H"	3.021828
"648814"	219.146476	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+3H"	3.021828
"1165476"	73.7203426666667	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+3H"	3.021828
"439627"	454.312223	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+NH4"	18.033823
"801062"	672.451423	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+NH4"	18.033823
"1696541"	236.173023	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+NH4"	18.033823
"345470"	227.6597495	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+H+NH4"	19.041099
"737970"	336.7293495	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+H+NH4"	19.041099
"1491906"	118.5901495	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H+NH4"	19.041099
"406582"	459.267618	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+Na"	22.989218
"768910"	677.406818	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+Na"	22.989218
"1617248"	241.128418	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Na"	22.989218
"324246"	230.137447	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+H+Na"	23.996494
"718855"	339.207047	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+H+Na"	23.996494
"1471584"	121.067847	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H+Na"	23.996494
"1063734"	81.0476566666667	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2H+Na"	25.00377
"1265412"	251.172686	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+CH3OH+H"	33.033486
"385074"	475.241558	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+K"	38.963158
"742790"	693.380758	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+K"	38.963158
"1545937"	257.102358	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+K"	38.963158
"302385"	238.124417	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+H+K"	39.970434
"702112"	347.194017	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+H+K"	39.970434
"1455568"	129.054817	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H+K"	39.970434
"246356"	478.312226	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+ACN+H"	42.033826
"1220521"	260.173026	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+ACN+H"	42.033826
"1201125"	130.590151	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+ACN+2H"	43.041102
"192905"	481.24956	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+2Na-H"	44.97116
"634652"	699.38876	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+2Na-H"	44.97116
"1137063"	263.11036	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2Na-H"	44.97116
"180354"	241.128418	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+2Na"	45.978436
"618821"	350.198018	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+2Na"	45.978436
"1116858"	132.058818	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2Na"	45.978436
"1398878"	88.3749706666667	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H+2Na"	46.985712
"1431038"	265.151946	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H+HCOOH"	47.012746
"220448"	246.16144	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+3H2O+2H"	56.04448
"1508828"	279.20399	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+IsoProp+H"	61.06479
"408606"	249.115388	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+Na+K"	61.952376
"770447"	358.184988	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+Na+K"	61.952376
"1665797"	140.045788	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Na+K"	61.952376
"251448"	500.294168	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+ACN+Na"	64.015768
"1225911"	282.154968	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+ACN+Na"	64.015768
"1712813"	282.178493	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+NH4+HCOOH"	64.039293
"1178938"	95.7022846666667	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+3Na"	68.967654
"1652089"	287.133888	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Na+HCOOH"	68.994688
"160045"	513.19744	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+2K-H"	76.91904
"600696"	731.33664	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+2K-H"	76.91904
"1092150"	295.05824	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2K-H"	76.91904
"150421"	257.102358	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"2M+2K"	77.926316
"588887"	366.171958	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"3M+2K"	77.926316
"1072314"	148.032758	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2K"	77.926316
"1101269"	297.072792	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2K+H"	78.933592
"1335662"	297.160407	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+DMSO+H"	79.021207
"1005818"	301.199576	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2ACN+H"	83.060376
"1527469"	302.193208	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+IsoProp+Na+H"	84.054008
"998289"	151.103426	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+2ACN+2H"	84.067652
"1597165"	303.107828	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+K+HCOOH"	84.968628
"1422825"	333.139338	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+H+CF3COOH"	115.000138
"1159673"	171.616701	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+3ACN+2H"	125.094202
"1708132"	350.165885	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+NH4+CF3COOH"	132.026685
"1637222"	355.12128	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+Na+CF3COOH"	136.98208
"1573967"	371.09522	"C20131"	"Aclatonium"	"C10H20NO4"	"218.1392"	"M+K+CF3COOH"	152.95602
"816898"	441.1788	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M"	0
"988806"	422.16041	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-H2O-H"	-19.01839
"78455"	293.111924	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M-3H"	-3.021828
"510045"	440.171524	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M-3H"	-3.021828
"892219"	146.052324	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-3H"	-3.021828
"10793"	440.171524	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M-2H"	-2.014552
"449260"	660.760924	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M-2H"	-2.014552
"828158"	219.582124	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-2H"	-2.014552
"85962"	881.350324	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M-H"	-1.007276
"521148"	1322.529124	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M-H"	-1.007276
"902230"	440.171524	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-H"	-1.007276
"51142"	898.376871	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M-2H+NH4"	16.019271
"498355"	1339.555671	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M-2H+NH4"	16.019271
"878345"	457.198071	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-2H+NH4"	16.019271
"40779"	903.332266	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M-2H+Na"	20.974666
"472195"	1344.511066	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M-2H+Na"	20.974666
"849514"	462.153466	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-2H+Na"	20.974666
"1619655"	462.153466	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Na-2H"	20.974666
"98737"	458.159863	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M-H+Cl"	33.962126
"535505"	678.749263	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M-H+Cl"	33.962126
"932911"	237.570463	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-H+Cl"	33.962126
"268915"	917.327002	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+Cl"	34.969402
"660846"	1358.505802	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+Cl"	34.969402
"1273858"	476.148202	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Cl"	34.969402
"16288"	919.306206	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M-2H+K"	36.948606
"463148"	1360.485006	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M-2H+K"	36.948606
"832908"	478.127406	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-2H+K"	36.948606
"1557876"	478.127406	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+K-2H"	36.948606
"945395"	486.176994	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-H+HCOOH"	44.998194
"363977"	927.355801	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+HCOOH-H"	44.998201
"350416"	941.371451	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+Hac-H"	59.013851
"1496696"	500.192651	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Hac-H"	59.013851
"961320"	508.158951	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-H+NaCOOH"	66.980151
"111197"	476.148202	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+2Cl"	69.938804
"553433"	696.737602	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+2Cl"	69.938804
"1026247"	255.558802	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2Cl"	69.938804
"1245826"	520.097685	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Br"	78.918885
"1316300"	522.153672	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Cl+HCOOH"	80.974872
"1334654"	544.135629	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Cl+NaCOOH"	102.956829
"925958"	554.164386	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M-H+CF3COOH"	112.985586
"1302908"	590.141064	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Cl+CF3COOH"	148.962264
"1381922"	406.166124	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H-2H2O"	-35.012676
"1398320"	424.1761	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H-H2O"	-17.0027
"295818"	883.364876	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+H"	1.007276
"686052"	1324.543676	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+H"	1.007276
"1362402"	442.186076	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H"	1.007276
"134196"	442.186076	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+2H"	2.014552
"572663"	662.775476	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+2H"	2.014552
"1051672"	221.596676	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2H"	2.014552
"214831"	295.126476	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+3H"	3.021828
"648924"	442.186076	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+3H"	3.021828
"1168138"	148.066876	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+3H"	3.021828
"439699"	900.391423	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+NH4"	18.033823
"800930"	1341.570223	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+NH4"	18.033823
"1696406"	459.212623	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+NH4"	18.033823
"345050"	450.6993495	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+H+NH4"	19.041099
"738040"	671.2887495	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+H+NH4"	19.041099
"1492302"	230.1099495	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H+NH4"	19.041099
"406575"	905.346818	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+Na"	22.989218
"768415"	1346.525618	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+Na"	22.989218
"1618170"	464.168018	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Na"	22.989218
"327637"	453.177047	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+H+Na"	23.996494
"720059"	673.766447	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+H+Na"	23.996494
"1471694"	232.587647	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H+Na"	23.996494
"1064938"	155.39419	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2H+Na"	25.00377
"1265522"	474.212286	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+CH3OH+H"	33.033486
"385184"	921.320758	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+K"	38.963158
"743993"	1362.499558	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+K"	38.963158
"1547141"	480.141958	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+K"	38.963158
"304318"	461.164017	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+H+K"	39.970434
"703316"	681.753417	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+H+K"	39.970434
"1454951"	240.574617	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H+K"	39.970434
"246829"	924.391426	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+ACN+H"	42.033826
"1220631"	483.212626	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+ACN+H"	42.033826
"1204517"	242.109951	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+ACN+2H"	43.041102
"199577"	927.32876	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+2Na-H"	44.97116
"639137"	1368.50756	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+2Na-H"	44.97116
"1142641"	486.14996	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2Na-H"	44.97116
"186661"	464.168018	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+2Na"	45.978436
"623307"	684.757418	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+2Na"	45.978436
"1122438"	243.578618	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2Na"	45.978436
"1404502"	162.721504	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H+2Na"	46.985712
"1435891"	488.191546	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H+HCOOH"	47.012746
"229957"	469.20104	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+3H2O+2H"	56.04448
"1514738"	502.24359	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+IsoProp+H"	61.06479
"412239"	472.154988	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+Na+K"	61.952376
"773233"	692.744388	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+Na+K"	61.952376
"1667739"	251.565588	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Na+K"	61.952376
"251949"	946.373368	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+ACN+Na"	64.015768
"1225990"	505.194568	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+ACN+Na"	64.015768
"1712932"	505.218093	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+NH4+HCOOH"	64.039293
"1178546"	170.048818	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+3Na"	68.967654
"1652929"	510.173488	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Na+HCOOH"	68.994688
"161978"	959.27664	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+2K-H"	76.91904
"600078"	1400.45544	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+2K-H"	76.91904
"1091530"	518.09784	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2K-H"	76.91904
"153811"	480.141958	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"2M+2K"	77.926316
"593739"	700.731358	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"3M+2K"	77.926316
"1072424"	259.552558	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2K"	77.926316
"1100155"	520.112392	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2K+H"	78.933592
"1335771"	520.200007	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+DMSO+H"	79.021207
"1005965"	524.239176	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2ACN+H"	83.060376
"1525266"	525.232808	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+IsoProp+Na+H"	84.054008
"996212"	262.623226	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+2ACN+2H"	84.067652
"1596182"	526.147428	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+K+HCOOH"	84.968628
"1426216"	556.178938	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+H+CF3COOH"	115.000138
"1160877"	283.136501	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+3ACN+2H"	125.094202
"1704962"	573.205485	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+NH4+CF3COOH"	132.026685
"1637332"	578.16088	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+Na+CF3COOH"	136.98208
"1574077"	594.13482	"C20132"	"Platensimycin;(-)-Platensimycin"	"C24H27NO7"	"441.1788"	"M+K+CF3COOH"	152.95602
"812099"	286.1205	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M"	0
"987821"	267.10211	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-H2O-H"	-19.01839
"73875"	189.739724	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M-3H"	-3.021828
"510155"	285.113224	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M-3H"	-3.021828
"883582"	94.366224	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-3H"	-3.021828
"5436"	285.113224	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M-2H"	-2.014552
"448277"	428.173474	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M-2H"	-2.014552
"823895"	142.052974	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-2H"	-2.014552
"81698"	571.233724	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M-H"	-1.007276
"519192"	857.354224	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M-H"	-1.007276
"896022"	285.113224	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-H"	-1.007276
"52345"	588.260271	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M-2H+NH4"	16.019271
"497008"	874.380771	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M-2H+NH4"	16.019271
"877363"	302.139771	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-2H+NH4"	16.019271
"40889"	593.215666	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M-2H+Na"	20.974666
"471738"	879.336166	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M-2H+Na"	20.974666
"849501"	307.095166	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-2H+Na"	20.974666
"1618489"	307.095166	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Na-2H"	20.974666
"97754"	303.101563	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M-H+Cl"	33.962126
"535615"	446.161813	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M-H+Cl"	33.962126
"931928"	160.041313	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-H+Cl"	33.962126
"268538"	607.210402	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+Cl"	34.969402
"660220"	893.330902	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+Cl"	34.969402
"1273519"	321.089902	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Cl"	34.969402
"15993"	609.189606	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M-2H+K"	36.948606
"460708"	895.310106	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M-2H+K"	36.948606
"833113"	323.069106	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-2H+K"	36.948606
"1557258"	323.069106	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+K-2H"	36.948606
"946234"	331.118694	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-H+HCOOH"	44.998194
"363723"	617.239201	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+HCOOH-H"	44.998201
"351988"	631.254851	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+Hac-H"	59.013851
"1498632"	345.134351	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Hac-H"	59.013851
"965078"	353.100651	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-H+NaCOOH"	66.980151
"111432"	321.089902	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+2Cl"	69.938804
"553179"	464.150152	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+2Cl"	69.938804
"1026725"	178.029652	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2Cl"	69.938804
"1246668"	365.039385	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Br"	78.918885
"1310943"	367.095372	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Cl+HCOOH"	80.974872
"1334884"	389.077329	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Cl+NaCOOH"	102.956829
"925335"	399.106086	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M-H+CF3COOH"	112.985586
"1301675"	435.082764	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Cl+CF3COOH"	148.962264
"1378742"	251.107824	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H-2H2O"	-35.012676
"1396238"	269.1178	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H-H2O"	-17.0027
"290461"	573.248276	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+H"	1.007276
"680695"	859.368776	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+H"	1.007276
"1359232"	287.127776	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H"	1.007276
"134306"	287.127776	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+2H"	2.014552
"572773"	430.188026	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+2H"	2.014552
"1050323"	144.067526	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2H"	2.014552
"212754"	191.754276	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+3H"	3.021828
"649034"	287.127776	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+3H"	3.021828
"1166061"	96.380776	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+3H"	3.021828
"439947"	590.274823	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+NH4"	18.033823
"801164"	876.395323	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+NH4"	18.033823
"1696149"	304.154323	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+NH4"	18.033823
"344916"	295.6410495	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+H+NH4"	19.041099
"737579"	438.7012995	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+H+NH4"	19.041099
"1491032"	152.5807995	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H+NH4"	19.041099
"407524"	595.230218	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+Na"	22.989218
"769253"	881.350718	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+Na"	22.989218
"1616617"	309.109718	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Na"	22.989218
"325560"	298.118747	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+H+Na"	23.996494
"719075"	441.178997	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+H+Na"	23.996494
"1467425"	155.058497	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H+Na"	23.996494
"1062860"	103.70809	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2H+Na"	25.00377
"1265632"	319.153986	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+CH3OH+H"	33.033486
"384202"	611.204158	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+K"	38.963158
"744103"	897.324658	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+K"	38.963158
"1547251"	325.083658	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+K"	38.963158
"304425"	306.105717	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+H+K"	39.970434
"703426"	449.165967	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+H+K"	39.970434
"1456154"	163.045467	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H+K"	39.970434
"245846"	614.274826	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+ACN+H"	42.033826
"1221835"	328.154326	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+ACN+H"	42.033826
"1204629"	164.580801	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+ACN+2H"	43.041102
"201874"	617.21216	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+2Na-H"	44.97116
"638154"	903.33266	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+2Na-H"	44.97116
"1142387"	331.09166	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2Na-H"	44.97116
"184949"	309.109718	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+2Na"	45.978436
"624510"	452.169968	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+2Na"	45.978436
"1124735"	166.049468	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2Na"	45.978436
"1407164"	111.035404	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H+2Na"	46.985712
"1436001"	333.133246	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H+HCOOH"	47.012746
"230067"	314.14274	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+3H2O+2H"	56.04448
"1514119"	347.18529	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+IsoProp+H"	61.06479
"412712"	317.096688	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+Na+K"	61.952376
"771519"	460.156938	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+Na+K"	61.952376
"1666756"	174.036438	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Na+K"	61.952376
"251613"	636.256768	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+ACN+Na"	64.015768
"1225860"	350.136268	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+ACN+Na"	64.015768
"1712778"	350.159793	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+NH4+HCOOH"	64.039293
"1178596"	118.362718	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+3Na"	68.967654
"1653039"	355.115188	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Na+HCOOH"	68.994688
"159902"	649.16004	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+2K-H"	76.91904
"598731"	935.28054	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+2K-H"	76.91904
"1090547"	363.03954	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2K-H"	76.91904
"152828"	325.083658	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"2M+2K"	77.926316
"592387"	468.143908	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"3M+2K"	77.926316
"1069368"	182.023408	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2K"	77.926316
"1100265"	365.054092	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2K+H"	78.933592
"1336657"	365.141707	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+DMSO+H"	79.021207
"1008468"	369.180876	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2ACN+H"	83.060376
"1528782"	370.174508	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+IsoProp+Na+H"	84.054008
"996322"	185.094076	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+2ACN+2H"	84.067652
"1595198"	371.089128	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+K+HCOOH"	84.968628
"1423044"	401.120638	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+H+CF3COOH"	115.000138
"1157706"	205.607351	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+3ACN+2H"	125.094202
"1705072"	418.147185	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+NH4+CF3COOH"	132.026685
"1637442"	423.10258	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+Na+CF3COOH"	136.98208
"1574187"	439.07652	"C20133"	"Sugiresinol;Sequirin A"	"C17H18O4"	"286.1205"	"M+K+CF3COOH"	152.95602
"812938"	477.1918	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M"	0
"987931"	458.17341	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-H2O-H"	-19.01839
"67425"	317.120590666667	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M-3H"	-3.021828
"505890"	476.184524	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M-3H"	-3.021828
"885879"	158.056657333333	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-3H"	-3.021828
"4453"	476.184524	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M-2H"	-2.014552
"446201"	714.780424	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M-2H"	-2.014552
"824005"	237.588624	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-2H"	-2.014552
"81806"	953.376324	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M-H"	-1.007276
"521368"	1430.568124	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M-H"	-1.007276
"899170"	476.184524	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-H"	-1.007276
"52455"	970.402871	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M-2H+NH4"	16.019271
"497118"	1447.594671	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M-2H+NH4"	16.019271
"876743"	493.211071	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-2H+NH4"	16.019271
"39906"	975.358266	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M-2H+Na"	20.974666
"472901"	1452.550066	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M-2H+Na"	20.974666
"850704"	498.166466	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-2H+Na"	20.974666
"1619269"	498.166466	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Na-2H"	20.974666
"98958"	494.172863	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M-H+Cl"	33.962126
"534749"	732.768763	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M-H+Cl"	33.962126
"932038"	255.576963	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-H+Cl"	33.962126
"268406"	989.353002	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+Cl"	34.969402
"659965"	1466.544802	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+Cl"	34.969402
"1272894"	512.161202	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Cl"	34.969402
"15814"	991.332206	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M-2H+K"	36.948606
"460818"	1468.524006	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M-2H+K"	36.948606
"832829"	514.140406	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-2H+K"	36.948606
"1561014"	514.140406	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+K-2H"	36.948606
"944524"	522.189994	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-H+HCOOH"	44.998194
"364928"	999.381801	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+HCOOH-H"	44.998201
"351000"	1013.397451	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+Hac-H"	59.013851
"1493509"	536.205651	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Hac-H"	59.013851
"960078"	544.171951	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-H+NaCOOH"	66.980151
"112271"	512.161202	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+2Cl"	69.938804
"553657"	750.757102	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+2Cl"	69.938804
"1030115"	273.565302	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2Cl"	69.938804
"1246414"	556.110685	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Br"	78.918885
"1309960"	558.166672	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Cl+HCOOH"	80.974872
"1324174"	580.148629	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Cl+NaCOOH"	102.956829
"926173"	590.177386	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M-H+CF3COOH"	112.985586
"1294130"	626.154064	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Cl+CF3COOH"	148.962264
"1375572"	442.179124	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H-2H2O"	-35.012676
"1395255"	460.1891	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H-H2O"	-17.0027
"290571"	955.390876	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+H"	1.007276
"682991"	1432.582676	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+H"	1.007276
"1358248"	478.199076	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H"	1.007276
"134416"	478.199076	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+2H"	2.014552
"568873"	716.794976	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+2H"	2.014552
"1047152"	239.603176	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2H"	2.014552
"212864"	319.135142666667	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+3H"	3.021828
"648050"	478.199076	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+3H"	3.021828
"1166171"	160.071209333333	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+3H"	3.021828
"439867"	972.417423	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+NH4"	18.033823
"801273"	1449.609223	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+NH4"	18.033823
"1695774"	495.225623	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+NH4"	18.033823
"344784"	486.7123495	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+H+NH4"	19.041099
"737204"	725.3082495	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+H+NH4"	19.041099
"1491749"	248.1164495	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H+NH4"	19.041099
"407513"	977.372818	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+Na"	22.989218
"767536"	1454.564618	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+Na"	22.989218
"1612350"	500.181018	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Na"	22.989218
"323483"	489.190047	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+H+Na"	23.996494
"718092"	727.785947	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+H+Na"	23.996494
"1470818"	250.594147	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H+Na"	23.996494
"1059692"	167.398523333333	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2H+Na"	25.00377
"1263555"	510.225286	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+CH3OH+H"	33.033486
"386498"	993.346758	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+K"	38.963158
"745306"	1470.538558	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+K"	38.963158
"1547360"	516.154958	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+K"	38.963158
"306357"	497.177017	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+H+K"	39.970434
"703537"	735.772917	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+H+K"	39.970434
"1458449"	258.581117	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H+K"	39.970434
"247049"	996.417426	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+ACN+H"	42.033826
"1214654"	519.225626	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+ACN+H"	42.033826
"1204740"	260.116451	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+ACN+2H"	43.041102
"199796"	999.35476	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+2Na-H"	44.97116
"637171"	1476.54656	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+2Na-H"	44.97116
"1142497"	522.16296	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2Na-H"	44.97116
"184694"	500.181018	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+2Na"	45.978436
"622432"	738.776918	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+2Na"	45.978436
"1122658"	261.585118	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2Na"	45.978436
"1408367"	174.725837333333	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H+2Na"	46.985712
"1437203"	524.204546	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H+HCOOH"	47.012746
"227990"	505.21404	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+3H2O+2H"	56.04448
"1514958"	538.25659	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+IsoProp+H"	61.06479
"411729"	508.167988	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+Na+K"	61.952376
"772724"	746.763888	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+Na+K"	61.952376
"1666866"	269.572088	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Na+K"	61.952376
"253751"	1018.399368	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+ACN+Na"	64.015768
"1225805"	541.207568	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+ACN+Na"	64.015768
"1713229"	541.231093	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+NH4+HCOOH"	64.039293
"1178705"	182.053151333333	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+3Na"	68.967654
"1653149"	546.186488	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Na+HCOOH"	68.994688
"162200"	1031.30264	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+2K-H"	76.91904
"603946"	1508.49444	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+2K-H"	76.91904
"1090657"	554.11084	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2K-H"	76.91904
"150751"	516.154958	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"2M+2K"	77.926316
"589217"	754.750858	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"3M+2K"	77.926316
"1068993"	277.559058	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2K"	77.926316
"1102569"	556.125392	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2K+H"	78.933592
"1337132"	556.213007	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+DMSO+H"	79.021207
"1008577"	560.252176	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2ACN+H"	83.060376
"1526704"	561.245808	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+IsoProp+Na+H"	84.054008
"993150"	280.629726	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+2ACN+2H"	84.067652
"1595308"	562.160428	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+K+HCOOH"	84.968628
"1424247"	592.191938	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+H+CF3COOH"	115.000138
"1156722"	301.143001	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+3ACN+2H"	125.094202
"1705182"	609.218485	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+NH4+CF3COOH"	132.026685
"1637552"	614.17388	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+Na+CF3COOH"	136.98208
"1574297"	630.14782	"C20134"	"19-Chloroproansamitocin"	"C25H32ClNO6"	"477.1918"	"M+K+CF3COOH"	152.95602
"814505"	491.2075	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M"	0
"988041"	472.18911	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-H2O-H"	-19.01839
"70815"	326.464390666667	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M-3H"	-3.021828
"509280"	490.200224	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M-3H"	-3.021828
"888176"	162.728557333333	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-3H"	-3.021828
"7843"	490.200224	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M-2H"	-2.014552
"446311"	735.803974	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M-2H"	-2.014552
"821927"	244.596474	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-2H"	-2.014552
"83010"	981.407724	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M-H"	-1.007276
"523663"	1472.615224	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M-H"	-1.007276
"899280"	490.200224	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-H"	-1.007276
"53659"	998.434271	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M-2H+NH4"	16.019271
"491032"	1489.641771	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M-2H+NH4"	16.019271
"876853"	507.226771	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-2H+NH4"	16.019271
"40015"	1003.389666	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M-2H+Na"	20.974666
"472282"	1494.597166	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M-2H+Na"	20.974666
"849721"	512.182166	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-2H+Na"	20.974666
"1619135"	512.182166	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Na-2H"	20.974666
"100161"	508.188563	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M-H+Cl"	33.962126
"538629"	753.792313	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M-H+Cl"	33.962126
"932148"	262.584813	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-H+Cl"	33.962126
"267137"	1017.384402	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+Cl"	34.969402
"660006"	1508.591902	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+Cl"	34.969402
"1272993"	526.176902	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Cl"	34.969402
"15758"	1019.363606	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M-2H+K"	36.948606
"459835"	1510.571106	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M-2H+K"	36.948606
"832929"	528.156106	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-2H+K"	36.948606
"1558938"	528.156106	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+K-2H"	36.948606
"951196"	536.205694	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-H+HCOOH"	44.998194
"366132"	1027.413201	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+HCOOH-H"	44.998201
"353297"	1041.428851	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+Hac-H"	59.013851
"1496660"	550.221351	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Hac-H"	59.013851
"963472"	558.187651	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-H+NaCOOH"	66.980151
"116392"	526.176902	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+2Cl"	69.938804
"553397"	771.780652	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+2Cl"	69.938804
"1030226"	280.573152	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2Cl"	69.938804
"1247618"	570.126385	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Br"	78.918885
"1310070"	572.182372	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Cl+HCOOH"	80.974872
"1323191"	594.164329	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Cl+NaCOOH"	102.956829
"925553"	604.193086	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M-H+CF3COOH"	112.985586
"1293147"	640.169764	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Cl+CF3COOH"	148.962264
"1378962"	456.194824	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H-2H2O"	-35.012676
"1395001"	474.2048	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H-H2O"	-17.0027
"289588"	983.422276	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+H"	1.007276
"676540"	1474.629776	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+H"	1.007276
"1356171"	492.214776	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H"	1.007276
"130153"	492.214776	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+2H"	2.014552
"570076"	737.818526	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+2H"	2.014552
"1050422"	246.611026	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2H"	2.014552
"212974"	328.478942666667	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+3H"	3.021828
"647431"	492.214776	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+3H"	3.021828
"1165188"	164.743109333333	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+3H"	3.021828
"438687"	1000.448823	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+NH4"	18.033823
"800896"	1491.656323	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+NH4"	18.033823
"1695521"	509.241323	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+NH4"	18.033823
"344650"	500.7280495	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+H+NH4"	19.041099
"737436"	746.3317995	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+H+NH4"	19.041099
"1491983"	255.1242995	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H+NH4"	19.041099
"407260"	1005.404218	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+Na"	22.989218
"767646"	1496.611718	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+Na"	22.989218
"1612460"	514.196718	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Na"	22.989218
"324686"	503.205747	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+H+Na"	23.996494
"716015"	748.809497	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+H+Na"	23.996494
"1468740"	257.601997	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H+Na"	23.996494
"1058708"	172.070423333333	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2H+Na"	25.00377
"1261476"	524.240986	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+CH3OH+H"	33.033486
"386607"	1021.378158	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+K"	38.963158
"746509"	1512.585658	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+K"	38.963158
"1547469"	530.170658	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+K"	38.963158
"305738"	511.192717	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+H+K"	39.970434
"703643"	756.796467	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+H+K"	39.970434
"1457467"	265.588967	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H+K"	39.970434
"249346"	1024.448826	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+ACN+H"	42.033826
"1215128"	533.241326	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+ACN+H"	42.033826
"1205943"	267.124301	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+ACN+2H"	43.041102
"198813"	1027.38616	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+2Na-H"	44.97116
"637281"	1518.59366	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+2Na-H"	44.97116
"1141878"	536.17866	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2Na-H"	44.97116
"184804"	514.196718	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+2Na"	45.978436
"621449"	759.800468	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+2Na"	45.978436
"1122767"	268.592968	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2Na"	45.978436
"1406289"	179.397737333333	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H+2Na"	46.985712
"1440591"	538.220246	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H+HCOOH"	47.012746
"225184"	519.22974	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+3H2O+2H"	56.04448
"1511422"	552.27229	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+IsoProp+H"	61.06479
"415848"	522.183688	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+Na+K"	61.952376
"770443"	767.787438	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+Na+K"	61.952376
"1667705"	276.579938	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Na+K"	61.952376
"254590"	1046.430768	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+ACN+Na"	64.015768
"1226366"	555.223268	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+ACN+Na"	64.015768
"1713144"	555.246793	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+NH4+HCOOH"	64.039293
"1178618"	186.725051333333	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+3Na"	68.967654
"1652165"	560.202188	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Na+HCOOH"	68.994688
"162310"	1059.33404	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+2K-H"	76.91904
"598952"	1550.54154	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+2K-H"	76.91904
"1086025"	568.12654	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2K-H"	76.91904
"148674"	530.170658	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"2M+2K"	77.926316
"589327"	775.774408	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"3M+2K"	77.926316
"1068860"	284.566908	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2K"	77.926316
"1100193"	570.141092	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2K+H"	78.933592
"1336023"	570.228707	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+DMSO+H"	79.021207
"1007594"	574.267876	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2ACN+H"	83.060376
"1529001"	575.261508	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+IsoProp+Na+H"	84.054008
"992167"	287.637576	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+2ACN+2H"	84.067652
"1588856"	576.176128	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+K+HCOOH"	84.968628
"1422170"	606.207638	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+H+CF3COOH"	115.000138
"1154646"	308.150851	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+3ACN+2H"	125.094202
"1702011"	623.234185	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+NH4+CF3COOH"	132.026685
"1636569"	628.18958	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+Na+CF3COOH"	136.98208
"1574407"	644.16352	"C20135"	"20-O-Methyl-19-chloroproansamitocin"	"C26H34ClNO6"	"491.2075"	"M+K+CF3COOH"	152.95602
"814616"	534.2133	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M"	0
"987787"	515.19491	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-H2O-H"	-19.01839
"70926"	355.134924	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M-3H"	-3.021828
"512670"	533.206024	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M-3H"	-3.021828
"889379"	177.063824	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-3H"	-3.021828
"7953"	533.206024	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M-2H"	-2.014552
"446421"	800.312674	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M-2H"	-2.014552
"820943"	266.099374	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-2H"	-2.014552
"82026"	1067.419324	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M-H"	-1.007276
"524867"	1601.632624	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M-H"	-1.007276
"900485"	533.206024	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-H"	-1.007276
"55956"	1084.445871	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M-2H+NH4"	16.019271
"491142"	1618.659171	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M-2H+NH4"	16.019271
"876963"	550.232571	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-2H+NH4"	16.019271
"43042"	1089.401266	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M-2H+Na"	20.974666
"475309"	1623.614566	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M-2H+Na"	20.974666
"854204"	555.187966	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-2H+Na"	20.974666
"1622646"	555.187966	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Na-2H"	20.974666
"98084"	551.194363	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M-H+Cl"	33.962126
"537646"	818.301013	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M-H+Cl"	33.962126
"931165"	284.087713	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-H+Cl"	33.962126
"267884"	1103.396002	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+Cl"	34.969402
"660668"	1637.609302	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+Cl"	34.969402
"1273802"	569.182702	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Cl"	34.969402
"16964"	1105.375206	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M-2H+K"	36.948606
"456772"	1639.588506	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M-2H+K"	36.948606
"833732"	571.161906	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-2H+K"	36.948606
"1560142"	571.161906	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+K-2H"	36.948606
"952399"	579.211494	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-H+HCOOH"	44.998194
"368427"	1113.424801	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+HCOOH-H"	44.998201
"352314"	1127.440451	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+Hac-H"	59.013851
"1501142"	593.227151	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Hac-H"	59.013851
"965404"	601.193451	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-H+NaCOOH"	66.980151
"115409"	569.182702	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+2Cl"	69.938804
"554601"	836.289352	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+2Cl"	69.938804
"1033252"	302.076052	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2Cl"	69.938804
"1251008"	613.132185	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Br"	78.918885
"1310180"	615.188172	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Cl+HCOOH"	80.974872
"1326581"	637.170129	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Cl+NaCOOH"	102.956829
"924204"	647.198886	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M-H+CF3COOH"	112.985586
"1296537"	683.175564	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Cl+CF3COOH"	148.962264
"1381988"	499.200624	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H-2H2O"	-35.012676
"1395475"	517.2106	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H-H2O"	-17.0027
"295165"	1069.433876	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+H"	1.007276
"678837"	1603.647176	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+H"	1.007276
"1359561"	535.220576	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H"	1.007276
"132449"	535.220576	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+2H"	2.014552
"570915"	802.327226	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+2H"	2.014552
"1051261"	268.113926	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2H"	2.014552
"213084"	357.149476	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+3H"	3.021828
"648634"	535.220576	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+3H"	3.021828
"1165298"	179.078376	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+3H"	3.021828
"438554"	1086.460423	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+NH4"	18.033823
"800278"	1620.673723	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+NH4"	18.033823
"1696236"	552.247123	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+NH4"	18.033823
"344636"	543.7338495	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+H+NH4"	19.041099
"736449"	810.8404995	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+H+NH4"	19.041099
"1490268"	276.6271995	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H+NH4"	19.041099
"403476"	1091.415818	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+Na"	22.989218
"764470"	1625.629118	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+Na"	22.989218
"1612570"	557.202518	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Na"	22.989218
"320419"	546.211547	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+H+Na"	23.996494
"712846"	813.318197	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+H+Na"	23.996494
"1467028"	279.104897	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H+Na"	23.996494
"1054930"	186.40569	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2H+Na"	25.00377
"1262679"	567.246786	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+CH3OH+H"	33.033486
"384531"	1107.389758	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+K"	38.963158
"743340"	1641.603058	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+K"	38.963158
"1547580"	573.176458	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+K"	38.963158
"303662"	554.198517	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+H+K"	39.970434
"703753"	821.305167	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+H+K"	39.970434
"1457575"	287.091867	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H+K"	39.970434
"247999"	1110.460426	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+ACN+H"	42.033826
"1215237"	576.247126	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+ACN+H"	42.033826
"1204960"	288.627201	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+ACN+2H"	43.041102
"195640"	1113.39776	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+2Na-H"	44.97116
"640670"	1647.61106	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+2Na-H"	44.97116
"1142353"	579.18446	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2Na-H"	44.97116
"181996"	557.202518	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+2Na"	45.978436
"619733"	824.309168	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+2Na"	45.978436
"1119961"	290.095868	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2Na"	45.978436
"1404212"	193.733004	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H+2Na"	46.985712
"1436328"	581.226046	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H+HCOOH"	47.012746
"224930"	562.23554	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+3H2O+2H"	56.04448
"1510075"	595.27809	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+IsoProp+H"	61.06479
"410126"	565.189488	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+Na+K"	61.952376
"770513"	832.296138	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+Na+K"	61.952376
"1665678"	298.082838	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Na+K"	61.952376
"254334"	1132.442368	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+ACN+Na"	64.015768
"1225945"	598.229068	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+ACN+Na"	64.015768
"1712826"	598.252593	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+NH4+HCOOH"	64.039293
"1180190"	201.060318	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+3Na"	68.967654
"1652275"	603.207988	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Na+HCOOH"	68.994688
"163513"	1145.34564	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+2K-H"	76.91904
"599792"	1679.55894	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+2K-H"	76.91904
"1089053"	611.13234	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2K-H"	76.91904
"148783"	573.176458	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"2M+2K"	77.926316
"589435"	840.283108	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"3M+2K"	77.926316
"1069581"	306.069808	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2K"	77.926316
"1102059"	613.146892	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2K+H"	78.933592
"1336989"	613.234507	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+DMSO+H"	79.021207
"1008798"	617.273676	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2ACN+H"	83.060376
"1531299"	618.267308	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+IsoProp+Na+H"	84.054008
"994463"	309.140476	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+2ACN+2H"	84.067652
"1588966"	619.181928	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+K+HCOOH"	84.968628
"1422280"	649.213438	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+H+CF3COOH"	115.000138
"1154755"	329.653751	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+3ACN+2H"	125.094202
"1698109"	666.239985	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+NH4+CF3COOH"	132.026685
"1636679"	671.19538	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+Na+CF3COOH"	136.98208
"1574517"	687.16932	"C20136"	"N-Demethyl-desepoxymaytansinol;N-Desmethyl-45-desepoxymaytansinol"	"C27H35ClN2O7"	"534.2133"	"M+K+CF3COOH"	152.95602
"815456"	604.2551	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M"	0
"988991"	585.23671	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-H2O-H"	-19.01839
"74319"	401.829457333333	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M-3H"	-3.021828
"511688"	603.247824	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M-3H"	-3.021828
"889490"	200.411090666667	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-3H"	-3.021828
"12075"	603.247824	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M-2H"	-2.014552
"452000"	905.375374	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M-2H"	-2.014552
"822149"	301.120274	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-2H"	-2.014552
"84323"	1207.502924	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M-H"	-1.007276
"522791"	1811.758024	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M-H"	-1.007276
"900596"	603.247824	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-H"	-1.007276
"58985"	1224.529471	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M-2H+NH4"	16.019271
"495627"	1828.784571	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M-2H+NH4"	16.019271
"875981"	620.274371	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-2H+NH4"	16.019271
"43882"	1229.484866	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M-2H+Na"	20.974666
"478701"	1833.739966	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M-2H+Na"	20.974666
"857596"	625.229766	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-2H+Na"	20.974666
"1624941"	625.229766	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Na-2H"	20.974666
"100383"	621.236163	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M-H+Cl"	33.962126
"537758"	923.363713	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M-H+Cl"	33.962126
"927502"	319.108613	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-H+Cl"	33.962126
"267630"	1243.479602	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+Cl"	34.969402
"660536"	1847.734702	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+Cl"	34.969402
"1273429"	639.224502	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Cl"	34.969402
"16709"	1245.458806	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M-2H+K"	36.948606
"457611"	1849.713906	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M-2H+K"	36.948606
"833842"	641.203706	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-2H+K"	36.948606
"1563532"	641.203706	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+K-2H"	36.948606
"951414"	649.253294	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-H+HCOOH"	44.998194
"368537"	1253.508401	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+HCOOH-H"	44.998201
"353516"	1267.524051	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+Hac-H"	59.013851
"1496147"	663.268951	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Hac-H"	59.013851
"959796"	671.235251	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-H+NaCOOH"	66.980151
"114424"	639.224502	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+2Cl"	69.938804
"552159"	941.352052	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+2Cl"	69.938804
"1032632"	337.096952	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2Cl"	69.938804
"1252940"	683.173985	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Br"	78.918885
"1310290"	685.229972	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Cl+HCOOH"	80.974872
"1326691"	707.211929	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Cl+NaCOOH"	102.956829
"924314"	717.240686	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M-H+CF3COOH"	112.985586
"1296647"	753.217364	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Cl+CF3COOH"	148.962264
"1380641"	569.242424	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H-2H2O"	-35.012676
"1394492"	587.2524	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H-H2O"	-17.0027
"294182"	1209.517476	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+H"	1.007276
"678947"	1813.772576	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+H"	1.007276
"1359671"	605.262376	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H"	1.007276
"131466"	605.262376	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+2H"	2.014552
"569932"	907.389926	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+2H"	2.014552
"1051371"	303.134826	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2H"	2.014552
"212101"	403.844009333333	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+3H"	3.021828
"646558"	605.262376	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+3H"	3.021828
"1165409"	202.425642666667	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+3H"	3.021828
"439597"	1226.544023	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+NH4"	18.033823
"801196"	1830.799123	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+NH4"	18.033823
"1696467"	622.288923	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+NH4"	18.033823
"343043"	613.7756495	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+H+NH4"	19.041099
"736559"	915.9031995	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+H+NH4"	19.041099
"1490375"	311.6480995	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H+NH4"	19.041099
"403586"	1231.499418	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+Na"	22.989218
"762393"	1835.754518	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+Na"	22.989218
"1607213"	627.244318	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Na"	22.989218
"315547"	616.253347	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+H+Na"	23.996494
"711862"	918.380897	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+H+Na"	23.996494
"1467868"	314.125797	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H+Na"	23.996494
"1056741"	209.752956666667	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2H+Na"	25.00377
"1259874"	637.288586	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+CH3OH+H"	33.033486
"381361"	1247.473358	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+K"	38.963158
"744543"	1851.728458	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+K"	38.963158
"1546600"	643.218258	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+K"	38.963158
"308146"	624.240317	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+H+K"	39.970434
"701677"	926.367867	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+H+K"	39.970434
"1458780"	322.112767	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H+K"	39.970434
"247016"	1250.544026	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+ACN+H"	42.033826
"1214619"	646.288926	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+ACN+H"	42.033826
"1203973"	323.648101	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+ACN+2H"	43.041102
"196841"	1253.48136	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+2Na-H"	44.97116
"637500"	1857.73646	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+2Na-H"	44.97116
"1142097"	649.22626	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2Na-H"	44.97116
"183199"	627.244318	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+2Na"	45.978436
"619480"	929.371868	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+2Na"	45.978436
"1122988"	325.116768	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2Na"	45.978436
"1403229"	217.080270666667	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H+2Na"	46.985712
"1436437"	651.267846	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H+HCOOH"	47.012746
"225040"	632.27734	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+3H2O+2H"	56.04448
"1511277"	665.31989	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+IsoProp+H"	61.06479
"409748"	635.231288	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+Na+K"	61.952376
"770866"	937.358838	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+Na+K"	61.952376
"1667075"	333.103738	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Na+K"	61.952376
"254445"	1272.525968	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+ACN+Na"	64.015768
"1227156"	668.270868	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+ACN+Na"	64.015768
"1713728"	668.294393	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+NH4+HCOOH"	64.039293
"1180299"	224.407584666667	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+3Na"	68.967654
"1650805"	673.249788	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Na+HCOOH"	68.994688
"163623"	1285.42924	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+2K-H"	76.91904
"603184"	1889.68434	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+2K-H"	76.91904
"1090983"	681.17414	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2K-H"	76.91904
"148893"	643.218258	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"2M+2K"	77.926316
"589545"	945.345808	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"3M+2K"	77.926316
"1068960"	341.090708	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2K"	77.926316
"1100710"	683.188692	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2K+H"	78.933592
"1335794"	683.276307	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+DMSO+H"	79.021207
"1010001"	687.315476	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2ACN+H"	83.060376
"1528128"	688.309108	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+IsoProp+Na+H"	84.054008
"993480"	344.161376	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+2ACN+2H"	84.067652
"1591263"	689.223728	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+K+HCOOH"	84.968628
"1419110"	719.255238	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+H+CF3COOH"	115.000138
"1157053"	364.674651	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+3ACN+2H"	125.094202
"1702231"	736.281785	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+NH4+CF3COOH"	132.026685
"1634963"	741.23718	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+Na+CF3COOH"	136.98208
"1573533"	757.21112	"C20137"	"N-Demethyl-desepoxyansamitocin P-3;N-Demethyl-desepoxy-AP-3"	"C31H41ClN2O8"	"604.2551"	"M+K+CF3COOH"	152.95602
"814836"	620.2501	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M"	0
"987278"	601.23171	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-H2O-H"	-19.01839
"74427"	412.492790666667	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M-3H"	-3.021828
"511798"	619.242824	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M-3H"	-3.021828
"886320"	205.742757333333	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-3H"	-3.021828
"12549"	619.242824	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M-2H"	-2.014552
"452110"	929.367874	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M-2H"	-2.014552
"826632"	309.117774	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-2H"	-2.014552
"83339"	1239.492924	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M-H"	-1.007276
"528367"	1859.743024	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M-H"	-1.007276
"900703"	619.242824	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-H"	-1.007276
"58365"	1256.519471	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M-2H+NH4"	16.019271
"492456"	1876.769571	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M-2H+NH4"	16.019271
"872444"	636.269371	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-2H+NH4"	16.019271
"42533"	1261.474866	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M-2H+Na"	20.974666
"478811"	1881.724966	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M-2H+Na"	20.974666
"855519"	641.224766	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-2H+Na"	20.974666
"1623958"	641.224766	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Na-2H"	20.974666
"99400"	637.231163	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M-H+Cl"	33.962126
"537868"	947.356213	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M-H+Cl"	33.962126
"928097"	327.106113	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-H+Cl"	33.962126
"267622"	1275.469602	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+Cl"	34.969402
"660404"	1895.719702	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+Cl"	34.969402
"1272968"	655.219502	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Cl"	34.969402
"15935"	1277.448806	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M-2H+K"	36.948606
"456262"	1897.698906	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M-2H+K"	36.948606
"833219"	657.198706	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-2H+K"	36.948606
"1564735"	657.198706	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+K-2H"	36.948606
"952253"	665.248294	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-H+HCOOH"	44.998194
"363174"	1285.498401	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+HCOOH-H"	44.998201
"353626"	1299.514051	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+Hac-H"	59.013851
"1494800"	679.263951	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Hac-H"	59.013851
"959538"	687.230251	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-H+NaCOOH"	66.980151
"113803"	655.219502	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+2Cl"	69.938804
"552633"	965.344552	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+2Cl"	69.938804
"1030554"	345.094452	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2Cl"	69.938804
"1246852"	699.168985	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Br"	78.918885
"1310392"	701.224972	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Cl+HCOOH"	80.974872
"1323520"	723.206929	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Cl+NaCOOH"	102.956829
"926247"	733.235686	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M-H+CF3COOH"	112.985586
"1296757"	769.212364	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Cl+CF3COOH"	148.962264
"1381116"	585.237424	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H-2H2O"	-35.012676
"1395693"	603.2474	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H-H2O"	-17.0027
"296114"	1241.507476	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+H"	1.007276
"681244"	1861.757576	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+H"	1.007276
"1363061"	621.257376	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H"	1.007276
"132669"	621.257376	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+2H"	2.014552
"572228"	931.382426	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+2H"	2.014552
"1048684"	311.132326	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2H"	2.014552
"212211"	414.507342666667	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+3H"	3.021828
"649583"	621.257376	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+3H"	3.021828
"1168799"	207.757309333333	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+3H"	3.021828
"439629"	1258.534023	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+NH4"	18.033823
"800983"	1878.784123	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+NH4"	18.033823
"1695242"	638.283923	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+NH4"	18.033823
"343153"	629.7706495	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+H+NH4"	19.041099
"735213"	939.8956995	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+H+NH4"	19.041099
"1489392"	319.6455995	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H+NH4"	19.041099
"406976"	1263.489418	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+Na"	22.989218
"760316"	1883.739518	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+Na"	22.989218
"1608416"	643.239318	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Na"	22.989218
"317359"	632.248347	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+H+Na"	23.996494
"713064"	942.373397	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+H+Na"	23.996494
"1466884"	322.123297	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H+Na"	23.996494
"1057943"	215.084623333333	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2H+Na"	25.00377
"1260712"	653.283586	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+CH3OH+H"	33.033486
"381471"	1279.463358	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+K"	38.963158
"747933"	1899.713458	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+K"	38.963158
"1545616"	659.213258	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+K"	38.963158
"306068"	640.235317	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+H+K"	39.970434
"702880"	950.360367	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+H+K"	39.970434
"1458525"	330.110267	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H+K"	39.970434
"247489"	1282.534026	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+ACN+H"	42.033826
"1211570"	662.283926	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+ACN+H"	42.033826
"1205176"	331.645601	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+ACN+2H"	43.041102
"196951"	1285.47136	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+2Na-H"	44.97116
"636517"	1905.72146	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+2Na-H"	44.97116
"1141113"	665.22126	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2Na-H"	44.97116
"183309"	643.239318	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+2Na"	45.978436
"619590"	953.364368	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+2Na"	45.978436
"1123096"	333.114268	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2Na"	45.978436
"1405526"	222.411937333333	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H+2Na"	46.985712
"1436547"	667.262846	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H+HCOOH"	47.012746
"225150"	648.27234	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+3H2O+2H"	56.04448
"1510659"	681.31489	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+IsoProp+H"	61.06479
"412899"	651.226288	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+Na+K"	61.952376
"772800"	961.351338	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+Na+K"	61.952376
"1668158"	341.101238	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Na+K"	61.952376
"254557"	1304.515968	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+ACN+Na"	64.015768
"1226780"	684.265868	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+ACN+Na"	64.015768
"1713234"	684.289393	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+NH4+HCOOH"	64.039293
"1179315"	229.739251333333	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+3Na"	68.967654
"1654685"	689.244788	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Na+HCOOH"	68.994688
"162640"	1317.41924	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+2K-H"	76.91904
"603295"	1937.66934	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+2K-H"	76.91904
"1096556"	697.16914	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2K-H"	76.91904
"149003"	659.213258	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"2M+2K"	77.926316
"589655"	969.338308	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"3M+2K"	77.926316
"1070894"	349.088208	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2K"	77.926316
"1105195"	699.183692	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2K+H"	78.933592
"1337450"	699.271307	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+DMSO+H"	79.021207
"1010111"	703.310476	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2ACN+H"	83.060376
"1527143"	704.304108	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+IsoProp+Na+H"	84.054008
"992497"	352.158876	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+2ACN+2H"	84.067652
"1591373"	705.218728	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+K+HCOOH"	84.968628
"1421407"	735.250238	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+H+CF3COOH"	115.000138
"1157163"	372.672151	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+3ACN+2H"	125.094202
"1702341"	752.276785	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+NH4+CF3COOH"	132.026685
"1635074"	757.23218	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+Na+CF3COOH"	136.98208
"1574737"	773.20612	"C20138"	"N-Demethylansamitocin P-3;N-Demethyl-AP-3;PND-3"	"C31H41ClN2O9"	"620.2501"	"M+K+CF3COOH"	152.95602
"816040"	782.3029	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M"	0
"985202"	763.28451	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-H2O-H"	-19.01839
"75632"	520.527990666667	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M-3H"	-3.021828
"514095"	781.295624	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M-3H"	-3.021828
"889710"	259.760357333333	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-3H"	-3.021828
"11566"	781.295624	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M-2H"	-2.014552
"448941"	1172.447074	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M-2H"	-2.014552
"823463"	390.144174	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-2H"	-2.014552
"81991"	1563.598524	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M-H"	-1.007276
"527384"	2345.901424	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M-H"	-1.007276
"899720"	781.295624	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-H"	-1.007276
"53006"	1580.625071	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M-2H+NH4"	16.019271
"489284"	2362.927971	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M-2H+NH4"	16.019271
"867086"	798.322171	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-2H+NH4"	16.019271
"37173"	1585.580466	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M-2H+Na"	20.974666
"480014"	2367.883366	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M-2H+Na"	20.974666
"857817"	803.277566	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-2H+Na"	20.974666
"1626256"	803.277566	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Na-2H"	20.974666
"98417"	799.283963	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M-H+Cl"	33.962126
"537978"	1190.435413	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M-H+Cl"	33.962126
"927968"	408.132513	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-H+Cl"	33.962126
"268953"	1599.575202	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+Cl"	34.969402
"660110"	2381.878102	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+Cl"	34.969402
"1272921"	817.272302	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Cl"	34.969402
"15836"	1601.554406	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M-2H+K"	36.948606
"455926"	2383.857306	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M-2H+K"	36.948606
"833449"	819.251506	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-2H+K"	36.948606
"1561566"	819.251506	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+K-2H"	36.948606
"945074"	827.301094	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-H+HCOOH"	44.998194
"362556"	1609.604001	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+HCOOH-H"	44.998201
"353736"	1623.619651	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+Hac-H"	59.013851
"1493816"	841.316751	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Hac-H"	59.013851
"959163"	849.283051	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-H+NaCOOH"	66.980151
"112455"	817.272302	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+2Cl"	69.938804
"552742"	1208.423752	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+2Cl"	69.938804
"1030664"	426.120852	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2Cl"	69.938804
"1246962"	861.221785	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Br"	78.918885
"1310502"	863.277772	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Cl+HCOOH"	80.974872
"1324723"	885.259729	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Cl+NaCOOH"	102.956829
"926358"	895.288486	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M-H+CF3COOH"	112.985586
"1301241"	931.265164	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Cl+CF3COOH"	148.962264
"1381225"	747.290224	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H-2H2O"	-35.012676
"1395803"	765.3002	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H-H2O"	-17.0027
"293308"	1565.613076	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+H"	1.007276
"684634"	2347.915976	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+H"	1.007276
"1358795"	783.310176	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H"	1.007276
"133873"	783.310176	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+2H"	2.014552
"572339"	1174.461626	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+2H"	2.014552
"1048794"	392.158726	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2H"	2.014552
"214508"	522.542542666667	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+3H"	3.021828
"648600"	783.310176	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+3H"	3.021828
"1166359"	261.774909333333	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+3H"	3.021828
"439817"	1582.639623	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+NH4"	18.033823
"801286"	2364.942523	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+NH4"	18.033823
"1695351"	800.336723	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+NH4"	18.033823
"339983"	791.8234495	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+H+NH4"	19.041099
"735685"	1182.9748995	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+H+NH4"	19.041099
"1486225"	400.6719995	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H+NH4"	19.041099
"403807"	1587.595018	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+Na"	22.989218
"762614"	2369.897918	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+Na"	22.989218
"1609622"	805.292118	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Na"	22.989218
"319657"	794.301147	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+H+Na"	23.996494
"709530"	1185.452597	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+H+Na"	23.996494
"1464807"	403.149697	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H+Na"	23.996494
"1055866"	269.102223333333	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2H+Na"	25.00377
"1261916"	815.336386	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+CH3OH+H"	33.033486
"381581"	1603.568958	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+K"	38.963158
"743670"	2385.871858	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+K"	38.963158
"1543539"	821.266058	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+K"	38.963158
"305086"	802.288117	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+H+K"	39.970434
"701897"	1193.439567	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+H+K"	39.970434
"1454625"	411.136667	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H+K"	39.970434
"247235"	1606.639626	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+ACN+H"	42.033826
"1214839"	824.336726	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+ACN+H"	42.033826
"1204193"	412.672001	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+ACN+2H"	43.041102
"195968"	1609.57696	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+2Na-H"	44.97116
"639903"	2391.87986	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+2Na-H"	44.97116
"1142316"	827.27406	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2Na-H"	44.97116
"185241"	805.292118	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+2Na"	45.978436
"621888"	1196.443568	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+2Na"	45.978436
"1124300"	414.140668	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2Na"	45.978436
"1406731"	276.429537333333	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H+2Na"	46.985712
"1436659"	829.315646	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H+HCOOH"	47.012746
"226354"	810.32514	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+3H2O+2H"	56.04448
"1512229"	843.36769	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+IsoProp+H"	61.06479
"415196"	813.279088	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+Na+K"	61.952376
"772178"	1204.430538	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+Na+K"	61.952376
"1667419"	422.127638	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Na+K"	61.952376
"253936"	1628.621568	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+ACN+Na"	64.015768
"1227012"	846.318668	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+ACN+Na"	64.015768
"1714439"	846.342193	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+NH4+HCOOH"	64.039293
"1178858"	283.756851333333	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+3Na"	68.967654
"1654795"	851.297588	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Na+HCOOH"	68.994688
"159953"	1641.52484	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+2K-H"	76.91904
"603405"	2423.82774	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+2K-H"	76.91904
"1094479"	859.22194	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2K-H"	76.91904
"152029"	821.266058	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"2M+2K"	77.926316
"589765"	1212.417508	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"3M+2K"	77.926316
"1069786"	430.114608	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2K"	77.926316
"1102146"	861.236492	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2K+H"	78.933592
"1336706"	861.324107	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+DMSO+H"	79.021207
"1012408"	865.363276	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2ACN+H"	83.060376
"1527253"	866.356908	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+IsoProp+Na+H"	84.054008
"995888"	433.185276	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+2ACN+2H"	84.067652
"1595857"	867.271528	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+K+HCOOH"	84.968628
"1421517"	897.303038	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+H+CF3COOH"	115.000138
"1160552"	453.698551	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+3ACN+2H"	125.094202
"1698439"	914.329585	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+NH4+CF3COOH"	132.026685
"1634496"	919.28498	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+Na+CF3COOH"	136.98208
"1572660"	935.25892	"C20139"	"Ansamitocinoside P-3;AGP-3"	"C37H51ClN2O14"	"782.3029"	"M+K+CF3COOH"	152.95602
"813963"	825.3087	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M"	0
"985312"	806.29031	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-H2O-H"	-19.01839
"74648"	549.198524	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M-3H"	-3.021828
"508738"	824.301424	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M-3H"	-3.021828
"887634"	274.095624	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-3H"	-3.021828
"9492"	824.301424	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M-2H"	-2.014552
"450145"	1236.955774	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M-2H"	-2.014552
"822480"	411.647074	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-2H"	-2.014552
"84653"	1649.610124	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M-H"	-1.007276
"527494"	2474.918824	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M-H"	-1.007276
"900924"	824.301424	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-H"	-1.007276
"52023"	1666.636671	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M-2H+NH4"	16.019271
"488422"	2491.945371	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M-2H+NH4"	16.019271
"867196"	841.327971	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-2H+NH4"	16.019271
"36190"	1671.592066	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M-2H+Na"	20.974666
"480125"	2496.900766	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M-2H+Na"	20.974666
"854646"	846.283366	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-2H+Na"	20.974666
"1625272"	846.283366	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Na-2H"	20.974666
"97434"	842.289763	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M-H+Cl"	33.962126
"539182"	1254.944113	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M-H+Cl"	33.962126
"929780"	429.635413	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-H+Cl"	33.962126
"269794"	1685.586802	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+Cl"	34.969402
"660185"	2510.895502	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+Cl"	34.969402
"1272991"	860.278102	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Cl"	34.969402
"15731"	1687.566006	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M-2H+K"	36.948606
"455719"	2512.874706	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M-2H+K"	36.948606
"832802"	862.257306	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-2H+K"	36.948606
"1561676"	862.257306	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+K-2H"	36.948606
"944089"	870.306894	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-H+HCOOH"	44.998194
"362666"	1695.615601	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+HCOOH-H"	44.998201
"346919"	1709.631251	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+Hac-H"	59.013851
"1492803"	884.322551	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Hac-H"	59.013851
"958496"	892.288851	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-H+NaCOOH"	66.980151
"110615"	860.278102	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+2Cl"	69.938804
"550036"	1272.932452	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+2Cl"	69.938804
"1026398"	447.623752	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2Cl"	69.938804
"1242326"	904.227585	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Br"	78.918885
"1310612"	906.283572	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Cl+HCOOH"	80.974872
"1323010"	928.265529	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Cl+NaCOOH"	102.956829
"915891"	938.294286	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M-H+CF3COOH"	112.985586
"1291506"	974.270964	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Cl+CF3COOH"	148.962264
"1375139"	790.296024	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H-2H2O"	-35.012676
"1392633"	808.306	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H-H2O"	-17.0027
"293418"	1651.624676	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+H"	1.007276
"681464"	2476.933376	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+H"	1.007276
"1355625"	826.315976	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H"	1.007276
"133983"	826.315976	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+2H"	2.014552
"571356"	1238.970326	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+2H"	2.014552
"1046718"	413.661626	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2H"	2.014552
"214618"	551.213076	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+3H"	3.021828
"648710"	826.315976	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+3H"	3.021828
"1166104"	276.110176	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+3H"	3.021828
"439117"	1668.651223	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+NH4"	18.033823
"800594"	2493.959923	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+NH4"	18.033823
"1695825"	843.342523	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+NH4"	18.033823
"340093"	834.8292495	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+H+NH4"	19.041099
"733609"	1247.4835995	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+H+NH4"	19.041099
"1484147"	422.1748995	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H+NH4"	19.041099
"400637"	1673.606618	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+Na"	22.989218
"760538"	2498.915318	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+Na"	22.989218
"1608639"	848.297918	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Na"	22.989218
"317581"	837.306947	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+H+Na"	23.996494
"711099"	1249.961297	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+H+Na"	23.996494
"1463459"	424.652597	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H+Na"	23.996494
"1054151"	283.43749	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2H+Na"	25.00377
"1259840"	858.342186	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+CH3OH+H"	33.033486
"379505"	1689.580558	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+K"	38.963158
"742685"	2514.889258	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+K"	38.963158
"1541207"	864.271858	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+K"	38.963158
"300567"	845.293917	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+H+K"	39.970434
"697631"	1257.948267	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+H+K"	39.970434
"1456921"	432.639567	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H+K"	39.970434
"244429"	1692.651226	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+ACN+H"	42.033826
"1218230"	867.342526	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+ACN+H"	42.033826
"1204302"	434.174901	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+ACN+2H"	43.041102
"198265"	1695.58856	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+2Na-H"	44.97116
"637827"	2520.89726	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+2Na-H"	44.97116
"1142426"	870.27986	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2Na-H"	44.97116
"175874"	848.297918	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+2Na"	45.978436
"621999"	1260.952268	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+2Na"	45.978436
"1125504"	435.643568	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2Na"	45.978436
"1407935"	290.764804	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H+2Na"	46.985712
"1438955"	872.321446	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H+HCOOH"	47.012746
"227558"	853.33094	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+3H2O+2H"	56.04448
"1514526"	886.37349	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+IsoProp+H"	61.06479
"415306"	856.284888	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+Na+K"	61.952376
"778488"	1268.939238	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+Na+K"	61.952376
"1670445"	443.630538	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Na+K"	61.952376
"252953"	1714.633168	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+ACN+Na"	64.015768
"1226393"	889.324468	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+ACN+Na"	64.015768
"1714185"	889.347993	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+NH4+HCOOH"	64.039293
"1179539"	298.092118	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+3Na"	68.967654
"1654905"	894.303388	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Na+HCOOH"	68.994688
"160307"	1727.53644	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+2K-H"	76.91904
"603515"	2552.84514	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+2K-H"	76.91904
"1094589"	902.22774	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2K-H"	76.91904
"152503"	864.271858	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"2M+2K"	77.926316
"588782"	1276.926208	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"3M+2K"	77.926316
"1069774"	451.617508	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2K"	77.926316
"1100307"	904.242292	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2K+H"	78.933592
"1338521"	904.329907	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+DMSO+H"	79.021207
"1009238"	908.369076	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2ACN+H"	83.060376
"1526270"	909.362708	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+IsoProp+Na+H"	84.054008
"994904"	454.688176	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+2ACN+2H"	84.067652
"1597063"	910.277328	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+K+HCOOH"	84.968628
"1424907"	940.308838	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+H+CF3COOH"	115.000138
"1158476"	475.201451	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+3ACN+2H"	125.094202
"1702560"	957.335385	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+NH4+CF3COOH"	132.026685
"1637119"	962.29078	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+Na+CF3COOH"	136.98208
"1574957"	978.26472	"C20140"	"4-O-Carbamoyl ansamitocinoside P-3;ACGP-3"	"C38H52ClN3O15"	"825.3087"	"M+K+CF3COOH"	152.95602
"816831"	179.0735	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M"	0
"985422"	160.05511	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-H2O-H"	-19.01839
"75851"	118.375057333333	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M-3H"	-3.021828
"512128"	178.066224	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M-3H"	-3.021828
"888837"	58.6838906666667	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-3H"	-3.021828
"9601"	178.066224	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M-2H"	-2.014552
"450254"	267.602974	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M-2H"	-2.014552
"822590"	88.529474	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-2H"	-2.014552
"84763"	357.139724	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M-H"	-1.007276
"525417"	536.213224	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M-H"	-1.007276
"898847"	178.066224	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-H"	-1.007276
"52132"	374.166271	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M-2H+NH4"	16.019271
"490597"	553.239771	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M-2H+NH4"	16.019271
"869493"	195.092771	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-2H+NH4"	16.019271
"39580"	379.121666	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M-2H+Na"	20.974666
"480236"	558.195166	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M-2H+Na"	20.974666
"856943"	200.048166	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-2H+Na"	20.974666
"1626476"	200.048166	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Na-2H"	20.974666
"104106"	196.054563	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M-H+Cl"	33.962126
"543667"	285.591313	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M-H+Cl"	33.962126
"933171"	106.517813	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-H+Cl"	33.962126
"274645"	393.116402	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+Cl"	34.969402
"665969"	572.189902	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+Cl"	34.969402
"1278737"	214.042902	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Cl"	34.969402
"23117"	395.095606	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M-2H+K"	36.948606
"461947"	574.169106	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M-2H+K"	36.948606
"833102"	216.022106	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-2H+K"	36.948606
"1560693"	216.022106	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+K-2H"	36.948606
"946389"	224.071694	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-H+HCOOH"	44.998194
"363505"	403.145201	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+HCOOH-H"	44.998201
"346376"	417.160851	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+Hac-H"	59.013851
"1493788"	238.087351	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Hac-H"	59.013851
"958815"	246.053651	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-H+NaCOOH"	66.980151
"110098"	214.042902	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+2Cl"	69.938804
"550005"	303.579652	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+2Cl"	69.938804
"1028695"	124.506152	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2Cl"	69.938804
"1246085"	257.992385	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Br"	78.918885
"1312909"	260.048372	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Cl+HCOOH"	80.974872
"1328223"	282.030329	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Cl+NaCOOH"	102.956829
"919281"	292.059086	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M-H+CF3COOH"	112.985586
"1300363"	328.035764	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Cl+CF3COOH"	148.962264
"1376337"	144.060824	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H-2H2O"	-35.012676
"1391646"	162.0708	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H-H2O"	-17.0027
"295351"	359.154276	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+H"	1.007276
"680481"	538.227776	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+H"	1.007276
"1353549"	180.080776	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H"	1.007276
"135187"	180.080776	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+2H"	2.014552
"574746"	269.617526	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+2H"	2.014552
"1045735"	90.544026	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2H"	2.014552
"213635"	120.389609333333	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+3H"	3.021828
"653195"	180.080776	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+3H"	3.021828
"1173505"	60.6984426666667	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+3H"	3.021828
"439104"	376.180823	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+NH4"	18.033823
"801025"	555.254323	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+NH4"	18.033823
"1695814"	197.107323	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+NH4"	18.033823
"341297"	188.5940495	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+H+NH4"	19.041099
"733717"	278.1307995	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+H+NH4"	19.041099
"1487537"	99.0572995	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H+NH4"	19.041099
"399653"	381.136218	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+Na"	22.989218
"760646"	560.209718	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+Na"	22.989218
"1612029"	202.062718	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Na"	22.989218
"318056"	191.071747	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+H+Na"	23.996494
"712302"	280.608497	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+H+Na"	23.996494
"1465027"	101.534997	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H+Na"	23.996494
"1056084"	68.0257566666667	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2H+Na"	25.00377
"1261043"	212.106986	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+CH3OH+H"	33.033486
"381802"	397.110158	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+K"	38.963158
"742066"	576.183658	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+K"	38.963158
"1542658"	218.036658	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+K"	38.963158
"299831"	199.058717	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+H+K"	39.970434
"699929"	288.595467	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+H+K"	39.970434
"1457398"	109.521967	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H+K"	39.970434
"244540"	400.180826	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+ACN+H"	42.033826
"1217247"	221.107326	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+ACN+H"	42.033826
"1205872"	111.057301	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+ACN+2H"	43.041102
"197282"	403.11816	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+2Na-H"	44.97116
"636843"	582.19166	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+2Na-H"	44.97116
"1142536"	224.04466	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2Na-H"	44.97116
"176348"	202.062718	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+2Na"	45.978436
"624298"	291.599468	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+2Na"	45.978436
"1126707"	112.525968	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2Na"	45.978436
"1408044"	75.3530706666667	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H+2Na"	46.985712
"1442345"	226.086246	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H+HCOOH"	47.012746
"230950"	207.09574	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+3H2O+2H"	56.04448
"1516823"	240.13829	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+IsoProp+H"	61.06479
"421977"	210.049688	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+Na+K"	61.952376
"784794"	299.586438	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+Na+K"	61.952376
"1678208"	120.512938	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Na+K"	61.952376
"261448"	422.162768	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+ACN+Na"	64.015768
"1239624"	243.089268	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+ACN+Na"	64.015768
"1719762"	243.112793	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+NH4+HCOOH"	64.039293
"1186210"	82.6803846666667	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+3Na"	68.967654
"1658289"	248.068188	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Na+HCOOH"	68.994688
"160782"	435.06604	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+2K-H"	76.91904
"606544"	614.13954	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+2K-H"	76.91904
"1092879"	255.99254	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2K-H"	76.91904
"142894"	218.036658	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"2M+2K"	77.926316
"585612"	307.573408	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"3M+2K"	77.926316
"1068534"	128.499908	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2K"	77.926316
"1100242"	258.007092	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2K+H"	78.933592
"1337294"	258.094707	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+DMSO+H"	79.021207
"1006064"	262.133876	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2ACN+H"	83.060376
"1524351"	263.127508	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+IsoProp+Na+H"	84.054008
"990762"	131.570576	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+2ACN+2H"	84.067652
"1597173"	264.042128	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+K+HCOOH"	84.968628
"1425017"	294.073638	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+H+CF3COOH"	115.000138
"1157493"	152.083851	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+3ACN+2H"	125.094202
"1702670"	311.100185	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+NH4+CF3COOH"	132.026685
"1640509"	316.05558	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+Na+CF3COOH"	136.98208
"1575067"	332.02952	"C20141"	"Acridine"	"C13H9N"	"179.0735"	"M+K+CF3COOH"	152.95602
"815641"	195.0684	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M"	0
"988813"	176.05001	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-H2O-H"	-19.01839
"75961"	129.038324	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M-3H"	-3.021828
"510052"	194.061124	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M-3H"	-3.021828
"887854"	64.015524	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-3H"	-3.021828
"10804"	194.061124	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M-2H"	-2.014552
"449270"	291.595324	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M-2H"	-2.014552
"823793"	96.526924	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-2H"	-2.014552
"83779"	389.129524	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M-H"	-1.007276
"523340"	584.197924	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M-H"	-1.007276
"903330"	194.061124	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-H"	-1.007276
"54428"	406.156071	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M-2H+NH4"	16.019271
"490707"	601.224471	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M-2H+NH4"	16.019271
"870695"	211.087671	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-2H+NH4"	16.019271
"39690"	411.111466	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M-2H+Na"	20.974666
"477063"	606.179866	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M-2H+Na"	20.974666
"857052"	216.043066	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-2H+Na"	20.974666
"1627679"	216.043066	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Na-2H"	20.974666
"104216"	212.049463	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M-H+Cl"	33.962126
"542683"	309.583663	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M-H+Cl"	33.962126
"936199"	114.515263	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-H+Cl"	33.962126
"273659"	425.106202	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+Cl"	34.969402
"667174"	620.174602	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+Cl"	34.969402
"1280670"	230.037802	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Cl"	34.969402
"21769"	427.085406	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M-2H+K"	36.948606
"462422"	622.153806	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M-2H+K"	36.948606
"834757"	232.017006	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-2H+K"	36.948606
"1562991"	232.017006	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+K-2H"	36.948606
"946499"	240.066594	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-H+HCOOH"	44.998194
"363980"	435.135001	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+HCOOH-H"	44.998201
"346279"	449.150651	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+Hac-H"	59.013851
"1493410"	254.082251	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Hac-H"	59.013851
"960587"	262.048551	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-H+NaCOOH"	66.980151
"110304"	230.037802	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+2Cl"	69.938804
"550511"	327.572002	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+2Cl"	69.938804
"1032085"	132.503602	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2Cl"	69.938804
"1252755"	273.987285	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Br"	78.918885
"1310831"	276.043272	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Cl+HCOOH"	80.974872
"1331611"	298.025229	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Cl+NaCOOH"	102.956829
"919392"	308.053986	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M-H+CF3COOH"	112.985586
"1297192"	344.030664	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Cl+CF3COOH"	148.962264
"1378635"	160.055724	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H-2H2O"	-35.012676
"1392849"	178.0657	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H-H2O"	-17.0027
"293638"	391.144076	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+H"	1.007276
"683871"	586.212476	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+H"	1.007276
"1353659"	196.075676	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H"	1.007276
"138581"	196.075676	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+2H"	2.014552
"575950"	293.609876	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+2H"	2.014552
"1045845"	98.541476	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2H"	2.014552
"211558"	131.052876	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+3H"	3.021828
"654398"	196.075676	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+3H"	3.021828
"1173615"	66.030076	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+3H"	3.021828
"439087"	408.170623	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+NH4"	18.033823
"801175"	603.239023	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+NH4"	18.033823
"1696654"	213.102223	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+NH4"	18.033823
"339220"	204.5889495	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+H+NH4"	19.041099
"734557"	302.1231495	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+H+NH4"	19.041099
"1489834"	107.0547495	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H+NH4"	19.041099
"403043"	413.126018	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+Na"	22.989218
"762944"	608.194418	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+Na"	22.989218
"1608859"	218.057618	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Na"	22.989218
"318894"	207.066647	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+H+Na"	23.996494
"716787"	304.600847	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+H+Na"	23.996494
"1464043"	109.532447	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H+Na"	23.996494
"1058382"	73.35739	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2H+Na"	25.00377
"1262246"	228.101886	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+CH3OH+H"	33.033486
"379724"	429.099958	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+K"	38.963158
"741812"	624.168358	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+K"	38.963158
"1541310"	234.031558	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+K"	38.963158
"301401"	215.053617	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+H+K"	39.970434
"702224"	312.587817	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+H+K"	39.970434
"1451672"	117.519417	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H+K"	39.970434
"242460"	432.170626	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+ACN+H"	42.033826
"1215170"	237.102226	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+ACN+H"	42.033826
"1197959"	119.054751	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+ACN+2H"	43.041102
"197392"	435.10796	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+2Na-H"	44.97116
"639140"	630.17636	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+2Na-H"	44.97116
"1142646"	240.03956	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2Na-H"	44.97116
"176458"	218.057618	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+2Na"	45.978436
"625866"	315.591818	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+2Na"	45.978436
"1125724"	120.523418	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2Na"	45.978436
"1409247"	80.684704	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H+2Na"	46.985712
"1443549"	242.081146	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H+HCOOH"	47.012746
"233614"	223.09064	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+3H2O+2H"	56.04448
"1519121"	256.13319	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+IsoProp+H"	61.06479
"418808"	226.044588	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+Na+K"	61.952376
"781990"	323.578788	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+Na+K"	61.952376
"1677226"	128.510388	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Na+K"	61.952376
"261558"	454.152568	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+ACN+Na"	64.015768
"1237547"	259.084168	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+ACN+Na"	64.015768
"1717686"	259.107693	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+NH4+HCOOH"	64.039293
"1184133"	88.012018	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+3Na"	68.967654
"1660585"	264.063088	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Na+HCOOH"	68.994688
"164165"	467.05584	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+2K-H"	76.91904
"606652"	662.12424	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+2K-H"	76.91904
"1089702"	271.98744	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2K-H"	76.91904
"148351"	234.031558	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"2M+2K"	77.926316
"586817"	331.565758	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"3M+2K"	77.926316
"1069018"	136.497358	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2K"	77.926316
"1100119"	274.001992	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2K+H"	78.933592
"1337646"	274.089607	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+DMSO+H"	79.021207
"1009458"	278.128776	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2ACN+H"	83.060376
"1526611"	279.122408	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+IsoProp+Na+H"	84.054008
"995126"	139.568026	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+2ACN+2H"	84.067652
"1596190"	280.037028	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+K+HCOOH"	84.968628
"1420753"	310.068538	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+H+CF3COOH"	115.000138
"1158696"	160.081301	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+3ACN+2H"	125.094202
"1702780"	327.095085	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+NH4+CF3COOH"	132.026685
"1640619"	332.05048	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+Na+CF3COOH"	136.98208
"1575177"	348.02442	"C20142"	"Acridone;9(10H)-Acridone"	"C13H9NO"	"195.0684"	"M+K+CF3COOH"	152.95602
"814292"	400.3341	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M"	0
"987829"	381.31571	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H2O-H"	-19.01839
"73882"	265.882124	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-3H"	-3.021828
"505787"	399.326824	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-3H"	-3.021828
"886870"	132.437424	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-3H"	-3.021828
"9820"	399.326824	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H"	-2.014552
"451566"	599.493874	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H"	-2.014552
"826089"	199.159774	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H"	-2.014552
"83889"	799.660924	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-H"	-1.007276
"523450"	1199.995024	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-H"	-1.007276
"903440"	399.326824	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H"	-1.007276
"52351"	816.687471	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+NH4"	16.019271
"490817"	1217.021571	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+NH4"	16.019271
"872992"	416.353371	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+NH4"	16.019271
"39800"	821.642866	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+Na"	20.974666
"477173"	1221.976966	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+Na"	20.974666
"853882"	421.308766	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+Na"	20.974666
"1631070"	421.308766	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na-2H"	20.974666
"103232"	417.315163	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-H+Cl"	33.962126
"543885"	617.482213	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-H+Cl"	33.962126
"934122"	217.148113	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+Cl"	33.962126
"272677"	835.637602	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Cl"	34.969402
"666192"	1235.971702	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Cl"	34.969402
"1280781"	435.303502	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl"	34.969402
"20059"	837.616806	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+K"	36.948606
"461074"	1237.950906	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+K"	36.948606
"834867"	437.282706	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+K"	36.948606
"1563101"	437.282706	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K-2H"	36.948606
"948797"	445.332294	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+HCOOH"	44.998194
"363000"	845.666401	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+HCOOH-H"	44.998201
"347243"	859.682051	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Hac-H"	59.013851
"1494615"	459.347951	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Hac-H"	59.013851
"959726"	467.314251	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+NaCOOH"	66.980151
"110194"	435.303502	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Cl"	69.938804
"550092"	635.470552	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Cl"	69.938804
"1030011"	235.136452	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Cl"	69.938804
"1245213"	479.252985	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Br"	78.918885
"1307296"	481.308972	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+HCOOH"	80.974872
"1333908"	503.290929	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+NaCOOH"	102.956829
"923148"	513.319686	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+CF3COOH"	112.985586
"1297302"	549.296364	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+CF3COOH"	148.962264
"1380568"	365.321424	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H-2H2O"	-35.012676
"1389679"	383.3314	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H-H2O"	-17.0027
"297038"	801.675476	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H"	1.007276
"686898"	1202.009576	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H"	1.007276
"1363246"	401.341376	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H"	1.007276
"132125"	401.341376	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2H"	2.014552
"580804"	601.508426	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2H"	2.014552
"1051424"	201.174326	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2H"	2.014552
"217502"	267.896676	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+3H"	3.021828
"654508"	401.341376	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+3H"	3.021828
"1174455"	134.451976	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3H"	3.021828
"438839"	818.702023	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+NH4"	18.033823
"801163"	1219.036123	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+NH4"	18.033823
"1696851"	418.367923	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4"	18.033823
"343339"	409.8546495	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+NH4"	19.041099
"738344"	610.0216995	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+NH4"	19.041099
"1488850"	209.6875995	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+NH4"	19.041099
"403153"	823.657418	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Na"	22.989218
"764147"	1223.991518	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Na"	22.989218
"1608969"	423.323318	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na"	22.989218
"320097"	412.332347	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+Na"	23.996494
"716897"	612.499397	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+Na"	23.996494
"1465246"	212.165297	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+Na"	23.996494
"1058492"	141.77929	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2H+Na"	25.00377
"1261263"	433.367586	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+CH3OH+H"	33.033486
"379105"	839.631358	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+K"	38.963158
"739734"	1239.965458	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+K"	38.963158
"1541785"	439.297258	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K"	38.963158
"300417"	420.319317	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+K"	39.970434
"702334"	620.486367	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+K"	39.970434
"1452875"	220.152267	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+K"	39.970434
"245850"	842.702026	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+ACN+H"	42.033826
"1219655"	442.367926	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+H"	42.033826
"1200257"	221.687601	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+2H"	43.041102
"197503"	845.63936	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Na-H"	44.97116
"642167"	1245.97346	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Na-H"	44.97116
"1142756"	445.30526	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Na-H"	44.97116
"181672"	423.323318	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Na"	45.978436
"627069"	623.490368	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Na"	45.978436
"1130208"	223.156268	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Na"	45.978436
"1412272"	149.106604	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+2Na"	46.985712
"1440379"	447.346846	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+HCOOH"	47.012746
"231170"	428.35634	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+3H2O+2H"	56.04448
"1520324"	461.39889	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+IsoProp+H"	61.06479
"421104"	431.310288	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Na+K"	61.952376
"779914"	631.477338	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Na+K"	61.952376
"1676242"	231.143238	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+K"	61.952376
"261668"	864.683968	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+ACN+Na"	64.015768
"1233283"	464.349868	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+Na"	64.015768
"1718889"	464.373393	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4+HCOOH"	64.039293
"1184243"	156.433918	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3Na"	68.967654
"1657414"	469.328788	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+HCOOH"	68.994688
"163182"	877.58724	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2K-H"	76.91904
"598004"	1277.92134	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2K-H"	76.91904
"1087625"	477.25314	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K-H"	76.91904
"148460"	439.297258	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2K"	77.926316
"588019"	639.464308	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2K"	77.926316
"1074725"	239.130208	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K"	77.926316
"1105746"	479.267692	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K+H"	78.933592
"1346504"	479.355307	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+DMSO+H"	79.021207
"1016493"	483.394476	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2ACN+H"	83.060376
"1532068"	484.388108	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+IsoProp+Na+H"	84.054008
"998515"	242.200876	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2ACN+2H"	84.067652
"1599579"	485.302728	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K+HCOOH"	84.968628
"1420863"	515.334238	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+CF3COOH"	115.000138
"1158806"	262.714151	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3ACN+2H"	125.094202
"1702890"	532.360785	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4+CF3COOH"	132.026685
"1640729"	537.31618	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+CF3COOH"	136.98208
"1575287"	553.29012	"C20143"	"(25S)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K+CF3COOH"	152.95602
"814402"	284.1776	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M"	0
"987939"	265.15921	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-H2O-H"	-19.01839
"78089"	188.444457333333	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M-3H"	-3.021828
"509177"	283.170324	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M-3H"	-3.021828
"888074"	93.7185906666667	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-3H"	-3.021828
"7741"	283.170324	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M-2H"	-2.014552
"446209"	425.259124	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M-2H"	-2.014552
"825104"	141.081524	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-2H"	-2.014552
"81812"	567.347924	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M-H"	-1.007276
"522466"	851.525524	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M-H"	-1.007276
"898082"	283.170324	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-H"	-1.007276
"51367"	584.374471	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M-2H+NH4"	16.019271
"490927"	868.552071	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M-2H+NH4"	16.019271
"867635"	300.196871	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-2H+NH4"	16.019271
"39911"	589.329866	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M-2H+Na"	20.974666
"475096"	873.507466	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M-2H+Na"	20.974666
"851804"	305.152266	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-2H+Na"	20.974666
"1631180"	305.152266	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Na-2H"	20.974666
"103336"	301.158663	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M-H+Cl"	33.962126
"534996"	443.247463	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M-H+Cl"	33.962126
"927414"	159.069863	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-H+Cl"	33.962126
"274970"	603.324602	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+Cl"	34.969402
"666302"	887.502202	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+Cl"	34.969402
"1280891"	319.147002	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Cl"	34.969402
"17617"	605.303806	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M-2H+K"	36.948606
"457175"	889.481406	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M-2H+K"	36.948606
"833519"	321.126206	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-2H+K"	36.948606
"1566492"	321.126206	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+K-2H"	36.948606
"947813"	329.175794	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-H+HCOOH"	44.998194
"363112"	613.353401	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+HCOOH-H"	44.998201
"346060"	627.369051	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+Hac-H"	59.013851
"1495457"	343.191451	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Hac-H"	59.013851
"959472"	351.157751	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-H+NaCOOH"	66.980151
"110004"	319.147002	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+2Cl"	69.938804
"550081"	461.235802	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+2Cl"	69.938804
"1033401"	177.058202	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2Cl"	69.938804
"1251884"	363.096485	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Br"	78.918885
"1314334"	365.152472	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Cl+HCOOH"	80.974872
"1335280"	387.134429	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Cl+NaCOOH"	102.956829
"922892"	397.163186	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M-H+CF3COOH"	112.985586
"1296319"	433.139864	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Cl+CF3COOH"	148.962264
"1379949"	249.164924	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H-2H2O"	-35.012676
"1390884"	267.1749	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H-H2O"	-17.0027
"293853"	569.362476	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+H"	1.007276
"689566"	853.540076	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+H"	1.007276
"1364820"	285.184876	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H"	1.007276
"138067"	285.184876	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+2H"	2.014552
"579458"	427.273676	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+2H"	2.014552
"1051538"	143.096076	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2H"	2.014552
"216521"	190.459009333333	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+3H"	3.021828
"653526"	285.184876	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+3H"	3.021828
"1173837"	95.7331426666667	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+3H"	3.021828
"438584"	586.389023	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+NH4"	18.033823
"798113"	870.566623	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+NH4"	18.033823
"1696979"	302.211423	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+NH4"	18.033823
"343449"	293.6981495	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+H+NH4"	19.041099
"737573"	435.7869495	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+H+NH4"	19.041099
"1486773"	151.6093495	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H+NH4"	19.041099
"403264"	591.344418	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+Na"	22.989218
"758791"	875.522018	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+Na"	22.989218
"1606892"	307.166818	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Na"	22.989218
"316928"	296.175847	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+H+Na"	23.996494
"710441"	438.264647	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+H+Na"	23.996494
"1464263"	154.087047	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H+Na"	23.996494
"1059695"	103.060456666667	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2H+Na"	25.00377
"1258818"	317.211086	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+CH3OH+H"	33.033486
"378485"	607.318358	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+K"	38.963158
"740573"	891.495958	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+K"	38.963158
"1542988"	323.140758	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+K"	38.963158
"302350"	304.162817	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+H+K"	39.970434
"701353"	446.251617	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+H+K"	39.970434
"1455172"	162.074017	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H+K"	39.970434
"247054"	610.389026	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+ACN+H"	42.033826
"1219765"	326.211426	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+ACN+H"	42.033826
"1202554"	163.609351	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+ACN+2H"	43.041102
"200893"	613.32636	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+2Na-H"	44.97116
"642278"	897.50396	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+2Na-H"	44.97116
"1145904"	329.14876	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2Na-H"	44.97116
"181782"	307.166818	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+2Na"	45.978436
"627180"	449.255618	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+2Na"	45.978436
"1130199"	165.078018	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2Na"	45.978436
"1412385"	110.387770666667	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H+2Na"	46.985712
"1441582"	331.190346	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H+HCOOH"	47.012746
"230186"	312.19984	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+3H2O+2H"	56.04448
"1520434"	345.24239	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+IsoProp+H"	61.06479
"421214"	315.153788	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+Na+K"	61.952376
"782211"	457.242588	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+Na+K"	61.952376
"1674166"	173.064988	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Na+K"	61.952376
"258498"	632.370968	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+ACN+Na"	64.015768
"1237767"	348.193368	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+ACN+Na"	64.015768
"1718999"	348.216893	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+NH4+HCOOH"	64.039293
"1186540"	117.715084666667	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+3Na"	68.967654
"1657525"	353.172288	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Na+HCOOH"	68.994688
"163292"	645.27424	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+2K-H"	76.91904
"597750"	929.45184	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+2K-H"	76.91904
"1085183"	361.09664	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2K-H"	76.91904
"151854"	323.140758	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"2M+2K"	77.926316
"591411"	465.229558	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"3M+2K"	77.926316
"1079209"	181.051958	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2K"	77.926316
"1111324"	363.111192	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2K+H"	78.933592
"1349166"	363.198807	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+DMSO+H"	79.021207
"1017332"	367.237976	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2ACN+H"	83.060376
"1534367"	368.231608	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+IsoProp+Na+H"	84.054008
"998624"	184.122626	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+2ACN+2H"	84.067652
"1601511"	369.146228	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+K+HCOOH"	84.968628
"1419880"	399.177738	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+H+CF3COOH"	115.000138
"1158916"	204.635901	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+3ACN+2H"	125.094202
"1703000"	416.204285	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+NH4+CF3COOH"	132.026685
"1640839"	421.15968	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+Na+CF3COOH"	136.98208
"1575397"	437.13362	"C20144"	"Androsta-14-diene-317-dione"	"C19H24O2"	"284.1776"	"M+K+CF3COOH"	152.95602
"812325"	272.2504	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M"	0
"986954"	253.23201	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"70822"	180.492990666667	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"510384"	271.243124	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"884905"	89.7428573333333	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"1288"	271.243124	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"445223"	407.368324	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"823027"	135.117924	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"79122"	543.493524	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"518925"	815.743924	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"896242"	271.243124	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-H"	-1.007276
"51477"	560.520071	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"488485"	832.770471	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"867745"	288.269671	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"37834"	565.475466	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"474112"	837.725866	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"855196"	293.225066	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1630926"	293.225066	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"100166"	289.231463	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"534697"	425.356663	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"927242"	153.106263	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"273986"	579.470202	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"669689"	851.720602	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1279907"	307.219802	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"18091"	581.449406	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"458743"	853.699806	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"833672"	309.199006	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1564415"	309.199006	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"945736"	317.248594	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"361755"	589.499001	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"346734"	603.514651	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1494106"	331.264251	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"960554"	339.230551	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"110677"	307.219802	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"550358"	443.345002	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1032417"	171.094602	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1247621"	351.169285	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1306056"	353.225272	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1326472"	375.207229	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"923002"	385.235986	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1291326"	421.212664	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1375685"	237.237724	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1389900"	255.2477	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"295056"	545.508076	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+H"	1.007276
"689677"	817.758476	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1365658"	273.257676	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H"	1.007276
"138541"	273.257676	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"579567"	409.382876	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1050553"	137.132476	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2H"	2.014552
"216631"	182.507542666667	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"653636"	273.257676	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1171760"	91.7574093333333	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+3H"	3.021828
"439420"	562.534623	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"800903"	834.785023	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1696852"	290.284223	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"343559"	281.7709495	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"735250"	417.8961495	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1486883"	145.6457495	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"399000"	567.490018	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755621"	839.740418	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1608095"	295.239618	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Na"	22.989218
"317038"	284.248647	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"710551"	420.373847	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1464373"	148.123447	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1059805"	99.0847233333333	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1260750"	305.283886	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"380053"	583.463958	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+K"	38.963158
"743234"	855.714358	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1544191"	311.213558	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+K"	38.963158
"301002"	292.235617	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"704744"	428.360817	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1456376"	156.110417	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"246071"	586.534626	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1218782"	314.284226	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1202664"	157.645751	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"201003"	589.47196	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"642630"	861.72236	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1145042"	317.22156	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"181892"	295.239618	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"625830"	431.364818	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1128242"	159.114418	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1411765"	106.412037333333	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1441691"	319.263146	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"225922"	300.27264	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1518357"	333.31519	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"420231"	303.226588	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"782321"	439.351788	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1673183"	167.101388	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"256786"	608.516568	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1237877"	336.266168	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1718015"	336.289693	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1183369"	113.739351333333	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1657635"	341.245088	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"160121"	621.41984	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"598586"	893.67024	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1085414"	349.16944	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"150870"	311.213558	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"589335"	447.338758	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1079319"	175.088358	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1112527"	351.183992	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1349640"	351.271607	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1018535"	355.310776	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1536663"	356.304408	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"998734"	178.159026	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1601621"	357.219028	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1419990"	387.250538	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1159026"	198.672301	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1703110"	404.277085	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1640949"	409.23248	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1575507"	425.20642	"C20145"	"ent-Isokaurene;Kaur-15-ene;Kryptomeren"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"815714"	288.2453	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M"	0
"979408"	269.22691	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"68742"	191.156257333333	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"509395"	287.238024	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"885009"	95.0744906666666	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"4675"	287.238024	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"442049"	431.360674	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"818023"	143.115374	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"78582"	575.483324	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"520247"	863.728624	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"897077"	287.238024	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"48305"	592.509871	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"491145"	880.755171	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"865058"	304.264571	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"32591"	597.465266	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"473367"	885.710566	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"850927"	309.219966	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1619159"	309.219966	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"94676"	305.226363	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"534721"	449.349013	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"927867"	161.103713	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"275190"	611.460002	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"669799"	899.705302	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1280016"	323.214702	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"25853"	613.439206	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"459947"	901.684506	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"838846"	325.193906	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1557595"	325.193906	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"946208"	333.243494	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"361872"	621.488801	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"346361"	635.504451	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1500049"	347.259151	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"963218"	355.225451	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"111514"	323.214702	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"551439"	467.337352	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1021940"	179.092052	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1242374"	367.164185	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1307260"	369.220172	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1322205"	391.202129	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"918735"	401.230886	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1289976"	437.207564	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1371417"	253.232624	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1386727"	271.2426	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"292979"	577.497876	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"689776"	865.743176	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1365032"	289.252576	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H"	1.007276
"135735"	289.252576	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"576389"	433.375226	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1049934"	145.129926	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"215275"	193.170809333333	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"659456"	289.252576	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1172962"	97.0890426666667	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"437824"	594.524423	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"793955"	882.769723	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1687730"	306.279123	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"337468"	297.7658495	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"729159"	441.8884995	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1483707"	153.6431995	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"400198"	599.479818	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"760100"	887.725118	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1604917"	311.234518	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"316412"	300.243547	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"709928"	444.366197	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1462163"	156.120897	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1053346"	104.416356666667	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1258061"	321.278786	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"378215"	615.453758	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"739574"	903.699058	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1541021"	327.208458	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+K"	38.963158
"299655"	308.230517	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"703763"	452.353167	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1454299"	164.107867	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"245088"	618.524426	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1216704"	330.279126	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1201681"	165.643201	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"202207"	621.46176	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"635205"	909.70706	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1137617"	333.21646	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"177260"	311.234518	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"614995"	455.357168	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1119595"	167.111868	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1402026"	111.743670666667	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1434147"	335.258046	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"223112"	316.26754	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1509593"	349.31009	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"411588"	319.221488	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"771490"	463.344138	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1671104"	175.098838	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"253612"	640.506368	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1233613"	352.261068	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1715937"	352.284593	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1181289"	119.070984666667	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1652274"	357.239988	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"158407"	653.40964	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"597605"	941.65494	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1086132"	365.16434	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"152073"	327.208458	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"595521"	471.331108	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1077242"	183.085808	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1112273"	367.178892	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1349508"	367.266507	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1017552"	371.305676	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1537744"	372.299308	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"998844"	186.156476	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1596628"	373.213928	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1421193"	403.245438	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1162416"	206.669751	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1706500"	420.271985	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1641059"	425.22738	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1575617"	441.20132	"C20146"	"ent-2alpha-Hydroxyisokaurene"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"811452"	288.2453	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M"	0
"976238"	269.22691	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"65573"	191.156257333333	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"507320"	287.238024	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"880867"	95.0744906666666	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"567"	287.238024	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"440370"	431.360674	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"817767"	143.115374	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"79704"	575.483324	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"519870"	863.728624	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"896332"	287.238024	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"49264"	592.509871	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"488339"	880.755171	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"864916"	304.264571	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"31973"	597.465266	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"472142"	885.710566	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"849700"	309.219966	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1619109"	309.219966	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"95030"	305.226363	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"534713"	449.349013	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"927538"	161.103713	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"267511"	611.460002	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"669909"	899.705302	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1280126"	323.214702	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"27057"	613.439206	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"462243"	901.684506	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"838956"	325.193906	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1559164"	325.193906	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"944861"	333.243494	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"362222"	621.488801	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"346592"	635.504451	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1495790"	347.259151	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"962237"	355.225451	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"113326"	323.214702	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"551550"	467.337352	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1023508"	179.092052	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1242724"	367.164185	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1307006"	369.220172	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1321221"	391.202129	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"911375"	401.230886	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1288749"	437.207564	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1370434"	253.232624	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1386837"	271.2426	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"290901"	577.497876	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"681139"	865.743176	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1355300"	289.252576	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H"	1.007276
"132565"	289.252576	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"576499"	433.375226	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1051136"	145.129926	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"213199"	193.170809333333	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"659443"	289.252576	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1173072"	97.0890426666667	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"438055"	594.524423	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"795158"	882.769723	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1689298"	306.279123	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"336119"	297.7658495	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"731090"	441.8884995	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1481633"	153.6431995	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"400308"	599.479818	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"757293"	887.725118	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1605392"	311.234518	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"314941"	300.243547	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"708942"	444.366197	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1463491"	156.120897	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1054186"	104.416356666667	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1257318"	321.278786	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"377597"	615.453758	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"740656"	903.699058	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1542588"	327.208458	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+K"	38.963158
"299397"	308.230517	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"705331"	452.353167	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1455502"	164.107867	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"243011"	618.524426	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1220094"	330.279126	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1199603"	165.643201	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"202807"	621.46176	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"635315"	909.70706	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1145144"	333.21646	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"177009"	311.234518	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"622766"	455.357168	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1129677"	167.111868	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1410890"	111.743670666667	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1435350"	335.258046	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"222858"	316.26754	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1513106"	349.31009	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"410605"	319.221488	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"773788"	463.344138	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1670120"	175.098838	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"253358"	640.506368	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1233723"	352.261068	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1717141"	352.284593	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1183955"	119.070984666667	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1653483"	357.239988	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"160345"	653.40964	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"597956"	941.65494	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1084458"	365.16434	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"151087"	327.208458	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"592834"	471.331108	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1080628"	183.085808	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1111290"	367.178892	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1348037"	367.266507	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1017662"	371.305676	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1534695"	372.299308	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"998954"	186.156476	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1596738"	373.213928	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1429566"	403.245438	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1158158"	206.669751	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1709890"	420.271985	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1644449"	425.22738	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1575727"	441.20132	"C20147"	"9beta-Pimara-715-dien-19-ol"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"814842"	286.2297	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M"	0
"979629"	267.21131	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-H2O-H"	-19.01839
"71150"	189.812524	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M-3H"	-3.021828
"506335"	285.222424	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M-3H"	-3.021828
"884137"	94.402624	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-3H"	-3.021828
"685"	285.222424	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M-2H"	-2.014552
"440806"	428.337274	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M-2H"	-2.014552
"818005"	142.107574	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-2H"	-2.014552
"79084"	571.452124	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M-H"	-1.007276
"519617"	857.681824	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M-H"	-1.007276
"896082"	285.222424	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-H"	-1.007276
"47381"	588.478671	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M-2H+NH4"	16.019271
"488077"	874.708371	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M-2H+NH4"	16.019271
"865152"	302.248971	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-2H+NH4"	16.019271
"31631"	593.434066	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M-2H+Na"	20.974666
"472004"	879.663766	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M-2H+Na"	20.974666
"848792"	307.204366	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-2H+Na"	20.974666
"1619341"	307.204366	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Na-2H"	20.974666
"94693"	303.210763	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M-H+Cl"	33.962126
"534940"	446.325613	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M-H+Cl"	33.962126
"927522"	160.095913	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-H+Cl"	33.962126
"267621"	607.428802	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+Cl"	34.969402
"674880"	893.658502	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+Cl"	34.969402
"1284609"	321.199102	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Cl"	34.969402
"30326"	609.408006	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M-2H+K"	36.948606
"464541"	895.637706	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M-2H+K"	36.948606
"839066"	323.178306	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-2H+K"	36.948606
"1557451"	323.178306	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+K-2H"	36.948606
"947158"	331.227894	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-H+HCOOH"	44.998194
"362336"	617.457601	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+HCOOH-H"	44.998201
"348162"	631.473251	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+Hac-H"	59.013851
"1502460"	345.243551	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Hac-H"	59.013851
"966720"	353.209851	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-H+NaCOOH"	66.980151
"113441"	321.199102	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+2Cl"	69.938804
"552270"	464.313952	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+2Cl"	69.938804
"1022038"	178.084252	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2Cl"	69.938804
"1242589"	365.148585	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Br"	78.918885
"1307116"	367.204572	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Cl+HCOOH"	80.974872
"1322424"	389.186529	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Cl+NaCOOH"	102.956829
"914217"	399.215286	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M-H+CF3COOH"	112.985586
"1291290"	435.191964	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Cl+CF3COOH"	148.962264
"1370544"	251.217024	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H-2H2O"	-35.012676
"1386947"	269.227	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H-H2O"	-17.0027
"287731"	573.466676	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+H"	1.007276
"689268"	859.696376	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+H"	1.007276
"1364158"	287.236976	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H"	1.007276
"135955"	287.236976	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+2H"	2.014552
"574419"	430.351826	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+2H"	2.014552
"1050876"	144.122126	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2H"	2.014552
"213309"	191.827076	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+3H"	3.021828
"653961"	287.236976	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+3H"	3.021828
"1176099"	96.417176	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+3H"	3.021828
"436459"	590.493223	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+NH4"	18.033823
"796361"	876.722923	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+NH4"	18.033823
"1689409"	304.263523	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+NH4"	18.033823
"337688"	295.7502495	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+H+NH4"	19.041099
"730106"	438.8650995	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+H+NH4"	19.041099
"1482834"	152.6353995	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H+NH4"	19.041099
"399325"	595.448618	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+Na"	22.989218
"755944"	881.678318	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+Na"	22.989218
"1607325"	309.218918	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Na"	22.989218
"317362"	298.227947	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+H+Na"	23.996494
"709416"	441.342797	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+H+Na"	23.996494
"1463600"	155.113097	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H+Na"	23.996494
"1055757"	103.74449	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2H+Na"	25.00377
"1258526"	319.263186	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+CH3OH+H"	33.033486
"379289"	611.422558	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+K"	38.963158
"742468"	897.652258	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+K"	38.963158
"1543427"	325.192858	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+K"	38.963158
"301694"	306.214917	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+H+K"	39.970434
"706048"	449.329767	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+H+K"	39.970434
"1455612"	163.100067	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H+K"	39.970434
"243121"	614.493226	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+ACN+H"	42.033826
"1218017"	328.263526	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+ACN+H"	42.033826
"1200806"	164.635401	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+ACN+2H"	43.041102
"201333"	617.43056	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+2Na-H"	44.97116
"635425"	903.66026	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+2Na-H"	44.97116
"1144401"	331.20086	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2Na-H"	44.97116
"181129"	309.218918	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+2Na"	45.978436
"622878"	452.333768	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+2Na"	45.978436
"1129664"	166.104068	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2Na"	45.978436
"1409908"	111.071804	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H+2Na"	46.985712
"1435827"	333.242446	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H+HCOOH"	47.012746
"225158"	314.25194	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+3H2O+2H"	56.04448
"1518688"	347.29449	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+IsoProp+H"	61.06479
"420563"	317.205888	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+Na+K"	61.952376
"778277"	460.320738	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+Na+K"	61.952376
"1670597"	174.091038	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Na+K"	61.952376
"256023"	636.475168	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+ACN+Na"	64.015768
"1232740"	350.245468	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+ACN+Na"	64.015768
"1717251"	350.268993	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+NH4+HCOOH"	64.039293
"1180785"	118.399118	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+3Na"	68.967654
"1651281"	355.224388	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Na+HCOOH"	68.994688
"158508"	649.37844	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+2K-H"	76.91904
"598674"	935.60814	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+2K-H"	76.91904
"1084440"	363.14874	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2K-H"	76.91904
"152290"	325.192858	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"2M+2K"	77.926316
"590757"	468.307708	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"3M+2K"	77.926316
"1080740"	182.078008	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2K"	77.926316
"1112858"	365.163292	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2K+H"	78.933592
"1344867"	365.250907	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+DMSO+H"	79.021207
"1017770"	369.290076	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2ACN+H"	83.060376
"1538937"	370.283708	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+IsoProp+Na+H"	84.054008
"999065"	185.148676	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+2ACN+2H"	84.067652
"1597943"	371.198328	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+K+HCOOH"	84.968628
"1429639"	401.229838	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+H+CF3COOH"	115.000138
"1156077"	205.661951	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+3ACN+2H"	125.094202
"1703441"	418.256385	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+NH4+CF3COOH"	132.026685
"1641280"	423.21178	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+Na+CF3COOH"	136.98208
"1575837"	439.18572	"C20148"	"9beta-Pimara-715-dien-19-al"	"C20H30O"	"286.2297"	"M+K+CF3COOH"	152.95602
"803285"	302.2246	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M"	0
"979738"	283.20621	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"65062"	200.475790666667	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"506445"	301.217324	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"880355"	99.7342573333333	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"510"	301.217324	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"441281"	452.329624	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"817346"	150.105024	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"78918"	603.441924	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"518558"	905.666524	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"895944"	301.217324	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"48025"	620.468471	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"487291"	922.693071	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"864686"	318.243871	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"31629"	625.423866	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"471484"	927.648466	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"848657"	323.199266	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1618677"	323.199266	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"94399"	319.205663	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"534398"	470.317963	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"927383"	168.093363	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"267291"	639.418602	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"672316"	941.643202	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1280345"	337.194002	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"19621"	641.397806	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"465744"	943.622406	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"839176"	339.173206	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1559384"	339.173206	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"952735"	347.222794	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"363297"	649.447401	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"350459"	663.463051	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1504757"	361.238451	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"963550"	369.204751	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"113551"	337.194002	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"552381"	488.306302	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1021783"	186.081702	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1241727"	381.143485	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1307225"	383.199472	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1322534"	405.181429	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"914327"	415.210186	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1291034"	451.186864	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1367735"	267.211924	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1383406"	285.2219	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"288934"	605.456476	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"683542"	907.681076	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1355881"	303.231876	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"132783"	303.231876	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"570155"	454.344176	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1045519"	152.119576	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"211230"	202.490342666667	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"651155"	303.231876	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1174386"	101.748809333333	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"436569"	622.483023	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"796471"	924.707623	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1688426"	320.258423	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"335611"	311.7451495	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"730216"	462.8574495	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1480758"	160.6328495	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"398342"	627.438418	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"757512"	929.663018	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1605249"	325.213818	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"317472"	314.222847	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"709524"	465.335147	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1464072"	163.110547	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1054408"	109.076123333333	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1259363"	335.258086	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"378305"	643.412358	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"741485"	945.636958	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1542443"	341.187758	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"299625"	322.209817	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"702995"	473.322117	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1455722"	171.097517	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"240679"	646.483026	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1213752"	344.258426	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1199823"	172.632851	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"201443"	649.42036	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"635535"	951.64496	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1145604"	347.19576	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"183426"	325.213818	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"624081"	476.326118	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1127589"	174.101518	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1410017"	116.403437333333	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1437030"	349.237346	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"232923"	330.24684	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1522079"	363.28939	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"418487"	333.200788	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"778387"	484.313088	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1669979"	182.088488	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"258320"	668.464968	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1235037"	366.240368	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1720641"	366.263893	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1183812"	123.730751333333	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1652245"	371.219288	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"160565"	681.36824	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"599151"	983.59284	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1086576"	379.14364	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"152401"	341.187758	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"590867"	492.300058	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1080850"	190.075458	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1106405"	381.158192	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1344977"	381.245807	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1019704"	385.284976	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1539292"	386.278608	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"1004280"	193.146126	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1600240"	387.193228	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1429180"	417.224738	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1159468"	213.659401	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1706831"	434.251285	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1641390"	439.20668	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1575947"	455.18062	"C20149"	"9beta-Pimara-715-dien-19-oate"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"801500"	288.2453	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M"	0
"978751"	269.22691	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-H2O-H"	-19.01839
"68089"	191.156257333333	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M-3H"	-3.021828
"504003"	287.238024	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M-3H"	-3.021828
"879982"	95.0744906666666	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-3H"	-3.021828
"46"	287.238024	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M-2H"	-2.014552
"440077"	431.360674	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M-2H"	-2.014552
"817086"	143.115374	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-2H"	-2.014552
"78580"	575.483324	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M-H"	-1.007276
"518616"	863.728624	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M-H"	-1.007276
"895687"	287.238024	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-H"	-1.007276
"47446"	592.509871	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M-2H+NH4"	16.019271
"487220"	880.755171	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M-2H+NH4"	16.019271
"864386"	304.264571	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-2H+NH4"	16.019271
"31581"	597.465266	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M-2H+Na"	20.974666
"471442"	885.710566	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M-2H+Na"	20.974666
"848589"	309.219966	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-2H+Na"	20.974666
"1618586"	309.219966	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Na-2H"	20.974666
"94358"	305.226363	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M-H+Cl"	33.962126
"534243"	449.349013	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M-H+Cl"	33.962126
"927088"	161.103713	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-H+Cl"	33.962126
"267148"	611.460002	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+Cl"	34.969402
"670239"	899.705302	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+Cl"	34.969402
"1280455"	323.214702	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Cl"	34.969402
"19364"	613.439206	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M-2H+K"	36.948606
"464761"	901.684506	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M-2H+K"	36.948606
"836006"	325.193906	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-2H+K"	36.948606
"1559494"	325.193906	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+K-2H"	36.948606
"953938"	333.243494	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-H+HCOOH"	44.998194
"361456"	621.488801	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+HCOOH-H"	44.998201
"349476"	635.504451	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+Hac-H"	59.013851
"1502681"	347.259151	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Hac-H"	59.013851
"960745"	355.225451	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-H+NaCOOH"	66.980151
"111837"	323.214702	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+2Cl"	69.938804
"552855"	467.337352	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+2Cl"	69.938804
"1021892"	179.092052	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2Cl"	69.938804
"1242077"	367.164185	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Br"	78.918885
"1307336"	369.220172	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Cl+HCOOH"	80.974872
"1320821"	391.202129	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Cl+NaCOOH"	102.956829
"913709"	401.230886	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M-H+CF3COOH"	112.985586
"1288959"	437.207564	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Cl+CF3COOH"	148.962264
"1368578"	253.232624	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H-2H2O"	-35.012676
"1383515"	271.2426	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H-H2O"	-17.0027
"287952"	577.497876	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+H"	1.007276
"682559"	865.743176	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+H"	1.007276
"1355627"	289.252576	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H"	1.007276
"132893"	289.252576	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+2H"	2.014552
"572452"	433.375226	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+2H"	2.014552
"1041254"	145.129926	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2H"	2.014552
"210246"	193.170809333333	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+3H"	3.021828
"649079"	289.252576	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+3H"	3.021828
"1174496"	97.0890426666667	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+3H"	3.021828
"435586"	594.524423	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+NH4"	18.033823
"795488"	882.769723	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+NH4"	18.033823
"1688536"	306.279123	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+NH4"	18.033823
"333534"	297.7658495	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+H+NH4"	19.041099
"729234"	441.8884995	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+H+NH4"	19.041099
"1480866"	153.6431995	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H+NH4"	19.041099
"395171"	599.479818	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+Na"	22.989218
"755072"	887.725118	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+Na"	22.989218
"1603294"	311.234518	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Na"	22.989218
"314461"	300.243547	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+H+Na"	23.996494
"707934"	444.366197	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+H+Na"	23.996494
"1461995"	156.120897	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H+Na"	23.996494
"1053788"	104.416356666667	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2H+Na"	25.00377
"1257075"	321.278786	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+CH3OH+H"	33.033486
"377277"	615.453758	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+K"	38.963158
"739041"	903.699058	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+K"	38.963158
"1540486"	327.208458	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+K"	38.963158
"298674"	308.230517	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+H+K"	39.970434
"702012"	452.353167	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+H+K"	39.970434
"1454739"	164.107867	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H+K"	39.970434
"244435"	618.524426	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+ACN+H"	42.033826
"1219331"	330.279126	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+ACN+H"	42.033826
"1203214"	165.643201	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+ACN+2H"	43.041102
"198272"	621.46176	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+2Na-H"	44.97116
"635645"	909.70706	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+2Na-H"	44.97116
"1141340"	333.21646	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2Na-H"	44.97116
"183536"	311.234518	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+2Na"	45.978436
"624191"	455.357168	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+2Na"	45.978436
"1128792"	167.111868	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2Na"	45.978436
"1411221"	111.743670666667	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H+2Na"	46.985712
"1438963"	335.258046	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H+HCOOH"	47.012746
"228660"	316.26754	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+3H2O+2H"	56.04448
"1520002"	349.31009	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+IsoProp+H"	61.06479
"416410"	319.221488	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+Na+K"	61.952376
"778497"	463.344138	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+Na+K"	61.952376
"1671182"	175.098838	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Na+K"	61.952376
"255149"	640.506368	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+ACN+Na"	64.015768
"1232959"	352.261068	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+ACN+Na"	64.015768
"1717471"	352.284593	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+NH4+HCOOH"	64.039293
"1179180"	119.070984666667	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+3Na"	68.967654
"1651987"	357.239988	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Na+HCOOH"	68.994688
"158240"	653.40964	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+2K-H"	76.91904
"598043"	941.65494	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+2K-H"	76.91904
"1084255"	365.16434	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2K-H"	76.91904
"151417"	327.208458	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"2M+2K"	77.926316
"589884"	471.331108	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"3M+2K"	77.926316
"1079868"	183.085808	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2K"	77.926316
"1107609"	367.178892	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2K+H"	78.933592
"1347274"	367.266507	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+DMSO+H"	79.021207
"1020179"	371.305676	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2ACN+H"	83.060376
"1537209"	372.299308	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+IsoProp+Na+H"	84.054008
"1004511"	186.156476	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+2ACN+2H"	84.067652
"1600350"	373.213928	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+K+HCOOH"	84.968628
"1429290"	403.245438	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+H+CF3COOH"	115.000138
"1157392"	206.669751	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+3ACN+2H"	125.094202
"1706941"	420.271985	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+NH4+CF3COOH"	132.026685
"1641500"	425.22738	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+Na+CF3COOH"	136.98208
"1576057"	441.20132	"C20150"	"ent-11beta-Hydroxycassa-1215-diene"	"C20H32O"	"288.2453"	"M+K+CF3COOH"	152.95602
"801803"	362.2457	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M"	0
"978132"	343.22731	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-H2O-H"	-19.01839
"68199"	240.489857333333	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M-3H"	-3.021828
"506663"	361.238424	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M-3H"	-3.021828
"880820"	119.741290666667	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-3H"	-3.021828
"727"	361.238424	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M-2H"	-2.014552
"440408"	542.361274	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M-2H"	-2.014552
"817278"	180.115574	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-2H"	-2.014552
"79049"	723.484124	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M-H"	-1.007276
"519213"	1085.729824	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M-H"	-1.007276
"896284"	361.238424	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-H"	-1.007276
"47350"	740.510671	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M-2H+NH4"	16.019271
"487307"	1102.756371	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M-2H+NH4"	16.019271
"864739"	378.264971	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-2H+NH4"	16.019271
"32157"	745.466066	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M-2H+Na"	20.974666
"471763"	1107.711766	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M-2H+Na"	20.974666
"848798"	383.220366	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-2H+Na"	20.974666
"1618493"	383.220366	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Na-2H"	20.974666
"94612"	379.226763	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M-H+Cl"	33.962126
"534454"	560.349613	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M-H+Cl"	33.962126
"927561"	198.103913	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-H+Cl"	33.962126
"267496"	759.460802	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+Cl"	34.969402
"667431"	1121.706502	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+Cl"	34.969402
"1279472"	397.215102	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Cl"	34.969402
"20933"	761.440006	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M-2H+K"	36.948606
"456845"	1123.685706	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M-2H+K"	36.948606
"837205"	399.194306	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-2H+K"	36.948606
"1556688"	399.194306	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+K-2H"	36.948606
"952955"	407.243894	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-H+HCOOH"	44.998194
"366798"	769.489601	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+HCOOH-H"	44.998201
"351774"	783.505251	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+Hac-H"	59.013851
"1500605"	421.259551	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Hac-H"	59.013851
"962679"	429.225851	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-H+NaCOOH"	66.980151
"117052"	397.215102	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+2Cl"	69.938804
"557705"	578.337952	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+2Cl"	69.938804
"1021594"	216.092252	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2Cl"	69.938804
"1241827"	441.164585	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Br"	78.918885
"1310726"	443.220572	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Cl+HCOOH"	80.974872
"1322021"	465.202529	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Cl+NaCOOH"	102.956829
"917100"	475.231286	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M-H+CF3COOH"	112.985586
"1294901"	511.207964	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Cl+CF3COOH"	148.962264
"1368689"	327.233024	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H-2H2O"	-35.012676
"1387277"	345.243	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H-H2O"	-17.0027
"291342"	725.498676	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+H"	1.007276
"679388"	1087.744376	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+H"	1.007276
"1355737"	363.252976	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H"	1.007276
"131905"	363.252976	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+2H"	2.014552
"575844"	544.375826	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+2H"	2.014552
"1040270"	182.130126	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2H"	2.014552
"207442"	242.504409333333	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+3H"	3.021828
"651012"	363.252976	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+3H"	3.021828
"1166951"	121.755842666667	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+3H"	3.021828
"435696"	742.525223	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+NH4"	18.033823
"793410"	1104.770923	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+NH4"	18.033823
"1688646"	380.279523	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+NH4"	18.033823
"333644"	371.7662495	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+H+NH4"	19.041099
"728251"	552.8890995	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+H+NH4"	19.041099
"1479884"	190.6433995	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H+NH4"	19.041099
"394553"	747.480618	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+Na"	22.989218
"756275"	1109.726318	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+Na"	22.989218
"1603764"	385.234918	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Na"	22.989218
"315506"	374.243947	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+H+Na"	23.996494
"709012"	555.366797	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+H+Na"	23.996494
"1463562"	193.121097	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H+Na"	23.996494
"1053291"	129.083156666667	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2H+Na"	25.00377
"1258494"	395.279186	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+CH3OH+H"	33.033486
"377795"	763.454558	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+K"	38.963158
"740001"	1125.700258	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+K"	38.963158
"1541569"	401.208858	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+K"	38.963158
"299595"	382.230917	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+H+K"	39.970434
"701029"	563.353767	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+H+K"	39.970434
"1458496"	201.108067	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H+K"	39.970434
"244545"	766.525226	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+ACN+H"	42.033826
"1221632"	404.279526	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+ACN+H"	42.033826
"1206971"	202.643401	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+ACN+2H"	43.041102
"199477"	769.46256	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+2Na-H"	44.97116
"636849"	1131.70826	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+2Na-H"	44.97116
"1139263"	407.21686	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2Na-H"	44.97116
"182553"	385.234918	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+2Na"	45.978436
"623209"	566.357768	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+2Na"	45.978436
"1126716"	204.112068	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2Na"	45.978436
"1410604"	136.410470666667	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H+2Na"	46.985712
"1435793"	409.258446	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H+HCOOH"	47.012746
"229863"	390.26794	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+3H2O+2H"	56.04448
"1516832"	423.31049	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+IsoProp+H"	61.06479
"414333"	393.221888	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+Na+K"	61.952376
"774235"	574.344738	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+Na+K"	61.952376
"1667647"	212.099038	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Na+K"	61.952376
"252343"	788.507168	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+ACN+Na"	64.015768
"1231977"	426.261468	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+ACN+Na"	64.015768
"1716488"	426.284993	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+NH4+HCOOH"	64.039293
"1179409"	143.737784666667	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+3Na"	68.967654
"1650150"	431.240388	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Na+HCOOH"	68.994688
"158228"	801.41044	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+2K-H"	76.91904
"598395"	1163.65614	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+2K-H"	76.91904
"1084488"	439.16474	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2K-H"	76.91904
"149341"	401.208858	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"2M+2K"	77.926316
"588901"	582.331708	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"3M+2K"	77.926316
"1084172"	220.086008	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2K"	77.926316
"1115622"	441.179292	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2K+H"	78.933592
"1351142"	441.266907	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+DMSO+H"	79.021207
"1021142"	445.306076	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2ACN+H"	83.060376
"1539510"	446.299708	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+IsoProp+Na+H"	84.054008
"1002677"	223.156676	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+2ACN+2H"	84.067652
"1599367"	447.214328	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+K+HCOOH"	84.968628
"1428309"	477.245838	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+H+CF3COOH"	115.000138
"1159690"	243.669951	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+3ACN+2H"	125.094202
"1711426"	494.272385	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+NH4+CF3COOH"	132.026685
"1641610"	499.22778	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+Na+CF3COOH"	136.98208
"1576167"	515.20172	"C20151"	"10beta14beta-Dihydroxytaxa-4(20)11-dien-5alpha-yl acetate;5alpha-Acetoxy-10beta14beta-dihydroxytaxadiene"	"C22H34O4"	"362.2457"	"M+K+CF3COOH"	152.95602
"802157"	504.2723	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M"	0
"978970"	485.25391	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-H2O-H"	-19.01839
"66120"	335.174257333333	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M-3H"	-3.021828
"503977"	503.265024	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M-3H"	-3.021828
"880440"	167.083490666667	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-3H"	-3.021828
"1568"	503.265024	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M-2H"	-2.014552
"441490"	755.401174	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M-2H"	-2.014552
"818446"	251.128874	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-2H"	-2.014552
"79287"	1007.537324	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M-H"	-1.007276
"518838"	1511.809624	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M-H"	-1.007276
"895950"	503.265024	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-H"	-1.007276
"47741"	1024.563871	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M-2H+NH4"	16.019271
"488152"	1528.836171	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M-2H+NH4"	16.019271
"864226"	520.291571	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-2H+NH4"	16.019271
"32154"	1029.519266	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M-2H+Na"	20.974666
"471631"	1533.791566	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M-2H+Na"	20.974666
"850493"	525.246966	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-2H+Na"	20.974666
"1620026"	525.246966	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Na-2H"	20.974666
"95583"	521.253363	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M-H+Cl"	33.962126
"536114"	773.389513	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M-H+Cl"	33.962126
"927680"	269.117213	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-H+Cl"	33.962126
"267572"	1043.514002	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+Cl"	34.969402
"662801"	1547.786302	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+Cl"	34.969402
"1278487"	539.241702	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Cl"	34.969402
"21043"	1045.493206	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M-2H+K"	36.948606
"458048"	1549.765506	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M-2H+K"	36.948606
"837315"	541.220906	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-2H+K"	36.948606
"1556798"	541.220906	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+K-2H"	36.948606
"953065"	549.270494	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-H+HCOOH"	44.998194
"366908"	1053.542801	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+HCOOH-H"	44.998201
"349697"	1067.558451	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+Hac-H"	59.013851
"1503995"	563.286151	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Hac-H"	59.013851
"963881"	571.252451	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-H+NaCOOH"	66.980151
"121537"	539.241702	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+2Cl"	69.938804
"560003"	791.377852	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+2Cl"	69.938804
"1022603"	287.105552	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2Cl"	69.938804
"1242543"	583.191185	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Br"	78.918885
"1309742"	585.247172	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Cl+HCOOH"	80.974872
"1321768"	607.229129	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Cl+NaCOOH"	102.956829
"917210"	617.257886	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M-H+CF3COOH"	112.985586
"1295011"	653.234564	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Cl+CF3COOH"	148.962264
"1369041"	469.259624	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H-2H2O"	-35.012676
"1387387"	487.2696	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H-H2O"	-17.0027
"291452"	1009.551876	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+H"	1.007276
"678405"	1513.824176	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+H"	1.007276
"1355847"	505.279576	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H"	1.007276
"130922"	505.279576	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+2H"	2.014552
"578504"	757.415726	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+2H"	2.014552
"1049490"	253.143426	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2H"	2.014552
"215570"	337.188809333333	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+3H"	3.021828
"647842"	505.279576	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+3H"	3.021828
"1168154"	169.098042666667	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+3H"	3.021828
"434713"	1026.578423	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+NH4"	18.033823
"794613"	1530.850723	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+NH4"	18.033823
"1685476"	522.306123	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+NH4"	18.033823
"332295"	513.7928495	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+H+NH4"	19.041099
"728361"	765.9289995	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+H+NH4"	19.041099
"1481086"	261.6566995	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H+NH4"	19.041099
"395392"	1031.533818	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+Na"	22.989218
"758571"	1535.806118	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+Na"	22.989218
"1603636"	527.261518	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Na"	22.989218
"315250"	516.270547	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+H+Na"	23.996494
"710221"	768.406697	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+H+Na"	23.996494
"1463308"	264.134397	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H+Na"	23.996494
"1057290"	176.425356666667	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2H+Na"	25.00377
"1261155"	537.305786	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+CH3OH+H"	33.033486
"378636"	1047.507758	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+K"	38.963158
"739387"	1551.780058	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+K"	38.963158
"1540585"	543.235458	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+K"	38.963158
"299955"	524.257517	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+H+K"	39.970434
"697858"	776.393667	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+H+K"	39.970434
"1454961"	272.121367	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H+K"	39.970434
"244655"	1050.578426	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+ACN+H"	42.033826
"1221741"	546.306126	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+ACN+H"	42.033826
"1204529"	273.656701	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+ACN+2H"	43.041102
"198493"	1053.51576	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+2Na-H"	44.97116
"636959"	1557.78806	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+2Na-H"	44.97116
"1136821"	549.24346	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2Na-H"	44.97116
"179746"	527.261518	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+2Na"	45.978436
"622225"	779.397668	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+2Na"	45.978436
"1124637"	275.125368	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2Na"	45.978436
"1407067"	183.752670666667	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H+2Na"	46.985712
"1435901"	551.285046	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H+HCOOH"	47.012746
"224135"	532.29454	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+3H2O+2H"	56.04448
"1511836"	565.33709	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+IsoProp+H"	61.06479
"414443"	535.248488	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+Na+K"	61.952376
"778719"	787.384638	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+Na+K"	61.952376
"1668121"	283.112338	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Na+K"	61.952376
"253547"	1072.560368	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+ACN+Na"	64.015768
"1235003"	568.288068	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+ACN+Na"	64.015768
"1720972"	568.311593	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+NH4+HCOOH"	64.039293
"1179643"	191.079984666667	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+3Na"	68.967654
"1651235"	573.266988	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Na+HCOOH"	68.994688
"159435"	1085.46364	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+2K-H"	76.91904
"599115"	1589.73594	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+2K-H"	76.91904
"1084846"	581.19134	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2K-H"	76.91904
"149451"	543.235458	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"2M+2K"	77.926316
"589011"	795.371608	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"3M+2K"	77.926316
"1083861"	291.099308	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2K"	77.926316
"1113663"	583.205892	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2K+H"	78.933592
"1349560"	583.293507	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+DMSO+H"	79.021207
"1020766"	587.332676	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2ACN+H"	83.060376
"1538402"	588.326308	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+IsoProp+Na+H"	84.054008
"1003756"	294.169976	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+2ACN+2H"	84.067652
"1600567"	589.240928	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+K+HCOOH"	84.968628
"1427326"	619.272438	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+H+CF3COOH"	115.000138
"1159800"	314.683251	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+3ACN+2H"	125.094202
"1709349"	636.298985	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+NH4+CF3COOH"	132.026685
"1638440"	641.25438	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+Na+CF3COOH"	136.98208
"1576277"	657.22832	"C20152"	"Taxusin;Taxa-4(20)11-diene-5alpha9alpha10beta13alpha-tetrayl tetraacetate"	"C28H40O8"	"504.2723"	"M+K+CF3COOH"	152.95602
"803358"	520.2672	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M"	0
"980173"	501.24881	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-H2O-H"	-19.01839
"65865"	345.837524	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M-3H"	-3.021828
"503600"	519.259924	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M-3H"	-3.021828
"880308"	172.415124	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-3H"	-3.021828
"1800"	519.259924	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M-2H"	-2.014552
"441720"	779.393524	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M-2H"	-2.014552
"818071"	259.126324	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-2H"	-2.014552
"80249"	1039.527124	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M-H"	-1.007276
"518596"	1559.794324	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M-H"	-1.007276
"895665"	519.259924	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-H"	-1.007276
"48587"	1056.553671	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M-2H+NH4"	16.019271
"489243"	1576.820871	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M-2H+NH4"	16.019271
"868626"	536.286471	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-2H+NH4"	16.019271
"32267"	1061.509066	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M-2H+Na"	20.974666
"472801"	1581.776266	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M-2H+Na"	20.974666
"849266"	541.241866	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-2H+Na"	20.974666
"1621231"	541.241866	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Na-2H"	20.974666
"94963"	537.248263	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M-H+Cl"	33.962126
"536229"	797.381863	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M-H+Cl"	33.962126
"930108"	277.114663	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-H+Cl"	33.962126
"270123"	1075.503802	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+Cl"	34.969402
"666196"	1595.771002	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+Cl"	34.969402
"1277505"	555.236602	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Cl"	34.969402
"18602"	1077.483006	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M-2H+K"	36.948606
"459257"	1597.750206	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M-2H+K"	36.948606
"837425"	557.215806	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-2H+K"	36.948606
"1568577"	557.215806	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+K-2H"	36.948606
"956824"	565.265394	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-H+HCOOH"	44.998194
"367020"	1085.532601	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+HCOOH-H"	44.998201
"347621"	1099.548251	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+Hac-H"	59.013851
"1496453"	579.281051	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Hac-H"	59.013851
"961805"	587.247351	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-H+NaCOOH"	66.980151
"112168"	555.236602	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+2Cl"	69.938804
"552823"	815.370202	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+2Cl"	69.938804
"1021579"	295.103002	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2Cl"	69.938804
"1241642"	599.186085	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Br"	78.918885
"1304294"	601.242072	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Cl+HCOOH"	80.974872
"1321148"	623.224029	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Cl+NaCOOH"	102.956829
"917320"	633.252786	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M-H+CF3COOH"	112.985586
"1294027"	669.229464	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Cl+CF3COOH"	148.962264
"1370001"	485.254524	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H-2H2O"	-35.012676
"1383489"	503.2645	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H-H2O"	-17.0027
"288282"	1041.541676	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+H"	1.007276
"676691"	1561.808876	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+H"	1.007276
"1358146"	521.274476	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H"	1.007276
"139418"	521.274476	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+2H"	2.014552
"577155"	781.408076	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+2H"	2.014552
"1049237"	261.140876	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2H"	2.014552
"216409"	347.852076	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+3H"	3.021828
"654510"	521.274476	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+3H"	3.021828
"1167171"	174.429676	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+3H"	3.021828
"439078"	1058.568223	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+NH4"	18.033823
"798006"	1578.835423	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+NH4"	18.033823
"1692151"	538.301023	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+NH4"	18.033823
"337148"	529.7877495	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+H+NH4"	19.041099
"725921"	789.9213495	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+H+NH4"	19.041099
"1480107"	269.6541495	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H+NH4"	19.041099
"395869"	1063.523618	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+Na"	22.989218
"757593"	1583.790818	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+Na"	22.989218
"1605692"	543.256418	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Na"	22.989218
"317911"	532.265447	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+H+Na"	23.996494
"711425"	792.399047	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+H+Na"	23.996494
"1465250"	272.131847	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H+Na"	23.996494
"1057400"	181.75699	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2H+Na"	25.00377
"1261268"	553.300686	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+CH3OH+H"	33.033486
"378137"	1079.497558	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+K"	38.963158
"738617"	1599.764758	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+K"	38.963158
"1540212"	559.230358	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+K"	38.963158
"300429"	540.252417	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+H+K"	39.970434
"697972"	800.386017	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+H+K"	39.970434
"1451427"	280.118817	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H+K"	39.970434
"245858"	1082.568226	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+ACN+H"	42.033826
"1216379"	562.301026	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+ACN+H"	42.033826
"1202453"	281.654151	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+ACN+2H"	43.041102
"201883"	1085.50556	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+2Na-H"	44.97116
"639983"	1605.77276	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+2Na-H"	44.97116
"1134373"	565.23836	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2Na-H"	44.97116
"181678"	543.256418	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+2Na"	45.978436
"625616"	803.390018	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+2Na"	45.978436
"1128029"	283.122818	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2Na"	45.978436
"1410457"	189.084304	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H+2Na"	46.985712
"1437104"	567.279946	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H+HCOOH"	47.012746
"226797"	548.28944	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+3H2O+2H"	56.04448
"1519235"	581.33199	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+IsoProp+H"	61.06479
"410534"	551.243388	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+Na+K"	61.952376
"782108"	811.376988	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+Na+K"	61.952376
"1669323"	291.109788	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Na+K"	61.952376
"255116"	1104.550168	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+ACN+Na"	64.015768
"1238757"	584.282968	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+ACN+Na"	64.015768
"1721082"	584.306493	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+NH4+HCOOH"	64.039293
"1180239"	196.411618	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+3Na"	68.967654
"1651832"	589.261888	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Na+HCOOH"	68.994688
"160274"	1117.45344	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+2K-H"	76.91904
"599833"	1637.72064	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+2K-H"	76.91904
"1085684"	597.18624	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2K-H"	76.91904
"142057"	559.230358	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"2M+2K"	77.926316
"582225"	819.363958	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"3M+2K"	77.926316
"1084138"	299.096758	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2K"	77.926316
"1114507"	599.200792	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2K+H"	78.933592
"1349549"	599.288407	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+DMSO+H"	79.021207
"1020759"	603.327576	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2ACN+H"	83.060376
"1537176"	604.321208	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+IsoProp+Na+H"	84.054008
"1003259"	302.167426	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+2ACN+2H"	84.067652
"1599584"	605.235828	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+K+HCOOH"	84.968628
"1428531"	635.267338	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+H+CF3COOH"	115.000138
"1161733"	322.680701	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+3ACN+2H"	125.094202
"1708366"	652.293885	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+NH4+CF3COOH"	132.026685
"1639643"	657.24928	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+Na+CF3COOH"	136.98208
"1576387"	673.22322	"C20153"	"7beta-Hydroxytaxusin"	"C28H40O9"	"520.2672"	"M+K+CF3COOH"	152.95602
"801455"	242.0943	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M"	0
"979190"	223.07591	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-H2O-H"	-19.01839
"66341"	160.388924	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M-3H"	-3.021828
"505899"	241.087024	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M-3H"	-3.021828
"881027"	79.690824	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-3H"	-3.021828
"3366"	241.087024	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M-2H"	-2.014552
"442924"	362.134174	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M-2H"	-2.014552
"817158"	120.039874	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-2H"	-2.014552
"78895"	483.181324	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M-H"	-1.007276
"519305"	725.275624	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M-H"	-1.007276
"895717"	241.087024	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-H"	-1.007276
"49185"	500.207871	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M-2H+NH4"	16.019271
"488989"	742.302171	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M-2H+NH4"	16.019271
"866914"	258.113571	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-2H+NH4"	16.019271
"32988"	505.163266	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M-2H+Na"	20.974666
"471625"	747.257566	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M-2H+Na"	20.974666
"851443"	263.068966	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-2H+Na"	20.974666
"1618626"	263.068966	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Na-2H"	20.974666
"94627"	259.075363	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M-H+Cl"	33.962126
"536703"	380.122513	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M-H+Cl"	33.962126
"929125"	138.028213	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-H+Cl"	33.962126
"268411"	519.158002	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+Cl"	34.969402
"666306"	761.252302	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+Cl"	34.969402
"1277615"	277.063702	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Cl"	34.969402
"19440"	521.137206	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M-2H+K"	36.948606
"459367"	763.231506	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M-2H+K"	36.948606
"839723"	279.042906	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-2H+K"	36.948606
"1566500"	279.042906	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+K-2H"	36.948606
"956570"	287.092494	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-H+HCOOH"	44.998194
"370410"	529.186801	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+HCOOH-H"	44.998201
"349918"	543.202451	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+Hac-H"	59.013851
"1499843"	301.108151	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Hac-H"	59.013851
"965196"	309.074451	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-H+NaCOOH"	66.980151
"113010"	277.063702	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+2Cl"	69.938804
"552569"	398.110852	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+2Cl"	69.938804
"1023920"	156.016552	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2Cl"	69.938804
"1242405"	321.013185	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Br"	78.918885
"1305948"	323.069172	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Cl+HCOOH"	80.974872
"1321261"	345.051129	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Cl+NaCOOH"	102.956829
"919617"	355.079886	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M-H+CF3COOH"	112.985586
"1294137"	391.056564	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Cl+CF3COOH"	148.962264
"1374485"	207.081624	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H-2H2O"	-35.012676
"1388702"	225.0916	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H-H2O"	-17.0027
"294952"	485.195876	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+H"	1.007276
"679718"	727.290176	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+H"	1.007276
"1362629"	243.101576	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H"	1.007276
"138804"	243.101576	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+2H"	2.014552
"577265"	364.148726	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+2H"	2.014552
"1048619"	122.054426	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2H"	2.014552
"216886"	162.403476	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+3H"	3.021828
"656807"	243.101576	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+3H"	3.021828
"1168374"	81.705376	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+3H"	3.021828
"438215"	502.222423	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+NH4"	18.033823
"798116"	744.316723	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+NH4"	18.033823
"1694448"	260.128123	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+NH4"	18.033823
"337258"	251.6148495	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+H+NH4"	19.041099
"726760"	372.6619995	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+H+NH4"	19.041099
"1481310"	130.5676995	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H+NH4"	19.041099
"396709"	507.177818	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+Na"	22.989218
"759890"	749.272118	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+Na"	22.989218
"1611269"	265.083518	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Na"	22.989218
"316930"	254.092547	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+H+Na"	23.996494
"709350"	375.139697	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+H+Na"	23.996494
"1463532"	133.045397	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H+Na"	23.996494
"1055325"	89.03269	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2H+Na"	25.00377
"1261374"	275.127786	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+CH3OH+H"	33.033486
"381045"	523.151758	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+K"	38.963158
"742039"	765.246058	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+K"	38.963158
"1539882"	281.057458	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+K"	38.963158
"299931"	262.079517	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+H+K"	39.970434
"696989"	383.126667	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+H+K"	39.970434
"1454087"	141.032367	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H+K"	39.970434
"240865"	526.222426	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+ACN+H"	42.033826
"1217582"	284.128126	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+ACN+H"	42.033826
"1204749"	142.567701	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+ACN+2H"	43.041102
"200171"	529.15976	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+2Na-H"	44.97116
"640457"	771.25406	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+2Na-H"	44.97116
"1135214"	287.06546	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2Na-H"	44.97116
"179601"	265.083518	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+2Na"	45.978436
"625362"	386.130668	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+2Na"	45.978436
"1125950"	144.036368	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2Na"	45.978436
"1409473"	96.360004	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H+2Na"	46.985712
"1439400"	289.107046	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H+HCOOH"	47.012746
"225084"	270.11654	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+3H2O+2H"	56.04448
"1510594"	303.15909	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+IsoProp+H"	61.06479
"411374"	273.070488	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+Na+K"	61.952376
"781124"	394.117638	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+Na+K"	61.952376
"1671987"	152.023338	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Na+K"	61.952376
"259599"	548.204368	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+ACN+Na"	64.015768
"1239233"	306.110068	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+ACN+Na"	64.015768
"1721192"	306.133593	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+NH4+HCOOH"	64.039293
"1178657"	103.687318	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+3Na"	68.967654
"1651335"	311.088988	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Na+HCOOH"	68.994688
"160019"	561.10764	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+2K-H"	76.91904
"597267"	803.20194	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+2K-H"	76.91904
"1084947"	319.01334	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2K-H"	76.91904
"142372"	281.057458	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"2M+2K"	77.926316
"582783"	402.104608	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"3M+2K"	77.926316
"1083475"	160.010308	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2K"	77.926316
"1115542"	321.027892	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2K+H"	78.933592
"1350882"	321.115507	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+DMSO+H"	79.021207
"1020863"	325.154676	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2ACN+H"	83.060376
"1537286"	326.148308	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+IsoProp+Na+H"	84.054008
"1004827"	163.080976	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+2ACN+2H"	84.067652
"1599330"	327.062928	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+K+HCOOH"	84.968628
"1429370"	357.094438	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+H+CF3COOH"	115.000138
"1161114"	183.594251	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+3ACN+2H"	125.094202
"1708476"	374.120985	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+NH4+CF3COOH"	132.026685
"1639753"	379.07638	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+Na+CF3COOH"	136.98208
"1576497"	395.05032	"C20154"	"3-Methoxy-45-dihydroxy-trans-stilbene"	"C15H14O3"	"242.0943"	"M+K+CF3COOH"	152.95602
"801710"	167.0443	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M"	0
"974803"	148.02591	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-H2O-H"	-19.01839
"67544"	110.355590666667	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M-3H"	-3.021828
"504187"	166.037024	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M-3H"	-3.021828
"880894"	54.6741573333333	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-3H"	-3.021828
"229"	166.037024	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M-2H"	-2.014552
"440969"	249.559174	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M-2H"	-2.014552
"817466"	82.514874	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-2H"	-2.014552
"78756"	333.081324	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M-H"	-1.007276
"518638"	500.125624	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M-H"	-1.007276
"895871"	166.037024	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-H"	-1.007276
"50390"	350.107871	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M-2H+NH4"	16.019271
"489221"	517.152171	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M-2H+NH4"	16.019271
"865930"	183.063571	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-2H+NH4"	16.019271
"33585"	355.063266	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M-2H+Na"	20.974666
"473144"	522.107566	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M-2H+Na"	20.974666
"850096"	188.018966	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-2H+Na"	20.974666
"1618532"	188.018966	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Na-2H"	20.974666
"94611"	184.025363	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M-H+Cl"	33.962126
"536448"	267.547513	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M-H+Cl"	33.962126
"928869"	100.503213	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-H+Cl"	33.962126
"269250"	369.058002	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+Cl"	34.969402
"665323"	536.102302	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+Cl"	34.969402
"1277725"	202.013702	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Cl"	34.969402
"21374"	371.037206	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M-2H+K"	36.948606
"455953"	538.081506	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M-2H+K"	36.948606
"839833"	203.992906	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-2H+K"	36.948606
"1564416"	203.992906	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+K-2H"	36.948606
"947924"	212.042494	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-H+HCOOH"	44.998194
"370520"	379.086801	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+HCOOH-H"	44.998201
"350029"	393.102451	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+Hac-H"	59.013851
"1496673"	226.058151	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Hac-H"	59.013851
"959351"	234.024451	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-H+NaCOOH"	66.980151
"110100"	202.013702	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+2Cl"	69.938804
"550209"	285.535852	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+2Cl"	69.938804
"1021408"	118.491552	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2Cl"	69.938804
"1242515"	245.963185	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Br"	78.918885
"1306058"	248.019172	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Cl+HCOOH"	80.974872
"1322100"	270.001129	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Cl+NaCOOH"	102.956829
"924102"	280.029886	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M-H+CF3COOH"	112.985586
"1293155"	316.006564	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Cl+CF3COOH"	148.962264
"1372408"	132.031624	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H-2H2O"	-35.012676
"1385532"	150.0416	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H-H2O"	-17.0027
"295062"	335.095876	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+H"	1.007276
"679828"	502.140176	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+H"	1.007276
"1362739"	168.051576	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H"	1.007276
"138914"	168.051576	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+2H"	2.014552
"578107"	251.573726	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+2H"	2.014552
"1049096"	84.529426	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2H"	2.014552
"216628"	112.370142666667	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+3H"	3.021828
"656917"	168.051576	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+3H"	3.021828
"1168485"	56.6887093333333	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+3H"	3.021828
"437232"	352.122423	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+NH4"	18.033823
"796040"	519.166723	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+NH4"	18.033823
"1692371"	185.078123	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+NH4"	18.033823
"337368"	176.5648495	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+H+NH4"	19.041099
"725413"	260.0869995	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+H+NH4"	19.041099
"1478867"	93.0426995	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H+NH4"	19.041099
"395725"	357.077818	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+Na"	22.989218
"757813"	524.122118	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+Na"	22.989218
"1608099"	190.033518	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Na"	22.989218
"315946"	179.042547	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+H+Na"	23.996494
"709460"	262.564697	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+H+Na"	23.996494
"1463278"	95.520397	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H+Na"	23.996494
"1055434"	64.0160233333333	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2H+Na"	25.00377
"1260391"	200.077786	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+CH3OH+H"	33.033486
"378969"	373.051758	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+K"	38.963158
"743243"	540.096058	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+K"	38.963158
"1540187"	206.007458	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+K"	38.963158
"299550"	187.029517	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+H+K"	39.970434
"700378"	270.551667	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+H+K"	39.970434
"1450918"	103.507367	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H+K"	39.970434
"242797"	376.122426	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+ACN+H"	42.033826
"1217692"	209.078126	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+ACN+H"	42.033826
"1203766"	105.042701	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+ACN+2H"	43.041102
"198459"	379.05976	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+2Na-H"	44.97116
"639474"	546.10406	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+2Na-H"	44.97116
"1134230"	212.01546	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2Na-H"	44.97116
"177158"	190.033518	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+2Na"	45.978436
"617813"	273.555668	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+2Na"	45.978436
"1123871"	106.511368	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2Na"	45.978436
"1406302"	71.3433373333333	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H+2Na"	46.985712
"1436229"	214.057046	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H+HCOOH"	47.012746
"224465"	195.06654	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+3H2O+2H"	56.04448
"1509365"	228.10909	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+IsoProp+H"	61.06479
"412577"	198.020488	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+Na+K"	61.952376
"781231"	281.542638	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+Na+K"	61.952376
"1669909"	114.498338	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Na+K"	61.952376
"258616"	398.104368	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+ACN+Na"	64.015768
"1235697"	231.060068	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+ACN+Na"	64.015768
"1720209"	231.083593	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+NH4+HCOOH"	64.039293
"1178877"	78.6706513333333	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+3Na"	68.967654
"1652539"	236.038988	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Na+HCOOH"	68.994688
"157254"	411.00764	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+2K-H"	76.91904
"597338"	578.05194	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+2K-H"	76.91904
"1084772"	243.96334	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2K-H"	76.91904
"141505"	206.007458	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"2M+2K"	77.926316
"581792"	289.529608	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"3M+2K"	77.926316
"1083705"	122.485308	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2K"	77.926316
"1115338"	245.977892	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2K+H"	78.933592
"1350707"	246.065507	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+DMSO+H"	79.021207
"1021204"	250.104676	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2ACN+H"	83.060376
"1539588"	251.098308	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+IsoProp+Na+H"	84.054008
"1004210"	125.555976	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+2ACN+2H"	84.067652
"1599804"	252.012928	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+K+HCOOH"	84.968628
"1429359"	282.044438	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+H+CF3COOH"	115.000138
"1162158"	146.069251	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+3ACN+2H"	125.094202
"1712234"	299.070985	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+NH4+CF3COOH"	132.026685
"1644238"	304.02638	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+Na+CF3COOH"	136.98208
"1579887"	320.00032	"C20155"	"8-Oxoguanine"	"C5H5N5O2"	"167.0443"	"M+K+CF3COOH"	152.95602
"816451"	589.1074	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M"	0
"987070"	570.08901	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-H2O-H"	-19.01839
"73125"	391.730990666667	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M-3H"	-3.021828
"509403"	588.100124	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M-3H"	-3.021828
"883922"	195.361857333333	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-3H"	-3.021828
"1401"	588.100124	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M-2H"	-2.014552
"441689"	882.653824	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M-2H"	-2.014552
"817539"	293.546424	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-2H"	-2.014552
"80580"	1177.207524	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M-H"	-1.007276
"519651"	1766.314924	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M-H"	-1.007276
"896357"	588.100124	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-H"	-1.007276
"52324"	1194.234071	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M-2H+NH4"	16.019271
"501005"	1783.341471	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M-2H+NH4"	16.019271
"879294"	605.126671	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-2H+NH4"	16.019271
"43059"	1199.189466	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M-2H+Na"	20.974666
"479700"	1788.296866	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M-2H+Na"	20.974666
"854949"	610.082066	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-2H+Na"	20.974666
"1623023"	610.082066	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Na-2H"	20.974666
"102472"	606.088463	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M-H+Cl"	33.962126
"543125"	900.642163	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M-H+Cl"	33.962126
"933360"	311.534763	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-H+Cl"	33.962126
"274103"	1213.184202	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+Cl"	34.969402
"667620"	1802.291602	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+Cl"	34.969402
"1277837"	624.076802	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Cl"	34.969402
"29144"	1215.163406	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M-2H+K"	36.948606
"467610"	1804.270806	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M-2H+K"	36.948606
"844321"	626.056006	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-2H+K"	36.948606
"1568904"	626.056006	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+K-2H"	36.948606
"957761"	634.105594	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-H+HCOOH"	44.998194
"375733"	1223.213001	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+HCOOH-H"	44.998201
"355606"	1237.228651	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+Hac-H"	59.013851
"1501158"	648.121251	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Hac-H"	59.013851
"965422"	656.087551	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-H+NaCOOH"	66.980151
"115421"	624.076802	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+2Cl"	69.938804
"553888"	918.630502	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+2Cl"	69.938804
"1025236"	329.523102	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2Cl"	69.938804
"1248831"	668.026285	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Br"	78.918885
"1315656"	670.082272	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Cl+HCOOH"	80.974872
"1326592"	692.064229	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Cl+NaCOOH"	102.956829
"926853"	702.092986	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M-H+CF3COOH"	112.985586
"1300921"	738.069664	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Cl+CF3COOH"	148.962264
"1373614"	554.094724	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H-2H2O"	-35.012676
"1387830"	572.1047	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H-H2O"	-17.0027
"296633"	1179.222076	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+H"	1.007276
"690644"	1768.329476	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+H"	1.007276
"1364682"	590.114676	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H"	1.007276
"137935"	590.114676	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+2H"	2.014552
"577860"	884.668376	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+2H"	2.014552
"1049936"	295.560976	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2H"	2.014552
"215648"	393.745542666667	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+3H"	3.021828
"654842"	590.114676	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+3H"	3.021828
"1176256"	197.376409333333	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+3H"	3.021828
"435526"	1196.248623	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+NH4"	18.033823
"797252"	1785.356023	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+NH4"	18.033823
"1693217"	607.141223	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+NH4"	18.033823
"341494"	598.6279495	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+H+NH4"	19.041099
"735372"	893.1816495	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+H+NH4"	19.041099
"1488098"	304.0742495	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H+NH4"	19.041099
"399120"	1201.204018	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+Na"	22.989218
"757927"	1790.311418	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+Na"	22.989218
"1604929"	612.096618	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Na"	22.989218
"315089"	601.105647	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+H+Na"	23.996494
"708482"	895.659347	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+H+Na"	23.996494
"1464855"	306.551947	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H+Na"	23.996494
"1053968"	204.703723333333	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2H+Na"	25.00377
"1262696"	622.140886	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+CH3OH+H"	33.033486
"377255"	1217.177958	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+K"	38.963158
"748827"	1806.285358	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+K"	38.963158
"1547599"	628.070558	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+K"	38.963158
"306964"	609.092617	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+H+K"	39.970434
"698304"	903.646317	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+H+K"	39.970434
"1460389"	314.538917	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H+K"	39.970434
"247287"	1220.248626	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+ACN+H"	42.033826
"1222182"	631.141226	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+ACN+H"	42.033826
"1203878"	316.074251	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+ACN+2H"	43.041102
"195655"	1223.18596	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+2Na-H"	44.97116
"633028"	1812.29336	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+2Na-H"	44.97116
"1143095"	634.07856	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2Na-H"	44.97116
"180919"	612.096618	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+2Na"	45.978436
"624852"	906.650318	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+2Na"	45.978436
"1126170"	317.542918	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2Na"	45.978436
"1404225"	212.031037333333	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H+2Na"	46.985712
"1438528"	636.120146	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H+HCOOH"	47.012746
"226037"	617.12964	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+3H2O+2H"	56.04448
"1517382"	650.17219	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+IsoProp+H"	61.06479
"421807"	620.083588	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+Na+K"	61.952376
"778061"	914.637288	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+Na+K"	61.952376
"1671117"	325.529888	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Na+K"	61.952376
"255449"	1242.230568	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+ACN+Na"	64.015768
"1229252"	653.123168	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+ACN+Na"	64.015768
"1720327"	653.146693	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+NH4+HCOOH"	64.039293
"1185680"	219.358351333333	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+3Na"	68.967654
"1657760"	658.102088	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Na+HCOOH"	68.994688
"166809"	1255.13384	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+2K-H"	76.91904
"610381"	1844.24124	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+2K-H"	76.91904
"1095256"	666.02644	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2K-H"	76.91904
"152072"	628.070558	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"2M+2K"	77.926316
"584342"	922.624258	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"3M+2K"	77.926316
"1079437"	333.516858	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2K"	77.926316
"1114348"	668.040992	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2K+H"	78.933592
"1350124"	668.128607	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+DMSO+H"	79.021207
"1020475"	672.167776	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2ACN+H"	83.060376
"1538964"	673.161408	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+IsoProp+Na+H"	84.054008
"1002130"	336.587526	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+2ACN+2H"	84.067652
"1598820"	674.076028	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+K+HCOOH"	84.968628
"1427767"	704.107538	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+H+CF3COOH"	115.000138
"1160242"	357.100801	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+3ACN+2H"	125.094202
"1709791"	721.134085	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+NH4+CF3COOH"	132.026685
"1645441"	726.08948	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+Na+CF3COOH"	136.98208
"1579997"	742.06342	"C20156"	"dTDP-3-acetamido-36-dideoxy-alpha-D-galactopyranose"	"C18H29N3O15P2"	"589.1074"	"M+K+CF3COOH"	152.95602
"801428"	168.0687	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M"	0
"976240"	149.05031	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-H2O-H"	-19.01839
"63752"	111.038524	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M-3H"	-3.021828
"503078"	167.061424	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M-3H"	-3.021828
"881478"	55.015624	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-3H"	-3.021828
"901"	167.061424	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M-2H"	-2.014552
"440692"	251.095774	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M-2H"	-2.014552
"817320"	83.027074	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-2H"	-2.014552
"81783"	335.130124	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M-H"	-1.007276
"520733"	503.198824	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M-H"	-1.007276
"896585"	167.061424	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-H"	-1.007276
"50975"	352.156671	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M-2H+NH4"	16.019271
"501601"	520.225371	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M-2H+NH4"	16.019271
"879281"	184.087971	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-2H+NH4"	16.019271
"41345"	357.112066	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M-2H+Na"	20.974666
"479810"	525.180766	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M-2H+Na"	20.974666
"853966"	189.043366	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-2H+Na"	20.974666
"1624226"	189.043366	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Na-2H"	20.974666
"102582"	185.049763	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M-H+Cl"	33.962126
"543235"	269.084113	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M-H+Cl"	33.962126
"933470"	101.015413	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-H+Cl"	33.962126
"274213"	371.106802	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+Cl"	34.969402
"665544"	539.175502	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+Cl"	34.969402
"1280134"	203.038102	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Cl"	34.969402
"25973"	373.086006	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M-2H+K"	36.948606
"462253"	541.154706	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M-2H+K"	36.948606
"844431"	205.017306	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-2H+K"	36.948606
"1566827"	205.017306	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+K-2H"	36.948606
"956899"	213.066894	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-H+HCOOH"	44.998194
"367460"	381.135601	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+HCOOH-H"	44.998201
"353528"	395.151251	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+Hac-H"	59.013851
"1504183"	227.082551	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Hac-H"	59.013851
"968808"	235.048851	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-H+NaCOOH"	66.980151
"113345"	203.038102	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+2Cl"	69.938804
"551811"	287.072452	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+2Cl"	69.938804
"1023887"	119.003752	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2Cl"	69.938804
"1248941"	246.987585	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Br"	78.918885
"1317590"	249.043572	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Cl+HCOOH"	80.974872
"1333261"	271.025529	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Cl+NaCOOH"	102.956829
"917763"	281.054286	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M-H+CF3COOH"	112.985586
"1301398"	317.030964	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Cl+CF3COOH"	148.962264
"1379560"	133.056024	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H-2H2O"	-35.012676
"1396326"	151.066	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H-H2O"	-17.0027
"289815"	337.144676	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+H"	1.007276
"688444"	505.213376	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+H"	1.007276
"1364792"	169.075976	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H"	1.007276
"139138"	169.075976	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+2H"	2.014552
"579064"	253.110326	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+2H"	2.014552
"1050046"	85.041626	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2H"	2.014552
"216486"	113.053076	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+3H"	3.021828
"657504"	169.075976	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+3H"	3.021828
"1176856"	57.030176	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+3H"	3.021828
"436729"	354.171223	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+NH4"	18.033823
"796268"	522.239923	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+NH4"	18.033823
"1692598"	186.102523	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+NH4"	18.033823
"342696"	177.5892495	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+H+NH4"	19.041099
"735482"	261.6235995	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+H+NH4"	19.041099
"1490759"	93.5548995	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H+NH4"	19.041099
"403241"	359.126618	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+Na"	22.989218
"760225"	527.195318	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+Na"	22.989218
"1604676"	191.057918	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Na"	22.989218
"316172"	180.066947	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+H+Na"	23.996494
"707533"	264.101297	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+H+Na"	23.996494
"1464965"	96.032597	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H+Na"	23.996494
"1053349"	64.35749	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2H+Na"	25.00377
"1260983"	201.102186	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+CH3OH+H"	33.033486
"382473"	375.100558	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+K"	38.963158
"748938"	543.169258	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+K"	38.963158
"1548803"	207.031858	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+K"	38.963158
"307074"	188.053917	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+H+K"	39.970434
"698414"	272.088267	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+H+K"	39.970434
"1460016"	104.019567	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H+K"	39.970434
"247397"	378.171226	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+ACN+H"	42.033826
"1221199"	210.102526	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+ACN+H"	42.033826
"1202895"	105.554901	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+ACN+2H"	43.041102
"193579"	381.10856	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+2Na-H"	44.97116
"635325"	549.17726	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+2Na-H"	44.97116
"1137738"	213.03986	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2Na-H"	44.97116
"181029"	191.057918	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+2Na"	45.978436
"622775"	275.092268	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+2Na"	45.978436
"1126280"	107.023568	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2Na"	45.978436
"1404335"	71.684804	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H+2Na"	46.985712
"1435358"	215.081446	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H+HCOOH"	47.012746
"228334"	196.09094	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+3H2O+2H"	56.04448
"1520773"	229.13349	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+IsoProp+H"	61.06479
"422281"	199.044888	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+Na+K"	61.952376
"778171"	283.079238	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+Na+K"	61.952376
"1672321"	115.010538	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Na+K"	61.952376
"255559"	400.153168	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+ACN+Na"	64.015768
"1229362"	232.084468	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+ACN+Na"	64.015768
"1717518"	232.107993	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+NH4+HCOOH"	64.039293
"1182510"	79.012118	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+3Na"	68.967654
"1653497"	237.063388	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Na+HCOOH"	68.994688
"161452"	413.05644	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+2K-H"	76.91904
"609762"	581.12514	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+2K-H"	76.91904
"1093180"	244.98774	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2K-H"	76.91904
"147809"	207.031858	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"2M+2K"	77.926316
"584088"	291.066208	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"3M+2K"	77.926316
"1082951"	122.997508	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2K"	77.926316
"1114458"	247.002292	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2K+H"	78.933592
"1350356"	247.089907	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+DMSO+H"	79.021207
"1020343"	251.129076	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2ACN+H"	83.060376
"1539198"	252.122708	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+IsoProp+Na+H"	84.054008
"1004672"	126.068176	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+2ACN+2H"	84.067652
"1601968"	253.037328	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+K+HCOOH"	84.968628
"1428971"	283.068838	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+H+CF3COOH"	115.000138
"1161445"	146.581451	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+3ACN+2H"	125.094202
"1712088"	300.095385	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+NH4+CF3COOH"	132.026685
"1645551"	305.05078	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+Na+CF3COOH"	136.98208
"1580107"	321.02472	"C20157"	"beta-Carboline;Norharman"	"C11H8N2"	"168.0687"	"M+K+CF3COOH"	152.95602
"801724"	290.261	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M"	0
"978537"	271.24261	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"64592"	192.500057333333	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"505244"	289.253724	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"882317"	95.7463906666667	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"3807"	289.253724	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"441543"	434.384224	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"817637"	144.123224	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"80434"	579.514724	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"519871"	869.775724	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"896575"	289.253724	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"51814"	596.541271	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"502565"	886.802271	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"878418"	306.280271	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"40359"	601.496666	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"474815"	891.757666	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"855897"	311.235666	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1625065"	311.235666	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"108160"	307.242063	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"542251"	452.372563	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"933580"	162.111563	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"272500"	615.491402	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"664558"	905.752402	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1283525"	325.230402	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"24988"	617.470606	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"467829"	907.731606	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"845269"	327.209606	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1568030"	327.209606	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"957826"	335.259194	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"370851"	625.520201	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"355826"	639.535851	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1507817"	349.274851	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"973663"	357.241151	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"123293"	325.230402	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"554107"	470.360902	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1026184"	180.099902	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1252331"	369.179885	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1319402"	371.235872	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1334467"	393.217829	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"921152"	403.246586	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1302601"	439.223264	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1381492"	255.248324	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1396436"	273.2583	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"293205"	581.529276	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"690986"	871.790276	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1365628"	291.268276	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"140340"	291.268276	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"580881"	436.398776	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1049792"	146.137776	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"217691"	194.514609333333	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"658344"	291.268276	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1178138"	97.7609426666667	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"437568"	598.555823	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"798929"	888.816823	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1694165"	308.294823	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"343899"	299.7815495	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"735957"	444.9120495	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1486130"	154.6510495	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"403715"	603.511218	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"758149"	893.772218	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1604422"	313.250218	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"316280"	302.259247	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"708093"	447.389747	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1466898"	157.128747	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1053458"	105.088256666667	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1258782"	323.294486	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"384770"	619.485158	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"751964"	909.746158	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1550007"	329.224158	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"307185"	310.246217	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"700710"	455.376717	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1460003"	165.115717	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"249693"	622.555826	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1223495"	332.294826	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1207377"	166.651051	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"199154"	625.49316	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"637621"	915.75416	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1140034"	335.23216	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"182232"	313.250218	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"619605"	458.380718	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1127483"	168.119718	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1402258"	112.415570666667	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1433280"	337.273746	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"225161"	318.28324	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1514320"	351.32579	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"414005"	321.237188	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"778281"	466.367688	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1668054"	176.106688	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"255668"	644.537768	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1230564"	354.276768	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1720544"	354.300293	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1184807"	119.742884666667	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1655792"	359.255688	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"164843"	657.44104	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"611816"	947.70204	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1095477"	367.18004	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"150106"	329.224158	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"583104"	474.354658	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1083791"	184.093658	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1112864"	369.194592	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1345968"	369.282207	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1020453"	373.321376	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1539309"	374.315008	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"1004905"	187.164326	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1601227"	375.229628	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1427987"	405.261138	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1158275"	207.677601	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1712197"	422.287685	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1645661"	427.24308	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1580217"	443.21702	"C20158"	"(13E)-Labda-713-dien-15-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"804021"	204.1878	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M"	0
"977554"	185.16941	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64701"	135.117924	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"509729"	203.180524	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"883884"	67.055324	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"3188"	203.180524	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"443112"	305.274424	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"817306"	101.086624	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"78790"	407.368324	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"518724"	611.556124	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"896445"	203.180524	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51926"	424.394871	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502792"	628.582671	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"878282"	220.207071	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"39377"	429.350266	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479299"	633.538066	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856008"	225.162466	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620559"	225.162466	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104991"	221.168863	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"540175"	323.262763	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"936970"	119.074963	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"274433"	443.345002	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670138"	647.532802	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1288317"	239.157202	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30566"	445.324206	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"470132"	649.512006	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847855"	241.136406	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1571278"	241.136406	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957975"	249.185994	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374241"	453.373801	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360068"	467.389451	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1508375"	263.201651	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"973569"	271.167951	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123403"	239.157202	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"559683"	341.251102	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1024836"	137.063302	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252441"	283.106685	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1319269"	285.162672	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331293"	307.144629	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"922721"	317.173386	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1303077"	353.150064	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1381240"	169.175124	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1395818"	187.1851	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"295501"	409.382876	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"690850"	613.570676	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1365373"	205.195076	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H"	1.007276
"140450"	205.195076	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"580866"	307.288976	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1048806"	103.101176	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"217435"	137.132476	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"658456"	205.195076	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1175857"	69.069876	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435493"	426.409423	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799037"	630.597223	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1695003"	222.221623	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343280"	213.7083495	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"735337"	315.8022495	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1488427"	111.6144495	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"403825"	431.364818	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758259"	635.552618	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1605262"	227.177018	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315660"	216.186047	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708811"	318.279947	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1467008"	114.092147	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053078"	76.39719	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257148"	237.221286	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"382694"	447.338758	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"746970"	651.526558	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1549023"	243.150958	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+K"	38.963158
"302920"	224.173017	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"703006"	326.266917	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1454637"	122.079117	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249439"	450.409426	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1224577"	246.221626	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1207487"	123.614451	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"200357"	453.34676	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"638824"	657.53456	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1145611"	249.15896	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"187807"	227.177018	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624085"	329.270918	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1126499"	125.083118	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404555"	83.724504	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1433754"	251.200546	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"224542"	232.21004	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1515523"	265.25259	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"414115"	235.163988	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"776203"	337.257888	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678003"	133.070088	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"259058"	472.391368	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230674"	268.203568	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720654"	268.227093	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1184917"	91.051818	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1655902"	273.182488	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167140"	485.29464	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"612539"	689.48244	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1098382"	281.10684	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151309"	243.150958	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"587588"	345.244858	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1083170"	141.057058	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1114435"	283.121392	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349358"	283.209007	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1020976"	287.248176	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539297"	288.241808	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1005503"	144.127726	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598054"	289.156428	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1429720"	319.187938	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1161665"	164.641001	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711214"	336.214485	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1645771"	341.16988	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1577047"	357.14382	"C20159"	"7-epi-alpha-Selinene;(-)-7-epi-alpha-Selinene;(2S4aR8aR)-4a8-Dimethyl-2-(prop-1-en-2-yl)-12344a568a-octahydronaphthalene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"801465"	1061.4463	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M"	0
"977664"	1042.42791	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-H2O-H"	-19.01839
"63231"	706.623590666667	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M-3H"	-3.021828
"509838"	1060.439024	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M-3H"	-3.021828
"882536"	352.808157333333	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-3H"	-3.021828
"7"	1060.439024	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M-2H"	-2.014552
"439981"	1591.162174	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M-2H"	-2.014552
"817077"	529.715874	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-2H"	-2.014552
"78586"	2121.885324	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M-H"	-1.007276
"518554"	3183.331624	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M-H"	-1.007276
"895824"	1060.439024	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-H"	-1.007276
"48023"	2138.911871	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M-2H+NH4"	16.019271
"499253"	3200.358171	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M-2H+NH4"	16.019271
"877054"	1077.465571	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-2H+NH4"	16.019271
"38394"	2143.867266	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M-2H+Na"	20.974666
"473577"	3205.313566	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M-2H+Na"	20.974666
"849920"	1082.420966	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-2H+Na"	20.974666
"1618966"	1082.420966	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Na-2H"	20.974666
"104006"	1078.427363	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M-H+Cl"	33.962126
"540285"	1609.150513	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M-H+Cl"	33.962126
"930519"	547.704213	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-H+Cl"	33.962126
"267615"	2157.862002	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+Cl"	34.969402
"661496"	3219.308302	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+Cl"	34.969402
"1280465"	1096.415702	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Cl"	34.969402
"21927"	2159.841206	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M-2H+K"	36.948606
"471089"	3221.287506	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M-2H+K"	36.948606
"845496"	1098.394906	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-2H+K"	36.948606
"1571294"	1098.394906	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+K-2H"	36.948606
"958484"	1106.444494	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-H+HCOOH"	44.998194
"373988"	2167.890801	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+HCOOH-H"	44.998201
"360992"	2181.906451	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+Hac-H"	59.013851
"1508321"	1120.460151	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Hac-H"	59.013851
"974007"	1128.426451	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-H+NaCOOH"	66.980151
"123513"	1096.415702	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+2Cl"	69.938804
"556511"	1627.138852	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+2Cl"	69.938804
"1031873"	565.692552	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2Cl"	69.938804
"1252551"	1140.365185	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Br"	78.918885
"1319015"	1142.421172	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Cl+HCOOH"	80.974872
"1331403"	1164.403129	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Cl+NaCOOH"	102.956829
"914806"	1174.431886	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M-H+CF3COOH"	112.985586
"1301729"	1210.408564	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Cl+CF3COOH"	148.962264
"1380619"	1026.433624	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H-2H2O"	-35.012676
"1395928"	1044.4436	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H-H2O"	-17.0027
"295613"	2123.899876	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+H"	1.007276
"689137"	3185.346176	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+H"	1.007276
"1362932"	1062.453576	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H"	1.007276
"140926"	1062.453576	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+2H"	2.014552
"580486"	1593.176726	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+2H"	2.014552
"1050012"	531.730426	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2H"	2.014552
"218276"	708.638142666667	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+3H"	3.021828
"658201"	1062.453576	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+3H"	3.021828
"1173412"	354.822709333333	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+3H"	3.021828
"437060"	2140.926423	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+NH4"	18.033823
"799510"	3202.372723	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+NH4"	18.033823
"1690735"	1079.480123	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+NH4"	18.033823
"340108"	1070.9668495	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+H+NH4"	19.041099
"733622"	1601.6899995	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+H+NH4"	19.041099
"1486350"	540.2436995	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H+NH4"	19.041099
"403935"	2145.881818	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+Na"	22.989218
"760556"	3207.328118	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+Na"	22.989218
"1604763"	1084.435518	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Na"	22.989218
"315647"	1073.444547	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+H+Na"	23.996494
"708434"	1604.167697	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+H+Na"	23.996494
"1461889"	542.721397	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H+Na"	23.996494
"1052896"	362.150023333333	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2H+Na"	25.00377
"1258396"	1094.479786	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+CH3OH+H"	33.033486
"381711"	2161.855758	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+K"	38.963158
"747080"	3223.302058	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+K"	38.963158
"1548040"	1100.409458	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+K"	38.963158
"303028"	1081.431517	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+H+K"	39.970434
"702021"	1612.154667	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+H+K"	39.970434
"1451465"	550.708367	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H+K"	39.970434
"249549"	2164.926426	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+ACN+H"	42.033826
"1223714"	1103.480126	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+ACN+H"	42.033826
"1202128"	552.243701	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+ACN+2H"	43.041102
"200467"	2167.86376	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+2Na-H"	44.97116
"636746"	3229.31006	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+2Na-H"	44.97116
"1142441"	1106.41746	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2Na-H"	44.97116
"186095"	1084.435518	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+2Na"	45.978436
"620915"	1615.158668	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+2Na"	45.978436
"1123329"	553.712368	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2Na"	45.978436
"1404665"	369.477337333333	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H+2Na"	46.985712
"1433500"	1108.459046	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H+HCOOH"	47.012746
"223195"	1089.46854	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+3H2O+2H"	56.04448
"1517820"	1122.51109	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+IsoProp+H"	61.06479
"414225"	1092.422488	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+Na+K"	61.952376
"775220"	1623.145638	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+Na+K"	61.952376
"1674833"	561.699338	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Na+K"	61.952376
"259168"	2186.908368	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+ACN+Na"	64.015768
"1230784"	1125.462068	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+ACN+Na"	64.015768
"1718577"	1125.485593	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+NH4+HCOOH"	64.039293
"1189400"	376.804651333333	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+3Na"	68.967654
"1658199"	1130.440988	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Na+HCOOH"	68.994688
"170530"	2199.81164	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+2K-H"	76.91904
"612761"	3261.25794	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+2K-H"	76.91904
"1098613"	1138.36534	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2K-H"	76.91904
"151419"	1100.409458	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"2M+2K"	77.926316
"586605"	1631.132608	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"3M+2K"	77.926316
"1084137"	569.686308	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2K"	77.926316
"1115362"	1140.379892	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2K+H"	78.933592
"1350931"	1140.467507	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+DMSO+H"	79.021207
"1021168"	1144.506676	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2ACN+H"	83.060376
"1539727"	1145.500308	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+IsoProp+Na+H"	84.054008
"1005248"	572.756976	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+2ACN+2H"	84.067652
"1598164"	1146.414928	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+K+HCOOH"	84.968628
"1429545"	1176.446438	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+H+CF3COOH"	115.000138
"1161775"	593.270251	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+3ACN+2H"	125.094202
"1712665"	1193.472985	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+NH4+CF3COOH"	132.026685
"1645881"	1198.42838	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+Na+CF3COOH"	136.98208
"1577157"	1214.40232	"C20160"	"CTOP;Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide"	"C50H67N11O11S2"	"1061.4463"	"M+K+CF3COOH"	152.95602
"804241"	204.1878	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M"	0
"977774"	185.16941	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64190"	135.117924	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"511041"	203.180524	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"881188"	67.055324	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"1220"	203.180524	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"440414"	305.274424	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"817598"	101.086624	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"79053"	407.368324	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519091"	611.556124	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"895803"	203.180524	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"50685"	424.394871	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"490246"	628.582671	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873884"	220.207071	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37410"	429.350266	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"472957"	633.538066	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"849299"	225.162466	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619195"	225.162466	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96462"	221.168863	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"537115"	323.262763	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929535"	119.074963	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269908"	443.345002	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"663060"	647.532802	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1276201"	239.157202	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"22037"	445.324206	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"469254"	649.512006	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"846698"	241.136406	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1569824"	241.136406	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957955"	249.185994	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368993"	453.373801	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360413"	467.389451	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507668"	263.201651	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972167"	271.167951	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123623"	239.157202	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554434"	341.251102	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1034897"	137.063302	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1256543"	283.106685	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318761"	285.162672	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331513"	307.144629	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"914916"	317.173386	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1301108"	353.150064	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1381580"	169.175124	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394578"	187.1851	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"292441"	409.382876	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"683768"	613.570676	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1364135"	205.195076	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H"	1.007276
"141035"	205.195076	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"581085"	307.288976	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1050486"	103.101176	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"219117"	137.132476	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"658675"	205.195076	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1168055"	69.069876	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438263"	426.409423	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799256"	630.597223	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690845"	222.221623	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"339124"	213.7083495	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"733732"	315.8022495	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1484273"	111.6144495	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396390"	431.364818	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"762853"	635.552618	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604388"	227.177018	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"314383"	216.186047	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707937"	318.279947	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461459"	114.092147	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1052893"	76.39719	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257367"	237.221286	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377148"	447.338758	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"743910"	651.526558	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1543776"	243.150958	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+K"	38.963158
"303866"	224.173017	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"699944"	326.266917	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448295"	122.079117	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"250956"	450.409426	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222731"	246.221626	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1198958"	123.614451	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194016"	453.34676	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"632482"	657.53456	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1142551"	249.15896	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182560"	227.177018	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"621025"	329.270918	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121252"	125.083118	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1401495"	83.724504	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1433610"	251.200546	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"221846"	232.21004	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1515744"	265.25259	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"411055"	235.163988	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"772047"	337.257888	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669476"	133.070088	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"252718"	472.391368	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1233081"	268.203568	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1715407"	268.227093	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179662"	91.051818	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652841"	273.182488	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"162256"	485.29464	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609108"	689.48244	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1093620"	281.10684	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"148249"	243.150958	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"585621"	345.244858	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1084047"	141.057058	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1115389"	283.121392	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1351044"	283.209007	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021271"	287.248176	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539682"	288.241808	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004868"	144.127726	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1597181"	289.156428	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425037"	319.187938	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1159699"	164.641001	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711437"	336.214485	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1645991"	341.16988	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573987"	357.14382	"C20161"	"alpha-Guaiene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804351"	204.1878	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M"	0
"977884"	185.16941	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64180"	135.117924	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"511151"	203.180524	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"881297"	67.055324	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"1330"	203.180524	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"441617"	305.274424	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"817835"	101.086624	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"78881"	407.368324	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519821"	611.556124	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"897140"	203.180524	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"50066"	424.394871	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"489627"	628.582671	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873994"	220.207071	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37519"	429.350266	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"472702"	633.538066	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"849244"	225.162466	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619788"	225.162466	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96571"	221.168863	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"537225"	323.262763	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929645"	119.074963	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268925"	443.345002	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"662077"	647.532802	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1276311"	239.157202	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"18867"	445.324206	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"468271"	649.512006	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"846444"	241.136406	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570547"	241.136406	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"958184"	249.185994	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372020"	453.373801	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"361227"	467.389451	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506925"	263.201651	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"973372"	271.167951	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123005"	239.157202	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"556731"	341.251102	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1033184"	137.063302	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1256410"	283.106685	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1307558"	285.162672	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1329426"	307.144629	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"915026"	317.173386	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1295749"	353.150064	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376461"	169.175124	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394324"	187.1851	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"292187"	409.382876	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"683514"	613.570676	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1362786"	205.195076	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H"	1.007276
"138594"	205.195076	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"579613"	307.288976	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1050596"	103.101176	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218983"	137.132476	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659151"	205.195076	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1177271"	69.069876	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438006"	426.409423	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"797542"	630.597223	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1690955"	222.221623	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340327"	213.7083495	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"730562"	315.8022495	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480373"	111.6144495	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"393705"	431.364818	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"757859"	635.552618	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603527"	227.177018	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"314435"	216.186047	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707187"	318.279947	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461454"	114.092147	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053404"	76.39719	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257185"	237.221286	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377789"	447.338758	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"744020"	651.526558	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1544978"	243.150958	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+K"	38.963158
"301424"	224.173017	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700054"	326.266917	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1449499"	122.079117	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"250986"	450.409426	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222841"	246.221626	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1199068"	123.614451	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194126"	453.34676	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"632227"	657.53456	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1138286"	249.15896	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"180483"	227.177018	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617855"	329.270918	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1123549"	125.083118	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1400509"	83.724504	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1431532"	251.200546	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"221949"	232.21004	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510012"	265.25259	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"408806"	235.163988	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"772521"	337.257888	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1665728"	133.070088	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"251642"	472.391368	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226989"	268.203568	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714781"	268.227093	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179160"	91.051818	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652952"	273.182488	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"157176"	485.29464	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609218"	689.48244	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095917"	281.10684	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"143983"	243.150958	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"584638"	345.244858	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1083582"	141.057058	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1115294"	283.121392	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1350949"	283.209007	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021308"	287.248176	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539823"	288.241808	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1005621"	144.127726	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1597291"	289.156428	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425145"	319.187938	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1161995"	164.641001	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1709360"	336.214485	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1646101"	341.16988	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1577377"	357.14382	"C20162"	"Viridiflorene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804460"	204.1878	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M"	0
"980180"	185.16941	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66233"	135.117924	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"510167"	203.180524	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"881771"	67.055324	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"465"	203.180524	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"441361"	305.274424	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"817500"	101.086624	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"79195"	407.368324	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519688"	611.556124	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"897126"	203.180524	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"51998"	424.394871	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"490830"	628.582671	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874104"	220.207071	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37994"	429.350266	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"474635"	633.538066	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"850246"	225.162466	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619897"	225.162466	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97409"	221.168863	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538792"	323.262763	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930119"	119.074963	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"270125"	443.345002	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"662188"	647.532802	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1273867"	239.157202	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"17154"	445.324206	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"468381"	649.512006	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838528"	241.136406	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1569928"	241.136406	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957363"	249.185994	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"376586"	453.373801	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360755"	467.389451	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1507643"	263.201651	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"973607"	271.167951	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120561"	239.157202	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554653"	341.251102	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1027827"	137.063302	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1250685"	283.106685	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1307667"	285.162672	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1326255"	307.144629	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"913666"	317.173386	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1298409"	353.150064	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376571"	169.175124	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1395162"	187.1851	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"288287"	409.382876	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"681801"	613.570676	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1362532"	205.195076	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H"	1.007276
"138338"	205.195076	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"578627"	307.288976	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1049247"	103.101176	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"219335"	137.132476	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659750"	205.195076	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1175922"	69.069876	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438483"	426.409423	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798381"	630.597223	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692158"	222.221623	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340437"	213.7083495	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"731765"	315.8022495	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480119"	111.6144495	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"399890"	431.364818	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758698"	635.552618	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604122"	227.177018	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"314882"	216.186047	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709125"	318.279947	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461525"	114.092147	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053883"	76.39719	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258356"	237.221286	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"378756"	447.338758	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"743037"	651.526558	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1542900"	243.150958	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+K"	38.963158
"301898"	224.173017	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700164"	326.266917	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1450702"	122.079117	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"240761"	450.409426	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222587"	246.221626	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1199178"	123.614451	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194600"	453.34676	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"633429"	657.53456	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1138396"	249.15896	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"180593"	227.177018	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617965"	329.270918	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121472"	125.083118	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1400984"	83.724504	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1433099"	251.200546	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"222789"	232.21004	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1510852"	265.25259	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"410536"	235.163988	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"771539"	337.257888	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1667133"	133.070088	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"252683"	472.391368	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226119"	268.203568	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1713063"	268.227093	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179186"	91.051818	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1653061"	273.182488	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"157967"	485.29464	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609328"	689.48244	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1096027"	281.10684	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"145186"	243.150958	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"586934"	345.244858	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1083979"	141.057058	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1115123"	283.121392	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1350410"	283.209007	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1020527"	287.248176	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539498"	288.241808	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1005542"	144.127726	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1596308"	289.156428	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427442"	319.187938	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1159918"	164.641001	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1710563"	336.214485	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1646211"	341.16988	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1577487"	357.14382	"C20163"	"5-epi-alpha-Selinene;5beta-Eudesma-311-diene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(prop-1-en-2-yl)naphthalene;8a-epi-alpha-Selinene;(2R4aR8aS)-12344a568a-Octahydro-4a8-dimethyl-2-(1-methylethenyl)naphthalene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804571"	645.2291	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M"	0
"978104"	626.21071	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-H2O-H"	-19.01839
"65250"	429.145457333333	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M-3H"	-3.021828
"509185"	644.221824	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M-3H"	-3.021828
"882612"	214.069090666667	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-3H"	-3.021828
"334"	644.221824	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M-2H"	-2.014552
"442933"	966.836374	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M-2H"	-2.014552
"817407"	321.607274	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-2H"	-2.014552
"79388"	1289.450924	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M-H"	-1.007276
"520285"	1934.680024	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M-H"	-1.007276
"896629"	644.221824	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-H"	-1.007276
"50286"	1306.477471	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M-2H+NH4"	16.019271
"491305"	1951.706571	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M-2H+NH4"	16.019271
"876400"	661.248371	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-2H+NH4"	16.019271
"41020"	1311.432866	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M-2H+Na"	20.974666
"474017"	1956.661966	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M-2H+Na"	20.974666
"850720"	666.203766	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-2H+Na"	20.974666
"1620251"	666.203766	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Na-2H"	20.974666
"98977"	662.210163	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M-H+Cl"	33.962126
"539631"	984.824713	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M-H+Cl"	33.962126
"930958"	339.595613	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-H+Cl"	33.962126
"269144"	1325.427602	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+Cl"	34.969402
"661570"	1970.656702	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+Cl"	34.969402
"1275435"	680.198502	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Cl"	34.969402
"16900"	1327.406806	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M-2H+K"	36.948606
"468491"	1972.635906	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M-2H+K"	36.948606
"837545"	682.177706	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-2H+K"	36.948606
"1570882"	682.177706	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+K-2H"	36.948606
"957917"	690.227294	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-H+HCOOH"	44.998194
"374790"	1335.456401	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+HCOOH-H"	44.998201
"361212"	1349.472051	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+Hac-H"	59.013851
"1508118"	704.242951	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Hac-H"	59.013851
"973224"	712.209251	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-H+NaCOOH"	66.980151
"119577"	680.198502	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+2Cl"	69.938804
"554763"	1002.813052	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+2Cl"	69.938804
"1027936"	357.583952	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2Cl"	69.938804
"1248608"	724.147985	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Br"	78.918885
"1305954"	726.203972	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Cl+HCOOH"	80.974872
"1324178"	748.185929	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Cl+NaCOOH"	102.956829
"914142"	758.214686	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M-H+CF3COOH"	112.985586
"1292322"	794.191364	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Cl+CF3COOH"	148.962264
"1371214"	610.216424	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H-2H2O"	-35.012676
"1391992"	628.2264	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H-H2O"	-17.0027
"288397"	1291.465476	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+H"	1.007276
"680817"	1936.694576	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+H"	1.007276
"1358262"	646.236376	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H"	1.007276
"130057"	646.236376	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+2H"	2.014552
"571803"	968.850926	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+2H"	2.014552
"1044979"	323.621826	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2H"	2.014552
"218352"	431.160009333333	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+3H"	3.021828
"657909"	646.236376	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+3H"	3.021828
"1175303"	216.083642666667	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+3H"	3.021828
"436400"	1308.492023	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+NH4"	18.033823
"796667"	1953.721123	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+NH4"	18.033823
"1692998"	663.262923	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+NH4"	18.033823
"340547"	654.7496495	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+H+NH4"	19.041099
"731875"	977.3641995	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+H+NH4"	19.041099
"1480229"	332.1350995	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H+NH4"	19.041099
"400000"	1313.447418	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+Na"	22.989218
"758808"	1958.676518	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+Na"	22.989218
"1603989"	668.218318	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Na"	22.989218
"315844"	657.227347	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+H+Na"	23.996494
"707775"	979.841897	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+H+Na"	23.996494
"1463908"	334.612797	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H+Na"	23.996494
"1055696"	223.410956666667	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2H+Na"	25.00377
"1259926"	678.262586	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+CH3OH+H"	33.033486
"378136"	1329.421358	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+K"	38.963158
"742414"	1974.650458	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+K"	38.963158
"1544468"	684.192258	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+K"	38.963158
"303102"	665.214317	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+H+K"	39.970434
"700274"	987.828867	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+H+K"	39.970434
"1450812"	342.599767	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H+K"	39.970434
"240507"	1332.492026	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+ACN+H"	42.033826
"1224154"	687.262926	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+ACN+H"	42.033826
"1199288"	344.135101	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+ACN+2H"	43.041102
"194346"	1335.42936	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+2Na-H"	44.97116
"633175"	1980.65846	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+2Na-H"	44.97116
"1137413"	690.20026	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2Na-H"	44.97116
"177786"	668.218318	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+2Na"	45.978436
"615887"	990.832868	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+2Na"	45.978436
"1121582"	345.603768	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2Na"	45.978436
"1400730"	230.738270666667	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H+2Na"	46.985712
"1431751"	692.241846	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H+HCOOH"	47.012746
"220712"	673.25134	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+3H2O+2H"	56.04448
"1510234"	706.29389	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+IsoProp+H"	61.06479
"411012"	676.205288	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+Na+K"	61.952376
"771649"	998.819838	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+Na+K"	61.952376
"1667246"	353.590738	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Na+K"	61.952376
"254130"	1354.473968	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+ACN+Na"	64.015768
"1228297"	709.244868	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+ACN+Na"	64.015768
"1713660"	709.268393	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+NH4+HCOOH"	64.039293
"1178770"	238.065584666667	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+3Na"	68.967654
"1651710"	714.223788	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Na+HCOOH"	68.994688
"158692"	1367.37724	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+2K-H"	76.91904
"608345"	2012.60634	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+2K-H"	76.91904
"1093950"	722.14814	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2K-H"	76.91904
"145296"	684.192258	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"2M+2K"	77.926316
"585951"	1006.806808	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"3M+2K"	77.926316
"1083606"	361.577708	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2K"	77.926316
"1115115"	724.162692	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2K+H"	78.933592
"1350645"	724.250307	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+DMSO+H"	79.021207
"1020756"	728.289476	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2ACN+H"	83.060376
"1539247"	729.283108	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+IsoProp+Na+H"	84.054008
"1005324"	364.648376	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+2ACN+2H"	84.067652
"1598606"	730.197728	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+K+HCOOH"	84.968628
"1428281"	760.229238	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+H+CF3COOH"	115.000138
"1160027"	385.161651	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+3ACN+2H"	125.094202
"1711646"	777.255785	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+NH4+CF3COOH"	132.026685
"1643041"	782.21118	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+Na+CF3COOH"	136.98208
"1577597"	798.18512	"C20164"	"DPDPE;25-Pen-enkephalin;Enkephalin penicillamine(25)-"	"C30H39N5O7S2"	"645.2291"	"M+K+CF3COOH"	152.95602
"802129"	686.3275	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M"	0
"977121"	667.30911	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-H2O-H"	-19.01839
"64267"	456.544390666667	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M-3H"	-3.021828
"509294"	685.320224	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M-3H"	-3.021828
"880112"	227.768557333333	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-3H"	-3.021828
"2388"	685.320224	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M-2H"	-2.014552
"440856"	1028.483974	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M-2H"	-2.014552
"818045"	342.156474	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-2H"	-2.014552
"79378"	1371.647724	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M-H"	-1.007276
"518608"	2057.975224	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M-H"	-1.007276
"896007"	685.320224	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-H"	-1.007276
"51125"	1388.674271	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M-2H+NH4"	16.019271
"490321"	2075.001771	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M-2H+NH4"	16.019271
"875053"	702.346771	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-2H+NH4"	16.019271
"40766"	1393.629666	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M-2H+Na"	20.974666
"473032"	2079.957166	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M-2H+Na"	20.974666
"849737"	707.302166	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-2H+Na"	20.974666
"1619147"	707.302166	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Na-2H"	20.974666
"101274"	703.308563	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M-H+Cl"	33.962126
"537555"	1046.472313	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M-H+Cl"	33.962126
"928152"	360.144813	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-H+Cl"	33.962126
"268529"	1407.624402	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+Cl"	34.969402
"663139"	2093.951902	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+Cl"	34.969402
"1275547"	721.296902	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Cl"	34.969402
"17010"	1409.603606	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M-2H+K"	36.948606
"468601"	2095.931106	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M-2H+K"	36.948606
"837655"	723.276106	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-2H+K"	36.948606
"1570263"	723.276106	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+K-2H"	36.948606
"958273"	731.325694	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-H+HCOOH"	44.998194
"375993"	1417.653201	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+HCOOH-H"	44.998201
"360242"	1431.668851	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+Hac-H"	59.013851
"1507861"	745.341351	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Hac-H"	59.013851
"973457"	753.307651	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-H+NaCOOH"	66.980151
"122604"	721.296902	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+2Cl"	69.938804
"554873"	1064.460652	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+2Cl"	69.938804
"1026953"	378.133152	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2Cl"	69.938804
"1249811"	765.246385	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Br"	78.918885
"1306793"	767.302372	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Cl+HCOOH"	80.974872
"1323195"	789.284329	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Cl+NaCOOH"	102.956829
"912430"	799.313086	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M-H+CF3COOH"	112.985586
"1292433"	835.289764	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Cl+CF3COOH"	148.962264
"1373510"	651.314824	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H-2H2O"	-35.012676
"1392099"	669.3248	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H-H2O"	-17.0027
"286320"	1373.662276	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+H"	1.007276
"679833"	2059.989776	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+H"	1.007276
"1357276"	687.334776	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H"	1.007276
"130167"	687.334776	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+2H"	2.014552
"571913"	1030.498526	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+2H"	2.014552
"1047274"	344.171026	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2H"	2.014552
"214449"	458.558942666667	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+3H"	3.021828
"657290"	687.334776	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+3H"	3.021828
"1172497"	229.783109333333	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+3H"	3.021828
"436145"	1390.688823	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+NH4"	18.033823
"797141"	2077.016323	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+NH4"	18.033823
"1690191"	704.361323	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+NH4"	18.033823
"338470"	695.8480495	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+H+NH4"	19.041099
"731985"	1039.0117995	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+H+NH4"	19.041099
"1480339"	352.6842995	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H+NH4"	19.041099
"400110"	1395.644218	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+Na"	22.989218
"758918"	2081.971718	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+Na"	22.989218
"1603367"	709.316718	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Na"	22.989218
"317412"	698.325747	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+H+Na"	23.996494
"707087"	1041.489497	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+H+Na"	23.996494
"1462438"	355.161997	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H+Na"	23.996494
"1055076"	237.110423333333	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2H+Na"	25.00377
"1258213"	719.360986	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+CH3OH+H"	33.033486
"377113"	1411.618158	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+K"	38.963158
"742160"	2097.945658	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+K"	38.963158
"1544578"	725.290658	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+K"	38.963158
"302846"	706.312717	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+H+K"	39.970434
"699291"	1049.476467	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+H+K"	39.970434
"1450922"	363.148967	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H+K"	39.970434
"238063"	1414.688826	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+ACN+H"	42.033826
"1223171"	728.361326	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+ACN+H"	42.033826
"1196482"	364.684301	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+ACN+2H"	43.041102
"189836"	1417.62616	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+2Na-H"	44.97116
"632193"	2103.95366	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+2Na-H"	44.97116
"1132779"	731.29866	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2Na-H"	44.97116
"174002"	709.316718	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+2Na"	45.978436
"614905"	1052.480468	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+2Na"	45.978436
"1117319"	366.152968	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2Na"	45.978436
"1399136"	244.437737333333	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H+2Na"	46.985712
"1432956"	733.340246	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H+HCOOH"	47.012746
"221673"	714.34974	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+3H2O+2H"	56.04448
"1509736"	747.39229	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+IsoProp+H"	61.06479
"408770"	717.303688	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+Na+K"	61.952376
"771755"	1060.467438	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+Na+K"	61.952376
"1666989"	374.139938	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Na+K"	61.952376
"252173"	1436.670768	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+ACN+Na"	64.015768
"1226948"	750.343268	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+ACN+Na"	64.015768
"1712988"	750.366793	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+NH4+HCOOH"	64.039293
"1178514"	251.765051333333	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+3Na"	68.967654
"1650361"	755.322188	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Na+HCOOH"	68.994688
"157709"	1449.57404	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+2K-H"	76.91904
"609548"	2135.90154	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+2K-H"	76.91904
"1094060"	763.24654	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2K-H"	76.91904
"146500"	725.290658	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"2M+2K"	77.926316
"588247"	1068.454408	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"3M+2K"	77.926316
"1083836"	382.126908	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2K"	77.926316
"1115182"	765.261092	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2K+H"	78.933592
"1351227"	765.348707	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+DMSO+H"	79.021207
"1021228"	769.387876	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2ACN+H"	83.060376
"1539799"	770.381508	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+IsoProp+Na+H"	84.054008
"1005434"	385.197576	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+2ACN+2H"	84.067652
"1600904"	771.296128	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+K+HCOOH"	84.968628
"1426562"	801.327638	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+H+CF3COOH"	115.000138
"1156850"	405.710851	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+3ACN+2H"	125.094202
"1711999"	818.354185	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+NH4+CF3COOH"	132.026685
"1643151"	823.30958	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+Na+CF3COOH"	136.98208
"1577707"	839.28352	"C20165"	"DSLET;2-Ser-thr-leu-enkephalin;Enkephalin Ser(2) Leu(5) Thr(6)-;D-Ser2Leu5Enkephalin-Thr6"	"C33H46N6O10"	"686.3275"	"M+K+CF3COOH"	152.95602
"803697"	415.1784	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M"	0
"978324"	396.16001	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-H2O-H"	-19.01839
"66565"	275.778324	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M-3H"	-3.021828
"511590"	414.171124	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M-3H"	-3.021828
"881739"	137.385524	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-3H"	-3.021828
"1407"	414.171124	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M-2H"	-2.014552
"444247"	621.760324	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M-2H"	-2.014552
"819132"	206.581924	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-2H"	-2.014552
"79489"	829.349524	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M-H"	-1.007276
"519765"	1244.527924	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M-H"	-1.007276
"896849"	414.171124	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-H"	-1.007276
"51235"	846.376071	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M-2H+NH4"	16.019271
"492255"	1261.554471	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M-2H+NH4"	16.019271
"874070"	431.197671	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-2H+NH4"	16.019271
"40512"	851.331466	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M-2H+Na"	20.974666
"474599"	1266.509866	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M-2H+Na"	20.974666
"851307"	436.153066	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-2H+Na"	20.974666
"1619381"	436.153066	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Na-2H"	20.974666
"100291"	432.159463	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M-H+Cl"	33.962126
"536571"	639.748663	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M-H+Cl"	33.962126
"929353"	224.570263	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-H+Cl"	33.962126
"269368"	865.326202	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+Cl"	34.969402
"661059"	1280.504602	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+Cl"	34.969402
"1276748"	450.147802	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Cl"	34.969402
"17120"	867.305406	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M-2H+K"	36.948606
"468711"	1282.483806	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M-2H+K"	36.948606
"839951"	452.127006	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-2H+K"	36.948606
"1570657"	452.127006	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+K-2H"	36.948606
"958451"	460.176594	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-H+HCOOH"	44.998194
"376595"	875.355001	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+HCOOH-H"	44.998201
"360352"	889.370651	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+Hac-H"	59.013851
"1508053"	474.192251	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Hac-H"	59.013851
"974170"	482.158551	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-H+NaCOOH"	66.980151
"125311"	450.147802	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+2Cl"	69.938804
"553161"	657.737002	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+2Cl"	69.938804
"1025970"	242.558602	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2Cl"	69.938804
"1246642"	494.097285	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Br"	78.918885
"1305081"	496.153272	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Cl+HCOOH"	80.974872
"1321117"	518.135229	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Cl+NaCOOH"	102.956829
"911488"	528.163986	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M-H+CF3COOH"	112.985586
"1295459"	564.140664	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Cl+CF3COOH"	148.962264
"1372526"	380.165724	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H-2H2O"	-35.012676
"1390022"	398.1757	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H-H2O"	-17.0027
"285699"	831.364076	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+H"	1.007276
"678485"	1246.542476	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+H"	1.007276
"1358480"	416.185676	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H"	1.007276
"133557"	416.185676	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+2H"	2.014552
"568743"	623.774876	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+2H"	2.014552
"1043011"	208.596476	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2H"	2.014552
"214559"	277.792876	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+3H"	3.021828
"657400"	416.185676	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+3H"	3.021828
"1167505"	139.400076	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+3H"	3.021828
"434067"	848.390623	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+NH4"	18.033823
"789596"	1263.569023	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+NH4"	18.033823
"1688114"	433.212223	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+NH4"	18.033823
"337487"	424.6989495	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+H+NH4"	19.041099
"732095"	632.2881495	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+H+NH4"	19.041099
"1480448"	217.1097495	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H+NH4"	19.041099
"393781"	853.346018	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+Na"	22.989218
"755747"	1268.524418	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+Na"	22.989218
"1604935"	438.167618	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Na"	22.989218
"317522"	427.176647	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+H+Na"	23.996494
"709578"	634.765847	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+H+Na"	23.996494
"1463401"	219.587447	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H+Na"	23.996494
"1056645"	146.72739	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2H+Na"	25.00377
"1259782"	448.211886	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+CH3OH+H"	33.033486
"377748"	869.319958	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+K"	38.963158
"740081"	1284.498358	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+K"	38.963158
"1542135"	454.141558	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+K"	38.963158
"301863"	435.163617	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+H+K"	39.970434
"700495"	642.752817	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+H+K"	39.970434
"1449939"	227.574417	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H+K"	39.970434
"239996"	872.390626	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+ACN+H"	42.033826
"1222188"	457.212226	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+ACN+H"	42.033826
"1199508"	229.109751	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+ACN+2H"	43.041102
"191650"	875.32796	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+2Na-H"	44.97116
"633396"	1290.50636	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+2Na-H"	44.97116
"1132282"	460.14956	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2Na-H"	44.97116
"174357"	438.167618	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+2Na"	45.978436
"615379"	645.756818	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+2Na"	45.978436
"1117429"	230.578418	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2Na"	45.978436
"1399244"	154.054704	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H+2Na"	46.985712
"1431121"	462.191146	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H+HCOOH"	47.012746
"221542"	443.20064	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+3H2O+2H"	56.04448
"1510817"	476.24319	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+IsoProp+H"	61.06479
"410138"	446.154588	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+Na+K"	61.952376
"772230"	653.743788	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+Na+K"	61.952376
"1667828"	238.565388	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Na+K"	61.952376
"254715"	894.372568	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+ACN+Na"	64.015768
"1227422"	479.194168	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+ACN+Na"	64.015768
"1713759"	479.217693	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+NH4+HCOOH"	64.039293
"1178581"	161.382018	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+3Na"	68.967654
"1650186"	484.173088	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Na+HCOOH"	68.994688
"158791"	907.27584	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+2K-H"	76.91904
"609658"	1322.45424	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+2K-H"	76.91904
"1093077"	492.09744	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2K-H"	76.91904
"144788"	454.141558	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"2M+2K"	77.926316
"587264"	661.730758	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"3M+2K"	77.926316
"1084025"	246.552358	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2K"	77.926316
"1115245"	494.111992	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2K+H"	78.933592
"1351023"	494.199607	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+DMSO+H"	79.021207
"1020725"	498.238776	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2ACN+H"	83.060376
"1539624"	499.232408	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+IsoProp+Na+H"	84.054008
"1005465"	249.623026	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+2ACN+2H"	84.067652
"1598828"	500.147028	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+K+HCOOH"	84.968628
"1423393"	530.178538	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+H+CF3COOH"	115.000138
"1156960"	270.136301	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+3ACN+2H"	125.094202
"1711864"	547.205085	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+NH4+CF3COOH"	132.026685
"1642168"	552.16048	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+Na+CF3COOH"	136.98208
"1577817"	568.13442	"C20166"	"Naltriben;NTB"	"C26H25NO4"	"415.1784"	"M+K+CF3COOH"	152.95602
"802147"	429.194	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M"	0
"974584"	410.17561	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-H2O-H"	-19.01839
"63394"	285.122057333333	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M-3H"	-3.021828
"503438"	428.186724	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M-3H"	-3.021828
"880995"	142.057390666667	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-3H"	-3.021828
"108"	428.186724	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M-2H"	-2.014552
"442902"	642.783724	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M-2H"	-2.014552
"818753"	213.589724	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-2H"	-2.014552
"80695"	857.380724	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M-H"	-1.007276
"520622"	1286.574724	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M-H"	-1.007276
"908283"	428.186724	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-H"	-1.007276
"57919"	874.407271	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M-2H+NH4"	16.019271
"499302"	1303.601271	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M-2H+NH4"	16.019271
"878072"	445.213271	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-2H+NH4"	16.019271
"40259"	879.362666	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M-2H+Na"	20.974666
"479819"	1308.556666	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M-2H+Na"	20.974666
"858716"	450.168666	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-2H+Na"	20.974666
"1623873"	450.168666	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Na-2H"	20.974666
"96027"	446.175063	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M-H+Cl"	33.962126
"535950"	660.772063	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M-H+Cl"	33.962126
"929103"	231.578063	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-H+Cl"	33.962126
"273130"	893.357402	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+Cl"	34.969402
"661539"	1322.551402	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+Cl"	34.969402
"1275769"	464.163402	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Cl"	34.969402
"27078"	895.336606	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M-2H+K"	36.948606
"469195"	1324.530606	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M-2H+K"	36.948606
"846262"	466.142606	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-2H+K"	36.948606
"1569753"	466.142606	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+K-2H"	36.948606
"957684"	474.192194	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-H+HCOOH"	44.998194
"376895"	903.386201	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+HCOOH-H"	44.998201
"357906"	917.401851	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+Hac-H"	59.013851
"1505648"	488.207851	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Hac-H"	59.013851
"971731"	496.174151	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-H+NaCOOH"	66.980151
"113348"	464.163402	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+2Cl"	69.938804
"554001"	678.760402	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+2Cl"	69.938804
"1023163"	249.566402	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2Cl"	69.938804
"1243473"	508.112885	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Br"	78.918885
"1305319"	510.168872	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Cl+HCOOH"	80.974872
"1322327"	532.150829	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Cl+NaCOOH"	102.956829
"913389"	542.179586	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M-H+CF3COOH"	112.985586
"1299940"	578.156264	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Cl+CF3COOH"	148.962264
"1369355"	394.181324	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H-2H2O"	-35.012676
"1390132"	412.1913	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H-H2O"	-17.0027
"287632"	859.395276	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+H"	1.007276
"685528"	1288.589276	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+H"	1.007276
"1360781"	430.201276	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H"	1.007276
"137320"	430.201276	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+2H"	2.014552
"577241"	644.798276	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+2H"	2.014552
"1044220"	215.604276	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2H"	2.014552
"208840"	287.136609333333	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+3H"	3.021828
"653868"	430.201276	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+3H"	3.021828
"1171996"	144.071942666667	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+3H"	3.021828
"424942"	876.421823	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+NH4"	18.033823
"797364"	1305.615823	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+NH4"	18.033823
"1692600"	447.227823	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+NH4"	18.033823
"338690"	438.7145495	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+H+NH4"	19.041099
"725644"	653.3115495	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+H+NH4"	19.041099
"1483837"	224.1175495	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H+NH4"	19.041099
"397049"	881.377218	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+Na"	22.989218
"755858"	1310.571218	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+Na"	22.989218
"1607233"	452.183218	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Na"	22.989218
"314845"	441.192247	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+H+Na"	23.996494
"708236"	655.789247	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+H+Na"	23.996494
"1462419"	226.595247	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H+Na"	23.996494
"1053480"	151.399256666667	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2H+Na"	25.00377
"1260625"	462.227486	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+CH3OH+H"	33.033486
"381390"	897.351158	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+K"	38.963158
"740197"	1326.545158	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+K"	38.963158
"1541521"	468.157158	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+K"	38.963158
"301980"	449.179217	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+H+K"	39.970434
"703525"	663.776217	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+H+K"	39.970434
"1459902"	234.582217	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H+K"	39.970434
"249474"	900.421826	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+ACN+H"	42.033826
"1222305"	471.227826	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+ACN+H"	42.033826
"1204728"	236.117551	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+ACN+2H"	43.041102
"197963"	903.35916	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+2Na-H"	44.97116
"639708"	1332.55316	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+2Na-H"	44.97116
"1138839"	474.16516	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2Na-H"	44.97116
"181038"	452.183218	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+2Na"	45.978436
"618410"	666.780218	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+2Na"	45.978436
"1120823"	237.586218	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2Na"	45.978436
"1398918"	158.726570666667	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H+2Na"	46.985712
"1431115"	476.206746	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H+HCOOH"	47.012746
"221781"	457.21624	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+3H2O+2H"	56.04448
"1509834"	490.25879	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+IsoProp+H"	61.06479
"410616"	460.170188	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+Na+K"	61.952376
"771249"	674.767188	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+Na+K"	61.952376
"1666483"	245.573188	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Na+K"	61.952376
"251546"	922.403768	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+ACN+Na"	64.015768
"1225832"	493.209768	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+ACN+Na"	64.015768
"1724820"	493.233293	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+NH4+HCOOH"	64.039293
"1190174"	166.053884666667	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+3Na"	68.967654
"1663231"	498.188688	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Na+HCOOH"	68.994688
"170941"	935.30704	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+2K-H"	76.91904
"609406"	1364.50104	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+2K-H"	76.91904
"1099268"	506.11304	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2K-H"	76.91904
"156662"	468.157158	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"2M+2K"	77.926316
"596504"	682.754158	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"3M+2K"	77.926316
"1083202"	253.560158	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2K"	77.926316
"1112762"	508.127592	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2K+H"	78.933592
"1349756"	508.215207	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+DMSO+H"	79.021207
"1019867"	512.254376	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2ACN+H"	83.060376
"1538358"	513.248008	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+IsoProp+Na+H"	84.054008
"1004438"	256.630826	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+2ACN+2H"	84.067652
"1597845"	514.162628	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+K+HCOOH"	84.968628
"1428248"	544.194138	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+H+CF3COOH"	115.000138
"1159263"	277.144101	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+3ACN+2H"	125.094202
"1709906"	561.220685	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+NH4+CF3COOH"	132.026685
"1643371"	566.17608	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+Na+CF3COOH"	136.98208
"1577927"	582.15002	"C20167"	"7-Benzylidenenaltrexone;BNTX"	"C27H27NO4"	"429.194"	"M+K+CF3COOH"	152.95602
"808291"	344.1889	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M"	0
"977817"	325.17051	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-H2O-H"	-19.01839
"67881"	228.451990666667	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M-3H"	-3.021828
"503794"	343.181624	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M-3H"	-3.021828
"881960"	113.722357333333	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-3H"	-3.021828
"1628"	343.181624	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H"	-2.014552
"441918"	515.276074	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H"	-2.014552
"822272"	171.087174	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-2H"	-2.014552
"82266"	687.370524	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M-H"	-1.007276
"523283"	1031.559424	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M-H"	-1.007276
"906935"	343.181624	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-H"	-1.007276
"59488"	704.397071	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H+NH4"	16.019271
"497952"	1048.585971	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H+NH4"	16.019271
"878305"	360.208171	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-2H+NH4"	16.019271
"42558"	709.352466	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H+Na"	20.974666
"478836"	1053.541366	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H+Na"	20.974666
"858825"	365.163566	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-2H+Na"	20.974666
"1626172"	365.163566	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Na-2H"	20.974666
"98324"	361.169963	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M-H+Cl"	33.962126
"537886"	533.264413	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M-H+Cl"	33.962126
"929580"	189.075513	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-H+Cl"	33.962126
"268863"	723.347202	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+Cl"	34.969402
"671132"	1067.536102	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+Cl"	34.969402
"1285724"	379.158302	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl"	34.969402
"30598"	725.326406	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H+K"	36.948606
"470400"	1069.515306	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H+K"	36.948606
"848245"	381.137506	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-2H+K"	36.948606
"1570842"	381.137506	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+K-2H"	36.948606
"957996"	389.187094	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-H+HCOOH"	44.998194
"376853"	733.376001	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+HCOOH-H"	44.998201
"360451"	747.391651	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+Hac-H"	59.013851
"1503570"	403.202751	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Hac-H"	59.013851
"974154"	411.169051	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-H+NaCOOH"	66.980151
"120018"	379.158302	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+2Cl"	69.938804
"552654"	551.252752	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+2Cl"	69.938804
"1024367"	207.063852	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2Cl"	69.938804
"1250149"	423.107785	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Br"	78.918885
"1314785"	425.163772	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl+HCOOH"	80.974872
"1330095"	447.145729	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl+NaCOOH"	102.956829
"917871"	457.174486	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M-H+CF3COOH"	112.985586
"1297866"	493.151164	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl+CF3COOH"	148.962264
"1373839"	309.176224	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H-2H2O"	-35.012676
"1389148"	327.1862	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H-H2O"	-17.0027
"288103"	689.385076	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+H"	1.007276
"688191"	1033.573976	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+H"	1.007276
"1357613"	345.196176	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H"	1.007276
"136333"	345.196176	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+2H"	2.014552
"577717"	517.290626	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+2H"	2.014552
"1043965"	173.101726	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2H"	2.014552
"214781"	230.466542666667	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+3H"	3.021828
"648510"	345.196176	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+3H"	3.021828
"1172106"	115.736909333333	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+3H"	3.021828
"429915"	706.411623	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+NH4"	18.033823
"789816"	1050.600523	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+NH4"	18.033823
"1686148"	362.222723	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+NH4"	18.033823
"333333"	353.7094495	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+H+NH4"	19.041099
"726847"	525.8038995	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+H+NH4"	19.041099
"1483947"	181.6149995	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H+NH4"	19.041099
"396066"	711.367018	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+Na"	22.989218
"758155"	1055.555918	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+Na"	22.989218
"1608443"	367.178118	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Na"	22.989218
"315928"	356.187147	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+H+Na"	23.996494
"709806"	528.281597	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+H+Na"	23.996494
"1463990"	184.092697	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H+Na"	23.996494
"1055777"	123.064223333333	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2H+Na"	25.00377
"1260737"	377.222386	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+CH3OH+H"	33.033486
"379309"	727.340958	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+K"	38.963158
"740670"	1071.529858	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+K"	38.963158
"1542361"	383.152058	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+K"	38.963158
"299535"	364.174117	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+H+K"	39.970434
"705831"	536.268567	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+H+K"	39.970434
"1457825"	192.079667	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H+K"	39.970434
"248247"	730.411626	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+ACN+H"	42.033826
"1219135"	386.222726	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+ACN+H"	42.033826
"1205201"	193.615001	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+ACN+2H"	43.041102
"198072"	733.34896	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+2Na-H"	44.97116
"639455"	1077.53786	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+2Na-H"	44.97116
"1140047"	389.16006	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2Na-H"	44.97116
"181148"	367.178118	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+2Na"	45.978436
"621802"	539.272568	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+2Na"	45.978436
"1122027"	195.083668	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2Na"	45.978436
"1405551"	130.391537333333	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H+2Na"	46.985712
"1434385"	391.201646	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H+HCOOH"	47.012746
"220188"	372.21114	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+3H2O+2H"	56.04448
"1511049"	405.25369	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+IsoProp+H"	61.06479
"408911"	375.165088	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+Na+K"	61.952376
"771363"	547.259538	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+Na+K"	61.952376
"1666233"	203.070638	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Na+K"	61.952376
"253113"	752.393568	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+ACN+Na"	64.015768
"1227292"	408.204668	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+ACN+Na"	64.015768
"1724934"	408.228193	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+NH4+HCOOH"	64.039293
"1190289"	137.718851333333	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+3Na"	68.967654
"1665167"	413.183588	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Na+HCOOH"	68.994688
"171418"	765.29684	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+2K-H"	76.91904
"611951"	1109.48574	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+2K-H"	76.91904
"1099020"	421.10794	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2K-H"	76.91904
"155232"	383.152058	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"2M+2K"	77.926316
"595881"	555.246508	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"3M+2K"	77.926316
"1081853"	211.057608	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2K"	77.926316
"1113968"	423.122492	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2K+H"	78.933592
"1349505"	423.210107	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+DMSO+H"	79.021207
"1018881"	427.249276	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2ACN+H"	83.060376
"1538100"	428.242908	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+IsoProp+Na+H"	84.054008
"1003455"	214.128276	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+2ACN+2H"	84.067652
"1601973"	429.157528	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+K+HCOOH"	84.968628
"1427991"	459.189038	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+H+CF3COOH"	115.000138
"1157185"	234.641551	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+3ACN+2H"	125.094202
"1711476"	476.215585	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+NH4+CF3COOH"	132.026685
"1642388"	481.17098	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+Na+CF3COOH"	136.98208
"1578037"	497.14492	"C20168"	"(-)TAN-67"	"C23H24N2O"	"344.1889"	"M+K+CF3COOH"	152.95602
"802934"	344.1889	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M"	0
"979747"	325.17051	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-H2O-H"	-19.01839
"63735"	228.451990666667	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M-3H"	-3.021828
"503659"	343.181624	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M-3H"	-3.021828
"880973"	113.722357333333	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-3H"	-3.021828
"1852"	343.181624	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H"	-2.014552
"441300"	515.276074	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H"	-2.014552
"819466"	171.087174	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-2H"	-2.014552
"82377"	687.370524	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M-H"	-1.007276
"520109"	1031.559424	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M-H"	-1.007276
"908138"	343.181624	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-H"	-1.007276
"59598"	704.397071	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H+NH4"	16.019271
"500978"	1048.585971	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H+NH4"	16.019271
"879021"	360.208171	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-2H+NH4"	16.019271
"42668"	709.352466	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H+Na"	20.974666
"478946"	1053.541366	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H+Na"	20.974666
"860028"	365.163566	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-2H+Na"	20.974666
"1627375"	365.163566	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Na-2H"	20.974666
"100620"	361.169963	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M-H+Cl"	33.962126
"541275"	533.264413	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M-H+Cl"	33.962126
"931513"	189.075513	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-H+Cl"	33.962126
"274803"	723.347202	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+Cl"	34.969402
"670149"	1067.536102	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+Cl"	34.969402
"1284741"	379.158302	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl"	34.969402
"28762"	725.326406	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M-2H+K"	36.948606
"470146"	1069.515306	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M-2H+K"	36.948606
"848272"	381.137506	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-2H+K"	36.948606
"1570464"	381.137506	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+K-2H"	36.948606
"957861"	389.187094	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-H+HCOOH"	44.998194
"376313"	733.376001	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+HCOOH-H"	44.998201
"358980"	747.391651	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+Hac-H"	59.013851
"1503680"	403.202751	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Hac-H"	59.013851
"973167"	411.169051	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-H+NaCOOH"	66.980151
"119034"	379.158302	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+2Cl"	69.938804
"553128"	551.252752	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+2Cl"	69.938804
"1023748"	207.063852	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2Cl"	69.938804
"1250258"	423.107785	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Br"	78.918885
"1315988"	425.163772	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl+HCOOH"	80.974872
"1329111"	447.145729	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl+NaCOOH"	102.956829
"918345"	457.174486	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M-H+CF3COOH"	112.985586
"1297976"	493.151164	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Cl+CF3COOH"	148.962264
"1372856"	309.176224	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H-2H2O"	-35.012676
"1389258"	327.1862	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H-H2O"	-17.0027
"287850"	689.385076	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+H"	1.007276
"689029"	1033.573976	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+H"	1.007276
"1360638"	345.196176	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H"	1.007276
"137900"	345.196176	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+2H"	2.014552
"578920"	517.290626	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+2H"	2.014552
"1046990"	173.101726	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2H"	2.014552
"213431"	230.466542666667	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+3H"	3.021828
"648620"	345.196176	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+3H"	3.021828
"1175496"	115.736909333333	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+3H"	3.021828
"427837"	706.411623	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+NH4"	18.033823
"793206"	1050.600523	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+NH4"	18.033823
"1682975"	362.222723	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+NH4"	18.033823
"333443"	353.7094495	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+H+NH4"	19.041099
"729145"	525.8038995	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+H+NH4"	19.041099
"1477495"	181.6149995	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H+NH4"	19.041099
"395082"	711.367018	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+Na"	22.989218
"757171"	1055.555918	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+Na"	22.989218
"1609646"	367.178118	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Na"	22.989218
"317495"	356.187147	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+H+Na"	23.996494
"711010"	528.281597	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+H+Na"	23.996494
"1464829"	184.092697	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H+Na"	23.996494
"1055887"	123.064223333333	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2H+Na"	25.00377
"1261940"	377.222386	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+CH3OH+H"	33.033486
"379782"	727.340958	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+K"	38.963158
"741874"	1071.529858	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+K"	38.963158
"1542469"	383.152058	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+K"	38.963158
"301468"	364.174117	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+H+K"	39.970434
"705820"	536.268567	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+H+K"	39.970434
"1456843"	192.079667	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H+K"	39.970434
"246172"	730.411626	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+ACN+H"	42.033826
"1220337"	386.222726	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+ACN+H"	42.033826
"1205314"	193.615001	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+ACN+2H"	43.041102
"199278"	733.34896	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+2Na-H"	44.97116
"640660"	1077.53786	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+2Na-H"	44.97116
"1143801"	389.16006	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2Na-H"	44.97116
"177978"	367.178118	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+2Na"	45.978436
"620819"	539.272568	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+2Na"	45.978436
"1122138"	195.083668	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2Na"	45.978436
"1405661"	130.391537333333	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H+2Na"	46.985712
"1434495"	391.201646	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H+HCOOH"	47.012746
"220421"	372.21114	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+3H2O+2H"	56.04448
"1511159"	405.25369	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+IsoProp+H"	61.06479
"409993"	375.165088	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+Na+K"	61.952376
"772202"	547.259538	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+Na+K"	61.952376
"1666141"	203.070638	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Na+K"	61.952376
"252857"	752.393568	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+ACN+Na"	64.015768
"1228859"	408.204668	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+ACN+Na"	64.015768
"1723586"	408.228193	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+NH4+HCOOH"	64.039293
"1191126"	137.718851333333	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+3Na"	68.967654
"1662115"	413.183588	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Na+HCOOH"	68.994688
"169340"	765.29684	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+2K-H"	76.91904
"610601"	1109.48574	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+2K-H"	76.91904
"1099490"	421.10794	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2K-H"	76.91904
"155343"	383.152058	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"2M+2K"	77.926316
"596561"	555.246508	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"3M+2K"	77.926316
"1082328"	211.057608	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2K"	77.926316
"1114322"	423.122492	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2K+H"	78.933592
"1349372"	423.210107	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+DMSO+H"	79.021207
"1019720"	427.249276	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2ACN+H"	83.060376
"1538210"	428.242908	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+IsoProp+Na+H"	84.054008
"1003564"	214.128276	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+2ACN+2H"	84.067652
"1600990"	429.157528	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+K+HCOOH"	84.968628
"1427373"	459.189038	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+H+CF3COOH"	115.000138
"1156202"	234.641551	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+3ACN+2H"	125.094202
"1711221"	476.215585	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+NH4+CF3COOH"	132.026685
"1642498"	481.17098	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+Na+CF3COOH"	136.98208
"1578147"	497.14492	"C20169"	"()TAN-67"	"C23H24N2O"	"344.1889"	"M+K+CF3COOH"	152.95602
"815074"	163.0092	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M"	0
"979859"	143.99081	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-H2O-H"	-19.01839
"72478"	107.665524	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M-3H"	-3.021828
"509850"	162.001924	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M-3H"	-3.021828
"886559"	53.329124	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-3H"	-3.021828
"4039"	162.001924	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M-2H"	-2.014552
"442506"	243.506524	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M-2H"	-2.014552
"829059"	80.497324	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-2H"	-2.014552
"86864"	325.011124	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M-H"	-1.007276
"524235"	488.020324	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M-H"	-1.007276
"906424"	162.001924	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-H"	-1.007276
"59342"	342.037671	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M-2H+NH4"	16.019271
"491611"	505.046871	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M-2H+NH4"	16.019271
"870505"	179.028471	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-2H+NH4"	16.019271
"38406"	346.993066	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M-2H+Na"	20.974666
"480151"	510.002266	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M-2H+Na"	20.974666
"857955"	183.983866	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-2H+Na"	20.974666
"1627487"	183.983866	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Na-2H"	20.974666
"100734"	179.990263	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M-H+Cl"	33.962126
"541388"	261.494863	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M-H+Cl"	33.962126
"933078"	98.485663	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-H+Cl"	33.962126
"274549"	360.987802	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+Cl"	34.969402
"673176"	523.997002	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+Cl"	34.969402
"1287037"	197.978602	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Cl"	34.969402
"30332"	362.967006	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M-2H+K"	36.948606
"470257"	525.976206	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M-2H+K"	36.948606
"848341"	199.957806	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-2H+K"	36.948606
"1571060"	199.957806	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+K-2H"	36.948606
"958396"	208.007394	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-H+HCOOH"	44.998194
"376875"	371.016601	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+HCOOH-H"	44.998201
"354961"	385.032251	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+Hac-H"	59.013851
"1501604"	222.023051	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Hac-H"	59.013851
"965863"	229.989351	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-H+NaCOOH"	66.980151
"120968"	197.978602	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+2Cl"	69.938804
"557617"	279.483202	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+2Cl"	69.938804
"1032976"	116.474002	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2Cl"	69.938804
"1255476"	241.928085	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Br"	78.918885
"1315738"	243.984072	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Cl+HCOOH"	80.974872
"1332505"	265.966029	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Cl+NaCOOH"	102.956829
"922103"	275.994786	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M-H+CF3COOH"	112.985586
"1298086"	311.971464	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Cl+CF3COOH"	148.962264
"1376248"	127.996524	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H-2H2O"	-35.012676
"1391558"	146.0065	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H-H2O"	-17.0027
"292337"	327.025676	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+H"	1.007276
"689142"	490.034876	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+H"	1.007276
"1364397"	164.016476	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H"	1.007276
"132910"	164.016476	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+2H"	2.014552
"571375"	245.521076	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+2H"	2.014552
"1044549"	82.511876	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2H"	2.014552
"211356"	109.680076	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+3H"	3.021828
"653104"	164.016476	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+3H"	3.021828
"1175242"	55.343676	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+3H"	3.021828
"437426"	344.052223	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+NH4"	18.033823
"786757"	507.061423	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+NH4"	18.033823
"1684181"	181.043023	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+NH4"	18.033823
"330756"	172.5297495	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+H+NH4"	19.041099
"728160"	254.0343495	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+H+NH4"	19.041099
"1480886"	91.0251495	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H+NH4"	19.041099
"397378"	349.007618	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+Na"	22.989218
"757281"	512.016818	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+Na"	22.989218
"1611942"	185.998418	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Na"	22.989218
"319792"	175.007447	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+H+Na"	23.996494
"714399"	256.512047	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+H+Na"	23.996494
"1463117"	93.502847	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H+Na"	23.996494
"1055997"	62.67099	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2H+Na"	25.00377
"1262051"	196.042686	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+CH3OH+H"	33.033486
"378800"	364.981558	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+K"	38.963158
"741255"	527.990758	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+K"	38.963158
"1542215"	201.972358	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+K"	38.963158
"299755"	182.994417	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+H+K"	39.970434
"706778"	264.499017	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+H+K"	39.970434
"1458045"	101.489817	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H+K"	39.970434
"248830"	368.052226	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+ACN+H"	42.033826
"1223360"	205.043026	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+ACN+H"	42.033826
"1202140"	103.025151	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+ACN+2H"	43.041102
"198291"	370.98956	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+2Na-H"	44.97116
"635665"	533.99876	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+2Na-H"	44.97116
"1135892"	207.98036	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2Na-H"	44.97116
"175172"	185.998418	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+2Na"	45.978436
"618741"	267.503018	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+2Na"	45.978436
"1119332"	104.493818	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2Na"	45.978436
"1400668"	69.998304	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H+2Na"	46.985712
"1432784"	210.021946	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H+HCOOH"	47.012746
"222114"	191.03144	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+3H2O+2H"	56.04448
"1510903"	224.07399	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+IsoProp+H"	61.06479
"410955"	193.985388	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+Na+K"	61.952376
"772678"	275.489988	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+Na+K"	61.952376
"1671564"	112.480788	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Na+K"	61.952376
"256621"	390.034168	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+ACN+Na"	64.015768
"1238452"	227.024968	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+ACN+Na"	64.015768
"1727220"	227.048493	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+NH4+HCOOH"	64.039293
"1192573"	77.325618	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+3Na"	68.967654
"1665429"	232.003888	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Na+HCOOH"	68.994688
"170545"	402.93744	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+2K-H"	76.91904
"612541"	565.94664	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+2K-H"	76.91904
"1098392"	239.92824	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2K-H"	76.91904
"155088"	201.972358	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"2M+2K"	77.926316
"594651"	283.476958	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"3M+2K"	77.926316
"1080616"	120.467758	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2K"	77.926316
"1113094"	241.942792	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2K+H"	78.933592
"1341828"	242.030407	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+DMSO+H"	79.021207
"1016918"	246.069576	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2ACN+H"	83.060376
"1533949"	247.063208	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+IsoProp+Na+H"	84.054008
"1001492"	123.538426	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+2ACN+2H"	84.067652
"1599274"	247.977828	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+K+HCOOH"	84.968628
"1427849"	278.009338	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+H+CF3COOH"	115.000138
"1160687"	144.051701	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+3ACN+2H"	125.094202
"1711331"	295.035885	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+NH4+CF3COOH"	132.026685
"1643701"	299.99128	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+Na+CF3COOH"	136.98208
"1578257"	315.96522	"C20170"	"Benzoyl isothiocyanate"	"C8H5NOS"	"163.0092"	"M+K+CF3COOH"	152.95602
"802061"	311.0906	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M"	0
"975593"	292.07221	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-H2O-H"	-19.01839
"64081"	206.386457333333	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M-3H"	-3.021828
"507773"	310.083324	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M-3H"	-3.021828
"880084"	102.689590666667	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-3H"	-3.021828
"3056"	310.083324	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M-2H"	-2.014552
"442616"	465.628624	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M-2H"	-2.014552
"825889"	154.538024	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-2H"	-2.014552
"81508"	621.173924	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M-H"	-1.007276
"522158"	932.264524	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M-H"	-1.007276
"907630"	310.083324	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-H"	-1.007276
"61033"	638.200471	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M-2H+NH4"	16.019271
"499375"	949.291071	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M-2H+NH4"	16.019271
"870615"	327.109871	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-2H+NH4"	16.019271
"39610"	643.155866	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M-2H+Na"	20.974666
"476981"	954.246466	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M-2H+Na"	20.974666
"860252"	332.065266	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-2H+Na"	20.974666
"1633715"	332.065266	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Na-2H"	20.974666
"104125"	328.071663	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M-H+Cl"	33.962126
"539311"	483.616963	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M-H+Cl"	33.962126
"931002"	172.526363	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-H+Cl"	33.962126
"271379"	657.150602	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+Cl"	34.969402
"674385"	968.241202	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+Cl"	34.969402
"1286054"	346.060002	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Cl"	34.969402
"30320"	659.129806	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M-2H+K"	36.948606
"471389"	970.220406	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M-2H+K"	36.948606
"846704"	348.039206	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-2H+K"	36.948606
"1570439"	348.039206	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+K-2H"	36.948606
"958372"	356.088794	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-H+HCOOH"	44.998194
"375809"	667.179401	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+HCOOH-H"	44.998201
"357258"	681.195051	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+Hac-H"	59.013851
"1499892"	370.104451	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Hac-H"	59.013851
"964880"	378.070751	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-H+NaCOOH"	66.980151
"121078"	346.060002	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+2Cl"	69.938804
"554442"	501.605302	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+2Cl"	69.938804
"1030900"	190.514702	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2Cl"	69.938804
"1254858"	390.009485	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Br"	78.918885
"1319744"	392.065472	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Cl+HCOOH"	80.974872
"1334439"	414.047429	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Cl+NaCOOH"	102.956829
"920391"	424.076186	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M-H+CF3COOH"	112.985586
"1300749"	460.052864	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Cl+CF3COOH"	148.962264
"1378912"	276.077924	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H-2H2O"	-35.012676
"1391668"	294.0879	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H-H2O"	-17.0027
"291354"	623.188476	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+H"	1.007276
"691076"	934.279076	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+H"	1.007276
"1365235"	312.097876	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H"	1.007276
"138489"	312.097876	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+2H"	2.014552
"575862"	467.643176	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+2H"	2.014552
"1047941"	156.552576	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2H"	2.014552
"209280"	208.401009333333	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+3H"	3.021828
"651026"	312.097876	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+3H"	3.021828
"1174623"	104.704142666667	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+3H"	3.021828
"434620"	640.215023	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+NH4"	18.033823
"796710"	951.305623	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+NH4"	18.033823
"1690852"	329.124423	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+NH4"	18.033823
"342412"	320.6111495	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+H+NH4"	19.041099
"730459"	476.1564495	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+H+NH4"	19.041099
"1478812"	165.0658495	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H+NH4"	19.041099
"395304"	645.170418	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+Na"	22.989218
"760674"	956.261018	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+Na"	22.989218
"1608773"	334.079818	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Na"	22.989218
"320999"	323.088847	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+H+Na"	23.996494
"711232"	478.634147	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+H+Na"	23.996494
"1462865"	167.543547	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H+Na"	23.996494
"1055381"	112.031456666667	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2H+Na"	25.00377
"1262161"	344.124086	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+CH3OH+H"	33.033486
"378913"	661.144358	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+K"	38.963158
"739096"	972.234958	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+K"	38.963158
"1540503"	350.053758	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+K"	38.963158
"299137"	331.075817	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+H+K"	39.970434
"699960"	486.621117	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+H+K"	39.970434
"1455964"	175.530517	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H+K"	39.970434
"245658"	664.215026	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+ACN+H"	42.033826
"1221645"	353.124426	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+ACN+H"	42.033826
"1200062"	177.065851	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+ACN+2H"	43.041102
"197308"	667.15236	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+2Na-H"	44.97116
"632494"	978.24296	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+2Na-H"	44.97116
"1139281"	356.06176	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2Na-H"	44.97116
"178562"	334.079818	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+2Na"	45.978436
"622132"	489.625118	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+2Na"	45.978436
"1124545"	178.534518	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2Na"	45.978436
"1405881"	119.358770666667	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H+2Na"	46.985712
"1437997"	358.103346	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H+HCOOH"	47.012746
"222589"	339.11284	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+3H2O+2H"	56.04448
"1509192"	372.15539	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+IsoProp+H"	61.06479
"413618"	342.066788	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+Na+K"	61.952376
"772791"	497.612088	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+Na+K"	61.952376
"1669848"	186.521488	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Na+K"	61.952376
"255273"	686.196968	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+ACN+Na"	64.015768
"1236371"	375.106368	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+ACN+Na"	64.015768
"1723071"	375.129893	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+NH4+HCOOH"	64.039293
"1194065"	126.686084666667	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+3Na"	68.967654
"1665333"	380.085288	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Na+HCOOH"	68.994688
"170655"	699.10024	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+2K-H"	76.91904
"611306"	1010.19084	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+2K-H"	76.91904
"1097653"	388.00964	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2K-H"	76.91904
"156046"	350.053758	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"2M+2K"	77.926316
"596457"	505.599058	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"3M+2K"	77.926316
"1081091"	194.508458	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2K"	77.926316
"1113571"	390.024192	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2K+H"	78.933592
"1348135"	390.111807	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+DMSO+H"	79.021207
"1012654"	394.150976	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2ACN+H"	83.060376
"1536248"	395.144608	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+IsoProp+Na+H"	84.054008
"1001602"	197.579126	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+2ACN+2H"	84.067652
"1599384"	396.059228	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+K+HCOOH"	84.968628
"1426868"	426.090738	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+H+CF3COOH"	115.000138
"1162256"	218.092401	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+3ACN+2H"	125.094202
"1712172"	443.117285	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+NH4+CF3COOH"	132.026685
"1643811"	448.07268	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+Na+CF3COOH"	136.98208
"1578367"	464.04662	"C20171"	"Icilin;AG 3-5"	"C16H13N3O4"	"311.0906"	"M+K+CF3COOH"	152.95602
"802535"	222.1984	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M"	0
"975703"	203.18001	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"63945"	147.124990666667	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"502902"	221.191124	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"880692"	73.0588573333333	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"3894"	221.191124	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"440539"	332.290324	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"822719"	110.091924	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"81613"	443.389524	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"519829"	665.587924	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"908471"	221.191124	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"58472"	460.416071	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"499485"	682.614471	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"877286"	238.217671	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"40812"	465.371466	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"477091"	687.569866	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"861821"	243.173066	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1629894"	243.173066	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"104235"	239.179463	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"538328"	350.278663	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"930748"	128.080263	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"271489"	479.366202	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"673035"	701.564602	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1286893"	257.167802	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"29822"	481.345406	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"471183"	703.543806	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"846815"	259.147006	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1570184"	259.147006	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"957949"	267.196594	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"375313"	489.395001	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"357004"	503.410651	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1502919"	281.212251	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"966084"	289.178551	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"118271"	257.167802	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"555646"	368.267002	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1032103"	146.068602	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1255332"	301.117285	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1318759"	303.173272	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1333820"	325.155229	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"920501"	335.183986	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1302318"	371.160664	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1381942"	187.185724	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1393965"	205.1957	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"291464"	445.404076	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"678050"	667.602476	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1354037"	223.205676	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"135312"	223.205676	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"567580"	334.304876	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1050969"	112.106476	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"215222"	149.139542666667	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"651136"	223.205676	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1165251"	75.0734093333333	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"435823"	462.430623	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"795726"	684.629023	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1690962"	240.232223	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"344345"	231.7189495	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"736037"	342.8181495	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1482202"	120.6197495	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"396507"	467.386018	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"762971"	689.584418	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1612163"	245.187618	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"318557"	234.196647	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"714622"	345.295847	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1464433"	123.097447	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1058772"	82.4007233333333	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1263364"	255.231886	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"379753"	483.359958	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"739290"	705.558358	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1541097"	261.161558	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"300705"	242.183617	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"703351"	353.282817	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1453890"	131.084417	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"246864"	486.430626	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1221756"	264.232226	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1202361"	132.619751	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"197418"	489.36796	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"636979"	711.56636	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1143766"	267.16956	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"179766"	245.187618	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"622242"	356.286818	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1123926"	134.088418	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1404169"	89.7280373333333	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1438107"	269.211146	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"223427"	250.22064	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1514770"	283.26319	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"415552"	253.174588	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"777640"	364.273788	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1669960"	142.075388	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"255383"	508.412568	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1231740"	286.214168	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1718438"	286.237693	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1193281"	97.0553513333333	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1664632"	291.193088	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"169665"	521.31584	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"610320"	743.51424	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1099869"	299.11744	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"156035"	261.161558	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"594871"	372.260758	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1081201"	150.062358	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1112223"	301.131992	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1348608"	301.219607	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1017869"	305.258776	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1538542"	306.252408	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1001712"	153.133026	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1599495"	307.167028	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1426250"	337.198538	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1162366"	173.646301	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1711919"	354.225085	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1643921"	359.18048	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1578477"	375.15442	"C20172"	"Cubebol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"805561"	204.1878	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M"	0
"976906"	185.16941	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"68427"	135.117924	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"512361"	203.180524	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"882505"	67.055324	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"3277"	203.180524	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"441135"	305.274424	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"819182"	101.086624	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"80628"	407.368324	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"520911"	611.556124	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"906758"	203.180524	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"58581"	424.394871	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"498502"	628.582671	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"875939"	220.207071	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"40922"	429.350266	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479388"	633.538066	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"860838"	225.162466	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1627817"	225.162466	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"101065"	221.168863	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538439"	323.262763	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"928671"	119.074963	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"267952"	443.345002	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"673512"	647.532802	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285911"	239.157202	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"29569"	445.324206	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"471085"	649.512006	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847049"	241.136406	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1568960"	241.136406	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956844"	249.185994	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374696"	453.373801	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"356750"	467.389451	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1501935"	263.201651	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967287"	271.167951	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"117288"	239.157202	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554663"	341.251102	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030026"	137.063302	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254715"	283.106685	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317528"	285.162672	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334417"	307.144629	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"918424"	317.173386	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1300240"	353.150064	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1381563"	169.175124	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1393347"	187.1851	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291574"	409.382876	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"679619"	613.570676	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1353418"	205.195076	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"135423"	205.195076	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"568419"	307.288976	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1051687"	103.101176	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"213509"	137.132476	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651246"	205.195076	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164997"	69.069876	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435933"	426.409423	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"796931"	630.597223	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1694352"	222.221623	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"341539"	213.7083495	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"730679"	315.8022495	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480125"	111.6144495	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396617"	431.364818	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"759797"	635.552618	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1612273"	227.177018	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"317937"	216.186047	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"710358"	318.279947	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1467457"	114.092147	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1057421"	76.39719	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258371"	237.221286	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379133"	447.338758	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740854"	651.526558	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541814"	243.150958	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300451"	224.173017	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"703097"	326.266917	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1452908"	122.079117	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246973"	450.409426	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1220773"	246.221626	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1200284"	123.614451	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194248"	453.34676	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"631620"	657.53456	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1138408"	249.15896	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"180605"	227.177018	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"619436"	329.270918	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121121"	125.083118	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1403915"	83.724504	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435301"	251.200546	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"225725"	232.21004	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1514880"	265.25259	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"412746"	235.163988	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"774834"	337.257888	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1672257"	133.070088	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"252941"	472.391368	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1232215"	268.203568	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1718548"	268.227093	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1191201"	91.051818	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661821"	273.182488	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166495"	485.29464	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"610430"	689.48244	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1099079"	281.10684	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154688"	243.150958	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"593887"	345.244858	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1081309"	141.057058	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1112699"	283.121392	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1348353"	283.209007	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1018341"	287.248176	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1536466"	288.241808	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1003279"	144.127726	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600701"	289.156428	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1428546"	319.187938	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1161626"	164.641001	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711664"	336.214485	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1644031"	341.16988	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1578587"	357.14382	"C20173"	"()-gamma-Cadinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"805671"	204.1878	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M"	0
"984670"	185.16941	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"74006"	135.117924	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"514659"	203.180524	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"883712"	67.055324	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"5573"	203.180524	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"442218"	305.274424	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"820751"	101.086624	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"80741"	407.368324	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519934"	611.556124	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909418"	203.180524	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"59784"	424.394871	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"493145"	628.582671	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"876413"	220.207071	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"41031"	429.350266	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479498"	633.538066	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856207"	225.162466	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1624647"	225.162466	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"98987"	221.168863	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"539642"	323.262763	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929873"	119.074963	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269276"	443.345002	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"674230"	647.532802	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1286386"	239.157202	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"31273"	445.324206	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"471341"	649.512006	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847887"	241.136406	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570417"	241.136406	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957805"	249.185994	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374806"	453.373801	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357953"	467.389451	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504233"	263.201651	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967398"	271.167951	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"119585"	239.157202	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554772"	341.251102	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030136"	137.063302	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254825"	283.106685	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317638"	285.162672	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334040"	307.144629	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"919628"	317.173386	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1293053"	353.150064	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1375593"	169.175124	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1391635"	187.1851	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291320"	409.382876	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"678270"	613.570676	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1354987"	205.195076	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H"	1.007276
"134804"	205.195076	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"568530"	307.288976	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1052635"	103.101176	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"213983"	137.132476	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651356"	205.195076	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1165107"	69.069876	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"439324"	426.409423	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"795947"	630.597223	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1694462"	222.221623	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340555"	213.7083495	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"728602"	315.8022495	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480599"	111.6144495	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"397820"	431.364818	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"757721"	635.552618	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1611289"	227.177018	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"321325"	216.186047	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"712653"	318.279947	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1464286"	114.092147	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1059718"	76.39719	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1262490"	237.221286	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377498"	447.338758	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739505"	651.526558	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541922"	243.150958	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300557"	224.173017	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"704665"	326.266917	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458851"	122.079117	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"249272"	450.409426	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1221976"	246.221626	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1203675"	123.614451	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"199827"	453.34676	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"639387"	657.53456	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1142894"	249.15896	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"185820"	227.177018	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623556"	329.270918	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122689"	125.083118	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404024"	83.724504	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435775"	251.200546	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"228022"	232.21004	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1518270"	265.25259	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"415044"	235.163988	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"773484"	337.257888	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669816"	133.070088	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253417"	472.391368	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230137"	268.203568	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719024"	268.227093	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1193620"	91.051818	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1656463"	273.182488	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167698"	485.29464	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"610540"	689.48244	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097974"	281.10684	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154435"	243.150958	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"594481"	345.244858	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1079597"	141.057058	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110987"	283.121392	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1346278"	283.209007	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1019057"	287.248176	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1535849"	288.241808	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001932"	144.127726	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1600810"	289.156428	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1429021"	319.187938	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1162466"	164.641001	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711046"	336.214485	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1647421"	341.16988	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1581977"	357.14382	"C20174"	"delta-Guaiene;alpha-Bulnesene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802501"	204.1878	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M"	0
"976032"	185.16941	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"68648"	135.117924	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"512581"	203.180524	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"879996"	67.055324	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"115"	203.180524	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"443421"	305.274424	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"821224"	101.086624	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"78696"	407.368324	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519916"	611.556124	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"904783"	203.180524	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"59891"	424.394871	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"489975"	628.582671	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873242"	220.207071	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"38954"	429.350266	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"475235"	633.538066	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"856317"	225.162466	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1625850"	225.162466	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96911"	221.168863	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"534770"	323.262763	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"928890"	119.074963	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268657"	443.345002	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"675030"	647.532802	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1286132"	239.157202	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30533"	445.324206	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"470538"	649.512006	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"848239"	241.136406	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570526"	241.136406	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"958401"	249.185994	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375644"	453.373801	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359156"	467.389451	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504343"	263.201651	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967508"	271.167951	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"121882"	239.157202	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554882"	341.251102	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1028059"	137.063302	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254934"	283.106685	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317748"	285.162672	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1333422"	307.144629	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920831"	317.173386	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1295350"	353.150064	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1375702"	169.175124	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1392838"	187.1851	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291794"	409.382876	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"678745"	613.570676	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1355097"	205.195076	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H"	1.007276
"134549"	205.195076	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"568640"	307.288976	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1050934"	103.101176	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"213000"	137.132476	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"650373"	205.195076	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164124"	69.069876	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436884"	426.409423	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"796057"	630.597223	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691292"	222.221623	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340665"	213.7083495	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"726525"	315.8022495	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1481438"	111.6144495	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"399023"	431.364818	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758924"	635.552618	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1609212"	227.177018	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"319248"	216.186047	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709484"	318.279947	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1464031"	114.092147	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1057642"	76.39719	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1260413"	237.221286	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377444"	447.338758	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"738887"	651.526558	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540450"	243.150958	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+K"	38.963158
"298965"	224.173017	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"699296"	326.266917	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1456394"	122.079117	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"248652"	450.409426	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1218806"	246.221626	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1203053"	123.614451	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"196653"	453.34676	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"636579"	657.53456	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1141911"	249.15896	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"185566"	227.177018	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623666"	329.270918	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1123527"	125.083118	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404134"	83.724504	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435885"	251.200546	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"225945"	232.21004	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1517287"	265.25259	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"415882"	235.163988	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"771407"	337.257888	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669559"	133.070088	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"252554"	472.391368	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230976"	268.203568	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719134"	268.227093	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1193609"	91.051818	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1657666"	273.182488	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167808"	485.29464	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"612353"	689.48244	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1098326"	281.10684	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"153820"	243.150958	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"595927"	345.244858	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1078248"	141.057058	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1112553"	283.121392	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1348209"	283.209007	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1018196"	287.248176	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1536685"	288.241808	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1003137"	144.127726	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1601284"	289.156428	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427308"	319.187938	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1162685"	164.641001	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1712247"	336.214485	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1647531"	341.16988	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582087"	357.14382	"C20175"	"Bicyclogermacrene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802611"	443.0243	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M"	0
"979424"	424.00591	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-H2O-H"	-19.01839
"66573"	294.342257333333	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M-3H"	-3.021828
"511599"	442.017024	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M-3H"	-3.021828
"880282"	146.667490666667	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-3H"	-3.021828
"128"	442.017024	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M-2H"	-2.014552
"442073"	663.529174	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M-2H"	-2.014552
"819874"	220.504874	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-2H"	-2.014552
"79255"	885.041324	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M-H"	-1.007276
"520878"	1328.065624	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M-H"	-1.007276
"904893"	442.017024	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-H"	-1.007276
"58178"	902.067871	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M-2H+NH4"	16.019271
"488504"	1345.092171	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M-2H+NH4"	16.019271
"872259"	459.043571	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-2H+NH4"	16.019271
"35784"	907.023266	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M-2H+Na"	20.974666
"471464"	1350.047566	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M-2H+Na"	20.974666
"854240"	463.998966	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-2H+Na"	20.974666
"1625960"	463.998966	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Na-2H"	20.974666
"94834"	460.005363	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M-H+Cl"	33.962126
"536580"	681.517513	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M-H+Cl"	33.962126
"927907"	238.493213	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-H+Cl"	33.962126
"268648"	921.018002	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+Cl"	34.969402
"672013"	1364.042302	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+Cl"	34.969402
"1286605"	477.993702	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Cl"	34.969402
"31369"	922.997206	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M-2H+K"	36.948606
"471043"	1366.021506	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M-2H+K"	36.948606
"848458"	479.972906	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-2H+K"	36.948606
"1570915"	479.972906	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+K-2H"	36.948606
"958230"	488.022494	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-H+HCOOH"	44.998194
"375750"	931.046801	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+HCOOH-H"	44.998201
"360239"	945.062451	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+Hac-H"	59.013851
"1505545"	502.038151	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Hac-H"	59.013851
"968711"	510.004451	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-H+NaCOOH"	66.980151
"119805"	477.993702	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+2Cl"	69.938804
"552076"	699.505852	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+2Cl"	69.938804
"1028169"	256.481552	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2Cl"	69.938804
"1254681"	521.943185	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Br"	78.918885
"1314576"	523.999172	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Cl+HCOOH"	80.974872
"1330978"	545.981129	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Cl+NaCOOH"	102.956829
"917661"	556.009886	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M-H+CF3COOH"	112.985586
"1295460"	591.986564	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Cl+CF3COOH"	148.962264
"1369613"	408.011624	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H-2H2O"	-35.012676
"1388937"	426.0216	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H-H2O"	-17.0027
"283880"	887.055876	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+H"	1.007276
"676664"	1330.080176	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+H"	1.007276
"1354113"	444.031576	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H"	1.007276
"130284"	444.031576	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+2H"	2.014552
"566925"	665.543726	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+2H"	2.014552
"1047034"	222.519426	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2H"	2.014552
"212746"	296.356809333333	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+3H"	3.021828
"650483"	444.031576	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+3H"	3.021828
"1165326"	148.682042666667	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+3H"	3.021828
"436264"	904.082423	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+NH4"	18.033823
"786687"	1347.106723	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+NH4"	18.033823
"1687030"	461.058123	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+NH4"	18.033823
"333486"	452.5448495	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+H+NH4"	19.041099
"724325"	674.0569995	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+H+NH4"	19.041099
"1479725"	231.0326995	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H+NH4"	19.041099
"396947"	909.037818	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+Na"	22.989218
"755025"	1352.062118	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+Na"	22.989218
"1604582"	466.013518	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Na"	22.989218
"314268"	455.022547	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+H+Na"	23.996494
"707766"	676.534697	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+H+Na"	23.996494
"1461325"	233.510397	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H+Na"	23.996494
"1053494"	156.009356666667	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2H+Na"	25.00377
"1257970"	476.057786	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+CH3OH+H"	33.033486
"377756"	925.011758	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+K"	38.963158
"738710"	1368.036058	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+K"	38.963158
"1539988"	481.987458	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+K"	38.963158
"298574"	463.009517	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+H+K"	39.970434
"700497"	684.521667	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+H+K"	39.970434
"1456504"	241.497367	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H+K"	39.970434
"248032"	928.082426	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+ACN+H"	42.033826
"1215634"	485.058126	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+ACN+H"	42.033826
"1200609"	243.032701	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+ACN+2H"	43.041102
"195669"	931.01976	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+2Na-H"	44.97116
"637418"	1374.04406	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+2Na-H"	44.97116
"1144206"	487.99546	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2Na-H"	44.97116
"184944"	466.013518	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+2Na"	45.978436
"622683"	687.525668	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+2Na"	45.978436
"1126552"	244.501368	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2Na"	45.978436
"1404244"	163.336670666667	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H+2Na"	46.985712
"1438182"	490.037046	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H+HCOOH"	47.012746
"228242"	471.04654	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+3H2O+2H"	56.04448
"1518490"	504.08909	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+IsoProp+H"	61.06479
"414899"	474.000488	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+Na+K"	61.952376
"771153"	695.512638	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+Na+K"	61.952376
"1666754"	252.488338	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Na+K"	61.952376
"252908"	950.064368	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+ACN+Na"	64.015768
"1226103"	507.040068	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+ACN+Na"	64.015768
"1717058"	507.063593	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+NH4+HCOOH"	64.039293
"1188977"	170.663984666667	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+3Na"	68.967654
"1655590"	512.018988	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Na+HCOOH"	68.994688
"162450"	962.96764	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+2K-H"	76.91904
"605292"	1405.99194	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+2K-H"	76.91904
"1098434"	519.94334	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2K-H"	76.91904
"156348"	481.987458	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"2M+2K"	77.926316
"596397"	703.499608	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"3M+2K"	77.926316
"1080181"	260.475308	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2K"	77.926316
"1112662"	521.957892	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2K+H"	78.933592
"1347953"	522.045507	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+DMSO+H"	79.021207
"1018669"	526.084676	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2ACN+H"	83.060376
"1536794"	527.078308	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+IsoProp+Na+H"	84.054008
"1002880"	263.545976	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+2ACN+2H"	84.067652
"1599934"	527.992928	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+K+HCOOH"	84.968628
"1428146"	558.024438	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+H+CF3COOH"	115.000138
"1162565"	284.059251	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+3ACN+2H"	125.094202
"1709804"	575.050985	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+NH4+CF3COOH"	132.026685
"1648735"	580.00638	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+Na+CF3COOH"	136.98208
"1582197"	595.98032	"C20176"	"8-Oxo-dGDP"	"C10H15N5O11P2"	"443.0243"	"M+K+CF3COOH"	152.95602
"811469"	204.1878	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M"	0
"979534"	185.16941	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66682"	135.117924	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"511709"	203.180524	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880475"	67.055324	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"1527"	203.180524	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"441087"	305.274424	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"821077"	101.086624	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"79609"	407.368324	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519895"	611.556124	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"903909"	203.180524	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"55007"	424.394871	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"492382"	628.582671	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"870183"	220.207071	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"31485"	429.350266	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"471514"	633.538066	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"854350"	225.162466	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1624977"	225.162466	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"94943"	221.168863	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"534311"	323.262763	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"927101"	119.074963	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"267419"	443.345002	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670302"	647.532802	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1284895"	239.157202	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"29639"	445.324206	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"471315"	649.512006	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"845907"	241.136406	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1568664"	241.136406	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956910"	249.185994	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372942"	453.373801	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"352450"	467.389451	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1496906"	263.201651	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"961165"	271.167951	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"114447"	239.157202	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"552186"	341.251102	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1027186"	137.063302	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1255153"	283.106685	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1314686"	285.162672	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1327808"	307.144629	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"919957"	317.173386	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1297757"	353.150064	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1370451"	169.175124	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1389047"	187.1851	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"284353"	409.382876	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"677141"	613.570676	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1354223"	205.195076	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128569"	205.195076	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"568855"	307.288976	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039846"	103.101176	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"205677"	137.132476	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651686"	205.195076	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164343"	69.069876	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"434187"	426.409423	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"787527"	630.597223	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1685317"	222.221623	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"332866"	213.7083495	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"723705"	315.8022495	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1479835"	111.6144495	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396327"	431.364818	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"755499"	635.552618	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1605785"	227.177018	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"314434"	216.186047	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707625"	318.279947	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461609"	114.092147	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1052843"	76.39719	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257218"	237.221286	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"378232"	447.338758	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"738520"	651.526558	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540008"	243.150958	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+K"	38.963158
"298690"	224.173017	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700607"	326.266917	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1451147"	122.079117	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"247412"	450.409426	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1217930"	246.221626	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1200719"	123.614451	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"195779"	453.34676	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"637892"	657.53456	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1144317"	249.15896	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"183964"	227.177018	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624981"	329.270918	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121195"	125.083118	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1408729"	83.724504	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1437563"	251.200546	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"231632"	232.21004	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1518600"	265.25259	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"418289"	235.163988	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"774909"	337.257888	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1666864"	133.070088	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"251925"	472.391368	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1225649"	268.203568	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1717168"	268.227093	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1186901"	91.051818	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1655700"	273.182488	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161467"	485.29464	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"605402"	689.48244	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1094289"	281.10684	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"155365"	243.150958	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"595045"	345.244858	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080657"	141.057058	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1113135"	283.121392	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1346969"	283.209007	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017686"	287.248176	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1537634"	288.241808	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1003719"	144.127726	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1602555"	289.156428	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1429796"	319.187938	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1162722"	164.641001	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711007"	336.214485	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1643377"	341.16988	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1579027"	357.14382	"C20177"	"7-epi-Sesquithujene;()-7-epi-Sesquithujene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"815955"	204.1878	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M"	0
"986208"	185.16941	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"72263"	135.117924	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"508541"	203.180524	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"886342"	67.055324	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"8198"	203.180524	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"442659"	305.274424	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"821191"	101.086624	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"80815"	407.368324	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"522922"	611.556124	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"902929"	203.180524	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"55846"	424.394871	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"488847"	628.582671	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"865190"	220.207071	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37099"	429.350266	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"478848"	633.538066	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"857742"	225.162466	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1625087"	225.162466	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"97240"	221.168863	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"535343"	323.262763	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929584"	119.074963	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"269233"	443.345002	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"671141"	647.532802	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1282449"	239.157202	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30846"	445.324206	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"470860"	649.512006	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"848210"	241.136406	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1571090"	241.136406	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"958286"	249.185994	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"373052"	453.373801	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"358027"	467.389451	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1506858"	263.201651	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"967837"	271.167951	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"120025"	239.157202	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"557399"	341.251102	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1029482"	137.063302	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253805"	283.106685	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317712"	285.162672	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1330834"	307.144629	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"917882"	317.173386	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1300056"	353.150064	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372750"	169.175124	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1389157"	187.1851	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"286652"	409.382876	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"678710"	613.570676	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1353604"	205.195076	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H"	1.007276
"131596"	205.195076	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570061"	307.288976	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1038984"	103.101176	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"211139"	137.132476	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651796"	205.195076	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1166640"	69.069876	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436481"	426.409423	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"797479"	630.597223	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692715"	222.221623	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"336618"	213.7083495	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"724303"	315.8022495	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1478852"	111.6144495	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"398260"	431.364818	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"759255"	635.552618	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1606261"	227.177018	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315079"	216.186047	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708471"	318.279947	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461881"	114.092147	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053185"	76.39719	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258068"	237.221286	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379315"	447.338758	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"738933"	651.526558	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540663"	243.150958	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300389"	224.173017	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"697438"	326.266917	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1451258"	122.079117	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"243144"	450.409426	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1215852"	246.221626	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1197547"	123.614451	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194793"	453.34676	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"633627"	657.53456	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1138954"	249.15896	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"175684"	227.177018	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623997"	329.270918	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1124223"	125.083118	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1408840"	83.724504	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1440956"	251.200546	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"231744"	232.21004	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1517619"	265.25259	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"416212"	235.163988	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"775019"	337.257888	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1666732"	133.070088	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"253860"	472.391368	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226242"	268.203568	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1713065"	268.227093	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187011"	91.051818	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1660185"	273.182488	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"165952"	485.29464	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"600043"	689.48244	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095863"	281.10684	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154500"	243.150958	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"594064"	345.244858	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1072020"	141.057058	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1107414"	283.121392	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1343800"	283.209007	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1011236"	287.248176	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1529360"	288.241808	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1002005"	144.127726	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1599059"	289.156428	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1429582"	319.187938	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1162301"	164.641001	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711117"	336.214485	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1647861"	341.16988	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1579137"	357.14382	"C20178"	"Sesquithujene;()-Sesquithujene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802941"	204.1878	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M"	0
"979754"	185.16941	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"70183"	135.117924	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"511929"	203.180524	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880984"	67.055324	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"1748"	203.180524	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"445681"	305.274424	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"820208"	101.086624	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"79831"	407.368324	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"523032"	611.556124	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"896838"	203.180524	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"50852"	424.394871	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"488957"	628.582671	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"864647"	220.207071	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"33929"	429.350266	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"480051"	633.538066	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"853478"	225.162466	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619730"	225.162466	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96010"	221.168863	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538003"	323.262763	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929330"	119.074963	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"268245"	443.345002	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"671249"	647.532802	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1282559"	239.157202	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30793"	445.324206	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"471127"	649.512006	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"848417"	241.136406	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570916"	241.136406	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957745"	249.185994	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"372798"	453.373801	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"355950"	467.389451	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1505874"	263.201651	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"966854"	271.167951	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"119042"	239.157202	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554593"	341.251102	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1027406"	137.063302	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253915"	283.106685	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1319773"	285.162672	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334592"	307.144629	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924555"	317.173386	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1299072"	353.150064	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372859"	169.175124	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1385981"	187.1851	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"289680"	409.382876	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"682466"	613.570676	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1361005"	205.195076	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H"	1.007276
"133892"	205.195076	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573450"	307.288976	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1040066"	103.101176	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"209059"	137.132476	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"651906"	205.195076	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164564"	69.069876	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436591"	426.409423	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798678"	630.597223	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1693914"	222.221623	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340008"	213.7083495	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"725872"	315.8022495	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480783"	111.6144495	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"401650"	431.364818	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"760459"	635.552618	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1607465"	227.177018	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315675"	216.186047	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708218"	318.279947	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463007"	114.092147	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1055164"	76.39719	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258057"	237.221286	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"380520"	447.338758	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739692"	651.526558	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1543570"	243.150958	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+K"	38.963158
"305117"	224.173017	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700827"	326.266917	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1455741"	122.079117	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"244347"	450.409426	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1212682"	246.221626	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1197291"	123.614451	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"192716"	453.34676	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"635559"	657.53456	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1136876"	249.15896	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"175794"	227.177018	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624473"	329.270918	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1127979"	125.083118	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1409317"	83.724504	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1440703"	251.200546	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230398"	232.21004	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1517729"	265.25259	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"419602"	235.163988	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"775129"	337.257888	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1666477"	133.070088	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"255793"	472.391368	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226313"	268.203568	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1713379"	268.227093	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1183840"	91.051818	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661388"	273.182488	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166062"	485.29464	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"600153"	689.48244	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1097793"	281.10684	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154853"	243.150958	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"594540"	345.244858	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1075410"	141.057058	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1109712"	283.121392	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1345003"	283.209007	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1015719"	287.248176	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1533844"	288.241808	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"999198"	144.127726	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1599168"	289.156428	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425921"	319.187938	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1159490"	164.641001	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1710134"	336.214485	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1647971"	341.16988	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1579247"	357.14382	"C20179"	"gamma-Curcumene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"812892"	204.1878	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M"	0
"983145"	185.16941	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"72481"	135.117924	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"517508"	203.180524	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"887656"	67.055324	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"11698"	203.180524	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454175"	305.274424	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"818494"	101.086624	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"79334"	407.368324	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"521322"	611.556124	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"898046"	203.180524	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"48041"	424.394871	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"495991"	628.582671	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"868327"	220.207071	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"33189"	429.350266	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"480161"	633.538066	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"851402"	225.162466	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1623122"	225.162466	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"102931"	221.168863	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"541396"	323.262763	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"933815"	119.074963	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"273469"	443.345002	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"675426"	647.532802	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1288318"	239.157202	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"31243"	445.324206	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"471321"	649.512006	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847332"	241.136406	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1568265"	241.136406	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"957245"	249.185994	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"375463"	453.373801	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357157"	467.389451	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1502704"	263.201651	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972797"	271.167951	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123168"	239.157202	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"555798"	341.251102	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1031892"	137.063302	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253666"	283.106685	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1319033"	285.162672	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334340"	307.144629	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"925031"	317.173386	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1299185"	353.150064	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1376255"	169.175124	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1390470"	187.1851	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291252"	409.382876	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"684767"	613.570676	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360021"	205.195076	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H"	1.007276
"136918"	205.195076	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571378"	307.288976	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1043456"	103.101176	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206618"	137.132476	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"654207"	205.195076	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1169050"	69.069876	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"437431"	426.409423	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"797699"	630.597223	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1692934"	222.221623	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340117"	213.7083495	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"730352"	315.8022495	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1480895"	111.6144495	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396293"	431.364818	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"759475"	635.552618	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1608669"	227.177018	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"317613"	216.186047	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708692"	318.279947	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1466035"	114.092147	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1054545"	76.39719	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258776"	237.221286	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"380633"	447.338758	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"742720"	651.526558	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1544771"	243.150958	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300856"	224.173017	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700937"	326.266917	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1459131"	122.079117	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"245553"	450.409426	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1218262"	246.221626	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1203238"	123.614451	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"195013"	453.34676	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"634576"	657.53456	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1141360"	249.15896	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"176997"	227.177018	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624949"	329.270918	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1126630"	125.083118	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412831"	83.724504	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1443000"	251.200546	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"233789"	232.21004	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1521850"	265.25259	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"417526"	235.163988	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"776333"	337.257888	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1668288"	133.070088	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"256996"	472.391368	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1227880"	268.203568	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1713853"	268.227093	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1183950"	91.051818	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661498"	273.182488	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166172"	485.29464	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601356"	689.48244	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1098389"	281.10684	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154356"	243.150958	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"593185"	345.244858	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1080259"	141.057058	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111647"	283.121392	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1348032"	283.209007	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017654"	287.248176	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1535048"	288.241808	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"998214"	144.127726	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598184"	289.156428	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1428218"	319.187938	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1158505"	164.641001	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1708056"	336.214485	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1643707"	341.16988	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1579357"	357.14382	"C20180"	"(-)-alpha-Cuprenene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"806445"	222.1984	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M"	0
"982164"	203.18001	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"68218"	147.124990666667	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"504496"	221.191124	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"880842"	73.0588573333333	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"3061"	221.191124	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"445901"	332.290324	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"817547"	110.091924	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"83335"	443.389524	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"520344"	665.587924	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"898521"	221.191124	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"53261"	460.416071	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"490635"	682.614471	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"871717"	238.217671	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"38525"	465.371466	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"479179"	687.569866	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"854792"	243.173066	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1632714"	243.173066	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"103044"	239.179463	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"546249"	350.278663	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"937211"	128.080263	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"274673"	479.366202	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"675658"	701.564602	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1288398"	257.167802	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"31302"	481.345406	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"471372"	703.543806	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"847807"	259.147006	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1569837"	259.147006	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"956261"	267.196594	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"375572"	489.395001	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"357268"	503.410651	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1501722"	281.212251	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"965982"	289.178551	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"117074"	257.167802	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"557730"	368.267002	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1035659"	146.068602	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1254142"	301.117285	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1319143"	303.173272	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1335423"	325.155229	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"924774"	335.183986	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1300756"	371.160664	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1374179"	187.185724	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1393497"	205.1957	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"291362"	445.404076	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"688157"	667.602476	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1362318"	223.205676	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"135936"	223.205676	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"570395"	334.304876	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1039071"	112.106476	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"206485"	149.139542666667	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"645683"	223.205676	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1171347"	75.0734093333333	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"436808"	462.430623	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"793433"	684.629023	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1689764"	240.232223	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"336947"	231.7189495	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"730462"	342.8181495	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1481733"	120.6197495	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"394215"	467.386018	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"755208"	689.584418	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1609872"	245.187618	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"319909"	234.196647	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"708318"	345.295847	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1462378"	123.097447	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1053924"	82.4007233333333	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1257791"	255.231886	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"378187"	483.359958	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"742830"	705.558358	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1544882"	261.161558	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"300601"	242.183617	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"702148"	353.282817	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1453780"	131.084417	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"247488"	486.430626	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1219465"	264.232226	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1203349"	132.619751	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"202053"	489.36796	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"640154"	711.56636	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1139284"	267.16956	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"177835"	245.187618	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"624695"	356.286818	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1126740"	134.088418	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1410630"	89.7280373333333	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1445529"	269.211146	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"233535"	250.22064	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1519041"	283.26319	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"417636"	253.174588	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"780817"	364.273788	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1669493"	142.075388	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"259293"	508.412568	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1228719"	286.214168	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1713598"	286.237693	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1187340"	97.0553513333333	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1661608"	291.193088	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"167375"	521.31584	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"602559"	743.51424	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1098741"	299.11744	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"150455"	261.161558	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"591107"	372.260758	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1080005"	150.062358	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1113214"	301.131992	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1349235"	301.219607	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1017398"	305.258776	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1534064"	306.252408	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"999418"	153.133026	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1599388"	307.167028	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1429626"	337.198538	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1159345"	173.646301	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1705980"	354.225085	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1644910"	359.18048	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1579467"	375.15442	"C20181"	"Avermitilol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"803271"	204.1878	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M"	0
"980087"	185.16941	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66141"	135.117924	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"505700"	203.180524	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"882409"	67.055324	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"5356"	203.180524	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"446011"	305.274424	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"817249"	101.086624	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"83081"	407.368324	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"520454"	611.556124	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"895826"	203.180524	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"50089"	424.394871	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"492931"	628.582671	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"871827"	220.207071	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"37542"	429.350266	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"479289"	633.538066	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"858182"	225.162466	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1633514"	225.162466	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104247"	221.168863	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"546359"	323.262763	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"936957"	119.074963	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"275876"	443.345002	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"675360"	647.532802	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1288296"	239.157202	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"30804"	445.324206	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"471134"	649.512006	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"844271"	241.136406	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1568854"	241.136406	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"956007"	249.185994	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"373494"	453.373801	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353004"	467.389451	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1496003"	263.201651	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"968283"	271.167951	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"117189"	239.157202	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"558933"	341.251102	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1035036"	137.063302	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1253156"	283.106685	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318522"	285.162672	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331640"	307.144629	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"923791"	317.173386	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1301230"	353.150064	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1372101"	169.175124	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1396160"	187.1851	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"294754"	409.382876	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"687175"	613.570676	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1361336"	205.195076	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H"	1.007276
"136412"	205.195076	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573785"	307.288976	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039669"	103.101176	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"206473"	137.132476	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"644944"	205.195076	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1171457"	69.069876	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"436918"	426.409423	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"793543"	630.597223	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1689873"	222.221623	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"337057"	213.7083495	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"728384"	315.8022495	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1479289"	111.6144495	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"393594"	431.364818	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"754953"	635.552618	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1607795"	227.177018	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"318925"	216.186047	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708427"	318.279947	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463706"	114.092147	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053021"	76.39719	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257290"	237.221286	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"378293"	447.338758	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"741481"	651.526558	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1542441"	243.150958	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299981"	224.173017	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"702258"	326.266917	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1452797"	122.079117	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"247598"	450.409426	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1218482"	246.221626	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1206739"	123.614451	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"193050"	453.34676	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"640264"	657.53456	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1139395"	249.15896	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"178309"	227.177018	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"624805"	329.270918	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1126850"	125.083118	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412563"	83.724504	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1445589"	251.200546	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"234009"	232.21004	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1518058"	265.25259	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"419933"	235.163988	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"780563"	337.257888	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1672883"	133.070088	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"259403"	472.391368	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1229193"	268.203568	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1713344"	268.227093	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187450"	91.051818	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661718"	273.182488	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"166392"	485.29464	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"602669"	689.48244	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1098730"	281.10684	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"147285"	243.150958	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"593404"	345.244858	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1081210"	141.057058	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1111868"	283.121392	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349709"	283.209007	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1017508"	287.248176	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1534175"	288.241808	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1002808"	144.127726	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1598404"	289.156428	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1425156"	319.187938	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1157632"	164.641001	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1706088"	336.214485	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1643926"	341.16988	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1579577"	357.14382	"C20182"	"(-)-delta-Cadinene;(1R8aS)-47-Dimethyl-1-(propan-2-yl)-123568a-hexahydronaphthalene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"803381"	458.0478	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M"	0
"980197"	439.02941	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-H2O-H"	-19.01839
"66252"	304.357924	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M-3H"	-3.021828
"503624"	457.040524	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M-3H"	-3.021828
"887986"	151.675324	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-3H"	-3.021828
"4373"	457.040524	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M-2H"	-2.014552
"443931"	686.064424	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M-2H"	-2.014552
"817847"	228.016624	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-2H"	-2.014552
"83920"	915.088324	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M-H"	-1.007276
"522387"	1373.136124	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M-H"	-1.007276
"898013"	457.040524	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-H"	-1.007276
"50201"	932.114871	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M-2H+NH4"	16.019271
"487816"	1390.162671	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M-2H+NH4"	16.019271
"869750"	474.067071	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-2H+NH4"	16.019271
"43851"	937.070266	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M-2H+Na"	20.974666
"483045"	1395.118066	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M-2H+Na"	20.974666
"858295"	479.022466	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-2H+Na"	20.974666
"1632207"	479.022466	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Na-2H"	20.974666
"108005"	475.028863	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M-H+Cl"	33.962126
"549027"	704.052763	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M-H+Cl"	33.962126
"941446"	246.004963	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-H+Cl"	33.962126
"277810"	951.065002	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+Cl"	34.969402
"674131"	1409.112802	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+Cl"	34.969402
"1287019"	493.017202	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Cl"	34.969402
"28846"	953.044206	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M-2H+K"	36.948606
"469498"	1411.092006	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M-2H+K"	36.948606
"847665"	494.996406	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-2H+K"	36.948606
"1567142"	494.996406	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+K-2H"	36.948606
"956483"	503.045994	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-H+HCOOH"	44.998194
"367045"	961.093801	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+HCOOH-H"	44.998201
"349834"	975.109451	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+Hac-H"	59.013851
"1498665"	517.061651	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Hac-H"	59.013851
"966936"	525.027951	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-H+NaCOOH"	66.980151
"118393"	493.017202	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+2Cl"	69.938804
"557950"	722.041102	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+2Cl"	69.938804
"1035877"	263.993302	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2Cl"	69.938804
"1251807"	536.966685	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Br"	78.918885
"1315349"	539.022672	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Cl+HCOOH"	80.974872
"1326285"	561.004629	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Cl+NaCOOH"	102.956829
"926090"	571.033386	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M-H+CF3COOH"	112.985586
"1300613"	607.010064	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Cl+CF3COOH"	148.962264
"1380596"	423.035124	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H-2H2O"	-35.012676
"1397363"	441.0451	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H-H2O"	-17.0027
"298022"	917.102876	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+H"	1.007276
"687285"	1375.150676	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+H"	1.007276
"1365457"	459.055076	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H"	1.007276
"132148"	459.055076	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+2H"	2.014552
"576084"	688.078976	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+2H"	2.014552
"1040509"	230.031176	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2H"	2.014552
"211692"	306.372476	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+3H"	3.021828
"650157"	459.055076	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+3H"	3.021828
"1172660"	153.689876	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+3H"	3.021828
"435935"	934.129423	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+NH4"	18.033823
"792560"	1392.177223	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+NH4"	18.033823
"1689983"	476.081623	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+NH4"	18.033823
"337167"	467.5683495	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+H+NH4"	19.041099
"730681"	696.5922495	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+H+NH4"	19.041099
"1480128"	238.5444495	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H+NH4"	19.041099
"394432"	939.084818	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+Na"	22.989218
"755427"	1397.132618	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+Na"	22.989218
"1607905"	481.037018	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Na"	22.989218
"319035"	470.046047	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+H+Na"	23.996494
"708172"	699.069947	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+H+Na"	23.996494
"1462356"	241.022147	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H+Na"	23.996494
"1053050"	161.01719	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2H+Na"	25.00377
"1257644"	491.081286	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+CH3OH+H"	33.033486
"377796"	955.058758	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+K"	38.963158
"741227"	1413.106558	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+K"	38.963158
"1541822"	497.010958	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+K"	38.963158
"303372"	478.033017	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+H+K"	39.970434
"702368"	707.056917	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+H+K"	39.970434
"1452907"	249.009117	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H+K"	39.970434
"246979"	958.129426	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+ACN+H"	42.033826
"1218592"	500.081626	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+ACN+H"	42.033826
"1206485"	250.544451	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+ACN+2H"	43.041102
"193160"	961.06676	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+2Na-H"	44.97116
"638917"	1419.11456	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+2Na-H"	44.97116
"1137318"	503.01896	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2Na-H"	44.97116
"177326"	481.037018	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+2Na"	45.978436
"626737"	710.060918	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+2Na"	45.978436
"1126960"	252.013118	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2Na"	45.978436
"1412673"	168.344504	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H+2Na"	46.985712
"1445398"	505.060546	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H+HCOOH"	47.012746
"233026"	486.07004	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+3H2O+2H"	56.04448
"1518168"	519.11259	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+IsoProp+H"	61.06479
"420043"	489.023988	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+Na+K"	61.952376
"782130"	718.047888	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+Na+K"	61.952376
"1670806"	260.000088	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Na+K"	61.952376
"257326"	980.111368	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+ACN+Na"	64.015768
"1228939"	522.063568	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+ACN+Na"	64.015768
"1715641"	522.087093	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+NH4+HCOOH"	64.039293
"1184278"	175.671818	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+3Na"	68.967654
"1660735"	527.042488	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Na+HCOOH"	68.994688
"162491"	993.01464	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+2K-H"	76.91904
"601686"	1451.06244	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+2K-H"	76.91904
"1097139"	534.96684	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2K-H"	76.91904
"155413"	497.010958	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"2M+2K"	77.926316
"592421"	726.034858	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"3M+2K"	77.926316
"1075851"	267.987058	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2K"	77.926316
"1111976"	536.981392	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2K+H"	78.933592
"1343257"	537.069007	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+DMSO+H"	79.021207
"1013973"	541.108176	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2ACN+H"	83.060376
"1533192"	542.101808	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+IsoProp+Na+H"	84.054008
"998545"	271.057726	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+2ACN+2H"	84.067652
"1599609"	543.016428	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+K+HCOOH"	84.968628
"1427455"	573.047938	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+H+CF3COOH"	115.000138
"1156649"	291.571001	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+3ACN+2H"	125.094202
"1705106"	590.074485	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+NH4+CF3COOH"	132.026685
"1640756"	595.02988	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+Na+CF3COOH"	136.98208
"1579687"	611.00382	"C20183"	"N7-Methylguanosine 5-diphosphate;N7-Methyl-GDP"	"C11H18N5O11P2"	"458.0478"	"M+K+CF3COOH"	152.95602
"803855"	222.1984	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M"	0
"980304"	203.18001	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"66361"	147.124990666667	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"504098"	221.191124	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"888096"	73.0588573333333	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"4483"	221.191124	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"446227"	332.290324	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"818930"	110.091924	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"81114"	443.389524	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"520061"	665.587924	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"902496"	221.191124	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"54684"	460.416071	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"492057"	682.614471	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"874233"	238.217671	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"42134"	465.371466	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"484613"	687.569866	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"859134"	243.173066	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1633901"	243.173066	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"109214"	239.179463	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"549014"	350.278663	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"942044"	128.080263	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"282426"	479.366202	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"674973"	701.564602	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1288349"	257.167802	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"30905"	481.345406	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"469490"	703.543806	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"847172"	259.147006	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1570168"	259.147006	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"955865"	267.196594	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"372624"	489.395001	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"354685"	503.410651	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1504975"	281.212251	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"971422"	289.178551	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"117410"	257.167802	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"556967"	368.267002	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1036880"	146.068602	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1248639"	301.117285	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1317648"	303.173272	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1334294"	325.155229	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"926202"	335.183986	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1303399"	371.160664	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1382674"	187.185724	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1396262"	205.1957	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"297043"	445.404076	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"688490"	667.602476	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1358278"	223.205676	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"137727"	223.205676	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"571818"	334.304876	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1046088"	112.106476	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"210707"	149.139542666667	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"650266"	223.205676	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1171676"	75.0734093333333	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"437141"	462.430623	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"794857"	684.629023	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1687908"	240.232223	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"339465"	231.7189495	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"725324"	342.8181495	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1478415"	120.6197495	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"393690"	467.386018	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"756632"	689.584418	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1606924"	245.187618	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"319146"	234.196647	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"710473"	345.295847	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1466481"	123.097447	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1055350"	82.4007233333333	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1258487"	255.231886	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"379246"	483.359958	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"740242"	705.558358	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1545213"	261.161558	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"304575"	242.183617	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"702477"	353.282817	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1456293"	131.084417	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"249277"	486.430626	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1218702"	264.232226	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1205502"	132.619751	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"193270"	489.36796	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"640485"	711.56636	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1141802"	267.16956	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"180718"	245.187618	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"620280"	356.286818	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1128164"	134.088418	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1413515"	89.7280373333333	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1444781"	269.211146	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"234958"	250.22064	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1514998"	283.26319	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"416873"	253.174588	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"782240"	364.273788	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1669094"	142.075388	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"258530"	508.412568	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1230143"	286.214168	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1715022"	286.237693	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1183295"	97.0553513333333	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1660843"	291.193088	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"163330"	521.31584	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"601796"	743.51424	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1096887"	299.11744	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"147505"	261.161558	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"592531"	372.260758	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1083378"	150.062358	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1112818"	301.131992	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1348108"	301.219607	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1017365"	305.258776	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1535491"	306.252408	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1001574"	153.133026	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1602274"	307.167028	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1429151"	337.198538	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1160040"	173.646301	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1707404"	354.225085	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1644147"	359.18048	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1579797"	375.15442	"C20184"	"()-T-Muurolol;()-tau-Muurolol;(1R4R4aS8aR)-16-Dimethyl-4-(propan-2-yl)-12344a788a-octahydronaphthalen-1-ol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"803601"	272.2504	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M"	0
"980414"	253.23201	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"69749"	180.492990666667	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"508218"	271.243124	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"889300"	89.7428573333333	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"4593"	271.243124	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"445244"	407.368324	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"817702"	135.117924	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"78990"	543.493524	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"519567"	815.743924	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"897122"	271.243124	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"50412"	560.520071	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"487540"	832.770471	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"874343"	288.269671	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"41151"	565.475466	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"481803"	837.725866	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"858511"	293.225066	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1629142"	293.225066	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"109324"	289.231463	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"549252"	425.356663	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"942277"	153.106263	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"282051"	579.470202	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"674113"	851.720602	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1287366"	307.219802	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"30167"	581.449406	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"470085"	853.699806	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"848008"	309.199006	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1569915"	309.199006	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"957066"	317.248594	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"373098"	589.499001	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"355159"	603.514651	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1505449"	331.264251	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"971532"	339.230551	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"117520"	307.219802	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"555984"	443.345002	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1036586"	171.094602	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1248749"	351.169285	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1318487"	353.225272	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1334525"	375.207229	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"926595"	385.235986	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1303876"	421.212664	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1382715"	237.237724	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1395395"	255.2477	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"289614"	545.508076	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"688600"	817.758476	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1362762"	273.257676	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H"	1.007276
"140024"	273.257676	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"569741"	409.382876	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1046198"	137.132476	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"209724"	182.507542666667	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"647097"	273.257676	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1171786"	91.7574093333333	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"434700"	562.534623	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"796060"	834.785023	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1693484"	290.284223	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"337390"	281.7709495	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"725434"	417.8961495	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1477794"	145.6457495	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"393677"	567.490018	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"755040"	839.740418	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1605569"	295.239618	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"315970"	284.248647	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"709123"	420.373847	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1464398"	148.123447	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1054727"	99.0847233333333	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1261877"	305.283886	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"382639"	583.463958	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"739988"	855.714358	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1545322"	311.213558	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+K"	38.963158
"304685"	292.235617	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"702587"	428.360817	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1454216"	156.110417	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"248294"	586.534626	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1218812"	314.284226	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1202696"	157.645751	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"196660"	589.47196	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"635127"	861.72236	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1141912"	317.22156	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"180097"	295.239618	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"620024"	431.364818	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1130340"	159.114418	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1413141"	106.412037333333	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1445299"	319.263146	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"235069"	300.27264	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1515108"	333.31519	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"423179"	303.226588	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"782350"	439.351788	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1669204"	167.101388	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"258640"	608.516568	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1229159"	336.266168	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1716591"	336.289693	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1185592"	113.739351333333	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1662047"	341.245088	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"164534"	621.41984	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"603000"	893.67024	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1097728"	349.16944	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"153813"	311.213558	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"594829"	447.338758	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1082151"	175.088358	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1113291"	351.183992	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1347124"	351.271607	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1016747"	355.310776	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1535965"	356.304408	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1002048"	178.159026	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1600562"	357.219028	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1428775"	387.250538	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1160150"	198.672301	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1707514"	404.277085	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1644257"	409.23248	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1579907"	425.20642	"C20185"	"(12E)-9alpha-Labda-8(17)1214-triene;syn-Labda-8(17)12E14-triene;(4aS5R8aS)-114a-Trimethyl-6-methylidene-5-(2E)-3-methylpenta-24-dien-1-yldecahydronaphthalene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"806991"	312.2301	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M"	0
"980524"	293.21171	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"72046"	207.146124	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"510515"	311.222824	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"890503"	103.069424	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"5796"	311.222824	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"444261"	467.337874	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"817691"	155.107774	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"78898"	623.452924	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"518945"	935.683024	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"897352"	311.222824	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"48700"	640.479471	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"487138"	952.709571	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"875547"	328.249371	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"43448"	645.434866	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"484101"	957.664966	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"854246"	333.204766	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1632168"	333.204766	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"109401"	329.211163	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"549846"	485.326213	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"942264"	173.096113	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"282526"	659.429602	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"675078"	971.659702	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1287965"	347.199502	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"31006"	661.408806	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"471012"	973.638906	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"847630"	349.178706	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1571177"	349.178706	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"956083"	357.228294	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"376490"	669.458401	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"361215"	683.474051	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1507626"	371.243951	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"969820"	379.210251	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"115444"	347.199502	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"554273"	503.314552	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1036693"	191.084452	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1252869"	391.148985	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1318598"	393.204972	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1335122"	415.186929	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"925692"	425.215686	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1303133"	461.192364	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1381901"	277.217424	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1395506"	295.2274	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"290817"	625.467476	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"690170"	937.697576	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1360683"	313.237376	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"133574"	313.237376	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"570945"	469.352426	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1039748"	157.122326	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"208012"	209.160676	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"645020"	313.237376	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1170803"	105.083976	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"435175"	642.494023	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"799449"	954.724123	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1694322"	330.263923	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"339687"	321.7506495	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"729190"	477.8656995	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1479728"	165.6355995	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"393344"	647.449418	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"757948"	959.679518	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1607504"	335.219318	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"316079"	324.228347	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"709597"	480.343397	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1464509"	168.113297	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1054842"	112.41129	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1261259"	345.263586	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"383479"	663.423358	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"742287"	975.653458	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1543245"	351.193258	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"303702"	332.215317	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"704882"	488.330367	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1454326"	176.100267	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"248402"	666.494026	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1218922"	354.263926	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1202806"	177.635601	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"194216"	669.43136	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"636331"	981.66146	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1139834"	357.20126	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"180935"	335.219318	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"618310"	491.334368	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1127290"	179.104268	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1411541"	119.738604	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1444755"	359.242846	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"235176"	340.25234	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1518498"	373.29489	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"416000"	343.206288	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"779180"	499.321338	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1671136"	187.091238	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"257656"	688.475968	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1229269"	376.245868	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1716337"	376.269393	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1184973"	127.065918	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1662157"	381.224788	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"163915"	701.37924	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"603110"	1013.60934	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1098447"	389.14914	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"154902"	351.193258	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"595670"	507.308308	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1082745"	195.078208	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1114494"	391.163692	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1349787"	391.251307	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1017583"	395.290476	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1538262"	396.284108	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"1003617"	198.148876	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1602375"	397.198728	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1429709"	427.230238	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1161598"	218.662151	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1708717"	444.256785	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1644367"	449.21218	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1580017"	465.18612	"C20186"	"5S8R-DiHODE;(5S8R)-DiHODE;(5S8R9Z12Z)-58-Dihydroxyoctadeca-912-dienoate"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"804914"	426.3862	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M"	0
"983914"	407.36781	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"68876"	283.250190666667	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510627"	425.378924	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"889520"	141.121457333333	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"9186"	425.378924	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"445465"	638.572024	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"817476"	212.185824	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"78840"	851.765124	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"518768"	1278.151324	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"900623"	425.378924	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"50633"	868.791671	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"488613"	1295.177871	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"872377"	442.405471	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"36996"	873.747066	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"484211"	1300.133266	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"853263"	447.360866	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1629362"	447.360866	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"109629"	443.367263	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549220"	656.560363	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"942370"	230.174163	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"282756"	887.741802	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"675383"	1314.128002	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287584"	461.355602	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"31252"	889.721006	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"471161"	1316.107206	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847740"	463.334806	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1569768"	463.334806	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"955826"	471.384394	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"377025"	897.770601	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"360483"	911.786251	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1507736"	485.400051	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"969201"	493.366351	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"115554"	461.355602	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"553289"	674.548702	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1037039"	248.162502	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1252249"	505.305085	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1318708"	507.361072	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1335237"	529.343029	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"925802"	539.371786	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1303121"	575.348464	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1381037"	391.373524	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1391241"	409.3835	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"289834"	853.779676	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"690765"	1280.165876	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1361886"	427.393476	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H"	1.007276
"135871"	427.393476	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"569962"	640.586576	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1040222"	214.200376	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"209215"	285.264742666667	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"645494"	427.393476	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1168723"	143.136009333333	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"435285"	870.806223	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"797373"	1297.192423	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1694796"	444.420023	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"339795"	435.9067495	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"729300"	649.0998495	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1484577"	222.7136495	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"398518"	875.761618	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"764616"	1302.147818	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1607250"	449.375418	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"316188"	438.384447	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"708610"	651.577547	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1466444"	225.191347	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1054585"	150.463323333333	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1258089"	459.419686	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"382494"	891.735558	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"741665"	1318.121758	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1543354"	465.349358	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+K"	38.963158
"299438"	446.371417	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"704992"	659.564517	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1454436"	233.178317	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"248511"	894.806226	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1219032"	468.420026	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1201821"	234.713651	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"192870"	897.74356	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"637534"	1324.12976	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1139944"	471.35736	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"178129"	449.375418	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"617328"	662.568518	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1130319"	236.182318	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1411651"	157.790637333333	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1444866"	473.398946	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"235048"	454.40844	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1519701"	487.45099	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"418296"	457.362388	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"778197"	670.555488	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1672339"	244.169288	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"256671"	916.788168	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1225687"	490.401968	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1718270"	490.425493	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1183990"	165.117951333333	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1662267"	495.380888	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"164025"	929.69144	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"602127"	1356.07764	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1098557"	503.30524	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"154768"	465.349358	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"595780"	678.542458	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1082855"	252.156258	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1113147"	505.319792	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1348801"	505.407407	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1017693"	509.446576	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1538736"	510.440208	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"997893"	255.226926	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1601144"	511.354828	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1428990"	541.386338	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1159276"	275.740201	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1707733"	558.412885	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1644477"	563.36828	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1580127"	579.34222	"C20187"	"Achilleol B"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"805024"	426.3862	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M"	0
"978557"	407.36781	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"66799"	283.250190666667	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"511829"	425.378924	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"887443"	141.121457333333	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"7109"	425.378924	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"444480"	638.572024	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"819005"	212.185824	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"78915"	851.765124	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"519766"	1278.151324	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"898546"	425.378924	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"50743"	868.791671	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"488481"	1295.177871	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"870300"	442.405471	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"34919"	873.747066	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"481041"	1300.133266	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"854466"	447.360866	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627285"	447.360866	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"109285"	443.367263	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"546656"	656.560363	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"940170"	230.174163	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"281890"	887.741802	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"675595"	1314.128002	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287898"	461.355602	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30775"	889.721006	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"470416"	1316.107206	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847122"	463.334806	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1568785"	463.334806	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"956665"	471.384394	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"374888"	897.770601	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"358407"	911.786251	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1503592"	485.400051	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"971134"	493.366351	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"115664"	461.355602	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"555222"	674.548702	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1033506"	248.162502	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1249079"	505.305085	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1317724"	507.361072	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1335562"	529.343029	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"925548"	539.371786	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1303355"	575.348464	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1381755"	391.373524	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1391351"	409.3835	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"289944"	853.779676	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"690753"	1280.165876	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1360903"	427.393476	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"135981"	427.393476	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"572259"	640.586576	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1040331"	214.200376	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"205190"	285.264742666667	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"646696"	427.393476	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1167740"	143.136009333333	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"435030"	870.806223	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"794202"	1297.192423	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1688344"	444.420023	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"338811"	435.9067495	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"732325"	649.0998495	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1486146"	222.7136495	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"401544"	875.761618	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"763632"	1302.147818	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1607360"	449.375418	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"315571"	438.384447	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"709815"	651.577547	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1466918"	225.191347	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1055425"	150.463323333333	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1261840"	459.419686	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"381509"	891.735558	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"742503"	1318.121758	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1542734"	465.349358	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"301004"	446.371417	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"699633"	659.564517	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1453453"	233.178317	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"247527"	894.806226	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1216955"	468.420026	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1199744"	234.713651	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"193708"	897.74356	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"637644"	1324.12976	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1138231"	471.35736	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"172979"	449.375418	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"619260"	662.568518	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1130550"	236.182318	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1405563"	157.790637333333	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1440960"	473.398946	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"227374"	454.40844	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1515434"	487.45099	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"419499"	457.362388	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"779400"	670.555488	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1672449"	244.169288	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"256781"	916.788168	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1225677"	490.401968	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1719473"	490.425493	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1184829"	165.117951333333	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1660191"	495.380888	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"164135"	929.69144	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"601143"	1356.07764	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1098424"	503.30524	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"152323"	465.349358	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"592243"	678.542458	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1083208"	252.156258	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1113985"	505.319792	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1349885"	505.407407	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1017803"	509.446576	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1538969"	510.440208	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"999096"	255.226926	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1601254"	511.354828	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1428007"	541.386338	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1159386"	275.740201	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1706750"	558.412885	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1644587"	563.36828	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1580237"	579.34222	"C20188"	"Glutinol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"804041"	426.3862	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M"	0
"987415"	407.36781	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"75657"	283.250190666667	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"513032"	425.378924	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"888646"	141.121457333333	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"7219"	425.378924	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"443498"	638.572024	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"825677"	212.185824	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"80206"	851.765124	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"524139"	1278.151324	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"896349"	425.378924	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"53040"	868.791671	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"488712"	1295.177871	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"871504"	442.405471	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"39403"	873.747066	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"481149"	1300.133266	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"853483"	447.360866	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627395"	447.360866	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"108788"	443.367263	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"544579"	656.560363	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"933718"	230.174163	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"282247"	887.741802	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"674183"	1314.128002	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1286956"	461.355602	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"29999"	889.721006	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"470156"	1316.107206	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847596"	463.334806	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1569988"	463.334806	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"956776"	471.384394	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"375727"	897.770601	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"358882"	911.786251	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1504430"	485.400051	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"969786"	493.366351	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119054"	461.355602	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"559707"	674.548702	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1033616"	248.162502	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1252469"	505.305085	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1319054"	507.361072	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1334236"	529.343029	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"923470"	539.371786	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1303095"	575.348464	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1380893"	391.373524	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1396930"	409.3835	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"297711"	853.779676	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"687945"	1280.165876	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1364295"	427.393476	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H"	1.007276
"138278"	427.393476	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"573463"	640.586576	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1046638"	214.200376	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"209071"	285.264742666667	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"646442"	427.393476	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1176598"	143.136009333333	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"437693"	870.806223	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"799781"	1297.192423	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1695018"	444.420023	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"342204"	435.9067495	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"733532"	649.0998495	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1488442"	222.7136495	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"404935"	875.761618	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"765930"	1302.147818	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1612937"	449.375418	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"317505"	438.384447	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"711020"	651.577547	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1475655"	225.191347	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1060274"	150.463323333333	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1266326"	459.419686	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"384902"	891.735558	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"743709"	1318.121758	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1544668"	465.349358	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+K"	38.963158
"301115"	446.371417	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"700836"	659.564517	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1454656"	233.178317	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"247637"	894.806226	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1218158"	468.420026	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1199124"	234.713651	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"194911"	897.74356	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"636660"	1324.12976	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1133966"	471.35736	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"173972"	449.375418	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"618642"	662.568518	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1129932"	236.182318	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1405673"	157.790637333333	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1438519"	473.398946	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"226391"	454.40844	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1515544"	487.45099	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"414139"	457.362388	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"777323"	670.555488	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1672559"	244.169288	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"252517"	916.788168	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1227411"	490.401968	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1719583"	490.425493	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1184939"	165.117951333333	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1661394"	495.380888	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"157439"	929.69144	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"598333"	1356.07764	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1097434"	503.30524	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"155347"	465.349358	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"593081"	678.542458	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1082830"	252.156258	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1113726"	505.319792	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1350117"	505.407407	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1019006"	509.446576	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1537133"	510.440208	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"999206"	255.226926	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1602460"	511.354828	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1429704"	541.386338	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1160226"	275.740201	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1709047"	558.412885	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1644697"	563.36828	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1580347"	579.34222	"C20189"	"Baccharis oxide"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"810712"	995.9809	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M"	0
"984244"	976.96251	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-H2O-H"	-19.01839
"70299"	662.979990666667	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M-3H"	-3.021828
"513142"	994.973624	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M-3H"	-3.021828
"888756"	330.986357333333	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-3H"	-3.021828
"9516"	994.973624	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M-2H"	-2.014552
"445794"	1492.964074	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M-2H"	-2.014552
"825787"	496.983174	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-2H"	-2.014552
"86876"	1990.954524	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M-H"	-1.007276
"529716"	2986.935424	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M-H"	-1.007276
"902052"	994.973624	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-H"	-1.007276
"53150"	2007.981071	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M-2H+NH4"	16.019271
"491617"	3003.961971	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M-2H+NH4"	16.019271
"872707"	1012.000171	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-2H+NH4"	16.019271
"37326"	2012.936466	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M-2H+Na"	20.974666
"477979"	3008.917366	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M-2H+Na"	20.974666
"852499"	1016.955566	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-2H+Na"	20.974666
"1627505"	1016.955566	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Na-2H"	20.974666
"104033"	1012.961963	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M-H+Cl"	33.962126
"548832"	1510.952413	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M-H+Cl"	33.962126
"942094"	514.971513	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-H+Cl"	33.962126
"280784"	2026.931202	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+Cl"	34.969402
"674780"	3022.912102	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+Cl"	34.969402
"1287669"	1030.950302	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Cl"	34.969402
"30348"	2028.910406	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M-2H+K"	36.948606
"469904"	3024.891306	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M-2H+K"	36.948606
"845882"	1032.929506	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-2H+K"	36.948606
"1569736"	1032.929506	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+K-2H"	36.948606
"952878"	1040.979094	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-H+HCOOH"	44.998194
"373649"	2036.960001	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+HCOOH-H"	44.998201
"357169"	2050.975651	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+Hac-H"	59.013851
"1503810"	1054.994751	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Hac-H"	59.013851
"966979"	1062.961051	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-H+NaCOOH"	66.980151
"119165"	1030.950302	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+2Cl"	69.938804
"555444"	1528.940752	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+2Cl"	69.938804
"1033726"	532.959852	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2Cl"	69.938804
"1244925"	1074.899785	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Br"	78.918885
"1317943"	1076.955772	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Cl+HCOOH"	80.974872
"1332888"	1098.937729	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Cl+NaCOOH"	102.956829
"920299"	1108.966486	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M-H+CF3COOH"	112.985586
"1299196"	1144.943164	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Cl+CF3COOH"	148.962264
"1377357"	960.968224	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H-2H2O"	-35.012676
"1391571"	978.9782	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H-H2O"	-17.0027
"290164"	1992.969076	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+H"	1.007276
"684773"	2988.949976	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+H"	1.007276
"1361125"	996.988176	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H"	1.007276
"128544"	996.988176	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+2H"	2.014552
"568107"	1494.978626	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+2H"	2.014552
"1046749"	498.997726	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2H"	2.014552
"209181"	664.994542666667	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+3H"	3.021828
"646188"	996.988176	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+3H"	3.021828
"1173428"	333.000909333333	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+3H"	3.021828
"432701"	2009.995623	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+NH4"	18.033823
"797707"	3005.976523	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+NH4"	18.033823
"1695129"	1014.014723	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+NH4"	18.033823
"335389"	1005.5014495	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+H+NH4"	19.041099
"727446"	1503.4918995	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+H+NH4"	19.041099
"1486366"	507.5109995	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H+NH4"	19.041099
"403953"	2014.951018	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+Na"	22.989218
"767135"	3010.931918	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+Na"	22.989218
"1614868"	1018.970118	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Na"	22.989218
"323085"	1007.979147	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+H+Na"	23.996494
"719515"	1505.969597	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+H+Na"	23.996494
"1474429"	509.988697	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H+Na"	23.996494
"1057467"	340.328223333333	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2H+Na"	25.00377
"1263156"	1029.014386	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+CH3OH+H"	33.033486
"385011"	2030.924958	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+K"	38.963158
"744913"	3026.905858	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+K"	38.963158
"1544778"	1034.944058	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+K"	38.963158
"304142"	1015.966117	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+H+K"	39.970434
"699853"	1513.956567	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+H+K"	39.970434
"1453673"	517.975667	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H+K"	39.970434
"247383"	2033.995626	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+ACN+H"	42.033826
"1218268"	1038.014726	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+ACN+H"	42.033826
"1199234"	519.511001	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+ACN+2H"	43.041102
"193562"	2036.93296	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+2Na-H"	44.97116
"634584"	3032.91386	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+2Na-H"	44.97116
"1136992"	1040.95206	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2Na-H"	44.97116
"174083"	1018.970118	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+2Na"	45.978436
"618752"	1516.960568	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+2Na"	45.978436
"1130163"	520.979668	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2Na"	45.978436
"1405783"	347.655537333333	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H+2Na"	46.985712
"1438629"	1042.993646	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H+HCOOH"	47.012746
"226501"	1024.00314	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+3H2O+2H"	56.04448
"1518934"	1057.04569	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+IsoProp+H"	61.06479
"415342"	1026.957088	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+Na+K"	61.952376
"777432"	1524.947538	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+Na+K"	61.952376
"1675948"	528.966638	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Na+K"	61.952376
"253721"	2055.977568	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+ACN+Na"	64.015768
"1227521"	1059.996668	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+ACN+Na"	64.015768
"1719693"	1060.020193	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+NH4+HCOOH"	64.039293
"1183226"	354.982851333333	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+3Na"	68.967654
"1658587"	1064.975588	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Na+HCOOH"	68.994688
"159980"	2068.88084	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+2K-H"	76.91904
"602456"	3064.86174	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+2K-H"	76.91904
"1087334"	1072.89994	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2K-H"	76.91904
"148161"	1034.944058	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"2M+2K"	77.926316
"592097"	1532.934508	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"3M+2K"	77.926316
"1081724"	536.953608	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2K"	77.926316
"1108733"	1074.914492	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2K+H"	78.933592
"1349011"	1075.002107	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+DMSO+H"	79.021207
"1012556"	1079.041276	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2ACN+H"	83.060376
"1535056"	1080.034908	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+IsoProp+Na+H"	84.054008
"998221"	540.024276	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+2ACN+2H"	84.067652
"1597099"	1080.949528	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+K+HCOOH"	84.968628
"1427132"	1110.981038	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+H+CF3COOH"	115.000138
"1158514"	560.537551	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+3ACN+2H"	125.094202
"1706970"	1128.007585	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+NH4+CF3COOH"	132.026685
"1645900"	1132.96298	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+Na+CF3COOH"	136.98208
"1573897"	1148.93692	"C20190"	"P1P6-Bis(5-adenosyl)hexaphosphate"	"C20H30N10O25P6"	"995.9809"	"M+K+CF3COOH"	152.95602
"810822"	426.3862	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"986541"	407.36781	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"70409"	283.250190666667	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"514345"	425.378924	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"888866"	141.121457333333	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"11812"	425.378924	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"441530"	638.572024	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"820430"	212.185824	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"83705"	851.765124	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"526544"	1278.151324	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"902161"	425.378924	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"56540"	868.791671	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"491727"	1295.177871	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"871724"	442.405471	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"38529"	873.747066	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"478089"	1300.133266	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"852609"	447.360866	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1627614"	447.360866	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"103049"	443.367263	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549591"	656.560363	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"941353"	230.174163	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"282229"	887.741802	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"674521"	1314.128002	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1288269"	461.355602	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30457"	889.721006	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"470014"	1316.107206	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"846357"	463.334806	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1569483"	463.334806	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"955174"	471.384394	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"374487"	897.770601	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"353998"	911.786251	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1503920"	485.400051	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"968182"	493.366351	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"118180"	461.355602	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"554461"	674.548702	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1030920"	248.162502	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1242847"	505.305085	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1312950"	507.361072	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1332632"	529.343029	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"918222"	539.371786	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1299305"	575.348464	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1378560"	391.373524	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1391681"	409.3835	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"290274"	853.779676	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"682696"	1280.165876	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1362328"	427.393476	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"128654"	427.393476	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"569310"	640.586576	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1045766"	214.200376	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"209291"	285.264742666667	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"646298"	427.393476	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1166977"	143.136009333333	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"436821"	870.806223	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"799640"	1297.192423	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1695604"	444.420023	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"336958"	435.9067495	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"730473"	649.0998495	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1487569"	222.7136495	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"405156"	875.761618	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"765058"	1302.147818	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1615342"	449.375418	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"326473"	438.384447	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"720721"	651.577547	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1475755"	225.191347	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1060493"	150.463323333333	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1265451"	459.419686	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"384028"	891.735558	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"747209"	1318.121758	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1545981"	465.349358	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"304253"	446.371417	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"701056"	659.564517	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1447221"	233.178317	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"248222"	894.806226	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1217285"	468.420026	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1201167"	234.713651	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"192944"	897.74356	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"635787"	1324.12976	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1134917"	471.35736	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"175407"	449.375418	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"618862"	662.568518	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1130758"	236.182318	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1406986"	157.790637333333	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1439832"	473.398946	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"228797"	454.40844	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1518680"	487.45099	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"416545"	457.362388	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"777542"	670.555488	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1674965"	244.169288	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"252248"	916.788168	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1227632"	490.401968	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1719802"	490.425493	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1185159"	165.117951333333	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1660520"	495.380888	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"160090"	929.69144	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"602566"	1356.07764	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1087444"	503.30524	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"151551"	465.349358	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"588927"	678.542458	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1081711"	252.156258	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1108843"	505.319792	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1346326"	505.407407	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1012665"	509.446576	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1535166"	510.440208	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"996145"	255.226926	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1598302"	511.354828	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1426878"	541.386338	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1158624"	275.740201	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1703799"	558.412885	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1642729"	563.36828	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1574007"	579.34222	"C20191"	"alpha-Seco-amyrin;814-Secoursa-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"804371"	426.3862	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M"	0
"984464"	407.36781	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"70519"	283.250190666667	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"512268"	425.378924	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"888976"	141.121457333333	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"11922"	425.378924	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"440071"	638.572024	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"823090"	212.185824	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"83815"	851.765124	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"527748"	1278.151324	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"907010"	425.378924	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"55557"	868.791671	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"490015"	1295.177871	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"869647"	442.405471	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"37546"	873.747066	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"479292"	1300.133266	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"854905"	447.360866	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1626631"	447.360866	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"103159"	443.367263	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549824"	656.560363	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"942760"	230.174163	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"282817"	887.741802	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"675573"	1314.128002	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1288452"	461.355602	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"31406"	889.721006	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"471059"	1316.107206	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847926"	463.334806	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1570686"	463.334806	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"954192"	471.384394	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"372411"	897.770601	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"357389"	911.786251	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1500753"	485.400051	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"968292"	493.366351	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119384"	461.355602	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"553478"	674.548702	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1036499"	248.162502	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1246240"	505.305085	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1309781"	507.361072	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1333472"	529.343029	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"925987"	539.371786	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1296134"	575.348464	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1380857"	391.373524	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1391791"	409.3835	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"288197"	853.779676	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"682806"	1280.165876	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1361345"	427.393476	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H"	1.007276
"129128"	427.393476	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"567594"	640.586576	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1048063"	214.200376	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"209765"	285.264742666667	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"646408"	427.393476	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1168180"	143.136009333333	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"438753"	870.806223	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"799749"	1297.192423	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1693163"	444.420023	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"340348"	435.9067495	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"733863"	649.0998495	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1488771"	222.7136495	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"404171"	875.761618	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"761886"	1302.147818	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1616547"	449.375418	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"326585"	438.384447	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"717915"	651.577547	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1469547"	225.191347	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1057687"	150.463323333333	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1263376"	459.419686	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"380856"	891.735558	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"744041"	1318.121758	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1544999"	465.349358	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+K"	38.963158
"304363"	446.371417	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"693871"	659.564517	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1447695"	233.178317	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"249063"	894.806226	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1217395"	468.420026	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1204559"	234.713651	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"193783"	897.74356	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"634803"	1324.12976	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1135390"	471.35736	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"174180"	449.375418	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"616056"	662.568518	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1131263"	236.182318	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1412201"	157.790637333333	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1439213"	473.398946	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"231825"	454.40844	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1516970"	487.45099	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"417386"	457.362388	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"778383"	670.555488	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1670703"	244.169288	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257223"	916.788168	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1229931"	490.401968	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1719914"	490.425493	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1185269"	165.117951333333	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1659538"	495.380888	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"166399"	929.69144	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"607782"	1356.07764	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1092658"	503.30524	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"152756"	465.349358	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"590132"	678.542458	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1081213"	252.156258	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1112235"	505.319792	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1348501"	505.407407	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1012775"	509.446576	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1538072"	510.440208	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"995163"	255.226926	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1599505"	511.354828	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1425164"	541.386338	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1158735"	275.740201	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1706095"	558.412885	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1646120"	563.36828	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1574117"	579.34222	"C20192"	"Marneral"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"804481"	426.3862	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"984574"	407.36781	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"71722"	283.250190666667	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510189"	425.378924	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"894193"	141.121457333333	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"9846"	425.378924	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"440249"	638.572024	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"823929"	212.185824	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"83925"	851.765124	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"524578"	1278.151324	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"902380"	425.378924	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"49106"	868.791671	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"487571"	1295.177871	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"869756"	442.405471	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"36562"	873.747066	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"477215"	1300.133266	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"851735"	447.360866	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1630021"	447.360866	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"103270"	443.367263	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"549282"	656.560363	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"942468"	230.174163	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"282650"	887.741802	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"675437"	1314.128002	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1288243"	461.355602	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"31044"	889.721006	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"470964"	1316.107206	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847308"	463.334806	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1570674"	463.334806	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"957224"	471.384394	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"372521"	897.770601	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"357499"	911.786251	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1501956"	485.400051	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"970224"	493.366351	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119494"	461.355602	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"555774"	674.548702	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1036244"	248.162502	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1246350"	505.305085	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1309891"	507.361072	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1332489"	529.343029	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"925733"	539.371786	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1296244"	575.348464	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1380967"	391.373524	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1391901"	409.3835	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"287214"	853.779676	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"681823"	1280.165876	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1361455"	427.393476	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"129967"	427.393476	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"568434"	640.586576	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1048173"	214.200376	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"210605"	285.264742666667	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"649071"	427.393476	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1168290"	143.136009333333	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"437036"	870.806223	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"794751"	1297.192423	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1693273"	444.420023	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"338271"	435.9067495	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"731786"	649.0998495	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1488881"	222.7136495	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"407320"	875.761618	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"764184"	1302.147818	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1614471"	449.375418	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"326334"	438.384447	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"716932"	651.577547	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1469657"	225.191347	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1056704"	150.463323333333	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1264579"	459.419686	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"380966"	891.735558	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"744151"	1318.121758	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1545113"	465.349358	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"304473"	446.371417	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"691671"	659.564517	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1447441"	233.178317	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"249537"	894.806226	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1217505"	468.420026	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1203576"	234.713651	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"196445"	897.74356	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"634913"	1324.12976	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1136231"	471.35736	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"173441"	449.375418	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"616895"	662.568518	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1131313"	236.182318	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1412311"	157.790637333333	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1439323"	473.398946	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"229019"	454.40844	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1515986"	487.45099	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"417860"	457.362388	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"777764"	670.555488	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1669720"	244.169288	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257333"	916.788168	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1228948"	490.401968	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720024"	490.425493	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1185379"	165.117951333333	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1659648"	495.380888	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"168332"	929.69144	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"602789"	1356.07764	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1091675"	503.30524	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"153232"	465.349358	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"591335"	678.542458	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1081323"	252.156258	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1114531"	505.319792	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1346545"	505.407407	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1009969"	509.446576	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1537573"	510.440208	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"995273"	255.226926	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1598522"	511.354828	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1425274"	541.386338	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1159572"	275.740201	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1707300"	558.412885	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1642949"	563.36828	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584068"	579.34222	"C20193"	"beta-Seco-amyrin;814-Secooleana-713-diene-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"805684"	426.3862	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M"	0
"983591"	407.36781	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"72925"	283.250190666667	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510299"	425.378924	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"895151"	141.121457333333	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"11049"	425.378924	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"440762"	638.572024	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"824040"	212.185824	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"84035"	851.765124	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"522500"	1278.151324	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"900303"	425.378924	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"49216"	868.791671	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"487925"	1295.177871	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"870230"	442.405471	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"41044"	873.747066	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"479510"	1300.133266	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"855124"	447.360866	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1630131"	447.360866	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"105565"	443.367263	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"548776"	656.560363	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"939738"	230.174163	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"280967"	887.741802	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"674979"	1314.128002	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287985"	461.355602	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30908"	889.721006	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"471157"	1316.107206	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847418"	463.334806	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1570176"	463.334806	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"958059"	471.384394	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"371539"	897.770601	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"355423"	911.786251	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1503158"	485.400051	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"973250"	493.366351	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119604"	461.355602	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"554424"	674.548702	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1025779"	248.162502	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1246460"	505.305085	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1312188"	507.361072	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1332963"	529.343029	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"925965"	539.371786	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1296354"	575.348464	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1381806"	391.373524	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1388731"	409.3835	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"287324"	853.779676	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"681933"	1280.165876	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1364844"	427.393476	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H"	1.007276
"130441"	427.393476	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"570001"	640.586576	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1049376"	214.200376	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"212901"	285.264742666667	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"651367"	427.393476	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1168400"	143.136009333333	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433866"	870.806223	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"797047"	1297.192423	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1694476"	444.420023	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"335101"	435.9067495	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"725700"	649.0998495	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1486809"	222.7136495	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"404392"	875.761618	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"764294"	1302.147818	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1613488"	449.375418	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"326443"	438.384447	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"717042"	651.577547	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1467579"	225.191347	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1059730"	150.463323333333	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1263595"	459.419686	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"381076"	891.735558	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"749727"	1318.121758	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1547409"	465.349358	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+K"	38.963158
"304583"	446.371417	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"693726"	659.564517	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1448644"	233.178317	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"248919"	894.806226	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1221623"	468.420026	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1202589"	234.713651	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"196555"	897.74356	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"631011"	1324.12976	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1136341"	471.35736	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"175618"	449.375418	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"615912"	662.568518	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1131052"	236.182318	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1412301"	157.790637333333	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1440526"	473.398946	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"230222"	454.40844	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1517189"	487.45099	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"419063"	457.362388	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"775686"	670.555488	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1669829"	244.169288	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257443"	916.788168	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1230151"	490.401968	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1717947"	490.425493	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1187675"	165.117951333333	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1657571"	495.380888	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"164433"	929.69144	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"602899"	1356.07764	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1093243"	503.30524	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"150792"	465.349358	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"590718"	678.542458	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1081434"	252.156258	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1113063"	505.319792	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1342277"	505.407407	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1012995"	509.446576	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1537683"	510.440208	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"995383"	255.226926	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1596445"	511.354828	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1425384"	541.386338	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1159318"	275.740201	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1708503"	558.412885	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1643059"	563.36828	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584178"	579.34222	"C20194"	"delta-Amyrin"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"804701"	426.3862	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M"	0
"984794"	407.36781	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"69755"	283.250190666667	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"510409"	425.378924	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"895450"	141.121457333333	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"6786"	425.378924	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"440264"	638.572024	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"821964"	212.185824	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"80865"	851.765124	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"519572"	1278.151324	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"899320"	425.378924	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"55886"	868.791671	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"488761"	1295.177871	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"866319"	442.405471	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"42247"	873.747066	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"478527"	1300.133266	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"855234"	447.360866	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1629148"	447.360866	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"106768"	443.367263	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"544145"	656.560363	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"934379"	230.174163	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"276213"	887.741802	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"673743"	1314.128002	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1287363"	461.355602	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"30165"	889.721006	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"470334"	1316.107206	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"847613"	463.334806	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1568825"	463.334806	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"956344"	471.384394	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"370557"	897.770601	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"356627"	911.786251	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1503268"	485.400051	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"972267"	493.366351	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"119349"	461.355602	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"553806"	674.548702	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1025889"	248.162502	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1246570"	505.305085	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1311204"	507.361072	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1330886"	529.343029	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"923039"	539.371786	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1293548"	575.348464	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1380094"	391.373524	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1388841"	409.3835	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"287434"	853.779676	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"677667"	1280.165876	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1362767"	427.393476	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"132374"	427.393476	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"570840"	640.586576	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1044015"	214.200376	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"213011"	285.264742666667	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"651477"	427.393476	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1167781"	143.136009333333	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433976"	870.806223	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"796064"	1297.192423	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1689118"	444.420023	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"336304"	435.9067495	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"730910"	649.0998495	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1484731"	222.7136495	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"402317"	875.761618	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"757840"	1302.147818	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1608130"	449.375418	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"322542"	438.384447	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"714964"	651.577547	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1465502"	225.191347	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1054372"	150.463323333333	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1258965"	459.419686	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"381185"	891.735558	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"742182"	1318.121758	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1541681"	465.349358	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"301412"	446.371417	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"693472"	659.564517	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1447050"	233.178317	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"249029"	894.806226	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1221369"	468.420026	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1203793"	234.713651	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"197758"	897.74356	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"632945"	1324.12976	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1135358"	471.35736	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"178646"	449.375418	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"618208"	662.568518	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1130715"	236.182318	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1412167"	157.790637333333	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1440636"	473.398946	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"230332"	454.40844	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1519486"	487.45099	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"420266"	457.362388	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"776890"	670.555488	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1669939"	244.169288	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"257553"	916.788168	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1230261"	490.401968	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1720243"	490.425493	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1187785"	165.117951333333	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1656590"	495.380888	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"166367"	929.69144	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"603009"	1356.07764	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1092988"	503.30524	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"151995"	465.349358	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"593015"	678.542458	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1081423"	252.156258	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1113294"	505.319792	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1345303"	505.407407	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1013105"	509.446576	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1535606"	510.440208	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"996586"	255.226926	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1599471"	511.354828	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1428046"	541.386338	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1160157"	275.740201	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1708613"	558.412885	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1643169"	563.36828	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584288"	579.34222	"C20195"	"Tirucalla-724-dien-3beta-ol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"805175"	432.1784	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M"	0
"987091"	413.16001	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-H2O-H"	-19.01839
"69865"	287.111657333333	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M-3H"	-3.021828
"510519"	431.171124	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M-3H"	-3.021828
"894885"	143.052190666667	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-3H"	-3.021828
"6896"	431.171124	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M-2H"	-2.014552
"440047"	647.260324	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M-2H"	-2.014552
"822074"	215.081924	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-2H"	-2.014552
"82068"	863.349524	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M-H"	-1.007276
"519197"	1295.527924	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M-H"	-1.007276
"898337"	431.171124	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-H"	-1.007276
"59277"	880.376071	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M-2H+NH4"	16.019271
"488267"	1312.554471	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M-2H+NH4"	16.019271
"866797"	448.197671	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-2H+NH4"	16.019271
"41265"	885.331466	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M-2H+Na"	20.974666
"478637"	1317.509866	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M-2H+Na"	20.974666
"855344"	453.153066	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-2H+Na"	20.974666
"1627070"	453.153066	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Na-2H"	20.974666
"106879"	449.159463	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M-H+Cl"	33.962126
"543161"	665.248663	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M-H+Cl"	33.962126
"936673"	233.070263	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-H+Cl"	33.962126
"278509"	899.326202	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+Cl"	34.969402
"672030"	1331.504602	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+Cl"	34.969402
"1285527"	467.147802	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Cl"	34.969402
"30959"	901.305406	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M-2H+K"	36.948606
"468737"	1333.483806	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M-2H+K"	36.948606
"847999"	469.127006	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-2H+K"	36.948606
"1568206"	469.127006	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+K-2H"	36.948606
"957183"	477.176594	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-H+HCOOH"	44.998194
"375039"	909.355001	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+HCOOH-H"	44.998201
"357827"	923.370651	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+Hac-H"	59.013851
"1504470"	491.192251	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Hac-H"	59.013851
"970917"	499.158551	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-H+NaCOOH"	66.980151
"113263"	467.147802	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+2Cl"	69.938804
"552821"	683.237002	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+2Cl"	69.938804
"1027090"	251.058602	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2Cl"	69.938804
"1246678"	511.097285	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Br"	78.918885
"1311313"	513.153272	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Cl+HCOOH"	80.974872
"1328809"	535.135229	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Cl+NaCOOH"	102.956829
"923875"	545.163986	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M-H+CF3COOH"	112.985586
"1294751"	581.140664	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Cl+CF3COOH"	148.962264
"1378017"	397.165724	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H-2H2O"	-35.012676
"1386764"	415.1757	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H-H2O"	-17.0027
"284626"	865.364076	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+H"	1.007276
"676356"	1297.542476	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+H"	1.007276
"1354127"	433.185676	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H"	1.007276
"126650"	433.185676	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+2H"	2.014552
"565761"	649.274876	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+2H"	2.014552
"1038289"	217.096476	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2H"	2.014552
"209839"	289.126209333333	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+3H"	3.021828
"647210"	433.185676	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+3H"	3.021828
"1168984"	145.066742666667	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+3H"	3.021828
"431898"	882.390623	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+NH4"	18.033823
"789246"	1314.569023	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+NH4"	18.033823
"1691412"	450.212223	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+NH4"	18.033823
"337505"	441.6989495	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+H+NH4"	19.041099
"732111"	657.7881495	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+H+NH4"	19.041099
"1484841"	225.6097495	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H+NH4"	19.041099
"403521"	887.346018	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+Na"	22.989218
"765608"	1319.524418	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+Na"	22.989218
"1610425"	455.167618	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Na"	22.989218
"323745"	444.176647	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+H+Na"	23.996494
"713981"	660.265847	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+H+Na"	23.996494
"1468891"	228.087447	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H+Na"	23.996494
"1054846"	152.394056666667	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2H+Na"	25.00377
"1259803"	465.211886	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+CH3OH+H"	33.033486
"380202"	903.319958	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+K"	38.963158
"740103"	1335.498358	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+K"	38.963158
"1541426"	471.141558	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+K"	38.963158
"300793"	452.163617	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+H+K"	39.970434
"695040"	668.252817	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+H+K"	39.970434
"1449224"	236.074417	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H+K"	39.970434
"248043"	906.390626	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+ACN+H"	42.033826
"1217833"	474.212226	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+ACN+H"	42.033826
"1202810"	237.609751	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+ACN+2H"	43.041102
"196775"	909.32796	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+2Na-H"	44.97116
"633419"	1341.50636	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+2Na-H"	44.97116
"1134735"	477.14956	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2Na-H"	44.97116
"179849"	455.167618	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+2Na"	45.978436
"616496"	671.256818	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+2Na"	45.978436
"1130093"	239.078418	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2Na"	45.978436
"1413370"	159.721370666667	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H+2Na"	46.985712
"1440746"	479.191146	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H+HCOOH"	47.012746
"230441"	460.20064	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+3H2O+2H"	56.04448
"1520688"	493.24319	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+IsoProp+H"	61.06479
"420376"	463.154588	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+Na+K"	61.952376
"780279"	679.243788	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+Na+K"	61.952376
"1670046"	247.065388	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Na+K"	61.952376
"256202"	928.372568	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+ACN+Na"	64.015768
"1230004"	496.194168	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+ACN+Na"	64.015768
"1720353"	496.217693	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+NH4+HCOOH"	64.039293
"1187895"	167.048684666667	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+3Na"	68.967654
"1655604"	501.173088	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Na+HCOOH"	68.994688
"165746"	941.27584	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+2K-H"	76.91904
"602025"	1373.45424	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+2K-H"	76.91904
"1087995"	509.09744	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2K-H"	76.91904
"151738"	471.141558	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"2M+2K"	77.926316
"591664"	687.230758	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"3M+2K"	77.926316
"1082744"	255.052358	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2K"	77.926316
"1111947"	511.111992	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2K+H"	78.933592
"1345777"	511.199607	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+DMSO+H"	79.021207
"1013215"	515.238776	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2ACN+H"	83.060376
"1533530"	516.232408	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+IsoProp+Na+H"	84.054008
"995603"	258.123026	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+2ACN+2H"	84.067652
"1600312"	517.147028	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+K+HCOOH"	84.968628
"1428156"	547.178538	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+H+CF3COOH"	115.000138
"1162414"	278.636301	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+3ACN+2H"	125.094202
"1708723"	564.205085	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+NH4+CF3COOH"	132.026685
"1643279"	569.16048	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+Na+CF3COOH"	136.98208
"1584398"	585.13442	"C20196"	"Salvinorin A"	"C23H28O8"	"432.1784"	"M+K+CF3COOH"	152.95602
"808201"	390.2042	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M"	0
"986108"	371.18581	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-H2O-H"	-19.01839
"66695"	259.128857333333	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M-3H"	-3.021828
"510629"	389.196924	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M-3H"	-3.021828
"891714"	129.060790666667	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-3H"	-3.021828
"5913"	389.196924	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M-2H"	-2.014552
"440151"	584.299024	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M-2H"	-2.014552
"828744"	194.094824	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-2H"	-2.014552
"84365"	779.401124	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M-H"	-1.007276
"519428"	1169.605324	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M-H"	-1.007276
"901727"	389.196924	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-H"	-1.007276
"59388"	796.427671	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M-2H+NH4"	16.019271
"492386"	1186.631871	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M-2H+NH4"	16.019271
"870187"	406.223471	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-2H+NH4"	16.019271
"38087"	801.383066	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M-2H+Na"	20.974666
"472302"	1191.587266	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M-2H+Na"	20.974666
"856544"	411.178866	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-2H+Na"	20.974666
"1631554"	411.178866	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Na-2H"	20.974666
"106989"	407.185263	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M-H+Cl"	33.962126
"544362"	602.287363	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M-H+Cl"	33.962126
"938971"	212.083163	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-H+Cl"	33.962126
"276434"	815.377802	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+Cl"	34.969402
"671775"	1205.582002	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+Cl"	34.969402
"1285637"	425.173602	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Cl"	34.969402
"30867"	817.357006	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M-2H+K"	36.948606
"468847"	1207.561206	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M-2H+K"	36.948606
"847743"	427.152806	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-2H+K"	36.948606
"1569045"	427.152806	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+K-2H"	36.948606
"955835"	435.202394	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-H+HCOOH"	44.998194
"375149"	825.406601	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+HCOOH-H"	44.998201
"357937"	839.422251	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+Hac-H"	59.013851
"1506767"	449.218051	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Hac-H"	59.013851
"965560"	457.184351	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-H+NaCOOH"	66.980151
"113373"	425.173602	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+2Cl"	69.938804
"552201"	620.275702	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+2Cl"	69.938804
"1026106"	230.071502	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2Cl"	69.938804
"1248976"	469.123085	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Br"	78.918885
"1314703"	471.179072	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Cl+HCOOH"	80.974872
"1328919"	493.161029	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Cl+NaCOOH"	102.956829
"924349"	503.189786	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M-H+CF3COOH"	112.985586
"1294497"	539.166464	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Cl+CF3COOH"	148.962264
"1378127"	355.191524	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H-2H2O"	-35.012676
"1390154"	373.2015	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H-H2O"	-17.0027
"284373"	781.415676	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+H"	1.007276
"677521"	1171.619876	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+H"	1.007276
"1355331"	391.211476	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H"	1.007276
"127854"	391.211476	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+2H"	2.014552
"567777"	586.313576	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+2H"	2.014552
"1038763"	196.109376	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2H"	2.014552
"212136"	261.143409333333	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+3H"	3.021828
"647684"	391.211476	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+3H"	3.021828
"1173104"	131.075342666667	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+3H"	3.021828
"437112"	798.442223	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+NH4"	18.033823
"794096"	1188.646423	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+NH4"	18.033823
"1691523"	408.238023	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+NH4"	18.033823
"339799"	399.7247495	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+H+NH4"	19.041099
"734409"	594.8268495	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+H+NH4"	19.041099
"1487133"	204.6226495	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H+NH4"	19.041099
"405816"	803.397618	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+Na"	22.989218
"767177"	1193.601818	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+Na"	22.989218
"1609442"	413.193418	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Na"	22.989218
"322761"	402.202447	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+H+Na"	23.996494
"717369"	597.304547	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+H+Na"	23.996494
"1469001"	207.100347	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H+Na"	23.996494
"1056780"	138.402656666667	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2H+Na"	25.00377
"1262831"	423.237686	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+CH3OH+H"	33.033486
"379218"	819.371558	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+K"	38.963158
"740579"	1209.575758	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+K"	38.963158
"1541174"	429.167358	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+K"	38.963158
"298831"	410.189417	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+H+K"	39.970434
"696243"	605.291517	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+H+K"	39.970434
"1450063"	215.087317	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H+K"	39.970434
"247424"	822.442226	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+ACN+H"	42.033826
"1220130"	432.238026	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+ACN+H"	42.033826
"1200732"	216.622651	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+ACN+2H"	43.041102
"199070"	825.37956	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+2Na-H"	44.97116
"636445"	1215.58376	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+2Na-H"	44.97116
"1138857"	435.17536	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2Na-H"	44.97116
"184333"	413.193418	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+2Na"	45.978436
"616970"	608.295518	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+2Na"	45.978436
"1129227"	218.091318	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2Na"	45.978436
"1412873"	145.729970666667	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H+2Na"	46.985712
"1440856"	437.216946	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H+HCOOH"	47.012746
"232738"	418.22644	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+3H2O+2H"	56.04448
"1519705"	451.26899	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+IsoProp+H"	61.06479
"417206"	421.180388	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+Na+K"	61.952376
"780388"	616.282488	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+Na+K"	61.952376
"1669428"	226.078288	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Na+K"	61.952376
"254854"	844.424168	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+ACN+Na"	64.015768
"1229750"	454.219968	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+ACN+Na"	64.015768
"1721557"	454.243493	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+NH4+HCOOH"	64.039293
"1183632"	153.057284666667	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+3Na"	68.967654
"1655714"	459.198888	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Na+HCOOH"	68.994688
"162575"	857.32744	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+2K-H"	76.91904
"601042"	1247.53164	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+2K-H"	76.91904
"1088105"	467.12324	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2K-H"	76.91904
"148932"	429.167358	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"2M+2K"	77.926316
"584118"	624.269458	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"3M+2K"	77.926316
"1074105"	234.065258	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2K"	77.926316
"1112055"	469.137792	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2K+H"	78.933592
"1348073"	469.225407	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+DMSO+H"	79.021207
"1017699"	473.264576	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2ACN+H"	83.060376
"1534733"	474.258208	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+IsoProp+Na+H"	84.054008
"998993"	237.135926	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+2ACN+2H"	84.067652
"1599328"	475.172828	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+K+HCOOH"	84.968628
"1425714"	505.204338	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+H+CF3COOH"	115.000138
"1162443"	257.649201	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+3ACN+2H"	125.094202
"1708833"	522.230885	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+NH4+CF3COOH"	132.026685
"1643389"	527.18628	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+Na+CF3COOH"	136.98208
"1584508"	543.16022	"C20197"	"Prostratin"	"C22H30O6"	"390.2042"	"M+K+CF3COOH"	152.95602
"805031"	666.9284	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M"	0
"984031"	647.91001	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-H2O-H"	-19.01839
"66805"	443.611657333333	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M-3H"	-3.021828
"510739"	665.921124	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M-3H"	-3.021828
"892917"	221.302190666667	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-3H"	-3.021828
"6023"	665.921124	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M-2H"	-2.014552
"440508"	999.385324	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M-2H"	-2.014552
"825574"	332.456924	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-2H"	-2.014552
"87755"	1332.849524	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M-H"	-1.007276
"522212"	1999.777924	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M-H"	-1.007276
"899285"	665.921124	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-H"	-1.007276
"58404"	1349.876071	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M-2H+NH4"	16.019271
"491403"	2016.804471	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M-2H+NH4"	16.019271
"867381"	682.947671	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-2H+NH4"	16.019271
"38198"	1354.831466	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M-2H+Na"	20.974666
"471723"	2021.759866	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M-2H+Na"	20.974666
"853374"	687.903066	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-2H+Na"	20.974666
"1632514"	687.903066	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Na-2H"	20.974666
"102723"	683.909463	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M-H+Cl"	33.962126
"543376"	1017.373663	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M-H+Cl"	33.962126
"935801"	350.445263	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-H+Cl"	33.962126
"277638"	1368.826202	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+Cl"	34.969402
"666782"	2035.754602	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+Cl"	34.969402
"1279186"	701.897802	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Cl"	34.969402
"22837"	1370.805406	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M-2H+K"	36.948606
"463490"	2037.733806	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M-2H+K"	36.948606
"844572"	703.877006	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-2H+K"	36.948606
"1566966"	703.877006	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+K-2H"	36.948606
"954121"	711.926594	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-H+HCOOH"	44.998194
"375258"	1378.855001	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+HCOOH-H"	44.998201
"354764"	1392.870651	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+Hac-H"	59.013851
"1502504"	725.942251	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Hac-H"	59.013851
"962390"	733.908551	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-H+NaCOOH"	66.980151
"110116"	701.897802	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+2Cl"	69.938804
"551213"	1035.362002	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+2Cl"	69.938804
"1024029"	368.433602	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2Cl"	69.938804
"1252366"	745.847285	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Br"	78.918885
"1313720"	747.903272	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Cl+HCOOH"	80.974872
"1329029"	769.885229	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Cl+NaCOOH"	102.956829
"923366"	779.913986	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M-H+CF3COOH"	112.985586
"1294607"	815.890664	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Cl+CF3COOH"	148.962264
"1376049"	631.915724	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H-2H2O"	-35.012676
"1386984"	649.9257	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H-H2O"	-17.0027
"284483"	1334.864076	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+H"	1.007276
"676004"	2001.792476	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+H"	1.007276
"1353619"	667.935676	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H"	1.007276
"127964"	667.935676	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+2H"	2.014552
"566913"	1001.399876	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+2H"	2.014552
"1039237"	334.471476	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2H"	2.014552
"212246"	445.626209333333	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+3H"	3.021828
"647064"	667.935676	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+3H"	3.021828
"1173214"	223.316742666667	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+3H"	3.021828
"436492"	1351.890623	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+NH4"	18.033823
"794206"	2018.819023	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+NH4"	18.033823
"1687257"	684.962223	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+NH4"	18.033823
"338815"	676.4489495	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+H+NH4"	19.041099
"734519"	1009.9131495	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+H+NH4"	19.041099
"1489431"	342.9847495	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H+NH4"	19.041099
"403741"	1356.846018	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+Na"	22.989218
"767288"	2023.774418	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+Na"	22.989218
"1616112"	689.917618	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Na"	22.989218
"321780"	678.926647	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+H+Na"	23.996494
"715293"	1012.390847	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+H+Na"	23.996494
"1468018"	345.462447	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H+Na"	23.996494
"1059078"	230.644056666667	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2H+Na"	25.00377
"1262941"	699.961886	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+CH3OH+H"	33.033486
"378233"	1372.819958	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+K"	38.963158
"740689"	2039.748358	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+K"	38.963158
"1541648"	705.891558	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+K"	38.963158
"299187"	686.913617	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+H+K"	39.970434
"698541"	1020.377817	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+H+K"	39.970434
"1452362"	353.449417	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H+K"	39.970434
"246440"	1375.890626	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+ACN+H"	42.033826
"1218053"	708.962226	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+ACN+H"	42.033826
"1199749"	354.984751	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+ACN+2H"	43.041102
"200274"	1378.82796	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+2Na-H"	44.97116
"636555"	2045.75636	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+2Na-H"	44.97116
"1143341"	711.89956	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2Na-H"	44.97116
"181163"	689.917618	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+2Na"	45.978436
"619632"	1023.381818	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+2Na"	45.978436
"1128609"	356.453418	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2Na"	45.978436
"1413109"	237.971370666667	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H+2Na"	46.985712
"1442060"	713.941146	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H+HCOOH"	47.012746
"230661"	694.95064	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+3H2O+2H"	56.04448
"1519815"	727.99319	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+IsoProp+H"	61.06479
"417316"	697.904588	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+Na+K"	61.952376
"777946"	1031.368788	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+Na+K"	61.952376
"1668079"	364.440388	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Na+K"	61.952376
"255692"	1397.872568	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+ACN+Na"	64.015768
"1228400"	730.944168	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+ACN+Na"	64.015768
"1714730"	730.967693	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+NH4+HCOOH"	64.039293
"1182645"	245.298684666667	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+3Na"	68.967654
"1655823"	735.923088	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Na+HCOOH"	68.994688
"163779"	1410.77584	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+2K-H"	76.91904
"599328"	2077.70424	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+2K-H"	76.91904
"1086393"	743.84744	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2K-H"	76.91904
"145762"	705.891558	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"2M+2K"	77.926316
"582043"	1039.355758	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"3M+2K"	77.926316
"1074215"	372.427358	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2K"	77.926316
"1114231"	745.861992	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2K+H"	78.933592
"1348183"	745.949607	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+DMSO+H"	79.021207
"1015622"	749.988776	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2ACN+H"	83.060376
"1534843"	750.982408	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+IsoProp+Na+H"	84.054008
"1002383"	375.498026	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+2ACN+2H"	84.067652
"1600531"	751.897028	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+K+HCOOH"	84.968628
"1428012"	781.928538	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+H+CF3COOH"	115.000138
"1161581"	396.011301	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+3ACN+2H"	125.094202
"1710766"	798.955085	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+NH4+CF3COOH"	132.026685
"1648969"	803.91048	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+Na+CF3COOH"	136.98208
"1584618"	819.88442	"C20198"	"Adenosine 5-pentaphosphate"	"C10H18N5O19P5"	"666.9284"	"M+K+CF3COOH"	152.95602
"811701"	238.1205	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M"	0
"985235"	219.10211	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-H2O-H"	-19.01839
"68008"	157.739724	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M-3H"	-3.021828
"510849"	237.113224	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M-3H"	-3.021828
"890839"	78.366224	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-3H"	-3.021828
"6133"	237.113224	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M-2H"	-2.014552
"440704"	356.173474	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M-2H"	-2.014552
"825684"	118.052974	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-2H"	-2.014552
"87865"	475.233724	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M-H"	-1.007276
"524145"	713.354224	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M-H"	-1.007276
"903040"	237.113224	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-H"	-1.007276
"60337"	492.260271	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M-2H+NH4"	16.019271
"493700"	730.380771	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M-2H+NH4"	16.019271
"867126"	254.139771	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-2H+NH4"	16.019271
"36121"	497.215666	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M-2H+Na"	20.974666
"472522"	735.336166	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M-2H+Na"	20.974666
"856764"	259.095166	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-2H+Na"	20.974666
"1628484"	259.095166	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Na-2H"	20.974666
"103927"	255.101563	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M-H+Cl"	33.962126
"541298"	374.161813	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M-H+Cl"	33.962126
"934818"	136.041313	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-H+Cl"	33.962126
"277748"	511.210402	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+Cl"	34.969402
"672359"	749.330902	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+Cl"	34.969402
"1279296"	273.089902	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Cl"	34.969402
"29143"	513.189606	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M-2H+K"	36.948606
"464694"	751.310106	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M-2H+K"	36.948606
"838121"	275.069106	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-2H+K"	36.948606
"1561608"	275.069106	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+K-2H"	36.948606
"953866"	283.118694	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-H+HCOOH"	44.998194
"372086"	521.239201	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+HCOOH-H"	44.998201
"355967"	535.254851	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+Hac-H"	59.013851
"1501518"	297.134351	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Hac-H"	59.013851
"959215"	305.100651	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-H+NaCOOH"	66.980151
"110311"	273.089902	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+2Cl"	69.938804
"554238"	392.150152	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+2Cl"	69.938804
"1025232"	154.029652	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2Cl"	69.938804
"1251383"	317.039385	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Br"	78.918885
"1312737"	319.095372	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Cl+HCOOH"	80.974872
"1329139"	341.077329	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Cl+NaCOOH"	102.956829
"923476"	351.106086	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M-H+CF3COOH"	112.985586
"1296904"	387.082764	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Cl+CF3COOH"	148.962264
"1377253"	203.107824	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H-2H2O"	-35.012676
"1393654"	221.1178	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H-H2O"	-17.0027
"284593"	477.248276	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+H"	1.007276
"676077"	715.368776	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+H"	1.007276
"1353729"	239.127776	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H"	1.007276
"126978"	239.127776	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+2H"	2.014552
"567997"	358.188026	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+2H"	2.014552
"1038983"	120.067526	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2H"	2.014552
"213449"	159.754276	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+3H"	3.021828
"646081"	239.127776	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+3H"	3.021828
"1171137"	80.380776	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+3H"	3.021828
"432227"	494.274823	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+NH4"	18.033823
"794316"	732.395323	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+NH4"	18.033823
"1687731"	256.154323	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+NH4"	18.033823
"334186"	247.6410495	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+H+NH4"	19.041099
"733534"	366.7012995	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+H+NH4"	19.041099
"1486261"	128.5807995	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H+NH4"	19.041099
"406765"	499.230218	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+Na"	22.989218
"769098"	737.350718	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+Na"	22.989218
"1609660"	261.109718	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Na"	22.989218
"327358"	250.118747	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+H+Na"	23.996494
"715403"	369.178997	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+H+Na"	23.996494
"1468128"	131.058497	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H+Na"	23.996494
"1057000"	87.70809	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2H+Na"	25.00377
"1260498"	271.153986	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+CH3OH+H"	33.033486
"379436"	515.204158	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+K"	38.963158
"742618"	753.324658	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+K"	38.963158
"1544672"	277.083658	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+K"	38.963158
"300029"	258.105717	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+H+K"	39.970434
"698652"	377.165967	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+H+K"	39.970434
"1453566"	139.045467	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H+K"	39.970434
"239990"	518.274826	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+ACN+H"	42.033826
"1218163"	280.154326	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+ACN+H"	42.033826
"1206419"	140.580801	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+ACN+2H"	43.041102
"200383"	521.21216	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+2Na-H"	44.97116
"642132"	759.33266	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+2Na-H"	44.97116
"1144544"	283.09166	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2Na-H"	44.97116
"186376"	261.109718	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+2Na"	45.978436
"623022"	380.169968	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+2Na"	45.978436
"1128962"	142.049468	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2Na"	45.978436
"1412975"	95.035404	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H+2Na"	46.985712
"1443630"	285.133246	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H+HCOOH"	47.012746
"235543"	266.14274	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+3H2O+2H"	56.04448
"1521019"	299.18529	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+IsoProp+H"	61.06479
"420707"	269.096688	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+Na+K"	61.952376
"781702"	388.156938	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+Na+K"	61.952376
"1670012"	150.036438	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Na+K"	61.952376
"256166"	540.256768	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+ACN+Na"	64.015768
"1227781"	302.136268	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+ACN+Na"	64.015768
"1713752"	302.159793	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+NH4+HCOOH"	64.039293
"1184942"	102.362718	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+3Na"	68.967654
"1659213"	307.115188	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Na+HCOOH"	68.994688
"168263"	553.16004	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+2K-H"	76.91904
"601262"	791.28054	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+2K-H"	76.91904
"1091242"	315.03954	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2K-H"	76.91904
"149152"	277.083658	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"2M+2K"	77.926316
"589807"	396.143908	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"3M+2K"	77.926316
"1074325"	158.023408	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2K"	77.926316
"1107536"	317.054092	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2K+H"	78.933592
"1340639"	317.141707	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+DMSO+H"	79.021207
"1015731"	321.180876	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2ACN+H"	83.060376
"1531668"	322.174508	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+IsoProp+Na+H"	84.054008
"999213"	161.094076	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+2ACN+2H"	84.067652
"1596995"	323.089128	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+K+HCOOH"	84.968628
"1427027"	353.120638	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+H+CF3COOH"	115.000138
"1161689"	181.607351	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+3ACN+2H"	125.094202
"1711605"	370.147185	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+NH4+CF3COOH"	132.026685
"1648350"	375.10258	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+Na+CF3COOH"	136.98208
"1584728"	391.07652	"C20199"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoate;917-Dioxo-12341019-hexanorandrostan-5-oic acid;DOHNAA;HIP"	"C13H18O4"	"238.1205"	"M+K+CF3COOH"	152.95602
"808531"	426.3862	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M"	0
"985345"	407.36781	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"68118"	283.250190666667	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"512052"	425.378924	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"887669"	141.121457333333	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"6243"	425.378924	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"441789"	638.572024	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"822514"	212.185824	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"84695"	851.765124	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"522796"	1278.151324	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"903150"	425.378924	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"60446"	868.791671	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"492717"	1295.177871	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"873434"	442.405471	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"36231"	873.747066	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"472996"	1300.133266	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"858697"	447.360866	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1631146"	447.360866	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"104037"	443.367263	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"541408"	656.560363	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"934927"	230.174163	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"272391"	887.741802	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"669189"	1314.128002	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1282687"	461.355602	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"26337"	889.721006	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"463710"	1316.107206	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"841512"	463.334806	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1566093"	463.334806	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"952882"	471.384394	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"370010"	897.770601	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"352797"	911.786251	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1498348"	485.400051	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"959197"	493.366351	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"110297"	461.355602	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"550701"	674.548702	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1023156"	248.162502	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1250400"	505.305085	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1312847"	507.361072	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1328157"	529.343029	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"922493"	539.371786	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1295921"	575.348464	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1376269"	391.373524	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1387203"	409.3835	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"284703"	853.779676	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"676027"	1280.165876	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1353475"	427.393476	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H"	1.007276
"125995"	427.393476	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"567013"	640.586576	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1039822"	214.200376	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"212466"	285.264742666667	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"649838"	427.393476	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1171247"	143.136009333333	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"433430"	870.806223	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"792239"	1297.192423	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1687112"	444.420023	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"340129"	435.9067495	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"735831"	649.0998495	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1485277"	222.7136495	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"400675"	875.761618	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"768600"	1302.147818	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1610863"	449.375418	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"327103"	438.384447	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"718792"	651.577547	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1463862"	225.191347	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1055651"	150.463323333333	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1260244"	459.419686	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"378453"	891.735558	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"740905"	1318.121758	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1543688"	465.349358	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+K"	38.963158
"303052"	446.371417	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"699855"	659.564517	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1453676"	233.178317	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"242286"	894.806226	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1220460"	468.420026	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1205435"	234.713651	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"203168"	897.74356	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"641878"	1324.12976	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1144654"	471.35736	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"186850"	449.375418	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"625684"	662.568518	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1129072"	236.182318	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1413328"	157.790637333333	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1443010"	473.398946	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"234407"	454.40844	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1521129"	487.45099	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"420817"	457.362388	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"780719"	670.555488	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1670122"	244.169288	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"255911"	916.788168	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1229713"	490.401968	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1714591"	490.425493	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1185052"	165.117951333333	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1654950"	495.380888	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"163999"	929.69144	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"601372"	1356.07764	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1093539"	503.30524	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"149263"	465.349358	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"589918"	678.542458	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1077715"	252.156258	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1112020"	505.319792	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1342936"	505.407407	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1014748"	509.446576	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1531778"	510.440208	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"996043"	255.226926	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1594918"	511.354828	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1423857"	541.386338	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1160706"	275.740201	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1709163"	558.412885	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1647003"	563.36828	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1584838"	579.34222	"C20200"	"Baruol"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"805361"	302.1518	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M"	0
"984362"	283.13341	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H2O-H"	-19.01839
"69322"	200.427257333333	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-3H"	-3.021828
"507787"	301.144524	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-3H"	-3.021828
"887779"	99.7099906666667	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-3H"	-3.021828
"4166"	301.144524	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H"	-2.014552
"443720"	452.220424	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H"	-2.014552
"822624"	150.068624	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H"	-2.014552
"91731"	603.296324	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-H"	-1.007276
"522906"	905.448124	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-H"	-1.007276
"903260"	301.144524	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H"	-1.007276
"59463"	620.322871	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H+NH4"	16.019271
"492827"	922.474671	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H+NH4"	16.019271
"873908"	318.171071	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H+NH4"	16.019271
"40716"	625.278266	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H+Na"	20.974666
"475903"	927.430066	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H+Na"	20.974666
"860630"	323.126466	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H+Na"	20.974666
"1629433"	323.126466	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na-2H"	20.974666
"101959"	319.132863	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-H+Cl"	33.962126
"541518"	470.208763	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-H+Cl"	33.962126
"935037"	168.056963	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+Cl"	33.962126
"272501"	639.273002	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Cl"	34.969402
"669299"	941.424802	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+Cl"	34.969402
"1282797"	337.121202	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl"	34.969402
"23166"	641.252206	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M-2H+K"	36.948606
"463820"	943.404006	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M-2H+K"	36.948606
"844902"	339.100406	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-2H+K"	36.948606
"1566203"	339.100406	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K-2H"	36.948606
"951899"	347.149994	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+HCOOH"	44.998194
"371213"	649.301801	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+HCOOH-H"	44.998201
"352907"	663.317451	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Hac-H"	59.013851
"1497365"	361.165651	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Hac-H"	59.013851
"959304"	369.131951	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+NaCOOH"	66.980151
"110170"	337.121202	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2Cl"	69.938804
"552636"	488.197102	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2Cl"	69.938804
"1022412"	186.045302	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2Cl"	69.938804
"1252696"	381.070685	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Br"	78.918885
"1315144"	383.126672	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl+HCOOH"	80.974872
"1331547"	405.108629	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl+NaCOOH"	102.956829
"923696"	415.137386	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M-H+CF3COOH"	112.985586
"1300406"	451.114064	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Cl+CF3COOH"	148.962264
"1376379"	267.139124	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H-2H2O"	-35.012676
"1384397"	285.1491	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H-H2O"	-17.0027
"284813"	605.310876	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H"	1.007276
"676255"	907.462676	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H"	1.007276
"1352125"	303.159076	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H"	1.007276
"126590"	303.159076	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2H"	2.014552
"566394"	454.234976	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2H"	2.014552
"1038108"	152.083176	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2H"	2.014552
"212576"	202.441809333333	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+3H"	3.021828
"648855"	303.159076	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+3H"	3.021828
"1175369"	101.724542666667	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+3H"	3.021828
"432808"	622.337423	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+NH4"	18.033823
"793437"	924.489223	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+NH4"	18.033823
"1688314"	320.185623	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+NH4"	18.033823
"335136"	311.6723495	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H+NH4"	19.041099
"727192"	462.7482495	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H+NH4"	19.041099
"1484291"	160.5964495	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+NH4"	19.041099
"398596"	627.292818	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Na"	22.989218
"759593"	929.444618	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+Na"	22.989218
"1605504"	325.141018	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na"	22.989218
"315051"	314.150047	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H+Na"	23.996494
"709054"	465.225947	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H+Na"	23.996494
"1462267"	163.074147	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+Na"	23.996494
"1054788"	109.051856666667	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2H+Na"	25.00377
"1257431"	335.185286	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+CH3OH+H"	33.033486
"378074"	643.266758	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+K"	38.963158
"739064"	945.418558	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+K"	38.963158
"1542703"	341.114958	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K"	38.963158
"299510"	322.137017	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+H+K"	39.970434
"697779"	473.212917	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+H+K"	39.970434
"1453786"	171.061117	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+K"	39.970434
"246771"	646.337426	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+ACN+H"	42.033826
"1221665"	344.185626	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+ACN+H"	42.033826
"1206640"	172.596451	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+ACN+2H"	43.041102
"203888"	649.27476	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2Na-H"	44.97116
"643571"	951.42656	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2Na-H"	44.97116
"1146715"	347.12296	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2Na-H"	44.97116
"188180"	325.141018	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2Na"	45.978436
"627740"	476.216918	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2Na"	45.978436
"1130154"	174.065118	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2Na"	45.978436
"1412952"	116.379170666667	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+2Na"	46.985712
"1443484"	349.164546	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+HCOOH"	47.012746
"233908"	330.17404	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+3H2O+2H"	56.04448
"1516865"	363.21659	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+IsoProp+H"	61.06479
"417646"	333.127988	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+Na+K"	61.952376
"783016"	484.203888	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+Na+K"	61.952376
"1672054"	182.052088	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na+K"	61.952376
"253834"	668.319368	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+ACN+Na"	64.015768
"1230916"	366.167568	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+ACN+Na"	64.015768
"1715429"	366.191093	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+NH4+HCOOH"	64.039293
"1184434"	123.706484666667	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+3Na"	68.967654
"1653965"	371.146488	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na+HCOOH"	68.994688
"163015"	681.22264	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2K-H"	76.91904
"601482"	983.37444	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2K-H"	76.91904
"1091461"	379.07084	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2K-H"	76.91904
"152653"	341.114958	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"2M+2K"	77.926316
"590027"	492.190858	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"3M+2K"	77.926316
"1075638"	190.039058	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2K"	77.926316
"1105569"	381.085392	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2K+H"	78.933592
"1337579"	381.173007	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+DMSO+H"	79.021207
"1012671"	385.212176	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2ACN+H"	83.060376
"1532983"	386.205808	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+IsoProp+Na+H"	84.054008
"999430"	193.109726	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+2ACN+2H"	84.067652
"1597216"	387.120428	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K+HCOOH"	84.968628
"1427249"	417.151938	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+H+CF3COOH"	115.000138
"1158629"	213.623001	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+3ACN+2H"	125.094202
"1709273"	434.178485	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+NH4+CF3COOH"	132.026685
"1648206"	439.13388	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+Na+CF3COOH"	136.98208
"1584948"	455.10782	"C20201"	"(-)-Solanapyrone A;Solanapyrone A;4-Methoxy-6-((1R2S4aR8aR)-2-methyl-124a56788a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde"	"C18H22O4"	"302.1518"	"M+K+CF3COOH"	152.95602
"805471"	593.3478	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M"	0
"981191"	574.32941	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-H2O-H"	-19.01839
"68338"	394.557924	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M-3H"	-3.021828
"507168"	592.340524	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M-3H"	-3.021828
"888982"	196.775324	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-3H"	-3.021828
"2087"	592.340524	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M-2H"	-2.014552
"442738"	889.014424	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M-2H"	-2.014552
"822734"	295.666624	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-2H"	-2.014552
"88195"	1185.688324	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M-H"	-1.007276
"527755"	1779.036124	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M-H"	-1.007276
"898266"	592.340524	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-H"	-1.007276
"59573"	1202.714871	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M-2H+NH4"	16.019271
"492937"	1796.062671	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M-2H+NH4"	16.019271
"872925"	609.367071	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-2H+NH4"	16.019271
"41920"	1207.670266	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M-2H+Na"	20.974666
"478200"	1801.018066	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M-2H+Na"	20.974666
"860375"	614.322466	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-2H+Na"	20.974666
"1630273"	614.322466	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Na-2H"	20.974666
"99882"	610.328863	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M-H+Cl"	33.962126
"538348"	907.002763	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M-H+Cl"	33.962126
"935145"	313.654963	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-H+Cl"	33.962126
"274797"	1221.665002	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+Cl"	34.969402
"670502"	1815.012802	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+Cl"	34.969402
"1279627"	628.317202	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Cl"	34.969402
"23276"	1223.644206	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M-2H+K"	36.948606
"463930"	1816.992006	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M-2H+K"	36.948606
"840638"	630.296406	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-2H+K"	36.948606
"1563031"	630.296406	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+K-2H"	36.948606
"946539"	638.345994	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-H+HCOOH"	44.998194
"371322"	1231.693801	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+HCOOH-H"	44.998201
"354110"	1245.709451	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+Hac-H"	59.013851
"1498568"	652.361651	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Hac-H"	59.013851
"958969"	660.327951	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-H+NaCOOH"	66.980151
"110285"	628.317202	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+2Cl"	69.938804
"550925"	924.991102	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+2Cl"	69.938804
"1021359"	331.643302	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2Cl"	69.938804
"1252806"	672.266685	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Br"	78.918885
"1315254"	674.322672	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Cl+HCOOH"	80.974872
"1332750"	696.304629	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Cl+NaCOOH"	102.956829
"924899"	706.333386	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M-H+CF3COOH"	112.985586
"1299422"	742.310064	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Cl+CF3COOH"	148.962264
"1377582"	558.335124	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H-2H2O"	-35.012676
"1385600"	576.3451	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H-H2O"	-17.0027
"285287"	1187.702876	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+H"	1.007276
"676122"	1781.050676	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+H"	1.007276
"1352355"	594.355076	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H"	1.007276
"128036"	594.355076	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+2H"	2.014552
"566258"	891.028976	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+2H"	2.014552
"1037242"	297.681176	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2H"	2.014552
"204360"	396.572476	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+3H"	3.021828
"644585"	594.355076	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+3H"	3.021828
"1170374"	198.789876	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+3H"	3.021828
"430731"	1204.729423	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+NH4"	18.033823
"791362"	1798.077223	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+NH4"	18.033823
"1687696"	611.381623	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+NH4"	18.033823
"338162"	602.8683495	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+H+NH4"	19.041099
"727666"	899.5422495	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+H+NH4"	19.041099
"1485495"	306.1944495	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H+NH4"	19.041099
"396519"	1209.684818	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+Na"	22.989218
"759703"	1803.032618	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+Na"	22.989218
"1604033"	616.337018	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Na"	22.989218
"315404"	605.346047	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+H+Na"	23.996494
"708436"	902.019947	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+H+Na"	23.996494
"1463225"	308.672147	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H+Na"	23.996494
"1054413"	206.11719	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2H+Na"	25.00377
"1258027"	626.381286	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+CH3OH+H"	33.033486
"377739"	1225.658758	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+K"	38.963158
"739059"	1819.006558	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+K"	38.963158
"1542813"	632.310958	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+K"	38.963158
"299982"	613.333017	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+H+K"	39.970434
"698981"	910.006917	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+H+K"	39.970434
"1452800"	316.659117	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H+K"	39.970434
"250157"	1228.729426	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+ACN+H"	42.033826
"1224206"	635.381626	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+ACN+H"	42.033826
"1206750"	318.194451	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+ACN+2H"	43.041102
"203629"	1231.66676	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+2Na-H"	44.97116
"643883"	1825.01456	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+2Na-H"	44.97116
"1146929"	638.31896	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2Na-H"	44.97116
"187799"	616.337018	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+2Na"	45.978436
"628294"	913.010918	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+2Na"	45.978436
"1131116"	319.663118	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2Na"	45.978436
"1412572"	213.444504	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H+2Na"	46.985712
"1445501"	640.360546	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H+HCOOH"	47.012746
"234990"	621.37004	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+3H2O+2H"	56.04448
"1518068"	654.41259	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+IsoProp+H"	61.06479
"417756"	624.323988	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+Na+K"	61.952376
"778022"	920.997888	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+Na+K"	61.952376
"1669611"	327.650088	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Na+K"	61.952376
"252850"	1250.711368	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+ACN+Na"	64.015768
"1232119"	657.363568	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+ACN+Na"	64.015768
"1715539"	657.387093	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+NH4+HCOOH"	64.039293
"1184180"	220.771818	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+3Na"	68.967654
"1656261"	662.342488	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Na+HCOOH"	68.994688
"163125"	1263.61464	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+2K-H"	76.91904
"607059"	1856.96244	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+2K-H"	76.91904
"1087196"	670.26684	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2K-H"	76.91904
"152399"	632.310958	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"2M+2K"	77.926316
"583575"	928.984858	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"3M+2K"	77.926316
"1075748"	335.637058	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2K"	77.926316
"1107866"	672.281392	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2K+H"	78.933592
"1337810"	672.369007	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+DMSO+H"	79.021207
"1013875"	676.408176	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2ACN+H"	83.060376
"1529811"	677.401808	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+IsoProp+Na+H"	84.054008
"1002820"	338.707726	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+2ACN+2H"	84.067652
"1595137"	678.316428	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+K+HCOOH"	84.968628
"1427358"	708.347938	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+H+CF3COOH"	115.000138
"1158739"	359.221001	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+3ACN+2H"	125.094202
"1709383"	725.374485	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+NH4+CF3COOH"	132.026685
"1649532"	730.32988	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+Na+CF3COOH"	136.98208
"1585058"	746.30382	"C20202"	"BRACO-19;9-4-(NN-dimethylamino)phenylamino-36-bis (3-pyrrolodino-propionamido) acridine"	"C35H43N7O2"	"593.3478"	"M+K+CF3COOH"	152.95602
"813236"	306.1831	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M"	0
"983487"	287.16471	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-H2O-H"	-19.01839
"71730"	203.114790666667	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M-3H"	-3.021828
"510195"	305.175824	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M-3H"	-3.021828
"892374"	101.053757333333	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-3H"	-3.021828
"7666"	305.175824	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M-2H"	-2.014552
"440905"	458.267374	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M-2H"	-2.014552
"827219"	152.084274	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-2H"	-2.014552
"90128"	611.358924	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M-H"	-1.007276
"528595"	917.542024	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M-H"	-1.007276
"900199"	305.175824	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-H"	-1.007276
"55670"	628.385471	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M-2H+NH4"	16.019271
"493047"	934.568571	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M-2H+NH4"	16.019271
"870848"	322.202371	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-2H+NH4"	16.019271
"42030"	633.340866	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M-2H+Na"	20.974666
"477216"	939.523966	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M-2H+Na"	20.974666
"857204"	327.157766	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-2H+Na"	20.974666
"1631112"	327.157766	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Na-2H"	20.974666
"99992"	323.164163	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M-H+Cl"	33.962126
"536271"	476.255713	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M-H+Cl"	33.962126
"933066"	170.072613	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-H+Cl"	33.962126
"273814"	647.335602	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+Cl"	34.969402
"664051"	953.518702	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+Cl"	34.969402
"1277548"	341.152502	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Cl"	34.969402
"23386"	649.314806	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M-2H+K"	36.948606
"460759"	955.497906	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M-2H+K"	36.948606
"840748"	343.131706	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-2H+K"	36.948606
"1563141"	343.131706	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+K-2H"	36.948606
"945556"	351.181294	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-H+HCOOH"	44.998194
"367058"	657.364401	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+HCOOH-H"	44.998201
"354220"	671.380051	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+Hac-H"	59.013851
"1495398"	365.196951	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Hac-H"	59.013851
"958563"	373.163251	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-H+NaCOOH"	66.980151
"110382"	341.152502	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+2Cl"	69.938804
"551399"	494.244052	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+2Cl"	69.938804
"1021354"	188.060952	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2Cl"	69.938804
"1251823"	385.101985	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Br"	78.918885
"1313177"	387.157972	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Cl+HCOOH"	80.974872
"1333953"	409.139929	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Cl+NaCOOH"	102.956829
"923916"	419.168686	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M-H+CF3COOH"	112.985586
"1296252"	455.145364	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Cl+CF3COOH"	148.962264
"1376599"	271.170424	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H-2H2O"	-35.012676
"1382912"	289.1804	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H-H2O"	-17.0027
"283573"	613.373476	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+H"	1.007276
"675745"	919.556576	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+H"	1.007276
"1351981"	307.190376	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H"	1.007276
"126080"	307.190376	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+2H"	2.014552
"565805"	460.281926	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+2H"	2.014552
"1037059"	154.098826	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2H"	2.014552
"204294"	205.129342666667	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+3H"	3.021828
"644566"	307.190376	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+3H"	3.021828
"1171577"	103.068309333333	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+3H"	3.021828
"430477"	630.400023	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+NH4"	18.033823
"790378"	936.583123	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+NH4"	18.033823
"1686712"	324.216923	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+NH4"	18.033823
"334992"	315.7036495	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+H+NH4"	19.041099
"726319"	468.7951995	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+H+NH4"	19.041099
"1483418"	162.6120995	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H+NH4"	19.041099
"395536"	635.355418	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+Na"	22.989218
"757627"	941.538518	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+Na"	22.989218
"1609005"	329.172318	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Na"	22.989218
"314625"	318.181347	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+H+Na"	23.996494
"708910"	471.272897	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+H+Na"	23.996494
"1462002"	165.089797	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H+Na"	23.996494
"1054523"	110.395623333333	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2H+Na"	25.00377
"1257368"	339.216586	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+CH3OH+H"	33.033486
"378782"	651.329358	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+K"	38.963158
"743056"	957.512458	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+K"	38.963158
"1546203"	345.146258	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+K"	38.963158
"298877"	326.168317	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+H+K"	39.970434
"695809"	479.259867	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+H+K"	39.970434
"1446345"	173.076767	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H+K"	39.970434
"247715"	654.400026	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+ACN+H"	42.033826
"1222246"	348.216926	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+ACN+H"	42.033826
"1205400"	174.612101	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+ACN+2H"	43.041102
"200823"	657.33736	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+2Na-H"	44.97116
"638196"	963.52046	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+2Na-H"	44.97116
"1147009"	351.15426	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2Na-H"	44.97116
"187180"	329.172318	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+2Na"	45.978436
"626742"	482.263868	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+2Na"	45.978436
"1130248"	176.080768	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2Na"	45.978436
"1412678"	117.722937333333	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H+2Na"	46.985712
"1441514"	353.195846	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H+HCOOH"	47.012746
"233034"	334.20534	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+3H2O+2H"	56.04448
"1517085"	367.24789	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+IsoProp+H"	61.06479
"416773"	337.159288	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+Na+K"	61.952376
"776675"	490.250838	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+Na+K"	61.952376
"1667899"	184.067738	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Na+K"	61.952376
"251988"	676.381968	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+ACN+Na"	64.015768
"1232229"	370.198868	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+ACN+Na"	64.015768
"1714556"	370.222393	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+NH4+HCOOH"	64.039293
"1184290"	125.050251333333	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+3Na"	68.967654
"1656371"	375.177788	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Na+HCOOH"	68.994688
"166515"	689.28524	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+2K-H"	76.91904
"607169"	995.46834	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+2K-H"	76.91904
"1087306"	383.10214	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2K-H"	76.91904
"152873"	345.146258	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"2M+2K"	77.926316
"583685"	498.237808	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"3M+2K"	77.926316
"1074765"	192.054708	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2K"	77.926316
"1102506"	385.116692	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2K+H"	78.933592
"1341079"	385.204307	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+DMSO+H"	79.021207
"1010704"	389.243476	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2ACN+H"	83.060376
"1532107"	390.237108	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+IsoProp+Na+H"	84.054008
"1000742"	195.125376	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+2ACN+2H"	84.067652
"1596340"	391.151728	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+K+HCOOH"	84.968628
"1419813"	421.183238	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+H+CF3COOH"	115.000138
"1156661"	215.638651	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+3ACN+2H"	125.094202
"1709493"	438.209785	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+NH4+CF3COOH"	132.026685
"1644050"	443.16518	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+Na+CF3COOH"	136.98208
"1585168"	459.13912	"C20203"	"Capsiate"	"C18H26O4"	"306.1831"	"M+K+CF3COOH"	152.95602
"813346"	161.051	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M"	0
"988945"	142.03261	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-H2O-H"	-19.01839
"77553"	106.360057333333	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M-3H"	-3.021828
"512492"	160.043724	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M-3H"	-3.021828
"893213"	52.6763906666667	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-3H"	-3.021828
"6683"	160.043724	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M-2H"	-2.014552
"441867"	240.569224	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M-2H"	-2.014552
"829518"	79.518224	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-2H"	-2.014552
"94095"	321.094724	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M-H"	-1.007276
"533572"	482.145724	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M-H"	-1.007276
"906869"	160.043724	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-H"	-1.007276
"55781"	338.121271	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M-2H+NH4"	16.019271
"500084"	499.172271	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M-2H+NH4"	16.019271
"876061"	177.070271	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-2H+NH4"	16.019271
"42141"	343.076666	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M-2H+Na"	20.974666
"480606"	504.127666	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M-2H+Na"	20.974666
"860596"	182.025666	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-2H+Na"	20.974666
"1633169"	182.025666	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Na-2H"	20.974666
"99369"	178.032063	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M-H+Cl"	33.962126
"541845"	258.557563	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M-H+Cl"	33.962126
"929897"	97.506563	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-H+Cl"	33.962126
"272831"	357.071402	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+Cl"	34.969402
"664161"	518.122402	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+Cl"	34.969402
"1278753"	196.020402	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Cl"	34.969402
"20216"	359.050606	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M-2H+K"	36.948606
"464149"	520.101606	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M-2H+K"	36.948606
"840858"	197.999606	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-2H+K"	36.948606
"1562158"	197.999606	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+K-2H"	36.948606
"945666"	206.049194	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-H+HCOOH"	44.998194
"367167"	367.100201	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+HCOOH-H"	44.998201
"348862"	381.115851	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+Hac-H"	59.013851
"1495508"	220.064851	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Hac-H"	59.013851
"959516"	228.031151	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-H+NaCOOH"	66.980151
"110978"	196.020402	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+2Cl"	69.938804
"552602"	276.545902	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+2Cl"	69.938804
"1022255"	115.494902	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2Cl"	69.938804
"1255214"	239.969885	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Br"	78.918885
"1316567"	242.025872	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Cl+HCOOH"	80.974872
"1334063"	264.007829	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Cl+NaCOOH"	102.956829
"924026"	274.036586	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M-H+CF3COOH"	112.985586
"1300736"	310.013264	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Cl+CF3COOH"	148.962264
"1376709"	126.038324	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H-2H2O"	-35.012676
"1386550"	144.0483	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H-H2O"	-17.0027
"288424"	323.109276	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+H"	1.007276
"676226"	484.160276	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+H"	1.007276
"1351848"	162.058276	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H"	1.007276
"128989"	162.058276	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+2H"	2.014552
"568181"	242.583776	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+2H"	2.014552
"1038443"	81.532776	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2H"	2.014552
"206709"	108.374609333333	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+3H"	3.021828
"648092"	162.058276	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+3H"	3.021828
"1176063"	54.6909426666667	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+3H"	3.021828
"436055"	340.135823	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+NH4"	18.033823
"793769"	501.186823	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+NH4"	18.033823
"1686823"	179.084823	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+NH4"	18.033823
"342757"	170.5715495	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+H+NH4"	19.041099
"737243"	251.0970495	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+H+NH4"	19.041099
"1487904"	90.0460495	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H+NH4"	19.041099
"406220"	345.091218	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+Na"	22.989218
"767221"	506.142218	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+Na"	22.989218
"1616412"	184.040218	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Na"	22.989218
"319155"	173.049247	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+H+Na"	23.996494
"720691"	253.574747	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+H+Na"	23.996494
"1466491"	92.523747	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H+Na"	23.996494
"1053540"	62.0182566666667	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2H+Na"	25.00377
"1260683"	194.084486	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+CH3OH+H"	33.033486
"383267"	361.065158	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+K"	38.963158
"746448"	522.116158	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+K"	38.963158
"1549596"	200.014158	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+K"	38.963158
"304584"	181.036217	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+H+K"	39.970434
"697012"	261.561717	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+H+K"	39.970434
"1446128"	100.510717	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H+K"	39.970434
"244907"	364.135826	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+ACN+H"	42.033826
"1223450"	203.084826	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+ACN+H"	42.033826
"1205510"	102.046051	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+ACN+2H"	43.041102
"192547"	367.07316	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+2Na-H"	44.97116
"636116"	528.12416	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+2Na-H"	44.97116
"1136343"	206.02216	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2Na-H"	44.97116
"178540"	184.040218	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+2Na"	45.978436
"627952"	264.565718	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+2Na"	45.978436
"1128539"	103.514718	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2Na"	45.978436
"1412063"	69.3455706666667	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H+2Na"	46.985712
"1441623"	208.063746	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H+HCOOH"	47.012746
"232417"	189.07324	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+3H2O+2H"	56.04448
"1516100"	222.11579	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+IsoProp+H"	61.06479
"413600"	192.027188	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+Na+K"	61.952376
"774960"	272.552688	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+Na+K"	61.952376
"1666912"	111.501688	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Na+K"	61.952376
"252702"	386.117768	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+ACN+Na"	64.015768
"1228329"	225.066768	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+ACN+Na"	64.015768
"1722319"	225.090293	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+NH4+HCOOH"	64.039293
"1179003"	76.6728846666667	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+3Na"	68.967654
"1652469"	230.045688	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Na+HCOOH"	68.994688
"161156"	399.02104	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+2K-H"	76.91904
"603633"	560.07204	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+2K-H"	76.91904
"1089238"	237.97004	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2K-H"	76.91904
"148608"	200.014158	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"2M+2K"	77.926316
"592180"	280.539658	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"3M+2K"	77.926316
"1073781"	119.488658	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2K"	77.926316
"1103708"	239.984592	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2K+H"	78.933592
"1343376"	240.072207	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+DMSO+H"	79.021207
"1008991"	244.111376	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2ACN+H"	83.060376
"1527844"	245.105008	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+IsoProp+Na+H"	84.054008
"997572"	122.559326	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+2ACN+2H"	84.067652
"1597544"	246.019628	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+K+HCOOH"	84.968628
"1417007"	276.051138	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+H+CF3COOH"	115.000138
"1151305"	143.072601	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+3ACN+2H"	125.094202
"1704135"	293.077685	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+NH4+CF3COOH"	132.026685
"1644160"	298.03308	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+Na+CF3COOH"	136.98208
"1585278"	314.00702	"C20204"	"Entadamide A"	"C6H11NO2S"	"161.051"	"M+K+CF3COOH"	152.95602
"809081"	372.1937	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M"	0
"984802"	353.17531	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-H2O-H"	-19.01839
"68668"	247.121857333333	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M-3H"	-3.021828
"507134"	371.186424	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M-3H"	-3.021828
"893687"	123.057290666667	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-3H"	-3.021828
"6793"	371.186424	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M-2H"	-2.014552
"441732"	557.283274	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M-2H"	-2.014552
"830722"	185.089574	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-2H"	-2.014552
"93841"	743.380124	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M-H"	-1.007276
"533562"	1115.573824	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M-H"	-1.007276
"905886"	371.186424	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-H"	-1.007276
"58078"	760.406671	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M-2H+NH4"	16.019271
"499829"	1132.600371	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M-2H+NH4"	16.019271
"878727"	388.212971	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-2H+NH4"	16.019271
"45171"	765.362066	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M-2H+Na"	20.974666
"484850"	1137.555766	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M-2H+Na"	20.974666
"863138"	393.168366	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-2H+Na"	20.974666
"1633036"	393.168366	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Na-2H"	20.974666
"103489"	389.174763	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M-H+Cl"	33.962126
"545235"	575.271613	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M-H+Cl"	33.962126
"932195"	203.077913	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-H+Cl"	33.962126
"272942"	779.356802	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+Cl"	34.969402
"669739"	1151.550502	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+Cl"	34.969402
"1282143"	407.163102	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Cl"	34.969402
"23606"	781.336006	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M-2H+K"	36.948606
"464259"	1153.529706	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M-2H+K"	36.948606
"836595"	409.142306	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-2H+K"	36.948606
"1558989"	409.142306	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+K-2H"	36.948606
"946871"	417.191894	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-H+HCOOH"	44.998194
"372744"	789.385601	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+HCOOH-H"	44.998201
"347879"	803.401251	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+Hac-H"	59.013851
"1495618"	431.207551	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Hac-H"	59.013851
"959061"	439.173851	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-H+NaCOOH"	66.980151
"110601"	407.163102	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+2Cl"	69.938804
"550164"	593.259952	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+2Cl"	69.938804
"1026988"	221.066252	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2Cl"	69.938804
"1254959"	451.112585	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Br"	78.918885
"1316313"	453.168572	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Cl+HCOOH"	80.974872
"1333447"	475.150529	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Cl+NaCOOH"	102.956829
"923772"	485.179286	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M-H+CF3COOH"	112.985586
"1300118"	521.155964	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Cl+CF3COOH"	148.962264
"1376819"	337.181024	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H-2H2O"	-35.012676
"1389941"	355.191	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H-H2O"	-17.0027
"288534"	745.394676	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+H"	1.007276
"677675"	1117.588376	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+H"	1.007276
"1352200"	373.200976	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H"	1.007276
"127275"	373.200976	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+2H"	2.014552
"567558"	559.297826	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+2H"	2.014552
"1039645"	187.104126	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2H"	2.014552
"209736"	249.136409333333	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+3H"	3.021828
"648202"	373.200976	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+3H"	3.021828
"1174717"	125.071842666667	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+3H"	3.021828
"435074"	762.421223	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+NH4"	18.033823
"796070"	1134.614923	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+NH4"	18.033823
"1691308"	390.227523	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+NH4"	18.033823
"345181"	381.7142495	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+H+NH4"	19.041099
"735288"	567.8110995	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+H+NH4"	19.041099
"1488014"	195.6173995	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H+NH4"	19.041099
"404507"	767.376618	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+Na"	22.989218
"767695"	1139.570318	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+Na"	22.989218
"1615791"	395.182918	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Na"	22.989218
"320358"	384.191947	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+H+Na"	23.996494
"720320"	570.288797	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+H+Na"	23.996494
"1467695"	198.095097	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H+Na"	23.996494
"1055473"	132.399156666667	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2H+Na"	25.00377
"1259337"	405.227186	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+CH3OH+H"	33.033486
"381191"	783.350558	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+K"	38.963158
"740728"	1155.544258	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+K"	38.963158
"1546425"	411.156858	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+K"	38.963158
"303601"	392.178917	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+H+K"	39.970434
"697122"	578.275767	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+H+K"	39.970434
"1445992"	206.082067	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H+K"	39.970434
"250123"	786.421226	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+ACN+H"	42.033826
"1221373"	414.227526	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+ACN+H"	42.033826
"1207079"	207.617401	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+ACN+2H"	43.041102
"192293"	789.35856	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+2Na-H"	44.97116
"636226"	1161.55226	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+2Na-H"	44.97116
"1136451"	417.16486	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2Na-H"	44.97116
"179743"	395.182918	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+2Na"	45.978436
"627210"	581.279768	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+2Na"	45.978436
"1130476"	209.086068	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2Na"	45.978436
"1410349"	139.726470666667	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H+2Na"	46.985712
"1441737"	419.206446	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H+HCOOH"	47.012746
"232163"	400.21594	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+3H2O+2H"	56.04448
"1516210"	433.25849	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+IsoProp+H"	61.06479
"413710"	403.169888	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+Na+K"	61.952376
"775799"	589.266738	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+Na+K"	61.952376
"1667751"	217.073038	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Na+K"	61.952376
"259740"	808.403168	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+ACN+Na"	64.015768
"1231356"	436.209468	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+ACN+Na"	64.015768
"1724254"	436.232993	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+NH4+HCOOH"	64.039293
"1189972"	147.053784666667	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+3Na"	68.967654
"1654403"	441.188388	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Na+HCOOH"	68.994688
"163818"	821.30644	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+2K-H"	76.91904
"603014"	1193.50014	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+2K-H"	76.91904
"1091537"	449.11274	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2K-H"	76.91904
"152365"	411.156858	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"2M+2K"	77.926316
"592290"	597.253708	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"3M+2K"	77.926316
"1072797"	225.060008	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2K"	77.926316
"1104912"	451.127292	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2K+H"	78.933592
"1342393"	451.214907	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+DMSO+H"	79.021207
"1009830"	455.254076	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2ACN+H"	83.060376
"1529047"	456.247708	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+IsoProp+Na+H"	84.054008
"997683"	228.130676	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+2ACN+2H"	84.067652
"1594373"	457.162328	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+K+HCOOH"	84.968628
"1417847"	487.193838	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+H+CF3COOH"	115.000138
"1152509"	248.643951	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+3ACN+2H"	125.094202
"1707525"	504.220385	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+NH4+CF3COOH"	132.026685
"1647551"	509.17578	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+Na+CF3COOH"	136.98208
"1585388"	525.14972	"C20205"	"Tanabalin"	"C22H28O5"	"372.1937"	"M+K+CF3COOH"	152.95602
"805911"	460.2097	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M"	0
"988191"	441.19131	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-H2O-H"	-19.01839
"70965"	305.799190666667	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M-3H"	-3.021828
"506150"	459.202424	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M-3H"	-3.021828
"893432"	152.395957333333	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-3H"	-3.021828
"5809"	459.202424	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M-2H"	-2.014552
"440995"	689.307274	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M-2H"	-2.014552
"830832"	229.097574	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-2H"	-2.014552
"88634"	919.412124	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M-H"	-1.007276
"522727"	1379.621824	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M-H"	-1.007276
"903809"	459.202424	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-H"	-1.007276
"53814"	936.438671	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M-2H+NH4"	16.019271
"499939"	1396.648371	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M-2H+NH4"	16.019271
"876647"	476.228971	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-2H+NH4"	16.019271
"46254"	941.394066	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M-2H+Na"	20.974666
"485202"	1401.603766	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M-2H+Na"	20.974666
"861910"	481.184366	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-2H+Na"	20.974666
"1631442"	481.184366	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Na-2H"	20.974666
"107976"	477.190763	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M-H+Cl"	33.962126
"546440"	707.295613	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M-H+Cl"	33.962126
"934492"	247.085913	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-H+Cl"	33.962126
"273052"	955.388802	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+Cl"	34.969402
"663288"	1415.598502	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+Cl"	34.969402
"1280066"	495.179102	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Cl"	34.969402
"23716"	957.368006	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M-2H+K"	36.948606
"464370"	1417.577706	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M-2H+K"	36.948606
"838892"	497.158306	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-2H+K"	36.948606
"1564566"	497.158306	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+K-2H"	36.948606
"950261"	505.207894	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-H+HCOOH"	44.998194
"369574"	965.417601	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+HCOOH-H"	44.998201
"346651"	979.433251	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+Hac-H"	59.013851
"1500102"	519.223551	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Hac-H"	59.013851
"959379"	527.189851	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-H+NaCOOH"	66.980151
"111081"	495.179102	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+2Cl"	69.938804
"553193"	725.283952	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+2Cl"	69.938804
"1027098"	265.074252	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2Cl"	69.938804
"1249967"	539.128585	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Br"	78.918885
"1314601"	541.184572	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Cl+HCOOH"	80.974872
"1332098"	563.166529	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Cl+NaCOOH"	102.956829
"923153"	573.195286	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M-H+CF3COOH"	112.985586
"1299863"	609.171964	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Cl+CF3COOH"	148.962264
"1374743"	425.197024	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H-2H2O"	-35.012676
"1387864"	443.207	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H-H2O"	-17.0027
"288644"	921.426676	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+H"	1.007276
"678878"	1381.636376	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+H"	1.007276
"1351819"	461.216976	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H"	1.007276
"128109"	461.216976	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+2H"	2.014552
"567668"	691.321826	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+2H"	2.014552
"1038292"	231.112126	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2H"	2.014552
"209479"	307.813742666667	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+3H"	3.021828
"650499"	461.216976	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+3H"	3.021828
"1176164"	154.410509333333	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+3H"	3.021828
"437007"	938.453223	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+NH4"	18.033823
"799460"	1398.662923	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+NH4"	18.033823
"1691418"	478.243523	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+NH4"	18.033823
"345617"	469.7302495	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+H+NH4"	19.041099
"738316"	699.8350995	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+H+NH4"	19.041099
"1487031"	239.6253995	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H+NH4"	19.041099
"404617"	943.408618	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+Na"	22.989218
"769263"	1403.618318	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+Na"	22.989218
"1617724"	483.198918	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Na"	22.989218
"320468"	472.207947	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+H+Na"	23.996494
"720551"	702.312797	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+H+Na"	23.996494
"1465618"	242.103097	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H+Na"	23.996494
"1055584"	161.737823333333	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2H+Na"	25.00377
"1259447"	493.243186	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+CH3OH+H"	33.033486
"382396"	959.382558	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+K"	38.963158
"746672"	1419.592258	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+K"	38.963158
"1547627"	499.172858	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+K"	38.963158
"305899"	480.194917	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+H+K"	39.970434
"695046"	710.299767	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+H+K"	39.970434
"1447770"	250.090067	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H+K"	39.970434
"250233"	962.453226	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+ACN+H"	42.033826
"1222942"	502.243526	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+ACN+H"	42.033826
"1207555"	251.625401	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+ACN+2H"	43.041102
"200057"	965.39056	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+2Na-H"	44.97116
"639617"	1425.60026	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+2Na-H"	44.97116
"1136925"	505.18086	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2Na-H"	44.97116
"184227"	483.198918	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+2Na"	45.978436
"627443"	713.303768	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+2Na"	45.978436
"1129127"	253.094068	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2Na"	45.978436
"1411552"	169.065137333333	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H+2Na"	46.985712
"1442934"	507.222446	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H+HCOOH"	47.012746
"229351"	488.23194	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+3H2O+2H"	56.04448
"1517413"	521.27449	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+IsoProp+H"	61.06479
"416006"	491.185888	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+Na+K"	61.952376
"774451"	721.290738	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+Na+K"	61.952376
"1668590"	261.081038	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Na+K"	61.952376
"254381"	984.435168	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+ACN+Na"	64.015768
"1231466"	524.225468	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+ACN+Na"	64.015768
"1724726"	524.248993	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+NH4+HCOOH"	64.039293
"1187893"	176.392451333333	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+3Na"	68.967654
"1654513"	529.204388	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Na+HCOOH"	68.994688
"165749"	997.33844	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+2K-H"	76.91904
"605310"	1457.54814	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+2K-H"	76.91904
"1094197"	537.12874	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2K-H"	76.91904
"153204"	499.172858	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"2M+2K"	77.926316
"593129"	729.277708	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"3M+2K"	77.926316
"1074000"	269.068008	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2K"	77.926316
"1102835"	539.143292	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2K+H"	78.933592
"1337762"	539.230907	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+DMSO+H"	79.021207
"1008846"	543.270076	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2ACN+H"	83.060376
"1526970"	544.263708	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+IsoProp+Na+H"	84.054008
"994511"	272.138676	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+2ACN+2H"	84.067652
"1592295"	545.178328	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+K+HCOOH"	84.968628
"1416863"	575.209838	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+H+CF3COOH"	115.000138
"1148608"	292.651951	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+3ACN+2H"	125.094202
"1706542"	592.236385	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+NH4+CF3COOH"	132.026685
"1648755"	597.19178	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+Na+CF3COOH"	136.98208
"1585498"	613.16572	"C20206"	"Albaspidin BB"	"C25H32O8"	"460.2097"	"M+K+CF3COOH"	152.95602
"806021"	252.0998	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M"	0
"982834"	233.08141	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-H2O-H"	-19.01839
"65608"	167.059257333333	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M-3H"	-3.021828
"503007"	251.092524	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M-3H"	-3.021828
"893906"	83.0259906666667	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-3H"	-3.021828
"5919"	251.092524	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M-2H"	-2.014552
"440739"	377.142424	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M-2H"	-2.014552
"831793"	125.042624	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-2H"	-2.014552
"91296"	503.192324	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M-H"	-1.007276
"526117"	755.292124	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M-H"	-1.007276
"903919"	251.092524	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-H"	-1.007276
"59392"	520.218871	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M-2H+NH4"	16.019271
"500049"	772.318671	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M-2H+NH4"	16.019271
"878944"	268.119071	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-2H+NH4"	16.019271
"46608"	525.174266	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M-2H+Na"	20.974666
"484218"	777.274066	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M-2H+Na"	20.974666
"859833"	273.074466	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-2H+Na"	20.974666
"1631552"	273.074466	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Na-2H"	20.974666
"105897"	269.080863	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M-H+Cl"	33.962126
"541083"	395.130763	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M-H+Cl"	33.962126
"933509"	143.030963	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-H+Cl"	33.962126
"269882"	539.169002	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+Cl"	34.969402
"663762"	791.268802	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+Cl"	34.969402
"1280176"	287.069202	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Cl"	34.969402
"20545"	541.148206	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M-2H+K"	36.948606
"461198"	793.248006	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M-2H+K"	36.948606
"839002"	289.048406	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-2H+K"	36.948606
"1564676"	289.048406	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+K-2H"	36.948606
"950371"	297.097994	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-H+HCOOH"	44.998194
"369684"	549.197801	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+HCOOH-H"	44.998201
"349556"	563.213451	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+Hac-H"	59.013851
"1501305"	311.113651	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Hac-H"	59.013851
"959368"	319.079951	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-H+NaCOOH"	66.980151
"111189"	287.069202	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+2Cl"	69.938804
"552210"	413.119102	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+2Cl"	69.938804
"1027208"	161.019302	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2Cl"	69.938804
"1253357"	331.018685	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Br"	78.918885
"1315805"	333.074672	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Cl+HCOOH"	80.974872
"1332207"	355.056629	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Cl+NaCOOH"	102.956829
"922170"	365.085386	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M-H+CF3COOH"	112.985586
"1300338"	401.062064	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Cl+CF3COOH"	148.962264
"1373760"	217.087124	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H-2H2O"	-35.012676
"1386881"	235.0971	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H-H2O"	-17.0027
"285474"	505.206876	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+H"	1.007276
"678988"	757.306676	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+H"	1.007276
"1352050"	253.107076	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H"	1.007276
"127490"	253.107076	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+2H"	2.014552
"567779"	379.156976	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+2H"	2.014552
"1039864"	127.057176	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2H"	2.014552
"207037"	169.073809333333	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+3H"	3.021828
"647691"	253.107076	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+3H"	3.021828
"1175667"	85.0405426666667	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+3H"	3.021828
"436753"	522.233423	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+NH4"	18.033823
"795926"	774.333223	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+NH4"	18.033823
"1689341"	270.133623	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+NH4"	18.033823
"344180"	261.6203495	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+H+NH4"	19.041099
"737696"	387.6702495	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+H+NH4"	19.041099
"1487141"	135.5704495	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H+NH4"	19.041099
"403634"	527.188818	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+Na"	22.989218
"769699"	779.288618	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+Na"	22.989218
"1613822"	275.089018	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Na"	22.989218
"322764"	264.098047	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+H+Na"	23.996494
"717371"	390.147947	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+H+Na"	23.996494
"1470102"	138.048147	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H+Na"	23.996494
"1057880"	92.3678566666667	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2H+Na"	25.00377
"1262839"	285.133286	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+CH3OH+H"	33.033486
"381414"	543.162758	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+K"	38.963158
"748969"	795.262558	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+K"	38.963158
"1547739"	291.062958	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+K"	38.963158
"306010"	272.085017	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+H+K"	39.970434
"694063"	398.134917	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+H+K"	39.970434
"1447882"	146.035117	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H+K"	39.970434
"250343"	546.233426	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+ACN+H"	42.033826
"1223780"	294.133626	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+ACN+H"	42.033826
"1207298"	147.570451	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+ACN+2H"	43.041102
"200167"	549.17076	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+2Na-H"	44.97116
"641913"	801.27056	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+2Na-H"	44.97116
"1136671"	297.07096	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2Na-H"	44.97116
"184337"	275.089018	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+2Na"	45.978436
"624991"	401.138918	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+2Na"	45.978436
"1131015"	149.039118	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2Na"	45.978436
"1413608"	99.6951706666667	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H+2Na"	46.985712
"1443045"	299.112546	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H+HCOOH"	47.012746
"231284"	280.12204	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+3H2O+2H"	56.04448
"1521533"	313.16459	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+IsoProp+H"	61.06479
"415025"	283.075988	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+Na+K"	61.952376
"773832"	409.125888	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+Na+K"	61.952376
"1669795"	157.026088	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Na+K"	61.952376
"256679"	568.215368	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+ACN+Na"	64.015768
"1231574"	316.115568	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+ACN+Na"	64.015768
"1720462"	316.139093	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+NH4+HCOOH"	64.039293
"1186909"	107.022484666667	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+3Na"	68.967654
"1654623"	321.094488	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Na+HCOOH"	68.994688
"164766"	581.11864	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+2K-H"	76.91904
"604327"	833.21844	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+2K-H"	76.91904
"1092121"	329.01884	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2K-H"	76.91904
"153314"	291.062958	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"2M+2K"	77.926316
"595791"	417.112858	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"3M+2K"	77.926316
"1074111"	165.013058	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2K"	77.926316
"1107319"	331.033392	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2K+H"	78.933592
"1337142"	331.121007	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+DMSO+H"	79.021207
"1009320"	335.160176	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2ACN+H"	83.060376
"1528174"	336.153808	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+IsoProp+Na+H"	84.054008
"997902"	168.083726	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+2ACN+2H"	84.067652
"1594592"	337.068428	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+K+HCOOH"	84.968628
"1420252"	367.099938	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+H+CF3COOH"	115.000138
"1152729"	188.597001	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+3ACN+2H"	125.094202
"1703372"	384.126485	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+NH4+CF3COOH"	132.026685
"1648865"	389.08188	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+Na+CF3COOH"	136.98208
"1585608"	405.05582	"C20207"	"Grandinol"	"C13H16O5"	"252.0998"	"M+K+CF3COOH"	152.95602
"811599"	302.2246	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M"	0
"984038"	283.20621	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-H2O-H"	-19.01839
"74466"	200.475790666667	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M-3H"	-3.021828
"512933"	301.217324	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M-3H"	-3.021828
"887455"	99.7342573333333	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-3H"	-3.021828
"6029"	301.217324	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M-2H"	-2.014552
"440315"	452.329624	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M-2H"	-2.014552
"832596"	150.105024	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-2H"	-2.014552
"94208"	603.441924	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M-H"	-1.007276
"532184"	905.666524	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M-H"	-1.007276
"908892"	301.217324	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-H"	-1.007276
"61090"	620.468471	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+NH4"	16.019271
"501863"	922.693071	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+NH4"	16.019271
"879547"	318.243871	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-2H+NH4"	16.019271
"47046"	625.423866	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+Na"	20.974666
"486971"	927.648466	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+Na"	20.974666
"862137"	323.199266	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-2H+Na"	20.974666
"1632521"	323.199266	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Na-2H"	20.974666
"104914"	319.205663	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M-H+Cl"	33.962126
"541193"	470.317963	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M-H+Cl"	33.962126
"935808"	168.093363	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-H+Cl"	33.962126
"275460"	639.418602	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+Cl"	34.969402
"666788"	941.643202	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+Cl"	34.969402
"1285754"	337.194002	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Cl"	34.969402
"23936"	641.397806	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M-2H+K"	36.948606
"461308"	943.622406	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M-2H+K"	36.948606
"847133"	339.173206	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-2H+K"	36.948606
"1565880"	339.173206	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+K-2H"	36.948606
"947201"	347.222794	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-H+HCOOH"	44.998194
"372713"	649.447401	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+HCOOH-H"	44.998201
"355502"	663.463051	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+Hac-H"	59.013851
"1506157"	361.238451	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Hac-H"	59.013851
"968594"	369.204751	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-H+NaCOOH"	66.980151
"121144"	337.194002	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+2Cl"	69.938804
"561800"	488.306302	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+2Cl"	69.938804
"1033881"	186.081702	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2Cl"	69.938804
"1254926"	381.143485	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Br"	78.918885
"1319074"	383.199472	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+HCOOH"	80.974872
"1333048"	405.181429	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+NaCOOH"	102.956829
"922280"	415.210186	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M-H+CF3COOH"	112.985586
"1300812"	451.186864	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Cl+CF3COOH"	148.962264
"1379339"	267.211924	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H-2H2O"	-35.012676
"1389178"	285.2219	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H-H2O"	-17.0027
"291052"	605.456476	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+H"	1.007276
"684568"	907.681076	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+H"	1.007276
"1352532"	303.231876	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H"	1.007276
"127605"	303.231876	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+2H"	2.014552
"570084"	454.344176	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+2H"	2.014552
"1039977"	152.119576	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2H"	2.014552
"206783"	202.490342666667	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+3H"	3.021828
"648530"	303.231876	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+3H"	3.021828
"1175777"	101.748809333333	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+3H"	3.021828
"433949"	622.483023	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+NH4"	18.033823
"798953"	924.707623	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+NH4"	18.033823
"1695285"	320.258423	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+NH4"	18.033823
"344294"	311.7451495	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+H+NH4"	19.041099
"736348"	462.8574495	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+H+NH4"	19.041099
"1487251"	160.6328495	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H+NH4"	19.041099
"403744"	627.438418	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+Na"	22.989218
"769484"	929.663018	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+Na"	22.989218
"1615391"	325.213818	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Na"	22.989218
"324699"	314.222847	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+H+Na"	23.996494
"714201"	465.335147	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+H+Na"	23.996494
"1472402"	163.110547	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H+Na"	23.996494
"1060181"	109.076123333333	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2H+Na"	25.00377
"1265138"	335.258086	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+CH3OH+H"	33.033486
"382619"	643.412358	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+K"	38.963158
"744707"	945.636958	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+K"	38.963158
"1547851"	341.187758	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+K"	38.963158
"306121"	322.209817	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+H+K"	39.970434
"706993"	473.322117	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+H+K"	39.970434
"1451276"	171.097517	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H+K"	39.970434
"244255"	646.483026	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+ACN+H"	42.033826
"1220974"	344.258426	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+H"	42.033826
"1207775"	172.632851	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+2H"	43.041102
"196998"	649.42036	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+2Na-H"	44.97116
"637652"	951.64496	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+2Na-H"	44.97116
"1143344"	347.19576	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2Na-H"	44.97116
"182260"	325.213818	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+2Na"	45.978436
"624009"	476.326118	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+2Na"	45.978436
"1127154"	174.101518	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2Na"	45.978436
"1409950"	116.403437333333	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H+2Na"	46.985712
"1436594"	349.237346	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H+HCOOH"	47.012746
"227018"	330.24684	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+3H2O+2H"	56.04448
"1518730"	363.28939	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+IsoProp+H"	61.06479
"415136"	333.200788	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+Na+K"	61.952376
"777224"	484.313088	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+Na+K"	61.952376
"1669906"	182.088488	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Na+K"	61.952376
"256060"	668.464968	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+ACN+Na"	64.015768
"1229136"	366.240368	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+ACN+Na"	64.015768
"1717293"	366.263893	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+NH4+HCOOH"	64.039293
"1184105"	123.730751333333	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+3Na"	68.967654
"1659108"	371.219288	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Na+HCOOH"	68.994688
"171077"	681.36824	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+2K-H"	76.91904
"612343"	983.59284	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+2K-H"	76.91904
"1096607"	379.14364	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2K-H"	76.91904
"154152"	341.187758	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"2M+2K"	77.926316
"595662"	492.300058	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"3M+2K"	77.926316
"1073128"	190.075458	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2K"	77.926316
"1108523"	381.158192	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2K+H"	78.933592
"1339441"	381.245807	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+DMSO+H"	79.021207
"1009431"	385.284976	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2ACN+H"	83.060376
"1533751"	386.278608	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+IsoProp+Na+H"	84.054008
"998012"	193.146126	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+2ACN+2H"	84.067652
"1596889"	387.193228	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+K+HCOOH"	84.968628
"1424736"	417.224738	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+H+CF3COOH"	115.000138
"1156119"	213.659401	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+3ACN+2H"	125.094202
"1703482"	434.251285	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+NH4+CF3COOH"	132.026685
"1649341"	439.20668	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+Na+CF3COOH"	136.98208
"1585718"	455.18062	"C20208"	"syn-Stemoden-19-oate"	"C20H30O2"	"302.2246"	"M+K+CF3COOH"	152.95602
"806241"	199.9957	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M"	0
"983054"	180.97731	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-H2O-H"	-19.01839
"65828"	132.323190666667	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M-3H"	-3.021828
"505387"	198.988424	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M-3H"	-3.021828
"884285"	65.6579573333333	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-3H"	-3.021828
"2859"	198.988424	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M-2H"	-2.014552
"440955"	298.986274	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M-2H"	-2.014552
"831404"	98.990574	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-2H"	-2.014552
"88964"	398.984124	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M-H"	-1.007276
"527430"	598.979824	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M-H"	-1.007276
"904139"	198.988424	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-H"	-1.007276
"62460"	416.010671	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M-2H+NH4"	16.019271
"501610"	616.006371	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M-2H+NH4"	16.019271
"879730"	216.014971	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-2H+NH4"	16.019271
"46673"	420.966066	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M-2H+Na"	20.974666
"486635"	620.961766	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M-2H+Na"	20.974666
"863222"	220.970366	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-2H+Na"	20.974666
"1632990"	220.970366	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Na-2H"	20.974666
"105024"	216.976763	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M-H+Cl"	33.962126
"540210"	316.974613	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M-H+Cl"	33.962126
"934825"	116.978913	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-H+Cl"	33.962126
"273383"	434.960802	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+Cl"	34.969402
"666898"	634.956502	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+Cl"	34.969402
"1284771"	234.965102	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Cl"	34.969402
"24046"	436.940006	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M-2H+K"	36.948606
"460325"	636.935706	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M-2H+K"	36.948606
"842502"	236.944306	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-2H+K"	36.948606
"1567083"	236.944306	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+K-2H"	36.948606
"946216"	244.993894	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-H+HCOOH"	44.998194
"372822"	444.989601	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+HCOOH-H"	44.998201
"355976"	459.005251	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+Hac-H"	59.013851
"1505538"	259.009551	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Hac-H"	59.013851
"969068"	266.975851	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-H+NaCOOH"	66.980151
"121254"	234.965102	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+2Cl"	69.938804
"560816"	334.962952	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+2Cl"	69.938804
"1032898"	134.967252	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2Cl"	69.938804
"1255768"	278.914585	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Br"	78.918885
"1319305"	280.970572	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Cl+HCOOH"	80.974872
"1335106"	302.952529	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Cl+NaCOOH"	102.956829
"925919"	312.981286	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M-H+CF3COOH"	112.985586
"1301652"	348.957964	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Cl+CF3COOH"	148.962264
"1376898"	164.983024	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H-2H2O"	-35.012676
"1394756"	182.993	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H-H2O"	-17.0027
"292256"	400.998676	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+H"	1.007276
"685771"	600.994376	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+H"	1.007276
"1355559"	201.002976	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H"	1.007276
"128445"	201.002976	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+2H"	2.014552
"570558"	301.000826	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+2H"	2.014552
"1041180"	101.005126	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2H"	2.014552
"207257"	134.337742666667	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+3H"	3.021828
"650827"	201.002976	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+3H"	3.021828
"1176010"	67.6725093333333	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+3H"	3.021828
"436246"	418.025223	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+NH4"	18.033823
"798699"	618.020923	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+NH4"	18.033823
"1694303"	218.029523	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+NH4"	18.033823
"342217"	209.5162495	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+H+NH4"	19.041099
"735364"	309.5140995	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+H+NH4"	19.041099
"1487361"	109.5183995	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H+NH4"	19.041099
"404583"	422.980618	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+Na"	22.989218
"767407"	622.976318	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+Na"	22.989218
"1615139"	222.984918	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Na"	22.989218
"322983"	211.993947	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+H+Na"	23.996494
"718684"	311.991797	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+H+Na"	23.996494
"1472876"	111.996097	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H+Na"	23.996494
"1060291"	74.9998233333333	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2H+Na"	25.00377
"1265248"	233.029186	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+CH3OH+H"	33.033486
"382729"	438.954558	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+K"	38.963158
"747003"	638.950258	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+K"	38.963158
"1545774"	238.958858	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+K"	38.963158
"302950"	219.980917	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+H+K"	39.970434
"703766"	319.978767	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+H+K"	39.970434
"1451386"	119.983067	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H+K"	39.970434
"243271"	442.025226	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+ACN+H"	42.033826
"1215980"	242.029526	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+ACN+H"	42.033826
"1199864"	121.518401	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+ACN+2H"	43.041102
"192733"	444.96256	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+2Na-H"	44.97116
"637761"	644.95826	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+2Na-H"	44.97116
"1142359"	244.96686	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2Na-H"	44.97116
"179090"	222.984918	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+2Na"	45.978436
"623025"	322.982768	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+2Na"	45.978436
"1129086"	122.987068	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2Na"	45.978436
"1411762"	82.3271373333333	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H+2Na"	46.985712
"1436704"	247.008446	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H+HCOOH"	47.012746
"225307"	228.01794	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+3H2O+2H"	56.04448
"1515560"	261.06049	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+IsoProp+H"	61.06479
"413059"	230.971888	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+Na+K"	61.952376
"777334"	330.969738	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+Na+K"	61.952376
"1670016"	130.974038	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Na+K"	61.952376
"254346"	464.007168	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+ACN+Na"	64.015768
"1229246"	264.011468	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+ACN+Na"	64.015768
"1718131"	264.034993	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+NH4+HCOOH"	64.039293
"1183120"	89.6544513333333	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+3Na"	68.967654
"1660311"	268.990388	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Na+HCOOH"	68.994688
"170822"	476.91044	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+2K-H"	76.91904
"612534"	676.90614	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+2K-H"	76.91904
"1096716"	276.91474	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2K-H"	76.91904
"154262"	238.958858	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"2M+2K"	77.926316
"596018"	338.956708	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"3M+2K"	77.926316
"1081985"	138.961008	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2K"	77.926316
"1111913"	278.929292	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2K+H"	78.933592
"1342831"	279.016907	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+DMSO+H"	79.021207
"1015737"	283.056076	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2ACN+H"	83.060376
"1531674"	284.049708	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+IsoProp+Na+H"	84.054008
"1000309"	142.031676	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+2ACN+2H"	84.067652
"1599186"	284.964328	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+K+HCOOH"	84.968628
"1424847"	314.995838	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+H+CF3COOH"	115.000138
"1156229"	162.544951	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+3ACN+2H"	125.094202
"1706872"	332.022385	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+NH4+CF3COOH"	132.026685
"1649695"	336.97778	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+Na+CF3COOH"	136.98208
"1585828"	352.95172	"C20209"	"Meconic acid;Poppy acid"	"C7H4O7"	"199.9957"	"M+K+CF3COOH"	152.95602
"806351"	206.0579	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M"	0
"983164"	187.03951	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-H2O-H"	-19.01839
"69218"	136.364657333333	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M-3H"	-3.021828
"504404"	205.050624	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M-3H"	-3.021828
"884395"	67.6786906666667	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-3H"	-3.021828
"2239"	205.050624	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M-2H"	-2.014552
"440170"	308.079574	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M-2H"	-2.014552
"826895"	102.021674	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-2H"	-2.014552
"89074"	411.108524	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M-H"	-1.007276
"525354"	617.166424	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M-H"	-1.007276
"904249"	205.050624	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-H"	-1.007276
"62409"	428.135071	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M-2H+NH4"	16.019271
"502376"	634.192971	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M-2H+NH4"	16.019271
"879047"	222.077171	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-2H+NH4"	16.019271
"46459"	433.090466	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M-2H+Na"	20.974666
"486382"	639.148366	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M-2H+Na"	20.974666
"863574"	227.032566	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-2H+Na"	20.974666
"1630789"	227.032566	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Na-2H"	20.974666
"106227"	223.038963	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M-H+Cl"	33.962126
"543600"	326.067913	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M-H+Cl"	33.962126
"936020"	120.010013	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-H+Cl"	33.962126
"275681"	447.085202	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+Cl"	34.969402
"667008"	653.143102	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+Cl"	34.969402
"1282695"	241.027302	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Cl"	34.969402
"26343"	449.064406	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M-2H+K"	36.948606
"463715"	655.122306	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M-2H+K"	36.948606
"844799"	243.006506	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-2H+K"	36.948606
"1567193"	243.006506	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+K-2H"	36.948606
"946326"	251.056094	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-H+HCOOH"	44.998194
"374755"	457.114001	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+HCOOH-H"	44.998201
"358274"	471.129651	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+Hac-H"	59.013851
"1506377"	265.071751	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Hac-H"	59.013851
"970637"	273.038051	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-H+NaCOOH"	66.980151
"118084"	241.027302	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+2Cl"	69.938804
"563480"	344.056252	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+2Cl"	69.938804
"1036655"	137.998352	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2Cl"	69.938804
"1253688"	284.976785	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Br"	78.918885
"1316135"	287.032772	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Cl+HCOOH"	80.974872
"1334360"	309.014729	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Cl+NaCOOH"	102.956829
"922501"	319.043486	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M-H+CF3COOH"	112.985586
"1301762"	355.020164	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Cl+CF3COOH"	148.962264
"1379923"	171.045224	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H-2H2O"	-35.012676
"1390493"	189.0552	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H-H2O"	-17.0027
"289086"	413.123076	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+H"	1.007276
"681507"	619.180976	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+H"	1.007276
"1352753"	207.065176	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H"	1.007276
"132932"	207.065176	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+2H"	2.014552
"576866"	310.094126	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+2H"	2.014552
"1042019"	104.036226	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2H"	2.014552
"207367"	138.379209333333	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+3H"	3.021828
"652032"	207.065176	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+3H"	3.021828
"1175268"	69.6932426666667	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+3H"	3.021828
"438546"	430.149623	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+NH4"	18.033823
"800148"	636.207523	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+NH4"	18.033823
"1694780"	224.091723	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+NH4"	18.033823
"344516"	215.5784495	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+H+NH4"	19.041099
"736569"	318.6073995	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+H+NH4"	19.041099
"1487471"	112.5494995	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H+NH4"	19.041099
"402871"	435.105018	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+Na"	22.989218
"768610"	641.162918	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+Na"	22.989218
"1615250"	229.047118	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Na"	22.989218
"324187"	218.056147	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+H+Na"	23.996494
"719888"	321.085097	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+H+Na"	23.996494
"1474445"	115.027197	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H+Na"	23.996494
"1062953"	77.0205566666667	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2H+Na"	25.00377
"1270464"	239.091386	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+CH3OH+H"	33.033486
"383933"	451.078958	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+K"	38.963158
"751489"	657.136858	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+K"	38.963158
"1552081"	245.021058	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+K"	38.963158
"305247"	226.043117	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+H+K"	39.970434
"703148"	329.072067	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+H+K"	39.970434
"1450403"	123.014167	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H+K"	39.970434
"244475"	454.149626	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+ACN+H"	42.033826
"1218277"	248.091726	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+ACN+H"	42.033826
"1205442"	124.549501	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+ACN+2H"	43.041102
"197218"	457.08696	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+2Na-H"	44.97116
"641518"	663.14486	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+2Na-H"	44.97116
"1143200"	251.02906	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2Na-H"	44.97116
"186004"	229.047118	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+2Na"	45.978436
"623501"	332.076068	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+2Na"	45.978436
"1126646"	126.018168	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2Na"	45.978436
"1411262"	84.3478706666667	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H+2Na"	46.985712
"1434629"	253.070646	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H+HCOOH"	47.012746
"229794"	234.08014	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+3H2O+2H"	56.04448
"1521868"	267.12269	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+IsoProp+H"	61.06479
"414263"	237.034088	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+Na+K"	61.952376
"777445"	340.063038	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+Na+K"	61.952376
"1667574"	134.005138	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Na+K"	61.952376
"254460"	476.131568	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+ACN+Na"	64.015768
"1229723"	270.073668	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+ACN+Na"	64.015768
"1714232"	270.097193	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+NH4+HCOOH"	64.039293
"1181408"	91.6751846666667	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+3Na"	68.967654
"1653127"	275.052588	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Na+HCOOH"	68.994688
"172153"	489.03484	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+2K-H"	76.91904
"610495"	695.09274	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+2K-H"	76.91904
"1096826"	282.97694	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2K-H"	76.91904
"150362"	245.021058	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"2M+2K"	77.926316
"596454"	348.050008	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"3M+2K"	77.926316
"1083188"	141.992108	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2K"	77.926316
"1114940"	284.991492	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2K+H"	78.933592
"1342941"	285.079107	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+DMSO+H"	79.021207
"1015847"	289.118276	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2ACN+H"	83.060376
"1535064"	290.111908	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+IsoProp+Na+H"	84.054008
"1000418"	145.062776	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+2ACN+2H"	84.067652
"1600389"	291.026528	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+K+HCOOH"	84.968628
"1419488"	321.058038	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+H+CF3COOH"	115.000138
"1159619"	165.576051	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+3ACN+2H"	125.094202
"1711359"	338.084585	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+NH4+CF3COOH"	132.026685
"1648468"	343.03998	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+Na+CF3COOH"	136.98208
"1585938"	359.01392	"C20210"	"Eugenin;2-Methyl-5-hydroxy-7-methoxychromone"	"C11H10O4"	"206.0579"	"M+K+CF3COOH"	152.95602
"806461"	312.1725	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M"	0
"979993"	293.15411	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-H2O-H"	-19.01839
"69328"	207.107724	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M-3H"	-3.021828
"509982"	311.165224	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M-3H"	-3.021828
"880289"	103.050224	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-3H"	-3.021828
"639"	311.165224	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M-2H"	-2.014552
"440442"	467.251474	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M-2H"	-2.014552
"827005"	155.078974	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-2H"	-2.014552
"91372"	623.337724	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M-H"	-1.007276
"528745"	935.510224	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M-H"	-1.007276
"904359"	311.165224	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-H"	-1.007276
"62677"	640.364271	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M-2H+NH4"	16.019271
"502652"	952.536771	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M-2H+NH4"	16.019271
"879752"	328.191771	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-2H+NH4"	16.019271
"46653"	645.319666	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M-2H+Na"	20.974666
"486979"	957.492166	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M-2H+Na"	20.974666
"864169"	333.147166	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-2H+Na"	20.974666
"1627619"	333.147166	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Na-2H"	20.974666
"107431"	329.153563	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M-H+Cl"	33.962126
"543710"	485.239813	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M-H+Cl"	33.962126
"932850"	173.067313	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-H+Cl"	33.962126
"271418"	659.314402	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+Cl"	34.969402
"667118"	971.486902	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+Cl"	34.969402
"1282805"	347.141902	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Cl"	34.969402
"25360"	661.293606	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M-2H+K"	36.948606
"463825"	973.466106	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M-2H+K"	36.948606
"844909"	349.121106	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-2H+K"	36.948606
"1567303"	349.121106	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+K-2H"	36.948606
"949717"	357.170694	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-H+HCOOH"	44.998194
"374865"	669.343201	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+HCOOH-H"	44.998201
"358019"	683.358851	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+Hac-H"	59.013851
"1506366"	371.186351	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Hac-H"	59.013851
"972691"	379.152651	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-H+NaCOOH"	66.980151
"121474"	347.141902	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+2Cl"	69.938804
"565577"	503.228152	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+2Cl"	69.938804
"1036402"	191.055652	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2Cl"	69.938804
"1253795"	391.091385	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Br"	78.918885
"1310048"	393.147372	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Cl+HCOOH"	80.974872
"1328273"	415.129329	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Cl+NaCOOH"	102.956829
"921518"	425.158086	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M-H+CF3COOH"	112.985586
"1302236"	461.134764	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Cl+CF3COOH"	148.962264
"1378574"	277.159824	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H-2H2O"	-35.012676
"1385499"	295.1698	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H-H2O"	-17.0027
"288101"	625.352276	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+H"	1.007276
"683803"	937.524776	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+H"	1.007276
"1355778"	313.179776	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H"	1.007276
"127572"	313.179776	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+2H"	2.014552
"568225"	469.266026	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+2H"	2.014552
"1042858"	157.093526	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2H"	2.014552
"208206"	209.122276	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+3H"	3.021828
"651049"	313.179776	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+3H"	3.021828
"1175378"	105.064776	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+3H"	3.021828
"437562"	642.378823	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+NH4"	18.033823
"799286"	954.551323	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+NH4"	18.033823
"1695981"	330.206323	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+NH4"	18.033823
"344867"	321.6930495	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+H+NH4"	19.041099
"737043"	477.7792995	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+H+NH4"	19.041099
"1486488"	165.6067995	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H+NH4"	19.041099
"402981"	647.334218	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+Na"	22.989218
"769084"	959.506718	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+Na"	22.989218
"1616815"	335.161718	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Na"	22.989218
"323205"	324.170747	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+H+Na"	23.996494
"719999"	480.256997	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+H+Na"	23.996494
"1475283"	168.084497	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H+Na"	23.996494
"1064521"	112.39209	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2H+Na"	25.00377
"1268750"	345.205986	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+CH3OH+H"	33.033486
"384043"	663.308158	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+K"	38.963158
"752694"	975.480658	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+K"	38.963158
"1551462"	351.135658	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+K"	38.963158
"309731"	332.157717	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+H+K"	39.970434
"702162"	488.243967	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+H+K"	39.970434
"1452700"	176.071467	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H+K"	39.970434
"242398"	666.378826	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+ACN+H"	42.033826
"1218387"	354.206326	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+ACN+H"	42.033826
"1205552"	177.606801	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+ACN+2H"	43.041102
"197328"	669.31616	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+2Na-H"	44.97116
"642965"	981.48866	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+2Na-H"	44.97116
"1143674"	357.14366	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2Na-H"	44.97116
"186963"	335.161718	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+2Na"	45.978436
"624339"	491.247968	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+2Na"	45.978436
"1126754"	179.075468	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2Na"	45.978436
"1408090"	119.719404	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H+2Na"	46.985712
"1439113"	359.185246	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H+HCOOH"	47.012746
"229904"	340.19474	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+3H2O+2H"	56.04448
"1516874"	373.23729	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+IsoProp+H"	61.06479
"414373"	343.148688	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+Na+K"	61.952376
"777555"	499.234938	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+Na+K"	61.952376
"1668048"	187.062438	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Na+K"	61.952376
"254933"	688.360768	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+ACN+Na"	64.015768
"1230927"	376.188268	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+ACN+Na"	64.015768
"1713249"	376.211793	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+NH4+HCOOH"	64.039293
"1182979"	127.046718	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+3Na"	68.967654
"1652874"	381.167188	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Na+HCOOH"	68.994688
"172141"	701.26404	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+2K-H"	76.91904
"611331"	1013.43654	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+2K-H"	76.91904
"1096936"	389.09154	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2K-H"	76.91904
"150472"	351.135658	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"2M+2K"	77.926316
"592220"	507.221908	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"3M+2K"	77.926316
"1083177"	195.049408	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2K"	77.926316
"1115527"	391.106092	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2K+H"	78.933592
"1341958"	391.193707	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+DMSO+H"	79.021207
"1018143"	395.232876	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2ACN+H"	83.060376
"1531894"	396.226508	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+IsoProp+Na+H"	84.054008
"1000528"	198.120076	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+2ACN+2H"	84.067652
"1600499"	397.141128	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+K+HCOOH"	84.968628
"1419598"	427.172638	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+H+CF3COOH"	115.000138
"1156448"	218.633351	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+3ACN+2H"	125.094202
"1711469"	444.199185	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+NH4+CF3COOH"	132.026685
"1648578"	449.15458	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+Na+CF3COOH"	136.98208
"1586048"	465.12852	"C20211"	"Yakuchinone A;Yakuchinone-A"	"C20H24O3"	"312.1725"	"M+K+CF3COOH"	152.95602
"806571"	318.2195	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M"	0
"983383"	299.20111	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-H2O-H"	-19.01839
"67251"	211.139057333333	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M-3H"	-3.021828
"510092"	317.212224	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M-3H"	-3.021828
"880601"	105.065890666667	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-3H"	-3.021828
"1728"	317.212224	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M-2H"	-2.014552
"440354"	476.321974	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M-2H"	-2.014552
"827115"	158.102474	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-2H"	-2.014552
"91118"	635.431724	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M-H"	-1.007276
"529948"	953.651224	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M-H"	-1.007276
"906656"	317.212224	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-H"	-1.007276
"62764"	652.458271	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M-2H+NH4"	16.019271
"502703"	970.677771	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M-2H+NH4"	16.019271
"878529"	334.238771	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-2H+NH4"	16.019271
"47105"	657.413666	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M-2H+Na"	20.974666
"486796"	975.633166	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M-2H+Na"	20.974666
"863991"	339.194166	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-2H+Na"	20.974666
"1632101"	339.194166	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Na-2H"	20.974666
"108511"	335.200563	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M-H+Cl"	33.962126
"546003"	494.310313	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M-H+Cl"	33.962126
"932957"	176.090813	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-H+Cl"	33.962126
"273714"	671.408402	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+Cl"	34.969402
"663948"	989.627902	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+Cl"	34.969402
"1284737"	353.188902	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Cl"	34.969402
"26563"	673.387606	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M-2H+K"	36.948606
"465028"	991.607106	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M-2H+K"	36.948606
"845019"	355.168106	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-2H+K"	36.948606
"1567413"	355.168106	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+K-2H"	36.948606
"947640"	363.217694	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-H+HCOOH"	44.998194
"374975"	681.437201	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+HCOOH-H"	44.998201
"358373"	695.452851	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+Hac-H"	59.013851
"1506232"	377.233351	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Hac-H"	59.013851
"972315"	385.199651	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-H+NaCOOH"	66.980151
"118304"	353.188902	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+2Cl"	69.938804
"563334"	512.298652	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+2Cl"	69.938804
"1036917"	194.079152	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2Cl"	69.938804
"1253906"	397.138385	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Br"	78.918885
"1313074"	399.194372	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Cl+HCOOH"	80.974872
"1329477"	421.176329	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Cl+NaCOOH"	102.956829
"921264"	431.205086	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M-H+CF3COOH"	112.985586
"1301253"	467.181764	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Cl+CF3COOH"	148.962264
"1378684"	283.206824	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H-2H2O"	-35.012676
"1393992"	301.2168	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H-H2O"	-17.0027
"293678"	637.446276	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+H"	1.007276
"682819"	955.665776	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+H"	1.007276
"1355888"	319.226776	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H"	1.007276
"128411"	319.226776	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+2H"	2.014552
"570887"	478.336526	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+2H"	2.014552
"1041145"	160.117026	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2H"	2.014552
"209046"	213.153609333333	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+3H"	3.021828
"648969"	319.226776	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+3H"	3.021828
"1175852"	107.080442666667	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+3H"	3.021828
"438037"	654.472823	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+NH4"	18.033823
"799031"	972.692323	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+NH4"	18.033823
"1694997"	336.253323	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+NH4"	18.033823
"344734"	327.7400495	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+H+NH4"	19.041099
"736788"	486.8497995	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+H+NH4"	19.041099
"1486598"	168.6302995	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H+NH4"	19.041099
"403091"	659.428218	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+Na"	22.989218
"761897"	977.647718	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+Na"	22.989218
"1609996"	341.208718	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Na"	22.989218
"324408"	330.217747	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+H+Na"	23.996494
"719017"	489.327497	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+H+Na"	23.996494
"1474663"	171.107997	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H+Na"	23.996494
"1058435"	114.407756666667	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2H+Na"	25.00377
"1263392"	351.252986	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+CH3OH+H"	33.033486
"381966"	675.402158	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+K"	38.963158
"744053"	993.621658	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+K"	38.963158
"1547200"	357.182658	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+K"	38.963158
"306563"	338.204717	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+H+K"	39.970434
"703365"	497.314467	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+H+K"	39.970434
"1454996"	179.094967	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H+K"	39.970434
"244697"	678.472826	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+ACN+H"	42.033826
"1222872"	360.253326	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+ACN+H"	42.033826
"1207850"	180.630301	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+ACN+2H"	43.041102
"202908"	681.41016	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+2Na-H"	44.97116
"640280"	999.62966	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+2Na-H"	44.97116
"1145852"	363.19066	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2Na-H"	44.97116
"187570"	341.208718	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+2Na"	45.978436
"627367"	500.318468	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+2Na"	45.978436
"1129052"	182.098968	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2Na"	45.978436
"1412212"	121.735070666667	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H+2Na"	46.985712
"1439225"	365.232246	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H+HCOOH"	47.012746
"230014"	346.24174	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+3H2O+2H"	56.04448
"1518075"	379.28429	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+IsoProp+H"	61.06479
"415576"	349.195688	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+Na+K"	61.952376
"778760"	508.305438	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+Na+K"	61.952376
"1670715"	190.085938	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Na+K"	61.952376
"256142"	700.454768	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+ACN+Na"	64.015768
"1232130"	382.235268	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+ACN+Na"	64.015768
"1715545"	382.258793	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+NH4+HCOOH"	64.039293
"1187462"	129.062384666667	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+3Na"	68.967654
"1652984"	387.214188	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Na+HCOOH"	68.994688
"172249"	713.35804	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+2K-H"	76.91904
"608161"	1031.57754	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+2K-H"	76.91904
"1092670"	395.13854	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2K-H"	76.91904
"149489"	357.182658	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"2M+2K"	77.926316
"593423"	516.292408	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"3M+2K"	77.926316
"1083291"	198.072908	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2K"	77.926316
"1114187"	397.153092	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2K+H"	78.933592
"1347535"	397.240707	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+DMSO+H"	79.021207
"1019714"	401.279876	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2ACN+H"	83.060376
"1535284"	402.273508	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+IsoProp+Na+H"	84.054008
"1000638"	201.143576	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+2ACN+2H"	84.067652
"1600609"	403.188128	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+K+HCOOH"	84.968628
"1419708"	433.219638	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+H+CF3COOH"	115.000138
"1153278"	221.656851	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+3ACN+2H"	125.094202
"1711457"	450.246185	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+NH4+CF3COOH"	132.026685
"1648322"	455.20158	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+Na+CF3COOH"	136.98208
"1586158"	471.17552	"C20212"	"Steviol"	"C20H30O3"	"318.2195"	"M+K+CF3COOH"	152.95602
"814336"	596.4652	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M"	0
"980213"	577.44681	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-H2O-H"	-19.01839
"63189"	396.636190666667	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M-3H"	-3.021828
"506922"	595.457924	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M-3H"	-3.021828
"880346"	197.814457333333	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-3H"	-3.021828
"120"	595.457924	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M-2H"	-2.014552
"439985"	893.690524	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M-2H"	-2.014552
"827225"	297.225324	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-2H"	-2.014552
"86123"	1191.923124	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M-H"	-1.007276
"530058"	1788.388324	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M-H"	-1.007276
"905673"	595.457924	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-H"	-1.007276
"62692"	1208.949671	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M-2H+NH4"	16.019271
"502735"	1805.414871	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M-2H+NH4"	16.019271
"879696"	612.484471	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-2H+NH4"	16.019271
"46945"	1213.905066	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M-2H+Na"	20.974666
"485973"	1810.370266	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M-2H+Na"	20.974666
"863046"	617.439866	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-2H+Na"	20.974666
"1627838"	617.439866	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Na-2H"	20.974666
"102181"	613.446263	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M-H+Cl"	33.962126
"543927"	911.678863	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M-H+Cl"	33.962126
"931973"	315.213663	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-H+Cl"	33.962126
"277104"	1227.899802	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+Cl"	34.969402
"664058"	1824.365002	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+Cl"	34.969402
"1284118"	631.434602	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Cl"	34.969402
"25580"	1229.879006	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M-2H+K"	36.948606
"461858"	1826.344206	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M-2H+K"	36.948606
"845129"	633.413806	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-2H+K"	36.948606
"1563148"	633.413806	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+K-2H"	36.948606
"949938"	641.463394	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-H+HCOOH"	44.998194
"375085"	1237.928601	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+HCOOH-H"	44.998201
"358604"	1251.944251	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+Hac-H"	59.013851
"1504885"	655.479051	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Hac-H"	59.013851
"970966"	663.445351	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-H+NaCOOH"	66.980151
"118414"	631.434602	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+2Cl"	69.938804
"563080"	929.667202	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+2Cl"	69.938804
"1033339"	333.202002	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2Cl"	69.938804
"1251829"	675.384085	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Br"	78.918885
"1314277"	677.440072	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Cl+HCOOH"	80.974872
"1327400"	699.422029	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Cl+NaCOOH"	102.956829
"922467"	709.450786	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M-H+CF3COOH"	112.985586
"1300635"	745.427464	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Cl+CF3COOH"	148.962264
"1379159"	561.452524	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H-2H2O"	-35.012676
"1394103"	579.4625	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H-H2O"	-17.0027
"293788"	1193.937676	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+H"	1.007276
"685116"	1790.402876	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+H"	1.007276
"1357091"	597.472476	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H"	1.007276
"128885"	597.472476	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+2H"	2.014552
"570633"	895.705076	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+2H"	2.014552
"1039798"	299.239876	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2H"	2.014552
"208428"	398.650742666667	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+3H"	3.021828
"648351"	597.472476	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+3H"	3.021828
"1176327"	199.829009333333	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+3H"	3.021828
"439119"	1210.964223	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+NH4"	18.033823
"798048"	1807.429423	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+NH4"	18.033823
"1693650"	614.499023	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+NH4"	18.033823
"344724"	605.9857495	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+H+NH4"	19.041099
"736534"	904.2183495	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+H+NH4"	19.041099
"1486708"	307.7531495	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H+NH4"	19.041099
"403201"	1215.919618	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+Na"	22.989218
"763100"	1812.384818	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+Na"	22.989218
"1611199"	619.454418	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Na"	22.989218
"324518"	608.463447	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+H+Na"	23.996494
"718036"	906.696047	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+H+Na"	23.996494
"1475501"	310.230847	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H+Na"	23.996494
"1059638"	207.156323333333	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2H+Na"	25.00377
"1264595"	629.498686	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+CH3OH+H"	33.033486
"383169"	1231.893558	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+K"	38.963158
"744163"	1828.358758	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+K"	38.963158
"1546217"	635.428358	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+K"	38.963158
"306672"	616.450417	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+H+K"	39.970434
"693628"	914.683017	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+H+K"	39.970434
"1451822"	318.217817	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H+K"	39.970434
"241527"	1234.964226	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+ACN+H"	42.033826
"1216422"	638.499026	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+ACN+H"	42.033826
"1203587"	319.753151	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+ACN+2H"	43.041102
"197550"	1237.90156	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+2Na-H"	44.97116
"640390"	1834.36676	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+2Na-H"	44.97116
"1145598"	641.43636	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2Na-H"	44.97116
"187430"	619.454418	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+2Na"	45.978436
"626745"	917.687018	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+2Na"	45.978436
"1128798"	321.221818	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2Na"	45.978436
"1411958"	214.483637333333	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H+2Na"	46.985712
"1439335"	643.477946	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H+HCOOH"	47.012746
"226844"	624.48744	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+3H2O+2H"	56.04448
"1514905"	657.52999	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+IsoProp+H"	61.06479
"415686"	627.441388	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+Na+K"	61.952376
"777776"	925.673988	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+Na+K"	61.952376
"1667545"	329.208788	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Na+K"	61.952376
"252727"	1256.946168	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+ACN+Na"	64.015768
"1228960"	660.480968	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+ACN+Na"	64.015768
"1715293"	660.504493	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+NH4+HCOOH"	64.039293
"1183200"	221.810951333333	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+3Na"	68.967654
"1656375"	665.459888	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Na+HCOOH"	68.994688
"171869"	1269.84944	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+2K-H"	76.91904
"610457"	1866.31464	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+2K-H"	76.91904
"1096060"	673.38424	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2K-H"	76.91904
"149599"	635.428358	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"2M+2K"	77.926316
"593533"	933.660958	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"3M+2K"	77.926316
"1082424"	337.195758	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2K"	77.926316
"1114297"	675.398792	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2K+H"	78.933592
"1347645"	675.486407	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+DMSO+H"	79.021207
"1020187"	679.525576	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2ACN+H"	83.060376
"1532113"	680.519208	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+IsoProp+Na+H"	84.054008
"1000748"	340.266426	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+2ACN+2H"	84.067652
"1598533"	681.433828	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+K+HCOOH"	84.968628
"1423099"	711.465338	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+H+CF3COOH"	115.000138
"1153387"	360.779701	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+3ACN+2H"	125.094202
"1711688"	728.491885	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+NH4+CF3COOH"	132.026685
"1649527"	733.44728	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+Na+CF3COOH"	136.98208
"1586268"	749.42122	"C20213"	"Annonacin"	"C35H64O7"	"596.4652"	"M+K+CF3COOH"	152.95602
"806791"	350.2093	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M"	0
"977043"	331.19091	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-H2O-H"	-19.01839
"69658"	232.465590666667	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M-3H"	-3.021828
"507032"	349.202024	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M-3H"	-3.021828
"883736"	115.729157333333	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-3H"	-3.021828
"1582"	349.202024	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M-2H"	-2.014552
"442238"	524.306674	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M-2H"	-2.014552
"827335"	174.097374	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-2H"	-2.014552
"84044"	699.411324	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M-H"	-1.007276
"531141"	1049.620624	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M-H"	-1.007276
"906876"	349.202024	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-H"	-1.007276
"62115"	716.437871	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M-2H+NH4"	16.019271
"502406"	1066.647171	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M-2H+NH4"	16.019271
"879360"	366.228571	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-2H+NH4"	16.019271
"46528"	721.393266	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M-2H+Na"	20.974666
"484624"	1071.602566	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M-2H+Na"	20.974666
"862061"	371.183966	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-2H+Na"	20.974666
"1626855"	371.183966	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Na-2H"	20.974666
"100105"	367.190363	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M-H+Cl"	33.962126
"539665"	542.295013	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M-H+Cl"	33.962126
"930990"	192.085713	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-H+Cl"	33.962126
"279401"	735.388002	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+Cl"	34.969402
"670731"	1085.597302	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+Cl"	34.969402
"1286416"	385.178702	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Cl"	34.969402
"28972"	737.367206	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M-2H+K"	36.948606
"465250"	1087.576506	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M-2H+K"	36.948606
"843056"	387.157906	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-2H+K"	36.948606
"1566542"	387.157906	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+K-2H"	36.948606
"953329"	395.207494	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-H+HCOOH"	44.998194
"369361"	745.416801	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+HCOOH-H"	44.998201
"353244"	759.432451	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+Hac-H"	59.013851
"1500984"	409.223151	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Hac-H"	59.013851
"969254"	417.189451	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-H+NaCOOH"	66.980151
"115244"	385.178702	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+2Cl"	69.938804
"563919"	560.283352	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+2Cl"	69.938804
"1031260"	210.074052	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2Cl"	69.938804
"1248660"	429.128185	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Br"	78.918885
"1314388"	431.184172	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Cl+HCOOH"	80.974872
"1326417"	453.166129	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Cl+NaCOOH"	102.956829
"921849"	463.194886	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M-H+CF3COOH"	112.985586
"1300745"	499.171564	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Cl+CF3COOH"	148.962264
"1378541"	315.196624	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H-2H2O"	-35.012676
"1394942"	333.2066	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H-H2O"	-17.0027
"293898"	701.425876	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+H"	1.007276
"687413"	1051.635176	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+H"	1.007276
"1356108"	351.216576	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H"	1.007276
"128267"	351.216576	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+2H"	2.014552
"570743"	526.321226	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+2H"	2.014552
"1038085"	176.111926	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2H"	2.014552
"208538"	234.480142666667	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+3H"	3.021828
"649190"	351.216576	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+3H"	3.021828
"1174975"	117.743709333333	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+3H"	3.021828
"439350"	718.452423	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+NH4"	18.033823
"798158"	1068.661723	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+NH4"	18.033823
"1695583"	368.243123	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+NH4"	18.033823
"344590"	359.7298495	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+H+NH4"	19.041099
"734092"	534.8344995	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+H+NH4"	19.041099
"1486817"	184.6251995	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H+NH4"	19.041099
"403309"	723.407818	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+Na"	22.989218
"764303"	1073.617118	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+Na"	22.989218
"1612404"	373.198518	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Na"	22.989218
"326087"	362.207547	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+H+Na"	23.996494
"719234"	537.312197	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+H+Na"	23.996494
"1473784"	187.102897	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H+Na"	23.996494
"1058655"	125.071023333333	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2H+Na"	25.00377
"1262519"	383.242786	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+CH3OH+H"	33.033486
"383279"	739.381758	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+K"	38.963158
"745367"	1089.591058	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+K"	38.963158
"1548513"	389.172458	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+K"	38.963158
"306783"	370.194517	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+H+K"	39.970434
"694830"	545.299167	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+H+K"	39.970434
"1451203"	195.089867	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H+K"	39.970434
"250019"	742.452426	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+ACN+H"	42.033826
"1224308"	392.243126	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+ACN+H"	42.033826
"1203697"	196.625201	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+ACN+2H"	43.041102
"196567"	745.38976	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+2Na-H"	44.97116
"633939"	1095.59906	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+2Na-H"	44.97116
"1141820"	395.18046	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2Na-H"	44.97116
"185475"	373.198518	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+2Na"	45.978436
"623941"	548.303168	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+2Na"	45.978436
"1126358"	198.093868	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2Na"	45.978436
"1406602"	132.398337333333	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H+2Na"	46.985712
"1438717"	397.222046	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H+HCOOH"	47.012746
"226954"	378.23154	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+3H2O+2H"	56.04448
"1515743"	411.27409	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+IsoProp+H"	61.06479
"415796"	381.185488	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+Na+K"	61.952376
"777886"	556.290138	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+Na+K"	61.952376
"1667655"	206.080838	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Na+K"	61.952376
"254174"	764.434368	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+ACN+Na"	64.015768
"1231255"	414.225068	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+ACN+Na"	64.015768
"1717955"	414.248593	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+NH4+HCOOH"	64.039293
"1185496"	139.725651333333	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+3Na"	68.967654
"1656485"	419.203988	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Na+HCOOH"	68.994688
"172100"	777.33764	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+2K-H"	76.91904
"612394"	1127.54694	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+2K-H"	76.91904
"1099785"	427.12834	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2K-H"	76.91904
"156149"	389.172458	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"2M+2K"	77.926316
"590363"	564.277108	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"3M+2K"	77.926316
"1079254"	214.067808	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2K"	77.926316
"1104808"	429.142892	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2K+H"	78.933592
"1346662"	429.230507	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+DMSO+H"	79.021207
"1019567"	433.269676	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2ACN+H"	83.060376
"1535504"	434.263308	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+IsoProp+Na+H"	84.054008
"997578"	217.138476	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+2ACN+2H"	84.067652
"1599737"	435.177928	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+K+HCOOH"	84.968628
"1423210"	465.209438	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+H+CF3COOH"	115.000138
"1153497"	237.651751	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+3ACN+2H"	125.094202
"1710705"	482.235985	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+NH4+CF3COOH"	132.026685
"1648909"	487.19138	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+Na+CF3COOH"	136.98208
"1586378"	503.16532	"C20214"	"Andrographolide"	"C20H30O5"	"350.2093"	"M+K+CF3COOH"	152.95602
"806901"	319.2147	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M"	0
"978246"	300.19631	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-H2O-H"	-19.01839
"69768"	211.802524	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M-3H"	-3.021828
"504953"	318.207424	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M-3H"	-3.021828
"881049"	105.397624	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-3H"	-3.021828
"1444"	318.207424	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M-2H"	-2.014552
"441252"	477.814774	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M-2H"	-2.014552
"827445"	158.600074	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-2H"	-2.014552
"85247"	637.422124	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M-H"	-1.007276
"530279"	956.636824	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M-H"	-1.007276
"906986"	318.207424	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-H"	-1.007276
"62467"	654.448671	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M-2H+NH4"	16.019271
"502028"	973.663371	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M-2H+NH4"	16.019271
"879893"	335.233971	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-2H+NH4"	16.019271
"46152"	659.404066	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M-2H+Na"	20.974666
"484370"	978.618766	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M-2H+Na"	20.974666
"861809"	340.189366	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-2H+Na"	20.974666
"1626965"	340.189366	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Na-2H"	20.974666
"101308"	336.195763	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M-H+Cl"	33.962126
"544150"	495.803113	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M-H+Cl"	33.962126
"933288"	176.588413	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-H+Cl"	33.962126
"280606"	673.398802	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+Cl"	34.969402
"671934"	992.613502	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+Cl"	34.969402
"1287018"	354.184102	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Cl"	34.969402
"30419"	675.378006	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M-2H+K"	36.948606
"465360"	994.592706	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M-2H+K"	36.948606
"844261"	356.163306	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-2H+K"	36.948606
"1565558"	356.163306	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+K-2H"	36.948606
"954534"	364.212894	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-H+HCOOH"	44.998194
"374213"	683.427601	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+HCOOH-H"	44.998201
"356272"	697.443251	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+Hac-H"	59.013851
"1502917"	378.228551	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Hac-H"	59.013851
"970093"	386.194851	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-H+NaCOOH"	66.980151
"121551"	354.184102	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+2Cl"	69.938804
"565409"	513.791452	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+2Cl"	69.938804
"1031368"	194.576752	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2Cl"	69.938804
"1254237"	398.133585	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Br"	78.918885
"1313405"	400.189572	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Cl+HCOOH"	80.974872
"1328715"	422.171529	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Cl+NaCOOH"	102.956829
"921960"	432.200286	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M-H+CF3COOH"	112.985586
"1299761"	468.176964	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Cl+CF3COOH"	148.962264
"1379744"	284.202024	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H-2H2O"	-35.012676
"1393959"	302.212	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H-H2O"	-17.0027
"293645"	639.436676	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+H"	1.007276
"689711"	958.651376	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+H"	1.007276
"1356218"	320.221976	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H"	1.007276
"128013"	320.221976	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+2H"	2.014552
"567937"	479.829326	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+2H"	2.014552
"1037831"	160.614626	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2H"	2.014552
"209741"	213.817076	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+3H"	3.021828
"649300"	320.221976	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+3H"	3.021828
"1175085"	107.412176	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+3H"	3.021828
"439708"	656.463223	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+NH4"	18.033823
"800944"	975.677923	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+NH4"	18.033823
"1695696"	337.248523	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+NH4"	18.033823
"343608"	328.7352495	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+H+NH4"	19.041099
"736754"	488.3425995	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+H+NH4"	19.041099
"1490207"	169.1278995	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H+NH4"	19.041099
"404877"	661.418618	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+Na"	22.989218
"764413"	980.633318	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+Na"	22.989218
"1615066"	342.203918	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Na"	22.989218
"327289"	331.212947	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+H+Na"	23.996494
"717887"	490.820297	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+H+Na"	23.996494
"1474260"	171.605597	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H+Na"	23.996494
"1067509"	114.73949	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2H+Na"	25.00377
"1270281"	352.248186	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+CH3OH+H"	33.033486
"385579"	677.392558	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+K"	38.963158
"745481"	996.607258	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+K"	38.963158
"1546439"	358.177858	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+K"	38.963158
"307623"	339.199917	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+H+K"	39.970434
"698223"	498.807267	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+H+K"	39.970434
"1452042"	179.592567	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H+K"	39.970434
"251229"	680.463226	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+ACN+H"	42.033826
"1224178"	361.248526	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+ACN+H"	42.033826
"1209521"	181.127901	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+ACN+2H"	43.041102
"196678"	683.40056	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+2Na-H"	44.97116
"637329"	1002.61526	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+2Na-H"	44.97116
"1142659"	364.18586	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2Na-H"	44.97116
"184858"	342.203918	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+2Na"	45.978436
"625877"	501.811268	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+2Na"	45.978436
"1126105"	182.596568	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2Na"	45.978436
"1411818"	122.066804	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H+2Na"	46.985712
"1443207"	366.227446	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H+HCOOH"	47.012746
"233991"	347.23694	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+3H2O+2H"	56.04448
"1517678"	380.27949	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+IsoProp+H"	61.06479
"418460"	350.190888	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+Na+K"	61.952376
"782008"	509.798238	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+Na+K"	61.952376
"1676881"	190.583538	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Na+K"	61.952376
"257567"	702.445168	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+ACN+Na"	64.015768
"1233554"	383.230468	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+ACN+Na"	64.015768
"1717701"	383.253993	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+NH4+HCOOH"	64.039293
"1185607"	129.394118	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+3Na"	68.967654
"1657688"	388.209388	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Na+HCOOH"	68.994688
"161270"	715.34844	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+2K-H"	76.91904
"605206"	1034.56314	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+2K-H"	76.91904
"1099453"	396.13374	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2K-H"	76.91904
"156837"	358.177858	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"2M+2K"	77.926316
"595577"	517.785208	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"3M+2K"	77.926316
"1080460"	198.570508	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2K"	77.926316
"1111480"	398.148292	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2K+H"	78.933592
"1350542"	398.235907	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+DMSO+H"	79.021207
"1020166"	402.275076	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2ACN+H"	83.060376
"1535614"	403.268708	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+IsoProp+Na+H"	84.054008
"998781"	201.641176	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+2ACN+2H"	84.067652
"1602033"	404.183328	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+K+HCOOH"	84.968628
"1426601"	434.214838	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+H+CF3COOH"	115.000138
"1156888"	222.154451	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+3ACN+2H"	125.094202
"1710453"	451.241385	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+NH4+CF3COOH"	132.026685
"1649383"	456.19678	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+Na+CF3COOH"	136.98208
"1586488"	472.17072	"C20215"	"Homocapsaicin;Homocapsaicin I"	"C19H29NO3"	"319.2147"	"M+K+CF3COOH"	152.95602
"807011"	293.1991	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M"	0
"977263"	274.18071	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-H2O-H"	-19.01839
"69878"	194.458790666667	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M-3H"	-3.021828
"504698"	292.191824	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M-3H"	-3.021828
"886140"	96.7257573333333	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-3H"	-3.021828
"3624"	292.191824	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M-2H"	-2.014552
"441363"	438.791374	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M-2H"	-2.014552
"822085"	145.592274	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-2H"	-2.014552
"79886"	585.390924	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M-H"	-1.007276
"530389"	878.590024	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M-H"	-1.007276
"907096"	292.191824	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-H"	-1.007276
"62098"	602.417471	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M-2H+NH4"	16.019271
"501662"	895.616571	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M-2H+NH4"	16.019271
"878734"	309.218371	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-2H+NH4"	16.019271
"46791"	607.372866	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M-2H+Na"	20.974666
"486104"	900.571966	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M-2H+Na"	20.974666
"863910"	314.173766	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-2H+Na"	20.974666
"1633275"	314.173766	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Na-2H"	20.974666
"103604"	310.180163	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M-H+Cl"	33.962126
"548879"	456.779713	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M-H+Cl"	33.962126
"935585"	163.580613	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-H+Cl"	33.962126
"277432"	621.367602	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+Cl"	34.969402
"672047"	914.566702	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+Cl"	34.969402
"1283359"	328.168502	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Cl"	34.969402
"27005"	623.346806	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M-2H+K"	36.948606
"468752"	916.545906	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M-2H+K"	36.948606
"843276"	330.147706	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-2H+K"	36.948606
"1570042"	330.147706	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+K-2H"	36.948606
"957559"	338.197294	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-H+HCOOH"	44.998194
"371407"	631.396401	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+HCOOH-H"	44.998201
"355652"	645.412051	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+Hac-H"	59.013851
"1506670"	352.212951	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Hac-H"	59.013851
"969837"	360.179251	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-H+NaCOOH"	66.980151
"122024"	328.168502	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+2Cl"	69.938804
"562679"	474.768052	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+2Cl"	69.938804
"1031478"	181.568952	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2Cl"	69.938804
"1252161"	372.117985	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Br"	78.918885
"1314610"	374.173972	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Cl+HCOOH"	80.974872
"1325545"	396.155929	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Cl+NaCOOH"	102.956829
"923164"	406.184686	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M-H+CF3COOH"	112.985586
"1298779"	442.161364	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Cl+CF3COOH"	148.962264
"1378032"	258.186424	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H-2H2O"	-35.012676
"1392247"	276.1964	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H-H2O"	-17.0027
"295580"	587.405476	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+H"	1.007276
"689093"	880.604576	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+H"	1.007276
"1358514"	294.206376	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H"	1.007276
"131402"	294.206376	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+2H"	2.014552
"569140"	440.805926	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+2H"	2.014552
"1043045"	147.606826	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2H"	2.014552
"213132"	196.473342666667	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+3H"	3.021828
"647587"	294.206376	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+3H"	3.021828
"1169725"	98.7403093333333	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+3H"	3.021828
"438478"	604.432023	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+NH4"	18.033823
"800567"	897.631123	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+NH4"	18.033823
"1695074"	311.232923	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+NH4"	18.033823
"343717"	302.7196495	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+H+NH4"	19.041099
"736863"	449.3191995	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+H+NH4"	19.041099
"1490321"	156.1200995	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H+NH4"	19.041099
"404621"	609.387418	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+Na"	22.989218
"766710"	902.586518	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+Na"	22.989218
"1614809"	316.188318	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Na"	22.989218
"328127"	305.197347	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+H+Na"	23.996494
"718360"	451.796897	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+H+Na"	23.996494
"1472910"	158.597797	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H+Na"	23.996494
"1068273"	106.067623333333	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2H+Na"	25.00377
"1271978"	326.232586	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+CH3OH+H"	33.033486
"392132"	625.361358	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+K"	38.963158
"753980"	918.560458	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+K"	38.963158
"1555136"	332.162258	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+K"	38.963158
"307003"	313.184317	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+H+K"	39.970434
"700520"	459.783867	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+H+K"	39.970434
"1453246"	166.584767	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H+K"	39.970434
"250975"	628.432026	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+ACN+H"	42.033826
"1224045"	335.232926	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+ACN+H"	42.033826
"1207936"	168.120101	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+ACN+2H"	43.041102
"201527"	631.36936	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+2Na-H"	44.97116
"642181"	924.56846	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+2Na-H"	44.97116
"1145688"	338.17026	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2Na-H"	44.97116
"186793"	316.188318	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+2Na"	45.978436
"626720"	462.787868	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+2Na"	45.978436
"1129131"	169.588768	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2Na"	45.978436
"1412172"	113.394937333333	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H+2Na"	46.985712
"1442219"	340.211846	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H+HCOOH"	47.012746
"234466"	321.22134	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+3H2O+2H"	56.04448
"1520339"	354.26389	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+IsoProp+H"	61.06479
"422218"	324.175288	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+Na+K"	61.952376
"783213"	470.774838	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+Na+K"	61.952376
"1676991"	177.575738	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Na+K"	61.952376
"259864"	650.413968	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+ACN+Na"	64.015768
"1234759"	357.214868	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+ACN+Na"	64.015768
"1725831"	357.238393	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+NH4+HCOOH"	64.039293
"1191915"	120.722251333333	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+3Na"	68.967654
"1659256"	362.193788	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Na+HCOOH"	68.994688
"170128"	663.31724	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+2K-H"	76.91904
"605312"	956.51634	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+2K-H"	76.91904
"1089829"	370.11814	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2K-H"	76.91904
"145552"	332.162258	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"2M+2K"	77.926316
"585113"	478.761808	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"3M+2K"	77.926316
"1083936"	185.562708	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2K"	77.926316
"1115323"	372.132692	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2K+H"	78.933592
"1350778"	372.220307	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+DMSO+H"	79.021207
"1018453"	376.259476	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2ACN+H"	83.060376
"1537912"	377.253108	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+IsoProp+Na+H"	84.054008
"997798"	188.633376	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+2ACN+2H"	84.067652
"1602687"	378.167728	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+K+HCOOH"	84.968628
"1428898"	408.199238	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+H+CF3COOH"	115.000138
"1156998"	209.146651	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+3ACN+2H"	125.094202
"1711656"	425.225785	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+NH4+CF3COOH"	132.026685
"1649495"	430.18118	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+Na+CF3COOH"	136.98208
"1586598"	446.15512	"C20216"	"Nordihydrocapsaicin;N-((4-H ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide"	"C17H27NO3"	"293.1991"	"M+K+CF3COOH"	152.95602
"807121"	286.1933	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M"	0
"977373"	267.17491	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-H2O-H"	-19.01839
"66708"	189.788257333333	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M-3H"	-3.021828
"504080"	285.186024	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M-3H"	-3.021828
"881149"	94.3904906666667	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-3H"	-3.021828
"1548"	285.186024	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M-2H"	-2.014552
"441471"	428.282674	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M-2H"	-2.014552
"821101"	142.089374	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-2H"	-2.014552
"80724"	571.379324	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M-H"	-1.007276
"523937"	857.572624	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M-H"	-1.007276
"908299"	285.186024	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-H"	-1.007276
"62774"	588.405871	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M-2H+NH4"	16.019271
"502584"	874.599171	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M-2H+NH4"	16.019271
"879694"	302.212571	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-2H+NH4"	16.019271
"47125"	593.361266	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M-2H+Na"	20.974666
"486414"	879.554566	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M-2H+Na"	20.974666
"864148"	307.167966	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-2H+Na"	20.974666
"1633794"	307.167966	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Na-2H"	20.974666
"103714"	303.174363	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M-H+Cl"	33.962126
"546557"	446.271013	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M-H+Cl"	33.962126
"932415"	160.077713	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-H+Cl"	33.962126
"278624"	607.356002	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+Cl"	34.969402
"672157"	893.549302	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+Cl"	34.969402
"1284199"	321.162702	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Cl"	34.969402
"28208"	609.335206	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M-2H+K"	36.948606
"467767"	895.528506	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M-2H+K"	36.948606
"845208"	323.141906	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-2H+K"	36.948606
"1569059"	323.141906	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+K-2H"	36.948606
"958431"	331.191494	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-H+HCOOH"	44.998194
"367505"	617.384801	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+HCOOH-H"	44.998201
"352481"	631.400451	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+Hac-H"	59.013851
"1503499"	345.207151	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Hac-H"	59.013851
"969947"	353.173451	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-H+NaCOOH"	66.980151
"115573"	321.162702	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+2Cl"	69.938804
"562788"	464.259352	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+2Cl"	69.938804
"1031588"	178.066052	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2Cl"	69.938804
"1251907"	365.112185	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Br"	78.918885
"1313626"	367.168172	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Cl+HCOOH"	80.974872
"1325655"	389.150129	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Cl+NaCOOH"	102.956829
"919993"	399.178886	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M-H+CF3COOH"	112.985586
"1296701"	435.155564	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Cl+CF3COOH"	148.962264
"1376685"	251.180624	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H-2H2O"	-35.012676
"1391993"	269.1906	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H-H2O"	-17.0027
"294960"	573.393876	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+H"	1.007276
"685556"	859.587176	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+H"	1.007276
"1358624"	287.200576	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H"	1.007276
"130419"	287.200576	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+2H"	2.014552
"569250"	430.297226	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+2H"	2.014552
"1044248"	144.103926	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2H"	2.014552
"209962"	191.802809333333	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+3H"	3.021828
"647697"	287.200576	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+3H"	3.021828
"1166555"	96.4050426666667	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+3H"	3.021828
"437858"	590.420423	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+NH4"	18.033823
"798123"	876.613723	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+NH4"	18.033823
"1694820"	304.227123	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+NH4"	18.033823
"343826"	295.7138495	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+H+NH4"	19.041099
"736244"	438.8104995	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+H+NH4"	19.041099
"1491889"	152.6171995	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H+NH4"	19.041099
"403638"	595.375818	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+Na"	22.989218
"762446"	881.569118	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+Na"	22.989218
"1613825"	309.182518	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Na"	22.989218
"327873"	298.191547	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+H+Na"	23.996494
"715190"	441.288197	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+H+Na"	23.996494
"1473385"	155.094897	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H+Na"	23.996494
"1068253"	103.732356666667	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2H+Na"	25.00377
"1272529"	319.226786	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+CH3OH+H"	33.033486
"390904"	611.349758	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+K"	38.963158
"753681"	897.543058	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+K"	38.963158
"1555450"	325.156458	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+K"	38.963158
"306020"	306.178517	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+H+K"	39.970434
"699537"	449.275167	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+H+K"	39.970434
"1453356"	163.081867	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H+K"	39.970434
"251046"	614.420426	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+ACN+H"	42.033826
"1223788"	328.227126	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+ACN+H"	42.033826
"1208158"	164.617201	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+ACN+2H"	43.041102
"203949"	617.35776	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+2Na-H"	44.97116
"642657"	903.55106	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+2Na-H"	44.97116
"1146447"	331.16446	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2Na-H"	44.97116
"187265"	309.182518	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+2Na"	45.978436
"626465"	452.279168	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+2Na"	45.978436
"1128509"	166.085868	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2Na"	45.978436
"1411676"	111.059670666667	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H+2Na"	46.985712
"1442329"	333.206046	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H+HCOOH"	47.012746
"233483"	314.21554	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+3H2O+2H"	56.04448
"1522275"	347.25809	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+IsoProp+H"	61.06479
"420869"	317.169488	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+Na+K"	61.952376
"778214"	460.266138	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+Na+K"	61.952376
"1677465"	174.072838	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Na+K"	61.952376
"261067"	636.402368	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+ACN+Na"	64.015768
"1234868"	350.209068	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+ACN+Na"	64.015768
"1720473"	350.232593	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+NH4+HCOOH"	64.039293
"1186921"	118.386984666667	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+3Na"	68.967654
"1660095"	355.187988	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Na+HCOOH"	68.994688
"165864"	649.30564	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+2K-H"	76.91904
"602142"	935.49894	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+2K-H"	76.91904
"1088846"	363.11234	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2K-H"	76.91904
"145662"	325.156458	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"2M+2K"	77.926316
"584130"	468.253108	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"3M+2K"	77.926316
"1083684"	182.059808	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2K"	77.926316
"1114864"	365.126892	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2K+H"	78.933592
"1350521"	365.214507	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+DMSO+H"	79.021207
"1020508"	369.253676	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2ACN+H"	83.060376
"1538022"	370.247308	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+IsoProp+Na+H"	84.054008
"997908"	185.130476	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+2ACN+2H"	84.067652
"1602379"	371.161928	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+K+HCOOH"	84.968628
"1428644"	401.193438	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+H+CF3COOH"	115.000138
"1157108"	205.643751	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+3ACN+2H"	125.094202
"1711888"	418.219985	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+NH4+CF3COOH"	132.026685
"1649120"	423.17538	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+Na+CF3COOH"	136.98208
"1586708"	439.14932	"C20217"	"Cannabidivarin;CBDV"	"C19H26O2"	"286.1933"	"M+K+CF3COOH"	152.95602
"807231"	330.2195	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M"	0
"977483"	311.20111	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-H2O-H"	-19.01839
"66818"	219.139057333333	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M-3H"	-3.021828
"503216"	329.212224	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M-3H"	-3.021828
"880895"	109.065890666667	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-3H"	-3.021828
"1658"	329.212224	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M-2H"	-2.014552
"444498"	494.321974	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M-2H"	-2.014552
"823398"	164.102474	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-2H"	-2.014552
"79495"	659.431724	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M-H"	-1.007276
"522950"	989.651224	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M-H"	-1.007276
"908409"	329.212224	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-H"	-1.007276
"61710"	676.458271	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M-2H+NH4"	16.019271
"502120"	1006.677771	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M-2H+NH4"	16.019271
"879859"	346.238771	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-2H+NH4"	16.019271
"47121"	681.413666	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M-2H+Na"	20.974666
"486942"	1011.633166	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M-2H+Na"	20.974666
"864141"	351.194166	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-2H+Na"	20.974666
"1633495"	351.194166	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Na-2H"	20.974666
"104919"	347.200563	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M-H+Cl"	33.962126
"544480"	512.310313	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M-H+Cl"	33.962126
"936899"	182.090813	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-H+Cl"	33.962126
"278734"	695.408402	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+Cl"	34.969402
"671174"	1025.627902	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+Cl"	34.969402
"1284308"	365.188902	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Cl"	34.969402
"26132"	697.387606	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M-2H+K"	36.948606
"470429"	1027.607106	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M-2H+K"	36.948606
"844589"	367.168106	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-2H+K"	36.948606
"1568076"	367.168106	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+K-2H"	36.948606
"958226"	375.217694	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-H+HCOOH"	44.998194
"368708"	705.437201	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+HCOOH-H"	44.998201
"355871"	719.452851	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+Hac-H"	59.013851
"1497049"	389.233351	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Hac-H"	59.013851
"968964"	397.199651	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-H+NaCOOH"	66.980151
"115683"	365.188902	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+2Cl"	69.938804
"557431"	530.298652	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+2Cl"	69.938804
"1026231"	200.079152	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2Cl"	69.938804
"1252380"	409.138385	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Br"	78.918885
"1312643"	411.194372	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Cl+HCOOH"	80.974872
"1327952"	433.176329	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Cl+NaCOOH"	102.956829
"921197"	443.205086	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M-H+CF3COOH"	112.985586
"1295719"	479.181764	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Cl+CF3COOH"	148.962264
"1377160"	295.206824	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H-2H2O"	-35.012676
"1393926"	313.2168	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H-H2O"	-17.0027
"294707"	661.446276	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+H"	1.007276
"685302"	991.665776	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+H"	1.007276
"1358734"	331.226776	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H"	1.007276
"132717"	331.226776	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+2H"	2.014552
"572277"	496.336526	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+2H"	2.014552
"1038526"	166.117026	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2H"	2.014552
"210072"	221.153609333333	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+3H"	3.021828
"646348"	331.226776	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+3H"	3.021828
"1167757"	111.080442666667	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+3H"	3.021828
"437603"	678.472823	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+NH4"	18.033823
"799326"	1008.692323	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+NH4"	18.033823
"1693834"	348.253323	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+NH4"	18.033823
"343207"	339.7400495	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+H+NH4"	19.041099
"736596"	504.8497995	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+H+NH4"	19.041099
"1491270"	174.6302995	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H+NH4"	19.041099
"402655"	683.428218	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+Na"	22.989218
"761463"	1013.647718	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+Na"	22.989218
"1610654"	353.208718	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Na"	22.989218
"326890"	342.217747	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+H+Na"	23.996494
"717486"	507.327497	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+H+Na"	23.996494
"1471307"	177.107997	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H+Na"	23.996494
"1064189"	118.407756666667	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2H+Na"	25.00377
"1272479"	363.252986	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+CH3OH+H"	33.033486
"391743"	699.402158	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+K"	38.963158
"753101"	1029.621658	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+K"	38.963158
"1555028"	369.182658	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+K"	38.963158
"305037"	350.204717	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+H+K"	39.970434
"700741"	515.314467	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+H+K"	39.970434
"1452373"	185.094967	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H+K"	39.970434
"250097"	702.472826	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+ACN+H"	42.033826
"1222805"	372.253326	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+ACN+H"	42.033826
"1206689"	186.630301	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+ACN+2H"	43.041102
"203572"	705.41016	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+2Na-H"	44.97116
"642403"	1035.62966	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+2Na-H"	44.97116
"1142992"	375.19066	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2Na-H"	44.97116
"184460"	353.208718	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+2Na"	45.978436
"625844"	518.318468	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+2Na"	45.978436
"1126796"	188.098968	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2Na"	45.978436
"1413366"	125.735070666667	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H+2Na"	46.985712
"1444263"	377.232246	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H+HCOOH"	47.012746
"235337"	358.24174	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+3H2O+2H"	56.04448
"1521656"	391.28429	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+IsoProp+H"	61.06479
"422073"	361.195688	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+Na+K"	61.952376
"781240"	526.305438	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+Na+K"	61.952376
"1677942"	196.085938	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Na+K"	61.952376
"261178"	724.454768	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+ACN+Na"	64.015768
"1234979"	394.235268	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+ACN+Na"	64.015768
"1721676"	394.258793	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+NH4+HCOOH"	64.039293
"1189218"	133.062384666667	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+3Na"	68.967654
"1660205"	399.214188	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Na+HCOOH"	68.994688
"163787"	737.35804	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+2K-H"	76.91904
"603347"	1067.57754	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+2K-H"	76.91904
"1090049"	407.13854	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2K-H"	76.91904
"151240"	369.182658	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"2M+2K"	77.926316
"585333"	534.292408	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"3M+2K"	77.926316
"1084064"	204.072908	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2K"	77.926316
"1115546"	409.153092	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2K+H"	78.933592
"1350875"	409.240707	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+DMSO+H"	79.021207
"1017822"	413.279876	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2ACN+H"	83.060376
"1538132"	414.273508	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+IsoProp+Na+H"	84.054008
"1000205"	207.143576	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+2ACN+2H"	84.067652
"1602587"	415.188128	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+K+HCOOH"	84.968628
"1429485"	445.219638	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+H+CF3COOH"	115.000138
"1162524"	227.656851	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+3ACN+2H"	125.094202
"1712483"	462.246185	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+NH4+CF3COOH"	132.026685
"1649472"	467.20158	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+Na+CF3COOH"	136.98208
"1580257"	483.17552	"C20218"	"Cannabielsoin;Cannabielsoin A;CBE"	"C21H30O3"	"330.2195"	"M+K+CF3COOH"	152.95602
"807341"	316.2402	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M"	0
"980873"	297.22181	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-H2O-H"	-19.01839
"70207"	209.819524	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M-3H"	-3.021828
"504665"	315.232924	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M-3H"	-3.021828
"881007"	104.406124	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-3H"	-3.021828
"1768"	315.232924	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M-2H"	-2.014552
"443515"	473.353024	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M-2H"	-2.014552
"823507"	157.112824	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-2H"	-2.014552
"79851"	631.473124	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M-H"	-1.007276
"525247"	947.713324	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M-H"	-1.007276
"910224"	315.232924	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-H"	-1.007276
"62061"	648.499671	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M-2H+NH4"	16.019271
"501865"	964.739871	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M-2H+NH4"	16.019271
"879057"	332.259471	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-2H+NH4"	16.019271
"46674"	653.455066	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M-2H+Na"	20.974666
"486399"	969.695266	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M-2H+Na"	20.974666
"863101"	337.214866	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-2H+Na"	20.974666
"1633242"	337.214866	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Na-2H"	20.974666
"107460"	333.221263	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M-H+Cl"	33.962126
"543497"	491.341363	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M-H+Cl"	33.962126
"937009"	175.101163	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-H+Cl"	33.962126
"281031"	667.449802	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+Cl"	34.969402
"672377"	983.690002	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+Cl"	34.969402
"1284418"	351.209602	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Cl"	34.969402
"26244"	669.429006	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M-2H+K"	36.948606
"469080"	985.669206	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M-2H+K"	36.948606
"846887"	353.188806	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-2H+K"	36.948606
"1570211"	353.188806	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+K-2H"	36.948606
"958134"	361.238394	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-H+HCOOH"	44.998194
"374285"	677.478601	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+HCOOH-H"	44.998201
"355981"	691.494251	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+Hac-H"	59.013851
"1500439"	375.254051	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Hac-H"	59.013851
"970167"	383.220351	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-H+NaCOOH"	66.980151
"115793"	351.209602	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+2Cl"	69.938804
"557541"	509.329702	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+2Cl"	69.938804
"1026341"	193.089502	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2Cl"	69.938804
"1252491"	395.159085	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Br"	78.918885
"1312753"	397.215072	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Cl+HCOOH"	80.974872
"1329156"	419.197029	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Cl+NaCOOH"	102.956829
"923493"	429.225786	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M-H+CF3COOH"	112.985586
"1300203"	465.202464	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Cl+CF3COOH"	148.962264
"1379457"	281.227524	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H-2H2O"	-35.012676
"1394763"	299.2375	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H-H2O"	-17.0027
"296636"	633.487676	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+H"	1.007276
"686141"	949.727876	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+H"	1.007276
"1359937"	317.247476	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H"	1.007276
"130640"	317.247476	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+2H"	2.014552
"573480"	475.367576	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+2H"	2.014552
"1039365"	159.127376	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2H"	2.014552
"212368"	211.834076	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+3H"	3.021828
"647186"	317.247476	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+3H"	3.021828
"1167867"	106.420676	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+3H"	3.021828
"436621"	650.514223	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+NH4"	18.033823
"799437"	966.754423	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+NH4"	18.033823
"1693944"	334.274023	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+NH4"	18.033823
"343317"	325.7607495	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+H+NH4"	19.041099
"735735"	483.8808495	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+H+NH4"	19.041099
"1491018"	167.6406495	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H+NH4"	19.041099
"401671"	655.469618	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+Na"	22.989218
"762666"	971.709818	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+Na"	22.989218
"1610764"	339.229418	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Na"	22.989218
"327001"	328.238447	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+H+Na"	23.996494
"714316"	486.358547	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+H+Na"	23.996494
"1473605"	170.118347	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H+Na"	23.996494
"1063935"	113.74799	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2H+Na"	25.00377
"1270968"	349.273686	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+CH3OH+H"	33.033486
"391367"	671.443558	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+K"	38.963158
"749927"	987.683758	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+K"	38.963158
"1551979"	355.203358	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+K"	38.963158
"306239"	336.225417	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+H+K"	39.970434
"699758"	494.345517	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+H+K"	39.970434
"1450297"	178.105317	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H+K"	39.970434
"251141"	674.514226	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+ACN+H"	42.033826
"1224738"	358.274026	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+ACN+H"	42.033826
"1207892"	179.640651	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+ACN+2H"	43.041102
"203685"	677.45156	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+2Na-H"	44.97116
"641417"	993.69176	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+2Na-H"	44.97116
"1145291"	361.21136	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2Na-H"	44.97116
"187244"	339.229418	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+2Na"	45.978436
"625221"	497.349518	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+2Na"	45.978436
"1126903"	181.109318	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2Na"	45.978436
"1411895"	121.075304	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H+2Na"	46.985712
"1442550"	363.252946	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H+HCOOH"	47.012746
"233342"	344.26244	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+3H2O+2H"	56.04448
"1520305"	377.30499	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+IsoProp+H"	61.06479
"422182"	347.216388	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+Na+K"	61.952376
"779528"	505.336488	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+Na+K"	61.952376
"1679146"	189.096288	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Na+K"	61.952376
"260924"	696.496168	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+ACN+Na"	64.015768
"1235089"	380.255968	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+ACN+Na"	64.015768
"1719600"	380.279493	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+NH4+HCOOH"	64.039293
"1187141"	128.402618	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+3Na"	68.967654
"1658129"	385.234888	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Na+HCOOH"	68.994688
"162805"	709.39944	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+2K-H"	76.91904
"606737"	1025.63964	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+2K-H"	76.91904
"1092342"	393.15924	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2K-H"	76.91904
"146971"	355.203358	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"2M+2K"	77.926316
"592002"	513.323458	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"3M+2K"	77.926316
"1083089"	197.083258	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2K"	77.926316
"1115480"	395.173792	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2K+H"	78.933592
"1350128"	395.261407	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+DMSO+H"	79.021207
"1019026"	399.300576	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2ACN+H"	83.060376
"1539215"	400.294208	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+IsoProp+Na+H"	84.054008
"1000315"	200.153926	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+2ACN+2H"	84.067652
"1602236"	401.208828	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+K+HCOOH"	84.968628
"1429642"	431.240338	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+H+CF3COOH"	115.000138
"1160608"	220.667201	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+3ACN+2H"	125.094202
"1712430"	448.266885	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+NH4+CF3COOH"	132.026685
"1649581"	453.22228	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+Na+CF3COOH"	136.98208
"1580367"	469.19622	"C20219"	"Cannabigerol;CBG"	"C21H32O2"	"316.2402"	"M+K+CF3COOH"	152.95602
"807451"	554.0137	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M"	0
"979889"	534.99531	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-H2O-H"	-19.01839
"70317"	368.335190666667	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M-3H"	-3.021828
"504411"	553.006424	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M-3H"	-3.021828
"881114"	183.663957333333	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-3H"	-3.021828
"2971"	553.006424	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M-2H"	-2.014552
"442166"	830.013274	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M-2H"	-2.014552
"822524"	275.999574	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-2H"	-2.014552
"81053"	1107.020124	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M-H"	-1.007276
"521709"	1661.033824	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M-H"	-1.007276
"910211"	553.006424	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-H"	-1.007276
"61557"	1124.046671	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M-2H+NH4"	16.019271
"501000"	1678.060371	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M-2H+NH4"	16.019271
"877097"	570.032971	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-2H+NH4"	16.019271
"44998"	1129.002066	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M-2H+Na"	20.974666
"484196"	1683.015766	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M-2H+Na"	20.974666
"861995"	574.988366	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-2H+Na"	20.974666
"1630799"	574.988366	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Na-2H"	20.974666
"106231"	570.994763	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M-H+Cl"	33.962126
"543607"	848.001613	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M-H+Cl"	33.962126
"934932"	293.987913	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-H+Cl"	33.962126
"275674"	1142.996802	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+Cl"	34.969402
"671395"	1697.010502	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+Cl"	34.969402
"1280156"	588.983102	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Cl"	34.969402
"28175"	1144.976006	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M-2H+K"	36.948606
"465910"	1698.989706	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M-2H+K"	36.948606
"844812"	590.962306	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-2H+K"	36.948606
"1569389"	590.962306	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+K-2H"	36.948606
"958001"	599.011894	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-H+HCOOH"	44.998194
"372209"	1153.025601	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+HCOOH-H"	44.998201
"356091"	1167.041251	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+Hac-H"	59.013851
"1500549"	613.027551	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Hac-H"	59.013851
"966997"	620.993851	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-H+NaCOOH"	66.980151
"115903"	588.983102	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+2Cl"	69.938804
"554371"	865.989952	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+2Cl"	69.938804
"1025358"	311.976252	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2Cl"	69.938804
"1252964"	632.932585	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Br"	78.918885
"1311770"	634.988572	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Cl+HCOOH"	80.974872
"1329266"	656.970529	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Cl+NaCOOH"	102.956829
"923238"	666.999286	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M-H+CF3COOH"	112.985586
"1299219"	702.975964	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Cl+CF3COOH"	148.962264
"1380296"	519.001024	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H-2H2O"	-35.012676
"1394873"	537.011	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H-H2O"	-17.0027
"296746"	1109.034676	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+H"	1.007276
"685886"	1663.048376	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+H"	1.007276
"1358954"	555.020976	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H"	1.007276
"130749"	555.020976	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+2H"	2.014552
"570310"	832.027826	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+2H"	2.014552
"1039110"	278.014126	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2H"	2.014552
"208104"	370.349742666667	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+3H"	3.021828
"645837"	555.020976	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+3H"	3.021828
"1167977"	185.678509333333	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+3H"	3.021828
"436003"	1126.061223	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+NH4"	18.033823
"798818"	1680.074923	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+NH4"	18.033823
"1695147"	572.047523	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+NH4"	18.033823
"344158"	563.5342495	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+H+NH4"	19.041099
"735845"	840.5410995	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+H+NH4"	19.041099
"1492225"	286.5273995	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H+NH4"	19.041099
"401781"	1131.016618	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+Na"	22.989218
"762776"	1685.030318	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+Na"	22.989218
"1611967"	577.002918	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Na"	22.989218
"327111"	566.011947	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+H+Na"	23.996494
"715519"	843.018797	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+H+Na"	23.996494
"1472986"	289.005097	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H+Na"	23.996494
"1064773"	193.005823333333	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2H+Na"	25.00377
"1271324"	587.047186	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+CH3OH+H"	33.033486
"390865"	1146.990558	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+K"	38.963158
"750401"	1701.004258	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+K"	38.963158
"1552453"	592.976858	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+K"	38.963158
"306349"	573.998917	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+H+K"	39.970434
"699868"	851.005767	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+H+K"	39.970434
"1450407"	296.992067	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H+K"	39.970434
"248862"	1150.061226	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+ACN+H"	42.033826
"1222659"	596.047526	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+ACN+H"	42.033826
"1207635"	298.527401	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+ACN+2H"	43.041102
"201600"	1152.99856	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+2Na-H"	44.97116
"642617"	1707.01226	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+2Na-H"	44.97116
"1143570"	598.98486	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2Na-H"	44.97116
"183579"	577.002918	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+2Na"	45.978436
"626059"	854.009768	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+2Na"	45.978436
"1126648"	299.996068	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2Na"	45.978436
"1407625"	200.333137333333	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H+2Na"	46.985712
"1437918"	601.026446	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H+HCOOH"	47.012746
"229798"	582.03594	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+3H2O+2H"	56.04448
"1518953"	615.07849	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+IsoProp+H"	61.06479
"415360"	584.989888	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+Na+K"	61.952376
"776358"	861.996738	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+Na+K"	61.952376
"1675970"	307.983038	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Na+K"	61.952376
"260304"	1172.043168	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+ACN+Na"	64.015768
"1230824"	618.029468	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+ACN+Na"	64.015768
"1715335"	618.052993	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+NH4+HCOOH"	64.039293
"1180689"	207.660451333333	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+3Na"	68.967654
"1659331"	623.008388	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Na+HCOOH"	68.994688
"161819"	1184.94644	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+2K-H"	76.91904
"603565"	1738.96014	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+2K-H"	76.91904
"1089170"	630.93274	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2K-H"	76.91904
"144892"	592.976858	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"2M+2K"	77.926316
"586643"	869.983708	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"3M+2K"	77.926316
"1083444"	315.970008	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2K"	77.926316
"1115275"	632.947292	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2K+H"	78.933592
"1348415"	633.034907	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+DMSO+H"	79.021207
"1016945"	637.074076	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2ACN+H"	83.060376
"1536166"	638.067708	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+IsoProp+Na+H"	84.054008
"997145"	319.040676	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+2ACN+2H"	84.067652
"1596021"	638.982328	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+K+HCOOH"	84.968628
"1429098"	669.013838	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+H+CF3COOH"	115.000138
"1161814"	339.553951	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+3ACN+2H"	125.094202
"1704802"	686.040385	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+NH4+CF3COOH"	132.026685
"1645920"	690.99578	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+Na+CF3COOH"	136.98208
"1577197"	706.96972	"C20220"	"AM251;AM 251;AM-251"	"C22H21Cl2IN4O"	"554.0137"	"M+K+CF3COOH"	152.95602
"807561"	168.115	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M"	0
"978906"	149.09661	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"70427"	111.069390666667	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"507801"	167.107724	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"880409"	55.0310573333333	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"4174"	167.107724	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"443369"	251.165224	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"820441"	83.050224	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"80435"	335.222724	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"523277"	503.337724	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"910565"	167.107724	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"61791"	352.249271	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"501957"	520.364271	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"876117"	184.134271	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"45108"	357.204666	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"485763"	525.319666	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"862712"	189.089666	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1629816"	189.089666	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"107434"	185.096063	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"544810"	269.153563	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"937229"	101.038563	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"279064"	371.199402	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"661397"	539.314402	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1274171"	203.084402	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"28650"	373.178606	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"466020"	541.293606	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"844193"	205.063606	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1569864"	205.063606	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"957988"	213.113194	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"369038"	381.228201	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"352921"	395.243851	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1500659"	227.128851	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"970387"	235.095151	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"116013"	203.084402	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"553752"	287.141902	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1025468"	119.026902	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1254167"	247.033885	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1315159"	249.089872	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1329377"	271.071829	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"924441"	281.100586	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1302244"	317.077264	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1381863"	133.102324	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1394983"	151.1123	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"298275"	337.237276	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"691103"	505.352276	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1361251"	169.122276	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H"	1.007276
"130859"	169.122276	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"573700"	253.179776	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1038248"	85.064776	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"208214"	113.083942666667	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"647770"	169.122276	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1170274"	57.0456093333333	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"437205"	354.263823	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"800264"	522.378823	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1694163"	186.148823	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"344996"	177.6355495	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"736318"	261.6930495	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1491598"	93.5780495	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"400798"	359.219218	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"761793"	527.334218	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1612077"	191.104218	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"327949"	180.113247	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"715629"	264.170747	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1473824"	96.055747	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1063788"	64.3729233333333	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1272040"	201.148486	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"391703"	375.193158	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"750511"	543.308158	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1552563"	207.078158	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+K"	38.963158
"306459"	188.100217	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"701067"	272.157717	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1450510"	104.042717	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"242390"	378.263826	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1223498"	210.148826	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1208840"	105.578051	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"203170"	381.20116	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"642360"	549.31616	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1142586"	213.08616	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"180407"	191.104218	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"625076"	275.161718	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1127852"	107.046718	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1405912"	71.7002373333333	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1441307"	215.127746	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"232703"	196.13724	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1521615"	229.17979	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"417657"	199.091188	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"776468"	283.148688	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1679360"	115.033688	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"262601"	400.245768	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1228747"	232.130768	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1715445"	232.154293	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1180799"	79.0275513333333	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1658348"	237.109688	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"161929"	413.14904	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"599301"	581.26404	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1087094"	245.03404	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"142816"	207.078158	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"586753"	291.135658	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1083882"	123.020658	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1114207"	247.048592	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1348525"	247.136207	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1019242"	251.175376	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1534086"	252.169008	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"993972"	126.091326	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1592851"	253.083628	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1427995"	283.115138	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1160828"	146.604601	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1706005"	300.141685	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1646030"	305.09708	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1577307"	321.07102	"C20221"	"(6E)-8-Oxolinalool;trans-8-Oxolinalool"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"807671"	168.115	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M"	0
"982296"	149.09661	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"67257"	111.069390666667	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"507911"	167.107724	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"881210"	55.0310573333333	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"3919"	167.107724	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"444209"	251.165224	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"819822"	83.050224	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"83099"	335.222724	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"523387"	503.337724	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"908849"	167.107724	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"62264"	352.249271	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"500977"	520.364271	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"875135"	184.134271	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"46069"	357.204666	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"483688"	525.319666	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"863186"	189.089666	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1632477"	189.089666	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"107544"	185.096063	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"544917"	269.153563	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"936245"	101.038563	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"281969"	371.199402	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"662120"	539.314402	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1274884"	203.084402	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"25471"	373.178606	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"469410"	541.293606	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"846855"	205.063606	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1570342"	205.063606	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"958411"	213.113194	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"371336"	381.228201	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"358499"	395.243851	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1500769"	227.128851	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"970497"	235.095151	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"119404"	203.084402	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"553862"	287.141902	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1028858"	119.026902	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1250634"	247.033885	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1309072"	249.089872	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1326204"	271.071829	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"923821"	281.100586	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1302720"	317.077264	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1379421"	133.102324	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1391813"	151.1123	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"294779"	337.237276	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"685012"	505.352276	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1360268"	169.122276	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H"	1.007276
"128782"	169.122276	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"570530"	253.179776	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1040788"	85.064776	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"208324"	113.083942666667	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"646423"	169.122276	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1170384"	57.0456093333333	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"436952"	354.263823	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"800132"	522.378823	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1695366"	186.148823	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"345471"	177.6355495	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"737156"	261.6930495	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1490978"	93.5780495	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"400908"	359.219218	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"759716"	527.334218	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1607814"	191.104218	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"326236"	180.113247	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"715739"	264.170747	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1471018"	96.055747	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1062804"	64.3729233333333	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1272724"	201.148486	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"389625"	375.193158	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"750621"	543.308158	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1551579"	207.078158	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+K"	38.963158
"312034"	188.100217	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"700081"	272.157717	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1449892"	104.042717	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"243596"	378.263826	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1219604"	210.148826	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1207857"	105.578051	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"203278"	381.20116	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"643563"	549.31616	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1143789"	213.08616	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"180517"	191.104218	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"622273"	275.161718	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1126870"	107.046718	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1409302"	71.7002373333333	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1440324"	215.127746	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"234757"	196.13724	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1523914"	229.17979	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"423235"	199.091188	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"780951"	283.148688	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1675097"	115.033688	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"258336"	400.245768	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1233229"	232.130768	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1723208"	232.154293	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1186376"	79.0275513333333	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1656269"	237.109688	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"164224"	413.14904	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"601596"	581.26404	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1086109"	245.03404	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"144019"	207.078158	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"585769"	291.135658	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1082689"	123.020658	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1115048"	247.048592	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1350459"	247.136207	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1016072"	251.175376	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1532009"	252.169008	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"992989"	126.091326	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1592961"	253.083628	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1429195"	283.115138	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1160938"	146.604601	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1705022"	300.141685	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1646140"	305.09708	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1577417"	321.07102	"C20222"	"(6E)-8-Hydroxygeranial"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"807781"	168.115	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M"	0
"979126"	149.09661	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"67367"	111.069390666667	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"508021"	167.107724	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"879933"	55.0310573333333	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"1355"	167.107724	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"445048"	251.165224	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"818841"	83.050224	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"81751"	335.222724	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"522404"	503.337724	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"905679"	167.107724	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"60916"	352.249271	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"502223"	520.364271	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"878890"	184.134271	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"46995"	357.204666	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"486883"	525.319666	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"862324"	189.089666	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1630036"	189.089666	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"107656"	185.096063	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"546122"	269.153563	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"936356"	101.038563	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"280378"	371.199402	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"662962"	539.314402	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1275366"	203.084402	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"25581"	373.178606	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"470821"	541.293606	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"845508"	205.063606	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1569724"	205.063606	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"958367"	213.113194	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"371446"	381.228201	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"358975"	395.243851	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1507440"	227.128851	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"971700"	235.095151	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"122794"	203.084402	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"560168"	287.141902	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1034435"	119.026902	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1254387"	247.033885	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1316837"	249.089872	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1326314"	271.071829	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"924662"	281.100586	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1303195"	317.077264	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1382494"	133.102324	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1396663"	151.1123	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"297076"	337.237276	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"687310"	505.352276	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1364389"	169.122276	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H"	1.007276
"133267"	169.122276	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"573920"	253.179776	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1040534"	85.064776	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"208798"	113.083942666667	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"646169"	169.122276	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1170494"	57.0456093333333	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"437792"	354.263823	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"800847"	522.378823	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1695841"	186.148823	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"343757"	177.6355495	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"736173"	261.6930495	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1491088"	93.5780495	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"403205"	359.219218	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"763107"	527.334218	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1613391"	191.104218	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"323431"	180.113247	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"717673"	264.170747	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1471128"	96.055747	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1062913"	64.3729233333333	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1272387"	201.148486	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"392577"	375.193158	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"754126"	543.308158	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1554852"	207.078158	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+K"	38.963158
"313241"	188.100217	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"704565"	272.157717	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1451825"	104.042717	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"244800"	378.263826	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1220423"	210.148826	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1198116"	105.578051	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"203148"	381.20116	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"643310"	549.31616	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1146086"	213.08616	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"182815"	191.104218	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"626392"	275.161718	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1128073"	107.046718	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1413426"	71.7002373333333	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1444081"	215.127746	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"234988"	196.13724	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1524015"	229.17979	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"424036"	199.091188	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"784952"	283.148688	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1680676"	115.033688	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"262821"	400.245768	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1237715"	232.130768	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1727693"	232.154293	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1188674"	79.0275513333333	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1661849"	237.109688	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"162150"	413.14904	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"606081"	581.26404	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1091687"	245.03404	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"149597"	207.078158	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"588067"	291.135658	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1083046"	123.020658	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1115036"	247.048592	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1349353"	247.136207	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1019341"	251.175376	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1535399"	252.169008	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"993099"	126.091326	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1593071"	253.083628	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1429306"	283.115138	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1161048"	146.604601	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1705132"	300.141685	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1646250"	305.09708	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1577527"	321.07102	"C20223"	"(6E)-8-Oxogeraniol"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"804612"	222.0892	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M"	0
"975957"	203.07081	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-H2O-H"	-19.01839
"65292"	147.052190666667	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M-3H"	-3.021828
"504851"	221.081924	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M-3H"	-3.021828
"880464"	73.0224573333333	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-3H"	-3.021828
"3409"	221.081924	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M-2H"	-2.014552
"442605"	332.126524	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M-2H"	-2.014552
"818590"	110.037324	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-2H"	-2.014552
"81861"	443.171124	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M-H"	-1.007276
"526894"	665.260324	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M-H"	-1.007276
"910907"	221.081924	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-H"	-1.007276
"62760"	460.197671	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M-2H+NH4"	16.019271
"502493"	682.286871	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M-2H+NH4"	16.019271
"879362"	238.108471	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-2H+NH4"	16.019271
"45802"	465.153066	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M-2H+Na"	20.974666
"486823"	687.242266	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M-2H+Na"	20.974666
"862434"	243.063866	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-2H+Na"	20.974666
"1632696"	243.063866	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Na-2H"	20.974666
"104486"	239.070263	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M-H+Cl"	33.962126
"542952"	350.114863	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M-H+Cl"	33.962126
"936466"	128.025663	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-H+Cl"	33.962126
"275027"	479.147802	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+Cl"	34.969402
"668542"	701.237002	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+Cl"	34.969402
"1282042"	257.058602	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Cl"	34.969402
"28619"	481.127006	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M-2H+K"	36.948606
"467453"	703.216206	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M-2H+K"	36.948606
"847440"	259.037806	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-2H+K"	36.948606
"1570561"	259.037806	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+K-2H"	36.948606
"957838"	267.087394	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-H+HCOOH"	44.998194
"375204"	489.176601	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+HCOOH-H"	44.998201
"361210"	503.192251	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+Hac-H"	59.013851
"1504270"	281.103051	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Hac-H"	59.013851
"969623"	289.069351	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-H+NaCOOH"	66.980151
"116345"	257.058602	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+2Cl"	69.938804
"563559"	368.103202	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+2Cl"	69.938804
"1033828"	146.014002	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2Cl"	69.938804
"1245385"	301.008085	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Br"	78.918885
"1307835"	303.064072	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Cl+HCOOH"	80.974872
"1328612"	325.046029	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Cl+NaCOOH"	102.956829
"924046"	335.074786	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M-H+CF3COOH"	112.985586
"1304138"	371.051464	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Cl+CF3COOH"	148.962264
"1382440"	187.076524	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H-2H2O"	-35.012676
"1394948"	205.0865	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H-H2O"	-17.0027
"292811"	445.185676	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+H"	1.007276
"688151"	667.274876	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+H"	1.007276
"1364865"	223.096476	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H"	1.007276
"131190"	223.096476	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+2H"	2.014552
"571846"	334.141076	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+2H"	2.014552
"1041371"	112.051876	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2H"	2.014552
"207085"	149.066742666667	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+3H"	3.021828
"656129"	223.096476	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+3H"	3.021828
"1176452"	75.0370093333333	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+3H"	3.021828
"437538"	462.212223	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+NH4"	18.033823
"799624"	684.301423	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+NH4"	18.033823
"1695954"	240.123023	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+NH4"	18.033823
"342770"	231.6097495	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+H+NH4"	19.041099
"736654"	342.6543495	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+H+NH4"	19.041099
"1490105"	120.5651495	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H+NH4"	19.041099
"401130"	467.167618	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+Na"	22.989218
"764313"	689.256818	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+Na"	22.989218
"1614603"	245.078418	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Na"	22.989218
"326458"	234.087447	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+H+Na"	23.996494
"720947"	345.132047	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+H+Na"	23.996494
"1473063"	123.042847	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H+Na"	23.996494
"1061934"	82.3643233333333	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2H+Na"	25.00377
"1272126"	255.122686	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+CH3OH+H"	33.033486
"391913"	483.141558	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+K"	38.963158
"753721"	705.230758	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+K"	38.963158
"1554353"	261.052358	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+K"	38.963158
"311891"	242.074417	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+H+K"	39.970434
"700305"	353.119017	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+H+K"	39.970434
"1450842"	131.029817	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H+K"	39.970434
"242721"	486.212226	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+ACN+H"	42.033826
"1220906"	264.123026	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+ACN+H"	42.033826
"1209695"	132.565151	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+ACN+2H"	43.041102
"203257"	489.14956	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+2Na-H"	44.97116
"643056"	711.23876	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+2Na-H"	44.97116
"1143645"	267.06036	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2Na-H"	44.97116
"179643"	245.078418	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+2Na"	45.978436
"628401"	356.123018	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+2Na"	45.978436
"1130742"	134.033818	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2Na"	45.978436
"1414142"	89.6916373333333	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H+2Na"	46.985712
"1443826"	269.101946	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H+HCOOH"	47.012746
"233155"	250.11144	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+3H2O+2H"	56.04448
"1523039"	283.15399	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+IsoProp+H"	61.06479
"423704"	253.065388	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+Na+K"	61.952376
"784821"	364.109988	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+Na+K"	61.952376
"1677502"	142.020788	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Na+K"	61.952376
"264022"	508.194168	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+ACN+Na"	64.015768
"1235638"	286.104968	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+ACN+Na"	64.015768
"1724523"	286.128493	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+NH4+HCOOH"	64.039293
"1189879"	97.0189513333333	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+3Na"	68.967654
"1660867"	291.083888	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Na+HCOOH"	68.994688
"161531"	521.09744	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+2K-H"	76.91904
"602913"	743.18664	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+2K-H"	76.91904
"1091798"	299.00824	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2K-H"	76.91904
"145339"	261.052358	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"2M+2K"	77.926316
"596658"	372.096958	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"3M+2K"	77.926316
"1082548"	150.007758	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2K"	77.926316
"1114904"	301.022792	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2K+H"	78.933592
"1350200"	301.110407	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+DMSO+H"	79.021207
"1020670"	305.149576	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2ACN+H"	83.060376
"1537698"	306.143208	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+IsoProp+Na+H"	84.054008
"1005003"	153.078426	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+2ACN+2H"	84.067652
"1600479"	307.057828	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+K+HCOOH"	84.968628
"1427962"	337.089338	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+H+CF3COOH"	115.000138
"1161531"	173.591701	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+3ACN+2H"	125.094202
"1712616"	354.115885	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+NH4+CF3COOH"	132.026685
"1646361"	359.07128	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+Na+CF3COOH"	136.98208
"1577638"	375.04522	"C20225"	"Coniferyl acetate"	"C12H14O4"	"222.0892"	"M+K+CF3COOH"	152.95602
"804722"	210.0681	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M"	0
"979347"	191.04971	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-H2O-H"	-19.01839
"67589"	139.038124	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M-3H"	-3.021828
"504961"	209.060824	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M-3H"	-3.021828
"880696"	69.015424	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-3H"	-3.021828
"4614"	209.060824	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M-2H"	-2.014552
"442353"	314.094874	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M-2H"	-2.014552
"818699"	104.026774	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-2H"	-2.014552
"81971"	419.128924	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M-H"	-1.007276
"523719"	629.197024	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M-H"	-1.007276
"909069"	209.060824	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-H"	-1.007276
"60772"	436.155471	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M-2H+NH4"	16.019271
"502398"	646.223571	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M-2H+NH4"	16.019271
"878253"	226.087371	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-2H+NH4"	16.019271
"44450"	441.110866	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M-2H+Na"	20.974666
"486690"	651.178966	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M-2H+Na"	20.974666
"864165"	231.042766	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-2H+Na"	20.974666
"1631346"	231.042766	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Na-2H"	20.974666
"104596"	227.049163	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M-H+Cl"	33.962126
"543062"	332.083213	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M-H+Cl"	33.962126
"936211"	122.015113	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-H+Cl"	33.962126
"271857"	455.105602	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+Cl"	34.969402
"668652"	665.173702	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+Cl"	34.969402
"1282152"	245.037502	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Cl"	34.969402
"27626"	457.084806	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M-2H+K"	36.948606
"468293"	667.152906	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M-2H+K"	36.948606
"846094"	247.016706	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-2H+K"	36.948606
"1569941"	247.016706	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+K-2H"	36.948606
"953090"	255.066294	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-H+HCOOH"	44.998194
"372763"	465.134401	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+HCOOH-H"	44.998201
"357736"	479.150051	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+Hac-H"	59.013851
"1504380"	269.081951	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Hac-H"	59.013851
"968640"	277.048251	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-H+NaCOOH"	66.980151
"115361"	245.037502	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+2Cl"	69.938804
"557109"	350.071552	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+2Cl"	69.938804
"1034301"	140.003452	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2Cl"	69.938804
"1252057"	288.986985	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Br"	78.918885
"1313413"	291.042972	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Cl+HCOOH"	80.974872
"1329817"	313.024929	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Cl+NaCOOH"	102.956829
"924153"	323.053686	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M-H+CF3COOH"	112.985586
"1303414"	359.030364	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Cl+CF3COOH"	148.962264
"1375740"	175.055424	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H-2H2O"	-35.012676
"1388861"	193.0654	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H-H2O"	-17.0027
"286360"	421.143476	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+H"	1.007276
"686073"	631.211576	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+H"	1.007276
"1360600"	211.075376	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H"	1.007276
"128384"	211.075376	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+2H"	2.014552
"570862"	316.109426	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+2H"	2.014552
"1038201"	106.041326	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2H"	2.014552
"206102"	141.052676	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+3H"	3.021828
"653686"	211.075376	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+3H"	3.021828
"1177899"	71.029976	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+3H"	3.021828
"438376"	438.170023	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+NH4"	18.033823
"799976"	648.238123	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+NH4"	18.033823
"1695331"	228.101923	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+NH4"	18.033823
"342152"	219.5886495	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+H+NH4"	19.041099
"737371"	324.6226995	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+H+NH4"	19.041099
"1489851"	114.5545995	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H+NH4"	19.041099
"400147"	443.125418	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+Na"	22.989218
"762236"	653.193518	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+Na"	22.989218
"1615806"	233.057318	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Na"	22.989218
"326568"	222.066347	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+H+Na"	23.996494
"721908"	327.100397	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+H+Na"	23.996494
"1473902"	117.032297	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H+Na"	23.996494
"1062773"	78.35729	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2H+Na"	25.00377
"1270292"	243.101586	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+CH3OH+H"	33.033486
"391051"	459.099358	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+K"	38.963158
"752778"	669.167458	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+K"	38.963158
"1554100"	249.031258	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+K"	38.963158
"310543"	230.053317	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+H+K"	39.970434
"697135"	335.087367	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+H+K"	39.970434
"1452409"	125.019267	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H+K"	39.970434
"242831"	462.170026	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+ACN+H"	42.033826
"1221016"	252.101926	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+ACN+H"	42.033826
"1208913"	126.554601	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+ACN+2H"	43.041102
"202517"	465.10736	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+2Na-H"	44.97116
"642801"	675.17546	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+2Na-H"	44.97116
"1144484"	255.03926	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2Na-H"	44.97116
"179753"	233.057318	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+2Na"	45.978436
"622230"	338.091368	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+2Na"	45.978436
"1130974"	128.023268	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2Na"	45.978436
"1413980"	85.684604	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H+2Na"	46.985712
"1445441"	257.080846	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H+HCOOH"	47.012746
"231443"	238.09034	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+3H2O+2H"	56.04448
"1523149"	271.13289	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+IsoProp+H"	61.06479
"423938"	241.044288	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+Na+K"	61.952376
"783475"	346.078338	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+Na+K"	61.952376
"1678342"	136.010238	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Na+K"	61.952376
"265225"	484.151968	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+ACN+Na"	64.015768
"1237935"	274.083868	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+ACN+Na"	64.015768
"1724633"	274.107393	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+NH4+HCOOH"	64.039293
"1186709"	93.011918	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+3Na"	68.967654
"1660977"	279.062788	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Na+HCOOH"	68.994688
"163827"	497.05524	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+2K-H"	76.91904
"606302"	707.12334	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+2K-H"	76.91904
"1094094"	286.98714	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2K-H"	76.91904
"145449"	249.031258	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"2M+2K"	77.926316
"596082"	354.065308	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"3M+2K"	77.926316
"1082295"	143.997208	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2K"	77.926316
"1115544"	289.001692	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2K+H"	78.933592
"1351266"	289.089307	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+DMSO+H"	79.021207
"1021229"	293.128476	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2ACN+H"	83.060376
"1537808"	294.122108	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+IsoProp+Na+H"	84.054008
"1005114"	147.067876	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+2ACN+2H"	84.067652
"1599861"	295.036728	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+K+HCOOH"	84.968628
"1428436"	325.068238	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+H+CF3COOH"	115.000138
"1161885"	167.581151	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+3ACN+2H"	125.094202
"1711915"	342.094785	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+NH4+CF3COOH"	132.026685
"1646471"	347.05018	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+Na+CF3COOH"	136.98208
"1577748"	363.02412	"C20226"	"Benzil;12-Diphenylethane-12-dione"	"C14H10O2"	"210.0681"	"M+K+CF3COOH"	152.95602
"808112"	212.0837	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M"	0
"978363"	193.06531	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"67699"	140.381857333333	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"509444"	211.076424	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"882871"	69.6872906666667	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"3266"	211.076424	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"441855"	317.118274	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"819535"	105.034574	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"82445"	423.160124	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"524922"	635.243824	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"908205"	211.076424	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"60274"	440.186671	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"501412"	652.270371	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"877631"	228.102971	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"45898"	445.142066	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"484852"	657.225766	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"860832"	233.058366	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1630363"	233.058366	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"102520"	229.064763	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"542079"	335.106613	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"935592"	123.022913	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"273060"	459.136802	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"665481"	671.220502	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1278982"	247.053102	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"24820"	461.116006	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"466943"	673.199706	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"843286"	249.032306	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1568229"	249.032306	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"953199"	257.081894	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"371416"	469.165601	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"355659"	483.181251	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1498294"	271.097551	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"964741"	279.063851	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"114742"	247.053102	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"554667"	353.094952	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1034048"	141.011252	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1252169"	291.002585	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1313523"	293.058572	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1328834"	315.040529	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"924627"	325.069286	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1301699"	361.045964	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1378766"	177.071024	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1391158"	195.081	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"289750"	425.174676	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"685819"	637.258376	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1356336"	213.090976	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"129224"	213.090976	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"570972"	319.132826	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1038309"	107.049126	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"205848"	142.396409333333	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"651609"	213.090976	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1177644"	71.7018426666667	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"437390"	442.201223	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"799477"	654.284923	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1693617"	230.117523	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"338618"	221.6042495	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"734322"	327.6460995	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1489232"	115.5623995	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"400257"	447.156618	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"764533"	659.240318	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1613730"	235.072918	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"327043"	224.081947	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"719465"	330.123797	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1471097"	118.040097	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1062154"	79.0291566666667	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1269309"	245.117186	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"392582"	463.130558	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"753007"	675.214258	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1553479"	251.046858	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"309194"	232.068917	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"700525"	338.110767	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1453248"	126.027067	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"241848"	466.201226	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1222219"	254.117526	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1208659"	127.562401	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"203352"	469.13856	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"641817"	681.22226	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1146052"	257.05486	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"182049"	235.072918	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"619421"	341.114768	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1122928"	129.031068	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1406450"	86.3564706666667	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1441492"	259.096446	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"232285"	240.10594	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1521437"	273.14849	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"422953"	243.059888	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"783582"	349.101738	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1679911"	137.018038	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"264243"	488.183168	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1236951"	276.099468	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1724743"	276.122993	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1191922"	93.6837846666667	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1661087"	281.078388	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"162116"	501.08644	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"605320"	713.17014	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1093112"	289.00274	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"146652"	251.046858	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"593883"	357.088708	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1080950"	145.005008	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1114519"	291.017292	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1349444"	291.104907	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1019436"	295.144076	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1537919"	296.137708	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"1004981"	148.075676	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1601063"	297.052328	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1428911"	327.083838	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1162115"	168.588951	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1712581"	344.110385	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1649133"	349.06578	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1581138"	365.03972	"C20227"	"(S)-Benzoin"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"804942"	212.0837	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M"	0
"975678"	193.06531	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-H2O-H"	-19.01839
"65622"	140.381857333333	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M-3H"	-3.021828
"504086"	211.076424	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M-3H"	-3.021828
"879960"	69.6872906666667	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-3H"	-3.021828
"7022"	211.076424	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H"	-2.014552
"440262"	317.118274	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H"	-2.014552
"817942"	105.034574	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H"	-2.014552
"80368"	423.160124	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M-H"	-1.007276
"522846"	635.243824	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M-H"	-1.007276
"907219"	211.076424	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-H"	-1.007276
"60504"	440.186671	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H+NH4"	16.019271
"500062"	652.270371	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H+NH4"	16.019271
"876769"	228.102971	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H+NH4"	16.019271
"43576"	445.142066	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H+Na"	20.974666
"483137"	657.225766	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H+Na"	20.974666
"859846"	233.058366	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H+Na"	20.974666
"1630473"	233.058366	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na-2H"	20.974666
"103723"	229.064763	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M-H+Cl"	33.962126
"542189"	335.106613	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M-H+Cl"	33.962126
"935702"	123.022913	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+Cl"	33.962126
"272077"	459.136802	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Cl"	34.969402
"665591"	671.220502	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+Cl"	34.969402
"1279092"	247.053102	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl"	34.969402
"22743"	461.116006	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M-2H+K"	36.948606
"468511"	673.199706	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M-2H+K"	36.948606
"845583"	249.032306	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-2H+K"	36.948606
"1567974"	249.032306	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+K-2H"	36.948606
"954765"	257.081894	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+HCOOH"	44.998194
"371890"	469.165601	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+HCOOH-H"	44.998201
"356862"	483.181251	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Hac-H"	59.013851
"1500227"	271.097551	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Hac-H"	59.013851
"965580"	279.063851	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+NaCOOH"	66.980151
"114852"	247.053102	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2Cl"	69.938804
"555870"	353.094952	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2Cl"	69.938804
"1033428"	141.011252	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2Cl"	69.938804
"1254834"	291.002585	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Br"	78.918885
"1312541"	293.058572	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl+HCOOH"	80.974872
"1332225"	315.040529	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl+NaCOOH"	102.956829
"925226"	325.069286	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M-H+CF3COOH"	112.985586
"1301079"	361.045964	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Cl+CF3COOH"	148.962264
"1380699"	177.071024	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H-2H2O"	-35.012676
"1392361"	195.081	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H-H2O"	-17.0027
"289860"	425.174676	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H"	1.007276
"685929"	637.258376	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H"	1.007276
"1353287"	213.090976	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H"	1.007276
"127508"	213.090976	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2H"	2.014552
"568896"	319.132826	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2H"	2.014552
"1038177"	107.049126	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2H"	2.014552
"205957"	142.396409333333	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+3H"	3.021828
"649532"	213.090976	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+3H"	3.021828
"1178371"	71.7018426666667	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+3H"	3.021828
"437500"	442.201223	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+NH4"	18.033823
"796307"	654.284923	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+NH4"	18.033823
"1692635"	230.117523	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+NH4"	18.033823
"339820"	221.6042495	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H+NH4"	19.041099
"735162"	327.6460995	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H+NH4"	19.041099
"1487156"	115.5623995	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+NH4"	19.041099
"399273"	447.156618	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Na"	22.989218
"764643"	659.240318	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+Na"	22.989218
"1613841"	235.072918	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na"	22.989218
"326060"	224.081947	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H+Na"	23.996494
"720668"	330.123797	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H+Na"	23.996494
"1471207"	118.040097	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+Na"	23.996494
"1063357"	79.0291566666667	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2H+Na"	25.00377
"1268320"	245.117186	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+CH3OH+H"	33.033486
"390541"	463.130558	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+K"	38.963158
"751172"	675.214258	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+K"	38.963158
"1551037"	251.046858	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+K"	38.963158
"304931"	232.068917	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+H+K"	39.970434
"700635"	338.110767	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+H+K"	39.970434
"1451536"	126.027067	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+K"	39.970434
"240864"	466.201226	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+ACN+H"	42.033826
"1220143"	254.117526	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+ACN+H"	42.033826
"1208405"	127.562401	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+ACN+2H"	43.041102
"203826"	469.13856	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2Na-H"	44.97116
"640833"	681.22226	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2Na-H"	44.97116
"1144704"	257.05486	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2Na-H"	44.97116
"179973"	235.072918	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2Na"	45.978436
"617344"	341.114768	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2Na"	45.978436
"1120852"	129.031068	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2Na"	45.978436
"1405467"	86.3564706666667	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+2Na"	46.985712
"1441960"	259.096446	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+HCOOH"	47.012746
"232384"	240.10594	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+3H2O+2H"	56.04448
"1515343"	273.14849	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+IsoProp+H"	61.06479
"412840"	243.059888	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+Na+K"	61.952376
"778210"	349.101738	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+Na+K"	61.952376
"1674916"	137.018038	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na+K"	61.952376
"260710"	488.183168	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+ACN+Na"	64.015768
"1235605"	276.099468	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+ACN+Na"	64.015768
"1721573"	276.122993	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+NH4+HCOOH"	64.039293
"1190940"	93.6837846666667	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+3Na"	68.967654
"1660833"	281.078388	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na+HCOOH"	68.994688
"163684"	501.08644	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2K-H"	76.91904
"607617"	713.17014	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2K-H"	76.91904
"1093222"	289.00274	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2K-H"	76.91904
"146762"	251.046858	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"2M+2K"	77.926316
"592887"	357.088708	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"3M+2K"	77.926316
"1083603"	145.005008	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2K"	77.926316
"1112448"	291.017292	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2K+H"	78.933592
"1348099"	291.104907	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+DMSO+H"	79.021207
"1018817"	295.144076	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2ACN+H"	83.060376
"1538029"	296.137708	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+IsoProp+Na+H"	84.054008
"1002905"	148.075676	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+2ACN+2H"	84.067652
"1601906"	297.052328	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+K+HCOOH"	84.968628
"1427563"	327.083838	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+H+CF3COOH"	115.000138
"1162346"	168.588951	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+3ACN+2H"	125.094202
"1712341"	344.110385	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+NH4+CF3COOH"	132.026685
"1649607"	349.06578	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+Na+CF3COOH"	136.98208
"1581248"	365.03972	"C20228"	"(R)-Benzoin"	"C14H12O2"	"212.0837"	"M+K+CF3COOH"	152.95602
"808332"	220.1827	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M"	0
"976396"	201.16431	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"65732"	145.781190666667	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"505290"	219.175424	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"881997"	72.3869573333333	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"9318"	219.175424	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"441590"	329.266774	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"820120"	109.084074	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"81207"	439.358124	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"522226"	659.540824	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"905142"	219.175424	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"59521"	456.384671	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"500172"	676.567371	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"875786"	236.201971	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"44779"	461.340066	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"481060"	681.522766	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"859956"	241.157366	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1627303"	241.157366	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"102739"	237.163763	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"539019"	347.255113	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"932532"	127.072413	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"272187"	475.334802	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"665701"	695.517502	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1274095"	255.152102	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"23947"	477.314006	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"468985"	697.496706	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"845693"	257.131306	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1568084"	257.131306	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"950864"	265.180894	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"374912"	485.363601	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"356972"	499.379251	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1500337"	279.196551	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"965325"	287.162851	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"114962"	255.152102	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"555251"	365.243452	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1035605"	145.060752	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1256731"	299.101585	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1312651"	301.157572	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1333429"	323.139529	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"924121"	333.168286	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1299733"	369.144964	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1379352"	185.170024	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1393565"	203.18	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"288877"	441.372676	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"688591"	661.555376	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1356556"	221.189976	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H"	1.007276
"128347"	221.189976	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"569006"	331.281326	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1039988"	111.098626	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"206795"	147.795742666667	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"649642"	221.189976	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1178353"	74.4015093333333	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"435424"	458.399223	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"796417"	678.581923	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1692745"	238.216523	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"341024"	229.7032495	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"734543"	339.7945995	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1486173"	119.6118995	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"398291"	463.354618	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"765847"	683.537318	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1612857"	243.171918	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"326170"	232.180947	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"720778"	342.272297	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1470224"	122.089597	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1061281"	81.7288233333333	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1270982"	253.216186	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"391381"	479.328558	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"750188"	699.511258	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1551147"	259.145858	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+K"	38.963158
"301761"	240.167917	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"700745"	350.259267	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1450552"	130.076567	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"239152"	482.399226	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1218066"	262.216526	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1206327"	131.611901	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"199926"	485.33656	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"639118"	705.51926	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1139344"	265.15386	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"180083"	243.171918	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"614903"	353.263268	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1119869"	133.080568	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1400112"	89.0561373333333	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1440249"	267.195446	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"230308"	248.20494	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1516546"	281.24749	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"412950"	251.158888	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"773948"	361.250238	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1674661"	141.067538	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"263007"	504.381168	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1236079"	284.198468	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1721683"	284.221993	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1191050"	96.3834513333333	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1661306"	289.177388	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"169261"	517.28444	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"607727"	737.46714	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1092241"	297.10174	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"147233"	259.145858	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"592997"	369.237208	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1083832"	149.054508	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1114377"	299.116292	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1349302"	299.203907	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1019535"	303.243076	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1539237"	304.236708	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1004957"	152.125176	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1599089"	305.151328	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1429739"	335.182838	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1162687"	172.638451	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1712715"	352.209385	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1649353"	357.16478	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1578078"	373.13872	"C20229"	"10-Hydroxy-alpha-humulene"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"808442"	136.1252	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M"	0
"975413"	117.10681	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"65842"	89.7428573333333	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"504671"	135.117924	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"881014"	44.3677906666667	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"11615"	135.117924	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"441821"	203.180524	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"819138"	67.055324	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"83504"	271.243124	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"521607"	407.368324	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"905252"	135.117924	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"58537"	288.269671	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"492627"	424.394871	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"872616"	152.144471	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"38328"	293.225066	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"475702"	429.350266	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"858973"	157.099866	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1625225"	157.099866	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"102849"	153.106263	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"538036"	221.168863	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"935922"	85.043663	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"270110"	307.219802	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"662531"	443.345002	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1273028"	171.094602	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"19681"	309.199006	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"470556"	445.324206	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"846533"	173.073806	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1567100"	173.073806	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"953890"	181.123394	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"373200"	317.248601	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"353802"	331.264251	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1498260"	195.139051	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"959602"	203.105351	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"112883"	171.094602	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"554997"	239.157202	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1036686"	103.032002	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1255783"	215.044085	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1318596"	217.100072	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1332812"	239.082029	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"923138"	249.110786	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1301301"	285.087464	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1377273"	101.112524	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1391488"	119.1225	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"290080"	273.257676	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"688701"	409.382876	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1353386"	137.132476	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H"	1.007276
"128823"	137.132476	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"568022"	205.195076	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1040098"	69.069876	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"207028"	91.7574093333333	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"649752"	137.132476	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1177612"	46.3823426666667	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"436627"	290.284223	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"798713"	426.409423	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1695041"	154.159023	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"343320"	145.6457495	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"733560"	213.7083495	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1488469"	77.5831495	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"398401"	295.239618	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"763770"	431.364818	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1612603"	159.114418	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"324458"	148.123447	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"719796"	216.186047	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1469606"	80.060847	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1061391"	53.7096566666667	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1270728"	169.158686	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"391855"	311.213558	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"749568"	447.338758	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1550893"	175.088358	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+K"	38.963158
"304058"	156.110417	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"698669"	224.173017	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1450299"	88.047817	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"237805"	314.284226	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1218176"	178.159026	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1208263"	89.583151	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"200037"	317.22156	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"637771"	453.34676	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1139089"	181.09636	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"180193"	159.114418	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"615743"	227.177018	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1119979"	91.051818	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1400343"	61.0369706666667	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1438537"	183.137946	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"228596"	164.14744	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1516656"	197.18999	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"413060"	167.101388	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"772965"	235.163988	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1670390"	99.038788	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"258004"	336.266168	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1238005"	200.140968	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1719598"	200.164493	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1191519"	68.3642846666667	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1665057"	205.119888	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"169365"	349.16944	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"611967"	485.29464	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1099520"	213.04424	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"144791"	175.088358	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"593107"	243.150958	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1081996"	107.025758	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1113017"	215.058792	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1346121"	215.146407	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1020251"	219.185576	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1539223"	220.179208	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1004702"	110.096426	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1599199"	221.093828	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1428875"	251.125338	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1162648"	130.609701	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1712521"	268.151885	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1649666"	273.10728	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1578188"	289.08122	"C20230"	"()-Sabinene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"808552"	146.0328	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M"	0
"976250"	127.01441	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-H2O-H"	-19.01839
"65950"	96.347924	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M-3H"	-3.021828
"503115"	145.025524	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M-3H"	-3.021828
"882218"	47.670324	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-3H"	-3.021828
"8445"	145.025524	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M-2H"	-2.014552
"442539"	218.041924	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M-2H"	-2.014552
"819976"	72.009124	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-2H"	-2.014552
"81791"	291.058324	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M-H"	-1.007276
"522809"	437.091124	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M-H"	-1.007276
"905362"	145.025524	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-H"	-1.007276
"56459"	308.084871	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M-2H+NH4"	16.019271
"497842"	454.117671	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M-2H+NH4"	16.019271
"867257"	162.052071	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-2H+NH4"	16.019271
"35159"	313.040266	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M-2H+Na"	20.974666
"472894"	459.073066	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M-2H+Na"	20.974666
"852516"	167.007466	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-2H+Na"	20.974666
"1621318"	167.007466	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Na-2H"	20.974666
"94811"	163.013863	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M-H+Cl"	33.962126
"541427"	236.030263	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M-H+Cl"	33.962126
"934940"	89.997463	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-H+Cl"	33.962126
"270220"	327.035002	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+Cl"	34.969402
"660696"	473.067802	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+Cl"	34.969402
"1273339"	181.002202	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Cl"	34.969402
"19791"	329.014206	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M-2H+K"	36.948606
"471031"	475.047006	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M-2H+K"	36.948606
"845186"	182.981406	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-2H+K"	36.948606
"1566117"	182.981406	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+K-2H"	36.948606
"951814"	191.030994	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-H+HCOOH"	44.998194
"372217"	337.063801	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+HCOOH-H"	44.998201
"352819"	351.079451	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+Hac-H"	59.013851
"1495090"	205.046651	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Hac-H"	59.013851
"959348"	213.012951	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-H+NaCOOH"	66.980151
"111536"	181.002202	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+2Cl"	69.938804
"554743"	254.018602	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+2Cl"	69.938804
"1035945"	107.985802	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2Cl"	69.938804
"1257015"	224.951685	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Br"	78.918885
"1317246"	227.007672	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Cl+HCOOH"	80.974872
"1332556"	248.989629	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Cl+NaCOOH"	102.956829
"924341"	259.018386	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M-H+CF3COOH"	112.985586
"1301409"	294.995064	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Cl+CF3COOH"	148.962264
"1374101"	111.020124	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H-2H2O"	-35.012676
"1391598"	129.0301	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H-H2O"	-17.0027
"290190"	293.072876	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+H"	1.007276
"688811"	439.105676	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+H"	1.007276
"1353496"	147.040076	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H"	1.007276
"128568"	147.040076	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+2H"	2.014552
"568132"	220.056476	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+2H"	2.014552
"1040208"	74.023676	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2H"	2.014552
"207016"	98.362476	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+3H"	3.021828
"649862"	147.040076	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+3H"	3.021828
"1178207"	49.684876	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+3H"	3.021828
"436737"	310.099423	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+NH4"	18.033823
"796637"	456.132223	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+NH4"	18.033823
"1691871"	164.066623	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+NH4"	18.033823
"341243"	155.5533495	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+H+NH4"	19.041099
"734763"	228.5697495	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+H+NH4"	19.041099
"1488579"	82.5369495	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H+NH4"	19.041099
"398511"	315.054818	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+Na"	22.989218
"766069"	461.087618	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+Na"	22.989218
"1611984"	169.022018	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Na"	22.989218
"324932"	158.031047	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+H+Na"	23.996494
"712250"	231.047447	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+H+Na"	23.996494
"1470444"	85.014647	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H+Na"	23.996494
"1060407"	57.01219	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2H+Na"	25.00377
"1269380"	179.066286	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+CH3OH+H"	33.033486
"390143"	331.028758	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+K"	38.963158
"748585"	477.061558	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+K"	38.963158
"1550639"	184.995958	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+K"	38.963158
"305261"	166.018017	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+H+K"	39.970434
"697686"	239.034417	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+H+K"	39.970434
"1450409"	93.001617	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H+K"	39.970434
"241196"	334.099426	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+ACN+H"	42.033826
"1216100"	188.066626	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+ACN+H"	42.033826
"1202178"	94.536951	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+ACN+2H"	43.041102
"200147"	337.03676	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+2Na-H"	44.97116
"635695"	483.06956	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+2Na-H"	44.97116
"1140292"	191.00396	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2Na-H"	44.97116
"180303"	169.022018	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+2Na"	45.978436
"615489"	242.038418	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+2Na"	45.978436
"1120089"	96.005618	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2Na"	45.978436
"1404707"	64.339504	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H+2Na"	46.985712
"1436825"	193.045546	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H+HCOOH"	47.012746
"228706"	174.05504	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+3H2O+2H"	56.04448
"1513487"	207.09759	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+IsoProp+H"	61.06479
"412077"	177.008988	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+Na+K"	61.952376
"772703"	250.025388	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+Na+K"	61.952376
"1668310"	103.992588	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Na+K"	61.952376
"258114"	356.081368	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+ACN+Na"	64.015768
"1227538"	210.048568	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+ACN+Na"	64.015768
"1715336"	210.072093	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+NH4+HCOOH"	64.039293
"1191628"	71.666818	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+3Na"	68.967654
"1662615"	215.027488	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Na+HCOOH"	68.994688
"166196"	368.98464	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+2K-H"	76.91904
"606850"	515.01744	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+2K-H"	76.91904
"1097924"	222.95184	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2K-H"	76.91904
"143807"	184.995958	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"2M+2K"	77.926316
"592124"	258.012358	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"3M+2K"	77.926316
"1081013"	111.979558	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2K"	77.926316
"1112034"	224.966392	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2K+H"	78.933592
"1346231"	225.054007	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+DMSO+H"	79.021207
"1019872"	229.093176	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2ACN+H"	83.060376
"1537267"	230.086808	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+IsoProp+Na+H"	84.054008
"1004809"	115.050226	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+2ACN+2H"	84.067652
"1598216"	231.001428	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+K+HCOOH"	84.968628
"1429862"	261.032938	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+H+CF3COOH"	115.000138
"1162681"	135.563501	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+3ACN+2H"	125.094202
"1708091"	278.059485	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+NH4+CF3COOH"	132.026685
"1643740"	283.01488	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+Na+CF3COOH"	136.98208
"1578298"	298.98882	"C20231"	"(Z)-3-Ureidoacrylate peracid;Ureidoperacrylic acid"	"C4H6N2O4"	"146.0328"	"M+K+CF3COOH"	152.95602
"808662"	160.0484	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M"	0
"975995"	141.03001	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-H2O-H"	-19.01839
"65332"	105.691657333333	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M-3H"	-3.021828
"503432"	159.041124	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M-3H"	-3.021828
"883419"	52.3421906666667	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-3H"	-3.021828
"12929"	159.041124	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M-2H"	-2.014552
"443013"	239.065324	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M-2H"	-2.014552
"819722"	79.016924	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-2H"	-2.014552
"81900"	319.089524	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M-H"	-1.007276
"522555"	479.137924	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M-H"	-1.007276
"905472"	159.041124	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-H"	-1.007276
"55476"	336.116071	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M-2H+NH4"	16.019271
"495037"	496.164471	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M-2H+NH4"	16.019271
"867367"	176.067671	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-2H+NH4"	16.019271
"37455"	341.071466	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M-2H+Na"	20.974666
"474096"	501.119866	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M-2H+Na"	20.974666
"851530"	181.023066	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-2H+Na"	20.974666
"1621064"	181.023066	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Na-2H"	20.974666
"94962"	177.029463	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M-H+Cl"	33.962126
"541537"	257.053663	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M-H+Cl"	33.962126
"933957"	97.005263	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-H+Cl"	33.962126
"272517"	355.066202	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+Cl"	34.969402
"662021"	515.114602	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+Cl"	34.969402
"1275518"	195.017802	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Cl"	34.969402
"16857"	357.045406	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M-2H+K"	36.948606
"470818"	517.093806	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M-2H+K"	36.948606
"847848"	196.997006	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-2H+K"	36.948606
"1566227"	196.997006	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+K-2H"	36.948606
"950831"	205.046594	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-H+HCOOH"	44.998194
"373421"	365.095001	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+HCOOH-H"	44.998201
"352929"	379.110651	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+Hac-H"	59.013851
"1498480"	219.062251	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Hac-H"	59.013851
"959822"	227.028551	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-H+NaCOOH"	66.980151
"112374"	195.017802	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+2Cl"	69.938804
"555217"	275.042002	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+2Cl"	69.938804
"1035329"	114.993602	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2Cl"	69.938804
"1254908"	238.967285	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Br"	78.918885
"1314073"	241.023272	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Cl+HCOOH"	80.974872
"1332300"	263.005229	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Cl+NaCOOH"	102.956829
"924449"	273.033986	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M-H+CF3COOH"	112.985586
"1300426"	309.010664	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Cl+CF3COOH"	148.962264
"1370566"	125.035724	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H-2H2O"	-35.012676
"1384417"	143.0457	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H-H2O"	-17.0027
"284468"	321.104076	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+H"	1.007276
"680537"	481.152476	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+H"	1.007276
"1352997"	161.055676	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H"	1.007276
"128311"	161.055676	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+2H"	2.014552
"567148"	241.079876	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+2H"	2.014552
"1038251"	81.031476	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2H"	2.014552
"204938"	107.706209333333	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+3H"	3.021828
"649972"	161.055676	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+3H"	3.021828
"1178157"	54.3567426666667	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+3H"	3.021828
"438549"	338.130623	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+NH4"	18.033823
"799298"	498.179023	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+NH4"	18.033823
"1694168"	178.082223	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+NH4"	18.033823
"342446"	169.5689495	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+H+NH4"	19.041099
"735966"	249.5931495	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+H+NH4"	19.041099
"1487596"	89.5447495	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H+NH4"	19.041099
"399714"	343.086018	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+Na"	22.989218
"765085"	503.134418	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+Na"	22.989218
"1612094"	183.037618	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Na"	22.989218
"325406"	172.046647	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+H+Na"	23.996494
"714546"	252.070847	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+H+Na"	23.996494
"1470554"	92.022447	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H+Na"	23.996494
"1060517"	61.6840566666667	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2H+Na"	25.00377
"1269489"	193.081886	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+CH3OH+H"	33.033486
"390982"	359.059958	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+K"	38.963158
"749423"	519.108358	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+K"	38.963158
"1549288"	199.011558	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+K"	38.963158
"304277"	180.033617	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+H+K"	39.970434
"694880"	260.057817	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+H+K"	39.970434
"1448331"	100.009417	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H+K"	39.970434
"239117"	362.130626	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+ACN+H"	42.033826
"1218396"	202.082226	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+ACN+H"	42.033826
"1204474"	101.544751	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+ACN+2H"	43.041102
"200257"	365.06796	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+2Na-H"	44.97116
"637991"	525.11636	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+2Na-H"	44.97116
"1140402"	205.01956	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2Na-H"	44.97116
"177133"	183.037618	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+2Na"	45.978436
"616692"	263.061818	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+2Na"	45.978436
"1120199"	103.013418	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2Na"	45.978436
"1405910"	69.0113706666667	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H+2Na"	46.985712
"1436935"	207.061146	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H+HCOOH"	47.012746
"228816"	188.07064	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+3H2O+2H"	56.04448
"1513597"	221.11319	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+IsoProp+H"	61.06479
"412188"	191.024588	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+Na+K"	61.952376
"771358"	271.048788	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+Na+K"	61.952376
"1668419"	111.000388	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Na+K"	61.952376
"258224"	384.112568	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+ACN+Na"	64.015768
"1226554"	224.064168	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+ACN+Na"	64.015768
"1716539"	224.087693	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+NH4+HCOOH"	64.039293
"1189551"	76.3386846666667	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+3Na"	68.967654
"1658351"	229.043088	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Na+HCOOH"	68.994688
"163023"	397.01584	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+2K-H"	76.91904
"602586"	557.06424	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+2K-H"	76.91904
"1094753"	236.96744	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2K-H"	76.91904
"151568"	199.011558	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"2M+2K"	77.926316
"587855"	279.035758	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"3M+2K"	77.926316
"1083676"	118.987358	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2K"	77.926316
"1113237"	238.981992	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2K+H"	78.933592
"1346341"	239.069607	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+DMSO+H"	79.021207
"1020349"	243.108776	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2ACN+H"	83.060376
"1537742"	244.102408	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+IsoProp+Na+H"	84.054008
"1002979"	122.058026	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+2ACN+2H"	84.067652
"1598326"	245.017028	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+K+HCOOH"	84.968628
"1429812"	275.048538	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+H+CF3COOH"	115.000138
"1162423"	142.571301	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+3ACN+2H"	125.094202
"1708929"	292.075085	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+NH4+CF3COOH"	132.026685
"1643850"	297.03048	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+Na+CF3COOH"	136.98208
"1578408"	313.00442	"C20232"	"(Z)-2-Methylureidoacrylate peracid"	"C5H8N2O4"	"160.0484"	"M+K+CF3COOH"	152.95602
"808772"	264.1838	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M"	0
"977929"	245.16541	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H2O-H"	-19.01839
"68358"	175.115257333333	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-3H"	-3.021828
"509011"	263.176524	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-3H"	-3.021828
"884624"	87.0539906666667	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-3H"	-3.021828
"5384"	263.176524	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H"	-2.014552
"443853"	395.268424	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H"	-2.014552
"820197"	131.084624	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H"	-2.014552
"83832"	527.360324	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-H"	-1.007276
"524484"	791.544124	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-H"	-1.007276
"905582"	263.176524	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H"	-1.007276
"55585"	544.386871	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H+NH4"	16.019271
"497332"	808.570671	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H+NH4"	16.019271
"868570"	280.203071	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H+NH4"	16.019271
"37565"	549.342266	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H+Na"	20.974666
"475299"	813.526066	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H+Na"	20.974666
"853827"	285.158466	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H+Na"	20.974666
"1622267"	285.158466	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na-2H"	20.974666
"97703"	281.164863	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-H+Cl"	33.962126
"536538"	413.256763	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-H+Cl"	33.962126
"929693"	149.072963	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+Cl"	33.962126
"272627"	563.337002	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Cl"	34.969402
"663953"	827.520802	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+Cl"	34.969402
"1275264"	299.153202	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl"	34.969402
"17328"	565.316206	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M-2H+K"	36.948606
"470397"	829.500006	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M-2H+K"	36.948606
"845038"	301.132406	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-2H+K"	36.948606
"1567431"	301.132406	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K-2H"	36.948606
"950941"	309.181994	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+HCOOH"	44.998194
"370251"	573.365801	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+HCOOH-H"	44.998201
"354132"	587.381451	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Hac-H"	59.013851
"1496038"	323.197651	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Hac-H"	59.013851
"959928"	331.163951	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+NaCOOH"	66.980151
"110659"	299.153202	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2Cl"	69.938804
"554963"	431.245102	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2Cl"	69.938804
"1036046"	167.061302	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2Cl"	69.938804
"1254287"	343.102685	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Br"	78.918885
"1318193"	345.158672	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl+HCOOH"	80.974872
"1332775"	367.140629	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl+NaCOOH"	102.956829
"925652"	377.169386	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M-H+CF3COOH"	112.985586
"1300536"	413.146064	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Cl+CF3COOH"	148.962264
"1370676"	229.171124	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H-2H2O"	-35.012676
"1384163"	247.1811	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H-H2O"	-17.0027
"284578"	529.374876	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H"	1.007276
"680647"	793.558676	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H"	1.007276
"1353714"	265.191076	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H"	1.007276
"126599"	265.191076	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2H"	2.014552
"566649"	397.282976	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2H"	2.014552
"1038604"	133.099176	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2H"	2.014552
"205048"	177.129809333333	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+3H"	3.021828
"651175"	265.191076	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+3H"	3.021828
"1178375"	89.0685426666667	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+3H"	3.021828
"438413"	546.401423	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+NH4"	18.033823
"798680"	810.585223	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+NH4"	18.033823
"1695376"	282.217623	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+NH4"	18.033823
"344381"	273.7043495	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H+NH4"	19.041099
"737172"	405.7962495	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H+NH4"	19.041099
"1490987"	141.6124495	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+NH4"	19.041099
"402012"	551.356818	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Na"	22.989218
"766288"	815.540618	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+Na"	22.989218
"1615483"	287.173018	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na"	22.989218
"322236"	276.182047	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H+Na"	23.996494
"714656"	408.273947	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H+Na"	23.996494
"1471757"	144.090147	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+Na"	23.996494
"1061720"	96.3958566666667	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2H+Na"	25.00377
"1269962"	297.217286	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+CH3OH+H"	33.033486
"392187"	567.330758	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+K"	38.963158
"753179"	831.514558	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+K"	38.963158
"1549399"	303.146958	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K"	38.963158
"304388"	284.169017	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+H+K"	39.970434
"697902"	416.260917	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+H+K"	39.970434
"1447712"	152.077117	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+K"	39.970434
"239227"	570.401426	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+ACN+H"	42.033826
"1218506"	306.217626	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+ACN+H"	42.033826
"1204583"	153.612451	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+ACN+2H"	43.041102
"197452"	573.33876	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2Na-H"	44.97116
"635914"	837.52256	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2Na-H"	44.97116
"1138325"	309.15496	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2Na-H"	44.97116
"176150"	287.173018	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2Na"	45.978436
"616802"	419.264918	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2Na"	45.978436
"1119216"	155.081118	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2Na"	45.978436
"1407114"	103.723170666667	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+2Na"	46.985712
"1435952"	311.196546	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+HCOOH"	47.012746
"230019"	292.20604	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+3H2O+2H"	56.04448
"1515893"	325.24859	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+H"	61.06479
"413391"	295.159988	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+Na+K"	61.952376
"773292"	427.251888	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+Na+K"	61.952376
"1666708"	163.068088	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na+K"	61.952376
"259426"	592.383368	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+ACN+Na"	64.015768
"1227029"	328.199568	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+ACN+Na"	64.015768
"1719928"	328.223093	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+NH4+HCOOH"	64.039293
"1186381"	111.050484666667	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+3Na"	68.967654
"1658459"	333.178488	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na+HCOOH"	68.994688
"164228"	605.28664	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2K-H"	76.91904
"604883"	869.47044	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2K-H"	76.91904
"1092675"	341.10284	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2K-H"	76.91904
"148398"	303.146958	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"2M+2K"	77.926316
"586872"	435.238858	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"3M+2K"	77.926316
"1074669"	171.055058	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2K"	77.926316
"1113347"	343.117392	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2K+H"	78.933592
"1339890"	343.205007	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+DMSO+H"	79.021207
"1020095"	347.244176	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2ACN+H"	83.060376
"1535297"	348.237808	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+IsoProp+Na+H"	84.054008
"1004668"	174.125726	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+2ACN+2H"	84.067652
"1598436"	349.152428	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K+HCOOH"	84.968628
"1428838"	379.183938	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+H+CF3COOH"	115.000138
"1162289"	194.639001	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+3ACN+2H"	125.094202
"1708310"	396.210485	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+NH4+CF3COOH"	132.026685
"1642867"	401.16588	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+Na+CF3COOH"	136.98208
"1578518"	417.13982	"C20233"	"17-Hydroxylupanine"	"C15H24N2O2"	"264.1838"	"M+K+CF3COOH"	152.95602
"808882"	187.0957	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M"	0
"978039"	168.07731	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-H2O-H"	-19.01839
"68468"	123.723190666667	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M-3H"	-3.021828
"505841"	186.088424	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M-3H"	-3.021828
"883641"	61.3579573333333	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-3H"	-3.021828
"2213"	186.088424	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M-2H"	-2.014552
"443962"	279.636274	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M-2H"	-2.014552
"819213"	92.540574	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-2H"	-2.014552
"82848"	373.184124	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M-H"	-1.007276
"524595"	560.279824	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M-H"	-1.007276
"905692"	186.088424	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-H"	-1.007276
"57881"	390.210671	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M-2H+NH4"	16.019271
"498535"	577.306371	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M-2H+NH4"	16.019271
"870865"	203.114971	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-2H+NH4"	16.019271
"38767"	395.166066	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M-2H+Na"	20.974666
"477231"	582.261766	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M-2H+Na"	20.974666
"852844"	208.070366	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-2H+Na"	20.974666
"1621282"	208.070366	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Na-2H"	20.974666
"95990"	204.076763	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M-H+Cl"	33.962126
"536284"	297.624613	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M-H+Cl"	33.962126
"930167"	110.528913	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-H+Cl"	33.962126
"279297"	409.160802	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+Cl"	34.969402
"667344"	596.256502	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+Cl"	34.969402
"1277561"	222.065102	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Cl"	34.969402
"16954"	411.140006	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M-2H+K"	36.948606
"468797"	598.235706	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M-2H+K"	36.948606
"846241"	224.044306	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-2H+K"	36.948606
"1565353"	224.044306	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+K-2H"	36.948606
"951051"	232.093894	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-H+HCOOH"	44.998194
"367081"	419.189601	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+HCOOH-H"	44.998201
"350962"	433.205251	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+Hac-H"	59.013851
"1499795"	246.109551	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Hac-H"	59.013851
"965148"	254.075851	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-H+NaCOOH"	66.980151
"111499"	222.065102	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+2Cl"	69.938804
"553612"	315.612952	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+2Cl"	69.938804
"1035548"	128.517252	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2Cl"	69.938804
"1254033"	266.014585	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Br"	78.918885
"1311013"	268.070572	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Cl+HCOOH"	80.974872
"1330696"	290.052529	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Cl+NaCOOH"	102.956829
"922846"	300.081286	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M-H+CF3COOH"	112.985586
"1300646"	336.057964	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Cl+CF3COOH"	148.962264
"1371514"	152.083024	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H-2H2O"	-35.012676
"1389742"	170.093	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H-H2O"	-17.0027
"287969"	375.198676	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+H"	1.007276
"680757"	562.294376	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+H"	1.007276
"1353824"	188.102976	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H"	1.007276
"126834"	188.102976	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+2H"	2.014552
"567730"	281.650826	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+2H"	2.014552
"1040903"	94.555126	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2H"	2.014552
"207346"	125.737742666667	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+3H"	3.021828
"651285"	188.102976	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+3H"	3.021828
"1177806"	63.3725093333333	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+3H"	3.021828
"435969"	392.225223	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+NH4"	18.033823
"795870"	579.320923	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+NH4"	18.033823
"1695482"	205.129523	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+NH4"	18.033823
"342667"	196.6162495	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+H+NH4"	19.041099
"735096"	290.1640995	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+H+NH4"	19.041099
"1491097"	103.0683995	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H+NH4"	19.041099
"402122"	397.180618	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+Na"	22.989218
"762023"	584.276318	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+Na"	22.989218
"1613406"	210.084918	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Na"	22.989218
"323438"	199.093947	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+H+Na"	23.996494
"715859"	292.641797	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+H+Na"	23.996494
"1474053"	105.546097	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H+Na"	23.996494
"1066203"	70.6998233333333	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2H+Na"	25.00377
"1267885"	220.129186	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+CH3OH+H"	33.033486
"391936"	413.154558	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+K"	38.963158
"750737"	600.250258	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+K"	38.963158
"1547322"	226.058858	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+K"	38.963158
"302311"	207.080917	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+H+K"	39.970434
"694729"	300.628767	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+H+K"	39.970434
"1447092"	113.533067	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H+K"	39.970434
"239337"	416.225226	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+ACN+H"	42.033826
"1220802"	229.129526	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+ACN+H"	42.033826
"1206517"	115.068401	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+ACN+2H"	43.041102
"200842"	419.16256	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+2Na-H"	44.97116
"636024"	606.25826	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+2Na-H"	44.97116
"1137342"	232.06686	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2Na-H"	44.97116
"185010"	210.084918	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+2Na"	45.978436
"620195"	303.632768	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+2Na"	45.978436
"1129534"	116.537068	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2Na"	45.978436
"1408318"	78.0271373333333	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H+2Na"	46.985712
"1440434"	234.108446	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H+HCOOH"	47.012746
"231222"	215.11794	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+3H2O+2H"	56.04448
"1514910"	248.16049	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+IsoProp+H"	61.06479
"412408"	218.071888	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+Na+K"	61.952376
"773402"	311.619738	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+Na+K"	61.952376
"1667547"	124.524038	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Na+K"	61.952376
"259536"	438.207168	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+ACN+Na"	64.015768
"1227140"	251.111468	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+ACN+Na"	64.015768
"1720038"	251.134993	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+NH4+HCOOH"	64.039293
"1189770"	85.3544513333333	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+3Na"	68.967654
"1659662"	256.090388	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Na+HCOOH"	68.994688
"165431"	451.11044	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+2K-H"	76.91904
"604992"	638.20614	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+2K-H"	76.91904
"1091690"	264.01474	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2K-H"	76.91904
"150694"	226.058858	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"2M+2K"	77.926316
"595487"	319.606708	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"3M+2K"	77.926316
"1082435"	132.511008	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2K"	77.926316
"1112364"	266.029292	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2K+H"	78.933592
"1346561"	266.116907	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+DMSO+H"	79.021207
"1019477"	270.156076	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2ACN+H"	83.060376
"1536500"	271.149708	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+IsoProp+Na+H"	84.054008
"1004536"	135.581676	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+2ACN+2H"	84.067652
"1598546"	272.064328	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+K+HCOOH"	84.968628
"1428583"	302.095838	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+H+CF3COOH"	115.000138
"1161788"	156.094951	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+3ACN+2H"	125.094202
"1711338"	319.122385	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+NH4+CF3COOH"	132.026685
"1648447"	324.07778	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+Na+CF3COOH"	136.98208
"1578628"	340.05172	"C20234"	"5-Guanidino-3-methyl-2-oxopentanoate;5-Carbamimidamido-3-methyl-2-oxopentanoate"	"C7H13N3O3"	"187.0957"	"M+K+CF3COOH"	152.95602
"807899"	328.0841	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M"	0
"977056"	309.06571	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-H2O-H"	-19.01839
"66391"	217.715457333333	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M-3H"	-3.021828
"505951"	327.076824	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M-3H"	-3.021828
"881685"	108.354090666667	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-3H"	-3.021828
"1230"	327.076824	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M-2H"	-2.014552
"442979"	491.118874	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M-2H"	-2.014552
"818960"	163.034774	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-2H"	-2.014552
"82958"	655.160924	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M-H"	-1.007276
"523614"	983.245024	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M-H"	-1.007276
"907988"	327.076824	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-H"	-1.007276
"59084"	672.187471	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M-2H+NH4"	16.019271
"499738"	1000.271571	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M-2H+NH4"	16.019271
"869882"	344.103371	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-2H+NH4"	16.019271
"36691"	677.142866	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M-2H+Na"	20.974666
"475519"	1005.226966	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M-2H+Na"	20.974666
"851133"	349.058766	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-2H+Na"	20.974666
"1621394"	349.058766	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Na-2H"	20.974666
"95009"	345.065163	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M-H+Cl"	33.962126
"537490"	509.107213	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M-H+Cl"	33.962126
"928089"	181.023113	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-H+Cl"	33.962126
"279407"	691.137602	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+Cl"	34.969402
"666361"	1019.221702	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+Cl"	34.969402
"1276578"	363.053502	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Cl"	34.969402
"17308"	693.116806	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M-2H+K"	36.948606
"470122"	1021.200906	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M-2H+K"	36.948606
"847444"	365.032706	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-2H+K"	36.948606
"1564369"	365.032706	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+K-2H"	36.948606
"948974"	373.082294	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-H+HCOOH"	44.998194
"368283"	701.166401	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+HCOOH-H"	44.998201
"351072"	715.182051	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+Hac-H"	59.013851
"1502091"	387.097951	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Hac-H"	59.013851
"965258"	395.064251	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-H+NaCOOH"	66.980151
"111610"	363.053502	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+2Cl"	69.938804
"554087"	527.095552	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+2Cl"	69.938804
"1034929"	199.011452	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2Cl"	69.938804
"1254143"	407.002985	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Br"	78.918885
"1318049"	409.058972	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Cl+HCOOH"	80.974872
"1330806"	431.040929	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Cl+NaCOOH"	102.956829
"922593"	441.069686	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M-H+CF3COOH"	112.985586
"1298570"	477.046364	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Cl+CF3COOH"	148.962264
"1371260"	293.071424	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H-2H2O"	-35.012676
"1385476"	311.0814	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H-H2O"	-17.0027
"290631"	657.175476	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+H"	1.007276
"680867"	985.259576	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+H"	1.007276
"1353570"	329.091376	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H"	1.007276
"127917"	329.091376	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+2H"	2.014552
"568570"	493.133426	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+2H"	2.014552
"1039917"	165.049326	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2H"	2.014552
"206724"	219.730009333333	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+3H"	3.021828
"644827"	329.091376	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+3H"	3.021828
"1177911"	110.368642666667	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+3H"	3.021828
"431705"	674.202023	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+NH4"	18.033823
"792700"	1002.286123	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+NH4"	18.033823
"1692312"	346.117923	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+NH4"	18.033823
"341684"	337.6046495	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+H+NH4"	19.041099
"736297"	501.6466995	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+H+NH4"	19.041099
"1487927"	173.5625995	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H+NH4"	19.041099
"404418"	679.157418	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+Na"	22.989218
"763225"	1007.241518	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+Na"	22.989218
"1614608"	351.073318	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Na"	22.989218
"321361"	340.082347	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+H+Na"	23.996494
"713782"	504.124397	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+H+Na"	23.996494
"1467602"	176.040297	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H+Na"	23.996494
"1063033"	117.695956666667	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2H+Na"	25.00377
"1269088"	361.117586	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+CH3OH+H"	33.033486
"392570"	695.131358	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+K"	38.963158
"750847"	1023.215458	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+K"	38.963158
"1547432"	367.047258	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+K"	38.963158
"303514"	348.069317	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+H+K"	39.970434
"693746"	512.111367	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+H+K"	39.970434
"1447565"	184.027267	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H+K"	39.970434
"239081"	698.202026	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+ACN+H"	42.033826
"1220912"	370.117926	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+ACN+H"	42.033826
"1203710"	185.562601	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+ACN+2H"	43.041102
"200949"	701.13936	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+2Na-H"	44.97116
"636134"	1029.22346	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+2Na-H"	44.97116
"1136359"	373.05526	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2Na-H"	44.97116
"179651"	351.073318	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+2Na"	45.978436
"617024"	515.115368	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+2Na"	45.978436
"1119436"	187.031268	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2Na"	45.978436
"1406240"	125.023270666667	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H+2Na"	46.985712
"1442731"	375.096846	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H+HCOOH"	47.012746
"230239"	356.10634	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+3H2O+2H"	56.04448
"1515019"	389.14889	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+IsoProp+H"	61.06479
"412880"	359.060288	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+Na+K"	61.952376
"770958"	523.102338	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+Na+K"	61.952376
"1667657"	195.018238	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Na+K"	61.952376
"257459"	720.183968	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+ACN+Na"	64.015768
"1226884"	392.099868	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+ACN+Na"	64.015768
"1717961"	392.123393	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+NH4+HCOOH"	64.039293
"1185503"	132.350584666667	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+3Na"	68.967654
"1659772"	397.078788	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Na+HCOOH"	68.994688
"166634"	733.08724	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+2K-H"	76.91904
"604008"	1061.17134	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+2K-H"	76.91904
"1091800"	405.00314	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2K-H"	76.91904
"146431"	367.047258	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"2M+2K"	77.926316
"589278"	531.089308	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"3M+2K"	77.926316
"1083396"	203.005208	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2K"	77.926316
"1113567"	407.017692	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2K+H"	78.933592
"1349951"	407.105307	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+DMSO+H"	79.021207
"1019586"	411.144476	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2ACN+H"	83.060376
"1536610"	412.138108	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+IsoProp+Na+H"	84.054008
"1003430"	206.075876	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+2ACN+2H"	84.067652
"1599749"	413.052728	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+K+HCOOH"	84.968628
"1428693"	443.084238	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+H+CF3COOH"	115.000138
"1161534"	226.589151	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+3ACN+2H"	125.094202
"1712653"	460.110785	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+NH4+CF3COOH"	132.026685
"1647464"	465.06618	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+Na+CF3COOH"	136.98208
"1582018"	481.04012	"C20235"	"(E)-2-Methylgeranyl diphosphate"	"C11H22O7P2"	"328.0841"	"M+K+CF3COOH"	152.95602
"806915"	342.1162	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M"	0
"977166"	323.09781	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"66500"	227.070190666667	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"509342"	341.108924	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"882769"	113.031457333333	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"5715"	341.108924	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"443091"	512.167024	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"820165"	170.050824	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"84168"	683.225124	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"522630"	1025.341324	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"904819"	341.108924	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"59194"	700.251671	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"498755"	1042.367871	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"869993"	358.135471	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"36801"	705.207066	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"475266"	1047.323266	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"854159"	363.090866	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1621505"	363.090866	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"98035"	359.097263	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"538693"	530.155363	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"930021"	188.039163	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"279517"	719.201802	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"666471"	1061.318002	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1276688"	377.085602	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"17054"	721.181006	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"458805"	1063.297206	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"847800"	379.064806	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1564479"	379.064806	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"953457"	387.114394	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"370580"	729.230601	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"350089"	743.246251	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1501108"	401.130051	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"962088"	409.096351	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"111720"	377.085602	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"555290"	548.143702	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1035402"	206.027502	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1255346"	421.035085	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1319379"	423.091072	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1333832"	445.073029	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"924159"	455.101786	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1299773"	491.078464	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1373558"	307.103524	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1387045"	325.1135	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"290741"	685.239676	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"680977"	1027.355876	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1354045"	343.123476	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"128027"	343.123476	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"569773"	514.181576	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1043675"	172.065376	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"205742"	229.084742666667	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"646036"	343.123476	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1171824"	115.046009333333	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"429628"	702.266223	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"792811"	1044.382423	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1692422"	360.150023	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"344710"	351.6367495	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"737501"	522.6948495	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1488036"	180.5786495	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"404528"	707.221618	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"761149"	1049.337818	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1617757"	365.105418	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"323658"	354.114447	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"713892"	525.172547	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1468805"	183.056347	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1059861"	122.373323333333	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1267010"	375.149686	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"392520"	723.195558	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"749864"	1065.311758	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1549728"	381.079358	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"305811"	362.101417	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"694950"	533.159517	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1448042"	191.043317	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"241745"	726.266226	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1219928"	384.150026	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1207829"	192.578651	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"199602"	729.20356	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"637337"	1071.31976	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1136469"	387.08736	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"179761"	365.105418	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"617134"	536.163518	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1119546"	194.047318	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1406350"	129.700637333333	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1442477"	389.128946	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"230349"	370.13844	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1515129"	403.18099	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"410441"	373.092388	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"773983"	544.150488	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1667767"	202.034288	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"257569"	748.248168	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1226630"	406.131968	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1719164"	406.155493	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1184519"	137.027951333333	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1658421"	411.110888	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"167835"	761.15144	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"609585"	1103.26764	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1094096"	419.03524	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"148727"	381.079358	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"586108"	552.137458	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1074997"	210.021258	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1104197"	421.049792	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1346781"	421.137407	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1019696"	425.176576	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1537814"	426.170208	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"1000985"	213.091926	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1598766"	427.084828	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1428803"	457.116338	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1162251"	233.605201	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1711922"	474.142885	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1647574"	479.09828	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1582128"	495.07222	"C20236"	"4-O-beta-D-Mannopyranosyl-D-glucopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"801677"	422.0825	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M"	0
"975209"	403.06411	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-H2O-H"	-19.01839
"64664"	280.381057333333	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M-3H"	-3.021828
"508356"	421.075224	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M-3H"	-3.021828
"881053"	139.686890666667	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-3H"	-3.021828
"4731"	421.075224	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H"	-2.014552
"440769"	632.116474	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H"	-2.014552
"821004"	210.033974	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-2H"	-2.014552
"83181"	843.157724	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M-H"	-1.007276
"523468"	1265.240224	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M-H"	-1.007276
"898361"	421.075224	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-H"	-1.007276
"58211"	860.184271	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+NH4"	16.019271
"497408"	1282.266771	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+NH4"	16.019271
"867917"	438.101771	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+NH4"	16.019271
"33628"	865.139666	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+Na"	20.974666
"474278"	1287.222166	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+Na"	20.974666
"853176"	443.057166	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+Na"	20.974666
"1620155"	443.057166	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Na-2H"	20.974666
"97051"	439.063563	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M-H+Cl"	33.962126
"534409"	650.104813	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M-H+Cl"	33.962126
"929037"	228.022313	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-H+Cl"	33.962126
"267839"	879.134402	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+Cl"	34.969402
"660135"	1301.216902	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+Cl"	34.969402
"1273025"	457.051902	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl"	34.969402
"15723"	881.113606	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M-2H+K"	36.948606
"457943"	1303.196106	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M-2H+K"	36.948606
"835624"	459.031106	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-2H+K"	36.948606
"1560214"	459.031106	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+K-2H"	36.948606
"954661"	467.080694	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-H+HCOOH"	44.998194
"371784"	889.163201	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+HCOOH-H"	44.998201
"355667"	903.178851	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+Hac-H"	59.013851
"1504135"	481.096351	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Hac-H"	59.013851
"962563"	489.062651	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-H+NaCOOH"	66.980151
"112926"	457.051902	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Cl"	69.938804
"555040"	668.093152	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Cl"	69.938804
"1035512"	246.010652	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2Cl"	69.938804
"1256185"	501.001385	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Br"	78.918885
"1318998"	503.057372	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+HCOOH"	80.974872
"1333213"	525.039329	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+NaCOOH"	102.956829
"923176"	535.068086	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M-H+CF3COOH"	112.985586
"1302801"	571.044764	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Cl+CF3COOH"	148.962264
"1376951"	387.069824	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H-2H2O"	-35.012676
"1395541"	405.0798	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H-H2O"	-17.0027
"295227"	845.172276	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+H"	1.007276
"683275"	1267.254776	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+H"	1.007276
"1357437"	423.089776	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H"	1.007276
"130325"	423.089776	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+2H"	2.014552
"567696"	634.131026	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+2H"	2.014552
"1039412"	212.048526	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2H"	2.014552
"205488"	282.395609333333	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H"	3.021828
"650522"	423.089776	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+3H"	3.021828
"1177403"	141.701442666667	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+3H"	3.021828
"438489"	862.198823	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+NH4"	18.033823
"799851"	1284.281323	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+NH4"	18.033823
"1694357"	440.116323	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4"	18.033823
"342998"	431.6030495	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+NH4"	19.041099
"736152"	642.6442995	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+NH4"	19.041099
"1485960"	220.5617995	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H+NH4"	19.041099
"402452"	867.154218	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na"	22.989218
"762352"	1289.236718	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na"	22.989218
"1611545"	445.071718	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Na"	22.989218
"319392"	434.080747	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+Na"	23.996494
"714001"	645.121997	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+Na"	23.996494
"1468915"	223.039497	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H+Na"	23.996494
"1058878"	149.028756666667	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2H+Na"	25.00377
"1268212"	455.115986	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+CH3OH+H"	33.033486
"391416"	883.128158	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+K"	38.963158
"749974"	1305.210658	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+K"	38.963158
"1549838"	461.045658	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+K"	38.963158
"301546"	442.067717	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+H+K"	39.970434
"696152"	653.108967	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+H+K"	39.970434
"1449244"	231.026467	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H+K"	39.970434
"242948"	886.198826	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+H"	42.033826
"1216759"	464.116326	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+H"	42.033826
"1207941"	232.561801	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+2H"	43.041102
"198983"	889.13616	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na-H"	44.97116
"635261"	1311.21866	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na-H"	44.97116
"1137672"	467.05366	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na-H"	44.97116
"183882"	445.071718	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+2Na"	45.978436
"618339"	656.112968	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+2Na"	45.978436
"1122936"	234.030468	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2Na"	45.978436
"1404274"	156.356070666667	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H+2Na"	46.985712
"1439671"	469.095246	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H+HCOOH"	47.012746
"230459"	450.10474	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+3H2O+2H"	56.04448
"1516332"	483.14729	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+H"	61.06479
"413831"	453.058688	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+Na+K"	61.952376
"778101"	664.099938	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+Na+K"	61.952376
"1669697"	242.017438	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+K"	61.952376
"253667"	908.180768	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+ACN+Na"	64.015768
"1230748"	486.098268	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+ACN+Na"	64.015768
"1717088"	486.121793	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+HCOOH"	64.039293
"1185721"	163.683384666667	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+3Na"	68.967654
"1655615"	491.077188	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+HCOOH"	68.994688
"165760"	921.08404	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K-H"	76.91904
"608599"	1343.16654	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K-H"	76.91904
"1095302"	499.00154	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2K-H"	76.91904
"144829"	461.045658	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"2M+2K"	77.926316
"586218"	672.086908	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"3M+2K"	77.926316
"1072920"	250.004408	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2K"	77.926316
"1102120"	501.016092	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2K+H"	78.933592
"1343611"	501.103707	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+DMSO+H"	79.021207
"1019807"	505.142876	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+H"	83.060376
"1537199"	506.136508	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+IsoProp+Na+H"	84.054008
"1003650"	253.075076	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+2ACN+2H"	84.067652
"1599972"	507.051128	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+K+HCOOH"	84.968628
"1426723"	537.082638	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+H+CF3COOH"	115.000138
"1162361"	273.588351	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+3ACN+2H"	125.094202
"1709846"	554.109185	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+NH4+CF3COOH"	132.026685
"1647684"	559.06458	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+Na+CF3COOH"	136.98208
"1582238"	575.03852	"C20237"	"alpha-Maltose 1-phosphate"	"C12H23O14P"	"422.0825"	"M+K+CF3COOH"	152.95602
"801987"	881.1469	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M"	0
"976293"	862.12851	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H2O-H"	-19.01839
"72189"	586.423990666667	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-3H"	-3.021828
"504215"	880.139624	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-3H"	-3.021828
"881527"	292.708357333333	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-3H"	-3.021828
"4841"	880.139624	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H"	-2.014552
"443310"	1320.713074	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H"	-2.014552
"819291"	439.566174	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H"	-2.014552
"81103"	1761.286524	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-H"	-1.007276
"521757"	2642.433424	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-H"	-1.007276
"898470"	880.139624	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H"	-1.007276
"58321"	1778.313071	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+NH4"	16.019271
"497882"	2659.459971	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+NH4"	16.019271
"868027"	897.166171	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H+NH4"	16.019271
"33737"	1783.268466	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+Na"	20.974666
"474753"	2664.415366	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+Na"	20.974666
"854379"	902.121566	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H+Na"	20.974666
"1622818"	902.121566	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na-2H"	20.974666
"96068"	898.127963	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-H+Cl"	33.962126
"536717"	1338.701413	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-H+Cl"	33.962126
"928654"	457.554513	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+Cl"	33.962126
"268801"	1797.263202	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Cl"	34.969402
"660609"	2678.410102	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+Cl"	34.969402
"1273377"	916.116302	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl"	34.969402
"15875"	1799.242406	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M-2H+K"	36.948606
"457932"	2680.389306	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M-2H+K"	36.948606
"836827"	918.095506	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-2H+K"	36.948606
"1563603"	918.095506	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K-2H"	36.948606
"953681"	926.145094	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+HCOOH"	44.998194
"374692"	1807.292001	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+HCOOH-H"	44.998201
"353590"	1821.307651	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Hac-H"	59.013851
"1501329"	940.160751	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Hac-H"	59.013851
"964496"	948.127051	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+NaCOOH"	66.980151
"120330"	916.116302	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2Cl"	69.938804
"557336"	1356.689752	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2Cl"	69.938804
"1036228"	475.542852	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2Cl"	69.938804
"1256783"	960.065785	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Br"	78.918885
"1318987"	962.121772	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+HCOOH"	80.974872
"1335594"	984.103729	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+NaCOOH"	102.956829
"926949"	994.132486	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M-H+CF3COOH"	112.985586
"1303683"	1030.109164	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Cl+CF3COOH"	148.962264
"1379248"	846.134224	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H-2H2O"	-35.012676
"1396623"	864.1442	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H-H2O"	-17.0027
"296430"	1763.301076	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H"	1.007276
"684478"	2644.447976	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H"	1.007276
"1363015"	882.154176	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H"	1.007276
"135903"	882.154176	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2H"	2.014552
"569996"	1322.727626	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2H"	2.014552
"1040982"	441.580726	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2H"	2.014552
"208152"	588.438542666667	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+3H"	3.021828
"653911"	882.154176	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+3H"	3.021828
"1175325"	294.722909333333	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+3H"	3.021828
"433130"	1780.327623	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+NH4"	18.033823
"798499"	2661.474523	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+NH4"	18.033823
"1690455"	899.180723	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+NH4"	18.033823
"340921"	890.6674495	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H+NH4"	19.041099
"728965"	1331.2408995	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H+NH4"	19.041099
"1484974"	450.0939995	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+NH4"	19.041099
"403655"	1785.283018	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Na"	22.989218
"762462"	2666.429918	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+Na"	22.989218
"1608370"	904.136118	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na"	22.989218
"318403"	893.145147	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H+Na"	23.996494
"709730"	1333.718597	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H+Na"	23.996494
"1469025"	452.571697	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+Na"	23.996494
"1057894"	302.050223333333	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2H+Na"	25.00377
"1267229"	914.180386	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+CH3OH+H"	33.033486
"392295"	1801.256958	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+K"	38.963158
"750084"	2682.403858	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+K"	38.963158
"1551041"	920.110058	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K"	38.963158
"302021"	901.132117	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+H+K"	39.970434
"697355"	1341.705567	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+H+K"	39.970434
"1448624"	460.558667	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+K"	39.970434
"240140"	1804.327626	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+H"	42.033826
"1215776"	923.180726	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+H"	42.033826
"1209145"	462.094001	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+2H"	43.041102
"198000"	1807.26496	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na-H"	44.97116
"635371"	2688.41186	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na-H"	44.97116
"1136689"	926.11806	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2Na-H"	44.97116
"185453"	904.136118	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2Na"	45.978436
"626470"	1344.709568	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2Na"	45.978436
"1123048"	463.562668	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2Na"	45.978436
"1405477"	309.377537333333	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+2Na"	46.985712
"1443063"	928.159646	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+HCOOH"	47.012746
"229475"	909.16914	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+3H2O+2H"	56.04448
"1513163"	942.21169	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+H"	61.06479
"412848"	912.123088	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+Na+K"	61.952376
"775297"	1352.696538	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+Na+K"	61.952376
"1669078"	471.549638	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na+K"	61.952376
"252927"	1826.309568	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+ACN+Na"	64.015768
"1229036"	945.162668	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+ACN+Na"	64.015768
"1717198"	945.186193	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+HCOOH"	64.039293
"1182552"	316.704851333333	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+3Na"	68.967654
"1657914"	950.141588	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na+HCOOH"	68.994688
"168055"	1839.21284	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2K-H"	76.91904
"605432"	2720.35974	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2K-H"	76.91904
"1095412"	958.06594	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2K-H"	76.91904
"146030"	920.110058	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"2M+2K"	77.926316
"583770"	1360.683508	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"3M+2K"	77.926316
"1073030"	479.536608	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2K"	77.926316
"1102230"	960.080492	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2K+H"	78.933592
"1343719"	960.168107	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+DMSO+H"	79.021207
"1019916"	964.207276	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+H"	83.060376
"1535488"	965.200908	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+IsoProp+Na+H"	84.054008
"1004124"	482.607276	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+2ACN+2H"	84.067652
"1599354"	966.115528	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K+HCOOH"	84.968628
"1425740"	996.147038	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+H+CF3COOH"	115.000138
"1161499"	503.120551	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+3ACN+2H"	125.094202
"1712146"	1013.173585	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+NH4+CF3COOH"	132.026685
"1648887"	1018.12898	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+Na+CF3COOH"	136.98208
"1582348"	1034.10292	"C20238"	"(2R)-Ethylmalonyl-CoA"	"C26H42N7O19P3S"	"881.1469"	"M+K+CF3COOH"	152.95602
"801476"	211.0705	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M"	0
"979683"	192.05211	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-H2O-H"	-19.01839
"64644"	139.706390666667	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M-3H"	-3.021828
"505297"	210.063224	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M-3H"	-3.021828
"883096"	69.3495573333333	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-3H"	-3.021828
"8231"	210.063224	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M-2H"	-2.014552
"440625"	315.598474	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M-2H"	-2.014552
"820130"	104.527974	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-2H"	-2.014552
"81213"	421.133724	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M-H"	-1.007276
"520774"	632.204224	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M-H"	-1.007276
"898580"	210.063224	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-H"	-1.007276
"58431"	438.160271	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M-2H+NH4"	16.019271
"494712"	649.230771	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M-2H+NH4"	16.019271
"869230"	227.089771	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-2H+NH4"	16.019271
"32753"	443.115666	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M-2H+Na"	20.974666
"474133"	654.186166	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M-2H+Na"	20.974666
"851207"	232.045166	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-2H+Na"	20.974666
"1621834"	232.045166	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Na-2H"	20.974666
"95570"	228.051563	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M-H+Cl"	33.962126
"535857"	333.586813	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M-H+Cl"	33.962126
"928161"	122.516313	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-H+Cl"	33.962126
"267568"	457.110402	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+Cl"	34.969402
"660117"	668.180902	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+Cl"	34.969402
"1273037"	246.039902	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Cl"	34.969402
"15958"	459.089606	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M-2H+K"	36.948606
"456218"	670.160106	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M-2H+K"	36.948606
"833899"	248.019106	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-2H+K"	36.948606
"1564806"	248.019106	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+K-2H"	36.948606
"954883"	256.068694	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-H+HCOOH"	44.998194
"375287"	467.139201	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+HCOOH-H"	44.998201
"355523"	481.154851	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+Hac-H"	59.013851
"1502169"	270.084351	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Hac-H"	59.013851
"964606"	278.050651	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-H+NaCOOH"	66.980151
"117888"	246.039902	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+2Cl"	69.938804
"559633"	351.575152	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+2Cl"	69.938804
"1029531"	140.504652	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2Cl"	69.938804
"1254215"	289.989385	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Br"	78.918885
"1319381"	292.045372	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Cl+HCOOH"	80.974872
"1335014"	314.027329	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Cl+NaCOOH"	102.956829
"925583"	324.056086	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M-H+CF3COOH"	112.985586
"1303995"	360.032764	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Cl+CF3COOH"	148.962264
"1374984"	176.057824	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H-2H2O"	-35.012676
"1398167"	194.0678	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H-H2O"	-17.0027
"294353"	423.148276	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+H"	1.007276
"684588"	634.218776	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+H"	1.007276
"1366041"	212.077776	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H"	1.007276
"138200"	212.077776	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+2H"	2.014552
"573387"	317.613026	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+2H"	2.014552
"1043279"	106.542526	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2H"	2.014552
"204979"	141.720942666667	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+3H"	3.021828
"651834"	212.077776	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+3H"	3.021828
"1168870"	71.3641093333333	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+3H"	3.021828
"433240"	440.174823	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+NH4"	18.033823
"793140"	651.245323	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+NH4"	18.033823
"1689469"	229.104323	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+NH4"	18.033823
"333373"	220.5910495	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+H+NH4"	19.041099
"726888"	326.1262995	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+H+NH4"	19.041099
"1486177"	115.0557995	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H+NH4"	19.041099
"402672"	445.130218	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+Na"	22.989218
"758196"	656.200718	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+Na"	22.989218
"1605564"	234.059718	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Na"	22.989218
"317419"	223.068747	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+H+Na"	23.996494
"708258"	328.603997	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+H+Na"	23.996494
"1465847"	117.533497	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H+Na"	23.996494
"1059097"	78.6914233333333	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2H+Na"	25.00377
"1266246"	244.103986	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+CH3OH+H"	33.033486
"387014"	461.104158	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+K"	38.963158
"748006"	672.174658	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+K"	38.963158
"1544591"	250.033658	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+K"	38.963158
"301037"	231.055717	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+H+K"	39.970434
"694187"	336.590967	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+H+K"	39.970434
"1447277"	125.520467	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H+K"	39.970434
"243165"	464.174826	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+ACN+H"	42.033826
"1213696"	253.104326	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+ACN+H"	42.033826
"1206699"	127.055801	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+ACN+2H"	43.041102
"198110"	467.11216	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+2Na-H"	44.97116
"634387"	678.18266	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+2Na-H"	44.97116
"1136798"	256.04166	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2Na-H"	44.97116
"187023"	234.059718	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+2Na"	45.978436
"626580"	339.594968	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+2Na"	45.978436
"1123158"	128.524468	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2Na"	45.978436
"1404493"	86.0187373333333	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H+2Na"	46.985712
"1441715"	258.083246	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H+HCOOH"	47.012746
"226305"	239.09274	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+3H2O+2H"	56.04448
"1513273"	272.13529	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+IsoProp+H"	61.06479
"412229"	242.046688	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+Na+K"	61.952376
"775043"	347.581938	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+Na+K"	61.952376
"1670282"	136.511438	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Na+K"	61.952376
"256437"	486.156768	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+ACN+Na"	64.015768
"1229511"	275.086268	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+ACN+Na"	64.015768
"1715847"	275.109793	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+NH4+HCOOH"	64.039293
"1182662"	93.3460513333333	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+3Na"	68.967654
"1658023"	280.065188	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Na+HCOOH"	68.994688
"168165"	499.06004	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+2K-H"	76.91904
"605539"	710.13054	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+2K-H"	76.91904
"1093332"	287.98954	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2K-H"	76.91904
"146140"	250.033658	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"2M+2K"	77.926316
"586432"	355.568908	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"3M+2K"	77.926316
"1074234"	144.498408	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2K"	77.926316
"1101976"	290.004092	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2K+H"	78.933592
"1340548"	290.091707	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+DMSO+H"	79.021207
"1019297"	294.130876	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2ACN+H"	83.060376
"1536325"	295.124508	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+IsoProp+Na+H"	84.054008
"1002047"	147.569076	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+2ACN+2H"	84.067652
"1600192"	296.039128	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+K+HCOOH"	84.968628
"1426943"	326.070638	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+H+CF3COOH"	115.000138
"1157230"	168.082351	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+3ACN+2H"	125.094202
"1712256"	343.097185	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+NH4+CF3COOH"	132.026685
"1647903"	348.05258	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+Na+CF3COOH"	136.98208
"1582458"	364.02652	"C20239"	"6-Carboxy-5678-tetrahydropterin;6-Carboxytetrahydropterin"	"C7H9N5O3"	"211.0705"	"M+K+CF3COOH"	152.95602
"802981"	128.0473	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M"	0
"976512"	109.02891	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-H2O-H"	-19.01839
"66940"	84.3575906666667	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M-3H"	-3.021828
"506500"	127.040024	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M-3H"	-3.021828
"883206"	41.6751573333333	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-3H"	-3.021828
"8341"	127.040024	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M-2H"	-2.014552
"441342"	191.063674	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M-2H"	-2.014552
"820240"	63.016374	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-2H"	-2.014552
"81323"	255.087324	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M-H"	-1.007276
"521978"	383.134624	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M-H"	-1.007276
"900876"	127.040024	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-H"	-1.007276
"49791"	272.113871	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M-2H+NH4"	16.019271
"487647"	400.161171	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M-2H+NH4"	16.019271
"868247"	144.066571	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-2H+NH4"	16.019271
"32617"	277.069266	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M-2H+Na"	20.974666
"473269"	405.116566	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M-2H+Na"	20.974666
"849856"	149.021966	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-2H+Na"	20.974666
"1619030"	149.021966	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Na-2H"	20.974666
"95192"	145.028363	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M-H+Cl"	33.962126
"535118"	209.052013	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M-H+Cl"	33.962126
"927373"	81.004713	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-H+Cl"	33.962126
"268048"	291.064002	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+Cl"	34.969402
"660423"	419.111302	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+Cl"	34.969402
"1273110"	163.016702	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Cl"	34.969402
"16153"	293.043206	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M-2H+K"	36.948606
"455930"	421.090506	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M-2H+K"	36.948606
"833888"	164.995906	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-2H+K"	36.948606
"1564916"	164.995906	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+K-2H"	36.948606
"956453"	173.045494	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-H+HCOOH"	44.998194
"377064"	301.092801	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+HCOOH-H"	44.998201
"360738"	315.108451	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+Hac-H"	59.013851
"1504102"	187.061151	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Hac-H"	59.013851
"967631"	195.027451	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-H+NaCOOH"	66.980151
"118363"	163.016702	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+2Cl"	69.938804
"559742"	227.040352	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+2Cl"	69.938804
"1034382"	98.993052	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2Cl"	69.938804
"1256273"	206.966185	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Br"	78.918885
"1318966"	209.022172	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Cl+HCOOH"	80.974872
"1335517"	231.004129	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Cl+NaCOOH"	102.956829
"926304"	241.032886	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M-H+CF3COOH"	112.985586
"1302888"	277.009564	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Cl+CF3COOH"	148.962264
"1378374"	93.034624	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H-2H2O"	-35.012676
"1397452"	111.0446	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H-H2O"	-17.0027
"295556"	257.101876	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+H"	1.007276
"684698"	385.149176	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+H"	1.007276
"1365301"	129.054576	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H"	1.007276
"139039"	129.054576	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+2H"	2.014552
"573497"	193.078226	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+2H"	2.014552
"1041202"	65.030926	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2H"	2.014552
"205090"	86.3721426666667	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+3H"	3.021828
"651944"	129.054576	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+3H"	3.021828
"1165698"	43.6897093333333	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+3H"	3.021828
"430067"	274.128423	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+NH4"	18.033823
"791062"	402.175723	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+NH4"	18.033823
"1685571"	146.081123	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+NH4"	18.033823
"332023"	137.5678495	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+H+NH4"	19.041099
"724444"	201.5914995	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+H+NH4"	19.041099
"1479721"	73.5441995	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H+NH4"	19.041099
"399499"	279.083818	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+Na"	22.989218
"755389"	407.131118	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+Na"	22.989218
"1605674"	151.036518	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Na"	22.989218
"314976"	140.045547	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+H+Na"	23.996494
"707275"	204.069197	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+H+Na"	23.996494
"1464864"	76.021897	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H+Na"	23.996494
"1053247"	51.0170233333333	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2H+Na"	25.00377
"1265262"	161.080786	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+CH3OH+H"	33.033486
"388217"	295.057758	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+K"	38.963158
"748116"	423.105058	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+K"	38.963158
"1543607"	167.010458	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+K"	38.963158
"300783"	148.032517	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+H+K"	39.970434
"693567"	212.056167	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+H+K"	39.970434
"1451394"	84.008867	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H+K"	39.970434
"242182"	298.128426	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+ACN+H"	42.033826
"1212713"	170.081126	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+ACN+H"	42.033826
"1207173"	85.544201	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+ACN+2H"	43.041102
"199313"	301.06576	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+2Na-H"	44.97116
"634497"	429.11306	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+2Na-H"	44.97116
"1135815"	173.01846	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2Na-H"	44.97116
"184214"	151.036518	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+2Na"	45.978436
"624866"	215.060168	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+2Na"	45.978436
"1123268"	87.012868	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2Na"	45.978436
"1404603"	58.3443373333333	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H+2Na"	46.985712
"1439638"	175.060046	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H+HCOOH"	47.012746
"226415"	156.06954	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+3H2O+2H"	56.04448
"1510586"	189.11209	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+IsoProp+H"	61.06479
"411975"	159.023488	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+Na+K"	61.952376
"771631"	223.047138	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+Na+K"	61.952376
"1669301"	94.999838	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Na+K"	61.952376
"256913"	320.110368	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+ACN+Na"	64.015768
"1233997"	192.063068	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+ACN+Na"	64.015768
"1719603"	192.086593	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+NH4+HCOOH"	64.039293
"1186051"	65.6716513333333	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+3Na"	68.967654
"1657041"	197.041988	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Na+HCOOH"	68.994688
"166089"	333.01364	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+2K-H"	76.91904
"604557"	461.06094	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+2K-H"	76.91904
"1090163"	204.96634	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2K-H"	76.91904
"143699"	167.010458	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"2M+2K"	77.926316
"586542"	231.034108	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"3M+2K"	77.926316
"1074344"	102.986808	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2K"	77.926316
"1103179"	206.980892	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2K+H"	78.933592
"1338471"	207.068507	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+DMSO+H"	79.021207
"1017940"	211.107676	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2ACN+H"	83.060376
"1536064"	212.101308	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+IsoProp+Na+H"	84.054008
"1002513"	106.057476	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+2ACN+2H"	84.067652
"1600667"	213.015928	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+K+HCOOH"	84.968628
"1427782"	243.047438	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+H+CF3COOH"	115.000138
"1158433"	126.570751	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+3ACN+2H"	125.094202
"1712529"	260.073985	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+NH4+CF3COOH"	132.026685
"1649106"	265.02938	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+Na+CF3COOH"	136.98208
"1582568"	281.00332	"C20240"	"(2Z4Z)-2-Hydroxyhexa-24-dienoate;(2Z4Z)-2-Hydroxyhexa-24-dienoic acid"	"C6H8O3"	"128.0473"	"M+K+CF3COOH"	152.95602
"801748"	136.1252	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M"	0
"974553"	117.10681	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"64499"	89.7428573333333	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"505517"	135.117924	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"881494"	44.3677906666667	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"5171"	135.117924	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"440597"	203.180524	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"820350"	67.055324	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"80340"	271.243124	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"520993"	407.368324	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"896732"	135.117924	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"47238"	288.269671	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"487509"	424.394871	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"868357"	152.144471	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"31446"	293.225066	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"472891"	429.350266	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"849241"	157.099866	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1619870"	157.099866	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"95669"	153.106263	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"535230"	221.168863	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"928505"	85.043663	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"267303"	307.219802	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"660143"	443.345002	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1274321"	171.094602	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"15766"	309.199006	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"461543"	445.324206	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"832985"	173.073806	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1561746"	173.073806	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"956927"	181.123394	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"376603"	317.248601	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"361213"	331.264251	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1506399"	195.139051	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"968471"	203.105351	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"119201"	171.094602	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"558759"	239.157202	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1035220"	103.032002	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1256830"	215.044085	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1319443"	217.100072	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1335317"	239.082029	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"926858"	249.110786	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1299229"	285.087464	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1379577"	101.112524	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1394887"	119.1225	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"297610"	273.257676	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"685901"	409.382876	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1365167"	137.132476	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H"	1.007276
"139149"	137.132476	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"573607"	205.195076	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1042405"	69.069876	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"205321"	91.7574093333333	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"655333"	137.132476	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1169087"	46.3823426666667	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"430177"	290.284223	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"791536"	426.409423	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1685316"	154.159023	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"331769"	145.6457495	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"725283"	213.7083495	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1479831"	77.5831495	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"397786"	295.239618	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"755862"	431.364818	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1605783"	159.114418	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"315086"	148.123447	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"708112"	216.186047	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1464974"	80.060847	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1054570"	53.7096566666667	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258808"	169.158686	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"383954"	311.213558	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"744946"	447.338758	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1542624"	175.088358	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+K"	38.963158
"300163"	156.110417	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"692216"	224.173017	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1446767"	88.047817	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"241198"	314.284226	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1209950"	178.159026	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1205826"	89.583151	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"195048"	317.22156	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"632420"	453.34676	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1132155"	181.09636	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"183230"	159.114418	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"622060"	227.177018	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1122285"	91.051818	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1403620"	61.0369706666667	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1436832"	183.137946	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"223245"	164.14744	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1508487"	197.18999	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"409896"	167.101388	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"771984"	235.163988	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1667224"	99.038788	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"259210"	336.266168	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1231919"	200.140968	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1718619"	200.164493	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1183975"	68.3642846666667	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1654963"	205.119888	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"165106"	349.16944	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"603573"	485.29464	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1088084"	213.04424	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"143078"	175.088358	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"584466"	243.150958	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1070071"	107.025758	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1102196"	215.058792	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1335663"	215.146407	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1006015"	219.185576	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1533987"	220.179208	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1001530"	110.096426	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1594939"	221.093828	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1427892"	251.125338	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1157450"	130.609701	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1712559"	268.151885	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1648123"	273.10728	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1582678"	289.08122	"C20241"	"Tricyclene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"806481"	136.1252	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M"	0
"981107"	117.10681	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"67161"	89.7428573333333	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"507814"	135.117924	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"881361"	44.3677906666667	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"5281"	135.117924	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"442657"	203.180524	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"822649"	67.055324	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"83731"	271.243124	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"523289"	407.368324	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"898905"	135.117924	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-H"	-1.007276
"48918"	288.269671	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"487625"	424.394871	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"868467"	152.144471	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"33087"	293.225066	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"473739"	429.350266	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"849352"	157.099866	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1623261"	157.099866	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"95778"	153.106263	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"536069"	221.168863	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"929588"	85.043663	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"269240"	307.219802	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"661053"	443.345002	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1274431"	171.094602	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"16499"	309.199006	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"459101"	445.324206	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"836174"	173.073806	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1561856"	173.073806	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"957407"	181.123394	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"375987"	317.248601	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"359501"	331.264251	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1505416"	195.139051	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"968581"	203.105351	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"119677"	171.094602	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"556683"	239.157202	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1035331"	103.032002	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1256655"	215.044085	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1319752"	217.100072	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1334857"	239.082029	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"926643"	249.110786	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1300069"	285.087464	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1379323"	101.112524	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1395726"	119.1225	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"297234"	273.257676	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+H"	1.007276
"682730"	409.382876	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1362360"	137.132476	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H"	1.007276
"126863"	137.132476	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"570435"	205.195076	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1039234"	69.069876	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2H"	2.014552
"205430"	91.7574093333333	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"646695"	137.132476	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1169197"	46.3823426666667	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+3H"	3.021828
"430287"	290.284223	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"794561"	426.409423	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1689799"	154.159023	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"334065"	145.6457495	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"726123"	213.7083495	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1483221"	77.5831495	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"395339"	295.239618	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"756699"	431.364818	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1605164"	159.114418	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Na"	22.989218
"314833"	148.123447	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"708104"	216.186047	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462283"	80.060847	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1055047"	53.7096566666667	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1258917"	169.158686	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"387344"	311.213558	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+K"	38.963158
"747244"	447.338758	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1546015"	175.088358	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+K"	38.963158
"299300"	156.110417	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"692085"	224.173017	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1446511"	88.047817	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"239122"	314.284226	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1209968"	178.159026	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1206665"	89.583151	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"194065"	317.22156	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"633624"	453.34676	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1136031"	181.09636	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"186256"	159.114418	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"621077"	227.177018	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1123488"	91.051818	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1401544"	61.0369706666667	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1436942"	183.137946	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"223355"	164.14744	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1508472"	197.18999	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"410005"	167.101388	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"773186"	235.163988	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1666118"	99.038788	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"257133"	336.266168	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1230936"	200.140968	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1719823"	200.164493	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1182264"	68.3642846666667	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1653980"	205.119888	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"164123"	349.16944	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"605872"	485.29464	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1086372"	213.04424	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"143190"	175.088358	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"584941"	243.150958	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1070548"	107.025758	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1102306"	215.058792	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1337224"	215.146407	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1006122"	219.185576	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1534097"	220.179208	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"1000546"	110.096426	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1592862"	221.093828	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1428002"	251.125338	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1156466"	130.609701	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1712506"	268.151885	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1648962"	273.10728	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1579508"	289.08122	"C20242"	"(-)-Sabinene;(1S5S)-1-Isopropyl-4-methylenebicyclo310hexane"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"804404"	168.1514	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M"	0
"980124"	149.13301	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-H2O-H"	-19.01839
"67271"	111.093657333333	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M-3H"	-3.021828
"507923"	167.144124	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M-3H"	-3.021828
"883536"	55.0431906666667	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-3H"	-3.021828
"7578"	167.144124	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M-2H"	-2.014552
"440943"	251.219824	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M-2H"	-2.014552
"826037"	83.068424	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-2H"	-2.014552
"80925"	335.295524	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M-H"	-1.007276
"520848"	503.446924	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M-H"	-1.007276
"901205"	167.144124	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-H"	-1.007276
"52308"	352.322071	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M-2H+NH4"	16.019271
"488950"	520.473471	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M-2H+NH4"	16.019271
"871858"	184.170671	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-2H+NH4"	16.019271
"36477"	357.277466	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M-2H+Na"	20.974666
"477130"	525.428866	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M-2H+Na"	20.974666
"851651"	189.126066	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-2H+Na"	20.974666
"1621184"	189.126066	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Na-2H"	20.974666
"96375"	185.132463	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M-H+Cl"	33.962126
"535694"	269.208163	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M-H+Cl"	33.962126
"929698"	101.056763	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-H+Cl"	33.962126
"268373"	371.272202	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+Cl"	34.969402
"661042"	539.423602	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+Cl"	34.969402
"1274541"	203.120802	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Cl"	34.969402
"15960"	373.251406	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M-2H+K"	36.948606
"462857"	541.402806	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M-2H+K"	36.948606
"842846"	205.100006	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-2H+K"	36.948606
"1561966"	205.100006	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+K-2H"	36.948606
"957513"	213.149594	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-H+HCOOH"	44.998194
"375729"	381.301001	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+HCOOH-H"	44.998201
"359974"	395.316651	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+Hac-H"	59.013851
"1507348"	227.165251	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Hac-H"	59.013851
"969785"	235.131551	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-H+NaCOOH"	66.980151
"121244"	203.120802	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+2Cl"	69.938804
"556793"	287.196502	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+2Cl"	69.938804
"1034346"	119.045102	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2Cl"	69.938804
"1256116"	247.070285	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Br"	78.918885
"1318813"	249.126272	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Cl+HCOOH"	80.974872
"1334608"	271.108229	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Cl+NaCOOH"	102.956829
"923836"	281.136986	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M-H+CF3COOH"	112.985586
"1300543"	317.113664	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Cl+CF3COOH"	148.962264
"1377611"	133.138724	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H-2H2O"	-35.012676
"1396200"	151.1487	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H-H2O"	-17.0027
"297344"	337.310076	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+H"	1.007276
"680653"	505.461476	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+H"	1.007276
"1362470"	169.158676	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H"	1.007276
"126610"	169.158676	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+2H"	2.014552
"572732"	253.234376	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+2H"	2.014552
"1040437"	85.082976	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2H"	2.014552
"204810"	113.108209333333	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+3H"	3.021828
"646805"	169.158676	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+3H"	3.021828
"1168579"	57.0577426666667	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+3H"	3.021828
"429304"	354.336623	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+NH4"	18.033823
"793578"	522.488023	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+NH4"	18.033823
"1687723"	186.185223	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+NH4"	18.033823
"333082"	177.6719495	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+H+NH4"	19.041099
"725868"	261.7476495	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+H+NH4"	19.041099
"1483331"	93.5962495	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H+NH4"	19.041099
"396543"	359.292018	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+Na"	22.989218
"755714"	527.443418	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+Na"	22.989218
"1608554"	191.140618	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Na"	22.989218
"317494"	180.149647	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+H+Na"	23.996494
"708457"	264.225347	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+H+Na"	23.996494
"1463366"	96.073947	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H+Na"	23.996494
"1056250"	64.3850566666667	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2H+Na"	25.00377
"1258663"	201.184886	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+CH3OH+H"	33.033486
"387454"	375.265958	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+K"	38.963158
"751727"	543.417358	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+K"	38.963158
"1546125"	207.114558	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+K"	38.963158
"299286"	188.136617	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+H+K"	39.970434
"693534"	272.212317	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+H+K"	39.970434
"1448082"	104.060917	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H+K"	39.970434
"237774"	378.336626	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+ACN+H"	42.033826
"1210612"	210.185226	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+ACN+H"	42.033826
"1206411"	105.596251	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+ACN+2H"	43.041102
"193082"	381.27396	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+2Na-H"	44.97116
"629967"	549.42536	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+2Na-H"	44.97116
"1133955"	213.12256	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2Na-H"	44.97116
"186366"	191.140618	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+2Na"	45.978436
"620093"	275.216318	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+2Na"	45.978436
"1123598"	107.064918	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2Na"	45.978436
"1403841"	71.7123706666667	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H+2Na"	46.985712
"1433043"	215.164146	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H+HCOOH"	47.012746
"223465"	196.17364	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+3H2O+2H"	56.04448
"1509214"	229.21619	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+IsoProp+H"	61.06479
"412301"	199.127588	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+Na+K"	61.952376
"776578"	283.203288	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+Na+K"	61.952376
"1667444"	115.051888	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Na+K"	61.952376
"255054"	400.318568	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+ACN+Na"	64.015768
"1229950"	232.167168	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+ACN+Na"	64.015768
"1717748"	232.190693	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+NH4+HCOOH"	64.039293
"1181280"	79.0396846666667	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+3Na"	68.967654
"1656277"	237.146088	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Na+HCOOH"	68.994688
"158764"	413.22184	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+2K-H"	76.91904
"602700"	581.37324	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+2K-H"	76.91904
"1089400"	245.07044	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2K-H"	76.91904
"146216"	207.114558	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"2M+2K"	77.926316
"583595"	291.190258	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"3M+2K"	77.926316
"1069929"	123.038858	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2K"	77.926316
"1103501"	247.084992	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2K+H"	78.933592
"1336002"	247.172607	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+DMSO+H"	79.021207
"1005748"	251.211776	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2ACN+H"	83.060376
"1528738"	252.205408	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+IsoProp+Na+H"	84.054008
"1001750"	126.109526	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+2ACN+2H"	84.067652
"1592972"	253.120028	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+K+HCOOH"	84.968628
"1428111"	283.151538	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+H+CF3COOH"	115.000138
"1157669"	146.622801	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+3ACN+2H"	125.094202
"1712209"	300.178085	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+NH4+CF3COOH"	132.026685
"1648343"	305.13348	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+Na+CF3COOH"	136.98208
"1579618"	321.10742	"C20243"	"2-Methylisoborneol;1277-Tetramethyl-exo-bicycloheptan-2-ol"	"C11H20O"	"168.1514"	"M+K+CF3COOH"	152.95602
"809982"	136.1252	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M"	0
"976955"	117.10681	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H2O-H"	-19.01839
"69569"	89.7428573333333	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-3H"	-3.021828
"509127"	135.117924	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-3H"	-3.021828
"886928"	44.3677906666667	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-3H"	-3.021828
"8782"	135.117924	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H"	-2.014552
"441417"	203.180524	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H"	-2.014552
"822867"	67.055324	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H"	-2.014552
"82858"	271.243124	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-H"	-1.007276
"520959"	407.368324	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-H"	-1.007276
"898039"	135.117924	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H"	-1.007276
"51325"	288.269671	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+NH4"	16.019271
"489790"	424.394871	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+NH4"	16.019271
"868687"	152.144471	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+NH4"	16.019271
"38775"	293.225066	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+Na"	20.974666
"477240"	429.350266	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+Na"	20.974666
"853948"	157.099866	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+Na"	20.974666
"1625669"	157.099866	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na-2H"	20.974666
"97824"	153.106263	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-H+Cl"	33.962126
"538478"	221.168863	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-H+Cl"	33.962126
"929808"	85.043663	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+Cl"	33.962126
"269823"	307.219802	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Cl"	34.969402
"661516"	443.345002	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Cl"	34.969402
"1275012"	171.094602	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl"	34.969402
"18299"	309.199006	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M-2H+K"	36.948606
"461871"	445.324206	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M-2H+K"	36.948606
"839674"	173.073806	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-2H+K"	36.948606
"1560983"	173.073806	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K-2H"	36.948606
"957626"	181.123394	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+HCOOH"	44.998194
"375475"	317.248601	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+HCOOH-H"	44.998201
"357900"	331.264251	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Hac-H"	59.013851
"1505638"	195.139051	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Hac-H"	59.013851
"969895"	203.105351	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+NaCOOH"	66.980151
"121718"	171.094602	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Cl"	69.938804
"554717"	239.157202	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Cl"	69.938804
"1036962"	103.032002	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Cl"	69.938804
"1256918"	215.044085	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Br"	78.918885
"1319408"	217.100072	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+HCOOH"	80.974872
"1335364"	239.082029	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+NaCOOH"	102.956829
"925772"	249.110786	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M-H+CF3COOH"	112.985586
"1302840"	285.087464	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Cl+CF3COOH"	148.962264
"1376629"	101.112524	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H-2H2O"	-35.012676
"1396310"	119.1225	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H-H2O"	-17.0027
"294902"	273.257676	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H"	1.007276
"678577"	409.382876	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H"	1.007276
"1358208"	137.132476	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H"	1.007276
"130002"	137.132476	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2H"	2.014552
"573938"	205.195076	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2H"	2.014552
"1042735"	69.069876	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2H"	2.014552
"204477"	91.7574093333333	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+3H"	3.021828
"651291"	137.132476	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+3H"	3.021828
"1167230"	46.3823426666667	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3H"	3.021828
"428321"	290.284223	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+NH4"	18.033823
"790775"	426.409423	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+NH4"	18.033823
"1685647"	154.159023	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4"	18.033823
"332099"	145.6457495	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+NH4"	19.041099
"727434"	213.7083495	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+NH4"	19.041099
"1483441"	77.5831495	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+NH4"	19.041099
"396653"	295.239618	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Na"	22.989218
"755824"	431.364818	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Na"	22.989218
"1610120"	159.114418	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na"	22.989218
"318333"	148.123447	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+Na"	23.996494
"708077"	216.186047	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+Na"	23.996494
"1462870"	80.060847	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+Na"	23.996494
"1054537"	53.7096566666667	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2H+Na"	25.00377
"1261324"	169.158686	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+CH3OH+H"	33.033486
"385376"	311.213558	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+K"	38.963158
"750743"	447.338758	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+K"	38.963158
"1552797"	175.088358	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K"	38.963158
"301588"	156.110417	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+H+K"	39.970434
"694008"	224.173017	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+H+K"	39.970434
"1448557"	88.047817	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+K"	39.970434
"241532"	314.284226	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+ACN+H"	42.033826
"1212425"	178.159026	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+H"	42.033826
"1206883"	89.583151	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+2H"	43.041102
"191006"	317.22156	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Na-H"	44.97116
"630320"	453.34676	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Na-H"	44.97116
"1138441"	181.09636	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Na-H"	44.97116
"186111"	159.114418	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2Na"	45.978436
"623485"	227.177018	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2Na"	45.978436
"1124802"	91.051818	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2Na"	45.978436
"1403950"	61.0369706666667	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+2Na"	46.985712
"1434974"	183.137946	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+HCOOH"	47.012746
"223575"	164.14744	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+3H2O+2H"	56.04448
"1511267"	197.18999	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+IsoProp+H"	61.06479
"412413"	167.101388	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+Na+K"	61.952376
"776687"	235.163988	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+Na+K"	61.952376
"1670834"	99.038788	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+K"	61.952376
"258446"	336.266168	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+ACN+Na"	64.015768
"1230427"	200.140968	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+ACN+Na"	64.015768
"1718950"	200.164493	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4+HCOOH"	64.039293
"1182483"	68.3642846666667	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3Na"	68.967654
"1653107"	205.119888	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+HCOOH"	68.994688
"162156"	349.16944	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2K-H"	76.91904
"604998"	485.29464	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2K-H"	76.91904
"1086229"	213.04424	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K-H"	76.91904
"148513"	175.088358	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"2M+2K"	77.926316
"584797"	243.150958	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"3M+2K"	77.926316
"1073687"	107.025758	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K"	77.926316
"1105802"	215.058792	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2K+H"	78.933592
"1336595"	215.146407	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+DMSO+H"	79.021207
"1005977"	219.185576	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2ACN+H"	83.060376
"1528848"	220.179208	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+IsoProp+Na+H"	84.054008
"991042"	110.096426	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+2ACN+2H"	84.067652
"1597455"	221.093828	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K+HCOOH"	84.968628
"1427129"	251.125338	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+H+CF3COOH"	115.000138
"1157779"	130.609701	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+3ACN+2H"	125.094202
"1712198"	268.151885	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+NH4+CF3COOH"	132.026685
"1648089"	273.10728	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+Na+CF3COOH"	136.98208
"1579728"	289.08122	"C20244"	"()-beta-Pinene;(1R5R)-66-Dimethyl-2-methylenebicyclo311hept-2-ene"	"C10H16"	"136.1252"	"M+K+CF3COOH"	152.95602
"815560"	687.0479	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M"	0
"983625"	668.02951	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-H2O-H"	-19.01839
"72958"	457.024657333333	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M-3H"	-3.021828
"507049"	686.040624	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M-3H"	-3.021828
"882664"	228.008690666667	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-3H"	-3.021828
"3425"	686.040624	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M-2H"	-2.014552
"440672"	1029.564574	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M-2H"	-2.014552
"819697"	342.516674	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-2H"	-2.014552
"78875"	1373.088524	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M-H"	-1.007276
"518881"	2060.136424	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M-H"	-1.007276
"902524"	686.040624	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-H"	-1.007276
"51435"	1390.115071	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M-2H+NH4"	16.019271
"489900"	2077.162971	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M-2H+NH4"	16.019271
"867704"	703.067171	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-2H+NH4"	16.019271
"37792"	1395.070466	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M-2H+Na"	20.974666
"474070"	2082.118366	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M-2H+Na"	20.974666
"850778"	708.022566	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-2H+Na"	20.974666
"1621406"	708.022566	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Na-2H"	20.974666
"95748"	704.028963	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M-H+Cl"	33.962126
"538587"	1047.552913	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M-H+Cl"	33.962126
"932105"	360.505013	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-H+Cl"	33.962126
"269933"	1409.065202	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+Cl"	34.969402
"661992"	2096.113102	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+Cl"	34.969402
"1273662"	722.017302	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Cl"	34.969402
"20597"	1411.044406	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M-2H+K"	36.948606
"461982"	2098.092306	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M-2H+K"	36.948606
"839784"	723.996506	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-2H+K"	36.948606
"1559999"	723.996506	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+K-2H"	36.948606
"958330"	732.046094	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-H+HCOOH"	44.998194
"376678"	1419.094001	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+HCOOH-H"	44.998201
"358371"	1433.109651	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+Hac-H"	59.013851
"1502098"	746.061751	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Hac-H"	59.013851
"965265"	754.028051	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-H+NaCOOH"	66.980151
"120735"	722.017302	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+2Cl"	69.938804
"554827"	1065.541252	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+2Cl"	69.938804
"1036634"	378.493352	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2Cl"	69.938804
"1256825"	765.966785	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Br"	78.918885
"1319760"	768.022772	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Cl+HCOOH"	80.974872
"1335314"	790.004729	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Cl+NaCOOH"	102.956829
"926610"	800.033486	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M-H+CF3COOH"	112.985586
"1303317"	836.010164	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Cl+CF3COOH"	148.962264
"1378926"	652.035224	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H-2H2O"	-35.012676
"1396787"	670.0452	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H-H2O"	-17.0027
"296106"	1375.103076	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+H"	1.007276
"687435"	2062.150976	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+H"	1.007276
"1358318"	688.055176	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H"	1.007276
"130111"	688.055176	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+2H"	2.014552
"576235"	1031.579126	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+2H"	2.014552
"1042117"	344.531226	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2H"	2.014552
"205274"	459.039209333333	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+3H"	3.021828
"650307"	688.055176	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+3H"	3.021828
"1165154"	230.023242666667	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+3H"	3.021828
"428795"	1392.129623	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+NH4"	18.033823
"791978"	2079.177523	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+NH4"	18.033823
"1685392"	705.081723	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+NH4"	18.033823
"332208"	696.5684495	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+H+NH4"	19.041099
"728637"	1040.0923995	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+H+NH4"	19.041099
"1484644"	353.0444995	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H+NH4"	19.041099
"397856"	1397.085018	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+Na"	22.989218
"755570"	2084.132918	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+Na"	22.989218
"1610230"	710.037118	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Na"	22.989218
"316621"	699.046147	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+H+Na"	23.996494
"707580"	1042.570097	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+H+Na"	23.996494
"1461764"	355.522197	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H+Na"	23.996494
"1052940"	237.350556666667	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2H+Na"	25.00377
"1264714"	720.081386	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+CH3OH+H"	33.033486
"384393"	1413.058958	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+K"	38.963158
"748667"	2100.106858	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+K"	38.963158
"1550721"	726.011058	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+K"	38.963158
"301334"	707.033117	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+H+K"	39.970434
"694117"	1050.557067	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+H+K"	39.970434
"1450854"	363.509167	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H+K"	39.970434
"243828"	1416.129626	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+ACN+H"	42.033826
"1211806"	729.081726	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+ACN+H"	42.033826
"1198246"	365.044501	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+ACN+2H"	43.041102
"191116"	1419.06696	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+2Na-H"	44.97116
"633953"	2106.11486	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+2Na-H"	44.97116
"1140738"	732.01906	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2Na-H"	44.97116
"178568"	710.037118	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+2Na"	45.978436
"619220"	1053.561068	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+2Na"	45.978436
"1121633"	366.513168	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2Na"	45.978436
"1407339"	244.677870666667	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H+2Na"	46.985712
"1432899"	734.060646	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H+HCOOH"	47.012746
"221863"	715.07014	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+3H2O+2H"	56.04448
"1510649"	748.11269	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+IsoProp+H"	61.06479
"412523"	718.024088	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+Na+K"	61.952376
"773516"	1061.548038	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+Na+K"	61.952376
"1669850"	374.500138	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Na+K"	61.952376
"259283"	1438.111568	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+ACN+Na"	64.015768
"1227623"	751.063668	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+ACN+Na"	64.015768
"1716872"	751.087193	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+NH4+HCOOH"	64.039293
"1181498"	252.005184666667	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+3Na"	68.967654
"1651757"	756.042588	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Na+HCOOH"	68.994688
"159350"	1451.01484	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+2K-H"	76.91904
"605108"	2138.06274	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+2K-H"	76.91904
"1085610"	763.96694	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2K-H"	76.91904
"148623"	726.011058	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"2M+2K"	77.926316
"585272"	1069.535008	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"3M+2K"	77.926316
"1073067"	382.487108	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2K"	77.926316
"1105912"	765.981492	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2K+H"	78.933592
"1339022"	766.069107	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+DMSO+H"	79.021207
"1009739"	770.108276	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2ACN+H"	83.060376
"1528958"	771.101908	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+IsoProp+Na+H"	84.054008
"991273"	385.557776	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+2ACN+2H"	84.067652
"1595379"	772.016528	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+K+HCOOH"	84.968628
"1427603"	802.048038	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+H+CF3COOH"	115.000138
"1158983"	406.071051	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+3ACN+2H"	125.094202
"1711091"	819.074585	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+NH4+CF3COOH"	132.026685
"1645281"	824.02998	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+Na+CF3COOH"	136.98208
"1583118"	840.00392	"C20245"	"UDP-N-acetyl-alpha-D-glucosamine 3-phosphate"	"C17H28N3O20P3"	"687.0479"	"M+K+CF3COOH"	152.95602
"806922"	266.9966	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M"	0
"980455"	247.97821	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-H2O-H"	-19.01839
"70881"	176.990457333333	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M-3H"	-3.021828
"507159"	265.989324	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M-3H"	-3.021828
"881681"	87.9915906666667	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-3H"	-3.021828
"1348"	265.989324	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M-2H"	-2.014552
"443092"	399.487624	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M-2H"	-2.014552
"818714"	132.491024	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-2H"	-2.014552
"78944"	532.985924	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M-H"	-1.007276
"519476"	799.982524	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M-H"	-1.007276
"901538"	265.989324	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-H"	-1.007276
"52638"	550.012471	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M-2H+NH4"	16.019271
"488916"	817.009071	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M-2H+NH4"	16.019271
"864534"	283.015871	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-2H+NH4"	16.019271
"37902"	554.967866	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M-2H+Na"	20.974666
"474180"	821.964466	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M-2H+Na"	20.974666
"851981"	287.971266	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-2H+Na"	20.974666
"1622609"	287.971266	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Na-2H"	20.974666
"96949"	283.977663	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M-H+Cl"	33.962126
"536511"	417.475963	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M-H+Cl"	33.962126
"928930"	150.479363	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-H+Cl"	33.962126
"268220"	568.962602	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+Cl"	34.969402
"661736"	835.959202	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+Cl"	34.969402
"1273001"	301.966002	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Cl"	34.969402
"18154"	570.941806	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M-2H+K"	36.948606
"461360"	837.938406	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M-2H+K"	36.948606
"838433"	303.945206	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-2H+K"	36.948606
"1565575"	303.945206	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+K-2H"	36.948606
"958486"	311.994794	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-H+HCOOH"	44.998194
"376588"	578.991401	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+HCOOH-H"	44.998201
"359212"	593.007051	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+Hac-H"	59.013851
"1500021"	326.010451	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Hac-H"	59.013851
"966468"	333.976751	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-H+NaCOOH"	66.980151
"115377"	301.966002	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+2Cl"	69.938804
"554936"	435.464302	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+2Cl"	69.938804
"1036784"	168.467702	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2Cl"	69.938804
"1256978"	345.915485	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Br"	78.918885
"1319869"	347.971472	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Cl+HCOOH"	80.974872
"1335062"	369.953429	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Cl+NaCOOH"	102.956829
"926890"	379.982186	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M-H+CF3COOH"	112.985586
"1304135"	415.958864	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Cl+CF3COOH"	148.962264
"1381587"	231.983924	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H-2H2O"	-35.012676
"1397990"	249.9939	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H-H2O"	-17.0027
"295123"	535.000476	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+H"	1.007276
"687545"	801.997076	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+H"	1.007276
"1358428"	268.003876	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H"	1.007276
"133501"	268.003876	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+2H"	2.014552
"575251"	401.502176	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+2H"	2.014552
"1041863"	134.505576	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2H"	2.014552
"205387"	179.005009333333	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+3H"	3.021828
"651510"	268.003876	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+3H"	3.021828
"1166357"	90.0061426666667	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+3H"	3.021828
"430727"	552.027023	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+NH4"	18.033823
"793910"	819.023623	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+NH4"	18.033823
"1691332"	285.030423	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+NH4"	18.033823
"336326"	276.5171495	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+H+NH4"	19.041099
"727654"	410.0154495	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+H+NH4"	19.041099
"1484754"	143.0188495	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H+NH4"	19.041099
"395779"	556.982418	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+Na"	22.989218
"755680"	823.979018	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+Na"	22.989218
"1610340"	289.985818	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Na"	22.989218
"316731"	278.994847	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+H+Na"	23.996494
"707814"	412.493147	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+H+Na"	23.996494
"1462967"	145.496547	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H+Na"	23.996494
"1054025"	97.3334566666667	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2H+Na"	25.00377
"1263730"	300.030086	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+CH3OH+H"	33.033486
"378292"	572.956358	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+K"	38.963158
"744398"	839.952958	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+K"	38.963158
"1543167"	305.959758	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+K"	38.963158
"305818"	286.981817	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+H+K"	39.970434
"692524"	420.480117	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+H+K"	39.970434
"1449869"	153.483517	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H+K"	39.970434
"239564"	576.027026	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+ACN+H"	42.033826
"1216653"	309.030426	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+ACN+H"	42.033826
"1202728"	155.018851	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+ACN+2H"	43.041102
"197784"	578.96436	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+2Na-H"	44.97116
"637342"	845.96096	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+2Na-H"	44.97116
"1143034"	311.96776	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2Na-H"	44.97116
"183051"	289.985818	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+2Na"	45.978436
"620787"	423.484118	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+2Na"	45.978436
"1123928"	156.487518	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2Na"	45.978436
"1409634"	104.660770666667	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H+2Na"	46.985712
"1435195"	314.009346	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H+HCOOH"	47.012746
"228166"	295.01884	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+3H2O+2H"	56.04448
"1510030"	328.06139	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+IsoProp+H"	61.06479
"412633"	297.972788	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+Na+K"	61.952376
"772533"	431.471088	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+Na+K"	61.952376
"1671052"	164.474488	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Na+K"	61.952376
"257570"	598.008968	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+ACN+Na"	64.015768
"1228826"	331.012368	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+ACN+Na"	64.015768
"1718804"	331.035893	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+NH4+HCOOH"	64.039293
"1182701"	111.988084666667	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+3Na"	68.967654
"1652232"	335.991288	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Na+HCOOH"	68.994688
"160553"	610.91224	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+2K-H"	76.91904
"605218"	877.90884	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+2K-H"	76.91904
"1086079"	343.91564	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2K-H"	76.91904
"145453"	305.959758	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"2M+2K"	77.926316
"586110"	439.458058	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"3M+2K"	77.926316
"1073177"	172.461458	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2K"	77.926316
"1104563"	345.930192	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2K+H"	78.933592
"1342413"	346.017807	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+DMSO+H"	79.021207
"1013129"	350.056976	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2ACN+H"	83.060376
"1525909"	351.050608	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+IsoProp+Na+H"	84.054008
"991262"	175.532126	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+2ACN+2H"	84.067652
"1595489"	351.965228	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+K+HCOOH"	84.968628
"1427713"	381.996738	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+H+CF3COOH"	115.000138
"1160186"	196.045401	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+3ACN+2H"	125.094202
"1711930"	399.023285	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+NH4+CF3COOH"	132.026685
"1644298"	403.97868	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+Na+CF3COOH"	136.98208
"1583228"	419.95262	"C20246"	"2-(2R5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylideneethyl phosphate"	"C7H10NO6PS"	"266.9966"	"M+K+CF3COOH"	152.95602
"807032"	266.9966	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M"	0
"980565"	247.97821	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-H2O-H"	-19.01839
"73179"	176.990457333333	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M-3H"	-3.021828
"511645"	265.989324	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M-3H"	-3.021828
"886166"	87.9915906666667	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-3H"	-3.021828
"4741"	265.989324	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M-2H"	-2.014552
"441381"	399.487624	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M-2H"	-2.014552
"818824"	132.491024	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-2H"	-2.014552
"79908"	532.985924	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M-H"	-1.007276
"521654"	799.982524	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M-H"	-1.007276
"895933"	265.989324	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-H"	-1.007276
"47636"	550.012471	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M-2H+NH4"	16.019271
"490114"	817.009071	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M-2H+NH4"	16.019271
"865249"	283.015871	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-2H+NH4"	16.019271
"34732"	554.967866	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M-2H+Na"	20.974666
"471490"	821.964466	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M-2H+Na"	20.974666
"850268"	287.971266	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-2H+Na"	20.974666
"1618747"	287.971266	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Na-2H"	20.974666
"94506"	283.977663	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M-H+Cl"	33.962126
"534836"	417.475963	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M-H+Cl"	33.962126
"927210"	150.479363	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-H+Cl"	33.962126
"267640"	568.962602	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+Cl"	34.969402
"660264"	835.959202	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+Cl"	34.969402
"1272862"	301.966002	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Cl"	34.969402
"16926"	570.941806	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M-2H+K"	36.948606
"461470"	837.938406	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M-2H+K"	36.948606
"835628"	303.945206	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-2H+K"	36.948606
"1559115"	303.945206	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+K-2H"	36.948606
"957591"	311.994794	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-H+HCOOH"	44.998194
"375803"	578.991401	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+HCOOH-H"	44.998201
"358955"	593.007051	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+Hac-H"	59.013851
"1500131"	326.010451	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Hac-H"	59.013851
"963296"	333.976751	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-H+NaCOOH"	66.980151
"113299"	301.966002	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+2Cl"	69.938804
"553953"	435.464302	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+2Cl"	69.938804
"1033326"	168.467702	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2Cl"	69.938804
"1256679"	345.915485	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Br"	78.918885
"1319370"	347.971472	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Cl+HCOOH"	80.974872
"1335333"	369.953429	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Cl+NaCOOH"	102.956829
"926589"	379.982186	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M-H+CF3COOH"	112.985586
"1302078"	415.958864	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Cl+CF3COOH"	148.962264
"1379144"	231.983924	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H-2H2O"	-35.012676
"1393359"	249.9939	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H-H2O"	-17.0027
"293046"	535.000476	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+H"	1.007276
"681093"	801.997076	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+H"	1.007276
"1356350"	268.003876	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H"	1.007276
"131425"	268.003876	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+2H"	2.014552
"569891"	401.502176	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+2H"	2.014552
"1038689"	134.505576	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2H"	2.014552
"205612"	179.005009333333	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+3H"	3.021828
"644687"	268.003876	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+3H"	3.021828
"1165374"	90.0061426666667	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+3H"	3.021828
"430837"	552.027023	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+NH4"	18.033823
"790735"	819.023623	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+NH4"	18.033823
"1687067"	285.030423	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+NH4"	18.033823
"335344"	276.5171495	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+H+NH4"	19.041099
"726671"	410.0154495	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+H+NH4"	19.041099
"1477246"	143.0188495	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H+NH4"	19.041099
"395889"	556.982418	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+Na"	22.989218
"756154"	823.979018	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+Na"	22.989218
"1609357"	289.985818	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Na"	22.989218
"315747"	278.994847	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+H+Na"	23.996494
"707557"	412.493147	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+H+Na"	23.996494
"1462955"	145.496547	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H+Na"	23.996494
"1053891"	97.3334566666667	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2H+Na"	25.00377
"1263840"	300.030086	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+CH3OH+H"	33.033486
"378159"	572.956358	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+K"	38.963158
"743415"	839.952958	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+K"	38.963158
"1543276"	305.959758	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+K"	38.963158
"305928"	286.981817	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+H+K"	39.970434
"692027"	420.480117	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+H+K"	39.970434
"1447791"	153.483517	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H+K"	39.970434
"240767"	576.027026	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+ACN+H"	42.033826
"1215670"	309.030426	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+ACN+H"	42.033826
"1201744"	155.018851	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+ACN+2H"	43.041102
"195706"	578.96436	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+2Na-H"	44.97116
"637451"	845.96096	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+2Na-H"	44.97116
"1141686"	311.96776	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2Na-H"	44.97116
"179880"	289.985818	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+2Na"	45.978436
"620532"	423.484118	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+2Na"	45.978436
"1126222"	156.487518	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2Na"	45.978436
"1405369"	104.660770666667	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H+2Na"	46.985712
"1436395"	314.009346	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H+HCOOH"	47.012746
"227181"	295.01884	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+3H2O+2H"	56.04448
"1510869"	328.06139	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+IsoProp+H"	61.06479
"410915"	297.972788	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+Na+K"	61.952376
"772275"	431.471088	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+Na+K"	61.952376
"1668973"	164.474488	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Na+K"	61.952376
"259868"	598.008968	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+ACN+Na"	64.015768
"1228202"	331.012368	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+ACN+Na"	64.015768
"1717820"	331.035893	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+NH4+HCOOH"	64.039293
"1184996"	111.988084666667	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+3Na"	68.967654
"1653437"	335.991288	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Na+HCOOH"	68.994688
"159930"	610.91224	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+2K-H"	76.91904
"598765"	877.90884	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+2K-H"	76.91904
"1087647"	343.91564	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2K-H"	76.91904
"143740"	305.959758	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"2M+2K"	77.926316
"584032"	439.458058	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"3M+2K"	77.926316
"1071826"	172.461458	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2K"	77.926316
"1103945"	345.930192	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2K+H"	78.933592
"1339242"	346.017807	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+DMSO+H"	79.021207
"1007890"	350.056976	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2ACN+H"	83.060376
"1529178"	351.050608	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+IsoProp+Na+H"	84.054008
"992344"	175.532126	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+2ACN+2H"	84.067652
"1587938"	351.965228	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+K+HCOOH"	84.968628
"1427823"	381.996738	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+H+CF3COOH"	115.000138
"1160296"	196.045401	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+3ACN+2H"	125.094202
"1708755"	399.023285	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+NH4+CF3COOH"	132.026685
"1645501"	403.97868	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+Na+CF3COOH"	136.98208
"1583338"	419.95262	"C20247"	"2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate;4-Methyl-5-2-(phosphonooxy)ethyl-13-thiazole-2-carboxylate;cThz-P"	"C7H10NO6PS"	"266.9966"	"M+K+CF3COOH"	152.95602
"813704"	194.044	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M"	0
"983955"	175.02561	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-H2O-H"	-19.01839
"73289"	128.355390666667	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M-3H"	-3.021828
"511755"	193.036724	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M-3H"	-3.021828
"886276"	63.6740573333333	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-3H"	-3.021828
"4851"	193.036724	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M-2H"	-2.014552
"441004"	290.058724	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M-2H"	-2.014552
"822214"	96.014724	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-2H"	-2.014552
"80014"	387.080724	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M-H"	-1.007276
"521033"	581.124724	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M-H"	-1.007276
"897375"	193.036724	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-H"	-1.007276
"49572"	404.107271	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M-2H+NH4"	16.019271
"488281"	598.151271	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M-2H+NH4"	16.019271
"865847"	210.063271	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-2H+NH4"	16.019271
"33750"	409.062666	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M-2H+Na"	20.974666
"473309"	603.106666	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M-2H+Na"	20.974666
"849324"	215.018666	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-2H+Na"	20.974666
"1620642"	215.018666	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Na-2H"	20.974666
"94861"	211.025063	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M-H+Cl"	33.962126
"537824"	308.047063	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M-H+Cl"	33.962126
"927808"	114.003063	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-H+Cl"	33.962126
"270265"	423.057402	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+Cl"	34.969402
"667061"	617.101402	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+Cl"	34.969402
"1280923"	229.013402	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Cl"	34.969402
"20927"	425.036606	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M-2H+K"	36.948606
"459758"	619.080606	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M-2H+K"	36.948606
"839019"	230.992606	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-2H+K"	36.948606
"1563237"	230.992606	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+K-2H"	36.948606
"958266"	239.042194	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-H+HCOOH"	44.998194
"366434"	433.086201	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+HCOOH-H"	44.998201
"360158"	447.101851	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+Hac-H"	59.013851
"1502428"	253.057851	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Hac-H"	59.013851
"962313"	261.024151	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-H+NaCOOH"	66.980151
"115595"	229.013402	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+2Cl"	69.938804
"557342"	326.035402	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+2Cl"	69.938804
"1034893"	131.991402	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2Cl"	69.938804
"1256789"	272.962885	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Br"	78.918885
"1315837"	275.018872	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Cl+HCOOH"	80.974872
"1334790"	297.000829	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Cl+NaCOOH"	102.956829
"925482"	307.029586	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M-H+CF3COOH"	112.985586
"1302554"	343.006264	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Cl+CF3COOH"	148.962264
"1381441"	159.031324	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H-2H2O"	-35.012676
"1393469"	177.0413	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H-H2O"	-17.0027
"293155"	389.095276	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+H"	1.007276
"681201"	583.139276	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+H"	1.007276
"1359740"	195.051276	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H"	1.007276
"133722"	195.051276	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+2H"	2.014552
"570000"	292.073276	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+2H"	2.014552
"1039161"	98.029276	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2H"	2.014552
"207060"	130.369942666667	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+3H"	3.021828
"645529"	195.051276	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+3H"	3.021828
"1168035"	65.6886093333333	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+3H"	3.021828
"432040"	406.121823	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+NH4"	18.033823
"790116"	600.165823	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+NH4"	18.033823
"1685354"	212.077823	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+NH4"	18.033823
"336547"	203.5645495	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+H+NH4"	19.041099
"727873"	300.5865495	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+H+NH4"	19.041099
"1477802"	106.5425495	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H+NH4"	19.041099
"395999"	411.077218	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+Na"	22.989218
"756628"	605.121218	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+Na"	22.989218
"1609467"	217.033218	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Na"	22.989218
"315493"	206.042247	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+H+Na"	23.996494
"707788"	303.064247	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+H+Na"	23.996494
"1463064"	109.020247	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H+Na"	23.996494
"1054003"	73.0159233333333	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2H+Na"	25.00377
"1259210"	227.077486	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+CH3OH+H"	33.033486
"378877"	427.051158	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+K"	38.963158
"741695"	621.095158	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+K"	38.963158
"1543020"	233.007158	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+K"	38.963158
"301297"	214.029217	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+H+K"	39.970434
"692377"	311.051217	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+H+K"	39.970434
"1448266"	117.007217	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H+K"	39.970434
"240877"	430.121826	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+ACN+H"	42.033826
"1217966"	236.077826	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+ACN+H"	42.033826
"1200761"	118.542551	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+ACN+2H"	43.041102
"196909"	433.05916	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+2Na-H"	44.97116
"637562"	627.10316	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+2Na-H"	44.97116
"1143256"	239.01516	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2Na-H"	44.97116
"181083"	217.033218	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+2Na"	45.978436
"620642"	314.055218	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+2Na"	45.978436
"1125239"	120.011218	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2Na"	45.978436
"1408759"	80.3432373333333	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H+2Na"	46.985712
"1436869"	241.056746	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H+HCOOH"	47.012746
"226198"	222.06624	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+3H2O+2H"	56.04448
"1512073"	255.10879	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+IsoProp+H"	61.06479
"411758"	225.020188	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+Na+K"	61.952376
"772753"	322.042188	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+Na+K"	61.952376
"1670177"	127.998188	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Na+K"	61.952376
"259978"	452.103768	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+ACN+Na"	64.015768
"1227952"	258.059768	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+ACN+Na"	64.015768
"1717205"	258.083293	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+NH4+HCOOH"	64.039293
"1182191"	87.6705513333333	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+3Na"	68.967654
"1653179"	263.038688	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Na+HCOOH"	68.994688
"160040"	465.00704	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+2K-H"	76.91904
"598875"	659.05104	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+2K-H"	76.91904
"1086301"	270.96304	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2K-H"	76.91904
"145673"	233.007158	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"2M+2K"	77.926316
"586330"	330.029158	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"3M+2K"	77.926316
"1075219"	135.985158	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2K"	77.926316
"1108428"	272.977592	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2K+H"	78.933592
"1338258"	273.065207	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+DMSO+H"	79.021207
"1007999"	277.104376	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2ACN+H"	83.060376
"1526001"	278.098008	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+IsoProp+Na+H"	84.054008
"995733"	139.055826	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+2ACN+2H"	84.067652
"1590234"	279.012628	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+K+HCOOH"	84.968628
"1426476"	309.044138	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+H+CF3COOH"	115.000138
"1159313"	159.569101	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+3ACN+2H"	125.094202
"1707772"	326.070685	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+NH4+CF3COOH"	132.026685
"1644518"	331.02608	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+Na+CF3COOH"	136.98208
"1583448"	347.00002	"C20248"	"7-Carboxy-7-carbaguanine;7-Carboxy-7-deazaguanine"	"C7H6N4O3"	"194.044"	"M+K+CF3COOH"	152.95602
"807252"	103.0269	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M"	0
"977868"	84.00851	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-H2O-H"	-19.01839
"71213"	67.677324	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M-3H"	-3.021828
"512959"	102.019624	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M-3H"	-3.021828
"885293"	33.335024	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-3H"	-3.021828
"7147"	102.019624	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M-2H"	-2.014552
"442694"	153.533074	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M-2H"	-2.014552
"821231"	50.506174	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-2H"	-2.014552
"79395"	205.046524	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M-H"	-1.007276
"522236"	308.073424	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M-H"	-1.007276
"896759"	102.019624	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-H"	-1.007276
"55154"	222.073071	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M-2H+NH4"	16.019271
"490337"	325.099971	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M-2H+NH4"	16.019271
"867050"	119.046171	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-2H+NH4"	16.019271
"33860"	227.028466	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M-2H+Na"	20.974666
"472809"	330.055366	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M-2H+Na"	20.974666
"849103"	124.001566	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-2H+Na"	20.974666
"1619534"	124.001566	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Na-2H"	20.974666
"95579"	120.007963	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M-H+Cl"	33.962126
"534529"	171.521413	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M-H+Cl"	33.962126
"927432"	68.494513	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-H+Cl"	33.962126
"275843"	241.023202	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+Cl"	34.969402
"660970"	344.050102	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+Cl"	34.969402
"1273040"	137.996302	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Cl"	34.969402
"16087"	243.002406	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M-2H+K"	36.948606
"457680"	346.029306	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M-2H+K"	36.948606
"841681"	139.975506	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-2H+K"	36.948606
"1562983"	139.975506	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+K-2H"	36.948606
"956958"	148.025094	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-H+HCOOH"	44.998194
"369824"	251.052001	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+HCOOH-H"	44.998201
"356988"	265.067651	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+Hac-H"	59.013851
"1498164"	162.040751	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Hac-H"	59.013851
"960236"	170.007051	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-H+NaCOOH"	66.980151
"115706"	137.996302	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+2Cl"	69.938804
"554173"	189.509752	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+2Cl"	69.938804
"1028442"	86.482852	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2Cl"	69.938804
"1255925"	181.945785	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Br"	78.918885
"1314854"	184.001772	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Cl+HCOOH"	80.974872
"1331256"	205.983729	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Cl+NaCOOH"	102.956829
"924867"	216.012486	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M-H+CF3COOH"	112.985586
"1301203"	251.989164	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Cl+CF3COOH"	148.962264
"1378270"	68.014224	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H-2H2O"	-35.012676
"1393579"	86.0242	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H-H2O"	-17.0027
"291078"	207.061076	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+H"	1.007276
"682404"	310.087976	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+H"	1.007276
"1358757"	104.034176	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H"	1.007276
"134924"	104.034176	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+2H"	2.014552
"571203"	155.547626	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+2H"	2.014552
"1037933"	52.520726	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2H"	2.014552
"204859"	69.691876	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+3H"	3.021828
"644911"	104.034176	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+3H"	3.021828
"1168145"	35.349576	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+3H"	3.021828
"429964"	224.087623	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+NH4"	18.033823
"792412"	327.114523	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+NH4"	18.033823
"1685461"	121.060723	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+NH4"	18.033823
"337750"	112.5474495	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+H+NH4"	19.041099
"723482"	164.0608995	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+H+NH4"	19.041099
"1480344"	61.0339995	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H+NH4"	19.041099
"396473"	229.043018	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+Na"	22.989218
"754667"	332.069918	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+Na"	22.989218
"1609577"	126.016118	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Na"	22.989218
"316331"	115.025147	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+H+Na"	23.996494
"708263"	166.538597	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+H+Na"	23.996494
"1462810"	63.511697	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H+Na"	23.996494
"1053748"	42.67689	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2H+Na"	25.00377
"1259320"	136.060386	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+CH3OH+H"	33.033486
"379351"	245.016958	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+K"	38.963158
"741441"	348.043858	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+K"	38.963158
"1542401"	141.990058	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+K"	38.963158
"302868"	123.012117	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+H+K"	39.970434
"693100"	174.525567	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+H+K"	39.970434
"1449106"	71.498667	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H+K"	39.970434
"238801"	248.087626	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+ACN+H"	42.033826
"1219169"	145.060726	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+ACN+H"	42.033826
"1199778"	73.034001	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+ACN+2H"	43.041102
"197019"	251.02496	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+2Na-H"	44.97116
"637675"	354.05186	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+2Na-H"	44.97116
"1144462"	147.99806	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2Na-H"	44.97116
"180101"	126.016118	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+2Na"	45.978436
"618203"	177.529568	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+2Na"	45.978436
"1120978"	74.502668	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2Na"	45.978436
"1407780"	50.004204	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H+2Na"	46.985712
"1436615"	150.039646	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H+HCOOH"	47.012746
"227402"	131.04914	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+3H2O+2H"	56.04448
"1513277"	164.09169	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+IsoProp+H"	61.06479
"410045"	134.003088	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+Na+K"	61.952376
"775050"	185.516538	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+Na+K"	61.952376
"1671380"	82.489638	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Na+K"	61.952376
"257901"	270.069568	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+ACN+Na"	64.015768
"1227698"	167.042668	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+ACN+Na"	64.015768
"1718407"	167.066193	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+NH4+HCOOH"	64.039293
"1181209"	57.331518	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+3Na"	68.967654
"1655842"	172.021588	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Na+HCOOH"	68.994688
"159787"	282.97284	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+2K-H"	76.91904
"601173"	385.99974	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+2K-H"	76.91904
"1086046"	179.94594	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2K-H"	76.91904
"146876"	141.990058	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"2M+2K"	77.926316
"584254"	193.503508	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"3M+2K"	77.926316
"1080797"	90.476608	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2K"	77.926316
"1108538"	181.960492	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2K+H"	78.933592
"1339464"	182.048107	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+DMSO+H"	79.021207
"1010177"	186.087276	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2ACN+H"	83.060376
"1528300"	187.080908	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+IsoProp+Na+H"	84.054008
"992560"	93.547276	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+2ACN+2H"	84.067652
"1592533"	187.995528	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+K+HCOOH"	84.968628
"1427679"	218.027038	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+H+CF3COOH"	115.000138
"1160516"	114.060551	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+3ACN+2H"	125.094202
"1706789"	235.053585	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+NH4+CF3COOH"	132.026685
"1643535"	240.00898	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+Na+CF3COOH"	136.98208
"1583558"	255.98292	"C20249"	"(Z)-3-Peroxyaminoacrylate"	"C3H5NO3"	"103.0269"	"M+K+CF3COOH"	152.95602
"813925"	117.0426	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M"	0
"980896"	98.02421	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-H2O-H"	-19.01839
"73511"	77.021124	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M-3H"	-3.021828
"509790"	116.035324	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M-3H"	-3.021828
"887591"	38.006924	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-3H"	-3.021828
"6166"	116.035324	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M-2H"	-2.014552
"446819"	174.556624	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M-2H"	-2.014552
"821344"	57.514024	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-2H"	-2.014552
"82429"	233.077924	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M-H"	-1.007276
"520896"	350.120524	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M-H"	-1.007276
"900887"	116.035324	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-H"	-1.007276
"48702"	250.104471	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M-2H+NH4"	16.019271
"501393"	367.147071	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M-2H+NH4"	16.019271
"875912"	133.061871	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-2H+NH4"	16.019271
"40532"	255.059866	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M-2H+Na"	20.974666
"481186"	372.102466	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M-2H+Na"	20.974666
"853519"	138.017266	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-2H+Na"	20.974666
"1624145"	138.017266	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Na-2H"	20.974666
"94715"	134.023663	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M-H+Cl"	33.962126
"541330"	192.544963	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M-H+Cl"	33.962126
"931562"	75.502363	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-H+Cl"	33.962126
"276682"	269.054602	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+Cl"	34.969402
"670198"	386.097202	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+Cl"	34.969402
"1281507"	152.012002	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Cl"	34.969402
"24065"	271.033806	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M-2H+K"	36.948606
"461439"	388.076406	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M-2H+K"	36.948606
"837055"	153.991206	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-2H+K"	36.948606
"1562731"	153.991206	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+K-2H"	36.948606
"957190"	162.040794	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-H+HCOOH"	44.998194
"367747"	279.083401	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+HCOOH-H"	44.998201
"353816"	293.099051	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+Hac-H"	59.013851
"1496087"	176.056451	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Hac-H"	59.013851
"964722"	184.022751	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-H+NaCOOH"	66.980151
"113628"	152.012002	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+2Cl"	69.938804
"556473"	210.533302	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+2Cl"	69.938804
"1029645"	93.490702	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2Cl"	69.938804
"1251421"	195.961485	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Br"	78.918885
"1313869"	198.017472	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Cl+HCOOH"	80.974872
"1329178"	219.999429	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Cl+NaCOOH"	102.956829
"923515"	230.028186	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M-H+CF3COOH"	112.985586
"1301316"	266.004864	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Cl+CF3COOH"	148.962264
"1375103"	82.029924	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H-2H2O"	-35.012676
"1392597"	100.0399	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H-H2O"	-17.0027
"290095"	235.092476	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+H"	1.007276
"679235"	352.135076	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+H"	1.007276
"1362150"	118.049876	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H"	1.007276
"133946"	118.049876	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+2H"	2.014552
"571317"	176.571176	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+2H"	2.014552
"1045585"	59.528576	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2H"	2.014552
"211300"	79.035676	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+3H"	3.021828
"651223"	118.049876	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+3H"	3.021828
"1176651"	40.021476	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+3H"	3.021828
"436642"	252.119023	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+NH4"	18.033823
"796542"	369.161623	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+NH4"	18.033823
"1692506"	135.076423	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+NH4"	18.033823
"340786"	126.5631495	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+H+NH4"	19.041099
"733205"	185.0844495	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+H+NH4"	19.041099
"1483012"	68.0418495	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H+NH4"	19.041099
"401689"	257.074418	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+Na"	22.989218
"763783"	374.117018	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+Na"	22.989218
"1609692"	140.031818	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Na"	22.989218
"323006"	129.040847	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+H+Na"	23.996494
"711417"	187.562147	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+H+Na"	23.996494
"1469247"	70.519547	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H+Na"	23.996494
"1060307"	47.34879	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2H+Na"	25.00377
"1263079"	150.076086	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+CH3OH+H"	33.033486
"381657"	273.048358	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+K"	38.963158
"740465"	390.090958	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+K"	38.963158
"1546896"	156.005758	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+K"	38.963158
"300788"	137.027817	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+H+K"	39.970434
"696490"	195.549117	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+H+K"	39.970434
"1448125"	78.506517	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H+K"	39.970434
"237817"	276.119026	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+ACN+H"	42.033826
"1219279"	159.076426	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+ACN+H"	42.033826
"1200981"	80.041851	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+ACN+2H"	43.041102
"203582"	279.05636	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+2Na-H"	44.97116
"643138"	396.09896	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+2Na-H"	44.97116
"1144576"	162.01376	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2Na-H"	44.97116
"179120"	140.031818	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+2Na"	45.978436
"619771"	198.553118	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+2Na"	45.978436
"1121452"	81.510518	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2Na"	45.978436
"1404247"	54.676104	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H+2Na"	46.985712
"1434906"	164.055346	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H+HCOOH"	47.012746
"229702"	145.06484	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+3H2O+2H"	56.04448
"1514486"	178.10739	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+IsoProp+H"	61.06479
"416357"	148.018788	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+Na+K"	61.952376
"772980"	206.540088	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+Na+K"	61.952376
"1670405"	89.497488	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Na+K"	61.952376
"256926"	298.100968	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+ACN+Na"	64.015768
"1230728"	181.058368	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+ACN+Na"	64.015768
"1716334"	181.081893	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+NH4+HCOOH"	64.039293
"1181688"	62.003418	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+3Na"	68.967654
"1653770"	186.037288	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Na+HCOOH"	68.994688
"159538"	311.00424	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+2K-H"	76.91904
"600191"	428.04684	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+2K-H"	76.91904
"1091266"	193.96164	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2K-H"	76.91904
"150269"	156.005758	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"2M+2K"	77.926316
"589837"	214.527058	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"3M+2K"	77.926316
"1075440"	97.484458	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2K"	77.926316
"1105367"	195.976192	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2K+H"	78.933592
"1341754"	196.063807	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+DMSO+H"	79.021207
"1009199"	200.102976	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2ACN+H"	83.060376
"1530604"	201.096608	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+IsoProp+Na+H"	84.054008
"999239"	100.555126	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+2ACN+2H"	84.067652
"1594835"	202.011228	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+K+HCOOH"	84.968628
"1422683"	232.042738	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+H+CF3COOH"	115.000138
"1158440"	121.068401	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+3ACN+2H"	125.094202
"1705806"	249.069285	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+NH4+CF3COOH"	132.026685
"1644738"	254.02468	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+Na+CF3COOH"	136.98208
"1583668"	269.99862	"C20250"	"(Z)-2-Methylperoxyaminoacrylate"	"C4H7NO3"	"117.0426"	"M+K+CF3COOH"	152.95602
"810752"	178.0477	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M"	0
"981004"	159.02931	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"72528"	117.691190666667	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"513181"	177.040424	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"887702"	58.3419573333333	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"2994"	177.040424	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"440401"	266.064274	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"817353"	88.016574	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"79371"	355.088124	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"519169"	533.135824	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"895797"	177.040424	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"55374"	372.114671	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"489464"	550.162371	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"867270"	194.066971	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"31885"	377.070066	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"473639"	555.117766	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"850346"	199.022366	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1619878"	199.022366	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"94369"	195.028763	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"534330"	284.052613	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"927158"	106.004913	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"275699"	391.064802	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"664110"	569.112502	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1272782"	213.017102	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"16638"	393.044006	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"468840"	571.091706	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"838259"	214.996306	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1565027"	214.996306	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"956571"	223.045894	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"366764"	401.093601	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"352833"	415.109251	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1495104"	237.061551	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"963739"	245.027851	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"113738"	213.017102	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"556583"	302.040952	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1029755"	123.993252	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1251531"	256.966585	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1313979"	259.022572	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1329287"	281.004529	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"921439"	291.033286	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1300333"	327.009964	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1375213"	143.035024	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1391614"	161.045	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"290205"	357.102676	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"679345"	535.150376	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1358977"	179.054976	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"132960"	179.054976	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"572520"	268.078826	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1045695"	90.031126	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"210681"	119.705742666667	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"650969"	179.054976	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1171293"	60.3565093333333	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"433473"	374.129223	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"796652"	552.176923	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1687514"	196.081523	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"335792"	187.5682495	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"729667"	276.5920995	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1484212"	98.5443995	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"398153"	379.084618	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"760612"	557.132318	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1608708"	201.036918	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"319838"	190.045947	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"714444"	279.069797	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1466077"	101.022097	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1056406"	67.6838233333333	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1259177"	211.081186	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"379580"	395.058558	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"740941"	573.106258	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1543726"	217.010858	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"299806"	198.032917	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"691466"	287.056767	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1447142"	109.009067	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"235774"	398.129226	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1218296"	220.081526	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1206559"	110.544401	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"197243"	401.06656	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"644121"	579.11426	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1146801"	223.01886	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"178136"	201.036918	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"620975"	290.060768	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1122292"	112.013068	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1405817"	75.0111373333333	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1434652"	225.060446	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"228718"	206.06994	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1514597"	239.11249	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"416468"	209.023888	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"771997"	298.047738	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1668329"	120.000038	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"253389"	420.111168	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1230838"	242.063468	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1714621"	242.086993	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1181798"	82.3384513333333	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1650963"	247.042388	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"160011"	433.01444	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"599571"	611.06214	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1086273"	254.96674	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"144912"	217.010858	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"591038"	306.034708	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1074457"	127.987008	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1103292"	256.981292	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1338584"	257.068907	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1012589"	261.108076	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1531807"	262.101708	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"997162"	131.057676	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1591664"	263.016328	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1421696"	293.047838	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1158549"	151.570951	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1705913"	310.074385	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1647765"	315.02978	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1583778"	331.00372	"C20251"	"1-Keto-D-chiro-inositol;2D-23546-Pentahydroxycyclohexanone"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"813051"	286.1933	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M"	0
"984398"	267.17491	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H2O-H"	-19.01839
"63249"	189.788257333333	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-3H"	-3.021828
"504178"	285.186024	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-3H"	-3.021828
"884531"	94.3904906666667	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-3H"	-3.021828
"1283"	285.186024	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H"	-2.014552
"440349"	428.282674	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H"	-2.014552
"817913"	142.089374	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H"	-2.014552
"83741"	571.379324	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-H"	-1.007276
"519411"	857.572624	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-H"	-1.007276
"896235"	285.186024	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H"	-1.007276
"57672"	588.405871	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H+NH4"	16.019271
"493950"	874.599171	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H+NH4"	16.019271
"871755"	302.212571	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H+NH4"	16.019271
"33456"	593.361266	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H+Na"	20.974666
"475936"	879.554566	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H+Na"	20.974666
"848631"	307.167966	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H+Na"	20.974666
"1619259"	307.167966	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na-2H"	20.974666
"94816"	303.174363	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-H+Cl"	33.962126
"534293"	446.271013	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-H+Cl"	33.962126
"927103"	160.077713	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+Cl"	33.962126
"274715"	607.356002	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Cl"	34.969402
"663856"	893.549302	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+Cl"	34.969402
"1273041"	321.162702	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl"	34.969402
"15782"	609.335206	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M-2H+K"	36.948606
"467128"	895.528506	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M-2H+K"	36.948606
"839463"	323.141906	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-2H+K"	36.948606
"1562953"	323.141906	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K-2H"	36.948606
"954126"	331.191494	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+HCOOH"	44.998194
"367967"	617.384801	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+HCOOH-H"	44.998201
"356223"	631.400451	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Hac-H"	59.013851
"1498494"	345.207151	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Hac-H"	59.013851
"964942"	353.173451	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+NaCOOH"	66.980151
"113848"	321.162702	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2Cl"	69.938804
"556693"	464.259352	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2Cl"	69.938804
"1028772"	178.066052	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2Cl"	69.938804
"1252734"	365.112185	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Br"	78.918885
"1314089"	367.168172	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl+HCOOH"	80.974872
"1327212"	389.150129	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl+NaCOOH"	102.956829
"920455"	399.178886	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M-H+CF3COOH"	112.985586
"1298257"	435.155564	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Cl+CF3COOH"	148.962264
"1375322"	251.180624	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H-2H2O"	-35.012676
"1391723"	269.1906	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H-H2O"	-17.0027
"290315"	573.393876	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H"	1.007276
"683830"	859.587176	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H"	1.007276
"1359087"	287.200576	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H"	1.007276
"138177"	287.200576	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2H"	2.014552
"573726"	430.297226	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2H"	2.014552
"1045805"	144.103926	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2H"	2.014552
"211522"	191.802809333333	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+3H"	3.021828
"651079"	287.200576	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+3H"	3.021828
"1172131"	96.4050426666667	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+3H"	3.021828
"433582"	590.420423	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+NH4"	18.033823
"795669"	876.613723	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+NH4"	18.033823
"1687624"	304.227123	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+NH4"	18.033823
"338089"	295.7138495	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H+NH4"	19.041099
"731602"	438.8104995	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H+NH4"	19.041099
"1483959"	152.6171995	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+NH4"	19.041099
"400085"	595.375818	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Na"	22.989218
"762908"	881.569118	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+Na"	22.989218
"1608818"	309.182518	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na"	22.989218
"322134"	298.191547	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H+Na"	23.996494
"714554"	441.288197	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H+Na"	23.996494
"1466187"	155.094897	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+Na"	23.996494
"1055787"	103.732356666667	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2H+Na"	25.00377
"1259287"	319.226786	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+CH3OH+H"	33.033486
"379690"	611.349758	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+K"	38.963158
"741780"	897.543058	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+K"	38.963158
"1544929"	325.156458	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K"	38.963158
"303197"	306.178517	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+H+K"	39.970434
"691393"	449.275167	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+H+K"	39.970434
"1450534"	163.081867	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+K"	39.970434
"236217"	614.420426	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+ACN+H"	42.033826
"1217313"	328.227126	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+ACN+H"	42.033826
"1205576"	164.617201	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+ACN+2H"	43.041102
"199175"	617.35776	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2Na-H"	44.97116
"643488"	903.55106	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2Na-H"	44.97116
"1146263"	331.16446	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2Na-H"	44.97116
"177153"	309.182518	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2Na"	45.978436
"621085"	452.279168	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2Na"	45.978436
"1122403"	166.085868	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2Na"	45.978436
"1408114"	111.059670666667	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+2Na"	46.985712
"1436949"	333.206046	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+HCOOH"	47.012746
"231016"	314.21554	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+3H2O+2H"	56.04448
"1515799"	347.25809	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+IsoProp+H"	61.06479
"413297"	317.169488	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+Na+K"	61.952376
"774291"	460.266138	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+Na+K"	61.952376
"1668439"	174.072838	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na+K"	61.952376
"257146"	636.402368	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+ACN+Na"	64.015768
"1228761"	350.209068	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+ACN+Na"	64.015768
"1715096"	350.232593	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+NH4+HCOOH"	64.039293
"1181908"	118.386984666667	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+3Na"	68.967654
"1651803"	355.187988	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na+HCOOH"	68.994688
"160850"	649.30564	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2K-H"	76.91904
"600774"	935.49894	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2K-H"	76.91904
"1086019"	363.11234	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2K-H"	76.91904
"145022"	325.156458	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"2M+2K"	77.926316
"590058"	468.253108	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"3M+2K"	77.926316
"1079671"	182.059808	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2K"	77.926316
"1103402"	365.126892	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2K+H"	78.933592
"1343068"	365.214507	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+DMSO+H"	79.021207
"1013788"	369.253676	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2ACN+H"	83.060376
"1530820"	370.247308	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+IsoProp+Na+H"	84.054008
"995083"	185.130476	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+2ACN+2H"	84.067652
"1591772"	371.161928	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K+HCOOH"	84.968628
"1420712"	401.193438	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+H+CF3COOH"	115.000138
"1152098"	205.643751	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+3ACN+2H"	125.094202
"1701649"	418.219985	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+NH4+CF3COOH"	132.026685
"1639487"	423.17538	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+Na+CF3COOH"	136.98208
"1583888"	439.14932	"C20252"	"5-Androstene-317-dione"	"C19H26O2"	"286.1933"	"M+K+CF3COOH"	152.95602
"810972"	87.032	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M"	0
"981226"	68.01361	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-H2O-H"	-19.01839
"71656"	57.0140573333333	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M-3H"	-3.021828
"503801"	86.024724	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M-3H"	-3.021828
"880510"	28.0033906666667	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-3H"	-3.021828
"662"	86.024724	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M-2H"	-2.014552
"441435"	129.540724	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M-2H"	-2.014552
"817780"	42.508724	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-2H"	-2.014552
"80571"	173.056724	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M-H"	-1.007276
"518912"	260.088724	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M-H"	-1.007276
"897072"	86.024724	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-H"	-1.007276
"56688"	190.083271	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M-2H+NH4"	16.019271
"491873"	277.115271	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M-2H+NH4"	16.019271
"869678"	103.051271	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-2H+NH4"	16.019271
"34295"	195.038666	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M-2H+Na"	20.974666
"474953"	282.070666	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M-2H+Na"	20.974666
"851659"	108.006666	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-2H+Na"	20.974666
"1618794"	108.006666	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Na-2H"	20.974666
"94926"	104.013063	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M-H+Cl"	33.962126
"534842"	147.529063	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M-H+Cl"	33.962126
"927992"	60.497063	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-H+Cl"	33.962126
"267679"	209.033402	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+Cl"	34.969402
"665059"	296.065402	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+Cl"	34.969402
"1273797"	122.001402	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Cl"	34.969402
"16124"	211.012606	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M-2H+K"	36.948606
"463960"	298.044606	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M-2H+K"	36.948606
"836293"	123.980606	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-2H+K"	36.948606
"1556500"	123.980606	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+K-2H"	36.948606
"950955"	132.030194	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-H+HCOOH"	44.998194
"369170"	219.062201	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+HCOOH-H"	44.998201
"356333"	233.077851	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+Hac-H"	59.013851
"1501884"	146.045851	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Hac-H"	59.013851
"962865"	154.012151	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-H+NaCOOH"	66.980151
"111771"	122.001402	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+2Cl"	69.938804
"556803"	165.517402	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+2Cl"	69.938804
"1025602"	78.485402	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2Cl"	69.938804
"1250658"	165.950885	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Br"	78.918885
"1310918"	168.006872	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Cl+HCOOH"	80.974872
"1328414"	189.988829	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Cl+NaCOOH"	102.956829
"918378"	200.017586	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M-H+CF3COOH"	112.985586
"1298366"	235.994264	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Cl+CF3COOH"	148.962264
"1375432"	52.019324	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H-2H2O"	-35.012676
"1390739"	70.0293	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H-H2O"	-17.0027
"287145"	175.071276	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+H"	1.007276
"683940"	262.103276	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+H"	1.007276
"1358104"	88.039276	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H"	1.007276
"138651"	88.039276	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+2H"	2.014552
"572743"	131.555276	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+2H"	2.014552
"1047008"	44.523276	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2H"	2.014552
"212360"	59.0286093333333	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+3H"	3.021828
"651553"	88.039276	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+3H"	3.021828
"1172605"	30.0179426666667	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+3H"	3.021828
"433692"	192.097823	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+NH4"	18.033823
"795779"	279.129823	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+NH4"	18.033823
"1688827"	105.065823	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+NH4"	18.033823
"339292"	96.5525495	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+H+NH4"	19.041099
"731712"	140.0685495	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+H+NH4"	19.041099
"1484434"	53.0365495	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H+NH4"	19.041099
"399831"	197.053218	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+Na"	22.989218
"763018"	284.085218	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+Na"	22.989218
"1608928"	110.021218	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Na"	22.989218
"322244"	99.030247	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+H+Na"	23.996494
"714664"	142.546247	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+H+Na"	23.996494
"1469577"	55.514247	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H+Na"	23.996494
"1057355"	37.3452566666667	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2H+Na"	25.00377
"1258306"	120.065486	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+CH3OH+H"	33.033486
"380165"	213.027158	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+K"	38.963158
"741890"	300.059158	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+K"	38.963158
"1547226"	125.995158	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+K"	38.963158
"304401"	107.017217	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+H+K"	39.970434
"691505"	150.533217	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+H+K"	39.970434
"1445820"	63.501217	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H+K"	39.970434
"236441"	216.097826	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+ACN+H"	42.033826
"1218516"	129.065826	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+ACN+H"	42.033826
"1204593"	65.036551	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+ACN+2H"	43.041102
"198556"	219.03516	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+2Na-H"	44.97116
"642498"	306.06716	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+2Na-H"	44.97116
"1144542"	132.00316	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2Na-H"	44.97116
"177263"	110.021218	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+2Na"	45.978436
"617915"	153.537218	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+2Na"	45.978436
"1127615"	66.505218	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2Na"	45.978436
"1406034"	44.6725706666667	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H+2Na"	46.985712
"1435963"	134.044746	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H+HCOOH"	47.012746
"225659"	115.05424	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+3H2O+2H"	56.04448
"1514813"	148.09679	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+IsoProp+H"	61.06479
"412315"	118.008188	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+Na+K"	61.952376
"770880"	161.524188	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+Na+K"	61.952376
"1671829"	74.492188	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Na+K"	61.952376
"258349"	238.079768	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+ACN+Na"	64.015768
"1228871"	151.047768	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+ACN+Na"	64.015768
"1715571"	151.071293	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+NH4+HCOOH"	64.039293
"1183111"	51.9998846666667	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+3Na"	68.967654
"1651909"	156.026688	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Na+HCOOH"	68.994688
"160960"	250.98304	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+2K-H"	76.91904
"600520"	338.01504	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+2K-H"	76.91904
"1085399"	163.95104	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2K-H"	76.91904
"144038"	125.995158	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"2M+2K"	77.926316
"592353"	169.511158	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"3M+2K"	77.926316
"1079052"	82.479158	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2K"	77.926316
"1101446"	165.965592	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2K+H"	78.933592
"1342085"	166.053207	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+DMSO+H"	79.021207
"1012805"	170.092376	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2ACN+H"	83.060376
"1529837"	171.086008	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+IsoProp+Na+H"	84.054008
"996285"	85.549826	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+2ACN+2H"	84.067652
"1591882"	172.000628	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+K+HCOOH"	84.968628
"1420823"	202.032138	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+H+CF3COOH"	115.000138
"1154395"	106.063101	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+3ACN+2H"	125.094202
"1701759"	219.058685	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+NH4+CF3COOH"	132.026685
"1638504"	224.01408	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+Na+CF3COOH"	136.98208
"1583998"	239.98802	"C20253"	"Aminoacrylate;(Z)-3-Aminoacrylate"	"C3H5NO2"	"87.032"	"M+K+CF3COOH"	152.95602
"811082"	130.0378	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M"	0
"981336"	111.01941	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-H2O-H"	-19.01839
"73953"	85.6845906666667	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M-3H"	-3.021828
"506950"	129.030524	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M-3H"	-3.021828
"883660"	42.3386573333333	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-3H"	-3.021828
"5515"	129.030524	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M-2H"	-2.014552
"443979"	194.049424	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M-2H"	-2.014552
"821776"	64.011624	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-2H"	-2.014552
"81774"	259.068324	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M-H"	-1.007276
"519265"	389.106124	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M-H"	-1.007276
"897307"	129.030524	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-H"	-1.007276
"56798"	276.094871	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M-2H+NH4"	16.019271
"491983"	406.132671	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M-2H+NH4"	16.019271
"870881"	146.057071	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-2H+NH4"	16.019271
"33554"	281.050266	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M-2H+Na"	20.974666
"476156"	411.088066	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M-2H+Na"	20.974666
"849459"	151.012466	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-2H+Na"	20.974666
"1619230"	151.012466	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Na-2H"	20.974666
"96008"	147.018863	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M-H+Cl"	33.962126
"534752"	212.037763	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M-H+Cl"	33.962126
"927857"	81.999963	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-H+Cl"	33.962126
"267631"	295.045002	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+Cl"	34.969402
"665169"	425.082802	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+Cl"	34.969402
"1273007"	165.007202	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Cl"	34.969402
"16351"	297.024206	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M-2H+K"	36.948606
"464070"	427.062006	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M-2H+K"	36.948606
"837496"	166.986406	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-2H+K"	36.948606
"1557341"	166.986406	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+K-2H"	36.948606
"952160"	175.035994	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-H+HCOOH"	44.998194
"374749"	305.073801	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+HCOOH-H"	44.998201
"356079"	319.089451	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+Hac-H"	59.013851
"1501994"	189.051651	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Hac-H"	59.013851
"964070"	197.017951	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-H+NaCOOH"	66.980151
"115164"	165.007202	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+2Cl"	69.938804
"556913"	230.026102	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+2Cl"	69.938804
"1026805"	99.988302	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2Cl"	69.938804
"1251863"	208.956685	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Br"	78.918885
"1314311"	211.012672	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Cl+HCOOH"	80.974872
"1331805"	232.994629	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Cl+NaCOOH"	102.956829
"923955"	243.023386	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M-H+CF3COOH"	112.985586
"1299570"	279.000064	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Cl+CF3COOH"	148.962264
"1374449"	95.025124	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H-2H2O"	-35.012676
"1389756"	113.0351	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H-H2O"	-17.0027
"287255"	261.082876	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+H"	1.007276
"684050"	391.120676	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+H"	1.007276
"1361497"	131.045076	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H"	1.007276
"137668"	131.045076	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+2H"	2.014552
"572853"	196.063976	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+2H"	2.014552
"1046025"	66.026176	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2H"	2.014552
"211742"	87.6991426666667	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+3H"	3.021828
"650570"	131.045076	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+3H"	3.021828
"1173807"	44.3532093333333	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+3H"	3.021828
"434895"	278.109423	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+NH4"	18.033823
"798075"	408.147223	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+NH4"	18.033823
"1688937"	148.071623	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+NH4"	18.033823
"340495"	139.5583495	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+H+NH4"	19.041099
"732915"	204.5772495	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+H+NH4"	19.041099
"1483451"	74.5394495	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H+NH4"	19.041099
"398848"	283.064818	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+Na"	22.989218
"760942"	413.102618	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+Na"	22.989218
"1607945"	153.027018	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Na"	22.989218
"320170"	142.036047	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+H+Na"	23.996494
"713683"	207.054947	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+H+Na"	23.996494
"1466407"	77.017147	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H+Na"	23.996494
"1057468"	51.6805233333333	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2H+Na"	25.00377
"1258537"	163.071286	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+CH3OH+H"	33.033486
"381004"	299.038758	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+K"	38.963158
"743093"	429.076558	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+K"	38.963158
"1547336"	169.000958	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+K"	38.963158
"303418"	150.023017	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+H+K"	39.970434
"696930"	215.041917	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+H+K"	39.970434
"1446134"	85.004117	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H+K"	39.970434
"237281"	302.109426	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+ACN+H"	42.033826
"1218626"	172.071626	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+ACN+H"	42.033826
"1207500"	86.539451	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+ACN+2H"	43.041102
"199759"	305.04676	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+2Na-H"	44.97116
"643827"	435.08456	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+2Na-H"	44.97116
"1145508"	175.00896	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2Na-H"	44.97116
"177373"	153.027018	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+2Na"	45.978436
"616202"	218.045918	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+2Na"	45.978436
"1119708"	88.008118	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2Na"	45.978436
"1402866"	59.0078373333333	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H+2Na"	46.985712
"1433887"	177.050546	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H+HCOOH"	47.012746
"223584"	158.06004	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+3H2O+2H"	56.04448
"1510916"	191.10259	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+IsoProp+H"	61.06479
"412425"	161.013988	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+Na+K"	61.952376
"771356"	226.032888	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+Na+K"	61.952376
"1666711"	95.995088	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Na+K"	61.952376
"252992"	324.091368	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+ACN+Na"	64.015768
"1227889"	194.053568	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+ACN+Na"	64.015768
"1714588"	194.077093	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+NH4+HCOOH"	64.039293
"1178681"	66.3351513333333	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+3Na"	68.967654
"1650923"	199.032488	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Na+HCOOH"	68.994688
"159977"	336.99464	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+2K-H"	76.91904
"599172"	467.03244	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+2K-H"	76.91904
"1086239"	206.95684	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2K-H"	76.91904
"144510"	169.000958	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"2M+2K"	77.926316
"590274"	234.019858	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"3M+2K"	77.926316
"1075885"	103.982058	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2K"	77.926316
"1105809"	208.971392	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2K+H"	78.933592
"1342195"	209.059007	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+DMSO+H"	79.021207
"1010732"	213.098176	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2ACN+H"	83.060376
"1528857"	214.091808	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+IsoProp+Na+H"	84.054008
"995305"	107.052726	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+2ACN+2H"	84.067652
"1596370"	215.006428	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+K+HCOOH"	84.968628
"1420934"	245.037938	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+H+CF3COOH"	115.000138
"1159973"	127.566001	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+3ACN+2H"	125.094202
"1705150"	262.064485	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+NH4+CF3COOH"	132.026685
"1639707"	267.01988	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+Na+CF3COOH"	136.98208
"1580828"	282.99382	"C20254"	"Ureidoacrylate;(Z)-3-Ureidoacrylate"	"C4H6N2O3"	"130.0378"	"M+K+CF3COOH"	152.95602
"814474"	187.0481	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M"	0
"981445"	168.02971	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-H2O-H"	-19.01839
"72969"	123.691457333333	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M-3H"	-3.021828
"505968"	186.040824	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M-3H"	-3.021828
"887050"	61.3420906666667	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-3H"	-3.021828
"5625"	186.040824	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M-2H"	-2.014552
"445182"	279.564874	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M-2H"	-2.014552
"821886"	92.516774	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-2H"	-2.014552
"80791"	373.088924	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M-H"	-1.007276
"525811"	560.137024	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M-H"	-1.007276
"900334"	186.040824	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-H"	-1.007276
"56908"	390.115471	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M-2H+NH4"	16.019271
"494280"	577.163571	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M-2H+NH4"	16.019271
"870991"	203.067371	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-2H+NH4"	16.019271
"33422"	395.070866	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M-2H+Na"	20.974666
"476266"	582.118966	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M-2H+Na"	20.974666
"851150"	208.022766	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-2H+Na"	20.974666
"1622505"	208.022766	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Na-2H"	20.974666
"97212"	204.029163	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M-H+Cl"	33.962126
"536410"	297.553213	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M-H+Cl"	33.962126
"929193"	110.505113	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-H+Cl"	33.962126
"268724"	409.065602	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+Cl"	34.969402
"660533"	596.113702	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+Cl"	34.969402
"1273421"	222.017502	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Cl"	34.969402
"21332"	411.044806	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M-2H+K"	36.948606
"464179"	598.092906	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M-2H+K"	36.948606
"835785"	223.996706	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-2H+K"	36.948606
"1557087"	223.996706	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+K-2H"	36.948606
"955181"	232.046294	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-H+HCOOH"	44.998194
"369390"	419.094401	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+HCOOH-H"	44.998201
"355096"	433.110051	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+Hac-H"	59.013851
"1495908"	246.061951	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Hac-H"	59.013851
"966366"	254.028251	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-H+NaCOOH"	66.980151
"115274"	222.017502	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+2Cl"	69.938804
"557023"	315.541552	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+2Cl"	69.938804
"1026915"	128.493452	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2Cl"	69.938804
"1251973"	265.966985	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Br"	78.918885
"1314421"	268.022972	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Cl+HCOOH"	80.974872
"1330824"	290.004929	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Cl+NaCOOH"	102.956829
"923702"	300.033686	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M-H+CF3COOH"	112.985586
"1299679"	336.010364	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Cl+CF3COOH"	148.962264
"1373466"	152.035424	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H-2H2O"	-35.012676
"1389867"	170.0454	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H-H2O"	-17.0027
"288458"	375.103476	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+H"	1.007276
"681974"	562.151576	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+H"	1.007276
"1361607"	188.055376	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H"	1.007276
"136686"	188.055376	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+2H"	2.014552
"571870"	281.579426	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+2H"	2.014552
"1041397"	94.531326	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2H"	2.014552
"212946"	125.706009333333	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+3H"	3.021828
"648858"	188.055376	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+3H"	3.021828
"1169902"	63.3566426666667	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+3H"	3.021828
"437191"	392.130023	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+NH4"	18.033823
"798914"	579.178123	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+NH4"	18.033823
"1690140"	205.081923	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+NH4"	18.033823
"334407"	196.5686495	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+H+NH4"	19.041099
"729746"	290.0926995	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+H+NH4"	19.041099
"1482468"	103.0445995	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H+NH4"	19.041099
"394580"	397.085418	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+Na"	22.989218
"759953"	584.133518	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+Na"	22.989218
"1605865"	210.037318	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Na"	22.989218
"320277"	199.046347	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+H+Na"	23.996494
"710514"	292.570397	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+H+Na"	23.996494
"1466517"	105.522297	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H+Na"	23.996494
"1054662"	70.6839566666667	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2H+Na"	25.00377
"1258890"	220.081586	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+CH3OH+H"	33.033486
"379292"	413.059358	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+K"	38.963158
"742110"	600.107458	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+K"	38.963158
"1544162"	226.011258	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+K"	38.963158
"303529"	207.033317	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+H+K"	39.970434
"694125"	300.557367	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+H+K"	39.970434
"1446973"	113.509267	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H+K"	39.970434
"236300"	416.130026	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+ACN+H"	42.033826
"1214364"	229.081926	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+ACN+H"	42.033826
"1207731"	115.044601	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+ACN+2H"	43.041102
"197683"	419.06736	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+2Na-H"	44.97116
"643817"	606.11546	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+2Na-H"	44.97116
"1146668"	232.01926	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2Na-H"	44.97116
"178576"	210.037318	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+2Na"	45.978436
"615948"	303.561368	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+2Na"	45.978436
"1118725"	116.513268	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2Na"	45.978436
"1402975"	78.0112706666667	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H+2Na"	46.985712
"1431078"	234.060846	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H+HCOOH"	47.012746
"225880"	215.07034	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+3H2O+2H"	56.04448
"1512847"	248.11289	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+IsoProp+H"	61.06479
"412535"	218.024288	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+Na+K"	61.952376
"771466"	311.548338	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+Na+K"	61.952376
"1668765"	124.500238	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Na+K"	61.952376
"254196"	438.111968	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+ACN+Na"	64.015768
"1227999"	251.063868	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+ACN+Na"	64.015768
"1714210"	251.087393	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+NH4+HCOOH"	64.039293
"1180294"	85.3385846666667	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+3Na"	68.967654
"1651155"	256.042788	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Na+HCOOH"	68.994688
"160087"	451.01524	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+2K-H"	76.91904
"601833"	638.06334	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+2K-H"	76.91904
"1086348"	263.96714	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2K-H"	76.91904
"145351"	226.011258	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"2M+2K"	77.926316
"586009"	319.535308	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"3M+2K"	77.926316
"1075991"	132.487208	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2K"	77.926316
"1103732"	265.981692	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2K+H"	78.933592
"1338051"	266.069307	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+DMSO+H"	79.021207
"1010838"	270.108476	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2ACN+H"	83.060376
"1527871"	271.102108	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+IsoProp+Na+H"	84.054008
"994318"	135.557876	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+2ACN+2H"	84.067652
"1597573"	272.016728	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+K+HCOOH"	84.968628
"1418857"	302.048238	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+H+CF3COOH"	115.000138
"1157897"	156.071151	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+3ACN+2H"	125.094202
"1705260"	319.074785	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+NH4+CF3COOH"	132.026685
"1639817"	324.03018	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+Na+CF3COOH"	136.98208
"1580938"	340.00412	"C20258"	"(2S4S)-4-Hydroxy-2345-tetrahydrodipicolinate;(2S4S)-4-Hydroxy-2345-tetrahydropyridine-26-dicarboxylate;HTPA"	"C7H9NO5"	"187.0481"	"M+K+CF3COOH"	152.95602
"811303"	737.2749	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M"	0
"987023"	718.25651	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-H2O-H"	-19.01839
"74173"	490.509324	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M-3H"	-3.021828
"506078"	736.267624	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M-3H"	-3.021828
"881693"	244.751024	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-3H"	-3.021828
"4641"	736.267624	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M-2H"	-2.014552
"445292"	1104.905074	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M-2H"	-2.014552
"820541"	367.630174	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-2H"	-2.014552
"80896"	1473.542524	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M-H"	-1.007276
"519366"	2210.817424	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M-H"	-1.007276
"898256"	736.267624	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-H"	-1.007276
"60300"	1490.569071	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M-2H+NH4"	16.019271
"495483"	2227.843971	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M-2H+NH4"	16.019271
"876204"	753.294171	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-2H+NH4"	16.019271
"36813"	1495.524466	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M-2H+Na"	20.974666
"481843"	2232.799366	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M-2H+Na"	20.974666
"850897"	758.249566	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-2H+Na"	20.974666
"1625897"	758.249566	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Na-2H"	20.974666
"102426"	754.255963	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M-H+Cl"	33.962126
"537611"	1122.893413	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M-H+Cl"	33.962126
"931126"	385.618513	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-H+Cl"	33.962126
"268956"	1509.519202	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+Cl"	34.969402
"661375"	2246.794102	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+Cl"	34.969402
"1273171"	772.244302	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Cl"	34.969402
"21442"	1511.498406	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M-2H+K"	36.948606
"464289"	2248.773306	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M-2H+K"	36.948606
"838812"	774.223506	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-2H+K"	36.948606
"1562300"	774.223506	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+K-2H"	36.948606
"955291"	782.273094	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-H+HCOOH"	44.998194
"369500"	1519.548001	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+HCOOH-H"	44.998201
"356663"	1533.563651	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+Hac-H"	59.013851
"1498205"	796.288751	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Hac-H"	59.013851
"967570"	804.255051	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-H+NaCOOH"	66.980151
"115748"	772.244302	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+2Cl"	69.938804
"556038"	1140.881752	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+2Cl"	69.938804
"1027025"	403.606852	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2Cl"	69.938804
"1255363"	816.193785	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Br"	78.918885
"1318904"	818.249772	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Cl+HCOOH"	80.974872
"1332392"	840.231729	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Cl+NaCOOH"	102.956829
"925635"	850.260486	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M-H+CF3COOH"	112.985586
"1303842"	886.237164	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Cl+CF3COOH"	148.962264
"1376856"	702.262224	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H-2H2O"	-35.012676
"1389977"	720.2722	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H-H2O"	-17.0027
"288568"	1475.557076	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+H"	1.007276
"684270"	2212.831976	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+H"	1.007276
"1362810"	738.282176	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H"	1.007276
"134606"	738.282176	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+2H"	2.014552
"575260"	1106.919626	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+2H"	2.014552
"1044422"	369.644726	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2H"	2.014552
"214150"	492.523876	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+3H"	3.021828
"650790"	738.282176	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+3H"	3.021828
"1170013"	246.765576	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+3H"	3.021828
"439491"	1492.583623	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+NH4"	18.033823
"799632"	2229.858523	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+NH4"	18.033823
"1689157"	755.308723	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+NH4"	18.033823
"335247"	746.7954495	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+H+NH4"	19.041099
"729856"	1115.4328995	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+H+NH4"	19.041099
"1484765"	378.1579995	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H+NH4"	19.041099
"397243"	1497.539018	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+Na"	22.989218
"758970"	2234.813918	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+Na"	22.989218
"1608161"	760.264118	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Na"	22.989218
"321480"	749.273147	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+H+Na"	23.996494
"713903"	1117.910597	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+H+Na"	23.996494
"1465534"	380.635697	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H+Na"	23.996494
"1056231"	254.09289	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2H+Na"	25.00377
"1260459"	770.308386	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+CH3OH+H"	33.033486
"381224"	1513.512958	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+K"	38.963158
"744407"	2250.787858	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+K"	38.963158
"1547555"	776.238058	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+K"	38.963158
"309835"	757.260117	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+H+K"	39.970434
"697151"	1125.897567	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+H+K"	39.970434
"1450975"	388.622667	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H+K"	39.970434
"238481"	1516.583626	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+ACN+H"	42.033826
"1215567"	779.308726	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+ACN+H"	42.033826
"1207841"	390.158001	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+ACN+2H"	43.041102
"198886"	1519.52096	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+2Na-H"	44.97116
"639906"	2256.79586	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+2Na-H"	44.97116
"1143412"	782.24606	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2Na-H"	44.97116
"179050"	760.264118	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+2Na"	45.978436
"619338"	1128.901568	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+2Na"	45.978436
"1125031"	391.626668	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2Na"	45.978436
"1406367"	261.420204	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H+2Na"	46.985712
"1435203"	784.287646	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H+HCOOH"	47.012746
"228179"	765.29714	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+3H2O+2H"	56.04448
"1515146"	798.33969	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+IsoProp+H"	61.06479
"412645"	768.251088	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+Na+K"	61.952376
"770966"	1136.888538	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+Na+K"	61.952376
"1671062"	399.613638	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Na+K"	61.952376
"253213"	1538.565568	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+ACN+Na"	64.015768
"1228109"	801.290668	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+ACN+Na"	64.015768
"1714563"	801.314193	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+NH4+HCOOH"	64.039293
"1181255"	268.747518	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+3Na"	68.967654
"1651266"	806.269588	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Na+HCOOH"	68.994688
"163477"	1551.46884	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+2K-H"	76.91904
"605225"	2288.74374	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+2K-H"	76.91904
"1089007"	814.19394	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2K-H"	76.91904
"150928"	776.238058	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"2M+2K"	77.926316
"582838"	1144.875508	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"3M+2K"	77.926316
"1075008"	407.600608	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2K"	77.926316
"1103842"	816.208492	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2K+H"	78.933592
"1338040"	816.296107	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+DMSO+H"	79.021207
"1012041"	820.335276	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2ACN+H"	83.060376
"1530167"	821.328908	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+IsoProp+Na+H"	84.054008
"994432"	410.671276	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+2ACN+2H"	84.067652
"1594403"	822.243528	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+K+HCOOH"	84.968628
"1421153"	852.275038	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+H+CF3COOH"	115.000138
"1154724"	431.184551	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+3ACN+2H"	125.094202
"1705370"	869.301585	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+NH4+CF3COOH"	132.026685
"1636647"	874.25698	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+Na+CF3COOH"	136.98208
"1581048"	890.23092	"C20259"	"Mertansine;DM 1"	"C35H48ClN3O10S"	"737.2749"	"M+K+CF3COOH"	152.95602
"811413"	152.1201	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M"	0
"981667"	133.10171	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"71003"	100.406124	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"504002"	151.112824	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"879974"	49.699424	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"2565"	151.112824	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"440010"	227.172874	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"817248"	75.052774	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"78591"	303.232924	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"518663"	455.353024	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"898376"	151.112824	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"52753"	320.259471	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"490126"	472.379571	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"873034"	168.139371	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"34735"	325.214866	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"478673"	477.334966	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"849914"	173.094766	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1621634"	173.094766	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"95610"	169.101163	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"536264"	245.161213	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"928075"	93.041113	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"269430"	339.209602	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"660183"	491.329702	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1272950"	187.089502	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"20823"	341.188806	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"463306"	493.308906	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"837828"	189.068706	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1562410"	189.068706	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"955765"	197.118294	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"369610"	349.238401	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"356773"	363.254051	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1499044"	211.133951	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"965493"	219.100251	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"112942"	187.089502	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"554326"	263.149552	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1026406"	111.029452	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1254379"	231.038985	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1316828"	233.094972	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1332137"	255.076929	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"925014"	265.105686	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1299899"	301.082364	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1375873"	117.107424	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1390087"	135.1174	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"286492"	305.247476	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"681101"	457.367576	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1361827"	153.127376	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H"	1.007276
"133623"	153.127376	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"575370"	229.187426	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1043075"	77.067326	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"214259"	102.420676	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"648713"	153.127376	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1168665"	51.713976	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"435223"	322.274023	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"797311"	474.394123	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1688174"	170.153923	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"336450"	161.6406495	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"729966"	237.7006995	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1482689"	85.5805995	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"395167"	327.229418	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"759080"	479.349518	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1604624"	175.109318	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"321590"	164.118347	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"712920"	240.178397	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1465644"	88.058297	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1056706"	59.04129	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1260569"	185.153586	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"380605"	343.203358	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"745610"	495.323458	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1545478"	191.083258	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+K"	38.963158
"310309"	172.105317	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"697261"	248.165367	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1449991"	96.045267	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"240776"	346.274026	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1215677"	194.153926	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1207951"	97.580601	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"197903"	349.21136	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"640016"	501.33146	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1143521"	197.09126	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"188157"	175.109318	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"617261"	251.169368	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1125141"	99.049268	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1406477"	66.368604	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1435313"	199.132846	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"228289"	180.14234	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1518536"	213.18489	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"413849"	183.096288	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"771565"	259.156338	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1668259"	107.036238	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"253323"	368.255968	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1230406"	216.135868	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1714309"	216.159393	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1182459"	73.695918	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1654535"	221.114788	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"160303"	381.15924	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"600960"	533.27934	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1092035"	229.03914	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"151038"	191.083258	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"582339"	267.143308	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1070492"	115.023208	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1102859"	231.053692	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1338151"	231.141307	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1012151"	235.180476	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1529183"	236.174108	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"994541"	118.093876	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1594513"	237.088728	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1421263"	267.120238	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1153740"	138.607151	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1705480"	284.146785	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1636757"	289.10218	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1584438"	305.07612	"C20260"	"()-Thujan-3-one;()-Isothujone"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"804962"	154.1358	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M"	0
"981775"	135.11741	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-H2O-H"	-19.01839
"63821"	101.749924	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M-3H"	-3.021828
"507027"	153.128524	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M-3H"	-3.021828
"882642"	50.371324	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-3H"	-3.021828
"1946"	153.128524	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M-2H"	-2.014552
"440166"	230.196424	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M-2H"	-2.014552
"817601"	76.060624	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-2H"	-2.014552
"79173"	307.264324	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M-H"	-1.007276
"518972"	461.400124	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M-H"	-1.007276
"897393"	153.128524	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-H"	-1.007276
"52863"	324.290871	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M-2H+NH4"	16.019271
"489143"	478.426671	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M-2H+NH4"	16.019271
"873873"	170.155071	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-2H+NH4"	16.019271
"34846"	329.246266	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M-2H+Na"	20.974666
"478783"	483.382066	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M-2H+Na"	20.974666
"853668"	175.110466	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-2H+Na"	20.974666
"1622108"	175.110466	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Na-2H"	20.974666
"98636"	171.116863	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M-H+Cl"	33.962126
"540747"	248.184763	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M-H+Cl"	33.962126
"933533"	94.048963	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-H+Cl"	33.962126
"269540"	343.241002	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+Cl"	34.969402
"664511"	497.376802	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+Cl"	34.969402
"1274000"	189.105202	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Cl"	34.969402
"21661"	345.220206	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M-2H+K"	36.948606
"458313"	499.356006	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M-2H+K"	36.948606
"840124"	191.084406	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-2H+K"	36.948606
"1558145"	191.084406	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+K-2H"	36.948606
"954783"	199.133994	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-H+HCOOH"	44.998194
"369720"	353.269801	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+HCOOH-H"	44.998201
"355790"	367.285451	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+Hac-H"	59.013851
"1496967"	213.149651	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Hac-H"	59.013851
"965603"	221.115951	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-H+NaCOOH"	66.980151
"112688"	189.105202	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+2Cl"	69.938804
"554072"	266.173102	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+2Cl"	69.938804
"1026152"	112.037302	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2Cl"	69.938804
"1255583"	233.054685	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Br"	78.918885
"1318028"	235.110672	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Cl+HCOOH"	80.974872
"1334188"	257.092629	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Cl+NaCOOH"	102.956829
"925853"	267.121386	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M-H+CF3COOH"	112.985586
"1301831"	303.098064	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Cl+CF3COOH"	148.962264
"1375982"	119.123124	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H-2H2O"	-35.012676
"1382905"	137.1331	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H-H2O"	-17.0027
"285509"	309.278876	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+H"	1.007276
"681211"	463.414676	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+H"	1.007276
"1360844"	155.143076	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H"	1.007276
"133733"	155.143076	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+2H"	2.014552
"575480"	232.210976	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+2H"	2.014552
"1045371"	78.075176	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2H"	2.014552
"208901"	103.764476	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+3H"	3.021828
"645542"	155.143076	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+3H"	3.021828
"1166952"	52.385876	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+3H"	3.021828
"435333"	326.305423	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+NH4"	18.033823
"797421"	480.441223	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+NH4"	18.033823
"1688284"	172.169623	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+NH4"	18.033823
"337653"	163.6563495	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+H+NH4"	19.041099
"727890"	240.7242495	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+H+NH4"	19.041099
"1482798"	86.5884495	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H+NH4"	19.041099
"395273"	331.260818	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+Na"	22.989218
"756634"	485.396618	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+Na"	22.989218
"1605098"	177.125018	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Na"	22.989218
"316594"	166.134047	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+H+Na"	23.996494
"711936"	243.201947	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+H+Na"	23.996494
"1463567"	89.066147	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H+Na"	23.996494
"1056816"	59.71319	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2H+Na"	25.00377
"1259586"	187.169286	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+CH3OH+H"	33.033486
"377798"	347.234758	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+K"	38.963158
"742440"	501.370558	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+K"	38.963158
"1543401"	193.098958	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+K"	38.963158
"303859"	174.121017	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+H+K"	39.970434
"695184"	251.188917	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+H+K"	39.970434
"1450101"	97.053117	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H+K"	39.970434
"240886"	350.305426	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+ACN+H"	42.033826
"1215787"	196.169626	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+ACN+H"	42.033826
"1206968"	98.588451	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+ACN+2H"	43.041102
"198013"	353.24276	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+2Na-H"	44.97116
"641219"	507.37856	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+2Na-H"	44.97116
"1144360"	199.10696	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2Na-H"	44.97116
"186562"	177.125018	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+2Na"	45.978436
"617371"	254.192918	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+2Na"	45.978436
"1118690"	100.057118	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2Na"	45.978436
"1405493"	67.040504	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H+2Na"	46.985712
"1439797"	201.148546	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H+HCOOH"	47.012746
"226212"	182.15804	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+3H2O+2H"	56.04448
"1516459"	215.20059	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+IsoProp+H"	61.06479
"413958"	185.111988	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+Na+K"	61.952376
"774953"	262.179888	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+Na+K"	61.952376
"1671284"	108.044088	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Na+K"	61.952376
"256712"	372.287368	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+ACN+Na"	64.015768
"1231609"	218.151568	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+ACN+Na"	64.015768
"1719399"	218.175093	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+NH4+HCOOH"	64.039293
"1184755"	74.367818	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+3Na"	68.967654
"1662300"	223.130488	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Na+HCOOH"	68.994688
"165881"	385.19064	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+2K-H"	76.91904
"607630"	539.32644	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+2K-H"	76.91904
"1095425"	231.05484	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2K-H"	76.91904
"152242"	193.098958	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"2M+2K"	77.926316
"586331"	270.166858	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"3M+2K"	77.926316
"1070847"	116.031058	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2K"	77.926316
"1101141"	233.069392	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2K+H"	78.933592
"1336430"	233.157007	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+DMSO+H"	79.021207
"1007267"	237.196176	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2ACN+H"	83.060376
"1529293"	238.189808	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+IsoProp+Na+H"	84.054008
"994648"	119.101726	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+2ACN+2H"	84.067652
"1593527"	239.104428	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+K+HCOOH"	84.968628
"1420279"	269.135938	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+H+CF3COOH"	115.000138
"1153850"	139.615001	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+3ACN+2H"	125.094202
"1705590"	286.162485	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+NH4+CF3COOH"	132.026685
"1640147"	291.11788	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+Na+CF3COOH"	136.98208
"1584548"	307.09182	"C20261"	"()-Thujan-3-ol"	"C10H18O"	"154.1358"	"M+K+CF3COOH"	152.95602
"811633"	218.1671	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M"	0
"981888"	199.14871	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"69035"	144.437457333333	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"511876"	217.159824	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"884212"	71.7150906666667	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"7159"	217.159824	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"444534"	326.243374	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"822338"	108.076274	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"82328"	435.326924	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"522983"	653.494024	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"906253"	217.159824	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"55163"	452.353471	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"493628"	670.520571	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"871431"	234.186371	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"33863"	457.308866	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"482174"	675.475966	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"856696"	239.141766	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1627323"	239.141766	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"107131"	235.148163	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"540132"	344.231713	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"932187"	126.064613	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"276578"	471.303602	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"664622"	689.470702	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1281035"	253.136502	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"21039"	473.282806	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"463526"	691.449906	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"839142"	255.115706	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1563724"	255.115706	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"953799"	263.165294	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"369830"	481.332401	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"351891"	495.348051	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1497077"	277.180951	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"963526"	285.147251	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"112798"	253.136502	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"557462"	362.220052	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1031729"	144.052952	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1253503"	297.085985	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1315952"	299.141972	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1331626"	321.123929	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"923046"	331.152686	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1296837"	367.129364	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1376092"	183.154424	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1383055"	201.1644	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"284889"	437.341476	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"676215"	655.508576	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1353663"	219.174376	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H"	1.007276
"134936"	219.174376	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"572310"	328.257926	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1041108"	110.090826	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"205852"	146.452009333333	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"645651"	219.174376	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1164144"	73.7296426666667	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"435442"	454.368023	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"797531"	672.535123	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1685113"	236.200923	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"334484"	227.6876495	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"727996"	336.7711995	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1480722"	118.6040995	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"395021"	459.323418	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"757475"	677.490518	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1606299"	241.156318	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"317793"	230.165347	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"708768"	339.248897	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1463677"	121.081797	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1053766"	81.0569566666667	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1257664"	251.200586	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"377581"	475.297358	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"739876"	693.464458	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1541322"	257.130258	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+K"	38.963158
"303969"	238.152317	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"695294"	347.235867	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1448024"	129.068767	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"240998"	478.368026	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1215897"	260.200926	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1207078"	130.604101	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"198123"	481.30536	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"641329"	699.47246	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1142282"	263.13826	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"187036"	241.156318	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"619668"	350.239868	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1120258"	132.072768	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1405603"	88.3842706666667	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1442823"	265.179846	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"230695"	246.18934	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1519849"	279.23189	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"420629"	249.143288	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"777251"	358.226838	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1673581"	140.059738	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"256822"	500.349968	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1230626"	282.182868	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1719509"	282.206393	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1189238"	95.7115846666667	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1661317"	287.161788	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"168179"	513.25324	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"606645"	731.42034	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1090069"	295.08614	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"151258"	257.130258	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"587537"	366.213808	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1073144"	148.046708	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1101982"	297.100692	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1338364"	297.188307	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1009079"	301.227476	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1528309"	302.221108	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"993664"	151.117376	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1587678"	303.135728	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1418202"	333.167238	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1152866"	171.630651	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1702419"	350.193785	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1640257"	355.14918	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1584658"	371.12312	"C20262"	"Zerumbone"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"811743"	239.1018	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M"	0
"985275"	220.08341	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H2O-H"	-19.01839
"77164"	158.393924	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-3H"	-3.021828
"514172"	238.094524	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-3H"	-3.021828
"889788"	78.693324	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-3H"	-3.021828
"1436"	238.094524	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H"	-2.014552
"442458"	357.645424	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H"	-2.014552
"822448"	118.543624	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H"	-2.014552
"81345"	477.196324	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-H"	-1.007276
"525280"	716.298124	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-H"	-1.007276
"909889"	238.094524	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H"	-1.007276
"62080"	494.222871	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H+NH4"	16.019271
"493739"	733.324671	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H+NH4"	16.019271
"877009"	255.121071	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H+NH4"	16.019271
"39441"	499.178266	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H+Na"	20.974666
"482284"	738.280066	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H+Na"	20.974666
"863125"	260.076466	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H+Na"	20.974666
"1627433"	260.076466	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na-2H"	20.974666
"101774"	256.082863	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-H+Cl"	33.962126
"541335"	375.633763	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-H+Cl"	33.962126
"934849"	136.531963	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+Cl"	33.962126
"275595"	513.173002	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Cl"	34.969402
"665098"	752.274802	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+Cl"	34.969402
"1278230"	274.071202	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl"	34.969402
"21880"	515.152206	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M-2H+K"	36.948606
"463637"	754.254006	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M-2H+K"	36.948606
"846906"	276.050406	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-2H+K"	36.948606
"1568208"	276.050406	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K-2H"	36.948606
"952814"	284.099994	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+HCOOH"	44.998194
"371034"	523.201801	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+HCOOH-H"	44.998201
"350544"	537.217451	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Hac-H"	59.013851
"1495728"	298.115651	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Hac-H"	59.013851
"961450"	306.081951	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+NaCOOH"	66.980151
"112179"	274.071202	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2Cl"	69.938804
"554292"	393.622102	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2Cl"	69.938804
"1026372"	154.520302	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2Cl"	69.938804
"1254341"	318.020685	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Br"	78.918885
"1317885"	320.076672	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl+HCOOH"	80.974872
"1333193"	342.058629	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl+NaCOOH"	102.956829
"923520"	352.087386	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M-H+CF3COOH"	112.985586
"1296947"	388.064064	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Cl+CF3COOH"	148.962264
"1376202"	204.089124	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H-2H2O"	-35.012676
"1384220"	222.0991	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H-H2O"	-17.0027
"284757"	479.210876	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H"	1.007276
"678148"	718.312676	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H"	1.007276
"1354137"	240.109076	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H"	1.007276
"135046"	240.109076	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2H"	2.014552
"572420"	359.659976	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2H"	2.014552
"1042675"	120.558176	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2H"	2.014552
"208027"	160.408476	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+3H"	3.021828
"646124"	240.109076	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+3H"	3.021828
"1167169"	80.707876	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+3H"	3.021828
"432272"	496.237423	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+NH4"	18.033823
"789256"	735.339223	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+NH4"	18.033823
"1684491"	257.135623	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+NH4"	18.033823
"332767"	248.6223495	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H+NH4"	19.041099
"727012"	368.1732495	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H+NH4"	19.041099
"1481925"	129.0714495	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+NH4"	19.041099
"395130"	501.192818	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Na"	22.989218
"758314"	740.294618	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+Na"	22.989218
"1606776"	262.091018	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na"	22.989218
"318268"	251.100047	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H+Na"	23.996494
"708027"	370.650947	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H+Na"	23.996494
"1464151"	131.549147	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+Na"	23.996494
"1053266"	88.03519	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2H+Na"	25.00377
"1257738"	272.135286	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+CH3OH+H"	33.033486
"377326"	517.166758	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+K"	38.963158
"739377"	756.268558	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+K"	38.963158
"1543617"	278.064958	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K"	38.963158
"304079"	259.087017	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+H+K"	39.970434
"698685"	378.637917	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+H+K"	39.970434
"1450320"	139.536117	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+K"	39.970434
"241106"	520.237426	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+H"	42.033826
"1213454"	281.135626	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+ACN+H"	42.033826
"1207549"	141.071451	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+ACN+2H"	43.041102
"198232"	523.17476	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2Na-H"	44.97116
"642168"	762.27656	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2Na-H"	44.97116
"1142392"	284.07296	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2Na-H"	44.97116
"187754"	262.091018	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2Na"	45.978436
"620870"	381.641918	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2Na"	45.978436
"1122191"	142.540118	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2Na"	45.978436
"1408993"	95.362504	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+2Na"	46.985712
"1443297"	286.114546	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+HCOOH"	47.012746
"232992"	267.12404	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+3H2O+2H"	56.04448
"1522875"	300.16659	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+H"	61.06479
"420739"	270.077988	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+Na+K"	61.952376
"779548"	389.628888	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+Na+K"	61.952376
"1674785"	150.527088	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na+K"	61.952376
"260211"	542.219368	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+ACN+Na"	64.015768
"1232923"	303.117568	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+ACN+Na"	64.015768
"1723993"	303.141093	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+NH4+HCOOH"	64.039293
"1188254"	102.689818	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+3Na"	68.967654
"1664343"	308.096488	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na+HCOOH"	68.994688
"167196"	555.12264	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2K-H"	76.91904
"605666"	794.22444	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2K-H"	76.91904
"1095644"	316.02084	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2K-H"	76.91904
"151368"	278.064958	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"2M+2K"	77.926316
"587650"	397.615858	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"3M+2K"	77.926316
"1077629"	158.514058	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2K"	77.926316
"1104278"	318.035392	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2K+H"	78.933592
"1338474"	318.123007	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+DMSO+H"	79.021207
"1009190"	322.162176	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+H"	83.060376
"1528419"	323.155808	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+IsoProp+Na+H"	84.054008
"992681"	161.584726	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+2ACN+2H"	84.067652
"1588640"	324.070428	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K+HCOOH"	84.968628
"1419405"	354.101938	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+H+CF3COOH"	115.000138
"1150060"	182.098001	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+3ACN+2H"	125.094202
"1701436"	371.128485	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+NH4+CF3COOH"	132.026685
"1637087"	376.08388	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+Na+CF3COOH"	136.98208
"1584768"	392.05782	"C20263"	"L-threo-78-Dihydrobiopterin"	"C9H13N5O3"	"239.1018"	"M+K+CF3COOH"	152.95602
"811853"	241.1175	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M"	0
"982105"	222.09911	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H2O-H"	-19.01839
"74722"	159.737724	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-3H"	-3.021828
"514282"	240.110224	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-3H"	-3.021828
"889898"	79.365224	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-3H"	-3.021828
"166"	240.110224	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H"	-2.014552
"448036"	360.668974	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H"	-2.014552
"829119"	119.551474	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H"	-2.014552
"91298"	481.227724	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-H"	-1.007276
"528671"	722.345224	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-H"	-1.007276
"906475"	240.110224	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H"	-1.007276
"61702"	498.254271	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H+NH4"	16.019271
"501263"	739.371771	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H+NH4"	16.019271
"870559"	257.136771	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H+NH4"	16.019271
"41740"	503.209666	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H+Na"	20.974666
"485555"	744.327166	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H+Na"	20.974666
"860197"	262.092166	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H+Na"	20.974666
"1630824"	262.092166	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na-2H"	20.974666
"101886"	258.098563	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-H+Cl"	33.962126
"539259"	378.657313	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-H+Cl"	33.962126
"933867"	137.539813	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+Cl"	33.962126
"277891"	517.204402	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Cl"	34.969402
"664843"	758.321902	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+Cl"	34.969402
"1278340"	276.086902	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl"	34.969402
"29643"	519.183606	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M-2H+K"	36.948606
"463744"	760.301106	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M-2H+K"	36.948606
"839358"	278.066106	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-2H+K"	36.948606
"1561752"	278.066106	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K-2H"	36.948606
"951830"	286.115694	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+HCOOH"	44.998194
"370050"	527.233201	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+HCOOH-H"	44.998201
"351747"	541.248851	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Hac-H"	59.013851
"1494745"	300.131351	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Hac-H"	59.013851
"963015"	308.097651	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+NaCOOH"	66.980151
"113380"	276.086902	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2Cl"	69.938804
"554402"	396.645652	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2Cl"	69.938804
"1027575"	155.528152	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2Cl"	69.938804
"1254453"	320.036385	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Br"	78.918885
"1314716"	322.092372	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl+HCOOH"	80.974872
"1331118"	344.074329	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl+NaCOOH"	102.956829
"922537"	354.103086	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M-H+CF3COOH"	112.985586
"1295964"	390.079764	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Cl+CF3COOH"	148.962264
"1376312"	206.104824	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H-2H2O"	-35.012676
"1384330"	224.1148	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H-H2O"	-17.0027
"284746"	483.242276	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H"	1.007276
"676434"	724.359776	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H"	1.007276
"1353883"	242.124776	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H"	1.007276
"135156"	242.124776	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2H"	2.014552
"571437"	362.683526	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2H"	2.014552
"1040598"	121.566026	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2H"	2.014552
"206676"	161.752276	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+3H"	3.021828
"645504"	242.124776	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+3H"	3.021828
"1164358"	81.379776	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+3H"	3.021828
"429102"	500.268823	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+NH4"	18.033823
"788272"	741.386323	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+NH4"	18.033823
"1683507"	259.151323	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+NH4"	18.033823
"331053"	250.6380495	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H+NH4"	19.041099
"725299"	371.1967995	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H+NH4"	19.041099
"1478755"	130.0792995	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+NH4"	19.041099
"394512"	505.224218	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Na"	22.989218
"756964"	746.341718	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+Na"	22.989218
"1606156"	264.106718	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na"	22.989218
"317286"	253.115747	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H+Na"	23.996494
"708015"	373.674497	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H+Na"	23.996494
"1463166"	132.556997	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+Na"	23.996494
"1053130"	88.70709	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2H+Na"	25.00377
"1257484"	274.150986	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+CH3OH+H"	33.033486
"377395"	521.198158	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+K"	38.963158
"738636"	762.315658	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+K"	38.963158
"1544094"	280.080658	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K"	38.963158
"304189"	261.102717	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+H+K"	39.970434
"697702"	381.661467	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+H+K"	39.970434
"1450430"	140.543967	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+K"	39.970434
"240123"	524.268826	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+ACN+H"	42.033826
"1216115"	283.151326	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+ACN+H"	42.033826
"1206566"	142.079301	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+ACN+2H"	43.041102
"198342"	527.20616	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2Na-H"	44.97116
"642764"	768.32366	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2Na-H"	44.97116
"1142502"	286.08866	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2Na-H"	44.97116
"187618"	264.106718	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2Na"	45.978436
"625355"	384.665468	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2Na"	45.978436
"1126672"	143.547968	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2Na"	45.978436
"1406917"	96.034404	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+2Na"	46.985712
"1443407"	288.130246	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+HCOOH"	47.012746
"235171"	269.13974	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+3H2O+2H"	56.04448
"1523111"	302.18229	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+IsoProp+H"	61.06479
"423283"	272.093688	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+Na+K"	61.952376
"778565"	392.652438	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+Na+K"	61.952376
"1674896"	151.534938	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na+K"	61.952376
"260321"	546.250768	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+ACN+Na"	64.015768
"1234125"	305.133268	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+ACN+Na"	64.015768
"1724103"	305.156793	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+NH4+HCOOH"	64.039293
"1189458"	103.361718	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+3Na"	68.967654
"1662996"	310.112188	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na+HCOOH"	68.994688
"168400"	559.15404	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2K-H"	76.91904
"606869"	800.27154	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2K-H"	76.91904
"1096727"	318.03654	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2K-H"	76.91904
"153664"	280.080658	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"2M+2K"	77.926316
"588853"	400.639408	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"3M+2K"	77.926316
"1078832"	159.521908	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2K"	77.926316
"1103294"	320.051092	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2K+H"	78.933592
"1336395"	320.138707	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+DMSO+H"	79.021207
"1007114"	324.177876	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2ACN+H"	83.060376
"1527436"	325.171508	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+IsoProp+Na+H"	84.054008
"992791"	162.592576	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+2ACN+2H"	84.067652
"1591666"	326.086128	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K+HCOOH"	84.968628
"1418421"	356.117638	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+H+CF3COOH"	115.000138
"1149807"	183.105851	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+3ACN+2H"	125.094202
"1703734"	373.144185	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+NH4+CF3COOH"	132.026685
"1636104"	378.09958	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+Na+CF3COOH"	136.98208
"1584878"	394.07352	"C20264"	"L-threo-Tetrahydrobiopterin"	"C9H15N5O3"	"241.1175"	"M+K+CF3COOH"	152.95602
"805402"	349.2266	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M"	0
"988656"	330.20821	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-H2O-H"	-19.01839
"71552"	231.810457333333	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M-3H"	-3.021828
"512206"	348.219324	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M-3H"	-3.021828
"890007"	115.401590666667	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-3H"	-3.021828
"8586"	348.219324	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M-2H"	-2.014552
"454710"	522.832624	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M-2H"	-2.014552
"829231"	173.606024	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-2H"	-2.014552
"88128"	697.445924	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M-H"	-1.007276
"530969"	1046.672524	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M-H"	-1.007276
"906585"	348.219324	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-H"	-1.007276
"62139"	714.472471	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M-2H+NH4"	16.019271
"499429"	1063.699071	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M-2H+NH4"	16.019271
"873949"	365.245871	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-2H+NH4"	16.019271
"44523"	719.427866	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M-2H+Na"	20.974666
"479224"	1068.654466	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M-2H+Na"	20.974666
"860306"	370.201266	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-2H+Na"	20.974666
"1630932"	370.201266	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Na-2H"	20.974666
"98712"	366.207663	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M-H+Cl"	33.962126
"538272"	540.820963	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M-H+Cl"	33.962126
"931061"	191.594363	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-H+Cl"	33.962126
"270346"	733.422602	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+Cl"	34.969402
"664956"	1082.649202	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+Cl"	34.969402
"1276989"	384.196002	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Cl"	34.969402
"28670"	735.401806	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M-2H+K"	36.948606
"463856"	1084.628406	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M-2H+K"	36.948606
"846032"	386.175206	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-2H+K"	36.948606
"1559684"	386.175206	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+K-2H"	36.948606
"947568"	394.224794	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-H+HCOOH"	44.998194
"365784"	743.451401	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+HCOOH-H"	44.998201
"348576"	757.467051	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+Hac-H"	59.013851
"1496318"	408.240451	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Hac-H"	59.013851
"964953"	416.206751	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-H+NaCOOH"	66.980151
"121516"	384.196002	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+2Cl"	69.938804
"563264"	558.809302	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+2Cl"	69.938804
"1032437"	209.582702	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2Cl"	69.938804
"1248371"	428.145485	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Br"	78.918885
"1315190"	430.201472	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Cl+HCOOH"	80.974872
"1332320"	452.183429	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Cl+NaCOOH"	102.956829
"920462"	462.212186	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M-H+CF3COOH"	112.985586
"1298992"	498.188864	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Cl+CF3COOH"	148.962264
"1375330"	314.213924	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H-2H2O"	-35.012676
"1386993"	332.2239	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H-H2O"	-17.0027
"284126"	699.460476	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+H"	1.007276
"682749"	1048.687076	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+H"	1.007276
"1359100"	350.233876	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H"	1.007276
"133081"	350.233876	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+2H"	2.014552
"571548"	524.847176	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+2H"	2.014552
"1038523"	175.620576	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2H"	2.014552
"205814"	233.825009333333	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+3H"	3.021828
"645377"	350.233876	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+3H"	3.021828
"1174689"	117.416142666667	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+3H"	3.021828
"433587"	716.487023	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+NH4"	18.033823
"796768"	1065.713623	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+NH4"	18.033823
"1687631"	367.260423	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+NH4"	18.033823
"338096"	358.7471495	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+H+NH4"	19.041099
"724681"	533.3604495	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+H+NH4"	19.041099
"1478137"	184.1338495	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H+NH4"	19.041099
"393658"	721.442418	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+Na"	22.989218
"755620"	1070.669018	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+Na"	22.989218
"1605175"	372.215818	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Na"	22.989218
"315581"	361.224847	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+H+Na"	23.996494
"708002"	535.838147	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+H+Na"	23.996494
"1461386"	186.611547	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H+Na"	23.996494
"1054337"	124.743456666667	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2H+Na"	25.00377
"1257593"	382.260086	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+CH3OH+H"	33.033486
"377873"	737.416358	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+K"	38.963158
"741784"	1086.642958	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+K"	38.963158
"1542021"	388.189758	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+K"	38.963158
"298910"	369.211817	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+H+K"	39.970434
"694535"	543.825117	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+H+K"	39.970434
"1448353"	194.598517	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H+K"	39.970434
"242427"	740.487026	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+ACN+H"	42.033826
"1225231"	391.260426	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+ACN+H"	42.033826
"1207411"	196.133851	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+ACN+2H"	43.041102
"200645"	743.42436	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+2Na-H"	44.97116
"642388"	1092.65096	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+2Na-H"	44.97116
"1145773"	394.19776	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2Na-H"	44.97116
"179343"	372.215818	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+2Na"	45.978436
"623277"	546.829118	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+2Na"	45.978436
"1128245"	197.602518	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2Na"	45.978436
"1405936"	132.070770666667	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H+2Na"	46.985712
"1438051"	396.239346	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H+HCOOH"	47.012746
"232119"	377.24884	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+3H2O+2H"	56.04448
"1522859"	410.29139	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+IsoProp+H"	61.06479
"416587"	380.202788	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+Na+K"	61.952376
"781954"	554.816088	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+Na+K"	61.952376
"1672819"	205.589488	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Na+K"	61.952376
"264083"	762.468968	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+ACN+Na"	64.015768
"1236424"	413.242368	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+ACN+Na"	64.015768
"1724580"	413.265893	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+NH4+HCOOH"	64.039293
"1189568"	139.398084666667	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+3Na"	68.967654
"1662013"	418.221288	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Na+HCOOH"	68.994688
"167055"	775.37224	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+2K-H"	76.91904
"606251"	1124.59884	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+2K-H"	76.91904
"1095867"	426.14564	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2K-H"	76.91904
"147213"	388.189758	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"2M+2K"	77.926316
"586773"	562.803058	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"3M+2K"	77.926316
"1069585"	213.576458	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2K"	77.926316
"1101579"	428.160192	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2K+H"	78.933592
"1336059"	428.247807	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+DMSO+H"	79.021207
"1010517"	432.286976	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2ACN+H"	83.060376
"1529734"	433.280608	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+IsoProp+Na+H"	84.054008
"990714"	216.647126	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+2ACN+2H"	84.067652
"1588497"	434.195228	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+K+HCOOH"	84.968628
"1421818"	464.226738	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+H+CF3COOH"	115.000138
"1149919"	237.160401	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+3ACN+2H"	125.094202
"1702752"	481.253285	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+NH4+CF3COOH"	132.026685
"1635122"	486.20868	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+Na+CF3COOH"	136.98208
"1581709"	502.18262	"C20266"	"AMD 070"	"C21H27N5"	"349.2266"	"M+K+CF3COOH"	152.95602
"816449"	138.0905	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M"	0
"987796"	119.07211	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-H2O-H"	-19.01839
"71663"	91.0530573333333	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M-3H"	-3.021828
"510129"	137.083224	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M-3H"	-3.021828
"890117"	45.0228906666667	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-3H"	-3.021828
"6512"	137.083224	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M-2H"	-2.014552
"451538"	206.128474	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M-2H"	-2.014552
"830436"	68.037974	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-2H"	-2.014552
"93713"	275.173724	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M-H"	-1.007276
"532909"	413.264224	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M-H"	-1.007276
"909859"	137.083224	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-H"	-1.007276
"57792"	292.200271	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M-2H+NH4"	16.019271
"496260"	430.290771	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M-2H+NH4"	16.019271
"874061"	154.109771	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-2H+NH4"	16.019271
"45242"	297.155666	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M-2H+Na"	20.974666
"477511"	435.246166	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M-2H+Na"	20.974666
"854585"	159.065166	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-2H+Na"	20.974666
"1627763"	159.065166	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Na-2H"	20.974666
"98093"	155.071563	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M-H+Cl"	33.962126
"541662"	224.116813	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M-H+Cl"	33.962126
"930075"	86.026313	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-H+Cl"	33.962126
"269360"	311.150402	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+Cl"	34.969402
"665066"	449.240902	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+Cl"	34.969402
"1276735"	173.059902	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Cl"	34.969402
"28780"	313.129606	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M-2H+K"	36.948606
"463966"	451.220106	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M-2H+K"	36.948606
"847234"	175.039106	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-2H+K"	36.948606
"1559791"	175.039106	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+K-2H"	36.948606
"948773"	183.088694	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-H+HCOOH"	44.998194
"363342"	321.179201	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+HCOOH-H"	44.998201
"348687"	335.194851	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+Hac-H"	59.013851
"1497521"	197.104351	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Hac-H"	59.013851
"960687"	205.070651	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-H+NaCOOH"	66.980151
"121626"	173.059902	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+2Cl"	69.938804
"563374"	242.105152	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+2Cl"	69.938804
"1032911"	104.014652	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2Cl"	69.938804
"1253945"	217.009385	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Br"	78.918885
"1314207"	219.065372	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Cl+HCOOH"	80.974872
"1331700"	241.047329	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Cl+NaCOOH"	102.956829
"922759"	251.076086	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M-H+CF3COOH"	112.985586
"1299467"	287.052764	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Cl+CF3COOH"	148.962264
"1376533"	103.077824	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H-2H2O"	-35.012676
"1387103"	121.0878	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H-H2O"	-17.0027
"284596"	277.188276	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+H"	1.007276
"683952"	415.278776	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+H"	1.007276
"1360303"	139.097776	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H"	1.007276
"134284"	139.097776	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+2H"	2.014552
"572751"	208.143026	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+2H"	2.014552
"1038997"	70.052526	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2H"	2.014552
"206896"	93.0676093333333	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+3H"	3.021828
"646094"	139.097776	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+3H"	3.021828
"1171520"	47.0374426666667	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+3H"	3.021828
"432604"	294.214823	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+NH4"	18.033823
"795785"	432.305323	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+NH4"	18.033823
"1686647"	156.124323	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+NH4"	18.033823
"333832"	147.6110495	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+H+NH4"	19.041099
"724791"	216.6562995	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+H+NH4"	19.041099
"1478971"	78.5657995	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H+NH4"	19.041099
"394376"	299.170218	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+Na"	22.989218
"756820"	437.260718	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+Na"	22.989218
"1603342"	161.079718	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Na"	22.989218
"316052"	150.088747	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+H+Na"	23.996494
"710659"	219.133997	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+H+Na"	23.996494
"1463385"	81.043497	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H+Na"	23.996494
"1055176"	54.3647566666667	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2H+Na"	25.00377
"1257707"	171.123986	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+CH3OH+H"	33.033486
"379805"	315.144158	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+K"	38.963158
"742256"	453.234658	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+K"	38.963158
"1540672"	177.053658	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+K"	38.963158
"298852"	158.075717	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+H+K"	39.970434
"694645"	227.120967	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+H+K"	39.970434
"1449556"	89.030467	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H+K"	39.970434
"240351"	318.214826	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+ACN+H"	42.033826
"1223517"	180.124326	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+ACN+H"	42.033826
"1206427"	90.565801	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+ACN+2H"	43.041102
"199661"	321.15216	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+2Na-H"	44.97116
"641042"	459.24266	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+2Na-H"	44.97116
"1142725"	183.06166	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2Na-H"	44.97116
"184921"	161.079718	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+2Na"	45.978436
"623387"	230.124968	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+2Na"	45.978436
"1122524"	92.034468	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2Na"	45.978436
"1404951"	61.6920706666667	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H+2Na"	46.985712
"1435245"	185.103246	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H+HCOOH"	47.012746
"230042"	166.11274	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+3H2O+2H"	56.04448
"1523089"	199.15529	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+IsoProp+H"	61.06479
"414144"	169.066688	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+Na+K"	61.952376
"782065"	238.111938	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+Na+K"	61.952376
"1675114"	100.021438	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Na+K"	61.952376
"259814"	340.196768	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+ACN+Na"	64.015768
"1236534"	202.106268	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+ACN+Na"	64.015768
"1725054"	202.129793	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+NH4+HCOOH"	64.039293
"1191864"	69.0193846666667	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+3Na"	68.967654
"1659571"	207.085188	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Na+HCOOH"	68.994688
"167895"	353.10004	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+2K-H"	76.91904
"608911"	491.19054	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+2K-H"	76.91904
"1094883"	215.00954	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2K-H"	76.91904
"146228"	177.053658	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"2M+2K"	77.926316
"586882"	246.098908	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"3M+2K"	77.926316
"1070303"	108.008408	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2K"	77.926316
"1102419"	217.024092	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2K+H"	78.933592
"1335843"	217.111707	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+DMSO+H"	79.021207
"1010627"	221.150876	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2ACN+H"	83.060376
"1528751"	222.144508	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+IsoProp+Na+H"	84.054008
"990824"	111.079076	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+2ACN+2H"	84.067652
"1587877"	223.059128	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+K+HCOOH"	84.968628
"1417552"	253.090638	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+H+CF3COOH"	115.000138
"1150029"	131.592351	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+3ACN+2H"	125.094202
"1697510"	270.117185	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+NH4+CF3COOH"	132.026685
"1635232"	275.07258	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+Na+CF3COOH"	136.98208
"1581819"	291.04652	"C20267"	"4-Amino-5-aminomethyl-2-methylpyrimidine"	"C6H10N4"	"138.0905"	"M+K+CF3COOH"	152.95602
"815466"	316.1311	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M"	0
"985717"	297.11271	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-H2O-H"	-19.01839
"71773"	209.746790666667	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M-3H"	-3.021828
"509146"	315.123824	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M-3H"	-3.021828
"890227"	104.369757333333	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-3H"	-3.021828
"6622"	315.123824	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M-2H"	-2.014552
"450555"	473.189374	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M-2H"	-2.014552
"822889"	157.058274	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-2H"	-2.014552
"92603"	631.254924	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M-H"	-1.007276
"525722"	947.386024	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M-H"	-1.007276
"906806"	315.123824	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-H"	-1.007276
"61789"	648.281471	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M-2H+NH4"	16.019271
"496370"	964.412571	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M-2H+NH4"	16.019271
"874171"	332.150371	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-2H+NH4"	16.019271
"44988"	653.236866	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M-2H+Na"	20.974666
"476528"	969.367966	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M-2H+Na"	20.974666
"855788"	337.105766	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-2H+Na"	20.974666
"1627873"	337.105766	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Na-2H"	20.974666
"98203"	333.112163	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M-H+Cl"	33.962126
"537398"	491.177713	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M-H+Cl"	33.962126
"929822"	175.046613	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-H+Cl"	33.962126
"269470"	667.231602	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+Cl"	34.969402
"665176"	983.362702	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+Cl"	34.969402
"1275752"	351.100502	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Cl"	34.969402
"23423"	669.210806	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M-2H+K"	36.948606
"461889"	985.341906	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M-2H+K"	36.948606
"844064"	353.079706	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-2H+K"	36.948606
"1560994"	353.079706	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+K-2H"	36.948606
"945601"	361.129294	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-H+HCOOH"	44.998194
"367096"	677.260401	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+HCOOH-H"	44.998201
"346974"	691.276051	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+Hac-H"	59.013851
"1497995"	375.144951	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Hac-H"	59.013851
"961161"	383.111251	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-H+NaCOOH"	66.980151
"119549"	351.100502	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+2Cl"	69.938804
"564577"	509.166052	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+2Cl"	69.938804
"1030106"	193.034952	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2Cl"	69.938804
"1254785"	395.049985	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Br"	78.918885
"1315410"	397.105972	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Cl+HCOOH"	80.974872
"1330717"	419.087929	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Cl+NaCOOH"	102.956829
"921774"	429.116686	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M-H+CF3COOH"	112.985586
"1290827"	465.093364	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Cl+CF3COOH"	148.962264
"1367283"	281.118424	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H-2H2O"	-35.012676
"1383928"	299.1284	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H-H2O"	-17.0027
"283732"	633.269476	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+H"	1.007276
"684062"	949.400576	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+H"	1.007276
"1359319"	317.138376	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H"	1.007276
"134394"	317.138376	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+2H"	2.014552
"572861"	475.203926	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+2H"	2.014552
"1038985"	159.072826	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2H"	2.014552
"205426"	211.761342666667	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+3H"	3.021828
"646204"	317.138376	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+3H"	3.021828
"1171629"	106.384309333333	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+3H"	3.021828
"433807"	650.296023	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+NH4"	18.033823
"797717"	966.427123	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+NH4"	18.033823
"1686757"	334.164923	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+NH4"	18.033823
"336128"	325.6516495	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+H+NH4"	19.041099
"725631"	483.7171995	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+H+NH4"	19.041099
"1479082"	167.5860995	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H+NH4"	19.041099
"395579"	655.251418	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+Na"	22.989218
"755476"	971.382518	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+Na"	22.989218
"1603332"	339.120318	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Na"	22.989218
"317257"	328.129347	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+H+Na"	23.996494
"709677"	486.194897	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+H+Na"	23.996494
"1463860"	170.063797	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H+Na"	23.996494
"1055649"	113.711623333333	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2H+Na"	25.00377
"1258182"	349.164586	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+CH3OH+H"	33.033486
"382101"	671.225358	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+K"	38.963158
"743095"	987.356458	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+K"	38.963158
"1545148"	355.094258	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+K"	38.963158
"298925"	336.116317	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+H+K"	39.970434
"693662"	494.181867	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+H+K"	39.970434
"1449666"	178.050767	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H+K"	39.970434
"241554"	674.296026	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+ACN+H"	42.033826
"1222655"	358.164926	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+ACN+H"	42.033826
"1206173"	179.586101	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+ACN+2H"	43.041102
"199771"	677.23336	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+2Na-H"	44.97116
"642366"	993.36446	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+2Na-H"	44.97116
"1142835"	361.10226	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2Na-H"	44.97116
"185031"	339.120318	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+2Na"	45.978436
"622403"	497.185868	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+2Na"	45.978436
"1123727"	181.054768	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2Na"	45.978436
"1405061"	121.038937333333	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H+2Na"	46.985712
"1435355"	363.143846	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H+HCOOH"	47.012746
"227965"	344.15334	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+3H2O+2H"	56.04448
"1521494"	377.19589	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+IsoProp+H"	61.06479
"416806"	347.107288	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+Na+K"	61.952376
"779988"	505.172838	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+Na+K"	61.952376
"1675224"	189.041738	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Na+K"	61.952376
"259560"	696.277968	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+ACN+Na"	64.015768
"1237737"	380.146868	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+ACN+Na"	64.015768
"1724435"	380.170393	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+NH4+HCOOH"	64.039293
"1192703"	128.366251333333	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+3Na"	68.967654
"1660774"	385.125788	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Na+HCOOH"	68.994688
"169097"	709.18124	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+2K-H"	76.91904
"608292"	1025.31234	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+2K-H"	76.91904
"1096087"	393.05014	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2K-H"	76.91904
"145246"	355.094258	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"2M+2K"	77.926316
"584806"	513.159808	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"3M+2K"	77.926316
"1073694"	197.028708	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2K"	77.926316
"1103622"	395.064692	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2K+H"	78.933592
"1337820"	395.152307	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+DMSO+H"	79.021207
"1010737"	399.191476	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2ACN+H"	83.060376
"1528861"	400.185108	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+IsoProp+Na+H"	84.054008
"991419"	200.099376	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+2ACN+2H"	84.067652
"1589810"	401.099728	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+K+HCOOH"	84.968628
"1416569"	431.131238	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+H+CF3COOH"	115.000138
"1150139"	220.612651	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+3ACN+2H"	125.094202
"1697379"	448.157785	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+NH4+CF3COOH"	132.026685
"1634491"	453.11318	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+Na+CF3COOH"	136.98208
"1581929"	469.08712	"C20268"	"Combretastatin A-4;Combretastatin A4"	"C18H20O5"	"316.1311"	"M+K+CF3COOH"	152.95602
"816305"	162.0681	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M"	0
"985827"	143.04971	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-H2O-H"	-19.01839
"71883"	107.038124	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M-3H"	-3.021828
"509256"	161.060824	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M-3H"	-3.021828
"890337"	53.015424	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-3H"	-3.021828
"6732"	161.060824	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M-2H"	-2.014552
"449572"	242.094874	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M-2H"	-2.014552
"824092"	80.026774	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-2H"	-2.014552
"86273"	323.128924	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M-H"	-1.007276
"525832"	485.197024	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M-H"	-1.007276
"903635"	161.060824	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-H"	-1.007276
"55823"	340.155471	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M-2H+NH4"	16.019271
"493199"	502.223571	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M-2H+NH4"	16.019271
"871001"	178.087371	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-2H+NH4"	16.019271
"36714"	345.110866	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M-2H+Na"	20.974666
"476638"	507.178966	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M-2H+Na"	20.974666
"854805"	183.042766	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-2H+Na"	20.974666
"1625066"	183.042766	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Na-2H"	20.974666
"101230"	179.049163	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M-H+Cl"	33.962126
"536415"	260.083213	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M-H+Cl"	33.962126
"929202"	98.015113	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-H+Cl"	33.962126
"269091"	359.105602	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+Cl"	34.969402
"663097"	521.173702	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+Cl"	34.969402
"1275133"	197.037502	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Cl"	34.969402
"25720"	361.084806	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M-2H+K"	36.948606
"461999"	523.152906	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M-2H+K"	36.948606
"841987"	199.016706	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-2H+K"	36.948606
"1560010"	199.016706	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+K-2H"	36.948606
"947893"	207.066294	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-H+HCOOH"	44.998194
"365384"	369.134401	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+HCOOH-H"	44.998201
"353284"	383.150051	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+Hac-H"	59.013851
"1501022"	221.081951	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Hac-H"	59.013851
"963459"	229.048251	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-H+NaCOOH"	66.980151
"120753"	197.037502	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+2Cl"	69.938804
"557032"	278.071552	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+2Cl"	69.938804
"1032400"	116.003452	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2Cl"	69.938804
"1254892"	240.986985	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Br"	78.918885
"1315519"	243.042972	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Cl+HCOOH"	80.974872
"1328640"	265.024929	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Cl+NaCOOH"	102.956829
"917512"	275.053686	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M-H+CF3COOH"	112.985586
"1295313"	311.030364	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Cl+CF3COOH"	148.962264
"1371649"	127.055424	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H-2H2O"	-35.012676
"1383428"	145.0654	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H-H2O"	-17.0027
"283076"	325.143476	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+H"	1.007276
"683079"	487.211576	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+H"	1.007276
"1354326"	163.075376	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H"	1.007276
"127213"	163.075376	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+2H"	2.014552
"567503"	244.109426	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+2H"	2.014552
"1037762"	82.041326	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2H"	2.014552
"204807"	109.052676	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+3H"	3.021828
"646314"	163.075376	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+3H"	3.021828
"1169551"	55.029976	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+3H"	3.021828
"432823"	342.170023	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+NH4"	18.033823
"792724"	504.238123	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+NH4"	18.033823
"1684680"	180.101923	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+NH4"	18.033823
"332225"	171.5886495	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+H+NH4"	19.041099
"725738"	252.6226995	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+H+NH4"	19.041099
"1477607"	90.5545995	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H+NH4"	19.041099
"393374"	347.125418	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+Na"	22.989218
"754855"	509.193518	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+Na"	22.989218
"1603315"	185.057318	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Na"	22.989218
"314933"	174.066347	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+H+Na"	23.996494
"709052"	255.100397	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+H+Na"	23.996494
"1462631"	93.032297	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H+Na"	23.996494
"1053567"	62.35729	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2H+Na"	25.00377
"1257315"	195.101586	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+CH3OH+H"	33.033486
"378566"	363.099358	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+K"	38.963158
"739924"	525.167458	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+K"	38.963158
"1541005"	201.031258	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+K"	38.963158
"298785"	182.053317	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+H+K"	39.970434
"694863"	263.087367	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+H+K"	39.970434
"1447224"	101.019267	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H+K"	39.970434
"239478"	366.170026	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+ACN+H"	42.033826
"1223129"	204.101926	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+ACN+H"	42.033826
"1207011"	102.554601	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+ACN+2H"	43.041102
"200973"	369.10736	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+2Na-H"	44.97116
"642718"	531.17546	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+2Na-H"	44.97116
"1145741"	207.03926	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2Na-H"	44.97116
"185141"	185.057318	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+2Na"	45.978436
"623607"	266.091368	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+2Na"	45.978436
"1123837"	104.023268	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2Na"	45.978436
"1405171"	69.684604	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H+2Na"	46.985712
"1433278"	209.080846	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H+HCOOH"	47.012746
"228074"	190.09034	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+3H2O+2H"	56.04448
"1521604"	223.13289	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+IsoProp+H"	61.06479
"413636"	193.044288	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+Na+K"	61.952376
"777910"	274.078338	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+Na+K"	61.952376
"1673513"	112.010238	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Na+K"	61.952376
"257484"	388.151968	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+ACN+Na"	64.015768
"1234567"	226.083868	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+ACN+Na"	64.015768
"1723451"	226.107393	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+NH4+HCOOH"	64.039293
"1191721"	77.011918	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+3Na"	68.967654
"1661977"	231.062788	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Na+HCOOH"	68.994688
"168477"	401.05524	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+2K-H"	76.91904
"608766"	563.12334	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+2K-H"	76.91904
"1093645"	238.98714	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2K-H"	76.91904
"145357"	201.031258	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"2M+2K"	77.926316
"583823"	282.065308	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"3M+2K"	77.926316
"1071618"	119.997208	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2K"	77.926316
"1101667"	241.001692	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2K+H"	78.933592
"1336591"	241.089307	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+DMSO+H"	79.021207
"1010847"	245.128476	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2ACN+H"	83.060376
"1531157"	246.122108	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+IsoProp+Na+H"	84.054008
"992137"	123.067876	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+2ACN+2H"	84.067652
"1591013"	247.036728	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+K+HCOOH"	84.968628
"1416680"	277.068238	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+H+CF3COOH"	115.000138
"1150249"	143.581151	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+3ACN+2H"	125.094202
"1697245"	294.094785	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+NH4+CF3COOH"	132.026685
"1634359"	299.05018	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+Na+CF3COOH"	136.98208
"1582039"	315.02412	"C20269"	"Eugenol quinone methide"	"C10H10O2"	"162.0681"	"M+K+CF3COOH"	152.95602
"817015"	468.2042	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M"	0
"985937"	449.18581	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-H2O-H"	-19.01839
"71993"	311.128857333333	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M-3H"	-3.021828
"509366"	467.196924	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M-3H"	-3.021828
"887167"	155.060790666667	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-3H"	-3.021828
"4655"	467.196924	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M-2H"	-2.014552
"446401"	701.299024	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M-2H"	-2.014552
"820922"	233.094824	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-2H"	-2.014552
"86383"	935.401124	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M-H"	-1.007276
"525942"	1403.605324	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M-H"	-1.007276
"901192"	467.196924	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-H"	-1.007276
"59215"	952.427671	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M-2H+NH4"	16.019271
"493309"	1420.631871	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M-2H+NH4"	16.019271
"871111"	484.223471	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-2H+NH4"	16.019271
"37188"	957.383066	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M-2H+Na"	20.974666
"476750"	1425.587266	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M-2H+Na"	20.974666
"857467"	489.178866	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-2H+Na"	20.974666
"1625907"	489.178866	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Na-2H"	20.974666
"102435"	485.185263	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M-H+Cl"	33.962126
"540899"	719.287363	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M-H+Cl"	33.962126
"931500"	251.083163	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-H+Cl"	33.962126
"269691"	971.377802	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+Cl"	34.969402
"663207"	1439.582002	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+Cl"	34.969402
"1274879"	503.173602	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Cl"	34.969402
"28017"	973.357006	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M-2H+K"	36.948606
"464296"	1441.561206	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M-2H+K"	36.948606
"842097"	505.152806	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-2H+K"	36.948606
"1561214"	505.152806	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+K-2H"	36.948606
"948003"	513.202394	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-H+HCOOH"	44.998194
"367310"	981.406601	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+HCOOH-H"	44.998201
"351205"	995.422251	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+Hac-H"	59.013851
"1500038"	527.218051	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Hac-H"	59.013851
"962474"	535.184351	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-H+NaCOOH"	66.980151
"120863"	503.173602	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+2Cl"	69.938804
"560421"	737.275702	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+2Cl"	69.938804
"1032875"	269.071502	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2Cl"	69.938804
"1249899"	547.123085	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Br"	78.918885
"1313441"	549.179072	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Cl+HCOOH"	80.974872
"1324740"	571.161029	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Cl+NaCOOH"	102.956829
"916526"	581.189786	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M-H+CF3COOH"	112.985586
"1293599"	617.166464	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Cl+CF3COOH"	148.962264
"1372852"	433.191524	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H-2H2O"	-35.012676
"1384874"	451.2015	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H-H2O"	-17.0027
"285048"	937.415676	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+H"	1.007276
"683189"	1405.619876	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+H"	1.007276
"1355165"	469.211476	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H"	1.007276
"126960"	469.211476	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+2H"	2.014552
"569070"	703.313576	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+2H"	2.014552
"1040785"	235.109376	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2H"	2.014552
"208685"	313.143409333333	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+3H"	3.021828
"647520"	469.211476	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+3H"	3.021828
"1168568"	157.075342666667	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+3H"	3.021828
"429652"	954.442223	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+NH4"	18.033823
"793928"	1422.646423	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+NH4"	18.033823
"1684790"	486.238023	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+NH4"	18.033823
"333068"	477.7247495	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+H+NH4"	19.041099
"725848"	711.8268495	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+H+NH4"	19.041099
"1479299"	243.6226495	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H+NH4"	19.041099
"394703"	959.397618	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+Na"	22.989218
"755089"	1427.601818	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+Na"	22.989218
"1604887"	491.193418	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Na"	22.989218
"316017"	480.202447	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+H+Na"	23.996494
"709531"	714.304547	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+H+Na"	23.996494
"1464448"	246.100347	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H+Na"	23.996494
"1055871"	164.402656666667	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2H+Na"	25.00377
"1258156"	501.237686	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+CH3OH+H"	33.033486
"379041"	975.371558	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+K"	38.963158
"740402"	1443.575758	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+K"	38.963158
"1542090"	507.167358	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+K"	38.963158
"300360"	488.189417	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+H+K"	39.970434
"699347"	722.291517	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+H+K"	39.970434
"1449157"	254.087317	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H+K"	39.970434
"239588"	978.442226	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+ACN+H"	42.033826
"1225183"	510.238026	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+ACN+H"	42.033826
"1207118"	255.622651	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+ACN+2H"	43.041102
"199989"	981.37956	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+2Na-H"	44.97116
"644007"	1449.58376	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+2Na-H"	44.97116
"1145246"	513.17536	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2Na-H"	44.97116
"188253"	491.193418	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+2Na"	45.978436
"625906"	725.295518	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+2Na"	45.978436
"1125040"	257.091318	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2Na"	45.978436
"1403094"	171.729970666667	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H+2Na"	46.985712
"1435574"	515.216946	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H+HCOOH"	47.012746
"226363"	496.22644	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+3H2O+2H"	56.04448
"1521714"	529.26899	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+IsoProp+H"	61.06479
"415932"	499.180388	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+Na+K"	61.952376
"780207"	733.282488	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+Na+K"	61.952376
"1674351"	265.078288	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Na+K"	61.952376
"257595"	1000.424168	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+ACN+Na"	64.015768
"1232489"	532.219968	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+ACN+Na"	64.015768
"1725748"	532.243493	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+NH4+HCOOH"	64.039293
"1192924"	179.057284666667	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+3Na"	68.967654
"1663181"	537.198888	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Na+HCOOH"	68.994688
"171505"	1013.32744	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+2K-H"	76.91904
"610335"	1481.53164	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+2K-H"	76.91904
"1095211"	545.12324	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2K-H"	76.91904
"148748"	507.167358	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"2M+2K"	77.926316
"585029"	741.269458	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"3M+2K"	77.926316
"1070755"	273.065258	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2K"	77.926316
"1103843"	547.137792	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2K+H"	78.933592
"1336211"	547.225407	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+DMSO+H"	79.021207
"1015330"	551.264576	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2ACN+H"	83.060376
"1529081"	552.258208	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+IsoProp+Na+H"	84.054008
"994434"	276.135926	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+2ACN+2H"	84.067652
"1593311"	553.172828	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+K+HCOOH"	84.968628
"1418976"	583.204338	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+H+CF3COOH"	115.000138
"1150359"	296.649201	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+3ACN+2H"	125.094202
"1697841"	600.230885	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+NH4+CF3COOH"	132.026685
"1635562"	605.18628	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+Na+CF3COOH"	136.98208
"1582149"	621.16022	"C20270"	"Copal-8-ol diphosphate;(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate"	"C20H38O8P2"	"468.2042"	"M+K+CF3COOH"	152.95602
"812515"	182.0943	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M"	0
"976206"	163.07591	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-H2O-H"	-19.01839
"66636"	120.388924	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M-3H"	-3.021828
"503518"	181.087024	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M-3H"	-3.021828
"881806"	59.690824	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-3H"	-3.021828
"10232"	181.087024	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M-2H"	-2.014552
"446513"	272.134174	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M-2H"	-2.014552
"828689"	90.039874	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-2H"	-2.014552
"91962"	363.181324	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M-H"	-1.007276
"528241"	545.275624	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M-H"	-1.007276
"902763"	181.087024	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-H"	-1.007276
"58233"	380.207871	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M-2H+NH4"	16.019271
"491594"	562.302171	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M-2H+NH4"	16.019271
"869031"	198.113571	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-2H+NH4"	16.019271
"35111"	385.163266	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M-2H+Na"	20.974666
"476859"	567.257566	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M-2H+Na"	20.974666
"850650"	203.068966	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-2H+Na"	20.974666
"1620912"	203.068966	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Na-2H"	20.974666
"101451"	199.075363	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M-H+Cl"	33.962126
"536636"	290.122513	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M-H+Cl"	33.962126
"928451"	108.028213	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-H+Cl"	33.962126
"268341"	399.158002	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+Cl"	34.969402
"661126"	581.252302	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+Cl"	34.969402
"1276812"	217.063702	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Cl"	34.969402
"24843"	401.137206	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M-2H+K"	36.948606
"461122"	583.231506	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M-2H+K"	36.948606
"835643"	219.042906	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-2H+K"	36.948606
"1561325"	219.042906	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+K-2H"	36.948606
"947020"	227.092494	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-H+HCOOH"	44.998194
"367420"	409.186801	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+HCOOH-H"	44.998201
"346325"	423.202451	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+Hac-H"	59.013851
"1493456"	241.108151	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Hac-H"	59.013851
"961490"	249.074451	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-H+NaCOOH"	66.980151
"110012"	217.063702	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+2Cl"	69.938804
"558345"	308.110852	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+2Cl"	69.938804
"1032619"	126.016552	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2Cl"	69.938804
"1250009"	261.013185	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Br"	78.918885
"1313551"	263.069172	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Cl+HCOOH"	80.974872
"1325214"	285.051129	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Cl+NaCOOH"	102.956829
"917002"	295.079886	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M-H+CF3COOH"	112.985586
"1290427"	331.056564	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Cl+CF3COOH"	148.962264
"1370046"	147.081624	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H-2H2O"	-35.012676
"1383650"	165.0916	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H-H2O"	-17.0027
"283336"	365.195876	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+H"	1.007276
"678193"	547.290176	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+H"	1.007276
"1355275"	183.101576	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H"	1.007276
"127434"	183.101576	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+2H"	2.014552
"569909"	274.148726	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+2H"	2.014552
"1041260"	92.054426	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2H"	2.014552
"208795"	122.403476	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+3H"	3.021828
"647266"	183.101576	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+3H"	3.021828
"1168678"	61.705376	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+3H"	3.021828
"426847"	382.222423	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+NH4"	18.033823
"790758"	564.316723	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+NH4"	18.033823
"1683442"	200.128123	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+NH4"	18.033823
"332449"	191.6148495	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+H+NH4"	19.041099
"725594"	282.6619995	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+H+NH4"	19.041099
"1479412"	100.5676995	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H+NH4"	19.041099
"393962"	387.177818	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+Na"	22.989218
"756172"	569.272118	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+Na"	22.989218
"1604148"	205.083518	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Na"	22.989218
"316128"	194.092547	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+H+Na"	23.996494
"708183"	285.139697	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+H+Na"	23.996494
"1463830"	103.045397	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H+Na"	23.996494
"1058898"	69.03269	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2H+Na"	25.00377
"1259116"	215.127786	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+CH3OH+H"	33.033486
"379514"	403.151758	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+K"	38.963158
"739781"	585.246058	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+K"	38.963158
"1541472"	221.057458	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+K"	38.963158
"300470"	202.079517	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+H+K"	39.970434
"693992"	293.126667	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+H+K"	39.970434
"1448538"	111.032367	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H+K"	39.970434
"240791"	406.222426	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+ACN+H"	42.033826
"1224319"	224.128126	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+ACN+H"	42.033826
"1205042"	112.567701	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+ACN+2H"	43.041102
"200099"	409.15976	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+2Na-H"	44.97116
"639658"	591.25406	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+2Na-H"	44.97116
"1134782"	227.06546	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2Na-H"	44.97116
"177705"	205.083518	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+2Na"	45.978436
"622733"	296.130668	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+2Na"	45.978436
"1124057"	114.036368	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2Na"	45.978436
"1401020"	76.360004	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H+2Na"	46.985712
"1432405"	229.107046	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H+HCOOH"	47.012746
"226106"	210.11654	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+3H2O+2H"	56.04448
"1519636"	243.15909	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+IsoProp+H"	61.06479
"414949"	213.070488	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+Na+K"	61.952376
"780317"	304.117638	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+Na+K"	61.952376
"1672275"	122.023338	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Na+K"	61.952376
"258799"	428.204368	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+ACN+Na"	64.015768
"1231506"	246.110068	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+ACN+Na"	64.015768
"1721484"	246.133593	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+NH4+HCOOH"	64.039293
"1190117"	83.687318	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+3Na"	68.967654
"1662200"	251.088988	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Na+HCOOH"	68.994688
"170158"	441.10764	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+2K-H"	76.91904
"609716"	623.20194	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+2K-H"	76.91904
"1094957"	259.01334	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2K-H"	76.91904
"148860"	221.057458	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"2M+2K"	77.926316
"583195"	312.104608	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"3M+2K"	77.926316
"1079129"	130.010308	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2K"	77.926316
"1110154"	261.027892	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2K+H"	78.933592
"1337422"	261.115507	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+DMSO+H"	79.021207
"1014348"	265.154676	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2ACN+H"	83.060376
"1531379"	266.148308	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+IsoProp+Na+H"	84.054008
"996733"	133.080976	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+2ACN+2H"	84.067652
"1594515"	267.062928	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+K+HCOOH"	84.968628
"1416898"	297.094438	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+H+CF3COOH"	115.000138
"1150469"	153.594251	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+3ACN+2H"	125.094202
"1703302"	314.120985	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+NH4+CF3COOH"	132.026685
"1635672"	319.07638	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+Na+CF3COOH"	136.98208
"1582259"	335.05032	"C20271"	"(1R)-223-Trimethyl-5-oxocyclopent-3-enylacetate"	"C10H14O3"	"182.0943"	"M+K+CF3COOH"	152.95602
"809343"	204.1878	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M"	0
"982877"	185.16941	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"68931"	135.117924	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"504483"	203.180524	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"885200"	67.055324	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"8154"	203.180524	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"449904"	305.274424	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"829892"	101.086624	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"90979"	407.368324	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"527258"	611.556124	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"903968"	203.180524	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"52875"	424.394871	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"490611"	628.582671	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"871328"	220.207071	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"35221"	429.350266	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"476605"	633.538066	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"852582"	225.162466	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619683"	225.162466	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"98281"	221.168863	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"537109"	323.262763	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"929166"	119.074963	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"272093"	443.345002	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"663787"	647.532802	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1277650"	239.157202	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"22765"	445.324206	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"460139"	649.512006	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"836848"	241.136406	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1559249"	241.136406	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"949318"	249.185994	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"365345"	453.373801	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"346316"	467.389451	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1494054"	263.201651	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"959046"	271.167951	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"112695"	239.157202	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"549996"	341.251102	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030544"	137.063302	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1250120"	283.106685	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1308558"	285.162672	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1325324"	307.144629	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920028"	317.173386	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1292361"	353.150064	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1368699"	169.175124	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1383028"	187.1851	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"283082"	409.382876	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"677939"	613.570676	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1354655"	205.195076	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"126931"	205.195076	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"567830"	307.288976	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1038455"	103.101176	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"205257"	137.132476	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"645555"	205.195076	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1168787"	69.069876	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"430967"	426.409423	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"788679"	630.597223	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1686104"	222.221623	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"333288"	213.7083495	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"723639"	315.8022495	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1477333"	111.6144495	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"394923"	431.364818	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"755918"	635.552618	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603000"	227.177018	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315632"	216.186047	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708296"	318.279947	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463577"	114.092147	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1054636"	76.39719	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1259594"	237.221286	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377682"	447.338758	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739648"	651.526558	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541583"	243.150958	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299852"	224.173017	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"694099"	326.266917	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1449378"	122.079117	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"240901"	450.409426	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1225485"	246.221626	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1205154"	123.614451	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"200209"	453.34676	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"639768"	657.53456	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1143276"	249.15896	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182192"	227.177018	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"622845"	329.270918	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121980"	125.083118	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1405504"	83.724504	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1433607"	251.200546	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"224032"	232.21004	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1517561"	265.25259	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"415059"	235.163988	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"777148"	337.257888	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669470"	133.070088	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"257815"	472.391368	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1234531"	268.203568	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720500"	268.227093	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1189137"	91.051818	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1661220"	273.182488	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"168446"	485.29464	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"608373"	689.48244	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1093611"	281.10684	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"149337"	243.150958	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"587802"	345.244858	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1073772"	141.057058	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1108804"	283.121392	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1338262"	283.209007	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1015554"	287.248176	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531489"	288.241808	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"996843"	144.127726	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1595718"	289.156428	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417008"	319.187938	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1151672"	164.641001	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1709973"	336.214485	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641250"	341.16988	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582369"	357.14382	"C20272"	"alpha-Muurolene;()-alpha-Muurolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802892"	204.1878	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M"	0
"976426"	185.16941	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64179"	135.117924	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"504229"	203.180524	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"882027"	67.055324	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"9358"	203.180524	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"451108"	305.274424	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"828909"	101.086624	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91819"	407.368324	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"529555"	611.556124	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"902984"	203.180524	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"54078"	424.394871	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"491087"	628.582671	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"873625"	220.207071	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"34234"	429.350266	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"474525"	633.538066	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"852692"	225.162466	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620768"	225.162466	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"98391"	221.168863	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"544510"	323.262763	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930732"	119.074963	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"271841"	443.345002	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"671918"	647.532802	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280311"	239.157202	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"22875"	445.324206	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"460249"	649.512006	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"840238"	241.136406	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1556443"	241.136406	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"945055"	249.185994	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"365453"	453.373801	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"346302"	467.389451	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1492743"	263.201651	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"958521"	271.167951	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"110073"	239.157202	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"550293"	341.251102	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032838"	137.063302	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1250229"	283.106685	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309396"	285.162672	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1323609"	307.144629	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"916127"	317.173386	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1288939"	353.150064	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1368077"	169.175124	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1383260"	187.1851	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"283179"	409.382876	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676956"	613.570676	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1352212"	205.195076	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H"	1.007276
"126677"	205.195076	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"566232"	307.288976	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041115"	103.101176	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"204673"	137.132476	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"647486"	205.195076	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1165611"	69.069876	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431076"	426.409423	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"789882"	630.597223	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1687307"	222.221623	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"332669"	213.7083495	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"724723"	315.8022495	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1479268"	111.6144495	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395397"	431.364818	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758216"	635.552618	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1606314"	227.177018	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"317445"	216.186047	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709865"	318.279947	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463686"	114.092147	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1056934"	76.39719	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1259704"	237.221286	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381560"	447.338758	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739880"	651.526558	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541449"	243.150958	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300691"	224.173017	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"693115"	326.266917	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1450216"	122.079117	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"241738"	450.409426	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222836"	246.221626	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1199425"	123.614451	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"191931"	453.34676	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"637691"	657.53456	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1140106"	249.15896	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"179022"	227.177018	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617851"	329.270918	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122090"	125.083118	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1405614"	83.724504	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1431895"	251.200546	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"222320"	232.21004	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1514390"	265.25259	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"414075"	235.163988	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"777257"	337.257888	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1672496"	133.070088	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"257196"	472.391368	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1234642"	268.203568	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1722800"	268.227093	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187062"	91.051818	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659874"	273.182488	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"168922"	485.29464	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609940"	689.48244	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1093357"	281.10684	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"148354"	243.150958	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"585359"	345.244858	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1074246"	141.057058	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1106362"	283.121392	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336423"	283.209007	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1015659"	287.248176	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1528314"	288.241808	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"996953"	144.127726	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593641"	289.156428	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1418211"	319.187938	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1150689"	164.641001	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1710083"	336.214485	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641360"	341.16988	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582479"	357.14382	"C20273"	"gamma-Muurolene;()-gamma-Muurolene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"803002"	204.1878	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M"	0
"976900"	185.16941	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64410"	135.117924	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"505429"	203.180524	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"884324"	67.055324	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"14570"	203.180524	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"453405"	305.274424	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"830112"	101.086624	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"91928"	407.368324	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"529665"	611.556124	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"906375"	203.180524	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"55282"	424.394871	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"497029"	628.582671	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"866445"	220.207071	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"32889"	429.350266	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"473052"	633.538066	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"850979"	225.162466	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1620266"	225.162466	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96064"	221.168863	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536238"	323.262763	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930479"	119.074963	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"272317"	443.345002	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"673851"	647.532802	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285525"	239.157202	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"22985"	445.324206	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"462546"	649.512006	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"837067"	241.136406	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1556228"	241.136406	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"943098"	249.185994	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"365563"	453.373801	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"349446"	467.389451	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1495005"	263.201651	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"959993"	271.167951	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"110227"	239.157202	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"551132"	341.251102	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1029667"	137.063302	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251430"	283.106685	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1309870"	285.162672	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1323719"	307.144629	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"916237"	317.173386	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1288928"	353.150064	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1367702"	169.175124	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1384590"	187.1851	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"282973"	409.382876	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"678160"	613.570676	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1353172"	205.195076	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H"	1.007276
"126662"	205.195076	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"566954"	307.288976	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1039035"	103.101176	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"205595"	137.132476	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"645408"	205.195076	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164021"	69.069876	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"433373"	426.409423	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"791085"	630.597223	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1687417"	222.221623	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"335695"	213.7083495	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"725562"	315.8022495	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1484118"	111.6144495	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395507"	431.364818	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"756867"	635.552618	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604964"	227.177018	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"316460"	216.186047	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"711068"	318.279947	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463067"	114.092147	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1057043"	76.39719	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1263094"	237.221286	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383857"	447.338758	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740842"	651.526558	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1542531"	243.150958	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300801"	224.173017	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"696141"	326.266917	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1451420"	122.079117	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"244400"	450.409426	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1222581"	246.221626	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1200993"	123.614451	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194227"	453.34676	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"634515"	657.53456	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1142403"	249.15896	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182412"	227.177018	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617597"	329.270918	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1122200"	125.083118	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404631"	83.724504	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1433463"	251.200546	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"224617"	232.21004	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1511220"	265.25259	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"414184"	235.163988	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"775545"	337.257888	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669327"	133.070088	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"258398"	472.391368	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1232928"	268.203568	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1722908"	268.227093	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187170"	91.051818	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1660709"	273.182488	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"169397"	485.29464	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"608593"	689.48244	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095289"	281.10684	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"151377"	243.150958	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"586563"	345.244858	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1075450"	141.057058	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1108659"	283.121392	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1336656"	283.209007	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1015405"	287.248176	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1527331"	288.241808	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"997063"	144.127726	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1592658"	289.156428	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1417228"	319.187938	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1150799"	164.641001	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1709101"	336.214485	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1644750"	341.16988	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582589"	357.14382	"C20274"	"beta-Copaene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"803112"	204.1878	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M"	0
"976646"	185.16941	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"62986"	135.117924	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"503473"	203.180524	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880544"	67.055324	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"8482"	203.180524	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"454608"	305.274424	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"830221"	101.086624	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"93863"	407.368324	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"530868"	611.556124	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"908671"	203.180524	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"52112"	424.394871	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"490579"	628.582671	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"865826"	220.207071	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"33363"	429.350266	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"473288"	633.538066	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"850726"	225.162466	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619524"	225.162466	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96423"	221.168863	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"538169"	323.262763	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930222"	119.074963	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"276801"	443.345002	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"675386"	647.532802	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1287701"	239.157202	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"23095"	445.324206	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"461564"	649.512006	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"843740"	241.136406	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1557756"	241.136406	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"944181"	249.185994	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"365674"	453.373801	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"349920"	467.389451	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1496208"	263.201651	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"960467"	271.167951	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"110077"	239.157202	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"551121"	341.251102	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1026129"	137.063302	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1245708"	283.106685	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1307792"	285.162672	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1321642"	307.144629	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"913795"	317.173386	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1289529"	353.150064	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1368662"	169.175124	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1383361"	187.1851	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"283490"	409.382876	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676810"	613.570676	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1352432"	205.195076	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H"	1.007276
"125837"	205.195076	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"565706"	307.288976	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1037440"	103.101176	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"204976"	137.132476	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"644340"	205.195076	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1164738"	69.069876	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"431297"	426.409423	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"790102"	630.597223	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1684609"	222.221623	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"331792"	213.7083495	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"725670"	315.8022495	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1478759"	111.6144495	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"393551"	431.364818	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"756248"	635.552618	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1605440"	227.177018	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315961"	216.186047	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708383"	318.279947	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461959"	114.092147	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1059340"	76.39719	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1262111"	237.221286	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381780"	447.338758	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740588"	651.526558	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541181"	243.150958	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300911"	224.173017	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692971"	326.266917	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1449707"	122.079117	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"243415"	450.409426	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1217222"	246.221626	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1206210"	123.614451	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"193609"	453.34676	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"636818"	657.53456	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1140326"	249.15896	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182521"	227.177018	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"617706"	329.270918	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121217"	125.083118	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404741"	83.724504	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1432480"	251.200546	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"221448"	232.21004	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1512057"	265.25259	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"413201"	235.163988	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"771283"	337.257888	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1667978"	133.070088	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"255593"	472.391368	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1233038"	268.203568	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1720832"	268.227093	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1189104"	91.051818	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659362"	273.182488	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"170599"	485.29464	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"610888"	689.48244	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095763"	281.10684	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"149302"	243.150958	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"584486"	345.244858	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1076654"	141.057058	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110958"	283.121392	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337496"	283.209007	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1010415"	287.248176	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1525982"	288.241808	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"990604"	144.127726	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1589489"	289.156428	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1416245"	319.187938	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1152002"	164.641001	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711398"	336.214485	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641580"	341.16988	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582699"	357.14382	"C20275"	"()-Sativene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804315"	476.4382	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M"	0
"976756"	457.41981	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-H2O-H"	-19.01839
"63075"	316.618190666667	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M-3H"	-3.021828
"504555"	475.430924	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M-3H"	-3.021828
"883451"	157.805457333333	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-3H"	-3.021828
"9685"	475.430924	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M-2H"	-2.014552
"449247"	713.650024	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M-2H"	-2.014552
"829238"	237.211824	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-2H"	-2.014552
"85947"	951.869124	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M-H"	-1.007276
"529885"	1428.307324	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M-H"	-1.007276
"904408"	475.430924	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-H"	-1.007276
"56596"	968.895671	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M-2H+NH4"	16.019271
"491783"	1445.333871	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M-2H+NH4"	16.019271
"871769"	492.457471	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-2H+NH4"	16.019271
"34930"	973.851066	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M-2H+Na"	20.974666
"473396"	1450.289266	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M-2H+Na"	20.974666
"851930"	497.412866	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-2H+Na"	20.974666
"1618908"	497.412866	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Na-2H"	20.974666
"96168"	493.419263	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M-H+Cl"	33.962126
"542652"	731.638363	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M-H+Cl"	33.962126
"927781"	255.200163	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-H+Cl"	33.962126
"272537"	987.845802	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+Cl"	34.969402
"668239"	1464.284002	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+Cl"	34.969402
"1283922"	511.407602	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Cl"	34.969402
"21019"	989.825006	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M-2H+K"	36.948606
"464954"	1466.263206	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M-2H+K"	36.948606
"841663"	513.386806	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-2H+K"	36.948606
"1565152"	513.386806	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+K-2H"	36.948606
"946477"	521.436394	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-H+HCOOH"	44.998194
"364690"	997.874601	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+HCOOH-H"	44.998201
"347479"	1011.890251	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+Hac-H"	59.013851
"1495225"	535.452051	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Hac-H"	59.013851
"960214"	543.418351	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-H+NaCOOH"	66.980151
"110249"	511.407602	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+2Cl"	69.938804
"550381"	749.626702	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+2Cl"	69.938804
"1028061"	273.188502	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2Cl"	69.938804
"1244723"	555.357085	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Br"	78.918885
"1307173"	557.413072	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Cl+HCOOH"	80.974872
"1321752"	579.395029	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Cl+NaCOOH"	102.956829
"913541"	589.423786	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M-H+CF3COOH"	112.985586
"1289518"	625.400464	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Cl+CF3COOH"	148.962264
"1368772"	441.425524	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H-2H2O"	-35.012676
"1384443"	459.4355	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H-H2O"	-17.0027
"283112"	953.883676	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+H"	1.007276
"675945"	1430.321876	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+H"	1.007276
"1353270"	477.445476	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H"	1.007276
"125915"	477.445476	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+2H"	2.014552
"565835"	715.664576	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+2H"	2.014552
"1037671"	239.226376	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2H"	2.014552
"204434"	318.632742666667	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+3H"	3.021828
"644373"	477.445476	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+3H"	3.021828
"1163066"	159.820009333333	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+3H"	3.021828
"424843"	970.910223	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+NH4"	18.033823
"790212"	1447.348423	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+NH4"	18.033823
"1683258"	494.472023	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+NH4"	18.033823
"331897"	485.9587495	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+H+NH4"	19.041099
"723953"	724.1778495	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+H+NH4"	19.041099
"1480329"	247.7396495	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H+NH4"	19.041099
"395727"	975.865618	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+Na"	22.989218
"754245"	1452.303818	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+Na"	22.989218
"1602812"	499.427418	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Na"	22.989218
"316680"	488.436447	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+H+Na"	23.996494
"711289"	726.655547	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+H+Na"	23.996494
"1461364"	250.217347	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H+Na"	23.996494
"1056168"	167.147323333333	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2H+Na"	25.00377
"1260398"	509.471686	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+CH3OH+H"	33.033486
"380796"	991.839558	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+K"	38.963158
"741063"	1468.277758	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+K"	38.963158
"1540563"	515.401358	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+K"	38.963158
"304301"	496.423417	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+H+K"	39.970434
"693810"	734.642517	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+H+K"	39.970434
"1450546"	258.204317	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H+K"	39.970434
"244618"	994.910226	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+ACN+H"	42.033826
"1217332"	518.472026	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+ACN+H"	42.033826
"1206320"	259.739651	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+ACN+2H"	43.041102
"202355"	997.84756	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+2Na-H"	44.97116
"641305"	1474.28576	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+2Na-H"	44.97116
"1139708"	521.40936	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2Na-H"	44.97116
"179351"	499.427418	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+2Na"	45.978436
"617088"	737.646518	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+2Na"	45.978436
"1119496"	261.208318	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2Na"	45.978436
"1404850"	174.474637333333	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H+2Na"	46.985712
"1431498"	523.450946	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H+HCOOH"	47.012746
"221922"	504.46044	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+3H2O+2H"	56.04448
"1511438"	537.50299	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+IsoProp+H"	61.06479
"414038"	507.414388	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+Na+K"	61.952376
"773215"	745.633488	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+Na+K"	61.952376
"1669180"	269.195288	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Na+K"	61.952376
"254609"	1016.892168	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+ACN+Na"	64.015768
"1232056"	540.453968	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+ACN+Na"	64.015768
"1723860"	540.477493	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+NH4+HCOOH"	64.039293
"1187026"	181.801951333333	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+3Na"	68.967654
"1662389"	545.432888	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Na+HCOOH"	68.994688
"168521"	1029.79544	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+2K-H"	76.91904
"608811"	1506.23364	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+2K-H"	76.91904
"1096967"	553.35724	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2K-H"	76.91904
"149411"	515.401358	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"2M+2K"	77.926316
"583503"	753.620458	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"3M+2K"	77.926316
"1077859"	277.182258	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2K"	77.926316
"1111068"	555.371792	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2K+H"	78.933592
"1336876"	555.459407	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+DMSO+H"	79.021207
"1009432"	559.498576	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2ACN+H"	83.060376
"1525365"	560.492208	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+IsoProp+Na+H"	84.054008
"990106"	280.252926	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+2ACN+2H"	84.067652
"1590692"	561.406828	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+K+HCOOH"	84.968628
"1416355"	591.438338	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+H+CF3COOH"	115.000138
"1160864"	300.766201	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+3ACN+2H"	125.094202
"1710413"	608.464885	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+NH4+CF3COOH"	132.026685
"1641690"	613.42028	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+Na+CF3COOH"	136.98208
"1582809"	629.39422	"C20276"	"Tetraprenyl-beta-curcumene"	"C35H56"	"476.4382"	"M+K+CF3COOH"	152.95602
"803332"	146.1055	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M"	0
"975405"	127.08711	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-H2O-H"	-19.01839
"64011"	96.3963906666667	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M-3H"	-3.021828
"506852"	145.098224	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M-3H"	-3.021828
"883561"	47.6945573333333	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-3H"	-3.021828
"10888"	145.098224	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M-2H"	-2.014552
"450450"	218.150974	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M-2H"	-2.014552
"829348"	72.045474	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-2H"	-2.014552
"86057"	291.203724	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M-H"	-1.007276
"528902"	437.309224	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M-H"	-1.007276
"904519"	145.098224	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-H"	-1.007276
"54519"	308.230271	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M-2H+NH4"	16.019271
"491893"	454.335771	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M-2H+NH4"	16.019271
"870786"	162.124771	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-2H+NH4"	16.019271
"39779"	313.185666	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M-2H+Na"	20.974666
"480433"	459.291166	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M-2H+Na"	20.974666
"849848"	167.080166	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-2H+Na"	20.974666
"1619382"	167.080166	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Na-2H"	20.974666
"96643"	163.086563	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M-H+Cl"	33.962126
"536198"	236.139313	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M-H+Cl"	33.962126
"932267"	90.033813	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-H+Cl"	33.962126
"268999"	327.180402	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+Cl"	34.969402
"666162"	473.285902	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+Cl"	34.969402
"1282938"	181.074902	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Cl"	34.969402
"21129"	329.159606	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M-2H+K"	36.948606
"467252"	475.265106	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M-2H+K"	36.948606
"845053"	183.054106	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-2H+K"	36.948606
"1561982"	183.054106	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+K-2H"	36.948606
"948775"	191.103694	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-H+HCOOH"	44.998194
"364435"	337.209201	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+HCOOH-H"	44.998201
"353057"	351.224851	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+Hac-H"	59.013851
"1498615"	205.119351	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Hac-H"	59.013851
"960324"	213.085651	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-H+NaCOOH"	66.980151
"110440"	181.074902	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+2Cl"	69.938804
"550290"	254.127652	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+2Cl"	69.938804
"1030357"	108.022152	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2Cl"	69.938804
"1244833"	225.024385	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Br"	78.918885
"1308013"	227.080372	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Cl+HCOOH"	80.974872
"1322591"	249.062329	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Cl+NaCOOH"	102.956829
"914015"	259.091086	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M-H+CF3COOH"	112.985586
"1289630"	295.067764	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Cl+CF3COOH"	148.962264
"1368152"	111.092824	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H-2H2O"	-35.012676
"1385283"	129.1028	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H-H2O"	-17.0027
"283874"	293.218276	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+H"	1.007276
"675893"	439.323776	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+H"	1.007276
"1353380"	147.112776	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H"	1.007276
"127727"	147.112776	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+2H"	2.014552
"566673"	220.165526	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+2H"	2.014552
"1038024"	74.060026	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2H"	2.014552
"205437"	98.4109426666667	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+3H"	3.021828
"644357"	147.112776	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+3H"	3.021828
"1163622"	49.7091093333333	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+3H"	3.021828
"425195"	310.244823	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+NH4"	18.033823
"787042"	456.350323	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+NH4"	18.033823
"1681747"	164.139323	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+NH4"	18.033823
"330382"	155.6260495	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+H+NH4"	19.041099
"724663"	228.6787995	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+H+NH4"	19.041099
"1477397"	82.5732995	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H+NH4"	19.041099
"393364"	315.200218	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+Na"	22.989218
"754716"	461.305718	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+Na"	22.989218
"1603101"	169.094718	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Na"	22.989218
"318977"	158.103747	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+H+Na"	23.996494
"709212"	231.156497	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+H+Na"	23.996494
"1463398"	85.050997	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H+Na"	23.996494
"1054821"	57.0364233333333	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2H+Na"	25.00377
"1257714"	179.138986	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+CH3OH+H"	33.033486
"377991"	331.174158	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+K"	38.963158
"739471"	477.279658	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+K"	38.963158
"1540675"	185.068658	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+K"	38.963158
"303319"	166.090717	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+H+K"	39.970434
"693556"	239.143467	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+H+K"	39.970434
"1446282"	93.037967	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H+K"	39.970434
"239261"	334.244826	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+ACN+H"	42.033826
"1217442"	188.139326	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+ACN+H"	42.033826
"1206794"	94.573301	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+ACN+2H"	43.041102
"201978"	337.18216	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+2Na-H"	44.97116
"641415"	483.28766	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+2Na-H"	44.97116
"1140546"	191.07666	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2Na-H"	44.97116
"177274"	169.094718	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+2Na"	45.978436
"614280"	242.147468	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+2Na"	45.978436
"1118512"	96.041968	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2Na"	45.978436
"1404960"	64.3637373333333	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H+2Na"	46.985712
"1432702"	193.118246	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H+HCOOH"	47.012746
"223491"	174.12774	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+3H2O+2H"	56.04448
"1511549"	207.17029	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+IsoProp+H"	61.06479
"413055"	177.081688	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+Na+K"	61.952376
"774419"	250.134438	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+Na+K"	61.952376
"1669656"	104.028938	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Na+K"	61.952376
"255084"	356.226768	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+ACN+Na"	64.015768
"1232168"	210.121268	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+ACN+Na"	64.015768
"1721783"	210.144793	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+NH4+HCOOH"	64.039293
"1186406"	71.6910513333333	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+3Na"	68.967654
"1661770"	215.100188	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Na+HCOOH"	68.994688
"168631"	369.13004	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+2K-H"	76.91904
"609286"	515.23554	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+2K-H"	76.91904
"1095984"	223.02454	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2K-H"	76.91904
"147335"	185.068658	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"2M+2K"	77.926316
"583613"	258.121408	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"3M+2K"	77.926316
"1077967"	112.015908	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2K"	77.926316
"1111908"	225.039092	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2K+H"	78.933592
"1336621"	225.126707	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+DMSO+H"	79.021207
"1012821"	229.165876	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2ACN+H"	83.060376
"1525475"	230.159508	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+IsoProp+Na+H"	84.054008
"990581"	115.086576	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+2ACN+2H"	84.067652
"1590072"	231.074128	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+K+HCOOH"	84.968628
"1416465"	261.105638	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+H+CF3COOH"	115.000138
"1160973"	135.599851	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+3ACN+2H"	125.094202
"1707243"	278.132185	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+NH4+CF3COOH"	132.026685
"1639612"	283.08758	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+Na+CF3COOH"	136.98208
"1586199"	299.06152	"C20277"	"(2R3R)-3-Methylornithine;(3R)-3-Methyl-D-ornithine"	"C6H14N2O2"	"146.1055"	"M+K+CF3COOH"	152.95602
"806724"	274.2005	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M"	0
"980257"	255.18211	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-H2O-H"	-19.01839
"63010"	181.793057333333	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M-3H"	-3.021828
"503316"	273.193224	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M-3H"	-3.021828
"890232"	90.3928906666666	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-3H"	-3.021828
"14889"	273.193224	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M-2H"	-2.014552
"452754"	410.293474	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M-2H"	-2.014552
"829461"	136.092974	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-2H"	-2.014552
"90546"	547.393724	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M-H"	-1.007276
"526828"	821.594224	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M-H"	-1.007276
"897090"	273.193224	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-H"	-1.007276
"48792"	564.420271	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M-2H+NH4"	16.019271
"490909"	838.620771	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M-2H+NH4"	16.019271
"865422"	290.219771	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-2H+NH4"	16.019271
"32594"	569.375666	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M-2H+Na"	20.974666
"472395"	843.576166	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M-2H+Na"	20.974666
"849958"	295.175166	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-2H+Na"	20.974666
"1620953"	295.175166	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Na-2H"	20.974666
"97115"	291.181563	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M-H+Cl"	33.962126
"535584"	428.281813	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M-H+Cl"	33.962126
"930191"	154.081313	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-H+Cl"	33.962126
"269841"	583.370402	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+Cl"	34.969402
"668459"	857.570902	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+Cl"	34.969402
"1277584"	309.169902	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Cl"	34.969402
"21239"	585.349606	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M-2H+K"	36.948606
"469187"	859.550106	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M-2H+K"	36.948606
"844070"	311.149106	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-2H+K"	36.948606
"1565372"	311.149106	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+K-2H"	36.948606
"947791"	319.198694	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-H+HCOOH"	44.998194
"363818"	593.399201	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+HCOOH-H"	44.998201
"349889"	607.414851	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+Hac-H"	59.013851
"1496536"	333.214351	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Hac-H"	59.013851
"960798"	341.180651	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-H+NaCOOH"	66.980151
"110671"	309.169902	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+2Cl"	69.938804
"550718"	446.270152	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+2Cl"	69.938804
"1031196"	172.069652	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2Cl"	69.938804
"1246767"	353.119385	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Br"	78.918885
"1308851"	355.175372	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Cl+HCOOH"	80.974872
"1323430"	377.157329	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Cl+NaCOOH"	102.956829
"915947"	387.186086	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M-H+CF3COOH"	112.985586
"1289416"	423.162764	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Cl+CF3COOH"	148.962264
"1367534"	239.187824	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H-2H2O"	-35.012676
"1383572"	257.1978	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H-H2O"	-17.0027
"283985"	549.408276	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+H"	1.007276
"676776"	823.608776	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+H"	1.007276
"1353857"	275.207776	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H"	1.007276
"128932"	275.207776	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+2H"	2.014552
"567393"	412.308026	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+2H"	2.014552
"1037527"	138.107526	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2H"	2.014552
"205675"	183.807609333333	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+3H"	3.021828
"645240"	275.207776	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+3H"	3.021828
"1163610"	92.4074426666667	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+3H"	3.021828
"425184"	566.434823	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+NH4"	18.033823
"786903"	840.635323	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+NH4"	18.033823
"1684573"	292.234323	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+NH4"	18.033823
"331510"	283.7210495	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+H+NH4"	19.041099
"723687"	420.8212995	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+H+NH4"	19.041099
"1477633"	146.6207995	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H+NH4"	19.041099
"394856"	571.390218	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+Na"	22.989218
"754836"	845.590718	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+Na"	22.989218
"1603701"	297.189718	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Na"	22.989218
"315199"	286.198747	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+H+Na"	23.996494
"708470"	423.298997	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+H+Na"	23.996494
"1461926"	149.098497	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H+Na"	23.996494
"1056024"	99.7347566666667	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2H+Na"	25.00377
"1257945"	307.233986	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+CH3OH+H"	33.033486
"377857"	587.364158	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+K"	38.963158
"739582"	861.564658	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+K"	38.963158
"1540128"	313.163658	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+K"	38.963158
"302335"	294.185717	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+H+K"	39.970434
"692937"	431.285967	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+H+K"	39.970434
"1447485"	157.085467	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H+K"	39.970434
"238278"	590.434826	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+ACN+H"	42.033826
"1217552"	316.234326	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+ACN+H"	42.033826
"1207877"	158.620801	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+ACN+2H"	43.041102
"201964"	593.37216	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+2Na-H"	44.97116
"641892"	867.57266	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+2Na-H"	44.97116
"1139562"	319.17166	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2Na-H"	44.97116
"178478"	297.189718	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+2Na"	45.978436
"620226"	434.289968	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+2Na"	45.978436
"1117534"	160.089468	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2Na"	45.978436
"1403977"	107.062070666667	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H+2Na"	46.985712
"1433905"	321.213246	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H+HCOOH"	47.012746
"226881"	302.22274	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+3H2O+2H"	56.04448
"1511661"	335.26529	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+IsoProp+H"	61.06479
"413531"	305.176688	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+Na+K"	61.952376
"774529"	442.276938	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+Na+K"	61.952376
"1667945"	168.076438	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Na+K"	61.952376
"256289"	612.416768	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+ACN+Na"	64.015768
"1230089"	338.216268	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+ACN+Na"	64.015768
"1717885"	338.239793	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+NH4+HCOOH"	64.039293
"1185425"	114.389384666667	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+3Na"	68.967654
"1656412"	343.195188	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Na+HCOOH"	68.994688
"159994"	625.32004	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+2K-H"	76.91904
"610490"	899.52054	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+2K-H"	76.91904
"1091724"	351.11954	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2K-H"	76.91904
"149632"	313.163658	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"2M+2K"	77.926316
"585910"	450.263908	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"3M+2K"	77.926316
"1068794"	176.063408	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2K"	77.926316
"1102539"	353.134092	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2K+H"	78.933592
"1335759"	353.221707	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+DMSO+H"	79.021207
"1007099"	357.260876	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2ACN+H"	83.060376
"1527774"	358.254508	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+IsoProp+Na+H"	84.054008
"992400"	179.134076	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+2ACN+2H"	84.067652
"1589089"	359.169128	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+K+HCOOH"	84.968628
"1415479"	389.200638	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+H+CF3COOH"	115.000138
"1152332"	199.647351	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+3ACN+2H"	125.094202
"1699696"	406.227185	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+NH4+CF3COOH"	132.026685
"1639722"	411.18258	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+Na+CF3COOH"	136.98208
"1586309"	427.15652	"C20278"	"(2R3R)-3-Methylornithinyl-N6-lysine"	"C12H26N4O3"	"274.2005"	"M+K+CF3COOH"	152.95602
"803554"	273.1689	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M"	0
"975263"	254.15051	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-H2O-H"	-19.01839
"63867"	181.105324	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M-3H"	-3.021828
"504156"	272.161624	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M-3H"	-3.021828
"884875"	90.049024	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-3H"	-3.021828
"13298"	272.161624	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M-2H"	-2.014552
"455523"	408.746074	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M-2H"	-2.014552
"831515"	135.577174	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-2H"	-2.014552
"91745"	545.330524	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M-H"	-1.007276
"528032"	818.499424	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M-H"	-1.007276
"899271"	272.161624	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-H"	-1.007276
"53645"	562.357071	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M-2H+NH4"	16.019271
"491015"	835.525971	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M-2H+NH4"	16.019271
"869543"	289.188171	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-2H+NH4"	16.019271
"33921"	567.312466	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M-2H+Na"	20.974666
"472020"	840.481366	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M-2H+Na"	20.974666
"850796"	294.143566	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-2H+Na"	20.974666
"1621058"	294.143566	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Na-2H"	20.974666
"97226"	290.149963	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M-H+Cl"	33.962126
"535695"	426.734413	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M-H+Cl"	33.962126
"932124"	153.565513	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-H+Cl"	33.962126
"271774"	581.307202	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+Cl"	34.969402
"669663"	854.476102	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+Cl"	34.969402
"1277695"	308.138302	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Cl"	34.969402
"22442"	583.286406	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M-2H+K"	36.948606
"470390"	856.455306	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M-2H+K"	36.948606
"840900"	310.117506	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-2H+K"	36.948606
"1565483"	310.117506	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+K-2H"	36.948606
"950088"	318.167094	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-H+HCOOH"	44.998194
"363563"	591.336001	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+HCOOH-H"	44.998201
"351092"	605.351651	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+Hac-H"	59.013851
"1495917"	332.182751	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Hac-H"	59.013851
"960543"	340.149051	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-H+NaCOOH"	66.980151
"111268"	308.138302	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+2Cl"	69.938804
"551558"	444.722752	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+2Cl"	69.938804
"1030213"	171.553852	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2Cl"	69.938804
"1246144"	352.087785	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Br"	78.918885
"1311147"	354.143772	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Cl+HCOOH"	80.974872
"1325362"	376.125729	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Cl+NaCOOH"	102.956829
"916787"	386.154486	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M-H+CF3COOH"	112.985586
"1290579"	422.131164	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Cl+CF3COOH"	148.962264
"1369100"	238.156224	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H-2H2O"	-35.012676
"1384530"	256.1662	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H-H2O"	-17.0027
"285187"	547.345076	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+H"	1.007276
"677979"	820.513976	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+H"	1.007276
"1351774"	274.176176	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H"	1.007276
"130135"	274.176176	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+2H"	2.014552
"567139"	410.760626	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+2H"	2.014552
"1038001"	137.591726	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2H"	2.014552
"205301"	183.119876	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+3H"	3.021828
"645961"	274.176176	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+3H"	3.021828
"1163720"	92.063576	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+3H"	3.021828
"428450"	564.371623	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+NH4"	18.033823
"791632"	837.540523	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+NH4"	18.033823
"1683217"	291.202723	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+NH4"	18.033823
"332230"	282.6894495	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+H+NH4"	19.041099
"723915"	419.2738995	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+H+NH4"	19.041099
"1479200"	146.1049995	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H+NH4"	19.041099
"392959"	569.327018	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+Na"	22.989218
"755592"	842.495918	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+Na"	22.989218
"1603565"	296.158118	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Na"	22.989218
"315185"	285.167147	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+H+Na"	23.996494
"707972"	421.751597	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+H+Na"	23.996494
"1462154"	148.582697	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H+Na"	23.996494
"1052968"	99.39089	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2H+Na"	25.00377
"1257566"	306.202386	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+CH3OH+H"	33.033486
"377354"	585.300958	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+K"	38.963158
"738593"	858.469858	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+K"	38.963158
"1539936"	312.132058	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+K"	38.963158
"299405"	293.154117	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+H+K"	39.970434
"692682"	429.738567	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+H+K"	39.970434
"1447229"	156.569667	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H+K"	39.970434
"238388"	588.371626	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+ACN+H"	42.033826
"1219849"	315.202726	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+ACN+H"	42.033826
"1209204"	158.105001	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+ACN+2H"	43.041102
"201711"	591.30896	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+2Na-H"	44.97116
"642003"	864.47786	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+2Na-H"	44.97116
"1139672"	318.14006	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2Na-H"	44.97116
"180775"	296.158118	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+2Na"	45.978436
"620336"	432.742568	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+2Na"	45.978436
"1118737"	159.573668	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2Na"	45.978436
"1399462"	106.718204	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H+2Na"	46.985712
"1434015"	320.181646	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H+HCOOH"	47.012746
"226991"	301.19114	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+3H2O+2H"	56.04448
"1511771"	334.23369	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+IsoProp+H"	61.06479
"413644"	304.145088	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+Na+K"	61.952376
"777919"	440.729538	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+Na+K"	61.952376
"1670970"	167.560638	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Na+K"	61.952376
"258587"	610.353568	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+ACN+Na"	64.015768
"1232388"	337.184668	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+ACN+Na"	64.015768
"1720180"	337.208193	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+NH4+HCOOH"	64.039293
"1188815"	114.045518	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+3Na"	68.967654
"1657616"	342.163588	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Na+HCOOH"	68.994688
"170797"	623.25684	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+2K-H"	76.91904
"610478"	896.42574	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+2K-H"	76.91904
"1091833"	350.08794	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2K-H"	76.91904
"149742"	312.132058	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"2M+2K"	77.926316
"583833"	448.716508	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"3M+2K"	77.926316
"1068942"	175.547608	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2K"	77.926316
"1101555"	352.102492	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2K+H"	78.933592
"1336353"	352.190107	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+DMSO+H"	79.021207
"1008667"	356.229276	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2ACN+H"	83.060376
"1528974"	357.222908	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+IsoProp+Na+H"	84.054008
"993967"	178.618276	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+2ACN+2H"	84.067652
"1589928"	358.137528	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+K+HCOOH"	84.968628
"1417775"	388.169038	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+H+CF3COOH"	115.000138
"1151349"	199.131551	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+3ACN+2H"	125.094202
"1704181"	405.195585	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+NH4+CF3COOH"	132.026685
"1638739"	410.15098	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+Na+CF3COOH"	136.98208
"1583139"	426.12492	"C20279"	"(2R3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine"	"C12H23N3O4"	"273.1689"	"M+K+CF3COOH"	152.95602
"804757"	264.0899	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M"	0
"976102"	245.07151	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H2O-H"	-19.01839
"65437"	175.052657333333	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-3H"	-3.021828
"506089"	263.082624	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-3H"	-3.021828
"884984"	87.0226906666667	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-3H"	-3.021828
"15312"	263.082624	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H"	-2.014552
"454431"	395.127574	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H"	-2.014552
"830771"	131.037674	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H"	-2.014552
"91855"	527.172524	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-H"	-1.007276
"528142"	791.262424	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-H"	-1.007276
"898652"	263.082624	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H"	-1.007276
"50837"	544.199071	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H+NH4"	16.019271
"490031"	808.288971	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H+NH4"	16.019271
"868926"	280.109171	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H+NH4"	16.019271
"34639"	549.154466	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H+Na"	20.974666
"474200"	813.244366	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H+Na"	20.974666
"850543"	285.064566	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H+Na"	20.974666
"1621899"	285.064566	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na-2H"	20.974666
"99159"	281.070963	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-H+Cl"	33.962126
"536532"	413.115913	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-H+Cl"	33.962126
"930046"	149.026013	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+Cl"	33.962126
"274070"	563.149202	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Cl"	34.969402
"670866"	827.239102	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+Cl"	34.969402
"1279991"	299.059302	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl"	34.969402
"22552"	565.128406	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H+K"	36.948606
"470135"	829.218306	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H+K"	36.948606
"837729"	301.038506	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H+K"	36.948606
"1567416"	301.038506	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K-2H"	36.948606
"951290"	309.088094	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+HCOOH"	44.998194
"367318"	573.178001	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+HCOOH-H"	44.998201
"353389"	587.193651	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Hac-H"	59.013851
"1496027"	323.103751	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Hac-H"	59.013851
"965394"	331.070051	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+NaCOOH"	66.980151
"112109"	299.059302	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2Cl"	69.938804
"551668"	431.104252	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2Cl"	69.938804
"1031781"	167.014352	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2Cl"	69.938804
"1248807"	343.008785	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Br"	78.918885
"1312349"	345.064772	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl+HCOOH"	80.974872
"1325473"	367.046729	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl+NaCOOH"	102.956829
"914710"	377.075486	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+CF3COOH"	112.985586
"1289960"	413.052164	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl+CF3COOH"	148.962264
"1369215"	229.077224	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H-2H2O"	-35.012676
"1384158"	247.0872	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H-H2O"	-17.0027
"284205"	529.187076	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H"	1.007276
"676995"	793.276976	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H"	1.007276
"1351679"	265.097176	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H"	1.007276
"128423"	265.097176	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2H"	2.014552
"566521"	397.142126	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2H"	2.014552
"1037505"	133.052226	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2H"	2.014552
"205411"	177.067209333333	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+3H"	3.021828
"646070"	265.097176	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+3H"	3.021828
"1164559"	89.0372426666667	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+3H"	3.021828
"426738"	546.213623	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+NH4"	18.033823
"790649"	810.303523	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+NH4"	18.033823
"1682604"	282.123723	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+NH4"	18.033823
"332340"	273.6104495	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H+NH4"	19.041099
"724395"	405.6553995	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H+NH4"	19.041099
"1478946"	141.5654995	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+NH4"	19.041099
"393855"	551.169018	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Na"	22.989218
"756067"	815.258918	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+Na"	22.989218
"1605018"	287.079118	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na"	22.989218
"316148"	276.088147	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H+Na"	23.996494
"708569"	408.133097	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H+Na"	23.996494
"1462263"	144.043197	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+Na"	23.996494
"1053444"	96.3645566666667	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2H+Na"	25.00377
"1259135"	297.123386	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+CH3OH+H"	33.033486
"380143"	567.142958	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+K"	38.963158
"739799"	831.232858	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+K"	38.963158
"1540515"	303.053058	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K"	38.963158
"299758"	284.075117	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H+K"	39.970434
"693153"	416.120067	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H+K"	39.970434
"1448431"	152.030167	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+K"	39.970434
"239591"	570.213626	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+ACN+H"	42.033826
"1219959"	306.123726	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+ACN+H"	42.033826
"1206033"	153.565501	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+ACN+2H"	43.041102
"200000"	573.15096	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2Na-H"	44.97116
"640290"	837.24086	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2Na-H"	44.97116
"1139782"	309.06106	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2Na-H"	44.97116
"184165"	287.079118	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2Na"	45.978436
"621540"	419.124068	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2Na"	45.978436
"1118117"	155.034168	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2Na"	45.978436
"1400909"	103.691870666667	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+2Na"	46.985712
"1434125"	311.102646	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+HCOOH"	47.012746
"227101"	292.11214	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+3H2O+2H"	56.04448
"1515161"	325.15469	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+IsoProp+H"	61.06479
"414848"	295.066088	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Na+K"	61.952376
"776938"	427.111038	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+Na+K"	61.952376
"1672174"	163.021138	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na+K"	61.952376
"258697"	592.195568	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+ACN+Na"	64.015768
"1234686"	328.105668	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+ACN+Na"	64.015768
"1722477"	328.129193	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+NH4+HCOOH"	64.039293
"1190020"	111.019184666667	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+3Na"	68.967654
"1663194"	333.084588	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na+HCOOH"	68.994688
"171151"	605.09884	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2K-H"	76.91904
"610712"	869.18874	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2K-H"	76.91904
"1093038"	341.00894	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2K-H"	76.91904
"150945"	303.053058	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2K"	77.926316
"588317"	435.098008	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2K"	77.926316
"1071736"	171.008108	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2K"	77.926316
"1103852"	343.023492	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2K+H"	78.933592
"1337075"	343.111107	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+DMSO+H"	79.021207
"1008776"	347.150276	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2ACN+H"	83.060376
"1529084"	348.143908	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+IsoProp+Na+H"	84.054008
"994440"	174.078776	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2ACN+2H"	84.067652
"1590036"	349.058528	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K+HCOOH"	84.968628
"1416425"	379.090038	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+CF3COOH"	115.000138
"1152552"	194.592051	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+3ACN+2H"	125.094202
"1704291"	396.116585	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+NH4+CF3COOH"	132.026685
"1639942"	401.07198	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na+CF3COOH"	136.98208
"1583249"	417.04592	"C20280"	"1-Phenylazo-26-dihydroxynaphthalene;6-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K+CF3COOH"	152.95602
"803774"	264.0899	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M"	0
"975603"	245.07151	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H2O-H"	-19.01839
"64696"	175.052657333333	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-3H"	-3.021828
"503280"	263.082624	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-3H"	-3.021828
"885095"	87.0226906666667	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-3H"	-3.021828
"10238"	263.082624	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H"	-2.014552
"453808"	395.127574	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H"	-2.014552
"829787"	131.037674	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H"	-2.014552
"90872"	527.172524	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-H"	-1.007276
"532504"	791.262424	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-H"	-1.007276
"901680"	263.082624	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H"	-1.007276
"49490"	544.199071	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H+NH4"	16.019271
"489780"	808.288971	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H+NH4"	16.019271
"867213"	280.109171	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H+NH4"	16.019271
"34385"	549.154466	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H+Na"	20.974666
"474675"	813.244366	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H+Na"	20.974666
"850654"	285.064566	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H+Na"	20.974666
"1620192"	285.064566	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na-2H"	20.974666
"95626"	281.070963	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-H+Cl"	33.962126
"538831"	413.115913	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-H+Cl"	33.962126
"930155"	149.026013	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+Cl"	33.962126
"273087"	563.149202	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Cl"	34.969402
"670977"	827.239102	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+Cl"	34.969402
"1277185"	299.059302	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl"	34.969402
"17556"	565.128406	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M-2H+K"	36.948606
"462223"	829.218306	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M-2H+K"	36.948606
"836016"	301.038506	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-2H+K"	36.948606
"1561333"	301.038506	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K-2H"	36.948606
"944473"	309.088094	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+HCOOH"	44.998194
"363418"	573.178001	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+HCOOH-H"	44.998201
"348396"	587.193651	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Hac-H"	59.013851
"1499058"	323.103751	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Hac-H"	59.013851
"966597"	331.070051	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+NaCOOH"	66.980151
"113321"	299.059302	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2Cl"	69.938804
"553972"	431.104252	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2Cl"	69.938804
"1030433"	167.014352	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2Cl"	69.938804
"1251106"	343.008785	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Br"	78.918885
"1312461"	345.064772	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl+HCOOH"	80.974872
"1325948"	367.046729	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl+NaCOOH"	102.956829
"917007"	377.075486	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M-H+CF3COOH"	112.985586
"1290431"	413.052164	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Cl+CF3COOH"	148.962264
"1368958"	229.077224	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H-2H2O"	-35.012676
"1384994"	247.0872	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H-H2O"	-17.0027
"284314"	529.187076	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H"	1.007276
"678564"	793.276976	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H"	1.007276
"1352725"	265.097176	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H"	1.007276
"127802"	265.097176	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2H"	2.014552
"567238"	397.142126	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2H"	2.014552
"1037365"	133.052226	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2H"	2.014552
"205396"	177.067209333333	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+3H"	3.021828
"644719"	265.097176	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+3H"	3.021828
"1165763"	89.0372426666667	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+3H"	3.021828
"425389"	546.213623	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+NH4"	18.033823
"787477"	810.303523	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+NH4"	18.033823
"1683079"	282.123723	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+NH4"	18.033823
"332817"	273.6104495	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H+NH4"	19.041099
"728153"	405.6553995	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H+NH4"	19.041099
"1479056"	141.5654995	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+NH4"	19.041099
"394455"	551.169018	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Na"	22.989218
"754840"	815.258918	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+Na"	22.989218
"1604154"	287.079118	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na"	22.989218
"314422"	276.088147	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H+Na"	23.996494
"707255"	408.133097	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H+Na"	23.996494
"1461471"	144.043197	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+Na"	23.996494
"1053803"	96.3645566666667	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2H+Na"	25.00377
"1257209"	297.123386	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+CH3OH+H"	33.033486
"377248"	567.142958	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+K"	38.963158
"738721"	831.232858	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+K"	38.963158
"1541119"	303.053058	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K"	38.963158
"303766"	284.075117	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+H+K"	39.970434
"697281"	416.120067	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+H+K"	39.970434
"1447816"	152.030167	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+K"	39.970434
"238607"	570.213626	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+ACN+H"	42.033826
"1217883"	306.123726	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+ACN+H"	42.033826
"1207966"	153.565501	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+ACN+2H"	43.041102
"197925"	573.15096	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2Na-H"	44.97116
"639672"	837.24086	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2Na-H"	44.97116
"1142080"	309.06106	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2Na-H"	44.97116
"180995"	287.079118	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2Na"	45.978436
"622742"	419.124068	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2Na"	45.978436
"1129531"	155.034168	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2Na"	45.978436
"1407587"	103.691870666667	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+2Na"	46.985712
"1437520"	311.102646	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+HCOOH"	47.012746
"229400"	292.11214	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+3H2O+2H"	56.04448
"1511629"	325.15469	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+IsoProp+H"	61.06479
"411684"	295.066088	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+Na+K"	61.952376
"773041"	427.111038	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+Na+K"	61.952376
"1668644"	163.021138	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na+K"	61.952376
"263184"	592.195568	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+ACN+Na"	64.015768
"1233704"	328.105668	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+ACN+Na"	64.015768
"1724779"	328.129193	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+NH4+HCOOH"	64.039293
"1190133"	111.019184666667	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+3Na"	68.967654
"1661120"	333.084588	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na+HCOOH"	68.994688
"165791"	605.09884	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2K-H"	76.91904
"610822"	869.18874	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2K-H"	76.91904
"1098494"	341.00894	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2K-H"	76.91904
"142544"	303.053058	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"2M+2K"	77.926316
"591707"	435.098008	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"3M+2K"	77.926316
"1069414"	171.008108	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2K"	77.926316
"1103959"	343.023492	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2K+H"	78.933592
"1337553"	343.111107	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+DMSO+H"	79.021207
"1011068"	347.150276	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2ACN+H"	83.060376
"1530288"	348.143908	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+IsoProp+Na+H"	84.054008
"993462"	174.078776	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+2ACN+2H"	84.067652
"1589422"	349.058528	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K+HCOOH"	84.968628
"1415807"	379.090038	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+H+CF3COOH"	115.000138
"1148649"	194.592051	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+3ACN+2H"	125.094202
"1697957"	396.116585	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+NH4+CF3COOH"	132.026685
"1636772"	401.07198	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+Na+CF3COOH"	136.98208
"1583359"	417.04592	"C20281"	"1-(4-Hydroxyphenylazo)-2-naphthol;4-OH-Sudan I"	"C16H12N2O2"	"264.0899"	"M+K+CF3COOH"	152.95602
"811539"	280.0848	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M"	0
"983978"	261.06641	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H2O-H"	-19.01839
"71129"	185.715924	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-3H"	-3.021828
"502863"	279.077524	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-3H"	-3.021828
"879966"	92.354324	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-3H"	-3.021828
"10348"	279.077524	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H"	-2.014552
"453189"	419.119924	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H"	-2.014552
"828806"	139.035124	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H"	-2.014552
"89890"	559.162324	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-H"	-1.007276
"531278"	839.247124	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-H"	-1.007276
"901790"	279.077524	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H"	-1.007276
"47417"	576.188871	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H+NH4"	16.019271
"496817"	856.273671	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H+NH4"	16.019271
"865139"	296.104071	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H+NH4"	16.019271
"33769"	581.144266	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H+Na"	20.974666
"472963"	861.229066	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H+Na"	20.974666
"849307"	301.059466	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H+Na"	20.974666
"1622855"	301.059466	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na-2H"	20.974666
"97560"	297.065863	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-H+Cl"	33.962126
"534440"	437.108263	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-H+Cl"	33.962126
"927344"	157.023463	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+Cl"	33.962126
"267285"	595.139002	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Cl"	34.969402
"660112"	875.223802	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+Cl"	34.969402
"1274381"	315.054202	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl"	34.969402
"16127"	597.118206	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H+K"	36.948606
"462333"	877.203006	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H+K"	36.948606
"836126"	317.033406	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H+K"	36.948606
"1558886"	317.033406	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K-2H"	36.948606
"948228"	325.082994	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+HCOOH"	44.998194
"366444"	605.167801	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+HCOOH-H"	44.998201
"351422"	619.183451	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Hac-H"	59.013851
"1500258"	339.098651	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Hac-H"	59.013851
"965614"	347.064951	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+NaCOOH"	66.980151
"114156"	315.054202	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2Cl"	69.938804
"553718"	455.096602	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2Cl"	69.938804
"1029450"	175.011802	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2Cl"	69.938804
"1249393"	359.003685	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Br"	78.918885
"1314758"	361.059672	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl+HCOOH"	80.974872
"1325695"	383.041629	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl+NaCOOH"	102.956829
"914202"	393.070386	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+CF3COOH"	112.985586
"1290906"	429.047064	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl+CF3COOH"	148.962264
"1368702"	245.072124	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H-2H2O"	-35.012676
"1384740"	263.0821	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H-H2O"	-17.0027
"285156"	561.176876	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H"	1.007276
"676240"	841.261676	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H"	1.007276
"1352835"	281.092076	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H"	1.007276
"127548"	281.092076	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2H"	2.014552
"565780"	421.134476	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2H"	2.014552
"1037154"	141.049676	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2H"	2.014552
"205755"	187.730476	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+3H"	3.021828
"644708"	281.092076	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+3H"	3.021828
"1164902"	94.368876	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+3H"	3.021828
"425501"	578.203423	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+NH4"	18.033823
"787225"	858.288223	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+NH4"	18.033823
"1683921"	298.118623	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+NH4"	18.033823
"331227"	289.6053495	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H+NH4"	19.041099
"724986"	429.6477495	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H+NH4"	19.041099
"1482814"	149.5629495	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+NH4"	19.041099
"396026"	583.158818	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Na"	22.989218
"757385"	863.243618	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+Na"	22.989218
"1603539"	303.074018	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na"	22.989218
"318436"	292.083047	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H+Na"	23.996494
"709764"	432.125447	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H+Na"	23.996494
"1461415"	152.040647	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+Na"	23.996494
"1055736"	101.69619	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2H+Na"	25.00377
"1261059"	313.118286	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+CH3OH+H"	33.033486
"377522"	599.132758	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+K"	38.963158
"740265"	879.217558	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+K"	38.963158
"1541958"	319.047958	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K"	38.963158
"303876"	300.070017	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H+K"	39.970434
"696298"	440.112417	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H+K"	39.970434
"1449022"	160.027617	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+K"	39.970434
"247473"	602.203426	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+ACN+H"	42.033826
"1223465"	322.118626	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+ACN+H"	42.033826
"1207717"	161.562951	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+ACN+2H"	43.041102
"200222"	605.14076	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2Na-H"	44.97116
"638689"	885.22556	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2Na-H"	44.97116
"1140004"	325.05596	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2Na-H"	44.97116
"181106"	303.074018	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2Na"	45.978436
"622854"	443.116418	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2Na"	45.978436
"1126361"	163.031618	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2Na"	45.978436
"1407697"	109.023504	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+2Na"	46.985712
"1439817"	327.097546	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+HCOOH"	47.012746
"228418"	308.10704	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+3H2O+2H"	56.04448
"1515386"	341.14959	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+IsoProp+H"	61.06479
"411794"	311.060988	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Na+K"	61.952376
"772059"	451.103388	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+Na+K"	61.952376
"1669485"	171.018588	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na+K"	61.952376
"262200"	624.185368	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+ACN+Na"	64.015768
"1236003"	344.100568	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+ACN+Na"	64.015768
"1724891"	344.124093	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+NH4+HCOOH"	64.039293
"1192430"	116.350818	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+3Na"	68.967654
"1664511"	349.079488	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na+HCOOH"	68.994688
"165902"	637.08864	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2K-H"	76.91904
"607650"	917.17344	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2K-H"	76.91904
"1094349"	357.00384	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2K-H"	76.91904
"148977"	319.047958	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2K"	77.926316
"591819"	459.090358	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2K"	77.926316
"1069769"	179.005558	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2K"	77.926316
"1101883"	359.018392	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2K+H"	78.933592
"1336930"	359.106007	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+DMSO+H"	79.021207
"1011181"	363.145176	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2ACN+H"	83.060376
"1527116"	364.138808	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+IsoProp+Na+H"	84.054008
"991738"	182.076226	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2ACN+2H"	84.067652
"1590619"	365.053428	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K+HCOOH"	84.968628
"1415917"	395.084938	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+CF3COOH"	115.000138
"1148030"	202.589501	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+3ACN+2H"	125.094202
"1697338"	412.111485	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+NH4+CF3COOH"	132.026685
"1636879"	417.06688	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na+CF3COOH"	136.98208
"1583469"	433.04082	"C20282"	"1-(4-Hydroxyphenylazo)-naphthalene-26-diol;46-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K+CF3COOH"	152.95602
"809462"	280.0848	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M"	0
"977527"	261.06641	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H2O-H"	-19.01839
"70143"	185.715924	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-3H"	-3.021828
"505694"	279.077524	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-3H"	-3.021828
"880210"	92.354324	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-3H"	-3.021828
"10458"	279.077524	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H"	-2.014552
"453299"	419.119924	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H"	-2.014552
"830009"	139.035124	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H"	-2.014552
"91093"	559.162324	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-H"	-1.007276
"530659"	839.247124	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-H"	-1.007276
"901899"	279.077524	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H"	-1.007276
"48620"	576.188871	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H+NH4"	16.019271
"495833"	856.273671	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H+NH4"	16.019271
"865611"	296.104071	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H+NH4"	16.019271
"32909"	581.144266	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H+Na"	20.974666
"472708"	861.229066	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H+Na"	20.974666
"849781"	301.059466	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H+Na"	20.974666
"1622965"	301.059466	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na-2H"	20.974666
"97306"	297.065863	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-H+Cl"	33.962126
"534635"	437.108263	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-H+Cl"	33.962126
"927076"	157.023463	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+Cl"	33.962126
"267354"	595.139002	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Cl"	34.969402
"660548"	875.223802	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+Cl"	34.969402
"1273884"	315.054202	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl"	34.969402
"16277"	597.118206	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M-2H+K"	36.948606
"461350"	877.203006	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M-2H+K"	36.948606
"835872"	317.033406	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-2H+K"	36.948606
"1559362"	317.033406	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K-2H"	36.948606
"945421"	325.082994	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+HCOOH"	44.998194
"364367"	605.167801	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+HCOOH-H"	44.998201
"350439"	619.183451	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Hac-H"	59.013851
"1499275"	339.098651	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Hac-H"	59.013851
"964631"	347.064951	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+NaCOOH"	66.980151
"111716"	315.054202	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2Cl"	69.938804
"551641"	455.096602	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2Cl"	69.938804
"1031746"	175.011802	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2Cl"	69.938804
"1249139"	359.003685	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Br"	78.918885
"1314868"	361.059672	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl+HCOOH"	80.974872
"1325805"	383.041629	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl+NaCOOH"	102.956829
"916498"	393.070386	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M-H+CF3COOH"	112.985586
"1291019"	429.047064	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Cl+CF3COOH"	148.962264
"1367596"	245.072124	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H-2H2O"	-35.012676
"1384851"	263.0821	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H-H2O"	-17.0027
"284174"	561.176876	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H"	1.007276
"676230"	841.261676	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H"	1.007276
"1352581"	281.092076	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H"	1.007276
"128025"	281.092076	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2H"	2.014552
"565724"	421.134476	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2H"	2.014552
"1037469"	141.049676	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2H"	2.014552
"207930"	187.730476	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+3H"	3.021828
"644819"	281.092076	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+3H"	3.021828
"1167806"	94.368876	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+3H"	3.021828
"426705"	578.203423	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+NH4"	18.033823
"789886"	858.288223	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+NH4"	18.033823
"1686217"	298.118623	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+NH4"	18.033823
"335590"	289.6053495	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H+NH4"	19.041099
"725825"	429.6477495	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H+NH4"	19.041099
"1485111"	149.5629495	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+NH4"	19.041099
"396500"	583.158818	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Na"	22.989218
"759318"	863.243618	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+Na"	22.989218
"1606324"	303.074018	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na"	22.989218
"319640"	292.083047	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H+Na"	23.996494
"710968"	432.125447	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H+Na"	23.996494
"1468068"	152.040647	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+Na"	23.996494
"1055118"	101.69619	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2H+Na"	25.00377
"1262991"	313.118286	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+CH3OH+H"	33.033486
"379742"	599.132758	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+K"	38.963158
"742197"	879.217558	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+K"	38.963158
"1543887"	319.047958	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K"	38.963158
"302163"	300.070017	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+H+K"	39.970434
"694220"	440.112417	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+H+K"	39.970434
"1450223"	160.027617	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+K"	39.970434
"244303"	602.203426	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+ACN+H"	42.033826
"1223209"	322.118626	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+ACN+H"	42.033826
"1206004"	161.562951	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+ACN+2H"	43.041102
"200332"	605.14076	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2Na-H"	44.97116
"637706"	885.22556	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2Na-H"	44.97116
"1140114"	325.05596	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2Na-H"	44.97116
"181216"	303.074018	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2Na"	45.978436
"619683"	443.116418	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2Na"	45.978436
"1124283"	163.031618	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2Na"	45.978436
"1404526"	109.023504	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+2Na"	46.985712
"1433362"	327.097546	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+HCOOH"	47.012746
"226340"	308.10704	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+3H2O+2H"	56.04448
"1512214"	341.14959	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+IsoProp+H"	61.06479
"409349"	311.060988	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+Na+K"	61.952376
"771077"	451.103388	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+Na+K"	61.952376
"1669595"	171.018588	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na+K"	61.952376
"260124"	624.185368	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+ACN+Na"	64.015768
"1235020"	344.100568	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+ACN+Na"	64.015768
"1723907"	344.124093	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+NH4+HCOOH"	64.039293
"1191446"	116.350818	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+3Na"	68.967654
"1663527"	349.079488	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na+HCOOH"	68.994688
"170388"	637.08864	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2K-H"	76.91904
"609947"	917.17344	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2K-H"	76.91904
"1093365"	357.00384	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2K-H"	76.91904
"150181"	319.047958	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"2M+2K"	77.926316
"591930"	459.090358	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"3M+2K"	77.926316
"1082641"	179.005558	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2K"	77.926316
"1107463"	359.018392	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2K+H"	78.933592
"1338745"	359.106007	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+DMSO+H"	79.021207
"1007275"	363.145176	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2ACN+H"	83.060376
"1527226"	364.138808	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+IsoProp+Na+H"	84.054008
"990510"	182.076226	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+2ACN+2H"	84.067652
"1589272"	365.053428	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K+HCOOH"	84.968628
"1416027"	395.084938	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+H+CF3COOH"	115.000138
"1148868"	202.589501	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+3ACN+2H"	125.094202
"1698420"	412.111485	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+NH4+CF3COOH"	132.026685
"1636989"	417.06688	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+Na+CF3COOH"	136.98208
"1583579"	433.04082	"C20283"	"1-(34-Dihydroxyphenylazo)-2-naphthol;34-diOH-Sudan I"	"C16H12N2O3"	"280.0848"	"M+K+CF3COOH"	152.95602
"811760"	105.0453	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M"	0
"984198"	86.02691	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-H2O-H"	-19.01839
"73536"	69.022924	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M-3H"	-3.021828
"505440"	104.038024	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M-3H"	-3.021828
"882147"	34.007824	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-3H"	-3.021828
"7286"	104.038024	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M-2H"	-2.014552
"451222"	156.560674	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M-2H"	-2.014552
"831579"	51.515374	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-2H"	-2.014552
"91203"	209.083324	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M-H"	-1.007276
"532714"	314.128624	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M-H"	-1.007276
"908569"	104.038024	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-H"	-1.007276
"54197"	226.109871	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M-2H+NH4"	16.019271
"494850"	331.155171	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M-2H+NH4"	16.019271
"866452"	121.064571	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-2H+NH4"	16.019271
"33994"	231.065266	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M-2H+Na"	20.974666
"473913"	336.110566	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M-2H+Na"	20.974666
"851350"	126.019966	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-2H+Na"	20.974666
"1629637"	126.019966	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Na-2H"	20.974666
"99605"	122.026363	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M-H+Cl"	33.962126
"536978"	174.549013	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M-H+Cl"	33.962126
"929398"	69.503713	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-H+Cl"	33.962126
"269047"	245.060002	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+Cl"	34.969402
"663657"	350.105302	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+Cl"	34.969402
"1277154"	140.014702	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Cl"	34.969402
"21899"	247.039206	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M-2H+K"	36.948606
"460366"	352.084506	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M-2H+K"	36.948606
"840357"	141.993906	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-2H+K"	36.948606
"1563849"	141.993906	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+K-2H"	36.948606
"949544"	150.043494	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-H+HCOOH"	44.998194
"366663"	255.088801	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+HCOOH-H"	44.998201
"354923"	269.104451	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+Hac-H"	59.013851
"1497928"	164.059151	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Hac-H"	59.013851
"960367"	172.025451	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-H+NaCOOH"	66.980151
"114017"	140.014702	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+2Cl"	69.938804
"552846"	192.537352	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+2Cl"	69.938804
"1030763"	87.492052	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2Cl"	69.938804
"1246697"	183.964185	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Br"	78.918885
"1306348"	186.020172	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Cl+HCOOH"	80.974872
"1324091"	208.002129	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Cl+NaCOOH"	102.956829
"916244"	218.030886	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M-H+CF3COOH"	112.985586
"1290275"	254.007564	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Cl+CF3COOH"	148.962264
"1367502"	70.032624	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H-2H2O"	-35.012676
"1383744"	88.0426	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H-H2O"	-17.0027
"285014"	211.097876	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+H"	1.007276
"676338"	316.143176	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+H"	1.007276
"1354517"	106.052576	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H"	1.007276
"128863"	106.052576	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+2H"	2.014552
"568789"	158.575226	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+2H"	2.014552
"1040505"	53.529926	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2H"	2.014552
"208404"	71.037476	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+3H"	3.021828
"644447"	106.052576	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+3H"	3.021828
"1165001"	36.022376	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+3H"	3.021828
"425356"	228.124423	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+NH4"	18.033823
"787809"	333.169723	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+NH4"	18.033823
"1685233"	123.079123	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+NH4"	18.033823
"330956"	114.5658495	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+H+NH4"	19.041099
"730307"	167.0884995	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+H+NH4"	19.041099
"1481941"	62.0431995	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H+NH4"	19.041099
"396246"	233.079818	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+Na"	22.989218
"757240"	338.125118	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+Na"	22.989218
"1605460"	128.034518	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Na"	22.989218
"318656"	117.043547	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+H+Na"	23.996494
"711079"	169.566197	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+H+Na"	23.996494
"1467085"	64.520897	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H+Na"	23.996494
"1055228"	43.34969	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2H+Na"	25.00377
"1260917"	138.078786	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+CH3OH+H"	33.033486
"379492"	249.053758	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+K"	38.963158
"744860"	354.099058	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+K"	38.963158
"1543270"	144.008458	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+K"	38.963158
"303002"	125.030517	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+H+K"	39.970434
"696521"	177.553167	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+H+K"	39.970434
"1448153"	72.507867	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H+K"	39.970434
"244413"	252.124426	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+ACN+H"	42.033826
"1211654"	147.079126	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+ACN+H"	42.033826
"1199912"	74.043201	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+ACN+2H"	43.041102
"198251"	255.06176	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+2Na-H"	44.97116
"638905"	360.10706	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+2Na-H"	44.97116
"1138037"	150.01646	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2Na-H"	44.97116
"175860"	128.034518	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+2Na"	45.978436
"617608"	180.557168	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+2Na"	45.978436
"1118926"	75.511868	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2Na"	45.978436
"1406825"	50.677004	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H+2Na"	46.985712
"1436756"	152.058046	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H+HCOOH"	47.012746
"221712"	133.06754	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+3H2O+2H"	56.04448
"1509652"	166.11009	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+IsoProp+H"	61.06479
"409581"	136.021488	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+Na+K"	61.952376
"774104"	188.544138	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+Na+K"	61.952376
"1666544"	83.498838	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Na+K"	61.952376
"258047"	274.106368	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+ACN+Na"	64.015768
"1231852"	169.061068	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+ACN+Na"	64.015768
"1720736"	169.084593	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+NH4+HCOOH"	64.039293
"1184267"	58.004318	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+3Na"	68.967654
"1660358"	174.039988	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Na+HCOOH"	68.994688
"168311"	287.00964	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+2K-H"	76.91904
"607870"	392.05494	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+2K-H"	76.91904
"1093477"	181.96434	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2K-H"	76.91904
"142754"	144.008458	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"2M+2K"	77.926316
"590945"	196.531108	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"3M+2K"	77.926316
"1069502"	91.485808	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2K"	77.926316
"1103198"	183.978892	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2K+H"	78.933592
"1338125"	184.066507	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+DMSO+H"	79.021207
"1010304"	188.105676	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2ACN+H"	83.060376
"1526243"	189.099308	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+IsoProp+Na+H"	84.054008
"993058"	94.556476	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+2ACN+2H"	84.067652
"1589747"	190.013928	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+K+HCOOH"	84.968628
"1419417"	220.045438	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+H+CF3COOH"	115.000138
"1152992"	115.069751	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+3ACN+2H"	125.094202
"1698169"	237.071985	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+NH4+CF3COOH"	132.026685
"1637101"	242.02738	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+Na+CF3COOH"	136.98208
"1583689"	258.00132	"C20284"	"Benzenediazonium;Benzenediazonium ion"	"C6H5N2"	"105.0453"	"M+K+CF3COOH"	152.95602
"812963"	211.0997	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M"	0
"984309"	192.08131	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-H2O-H"	-19.01839
"72552"	139.725857333333	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M-3H"	-3.021828
"508830"	210.092424	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M-3H"	-3.021828
"883353"	69.3592906666667	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-3H"	-3.021828
"4116"	210.092424	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M-2H"	-2.014552
"454613"	315.642274	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M-2H"	-2.014552
"828039"	104.542574	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-2H"	-2.014552
"91313"	421.192124	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M-H"	-1.007276
"527599"	632.291824	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M-H"	-1.007276
"909411"	210.092424	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-H"	-1.007276
"57589"	438.218671	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M-2H+NH4"	16.019271
"494963"	649.318371	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M-2H+NH4"	16.019271
"872764"	227.118971	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-2H+NH4"	16.019271
"40664"	443.174066	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M-2H+Na"	20.974666
"474757"	654.273766	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M-2H+Na"	20.974666
"855839"	232.074366	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-2H+Na"	20.974666
"1629746"	232.074366	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Na-2H"	20.974666
"102996"	228.080763	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M-H+Cl"	33.962126
"540369"	333.630613	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M-H+Cl"	33.962126
"930603"	122.530913	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-H+Cl"	33.962126
"272439"	457.168802	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+Cl"	34.969402
"664861"	668.268502	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+Cl"	34.969402
"1278359"	246.069102	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Cl"	34.969402
"24196"	459.148006	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M-2H+K"	36.948606
"462663"	670.247706	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M-2H+K"	36.948606
"842655"	248.048306	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-2H+K"	36.948606
"1565051"	248.048306	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+K-2H"	36.948606
"949654"	256.097894	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-H+HCOOH"	44.998194
"371148"	467.197601	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+HCOOH-H"	44.998201
"351751"	481.213251	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+Hac-H"	59.013851
"1499857"	270.113551	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Hac-H"	59.013851
"961935"	278.079851	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-H+NaCOOH"	66.980151
"115951"	246.069102	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+2Cl"	69.938804
"551863"	351.618952	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+2Cl"	69.938804
"1025038"	140.519252	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2Cl"	69.938804
"1247901"	290.018585	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Br"	78.918885
"1307433"	292.074572	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Cl+HCOOH"	80.974872
"1323836"	314.056529	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Cl+NaCOOH"	102.956829
"913435"	324.085286	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M-H+CF3COOH"	112.985586
"1290263"	360.061964	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Cl+CF3COOH"	148.962264
"1367058"	176.087024	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H-2H2O"	-35.012676
"1383368"	194.097	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H-H2O"	-17.0027
"283208"	423.206676	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+H"	1.007276
"676693"	634.306376	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+H"	1.007276
"1356449"	212.106976	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H"	1.007276
"131160"	212.106976	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+2H"	2.014552
"570722"	317.656826	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+2H"	2.014552
"1043531"	106.557126	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2H"	2.014552
"210337"	141.740409333333	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+3H"	3.021828
"647715"	212.106976	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+3H"	3.021828
"1165839"	71.3738426666667	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+3H"	3.021828
"425344"	440.233223	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+NH4"	18.033823
"786947"	651.332923	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+NH4"	18.033823
"1687530"	229.133523	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+NH4"	18.033823
"335809"	220.6202495	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+H+NH4"	19.041099
"728230"	326.1700995	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+H+NH4"	19.041099
"1478771"	115.0703995	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H+NH4"	19.041099
"401823"	445.188618	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+Na"	22.989218
"760632"	656.288318	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+Na"	22.989218
"1613104"	234.088918	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Na"	22.989218
"320954"	223.097947	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+H+Na"	23.996494
"713375"	328.647797	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+H+Na"	23.996494
"1466102"	117.548097	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H+Na"	23.996494
"1057162"	78.7011566666667	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2H+Na"	25.00377
"1264307"	244.133186	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+CH3OH+H"	33.033486
"379601"	461.162558	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+K"	38.963158
"742052"	672.262258	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+K"	38.963158
"1542285"	250.062858	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+K"	38.963158
"304206"	231.084917	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+H+K"	39.970434
"699910"	336.634767	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+H+K"	39.970434
"1451545"	125.535067	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H+K"	39.970434
"244523"	464.233226	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+ACN+H"	42.033826
"1215045"	253.133526	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+ACN+H"	42.033826
"1205490"	127.070401	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+ACN+2H"	43.041102
"198361"	467.17056	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+2Na-H"	44.97116
"641934"	678.27026	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+2Na-H"	44.97116
"1132193"	256.07086	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2Na-H"	44.97116
"175240"	234.088918	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+2Na"	45.978436
"616624"	339.638768	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+2Na"	45.978436
"1116279"	128.539068	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2Na"	45.978436
"1404748"	86.0284706666667	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H+2Na"	46.985712
"1436866"	258.112446	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H+HCOOH"	47.012746
"224375"	239.12194	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+3H2O+2H"	56.04448
"1509518"	272.16449	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+IsoProp+H"	61.06479
"409567"	242.075888	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+Na+K"	61.952376
"772026"	347.625738	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+Na+K"	61.952376
"1669453"	136.526038	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Na+K"	61.952376
"255972"	486.215168	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+ACN+Na"	64.015768
"1230138"	275.115468	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+ACN+Na"	64.015768
"1718662"	275.138993	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+NH4+HCOOH"	64.039293
"1182921"	93.3557846666667	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+3Na"	68.967654
"1655364"	280.094388	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Na+HCOOH"	68.994688
"165139"	499.11844	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+2K-H"	76.91904
"600325"	710.21814	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+2K-H"	76.91904
"1090305"	288.01874	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2K-H"	76.91904
"142624"	250.062858	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"2M+2K"	77.926316
"582668"	355.612708	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"3M+2K"	77.926316
"1070830"	144.513008	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2K"	77.926316
"1101484"	290.033292	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2K+H"	78.933592
"1337870"	290.120907	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+DMSO+H"	79.021207
"1008227"	294.160076	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2ACN+H"	83.060376
"1525260"	295.153708	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+IsoProp+Na+H"	84.054008
"991711"	147.583676	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+2ACN+2H"	84.067652
"1591682"	296.068328	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+K+HCOOH"	84.968628
"1416250"	326.099838	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+H+CF3COOH"	115.000138
"1149818"	168.096951	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+3ACN+2H"	125.094202
"1699369"	343.126385	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+NH4+CF3COOH"	132.026685
"1637211"	348.08178	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+Na+CF3COOH"	136.98208
"1583799"	364.05572	"C20285"	"4-Acetylaminobiphenyl"	"C14H13NO"	"211.0997"	"M+K+CF3COOH"	152.95602
"811980"	240.1011	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M"	0
"981138"	221.08271	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-H2O-H"	-19.01839
"70476"	159.060124	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M-3H"	-3.021828
"507847"	239.093824	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M-3H"	-3.021828
"883463"	79.026424	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-3H"	-3.021828
"3133"	239.093824	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M-2H"	-2.014552
"451443"	359.144374	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M-2H"	-2.014552
"829242"	119.043274	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-2H"	-2.014552
"91423"	479.194924	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M-H"	-1.007276
"532813"	719.296024	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M-H"	-1.007276
"909520"	239.093824	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-H"	-1.007276
"57698"	496.221471	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M-2H+NH4"	16.019271
"497259"	736.322571	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M-2H+NH4"	16.019271
"869593"	256.120371	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-2H+NH4"	16.019271
"42961"	501.176866	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M-2H+Na"	20.974666
"474867"	741.277966	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M-2H+Na"	20.974666
"855949"	261.075766	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-2H+Na"	20.974666
"1629856"	261.075766	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Na-2H"	20.974666
"106386"	257.082163	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M-H+Cl"	33.962126
"543759"	377.132713	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M-H+Cl"	33.962126
"930713"	137.031613	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-H+Cl"	33.962126
"271456"	515.171602	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+Cl"	34.969402
"664971"	755.272702	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+Cl"	34.969402
"1276283"	275.070502	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Cl"	34.969402
"24306"	517.150806	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M-2H+K"	36.948606
"462773"	757.251906	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M-2H+K"	36.948606
"839485"	277.049706	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-2H+K"	36.948606
"1561881"	277.049706	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+K-2H"	36.948606
"949764"	285.099294	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-H+HCOOH"	44.998194
"371258"	525.200401	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+HCOOH-H"	44.998201
"350769"	539.216051	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+Hac-H"	59.013851
"1499967"	299.114951	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Hac-H"	59.013851
"963139"	307.081251	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-H+NaCOOH"	66.980151
"115698"	275.070502	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+2Cl"	69.938804
"554528"	395.121052	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+2Cl"	69.938804
"1028797"	155.019952	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2Cl"	69.938804
"1251656"	319.019985	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Br"	78.918885
"1315199"	321.075972	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Cl+HCOOH"	80.974872
"1328323"	343.057929	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Cl+NaCOOH"	102.956829
"917195"	353.086686	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M-H+CF3COOH"	112.985586
"1292808"	389.063364	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Cl+CF3COOH"	148.962264
"1369876"	205.088424	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H-2H2O"	-35.012676
"1383400"	223.0984	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H-H2O"	-17.0027
"286329"	481.209476	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+H"	1.007276
"678388"	721.310576	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+H"	1.007276
"1355831"	241.108376	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H"	1.007276
"132001"	241.108376	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+2H"	2.014552
"573748"	361.158926	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+2H"	2.014552
"1045828"	121.057826	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2H"	2.014552
"210447"	161.074676	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+3H"	3.021828
"650015"	241.108376	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+3H"	3.021828
"1166317"	81.040976	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+3H"	3.021828
"430317"	498.236023	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+NH4"	18.033823
"790217"	738.337123	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+NH4"	18.033823
"1686549"	258.134923	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+NH4"	18.033823
"337014"	249.6216495	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+H+NH4"	19.041099
"732715"	369.6721995	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+H+NH4"	19.041099
"1481070"	129.5710995	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H+NH4"	19.041099
"401935"	503.191418	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+Na"	22.989218
"765117"	743.292518	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+Na"	22.989218
"1608841"	263.090318	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Na"	22.989218
"321066"	252.099347	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+H+Na"	23.996494
"713486"	372.149897	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+H+Na"	23.996494
"1469492"	132.048797	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H+Na"	23.996494
"1058365"	88.36829	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2H+Na"	25.00377
"1262230"	273.134586	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+CH3OH+H"	33.033486
"378979"	519.165358	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+K"	38.963158
"741797"	759.266458	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+K"	38.963158
"1542396"	279.064258	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+K"	38.963158
"306502"	260.086317	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+H+K"	39.970434
"696740"	380.136867	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+H+K"	39.970434
"1450562"	140.035767	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H+K"	39.970434
"242446"	522.236026	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+ACN+H"	42.033826
"1215155"	282.134926	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+ACN+H"	42.033826
"1205600"	141.571101	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+ACN+2H"	43.041102
"199564"	525.17336	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+2Na-H"	44.97116
"641314"	765.27446	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+2Na-H"	44.97116
"1141539"	285.07226	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2Na-H"	44.97116
"177174"	263.090318	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+2Na"	45.978436
"616734"	383.140868	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+2Na"	45.978436
"1116471"	143.039768	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2Na"	45.978436
"1404858"	95.695604	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H+2Na"	46.985712
"1436976"	287.113846	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H+HCOOH"	47.012746
"226673"	268.12334	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+3H2O+2H"	56.04448
"1511819"	301.16589	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+IsoProp+H"	61.06479
"409680"	271.077288	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+Na+K"	61.952376
"771771"	391.127838	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+Na+K"	61.952376
"1673938"	151.026738	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Na+K"	61.952376
"256445"	544.217968	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+ACN+Na"	64.015768
"1232798"	304.116868	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+ACN+Na"	64.015768
"1718771"	304.140393	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+NH4+HCOOH"	64.039293
"1187041"	103.022918	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+3Na"	68.967654
"1659483"	309.095788	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Na+HCOOH"	68.994688
"164156"	557.12124	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+2K-H"	76.91904
"600070"	797.22234	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+2K-H"	76.91904
"1089321"	317.02014	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2K-H"	76.91904
"143586"	279.064258	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"2M+2K"	77.926316
"584604"	399.114808	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"3M+2K"	77.926316
"1069600"	159.013708	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2K"	77.926316
"1101231"	319.034692	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2K+H"	78.933592
"1339803"	319.122307	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+DMSO+H"	79.021207
"1006149"	323.161476	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2ACN+H"	83.060376
"1527560"	324.155108	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+IsoProp+Na+H"	84.054008
"995101"	162.084376	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+2ACN+2H"	84.067652
"1590698"	325.069728	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+K+HCOOH"	84.968628
"1417817"	355.101238	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+H+CF3COOH"	115.000138
"1149199"	182.597651	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+3ACN+2H"	125.094202
"1697657"	372.127785	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+NH4+CF3COOH"	132.026685
"1637321"	377.08318	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+Na+CF3COOH"	136.98208
"1583909"	393.05712	"C20286"	"2-Hydroxyamino-1-methyl-6-phenylimidazo45-bpyridine;2-Hydroxyamino-PhIP"	"C13H12N4O"	"240.1011"	"M+K+CF3COOH"	152.95602
"813183"	282.1117	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M"	0
"986716"	263.09331	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-H2O-H"	-19.01839
"68399"	187.067190666667	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M-3H"	-3.021828
"503068"	281.104424	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M-3H"	-3.021828
"880655"	93.0299573333333	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-3H"	-3.021828
"1420"	281.104424	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M-2H"	-2.014552
"444991"	422.160274	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M-2H"	-2.014552
"818781"	140.048574	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-2H"	-2.014552
"79623"	563.216124	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M-H"	-1.007276
"530008"	845.327824	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M-H"	-1.007276
"907806"	281.104424	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-H"	-1.007276
"57809"	580.242671	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M-2H+NH4"	16.019271
"498099"	862.354371	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M-2H+NH4"	16.019271
"875900"	298.130971	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-2H+NH4"	16.019271
"40885"	585.198066	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M-2H+Na"	20.974666
"473513"	867.309766	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M-2H+Na"	20.974666
"850223"	303.086366	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-2H+Na"	20.974666
"1632153"	303.086366	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Na-2H"	20.974666
"108321"	299.092763	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M-H+Cl"	33.962126
"547516"	440.148613	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M-H+Cl"	33.962126
"930824"	158.036913	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-H+Cl"	33.962126
"271568"	599.192802	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+Cl"	34.969402
"661802"	881.304502	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+Cl"	34.969402
"1274328"	317.081102	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Cl"	34.969402
"21136"	601.172006	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M-2H+K"	36.948606
"462883"	883.283706	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M-2H+K"	36.948606
"845063"	319.060306	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-2H+K"	36.948606
"1561991"	319.060306	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+K-2H"	36.948606
"948781"	327.109894	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-H+HCOOH"	44.998194
"371368"	609.221601	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+HCOOH-H"	44.998201
"353065"	623.237251	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+Hac-H"	59.013851
"1499713"	341.125551	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Hac-H"	59.013851
"963251"	349.091851	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-H+NaCOOH"	66.980151
"116172"	317.081102	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+2Cl"	69.938804
"553909"	458.136952	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+2Cl"	69.938804
"1027814"	176.025252	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2Cl"	69.938804
"1249580"	361.030585	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Br"	78.918885
"1314216"	363.086572	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Cl+HCOOH"	80.974872
"1322968"	385.068529	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Cl+NaCOOH"	102.956829
"920585"	395.097286	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M-H+CF3COOH"	112.985586
"1290004"	431.073964	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Cl+CF3COOH"	148.962264
"1367556"	247.099024	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H-2H2O"	-35.012676
"1383472"	265.109	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H-H2O"	-17.0027
"289355"	565.230676	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+H"	1.007276
"675805"	847.342376	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+H"	1.007276
"1351519"	283.118976	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H"	1.007276
"126275"	283.118976	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+2H"	2.014552
"566323"	424.174826	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+2H"	2.014552
"1037553"	142.063126	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2H"	2.014552
"206185"	189.081742666667	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+3H"	3.021828
"649028"	283.118976	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+3H"	3.021828
"1169340"	95.0445093333333	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+3H"	3.021828
"428239"	582.257223	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+NH4"	18.033823
"791421"	864.368923	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+NH4"	18.033823
"1687753"	300.145523	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+NH4"	18.033823
"334939"	291.6322495	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+H+NH4"	19.041099
"729546"	432.6880995	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+H+NH4"	19.041099
"1485555"	150.5763995	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H+NH4"	19.041099
"399860"	587.212618	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+Na"	22.989218
"764134"	869.324318	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+Na"	22.989218
"1610047"	305.100918	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Na"	22.989218
"320083"	294.109947	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+H+Na"	23.996494
"715784"	435.165797	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+H+Na"	23.996494
"1471792"	153.054097	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H+Na"	23.996494
"1063941"	102.371823333333	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2H+Na"	25.00377
"1265621"	315.145186	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+CH3OH+H"	33.033486
"383103"	603.186558	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+K"	38.963158
"741912"	885.298258	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+K"	38.963158
"1540320"	321.074858	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+K"	38.963158
"305518"	302.096917	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+H+K"	39.970434
"696853"	443.152767	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+H+K"	39.970434
"1451766"	161.041067	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H+K"	39.970434
"245837"	606.257226	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+ACN+H"	42.033826
"1223285"	324.145526	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+ACN+H"	42.033826
"1200242"	162.576401	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+ACN+2H"	43.041102
"196392"	609.19456	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+2Na-H"	44.97116
"639235"	891.30626	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+2Na-H"	44.97116
"1133264"	327.08286	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2Na-H"	44.97116
"174246"	305.100918	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+2Na"	45.978436
"613807"	446.156768	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+2Na"	45.978436
"1117312"	164.045068	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2Na"	45.978436
"1399986"	109.699137333333	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H+2Na"	46.985712
"1436357"	329.124446	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H+HCOOH"	47.012746
"221556"	310.13394	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+3H2O+2H"	56.04448
"1511929"	343.17649	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+IsoProp+H"	61.06479
"410521"	313.087888	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+Na+K"	61.952376
"773704"	454.143738	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+Na+K"	61.952376
"1674048"	172.032038	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Na+K"	61.952376
"260566"	628.239168	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+ACN+Na"	64.015768
"1231089"	346.127468	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+ACN+Na"	64.015768
"1719975"	346.150993	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+NH4+HCOOH"	64.039293
"1178764"	117.026451333333	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+3Na"	68.967654
"1657407"	351.106388	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Na+HCOOH"	68.994688
"161350"	641.14244	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+2K-H"	76.91904
"602004"	923.25414	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+2K-H"	76.91904
"1090524"	359.03074	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2K-H"	76.91904
"142602"	321.074858	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"2M+2K"	77.926316
"585807"	462.130708	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"3M+2K"	77.926316
"1069228"	180.019008	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2K"	77.926316
"1102436"	361.045292	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2K+H"	78.933592
"1338819"	361.132907	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+DMSO+H"	79.021207
"1007108"	365.172076	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2ACN+H"	83.060376
"1526210"	366.165708	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+IsoProp+Na+H"	84.054008
"994118"	183.089676	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+2ACN+2H"	84.067652
"1587199"	367.080328	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+K+HCOOH"	84.968628
"1417566"	397.111838	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+H+CF3COOH"	115.000138
"1149312"	203.602951	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+3ACN+2H"	125.094202
"1699593"	414.138385	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+NH4+CF3COOH"	132.026685
"1642900"	419.09378	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+Na+CF3COOH"	136.98208
"1584019"	435.06772	"C20287"	"2-Acetoxyamino-1-methyl-6-phenylimidazo45-bpyridine;N-Acetoxy-PhIP"	"C15H14N4O2"	"282.1117"	"M+K+CF3COOH"	152.95602
"813293"	320.0579	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M"	0
"985732"	301.03951	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-H2O-H"	-19.01839
"72882"	212.364657333333	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M-3H"	-3.021828
"503569"	319.050624	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M-3H"	-3.021828
"880641"	105.678690666667	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-3H"	-3.021828
"2259"	319.050624	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M-2H"	-2.014552
"448381"	479.079574	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M-2H"	-2.014552
"818527"	159.021674	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-2H"	-2.014552
"79977"	639.108524	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M-H"	-1.007276
"530118"	959.166424	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M-H"	-1.007276
"906096"	319.050624	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-H"	-1.007276
"57555"	656.135071	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M-2H+NH4"	16.019271
"498575"	976.192971	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M-2H+NH4"	16.019271
"874919"	336.077171	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-2H+NH4"	16.019271
"42817"	661.090466	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M-2H+Na"	20.974666
"472168"	981.148366	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M-2H+Na"	20.974666
"849607"	341.032566	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-2H+Na"	20.974666
"1632507"	341.032566	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Na-2H"	20.974666
"106976"	337.038963	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M-H+Cl"	33.962126
"547992"	497.067913	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M-H+Cl"	33.962126
"930934"	177.010013	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-H+Cl"	33.962126
"271678"	675.085202	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+Cl"	34.969402
"663005"	995.143102	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+Cl"	34.969402
"1274438"	355.027302	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Cl"	34.969402
"22339"	677.064406	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M-2H+K"	36.948606
"462993"	997.122306	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M-2H+K"	36.948606
"845173"	357.006506	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-2H+K"	36.948606
"1562102"	357.006506	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+K-2H"	36.948606
"951077"	365.056094	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-H+HCOOH"	44.998194
"370385"	685.114001	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+HCOOH-H"	44.998201
"352082"	699.129651	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+Hac-H"	59.013851
"1500917"	379.071751	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Hac-H"	59.013851
"962266"	387.038051	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-H+NaCOOH"	66.980151
"116282"	355.027302	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+2Cl"	69.938804
"554017"	515.056252	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+2Cl"	69.938804
"1027924"	194.998352	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2Cl"	69.938804
"1249690"	398.976785	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Br"	78.918885
"1316513"	401.032772	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Cl+HCOOH"	80.974872
"1325266"	423.014729	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Cl+NaCOOH"	102.956829
"913406"	433.043486	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M-H+CF3COOH"	112.985586
"1290843"	469.020164	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Cl+CF3COOH"	148.962264
"1372285"	285.045224	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H-2H2O"	-35.012676
"1386500"	303.0552	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H-H2O"	-17.0027
"291652"	641.123076	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+H"	1.007276
"677149"	961.180976	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+H"	1.007276
"1356051"	321.065176	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H"	1.007276
"126265"	321.065176	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+2H"	2.014552
"567406"	481.094126	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+2H"	2.014552
"1043861"	161.036226	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2H"	2.014552
"210668"	214.379209333333	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+3H"	3.021828
"650233"	321.065176	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+3H"	3.021828
"1166170"	107.693242666667	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+3H"	3.021828
"426163"	658.149623	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+NH4"	18.033823
"791531"	978.207523	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+NH4"	18.033823
"1690049"	338.091723	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+NH4"	18.033823
"336142"	329.5784495	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+H+NH4"	19.041099
"730750"	489.6073995	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+H+NH4"	19.041099
"1485665"	169.5494995	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H+NH4"	19.041099
"398875"	663.105018	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+Na"	22.989218
"763149"	983.162918	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+Na"	22.989218
"1612343"	343.047118	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Na"	22.989218
"319098"	332.056147	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+H+Na"	23.996494
"713706"	492.085097	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+H+Na"	23.996494
"1465339"	172.027197	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H+Na"	23.996494
"1060771"	115.020556666667	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2H+Na"	25.00377
"1262451"	353.091386	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+CH3OH+H"	33.033486
"378839"	679.078958	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+K"	38.963158
"740929"	999.136858	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+K"	38.963158
"1540065"	359.021058	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+K"	38.963158
"306356"	340.043117	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+H+K"	39.970434
"698050"	500.072067	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+H+K"	39.970434
"1450782"	180.014167	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H+K"	39.970434
"245947"	682.149626	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+ACN+H"	42.033826
"1222913"	362.091726	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+ACN+H"	42.033826
"1203632"	181.549501	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+ACN+2H"	43.041102
"196503"	685.08696	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+2Na-H"	44.97116
"640074"	1005.14486	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+2Na-H"	44.97116
"1142125"	365.02906	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2Na-H"	44.97116
"182862"	343.047118	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+2Na"	45.978436
"615132"	503.076068	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+2Na"	45.978436
"1117422"	183.018168	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2Na"	45.978436
"1401799"	122.347870666667	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H+2Na"	46.985712
"1435010"	367.070646	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H+HCOOH"	47.012746
"222518"	348.08014	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+3H2O+2H"	56.04448
"1512039"	381.12269	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+IsoProp+H"	61.06479
"410631"	351.034088	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+Na+K"	61.952376
"773814"	511.063038	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+Na+K"	61.952376
"1667593"	191.005138	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Na+K"	61.952376
"259583"	704.131568	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+ACN+Na"	64.015768
"1233385"	384.073668	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+ACN+Na"	64.015768
"1713156"	384.097193	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+NH4+HCOOH"	64.039293
"1178788"	129.675184666667	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+3Na"	68.967654
"1655330"	389.052588	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Na+HCOOH"	68.994688
"162189"	717.03484	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+2K-H"	76.91904
"600657"	1037.09274	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+2K-H"	76.91904
"1086625"	396.97694	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2K-H"	76.91904
"142713"	359.021058	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"2M+2K"	77.926316
"585188"	519.050008	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"3M+2K"	77.926316
"1069338"	198.992108	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2K"	77.926316
"1101816"	398.991492	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2K+H"	78.933592
"1338201"	399.079107	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+DMSO+H"	79.021207
"1007459"	403.118276	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2ACN+H"	83.060376
"1525227"	404.111908	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+IsoProp+Na+H"	84.054008
"996414"	202.062776	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+2ACN+2H"	84.067652
"1588730"	405.026528	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+K+HCOOH"	84.968628
"1417676"	435.058038	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+H+CF3COOH"	115.000138
"1147965"	222.576051	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+3ACN+2H"	125.094202
"1699703"	452.084585	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+NH4+CF3COOH"	132.026685
"1643010"	457.03998	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+Na+CF3COOH"	136.98208
"1584129"	473.01392	"C20288"	"N-Sulfonyloxy-PhIP"	"C13H12N4O4S"	"320.0579"	"M+K+CF3COOH"	152.95602
"816808"	214.0855	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M"	0
"989844"	195.06711	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-H2O-H"	-19.01839
"74085"	141.716390666667	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M-3H"	-3.021828
"510366"	213.078224	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M-3H"	-3.021828
"887073"	70.3545573333333	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-3H"	-3.021828
"6743"	213.078224	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M-2H"	-2.014552
"453596"	320.120974	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M-2H"	-2.014552
"829573"	106.035474	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-2H"	-2.014552
"91752"	427.163724	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M-H"	-1.007276
"530959"	641.249224	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M-H"	-1.007276
"907302"	213.078224	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-H"	-1.007276
"56574"	444.190271	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M-2H+NH4"	16.019271
"499051"	658.275771	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M-2H+NH4"	16.019271
"873206"	230.104771	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-2H+NH4"	16.019271
"43296"	449.145666	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M-2H+Na"	20.974666
"481758"	663.231166	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M-2H+Na"	20.974666
"860655"	235.060166	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-2H+Na"	20.974666
"1632376"	235.060166	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Na-2H"	20.974666
"107451"	231.066563	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M-H+Cl"	33.962126
"547376"	338.109313	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M-H+Cl"	33.962126
"937606"	124.023813	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-H+Cl"	33.962126
"279809"	463.140402	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+Cl"	34.969402
"668584"	677.225902	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+Cl"	34.969402
"1286092"	249.054902	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Cl"	34.969402
"26826"	465.119606	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M-2H+K"	36.948606
"465295"	679.205106	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M-2H+K"	36.948606
"845649"	251.034106	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-2H+K"	36.948606
"1562212"	251.034106	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+K-2H"	36.948606
"953375"	259.083694	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-H+HCOOH"	44.998194
"371588"	473.169201	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+HCOOH-H"	44.998201
"353290"	487.184851	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+Hac-H"	59.013851
"1502122"	273.099351	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Hac-H"	59.013851
"963109"	281.065651	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-H+NaCOOH"	66.980151
"117491"	249.054902	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+2Cl"	69.938804
"557048"	356.097652	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+2Cl"	69.938804
"1024755"	142.012152	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2Cl"	69.938804
"1248707"	293.004385	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Br"	78.918885
"1316623"	295.060372	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Cl+HCOOH"	80.974872
"1321002"	317.042329	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Cl+NaCOOH"	102.956829
"917527"	327.071086	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M-H+CF3COOH"	112.985586
"1298607"	363.047764	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Cl+CF3COOH"	148.962264
"1377861"	179.072824	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H-2H2O"	-35.012676
"1382817"	197.0828	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H-H2O"	-17.0027
"286300"	429.178276	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+H"	1.007276
"677626"	643.263776	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+H"	1.007276
"1356161"	215.092776	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H"	1.007276
"133424"	215.092776	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+2H"	2.014552
"572984"	322.135526	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+2H"	2.014552
"1045065"	108.050026	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2H"	2.014552
"209685"	143.730942666667	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+3H"	3.021828
"648158"	215.092776	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+3H"	3.021828
"1167375"	72.3691093333333	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+3H"	3.021828
"426273"	446.204823	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+NH4"	18.033823
"791642"	660.290323	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+NH4"	18.033823
"1685785"	232.119323	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+NH4"	18.033823
"335156"	223.6060495	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+H+NH4"	19.041099
"727577"	330.6487995	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+H+NH4"	19.041099
"1484678"	116.5632995	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H+NH4"	19.041099
"397890"	451.160218	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+Na"	22.989218
"761073"	665.245718	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+Na"	22.989218
"1606984"	237.074718	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Na"	22.989218
"317021"	226.083747	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+H+Na"	23.996494
"718191"	333.126497	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+H+Na"	23.996494
"1472011"	119.040997	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H+Na"	23.996494
"1058695"	79.6964233333333	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2H+Na"	25.00377
"1265841"	247.118986	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+CH3OH+H"	33.033486
"388790"	467.134158	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+K"	38.963158
"746506"	681.219658	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+K"	38.963158
"1546373"	253.048658	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+K"	38.963158
"306830"	234.070717	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+H+K"	39.970434
"698166"	341.113467	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+H+K"	39.970434
"1455268"	127.027967	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H+K"	39.970434
"246792"	470.204826	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+ACN+H"	42.033826
"1222414"	256.119326	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+ACN+H"	42.033826
"1204840"	128.563301	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+ACN+2H"	43.041102
"202693"	473.14216	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+2Na-H"	44.97116
"640917"	687.22766	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+2Na-H"	44.97116
"1144791"	259.05666	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2Na-H"	44.97116
"186990"	237.074718	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+2Na"	45.978436
"626066"	344.117468	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+2Na"	45.978436
"1129568"	130.031968	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2Na"	45.978436
"1411754"	87.0237373333333	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H+2Na"	46.985712
"1441683"	261.098246	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H+HCOOH"	47.012746
"231377"	242.10774	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+3H2O+2H"	56.04448
"1520173"	275.15029	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+IsoProp+H"	61.06479
"420952"	245.061688	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+Na+K"	61.952376
"780123"	352.104438	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+Na+K"	61.952376
"1677184"	138.018938	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Na+K"	61.952376
"259695"	492.186768	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+ACN+Na"	64.015768
"1236413"	278.101268	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+ACN+Na"	64.015768
"1723474"	278.124793	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+NH4+HCOOH"	64.039293
"1186642"	94.3510513333333	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+3Na"	68.967654
"1656536"	283.080188	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Na+HCOOH"	68.994688
"167770"	505.09004	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+2K-H"	76.91904
"598947"	719.17554	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+2K-H"	76.91904
"1086739"	291.00454	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2K-H"	76.91904
"144283"	253.048658	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"2M+2K"	77.926316
"584209"	360.091408	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"3M+2K"	77.926316
"1073095"	146.005908	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2K"	77.926316
"1102660"	293.019092	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2K+H"	78.933592
"1339045"	293.106707	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+DMSO+H"	79.021207
"1007452"	297.145876	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2ACN+H"	83.060376
"1530078"	298.139508	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+IsoProp+Na+H"	84.054008
"996528"	149.076576	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+2ACN+2H"	84.067652
"1588478"	299.054128	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+K+HCOOH"	84.968628
"1416690"	329.085638	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+H+CF3COOH"	115.000138
"1149529"	169.589851	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+3ACN+2H"	125.094202
"1697139"	346.112185	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+NH4+CF3COOH"	132.026685
"1639839"	351.06758	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+Na+CF3COOH"	136.98208
"1584239"	367.04152	"C20289"	"N-Hydroxy-IQ"	"C11H10N4O"	"214.0855"	"M+K+CF3COOH"	152.95602
"814605"	256.096	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M"	0
"987774"	237.07761	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-H2O-H"	-19.01839
"67635"	169.723390666667	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M-3H"	-3.021828
"508287"	255.088724	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M-3H"	-3.021828
"883902"	84.3580573333333	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-3H"	-3.021828
"6853"	255.088724	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M-2H"	-2.014552
"449695"	383.136724	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M-2H"	-2.014552
"823122"	127.040724	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-2H"	-2.014552
"87489"	511.184724	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M-H"	-1.007276
"528515"	767.280724	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M-H"	-1.007276
"905952"	255.088724	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-H"	-1.007276
"58869"	528.211271	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M-2H+NH4"	16.019271
"497702"	784.307271	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M-2H+NH4"	16.019271
"873315"	272.115271	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-2H+NH4"	16.019271
"45225"	533.166666	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M-2H+Na"	20.974666
"482964"	789.262666	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M-2H+Na"	20.974666
"861856"	277.070666	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-2H+Na"	20.974666
"1632732"	277.070666	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Na-2H"	20.974666
"107929"	273.077063	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M-H+Cl"	33.962126
"546393"	401.125063	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M-H+Cl"	33.962126
"937716"	145.029063	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-H+Cl"	33.962126
"279554"	547.161402	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+Cl"	34.969402
"668694"	803.257402	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+Cl"	34.969402
"1284380"	291.065402	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Cl"	34.969402
"24391"	549.140606	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M-2H+K"	36.948606
"467960"	805.236606	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M-2H+K"	36.948606
"844669"	293.044606	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-2H+K"	36.948606
"1565603"	293.044606	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+K-2H"	36.948606
"952393"	301.094194	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-H+HCOOH"	44.998194
"375711"	557.190201	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+HCOOH-H"	44.998201
"355586"	571.205851	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+Hac-H"	59.013851
"1503325"	315.109851	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Hac-H"	59.013851
"965405"	323.076151	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-H+NaCOOH"	66.980151
"115414"	291.065402	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+2Cl"	69.938804
"557158"	419.113402	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+2Cl"	69.938804
"1027051"	163.017402	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2Cl"	69.938804
"1247723"	335.014885	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Br"	78.918885
"1314546"	337.070872	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Cl+HCOOH"	80.974872
"1330952"	359.052829	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Cl+NaCOOH"	102.956829
"920917"	369.081586	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M-H+CF3COOH"	112.985586
"1298719"	405.058264	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Cl+CF3COOH"	148.962264
"1369591"	221.083324	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H-2H2O"	-35.012676
"1396562"	239.0933	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H-H2O"	-17.0027
"295155"	513.199276	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+H"	1.007276
"678100"	769.295276	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+H"	1.007276
"1356271"	257.103276	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H"	1.007276
"126608"	257.103276	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+2H"	2.014552
"573094"	385.151276	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+2H"	2.014552
"1045175"	129.055276	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2H"	2.014552
"206515"	171.737942666667	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+3H"	3.021828
"650454"	257.103276	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+3H"	3.021828
"1167485"	86.3726093333333	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+3H"	3.021828
"427477"	530.225823	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+NH4"	18.033823
"789565"	786.321823	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+NH4"	18.033823
"1686990"	274.129823	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+NH4"	18.033823
"334174"	265.6165495	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+H+NH4"	19.041099
"727688"	393.6645495	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+H+NH4"	19.041099
"1482602"	137.5685495	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H+NH4"	19.041099
"401282"	535.181218	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+Na"	22.989218
"765558"	791.277218	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+Na"	22.989218
"1611468"	279.085218	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Na"	22.989218
"321506"	268.094247	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+H+Na"	23.996494
"716114"	396.142247	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+H+Na"	23.996494
"1474309"	140.046247	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H+Na"	23.996494
"1063180"	93.6999233333333	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2H+Na"	25.00377
"1269233"	289.129486	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+CH3OH+H"	33.033486
"385622"	551.155158	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+K"	38.963158
"743335"	807.251158	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+K"	38.963158
"1543203"	295.059158	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+K"	38.963158
"301837"	276.081217	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+H+K"	39.970434
"699369"	404.129217	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+H+K"	39.970434
"1455378"	148.033217	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H+K"	39.970434
"248356"	554.225826	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+ACN+H"	42.033826
"1221064"	298.129826	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+ACN+H"	42.033826
"1202760"	149.568551	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+ACN+2H"	43.041102
"202195"	557.16316	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+2Na-H"	44.97116
"640661"	813.25916	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+2Na-H"	44.97116
"1141982"	301.06716	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2Na-H"	44.97116
"184177"	279.085218	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+2Na"	45.978436
"617176"	407.133218	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+2Na"	45.978436
"1127244"	151.037218	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2Na"	45.978436
"1409312"	101.027237333333	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H+2Na"	46.985712
"1439605"	303.108746	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H+HCOOH"	47.012746
"229300"	284.11824	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+3H2O+2H"	56.04448
"1518458"	317.16079	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+IsoProp+H"	61.06479
"417052"	287.072188	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+Na+K"	61.952376
"780232"	415.120188	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+Na+K"	61.952376
"1675471"	159.024188	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Na+K"	61.952376
"258712"	576.207768	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+ACN+Na"	64.015768
"1231419"	320.111768	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+ACN+Na"	64.015768
"1720305"	320.135293	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+NH4+HCOOH"	64.039293
"1186753"	108.354551333333	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+3Na"	68.967654
"1657740"	325.090688	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Na+HCOOH"	68.994688
"161319"	589.11104	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+2K-H"	76.91904
"599786"	845.20704	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+2K-H"	76.91904
"1085750"	333.01504	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2K-H"	76.91904
"142205"	295.059158	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"2M+2K"	77.926316
"583223"	423.107158	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"3M+2K"	77.926316
"1072838"	167.011158	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2K"	77.926316
"1102769"	335.029592	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2K+H"	78.933592
"1338786"	335.117207	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+DMSO+H"	79.021207
"1009502"	339.156376	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2ACN+H"	83.060376
"1526906"	340.150008	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+IsoProp+Na+H"	84.054008
"996635"	170.081826	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+2ACN+2H"	84.067652
"1593329"	341.064628	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+K+HCOOH"	84.968628
"1417892"	371.096138	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+H+CF3COOH"	115.000138
"1149275"	190.595101	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+3ACN+2H"	125.094202
"1698828"	388.122685	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+NH4+CF3COOH"	132.026685
"1639949"	393.07808	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+Na+CF3COOH"	136.98208
"1584349"	409.05202	"C20290"	"N-Acetoxy-IQ"	"C13H12N4O2"	"256.096"	"M+K+CF3COOH"	152.95602
"811435"	229.0964	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M"	0
"987156"	210.07801	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-H2O-H"	-19.01839
"67745"	151.723657333333	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M-3H"	-3.021828
"506212"	228.089124	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M-3H"	-3.021828
"882918"	75.3581906666667	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-3H"	-3.021828
"8056"	228.089124	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M-2H"	-2.014552
"449805"	342.637324	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M-2H"	-2.014552
"823232"	113.540924	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-2H"	-2.014552
"87599"	457.185524	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M-H"	-1.007276
"527168"	686.281924	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M-H"	-1.007276
"906061"	228.089124	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-H"	-1.007276
"57156"	474.212071	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M-2H+NH4"	16.019271
"497810"	703.308471	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M-2H+NH4"	16.019271
"873426"	245.115671	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-2H+NH4"	16.019271
"45696"	479.167466	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M-2H+Na"	20.974666
"480885"	708.263866	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M-2H+Na"	20.974666
"860873"	250.071066	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-2H+Na"	20.974666
"1631505"	250.071066	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Na-2H"	20.974666
"106578"	246.077463	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M-H+Cl"	33.962126
"545408"	360.625663	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M-H+Cl"	33.962126
"936732"	131.529263	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-H+Cl"	33.962126
"273101"	493.162202	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+Cl"	34.969402
"667711"	722.258602	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+Cl"	34.969402
"1285582"	264.065802	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Cl"	34.969402
"23768"	495.141406	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M-2H+K"	36.948606
"463327"	724.237806	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M-2H+K"	36.948606
"841131"	266.045006	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-2H+K"	36.948606
"1564619"	266.045006	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+K-2H"	36.948606
"951407"	274.094594	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-H+HCOOH"	44.998194
"372904"	503.191001	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+HCOOH-H"	44.998201
"352779"	517.206651	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+Hac-H"	59.013851
"1502342"	288.110251	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Hac-H"	59.013851
"965514"	296.076551	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-H+NaCOOH"	66.980151
"118804"	264.065802	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+2Cl"	69.938804
"557268"	378.614002	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+2Cl"	69.938804
"1028256"	149.517602	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2Cl"	69.938804
"1248926"	308.015285	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Br"	78.918885
"1313563"	310.071272	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Cl+HCOOH"	80.974872
"1328879"	332.053229	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Cl+NaCOOH"	102.956829
"925403"	342.081986	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M-H+CF3COOH"	112.985586
"1301017"	378.058664	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Cl+CF3COOH"	148.962264
"1379179"	194.083724	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H-2H2O"	-35.012676
"1389019"	212.0937	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H-H2O"	-17.0027
"291985"	459.200076	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+H"	1.007276
"683313"	688.296476	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+H"	1.007276
"1358568"	230.103676	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H"	1.007276
"129271"	230.103676	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+2H"	2.014552
"572111"	344.651876	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+2H"	2.014552
"1045285"	115.555476	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2H"	2.014552
"206625"	153.738209333333	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+3H"	3.021828
"649471"	230.103676	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+3H"	3.021828
"1166503"	77.3727426666667	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+3H"	3.021828
"427590"	476.226623	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+NH4"	18.033823
"790773"	705.323023	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+NH4"	18.033823
"1686009"	247.130223	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+NH4"	18.033823
"337566"	238.6169495	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+H+NH4"	19.041099
"728893"	353.1651495	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+H+NH4"	19.041099
"1484902"	124.0687495	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H+NH4"	19.041099
"402489"	481.182018	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+Na"	22.989218
"761296"	710.278418	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+Na"	22.989218
"1610487"	252.085618	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Na"	22.989218
"324897"	241.094647	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+H+Na"	23.996494
"717317"	355.642847	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+H+Na"	23.996494
"1472233"	126.546447	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H+Na"	23.996494
"1062195"	84.7000566666667	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2H+Na"	25.00377
"1264969"	262.129886	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+CH3OH+H"	33.033486
"385731"	497.155958	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+K"	38.963158
"744539"	726.252358	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+K"	38.963158
"1541489"	268.059558	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+K"	38.963158
"304865"	249.081617	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+H+K"	39.970434
"700574"	363.629817	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+H+K"	39.970434
"1453301"	134.533417	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H+K"	39.970434
"246277"	500.226626	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+ACN+H"	42.033826
"1223362"	271.130226	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+ACN+H"	42.033826
"1206150"	136.068751	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+ACN+2H"	43.041102
"203399"	503.16396	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+2Na-H"	44.97116
"641863"	732.26036	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+2Na-H"	44.97116
"1143185"	274.06756	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2Na-H"	44.97116
"184287"	252.085618	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+2Na"	45.978436
"618379"	366.633818	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+2Na"	45.978436
"1126260"	137.537418	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2Na"	45.978436
"1408693"	92.0273706666667	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H+2Na"	46.985712
"1441902"	276.109146	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H+HCOOH"	47.012746
"231597"	257.11864	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+3H2O+2H"	56.04448
"1519660"	290.16119	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+IsoProp+H"	61.06479
"419350"	260.072588	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+Na+K"	61.952376
"780343"	374.620788	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+Na+K"	61.952376
"1675580"	145.524388	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Na+K"	61.952376
"261008"	522.208568	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+ACN+Na"	64.015768
"1233717"	293.112168	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+ACN+Na"	64.015768
"1720415"	293.135693	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+NH4+HCOOH"	64.039293
"1190142"	99.3546846666667	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+3Na"	68.967654
"1655663"	298.091088	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Na+HCOOH"	68.994688
"160337"	535.11184	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+2K-H"	76.91904
"598559"	764.20824	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+2K-H"	76.91904
"1086225"	306.01544	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2K-H"	76.91904
"142679"	268.059558	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"2M+2K"	77.926316
"583335"	382.607758	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"3M+2K"	77.926316
"1072219"	153.511358	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2K"	77.926316
"1103609"	308.029992	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2K+H"	78.933592
"1339627"	308.117607	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+DMSO+H"	79.021207
"1009977"	312.156776	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2ACN+H"	83.060376
"1527015"	313.150408	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+IsoProp+Na+H"	84.054008
"996745"	156.582026	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+2ACN+2H"	84.067652
"1592346"	314.065028	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+K+HCOOH"	84.968628
"1415813"	344.096538	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+H+CF3COOH"	115.000138
"1150477"	177.095301	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+3ACN+2H"	125.094202
"1700030"	361.123085	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+NH4+CF3COOH"	132.026685
"1636779"	366.07848	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+Na+CF3COOH"	136.98208
"1584459"	382.05242	"C20291"	"N-Hydroxy-MeIQx"	"C11H11N5O"	"229.0964"	"M+K+CF3COOH"	152.95602
"814826"	74.097	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M"	0
"987266"	55.07861	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-H2O-H"	-19.01839
"70042"	48.390724	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M-3H"	-3.021828
"508508"	73.089724	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M-3H"	-3.021828
"886309"	23.691724	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-3H"	-3.021828
"7072"	73.089724	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M-2H"	-2.014552
"443351"	110.138224	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M-2H"	-2.014552
"820062"	36.041224	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-2H"	-2.014552
"85522"	147.186724	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M-H"	-1.007276
"521073"	221.283724	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M-H"	-1.007276
"908353"	73.089724	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-H"	-1.007276
"58355"	164.213271	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M-2H+NH4"	16.019271
"496821"	238.310271	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M-2H+NH4"	16.019271
"876814"	90.116271	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-2H+NH4"	16.019271
"45805"	169.168666	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M-2H+Na"	20.974666
"482089"	243.265666	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M-2H+Na"	20.974666
"860983"	95.071666	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-2H+Na"	20.974666
"1629428"	95.071666	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Na-2H"	20.974666
"105959"	91.078063	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M-H+Cl"	33.962126
"543331"	128.126563	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M-H+Cl"	33.962126
"936842"	54.029563	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-H+Cl"	33.962126
"273211"	183.163402	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+Cl"	34.969402
"668916"	257.260402	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+Cl"	34.969402
"1285692"	109.066402	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Cl"	34.969402
"23878"	185.142606	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M-2H+K"	36.948606
"462344"	259.239606	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M-2H+K"	36.948606
"841240"	111.045606	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-2H+K"	36.948606
"1562542"	111.045606	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+K-2H"	36.948606
"950425"	119.095194	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-H+HCOOH"	44.998194
"370827"	193.192201	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+HCOOH-H"	44.998201
"352889"	207.207851	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+Hac-H"	59.013851
"1501359"	133.110851	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Hac-H"	59.013851
"964895"	141.077151	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-H+NaCOOH"	66.980151
"114535"	109.066402	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+2Cl"	69.938804
"557376"	146.114902	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+2Cl"	69.938804
"1028366"	72.017902	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2Cl"	69.938804
"1250129"	153.015885	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Br"	78.918885
"1313672"	155.071872	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Cl+HCOOH"	80.974872
"1333360"	177.053829	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Cl+NaCOOH"	102.956829
"926241"	187.082586	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M-H+CF3COOH"	112.985586
"1296751"	223.059264	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Cl+CF3COOH"	148.962264
"1376005"	39.084324	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H-2H2O"	-35.012676
"1389129"	57.0943	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H-H2O"	-17.0027
"288815"	149.201276	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+H"	1.007276
"676863"	223.298276	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+H"	1.007276
"1358678"	75.104276	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H"	1.007276
"130474"	75.104276	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+2H"	2.014552
"572221"	112.152776	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+2H"	2.014552
"1045395"	38.055776	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2H"	2.014552
"207828"	50.405276	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+3H"	3.021828
"649581"	75.104276	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+3H"	3.021828
"1167706"	25.706276	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+3H"	3.021828
"433169"	166.227823	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+NH4"	18.033823
"795257"	240.324823	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+NH4"	18.033823
"1690494"	92.130823	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+NH4"	18.033823
"337676"	83.6175495	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+H+NH4"	19.041099
"731192"	120.6660495	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+H+NH4"	19.041099
"1486106"	46.5690495	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H+NH4"	19.041099
"404786"	171.183218	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+Na"	22.989218
"762499"	245.280218	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+Na"	22.989218
"1611690"	97.086218	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Na"	22.989218
"326100"	86.095247	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+H+Na"	23.996494
"717427"	123.143747	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+H+Na"	23.996494
"1474529"	49.046747	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H+Na"	23.996494
"1059025"	33.03359	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2H+Na"	25.00377
"1267267"	107.130486	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+CH3OH+H"	33.033486
"383654"	187.157158	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+K"	38.963158
"745742"	261.254158	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+K"	38.963158
"1540339"	113.060158	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+K"	38.963158
"307161"	94.082217	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+H+K"	39.970434
"702872"	131.130717	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+H+K"	39.970434
"1455598"	57.033717	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H+K"	39.970434
"239825"	190.227826	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+ACN+H"	42.033826
"1215815"	116.130826	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+ACN+H"	42.033826
"1203709"	58.569051	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+ACN+2H"	43.041102
"202413"	193.16516	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+2Na-H"	44.97116
"643068"	267.26216	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+2Na-H"	44.97116
"1145481"	119.06816	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2Na-H"	44.97116
"185855"	97.086218	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+2Na"	45.978436
"618853"	134.134718	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+2Na"	45.978436
"1127463"	60.037718	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2Na"	45.978436
"1412084"	40.360904	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H+2Na"	46.985712
"1443105"	121.109746	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H+HCOOH"	47.012746
"231707"	102.11924	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+3H2O+2H"	56.04448
"1516489"	135.16179	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+IsoProp+H"	61.06479
"418367"	105.073188	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+Na+K"	61.952376
"781182"	142.121688	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+Na+K"	61.952376
"1674597"	68.024688	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Na+K"	61.952376
"262210"	212.209768	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+ACN+Na"	64.015768
"1233827"	138.112768	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+ACN+Na"	64.015768
"1722712"	138.136293	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+NH4+HCOOH"	64.039293
"1190981"	47.688218	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+3Na"	68.967654
"1657960"	143.091688	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Na+HCOOH"	68.994688
"158380"	225.11304	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+2K-H"	76.91904
"598912"	299.21004	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+2K-H"	76.91904
"1085609"	151.01604	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2K-H"	76.91904
"142426"	113.060158	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"2M+2K"	77.926316
"583080"	150.108658	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"3M+2K"	77.926316
"1071237"	76.011658	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2K"	77.926316
"1102991"	153.030592	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2K+H"	78.933592
"1338281"	153.118207	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+DMSO+H"	79.021207
"1008994"	157.157376	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2ACN+H"	83.060376
"1525664"	158.151008	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+IsoProp+Na+H"	84.054008
"992480"	79.082326	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+2ACN+2H"	84.067652
"1595736"	159.065628	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+K+HCOOH"	84.968628
"1415074"	189.097138	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+H+CF3COOH"	115.000138
"1149495"	99.595601	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+3ACN+2H"	125.094202
"1699047"	206.123685	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+NH4+CF3COOH"	132.026685
"1636889"	211.07908	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+Na+CF3COOH"	136.98208
"1584569"	227.05302	"C20292"	"Tetramethylammonium;Tetramethylammonium ion"	"C4H12N"	"74.097"	"M+K+CF3COOH"	152.95602
"814572"	271.1069	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M"	0
"986283"	252.08851	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-H2O-H"	-19.01839
"70152"	179.730657333333	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M-3H"	-3.021828
"506432"	270.099624	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M-3H"	-3.021828
"891522"	89.3616906666667	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-3H"	-3.021828
"8275"	270.099624	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M-2H"	-2.014552
"443461"	405.653074	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M-2H"	-2.014552
"823452"	134.546174	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-2H"	-2.014552
"84539"	541.206524	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M-H"	-1.007276
"523370"	812.313424	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M-H"	-1.007276
"908463"	270.099624	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-H"	-1.007276
"57372"	558.233071	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M-2H+NH4"	16.019271
"496931"	829.339971	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M-2H+NH4"	16.019271
"873645"	287.126171	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-2H+NH4"	16.019271
"44822"	563.188466	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M-2H+Na"	20.974666
"483291"	834.295366	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M-2H+Na"	20.974666
"857814"	292.081566	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-2H+Na"	20.974666
"1630632"	292.081566	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Na-2H"	20.974666
"106434"	288.087963	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M-H+Cl"	33.962126
"543443"	423.641413	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M-H+Cl"	33.962126
"938046"	152.534513	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-H+Cl"	33.962126
"275509"	577.183202	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+Cl"	34.969402
"667933"	848.290102	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+Cl"	34.969402
"1282522"	306.076302	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Cl"	34.969402
"25085"	579.162406	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M-2H+K"	36.948606
"462453"	850.269306	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M-2H+K"	36.948606
"840257"	308.055506	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-2H+K"	36.948606
"1562653"	308.055506	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+K-2H"	36.948606
"949442"	316.105094	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-H+HCOOH"	44.998194
"370938"	587.212001	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+HCOOH-H"	44.998201
"352635"	601.227651	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+Hac-H"	59.013851
"1497458"	330.120751	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Hac-H"	59.013851
"961358"	338.087051	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-H+NaCOOH"	66.980151
"114645"	306.076302	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+2Cl"	69.938804
"557486"	441.629752	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+2Cl"	69.938804
"1028476"	170.522852	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2Cl"	69.938804
"1250239"	350.025785	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Br"	78.918885
"1312689"	352.081772	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Cl+HCOOH"	80.974872
"1334808"	374.063729	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Cl+NaCOOH"	102.956829
"926473"	384.092486	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M-H+CF3COOH"	112.985586
"1296861"	420.069164	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Cl+CF3COOH"	148.962264
"1382516"	236.094224	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H-2H2O"	-35.012676
"1394706"	254.1042	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H-H2O"	-17.0027
"297672"	543.221076	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+H"	1.007276
"685720"	814.327976	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+H"	1.007276
"1358788"	272.114176	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H"	1.007276
"133864"	272.114176	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+2H"	2.014552
"572331"	407.667626	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+2H"	2.014552
"1046599"	136.560726	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2H"	2.014552
"211219"	181.745209333333	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+3H"	3.021828
"649692"	272.114176	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+3H"	3.021828
"1166725"	91.3762426666667	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+3H"	3.021828
"429998"	560.247623	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+NH4"	18.033823
"790992"	831.354523	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+NH4"	18.033823
"1688417"	289.140723	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+NH4"	18.033823
"334509"	280.6274495	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+H+NH4"	19.041099
"728024"	416.1808995	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+H+NH4"	19.041099
"1487311"	145.0739995	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H+NH4"	19.041099
"402710"	565.203018	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+Na"	22.989218
"766984"	836.309918	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+Na"	22.989218
"1610708"	294.096118	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Na"	22.989218
"325117"	283.105147	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+H+Na"	23.996494
"718633"	418.658597	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+H+Na"	23.996494
"1470265"	147.551697	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H+Na"	23.996494
"1062417"	98.7035566666667	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2H+Na"	25.00377
"1268472"	304.140386	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+CH3OH+H"	33.033486
"383765"	581.176958	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+K"	38.963158
"742936"	852.283858	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+K"	38.963158
"1540854"	310.070058	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+K"	38.963158
"299737"	291.092117	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+H+K"	39.970434
"700793"	426.645567	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+H+K"	39.970434
"1450240"	155.538667	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H+K"	39.970434
"238842"	584.247626	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+ACN+H"	42.033826
"1214832"	313.140726	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+ACN+H"	42.033826
"1203089"	157.074001	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+ACN+2H"	43.041102
"198514"	587.18496	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+2Na-H"	44.97116
"640627"	858.29186	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+2Na-H"	44.97116
"1144133"	316.07806	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2Na-H"	44.97116
"184143"	294.096118	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+2Na"	45.978436
"618962"	429.649568	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+2Na"	45.978436
"1124293"	158.542668	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2Na"	45.978436
"1406725"	106.030870666667	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H+2Na"	46.985712
"1439935"	318.119646	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H+HCOOH"	47.012746
"227443"	299.12914	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+3H2O+2H"	56.04448
"1516598"	332.17169	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+IsoProp+H"	61.06479
"415193"	302.083088	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+Na+K"	61.952376
"779470"	437.636538	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+Na+K"	61.952376
"1674706"	166.529638	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Na+K"	61.952376
"256853"	606.229568	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+ACN+Na"	64.015768
"1233937"	335.122668	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+ACN+Na"	64.015768
"1720637"	335.146193	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+NH4+HCOOH"	64.039293
"1187082"	113.358184666667	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+3Na"	68.967654
"1656977"	340.101588	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Na+HCOOH"	68.994688
"160679"	619.13284	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+2K-H"	76.91904
"601211"	890.23974	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+2K-H"	76.91904
"1085358"	348.02594	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2K-H"	76.91904
"142535"	310.070058	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"2M+2K"	77.926316
"582220"	445.623508	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"3M+2K"	77.926316
"1071711"	174.516608	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2K"	77.926316
"1101278"	350.040492	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2K+H"	78.933592
"1337662"	350.128107	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+DMSO+H"	79.021207
"1007649"	354.167276	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2ACN+H"	83.060376
"1526503"	355.160908	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+IsoProp+Na+H"	84.054008
"992590"	177.587276	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+2ACN+2H"	84.067652
"1594753"	356.075528	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+K+HCOOH"	84.968628
"1419320"	386.107038	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+H+CF3COOH"	115.000138
"1150698"	198.100551	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+3ACN+2H"	125.094202
"1701344"	403.133585	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+NH4+CF3COOH"	132.026685
"1636999"	408.08898	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+Na+CF3COOH"	136.98208
"1584679"	424.06292	"C20293"	"N-Acetoxy-MeIQx"	"C13H13N5O2"	"271.1069"	"M+K+CF3COOH"	152.95602
"814318"	51.9405	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M"	0
"988459"	32.92211	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-H2O-H"	-19.01839
"72449"	33.619724	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M-3H"	-3.021828
"506542"	50.933224	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M-3H"	-3.021828
"889811"	16.306224	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-3H"	-3.021828
"6198"	50.933224	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M-2H"	-2.014552
"443571"	76.903474	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M-2H"	-2.014552
"823562"	24.962974	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-2H"	-2.014552
"82461"	102.873724	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M-H"	-1.007276
"520929"	154.814224	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M-H"	-1.007276
"906386"	50.933224	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-H"	-1.007276
"55294"	119.900271	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M-2H+NH4"	16.019271
"495948"	171.840771	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M-2H+NH4"	16.019271
"871568"	67.959771	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-2H+NH4"	16.019271
"39466"	124.855666	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M-2H+Na"	20.974666
"481945"	176.796166	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M-2H+Na"	20.974666
"857924"	72.915166	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-2H+Na"	20.974666
"1627463"	72.915166	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Na-2H"	20.974666
"104722"	68.921563	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M-H+Cl"	33.962126
"543554"	94.891813	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M-H+Cl"	33.962126
"936336"	42.951313	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-H+Cl"	33.962126
"276712"	138.850402	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+Cl"	34.969402
"667314"	190.790902	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+Cl"	34.969402
"1279353"	86.909902	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Cl"	34.969402
"27380"	140.829606	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M-2H+K"	36.948606
"462563"	192.770106	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M-2H+K"	36.948606
"841095"	88.889106	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-2H+K"	36.948606
"1562033"	88.889106	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+K-2H"	36.948606
"949185"	96.938694	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-H+HCOOH"	44.998194
"373234"	148.879201	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+HCOOH-H"	44.998201
"353839"	162.894851	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+Hac-H"	59.013851
"1500488"	110.954351	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Hac-H"	59.013851
"961833"	118.920651	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-H+NaCOOH"	66.980151
"116942"	86.909902	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+2Cl"	69.938804
"558690"	112.880152	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+2Cl"	69.938804
"1028586"	60.939652	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2Cl"	69.938804
"1249256"	130.859385	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Br"	78.918885
"1314986"	132.915372	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Cl+HCOOH"	80.974872
"1332488"	154.897329	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Cl+NaCOOH"	102.956829
"924639"	164.926086	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M-H+CF3COOH"	112.985586
"1302925"	200.902764	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Cl+CF3COOH"	148.962264
"1382142"	16.927824	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H-2H2O"	-35.012676
"1395910"	34.9378	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H-H2O"	-17.0027
"295596"	104.888276	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+H"	1.007276
"683645"	156.828776	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+H"	1.007276
"1361087"	52.947776	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H"	1.007276
"130695"	52.947776	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+2H"	2.014552
"573535"	78.918026	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+2H"	2.014552
"1045616"	26.977526	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2H"	2.014552
"209142"	35.634276	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+3H"	3.021828
"650896"	52.947776	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+3H"	3.021828
"1166835"	18.320776	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+3H"	3.021828
"426829"	121.914823	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+NH4"	18.033823
"790010"	173.855323	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+NH4"	18.033823
"1686340"	69.974323	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+NH4"	18.033823
"334619"	61.4610495	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+H+NH4"	19.041099
"728134"	87.4312995	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+H+NH4"	19.041099
"1488514"	35.4907995	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H+NH4"	19.041099
"402820"	126.870218	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+Na"	22.989218
"766001"	178.810718	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+Na"	22.989218
"1610818"	74.929718	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Na"	22.989218
"326321"	63.938747	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+H+Na"	23.996494
"719837"	89.908997	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+H+Na"	23.996494
"1472562"	37.968497	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H+Na"	23.996494
"1061434"	25.64809	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2H+Na"	25.00377
"1266396"	84.973986	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+CH3OH+H"	33.033486
"383875"	142.844158	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+K"	38.963158
"743046"	194.784658	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+K"	38.963158
"1541451"	90.903658	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+K"	38.963158
"300818"	71.925717	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+H+K"	39.970434
"699810"	97.895967	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+H+K"	39.970434
"1448163"	45.955467	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H+K"	39.970434
"241139"	145.914826	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+ACN+H"	42.033826
"1214943"	93.974326	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+ACN+H"	42.033826
"1202106"	47.490801	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+ACN+2H"	43.041102
"198624"	148.85216	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+2Na-H"	44.97116
"638916"	200.79266	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+2Na-H"	44.97116
"1138048"	96.91166	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2Na-H"	44.97116
"183524"	74.929718	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+2Na"	45.978436
"619802"	100.899968	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+2Na"	45.978436
"1120029"	48.959468	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2Na"	45.978436
"1404649"	32.975404	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H+2Na"	46.985712
"1436765"	98.953246	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H+HCOOH"	47.012746
"229740"	79.96274	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+3H2O+2H"	56.04448
"1521083"	113.00529	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+IsoProp+H"	61.06479
"421863"	82.916688	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+Na+K"	61.952376
"783226"	108.886938	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+Na+K"	61.952376
"1678097"	56.946438	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Na+K"	61.952376
"264983"	167.896768	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+ACN+Na"	64.015768
"1235140"	115.956268	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+ACN+Na"	64.015768
"1722934"	115.979793	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+NH4+HCOOH"	64.039293
"1187193"	40.302718	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+3Na"	68.967654
"1658182"	120.935188	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Na+HCOOH"	68.994688
"161761"	180.80004	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+2K-H"	76.91904
"600227"	232.74054	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+2K-H"	76.91904
"1085468"	128.85954	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2K-H"	76.91904
"142524"	90.903658	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"2M+2K"	77.926316
"583303"	116.873908	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"3M+2K"	77.926316
"1074375"	64.933408	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2K"	77.926316
"1101387"	130.874092	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2K+H"	78.933592
"1338865"	130.961707	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+DMSO+H"	79.021207
"1008487"	135.000876	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2ACN+H"	83.060376
"1526614"	135.994508	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+IsoProp+Na+H"	84.054008
"991607"	68.004076	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+2ACN+2H"	84.067652
"1593771"	136.909128	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+K+HCOOH"	84.968628
"1421617"	166.940638	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+H+CF3COOH"	115.000138
"1148986"	88.517351	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+3ACN+2H"	125.094202
"1697568"	183.967185	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+NH4+CF3COOH"	132.026685
"1636015"	188.92258	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+Na+CF3COOH"	136.98208
"1584789"	204.89652	"C20294"	"Chromium (V);Chromium ion (5)"	"Cr"	"51.9405"	"M+K+CF3COOH"	152.95602
"817046"	51.9405	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M"	0
"989660"	32.92211	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-H2O-H"	-19.01839
"78026"	33.619724	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M-3H"	-3.021828
"515400"	50.933224	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M-3H"	-3.021828
"892108"	16.306224	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-3H"	-3.021828
"8498"	50.933224	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M-2H"	-2.014552
"446963"	76.903474	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M-2H"	-2.014552
"825859"	24.962974	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-2H"	-2.014552
"85851"	102.873724	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M-H"	-1.007276
"530881"	154.814224	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M-H"	-1.007276
"905405"	50.933224	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-H"	-1.007276
"53220"	119.900271	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M-2H+NH4"	16.019271
"498246"	171.840771	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M-2H+NH4"	16.019271
"873861"	67.959771	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-2H+NH4"	16.019271
"44316"	124.855666	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M-2H+Na"	20.974666
"484239"	176.796166	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M-2H+Na"	20.974666
"861317"	72.915166	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-2H+Na"	20.974666
"1627576"	72.915166	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Na-2H"	20.974666
"104104"	68.921563	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M-H+Cl"	33.962126
"541477"	94.891813	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M-H+Cl"	33.962126
"937173"	42.951313	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-H+Cl"	33.962126
"274638"	138.850402	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+Cl"	34.969402
"667425"	190.790902	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+Cl"	34.969402
"1281287"	86.909902	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Cl"	34.969402
"27491"	140.829606	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M-2H+K"	36.948606
"464863"	192.770106	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M-2H+K"	36.948606
"844859"	88.889106	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-2H+K"	36.948606
"1567977"	88.889106	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+K-2H"	36.948606
"955130"	96.938694	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-H+HCOOH"	44.998194
"372253"	148.879201	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+HCOOH-H"	44.998201
"351764"	162.894851	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+Hac-H"	59.013851
"1501693"	110.954351	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Hac-H"	59.013851
"962675"	118.920651	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-H+NaCOOH"	66.980151
"115957"	86.909902	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+2Cl"	69.938804
"555518"	112.880152	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+2Cl"	69.938804
"1035258"	60.939652	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2Cl"	69.938804
"1252650"	130.859385	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Br"	78.918885
"1317286"	132.915372	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Cl+HCOOH"	80.974872
"1333694"	154.897329	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Cl+NaCOOH"	102.956829
"926572"	164.926086	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M-H+CF3COOH"	112.985586
"1303400"	200.902764	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Cl+CF3COOH"	148.962264
"1380590"	16.927824	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H-2H2O"	-35.012676
"1397601"	34.9378	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H-H2O"	-17.0027
"297408"	104.888276	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+H"	1.007276
"685943"	156.828776	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+H"	1.007276
"1362291"	52.947776	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H"	1.007276
"137368"	52.947776	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+2H"	2.014552
"578020"	78.918026	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+2H"	2.014552
"1042446"	26.977526	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2H"	2.014552
"214721"	35.634276	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+3H"	3.021828
"651008"	52.947776	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+3H"	3.021828
"1171320"	18.320776	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+3H"	3.021828
"431313"	121.914823	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+NH4"	18.033823
"797776"	173.855323	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+NH4"	18.033823
"1689731"	69.974323	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+NH4"	18.033823
"334730"	61.4610495	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+H+NH4"	19.041099
"733711"	87.4312995	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+H+NH4"	19.041099
"1488626"	35.4907995	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H+NH4"	19.041099
"406211"	126.870218	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+Na"	22.989218
"769030"	178.810718	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+Na"	22.989218
"1615305"	74.929718	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Na"	22.989218
"328378"	63.938747	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+H+Na"	23.996494
"719948"	89.908997	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+H+Na"	23.996494
"1471581"	37.968497	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H+Na"	23.996494
"1067013"	25.64809	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2H+Na"	25.00377
"1268692"	84.973986	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+CH3OH+H"	33.033486
"386174"	142.844158	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+K"	38.963158
"749356"	194.784658	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+K"	38.963158
"1541925"	90.903658	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+K"	38.963158
"300200"	71.925717	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+H+K"	39.970434
"702109"	97.895967	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+H+K"	39.970434
"1454835"	45.955467	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H+K"	39.970434
"244530"	145.914826	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+ACN+H"	42.033826
"1216146"	93.974326	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+ACN+H"	42.033826
"1202216"	47.490801	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+ACN+2H"	43.041102
"199101"	148.85216	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+2Na-H"	44.97116
"640120"	200.79266	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+2Na-H"	44.97116
"1143627"	96.91166	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2Na-H"	44.97116
"184728"	74.929718	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+2Na"	45.978436
"624291"	100.899968	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+2Na"	45.978436
"1127796"	48.959468	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2Na"	45.978436
"1411320"	32.975404	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H+2Na"	46.985712
"1445381"	98.953246	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H+HCOOH"	47.012746
"234224"	79.96274	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+3H2O+2H"	56.04448
"1523380"	113.00529	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+IsoProp+H"	61.06479
"424003"	82.916688	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+Na+K"	61.952376
"785284"	108.886938	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+Na+K"	61.952376
"1680643"	56.946438	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Na+K"	61.952376
"266798"	167.896768	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+ACN+Na"	64.015768
"1240843"	115.956268	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+ACN+Na"	64.015768
"1727664"	115.979793	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+NH4+HCOOH"	64.039293
"1191677"	40.302718	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+3Na"	68.967654
"1662665"	120.935188	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Na+HCOOH"	68.994688
"168433"	180.80004	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+2K-H"	76.91904
"602527"	232.74054	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+2K-H"	76.91904
"1091413"	128.85954	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2K-H"	76.91904
"143854"	90.903658	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"2M+2K"	77.926316
"591069"	116.873908	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"3M+2K"	77.926316
"1082871"	64.933408	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2K"	77.926316
"1108789"	130.874092	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2K+H"	78.933592
"1344081"	130.961707	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+DMSO+H"	79.021207
"1013706"	135.000876	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2ACN+H"	83.060376
"1530738"	135.994508	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+IsoProp+Na+H"	84.054008
"999373"	68.004076	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+2ACN+2H"	84.067652
"1593881"	136.909128	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+K+HCOOH"	84.968628
"1423915"	166.940638	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+H+CF3COOH"	115.000138
"1148732"	88.517351	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+3ACN+2H"	125.094202
"1702660"	183.967185	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+NH4+CF3COOH"	132.026685
"1634625"	188.92258	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+Na+CF3COOH"	136.98208
"1584899"	204.89652	"C20295"	"Chromium (IV);Chromium ion (4)"	"Cr"	"51.9405"	"M+K+CF3COOH"	152.95602
"808705"	74.9216	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M"	0
"986613"	55.90321	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-H2O-H"	-19.01839
"74855"	48.9404573333333	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M-3H"	-3.021828
"513322"	73.914324	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M-3H"	-3.021828
"893675"	23.9665906666667	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-3H"	-3.021828
"6418"	73.914324	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M-2H"	-2.014552
"443791"	111.375124	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M-2H"	-2.014552
"823782"	36.453524	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-2H"	-2.014552
"80492"	148.835924	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M-H"	-1.007276
"525524"	223.757524	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M-H"	-1.007276
"906608"	73.914324	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-H"	-1.007276
"55516"	165.862471	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M-2H+NH4"	16.019271
"499449"	240.784071	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M-2H+NH4"	16.019271
"873971"	90.940871	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-2H+NH4"	16.019271
"45155"	170.817866	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M-2H+Na"	20.974666
"482526"	245.739466	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M-2H+Na"	20.974666
"857047"	95.896266	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-2H+Na"	20.974666
"1633394"	95.896266	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Na-2H"	20.974666
"107491"	91.902663	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M-H+Cl"	33.962126
"545958"	129.363463	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M-H+Cl"	33.962126
"938376"	54.441863	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-H+Cl"	33.962126
"273652"	184.812602	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+Cl"	34.969402
"670450"	259.734202	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+Cl"	34.969402
"1282125"	109.891002	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Cl"	34.969402
"30153"	186.791806	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M-2H+K"	36.948606
"464969"	261.713406	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M-2H+K"	36.948606
"843875"	111.870206	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-2H+K"	36.948606
"1565170"	111.870206	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+K-2H"	36.948606
"953783"	119.919794	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-H+HCOOH"	44.998194
"373821"	194.841401	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+HCOOH-H"	44.998201
"354060"	208.857051	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+Hac-H"	59.013851
"1501803"	133.935451	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Hac-H"	59.013851
"961686"	141.901751	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-H+NaCOOH"	66.980151
"113879"	109.891002	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+2Cl"	69.938804
"552344"	147.351802	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+2Cl"	69.938804
"1025884"	72.430202	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2Cl"	69.938804
"1253854"	153.840485	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Br"	78.918885
"1318855"	155.896472	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Cl+HCOOH"	80.974872
"1333439"	177.878429	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Cl+NaCOOH"	102.956829
"925955"	187.907186	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M-H+CF3COOH"	112.985586
"1302659"	223.883864	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Cl+CF3COOH"	148.962264
"1381914"	39.908924	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H-2H2O"	-35.012676
"1398039"	57.9189	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H-H2O"	-17.0027
"296909"	150.850476	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+H"	1.007276
"691033"	225.772076	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+H"	1.007276
"1362399"	75.928876	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H"	1.007276
"139665"	75.928876	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+2H"	2.014552
"580317"	113.389676	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+2H"	2.014552
"1048023"	38.468076	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2H"	2.014552
"217017"	50.9550093333333	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+3H"	3.021828
"653305"	75.928876	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+3H"	3.021828
"1175444"	25.9811426666667	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+3H"	3.021828
"434703"	167.877023	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+NH4"	18.033823
"797522"	242.798623	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+NH4"	18.033823
"1693851"	92.955423	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+NH4"	18.033823
"341036"	84.4421495	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+H+NH4"	19.041099
"736737"	121.9029495	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+H+NH4"	19.041099
"1488735"	46.9813495	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H+NH4"	19.041099
"406321"	172.832418	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+Na"	22.989218
"769138"	247.754018	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+Na"	22.989218
"1617237"	97.910818	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Na"	22.989218
"328002"	86.919847	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+H+Na"	23.996494
"716778"	124.380647	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+H+Na"	23.996494
"1474970"	49.459047	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H+Na"	23.996494
"1067852"	33.3084566666667	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2H+Na"	25.00377
"1268801"	107.955086	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+CH3OH+H"	33.033486
"387378"	188.806358	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+K"	38.963158
"750557"	263.727958	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+K"	38.963158
"1542400"	113.884758	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+K"	38.963158
"300310"	94.906817	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+H+K"	39.970434
"698938"	132.367617	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+H+K"	39.970434
"1447287"	57.446017	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H+K"	39.970434
"243543"	191.877026	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+ACN+H"	42.033826
"1216619"	116.955426	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+ACN+H"	42.033826
"1205606"	58.981351	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+ACN+2H"	43.041102
"198481"	194.81436	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+2Na-H"	44.97116
"638044"	269.73596	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+2Na-H"	44.97116
"1140456"	119.89276	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2Na-H"	44.97116
"185567"	97.910818	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+2Na"	45.978436
"620752"	135.371618	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+2Na"	45.978436
"1121345"	60.450018	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2Na"	45.978436
"1410337"	40.6357706666667	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H+2Na"	46.985712
"1445330"	121.934346	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H+HCOOH"	47.012746
"231054"	102.94384	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+3H2O+2H"	56.04448
"1522396"	135.98639	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+IsoProp+H"	61.06479
"423948"	105.897788	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+Na+K"	61.952376
"785474"	143.358588	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+Na+K"	61.952376
"1681039"	68.436988	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Na+K"	61.952376
"266542"	213.858968	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+ACN+Na"	64.015768
"1240710"	138.937368	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+ACN+Na"	64.015768
"1726312"	138.960893	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+NH4+HCOOH"	64.039293
"1192515"	47.9630846666667	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+3Na"	68.967654
"1663868"	143.916288	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Na+HCOOH"	68.994688
"166356"	226.76224	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+2K-H"	76.91904
"600815"	301.68384	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+2K-H"	76.91904
"1091523"	151.84064	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2K-H"	76.91904
"143233"	113.884758	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"2M+2K"	77.926316
"587898"	151.345558	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"3M+2K"	77.926316
"1080064"	76.423958	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2K"	77.926316
"1103431"	153.855192	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2K+H"	78.933592
"1339085"	153.942807	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+DMSO+H"	79.021207
"1008346"	157.981976	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2ACN+H"	83.060376
"1530848"	158.975608	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+IsoProp+Na+H"	84.054008
"994016"	79.494626	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+2ACN+2H"	84.067652
"1592897"	159.890228	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+K+HCOOH"	84.968628
"1421837"	189.921738	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+H+CF3COOH"	115.000138
"1148842"	100.007901	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+3ACN+2H"	125.094202
"1702770"	206.948285	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+NH4+CF3COOH"	132.026685
"1636235"	211.90368	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+Na+CF3COOH"	136.98208
"1585009"	227.87762	"C20296"	"Arsenic (V);Arsenic ion (5)"	"As"	"74.9216"	"M+K+CF3COOH"	152.95602
"808815"	74.9216	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M"	0
"987452"	55.90321	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-H2O-H"	-19.01839
"73872"	48.9404573333333	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M-3H"	-3.021828
"509059"	73.914324	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M-3H"	-3.021828
"892326"	23.9665906666667	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-3H"	-3.021828
"4342"	73.914324	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M-2H"	-2.014552
"441715"	111.375124	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M-2H"	-2.014552
"822799"	36.453524	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-2H"	-2.014552
"80602"	148.835924	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M-H"	-1.007276
"519195"	223.757524	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M-H"	-1.007276
"906718"	73.914324	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-H"	-1.007276
"53438"	165.862471	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M-2H+NH4"	16.019271
"492999"	240.784071	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M-2H+NH4"	16.019271
"873717"	90.940871	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-2H+NH4"	16.019271
"41983"	170.817866	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M-2H+Na"	20.974666
"479356"	245.739466	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M-2H+Na"	20.974666
"857157"	95.896266	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-2H+Na"	20.974666
"1625600"	95.896266	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Na-2H"	20.974666
"109422"	91.902663	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M-H+Cl"	33.962126
"546069"	129.363463	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M-H+Cl"	33.962126
"938486"	54.441863	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-H+Cl"	33.962126
"272669"	184.812602	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+Cl"	34.969402
"670560"	259.734202	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+Cl"	34.969402
"1281871"	109.891002	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Cl"	34.969402
"29896"	186.791806	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M-2H+K"	36.948606
"465079"	261.713406	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M-2H+K"	36.948606
"845805"	111.870206	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-2H+K"	36.948606
"1565280"	111.870206	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+K-2H"	36.948606
"956442"	119.919794	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-H+HCOOH"	44.998194
"374659"	194.841401	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+HCOOH-H"	44.998201
"358179"	208.857051	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+Hac-H"	59.013851
"1503731"	133.935451	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Hac-H"	59.013851
"962892"	141.901751	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-H+NaCOOH"	66.980151
"113987"	109.891002	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+2Cl"	69.938804
"552086"	147.351802	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+2Cl"	69.938804
"1022343"	72.430202	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2Cl"	69.938804
"1251774"	153.840485	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Br"	78.918885
"1314221"	155.896472	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Cl+HCOOH"	80.974872
"1335369"	177.878429	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Cl+NaCOOH"	102.956829
"925334"	187.907186	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M-H+CF3COOH"	112.985586
"1299489"	223.883864	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Cl+CF3COOH"	148.962264
"1378744"	39.908924	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H-2H2O"	-35.012676
"1396237"	57.9189	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H-H2O"	-17.0027
"297751"	150.850476	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+H"	1.007276
"690900"	225.772076	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+H"	1.007276
"1361416"	75.928876	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H"	1.007276
"139775"	75.928876	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+2H"	2.014552
"580306"	113.389676	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+2H"	2.014552
"1050321"	38.468076	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2H"	2.014552
"216034"	50.9550093333333	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+3H"	3.021828
"657792"	75.928876	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+3H"	3.021828
"1176890"	25.9811426666667	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+3H"	3.021828
"437367"	167.877023	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+NH4"	18.033823
"797268"	242.798623	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+NH4"	18.033823
"1691045"	92.955423	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+NH4"	18.033823
"338230"	84.4421495	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+H+NH4"	19.041099
"733931"	121.9029495	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+H+NH4"	19.041099
"1489576"	46.9813495	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H+NH4"	19.041099
"405703"	172.832418	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+Na"	22.989218
"767425"	247.754018	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+Na"	22.989218
"1616254"	97.910818	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Na"	22.989218
"326653"	86.919847	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+H+Na"	23.996494
"720168"	124.380647	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+H+Na"	23.996494
"1475080"	49.459047	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H+Na"	23.996494
"1066138"	33.3084566666667	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2H+Na"	25.00377
"1272151"	107.955086	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+CH3OH+H"	33.033486
"388580"	188.806358	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+K"	38.963158
"749575"	263.727958	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+K"	38.963158
"1542510"	113.884758	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+K"	38.963158
"301149"	94.906817	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+H+K"	39.970434
"694671"	132.367617	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+H+K"	39.970434
"1449584"	57.446017	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H+K"	39.970434
"241466"	191.877026	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+ACN+H"	42.033826
"1216729"	116.955426	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+ACN+H"	42.033826
"1202071"	58.981351	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+ACN+2H"	43.041102
"198591"	194.81436	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+2Na-H"	44.97116
"635967"	269.73596	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+2Na-H"	44.97116
"1140565"	119.89276	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2Na-H"	44.97116
"183853"	97.910818	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+2Na"	45.978436
"623414"	135.371618	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+2Na"	45.978436
"1123641"	60.450018	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2Na"	45.978436
"1408260"	40.6357706666667	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H+2Na"	46.985712
"1442563"	121.934346	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H+HCOOH"	47.012746
"228977"	102.94384	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+3H2O+2H"	56.04448
"1521412"	135.98639	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+IsoProp+H"	61.06479
"423287"	105.897788	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+Na+K"	61.952376
"783922"	143.358588	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+Na+K"	61.952376
"1678425"	68.436988	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Na+K"	61.952376
"266653"	213.858968	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+ACN+Na"	64.015768
"1239847"	138.937368	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+ACN+Na"	64.015768
"1726543"	138.960893	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+NH4+HCOOH"	64.039293
"1190802"	47.9630846666667	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+3Na"	68.967654
"1662885"	143.916288	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Na+HCOOH"	68.994688
"163186"	226.76224	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+2K-H"	76.91904
"600925"	301.68384	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+2K-H"	76.91904
"1088353"	151.84064	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2K-H"	76.91904
"142613"	113.884758	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"2M+2K"	77.926316
"588008"	151.345558	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"3M+2K"	77.926316
"1076894"	76.423958	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2K"	77.926316
"1103541"	153.855192	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2K+H"	78.933592
"1337734"	153.942807	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+DMSO+H"	79.021207
"1007363"	157.981976	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2ACN+H"	83.060376
"1530958"	158.975608	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+IsoProp+Na+H"	84.054008
"994126"	79.494626	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+2ACN+2H"	84.067652
"1594100"	159.890228	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+K+HCOOH"	84.968628
"1421947"	189.921738	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+H+CF3COOH"	115.000138
"1147860"	100.007901	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+3ACN+2H"	125.094202
"1702880"	206.948285	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+NH4+CF3COOH"	132.026685
"1635252"	211.90368	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+Na+CF3COOH"	136.98208
"1585119"	227.87762	"C20298"	"Arsenic (III);Arsenic ion (3)"	"As"	"74.9216"	"M+K+CF3COOH"	152.95602
"808925"	121.9713	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M"	0
"987562"	102.95291	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-H2O-H"	-19.01839
"73982"	80.306924	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M-3H"	-3.021828
"509169"	120.964024	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M-3H"	-3.021828
"893531"	39.649824	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-3H"	-3.021828
"2265"	120.964024	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M-2H"	-2.014552
"441825"	181.949674	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M-2H"	-2.014552
"822909"	59.978374	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-2H"	-2.014552
"82898"	242.935324	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M-H"	-1.007276
"519423"	364.906624	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M-H"	-1.007276
"901360"	120.964024	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-H"	-1.007276
"47714"	259.961871	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M-2H+NH4"	16.019271
"488855"	381.933171	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M-2H+NH4"	16.019271
"867631"	137.990571	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-2H+NH4"	16.019271
"32492"	264.917266	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M-2H+Na"	20.974666
"477278"	386.888566	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M-2H+Na"	20.974666
"857267"	142.945966	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-2H+Na"	20.974666
"1625710"	142.945966	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Na-2H"	20.974666
"104426"	138.952363	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M-H+Cl"	33.962126
"546176"	199.938013	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M-H+Cl"	33.962126
"930210"	77.966713	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-H+Cl"	33.962126
"272778"	278.912002	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+Cl"	34.969402
"663379"	400.883302	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+Cl"	34.969402
"1281981"	156.940702	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Cl"	34.969402
"25267"	280.891206	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M-2H+K"	36.948606
"464462"	402.862506	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M-2H+K"	36.948606
"843001"	158.919906	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-2H+K"	36.948606
"1566483"	158.919906	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+K-2H"	36.948606
"955460"	166.969494	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-H+HCOOH"	44.998194
"373676"	288.940801	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+HCOOH-H"	44.998201
"357560"	302.956451	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+Hac-H"	59.013851
"1503112"	180.985151	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Hac-H"	59.013851
"966283"	188.951451	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-H+NaCOOH"	66.980151
"115191"	156.940702	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+2Cl"	69.938804
"551835"	217.926352	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+2Cl"	69.938804
"1021846"	95.955052	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2Cl"	69.938804
"1250790"	200.890185	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Br"	78.918885
"1314331"	202.946172	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Cl+HCOOH"	80.974872
"1335114"	224.928129	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Cl+NaCOOH"	102.956829
"925807"	234.956886	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M-H+CF3COOH"	112.985586
"1302880"	270.933564	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Cl+CF3COOH"	148.962264
"1379946"	86.958624	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H-2H2O"	-35.012676
"1394162"	104.9686	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H-H2O"	-17.0027
"297008"	244.949876	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+H"	1.007276
"688457"	366.921176	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+H"	1.007276
"1361526"	122.978576	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H"	1.007276
"137699"	122.978576	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+2H"	2.014552
"580416"	183.964226	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+2H"	2.014552
"1051282"	61.992926	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2H"	2.014552
"216145"	82.321476	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+3H"	3.021828
"656446"	122.978576	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+3H"	3.021828
"1176391"	41.664376	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+3H"	3.021828
"437840"	261.976423	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+NH4"	18.033823
"797741"	383.947723	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+NH4"	18.033823
"1692248"	140.005123	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+NH4"	18.033823
"339434"	131.4918495	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+H+NH4"	19.041099
"735865"	192.4774995	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+H+NH4"	19.041099
"1484583"	70.5061995	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H+NH4"	19.041099
"407637"	266.931818	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+Na"	22.989218
"767908"	388.903118	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+Na"	22.989218
"1611263"	144.960518	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Na"	22.989218
"322392"	133.969547	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+H+Na"	23.996494
"712626"	194.955197	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+H+Na"	23.996494
"1469726"	72.983897	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H+Na"	23.996494
"1061877"	48.99169	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2H+Na"	25.00377
"1269996"	155.004786	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+CH3OH+H"	33.033486
"389785"	282.905758	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+K"	38.963158
"746404"	404.877058	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+K"	38.963158
"1544080"	160.934458	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+K"	38.963158
"300164"	141.956517	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+H+K"	39.970434
"694781"	202.942167	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+H+K"	39.970434
"1447507"	80.970867	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H+K"	39.970434
"238297"	285.976426	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+ACN+H"	42.033826
"1217568"	164.005126	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+ACN+H"	42.033826
"1201453"	82.506201	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+ACN+2H"	43.041102
"197607"	288.91376	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+2Na-H"	44.97116
"637169"	410.88506	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+2Na-H"	44.97116
"1139581"	166.94246	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2Na-H"	44.97116
"184692"	144.960518	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+2Na"	45.978436
"622431"	205.946168	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+2Na"	45.978436
"1121565"	83.974868	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2Na"	45.978436
"1403995"	56.319004	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H+2Na"	46.985712
"1444742"	168.984046	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H+HCOOH"	47.012746
"232368"	149.99354	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+3H2O+2H"	56.04448
"1522985"	183.03609	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+IsoProp+H"	61.06479
"423280"	152.947488	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+Na+K"	61.952376
"785005"	213.933138	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+Na+K"	61.952376
"1679632"	91.961838	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Na+K"	61.952376
"266519"	307.958368	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+ACN+Na"	64.015768
"1240689"	185.987068	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+ACN+Na"	64.015768
"1725560"	186.010593	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+NH4+HCOOH"	64.039293
"1190912"	63.646318	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+3Na"	68.967654
"1658622"	190.965988	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Na+HCOOH"	68.994688
"166576"	320.86164	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+2K-H"	76.91904
"601035"	442.83294	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+2K-H"	76.91904
"1091743"	198.89034	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2K-H"	76.91904
"145278"	160.934458	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"2M+2K"	77.926316
"585931"	221.920108	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"3M+2K"	77.926316
"1077004"	99.948808	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2K"	77.926316
"1105838"	200.904892	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2K+H"	78.933592
"1337849"	200.992507	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+DMSO+H"	79.021207
"1007474"	205.031676	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2ACN+H"	83.060376
"1527787"	206.025308	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+IsoProp+Na+H"	84.054008
"994234"	103.019476	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+2ACN+2H"	84.067652
"1588738"	206.939928	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+K+HCOOH"	84.968628
"1422055"	236.971438	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+H+CF3COOH"	115.000138
"1147970"	123.532751	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+3ACN+2H"	125.094202
"1700803"	253.997985	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+NH4+CF3COOH"	132.026685
"1636455"	258.95338	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+Na+CF3COOH"	136.98208
"1585229"	274.92732	"C20300"	"Dimethylarsinous acid"	"C2H7AsO"	"121.9713"	"M+K+CF3COOH"	152.95602
"814502"	90.0429	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M"	0
"987672"	71.02451	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-H2O-H"	-19.01839
"74092"	59.021324	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M-3H"	-3.021828
"512559"	89.035624	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M-3H"	-3.021828
"894370"	29.007024	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-3H"	-3.021828
"1282"	89.035624	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M-2H"	-2.014552
"441935"	134.057074	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M-2H"	-2.014552
"823020"	44.014174	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-2H"	-2.014552
"83011"	179.078524	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M-H"	-1.007276
"521479"	269.121424	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M-H"	-1.007276
"900376"	89.035624	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-H"	-1.007276
"47211"	196.105071	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M-2H+NH4"	16.019271
"488844"	286.147971	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M-2H+NH4"	16.019271
"866647"	106.062171	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-2H+NH4"	16.019271
"31748"	201.060466	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M-2H+Na"	20.974666
"473014"	291.103366	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M-2H+Na"	20.974666
"853003"	111.017566	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-2H+Na"	20.974666
"1624726"	111.017566	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Na-2H"	20.974666
"100162"	107.023963	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M-H+Cl"	33.962126
"541908"	152.045413	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M-H+Cl"	33.962126
"927238"	62.002513	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-H+Cl"	33.962126
"272888"	215.055202	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+Cl"	34.969402
"661176"	305.098102	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+Cl"	34.969402
"1279903"	125.012302	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Cl"	34.969402
"20273"	217.034406	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M-2H+K"	36.948606
"463113"	307.077306	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M-2H+K"	36.948606
"845291"	126.991506	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-2H+K"	36.948606
"1563312"	126.991506	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+K-2H"	36.948606
"954474"	135.041094	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-H+HCOOH"	44.998194
"375242"	225.084001	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+HCOOH-H"	44.998201
"354388"	239.099651	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+Hac-H"	59.013851
"1502127"	149.056751	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Hac-H"	59.013851
"964204"	157.023051	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-H+NaCOOH"	66.980151
"117487"	125.012302	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+2Cl"	69.938804
"558141"	170.033752	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+2Cl"	69.938804
"1022683"	79.990852	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2Cl"	69.938804
"1248713"	168.961785	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Br"	78.918885
"1311161"	171.017772	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Cl+HCOOH"	80.974872
"1334128"	192.999729	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Cl+NaCOOH"	102.956829
"925555"	203.028486	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M-H+CF3COOH"	112.985586
"1301896"	239.005164	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Cl+CF3COOH"	148.962264
"1378961"	55.030224	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H-2H2O"	-35.012676
"1389897"	73.0402	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H-H2O"	-17.0027
"293959"	181.093076	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+H"	1.007276
"684192"	271.135976	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+H"	1.007276
"1361635"	91.050176	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H"	1.007276
"139632"	91.050176	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+2H"	2.014552
"580405"	136.071626	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+2H"	2.014552
"1050541"	46.028726	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2H"	2.014552
"218078"	61.035876	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+3H"	3.021828
"656920"	91.050176	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+3H"	3.021828
"1177229"	31.021576	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+3H"	3.021828
"437705"	198.119623	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+NH4"	18.033823
"794935"	288.162523	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+NH4"	18.033823
"1692358"	108.076723	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+NH4"	18.033823
"344040"	99.5634495	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+H+NH4"	19.041099
"736339"	144.5848995	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+H+NH4"	19.041099
"1489066"	54.5419995	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H+NH4"	19.041099
"407139"	203.075018	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+Na"	22.989218
"768500"	293.117918	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+Na"	22.989218
"1606999"	113.032118	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Na"	22.989218
"325782"	102.041147	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+H+Na"	23.996494
"710184"	147.062597	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+H+Na"	23.996494
"1470930"	57.019697	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H+Na"	23.996494
"1059800"	38.34889	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2H+Na"	25.00377
"1270227"	123.076386	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+CH3OH+H"	33.033486
"386614"	219.048958	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+K"	38.963158
"747609"	309.091858	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+K"	38.963158
"1545283"	129.006058	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+K"	38.963158
"303554"	110.028117	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+H+K"	39.970434
"694892"	155.049567	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+H+K"	39.970434
"1447617"	65.006667	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H+K"	39.970434
"237314"	222.119626	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+ACN+H"	42.033826
"1216585"	132.076726	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+ACN+H"	42.033826
"1201563"	66.542001	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+ACN+2H"	43.041102
"197717"	225.05696	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+2Na-H"	44.97116
"636187"	315.09986	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+2Na-H"	44.97116
"1139692"	135.01406	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2Na-H"	44.97116
"182979"	113.032118	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+2Na"	45.978436
"619987"	158.053568	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+2Na"	45.978436
"1121675"	68.010668	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2Na"	45.978436
"1407387"	45.676204	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H+2Na"	46.985712
"1444728"	137.055646	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H+HCOOH"	47.012746
"230292"	118.06514	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+3H2O+2H"	56.04448
"1522245"	151.10769	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+IsoProp+H"	61.06479
"422419"	121.019088	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+Na+K"	61.952376
"782319"	166.040538	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+Na+K"	61.952376
"1678649"	75.997638	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Na+K"	61.952376
"264806"	244.101568	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+ACN+Na"	64.015768
"1238609"	154.058668	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+ACN+Na"	64.015768
"1726036"	154.082193	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+NH4+HCOOH"	64.039293
"1189929"	53.003518	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+3Na"	68.967654
"1662012"	159.037588	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Na+HCOOH"	68.994688
"166686"	257.00484	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+2K-H"	76.91904
"601145"	347.04774	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+2K-H"	76.91904
"1091853"	166.96194	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2K-H"	76.91904
"146482"	129.006058	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"2M+2K"	77.926316
"584948"	174.027508	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"3M+2K"	77.926316
"1077114"	83.984608	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2K"	77.926316
"1104855"	168.976492	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2K+H"	78.933592
"1336866"	169.064107	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+DMSO+H"	79.021207
"1007584"	173.103276	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2ACN+H"	83.060376
"1527897"	174.096908	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+IsoProp+Na+H"	84.054008
"993251"	87.055276	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+2ACN+2H"	84.067652
"1587755"	175.011528	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+K+HCOOH"	84.968628
"1423258"	205.043038	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+H+CF3COOH"	115.000138
"1150266"	107.568551	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+3ACN+2H"	125.094202
"1699090"	222.069585	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+NH4+CF3COOH"	132.026685
"1635471"	227.02498	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+Na+CF3COOH"	136.98208
"1585339"	242.99892	"C20301"	"alpha-Hydroxy-NDMA;N-Nitrosohydroxymethylmethylamine"	"C2H6N2O2"	"90.0429"	"M+K+CF3COOH"	152.95602
"815707"	43.0296	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M"	0
"984866"	24.01121	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-H2O-H"	-19.01839
"68735"	27.679124	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M-3H"	-3.021828
"511575"	42.022324	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M-3H"	-3.021828
"887190"	13.335924	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-3H"	-3.021828
"1392"	42.022324	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M-2H"	-2.014552
"441194"	63.537124	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M-2H"	-2.014552
"825317"	20.507524	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-2H"	-2.014552
"80934"	85.051924	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M-H"	-1.007276
"520129"	128.081524	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M-H"	-1.007276
"895985"	42.022324	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-H"	-1.007276
"47558"	102.078471	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M-2H+NH4"	16.019271
"487327"	145.108071	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M-2H+NH4"	16.019271
"867851"	59.048871	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-2H+NH4"	16.019271
"32222"	107.033866	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M-2H+Na"	20.974666
"471818"	150.063466	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M-2H+Na"	20.974666
"850925"	64.004266	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-2H+Na"	20.974666
"1622648"	64.004266	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Na-2H"	20.974666
"99178"	60.010663	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M-H+Cl"	33.962126
"537644"	81.525463	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M-H+Cl"	33.962126
"927751"	38.495863	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-H+Cl"	33.962126
"268983"	121.028602	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+Cl"	34.969402
"663961"	164.058202	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+Cl"	34.969402
"1277824"	77.999002	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Cl"	34.969402
"18559"	123.007806	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M-2H+K"	36.948606
"465410"	166.037406	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M-2H+K"	36.948606
"846130"	79.978206	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-2H+K"	36.948606
"1569619"	79.978206	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+K-2H"	36.948606
"957138"	88.027794	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-H+HCOOH"	44.998194
"375962"	131.057401	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+HCOOH-H"	44.998201
"357049"	145.073051	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+Hac-H"	59.013851
"1501144"	102.043451	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Hac-H"	59.013851
"967594"	110.009751	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-H+NaCOOH"	66.980151
"118690"	77.999002	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+2Cl"	69.938804
"554971"	99.513802	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+2Cl"	69.938804
"1022307"	56.484202	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2Cl"	69.938804
"1242250"	121.948485	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Br"	78.918885
"1314550"	124.004472	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Cl+HCOOH"	80.974872
"1334238"	145.986429	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Cl+NaCOOH"	102.956829
"926390"	156.015186	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M-H+CF3COOH"	112.985586
"1299819"	191.991864	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Cl+CF3COOH"	148.962264
"1379071"	8.016924	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H-2H2O"	-35.012676
"1396568"	26.0269	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H-H2O"	-17.0027
"290788"	87.066476	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+H"	1.007276
"685396"	130.096076	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+H"	1.007276
"1359557"	44.036876	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H"	1.007276
"140837"	44.036876	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+2H"	2.014552
"580761"	65.551676	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+2H"	2.014552
"1052485"	22.522076	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2H"	2.014552
"217457"	29.693676	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+3H"	3.021828
"658119"	44.036876	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+3H"	3.021828
"1177585"	15.350476	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+3H"	3.021828
"437328"	104.093023	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+NH4"	18.033823
"793950"	147.122623	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+NH4"	18.033823
"1692467"	61.063423	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+NH4"	18.033823
"339653"	52.5501495	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+H+NH4"	19.041099
"730982"	74.0649495	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+H+NH4"	19.041099
"1485894"	31.0353495	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H+NH4"	19.041099
"398015"	109.048418	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+Na"	22.989218
"760102"	152.078018	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+Na"	22.989218
"1608199"	66.018818	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Na"	22.989218
"320422"	55.027847	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+H+Na"	23.996494
"711021"	76.542647	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+H+Na"	23.996494
"1466299"	33.513047	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H+Na"	23.996494
"1057720"	22.67779	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2H+Na"	25.00377
"1260495"	76.063086	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+CH3OH+H"	33.033486
"383441"	125.022358	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+K"	38.963158
"741155"	168.051958	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+K"	38.963158
"1540288"	81.992758	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+K"	38.963158
"301478"	63.014817	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+H+K"	39.970434
"693908"	84.529617	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+H+K"	39.970434
"1447728"	41.500017	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H+K"	39.970434
"237424"	128.093026	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+ACN+H"	42.033826
"1212320"	85.063426	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+ACN+H"	42.033826
"1194987"	43.035351	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+ACN+2H"	43.041102
"194547"	131.03036	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+2Na-H"	44.97116
"636296"	174.05996	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+2Na-H"	44.97116
"1139802"	88.00076	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2Na-H"	44.97116
"180903"	66.018818	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+2Na"	45.978436
"619368"	87.533618	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+2Na"	45.978436
"1121785"	44.504018	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2Na"	45.978436
"1411871"	30.005104	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H+2Na"	46.985712
"1442894"	90.042346	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H+HCOOH"	47.012746
"230402"	71.05184	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+3H2O+2H"	56.04448
"1520654"	104.09439	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+IsoProp+H"	61.06479
"415966"	74.005788	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+Na+K"	61.952376
"782429"	95.520588	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+Na+K"	61.952376
"1678757"	52.490988	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Na+K"	61.952376
"265278"	150.074968	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+ACN+Na"	64.015768
"1239080"	107.045368	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+ACN+Na"	64.015768
"1720313"	107.068893	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+NH4+HCOOH"	64.039293
"1187853"	37.332418	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+3Na"	68.967654
"1658113"	112.024288	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Na+HCOOH"	68.994688
"163881"	162.97824	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+2K-H"	76.91904
"600890"	206.00784	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+2K-H"	76.91904
"1096336"	119.94864	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2K-H"	76.91904
"142339"	81.992758	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"2M+2K"	77.926316
"581654"	103.507558	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"3M+2K"	77.926316
"1075037"	60.477958	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2K"	77.926316
"1100711"	121.963192	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2K+H"	78.933592
"1336976"	122.050807	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+DMSO+H"	79.021207
"1008789"	126.089976	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2ACN+H"	83.060376
"1528007"	127.083608	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+IsoProp+Na+H"	84.054008
"996642"	63.548626	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+2ACN+2H"	84.067652
"1587498"	127.998228	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+K+HCOOH"	84.968628
"1420086"	158.029738	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+H+CF3COOH"	115.000138
"1152563"	84.061901	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+3ACN+2H"	125.094202
"1698836"	175.056285	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+NH4+CF3COOH"	132.026685
"1635580"	180.01168	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+Na+CF3COOH"	136.98208
"1585449"	195.98562	"C20302"	"Methyldiazonium ion;Methanediazonium"	"CH3N2"	"43.0296"	"M+K+CF3COOH"	152.95602
"815451"	77.9872	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M"	0
"987164"	58.96881	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-H2O-H"	-19.01839
"72125"	50.9841906666667	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M-3H"	-3.021828
"516060"	76.979924	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M-3H"	-3.021828
"890582"	24.9884573333333	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-3H"	-3.021828
"5877"	76.979924	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M-2H"	-2.014552
"446529"	115.973524	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M-2H"	-2.014552
"825427"	37.986324	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-2H"	-2.014552
"79951"	154.967124	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M-H"	-1.007276
"521700"	232.954324	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M-H"	-1.007276
"896091"	76.979924	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-H"	-1.007276
"47914"	171.993671	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M-2H+NH4"	16.019271
"487842"	249.980871	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M-2H+NH4"	16.019271
"866137"	94.006471	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-2H+NH4"	16.019271
"32332"	176.949066	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M-2H+Na"	20.974666
"472015"	254.936266	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M-2H+Na"	20.974666
"852131"	98.961866	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-2H+Na"	20.974666
"1621665"	98.961866	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Na-2H"	20.974666
"97099"	94.968263	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M-H+Cl"	33.962126
"536294"	133.961863	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M-H+Cl"	33.962126
"928343"	55.974663	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-H+Cl"	33.962126
"268363"	190.943802	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+Cl"	34.969402
"661517"	268.931002	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+Cl"	34.969402
"1277204"	112.956602	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Cl"	34.969402
"20493"	192.923006	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M-2H+K"	36.948606
"462239"	270.910206	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M-2H+K"	36.948606
"847335"	114.935806	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-2H+K"	36.948606
"1571015"	114.935806	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+K-2H"	36.948606
"955060"	122.985394	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-H+HCOOH"	44.998194
"374370"	200.972601	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+HCOOH-H"	44.998201
"357525"	214.988251	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+Hac-H"	59.013851
"1503077"	137.001051	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Hac-H"	59.013851
"968802"	144.967351	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-H+NaCOOH"	66.980151
"118803"	112.956602	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+2Cl"	69.938804
"550830"	151.950202	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+2Cl"	69.938804
"1022539"	73.963002	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2Cl"	69.938804
"1243453"	156.906085	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Br"	78.918885
"1311380"	158.962072	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Cl+HCOOH"	80.974872
"1333984"	180.944029	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Cl+NaCOOH"	102.956829
"924679"	190.972786	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M-H+CF3COOH"	112.985586
"1298835"	226.949464	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Cl+CF3COOH"	148.962264
"1379911"	42.974524	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H-2H2O"	-35.012676
"1395584"	60.9845	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H-H2O"	-17.0027
"290898"	156.981676	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+H"	1.007276
"681131"	234.968876	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+H"	1.007276
"1356387"	78.994476	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H"	1.007276
"140580"	78.994476	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+2H"	2.014552
"580746"	117.988076	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+2H"	2.014552
"1052465"	40.000876	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2H"	2.014552
"217567"	52.9987426666667	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+3H"	3.021828
"654949"	78.994476	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+3H"	3.021828
"1177326"	27.0030093333333	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+3H"	3.021828
"437317"	174.008223	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+NH4"	18.033823
"794060"	251.995423	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+NH4"	18.033823
"1692576"	96.021023	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+NH4"	18.033823
"338670"	87.5077495	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+H+NH4"	19.041099
"729998"	126.5013495	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+H+NH4"	19.041099
"1484910"	48.5141495	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H+NH4"	19.041099
"398125"	178.963618	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+Na"	22.989218
"758026"	256.950818	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+Na"	22.989218
"1607216"	100.976418	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Na"	22.989218
"318709"	89.985447	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+H+Na"	23.996494
"711494"	128.979047	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+H+Na"	23.996494
"1466775"	50.991847	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H+Na"	23.996494
"1056008"	34.3303233333333	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2H+Na"	25.00377
"1258780"	111.020686	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+CH3OH+H"	33.033486
"380271"	194.937558	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+K"	38.963158
"740414"	272.924758	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+K"	38.963158
"1544410"	116.950358	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+K"	38.963158
"300858"	97.972417	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+H+K"	39.970434
"696204"	136.966017	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+H+K"	39.970434
"1453303"	58.978817	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H+K"	39.970434
"238626"	198.008226	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+ACN+H"	42.033826
"1212428"	120.021026	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+ACN+H"	42.033826
"1197407"	60.514151	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+ACN+2H"	43.041102
"197937"	200.94556	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+2Na-H"	44.97116
"640775"	278.93276	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+2Na-H"	44.97116
"1139913"	122.95836	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2Na-H"	44.97116
"182106"	100.976418	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+2Na"	45.978436
"621668"	139.970018	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+2Na"	45.978436
"1126270"	61.982818	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2Na"	45.978436
"1408701"	41.6576373333333	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H+2Na"	46.985712
"1443003"	124.999946	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H+HCOOH"	47.012746
"230512"	106.00944	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+3H2O+2H"	56.04448
"1521736"	139.05199	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+IsoProp+H"	61.06479
"415346"	108.963388	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+Na+K"	61.952376
"783631"	147.956988	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+Na+K"	61.952376
"1680206"	69.969788	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Na+K"	61.952376
"266118"	219.990168	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+ACN+Na"	64.015768
"1239190"	142.002968	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+ACN+Na"	64.015768
"1719694"	142.026493	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+NH4+HCOOH"	64.039293
"1187964"	48.9849513333333	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+3Na"	68.967654
"1661140"	146.981888	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Na+HCOOH"	68.994688
"168001"	232.89344	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+2K-H"	76.91904
"604281"	310.88064	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+2K-H"	76.91904
"1095354"	154.90624	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2K-H"	76.91904
"141961"	116.950358	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"2M+2K"	77.926316
"584076"	155.943958	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"3M+2K"	77.926316
"1076241"	77.956758	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2K"	77.926316
"1101428"	156.920792	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2K+H"	78.933592
"1339274"	157.008407	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+DMSO+H"	79.021207
"1008899"	161.047576	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2ACN+H"	83.060376
"1525930"	162.041208	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+IsoProp+Na+H"	84.054008
"994567"	81.027426	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+2ACN+2H"	84.067652
"1591257"	162.955828	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+K+HCOOH"	84.968628
"1422387"	192.987338	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+H+CF3COOH"	115.000138
"1158141"	101.540701	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+3ACN+2H"	125.094202
"1703321"	210.013885	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+NH4+CF3COOH"	132.026685
"1638972"	214.96928	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+Na+CF3COOH"	136.98208
"1585559"	230.94322	"C20303"	"Chloroethylene oxide"	"C2H3ClO"	"77.9872"	"M+K+CF3COOH"	152.95602
"816415"	369.0761	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M"	0
"987274"	350.05771	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-H2O-H"	-19.01839
"74421"	245.043457333333	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M-3H"	-3.021828
"518363"	368.068824	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M-3H"	-3.021828
"893972"	122.018090666667	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-3H"	-3.021828
"5987"	368.068824	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M-2H"	-2.014552
"444453"	552.606874	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M-2H"	-2.014552
"825537"	183.530774	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-2H"	-2.014552
"85528"	737.144924	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M-H"	-1.007276
"522903"	1106.221024	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M-H"	-1.007276
"897547"	368.068824	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-H"	-1.007276
"48153"	754.171471	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M-2H+NH4"	16.019271
"489174"	1123.247571	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M-2H+NH4"	16.019271
"866978"	385.095371	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-2H+NH4"	16.019271
"32929"	759.126866	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M-2H+Na"	20.974666
"472245"	1128.202966	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M-2H+Na"	20.974666
"852241"	390.050766	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-2H+Na"	20.974666
"1621775"	390.050766	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Na-2H"	20.974666
"94777"	386.057163	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M-H+Cl"	33.962126
"536160"	570.595213	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M-H+Cl"	33.962126
"927607"	201.519113	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-H+Cl"	33.962126
"267741"	773.121602	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+Cl"	34.969402
"660654"	1142.197702	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+Cl"	34.969402
"1273304"	404.045502	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Cl"	34.969402
"20603"	775.100806	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M-2H+K"	36.948606
"462349"	1144.176906	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M-2H+K"	36.948606
"844528"	406.024706	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-2H+K"	36.948606
"1569840"	406.024706	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+K-2H"	36.948606
"955169"	414.074294	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-H+HCOOH"	44.998194
"373386"	783.150401	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+HCOOH-H"	44.998201
"357999"	797.166051	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+Hac-H"	59.013851
"1503551"	428.089951	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Hac-H"	59.013851
"970005"	436.056251	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-H+NaCOOH"	66.980151
"118914"	404.045502	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+2Cl"	69.938804
"554099"	588.583552	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+2Cl"	69.938804
"1022528"	219.507452	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2Cl"	69.938804
"1242228"	447.994985	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Br"	78.918885
"1311490"	450.050972	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Cl+HCOOH"	80.974872
"1334458"	472.032929	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Cl+NaCOOH"	102.956829
"924422"	482.061686	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M-H+CF3COOH"	112.985586
"1301131"	518.038364	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Cl+CF3COOH"	148.962264
"1381845"	334.063424	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H-2H2O"	-35.012676
"1396668"	352.0734	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H-H2O"	-17.0027
"296472"	739.159476	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+H"	1.007276
"683428"	1108.235576	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+H"	1.007276
"1361964"	370.083376	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H"	1.007276
"138134"	370.083376	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+2H"	2.014552
"580736"	554.621426	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+2H"	2.014552
"1051848"	185.545326	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2H"	2.014552
"217313"	247.058009333333	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+3H"	3.021828
"659435"	370.083376	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+3H"	3.021828
"1177807"	124.032642666667	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+3H"	3.021828
"438156"	756.186023	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+NH4"	18.033823
"794170"	1125.262123	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+NH4"	18.033823
"1691592"	387.109923	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+NH4"	18.033823
"338780"	378.5966495	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+H+NH4"	19.041099
"732294"	563.1346995	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+H+NH4"	19.041099
"1485021"	194.0585995	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H+NH4"	19.041099
"397141"	761.141418	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+Na"	22.989218
"758136"	1130.217518	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+Na"	22.989218
"1606233"	392.065318	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Na"	22.989218
"317365"	381.074347	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+H+Na"	23.996494
"710876"	565.612397	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+H+Na"	23.996494
"1466886"	196.536297	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H+Na"	23.996494
"1056847"	131.359956666667	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2H+Na"	25.00377
"1262902"	402.109586	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+CH3OH+H"	33.033486
"379652"	777.115358	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+K"	38.963158
"745751"	1146.191458	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+K"	38.963158
"1543429"	408.039258	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+K"	38.963158
"298905"	389.061317	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+H+K"	39.970434
"695221"	573.599367	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+H+K"	39.970434
"1451228"	204.523267	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H+K"	39.970434
"240923"	780.186026	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+ACN+H"	42.033826
"1211688"	411.109926	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+ACN+H"	42.033826
"1195815"	206.058601	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+ACN+2H"	43.041102
"194764"	783.12336	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+2Na-H"	44.97116
"635417"	1152.19946	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+2Na-H"	44.97116
"1142205"	414.04726	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2Na-H"	44.97116
"183308"	392.065318	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+2Na"	45.978436
"616309"	576.603368	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+2Na"	45.978436
"1122006"	207.527268	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2Na"	45.978436
"1405529"	138.687270666667	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H+2Na"	46.985712
"1438739"	416.088846	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H+HCOOH"	47.012746
"228435"	397.09834	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+3H2O+2H"	56.04448
"1517593"	430.14089	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+IsoProp+H"	61.06479
"417279"	400.052288	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+Na+K"	61.952376
"780461"	584.590338	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+Na+K"	61.952376
"1676790"	215.514238	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Na+K"	61.952376
"261123"	802.167968	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+ACN+Na"	64.015768
"1240029"	433.091868	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+ACN+Na"	64.015768
"1725637"	433.115393	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+NH4+HCOOH"	64.039293
"1190260"	146.014584666667	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+3Na"	68.967654
"1660157"	438.070788	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Na+HCOOH"	68.994688
"169569"	815.07124	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+2K-H"	76.91904
"599287"	1184.14734	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+2K-H"	76.91904
"1092182"	445.99514	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2K-H"	76.91904
"143897"	408.039258	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"2M+2K"	77.926316
"582604"	592.577308	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"3M+2K"	77.926316
"1076351"	223.501208	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2K"	77.926316
"1104092"	448.009692	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2K+H"	78.933592
"1339384"	448.097307	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+DMSO+H"	79.021207
"1008037"	452.136476	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2ACN+H"	83.060376
"1527134"	453.130108	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+IsoProp+Na+H"	84.054008
"996864"	226.571876	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+2ACN+2H"	84.067652
"1593554"	454.044728	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+K+HCOOH"	84.968628
"1427964"	484.076238	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+H+CF3COOH"	115.000138
"1158980"	247.085151	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+3ACN+2H"	125.094202
"1703431"	501.102785	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+NH4+CF3COOH"	132.026685
"1640175"	506.05818	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+Na+CF3COOH"	136.98208
"1585669"	522.03212	"C20304"	"S-(2-Chloroethyl)glutathione"	"C12H20ClN3O6S"	"369.0761"	"M+K+CF3COOH"	152.95602
"814942"	113.9639	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M"	0
"989086"	94.94551	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-H2O-H"	-19.01839
"74532"	74.9686573333333	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M-3H"	-3.021828
"514827"	112.956624	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M-3H"	-3.021828
"894570"	36.9806906666667	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-3H"	-3.021828
"8284"	112.956624	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M-2H"	-2.014552
"448938"	169.938574	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M-2H"	-2.014552
"824554"	55.974674	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-2H"	-2.014552
"85640"	226.920524	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M-H"	-1.007276
"518883"	340.884424	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M-H"	-1.007276
"895989"	112.956624	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-H"	-1.007276
"47366"	243.947071	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M-2H+NH4"	16.019271
"487335"	357.910971	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M-2H+NH4"	16.019271
"867088"	129.983171	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-2H+NH4"	16.019271
"32800"	248.902466	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M-2H+Na"	20.974666
"472362"	362.866366	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M-2H+Na"	20.974666
"856726"	134.938566	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-2H+Na"	20.974666
"1622981"	134.938566	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Na-2H"	20.974666
"99508"	130.944963	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M-H+Cl"	33.962126
"535057"	187.926913	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M-H+Cl"	33.962126
"927224"	73.963013	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-H+Cl"	33.962126
"267289"	262.897202	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+Cl"	34.969402
"660031"	376.861102	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+Cl"	34.969402
"1272810"	148.933302	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Cl"	34.969402
"20711"	264.876406	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M-2H+K"	36.948606
"459541"	378.840306	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M-2H+K"	36.948606
"844638"	150.912506	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-2H+K"	36.948606
"1570313"	150.912506	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+K-2H"	36.948606
"952727"	158.962094	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-H+HCOOH"	44.998194
"367663"	272.926001	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+HCOOH-H"	44.998201
"355922"	286.941651	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+Hac-H"	59.013851
"1497101"	172.977751	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Hac-H"	59.013851
"971207"	180.944051	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-H+NaCOOH"	66.980151
"120116"	148.933302	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+2Cl"	69.938804
"553116"	205.915252	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+2Cl"	69.938804
"1022036"	91.951352	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2Cl"	69.938804
"1241855"	192.882785	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Br"	78.918885
"1317068"	194.938772	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Cl+HCOOH"	80.974872
"1328005"	216.920729	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Cl+NaCOOH"	102.956829
"920155"	226.949486	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M-H+CF3COOH"	112.985586
"1300144"	262.926164	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Cl+CF3COOH"	148.962264
"1373931"	78.951224	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H-2H2O"	-35.012676
"1390333"	96.9612	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H-H2O"	-17.0027
"290018"	228.935076	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+H"	1.007276
"691073"	342.898976	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+H"	1.007276
"1365354"	114.971176	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H"	1.007276
"139338"	114.971176	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+2H"	2.014552
"581340"	171.953126	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+2H"	2.014552
"1047698"	57.989226	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2H"	2.014552
"215600"	76.9832093333333	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+3H"	3.021828
"658814"	114.971176	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+3H"	3.021828
"1172197"	38.9952426666667	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+3H"	3.021828
"436562"	245.961623	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+NH4"	18.033823
"795372"	359.925523	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+NH4"	18.033823
"1692796"	131.997723	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+NH4"	18.033823
"344352"	123.4844495	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+H+NH4"	19.041099
"734586"	180.4663995	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+H+NH4"	19.041099
"1487318"	66.5024995	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H+NH4"	19.041099
"401624"	250.917018	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+Na"	22.989218
"759339"	364.880918	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+Na"	22.989218
"1605251"	136.953118	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Na"	22.989218
"317476"	125.962147	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+H+Na"	23.996494
"709893"	182.944097	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+H+Na"	23.996494
"1463715"	68.980197	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H+Na"	23.996494
"1055501"	46.3225566666667	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2H+Na"	25.00377
"1261189"	146.997386	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+CH3OH+H"	33.033486
"381586"	266.890958	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+K"	38.963158
"743674"	380.854858	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+K"	38.963158
"1542447"	152.927058	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+K"	38.963158
"299986"	133.949117	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+H+K"	39.970434
"694966"	190.931067	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+H+K"	39.970434
"1450246"	76.967167	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H+K"	39.970434
"239940"	269.961626	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+ACN+H"	42.033826
"1212650"	155.997726	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+ACN+H"	42.033826
"1199815"	78.502501	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+ACN+2H"	43.041102
"191593"	272.89896	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+2Na-H"	44.97116
"632975"	386.86286	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+2Na-H"	44.97116
"1139034"	158.93506	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2Na-H"	44.97116
"184149"	136.953118	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+2Na"	45.978436
"619699"	193.935068	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+2Na"	45.978436
"1126489"	79.971168	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2Na"	45.978436
"1406003"	53.6498706666667	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H+2Na"	46.985712
"1438848"	160.976646	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H+HCOOH"	47.012746
"227452"	141.98614	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+3H2O+2H"	56.04448
"1520983"	175.02869	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+IsoProp+H"	61.06479
"419576"	144.940088	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+Na+K"	61.952376
"785313"	201.922038	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+Na+K"	61.952376
"1675807"	87.958138	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Na+K"	61.952376
"264514"	291.943568	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+ACN+Na"	64.015768
"1240140"	177.979668	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+ACN+Na"	64.015768
"1727203"	178.003193	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+NH4+HCOOH"	64.039293
"1192556"	60.9771846666667	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+3Na"	68.967654
"1663547"	182.958588	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Na+HCOOH"	68.994688
"170406"	304.84684	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+2K-H"	76.91904
"601584"	418.81074	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+2K-H"	76.91904
"1092292"	190.88294	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2K-H"	76.91904
"150206"	152.927058	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"2M+2K"	77.926316
"590858"	209.909008	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"3M+2K"	77.926316
"1078649"	95.945108	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2K"	77.926316
"1106391"	192.897492	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2K+H"	78.933592
"1339496"	192.985107	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+DMSO+H"	79.021207
"1012401"	197.024276	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2ACN+H"	83.060376
"1529433"	198.017908	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+IsoProp+Na+H"	84.054008
"996975"	99.015776	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+2ACN+2H"	84.067652
"1599862"	198.932528	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+K+HCOOH"	84.968628
"1428074"	228.964038	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+H+CF3COOH"	115.000138
"1159454"	119.529051	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+3ACN+2H"	125.094202
"1704634"	245.990585	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+NH4+CF3COOH"	132.026685
"1640285"	250.94598	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+Na+CF3COOH"	136.98208
"1585779"	266.91992	"C20305"	"12-Dichloroethanol"	"C2H4Cl2O"	"113.9639"	"M+K+CF3COOH"	152.95602
"815053"	60.0324	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M"	0
"987494"	41.01401	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-H2O-H"	-19.01839
"71361"	39.014324	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M-3H"	-3.021828
"515297"	59.025124	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M-3H"	-3.021828
"892008"	19.003524	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-3H"	-3.021828
"5114"	59.025124	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M-2H"	-2.014552
"445768"	89.041324	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M-2H"	-2.014552
"824665"	29.008924	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-2H"	-2.014552
"84657"	119.057524	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M-H"	-1.007276
"518549"	179.089924	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M-H"	-1.007276
"895671"	59.025124	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-H"	-1.007276
"47181"	136.084071	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M-2H+NH4"	16.019271
"488302"	196.116471	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M-2H+NH4"	16.019271
"866105"	76.051671	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-2H+NH4"	16.019271
"32910"	141.039466	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M-2H+Na"	20.974666
"471451"	201.071866	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M-2H+Na"	20.974666
"855743"	81.007066	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-2H+Na"	20.974666
"1624182"	81.007066	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Na-2H"	20.974666
"99618"	77.013463	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M-H+Cl"	33.962126
"534759"	107.029663	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M-H+Cl"	33.962126
"927119"	46.997263	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-H+Cl"	33.962126
"267172"	155.034202	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+Cl"	34.969402
"660099"	215.066602	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+Cl"	34.969402
"1272813"	95.001802	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Cl"	34.969402
"15907"	157.013406	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M-2H+K"	36.948606
"459651"	217.045806	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M-2H+K"	36.948606
"844748"	96.981006	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-2H+K"	36.948606
"1568237"	96.981006	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+K-2H"	36.948606
"947371"	105.030594	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-H+HCOOH"	44.998194
"366680"	165.063001	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+HCOOH-H"	44.998201
"356033"	179.078651	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+Hac-H"	59.013851
"1500491"	119.046251	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Hac-H"	59.013851
"966941"	127.012551	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-H+NaCOOH"	66.980151
"120227"	95.001802	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+2Cl"	69.938804
"553226"	125.018002	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+2Cl"	69.938804
"1021494"	64.985602	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2Cl"	69.938804
"1242329"	138.951285	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Br"	78.918885
"1316084"	141.007272	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Cl+HCOOH"	80.974872
"1329209"	162.989229	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Cl+NaCOOH"	102.956829
"918078"	173.017986	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M-H+CF3COOH"	112.985586
"1294787"	208.994664	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Cl+CF3COOH"	148.962264
"1370761"	25.019724	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H-2H2O"	-35.012676
"1387163"	43.0297	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H-H2O"	-17.0027
"289034"	121.072076	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+H"	1.007276
"683644"	181.104476	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+H"	1.007276
"1363278"	61.039676	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H"	1.007276
"138355"	61.039676	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+2H"	2.014552
"580958"	91.055876	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+2H"	2.014552
"1048901"	31.023476	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2H"	2.014552
"214617"	41.028876	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+3H"	3.021828
"659410"	61.039676	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+3H"	3.021828
"1169027"	21.018076	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+3H"	3.021828
"434486"	138.098623	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+NH4"	18.033823
"796576"	198.131023	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+NH4"	18.033823
"1691811"	78.066223	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+NH4"	18.033823
"337901"	69.5529495	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+H+NH4"	19.041099
"734696"	99.5691495	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+H+NH4"	19.041099
"1488517"	39.5367495	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H+NH4"	19.041099
"401734"	143.054018	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+Na"	22.989218
"756533"	203.086418	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+Na"	22.989218
"1603538"	83.021618	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Na"	22.989218
"315032"	72.030647	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+H+Na"	23.996494
"707449"	102.046847	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+H+Na"	23.996494
"1463458"	42.014447	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H+Na"	23.996494
"1053789"	28.34539	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2H+Na"	25.00377
"1259478"	93.065886	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+CH3OH+H"	33.033486
"379510"	159.027958	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+K"	38.963158
"740505"	219.060358	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+K"	38.963158
"1540326"	98.995558	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+K"	38.963158
"299121"	80.017617	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+H+K"	39.970434
"693255"	110.033817	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+H+K"	39.970434
"1448168"	50.001417	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H+K"	39.970434
"237864"	162.098626	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+ACN+H"	42.033826
"1212760"	102.066226	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+ACN+H"	42.033826
"1199925"	51.536751	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+ACN+2H"	43.041102
"191704"	165.03596	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+2Na-H"	44.97116
"637825"	225.06836	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+2Na-H"	44.97116
"1139144"	105.00356	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2Na-H"	44.97116
"183529"	83.021618	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+2Na"	45.978436
"621996"	113.037818	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+2Na"	45.978436
"1127692"	53.005418	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2Na"	45.978436
"1405749"	35.672704	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H+2Na"	46.985712
"1437865"	107.045146	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H+HCOOH"	47.012746
"227562"	88.05464	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+3H2O+2H"	56.04448
"1521093"	121.09719	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+IsoProp+H"	61.06479
"419686"	91.008588	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+Na+K"	61.952376
"781777"	121.024788	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+Na+K"	61.952376
"1674824"	60.992388	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Na+K"	61.952376
"262437"	184.080568	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+ACN+Na"	64.015768
"1240251"	124.048168	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+ACN+Na"	64.015768
"1725858"	124.071693	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+NH4+HCOOH"	64.039293
"1191573"	43.000018	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+3Na"	68.967654
"1656001"	129.027088	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Na+HCOOH"	68.994688
"169422"	196.98384	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+2K-H"	76.91904
"598288"	257.01624	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+2K-H"	76.91904
"1092402"	136.95144	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2K-H"	76.91904
"143753"	98.995558	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"2M+2K"	77.926316
"581973"	129.011758	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"3M+2K"	77.926316
"1072197"	68.979358	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2K"	77.926316
"1100301"	138.965992	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2K+H"	78.933592
"1336199"	139.053607	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+DMSO+H"	79.021207
"1011418"	143.092776	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2ACN+H"	83.060376
"1529543"	144.086408	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+IsoProp+Na+H"	84.054008
"995992"	72.050026	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+2ACN+2H"	84.067652
"1600336"	145.001028	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+K+HCOOH"	84.968628
"1428184"	175.032538	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+H+CF3COOH"	115.000138
"1159564"	92.563301	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+3ACN+2H"	125.094202
"1703651"	192.059085	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+NH4+CF3COOH"	132.026685
"1639302"	197.01448	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+Na+CF3COOH"	136.98208
"1585889"	212.98842	"C20306"	"Methyldiazohydroxide"	"CH4N2O"	"60.0324"	"M+K+CF3COOH"	152.95602
"816134"	220.1827	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M"	0
"988577"	201.16431	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"72564"	145.781190666667	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"516500"	219.175424	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"893211"	72.3869573333333	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"7411"	219.175424	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"446971"	329.266774	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"826961"	109.084074	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"86952"	439.358124	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"518982"	659.540824	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"896527"	219.175424	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"47866"	456.384671	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"487682"	676.567371	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"866215"	236.201971	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"34113"	461.340066	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"471765"	681.522766	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"854759"	241.157366	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1625385"	241.157366	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"99728"	237.163763	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"537099"	347.255113	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"927282"	127.072413	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"267830"	475.334802	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"660131"	695.517502	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1273259"	255.152102	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"16144"	477.314006	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"458301"	697.496706	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"842670"	257.131306	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1561785"	257.131306	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"947477"	265.180894	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"366421"	485.363601	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"350675"	499.379251	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1496228"	279.196551	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"965958"	287.162851	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"122523"	255.152102	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"557710"	365.243452	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1023226"	145.060752	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1244262"	299.101585	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1311821"	301.157572	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1331505"	323.139529	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"918188"	333.168286	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1298177"	369.144964	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1371964"	185.170024	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1387273"	203.18	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"289144"	441.372676	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"683754"	661.555376	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1363384"	221.189976	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H"	1.007276
"134090"	221.189976	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"573650"	331.281326	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1046824"	111.098626	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"218006"	147.795742666667	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"659033"	221.189976	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1173511"	74.4015093333333	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"436783"	458.399223	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"797780"	678.581923	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1691921"	238.216523	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"342385"	229.7032495	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"733714"	339.7945995	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1488628"	119.6118995	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"400750"	463.354618	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"760653"	683.537318	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1606564"	243.171918	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"316235"	232.180947	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"709021"	342.272297	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1462841"	122.089597	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1054263"	81.7288233333333	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1262139"	253.216186	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"378891"	479.328558	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"741708"	699.511258	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1541326"	259.145858	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+K"	38.963158
"299596"	240.167917	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"694823"	350.259267	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1448278"	130.076567	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"239067"	482.399226	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1212869"	262.216526	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1198942"	131.611901	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"193271"	485.33656	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"636842"	705.51926	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1138161"	265.15386	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"179265"	243.171918	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"623201"	353.263268	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1126709"	133.080568	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1406952"	89.0561373333333	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1439068"	267.195446	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"226579"	248.20494	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1520839"	281.24749	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417609"	251.158888	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"779701"	361.250238	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1674934"	141.067538	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"261454"	504.381168	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1237081"	284.198468	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1723415"	284.221993	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1190591"	96.3834513333333	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1656111"	289.177388	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"167345"	517.28444	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"601438"	737.46714	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1089231"	297.10174	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"142402"	259.145858	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"583419"	369.237208	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1072305"	149.054508	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1104422"	299.116292	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1336552"	299.203907	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1005852"	303.243076	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1526372"	304.236708	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"996102"	152.125176	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1598625"	305.151328	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1427201"	335.182838	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1156394"	172.638451	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1703761"	352.209385	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1639412"	357.16478	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1585999"	373.13872	"C20307"	"Artemisinic alcohol"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"816365"	218.1671	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M"	0
"989871"	199.14871	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-H2O-H"	-19.01839
"77052"	144.437457333333	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M-3H"	-3.021828
"510054"	217.159824	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M-3H"	-3.021828
"890042"	71.7150906666667	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-3H"	-3.021828
"11897"	217.159824	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M-2H"	-2.014552
"442711"	326.243374	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M-2H"	-2.014552
"820513"	108.076274	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-2H"	-2.014552
"79771"	435.326924	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M-H"	-1.007276
"522251"	653.494024	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M-H"	-1.007276
"896769"	217.159824	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-H"	-1.007276
"48960"	452.353471	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M-2H+NH4"	16.019271
"489005"	670.520571	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M-2H+NH4"	16.019271
"866443"	234.186371	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-2H+NH4"	16.019271
"35318"	457.308866	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M-2H+Na"	20.974666
"478160"	675.475966	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M-2H+Na"	20.974666
"857055"	239.141766	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-2H+Na"	20.974666
"1629870"	239.141766	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Na-2H"	20.974666
"102026"	235.148163	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M-H+Cl"	33.962126
"539396"	344.231713	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M-H+Cl"	33.962126
"932184"	126.064613	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-H+Cl"	33.962126
"268309"	471.303602	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+Cl"	34.969402
"663162"	689.470702	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+Cl"	34.969402
"1273983"	253.136502	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Cl"	34.969402
"18123"	473.282806	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M-2H+K"	36.948606
"460964"	691.449906	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M-2H+K"	36.948606
"842780"	255.115706	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-2H+K"	36.948606
"1566270"	255.115706	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+K-2H"	36.948606
"950871"	263.165294	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-H+HCOOH"	44.998194
"365810"	481.332401	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+HCOOH-H"	44.998201
"349692"	495.348051	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+Hac-H"	59.013851
"1506911"	277.180951	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Hac-H"	59.013851
"970448"	285.147251	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-H+NaCOOH"	66.980151
"120445"	253.136502	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+2Cl"	69.938804
"555633"	362.220052	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+2Cl"	69.938804
"1024433"	144.052952	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2Cl"	69.938804
"1243282"	297.085985	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Br"	78.918885
"1313024"	299.141972	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Cl+HCOOH"	80.974872
"1332713"	321.123929	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Cl+NaCOOH"	102.956829
"924500"	331.152686	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M-H+CF3COOH"	112.985586
"1301570"	367.129364	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Cl+CF3COOH"	148.962264
"1378640"	183.154424	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H-2H2O"	-35.012676
"1395040"	201.1644	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H-H2O"	-17.0027
"296911"	437.341476	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+H"	1.007276
"690918"	655.508576	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+H"	1.007276
"1366051"	219.174376	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H"	1.007276
"140398"	219.174376	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+2H"	2.014552
"579959"	328.257926	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+2H"	2.014552
"1050951"	110.090826	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2H"	2.014552
"215204"	146.452009333333	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+3H"	3.021828
"654403"	219.174376	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+3H"	3.021828
"1173622"	73.7296426666667	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+3H"	3.021828
"430333"	454.368023	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+NH4"	18.033823
"793517"	672.535123	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+NH4"	18.033823
"1690941"	236.200923	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+NH4"	18.033823
"337033"	227.6876495	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+H+NH4"	19.041099
"734922"	336.7711995	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+H+NH4"	19.041099
"1487648"	118.6040995	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H+NH4"	19.041099
"399768"	459.323418	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+Na"	22.989218
"757484"	677.490518	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+Na"	22.989218
"1606675"	241.156318	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Na"	22.989218
"315131"	230.165347	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+H+Na"	23.996494
"708281"	339.248897	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+H+Na"	23.996494
"1464044"	121.081797	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H+Na"	23.996494
"1056196"	81.0569566666667	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2H+Na"	25.00377
"1264435"	251.200586	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+CH3OH+H"	33.033486
"380823"	475.297358	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+K"	38.963158
"741818"	693.464458	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+K"	38.963158
"1543870"	257.130258	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+K"	38.963158
"304329"	238.152317	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+H+K"	39.970434
"692987"	347.235867	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+H+K"	39.970434
"1451669"	129.068767	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H+K"	39.970434
"239178"	478.368026	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+ACN+H"	42.033826
"1214074"	260.200926	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+ACN+H"	42.033826
"1196500"	130.604101	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+ACN+2H"	43.041102
"198486"	481.30536	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+2Na-H"	44.97116
"634766"	699.47246	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+2Na-H"	44.97116
"1135355"	263.13826	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2Na-H"	44.97116
"183749"	241.156318	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+2Na"	45.978436
"623314"	350.239868	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+2Na"	45.978436
"1126820"	132.072768	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2Na"	45.978436
"1409620"	88.3842706666667	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H+2Na"	46.985712
"1442097"	265.179846	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H+HCOOH"	47.012746
"231432"	246.18934	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+3H2O+2H"	56.04448
"1520224"	279.23189	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+IsoProp+H"	61.06479
"416626"	249.143288	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+Na+K"	61.952376
"779808"	358.226838	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+Na+K"	61.952376
"1676872"	140.059738	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Na+K"	61.952376
"261569"	500.349968	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+ACN+Na"	64.015768
"1231365"	282.182868	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+ACN+Na"	64.015768
"1718064"	282.206393	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+NH4+HCOOH"	64.039293
"1188517"	95.7115846666667	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+3Na"	68.967654
"1658409"	287.161788	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Na+HCOOH"	68.994688
"160533"	513.25324	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+2K-H"	76.91904
"602644"	731.42034	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+2K-H"	76.91904
"1090437"	295.08614	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2K-H"	76.91904
"142879"	257.130258	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"2M+2K"	77.926316
"587904"	366.213808	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"3M+2K"	77.926316
"1075697"	148.046708	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2K"	77.926316
"1101130"	297.100692	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2K+H"	78.933592
"1336788"	297.188307	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+DMSO+H"	79.021207
"1008359"	301.227476	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2ACN+H"	83.060376
"1530860"	302.221108	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+IsoProp+Na+H"	84.054008
"999494"	151.117376	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+2ACN+2H"	84.067652
"1597279"	303.135728	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+K+HCOOH"	84.968628
"1425125"	333.167238	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+H+CF3COOH"	115.000138
"1160881"	171.630651	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+3ACN+2H"	125.094202
"1709337"	350.193785	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+NH4+CF3COOH"	132.026685
"1648268"	355.14918	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+Na+CF3COOH"	136.98208
"1586109"	371.12312	"C20308"	"Artemisinic aldehyde"	"C15H22O"	"218.1671"	"M+K+CF3COOH"	152.95602
"803717"	234.162	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M"	0
"988795"	215.14361	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"72783"	155.100724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"517209"	233.154724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"894160"	77.046724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"13098"	233.154724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"453388"	350.235724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"830460"	116.073724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"83892"	467.316724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"522361"	701.478724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"897368"	233.154724	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"51258"	484.343271	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"493006"	718.505271	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"867526"	250.181271	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"33240"	489.298666	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"477175"	723.460666	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"861539"	255.136666	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1625604"	255.136666	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"99947"	251.143063	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"535498"	368.224063	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"927919"	134.062063	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"271216"	503.293402	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"665459"	737.455402	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1273972"	269.131402	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"19690"	505.272606	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"458154"	739.434606	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"843988"	271.110606	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1567474"	271.110606	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"949890"	279.160194	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"369201"	513.322201	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"350896"	527.337851	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1499731"	293.175851	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"972744"	301.142151	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"123472"	269.131402	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"557930"	386.212402	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1030010"	152.050402	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1243025"	313.080885	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1317510"	315.136872	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1330632"	337.118829	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"923878"	347.147586	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1302409"	383.124264	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1378751"	199.149324	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1397337"	217.1593	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"293741"	469.331276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"690175"	703.493276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1365798"	235.169276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H"	1.007276
"138321"	235.169276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"581045"	352.250276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1052154"	118.088276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"219207"	157.115276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"654513"	235.169276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1170451"	79.061276	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"435545"	486.357823	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"795812"	720.519823	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1693965"	252.195823	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"344432"	243.6825495	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"737826"	360.7635495	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1489944"	126.6015495	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"404253"	491.313218	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"759781"	725.475218	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1610066"	257.151218	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"320101"	246.160247	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"711429"	363.241247	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1465248"	129.079247	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1055212"	86.38859	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1267823"	267.195486	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"380933"	507.287158	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"743022"	741.449158	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1542890"	273.125158	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+K"	38.963158
"301164"	254.147217	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"694678"	371.228217	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1452872"	137.066217	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"242568"	510.357826	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1216371"	276.195826	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1196611"	138.601551	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"200783"	513.29516	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"633782"	747.45716	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1140569"	279.13316	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"188456"	257.151218	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"624516"	374.232218	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1129115"	140.070218	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1410453"	93.715904	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1441479"	281.174746	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"231173"	262.18424	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1515956"	295.22679	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"421476"	265.138188	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"779924"	382.219188	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1678441"	148.057188	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"264954"	532.339768	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1239488"	298.177768	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1724365"	298.201293	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1183160"	101.043218	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1652688"	303.156688	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"162102"	545.24304	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"601662"	779.40504	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1092734"	311.08104	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"151735"	273.125158	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"584005"	390.206158	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1070343"	156.044158	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1101241"	313.095592	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1338112"	313.183207	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1006884"	317.222376	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1530968"	318.216008	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1000698"	159.114826	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1598481"	319.130628	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1427422"	349.162138	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1156615"	179.628101	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1711513"	366.188685	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1644004"	371.14408	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1586219"	387.11802	"C20309"	"Artemisinate;Artemisinic acid"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"815376"	147.0895	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M"	0
"989638"	128.07111	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-H2O-H"	-19.01839
"77394"	97.0523906666667	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M-3H"	-3.021828
"512461"	146.082224	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M-3H"	-3.021828
"889169"	48.0225573333333	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-3H"	-3.021828
"12118"	146.082224	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M-2H"	-2.014552
"452770"	219.626974	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M-2H"	-2.014552
"821826"	72.537474	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-2H"	-2.014552
"81086"	293.171724	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M-H"	-1.007276
"519919"	440.261224	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M-H"	-1.007276
"895932"	146.082224	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-H"	-1.007276
"48452"	310.198271	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M-2H+NH4"	16.019271
"494212"	457.287771	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M-2H+NH4"	16.019271
"866543"	163.108771	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-2H+NH4"	16.019271
"39912"	315.153666	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M-2H+Na"	20.974666
"478380"	462.243166	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M-2H+Na"	20.974666
"861650"	168.064166	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-2H+Na"	20.974666
"1632276"	168.064166	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Na-2H"	20.974666
"103340"	164.070563	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M-H+Cl"	33.962126
"539619"	237.615313	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M-H+Cl"	33.962126
"927334"	90.525813	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-H+Cl"	33.962126
"269867"	329.148402	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+Cl"	34.969402
"663746"	476.237902	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+Cl"	34.969402
"1273880"	182.058902	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Cl"	34.969402
"20167"	331.127606	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M-2H+K"	36.948606
"458265"	478.217106	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M-2H+K"	36.948606
"846286"	184.038106	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-2H+K"	36.948606
"1567585"	184.038106	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+K-2H"	36.948606
"952190"	192.087694	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-H+HCOOH"	44.998194
"372592"	339.177201	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+HCOOH-H"	44.998201
"353193"	353.192851	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+Hac-H"	59.013851
"1507015"	206.103351	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Hac-H"	59.013851
"973218"	214.069651	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-H+NaCOOH"	66.980151
"123946"	182.058902	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+2Cl"	69.938804
"556948"	255.603652	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+2Cl"	69.938804
"1032307"	108.514152	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2Cl"	69.938804
"1246421"	226.008385	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Br"	78.918885
"1315432"	228.064372	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Cl+HCOOH"	80.974872
"1332928"	250.046329	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Cl+NaCOOH"	102.956829
"920705"	260.075086	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M-H+CF3COOH"	112.985586
"1299602"	296.051764	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Cl+CF3COOH"	148.962264
"1381044"	112.076824	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H-2H2O"	-35.012676
"1397447"	130.0868	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H-H2O"	-17.0027
"293851"	295.186276	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+H"	1.007276
"687366"	442.275776	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+H"	1.007276
"1365182"	148.096776	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H"	1.007276
"140376"	148.096776	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+2H"	2.014552
"581083"	221.641526	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+2H"	2.014552
"1050081"	74.552026	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2H"	2.014552
"218710"	99.0669426666667	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+3H"	3.021828
"656447"	148.096776	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+3H"	3.021828
"1173841"	50.0371093333333	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+3H"	3.021828
"437845"	312.212823	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+NH4"	18.033823
"794829"	459.302323	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+NH4"	18.033823
"1693713"	165.123323	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+NH4"	18.033823
"344542"	156.6100495	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+H+NH4"	19.041099
"735871"	230.1547995	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+H+NH4"	19.041099
"1490786"	83.0652995	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H+NH4"	19.041099
"403269"	317.168218	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+Na"	22.989218
"757704"	464.257718	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+Na"	22.989218
"1605803"	170.078718	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Na"	22.989218
"319120"	159.087747	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+H+Na"	23.996494
"710448"	232.632497	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+H+Na"	23.996494
"1466454"	85.542997	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H+Na"	23.996494
"1054353"	57.3644233333333	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2H+Na"	25.00377
"1263561"	180.122986	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+CH3OH+H"	33.033486
"384325"	333.142158	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+K"	38.963158
"743132"	480.231658	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+K"	38.963158
"1540813"	186.052658	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+K"	38.963158
"301274"	167.074717	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+H+K"	39.970434
"698068"	240.619467	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+H+K"	39.970434
"1452982"	93.529967	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H+K"	39.970434
"242678"	336.212826	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+ACN+H"	42.033826
"1216481"	189.123326	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+ACN+H"	42.033826
"1196357"	95.065301	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+ACN+2H"	43.041102
"201987"	339.15016	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+2Na-H"	44.97116
"638267"	486.23966	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+2Na-H"	44.97116
"1145906"	192.06066	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2Na-H"	44.97116
"182880"	170.078718	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+2Na"	45.978436
"623534"	243.623468	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+2Na"	45.978436
"1127038"	96.533968	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2Na"	45.978436
"1412753"	64.6917373333333	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H+2Na"	46.985712
"1443654"	194.102246	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H+HCOOH"	47.012746
"233837"	175.11174	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+3H2O+2H"	56.04448
"1521534"	208.15429	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+IsoProp+H"	61.06479
"418675"	178.065688	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+Na+K"	61.952376
"781128"	251.610438	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+Na+K"	61.952376
"1677095"	104.520938	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Na+K"	61.952376
"263250"	358.194768	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+ACN+Na"	64.015768
"1233407"	211.105268	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+ACN+Na"	64.015768
"1723749"	211.128793	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+NH4+HCOOH"	64.039293
"1189830"	72.0190513333333	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+3Na"	68.967654
"1658631"	216.084188	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Na+HCOOH"	68.994688
"158202"	371.09804	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+2K-H"	76.91904
"601771"	518.18754	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+2K-H"	76.91904
"1085555"	224.00854	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2K-H"	76.91904
"144192"	186.052658	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"2M+2K"	77.926316
"581685"	259.597408	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"3M+2K"	77.926316
"1070208"	112.507908	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2K"	77.926316
"1103665"	226.023092	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2K+H"	78.933592
"1337862"	226.110707	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+DMSO+H"	79.021207
"1012952"	230.149876	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2ACN+H"	83.060376
"1525613"	231.143508	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+IsoProp+Na+H"	84.054008
"995342"	115.578576	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+2ACN+2H"	84.067652
"1600781"	232.058128	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+K+HCOOH"	84.968628
"1423159"	262.089638	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+H+CF3COOH"	115.000138
"1162073"	136.091851	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+3ACN+2H"	125.094202
"1711381"	279.116185	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+NH4+CF3COOH"	132.026685
"1641927"	284.07158	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+Na+CF3COOH"	136.98208
"1586329"	300.04552	"C20310"	"N-Hydroxy-L-isoleucine"	"C6H13NO3"	"147.0895"	"M+K+CF3COOH"	152.95602
"803573"	163.0845	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M"	0
"977106"	144.06611	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-H2O-H"	-19.01839
"77868"	107.715724	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M-3H"	-3.021828
"516945"	162.077224	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M-3H"	-3.021828
"893653"	53.354224	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-3H"	-3.021828
"14294"	162.077224	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M-2H"	-2.014552
"451787"	243.619474	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M-2H"	-2.014552
"824124"	80.534974	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-2H"	-2.014552
"81926"	325.161724	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M-H"	-1.007276
"519418"	488.246224	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M-H"	-1.007276
"897101"	162.077224	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-H"	-1.007276
"48562"	342.188271	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M-2H+NH4"	16.019271
"493226"	505.272771	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M-2H+NH4"	16.019271
"867017"	179.103771	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-2H+NH4"	16.019271
"37835"	347.143666	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M-2H+Na"	20.974666
"474115"	510.228166	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M-2H+Na"	20.974666
"861760"	184.059166	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-2H+Na"	20.974666
"1632265"	184.059166	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Na-2H"	20.974666
"103450"	180.065563	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M-H+Cl"	33.962126
"540824"	261.607813	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M-H+Cl"	33.962126
"930328"	98.523313	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-H+Cl"	33.962126
"273990"	361.138402	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+Cl"	34.969402
"662399"	524.222902	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+Cl"	34.969402
"1281002"	198.053902	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Cl"	34.969402
"25747"	363.117606	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M-2H+K"	36.948606
"457647"	526.202106	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M-2H+K"	36.948606
"845303"	200.033106	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-2H+K"	36.948606
"1567697"	200.033106	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+K-2H"	36.948606
"951206"	208.082694	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-H+HCOOH"	44.998194
"372703"	371.167201	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+HCOOH-H"	44.998201
"352212"	385.182851	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+Hac-H"	59.013851
"1506152"	222.098351	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Hac-H"	59.013851
"972598"	230.064651	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-H+NaCOOH"	66.980151
"122963"	198.053902	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+2Cl"	69.938804
"555965"	279.596152	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+2Cl"	69.938804
"1028044"	116.511652	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2Cl"	69.938804
"1245436"	242.003385	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Br"	78.918885
"1310072"	244.059372	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Cl+HCOOH"	80.974872
"1328664"	266.041329	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Cl+NaCOOH"	102.956829
"912431"	276.070086	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M-H+CF3COOH"	112.985586
"1295334"	312.046764	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Cl+CF3COOH"	148.962264
"1374589"	128.071824	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H-2H2O"	-35.012676
"1393182"	146.0818	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H-H2O"	-17.0027
"290680"	327.176276	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+H"	1.007276
"682009"	490.260776	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+H"	1.007276
"1362735"	164.091776	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H"	1.007276
"140000"	164.091776	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+2H"	2.014552
"579936"	245.634026	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+2H"	2.014552
"1051163"	82.549526	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2H"	2.014552
"218214"	109.730276	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+3H"	3.021828
"656557"	164.091776	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+3H"	3.021828
"1170671"	55.368776	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+3H"	3.021828
"437591"	344.202823	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+NH4"	18.033823
"797855"	507.287323	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+NH4"	18.033823
"1694550"	181.118323	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+NH4"	18.033823
"344288"	172.6050495	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+H+NH4"	19.041099
"734158"	254.1472995	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+H+NH4"	19.041099
"1490166"	91.0627995	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H+NH4"	19.041099
"400099"	349.158218	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+Na"	22.989218
"760000"	512.242718	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+Na"	22.989218
"1605913"	186.073718	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Na"	22.989218
"320322"	175.082747	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+H+Na"	23.996494
"709464"	256.624997	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+H+Na"	23.996494
"1462433"	93.540497	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H+Na"	23.996494
"1055436"	62.69609	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2H+Na"	25.00377
"1263674"	196.117986	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+CH3OH+H"	33.033486
"381155"	365.132158	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+K"	38.963158
"739959"	528.216658	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+K"	38.963158
"1541285"	202.047658	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+K"	38.963158
"301384"	183.069717	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+H+K"	39.970434
"698178"	264.611967	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+H+K"	39.970434
"1449812"	101.527467	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H+K"	39.970434
"242788"	368.202826	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+ACN+H"	42.033826
"1214404"	205.118326	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+ACN+H"	42.033826
"1196466"	103.062801	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+ACN+2H"	43.041102
"199911"	371.14016	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+2Na-H"	44.97116
"640564"	534.22466	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+2Na-H"	44.97116
"1146261"	208.05566	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2Na-H"	44.97116
"182990"	186.073718	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+2Na"	45.978436
"622551"	267.615968	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+2Na"	45.978436
"1128243"	104.531468	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2Na"	45.978436
"1409947"	70.023404	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H+2Na"	46.985712
"1442790"	210.097246	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H+HCOOH"	47.012746
"230301"	191.10674	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+3H2O+2H"	56.04448
"1520916"	224.14929	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+IsoProp+H"	61.06479
"420605"	194.060688	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+Na+K"	61.952376
"778686"	275.602938	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+Na+K"	61.952376
"1675016"	112.518438	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Na+K"	61.952376
"264085"	390.184768	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+ACN+Na"	64.015768
"1233516"	227.100268	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+ACN+Na"	64.015768
"1719121"	227.123793	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+NH4+HCOOH"	64.039293
"1187753"	77.350718	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+3Na"	68.967654
"1654725"	232.079188	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Na+HCOOH"	68.994688
"159043"	403.08804	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+2K-H"	76.91904
"600789"	566.17254	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+2K-H"	76.91904
"1089675"	240.00354	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2K-H"	76.91904
"142844"	202.047658	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"2M+2K"	77.926316
"581713"	283.589908	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"3M+2K"	77.926316
"1069833"	120.505408	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2K"	77.926316
"1104869"	242.018092	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2K+H"	78.933592
"1336879"	242.105707	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+DMSO+H"	79.021207
"1011969"	246.144876	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2ACN+H"	83.060376
"1527910"	247.138508	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+IsoProp+Na+H"	84.054008
"995452"	123.576076	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+2ACN+2H"	84.067652
"1601742"	248.053128	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+K+HCOOH"	84.968628
"1426549"	278.084638	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+H+CF3COOH"	115.000138
"1161089"	144.089351	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+3ACN+2H"	125.094202
"1710762"	295.111185	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+NH4+CF3COOH"	132.026685
"1642037"	300.06658	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+Na+CF3COOH"	136.98208
"1586439"	316.04052	"C20311"	"NN-Dihydroxy-L-isoleucine"	"C6H13NO4"	"163.0845"	"M+K+CF3COOH"	152.95602
"806963"	101.0841	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M"	0
"982683"	82.06571	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H2O-H"	-19.01839
"76396"	66.382124	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-3H"	-3.021828
"517992"	100.076824	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-3H"	-3.021828
"895560"	32.687424	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-3H"	-3.021828
"14404"	100.076824	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H"	-2.014552
"454084"	150.618874	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H"	-2.014552
"831282"	49.534774	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H"	-2.014552
"84223"	201.160924	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-H"	-1.007276
"524878"	302.245024	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-H"	-1.007276
"897213"	100.076824	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H"	-1.007276
"49402"	218.187471	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H+NH4"	16.019271
"490056"	319.271571	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H+NH4"	16.019271
"865056"	117.103371	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H+NH4"	16.019271
"32841"	223.142866	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H+Na"	20.974666
"476412"	324.226966	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H+Na"	20.974666
"855309"	122.058766	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H+Na"	20.974666
"1629216"	122.058766	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na-2H"	20.974666
"105746"	118.065163	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-H+Cl"	33.962126
"545308"	168.607213	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-H+Cl"	33.962126
"931167"	67.523113	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+Cl"	33.962126
"279567"	237.137602	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Cl"	34.969402
"662873"	338.221702	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+Cl"	34.969402
"1284392"	136.053502	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl"	34.969402
"29624"	239.116806	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M-2H+K"	36.948606
"457878"	340.200906	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M-2H+K"	36.948606
"847604"	138.032706	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-2H+K"	36.948606
"1569633"	138.032706	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K-2H"	36.948606
"955691"	146.082294	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+HCOOH"	44.998194
"375366"	247.166401	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+HCOOH-H"	44.998201
"354507"	261.182051	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Hac-H"	59.013851
"1508256"	160.097951	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Hac-H"	59.013851
"973566"	168.064251	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+NaCOOH"	66.980151
"125024"	136.053502	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2Cl"	69.938804
"564459"	186.595552	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2Cl"	69.938804
"1036296"	85.511452	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2Cl"	69.938804
"1256241"	180.002985	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Br"	78.918885
"1311275"	182.058972	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl+HCOOH"	80.974872
"1333149"	204.040929	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl+NaCOOH"	102.956829
"920924"	214.069686	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M-H+CF3COOH"	112.985586
"1295445"	250.046364	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Cl+CF3COOH"	148.962264
"1377981"	66.071424	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H-2H2O"	-35.012676
"1394385"	84.0814	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H-H2O"	-17.0027
"295163"	203.175476	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H"	1.007276
"689774"	304.259576	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H"	1.007276
"1365761"	102.091376	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H"	1.007276
"141084"	102.091376	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2H"	2.014552
"576386"	152.633426	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2H"	2.014552
"1049562"	51.549326	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2H"	2.014552
"219054"	68.396676	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+3H"	3.021828
"657640"	102.091376	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+3H"	3.021828
"1175766"	34.701976	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+3H"	3.021828
"436241"	220.202023	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+NH4"	18.033823
"798328"	321.286123	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+NH4"	18.033823
"1696127"	119.117923	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+NH4"	18.033823
"343306"	110.6046495	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H+NH4"	19.041099
"736459"	161.1466995	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H+NH4"	19.041099
"1489186"	60.0625995	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+NH4"	19.041099
"403490"	225.157418	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Na"	22.989218
"764485"	326.241518	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+Na"	22.989218
"1610396"	124.073318	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na"	22.989218
"325538"	113.082347	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H+Na"	23.996494
"711762"	163.624397	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H+Na"	23.996494
"1465582"	62.540297	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+Na"	23.996494
"1055547"	42.02929	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2H+Na"	25.00377
"1268158"	134.117586	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+CH3OH+H"	33.033486
"381266"	241.131358	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+K"	38.963158
"744445"	342.215458	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+K"	38.963158
"1542126"	140.047258	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K"	38.963158
"308056"	121.069317	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+H+K"	39.970434
"698289"	171.611367	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+H+K"	39.970434
"1456484"	70.527267	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+K"	39.970434
"240714"	244.202026	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+ACN+H"	42.033826
"1215609"	143.117926	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+ACN+H"	42.033826
"1195848"	72.062601	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+ACN+2H"	43.041102
"201114"	247.13936	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2Na-H"	44.97116
"634114"	348.22346	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2Na-H"	44.97116
"1139808"	146.05526	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2Na-H"	44.97116
"176900"	124.073318	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2Na"	45.978436
"622659"	174.615368	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2Na"	45.978436
"1128350"	73.531268	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2Na"	45.978436
"1410785"	49.356604	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+2Na"	46.985712
"1441806"	148.096846	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+HCOOH"	47.012746
"233568"	129.10634	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+3H2O+2H"	56.04448
"1521754"	162.14889	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+IsoProp+H"	61.06479
"421439"	132.060288	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+Na+K"	61.952376
"783531"	182.602338	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+Na+K"	61.952376
"1676221"	81.518238	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na+K"	61.952376
"263101"	266.183968	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+ACN+Na"	64.015768
"1236904"	165.099868	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+ACN+Na"	64.015768
"1722509"	165.123393	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+NH4+HCOOH"	64.039293
"1189683"	56.683918	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+3Na"	68.967654
"1654835"	170.078788	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na+HCOOH"	68.994688
"161340"	279.08724	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2K-H"	76.91904
"608188"	380.17134	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2K-H"	76.91904
"1095252"	178.00314	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2K-H"	76.91904
"146600"	140.047258	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"2M+2K"	77.926316
"581904"	190.589308	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"3M+2K"	77.926316
"1069698"	89.505208	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2K"	77.926316
"1103885"	180.017692	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2K+H"	78.933592
"1340270"	180.105307	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+DMSO+H"	79.021207
"1012079"	184.144476	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2ACN+H"	83.060376
"1533486"	185.138108	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+IsoProp+Na+H"	84.054008
"995562"	92.575876	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+2ACN+2H"	84.067652
"1602339"	186.052728	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K+HCOOH"	84.968628
"1426659"	216.084238	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+H+CF3COOH"	115.000138
"1161199"	113.089151	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+3ACN+2H"	125.094202
"1711480"	233.110785	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+NH4+CF3COOH"	132.026685
"1642147"	238.06618	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+Na+CF3COOH"	136.98208
"1586549"	254.04012	"C20312"	"(Z)-2-Methylbutanal oxime"	"C5H11NO"	"101.0841"	"M+K+CF3COOH"	152.95602
"803793"	133.0739	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M"	0
"982793"	114.05551	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-H2O-H"	-19.01839
"75414"	87.7086573333333	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M-3H"	-3.021828
"512791"	132.066624	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M-3H"	-3.021828
"889497"	43.3506906666667	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-3H"	-3.021828
"10260"	132.066624	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M-2H"	-2.014552
"449819"	198.603574	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M-2H"	-2.014552
"825435"	65.529674	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-2H"	-2.014552
"83239"	265.140524	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M-H"	-1.007276
"518910"	398.214424	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M-H"	-1.007276
"897563"	132.066624	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-H"	-1.007276
"50605"	282.167071	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M-2H+NH4"	16.019271
"487854"	415.240971	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M-2H+NH4"	16.019271
"866023"	149.093171	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-2H+NH4"	16.019271
"31619"	287.122466	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M-2H+Na"	20.974666
"473484"	420.196366	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M-2H+Na"	20.974666
"854324"	154.048566	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-2H+Na"	20.974666
"1628233"	154.048566	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Na-2H"	20.974666
"102576"	150.054963	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M-H+Cl"	33.962126
"543230"	216.591913	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M-H+Cl"	33.962126
"936746"	83.518013	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-H+Cl"	33.962126
"280770"	301.117202	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+Cl"	34.969402
"668818"	434.191102	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+Cl"	34.969402
"1281222"	168.043302	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Cl"	34.969402
"30828"	303.096406	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M-2H+K"	36.948606
"462244"	436.170306	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M-2H+K"	36.948606
"845888"	170.022506	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-2H+K"	36.948606
"1567919"	170.022506	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+K-2H"	36.948606
"953612"	178.072094	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-H+HCOOH"	44.998194
"373653"	311.146001	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+HCOOH-H"	44.998201
"354617"	325.161651	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+Hac-H"	59.013851
"1507467"	192.087751	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Hac-H"	59.013851
"973550"	200.054051	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-H+NaCOOH"	66.980151
"125499"	168.043302	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+2Cl"	69.938804
"563837"	234.580252	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+2Cl"	69.938804
"1035919"	101.506352	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2Cl"	69.938804
"1252216"	211.992785	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Br"	78.918885
"1315757"	214.048772	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Cl+HCOOH"	80.974872
"1333988"	236.030729	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Cl+NaCOOH"	102.956829
"917754"	246.059486	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M-H+CF3COOH"	112.985586
"1292274"	282.036164	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Cl+CF3COOH"	148.962264
"1372623"	98.061224	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H-2H2O"	-35.012676
"1393402"	116.0712	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H-H2O"	-17.0027
"295273"	267.155076	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+H"	1.007276
"688791"	400.228976	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+H"	1.007276
"1361862"	134.081176	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H"	1.007276
"141070"	134.081176	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+2H"	2.014552
"574309"	200.618126	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+2H"	2.014552
"1049672"	67.544226	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2H"	2.014552
"218921"	89.7232093333333	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+3H"	3.021828
"658358"	134.081176	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+3H"	3.021828
"1175633"	45.3652426666667	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+3H"	3.021828
"435987"	284.181623	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+NH4"	18.033823
"800507"	417.255523	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+NH4"	18.033823
"1696719"	151.107723	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+NH4"	18.033823
"343779"	142.5944495	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+H+NH4"	19.041099
"736932"	209.1313995	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+H+NH4"	19.041099
"1490025"	76.0574995	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H+NH4"	19.041099
"405787"	289.137018	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+Na"	22.989218
"764595"	422.210918	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+Na"	22.989218
"1614880"	156.063118	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Na"	22.989218
"326012"	145.072147	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+H+Na"	23.996494
"712965"	211.609097	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+H+Na"	23.996494
"1463871"	78.535197	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H+Na"	23.996494
"1057116"	52.6925566666667	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2H+Na"	25.00377
"1267174"	166.107386	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+CH3OH+H"	33.033486
"382470"	305.110958	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+K"	38.963158
"743463"	438.184858	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+K"	38.963158
"1541871"	172.037058	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+K"	38.963158
"308166"	153.059117	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+H+K"	39.970434
"697306"	219.596067	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+H+K"	39.970434
"1454407"	86.522167	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H+K"	39.970434
"241916"	308.181626	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+ACN+H"	42.033826
"1214625"	175.107726	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+ACN+H"	42.033826
"1197050"	88.057501	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+ACN+2H"	43.041102
"201224"	311.11896	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+2Na-H"	44.97116
"634224"	444.19286	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+2Na-H"	44.97116
"1143198"	178.04506	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2Na-H"	44.97116
"176646"	156.063118	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+2Na"	45.978436
"624229"	222.600068	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+2Na"	45.978436
"1127005"	89.526168	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2Na"	45.978436
"1409802"	60.0198706666667	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H+2Na"	46.985712
"1441916"	180.086646	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H+HCOOH"	47.012746
"232706"	161.09614	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+3H2O+2H"	56.04448
"1520769"	194.13869	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+IsoProp+H"	61.06479
"420456"	164.050088	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+Na+K"	61.952376
"783641"	230.587038	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+Na+K"	61.952376
"1677059"	97.513138	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Na+K"	61.952376
"264305"	330.163568	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+ACN+Na"	64.015768
"1237743"	197.089668	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+ACN+Na"	64.015768
"1722618"	197.113193	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+NH4+HCOOH"	64.039293
"1189793"	67.3471846666667	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+3Na"	68.967654
"1653852"	202.068588	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Na+HCOOH"	68.994688
"164730"	343.06684	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+2K-H"	76.91904
"604289"	476.14074	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+2K-H"	76.91904
"1094270"	209.99294	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2K-H"	76.91904
"146710"	172.037058	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"2M+2K"	77.926316
"586271"	238.574008	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"3M+2K"	77.926316
"1069688"	105.500108	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2K"	77.926316
"1108369"	212.007492	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2K+H"	78.933592
"1341473"	212.095107	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+DMSO+H"	79.021207
"1013282"	216.134276	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2ACN+H"	83.060376
"1533596"	217.127908	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+IsoProp+Na+H"	84.054008
"998952"	108.570776	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+2ACN+2H"	84.067652
"1602665"	218.042528	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+K+HCOOH"	84.968628
"1425676"	248.074038	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+H+CF3COOH"	115.000138
"1161309"	129.084051	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+3ACN+2H"	125.094202
"1711590"	265.100585	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+NH4+CF3COOH"	132.026685
"1642257"	270.05598	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+Na+CF3COOH"	136.98208
"1586659"	286.02992	"C20313"	"N-Hydroxy-L-valine"	"C5H11NO3"	"133.0739"	"M+K+CF3COOH"	152.95602
"816547"	149.0688	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M"	0
"989431"	130.05041	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-H2O-H"	-19.01839
"76618"	98.371924	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M-3H"	-3.021828
"516180"	148.061524	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M-3H"	-3.021828
"881956"	48.682324	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-3H"	-3.021828
"5996"	148.061524	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M-2H"	-2.014552
"445557"	222.595924	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M-2H"	-2.014552
"824452"	73.527124	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-2H"	-2.014552
"84448"	297.130324	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M-H"	-1.007276
"522184"	446.199124	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M-H"	-1.007276
"903998"	148.061524	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-H"	-1.007276
"53998"	314.156871	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M-2H+NH4"	16.019271
"489184"	463.225671	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M-2H+NH4"	16.019271
"868078"	165.088071	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-2H+NH4"	16.019271
"33913"	319.112266	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M-2H+Na"	20.974666
"474567"	468.181066	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M-2H+Na"	20.974666
"852249"	170.043466	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-2H+Na"	20.974666
"1626156"	170.043466	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Na-2H"	20.974666
"108886"	166.049863	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M-H+Cl"	33.962126
"546622"	240.584263	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M-H+Cl"	33.962126
"937950"	91.515463	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-H+Cl"	33.962126
"273225"	333.107002	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+Cl"	34.969402
"667836"	482.175802	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+Cl"	34.969402
"1281330"	184.038202	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Cl"	34.969402
"26075"	335.086206	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M-2H+K"	36.948606
"466734"	484.155006	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M-2H+K"	36.948606
"848066"	186.017406	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-2H+K"	36.948606
"1571118"	186.017406	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+K-2H"	36.948606
"958303"	194.066994	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-H+HCOOH"	44.998194
"376646"	343.135801	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+HCOOH-H"	44.998201
"361376"	357.151451	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+Hac-H"	59.013851
"1508344"	208.082651	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Hac-H"	59.013851
"974152"	216.048951	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-H+NaCOOH"	66.980151
"124878"	184.038202	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+2Cl"	69.938804
"561763"	258.572602	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+2Cl"	69.938804
"1033842"	109.503802	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2Cl"	69.938804
"1246861"	227.987685	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Br"	78.918885
"1315869"	230.043672	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Cl+HCOOH"	80.974872
"1334463"	252.025629	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Cl+NaCOOH"	102.956829
"921146"	262.054386	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M-H+CF3COOH"	112.985586
"1298948"	298.031064	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Cl+CF3COOH"	148.962264
"1382097"	114.056124	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H-2H2O"	-35.012676
"1398451"	132.0661	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H-H2O"	-17.0027
"298545"	299.144876	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+H"	1.007276
"689633"	448.213676	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+H"	1.007276
"1363068"	150.076076	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H"	1.007276
"140335"	150.076076	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+2H"	2.014552
"579892"	224.610476	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+2H"	2.014552
"1052588"	75.541676	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2H"	2.014552
"219396"	100.386476	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+3H"	3.021828
"659770"	150.076076	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+3H"	3.021828
"1176838"	50.696876	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+3H"	3.021828
"437558"	316.171423	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+NH4"	18.033823
"799284"	465.240223	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+NH4"	18.033823
"1694156"	167.102623	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+NH4"	18.033823
"343164"	158.5893495	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+H+NH4"	19.041099
"734127"	233.1237495	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+H+NH4"	19.041099
"1482844"	84.0549495	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H+NH4"	19.041099
"406990"	321.126818	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+Na"	22.989218
"769446"	470.195618	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+Na"	22.989218
"1612804"	172.058018	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Na"	22.989218
"321748"	161.067047	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+H+Na"	23.996494
"716355"	235.601447	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+H+Na"	23.996494
"1467988"	86.532647	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H+Na"	23.996494
"1062326"	58.02419	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2H+Na"	25.00377
"1261818"	182.102286	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+CH3OH+H"	33.033486
"382580"	337.100758	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+K"	38.963158
"744672"	486.169558	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+K"	38.963158
"1551099"	188.031958	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+K"	38.963158
"308275"	169.054017	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+H+K"	39.970434
"701792"	243.588417	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+H+K"	39.970434
"1456709"	94.519617	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H+K"	39.970434
"242028"	340.171426	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+ACN+H"	42.033826
"1221302"	191.102626	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+ACN+H"	42.033826
"1206278"	96.054951	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+ACN+2H"	43.041102
"198055"	343.10876	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+2Na-H"	44.97116
"637614"	492.17756	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+2Na-H"	44.97116
"1140027"	194.03996	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2Na-H"	44.97116
"183317"	172.058018	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+2Na"	45.978436
"626160"	246.592418	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+2Na"	45.978436
"1128574"	97.523618	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2Na"	45.978436
"1409911"	65.351504	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H+2Na"	46.985712
"1442027"	196.081546	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H+HCOOH"	47.012746
"233912"	177.09104	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+3H2O+2H"	56.04448
"1523758"	210.13359	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+IsoProp+H"	61.06479
"419472"	180.044988	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+Na+K"	61.952376
"783748"	254.579388	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+Na+K"	61.952376
"1676798"	105.510588	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Na+K"	61.952376
"265875"	362.153368	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+ACN+Na"	64.015768
"1236033"	213.084568	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+ACN+Na"	64.015768
"1723821"	213.108093	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+NH4+HCOOH"	64.039293
"1185899"	72.678818	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+3Na"	68.967654
"1659072"	218.063488	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Na+HCOOH"	68.994688
"167027"	375.05664	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+2K-H"	76.91904
"607680"	524.12544	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+2K-H"	76.91904
"1092191"	225.98784	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2K-H"	76.91904
"146818"	188.031958	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"2M+2K"	77.926316
"589665"	262.566358	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"3M+2K"	77.926316
"1080739"	113.497558	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2K"	77.926316
"1109574"	228.002392	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2K+H"	78.933592
"1347783"	228.090007	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+DMSO+H"	79.021207
"1018135"	232.129176	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2ACN+H"	83.060376
"1535895"	233.122808	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+IsoProp+Na+H"	84.054008
"999062"	116.568226	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+2ACN+2H"	84.067652
"1592471"	234.037428	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+K+HCOOH"	84.968628
"1422505"	264.068938	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+H+CF3COOH"	115.000138
"1153886"	137.081501	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+3ACN+2H"	125.094202
"1707812"	281.095485	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+NH4+CF3COOH"	132.026685
"1639089"	286.05088	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+Na+CF3COOH"	136.98208
"1586769"	302.02482	"C20314"	"NN-Dihydroxy-L-valine"	"C5H11NO4"	"149.0688"	"M+K+CF3COOH"	152.95602
"810574"	87.0684	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M"	0
"983013"	68.05001	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-H2O-H"	-19.01839
"76726"	57.038324	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M-3H"	-3.021828
"515197"	86.061124	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M-3H"	-3.021828
"891903"	28.015524	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-3H"	-3.021828
"10478"	86.061124	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M-2H"	-2.014552
"450039"	129.595324	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M-2H"	-2.014552
"827842"	42.526924	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-2H"	-2.014552
"85647"	173.129524	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M-H"	-1.007276
"522656"	260.197924	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M-H"	-1.007276
"901922"	86.061124	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-H"	-1.007276
"52286"	190.156071	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M-2H+NH4"	16.019271
"490387"	277.224471	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M-2H+NH4"	16.019271
"870375"	103.087671	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-2H+NH4"	16.019271
"32686"	195.111466	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M-2H+Na"	20.974666
"473219"	282.179866	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M-2H+Na"	20.974666
"852359"	108.043066	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-2H+Na"	20.974666
"1626266"	108.043066	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Na-2H"	20.974666
"104985"	104.049463	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M-H+Cl"	33.962126
"546732"	147.583663	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M-H+Cl"	33.962126
"936967"	60.515263	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-H+Cl"	33.962126
"270055"	209.106202	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+Cl"	34.969402
"667946"	296.174602	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+Cl"	34.969402
"1279254"	122.037802	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Cl"	34.969402
"25092"	211.085406	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M-2H+K"	36.948606
"467937"	298.153806	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M-2H+K"	36.948606
"847569"	124.017006	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-2H+K"	36.948606
"1570829"	124.017006	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+K-2H"	36.948606
"958225"	132.066594	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-H+HCOOH"	44.998194
"376513"	219.135001	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+HCOOH-H"	44.998201
"361334"	233.150651	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+Hac-H"	59.013851
"1508401"	146.082251	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Hac-H"	59.013851
"974161"	154.048551	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-H+NaCOOH"	66.980151
"125696"	122.037802	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+2Cl"	69.938804
"561873"	165.572002	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+2Cl"	69.938804
"1033952"	78.503602	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2Cl"	69.938804
"1246971"	165.987285	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Br"	78.918885
"1314886"	168.043272	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Cl+HCOOH"	80.974872
"1332387"	190.025229	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Cl+NaCOOH"	102.956829
"920164"	200.053986	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M-H+CF3COOH"	112.985586
"1295778"	236.030664	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Cl+CF3COOH"	148.962264
"1382599"	52.055724	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H-2H2O"	-35.012676
"1394717"	70.0657	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H-H2O"	-17.0027
"298464"	175.144076	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+H"	1.007276
"690479"	262.212476	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+H"	1.007276
"1360991"	88.075676	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H"	1.007276
"139351"	88.075676	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+2H"	2.014552
"579638"	131.609876	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+2H"	2.014552
"1050265"	44.541476	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2H"	2.014552
"219590"	59.052876	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+3H"	3.021828
"658098"	88.075676	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+3H"	3.021828
"1177191"	30.030076	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+3H"	3.021828
"436573"	192.170623	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+NH4"	18.033823
"799394"	279.239023	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+NH4"	18.033823
"1695360"	105.102223	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+NH4"	18.033823
"344368"	96.5889495	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+H+NH4"	19.041099
"737153"	140.1231495	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+H+NH4"	19.041099
"1489517"	53.0547495	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H+NH4"	19.041099
"407463"	197.126018	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+Na"	22.989218
"769069"	284.194418	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+Na"	22.989218
"1610727"	110.057618	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Na"	22.989218
"320764"	99.066647	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+H+Na"	23.996494
"719744"	142.600847	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+H+Na"	23.996494
"1471378"	55.532447	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H+Na"	23.996494
"1065716"	37.35739	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2H+Na"	25.00377
"1267395"	120.101886	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+CH3OH+H"	33.033486
"382690"	213.099958	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+K"	38.963158
"741137"	300.168358	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+K"	38.963158
"1550116"	126.031558	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+K"	38.963158
"302918"	107.053617	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+H+K"	39.970434
"700809"	150.587817	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+H+K"	39.970434
"1457912"	63.519417	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H+K"	39.970434
"240314"	216.170626	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+ACN+H"	42.033826
"1223598"	129.102226	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+ACN+H"	42.033826
"1208575"	65.054751	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+ACN+2H"	43.041102
"198165"	219.10796	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+2Na-H"	44.97116
"637724"	306.17636	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+2Na-H"	44.97116
"1137950"	132.03956	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2Na-H"	44.97116
"183427"	110.057618	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+2Na"	45.978436
"627001"	153.591818	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+2Na"	45.978436
"1130629"	66.523418	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2Na"	45.978436
"1412208"	44.684704	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H+2Na"	46.985712
"1442137"	134.081146	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H+HCOOH"	47.012746
"234019"	115.09064	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+3H2O+2H"	56.04448
"1523052"	148.13319	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+IsoProp+H"	61.06479
"420675"	118.044588	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+Na+K"	61.952376
"784830"	161.578788	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+Na+K"	61.952376
"1679095"	74.510388	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Na+K"	61.952376
"266672"	238.152568	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+ACN+Na"	64.015768
"1237236"	151.084168	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+ACN+Na"	64.015768
"1723932"	151.107693	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+NH4+HCOOH"	64.039293
"1187103"	52.012018	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+3Na"	68.967654
"1659182"	156.063088	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Na+HCOOH"	68.994688
"164950"	251.05584	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+2K-H"	76.91904
"608883"	338.12424	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+2K-H"	76.91904
"1092301"	163.98744	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2K-H"	76.91904
"146928"	126.031558	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"2M+2K"	77.926316
"594149"	169.565758	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"3M+2K"	77.926316
"1083161"	82.497358	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2K"	77.926316
"1112965"	166.001992	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2K+H"	78.933592
"1351056"	166.089607	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+DMSO+H"	79.021207
"1020433"	170.128776	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2ACN+H"	83.060376
"1539762"	171.122408	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+IsoProp+Na+H"	84.054008
"1001359"	85.568026	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+2ACN+2H"	84.067652
"1594768"	172.037028	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+K+HCOOH"	84.968628
"1422615"	202.068538	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+H+CF3COOH"	115.000138
"1153996"	106.081301	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+3ACN+2H"	125.094202
"1707922"	219.095085	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+NH4+CF3COOH"	132.026685
"1639199"	224.05048	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+Na+CF3COOH"	136.98208
"1586879"	240.02442	"C20315"	"(Z)-2-Methylpropanal oxime"	"C4H9NO"	"87.0684"	"M+K+CF3COOH"	152.95602
"810684"	183.0684	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M"	0
"980936"	164.05001	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-H2O-H"	-19.01839
"75743"	121.038324	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M-3H"	-3.021828
"516037"	182.061124	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M-3H"	-3.021828
"892013"	60.015524	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-3H"	-3.021828
"7308"	182.061124	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M-2H"	-2.014552
"447963"	273.595324	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M-2H"	-2.014552
"824673"	90.526924	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-2H"	-2.014552
"82477"	365.129524	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M-H"	-1.007276
"523129"	548.197924	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M-H"	-1.007276
"896069"	182.061124	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-H"	-1.007276
"50935"	382.156071	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M-2H+NH4"	16.019271
"488674"	565.224471	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M-2H+NH4"	16.019271
"866111"	199.087671	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-2H+NH4"	16.019271
"37294"	387.111466	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M-2H+Na"	20.974666
"474666"	570.179866	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M-2H+Na"	20.974666
"851375"	204.043066	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-2H+Na"	20.974666
"1623095"	204.043066	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Na-2H"	20.974666
"106188"	200.049463	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M-H+Cl"	33.962126
"544655"	291.583663	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M-H+Cl"	33.962126
"933797"	108.515263	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-H+Cl"	33.962126
"274540"	401.106202	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+Cl"	34.969402
"668056"	584.174602	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+Cl"	34.969402
"1281553"	218.037802	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Cl"	34.969402
"24111"	403.085406	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M-2H+K"	36.948606
"464767"	586.153806	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M-2H+K"	36.948606
"847435"	220.017006	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-2H+K"	36.948606
"1571293"	220.017006	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+K-2H"	36.948606
"958485"	228.066594	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-H+HCOOH"	44.998194
"375810"	411.135001	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+HCOOH-H"	44.998201
"361244"	425.150651	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+Hac-H"	59.013851
"1508442"	242.082251	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Hac-H"	59.013851
"973810"	250.048551	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-H+NaCOOH"	66.980151
"123154"	218.037802	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+2Cl"	69.938804
"564171"	309.572002	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+2Cl"	69.938804
"1034062"	126.503602	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2Cl"	69.938804
"1247081"	261.987285	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Br"	78.918885
"1319369"	264.043272	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Cl+HCOOH"	80.974872
"1333590"	286.025229	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Cl+NaCOOH"	102.956829
"922461"	296.053986	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M-H+CF3COOH"	112.985586
"1295888"	332.030664	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Cl+CF3COOH"	148.962264
"1377330"	148.055724	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H-2H2O"	-35.012676
"1393731"	166.0657	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H-H2O"	-17.0027
"293417"	367.144076	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+H"	1.007276
"690224"	550.212476	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+H"	1.007276
"1363288"	184.075676	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H"	1.007276
"139096"	184.075676	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+2H"	2.014552
"577924"	275.609876	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+2H"	2.014552
"1051472"	92.541476	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2H"	2.014552
"219809"	123.052876	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+3H"	3.021828
"659664"	184.075676	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+3H"	3.021828
"1176329"	62.030076	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+3H"	3.021828
"436683"	384.170623	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+NH4"	18.033823
"798043"	567.239023	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+NH4"	18.033823
"1693648"	201.102223	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+NH4"	18.033823
"343750"	192.5889495	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+H+NH4"	19.041099
"735442"	284.1231495	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+H+NH4"	19.041099
"1487439"	101.0547495	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H+NH4"	19.041099
"402834"	389.126018	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+Na"	22.989218
"766383"	572.194418	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+Na"	22.989218
"1609744"	206.057618	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Na"	22.989218
"317594"	195.066647	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+H+Na"	23.996494
"716574"	286.600847	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+H+Na"	23.996494
"1468208"	103.532447	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H+Na"	23.996494
"1060359"	69.35739	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2H+Na"	25.00377
"1265318"	216.101886	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+CH3OH+H"	33.033486
"382800"	405.099958	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+K"	38.963158
"745986"	588.168358	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+K"	38.963158
"1550226"	222.031558	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+K"	38.963158
"305215"	203.053617	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+H+K"	39.970434
"695452"	294.587817	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+H+K"	39.970434
"1459114"	111.519417	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H+K"	39.970434
"240425"	408.170626	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+ACN+H"	42.033826
"1223708"	225.102226	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+ACN+H"	42.033826
"1208685"	113.054751	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+ACN+2H"	43.041102
"201555"	411.10796	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+2Na-H"	44.97116
"637834"	594.17636	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+2Na-H"	44.97116
"1138060"	228.03956	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2Na-H"	44.97116
"183537"	206.057618	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+2Na"	45.978436
"628205"	297.591818	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+2Na"	45.978436
"1127701"	114.523418	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2Na"	45.978436
"1411225"	76.684704	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H+2Na"	46.985712
"1440061"	230.081146	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H+HCOOH"	47.012746
"234130"	211.09064	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+3H2O+2H"	56.04448
"1521097"	244.13319	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+IsoProp+H"	61.06479
"420785"	214.044588	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+Na+K"	61.952376
"783969"	305.578788	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+Na+K"	61.952376
"1679206"	122.510388	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Na+K"	61.952376
"266093"	430.152568	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+ACN+Na"	64.015768
"1239167"	247.084168	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+ACN+Na"	64.015768
"1724042"	247.107693	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+NH4+HCOOH"	64.039293
"1190858"	84.012018	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+3Na"	68.967654
"1661114"	252.063088	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Na+HCOOH"	68.994688
"163967"	443.05584	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+2K-H"	76.91904
"608994"	626.12424	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+2K-H"	76.91904
"1092411"	259.98744	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2K-H"	76.91904
"147038"	222.031558	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"2M+2K"	77.926316
"594259"	313.565758	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"3M+2K"	77.926316
"1084008"	130.497358	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2K"	77.926316
"1115464"	262.001992	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2K+H"	78.933592
"1350923"	262.089607	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+DMSO+H"	79.021207
"1021033"	266.128776	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2ACN+H"	83.060376
"1539684"	267.122408	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+IsoProp+Na+H"	84.054008
"1001469"	133.568026	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+2ACN+2H"	84.067652
"1594878"	268.037028	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+K+HCOOH"	84.968628
"1421632"	298.068538	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+H+CF3COOH"	115.000138
"1154106"	154.081301	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+3ACN+2H"	125.094202
"1706939"	315.095085	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+NH4+CF3COOH"	132.026685
"1639309"	320.05048	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+Na+CF3COOH"	136.98208
"1586989"	336.02442	"C20316"	"4-Nitrosobiphenyl"	"C12H9NO"	"183.0684"	"M+K+CF3COOH"	152.95602
"810794"	214.9575	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M"	0
"981046"	195.93911	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-H2O-H"	-19.01839
"75853"	142.297724	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M-3H"	-3.021828
"515416"	213.950224	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M-3H"	-3.021828
"888843"	70.645224	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-3H"	-3.021828
"7418"	213.950224	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M-2H"	-2.014552
"448073"	321.428974	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M-2H"	-2.014552
"823689"	106.471474	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-2H"	-2.014552
"83679"	428.907724	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M-H"	-1.007276
"522509"	643.865224	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M-H"	-1.007276
"897516"	213.950224	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-H"	-1.007276
"50315"	445.934271	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M-2H+NH4"	16.019271
"489876"	660.891771	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M-2H+NH4"	16.019271
"866948"	230.976771	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-2H+NH4"	16.019271
"35580"	450.889666	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M-2H+Na"	20.974666
"475504"	665.847166	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M-2H+Na"	20.974666
"852577"	235.932166	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-2H+Na"	20.974666
"1624298"	235.932166	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Na-2H"	20.974666
"103018"	231.938563	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M-H+Cl"	33.962126
"543671"	339.417313	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M-H+Cl"	33.962126
"929163"	124.459813	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-H+Cl"	33.962126
"268813"	464.884402	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+Cl"	34.969402
"661964"	679.841902	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+Cl"	34.969402
"1274366"	249.926902	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Cl"	34.969402
"19842"	466.863606	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M-2H+K"	36.948606
"458311"	681.821106	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M-2H+K"	36.948606
"835383"	251.906106	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-2H+K"	36.948606
"1563980"	251.906106	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+K-2H"	36.948606
"948583"	259.955694	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-H+HCOOH"	44.998194
"366797"	474.913201	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+HCOOH-H"	44.998201
"352867"	488.928851	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+Hac-H"	59.013851
"1506809"	273.971351	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Hac-H"	59.013851
"968151"	281.937651	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-H+NaCOOH"	66.980151
"123263"	249.926902	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+2Cl"	69.938804
"562822"	357.405652	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+2Cl"	69.938804
"1034171"	142.448152	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2Cl"	69.938804
"1255209"	293.876385	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Br"	78.918885
"1317291"	295.932372	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Cl+HCOOH"	80.974872
"1329324"	317.914329	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Cl+NaCOOH"	102.956829
"914914"	327.943086	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M-H+CF3COOH"	112.985586
"1289432"	363.919764	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Cl+CF3COOH"	148.962264
"1371970"	179.944824	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H-2H2O"	-35.012676
"1383147"	197.9548	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H-H2O"	-17.0027
"285873"	430.922276	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+H"	1.007276
"688866"	645.879776	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+H"	1.007276
"1366718"	215.964776	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H"	1.007276
"140415"	215.964776	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+2H"	2.014552
"580584"	323.443526	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+2H"	2.014552
"1049747"	108.486026	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2H"	2.014552
"208171"	144.312276	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+3H"	3.021828
"657950"	215.964776	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+3H"	3.021828
"1177775"	72.659776	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+3H"	3.021828
"436792"	447.948823	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+NH4"	18.033823
"797787"	662.906323	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+NH4"	18.033823
"1692661"	232.991323	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+NH4"	18.033823
"341303"	224.4780495	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+H+NH4"	19.041099
"734818"	331.9567995	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+H+NH4"	19.041099
"1488637"	116.9992995	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H+NH4"	19.041099
"397479"	452.904218	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+Na"	22.989218
"761754"	667.861718	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+Na"	22.989218
"1614225"	237.946718	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Na"	22.989218
"324265"	226.955747	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+H+Na"	23.996494
"718508"	334.434497	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+H+Na"	23.996494
"1467225"	119.476997	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H+Na"	23.996494
"1061564"	79.98709	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2H+Na"	25.00377
"1265425"	247.990986	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+CH3OH+H"	33.033486
"383999"	468.878158	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+K"	38.963158
"739893"	683.835658	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+K"	38.963158
"1542680"	253.920658	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+K"	38.963158
"304234"	234.942717	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+H+K"	39.970434
"695558"	342.421467	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+H+K"	39.970434
"1449743"	127.463967	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H+K"	39.970434
"236155"	471.948826	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+ACN+H"	42.033826
"1212874"	256.991326	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+ACN+H"	42.033826
"1197125"	128.999301	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+ACN+2H"	43.041102
"195103"	474.88616	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+2Na-H"	44.97116
"633204"	689.84366	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+2Na-H"	44.97116
"1138533"	259.92866	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2Na-H"	44.97116
"177813"	237.946718	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+2Na"	45.978436
"623577"	345.425468	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+2Na"	45.978436
"1128900"	130.467968	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2Na"	45.978436
"1409875"	87.314404	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H+2Na"	46.985712
"1440167"	261.970246	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H+HCOOH"	47.012746
"228771"	242.97974	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+3H2O+2H"	56.04448
"1519386"	276.02229	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+IsoProp+H"	61.06479
"416521"	245.933688	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+Na+K"	61.952376
"776423"	353.412438	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+Na+K"	61.952376
"1671661"	138.454938	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Na+K"	61.952376
"255994"	493.930768	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+ACN+Na"	64.015768
"1233077"	278.973268	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+ACN+Na"	64.015768
"1718683"	278.996793	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+NH4+HCOOH"	64.039293
"1185130"	94.641718	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+3Na"	68.967654
"1653199"	283.952188	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Na+HCOOH"	68.994688
"159087"	506.83404	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+2K-H"	76.91904
"601447"	721.79154	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+2K-H"	76.91904
"1085107"	291.87654	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2K-H"	76.91904
"142410"	253.920658	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"2M+2K"	77.926316
"581850"	361.399408	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"3M+2K"	77.926316
"1072318"	146.441908	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2K"	77.926316
"1105528"	293.891092	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2K+H"	78.933592
"1338631"	293.978707	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+DMSO+H"	79.021207
"1006552"	298.017876	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2ACN+H"	83.060376
"1531849"	299.011508	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+IsoProp+Na+H"	84.054008
"1003401"	149.512576	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+2ACN+2H"	84.067652
"1596081"	299.926128	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+K+HCOOH"	84.968628
"1426114"	329.957638	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+H+CF3COOH"	115.000138
"1157495"	170.025851	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+3ACN+2H"	125.094202
"1701579"	346.984185	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+NH4+CF3COOH"	132.026685
"1636137"	351.93958	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+Na+CF3COOH"	136.98208
"1577255"	367.91352	"C20317"	"S-(12-Dichlorovinyl)-L-cysteine;DCVC"	"C5H7Cl2NO2S"	"214.9575"	"M+K+CF3COOH"	152.95602
"810904"	127.9254	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M"	0
"981156"	108.90701	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-H2O-H"	-19.01839
"77056"	84.276324	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M-3H"	-3.021828
"514433"	126.918124	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M-3H"	-3.021828
"890047"	41.634524	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-3H"	-3.021828
"8622"	126.918124	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M-2H"	-2.014552
"448184"	190.880824	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M-2H"	-2.014552
"827080"	62.955424	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-2H"	-2.014552
"85976"	254.843524	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M-H"	-1.007276
"524441"	382.768924	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M-H"	-1.007276
"902244"	126.918124	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-H"	-1.007276
"50057"	271.870071	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M-2H+NH4"	16.019271
"491444"	399.795471	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M-2H+NH4"	16.019271
"867059"	143.944671	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-2H+NH4"	16.019271
"39702"	276.825466	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M-2H+Na"	20.974666
"474521"	404.750866	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M-2H+Na"	20.974666
"851958"	148.900066	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-2H+Na"	20.974666
"1622585"	148.900066	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Na-2H"	20.974666
"100941"	144.906463	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M-H+Cl"	33.962126
"538677"	208.869163	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M-H+Cl"	33.962126
"929639"	80.943763	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-H+Cl"	33.962126
"269652"	290.820202	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+Cl"	34.969402
"664261"	418.745602	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+Cl"	34.969402
"1275205"	162.894802	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Cl"	34.969402
"18124"	292.799406	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M-2H+K"	36.948606
"458784"	420.724806	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M-2H+K"	36.948606
"835487"	164.874006	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-2H+K"	36.948606
"1568466"	164.874006	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+K-2H"	36.948606
"956715"	172.923594	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-H+HCOOH"	44.998194
"374200"	300.849001	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+HCOOH-H"	44.998201
"354074"	314.864651	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+Hac-H"	59.013851
"1506191"	186.939251	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Hac-H"	59.013851
"968261"	194.905551	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-H+NaCOOH"	66.980151
"120456"	162.894802	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+2Cl"	69.938804
"557829"	226.857502	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+2Cl"	69.938804
"1028815"	98.932102	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2Cl"	69.938804
"1254956"	206.844285	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Br"	78.918885
"1318130"	208.900272	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Cl+HCOOH"	80.974872
"1329434"	230.882229	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Cl+NaCOOH"	102.956829
"912958"	240.910986	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M-H+CF3COOH"	112.985586
"1291731"	276.887664	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Cl+CF3COOH"	148.962264
"1369893"	92.912724	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H-2H2O"	-35.012676
"1392858"	110.9227	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H-H2O"	-17.0027
"289263"	256.858076	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+H"	1.007276
"686060"	384.783476	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+H"	1.007276
"1363506"	128.932676	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H"	1.007276
"141096"	128.932676	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+2H"	2.014552
"579603"	192.895376	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+2H"	2.014552
"1046941"	64.969976	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2H"	2.014552
"208281"	86.290876	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+3H"	3.021828
"658909"	128.932676	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+3H"	3.021828
"1176909"	43.649076	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+3H"	3.021828
"437996"	273.884623	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+NH4"	18.033823
"798992"	401.810023	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+NH4"	18.033823
"1692041"	145.959223	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+NH4"	18.033823
"342508"	137.4459495	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+H+NH4"	19.041099
"734928"	201.4086495	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+H+NH4"	19.041099
"1487654"	73.4832495	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H+NH4"	19.041099
"396496"	278.840018	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+Na"	22.989218
"758584"	406.765418	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+Na"	22.989218
"1611055"	150.914618	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Na"	22.989218
"322186"	139.923647	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+H+Na"	23.996494
"714609"	203.886347	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+H+Na"	23.996494
"1465149"	75.960947	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H+Na"	23.996494
"1060580"	50.97639	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2H+Na"	25.00377
"1263349"	160.958886	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+CH3OH+H"	33.033486
"380829"	294.813958	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+K"	38.963158
"740124"	422.739358	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+K"	38.963158
"1540476"	166.888558	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+K"	38.963158
"304340"	147.910617	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+H+K"	39.970434
"696033"	211.873317	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+H+K"	39.970434
"1447666"	83.947917	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H+K"	39.970434
"238455"	297.884626	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+ACN+H"	42.033826
"1211648"	169.959226	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+ACN+H"	42.033826
"1195285"	85.483251	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+ACN+2H"	43.041102
"197400"	300.82196	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+2Na-H"	44.97116
"632221"	428.74736	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+2Na-H"	44.97116
"1137550"	172.89656	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2Na-H"	44.97116
"176830"	150.914618	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+2Na"	45.978436
"624051"	214.877318	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+2Na"	45.978436
"1126824"	86.951918	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2Na"	45.978436
"1408891"	58.303704	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H+2Na"	46.985712
"1440279"	174.938146	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H+HCOOH"	47.012746
"226696"	155.94764	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+3H2O+2H"	56.04448
"1518403"	188.99019	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+IsoProp+H"	61.06479
"416996"	158.901588	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+Na+K"	61.952376
"779813"	222.864288	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+Na+K"	61.952376
"1671771"	94.938888	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Na+K"	61.952376
"257560"	319.866568	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+ACN+Na"	64.015768
"1228446"	191.941168	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+ACN+Na"	64.015768
"1715510"	191.964693	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+NH4+HCOOH"	64.039293
"1179770"	65.631018	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+3Na"	68.967654
"1650508"	196.920088	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Na+HCOOH"	68.994688
"157737"	332.76984	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+2K-H"	76.91904
"601557"	460.69524	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+2K-H"	76.91904
"1088255"	204.84444	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2K-H"	76.91904
"142398"	166.888558	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"2M+2K"	77.926316
"582567"	230.851258	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"3M+2K"	77.926316
"1071335"	102.925858	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2K"	77.926316
"1105638"	206.858992	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2K+H"	78.933592
"1338741"	206.946607	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+DMSO+H"	79.021207
"1007634"	210.985776	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2ACN+H"	83.060376
"1531959"	211.979408	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+IsoProp+Na+H"	84.054008
"997315"	105.996526	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+2ACN+2H"	84.067652
"1591817"	212.894028	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+K+HCOOH"	84.968628
"1422943"	242.925538	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+H+CF3COOH"	115.000138
"1154325"	126.509801	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+3ACN+2H"	125.094202
"1701689"	259.952085	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+NH4+CF3COOH"	132.026685
"1636247"	264.90748	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+Na+CF3COOH"	136.98208
"1577365"	280.88142	"C20318"	"S-(12-Dichlorovinyl)thiol;DCVT"	"C2H2Cl2S"	"127.9254"	"M+K+CF3COOH"	152.95602
"811014"	184.0762	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M"	0
"982359"	165.05781	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-H2O-H"	-19.01839
"73886"	121.710190666667	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M-3H"	-3.021828
"515635"	183.068924	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M-3H"	-3.021828
"890157"	60.3514573333333	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-3H"	-3.021828
"7636"	183.068924	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M-2H"	-2.014552
"448291"	275.107024	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M-2H"	-2.014552
"826094"	91.030824	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-2H"	-2.014552
"82807"	367.145124	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M-H"	-1.007276
"522364"	551.221324	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M-H"	-1.007276
"902354"	183.068924	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-H"	-1.007276
"50168"	384.171671	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M-2H+NH4"	16.019271
"489852"	568.247871	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M-2H+NH4"	16.019271
"866558"	200.095471	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-2H+NH4"	16.019271
"39812"	389.127066	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M-2H+Na"	20.974666
"475724"	573.203266	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M-2H+Na"	20.974666
"852069"	205.050866	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-2H+Na"	20.974666
"1621966"	205.050866	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Na-2H"	20.974666
"99958"	201.057263	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M-H+Cl"	33.962126
"537694"	293.095363	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M-H+Cl"	33.962126
"929750"	109.019163	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-H+Cl"	33.962126
"270127"	403.121802	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+Cl"	34.969402
"663643"	587.198002	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+Cl"	34.969402
"1275679"	219.045602	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Cl"	34.969402
"17140"	405.101006	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M-2H+K"	36.948606
"458529"	589.177206	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M-2H+K"	36.948606
"834626"	221.024806	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-2H+K"	36.948606
"1560922"	221.024806	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+K-2H"	36.948606
"955365"	229.074394	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-H+HCOOH"	44.998194
"371393"	413.150601	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+HCOOH-H"	44.998201
"356370"	427.166251	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+Hac-H"	59.013851
"1507761"	243.090051	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Hac-H"	59.013851
"968371"	251.056351	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-H+NaCOOH"	66.980151
"120566"	219.045602	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+2Cl"	69.938804
"552836"	311.083702	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+2Cl"	69.938804
"1025644"	127.007502	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2Cl"	69.938804
"1253969"	262.995085	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Br"	78.918885
"1319334"	265.051072	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Cl+HCOOH"	80.974872
"1326264"	287.033029	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Cl+NaCOOH"	102.956829
"915133"	297.061786	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M-H+CF3COOH"	112.985586
"1290018"	333.038464	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Cl+CF3COOH"	148.962264
"1368301"	149.063524	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H-2H2O"	-35.012676
"1388594"	167.0735	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H-H2O"	-17.0027
"289373"	369.159676	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+H"	1.007276
"686170"	553.235876	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+H"	1.007276
"1365073"	185.083476	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H"	1.007276
"134316"	185.083476	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+2H"	2.014552
"579347"	277.121576	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+2H"	2.014552
"1047051"	93.045376	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2H"	2.014552
"208391"	123.724742666667	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+3H"	3.021828
"658534"	185.083476	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+3H"	3.021828
"1177870"	62.3660093333333	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+3H"	3.021828
"439198"	386.186223	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+NH4"	18.033823
"796914"	570.262423	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+NH4"	18.033823
"1694338"	202.110023	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+NH4"	18.033823
"342619"	193.5967495	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+H+NH4"	19.041099
"735038"	285.6348495	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+H+NH4"	19.041099
"1488857"	101.5586495	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H+NH4"	19.041099
"396606"	391.141618	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+Na"	22.989218
"758694"	575.217818	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+Na"	22.989218
"1611165"	207.065418	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Na"	22.989218
"322296"	196.074447	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+H+Na"	23.996494
"715812"	288.112547	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+H+Na"	23.996494
"1464166"	104.036347	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H+Na"	23.996494
"1059597"	69.6933233333333	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2H+Na"	25.00377
"1263459"	217.109686	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+CH3OH+H"	33.033486
"379846"	407.115558	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+K"	38.963158
"740477"	591.191758	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+K"	38.963158
"1541441"	223.039358	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+K"	38.963158
"304086"	204.061417	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+H+K"	39.970434
"695415"	296.099517	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+H+K"	39.970434
"1448869"	112.023317	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H+K"	39.970434
"238564"	410.186226	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+ACN+H"	42.033826
"1213459"	226.110026	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+ACN+H"	42.033826
"1196978"	113.558651	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+ACN+2H"	43.041102
"195323"	413.12356	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+2Na-H"	44.97116
"635246"	597.19976	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+2Na-H"	44.97116
"1139117"	229.04736	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2Na-H"	44.97116
"178033"	207.065418	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+2Na"	45.978436
"624524"	299.103518	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+2Na"	45.978436
"1125840"	115.027318	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2Na"	45.978436
"1410458"	77.0206373333333	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H+2Na"	46.985712
"1442211"	231.088946	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H+HCOOH"	47.012746
"228991"	212.09844	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+3H2O+2H"	56.04448
"1520699"	245.14099	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+IsoProp+H"	61.06479
"420019"	215.052388	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+Na+K"	61.952376
"779923"	307.090488	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+Na+K"	61.952376
"1674431"	123.014288	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Na+K"	61.952376
"258399"	432.168168	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+ACN+Na"	64.015768
"1230743"	248.091968	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+ACN+Na"	64.015768
"1717077"	248.115493	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+NH4+HCOOH"	64.039293
"1181337"	84.3479513333333	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+3Na"	68.967654
"1650167"	253.070888	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Na+HCOOH"	68.994688
"158451"	445.07144	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+2K-H"	76.91904
"599843"	629.14764	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+2K-H"	76.91904
"1091646"	260.99524	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2K-H"	76.91904
"142265"	223.039358	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"2M+2K"	77.926316
"584015"	315.077458	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"3M+2K"	77.926316
"1073631"	131.001258	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2K"	77.926316
"1107934"	263.009792	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2K+H"	78.933592
"1339944"	263.097407	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+DMSO+H"	79.021207
"1007380"	267.136576	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2ACN+H"	83.060376
"1529882"	268.130208	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+IsoProp+Na+H"	84.054008
"996331"	134.071926	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+2ACN+2H"	84.067652
"1595206"	269.044828	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+K+HCOOH"	84.968628
"1420865"	299.076338	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+H+CF3COOH"	115.000138
"1151155"	154.585201	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+3ACN+2H"	125.094202
"1698883"	316.102885	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+NH4+CF3COOH"	132.026685
"1634530"	321.05828	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+Na+CF3COOH"	136.98208
"1577475"	337.03222	"C20319"	"Hydronitroxide radical"	"C12H10NO"	"184.0762"	"M+K+CF3COOH"	152.95602
"811124"	166.0994	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M"	0
"982469"	147.08101	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H2O-H"	-19.01839
"73996"	109.725657333333	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-3H"	-3.021828
"514653"	165.092124	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-3H"	-3.021828
"890267"	54.3591906666667	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-3H"	-3.021828
"8840"	165.092124	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H"	-2.014552
"448401"	248.141824	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H"	-2.014552
"826204"	82.042424	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H"	-2.014552
"85104"	331.191524	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-H"	-1.007276
"524661"	497.290924	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-H"	-1.007276
"901370"	165.092124	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H"	-1.007276
"53557"	348.218071	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H+NH4"	16.019271
"489231"	514.317471	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H+NH4"	16.019271
"867641"	182.118671	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H+NH4"	16.019271
"39922"	353.173466	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H+Na"	20.974666
"475470"	519.272866	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H+Na"	20.974666
"852908"	187.074066	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H+Na"	20.974666
"1623169"	187.074066	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na-2H"	20.974666
"105534"	183.080463	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-H+Cl"	33.962126
"541813"	266.130163	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-H+Cl"	33.962126
"932047"	100.030763	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+Cl"	33.962126
"271698"	367.168202	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Cl"	34.969402
"661561"	533.267602	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+Cl"	34.969402
"1274454"	201.068802	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl"	34.969402
"17615"	369.147406	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M-2H+K"	36.948606
"457179"	535.246806	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M-2H+K"	36.948606
"833887"	203.048006	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-2H+K"	36.948606
"1562125"	203.048006	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K-2H"	36.948606
"955475"	211.097594	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+HCOOH"	44.998194
"368223"	377.197001	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+HCOOH-H"	44.998201
"356480"	391.212651	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Hac-H"	59.013851
"1508243"	225.113251	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Hac-H"	59.013851
"972857"	233.079551	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+NaCOOH"	66.980151
"119580"	201.068802	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2Cl"	69.938804
"563515"	284.118502	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2Cl"	69.938804
"1030128"	118.019102	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2Cl"	69.938804
"1247519"	245.018285	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Br"	78.918885
"1313246"	247.074272	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl+HCOOH"	80.974872
"1328560"	269.056229	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl+NaCOOH"	102.956829
"918523"	279.084986	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M-H+CF3COOH"	112.985586
"1290127"	315.061664	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Cl+CF3COOH"	148.962264
"1367559"	131.086724	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H-2H2O"	-35.012676
"1390890"	149.0967	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H-H2O"	-17.0027
"290576"	333.206076	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H"	1.007276
"687009"	499.305476	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H"	1.007276
"1363363"	167.106676	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H"	1.007276
"137343"	167.106676	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2H"	2.014552
"571800"	250.156376	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2H"	2.014552
"1047161"	84.056976	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2H"	2.014552
"208501"	111.740209333333	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+3H"	3.021828
"659006"	167.106676	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+3H"	3.021828
"1174942"	56.3737426666667	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+3H"	3.021828
"438945"	350.232623	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+NH4"	18.033823
"795930"	516.332023	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+NH4"	18.033823
"1695905"	184.133223	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+NH4"	18.033823
"340541"	175.6199495	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H+NH4"	19.041099
"734054"	258.6696495	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H+NH4"	19.041099
"1487874"	92.5702495	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+NH4"	19.041099
"393919"	355.188018	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Na"	22.989218
"755035"	521.287418	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+Na"	22.989218
"1609088"	189.088618	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na"	22.989218
"325686"	178.097647	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H+Na"	23.996494
"715922"	261.147347	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H+Na"	23.996494
"1467556"	95.047947	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+Na"	23.996494
"1059707"	63.7010566666667	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2H+Na"	25.00377
"1263569"	199.132886	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+CH3OH+H"	33.033486
"383236"	371.161958	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+K"	38.963158
"740587"	537.261358	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+K"	38.963158
"1545563"	205.062558	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K"	38.963158
"305655"	186.084617	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+H+K"	39.970434
"695160"	269.134317	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+H+K"	39.970434
"1449709"	103.034917	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+K"	39.970434
"238310"	374.232626	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+ACN+H"	42.033826
"1211382"	208.133226	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+ACN+H"	42.033826
"1195631"	104.570251	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+ACN+2H"	43.041102
"196526"	377.16996	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2Na-H"	44.97116
"635356"	543.26936	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2Na-H"	44.97116
"1141778"	211.07056	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2Na-H"	44.97116
"178143"	189.088618	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2Na"	45.978436
"625363"	272.138318	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2Na"	45.978436
"1127043"	106.038918	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2Na"	45.978436
"1410568"	71.0283706666667	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+2Na"	46.985712
"1443049"	213.112146	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+HCOOH"	47.012746
"229102"	194.12164	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+3H2O+2H"	56.04448
"1520442"	227.16419	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+IsoProp+H"	61.06479
"420128"	197.075588	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+Na+K"	61.952376
"778939"	280.125288	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+Na+K"	61.952376
"1673083"	114.025888	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na+K"	61.952376
"258509"	396.214568	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+ACN+Na"	64.015768
"1228302"	230.115168	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+ACN+Na"	64.015768
"1715731"	230.138693	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+NH4+HCOOH"	64.039293
"1180719"	78.3556846666667	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+3Na"	68.967654
"1649909"	235.094088	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na+HCOOH"	68.994688
"157171"	409.11784	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2K-H"	76.91904
"603962"	575.21724	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2K-H"	76.91904
"1092849"	243.01844	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2K-H"	76.91904
"145293"	205.062558	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"2M+2K"	77.926316
"583761"	288.112258	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"3M+2K"	77.926316
"1071554"	122.012858	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2K"	77.926316
"1109137"	245.032992	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2K+H"	78.933592
"1337016"	245.120607	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+DMSO+H"	79.021207
"1008583"	249.159776	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2ACN+H"	83.060376
"1533271"	250.153408	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+IsoProp+Na+H"	84.054008
"997534"	125.083526	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+2ACN+2H"	84.067652
"1596409"	251.068028	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K+HCOOH"	84.968628
"1417695"	281.099538	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+H+CF3COOH"	115.000138
"1148349"	145.596801	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+3ACN+2H"	125.094202
"1698629"	298.126085	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+NH4+CF3COOH"	132.026685
"1634762"	303.08148	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+Na+CF3COOH"	136.98208
"1577585"	319.05542	"C20320"	"Bornane-26-dione;6-Oxocamphor"	"C10H14O2"	"166.0994"	"M+K+CF3COOH"	152.95602
"811234"	947.1939	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M"	0
"981486"	928.17551	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-H2O-H"	-19.01839
"76293"	630.455324	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M-3H"	-3.021828
"513668"	946.186624	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M-3H"	-3.021828
"893657"	314.724024	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-3H"	-3.021828
"8950"	946.186624	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M-2H"	-2.014552
"447419"	1419.783574	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M-2H"	-2.014552
"825221"	472.589674	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-2H"	-2.014552
"85215"	1893.380524	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M-H"	-1.007276
"526959"	2840.574424	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M-H"	-1.007276
"904762"	946.186624	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-H"	-1.007276
"54762"	1910.407071	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M-2H+NH4"	16.019271
"496510"	2857.600971	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M-2H+NH4"	16.019271
"867023"	963.213171	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-2H+NH4"	16.019271
"33101"	1915.362466	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M-2H+Na"	20.974666
"474851"	2862.556366	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M-2H+Na"	20.974666
"851558"	968.168566	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-2H+Na"	20.974666
"1621457"	968.168566	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Na-2H"	20.974666
"97624"	964.174963	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M-H+Cl"	33.962126
"540830"	1437.771913	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M-H+Cl"	33.962126
"931064"	490.578013	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-H+Cl"	33.962126
"271808"	1929.357202	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+Cl"	34.969402
"662038"	2876.551102	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+Cl"	34.969402
"1274441"	982.163302	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Cl"	34.969402
"17724"	1931.336406	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M-2H+K"	36.948606
"455952"	2878.530306	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M-2H+K"	36.948606
"833756"	984.142506	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-2H+K"	36.948606
"1566609"	984.142506	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+K-2H"	36.948606
"954492"	992.192094	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-H+HCOOH"	44.998194
"371613"	1939.386001	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+HCOOH-H"	44.998201
"355497"	1953.401651	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+Hac-H"	59.013851
"1508105"	1006.207751	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Hac-H"	59.013851
"972603"	1014.174051	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-H+NaCOOH"	66.980151
"123336"	982.163302	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+2Cl"	69.938804
"563625"	1455.760252	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+2Cl"	69.938804
"1030238"	508.566352	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2Cl"	69.938804
"1246536"	1026.112785	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Br"	78.918885
"1313356"	1028.168772	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Cl+HCOOH"	80.974872
"1332675"	1050.150729	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Cl+NaCOOH"	102.956829
"918633"	1060.179486	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M-H+CF3COOH"	112.985586
"1289144"	1096.156164	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Cl+CF3COOH"	148.962264
"1369129"	912.181224	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H-2H2O"	-35.012676
"1393187"	930.1912	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H-H2O"	-17.0027
"290686"	1895.395076	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+H"	1.007276
"687483"	2842.588976	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+H"	1.007276
"1363106"	948.201176	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H"	1.007276
"137453"	948.201176	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+2H"	2.014552
"573003"	1421.798126	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+2H"	2.014552
"1040711"	474.604226	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2H"	2.014552
"207517"	632.469876	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+3H"	3.021828
"656927"	948.201176	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+3H"	3.021828
"1171772"	316.738576	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+3H"	3.021828
"433585"	1912.421623	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+NH4"	18.033823
"792759"	2859.615523	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+NH4"	18.033823
"1694921"	965.227723	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+NH4"	18.033823
"340650"	956.7144495	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+H+NH4"	19.041099
"730884"	1430.3113995	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+H+NH4"	19.041099
"1484704"	483.1174995	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H+NH4"	19.041099
"393908"	1917.377018	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+Na"	22.989218
"755632"	2864.570918	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+Na"	22.989218
"1605917"	970.183118	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Na"	22.989218
"325796"	959.192147	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+H+Na"	23.996494
"718218"	1432.789097	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+H+Na"	23.996494
"1468758"	485.595197	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H+Na"	23.996494
"1062000"	324.06589	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2H+Na"	25.00377
"1262585"	980.227386	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+CH3OH+H"	33.033486
"380066"	1933.350958	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+K"	38.963158
"738590"	2880.544858	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+K"	38.963158
"1545308"	986.157058	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+K"	38.963158
"304668"	967.179117	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+H+K"	39.970434
"697089"	1440.776067	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+H+K"	39.970434
"1447266"	493.582167	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H+K"	39.970434
"237325"	1936.421626	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+ACN+H"	42.033826
"1211246"	989.227726	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+ACN+H"	42.033826
"1194769"	495.117501	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+ACN+2H"	43.041102
"196635"	1939.35896	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+2Na-H"	44.97116
"635102"	2886.55286	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+2Na-H"	44.97116
"1136056"	992.16506	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2Na-H"	44.97116
"177525"	970.183118	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+2Na"	45.978436
"621465"	1443.780068	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+2Na"	45.978436
"1123873"	496.586168	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2Na"	45.978436
"1409220"	331.393204	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H+2Na"	46.985712
"1440607"	994.206646	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H+HCOOH"	47.012746
"227024"	975.21614	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+3H2O+2H"	56.04448
"1518365"	1008.25869	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+IsoProp+H"	61.06479
"418052"	978.170088	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+Na+K"	61.952376
"780140"	1451.767038	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+Na+K"	61.952376
"1672101"	504.573138	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Na+K"	61.952376
"259712"	1958.403568	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+ACN+Na"	64.015768
"1232421"	1011.209668	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+ACN+Na"	64.015768
"1715473"	1011.233193	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+NH4+HCOOH"	64.039293
"1179407"	338.720518	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+3Na"	68.967654
"1649886"	1016.188588	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Na+HCOOH"	68.994688
"157151"	1971.30684	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+2K-H"	76.91904
"598604"	2918.50074	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+2K-H"	76.91904
"1084361"	1024.11294	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2K-H"	76.91904
"143578"	986.157058	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"2M+2K"	77.926316
"583871"	1459.754008	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"3M+2K"	77.926316
"1071664"	512.560108	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2K"	77.926316
"1107060"	1026.127492	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2K+H"	78.933592
"1337005"	1026.215107	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+DMSO+H"	79.021207
"1007600"	1030.254276	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2ACN+H"	83.060376
"1533381"	1031.247908	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+IsoProp+Na+H"	84.054008
"997644"	515.630776	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+2ACN+2H"	84.067652
"1596519"	1032.162528	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+K+HCOOH"	84.968628
"1417805"	1062.194038	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+H+CF3COOH"	115.000138
"1148459"	536.144051	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+3ACN+2H"	125.094202
"1698739"	1079.220585	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+NH4+CF3COOH"	132.026685
"1634751"	1084.17598	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+Na+CF3COOH"	136.98208
"1571333"	1100.14992	"C20321"	"(2R)-334-Trimethyl-6-oxo-36-dihydro-1H-pyran-2-ylacetyl-CoA"	"C31H48N7O19P3S"	"947.1939"	"M+K+CF3COOH"	152.95602
"814624"	168.115	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M"	0
"981596"	149.09661	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"78213"	111.069390666667	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"517666"	167.107724	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"894497"	55.0310573333333	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"11247"	167.107724	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"451901"	251.165224	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"827519"	83.050224	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"86419"	335.222724	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"530351"	503.337724	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"905966"	167.107724	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"55965"	352.249271	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"496621"	520.364271	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"869685"	184.134271	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"33939"	357.204666	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"478606"	525.319666	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"855314"	189.089666	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1624483"	189.089666	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"98462"	185.096063	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"540940"	269.153563	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"931902"	101.038563	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"275198"	371.199402	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"663974"	539.314402	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1274554"	203.084402	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"20391"	373.178606	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"459953"	541.293606	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"834839"	205.063606	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1566719"	205.063606	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"954602"	213.113194	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"370630"	381.228201	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"356700"	395.243851	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1508176"	227.128851	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"973078"	235.095151	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"119801"	203.084402	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"560455"	287.141902	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1030350"	119.026902	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1243366"	247.033885	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1311280"	249.089872	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1333757"	271.071829	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"917650"	281.100586	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1291076"	317.077264	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1368143"	133.102324	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1387829"	151.1123	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"292983"	337.237276	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"687593"	505.352276	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1362851"	169.122276	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H"	1.007276
"137562"	169.122276	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"572020"	253.179776	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1043007"	85.064776	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"207262"	113.083942666667	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"656309"	169.122276	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1172975"	57.0456093333333	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"436978"	354.263823	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"797609"	522.378823	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1693939"	186.148823	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"338573"	177.6355495	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"732088"	261.6930495	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1486637"	93.5780495	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"394747"	359.219218	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"756837"	527.334218	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1609308"	191.104218	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"322626"	180.113247	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"716141"	264.170747	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1468867"	96.055747	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1058829"	64.3729233333333	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1263789"	201.148486	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"377622"	375.193158	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"739714"	543.308158	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1543232"	207.078158	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K"	38.963158
"302956"	188.100217	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"696107"	272.157717	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1447740"	104.042717	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"238161"	378.263826	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1210628"	210.148826	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1194509"	105.578051	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"192370"	381.20116	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"631568"	549.31616	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1135802"	213.08616	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"177270"	191.104218	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"624126"	275.161718	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1123983"	107.046718	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1409694"	71.7002373333333	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1440718"	215.127746	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"229321"	196.13724	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1518475"	229.17979	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"421078"	199.091188	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"779157"	283.148688	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1674396"	115.033688	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"259821"	400.245768	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1230344"	232.130768	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1715583"	232.154293	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1181665"	79.0275513333333	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1649898"	237.109688	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"157252"	413.14904	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"598714"	581.26404	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1084800"	245.03404	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"144417"	207.078158	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"581823"	291.135658	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1076148"	123.020658	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1111545"	247.048592	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1338087"	247.136207	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1012084"	251.175376	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1536773"	252.169008	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"999941"	126.091326	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1597722"	253.083628	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1422288"	283.115138	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1151485"	146.604601	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1702129"	300.141685	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1637780"	305.09708	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1571484"	321.07102	"C20322"	"()-6-exo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"813641"	168.115	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M"	0
"981706"	149.09661	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H2O-H"	-19.01839
"74326"	111.069390666667	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-3H"	-3.021828
"516073"	167.107724	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-3H"	-3.021828
"894242"	55.0310573333333	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-3H"	-3.021828
"10264"	167.107724	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H"	-2.014552
"450918"	251.165224	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H"	-2.014552
"826535"	83.050224	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H"	-2.014552
"88716"	335.222724	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-H"	-1.007276
"526086"	503.337724	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-H"	-1.007276
"904982"	167.107724	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H"	-1.007276
"56075"	352.249271	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+NH4"	16.019271
"495637"	520.364271	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+NH4"	16.019271
"869430"	184.134271	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+NH4"	16.019271
"36966"	357.204666	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+Na"	20.974666
"477987"	525.319666	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+Na"	20.974666
"855059"	189.089666	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+Na"	20.974666
"1624593"	189.089666	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na-2H"	20.974666
"96020"	185.096063	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-H+Cl"	33.962126
"539226"	269.153563	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-H+Cl"	33.962126
"931281"	101.038563	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+Cl"	33.962126
"269836"	371.199402	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Cl"	34.969402
"663353"	539.314402	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Cl"	34.969402
"1274300"	203.084402	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl"	34.969402
"20501"	373.178606	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M-2H+K"	36.948606
"458239"	541.293606	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M-2H+K"	36.948606
"835309"	205.063606	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-2H+K"	36.948606
"1566829"	205.063606	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K-2H"	36.948606
"952525"	213.113194	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+HCOOH"	44.998194
"365272"	381.228201	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+HCOOH-H"	44.998201
"356810"	395.243851	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Hac-H"	59.013851
"1507714"	227.128851	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Hac-H"	59.013851
"973187"	235.095151	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+NaCOOH"	66.980151
"125381"	203.084402	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Cl"	69.938804
"563481"	287.141902	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Cl"	69.938804
"1031553"	119.026902	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Cl"	69.938804
"1247850"	247.033885	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Br"	78.918885
"1316857"	249.089872	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+HCOOH"	80.974872
"1333259"	271.071829	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+NaCOOH"	102.956829
"916668"	281.100586	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M-H+CF3COOH"	112.985586
"1292280"	317.077264	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Cl+CF3COOH"	148.962264
"1368255"	133.102324	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H-2H2O"	-35.012676
"1387939"	151.1123	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H-H2O"	-17.0027
"293093"	337.237276	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H"	1.007276
"686610"	505.352276	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H"	1.007276
"1361867"	169.122276	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H"	1.007276
"136943"	169.122276	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2H"	2.014552
"573223"	253.179776	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2H"	2.014552
"1042024"	85.064776	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2H"	2.014552
"208101"	113.083942666667	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+3H"	3.021828
"657514"	169.122276	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+3H"	3.021828
"1176370"	57.0456093333333	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3H"	3.021828
"438909"	354.263823	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+NH4"	18.033823
"792977"	522.378823	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+NH4"	18.033823
"1692588"	186.148823	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4"	18.033823
"338680"	177.6355495	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+NH4"	19.041099
"728914"	261.6930495	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+NH4"	19.041099
"1486018"	93.5780495	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+NH4"	19.041099
"397045"	359.219218	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Na"	22.989218
"758767"	527.334218	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Na"	22.989218
"1609418"	191.104218	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na"	22.989218
"325288"	180.113247	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+Na"	23.996494
"716249"	264.170747	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+Na"	23.996494
"1470071"	96.055747	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+Na"	23.996494
"1062220"	64.3729233333333	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2H+Na"	25.00377
"1262076"	201.148486	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+CH3OH+H"	33.033486
"381378"	375.193158	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+K"	38.963158
"738847"	543.308158	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+K"	38.963158
"1545528"	207.078158	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K"	38.963158
"303795"	188.100217	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+H+K"	39.970434
"698403"	272.157717	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+H+K"	39.970434
"1448943"	104.042717	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+K"	39.970434
"237907"	378.263826	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+ACN+H"	42.033826
"1212074"	210.148826	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+H"	42.033826
"1196686"	105.578051	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+2H"	43.041102
"195031"	381.20116	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Na-H"	44.97116
"633501"	549.31616	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Na-H"	44.97116
"1134089"	213.08616	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Na-H"	44.97116
"177380"	191.104218	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2Na"	45.978436
"623870"	275.161718	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2Na"	45.978436
"1124093"	107.046718	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2Na"	45.978436
"1408711"	71.7002373333333	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+2Na"	46.985712
"1438642"	215.127746	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+HCOOH"	47.012746
"226150"	196.13724	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+3H2O+2H"	56.04448
"1517491"	229.17979	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+IsoProp+H"	61.06479
"420457"	199.091188	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+Na+K"	61.952376
"779267"	283.148688	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+Na+K"	61.952376
"1675599"	115.033688	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+K"	61.952376
"259931"	400.245768	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+ACN+Na"	64.015768
"1232641"	232.130768	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+ACN+Na"	64.015768
"1716059"	232.154293	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4+HCOOH"	64.039293
"1179344"	79.0275513333333	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3Na"	68.967654
"1649925"	237.109688	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+HCOOH"	68.994688
"157390"	413.14904	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2K-H"	76.91904
"597158"	581.26404	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2K-H"	76.91904
"1084259"	245.03404	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K-H"	76.91904
"145620"	207.078158	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"2M+2K"	77.926316
"581386"	291.135658	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"3M+2K"	77.926316
"1068596"	123.020658	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K"	77.926316
"1100229"	247.048592	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2K+H"	78.933592
"1336004"	247.136207	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+DMSO+H"	79.021207
"1012194"	251.175376	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2ACN+H"	83.060376
"1536883"	252.169008	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+IsoProp+Na+H"	84.054008
"1002237"	126.091326	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+2ACN+2H"	84.067652
"1597832"	253.083628	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K+HCOOH"	84.968628
"1422398"	283.115138	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+H+CF3COOH"	115.000138
"1151595"	146.604601	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+3ACN+2H"	125.094202
"1702239"	300.141685	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+NH4+CF3COOH"	132.026685
"1646638"	305.09708	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+Na+CF3COOH"	136.98208
"1577915"	321.07102	"C20323"	"()-6-endo-Hydroxycamphor"	"C10H16O2"	"168.115"	"M+K+CF3COOH"	152.95602
"814480"	184.1099	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M"	0
"981816"	165.09151	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-H2O-H"	-19.01839
"70062"	121.732657333333	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M-3H"	-3.021828
"511810"	183.102624	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M-3H"	-3.021828
"891799"	60.3626906666667	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-3H"	-3.021828
"9280"	183.102624	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M-2H"	-2.014552
"449935"	275.157574	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M-2H"	-2.014552
"827738"	91.047674	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-2H"	-2.014552
"91377"	367.212524	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M-H"	-1.007276
"527289"	551.322424	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M-H"	-1.007276
"907278"	183.102624	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-H"	-1.007276
"55091"	384.239071	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M-2H+NH4"	16.019271
"497933"	568.348971	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M-2H+NH4"	16.019271
"872455"	200.129171	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-2H+NH4"	16.019271
"38169"	389.194466	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M-2H+Na"	20.974666
"482106"	573.304366	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M-2H+Na"	20.974666
"854804"	205.084566	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-2H+Na"	20.974666
"1629442"	205.084566	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Na-2H"	20.974666
"99775"	201.090963	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M-H+Cl"	33.962126
"540065"	293.145913	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M-H+Cl"	33.962126
"932486"	109.036013	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-H+Cl"	33.962126
"271405"	403.189202	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+Cl"	34.969402
"664556"	587.299102	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+Cl"	34.969402
"1274409"	219.079302	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Cl"	34.969402
"19515"	405.168406	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M-2H+K"	36.948606
"457253"	589.278306	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M-2H+K"	36.948606
"836876"	221.058506	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-2H+K"	36.948606
"1564751"	221.058506	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+K-2H"	36.948606
"949352"	229.108094	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-H+HCOOH"	44.998194
"364286"	413.218001	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+HCOOH-H"	44.998201
"356920"	427.233651	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+Hac-H"	59.013851
"1508069"	243.123751	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Hac-H"	59.013851
"971107"	251.090051	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-H+NaCOOH"	66.980151
"124648"	219.079302	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+2Cl"	69.938804
"565621"	311.134252	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+2Cl"	69.938804
"1034579"	127.024352	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2Cl"	69.938804
"1253426"	263.028785	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Br"	78.918885
"1316967"	265.084772	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Cl+HCOOH"	80.974872
"1334466"	287.066729	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Cl+NaCOOH"	102.956829
"922244"	297.095486	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M-H+CF3COOH"	112.985586
"1295672"	333.072164	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Cl+CF3COOH"	148.962264
"1371645"	149.097224	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H-2H2O"	-35.012676
"1389141"	167.1072	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H-H2O"	-17.0027
"294295"	369.227076	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+H"	1.007276
"687447"	553.336976	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+H"	1.007276
"1358699"	185.117176	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H"	1.007276
"132679"	185.117176	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+2H"	2.014552
"570052"	277.172126	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+2H"	2.014552
"1045414"	93.062226	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2H"	2.014552
"208211"	123.747209333333	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+3H"	3.021828
"657622"	185.117176	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+3H"	3.021828
"1176477"	62.3772426666667	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+3H"	3.021828
"433186"	386.253623	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+NH4"	18.033823
"788713"	570.363523	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+NH4"	18.033823
"1689418"	202.143723	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+NH4"	18.033823
"344504"	193.6304495	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+H+NH4"	19.041099
"736316"	285.6853995	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+H+NH4"	19.041099
"1489409"	101.5754995	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H+NH4"	19.041099
"400437"	391.209018	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+Na"	22.989218
"760338"	575.318918	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+Na"	22.989218
"1607342"	207.099118	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Na"	22.989218
"323940"	196.108147	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+H+Na"	23.996494
"718183"	288.163097	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+H+Na"	23.996494
"1472367"	104.053197	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H+Na"	23.996494
"1059050"	69.7045566666667	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2H+Na"	25.00377
"1260729"	217.143386	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+CH3OH+H"	33.033486
"381488"	407.182958	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+K"	38.963158
"739366"	591.292858	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+K"	38.963158
"1545638"	223.073058	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+K"	38.963158
"302815"	204.095117	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+H+K"	39.970434
"696328"	296.150067	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+H+K"	39.970434
"1447230"	112.040167	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H+K"	39.970434
"237655"	410.253626	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+ACN+H"	42.033826
"1210968"	226.143726	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+ACN+H"	42.033826
"1196435"	113.575501	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+ACN+2H"	43.041102
"194777"	413.19096	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+2Na-H"	44.97116
"633610"	597.30086	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+2Na-H"	44.97116
"1138939"	229.08106	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2Na-H"	44.97116
"177855"	207.099118	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+2Na"	45.978436
"625072"	299.154068	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+2Na"	45.978436
"1126390"	115.044168	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2Na"	45.978436
"1409915"	77.0318706666667	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H+2Na"	46.985712
"1442029"	231.122646	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H+HCOOH"	47.012746
"233916"	212.13214	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+3H2O+2H"	56.04448
"1521974"	245.17469	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+IsoProp+H"	61.06479
"420567"	215.086088	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+Na+K"	61.952376
"781564"	307.141038	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+Na+K"	61.952376
"1678989"	123.031138	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Na+K"	61.952376
"260041"	432.235568	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+ACN+Na"	64.015768
"1234937"	248.125668	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+ACN+Na"	64.015768
"1721637"	248.149193	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+NH4+HCOOH"	64.039293
"1184803"	84.3591846666667	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+3Na"	68.967654
"1650560"	253.104588	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Na+HCOOH"	68.994688
"157782"	445.13884	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+2K-H"	76.91904
"598934"	629.24874	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+2K-H"	76.91904
"1084901"	261.02894	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2K-H"	76.91904
"144637"	223.073058	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"2M+2K"	77.926316
"581759"	315.128008	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"3M+2K"	77.926316
"1068950"	131.018108	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2K"	77.926316
"1101311"	263.043492	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2K+H"	78.933592
"1336234"	263.131107	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+DMSO+H"	79.021207
"1012304"	267.170276	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2ACN+H"	83.060376
"1538086"	268.163908	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+IsoProp+Na+H"	84.054008
"1002347"	134.088776	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+2ACN+2H"	84.067652
"1597942"	269.078528	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+K+HCOOH"	84.968628
"1422508"	299.110038	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+H+CF3COOH"	115.000138
"1151705"	154.602051	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+3ACN+2H"	125.094202
"1703442"	316.136585	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+NH4+CF3COOH"	132.026685
"1646748"	321.09198	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+Na+CF3COOH"	136.98208
"1578025"	337.06592	"C20324"	"(1S)-4-Hydroxy-223-trimethylcyclopent-3-enylacetate"	"C10H16O3"	"184.1099"	"M+K+CF3COOH"	152.95602
"814955"	220.1827	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M"	0
"985206"	201.16431	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-H2O-H"	-19.01839
"75638"	145.781190666667	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M-3H"	-3.021828
"510826"	219.175424	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M-3H"	-3.021828
"886441"	72.3869573333333	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-3H"	-3.021828
"7203"	219.175424	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M-2H"	-2.014552
"445670"	329.266774	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M-2H"	-2.014552
"826754"	109.084074	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-2H"	-2.014552
"88935"	439.358124	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M-H"	-1.007276
"526305"	659.540824	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M-H"	-1.007276
"905202"	219.175424	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-H"	-1.007276
"54108"	456.384671	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M-2H+NH4"	16.019271
"498042"	676.567371	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M-2H+NH4"	16.019271
"874751"	236.201971	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-2H+NH4"	16.019271
"45932"	461.340066	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M-2H+Na"	20.974666
"472611"	681.522766	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M-2H+Na"	20.974666
"850660"	241.157366	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-2H+Na"	20.974666
"1625177"	241.157366	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Na-2H"	20.974666
"98427"	237.163763	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M-H+Cl"	33.962126
"536894"	347.255113	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M-H+Cl"	33.962126
"932960"	127.072413	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-H+Cl"	33.962126
"269693"	475.334802	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+Cl"	34.969402
"665760"	695.517502	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+Cl"	34.969402
"1273790"	255.152102	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Cl"	34.969402
"18167"	477.314006	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M-2H+K"	36.948606
"456755"	697.496706	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M-2H+K"	36.948606
"835163"	257.131306	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-2H+K"	36.948606
"1564861"	257.131306	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+K-2H"	36.948606
"950555"	265.180894	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-H+HCOOH"	44.998194
"364396"	485.363601	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+HCOOH-H"	44.998201
"357030"	499.379251	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+Hac-H"	59.013851
"1507448"	279.196551	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Hac-H"	59.013851
"971217"	287.162851	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-H+NaCOOH"	66.980151
"124514"	255.152102	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+2Cl"	69.938804
"565287"	365.243452	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+2Cl"	69.938804
"1030679"	145.060752	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2Cl"	69.938804
"1251349"	299.101585	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Br"	78.918885
"1317077"	301.157572	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Cl+HCOOH"	80.974872
"1330198"	323.139529	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Cl+NaCOOH"	102.956829
"919071"	333.168286	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M-H+CF3COOH"	112.985586
"1296875"	369.144964	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Cl+CF3COOH"	148.962264
"1370662"	185.170024	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H-2H2O"	-35.012676
"1385603"	203.18	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H-H2O"	-17.0027
"294405"	441.372676	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+H"	1.007276
"686827"	661.555376	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+H"	1.007276
"1360993"	221.189976	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H"	1.007276
"130605"	221.189976	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+2H"	2.014552
"572352"	331.281326	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+2H"	2.014552
"1044431"	111.098626	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2H"	2.014552
"215613"	147.795742666667	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+3H"	3.021828
"656639"	221.189976	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+3H"	3.021828
"1171119"	74.4015093333333	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+3H"	3.021828
"432201"	458.399223	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+NH4"	18.033823
"788823"	678.581923	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+NH4"	18.033823
"1689528"	238.216523	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+NH4"	18.033823
"342181"	229.7032495	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+H+NH4"	19.041099
"732415"	339.7945995	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+H+NH4"	19.041099
"1486236"	119.6118995	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H+NH4"	19.041099
"399450"	463.354618	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+Na"	22.989218
"762632"	683.537318	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+Na"	22.989218
"1606723"	243.171918	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Na"	22.989218
"318583"	232.180947	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+H+Na"	23.996494
"712096"	342.272297	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+H+Na"	23.996494
"1466279"	122.089597	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H+Na"	23.996494
"1058430"	81.7288233333333	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2H+Na"	25.00377
"1257920"	253.216186	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+CH3OH+H"	33.033486
"378924"	479.328558	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+K"	38.963158
"739555"	699.511258	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+K"	38.963158
"1546842"	259.145858	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+K"	38.963158
"307298"	240.167917	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+H+K"	39.970434
"696802"	350.259267	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+H+K"	39.970434
"1448433"	130.076567	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H+K"	39.970434
"238493"	482.399226	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+ACN+H"	42.033826
"1210835"	262.216526	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+ACN+H"	42.033826
"1197638"	131.611901	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+ACN+2H"	43.041102
"194887"	485.33656	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+2Na-H"	44.97116
"634813"	705.51926	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+2Na-H"	44.97116
"1136131"	265.15386	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2Na-H"	44.97116
"183433"	243.171918	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+2Na"	45.978436
"625183"	353.263268	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+2Na"	45.978436
"1125406"	133.080568	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2Na"	45.978436
"1410024"	89.0561373333333	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H+2Na"	46.985712
"1439952"	267.195446	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H+HCOOH"	47.012746
"232930"	248.20494	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+3H2O+2H"	56.04448
"1520991"	281.24749	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+IsoProp+H"	61.06479
"417396"	251.158888	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+Na+K"	61.952376
"782767"	361.250238	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+Na+K"	61.952376
"1676910"	141.067538	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Na+K"	61.952376
"257964"	504.381168	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+ACN+Na"	64.015768
"1235046"	284.198468	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+ACN+Na"	64.015768
"1718465"	284.221993	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+NH4+HCOOH"	64.039293
"1181633"	96.3834513333333	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+3Na"	68.967654
"1650670"	289.177388	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Na+HCOOH"	68.994688
"157773"	517.28444	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+2K-H"	76.91904
"600137"	737.46714	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+2K-H"	76.91904
"1085374"	297.10174	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2K-H"	76.91904
"144746"	259.145858	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"2M+2K"	77.926316
"584308"	369.237208	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"3M+2K"	77.926316
"1070153"	149.054508	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2K"	77.926316
"1103123"	299.116292	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2K+H"	78.933592
"1337317"	299.203907	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+DMSO+H"	79.021207
"1010228"	303.243076	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2ACN+H"	83.060376
"1539047"	304.236708	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+IsoProp+Na+H"	84.054008
"1003429"	152.125176	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+2ACN+2H"	84.067652
"1598052"	305.151328	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+K+HCOOH"	84.968628
"1422618"	335.182838	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+H+CF3COOH"	115.000138
"1151815"	172.638451	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+3ACN+2H"	125.094202
"1702459"	352.209385	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+NH4+CF3COOH"	132.026685
"1646858"	357.16478	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+Na+CF3COOH"	136.98208
"1578135"	373.13872	"C20325"	"(11R)-Dihydroartemisinic aldehyde"	"C15H24O"	"220.1827"	"M+K+CF3COOH"	152.95602
"815068"	170.1307	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M"	0
"982036"	151.11231	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"71377"	112.413190666667	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"509844"	169.123424	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"884365"	55.7029573333333	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"2939"	169.123424	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"441769"	254.188774	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"824676"	84.058074	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"87951"	339.254124	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"523136"	509.384824	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"901302"	169.123424	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"52033"	356.280671	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"494874"	526.411371	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"872676"	186.149971	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"40577"	361.236066	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"477954"	531.366766	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"851016"	191.105366	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1623103"	191.105366	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"95985"	187.111763	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"536032"	272.177113	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"929425"	102.046413	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"270169"	375.230802	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"669150"	545.361502	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1273900"	205.100102	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"15842"	377.210006	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"456743"	547.340706	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"834184"	207.079306	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1559502"	207.079306	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"950665"	215.128894	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"363413"	385.259601	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"354951"	399.275251	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1506706"	229.144551	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"970599"	237.110851	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"124382"	205.100102	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"565438"	290.165452	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1035162"	120.034752	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1251459"	249.049585	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1319374"	251.105572	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1330308"	273.087529	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"919181"	283.116286	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1296984"	319.092964	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1371864"	135.118024	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1384986"	153.128	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"294515"	341.268676	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"690217"	511.399376	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1361103"	171.137976	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"133995"	171.137976	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"571368"	256.203326	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1045635"	86.072626	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"215723"	114.427742666667	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"657841"	171.137976	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1173413"	57.7175093333333	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"426842"	358.295223	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"791119"	528.425923	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1688545"	188.164523	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"339011"	179.6512495	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"729244"	264.7165995	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1483065"	94.5858995	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"401745"	363.250618	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"762741"	533.381318	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1609746"	193.119918	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"320876"	182.128947	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"712203"	267.194297	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1464931"	97.063597	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1055260"	65.0448233333333	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1260219"	203.164186	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"377938"	379.224558	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"738552"	549.355258	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1548046"	209.093858	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"308502"	190.115917	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"696912"	275.181267	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1448908"	105.050567	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"237267"	382.295226	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1210257"	212.164526	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1197748"	106.585901	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"194999"	385.23256	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"634559"	555.36326	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1139159"	215.10186	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"184639"	193.119918	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"624200"	278.185268	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1126610"	108.054568	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1409041"	72.3721373333333	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1438969"	217.143446	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"230855"	198.15294	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1517822"	231.19549	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"420787"	201.106888	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"777410"	286.172238	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1673740"	116.041538	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"262449"	404.277168	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1229690"	234.146468	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1715658"	234.169993	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1181743"	79.6994513333333	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1651637"	239.125388	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"157641"	417.18044	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"600247"	587.31114	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1085605"	247.04974	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"142669"	209.093858	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"583324"	294.159208	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1070142"	124.028508	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1102139"	249.064292	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1336696"	249.151907	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1009244"	253.191076	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1528460"	254.184708	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"1003660"	127.099176	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1598162"	255.099328	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1420541"	285.130838	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1151925"	147.612451	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1703664"	302.157385	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1646968"	307.11278	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1578245"	323.08672	"C20326"	"2-exo-Hydroxy-18-cineole"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"805332"	178.063	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M"	0
"982146"	159.04461	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-H2O-H"	-19.01839
"74761"	117.701390666667	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M-3H"	-3.021828
"511047"	177.055724	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M-3H"	-3.021828
"886662"	58.3470573333333	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-3H"	-3.021828
"5235"	177.055724	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M-2H"	-2.014552
"444795"	266.087224	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M-2H"	-2.014552
"824786"	88.024224	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-2H"	-2.014552
"89154"	355.118724	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M-H"	-1.007276
"526528"	533.181724	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M-H"	-1.007276
"903236"	177.055724	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-H"	-1.007276
"55425"	372.145271	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M-2H+NH4"	16.019271
"498265"	550.208271	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M-2H+NH4"	16.019271
"877283"	194.082271	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-2H+NH4"	16.019271
"43967"	377.100666	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M-2H+Na"	20.974666
"475877"	555.163666	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M-2H+Na"	20.974666
"851490"	199.037666	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-2H+Na"	20.974666
"1623213"	199.037666	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Na-2H"	20.974666
"95733"	195.044063	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M-H+Cl"	33.962126
"536022"	284.075563	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M-H+Cl"	33.962126
"931723"	106.012563	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-H+Cl"	33.962126
"271372"	391.095402	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+Cl"	34.969402
"665980"	569.158402	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+Cl"	34.969402
"1274739"	213.032402	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Cl"	34.969402
"17049"	393.074606	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M-2H+K"	36.948606
"457460"	571.137606	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M-2H+K"	36.948606
"833564"	215.011606	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-2H+K"	36.948606
"1559612"	215.011606	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+K-2H"	36.948606
"949682"	223.061194	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-H+HCOOH"	44.998194
"366804"	401.124201	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+HCOOH-H"	44.998201
"353968"	415.139851	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+Hac-H"	59.013851
"1506085"	237.076851	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Hac-H"	59.013851
"969250"	245.043151	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-H+NaCOOH"	66.980151
"125463"	213.032402	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+2Cl"	69.938804
"565615"	302.063902	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+2Cl"	69.938804
"1036246"	124.000902	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2Cl"	69.938804
"1250476"	256.981885	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Br"	78.918885
"1315110"	259.037872	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Cl+HCOOH"	80.974872
"1334428"	281.019829	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Cl+NaCOOH"	102.956829
"919291"	291.048586	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M-H+CF3COOH"	112.985586
"1298188"	327.025264	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Cl+CF3COOH"	148.962264
"1374162"	143.050324	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H-2H2O"	-35.012676
"1386190"	161.0603	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H-H2O"	-17.0027
"294625"	357.133276	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+H"	1.007276
"689599"	535.196276	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+H"	1.007276
"1360121"	179.070276	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H"	1.007276
"139937"	179.070276	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+2H"	2.014552
"572571"	268.101776	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+2H"	2.014552
"1044652"	90.038776	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2H"	2.014552
"215833"	119.715942666667	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+3H"	3.021828
"657587"	179.070276	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+3H"	3.021828
"1172430"	60.3616093333333	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+3H"	3.021828
"428047"	374.159823	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+NH4"	18.033823
"793417"	552.222823	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+NH4"	18.033823
"1688655"	196.096823	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+NH4"	18.033823
"341673"	187.5835495	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+H+NH4"	19.041099
"732634"	276.6150495	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+H+NH4"	19.041099
"1483175"	98.5520495	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H+NH4"	19.041099
"400762"	379.115218	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+Na"	22.989218
"762851"	557.178218	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+Na"	22.989218
"1610950"	201.052218	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Na"	22.989218
"324266"	190.061247	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+H+Na"	23.996494
"712314"	279.092747	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+H+Na"	23.996494
"1464313"	101.029747	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H+Na"	23.996494
"1054641"	67.6889233333333	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2H+Na"	25.00377
"1260694"	211.096486	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+CH3OH+H"	33.033486
"378538"	395.089158	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+K"	38.963158
"738524"	573.152158	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+K"	38.963158
"1545970"	217.026158	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+K"	38.963158
"304238"	198.048217	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+H+K"	39.970434
"696658"	287.079717	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+H+K"	39.970434
"1448653"	109.016717	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H+K"	39.970434
"236645"	398.159826	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+ACN+H"	42.033826
"1211177"	220.096826	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+ACN+H"	42.033826
"1197858"	110.552051	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+ACN+2H"	43.041102
"195107"	401.09716	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+2Na-H"	44.97116
"633575"	579.16016	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+2Na-H"	44.97116
"1139269"	223.03416	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2Na-H"	44.97116
"182198"	201.052218	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+2Na"	45.978436
"621030"	290.083718	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+2Na"	45.978436
"1122348"	112.020718	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2Na"	45.978436
"1402592"	75.0162373333333	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H+2Na"	46.985712
"1435799"	225.075746	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H+HCOOH"	47.012746
"224403"	206.08524	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+3H2O+2H"	56.04448
"1509183"	239.12779	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+IsoProp+H"	61.06479
"409234"	209.039188	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+Na+K"	61.952376
"777520"	298.070688	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+Na+K"	61.952376
"1667651"	120.007688	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Na+K"	61.952376
"259279"	420.141768	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+ACN+Na"	64.015768
"1228707"	242.078768	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+ACN+Na"	64.015768
"1715401"	242.102293	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+NH4+HCOOH"	64.039293
"1179054"	82.3435513333333	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+3Na"	68.967654
"1650892"	247.057688	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Na+HCOOH"	68.994688
"157237"	433.04504	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+2K-H"	76.91904
"599264"	611.10804	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+2K-H"	76.91904
"1084500"	254.98204	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2K-H"	76.91904
"142779"	217.026158	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"2M+2K"	77.926316
"584527"	306.057658	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"3M+2K"	77.926316
"1069765"	127.994658	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2K"	77.926316
"1101520"	256.996592	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2K+H"	78.933592
"1335724"	257.084207	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+DMSO+H"	79.021207
"1010447"	261.123376	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2ACN+H"	83.060376
"1528570"	262.117008	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+IsoProp+Na+H"	84.054008
"1003770"	131.065326	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+2ACN+2H"	84.067652
"1597179"	263.031628	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+K+HCOOH"	84.968628
"1421744"	293.063138	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+H+CF3COOH"	115.000138
"1156408"	151.578601	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+3ACN+2H"	125.094202
"1705961"	310.089685	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+NH4+CF3COOH"	132.026685
"1647078"	315.04508	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+Na+CF3COOH"	136.98208
"1578355"	331.01902	"C20327"	"2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutanoate"	"C10H10O3"	"178.063"	"M+K+CF3COOH"	152.95602
"805442"	221.0899	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M"	0
"984443"	202.07151	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"71591"	146.385990666667	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"510063"	220.082624	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"888958"	72.6893573333333	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"1818"	220.082624	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"443812"	330.627574	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"821616"	109.537674	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"85984"	441.172524	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"524451"	662.262424	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"901522"	220.082624	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"53712"	458.199071	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"495094"	679.288971	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"876664"	237.109171	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"41890"	463.154466	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"473795"	684.244366	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"851600"	242.064566	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1626602"	242.064566	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"95113"	238.070963	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"536132"	348.615913	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"928185"	127.526013	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"267837"	477.149202	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"663903"	698.239102	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1274120"	256.059302	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"17523"	479.128406	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"458419"	700.218306	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"834035"	258.038506	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1559722"	258.038506	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"949792"	266.088094	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"363633"	487.178001	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"348610"	501.193651	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1500725"	280.103751	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"969360"	288.070051	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"125086"	256.059302	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"565212"	366.604252	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1036477"	145.514352	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1250586"	300.008785	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1317407"	302.064772	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1331988"	324.046729	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"918307"	334.075486	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1297934"	370.052164	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1376459"	186.077224	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1385206"	204.0872	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"289268"	443.187076	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"686429"	664.276976	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1363147"	222.097176	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"140290"	222.097176	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"571588"	332.642126	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1044762"	111.552226	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"215943"	148.400542666667	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"656601"	222.097176	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1174000"	74.7039093333333	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"428158"	460.213623	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"790248"	681.303523	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1686579"	239.123723	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"339231"	230.6104495	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"729464"	341.1553995	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1483285"	120.0654995	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"401966"	465.169018	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"761868"	686.258918	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1604132"	244.079118	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"317816"	233.088147	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"712424"	343.633097	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1462965"	122.543197	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1054751"	82.0312233333333	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1259344"	254.123386	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"380106"	481.142958	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"739148"	702.232858	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1546080"	260.053058	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"301795"	241.075117	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"692874"	351.620067	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1448763"	130.530167	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"236508"	484.213626	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1211166"	263.123726	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1197968"	132.065501	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"191934"	487.15096	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"633320"	708.24086	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1139379"	266.06106	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"181579"	244.079118	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"620775"	354.624068	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1122457"	133.534168	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1403795"	89.3585373333333	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1434816"	268.102646	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"224513"	249.11214	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1511116"	282.15469	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"409460"	252.066088	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"776537"	362.611038	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1667397"	141.521138	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"257203"	506.195568	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1229181"	285.105668	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1714418"	285.129193	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1179204"	96.6858513333333	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1651245"	290.084588	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"157188"	519.09884	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"598281"	740.18874	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1085340"	298.00894	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"143982"	260.053058	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"582449"	370.598008	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1069875"	149.508108	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1101629"	300.023492	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1335860"	300.111107	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1009464"	304.150276	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1527587"	305.143908	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"992942"	152.578776	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1595102"	306.058528	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1416021"	336.090038	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1156518"	173.092051	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1706071"	353.116585	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1646095"	358.07198	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1578465"	374.04592	"C20328"	"N-Acetyl-alpha-D-glucosamine"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"808832"	304.2402	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M"	0
"983460"	285.22181	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-H2O-H"	-19.01839
"76075"	201.819524	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M-3H"	-3.021828
"513454"	303.232924	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M-3H"	-3.021828
"891255"	100.406124	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-3H"	-3.021828
"3268"	303.232924	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M-2H"	-2.014552
"447203"	455.353024	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M-2H"	-2.014552
"832500"	151.112824	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-2H"	-2.014552
"94042"	607.473124	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M-H"	-1.007276
"531122"	911.713324	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M-H"	-1.007276
"904549"	303.232924	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-H"	-1.007276
"60021"	624.499671	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M-2H+NH4"	16.019271
"501889"	928.739871	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M-2H+NH4"	16.019271
"877380"	320.259471	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-2H+NH4"	16.019271
"46137"	629.455066	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M-2H+Na"	20.974666
"481562"	933.695266	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M-2H+Na"	20.974666
"856085"	325.214866	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-2H+Na"	20.974666
"1630722"	325.214866	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Na-2H"	20.974666
"98139"	321.221263	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M-H+Cl"	33.962126
"543896"	473.341363	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M-H+Cl"	33.962126
"936317"	169.101163	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-H+Cl"	33.962126
"275966"	643.449802	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+Cl"	34.969402
"666200"	947.690002	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+Cl"	34.969402
"1279698"	339.209602	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Cl"	34.969402
"18243"	645.429006	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M-2H+K"	36.948606
"457801"	949.669206	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M-2H+K"	36.948606
"833905"	341.188806	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-2H+K"	36.948606
"1560926"	341.188806	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+K-2H"	36.948606
"950996"	349.238394	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-H+HCOOH"	44.998194
"364836"	653.478601	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+HCOOH-H"	44.998201
"348720"	667.494251	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+Hac-H"	59.013851
"1498649"	363.254051	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Hac-H"	59.013851
"970929"	371.220351	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-H+NaCOOH"	66.980151
"123859"	339.209602	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+2Cl"	69.938804
"564756"	491.329702	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+2Cl"	69.938804
"1035864"	187.089502	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2Cl"	69.938804
"1255070"	383.159085	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Br"	78.918885
"1318493"	385.215072	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Cl+HCOOH"	80.974872
"1333557"	407.197029	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Cl+NaCOOH"	102.956829
"923886"	417.225786	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M-H+CF3COOH"	112.985586
"1299138"	453.202464	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Cl+CF3COOH"	148.962264
"1375476"	269.227524	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H-2H2O"	-35.012676
"1386409"	287.2375	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H-H2O"	-17.0027
"286098"	609.487676	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+H"	1.007276
"682893"	913.727876	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+H"	1.007276
"1361428"	305.247476	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H"	1.007276
"137967"	305.247476	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+2H"	2.014552
"577165"	457.367576	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+2H"	2.014552
"1049977"	153.127376	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2H"	2.014552
"216053"	203.834076	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+3H"	3.021828
"655618"	305.247476	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+3H"	3.021828
"1174111"	102.420676	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+3H"	3.021828
"432643"	626.514223	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+NH4"	18.033823
"790358"	930.754423	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+NH4"	18.033823
"1684502"	322.274023	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+NH4"	18.033823
"339341"	313.7607495	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+H+NH4"	19.041099
"729574"	465.8808495	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+H+NH4"	19.041099
"1484488"	161.6406495	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H+NH4"	19.041099
"403169"	631.469618	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+Na"	22.989218
"763071"	935.709818	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+Na"	22.989218
"1603391"	327.229418	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Na"	22.989218
"321206"	316.238447	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+H+Na"	23.996494
"712534"	468.358547	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+H+Na"	23.996494
"1466355"	164.118347	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H+Na"	23.996494
"1057413"	109.74799	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2H+Na"	25.00377
"1262370"	337.273686	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+CH3OH+H"	33.033486
"382040"	647.443558	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+K"	38.963158
"740482"	951.683758	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+K"	38.963158
"1542536"	343.203358	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+K"	38.963158
"300930"	324.225417	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+H+K"	39.970434
"692863"	476.345517	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+H+K"	39.970434
"1449237"	172.105317	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H+K"	39.970434
"237838"	650.514226	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+ACN+H"	42.033826
"1210299"	346.274026	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+ACN+H"	42.033826
"1197347"	173.640651	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+ACN+2H"	43.041102
"190339"	653.45156	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+2Na-H"	44.97116
"631603"	957.69176	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+2Na-H"	44.97116
"1135112"	349.21136	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2Na-H"	44.97116
"182782"	327.229418	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+2Na"	45.978436
"621614"	479.349518	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+2Na"	45.978436
"1123660"	175.109318	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2Na"	45.978436
"1405001"	117.075304	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H+2Na"	46.985712
"1436385"	351.252946	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H+HCOOH"	47.012746
"222800"	332.26244	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+3H2O+2H"	56.04448
"1512320"	365.30499	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+IsoProp+H"	61.06479
"413098"	335.216388	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+Na+K"	61.952376
"775551"	487.336488	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+Na+K"	61.952376
"1668601"	183.096288	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Na+K"	61.952376
"253663"	672.496168	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+ACN+Na"	64.015768
"1230746"	368.255968	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+ACN+Na"	64.015768
"1715621"	368.279493	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+NH4+HCOOH"	64.039293
"1181343"	124.402618	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+3Na"	68.967654
"1650303"	373.234888	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Na+HCOOH"	68.994688
"158462"	685.39944	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+2K-H"	76.91904
"598510"	989.63964	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+2K-H"	76.91904
"1084757"	381.15924	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2K-H"	76.91904
"144092"	343.203358	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"2M+2K"	77.926316
"582561"	495.323458	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"3M+2K"	77.926316
"1069619"	191.083258	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2K"	77.926316
"1104656"	383.173792	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2K+H"	78.933592
"1336421"	383.261407	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+DMSO+H"	79.021207
"1010665"	387.300576	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2ACN+H"	83.060376
"1528790"	388.294208	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+IsoProp+Na+H"	84.054008
"993052"	194.153926	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+2ACN+2H"	84.067652
"1591931"	389.208828	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+K+HCOOH"	84.968628
"1415279"	419.240338	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+H+CF3COOH"	115.000138
"1149335"	214.667201	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+3ACN+2H"	125.094202
"1705085"	436.266885	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+NH4+CF3COOH"	132.026685
"1644018"	441.22228	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+Na+CF3COOH"	136.98208
"1579668"	457.19622	"C20329"	"Abieta-713-dien-1818-diol"	"C20H32O2"	"304.2402"	"M+K+CF3COOH"	152.95602
"805662"	190.1066	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M"	0
"983570"	171.08821	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-H2O-H"	-19.01839
"76185"	125.730457333333	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M-3H"	-3.021828
"514657"	189.099324	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M-3H"	-3.021828
"891365"	62.3615906666667	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-3H"	-3.021828
"2285"	189.099324	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M-2H"	-2.014552
"447313"	284.152624	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M-2H"	-2.014552
"826209"	94.046024	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-2H"	-2.014552
"88389"	379.205924	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M-H"	-1.007276
"530137"	569.312524	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M-H"	-1.007276
"906845"	189.099324	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-H"	-1.007276
"62833"	396.232471	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M-2H+NH4"	16.019271
"501874"	586.339071	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M-2H+NH4"	16.019271
"878829"	206.125871	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-2H+NH4"	16.019271
"46855"	401.187866	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M-2H+Na"	20.974666
"481672"	591.294466	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M-2H+Na"	20.974666
"858382"	211.081266	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-2H+Na"	20.974666
"1632898"	211.081266	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Na-2H"	20.974666
"106633"	207.087663	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M-H+Cl"	33.962126
"548989"	302.140963	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M-H+Cl"	33.962126
"939707"	112.034363	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-H+Cl"	33.962126
"276076"	415.182602	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+Cl"	34.969402
"668497"	605.289202	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+Cl"	34.969402
"1276528"	225.076002	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Cl"	34.969402
"21269"	417.161806	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M-2H+K"	36.948606
"457913"	607.268406	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M-2H+K"	36.948606
"833651"	227.055206	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-2H+K"	36.948606
"1567598"	227.055206	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+K-2H"	36.948606
"952201"	235.104794	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-H+HCOOH"	44.998194
"370415"	425.211401	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+HCOOH-H"	44.998201
"351018"	439.227051	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+Hac-H"	59.013851
"1505319"	249.120451	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Hac-H"	59.013851
"972497"	257.086751	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-H+NaCOOH"	66.980151
"123968"	225.076002	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+2Cl"	69.938804
"564622"	320.129302	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+2Cl"	69.938804
"1036223"	130.022702	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2Cl"	69.938804
"1256281"	269.025485	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Br"	78.918885
"1318364"	271.081472	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Cl+HCOOH"	80.974872
"1334766"	293.063429	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Cl+NaCOOH"	102.956829
"925095"	303.092186	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M-H+CF3COOH"	112.985586
"1298154"	339.068864	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Cl+CF3COOH"	148.962264
"1377409"	155.093924	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H-2H2O"	-35.012676
"1390895"	173.1039	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H-H2O"	-17.0027
"294592"	381.220476	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+H"	1.007276
"687746"	571.327076	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+H"	1.007276
"1360445"	191.113876	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H"	1.007276
"139173"	191.113876	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+2H"	2.014552
"577641"	286.167176	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+2H"	2.014552
"1047169"	96.060576	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2H"	2.014552
"215799"	127.745009333333	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+3H"	3.021828
"655364"	191.113876	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+3H"	3.021828
"1173857"	64.3761426666667	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+3H"	3.021828
"429473"	398.247023	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+NH4"	18.033823
"790469"	588.353623	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+NH4"	18.033823
"1686799"	208.140423	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+NH4"	18.033823
"339451"	199.6271495	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+H+NH4"	19.041099
"728591"	294.6804495	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+H+NH4"	19.041099
"1485692"	104.5738495	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H+NH4"	19.041099
"404008"	403.202418	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+Na"	22.989218
"763181"	593.309018	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+Na"	22.989218
"1606905"	213.095818	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Na"	22.989218
"325690"	202.104847	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+H+Na"	23.996494
"717018"	297.158147	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+H+Na"	23.996494
"1471932"	107.051547	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H+Na"	23.996494
"1059710"	71.7034566666667	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2H+Na"	25.00377
"1263574"	223.140086	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+CH3OH+H"	33.033486
"384336"	419.176358	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+K"	38.963158
"743509"	609.282958	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+K"	38.963158
"1546294"	229.069758	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+K"	38.963158
"302746"	210.091817	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+H+K"	39.970434
"696621"	305.145117	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+H+K"	39.970434
"1447526"	115.038517	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H+K"	39.970434
"236490"	422.247026	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+H"	42.033826
"1212116"	232.140426	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+ACN+H"	42.033826
"1194540"	116.573851	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+ACN+2H"	43.041102
"189352"	425.18436	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+2Na-H"	44.97116
"632079"	615.29096	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+2Na-H"	44.97116
"1135222"	235.07776	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2Na-H"	44.97116
"185078"	213.095818	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+2Na"	45.978436
"624638"	308.149118	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+2Na"	45.978436
"1127050"	118.042518	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2Na"	45.978436
"1409119"	79.0307706666667	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H+2Na"	46.985712
"1440504"	237.119346	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H+HCOOH"	47.012746
"230930"	218.12884	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+3H2O+2H"	56.04448
"1516075"	251.17139	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+H"	61.06479
"415761"	221.082788	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+Na+K"	61.952376
"780037"	316.136088	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+Na+K"	61.952376
"1671627"	126.029488	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Na+K"	61.952376
"258514"	444.228968	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+ACN+Na"	64.015768
"1233409"	254.122368	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+ACN+Na"	64.015768
"1720110"	254.145893	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+NH4+HCOOH"	64.039293
"1187650"	86.3580846666667	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+3Na"	68.967654
"1655358"	259.101288	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Na+HCOOH"	68.994688
"164404"	457.13224	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+2K-H"	76.91904
"598743"	647.23884	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+2K-H"	76.91904
"1087386"	267.02564	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2K-H"	76.91904
"145297"	229.069758	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"2M+2K"	77.926316
"582182"	324.123058	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"3M+2K"	77.926316
"1072649"	134.016458	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2K"	77.926316
"1100139"	269.040192	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2K+H"	78.933592
"1335792"	269.127807	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+DMSO+H"	79.021207
"1006152"	273.166976	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+H"	83.060376
"1524887"	274.160608	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+IsoProp+Na+H"	84.054008
"990359"	137.087126	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+2ACN+2H"	84.067652
"1589852"	275.075228	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+K+HCOOH"	84.968628
"1414293"	305.106738	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+H+CF3COOH"	115.000138
"1147987"	157.600401	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+3ACN+2H"	125.094202
"1700820"	322.133285	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+NH4+CF3COOH"	132.026685
"1644128"	327.08868	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+Na+CF3COOH"	136.98208
"1579778"	343.06262	"C20330"	"L-Hydroxyarginine;delta-Hydroxyarginine"	"C6H14N4O3"	"190.1066"	"M+K+CF3COOH"	152.95602
"805772"	552.4331	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M"	0
"981493"	533.41471	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-H2O-H"	-19.01839
"73017"	367.281457333333	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M-3H"	-3.021828
"514767"	551.425824	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M-3H"	-3.021828
"893663"	183.137090666667	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-3H"	-3.021828
"3486"	551.425824	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M-2H"	-2.014552
"450704"	827.642374	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M-2H"	-2.014552
"828506"	275.209274	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-2H"	-2.014552
"88499"	1103.858924	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M-H"	-1.007276
"532434"	1656.292024	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M-H"	-1.007276
"904769"	551.425824	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-H"	-1.007276
"59145"	1120.885471	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M-2H+NH4"	16.019271
"495425"	1673.318571	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M-2H+NH4"	16.019271
"874321"	568.452371	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-2H+NH4"	16.019271
"41128"	1125.840866	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M-2H+Na"	20.974666
"479595"	1678.273966	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M-2H+Na"	20.974666
"851566"	573.407766	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-2H+Na"	20.974666
"1631307"	573.407766	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Na-2H"	20.974666
"97267"	569.414163	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M-H+Cl"	33.962126
"536463"	845.630713	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M-H+Cl"	33.962126
"929976"	293.197613	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-H+Cl"	33.962126
"278374"	1139.835602	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+Cl"	34.969402
"668607"	1692.268702	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+Cl"	34.969402
"1274452"	587.402502	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Cl"	34.969402
"20287"	1141.814806	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M-2H+K"	36.948606
"456687"	1694.247906	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M-2H+K"	36.948606
"832905"	589.381706	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-2H+K"	36.948606
"1565522"	589.381706	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+K-2H"	36.948606
"950123"	597.431294	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-H+HCOOH"	44.998194
"368337"	1149.864401	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+HCOOH-H"	44.998201
"354408"	1163.880051	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+Hac-H"	59.013851
"1504336"	611.446951	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Hac-H"	59.013851
"973459"	619.413251	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-H+NaCOOH"	66.980151
"124442"	587.402502	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+2Cl"	69.938804
"564732"	863.619052	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+2Cl"	69.938804
"1036982"	311.185952	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2Cl"	69.938804
"1256759"	631.351985	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Br"	78.918885
"1318473"	633.407972	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Cl+HCOOH"	80.974872
"1335242"	655.389929	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Cl+NaCOOH"	102.956829
"925935"	665.418686	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M-H+CF3COOH"	112.985586
"1298264"	701.395364	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Cl+CF3COOH"	148.962264
"1380802"	517.420424	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H-2H2O"	-35.012676
"1393922"	535.4304	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H-H2O"	-17.0027
"294708"	1105.873476	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+H"	1.007276
"685304"	1658.306576	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+H"	1.007276
"1364936"	553.440376	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H"	1.007276
"140869"	553.440376	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+2H"	2.014552
"580427"	829.656926	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+2H"	2.014552
"1046914"	277.223826	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2H"	2.014552
"216273"	369.296009333333	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+3H"	3.021828
"656569"	553.440376	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+3H"	3.021828
"1175424"	185.151642666667	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+3H"	3.021828
"429583"	1122.900023	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+NH4"	18.033823
"790579"	1675.333123	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+NH4"	18.033823
"1686910"	570.466923	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+NH4"	18.033823
"339562"	561.9536495	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+H+NH4"	19.041099
"734900"	838.1701995	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+H+NH4"	19.041099
"1489813"	285.7370995	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H+NH4"	19.041099
"401205"	1127.855418	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+Na"	22.989218
"762199"	1680.288518	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+Na"	22.989218
"1614672"	575.422318	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Na"	22.989218
"326896"	564.431347	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+H+Na"	23.996494
"718223"	840.647897	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+H+Na"	23.996494
"1472042"	288.214797	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H+Na"	23.996494
"1059821"	192.478956666667	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2H+Na"	25.00377
"1265873"	585.466586	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+CH3OH+H"	33.033486
"386635"	1143.829358	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+K"	38.963158
"745447"	1696.262458	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+K"	38.963158
"1545315"	591.396258	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+K"	38.963158
"302856"	572.418317	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+H+K"	39.970434
"695275"	848.634867	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+H+K"	39.970434
"1448001"	296.201767	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H+K"	39.970434
"236966"	1146.900026	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+ACN+H"	42.033826
"1210279"	594.466926	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+ACN+H"	42.033826
"1196110"	297.737101	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+ACN+2H"	43.041102
"190074"	1149.83736	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+2Na-H"	44.97116
"630371"	1702.27046	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+2Na-H"	44.97116
"1136428"	597.40426	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2Na-H"	44.97116
"184826"	575.422318	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+2Na"	45.978436
"623655"	851.638868	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+2Na"	45.978436
"1122791"	299.205768	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2Na"	45.978436
"1403032"	199.806270666667	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H+2Na"	46.985712
"1439522"	599.445846	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H+HCOOH"	47.012746
"228123"	580.45534	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+3H2O+2H"	56.04448
"1512540"	613.49789	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+IsoProp+H"	61.06479
"415872"	583.409288	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+Na+K"	61.952376
"777961"	859.625838	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+Na+K"	61.952376
"1672104"	307.192738	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Na+K"	61.952376
"260811"	1168.881968	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+ACN+Na"	64.015768
"1232426"	616.448868	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+ACN+Na"	64.015768
"1723500"	616.472393	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+NH4+HCOOH"	64.039293
"1186667"	207.133584666667	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+3Na"	68.967654
"1658748"	621.427788	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Na+HCOOH"	68.994688
"163421"	1181.78524	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+2K-H"	76.91904
"598611"	1734.21834	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+2K-H"	76.91904
"1087860"	629.35214	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2K-H"	76.91904
"145407"	591.396258	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"2M+2K"	77.926316
"583874"	867.612808	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"3M+2K"	77.926316
"1072760"	315.179708	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2K"	77.926316
"1103782"	631.366692	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2K+H"	78.933592
"1337980"	631.454307	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+DMSO+H"	79.021207
"1007115"	635.493476	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2ACN+H"	83.060376
"1525483"	636.487108	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+IsoProp+Na+H"	84.054008
"992178"	318.250376	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+2ACN+2H"	84.067652
"1593244"	637.401728	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+K+HCOOH"	84.968628
"1414649"	667.433238	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+H+CF3COOH"	115.000138
"1154658"	338.763651	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+3ACN+2H"	125.094202
"1704212"	684.459785	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+NH4+CF3COOH"	132.026685
"1636581"	689.41518	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+Na+CF3COOH"	136.98208
"1571866"	705.38912	"C20331"	"beta-Carotene-1515-epoxide"	"C40H56O"	"552.4331"	"M+K+CF3COOH"	152.95602
"814998"	570.4437	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M"	0
"978325"	551.42531	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-H2O-H"	-19.01839
"69847"	379.288524	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M-3H"	-3.021828
"509408"	569.436424	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M-3H"	-3.021828
"887210"	189.140624	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-3H"	-3.021828
"7974"	569.436424	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M-2H"	-2.014552
"447534"	854.658274	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M-2H"	-2.014552
"826429"	284.214574	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-2H"	-2.014552
"83140"	1139.880124	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M-H"	-1.007276
"530360"	1710.323824	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M-H"	-1.007276
"908769"	569.436424	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-H"	-1.007276
"58161"	1156.906671	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M-2H+NH4"	16.019271
"497721"	1727.350371	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M-2H+NH4"	16.019271
"876254"	586.462971	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-2H+NH4"	16.019271
"45006"	1161.862066	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M-2H+Na"	20.974666
"474968"	1732.305766	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M-2H+Na"	20.974666
"857510"	591.418366	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-2H+Na"	20.974666
"1622671"	591.418366	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Na-2H"	20.974666
"96282"	587.424763	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M-H+Cl"	33.962126
"539852"	872.646613	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M-H+Cl"	33.962126
"930085"	302.202913	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-H+Cl"	33.962126
"279822"	1175.856802	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+Cl"	34.969402
"670905"	1746.300502	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+Cl"	34.969402
"1278933"	605.413102	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Cl"	34.969402
"17842"	1177.836006	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M-2H+K"	36.948606
"464329"	1748.279706	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M-2H+K"	36.948606
"833301"	607.392306	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-2H+K"	36.948606
"1561256"	607.392306	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+K-2H"	36.948606
"949137"	615.441894	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-H+HCOOH"	44.998194
"369540"	1185.885601	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+HCOOH-H"	44.998201
"352331"	1199.901251	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+Hac-H"	59.013851
"1504446"	629.457551	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Hac-H"	59.013851
"971259"	637.423851	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-H+NaCOOH"	66.980151
"124914"	605.413102	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+2Cl"	69.938804
"565441"	890.634952	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+2Cl"	69.938804
"1037008"	320.191252	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2Cl"	69.938804
"1256137"	649.362585	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Br"	78.918885
"1318946"	651.418572	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Cl+HCOOH"	80.974872
"1334619"	673.400529	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Cl+NaCOOH"	102.956829
"926649"	683.429286	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M-H+CF3COOH"	112.985586
"1297646"	719.405964	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Cl+CF3COOH"	148.962264
"1377264"	535.431024	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H-2H2O"	-35.012676
"1391115"	553.441	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H-H2O"	-17.0027
"291895"	1141.894676	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+H"	1.007276
"689056"	1712.338376	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+H"	1.007276
"1364313"	571.450976	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H"	1.007276
"138666"	571.450976	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+2H"	2.014552
"577862"	856.672826	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+2H"	2.014552
"1043013"	286.229126	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2H"	2.014552
"212738"	381.303076	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+3H"	3.021828
"655219"	571.450976	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+3H"	3.021828
"1173346"	191.155176	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+3H"	3.021828
"431879"	1158.921223	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+NH4"	18.033823
"792876"	1729.364923	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+NH4"	18.033823
"1683740"	588.477523	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+NH4"	18.033823
"338579"	579.9642495	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+H+NH4"	19.041099
"734281"	865.1860995	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+H+NH4"	19.041099
"1484820"	294.7423995	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H+NH4"	19.041099
"402406"	1163.876618	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+Na"	22.989218
"765225"	1734.320318	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+Na"	22.989218
"1616241"	593.432918	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Na"	22.989218
"325911"	582.441947	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+H+Na"	23.996494
"715051"	867.663797	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+H+Na"	23.996494
"1467778"	297.220097	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H+Na"	23.996494
"1062117"	198.48249	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2H+Na"	25.00377
"1263795"	603.477186	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+CH3OH+H"	33.033486
"384559"	1179.850558	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+K"	38.963158
"742277"	1750.294258	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+K"	38.963158
"1540322"	609.406858	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+K"	38.963158
"299684"	590.428917	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+H+K"	39.970434
"693928"	875.650767	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+H+K"	39.970434
"1446287"	305.207067	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H+K"	39.970434
"235830"	1182.921226	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+ACN+H"	42.033826
"1211244"	612.477526	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+ACN+H"	42.033826
"1194394"	306.742401	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+ACN+2H"	43.041102
"189206"	1185.85856	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+2Na-H"	44.97116
"634126"	1756.30226	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+2Na-H"	44.97116
"1136538"	615.41486	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2Na-H"	44.97116
"183112"	593.432918	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+2Na"	45.978436
"621578"	878.654768	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+2Na"	45.978436
"1121807"	308.211068	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2Na"	45.978436
"1402049"	205.809804	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H+2Na"	46.985712
"1436352"	617.456446	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H+HCOOH"	47.012746
"226046"	598.46594	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+3H2O+2H"	56.04448
"1509734"	631.50849	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+IsoProp+H"	61.06479
"415982"	601.419888	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+Na+K"	61.952376
"776978"	886.641738	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+Na+K"	61.952376
"1676588"	316.198038	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Na+K"	61.952376
"259828"	1204.903168	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+ACN+Na"	64.015768
"1233629"	634.459468	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+ACN+Na"	64.015768
"1723610"	634.482993	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+NH4+HCOOH"	64.039293
"1190058"	213.137118	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+3Na"	68.967654
"1657765"	639.438388	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Na+HCOOH"	68.994688
"164627"	1217.80644	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+2K-H"	76.91904
"600179"	1788.25014	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+2K-H"	76.91904
"1091982"	647.36274	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2K-H"	76.91904
"147706"	609.406858	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"2M+2K"	77.926316
"584712"	894.628708	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"3M+2K"	77.926316
"1070682"	324.185008	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2K"	77.926316
"1102797"	649.377292	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2K+H"	78.933592
"1336997"	649.464907	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+DMSO+H"	79.021207
"1010995"	653.504076	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2ACN+H"	83.060376
"1531308"	654.497708	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+IsoProp+Na+H"	84.054008
"993747"	327.255676	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+2ACN+2H"	84.067652
"1597729"	655.412328	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+K+HCOOH"	84.968628
"1426667"	685.443838	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+H+CF3COOH"	115.000138
"1153678"	347.768951	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+3ACN+2H"	125.094202
"1702135"	702.470385	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+NH4+CF3COOH"	132.026685
"1635599"	707.42578	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+Na+CF3COOH"	136.98208
"1573437"	723.39972	"C20332"	"1515-Dihydroxy-beta-carotene"	"C40H58O2"	"570.4437"	"M+K+CF3COOH"	152.95602
"811460"	378.1274	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M"	0
"979525"	359.10901	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-H2O-H"	-19.01839
"72145"	251.077657333333	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M-3H"	-3.021828
"510613"	377.120124	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M-3H"	-3.021828
"888415"	125.035190666667	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-3H"	-3.021828
"5896"	377.120124	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M-2H"	-2.014552
"447644"	566.183824	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M-2H"	-2.014552
"822164"	188.056424	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-2H"	-2.014552
"81062"	755.247524	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M-H"	-1.007276
"529377"	1133.374924	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M-H"	-1.007276
"908760"	377.120124	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-H"	-1.007276
"57178"	772.274071	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M-2H+NH4"	16.019271
"498925"	1150.401471	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M-2H+NH4"	16.019271
"876363"	394.146671	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-2H+NH4"	16.019271
"44265"	777.229466	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M-2H+Na"	20.974666
"475443"	1155.356866	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M-2H+Na"	20.974666
"857621"	399.102066	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-2H+Na"	20.974666
"1619501"	399.102066	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Na-2H"	20.974666
"94608"	395.108463	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M-H+Cl"	33.962126
"544336"	584.172163	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M-H+Cl"	33.962126
"929102"	206.044763	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-H+Cl"	33.962126
"278595"	791.224202	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+Cl"	34.969402
"673201"	1169.351602	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+Cl"	34.969402
"1281230"	413.096802	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Cl"	34.969402
"21598"	793.203406	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M-2H+K"	36.948606
"456295"	1171.330806	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M-2H+K"	36.948606
"833284"	415.076006	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-2H+K"	36.948606
"1559179"	415.076006	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+K-2H"	36.948606
"953622"	423.125594	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-H+HCOOH"	44.998194
"372567"	801.253001	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+HCOOH-H"	44.998201
"351347"	815.268651	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+Hac-H"	59.013851
"1504192"	437.141251	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Hac-H"	59.013851
"968816"	445.107551	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-H+NaCOOH"	66.980151
"123929"	413.096802	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+2Cl"	69.938804
"564942"	602.160502	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+2Cl"	69.938804
"1035570"	224.033102	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2Cl"	69.938804
"1255757"	457.046285	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Br"	78.918885
"1317957"	459.102272	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Cl+HCOOH"	80.974872
"1333270"	481.084229	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Cl+NaCOOH"	102.956829
"925420"	491.112986	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M-H+CF3COOH"	112.985586
"1299579"	527.089664	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Cl+CF3COOH"	148.962264
"1377009"	343.114724	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H-2H2O"	-35.012676
"1391225"	361.1247	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H-H2O"	-17.0027
"292005"	757.262076	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+H"	1.007276
"689895"	1135.389476	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+H"	1.007276
"1364785"	379.134676	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H"	1.007276
"139141"	379.134676	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+2H"	2.014552
"578336"	568.198376	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+2H"	2.014552
"1042027"	190.070976	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2H"	2.014552
"208837"	253.092209333333	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+3H"	3.021828
"654600"	379.134676	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+3H"	3.021828
"1169811"	127.049742666667	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+3H"	3.021828
"428710"	774.288623	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+NH4"	18.033823
"787520"	1152.416023	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+NH4"	18.033823
"1687131"	396.161223	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+NH4"	18.033823
"337596"	387.6479495	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+H+NH4"	19.041099
"734027"	576.7116495	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+H+NH4"	19.041099
"1484930"	198.5842495	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H+NH4"	19.041099
"403609"	779.244018	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+Na"	22.989218
"764240"	1157.371418	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+Na"	22.989218
"1616352"	401.116618	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Na"	22.989218
"327843"	390.125647	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+H+Na"	23.996494
"718441"	579.189347	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+H+Na"	23.996494
"1468980"	201.061947	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H+Na"	23.996494
"1062227"	134.377056666667	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2H+Na"	25.00377
"1266091"	411.160886	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+CH3OH+H"	33.033486
"387950"	795.217958	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+K"	38.963158
"743479"	1173.345358	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+K"	38.963158
"1541526"	417.090558	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+K"	38.963158
"302709"	398.112617	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+H+K"	39.970434
"694038"	587.176317	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+H+K"	39.970434
"1446397"	209.048917	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H+K"	39.970434
"235705"	798.288626	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+ACN+H"	42.033826
"1212812"	420.161226	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+ACN+H"	42.033826
"1195596"	210.584251	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+ACN+2H"	43.041102
"189802"	801.22596	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+2Na-H"	44.97116
"633143"	1179.35336	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+2Na-H"	44.97116
"1136648"	423.09856	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2Na-H"	44.97116
"182129"	401.116618	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+2Na"	45.978436
"623876"	590.180318	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+2Na"	45.978436
"1124104"	212.052918	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2Na"	45.978436
"1403252"	141.704370666667	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H+2Na"	46.985712
"1438648"	425.140146	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H+HCOOH"	47.012746
"227250"	406.14964	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+3H2O+2H"	56.04448
"1514219"	439.19219	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+IsoProp+H"	61.06479
"419007"	409.103588	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+Na+K"	61.952376
"780367"	598.167288	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+Na+K"	61.952376
"1675606"	220.039888	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Na+K"	61.952376
"259938"	820.270568	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+ACN+Na"	64.015768
"1231553"	442.143168	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+ACN+Na"	64.015768
"1720439"	442.166693	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+NH4+HCOOH"	64.039293
"1190168"	149.031684666667	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+3Na"	68.967654
"1655688"	447.122088	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Na+HCOOH"	68.994688
"166922"	833.17384	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+2K-H"	76.91904
"601018"	1211.30124	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+2K-H"	76.91904
"1093186"	455.04644	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2K-H"	76.91904
"148910"	417.090558	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"2M+2K"	77.926316
"583729"	606.154258	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"3M+2K"	77.926316
"1072980"	228.026858	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2K"	77.926316
"1102908"	457.060992	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2K+H"	78.933592
"1340387"	457.148607	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+DMSO+H"	79.021207
"1006484"	461.187776	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2ACN+H"	83.060376
"1525584"	462.181408	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+IsoProp+Na+H"	84.054008
"995678"	231.097526	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+2ACN+2H"	84.067652
"1595651"	463.096028	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+K+HCOOH"	84.968628
"1423498"	493.127538	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+H+CF3COOH"	115.000138
"1154881"	251.610801	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+3ACN+2H"	125.094202
"1698965"	510.154085	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+NH4+CF3COOH"	132.026685
"1635708"	515.10948	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+Na+CF3COOH"	136.98208
"1573547"	531.08342	"C20333"	"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine;N2-Citryl-N6-acetyl-N6-hydroxylysine"	"C14H22N2O10"	"378.1274"	"M+K+CF3COOH"	152.95602
"811570"	134.0943	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M"	0
"979635"	115.07591	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-H2O-H"	-19.01839
"75534"	88.388924	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M-3H"	-3.021828
"515094"	133.087024	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M-3H"	-3.021828
"889617"	43.690824	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-3H"	-3.021828
"6006"	133.087024	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M-2H"	-2.014552
"452128"	200.134174	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M-2H"	-2.014552
"824461"	66.039874	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-2H"	-2.014552
"83360"	267.181324	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M-H"	-1.007276
"533140"	401.275624	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M-H"	-1.007276
"910455"	133.087024	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-H"	-1.007276
"62600"	284.207871	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M-2H+NH4"	16.019271
"502482"	418.302171	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M-2H+NH4"	16.019271
"879703"	150.113571	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-2H+NH4"	16.019271
"46853"	289.163266	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M-2H+Na"	20.974666
"477740"	423.257566	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M-2H+Na"	20.974666
"859917"	155.068966	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-2H+Na"	20.974666
"1630545"	155.068966	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Na-2H"	20.974666
"97232"	151.075363	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M-H+Cl"	33.962126
"547362"	218.122513	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M-H+Cl"	33.962126
"931400"	84.028213	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-H+Cl"	33.962126
"280528"	303.158002	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+Cl"	34.969402
"673313"	437.252302	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+Cl"	34.969402
"1284620"	169.063702	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Cl"	34.969402
"21708"	305.137206	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M-2H+K"	36.948606
"459080"	439.231506	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M-2H+K"	36.948606
"839070"	171.042906	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-2H+K"	36.948606
"1562569"	171.042906	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+K-2H"	36.948606
"949358"	179.092494	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-H+HCOOH"	44.998194
"369760"	313.186801	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+HCOOH-H"	44.998201
"356924"	327.202451	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+Hac-H"	59.013851
"1507461"	193.108151	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Hac-H"	59.013851
"972450"	201.074451	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-H+NaCOOH"	66.980151
"124410"	169.063702	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+2Cl"	69.938804
"564330"	236.110852	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+2Cl"	69.938804
"1036418"	102.016552	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2Cl"	69.938804
"1256238"	213.013185	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Br"	78.918885
"1319534"	215.069172	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Cl+HCOOH"	80.974872
"1334112"	237.051129	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Cl+NaCOOH"	102.956829
"926630"	247.079886	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M-H+CF3COOH"	112.985586
"1294585"	283.056564	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Cl+CF3COOH"	148.962264
"1379671"	99.081624	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H-2H2O"	-35.012676
"1393522"	117.0916	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H-H2O"	-17.0027
"293209"	269.195876	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+H"	1.007276
"689639"	403.290176	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+H"	1.007276
"1365261"	135.101576	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H"	1.007276
"139609"	135.101576	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+2H"	2.014552
"579893"	202.148726	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+2H"	2.014552
"1048692"	68.054426	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2H"	2.014552
"211131"	90.403476	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+3H"	3.021828
"658235"	135.101576	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+3H"	3.021828
"1175755"	45.705376	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+3H"	3.021828
"436474"	286.222423	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+NH4"	18.033823
"797471"	420.316723	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+NH4"	18.033823
"1689428"	152.128123	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+NH4"	18.033823
"337706"	143.6148495	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+H+NH4"	19.041099
"735230"	210.6619995	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+H+NH4"	19.041099
"1488320"	76.5676995	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H+NH4"	19.041099
"403719"	291.177818	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+Na"	22.989218
"762527"	425.272118	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+Na"	22.989218
"1616704"	157.083518	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Na"	22.989218
"327953"	146.092547	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+H+Na"	23.996494
"718551"	213.139697	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+H+Na"	23.996494
"1467996"	79.045397	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H+Na"	23.996494
"1060150"	53.03269	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2H+Na"	25.00377
"1266202"	167.127786	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+CH3OH+H"	33.033486
"390246"	307.151758	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+K"	38.963158
"750149"	441.246058	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+K"	38.963158
"1546738"	173.057458	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+K"	38.963158
"303914"	154.079517	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+H+K"	39.970434
"698521"	221.126667	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+H+K"	39.970434
"1451247"	87.032367	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H+K"	39.970434
"236933"	310.222426	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+ACN+H"	42.033826
"1218025"	176.128126	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+ACN+H"	42.033826
"1196806"	88.567701	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+ACN+2H"	43.041102
"190040"	313.15976	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+2Na-H"	44.97116
"636533"	447.25406	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+2Na-H"	44.97116
"1140038"	179.06546	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2Na-H"	44.97116
"183332"	157.083518	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+2Na"	45.978436
"625445"	224.130668	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+2Na"	45.978436
"1125308"	90.036368	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2Na"	45.978436
"1406642"	60.360004	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H+2Na"	46.985712
"1441674"	181.107046	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H+HCOOH"	47.012746
"230640"	162.11654	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+3H2O+2H"	56.04448
"1519798"	195.15909	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+IsoProp+H"	61.06479
"419482"	165.070488	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+Na+K"	61.952376
"780477"	232.117638	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+Na+K"	61.952376
"1680089"	98.023338	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Na+K"	61.952376
"264788"	332.204368	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+ACN+Na"	64.015768
"1236037"	198.110068	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+ACN+Na"	64.015768
"1721642"	198.133593	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+NH4+HCOOH"	64.039293
"1193437"	67.687318	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+3Na"	68.967654
"1660172"	203.088988	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Na+HCOOH"	68.994688
"168126"	345.10764	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+2K-H"	76.91904
"608782"	479.20194	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+2K-H"	76.91904
"1091108"	211.01334	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2K-H"	76.91904
"147927"	173.057458	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"2M+2K"	77.926316
"586757"	240.104608	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"3M+2K"	77.926316
"1075278"	106.010308	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2K"	77.926316
"1105205"	213.027892	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2K+H"	78.933592
"1338310"	213.115507	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+DMSO+H"	79.021207
"1007933"	217.154676	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2ACN+H"	83.060376
"1526059"	218.148308	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+IsoProp+Na+H"	84.054008
"993600"	109.080976	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+2ACN+2H"	84.067652
"1595761"	219.062928	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+K+HCOOH"	84.968628
"1424702"	249.094438	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+H+CF3COOH"	115.000138
"1154990"	129.594251	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+3ACN+2H"	125.094202
"1697981"	266.120985	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+NH4+CF3COOH"	132.026685
"1636911"	271.07638	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+Na+CF3COOH"	136.98208
"1573657"	287.05032	"C20334"	"126-Hexanetriol"	"C6H14O3"	"134.0943"	"M+K+CF3COOH"	152.95602
"816421"	90.0681	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M"	0
"986309"	71.04971	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H2O-H"	-19.01839
"72364"	59.038124	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-3H"	-3.021828
"510831"	89.060824	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-3H"	-3.021828
"889728"	29.015424	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-3H"	-3.021828
"12679"	89.060824	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H"	-2.014552
"452239"	134.094874	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H"	-2.014552
"826759"	44.026774	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H"	-2.014552
"82376"	179.128924	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-H"	-1.007276
"533613"	269.197024	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-H"	-1.007276
"911267"	89.060824	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H"	-1.007276
"62685"	196.155471	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H+NH4"	16.019271
"501093"	286.223571	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H+NH4"	16.019271
"878042"	106.087371	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H+NH4"	16.019271
"44122"	201.110866	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H+Na"	20.974666
"483317"	291.178966	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H+Na"	20.974666
"862943"	111.042766	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H+Na"	20.974666
"1629564"	111.042766	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na-2H"	20.974666
"103903"	107.049163	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-H+Cl"	33.962126
"549297"	152.083213	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-H+Cl"	33.962126
"932606"	62.015113	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+Cl"	33.962126
"281856"	215.105602	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Cl"	34.969402
"667956"	305.173702	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+Cl"	34.969402
"1280358"	125.037502	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl"	34.969402
"28380"	217.084806	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M-2H+K"	36.948606
"460285"	307.152906	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M-2H+K"	36.948606
"836993"	127.016706	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-2H+K"	36.948606
"1567053"	127.016706	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K-2H"	36.948606
"947645"	135.066294	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+HCOOH"	44.998194
"369870"	225.134401	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+HCOOH-H"	44.998201
"351567"	239.150051	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Hac-H"	59.013851
"1505869"	149.081951	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Hac-H"	59.013851
"970128"	157.048251	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+NaCOOH"	66.980151
"124153"	125.037502	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2Cl"	69.938804
"564927"	170.071552	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2Cl"	69.938804
"1036889"	80.003452	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2Cl"	69.938804
"1257029"	168.986985	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Br"	78.918885
"1318184"	171.042972	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl+HCOOH"	80.974872
"1333859"	193.024929	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl+NaCOOH"	102.956829
"924547"	203.053686	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M-H+CF3COOH"	112.985586
"1294695"	239.030364	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Cl+CF3COOH"	148.962264
"1381606"	55.055424	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H-2H2O"	-35.012676
"1390352"	73.0654	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H-H2O"	-17.0027
"290038"	181.143476	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H"	1.007276
"686472"	271.211576	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H"	1.007276
"1362454"	91.075376	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H"	1.007276
"138624"	91.075376	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2H"	2.014552
"580374"	136.109426	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2H"	2.014552
"1049537"	46.041326	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2H"	2.014552
"211241"	61.052676	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+3H"	3.021828
"652994"	91.075376	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+3H"	3.021828
"1173679"	31.029976	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+3H"	3.021828
"436584"	198.170023	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+NH4"	18.033823
"797581"	288.238123	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+NH4"	18.033823
"1689538"	108.101923	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+NH4"	18.033823
"337816"	99.5886495	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H+NH4"	19.041099
"734976"	144.6226995	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H+NH4"	19.041099
"1488430"	54.5545995	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+NH4"	19.041099
"405288"	203.125418	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Na"	22.989218
"767011"	293.193518	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+Na"	22.989218
"1609643"	113.057318	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na"	22.989218
"325146"	102.066347	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H+Na"	23.996494
"718661"	147.100397	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H+Na"	23.996494
"1470294"	57.032297	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+Na"	23.996494
"1060259"	38.35729	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2H+Na"	25.00377
"1266310"	123.101586	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+CH3OH+H"	33.033486
"392587"	219.099358	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+K"	38.963158
"750259"	309.167458	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+K"	38.963158
"1546848"	129.031258	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K"	38.963158
"306210"	110.053317	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+H+K"	39.970434
"697538"	155.087367	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+H+K"	39.970434
"1450265"	65.019267	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+K"	39.970434
"245430"	222.170026	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+ACN+H"	42.033826
"1220326"	132.101926	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+ACN+H"	42.033826
"1205303"	66.554601	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+ACN+2H"	43.041102
"200361"	225.10736	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2Na-H"	44.97116
"640655"	315.17546	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2Na-H"	44.97116
"1144893"	135.03926	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2Na-H"	44.97116
"185994"	113.057318	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2Na"	45.978436
"619724"	158.091368	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2Na"	45.978436
"1128331"	68.023268	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2Na"	45.978436
"1408940"	45.684604	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+2Na"	46.985712
"1435589"	137.080846	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+HCOOH"	47.012746
"223098"	118.09034	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+3H2O+2H"	56.04448
"1522093"	151.13289	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+IsoProp+H"	61.06479
"419592"	121.044288	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+Na+K"	61.952376
"779496"	166.078338	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+Na+K"	61.952376
"1679107"	76.010238	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na+K"	61.952376
"264173"	244.151968	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+ACN+Na"	64.015768
"1238342"	154.083868	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+ACN+Na"	64.015768
"1726863"	154.107393	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+NH4+HCOOH"	64.039293
"1191485"	53.011918	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+3Na"	68.967654
"1663563"	159.062788	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na+HCOOH"	68.994688
"167146"	257.05524	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2K-H"	76.91904
"605612"	347.12334	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2K-H"	76.91904
"1093407"	166.98714	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2K-H"	76.91904
"151316"	129.031258	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"2M+2K"	77.926316
"585408"	174.065308	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"3M+2K"	77.926316
"1075388"	83.997208	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2K"	77.926316
"1104224"	169.001692	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2K+H"	78.933592
"1338418"	169.089307	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+DMSO+H"	79.021207
"1008407"	173.128476	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2ACN+H"	83.060376
"1528355"	174.122108	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+IsoProp+Na+H"	84.054008
"1000276"	87.067876	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+2ACN+2H"	84.067652
"1592593"	175.036728	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K+HCOOH"	84.968628
"1420439"	205.068238	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+H+CF3COOH"	115.000138
"1155101"	107.581151	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+3ACN+2H"	125.094202
"1701369"	222.094785	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+NH4+CF3COOH"	132.026685
"1635928"	227.05018	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+Na+CF3COOH"	136.98208
"1573767"	243.02412	"C20335"	"13-Butanediol;13-Butylene glycol"	"C4H10O2"	"90.0681"	"M+K+CF3COOH"	152.95602
"812885"	782.2114	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M"	0
"985323"	763.19301	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-H2O-H"	-19.01839
"67007"	520.466990666667	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M-3H"	-3.021828
"508754"	781.204124	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M-3H"	-3.021828
"884369"	259.729857333333	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-3H"	-3.021828
"12425"	781.204124	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M-2H"	-2.014552
"447975"	1172.309824	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M-2H"	-2.014552
"823589"	390.098424	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-2H"	-2.014552
"83579"	1563.415524	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M-H"	-1.007276
"533887"	2345.626924	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M-H"	-1.007276
"909694"	781.204124	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-H"	-1.007276
"62746"	1580.442071	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M-2H+NH4"	16.019271
"502751"	2362.653471	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M-2H+NH4"	16.019271
"877786"	798.230671	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-2H+NH4"	16.019271
"46705"	1585.397466	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M-2H+Na"	20.974666
"483793"	2367.608866	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M-2H+Na"	20.974666
"862932"	803.186066	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-2H+Na"	20.974666
"1628581"	803.186066	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Na-2H"	20.974666
"107293"	799.192463	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M-H+Cl"	33.962126
"549900"	1190.298163	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M-H+Cl"	33.962126
"935996"	408.086763	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-H+Cl"	33.962126
"281722"	1599.392202	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+Cl"	34.969402
"670253"	2381.603602	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+Cl"	34.969402
"1280468"	817.180802	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Cl"	34.969402
"27397"	1601.371406	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M-2H+K"	36.948606
"462582"	2383.582806	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M-2H+K"	36.948606
"837104"	819.160006	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-2H+K"	36.948606
"1563880"	819.160006	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+K-2H"	36.948606
"950667"	827.209594	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-H+HCOOH"	44.998194
"368887"	1609.421001	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+HCOOH-H"	44.998201
"351677"	1623.436651	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+Hac-H"	59.013851
"1505979"	841.225251	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Hac-H"	59.013851
"968416"	849.191551	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-H+NaCOOH"	66.980151
"124265"	817.180802	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+2Cl"	69.938804
"565037"	1208.286502	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+2Cl"	69.938804
"1036274"	426.075102	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2Cl"	69.938804
"1256216"	861.130285	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Br"	78.918885
"1319022"	863.186272	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Cl+HCOOH"	80.974872
"1335059"	885.168229	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Cl+NaCOOH"	102.956829
"920283"	895.196986	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M-H+CF3COOH"	112.985586
"1296991"	931.173664	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Cl+CF3COOH"	148.962264
"1382080"	747.198724	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H-2H2O"	-35.012676
"1390462"	765.2087	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H-H2O"	-17.0027
"294522"	1565.430076	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+H"	1.007276
"688767"	2347.641476	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+H"	1.007276
"1364753"	783.218676	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H"	1.007276
"137642"	783.218676	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+2H"	2.014552
"581095"	1174.324376	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+2H"	2.014552
"1050741"	392.112976	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2H"	2.014552
"207341"	522.481542666667	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+3H"	3.021828
"653103"	783.218676	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+3H"	3.021828
"1173424"	261.744409333333	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+3H"	3.021828
"437423"	1582.456623	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+NH4"	18.033823
"797689"	2364.668023	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+NH4"	18.033823
"1693656"	800.245223	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+NH4"	18.033823
"337926"	791.7319495	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+H+NH4"	19.041099
"734721"	1182.8376495	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+H+NH4"	19.041099
"1488540"	400.6262495	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H+NH4"	19.041099
"403938"	1587.412018	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+Na"	22.989218
"766027"	2369.623418	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+Na"	22.989218
"1615219"	805.200618	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Na"	22.989218
"323069"	794.209647	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+H+Na"	23.996494
"717677"	1185.315347	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+H+Na"	23.996494
"1469310"	403.103947	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H+Na"	23.996494
"1059274"	269.071723333333	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2H+Na"	25.00377
"1264233"	815.244886	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+CH3OH+H"	33.033486
"386092"	1603.385958	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+K"	38.963158
"750369"	2385.597358	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+K"	38.963158
"1551331"	821.174558	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+K"	38.963158
"304133"	802.196617	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+H+K"	39.970434
"697648"	1193.302317	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+H+K"	39.970434
"1452562"	411.090917	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H+K"	39.970434
"245539"	1606.456626	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+ACN+H"	42.033826
"1221529"	824.245226	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+ACN+H"	42.033826
"1204319"	412.626251	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+ACN+2H"	43.041102
"199378"	1609.39396	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+2Na-H"	44.97116
"641859"	2391.60536	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+2Na-H"	44.97116
"1144637"	827.18256	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2Na-H"	44.97116
"186471"	805.200618	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+2Na"	45.978436
"616554"	1196.306318	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+2Na"	45.978436
"1127349"	414.094918	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2Na"	45.978436
"1411238"	276.399037333333	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H+2Na"	46.985712
"1438979"	829.224146	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H+HCOOH"	47.012746
"226488"	810.23364	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+3H2O+2H"	56.04448
"1522933"	843.27619	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+IsoProp+H"	61.06479
"422983"	813.187588	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+Na+K"	61.952376
"782886"	1204.293288	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+Na+K"	61.952376
"1680880"	422.081888	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Na+K"	61.952376
"265742"	1628.438568	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+ACN+Na"	64.015768
"1240155"	846.227168	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+ACN+Na"	64.015768
"1727583"	846.250693	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+NH4+HCOOH"	64.039293
"1192689"	283.726351333333	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+3Na"	68.967654
"1665421"	851.206088	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Na+HCOOH"	68.994688
"171630"	1641.34184	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+2K-H"	76.91904
"609002"	2423.55324	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+2K-H"	76.91904
"1092424"	859.13044	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2K-H"	76.91904
"148145"	821.174558	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"2M+2K"	77.926316
"589892"	1212.280258	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"3M+2K"	77.926316
"1075498"	430.068858	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2K"	77.926316
"1101658"	861.144992	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2K+H"	78.933592
"1341084"	861.232607	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+DMSO+H"	79.021207
"1008517"	865.271776	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2ACN+H"	83.060376
"1527371"	866.265408	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+IsoProp+Na+H"	84.054008
"1000386"	433.139526	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+2ACN+2H"	84.067652
"1594889"	867.180028	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+K+HCOOH"	84.968628
"1421642"	897.211538	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+H+CF3COOH"	115.000138
"1155211"	453.652801	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+3ACN+2H"	125.094202
"1701479"	914.238085	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+NH4+CF3COOH"	132.026685
"1636038"	919.19348	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+Na+CF3COOH"	136.98208
"1573877"	935.16742	"C20336"	"Alphazurine FG"	"C37H34N2O9S32NH4"	"782.2114"	"M+K+CF3COOH"	152.95602
"815184"	622.0456	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M"	0
"985433"	603.02721	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-H2O-H"	-19.01839
"70398"	413.689790666667	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M-3H"	-3.021828
"509959"	621.038324	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M-3H"	-3.021828
"884478"	206.341257333333	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-3H"	-3.021828
"13994"	621.038324	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M-2H"	-2.014552
"453553"	932.061124	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M-2H"	-2.014552
"823700"	310.015524	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-2H"	-2.014552
"82597"	1243.083924	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M-H"	-1.007276
"529817"	1865.129524	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M-H"	-1.007276
"907618"	621.038324	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-H"	-1.007276
"61506"	1260.110471	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M-2H+NH4"	16.019271
"497181"	1882.156071	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M-2H+NH4"	16.019271
"874981"	638.064871	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-2H+NH4"	16.019271
"45072"	1265.065866	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M-2H+Na"	20.974666
"481350"	1887.111466	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M-2H+Na"	20.974666
"863856"	643.020266	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-2H+Na"	20.974666
"1626505"	643.020266	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Na-2H"	20.974666
"105216"	639.026663	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M-H+Cl"	33.962126
"548057"	950.049463	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M-H+Cl"	33.962126
"942630"	328.003863	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-H+Cl"	33.962126
"280858"	1279.060602	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+Cl"	34.969402
"667083"	1901.106202	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+Cl"	34.969402
"1287017"	657.015002	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Cl"	34.969402
"22039"	1281.039806	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M-2H+K"	36.948606
"464881"	1903.085406	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M-2H+K"	36.948606
"838308"	658.994206	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-2H+K"	36.948606
"1563990"	658.994206	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+K-2H"	36.948606
"953698"	667.043794	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-H+HCOOH"	44.998194
"376901"	1289.089401	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+HCOOH-H"	44.998201
"361077"	1303.105051	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+Hac-H"	59.013851
"1507792"	681.059451	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Hac-H"	59.013851
"972791"	689.025751	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-H+NaCOOH"	66.980151
"125104"	657.015002	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+2Cl"	69.938804
"564790"	968.037802	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+2Cl"	69.938804
"1036383"	345.992202	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2Cl"	69.938804
"1256650"	700.964485	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Br"	78.918885
"1319747"	703.020472	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Cl+HCOOH"	80.974872
"1334804"	725.002429	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Cl+NaCOOH"	102.956829
"919300"	735.031186	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M-H+CF3COOH"	112.985586
"1296010"	771.007864	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Cl+CF3COOH"	148.962264
"1374170"	587.032924	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H-2H2O"	-35.012676
"1388386"	605.0429	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H-H2O"	-17.0027
"288436"	1245.098476	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+H"	1.007276
"683774"	1867.144076	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+H"	1.007276
"1359031"	623.052876	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H"	1.007276
"136658"	623.052876	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+2H"	2.014552
"580230"	934.075676	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+2H"	2.014552
"1051216"	312.030076	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2H"	2.014552
"208180"	415.704342666667	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+3H"	3.021828
"653213"	623.052876	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+3H"	3.021828
"1176082"	208.355809333333	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+3H"	3.021828
"436804"	1262.125023	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+NH4"	18.033823
"795614"	1884.170623	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+NH4"	18.033823
"1689757"	640.079423	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+NH4"	18.033823
"336941"	631.5661495	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+H+NH4"	19.041099
"735560"	942.5889495	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+H+NH4"	19.041099
"1488650"	320.5433495	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H+NH4"	19.041099
"404048"	1267.080418	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+Na"	22.989218
"763950"	1889.126018	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+Na"	22.989218
"1615330"	645.034818	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Na"	22.989218
"325367"	634.043847	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+H+Na"	23.996494
"716694"	945.066647	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+H+Na"	23.996494
"1468328"	323.021047	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H+Na"	23.996494
"1060481"	215.683123333333	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2H+Na"	25.00377
"1265440"	655.079086	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+CH3OH+H"	33.033486
"389483"	1283.054358	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+K"	38.963158
"744284"	1905.099958	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+K"	38.963158
"1545974"	661.008758	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+K"	38.963158
"308619"	642.030817	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+H+K"	39.970434
"696665"	953.053617	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+H+K"	39.970434
"1457050"	331.008017	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H+K"	39.970434
"243463"	1286.125026	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+ACN+H"	42.033826
"1220547"	664.079426	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+ACN+H"	42.033826
"1203336"	332.543351	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+ACN+2H"	43.041102
"200582"	1289.06236	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+2Na-H"	44.97116
"639053"	1911.10796	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+2Na-H"	44.97116
"1143653"	667.01676	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2Na-H"	44.97116
"186945"	645.034818	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+2Na"	45.978436
"623227"	956.057618	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+2Na"	45.978436
"1128917"	334.012018	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2Na"	45.978436
"1412077"	223.010437333333	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H+2Na"	46.985712
"1439090"	669.058346	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H+HCOOH"	47.012746
"229880"	650.06784	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+3H2O+2H"	56.04448
"1522313"	683.11039	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+IsoProp+H"	61.06479
"423459"	653.021788	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+Na+K"	61.952376
"784818"	964.044588	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+Na+K"	61.952376
"1680668"	341.998988	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Na+K"	61.952376
"265851"	1308.106968	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+ACN+Na"	64.015768
"1238924"	686.061368	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+ACN+Na"	64.015768
"1725259"	686.084893	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+NH4+HCOOH"	64.039293
"1188426"	230.337751333333	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+3Na"	68.967654
"1661597"	691.040288	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Na+HCOOH"	68.994688
"170647"	1321.01024	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+2K-H"	76.91904
"608019"	1943.05584	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+2K-H"	76.91904
"1091440"	698.96464	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2K-H"	76.91904
"149349"	661.008758	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"2M+2K"	77.926316
"585629"	972.031558	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"3M+2K"	77.926316
"1072692"	349.985958	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2K"	77.926316
"1104443"	700.979192	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2K+H"	78.933592
"1340098"	701.066807	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+DMSO+H"	79.021207
"1008628"	705.105976	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2ACN+H"	83.060376
"1526388"	706.099608	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+IsoProp+Na+H"	84.054008
"992107"	353.056626	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+2ACN+2H"	84.067652
"1589528"	707.014228	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+K+HCOOH"	84.968628
"1419565"	737.045738	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+H+CF3COOH"	115.000138
"1153132"	373.569901	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+3ACN+2H"	125.094202
"1700498"	754.072285	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+NH4+CF3COOH"	132.026685
"1637242"	759.02768	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+Na+CF3COOH"	136.98208
"1572894"	775.00162	"C20337"	"Alizarin cyanin green;CI Acid green 25"	"C28H20N2O8S22Na"	"622.0456"	"M+K+CF3COOH"	152.95602
"808730"	298.3236	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M"	0
"985543"	279.30521	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-H2O-H"	-19.01839
"72693"	197.875124	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M-3H"	-3.021828
"508976"	297.316324	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M-3H"	-3.021828
"883497"	98.433924	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-3H"	-3.021828
"11552"	297.316324	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M-2H"	-2.014552
"448196"	446.478124	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M-2H"	-2.014552
"820892"	148.154524	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-2H"	-2.014552
"82341"	595.639924	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M-H"	-1.007276
"530779"	893.963524	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M-H"	-1.007276
"907728"	297.316324	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-H"	-1.007276
"61375"	612.666471	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M-2H+NH4"	16.019271
"497291"	910.990071	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M-2H+NH4"	16.019271
"876915"	314.342871	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-2H+NH4"	16.019271
"44573"	617.621866	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M-2H+Na"	20.974666
"481460"	915.945466	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M-2H+Na"	20.974666
"861085"	319.298266	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-2H+Na"	20.974666
"1633418"	319.298266	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Na-2H"	20.974666
"105328"	315.304663	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M-H+Cl"	33.962126
"540515"	464.466463	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M-H+Cl"	33.962126
"931841"	166.142863	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-H+Cl"	33.962126
"269306"	631.616602	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+Cl"	34.969402
"662820"	929.940202	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+Cl"	34.969402
"1283969"	333.293002	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Cl"	34.969402
"24337"	633.595806	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M-2H+K"	36.948606
"464991"	931.919406	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M-2H+K"	36.948606
"836231"	335.272206	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-2H+K"	36.948606
"1561912"	335.272206	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+K-2H"	36.948606
"951985"	343.321794	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-H+HCOOH"	44.998194
"376488"	641.645401	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+HCOOH-H"	44.998201
"360779"	655.661051	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+Hac-H"	59.013851
"1507789"	357.337451	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Hac-H"	59.013851
"973874"	365.303751	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-H+NaCOOH"	66.980151
"125417"	333.293002	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+2Cl"	69.938804
"565629"	482.454802	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+2Cl"	69.938804
"1036492"	184.131202	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2Cl"	69.938804
"1256431"	377.242485	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Br"	78.918885
"1318875"	379.298472	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Cl+HCOOH"	80.974872
"1333454"	401.280429	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Cl+NaCOOH"	102.956829
"920503"	411.309186	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M-H+CF3COOH"	112.985586
"1297211"	447.285864	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Cl+CF3COOH"	148.962264
"1375374"	263.310924	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H-2H2O"	-35.012676
"1389588"	281.3209	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H-H2O"	-17.0027
"285266"	597.654476	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+H"	1.007276
"678781"	895.978076	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+H"	1.007276
"1358048"	299.330876	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H"	1.007276
"135309"	299.330876	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+2H"	2.014552
"577057"	448.492676	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+2H"	2.014552
"1047679"	150.169076	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2H"	2.014552
"208655"	199.889676	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+3H"	3.021828
"652230"	299.330876	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+3H"	3.021828
"1175827"	100.448476	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+3H"	3.021828
"435452"	614.681023	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+NH4"	18.033823
"797909"	913.004623	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+NH4"	18.033823
"1694238"	316.357423	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+NH4"	18.033823
"337051"	307.8441495	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+H+NH4"	19.041099
"733845"	457.0059495	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+H+NH4"	19.041099
"1487667"	158.6823495	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H+NH4"	19.041099
"400878"	619.636418	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+Na"	22.989218
"764060"	917.960018	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+Na"	22.989218
"1616533"	321.312818	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Na"	22.989218
"326570"	310.321847	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+H+Na"	23.996494
"713524"	459.483647	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+H+Na"	23.996494
"1469531"	161.160047	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H+Na"	23.996494
"1060591"	107.77579	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2H+Na"	25.00377
"1265550"	331.357086	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+CH3OH+H"	33.033486
"389593"	635.610358	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+K"	38.963158
"747310"	933.933958	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+K"	38.963158
"1544991"	337.286758	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+K"	38.963158
"307635"	318.308817	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+H+K"	39.970434
"700056"	467.470617	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+H+K"	39.970434
"1457159"	169.147017	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H+K"	39.970434
"243573"	638.681026	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+ACN+H"	42.033826
"1219564"	340.357426	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+ACN+H"	42.033826
"1202353"	170.682351	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+ACN+2H"	43.041102
"200692"	641.61836	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+2Na-H"	44.97116
"638799"	939.94196	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+2Na-H"	44.97116
"1142670"	343.29476	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2Na-H"	44.97116
"185961"	321.312818	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+2Na"	45.978436
"623337"	470.474618	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+2Na"	45.978436
"1130120"	172.151018	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2Na"	45.978436
"1411823"	115.103104	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H+2Na"	46.985712
"1436284"	345.336346	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H+HCOOH"	47.012746
"232178"	326.34584	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+3H2O+2H"	56.04448
"1521329"	359.38839	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+IsoProp+H"	61.06479
"420655"	329.299788	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+Na+K"	61.952376
"784200"	478.461588	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+Na+K"	61.952376
"1678712"	180.137988	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Na+K"	61.952376
"264868"	660.662968	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+ACN+Na"	64.015768
"1237575"	362.339368	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+ACN+Na"	64.015768
"1720995"	362.362893	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+NH4+HCOOH"	64.039293
"1188537"	122.430418	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+3Na"	68.967654
"1661708"	367.318288	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Na+HCOOH"	68.994688
"170757"	673.56624	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+2K-H"	76.91904
"604849"	971.88984	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+2K-H"	76.91904
"1092644"	375.24264	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2K-H"	76.91904
"151645"	337.286758	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"2M+2K"	77.926316
"585009"	486.448558	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"3M+2K"	77.926316
"1070980"	188.124958	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2K"	77.926316
"1103460"	377.257192	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2K+H"	78.933592
"1339115"	377.344807	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+DMSO+H"	79.021207
"1008738"	381.383976	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2ACN+H"	83.060376
"1527957"	382.377608	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+IsoProp+Na+H"	84.054008
"990880"	191.195626	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+2ACN+2H"	84.067652
"1589638"	383.292228	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+K+HCOOH"	84.968628
"1418582"	413.323738	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+H+CF3COOH"	115.000138
"1151056"	211.708901	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+3ACN+2H"	125.094202
"1699515"	430.350285	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+NH4+CF3COOH"	132.026685
"1638445"	435.30568	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+Na+CF3COOH"	136.98208
"1574097"	451.27962	"C20338"	"2-Octyl dodecanol;Octyldodecanol"	"C20H42O"	"298.3236"	"M+K+CF3COOH"	152.95602
"809933"	87.0684	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M"	0
"977998"	68.05001	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-H2O-H"	-19.01839
"76083"	57.038324	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M-3H"	-3.021828
"513458"	86.061124	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M-3H"	-3.021828
"883606"	28.015524	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-3H"	-3.021828
"9475"	86.061124	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M-2H"	-2.014552
"447213"	129.595324	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M-2H"	-2.014552
"820638"	42.526924	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-2H"	-2.014552
"81356"	173.129524	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M-H"	-1.007276
"530038"	260.197924	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M-H"	-1.007276
"904558"	86.061124	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-H"	-1.007276
"61485"	190.156071	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M-2H+NH4"	16.019271
"499954"	277.224471	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M-2H+NH4"	16.019271
"877268"	103.087671	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-2H+NH4"	16.019271
"46386"	195.111466	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M-2H+Na"	20.974666
"484729"	282.179866	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M-2H+Na"	20.974666
"861559"	108.043066	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-2H+Na"	20.974666
"1632186"	108.043066	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Na-2H"	20.974666
"102158"	104.049463	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M-H+Cl"	33.962126
"539532"	147.583663	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M-H+Cl"	33.962126
"937420"	60.515263	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-H+Cl"	33.962126
"271602"	209.106202	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+Cl"	34.969402
"661837"	296.174602	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+Cl"	34.969402
"1282986"	122.037802	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Cl"	34.969402
"24447"	211.085406	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M-2H+K"	36.948606
"465101"	298.153806	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M-2H+K"	36.948606
"835247"	124.017006	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-2H+K"	36.948606
"1558010"	124.017006	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+K-2H"	36.948606
"949906"	132.066594	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-H+HCOOH"	44.998194
"375060"	219.135001	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+HCOOH-H"	44.998201
"359306"	233.150651	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+Hac-H"	59.013851
"1507777"	146.082251	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Hac-H"	59.013851
"974027"	154.048551	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-H+NaCOOH"	66.980151
"125320"	122.037802	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+2Cl"	69.938804
"565534"	165.572002	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+2Cl"	69.938804
"1036236"	78.503602	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2Cl"	69.938804
"1255815"	165.987285	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Br"	78.918885
"1318620"	168.043272	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Cl+HCOOH"	80.974872
"1331743"	190.025229	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Cl+NaCOOH"	102.956829
"924989"	200.053986	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M-H+CF3COOH"	112.985586
"1295135"	236.030664	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Cl+CF3COOH"	148.962264
"1375484"	52.055724	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H-2H2O"	-35.012676
"1388605"	70.0657	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H-H2O"	-17.0027
"290479"	175.144076	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+H"	1.007276
"682901"	262.212476	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+H"	1.007276
"1359250"	88.075676	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H"	1.007276
"137973"	88.075676	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+2H"	2.014552
"578992"	131.609876	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+2H"	2.014552
"1050707"	44.541476	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2H"	2.014552
"217516"	59.052876	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+3H"	3.021828
"653433"	88.075676	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+3H"	3.021828
"1177030"	30.030076	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+3H"	3.021828
"433739"	192.170623	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+NH4"	18.033823
"799478"	279.239023	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+NH4"	18.033823
"1695807"	105.102223	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+NH4"	18.033823
"337161"	96.5889495	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+H+NH4"	19.041099
"735048"	140.1231495	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+H+NH4"	19.041099
"1489964"	53.0547495	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H+NH4"	19.041099
"402081"	197.126018	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+Na"	22.989218
"764170"	284.194418	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+Na"	22.989218
"1616522"	110.057618	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Na"	22.989218
"325587"	99.066647	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+H+Na"	23.996494
"713634"	142.600847	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+H+Na"	23.996494
"1469641"	55.532447	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H+Na"	23.996494
"1063980"	37.35739	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2H+Na"	25.00377
"1265658"	120.101886	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+CH3OH+H"	33.033486
"384236"	213.099958	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+K"	38.963158
"746327"	300.168358	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+K"	38.963158
"1549474"	126.031558	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+K"	38.963158
"309567"	107.053617	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+H+K"	39.970434
"700166"	150.587817	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+H+K"	39.970434
"1457269"	63.519417	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H+K"	39.970434
"245870"	216.170626	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+ACN+H"	42.033826
"1218579"	129.102226	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+ACN+H"	42.033826
"1205743"	65.054751	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+ACN+2H"	43.041102
"201895"	219.10796	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+2Na-H"	44.97116
"640365"	306.17636	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+2Na-H"	44.97116
"1142414"	132.03956	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2Na-H"	44.97116
"184252"	110.057618	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+2Na"	45.978436
"622354"	153.591818	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+2Na"	45.978436
"1128775"	66.523418	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2Na"	45.978436
"1411207"	44.684704	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H+2Na"	46.985712
"1439310"	134.081146	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H+HCOOH"	47.012746
"231560"	115.09064	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+3H2O+2H"	56.04448
"1519254"	148.13319	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+IsoProp+H"	61.06479
"421495"	118.044588	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+Na+K"	61.952376
"782853"	161.578788	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+Na+K"	61.952376
"1678823"	74.510388	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Na+K"	61.952376
"265342"	238.152568	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+ACN+Na"	64.015768
"1239145"	151.084168	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+ACN+Na"	64.015768
"1721105"	151.107693	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+NH4+HCOOH"	64.039293
"1191928"	52.012018	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+3Na"	68.967654
"1662912"	156.063088	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Na+HCOOH"	68.994688
"168681"	251.05584	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+2K-H"	76.91904
"610427"	338.12424	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+2K-H"	76.91904
"1092754"	163.98744	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2K-H"	76.91904
"150663"	126.031558	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"2M+2K"	77.926316
"585849"	169.565758	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"3M+2K"	77.926316
"1071090"	82.497358	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2K"	77.926316
"1103570"	166.001992	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2K+H"	78.933592
"1342142"	166.089607	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+DMSO+H"	79.021207
"1007391"	170.128776	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2ACN+H"	83.060376
"1525271"	171.122408	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+IsoProp+Na+H"	84.054008
"993057"	85.568026	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+2ACN+2H"	84.067652
"1588653"	172.037028	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+K+HCOOH"	84.968628
"1416501"	202.068538	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+H+CF3COOH"	115.000138
"1149341"	106.081301	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+3ACN+2H"	125.094202
"1700716"	219.095085	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+NH4+CF3COOH"	132.026685
"1635639"	224.05048	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+Na+CF3COOH"	136.98208
"1573477"	240.02442	"C20339"	"NN-Dimethylacetamide"	"C4H9NO"	"87.0684"	"M+K+CF3COOH"	152.95602
"810043"	442.2931	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M"	0
"978108"	423.27471	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-H2O-H"	-19.01839
"77286"	293.854790666667	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M-3H"	-3.021828
"515754"	441.285824	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M-3H"	-3.021828
"889183"	146.423757333333	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-3H"	-3.021828
"13229"	441.285824	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M-2H"	-2.014552
"447323"	662.432374	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M-2H"	-2.014552
"820748"	220.139274	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-2H"	-2.014552
"82926"	883.578924	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M-H"	-1.007276
"530147"	1325.872024	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M-H"	-1.007276
"905761"	441.285824	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-H"	-1.007276
"61837"	900.605471	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M-2H+NH4"	16.019271
"500791"	1342.898571	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M-2H+NH4"	16.019271
"878592"	458.312371	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-2H+NH4"	16.019271
"47027"	905.560866	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M-2H+Na"	20.974666
"486865"	1347.853966	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M-2H+Na"	20.974666
"861669"	463.267766	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-2H+Na"	20.974666
"1630109"	463.267766	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Na-2H"	20.974666
"105548"	459.274163	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M-H+Cl"	33.962126
"542922"	680.420713	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M-H+Cl"	33.962126
"938623"	238.127613	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-H+Cl"	33.962126
"272805"	919.555602	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+Cl"	34.969402
"661217"	1361.848702	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+Cl"	34.969402
"1284189"	477.262502	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Cl"	34.969402
"24557"	921.534806	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M-2H+K"	36.948606
"461931"	1363.827906	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M-2H+K"	36.948606
"837544"	479.241706	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-2H+K"	36.948606
"1558120"	479.241706	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+K-2H"	36.948606
"946736"	487.291294	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-H+HCOOH"	44.998194
"375897"	929.584401	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+HCOOH-H"	44.998201
"359415"	943.600051	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+Hac-H"	59.013851
"1506917"	501.306951	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Hac-H"	59.013851
"973125"	509.273251	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-H+NaCOOH"	66.980151
"124706"	477.262502	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+2Cl"	69.938804
"564385"	698.409052	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+2Cl"	69.938804
"1036348"	256.115952	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2Cl"	69.938804
"1256409"	521.211985	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Br"	78.918885
"1319339"	523.267972	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Cl+HCOOH"	80.974872
"1334404"	545.249929	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Cl+NaCOOH"	102.956829
"926192"	555.278686	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M-H+CF3COOH"	112.985586
"1303915"	591.255364	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Cl+CF3COOH"	148.962264
"1376686"	407.280424	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H-2H2O"	-35.012676
"1388715"	425.2904	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H-H2O"	-17.0027
"290589"	885.593476	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+H"	1.007276
"679731"	1327.886576	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+H"	1.007276
"1363006"	443.300376	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H"	1.007276
"137718"	443.300376	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+2H"	2.014552
"576548"	664.446926	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+2H"	2.014552
"1050453"	222.153826	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2H"	2.014552
"217991"	295.869342666667	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+3H"	3.021828
"653543"	443.300376	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+3H"	3.021828
"1174223"	148.438309333333	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+3H"	3.021828
"431662"	902.620023	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+NH4"	18.033823
"801347"	1344.913123	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+NH4"	18.033823
"1696770"	460.326923	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+NH4"	18.033823
"343830"	451.8136495	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+H+NH4"	19.041099
"735158"	672.9601995	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+H+NH4"	19.041099
"1491168"	230.6670995	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H+NH4"	19.041099
"402191"	907.575418	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+Na"	22.989218
"765373"	1349.868518	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+Na"	22.989218
"1614566"	465.282318	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Na"	22.989218
"325697"	454.291347	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+H+Na"	23.996494
"713743"	675.437897	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+H+Na"	23.996494
"1464284"	233.144797	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H+Na"	23.996494
"1061903"	155.765623333333	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2H+Na"	25.00377
"1263581"	475.326586	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+CH3OH+H"	33.033486
"384345"	923.549358	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+K"	38.963158
"746437"	1365.842458	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+K"	38.963158
"1551771"	481.256258	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+K"	38.963158
"305667"	462.278317	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+H+K"	39.970434
"700276"	683.424867	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+H+K"	39.970434
"1458472"	241.131767	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H+K"	39.970434
"247073"	926.620026	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+ACN+H"	42.033826
"1215408"	484.326926	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+ACN+H"	42.033826
"1203666"	242.667101	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+ACN+2H"	43.041102
"200912"	929.55736	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+2Na-H"	44.97116
"641205"	1371.85046	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+2Na-H"	44.97116
"1143617"	487.26426	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2Na-H"	44.97116
"185450"	465.282318	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+2Na"	45.978436
"620639"	686.428868	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+2Na"	45.978436
"1128886"	244.135768	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2Na"	45.978436
"1407304"	163.092937333333	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H+2Na"	46.985712
"1439420"	489.305846	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H+HCOOH"	47.012746
"232033"	470.31534	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+3H2O+2H"	56.04448
"1520093"	503.35789	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+IsoProp+H"	61.06479
"422698"	473.269288	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+Na+K"	61.952376
"779681"	694.415838	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+Na+K"	61.952376
"1679297"	252.122738	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Na+K"	61.952376
"265452"	948.601968	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+ACN+Na"	64.015768
"1240716"	506.308868	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+ACN+Na"	64.015768
"1723038"	506.332393	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+NH4+HCOOH"	64.039293
"1189851"	170.420251333333	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+3Na"	68.967654
"1663022"	511.287788	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Na+HCOOH"	68.994688
"169883"	961.50524	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+2K-H"	76.91904
"608351"	1403.79834	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+2K-H"	76.91904
"1092864"	519.21214	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2K-H"	76.91904
"150773"	481.256258	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"2M+2K"	77.926316
"585959"	702.402808	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"3M+2K"	77.926316
"1072658"	260.109708	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2K"	77.926316
"1103680"	521.226692	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2K+H"	78.933592
"1342251"	521.314307	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+DMSO+H"	79.021207
"1008594"	525.353476	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2ACN+H"	83.060376
"1526718"	526.347108	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+IsoProp+Na+H"	84.054008
"993167"	263.180376	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+2ACN+2H"	84.067652
"1590949"	527.261728	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+K+HCOOH"	84.968628
"1417704"	557.293238	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+H+CF3COOH"	115.000138
"1149086"	283.693651	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+3ACN+2H"	125.094202
"1699733"	574.319785	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+NH4+CF3COOH"	132.026685
"1636842"	579.27518	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+Na+CF3COOH"	136.98208
"1573586"	595.24912	"C20340"	"L-Ascorbic acid 6-octadecanoate;L-Ascorbic acid monostearate"	"C24H42O7"	"442.2931"	"M+K+CF3COOH"	152.95602
"806873"	177.9854	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M"	0
"977125"	158.96701	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-H2O-H"	-19.01839
"77396"	117.649657333333	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M-3H"	-3.021828
"512584"	176.978124	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M-3H"	-3.021828
"887107"	58.3211906666667	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-3H"	-3.021828
"12975"	176.978124	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M-2H"	-2.014552
"447433"	265.970824	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M-2H"	-2.014552
"820858"	87.985424	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-2H"	-2.014552
"81214"	354.963524	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M-H"	-1.007276
"526977"	532.948924	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M-H"	-1.007276
"908058"	176.978124	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-H"	-1.007276
"61338"	371.990071	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M-2H+NH4"	16.019271
"502604"	549.975471	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M-2H+NH4"	16.019271
"875422"	194.004671	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-2H+NH4"	16.019271
"45508"	376.945466	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M-2H+Na"	20.974666
"481789"	554.930866	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M-2H+Na"	20.974666
"856311"	198.960066	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-2H+Na"	20.974666
"1630219"	198.960066	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Na-2H"	20.974666
"105658"	194.966463	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M-H+Cl"	33.962126
"543032"	283.959163	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M-H+Cl"	33.962126
"936544"	105.973763	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-H+Cl"	33.962126
"270729"	390.940202	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+Cl"	34.969402
"664244"	568.925602	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+Cl"	34.969402
"1281019"	212.954802	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Cl"	34.969402
"19200"	392.919406	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M-2H+K"	36.948606
"462041"	570.904806	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M-2H+K"	36.948606
"836560"	214.934006	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-2H+K"	36.948606
"1556286"	214.934006	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+K-2H"	36.948606
"944658"	222.983594	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-H+HCOOH"	44.998194
"376375"	400.969001	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+HCOOH-H"	44.998201
"361111"	414.984651	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+Hac-H"	59.013851
"1507270"	236.999251	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Hac-H"	59.013851
"973483"	244.965551	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-H+NaCOOH"	66.980151
"125589"	212.954802	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+2Cl"	69.938804
"565469"	301.947502	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+2Cl"	69.938804
"1036576"	123.962102	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2Cl"	69.938804
"1256806"	256.904285	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Br"	78.918885
"1319451"	258.960272	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Cl+HCOOH"	80.974872
"1332691"	280.942229	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Cl+NaCOOH"	102.956829
"926061"	290.970986	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M-H+CF3COOH"	112.985586
"1302525"	326.947664	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Cl+CF3COOH"	148.962264
"1375703"	142.972724	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H-2H2O"	-35.012676
"1387732"	160.9827	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H-H2O"	-17.0027
"289606"	356.978076	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+H"	1.007276
"679841"	534.963476	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+H"	1.007276
"1363480"	178.992676	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H"	1.007276
"137828"	178.992676	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+2H"	2.014552
"575929"	267.985376	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+2H"	2.014552
"1049834"	89.999976	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2H"	2.014552
"217372"	119.664209333333	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+3H"	3.021828
"646358"	178.992676	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+3H"	3.021828
"1172874"	60.3357426666667	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+3H"	3.021828
"430679"	374.004623	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+NH4"	18.033823
"800790"	551.990023	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+NH4"	18.033823
"1696596"	196.019223	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+NH4"	18.033823
"343576"	187.5059495	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+H+NH4"	19.041099
"733081"	276.4986495	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+H+NH4"	19.041099
"1489090"	98.5132495	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H+NH4"	19.041099
"402301"	378.960018	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+Na"	22.989218
"764390"	556.945418	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+Na"	22.989218
"1614676"	200.974618	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Na"	22.989218
"320339"	189.983647	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+H+Na"	23.996494
"710937"	278.976347	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+H+Na"	23.996494
"1465121"	100.990947	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H+Na"	23.996494
"1058732"	67.6630566666667	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2H+Na"	25.00377
"1263691"	211.018886	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+CH3OH+H"	33.033486
"381174"	394.933958	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+K"	38.963158
"740710"	572.919358	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+K"	38.963158
"1545316"	216.948558	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+K"	38.963158
"305777"	197.970617	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+H+K"	39.970434
"700386"	286.963317	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+H+K"	39.970434
"1456392"	108.977917	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H+K"	39.970434
"244996"	398.004626	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+ACN+H"	42.033826
"1215518"	220.019226	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+ACN+H"	42.033826
"1199402"	110.513251	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+ACN+2H"	43.041102
"201022"	400.94196	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+2Na-H"	44.97116
"640585"	578.92736	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+2Na-H"	44.97116
"1139716"	222.95656	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2Na-H"	44.97116
"184831"	200.974618	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+2Na"	45.978436
"624029"	289.967318	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+2Na"	45.978436
"1125347"	111.981918	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2Na"	45.978436
"1410329"	74.9903706666667	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H+2Na"	46.985712
"1439530"	224.998146	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H+HCOOH"	47.012746
"229953"	206.00764	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+3H2O+2H"	56.04448
"1522028"	239.05019	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+IsoProp+H"	61.06479
"420984"	208.961588	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+Na+K"	61.952376
"780155"	297.954288	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+Na+K"	61.952376
"1679406"	119.968888	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Na+K"	61.952376
"265197"	419.986568	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+ACN+Na"	64.015768
"1239729"	242.001168	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+ACN+Na"	64.015768
"1723512"	242.024693	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+NH4+HCOOH"	64.039293
"1188867"	82.3176846666667	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+3Na"	68.967654
"1662039"	246.980088	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Na+HCOOH"	68.994688
"167806"	432.88984	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+2K-H"	76.91904
"607367"	610.87524	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+2K-H"	76.91904
"1094067"	254.90444	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2K-H"	76.91904
"149790"	216.948558	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"2M+2K"	77.926316
"584610"	305.941258	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"3M+2K"	77.926316
"1071675"	127.955858	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2K"	77.926316
"1107070"	256.918992	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2K+H"	78.933592
"1342361"	257.006607	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+DMSO+H"	79.021207
"1011985"	261.045776	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2ACN+H"	83.060376
"1526098"	262.039408	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+IsoProp+Na+H"	84.054008
"993277"	131.026526	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+2ACN+2H"	84.067652
"1589966"	262.954028	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+K+HCOOH"	84.968628
"1418907"	292.985538	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+H+CF3COOH"	115.000138
"1148103"	151.539801	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+3ACN+2H"	125.094202
"1699114"	310.012085	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+NH4+CF3COOH"	132.026685
"1636223"	314.96748	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+Na+CF3COOH"	136.98208
"1572238"	330.94142	"C20341"	"Disodium malate;Disodium DL-malate"	"C4H4O52Na"	"177.9854"	"M+K+CF3COOH"	152.95602
"806983"	194.0943	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M"	0
"979422"	175.07591	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-H2O-H"	-19.01839
"74226"	128.388924	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M-3H"	-3.021828
"510507"	193.087024	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M-3H"	-3.021828
"889403"	63.690824	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-3H"	-3.021828
"11992"	193.087024	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M-2H"	-2.014552
"447543"	290.134174	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M-2H"	-2.014552
"823156"	96.039874	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-2H"	-2.014552
"85335"	387.181324	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M-H"	-1.007276
"525994"	581.275624	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M-H"	-1.007276
"905981"	193.087024	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-H"	-1.007276
"61448"	404.207871	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M-2H+NH4"	16.019271
"497730"	598.302171	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M-2H+NH4"	16.019271
"877719"	210.113571	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-2H+NH4"	16.019271
"44528"	409.163266	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M-2H+Na"	20.974666
"484816"	603.257566	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M-2H+Na"	20.974666
"861889"	215.068966	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-2H+Na"	20.974666
"1630329"	215.068966	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Na-2H"	20.974666
"102488"	211.075363	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M-H+Cl"	33.962126
"543142"	308.122513	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M-H+Cl"	33.962126
"938842"	114.028213	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-H+Cl"	33.962126
"275212"	423.158002	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+Cl"	34.969402
"666540"	617.252302	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+Cl"	34.969402
"1285505"	229.063702	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Cl"	34.969402
"29153"	425.137206	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M-2H+K"	36.948606
"463247"	619.231506	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M-2H+K"	36.948606
"841045"	231.042906	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-2H+K"	36.948606
"1557247"	231.042906	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+K-2H"	36.948606
"945863"	239.092494	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-H+HCOOH"	44.998194
"375394"	433.186801	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+HCOOH-H"	44.998201
"360003"	447.202451	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+Hac-H"	59.013851
"1506284"	253.108151	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Hac-H"	59.013851
"974180"	261.074451	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-H+NaCOOH"	66.980151
"125492"	229.063702	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+2Cl"	69.938804
"564969"	326.110852	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+2Cl"	69.938804
"1036322"	132.016552	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2Cl"	69.938804
"1252128"	273.013185	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Br"	78.918885
"1315670"	275.069172	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Cl+HCOOH"	80.974872
"1328794"	297.051129	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Cl+NaCOOH"	102.956829
"926052"	307.079886	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M-H+CF3COOH"	112.985586
"1299840"	343.056564	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Cl+CF3COOH"	148.962264
"1374721"	159.081624	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H-2H2O"	-35.012676
"1388935"	177.0916	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H-H2O"	-17.0027
"288623"	389.195876	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+H"	1.007276
"679951"	583.290176	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+H"	1.007276
"1359216"	195.101576	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H"	1.007276
"138303"	195.101576	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+2H"	2.014552
"577863"	292.148726	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+2H"	2.014552
"1049944"	98.054426	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2H"	2.014552
"216025"	130.403476	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+3H"	3.021828
"653758"	195.101576	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+3H"	3.021828
"1172984"	65.705376	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+3H"	3.021828
"432974"	406.222423	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+NH4"	18.033823
"793972"	600.316723	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+NH4"	18.033823
"1682647"	212.128123	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+NH4"	18.033823
"340770"	203.6148495	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+H+NH4"	19.041099
"731004"	300.6619995	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+H+NH4"	19.041099
"1485919"	106.5676995	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H+NH4"	19.041099
"399131"	411.177818	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+Na"	22.989218
"761219"	605.272118	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+Na"	22.989218
"1607131"	217.083518	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Na"	22.989218
"316438"	206.092547	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+H+Na"	23.996494
"708007"	303.139697	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+H+Na"	23.996494
"1461322"	109.045397	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H+Na"	23.996494
"1055197"	73.03269	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2H+Na"	25.00377
"1259428"	227.127786	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+CH3OH+H"	33.033486
"377639"	427.151758	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+K"	38.963158
"739363"	621.246058	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+K"	38.963158
"1543241"	233.057458	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+K"	38.963158
"306981"	214.079517	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+H+K"	39.970434
"700496"	311.126667	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+H+K"	39.970434
"1455409"	117.032367	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H+K"	39.970434
"241826"	430.222426	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+ACN+H"	42.033826
"1213441"	236.128126	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+ACN+H"	42.033826
"1197325"	118.567701	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+ACN+2H"	43.041102
"193478"	433.15976	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+2Na-H"	44.97116
"634132"	627.25406	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+2Na-H"	44.97116
"1132777"	239.06546	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2Na-H"	44.97116
"183118"	217.083518	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+2Na"	45.978436
"617941"	314.130668	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+2Na"	45.978436
"1125458"	120.036368	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2Na"	45.978436
"1402056"	80.360004	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H+2Na"	46.985712
"1442195"	241.107046	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H+HCOOH"	47.012746
"227147"	222.11654	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+3H2O+2H"	56.04448
"1521407"	255.15909	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+IsoProp+H"	61.06479
"419269"	225.070488	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+Na+K"	61.952376
"775161"	322.117638	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+Na+K"	61.952376
"1675503"	128.023338	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Na+K"	61.952376
"261662"	452.204368	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+ACN+Na"	64.015768
"1236194"	258.110068	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+ACN+Na"	64.015768
"1720340"	258.133593	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+NH4+HCOOH"	64.039293
"1186789"	87.687318	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+3Na"	68.967654
"1658867"	263.088988	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Na+HCOOH"	68.994688
"166822"	465.10764	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+2K-H"	76.91904
"607475"	659.20194	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+2K-H"	76.91904
"1084697"	271.01334	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2K-H"	76.91904
"144795"	233.057458	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"2M+2K"	77.926316
"585082"	330.104608	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"3M+2K"	77.926316
"1068864"	136.010308	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2K"	77.926316
"1102074"	273.027892	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2K+H"	78.933592
"1338824"	273.115507	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+DMSO+H"	79.021207
"1007355"	277.154676	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2ACN+H"	83.060376
"1526209"	278.148308	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+IsoProp+Na+H"	84.054008
"996667"	139.080976	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+2ACN+2H"	84.067652
"1588982"	279.062928	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+K+HCOOH"	84.968628
"1416828"	309.094438	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+H+CF3COOH"	115.000138
"1149304"	159.594251	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+3ACN+2H"	125.094202
"1701045"	326.120985	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+NH4+CF3COOH"	132.026685
"1635237"	331.07638	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+Na+CF3COOH"	136.98208
"1573440"	347.05032	"C20342"	"Isobutylparaben;Isobutyl parahydroxybenzoate"	"C11H14O3"	"194.0943"	"M+K+CF3COOH"	152.95602
"812560"	180.0786	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M"	0
"982812"	161.06021	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-H2O-H"	-19.01839
"76523"	119.045124	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M-3H"	-3.021828
"516084"	179.071324	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M-3H"	-3.021828
"889514"	59.018924	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-3H"	-3.021828
"12102"	179.071324	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M-2H"	-2.014552
"446559"	269.110624	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M-2H"	-2.014552
"822173"	89.032024	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-2H"	-2.014552
"84352"	359.149924	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M-H"	-1.007276
"526104"	539.228524	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M-H"	-1.007276
"907186"	179.071324	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-H"	-1.007276
"61074"	376.176471	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M-2H+NH4"	16.019271
"496747"	556.255071	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M-2H+NH4"	16.019271
"874549"	196.097871	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-2H+NH4"	16.019271
"36984"	381.131866	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M-2H+Na"	20.974666
"484927"	561.210466	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M-2H+Na"	20.974666
"862729"	201.053266	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-2H+Na"	20.974666
"1632629"	201.053266	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Na-2H"	20.974666
"99319"	197.059663	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M-H+Cl"	33.962126
"536691"	287.098963	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M-H+Cl"	33.962126
"932392"	107.020363	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-H+Cl"	33.962126
"276416"	395.126602	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+Cl"	34.969402
"664462"	575.205202	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+Cl"	34.969402
"1275773"	215.048002	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Cl"	34.969402
"17234"	397.105806	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M-2H+K"	36.948606
"461169"	577.184406	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M-2H+K"	36.948606
"835688"	217.027206	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-2H+K"	36.948606
"1558087"	217.027206	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+K-2H"	36.948606
"948159"	225.076794	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-H+HCOOH"	44.998194
"370752"	405.155401	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+HCOOH-H"	44.998201
"355729"	419.171051	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+Hac-H"	59.013851
"1507119"	239.092451	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Hac-H"	59.013851
"973815"	247.058751	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-H+NaCOOH"	66.980151
"125619"	215.048002	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+2Cl"	69.938804
"564594"	305.087302	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+2Cl"	69.938804
"1036190"	125.008702	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2Cl"	69.938804
"1254792"	258.997485	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Br"	78.918885
"1315780"	261.053472	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Cl+HCOOH"	80.974872
"1328904"	283.035429	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Cl+NaCOOH"	102.956829
"926040"	293.064186	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M-H+CF3COOH"	112.985586
"1302867"	329.040864	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Cl+CF3COOH"	148.962264
"1379935"	145.065924	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H-2H2O"	-35.012676
"1390141"	163.0759	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H-H2O"	-17.0027
"290920"	361.164476	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+H"	1.007276
"681154"	541.243076	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+H"	1.007276
"1359690"	181.085876	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H"	1.007276
"136226"	181.085876	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+2H"	2.014552
"576148"	271.125176	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+2H"	2.014552
"1049325"	91.046576	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2H"	2.014552
"216867"	121.059676	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+3H"	3.021828
"652779"	181.085876	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+3H"	3.021828
"1172730"	61.033476	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+3H"	3.021828
"433084"	378.191023	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+NH4"	18.033823
"794082"	558.269623	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+NH4"	18.033823
"1693330"	198.112423	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+NH4"	18.033823
"339789"	189.5991495	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+H+NH4"	19.041099
"735489"	279.6384495	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+H+NH4"	19.041099
"1489313"	99.5598495	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H+NH4"	19.041099
"404711"	383.146418	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+Na"	22.989218
"761331"	563.225018	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+Na"	22.989218
"1612710"	203.067818	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Na"	22.989218
"316548"	192.076847	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+H+Na"	23.996494
"707995"	282.116147	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+H+Na"	23.996494
"1462546"	102.037547	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H+Na"	23.996494
"1056766"	68.36079	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2H+Na"	25.00377
"1261726"	213.112086	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+CH3OH+H"	33.033486
"377751"	399.120358	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+K"	38.963158
"747860"	579.198958	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+K"	38.963158
"1545540"	219.041758	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+K"	38.963158
"307091"	200.063817	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+H+K"	39.970434
"700606"	290.103117	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+H+K"	39.970434
"1455520"	110.024517	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H+K"	39.970434
"240844"	402.191026	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+ACN+H"	42.033826
"1213551"	222.112426	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+ACN+H"	42.033826
"1194881"	111.559851	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+ACN+2H"	43.041102
"190428"	405.12836	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+2Na-H"	44.97116
"634242"	585.20696	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+2Na-H"	44.97116
"1131631"	225.04976	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2Na-H"	44.97116
"182500"	203.067818	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+2Na"	45.978436
"618781"	293.107118	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+2Na"	45.978436
"1127390"	113.028518	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2Na"	45.978436
"1407635"	75.688104	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H+2Na"	46.985712
"1442668"	227.091346	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H+HCOOH"	47.012746
"229444"	208.10084	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+3H2O+2H"	56.04448
"1521517"	241.14339	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+IsoProp+H"	61.06479
"417192"	211.054788	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+Na+K"	61.952376
"781835"	301.094088	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+Na+K"	61.952376
"1675613"	121.015488	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Na+K"	61.952376
"261770"	424.172968	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+ACN+Na"	64.015768
"1235574"	244.094368	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+ACN+Na"	64.015768
"1721543"	244.117893	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+NH4+HCOOH"	64.039293
"1185805"	83.015418	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+3Na"	68.967654
"1657885"	249.073288	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Na+HCOOH"	68.994688
"168026"	437.07624	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+2K-H"	76.91904
"606494"	617.15484	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+2K-H"	76.91904
"1085901"	256.99764	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2K-H"	76.91904
"147822"	219.041758	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"2M+2K"	77.926316
"586287"	309.081058	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"3M+2K"	77.926316
"1069015"	129.002458	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2K"	77.926316
"1101092"	259.012192	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2K+H"	78.933592
"1339663"	259.099807	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+DMSO+H"	79.021207
"1014391"	263.138976	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2ACN+H"	83.060376
"1531423"	264.132608	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+IsoProp+Na+H"	84.054008
"996776"	132.073126	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+2ACN+2H"	84.067652
"1593466"	265.047228	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+K+HCOOH"	84.968628
"1415846"	295.078738	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+H+CF3COOH"	115.000138
"1147713"	152.586401	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+3ACN+2H"	125.094202
"1702249"	312.105285	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+NH4+CF3COOH"	132.026685
"1634619"	317.06068	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+Na+CF3COOH"	136.98208
"1574647"	333.03462	"C20343"	"Isopropylparaben;Isopropyl 4-hydroxybenzoate"	"C10H12O3"	"180.0786"	"M+K+CF3COOH"	152.95602
"810483"	603.9269	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M"	0
"978548"	584.90851	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-H2O-H"	-19.01839
"78255"	401.610657333333	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M-3H"	-3.021828
"516193"	602.919624	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M-3H"	-3.021828
"888530"	200.301690666667	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-3H"	-3.021828
"6011"	602.919624	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H"	-2.014552
"447759"	904.883074	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H"	-2.014552
"823373"	300.956174	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-2H"	-2.014552
"85552"	1206.846524	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M-H"	-1.007276
"531678"	1810.773424	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M-H"	-1.007276
"907294"	602.919624	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-H"	-1.007276
"59481"	1223.873071	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H+NH4"	16.019271
"496857"	1827.799971	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H+NH4"	16.019271
"876846"	619.946171	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-2H+NH4"	16.019271
"37094"	1228.828466	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H+Na"	20.974666
"485401"	1832.755366	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H+Na"	20.974666
"862839"	624.901566	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-2H+Na"	20.974666
"1632737"	624.901566	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Na-2H"	20.974666
"99429"	620.907963	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M-H+Cl"	33.962126
"541175"	922.871413	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M-H+Cl"	33.962126
"940155"	318.944513	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-H+Cl"	33.962126
"281146"	1242.823202	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+Cl"	34.969402
"664573"	1846.750102	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+Cl"	34.969402
"1275883"	638.896302	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl"	34.969402
"23905"	1244.802406	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M-2H+K"	36.948606
"461279"	1848.729306	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M-2H+K"	36.948606
"839078"	640.875506	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-2H+K"	36.948606
"1559290"	640.875506	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+K-2H"	36.948606
"950456"	648.925094	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-H+HCOOH"	44.998194
"374141"	1252.852001	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+HCOOH-H"	44.998201
"358025"	1266.867651	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+Hac-H"	59.013851
"1506863"	662.940751	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Hac-H"	59.013851
"972221"	670.907051	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-H+NaCOOH"	66.980151
"123322"	638.896302	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+2Cl"	69.938804
"564220"	940.859752	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+2Cl"	69.938804
"1033140"	336.932852	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2Cl"	69.938804
"1254902"	682.845785	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Br"	78.918885
"1315890"	684.901772	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl+HCOOH"	80.974872
"1329014"	706.883729	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl+NaCOOH"	102.956829
"924817"	716.912486	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M-H+CF3COOH"	112.985586
"1302978"	752.889164	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Cl+CF3COOH"	148.962264
"1379681"	568.914224	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H-2H2O"	-35.012676
"1393532"	586.9242	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H-H2O"	-17.0027
"289937"	1208.861076	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+H"	1.007276
"681264"	1812.787976	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+H"	1.007276
"1356520"	604.934176	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H"	1.007276
"137428"	604.934176	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+2H"	2.014552
"578080"	906.897626	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+2H"	2.014552
"1051256"	302.970726	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2H"	2.014552
"216975"	403.625209333333	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+3H"	3.021828
"651793"	604.934176	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+3H"	3.021828
"1167737"	202.316242666667	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+3H"	3.021828
"426634"	1225.887623	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+NH4"	18.033823
"795285"	1829.814523	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+NH4"	18.033823
"1693804"	621.960723	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+NH4"	18.033823
"343907"	613.4474495	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+H+NH4"	19.041099
"737057"	915.4108995	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+H+NH4"	19.041099
"1491246"	311.4839995	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H+NH4"	19.041099
"405913"	1230.843018	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+Na"	22.989218
"758161"	1834.769918	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+Na"	22.989218
"1610632"	626.916118	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Na"	22.989218
"317751"	615.925147	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+H+Na"	23.996494
"709199"	917.888597	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+H+Na"	23.996494
"1463627"	313.961697	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H+Na"	23.996494
"1059427"	209.643556666667	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2H+Na"	25.00377
"1265116"	636.960386	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+CH3OH+H"	33.033486
"380777"	1246.816958	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+K"	38.963158
"747970"	1850.743858	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+K"	38.963158
"1546743"	642.890058	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+K"	38.963158
"308294"	623.912117	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+H+K"	39.970434
"700716"	925.875567	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+H+K"	39.970434
"1453444"	321.948667	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H+K"	39.970434
"239859"	1249.887626	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+ACN+H"	42.033826
"1211472"	645.960726	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+ACN+H"	42.033826
"1195715"	323.484001	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+ACN+2H"	43.041102
"190048"	1252.82496	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+2Na-H"	44.97116
"636539"	1856.75186	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+2Na-H"	44.97116
"1134578"	648.89806	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2Na-H"	44.97116
"181152"	626.916118	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+2Na"	45.978436
"618891"	928.879568	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+2Na"	45.978436
"1125313"	324.952668	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2Na"	45.978436
"1405559"	216.970870666667	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H+2Na"	46.985712
"1439862"	650.939646	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H+HCOOH"	47.012746
"227367"	631.94914	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+3H2O+2H"	56.04448
"1518710"	664.99169	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+IsoProp+H"	61.06479
"410742"	634.903088	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+Na+K"	61.952376
"777206"	936.866538	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+Na+K"	61.952376
"1674629"	332.939638	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Na+K"	61.952376
"260056"	1271.869568	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+ACN+Na"	64.015768
"1232765"	667.942668	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+ACN+Na"	64.015768
"1720560"	667.966193	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+NH4+HCOOH"	64.039293
"1187009"	224.298184666667	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+3Na"	68.967654
"1659087"	672.921588	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Na+HCOOH"	68.994688
"163762"	1284.77284	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+2K-H"	76.91904
"603322"	1888.69974	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+2K-H"	76.91904
"1086377"	680.84594	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2K-H"	76.91904
"147202"	642.890058	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"2M+2K"	77.926316
"583115"	944.853508	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"3M+2K"	77.926316
"1071272"	340.926608	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2K"	77.926316
"1102657"	682.860492	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2K+H"	78.933592
"1339409"	682.948107	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+DMSO+H"	79.021207
"1015594"	686.987276	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2ACN+H"	83.060376
"1531532"	687.980908	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+IsoProp+Na+H"	84.054008
"996887"	343.997276	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+2ACN+2H"	84.067652
"1590296"	688.895528	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+K+HCOOH"	84.968628
"1415955"	718.927038	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+H+CF3COOH"	115.000138
"1148796"	364.510551	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+3ACN+2H"	125.094202
"1697496"	735.953585	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+NH4+CF3COOH"	132.026685
"1634850"	740.90898	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+Na+CF3COOH"	136.98208
"1572931"	756.88292	"C20344"	"New coccine;CI Acid red 18;Food red No102"	"C20H11N2O10S33Na"	"603.9269"	"M+K+CF3COOH"	152.95602
"809500"	166.0395	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M"	0
"977565"	147.02111	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-H2O-H"	-19.01839
"74558"	109.685724	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M-3H"	-3.021828
"515211"	165.032224	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M-3H"	-3.021828
"888640"	54.339224	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-3H"	-3.021828
"6122"	165.032224	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H"	-2.014552
"447869"	248.051974	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H"	-2.014552
"822390"	82.012474	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H"	-2.014552
"83476"	331.071724	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M-H"	-1.007276
"531667"	497.111224	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M-H"	-1.007276
"909836"	165.032224	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-H"	-1.007276
"59591"	348.098271	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H+NH4"	16.019271
"499155"	514.137771	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H+NH4"	16.019271
"878050"	182.058771	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H+NH4"	16.019271
"44858"	353.053666	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H+Na"	20.974666
"485147"	519.093166	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H+Na"	20.974666
"862220"	187.014166	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H+Na"	20.974666
"1631754"	187.014166	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na-2H"	20.974666
"105007"	183.020563	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M-H+Cl"	33.962126
"543471"	266.040313	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M-H+Cl"	33.962126
"939172"	100.000813	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+Cl"	33.962126
"280894"	367.048402	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Cl"	34.969402
"673431"	533.087902	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+Cl"	34.969402
"1279273"	201.008902	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl"	34.969402
"26202"	369.027606	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H+K"	36.948606
"462482"	535.067106	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H+K"	36.948606
"841377"	202.988106	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H+K"	36.948606
"1560494"	202.988106	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+K-2H"	36.948606
"948380"	211.037694	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+HCOOH"	44.998194
"373160"	377.077201	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+HCOOH-H"	44.998201
"352667"	391.092851	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Hac-H"	59.013851
"1504782"	225.053351	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Hac-H"	59.013851
"972695"	233.019651	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+NaCOOH"	66.980151
"125257"	201.008902	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2Cl"	69.938804
"564088"	284.028652	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2Cl"	69.938804
"1033250"	117.989152	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2Cl"	69.938804
"1254650"	244.958385	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Br"	78.918885
"1319732"	247.014372	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl+HCOOH"	80.974872
"1335322"	268.996329	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl+NaCOOH"	102.956829
"926950"	279.025086	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+CF3COOH"	112.985586
"1304126"	315.001764	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl+CF3COOH"	148.962264
"1382628"	131.026824	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H-2H2O"	-35.012676
"1398405"	149.0368	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H-H2O"	-17.0027
"294422"	333.086276	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H"	1.007276
"684655"	499.125776	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H"	1.007276
"1362096"	167.046776	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H"	1.007276
"138997"	167.046776	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2H"	2.014552
"580380"	250.066526	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2H"	2.014552
"1051366"	84.027026	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2H"	2.014552
"217087"	111.700276	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+3H"	3.021828
"653731"	167.046776	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+3H"	3.021828
"1172220"	56.353776	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+3H"	3.021828
"424325"	350.112823	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+NH4"	18.033823
"786278"	516.152323	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+NH4"	18.033823
"1693554"	184.073323	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+NH4"	18.033823
"344017"	175.5600495	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H+NH4"	19.041099
"737538"	258.5797995	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H+NH4"	19.041099
"1492084"	92.5402995	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+NH4"	19.041099
"407119"	355.068218	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Na"	22.989218
"768113"	521.107718	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+Na"	22.989218
"1616211"	189.028718	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na"	22.989218
"322967"	178.037747	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H+Na"	23.996494
"711013"	261.057497	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H+Na"	23.996494
"1465928"	95.017997	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+Na"	23.996494
"1061363"	63.68109	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2H+Na"	25.00377
"1266323"	199.072986	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+CH3OH+H"	33.033486
"390365"	371.042158	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+K"	38.963158
"753184"	537.081658	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+K"	38.963158
"1550135"	205.002658	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+K"	38.963158
"308406"	186.024717	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H+K"	39.970434
"701923"	269.044467	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H+K"	39.970434
"1454648"	103.004967	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+K"	39.970434
"241062"	374.112826	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+ACN+H"	42.033826
"1214864"	208.073326	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+ACN+H"	42.033826
"1195219"	104.540301	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+ACN+2H"	43.041102
"197088"	377.05016	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2Na-H"	44.97116
"637742"	543.08966	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2Na-H"	44.97116
"1142708"	211.01066	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2Na-H"	44.97116
"185638"	189.028718	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2Na"	45.978436
"620822"	272.048468	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2Na"	45.978436
"1127611"	106.008968	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2Na"	45.978436
"1405667"	71.008404	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+2Na"	46.985712
"1436691"	213.052246	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+HCOOH"	47.012746
"227480"	194.06174	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+3H2O+2H"	56.04448
"1513355"	227.10429	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+IsoProp+H"	61.06479
"414133"	197.015688	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Na+K"	61.952376
"781325"	280.035438	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+Na+K"	61.952376
"1675833"	113.995938	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na+K"	61.952376
"257978"	396.094768	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+ACN+Na"	64.015768
"1232877"	230.055268	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+ACN+Na"	64.015768
"1722854"	230.078793	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+NH4+HCOOH"	64.039293
"1188939"	78.335718	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+3Na"	68.967654
"1658103"	235.034188	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na+HCOOH"	68.994688
"167151"	408.99804	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2K-H"	76.91904
"603432"	575.03754	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2K-H"	76.91904
"1092318"	242.95854	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2K-H"	76.91904
"149135"	205.002658	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2K"	77.926316
"583592"	288.022408	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2K"	77.926316
"1071385"	121.982908	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2K"	77.926316
"1103133"	244.973092	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2K+H"	78.933592
"1338789"	245.060707	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+DMSO+H"	79.021207
"1009143"	249.099876	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2ACN+H"	83.060376
"1531642"	250.093508	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+IsoProp+Na+H"	84.054008
"994810"	125.053576	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+2ACN+2H"	84.067652
"1593686"	251.008128	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+K+HCOOH"	84.968628
"1417523"	281.039638	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+CF3COOH"	115.000138
"1149270"	145.566851	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+3ACN+2H"	125.094202
"1698093"	298.066185	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+NH4+CF3COOH"	132.026685
"1634839"	303.02158	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na+CF3COOH"	136.98208
"1572312"	318.99552	"C20345"	"Isopentenyl phosphate"	"C5H11O4P"	"166.0395"	"M+K+CF3COOH"	152.95602
"810703"	466.9834	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M"	0
"986423"	447.96501	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-H2O-H"	-19.01839
"73574"	310.314990666667	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M-3H"	-3.021828
"512042"	465.976124	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M-3H"	-3.021828
"889843"	154.653857333333	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-3H"	-3.021828
"13887"	465.976124	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M-2H"	-2.014552
"445792"	699.467824	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M-2H"	-2.014552
"824686"	232.484424	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-2H"	-2.014552
"81400"	932.959524	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M-H"	-1.007276
"527523"	1399.942924	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M-H"	-1.007276
"907513"	465.976124	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-H"	-1.007276
"54233"	949.986071	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M-2H+NH4"	16.019271
"498168"	1416.969471	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M-2H+NH4"	16.019271
"878407"	483.002671	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-2H+NH4"	16.019271
"45335"	954.941466	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M-2H+Na"	20.974666
"485989"	1421.924866	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M-2H+Na"	20.974666
"862701"	487.958066	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-2H+Na"	20.974666
"1633205"	487.958066	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Na-2H"	20.974666
"108397"	483.964463	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M-H+Cl"	33.962126
"546863"	717.456163	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M-H+Cl"	33.962126
"940747"	250.472763	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-H+Cl"	33.962126
"276748"	968.936202	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+Cl"	34.969402
"670263"	1435.919602	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+Cl"	34.969402
"1282665"	501.952802	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Cl"	34.969402
"25948"	970.915406	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M-2H+K"	36.948606
"463686"	1437.898806	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M-2H+K"	36.948606
"841488"	503.932006	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-2H+K"	36.948606
"1561698"	503.932006	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+K-2H"	36.948606
"947397"	511.981594	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-H+HCOOH"	44.998194
"375092"	978.965001	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+HCOOH-H"	44.998201
"352777"	992.980651	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+Hac-H"	59.013851
"1505621"	525.997251	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Hac-H"	59.013851
"973533"	533.963551	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-H+NaCOOH"	66.980151
"124271"	501.952802	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+2Cl"	69.938804
"564196"	735.444502	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+2Cl"	69.938804
"1036034"	268.461102	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2Cl"	69.938804
"1254395"	545.902285	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Br"	78.918885
"1319153"	547.958272	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Cl+HCOOH"	80.974872
"1333974"	569.940229	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Cl+NaCOOH"	102.956829
"926492"	579.968986	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M-H+CF3COOH"	112.985586
"1304164"	615.945664	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Cl+CF3COOH"	148.962264
"1378442"	431.970724	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H-2H2O"	-35.012676
"1394845"	449.9807	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H-H2O"	-17.0027
"295260"	934.974076	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+H"	1.007276
"685493"	1401.957476	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+H"	1.007276
"1361841"	467.990676	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H"	1.007276
"139836"	467.990676	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+2H"	2.014552
"579395"	701.482376	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+2H"	2.014552
"1050018"	234.498976	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2H"	2.014552
"217925"	312.329542666667	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+3H"	3.021828
"652018"	467.990676	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+3H"	3.021828
"1164672"	156.668409333333	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+3H"	3.021828
"427214"	952.000623	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+NH4"	18.033823
"787237"	1418.984023	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+NH4"	18.033823
"1685275"	485.017223	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+NH4"	18.033823
"343398"	476.5039495	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+H+NH4"	19.041099
"734727"	709.9956495	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+H+NH4"	19.041099
"1492192"	243.0122495	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H+NH4"	19.041099
"399573"	956.956018	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+Na"	22.989218
"767981"	1423.939418	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+Na"	22.989218
"1610853"	489.972618	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Na"	22.989218
"317608"	478.981647	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+H+Na"	23.996494
"710031"	712.473347	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+H+Na"	23.996494
"1471505"	245.489947	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H+Na"	23.996494
"1059288"	163.995723333333	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2H+Na"	25.00377
"1269714"	500.016886	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+CH3OH+H"	33.033486
"388289"	972.929958	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+K"	38.963158
"748191"	1439.913358	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+K"	38.963158
"1546964"	505.946558	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+K"	38.963158
"309609"	486.968617	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+H+K"	39.970434
"704948"	720.460317	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+H+K"	39.970434
"1458768"	253.476917	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H+K"	39.970434
"242266"	976.000626	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+ACN+H"	42.033826
"1217161"	509.017226	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+ACN+H"	42.033826
"1195090"	255.012251	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+ACN+2H"	43.041102
"197198"	978.93796	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+2Na-H"	44.97116
"641134"	1445.92136	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+2Na-H"	44.97116
"1142453"	511.95456	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2Na-H"	44.97116
"186602"	489.972618	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+2Na"	45.978436
"622027"	723.464318	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+2Na"	45.978436
"1126628"	256.480918	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2Na"	45.978436
"1411609"	171.323037333333	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H+2Na"	46.985712
"1442634"	513.996146	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H+HCOOH"	47.012746
"230869"	495.00564	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+3H2O+2H"	56.04448
"1516746"	528.04819	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+IsoProp+H"	61.06479
"412422"	497.959588	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+Na+K"	61.952376
"781436"	731.451288	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+Na+K"	61.952376
"1677037"	264.467888	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Na+K"	61.952376
"260277"	997.982568	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+ACN+Na"	64.015768
"1238089"	530.999168	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+ACN+Na"	64.015768
"1720781"	531.022693	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+NH4+HCOOH"	64.039293
"1185042"	178.650351333333	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+3Na"	68.967654
"1658216"	535.978088	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Na+HCOOH"	68.994688
"163984"	1010.88584	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+2K-H"	76.91904
"601357"	1477.86924	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+2K-H"	76.91904
"1089152"	543.90244	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2K-H"	76.91904
"151432"	505.946558	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"2M+2K"	77.926316
"585889"	739.438258	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"3M+2K"	77.926316
"1075505"	272.454858	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2K"	77.926316
"1110900"	545.916992	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2K+H"	78.933592
"1342909"	546.004607	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+DMSO+H"	79.021207
"1015814"	550.043776	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2ACN+H"	83.060376
"1535034"	551.037408	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+IsoProp+Na+H"	84.054008
"997108"	275.525526	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+2ACN+2H"	84.067652
"1594892"	551.952028	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+K+HCOOH"	84.968628
"1424926"	581.983538	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+H+CF3COOH"	115.000138
"1151935"	296.038801	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+3ACN+2H"	125.094202
"1700394"	599.010085	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+NH4+CF3COOH"	132.026685
"1635069"	603.96548	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+Na+CF3COOH"	136.98208
"1573882"	619.93942	"C20346"	"CI Acid red 33;Azofuchsin"	"C16H11N3O7S22Na"	"466.9834"	"M+K+CF3COOH"	152.95602
"810813"	1015.463	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M"	0
"981066"	996.44461	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-H2O-H"	-19.01839
"71497"	675.968057333333	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M-3H"	-3.021828
"508872"	1014.455724	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M-3H"	-3.021828
"885580"	337.480390666667	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-3H"	-3.021828
"9623"	1014.455724	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M-2H"	-2.014552
"440515"	1522.187224	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M-2H"	-2.014552
"820422"	506.724224	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-2H"	-2.014552
"79079"	2029.918724	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M-H"	-1.007276
"520343"	3045.381724	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M-H"	-1.007276
"898875"	1014.455724	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-H"	-1.007276
"47456"	2046.945271	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M-2H+NH4"	16.019271
"494998"	3062.408271	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M-2H+NH4"	16.019271
"879246"	1031.482271	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-2H+NH4"	16.019271
"43984"	2051.900666	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M-2H+Na"	20.974666
"486100"	3067.363666	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M-2H+Na"	20.974666
"861719"	1036.437666	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-2H+Na"	20.974666
"1631980"	1036.437666	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Na-2H"	20.974666
"106320"	1032.444063	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M-H+Cl"	33.962126
"545880"	1540.175563	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M-H+Cl"	33.962126
"940855"	524.712563	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-H+Cl"	33.962126
"273578"	2065.895402	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+Cl"	34.969402
"667093"	3081.358402	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+Cl"	34.969402
"1286055"	1050.432402	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Cl"	34.969402
"23142"	2067.874606	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M-2H+K"	36.948606
"461609"	3083.337606	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M-2H+K"	36.948606
"841598"	1052.411606	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-2H+K"	36.948606
"1559621"	1052.411606	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+K-2H"	36.948606
"950785"	1060.461194	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-H+HCOOH"	44.998194
"373379"	2075.924201	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+HCOOH-H"	44.998201
"352887"	2089.939851	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+Hac-H"	59.013851
"1503909"	1074.476851	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Hac-H"	59.013851
"973644"	1082.443151	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-H+NaCOOH"	66.980151
"124260"	1050.432402	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+2Cl"	69.938804
"564307"	1558.163902	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+2Cl"	69.938804
"1035656"	542.700902	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2Cl"	69.938804
"1255236"	1094.381885	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Br"	78.918885
"1319138"	1096.437872	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Cl+HCOOH"	80.974872
"1333720"	1118.419829	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Cl+NaCOOH"	102.956829
"926999"	1128.448586	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M-H+CF3COOH"	112.985586
"1303677"	1164.425264	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Cl+CF3COOH"	148.962264
"1378552"	980.450324	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H-2H2O"	-35.012676
"1391674"	998.4603	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H-H2O"	-17.0027
"295370"	2031.933276	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+H"	1.007276
"684874"	3047.396276	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+H"	1.007276
"1361952"	1016.470276	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H"	1.007276
"136664"	1016.470276	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+2H"	2.014552
"573306"	1524.201776	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+2H"	2.014552
"1051222"	508.738776	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2H"	2.014552
"216576"	677.982609333333	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+3H"	3.021828
"648846"	1016.470276	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+3H"	3.021828
"1168063"	339.494942666667	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+3H"	3.021828
"424532"	2048.959823	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+NH4"	18.033823
"786376"	3064.422823	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+NH4"	18.033823
"1688665"	1033.496823	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+NH4"	18.033823
"340228"	1024.9835495	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+H+NH4"	19.041099
"734838"	1532.7150495	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+H+NH4"	19.041099
"1486469"	517.2520495	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H+NH4"	19.041099
"404057"	2053.915218	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+Na"	22.989218
"768333"	3069.378218	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+Na"	22.989218
"1610963"	1038.452218	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Na"	22.989218
"317354"	1027.461247	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+H+Na"	23.996494
"713421"	1535.192747	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+H+Na"	23.996494
"1471615"	519.729747	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H+Na"	23.996494
"1059398"	346.822256666667	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2H+Na"	25.00377
"1270917"	1048.496486	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+CH3OH+H"	33.033486
"388399"	2069.889158	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+K"	38.963158
"745021"	3085.352158	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+K"	38.963158
"1550354"	1054.426158	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+K"	38.963158
"310812"	1035.448217	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+H+K"	39.970434
"699957"	1543.179717	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+H+K"	39.970434
"1457057"	527.716717	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H+K"	39.970434
"240190"	2072.959826	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+ACN+H"	42.033826
"1213992"	1057.496826	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+ACN+H"	42.033826
"1194388"	529.252051	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+ACN+2H"	43.041102
"194028"	2075.89716	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+2Na-H"	44.97116
"640151"	3091.36016	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+2Na-H"	44.97116
"1142563"	1060.43416	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2Na-H"	44.97116
"186951"	1038.452218	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+2Na"	45.978436
"621043"	1546.183718	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+2Na"	45.978436
"1127831"	530.720718	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2Na"	45.978436
"1411353"	354.149570666667	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H+2Na"	46.985712
"1432900"	1062.475746	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H+HCOOH"	47.012746
"228793"	1043.48524	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+3H2O+2H"	56.04448
"1516856"	1076.52779	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+IsoProp+H"	61.06479
"412168"	1046.439188	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+Na+K"	61.952376
"781546"	1554.170688	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+Na+K"	61.952376
"1677148"	538.707688	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Na+K"	61.952376
"261481"	2094.941768	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+ACN+Na"	64.015768
"1239292"	1079.478768	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+ACN+Na"	64.015768
"1723077"	1079.502293	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+NH4+HCOOH"	64.039293
"1189526"	361.476884666667	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+3Na"	68.967654
"1656139"	1084.457688	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Na+HCOOH"	68.994688
"164094"	2107.84504	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+2K-H"	76.91904
"602561"	3123.30804	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+2K-H"	76.91904
"1089262"	1092.38204	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2K-H"	76.91904
"148262"	1054.426158	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"2M+2K"	77.926316
"584905"	1562.157658	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"3M+2K"	77.926316
"1072334"	546.694658	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2K"	77.926316
"1107729"	1094.396592	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2K+H"	78.933592
"1339739"	1094.484207	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+DMSO+H"	79.021207
"1015924"	1098.523376	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2ACN+H"	83.060376
"1534051"	1099.517008	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+IsoProp+Na+H"	84.054008
"995031"	549.765326	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+2ACN+2H"	84.067652
"1591722"	1100.431628	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+K+HCOOH"	84.968628
"1422849"	1130.463138	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+H+CF3COOH"	115.000138
"1148765"	570.278601	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+3ACN+2H"	125.094202
"1699410"	1147.489685	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+NH4+CF3COOH"	132.026685
"1634326"	1152.44508	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+Na+CF3COOH"	136.98208
"1573263"	1168.41902	"C20347"	"Rose bengal;Tetrachlorotetraiodofluorescein disodium salt"	"C20H2Cl4I4O52Na"	"1015.463"	"M+K+CF3COOH"	152.95602
"809830"	580.1314	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M"	0
"977896"	561.11301	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-H2O-H"	-19.01839
"69420"	385.746990666667	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M-3H"	-3.021828
"508982"	579.124124	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M-3H"	-3.021828
"883503"	192.369857333333	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-3H"	-3.021828
"8640"	579.124124	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M-2H"	-2.014552
"440787"	869.189824	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M-2H"	-2.014552
"819439"	289.058424	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-2H"	-2.014552
"79553"	1159.255524	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M-H"	-1.007276
"519357"	1739.386924	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M-H"	-1.007276
"897891"	579.124124	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-H"	-1.007276
"47645"	1176.282071	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M-2H+NH4"	16.019271
"497294"	1756.413471	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M-2H+NH4"	16.019271
"878018"	596.150671	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-2H+NH4"	16.019271
"44094"	1181.237466	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M-2H+Na"	20.974666
"486212"	1761.368866	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M-2H+Na"	20.974666
"862558"	601.106066	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-2H+Na"	20.974666
"1631727"	601.106066	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Na-2H"	20.974666
"106430"	597.112463	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M-H+Cl"	33.962126
"544897"	887.178163	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M-H+Cl"	33.962126
"940965"	307.046763	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-H+Cl"	33.962126
"276967"	1195.232202	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+Cl"	34.969402
"669388"	1775.363602	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+Cl"	34.969402
"1285071"	615.100802	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Cl"	34.969402
"24345"	1197.211406	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M-2H+K"	36.948606
"462812"	1777.342806	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M-2H+K"	36.948606
"841708"	617.080006	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-2H+K"	36.948606
"1559731"	617.080006	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+K-2H"	36.948606
"947614"	625.129594	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-H+HCOOH"	44.998194
"371301"	1205.261001	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+HCOOH-H"	44.998201
"352997"	1219.276651	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+Hac-H"	59.013851
"1504019"	639.145251	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Hac-H"	59.013851
"971928"	647.111551	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-H+NaCOOH"	66.980151
"124490"	615.100802	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+2Cl"	69.938804
"564778"	905.166502	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+2Cl"	69.938804
"1036737"	325.035102	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2Cl"	69.938804
"1254979"	659.050285	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Br"	78.918885
"1319251"	661.106272	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Cl+HCOOH"	80.974872
"1335372"	683.088229	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Cl+NaCOOH"	102.956829
"926877"	693.116986	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M-H+CF3COOH"	112.985586
"1303175"	729.093664	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Cl+CF3COOH"	148.962264
"1382065"	545.118724	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H-2H2O"	-35.012676
"1391784"	563.1287	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H-H2O"	-17.0027
"292563"	1161.270076	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+H"	1.007276
"681703"	1741.401476	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+H"	1.007276
"1358051"	581.138676	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H"	1.007276
"133858"	581.138676	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+2H"	2.014552
"573781"	871.204376	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+2H"	2.014552
"1051576"	291.072976	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2H"	2.014552
"218140"	387.761542666667	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+3H"	3.021828
"655515"	581.138676	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+3H"	3.021828
"1165987"	194.384409333333	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+3H"	3.021828
"424887"	1178.296623	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+NH4"	18.033823
"786241"	1758.428023	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+NH4"	18.033823
"1688775"	598.165223	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+NH4"	18.033823
"339245"	589.6519495	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+H+NH4"	19.041099
"731668"	879.7176495	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+H+NH4"	19.041099
"1486579"	299.5862495	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H+NH4"	19.041099
"404167"	1183.252018	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+Na"	22.989218
"767350"	1763.383418	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+Na"	22.989218
"1607793"	603.120618	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Na"	22.989218
"318192"	592.129647	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+H+Na"	23.996494
"713531"	882.195347	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+H+Na"	23.996494
"1471725"	302.063947	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H+Na"	23.996494
"1059508"	201.711723333333	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2H+Na"	25.00377
"1267747"	613.164886	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+CH3OH+H"	33.033486
"385228"	1199.225958	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+K"	38.963158
"742944"	1779.357358	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+K"	38.963158
"1547184"	619.094558	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+K"	38.963158
"306548"	600.116617	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+H+K"	39.970434
"700063"	890.182317	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+H+K"	39.970434
"1450600"	310.050917	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H+K"	39.970434
"237745"	1202.296626	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+ACN+H"	42.033826
"1210692"	622.165226	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+ACN+H"	42.033826
"1194373"	311.586251	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+ACN+2H"	43.041102
"188787"	1205.23396	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+2Na-H"	44.97116
"629444"	1785.36536	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+2Na-H"	44.97116
"1141579"	625.10256	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2Na-H"	44.97116
"177943"	603.120618	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+2Na"	45.978436
"622247"	893.186318	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+2Na"	45.978436
"1126848"	313.054918	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2Na"	45.978436
"1412193"	209.039037333333	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H+2Na"	46.985712
"1444313"	627.144146	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H+HCOOH"	47.012746
"231089"	608.15364	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+3H2O+2H"	56.04448
"1516966"	641.19619	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+IsoProp+H"	61.06479
"413735"	611.107588	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+Na+K"	61.952376
"783479"	901.173288	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+Na+K"	61.952376
"1677258"	321.041888	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Na+K"	61.952376
"262684"	1224.278568	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+ACN+Na"	64.015768
"1239402"	644.147168	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+ACN+Na"	64.015768
"1725009"	644.170693	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+NH4+HCOOH"	64.039293
"1188541"	216.366351333333	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+3Na"	68.967654
"1657342"	649.126088	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Na+HCOOH"	68.994688
"165295"	1237.18184	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+2K-H"	76.91904
"604856"	1817.31324	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+2K-H"	76.91904
"1089372"	657.05044	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2K-H"	76.91904
"148371"	619.094558	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"2M+2K"	77.926316
"582585"	909.160258	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"3M+2K"	77.926316
"1074630"	329.028858	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2K"	77.926316
"1103465"	659.064992	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2K+H"	78.933592
"1339849"	659.152607	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+DMSO+H"	79.021207
"1012754"	663.191776	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2ACN+H"	83.060376
"1531974"	664.185408	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+IsoProp+Na+H"	84.054008
"996234"	332.099526	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+2ACN+2H"	84.067652
"1591832"	665.100028	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+K+HCOOH"	84.968628
"1420773"	695.131538	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+H+CF3COOH"	115.000138
"1149968"	352.612801	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+3ACN+2H"	125.094202
"1699520"	712.158085	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+NH4+CF3COOH"	132.026685
"1634162"	717.11348	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+Na+CF3COOH"	136.98208
"1572280"	733.08742	"C20348"	"Lissamine rhodamine B"	"C27H29N2O7S2Na"	"580.1314"	"M+K+CF3COOH"	152.95602
"809940"	476.9565	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M"	0
"978006"	457.93811	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-H2O-H"	-19.01839
"69530"	316.963724	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M-3H"	-3.021828
"510185"	475.949224	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M-3H"	-3.021828
"883613"	157.978224	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-3H"	-3.021828
"10936"	475.949224	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M-2H"	-2.014552
"440085"	714.427474	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M-2H"	-2.014552
"818454"	237.470974	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-2H"	-2.014552
"79905"	952.905724	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M-H"	-1.007276
"520197"	1429.862224	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M-H"	-1.007276
"896177"	475.949224	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-H"	-1.007276
"50182"	969.932271	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M-2H+NH4"	16.019271
"489020"	1446.888771	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M-2H+NH4"	16.019271
"869739"	492.975771	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-2H+NH4"	16.019271
"42018"	974.887666	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M-2H+Na"	20.974666
"482671"	1451.844166	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M-2H+Na"	20.974666
"858285"	497.931166	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-2H+Na"	20.974666
"1626724"	497.931166	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Na-2H"	20.974666
"105446"	493.937563	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M-H+Cl"	33.962126
"541723"	732.415813	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M-H+Cl"	33.962126
"936330"	255.459313	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-H+Cl"	33.962126
"277076"	988.882402	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+Cl"	34.969402
"669496"	1465.838902	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+Cl"	34.969402
"1280806"	511.925902	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Cl"	34.969402
"20081"	990.861606	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M-2H+K"	36.948606
"464016"	1467.818106	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M-2H+K"	36.948606
"838537"	513.905106	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-2H+K"	36.948606
"1559841"	513.905106	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+K-2H"	36.948606
"949911"	521.954694	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-H+HCOOH"	44.998194
"372139"	998.911201	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+HCOOH-H"	44.998201
"354199"	1012.926851	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+Hac-H"	59.013851
"1504129"	535.970351	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Hac-H"	59.013851
"968390"	543.936651	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-H+NaCOOH"	66.980151
"124841"	511.925902	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+2Cl"	69.938804
"563791"	750.404152	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+2Cl"	69.938804
"1035508"	273.447652	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2Cl"	69.938804
"1256914"	555.875385	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Br"	78.918885
"1319239"	557.931372	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Cl+HCOOH"	80.974872
"1334794"	579.913329	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Cl+NaCOOH"	102.956829
"926664"	589.942086	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M-H+CF3COOH"	112.985586
"1303779"	625.918764	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Cl+CF3COOH"	148.962264
"1382297"	441.943824	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H-2H2O"	-35.012676
"1394810"	459.9538	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H-H2O"	-17.0027
"291580"	954.920276	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+H"	1.007276
"681813"	1431.876776	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+H"	1.007276
"1361441"	477.963776	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H"	1.007276
"137248"	477.963776	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+2H"	2.014552
"579360"	716.442026	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+2H"	2.014552
"1051446"	239.485526	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2H"	2.014552
"218615"	318.978276	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+3H"	3.021828
"658177"	477.963776	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+3H"	3.021828
"1166097"	159.992776	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+3H"	3.021828
"426090"	971.946823	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+NH4"	18.033823
"786473"	1448.903323	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+NH4"	18.033823
"1688885"	494.990323	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+NH4"	18.033823
"338264"	486.4770495	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+H+NH4"	19.041099
"730685"	724.9552995	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+H+NH4"	19.041099
"1483410"	247.9987995	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H+NH4"	19.041099
"400998"	976.902218	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+Na"	22.989218
"759805"	1453.858718	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+Na"	22.989218
"1607903"	499.945718	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Na"	22.989218
"316478"	488.954747	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+H+Na"	23.996494
"711453"	727.432997	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+H+Na"	23.996494
"1470742"	250.476497	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H+Na"	23.996494
"1059618"	167.32009	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2H+Na"	25.00377
"1267857"	509.989986	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+CH3OH+H"	33.033486
"384245"	992.876158	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+K"	38.963158
"744147"	1469.832658	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+K"	38.963158
"1545106"	515.919658	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+K"	38.963158
"307751"	496.941717	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+H+K"	39.970434
"700173"	735.419967	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+H+K"	39.970434
"1450710"	258.463467	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H+K"	39.970434
"238220"	995.946826	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+ACN+H"	42.033826
"1211412"	518.990326	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+ACN+H"	42.033826
"1194520"	259.998801	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+ACN+2H"	43.041102
"188856"	998.88416	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+2Na-H"	44.97116
"629190"	1475.84066	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+2Na-H"	44.97116
"1138409"	521.92766	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2Na-H"	44.97116
"177689"	499.945718	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+2Na"	45.978436
"624180"	738.423968	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+2Na"	45.978436
"1126958"	261.467468	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2Na"	45.978436
"1410116"	174.647404	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H+2Na"	46.985712
"1445153"	523.969246	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H+HCOOH"	47.012746
"230106"	504.97874	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+3H2O+2H"	56.04448
"1517076"	538.02129	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+IsoProp+H"	61.06479
"413481"	507.932688	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+Na+K"	61.952376
"783955"	746.410938	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+Na+K"	61.952376
"1680286"	269.454438	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Na+K"	61.952376
"263889"	1017.928768	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+ACN+Na"	64.015768
"1239876"	540.972268	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+ACN+Na"	64.015768
"1723298"	540.995793	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+NH4+HCOOH"	64.039293
"1187558"	181.974718	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+3Na"	68.967654
"1658546"	545.951188	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Na+HCOOH"	68.994688
"164312"	1030.83204	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+2K-H"	76.91904
"600593"	1507.78854	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+2K-H"	76.91904
"1089481"	553.87554	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2K-H"	76.91904
"149575"	515.919658	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"2M+2K"	77.926316
"584761"	754.397908	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"3M+2K"	77.926316
"1075834"	277.441408	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2K"	77.926316
"1107949"	555.890092	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2K+H"	78.933592
"1337771"	555.977707	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+DMSO+H"	79.021207
"1012864"	560.016876	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2ACN+H"	83.060376
"1530991"	561.010508	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+IsoProp+Na+H"	84.054008
"994158"	280.512076	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+2ACN+2H"	84.067652
"1591942"	561.925128	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+K+HCOOH"	84.968628
"1419789"	591.956638	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+H+CF3COOH"	115.000138
"1152265"	301.025351	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+3ACN+2H"	125.094202
"1699630"	608.983185	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+NH4+CF3COOH"	132.026685
"1634546"	613.93858	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+Na+CF3COOH"	136.98208
"1572026"	629.91252	"C20349"	"Quinoline yellow WS;CI Acid yellow 3"	"C18H9NO8S22Na"	"476.9565"	"M+K+CF3COOH"	152.95602
"814060"	323.1693	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M"	0
"982493"	304.15091	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-H2O-H"	-19.01839
"71828"	214.438924	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M-3H"	-3.021828
"507015"	322.162024	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M-3H"	-3.021828
"888097"	106.715824	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-3H"	-3.021828
"6671"	322.162024	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M-2H"	-2.014552
"442953"	483.746674	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M-2H"	-2.014552
"818320"	160.577374	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-2H"	-2.014552
"80378"	645.331324	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M-H"	-1.007276
"522497"	968.500624	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M-H"	-1.007276
"898112"	322.162024	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-H"	-1.007276
"51393"	662.357871	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M-2H+NH4"	16.019271
"497517"	985.527171	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M-2H+NH4"	16.019271
"874226"	339.188571	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-2H+NH4"	16.019271
"43221"	667.313266	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M-2H+Na"	20.974666
"481688"	990.482566	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M-2H+Na"	20.974666
"861314"	344.143966	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-2H+Na"	20.974666
"1630116"	344.143966	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Na-2H"	20.974666
"106648"	340.150363	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M-H+Cl"	33.962126
"542926"	501.735013	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M-H+Cl"	33.962126
"937536"	178.565713	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-H+Cl"	33.962126
"279372"	681.308002	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+Cl"	34.969402
"670699"	1004.477302	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+Cl"	34.969402
"1284926"	358.138702	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Cl"	34.969402
"25658"	683.287206	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M-2H+K"	36.948606
"467406"	1006.456506	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M-2H+K"	36.948606
"846303"	360.117906	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-2H+K"	36.948606
"1565418"	360.117906	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+K-2H"	36.948606
"954395"	368.167494	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-H+HCOOH"	44.998194
"371519"	691.336801	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+HCOOH-H"	44.998201
"355402"	705.352451	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+Hac-H"	59.013851
"1504239"	382.183151	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Hac-H"	59.013851
"968499"	390.149451	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-H+NaCOOH"	66.980151
"119595"	358.138702	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+2Cl"	69.938804
"564388"	519.723352	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+2Cl"	69.938804
"1036991"	196.554052	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2Cl"	69.938804
"1256788"	402.088185	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Br"	78.918885
"1318614"	404.144172	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Cl+HCOOH"	80.974872
"1334775"	426.126129	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Cl+NaCOOH"	102.956829
"926323"	436.154886	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M-H+CF3COOH"	112.985586
"1304153"	472.131564	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Cl+CF3COOH"	148.962264
"1381801"	288.156624	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H-2H2O"	-35.012676
"1395284"	306.1666	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H-H2O"	-17.0027
"290596"	647.345876	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+H"	1.007276
"688120"	970.515176	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+H"	1.007276
"1363011"	324.176576	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H"	1.007276
"141125"	324.176576	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+2H"	2.014552
"581299"	485.761226	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+2H"	2.014552
"1052636"	162.591926	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2H"	2.014552
"218723"	216.453476	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+3H"	3.021828
"659138"	324.176576	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+3H"	3.021828
"1167300"	108.730376	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+3H"	3.021828
"428385"	664.372423	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+NH4"	18.033823
"787557"	987.541723	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+NH4"	18.033823
"1684983"	341.203123	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+NH4"	18.033823
"335085"	332.6898495	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+H+NH4"	19.041099
"731887"	494.2744995	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+H+NH4"	19.041099
"1483521"	171.1051995	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H+NH4"	19.041099
"402201"	669.327818	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+Na"	22.989218
"758822"	992.497118	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+Na"	22.989218
"1608013"	346.158518	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Na"	22.989218
"318047"	335.167547	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+H+Na"	23.996494
"712656"	496.752197	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+H+Na"	23.996494
"1466478"	173.582897	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H+Na"	23.996494
"1066289"	116.05769	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2H+Na"	25.00377
"1267967"	356.202786	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+CH3OH+H"	33.033486
"387635"	685.301758	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+K"	38.963158
"745350"	1008.471058	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+K"	38.963158
"1548495"	362.132458	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+K"	38.963158
"306767"	343.154517	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+H+K"	39.970434
"701377"	504.739167	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+H+K"	39.970434
"1450822"	181.569867	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H+K"	39.970434
"238330"	688.372426	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+ACN+H"	42.033826
"1214321"	365.203126	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+ACN+H"	42.033826
"1198934"	183.105201	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+ACN+2H"	43.041102
"192899"	691.30976	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+2Na-H"	44.97116
"638293"	1014.47906	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+2Na-H"	44.97116
"1138519"	368.14046	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2Na-H"	44.97116
"178163"	346.158518	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+2Na"	45.978436
"621376"	507.743168	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+2Na"	45.978436
"1123787"	184.573868	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2Na"	45.978436
"1409498"	123.385004	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H+2Na"	46.985712
"1441248"	370.182046	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H+HCOOH"	47.012746
"232402"	351.19154	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+3H2O+2H"	56.04448
"1520465"	384.23409	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+IsoProp+H"	61.06479
"423430"	354.145488	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+Na+K"	61.952376
"785580"	515.730138	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+Na+K"	61.952376
"1677478"	192.560838	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Na+K"	61.952376
"265091"	710.354368	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+ACN+Na"	64.015768
"1237801"	387.185068	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+ACN+Na"	64.015768
"1725594"	387.208593	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+NH4+HCOOH"	64.039293
"1186575"	130.712318	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+3Na"	68.967654
"1656469"	392.163988	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Na+HCOOH"	68.994688
"163331"	723.25764	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+2K-H"	76.91904
"602890"	1046.42694	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+2K-H"	76.91904
"1090684"	400.08834	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2K-H"	76.91904
"149685"	362.132458	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"2M+2K"	77.926316
"584505"	523.717108	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"3M+2K"	77.926316
"1072663"	200.547808	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2K"	77.926316
"1105872"	402.102892	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2K+H"	78.933592
"1342258"	402.190507	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+DMSO+H"	79.021207
"1012975"	406.229676	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2ACN+H"	83.060376
"1526726"	407.223308	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+IsoProp+Na+H"	84.054008
"993175"	203.618476	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+2ACN+2H"	84.067652
"1588770"	408.137928	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+K+HCOOH"	84.968628
"1417713"	438.169438	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+H+CF3COOH"	115.000138
"1151282"	224.131751	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+3ACN+2H"	125.094202
"1703020"	455.195985	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+NH4+CF3COOH"	132.026685
"1636484"	460.15138	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+Na+CF3COOH"	136.98208
"1571400"	476.12532	"C20350"	"2-Deamino-2-hydroxyneamine"	"C12H25N3O7"	"323.1693"	"M+K+CF3COOH"	152.95602
"813441"	322.1376	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M"	0
"984789"	303.11921	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-H2O-H"	-19.01839
"71938"	213.751124	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M-3H"	-3.021828
"507125"	321.130324	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M-3H"	-3.021828
"887113"	106.371924	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-3H"	-3.021828
"11155"	321.130324	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M-2H"	-2.014552
"441970"	482.199124	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M-2H"	-2.014552
"817130"	160.061524	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-2H"	-2.014552
"80122"	643.267924	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M-H"	-1.007276
"519447"	965.405524	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M-H"	-1.007276
"899316"	321.130324	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-H"	-1.007276
"49681"	660.294471	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M-2H+NH4"	16.019271
"495441"	982.432071	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M-2H+NH4"	16.019271
"875429"	338.156871	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-2H+NH4"	16.019271
"42968"	665.249866	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M-2H+Na"	20.974666
"481799"	987.387466	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M-2H+Na"	20.974666
"861788"	343.112266	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-2H+Na"	20.974666
"1628040"	343.112266	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Na-2H"	20.974666
"104571"	339.118663	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M-H+Cl"	33.962126
"541943"	500.187463	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M-H+Cl"	33.962126
"939469"	178.049863	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-H+Cl"	33.962126
"278389"	679.244602	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+Cl"	34.969402
"669716"	1001.382202	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+Cl"	34.969402
"1285036"	357.107002	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Cl"	34.969402
"24675"	681.223806	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M-2H+K"	36.948606
"467516"	1003.361406	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M-2H+K"	36.948606
"844225"	359.086206	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-2H+K"	36.948606
"1567715"	359.086206	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+K-2H"	36.948606
"954505"	367.135794	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-H+HCOOH"	44.998194
"371629"	689.273401	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+HCOOH-H"	44.998201
"356605"	703.289051	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+Hac-H"	59.013851
"1504349"	381.151451	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Hac-H"	59.013851
"968607"	389.117751	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-H+NaCOOH"	66.980151
"117153"	357.107002	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+2Cl"	69.938804
"561088"	518.175802	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+2Cl"	69.938804
"1031708"	196.038202	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2Cl"	69.938804
"1252378"	401.056485	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Br"	78.918885
"1318114"	403.112472	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Cl+HCOOH"	80.974872
"1332695"	425.094429	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Cl+NaCOOH"	102.956829
"925457"	435.123186	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M-H+CF3COOH"	112.985586
"1301920"	471.099864	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Cl+CF3COOH"	148.962264
"1380081"	287.124924	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H-2H2O"	-35.012676
"1395394"	305.1349	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H-H2O"	-17.0027
"290706"	645.282476	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+H"	1.007276
"683127"	967.420076	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+H"	1.007276
"1359475"	323.144876	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H"	1.007276
"139290"	323.144876	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+2H"	2.014552
"576663"	484.213676	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+2H"	2.014552
"1049472"	162.076076	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2H"	2.014552
"217375"	215.765676	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+3H"	3.021828
"651471"	323.144876	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+3H"	3.021828
"1171782"	108.386476	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+3H"	3.021828
"429588"	662.309023	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+NH4"	18.033823
"787667"	984.446623	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+NH4"	18.033823
"1684729"	340.171423	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+NH4"	18.033823
"335195"	331.6581495	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+H+NH4"	19.041099
"729810"	492.7269495	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+H+NH4"	19.041099
"1483631"	170.5893495	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H+NH4"	19.041099
"403404"	667.264418	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+Na"	22.989218
"758932"	989.402018	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+Na"	22.989218
"1608487"	345.126818	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Na"	22.989218
"318886"	334.135847	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+H+Na"	23.996494
"711672"	495.204647	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+H+Na"	23.996494
"1464765"	173.067047	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H+Na"	23.996494
"1058744"	115.71379	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2H+Na"	25.00377
"1265890"	355.171086	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+CH3OH+H"	33.033486
"384465"	683.238358	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+K"	38.963158
"743274"	1005.375958	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+K"	38.963158
"1545325"	361.100758	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+K"	38.963158
"305784"	342.122817	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+H+K"	39.970434
"701487"	503.191617	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+H+K"	39.970434
"1448745"	181.054017	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H+K"	39.970434
"236007"	686.309026	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+ACN+H"	42.033826
"1212973"	364.171426	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+ACN+H"	42.033826
"1196857"	182.589351	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+ACN+2H"	43.041102
"191915"	689.24636	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+2Na-H"	44.97116
"636944"	1011.38396	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+2Na-H"	44.97116
"1134253"	367.10876	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2Na-H"	44.97116
"177543"	345.126818	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+2Na"	45.978436
"622580"	506.195618	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+2Na"	45.978436
"1122803"	184.058018	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2Na"	45.978436
"1406327"	123.041104	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H+2Na"	46.985712
"1440629"	369.150346	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H+HCOOH"	47.012746
"231418"	350.15984	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+3H2O+2H"	56.04448
"1517295"	383.20239	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+IsoProp+H"	61.06479
"422325"	353.113788	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+Na+K"	61.952376
"780162"	514.182588	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+Na+K"	61.952376
"1679532"	192.044988	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Na+K"	61.952376
"265931"	708.290968	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+ACN+Na"	64.015768
"1236817"	386.153368	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+ACN+Na"	64.015768
"1724610"	386.176893	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+NH4+HCOOH"	64.039293
"1189964"	130.368418	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+3Na"	68.967654
"1657671"	391.132288	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Na+HCOOH"	68.994688
"164533"	721.19424	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+2K-H"	76.91904
"606279"	1043.33184	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+2K-H"	76.91904
"1088605"	399.05664	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2K-H"	76.91904
"148703"	361.100758	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"2M+2K"	77.926316
"584251"	522.169558	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"3M+2K"	77.926316
"1069734"	200.031958	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2K"	77.926316
"1104887"	401.071192	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2K+H"	78.933592
"1342368"	401.158807	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+DMSO+H"	79.021207
"1009805"	405.197976	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2ACN+H"	83.060376
"1527930"	406.191608	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+IsoProp+Na+H"	84.054008
"993285"	203.102626	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+2ACN+2H"	84.067652
"1587909"	407.106228	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+K+HCOOH"	84.968628
"1417823"	437.137738	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+H+CF3COOH"	115.000138
"1151392"	223.615901	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+3ACN+2H"	125.094202
"1703130"	454.164285	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+NH4+CF3COOH"	132.026685
"1636594"	459.11968	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+Na+CF3COOH"	136.98208
"1571429"	475.09362	"C20351"	"2-Deamino-2-hydroxy-6-dehydroparomamine"	"C12H22N2O8"	"322.1376"	"M+K+CF3COOH"	152.95602
"814646"	990.6115	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M"	0
"984899"	971.59311	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-H2O-H"	-19.01839
"70955"	659.400390666667	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M-3H"	-3.021828
"508329"	989.604224	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M-3H"	-3.021828
"888318"	329.196557333333	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-3H"	-3.021828
"12359"	989.604224	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M-2H"	-2.014552
"440987"	1484.909974	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M-2H"	-2.014552
"817217"	494.298474	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-2H"	-2.014552
"79142"	1980.215724	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M-H"	-1.007276
"519793"	2970.827224	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M-H"	-1.007276
"897238"	989.604224	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-H"	-1.007276
"47598"	1997.242271	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M-2H+NH4"	16.019271
"495550"	2987.853771	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M-2H+NH4"	16.019271
"865209"	1006.630771	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-2H+NH4"	16.019271
"36880"	2002.197666	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M-2H+Na"	20.974666
"478627"	2992.809166	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M-2H+Na"	20.974666
"861170"	1011.586166	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-2H+Na"	20.974666
"1625961"	1011.586166	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Na-2H"	20.974666
"102495"	1007.592563	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M-H+Cl"	33.962126
"542053"	1502.898313	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M-H+Cl"	33.962126
"941035"	512.286813	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-H+Cl"	33.962126
"280687"	2016.192402	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+Cl"	34.969402
"667639"	3006.803902	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+Cl"	34.969402
"1285146"	1025.580902	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Cl"	34.969402
"24785"	2018.171606	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M-2H+K"	36.948606
"469813"	3008.783106	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M-2H+K"	36.948606
"847615"	1027.560106	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-2H+K"	36.948606
"1563452"	1027.560106	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+K-2H"	36.948606
"952429"	1035.609694	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-H+HCOOH"	44.998194
"365545"	2026.221201	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+HCOOH-H"	44.998201
"354527"	2040.236851	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+Hac-H"	59.013851
"1503366"	1049.625351	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Hac-H"	59.013851
"967625"	1057.591651	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-H+NaCOOH"	66.980151
"116535"	1025.580902	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+2Cl"	69.938804
"557187"	1520.886652	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+2Cl"	69.938804
"1030358"	530.275152	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2Cl"	69.938804
"1251030"	1069.530385	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Br"	78.918885
"1314579"	1071.586372	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Cl+HCOOH"	80.974872
"1331712"	1093.568329	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Cl+NaCOOH"	102.956829
"924960"	1103.597086	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M-H+CF3COOH"	112.985586
"1302761"	1139.573764	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Cl+CF3COOH"	148.962264
"1380191"	955.598824	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H-2H2O"	-35.012676
"1395504"	973.6088	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H-H2O"	-17.0027
"290816"	1982.230276	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+H"	1.007276
"683966"	2972.841776	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+H"	1.007276
"1363231"	991.618776	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H"	1.007276
"136120"	991.618776	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+2H"	2.014552
"579689"	1486.924526	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+2H"	2.014552
"1044115"	496.313026	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2H"	2.014552
"214934"	661.414942666667	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+3H"	3.021828
"645383"	991.618776	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+3H"	3.021828
"1165332"	331.211109333333	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+3H"	3.021828
"425324"	1999.256823	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+NH4"	18.033823
"786196"	2989.868323	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+NH4"	18.033823
"1684109"	1008.645323	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+NH4"	18.033823
"332753"	1000.1320495	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+H+NH4"	19.041099
"733200"	1495.4377995	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+H+NH4"	19.041099
"1487021"	504.8262995	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H+NH4"	19.041099
"403514"	2004.212218	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+Na"	22.989218
"762323"	2994.823718	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+Na"	22.989218
"1611514"	1013.600718	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Na"	22.989218
"317177"	1002.609747	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+H+Na"	23.996494
"712877"	1497.915497	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+H+Na"	23.996494
"1469981"	507.303997	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H+Na"	23.996494
"1058854"	338.538423333333	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2H+Na"	25.00377
"1266000"	1023.644986	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+CH3OH+H"	33.033486
"387856"	2020.186158	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+K"	38.963158
"746664"	3010.797658	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+K"	38.963158
"1548716"	1029.574658	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+K"	38.963158
"308082"	1010.596717	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+H+K"	39.970434
"698317"	1505.902467	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+H+K"	39.970434
"1448855"	515.290967	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H+K"	39.970434
"237823"	2023.256826	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+ACN+H"	42.033826
"1210653"	1032.645326	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+ACN+H"	42.033826
"1198060"	516.826301	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+ACN+2H"	43.041102
"192025"	2026.19416	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+2Na-H"	44.97116
"636690"	3016.80566	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+2Na-H"	44.97116
"1133634"	1035.58266	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2Na-H"	44.97116
"175831"	1013.600718	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+2Na"	45.978436
"625970"	1508.906468	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+2Na"	45.978436
"1125100"	518.294968	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2Na"	45.978436
"1409718"	345.865737333333	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H+2Na"	46.985712
"1441833"	1037.624246	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H+HCOOH"	47.012746
"232621"	1018.63374	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+3H2O+2H"	56.04448
"1517407"	1051.67629	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+IsoProp+H"	61.06479
"419278"	1021.587688	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+Na+K"	61.952376
"782459"	1516.893438	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+Na+K"	61.952376
"1678792"	526.281938	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Na+K"	61.952376
"264217"	2045.238768	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+ACN+Na"	64.015768
"1238021"	1054.627268	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+ACN+Na"	64.015768
"1723627"	1054.650793	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+NH4+HCOOH"	64.039293
"1190074"	353.193051333333	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+3Na"	68.967654
"1657782"	1059.606188	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Na+HCOOH"	68.994688
"159540"	2058.14204	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+2K-H"	76.91904
"608576"	3048.75354	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+2K-H"	76.91904
"1090903"	1067.53054	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2K-H"	76.91904
"152093"	1029.574658	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"2M+2K"	77.926316
"584726"	1524.880408	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"3M+2K"	77.926316
"1072883"	534.268908	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2K"	77.926316
"1104997"	1069.545092	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2K+H"	78.933592
"1339198"	1069.632707	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+DMSO+H"	79.021207
"1009915"	1073.671876	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2ACN+H"	83.060376
"1530227"	1074.665508	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+IsoProp+Na+H"	84.054008
"994489"	537.339576	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+2ACN+2H"	84.067652
"1592272"	1075.580128	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+K+HCOOH"	84.968628
"1419026"	1105.611638	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+H+CF3COOH"	115.000138
"1148586"	557.852851	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+3ACN+2H"	125.094202
"1703240"	1122.638185	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+NH4+CF3COOH"	132.026685
"1636704"	1127.59358	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+Na+CF3COOH"	136.98208
"1571988"	1143.56752	"C20352"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate"	"C55H92O11P2"	"990.6115"	"M+K+CF3COOH"	152.95602
"812568"	324.1533	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M"	0
"987560"	305.13491	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-H2O-H"	-19.01839
"72159"	215.094924	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M-3H"	-3.021828
"506253"	323.146024	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M-3H"	-3.021828
"887335"	107.043824	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-3H"	-3.021828
"12105"	323.146024	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M-2H"	-2.014552
"441096"	485.222674	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M-2H"	-2.014552
"821084"	161.069374	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-2H"	-2.014552
"79374"	647.299324	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M-H"	-1.007276
"518566"	971.452624	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M-H"	-1.007276
"896376"	323.146024	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-H"	-1.007276
"47151"	664.325871	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M-2H+NH4"	16.019271
"494567"	988.479171	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M-2H+NH4"	16.019271
"866900"	340.172571	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-2H+NH4"	16.019271
"38084"	669.281266	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M-2H+Na"	20.974666
"478737"	993.434566	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M-2H+Na"	20.974666
"861644"	345.127966	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-2H+Na"	20.974666
"1628258"	345.127966	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Na-2H"	20.974666
"99325"	341.134363	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M-H+Cl"	33.962126
"543257"	503.211013	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M-H+Cl"	33.962126
"935678"	179.057713	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-H+Cl"	33.962126
"280069"	683.276002	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+Cl"	34.969402
"667749"	1007.429302	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+Cl"	34.969402
"1283435"	359.122702	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Cl"	34.969402
"21615"	685.255206	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M-2H+K"	36.948606
"467736"	1009.408506	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M-2H+K"	36.948606
"844445"	361.101906	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-2H+K"	36.948606
"1561376"	361.101906	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+K-2H"	36.948606
"947072"	369.151494	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-H+HCOOH"	44.998194
"366382"	693.304801	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+HCOOH-H"	44.998201
"352452"	707.320451	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+Hac-H"	59.013851
"1502016"	383.167151	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Hac-H"	59.013851
"967735"	391.133451	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-H+NaCOOH"	66.980151
"119923"	359.122702	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+2Cl"	69.938804
"560576"	521.199352	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+2Cl"	69.938804
"1031561"	197.046052	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2Cl"	69.938804
"1246766"	403.072185	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Br"	78.918885
"1314685"	405.128172	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Cl+HCOOH"	80.974872
"1333645"	427.110129	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Cl+NaCOOH"	102.956829
"924706"	437.138886	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M-H+CF3COOH"	112.985586
"1302870"	473.115564	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Cl+CF3COOH"	148.962264
"1381394"	289.140624	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H-2H2O"	-35.012676
"1394521"	307.1506	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H-H2O"	-17.0027
"290926"	649.313876	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+H"	1.007276
"684076"	973.467176	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+H"	1.007276
"1359331"	325.160576	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H"	1.007276
"136230"	325.160576	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+2H"	2.014552
"577612"	487.237226	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+2H"	2.014552
"1044225"	163.083926	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2H"	2.014552
"213585"	217.109476	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+3H"	3.021828
"646588"	325.160576	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+3H"	3.021828
"1165442"	109.058376	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+3H"	3.021828
"424300"	666.340423	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+NH4"	18.033823
"786430"	990.493723	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+NH4"	18.033823
"1684219"	342.187123	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+NH4"	18.033823
"333956"	333.6738495	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+H+NH4"	19.041099
"732217"	495.7504995	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+H+NH4"	19.041099
"1486039"	171.5971995	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H+NH4"	19.041099
"403624"	671.295818	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+Na"	22.989218
"762433"	995.449118	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+Na"	22.989218
"1608344"	347.142518	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Na"	22.989218
"316554"	336.151547	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+H+Na"	23.996494
"711894"	498.228197	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+H+Na"	23.996494
"1467903"	174.074897	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H+Na"	23.996494
"1058964"	116.38569	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2H+Na"	25.00377
"1268297"	357.186786	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+CH3OH+H"	33.033486
"389058"	687.269758	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+K"	38.963158
"750052"	1011.423058	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+K"	38.963158
"1547733"	363.116458	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+K"	38.963158
"307095"	344.138517	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+H+K"	39.970434
"699521"	506.215167	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+H+K"	39.970434
"1448966"	182.061867	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H+K"	39.970434
"236392"	690.340426	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+ACN+H"	42.033826
"1211736"	366.187126	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+ACN+H"	42.033826
"1195011"	183.597201	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+ACN+2H"	43.041102
"192135"	693.27776	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+2Na-H"	44.97116
"629751"	1017.43106	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+2Na-H"	44.97116
"1133379"	369.12446	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2Na-H"	44.97116
"175577"	347.142518	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+2Na"	45.978436
"627991"	509.219168	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+2Na"	45.978436
"1127397"	185.065868	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2Na"	45.978436
"1409828"	123.713004	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H+2Na"	46.985712
"1443766"	371.166046	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H+HCOOH"	47.012746
"234312"	352.17554	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+3H2O+2H"	56.04448
"1519703"	385.21809	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+IsoProp+H"	61.06479
"420481"	355.129488	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+Na+K"	61.952376
"781477"	517.206138	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+Na+K"	61.952376
"1678903"	193.052838	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Na+K"	61.952376
"264328"	712.322368	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+ACN+Na"	64.015768
"1241048"	388.169068	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+ACN+Na"	64.015768
"1726897"	388.192593	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+NH4+HCOOH"	64.039293
"1189091"	131.040318	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+3Na"	68.967654
"1663357"	393.147988	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Na+HCOOH"	68.994688
"169127"	725.22564	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+2K-H"	76.91904
"607592"	1049.37894	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+2K-H"	76.91904
"1096479"	401.07234	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2K-H"	76.91904
"152202"	363.116458	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"2M+2K"	77.926316
"582287"	525.193108	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"3M+2K"	77.926316
"1072993"	201.039808	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2K"	77.926316
"1103285"	403.086892	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2K+H"	78.933592
"1337121"	403.174507	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+DMSO+H"	79.021207
"1010025"	407.213676	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2ACN+H"	83.060376
"1530337"	408.207308	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+IsoProp+Na+H"	84.054008
"994598"	204.110476	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+2ACN+2H"	84.067652
"1590196"	409.121928	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+K+HCOOH"	84.968628
"1418043"	439.153438	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+H+CF3COOH"	115.000138
"1152706"	224.623751	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+3ACN+2H"	125.094202
"1703350"	456.179985	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+NH4+CF3COOH"	132.026685
"1634668"	461.13538	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+Na+CF3COOH"	136.98208
"1571366"	477.10932	"C20353"	"2-Deamino-2-hydroxyparomamine"	"C12H24N2O8"	"324.1533"	"M+K+CF3COOH"	152.95602
"811584"	326.1213	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M"	0
"987670"	307.10291	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H2O-H"	-19.01839
"66801"	216.406924	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-3H"	-3.021828
"509643"	325.114024	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-3H"	-3.021828
"887446"	107.699824	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-3H"	-3.021828
"12579"	325.114024	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H"	-2.014552
"443396"	488.174674	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H"	-2.014552
"817668"	162.053374	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H"	-2.014552
"79605"	651.235324	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-H"	-1.007276
"518720"	977.356624	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-H"	-1.007276
"896487"	325.114024	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H"	-1.007276
"51835"	668.261871	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H+NH4"	16.019271
"494678"	994.383171	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H+NH4"	16.019271
"872478"	342.140571	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H+NH4"	16.019271
"44393"	673.217266	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H+Na"	20.974666
"481036"	999.338566	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H+Na"	20.974666
"862122"	347.095966	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H+Na"	20.974666
"1631904"	347.095966	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na-2H"	20.974666
"105998"	343.102363	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-H+Cl"	33.962126
"545924"	506.163013	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-H+Cl"	33.962126
"934697"	180.041713	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+Cl"	33.962126
"278722"	687.212002	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Cl"	34.969402
"670779"	1013.333302	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+Cl"	34.969402
"1284275"	361.090702	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl"	34.969402
"28655"	689.191206	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M-2H+K"	36.948606
"466390"	1015.312506	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M-2H+K"	36.948606
"843463"	363.069906	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-2H+K"	36.948606
"1561485"	363.069906	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K-2H"	36.948606
"949368"	371.119494	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+HCOOH"	44.998194
"365764"	697.240801	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+HCOOH-H"	44.998201
"353660"	711.256451	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Hac-H"	59.013851
"1500304"	385.135151	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Hac-H"	59.013851
"965658"	393.101451	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+NaCOOH"	66.980151
"116387"	361.090702	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2Cl"	69.938804
"557411"	524.151352	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2Cl"	69.938804
"1031678"	198.030052	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2Cl"	69.938804
"1252349"	405.040185	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Br"	78.918885
"1310426"	407.096172	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl+HCOOH"	80.974872
"1333024"	429.078129	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl+NaCOOH"	102.956829
"924451"	439.106886	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M-H+CF3COOH"	112.985586
"1301154"	475.083564	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Cl+CF3COOH"	148.962264
"1381869"	291.108624	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H-2H2O"	-35.012676
"1394628"	309.1186	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H-H2O"	-17.0027
"296503"	653.249876	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H"	1.007276
"688560"	979.371176	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H"	1.007276
"1362724"	327.128576	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H"	1.007276
"138163"	327.128576	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2H"	2.014552
"576631"	490.189226	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2H"	2.014552
"1048346"	164.067926	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2H"	2.014552
"216612"	218.421476	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+3H"	3.021828
"648521"	327.128576	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+3H"	3.021828
"1165552"	109.714376	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+3H"	3.021828
"424922"	670.276423	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+NH4"	18.033823
"786782"	996.397723	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+NH4"	18.033823
"1686151"	344.155123	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+NH4"	18.033823
"338806"	335.6418495	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H+NH4"	19.041099
"735610"	498.7024995	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H+NH4"	19.041099
"1487242"	172.5811995	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+NH4"	19.041099
"402640"	675.231818	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Na"	22.989218
"762541"	1001.353118	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+Na"	22.989218
"1613922"	349.110518	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na"	22.989218
"321773"	338.119547	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H+Na"	23.996494
"714193"	501.180197	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H+Na"	23.996494
"1466921"	175.058897	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+Na"	23.996494
"1059074"	117.04169	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2H+Na"	25.00377
"1267313"	359.154786	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+CH3OH+H"	33.033486
"389170"	691.205758	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+K"	38.963158
"745791"	1017.327058	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+K"	38.963158
"1544564"	365.084458	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K"	38.963158
"308299"	346.106517	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+H+K"	39.970434
"697445"	509.167167	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+H+K"	39.970434
"1450172"	183.045867	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+K"	39.970434
"236586"	694.276426	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+ACN+H"	42.033826
"1210753"	368.155126	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+ACN+H"	42.033826
"1195000"	184.581201	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+ACN+2H"	43.041102
"191152"	697.21376	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2Na-H"	44.97116
"629495"	1023.33506	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2Na-H"	44.97116
"1133002"	371.09246	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2Na-H"	44.97116
"175687"	349.110518	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2Na"	45.978436
"627288"	512.171168	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2Na"	45.978436
"1130917"	186.049868	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2Na"	45.978436
"1412980"	124.369004	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+2Na"	46.985712
"1444610"	373.134046	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+HCOOH"	47.012746
"233330"	354.14354	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+3H2O+2H"	56.04448
"1520906"	387.18609	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+IsoProp+H"	61.06479
"423146"	357.097488	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+Na+K"	61.952376
"783777"	520.158138	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+Na+K"	61.952376
"1678653"	194.036838	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na+K"	61.952376
"263348"	716.258368	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+ACN+Na"	64.015768
"1237148"	390.137068	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+ACN+Na"	64.015768
"1726159"	390.160593	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+NH4+HCOOH"	64.039293
"1192481"	131.696318	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+3Na"	68.967654
"1661279"	395.115988	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na+HCOOH"	68.994688
"168143"	729.16164	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2K-H"	76.91904
"605515"	1055.28294	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2K-H"	76.91904
"1092216"	403.04034	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2K-H"	76.91904
"147938"	365.084458	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"2M+2K"	77.926316
"583492"	528.145108	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"3M+2K"	77.926316
"1070189"	202.023808	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2K"	77.926316
"1101941"	405.054892	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2K+H"	78.933592
"1339419"	405.142507	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+DMSO+H"	79.021207
"1010137"	409.181676	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2ACN+H"	83.060376
"1528261"	410.175308	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+IsoProp+Na+H"	84.054008
"992522"	205.094476	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+2ACN+2H"	84.067652
"1588120"	411.089928	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K+HCOOH"	84.968628
"1420341"	441.121438	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+H+CF3COOH"	115.000138
"1150628"	225.607751	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+3ACN+2H"	125.094202
"1697263"	458.147985	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+NH4+CF3COOH"	132.026685
"1638018"	463.10338	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+Na+CF3COOH"	136.98208
"1571355"	479.07732	"C20354"	"3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose;3-O-alpha-D-Glucosyl-L-rhamnose"	"C12H22O10"	"326.1213"	"M+K+CF3COOH"	152.95602
"811695"	470.3607	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M"	0
"988144"	451.34231	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-H2O-H"	-19.01839
"77845"	312.566524	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M-3H"	-3.021828
"513033"	469.353424	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M-3H"	-3.021828
"891928"	155.779624	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-3H"	-3.021828
"7223"	469.353424	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M-2H"	-2.014552
"444599"	704.533774	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M-2H"	-2.014552
"821308"	234.173074	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-2H"	-2.014552
"81298"	939.714124	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M-H"	-1.007276
"521954"	1410.074824	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M-H"	-1.007276
"897569"	469.353424	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-H"	-1.007276
"51945"	956.740671	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M-2H+NH4"	16.019271
"496974"	1427.101371	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M-2H+NH4"	16.019271
"872588"	486.379971	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-2H+NH4"	16.019271
"44867"	961.696066	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M-2H+Na"	20.974666
"484794"	1432.056766	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M-2H+Na"	20.974666
"861867"	491.335366	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-2H+Na"	20.974666
"1633229"	491.335366	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Na-2H"	20.974666
"106108"	487.341763	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M-H+Cl"	33.962126
"548221"	722.522113	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M-H+Cl"	33.962126
"938089"	252.161413	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-H+Cl"	33.962126
"275550"	975.690802	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+Cl"	34.969402
"666876"	1446.051502	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+Cl"	34.969402
"1281105"	505.330102	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Cl"	34.969402
"26213"	977.670006	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M-2H+K"	36.948606
"466866"	1448.030706	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M-2H+K"	36.948606
"843574"	507.309306	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-2H+K"	36.948606
"1560502"	507.309306	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+K-2H"	36.948606
"947292"	515.358894	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-H+HCOOH"	44.998194
"366603"	985.719601	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+HCOOH-H"	44.998201
"354497"	999.735251	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+Hac-H"	59.013851
"1500414"	529.374551	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Hac-H"	59.013851
"964675"	537.340851	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-H+NaCOOH"	66.980151
"115769"	505.330102	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+2Cl"	69.938804
"557521"	740.510452	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+2Cl"	69.938804
"1035068"	270.149752	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2Cl"	69.938804
"1255741"	549.279585	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Br"	78.918885
"1317097"	551.335572	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Cl+HCOOH"	80.974872
"1332408"	573.317529	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Cl+NaCOOH"	102.956829
"924560"	583.346286	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M-H+CF3COOH"	112.985586
"1304024"	619.322964	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Cl+CF3COOH"	148.962264
"1382629"	435.348024	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H-2H2O"	-35.012676
"1392554"	453.358	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H-H2O"	-17.0027
"291147"	941.728676	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+H"	1.007276
"686849"	1412.089376	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+H"	1.007276
"1359916"	471.367976	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H"	1.007276
"137908"	471.367976	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+2H"	2.014552
"576378"	706.548326	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+2H"	2.014552
"1048820"	236.187626	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2H"	2.014552
"209067"	314.581076	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+3H"	3.021828
"646806"	471.367976	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+3H"	3.021828
"1163228"	157.794176	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+3H"	3.021828
"424262"	958.755223	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+NH4"	18.033823
"786771"	1429.115923	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+NH4"	18.033823
"1686262"	488.394523	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+NH4"	18.033823
"335636"	479.8812495	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+H+NH4"	19.041099
"736814"	715.0615995	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+H+NH4"	19.041099
"1488445"	244.7008995	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H+NH4"	19.041099
"402749"	963.710618	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+Na"	22.989218
"762651"	1434.071318	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+Na"	22.989218
"1615127"	493.349918	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Na"	22.989218
"326258"	482.358947	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+H+Na"	23.996494
"717585"	717.539297	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+H+Na"	23.996494
"1471406"	247.178597	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H+Na"	23.996494
"1062462"	165.12149	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2H+Na"	25.00377
"1265236"	503.394186	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+CH3OH+H"	33.033486
"391467"	979.684558	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+K"	38.963158
"745901"	1450.045258	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+K"	38.963158
"1547954"	509.323858	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+K"	38.963158
"310595"	490.345917	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+H+K"	39.970434
"698648"	725.526267	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+H+K"	39.970434
"1449187"	255.165567	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H+K"	39.970434
"236088"	982.755226	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+ACN+H"	42.033826
"1211956"	512.394526	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+ACN+H"	42.033826
"1195110"	256.700901	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+ACN+2H"	43.041102
"190168"	985.69256	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+2Na-H"	44.97116
"629729"	1456.05326	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+2Na-H"	44.97116
"1133235"	515.33186	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2Na-H"	44.97116
"179077"	493.349918	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+2Na"	45.978436
"627280"	728.530268	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+2Na"	45.978436
"1129930"	258.169568	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2Na"	45.978436
"1412846"	172.448804	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H+2Na"	46.985712
"1444596"	517.373446	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H+HCOOH"	47.012746
"232955"	498.38294	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+3H2O+2H"	56.04448
"1517736"	531.42549	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+IsoProp+H"	61.06479
"423257"	501.336888	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+Na+K"	61.952376
"783767"	736.517238	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+Na+K"	61.952376
"1680588"	266.156538	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Na+K"	61.952376
"263824"	1004.737168	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+ACN+Na"	64.015768
"1237258"	534.376468	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+ACN+Na"	64.015768
"1727363"	534.399993	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+NH4+HCOOH"	64.039293
"1192227"	179.776118	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+3Na"	68.967654
"1661389"	539.355388	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Na+HCOOH"	68.994688
"169345"	1017.64044	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+2K-H"	76.91904
"605625"	1488.00114	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+2K-H"	76.91904
"1094512"	547.27974	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2K-H"	76.91904
"149141"	509.323858	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"2M+2K"	77.926316
"586520"	744.504208	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"3M+2K"	77.926316
"1069938"	274.143508	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2K"	77.926316
"1100268"	549.294292	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2K+H"	78.933592
"1337465"	549.381907	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+DMSO+H"	79.021207
"1006236"	553.421076	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2ACN+H"	83.060376
"1526185"	554.414708	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+IsoProp+Na+H"	84.054008
"992632"	277.214176	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+2ACN+2H"	84.067652
"1590417"	555.329328	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+K+HCOOH"	84.968628
"1420451"	585.360838	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+H+CF3COOH"	115.000138
"1149644"	297.727451	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+3ACN+2H"	125.094202
"1701385"	602.387385	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+NH4+CF3COOH"	132.026685
"1640317"	607.34278	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+Na+CF3COOH"	136.98208
"1571589"	623.31672	"C20355"	"Glyceryl tri(2-ethylhexanoate)"	"C27H50O6"	"470.3607"	"M+K+CF3COOH"	152.95602
"811804"	284.2715	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M"	0
"985338"	265.25311	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-H2O-H"	-19.01839
"77955"	188.507057333333	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M-3H"	-3.021828
"513143"	283.264224	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M-3H"	-3.021828
"887663"	93.7498906666667	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-3H"	-3.021828
"10613"	283.264224	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M-2H"	-2.014552
"444709"	425.399974	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M-2H"	-2.014552
"818377"	141.128474	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-2H"	-2.014552
"82498"	567.535724	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M-H"	-1.007276
"519386"	851.807224	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M-H"	-1.007276
"896333"	283.264224	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-H"	-1.007276
"48895"	584.562271	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M-2H+NH4"	16.019271
"487966"	868.833771	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M-2H+NH4"	16.019271
"870511"	300.290771	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-2H+NH4"	16.019271
"40599"	589.517666	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M-2H+Na"	20.974666
"484174"	873.789166	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M-2H+Na"	20.974666
"861612"	305.246166	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-2H+Na"	20.974666
"1633333"	305.246166	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Na-2H"	20.974666
"105854"	301.252563	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M-H+Cl"	33.962126
"548695"	443.388313	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M-H+Cl"	33.962126
"939658"	159.116813	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-H+Cl"	33.962126
"275660"	603.512402	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+Cl"	34.969402
"668079"	887.783902	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+Cl"	34.969402
"1282672"	319.240902	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Cl"	34.969402
"26323"	605.491606	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M-2H+K"	36.948606
"466976"	889.763106	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M-2H+K"	36.948606
"844777"	321.220106	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-2H+K"	36.948606
"1563891"	321.220106	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+K-2H"	36.948606
"950681"	329.269694	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-H+HCOOH"	44.998194
"367806"	613.541201	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+HCOOH-H"	44.998201
"355336"	627.556851	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+Hac-H"	59.013851
"1499430"	343.285351	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Hac-H"	59.013851
"962232"	351.251651	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-H+NaCOOH"	66.980151
"115878"	319.240902	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+2Cl"	69.938804
"559813"	461.376652	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+2Cl"	69.938804
"1030800"	177.105152	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2Cl"	69.938804
"1248196"	363.190385	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Br"	78.918885
"1307365"	365.246372	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Cl+HCOOH"	80.974872
"1327048"	387.228329	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Cl+NaCOOH"	102.956829
"922480"	397.257086	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M-H+CF3COOH"	112.985586
"1297003"	433.233764	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Cl+CF3COOH"	148.962264
"1379537"	249.258824	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H-2H2O"	-35.012676
"1392659"	267.2688	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H-H2O"	-17.0027
"296357"	569.550276	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+H"	1.007276
"685866"	853.821776	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+H"	1.007276
"1360026"	285.278776	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H"	1.007276
"138018"	285.278776	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+2H"	2.014552
"575759"	427.414526	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+2H"	2.014552
"1047837"	143.143026	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2H"	2.014552
"210270"	190.521609333333	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+3H"	3.021828
"647644"	285.278776	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+3H"	3.021828
"1163096"	95.7644426666667	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+3H"	3.021828
"426127"	586.576823	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+NH4"	18.033823
"786269"	870.848323	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+NH4"	18.033823
"1684185"	302.305323	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+NH4"	18.033823
"339026"	293.7920495	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+H+NH4"	19.041099
"736924"	435.9277995	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+H+NH4"	19.041099
"1489648"	151.6562995	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H+NH4"	19.041099
"402859"	591.532218	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+Na"	22.989218
"766041"	875.803718	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+Na"	22.989218
"1613050"	307.260718	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Na"	22.989218
"327459"	296.269747	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+H+Na"	23.996494
"717695"	438.405497	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+H+Na"	23.996494
"1472609"	154.133997	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H+Na"	23.996494
"1063665"	103.091756666667	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2H+Na"	25.00377
"1264251"	317.304986	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+CH3OH+H"	33.033486
"387202"	607.506158	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+K"	38.963158
"743822"	891.777658	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+K"	38.963158
"1546970"	323.234658	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+K"	38.963158
"310705"	304.256717	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+H+K"	39.970434
"698757"	446.392467	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+H+K"	39.970434
"1446501"	162.120967	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H+K"	39.970434
"236196"	610.576826	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+ACN+H"	42.033826
"1210364"	326.305326	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+ACN+H"	42.033826
"1194843"	163.656301	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+ACN+2H"	43.041102
"189914"	613.51416	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+2Na-H"	44.97116
"629839"	897.78566	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+2Na-H"	44.97116
"1133345"	329.24266	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2Na-H"	44.97116
"178823"	307.260718	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+2Na"	45.978436
"628001"	449.396468	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+2Na"	45.978436
"1129918"	165.124968	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2Na"	45.978436
"1413320"	110.419070666667	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H+2Na"	46.985712
"1443367"	331.284246	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H+HCOOH"	47.012746
"233795"	312.29374	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+3H2O+2H"	56.04448
"1516753"	345.33629	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+IsoProp+H"	61.06479
"420814"	315.247688	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+Na+K"	61.952376
"783512"	457.383438	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+Na+K"	61.952376
"1680575"	173.111938	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Na+K"	61.952376
"264661"	632.558768	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+ACN+Na"	64.015768
"1237368"	348.287268	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+ACN+Na"	64.015768
"1727348"	348.310793	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+NH4+HCOOH"	64.039293
"1193188"	117.746384666667	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+3Na"	68.967654
"1661499"	353.266188	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Na+HCOOH"	68.994688
"169455"	645.46204	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+2K-H"	76.91904
"607922"	929.73354	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+2K-H"	76.91904
"1093529"	361.19054	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2K-H"	76.91904
"148158"	323.234658	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"2M+2K"	77.926316
"584442"	465.370408	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"3M+2K"	77.926316
"1070048"	181.098908	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2K"	77.926316
"1100943"	363.205092	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2K+H"	78.933592
"1336351"	363.292707	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+DMSO+H"	79.021207
"1007558"	367.331876	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2ACN+H"	83.060376
"1524834"	368.325508	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+IsoProp+Na+H"	84.054008
"990309"	184.169576	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+2ACN+2H"	84.067652
"1589428"	369.240128	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+K+HCOOH"	84.968628
"1414723"	399.271638	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+H+CF3COOH"	115.000138
"1147566"	204.682851	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+3ACN+2H"	125.094202
"1697477"	416.298185	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+NH4+CF3COOH"	132.026685
"1636052"	421.25358	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+Na+CF3COOH"	136.98208
"1572064"	437.22752	"C20356"	"Isooctadecanoic acid;Isostearic acid"	"C18H36O2"	"284.2715"	"M+K+CF3COOH"	152.95602
"816654"	632.1132	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M"	0
"988728"	613.09481	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-H2O-H"	-19.01839
"78492"	420.401524	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M-3H"	-3.021828
"513254"	631.105924	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M-3H"	-3.021828
"892147"	209.697124	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-3H"	-3.021828
"14005"	631.105924	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M-2H"	-2.014552
"448102"	947.162524	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M-2H"	-2.014552
"823713"	315.049324	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-2H"	-2.014552
"84799"	1263.219124	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M-H"	-1.007276
"519984"	1895.332324	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M-H"	-1.007276
"897056"	631.105924	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-H"	-1.007276
"52165"	1280.245671	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M-2H+NH4"	16.019271
"497194"	1912.358871	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M-2H+NH4"	16.019271
"877917"	648.132471	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-2H+NH4"	16.019271
"40711"	1285.201066	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M-2H+Na"	20.974666
"483189"	1917.314266	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M-2H+Na"	20.974666
"862817"	653.087866	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-2H+Na"	20.974666
"1633688"	653.087866	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Na-2H"	20.974666
"109126"	649.094263	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M-H+Cl"	33.962126
"548078"	965.150863	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M-H+Cl"	33.962126
"935031"	333.037663	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-H+Cl"	33.962126
"279054"	1299.195802	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+Cl"	34.969402
"668923"	1931.309002	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+Cl"	34.969402
"1283147"	667.082602	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Cl"	34.969402
"25339"	1301.175006	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M-2H+K"	36.948606
"468180"	1933.288206	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M-2H+K"	36.948606
"841608"	669.061806	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-2H+K"	36.948606
"1560721"	669.061806	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+K-2H"	36.948606
"946055"	677.111394	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-H+HCOOH"	44.998194
"369741"	1309.224601	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+HCOOH-H"	44.998201
"351071"	1323.240251	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+Hac-H"	59.013851
"1501729"	691.127051	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Hac-H"	59.013851
"964896"	699.093351	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-H+NaCOOH"	66.980151
"115991"	667.082602	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+2Cl"	69.938804
"557737"	983.139202	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+2Cl"	69.938804
"1034560"	351.026002	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2Cl"	69.938804
"1249402"	711.032085	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Br"	78.918885
"1315131"	713.088072	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Cl+HCOOH"	80.974872
"1327161"	735.070029	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Cl+NaCOOH"	102.956829
"924778"	745.098786	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M-H+CF3COOH"	112.985586
"1300394"	781.075464	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Cl+CF3COOH"	148.962264
"1381471"	597.100524	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H-2H2O"	-35.012676
"1397873"	615.1105	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H-H2O"	-17.0027
"296831"	1265.233676	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+H"	1.007276
"688162"	1897.346876	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+H"	1.007276
"1360136"	633.120476	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H"	1.007276
"135216"	633.120476	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+2H"	2.014552
"573683"	949.177076	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+2H"	2.014552
"1049043"	317.063876	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2H"	2.014552
"212569"	422.416076	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+3H"	3.021828
"652128"	633.120476	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+3H"	3.021828
"1163328"	211.711676	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+3H"	3.021828
"425144"	1282.260223	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+NH4"	18.033823
"785702"	1914.373423	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+NH4"	18.033823
"1682473"	650.147023	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+NH4"	18.033823
"339136"	641.6337495	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+H+NH4"	19.041099
"732663"	957.6903495	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+H+NH4"	19.041099
"1489758"	325.5771495	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H+NH4"	19.041099
"406251"	1287.215618	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+Na"	22.989218
"766151"	1919.328818	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+Na"	22.989218
"1612069"	655.102418	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Na"	22.989218
"324292"	644.111447	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+H+Na"	23.996494
"715621"	960.168047	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+H+Na"	23.996494
"1470534"	328.054847	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H+Na"	23.996494
"1061590"	219.03899	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2H+Na"	25.00377
"1265455"	665.146686	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+CH3OH+H"	33.033486
"384034"	1303.189558	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+K"	38.963158
"747212"	1935.302758	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+K"	38.963158
"1547079"	671.076358	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+K"	38.963158
"302432"	652.098417	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+H+K"	39.970434
"693399"	968.155017	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+H+K"	39.970434
"1446491"	336.041817	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H+K"	39.970434
"238010"	1306.260226	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+ACN+H"	42.033826
"1217280"	674.147026	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+ACN+H"	42.033826
"1200071"	337.577151	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+ACN+2H"	43.041102
"196223"	1309.19756	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+2Na-H"	44.97116
"640526"	1941.31076	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+2Na-H"	44.97116
"1142570"	677.08436	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2Na-H"	44.97116
"182581"	655.102418	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+2Na"	45.978436
"627989"	971.159018	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+2Na"	45.978436
"1130645"	339.045818	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2Na"	45.978436
"1413923"	226.366304	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H+2Na"	46.985712
"1444699"	679.125946	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H+HCOOH"	47.012746
"234270"	660.13544	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+3H2O+2H"	56.04448
"1523793"	693.17799	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+IsoProp+H"	61.06479
"423840"	663.089388	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+Na+K"	61.952376
"784965"	979.145988	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+Na+K"	61.952376
"1680078"	347.032788	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Na+K"	61.952376
"265864"	1328.242168	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+ACN+Na"	64.015768
"1238210"	696.128968	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+ACN+Na"	64.015768
"1724910"	696.152493	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+NH4+HCOOH"	64.039293
"1190627"	233.693618	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+3Na"	68.967654
"1661613"	701.107888	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Na+HCOOH"	68.994688
"167381"	1341.14544	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+2K-H"	76.91904
"609494"	1973.25864	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+2K-H"	76.91904
"1094732"	709.03224	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2K-H"	76.91904
"155560"	671.076358	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"2M+2K"	77.926316
"587832"	987.132958	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"3M+2K"	77.926316
"1069549"	355.019758	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2K"	77.926316
"1100813"	711.046792	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2K+H"	78.933592
"1337686"	711.134407	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+DMSO+H"	79.021207
"1008281"	715.173576	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2ACN+H"	83.060376
"1524945"	716.167208	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+IsoProp+Na+H"	84.054008
"991271"	358.090426	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+2ACN+2H"	84.067652
"1588079"	717.081828	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+K+HCOOH"	84.968628
"1414838"	747.113338	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+H+CF3COOH"	115.000138
"1152053"	378.603701	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+3ACN+2H"	125.094202
"1698324"	764.139885	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+NH4+CF3COOH"	132.026685
"1637250"	769.09528	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+Na+CF3COOH"	136.98208
"1571808"	785.06922	"C20357"	"UDP-NN-Diacetylbacillosamine;UDP-24-Diacetamido-246-trideoxy-alpha-D-glucopyranose"	"C19H30N4O16P2"	"632.1132"	"M+K+CF3COOH"	152.95602
"815304"	631.1043	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M"	0
"989820"	612.08591	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-H2O-H"	-19.01839
"78372"	419.728924	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M-3H"	-3.021828
"516645"	630.097024	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M-3H"	-3.021828
"894933"	209.360824	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-3H"	-3.021828
"14115"	630.097024	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M-2H"	-2.014552
"444929"	945.649174	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M-2H"	-2.014552
"824914"	314.544874	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-2H"	-2.014552
"81629"	1261.201324	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M-H"	-1.007276
"522282"	1892.305624	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M-H"	-1.007276
"897897"	630.097024	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-H"	-1.007276
"52275"	1278.227871	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M-2H+NH4"	16.019271
"487943"	1909.332171	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M-2H+NH4"	16.019271
"879324"	647.123571	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-2H+NH4"	16.019271
"41551"	1283.183266	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M-2H+Na"	20.974666
"486668"	1914.287566	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M-2H+Na"	20.974666
"861104"	652.078966	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-2H+Na"	20.974666
"1631001"	652.078966	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Na-2H"	20.974666
"108629"	648.085363	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M-H+Cl"	33.962126
"548189"	963.637513	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M-H+Cl"	33.962126
"939151"	332.533213	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-H+Cl"	33.962126
"281963"	1297.178002	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+Cl"	34.969402
"669398"	1928.282302	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+Cl"	34.969402
"1280343"	666.073702	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Cl"	34.969402
"24355"	1299.157206	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M-2H+K"	36.948606
"465010"	1930.261506	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M-2H+K"	36.948606
"841719"	668.052906	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-2H+K"	36.948606
"1561196"	668.052906	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+K-2H"	36.948606
"946164"	676.102494	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-H+HCOOH"	44.998194
"368028"	1307.206801	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+HCOOH-H"	44.998201
"349725"	1321.222451	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+Hac-H"	59.013851
"1501838"	690.118151	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Hac-H"	59.013851
"965008"	698.084451	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-H+NaCOOH"	66.980151
"116101"	666.073702	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+2Cl"	69.938804
"554569"	981.625852	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+2Cl"	69.938804
"1026650"	350.521552	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2Cl"	69.938804
"1247322"	710.023185	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Br"	78.918885
"1310865"	712.079172	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Cl+HCOOH"	80.974872
"1327270"	734.061129	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Cl+NaCOOH"	102.956829
"924886"	744.089886	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M-H+CF3COOH"	112.985586
"1296131"	780.066564	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Cl+CF3COOH"	148.962264
"1376479"	596.091624	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H-2H2O"	-35.012676
"1392880"	614.1016	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H-H2O"	-17.0027
"295848"	1263.215876	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+H"	1.007276
"682805"	1894.320176	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+H"	1.007276
"1359153"	632.111576	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H"	1.007276
"132042"	632.111576	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+2H"	2.014552
"572700"	947.663726	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+2H"	2.014552
"1045874"	316.559426	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2H"	2.014552
"215959"	421.743476	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+3H"	3.021828
"652238"	632.111576	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+3H"	3.021828
"1163113"	211.375376	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+3H"	3.021828
"424524"	1280.242423	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+NH4"	18.033823
"787711"	1911.346723	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+NH4"	18.033823
"1689877"	649.138123	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+NH4"	18.033823
"343993"	640.6248495	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+H+NH4"	19.041099
"733860"	956.1769995	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+H+NH4"	19.041099
"1488774"	325.0726995	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H+NH4"	19.041099
"405265"	1285.197818	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+Na"	22.989218
"766261"	1916.302118	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+Na"	22.989218
"1613268"	654.093518	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Na"	22.989218
"326587"	643.102547	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+H+Na"	23.996494
"716823"	958.654697	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+H+Na"	23.996494
"1470644"	327.550397	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H+Na"	23.996494
"1064980"	218.70269	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2H+Na"	25.00377
"1267754"	664.137786	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+CH3OH+H"	33.033486
"386330"	1301.171758	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+K"	38.963158
"746230"	1932.276058	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+K"	38.963158
"1547190"	670.067458	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+K"	38.963158
"303271"	651.089517	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+H+K"	39.970434
"696789"	966.641667	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+H+K"	39.970434
"1447332"	335.537367	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H+K"	39.970434
"238484"	1304.242426	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+ACN+H"	42.033826
"1216299"	673.138126	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+ACN+H"	42.033826
"1204192"	337.072701	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+ACN+2H"	43.041102
"196333"	1307.17976	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+2Na-H"	44.97116
"638449"	1938.28406	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+2Na-H"	44.97116
"1139400"	676.07546	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2Na-H"	44.97116
"182691"	654.093518	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+2Na"	45.978436
"627737"	969.645668	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+2Na"	45.978436
"1131124"	338.541368	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2Na"	45.978436
"1414123"	226.030004	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H+2Na"	46.985712
"1444929"	678.117046	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H+HCOOH"	47.012746
"235561"	659.12654	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+3H2O+2H"	56.04448
"1523663"	692.16909	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+IsoProp+H"	61.06479
"423917"	662.080488	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+Na+K"	61.952376
"785606"	977.632638	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+Na+K"	61.952376
"1681132"	346.528338	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Na+K"	61.952376
"264883"	1326.224368	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+ACN+Na"	64.015768
"1239415"	695.120068	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+ACN+Na"	64.015768
"1725021"	695.143593	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+NH4+HCOOH"	64.039293
"1191830"	233.357318	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+3Na"	68.967654
"1661723"	700.098988	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Na+HCOOH"	68.994688
"169675"	1339.12764	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+2K-H"	76.91904
"609235"	1970.23194	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+2K-H"	76.91904
"1095936"	708.02334	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2K-H"	76.91904
"150565"	670.067458	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"2M+2K"	77.926316
"585757"	985.619608	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"3M+2K"	77.926316
"1070268"	354.515308	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2K"	77.926316
"1101162"	710.037892	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2K+H"	78.933592
"1336578"	710.125507	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+DMSO+H"	79.021207
"1007418"	714.164676	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2ACN+H"	83.060376
"1525905"	715.158308	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+IsoProp+Na+H"	84.054008
"991018"	357.585976	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+2ACN+2H"	84.067652
"1588314"	716.072928	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+K+HCOOH"	84.968628
"1415430"	746.104438	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+H+CF3COOH"	115.000138
"1147423"	378.099251	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+3ACN+2H"	125.094202
"1700622"	763.130985	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+NH4+CF3COOH"	132.026685
"1634445"	768.08638	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+Na+CF3COOH"	136.98208
"1573015"	784.06032	"C20358"	"Caloxetate trisodium"	"C23H28N3O113NaCa"	"631.1043"	"M+K+CF3COOH"	152.95602
"811039"	620.0768	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M"	0
"979105"	601.05841	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-H2O-H"	-19.01839
"75003"	412.377257333333	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M-3H"	-3.021828
"517847"	619.069524	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M-3H"	-3.021828
"893832"	205.684990666667	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-3H"	-3.021828
"13136"	619.069524	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M-2H"	-2.014552
"448319"	929.107924	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M-2H"	-2.014552
"826119"	309.031124	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-2H"	-2.014552
"85019"	1239.146324	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M-H"	-1.007276
"519596"	1859.223124	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M-H"	-1.007276
"897398"	619.069524	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-H"	-1.007276
"52385"	1256.172871	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M-2H+NH4"	16.019271
"487605"	1876.249671	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M-2H+NH4"	16.019271
"879354"	636.096071	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-2H+NH4"	16.019271
"42027"	1261.128266	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M-2H+Na"	20.974666
"485601"	1881.205066	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M-2H+Na"	20.974666
"861214"	641.051466	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-2H+Na"	20.974666
"1630382"	641.051466	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Na-2H"	20.974666
"108497"	637.057863	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M-H+Cl"	33.962126
"543924"	947.096263	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M-H+Cl"	33.962126
"935251"	327.019463	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-H+Cl"	33.962126
"281222"	1275.123002	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+Cl"	34.969402
"669508"	1895.199802	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+Cl"	34.969402
"1279723"	655.046202	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Cl"	34.969402
"27742"	1277.102206	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M-2H+K"	36.948606
"464025"	1897.179006	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M-2H+K"	36.948606
"841829"	657.025406	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-2H+K"	36.948606
"1562397"	657.025406	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+K-2H"	36.948606
"945910"	665.074994	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-H+HCOOH"	44.998194
"364858"	1285.151801	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+HCOOH-H"	44.998201
"349835"	1299.167451	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+Hac-H"	59.013851
"1500855"	679.090651	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Hac-H"	59.013851
"965118"	687.056951	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-H+NaCOOH"	66.980151
"117305"	655.046202	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+2Cl"	69.938804
"560146"	965.084602	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+2Cl"	69.938804
"1027853"	345.007802	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2Cl"	69.938804
"1247432"	698.995685	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Br"	78.918885
"1312068"	701.051672	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Cl+HCOOH"	80.974872
"1325194"	723.033629	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Cl+NaCOOH"	102.956829
"925727"	733.062386	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M-H+CF3COOH"	112.985586
"1296241"	769.039064	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Cl+CF3COOH"	148.962264
"1376589"	585.064124	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H-2H2O"	-35.012676
"1389711"	603.0741	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H-H2O"	-17.0027
"293773"	1241.160876	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+H"	1.007276
"680728"	1861.237676	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+H"	1.007276
"1362545"	621.084076	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H"	1.007276
"135435"	621.084076	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+2H"	2.014552
"569530"	931.122476	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+2H"	2.014552
"1044891"	311.045676	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2H"	2.014552
"210603"	414.391809333333	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+3H"	3.021828
"645786"	621.084076	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+3H"	3.021828
"1163911"	207.699542666667	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+3H"	3.021828
"424869"	1258.187423	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+NH4"	18.033823
"787092"	1878.264223	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+NH4"	18.033823
"1688892"	638.110623	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+NH4"	18.033823
"344342"	629.5973495	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+H+NH4"	19.041099
"737127"	939.6357495	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+H+NH4"	19.041099
"1486698"	319.5589495	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H+NH4"	19.041099
"403188"	1263.142818	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+Na"	22.989218
"766371"	1883.219618	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+Na"	22.989218
"1613378"	643.066018	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Na"	22.989218
"327063"	632.075047	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+H+Na"	23.996494
"719850"	942.113447	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+H+Na"	23.996494
"1471848"	322.036647	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H+Na"	23.996494
"1066550"	215.026856666667	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2H+Na"	25.00377
"1267864"	653.110286	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+CH3OH+H"	33.033486
"386441"	1279.116758	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+K"	38.963158
"745248"	1899.193558	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+K"	38.963158
"1547301"	659.039958	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+K"	38.963158
"302291"	640.062017	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+H+K"	39.970434
"696899"	950.100417	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+H+K"	39.970434
"1446468"	330.023617	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H+K"	39.970434
"238594"	1282.187426	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+ACN+H"	42.033826
"1215316"	662.110626	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+ACN+H"	42.033826
"1201386"	331.558951	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+ACN+2H"	43.041102
"196443"	1285.12476	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+2Na-H"	44.97116
"638923"	1905.20156	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+2Na-H"	44.97116
"1139510"	665.04796	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2Na-H"	44.97116
"181707"	643.066018	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+2Na"	45.978436
"628428"	953.104418	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+2Na"	45.978436
"1131228"	333.027618	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2Na"	45.978436
"1413699"	222.354170666667	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H+2Na"	46.985712
"1444065"	667.089546	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H+HCOOH"	47.012746
"234129"	648.09904	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+3H2O+2H"	56.04448
"1522192"	681.14159	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+IsoProp+H"	61.06479
"422240"	651.052988	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+Na+K"	61.952376
"782870"	961.091388	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+Na+K"	61.952376
"1679202"	341.014588	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Na+K"	61.952376
"264989"	1304.169368	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+ACN+Na"	64.015768
"1236973"	684.092568	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+ACN+Na"	64.015768
"1724401"	684.116093	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+NH4+HCOOH"	64.039293
"1191214"	229.681484666667	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+3Na"	68.967654
"1660738"	689.071488	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Na+HCOOH"	68.994688
"168691"	1317.07264	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+2K-H"	76.91904
"602785"	1937.14944	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+2K-H"	76.91904
"1093859"	696.99584	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2K-H"	76.91904
"150675"	659.039958	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"2M+2K"	77.926316
"585867"	969.078358	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"3M+2K"	77.926316
"1072565"	349.001558	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2K"	77.926316
"1100791"	699.010392	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2K+H"	78.933592
"1336202"	699.098007	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+DMSO+H"	79.021207
"1005633"	703.137176	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2ACN+H"	83.060376
"1524800"	704.130808	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+IsoProp+Na+H"	84.054008
"990277"	352.072226	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+2ACN+2H"	84.067652
"1587575"	705.045428	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+K+HCOOH"	84.968628
"1414690"	735.076938	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+H+CF3COOH"	115.000138
"1147166"	372.585501	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+3ACN+2H"	125.094202
"1701825"	752.103485	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+NH4+CF3COOH"	132.026685
"1634555"	757.05888	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+Na+CF3COOH"	136.98208
"1571788"	773.03282	"C20359"	"UDP-2-acetamido-3-amino-23-dideoxy-alpha-D-glucuronate"	"C17H26N4O17P2"	"620.0768"	"M+K+CF3COOH"	152.95602
"811149"	158.0014	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M"	0
"989058"	138.98301	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-H2O-H"	-19.01839
"77181"	104.326990666667	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M-3H"	-3.021828
"514678"	156.994124	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M-3H"	-3.021828
"890292"	51.6598573333333	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-3H"	-3.021828
"13244"	156.994124	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M-2H"	-2.014552
"448429"	235.994824	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M-2H"	-2.014552
"826229"	77.993424	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-2H"	-2.014552
"80754"	314.995524	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M-H"	-1.007276
"519706"	472.996924	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M-H"	-1.007276
"897268"	156.994124	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-H"	-1.007276
"54682"	332.022071	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M-2H+NH4"	16.019271
"502399"	490.023471	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M-2H+NH4"	16.019271
"879556"	174.020671	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-2H+NH4"	16.019271
"46841"	336.977466	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M-2H+Na"	20.974666
"486327"	494.978866	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M-2H+Na"	20.974666
"862910"	178.976066	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-2H+Na"	20.974666
"1633663"	178.976066	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Na-2H"	20.974666
"109344"	174.982463	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M-H+Cl"	33.962126
"548046"	253.983163	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M-H+Cl"	33.962126
"942168"	95.981763	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-H+Cl"	33.962126
"281577"	350.972202	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+Cl"	34.969402
"674607"	508.973602	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+Cl"	34.969402
"1285301"	192.970802	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Cl"	34.969402
"28952"	352.951406	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M-2H+K"	36.948606
"464137"	510.952806	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M-2H+K"	36.948606
"846309"	194.950006	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-2H+K"	36.948606
"1559961"	194.950006	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+K-2H"	36.948606
"950034"	202.999594	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-H+HCOOH"	44.998194
"371896"	361.001001	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+HCOOH-H"	44.998201
"352133"	375.016651	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+Hac-H"	59.013851
"1505705"	217.015251	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Hac-H"	59.013851
"972886"	224.981551	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-H+NaCOOH"	66.980151
"120698"	192.970802	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+2Cl"	69.938804
"561352"	271.971502	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+2Cl"	69.938804
"1030152"	113.970102	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2Cl"	69.938804
"1250824"	236.920285	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Br"	78.918885
"1314366"	238.976272	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Cl+HCOOH"	80.974872
"1329675"	260.958229	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Cl+NaCOOH"	102.956829
"922921"	270.986986	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M-H+CF3COOH"	112.985586
"1297443"	306.963664	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Cl+CF3COOH"	148.962264
"1370504"	122.988724	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H-2H2O"	-35.012676
"1396261"	140.9987	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H-H2O"	-17.0027
"291697"	317.010076	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+H"	1.007276
"685213"	475.011476	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+H"	1.007276
"1358282"	159.008676	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H"	1.007276
"137731"	159.008676	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+2H"	2.014552
"576200"	238.009376	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+2H"	2.014552
"1042813"	80.007976	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2H"	2.014552
"217274"	106.341542666667	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+3H"	3.021828
"651366"	159.008676	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+3H"	3.021828
"1166213"	53.6744093333333	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+3H"	3.021828
"427299"	334.036623	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+NH4"	18.033823
"794859"	492.038023	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+NH4"	18.033823
"1696425"	176.035223	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+NH4"	18.033823
"343856"	167.5219495	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+H+NH4"	19.041099
"737853"	246.5226495	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+H+NH4"	19.041099
"1492155"	88.5212495	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H+NH4"	19.041099
"402209"	338.992018	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+Na"	22.989218
"768674"	496.993418	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+Na"	22.989218
"1616050"	180.990618	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Na"	22.989218
"328151"	169.999647	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+H+Na"	23.996494
"719603"	249.000347	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+H+Na"	23.996494
"1474872"	90.998947	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H+Na"	23.996494
"1063016"	61.0017233333333	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2H+Na"	25.00377
"1267974"	191.034886	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+CH3OH+H"	33.033486
"387643"	354.965958	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+K"	38.963158
"748639"	512.967358	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+K"	38.963158
"1546319"	196.964558	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+K"	38.963158
"303496"	177.986617	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+H+K"	39.970434
"691615"	256.987317	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+H+K"	39.970434
"1446822"	98.985917	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H+K"	39.970434
"244903"	358.036626	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+ACN+H"	42.033826
"1215424"	200.035226	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+ACN+H"	42.033826
"1201497"	100.521251	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+ACN+2H"	43.041102
"198379"	360.97396	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+2Na-H"	44.97116
"643410"	518.97536	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+2Na-H"	44.97116
"1146186"	202.97256	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2Na-H"	44.97116
"188330"	180.990618	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+2Na"	45.978436
"626122"	259.991318	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+2Na"	45.978436
"1129267"	101.989918	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2Na"	45.978436
"1411694"	68.3290373333333	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H+2Na"	46.985712
"1442354"	205.014146	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H+HCOOH"	47.012746
"233873"	186.02364	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+3H2O+2H"	56.04448
"1520477"	219.06619	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+IsoProp+H"	61.06479
"419800"	188.977588	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+Na+K"	61.952376
"775690"	267.978288	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+Na+K"	61.952376
"1673115"	109.976888	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Na+K"	61.952376
"263645"	380.018568	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+ACN+Na"	64.015768
"1235991"	222.017168	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+ACN+Na"	64.015768
"1722691"	222.040693	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+NH4+HCOOH"	64.039293
"1185492"	75.6563513333333	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+3Na"	68.967654
"1659755"	226.996088	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Na+HCOOH"	68.994688
"166255"	392.92184	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+2K-H"	76.91904
"606910"	550.92324	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+2K-H"	76.91904
"1093609"	234.92044	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2K-H"	76.91904
"148598"	196.964558	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"2M+2K"	77.926316
"585977"	275.965258	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"3M+2K"	77.926316
"1075955"	117.963858	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2K"	77.926316
"1110990"	236.934992	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2K+H"	78.933592
"1341176"	237.022607	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+DMSO+H"	79.021207
"1014081"	241.061776	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2ACN+H"	83.060376
"1532205"	242.055408	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+IsoProp+Na+H"	84.054008
"998652"	121.034526	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+2ACN+2H"	84.067652
"1588780"	242.970028	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+K+HCOOH"	84.968628
"1414349"	273.001538	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+H+CF3COOH"	115.000138
"1152383"	141.547801	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+3ACN+2H"	125.094202
"1700843"	290.028085	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+NH4+CF3COOH"	132.026685
"1638680"	294.98348	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+Na+CF3COOH"	136.98208
"1571449"	310.95742	"C20360"	"Sodium methallylsulfonate;Sodium methallyl sulfonate"	"C4H7O3SNa"	"158.0014"	"M+K+CF3COOH"	152.95602
"812354"	178.1106	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M"	0
"989168"	159.09221	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-H2O-H"	-19.01839
"76319"	117.733124	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M-3H"	-3.021828
"515878"	177.103324	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M-3H"	-3.021828
"890399"	58.362924	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-3H"	-3.021828
"8976"	177.103324	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M-2H"	-2.014552
"448539"	266.158624	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M-2H"	-2.014552
"821967"	88.048024	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-2H"	-2.014552
"85239"	355.213924	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M-H"	-1.007276
"520547"	533.324524	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M-H"	-1.007276
"900417"	177.103324	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-H"	-1.007276
"56980"	372.240471	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M-2H+NH4"	16.019271
"502717"	550.351071	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M-2H+NH4"	16.019271
"879222"	194.129871	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-2H+NH4"	16.019271
"46263"	377.195866	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M-2H+Na"	20.974666
"486972"	555.306466	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M-2H+Na"	20.974666
"863269"	199.085266	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-2H+Na"	20.974666
"1632436"	199.085266	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Na-2H"	20.974666
"106408"	195.091663	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M-H+Cl"	33.962126
"541960"	284.146963	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M-H+Cl"	33.962126
"939847"	106.036363	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-H+Cl"	33.962126
"280954"	391.190602	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+Cl"	34.969402
"673862"	569.301202	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+Cl"	34.969402
"1284318"	213.080002	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Cl"	34.969402
"26875"	393.169806	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M-2H+K"	36.948606
"465340"	571.280406	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M-2H+K"	36.948606
"842050"	215.059206	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-2H+K"	36.948606
"1560072"	215.059206	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+K-2H"	36.948606
"950144"	223.108794	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-H+HCOOH"	44.998194
"370184"	401.219401	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+HCOOH-H"	44.998201
"358806"	415.235051	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+Hac-H"	59.013851
"1504722"	237.124451	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Hac-H"	59.013851
"968254"	245.090751	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-H+NaCOOH"	66.980151
"124334"	213.080002	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+2Cl"	69.938804
"564017"	302.135302	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+2Cl"	69.938804
"1034274"	124.024702	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2Cl"	69.938804
"1254947"	257.029485	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Br"	78.918885
"1317758"	259.085472	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Cl+HCOOH"	80.974872
"1335094"	281.067429	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Cl+NaCOOH"	102.956829
"925220"	291.096186	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M-H+CF3COOH"	112.985586
"1300835"	327.072864	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Cl+CF3COOH"	148.962264
"1378998"	143.097924	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H-2H2O"	-35.012676
"1394305"	161.1079	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H-H2O"	-17.0027
"293995"	357.228476	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+H"	1.007276
"684231"	535.339076	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+H"	1.007276
"1363860"	179.117876	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H"	1.007276
"140395"	179.117876	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+2H"	2.014552
"578498"	268.173176	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+2H"	2.014552
"1046204"	90.062576	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2H"	2.014552
"217384"	119.747676	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+3H"	3.021828
"649655"	179.117876	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+3H"	3.021828
"1165592"	60.377476	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+3H"	3.021828
"427045"	374.255023	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+NH4"	18.033823
"796065"	552.365623	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+NH4"	18.033823
"1696617"	196.144423	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+NH4"	18.033823
"345057"	187.6311495	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+H+NH4"	19.041099
"737604"	276.6864495	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+H+NH4"	19.041099
"1486920"	98.5758495	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H+NH4"	19.041099
"405600"	379.210418	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+Na"	22.989218
"765867"	557.321018	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+Na"	22.989218
"1616521"	201.099818	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Na"	22.989218
"326918"	190.108847	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+H+Na"	23.996494
"720433"	279.164147	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+H+Na"	23.996494
"1474985"	101.053547	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H+Na"	23.996494
"1066046"	67.70479	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2H+Na"	25.00377
"1270638"	211.144086	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+CH3OH+H"	33.033486
"389940"	395.184358	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+K"	38.963158
"746564"	573.294958	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+K"	38.963158
"1546430"	217.073758	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+K"	38.963158
"302512"	198.095817	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+H+K"	39.970434
"694564"	287.151117	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+H+K"	39.970434
"1447174"	109.040517	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H+K"	39.970434
"245013"	398.255026	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+ACN+H"	42.033826
"1213347"	220.144426	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+ACN+H"	42.033826
"1206347"	110.575851	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+ACN+2H"	43.041102
"202502"	401.19236	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+2Na-H"	44.97116
"643970"	579.30296	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+2Na-H"	44.97116
"1146304"	223.08176	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2Na-H"	44.97116
"187534"	201.099818	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+2Na"	45.978436
"627819"	290.155118	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+2Na"	45.978436
"1129377"	112.044518	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2Na"	45.978436
"1413270"	75.032104	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H+2Na"	46.985712
"1443196"	225.123346	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H+HCOOH"	47.012746
"231797"	206.13284	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+3H2O+2H"	56.04448
"1520953"	239.17539	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+IsoProp+H"	61.06479
"420640"	209.086788	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+Na+K"	61.952376
"779081"	298.142088	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+Na+K"	61.952376
"1676505"	120.031488	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Na+K"	61.952376
"261570"	420.236968	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+ACN+Na"	64.015768
"1235737"	242.126368	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+ACN+Na"	64.015768
"1721343"	242.149893	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+NH4+HCOOH"	64.039293
"1185239"	82.359418	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+3Na"	68.967654
"1660962"	247.105288	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Na+HCOOH"	68.994688
"166366"	433.14024	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+2K-H"	76.91904
"607020"	611.25084	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+2K-H"	76.91904
"1095177"	255.02964	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2K-H"	76.91904
"148708"	217.073758	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"2M+2K"	77.926316
"591192"	306.129058	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"3M+2K"	77.926316
"1080442"	128.018458	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2K"	77.926316
"1111101"	257.044192	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2K+H"	78.933592
"1341287"	257.131807	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+DMSO+H"	79.021207
"1016744"	261.170976	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2ACN+H"	83.060376
"1530129"	262.164608	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+IsoProp+Na+H"	84.054008
"997670"	131.089126	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+2ACN+2H"	84.067652
"1592171"	263.079228	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+K+HCOOH"	84.968628
"1415155"	293.110738	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+H+CF3COOH"	115.000138
"1154681"	151.602401	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+3ACN+2H"	125.094202
"1704233"	310.137285	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+NH4+CF3COOH"	132.026685
"1640977"	315.09268	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+Na+CF3COOH"	136.98208
"1574441"	331.06662	"C20361"	"Pseudooxynicotine;4-(Methylamino)-1-(pyridin-3-yl)butan-1-one"	"C10H14N2O"	"178.1106"	"M+K+CF3COOH"	152.95602
"809186"	140.0473	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M"	0
"986000"	121.02891	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-H2O-H"	-19.01839
"73148"	92.3575906666667	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M-3H"	-3.021828
"514896"	139.040024	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M-3H"	-3.021828
"889419"	45.6751573333333	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-3H"	-3.021828
"12369"	139.040024	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M-2H"	-2.014552
"443182"	209.063674	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M-2H"	-2.014552
"819891"	69.016374	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-2H"	-2.014552
"83164"	279.087324	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M-H"	-1.007276
"519683"	419.134624	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M-H"	-1.007276
"907088"	139.040024	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-H"	-1.007276
"52715"	296.113871	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M-2H+NH4"	16.019271
"502497"	436.161171	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M-2H+NH4"	16.019271
"879535"	156.066571	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-2H+NH4"	16.019271
"46985"	301.069266	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M-2H+Na"	20.974666
"485938"	441.116566	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M-2H+Na"	20.974666
"861186"	161.021966	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-2H+Na"	20.974666
"1632543"	161.021966	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Na-2H"	20.974666
"107248"	157.028363	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M-H+Cl"	33.962126
"546445"	227.052013	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M-H+Cl"	33.962126
"937770"	87.004713	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-H+Cl"	33.962126
"277418"	315.064002	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+Cl"	34.969402
"670932"	455.111302	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+Cl"	34.969402
"1281147"	175.016702	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Cl"	34.969402
"20423"	317.043206	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M-2H+K"	36.948606
"463259"	457.090506	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M-2H+K"	36.948606
"837785"	176.995906	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-2H+K"	36.948606
"1565653"	176.995906	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+K-2H"	36.948606
"956089"	185.045494	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-H+HCOOH"	44.998194
"363732"	325.092801	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+HCOOH-H"	44.998201
"347977"	339.108451	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+Hac-H"	59.013851
"1495720"	199.061151	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Hac-H"	59.013851
"965449"	207.027451	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-H+NaCOOH"	66.980151
"117638"	175.016702	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+2Cl"	69.938804
"561572"	245.040352	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+2Cl"	69.938804
"1030372"	104.993052	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2Cl"	69.938804
"1252139"	218.966185	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Br"	78.918885
"1313494"	221.022172	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Cl+HCOOH"	80.974872
"1324430"	243.004129	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Cl+NaCOOH"	102.956829
"916581"	253.032886	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M-H+CF3COOH"	112.985586
"1297664"	289.009564	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Cl+CF3COOH"	148.962264
"1372546"	105.034624	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H-2H2O"	-35.012676
"1385667"	123.0446	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H-H2O"	-17.0027
"297631"	281.101876	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+H"	1.007276
"689808"	421.149176	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+H"	1.007276
"1362880"	141.054576	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H"	1.007276
"137955"	141.054576	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+2H"	2.014552
"573140"	211.078226	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+2H"	2.014552
"1045221"	71.030926	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2H"	2.014552
"213119"	94.3721426666667	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+3H"	3.021828
"650497"	141.054576	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+3H"	3.021828
"1168258"	47.6897093333333	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+3H"	3.021828
"431897"	298.128423	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+NH4"	18.033823
"794718"	438.175723	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+NH4"	18.033823
"1696917"	158.081123	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+NH4"	18.033823
"345487"	149.5678495	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+H+NH4"	19.041099
"738419"	219.5914995	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+H+NH4"	19.041099
"1492529"	79.5441995	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H+NH4"	19.041099
"406804"	303.083818	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+Na"	22.989218
"765612"	443.131118	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+Na"	22.989218
"1614805"	163.036518	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Na"	22.989218
"325936"	152.045547	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+H+Na"	23.996494
"720544"	222.069197	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+H+Na"	23.996494
"1475457"	82.021897	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H+Na"	23.996494
"1065422"	55.0170233333333	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2H+Na"	25.00377
"1271476"	173.080786	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+CH3OH+H"	33.033486
"391144"	319.057758	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+K"	38.963158
"751045"	459.105058	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+K"	38.963158
"1546542"	179.010458	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+K"	38.963158
"304811"	160.032517	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+H+K"	39.970434
"695045"	230.056167	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+H+K"	39.970434
"1455429"	90.008867	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H+K"	39.970434
"249139"	322.128426	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+ACN+H"	42.033826
"1225487"	182.081126	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+ACN+H"	42.033826
"1209861"	91.544201	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+ACN+2H"	43.041102
"204148"	325.06576	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+2Na-H"	44.97116
"642553"	465.11306	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+2Na-H"	44.97116
"1146834"	185.01846	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2Na-H"	44.97116
"186675"	163.036518	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+2Na"	45.978436
"627809"	233.060168	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+2Na"	45.978436
"1130220"	93.012868	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2Na"	45.978436
"1412287"	62.3443373333333	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H+2Na"	46.985712
"1444643"	187.060046	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H+HCOOH"	47.012746
"233728"	168.06954	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+3H2O+2H"	56.04448
"1519602"	201.11209	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+IsoProp+H"	61.06479
"419289"	171.023488	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+Na+K"	61.952376
"782471"	241.047138	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+Na+K"	61.952376
"1674428"	100.999838	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Na+K"	61.952376
"263135"	344.110368	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+ACN+Na"	64.015768
"1234751"	204.063068	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+ACN+Na"	64.015768
"1720357"	204.086593	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+NH4+HCOOH"	64.039293
"1189722"	69.6716513333333	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+3Na"	68.967654
"1660343"	209.041988	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Na+HCOOH"	68.994688
"169393"	357.01364	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+2K-H"	76.91904
"609679"	497.06094	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+2K-H"	76.91904
"1096383"	216.96634	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2K-H"	76.91904
"153193"	179.010458	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"2M+2K"	77.926316
"593855"	249.034108	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"3M+2K"	77.926316
"1083353"	108.986808	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2K"	77.926316
"1112670"	218.980892	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2K+H"	78.933592
"1341396"	219.068507	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+DMSO+H"	79.021207
"1014300"	223.107676	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2ACN+H"	83.060376
"1531332"	224.101308	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+IsoProp+Na+H"	84.054008
"993404"	112.057476	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+2ACN+2H"	84.067652
"1588512"	225.015928	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+K+HCOOH"	84.968628
"1414534"	255.047438	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+H+CF3COOH"	115.000138
"1147861"	132.570751	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+3ACN+2H"	125.094202
"1698141"	272.073985	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+NH4+CF3COOH"	132.026685
"1634280"	277.02938	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+Na+CF3COOH"	136.98208
"1573458"	293.00332	"C20362"	"Ethyl maltol"	"C7H8O3"	"140.0473"	"M+K+CF3COOH"	152.95602
"806012"	88.016	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M"	0
"982830"	68.99761	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-H2O-H"	-19.01839
"72166"	57.6700573333333	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M-3H"	-3.021828
"512819"	87.008724	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M-3H"	-3.021828
"887343"	28.3313906666667	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-3H"	-3.021828
"8104"	87.008724	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M-2H"	-2.014552
"443290"	131.016724	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M-2H"	-2.014552
"819999"	43.000724	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-2H"	-2.014552
"79016"	175.024724	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M-H"	-1.007276
"519184"	263.040724	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M-H"	-1.007276
"906834"	87.008724	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-H"	-1.007276
"52826"	192.051271	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M-2H+NH4"	16.019271
"490197"	280.067271	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M-2H+NH4"	16.019271
"876753"	104.035271	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-2H+NH4"	16.019271
"47016"	197.006666	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M-2H+Na"	20.974666
"486860"	285.022666	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M-2H+Na"	20.974666
"862025"	108.990666	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-2H+Na"	20.974666
"1632287"	108.990666	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Na-2H"	20.974666
"108451"	104.997063	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M-H+Cl"	33.962126
"545462"	149.005063	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M-H+Cl"	33.962126
"940434"	60.989063	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-H+Cl"	33.962126
"273156"	211.001402	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+Cl"	34.969402
"669949"	299.017402	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+Cl"	34.969402
"1283443"	122.985402	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Cl"	34.969402
"24905"	212.980606	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M-2H+K"	36.948606
"462277"	300.996606	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M-2H+K"	36.948606
"836801"	124.964606	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-2H+K"	36.948606
"1568680"	124.964606	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+K-2H"	36.948606
"948179"	133.014194	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-H+HCOOH"	44.998194
"363474"	221.030201	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+HCOOH-H"	44.998201
"347722"	235.045851	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+Hac-H"	59.013851
"1495830"	147.029851	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Hac-H"	59.013851
"968840"	154.996151	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-H+NaCOOH"	66.980151
"122122"	122.985402	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+2Cl"	69.938804
"562779"	166.993402	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+2Cl"	69.938804
"1036316"	78.977402	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2Cl"	69.938804
"1251157"	166.934885	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Br"	78.918885
"1312511"	168.990872	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Cl+HCOOH"	80.974872
"1331102"	190.972829	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Cl+NaCOOH"	102.956829
"919973"	201.001586	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M-H+CF3COOH"	112.985586
"1301054"	236.978264	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Cl+CF3COOH"	148.962264
"1372656"	53.003324	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H-2H2O"	-35.012676
"1385777"	71.0133	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H-H2O"	-17.0027
"297865"	177.039276	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+H"	1.007276
"689917"	265.055276	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+H"	1.007276
"1362991"	89.023276	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H"	1.007276
"138065"	89.023276	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+2H"	2.014552
"575438"	133.031276	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+2H"	2.014552
"1045330"	45.015276	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2H"	2.014552
"214323"	59.6846093333333	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+3H"	3.021828
"649877"	89.023276	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+3H"	3.021828
"1168734"	30.3459426666667	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+3H"	3.021828
"428723"	194.065823	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+NH4"	18.033823
"795921"	282.081823	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+NH4"	18.033823
"1696273"	106.049823	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+NH4"	18.033823
"345394"	97.5365495	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+H+NH4"	19.041099
"737700"	141.5445495	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+H+NH4"	19.041099
"1492629"	53.5285495	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H+NH4"	19.041099
"408255"	199.021218	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+Na"	22.989218
"769858"	287.037218	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+Na"	22.989218
"1617468"	111.005218	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Na"	22.989218
"327869"	100.014247	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+H+Na"	23.996494
"722674"	144.022247	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+H+Na"	23.996494
"1476299"	56.006247	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H+Na"	23.996494
"1065533"	37.6732566666667	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2H+Na"	25.00377
"1269398"	121.049486	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+CH3OH+H"	33.033486
"390160"	214.995158	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+K"	38.963158
"748967"	303.011158	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+K"	38.963158
"1552118"	126.979158	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+K"	38.963158
"306014"	108.001217	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+H+K"	39.970434
"694061"	152.009217	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+H+K"	39.970434
"1457729"	63.993217	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H+K"	39.970434
"251090"	218.065826	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+ACN+H"	42.033826
"1225216"	130.049826	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+ACN+H"	42.033826
"1209735"	65.528551	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+ACN+2H"	43.041102
"204234"	221.00316	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+2Na-H"	44.97116
"644209"	309.01916	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+2Na-H"	44.97116
"1146647"	132.98716	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2Na-H"	44.97116
"187267"	111.005218	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+2Na"	45.978436
"627194"	155.013218	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+2Na"	45.978436
"1130334"	66.997218	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2Na"	45.978436
"1413128"	45.0005706666667	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H+2Na"	46.985712
"1444028"	135.028746	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H+HCOOH"	47.012746
"233840"	116.03824	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+3H2O+2H"	56.04448
"1521538"	149.08079	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+IsoProp+H"	61.06479
"420496"	118.992188	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+Na+K"	61.952376
"782218"	163.000188	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+Na+K"	61.952376
"1675633"	74.984188	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Na+K"	61.952376
"263612"	240.047768	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+ACN+Na"	64.015768
"1238873"	152.031768	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+ACN+Na"	64.015768
"1727396"	152.055293	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+NH4+HCOOH"	64.039293
"1189833"	52.3278846666667	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+3Na"	68.967654
"1663007"	157.010688	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Na+HCOOH"	68.994688
"168409"	252.95104	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+2K-H"	76.91904
"609427"	340.96704	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+2K-H"	76.91904
"1097584"	164.93504	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2K-H"	76.91904
"152210"	126.979158	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"2M+2K"	77.926316
"590682"	170.987158	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"3M+2K"	77.926316
"1082852"	82.971158	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2K"	77.926316
"1112778"	166.949592	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2K+H"	78.933592
"1348798"	167.037207	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+DMSO+H"	79.021207
"1017328"	171.076376	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2ACN+H"	83.060376
"1530349"	172.070008	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+IsoProp+Na+H"	84.054008
"1000077"	86.041826	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+2ACN+2H"	84.067652
"1590206"	172.984628	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+K+HCOOH"	84.968628
"1421333"	203.016138	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+H+CF3COOH"	115.000138
"1153809"	106.555101	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+3ACN+2H"	125.094202
"1703361"	220.042685	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+NH4+CF3COOH"	132.026685
"1641198"	224.99808	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+Na+CF3COOH"	136.98208
"1573932"	240.97202	"C20363"	"Ethylene carbonate;13-Dioxolan-2-one"	"C3H4O3"	"88.016"	"M+K+CF3COOH"	152.95602
"806122"	176.0321	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M"	0
"976375"	157.01371	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-H2O-H"	-19.01839
"64616"	116.347457333333	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M-3H"	-3.021828
"504542"	175.024824	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M-3H"	-3.021828
"884167"	57.6700906666667	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-3H"	-3.021828
"10402"	175.024824	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M-2H"	-2.014552
"445587"	263.040874	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M-2H"	-2.014552
"817799"	87.008774	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-2H"	-2.014552
"79857"	351.056924	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M-H"	-1.007276
"520391"	527.089024	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M-H"	-1.007276
"906944"	175.024824	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-H"	-1.007276
"52936"	368.083471	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M-2H+NH4"	16.019271
"489214"	544.115571	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M-2H+NH4"	16.019271
"876863"	192.051371	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-2H+NH4"	16.019271
"46672"	373.038866	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M-2H+Na"	20.974666
"482136"	549.070966	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M-2H+Na"	20.974666
"863232"	197.006766	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-2H+Na"	20.974666
"1633373"	197.006766	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Na-2H"	20.974666
"107835"	193.013163	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M-H+Cl"	33.962126
"547029"	281.029213	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M-H+Cl"	33.962126
"941760"	104.997113	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-H+Cl"	33.962126
"273266"	387.033602	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+Cl"	34.969402
"667872"	563.065702	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+Cl"	34.969402
"1283553"	211.001502	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Cl"	34.969402
"23922"	389.012806	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M-2H+K"	36.948606
"463480"	565.044906	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M-2H+K"	36.948606
"834725"	212.980706	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-2H+K"	36.948606
"1568061"	212.980706	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+K-2H"	36.948606
"947196"	221.030294	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-H+HCOOH"	44.998194
"362208"	397.062401	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+HCOOH-H"	44.998201
"346375"	411.078051	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+Hac-H"	59.013851
"1499220"	235.045951	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Hac-H"	59.013851
"968586"	243.012251	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-H+NaCOOH"	66.980151
"122961"	211.001502	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+2Cl"	69.938804
"565075"	299.017552	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+2Cl"	69.938804
"1034239"	122.985452	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2Cl"	69.938804
"1256370"	254.950985	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Br"	78.918885
"1318818"	257.006972	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Cl+HCOOH"	80.974872
"1327932"	278.988929	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Cl+NaCOOH"	102.956829
"916803"	289.017686	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M-H+CF3COOH"	112.985586
"1301164"	324.994364	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Cl+CF3COOH"	148.962264
"1376046"	141.019424	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H-2H2O"	-35.012676
"1392448"	159.0294	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H-H2O"	-17.0027
"296512"	353.071476	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+H"	1.007276
"683466"	529.103576	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+H"	1.007276
"1364191"	177.039376	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H"	1.007276
"138172"	177.039376	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+2H"	2.014552
"578826"	265.055426	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+2H"	2.014552
"1050665"	89.023326	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2H"	2.014552
"210060"	118.362009333333	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+3H"	3.021828
"651810"	177.039376	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+3H"	3.021828
"1169938"	59.6846426666667	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+3H"	3.021828
"428834"	370.098023	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+NH4"	18.033823
"797124"	546.130123	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+NH4"	18.033823
"1696385"	194.065923	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+NH4"	18.033823
"344534"	185.5526495	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+H+NH4"	19.041099
"734521"	273.5686995	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+H+NH4"	19.041099
"1491870"	97.5365995	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H+NH4"	19.041099
"406297"	375.053418	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+Na"	22.989218
"764740"	551.085518	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+Na"	22.989218
"1613932"	199.021318	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Na"	22.989218
"324698"	188.030347	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+H+Na"	23.996494
"721010"	276.046397	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+H+Na"	23.996494
"1475317"	100.014297	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H+Na"	23.996494
"1061268"	67.0119566666667	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2H+Na"	25.00377
"1270235"	209.065586	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+CH3OH+H"	33.033486
"389174"	391.027358	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+K"	38.963158
"747982"	567.059458	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+K"	38.963158
"1550043"	214.995258	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+K"	38.963158
"308311"	196.017317	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+H+K"	39.970434
"695264"	284.033367	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+H+K"	39.970434
"1453462"	108.001267	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H+K"	39.970434
"244251"	394.098026	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+ACN+H"	42.033826
"1222796"	218.065926	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+ACN+H"	42.033826
"1209810"	109.536601	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+ACN+2H"	43.041102
"203809"	397.03536	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+2Na-H"	44.97116
"642027"	573.06746	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+2Na-H"	44.97116
"1146266"	221.00326	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2Na-H"	44.97116
"187496"	199.021318	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+2Na"	45.978436
"626564"	287.037368	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+2Na"	45.978436
"1129707"	111.005268	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2Na"	45.978436
"1412505"	74.3392706666667	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H+2Na"	46.985712
"1441703"	223.044846	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H+HCOOH"	47.012746
"231762"	204.05434	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+3H2O+2H"	56.04448
"1522376"	237.09689	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+IsoProp+H"	61.06479
"420969"	207.008288	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+Na+K"	61.952376
"782328"	295.024338	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+Na+K"	61.952376
"1674648"	118.992238	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Na+K"	61.952376
"262263"	416.079968	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+ACN+Na"	64.015768
"1237160"	240.047868	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+ACN+Na"	64.015768
"1724587"	240.071393	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+NH4+HCOOH"	64.039293
"1190307"	81.6665846666667	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+3Na"	68.967654
"1657647"	245.026788	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Na+HCOOH"	68.994688
"168881"	428.98324	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+2K-H"	76.91904
"606982"	605.01534	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+2K-H"	76.91904
"1092222"	252.95114	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2K-H"	76.91904
"145027"	214.995258	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"2M+2K"	77.926316
"593710"	303.011308	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"3M+2K"	77.926316
"1079313"	126.979208	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2K"	77.926316
"1110700"	254.965692	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2K+H"	78.933592
"1345992"	255.053307	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+DMSO+H"	79.021207
"1014521"	259.092476	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2ACN+H"	83.060376
"1530459"	260.086108	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+IsoProp+Na+H"	84.054008
"993627"	130.049876	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+2ACN+2H"	84.067652
"1592503"	261.000728	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+K+HCOOH"	84.968628
"1421443"	291.032238	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+H+CF3COOH"	115.000138
"1153919"	150.563151	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+3ACN+2H"	125.094202
"1703471"	308.058785	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+NH4+CF3COOH"	132.026685
"1641308"	313.01418	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+Na+CF3COOH"	136.98208
"1573677"	328.98812	"C20364"	"Erythorbic acid;Isoascorbic acid"	"C6H8O6"	"176.0321"	"M+K+CF3COOH"	152.95602
"806232"	422.4124	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M"	0
"976485"	403.39401	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-H2O-H"	-19.01839
"64726"	280.600990666667	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M-3H"	-3.021828
"504530"	421.405124	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M-3H"	-3.021828
"884276"	139.796857333333	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-3H"	-3.021828
"10513"	421.405124	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M-2H"	-2.014552
"444604"	632.611324	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M-2H"	-2.014552
"820221"	210.198924	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-2H"	-2.014552
"83492"	843.817524	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M-H"	-1.007276
"523055"	1266.229924	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M-H"	-1.007276
"907418"	421.405124	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-H"	-1.007276
"53046"	860.844071	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M-2H+NH4"	16.019271
"489445"	1283.256471	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M-2H+NH4"	16.019271
"878066"	438.431671	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-2H+NH4"	16.019271
"45853"	865.799466	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M-2H+Na"	20.974666
"484432"	1288.211866	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M-2H+Na"	20.974666
"863465"	443.387066	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-2H+Na"	20.974666
"1633241"	443.387066	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Na-2H"	20.974666
"109651"	439.393463	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M-H+Cl"	33.962126
"547870"	650.599663	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M-H+Cl"	33.962126
"941750"	228.187263	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-H+Cl"	33.962126
"273376"	879.794202	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+Cl"	34.969402
"667982"	1302.206602	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+Cl"	34.969402
"1285850"	457.381802	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Cl"	34.969402
"21845"	881.773406	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M-2H+K"	36.948606
"462499"	1304.185806	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M-2H+K"	36.948606
"834835"	459.361006	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-2H+K"	36.948606
"1565984"	459.361006	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+K-2H"	36.948606
"947306"	467.410594	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-H+HCOOH"	44.998194
"366609"	889.823001	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+HCOOH-H"	44.998201
"348671"	903.838651	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+Hac-H"	59.013851
"1498237"	481.426251	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Hac-H"	59.013851
"967967"	489.392551	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-H+NaCOOH"	66.980151
"120155"	457.381802	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+2Cl"	69.938804
"565185"	668.588002	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+2Cl"	69.938804
"1035077"	246.175602	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2Cl"	69.938804
"1253564"	501.331285	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Br"	78.918885
"1317105"	503.387272	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Cl+HCOOH"	80.974872
"1324761"	525.369229	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Cl+NaCOOH"	102.956829
"916913"	535.397986	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M-H+CF3COOH"	112.985586
"1293619"	571.374664	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Cl+CF3COOH"	148.962264
"1372875"	387.399724	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H-2H2O"	-35.012676
"1385998"	405.4097	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H-H2O"	-17.0027
"293341"	845.832076	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+H"	1.007276
"685762"	1268.244476	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+H"	1.007276
"1364301"	423.419676	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H"	1.007276
"137188"	423.419676	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+2H"	2.014552
"580397"	634.625876	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+2H"	2.014552
"1052233"	212.213476	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2H"	2.014552
"211263"	282.615542666667	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+3H"	3.021828
"652648"	423.419676	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+3H"	3.021828
"1170048"	141.811409333333	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+3H"	3.021828
"428944"	862.858623	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+NH4"	18.033823
"798691"	1285.271023	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+NH4"	18.033823
"1695036"	440.446223	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+NH4"	18.033823
"344643"	431.9329495	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+H+NH4"	19.041099
"737548"	643.1391495	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+H+NH4"	19.041099
"1491011"	220.7267495	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H+NH4"	19.041099
"406894"	867.814018	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+Na"	22.989218
"767037"	1290.226418	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+Na"	22.989218
"1614042"	445.401618	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Na"	22.989218
"325172"	434.410647	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+H+Na"	23.996494
"719784"	645.616847	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+H+Na"	23.996494
"1474335"	223.204447	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H+Na"	23.996494
"1064657"	149.138723333333	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2H+Na"	25.00377
"1270708"	455.445886	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+CH3OH+H"	33.033486
"390013"	883.787958	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+K"	38.963158
"748092"	1306.200358	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+K"	38.963158
"1550881"	461.375558	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+K"	38.963158
"310243"	442.397617	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+H+K"	39.970434
"693187"	653.603817	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+H+K"	39.970434
"1455760"	231.191417	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H+K"	39.970434
"246187"	886.858626	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+ACN+H"	42.033826
"1225341"	464.446226	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+ACN+H"	42.033826
"1209224"	232.726751	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+ACN+2H"	43.041102
"202946"	889.79596	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+2Na-H"	44.97116
"642016"	1312.20836	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+2Na-H"	44.97116
"1143819"	467.38356	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2Na-H"	44.97116
"187726"	445.401618	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+2Na"	45.978436
"626796"	656.607818	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+2Na"	45.978436
"1128727"	234.195418	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2Na"	45.978436
"1411640"	156.466037333333	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H+2Na"	46.985712
"1443514"	469.425146	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H+HCOOH"	47.012746
"231870"	450.43464	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+3H2O+2H"	56.04448
"1522000"	483.47719	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+IsoProp+H"	61.06479
"420712"	453.388588	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+Na+K"	61.952376
"781707"	664.594788	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+Na+K"	61.952376
"1674759"	242.182388	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Na+K"	61.952376
"263466"	908.840568	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+ACN+Na"	64.015768
"1237634"	486.428168	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+ACN+Na"	64.015768
"1725061"	486.451693	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+NH4+HCOOH"	64.039293
"1189323"	163.793351333333	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+3Na"	68.967654
"1661401"	491.407088	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Na+HCOOH"	68.994688
"167532"	921.74384	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+2K-H"	76.91904
"607091"	1344.15624	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+2K-H"	76.91904
"1092332"	499.33144	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2K-H"	76.91904
"146960"	461.375558	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"2M+2K"	77.926316
"590900"	672.581758	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"3M+2K"	77.926316
"1081610"	250.169358	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2K"	77.926316
"1105341"	501.345992	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2K+H"	78.933592
"1340634"	501.433607	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+DMSO+H"	79.021207
"1011351"	505.472776	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2ACN+H"	83.060376
"1530570"	506.466408	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+IsoProp+Na+H"	84.054008
"994830"	253.240026	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+2ACN+2H"	84.067652
"1590790"	507.381028	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+K+HCOOH"	84.968628
"1420460"	537.412538	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+H+CF3COOH"	115.000138
"1152936"	273.753301	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+3ACN+2H"	125.094202
"1699206"	554.439085	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+NH4+CF3COOH"	132.026685
"1635220"	559.39448	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+Na+CF3COOH"	136.98208
"1573787"	575.36842	"C20365"	"Decyl oleate"	"C28H54O2"	"422.4124"	"M+K+CF3COOH"	152.95602
"806342"	168.0059	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M"	0
"979875"	148.98751	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-H2O-H"	-19.01839
"69210"	110.996657333333	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M-3H"	-3.021828
"504033"	166.998624	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M-3H"	-3.021828
"886573"	54.9946906666667	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-3H"	-3.021828
"8436"	166.998624	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M-2H"	-2.014552
"445809"	251.001574	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M-2H"	-2.014552
"825799"	82.995674	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-2H"	-2.014552
"82510"	335.004524	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M-H"	-1.007276
"523165"	503.010424	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M-H"	-1.007276
"904248"	166.998624	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-H"	-1.007276
"55343"	352.031071	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M-2H+NH4"	16.019271
"488462"	520.036971	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M-2H+NH4"	16.019271
"878055"	184.025171	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-2H+NH4"	16.019271
"41700"	356.986466	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M-2H+Na"	20.974666
"483449"	524.992366	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M-2H+Na"	20.974666
"863209"	188.980566	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-2H+Na"	20.974666
"1632260"	188.980566	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Na-2H"	20.974666
"108301"	184.986963	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M-H+Cl"	33.962126
"548345"	268.989913	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M-H+Cl"	33.962126
"939305"	100.984013	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-H+Cl"	33.962126
"274580"	370.981202	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+Cl"	34.969402
"664083"	538.987102	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+Cl"	34.969402
"1278307"	202.975302	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Cl"	34.969402
"25236"	372.960406	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M-2H+K"	36.948606
"459329"	540.966306	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M-2H+K"	36.948606
"835673"	204.954506	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-2H+K"	36.948606
"1565001"	204.954506	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+K-2H"	36.948606
"950697"	213.004094	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-H+HCOOH"	44.998194
"361742"	381.010001	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+HCOOH-H"	44.998201
"348421"	395.025651	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+Hac-H"	59.013851
"1498347"	227.019751	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Hac-H"	59.013851
"964797"	234.986051	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-H+NaCOOH"	66.980151
"119172"	202.975302	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+2Cl"	69.938804
"563108"	286.978252	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+2Cl"	69.938804
"1031907"	118.972352	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2Cl"	69.938804
"1252579"	246.924785	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Br"	78.918885
"1311748"	248.980772	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Cl+HCOOH"	80.974872
"1324871"	270.962729	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Cl+NaCOOH"	102.956829
"917023"	280.991486	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M-H+CF3COOH"	112.985586
"1292636"	316.968164	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Cl+CF3COOH"	148.962264
"1376265"	132.993224	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H-2H2O"	-35.012676
"1387202"	151.0032	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H-H2O"	-17.0027
"290171"	337.019076	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+H"	1.007276
"683685"	505.024976	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+H"	1.007276
"1363318"	169.013176	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H"	1.007276
"132924"	169.013176	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+2H"	2.014552
"580139"	253.016126	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+2H"	2.014552
"1051125"	85.010226	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2H"	2.014552
"211375"	113.011209333333	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+3H"	3.021828
"652030"	169.013176	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+3H"	3.021828
"1169792"	57.0092426666667	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+3H"	3.021828
"429054"	354.045623	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+NH4"	18.033823
"797708"	522.051523	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+NH4"	18.033823
"1695873"	186.039723	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+NH4"	18.033823
"344509"	177.5264495	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+H+NH4"	19.041099
"736927"	261.5293995	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+H+NH4"	19.041099
"1491482"	93.5234995	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H+NH4"	19.041099
"405057"	359.001018	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+Na"	22.989218
"768854"	527.006918	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+Na"	22.989218
"1616339"	190.995118	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Na"	22.989218
"327110"	180.004147	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+H+Na"	23.996494
"721357"	264.007097	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+H+Na"	23.996494
"1475174"	96.001197	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H+Na"	23.996494
"1065502"	64.3365566666667	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2H+Na"	25.00377
"1270093"	201.039386	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+CH3OH+H"	33.033486
"390856"	374.974958	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+K"	38.963158
"749295"	542.980858	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+K"	38.963158
"1553178"	206.969058	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+K"	38.963158
"311446"	187.991117	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+H+K"	39.970434
"695484"	271.994067	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+H+K"	39.970434
"1455872"	103.988167	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H+K"	39.970434
"247026"	378.045626	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+ACN+H"	42.033826
"1224729"	210.039726	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+ACN+H"	42.033826
"1209096"	105.523501	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+ACN+2H"	43.041102
"203176"	380.98296	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+2Na-H"	44.97116
"642247"	548.98886	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+2Na-H"	44.97116
"1143929"	212.97706	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2Na-H"	44.97116
"186867"	190.995118	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+2Na"	45.978436
"627030"	274.998068	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+2Na"	45.978436
"1129082"	106.992168	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2Na"	45.978436
"1411995"	71.6638706666667	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H+2Na"	46.985712
"1440098"	215.018646	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H+HCOOH"	47.012746
"234048"	196.02814	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+3H2O+2H"	56.04448
"1521502"	229.07069	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+IsoProp+H"	61.06479
"421916"	198.982088	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+Na+K"	61.952376
"777444"	282.985038	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+Na+K"	61.952376
"1673776"	114.979138	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Na+K"	61.952376
"263214"	400.027568	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+ACN+Na"	64.015768
"1239203"	232.021668	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+ACN+Na"	64.015768
"1724079"	232.045193	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+NH4+HCOOH"	64.039293
"1191255"	78.9911846666667	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+3Na"	68.967654
"1660420"	237.000588	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Na+HCOOH"	68.994688
"169102"	412.93084	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+2K-H"	76.91904
"609754"	580.93674	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+2K-H"	76.91904
"1093901"	244.92494	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2K-H"	76.91904
"147070"	206.969058	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"2M+2K"	77.926316
"593198"	290.972008	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"3M+2K"	77.926316
"1078805"	122.966108	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2K"	77.926316
"1110556"	246.939492	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2K+H"	78.933592
"1344025"	247.027107	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+DMSO+H"	79.021207
"1011460"	251.066276	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2ACN+H"	83.060376
"1532867"	252.059908	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+IsoProp+Na+H"	84.054008
"999315"	126.036776	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+2ACN+2H"	84.067652
"1598193"	252.974528	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+K+HCOOH"	84.968628
"1422758"	283.006038	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+H+CF3COOH"	115.000138
"1153046"	146.550051	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+3ACN+2H"	125.094202
"1697033"	300.032585	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+NH4+CF3COOH"	132.026685
"1634601"	304.98798	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+Na+CF3COOH"	136.98208
"1571383"	320.96192	"C20366"	"2-Oxo-3-(5-oxofuran-2-ylidene)propanoate"	"C7H4O5"	"168.0059"	"M+K+CF3COOH"	152.95602
"806452"	215.0066	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M"	0
"979985"	195.98821	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-H2O-H"	-19.01839
"70413"	142.330457333333	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M-3H"	-3.021828
"505601"	213.999324	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M-3H"	-3.021828
"887776"	70.6615906666667	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-3H"	-3.021828
"9630"	213.999324	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M-2H"	-2.014552
"452846"	321.502624	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M-2H"	-2.014552
"823722"	106.496024	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-2H"	-2.014552
"89181"	429.005924	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M-H"	-1.007276
"522180"	644.012524	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M-H"	-1.007276
"904358"	213.999324	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-H"	-1.007276
"55453"	446.032471	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M-2H+NH4"	16.019271
"489544"	661.039071	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M-2H+NH4"	16.019271
"878285"	231.025871	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-2H+NH4"	16.019271
"43999"	450.987866	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M-2H+Na"	20.974666
"484655"	665.994466	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M-2H+Na"	20.974666
"861363"	235.981266	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-2H+Na"	20.974666
"1629801"	235.981266	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Na-2H"	20.974666
"109504"	231.987663	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M-H+Cl"	33.962126
"548815"	339.490963	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M-H+Cl"	33.962126
"939415"	124.484363	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-H+Cl"	33.962126
"281617"	464.982602	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+Cl"	34.969402
"664924"	679.989202	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+Cl"	34.969402
"1278418"	249.976002	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Cl"	34.969402
"25346"	466.961806	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M-2H+K"	36.948606
"460532"	681.968406	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M-2H+K"	36.948606
"835055"	251.955206	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-2H+K"	36.948606
"1564018"	251.955206	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+K-2H"	36.948606
"950807"	260.004794	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-H+HCOOH"	44.998194
"361769"	475.011401	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+HCOOH-H"	44.998201
"348527"	489.027051	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+Hac-H"	59.013851
"1493468"	274.020451	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Hac-H"	59.013851
"964907"	281.986751	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-H+NaCOOH"	66.980151
"118189"	249.976002	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+2Cl"	69.938804
"564312"	357.479302	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+2Cl"	69.938804
"1032018"	142.472702	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2Cl"	69.938804
"1249409"	293.925485	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Br"	78.918885
"1311858"	295.981472	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Cl+HCOOH"	80.974872
"1324981"	317.963429	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Cl+NaCOOH"	102.956829
"917133"	327.992186	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M-H+CF3COOH"	112.985586
"1292017"	363.968864	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Cl+CF3COOH"	148.962264
"1375280"	179.993924	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H-2H2O"	-35.012676
"1389498"	198.0039	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H-H2O"	-17.0027
"290281"	431.020476	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+H"	1.007276
"682702"	646.027076	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+H"	1.007276
"1363428"	216.013876	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H"	1.007276
"130118"	216.013876	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+2H"	2.014552
"574782"	323.517176	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+2H"	2.014552
"1049048"	108.510576	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2H"	2.014552
"211120"	144.345009333333	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+3H"	3.021828
"652868"	216.013876	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+3H"	3.021828
"1170266"	72.6761426666667	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+3H"	3.021828
"429164"	448.047023	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+NH4"	18.033823
"797454"	663.053623	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+NH4"	18.033823
"1696915"	233.040423	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+NH4"	18.033823
"343890"	224.5271495	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+H+NH4"	19.041099
"735945"	332.0304495	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+H+NH4"	19.041099
"1492709"	117.0238495	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H+NH4"	19.041099
"405167"	453.002418	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+Na"	22.989218
"768717"	668.009018	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+Na"	22.989218
"1617908"	237.995818	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Na"	22.989218
"325393"	227.004847	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+H+Na"	23.996494
"722482"	334.508147	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+H+Na"	23.996494
"1476703"	119.501547	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H+Na"	23.996494
"1067800"	80.0034566666667	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2H+Na"	25.00377
"1270202"	248.040086	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+CH3OH+H"	33.033486
"389874"	468.976358	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+K"	38.963158
"750136"	683.982958	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+K"	38.963158
"1555113"	253.969758	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+K"	38.963158
"312286"	234.991817	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+H+K"	39.970434
"694499"	342.495117	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+H+K"	39.970434
"1452697"	127.488517	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H+K"	39.970434
"249686"	472.047026	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+ACN+H"	42.033826
"1223489"	257.040426	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+ACN+H"	42.033826
"1209363"	129.023851	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+ACN+2H"	43.041102
"203041"	474.98436	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+2Na-H"	44.97116
"641260"	689.99096	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+2Na-H"	44.97116
"1145739"	259.97776	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2Na-H"	44.97116
"187902"	237.995818	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+2Na"	45.978436
"627022"	345.499118	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+2Na"	45.978436
"1130040"	130.492518	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2Na"	45.978436
"1411373"	87.3307706666667	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H+2Na"	46.985712
"1443977"	262.019346	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H+HCOOH"	47.012746
"233184"	243.02884	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+3H2O+2H"	56.04448
"1521247"	276.07139	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+IsoProp+H"	61.06479
"422877"	245.982788	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+Na+K"	61.952376
"781930"	353.486088	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+Na+K"	61.952376
"1670605"	138.479488	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Na+K"	61.952376
"263324"	494.028968	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+ACN+Na"	64.015768
"1238219"	279.022368	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+ACN+Na"	64.015768
"1726010"	279.045893	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+NH4+HCOOH"	64.039293
"1190635"	94.6580846666667	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+3Na"	68.967654
"1661987"	284.001288	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Na+HCOOH"	68.994688
"168118"	506.93224	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+2K-H"	76.91904
"610592"	721.93884	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+2K-H"	76.91904
"1095105"	291.92564	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2K-H"	76.91904
"150827"	253.969758	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"2M+2K"	77.926316
"594769"	361.473058	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"3M+2K"	77.926316
"1080009"	146.466458	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2K"	77.926316
"1114073"	293.940192	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2K+H"	78.933592
"1349242"	294.027807	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+DMSO+H"	79.021207
"1011571"	298.066976	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2ACN+H"	83.060376
"1532977"	299.060608	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+IsoProp+Na+H"	84.054008
"1001613"	149.537126	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+2ACN+2H"	84.067652
"1599397"	299.975228	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+K+HCOOH"	84.968628
"1427243"	330.006738	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+H+CF3COOH"	115.000138
"1156436"	170.050401	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+3ACN+2H"	125.094202
"1697967"	347.033285	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+NH4+CF3COOH"	132.026685
"1635440"	351.98868	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+Na+CF3COOH"	136.98208
"1571493"	367.96262	"C20367"	"4-Nitro-6-oxohepta-24-dienedioate"	"C7H5NO7"	"215.0066"	"M+K+CF3COOH"	152.95602
"806562"	910.6452	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M"	0
"978273"	891.62681	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-H2O-H"	-19.01839
"67244"	606.089524	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M-3H"	-3.021828
"507899"	909.637924	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M-3H"	-3.021828
"884607"	302.541124	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-3H"	-3.021828
"6461"	909.637924	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M-2H"	-2.014552
"446029"	1364.960524	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M-2H"	-2.014552
"821278"	454.315324	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-2H"	-2.014552
"86012"	1820.283124	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M-H"	-1.007276
"523749"	2730.928324	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M-H"	-1.007276
"904468"	909.637924	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-H"	-1.007276
"56292"	1837.309671	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M-2H+NH4"	16.019271
"490382"	2747.954871	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M-2H+NH4"	16.019271
"876208"	926.664471	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-2H+NH4"	16.019271
"43744"	1842.265066	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M-2H+Na"	20.974666
"483670"	2752.910266	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M-2H+Na"	20.974666
"862567"	931.619866	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-2H+Na"	20.974666
"1631006"	931.619866	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Na-2H"	20.974666
"109980"	927.626263	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M-H+Cl"	33.962126
"548926"	1382.948863	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M-H+Cl"	33.962126
"940618"	472.303663	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-H+Cl"	33.962126
"275893"	1856.259802	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+Cl"	34.969402
"666127"	2766.905002	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+Cl"	34.969402
"1281809"	945.614602	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Cl"	34.969402
"24363"	1858.239006	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M-2H+K"	36.948606
"465016"	2768.884206	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M-2H+K"	36.948606
"837352"	947.593806	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-2H+K"	36.948606
"1564127"	947.593806	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+K-2H"	36.948606
"945812"	955.643394	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-H+HCOOH"	44.998194
"361840"	1866.288601	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+HCOOH-H"	44.998201
"346450"	1880.304251	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+Hac-H"	59.013851
"1492865"	969.659051	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Hac-H"	59.013851
"965017"	977.625351	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-H+NaCOOH"	66.980151
"120485"	945.614602	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+2Cl"	69.938804
"564422"	1400.937202	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+2Cl"	69.938804
"1032128"	490.292002	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2Cl"	69.938804
"1250612"	989.564085	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Br"	78.918885
"1311968"	991.620072	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Cl+HCOOH"	80.974872
"1328371"	1013.602029	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Cl+NaCOOH"	102.956829
"920523"	1023.630786	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M-H+CF3COOH"	112.985586
"1295043"	1059.607464	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Cl+CF3COOH"	148.962264
"1375390"	875.632524	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H-2H2O"	-35.012676
"1389608"	893.6425	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H-H2O"	-17.0027
"288203"	1822.297676	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+H"	1.007276
"679530"	2732.942876	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+H"	1.007276
"1359162"	911.652476	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H"	1.007276
"132051"	911.652476	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+2H"	2.014552
"578172"	1366.975076	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+2H"	2.014552
"1046971"	456.329876	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2H"	2.014552
"213780"	608.104076	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+3H"	3.021828
"652250"	911.652476	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+3H"	3.021828
"1167825"	304.555676	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+3H"	3.021828
"428180"	1839.324223	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+NH4"	18.033823
"797928"	2749.969423	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+NH4"	18.033823
"1696085"	928.679023	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+NH4"	18.033823
"344728"	920.1657495	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+H+NH4"	19.041099
"736055"	1375.4883495	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+H+NH4"	19.041099
"1492679"	464.8431495	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H+NH4"	19.041099
"408323"	1844.279618	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+Na"	22.989218
"768587"	2754.924818	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+Na"	22.989218
"1617169"	933.634418	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Na"	22.989218
"327689"	922.643447	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+H+Na"	23.996494
"722307"	1377.966047	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+H+Na"	23.996494
"1476942"	467.320847	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H+Na"	23.996494
"1067789"	311.88299	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2H+Na"	25.00377
"1269218"	943.678686	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+CH3OH+H"	33.033486
"391442"	1860.253558	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+K"	38.963158
"750246"	2770.898758	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+K"	38.963158
"1555500"	949.608358	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+K"	38.963158
"313938"	930.630417	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+H+K"	39.970434
"698984"	1385.953017	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+H+K"	39.970434
"1453900"	475.307817	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H+K"	39.970434
"250526"	1863.324226	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+ACN+H"	42.033826
"1224571"	952.679026	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+ACN+H"	42.033826
"1209827"	476.843151	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+ACN+2H"	43.041102
"203880"	1866.26156	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+2Na-H"	44.97116
"643192"	2776.90676	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+2Na-H"	44.97116
"1146981"	955.61636	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2Na-H"	44.97116
"188296"	933.634418	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+2Na"	45.978436
"627010"	1388.957018	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+2Na"	45.978436
"1129420"	478.311818	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2Na"	45.978436
"1413307"	319.210304	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H+2Na"	46.985712
"1444578"	957.657946	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H+HCOOH"	47.012746
"235568"	938.66744	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+3H2O+2H"	56.04448
"1524078"	971.70999	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+IsoProp+H"	61.06479
"422136"	941.621388	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+Na+K"	61.952376
"782769"	1396.943988	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+Na+K"	61.952376
"1675088"	486.298788	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Na+K"	61.952376
"263434"	1885.306168	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+ACN+Na"	64.015768
"1238329"	974.660968	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+ACN+Na"	64.015768
"1725757"	974.684493	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+NH4+HCOOH"	64.039293
"1191477"	326.537618	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+3Na"	68.967654
"1660638"	979.639888	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Na+HCOOH"	68.994688
"167134"	1898.20944	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+2K-H"	76.91904
"611067"	2808.85464	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+2K-H"	76.91904
"1095215"	987.56424	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2K-H"	76.91904
"152396"	949.608358	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"2M+2K"	77.926316
"595852"	1404.930958	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"3M+2K"	77.926316
"1082915"	494.285758	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2K"	77.926316
"1111142"	989.578792	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2K+H"	78.933592
"1347528"	989.666407	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+DMSO+H"	79.021207
"1014961"	993.705576	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2ACN+H"	83.060376
"1533087"	994.699208	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+IsoProp+Na+H"	84.054008
"1002816"	497.356426	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+2ACN+2H"	84.067652
"1600600"	995.613828	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+K+HCOOH"	84.968628
"1428446"	1025.645338	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+H+CF3COOH"	115.000138
"1156546"	517.869701	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+3ACN+2H"	125.094202
"1699171"	1042.671885	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+NH4+CF3COOH"	132.026685
"1635914"	1047.62728	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+Na+CF3COOH"	136.98208
"1571928"	1063.60122	"C20368"	"transoctacis-Decaprenylphospho-beta-D-ribofuranose"	"C55H91O8P"	"910.6452"	"M+K+CF3COOH"	152.95602
"806672"	908.6295	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M"	0
"978019"	889.61111	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-H2O-H"	-19.01839
"73914"	604.745724	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M-3H"	-3.021828
"508009"	907.622224	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M-3H"	-3.021828
"887997"	301.869224	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-3H"	-3.021828
"9851"	907.622224	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M-2H"	-2.014552
"446139"	1361.936974	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M-2H"	-2.014552
"827221"	453.307474	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-2H"	-2.014552
"89402"	1816.251724	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M-H"	-1.007276
"526775"	2724.881224	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M-H"	-1.007276
"904578"	907.622224	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-H"	-1.007276
"55309"	1833.278271	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M-2H+NH4"	16.019271
"494868"	2741.907771	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M-2H+NH4"	16.019271
"876318"	924.648771	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-2H+NH4"	16.019271
"43125"	1838.233666	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M-2H+Na"	20.974666
"483782"	2746.863166	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M-2H+Na"	20.974666
"863985"	929.604166	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-2H+Na"	20.974666
"1634130"	929.604166	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Na-2H"	20.974666
"109601"	925.610563	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M-H+Cl"	33.962126
"547577"	1379.925313	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M-H+Cl"	33.962126
"935261"	471.295813	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-H+Cl"	33.962126
"281472"	1852.228402	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+Cl"	34.969402
"670612"	2760.857902	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+Cl"	34.969402
"1279733"	943.598902	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Cl"	34.969402
"23380"	1854.207606	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M-2H+K"	36.948606
"461848"	2762.837106	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M-2H+K"	36.948606
"837462"	945.578106	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-2H+K"	36.948606
"1563142"	945.578106	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+K-2H"	36.948606
"945558"	953.627694	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-H+HCOOH"	44.998194
"361599"	1862.257201	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+HCOOH-H"	44.998201
"346925"	1876.272851	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+Hac-H"	59.013851
"1494301"	967.643351	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Hac-H"	59.013851
"965127"	975.609651	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-H+NaCOOH"	66.980151
"119502"	943.598902	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+2Cl"	69.938804
"563437"	1397.913652	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+2Cl"	69.938804
"1032236"	489.284152	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2Cl"	69.938804
"1250722"	987.548385	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Br"	78.918885
"1308795"	989.604372	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Cl+HCOOH"	80.974872
"1333584"	1011.586329	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Cl+NaCOOH"	102.956829
"919540"	1021.615086	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M-H+CF3COOH"	112.985586
"1295153"	1057.591764	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Cl+CF3COOH"	148.962264
"1368940"	873.616824	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H-2H2O"	-35.012676
"1384252"	891.6268	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H-H2O"	-17.0027
"293783"	1818.266276	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+H"	1.007276
"684016"	2726.895776	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+H"	1.007276
"1359272"	909.636776	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H"	1.007276
"132161"	909.636776	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+2H"	2.014552
"578282"	1363.951526	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+2H"	2.014552
"1043801"	455.322026	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2H"	2.014552
"209518"	606.760276	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+3H"	3.021828
"652360"	909.636776	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+3H"	3.021828
"1167571"	303.883776	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+3H"	3.021828
"427197"	1835.292823	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+NH4"	18.033823
"799131"	2743.922323	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+NH4"	18.033823
"1693279"	926.663323	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+NH4"	18.033823
"343746"	918.1500495	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+H+NH4"	19.041099
"735437"	1372.4647995	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+H+NH4"	19.041099
"1492616"	463.8352995	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H+NH4"	19.041099
"408146"	1840.248218	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+Na"	22.989218
"769060"	2748.877718	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+Na"	22.989218
"1616308"	931.618718	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Na"	22.989218
"327071"	920.627747	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+H+Na"	23.996494
"722542"	1374.942497	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+H+Na"	23.996494
"1476931"	466.312997	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H+Na"	23.996494
"1068224"	311.21109	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2H+Na"	25.00377
"1268235"	941.662986	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+CH3OH+H"	33.033486
"390824"	1856.222158	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+K"	38.963158
"749992"	2764.851658	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+K"	38.963158
"1555094"	947.592658	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+K"	38.963158
"313238"	928.614717	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+H+K"	39.970434
"696907"	1382.929467	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+H+K"	39.970434
"1451821"	474.299967	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H+K"	39.970434
"251166"	1859.292826	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+ACN+H"	42.033826
"1225175"	950.663326	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+ACN+H"	42.033826
"1209706"	475.835301	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+ACN+2H"	43.041102
"203868"	1862.23016	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+2Na-H"	44.97116
"642939"	2770.85966	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+2Na-H"	44.97116
"1147043"	953.60066	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2Na-H"	44.97116
"188493"	931.618718	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+2Na"	45.978436
"626755"	1385.933468	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+2Na"	45.978436
"1129894"	477.303968	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2Na"	45.978436
"1413052"	318.538404	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H+2Na"	46.985712
"1444439"	955.642246	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H+HCOOH"	47.012746
"235473"	936.65174	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+3H2O+2H"	56.04448
"1524077"	969.69429	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+IsoProp+H"	61.06479
"421882"	939.605688	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+Na+K"	61.952376
"782879"	1393.920438	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+Na+K"	61.952376
"1675198"	485.290938	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Na+K"	61.952376
"261721"	1881.274768	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+ACN+Na"	64.015768
"1238802"	972.645268	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+ACN+Na"	64.015768
"1725501"	972.668793	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+NH4+HCOOH"	64.039293
"1191587"	325.865718	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+3Na"	68.967654
"1662570"	977.624188	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Na+HCOOH"	68.994688
"170890"	1894.17804	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+2K-H"	76.91904
"611542"	2802.80754	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+2K-H"	76.91904
"1094596"	985.54854	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2K-H"	76.91904
"153235"	947.592658	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"2M+2K"	77.926316
"593530"	1401.907408	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"3M+2K"	77.926316
"1082415"	493.277908	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2K"	77.926316
"1113438"	987.563092	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2K+H"	78.933592
"1347638"	987.650707	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+DMSO+H"	79.021207
"1012885"	991.689876	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2ACN+H"	83.060376
"1533197"	992.683508	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+IsoProp+Na+H"	84.054008
"997457"	496.348576	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+2ACN+2H"	84.067652
"1599617"	993.598128	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+K+HCOOH"	84.968628
"1419808"	1023.629638	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+H+CF3COOH"	115.000138
"1153376"	516.861851	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+3ACN+2H"	125.094202
"1698917"	1040.656185	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+NH4+CF3COOH"	132.026685
"1636753"	1045.61158	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+Na+CF3COOH"	136.98208
"1571794"	1061.58552	"C20369"	"transoctacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose"	"C55H89O8P"	"908.6295"	"M+K+CF3COOH"	152.95602
"813342"	910.6452	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M"	0
"985784"	891.62681	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-H2O-H"	-19.01839
"74026"	606.089524	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M-3H"	-3.021828
"516748"	909.637924	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M-3H"	-3.021828
"892482"	302.541124	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-3H"	-3.021828
"8868"	909.637924	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M-2H"	-2.014552
"454394"	1364.960524	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M-2H"	-2.014552
"829519"	454.315324	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-2H"	-2.014552
"93973"	1820.283124	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M-H"	-1.007276
"532112"	2730.928324	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M-H"	-1.007276
"909187"	909.637924	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-H"	-1.007276
"62107"	1837.309671	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M-2H+NH4"	16.019271
"502034"	2747.954871	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M-2H+NH4"	16.019271
"878620"	926.664471	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-2H+NH4"	16.019271
"46648"	1842.265066	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M-2H+Na"	20.974666
"486083"	2752.910266	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M-2H+Na"	20.974666
"863406"	931.619866	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-2H+Na"	20.974666
"1633424"	931.619866	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Na-2H"	20.974666
"108857"	927.626263	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M-H+Cl"	33.962126
"546230"	1382.948863	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M-H+Cl"	33.962126
"940837"	472.303663	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-H+Cl"	33.962126
"281582"	1856.259802	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+Cl"	34.969402
"670722"	2766.905002	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+Cl"	34.969402
"1277658"	945.614602	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Cl"	34.969402
"24586"	1858.239006	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M-2H+K"	36.948606
"464147"	2768.884206	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M-2H+K"	36.948606
"836482"	947.593806	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-2H+K"	36.948606
"1565441"	947.593806	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+K-2H"	36.948606
"947856"	955.643394	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-H+HCOOH"	44.998194
"362425"	1866.288601	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+HCOOH-H"	44.998201
"347035"	1880.304251	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+Hac-H"	59.013851
"1496600"	969.659051	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Hac-H"	59.013851
"965237"	977.625351	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-H+NaCOOH"	66.980151
"119612"	945.614602	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+2Cl"	69.938804
"562454"	1400.937202	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+2Cl"	69.938804
"1031252"	490.292002	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2Cl"	69.938804
"1250832"	989.564085	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Br"	78.918885
"1313280"	991.620072	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Cl+HCOOH"	80.974872
"1323121"	1013.602029	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Cl+NaCOOH"	102.956829
"914182"	1023.630786	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M-H+CF3COOH"	112.985586
"1295264"	1059.607464	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Cl+CF3COOH"	148.962264
"1377799"	875.632524	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H-2H2O"	-35.012676
"1390921"	893.6425	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H-H2O"	-17.0027
"291704"	1822.297676	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+H"	1.007276
"684126"	2732.942876	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+H"	1.007276
"1353915"	911.652476	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H"	1.007276
"134458"	911.652476	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+2H"	2.014552
"572924"	1366.975076	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+2H"	2.014552
"1042816"	456.329876	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2H"	2.014552
"211816"	608.104076	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+3H"	3.021828
"651377"	911.652476	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+3H"	3.021828
"1173878"	304.555676	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+3H"	3.021828
"432776"	1839.324223	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+NH4"	18.033823
"800334"	2749.969423	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+NH4"	18.033823
"1695577"	928.679023	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+NH4"	18.033823
"345068"	920.1657495	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+H+NH4"	19.041099
"736276"	1375.4883495	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+H+NH4"	19.041099
"1491806"	464.8431495	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H+NH4"	19.041099
"406229"	1844.279618	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+Na"	22.989218
"768807"	2754.924818	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+Na"	22.989218
"1616416"	933.634418	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Na"	22.989218
"326818"	922.643447	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+H+Na"	23.996494
"719605"	1377.966047	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+H+Na"	23.996494
"1472695"	467.320847	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H+Na"	23.996494
"1067888"	311.88299	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2H+Na"	25.00377
"1269076"	943.678686	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+CH3OH+H"	33.033486
"390204"	1860.253558	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+K"	38.963158
"752413"	2770.898758	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+K"	38.963158
"1555082"	949.608358	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+K"	38.963158
"313593"	930.630417	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+H+K"	39.970434
"699204"	1385.953017	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+H+K"	39.970434
"1452295"	475.307817	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H+K"	39.970434
"244911"	1863.324226	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+ACN+H"	42.033826
"1225597"	952.679026	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+ACN+H"	42.033826
"1208920"	476.843151	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+ACN+2H"	43.041102
"204182"	1866.26156	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+2Na-H"	44.97116
"640860"	2776.90676	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+2Na-H"	44.97116
"1145705"	955.61636	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2Na-H"	44.97116
"186206"	933.634418	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+2Na"	45.978436
"626135"	1388.957018	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+2Na"	45.978436
"1128911"	478.311818	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2Na"	45.978436
"1412069"	319.210304	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H+2Na"	46.985712
"1445279"	957.657946	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H+HCOOH"	47.012746
"235425"	938.66744	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+3H2O+2H"	56.04448
"1523036"	971.70999	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+IsoProp+H"	61.06479
"423818"	941.621388	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+Na+K"	61.952376
"781532"	1396.943988	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+Na+K"	61.952376
"1676039"	486.298788	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Na+K"	61.952376
"261467"	1885.306168	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+ACN+Na"	64.015768
"1238914"	974.660968	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+ACN+Na"	64.015768
"1728254"	974.684493	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+NH4+HCOOH"	64.039293
"1191697"	326.537618	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+3Na"	68.967654
"1663047"	979.639888	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Na+HCOOH"	68.994688
"172219"	1898.20944	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+2K-H"	76.91904
"611292"	2808.85464	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+2K-H"	76.91904
"1097261"	987.56424	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2K-H"	76.91904
"152986"	949.608358	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"2M+2K"	77.926316
"592547"	1404.930958	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"3M+2K"	77.926316
"1080703"	494.285758	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2K"	77.926316
"1109904"	989.578792	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2K+H"	78.933592
"1346653"	989.666407	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+DMSO+H"	79.021207
"1011901"	993.705576	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2ACN+H"	83.060376
"1530027"	994.699208	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+IsoProp+Na+H"	84.054008
"991612"	497.356426	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+2ACN+2H"	84.067652
"1598634"	995.613828	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+K+HCOOH"	84.968628
"1419918"	1025.645338	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+H+CF3COOH"	115.000138
"1149112"	517.869701	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+3ACN+2H"	125.094202
"1700847"	1042.671885	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+NH4+CF3COOH"	132.026685
"1635405"	1047.62728	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+Na+CF3COOH"	136.98208
"1573244"	1063.60122	"C20370"	"transoctacis-Decaprenylphospho-beta-D-arabinofuranose"	"C55H91O8P"	"910.6452"	"M+K+CF3COOH"	152.95602
"810172"	197.1052	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M"	0
"983707"	178.08681	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-H2O-H"	-19.01839
"69760"	130.396190666667	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M-3H"	-3.021828
"510416"	196.097924	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M-3H"	-3.021828
"888217"	64.6944573333333	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-3H"	-3.021828
"5698"	196.097924	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M-2H"	-2.014552
"447452"	294.650524	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M-2H"	-2.014552
"824159"	97.545324	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-2H"	-2.014552
"87433"	393.203124	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M-H"	-1.007276
"523714"	590.308324	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M-H"	-1.007276
"909539"	196.097924	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-H"	-1.007276
"61609"	410.229671	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M-2H+NH4"	16.019271
"501540"	607.334871	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M-2H+NH4"	16.019271
"878002"	213.124471	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-2H+NH4"	16.019271
"46393"	415.185066	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M-2H+Na"	20.974666
"485344"	612.290266	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M-2H+Na"	20.974666
"863515"	218.079866	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-2H+Na"	20.974666
"1633289"	218.079866	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Na-2H"	20.974666
"108601"	214.086263	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M-H+Cl"	33.962126
"544153"	312.638863	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M-H+Cl"	33.962126
"940706"	115.533663	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-H+Cl"	33.962126
"280722"	429.179802	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+Cl"	34.969402
"662084"	626.285002	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+Cl"	34.969402
"1277768"	232.074602	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Cl"	34.969402
"27976"	431.159006	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M-2H+K"	36.948606
"467173"	628.264206	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M-2H+K"	36.948606
"836592"	234.053806	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-2H+K"	36.948606
"1565551"	234.053806	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+K-2H"	36.948606
"947966"	242.103394	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-H+HCOOH"	44.998194
"361643"	439.208601	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+HCOOH-H"	44.998201
"346091"	453.224251	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+Hac-H"	59.013851
"1496710"	256.119051	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Hac-H"	59.013851
"965347"	264.085351	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-H+NaCOOH"	66.980151
"121544"	232.074602	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+2Cl"	69.938804
"560378"	330.627202	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+2Cl"	69.938804
"1031362"	133.522002	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2Cl"	69.938804
"1247662"	276.024085	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Br"	78.918885
"1312296"	278.080072	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Cl+HCOOH"	80.974872
"1323231"	300.062029	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Cl+NaCOOH"	102.956829
"915384"	310.090786	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M-H+CF3COOH"	112.985586
"1293186"	346.067464	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Cl+CF3COOH"	148.962264
"1377909"	162.092524	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H-2H2O"	-35.012676
"1385564"	180.1025	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H-H2O"	-17.0027
"288533"	395.217676	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+H"	1.007276
"682048"	592.322876	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+H"	1.007276
"1355116"	198.112476	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H"	1.007276
"129101"	198.112476	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+2H"	2.014552
"573034"	296.665076	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+2H"	2.014552
"1041832"	99.559876	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2H"	2.014552
"207551"	132.410742666667	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+3H"	3.021828
"650394"	198.112476	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+3H"	3.021828
"1167426"	66.7090093333333	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+3H"	3.021828
"432887"	412.244223	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+NH4"	18.033823
"801053"	609.349423	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+NH4"	18.033823
"1696662"	215.139023	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+NH4"	18.033823
"345464"	206.6257495	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+H+NH4"	19.041099
"737482"	305.1783495	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+H+NH4"	19.041099
"1490211"	108.0731495	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H+NH4"	19.041099
"406704"	417.199618	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+Na"	22.989218
"768794"	614.304818	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+Na"	22.989218
"1615434"	220.094418	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Na"	22.989218
"326199"	209.103447	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+H+Na"	23.996494
"718985"	307.656047	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+H+Na"	23.996494
"1474263"	110.550847	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H+Na"	23.996494
"1067996"	74.0363233333333	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2H+Na"	25.00377
"1271987"	230.138686	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+CH3OH+H"	33.033486
"391408"	433.173558	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+K"	38.963158
"751306"	630.278758	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+K"	38.963158
"1555497"	236.068358	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+K"	38.963158
"313706"	217.090417	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+H+K"	39.970434
"701502"	315.643017	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+H+K"	39.970434
"1453135"	118.537817	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H+K"	39.970434
"247572"	436.244226	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+ACN+H"	42.033826
"1225154"	239.139026	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+ACN+H"	42.033826
"1208179"	120.073151	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+ACN+2H"	43.041102
"203930"	439.18156	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+2Na-H"	44.97116
"639877"	636.28676	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+2Na-H"	44.97116
"1145571"	242.07636	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2Na-H"	44.97116
"187046"	220.094418	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+2Na"	45.978436
"625153"	318.647018	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+2Na"	45.978436
"1129754"	121.541818	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2Na"	45.978436
"1412915"	81.3636373333333	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H+2Na"	46.985712
"1443937"	244.117946	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H+HCOOH"	47.012746
"235092"	225.12744	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+3H2O+2H"	56.04448
"1522422"	258.16999	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+IsoProp+H"	61.06479
"421740"	228.081388	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+Na+K"	61.952376
"783102"	326.633988	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+Na+K"	61.952376
"1678703"	129.528788	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Na+K"	61.952376
"266314"	458.226168	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+ACN+Na"	64.015768
"1240120"	261.120968	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+ACN+Na"	64.015768
"1728419"	261.144493	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+NH4+HCOOH"	64.039293
"1191442"	88.6909513333333	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+3Na"	68.967654
"1663156"	266.099888	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Na+HCOOH"	68.994688
"172208"	471.12944	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+2K-H"	76.91904
"610308"	668.23464	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+2K-H"	76.91904
"1098709"	274.02424	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2K-H"	76.91904
"155404"	236.068358	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"2M+2K"	77.926316
"593385"	334.620958	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"3M+2K"	77.926316
"1082149"	137.515758	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2K"	77.926316
"1111107"	276.038792	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2K+H"	78.933592
"1344576"	276.126407	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+DMSO+H"	79.021207
"1014927"	280.165576	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2ACN+H"	83.060376
"1532324"	281.159208	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+IsoProp+Na+H"	84.054008
"991236"	140.586426	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+2ACN+2H"	84.067652
"1600931"	282.073828	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+K+HCOOH"	84.968628
"1420028"	312.105338	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+H+CF3COOH"	115.000138
"1148493"	161.099701	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+3ACN+2H"	125.094202
"1699864"	329.131885	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+NH4+CF3COOH"	132.026685
"1635272"	334.08728	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+Na+CF3COOH"	136.98208
"1573354"	350.06122	"C20371"	"Ecgonone methyl ester"	"C10H15NO3"	"197.1052"	"M+K+CF3COOH"	152.95602
"815759"	254.1419	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M"	0
"988929"	235.12351	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-H2O-H"	-19.01839
"75349"	168.420657333333	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M-3H"	-3.021828
"513815"	253.134624	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M-3H"	-3.021828
"893444"	83.7066906666667	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-3H"	-3.021828
"13114"	253.134624	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M-2H"	-2.014552
"454871"	380.205574	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M-2H"	-2.014552
"832190"	126.063674	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-2H"	-2.014552
"93399"	507.276524	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M-H"	-1.007276
"532962"	761.418424	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M-H"	-1.007276
"909912"	253.134624	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-H"	-1.007276
"60270"	524.303071	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M-2H+NH4"	16.019271
"501167"	778.444971	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M-2H+NH4"	16.019271
"876657"	270.161171	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-2H+NH4"	16.019271
"45660"	529.258466	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M-2H+Na"	20.974666
"486191"	783.400366	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M-2H+Na"	20.974666
"861922"	275.116566	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-2H+Na"	20.974666
"1631091"	275.116566	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Na-2H"	20.974666
"109730"	271.122963	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M-H+Cl"	33.962126
"545354"	398.193913	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M-H+Cl"	33.962126
"932310"	144.052013	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-H+Cl"	33.962126
"277430"	543.253202	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+Cl"	34.969402
"664386"	797.395102	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+Cl"	34.969402
"1277882"	289.111302	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Cl"	34.969402
"28096"	545.232406	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M-2H+K"	36.948606
"468387"	799.374306	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M-2H+K"	36.948606
"842177"	291.090506	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-2H+K"	36.948606
"1569679"	291.090506	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+K-2H"	36.948606
"957197"	299.140094	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-H+HCOOH"	44.998194
"375052"	553.282001	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+HCOOH-H"	44.998201
"357841"	567.297651	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+Hac-H"	59.013851
"1505581"	313.155751	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Hac-H"	59.013851
"969841"	321.122051	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-H+NaCOOH"	66.980151
"122030"	289.111302	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+2Cl"	69.938804
"561588"	416.182252	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+2Cl"	69.938804
"1033666"	162.040352	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2Cl"	69.938804
"1251060"	333.060785	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Br"	78.918885
"1317883"	335.116772	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Cl+HCOOH"	80.974872
"1332468"	357.098729	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Cl+NaCOOH"	102.956829
"923887"	367.127486	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M-H+CF3COOH"	112.985586
"1300598"	403.104164	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Cl+CF3COOH"	148.962264
"1381310"	219.129224	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H-2H2O"	-35.012676
"1396255"	237.1392	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H-H2O"	-17.0027
"294117"	509.291076	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+H"	1.007276
"687269"	763.432976	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+H"	1.007276
"1361794"	255.149176	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H"	1.007276
"129217"	255.149176	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+2H"	2.014552
"578990"	382.220126	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+2H"	2.014552
"1050704"	128.078226	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2H"	2.014552
"219331"	170.435209333333	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+3H"	3.021828
"659743"	255.149176	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+3H"	3.021828
"1176900"	85.7212426666667	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+3H"	3.021828
"439205"	526.317623	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+NH4"	18.033823
"800562"	780.459523	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+NH4"	18.033823
"1695437"	272.175723	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+NH4"	18.033823
"344441"	263.6624495	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+H+NH4"	19.041099
"736135"	390.7333995	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+H+NH4"	19.041099
"1489224"	136.5914995	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H+NH4"	19.041099
"406812"	531.273018	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+Na"	22.989218
"763430"	785.414918	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+Na"	22.989218
"1612623"	277.131118	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Na"	22.989218
"325953"	266.140147	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+H+Na"	23.996494
"721289"	393.211097	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+H+Na"	23.996494
"1472190"	139.069197	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H+Na"	23.996494
"1063249"	93.0485566666667	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2H+Na"	25.00377
"1267113"	287.175386	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+CH3OH+H"	33.033486
"387875"	547.246958	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+K"	38.963158
"748871"	801.388858	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+K"	38.963158
"1545457"	293.105058	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+K"	38.963158
"309924"	274.127117	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+H+K"	39.970434
"702346"	401.198067	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+H+K"	39.970434
"1456895"	147.056167	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H+K"	39.970434
"250247"	550.317626	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+ACN+H"	42.033826
"1223687"	296.175726	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+ACN+H"	42.033826
"1207572"	148.591501	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+ACN+2H"	43.041102
"201172"	553.25496	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+2Na-H"	44.97116
"642189"	807.39686	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+2Na-H"	44.97116
"1144602"	299.11306	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2Na-H"	44.97116
"186794"	277.131118	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+2Na"	45.978436
"625993"	404.202068	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+2Na"	45.978436
"1129866"	150.060168	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2Na"	45.978436
"1412292"	100.375870666667	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H+2Na"	46.985712
"1444410"	301.154646	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H+HCOOH"	47.012746
"233741"	282.16414	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+3H2O+2H"	56.04448
"1521076"	315.20669	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+IsoProp+H"	61.06479
"421491"	285.118088	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+Na+K"	61.952376
"785036"	412.189038	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+Na+K"	61.952376
"1679545"	158.047138	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Na+K"	61.952376
"263874"	572.299568	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+ACN+Na"	64.015768
"1237313"	318.157668	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+ACN+Na"	64.015768
"1721459"	318.181193	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+NH4+HCOOH"	64.039293
"1187177"	107.703184666667	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+3Na"	68.967654
"1657797"	323.136588	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Na+HCOOH"	68.994688
"164659"	585.20284	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+2K-H"	76.91904
"604950"	839.34474	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+2K-H"	76.91904
"1092744"	331.06094	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2K-H"	76.91904
"149560"	293.105058	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"2M+2K"	77.926316
"589484"	420.176008	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"3M+2K"	77.926316
"1076183"	166.034108	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2K"	77.926316
"1111216"	333.075492	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2K+H"	78.933592
"1341403"	333.163107	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+DMSO+H"	79.021207
"1012121"	337.202276	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2ACN+H"	83.060376
"1530247"	338.195908	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+IsoProp+Na+H"	84.054008
"992320"	169.104776	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+2ACN+2H"	84.067652
"1598853"	339.110528	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+K+HCOOH"	84.968628
"1420139"	369.142038	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+H+CF3COOH"	115.000138
"1155896"	189.618051	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+3ACN+2H"	125.094202
"1709822"	386.168585	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+NH4+CF3COOH"	132.026685
"1638914"	391.12398	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+Na+CF3COOH"	136.98208
"1573472"	407.09792	"C20379"	"Chanoclavine-I aldehyde"	"C16H18N2O"	"254.1419"	"M+K+CF3COOH"	152.95602
"812591"	320.126	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M"	0
"983936"	301.10761	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-H2O-H"	-19.01839
"66712"	212.410057333333	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M-3H"	-3.021828
"510644"	319.118724	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M-3H"	-3.021828
"891732"	105.701390666667	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-3H"	-3.021828
"15627"	319.118724	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M-2H"	-2.014552
"455652"	479.181724	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M-2H"	-2.014552
"832291"	159.055724	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-2H"	-2.014552
"93627"	639.244724	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M-H"	-1.007276
"533677"	959.370724	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M-H"	-1.007276
"910138"	319.118724	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-H"	-1.007276
"62450"	656.271271	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M-2H+NH4"	16.019271
"502094"	976.397271	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M-2H+NH4"	16.019271
"877860"	336.145271	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-2H+NH4"	16.019271
"46937"	661.226666	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M-2H+Na"	20.974666
"486294"	981.352666	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M-2H+Na"	20.974666
"860937"	341.100666	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-2H+Na"	20.974666
"1628284"	341.100666	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Na-2H"	20.974666
"104812"	337.107063	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M-H+Cl"	33.962126
"542186"	497.170063	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M-H+Cl"	33.962126
"929504"	177.044063	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-H+Cl"	33.962126
"277540"	675.221402	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+Cl"	34.969402
"664496"	995.347402	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+Cl"	34.969402
"1281273"	355.095402	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Cl"	34.969402
"27111"	677.200606	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M-2H+K"	36.948606
"465579"	997.326606	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M-2H+K"	36.948606
"845569"	357.074606	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-2H+K"	36.948606
"1567964"	357.074606	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+K-2H"	36.948606
"951474"	365.124194	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-H+HCOOH"	44.998194
"370784"	685.250201	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+HCOOH-H"	44.998201
"356855"	699.265851	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+Hac-H"	59.013851
"1503500"	379.139851	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Hac-H"	59.013851
"969950"	387.106151	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-H+NaCOOH"	66.980151
"118858"	355.095402	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+2Cl"	69.938804
"561698"	515.158402	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+2Cl"	69.938804
"1034508"	195.032402	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2Cl"	69.938804
"1254450"	399.044885	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Br"	78.918885
"1316537"	401.100872	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Cl+HCOOH"	80.974872
"1332213"	423.082829	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Cl+NaCOOH"	102.956829
"922540"	433.111586	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M-H+CF3COOH"	112.985586
"1300344"	469.088264	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Cl+CF3COOH"	148.962264
"1379235"	285.113324	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H-2H2O"	-35.012676
"1394908"	303.1233	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H-H2O"	-17.0027
"292041"	641.259276	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+H"	1.007276
"680088"	961.385276	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+H"	1.007276
"1355343"	321.133276	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H"	1.007276
"135527"	321.133276	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+2H"	2.014552
"574357"	481.196276	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+2H"	2.014552
"1046437"	161.070276	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2H"	2.014552
"217621"	214.424609333333	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+3H"	3.021828
"658638"	321.133276	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+3H"	3.021828
"1177129"	107.715942666667	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+3H"	3.021828
"438219"	658.285823	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+NH4"	18.033823
"799580"	978.411823	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+NH4"	18.033823
"1695184"	338.159823	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+NH4"	18.033823
"343456"	329.6465495	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+H+NH4"	19.041099
"735877"	489.7095495	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+H+NH4"	19.041099
"1489333"	169.5835495	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H+NH4"	19.041099
"405827"	663.241218	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+Na"	22.989218
"769011"	983.367218	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+Na"	22.989218
"1616743"	343.115218	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Na"	22.989218
"327884"	332.124247	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+H+Na"	23.996494
"721761"	492.187247	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+H+Na"	23.996494
"1470111"	172.061247	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H+Na"	23.996494
"1060078"	115.043256666667	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2H+Na"	25.00377
"1263942"	353.159486	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+CH3OH+H"	33.033486
"382516"	679.215158	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+K"	38.963158
"744967"	999.341158	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+K"	38.963158
"1545567"	359.089158	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+K"	38.963158
"308941"	340.111217	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+H+K"	39.970434
"706802"	500.174217	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+H+K"	39.970434
"1460782"	180.048217	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H+K"	39.970434
"251004"	682.285826	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+ACN+H"	42.033826
"1222336"	362.159826	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+ACN+H"	42.033826
"1209584"	181.583551	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+ACN+2H"	43.041102
"203345"	685.22316	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+2Na-H"	44.97116
"642906"	1005.34916	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+2Na-H"	44.97116
"1145801"	365.09716	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2Na-H"	44.97116
"186906"	343.115218	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+2Na"	45.978436
"626464"	503.178218	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+2Na"	45.978436
"1129608"	183.052218	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2Na"	45.978436
"1411671"	122.370570666667	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H+2Na"	46.985712
"1444721"	367.138746	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H+HCOOH"	47.012746
"234824"	348.14824	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+3H2O+2H"	56.04448
"1522642"	381.19079	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+IsoProp+H"	61.06479
"422693"	351.102188	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+Na+K"	61.952376
"782230"	511.165188	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+Na+K"	61.952376
"1677105"	191.039188	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Na+K"	61.952376
"262161"	704.267768	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+ACN+Na"	64.015768
"1233777"	384.141768	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+ACN+Na"	64.015768
"1722662"	384.165293	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+NH4+HCOOH"	64.039293
"1184736"	129.697884666667	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+3Na"	68.967654
"1657908"	389.120688	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Na+HCOOH"	68.994688
"168051"	717.17104	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+2K-H"	76.91904
"607613"	1037.29704	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+2K-H"	76.91904
"1089938"	397.04504	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2K-H"	76.91904
"154044"	359.089158	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"2M+2K"	77.926316
"591417"	519.152158	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"3M+2K"	77.926316
"1079574"	199.026158	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2K"	77.926316
"1111326"	399.059592	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2K+H"	78.933592
"1341513"	399.147207	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+DMSO+H"	79.021207
"1012231"	403.186376	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2ACN+H"	83.060376
"1531450"	404.180008	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+IsoProp+Na+H"	84.054008
"997898"	202.096826	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+2ACN+2H"	84.067652
"1598599"	405.094628	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+K+HCOOH"	84.968628
"1418061"	435.126138	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+H+CF3COOH"	115.000138
"1151630"	222.610101	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+3ACN+2H"	125.094202
"1703371"	452.152685	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+NH4+CF3COOH"	132.026685
"1648135"	457.10808	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+Na+CF3COOH"	136.98208
"1573582"	473.08202	"C20380"	"Mycophenolate"	"C17H20O6"	"320.126"	"M+K+CF3COOH"	152.95602
"814887"	252.0382	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M"	0
"986233"	233.01981	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-H2O-H"	-19.01839
"70102"	167.018190666667	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M-3H"	-3.021828
"510754"	251.030924	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M-3H"	-3.021828
"891842"	83.0054573333333	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-3H"	-3.021828
"14802"	251.030924	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M-2H"	-2.014552
"455089"	377.050024	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M-2H"	-2.014552
"832754"	125.011824	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-2H"	-2.014552
"93251"	503.069124	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M-H"	-1.007276
"533179"	755.107324	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M-H"	-1.007276
"908427"	251.030924	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-H"	-1.007276
"62071"	520.095671	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M-2H+NH4"	16.019271
"502686"	772.133871	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M-2H+NH4"	16.019271
"879307"	268.057471	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-2H+NH4"	16.019271
"47136"	525.051066	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M-2H+Na"	20.974666
"487089"	777.089266	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M-2H+Na"	20.974666
"861777"	273.012866	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-2H+Na"	20.974666
"1625115"	273.012866	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Na-2H"	20.974666
"106016"	269.019263	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M-H+Cl"	33.962126
"547764"	395.038363	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M-H+Cl"	33.962126
"931439"	143.000163	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-H+Cl"	33.962126
"280930"	539.045802	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+Cl"	34.969402
"667886"	791.084002	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+Cl"	34.969402
"1281383"	287.007602	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Cl"	34.969402
"27590"	541.025006	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M-2H+K"	36.948606
"467876"	793.063206	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M-2H+K"	36.948606
"846409"	288.986806	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-2H+K"	36.948606
"1568804"	288.986806	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+K-2H"	36.948606
"954865"	297.036394	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-H+HCOOH"	44.998194
"371988"	549.074601	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+HCOOH-H"	44.998201
"360245"	563.090251	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+Hac-H"	59.013851
"1500330"	311.052051	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Hac-H"	59.013851
"970059"	319.018351	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-H+NaCOOH"	66.980151
"122247"	287.007602	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+2Cl"	69.938804
"564359"	413.026702	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+2Cl"	69.938804
"1034615"	160.988502	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2Cl"	69.938804
"1254560"	330.957085	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Br"	78.918885
"1317008"	333.013072	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Cl+HCOOH"	80.974872
"1331594"	354.995029	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Cl+NaCOOH"	102.956829
"923743"	365.023786	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M-H+CF3COOH"	112.985586
"1303006"	401.000464	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Cl+CF3COOH"	148.962264
"1379345"	217.025524	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H-2H2O"	-35.012676
"1391370"	235.0355	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H-H2O"	-17.0027
"294703"	505.083676	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+H"	1.007276
"680198"	757.121876	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+H"	1.007276
"1357640"	253.045476	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H"	1.007276
"136001"	253.045476	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+2H"	2.014552
"574467"	379.064576	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+2H"	2.014552
"1046546"	127.026376	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2H"	2.014552
"213720"	169.032742666667	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+3H"	3.021828
"659238"	253.045476	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+3H"	3.021828
"1172863"	85.0200093333333	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+3H"	3.021828
"438694"	522.110223	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+NH4"	18.033823
"800295"	774.148423	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+NH4"	18.033823
"1694564"	270.072023	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+NH4"	18.033823
"343205"	261.5587495	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+H+NH4"	19.041099
"737084"	387.5778495	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+H+NH4"	19.041099
"1489443"	135.5396495	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H+NH4"	19.041099
"406668"	527.065618	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+Na"	22.989218
"768030"	779.103818	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+Na"	22.989218
"1613937"	275.027418	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Na"	22.989218
"329451"	264.036447	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+H+Na"	23.996494
"716407"	390.055547	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+H+Na"	23.996494
"1465486"	138.017347	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H+Na"	23.996494
"1056907"	92.3473233333333	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2H+Na"	25.00377
"1260045"	285.071686	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+CH3OH+H"	33.033486
"382628"	543.039558	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+K"	38.963158
"749094"	795.077758	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+K"	38.963158
"1546772"	291.001358	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+K"	38.963158
"311968"	272.023417	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+H+K"	39.970434
"705488"	398.042517	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+H+K"	39.970434
"1460893"	146.004317	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H+K"	39.970434
"249981"	546.110226	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+ACN+H"	42.033826
"1224149"	294.072026	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+ACN+H"	42.033826
"1208878"	147.539651	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+ACN+2H"	43.041102
"202484"	549.04756	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+2Na-H"	44.97116
"642769"	801.08576	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+2Na-H"	44.97116
"1145429"	297.00936	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2Na-H"	44.97116
"187018"	275.027418	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+2Na"	45.978436
"626211"	401.046518	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+2Na"	45.978436
"1129720"	149.008318	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2Na"	45.978436
"1412876"	99.6746373333333	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H+2Na"	46.985712
"1443898"	299.050946	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H+HCOOH"	47.012746
"235052"	280.06044	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+3H2O+2H"	56.04448
"1523479"	313.10299	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+IsoProp+H"	61.06479
"423167"	283.014388	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+Na+K"	61.952376
"783434"	409.033488	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+Na+K"	61.952376
"1677579"	156.995288	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Na+K"	61.952376
"263002"	568.092168	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+ACN+Na"	64.015768
"1233887"	316.053968	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+ACN+Na"	64.015768
"1722772"	316.077493	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+NH4+HCOOH"	64.039293
"1188126"	107.001951333333	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+3Na"	68.967654
"1659113"	321.032888	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Na+HCOOH"	68.994688
"163788"	580.99544	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+2K-H"	76.91904
"609181"	833.03364	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+2K-H"	76.91904
"1092235"	328.95724	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2K-H"	76.91904
"154154"	291.001358	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"2M+2K"	77.926316
"591891"	417.020458	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"3M+2K"	77.926316
"1079684"	164.982258	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2K"	77.926316
"1111800"	330.971792	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2K+H"	78.933592
"1341623"	331.059407	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+DMSO+H"	79.021207
"1013434"	335.098576	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2ACN+H"	83.060376
"1531560"	336.092208	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+IsoProp+Na+H"	84.054008
"998008"	168.052926	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+2ACN+2H"	84.067652
"1599438"	337.006828	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+K+HCOOH"	84.968628
"1418171"	367.038338	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+H+CF3COOH"	115.000138
"1151740"	188.566201	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+3ACN+2H"	125.094202
"1703481"	384.064885	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+NH4+CF3COOH"	132.026685
"1647516"	389.02028	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+Na+CF3COOH"	136.98208
"1573692"	404.99422	"C20381"	"33-Bipyridine-225566-hexol"	"C10H8N2O6"	"252.0382"	"M+K+CF3COOH"	152.95602
"813905"	84.0324	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M"	0
"980877"	65.01401	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-H2O-H"	-19.01839
"70212"	55.014324	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M-3H"	-3.021828
"507585"	83.025124	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M-3H"	-3.021828
"887577"	27.003524	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-3H"	-3.021828
"15154"	83.025124	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M-2H"	-2.014552
"455079"	125.041324	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M-2H"	-2.014552
"832515"	41.008924	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-2H"	-2.014552
"92631"	167.057524	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M-H"	-1.007276
"533042"	251.089924	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M-H"	-1.007276
"909264"	83.025124	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-H"	-1.007276
"62058"	184.084071	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M-2H+NH4"	16.019271
"501619"	268.116471	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M-2H+NH4"	16.019271
"879338"	100.051671	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-2H+NH4"	16.019271
"46671"	189.039466	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M-2H+Na"	20.974666
"486639"	273.071866	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M-2H+Na"	20.974666
"860065"	105.007066	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-2H+Na"	20.974666
"1627412"	105.007066	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Na-2H"	20.974666
"106126"	101.013463	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M-H+Cl"	33.962126
"541313"	143.029663	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M-H+Cl"	33.962126
"929362"	58.997263	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-H+Cl"	33.962126
"280919"	203.034202	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+Cl"	34.969402
"664716"	287.066602	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+Cl"	34.969402
"1281493"	119.001802	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Cl"	34.969402
"29519"	205.013406	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M-2H+K"	36.948606
"467986"	289.045806	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M-2H+K"	36.948606
"843601"	120.981006	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-2H+K"	36.948606
"1570859"	120.981006	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+K-2H"	36.948606
"956068"	129.030594	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-H+HCOOH"	44.998194
"375865"	213.063001	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+HCOOH-H"	44.998201
"361277"	227.078651	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+Hac-H"	59.013851
"1503720"	143.046251	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Hac-H"	59.013851
"970169"	151.012551	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-H+NaCOOH"	66.980151
"122357"	119.001802	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+2Cl"	69.938804
"563010"	161.018002	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+2Cl"	69.938804
"1033996"	76.985602	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2Cl"	69.938804
"1253576"	162.951285	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Br"	78.918885
"1317118"	165.007272	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Cl+HCOOH"	80.974872
"1334863"	186.989229	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Cl+NaCOOH"	102.956829
"924216"	197.017986	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M-H+CF3COOH"	112.985586
"1303522"	232.994664	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Cl+CF3COOH"	148.962264
"1381643"	49.019724	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H-2H2O"	-35.012676
"1391480"	67.0297	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H-H2O"	-17.0027
"295177"	169.072076	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+H"	1.007276
"680308"	253.104476	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+H"	1.007276
"1354834"	85.039676	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H"	1.007276
"135747"	85.039676	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+2H"	2.014552
"572389"	127.055876	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+2H"	2.014552
"1043376"	43.023476	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2H"	2.014552
"213464"	57.028876	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+3H"	3.021828
"657767"	85.039676	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+3H"	3.021828
"1172972"	29.018076	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+3H"	3.021828
"436611"	186.098623	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+NH4"	18.033823
"797608"	270.131023	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+NH4"	18.033823
"1694674"	102.066223	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+NH4"	18.033823
"343682"	93.5529495	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+H+NH4"	19.041099
"737195"	135.5691495	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+H+NH4"	19.041099
"1491377"	51.5367495	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H+NH4"	19.041099
"406414"	191.054018	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+Na"	22.989218
"768020"	275.086418	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+Na"	22.989218
"1613319"	107.021618	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Na"	22.989218
"328105"	96.030647	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+H+Na"	23.996494
"714694"	138.046847	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+H+Na"	23.996494
"1464867"	54.014447	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H+Na"	23.996494
"1055195"	36.34539	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2H+Na"	25.00377
"1259062"	117.065886	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+CH3OH+H"	33.033486
"381645"	207.027958	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+K"	38.963158
"747747"	291.060358	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+K"	38.963158
"1547612"	122.995558	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+K"	38.963158
"314207"	104.017617	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+H+K"	39.970434
"706328"	146.033817	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+H+K"	39.970434
"1457963"	62.001417	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H+K"	39.970434
"249845"	210.098626	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+ACN+H"	42.033826
"1222551"	126.066226	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+ACN+H"	42.033826
"1207530"	63.536751	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+ACN+2H"	43.041102
"202590"	213.03596	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+2Na-H"	44.97116
"642155"	297.06836	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+2Na-H"	44.97116
"1145535"	129.00356	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2Na-H"	44.97116
"186758"	107.021618	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+2Na"	45.978436
"626322"	149.037818	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+2Na"	45.978436
"1126179"	65.005418	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2Na"	45.978436
"1409703"	43.672704	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H+2Na"	46.985712
"1442183"	131.045146	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H+HCOOH"	47.012746
"233336"	112.05464	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+3H2O+2H"	56.04448
"1521764"	145.09719	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+IsoProp+H"	61.06479
"421450"	115.008588	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+Na+K"	61.952376
"780984"	157.024788	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+Na+K"	61.952376
"1677318"	72.992388	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Na+K"	61.952376
"263840"	232.080568	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+ACN+Na"	64.015768
"1239464"	148.048168	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+ACN+Na"	64.015768
"1722882"	148.071693	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+NH4+HCOOH"	64.039293
"1186050"	51.000018	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+3Na"	68.967654
"1659225"	153.027088	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Na+HCOOH"	68.994688
"168273"	244.98384	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+2K-H"	76.91904
"607833"	329.01624	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+2K-H"	76.91904
"1095625"	160.95144	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2K-H"	76.91904
"153535"	122.995558	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"2M+2K"	77.926316
"592001"	165.011758	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"3M+2K"	77.926316
"1080887"	80.979358	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2K"	77.926316
"1111910"	162.965992	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2K+H"	78.933592
"1341733"	163.053607	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+DMSO+H"	79.021207
"1016824"	167.092776	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2ACN+H"	83.060376
"1533857"	168.086408	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+IsoProp+Na+H"	84.054008
"998118"	84.050026	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+2ACN+2H"	84.067652
"1599183"	169.001028	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+K+HCOOH"	84.968628
"1418281"	199.032538	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+H+CF3COOH"	115.000138
"1151850"	104.563301	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+3ACN+2H"	125.094202
"1703591"	216.059085	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+NH4+CF3COOH"	132.026685
"1648355"	221.01448	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+Na+CF3COOH"	136.98208
"1573802"	236.98842	"C20382"	"Imidazol-2-one;13-Dihydroimidazol-2-one;4-Imidazolin-2-one"	"C3H4N2O"	"84.0324"	"M+K+CF3COOH"	152.95602
"815837"	496.1581	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M"	0
"980987"	477.13971	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-H2O-H"	-19.01839
"73602"	329.764790666667	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M-3H"	-3.021828
"507695"	495.150824	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M-3H"	-3.021828
"887687"	164.378757333333	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-3H"	-3.021828
"15017"	495.150824	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M-2H"	-2.014552
"454578"	743.229874	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M-2H"	-2.014552
"831773"	247.071774	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-2H"	-2.014552
"92496"	991.308924	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M-H"	-1.007276
"530842"	1487.467024	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M-H"	-1.007276
"906093"	495.150824	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-H"	-1.007276
"58281"	1008.335471	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M-2H+NH4"	16.019271
"501117"	1504.493571	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M-2H+NH4"	16.019271
"876005"	512.177371	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-2H+NH4"	16.019271
"42810"	1013.290866	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M-2H+Na"	20.974666
"483463"	1509.448966	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M-2H+Na"	20.974666
"852521"	517.132766	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-2H+Na"	20.974666
"1626426"	517.132766	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Na-2H"	20.974666
"99675"	513.139163	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M-H+Cl"	33.962126
"538142"	761.218213	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M-H+Cl"	33.962126
"927276"	265.060113	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-H+Cl"	33.962126
"267532"	1027.285602	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+Cl"	34.969402
"662272"	1523.443702	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+Cl"	34.969402
"1273092"	531.127502	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Cl"	34.969402
"16746"	1029.264806	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M-2H+K"	36.948606
"458251"	1525.422906	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M-2H+K"	36.948606
"843711"	533.106706	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-2H+K"	36.948606
"1570483"	533.106706	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+K-2H"	36.948606
"957271"	541.156294	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-H+HCOOH"	44.998194
"374395"	1037.314401	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+HCOOH-H"	44.998201
"359372"	1051.330051	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+Hac-H"	59.013851
"1499457"	555.171951	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Hac-H"	59.013851
"964812"	563.138251	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-H+NaCOOH"	66.980151
"119187"	531.127502	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+2Cl"	69.938804
"556560"	779.206552	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+2Cl"	69.938804
"1031919"	283.048452	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2Cl"	69.938804
"1246031"	575.076985	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Br"	78.918885
"1315042"	577.132972	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Cl+HCOOH"	80.974872
"1333878"	599.114929	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Cl+NaCOOH"	102.956829
"923962"	609.143686	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M-H+CF3COOH"	112.985586
"1303224"	645.120364	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Cl+CF3COOH"	148.962264
"1381873"	461.145424	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H-2H2O"	-35.012676
"1391590"	479.1554	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H-H2O"	-17.0027
"294923"	993.323476	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+H"	1.007276
"680418"	1489.481576	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+H"	1.007276
"1354580"	497.165376	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H"	1.007276
"130751"	497.165376	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+2H"	2.014552
"571404"	745.244426	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+2H"	2.014552
"1039232"	249.086326	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2H"	2.014552
"213574"	331.779342666667	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+3H"	3.021828
"657512"	497.165376	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+3H"	3.021828
"1172353"	166.393309333333	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+3H"	3.021828
"437085"	1010.350023	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+NH4"	18.033823
"797718"	1506.508123	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+NH4"	18.033823
"1695513"	514.191923	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+NH4"	18.033823
"344157"	505.6786495	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+H+NH4"	19.041099
"737304"	753.7576995	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+H+NH4"	19.041099
"1490394"	257.5995995	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H+NH4"	19.041099
"407860"	1015.305418	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+Na"	22.989218
"768130"	1511.463518	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+Na"	22.989218
"1613793"	519.147318	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Na"	22.989218
"326758"	508.156347	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+H+Na"	23.996494
"714439"	756.235397	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+H+Na"	23.996494
"1464613"	260.077297	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H+Na"	23.996494
"1054941"	173.720623333333	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2H+Na"	25.00377
"1259901"	529.191586	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+CH3OH+H"	33.033486
"381755"	1031.279358	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+K"	38.963158
"747127"	1527.437458	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+K"	38.963158
"1547722"	535.121258	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+K"	38.963158
"312557"	516.143317	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+H+K"	39.970434
"705586"	764.222367	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+H+K"	39.970434
"1453700"	268.064267	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H+K"	39.970434
"246675"	1034.350026	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+ACN+H"	42.033826
"1220475"	538.191926	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+ACN+H"	42.033826
"1203264"	269.599601	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+ACN+2H"	43.041102
"200146"	1037.28736	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+2Na-H"	44.97116
"638617"	1533.44546	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+2Na-H"	44.97116
"1141390"	541.12926	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2Na-H"	44.97116
"183587"	519.147318	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+2Na"	45.978436
"624609"	767.226368	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+2Na"	45.978436
"1127017"	271.068268	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2Na"	45.978436
"1408354"	181.047937333333	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H+2Na"	46.985712
"1441198"	543.170846	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H+HCOOH"	47.012746
"232717"	524.18034	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+3H2O+2H"	56.04448
"1521143"	557.22289	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+IsoProp+H"	61.06479
"421192"	527.134288	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+Na+K"	61.952376
"780729"	775.213338	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+Na+K"	61.952376
"1676698"	279.055238	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Na+K"	61.952376
"259209"	1056.331968	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+ACN+Na"	64.015768
"1231917"	560.173868	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+ACN+Na"	64.015768
"1714606"	560.197393	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+NH4+HCOOH"	64.039293
"1182878"	188.375251333333	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+3Na"	68.967654
"1657145"	565.152788	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Na+HCOOH"	68.994688
"162913"	1069.23524	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+2K-H"	76.91904
"606848"	1565.39334	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+2K-H"	76.91904
"1089172"	573.07714	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2K-H"	76.91904
"150363"	535.121258	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"2M+2K"	77.926316
"582389"	783.200308	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"3M+2K"	77.926316
"1074436"	287.042208	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2K"	77.926316
"1103272"	575.091692	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2K+H"	78.933592
"1336129"	575.179307	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+DMSO+H"	79.021207
"1016934"	579.218476	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2ACN+H"	83.060376
"1532874"	580.212108	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+IsoProp+Na+H"	84.054008
"998228"	290.112876	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+2ACN+2H"	84.067652
"1598199"	581.126728	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+K+HCOOH"	84.968628
"1418391"	611.158238	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+H+CF3COOH"	115.000138
"1150866"	310.626151	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+3ACN+2H"	125.094202
"1697260"	628.184785	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+NH4+CF3COOH"	132.026685
"1639352"	633.14018	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+Na+CF3COOH"	136.98208
"1573912"	649.11412	"C20383"	"Mycophenolic acid O-acyl-glucuronide"	"C23H28O12"	"496.1581"	"M+K+CF3COOH"	152.95602
"816070"	216.0569	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M"	0
"981097"	197.03851	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-H2O-H"	-19.01839
"73712"	143.030657333333	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M-3H"	-3.021828
"507805"	215.049624	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M-3H"	-3.021828
"893265"	71.0116906666667	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-3H"	-3.021828
"15370"	215.049624	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M-2H"	-2.014552
"455172"	323.078074	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M-2H"	-2.014552
"832126"	107.021174	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-2H"	-2.014552
"93091"	431.106524	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M-H"	-1.007276
"532047"	647.163424	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M-H"	-1.007276
"905475"	215.049624	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-H"	-1.007276
"59484"	448.133071	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M-2H+NH4"	16.019271
"498313"	664.189971	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M-2H+NH4"	16.019271
"876113"	232.076171	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-2H+NH4"	16.019271
"45715"	453.088466	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M-2H+Na"	20.974666
"477017"	669.145366	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M-2H+Na"	20.974666
"858098"	237.031566	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-2H+Na"	20.974666
"1626536"	237.031566	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Na-2H"	20.974666
"99786"	233.037963	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M-H+Cl"	33.962126
"536430"	341.066413	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M-H+Cl"	33.962126
"928114"	125.009513	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-H+Cl"	33.962126
"268494"	467.083202	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+Cl"	34.969402
"662382"	683.140102	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+Cl"	34.969402
"1273931"	251.026302	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Cl"	34.969402
"19895"	469.062406	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M-2H+K"	36.948606
"456172"	685.119306	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M-2H+K"	36.948606
"846008"	253.005506	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-2H+K"	36.948606
"1570471"	253.005506	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+K-2H"	36.948606
"957382"	261.055094	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-H+HCOOH"	44.998194
"371225"	477.112001	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+HCOOH-H"	44.998201
"357296"	491.127651	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+Hac-H"	59.013851
"1499566"	275.070751	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Hac-H"	59.013851
"968201"	283.037051	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-H+NaCOOH"	66.980151
"116017"	251.026302	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+2Cl"	69.938804
"556670"	359.054752	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+2Cl"	69.938804
"1030936"	142.997852	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2Cl"	69.938804
"1246505"	294.975785	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Br"	78.918885
"1310047"	297.031772	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Cl+HCOOH"	80.974872
"1327181"	319.013729	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Cl+NaCOOH"	102.956829
"924801"	329.042486	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M-H+CF3COOH"	112.985586
"1303983"	365.019164	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Cl+CF3COOH"	148.962264
"1382550"	181.044224	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H-2H2O"	-35.012676
"1398264"	199.0542	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H-H2O"	-17.0027
"296856"	433.121076	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+H"	1.007276
"683809"	649.177976	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+H"	1.007276
"1357971"	217.064176	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H"	1.007276
"131954"	217.064176	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+2H"	2.014552
"571514"	325.092626	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+2H"	2.014552
"1040314"	109.035726	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2H"	2.014552
"211498"	145.045209333333	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+3H"	3.021828
"658351"	217.064176	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+3H"	3.021828
"1172463"	73.0262426666667	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+3H"	3.021828
"436831"	450.147623	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+NH4"	18.033823
"797463"	666.204523	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+NH4"	18.033823
"1695623"	234.090723	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+NH4"	18.033823
"343531"	225.5774495	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+H+NH4"	19.041099
"733765"	333.6058995	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+H+NH4"	19.041099
"1490866"	117.5489995	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H+NH4"	19.041099
"405171"	455.103018	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+Na"	22.989218
"761794"	671.159918	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+Na"	22.989218
"1615360"	239.046118	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Na"	22.989218
"326869"	228.055147	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+H+Na"	23.996494
"715642"	336.083597	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+H+Na"	23.996494
"1466909"	120.026697	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H+Na"	23.996494
"1056144"	80.3535566666667	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2H+Na"	25.00377
"1263291"	249.090386	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+CH3OH+H"	33.033486
"388427"	471.076958	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+K"	38.963158
"746144"	687.133858	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+K"	38.963158
"1552207"	255.020058	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+K"	38.963158
"312299"	236.042117	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+H+K"	39.970434
"704357"	344.070567	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+H+K"	39.970434
"1455996"	128.013667	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H+K"	39.970434
"248242"	474.147626	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+ACN+H"	42.033826
"1220586"	258.090726	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+ACN+H"	42.033826
"1206656"	129.549001	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+ACN+2H"	43.041102
"200624"	477.08496	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+2Na-H"	44.97116
"639819"	693.14186	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+2Na-H"	44.97116
"1142960"	261.02806	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2Na-H"	44.97116
"184430"	239.046118	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+2Na"	45.978436
"625083"	347.074568	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+2Na"	45.978436
"1127129"	131.017668	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2Na"	45.978436
"1410288"	87.6808706666667	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H+2Na"	46.985712
"1440215"	263.069646	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H+HCOOH"	47.012746
"233557"	244.07914	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+3H2O+2H"	56.04448
"1522347"	277.12169	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+IsoProp+H"	61.06479
"421668"	247.033088	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+Na+K"	61.952376
"783635"	355.061538	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+Na+K"	61.952376
"1677901"	139.004638	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Na+K"	61.952376
"259320"	496.129568	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+ACN+Na"	64.015768
"1235308"	280.072668	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+ACN+Na"	64.015768
"1720916"	280.096193	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+NH4+HCOOH"	64.039293
"1187363"	95.0081846666667	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+3Na"	68.967654
"1656162"	285.051588	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Na+HCOOH"	68.994688
"163024"	509.03284	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+2K-H"	76.91904
"604772"	725.08974	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+2K-H"	76.91904
"1089283"	292.97594	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2K-H"	76.91904
"147193"	255.020058	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"2M+2K"	77.926316
"582743"	363.048508	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"3M+2K"	77.926316
"1074547"	146.991608	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2K"	77.926316
"1104476"	294.990492	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2K+H"	78.933592
"1348516"	295.078107	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+DMSO+H"	79.021207
"1013765"	299.117276	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2ACN+H"	83.060376
"1530796"	300.110908	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+IsoProp+Na+H"	84.054008
"996152"	150.062276	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+2ACN+2H"	84.067652
"1589924"	301.025528	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+K+HCOOH"	84.968628
"1418502"	331.057038	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+H+CF3COOH"	115.000138
"1156446"	170.575551	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+3ACN+2H"	125.094202
"1711465"	348.083585	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+NH4+CF3COOH"	132.026685
"1639462"	353.03898	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+Na+CF3COOH"	136.98208
"1574022"	369.01292	"C20384"	"Bisnorbiotin"	"C8H12N2O3S"	"216.0569"	"M+K+CF3COOH"	152.95602
"816058"	188.0256	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M"	0
"981207"	169.00721	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-H2O-H"	-19.01839
"70542"	124.343124	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M-3H"	-3.021828
"514476"	187.018324	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M-3H"	-3.021828
"886811"	61.667924	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-3H"	-3.021828
"14872"	187.018324	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M-2H"	-2.014552
"453581"	281.031124	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M-2H"	-2.014552
"831876"	93.005524	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-2H"	-2.014552
"89683"	375.043924	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M-H"	-1.007276
"530338"	563.069524	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M-H"	-1.007276
"909594"	187.018324	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-H"	-1.007276
"60686"	392.070471	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M-2H+NH4"	16.019271
"499516"	580.096071	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M-2H+NH4"	16.019271
"876224"	204.044871	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-2H+NH4"	16.019271
"45218"	397.025866	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M-2H+Na"	20.974666
"477126"	585.051466	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M-2H+Na"	20.974666
"856022"	209.000266	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-2H+Na"	20.974666
"1625553"	209.000266	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Na-2H"	20.974666
"100988"	205.006663	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M-H+Cl"	33.962126
"537997"	299.019463	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M-H+Cl"	33.962126
"928594"	110.993863	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-H+Cl"	33.962126
"269454"	411.020602	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+Cl"	34.969402
"663220"	599.046202	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+Cl"	34.969402
"1275259"	222.995002	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Cl"	34.969402
"17818"	412.999806	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M-2H+K"	36.948606
"459566"	601.025406	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M-2H+K"	36.948606
"839557"	224.974206	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-2H+K"	36.948606
"1571123"	224.974206	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+K-2H"	36.948606
"957620"	233.023794	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-H+HCOOH"	44.998194
"375955"	421.049401	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+HCOOH-H"	44.998201
"360324"	435.065051	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+Hac-H"	59.013851
"1504051"	247.039451	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Hac-H"	59.013851
"969405"	255.005751	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-H+NaCOOH"	66.980151
"116127"	222.995002	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+2Cl"	69.938804
"563340"	317.007802	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+2Cl"	69.938804
"1033235"	128.982202	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2Cl"	69.938804
"1253908"	266.944485	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Br"	78.918885
"1318180"	269.000472	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Cl+HCOOH"	80.974872
"1333489"	290.982429	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Cl+NaCOOH"	102.956829
"924911"	301.011186	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M-H+CF3COOH"	112.985586
"1303080"	336.987864	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Cl+CF3COOH"	148.962264
"1379784"	153.012924	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H-2H2O"	-35.012676
"1388532"	171.0229	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H-H2O"	-17.0027
"294780"	377.058476	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+H"	1.007276
"680640"	565.084076	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+H"	1.007276
"1358081"	189.032876	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H"	1.007276
"132064"	189.032876	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+2H"	2.014552
"570531"	283.045676	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+2H"	2.014552
"1042613"	95.020076	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2H"	2.014552
"211608"	126.357676	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+3H"	3.021828
"657003"	189.032876	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+3H"	3.021828
"1173668"	63.682476	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+3H"	3.021828
"436940"	394.085023	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+NH4"	18.033823
"795747"	582.110623	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+NH4"	18.033823
"1690986"	206.059423	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+NH4"	18.033823
"339265"	197.5461495	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+H+NH4"	19.041099
"732779"	291.5589495	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+H+NH4"	19.041099
"1489882"	103.5333495	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H+NH4"	19.041099
"406374"	399.040418	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+Na"	22.989218
"760810"	587.066018	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+Na"	22.989218
"1617539"	211.014818	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Na"	22.989218
"328800"	200.023847	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+H+Na"	23.996494
"714658"	294.036647	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+H+Na"	23.996494
"1466291"	106.011047	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H+Na"	23.996494
"1060630"	71.00979	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2H+Na"	25.00377
"1263401"	221.059086	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+CH3OH+H"	33.033486
"387444"	415.014358	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+K"	38.963158
"750628"	603.039958	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+K"	38.963158
"1553778"	226.988758	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+K"	38.963158
"313139"	208.010817	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+H+K"	39.970434
"706858"	302.023617	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+H+K"	39.970434
"1457929"	113.998017	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H+K"	39.970434
"247987"	418.085026	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+ACN+H"	42.033826
"1222880"	230.059426	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+ACN+H"	42.033826
"1206041"	115.533351	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+ACN+2H"	43.041102
"200734"	421.02236	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+2Na-H"	44.97116
"639201"	609.04796	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+2Na-H"	44.97116
"1144167"	232.99676	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2Na-H"	44.97116
"184902"	211.014818	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+2Na"	45.978436
"625192"	305.027618	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+2Na"	45.978436
"1126510"	117.002018	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2Na"	45.978436
"1410397"	78.337104	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H+2Na"	46.985712
"1444334"	235.038346	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H+HCOOH"	47.012746
"234396"	216.04784	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+3H2O+2H"	56.04448
"1523792"	249.09039	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+IsoProp+H"	61.06479
"422876"	219.001788	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+Na+K"	61.952376
"784721"	313.014588	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+Na+K"	61.952376
"1679104"	124.988988	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Na+K"	61.952376
"264900"	440.066968	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+ACN+Na"	64.015768
"1236513"	252.041368	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+ACN+Na"	64.015768
"1716650"	252.064893	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+NH4+HCOOH"	64.039293
"1182004"	85.664418	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+3Na"	68.967654
"1655177"	257.020288	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Na+HCOOH"	68.994688
"160943"	452.97024	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+2K-H"	76.91904
"601597"	640.99584	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+2K-H"	76.91904
"1085376"	264.94464	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2K-H"	76.91904
"142190"	226.988758	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"2M+2K"	77.926316
"583337"	321.001558	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"3M+2K"	77.926316
"1073563"	132.975958	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2K"	77.926316
"1101424"	266.959192	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2K+H"	78.933592
"1337690"	267.046807	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+DMSO+H"	79.021207
"1012051"	271.085976	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2ACN+H"	83.060376
"1533092"	272.079608	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+IsoProp+Na+H"	84.054008
"995166"	136.046626	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+2ACN+2H"	84.067652
"1588938"	272.994228	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+K+HCOOH"	84.968628
"1418611"	303.025738	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+H+CF3COOH"	115.000138
"1154367"	156.559901	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+3ACN+2H"	125.094202
"1701733"	320.052285	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+NH4+CF3COOH"	132.026685
"1634508"	325.00768	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+Na+CF3COOH"	136.98208
"1574132"	340.98162	"C20385"	"Tetranorbiotin"	"C6H8N2O3S"	"188.0256"	"M+K+CF3COOH"	152.95602
"817035"	260.0831	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M"	0
"981317"	241.06471	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-H2O-H"	-19.01839
"73933"	172.381457333333	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M-3H"	-3.021828
"511307"	259.075824	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M-3H"	-3.021828
"888016"	85.6870906666667	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-3H"	-3.021828
"13896"	259.075824	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M-2H"	-2.014552
"453339"	389.117374	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M-2H"	-2.014552
"829439"	129.034274	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-2H"	-2.014552
"90159"	519.158924	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M-H"	-1.007276
"530085"	779.242024	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M-H"	-1.007276
"907887"	259.075824	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-H"	-1.007276
"60801"	536.185471	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M-2H+NH4"	16.019271
"500361"	796.268571	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M-2H+NH4"	16.019271
"878162"	276.102371	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-2H+NH4"	16.019271
"44239"	541.140866	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M-2H+Na"	20.974666
"482705"	801.223966	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M-2H+Na"	20.974666
"856133"	281.057766	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-2H+Na"	20.974666
"1627853"	281.057766	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Na-2H"	20.974666
"105474"	277.064163	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M-H+Cl"	33.962126
"543940"	407.105713	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M-H+Cl"	33.962126
"934177"	147.022613	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-H+Cl"	33.962126
"282539"	555.135602	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+Cl"	34.969402
"668436"	815.218702	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+Cl"	34.969402
"1286308"	295.052502	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Cl"	34.969402
"27773"	557.114806	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M-2H+K"	36.948606
"468427"	817.197906	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M-2H+K"	36.948606
"846229"	297.031706	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-2H+K"	36.948606
"1571212"	297.031706	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+K-2H"	36.948606
"958217"	305.081294	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-H+HCOOH"	44.998194
"372180"	565.164401	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+HCOOH-H"	44.998201
"360072"	579.180051	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+Hac-H"	59.013851
"1507077"	319.096951	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Hac-H"	59.013851
"973485"	327.063251	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-H+NaCOOH"	66.980151
"121345"	295.052502	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+2Cl"	69.938804
"564184"	425.094052	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+2Cl"	69.938804
"1034079"	165.010952	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2Cl"	69.938804
"1252201"	339.001985	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Br"	78.918885
"1316838"	341.057972	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Cl+HCOOH"	80.974872
"1334333"	363.039929	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Cl+NaCOOH"	102.956829
"918830"	373.068686	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M-H+CF3COOH"	112.985586
"1300641"	409.045364	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Cl+CF3COOH"	148.962264
"1379897"	225.070424	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H-2H2O"	-35.012676
"1397761"	243.0804	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H-H2O"	-17.0027
"297448"	521.173476	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+H"	1.007276
"690231"	781.256576	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+H"	1.007276
"1364759"	261.090376	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H"	1.007276
"138744"	261.090376	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+2H"	2.014552
"575020"	391.131926	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+2H"	2.014552
"1049286"	131.048826	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2H"	2.014552
"214999"	174.396009333333	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+3H"	3.021828
"653466"	261.090376	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+3H"	3.021828
"1172685"	87.7016426666667	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+3H"	3.021828
"437054"	538.200023	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+NH4"	18.033823
"792581"	798.283123	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+NH4"	18.033823
"1694016"	278.116923	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+NH4"	18.033823
"342294"	269.6036495	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+H+NH4"	19.041099
"738325"	399.6451995	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+H+NH4"	19.041099
"1491820"	139.5620995	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H+NH4"	19.041099
"403208"	543.155418	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+Na"	22.989218
"760921"	803.238518	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+Na"	22.989218
"1618338"	283.072318	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Na"	22.989218
"327454"	272.081347	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+H+Na"	23.996494
"718050"	402.122897	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+H+Na"	23.996494
"1468589"	142.039797	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H+Na"	23.996494
"1062928"	95.0289566666667	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2H+Na"	25.00377
"1270072"	293.116586	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+CH3OH+H"	33.033486
"390472"	559.129358	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+K"	38.963158
"749645"	819.212458	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+K"	38.963158
"1555104"	299.046258	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+K"	38.963158
"313856"	280.068317	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+H+K"	39.970434
"707028"	410.109867	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+H+K"	39.970434
"1458403"	150.026767	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H+K"	39.970434
"248097"	562.200026	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+ACN+H"	42.033826
"1224085"	302.116926	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+ACN+H"	42.033826
"1203599"	151.562101	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+ACN+2H"	43.041102
"200843"	565.13736	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+2Na-H"	44.97116
"642955"	825.22046	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+2Na-H"	44.97116
"1145735"	305.05426	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2Na-H"	44.97116
"187569"	283.072318	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+2Na"	45.978436
"627619"	413.113868	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+2Na"	45.978436
"1130151"	153.030768	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2Na"	45.978436
"1412331"	102.356270666667	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H+2Na"	46.985712
"1444086"	307.095846	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H+HCOOH"	47.012746
"234143"	288.10534	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+3H2O+2H"	56.04448
"1523301"	321.14789	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+IsoProp+H"	61.06479
"424121"	291.059288	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+Na+K"	61.952376
"785441"	421.100838	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+Na+K"	61.952376
"1680678"	161.017738	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Na+K"	61.952376
"260635"	584.181968	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+ACN+Na"	64.015768
"1235530"	324.098868	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+ACN+Na"	64.015768
"1718948"	324.122393	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+NH4+HCOOH"	64.039293
"1183209"	109.683584666667	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+3Na"	68.967654
"1655285"	329.077788	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Na+HCOOH"	68.994688
"163240"	597.08524	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+2K-H"	76.91904
"603895"	857.16834	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+2K-H"	76.91904
"1089501"	337.00214	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2K-H"	76.91904
"147413"	299.046258	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"2M+2K"	77.926316
"585151"	429.087808	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"3M+2K"	77.926316
"1076955"	169.004708	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2K"	77.926316
"1107977"	339.016692	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2K+H"	78.933592
"1344362"	339.104307	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+DMSO+H"	79.021207
"1010341"	343.143476	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2ACN+H"	83.060376
"1529925"	344.137108	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+IsoProp+Na+H"	84.054008
"997466"	172.075376	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+2ACN+2H"	84.067652
"1595250"	345.051728	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+K+HCOOH"	84.968628
"1417629"	375.083238	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+H+CF3COOH"	115.000138
"1157759"	192.588651	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+3ACN+2H"	125.094202
"1708405"	392.109785	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+NH4+CF3COOH"	132.026685
"1639682"	397.06518	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+Na+CF3COOH"	136.98208
"1574242"	413.03912	"C20386"	"Biotin sulfoxide"	"C10H16N2O4S"	"260.0831"	"M+K+CF3COOH"	152.95602
"813356"	276.078	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M"	0
"979240"	257.05961	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-H2O-H"	-19.01839
"63228"	183.044724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M-3H"	-3.021828
"509229"	275.070724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M-3H"	-3.021828
"885939"	91.018724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-3H"	-3.021828
"12905"	275.070724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M-2H"	-2.014552
"455383"	413.109724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M-2H"	-2.014552
"831857"	137.031724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-2H"	-2.014552
"92459"	551.148724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M-H"	-1.007276
"531289"	827.226724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M-H"	-1.007276
"908727"	275.070724	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-H"	-1.007276
"60181"	568.175271	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M-2H+NH4"	16.019271
"501080"	844.253271	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M-2H+NH4"	16.019271
"879205"	292.097271	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-2H+NH4"	16.019271
"44350"	573.130666	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M-2H+Na"	20.974666
"479534"	849.208666	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M-2H+Na"	20.974666
"856243"	297.052666	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-2H+Na"	20.974666
"1625776"	297.052666	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Na-2H"	20.974666
"105584"	293.059063	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M-H+Cl"	33.962126
"544050"	431.098063	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M-H+Cl"	33.962126
"934287"	155.020063	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-H+Cl"	33.962126
"278311"	587.125402	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+Cl"	34.969402
"668546"	863.203402	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+Cl"	34.969402
"1286418"	311.047402	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Cl"	34.969402
"26790"	589.104606	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M-2H+K"	36.948606
"468903"	865.182606	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M-2H+K"	36.948606
"847068"	313.026606	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-2H+K"	36.948606
"1570077"	313.026606	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+K-2H"	36.948606
"958167"	321.076194	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-H+HCOOH"	44.998194
"371197"	597.154201	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+HCOOH-H"	44.998201
"359818"	611.169851	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+Hac-H"	59.013851
"1507309"	335.091851	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Hac-H"	59.013851
"973758"	343.058151	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-H+NaCOOH"	66.980151
"123641"	311.047402	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+2Cl"	69.938804
"564293"	449.086402	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+2Cl"	69.938804
"1033825"	173.008402	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2Cl"	69.938804
"1255226"	354.996885	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Br"	78.918885
"1315491"	357.052872	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Cl+HCOOH"	80.974872
"1335458"	379.034829	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Cl+NaCOOH"	102.956829
"924412"	389.063586	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M-H+CF3COOH"	112.985586
"1302213"	425.040264	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Cl+CF3COOH"	148.962264
"1382523"	241.065324	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H-2H2O"	-35.012676
"1396414"	259.0753	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H-H2O"	-17.0027
"298287"	553.163276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+H"	1.007276
"688519"	829.241276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+H"	1.007276
"1365962"	277.085276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H"	1.007276
"139949"	277.085276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+2H"	2.014552
"580242"	415.124276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+2H"	2.014552
"1051586"	139.046276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2H"	2.014552
"216935"	185.059276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+3H"	3.021828
"657223"	277.085276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+3H"	3.021828
"1172068"	93.033276	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+3H"	3.021828
"437528"	570.189823	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+NH4"	18.033823
"798524"	846.267823	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+NH4"	18.033823
"1694859"	294.111823	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+NH4"	18.033823
"342768"	285.5985495	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+H+NH4"	19.041099
"737376"	423.6375495	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+H+NH4"	19.041099
"1491081"	147.5595495	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H+NH4"	19.041099
"406234"	575.145218	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+Na"	22.989218
"768321"	851.223218	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+Na"	22.989218
"1614601"	299.067218	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Na"	22.989218
"325732"	288.076247	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+H+Na"	23.996494
"722335"	426.115247	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+H+Na"	23.996494
"1475990"	150.037247	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H+Na"	23.996494
"1065228"	100.36059	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2H+Na"	25.00377
"1270916"	309.111486	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+CH3OH+H"	33.033486
"392369"	591.119158	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+K"	38.963158
"751946"	867.197158	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+K"	38.963158
"1552906"	315.041158	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+K"	38.963158
"313242"	296.063217	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+H+K"	39.970434
"706151"	434.102217	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+H+K"	39.970434
"1458152"	158.024217	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H+K"	39.970434
"247846"	594.189826	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+ACN+H"	42.033826
"1222017"	318.111826	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+ACN+H"	42.033826
"1204805"	159.559551	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+ACN+2H"	43.041102
"203143"	597.12716	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+2Na-H"	44.97116
"643073"	873.20516	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+2Na-H"	44.97116
"1145609"	321.04916	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2Na-H"	44.97116
"187441"	299.067218	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+2Na"	45.978436
"628218"	437.106218	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+2Na"	45.978436
"1130833"	161.028218	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2Na"	45.978436
"1413949"	107.687904	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H+2Na"	46.985712
"1443828"	323.090746	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H+HCOOH"	47.012746
"234616"	304.10024	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+3H2O+2H"	56.04448
"1524131"	337.14279	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+IsoProp+H"	61.06479
"424218"	307.054188	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+Na+K"	61.952376
"785147"	445.093188	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+Na+K"	61.952376
"1680991"	169.015188	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Na+K"	61.952376
"261839"	616.171768	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+ACN+Na"	64.015768
"1240379"	340.093768	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+ACN+Na"	64.015768
"1722341"	340.117293	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+NH4+HCOOH"	64.039293
"1188790"	115.015218	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+3Na"	68.967654
"1658680"	345.072688	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Na+HCOOH"	68.994688
"162261"	629.07504	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+2K-H"	76.91904
"606198"	905.15304	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+2K-H"	76.91904
"1090710"	352.99704	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2K-H"	76.91904
"146430"	315.041158	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"2M+2K"	77.926316
"584168"	453.080158	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"3M+2K"	77.926316
"1073786"	177.002158	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2K"	77.926316
"1105901"	355.011592	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2K+H"	78.933592
"1342286"	355.099207	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+DMSO+H"	79.021207
"1010815"	359.138376	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2ACN+H"	83.060376
"1532222"	360.132008	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+IsoProp+Na+H"	84.054008
"997576"	180.072826	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+2ACN+2H"	84.067652
"1595360"	361.046628	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+K+HCOOH"	84.968628
"1417739"	391.078138	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+H+CF3COOH"	115.000138
"1157869"	200.586101	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+3ACN+2H"	125.094202
"1708516"	408.104685	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+NH4+CF3COOH"	132.026685
"1640885"	413.06008	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+Na+CF3COOH"	136.98208
"1574352"	429.03402	"C20387"	"Biotin sulfone"	"C10H16N2O5S"	"276.078"	"M+K+CF3COOH"	152.95602
"813466"	280.2038	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M"	0
"978257"	261.18541	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-H2O-H"	-19.01839
"66498"	185.795257333333	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M-3H"	-3.021828
"509339"	279.196524	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M-3H"	-3.021828
"883859"	92.3939906666667	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-3H"	-3.021828
"12285"	279.196524	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M-2H"	-2.014552
"454278"	419.298424	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M-2H"	-2.014552
"830257"	139.094624	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-2H"	-2.014552
"92564"	559.400324	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M-H"	-1.007276
"532969"	839.604124	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M-H"	-1.007276
"909567"	279.196524	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-H"	-1.007276
"61387"	576.426871	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M-2H+NH4"	16.019271
"502279"	856.630671	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M-2H+NH4"	16.019271
"878265"	296.223071	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-2H+NH4"	16.019271
"45556"	581.382266	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M-2H+Na"	20.974666
"482925"	861.586066	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M-2H+Na"	20.974666
"856353"	301.178466	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-2H+Na"	20.974666
"1629166"	301.178466	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Na-2H"	20.974666
"105696"	297.184863	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M-H+Cl"	33.962126
"547442"	437.286763	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M-H+Cl"	33.962126
"927836"	157.082963	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-H+Cl"	33.962126
"268579"	595.377002	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+Cl"	34.969402
"668657"	875.580802	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+Cl"	34.969402
"1286529"	315.173202	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Cl"	34.969402
"26900"	597.356206	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M-2H+K"	36.948606
"463179"	877.560006	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M-2H+K"	36.948606
"846452"	317.152406	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-2H+K"	36.948606
"1567753"	317.152406	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+K-2H"	36.948606
"951269"	325.201994	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-H+HCOOH"	44.998194
"373854"	605.405801	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+HCOOH-H"	44.998201
"359195"	619.421451	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+Hac-H"	59.013851
"1504381"	339.217651	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Hac-H"	59.013851
"967550"	347.183951	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-H+NaCOOH"	66.980151
"119737"	315.173202	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+2Cl"	69.938804
"561487"	455.275102	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+2Cl"	69.938804
"1033569"	175.071302	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2Cl"	69.938804
"1255335"	359.122685	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Br"	78.918885
"1318512"	361.178672	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Cl+HCOOH"	80.974872
"1334554"	383.160629	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Cl+NaCOOH"	102.956829
"926830"	393.189386	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M-H+CF3COOH"	112.985586
"1303538"	429.166064	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Cl+CF3COOH"	148.962264
"1381938"	245.191124	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H-2H2O"	-35.012676
"1398354"	263.2011	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H-H2O"	-17.0027
"295476"	561.414876	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+H"	1.007276
"690451"	841.618676	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+H"	1.007276
"1366072"	281.211076	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H"	1.007276
"134585"	281.211076	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+2H"	2.014552
"579979"	421.312976	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+2H"	2.014552
"1050237"	141.109176	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2H"	2.014552
"216679"	187.809809333333	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+3H"	3.021828
"656238"	281.211076	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+3H"	3.021828
"1172904"	94.4085426666667	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+3H"	3.021828
"431803"	578.441423	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+NH4"	18.033823
"797173"	858.645223	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+NH4"	18.033823
"1695333"	298.237623	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+NH4"	18.033823
"337410"	289.7243495	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+H+NH4"	19.041099
"733112"	429.8262495	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+H+NH4"	19.041099
"1491552"	149.6224495	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H+NH4"	19.041099
"404155"	583.396818	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+Na"	22.989218
"766607"	863.600618	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+Na"	22.989218
"1613249"	303.193018	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Na"	22.989218
"325842"	292.202047	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+H+Na"	23.996494
"722762"	432.303947	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+H+Na"	23.996494
"1476713"	152.100147	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H+Na"	23.996494
"1067771"	101.735856666667	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2H+Na"	25.00377
"1272364"	313.237286	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+CH3OH+H"	33.033486
"389967"	599.370758	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+K"	38.963158
"752060"	879.574558	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+K"	38.963158
"1554110"	319.166958	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+K"	38.963158
"313720"	300.189017	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+H+K"	39.970434
"705896"	440.290917	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+H+K"	39.970434
"1460452"	160.087117	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H+K"	39.970434
"249055"	602.441426	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+ACN+H"	42.033826
"1223589"	322.237626	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+ACN+H"	42.033826
"1208927"	161.622451	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+ACN+2H"	43.041102
"202409"	605.37876	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+2Na-H"	44.97116
"644210"	885.58256	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+2Na-H"	44.97116
"1147007"	325.17496	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2Na-H"	44.97116
"188440"	303.193018	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+2Na"	45.978436
"628515"	443.294918	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+2Na"	45.978436
"1131261"	163.091118	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2Na"	45.978436
"1413856"	109.063170666667	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H+2Na"	46.985712
"1445359"	327.216546	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H+HCOOH"	47.012746
"235340"	308.22604	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+3H2O+2H"	56.04448
"1523526"	341.26859	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+IsoProp+H"	61.06479
"423812"	311.179988	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+Na+K"	61.952376
"785301"	451.281888	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+Na+K"	61.952376
"1680778"	171.078088	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Na+K"	61.952376
"266570"	624.423368	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+ACN+Na"	64.015768
"1241101"	344.219568	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+ACN+Na"	64.015768
"1722451"	344.243093	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+NH4+HCOOH"	64.039293
"1188900"	116.390484666667	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+3Na"	68.967654
"1658790"	349.198488	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Na+HCOOH"	68.994688
"162006"	637.32664	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+2K-H"	76.91904
"606308"	917.53044	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+2K-H"	76.91904
"1087904"	357.12284	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2K-H"	76.91904
"148728"	319.166958	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"2M+2K"	77.926316
"584643"	459.268858	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"3M+2K"	77.926316
"1073896"	179.065058	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2K"	77.926316
"1106011"	359.137392	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2K+H"	78.933592
"1342396"	359.225007	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+DMSO+H"	79.021207
"1013114"	363.264176	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2ACN+H"	83.060376
"1532332"	364.257808	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+IsoProp+Na+H"	84.054008
"997686"	182.135726	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+2ACN+2H"	84.067652
"1595470"	365.172428	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+K+HCOOH"	84.968628
"1421129"	395.203938	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+H+CF3COOH"	115.000138
"1157979"	202.649001	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+3ACN+2H"	125.094202
"1708626"	412.230485	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+NH4+CF3COOH"	132.026685
"1640995"	417.18588	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+Na+CF3COOH"	136.98208
"1575555"	433.15982	"C20388"	"12(S)-HHT;(12S5Z8E10E)-12-Hydroxy-5810-heptadecatrienoic acid"	"C17H28O3"	"280.2038"	"M+K+CF3COOH"	152.95602
"813576"	307.1875	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M"	0
"988209"	288.16911	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-H2O-H"	-19.01839
"70982"	203.784390666667	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M-3H"	-3.021828
"507262"	306.180224	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M-3H"	-3.021828
"882877"	101.388557333333	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-3H"	-3.021828
"13853"	306.180224	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M-2H"	-2.014552
"454265"	459.773974	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M-2H"	-2.014552
"830486"	152.586474	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-2H"	-2.014552
"92546"	613.367724	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M-H"	-1.007276
"532228"	920.555224	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M-H"	-1.007276
"908214"	306.180224	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-H"	-1.007276
"60159"	630.394271	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M-2H+NH4"	16.019271
"500326"	937.581771	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M-2H+NH4"	16.019271
"876669"	323.206771	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-2H+NH4"	16.019271
"45172"	635.349666	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M-2H+Na"	20.974666
"483036"	942.537166	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M-2H+Na"	20.974666
"853182"	328.162166	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-2H+Na"	20.974666
"1628181"	328.162166	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Na-2H"	20.974666
"102524"	324.168563	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M-H+Cl"	33.962126
"538805"	477.762313	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M-H+Cl"	33.962126
"927294"	170.574813	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-H+Cl"	33.962126
"267385"	649.344402	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+Cl"	34.969402
"662205"	956.531902	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+Cl"	34.969402
"1273146"	342.156902	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Cl"	34.969402
"16314"	651.323606	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M-2H+K"	36.948606
"460007"	958.511106	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M-2H+K"	36.948606
"837810"	344.136106	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-2H+K"	36.948606
"1568592"	344.136106	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+K-2H"	36.948606
"946996"	352.185694	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-H+HCOOH"	44.998194
"367398"	659.373201	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+HCOOH-H"	44.998201
"351647"	673.388851	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+Hac-H"	59.013851
"1504127"	366.201351	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Hac-H"	59.013851
"965471"	374.167651	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-H+NaCOOH"	66.980151
"119847"	342.156902	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+2Cl"	69.938804
"557584"	495.750652	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+2Cl"	69.938804
"1030392"	188.563152	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2Cl"	69.938804
"1251068"	386.106385	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Br"	78.918885
"1313517"	388.162372	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Cl+HCOOH"	80.974872
"1334178"	410.144329	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Cl+NaCOOH"	102.956829
"926573"	420.173086	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M-H+CF3COOH"	112.985586
"1303770"	456.149764	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Cl+CF3COOH"	148.962264
"1381927"	272.174824	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H-2H2O"	-35.012676
"1397603"	290.1848	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H-H2O"	-17.0027
"295222"	615.382276	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+H"	1.007276
"689102"	922.569776	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+H"	1.007276
"1366593"	308.194776	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H"	1.007276
"137247"	308.194776	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+2H"	2.014552
"580820"	461.788526	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+2H"	2.014552
"1052213"	154.601026	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2H"	2.014552
"217152"	205.798942666667	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+3H"	3.021828
"653796"	308.194776	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+3H"	3.021828
"1171921"	103.403109333333	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+3H"	3.021828
"430820"	632.408823	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+NH4"	18.033823
"797283"	939.596323	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+NH4"	18.033823
"1693251"	325.221323	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+NH4"	18.033823
"336427"	316.7080495	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+H+NH4"	19.041099
"733222"	470.3017995	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+H+NH4"	19.041099
"1492030"	163.1142995	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H+NH4"	19.041099
"406456"	637.364218	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+Na"	22.989218
"767451"	944.551718	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+Na"	22.989218
"1617130"	330.176718	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Na"	22.989218
"323766"	319.185747	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+H+Na"	23.996494
"722032"	472.779497	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+H+Na"	23.996494
"1475846"	165.591997	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H+Na"	23.996494
"1066178"	110.730423333333	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2H+Na"	25.00377
"1271262"	340.220986	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+CH3OH+H"	33.033486
"391173"	653.338158	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+K"	38.963158
"752165"	960.525658	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+K"	38.963158
"1553251"	346.150658	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+K"	38.963158
"312734"	327.172717	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+H+K"	39.970434
"705641"	480.766467	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+H+K"	39.970434
"1460197"	173.578967	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H+K"	39.970434
"249530"	656.408826	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+ACN+H"	42.033826
"1222969"	349.221326	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+ACN+H"	42.033826
"1207217"	175.114301	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+ACN+2H"	43.041102
"202638"	659.34616	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+2Na-H"	44.97116
"643539"	966.53366	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+2Na-H"	44.97116
"1146640"	352.15866	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2Na-H"	44.97116
"188027"	330.176718	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+2Na"	45.978436
"628359"	483.770468	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+2Na"	45.978436
"1131214"	176.582968	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2Na"	45.978436
"1413882"	118.057737333333	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H+2Na"	46.985712
"1445271"	354.200246	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H+HCOOH"	47.012746
"235210"	335.20974	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+3H2O+2H"	56.04448
"1523677"	368.25229	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+IsoProp+H"	61.06479
"423316"	338.163688	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+Na+K"	61.952376
"783948"	491.757438	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+Na+K"	61.952376
"1680159"	184.569938	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Na+K"	61.952376
"264979"	678.390768	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+ACN+Na"	64.015768
"1238052"	371.203268	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+ACN+Na"	64.015768
"1727545"	371.226793	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+NH4+HCOOH"	64.039293
"1189010"	125.385051333333	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+3Na"	68.967654
"1658900"	376.182188	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Na+HCOOH"	68.994688
"162482"	691.29404	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+2K-H"	76.91904
"606418"	998.48154	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+2K-H"	76.91904
"1094210"	384.10654	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2K-H"	76.91904
"148838"	346.150658	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"2M+2K"	77.926316
"587305"	499.744408	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"3M+2K"	77.926316
"1074006"	192.556908	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2K"	77.926316
"1106121"	386.121092	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2K+H"	78.933592
"1342506"	386.208707	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+DMSO+H"	79.021207
"1016504"	390.247876	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2ACN+H"	83.060376
"1535723"	391.241508	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+IsoProp+Na+H"	84.054008
"997796"	195.627576	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+2ACN+2H"	84.067652
"1595580"	392.156128	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+K+HCOOH"	84.968628
"1421239"	422.187638	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+H+CF3COOH"	115.000138
"1158089"	216.140851	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+3ACN+2H"	125.094202
"1708736"	439.214185	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+NH4+CF3COOH"	132.026685
"1641105"	444.16958	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+Na+CF3COOH"	136.98208
"1574572"	460.14352	"C20389"	"Lauryltrimethylaminium bromide;Dodecyltrimethylammonium bromide;LTAB"	"C15H34NBr"	"307.1875"	"M+K+CF3COOH"	152.95602
"813686"	1061.6486	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M"	0
"988315"	1042.63021	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-H2O-H"	-19.01839
"67813"	706.758457333333	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M-3H"	-3.021828
"506279"	1060.641324	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M-3H"	-3.021828
"882987"	352.875590666667	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-3H"	-3.021828
"13234"	1060.641324	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M-2H"	-2.014552
"454617"	1591.465624	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M-2H"	-2.014552
"830596"	529.817024	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-2H"	-2.014552
"92775"	2122.289924	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M-H"	-1.007276
"533065"	3183.938524	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M-H"	-1.007276
"909413"	1060.641324	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-H"	-1.007276
"61117"	2139.316471	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M-2H+NH4"	16.019271
"501406"	3200.965071	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M-2H+NH4"	16.019271
"877870"	1077.667871	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-2H+NH4"	16.019271
"46133"	2144.271866	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M-2H+Na"	20.974666
"484967"	3205.920466	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M-2H+Na"	20.974666
"858759"	1082.623266	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-2H+Na"	20.974666
"1626103"	1082.623266	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Na-2H"	20.974666
"102634"	1078.629663	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M-H+Cl"	33.962126
"538915"	1609.453963	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M-H+Cl"	33.962126
"928176"	547.805363	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-H+Cl"	33.962126
"268912"	2158.266602	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+Cl"	34.969402
"662315"	3219.915202	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+Cl"	34.969402
"1273498"	1096.618002	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Cl"	34.969402
"16668"	2160.245806	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M-2H+K"	36.948606
"460117"	3221.894406	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M-2H+K"	36.948606
"837920"	1098.597206	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-2H+K"	36.948606
"1567972"	1098.597206	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+K-2H"	36.948606
"951480"	1106.646794	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-H+HCOOH"	44.998194
"365321"	2168.295401	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+HCOOH-H"	44.998201
"352486"	2182.311051	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+Hac-H"	59.013851
"1504965"	1120.662451	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Hac-H"	59.013851
"962298"	1128.628751	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-H+NaCOOH"	66.980151
"117769"	1096.618002	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+2Cl"	69.938804
"560246"	1627.442302	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+2Cl"	69.938804
"1029409"	565.793702	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2Cl"	69.938804
"1252635"	1140.567485	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Br"	78.918885
"1312898"	1142.623472	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Cl+HCOOH"	80.974872
"1333558"	1164.605429	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Cl+NaCOOH"	102.956829
"926440"	1174.634186	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M-H+CF3COOH"	112.985586
"1303268"	1210.610864	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Cl+CF3COOH"	148.962264
"1382037"	1026.635924	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H-2H2O"	-35.012676
"1397349"	1044.6459	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H-H2O"	-17.0027
"292416"	2124.304476	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+H"	1.007276
"683379"	3185.953076	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+H"	1.007276
"1365562"	1062.655876	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H"	1.007276
"134440"	1062.655876	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+2H"	2.014552
"567195"	1593.480176	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+2H"	2.014552
"1044258"	531.831576	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2H"	2.014552
"208877"	708.773009333333	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+3H"	3.021828
"646248"	1062.655876	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+3H"	3.021828
"1165470"	354.890142666667	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+3H"	3.021828
"427648"	2141.331023	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+NH4"	18.033823
"793017"	3202.979623	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+NH4"	18.033823
"1693727"	1079.682423	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+NH4"	18.033823
"345285"	1071.1691495	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+H+NH4"	19.041099
"731143"	1601.9934495	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+H+NH4"	19.041099
"1488248"	540.3448495	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H+NH4"	19.041099
"404741"	2146.286418	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+Na"	22.989218
"766832"	3207.935018	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+Na"	22.989218
"1616023"	1084.637818	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Na"	22.989218
"323876"	1073.646847	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+H+Na"	23.996494
"722547"	1604.471147	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+H+Na"	23.996494
"1475594"	542.822547	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H+Na"	23.996494
"1067744"	362.217456666667	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2H+Na"	25.00377
"1271980"	1094.682086	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+CH3OH+H"	33.033486
"392093"	2162.260358	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+K"	38.963158
"752276"	3223.908958	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+K"	38.963158
"1553238"	1100.611758	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+K"	38.963158
"311506"	1081.633817	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+H+K"	39.970434
"705022"	1612.458117	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+H+K"	39.970434
"1460429"	550.809517	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H+K"	39.970434
"249275"	2165.331026	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+ACN+H"	42.033826
"1223441"	1103.682426	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+ACN+H"	42.033826
"1208420"	552.344851	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+ACN+2H"	43.041102
"203600"	2168.26836	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+2Na-H"	44.97116
"643647"	3229.91696	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+2Na-H"	44.97116
"1145938"	1106.61976	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2Na-H"	44.97116
"188461"	1084.637818	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+2Na"	45.978436
"628063"	1615.462118	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+2Na"	45.978436
"1130963"	553.813518	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2Na"	45.978436
"1414041"	369.544770666667	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H+2Na"	46.985712
"1444161"	1108.661346	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H+HCOOH"	47.012746
"232762"	1089.67084	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+3H2O+2H"	56.04448
"1522646"	1122.71339	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+IsoProp+H"	61.06479
"421966"	1092.624788	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+Na+K"	61.952376
"782964"	1623.449088	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+Na+K"	61.952376
"1680635"	561.800488	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Na+K"	61.952376
"266709"	2187.312968	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+ACN+Na"	64.015768
"1240959"	1125.664368	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+ACN+Na"	64.015768
"1727980"	1125.687893	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+NH4+HCOOH"	64.039293
"1192036"	376.872084666667	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+3Na"	68.967654
"1657919"	1130.643288	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Na+HCOOH"	68.994688
"169154"	2200.21624	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+2K-H"	76.91904
"606528"	3261.86484	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+2K-H"	76.91904
"1094320"	1138.56764	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2K-H"	76.91904
"148948"	1100.611758	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"2M+2K"	77.926316
"588508"	1631.436058	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"3M+2K"	77.926316
"1074116"	569.787458	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2K"	77.926316
"1102951"	1140.582192	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2K+H"	78.933592
"1341523"	1140.669807	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+DMSO+H"	79.021207
"1016614"	1144.708976	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2ACN+H"	83.060376
"1535833"	1145.702608	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+IsoProp+Na+H"	84.054008
"997906"	572.858126	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+2ACN+2H"	84.067652
"1592410"	1146.617228	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+K+HCOOH"	84.968628
"1418069"	1176.648738	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+H+CF3COOH"	115.000138
"1160386"	593.371401	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+3ACN+2H"	125.094202
"1712126"	1193.675285	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+NH4+CF3COOH"	132.026685
"1641215"	1198.63068	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+Na+CF3COOH"	136.98208
"1574682"	1214.60462	"C20390"	"N-Acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C58H97NO12P2"	"1061.6486"	"M+K+CF3COOH"	152.95602
"813796"	887.1363	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M"	0
"989154"	868.11791	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H2O-H"	-19.01839
"74484"	590.416924	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-3H"	-3.021828
"508577"	886.129024	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-3H"	-3.021828
"887473"	294.704824	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-3H"	-3.021828
"14798"	886.129024	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H"	-2.014552
"450718"	1329.697174	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H"	-2.014552
"831436"	442.560874	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H"	-2.014552
"92521"	1773.265324	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-H"	-1.007276
"533417"	2660.401624	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-H"	-1.007276
"907329"	886.129024	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H"	-1.007276
"60610"	1790.291871	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+NH4"	16.019271
"497983"	2677.428171	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+NH4"	16.019271
"876886"	903.155571	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+NH4"	16.019271
"45513"	1795.247266	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+Na"	20.974666
"484712"	2682.383566	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+Na"	20.974666
"862149"	908.110966	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+Na"	20.974666
"1630589"	908.110966	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na-2H"	20.974666
"106024"	904.117363	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-H+Cl"	33.962126
"541212"	1347.685513	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-H+Cl"	33.962126
"931448"	460.549213	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+Cl"	33.962126
"267811"	1809.242002	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Cl"	34.969402
"670081"	2696.378302	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Cl"	34.969402
"1279205"	922.105702	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl"	34.969402
"29417"	1811.221206	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M-2H+K"	36.948606
"465696"	2698.357506	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M-2H+K"	36.948606
"838030"	924.084906	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-2H+K"	36.948606
"1566989"	924.084906	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K-2H"	36.948606
"950862"	932.134494	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+HCOOH"	44.998194
"370900"	1819.270801	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+HCOOH-H"	44.998201
"356974"	1833.286451	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Hac-H"	59.013851
"1504347"	946.150151	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Hac-H"	59.013851
"968974"	954.116451	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+NaCOOH"	66.980151
"119703"	922.105702	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Cl"	69.938804
"559626"	1365.673852	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Cl"	69.938804
"1026965"	478.537552	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Cl"	69.938804
"1250196"	966.055185	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Br"	78.918885
"1316654"	968.111172	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+HCOOH"	80.974872
"1334032"	990.093129	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+NaCOOH"	102.956829
"924846"	1000.121886	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M-H+CF3COOH"	112.985586
"1302773"	1036.098564	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Cl+CF3COOH"	148.962264
"1382271"	852.123624	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H-2H2O"	-35.012676
"1396852"	870.1336	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H-H2O"	-17.0027
"298390"	1775.279876	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H"	1.007276
"689322"	2662.416176	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H"	1.007276
"1365673"	888.143576	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H"	1.007276
"137467"	888.143576	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2H"	2.014552
"575568"	1331.711726	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2H"	2.014552
"1049471"	444.575426	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2H"	2.014552
"212268"	592.431476	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+3H"	3.021828
"645630"	888.143576	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+3H"	3.021828
"1172142"	296.719376	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3H"	3.021828
"435413"	1792.306423	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+NH4"	18.033823
"797503"	2679.442723	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+NH4"	18.033823
"1692377"	905.170123	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4"	18.033823
"342844"	896.6568495	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+NH4"	19.041099
"734538"	1340.2249995	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+NH4"	19.041099
"1491277"	453.0886995	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+NH4"	19.041099
"403762"	1797.261818	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Na"	22.989218
"765849"	2684.398118	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Na"	22.989218
"1617226"	910.125518	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na"	22.989218
"325079"	899.134547	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+Na"	23.996494
"722577"	1342.702697	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+Na"	23.996494
"1475705"	455.566397	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+Na"	23.996494
"1067495"	304.04669	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2H+Na"	25.00377
"1272091"	920.169786	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+CH3OH+H"	33.033486
"392446"	1813.235758	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+K"	38.963158
"753770"	2700.372058	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+K"	38.963158
"1554808"	926.099458	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K"	38.963158
"311982"	907.121517	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+H+K"	39.970434
"705132"	1350.689667	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+H+K"	39.970434
"1460053"	463.553367	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+K"	39.970434
"249390"	1816.306426	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+ACN+H"	42.033826
"1225572"	929.170126	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+H"	42.033826
"1209806"	465.088701	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+2H"	43.041102
"203469"	1819.24376	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Na-H"	44.97116
"644101"	2706.38006	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Na-H"	44.97116
"1146541"	932.10746	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Na-H"	44.97116
"188127"	910.125518	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2Na"	45.978436
"628096"	1353.693668	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2Na"	45.978436
"1131149"	466.557368	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2Na"	45.978436
"1413984"	311.374004	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+2Na"	46.985712
"1443543"	934.149046	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+HCOOH"	47.012746
"234696"	915.15854	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+3H2O+2H"	56.04448
"1521660"	948.20109	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+IsoProp+H"	61.06479
"423533"	918.112488	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+Na+K"	61.952376
"783804"	1361.680638	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+Na+K"	61.952376
"1681197"	474.544338	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+K"	61.952376
"266943"	1838.288368	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+ACN+Na"	64.015768
"1241305"	951.152068	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+ACN+Na"	64.015768
"1728216"	951.175593	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4+HCOOH"	64.039293
"1193122"	318.701318	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3Na"	68.967654
"1662404"	956.130988	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+HCOOH"	68.994688
"169267"	1851.19164	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2K-H"	76.91904
"612234"	2738.32794	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2K-H"	76.91904
"1098806"	964.05534	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K-H"	76.91904
"155499"	926.099458	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"2M+2K"	77.926316
"590806"	1369.667608	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"3M+2K"	77.926316
"1077506"	482.531308	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K"	77.926316
"1104152"	966.069892	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2K+H"	78.933592
"1346007"	966.157507	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+DMSO+H"	79.021207
"1016724"	970.196676	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2ACN+H"	83.060376
"1538130"	971.190308	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+IsoProp+Na+H"	84.054008
"998016"	485.601976	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+2ACN+2H"	84.067652
"1595800"	972.104928	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K+HCOOH"	84.968628
"1420366"	1002.136438	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+H+CF3COOH"	115.000138
"1159403"	506.115251	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+3ACN+2H"	125.094202
"1712485"	1019.162985	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+NH4+CF3COOH"	132.026685
"1641325"	1024.11838	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+Na+CF3COOH"	136.98208
"1575885"	1040.09232	"C20394"	"2-Hydroxybenzoyl-CoA;Salicoyl-CoA"	"C28H40N7O18P3S"	"887.1363"	"M+K+CF3COOH"	152.95602
"813906"	619.0452	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M"	0
"988533"	600.02681	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-H2O-H"	-19.01839
"71313"	411.689524	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M-3H"	-3.021828
"510873"	618.037924	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M-3H"	-3.021828
"883207"	205.341124	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-3H"	-3.021828
"8344"	618.037924	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M-2H"	-2.014552
"451187"	927.560524	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M-2H"	-2.014552
"830818"	308.515324	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-2H"	-2.014552
"91170"	1237.083124	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M-H"	-1.007276
"531825"	1856.128324	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M-H"	-1.007276
"908533"	618.037924	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-H"	-1.007276
"58534"	1254.109671	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M-2H+NH4"	16.019271
"498093"	1873.154871	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M-2H+NH4"	16.019271
"876995"	635.064471	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-2H+NH4"	16.019271
"42705"	1259.065066	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M-2H+Na"	20.974666
"484337"	1878.110266	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M-2H+Na"	20.974666
"860073"	640.019866	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-2H+Na"	20.974666
"1627419"	640.019866	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Na-2H"	20.974666
"102854"	636.026263	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M-H+Cl"	33.962126
"541322"	945.548863	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M-H+Cl"	33.962126
"928520"	326.503663	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-H+Cl"	33.962126
"267161"	1273.059802	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+Cl"	34.969402
"669098"	1892.105002	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+Cl"	34.969402
"1279315"	654.014602	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Cl"	34.969402
"29527"	1275.039006	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M-2H+K"	36.948606
"463619"	1894.084206	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M-2H+K"	36.948606
"838140"	655.993806	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-2H+K"	36.948606
"1568192"	655.993806	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+K-2H"	36.948606
"951701"	664.043394	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-H+HCOOH"	44.998194
"367000"	1283.088601	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+HCOOH-H"	44.998201
"355987"	1297.104251	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+Hac-H"	59.013851
"1503727"	678.059051	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Hac-H"	59.013851
"964708"	686.025351	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-H+NaCOOH"	66.980151
"121270"	654.014602	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+2Cl"	69.938804
"559736"	963.537202	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+2Cl"	69.938804
"1027440"	344.492002	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2Cl"	69.938804
"1252493"	697.964085	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Br"	78.918885
"1315671"	700.020072	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Cl+HCOOH"	80.974872
"1332073"	722.002029	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Cl+NaCOOH"	102.956829
"925323"	732.030786	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M-H+CF3COOH"	112.985586
"1303491"	768.007464	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Cl+CF3COOH"	148.962264
"1381650"	584.032524	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H-2H2O"	-35.012676
"1395868"	602.0425	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H-H2O"	-17.0027
"298068"	1239.097676	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+H"	1.007276
"688339"	1858.142876	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+H"	1.007276
"1364324"	620.052476	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H"	1.007276
"136484"	620.052476	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+2H"	2.014552
"574950"	929.575076	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+2H"	2.014552
"1047394"	310.529876	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2H"	2.014552
"209097"	413.704076	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+3H"	3.021828
"645739"	620.052476	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+3H"	3.021828
"1165690"	207.355676	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+3H"	3.021828
"435159"	1256.124223	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+NH4"	18.033823
"793237"	1875.169423	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+NH4"	18.033823
"1691027"	637.079023	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+NH4"	18.033823
"343321"	628.5657495	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+H+NH4"	19.041099
"736104"	938.0883495	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+H+NH4"	19.041099
"1488470"	319.0431495	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H+NH4"	19.041099
"405695"	1261.079618	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+Na"	22.989218
"765960"	1880.124818	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+Na"	22.989218
"1616245"	642.034418	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Na"	22.989218
"324825"	631.043447	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+H+Na"	23.996494
"722796"	940.566047	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+H+Na"	23.996494
"1476507"	321.520847	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H+Na"	23.996494
"1067973"	214.68299	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2H+Na"	25.00377
"1271834"	652.078686	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+CH3OH+H"	33.033486
"392775"	1277.053558	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+K"	38.963158
"752864"	1896.098758	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+K"	38.963158
"1555533"	658.008358	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+K"	38.963158
"313551"	639.030417	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+H+K"	39.970434
"706585"	948.553017	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+H+K"	39.970434
"1461014"	329.507817	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H+K"	39.970434
"251284"	1280.124226	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+ACN+H"	42.033826
"1224883"	661.079026	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+ACN+H"	42.033826
"1209010"	331.043151	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+ACN+2H"	43.041102
"204056"	1283.06156	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+2Na-H"	44.97116
"644179"	1902.10676	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+2Na-H"	44.97116
"1146984"	664.01636	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2Na-H"	44.97116
"188161"	642.034418	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+2Na"	45.978436
"628287"	951.557018	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+2Na"	45.978436
"1131182"	332.511818	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2Na"	45.978436
"1414060"	222.010304	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H+2Na"	46.985712
"1444139"	666.057946	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H+HCOOH"	47.012746
"235049"	647.06744	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+3H2O+2H"	56.04448
"1518854"	680.10999	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+IsoProp+H"	61.06479
"422551"	650.021388	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+Na+K"	61.952376
"785373"	959.543988	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+Na+K"	61.952376
"1678421"	340.498788	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Na+K"	61.952376
"266646"	1302.106168	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+ACN+Na"	64.015768
"1241300"	683.060968	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+ACN+Na"	64.015768
"1728080"	683.084493	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+NH4+HCOOH"	64.039293
"1194157"	229.337618	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+3Na"	68.967654
"1661421"	688.039888	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Na+HCOOH"	68.994688
"168284"	1315.00944	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+2K-H"	76.91904
"612424"	1934.05464	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+2K-H"	76.91904
"1099283"	695.96424	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2K-H"	76.91904
"155609"	658.008358	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"2M+2K"	77.926316
"590916"	967.530958	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"3M+2K"	77.926316
"1077616"	348.485758	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2K"	77.926316
"1104262"	697.978792	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2K+H"	78.933592
"1346117"	698.066407	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+DMSO+H"	79.021207
"1016834"	702.105576	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2ACN+H"	83.060376
"1537876"	703.099208	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+IsoProp+Na+H"	84.054008
"995939"	351.556426	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+2ACN+2H"	84.067652
"1593723"	704.013828	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+K+HCOOH"	84.968628
"1421569"	734.045338	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+H+CF3COOH"	115.000138
"1152952"	372.069701	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+3ACN+2H"	125.094202
"1712306"	751.071885	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+NH4+CF3COOH"	132.026685
"1641435"	756.02728	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+Na+CF3COOH"	136.98208
"1575995"	772.00122	"C20395"	"UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate;UDP-3-keto-GlcNAcA"	"C17H23N3O18P2"	"619.0452"	"M+K+CF3COOH"	152.95602
"814016"	95.9976	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M"	0
"988643"	76.97921	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-H2O-H"	-19.01839
"71423"	62.991124	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M-3H"	-3.021828
"508797"	94.990324	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M-3H"	-3.021828
"883317"	30.991924	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-3H"	-3.021828
"7361"	94.990324	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M-2H"	-2.014552
"448017"	142.989124	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M-2H"	-2.014552
"826918"	46.991524	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-2H"	-2.014552
"87999"	190.987924	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M-H"	-1.007276
"528655"	286.985524	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M-H"	-1.007276
"899894"	94.990324	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-H"	-1.007276
"54269"	208.014471	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M-2H+NH4"	16.019271
"493829"	304.012071	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M-2H+NH4"	16.019271
"872730"	112.016871	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-2H+NH4"	16.019271
"41722"	212.969866	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M-2H+Na"	20.974666
"482378"	308.967466	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M-2H+Na"	20.974666
"856903"	116.972266	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-2H+Na"	20.974666
"1627529"	116.972266	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Na-2H"	20.974666
"104057"	112.978663	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M-H+Cl"	33.962126
"538152"	160.977463	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M-H+Cl"	33.962126
"928388"	64.979863	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-H+Cl"	33.962126
"267258"	226.964602	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+Cl"	34.969402
"669208"	322.962202	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+Cl"	34.969402
"1280518"	130.967002	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Cl"	34.969402
"24170"	228.943806	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M-2H+K"	36.948606
"460449"	324.941406	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M-2H+K"	36.948606
"838250"	132.946206	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-2H+K"	36.948606
"1561741"	132.946206	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+K-2H"	36.948606
"949625"	140.995794	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-H+HCOOH"	44.998194
"370027"	236.993401	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+HCOOH-H"	44.998201
"355004"	251.009051	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+Hac-H"	59.013851
"1501651"	155.011451	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Hac-H"	59.013851
"963724"	162.977751	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-H+NaCOOH"	66.980151
"120286"	130.967002	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+2Cl"	69.938804
"557658"	178.965802	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+2Cl"	69.938804
"1026457"	82.968202	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2Cl"	69.938804
"1249322"	174.916485	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Br"	78.918885
"1316145"	176.972472	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Cl+HCOOH"	80.974872
"1332547"	198.954429	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Cl+NaCOOH"	102.956829
"926523"	208.983186	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M-H+CF3COOH"	112.985586
"1302872"	244.959864	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Cl+CF3COOH"	148.962264
"1381759"	60.984924	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H-2H2O"	-35.012676
"1397071"	78.9949	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H-H2O"	-17.0027
"297121"	193.002476	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+H"	1.007276
"685169"	289.000076	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+H"	1.007276
"1363705"	97.004876	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H"	1.007276
"137687"	97.004876	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+2H"	2.014552
"569227"	145.003676	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+2H"	2.014552
"1039238"	49.006076	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2H"	2.014552
"209205"	65.005676	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+3H"	3.021828
"645968"	97.004876	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+3H"	3.021828
"1165800"	33.006476	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+3H"	3.021828
"435269"	210.029023	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+NH4"	18.033823
"793347"	306.026623	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+NH4"	18.033823
"1688582"	114.031423	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+NH4"	18.033823
"341969"	105.5181495	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+H+NH4"	19.041099
"736581"	153.5169495	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+H+NH4"	19.041099
"1491374"	57.5193495	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H+NH4"	19.041099
"405805"	214.984418	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+Na"	22.989218
"765706"	310.982018	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+Na"	22.989218
"1614531"	118.986818	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Na"	22.989218
"323105"	107.995847	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+H+Na"	23.996494
"721981"	155.994647	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+H+Na"	23.996494
"1476169"	59.997047	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H+Na"	23.996494
"1066990"	40.33379	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2H+Na"	25.00377
"1271579"	129.031086	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+CH3OH+H"	33.033486
"391488"	230.958358	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+K"	38.963158
"752610"	326.955958	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+K"	38.963158
"1555578"	134.960758	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+K"	38.963158
"312932"	115.982817	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+H+K"	39.970434
"706735"	163.981617	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+H+K"	39.970434
"1460266"	67.984017	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H+K"	39.970434
"245587"	234.029026	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+ACN+H"	42.033826
"1225224"	138.031426	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+ACN+H"	42.033826
"1209525"	69.519351	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+ACN+2H"	43.041102
"204239"	236.96636	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+2Na-H"	44.97116
"644058"	332.96396	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+2Na-H"	44.97116
"1146600"	140.96876	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2Na-H"	44.97116
"188459"	118.986818	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+2Na"	45.978436
"628376"	166.985618	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+2Na"	45.978436
"1130799"	70.988018	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2Na"	45.978436
"1413230"	47.661104	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H+2Na"	46.985712
"1444127"	143.010346	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H+HCOOH"	47.012746
"235281"	124.01984	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+3H2O+2H"	56.04448
"1517871"	157.06239	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+IsoProp+H"	61.06479
"421566"	126.973788	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+Na+K"	61.952376
"784511"	174.972588	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+Na+K"	61.952376
"1678895"	78.974988	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Na+K"	61.952376
"265054"	256.010968	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+ACN+Na"	64.015768
"1239585"	160.013368	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+ACN+Na"	64.015768
"1727013"	160.036893	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+NH4+HCOOH"	64.039293
"1193464"	54.988418	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+3Na"	68.967654
"1661531"	164.992288	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Na+HCOOH"	68.994688
"167301"	268.91424	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+2K-H"	76.91904
"611236"	364.91184	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+2K-H"	76.91904
"1095748"	172.91664	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2K-H"	76.91904
"155355"	134.960758	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"2M+2K"	77.926316
"591026"	182.959558	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"3M+2K"	77.926316
"1077726"	86.961958	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2K"	77.926316
"1104373"	174.931192	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2K+H"	78.933592
"1346227"	175.018807	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+DMSO+H"	79.021207
"1015851"	179.057976	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2ACN+H"	83.060376
"1539080"	180.051608	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+IsoProp+Na+H"	84.054008
"996049"	90.032626	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+2ACN+2H"	84.067652
"1590553"	180.966228	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+K+HCOOH"	84.968628
"1421679"	210.997738	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+H+CF3COOH"	115.000138
"1151969"	110.545901	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+3ACN+2H"	125.094202
"1712456"	228.024285	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+NH4+CF3COOH"	132.026685
"1640452"	232.97968	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+Na+CF3COOH"	136.98208
"1575012"	248.95362	"C20396"	"Methylphosphonate"	"CH5O3P"	"95.9976"	"M+K+CF3COOH"	152.95602
"814126"	278.1154	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M"	0
"988753"	259.09701	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-H2O-H"	-19.01839
"71533"	184.402990666667	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M-3H"	-3.021828
"508907"	277.108124	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M-3H"	-3.021828
"883427"	91.6978573333333	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-3H"	-3.021828
"7471"	277.108124	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M-2H"	-2.014552
"447034"	416.165824	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M-2H"	-2.014552
"829213"	138.050424	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-2H"	-2.014552
"84828"	555.223524	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M-H"	-1.007276
"529858"	833.338924	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M-H"	-1.007276
"903283"	277.108124	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-H"	-1.007276
"53286"	572.250071	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M-2H+NH4"	16.019271
"492846"	850.365471	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M-2H+NH4"	16.019271
"875026"	294.134671	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-2H+NH4"	16.019271
"41832"	577.205466	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M-2H+Na"	20.974666
"483581"	855.320866	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M-2H+Na"	20.974666
"860294"	299.090066	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-2H+Na"	20.974666
"1631650"	299.090066	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Na-2H"	20.974666
"107452"	295.096463	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M-H+Cl"	33.962126
"544822"	434.154163	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M-H+Cl"	33.962126
"931778"	156.038763	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-H+Cl"	33.962126
"270333"	591.200202	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+Cl"	34.969402
"670413"	869.315602	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+Cl"	34.969402
"1278445"	313.084802	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Cl"	34.969402
"22096"	593.179406	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M-2H+K"	36.948606
"462749"	871.294806	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M-2H+K"	36.948606
"841640"	315.064006	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-2H+K"	36.948606
"1565133"	315.064006	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+K-2H"	36.948606
"949735"	323.113594	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-H+HCOOH"	44.998194
"371232"	601.229001	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+HCOOH-H"	44.998201
"356210"	615.244651	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+Hac-H"	59.013851
"1501762"	337.129251	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Hac-H"	59.013851
"964927"	345.095551	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-H+NaCOOH"	66.980151
"117479"	313.084802	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+2Cl"	69.938804
"554487"	452.142502	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+2Cl"	69.938804
"1027295"	174.027102	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2Cl"	69.938804
"1250522"	357.034285	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Br"	78.918885
"1312971"	359.090272	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Cl+HCOOH"	80.974872
"1330467"	381.072229	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Cl+NaCOOH"	102.956829
"923349"	391.100986	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M-H+CF3COOH"	112.985586
"1301514"	427.077664	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Cl+CF3COOH"	148.962264
"1376396"	243.102724	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H-2H2O"	-35.012676
"1386605"	261.1127	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H-H2O"	-17.0027
"287020"	557.238076	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+H"	1.007276
"677982"	835.353476	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+H"	1.007276
"1353968"	279.122676	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H"	1.007276
"127584"	279.122676	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+2H"	2.014552
"569695"	418.180376	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+2H"	2.014552
"1040316"	140.064976	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2H"	2.014552
"208221"	186.417542666667	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+3H"	3.021828
"646322"	279.122676	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+3H"	3.021828
"1165532"	93.7124093333334	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+3H"	3.021828
"429173"	574.264623	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+NH4"	18.033823
"790171"	852.380023	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+NH4"	18.033823
"1689788"	296.149223	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+NH4"	18.033823
"343172"	287.6359495	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+H+NH4"	19.041099
"736690"	426.6936495	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+H+NH4"	19.041099
"1490873"	148.5782495	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H+NH4"	19.041099
"405182"	579.220018	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+Na"	22.989218
"767272"	857.335418	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+Na"	22.989218
"1615369"	301.104618	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Na"	22.989218
"324309"	290.113647	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+H+Na"	23.996494
"721114"	429.171347	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+H+Na"	23.996494
"1475917"	151.055947	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H+Na"	23.996494
"1066855"	101.039723333333	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2H+Na"	25.00377
"1271087"	311.148886	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+CH3OH+H"	33.033486
"391971"	595.193958	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+K"	38.963158
"753696"	873.309358	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+K"	38.963158
"1553684"	317.078558	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+K"	38.963158
"313288"	298.100617	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+H+K"	39.970434
"707012"	437.158317	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+H+K"	39.970434
"1458189"	159.042917	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H+K"	39.970434
"246427"	598.264626	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+ACN+H"	42.033826
"1225496"	320.149226	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+ACN+H"	42.033826
"1209556"	160.578251	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+ACN+2H"	43.041102
"203967"	601.20196	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+2Na-H"	44.97116
"643852"	879.31736	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+2Na-H"	44.97116
"1146751"	323.08656	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2Na-H"	44.97116
"188097"	301.104618	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+2Na"	45.978436
"628227"	440.162318	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+2Na"	45.978436
"1130672"	162.046918	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2Na"	45.978436
"1412245"	108.367037333333	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H+2Na"	46.985712
"1442410"	325.128146	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H+HCOOH"	47.012746
"233809"	306.13764	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+3H2O+2H"	56.04448
"1517981"	339.18019	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+IsoProp+H"	61.06479
"419853"	309.091588	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+Na+K"	61.952376
"783404"	448.149288	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+Na+K"	61.952376
"1677181"	170.033888	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Na+K"	61.952376
"266501"	620.246568	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+ACN+Na"	64.015768
"1240791"	342.131168	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+ACN+Na"	64.015768
"1727615"	342.154693	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+NH4+HCOOH"	64.039293
"1192841"	115.694351333333	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+3Na"	68.967654
"1662734"	347.110088	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Na+HCOOH"	68.994688
"172152"	633.14984	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+2K-H"	76.91904
"610986"	911.26524	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+2K-H"	76.91904
"1099022"	355.03444	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2K-H"	76.91904
"156563"	317.078558	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"2M+2K"	77.926316
"592229"	456.136258	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"3M+2K"	77.926316
"1077836"	178.020858	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2K"	77.926316
"1106670"	357.048992	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2K+H"	78.933592
"1340869"	357.136607	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+DMSO+H"	79.021207
"1015961"	361.175776	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2ACN+H"	83.060376
"1532992"	362.169408	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+IsoProp+Na+H"	84.054008
"999440"	181.091526	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+2ACN+2H"	84.067652
"1590663"	363.084028	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+K+HCOOH"	84.968628
"1418509"	393.115538	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+H+CF3COOH"	115.000138
"1152079"	201.604801	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+3ACN+2H"	125.094202
"1712203"	410.142085	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+NH4+CF3COOH"	132.026685
"1640562"	415.09748	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+Na+CF3COOH"	136.98208
"1575122"	431.07142	"C20397"	"Pentalenolactone F"	"C15H18O5"	"278.1154"	"M+K+CF3COOH"	152.95602
"816423"	262.1205	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M"	0
"988500"	243.10211	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-H2O-H"	-19.01839
"69456"	173.739724	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M-3H"	-3.021828
"509017"	261.113224	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M-3H"	-3.021828
"883537"	86.366224	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-3H"	-3.021828
"3205"	261.113224	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M-2H"	-2.014552
"441060"	392.173474	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M-2H"	-2.014552
"824943"	130.052974	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-2H"	-2.014552
"86031"	523.233724	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M-H"	-1.007276
"527777"	785.354224	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M-H"	-1.007276
"901207"	261.113224	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-H"	-1.007276
"56677"	540.260271	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M-2H+NH4"	16.019271
"492956"	802.380771	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M-2H+NH4"	16.019271
"876229"	278.139771	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-2H+NH4"	16.019271
"41942"	545.215666	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M-2H+Na"	20.974666
"478218"	807.336166	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M-2H+Na"	20.974666
"860404"	283.095166	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-2H+Na"	20.974666
"1632610"	283.095166	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Na-2H"	20.974666
"108652"	279.101563	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M-H+Cl"	33.962126
"544932"	410.161813	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M-H+Cl"	33.962126
"931888"	148.041313	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-H+Cl"	33.962126
"269350"	559.210402	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+Cl"	34.969402
"670524"	821.330902	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+Cl"	34.969402
"1279645"	297.089902	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Cl"	34.969402
"26210"	561.189606	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M-2H+K"	36.948606
"460669"	823.310106	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M-2H+K"	36.948606
"838470"	299.069106	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-2H+K"	36.948606
"1565243"	299.069106	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+K-2H"	36.948606
"948752"	307.118694	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-H+HCOOH"	44.998194
"372432"	569.239201	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+HCOOH-H"	44.998201
"355590"	583.254851	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+Hac-H"	59.013851
"1500777"	321.134351	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Hac-H"	59.013851
"962484"	329.100651	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-H+NaCOOH"	66.980151
"112119"	297.089902	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+2Cl"	69.938804
"552041"	428.150152	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+2Cl"	69.938804
"1022661"	166.029652	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2Cl"	69.938804
"1248446"	341.039385	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Br"	78.918885
"1311259"	343.095372	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Cl+HCOOH"	80.974872
"1327662"	365.077329	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Cl+NaCOOH"	102.956829
"921637"	375.106086	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M-H+CF3COOH"	112.985586
"1299438"	411.082764	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Cl+CF3COOH"	148.962264
"1373226"	227.107824	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H-2H2O"	-35.012676
"1387079"	245.1178	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H-H2O"	-17.0027
"287494"	525.248276	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+H"	1.007276
"678456"	787.368776	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+H"	1.007276
"1355171"	263.127776	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H"	1.007276
"126236"	263.127776	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+2H"	2.014552
"571628"	394.188026	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+2H"	2.014552
"1039698"	132.067526	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2H"	2.014552
"209424"	175.754276	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+3H"	3.021828
"645703"	263.127776	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+3H"	3.021828
"1165280"	88.380776	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+3H"	3.021828
"426005"	542.274823	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+NH4"	18.033823
"788094"	804.395323	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+NH4"	18.033823
"1690992"	280.154323	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+NH4"	18.033823
"343647"	271.6410495	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+H+NH4"	19.041099
"735705"	402.7012995	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+H+NH4"	19.041099
"1490619"	140.5807995	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H+NH4"	19.041099
"403104"	547.230218	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+Na"	22.989218
"763004"	809.350718	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+Na"	22.989218
"1613290"	285.109718	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Na"	22.989218
"325513"	274.118747	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+H+Na"	23.996494
"722075"	405.178997	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+H+Na"	23.996494
"1476632"	143.058497	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H+Na"	23.996494
"1067939"	95.70809	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2H+Na"	25.00377
"1271797"	295.153986	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+CH3OH+H"	33.033486
"392559"	563.204158	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+K"	38.963158
"752470"	825.324658	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+K"	38.963158
"1553064"	301.083658	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+K"	38.963158
"312304"	282.105717	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+H+K"	39.970434
"706429"	413.165967	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+H+K"	39.970434
"1458299"	151.045467	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H+K"	39.970434
"246537"	566.274826	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+ACN+H"	42.033826
"1225088"	304.154326	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+ACN+H"	42.033826
"1209587"	152.580801	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+ACN+2H"	43.041102
"203187"	569.21216	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+2Na-H"	44.97116
"643352"	831.33266	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+2Na-H"	44.97116
"1146739"	307.09166	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2Na-H"	44.97116
"188205"	285.109718	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+2Na"	45.978436
"627638"	416.169968	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+2Na"	45.978436
"1130046"	154.049468	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2Na"	45.978436
"1409311"	103.035404	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H+2Na"	46.985712
"1440333"	309.133246	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H+HCOOH"	47.012746
"230029"	290.14274	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+3H2O+2H"	56.04448
"1518090"	323.18529	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+IsoProp+H"	61.06479
"416682"	293.096688	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+Na+K"	61.952376
"780959"	424.156938	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+Na+K"	61.952376
"1670730"	162.036438	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Na+K"	61.952376
"266366"	588.256768	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+ACN+Na"	64.015768
"1241103"	326.136268	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+ACN+Na"	64.015768
"1727599"	326.159793	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+NH4+HCOOH"	64.039293
"1192951"	110.362718	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+3Na"	68.967654
"1662845"	331.115188	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Na+HCOOH"	68.994688
"171897"	601.16004	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+2K-H"	76.91904
"611093"	863.28054	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+2K-H"	76.91904
"1099126"	339.03954	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2K-H"	76.91904
"154970"	301.083658	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"2M+2K"	77.926316
"591246"	432.143908	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"3M+2K"	77.926316
"1077946"	170.023408	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2K"	77.926316
"1106780"	341.054092	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2K+H"	78.933592
"1346447"	341.141707	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+DMSO+H"	79.021207
"1016071"	345.180876	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2ACN+H"	83.060376
"1536382"	346.174508	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+IsoProp+Na+H"	84.054008
"999550"	173.094076	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+2ACN+2H"	84.067652
"1590773"	347.089128	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+K+HCOOH"	84.968628
"1415703"	377.120638	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+H+CF3COOH"	115.000138
"1152189"	193.607351	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+3ACN+2H"	125.094202
"1709396"	394.147185	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+NH4+CF3COOH"	132.026685
"1649056"	399.10258	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+Na+CF3COOH"	136.98208
"1575232"	415.07652	"C20398"	"Pentalenolactone E"	"C15H18O4"	"262.1205"	"M+K+CF3COOH"	152.95602
"815439"	264.1362	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M"	0
"988975"	245.11781	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"70660"	175.083524	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"513500"	263.128924	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"884740"	87.038124	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"4409"	263.128924	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"440927"	395.197024	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"821772"	131.060824	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"85045"	527.265124	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"527886"	791.401324	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"907875"	263.128924	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"58969"	544.291671	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"500233"	808.427871	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"876334"	280.155471	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"43140"	549.247066	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"478326"	813.383266	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"861609"	285.110866	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1631144"	285.110866	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"106576"	281.117263	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"545043"	413.185363	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"931998"	149.049163	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"270553"	563.241802	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"671360"	827.378002	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1279755"	299.105602	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"25591"	565.221006	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"460779"	829.357206	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"838580"	301.084806	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1563166"	301.084806	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"953234"	309.134394	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"372178"	573.270601	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"353148"	587.286251	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1501617"	323.150051	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"965146"	331.116351	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"114781"	299.105602	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"552152"	431.173702	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1024229"	167.037502	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1248556"	343.055085	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1312098"	345.111072	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1327408"	367.093029	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"921747"	377.121786	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1301734"	413.098464	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1378439"	229.123524	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1387553"	247.1335	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"290520"	529.279676	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"680754"	793.415876	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1357468"	265.143476	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"128896"	265.143476	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"572832"	397.211576	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1043818"	133.075376	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"210627"	177.098076	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"646907"	265.143476	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1167214"	89.052676	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"427206"	546.306223	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"789296"	810.442423	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1686720"	282.170023	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"335001"	273.6567495	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"727422"	405.7248495	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1485620"	141.5886495	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"397738"	551.261618	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"760923"	815.397818	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1607925"	287.125418	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"324527"	276.134447	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"718044"	408.202547	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1471865"	144.066347	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1068205"	96.37999	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1271906"	297.169686	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"392744"	567.235558	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"753309"	831.371758	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1554632"	303.099358	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"312535"	284.121417	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"706863"	416.189517	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1459868"	152.053317	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"245918"	570.306226	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1225399"	306.170026	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1208967"	153.588651	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"203781"	573.24356	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"643909"	837.37976	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1146607"	309.10736	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"188342"	287.125418	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"627630"	419.193518	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1130884"	155.057318	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1409421"	103.707304	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1442630"	311.148946	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"230139"	292.15844	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1518201"	325.20099	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"420072"	295.112388	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"782892"	427.180488	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1677400"	163.044288	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"265748"	592.288168	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1240279"	328.151968	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1726614"	328.175493	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1190875"	111.034618	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1661859"	333.130888	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"172253"	605.19144	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"611811"	869.32764	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1099360"	341.05524	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"156542"	303.099358	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"591356"	435.167458	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1078056"	171.031258	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1105797"	343.069792	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1346557"	343.157407	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1017274"	347.196576	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1533212"	348.190208	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"994192"	174.101926	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1594163"	349.104828	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1416177"	379.136338	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1152299"	194.615201	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1709506"	396.162885	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1649166"	401.11828	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1575342"	417.09222	"C20399"	"Pentalenolactone D"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"813363"	248.1412	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M"	0
"984709"	229.12281	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-H2O-H"	-19.01839
"71863"	164.420190666667	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M-3H"	-3.021828
"514704"	247.133924	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M-3H"	-3.021828
"885944"	81.7064573333333	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-3H"	-3.021828
"2333"	247.133924	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M-2H"	-2.014552
"440266"	371.204524	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M-2H"	-2.014552
"818602"	123.063324	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-2H"	-2.014552
"84062"	495.275124	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M-H"	-1.007276
"527996"	743.416324	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M-H"	-1.007276
"905798"	247.133924	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-H"	-1.007276
"53613"	512.301671	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M-2H+NH4"	16.019271
"499735"	760.442871	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M-2H+NH4"	16.019271
"874258"	264.160471	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-2H+NH4"	16.019271
"43250"	517.257066	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M-2H+Na"	20.974666
"478437"	765.398266	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M-2H+Na"	20.974666
"862083"	269.115866	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-2H+Na"	20.974666
"1631982"	269.115866	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Na-2H"	20.974666
"105593"	265.122263	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M-H+Cl"	33.962126
"544060"	389.192863	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M-H+Cl"	33.962126
"933201"	141.051663	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-H+Cl"	33.962126
"271756"	531.251802	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+Cl"	34.969402
"671105"	779.393002	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+Cl"	34.969402
"1279865"	283.110602	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Cl"	34.969402
"19504"	533.231006	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M-2H+K"	36.948606
"461981"	781.372206	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M-2H+K"	36.948606
"840876"	285.089806	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-2H+K"	36.948606
"1564368"	285.089806	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+K-2H"	36.948606
"950062"	293.139394	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-H+HCOOH"	44.998194
"366454"	541.280601	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+HCOOH-H"	44.998201
"354350"	555.296251	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+Hac-H"	59.013851
"1502089"	307.155051	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Hac-H"	59.013851
"965256"	315.121351	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-H+NaCOOH"	66.980151
"115255"	283.110602	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+2Cl"	69.938804
"552991"	407.181202	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+2Cl"	69.938804
"1022517"	159.040002	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2Cl"	69.938804
"1247936"	327.060085	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Br"	78.918885
"1314394"	329.116072	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Cl+HCOOH"	80.974872
"1330797"	351.098029	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Cl+NaCOOH"	102.956829
"925136"	361.126786	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M-H+CF3COOH"	112.985586
"1302938"	397.103464	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Cl+CF3COOH"	148.962264
"1379278"	213.128524	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H-2H2O"	-35.012676
"1389851"	231.1385	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H-H2O"	-17.0027
"290630"	497.289676	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+H"	1.007276
"681956"	745.430876	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+H"	1.007276
"1360494"	249.148476	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H"	1.007276
"129007"	249.148476	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+2H"	2.014552
"572942"	373.219076	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+2H"	2.014552
"1043928"	125.077876	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2H"	2.014552
"209644"	166.434742666667	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+3H"	3.021828
"648110"	249.148476	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+3H"	3.021828
"1165138"	83.7210093333333	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+3H"	3.021828
"425130"	514.316223	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+NH4"	18.033823
"788313"	762.457423	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+NH4"	18.033823
"1682457"	266.175023	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+NH4"	18.033823
"335111"	257.6617495	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+H+NH4"	19.041099
"724616"	381.7323495	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+H+NH4"	19.041099
"1483543"	133.5911495	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H+NH4"	19.041099
"398941"	519.271618	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+Na"	22.989218
"758846"	767.412818	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+Na"	22.989218
"1606941"	271.130418	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Na"	22.989218
"316978"	260.139447	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+H+Na"	23.996494
"715966"	384.210047	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+H+Na"	23.996494
"1464317"	136.068847	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H+Na"	23.996494
"1066326"	91.0483233333333	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2H+Na"	25.00377
"1265817"	281.174686	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+CH3OH+H"	33.033486
"387670"	535.245558	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+K"	38.963158
"749762"	783.386758	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+K"	38.963158
"1551816"	287.104358	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+K"	38.963158
"311179"	268.126417	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+H+K"	39.970434
"702509"	392.197017	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+H+K"	39.970434
"1456695"	144.055817	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H+K"	39.970434
"242747"	538.316226	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+ACN+H"	42.033826
"1218736"	290.175026	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+ACN+H"	42.033826
"1201526"	145.591151	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+ACN+2H"	43.041102
"204004"	541.25356	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+2Na-H"	44.97116
"643076"	789.39476	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+2Na-H"	44.97116
"1146461"	293.11236	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2Na-H"	44.97116
"186225"	271.130418	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+2Na"	45.978436
"627242"	395.201018	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+2Na"	45.978436
"1128194"	147.059818	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2Na"	45.978436
"1409531"	98.3756373333333	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H+2Na"	46.985712
"1439458"	295.153946	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H+HCOOH"	47.012746
"228059"	276.16344	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+3H2O+2H"	56.04448
"1516121"	309.20599	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+IsoProp+H"	61.06479
"417993"	279.117388	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+Na+K"	61.952376
"781175"	403.187988	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+Na+K"	61.952376
"1677506"	155.046788	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Na+K"	61.952376
"256375"	560.298168	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+ACN+Na"	64.015768
"1234552"	312.156968	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+ACN+Na"	64.015768
"1723441"	312.180493	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+NH4+HCOOH"	64.039293
"1184420"	105.702951333333	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+3Na"	68.967654
"1663063"	317.135888	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Na+HCOOH"	68.994688
"161174"	573.20144	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+2K-H"	76.91904
"608392"	821.34264	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+2K-H"	76.91904
"1097277"	325.06024	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2K-H"	76.91904
"155187"	287.104358	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"2M+2K"	77.926316
"591466"	411.174958	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"3M+2K"	77.926316
"1078166"	163.033758	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2K"	77.926316
"1103720"	327.074792	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2K+H"	78.933592
"1346667"	327.162407	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+DMSO+H"	79.021207
"1015198"	331.201576	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2ACN+H"	83.060376
"1533322"	332.195208	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+IsoProp+Na+H"	84.054008
"996490"	166.104426	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+2ACN+2H"	84.067652
"1590993"	333.109828	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+K+HCOOH"	84.968628
"1414708"	363.141338	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+H+CF3COOH"	115.000138
"1158970"	186.617701	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+3ACN+2H"	125.094202
"1709616"	380.167885	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+NH4+CF3COOH"	132.026685
"1649276"	385.12328	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+Na+CF3COOH"	136.98208
"1575452"	401.09722	"C20400"	"1-Deoxy-11-oxopentalenate"	"C15H20O3"	"248.1412"	"M+K+CF3COOH"	152.95602
"814202"	264.1362	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M"	0
"984819"	245.11781	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-H2O-H"	-19.01839
"71973"	175.083524	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M-3H"	-3.021828
"514814"	263.128924	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M-3H"	-3.021828
"886054"	87.038124	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-3H"	-3.021828
"2443"	263.128924	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H"	-2.014552
"440909"	395.197024	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H"	-2.014552
"818712"	131.060824	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H"	-2.014552
"86359"	527.265124	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M-H"	-1.007276
"527013"	791.401324	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M-H"	-1.007276
"907002"	263.128924	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-H"	-1.007276
"57004"	544.291671	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H+NH4"	16.019271
"497659"	808.427871	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H+NH4"	16.019271
"872181"	280.155471	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H+NH4"	16.019271
"44455"	549.247066	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H+Na"	20.974666
"476361"	813.383266	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H+Na"	20.974666
"860727"	285.110866	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H+Na"	20.974666
"1630634"	285.110866	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na-2H"	20.974666
"104609"	281.117263	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M-H+Cl"	33.962126
"543806"	413.185363	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M-H+Cl"	33.962126
"934404"	149.049163	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+Cl"	33.962126
"272230"	563.241802	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Cl"	34.969402
"668663"	827.378002	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+Cl"	34.969402
"1279975"	299.105602	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl"	34.969402
"19978"	565.221006	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M-2H+K"	36.948606
"463548"	829.357206	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M-2H+K"	36.948606
"839893"	301.084806	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-2H+K"	36.948606
"1566665"	301.084806	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+K-2H"	36.948606
"953452"	309.134394	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+HCOOH"	44.998194
"366928"	573.270601	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+HCOOH-H"	44.998201
"354460"	587.286251	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Hac-H"	59.013851
"1498919"	323.150051	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Hac-H"	59.013851
"966459"	331.116351	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+NaCOOH"	66.980151
"116094"	299.105602	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2Cl"	69.938804
"550915"	431.173702	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2Cl"	69.938804
"1022627"	167.037502	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2Cl"	69.938804
"1250961"	343.055085	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Br"	78.918885
"1314504"	345.111072	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl+HCOOH"	80.974872
"1327627"	367.093029	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl+NaCOOH"	102.956829
"924154"	377.121786	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M-H+CF3COOH"	112.985586
"1302319"	413.098464	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Cl+CF3COOH"	148.962264
"1379388"	229.123524	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H-2H2O"	-35.012676
"1393241"	247.1335	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H-H2O"	-17.0027
"290740"	529.279676	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H"	1.007276
"680973"	793.415876	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H"	1.007276
"1360604"	265.143476	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H"	1.007276
"128753"	265.143476	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2H"	2.014552
"573052"	397.211576	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2H"	2.014552
"1044038"	133.075376	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2H"	2.014552
"208661"	177.098076	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+3H"	3.021828
"646034"	265.143476	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+3H"	3.021828
"1167434"	89.052676	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+3H"	3.021828
"427426"	546.306223	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+NH4"	18.033823
"788423"	810.442423	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+NH4"	18.033823
"1682688"	282.170023	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+NH4"	18.033823
"331938"	273.6567495	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H+NH4"	19.041099
"725455"	405.7248495	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H+NH4"	19.041099
"1482559"	141.5886495	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+NH4"	19.041099
"400144"	551.261618	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Na"	22.989218
"760047"	815.397818	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+Na"	22.989218
"1607051"	287.125418	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na"	22.989218
"315143"	276.134447	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H+Na"	23.996494
"712795"	408.202547	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H+Na"	23.996494
"1465520"	144.066347	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+Na"	23.996494
"1066803"	96.37999	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2H+Na"	25.00377
"1268113"	297.169686	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+CH3OH+H"	33.033486
"391062"	567.235558	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+K"	38.963158
"750601"	831.371758	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+K"	38.963158
"1552656"	303.099358	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+K"	38.963158
"312019"	284.121417	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+H+K"	39.970434
"705899"	416.189517	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+H+K"	39.970434
"1458623"	152.053317	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+K"	39.970434
"249054"	570.306226	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+ACN+H"	42.033826
"1222856"	306.170026	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+ACN+H"	42.033826
"1207834"	153.588651	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+ACN+2H"	43.041102
"204156"	573.24356	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2Na-H"	44.97116
"642457"	837.37976	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2Na-H"	44.97116
"1146998"	309.10736	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2Na-H"	44.97116
"187309"	287.125418	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2Na"	45.978436
"627352"	419.193518	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2Na"	45.978436
"1129397"	155.057318	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2Na"	45.978436
"1411827"	103.707304	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+2Na"	46.985712
"1441755"	311.148946	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+HCOOH"	47.012746
"230356"	292.15844	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+3H2O+2H"	56.04448
"1520603"	325.20099	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+IsoProp+H"	61.06479
"421382"	295.112388	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+Na+K"	61.952376
"781285"	427.180488	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+Na+K"	61.952376
"1676523"	163.044288	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na+K"	61.952376
"259765"	592.288168	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+ACN+Na"	64.015768
"1234662"	328.151968	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+ACN+Na"	64.015768
"1724644"	328.175493	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+NH4+HCOOH"	64.039293
"1185623"	111.034618	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+3Na"	68.967654
"1654423"	333.130888	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na+HCOOH"	68.994688
"168938"	605.19144	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2K-H"	76.91904
"603031"	869.32764	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2K-H"	76.91904
"1097385"	341.05524	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2K-H"	76.91904
"149828"	303.099358	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"2M+2K"	77.926316
"589389"	435.167458	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"3M+2K"	77.926316
"1079369"	171.031258	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2K"	77.926316
"1103830"	343.069792	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2K+H"	78.933592
"1343497"	343.157407	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+DMSO+H"	79.021207
"1014214"	347.196576	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2ACN+H"	83.060376
"1529056"	348.190208	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+IsoProp+Na+H"	84.054008
"993320"	174.101926	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+2ACN+2H"	84.067652
"1591103"	349.104828	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+K+HCOOH"	84.968628
"1415670"	379.136338	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+H+CF3COOH"	115.000138
"1160174"	194.615201	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+3ACN+2H"	125.094202
"1709726"	396.162885	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+NH4+CF3COOH"	132.026685
"1641002"	401.11828	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+Na+CF3COOH"	136.98208
"1575562"	417.09222	"C20402"	"Neopentalenolactone D"	"C15H20O4"	"264.1362"	"M+K+CF3COOH"	152.95602
"814676"	250.1569	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M"	0
"982742"	231.13851	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"67710"	165.763990666667	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"511644"	249.149624	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"886164"	82.3783573333333	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"5833"	249.149624	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"442112"	374.228074	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"818822"	124.071174	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"86469"	499.306524	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"523843"	749.463424	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"901645"	249.149624	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"54927"	516.333071	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"497770"	766.489971	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"871198"	266.176171	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"42379"	521.288466	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"477563"	771.445366	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"858651"	271.131566	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1633176"	271.131566	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"106178"	267.137963	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"545738"	392.216413	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"934515"	142.059513	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"268452"	535.283202	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"665857"	785.440102	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1277532"	285.126302	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"17901"	537.262406	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"455713"	787.419306	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"833803"	287.105506	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1560940"	287.105506	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"946999"	295.155094	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"365214"	545.312001	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"348732"	559.327651	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1495743"	309.170751	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"963653"	317.137051	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"115475"	285.126302	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"552482"	410.204752	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1021390"	160.047852	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1249977"	329.075785	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1314250"	331.131772	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1331017"	353.113729	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"924628"	363.142486	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1302308"	399.119164	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1378405"	215.144224	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1390072"	233.1542	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"293766"	501.321076	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"682177"	751.477976	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1360714"	251.164176	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"128498"	251.164176	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"573162"	376.242626	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1041961"	126.085726	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"207678"	167.778542666667	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"645170"	251.164176	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1166451"	84.3929093333333	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"427534"	518.347623	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"789626"	768.504523	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1685956"	268.190723	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"334234"	259.6774495	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"726658"	384.7558995	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1483762"	134.5989995	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"399160"	523.303018	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"761249"	773.459918	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1608254"	273.146118	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"315495"	262.155147	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"708895"	387.233597	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1465627"	137.076697	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1067520"	91.7202233333333	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1268953"	283.190386	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"390080"	539.276958	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"751806"	789.433858	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1552401"	289.120058	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"312129"	270.142117	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"705281"	395.220567	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1457640"	145.063667	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"248071"	542.347626	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1222602"	292.190726	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1206849"	146.599001	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"204173"	545.28496	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"641838"	795.44186	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1145952"	295.12806	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"187419"	273.146118	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"626854"	398.224568	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1126957"	148.067668	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1407564"	99.0475373333333	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1441866"	297.169646	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"229371"	278.17914	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1518892"	311.22169	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"418213"	281.133088	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"779572"	406.211538	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1675905"	156.054638	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"256595"	564.329568	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1230398"	314.172668	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1724754"	314.196193	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1185733"	106.374851333333	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1654533"	319.151588	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"165768"	577.23284	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"603141"	827.38974	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1094215"	327.07594	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"149938"	289.120058	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"589499"	414.198508	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1077292"	164.041608	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1102847"	329.090492	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1343607"	329.178107	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1013231"	333.217276	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1529166"	334.210908	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"993430"	167.112276	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1591213"	335.125528	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1419060"	365.157038	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1159191"	187.625551	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1706556"	382.183585	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1641112"	387.13898	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1576765"	403.11292	"C20403"	"1-Deoxy-11beta-hydroxypentalenate"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"814786"	234.162	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M"	0
"986863"	215.14361	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-H2O-H"	-19.01839
"70006"	155.100724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M-3H"	-3.021828
"510660"	233.154724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M-3H"	-3.021828
"886274"	77.046724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-3H"	-3.021828
"5943"	233.154724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M-2H"	-2.014552
"441006"	350.235724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M-2H"	-2.014552
"818932"	116.073724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-2H"	-2.014552
"89859"	467.316724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M-H"	-1.007276
"527233"	701.478724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M-H"	-1.007276
"905035"	233.154724	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-H"	-1.007276
"52849"	484.343271	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M-2H+NH4"	16.019271
"496785"	718.505271	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M-2H+NH4"	16.019271
"877869"	250.181271	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-2H+NH4"	16.019271
"44676"	489.298666	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M-2H+Na"	20.974666
"475487"	723.460666	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M-2H+Na"	20.974666
"859854"	255.136666	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-2H+Na"	20.974666
"1633773"	255.136666	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Na-2H"	20.974666
"106288"	251.143063	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M-H+Cl"	33.962126
"545484"	368.224063	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M-H+Cl"	33.962126
"933531"	134.062063	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-H+Cl"	33.962126
"269534"	503.293402	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+Cl"	34.969402
"665967"	737.455402	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+Cl"	34.969402
"1279464"	269.131402	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Cl"	34.969402
"19833"	505.272606	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M-2H+K"	36.948606
"455809"	739.434606	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M-2H+K"	36.948606
"833669"	271.110606	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-2H+K"	36.948606
"1562872"	271.110606	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+K-2H"	36.948606
"947109"	279.160194	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-H+HCOOH"	44.998194
"365324"	513.322201	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+HCOOH-H"	44.998201
"348478"	527.337851	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+Hac-H"	59.013851
"1496582"	293.175851	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Hac-H"	59.013851
"962668"	301.142151	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-H+NaCOOH"	66.980151
"114491"	269.131402	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+2Cl"	69.938804
"552592"	386.212402	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+2Cl"	69.938804
"1021630"	152.050402	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2Cl"	69.938804
"1242307"	313.080885	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Br"	78.918885
"1316181"	315.136872	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Cl+HCOOH"	80.974872
"1329302"	337.118829	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Cl+NaCOOH"	102.956829
"917811"	347.147586	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M-H+CF3COOH"	112.985586
"1301080"	383.124264	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Cl+CF3COOH"	148.962264
"1381430"	199.149324	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H-2H2O"	-35.012676
"1396010"	217.1593	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H-H2O"	-17.0027
"296063"	469.331276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+H"	1.007276
"681558"	703.493276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+H"	1.007276
"1363740"	235.169276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H"	1.007276
"127515"	235.169276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+2H"	2.014552
"573272"	352.250276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+2H"	2.014552
"1039884"	118.088276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2H"	2.014552
"208881"	157.115276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+3H"	3.021828
"646254"	235.169276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+3H"	3.021828
"1164375"	79.061276	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+3H"	3.021828
"426551"	486.357823	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+NH4"	18.033823
"786090"	720.519823	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+NH4"	18.033823
"1683150"	252.195823	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+NH4"	18.033823
"331428"	243.6825495	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+H+NH4"	19.041099
"725675"	360.7635495	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+H+NH4"	19.041099
"1482779"	126.6015495	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H+NH4"	19.041099
"399270"	491.313218	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+Na"	22.989218
"759172"	725.475218	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+Na"	22.989218
"1608364"	257.151218	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Na"	22.989218
"315118"	246.160247	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+H+Na"	23.996494
"708637"	363.241247	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+H+Na"	23.996494
"1463551"	129.079247	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H+Na"	23.996494
"1064462"	86.38859	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2H+Na"	25.00377
"1270157"	267.195486	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+CH3OH+H"	33.033486
"390553"	507.287158	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+K"	38.963158
"752644"	741.449158	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+K"	38.963158
"1551051"	273.125158	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+K"	38.963158
"311508"	254.147217	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+H+K"	39.970434
"706118"	371.228217	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+H+K"	39.970434
"1456656"	137.066217	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H+K"	39.970434
"248182"	510.357826	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+ACN+H"	42.033826
"1222712"	276.195826	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+ACN+H"	42.033826
"1208054"	138.601551	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+ACN+2H"	43.041102
"203808"	513.29516	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+2Na-H"	44.97116
"643163"	747.45716	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+2Na-H"	44.97116
"1145576"	279.13316	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2Na-H"	44.97116
"187407"	257.151218	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+2Na"	45.978436
"626478"	374.232218	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+2Na"	45.978436
"1129618"	140.070218	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2Na"	45.978436
"1410589"	93.715904	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H+2Na"	46.985712
"1441611"	281.174746	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H+HCOOH"	47.012746
"230210"	262.18424	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+3H2O+2H"	56.04448
"1521189"	295.22679	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+IsoProp+H"	61.06479
"420510"	265.138188	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+Na+K"	61.952376
"779683"	382.219188	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+Na+K"	61.952376
"1677108"	148.057188	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Na+K"	61.952376
"257798"	532.339768	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+ACN+Na"	64.015768
"1229414"	298.177768	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+ACN+Na"	64.015768
"1725957"	298.201293	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+NH4+HCOOH"	64.039293
"1182563"	101.043218	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+3Na"	68.967654
"1654643"	303.156688	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Na+HCOOH"	68.994688
"165878"	545.24304	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+2K-H"	76.91904
"603251"	779.40504	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+2K-H"	76.91904
"1094325"	311.08104	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2K-H"	76.91904
"148955"	273.125158	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"2M+2K"	77.926316
"589609"	390.206158	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"3M+2K"	77.926316
"1077402"	156.044158	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2K"	77.926316
"1104050"	313.095592	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2K+H"	78.933592
"1344811"	313.183207	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+DMSO+H"	79.021207
"1016621"	317.222376	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2ACN+H"	83.060376
"1530372"	318.216008	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+IsoProp+Na+H"	84.054008
"1003380"	159.114826	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+2ACN+2H"	84.067652
"1591323"	319.130628	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+K+HCOOH"	84.968628
"1419170"	349.162138	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+H+CF3COOH"	115.000138
"1159301"	179.628101	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+3ACN+2H"	125.094202
"1709946"	366.188685	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+NH4+CF3COOH"	132.026685
"1641222"	371.14408	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+Na+CF3COOH"	136.98208
"1576875"	387.11802	"C20404"	"1-Deoxypentalenate"	"C15H22O2"	"234.162"	"M+K+CF3COOH"	152.95602
"814896"	250.1569	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M"	0
"986245"	231.13851	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-H2O-H"	-19.01839
"73397"	165.763990666667	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M-3H"	-3.021828
"514051"	249.149624	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M-3H"	-3.021828
"888572"	82.3783573333333	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-3H"	-3.021828
"6054"	249.149624	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M-2H"	-2.014552
"442334"	374.228074	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M-2H"	-2.014552
"819042"	124.071174	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-2H"	-2.014552
"85596"	499.306524	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M-H"	-1.007276
"526250"	749.463424	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M-H"	-1.007276
"904052"	249.149624	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-H"	-1.007276
"49679"	516.333071	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M-2H+NH4"	16.019271
"496895"	766.489971	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M-2H+NH4"	16.019271
"872511"	266.176171	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-2H+NH4"	16.019271
"42599"	521.288466	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M-2H+Na"	20.974666
"472680"	771.445366	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M-2H+Na"	20.974666
"859964"	271.131566	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-2H+Na"	20.974666
"1631324"	271.131566	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Na-2H"	20.974666
"100565"	267.137963	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M-H+Cl"	33.962126
"546686"	392.216413	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M-H+Cl"	33.962126
"933641"	142.059513	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-H+Cl"	33.962126
"272196"	535.283202	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+Cl"	34.969402
"666805"	785.440102	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+Cl"	34.969402
"1275928"	285.126302	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Cl"	34.969402
"22130"	537.262406	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M-2H+K"	36.948606
"460962"	787.419306	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M-2H+K"	36.948606
"833048"	287.105506	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-2H+K"	36.948606
"1562618"	287.105506	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+K-2H"	36.948606
"947583"	295.155094	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-H+HCOOH"	44.998194
"365434"	545.312001	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+HCOOH-H"	44.998201
"349682"	559.327651	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+Hac-H"	59.013851
"1496692"	309.170751	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Hac-H"	59.013851
"962778"	317.137051	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-H+NaCOOH"	66.980151
"117517"	285.126302	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+2Cl"	69.938804
"553067"	410.204752	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+2Cl"	69.938804
"1022104"	160.047852	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2Cl"	69.938804
"1241484"	329.075785	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Br"	78.918885
"1311552"	331.131772	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Cl+HCOOH"	80.974872
"1322486"	353.113729	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Cl+NaCOOH"	102.956829
"920107"	363.142486	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M-H+CF3COOH"	112.985586
"1295723"	399.119164	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Cl+CF3COOH"	148.962264
"1380082"	215.144224	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H-2H2O"	-35.012676
"1392840"	233.1542	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H-H2O"	-17.0027
"293986"	501.321076	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+H"	1.007276
"679117"	751.477976	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+H"	1.007276
"1360934"	251.164176	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H"	1.007276
"132731"	251.164176	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+2H"	2.014552
"570102"	376.242626	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+2H"	2.014552
"1039265"	126.085726	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2H"	2.014552
"208991"	167.778542666667	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+3H"	3.021828
"644904"	251.164176	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+3H"	3.021828
"1164485"	84.3929093333333	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+3H"	3.021828
"426663"	518.347623	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+NH4"	18.033823
"785999"	768.504523	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+NH4"	18.033823
"1682166"	268.190723	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+NH4"	18.033823
"330445"	259.6774495	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+H+NH4"	19.041099
"724692"	384.7558995	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+H+NH4"	19.041099
"1482887"	134.5989995	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H+NH4"	19.041099
"398287"	523.303018	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+Na"	22.989218
"759283"	773.459918	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+Na"	22.989218
"1605196"	273.146118	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Na"	22.989218
"314985"	262.155147	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+H+Na"	23.996494
"708747"	387.233597	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+H+Na"	23.996494
"1464753"	137.076697	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H+Na"	23.996494
"1064572"	91.7202233333333	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2H+Na"	25.00377
"1269903"	283.190386	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+CH3OH+H"	33.033486
"388840"	539.276958	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+K"	38.963158
"752025"	789.433858	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+K"	38.963158
"1551161"	289.120058	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+K"	38.963158
"311254"	270.142117	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+H+K"	39.970434
"706796"	395.220567	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+H+K"	39.970434
"1456766"	145.063667	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H+K"	39.970434
"249753"	542.347626	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+ACN+H"	42.033826
"1223917"	292.190726	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+ACN+H"	42.033826
"1208529"	146.599001	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+ACN+2H"	43.041102
"203632"	545.28496	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+2Na-H"	44.97116
"642786"	795.44186	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+2Na-H"	44.97116
"1145321"	295.12806	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2Na-H"	44.97116
"187151"	273.146118	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+2Na"	45.978436
"626588"	398.224568	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+2Na"	45.978436
"1129364"	148.067668	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2Na"	45.978436
"1409969"	99.0475373333333	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H+2Na"	46.985712
"1442816"	297.169646	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H+HCOOH"	47.012746
"231777"	278.17914	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+3H2O+2H"	56.04448
"1515467"	311.22169	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+IsoProp+H"	61.06479
"422077"	281.133088	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+Na+K"	61.952376
"781250"	406.211538	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+Na+K"	61.952376
"1675758"	156.054638	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Na+K"	61.952376
"260094"	564.329568	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+ACN+Na"	64.015768
"1232803"	314.172668	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+ACN+Na"	64.015768
"1726067"	314.196193	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+NH4+HCOOH"	64.039293
"1188141"	106.374851333333	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+3Na"	68.967654
"1658033"	319.151588	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Na+HCOOH"	68.994688
"165988"	577.23284	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+2K-H"	76.91904
"603361"	827.38974	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+2K-H"	76.91904
"1092248"	327.07594	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2K-H"	76.91904
"152346"	289.120058	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"2M+2K"	77.926316
"589719"	414.198508	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"3M+2K"	77.926316
"1074232"	164.041608	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2K"	77.926316
"1105253"	329.090492	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2K+H"	78.933592
"1341640"	329.178107	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+DMSO+H"	79.021207
"1017824"	333.217276	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2ACN+H"	83.060376
"1530482"	334.210908	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+IsoProp+Na+H"	84.054008
"996930"	167.112276	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+2ACN+2H"	84.067652
"1590338"	335.125528	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+K+HCOOH"	84.968628
"1422559"	365.157038	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+H+CF3COOH"	115.000138
"1159409"	187.625551	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+3ACN+2H"	125.094202
"1706775"	382.183585	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+NH4+CF3COOH"	132.026685
"1641332"	387.13898	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+Na+CF3COOH"	136.98208
"1575892"	403.11292	"C20405"	"Pentalenate"	"C15H22O3"	"250.1569"	"M+K+CF3COOH"	152.95602
"816099"	360.2301	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M"	0
"985260"	341.21171	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-H2O-H"	-19.01839
"68040"	239.146124	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M-3H"	-3.021828
"509787"	359.222824	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M-3H"	-3.021828
"888682"	119.069424	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-3H"	-3.021828
"7259"	359.222824	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M-2H"	-2.014552
"450101"	539.337874	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M-2H"	-2.014552
"820244"	179.107774	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-2H"	-2.014552
"83518"	719.452924	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M-H"	-1.007276
"523079"	1079.683024	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M-H"	-1.007276
"899789"	359.222824	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-H"	-1.007276
"49789"	736.479471	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M-2H+NH4"	16.019271
"494819"	1096.709571	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M-2H+NH4"	16.019271
"872622"	376.249371	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-2H+NH4"	16.019271
"41615"	741.434866	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M-2H+Na"	20.974666
"472426"	1101.664966	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M-2H+Na"	20.974666
"849257"	381.204766	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-2H+Na"	20.974666
"1633256"	381.204766	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Na-2H"	20.974666
"102861"	377.211163	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M-H+Cl"	33.962126
"542422"	557.326213	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M-H+Cl"	33.962126
"932656"	197.096113	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-H+Cl"	33.962126
"270483"	755.429602	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+Cl"	34.969402
"668008"	1115.659702	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+Cl"	34.969402
"1276038"	395.199502	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Cl"	34.969402
"22969"	757.408806	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M-2H+K"	36.948606
"461437"	1117.638906	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M-2H+K"	36.948606
"832953"	397.178706	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-2H+K"	36.948606
"1561636"	397.178706	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+K-2H"	36.948606
"946601"	405.228294	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-H+HCOOH"	44.998194
"365180"	765.458401	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+HCOOH-H"	44.998201
"349428"	779.474051	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+Hac-H"	59.013851
"1495710"	419.243951	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Hac-H"	59.013851
"961432"	427.210251	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-H+NaCOOH"	66.980151
"116899"	395.199502	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+2Cl"	69.938804
"553906"	575.314552	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+2Cl"	69.938804
"1023066"	215.084452	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2Cl"	69.938804
"1241440"	439.148985	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Br"	78.918885
"1310568"	441.204972	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Cl+HCOOH"	80.974872
"1322597"	463.186929	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Cl+NaCOOH"	102.956829
"914749"	473.215686	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M-H+CF3COOH"	112.985586
"1293645"	509.192364	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Cl+CF3COOH"	148.962264
"1370714"	325.217424	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H-2H2O"	-35.012676
"1390399"	343.2274	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H-H2O"	-17.0027
"290450"	721.467476	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+H"	1.007276
"679224"	1081.697576	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+H"	1.007276
"1361044"	361.237376	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H"	1.007276
"126279"	361.237376	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+2H"	2.014552
"566567"	541.352426	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+2H"	2.014552
"1042291"	181.122326	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2H"	2.014552
"206913"	241.160676	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+3H"	3.021828
"648661"	361.237376	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+3H"	3.021828
"1166780"	121.083976	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+3H"	3.021828
"425680"	738.494023	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+NH4"	18.033823
"787769"	1098.724123	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+NH4"	18.033823
"1683735"	378.263923	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+NH4"	18.033823
"330555"	369.7506495	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+H+NH4"	19.041099
"725164"	549.8656995	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+H+NH4"	19.041099
"1480810"	189.6355995	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H+NH4"	19.041099
"394386"	743.449418	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+Na"	22.989218
"757208"	1103.679518	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+Na"	22.989218
"1604210"	383.219318	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Na"	22.989218
"315701"	372.228347	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+H+Na"	23.996494
"707106"	552.343397	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+H+Na"	23.996494
"1464865"	192.113297	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H+Na"	23.996494
"1065775"	128.41129	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2H+Na"	25.00377
"1267454"	393.263586	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+CH3OH+H"	33.033486
"388215"	759.423358	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+K"	38.963158
"743748"	1119.653458	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+K"	38.963158
"1551271"	399.193258	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+K"	38.963158
"312821"	380.215317	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+H+K"	39.970434
"706702"	560.330367	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+H+K"	39.970434
"1456876"	200.100267	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H+K"	39.970434
"250105"	762.494026	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+ACN+H"	42.033826
"1225122"	402.263926	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+ACN+H"	42.033826
"1209805"	201.635601	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+ACN+2H"	43.041102
"203702"	765.43136	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+2Na-H"	44.97116
"643261"	1125.66146	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+2Na-H"	44.97116
"1146649"	405.20126	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2Na-H"	44.97116
"187991"	383.219318	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+2Na"	45.978436
"628313"	563.334368	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+2Na"	45.978436
"1130567"	203.104268	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2Na"	45.978436
"1410808"	135.738604	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H+2Na"	46.985712
"1443289"	407.242846	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H+HCOOH"	47.012746
"232981"	388.25234	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+3H2O+2H"	56.04448
"1516670"	421.29489	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+IsoProp+H"	61.06479
"421822"	391.206288	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+Na+K"	61.952376
"781726"	571.321338	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+Na+K"	61.952376
"1674775"	211.091238	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Na+K"	61.952376
"260204"	784.475968	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+ACN+Na"	64.015768
"1232913"	424.245868	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+ACN+Na"	64.015768
"1719616"	424.269393	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+NH4+HCOOH"	64.039293
"1182783"	143.065918	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+3Na"	68.967654
"1658143"	429.224788	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Na+HCOOH"	68.994688
"166098"	797.37924	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+2K-H"	76.91904
"603471"	1157.60934	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+2K-H"	76.91904
"1089077"	437.14914	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2K-H"	76.91904
"149175"	399.193258	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"2M+2K"	77.926316
"593110"	579.308308	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"3M+2K"	77.926316
"1069723"	219.078208	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2K"	77.926316
"1102447"	439.163692	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2K+H"	78.933592
"1343936"	439.251307	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+DMSO+H"	79.021207
"1017934"	443.290476	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2ACN+H"	83.060376
"1527312"	444.284108	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+IsoProp+Na+H"	84.054008
"997040"	222.148876	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+2ACN+2H"	84.067652
"1594822"	445.198728	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+K+HCOOH"	84.968628
"1422669"	475.230238	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+H+CF3COOH"	115.000138
"1158426"	242.662151	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+3ACN+2H"	125.094202
"1707979"	492.256785	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+NH4+CF3COOH"	132.026685
"1634881"	497.21218	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+Na+CF3COOH"	136.98208
"1576002"	513.18612	"C20406"	"Cannabigerolate;CBGA"	"C22H32O4"	"360.2301"	"M+K+CF3COOH"	152.95602
"815116"	276.0998	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M"	0
"987922"	257.08141	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-H2O-H"	-19.01839
"69243"	183.059257333333	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M-3H"	-3.021828
"508804"	275.092524	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M-3H"	-3.021828
"887699"	91.0259906666667	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-3H"	-3.021828
"2996"	275.092524	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M-2H"	-2.014552
"448025"	413.142424	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M-2H"	-2.014552
"818168"	137.042624	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-2H"	-2.014552
"79256"	551.192324	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M-H"	-1.007276
"519179"	827.292124	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M-H"	-1.007276
"897713"	275.092524	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-H"	-1.007276
"49899"	568.218871	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M-2H+NH4"	16.019271
"492743"	844.318671	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M-2H+NH4"	16.019271
"873098"	292.119071	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-2H+NH4"	16.019271
"40632"	573.174266	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M-2H+Na"	20.974666
"472657"	849.274066	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M-2H+Na"	20.974666
"848670"	297.074466	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-2H+Na"	20.974666
"1622064"	297.074466	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Na-2H"	20.974666
"101873"	293.080863	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M-H+Cl"	33.962126
"539246"	431.130763	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M-H+Cl"	33.962126
"929119"	155.030963	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-H+Cl"	33.962126
"267308"	587.169002	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+Cl"	34.969402
"663015"	863.268802	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+Cl"	34.969402
"1272757"	311.069202	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Cl"	34.969402
"17975"	589.148206	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M-2H+K"	36.948606
"456805"	865.248006	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M-2H+K"	36.948606
"832822"	313.048406	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-2H+K"	36.948606
"1558827"	313.048406	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+K-2H"	36.948606
"946347"	321.097994	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-H+HCOOH"	44.998194
"362374"	597.197801	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+HCOOH-H"	44.998201
"346865"	611.213451	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+Hac-H"	59.013851
"1495092"	335.113651	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Hac-H"	59.013851
"961542"	343.079951	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-H+NaCOOH"	66.980151
"115916"	311.069202	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+2Cl"	69.938804
"553652"	449.119102	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+2Cl"	69.938804
"1022448"	173.019302	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2Cl"	69.938804
"1241387"	355.018685	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Br"	78.918885
"1310678"	357.074672	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Cl+HCOOH"	80.974872
"1324894"	379.056629	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Cl+NaCOOH"	102.956829
"917046"	389.085386	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M-H+CF3COOH"	112.985586
"1293755"	425.062064	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Cl+CF3COOH"	148.962264
"1371917"	241.087124	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H-2H2O"	-35.012676
"1390509"	259.0971	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H-H2O"	-17.0027
"291288"	553.206876	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+H"	1.007276
"679334"	829.306676	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+H"	1.007276
"1357874"	277.107076	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H"	1.007276
"127846"	277.107076	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+2H"	2.014552
"566110"	415.156976	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+2H"	2.014552
"1042401"	139.057176	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2H"	2.014552
"208116"	185.073809333333	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+3H"	3.021828
"647678"	277.107076	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+3H"	3.021828
"1165803"	93.0405426666667	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+3H"	3.021828
"427977"	570.233423	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+NH4"	18.033823
"790066"	846.333223	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+NH4"	18.033823
"1686396"	294.133623	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+NH4"	18.033823
"333945"	285.6203495	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+H+NH4"	19.041099
"730374"	423.6702495	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+H+NH4"	19.041099
"1479827"	147.5704495	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H+NH4"	19.041099
"395225"	575.188818	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+Na"	22.989218
"757318"	851.288618	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+Na"	22.989218
"1604683"	299.089018	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Na"	22.989218
"317634"	288.098047	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+H+Na"	23.996494
"708232"	426.147947	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+H+Na"	23.996494
"1464973"	150.048147	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H+Na"	23.996494
"1060418"	100.367856666667	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2H+Na"	25.00377
"1266470"	309.133286	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+CH3OH+H"	33.033486
"382859"	591.162758	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+K"	38.963158
"744215"	867.262558	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+K"	38.963158
"1542987"	315.062958	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+K"	38.963158
"300526"	296.085017	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+H+K"	39.970434
"694404"	434.134917	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+H+K"	39.970434
"1452613"	158.035117	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H+K"	39.970434
"250824"	594.233426	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+ACN+H"	42.033826
"1225315"	318.133626	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+ACN+H"	42.033826
"1209835"	159.570451	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+ACN+2H"	43.041102
"204097"	597.17076	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+2Na-H"	44.97116
"644160"	873.27056	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+2Na-H"	44.97116
"1146882"	321.07096	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2Na-H"	44.97116
"187978"	299.089018	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+2Na"	45.978436
"626686"	437.138918	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+2Na"	45.978436
"1128854"	161.039118	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2Na"	45.978436
"1410918"	107.695170666667	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H+2Na"	46.985712
"1443035"	323.112546	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H+HCOOH"	47.012746
"230904"	304.12204	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+3H2O+2H"	56.04448
"1516780"	337.16459	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+IsoProp+H"	61.06479
"421568"	307.075988	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+Na+K"	61.952376
"780377"	445.125888	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+Na+K"	61.952376
"1674885"	169.026088	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Na+K"	61.952376
"258127"	616.215368	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+ACN+Na"	64.015768
"1228283"	340.115568	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+ACN+Na"	64.015768
"1716444"	340.139093	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+NH4+HCOOH"	64.039293
"1181799"	115.022484666667	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+3Na"	68.967654
"1650637"	345.094488	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Na+HCOOH"	68.994688
"158551"	629.11864	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+2K-H"	76.91904
"599206"	905.21844	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+2K-H"	76.91904
"1091374"	353.01884	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2K-H"	76.91904
"143085"	315.062958	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"2M+2K"	77.926316
"592127"	453.112858	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"3M+2K"	77.926316
"1069712"	177.013058	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2K"	77.926316
"1101828"	355.033392	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2K+H"	78.933592
"1341859"	355.121007	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+DMSO+H"	79.021207
"1014764"	359.160176	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2ACN+H"	83.060376
"1527422"	360.153808	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+IsoProp+Na+H"	84.054008
"998244"	180.083726	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+2ACN+2H"	84.067652
"1594932"	361.068428	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+K+HCOOH"	84.968628
"1419499"	391.099938	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+H+CF3COOH"	115.000138
"1158536"	200.597001	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+3ACN+2H"	125.094202
"1705902"	408.126485	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+NH4+CF3COOH"	132.026685
"1634378"	413.08188	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+Na+CF3COOH"	136.98208
"1576112"	429.05582	"C20407"	"Pentalenolactone;Arenaemycin E"	"C15H16O5"	"276.0998"	"M+K+CF3COOH"	152.95602
"814133"	240.1626	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M"	0
"988399"	221.14421	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-H2O-H"	-19.01839
"67167"	159.101124	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M-3H"	-3.021828
"513288"	239.155324	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M-3H"	-3.021828
"891089"	79.046924	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-3H"	-3.021828
"8574"	239.155324	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M-2H"	-2.014552
"450322"	359.236624	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M-2H"	-2.014552
"825936"	119.074024	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-2H"	-2.014552
"84834"	479.317924	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M-H"	-1.007276
"523301"	719.480524	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M-H"	-1.007276
"898916"	239.155324	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-H"	-1.007276
"48917"	496.344471	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M-2H+NH4"	16.019271
"497956"	736.507071	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M-2H+NH4"	16.019271
"878311"	256.181871	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-2H+NH4"	16.019271
"40743"	501.299866	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M-2H+Na"	20.974666
"479210"	741.462466	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M-2H+Na"	20.974666
"850451"	261.137266	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-2H+Na"	20.974666
"1622174"	261.137266	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Na-2H"	20.974666
"105263"	257.143663	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M-H+Cl"	33.962126
"539356"	377.224963	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M-H+Cl"	33.962126
"927234"	137.062363	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-H+Cl"	33.962126
"267292"	515.294602	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+Cl"	34.969402
"659984"	755.457202	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+Cl"	34.969402
"1272922"	275.132002	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Cl"	34.969402
"17720"	517.273806	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M-2H+K"	36.948606
"456303"	757.436406	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M-2H+K"	36.948606
"832969"	277.111206	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-2H+K"	36.948606
"1558207"	277.111206	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+K-2H"	36.948606
"945726"	285.160794	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-H+HCOOH"	44.998194
"361790"	525.323401	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+HCOOH-H"	44.998201
"347460"	539.339051	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+Hac-H"	59.013851
"1493011"	299.176451	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Hac-H"	59.013851
"962745"	307.142751	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-H+NaCOOH"	66.980151
"117119"	275.132002	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+2Cl"	69.938804
"555584"	395.213302	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+2Cl"	69.938804
"1021830"	155.050702	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2Cl"	69.938804
"1241774"	319.081485	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Br"	78.918885
"1307872"	321.137472	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Cl+HCOOH"	80.974872
"1323911"	343.119429	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Cl+NaCOOH"	102.956829
"914970"	353.148186	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M-H+CF3COOH"	112.985586
"1291679"	389.124864	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Cl+CF3COOH"	148.962264
"1372027"	205.149924	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H-2H2O"	-35.012676
"1387339"	223.1599	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H-H2O"	-17.0027
"291398"	481.332476	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+H"	1.007276
"677256"	721.495076	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+H"	1.007276
"1357984"	241.169876	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H"	1.007276
"127713"	241.169876	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+2H"	2.014552
"566178"	361.251176	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+2H"	2.014552
"1042511"	121.088576	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2H"	2.014552
"210414"	161.115676	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+3H"	3.021828
"648882"	241.169876	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+3H"	3.021828
"1162856"	81.061476	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+3H"	3.021828
"426999"	498.359023	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+NH4"	18.033823
"787992"	738.521623	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+NH4"	18.033823
"1685415"	258.196423	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+NH4"	18.033823
"334784"	249.6831495	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+H+NH4"	19.041099
"728298"	369.7644495	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+H+NH4"	19.041099
"1478843"	129.6018495	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H+NH4"	19.041099
"395335"	503.314418	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+Na"	22.989218
"759614"	743.477018	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+Na"	22.989218
"1604794"	263.151818	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Na"	22.989218
"315926"	252.160847	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+H+Na"	23.996494
"708102"	372.242147	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+H+Na"	23.996494
"1465084"	132.079547	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H+Na"	23.996494
"1061622"	88.38879	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2H+Na"	25.00377
"1265487"	273.196086	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+CH3OH+H"	33.033486
"384063"	519.288358	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+K"	38.963158
"746150"	759.450958	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+K"	38.963158
"1546016"	279.125758	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+K"	38.963158
"299545"	260.147817	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+H+K"	39.970434
"692331"	380.229117	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+H+K"	39.970434
"1445736"	140.066517	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H+K"	39.970434
"250082"	522.359026	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+ACN+H"	42.033826
"1224978"	282.196426	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+ACN+H"	42.033826
"1209712"	141.601851	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+ACN+2H"	43.041102
"203311"	525.29636	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+2Na-H"	44.97116
"644008"	765.45896	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+2Na-H"	44.97116
"1146013"	285.13376	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2Na-H"	44.97116
"187723"	263.151818	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+2Na"	45.978436
"628013"	383.233118	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+2Na"	45.978436
"1128480"	143.070518	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2Na"	45.978436
"1410300"	95.716104	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H+2Na"	46.985712
"1440228"	287.175346	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H+HCOOH"	47.012746
"235277"	268.18484	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+3H2O+2H"	56.04448
"1521631"	301.22739	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+IsoProp+H"	61.06479
"423872"	271.138788	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+Na+K"	61.952376
"783770"	391.220088	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+Na+K"	61.952376
"1677911"	151.057488	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Na+K"	61.952376
"264070"	544.340968	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+ACN+Na"	64.015768
"1230948"	304.178368	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+ACN+Na"	64.015768
"1716555"	304.201893	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+NH4+HCOOH"	64.039293
"1183002"	103.043418	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+3Na"	68.967654
"1664561"	309.157288	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Na+HCOOH"	68.994688
"171666"	557.24424	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+2K-H"	76.91904
"609889"	797.40684	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+2K-H"	76.91904
"1091484"	317.08164	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2K-H"	76.91904
"150489"	279.125758	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"2M+2K"	77.926316
"591144"	399.207058	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"3M+2K"	77.926316
"1074562"	159.044458	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2K"	77.926316
"1111052"	319.096192	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2K+H"	78.933592
"1341969"	319.183807	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+DMSO+H"	79.021207
"1018154"	323.222976	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2ACN+H"	83.060376
"1534093"	324.216608	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+IsoProp+Na+H"	84.054008
"997260"	162.115126	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+2ACN+2H"	84.067652
"1597229"	325.131228	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+K+HCOOH"	84.968628
"1419609"	355.162738	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+H+CF3COOH"	115.000138
"1158646"	182.628401	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+3ACN+2H"	125.094202
"1707105"	372.189285	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+NH4+CF3COOH"	132.026685
"1634324"	377.14468	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+Na+CF3COOH"	136.98208
"1586063"	393.11862	"C20408"	"Festuclavine;68-beta-Dimethylergoline"	"C16H20N2"	"240.1626"	"M+K+CF3COOH"	152.95602
"815336"	239.1548	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M"	0
"988870"	220.13641	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-H2O-H"	-19.01839
"73837"	158.429257333333	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M-3H"	-3.021828
"512304"	238.147524	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M-3H"	-3.021828
"891199"	78.7109906666667	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-3H"	-3.021828
"9778"	238.147524	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M-2H"	-2.014552
"450432"	357.724924	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M-2H"	-2.014552
"824954"	118.570124	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-2H"	-2.014552
"87133"	477.302324	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M-H"	-1.007276
"522318"	716.457124	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M-H"	-1.007276
"897933"	238.147524	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-H"	-1.007276
"49269"	494.328871	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M-2H+NH4"	16.019271
"498430"	733.483671	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M-2H+NH4"	16.019271
"878788"	255.174071	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-2H+NH4"	16.019271
"43770"	499.284266	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M-2H+Na"	20.974666
"479320"	738.439066	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M-2H+Na"	20.974666
"852748"	260.129466	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-2H+Na"	20.974666
"1628845"	260.129466	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Na-2H"	20.974666
"102093"	256.135863	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M-H+Cl"	33.962126
"536186"	375.713263	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M-H+Cl"	33.962126
"927670"	136.558463	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-H+Cl"	33.962126
"267767"	513.279002	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+Cl"	34.969402
"660922"	752.433802	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+Cl"	34.969402
"1274179"	274.124202	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Cl"	34.969402
"18194"	515.258206	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M-2H+K"	36.948606
"456170"	754.413006	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M-2H+K"	36.948606
"833733"	276.103406	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-2H+K"	36.948606
"1558317"	276.103406	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+K-2H"	36.948606
"945108"	284.152994	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-H+HCOOH"	44.998194
"362952"	523.307801	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+HCOOH-H"	44.998201
"347570"	537.323451	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+Hac-H"	59.013851
"1495310"	298.168651	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Hac-H"	59.013851
"961395"	306.134951	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-H+NaCOOH"	66.980151
"113952"	274.124202	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+2Cl"	69.938804
"553872"	393.701602	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+2Cl"	69.938804
"1023764"	154.546802	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2Cl"	69.938804
"1242612"	318.073685	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Br"	78.918885
"1308346"	320.129672	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Cl+HCOOH"	80.974872
"1324749"	342.111629	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Cl+NaCOOH"	102.956829
"913620"	352.140386	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M-H+CF3COOH"	112.985586
"1292153"	388.117064	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Cl+CF3COOH"	148.962264
"1374324"	204.142124	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H-2H2O"	-35.012676
"1387449"	222.1521	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H-H2O"	-17.0027
"288228"	479.316876	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+H"	1.007276
"678094"	718.471676	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+H"	1.007276
"1355906"	240.162076	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H"	1.007276
"130983"	240.162076	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+2H"	2.014552
"570544"	359.739476	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+2H"	2.014552
"1039341"	120.584676	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2H"	2.014552
"210524"	160.443809333333	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+3H"	3.021828
"648992"	240.162076	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+3H"	3.021828
"1169305"	80.7255426666667	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+3H"	3.021828
"425163"	496.343423	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+NH4"	18.033823
"791383"	735.498223	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+NH4"	18.033823
"1687711"	257.188623	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+NH4"	18.033823
"333801"	248.6753495	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+H+NH4"	19.041099
"725860"	368.2527495	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+H+NH4"	19.041099
"1478953"	129.0979495	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H+NH4"	19.041099
"393379"	501.298818	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+Na"	22.989218
"760818"	740.453618	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+Na"	22.989218
"1605634"	262.144018	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Na"	22.989218
"320046"	251.153047	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+H+Na"	23.996494
"712468"	370.730447	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+H+Na"	23.996494
"1463738"	131.575647	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H+Na"	23.996494
"1061732"	88.0528566666667	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2H+Na"	25.00377
"1267786"	272.188286	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+CH3OH+H"	33.033486
"388548"	517.272758	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+K"	38.963158
"746262"	756.427558	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+K"	38.963158
"1548314"	278.117958	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+K"	38.963158
"306583"	259.140017	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+H+K"	39.970434
"692439"	378.717417	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+H+K"	39.970434
"1447359"	139.562617	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H+K"	39.970434
"249826"	520.343426	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+ACN+H"	42.033826
"1223995"	281.188626	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+ACN+H"	42.033826
"1208980"	141.097951	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+ACN+2H"	43.041102
"203546"	523.28076	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+2Na-H"	44.97116
"643228"	762.43556	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+2Na-H"	44.97116
"1145644"	284.12596	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2Na-H"	44.97116
"187476"	262.144018	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+2Na"	45.978436
"627274"	381.721418	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+2Na"	45.978436
"1130170"	142.566618	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2Na"	45.978436
"1412112"	95.3801706666667	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H+2Na"	46.985712
"1442890"	286.167546	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H+HCOOH"	47.012746
"234659"	267.17704	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+3H2O+2H"	56.04448
"1521377"	300.21959	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+IsoProp+H"	61.06479
"422886"	270.130988	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+Na+K"	61.952376
"781692"	389.708388	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+Na+K"	61.952376
"1677657"	150.553588	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Na+K"	61.952376
"264544"	542.325368	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+ACN+Na"	64.015768
"1232151"	303.170568	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+ACN+Na"	64.015768
"1717758"	303.194093	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+NH4+HCOOH"	64.039293
"1182018"	102.707484666667	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+3Na"	68.967654
"1658473"	308.149488	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Na+HCOOH"	68.994688
"166428"	555.22864	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+2K-H"	76.91904
"610732"	794.38344	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+2K-H"	76.91904
"1091594"	316.07384	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2K-H"	76.91904
"146225"	278.117958	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"2M+2K"	77.926316
"593441"	397.695358	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"3M+2K"	77.926316
"1074672"	158.540558	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2K"	77.926316
"1108975"	318.088392	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2K+H"	78.933592
"1339892"	318.176007	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+DMSO+H"	79.021207
"1017171"	322.215176	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2ACN+H"	83.060376
"1536390"	323.208808	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+IsoProp+Na+H"	84.054008
"997370"	161.611226	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+2ACN+2H"	84.067652
"1598432"	324.123428	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+K+HCOOH"	84.968628
"1419719"	354.154938	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+H+CF3COOH"	115.000138
"1156569"	182.124501	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+3ACN+2H"	125.094202
"1707216"	371.181485	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+NH4+CF3COOH"	132.026685
"1635211"	376.13688	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+Na+CF3COOH"	136.98208
"1586173"	392.11082	"C20409"	"68-Dimethyl-67-didehydroergoline"	"C16H19N2"	"239.1548"	"M+K+CF3COOH"	152.95602
"815446"	286.1681	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M"	0
"982419"	267.14971	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-H2O-H"	-19.01839
"72854"	189.771457333333	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M-3H"	-3.021828
"508041"	285.160824	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M-3H"	-3.021828
"888029"	94.3820906666667	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-3H"	-3.021828
"8793"	285.160824	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M-2H"	-2.014552
"450542"	428.244874	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M-2H"	-2.014552
"825064"	142.076774	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-2H"	-2.014552
"87243"	571.328924	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M-H"	-1.007276
"522428"	857.497024	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M-H"	-1.007276
"899136"	285.160824	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-H"	-1.007276
"50230"	588.355471	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M-2H+NH4"	16.019271
"499633"	874.523571	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M-2H+NH4"	16.019271
"876344"	302.187371	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-2H+NH4"	16.019271
"44611"	593.310866	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M-2H+Na"	20.974666
"484533"	879.478966	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M-2H+Na"	20.974666
"858325"	307.142766	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-2H+Na"	20.974666
"1622395"	307.142766	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Na-2H"	20.974666
"101110"	303.149163	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M-H+Cl"	33.962126
"536417"	446.233213	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M-H+Cl"	33.962126
"927621"	160.065113	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-H+Cl"	33.962126
"268117"	607.305602	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+Cl"	34.969402
"661274"	893.473702	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+Cl"	34.969402
"1276477"	321.137502	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Cl"	34.969402
"17940"	609.284806	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M-2H+K"	36.948606
"457135"	895.452906	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M-2H+K"	36.948606
"833396"	323.116706	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-2H+K"	36.948606
"1558426"	323.116706	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+K-2H"	36.948606
"945945"	331.166294	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-H+HCOOH"	44.998194
"363789"	617.334401	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+HCOOH-H"	44.998201
"347437"	631.350051	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+Hac-H"	59.013851
"1497608"	345.181951	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Hac-H"	59.013851
"960779"	353.148251	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-H+NaCOOH"	66.980151
"119529"	321.137502	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+2Cl"	69.938804
"554714"	464.221552	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+2Cl"	69.938804
"1026793"	178.053452	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2Cl"	69.938804
"1243086"	365.086985	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Br"	78.918885
"1307728"	367.142972	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Cl+HCOOH"	80.974872
"1325226"	389.124929	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Cl+NaCOOH"	102.956829
"915555"	399.153686	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M-H+CF3COOH"	112.985586
"1292263"	435.130364	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Cl+CF3COOH"	148.962264
"1374434"	251.155424	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H-2H2O"	-35.012676
"1395943"	269.1654	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H-H2O"	-17.0027
"291619"	573.343476	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+H"	1.007276
"681852"	859.511576	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+H"	1.007276
"1356016"	287.175376	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H"	1.007276
"131093"	287.175376	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+2H"	2.014552
"570654"	430.259426	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+2H"	2.014552
"1038841"	144.091326	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2H"	2.014552
"211727"	191.786009333333	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+3H"	3.021828
"649101"	287.175376	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+3H"	3.021828
"1168321"	96.3966426666667	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+3H"	3.021828
"425153"	590.370023	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+NH4"	18.033823
"789307"	876.538123	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+NH4"	18.033823
"1688914"	304.201923	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+NH4"	18.033823
"336097"	295.6886495	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+H+NH4"	19.041099
"729610"	438.7726995	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+H+NH4"	19.041099
"1478698"	152.6045995	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H+NH4"	19.041099
"393610"	595.325418	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+Na"	22.989218
"762021"	881.493518	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+Na"	22.989218
"1604525"	309.157318	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Na"	22.989218
"319063"	298.166347	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+H+Na"	23.996494
"710755"	441.250397	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+H+Na"	23.996494
"1465305"	155.082297	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H+Na"	23.996494
"1061842"	103.723956666667	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2H+Na"	25.00377
"1267896"	319.201586	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+CH3OH+H"	33.033486
"391453"	611.299358	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+K"	38.963158
"748559"	897.467458	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+K"	38.963158
"1550612"	325.131258	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+K"	38.963158
"306693"	306.153317	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+H+K"	39.970434
"692915"	449.237367	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+H+K"	39.970434
"1451842"	163.069267	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H+K"	39.970434
"250790"	614.370026	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+ACN+H"	42.033826
"1224590"	328.201926	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+ACN+H"	42.033826
"1209569"	164.604601	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+ACN+2H"	43.041102
"204021"	617.30736	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+2Na-H"	44.97116
"643210"	903.47546	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+2Na-H"	44.97116
"1146239"	331.13926	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2Na-H"	44.97116
"187828"	309.157318	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+2Na"	45.978436
"626042"	452.241368	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+2Na"	45.978436
"1126633"	166.073268	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2Na"	45.978436
"1411250"	111.051270666667	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H+2Na"	46.985712
"1442636"	333.180846	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H+HCOOH"	47.012746
"235007"	314.19034	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+3H2O+2H"	56.04448
"1523069"	347.23289	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+IsoProp+H"	61.06479
"421537"	317.144288	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+Na+K"	61.952376
"782896"	460.228338	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+Na+K"	61.952376
"1677767"	174.060238	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Na+K"	61.952376
"262831"	636.351968	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+ACN+Na"	64.015768
"1228982"	350.183868	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+ACN+Na"	64.015768
"1716775"	350.207393	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+NH4+HCOOH"	64.039293
"1181035"	118.378584666667	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+3Na"	68.967654
"1658583"	355.162788	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Na+HCOOH"	68.994688
"166538"	649.25524	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+2K-H"	76.91904
"610112"	935.42334	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+2K-H"	76.91904
"1091704"	363.08714	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2K-H"	76.91904
"149615"	325.131258	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"2M+2K"	77.926316
"593551"	468.215308	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"3M+2K"	77.926316
"1080251"	182.047208	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2K"	77.926316
"1103617"	365.101692	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2K+H"	78.933592
"1342189"	365.189307	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+DMSO+H"	79.021207
"1012906"	369.228476	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2ACN+H"	83.060376
"1537593"	370.222108	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+IsoProp+Na+H"	84.054008
"1000760"	185.117876	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+2ACN+2H"	84.067652
"1595262"	371.136728	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+K+HCOOH"	84.968628
"1423109"	401.168238	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+H+CF3COOH"	115.000138
"1158866"	205.631151	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+3ACN+2H"	125.094202
"1708420"	418.194785	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+NH4+CF3COOH"	132.026685
"1635321"	423.15018	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+Na+CF3COOH"	136.98208
"1586283"	439.12412	"C20410"	"4-Dimethylallyl-L-abrine;4-(3-Methylbut-2-enyl)-L-abrine"	"C17H22N2O2"	"286.1681"	"M+K+CF3COOH"	152.95602
"814463"	424.4069	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M"	0
"981435"	405.38851	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-H2O-H"	-19.01839
"76244"	281.930657333333	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M-3H"	-3.021828
"509244"	423.399624	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M-3H"	-3.021828
"888139"	140.461690666667	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-3H"	-3.021828
"5624"	423.399624	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M-2H"	-2.014552
"450652"	635.603074	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M-2H"	-2.014552
"825173"	211.196174	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-2H"	-2.014552
"86260"	847.806524	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M-H"	-1.007276
"525818"	1272.213424	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M-H"	-1.007276
"902526"	423.399624	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-H"	-1.007276
"54713"	864.833071	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M-2H+NH4"	16.019271
"500836"	1289.239971	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M-2H+NH4"	16.019271
"876452"	440.426171	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-2H+NH4"	16.019271
"45084"	869.788466	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M-2H+Na"	20.974666
"483551"	1294.195366	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M-2H+Na"	20.974666
"850050"	445.381566	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-2H+Na"	20.974666
"1627970"	445.381566	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Na-2H"	20.974666
"101218"	441.387963	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M-H+Cl"	33.962126
"541872"	653.591413	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M-H+Cl"	33.962126
"928828"	229.184513	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-H+Cl"	33.962126
"267619"	883.783202	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+Cl"	34.969402
"663452"	1308.190102	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+Cl"	34.969402
"1276586"	459.376302	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Cl"	34.969402
"16469"	885.762406	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M-2H+K"	36.948606
"455917"	1310.169306	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M-2H+K"	36.948606
"833463"	461.355506	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-2H+K"	36.948606
"1558901"	461.355506	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+K-2H"	36.948606
"944963"	469.405094	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-H+HCOOH"	44.998194
"362808"	893.812001	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+HCOOH-H"	44.998201
"346689"	907.827651	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+Hac-H"	59.013851
"1495894"	483.420751	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Hac-H"	59.013851
"968542"	491.387051	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-H+NaCOOH"	66.980151
"115262"	459.376302	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+2Cl"	69.938804
"554824"	671.579752	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+2Cl"	69.938804
"1025810"	247.172852	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2Cl"	69.938804
"1246481"	503.325785	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Br"	78.918885
"1308202"	505.381772	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Cl+HCOOH"	80.974872
"1325336"	527.363729	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Cl+NaCOOH"	102.956829
"917488"	537.392486	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M-H+CF3COOH"	112.985586
"1292009"	573.369164	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Cl+CF3COOH"	148.962264
"1371264"	389.394224	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H-2H2O"	-35.012676
"1390949"	407.4042	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H-H2O"	-17.0027
"289542"	849.821076	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+H"	1.007276
"679775"	1274.227976	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+H"	1.007276
"1358313"	425.414176	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H"	1.007276
"135576"	425.414176	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+2H"	2.014552
"571858"	637.617626	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+2H"	2.014552
"1038831"	213.210726	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2H"	2.014552
"208557"	283.945209333333	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+3H"	3.021828
"651399"	425.414176	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+3H"	3.021828
"1167337"	142.476242666667	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+3H"	3.021828
"426235"	866.847623	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+NH4"	18.033823
"787230"	1291.254523	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+NH4"	18.033823
"1689024"	442.440723	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+NH4"	18.033823
"335115"	433.9274495	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+H+NH4"	19.041099
"727536"	646.1308995	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+H+NH4"	19.041099
"1479294"	221.7239995	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H+NH4"	19.041099
"393002"	871.803018	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+Na"	22.989218
"754307"	1296.209918	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+Na"	22.989218
"1605854"	447.396118	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Na"	22.989218
"316131"	436.405147	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+H+Na"	23.996494
"710501"	648.608597	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+H+Na"	23.996494
"1465415"	224.201697	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H+Na"	23.996494
"1061952"	149.803556666667	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2H+Na"	25.00377
"1268006"	457.440386	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+CH3OH+H"	33.033486
"390956"	887.776958	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+K"	38.963158
"748669"	1312.183858	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+K"	38.963158
"1549629"	463.370058	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+K"	38.963158
"303523"	444.392117	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+H+K"	39.970434
"693754"	656.595567	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+H+K"	39.970434
"1449766"	232.188667	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H+K"	39.970434
"241654"	890.847626	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+ACN+H"	42.033826
"1223481"	466.440726	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+ACN+H"	42.033826
"1209516"	233.724001	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+ACN+2H"	43.041102
"202059"	893.78496	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+2Na-H"	44.97116
"641254"	1318.19186	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+2Na-H"	44.97116
"1145491"	469.37806	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2Na-H"	44.97116
"186958"	447.396118	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+2Na"	45.978436
"627246"	659.599568	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+2Na"	45.978436
"1125649"	235.192668	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2Na"	45.978436
"1407349"	157.130870666667	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H+2Na"	46.985712
"1437277"	471.419646	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H+HCOOH"	47.012746
"234628"	452.42914	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+3H2O+2H"	56.04448
"1517221"	485.47169	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+IsoProp+H"	61.06479
"420187"	455.383088	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+Na+K"	61.952376
"776808"	667.586538	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+Na+K"	61.952376
"1669857"	243.179638	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Na+K"	61.952376
"259661"	912.829568	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+ACN+Na"	64.015768
"1229092"	488.422668	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+ACN+Na"	64.015768
"1715058"	488.446193	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+NH4+HCOOH"	64.039293
"1184422"	164.458184666667	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+3Na"	68.967654
"1652129"	493.401588	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Na+HCOOH"	68.994688
"163365"	925.73284	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+2K-H"	76.91904
"606208"	1350.13974	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+2K-H"	76.91904
"1095094"	501.32594	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2K-H"	76.91904
"146443"	463.370058	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"2M+2K"	77.926316
"593659"	675.573508	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"3M+2K"	77.926316
"1080363"	251.166608	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2K"	77.926316
"1112114"	503.340492	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2K+H"	78.933592
"1347767"	503.428107	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+DMSO+H"	79.021207
"1013016"	507.467276	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2ACN+H"	83.060376
"1536977"	508.460908	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+IsoProp+Na+H"	84.054008
"1003786"	254.237276	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+2ACN+2H"	84.067652
"1595372"	509.375528	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+K+HCOOH"	84.968628
"1422126"	539.407038	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+H+CF3COOH"	115.000138
"1160069"	274.750551	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+3ACN+2H"	125.094202
"1709259"	556.433585	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+NH4+CF3COOH"	132.026685
"1635431"	561.38898	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+Na+CF3COOH"	136.98208
"1586393"	577.36292	"C20411"	"3-Methyl-12-didehydro-23-dihydrosqualene"	"C31H52"	"424.4069"	"M+K+CF3COOH"	152.95602
"815666"	438.4226	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M"	0
"980452"	419.40421	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-H2O-H"	-19.01839
"74167"	291.274457333333	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M-3H"	-3.021828
"510447"	437.415324	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M-3H"	-3.021828
"888249"	145.133590666667	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-3H"	-3.021828
"5734"	437.415324	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M-2H"	-2.014552
"449668"	656.626624	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M-2H"	-2.014552
"827468"	218.204024	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-2H"	-2.014552
"86366"	875.837924	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M-H"	-1.007276
"525928"	1314.260524	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M-H"	-1.007276
"902636"	437.415324	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-H"	-1.007276
"54823"	892.864471	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M-2H+NH4"	16.019271
"499853"	1331.287071	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M-2H+NH4"	16.019271
"875468"	454.441871	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-2H+NH4"	16.019271
"44830"	897.819866	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M-2H+Na"	20.974666
"483660"	1336.242466	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M-2H+Na"	20.974666
"850161"	459.397266	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-2H+Na"	20.974666
"1623707"	459.397266	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Na-2H"	20.974666
"96955"	455.403663	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M-H+Cl"	33.962126
"541982"	674.614963	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M-H+Cl"	33.962126
"929301"	236.192363	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-H+Cl"	33.962126
"267243"	911.814602	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+Cl"	34.969402
"660050"	1350.237202	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+Cl"	34.969402
"1273901"	473.392002	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Cl"	34.969402
"16091"	913.793806	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M-2H+K"	36.948606
"456014"	1352.216406	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M-2H+K"	36.948606
"833373"	475.371206	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-2H+K"	36.948606
"1560107"	475.371206	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+K-2H"	36.948606
"945436"	483.420794	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-H+HCOOH"	44.998194
"361824"	921.843401	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+HCOOH-H"	44.998201
"345949"	935.859051	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+Hac-H"	59.013851
"1495276"	497.436451	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Hac-H"	59.013851
"969745"	505.402751	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-H+NaCOOH"	66.980151
"116465"	473.392002	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+2Cl"	69.938804
"558213"	692.603302	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+2Cl"	69.938804
"1028106"	254.180702	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2Cl"	69.938804
"1245499"	517.341485	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Br"	78.918885
"1309041"	519.397472	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Cl+HCOOH"	80.974872
"1324352"	541.379429	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Cl+NaCOOH"	102.956829
"917598"	551.408186	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M-H+CF3COOH"	112.985586
"1292119"	587.384864	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Cl+CF3COOH"	148.962264
"1370280"	403.409924	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H-2H2O"	-35.012676
"1388871"	421.4199	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H-H2O"	-17.0027
"288558"	877.852476	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+H"	1.007276
"677329"	1316.275076	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+H"	1.007276
"1352589"	439.429876	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H"	1.007276
"132404"	439.429876	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+2H"	2.014552
"575248"	658.641176	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+2H"	2.014552
"1046234"	220.218576	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2H"	2.014552
"209760"	293.289009333333	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+3H"	3.021828
"651508"	439.429876	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+3H"	3.021828
"1168541"	147.148142666667	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+3H"	3.021828
"428531"	894.879023	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+NH4"	18.033823
"788433"	1333.301623	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+NH4"	18.033823
"1689135"	456.456423	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+NH4"	18.033823
"334133"	447.9431495	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+H+NH4"	19.041099
"725460"	667.1544495	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+H+NH4"	19.041099
"1479283"	228.7318495	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H+NH4"	19.041099
"393829"	899.834418	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+Na"	22.989218
"755677"	1338.257018	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+Na"	22.989218
"1605961"	461.411818	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Na"	22.989218
"320370"	450.420847	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+H+Na"	23.996494
"710610"	669.632147	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+H+Na"	23.996494
"1465525"	231.209547	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H+Na"	23.996494
"1064248"	154.475456666667	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2H+Na"	25.00377
"1265926"	471.456086	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+CH3OH+H"	33.033486
"391430"	915.808358	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+K"	38.963158
"750964"	1354.230958	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+K"	38.963158
"1549736"	477.385758	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+K"	38.963158
"303632"	458.407817	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+H+K"	39.970434
"694956"	677.619117	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+H+K"	39.970434
"1450967"	239.196517	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H+K"	39.970434
"245043"	918.879026	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+ACN+H"	42.033826
"1225095"	480.456426	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+ACN+H"	42.033826
"1209870"	240.731851	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+ACN+2H"	43.041102
"204121"	921.81636	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+2Na-H"	44.97116
"644030"	1360.23896	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+2Na-H"	44.97116
"1146654"	483.39376	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2Na-H"	44.97116
"188285"	461.411818	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+2Na"	45.978436
"628365"	680.623118	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+2Na"	45.978436
"1130498"	242.200518	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2Na"	45.978436
"1405272"	161.802770666667	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H+2Na"	46.985712
"1439575"	485.435346	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H+HCOOH"	47.012746
"232186"	466.44484	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+3H2O+2H"	56.04448
"1516238"	499.48739	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+IsoProp+H"	61.06479
"417017"	469.398788	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+Na+K"	61.952376
"778011"	688.610088	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+Na+K"	61.952376
"1669967"	250.187488	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Na+K"	61.952376
"258678"	940.860968	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+ACN+Na"	64.015768
"1229202"	502.438368	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+ACN+Na"	64.015768
"1718084"	502.461893	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+NH4+HCOOH"	64.039293
"1185625"	169.130084666667	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+3Na"	68.967654
"1652238"	507.417288	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Na+HCOOH"	68.994688
"162382"	953.76424	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+2K-H"	76.91904
"604131"	1392.18684	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+2K-H"	76.91904
"1091924"	515.34164	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2K-H"	76.91904
"146550"	477.385758	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"2M+2K"	77.926316
"588301"	696.597058	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"3M+2K"	77.926316
"1077189"	258.174458	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2K"	77.926316
"1114772"	517.356192	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2K+H"	78.933592
"1344596"	517.443807	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+DMSO+H"	79.021207
"1015313"	521.482976	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2ACN+H"	83.060376
"1531251"	522.476608	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+IsoProp+Na+H"	84.054008
"998792"	261.245126	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+2ACN+2H"	84.067652
"1595481"	523.391228	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+K+HCOOH"	84.968628
"1421142"	553.422738	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+H+CF3COOH"	115.000138
"1153618"	281.758401	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+3ACN+2H"	125.094202
"1709733"	570.449285	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+NH4+CF3COOH"	132.026685
"1636634"	575.40468	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+Na+CF3COOH"	136.98208
"1586503"	591.37862	"C20412"	"322-Dimethyl-122324-tetradehydro-232223-tetrahydrosqualene"	"C32H54"	"438.4226"	"M+K+CF3COOH"	152.95602
"814683"	991.2201	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M"	0
"982749"	972.20171	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-H2O-H"	-19.01839
"70997"	659.806124	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M-3H"	-3.021828
"508371"	990.212824	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M-3H"	-3.021828
"888359"	329.399424	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-3H"	-3.021828
"2563"	990.212824	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M-2H"	-2.014552
"446498"	1485.822874	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M-2H"	-2.014552
"821018"	494.602774	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-2H"	-2.014552
"83196"	1981.432924	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M-H"	-1.007276
"524938"	2972.653024	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M-H"	-1.007276
"902745"	990.212824	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-H"	-1.007276
"52746"	1998.459471	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M-2H+NH4"	16.019271
"495589"	2989.679571	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M-2H+NH4"	16.019271
"870111"	1007.239371	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-2H+NH4"	16.019271
"39106"	2003.414866	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M-2H+Na"	20.974666
"477571"	2994.634966	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M-2H+Na"	20.974666
"849661"	1012.194766	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-2H+Na"	20.974666
"1618870"	1012.194766	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Na-2H"	20.974666
"97065"	1008.201163	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M-H+Cl"	33.962126
"538813"	1503.811213	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M-H+Cl"	33.962126
"927630"	512.591113	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-H+Cl"	33.962126
"267125"	2017.409602	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+Cl"	34.969402
"661604"	3008.629702	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+Cl"	34.969402
"1274011"	1026.189502	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Cl"	34.969402
"15781"	2019.388806	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M-2H+K"	36.948606
"455996"	3010.608906	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M-2H+K"	36.948606
"833240"	1028.168706	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-2H+K"	36.948606
"1558030"	1028.168706	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+K-2H"	36.948606
"945911"	1036.218294	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-H+HCOOH"	44.998194
"361537"	2027.438401	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+HCOOH-H"	44.998201
"345691"	2041.454051	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+Hac-H"	59.013851
"1494291"	1050.233951	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Hac-H"	59.013851
"967668"	1058.200251	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-H+NaCOOH"	66.980151
"118762"	1026.189502	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+2Cl"	69.938804
"555044"	1521.799552	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+2Cl"	69.938804
"1028217"	530.579452	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2Cl"	69.938804
"1246337"	1070.138985	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Br"	78.918885
"1304896"	1072.194972	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Cl+HCOOH"	80.974872
"1325555"	1094.176929	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Cl+NaCOOH"	102.956829
"917708"	1104.205686	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M-H+CF3COOH"	112.985586
"1291134"	1140.182364	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Cl+CF3COOH"	148.962264
"1369660"	956.207424	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H-2H2O"	-35.012676
"1384603"	974.2174	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H-H2O"	-17.0027
"286480"	1983.447476	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+H"	1.007276
"676832"	2974.667576	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+H"	1.007276
"1353063"	992.227376	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H"	1.007276
"127047"	992.227376	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+2H"	2.014552
"572075"	1487.837426	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+2H"	2.014552
"1040875"	496.617326	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2H"	2.014552
"208777"	661.820676	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+3H"	3.021828
"644567"	992.227376	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+3H"	3.021828
"1163545"	331.413976	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+3H"	3.021828
"425360"	2000.474023	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+NH4"	18.033823
"786719"	2991.694123	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+NH4"	18.033823
"1683776"	1009.253923	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+NH4"	18.033823
"330513"	1000.7406495	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+H+NH4"	19.041099
"724476"	1496.3506995	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+H+NH4"	19.041099
"1478055"	505.1305995	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H+NH4"	19.041099
"393089"	2005.429418	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+Na"	22.989218
"755177"	2996.649518	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+Na"	22.989218
"1604369"	1014.209318	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Na"	22.989218
"319387"	1003.218347	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+H+Na"	23.996494
"709991"	1498.828397	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+H+Na"	23.996494
"1465635"	507.608297	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H+Na"	23.996494
"1058885"	338.74129	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2H+Na"	25.00377
"1266036"	1024.253586	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+CH3OH+H"	33.033486
"385706"	2021.403358	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+K"	38.963158
"749981"	3012.623458	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+K"	38.963158
"1545471"	1030.183258	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+K"	38.963158
"301554"	1011.205317	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+H+K"	39.970434
"695069"	1506.815367	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+H+K"	39.970434
"1446703"	515.595267	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H+K"	39.970434
"244060"	2024.474026	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+ACN+H"	42.033826
"1220049"	1033.253926	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+ACN+H"	42.033826
"1205027"	517.130601	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+ACN+2H"	43.041102
"201181"	2027.41136	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+2Na-H"	44.97116
"641835"	3018.63146	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+2Na-H"	44.97116
"1143154"	1036.19126	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2Na-H"	44.97116
"179883"	1014.209318	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+2Na"	45.978436
"628075"	1509.819368	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+2Na"	45.978436
"1130607"	518.599268	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2Na"	45.978436
"1409755"	346.068604	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H+2Na"	46.985712
"1439685"	1038.232846	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H+HCOOH"	47.012746
"232296"	1019.24234	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+3H2O+2H"	56.04448
"1517440"	1052.28489	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+IsoProp+H"	61.06479
"413846"	1022.196288	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+Na+K"	61.952376
"774842"	1517.806338	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+Na+K"	61.952376
"1671171"	526.586238	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Na+K"	61.952376
"258788"	2046.455968	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+ACN+Na"	64.015768
"1228219"	1055.235868	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+ACN+Na"	64.015768
"1717101"	1055.259393	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+NH4+HCOOH"	64.039293
"1181361"	353.395918	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+3Na"	68.967654
"1652348"	1060.214788	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Na+HCOOH"	68.994688
"163585"	2059.35924	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+2K-H"	76.91904
"605334"	3050.57934	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+2K-H"	76.91904
"1089847"	1068.13914	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2K-H"	76.91904
"146660"	1030.183258	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"2M+2K"	77.926316
"587318"	1525.793308	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"3M+2K"	77.926316
"1076205"	534.573208	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2K"	77.926316
"1111603"	1070.153692	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2K+H"	78.933592
"1344706"	1070.241307	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+DMSO+H"	79.021207
"1014330"	1074.280476	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2ACN+H"	83.060376
"1525527"	1075.274108	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+IsoProp+Na+H"	84.054008
"995621"	537.643876	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+2ACN+2H"	84.067652
"1593405"	1076.188728	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+K+HCOOH"	84.968628
"1421252"	1106.220238	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+H+CF3COOH"	115.000138
"1151541"	558.157151	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+3ACN+2H"	125.094202
"1710208"	1123.246785	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+NH4+CF3COOH"	132.026685
"1636744"	1128.20218	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+Na+CF3COOH"	136.98208
"1586613"	1144.17612	"C20413"	"357-Trioxododecanoyl-CoA"	"C33H52N7O20P3S"	"991.2201"	"M+K+CF3COOH"	152.95602
"814793"	162.0317	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M"	0
"982859"	143.01331	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H2O-H"	-19.01839
"72201"	107.013857333333	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-3H"	-3.021828
"508481"	161.024424	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-3H"	-3.021828
"888469"	53.0032906666667	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-3H"	-3.021828
"5953"	161.024424	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H"	-2.014552
"449889"	242.040274	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H"	-2.014552
"824408"	80.008574	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H"	-2.014552
"85492"	323.056124	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-H"	-1.007276
"522862"	485.087824	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-H"	-1.007276
"903949"	161.024424	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H"	-1.007276
"53949"	340.082671	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H+NH4"	16.019271
"495699"	502.114371	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H+NH4"	16.019271
"868034"	178.050971	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H+NH4"	16.019271
"37029"	345.038066	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H+Na"	20.974666
"477681"	507.069766	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H+Na"	20.974666
"848878"	183.006366	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H+Na"	20.974666
"1619912"	183.006366	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na-2H"	20.974666
"99359"	179.012763	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-H+Cl"	33.962126
"542203"	260.028613	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-H+Cl"	33.962126
"929887"	97.996913	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+Cl"	33.962126
"267580"	359.032802	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Cl"	34.969402
"663052"	521.064502	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+Cl"	34.969402
"1275093"	197.001102	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl"	34.969402
"16676"	361.012006	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M-2H+K"	36.948606
"456030"	523.043706	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M-2H+K"	36.948606
"835375"	198.980306	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-2H+K"	36.948606
"1559960"	198.980306	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K-2H"	36.948606
"946384"	207.029894	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+HCOOH"	44.998194
"362775"	369.061601	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+HCOOH-H"	44.998201
"345814"	383.077251	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Hac-H"	59.013851
"1496222"	221.045551	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Hac-H"	59.013851
"964498"	229.011851	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+NaCOOH"	66.980151
"115592"	197.001102	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2Cl"	69.938804
"554423"	278.016952	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2Cl"	69.938804
"1025776"	115.985252	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2Cl"	69.938804
"1246447"	240.950585	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Br"	78.918885
"1305613"	243.006572	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl+HCOOH"	80.974872
"1322381"	264.988529	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl+NaCOOH"	102.956829
"914898"	275.017286	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M-H+CF3COOH"	112.985586
"1291973"	310.993964	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Cl+CF3COOH"	148.962264
"1370500"	127.019024	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H-2H2O"	-35.012676
"1384349"	145.029	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H-H2O"	-17.0027
"286587"	325.070676	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H"	1.007276
"677914"	487.102376	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H"	1.007276
"1353174"	163.038976	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H"	1.007276
"128614"	163.038976	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2H"	2.014552
"572185"	244.054826	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2H"	2.014552
"1043171"	82.023126	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2H"	2.014552
"213259"	109.028409333333	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+3H"	3.021828
"646623"	163.038976	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+3H"	3.021828
"1168758"	55.0178426666667	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+3H"	3.021828
"430937"	342.097223	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+NH4"	18.033823
"787922"	504.128923	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+NH4"	18.033823
"1683278"	180.065523	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+NH4"	18.033823
"330217"	171.5522495	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H+NH4"	19.041099
"724586"	252.5680995	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H+NH4"	19.041099
"1478409"	90.5363995	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+NH4"	19.041099
"394293"	347.052618	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Na"	22.989218
"755165"	509.084318	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+Na"	22.989218
"1605453"	185.020918	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na"	22.989218
"317674"	174.029947	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H+Na"	23.996494
"708152"	255.045797	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H+Na"	23.996494
"1465745"	93.014097	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+Na"	23.996494
"1058993"	62.3451566666667	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2H+Na"	25.00377
"1260305"	195.065186	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+CH3OH+H"	33.033486
"380340"	363.026558	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+K"	38.963158
"742436"	525.058258	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+K"	38.963158
"1544488"	200.994858	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K"	38.963158
"302025"	182.016917	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+H+K"	39.970434
"692866"	263.032767	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+H+K"	39.970434
"1447906"	101.001067	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+K"	39.970434
"243077"	366.097226	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+ACN+H"	42.033826
"1219066"	204.065526	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+ACN+H"	42.033826
"1205866"	102.536401	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+ACN+2H"	43.041102
"201655"	369.03456	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2Na-H"	44.97116
"641944"	531.06626	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2Na-H"	44.97116
"1143264"	207.00286	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2Na-H"	44.97116
"179993"	185.020918	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2Na"	45.978436
"628062"	266.036768	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2Na"	45.978436
"1130475"	104.005068	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2Na"	45.978436
"1409865"	69.6724706666667	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+2Na"	46.985712
"1439795"	209.044446	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+HCOOH"	47.012746
"232770"	190.05394	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+3H2O+2H"	56.04448
"1516457"	223.09649	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+IsoProp+H"	61.06479
"413956"	193.007888	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+Na+K"	61.952376
"776045"	274.023738	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+Na+K"	61.952376
"1671281"	111.992038	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na+K"	61.952376
"262177"	388.079168	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+ACN+Na"	64.015768
"1231608"	226.047468	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+ACN+Na"	64.015768
"1717211"	226.070993	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+NH4+HCOOH"	64.039293
"1182565"	76.9997846666667	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+3Na"	68.967654
"1652458"	231.026388	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na+HCOOH"	68.994688
"164788"	400.98244	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2K-H"	76.91904
"605442"	563.01414	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2K-H"	76.91904
"1094329"	238.95074	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2K-H"	76.91904
"145676"	200.994858	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"2M+2K"	77.926316
"591801"	282.010708	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"3M+2K"	77.926316
"1077410"	119.979008	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2K"	77.926316
"1108434"	240.965292	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2K+H"	78.933592
"1347003"	241.052907	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+DMSO+H"	79.021207
"1017719"	245.092076	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2ACN+H"	83.060376
"1527095"	246.085708	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+IsoProp+Na+H"	84.054008
"996823"	123.049676	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+2ACN+2H"	84.067652
"1595701"	247.000328	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K+HCOOH"	84.968628
"1422455"	277.031838	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+H+CF3COOH"	115.000138
"1156024"	143.562951	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+3ACN+2H"	125.094202
"1706670"	294.058385	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+NH4+CF3COOH"	132.026685
"1642320"	299.01378	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+Na+CF3COOH"	136.98208
"1586723"	314.98772	"C20414"	"4-Hydroxycoumarin"	"C9H6O3"	"162.0317"	"M+K+CF3COOH"	152.95602
"814903"	589.1074	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M"	0
"982969"	570.08901	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-H2O-H"	-19.01839
"72310"	391.730990666667	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M-3H"	-3.021828
"510777"	588.100124	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M-3H"	-3.021828
"888579"	195.361857333333	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-3H"	-3.021828
"9343"	588.100124	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M-2H"	-2.014552
"452914"	882.653824	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M-2H"	-2.014552
"827799"	293.546424	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-2H"	-2.014552
"87790"	1177.207524	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M-H"	-1.007276
"525161"	1766.314924	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M-H"	-1.007276
"901868"	588.100124	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-H"	-1.007276
"51871"	1194.234071	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M-2H+NH4"	16.019271
"497997"	1783.341471	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M-2H+NH4"	16.019271
"868144"	605.126671	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-2H+NH4"	16.019271
"37139"	1199.189466	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M-2H+Na"	20.974666
"478886"	1788.296866	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M-2H+Na"	20.974666
"849027"	610.082066	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-2H+Na"	20.974666
"1618762"	610.082066	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Na-2H"	20.974666
"95702"	606.088463	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M-H+Cl"	33.962126
"535263"	900.642163	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M-H+Cl"	33.962126
"930727"	311.534763	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-H+Cl"	33.962126
"267571"	1213.184202	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+Cl"	34.969402
"663527"	1802.291602	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+Cl"	34.969402
"1279212"	624.076802	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Cl"	34.969402
"16662"	1215.163406	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M-2H+K"	36.948606
"456343"	1804.270806	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M-2H+K"	36.948606
"835485"	626.056006	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-2H+K"	36.948606
"1560437"	626.056006	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+K-2H"	36.948606
"946494"	634.105594	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-H+HCOOH"	44.998194
"363249"	1223.213001	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+HCOOH-H"	44.998201
"347497"	1237.228651	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+Hac-H"	59.013851
"1495604"	648.121251	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Hac-H"	59.013851
"966795"	656.087551	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-H+NaCOOH"	66.980151
"121534"	624.076802	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+2Cl"	69.938804
"557450"	918.630502	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+2Cl"	69.938804
"1027345"	329.523102	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2Cl"	69.938804
"1245100"	668.026285	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Br"	78.918885
"1306453"	670.082272	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Cl+HCOOH"	80.974872
"1322127"	692.064229	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Cl+NaCOOH"	102.956829
"912823"	702.092986	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M-H+CF3COOH"	112.985586
"1293907"	738.069664	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Cl+CF3COOH"	148.962264
"1370974"	554.094724	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H-2H2O"	-35.012676
"1383366"	572.1047	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H-H2O"	-17.0027
"285233"	1179.222076	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+H"	1.007276
"682401"	1768.329476	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+H"	1.007276
"1353284"	590.114676	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H"	1.007276
"125925"	590.114676	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+2H"	2.014552
"570109"	884.668376	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+2H"	2.014552
"1040000"	295.560976	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2H"	2.014552
"208995"	393.745542666667	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+3H"	3.021828
"647461"	590.114676	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+3H"	3.021828
"1164494"	197.376409333333	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+3H"	3.021828
"425579"	1196.248623	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+NH4"	18.033823
"788031"	1785.356023	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+NH4"	18.033823
"1681522"	607.141223	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+NH4"	18.033823
"330938"	598.6279495	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+H+NH4"	19.041099
"724335"	893.1816495	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+H+NH4"	19.041099
"1478154"	304.0742495	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H+NH4"	19.041099
"395379"	1201.204018	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+Na"	22.989218
"755764"	1790.311418	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+Na"	22.989218
"1604591"	612.096618	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Na"	22.989218
"316692"	601.105647	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+H+Na"	23.996494
"709115"	895.659347	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+H+Na"	23.996494
"1465855"	306.551947	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H+Na"	23.996494
"1057278"	204.703723333333	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2H+Na"	25.00377
"1261145"	622.140886	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+CH3OH+H"	33.033486
"379356"	1217.177958	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+K"	38.963158
"740712"	1806.285358	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+K"	38.963158
"1545691"	628.070558	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+K"	38.963158
"301772"	609.092617	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+H+K"	39.970434
"692371"	903.646317	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+H+K"	39.970434
"1449109"	314.538917	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H+K"	39.970434
"245373"	1220.248626	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+ACN+H"	42.033826
"1220269"	631.141226	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+ACN+H"	42.033826
"1204883"	316.074251	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+ACN+2H"	43.041102
"202129"	1223.18596	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+2Na-H"	44.97116
"642054"	1812.29336	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+2Na-H"	44.97116
"1145563"	634.07856	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2Na-H"	44.97116
"180103"	612.096618	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+2Na"	45.978436
"627932"	906.650318	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+2Na"	45.978436
"1130584"	317.542918	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2Na"	45.978436
"1409975"	212.031037333333	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H+2Na"	46.985712
"1438811"	636.120146	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H+HCOOH"	47.012746
"229600"	617.12964	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+3H2O+2H"	56.04448
"1516567"	650.17219	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+IsoProp+H"	61.06479
"414066"	620.083588	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+Na+K"	61.952376
"777249"	914.637288	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+Na+K"	61.952376
"1676861"	325.529888	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Na+K"	61.952376
"259009"	1242.230568	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+ACN+Na"	64.015768
"1230625"	653.123168	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+ACN+Na"	64.015768
"1717321"	653.146693	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+NH4+HCOOH"	64.039293
"1182675"	219.358351333333	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+3Na"	68.967654
"1654755"	658.102088	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Na+HCOOH"	68.994688
"160523"	1255.13384	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+2K-H"	76.91904
"604458"	1844.24124	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+2K-H"	76.91904
"1094439"	666.02644	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2K-H"	76.91904
"152351"	628.070558	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"2M+2K"	77.926316
"590818"	922.624258	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"3M+2K"	77.926316
"1080436"	333.516858	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2K"	77.926316
"1110729"	668.040992	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2K+H"	78.933592
"1347113"	668.128607	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+DMSO+H"	79.021207
"1015643"	672.167776	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2ACN+H"	83.060376
"1528299"	673.161408	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+IsoProp+Na+H"	84.054008
"996934"	336.587526	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+2ACN+2H"	84.067652
"1594718"	674.076028	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+K+HCOOH"	84.968628
"1423658"	704.107538	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+H+CF3COOH"	115.000138
"1156134"	357.100801	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+3ACN+2H"	125.094202
"1704594"	721.134085	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+NH4+CF3COOH"	132.026685
"1640243"	726.08948	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+Na+CF3COOH"	136.98208
"1586833"	742.06342	"C20415"	"dTDP-4-acetamido-46-dideoxy-alpha-D-galactose;dTDP-Fuc4NAc"	"C18H29N3O15P2"	"589.1074"	"M+K+CF3COOH"	152.95602
"814649"	1207.7065	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M"	0
"983079"	1188.68811	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-H2O-H"	-19.01839
"77884"	804.130390666667	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M-3H"	-3.021828
"517084"	1206.699224	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M-3H"	-3.021828
"891969"	401.561557333333	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-3H"	-3.021828
"7265"	1206.699224	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M-2H"	-2.014552
"452295"	1810.552474	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M-2H"	-2.014552
"827909"	602.845974	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-2H"	-2.014552
"87900"	2414.405724	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M-H"	-1.007276
"526365"	3622.112224	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M-H"	-1.007276
"903072"	1206.699224	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-H"	-1.007276
"55262"	2431.432271	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M-2H+NH4"	16.019271
"500658"	3639.138771	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M-2H+NH4"	16.019271
"871535"	1223.725771	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-2H+NH4"	16.019271
"37249"	2436.387666	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M-2H+Na"	20.974666
"480089"	3644.094166	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M-2H+Na"	20.974666
"849503"	1228.681166	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-2H+Na"	20.974666
"1621956"	1228.681166	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Na-2H"	20.974666
"103953"	1224.687563	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M-H+Cl"	33.962126
"540234"	1828.540813	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M-H+Cl"	33.962126
"932660"	620.834313	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-H+Cl"	33.962126
"268903"	2450.382402	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+Cl"	34.969402
"665095"	3658.088902	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+Cl"	34.969402
"1277134"	1242.675902	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Cl"	34.969402
"17868"	2452.361606	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M-2H+K"	36.948606
"458520"	3660.068106	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M-2H+K"	36.948606
"835595"	1244.655106	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-2H+K"	36.948606
"1560547"	1244.655106	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+K-2H"	36.948606
"946606"	1252.704694	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-H+HCOOH"	44.998194
"362996"	2460.411201	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+HCOOH-H"	44.998201
"346517"	2474.426851	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+Hac-H"	59.013851
"1498267"	1266.720351	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Hac-H"	59.013851
"966541"	1274.686651	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-H+NaCOOH"	66.980151
"123831"	1242.675902	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+2Cl"	69.938804
"559383"	1846.529152	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+2Cl"	69.938804
"1029641"	638.822652	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2Cl"	69.938804
"1243023"	1286.625385	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Br"	78.918885
"1305471"	1288.681372	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Cl+HCOOH"	80.974872
"1320780"	1310.663329	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Cl+NaCOOH"	102.956829
"912204"	1320.692086	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M-H+CF3COOH"	112.985586
"1293653"	1356.668764	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Cl+CF3COOH"	148.962264
"1370720"	1172.693824	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H-2H2O"	-35.012676
"1384932"	1190.7038	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H-H2O"	-17.0027
"283523"	2416.420276	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+H"	1.007276
"683605"	3624.126776	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+H"	1.007276
"1353394"	1208.713776	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H"	1.007276
"126039"	1208.713776	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+2H"	2.014552
"566936"	1812.567026	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+2H"	2.014552
"1039016"	604.860526	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2H"	2.014552
"212384"	806.144942666667	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+3H"	3.021828
"649757"	1208.713776	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+3H"	3.021828
"1164601"	403.576109333333	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+3H"	3.021828
"431154"	2433.446823	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+NH4"	18.033823
"789964"	3641.153323	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+NH4"	18.033823
"1682286"	1225.740323	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+NH4"	18.033823
"330929"	1217.2270495	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+H+NH4"	19.041099
"724568"	1821.0802995	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+H+NH4"	19.041099
"1478995"	613.3737995	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H+NH4"	19.041099
"396218"	2438.402218	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+Na"	22.989218
"757577"	3646.108718	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+Na"	22.989218
"1604581"	1230.695718	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Na"	22.989218
"316075"	1219.704747	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+H+Na"	23.996494
"708981"	1823.557997	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+H+Na"	23.996494
"1467059"	615.851497	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H+Na"	23.996494
"1058118"	410.903423333333	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2H+Na"	25.00377
"1260162"	1240.739986	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+CH3OH+H"	33.033486
"380561"	2454.376158	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+K"	38.963158
"740097"	3662.082658	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+K"	38.963158
"1544705"	1246.669658	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+K"	38.963158
"301882"	1227.691717	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+H+K"	39.970434
"693210"	1831.544967	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+H+K"	39.970434
"1451405"	623.838467	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H+K"	39.970434
"245483"	2457.446826	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+ACN+H"	42.033826
"1220379"	1249.740326	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+ACN+H"	42.033826
"1205358"	625.373801	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+ACN+2H"	43.041102
"203091"	2460.38416	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+2Na-H"	44.97116
"641070"	3668.09066	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+2Na-H"	44.97116
"1146524"	1252.67766	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2Na-H"	44.97116
"185680"	1230.695718	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+2Na"	45.978436
"628203"	1834.548968	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+2Na"	45.978436
"1131022"	626.842468	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2Na"	45.978436
"1411908"	418.230737333333	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H+2Na"	46.985712
"1438921"	1254.719246	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H+HCOOH"	47.012746
"227522"	1235.72874	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+3H2O+2H"	56.04448
"1513397"	1268.77129	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+IsoProp+H"	61.06479
"414176"	1238.682688	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+Na+K"	61.952376
"776265"	1842.535938	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+Na+K"	61.952376
"1675876"	634.829438	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Na+K"	61.952376
"264223"	2479.428768	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+ACN+Na"	64.015768
"1239119"	1271.722268	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+ACN+Na"	64.015768
"1722898"	1271.745793	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+NH4+HCOOH"	64.039293
"1186065"	425.558051333333	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+3Na"	68.967654
"1654865"	1276.701188	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Na+HCOOH"	68.994688
"160633"	2492.33204	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+2K-H"	76.91904
"604568"	3700.03854	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+2K-H"	76.91904
"1093457"	1284.62554	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2K-H"	76.91904
"152460"	1246.669658	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"2M+2K"	77.926316
"590928"	1850.522908	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"3M+2K"	77.926316
"1079815"	642.816408	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2K"	77.926316
"1113026"	1286.640092	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2K+H"	78.933592
"1348316"	1286.727707	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+DMSO+H"	79.021207
"1019033"	1290.766876	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2ACN+H"	83.060376
"1528409"	1291.760508	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+IsoProp+Na+H"	84.054008
"994857"	645.887076	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+2ACN+2H"	84.067652
"1590454"	1292.675128	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+K+HCOOH"	84.968628
"1420487"	1322.706638	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+H+CF3COOH"	115.000138
"1157337"	666.400351	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+3ACN+2H"	125.094202
"1706890"	1339.733185	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+NH4+CF3COOH"	132.026685
"1640353"	1344.68858	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+Na+CF3COOH"	136.98208
"1586943"	1360.66252	"C20416"	"alpha-L-Rhamnopyranosyl-(1-3)-N-acetyl-alpha-D-glucosaminyl-diphospho-transoctacis-decaprenol"	"C64H107NO16P2"	"1207.7065"	"M+K+CF3COOH"	152.95602
"814395"	224.1049	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M"	0
"983189"	205.08651	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-H2O-H"	-19.01839
"74714"	148.395990666667	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M-3H"	-3.021828
"514277"	223.097624	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M-3H"	-3.021828
"892079"	73.6943573333333	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-3H"	-3.021828
"8469"	223.097624	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M-2H"	-2.014552
"452405"	335.150074	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M-2H"	-2.014552
"828019"	111.045174	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-2H"	-2.014552
"88010"	447.202524	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M-H"	-1.007276
"525381"	671.307424	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M-H"	-1.007276
"899902"	223.097624	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-H"	-1.007276
"52092"	464.229071	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M-2H+NH4"	16.019271
"499310"	688.333971	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M-2H+NH4"	16.019271
"874925"	240.124171	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-2H+NH4"	16.019271
"37359"	469.184466	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M-2H+Na"	20.974666
"478012"	693.289366	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M-2H+Na"	20.974666
"848636"	245.079566	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-2H+Na"	20.974666
"1619027"	245.079566	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Na-2H"	20.974666
"99690"	241.085963	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M-H+Cl"	33.962126
"537064"	353.138413	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M-H+Cl"	33.962126
"934957"	129.033513	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-H+Cl"	33.962126
"270596"	483.179202	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+Cl"	34.969402
"667030"	707.284102	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+Cl"	34.969402
"1277246"	259.074302	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Cl"	34.969402
"18707"	485.158406	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M-2H+K"	36.948606
"459361"	709.263306	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M-2H+K"	36.948606
"834613"	261.053506	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-2H+K"	36.948606
"1560657"	261.053506	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+K-2H"	36.948606
"945260"	269.103094	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-H+HCOOH"	44.998194
"364931"	493.208001	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+HCOOH-H"	44.998201
"352826"	507.223651	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+Hac-H"	59.013851
"1498379"	283.118751	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Hac-H"	59.013851
"968110"	291.085051	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-H+NaCOOH"	66.980151
"121392"	259.074302	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+2Cl"	69.938804
"557672"	371.126752	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+2Cl"	69.938804
"1030846"	147.021852	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2Cl"	69.938804
"1243132"	303.023785	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Br"	78.918885
"1304528"	305.079772	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Cl+HCOOH"	80.974872
"1320161"	327.061729	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Cl+NaCOOH"	102.956829
"914867"	337.090486	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M-H+CF3COOH"	112.985586
"1295950"	373.067164	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Cl+CF3COOH"	148.962264
"1373017"	189.092224	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H-2H2O"	-35.012676
"1387234"	207.1022	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H-H2O"	-17.0027
"290200"	449.217076	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+H"	1.007276
"677153"	673.321976	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+H"	1.007276
"1355691"	225.112176	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H"	1.007276
"126148"	225.112176	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+2H"	2.014552
"572514"	337.164626	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+2H"	2.014552
"1043500"	113.059726	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2H"	2.014552
"213587"	150.410542666667	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+3H"	3.021828
"654241"	225.112176	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+3H"	3.021828
"1164712"	75.7089093333333	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+3H"	3.021828
"431264"	466.243623	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+NH4"	18.033823
"791168"	690.348523	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+NH4"	18.033823
"1682396"	242.138723	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+NH4"	18.033823
"331768"	233.6254495	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+H+NH4"	19.041099
"726744"	345.6778995	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+H+NH4"	19.041099
"1479105"	121.5729995	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H+NH4"	19.041099
"394870"	471.199018	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+Na"	22.989218
"757687"	695.303918	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+Na"	22.989218
"1605055"	247.094118	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Na"	22.989218
"315456"	236.103147	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+H+Na"	23.996494
"708607"	348.155597	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+H+Na"	23.996494
"1467170"	124.050697	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H+Na"	23.996494
"1056769"	83.0362233333333	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2H+Na"	25.00377
"1257145"	257.138386	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+CH3OH+H"	33.033486
"379940"	487.172958	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+K"	38.963158
"740207"	711.277858	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+K"	38.963158
"1541167"	263.068058	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+K"	38.963158
"299073"	244.090117	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+H+K"	39.970434
"694415"	356.142567	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+H+K"	39.970434
"1446088"	132.037667	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H+K"	39.970434
"246686"	490.243626	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+ACN+H"	42.033826
"1220489"	266.138726	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+ACN+H"	42.033826
"1205467"	133.573001	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+ACN+2H"	43.041102
"200525"	493.18096	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+2Na-H"	44.97116
"641180"	717.28586	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+2Na-H"	44.97116
"1146639"	269.07606	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2Na-H"	44.97116
"187740"	247.094118	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+2Na"	45.978436
"627787"	359.146568	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+2Na"	45.978436
"1130318"	135.041668	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2Na"	45.978436
"1411288"	90.3635373333333	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H+2Na"	46.985712
"1439031"	271.117646	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H+HCOOH"	47.012746
"224352"	252.12714	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+3H2O+2H"	56.04448
"1510589"	285.16969	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+IsoProp+H"	61.06479
"412096"	255.081088	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+Na+K"	61.952376
"776375"	367.133538	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+Na+K"	61.952376
"1673800"	143.028638	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Na+K"	61.952376
"259226"	512.225568	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+ACN+Na"	64.015768
"1235216"	288.120668	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+ACN+Na"	64.015768
"1714258"	288.144193	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+NH4+HCOOH"	64.039293
"1178962"	97.6908513333333	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+3Na"	68.967654
"1650354"	293.099588	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Na+HCOOH"	68.994688
"160743"	525.12884	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+2K-H"	76.91904
"600304"	749.23374	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+2K-H"	76.91904
"1084489"	301.02394	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2K-H"	76.91904
"152570"	263.068058	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"2M+2K"	77.926316
"593224"	375.120508	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"3M+2K"	77.926316
"1081018"	151.015608	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2K"	77.926316
"1109852"	303.038492	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2K+H"	78.933592
"1347332"	303.126107	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+DMSO+H"	79.021207
"1011487"	307.165276	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2ACN+H"	83.060376
"1524424"	308.158908	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+IsoProp+Na+H"	84.054008
"994966"	154.086276	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+2ACN+2H"	84.067652
"1592750"	309.073528	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+K+HCOOH"	84.968628
"1420597"	339.105038	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+H+CF3COOH"	115.000138
"1156353"	174.599551	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+3ACN+2H"	125.094202
"1702625"	356.131585	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+NH4+CF3COOH"	132.026685
"1635359"	361.08698	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+Na+CF3COOH"	136.98208
"1578305"	377.06092	"C20417"	"24-Dihydroxy-6-pentylbenzoate;Olivetolic acid"	"C12H16O4"	"224.1049"	"M+K+CF3COOH"	152.95602
"811953"	334.1376	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M"	0
"983299"	315.11921	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-H2O-H"	-19.01839
"72637"	221.751124	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M-3H"	-3.021828
"514386"	333.130324	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M-3H"	-3.021828
"886721"	110.371924	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-3H"	-3.021828
"4205"	333.130324	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M-2H"	-2.014552
"447047"	500.199124	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M-2H"	-2.014552
"822661"	166.061524	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-2H"	-2.014552
"88120"	667.267924	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M-H"	-1.007276
"527677"	1001.405524	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M-H"	-1.007276
"902198"	333.130324	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-H"	-1.007276
"55118"	684.294471	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M-2H+NH4"	16.019271
"501003"	1018.432071	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M-2H+NH4"	16.019271
"875035"	350.156871	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-2H+NH4"	16.019271
"39656"	689.249866	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M-2H+Na"	20.974666
"481402"	1023.387466	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M-2H+Na"	20.974666
"848995"	355.112266	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-2H+Na"	20.974666
"1618852"	355.112266	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Na-2H"	20.974666
"100893"	351.118663	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M-H+Cl"	33.962126
"537174"	518.187463	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M-H+Cl"	33.962126
"929602"	184.049863	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-H+Cl"	33.962126
"269977"	703.244602	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+Cl"	34.969402
"664955"	1037.382202	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+Cl"	34.969402
"1278451"	369.107002	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Cl"	34.969402
"17726"	705.223806	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M-2H+K"	36.948606
"458744"	1039.361406	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M-2H+K"	36.948606
"834360"	371.086206	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-2H+K"	36.948606
"1560767"	371.086206	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+K-2H"	36.948606
"945371"	379.135794	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-H+HCOOH"	44.998194
"362492"	713.273401	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+HCOOH-H"	44.998201
"350750"	727.289051	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+Hac-H"	59.013851
"1497397"	393.151451	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Hac-H"	59.013851
"971866"	401.117751	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-H+NaCOOH"	66.980151
"123324"	369.107002	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+2Cl"	69.938804
"561064"	536.175802	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+2Cl"	69.938804
"1034966"	202.038202	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2Cl"	69.938804
"1243972"	413.056485	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Br"	78.918885
"1306785"	415.112472	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Cl+HCOOH"	80.974872
"1321001"	437.094429	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Cl+NaCOOH"	102.956829
"916071"	447.123186	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M-H+CF3COOH"	112.985586
"1296060"	483.099864	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Cl+CF3COOH"	148.962264
"1372034"	299.124924	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H-2H2O"	-35.012676
"1386251"	317.1349	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H-H2O"	-17.0027
"289217"	669.282476	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+H"	1.007276
"676250"	1003.420076	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+H"	1.007276
"1355801"	335.144876	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H"	1.007276
"128690"	335.144876	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+2H"	2.014552
"572624"	502.213676	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+2H"	2.014552
"1043608"	168.076076	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2H"	2.014552
"214790"	223.765676	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+3H"	3.021828
"653257"	335.144876	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+3H"	3.021828
"1167009"	112.386476	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+3H"	3.021828
"432468"	686.309023	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+NH4"	18.033823
"792371"	1020.446623	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+NH4"	18.033823
"1690888"	352.171423	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+NH4"	18.033823
"335888"	343.6581495	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+H+NH4"	19.041099
"726853"	510.7269495	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+H+NH4"	19.041099
"1479943"	176.5893495	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H+NH4"	19.041099
"397895"	691.264418	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+Na"	22.989218
"758526"	1025.402018	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+Na"	22.989218
"1606258"	357.126818	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Na"	22.989218
"315687"	346.135847	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+H+Na"	23.996494
"710174"	513.204647	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+H+Na"	23.996494
"1466186"	179.067047	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H+Na"	23.996494
"1056150"	119.71379	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2H+Na"	25.00377
"1260015"	367.171086	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+CH3OH+H"	33.033486
"377777"	707.238358	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+K"	38.963158
"740317"	1041.375958	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+K"	38.963158
"1541641"	373.100758	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+K"	38.963158
"299910"	354.122817	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+H+K"	39.970434
"695618"	521.191617	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+H+K"	39.970434
"1449438"	187.054017	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H+K"	39.970434
"245703"	710.309026	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+ACN+H"	42.033826
"1223396"	376.171426	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+ACN+H"	42.033826
"1208132"	188.589351	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+ACN+2H"	43.041102
"200636"	713.24636	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+2Na-H"	44.97116
"643480"	1047.38396	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+2Na-H"	44.97116
"1146021"	379.10876	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2Na-H"	44.97116
"187728"	357.126818	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+2Na"	45.978436
"627658"	524.195618	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+2Na"	45.978436
"1130428"	190.058018	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2Na"	45.978436
"1411276"	127.041104	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H+2Na"	46.985712
"1439141"	381.150346	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H+HCOOH"	47.012746
"228835"	362.15984	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+3H2O+2H"	56.04448
"1511792"	395.20239	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+IsoProp+H"	61.06479
"411113"	365.113788	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+Na+K"	61.952376
"778671"	532.182588	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+Na+K"	61.952376
"1676096"	198.044988	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Na+K"	61.952376
"260429"	732.290968	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+ACN+Na"	64.015768
"1235326"	398.153368	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+ACN+Na"	64.015768
"1714368"	398.176893	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+NH4+HCOOH"	64.039293
"1179720"	134.368418	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+3Na"	68.967654
"1651073"	403.132288	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Na+HCOOH"	68.994688
"160853"	745.19424	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+2K-H"	76.91904
"601507"	1079.33184	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+2K-H"	76.91904
"1084926"	411.05664	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2K-H"	76.91904
"152680"	373.100758	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"2M+2K"	77.926316
"593334"	540.169558	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"3M+2K"	77.926316
"1080765"	206.031958	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2K"	77.926316
"1109962"	413.071192	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2K+H"	78.933592
"1347078"	413.158807	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+DMSO+H"	79.021207
"1012690"	417.197976	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2ACN+H"	83.060376
"1524979"	418.191608	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+IsoProp+Na+H"	84.054008
"992889"	209.102626	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+2ACN+2H"	84.067652
"1592860"	419.106228	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+K+HCOOH"	84.968628
"1420707"	449.137738	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+H+CF3COOH"	115.000138
"1156463"	229.615901	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+3ACN+2H"	125.094202
"1701642"	466.164285	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+NH4+CF3COOH"	132.026685
"1636199"	471.11968	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+Na+CF3COOH"	136.98208
"1577322"	487.09362	"C20418"	"NN-Diacetyllegionaminate"	"C13H22N2O8"	"334.1376"	"M+K+CF3COOH"	152.95602
"812063"	639.1789	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M"	0
"981222"	620.16051	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-H2O-H"	-19.01839
"73840"	425.111990666667	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M-3H"	-3.021828
"511216"	638.171624	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M-3H"	-3.021828
"886831"	212.052357333333	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-3H"	-3.021828
"5408"	638.171624	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M-2H"	-2.014552
"444967"	957.761074	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M-2H"	-2.014552
"822769"	318.582174	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-2H"	-2.014552
"84948"	1277.350524	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M-H"	-1.007276
"524507"	1916.529424	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M-H"	-1.007276
"902308"	638.171624	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-H"	-1.007276
"55591"	1294.377071	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M-2H+NH4"	16.019271
"492964"	1933.555971	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M-2H+NH4"	16.019271
"871865"	655.198171	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-2H+NH4"	16.019271
"39766"	1299.332466	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M-2H+Na"	20.974666
"478232"	1938.511366	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M-2H+Na"	20.974666
"848897"	660.153566	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-2H+Na"	20.974666
"1619123"	660.153566	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Na-2H"	20.974666
"102096"	656.159963	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M-H+Cl"	33.962126
"537284"	975.749413	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M-H+Cl"	33.962126
"931169"	336.570513	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-H+Cl"	33.962126
"268629"	1313.327202	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+Cl"	34.969402
"665063"	1952.506102	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+Cl"	34.969402
"1277465"	674.148302	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Cl"	34.969402
"22210"	1315.306406	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M-2H+K"	36.948606
"458124"	1954.485306	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M-2H+K"	36.948606
"834100"	676.127506	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-2H+K"	36.948606
"1559054"	676.127506	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+K-2H"	36.948606
"943291"	684.177094	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-H+HCOOH"	44.998194
"362965"	1323.356001	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+HCOOH-H"	44.998201
"347942"	1337.371651	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+Hac-H"	59.013851
"1493496"	698.192751	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Hac-H"	59.013851
"971611"	706.159051	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-H+NaCOOH"	66.980151
"122340"	674.148302	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+2Cl"	69.938804
"559715"	993.737752	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+2Cl"	69.938804
"1035076"	354.558852	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2Cl"	69.938804
"1242260"	718.097785	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Br"	78.918885
"1306531"	720.153772	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Cl+HCOOH"	80.974872
"1320502"	742.135729	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Cl+NaCOOH"	102.956829
"915088"	752.164486	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M-H+CF3COOH"	112.985586
"1296170"	788.141164	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Cl+CF3COOH"	148.962264
"1372144"	604.166224	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H-2H2O"	-35.012676
"1385268"	622.1762	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H-H2O"	-17.0027
"289327"	1279.365076	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+H"	1.007276
"677373"	1918.543976	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+H"	1.007276
"1357004"	640.186176	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H"	1.007276
"130987"	640.186176	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+2H"	2.014552
"571640"	959.775626	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+2H"	2.014552
"1043719"	320.596726	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2H"	2.014552
"214900"	427.126542666667	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+3H"	3.021828
"653367"	640.186176	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+3H"	3.021828
"1171494"	214.066909333333	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+3H"	3.021828
"431484"	1296.391623	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+NH4"	18.033823
"792481"	1935.570523	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+NH4"	18.033823
"1689906"	657.212723	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+NH4"	18.033823
"335998"	648.6994495	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+H+NH4"	19.041099
"727328"	968.2888995	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+H+NH4"	19.041099
"1483333"	329.1099995	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H+NH4"	19.041099
"398737"	1301.347018	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+Na"	22.989218
"759000"	1940.525918	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+Na"	22.989218
"1607826"	662.168118	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Na"	22.989218
"316405"	651.177147	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+H+Na"	23.996494
"712473"	970.766597	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+H+Na"	23.996494
"1467389"	331.587697	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H+Na"	23.996494
"1055168"	221.394223333333	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2H+Na"	25.00377
"1260127"	672.212386	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+CH3OH+H"	33.033486
"377724"	1317.320958	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+K"	38.963158
"739700"	1956.499858	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+K"	38.963158
"1540658"	678.142058	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+K"	38.963158
"302208"	659.164117	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+H+K"	39.970434
"695728"	978.753567	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+H+K"	39.970434
"1449548"	339.574667	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H+K"	39.970434
"245813"	1320.391626	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+ACN+H"	42.033826
"1223991"	681.212726	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+ACN+H"	42.033826
"1208484"	341.110001	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+ACN+2H"	43.041102
"200381"	1323.32896	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+2Na-H"	44.97116
"643590"	1962.50786	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+2Na-H"	44.97116
"1145158"	684.15006	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2Na-H"	44.97116
"187474"	662.168118	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+2Na"	45.978436
"627158"	981.757568	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+2Na"	45.978436
"1127983"	342.578668	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2Na"	45.978436
"1407134"	228.721537333333	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H+2Na"	46.985712
"1437064"	686.191646	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H+HCOOH"	47.012746
"225665"	667.20114	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+3H2O+2H"	56.04448
"1511538"	700.24369	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+IsoProp+H"	61.06479
"412314"	670.155088	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+Na+K"	61.952376
"778781"	989.744538	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+Na+K"	61.952376
"1675112"	350.565638	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Na+K"	61.952376
"261632"	1342.373568	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+ACN+Na"	64.015768
"1234342"	703.194668	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+ACN+Na"	64.015768
"1714478"	703.218193	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+NH4+HCOOH"	64.039293
"1179467"	236.048851333333	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+3Na"	68.967654
"1650046"	708.173588	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Na+HCOOH"	68.994688
"159868"	1355.27684	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+2K-H"	76.91904
"598336"	1994.45574	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+2K-H"	76.91904
"1085036"	716.09794	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2K-H"	76.91904
"144040"	678.142058	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"2M+2K"	77.926316
"591256"	997.731508	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"3M+2K"	77.926316
"1075769"	358.552608	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2K"	77.926316
"1101566"	718.112492	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2K+H"	78.933592
"1344270"	718.200107	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+DMSO+H"	79.021207
"1011706"	722.239276	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2ACN+H"	83.060376
"1526550"	723.232908	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+IsoProp+Na+H"	84.054008
"991905"	361.623276	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+2ACN+2H"	84.067652
"1587036"	724.147528	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+K+HCOOH"	84.968628
"1420817"	754.179038	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+H+CF3COOH"	115.000138
"1151106"	382.136551	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+3ACN+2H"	125.094202
"1697498"	771.205585	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+NH4+CF3COOH"	132.026685
"1637402"	776.16098	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+Na+CF3COOH"	136.98208
"1577432"	792.13492	"C20419"	"CMP-NN-diacetyllegionaminate"	"C22H34N5O15P"	"639.1789"	"M+K+CF3COOH"	152.95602
"812173"	846.6655	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M"	0
"987894"	827.64711	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H2O-H"	-19.01839
"76137"	563.436390666667	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-3H"	-3.021828
"511327"	845.658224	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-3H"	-3.021828
"885848"	281.214557333333	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-3H"	-3.021828
"4425"	845.658224	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H"	-2.014552
"447266"	1268.990974	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H"	-2.014552
"822880"	422.325474	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H"	-2.014552
"82872"	1692.323724	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-H"	-1.007276
"524617"	2538.989224	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-H"	-1.007276
"902418"	845.658224	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H"	-1.007276
"54608"	1709.350271	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+NH4"	16.019271
"491981"	2556.015771	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+NH4"	16.019271
"872340"	862.684771	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+NH4"	16.019271
"39876"	1714.305666	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+Na"	20.974666
"480529"	2560.971166	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+Na"	20.974666
"848629"	867.640166	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+Na"	20.974666
"1620210"	867.640166	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na-2H"	20.974666
"98926"	863.646563	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-H+Cl"	33.962126
"537394"	1286.979313	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-H+Cl"	33.962126
"928362"	440.313813	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+Cl"	33.962126
"271656"	1728.300402	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Cl"	34.969402
"665173"	2574.965902	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Cl"	34.969402
"1276481"	881.634902	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl"	34.969402
"23414"	1730.279606	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M-2H+K"	36.948606
"458964"	2576.945106	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M-2H+K"	36.948606
"835304"	883.614106	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-2H+K"	36.948606
"1556850"	883.614106	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K-2H"	36.948606
"944496"	891.663694	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+HCOOH"	44.998194
"363070"	1738.329201	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+HCOOH-H"	44.998201
"347689"	1752.344851	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Hac-H"	59.013851
"1494334"	905.679351	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Hac-H"	59.013851
"968440"	913.645651	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+NaCOOH"	66.980151
"120627"	881.634902	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Cl"	69.938804
"560190"	1304.967652	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Cl"	69.938804
"1035915"	458.302152	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Cl"	69.938804
"1242127"	925.584385	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Br"	78.918885
"1311015"	927.640372	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+HCOOH"	80.974872
"1320247"	949.622329	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+NaCOOH"	102.956829
"917384"	959.651086	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M-H+CF3COOH"	112.985586
"1297373"	995.627764	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Cl+CF3COOH"	148.962264
"1372254"	811.652824	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H-2H2O"	-35.012676
"1386471"	829.6628	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H-H2O"	-17.0027
"289437"	1694.338276	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H"	1.007276
"676754"	2541.003776	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H"	1.007276
"1354928"	847.672776	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H"	1.007276
"135471"	847.672776	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2H"	2.014552
"573937"	1271.005526	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2H"	2.014552
"1044924"	424.340026	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2H"	2.014552
"213917"	565.450942666667	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+3H"	3.021828
"652384"	847.672776	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+3H"	3.021828
"1170511"	283.229109333333	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3H"	3.021828
"430501"	1711.364823	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+NH4"	18.033823
"792592"	2558.030323	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+NH4"	18.033823
"1691110"	864.699323	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4"	18.033823
"338295"	856.1860495	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+NH4"	19.041099
"728531"	1279.5187995	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+NH4"	19.041099
"1483443"	432.8532995	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+NH4"	19.041099
"395565"	1716.320218	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Na"	22.989218
"757653"	2562.985718	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Na"	22.989218
"1606844"	869.654718	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na"	22.989218
"317972"	858.663747	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+Na"	23.996494
"712581"	1281.996497	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+Na"	23.996494
"1466406"	435.330997	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+Na"	23.996494
"1053694"	290.556423333333	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2H+Na"	25.00377
"1258050"	879.698986	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+CH3OH+H"	33.033486
"382093"	1732.294158	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+K"	38.963158
"739079"	2578.959658	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+K"	38.963158
"1540766"	885.628658	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K"	38.963158
"302318"	866.650717	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+H+K"	39.970434
"691822"	1289.983467	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+H+K"	39.970434
"1448556"	443.317967	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+K"	39.970434
"243737"	1735.364826	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+ACN+H"	42.033826
"1222644"	888.699326	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+H"	42.033826
"1205799"	444.853301	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+2H"	43.041102
"200856"	1738.30216	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Na-H"	44.97116
"641144"	2584.96766	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Na-H"	44.97116
"1145746"	891.63666	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Na-H"	44.97116
"187341"	869.654718	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2Na"	45.978436
"627267"	1292.987468	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2Na"	45.978436
"1128093"	446.321968	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2Na"	45.978436
"1405057"	297.883737333333	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+2Na"	46.985712
"1438267"	893.678246	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+HCOOH"	47.012746
"226866"	874.68774	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+3H2O+2H"	56.04448
"1510554"	907.73029	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+IsoProp+H"	61.06479
"409752"	877.641688	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+Na+K"	61.952376
"774517"	1300.974438	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+Na+K"	61.952376
"1670849"	454.308938	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+K"	61.952376
"260650"	1757.346768	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+ACN+Na"	64.015768
"1232265"	910.681268	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+ACN+Na"	64.015768
"1712899"	910.704793	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4+HCOOH"	64.039293
"1178923"	305.211051333333	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3Na"	68.967654
"1652022"	915.660188	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+HCOOH"	68.994688
"159978"	1770.25004	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2K-H"	76.91904
"598928"	2616.91554	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2K-H"	76.91904
"1086236"	923.58454	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K-H"	76.91904
"143053"	885.628658	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"2M+2K"	77.926316
"582857"	1308.961408	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"3M+2K"	77.926316
"1078066"	462.295908	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K"	77.926316
"1100579"	925.599092	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2K+H"	78.933592
"1342194"	925.686707	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+DMSO+H"	79.021207
"1006102"	929.725876	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2ACN+H"	83.060376
"1525567"	930.719508	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+IsoProp+Na+H"	84.054008
"990553"	465.366576	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+2ACN+2H"	84.067652
"1587848"	931.634128	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K+HCOOH"	84.968628
"1415460"	961.665638	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+H+CF3COOH"	115.000138
"1148300"	485.879851	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+3ACN+2H"	125.094202
"1697729"	978.692185	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+NH4+CF3COOH"	132.026685
"1635689"	983.64758	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+Na+CF3COOH"	136.98208
"1577542"	999.62152	"C20420"	"tritransheptacis-Undecaprenyl phosphate"	"C55H91O4P"	"846.6655"	"M+K+CF3COOH"	152.95602
"804628"	1154.7428	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M"	0
"986911"	1135.72441	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-H2O-H"	-19.01839
"75154"	768.821257333333	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M-3H"	-3.021828
"508157"	1153.735524	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M-3H"	-3.021828
"885958"	383.906990666667	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-3H"	-3.021828
"4535"	1153.735524	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M-2H"	-2.014552
"444096"	1731.106924	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M-2H"	-2.014552
"822990"	576.364124	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-2H"	-2.014552
"82982"	2308.478324	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M-H"	-1.007276
"524727"	3463.221124	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M-H"	-1.007276
"900342"	1153.735524	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-H"	-1.007276
"54718"	2325.504871	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M-2H+NH4"	16.019271
"492091"	3480.247671	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M-2H+NH4"	16.019271
"873178"	1170.762071	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-2H+NH4"	16.019271
"44725"	2330.460266	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M-2H+Na"	20.974666
"481368"	3485.203066	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M-2H+Na"	20.974666
"850784"	1175.717466	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-2H+Na"	20.974666
"1621412"	1175.717466	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Na-2H"	20.974666
"96241"	1171.723863	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M-H+Cl"	33.962126
"536411"	1749.095263	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M-H+Cl"	33.962126
"930295"	594.352463	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-H+Cl"	33.962126
"269945"	2344.455002	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+Cl"	34.969402
"664192"	3499.197802	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+Cl"	34.969402
"1277685"	1189.712202	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Cl"	34.969402
"23524"	2346.434206	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M-2H+K"	36.948606
"459805"	3501.177006	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M-2H+K"	36.948606
"835781"	1191.691406	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-2H+K"	36.948606
"1557202"	1191.691406	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+K-2H"	36.948606
"944606"	1199.740994	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-H+HCOOH"	44.998194
"362936"	2354.483801	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+HCOOH-H"	44.998201
"347799"	2368.499451	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+Hac-H"	59.013851
"1493835"	1213.756651	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Hac-H"	59.013851
"967457"	1221.722951	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-H+NaCOOH"	66.980151
"121467"	1189.712202	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+2Cl"	69.938804
"561029"	1767.083602	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+2Cl"	69.938804
"1033472"	612.340802	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2Cl"	69.938804
"1247583"	1233.661685	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Br"	78.918885
"1313312"	1235.717672	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Cl+HCOOH"	80.974872
"1322060"	1257.699629	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Cl+NaCOOH"	102.956829
"920774"	1267.728386	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M-H+CF3COOH"	112.985586
"1296390"	1303.705064	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Cl+CF3COOH"	148.962264
"1373457"	1119.730124	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H-2H2O"	-35.012676
"1386581"	1137.7401	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H-H2O"	-17.0027
"289546"	2310.492876	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+H"	1.007276
"678687"	3465.235676	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+H"	1.007276
"1352851"	1155.750076	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H"	1.007276
"129021"	1155.750076	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+2H"	2.014552
"570767"	1733.121476	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+2H"	2.014552
"1045034"	578.378676	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2H"	2.014552
"215121"	770.835809333333	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+3H"	3.021828
"650308"	1155.750076	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+3H"	3.021828
"1172808"	385.921542666667	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+3H"	3.021828
"431707"	2327.519423	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+NH4"	18.033823
"789421"	3482.262223	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+NH4"	18.033823
"1689033"	1172.776623	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+NH4"	18.033823
"338407"	1164.2633495	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+H+NH4"	19.041099
"728640"	1741.6347495	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+H+NH4"	19.041099
"1485743"	586.8919495	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H+NH4"	19.041099
"399318"	2332.474818	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+Na"	22.989218
"761042"	3487.217618	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+Na"	22.989218
"1611327"	1177.732018	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Na"	22.989218
"322457"	1166.741047	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+H+Na"	23.996494
"714878"	1744.112447	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+H+Na"	23.996494
"1466513"	589.369647	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H+Na"	23.996494
"1053928"	393.248856666667	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2H+Na"	25.00377
"1259253"	1187.776286	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+CH3OH+H"	33.033486
"380017"	2348.448758	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+K"	38.963158
"739066"	3503.191558	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+K"	38.963158
"1540995"	1193.705958	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+K"	38.963158
"299872"	1174.728017	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+H+K"	39.970434
"692175"	1752.099417	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+H+K"	39.970434
"1449761"	597.356617	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H+K"	39.970434
"237280"	2351.519426	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+ACN+H"	42.033826
"1221661"	1196.776626	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+ACN+H"	42.033826
"1208825"	598.891951	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+ACN+2H"	43.041102
"202789"	2354.45676	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+2Na-H"	44.97116
"638339"	3509.19956	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+2Na-H"	44.97116
"1144763"	1199.71396	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2Na-H"	44.97116
"187933"	1177.732018	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+2Na"	45.978436
"627978"	1755.103418	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+2Na"	45.978436
"1124923"	600.360618	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2Na"	45.978436
"1409540"	400.576170666667	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H+2Na"	46.985712
"1437283"	1201.755546	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H+HCOOH"	47.012746
"223697"	1182.76504	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+3H2O+2H"	56.04448
"1510664"	1215.80759	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+IsoProp+H"	61.06479
"412534"	1185.718988	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+Na+K"	61.952376
"774627"	1763.090388	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+Na+K"	61.952376
"1670959"	608.347588	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Na+K"	61.952376
"258572"	2373.501368	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+ACN+Na"	64.015768
"1234562"	1218.758568	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+ACN+Na"	64.015768
"1713846"	1218.782093	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+NH4+HCOOH"	64.039293
"1178834"	407.903484666667	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+3Na"	68.967654
"1654318"	1223.737488	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Na+HCOOH"	68.994688
"159357"	2386.40464	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+2K-H"	76.91904
"600740"	3541.14744	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+2K-H"	76.91904
"1087441"	1231.66184	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2K-H"	76.91904
"144983"	1193.705958	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"2M+2K"	77.926316
"583820"	1771.077358	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"3M+2K"	77.926316
"1073803"	616.334558	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2K"	77.926316
"1101785"	1233.676392	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2K+H"	78.933592
"1337929"	1233.764007	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+DMSO+H"	79.021207
"1007548"	1237.803176	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2ACN+H"	83.060376
"1525189"	1238.796808	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+IsoProp+Na+H"	84.054008
"990420"	619.405226	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+2ACN+2H"	84.067652
"1588448"	1239.711428	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+K+HCOOH"	84.968628
"1414834"	1269.742938	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+H+CF3COOH"	115.000138
"1148167"	639.918501	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+3ACN+2H"	125.094202
"1697718"	1286.769485	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+NH4+CF3COOH"	132.026685
"1635434"	1291.72488	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+Na+CF3COOH"	136.98208
"1577652"	1307.69882	"C20421"	"NN-Diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C65H108N2O11P2"	"1154.7428"	"M+K+CF3COOH"	152.95602
"805831"	467.9389	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M"	0
"988843"	448.92051	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-H2O-H"	-19.01839
"78521"	310.951990666667	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M-3H"	-3.021828
"513734"	466.931624	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M-3H"	-3.021828
"889349"	154.972357333333	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-3H"	-3.021828
"5739"	466.931624	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M-2H"	-2.014552
"444203"	700.901074	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M-2H"	-2.014552
"820910"	232.962174	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-2H"	-2.014552
"80902"	934.870524	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M-H"	-1.007276
"519490"	1402.809424	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M-H"	-1.007276
"900452"	466.931624	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-H"	-1.007276
"52640"	951.897071	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M-2H+NH4"	16.019271
"487825"	1419.835971	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M-2H+NH4"	16.019271
"864654"	483.958171	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-2H+NH4"	16.019271
"31826"	956.852466	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M-2H+Na"	20.974666
"482936"	1424.791366	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M-2H+Na"	20.974666
"849803"	488.913566	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-2H+Na"	20.974666
"1619701"	488.913566	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Na-2H"	20.974666
"96959"	484.919963	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M-H+Cl"	33.962126
"536521"	718.889413	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M-H+Cl"	33.962126
"934411"	250.950513	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-H+Cl"	33.962126
"270786"	970.847202	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+Cl"	34.969402
"663206"	1438.786102	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+Cl"	34.969402
"1275608"	502.908302	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Cl"	34.969402
"21445"	972.826406	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M-2H+K"	36.948606
"461005"	1440.765306	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M-2H+K"	36.948606
"835529"	504.887506	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-2H+K"	36.948606
"1556831"	504.887506	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+K-2H"	36.948606
"946904"	512.937094	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-H+HCOOH"	44.998194
"361832"	980.876001	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+HCOOH-H"	44.998201
"350095"	994.891651	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+Hac-H"	59.013851
"1497835"	526.952751	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Hac-H"	59.013851
"968660"	534.919051	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-H+NaCOOH"	66.980151
"123764"	502.908302	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+2Cl"	69.938804
"562597"	736.877752	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+2Cl"	69.938804
"1032489"	268.938852	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2Cl"	69.938804
"1247693"	546.857785	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Br"	78.918885
"1313422"	548.913772	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Cl+HCOOH"	80.974872
"1323263"	570.895729	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Cl+NaCOOH"	102.956829
"917604"	580.924486	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M-H+CF3COOH"	112.985586
"1297593"	616.901164	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Cl+CF3COOH"	148.962264
"1374661"	432.926224	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H-2H2O"	-35.012676
"1395439"	450.9362	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H-H2O"	-17.0027
"290751"	936.885076	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+H"	1.007276
"680984"	1404.823976	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+H"	1.007276
"1357335"	468.946176	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H"	1.007276
"132411"	468.946176	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+2H"	2.014552
"578167"	702.915626	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+2H"	2.014552
"1052694"	234.976726	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2H"	2.014552
"218148"	312.966542666667	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+3H"	3.021828
"657346"	468.946176	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+3H"	3.021828
"1174011"	156.986909333333	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+3H"	3.021828
"438743"	953.911623	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+NH4"	18.033823
"797188"	1421.850523	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+NH4"	18.033823
"1695340"	485.972723	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+NH4"	18.033823
"342528"	477.4594495	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+H+NH4"	19.041099
"732032"	711.4288995	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+H+NH4"	19.041099
"1489862"	243.4899995	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H+NH4"	19.041099
"404529"	958.867018	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+Na"	22.989218
"766619"	1426.805918	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+Na"	22.989218
"1614718"	490.928118	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Na"	22.989218
"324754"	479.937147	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+H+Na"	23.996494
"717175"	713.906597	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+H+Na"	23.996494
"1468811"	245.967697	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H+Na"	23.996494
"1055860"	164.314223333333	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2H+Na"	25.00377
"1261549"	500.972386	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+CH3OH+H"	33.033486
"381221"	974.840958	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+K"	38.963158
"739421"	1442.779858	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+K"	38.963158
"1543174"	506.902058	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+K"	38.963158
"304725"	487.924117	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+H+K"	39.970434
"694229"	721.893567	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+H+K"	39.970434
"1450966"	253.954667	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H+K"	39.970434
"242859"	977.911626	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+ACN+H"	42.033826
"1224445"	509.972726	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+ACN+H"	42.033826
"1209180"	255.490001	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+ACN+2H"	43.041102
"200712"	980.84896	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+2Na-H"	44.97116
"637355"	1448.78786	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+2Na-H"	44.97116
"1146996"	512.91006	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2Na-H"	44.97116
"185976"	490.928118	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+2Na"	45.978436
"628409"	724.897568	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+2Na"	45.978436
"1131109"	256.958668	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2Na"	45.978436
"1411836"	171.641537333333	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H+2Na"	46.985712
"1441767"	514.951646	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H+HCOOH"	47.012746
"225994"	495.96114	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+3H2O+2H"	56.04448
"1512961"	529.00369	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+IsoProp+H"	61.06479
"412644"	498.915088	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+Na+K"	61.952376
"772551"	732.884538	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+Na+K"	61.952376
"1673256"	264.945638	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Na+K"	61.952376
"261963"	999.893568	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+ACN+Na"	64.015768
"1234673"	531.954668	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+ACN+Na"	64.015768
"1714564"	531.978193	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+NH4+HCOOH"	64.039293
"1180647"	178.968851333333	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+3Na"	68.967654
"1654428"	536.933588	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Na+HCOOH"	68.994688
"163478"	1012.79684	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+2K-H"	76.91904
"600851"	1480.73574	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+2K-H"	76.91904
"1093020"	544.85794	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2K-H"	76.91904
"152022"	506.902058	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"2M+2K"	77.926316
"591582"	740.871508	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"3M+2K"	77.926316
"1072818"	272.932608	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2K"	77.926316
"1103840"	546.872492	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2K+H"	78.933592
"1338037"	546.960107	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+DMSO+H"	79.021207
"1009847"	550.999276	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2ACN+H"	83.060376
"1529067"	551.992908	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+IsoProp+Na+H"	84.054008
"995515"	276.003276	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+2ACN+2H"	84.067652
"1587706"	552.907528	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+K+HCOOH"	84.968628
"1414703"	582.939038	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+H+CF3COOH"	115.000138
"1148398"	296.516551	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+3ACN+2H"	125.094202
"1697707"	599.965585	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+NH4+CF3COOH"	132.026685
"1634571"	604.92098	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+Na+CF3COOH"	136.98208
"1578855"	620.89492	"C20422"	"alpha-D-Ribose 1-methylphosphonate 5-triphosphate"	"C6H16O16P4"	"467.9389"	"M+K+CF3COOH"	152.95602
"810316"	308.0062	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M"	0
"987864"	288.98781	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-H2O-H"	-19.01839
"72093"	204.330190666667	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M-3H"	-3.021828
"513480"	306.998924	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M-3H"	-3.021828
"883992"	101.661457333333	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-3H"	-3.021828
"5849"	306.998924	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M-2H"	-2.014552
"441033"	461.002024	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M-2H"	-2.014552
"819927"	152.995824	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-2H"	-2.014552
"81015"	615.005124	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M-H"	-1.007276
"518745"	923.011324	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M-H"	-1.007276
"899469"	306.998924	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-H"	-1.007276
"54938"	632.031671	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M-2H+NH4"	16.019271
"491217"	940.037871	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M-2H+NH4"	16.019271
"864519"	324.025471	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-2H+NH4"	16.019271
"32299"	636.987066	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M-2H+Na"	20.974666
"476483"	944.993266	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M-2H+Na"	20.974666
"849912"	328.980866	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-2H+Na"	20.974666
"1624913"	328.980866	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Na-2H"	20.974666
"94716"	324.987263	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M-H+Cl"	33.962126
"536991"	478.990363	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M-H+Cl"	33.962126
"934521"	170.984163	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-H+Cl"	33.962126
"268345"	650.981802	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+Cl"	34.969402
"664411"	958.988002	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+Cl"	34.969402
"1281190"	342.975602	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Cl"	34.969402
"19368"	652.961006	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M-2H+K"	36.948606
"458930"	960.967206	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M-2H+K"	36.948606
"836732"	344.954806	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-2H+K"	36.948606
"1555658"	344.954806	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+K-2H"	36.948606
"943732"	353.004394	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-H+HCOOH"	44.998194
"361593"	661.010601	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+HCOOH-H"	44.998201
"348019"	675.026251	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+Hac-H"	59.013851
"1497945"	367.020051	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Hac-H"	59.013851
"969863"	374.986351	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-H+NaCOOH"	66.980151
"123145"	342.975602	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+2Cl"	69.938804
"559427"	496.978702	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+2Cl"	69.938804
"1031506"	188.972502	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2Cl"	69.938804
"1248897"	386.925085	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Br"	78.918885
"1312439"	388.981072	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Cl+HCOOH"	80.974872
"1326655"	410.963029	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Cl+NaCOOH"	102.956829
"919901"	420.991786	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M-H+CF3COOH"	112.985586
"1296610"	456.968464	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Cl+CF3COOH"	148.962264
"1375865"	272.993524	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H-2H2O"	-35.012676
"1394456"	291.0035	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H-H2O"	-17.0027
"289768"	617.019676	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+H"	1.007276
"686560"	925.025876	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+H"	1.007276
"1363641"	309.013476	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H"	1.007276
"132521"	309.013476	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+2H"	2.014552
"574268"	463.016576	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+2H"	2.014552
"1052180"	155.010376	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2H"	2.014552
"217894"	206.344742666667	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+3H"	3.021828
"654903"	309.013476	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+3H"	3.021828
"1173030"	103.676009333333	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+3H"	3.021828
"436301"	634.046223	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+NH4"	18.033823
"794017"	942.052423	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+NH4"	18.033823
"1692534"	326.040023	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+NH4"	18.033823
"337535"	317.5267495	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+H+NH4"	19.041099
"732144"	471.5298495	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+H+NH4"	19.041099
"1488878"	163.5236495	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H+NH4"	19.041099
"402454"	639.001618	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+Na"	22.989218
"761262"	947.007818	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+Na"	22.989218
"1611548"	330.995418	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Na"	22.989218
"322679"	320.004447	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+H+Na"	23.996494
"718380"	474.007547	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+H+Na"	23.996494
"1467826"	166.001347	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H+Na"	23.996494
"1055605"	111.003323333333	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2H+Na"	25.00377
"1260563"	341.039686	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+CH3OH+H"	33.033486
"378776"	654.975558	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+K"	38.963158
"741232"	962.981758	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+K"	38.963158
"1543284"	346.969358	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+K"	38.963158
"300461"	327.991417	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+H+K"	39.970434
"692883"	481.994517	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+H+K"	39.970434
"1448891"	173.988317	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H+K"	39.970434
"241876"	658.046226	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+ACN+H"	42.033826
"1224797"	350.040026	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+ACN+H"	42.033826
"1209819"	175.523651	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+ACN+2H"	43.041102
"200822"	660.98356	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+2Na-H"	44.97116
"637465"	968.98976	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+2Na-H"	44.97116
"1147046"	352.97736	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2Na-H"	44.97116
"188031"	330.995418	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+2Na"	45.978436
"628505"	484.998518	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+2Na"	45.978436
"1130611"	176.992318	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2Na"	45.978436
"1411946"	118.330637333333	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H+2Na"	46.985712
"1441877"	355.018946	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H+HCOOH"	47.012746
"225011"	336.02844	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+3H2O+2H"	56.04448
"1510884"	369.07099	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+IsoProp+H"	61.06479
"412755"	338.982388	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+Na+K"	61.952376
"772661"	492.985488	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+Na+K"	61.952376
"1670086"	184.979288	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Na+K"	61.952376
"259886"	680.028168	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+ACN+Na"	64.015768
"1238063"	372.021968	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+ACN+Na"	64.015768
"1714918"	372.045493	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+NH4+HCOOH"	64.039293
"1182460"	125.657951333333	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+3Na"	68.967654
"1653445"	377.000888	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Na+HCOOH"	68.994688
"160308"	692.93144	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+2K-H"	76.91904
"602056"	1000.93764	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+2K-H"	76.91904
"1092037"	384.92524	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2K-H"	76.91904
"152132"	346.969358	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"2M+2K"	77.926316
"588413"	500.972458	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"3M+2K"	77.926316
"1071835"	192.966258	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2K"	77.926316
"1105044"	386.939792	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2K+H"	78.933592
"1343616"	387.027407	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+DMSO+H"	79.021207
"1008863"	391.066576	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2ACN+H"	83.060376
"1530271"	392.060208	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+IsoProp+Na+H"	84.054008
"995625"	196.036926	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+2ACN+2H"	84.067652
"1588305"	392.974828	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+K+HCOOH"	84.968628
"1414936"	423.006338	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+H+CF3COOH"	115.000138
"1148265"	216.550201	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+3ACN+2H"	125.094202
"1697817"	440.032885	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+NH4+CF3COOH"	132.026685
"1634438"	444.98828	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+Na+CF3COOH"	136.98208
"1574591"	460.96222	"C20423"	"alpha-D-Ribose 1-methylphosphonate 5-phosphate"	"C6H14O10P2"	"308.0062"	"M+K+CF3COOH"	152.95602
"810426"	246.1216	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M"	0
"988336"	227.10321	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-H2O-H"	-19.01839
"72203"	163.073790666667	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M-3H"	-3.021828
"516749"	245.114324	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M-3H"	-3.021828
"884102"	81.0332573333333	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-3H"	-3.021828
"9239"	245.114324	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M-2H"	-2.014552
"441507"	368.175124	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M-2H"	-2.014552
"820037"	122.053524	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-2H"	-2.014552
"82218"	491.235924	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M-H"	-1.007276
"519097"	737.357524	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M-H"	-1.007276
"898486"	245.114324	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-H"	-1.007276
"53955"	508.262471	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M-2H+NH4"	16.019271
"493514"	754.384071	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M-2H+NH4"	16.019271
"866941"	262.140871	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-2H+NH4"	16.019271
"32897"	513.217866	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M-2H+Na"	20.974666
"476593"	759.339466	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M-2H+Na"	20.974666
"852209"	267.096266	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-2H+Na"	20.974666
"1625023"	267.096266	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Na-2H"	20.974666
"97541"	263.102663	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M-H+Cl"	33.962126
"543297"	386.163463	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M-H+Cl"	33.962126
"935724"	140.041863	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-H+Cl"	33.962126
"278660"	527.212602	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+Cl"	34.969402
"666708"	773.334202	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+Cl"	34.969402
"1278020"	281.091002	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Cl"	34.969402
"19476"	529.191806	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M-2H+K"	36.948606
"459039"	775.313406	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M-2H+K"	36.948606
"835017"	283.070206	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-2H+K"	36.948606
"1558137"	283.070206	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+K-2H"	36.948606
"944565"	291.119794	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-H+HCOOH"	44.998194
"361845"	537.241401	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+HCOOH-H"	44.998201
"347391"	551.257051	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+Hac-H"	59.013851
"1499148"	305.135451	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Hac-H"	59.013851
"967787"	313.101751	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-H+NaCOOH"	66.980151
"123620"	281.091002	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+2Cl"	69.938804
"560630"	404.151802	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+2Cl"	69.938804
"1032709"	158.030202	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2Cl"	69.938804
"1247912"	325.040485	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Br"	78.918885
"1312548"	327.096472	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Cl+HCOOH"	80.974872
"1325671"	349.078429	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Cl+NaCOOH"	102.956829
"918917"	359.107186	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M-H+CF3COOH"	112.985586
"1296720"	395.083864	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Cl+CF3COOH"	148.962264
"1375975"	211.108924	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H-2H2O"	-35.012676
"1388005"	229.1189	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H-H2O"	-17.0027
"290971"	493.250476	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+H"	1.007276
"687764"	739.372076	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+H"	1.007276
"1360836"	247.128876	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H"	1.007276
"132631"	247.128876	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+2H"	2.014552
"572192"	370.189676	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+2H"	2.014552
"1051925"	124.068076	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2H"	2.014552
"216546"	165.088342666667	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+3H"	3.021828
"652827"	247.128876	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+3H"	3.021828
"1175327"	83.0478093333333	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+3H"	3.021828
"433131"	510.277023	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+NH4"	18.033823
"795221"	756.398623	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+NH4"	18.033823
"1694831"	264.155423	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+NH4"	18.033823
"340924"	255.6421495	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+H+NH4"	19.041099
"732253"	378.7029495	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+H+NH4"	19.041099
"1491540"	132.5813495	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H+NH4"	19.041099
"397463"	515.232418	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+Na"	22.989218
"763561"	761.354018	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+Na"	22.989218
"1612752"	269.110818	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Na"	22.989218
"323883"	258.119847	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+H+Na"	23.996494
"715208"	381.180647	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+H+Na"	23.996494
"1469029"	135.059047	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H+Na"	23.996494
"1056809"	90.3751233333333	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2H+Na"	25.00377
"1260673"	279.155086	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+CH3OH+H"	33.033486
"378644"	531.206358	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+K"	38.963158
"743529"	777.327958	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+K"	38.963158
"1545580"	285.084758	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+K"	38.963158
"303851"	266.106817	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+H+K"	39.970434
"696274"	389.167617	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+H+K"	39.970434
"1452281"	143.046017	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H+K"	39.970434
"239793"	534.277026	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+ACN+H"	42.033826
"1224543"	288.155426	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+ACN+H"	42.033826
"1208676"	144.581351	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+ACN+2H"	43.041102
"201661"	537.21436	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+2Na-H"	44.97116
"638668"	783.33596	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+2Na-H"	44.97116
"1146556"	291.09276	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2Na-H"	44.97116
"187291"	269.110818	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+2Na"	45.978436
"626487"	392.171618	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+2Na"	45.978436
"1130114"	146.050018	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2Na"	45.978436
"1411333"	97.7024373333333	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H+2Na"	46.985712
"1439800"	293.134346	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H+HCOOH"	47.012746
"229493"	274.14384	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+3H2O+2H"	56.04448
"1511358"	307.18639	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+IsoProp+H"	61.06479
"412867"	277.097788	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+Na+K"	61.952376
"773864"	400.158588	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+Na+K"	61.952376
"1672383"	154.036988	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Na+K"	61.952376
"259996"	556.258968	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+ACN+Na"	64.015768
"1232707"	310.137368	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+ACN+Na"	64.015768
"1719400"	310.160893	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+NH4+HCOOH"	64.039293
"1184756"	105.029751333333	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+3Na"	68.967654
"1655740"	315.116288	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Na+HCOOH"	68.994688
"163696"	569.16224	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+2K-H"	76.91904
"605445"	815.28384	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+2K-H"	76.91904
"1092147"	323.04064	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2K-H"	76.91904
"151879"	285.084758	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"2M+2K"	77.926316
"591803"	408.145558	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"3M+2K"	77.926316
"1070850"	162.023958	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2K"	77.926316
"1101873"	325.055192	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2K+H"	78.933592
"1339352"	325.142807	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+DMSO+H"	79.021207
"1008972"	329.181976	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2ACN+H"	83.060376
"1529286"	330.175608	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+IsoProp+Na+H"	84.054008
"993546"	165.094626	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+2ACN+2H"	84.067652
"1588291"	331.090228	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+K+HCOOH"	84.968628
"1414800"	361.121738	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+H+CF3COOH"	115.000138
"1148375"	185.607901	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+3ACN+2H"	125.094202
"1697051"	378.148285	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+NH4+CF3COOH"	132.026685
"1634667"	383.10368	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+Na+CF3COOH"	136.98208
"1572514"	399.07762	"C20424"	"24-Diacetamido-246-trideoxy-D-mannopyranose;24-Diacetamido-246-trideoxy-alpha-D-mannopyranose"	"C10H18N2O5"	"246.1216"	"M+K+CF3COOH"	152.95602
"816371"	152.1201	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M"	0
"988448"	133.10171	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"78271"	100.406124	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"511879"	151.112824	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"888588"	49.699424	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"7163"	151.112824	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"444533"	227.172874	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"824521"	75.052774	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"84514"	303.232924	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"525169"	455.353024	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"900784"	151.112824	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"59533"	320.259471	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"497999"	472.379571	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"866321"	168.139371	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"31664"	325.214866	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"482172"	477.334966	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"853412"	173.094766	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1628412"	173.094766	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"104940"	169.101163	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"547418"	245.161213	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"935834"	93.041113	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"279865"	339.209602	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"666819"	491.329702	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1278130"	187.089502	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"18857"	341.188806	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"459150"	493.308906	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"834399"	189.068706	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1558249"	189.068706	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"943018"	197.118294	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"362891"	349.238401	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"347503"	363.254051	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1502538"	211.133951	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"969356"	219.100251	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"124095"	187.089502	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"558552"	263.149552	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1035007"	111.029452	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1253857"	231.038985	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1313751"	233.094972	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1327968"	255.076929	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"924860"	265.105686	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1301934"	301.082364	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1380459"	117.107424	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1394675"	135.1174	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"294360"	305.247476	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"686782"	457.367576	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1366700"	153.127376	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H"	1.007276
"133835"	153.127376	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"573396"	229.187426	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1045475"	77.067326	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"217752"	102.420676	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"657312"	153.127376	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1176896"	51.713976	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"438346"	322.274023	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"795332"	474.394123	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1693848"	170.153923	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"341400"	161.6406495	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"734551"	237.7006995	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1488370"	85.5805995	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"399395"	327.229418	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"763671"	479.349518	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1612862"	175.109318	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"325086"	164.118347	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"713133"	240.178397	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1465862"	88.058297	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1056918"	59.04129	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1262972"	185.153586	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"381550"	343.203358	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"748013"	495.323458	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1545690"	191.083258	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+K"	38.963158
"309429"	172.105317	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"698571"	248.165367	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1454578"	96.045267	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"241000"	346.274026	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1219183"	194.153926	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1209267"	97.580601	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"201771"	349.21136	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"638778"	501.33146	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1146059"	197.09126	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"187037"	175.109318	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"627570"	251.169368	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1129011"	99.049268	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1412416"	66.368604	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1437724"	199.132846	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"228511"	180.14234	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1514385"	213.18489	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"415166"	183.096288	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"775069"	259.156338	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1672493"	107.036238	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"256825"	368.255968	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1232817"	216.135868	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1717327"	216.159393	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1185959"	73.695918	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1659132"	221.114788	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"165993"	381.15924	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"606649"	533.27934	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1096633"	229.03914	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"151259"	191.083258	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"588633"	267.143308	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1072055"	115.023208	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1105266"	231.053692	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1341650"	231.141307	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1009085"	235.180476	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1530492"	236.174108	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"993658"	118.093876	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1589255"	237.088728	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1417102"	267.120238	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1152130"	138.607151	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1703505"	284.146785	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1638062"	289.10218	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1578092"	305.07612	"C20425"	"beta-Cyclocitral;266-Trimethyl-1-cyclohexene-1-carbaldehyde"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"816878"	248.1049	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M"	0
"988559"	229.08651	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-H2O-H"	-19.01839
"74614"	164.395990666667	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M-3H"	-3.021828
"517456"	247.097624	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M-3H"	-3.021828
"889792"	81.6943573333333	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-3H"	-3.021828
"6179"	247.097624	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M-2H"	-2.014552
"451207"	371.150074	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M-2H"	-2.014552
"829008"	123.045174	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-2H"	-2.014552
"93010"	495.202524	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M-H"	-1.007276
"528559"	743.307424	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M-H"	-1.007276
"910983"	247.097624	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-H"	-1.007276
"61834"	512.229071	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M-2H+NH4"	16.019271
"501026"	760.333971	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M-2H+NH4"	16.019271
"877005"	264.124171	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-2H+NH4"	16.019271
"41626"	517.184466	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M-2H+Na"	20.974666
"486415"	765.289366	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M-2H+Na"	20.974666
"856805"	269.079566	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-2H+Na"	20.974666
"1630713"	269.079566	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Na-2H"	20.974666
"108942"	265.085963	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M-H+Cl"	33.962126
"543522"	389.138413	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M-H+Cl"	33.962126
"934850"	141.033513	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-H+Cl"	33.962126
"278882"	531.179202	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+Cl"	34.969402
"664743"	779.284102	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+Cl"	34.969402
"1275323"	283.074302	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Cl"	34.969402
"26263"	533.158406	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M-2H+K"	36.948606
"458168"	781.263306	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M-2H+K"	36.948606
"835237"	285.053506	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-2H+K"	36.948606
"1556663"	285.053506	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+K-2H"	36.948606
"944427"	293.103094	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-H+HCOOH"	44.998194
"363371"	541.208001	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+HCOOH-H"	44.998201
"349443"	555.223651	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+Hac-H"	59.013851
"1502651"	307.118751	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Hac-H"	59.013851
"970924"	315.085051	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-H+NaCOOH"	66.980151
"123110"	283.074302	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+2Cl"	69.938804
"560849"	407.126752	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+2Cl"	69.938804
"1035848"	159.021852	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2Cl"	69.938804
"1254695"	327.023785	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Br"	78.918885
"1316050"	329.079772	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Cl+HCOOH"	80.974872
"1334276"	351.061729	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Cl+NaCOOH"	102.956829
"921326"	361.090486	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M-H+CF3COOH"	112.985586
"1302894"	397.067164	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Cl+CF3COOH"	148.962264
"1379478"	213.092224	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H-2H2O"	-35.012676
"1393693"	231.1022	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H-H2O"	-17.0027
"292286"	497.217076	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+H"	1.007276
"689078"	745.321976	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+H"	1.007276
"1364701"	249.112176	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H"	1.007276
"140995"	249.112176	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+2H"	2.014552
"580435"	373.164626	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+2H"	2.014552
"1049959"	125.059726	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2H"	2.014552
"218590"	166.410542666667	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+3H"	3.021828
"657788"	249.112176	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+3H"	3.021828
"1173363"	83.7089093333333	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+3H"	3.021828
"437002"	514.243623	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+NH4"	18.033823
"798361"	762.348523	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+NH4"	18.033823
"1694690"	266.138723	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+NH4"	18.033823
"342968"	257.6254495	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+H+NH4"	19.041099
"733567"	381.6778995	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+H+NH4"	19.041099
"1486295"	133.5729995	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H+NH4"	19.041099
"401694"	519.199018	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+Na"	22.989218
"767060"	767.303918	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+Na"	22.989218
"1616252"	271.094118	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Na"	22.989218
"318635"	260.103147	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+H+Na"	23.996494
"713243"	384.155597	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+H+Na"	23.996494
"1468154"	136.050697	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H+Na"	23.996494
"1059215"	91.0362233333333	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2H+Na"	25.00377
"1266363"	281.138386	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+CH3OH+H"	33.033486
"386030"	535.172958	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+K"	38.963158
"745932"	783.277858	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+K"	38.963158
"1544706"	287.068058	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+K"	38.963158
"305164"	268.090117	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+H+K"	39.970434
"697584"	392.142567	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+H+K"	39.970434
"1453591"	144.037667	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H+K"	39.970434
"243293"	538.243626	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+ACN+H"	42.033826
"1221476"	290.138726	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+ACN+H"	42.033826
"1205360"	145.573001	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+ACN+2H"	43.041102
"203341"	541.18096	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+2Na-H"	44.97116
"643838"	789.28586	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+2Na-H"	44.97116
"1145926"	293.07606	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2Na-H"	44.97116
"187757"	271.094118	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+2Na"	45.978436
"628047"	395.146568	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+2Na"	45.978436
"1130338"	147.041668	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2Na"	45.978436
"1412644"	98.3635373333333	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H+2Na"	46.985712
"1441844"	295.117646	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H+HCOOH"	47.012746
"230807"	276.12714	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+3H2O+2H"	56.04448
"1515588"	309.16969	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+IsoProp+H"	61.06479
"415276"	279.081088	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+Na+K"	61.952376
"778461"	403.133538	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+Na+K"	61.952376
"1676978"	155.028638	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Na+K"	61.952376
"259123"	560.225568	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+ACN+Na"	64.015768
"1235113"	312.120668	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+ACN+Na"	64.015768
"1719624"	312.144193	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+NH4+HCOOH"	64.039293
"1187164"	105.690851333333	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+3Na"	68.967654
"1661429"	317.099588	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Na+HCOOH"	68.994688
"167197"	573.12884	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+2K-H"	76.91904
"603482"	821.23374	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+2K-H"	76.91904
"1089089"	325.02394	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2K-H"	76.91904
"151370"	287.068058	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"2M+2K"	77.926316
"590933"	411.120508	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"3M+2K"	77.926316
"1075445"	163.015608	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2K"	77.926316
"1105376"	327.038492	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2K+H"	78.933592
"1346130"	327.126107	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+DMSO+H"	79.021207
"1010286"	331.165276	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2ACN+H"	83.060376
"1529509"	332.158908	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+IsoProp+Na+H"	84.054008
"994859"	166.086276	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+2ACN+2H"	84.067652
"1589362"	333.073528	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+K+HCOOH"	84.968628
"1418304"	363.105038	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+H+CF3COOH"	115.000138
"1150781"	186.599551	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+3ACN+2H"	125.094202
"1700335"	380.131585	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+NH4+CF3COOH"	132.026685
"1635985"	385.08698	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+Na+CF3COOH"	136.98208
"1578202"	401.06092	"C20426"	"Mycorradicin"	"C14H16O4"	"248.1049"	"M+K+CF3COOH"	152.95602
"808568"	1357.8222	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M"	0
"989276"	1338.80381	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-H2O-H"	-19.01839
"76911"	904.207524	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M-3H"	-3.021828
"517201"	1356.814924	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M-3H"	-3.021828
"889902"	451.600124	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-3H"	-3.021828
"10663"	1356.814924	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M-2H"	-2.014552
"451317"	2035.726024	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M-2H"	-2.014552
"829118"	677.903824	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-2H"	-2.014552
"93242"	2714.637124	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M-H"	-1.007276
"527576"	4072.459324	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M-H"	-1.007276
"911174"	1356.814924	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-H"	-1.007276
"62187"	2731.663671	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M-2H+NH4"	16.019271
"501258"	4089.485871	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M-2H+NH4"	16.019271
"876022"	1373.841471	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-2H+NH4"	16.019271
"45016"	2736.619066	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M-2H+Na"	20.974666
"486525"	4094.441266	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M-2H+Na"	20.974666
"856915"	1378.796866	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-2H+Na"	20.974666
"1633982"	1378.796866	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Na-2H"	20.974666
"107350"	1374.803263	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M-H+Cl"	33.962126
"542539"	2053.714363	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M-H+Cl"	33.962126
"937147"	695.892163	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-H+Cl"	33.962126
"280086"	2750.613802	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+Cl"	34.969402
"664853"	4108.436002	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+Cl"	34.969402
"1284909"	1392.791602	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Cl"	34.969402
"18720"	2752.593006	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M-2H+K"	36.948606
"459370"	4110.415206	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M-2H+K"	36.948606
"834982"	1394.770806	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-2H+K"	36.948606
"1557016"	1394.770806	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+K-2H"	36.948606
"944172"	1402.820394	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-H+HCOOH"	44.998194
"362388"	2760.642601	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+HCOOH-H"	44.998201
"349553"	2774.658251	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+Hac-H"	59.013851
"1499481"	1416.836051	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Hac-H"	59.013851
"968117"	1424.802351	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-H+NaCOOH"	66.980151
"123951"	1392.791602	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+2Cl"	69.938804
"560959"	2071.702702	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+2Cl"	69.938804
"1036565"	713.880502	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2Cl"	69.938804
"1254804"	1436.741085	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Br"	78.918885
"1317618"	1438.797072	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Cl+HCOOH"	80.974872
"1334022"	1460.779029	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Cl+NaCOOH"	102.956829
"922529"	1470.807786	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M-H+CF3COOH"	112.985586
"1300330"	1506.784464	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Cl+CF3COOH"	148.962264
"1377399"	1322.809524	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H-2H2O"	-35.012676
"1392709"	1340.8195	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H-H2O"	-17.0027
"294583"	2716.651676	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+H"	1.007276
"688095"	4074.473876	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+H"	1.007276
"1365539"	1358.829476	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H"	1.007276
"140377"	1358.829476	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+2H"	2.014552
"579089"	2037.740576	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+2H"	2.014552
"1048976"	679.918376	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2H"	2.014552
"217974"	906.222076	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+3H"	3.021828
"658140"	1358.829476	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+3H"	3.021828
"1174567"	453.614676	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+3H"	3.021828
"437842"	2733.678223	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+NH4"	18.033823
"798836"	4091.500423	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+NH4"	18.033823
"1693706"	1375.856023	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+NH4"	18.033823
"341984"	1367.3427495	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+H+NH4"	19.041099
"731490"	2046.2538495	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+H+NH4"	19.041099
"1486404"	688.4316495	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H+NH4"	19.041099
"400708"	2738.633618	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+Na"	22.989218
"763891"	4096.455818	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+Na"	22.989218
"1611990"	1380.811418	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Na"	22.989218
"318744"	1369.820447	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+H+Na"	23.996494
"712261"	2048.731547	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+H+Na"	23.996494
"1467173"	690.909347	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H+Na"	23.996494
"1056046"	460.94199	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2H+Na"	25.00377
"1263190"	1390.855686	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+CH3OH+H"	33.033486
"381767"	2754.607558	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+K"	38.963158
"742763"	4112.429758	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+K"	38.963158
"1542628"	1396.785358	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+K"	38.963158
"303086"	1377.807417	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+H+K"	39.970434
"697694"	2056.718517	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+H+K"	39.970434
"1451514"	698.896317	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H+K"	39.970434
"241217"	2757.678226	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+ACN+H"	42.033826
"1216117"	1399.856026	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+ACN+H"	42.033826
"1203284"	700.431651	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+ACN+2H"	43.041102
"201629"	2760.61556	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+2Na-H"	44.97116
"643623"	4118.43776	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+2Na-H"	44.97116
"1145060"	1402.79336	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2Na-H"	44.97116
"187255"	1380.811418	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+2Na"	45.978436
"627788"	2059.722518	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+2Na"	45.978436
"1130812"	701.900318	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2Na"	45.978436
"1413849"	468.269304	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H+2Na"	46.985712
"1442318"	1404.834946	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H+HCOOH"	47.012746
"233106"	1385.84444	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+3H2O+2H"	56.04448
"1513878"	1418.88699	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+IsoProp+H"	61.06479
"416479"	1388.798388	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+Na+K"	61.952376
"778569"	2067.709488	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+Na+K"	61.952376
"1678182"	709.887288	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Na+K"	61.952376
"259232"	2779.660168	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+ACN+Na"	64.015768
"1236317"	1421.837968	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+ACN+Na"	64.015768
"1717548"	1421.861493	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+NH4+HCOOH"	64.039293
"1188368"	475.596618	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+3Na"	68.967654
"1658261"	1426.816888	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Na+HCOOH"	68.994688
"168403"	2792.56344	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+2K-H"	76.91904
"603592"	4150.38564	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+2K-H"	76.91904
"1089200"	1434.74124	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2K-H"	76.91904
"151481"	1396.785358	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"2M+2K"	77.926316
"589950"	2075.696458	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"3M+2K"	77.926316
"1074462"	717.874258	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2K"	77.926316
"1107671"	1436.755792	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2K+H"	78.933592
"1347333"	1436.843407	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+DMSO+H"	79.021207
"1010396"	1440.882576	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2ACN+H"	83.060376
"1529618"	1441.876208	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+IsoProp+Na+H"	84.054008
"992782"	720.944926	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+2ACN+2H"	84.067652
"1588500"	1442.790828	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+K+HCOOH"	84.968628
"1418415"	1472.822338	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+H+CF3COOH"	115.000138
"1149069"	741.458201	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+3ACN+2H"	125.094202
"1700445"	1489.848885	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+NH4+CF3COOH"	132.026685
"1636095"	1494.80428	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+Na+CF3COOH"	136.98208
"1578312"	1510.77822	"C20427"	"N-Acetyl-D-galactosaminyl-alpha-(1-3)-NN-diacetyl-alpha-D-bacillosaminyldiphospho-tritransheptacis-undecaprenol"	"C73H121N3O16P2"	"1357.8222"	"M+K+CF3COOH"	152.95602
"808678"	300.2089	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M"	0
"988900"	281.19051	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"77874"	199.131990666667	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"517556"	299.201624	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"890012"	99.0623573333333	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"15361"	299.201624	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"455364"	449.306074	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"831297"	149.097174	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"93354"	599.410524	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"533157"	899.619424	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"909746"	299.201624	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"60838"	616.437071	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"499912"	916.645971	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"876497"	316.228171	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"44762"	621.392466	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"482505"	921.601366	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"857026"	321.183566	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1630933"	321.183566	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"104181"	317.189963	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"538638"	467.294413	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"930331"	167.085513	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"279104"	635.387202	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"666059"	935.596102	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1278461"	335.178302	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"25385"	637.366406	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"461666"	937.575306	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"835099"	337.157506	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1561866"	337.157506	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"944283"	345.207094	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"364686"	645.416001	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"350756"	659.431651	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1498498"	359.222751	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"963854"	367.189051	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"120418"	335.178302	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"562165"	485.282752	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1036066"	185.073852	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1252730"	379.127785	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1316269"	381.183772	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1329393"	403.165729	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"924463"	413.194486	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1301536"	449.171164	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1380793"	265.196224	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1397561"	283.2062	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"295786"	601.425076	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"688206"	901.633976	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1366016"	301.216176	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"136353"	301.216176	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"570448"	451.320626	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1041797"	151.111726	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"210791"	201.146542666667	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"658128"	301.216176	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1175769"	101.076909333333	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"435394"	618.451623	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"797849"	918.660523	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1693085"	318.242723	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"336992"	309.7294495	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"731599"	459.8338995	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1485419"	159.6249995	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"399727"	623.407018	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"764000"	923.615918	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1607728"	323.198118	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"322138"	312.207147	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"711278"	462.311597	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1466190"	162.102697	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1057253"	108.404223333333	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1261116"	333.242386	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"381881"	639.380958	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"745064"	939.589858	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1546022"	339.172058	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"306479"	320.194117	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"699995"	470.298567	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1451630"	170.089667	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"241327"	642.451626	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1217321"	342.242726	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1205581"	171.625001	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"202834"	645.38896	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"643005"	945.59786	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1145659"	345.18006	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"187248"	323.198118	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"626563"	473.302568	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1129344"	173.093668	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1413599"	115.731537333333	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1442429"	347.221646	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"231029"	328.23114	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1515811"	361.27369	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"418778"	331.185088	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"782694"	481.289538	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1677202"	181.080638	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"261532"	664.433568	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1234240"	364.224668	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1719845"	364.248193	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1187022"	123.058851333333	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1655457"	369.203588	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"161953"	677.33684	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"600785"	977.54574	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1086028"	377.12794	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"149406"	339.172058	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"586778"	489.276508	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1071292"	189.067608	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1104502"	379.142492	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1340884"	379.230107	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1011604"	383.269276	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1529730"	384.262908	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"998361"	192.138276	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1589583"	385.177528	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1417431"	415.209038	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1151001"	212.651551	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1700555"	432.235585	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1636202"	437.19098	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1578422"	453.16492	"C20428"	"(3S)-11-cis-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"808788"	300.2089	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M"	0
"988884"	281.19051	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H2O-H"	-19.01839
"78100"	199.131990666667	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-3H"	-3.021828
"517790"	299.201624	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-3H"	-3.021828
"893399"	99.0623573333333	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-3H"	-3.021828
"6510"	299.201624	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H"	-2.014552
"453727"	449.306074	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H"	-2.014552
"830434"	149.097174	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H"	-2.014552
"91519"	599.410524	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H"	-1.007276
"533510"	899.619424	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H"	-1.007276
"910588"	299.201624	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H"	-1.007276
"60947"	616.437071	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+NH4"	16.019271
"496253"	916.645971	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+NH4"	16.019271
"877335"	316.228171	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+NH4"	16.019271
"41956"	621.392466	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+Na"	20.974666
"485772"	921.601366	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+Na"	20.974666
"857136"	321.183566	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+Na"	20.974666
"1629950"	321.183566	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na-2H"	20.974666
"106478"	317.189963	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-H+Cl"	33.962126
"539113"	467.294413	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-H+Cl"	33.962126
"930441"	167.085513	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+Cl"	33.962126
"275925"	635.387202	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Cl"	34.969402
"666168"	935.596102	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Cl"	34.969402
"1274318"	335.178302	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl"	34.969402
"21122"	637.366406	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M-2H+K"	36.948606
"458860"	937.575306	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M-2H+K"	36.948606
"838489"	337.157506	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-2H+K"	36.948606
"1561976"	337.157506	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K-2H"	36.948606
"942929"	345.207094	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+HCOOH"	44.998194
"363702"	645.416001	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+HCOOH-H"	44.998201
"349773"	659.431651	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Hac-H"	59.013851
"1498608"	359.222751	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Hac-H"	59.013851
"965058"	367.189051	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+NaCOOH"	66.980151
"117247"	335.178302	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Cl"	69.938804
"563367"	485.282752	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Cl"	69.938804
"1035446"	185.073852	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Cl"	69.938804
"1255027"	379.127785	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Br"	78.918885
"1314192"	381.183772	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+HCOOH"	80.974872
"1330598"	403.165729	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+NaCOOH"	102.956829
"923846"	413.194486	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M-H+CF3COOH"	112.985586
"1299460"	449.171164	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Cl+CF3COOH"	148.962264
"1379806"	265.196224	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-2H2O"	-35.012676
"1397303"	283.2062	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H-H2O"	-17.0027
"294803"	601.425076	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H"	1.007276
"687223"	901.633976	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H"	1.007276
"1362478"	301.216176	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H"	1.007276
"134275"	301.216176	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2H"	2.014552
"570921"	451.320626	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2H"	2.014552
"1042269"	151.111726	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H"	2.014552
"211994"	201.146542666667	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H"	3.021828
"657630"	301.216176	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+3H"	3.021828
"1176851"	101.076909333333	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3H"	3.021828
"433684"	618.451623	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+NH4"	18.033823
"799052"	918.660523	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+NH4"	18.033823
"1692102"	318.242723	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4"	18.033823
"338197"	309.7294495	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+NH4"	19.041099
"732802"	459.8338995	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+NH4"	19.041099
"1483342"	159.6249995	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+NH4"	19.041099
"400932"	623.407018	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na"	22.989218
"765204"	923.615918	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na"	22.989218
"1607837"	323.198118	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na"	22.989218
"321155"	312.207147	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+Na"	23.996494
"713579"	462.311597	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+Na"	23.996494
"1464479"	162.102697	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+Na"	23.996494
"1057363"	108.404223333333	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2H+Na"	25.00377
"1260862"	333.242386	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+CH3OH+H"	33.033486
"384178"	639.380958	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+K"	38.963158
"748454"	939.589858	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+K"	38.963158
"1545039"	339.172058	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K"	38.963158
"305496"	320.194117	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+H+K"	39.970434
"705574"	470.298567	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+H+K"	39.970434
"1455020"	170.089667	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+K"	39.970434
"247996"	642.451626	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+H"	42.033826
"1217423"	342.242726	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+H"	42.033826
"1205691"	171.625001	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+2H"	43.041102
"201486"	645.38896	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na-H"	44.97116
"642018"	945.59786	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na-H"	44.97116
"1144553"	345.18006	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na-H"	44.97116
"186872"	323.198118	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2Na"	45.978436
"625213"	473.302568	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2Na"	45.978436
"1130063"	173.093668	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2Na"	45.978436
"1413219"	115.731537333333	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+2Na"	46.985712
"1444605"	347.221646	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+HCOOH"	47.012746
"226764"	328.23114	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+3H2O+2H"	56.04448
"1521386"	361.27369	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+H"	61.06479
"417793"	331.185088	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+Na+K"	61.952376
"780977"	481.289538	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+Na+K"	61.952376
"1674030"	181.080638	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+K"	61.952376
"260550"	664.433568	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+ACN+Na"	64.015768
"1233257"	364.224668	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+ACN+Na"	64.015768
"1718864"	364.248193	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+HCOOH"	64.039293
"1186765"	123.058851333333	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3Na"	68.967654
"1656659"	369.203588	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+HCOOH"	68.994688
"160972"	677.33684	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K-H"	76.91904
"600896"	977.54574	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K-H"	76.91904
"1088327"	377.12794	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K-H"	76.91904
"150609"	339.172058	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"2M+2K"	77.926316
"587981"	489.276508	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"3M+2K"	77.926316
"1070310"	189.067608	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K"	77.926316
"1104611"	379.142492	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2K+H"	78.933592
"1340995"	379.230107	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+DMSO+H"	79.021207
"1012806"	383.269276	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+H"	83.060376
"1530932"	384.262908	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+IsoProp+Na+H"	84.054008
"997377"	192.138276	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+2ACN+2H"	84.067652
"1588600"	385.177528	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+HCOOH"	84.968628
"1417541"	415.209038	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+H+CF3COOH"	115.000138
"1152204"	212.651551	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+3ACN+2H"	125.094202
"1700665"	432.235585	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+NH4+CF3COOH"	132.026685
"1637404"	437.19098	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+Na+CF3COOH"	136.98208
"1578532"	453.16492	"C20429"	"(3S)-all-trans-3-Hydroxyretinal"	"C20H28O2"	"300.2089"	"M+K+CF3COOH"	152.95602
"808898"	284.1412	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M"	0
"988995"	265.12281	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-H2O-H"	-19.01839
"77485"	188.420190666667	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M-3H"	-3.021828
"515710"	283.133924	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M-3H"	-3.021828
"893509"	93.7064573333333	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-3H"	-3.021828
"6620"	283.133924	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M-2H"	-2.014552
"450557"	425.204524	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M-2H"	-2.014552
"831516"	141.063324	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-2H"	-2.014552
"91507"	567.275124	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M-H"	-1.007276
"532039"	851.416324	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M-H"	-1.007276
"910775"	283.133924	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-H"	-1.007276
"57898"	584.301671	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M-2H+NH4"	16.019271
"498550"	868.442871	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M-2H+NH4"	16.019271
"874165"	300.160471	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-2H+NH4"	16.019271
"42066"	589.257066	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M-2H+Na"	20.974666
"482723"	873.398266	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M-2H+Na"	20.974666
"857245"	305.115866	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-2H+Na"	20.974666
"1628967"	305.115866	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Na-2H"	20.974666
"105495"	301.122263	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M-H+Cl"	33.962126
"539952"	443.192863	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M-H+Cl"	33.962126
"931280"	159.051663	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-H+Cl"	33.962126
"274942"	603.251802	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+Cl"	34.969402
"664091"	887.393002	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+Cl"	34.969402
"1274428"	319.110602	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Cl"	34.969402
"21232"	605.231006	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M-2H+K"	36.948606
"457634"	889.372206	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M-2H+K"	36.948606
"838599"	321.089806	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-2H+K"	36.948606
"1564272"	321.089806	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+K-2H"	36.948606
"943530"	329.139394	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-H+HCOOH"	44.998194
"363812"	613.280601	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+HCOOH-H"	44.998201
"348789"	627.296251	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+Hac-H"	59.013851
"1498718"	343.155051	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Hac-H"	59.013851
"966261"	351.121351	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-H+NaCOOH"	66.980151
"117357"	319.110602	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+2Cl"	69.938804
"561290"	461.181202	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+2Cl"	69.938804
"1035555"	177.040002	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2Cl"	69.938804
"1247482"	363.060085	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Br"	78.918885
"1312116"	365.116072	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Cl+HCOOH"	80.974872
"1330708"	387.098029	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Cl+NaCOOH"	102.956829
"922860"	397.126786	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M-H+CF3COOH"	112.985586
"1302849"	433.103464	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Cl+CF3COOH"	148.962264
"1379916"	249.128524	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H-2H2O"	-35.012676
"1398421"	267.1385	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H-H2O"	-17.0027
"297099"	569.289676	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+H"	1.007276
"686240"	853.430876	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+H"	1.007276
"1362589"	285.148476	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H"	1.007276
"128918"	285.148476	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+2H"	2.014552
"569937"	427.219076	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+2H"	2.014552
"1042744"	143.077876	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2H"	2.014552
"211011"	190.434742666667	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+3H"	3.021828
"652393"	285.148476	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+3H"	3.021828
"1173800"	95.7210093333334	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+3H"	3.021828
"437073"	586.316223	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+NH4"	18.033823
"799162"	870.457423	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+NH4"	18.033823
"1692213"	302.175023	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+NH4"	18.033823
"341586"	293.6617495	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+H+NH4"	19.041099
"734009"	435.7323495	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+H+NH4"	19.041099
"1483452"	151.5911495	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H+NH4"	19.041099
"402135"	591.271618	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+Na"	22.989218
"763128"	875.412818	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+Na"	22.989218
"1606854"	307.130418	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Na"	22.989218
"321265"	296.139447	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+H+Na"	23.996494
"718062"	438.210047	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+H+Na"	23.996494
"1464589"	154.068847	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H+Na"	23.996494
"1059659"	103.048323333333	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2H+Na"	25.00377
"1261701"	317.174686	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+CH3OH+H"	33.033486
"385381"	607.245558	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+K"	38.963158
"748564"	891.386758	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+K"	38.963158
"1545149"	323.104358	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+K"	38.963158
"307792"	304.126417	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+H+K"	39.970434
"703864"	446.197017	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+H+K"	39.970434
"1455130"	162.055817	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H+K"	39.970434
"248471"	610.316226	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+ACN+H"	42.033826
"1213159"	326.175026	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+ACN+H"	42.033826
"1202517"	163.591151	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+ACN+2H"	43.041102
"201107"	613.25356	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+2Na-H"	44.97116
"642370"	897.39476	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+2Na-H"	44.97116
"1145513"	329.11236	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2Na-H"	44.97116
"187222"	307.130418	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+2Na"	45.978436
"625323"	449.201018	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+2Na"	45.978436
"1130049"	165.059818	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2Na"	45.978436
"1413085"	110.375637333333	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H+2Na"	46.985712
"1445200"	331.153946	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H+HCOOH"	47.012746
"227967"	312.16344	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+3H2O+2H"	56.04448
"1521496"	345.20599	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+IsoProp+H"	61.06479
"418996"	315.117388	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+Na+K"	61.952376
"781087"	457.187988	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+Na+K"	61.952376
"1676326"	173.046788	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Na+K"	61.952376
"261753"	632.298168	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+ACN+Na"	64.015768
"1233368"	348.156968	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+ACN+Na"	64.015768
"1721161"	348.180493	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+NH4+HCOOH"	64.039293
"1185782"	117.702951333333	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+3Na"	68.967654
"1656405"	353.135888	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Na+HCOOH"	68.994688
"162174"	645.20144	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+2K-H"	76.91904
"602098"	929.34264	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+2K-H"	76.91904
"1087344"	361.06024	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2K-H"	76.91904
"148532"	323.104358	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"2M+2K"	77.926316
"586998"	465.174958	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"3M+2K"	77.926316
"1071512"	181.033758	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2K"	77.926316
"1109092"	363.074792	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2K+H"	78.933592
"1341108"	363.162407	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+DMSO+H"	79.021207
"1012914"	367.201576	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2ACN+H"	83.060376
"1532134"	368.195208	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+IsoProp+Na+H"	84.054008
"997489"	184.104426	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+2ACN+2H"	84.067652
"1588710"	369.109828	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+K+HCOOH"	84.968628
"1417651"	399.141338	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+H+CF3COOH"	115.000138
"1147938"	204.617701	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+3ACN+2H"	125.094202
"1699682"	416.167885	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+NH4+CF3COOH"	132.026685
"1635693"	421.12328	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+Na+CF3COOH"	136.98208
"1578642"	437.09722	"C20430"	"()-Larreatricin"	"C18H20O3"	"284.1412"	"M+K+CF3COOH"	152.95602
"809008"	300.1362	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M"	0
"989104"	281.11781	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-H2O-H"	-19.01839
"78381"	199.083524	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M-3H"	-3.021828
"518337"	299.128924	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M-3H"	-3.021828
"893619"	99.038124	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-3H"	-3.021828
"6731"	299.128924	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M-2H"	-2.014552
"450667"	449.197024	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M-2H"	-2.014552
"829561"	149.060824	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-2H"	-2.014552
"89552"	599.265124	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M-H"	-1.007276
"529111"	899.401324	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M-H"	-1.007276
"909589"	299.128924	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-H"	-1.007276
"55821"	616.291671	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M-2H+NH4"	16.019271
"496473"	916.427871	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M-2H+NH4"	16.019271
"872088"	316.155471	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-2H+NH4"	16.019271
"38896"	621.247066	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M-2H+Na"	20.974666
"479553"	921.383266	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M-2H+Na"	20.974666
"855168"	321.110866	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-2H+Na"	20.974666
"1627984"	321.110866	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Na-2H"	20.974666
"103418"	317.117263	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M-H+Cl"	33.962126
"538968"	467.185363	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M-H+Cl"	33.962126
"928838"	167.049163	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-H+Cl"	33.962126
"276145"	635.241802	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+Cl"	34.969402
"667481"	935.378002	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+Cl"	34.969402
"1277698"	335.105602	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Cl"	34.969402
"20251"	637.221006	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M-2H+K"	36.948606
"457744"	937.357206	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M-2H+K"	36.948606
"838709"	337.084806	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-2H+K"	36.948606
"1561102"	337.084806	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+K-2H"	36.948606
"944612"	345.134394	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-H+HCOOH"	44.998194
"362827"	645.270601	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+HCOOH-H"	44.998201
"347805"	659.286251	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+Hac-H"	59.013851
"1498097"	359.150051	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Hac-H"	59.013851
"963453"	367.116351	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-H+NaCOOH"	66.980151
"118559"	335.105602	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+2Cl"	69.938804
"561399"	485.173702	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+2Cl"	69.938804
"1034571"	185.037502	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2Cl"	69.938804
"1248685"	379.055085	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Br"	78.918885
"1314412"	381.111072	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Cl+HCOOH"	80.974872
"1327538"	403.093029	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Cl+NaCOOH"	102.956829
"922971"	413.121786	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M-H+CF3COOH"	112.985586
"1300773"	449.098464	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Cl+CF3COOH"	148.962264
"1376747"	265.123524	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H-2H2O"	-35.012676
"1393150"	283.1335	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H-H2O"	-17.0027
"287734"	601.279676	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+H"	1.007276
"686350"	901.415876	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+H"	1.007276
"1362700"	301.143476	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H"	1.007276
"127933"	301.143476	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+2H"	2.014552
"569317"	451.211576	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+2H"	2.014552
"1038844"	151.075376	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2H"	2.014552
"206381"	201.098076	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+3H"	3.021828
"647765"	301.143476	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+3H"	3.021828
"1166255"	101.052676	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+3H"	3.021828
"431715"	618.306223	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+NH4"	18.033823
"792711"	918.442423	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+NH4"	18.033823
"1687219"	318.170023	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+NH4"	18.033823
"337323"	309.6567495	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+H+NH4"	19.041099
"727558"	459.7248495	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+H+NH4"	19.041099
"1483564"	159.5886495	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H+NH4"	19.041099
"395685"	623.261618	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+Na"	22.989218
"758864"	923.397818	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+Na"	22.989218
"1604897"	323.125418	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Na"	22.989218
"314568"	312.134447	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+H+Na"	23.996494
"709424"	462.202547	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+H+Na"	23.996494
"1462389"	162.066347	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H+Na"	23.996494
"1054661"	108.37999	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2H+Na"	25.00377
"1257799"	333.169686	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+CH3OH+H"	33.033486
"378441"	639.235558	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+K"	38.963158
"742111"	939.371758	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+K"	38.963158
"1545259"	339.099358	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+K"	38.963158
"300976"	320.121417	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+H+K"	39.970434
"693765"	470.189517	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+H+K"	39.970434
"1449773"	170.053317	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H+K"	39.970434
"246029"	642.306226	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+ACN+H"	42.033826
"1212176"	342.170026	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+ACN+H"	42.033826
"1198250"	171.588651	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+ACN+2H"	43.041102
"193308"	645.24356	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+2Na-H"	44.97116
"636155"	945.37976	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+2Na-H"	44.97116
"1145015"	345.10736	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2Na-H"	44.97116
"187861"	323.125418	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+2Na"	45.978436
"627378"	473.193518	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+2Na"	45.978436
"1130159"	173.057318	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2Na"	45.978436
"1409547"	115.707304	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H+2Na"	46.985712
"1444457"	347.148946	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H+HCOOH"	47.012746
"226984"	328.15844	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+3H2O+2H"	56.04448
"1522699"	361.20099	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+IsoProp+H"	61.06479
"415825"	331.112388	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+Na+K"	61.952376
"780104"	481.180488	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+Na+K"	61.952376
"1678625"	181.044288	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Na+K"	61.952376
"261861"	664.288168	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+ACN+Na"	64.015768
"1231291"	364.151968	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+ACN+Na"	64.015768
"1720177"	364.175493	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+NH4+HCOOH"	64.039293
"1185528"	123.034618	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+3Na"	68.967654
"1655421"	369.130888	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Na+HCOOH"	68.994688
"162284"	677.19144	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+2K-H"	76.91904
"601843"	977.32764	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+2K-H"	76.91904
"1089640"	377.05524	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2K-H"	76.91904
"147548"	339.099358	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"2M+2K"	77.926316
"586015"	489.167458	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"3M+2K"	77.926316
"1071622"	189.031258	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2K"	77.926316
"1108109"	379.069792	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2K+H"	78.933592
"1342311"	379.157407	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+DMSO+H"	79.021207
"1011931"	383.196576	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2ACN+H"	83.060376
"1531151"	384.190208	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+IsoProp+Na+H"	84.054008
"997600"	192.101926	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+2ACN+2H"	84.067652
"1588090"	385.104828	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+K+HCOOH"	84.968628
"1416668"	415.136338	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+H+CF3COOH"	115.000138
"1150235"	212.615201	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+3ACN+2H"	125.094202
"1699792"	432.162885	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+NH4+CF3COOH"	132.026685
"1635439"	437.11828	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+Na+CF3COOH"	136.98208
"1578752"	453.09222	"C20431"	"()-3-Hydroxylarreatricin"	"C18H20O4"	"300.1362"	"M+K+CF3COOH"	152.95602
"809118"	410.3913	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M"	0
"989800"	391.37291	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-H2O-H"	-19.01839
"78362"	272.586924	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M-3H"	-3.021828
"518119"	409.384024	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M-3H"	-3.021828
"895190"	135.789824	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-3H"	-3.021828
"14982"	409.384024	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M-2H"	-2.014552
"452599"	614.579674	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M-2H"	-2.014552
"831372"	204.188374	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-2H"	-2.014552
"89662"	819.775324	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M-H"	-1.007276
"531408"	1230.166624	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M-H"	-1.007276
"910185"	409.384024	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-H"	-1.007276
"58118"	836.801871	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M-2H+NH4"	16.019271
"499864"	1247.193171	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M-2H+NH4"	16.019271
"878275"	426.410571	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-2H+NH4"	16.019271
"42286"	841.757266	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M-2H+Na"	20.974666
"485901"	1252.148566	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M-2H+Na"	20.974666
"857465"	431.365966	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-2H+Na"	20.974666
"1628093"	431.365966	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Na-2H"	20.974666
"107903"	427.372363	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M-H+Cl"	33.962126
"546369"	632.568013	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M-H+Cl"	33.962126
"936603"	222.176713	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-H+Cl"	33.962126
"276255"	855.752002	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+Cl"	34.969402
"667591"	1266.143302	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+Cl"	34.969402
"1277808"	445.360702	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Cl"	34.969402
"20365"	857.731206	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M-2H+K"	36.948606
"461015"	1268.122506	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M-2H+K"	36.948606
"838819"	447.339906	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-2H+K"	36.948606
"1557933"	447.339906	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+K-2H"	36.948606
"945088"	455.389494	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-H+HCOOH"	44.998194
"365492"	865.780801	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+HCOOH-H"	44.998201
"346941"	879.796451	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+Hac-H"	59.013851
"1499665"	469.405151	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Hac-H"	59.013851
"967574"	477.371451	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-H+NaCOOH"	66.980151
"119763"	445.360702	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+2Cl"	69.938804
"564668"	650.556352	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+2Cl"	69.938804
"1033588"	240.165052	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2Cl"	69.938804
"1254262"	489.310185	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Br"	78.918885
"1313430"	491.366172	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Cl+HCOOH"	80.974872
"1329834"	513.348129	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Cl+NaCOOH"	102.956829
"924907"	523.376886	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M-H+CF3COOH"	112.985586
"1303070"	559.353564	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Cl+CF3COOH"	148.962264
"1382493"	375.378624	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H-2H2O"	-35.012676
"1393260"	393.3886	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H-H2O"	-17.0027
"294040"	821.789876	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+H"	1.007276
"689741"	1232.181176	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+H"	1.007276
"1363905"	411.398576	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H"	1.007276
"135699"	411.398576	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+2H"	2.014552
"578540"	616.594226	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+2H"	2.014552
"1041142"	206.202926	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2H"	2.014552
"210138"	274.601476	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+3H"	3.021828
"650428"	411.398576	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+3H"	3.021828
"1171834"	137.804376	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+3H"	3.021828
"436200"	838.816423	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+NH4"	18.033823
"795009"	1249.207723	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+NH4"	18.033823
"1692433"	428.425123	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+NH4"	18.033823
"339619"	419.9118495	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+H+NH4"	19.041099
"733134"	625.1074995	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+H+NH4"	19.041099
"1488049"	214.7161995	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H+NH4"	19.041099
"397982"	843.771818	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+Na"	22.989218
"761161"	1254.163118	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+Na"	22.989218
"1608166"	433.380518	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Na"	22.989218
"318203"	422.389547	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+H+Na"	23.996494
"708440"	627.585197	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+H+Na"	23.996494
"1463353"	217.193897	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H+Na"	23.996494
"1058780"	145.13169	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2H+Na"	25.00377
"1258640"	443.424786	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+CH3OH+H"	33.033486
"380132"	859.745758	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+K"	38.963158
"742223"	1270.137058	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+K"	38.963158
"1548650"	449.354458	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+K"	38.963158
"301452"	430.376517	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+H+K"	39.970434
"695331"	635.572167	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+H+K"	39.970434
"1454255"	225.180867	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H+K"	39.970434
"247961"	862.816426	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+ACN+H"	42.033826
"1219942"	452.425126	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+ACN+H"	42.033826
"1204917"	226.716201	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+ACN+2H"	43.041102
"195604"	865.75376	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+2Na-H"	44.97116
"634079"	1276.14506	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+2Na-H"	44.97116
"1146784"	455.36246	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2Na-H"	44.97116
"188473"	433.380518	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+2Na"	45.978436
"627731"	638.576168	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+2Na"	45.978436
"1130995"	228.184868	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2Na"	45.978436
"1413303"	152.459004	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H+2Na"	46.985712
"1444931"	457.404046	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H+HCOOH"	47.012746
"232559"	438.41354	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+3H2O+2H"	56.04448
"1523660"	471.45609	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+IsoProp+H"	61.06479
"423916"	441.367488	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+Na+K"	61.952376
"778026"	646.563138	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+Na+K"	61.952376
"1677639"	236.171838	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Na+K"	61.952376
"263066"	884.798368	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+ACN+Na"	64.015768
"1233586"	474.407068	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+ACN+Na"	64.015768
"1717007"	474.430593	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+NH4+HCOOH"	64.039293
"1183453"	159.786318	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+3Na"	68.967654
"1657715"	479.385988	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Na+HCOOH"	68.994688
"164577"	897.70164	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+2K-H"	76.91904
"604136"	1308.09294	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+2K-H"	76.91904
"1086470"	487.31034	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2K-H"	76.91904
"146564"	449.354458	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"2M+2K"	77.926316
"589405"	654.550108	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"3M+2K"	77.926316
"1077198"	244.158808	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2K"	77.926316
"1106034"	489.324892	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2K+H"	78.933592
"1347523"	489.412507	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+DMSO+H"	79.021207
"1015321"	493.451676	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2ACN+H"	83.060376
"1535270"	494.445308	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+IsoProp+Na+H"	84.054008
"999897"	247.229476	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+2ACN+2H"	84.067652
"1590024"	495.359928	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+K+HCOOH"	84.968628
"1417871"	525.391438	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+H+CF3COOH"	115.000138
"1149251"	267.742751	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+3ACN+2H"	125.094202
"1700995"	542.417985	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+NH4+CF3COOH"	132.026685
"1637735"	547.37338	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+Na+CF3COOH"	136.98208
"1578862"	563.34732	"C20432"	"C30 Botryococcene"	"C30H50"	"410.3913"	"M+K+CF3COOH"	152.95602
"801404"	424.4069	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M"	0
"984948"	405.38851	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-H2O-H"	-19.01839
"76112"	281.930657333333	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M-3H"	-3.021828
"511665"	423.399624	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M-3H"	-3.021828
"887278"	140.461690666667	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-3H"	-3.021828
"2571"	423.399624	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M-2H"	-2.014552
"442131"	635.603074	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M-2H"	-2.014552
"818838"	211.196174	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-2H"	-2.014552
"79923"	847.806524	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M-H"	-1.007276
"520580"	1272.213424	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M-H"	-1.007276
"895907"	423.399624	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-H"	-1.007276
"47652"	864.833071	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M-2H+NH4"	16.019271
"496325"	1289.239971	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M-2H+NH4"	16.019271
"869024"	440.426171	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-2H+NH4"	16.019271
"36925"	869.788466	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M-2H+Na"	20.974666
"476488"	1294.195366	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M-2H+Na"	20.974666
"854292"	445.381566	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-2H+Na"	20.974666
"1624920"	445.381566	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Na-2H"	20.974666
"101449"	441.387963	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M-H+Cl"	33.962126
"542105"	653.591413	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M-H+Cl"	33.962126
"936713"	229.184513	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-H+Cl"	33.962126
"273085"	883.783202	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+Cl"	34.969402
"666608"	1308.190102	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+Cl"	34.969402
"1283386"	459.376302	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Cl"	34.969402
"21569"	885.762406	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M-2H+K"	36.948606
"460031"	1310.169306	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M-2H+K"	36.948606
"838930"	461.355506	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-2H+K"	36.948606
"1556951"	461.355506	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+K-2H"	36.948606
"944105"	469.405094	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-H+HCOOH"	44.998194
"362321"	893.812001	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+HCOOH-H"	44.998201
"349849"	907.827651	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+Hac-H"	59.013851
"1499776"	483.420751	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Hac-H"	59.013851
"966591"	491.387051	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-H+NaCOOH"	66.980151
"118780"	459.376302	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+2Cl"	69.938804
"560527"	671.579752	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+2Cl"	69.938804
"1032605"	247.172852	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2Cl"	69.938804
"1251093"	503.325785	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Br"	78.918885
"1306980"	505.381772	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Cl+HCOOH"	80.974872
"1327758"	527.363729	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Cl+NaCOOH"	102.956829
"923559"	537.392486	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M-H+CF3COOH"	112.985586
"1300993"	573.369164	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Cl+CF3COOH"	148.962264
"1380247"	389.394224	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H-2H2O"	-35.012676
"1391183"	407.4042	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H-H2O"	-17.0027
"290869"	849.821076	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+H"	1.007276
"684384"	1274.227976	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+H"	1.007276
"1360733"	425.414176	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H"	1.007276
"132529"	425.414176	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+2H"	2.014552
"576463"	637.617626	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+2H"	2.014552
"1040524"	213.210726	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2H"	2.014552
"209883"	283.945209333333	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+3H"	3.021828
"651631"	425.414176	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+3H"	3.021828
"1170850"	142.476242666667	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+3H"	3.021828
"437404"	866.847623	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+NH4"	18.033823
"796211"	1291.254523	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+NH4"	18.033823
"1694366"	442.440723	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+NH4"	18.033823
"340823"	433.9274495	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+H+NH4"	19.041099
"731058"	646.1308995	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+H+NH4"	19.041099
"1485972"	221.7239995	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H+NH4"	19.041099
"395905"	871.803018	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+Na"	22.989218
"760178"	1296.209918	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+Na"	22.989218
"1606090"	447.396118	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Na"	22.989218
"319406"	436.405147	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+H+Na"	23.996494
"708550"	648.608597	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+H+Na"	23.996494
"1465650"	224.201697	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H+Na"	23.996494
"1057797"	149.803556666667	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2H+Na"	25.00377
"1261666"	457.440386	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+CH3OH+H"	33.033486
"383522"	887.776958	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+K"	38.963158
"740875"	1312.183858	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+K"	38.963158
"1548759"	463.370058	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+K"	38.963158
"302655"	444.392117	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+H+K"	39.970434
"695441"	656.595567	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+H+K"	39.970434
"1453272"	232.188667	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H+K"	39.970434
"246978"	890.847626	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+ACN+H"	42.033826
"1220782"	466.440726	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+ACN+H"	42.033826
"1199560"	233.724001	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+ACN+2H"	43.041102
"191342"	893.78496	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+2Na-H"	44.97116
"635282"	1318.19186	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+2Na-H"	44.97116
"1143166"	469.37806	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2Na-H"	44.97116
"187549"	447.396118	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+2Na"	45.978436
"627111"	659.599568	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+2Na"	45.978436
"1128429"	235.192668	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2Na"	45.978436
"1411590"	157.130870666667	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H+2Na"	46.985712
"1442976"	471.419646	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H+HCOOH"	47.012746
"227203"	452.42914	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+3H2O+2H"	56.04448
"1516357"	485.47169	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+IsoProp+H"	61.06479
"424188"	455.383088	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+Na+K"	61.952376
"777041"	667.586538	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+Na+K"	61.952376
"1676657"	243.179638	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Na+K"	61.952376
"258803"	912.829568	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+ACN+Na"	64.015768
"1232603"	488.422668	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+ACN+Na"	64.015768
"1718210"	488.446193	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+NH4+HCOOH"	64.039293
"1184656"	164.458184666667	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+3Na"	68.967654
"1656733"	493.401588	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Na+HCOOH"	68.994688
"162501"	925.73284	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+2K-H"	76.91904
"600969"	1350.13974	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+2K-H"	76.91904
"1085608"	501.32594	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2K-H"	76.91904
"145582"	463.370058	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"2M+2K"	77.926316
"587330"	675.573508	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"3M+2K"	77.926316
"1075123"	251.166608	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2K"	77.926316
"1108332"	503.340492	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2K+H"	78.933592
"1346540"	503.428107	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+DMSO+H"	79.021207
"1018350"	507.467276	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2ACN+H"	83.060376
"1535380"	508.460908	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+IsoProp+Na+H"	84.054008
"1000371"	254.237276	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+2ACN+2H"	84.067652
"1589041"	509.375528	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+K+HCOOH"	84.968628
"1416887"	539.407038	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+H+CF3COOH"	115.000138
"1148268"	274.750551	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+3ACN+2H"	125.094202
"1701105"	556.433585	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+NH4+CF3COOH"	132.026685
"1637117"	561.38898	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+Na+CF3COOH"	136.98208
"1578972"	577.36292	"C20433"	"3-Methyl-12-didehydro-23-dihydrobotryococcene;Showacene"	"C31H52"	"424.4069"	"M+K+CF3COOH"	152.95602
"802776"	424.4069	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M"	0
"985058"	405.38851	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-H2O-H"	-19.01839
"77555"	281.930657333333	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M-3H"	-3.021828
"516878"	423.399624	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M-3H"	-3.021828
"890668"	140.461690666667	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-3H"	-3.021828
"4869"	423.399624	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M-2H"	-2.014552
"448803"	635.603074	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M-2H"	-2.014552
"822230"	211.196174	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-2H"	-2.014552
"83315"	847.806524	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M-H"	-1.007276
"529438"	1272.213424	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M-H"	-1.007276
"900678"	423.399624	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-H"	-1.007276
"53959"	864.833071	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M-2H+NH4"	16.019271
"495342"	1289.239971	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M-2H+NH4"	16.019271
"869134"	440.426171	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-2H+NH4"	16.019271
"37035"	869.788466	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M-2H+Na"	20.974666
"482065"	1294.195366	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M-2H+Na"	20.974666
"860962"	445.381566	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-2H+Na"	20.974666
"1625030"	445.381566	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Na-2H"	20.974666
"107755"	441.387963	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M-H+Cl"	33.962126
"547559"	653.591413	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M-H+Cl"	33.962126
"933543"	229.184513	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-H+Cl"	33.962126
"273195"	883.783202	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+Cl"	34.969402
"666718"	1308.190102	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+Cl"	34.969402
"1283496"	459.376302	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Cl"	34.969402
"21679"	885.762406	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M-2H+K"	36.948606
"457347"	1310.169306	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M-2H+K"	36.948606
"837947"	461.355506	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-2H+K"	36.948606
"1557061"	461.355506	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+K-2H"	36.948606
"946037"	469.405094	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-H+HCOOH"	44.998194
"364618"	893.812001	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+HCOOH-H"	44.998201
"347407"	907.827651	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+Hac-H"	59.013851
"1496604"	483.420751	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Hac-H"	59.013851
"964514"	491.387051	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-H+NaCOOH"	66.980151
"117796"	459.376302	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+2Cl"	69.938804
"561729"	671.579752	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+2Cl"	69.938804
"1033808"	247.172852	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2Cl"	69.938804
"1252296"	503.325785	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Br"	78.918885
"1309278"	505.381772	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Cl+HCOOH"	80.974872
"1325679"	527.363729	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Cl+NaCOOH"	102.956829
"922208"	537.392486	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M-H+CF3COOH"	112.985586
"1294542"	573.369164	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Cl+CF3COOH"	148.962264
"1375983"	389.394224	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H-2H2O"	-35.012676
"1390200"	407.4042	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H-H2O"	-17.0027
"290979"	849.821076	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+H"	1.007276
"686681"	1274.227976	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+H"	1.007276
"1361937"	425.414176	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H"	1.007276
"132639"	425.414176	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+2H"	2.014552
"574386"	637.617626	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+2H"	2.014552
"1039178"	213.210726	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2H"	2.014552
"213275"	283.945209333333	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+3H"	3.021828
"651742"	425.414176	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+3H"	3.021828
"1170961"	142.476242666667	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+3H"	3.021828
"436421"	866.847623	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+NH4"	18.033823
"799602"	1291.254523	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+NH4"	18.033823
"1691559"	442.440723	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+NH4"	18.033823
"342025"	433.9274495	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+H+NH4"	19.041099
"733353"	646.1308995	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+H+NH4"	19.041099
"1486081"	221.7239995	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H+NH4"	19.041099
"397107"	871.803018	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+Na"	22.989218
"758102"	1296.209918	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+Na"	22.989218
"1605108"	447.396118	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Na"	22.989218
"317696"	436.405147	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+H+Na"	23.996494
"714128"	648.608597	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+H+Na"	23.996494
"1466854"	224.201697	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H+Na"	23.996494
"1055722"	149.803556666667	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2H+Na"	25.00377
"1261047"	457.440386	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+CH3OH+H"	33.033486
"380352"	887.776958	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+K"	38.963158
"743537"	1312.183858	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+K"	38.963158
"1544496"	463.370058	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+K"	38.963158
"304952"	444.392117	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+H+K"	39.970434
"695551"	656.595567	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+H+K"	39.970434
"1454476"	232.188667	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H+K"	39.970434
"246359"	890.847626	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+ACN+H"	42.033826
"1221985"	466.440726	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+ACN+H"	42.033826
"1199670"	233.724001	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+ACN+2H"	43.041102
"192546"	893.78496	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+2Na-H"	44.97116
"629923"	1318.19186	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+2Na-H"	44.97116
"1143277"	469.37806	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2Na-H"	44.97116
"186567"	447.396118	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+2Na"	45.978436
"624305"	659.599568	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+2Na"	45.978436
"1126719"	235.192668	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2Na"	45.978436
"1411702"	157.130870666667	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H+2Na"	46.985712
"1441631"	471.419646	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H+HCOOH"	47.012746
"229865"	452.42914	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+3H2O+2H"	56.04448
"1518291"	485.47169	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+IsoProp+H"	61.06479
"423085"	455.383088	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+Na+K"	61.952376
"778245"	667.586538	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+Na+K"	61.952376
"1677495"	243.179638	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Na+K"	61.952376
"262194"	912.829568	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+ACN+Na"	64.015768
"1235995"	488.422668	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+ACN+Na"	64.015768
"1722695"	488.446193	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+NH4+HCOOH"	64.039293
"1182580"	164.458184666667	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+3Na"	68.967654
"1655750"	493.401588	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Na+HCOOH"	68.994688
"161519"	925.73284	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+2K-H"	76.91904
"602172"	1350.13974	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+2K-H"	76.91904
"1087784"	501.32594	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2K-H"	76.91904
"145694"	463.370058	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"2M+2K"	77.926316
"588536"	675.573508	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"3M+2K"	77.926316
"1078149"	251.166608	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2K"	77.926316
"1111724"	503.340492	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2K+H"	78.933592
"1349204"	503.428107	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+DMSO+H"	79.021207
"1018826"	507.467276	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2ACN+H"	83.060376
"1536220"	508.460908	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+IsoProp+Na+H"	84.054008
"1003031"	254.237276	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+2ACN+2H"	84.067652
"1589151"	509.375528	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+K+HCOOH"	84.968628
"1416998"	539.407038	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+H+CF3COOH"	115.000138
"1149473"	274.750551	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+3ACN+2H"	125.094202
"1701215"	556.433585	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+NH4+CF3COOH"	132.026685
"1636134"	561.38898	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+Na+CF3COOH"	136.98208
"1579082"	577.36292	"C20434"	"20-Methyl-2122-didehydro-2021-dihydrobotryococcene;Isoshowacene"	"C31H52"	"424.4069"	"M+K+CF3COOH"	152.95602
"802886"	438.4226	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M"	0
"986261"	419.40421	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-H2O-H"	-19.01839
"76693"	291.274457333333	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M-3H"	-3.021828
"515165"	437.415324	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M-3H"	-3.021828
"890778"	145.133590666667	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-3H"	-3.021828
"4979"	437.415324	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M-2H"	-2.014552
"448913"	656.626624	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M-2H"	-2.014552
"823433"	218.204024	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-2H"	-2.014552
"82331"	875.837924	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M-H"	-1.007276
"528455"	1314.260524	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M-H"	-1.007276
"897750"	437.415324	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-H"	-1.007276
"52247"	892.864471	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M-2H+NH4"	16.019271
"494723"	1331.287071	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M-2H+NH4"	16.019271
"872524"	454.441871	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-2H+NH4"	16.019271
"39332"	897.819866	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M-2H+Na"	20.974666
"482175"	1336.242466	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M-2H+Na"	20.974666
"861072"	459.397266	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-2H+Na"	20.974666
"1625140"	459.397266	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Na-2H"	20.974666
"106772"	455.403663	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M-H+Cl"	33.962126
"547792"	674.614963	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M-H+Cl"	33.962126
"928186"	236.192363	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-H+Cl"	33.962126
"276585"	911.814602	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+Cl"	34.969402
"666826"	1350.237202	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+Cl"	34.969402
"1280326"	473.392002	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Cl"	34.969402
"18509"	913.793806	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M-2H+K"	36.948606
"458186"	1352.216406	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M-2H+K"	36.948606
"836962"	475.371206	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-2H+K"	36.948606
"1556319"	475.371206	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+K-2H"	36.948606
"943961"	483.420794	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-H+HCOOH"	44.998194
"361408"	921.843401	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+HCOOH-H"	44.998201
"347151"	935.859051	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+Hac-H"	59.013851
"1494162"	497.436451	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Hac-H"	59.013851
"960611"	505.402751	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-H+NaCOOH"	66.980151
"112072"	473.392002	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+2Cl"	69.938804
"554184"	692.603302	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+2Cl"	69.938804
"1027358"	254.180702	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2Cl"	69.938804
"1243657"	517.341485	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Br"	78.918885
"1304234"	519.397472	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Cl+HCOOH"	80.974872
"1320112"	541.379429	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Cl+NaCOOH"	102.956829
"914662"	551.408186	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M-H+CF3COOH"	112.985586
"1289788"	587.384864	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Cl+CF3COOH"	148.962264
"1373906"	403.409924	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H-2H2O"	-35.012676
"1388122"	421.4199	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H-H2O"	-17.0027
"289996"	877.852476	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+H"	1.007276
"681324"	1316.275076	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+H"	1.007276
"1359860"	439.429876	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H"	1.007276
"136029"	439.429876	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+2H"	2.014552
"575590"	658.641176	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+2H"	2.014552
"1037378"	220.218576	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2H"	2.014552
"210105"	293.289009333333	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+3H"	3.021828
"650760"	439.429876	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+3H"	3.021828
"1167789"	147.148142666667	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+3H"	3.021828
"434341"	894.879023	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+NH4"	18.033823
"794243"	1333.301623	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+NH4"	18.033823
"1689481"	456.456423	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+NH4"	18.033823
"336665"	447.9431495	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+H+NH4"	19.041099
"732368"	667.1544495	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+H+NH4"	19.041099
"1481814"	228.7318495	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H+NH4"	19.041099
"399401"	899.834418	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+Na"	22.989218
"761490"	1338.257018	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+Na"	22.989218
"1610680"	461.411818	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Na"	22.989218
"319629"	450.420847	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+H+Na"	23.996494
"712051"	669.632147	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+H+Na"	23.996494
"1470244"	231.209547	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H+Na"	23.996494
"1053117"	154.475456666667	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2H+Na"	25.00377
"1258483"	471.456086	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+CH3OH+H"	33.033486
"379733"	915.808358	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+K"	38.963158
"740120"	1354.230958	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+K"	38.963158
"1541323"	477.385758	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+K"	38.963158
"305062"	458.407817	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+H+K"	39.970434
"695296"	677.619117	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+H+K"	39.970434
"1452397"	239.196517	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H+K"	39.970434
"246103"	918.879026	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+ACN+H"	42.033826
"1221732"	480.456426	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+ACN+H"	42.033826
"1200874"	240.731851	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+ACN+2H"	43.041102
"193750"	921.81636	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+2Na-H"	44.97116
"630761"	1360.23896	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+2Na-H"	44.97116
"1143383"	483.39376	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2Na-H"	44.97116
"185218"	461.411818	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+2Na"	45.978436
"624779"	680.623118	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+2Na"	45.978436
"1126830"	242.200518	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2Na"	45.978436
"1411447"	161.802770666667	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H+2Na"	46.985712
"1442104"	485.435346	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H+HCOOH"	47.012746
"233257"	466.44484	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+3H2O+2H"	56.04448
"1516579"	499.48739	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+IsoProp+H"	61.06479
"423558"	469.398788	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+Na+K"	61.952376
"779449"	688.610088	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+Na+K"	61.952376
"1676513"	250.187488	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Na+K"	61.952376
"262669"	940.860968	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+ACN+Na"	64.015768
"1236106"	502.438368	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+ACN+Na"	64.015768
"1722441"	502.461893	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+NH4+HCOOH"	64.039293
"1183418"	169.130084666667	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+3Na"	68.967654
"1654766"	507.417288	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Na+HCOOH"	68.994688
"160535"	953.76424	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+2K-H"	76.91904
"605200"	1392.18684	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+2K-H"	76.91904
"1087893"	515.34164	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2K-H"	76.91904
"147991"	477.385758	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"2M+2K"	77.926316
"588646"	696.597058	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"3M+2K"	77.926316
"1077166"	258.174458	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2K"	77.926316
"1111105"	517.356192	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2K+H"	78.933592
"1349679"	517.443807	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+DMSO+H"	79.021207
"1019668"	521.482976	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2ACN+H"	83.060376
"1536696"	522.476608	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+IsoProp+Na+H"	84.054008
"999861"	261.245126	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+2ACN+2H"	84.067652
"1589261"	523.391228	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+K+HCOOH"	84.968628
"1418200"	553.422738	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+H+CF3COOH"	115.000138
"1148487"	281.758401	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+3ACN+2H"	125.094202
"1701325"	570.449285	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+NH4+CF3COOH"	132.026685
"1636244"	575.40468	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+Na+CF3COOH"	136.98208
"1579192"	591.37862	"C20435"	"320-Dimethyl-122122-tetradehydro-232021-tetrahydrobotryococcene"	"C32H54"	"438.4226"	"M+K+CF3COOH"	152.95602
"803360"	298.1681	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M"	0
"986371"	279.14971	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-H2O-H"	-19.01839
"77896"	197.771457333333	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M-3H"	-3.021828
"518368"	297.160824	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M-3H"	-3.021828
"894168"	98.3820906666667	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-3H"	-3.021828
"6182"	297.160824	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M-2H"	-2.014552
"450116"	446.244874	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M-2H"	-2.014552
"823543"	148.076774	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-2H"	-2.014552
"82441"	595.328924	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M-H"	-1.007276
"528564"	893.497024	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M-H"	-1.007276
"897618"	297.160824	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-H"	-1.007276
"51993"	612.355471	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M-2H+NH4"	16.019271
"495926"	910.523571	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M-2H+NH4"	16.019271
"872634"	314.187371	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-2H+NH4"	16.019271
"40535"	617.310866	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M-2H+Na"	20.974666
"482285"	915.478966	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M-2H+Na"	20.974666
"861912"	319.142766	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-2H+Na"	20.974666
"1630353"	319.142766	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Na-2H"	20.974666
"105059"	315.149163	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M-H+Cl"	33.962126
"548955"	464.233213	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M-H+Cl"	33.962126
"929024"	166.065113	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-H+Cl"	33.962126
"276695"	631.305602	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+Cl"	34.969402
"672403"	929.473702	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+Cl"	34.969402
"1277156"	333.137502	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Cl"	34.969402
"16795"	633.284806	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M-2H+K"	36.948606
"458175"	931.452906	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M-2H+K"	36.948606
"835977"	335.116706	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-2H+K"	36.948606
"1562746"	335.116706	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+K-2H"	36.948606
"944432"	343.166294	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-H+HCOOH"	44.998194
"363378"	641.334401	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+HCOOH-H"	44.998201
"347018"	655.350051	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+Hac-H"	59.013851
"1494635"	357.181951	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Hac-H"	59.013851
"961083"	365.148251	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-H+NaCOOH"	66.980151
"112545"	333.137502	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+2Cl"	69.938804
"553201"	482.221552	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+2Cl"	69.938804
"1026375"	184.053452	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2Cl"	69.938804
"1243767"	377.086985	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Br"	78.918885
"1306216"	379.142972	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Cl+HCOOH"	80.974872
"1320348"	401.124929	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Cl+NaCOOH"	102.956829
"914772"	411.153686	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M-H+CF3COOH"	112.985586
"1289900"	447.130364	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Cl+CF3COOH"	148.962264
"1368913"	263.155424	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H-2H2O"	-35.012676
"1385316"	281.1654	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H-H2O"	-17.0027
"290105"	597.343476	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+H"	1.007276
"682527"	895.511576	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+H"	1.007276
"1359970"	299.175376	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H"	1.007276
"133952"	299.175376	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+2H"	2.014552
"573513"	448.259426	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+2H"	2.014552
"1039395"	150.091326	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2H"	2.014552
"213493"	199.786009333333	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+3H"	3.021828
"649776"	299.175376	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+3H"	3.021828
"1171179"	100.396642666667	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+3H"	3.021828
"433359"	614.370023	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+NH4"	18.033823
"793260"	912.538123	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+NH4"	18.033823
"1688495"	316.201923	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+NH4"	18.033823
"336775"	307.6886495	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+H+NH4"	19.041099
"731020"	456.7726995	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+H+NH4"	19.041099
"1481194"	158.6045995	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H+NH4"	19.041099
"400603"	619.325418	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+Na"	22.989218
"759412"	917.493518	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+Na"	22.989218
"1610790"	321.157318	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Na"	22.989218
"319739"	310.166347	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+H+Na"	23.996494
"714348"	459.250397	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+H+Na"	23.996494
"1465981"	161.082297	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H+Na"	23.996494
"1053387"	107.723956666667	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2H+Na"	25.00377
"1258715"	331.201586	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+CH3OH+H"	33.033486
"381666"	635.299358	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+K"	38.963158
"741568"	933.467458	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+K"	38.963158
"1544714"	337.131258	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+K"	38.963158
"308452"	318.153317	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+H+K"	39.970434
"695406"	467.237367	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+H+K"	39.970434
"1452507"	169.069267	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H+K"	39.970434
"247306"	638.370026	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+ACN+H"	42.033826
"1223543"	340.201926	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+ACN+H"	42.033826
"1203171"	170.604601	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+ACN+2H"	43.041102
"194953"	641.30736	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+2Na-H"	44.97116
"633421"	939.47546	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+2Na-H"	44.97116
"1143493"	343.13926	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2Na-H"	44.97116
"182413"	321.157318	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+2Na"	45.978436
"623066"	470.241368	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+2Na"	45.978436
"1123292"	172.073268	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2Na"	45.978436
"1408640"	115.051270666667	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H+2Na"	46.985712
"1436743"	345.180846	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H+HCOOH"	47.012746
"228625"	326.19034	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+3H2O+2H"	56.04448
"1519604"	359.23289	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+IsoProp+H"	61.06479
"421113"	329.144288	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+Na+K"	61.952376
"777370"	478.228338	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+Na+K"	61.952376
"1673705"	180.060238	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Na+K"	61.952376
"262779"	660.351968	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+ACN+Na"	64.015768
"1234758"	362.183868	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+ACN+Na"	64.015768
"1722186"	362.207393	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+NH4+HCOOH"	64.039293
"1182800"	122.378584666667	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+3Na"	68.967654
"1652691"	367.162788	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Na+HCOOH"	68.994688
"161741"	673.25524	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+2K-H"	76.91904
"604581"	971.42334	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+2K-H"	76.91904
"1089096"	375.08714	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2K-H"	76.91904
"147007"	337.131258	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"2M+2K"	77.926316
"588756"	486.215308	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"3M+2K"	77.926316
"1077641"	188.047208	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2K"	77.926316
"1110486"	377.101692	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2K+H"	78.933592
"1350155"	377.189307	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+DMSO+H"	79.021207
"1019293"	381.228476	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2ACN+H"	83.060376
"1537537"	382.222108	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+IsoProp+Na+H"	84.054008
"1002523"	191.117876	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+2ACN+2H"	84.067652
"1591558"	383.136728	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+K+HCOOH"	84.968628
"1419404"	413.168238	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+H+CF3COOH"	115.000138
"1152973"	211.631151	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+3ACN+2H"	125.094202
"1701435"	430.194785	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+NH4+CF3COOH"	132.026685
"1635625"	435.15018	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+Na+CF3COOH"	136.98208
"1579302"	451.12412	"C20436"	"Fumigaclavine A"	"C18H22N2O2"	"298.1681"	"M+K+CF3COOH"	152.95602
"801412"	256.1576	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M"	0
"986481"	237.13921	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-H2O-H"	-19.01839
"76913"	169.764457333333	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M-3H"	-3.021828
"512104"	255.150324	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M-3H"	-3.021828
"892092"	84.3785906666667	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-3H"	-3.021828
"4104"	255.150324	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M-2H"	-2.014552
"442572"	383.229124	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M-2H"	-2.014552
"817941"	127.071524	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-2H"	-2.014552
"82551"	511.307924	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M-H"	-1.007276
"526488"	767.465524	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M-H"	-1.007276
"897728"	255.150324	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-H"	-1.007276
"52103"	528.334471	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M-2H+NH4"	16.019271
"493850"	784.492071	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M-2H+NH4"	16.019271
"869464"	272.176871	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-2H+NH4"	16.019271
"37365"	533.289866	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M-2H+Na"	20.974666
"476928"	789.447466	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M-2H+Na"	20.974666
"861292"	277.132266	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-2H+Na"	20.974666
"1631920"	277.132266	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Na-2H"	20.974666
"105169"	273.138663	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M-H+Cl"	33.962126
"546917"	401.217463	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M-H+Cl"	33.962126
"931686"	145.059863	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-H+Cl"	33.962126
"275712"	547.284602	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+Cl"	34.969402
"672514"	803.442202	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+Cl"	34.969402
"1277266"	291.127002	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Cl"	34.969402
"17756"	549.263806	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M-2H+K"	36.948606
"459379"	805.421406	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M-2H+K"	36.948606
"834995"	293.106206	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-2H+K"	36.948606
"1556415"	293.106206	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+K-2H"	36.948606
"946365"	301.155794	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-H+HCOOH"	44.998194
"362759"	557.313401	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+HCOOH-H"	44.998201
"347372"	571.329051	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+Hac-H"	59.013851
"1495839"	315.171451	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Hac-H"	59.013851
"959493"	323.137751	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-H+NaCOOH"	66.980151
"112656"	291.127002	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+2Cl"	69.938804
"554404"	419.205802	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+2Cl"	69.938804
"1027579"	163.048202	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2Cl"	69.938804
"1245335"	335.076485	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Br"	78.918885
"1306690"	337.132472	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Cl+HCOOH"	80.974872
"1319916"	359.114429	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Cl+NaCOOH"	102.956829
"911365"	369.143186	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M-H+CF3COOH"	112.985586
"1288549"	405.119864	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Cl+CF3COOH"	148.962264
"1371574"	221.144924	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H-2H2O"	-35.012676
"1385425"	239.1549	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H-H2O"	-17.0027
"286205"	513.322476	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+H"	1.007276
"681544"	769.480076	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+H"	1.007276
"1360080"	257.164876	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H"	1.007276
"130782"	257.164876	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+2H"	2.014552
"570343"	385.243676	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+2H"	2.014552
"1037074"	129.086076	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2H"	2.014552
"207769"	171.779009333333	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+3H"	3.021828
"647329"	257.164876	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+3H"	3.021828
"1166549"	86.3931426666667	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+3H"	3.021828
"431281"	530.349023	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+NH4"	18.033823
"791182"	786.506623	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+NH4"	18.033823
"1689699"	274.191423	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+NH4"	18.033823
"335061"	265.6781495	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+H+NH4"	19.041099
"727480"	393.7569495	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+H+NH4"	19.041099
"1482033"	137.5993495	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H+NH4"	19.041099
"397433"	535.304418	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+Na"	22.989218
"760617"	791.462018	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+Na"	22.989218
"1608715"	279.146818	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Na"	22.989218
"316563"	268.155847	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+H+Na"	23.996494
"714457"	396.234647	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+H+Na"	23.996494
"1463296"	140.077047	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H+Na"	23.996494
"1053373"	93.7204566666667	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2H+Na"	25.00377
"1257406"	289.191086	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+CH3OH+H"	33.033486
"378373"	551.278358	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+K"	38.963158
"739856"	807.435958	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+K"	38.963158
"1543731"	295.120758	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+K"	38.963158
"302002"	276.142817	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+H+K"	39.970434
"694423"	404.221617	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+H+K"	39.970434
"1451524"	148.064017	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H+K"	39.970434
"246687"	554.349026	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+ACN+H"	42.033826
"1223773"	298.191426	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+ACN+H"	42.033826
"1202188"	149.599351	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+ACN+2H"	43.041102
"192144"	557.28636	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+2Na-H"	44.97116
"631345"	813.44396	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+2Na-H"	44.97116
"1137770"	301.12876	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2Na-H"	44.97116
"177050"	279.146818	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+2Na"	45.978436
"619896"	407.225618	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+2Na"	45.978436
"1126682"	151.068018	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2Na"	45.978436
"1410206"	101.047770666667	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H+2Na"	46.985712
"1435760"	303.170346	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H+HCOOH"	47.012746
"226549"	284.17984	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+3H2O+2H"	56.04448
"1515705"	317.22239	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+IsoProp+H"	61.06479
"417577"	287.133788	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+Na+K"	61.952376
"774201"	415.212588	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+Na+K"	61.952376
"1676001"	159.054988	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Na+K"	61.952376
"264345"	576.330968	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+ACN+Na"	64.015768
"1236325"	320.173368	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+ACN+Na"	64.015768
"1721931"	320.196893	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+NH4+HCOOH"	64.039293
"1182910"	108.375084666667	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+3Na"	68.967654
"1653895"	325.152288	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Na+HCOOH"	68.994688
"162944"	589.23424	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+2K-H"	76.91904
"604692"	845.39184	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+2K-H"	76.91904
"1088114"	333.07664	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2K-H"	76.91904
"147118"	295.120758	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"2M+2K"	77.926316
"588866"	423.199558	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"3M+2K"	77.926316
"1082126"	167.041958	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2K"	77.926316
"1110960"	335.091192	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2K+H"	78.933592
"1350507"	335.178807	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+DMSO+H"	79.021207
"1018796"	339.217976	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2ACN+H"	83.060376
"1539109"	340.211608	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+IsoProp+Na+H"	84.054008
"1002634"	170.112626	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+2ACN+2H"	84.067652
"1593854"	341.126228	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+K+HCOOH"	84.968628
"1420608"	371.157738	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+H+CF3COOH"	115.000138
"1151989"	190.625901	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+3ACN+2H"	125.094202
"1699359"	388.184285	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+NH4+CF3COOH"	132.026685
"1634640"	393.13968	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+Na+CF3COOH"	136.98208
"1579412"	409.11362	"C20437"	"Fumigaclavine B;68-alpha-Dimethylergolin-9-beta-ol"	"C16H20N2O"	"256.1576"	"M+K+CF3COOH"	152.95602
"802122"	366.2307	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M"	0
"986591"	347.21231	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-H2O-H"	-19.01839
"77389"	243.146524	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M-3H"	-3.021828
"508934"	365.223424	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M-3H"	-3.021828
"885642"	121.069624	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-3H"	-3.021828
"3122"	365.223424	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M-2H"	-2.014552
"443777"	548.338774	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M-2H"	-2.014552
"820847"	182.108074	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-2H"	-2.014552
"80839"	731.454124	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M-H"	-1.007276
"524411"	1097.684824	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M-H"	-1.007276
"902212"	365.223424	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-H"	-1.007276
"54400"	748.480671	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M-2H+NH4"	16.019271
"493960"	1114.711371	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M-2H+NH4"	16.019271
"869574"	382.249971	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-2H+NH4"	16.019271
"34558"	753.436066	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M-2H+Na"	20.974666
"477402"	1119.666766	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M-2H+Na"	20.974666
"858122"	387.205366	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-2H+Na"	20.974666
"1630573"	387.205366	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Na-2H"	20.974666
"107466"	383.211763	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M-H+Cl"	33.962126
"545934"	566.327113	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M-H+Cl"	33.962126
"931796"	200.096413	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-H+Cl"	33.962126
"275822"	767.430802	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+Cl"	34.969402
"670438"	1133.661502	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+Cl"	34.969402
"1275189"	401.200102	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Cl"	34.969402
"22120"	769.410006	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M-2H+K"	36.948606
"460583"	1135.640706	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M-2H+K"	36.948606
"835105"	403.179306	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-2H+K"	36.948606
"1558593"	403.179306	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+K-2H"	36.948606
"946475"	411.228894	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-H+HCOOH"	44.998194
"362869"	777.459601	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+HCOOH-H"	44.998201
"346752"	791.475251	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+Hac-H"	59.013851
"1494492"	425.244551	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Hac-H"	59.013851
"959846"	433.210851	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-H+NaCOOH"	66.980151
"114953"	401.200102	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+2Cl"	69.938804
"553420"	584.315452	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+2Cl"	69.938804
"1026595"	218.084752	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2Cl"	69.938804
"1242894"	445.149585	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Br"	78.918885
"1305097"	447.205572	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Cl+HCOOH"	80.974872
"1320283"	469.187529	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Cl+NaCOOH"	102.956829
"911746"	479.216286	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M-H+CF3COOH"	112.985586
"1288656"	515.192964	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Cl+CF3COOH"	148.962264
"1371683"	331.218024	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H-2H2O"	-35.012676
"1382934"	349.228	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H-H2O"	-17.0027
"284127"	733.468676	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+H"	1.007276
"678738"	1099.699376	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+H"	1.007276
"1362377"	367.237976	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H"	1.007276
"130892"	367.237976	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+2H"	2.014552
"568266"	550.353326	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+2H"	2.014552
"1037277"	184.122626	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2H"	2.014552
"207154"	245.161076	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+3H"	3.021828
"647075"	367.237976	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+3H"	3.021828
"1166293"	123.084176	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+3H"	3.021828
"431391"	750.495223	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+NH4"	18.033823
"792385"	1116.725923	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+NH4"	18.033823
"1686531"	384.264523	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+NH4"	18.033823
"335901"	375.7512495	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+H+NH4"	19.041099
"728322"	558.8665995	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+H+NH4"	19.041099
"1482143"	192.6358995	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H+NH4"	19.041099
"398636"	755.450618	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+Na"	22.989218
"761820"	1121.681318	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+Na"	22.989218
"1609919"	389.219918	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Na"	22.989218
"318860"	378.228947	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+H+Na"	23.996494
"707129"	561.344297	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+H+Na"	23.996494
"1463042"	195.113597	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H+Na"	23.996494
"1053161"	130.41149	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2H+Na"	25.00377
"1257186"	399.264186	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+CH3OH+H"	33.033486
"377126"	771.424558	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+K"	38.963158
"739602"	1137.655258	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+K"	38.963158
"1543839"	405.193858	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+K"	38.963158
"302112"	386.215917	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+H+K"	39.970434
"692347"	569.331267	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+H+K"	39.970434
"1449447"	203.100567	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H+K"	39.970434
"242421"	774.495226	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+ACN+H"	42.033826
"1221696"	408.264526	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+ACN+H"	42.033826
"1201205"	204.635901	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+ACN+2H"	43.041102
"191890"	777.43256	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+2Na-H"	44.97116
"632548"	1143.66326	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+2Na-H"	44.97116
"1138245"	411.20186	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2Na-H"	44.97116
"178254"	389.219918	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+2Na"	45.978436
"620004"	572.335268	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+2Na"	45.978436
"1120229"	206.104568	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2Na"	45.978436
"1407033"	137.738804	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H+2Na"	46.985712
"1435870"	413.243446	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H+HCOOH"	47.012746
"226659"	394.25294	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+3H2O+2H"	56.04448
"1515815"	427.29549	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+IsoProp+H"	61.06479
"415500"	397.206888	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+Na+K"	61.952376
"775405"	580.322238	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+Na+K"	61.952376
"1671738"	214.091538	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Na+K"	61.952376
"261539"	796.477168	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+ACN+Na"	64.015768
"1235342"	430.246468	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+ACN+Na"	64.015768
"1718761"	430.269993	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+NH4+HCOOH"	64.039293
"1182291"	145.066118	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+3Na"	68.967654
"1652181"	435.225388	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Na+HCOOH"	68.994688
"160138"	809.38044	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+2K-H"	76.91904
"600792"	1175.61114	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+2K-H"	76.91904
"1088587"	443.14974	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2K-H"	76.91904
"145041"	405.193858	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"2M+2K"	77.926316
"590070"	588.309208	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"3M+2K"	77.926316
"1080049"	222.078508	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2K"	77.926316
"1109977"	445.164292	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2K+H"	78.933592
"1350374"	445.251907	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+DMSO+H"	79.021207
"1019874"	449.291076	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2ACN+H"	83.060376
"1539337"	450.284708	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+IsoProp+Na+H"	84.054008
"1003837"	225.149176	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+2ACN+2H"	84.067652
"1599431"	451.199328	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+K+HCOOH"	84.968628
"1421812"	481.230838	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+H+CF3COOH"	115.000138
"1151006"	245.662451	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+3ACN+2H"	125.094202
"1699469"	498.257385	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+NH4+CF3COOH"	132.026685
"1634506"	503.21278	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+Na+CF3COOH"	136.98208
"1579522"	519.18672	"C20438"	"Fumigaclavine C"	"C23H30N2O2"	"366.2307"	"M+K+CF3COOH"	152.95602
"803326"	419.09	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M"	0
"986701"	400.07161	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-H2O-H"	-19.01839
"76041"	278.386057333333	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M-3H"	-3.021828
"510137"	418.082724	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M-3H"	-3.021828
"884658"	138.689390666667	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-3H"	-3.021828
"8699"	418.082724	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M-2H"	-2.014552
"443886"	627.627724	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M-2H"	-2.014552
"821689"	208.537724	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-2H"	-2.014552
"82409"	837.172724	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M-H"	-1.007276
"526710"	1256.262724	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M-H"	-1.007276
"904510"	418.082724	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-H"	-1.007276
"56697"	854.199271	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M-2H+NH4"	16.019271
"492611"	1273.289271	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M-2H+NH4"	16.019271
"866768"	435.109271	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-2H+NH4"	16.019271
"34668"	859.154666	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M-2H+Na"	20.974666
"477512"	1278.244666	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M-2H+Na"	20.974666
"858232"	440.064666	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-2H+Na"	20.974666
"1629590"	440.064666	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Na-2H"	20.974666
"105390"	436.071063	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M-H+Cl"	33.962126
"543858"	645.616063	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M-H+Cl"	33.962126
"928989"	226.526063	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-H+Cl"	33.962126
"275933"	873.149402	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+Cl"	34.969402
"673463"	1292.239402	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+Cl"	34.969402
"1278579"	454.059402	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Cl"	34.969402
"16760"	875.128606	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M-2H+K"	36.948606
"455828"	1294.218606	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M-2H+K"	36.948606
"837403"	456.038606	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-2H+K"	36.948606
"1558338"	456.038606	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+K-2H"	36.948606
"946588"	464.088194	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-H+HCOOH"	44.998194
"363708"	883.178201	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+HCOOH-H"	44.998201
"349050"	897.193851	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+Hac-H"	59.013851
"1495697"	478.103851	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Hac-H"	59.013851
"960320"	486.070151	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-H+NaCOOH"	66.980151
"116157"	454.059402	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+2Cl"	69.938804
"552801"	663.604402	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+2Cl"	69.938804
"1026704"	244.514402	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2Cl"	69.938804
"1243004"	498.008885	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Br"	78.918885
"1308732"	500.064872	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Cl+HCOOH"	80.974872
"1322948"	522.046829	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Cl+NaCOOH"	102.956829
"911859"	532.075586	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M-H+CF3COOH"	112.985586
"1288726"	568.052264	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Cl+CF3COOH"	148.962264
"1371065"	384.077324	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H-2H2O"	-35.012676
"1383133"	402.0873	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H-H2O"	-17.0027
"286424"	839.187276	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+H"	1.007276
"685045"	1258.277276	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+H"	1.007276
"1362489"	420.097276	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H"	1.007276
"133190"	420.097276	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+2H"	2.014552
"573844"	629.642276	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+2H"	2.014552
"1039366"	210.552276	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2H"	2.014552
"206531"	280.400609333333	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+3H"	3.021828
"645361"	420.097276	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+3H"	3.021828
"1167132"	140.703942666667	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+3H"	3.021828
"433689"	856.213823	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+NH4"	18.033823
"792497"	1275.303823	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+NH4"	18.033823
"1687734"	437.123823	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+NH4"	18.033823
"334919"	428.6105495	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+H+NH4"	19.041099
"726249"	638.1555495	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+H+NH4"	19.041099
"1481163"	219.0655495	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H+NH4"	19.041099
"399840"	861.169218	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+Na"	22.989218
"760837"	1280.259218	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+Na"	22.989218
"1612217"	442.079218	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Na"	22.989218
"318970"	431.088247	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+H+Na"	23.996494
"710302"	640.633247	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+H+Na"	23.996494
"1463031"	221.543247	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H+Na"	23.996494
"1054331"	148.031256666667	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2H+Na"	25.00377
"1258322"	452.123486	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+CH3OH+H"	33.033486
"378719"	877.143158	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+K"	38.963158
"739469"	1296.233158	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+K"	38.963158
"1543955"	458.053158	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+K"	38.963158
"307692"	439.075217	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+H+K"	39.970434
"700113"	648.620217	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+H+K"	39.970434
"1458674"	229.530217	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H+K"	39.970434
"244723"	880.213826	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+ACN+H"	42.033826
"1216339"	461.123826	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+ACN+H"	42.033826
"1202408"	231.065551	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+ACN+2H"	43.041102
"194186"	883.15116	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+2Na-H"	44.97116
"634842"	1302.24116	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+2Na-H"	44.97116
"1132760"	464.06116	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2Na-H"	44.97116
"176906"	442.079218	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+2Na"	45.978436
"620113"	651.624218	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+2Na"	45.978436
"1120341"	232.534218	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2Na"	45.978436
"1407145"	155.358570666667	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H+2Na"	46.985712
"1435980"	466.102746	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H+HCOOH"	47.012746
"226769"	447.11224	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+3H2O+2H"	56.04448
"1514830"	480.15479	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+IsoProp+H"	61.06479
"412332"	450.066188	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+Na+K"	61.952376
"771505"	659.611188	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+Na+K"	61.952376
"1674036"	240.521188	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Na+K"	61.952376
"260556"	902.195768	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+ACN+Na"	64.015768
"1234359"	483.105768	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+ACN+Na"	64.015768
"1717779"	483.129293	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+NH4+HCOOH"	64.039293
"1179486"	162.685884666667	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+3Na"	68.967654
"1653017"	488.084688	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Na+HCOOH"	68.994688
"159156"	915.09904	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+2K-H"	76.91904
"599448"	1334.18904	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+2K-H"	76.91904
"1088696"	496.00904	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2K-H"	76.91904
"147334"	458.053158	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"2M+2K"	77.926316
"586897"	667.598158	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"3M+2K"	77.926316
"1072503"	248.508158	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2K"	77.926316
"1111181"	498.023592	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2K+H"	78.933592
"1349633"	498.111207	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+DMSO+H"	79.021207
"1020957"	502.150376	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2ACN+H"	83.060376
"1539788"	503.144008	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+IsoProp+Na+H"	84.054008
"1005529"	251.578826	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+2ACN+2H"	84.067652
"1599541"	504.058628	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+K+HCOOH"	84.968628
"1418640"	534.090138	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+H+CF3COOH"	115.000138
"1151116"	272.092101	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+3ACN+2H"	125.094202
"1699579"	551.116685	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+NH4+CF3COOH"	132.026685
"1635224"	556.07208	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+Na+CF3COOH"	136.98208
"1579632"	572.04602	"C20439"	"NBMPR;4-Nitrobenzylthioinosine"	"C17H17N5O6S"	"419.09"	"M+K+CF3COOH"	152.95602
"814741"	291.9749	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M"	0
"986812"	272.95651	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-H2O-H"	-19.01839
"70686"	193.642657333333	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M-3H"	-3.021828
"508057"	290.967624	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M-3H"	-3.021828
"883673"	96.3176906666666	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-3H"	-3.021828
"4433"	290.967624	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M-2H"	-2.014552
"441443"	436.955074	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M-2H"	-2.014552
"819610"	144.980174	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-2H"	-2.014552
"82884"	582.942524	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M-H"	-1.007276
"530100"	874.917424	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M-H"	-1.007276
"904620"	290.967624	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-H"	-1.007276
"60088"	599.969071	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M-2H+NH4"	16.019271
"497461"	891.943971	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M-2H+NH4"	16.019271
"869066"	307.994171	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-2H+NH4"	16.019271
"45717"	604.924466	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M-2H+Na"	20.974666
"477622"	896.899366	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M-2H+Na"	20.974666
"858342"	312.949566	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-2H+Na"	20.974666
"1630063"	312.949566	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Na-2H"	20.974666
"107685"	308.955963	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M-H+Cl"	33.962126
"543967"	454.943413	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M-H+Cl"	33.962126
"940285"	162.968513	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-H+Cl"	33.962126
"278962"	618.919202	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+Cl"	34.969402
"672113"	910.894102	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+Cl"	34.969402
"1285979"	326.944302	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Cl"	34.969402
"17964"	620.898406	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M-2H+K"	36.948606
"457523"	912.873306	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M-2H+K"	36.948606
"838606"	328.923506	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-2H+K"	36.948606
"1557720"	328.923506	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+K-2H"	36.948606
"943050"	336.973094	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-H+HCOOH"	44.998194
"366008"	628.948001	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+HCOOH-H"	44.998201
"347703"	642.963651	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+Hac-H"	59.013851
"1493251"	350.988751	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Hac-H"	59.013851
"959339"	358.955051	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-H+NaCOOH"	66.980151
"112621"	326.944302	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+2Cl"	69.938804
"554736"	472.931752	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+2Cl"	69.938804
"1024628"	180.956852	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2Cl"	69.938804
"1242381"	370.893785	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Br"	78.918885
"1306651"	372.949772	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Cl+HCOOH"	80.974872
"1320378"	394.931729	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Cl+NaCOOH"	102.956829
"911925"	404.960486	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M-H+CF3COOH"	112.985586
"1289119"	440.937164	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Cl+CF3COOH"	148.962264
"1370081"	256.962224	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H-2H2O"	-35.012676
"1384297"	274.9722	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H-H2O"	-17.0027
"283733"	584.957076	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+H"	1.007276
"685155"	876.931976	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+H"	1.007276
"1357133"	292.982176	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H"	1.007276
"135487"	292.982176	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+2H"	2.014552
"566417"	438.969626	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+2H"	2.014552
"1038376"	146.994726	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2H"	2.014552
"206765"	195.657209333333	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+3H"	3.021828
"648754"	292.982176	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+3H"	3.021828
"1166878"	98.3322426666667	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+3H"	3.021828
"430151"	601.983623	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+NH4"	18.033823
"792607"	893.958523	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+NH4"	18.033823
"1686020"	310.008723	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+NH4"	18.033823
"335029"	301.4954495	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+H+NH4"	19.041099
"726357"	447.4828995	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+H+NH4"	19.041099
"1483461"	155.5079995	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H+NH4"	19.041099
"396670"	606.939018	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+Na"	22.989218
"757666"	898.913918	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+Na"	22.989218
"1612325"	314.964118	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Na"	22.989218
"316899"	303.973147	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+H+Na"	23.996494
"710415"	449.960597	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+H+Na"	23.996494
"1464234"	157.985697	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H+Na"	23.996494
"1054199"	105.659556666667	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2H+Na"	25.00377
"1257331"	325.008386	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+CH3OH+H"	33.033486
"379193"	622.912958	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+K"	38.963158
"738968"	914.887858	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+K"	38.963158
"1543335"	330.938058	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+K"	38.963158
"307802"	311.960117	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+H+K"	39.970434
"703504"	457.947567	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+H+K"	39.970434
"1459148"	165.972667	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H+K"	39.970434
"240460"	625.983626	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+ACN+H"	42.033826
"1216450"	334.008726	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+ACN+H"	42.033826
"1200332"	167.508001	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+ACN+2H"	43.041102
"194297"	628.92096	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+2Na-H"	44.97116
"634952"	920.89586	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+2Na-H"	44.97116
"1138467"	336.94606	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2Na-H"	44.97116
"181757"	314.964118	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+2Na"	45.978436
"621317"	460.951568	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+2Na"	45.978436
"1120449"	168.976668	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2Na"	45.978436
"1403974"	112.986870666667	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H+2Na"	46.985712
"1433902"	338.987646	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H+HCOOH"	47.012746
"226880"	319.99714	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+3H2O+2H"	56.04448
"1513848"	353.03969	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+IsoProp+H"	61.06479
"413536"	322.951088	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+Na+K"	61.952376
"776718"	468.938538	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+Na+K"	61.952376
"1670864"	176.963638	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Na+K"	61.952376
"257385"	647.965568	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+ACN+Na"	64.015768
"1226816"	355.990668	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+ACN+Na"	64.015768
"1713878"	356.014193	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+NH4+HCOOH"	64.039293
"1181053"	120.314184666667	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+3Na"	68.967654
"1653132"	360.969588	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Na+HCOOH"	68.994688
"164371"	660.86884	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+2K-H"	76.91904
"602836"	952.84374	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+2K-H"	76.91904
"1093910"	368.89394	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2K-H"	76.91904
"155104"	330.938058	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"2M+2K"	77.926316
"595392"	476.925508	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"3M+2K"	77.926316
"1079176"	184.950608	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2K"	77.926316
"1113480"	370.908492	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2K+H"	78.933592
"1351182"	370.996107	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+DMSO+H"	79.021207
"1020946"	375.035276	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2ACN+H"	83.060376
"1535423"	376.028908	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+IsoProp+Na+H"	84.054008
"1004545"	188.021276	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+2ACN+2H"	84.067652
"1600747"	376.943528	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+K+HCOOH"	84.968628
"1426405"	406.975038	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+H+CF3COOH"	115.000138
"1148310"	208.534551	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+3ACN+2H"	125.094202
"1697494"	424.001585	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+NH4+CF3COOH"	132.026685
"1641902"	428.95698	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+Na+CF3COOH"	136.98208
"1579742"	444.93092	"C20440"	"alpha-D-Ribose 12-cyclic phosphate 5-phosphate;5-Phospho-alpha-D-ribose 12-cyclic phosphate"	"C5H10O10P2"	"291.9749"	"M+K+CF3COOH"	152.95602
"803546"	98.0368	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M"	0
"988988"	79.01841	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-H2O-H"	-19.01839
"70796"	64.3505906666667	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M-3H"	-3.021828
"508167"	97.029524	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M-3H"	-3.021828
"888156"	31.6716573333333	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-3H"	-3.021828
"5636"	97.029524	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M-2H"	-2.014552
"443375"	146.047924	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M-2H"	-2.014552
"818626"	48.011124	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-2H"	-2.014552
"82628"	195.066324	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M-H"	-1.007276
"524012"	293.103124	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M-H"	-1.007276
"902543"	97.029524	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-H"	-1.007276
"56919"	212.092871	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M-2H+NH4"	16.019271
"490280"	310.129671	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M-2H+NH4"	16.019271
"869176"	114.056071	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-2H+NH4"	16.019271
"35982"	217.048266	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M-2H+Na"	20.974666
"480648"	315.085066	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M-2H+Na"	20.974666
"857359"	119.011466	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-2H+Na"	20.974666
"1630173"	119.011466	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Na-2H"	20.974666
"108767"	115.017863	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M-H+Cl"	33.962126
"544075"	164.036263	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M-H+Cl"	33.962126
"941002"	65.999463	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-H+Cl"	33.962126
"280165"	231.043002	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+Cl"	34.969402
"668577"	329.079802	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+Cl"	34.969402
"1287428"	133.006202	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Cl"	34.969402
"24635"	233.022206	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M-2H+K"	36.948606
"465288"	331.059006	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M-2H+K"	36.948606
"840903"	134.985406	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-2H+K"	36.948606
"1557464"	134.985406	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+K-2H"	36.948606
"945714"	143.034994	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-H+HCOOH"	44.998194
"365388"	241.071801	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+HCOOH-H"	44.998201
"348906"	255.087451	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+Hac-H"	59.013851
"1494455"	157.050651	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Hac-H"	59.013851
"961636"	165.016951	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-H+NaCOOH"	66.980151
"112730"	133.006202	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+2Cl"	69.938804
"554845"	182.024602	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+2Cl"	69.938804
"1026925"	83.987802	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2Cl"	69.938804
"1243219"	176.955685	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Br"	78.918885
"1304694"	179.011672	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Cl+HCOOH"	80.974872
"1320249"	200.993629	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Cl+NaCOOH"	102.956829
"911708"	211.022386	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M-H+CF3COOH"	112.985586
"1288941"	246.999064	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Cl+CF3COOH"	148.962264
"1368732"	63.024124	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H-2H2O"	-35.012676
"1385498"	81.0341	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H-H2O"	-17.0027
"283358"	197.080876	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+H"	1.007276
"681985"	295.117676	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+H"	1.007276
"1355056"	99.044076	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H"	1.007276
"134504"	99.044076	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+2H"	2.014552
"568599"	148.062476	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+2H"	2.014552
"1038851"	50.025676	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2H"	2.014552
"207118"	66.3651426666667	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+3H"	3.021828
"648135"	99.044076	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+3H"	3.021828
"1168082"	33.6862093333333	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+3H"	3.021828
"428806"	214.107423	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+NH4"	18.033823
"793810"	312.144223	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+NH4"	18.033823
"1685401"	116.070623	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+NH4"	18.033823
"334045"	107.5573495	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+H+NH4"	19.041099
"727562"	156.5757495	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+H+NH4"	19.041099
"1483571"	58.5389495	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H+NH4"	19.041099
"397876"	219.062818	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+Na"	22.989218
"758871"	317.099618	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+Na"	22.989218
"1611343"	121.026018	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Na"	22.989218
"316277"	110.035047	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+H+Na"	23.996494
"708580"	159.053447	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+H+Na"	23.996494
"1462399"	61.016647	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H+Na"	23.996494
"1054424"	41.0135233333333	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2H+Na"	25.00377
"1257321"	131.070286	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+CH3OH+H"	33.033486
"378694"	235.036758	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+K"	38.963158
"739689"	333.073558	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+K"	38.963158
"1541621"	136.999958	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+K"	38.963158
"304632"	118.022017	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+H+K"	39.970434
"695960"	167.040417	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+H+K"	39.970434
"1453061"	69.003617	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H+K"	39.970434
"239839"	238.107426	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+ACN+H"	42.033826
"1212186"	140.070626	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+ACN+H"	42.033826
"1197528"	70.538951	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+ACN+2H"	43.041102
"191490"	241.04476	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+2Na-H"	44.97116
"631781"	339.08156	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+2Na-H"	44.97116
"1139670"	143.00796	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2Na-H"	44.97116
"181867"	121.026018	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+2Na"	45.978436
"621427"	170.044418	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+2Na"	45.978436
"1121653"	72.007618	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2Na"	45.978436
"1405177"	48.3408373333333	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H+2Na"	46.985712
"1434012"	145.049546	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H+HCOOH"	47.012746
"226990"	126.05904	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+3H2O+2H"	56.04448
"1515051"	159.10159	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+IsoProp+H"	61.06479
"416926"	129.012988	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+Na+K"	61.952376
"781202"	178.031388	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+Na+K"	61.952376
"1672067"	79.994588	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Na+K"	61.952376
"257496"	260.089368	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+ACN+Na"	64.015768
"1232393"	162.052568	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+ACN+Na"	64.015768
"1716175"	162.076093	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+NH4+HCOOH"	64.039293
"1181165"	55.6681513333333	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+3Na"	68.967654
"1653243"	167.031488	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Na+HCOOH"	68.994688
"165573"	272.99264	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+2K-H"	76.91904
"601852"	371.02944	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+2K-H"	76.91904
"1094021"	174.95584	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2K-H"	76.91904
"155214"	136.999958	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"2M+2K"	77.926316
"593679"	186.018358	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"3M+2K"	77.926316
"1083661"	87.981558	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2K"	77.926316
"1113224"	176.970392	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2K+H"	78.933592
"1349732"	177.058007	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+DMSO+H"	79.021207
"1021325"	181.097176	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2ACN+H"	83.060376
"1537477"	182.090808	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+IsoProp+Na+H"	84.054008
"1001980"	91.052226	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+2ACN+2H"	84.067652
"1599763"	183.005428	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+K+HCOOH"	84.968628
"1425422"	213.036938	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+H+CF3COOH"	115.000138
"1151336"	111.565501	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+3ACN+2H"	125.094202
"1697605"	230.063485	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+NH4+CF3COOH"	132.026685
"1642012"	235.01888	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+Na+CF3COOH"	136.98208
"1579852"	250.99282	"C20441"	"Furfuryl alcohol;2-Furancarbinol;2-Furanmethanol"	"C5H6O2"	"98.0368"	"M+K+CF3COOH"	152.95602
"806937"	128.0473	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M"	0
"987037"	109.02891	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-H2O-H"	-19.01839
"75280"	84.3575906666667	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M-3H"	-3.021828
"510464"	127.040024	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M-3H"	-3.021828
"890453"	41.6751573333333	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-3H"	-3.021828
"4654"	127.040024	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M-2H"	-2.014552
"443485"	191.063674	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M-2H"	-2.014552
"823111"	63.016374	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-2H"	-2.014552
"82369"	255.087324	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M-H"	-1.007276
"523028"	383.134624	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M-H"	-1.007276
"902653"	127.040024	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-H"	-1.007276
"54841"	272.113871	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M-2H+NH4"	16.019271
"494401"	400.161171	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M-2H+NH4"	16.019271
"869286"	144.066571	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-2H+NH4"	16.019271
"43387"	277.069266	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M-2H+Na"	20.974666
"481855"	405.116566	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M-2H+Na"	20.974666
"862939"	149.021966	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-2H+Na"	20.974666
"1633565"	149.021966	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Na-2H"	20.974666
"106813"	145.028363	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M-H+Cl"	33.962126
"543098"	209.052013	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M-H+Cl"	33.962126
"941962"	81.004713	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-H+Cl"	33.962126
"281614"	291.064002	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+Cl"	34.969402
"670874"	419.111302	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+Cl"	34.969402
"1286564"	163.016702	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Cl"	34.969402
"28027"	293.043206	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M-2H+K"	36.948606
"467585"	421.090506	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M-2H+K"	36.948606
"843929"	164.995906	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-2H+K"	36.948606
"1565594"	164.995906	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+K-2H"	36.948606
"947644"	173.045494	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-H+HCOOH"	44.998194
"367319"	301.092801	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+HCOOH-H"	44.998201
"348651"	315.108451	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+Hac-H"	59.013851
"1497485"	187.061151	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Hac-H"	59.013851
"965393"	195.027451	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-H+NaCOOH"	66.980151
"116489"	163.016702	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+2Cl"	69.938804
"558236"	227.040352	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+2Cl"	69.938804
"1027034"	98.993052	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2Cl"	69.938804
"1246610"	206.966185	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Br"	78.918885
"1310152"	209.022172	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Cl+HCOOH"	80.974872
"1325463"	231.004129	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Cl+NaCOOH"	102.956829
"912512"	241.032886	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M-H+CF3COOH"	112.985586
"1297605"	277.009564	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Cl+CF3COOH"	148.962264
"1371392"	93.034624	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H-2H2O"	-35.012676
"1388889"	111.0446	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H-H2O"	-17.0027
"285301"	257.101876	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+H"	1.007276
"682095"	385.149176	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+H"	1.007276
"1356259"	129.054576	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H"	1.007276
"130242"	129.054576	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+2H"	2.014552
"566887"	193.078226	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+2H"	2.014552
"1039328"	65.030926	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2H"	2.014552
"207959"	86.3721426666667	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+3H"	3.021828
"649339"	129.054576	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+3H"	3.021828
"1170745"	43.6897093333333	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+3H"	3.021828
"429643"	274.128423	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+NH4"	18.033823
"796108"	402.175723	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+NH4"	18.033823
"1685512"	146.081123	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+NH4"	18.033823
"335248"	137.5678495	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+H+NH4"	19.041099
"727673"	201.5914995	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+H+NH4"	19.041099
"1483680"	73.5441995	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H+NH4"	19.041099
"399080"	279.083818	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+Na"	22.989218
"760074"	407.131118	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+Na"	22.989218
"1609265"	151.036518	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Na"	22.989218
"319303"	140.045547	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+H+Na"	23.996494
"709541"	204.069197	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+H+Na"	23.996494
"1463360"	76.021897	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H+Na"	23.996494
"1057695"	51.0170233333333	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2H+Na"	25.00377
"1259738"	161.080786	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+CH3OH+H"	33.033486
"380141"	295.057758	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+K"	38.963158
"742231"	423.105058	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+K"	38.963158
"1545377"	167.010458	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+K"	38.963158
"304741"	148.032517	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+H+K"	39.970434
"700443"	212.056167	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+H+K"	39.970434
"1449526"	84.008867	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H+K"	39.970434
"240678"	298.128426	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+ACN+H"	42.033826
"1213753"	170.081126	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+ACN+H"	42.033826
"1197271"	85.544201	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+ACN+2H"	43.041102
"192328"	301.06576	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+2Na-H"	44.97116
"632985"	429.11306	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+2Na-H"	44.97116
"1135038"	173.01846	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2Na-H"	44.97116
"179790"	151.036518	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+2Na"	45.978436
"622630"	215.060168	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+2Na"	45.978436
"1122856"	87.012868	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2Na"	45.978436
"1410755"	58.3443373333333	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H+2Na"	46.985712
"1433030"	175.060046	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H+HCOOH"	47.012746
"229287"	156.06954	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+3H2O+2H"	56.04448
"1515163"	189.11209	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+IsoProp+H"	61.06479
"418129"	159.023488	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+Na+K"	61.952376
"781315"	223.047138	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+Na+K"	61.952376
"1671086"	94.999838	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Na+K"	61.952376
"257607"	320.110368	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+ACN+Na"	64.015768
"1230319"	192.063068	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+ACN+Na"	64.015768
"1719201"	192.086593	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+NH4+HCOOH"	64.039293
"1182368"	65.6716513333333	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+3Na"	68.967654
"1655541"	197.041988	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Na+HCOOH"	68.994688
"166776"	333.01364	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+2K-H"	76.91904
"603058"	461.06094	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+2K-H"	76.91904
"1094133"	204.96634	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2K-H"	76.91904
"145479"	167.010458	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"2M+2K"	77.926316
"594884"	231.034108	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"3M+2K"	77.926316
"1079397"	102.986808	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2K"	77.926316
"1106042"	206.980892	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2K+H"	78.933592
"1349963"	207.068507	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+DMSO+H"	79.021207
"1020436"	211.107676	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2ACN+H"	83.060376
"1538683"	212.101308	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+IsoProp+Na+H"	84.054008
"1004035"	106.057476	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+2ACN+2H"	84.067652
"1601938"	213.015928	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+K+HCOOH"	84.968628
"1424439"	243.047438	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+H+CF3COOH"	115.000138
"1150353"	126.570751	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+3ACN+2H"	125.094202
"1698813"	260.073985	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+NH4+CF3COOH"	132.026685
"1642122"	265.02938	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+Na+CF3COOH"	136.98208
"1579963"	281.00332	"C20443"	"5-Hydroxymethylfurfuryl alcohol;25-Bis(hydroxymethyl)furan"	"C6H8O3"	"128.0473"	"M+K+CF3COOH"	152.95602
"803767"	312.0634	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M"	0
"986054"	293.04501	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-H2O-H"	-19.01839
"75390"	207.034990666667	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M-3H"	-3.021828
"510574"	311.056124	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M-3H"	-3.021828
"885096"	103.013857333333	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-3H"	-3.021828
"5858"	311.056124	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M-2H"	-2.014552
"443596"	467.087824	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M-2H"	-2.014552
"821399"	155.024424	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-2H"	-2.014552
"82116"	623.119524	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M-H"	-1.007276
"523137"	935.182924	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M-H"	-1.007276
"903857"	311.056124	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-H"	-1.007276
"52764"	640.146071	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M-2H+NH4"	16.019271
"492688"	952.209471	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M-2H+NH4"	16.019271
"869396"	328.082671	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-2H+NH4"	16.019271
"41311"	645.101466	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M-2H+Na"	20.974666
"483059"	957.164866	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M-2H+Na"	20.974666
"860861"	333.038066	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-2H+Na"	20.974666
"1632581"	333.038066	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Na-2H"	20.974666
"108017"	329.044463	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M-H+Cl"	33.962126
"541017"	485.076163	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M-H+Cl"	33.962126
"930524"	173.012763	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-H+Cl"	33.962126
"275282"	659.096202	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+Cl"	34.969402
"664422"	971.159602	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+Cl"	34.969402
"1282297"	347.032802	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Cl"	34.969402
"23759"	661.075406	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M-2H+K"	36.948606
"460767"	973.138806	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M-2H+K"	36.948606
"837111"	349.012006	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-2H+K"	36.948606
"1557682"	349.012006	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+K-2H"	36.948606
"948846"	357.061594	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-H+HCOOH"	44.998194
"366334"	669.125001	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+HCOOH-H"	44.998201
"345882"	683.140651	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+Hac-H"	59.013851
"1496864"	371.077251	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Hac-H"	59.013851
"962947"	379.043551	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-H+NaCOOH"	66.980151
"113678"	347.032802	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+2Cl"	69.938804
"557248"	503.064502	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+2Cl"	69.938804
"1026415"	191.001102	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2Cl"	69.938804
"1246359"	390.982285	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Br"	78.918885
"1309168"	393.038272	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Cl+HCOOH"	80.974872
"1324479"	415.020229	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Cl+NaCOOH"	102.956829
"911891"	425.048986	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M-H+CF3COOH"	112.985586
"1295528"	461.025664	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Cl+CF3COOH"	148.962264
"1369314"	277.050724	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H-2H2O"	-35.012676
"1391186"	295.0607	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H-H2O"	-17.0027
"286868"	625.134076	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+H"	1.007276
"683299"	937.197476	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+H"	1.007276
"1357462"	313.070676	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H"	1.007276
"133632"	313.070676	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+2H"	2.014552
"567600"	469.102376	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+2H"	2.014552
"1038828"	157.038976	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2H"	2.014552
"206730"	209.049542666667	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+3H"	3.021828
"649813"	313.070676	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+3H"	3.021828
"1171949"	105.028409333333	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+3H"	3.021828
"430848"	642.160623	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+NH4"	18.033823
"792938"	954.224023	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+NH4"	18.033823
"1684165"	330.097223	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+NH4"	18.033823
"334266"	321.5839495	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+H+NH4"	19.041099
"727783"	477.6156495	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+H+NH4"	19.041099
"1483790"	165.5522495	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H+NH4"	19.041099
"398097"	647.116018	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+Na"	22.989218
"761277"	959.179418	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+Na"	22.989218
"1609375"	335.052618	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Na"	22.989218
"317226"	324.061647	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+H+Na"	23.996494
"707193"	480.093347	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+H+Na"	23.996494
"1461884"	168.029947	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H+Na"	23.996494
"1054888"	112.355723333333	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2H+Na"	25.00377
"1257540"	345.096886	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+CH3OH+H"	33.033486
"378301"	663.089958	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+K"	38.963158
"741607"	975.153358	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+K"	38.963158
"1543664"	351.026558	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+K"	38.963158
"304851"	332.048617	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+H+K"	39.970434
"699459"	488.080317	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+H+K"	39.970434
"1449636"	176.016917	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H+K"	39.970434
"239331"	666.160626	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+ACN+H"	42.033826
"1215687"	354.097226	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+ACN+H"	42.033826
"1196289"	177.552251	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+ACN+2H"	43.041102
"189889"	669.09796	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+2Na-H"	44.97116
"633824"	981.16136	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+2Na-H"	44.97116
"1137700"	357.03456	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2Na-H"	44.97116
"184275"	335.052618	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+2Na"	45.978436
"623834"	491.084318	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+2Na"	45.978436
"1127340"	179.020918	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2Na"	45.978436
"1411595"	119.683037333333	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H+2Na"	46.985712
"1441886"	359.076146	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H+HCOOH"	47.012746
"225021"	340.08564	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+3H2O+2H"	56.04448
"1515271"	373.12819	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+IsoProp+H"	61.06479
"417145"	343.039588	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+Na+K"	61.952376
"780330"	499.071288	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+Na+K"	61.952376
"1670467"	187.007888	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Na+K"	61.952376
"260997"	688.142568	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+ACN+Na"	64.015768
"1230428"	376.079168	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+ACN+Na"	64.015768
"1718220"	376.102693	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+NH4+HCOOH"	64.039293
"1187947"	127.010351333333	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+3Na"	68.967654
"1658933"	381.058088	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Na+HCOOH"	68.994688
"167983"	701.04584	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+2K-H"	76.91904
"606451"	1013.10924	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+2K-H"	76.91904
"1096430"	388.98244	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2K-H"	76.91904
"151061"	351.026558	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"2M+2K"	77.926316
"594995"	507.058258	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"3M+2K"	77.926316
"1082668"	194.994858	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2K"	77.926316
"1109433"	390.996992	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2K+H"	78.933592
"1351048"	391.084607	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+DMSO+H"	79.021207
"1020913"	395.123776	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2ACN+H"	83.060376
"1539403"	396.117408	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+IsoProp+Na+H"	84.054008
"1005615"	198.065526	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+2ACN+2H"	84.067652
"1602292"	397.032028	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+K+HCOOH"	84.968628
"1423456"	427.063538	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+H+CF3COOH"	115.000138
"1153743"	218.578801	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+3ACN+2H"	125.094202
"1700016"	444.090085	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+NH4+CF3COOH"	132.026685
"1642232"	449.04548	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+Na+CF3COOH"	136.98208
"1580073"	465.01942	"C20444"	"Dihydrodemethylsterigmatocystin;DHDMST"	"C17H12O6"	"312.0634"	"M+K+CF3COOH"	152.95602
"803877"	326.079	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M"	0
"986894"	307.06061	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-H2O-H"	-19.01839
"74409"	216.378724	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M-3H"	-3.021828
"507405"	325.071724	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M-3H"	-3.021828
"888487"	107.685724	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-3H"	-3.021828
"2689"	325.071724	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M-2H"	-2.014552
"441156"	488.111224	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M-2H"	-2.014552
"820416"	162.032224	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-2H"	-2.014552
"82228"	651.150724	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M-H"	-1.007276
"523977"	977.229724	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M-H"	-1.007276
"902874"	325.071724	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-H"	-1.007276
"52145"	668.177271	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M-2H+NH4"	16.019271
"492069"	994.256271	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M-2H+NH4"	16.019271
"872422"	342.098271	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-2H+NH4"	16.019271
"39232"	673.132666	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M-2H+Na"	20.974666
"482075"	999.211666	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M-2H+Na"	20.974666
"862794"	347.053666	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-2H+Na"	20.974666
"1632327"	347.053666	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Na-2H"	20.974666
"107033"	343.060063	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M-H+Cl"	33.962126
"540034"	506.099563	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M-H+Cl"	33.962126
"931364"	180.020563	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-H+Cl"	33.962126
"275392"	687.127402	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+Cl"	34.969402
"663439"	1013.206402	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+Cl"	34.969402
"1284594"	361.048402	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Cl"	34.969402
"27149"	689.106606	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M-2H+K"	36.948606
"457597"	1015.185606	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M-2H+K"	36.948606
"835399"	363.027606	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-2H+K"	36.948606
"1557792"	363.027606	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+K-2H"	36.948606
"945311"	371.077194	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-H+HCOOH"	44.998194
"362069"	697.156201	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+HCOOH-H"	44.998201
"348504"	711.171851	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+Hac-H"	59.013851
"1494422"	385.092851	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Hac-H"	59.013851
"962694"	393.059151	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-H+NaCOOH"	66.980151
"115247"	361.048402	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+2Cl"	69.938804
"555174"	524.087902	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+2Cl"	69.938804
"1028346"	198.008902	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2Cl"	69.938804
"1245375"	404.997885	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Br"	78.918885
"1307093"	407.053872	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Cl+HCOOH"	80.974872
"1322404"	429.035829	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Cl+NaCOOH"	102.956829
"913098"	439.064586	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M-H+CF3COOH"	112.985586
"1291264"	475.041264	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Cl+CF3COOH"	148.962264
"1371976"	291.066324	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H-2H2O"	-35.012676
"1385463"	309.0763	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H-H2O"	-17.0027
"288800"	653.165276	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+H"	1.007276
"682314"	979.244276	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+H"	1.007276
"1355384"	327.086276	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H"	1.007276
"132648"	327.086276	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+2H"	2.014552
"568927"	490.125776	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+2H"	2.014552
"1038090"	164.046776	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2H"	2.014552
"205139"	218.393276	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+3H"	3.021828
"648466"	327.086276	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+3H"	3.021828
"1169872"	109.700276	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+3H"	3.021828
"429865"	670.191823	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+NH4"	18.033823
"793048"	996.270823	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+NH4"	18.033823
"1681968"	344.112823	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+NH4"	18.033823
"332190"	335.5995495	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+H+NH4"	19.041099
"726800"	498.6390495	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+H+NH4"	19.041099
"1482807"	172.5600495	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H+NH4"	19.041099
"398207"	675.147218	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+Na"	22.989218
"761389"	1001.226218	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+Na"	22.989218
"1609484"	349.068218	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Na"	22.989218
"320617"	338.077247	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+H+Na"	23.996494
"707242"	501.116747	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+H+Na"	23.996494
"1462360"	175.037747	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H+Na"	23.996494
"1053544"	117.02759	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2H+Na"	25.00377
"1259596"	359.112486	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+CH3OH+H"	33.033486
"379266"	691.121158	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+K"	38.963158
"743541"	1017.200158	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+K"	38.963158
"1543774"	365.042158	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+K"	38.963158
"306056"	346.064217	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+H+K"	39.970434
"699569"	509.103717	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+H+K"	39.970434
"1450110"	183.024717	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H+K"	39.970434
"239806"	694.191826	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+ACN+H"	42.033826
"1216161"	368.112826	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+ACN+H"	42.033826
"1196034"	184.560051	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+ACN+2H"	43.041102
"189998"	697.12916	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+2Na-H"	44.97116
"632112"	1023.20816	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+2Na-H"	44.97116
"1137810"	371.05016	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2Na-H"	44.97116
"182928"	349.068218	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+2Na"	45.978436
"623216"	512.107718	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+2Na"	45.978436
"1125629"	186.028718	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2Na"	45.978436
"1410612"	124.354904	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H+2Na"	46.985712
"1439081"	373.091746	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H+HCOOH"	47.012746
"225132"	354.10124	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+3H2O+2H"	56.04448
"1514289"	387.14379	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+IsoProp+H"	61.06479
"417255"	357.055188	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+Na+K"	61.952376
"780803"	520.094688	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+Na+K"	61.952376
"1675679"	194.015688	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Na+K"	61.952376
"258920"	716.173768	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+ACN+Na"	64.015768
"1234911"	390.094768	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+ACN+Na"	64.015768
"1723797"	390.118293	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+NH4+HCOOH"	64.039293
"1188057"	131.682218	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+3Na"	68.967654
"1660138"	395.073688	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Na+HCOOH"	68.994688
"171373"	729.07704	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+2K-H"	76.91904
"610934"	1055.15604	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+2K-H"	76.91904
"1098853"	402.99804	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2K-H"	76.91904
"156970"	365.042158	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"2M+2K"	77.926316
"596985"	528.081658	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"3M+2K"	77.926316
"1084000"	202.002658	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2K"	77.926316
"1109545"	405.012592	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2K+H"	78.933592
"1350914"	405.100207	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+DMSO+H"	79.021207
"1020535"	409.139376	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2ACN+H"	83.060376
"1539148"	410.133008	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+IsoProp+Na+H"	84.054008
"1005624"	205.073326	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+2ACN+2H"	84.067652
"1600457"	411.047628	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+K+HCOOH"	84.968628
"1423566"	441.079138	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+H+CF3COOH"	115.000138
"1153853"	225.586601	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+3ACN+2H"	125.094202
"1699034"	458.105685	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+NH4+CF3COOH"	132.026685
"1642342"	463.06108	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+Na+CF3COOH"	136.98208
"1580183"	479.03502	"C20445"	"Dihydrosterigmatocystin;DHST"	"C18H14O6"	"326.079"	"M+K+CF3COOH"	152.95602
"801797"	895.1262	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M"	0
"985183"	876.10781	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-H2O-H"	-19.01839
"73425"	595.743524	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M-3H"	-3.021828
"510796"	894.118924	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M-3H"	-3.021828
"887505"	297.368124	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-3H"	-3.021828
"6078"	894.118924	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M-2H"	-2.014552
"441264"	1341.682024	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M-2H"	-2.014552
"820526"	446.555824	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-2H"	-2.014552
"79785"	1789.245124	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M-H"	-1.007276
"519467"	2684.371324	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M-H"	-1.007276
"902982"	894.118924	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-H"	-1.007276
"53348"	1806.271671	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M-2H+NH4"	16.019271
"489991"	2701.397871	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M-2H+NH4"	16.019271
"868161"	911.145471	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-2H+NH4"	16.019271
"35331"	1811.227066	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M-2H+Na"	20.974666
"482185"	2706.353266	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M-2H+Na"	20.974666
"861810"	916.100866	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-2H+Na"	20.974666
"1630251"	916.100866	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Na-2H"	20.974666
"106779"	912.107263	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M-H+Cl"	33.962126
"539050"	1359.670363	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M-H+Cl"	33.962126
"932568"	464.544163	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-H+Cl"	33.962126
"268330"	1825.221802	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+Cl"	34.969402
"666832"	2720.348002	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+Cl"	34.969402
"1283613"	930.095602	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Cl"	34.969402
"23980"	1827.201006	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M-2H+K"	36.948606
"462450"	2722.327206	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M-2H+K"	36.948606
"837333"	932.074806	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-2H+K"	36.948606
"1559364"	932.074806	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+K-2H"	36.948606
"943964"	940.124394	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-H+HCOOH"	44.998194
"365097"	1835.250601	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+HCOOH-H"	44.998201
"347887"	1849.266251	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+Hac-H"	59.013851
"1495992"	954.140051	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Hac-H"	59.013851
"964629"	962.106351	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-H+NaCOOH"	66.980151
"119002"	930.095602	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+2Cl"	69.938804
"555282"	1377.658702	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+2Cl"	69.938804
"1024447"	482.532502	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2Cl"	69.938804
"1242934"	974.045085	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Br"	78.918885
"1306108"	976.101072	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Cl+HCOOH"	80.974872
"1322878"	998.083029	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Cl+NaCOOH"	102.956829
"912353"	1008.111786	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M-H+CF3COOH"	112.985586
"1288690"	1044.088464	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Cl+CF3COOH"	148.962264
"1367586"	860.113524	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H-2H2O"	-35.012676
"1383503"	878.1235	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H-H2O"	-17.0027
"290004"	1791.259676	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+H"	1.007276
"683519"	2686.385876	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+H"	1.007276
"1360963"	896.133476	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H"	1.007276
"132764"	896.133476	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+2H"	2.014552
"567216"	1343.696576	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+2H"	2.014552
"1040386"	448.570376	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2H"	2.014552
"204765"	597.758076	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+3H"	3.021828
"651858"	896.133476	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+3H"	3.021828
"1169983"	299.382676	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+3H"	3.021828
"429975"	1808.286223	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+NH4"	18.033823
"798625"	2703.412423	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+NH4"	18.033823
"1684023"	913.160023	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+NH4"	18.033823
"335580"	904.6467495	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+H+NH4"	19.041099
"730191"	1352.2098495	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+H+NH4"	19.041099
"1484010"	457.0836495	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H+NH4"	19.041099
"401596"	1813.241618	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+Na"	22.989218
"763684"	2708.367818	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+Na"	22.989218
"1612875"	918.115418	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Na"	22.989218
"314648"	907.124447	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+H+Na"	23.996494
"707678"	1354.687547	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+H+Na"	23.996494
"1462596"	459.561347	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H+Na"	23.996494
"1053655"	306.70999	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2H+Na"	25.00377
"1258977"	928.159686	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+CH3OH+H"	33.033486
"379011"	1829.215558	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+K"	38.963158
"741466"	2724.341758	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+K"	38.963158
"1544248"	934.089358	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+K"	38.963158
"309082"	915.111417	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+H+K"	39.970434
"694578"	1362.674517	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+H+K"	39.970434
"1450585"	467.548317	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H+K"	39.970434
"241010"	1832.286226	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+ACN+H"	42.033826
"1216635"	937.160026	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+ACN+H"	42.033826
"1199059"	469.083651	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+ACN+2H"	43.041102
"190108"	1835.22356	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+2Na-H"	44.97116
"632585"	2730.34976	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+2Na-H"	44.97116
"1136828"	940.09736	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2Na-H"	44.97116
"183038"	918.115418	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+2Na"	45.978436
"622965"	1365.678518	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+2Na"	45.978436
"1124287"	470.552318	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2Na"	45.978436
"1408900"	314.037304	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H+2Na"	46.985712
"1436277"	942.138946	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H+HCOOH"	47.012746
"226336"	923.14844	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+3H2O+2H"	56.04448
"1517315"	956.19099	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+IsoProp+H"	61.06479
"415181"	926.102388	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+Na+K"	61.952376
"778727"	1373.665488	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+Na+K"	61.952376
"1674697"	478.539288	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Na+K"	61.952376
"261218"	1854.268168	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+ACN+Na"	64.015768
"1232467"	959.141968	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+ACN+Na"	64.015768
"1725000"	959.165493	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+NH4+HCOOH"	64.039293
"1185981"	321.364618	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+3Na"	68.967654
"1661342"	964.120888	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Na+HCOOH"	68.994688
"167109"	1867.17144	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+2K-H"	76.91904
"609951"	2762.29764	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+2K-H"	76.91904
"1099329"	972.04524	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2K-H"	76.91904
"156509"	934.089358	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"2M+2K"	77.926316
"596313"	1381.652458	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"3M+2K"	77.926316
"1084029"	486.526258	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2K"	77.926316
"1109653"	974.059792	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2K+H"	78.933592
"1350541"	974.147407	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+DMSO+H"	79.021207
"1021321"	978.186576	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2ACN+H"	83.060376
"1539873"	979.180208	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+IsoProp+Na+H"	84.054008
"1005218"	489.596926	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+2ACN+2H"	84.067652
"1600202"	980.094828	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+K+HCOOH"	84.968628
"1423677"	1010.126338	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+H+CF3COOH"	115.000138
"1150685"	510.110201	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+3ACN+2H"	125.094202
"1699141"	1027.152885	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+NH4+CF3COOH"	132.026685
"1642454"	1032.10828	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+Na+CF3COOH"	136.98208
"1574826"	1048.08222	"C20447"	"2-Oxoglutaryl-CoA;2-Oxoglutaroyl-CoA"	"C26H40N7O20P3S"	"895.1262"	"M+K+CF3COOH"	152.95602
"816961"	142.0266	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M"	0
"987478"	123.00821	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"74628"	93.677124	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"517467"	141.019324	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"885429"	46.334924	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"8377"	141.019324	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"443564"	212.032624	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"826831"	70.006024	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"86822"	283.045924	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"524560"	425.072524	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"902000"	141.019324	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"55281"	300.072471	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"493015"	442.099071	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"869000"	158.045871	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"35805"	305.027866	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"482295"	447.054466	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"862284"	163.001266	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1632548"	163.001266	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"103973"	159.007663	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"543535"	230.020963	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"930490"	87.994363	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"274515"	319.022602	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"671317"	461.049202	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1284814"	176.996002	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"27374"	321.001806	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"463654"	463.028406	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"840362"	178.975206	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1561664"	178.975206	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"949546"	187.024794	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"368855"	329.051401	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"350549"	343.067051	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1496102"	201.040451	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"964009"	209.006751	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"116925"	176.996002	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"556487"	248.009302	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1030754"	105.982702	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1246689"	220.945485	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1310598"	223.001472	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1325543"	244.983429	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"916968"	255.012186	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1288535"	290.988864	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1369770"	107.013924	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1386050"	125.0239	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"284157"	285.060476	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"677308"	427.087076	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1354511"	143.033876	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"128495"	143.033876	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"566712"	214.047176	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1038427"	72.020576	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"206209"	95.691676	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"646502"	143.033876	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1165721"	48.349476	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"428994"	302.087023	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"788895"	444.113623	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1685227"	160.060423	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"337876"	151.5471495	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"731394"	222.5604495	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1488495"	80.5338495	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"402800"	307.042418	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"764889"	449.069018	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1611895"	165.015818	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"319747"	154.024847	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"708888"	225.038147	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1464893"	83.011547	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1055952"	55.67679	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1260181"	175.060086	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"379489"	323.016358	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"743766"	465.042958	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1549099"	180.989758	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"311015"	162.011817	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"701613"	233.025117	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1452516"	90.998517	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"243306"	326.087026	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1218202"	184.060426	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1202084"	92.533851	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"194955"	329.02436	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"633423"	471.05096	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1136570"	186.99776	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"178045"	165.015818	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"614326"	236.029118	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1123300"	94.002518	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1406824"	63.004104	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1434562"	189.039346	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"225352"	170.04884	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1516331"	203.09139	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"413104"	173.002788	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"777743"	244.016088	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1669339"	101.989488	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"259142"	348.068968	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1232942"	206.042368	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1720006"	206.065893	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1184997"	70.331418	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1659265"	211.021288	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"167218"	360.97224	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"607874"	502.99884	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1097855"	218.94564	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"156377"	180.989758	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"596872"	252.003058	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1083367"	109.976458	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1108673"	220.960192	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1348336"	221.047807	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1020516"	225.086976	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1538519"	226.080608	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"1004718"	113.047126	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1597032"	226.995228	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1422693"	257.026738	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1150795"	133.560401	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1698158"	274.053285	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1642564"	279.00868	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1580404"	294.98262	"C20448"	"5-Hydroxymethyl-2-furoate;5-Hydroxymethyl-2-furoic acid"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"801573"	140.011	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M"	0
"987587"	120.99261	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-H2O-H"	-19.01839
"73643"	92.3333906666667	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M-3H"	-3.021828
"516483"	139.003724	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M-3H"	-3.021828
"888819"	45.6630573333333	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-3H"	-3.021828
"9579"	139.003724	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M-2H"	-2.014552
"449140"	209.009224	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M-2H"	-2.014552
"824753"	68.998224	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-2H"	-2.014552
"84746"	279.014724	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M-H"	-1.007276
"523213"	419.025724	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M-H"	-1.007276
"902110"	139.003724	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-H"	-1.007276
"55391"	296.041271	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M-2H+NH4"	16.019271
"489845"	436.052271	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M-2H+NH4"	16.019271
"868746"	156.030271	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-2H+NH4"	16.019271
"35551"	300.996666	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M-2H+Na"	20.974666
"482405"	441.007666	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M-2H+Na"	20.974666
"862394"	160.985666	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-2H+Na"	20.974666
"1632901"	160.985666	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Na-2H"	20.974666
"106269"	156.992063	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M-H+Cl"	33.962126
"543645"	226.997563	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M-H+Cl"	33.962126
"933881"	86.986563	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-H+Cl"	33.962126
"274625"	314.991402	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+Cl"	34.969402
"671427"	455.002402	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+Cl"	34.969402
"1286382"	174.980402	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Cl"	34.969402
"25297"	316.970606	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M-2H+K"	36.948606
"462672"	456.981606	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M-2H+K"	36.948606
"839377"	176.959606	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-2H+K"	36.948606
"1562866"	176.959606	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+K-2H"	36.948606
"949657"	185.009194	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-H+HCOOH"	44.998194
"368965"	325.020201	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+HCOOH-H"	44.998201
"349566"	339.035851	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+Hac-H"	59.013851
"1497305"	199.024851	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Hac-H"	59.013851
"965940"	206.991151	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-H+NaCOOH"	66.980151
"116304"	174.980402	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+2Cl"	69.938804
"556961"	244.985902	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+2Cl"	69.938804
"1029771"	104.974902	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2Cl"	69.938804
"1251537"	218.929885	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Br"	78.918885
"1309249"	220.985872	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Cl+HCOOH"	80.974872
"1321033"	242.967829	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Cl+NaCOOH"	102.956829
"913066"	252.996586	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M-H+CF3COOH"	112.985586
"1290505"	288.973264	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Cl+CF3COOH"	148.962264
"1369028"	104.998324	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H-2H2O"	-35.012676
"1385794"	123.0083	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H-H2O"	-17.0027
"283782"	281.029276	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+H"	1.007276
"676932"	421.040276	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+H"	1.007276
"1352797"	141.018276	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H"	1.007276
"127144"	141.018276	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+2H"	2.014552
"565802"	211.023776	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+2H"	2.014552
"1037684"	71.012776	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2H"	2.014552
"205224"	94.3479426666667	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+3H"	3.021828
"646246"	141.018276	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+3H"	3.021828
"1165832"	47.6776093333333	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+3H"	3.021828
"428011"	298.055823	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+NH4"	18.033823
"788640"	438.066823	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+NH4"	18.033823
"1684971"	158.044823	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+NH4"	18.033823
"335800"	149.5315495	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+H+NH4"	19.041099
"727130"	219.5370495	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+H+NH4"	19.041099
"1485325"	79.5260495	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H+NH4"	19.041099
"401817"	303.011218	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+Na"	22.989218
"761718"	443.022218	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+Na"	22.989218
"1607631"	163.000218	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Na"	22.989218
"316577"	152.009247	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+H+Na"	23.996494
"707900"	222.014747	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+H+Na"	23.996494
"1465003"	82.003747	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H+Na"	23.996494
"1054238"	55.0049233333333	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2H+Na"	25.00377
"1258469"	173.044486	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+CH3OH+H"	33.033486
"379235"	318.985158	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+K"	38.963158
"740959"	458.996158	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+K"	38.963158
"1547022"	178.974158	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+K"	38.963158
"310760"	159.996217	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+H+K"	39.970434
"697713"	230.001717	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+H+K"	39.970434
"1450439"	89.990717	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H+K"	39.970434
"242323"	322.055826	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+ACN+H"	42.033826
"1215395"	182.044826	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+ACN+H"	42.033826
"1197820"	91.526051	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+ACN+2H"	43.041102
"192879"	324.99316	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+2Na-H"	44.97116
"629889"	465.00416	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+2Na-H"	44.97116
"1136680"	184.98216	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2Na-H"	44.97116
"179248"	163.000218	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+2Na"	45.978436
"616623"	233.005718	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+2Na"	45.978436
"1122316"	92.994718	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2Na"	45.978436
"1409121"	62.3322373333333	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H+2Na"	46.985712
"1432487"	187.023746	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H+HCOOH"	47.012746
"228741"	168.03324	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+3H2O+2H"	56.04448
"1514618"	201.07579	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+IsoProp+H"	61.06479
"415400"	170.987188	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+Na+K"	61.952376
"780404"	240.992688	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+Na+K"	61.952376
"1673821"	100.981688	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Na+K"	61.952376
"258156"	344.037768	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+ACN+Na"	64.015768
"1231229"	204.026768	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+ACN+Na"	64.015768
"1718659"	204.050293	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+NH4+HCOOH"	64.039293
"1185108"	69.6595513333333	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+3Na"	68.967654
"1660468"	209.005688	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Na+HCOOH"	68.994688
"166236"	356.94104	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+2K-H"	76.91904
"605797"	496.95204	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+2K-H"	76.91904
"1094685"	216.93004	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2K-H"	76.91904
"155753"	178.974158	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"2M+2K"	77.926316
"594341"	248.979658	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"3M+2K"	77.926316
"1083965"	108.968658	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2K"	77.926316
"1110969"	218.944592	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2K+H"	78.933592
"1349174"	219.032207	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+DMSO+H"	79.021207
"1017704"	223.071376	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2ACN+H"	83.060376
"1536195"	224.065008	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+IsoProp+Na+H"	84.054008
"1000453"	112.039326	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+2ACN+2H"	84.067652
"1593862"	224.979628	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+K+HCOOH"	84.968628
"1421710"	255.011138	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+H+CF3COOH"	115.000138
"1147381"	132.552601	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+3ACN+2H"	125.094202
"1697297"	272.037685	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+NH4+CF3COOH"	132.026685
"1636478"	276.99308	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+Na+CF3COOH"	136.98208
"1580514"	292.96702	"C20449"	"5-Formyl-2-furoate;5-Formyl-2-furancarboxylate;5-Formylfuran-2-carboxylate"	"C6H4O4"	"140.011"	"M+K+CF3COOH"	152.95602
"802495"	156.0059	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M"	0
"986604"	136.98751	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-H2O-H"	-19.01839
"70473"	102.996657333333	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M-3H"	-3.021828
"514407"	154.998624	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M-3H"	-3.021828
"888929"	50.9946906666667	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-3H"	-3.021828
"9689"	154.998624	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M-2H"	-2.014552
"448157"	233.001574	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M-2H"	-2.014552
"824863"	76.995674	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-2H"	-2.014552
"87043"	311.004524	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M-H"	-1.007276
"521137"	467.010424	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M-H"	-1.007276
"902220"	154.998624	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-H"	-1.007276
"56594"	328.031071	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M-2H+NH4"	16.019271
"488861"	484.036971	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M-2H+NH4"	16.019271
"868492"	172.025171	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-2H+NH4"	16.019271
"34932"	332.986466	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M-2H+Na"	20.974666
"484217"	488.992366	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M-2H+Na"	20.974666
"862019"	176.980566	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-2H+Na"	20.974666
"1633496"	176.980566	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Na-2H"	20.974666
"107473"	172.986963	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M-H+Cl"	33.962126
"541568"	250.989913	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M-H+Cl"	33.962126
"933991"	94.984013	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-H+Cl"	33.962126
"274735"	346.981202	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+Cl"	34.969402
"672266"	502.987102	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+Cl"	34.969402
"1285399"	190.975302	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Cl"	34.969402
"25407"	348.960406	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M-2H+K"	36.948606
"461688"	504.966306	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M-2H+K"	36.948606
"837301"	192.954506	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-2H+K"	36.948606
"1564069"	192.954506	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+K-2H"	36.948606
"953046"	201.004094	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-H+HCOOH"	44.998194
"371262"	357.010001	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+HCOOH-H"	44.998201
"350040"	371.025651	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+Hac-H"	59.013851
"1498508"	215.019751	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Hac-H"	59.013851
"967144"	222.986051	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-H+NaCOOH"	66.980151
"118237"	190.975302	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+2Cl"	69.938804
"558165"	268.978252	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+2Cl"	69.938804
"1032068"	112.972352	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2Cl"	69.938804
"1251647"	234.924785	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Br"	78.918885
"1310817"	236.980772	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Cl+HCOOH"	80.974872
"1323939"	258.962729	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Cl+NaCOOH"	102.956829
"915729"	268.991486	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M-H+CF3COOH"	112.985586
"1292074"	304.968164	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Cl+CF3COOH"	148.962264
"1369139"	120.993224	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H-2H2O"	-35.012676
"1385538"	139.0032	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H-H2O"	-17.0027
"283041"	313.019076	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+H"	1.007276
"676556"	469.024976	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+H"	1.007276
"1352907"	157.013176	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H"	1.007276
"126890"	157.013176	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+2H"	2.014552
"565837"	235.016126	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+2H"	2.014552
"1037797"	79.010226	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2H"	2.014552
"207159"	105.011209333333	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+3H"	3.021828
"644576"	157.013176	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+3H"	3.021828
"1164119"	53.0092426666667	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+3H"	3.021828
"428121"	330.045623	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+NH4"	18.033823
"791303"	486.051523	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+NH4"	18.033823
"1687635"	174.039723	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+NH4"	18.033823
"335910"	165.5264495	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+H+NH4"	19.041099
"729427"	243.5293995	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+H+NH4"	19.041099
"1485435"	87.5234995	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H+NH4"	19.041099
"401927"	335.001018	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+Na"	22.989218
"759642"	491.006918	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+Na"	22.989218
"1604461"	178.995118	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Na"	22.989218
"316687"	168.004147	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+H+Na"	23.996494
"708380"	246.007097	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+H+Na"	23.996494
"1462560"	90.001197	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H+Na"	23.996494
"1055080"	60.3365566666667	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2H+Na"	25.00377
"1258215"	189.039386	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+CH3OH+H"	33.033486
"380805"	350.974958	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+K"	38.963158
"745081"	506.980858	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+K"	38.963158
"1547132"	194.969058	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+K"	38.963158
"309776"	175.991117	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+H+K"	39.970434
"700010"	253.994067	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+H+K"	39.970434
"1453830"	97.988167	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H+K"	39.970434
"241338"	354.045626	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+ACN+H"	42.033826
"1214047"	198.039726	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+ACN+H"	42.033826
"1197201"	99.523501	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+ACN+2H"	43.041102
"189707"	356.98296	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+2Na-H"	44.97116
"631094"	512.98886	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+2Na-H"	44.97116
"1135693"	200.97706	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2Na-H"	44.97116
"177167"	178.995118	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+2Na"	45.978436
"615637"	256.998068	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+2Na"	45.978436
"1124248"	100.992168	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2Na"	45.978436
"1409960"	67.6638706666667	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H+2Na"	46.985712
"1439160"	203.018646	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H+HCOOH"	47.012746
"227759"	184.02814	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+3H2O+2H"	56.04448
"1513999"	217.07069	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+IsoProp+H"	61.06479
"418426"	186.982088	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+Na+K"	61.952376
"779785"	264.985038	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+Na+K"	61.952376
"1672837"	108.979138	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Na+K"	61.952376
"258263"	376.027568	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+ACN+Na"	64.015768
"1233526"	220.021668	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+ACN+Na"	64.015768
"1722049"	220.045193	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+NH4+HCOOH"	64.039293
"1185220"	74.9911846666667	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+3Na"	68.967654
"1658391"	225.000588	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Na+HCOOH"	68.994688
"168531"	388.93084	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+2K-H"	76.91904
"604814"	544.93674	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+2K-H"	76.91904
"1096980"	232.92494	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2K-H"	76.91904
"152704"	194.969058	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"2M+2K"	77.926316
"591169"	272.972008	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"3M+2K"	77.926316
"1083746"	116.966108	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2K"	77.926316
"1113265"	234.939492	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2K+H"	78.933592
"1348556"	235.027107	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+DMSO+H"	79.021207
"1015991"	239.066276	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2ACN+H"	83.060376
"1537397"	240.059908	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+IsoProp+Na+H"	84.054008
"999470"	120.036776	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+2ACN+2H"	84.067652
"1592879"	240.974528	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+K+HCOOH"	84.968628
"1422914"	271.006038	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+H+CF3COOH"	115.000138
"1147371"	140.550051	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+3ACN+2H"	125.094202
"1697770"	288.032585	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+NH4+CF3COOH"	132.026685
"1635494"	292.98798	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+Na+CF3COOH"	136.98208
"1580624"	308.96192	"C20450"	"25-Furandicarboxylate;Furan-25-dicarboxylate"	"C6H4O5"	"156.0059"	"M+K+CF3COOH"	152.95602
"813180"	370.1053	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M"	0
"988174"	351.08691	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-H2O-H"	-19.01839
"77750"	245.729590666667	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M-3H"	-3.021828
"517676"	369.098024	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M-3H"	-3.021828
"893413"	122.361157333333	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-3H"	-3.021828
"13080"	369.098024	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M-2H"	-2.014552
"452638"	554.150674	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M-2H"	-2.014552
"828252"	184.045374	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-2H"	-2.014552
"81685"	739.203324	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M-H"	-1.007276
"525619"	1109.308624	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M-H"	-1.007276
"898315"	369.098024	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-H"	-1.007276
"50505"	756.229871	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M-2H+NH4"	16.019271
"489333"	1126.335171	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M-2H+NH4"	16.019271
"865312"	386.124571	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-2H+NH4"	16.019271
"33211"	761.185266	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M-2H+Na"	20.974666
"474235"	1131.290566	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M-2H+Na"	20.974666
"850212"	391.079966	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-2H+Na"	20.974666
"1618810"	391.079966	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Na-2H"	20.974666
"98834"	387.086363	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M-H+Cl"	33.962126
"546055"	572.139013	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M-H+Cl"	33.962126
"934101"	202.033713	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-H+Cl"	33.962126
"281416"	775.180002	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+Cl"	34.969402
"672379"	1145.285302	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+Cl"	34.969402
"1283690"	405.074702	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Cl"	34.969402
"24423"	777.159206	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M-2H+K"	36.948606
"465078"	1147.264506	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M-2H+K"	36.948606
"843972"	407.053906	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-2H+K"	36.948606
"1566366"	407.053906	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+K-2H"	36.948606
"950970"	415.103494	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-H+HCOOH"	44.998194
"372464"	785.208801	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+HCOOH-H"	44.998201
"358533"	799.224451	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+Hac-H"	59.013851
"1505178"	429.119151	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Hac-H"	59.013851
"968347"	437.085451	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-H+NaCOOH"	66.980151
"117255"	405.074702	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+2Cl"	69.938804
"559004"	590.127352	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+2Cl"	69.938804
"1032179"	220.022052	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2Cl"	69.938804
"1251757"	449.024185	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Br"	78.918885
"1316396"	451.080172	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Cl+HCOOH"	80.974872
"1329518"	473.062129	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Cl+NaCOOH"	102.956829
"915838"	483.090886	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M-H+CF3COOH"	112.985586
"1290359"	519.067564	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Cl+CF3COOH"	148.962264
"1373257"	335.092624	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H-2H2O"	-35.012676
"1385646"	353.1026	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H-H2O"	-17.0027
"284976"	741.217876	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+H"	1.007276
"676299"	1111.323176	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+H"	1.007276
"1358851"	371.112576	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H"	1.007276
"126268"	371.112576	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+2H"	2.014552
"567656"	556.165226	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+2H"	2.014552
"1046297"	186.059926	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2H"	2.014552
"212740"	247.744142666667	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+3H"	3.021828
"655580"	371.112576	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+3H"	3.021828
"1172614"	124.375709333333	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+3H"	3.021828
"434429"	758.244423	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+NH4"	18.033823
"793601"	1128.349723	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+NH4"	18.033823
"1692119"	388.139123	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+NH4"	18.033823
"339303"	379.6258495	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+H+NH4"	19.041099
"730631"	564.6784995	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+H+NH4"	19.041099
"1482261"	194.5731995	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H+NH4"	19.041099
"399848"	763.199818	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+Na"	22.989218
"760843"	1133.305118	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+Na"	22.989218
"1602777"	393.094518	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Na"	22.989218
"314393"	382.103547	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+H+Na"	23.996494
"707254"	567.156197	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+H+Na"	23.996494
"1461486"	197.050897	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H+Na"	23.996494
"1052812"	131.703023333333	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2H+Na"	25.00377
"1257180"	403.138786	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+CH3OH+H"	33.033486
"378968"	779.173758	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+K"	38.963158
"741906"	1149.279058	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+K"	38.963158
"1543962"	409.068458	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+K"	38.963158
"302231"	390.090517	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+H+K"	39.970434
"699027"	575.143167	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+H+K"	39.970434
"1451754"	205.037867	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H+K"	39.970434
"242543"	782.244426	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+ACN+H"	42.033826
"1212337"	412.139126	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+ACN+H"	42.033826
"1198043"	206.573201	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+ACN+2H"	43.041102
"192006"	785.18176	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+2Na-H"	44.97116
"632663"	1155.28706	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+2Na-H"	44.97116
"1141642"	415.07646	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2Na-H"	44.97116
"182746"	393.094518	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+2Na"	45.978436
"620121"	578.147168	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+2Na"	45.978436
"1118161"	208.041868	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2Na"	45.978436
"1404964"	139.030337333333	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H+2Na"	46.985712
"1435986"	417.118046	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H+HCOOH"	47.012746
"226776"	398.12754	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+3H2O+2H"	56.04448
"1515932"	431.17009	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+IsoProp+H"	61.06479
"416712"	401.081488	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+Na+K"	61.952376
"778802"	586.134138	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+Na+K"	61.952376
"1672947"	216.028838	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Na+K"	61.952376
"258378"	804.226368	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+ACN+Na"	64.015768
"1232180"	434.121068	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+ACN+Na"	64.015768
"1717787"	434.144593	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+NH4+HCOOH"	64.039293
"1189337"	146.357651333333	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+3Na"	68.967654
"1659594"	439.099988	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Na+HCOOH"	68.994688
"165364"	817.12964	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+2K-H"	76.91904
"604923"	1187.23494	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+2K-H"	76.91904
"1096970"	447.02434	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2K-H"	76.91904
"154879"	409.068458	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"2M+2K"	77.926316
"593467"	594.121108	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"3M+2K"	77.926316
"1081261"	224.015808	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2K"	77.926316
"1113375"	449.038892	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2K+H"	78.933592
"1344289"	449.126507	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+DMSO+H"	79.021207
"1018286"	453.165676	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2ACN+H"	83.060376
"1537505"	454.159308	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+IsoProp+Na+H"	84.054008
"999578"	227.086476	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+2ACN+2H"	84.067652
"1590804"	455.073928	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+K+HCOOH"	84.968628
"1417558"	485.105438	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+H+CF3COOH"	115.000138
"1148940"	247.599751	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+3ACN+2H"	125.094202
"1708339"	502.131985	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+NH4+CF3COOH"	132.026685
"1640709"	507.08738	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+Na+CF3COOH"	136.98208
"1580734"	523.06132	"C20452"	"Norsolorinic acid;Norsolorinate;2-Hexanoyl-1368-tetrahydroxy-910-anthraquinone"	"C20H18O7"	"370.1053"	"M+K+CF3COOH"	152.95602
"814383"	356.126	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M"	0
"989484"	337.10761	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-H2O-H"	-19.01839
"78224"	236.410057333333	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M-3H"	-3.021828
"517907"	355.118724	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M-3H"	-3.021828
"893521"	117.701390666667	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-3H"	-3.021828
"14285"	355.118724	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M-2H"	-2.014552
"454576"	533.181724	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M-2H"	-2.014552
"826176"	177.055724	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-2H"	-2.014552
"88357"	711.244724	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M-H"	-1.007276
"525729"	1067.370724	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M-H"	-1.007276
"902438"	355.118724	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-H"	-1.007276
"50615"	728.271271	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M-2H+NH4"	16.019271
"489079"	1084.397271	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M-2H+NH4"	16.019271
"866151"	372.145271	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-2H+NH4"	16.019271
"33442"	733.226666	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M-2H+Na"	20.974666
"472642"	1089.352666	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M-2H+Na"	20.974666
"850323"	377.100666	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-2H+Na"	20.974666
"1620591"	377.100666	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Na-2H"	20.974666
"98944"	373.107063	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M-H+Cl"	33.962126
"547258"	551.170063	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M-H+Cl"	33.962126
"934211"	195.044063	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-H+Cl"	33.962126
"278975"	747.221402	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+Cl"	34.969402
"670668"	1103.347402	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+Cl"	34.969402
"1282343"	391.095402	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Cl"	34.969402
"25627"	749.200606	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M-2H+K"	36.948606
"467376"	1105.326606	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M-2H+K"	36.948606
"844083"	393.074606	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-2H+K"	36.948606
"1567935"	393.074606	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+K-2H"	36.948606
"953267"	401.124194	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-H+HCOOH"	44.998194
"372574"	757.250201	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+HCOOH-H"	44.998201
"356457"	771.265851	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+Hac-H"	59.013851
"1502008"	415.139851	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Hac-H"	59.013851
"967364"	423.106151	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-H+NaCOOH"	66.980151
"119552"	391.095402	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+2Cl"	69.938804
"558021"	569.158402	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+2Cl"	69.938804
"1033019"	213.032402	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2Cl"	69.938804
"1251867"	435.044885	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Br"	78.918885
"1314319"	437.100872	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Cl+HCOOH"	80.974872
"1328534"	459.082829	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Cl+NaCOOH"	102.956829
"916677"	469.111586	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M-H+CF3COOH"	112.985586
"1290469"	505.088264	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Cl+CF3COOH"	148.962264
"1373365"	321.113324	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H-2H2O"	-35.012676
"1384299"	339.1233	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H-H2O"	-17.0027
"283627"	713.259276	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+H"	1.007276
"676409"	1069.385276	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+H"	1.007276
"1357138"	357.133276	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H"	1.007276
"127350"	357.133276	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+2H"	2.014552
"570682"	535.196276	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+2H"	2.014552
"1047135"	179.070276	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2H"	2.014552
"210664"	238.424609333333	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+3H"	3.021828
"655327"	357.133276	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+3H"	3.021828
"1173455"	119.715942666667	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+3H"	3.021828
"432719"	730.285823	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+NH4"	18.033823
"794804"	1086.411823	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+NH4"	18.033823
"1692228"	374.159823	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+NH4"	18.033823
"340871"	365.6465495	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+H+NH4"	19.041099
"733293"	543.7095495	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+H+NH4"	19.041099
"1483465"	187.5835495	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H+NH4"	19.041099
"405424"	735.241218	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+Na"	22.989218
"760953"	1091.367218	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+Na"	22.989218
"1603710"	379.115218	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Na"	22.989218
"314946"	368.124247	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+H+Na"	23.996494
"707617"	546.187247	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+H+Na"	23.996494
"1461928"	190.061247	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H+Na"	23.996494
"1054935"	127.043256666667	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2H+Na"	25.00377
"1257623"	389.159486	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+CH3OH+H"	33.033486
"378838"	751.215158	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+K"	38.963158
"740924"	1107.341158	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+K"	38.963158
"1541886"	395.089158	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+K"	38.963158
"303433"	376.111217	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+H+K"	39.970434
"695128"	554.174217	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+H+K"	39.970434
"1447854"	198.048217	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H+K"	39.970434
"239370"	754.285826	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+ACN+H"	42.033826
"1210015"	398.159826	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+ACN+H"	42.033826
"1196695"	199.583551	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+ACN+2H"	43.041102
"191752"	757.22316	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+2Na-H"	44.97116
"631678"	1113.34916	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+2Na-H"	44.97116
"1136280"	401.09716	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2Na-H"	44.97116
"177387"	379.115218	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+2Na"	45.978436
"622417"	557.178218	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+2Na"	45.978436
"1120457"	201.052218	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2Na"	45.978436
"1405074"	134.370570666667	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H+2Na"	46.985712
"1433912"	403.138746	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H+HCOOH"	47.012746
"226887"	384.14824	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+3H2O+2H"	56.04448
"1518228"	417.19079	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+IsoProp+H"	61.06479
"417913"	387.102188	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+Na+K"	61.952376
"777817"	565.165188	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+Na+K"	61.952376
"1674149"	209.039188	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Na+K"	61.952376
"258487"	776.267768	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+ACN+Na"	64.015768
"1232289"	420.141768	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+ACN+Na"	64.015768
"1720081"	420.165293	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+NH4+HCOOH"	64.039293
"1189809"	141.697884666667	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+3Na"	68.967654
"1659703"	425.120688	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Na+HCOOH"	68.994688
"164377"	789.17104	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+2K-H"	76.91904
"605031"	1145.29704	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+2K-H"	76.91904
"1095011"	433.04504	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2K-H"	76.91904
"154014"	395.089158	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"2M+2K"	77.926316
"591387"	573.152158	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"3M+2K"	77.926316
"1081369"	217.026158	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2K"	77.926316
"1114334"	435.059592	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2K+H"	78.933592
"1346586"	435.147207	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+DMSO+H"	79.021207
"1014022"	439.186376	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2ACN+H"	83.060376
"1533241"	440.180008	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+IsoProp+Na+H"	84.054008
"996408"	220.096826	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+2ACN+2H"	84.067652
"1588727"	441.094628	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+K+HCOOH"	84.968628
"1417668"	471.126138	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+H+CF3COOH"	115.000138
"1147470"	240.610101	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+3ACN+2H"	125.094202
"1707356"	488.152685	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+NH4+CF3COOH"	132.026685
"1643006"	493.10808	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+Na+CF3COOH"	136.98208
"1575376"	509.08202	"C20453"	"Norsolorinic acid anthrone;Noranthrone;2-Hexanoyl-1368-tetrahydroxyanthracen-9(10H)-one"	"C20H20O6"	"356.126"	"M+K+CF3COOH"	152.95602
"815587"	360.1573	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M"	0
"989284"	341.13891	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H2O-H"	-19.01839
"75904"	239.097590666667	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-3H"	-3.021828
"518387"	359.150024	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-3H"	-3.021828
"894482"	119.045157333333	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-3H"	-3.021828
"14028"	359.150024	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H"	-2.014552
"452858"	539.228674	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H"	-2.014552
"830660"	179.071374	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H"	-2.014552
"92476"	719.307324	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-H"	-1.007276
"530213"	1079.464624	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-H"	-1.007276
"902547"	359.150024	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H"	-1.007276
"52548"	736.333871	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H+NH4"	16.019271
"489917"	1096.491171	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H+NH4"	16.019271
"866261"	376.176571	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H+NH4"	16.019271
"33309"	741.289266	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H+Na"	20.974666
"475183"	1101.446566	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H+Na"	20.974666
"851161"	381.131966	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H+Na"	20.974666
"1620337"	381.131966	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na-2H"	20.974666
"102334"	377.138363	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-H+Cl"	33.962126
"547368"	557.217013	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-H+Cl"	33.962126
"931041"	197.059713	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+Cl"	33.962126
"275807"	755.284002	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Cl"	34.969402
"668956"	1115.441302	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+Cl"	34.969402
"1282453"	395.126702	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl"	34.969402
"24646"	757.263206	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M-2H+K"	36.948606
"464934"	1117.420506	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M-2H+K"	36.948606
"843099"	397.105906	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-2H+K"	36.948606
"1566952"	397.105906	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K-2H"	36.948606
"954470"	405.155494	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+HCOOH"	44.998194
"372684"	765.312801	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+HCOOH-H"	44.998201
"354379"	779.328451	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Hac-H"	59.013851
"1503211"	419.171151	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Hac-H"	59.013851
"966380"	427.137451	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+NaCOOH"	66.980151
"115289"	395.126702	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2Cl"	69.938804
"558131"	575.205352	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2Cl"	69.938804
"1032399"	215.048052	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2Cl"	69.938804
"1251977"	439.076185	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Br"	78.918885
"1315521"	441.132172	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl+HCOOH"	80.974872
"1330829"	463.114129	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl+NaCOOH"	102.956829
"917880"	473.142886	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M-H+CF3COOH"	112.985586
"1291673"	509.119564	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Cl+CF3COOH"	148.962264
"1372382"	325.144624	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H-2H2O"	-35.012676
"1385506"	343.1546	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H-H2O"	-17.0027
"285560"	721.321876	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H"	1.007276
"677246"	1081.479176	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H"	1.007276
"1356155"	361.164576	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H"	1.007276
"130136"	361.164576	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2H"	2.014552
"569699"	541.243226	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2H"	2.014552
"1045060"	181.085926	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2H"	2.014552
"214054"	241.112142666667	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+3H"	3.021828
"653615"	361.164576	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+3H"	3.021828
"1176481"	121.059709333333	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+3H"	3.021828
"436110"	738.348423	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+NH4"	18.033823
"792731"	1098.505723	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+NH4"	18.033823
"1691248"	378.191123	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+NH4"	18.033823
"341712"	369.6778495	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H+NH4"	19.041099
"735225"	549.7564995	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H+NH4"	19.041099
"1486857"	189.5991995	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+NH4"	19.041099
"402257"	743.303818	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Na"	22.989218
"763251"	1103.461118	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+Na"	22.989218
"1603819"	383.146518	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na"	22.989218
"315188"	372.155547	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H+Na"	23.996494
"707729"	552.234197	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H+Na"	23.996494
"1462892"	192.076897	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+Na"	23.996494
"1057599"	128.387023333333	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2H+Na"	25.00377
"1257811"	393.190786	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+CH3OH+H"	33.033486
"379312"	759.277758	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+K"	38.963158
"744316"	1119.435058	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+K"	38.963158
"1544183"	399.120458	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K"	38.963158
"303544"	380.142517	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+H+K"	39.970434
"694874"	560.221167	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+H+K"	39.970434
"1451974"	200.063867	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+K"	39.970434
"240576"	762.348426	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+ACN+H"	42.033826
"1211825"	402.191126	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+ACN+H"	42.033826
"1196801"	201.599201	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+ACN+2H"	43.041102
"190037"	765.28576	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2Na-H"	44.97116
"630079"	1125.44306	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2Na-H"	44.97116
"1133829"	405.12846	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2Na-H"	44.97116
"174090"	383.146518	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2Na"	45.978436
"614871"	563.225168	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2Na"	45.978436
"1123846"	203.067868	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2Na"	45.978436
"1409559"	135.714337333333	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+2Na"	46.985712
"1438395"	407.170046	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+HCOOH"	47.012746
"232101"	388.17954	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+3H2O+2H"	56.04448
"1518339"	421.22209	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+IsoProp+H"	61.06479
"418024"	391.133488	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+Na+K"	61.952376
"777927"	571.212138	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+Na+K"	61.952376
"1674256"	211.054838	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na+K"	61.952376
"258597"	784.330368	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+ACN+Na"	64.015768
"1236772"	424.173068	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+ACN+Na"	64.015768
"1722377"	424.196593	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+NH4+HCOOH"	64.039293
"1189919"	143.041651333333	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+3Na"	68.967654
"1656531"	429.151988	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na+HCOOH"	68.994688
"165580"	797.23364	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2K-H"	76.91904
"606233"	1157.39094	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2K-H"	76.91904
"1095120"	437.07634	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2K-H"	76.91904
"155095"	399.120458	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"2M+2K"	77.926316
"595870"	579.199108	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"3M+2K"	77.926316
"1082570"	219.041808	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2K"	77.926316
"1115055"	439.090892	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2K+H"	78.933592
"1342322"	439.178507	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+DMSO+H"	79.021207
"1014132"	443.217676	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2ACN+H"	83.060376
"1532258"	444.211308	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+IsoProp+Na+H"	84.054008
"996517"	222.112476	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+2ACN+2H"	84.067652
"1592117"	445.125928	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K+HCOOH"	84.968628
"1419965"	475.157438	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+H+CF3COOH"	115.000138
"1153534"	242.625751	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+3ACN+2H"	125.094202
"1707466"	492.183985	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+NH4+CF3COOH"	132.026685
"1640929"	497.13938	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+Na+CF3COOH"	136.98208
"1575486"	513.11332	"C20454"	"(-)-Lariciresinol"	"C20H24O6"	"360.1573"	"M+K+CF3COOH"	152.95602
"816386"	358.1416	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M"	0
"988865"	339.12321	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H2O-H"	-19.01839
"76014"	237.753790666667	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-3H"	-3.021828
"517034"	357.134324	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-3H"	-3.021828
"893377"	118.373257333333	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-3H"	-3.021828
"14867"	357.134324	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H"	-2.014552
"454061"	536.205124	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H"	-2.014552
"830770"	178.063524	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H"	-2.014552
"90762"	715.275924	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-H"	-1.007276
"531416"	1073.417524	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-H"	-1.007276
"902657"	357.134324	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H"	-1.007276
"52659"	732.302471	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H+NH4"	16.019271
"490027"	1090.444071	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H+NH4"	16.019271
"866248"	374.160871	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H+NH4"	16.019271
"33057"	737.257866	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H+Na"	20.974666
"475293"	1095.399466	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H+Na"	20.974666
"853099"	379.116266	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H+Na"	20.974666
"1625915"	379.116266	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na-2H"	20.974666
"101351"	375.122663	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-H+Cl"	33.962126
"549545"	554.193463	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-H+Cl"	33.962126
"937712"	196.051863	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+Cl"	33.962126
"278104"	751.252602	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Cl"	34.969402
"668701"	1109.394202	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+Cl"	34.969402
"1284746"	393.111002	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl"	34.969402
"25121"	753.231806	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M-2H+K"	36.948606
"466501"	1111.373406	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M-2H+K"	36.948606
"843210"	395.090206	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-2H+K"	36.948606
"1568886"	395.090206	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K-2H"	36.948606
"956406"	403.139794	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+HCOOH"	44.998194
"374618"	761.281401	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+HCOOH-H"	44.998201
"356677"	775.297051	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Hac-H"	59.013851
"1503321"	417.155451	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Hac-H"	59.013851
"965397"	425.121751	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+NaCOOH"	66.980151
"115399"	393.111002	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2Cl"	69.938804
"558241"	572.181802	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2Cl"	69.938804
"1033967"	214.040202	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2Cl"	69.938804
"1252087"	437.060485	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Br"	78.918885
"1315631"	439.116472	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl+HCOOH"	80.974872
"1332036"	461.098429	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl+NaCOOH"	102.956829
"919814"	471.127186	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M-H+CF3COOH"	112.985586
"1299803"	507.103864	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Cl+CF3COOH"	148.962264
"1371399"	323.128924	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H-2H2O"	-35.012676
"1386709"	341.1389	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H-H2O"	-17.0027
"286400"	717.290476	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H"	1.007276
"680277"	1075.432076	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H"	1.007276
"1357358"	359.148876	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H"	1.007276
"132434"	359.148876	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2H"	2.014552
"570902"	538.219676	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2H"	2.014552
"1046263"	180.078076	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2H"	2.014552
"211975"	239.768342666667	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+3H"	3.021828
"654818"	359.148876	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+3H"	3.021828
"1171850"	120.387809333333	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+3H"	3.021828
"435127"	734.317023	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+NH4"	18.033823
"795028"	1092.458623	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+NH4"	18.033823
"1692451"	376.175423	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+NH4"	18.033823
"341822"	367.6621495	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H+NH4"	19.041099
"735336"	546.7329495	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H+NH4"	19.041099
"1488061"	188.5913495	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+NH4"	19.041099
"406740"	739.272418	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Na"	22.989218
"765549"	1097.414018	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+Na"	22.989218
"1603563"	381.130818	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na"	22.989218
"316033"	370.139847	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H+Na"	23.996494
"708821"	549.210647	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H+Na"	23.996494
"1463370"	191.069047	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+Na"	23.996494
"1057709"	127.715123333333	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2H+Na"	25.00377
"1258657"	391.175086	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+CH3OH+H"	33.033486
"381609"	755.246358	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+K"	38.963158
"746614"	1113.387958	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+K"	38.963158
"1543564"	397.104758	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K"	38.963158
"303654"	378.126817	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+H+K"	39.970434
"698265"	557.197617	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+H+K"	39.970434
"1456460"	199.056017	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+K"	39.970434
"239592"	758.317026	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+ACN+H"	42.033826
"1213392"	400.175426	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+ACN+H"	42.033826
"1196181"	200.591351	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+ACN+2H"	43.041102
"190631"	761.25436	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2Na-H"	44.97116
"631529"	1119.39596	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2Na-H"	44.97116
"1133939"	403.11276	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2Na-H"	44.97116
"177959"	381.130818	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2Na"	45.978436
"618261"	560.201618	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2Na"	45.978436
"1126143"	202.060018	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2Na"	45.978436
"1409668"	135.042437333333	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+2Na"	46.985712
"1436317"	405.154346	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+HCOOH"	47.012746
"233667"	386.16384	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+3H2O+2H"	56.04448
"1519542"	419.20639	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+IsoProp+H"	61.06479
"418134"	389.117788	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+Na+K"	61.952376
"778037"	568.188588	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+Na+K"	61.952376
"1671087"	210.046988	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na+K"	61.952376
"259801"	780.298968	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+ACN+Na"	64.015768
"1234696"	422.157368	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+ACN+Na"	64.015768
"1719208"	422.180893	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+NH4+HCOOH"	64.039293
"1184561"	142.369751333333	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+3Na"	68.967654
"1656641"	427.136288	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na+HCOOH"	68.994688
"166783"	793.20224	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2K-H"	76.91904
"603062"	1151.34384	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2K-H"	76.91904
"1096323"	435.06064	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2K-H"	76.91904
"153139"	397.104758	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"2M+2K"	77.926316
"592700"	576.175558	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"3M+2K"	77.926316
"1081587"	218.033958	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2K"	77.926316
"1114799"	437.075192	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2K+H"	78.933592
"1343525"	437.162807	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+DMSO+H"	79.021207
"1016429"	441.201976	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2ACN+H"	83.060376
"1532367"	442.195608	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+IsoProp+Na+H"	84.054008
"997721"	221.104626	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+2ACN+2H"	84.067652
"1591132"	443.110228	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K+HCOOH"	84.968628
"1415335"	473.141738	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+H+CF3COOH"	115.000138
"1148905"	241.617901	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+3ACN+2H"	125.094202
"1708669"	490.168285	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+NH4+CF3COOH"	132.026685
"1639946"	495.12368	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+Na+CF3COOH"	136.98208
"1573409"	511.09762	"C20455"	"(-)-Pinoresinol"	"C20H22O6"	"358.1416"	"M+K+CF3COOH"	152.95602
"813622"	362.1729	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M"	0
"987153"	343.15451	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H2O-H"	-19.01839
"77583"	240.441324	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-3H"	-3.021828
"516779"	361.165624	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-3H"	-3.021828
"892759"	119.717024	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-3H"	-3.021828
"14249"	361.165624	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H"	-2.014552
"454537"	542.252074	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H"	-2.014552
"830880"	180.079174	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H"	-2.014552
"91966"	723.338524	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-H"	-1.007276
"529340"	1085.511424	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-H"	-1.007276
"899487"	361.165624	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H"	-1.007276
"52769"	740.365071	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H+NH4"	16.019271
"489044"	1102.537971	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H+NH4"	16.019271
"865388"	378.192171	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H+NH4"	16.019271
"32318"	745.320466	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H+Na"	20.974666
"474311"	1107.493366	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H+Na"	20.974666
"853209"	383.147566	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H+Na"	20.974666
"1626025"	383.147566	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na-2H"	20.974666
"102554"	379.153963	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-H+Cl"	33.962126
"548684"	560.240413	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-H+Cl"	33.962126
"935636"	198.067513	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+Cl"	33.962126
"276389"	759.315202	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Cl"	34.969402
"668810"	1121.488102	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+Cl"	34.969402
"1283398"	397.142302	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl"	34.969402
"22678"	761.294406	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M-2H+K"	36.948606
"465517"	1123.467306	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M-2H+K"	36.948606
"841132"	399.121506	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-2H+K"	36.948606
"1566808"	399.121506	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K-2H"	36.948606
"954327"	407.171094	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+HCOOH"	44.998194
"371812"	769.344001	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+HCOOH-H"	44.998201
"356787"	783.359651	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Hac-H"	59.013851
"1504525"	421.186751	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Hac-H"	59.013851
"962955"	429.153051	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+NaCOOH"	66.980151
"114050"	397.142302	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2Cl"	69.938804
"558351"	578.228752	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2Cl"	69.938804
"1033713"	216.055852	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2Cl"	69.938804
"1250010"	441.091785	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Br"	78.918885
"1316470"	443.147772	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl+HCOOH"	80.974872
"1332145"	465.129729	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl+NaCOOH"	102.956829
"917372"	475.158486	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M-H+CF3COOH"	112.985586
"1299914"	511.135164	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Cl+CF3COOH"	148.962264
"1370415"	327.160224	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H-2H2O"	-35.012676
"1386090"	345.1702	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H-H2O"	-17.0027
"287238"	725.353076	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H"	1.007276
"680386"	1087.525976	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H"	1.007276
"1355645"	363.180176	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H"	1.007276
"129992"	363.180176	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2H"	2.014552
"573199"	544.266626	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2H"	2.014552
"1040904"	182.093726	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2H"	2.014552
"210992"	242.455876	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+3H"	3.021828
"652741"	363.180176	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+3H"	3.021828
"1171960"	121.731576	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+3H"	3.021828
"436330"	742.379623	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+NH4"	18.033823
"796231"	1104.552523	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+NH4"	18.033823
"1690376"	380.206723	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+NH4"	18.033823
"343026"	371.6934495	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H+NH4"	19.041099
"734353"	552.7798995	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H+NH4"	19.041099
"1488172"	190.6069995	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+NH4"	19.041099
"404663"	747.335018	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Na"	22.989218
"766753"	1109.507918	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+Na"	22.989218
"1603144"	385.162118	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na"	22.989218
"315045"	374.171147	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H+Na"	23.996494
"708201"	555.257597	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H+Na"	23.996494
"1463480"	193.084697	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+Na"	23.996494
"1057819"	129.05889	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2H+Na"	25.00377
"1260591"	395.206386	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+CH3OH+H"	33.033486
"382448"	763.308958	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+K"	38.963158
"746724"	1125.481858	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+K"	38.963158
"1545861"	401.136058	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K"	38.963158
"304857"	382.158117	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+H+K"	39.970434
"699468"	563.244567	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+H+K"	39.970434
"1451102"	201.071667	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+K"	39.970434
"238610"	766.379626	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+ACN+H"	42.033826
"1213503"	404.206726	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+ACN+H"	42.033826
"1197751"	202.607001	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+ACN+2H"	43.041102
"190620"	769.31696	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2Na-H"	44.97116
"632004"	1131.48986	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2Na-H"	44.97116
"1132957"	407.14406	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2Na-H"	44.97116
"175274"	385.162118	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2Na"	45.978436
"618371"	566.248568	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2Na"	45.978436
"1125160"	204.075668	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2Na"	45.978436
"1406498"	136.386204	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+2Na"	46.985712
"1438613"	409.185646	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+HCOOH"	47.012746
"231590"	390.19514	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+3H2O+2H"	56.04448
"1517465"	423.23769	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+IsoProp+H"	61.06479
"418244"	393.149088	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+Na+K"	61.952376
"777053"	574.235538	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+Na+K"	61.952376
"1669737"	212.062638	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na+K"	61.952376
"261004"	788.361568	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+ACN+Na"	64.015768
"1234806"	426.188668	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+ACN+Na"	64.015768
"1718224"	426.212193	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+NH4+HCOOH"	64.039293
"1184671"	143.713518	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+3Na"	68.967654
"1656751"	431.167588	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na+HCOOH"	68.994688
"163612"	801.26484	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2K-H"	76.91904
"603172"	1163.43774	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2K-H"	76.91904
"1092057"	439.09194	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2K-H"	76.91904
"149969"	401.136058	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"2M+2K"	77.926316
"592809"	582.222508	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"3M+2K"	77.926316
"1079510"	220.049608	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2K"	77.926316
"1112718"	441.106492	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2K+H"	78.933592
"1345822"	441.194107	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+DMSO+H"	79.021207
"1016539"	445.233276	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2ACN+H"	83.060376
"1532478"	446.226908	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+IsoProp+Na+H"	84.054008
"995646"	223.120276	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+2ACN+2H"	84.067652
"1590514"	447.141528	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K+HCOOH"	84.968628
"1415445"	477.173038	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+H+CF3COOH"	115.000138
"1150474"	243.633551	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+3ACN+2H"	125.094202
"1708779"	494.199585	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+NH4+CF3COOH"	132.026685
"1637869"	499.15498	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+Na+CF3COOH"	136.98208
"1573519"	515.12892	"C20456"	"()-Secoisolariciresinol"	"C20H26O6"	"362.1729"	"M+K+CF3COOH"	152.95602
"813732"	237.1392	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M"	0
"985076"	218.12081	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-H2O-H"	-19.01839
"76235"	157.085524	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M-3H"	-3.021828
"516526"	236.131924	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M-3H"	-3.021828
"892870"	78.039124	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-3H"	-3.021828
"13995"	236.131924	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M-2H"	-2.014552
"453554"	354.701524	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M-2H"	-2.014552
"829898"	117.562324	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-2H"	-2.014552
"90983"	473.271124	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M-H"	-1.007276
"530544"	710.410324	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M-H"	-1.007276
"898867"	236.131924	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-H"	-1.007276
"52879"	490.297671	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M-2H+NH4"	16.019271
"488791"	727.436871	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M-2H+NH4"	16.019271
"865499"	253.158471	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-2H+NH4"	16.019271
"34496"	495.253066	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M-2H+Na"	20.974666
"473693"	732.392266	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M-2H+Na"	20.974666
"853319"	258.113866	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-2H+Na"	20.974666
"1619936"	258.113866	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Na-2H"	20.974666
"97561"	254.120263	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M-H+Cl"	33.962126
"548066"	372.689863	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M-H+Cl"	33.962126
"940119"	135.550663	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-H+Cl"	33.962126
"275403"	509.247802	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+Cl"	34.969402
"667827"	746.387002	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+Cl"	34.969402
"1281322"	272.108602	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Cl"	34.969402
"22783"	511.227006	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M-2H+K"	36.948606
"464534"	748.366206	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M-2H+K"	36.948606
"841241"	274.087806	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-2H+K"	36.948606
"1562545"	274.087806	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+K-2H"	36.948606
"954437"	282.137394	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-H+HCOOH"	44.998194
"373014"	519.276601	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+HCOOH-H"	44.998201
"355803"	533.292251	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+Hac-H"	59.013851
"1501355"	296.153051	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Hac-H"	59.013851
"962334"	304.119351	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-H+NaCOOH"	66.980151
"117806"	272.108602	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+2Cl"	69.938804
"558461"	390.678202	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+2Cl"	69.938804
"1027627"	153.539002	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2Cl"	69.938804
"1250122"	316.058085	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Br"	78.918885
"1308923"	318.114072	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Cl+HCOOH"	80.974872
"1326788"	340.096029	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Cl+NaCOOH"	102.956829
"915295"	350.124786	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M-H+CF3COOH"	112.985586
"1295650"	386.101464	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Cl+CF3COOH"	148.962264
"1369796"	202.126524	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H-2H2O"	-35.012676
"1385472"	220.1365	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H-H2O"	-17.0027
"285523"	475.285676	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+H"	1.007276
"678675"	712.424876	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+H"	1.007276
"1355755"	238.146476	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H"	1.007276
"129371"	238.146476	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+2H"	2.014552
"570028"	356.716076	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+2H"	2.014552
"1046483"	119.576876	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2H"	2.014552
"217666"	159.100076	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+3H"	3.021828
"651759"	238.146476	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+3H"	3.021828
"1176445"	80.053676	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+3H"	3.021828
"436439"	492.312223	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+NH4"	18.033823
"796340"	729.451423	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+NH4"	18.033823
"1693765"	255.173023	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+NH4"	18.033823
"340948"	246.6597495	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+H+NH4"	19.041099
"735556"	365.2293495	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+H+NH4"	19.041099
"1489376"	128.0901495	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H+NH4"	19.041099
"404774"	497.267618	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+Na"	22.989218
"767955"	734.406818	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+Na"	22.989218
"1602846"	260.128418	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Na"	22.989218
"315523"	249.137447	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+H+Na"	23.996494
"708675"	367.707047	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+H+Na"	23.996494
"1469057"	130.567847	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H+Na"	23.996494
"1056836"	87.38099	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2H+Na"	25.00377
"1260701"	270.172686	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+CH3OH+H"	33.033486
"381464"	513.241558	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+K"	38.963158
"750114"	750.380758	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+K"	38.963158
"1548887"	276.102358	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+K"	38.963158
"309342"	257.124417	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+H+K"	39.970434
"694111"	375.694017	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+H+K"	39.970434
"1451211"	138.554817	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H+K"	39.970434
"237627"	516.312226	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+ACN+H"	42.033826
"1215800"	279.173026	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+ACN+H"	42.033826
"1198223"	140.090151	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+ACN+2H"	43.041102
"194010"	519.24956	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+2Na-H"	44.97116
"632477"	756.38876	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+2Na-H"	44.97116
"1131650"	282.11036	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2Na-H"	44.97116
"174535"	260.128418	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+2Na"	45.978436
"617385"	378.698018	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+2Na"	45.978436
"1118706"	141.558818	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2Na"	45.978436
"1405512"	94.708304	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H+2Na"	46.985712
"1436536"	284.151946	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H+HCOOH"	47.012746
"224409"	265.16144	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+3H2O+2H"	56.04448
"1513200"	298.20399	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+IsoProp+H"	61.06479
"409605"	268.115388	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+Na+K"	61.952376
"773882"	386.684988	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+Na+K"	61.952376
"1668389"	149.545788	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Na+K"	61.952376
"258927"	538.294168	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+ACN+Na"	64.015768
"1234916"	301.154968	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+ACN+Na"	64.015768
"1722705"	301.178493	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+NH4+HCOOH"	64.039293
"1185874"	102.035618	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+3Na"	68.967654
"1656861"	306.133888	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Na+HCOOH"	68.994688
"161535"	551.19744	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+2K-H"	76.91904
"603282"	788.33664	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+2K-H"	76.91904
"1091074"	314.05824	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2K-H"	76.91904
"153359"	276.102358	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"2M+2K"	77.926316
"590733"	394.671958	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"3M+2K"	77.926316
"1081807"	157.532758	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2K"	77.926316
"1108455"	316.072792	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2K+H"	78.933592
"1345933"	316.160407	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+DMSO+H"	79.021207
"1016648"	320.199576	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2ACN+H"	83.060376
"1532586"	321.193208	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+IsoProp+Na+H"	84.054008
"996849"	160.603426	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+2ACN+2H"	84.067652
"1591353"	322.107828	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+K+HCOOH"	84.968628
"1417014"	352.139338	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+H+CF3COOH"	115.000138
"1149124"	181.116701	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+3ACN+2H"	125.094202
"1711076"	369.165885	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+NH4+CF3COOH"	132.026685
"1637980"	374.12128	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+Na+CF3COOH"	136.98208
"1576910"	390.09522	"C20457"	"68-Dimethyl-6789-tetradehydroergoline"	"C16H17N2"	"237.1392"	"M+K+CF3COOH"	152.95602
"805091"	889.2402	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M"	0
"984090"	870.22181	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-H2O-H"	-19.01839
"73427"	591.819524	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M-3H"	-3.021828
"511894"	888.232924	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M-3H"	-3.021828
"888604"	295.406124	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-3H"	-3.021828
"12646"	888.232924	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M-2H"	-2.014552
"452206"	1332.853024	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M-2H"	-2.014552
"825633"	443.612824	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-2H"	-2.014552
"86719"	1777.473124	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M-H"	-1.007276
"521904"	2666.713324	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M-H"	-1.007276
"900799"	888.232924	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-H"	-1.007276
"50799"	1794.499671	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M-2H+NH4"	16.019271
"491817"	2683.739871	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M-2H+NH4"	16.019271
"866703"	905.259471	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-2H+NH4"	16.019271
"35334"	1799.455066	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M-2H+Na"	20.974666
"483286"	2688.695266	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M-2H+Na"	20.974666
"853433"	910.214866	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-2H+Na"	20.974666
"1629536"	910.214866	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Na-2H"	20.974666
"104970"	906.221263	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M-H+Cl"	33.962126
"543446"	1350.841363	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M-H+Cl"	33.962126
"938054"	461.601163	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-H+Cl"	33.962126
"274425"	1813.449802	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+Cl"	34.969402
"666846"	2702.690002	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+Cl"	34.969402
"1277786"	924.209602	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Cl"	34.969402
"22530"	1815.429006	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M-2H+K"	36.948606
"463551"	2704.669206	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M-2H+K"	36.948606
"838069"	926.188806	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-2H+K"	36.948606
"1561557"	926.188806	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+K-2H"	36.948606
"948347"	934.238394	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-H+HCOOH"	44.998194
"366562"	1823.478601	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+HCOOH-H"	44.998201
"351177"	1837.494251	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+Hac-H"	59.013851
"1494175"	948.254051	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Hac-H"	59.013851
"961718"	956.220351	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-H+NaCOOH"	66.980151
"117918"	924.209602	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+2Cl"	69.938804
"558572"	1368.829702	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+2Cl"	69.938804
"1033933"	479.589502	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2Cl"	69.938804
"1249137"	968.159085	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Br"	78.918885
"1307940"	970.215072	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Cl+HCOOH"	80.974872
"1322522"	992.197029	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Cl+NaCOOH"	102.956829
"914306"	1002.225786	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M-H+CF3COOH"	112.985586
"1291747"	1038.202464	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Cl+CF3COOH"	148.962264
"1370641"	854.227524	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H-2H2O"	-35.012676
"1385586"	872.2375	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H-H2O"	-17.0027
"287825"	1779.487676	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+H"	1.007276
"678787"	2668.727876	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+H"	1.007276
"1357689"	890.247476	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H"	1.007276
"129486"	890.247476	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+2H"	2.014552
"572326"	1334.867576	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+2H"	2.014552
"1048782"	445.627376	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2H"	2.014552
"215589"	593.834076	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+3H"	3.021828
"656243"	890.247476	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+3H"	3.021828
"1173275"	297.420676	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+3H"	3.021828
"435454"	1796.514223	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+NH4"	18.033823
"796447"	2685.754423	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+NH4"	18.033823
"1692779"	907.274023	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+NH4"	18.033823
"342151"	898.7607495	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+H+NH4"	19.041099
"732383"	1343.3808495	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+H+NH4"	19.041099
"1487299"	454.1406495	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H+NH4"	19.041099
"394072"	1801.469618	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+Na"	22.989218
"755069"	2690.709818	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+Na"	22.989218
"1603164"	912.229418	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Na"	22.989218
"315999"	901.238447	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+H+Na"	23.996494
"708785"	1345.858547	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+H+Na"	23.996494
"1463700"	456.618347	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H+Na"	23.996494
"1060226"	304.74799	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2H+Na"	25.00377
"1260811"	922.273686	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+CH3OH+H"	33.033486
"385944"	1817.443558	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+K"	38.963158
"744753"	2706.683758	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+K"	38.963158
"1544620"	928.203358	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+K"	38.963158
"305075"	909.225417	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+H+K"	39.970434
"698591"	1353.845517	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+H+K"	39.970434
"1452413"	464.605317	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H+K"	39.970434
"244293"	1820.514226	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+ACN+H"	42.033826
"1218095"	931.274026	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+ACN+H"	42.033826
"1201980"	466.140651	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+ACN+2H"	43.041102
"191936"	1823.45156	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+2Na-H"	44.97116
"629310"	2712.69176	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+2Na-H"	44.97116
"1132822"	934.21136	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2Na-H"	44.97116
"172975"	912.229418	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+2Na"	45.978436
"613126"	1356.849518	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+2Na"	45.978436
"1119913"	467.609318	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2Na"	45.978436
"1404530"	312.075304	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H+2Na"	46.985712
"1430324"	936.252946	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H+HCOOH"	47.012746
"221603"	917.26244	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+3H2O+2H"	56.04448
"1508475"	950.30499	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+IsoProp+H"	61.06479
"411900"	920.216388	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+Na+K"	61.952376
"776188"	1364.836488	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+Na+K"	61.952376
"1677985"	475.596288	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Na+K"	61.952376
"259037"	1842.496168	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+ACN+Na"	64.015768
"1232838"	953.255968	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+ACN+Na"	64.015768
"1720631"	953.279493	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+NH4+HCOOH"	64.039293
"1183065"	319.402618	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+3Na"	68.967654
"1653325"	958.234888	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Na+HCOOH"	68.994688
"161644"	1855.39944	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+2K-H"	76.91904
"600110"	2744.63964	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+2K-H"	76.91904
"1091186"	966.15924	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2K-H"	76.91904
"146907"	928.203358	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"2M+2K"	77.926316
"586467"	1372.823458	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"3M+2K"	77.926316
"1071710"	483.583258	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2K"	77.926316
"1105283"	968.173792	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2K+H"	78.933592
"1339484"	968.261407	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+DMSO+H"	79.021207
"1011293"	972.300576	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2ACN+H"	83.060376
"1530509"	973.294208	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+IsoProp+Na+H"	84.054008
"994042"	486.653926	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+2ACN+2H"	84.067652
"1589277"	974.208828	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+K+HCOOH"	84.968628
"1422596"	1004.240338	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+H+CF3COOH"	115.000138
"1153979"	507.167201	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+3ACN+2H"	125.094202
"1699160"	1021.266885	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+NH4+CF3COOH"	132.026685
"1636266"	1026.22228	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+Na+CF3COOH"	136.98208
"1573739"	1042.19622	"C20460"	"Cyanidin 3-O-6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside"	"C41H45O22"	"889.2402"	"M+K+CF3COOH"	152.95602
"805202"	192.0423	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M"	0
"982014"	173.02391	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-H2O-H"	-19.01839
"66977"	127.020924	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M-3H"	-3.021828
"509817"	191.035024	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M-3H"	-3.021828
"887620"	63.006824	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-3H"	-3.021828
"7289"	191.035024	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M-2H"	-2.014552
"452316"	287.056174	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M-2H"	-2.014552
"826837"	95.013874	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-2H"	-2.014552
"85736"	383.077324	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M-H"	-1.007276
"520189"	575.119624	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M-H"	-1.007276
"898725"	191.035024	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-H"	-1.007276
"50183"	400.103871	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M-2H+NH4"	16.019271
"490470"	592.146171	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M-2H+NH4"	16.019271
"868273"	208.061571	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-2H+NH4"	16.019271
"38368"	405.059266	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M-2H+Na"	20.974666
"479023"	597.101566	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M-2H+Na"	20.974666
"857931"	213.016966	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-2H+Na"	20.974666
"1626372"	213.016966	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Na-2H"	20.974666
"101807"	209.023363	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M-H+Cl"	33.962126
"546474"	305.044513	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M-H+Cl"	33.962126
"938532"	113.002213	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-H+Cl"	33.962126
"276721"	419.054002	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+Cl"	34.969402
"666955"	611.096302	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+Cl"	34.969402
"1284462"	227.011702	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Cl"	34.969402
"25198"	421.033206	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M-2H+K"	36.948606
"464756"	613.075506	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M-2H+K"	36.948606
"838544"	228.990906	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-2H+K"	36.948606
"1562032"	228.990906	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+K-2H"	36.948606
"949553"	237.040494	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-H+HCOOH"	44.998194
"366677"	429.082801	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+HCOOH-H"	44.998201
"348736"	443.098451	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+Hac-H"	59.013851
"1497205"	251.056151	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Hac-H"	59.013851
"962925"	259.022451	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-H+NaCOOH"	66.980151
"115842"	227.011702	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+2Cl"	69.938804
"554308"	323.032852	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+2Cl"	69.938804
"1029671"	130.990552	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2Cl"	69.938804
"1245969"	270.961185	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Br"	78.918885
"1312061"	273.017172	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Cl+HCOOH"	80.974872
"1319974"	294.999129	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Cl+NaCOOH"	102.956829
"912718"	305.027886	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M-H+CF3COOH"	112.985586
"1296965"	341.004564	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Cl+CF3COOH"	148.962264
"1370751"	157.029624	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H-2H2O"	-35.012676
"1392624"	175.0396	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H-H2O"	-17.0027
"293404"	385.091876	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+H"	1.007276
"683640"	577.134176	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+H"	1.007276
"1359989"	193.049576	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H"	1.007276
"131783"	193.049576	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+2H"	2.014552
"577905"	289.070726	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+2H"	2.014552
"1048892"	97.028426	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2H"	2.014552
"215699"	129.035476	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+3H"	3.021828
"654165"	193.049576	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+3H"	3.021828
"1173385"	65.021376	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+3H"	3.021828
"436657"	402.118423	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+NH4"	18.033823
"796557"	594.160723	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+NH4"	18.033823
"1691796"	210.076123	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+NH4"	18.033823
"341167"	201.5628495	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+H+NH4"	19.041099
"734680"	297.5839995	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+H+NH4"	19.041099
"1480851"	105.5416995	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H+NH4"	19.041099
"395157"	407.073818	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+Na"	22.989218
"756151"	599.116118	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+Na"	22.989218
"1607529"	215.031518	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Na"	22.989218
"316473"	204.040547	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+H+Na"	23.996494
"709259"	300.061697	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+H+Na"	23.996494
"1464903"	108.019397	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H+Na"	23.996494
"1054867"	72.34869	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2H+Na"	25.00377
"1264202"	225.075786	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+CH3OH+H"	33.033486
"382778"	423.047758	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+K"	38.963158
"744867"	615.090058	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+K"	38.963158
"1546920"	231.005458	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+K"	38.963158
"304096"	212.027517	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+H+K"	39.970434
"694330"	308.048667	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+H+K"	39.970434
"1450337"	116.006367	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H+K"	39.970434
"239664"	426.118426	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+ACN+H"	42.033826
"1216020"	234.076126	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+ACN+H"	42.033826
"1196621"	117.541701	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+ACN+2H"	43.041102
"190220"	429.05576	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+2Na-H"	44.97116
"630159"	621.09806	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+2Na-H"	44.97116
"1135852"	237.01346	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2Na-H"	44.97116
"176227"	215.031518	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+2Na"	45.978436
"613152"	311.052668	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+2Na"	45.978436
"1120389"	119.010368	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2Na"	45.978436
"1402820"	79.676004	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H+2Na"	46.985712
"1434937"	239.055046	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H+HCOOH"	47.012746
"222444"	220.06454	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+3H2O+2H"	56.04448
"1509776"	253.10709	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+IsoProp+H"	61.06479
"416397"	223.018488	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+Na+K"	61.952376
"778486"	319.039638	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+Na+K"	61.952376
"1674817"	126.997338	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Na+K"	61.952376
"265710"	448.100368	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+ACN+Na"	64.015768
"1238419"	256.058068	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+ACN+Na"	64.015768
"1720743"	256.081593	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+NH4+HCOOH"	64.039293
"1188284"	87.003318	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+3Na"	68.967654
"1652709"	261.036988	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Na+HCOOH"	68.994688
"159929"	461.00364	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+2K-H"	76.91904
"607878"	653.04594	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+2K-H"	76.91904
"1092391"	268.96134	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2K-H"	76.91904
"145926"	231.005458	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"2M+2K"	77.926316
"584392"	327.026608	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"3M+2K"	77.926316
"1072549"	134.984308	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2K"	77.926316
"1103211"	270.975892	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2K+H"	78.933592
"1338502"	271.063507	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+DMSO+H"	79.021207
"1009218"	275.102676	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2ACN+H"	83.060376
"1527343"	276.096308	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+IsoProp+Na+H"	84.054008
"992700"	138.054976	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+2ACN+2H"	84.067652
"1590485"	277.010928	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+K+HCOOH"	84.968628
"1416147"	307.042438	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+H+CF3COOH"	115.000138
"1151907"	158.568251	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+3ACN+2H"	125.094202
"1697812"	324.068985	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+NH4+CF3COOH"	132.026685
"1634921"	329.02438	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+Na+CF3COOH"	136.98208
"1576039"	344.99832	"C20462"	"57-Dihydroxy-2-methyl-4H-chromen-4-one"	"C10H8O4"	"192.0423"	"M+K+CF3COOH"	152.95602
"808594"	236.0909	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M"	0
"982126"	217.07251	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-H2O-H"	-19.01839
"70367"	156.386657333333	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M-3H"	-3.021828
"514301"	235.083624	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M-3H"	-3.021828
"889915"	77.6896906666667	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-3H"	-3.021828
"8492"	235.083624	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M-2H"	-2.014552
"449146"	353.129074	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M-2H"	-2.014552
"825854"	117.038174	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-2H"	-2.014552
"85846"	471.174524	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M-H"	-1.007276
"528690"	707.265424	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M-H"	-1.007276
"901022"	235.083624	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-H"	-1.007276
"51023"	488.201071	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M-2H+NH4"	16.019271
"490217"	724.291971	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M-2H+NH4"	16.019271
"870573"	252.110171	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-2H+NH4"	16.019271
"38477"	493.156466	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M-2H+Na"	20.974666
"479133"	729.247366	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M-2H+Na"	20.974666
"858042"	257.065566	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-2H+Na"	20.974666
"1627575"	257.065566	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Na-2H"	20.974666
"105199"	253.071963	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M-H+Cl"	33.962126
"548650"	371.117413	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M-H+Cl"	33.962126
"940343"	135.026513	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-H+Cl"	33.962126
"280720"	507.151202	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+Cl"	34.969402
"669616"	743.242102	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+Cl"	34.969402
"1286520"	271.060302	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Cl"	34.969402
"28590"	509.130406	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M-2H+K"	36.948606
"462683"	745.221306	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M-2H+K"	36.948606
"841573"	273.039506	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-2H+K"	36.948606
"1563964"	273.039506	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+K-2H"	36.948606
"950759"	281.089094	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-H+HCOOH"	44.998194
"370065"	517.180001	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+HCOOH-H"	44.998201
"352856"	531.195651	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+Hac-H"	59.013851
"1499502"	295.104751	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Hac-H"	59.013851
"965949"	303.071051	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-H+NaCOOH"	66.980151
"119230"	271.060302	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+2Cl"	69.938804
"558792"	389.105752	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+2Cl"	69.938804
"1028684"	153.014852	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2Cl"	69.938804
"1248995"	315.009785	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Br"	78.918885
"1309624"	317.065772	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Cl+HCOOH"	80.974872
"1323835"	339.047729	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Cl+NaCOOH"	102.956829
"916353"	349.076486	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M-H+CF3COOH"	112.985586
"1295982"	385.053164	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Cl+CF3COOH"	148.962264
"1378517"	201.078224	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H-2H2O"	-35.012676
"1397475"	219.0882	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H-H2O"	-17.0027
"297406"	473.189076	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+H"	1.007276
"689218"	709.279976	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+H"	1.007276
"1362286"	237.098176	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H"	1.007276
"138456"	237.098176	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+2H"	2.014552
"580203"	355.143626	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+2H"	2.014552
"1052041"	119.052726	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2H"	2.014552
"214716"	158.401209333333	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+3H"	3.021828
"657194"	237.098176	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+3H"	3.021828
"1174590"	79.7042426666667	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+3H"	3.021828
"437863"	490.215623	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+NH4"	18.033823
"800680"	726.306523	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+NH4"	18.033823
"1693001"	254.124723	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+NH4"	18.033823
"341278"	245.6114495	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+H+NH4"	19.041099
"735886"	363.6568995	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+H+NH4"	19.041099
"1486428"	127.5659995	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H+NH4"	19.041099
"398547"	495.171018	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+Na"	22.989218
"760637"	731.261918	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+Na"	22.989218
"1612012"	259.080118	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Na"	22.989218
"320955"	248.089147	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+H+Na"	23.996494
"713381"	366.134597	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+H+Na"	23.996494
"1469388"	130.043697	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H+Na"	23.996494
"1064823"	87.0315566666667	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2H+Na"	25.00377
"1270875"	269.124386	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+CH3OH+H"	33.033486
"388355"	511.144958	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+K"	38.963158
"749352"	747.235858	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+K"	38.963158
"1551404"	275.054058	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+K"	38.963158
"303114"	256.076117	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+H+K"	39.970434
"693346"	374.121567	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+H+K"	39.970434
"1447164"	138.030667	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H+K"	39.970434
"239777"	514.215626	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+ACN+H"	42.033826
"1214308"	278.124726	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+ACN+H"	42.033826
"1196741"	139.566001	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+ACN+2H"	43.041102
"191802"	517.15296	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+2Na-H"	44.97116
"632457"	753.24386	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+2Na-H"	44.97116
"1139243"	281.06206	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2Na-H"	44.97116
"181441"	259.080118	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+2Na"	45.978436
"617723"	377.125568	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+2Na"	45.978436
"1121960"	141.034668	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2Na"	45.978436
"1403663"	94.3588706666667	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H+2Na"	46.985712
"1435411"	283.103646	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H+HCOOH"	47.012746
"222918"	264.11314	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+3H2O+2H"	56.04448
"1509279"	297.15569	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+IsoProp+H"	61.06479
"419789"	267.067088	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+Na+K"	61.952376
"783700"	385.112538	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+Na+K"	61.952376
"1681006"	149.021638	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Na+K"	61.952376
"266675"	536.197568	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+ACN+Na"	64.015768
"1238529"	300.106668	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+ACN+Na"	64.015768
"1720853"	300.130193	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+NH4+HCOOH"	64.039293
"1188394"	101.686184666667	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+3Na"	68.967654
"1658286"	305.085588	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Na+HCOOH"	68.994688
"158947"	549.10084	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+2K-H"	76.91904
"601427"	785.19174	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+2K-H"	76.91904
"1091408"	313.00994	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2K-H"	76.91904
"143850"	275.054058	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"2M+2K"	77.926316
"585596"	393.099508	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"3M+2K"	77.926316
"1072295"	157.008608	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2K"	77.926316
"1105508"	315.024492	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2K+H"	78.933592
"1344080"	315.112107	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+DMSO+H"	79.021207
"1014796"	319.151276	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2ACN+H"	83.060376
"1527454"	320.144908	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+IsoProp+Na+H"	84.054008
"998278"	160.079276	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+2ACN+2H"	84.067652
"1593879"	321.059528	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+K+HCOOH"	84.968628
"1415288"	351.091038	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+H+CF3COOH"	115.000138
"1154204"	180.592551	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+3ACN+2H"	125.094202
"1702662"	368.117585	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+NH4+CF3COOH"	132.026685
"1645968"	373.07298	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+Na+CF3COOH"	136.98208
"1581618"	389.04692	"C20463"	"Purine deoxyribonucleoside;Purine 2-deoxyribonucleoside"	"C10H12N4O3"	"236.0909"	"M+K+CF3COOH"	152.95602
"805424"	134.0732	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M"	0
"974401"	115.05481	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-H2O-H"	-19.01839
"71569"	88.3748573333333	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M-3H"	-3.021828
"505663"	133.065924	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M-3H"	-3.021828
"886743"	43.6837906666667	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-3H"	-3.021828
"4227"	133.065924	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M-2H"	-2.014552
"444880"	200.102524	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M-2H"	-2.014552
"821590"	66.029324	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-2H"	-2.014552
"84862"	267.139124	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M-H"	-1.007276
"525520"	401.212324	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M-H"	-1.007276
"900766"	133.065924	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-H"	-1.007276
"50402"	284.165671	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M-2H+NH4"	16.019271
"492150"	418.238871	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M-2H+NH4"	16.019271
"870684"	150.092471	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-2H+NH4"	16.019271
"35667"	289.121066	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M-2H+Na"	20.974666
"479243"	423.194266	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M-2H+Na"	20.974666
"862160"	155.047866	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-2H+Na"	20.974666
"1633150"	155.047866	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Na-2H"	20.974666
"105309"	151.054263	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M-H+Cl"	33.962126
"548881"	218.090863	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M-H+Cl"	33.962126
"940571"	84.017663	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-H+Cl"	33.962126
"280221"	303.115802	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+Cl"	34.969402
"671547"	437.189002	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+Cl"	34.969402
"1283951"	169.042602	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Cl"	34.969402
"29787"	305.095006	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M-2H+K"	36.948606
"466072"	439.168206	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M-2H+K"	36.948606
"843869"	171.021806	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-2H+K"	36.948606
"1564439"	171.021806	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+K-2H"	36.948606
"951958"	179.071394	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-H+HCOOH"	44.998194
"370174"	313.144601	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+HCOOH-H"	44.998201
"355152"	327.160251	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+Hac-H"	59.013851
"1501798"	193.087051	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Hac-H"	59.013851
"964235"	201.053351	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-H+NaCOOH"	66.980151
"117883"	169.042602	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+2Cl"	69.938804
"559631"	236.079202	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+2Cl"	69.938804
"1032074"	102.006002	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2Cl"	69.938804
"1249469"	212.992085	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Br"	78.918885
"1310824"	215.048072	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Cl+HCOOH"	80.974872
"1320134"	237.030029	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Cl+NaCOOH"	102.956829
"914277"	247.058786	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M-H+CF3COOH"	112.985586
"1296092"	283.035464	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Cl+CF3COOH"	148.962264
"1375347"	99.060524	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H-2H2O"	-35.012676
"1397827"	117.0705	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H-H2O"	-17.0027
"298371"	269.153676	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+H"	1.007276
"691111"	403.226876	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+H"	1.007276
"1365312"	135.080476	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H"	1.007276
"140755"	135.080476	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+2H"	2.014552
"579220"	202.117076	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+2H"	2.014552
"1051300"	68.043876	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2H"	2.014552
"219200"	90.3894093333333	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+3H"	3.021828
"654387"	135.080476	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+3H"	3.021828
"1174700"	45.6983426666667	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+3H"	3.021828
"439067"	286.180223	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+NH4"	18.033823
"800426"	420.253423	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+NH4"	18.033823
"1696027"	152.107023	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+NH4"	18.033823
"343575"	143.5937495	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+H+NH4"	19.041099
"733810"	210.6303495	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+H+NH4"	19.041099
"1487631"	76.5571495	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H+NH4"	19.041099
"398657"	291.135618	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+Na"	22.989218
"762934"	425.208818	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+Na"	22.989218
"1612123"	157.062418	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Na"	22.989218
"322159"	146.071447	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+H+Na"	23.996494
"716771"	213.108047	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+H+Na"	23.996494
"1471685"	79.034847	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H+Na"	23.996494
"1067849"	53.0256566666667	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2H+Na"	25.00377
"1270985"	167.106686	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+CH3OH+H"	33.033486
"389559"	307.109558	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+K"	38.963158
"753472"	441.182758	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+K"	38.963158
"1551150"	173.036358	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+K"	38.963158
"305410"	154.058417	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+H+K"	39.970434
"693454"	221.095017	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+H+K"	39.970434
"1447637"	87.021817	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H+K"	39.970434
"243533"	310.180226	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+ACN+H"	42.033826
"1216241"	176.107026	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+ACN+H"	42.033826
"1196114"	88.557151	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+ACN+2H"	43.041102
"191907"	313.11756	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+2Na-H"	44.97116
"632567"	447.19076	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+2Na-H"	44.97116
"1139353"	179.04436	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2Na-H"	44.97116
"179000"	157.062418	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+2Na"	45.978436
"620748"	224.099018	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+2Na"	45.978436
"1126807"	90.025818	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2Na"	45.978436
"1405956"	60.3529706666667	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H+2Na"	46.985712
"1436979"	181.085946	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H+HCOOH"	47.012746
"223757"	162.09544	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+3H2O+2H"	56.04448
"1510361"	195.13799	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+IsoProp+H"	61.06479
"423747"	165.049388	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+Na+K"	61.952376
"784174"	232.085988	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+Na+K"	61.952376
"1680144"	98.012788	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Na+K"	61.952376
"266664"	332.162168	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+ACN+Na"	64.015768
"1241195"	198.088968	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+ACN+Na"	64.015768
"1724243"	198.112493	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+NH4+HCOOH"	64.039293
"1188504"	67.6802846666667	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+3Na"	68.967654
"1661676"	203.067888	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Na+HCOOH"	68.994688
"160153"	345.06544	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+2K-H"	76.91904
"607004"	479.13864	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+2K-H"	76.91904
"1087141"	210.99224	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2K-H"	76.91904
"144325"	173.036358	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"2M+2K"	77.926316
"584611"	240.072958	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"3M+2K"	77.926316
"1071312"	105.999758	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2K"	77.926316
"1105618"	213.006792	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2K+H"	78.933592
"1344190"	213.094407	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+DMSO+H"	79.021207
"1013813"	217.133576	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2ACN+H"	83.060376
"1529751"	218.127208	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+IsoProp+Na+H"	84.054008
"994014"	109.070426	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+2ACN+2H"	84.067652
"1597268"	219.041828	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+K+HCOOH"	84.968628
"1421836"	249.073338	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+H+CF3COOH"	115.000138
"1154314"	129.583701	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+3ACN+2H"	125.094202
"1703865"	266.099885	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+NH4+CF3COOH"	132.026685
"1647171"	271.05528	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+Na+CF3COOH"	136.98208
"1581728"	287.02922	"C20464"	"Isochavicol;t-Anol;trans-Anol;(E)-4-Propenylphenol;(E)-4-Hydroxypropenylbenzene"	"C9H10O"	"134.0732"	"M+K+CF3COOH"	152.95602
"808814"	192.0786	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M"	0
"974308"	173.06021	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-H2O-H"	-19.01839
"70586"	127.045124	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M-3H"	-3.021828
"507960"	191.071324	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M-3H"	-3.021828
"885760"	63.018924	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-3H"	-3.021828
"4337"	191.071324	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M-2H"	-2.014552
"444990"	287.110624	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M-2H"	-2.014552
"821700"	95.032024	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-2H"	-2.014552
"83879"	383.149924	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M-H"	-1.007276
"525630"	575.228524	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M-H"	-1.007276
"898325"	191.071324	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-H"	-1.007276
"50147"	400.176471	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M-2H+NH4"	16.019271
"490803"	592.255071	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M-2H+NH4"	16.019271
"870794"	208.097871	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-2H+NH4"	16.019271
"36507"	405.131866	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M-2H+Na"	20.974666
"476070"	597.210466	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M-2H+Na"	20.974666
"863607"	213.053266	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-2H+Na"	20.974666
"1632896"	213.053266	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Na-2H"	20.974666
"107605"	209.059663	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M-H+Cl"	33.962126
"549275"	305.098963	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M-H+Cl"	33.962126
"941289"	113.020363	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-H+Cl"	33.962126
"277048"	419.126602	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+Cl"	34.969402
"673844"	611.205202	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+Cl"	34.969402
"1285154"	227.048002	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Cl"	34.969402
"28804"	421.105806	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M-2H+K"	36.948606
"466182"	613.184406	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M-2H+K"	36.948606
"843979"	229.027206	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-2H+K"	36.948606
"1564185"	229.027206	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+K-2H"	36.948606
"953161"	237.076794	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-H+HCOOH"	44.998194
"370284"	429.155401	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+HCOOH-H"	44.998201
"354167"	443.171051	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+Hac-H"	59.013851
"1499721"	251.092451	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Hac-H"	59.013851
"962889"	259.058751	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-H+NaCOOH"	66.980151
"118357"	227.048002	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+2Cl"	69.938804
"560105"	323.087302	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+2Cl"	69.938804
"1029997"	131.008702	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2Cl"	69.938804
"1246299"	270.997485	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Br"	78.918885
"1304976"	273.053472	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Cl+HCOOH"	80.974872
"1322595"	295.035429	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Cl+NaCOOH"	102.956829
"911629"	305.064186	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M-H+CF3COOH"	112.985586
"1292922"	341.040864	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Cl+CF3COOH"	148.962264
"1370354"	157.065924	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H-2H2O"	-35.012676
"1395141"	175.0759	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H-H2O"	-17.0027
"297625"	385.164476	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+H"	1.007276
"689438"	577.243076	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+H"	1.007276
"1364693"	193.085876	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H"	1.007276
"140623"	193.085876	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+2H"	2.014552
"577873"	289.125176	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+2H"	2.014552
"1048859"	97.046576	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2H"	2.014552
"215666"	129.059676	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+3H"	3.021828
"653404"	193.085876	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+3H"	3.021828
"1174810"	65.033476	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+3H"	3.021828
"439301"	402.191023	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+NH4"	18.033823
"799445"	594.269623	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+NH4"	18.033823
"1694314"	210.112423	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+NH4"	18.033823
"342230"	201.5991495	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+H+NH4"	19.041099
"735745"	297.6384495	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+H+NH4"	19.041099
"1487740"	105.5598495	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H+NH4"	19.041099
"397673"	407.146418	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+Na"	22.989218
"763044"	599.225018	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+Na"	22.989218
"1614420"	215.067818	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Na"	22.989218
"324092"	204.076847	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+H+Na"	23.996494
"714330"	300.116147	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+H+Na"	23.996494
"1471431"	108.037547	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H+Na"	23.996494
"1065043"	72.36079	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2H+Na"	25.00377
"1270002"	225.112086	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+CH3OH+H"	33.033486
"385295"	423.120358	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+K"	38.963158
"749571"	615.198958	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+K"	38.963158
"1549437"	231.041758	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+K"	38.963158
"303332"	212.063817	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+H+K"	39.970434
"695022"	308.103117	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+H+K"	39.970434
"1447019"	116.024517	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H+K"	39.970434
"242549"	426.191026	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+ACN+H"	42.033826
"1215257"	234.112426	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+ACN+H"	42.033826
"1195860"	117.559851	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+ACN+2H"	43.041102
"193110"	429.12836	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+2Na-H"	44.97116
"634864"	621.20696	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+2Na-H"	44.97116
"1139464"	237.04976	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2Na-H"	44.97116
"178746"	215.067818	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+2Na"	45.978436
"620858"	311.107118	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+2Na"	45.978436
"1126187"	119.028518	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2Na"	45.978436
"1406066"	79.688104	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H+2Na"	46.985712
"1436360"	239.091346	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H+HCOOH"	47.012746
"227877"	220.10084	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+3H2O+2H"	56.04448
"1510107"	253.14339	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+IsoProp+H"	61.06479
"410158"	223.054788	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+Na+K"	61.952376
"782097"	319.094088	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+Na+K"	61.952376
"1679522"	127.015488	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Na+K"	61.952376
"266530"	448.172968	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+ACN+Na"	64.015768
"1241143"	256.094368	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+ACN+Na"	64.015768
"1724353"	256.117893	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+NH4+HCOOH"	64.039293
"1188614"	87.015418	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+3Na"	68.967654
"1659599"	261.073288	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Na+HCOOH"	68.994688
"159899"	461.07624	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+2K-H"	76.91904
"603834"	653.15484	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+2K-H"	76.91904
"1086159"	268.99764	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2K-H"	76.91904
"146254"	231.041758	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"2M+2K"	77.926316
"596876"	327.081058	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"3M+2K"	77.926316
"1073607"	135.002458	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2K"	77.926316
"1104634"	271.012192	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2K+H"	78.933592
"1341019"	271.099807	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+DMSO+H"	79.021207
"1009546"	275.138976	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2ACN+H"	83.060376
"1529861"	276.132608	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+IsoProp+Na+H"	84.054008
"994124"	138.073126	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+2ACN+2H"	84.067652
"1597378"	277.047228	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+K+HCOOH"	84.968628
"1421946"	307.078738	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+H+CF3COOH"	115.000138
"1155517"	158.586401	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+3ACN+2H"	125.094202
"1702882"	324.105285	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+NH4+CF3COOH"	132.026685
"1647281"	329.06068	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+Na+CF3COOH"	136.98208
"1581838"	345.03462	"C20465"	"Coumaryl acetate"	"C11H12O3"	"192.0786"	"M+K+CF3COOH"	152.95602
"805644"	803.5465	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M"	0
"974455"	784.52811	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-H2O-H"	-19.01839
"67416"	534.690390666667	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M-3H"	-3.021828
"508070"	802.539224	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M-3H"	-3.021828
"884777"	266.841557333333	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-3H"	-3.021828
"8821"	802.539224	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M-2H"	-2.014552
"450568"	1204.312474	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M-2H"	-2.014552
"825090"	400.765974	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-2H"	-2.014552
"87270"	1606.085724	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M-H"	-1.007276
"525740"	2409.632224	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M-H"	-1.007276
"899165"	802.539224	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-H"	-1.007276
"52447"	1623.112271	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M-2H+NH4"	16.019271
"499298"	2426.658771	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M-2H+NH4"	16.019271
"875284"	819.565771	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-2H+NH4"	16.019271
"44636"	1628.067666	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M-2H+Na"	20.974666
"476179"	2431.614166	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M-2H+Na"	20.974666
"863597"	824.521166	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-2H+Na"	20.974666
"1633494"	824.521166	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Na-2H"	20.974666
"108323"	820.527563	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M-H+Cl"	33.962126
"548979"	1222.300813	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M-H+Cl"	33.962126
"941885"	418.754313	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-H+Cl"	33.962126
"277158"	1642.062402	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+Cl"	34.969402
"674561"	2445.608902	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+Cl"	34.969402
"1280888"	838.515902	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Cl"	34.969402
"19068"	1644.041606	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M-2H+K"	36.948606
"463005"	2447.588106	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M-2H+K"	36.948606
"844089"	840.495106	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-2H+K"	36.948606
"1563202"	840.495106	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+K-2H"	36.948606
"953271"	848.544694	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-H+HCOOH"	44.998194
"370394"	1652.091201	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+HCOOH-H"	44.998201
"355370"	1666.106851	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+Hac-H"	59.013851
"1499831"	862.560351	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Hac-H"	59.013851
"965185"	870.526651	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-H+NaCOOH"	66.980151
"118467"	838.515902	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+2Cl"	69.938804
"559124"	1240.289152	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+2Cl"	69.938804
"1031205"	436.742652	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2Cl"	69.938804
"1247502"	882.465385	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Br"	78.918885
"1305939"	884.521372	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Cl+HCOOH"	80.974872
"1320314"	906.503329	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Cl+NaCOOH"	102.956829
"911944"	916.532086	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M-H+CF3COOH"	112.985586
"1293032"	952.508764	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Cl+CF3COOH"	148.962264
"1369371"	768.533824	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H-2H2O"	-35.012676
"1390877"	786.5438	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H-H2O"	-17.0027
"297127"	1608.100276	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+H"	1.007276
"685173"	2411.646776	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+H"	1.007276
"1366752"	804.553776	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H"	1.007276
"136600"	804.553776	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+2H"	2.014552
"577983"	1206.327026	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+2H"	2.014552
"1047145"	402.780526	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2H"	2.014552
"217234"	536.704942666667	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+3H"	3.021828
"657888"	804.553776	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+3H"	3.021828
"1176743"	268.856109333333	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+3H"	3.021828
"437100"	1625.126823	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+NH4"	18.033823
"797732"	2428.673323	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+NH4"	18.033823
"1694792"	821.580323	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+NH4"	18.033823
"344287"	813.0670495	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+H+NH4"	19.041099
"736950"	1214.8402995	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+H+NH4"	19.041099
"1487851"	411.2937995	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H+NH4"	19.041099
"403251"	1630.082218	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+Na"	22.989218
"765340"	2433.628718	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+Na"	22.989218
"1613803"	826.535718	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Na"	22.989218
"326389"	815.544747	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+H+Na"	23.996494
"716993"	1217.317997	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+H+Na"	23.996494
"1476043"	413.771497	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H+Na"	23.996494
"1066857"	276.183423333333	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2H+Na"	25.00377
"1269019"	836.579986	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+CH3OH+H"	33.033486
"388687"	1646.056158	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+K"	38.963158
"748590"	2449.602658	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+K"	38.963158
"1546266"	842.509658	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+K"	38.963158
"305628"	823.531717	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+H+K"	39.970434
"696956"	1225.304967	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+H+K"	39.970434
"1448223"	421.758467	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H+K"	39.970434
"242659"	1649.126826	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+ACN+H"	42.033826
"1215367"	845.580326	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+ACN+H"	42.033826
"1206905"	423.293801	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+ACN+2H"	43.041102
"189940"	1652.06416	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+2Na-H"	44.97116
"637161"	2455.61066	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+2Na-H"	44.97116
"1136659"	848.51766	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2Na-H"	44.97116
"181773"	826.535718	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+2Na"	45.978436
"618417"	1228.308968	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+2Na"	45.978436
"1128120"	424.762468	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2Na"	45.978436
"1405084"	283.510737333333	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H+2Na"	46.985712
"1439386"	850.559246	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H+HCOOH"	47.012746
"227987"	831.56874	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+3H2O+2H"	56.04448
"1509488"	864.61129	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+IsoProp+H"	61.06479
"409175"	834.522688	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+Na+K"	61.952376
"784152"	1236.295938	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+Na+K"	61.952376
"1678540"	432.749438	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Na+K"	61.952376
"266642"	1671.108768	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+ACN+Na"	64.015768
"1240686"	867.562268	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+ACN+Na"	64.015768
"1725556"	867.585793	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+NH4+HCOOH"	64.039293
"1189817"	290.838051333333	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+3Na"	68.967654
"1658615"	872.541188	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Na+HCOOH"	68.994688
"161101"	1684.01204	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+2K-H"	76.91904
"603944"	2487.55854	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+2K-H"	76.91904
"1089549"	880.46554	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2K-H"	76.91904
"149645"	842.509658	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"2M+2K"	77.926316
"594673"	1244.282908	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"3M+2K"	77.926316
"1076997"	440.736408	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2K"	77.926316
"1111301"	882.480092	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2K+H"	78.933592
"1341127"	882.567707	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+DMSO+H"	79.021207
"1010748"	886.606876	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2ACN+H"	83.060376
"1527785"	887.600508	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+IsoProp+Na+H"	84.054008
"992771"	443.807076	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+2ACN+2H"	84.067652
"1587644"	888.515128	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+K+HCOOH"	84.968628
"1422056"	918.546638	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+H+CF3COOH"	115.000138
"1155627"	464.320351	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+3ACN+2H"	125.094202
"1702992"	935.573185	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+NH4+CF3COOH"	132.026685
"1647391"	940.52858	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+Na+CF3COOH"	136.98208
"1581948"	956.50252	"C20466"	"23-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine"	"C46H78NO8P"	"803.5465"	"M+K+CF3COOH"	152.95602
"804659"	581.1506	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M"	0
"975637"	562.13221	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-H2O-H"	-19.01839
"68618"	386.426457333333	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M-3H"	-3.021828
"507087"	580.143324	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M-3H"	-3.021828
"884888"	192.709590666667	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-3H"	-3.021828
"10024"	580.143324	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M-2H"	-2.014552
"449586"	870.718624	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M-2H"	-2.014552
"827387"	289.568024	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-2H"	-2.014552
"86289"	1161.293924	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M-H"	-1.007276
"525850"	1742.444524	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M-H"	-1.007276
"900368"	580.143324	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-H"	-1.007276
"53650"	1178.320471	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M-2H+NH4"	16.019271
"499408"	1759.471071	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M-2H+NH4"	16.019271
"873201"	597.169871	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-2H+NH4"	16.019271
"36727"	1183.275866	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M-2H+Na"	20.974666
"483841"	1764.426466	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M-2H+Na"	20.974666
"862127"	602.125266	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-2H+Na"	20.974666
"1632637"	602.125266	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Na-2H"	20.974666
"107465"	598.131663	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M-H+Cl"	33.962126
"546297"	888.706963	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M-H+Cl"	33.962126
"940295"	307.556363	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-H+Cl"	33.962126
"276173"	1197.270602	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+Cl"	34.969402
"670782"	1778.421202	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+Cl"	34.969402
"1278081"	616.120002	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Cl"	34.969402
"26835"	1199.249806	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M-2H+K"	36.948606
"470045"	1780.400406	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M-2H+K"	36.948606
"847120"	618.099206	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-2H+K"	36.948606
"1569511"	618.099206	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+K-2H"	36.948606
"950102"	626.148794	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-H+HCOOH"	44.998194
"372693"	1207.299401	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+HCOOH-H"	44.998201
"351110"	1221.315051	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+Hac-H"	59.013851
"1501037"	640.164451	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Hac-H"	59.013851
"966392"	648.130751	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-H+NaCOOH"	66.980151
"117485"	616.120002	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+2Cl"	69.938804
"561785"	906.695302	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+2Cl"	69.938804
"1021467"	325.544702	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2Cl"	69.938804
"1243233"	660.069485	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Br"	78.918885
"1307503"	662.125472	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Cl+HCOOH"	80.974872
"1321354"	684.107429	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Cl+NaCOOH"	102.956829
"917529"	694.136186	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M-H+CF3COOH"	112.985586
"1297517"	730.112864	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Cl+CF3COOH"	148.962264
"1373491"	546.137924	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H-2H2O"	-35.012676
"1389895"	564.1479	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H-H2O"	-17.0027
"287396"	1163.308476	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+H"	1.007276
"683098"	1744.459076	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+H"	1.007276
"1357259"	582.157876	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H"	1.007276
"136708"	582.157876	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+2H"	2.014552
"574083"	872.733176	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+2H"	2.014552
"1050536"	291.582576	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2H"	2.014552
"216251"	388.441009333333	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+3H"	3.021828
"656905"	582.157876	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+3H"	3.021828
"1177706"	194.724142666667	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+3H"	3.021828
"436114"	1180.335023	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+NH4"	18.033823
"796017"	1761.485623	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+NH4"	18.033823
"1694533"	599.184423	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+NH4"	18.033823
"342812"	590.6711495	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+H+NH4"	19.041099
"731956"	881.2464495	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+H+NH4"	19.041099
"1483590"	300.0958495	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H+NH4"	19.041099
"402269"	1185.290418	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+Na"	22.989218
"765450"	1766.441018	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+Na"	22.989218
"1613547"	604.139818	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Na"	22.989218
"322495"	593.148847	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+H+Na"	23.996494
"718197"	883.724147	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+H+Na"	23.996494
"1473110"	302.573547	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H+Na"	23.996494
"1061983"	202.051456666667	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2H+Na"	25.00377
"1265848"	614.184086	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+CH3OH+H"	33.033486
"391348"	1201.264358	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+K"	38.963158
"752343"	1782.414958	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+K"	38.963158
"1546375"	620.113758	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+K"	38.963158
"304644"	601.135817	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+H+K"	39.970434
"694878"	891.711117	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+H+K"	39.970434
"1450885"	310.560517	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H+K"	39.970434
"241674"	1204.335026	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+ACN+H"	42.033826
"1215476"	623.184426	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+ACN+H"	42.033826
"1200460"	312.095851	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+ACN+2H"	43.041102
"196618"	1207.27236	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+2Na-H"	44.97116
"634358"	1788.42296	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+2Na-H"	44.97116
"1140780"	626.12176	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2Na-H"	44.97116
"180425"	604.139818	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+2Na"	45.978436
"621808"	894.715118	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+2Na"	45.978436
"1124951"	313.564518	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2Na"	45.978436
"1408474"	209.378770666667	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H+2Na"	46.985712
"1437310"	628.163346	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H+HCOOH"	47.012746
"228097"	609.17284	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+3H2O+2H"	56.04448
"1520536"	642.21539	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+IsoProp+H"	61.06479
"420229"	612.126788	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+Na+K"	61.952376
"780133"	902.702088	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+Na+K"	61.952376
"1676464"	321.551488	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Na+K"	61.952376
"264074"	1226.316968	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+ACN+Na"	64.015768
"1240428"	645.166368	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+ACN+Na"	64.015768
"1724574"	645.189893	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+NH4+HCOOH"	64.039293
"1189927"	216.706084666667	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+3Na"	68.967654
"1656540"	650.145288	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Na+HCOOH"	68.994688
"161212"	1239.22024	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+2K-H"	76.91904
"607331"	1820.37084	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+2K-H"	76.91904
"1091844"	658.06964	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2K-H"	76.91904
"153032"	620.113758	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"2M+2K"	77.926316
"592595"	910.689058	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"3M+2K"	77.926316
"1071639"	329.538458	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2K"	77.926316
"1103029"	660.084192	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2K+H"	78.933592
"1339053"	660.171807	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+DMSO+H"	79.021207
"1009036"	664.210976	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2ACN+H"	83.060376
"1527890"	665.204608	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+IsoProp+Na+H"	84.054008
"994345"	332.609126	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+2ACN+2H"	84.067652
"1589945"	666.119228	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+K+HCOOH"	84.968628
"1428733"	696.150738	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+H+CF3COOH"	115.000138
"1161206"	353.122401	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+3ACN+2H"	125.094202
"1709663"	713.177285	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+NH4+CF3COOH"	132.026685
"1640940"	718.13268	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+Na+CF3COOH"	136.98208
"1575497"	734.10662	"C20468"	"Cyanidin 3-O-(beta-D-xylosyl-(1-2)-beta-D-galactoside)"	"C26H29O15"	"581.1506"	"M+K+CF3COOH"	152.95602
"802579"	611.1612	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M"	0
"979396"	592.14281	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H2O-H"	-19.01839
"65450"	406.433524	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-3H"	-3.021828
"511573"	610.153924	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-3H"	-3.021828
"884999"	202.713124	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-3H"	-3.021828
"4668"	610.153924	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H"	-2.014552
"441799"	915.734524	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H"	-2.014552
"826404"	304.573324	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H"	-2.014552
"88587"	1221.315124	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-H"	-1.007276
"522680"	1832.476324	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-H"	-1.007276
"902666"	610.153924	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H"	-1.007276
"59228"	1238.341671	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H+NH4"	16.019271
"499524"	1849.502871	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H+NH4"	16.019271
"864931"	627.180471	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H+NH4"	16.019271
"33679"	1243.297066	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H+Na"	20.974666
"486383"	1854.458266	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H+Na"	20.974666
"862599"	632.135866	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H+Na"	20.974666
"1632749"	632.135866	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na-2H"	20.974666
"107213"	628.142263	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-H+Cl"	33.962126
"549205"	933.722863	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-H+Cl"	33.962126
"941985"	322.561663	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+Cl"	33.962126
"277377"	1257.291802	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Cl"	34.969402
"674298"	1868.453002	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+Cl"	34.969402
"1278921"	646.130602	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl"	34.969402
"24758"	1259.271006	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M-2H+K"	36.948606
"471131"	1870.432206	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M-2H+K"	36.948606
"842122"	648.109806	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-2H+K"	36.948606
"1568163"	648.109806	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K-2H"	36.948606
"950212"	656.159394	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+HCOOH"	44.998194
"368428"	1267.320601	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+HCOOH-H"	44.998201
"353407"	1281.336251	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Hac-H"	59.013851
"1501147"	670.175051	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Hac-H"	59.013851
"965409"	678.141351	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+NaCOOH"	66.980151
"113223"	646.130602	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2Cl"	69.938804
"558250"	951.711202	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2Cl"	69.938804
"1022306"	340.550002	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2Cl"	69.938804
"1242372"	690.080085	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Br"	78.918885
"1304816"	692.136072	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl+HCOOH"	80.974872
"1320370"	714.118029	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl+NaCOOH"	102.956829
"916545"	724.146786	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M-H+CF3COOH"	112.985586
"1297627"	760.123464	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Cl+CF3COOH"	148.962264
"1370321"	576.148524	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H-2H2O"	-35.012676
"1396567"	594.1585	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H-H2O"	-17.0027
"290787"	1223.329676	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H"	1.007276
"683207"	1834.490876	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H"	1.007276
"1356275"	612.168476	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H"	1.007276
"132444"	612.168476	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2H"	2.014552
"574191"	917.749076	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2H"	2.014552
"1050646"	306.587876	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2H"	2.014552
"214173"	408.448076	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+3H"	3.021828
"653732"	612.168476	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+3H"	3.021828
"1177327"	204.727676	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+3H"	3.021828
"434038"	1240.356223	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+NH4"	18.033823
"796127"	1851.517423	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+NH4"	18.033823
"1692457"	629.195023	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+NH4"	18.033823
"341830"	620.6817495	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H+NH4"	19.041099
"733160"	926.2623495	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H+NH4"	19.041099
"1489168"	315.1011495	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+NH4"	19.041099
"403473"	1245.311618	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Na"	22.989218
"764465"	1856.472818	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+Na"	22.989218
"1610379"	634.150418	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na"	22.989218
"327346"	623.159447	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H+Na"	23.996494
"719402"	928.740047	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H+Na"	23.996494
"1471034"	317.578847	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+Na"	23.996494
"1060999"	212.05499	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2H+Na"	25.00377
"1263770"	644.194686	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+CH3OH+H"	33.033486
"385624"	1261.285558	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+K"	38.963158
"742247"	1872.446758	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+K"	38.963158
"1542113"	650.124358	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K"	38.963158
"300745"	631.146417	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+H+K"	39.970434
"692435"	936.727017	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+H+K"	39.970434
"1446376"	325.565817	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+K"	39.970434
"236679"	1264.356226	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+ACN+H"	42.033826
"1211940"	653.195026	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+ACN+H"	42.033826
"1199476"	327.101151	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+ACN+2H"	43.041102
"191255"	1267.29356	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2Na-H"	44.97116
"635195"	1878.45476	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2Na-H"	44.97116
"1133112"	656.13236	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2Na-H"	44.97116
"177982"	634.150418	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2Na"	45.978436
"618637"	939.731018	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2Na"	45.978436
"1119227"	328.569818	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2Na"	45.978436
"1404210"	219.382304	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+2Na"	46.985712
"1434140"	658.173946	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+HCOOH"	47.012746
"222740"	639.18344	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+3H2O+2H"	56.04448
"1517367"	672.22599	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+IsoProp+H"	61.06479
"413048"	642.137388	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+Na+K"	61.952376
"778054"	947.717988	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+Na+K"	61.952376
"1676571"	336.556788	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na+K"	61.952376
"263090"	1286.338168	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+ACN+Na"	64.015768
"1237985"	675.176968	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+ACN+Na"	64.015768
"1722497"	675.200493	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+NH4+HCOOH"	64.039293
"1186757"	226.709618	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+3Na"	68.967654
"1656650"	680.155888	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na+HCOOH"	68.994688
"163511"	1299.24144	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2K-H"	76.91904
"605257"	1910.40264	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2K-H"	76.91904
"1089770"	688.08024	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2K-H"	76.91904
"149866"	650.124358	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"2M+2K"	77.926316
"585053"	955.704958	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"3M+2K"	77.926316
"1069565"	344.543758	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2K"	77.926316
"1102777"	690.094792	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2K+H"	78.933592
"1342441"	690.182407	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+DMSO+H"	79.021207
"1015344"	694.221576	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2ACN+H"	83.060376
"1529096"	695.215208	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+IsoProp+Na+H"	84.054008
"991900"	347.614426	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+2ACN+2H"	84.067652
"1587859"	696.129828	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K+HCOOH"	84.968628
"1428722"	726.161338	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+H+CF3COOH"	115.000138
"1160952"	368.127701	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+3ACN+2H"	125.094202
"1699932"	743.187885	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+NH4+CF3COOH"	132.026685
"1641050"	748.14328	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+Na+CF3COOH"	136.98208
"1575607"	764.11722	"C20469"	"Cyanidin 37-di-O-beta-D-glucoside"	"C27H31O16"	"611.1612"	"M+K+CF3COOH"	152.95602
"802693"	330.0951	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M"	0
"979505"	311.07671	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-H2O-H"	-19.01839
"65193"	219.056124	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M-3H"	-3.021828
"506215"	329.087824	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M-3H"	-3.021828
"889483"	109.024424	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-3H"	-3.021828
"5872"	329.087824	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M-2H"	-2.014552
"444339"	494.135374	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M-2H"	-2.014552
"824328"	164.040274	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-2H"	-2.014552
"88697"	659.182924	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M-H"	-1.007276
"529350"	989.278024	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M-H"	-1.007276
"909703"	329.087824	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-H"	-1.007276
"56060"	676.209471	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M-2H+NH4"	16.019271
"499273"	1006.304571	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M-2H+NH4"	16.019271
"865403"	346.114371	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-2H+NH4"	16.019271
"34029"	681.164866	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M-2H+Na"	20.974666
"486369"	1011.259966	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M-2H+Na"	20.974666
"859792"	351.069766	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-2H+Na"	20.974666
"1633832"	351.069766	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Na-2H"	20.974666
"107687"	347.076163	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M-H+Cl"	33.962126
"549597"	512.123713	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M-H+Cl"	33.962126
"941607"	182.028613	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-H+Cl"	33.962126
"280768"	695.159602	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+Cl"	34.969402
"675501"	1025.254702	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+Cl"	34.969402
"1280124"	365.064502	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Cl"	34.969402
"24868"	697.138806	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M-2H+K"	36.948606
"470875"	1027.233906	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M-2H+K"	36.948606
"847703"	367.043706	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-2H+K"	36.948606
"1569732"	367.043706	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+K-2H"	36.948606
"952508"	375.093294	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-H+HCOOH"	44.998194
"368539"	705.188401	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+HCOOH-H"	44.998201
"356797"	719.204051	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+Hac-H"	59.013851
"1502350"	389.108951	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Hac-H"	59.013851
"967706"	397.075251	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-H+NaCOOH"	66.980151
"117708"	365.064502	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+2Cl"	69.938804
"561276"	530.112052	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+2Cl"	69.938804
"1022415"	200.016952	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2Cl"	69.938804
"1243090"	409.013985	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Br"	78.918885
"1306264"	411.069972	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Cl+HCOOH"	80.974872
"1320119"	433.051929	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Cl+NaCOOH"	102.956829
"913375"	443.080686	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M-H+CF3COOH"	112.985586
"1290082"	479.057364	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Cl+CF3COOH"	148.962264
"1370431"	295.082424	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H-2H2O"	-35.012676
"1393397"	313.0924	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H-H2O"	-17.0027
"287616"	661.197476	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+H"	1.007276
"684410"	991.292576	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+H"	1.007276
"1356385"	331.102376	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H"	1.007276
"132553"	331.102376	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+2H"	2.014552
"577582"	496.149926	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+2H"	2.014552
"1047475"	166.054826	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2H"	2.014552
"216470"	221.070676	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+3H"	3.021828
"655667"	331.102376	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+3H"	3.021828
"1173062"	111.038976	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+3H"	3.021828
"436335"	678.224023	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+NH4"	18.033823
"799517"	1008.319123	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+NH4"	18.033823
"1694753"	348.128923	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+NH4"	18.033823
"344491"	339.6156495	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+H+NH4"	19.041099
"729988"	504.6631995	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+H+NH4"	19.041099
"1485996"	174.5680995	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H+NH4"	19.041099
"399206"	683.179418	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+Na"	22.989218
"761294"	1013.274518	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+Na"	22.989218
"1608299"	353.084318	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Na"	22.989218
"321623"	342.093347	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+H+Na"	23.996494
"719511"	507.140897	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+H+Na"	23.996494
"1473331"	177.045797	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H+Na"	23.996494
"1062203"	118.36629	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2H+Na"	25.00377
"1261693"	363.128586	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+CH3OH+H"	33.033486
"382454"	699.153358	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+K"	38.963158
"742359"	1029.248458	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+K"	38.963158
"1542587"	369.058258	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+K"	38.963158
"299762"	350.080317	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+H+K"	39.970434
"693275"	515.127867	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+H+K"	39.970434
"1446244"	185.032767	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H+K"	39.970434
"235938"	702.224026	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+ACN+H"	42.033826
"1210064"	372.128926	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+ACN+H"	42.033826
"1197400"	186.568101	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+ACN+2H"	43.041102
"190271"	705.16136	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+2Na-H"	44.97116
"629828"	1035.25646	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+2Na-H"	44.97116
"1138805"	375.06626	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2Na-H"	44.97116
"178816"	353.084318	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+2Na"	45.978436
"618016"	518.131868	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+2Na"	45.978436
"1118242"	188.036768	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2Na"	45.978436
"1406507"	125.693604	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H+2Na"	46.985712
"1434250"	377.107846	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H+HCOOH"	47.012746
"222849"	358.11734	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+3H2O+2H"	56.04448
"1516383"	391.15989	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+IsoProp+H"	61.06479
"414981"	361.071288	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+Na+K"	61.952376
"778164"	526.118838	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+Na+K"	61.952376
"1676681"	196.023738	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Na+K"	61.952376
"263200"	724.205968	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+ACN+Na"	64.015768
"1231534"	394.110868	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+ACN+Na"	64.015768
"1720420"	394.134393	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+NH4+HCOOH"	64.039293
"1184679"	133.020918	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+3Na"	68.967654
"1653478"	399.089788	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Na+HCOOH"	68.994688
"163620"	737.10924	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+2K-H"	76.91904
"605367"	1067.20434	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+2K-H"	76.91904
"1088785"	407.01414	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2K-H"	76.91904
"149976"	369.058258	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"2M+2K"	77.926316
"587349"	534.105808	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"3M+2K"	77.926316
"1071133"	204.010708	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2K"	77.926316
"1102887"	409.028692	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2K+H"	78.933592
"1340364"	409.116307	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+DMSO+H"	79.021207
"1012174"	413.155476	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2ACN+H"	83.060376
"1533579"	414.149108	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+IsoProp+Na+H"	84.054008
"992376"	207.081376	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+2ACN+2H"	84.067652
"1587724"	415.063728	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+K+HCOOH"	84.968628
"1427860"	445.095238	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+H+CF3COOH"	115.000138
"1161062"	227.594651	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+3ACN+2H"	125.094202
"1700042"	462.121785	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+NH4+CF3COOH"	132.026685
"1641160"	467.07718	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+Na+CF3COOH"	136.98208
"1573530"	483.05112	"C20470"	"1-O-Vanilloyl-beta-D-glucose"	"C14H18O9"	"330.0951"	"M+K+CF3COOH"	152.95602
"802197"	494.4488	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M"	0
"975608"	475.43041	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-H2O-H"	-19.01839
"64581"	328.625257333333	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M-3H"	-3.021828
"504143"	493.441524	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M-3H"	-3.021828
"889602"	163.808990666667	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-3H"	-3.021828
"10363"	493.441524	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M-2H"	-2.014552
"445549"	740.665924	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M-2H"	-2.014552
"827725"	246.217124	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-2H"	-2.014552
"81158"	987.890324	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M-H"	-1.007276
"519013"	1482.339124	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M-H"	-1.007276
"897185"	493.441524	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-H"	-1.007276
"62777"	1004.916871	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M-2H+NH4"	16.019271
"500976"	1499.365671	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M-2H+NH4"	16.019271
"879391"	510.468071	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-2H+NH4"	16.019271
"46777"	1009.872266	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M-2H+Na"	20.974666
"487004"	1504.321066	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M-2H+Na"	20.974666
"863800"	515.423466	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-2H+Na"	20.974666
"1633702"	515.423466	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Na-2H"	20.974666
"109503"	511.429863	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M-H+Cl"	33.962126
"549831"	758.654263	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M-H+Cl"	33.962126
"940141"	264.205463	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-H+Cl"	33.962126
"276510"	1023.867002	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+Cl"	34.969402
"675548"	1518.315802	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+Cl"	34.969402
"1288099"	529.418202	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Cl"	34.969402
"31222"	1025.846206	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M-2H+K"	36.948606
"465640"	1520.295006	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M-2H+K"	36.948606
"837975"	531.397406	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-2H+K"	36.948606
"1562555"	531.397406	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+K-2H"	36.948606
"947157"	539.446994	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-H+HCOOH"	44.998194
"369747"	1033.895801	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+HCOOH-H"	44.998201
"351443"	1047.911451	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+Hac-H"	59.013851
"1493954"	553.462651	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Hac-H"	59.013851
"959915"	561.428951	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-H+NaCOOH"	66.980151
"114542"	529.418202	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+2Cl"	69.938804
"565169"	776.642602	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+2Cl"	69.938804
"1035911"	282.193802	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2Cl"	69.938804
"1252328"	573.367685	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Br"	78.918885
"1316962"	575.423672	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Cl+HCOOH"	80.974872
"1327900"	597.405629	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Cl+NaCOOH"	102.956829
"916771"	607.434386	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M-H+CF3COOH"	112.985586
"1294572"	643.411064	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Cl+CF3COOH"	148.962264
"1377108"	459.436124	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H-2H2O"	-35.012676
"1392417"	477.4461	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H-H2O"	-17.0027
"287728"	989.904876	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+H"	1.007276
"679055"	1484.353676	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+H"	1.007276
"1360872"	495.456076	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H"	1.007276
"134854"	495.456076	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+2H"	2.014552
"574414"	742.680476	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+2H"	2.014552
"1047588"	248.231676	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2H"	2.014552
"218408"	330.639809333333	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+3H"	3.021828
"656145"	495.456076	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+3H"	3.021828
"1173177"	165.823542666667	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+3H"	3.021828
"437545"	1006.931423	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+NH4"	18.033823
"793072"	1501.380223	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+NH4"	18.033823
"1687215"	512.482623	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+NH4"	18.033823
"337680"	503.9693495	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+H+NH4"	19.041099
"732286"	751.1937495	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+H+NH4"	19.041099
"1481369"	256.7449495	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H+NH4"	19.041099
"401510"	1011.886818	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+Na"	22.989218
"758131"	1506.335618	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+Na"	22.989218
"1607324"	517.438018	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Na"	22.989218
"316267"	506.447047	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+H+Na"	23.996494
"709779"	753.671447	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+H+Na"	23.996494
"1462877"	259.222647	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H+Na"	23.996494
"1055389"	173.150856666667	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2H+Na"	25.00377
"1257796"	527.482286	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+CH3OH+H"	33.033486
"378194"	1027.860758	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+K"	38.963158
"741008"	1522.309558	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+K"	38.963158
"1543424"	533.411958	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+K"	38.963158
"299507"	514.434017	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+H+K"	39.970434
"697412"	761.658417	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+H+K"	39.970434
"1449045"	267.209617	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H+K"	39.970434
"236549"	1030.931426	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+ACN+H"	42.033826
"1210352"	536.482626	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+ACN+H"	42.033826
"1200801"	268.744951	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+ACN+2H"	43.041102
"192578"	1033.86876	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+2Na-H"	44.97116
"637612"	1528.31756	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+2Na-H"	44.97116
"1137838"	539.41996	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2Na-H"	44.97116
"183316"	517.438018	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+2Na"	45.978436
"627250"	764.662418	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+2Na"	45.978436
"1119455"	270.213618	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2Na"	45.978436
"1404440"	180.478170666667	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H+2Na"	46.985712
"1433275"	541.461546	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H+HCOOH"	47.012746
"222971"	522.47104	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+3H2O+2H"	56.04448
"1521969"	555.51359	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+IsoProp+H"	61.06479
"420562"	525.424988	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+Na+K"	61.952376
"775725"	772.649388	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+Na+K"	61.952376
"1672419"	278.200588	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Na+K"	61.952376
"258938"	1052.913368	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+ACN+Na"	64.015768
"1228003"	558.464568	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+ACN+Na"	64.015768
"1715066"	558.488093	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+NH4+HCOOH"	64.039293
"1180786"	187.805484666667	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+3Na"	68.967654
"1651039"	563.443488	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Na+HCOOH"	68.994688
"161186"	1065.81664	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+2K-H"	76.91904
"601841"	1560.26544	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+2K-H"	76.91904
"1084768"	571.36784	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2K-H"	76.91904
"142675"	533.411958	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"2M+2K"	77.926316
"582608"	780.636358	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"3M+2K"	77.926316
"1069180"	286.187558	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2K"	77.926316
"1107380"	573.382392	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2K+H"	78.933592
"1337326"	573.470007	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+DMSO+H"	79.021207
"1019960"	577.509176	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2ACN+H"	83.060376
"1538448"	578.502808	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+IsoProp+Na+H"	84.054008
"1004043"	289.258226	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+2ACN+2H"	84.067652
"1593564"	579.417428	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+K+HCOOH"	84.968628
"1422504"	609.448938	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+H+CF3COOH"	115.000138
"1154979"	309.771501	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+3ACN+2H"	125.094202
"1706717"	626.475485	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+NH4+CF3COOH"	132.026685
"1642367"	631.43088	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+Na+CF3COOH"	136.98208
"1573643"	647.40482	"C20475"	"Sporulenol;(1R2R4aS4bR6aS10aS10bR12aS)-24b7710a12a-Hexamethyl-1-(3R)-3-(4-methylcyclohexa-14-dien-1-yl)butyloctadecahydrochrysen-2-ol"	"C35H58O"	"494.4488"	"M+K+CF3COOH"	152.95602
"804010"	204.1878	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M"	0
"974665"	185.16941	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"63962"	135.117924	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"506439"	203.180524	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"881328"	67.055324	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"5003"	203.180524	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"444564"	305.274424	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"820180"	101.086624	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"81260"	407.368324	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"518535"	611.556124	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"896323"	203.180524	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61647"	424.394871	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"498047"	628.582671	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874757"	220.207071	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"38282"	429.350266	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"483311"	633.538066	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"862570"	225.162466	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1633563"	225.162466	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"109732"	221.168863	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"546733"	323.262763	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"938061"	119.074963	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"281721"	443.345002	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670132"	647.532802	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1286666"	239.157202	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"29464"	445.324206	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"465747"	649.512006	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"845736"	241.136406	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570321"	241.136406	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953827"	249.185994	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"367671"	453.373801	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"357021"	467.389451	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1493946"	263.201651	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"962459"	271.167951	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"111614"	239.157202	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"565030"	341.251102	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1028486"	137.063302	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251344"	283.106685	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1311605"	285.162672	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1328009"	307.144629	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"915786"	317.173386	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1291399"	353.150064	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1371021"	169.175124	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1389246"	187.1851	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"291118"	409.382876	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"683540"	613.570676	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1359888"	205.195076	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H"	1.007276
"130590"	205.195076	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"573431"	307.288976	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1045510"	103.101176	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218883"	137.132476	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"656255"	205.195076	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1173287"	69.069876	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"434375"	426.409423	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"795369"	630.597223	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1691700"	222.221623	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"342893"	213.7083495	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"732398"	315.8022495	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1482939"	111.6144495	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"396153"	431.364818	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758604"	635.552618	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1605247"	227.177018	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"316377"	216.186047	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"709523"	318.279947	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1462987"	114.092147	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1054770"	76.39719	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258634"	237.221286	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"379030"	447.338758	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740389"	651.526558	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1543536"	243.150958	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300713"	224.173017	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"694225"	326.266917	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1448426"	122.079117	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"237751"	450.409426	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210705"	246.221626	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1197995"	123.614451	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194875"	453.34676	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"632618"	657.53456	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1135030"	249.15896	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"175765"	227.177018	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"616053"	329.270918	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121387"	125.083118	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404547"	83.724504	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1434842"	251.200546	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"223444"	232.21004	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1512236"	265.25259	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"417392"	235.163988	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"775835"	337.257888	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1672165"	133.070088	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"259048"	472.391368	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230300"	268.203568	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1717728"	268.227093	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1187092"	91.051818	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1654068"	273.182488	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161296"	485.29464	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"601587"	689.48244	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1085242"	281.10684	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"144001"	243.150958	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582475"	345.244858	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1069658"	141.057058	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1107490"	283.121392	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337315"	283.209007	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021008"	287.248176	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539696"	288.241808	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004274"	144.127726	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1591487"	289.156428	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1419333"	319.187938	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1155089"	164.641001	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1705734"	336.214485	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1639197"	341.16988	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1571562"	357.14382	"C20476"	"Delta6-Protoilludene;(4aS7aS7bR)-3667b-Tetramethyl-244a5677a7b-octahydro-1H-cyclobuta12-eindene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"803027"	204.1878	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M"	0
"974735"	185.16941	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64801"	135.117924	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"506549"	203.180524	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"879957"	67.055324	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"2196"	203.180524	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"444674"	305.274424	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"819194"	101.086624	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"79912"	407.368324	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"518613"	611.556124	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"896064"	203.180524	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"58598"	424.394871	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"498157"	628.582671	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874867"	220.207071	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"36569"	429.350266	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"484149"	633.538066	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"861587"	225.162466	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1631846"	225.162466	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"107648"	221.168863	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"546842"	323.262763	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"940723"	119.074963	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"280372"	443.345002	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670242"	647.532802	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1285925"	239.157202	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"26294"	445.324206	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"466950"	649.512006	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"843660"	241.136406	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1566055"	241.136406	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953937"	249.185994	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"371060"	453.373801	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"354944"	467.389451	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1501588"	263.201651	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"962569"	271.167951	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"111603"	239.157202	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"556510"	341.251102	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1030783"	137.063302	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1251454"	283.106685	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1311715"	285.162672	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1328118"	307.144629	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920269"	317.173386	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1291510"	353.150064	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1368579"	169.175124	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1387168"	187.1851	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"289041"	409.382876	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"679276"	613.570676	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1356718"	205.195076	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H"	1.007276
"128514"	205.195076	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"570261"	307.288976	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1045620"	103.101176	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"217170"	137.132476	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"653085"	205.195076	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1170115"	69.069876	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"432299"	426.409423	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"790011"	630.597223	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1688530"	222.221623	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343368"	213.7083495	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729227"	315.8022495	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1481955"	111.6144495	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395169"	431.364818	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"758351"	635.552618	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1603291"	227.177018	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315029"	216.186047	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"707933"	318.279947	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1461677"	114.092147	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1054520"	76.39719	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1257045"	237.221286	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377357"	447.338758	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739770"	651.526558	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1541460"	243.150958	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299729"	224.173017	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"692270"	326.266917	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447078"	122.079117	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"235784"	450.409426	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210330"	246.221626	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1198105"	123.614451	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"192798"	453.34676	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"634550"	657.53456	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1138420"	249.15896	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173691"	227.177018	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"614705"	329.270918	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1121497"	125.083118	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404660"	83.724504	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435683"	251.200546	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"226471"	232.21004	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1512347"	265.25259	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"414223"	235.163988	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"774851"	337.257888	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1669724"	133.070088	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"258064"	472.391368	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1227493"	268.203568	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1714311"	268.227093	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179546"	91.051818	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652718"	273.182488	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161406"	485.29464	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"599144"	689.48244	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1084747"	281.10684	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"142167"	243.150958	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582464"	345.244858	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1068916"	141.057058	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1100547"	283.121392	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337546"	283.209007	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021116"	287.248176	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539770"	288.241808	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004384"	144.127726	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1590504"	289.156428	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1419443"	319.187938	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156292"	164.641001	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1706937"	336.214485	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1639307"	341.16988	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1571430"	357.14382	"C20477"	"(-)-alpha-Isocomene;(1R3aS5aS8aR)-13a45a-Tetramethyl-1233a5a678-octahydrocyclopentacpentalene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804229"	204.1878	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M"	0
"975573"	185.16941	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"64911"	135.117924	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"506659"	203.180524	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"880818"	67.055324	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"3035"	203.180524	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"443690"	305.274424	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"819668"	101.086624	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"80145"	407.368324	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"519094"	611.556124	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"896420"	203.180524	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62234"	424.394871	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"501062"	628.582671	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"874977"	220.207071	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"40689"	429.350266	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"484258"	633.538066	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"859144"	225.162466	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1631592"	225.162466	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"104110"	221.168863	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"544765"	323.262763	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"940346"	119.074963	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"280117"	443.345002	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"666340"	647.532802	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1282755"	239.157202	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"27498"	445.324206	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"463780"	649.512006	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"840488"	241.136406	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1558140"	241.136406	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"945297"	249.185994	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"365701"	453.373801	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"352869"	467.389451	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1496232"	263.201651	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"968146"	271.167951	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"112685"	239.157202	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"556620"	341.251102	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1031988"	137.063302	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1252659"	283.106685	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1315106"	285.162672	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1331511"	307.144629	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920382"	317.173386	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1289557"	353.150064	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1370877"	169.175124	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1387280"	187.1851	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"290245"	409.382876	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"678292"	613.570676	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360109"	205.195076	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H"	1.007276
"129717"	205.195076	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571464"	307.288976	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1041354"	103.101176	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"217280"	137.132476	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"658663"	205.195076	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1172411"	69.069876	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"430222"	426.409423	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"791215"	630.597223	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1693743"	222.221623	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"343479"	213.7083495	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"729701"	315.8022495	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1484252"	111.6144495	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"395278"	431.364818	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"756276"	635.552618	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1604372"	227.177018	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315629"	216.186047	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708048"	318.279947	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463206"	114.092147	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1054629"	76.39719	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1260682"	237.221286	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"377630"	447.338758	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"740609"	651.526558	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1544849"	243.150958	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K"	38.963158
"300082"	224.173017	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"693354"	326.266917	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1446458"	122.079117	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"236391"	450.409426	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210427"	246.221626	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1194967"	123.614451	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"191450"	453.34676	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"636845"	657.53456	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1139260"	249.15896	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"174164"	227.177018	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"615544"	329.270918	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1119419"	125.083118	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404770"	83.724504	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1435791"	251.200546	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"226581"	232.21004	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1512457"	265.25259	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"415424"	235.163988	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"772775"	337.257888	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1670927"	133.070088	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"258175"	472.391368	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1226873"	268.203568	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1713812"	268.227093	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1179652"	91.051818	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1650475"	273.182488	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"158600"	485.29464	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"598035"	689.48244	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1084858"	281.10684	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"141916"	243.150958	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"581716"	345.244858	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1069027"	141.057058	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1100292"	283.121392	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337656"	283.209007	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021145"	287.248176	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1539022"	288.241808	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1001578"	144.127726	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593894"	289.156428	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1419554"	319.187938	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156402"	164.641001	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1707047"	336.214485	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638324"	341.16988	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1571336"	357.14382	"C20478"	"(E)-2-epi-beta-Caryophyllene;2-epi-(E)-beta-Caryophyllene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804340"	222.1984	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M"	0
"981152"	203.18001	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"67209"	147.124990666667	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"511145"	221.191124	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"882387"	73.0588573333333	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"7518"	221.191124	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"447080"	332.290324	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"821601"	110.091924	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"82686"	443.389524	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"519087"	665.587924	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"900054"	221.191124	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"54443"	460.416071	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"498377"	682.614471	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"872900"	238.217671	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"40068"	465.371466	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"480358"	687.569866	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"859254"	243.173066	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1628786"	243.173066	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"105313"	239.179463	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"542689"	350.278663	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"939483"	128.080263	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"279134"	479.366202	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"666086"	701.564602	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1279582"	257.167802	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"27609"	481.345406	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"459515"	703.543806	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"836220"	259.147006	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1557886"	259.147006	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"945408"	267.196594	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"364718"	489.395001	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"351885"	503.410651	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1495248"	281.212251	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"964976"	289.178551	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"113888"	257.167802	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"552353"	368.267002	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1032098"	146.068602	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1251676"	301.117285	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1314123"	303.173272	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1331257"	325.155229	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"920492"	335.183986	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1290760"	371.160664	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1370987"	187.185724	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1387390"	205.1957	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"291448"	445.404076	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"679495"	667.602476	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1360219"	223.205676	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"129827"	223.205676	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"571574"	334.304876	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1042557"	112.106476	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"217025"	149.139542666667	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"657680"	223.205676	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1175074"	75.0734093333333	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"433610"	462.430623	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"791324"	684.629023	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1689843"	240.232223	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"341401"	231.7189495	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"733820"	342.8181495	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1484362"	120.6197495	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"400858"	467.386018	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"762946"	689.584418	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1604485"	245.187618	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"314481"	234.196647	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"709131"	345.295847	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1462949"	123.097447	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1056198"	82.4007233333333	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1260064"	255.231886	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"378149"	483.359958	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"739097"	705.558358	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1540950"	261.161558	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"301042"	242.183617	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"693827"	353.282817	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1449484"	131.084417	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"236744"	486.430626	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1210540"	264.232226	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1195889"	132.619751	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"191560"	489.36796	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"635862"	711.56636	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1139370"	267.16956	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"175002"	245.187618	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"616385"	356.286818	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1119893"	134.088418	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1401960"	89.7280373333333	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1434808"	269.211146	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"226691"	250.22064	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1518034"	283.26319	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"420273"	253.174588	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"776531"	364.273788	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1672861"	142.075388	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"260108"	508.412568	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1226985"	286.214168	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1716599"	286.237693	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1183046"	97.0553513333333	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1652209"	291.193088	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"158710"	521.31584	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"598024"	743.51424	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1086065"	299.11744	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"142390"	261.161558	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"583040"	372.260758	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1069009"	150.062358	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1100196"	301.131992	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1337766"	301.219607	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1020646"	305.258776	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1539375"	306.252408	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1000595"	153.133026	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1594003"	307.167028	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1418570"	337.198538	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1153232"	173.646301	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1707157"	354.225085	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1638434"	359.18048	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1571486"	375.15442	"C20479"	"()-epi-alpha-Bisabolol;(2S)-6-Methyl-2-(1R)-4-methylcyclohex-3-en-1-ylhept-5-en-2-ol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"803721"	204.1878	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M"	0
"976889"	185.16941	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66590"	135.117924	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"511255"	203.180524	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"882132"	67.055324	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"3256"	203.180524	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"446097"	305.274424	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"820618"	101.086624	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"82797"	407.368324	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"518553"	611.556124	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"900164"	203.180524	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"61112"	424.394871	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502014"	628.582671	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"875195"	220.207071	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"39814"	429.350266	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"480468"	633.538066	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"859364"	225.162466	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1625616"	225.162466	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"107246"	221.168863	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"542799"	323.262763	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"938500"	119.074963	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"278151"	443.345002	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"669476"	647.532802	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1279692"	239.157202	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"27719"	445.324206	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"460718"	649.512006	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"836330"	241.136406	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1558361"	241.136406	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"945518"	249.185994	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"363002"	453.373801	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"359650"	467.389451	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1495359"	263.201651	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965086"	271.167951	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"115091"	239.157202	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"550760"	341.251102	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032208"	137.063302	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1250692"	283.106685	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1314233"	285.162672	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1334283"	307.144629	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921696"	317.173386	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1294029"	353.150064	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1374377"	169.175124	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1390780"	187.1851	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"294838"	409.382876	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"688352"	613.570676	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360329"	205.195076	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H"	1.007276
"131030"	205.195076	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"571684"	307.288976	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1045948"	103.101176	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"217135"	137.132476	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"658156"	205.195076	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1174818"	69.069876	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"435544"	426.409423	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"796174"	630.597223	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1687766"	222.221623	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"340417"	213.7083495	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"730650"	315.8022495	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1485565"	111.6144495	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"402062"	431.364818	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"765243"	635.552618	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1606782"	227.177018	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315362"	216.186047	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708270"	318.279947	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1463422"	114.092147	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1056310"	76.39719	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1260538"	237.221286	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"382027"	447.338758	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"738882"	651.526558	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1540818"	243.150958	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+K"	38.963158
"301151"	224.173017	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"691871"	326.266917	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1445970"	122.079117	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"236734"	450.409426	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210411"	246.221626	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1196971"	123.614451	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"192397"	453.34676	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"637065"	657.53456	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1140572"	249.15896	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"175841"	227.177018	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"616859"	329.270918	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1118909"	125.083118	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1406081"	83.724504	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1434914"	251.200546	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230081"	232.21004	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1519237"	265.25259	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"421111"	235.163988	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"779920"	337.257888	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1679530"	133.070088	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"263861"	472.391368	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1227823"	268.203568	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1717073"	268.227093	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1183884"	91.051818	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1652439"	273.182488	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"158820"	485.29464	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"599106"	689.48244	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1085446"	281.10684	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"142259"	243.150958	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582177"	345.244858	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1069975"	141.057058	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1100391"	283.121392	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1337147"	283.209007	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1020393"	287.248176	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1538634"	288.241808	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1000705"	144.127726	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1597392"	289.156428	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1418680"	319.187938	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1153342"	164.641001	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1706174"	336.214485	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1638544"	341.16988	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1573100"	357.14382	"C20480"	"Valerena-47(11)-diene;(4S7R7aR)-37-Dimethyl-4-(2-methylprop-1-en-1-yl)-245677a-hexahydro-1H-indene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"803467"	290.261	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M"	0
"980279"	271.24261	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"69616"	192.500057333333	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"514645"	289.253724	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"883700"	95.7463906666667	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"5553"	289.253724	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"445115"	434.384224	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"824009"	144.123224	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"86187"	579.514724	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"519183"	869.775724	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"900274"	289.253724	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"50283"	596.541271	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"499688"	886.802271	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"877128"	306.280271	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"42111"	601.496666	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"482765"	891.757666	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"859474"	311.235666	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1629007"	311.235666	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"107720"	307.242063	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"542910"	452.372563	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"939703"	162.111563	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"278261"	615.491402	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"667400"	905.752402	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1279802"	325.230402	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"21263"	617.470606	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"463015"	907.731606	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"836443"	327.209606	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1561024"	327.209606	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"948908"	335.259194	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"363113"	625.520201	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"360853"	639.535851	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1505310"	349.274851	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"969570"	357.241151	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"111920"	325.230402	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"553667"	470.360902	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1034503"	180.099902	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1252989"	369.179885	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1316167"	371.235872	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1332937"	393.217829	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"923992"	403.246586	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1299606"	439.223264	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1375580"	255.248324	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1395629"	273.2583	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"294948"	581.529276	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"688462"	871.790276	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1360439"	291.268276	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"133328"	291.268276	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"572887"	436.398776	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1042778"	146.137776	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"213963"	194.514609333333	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"655710"	291.268276	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1174928"	97.7609426666667	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"436748"	598.555823	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"798471"	888.816823	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1694074"	308.294823	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"338341"	299.7815495	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"730762"	444.9120495	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1482396"	154.6510495	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"399985"	603.511218	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"763166"	893.772218	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1605799"	313.250218	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"314744"	302.259247	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"708260"	447.389747	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1462321"	157.128747	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1056420"	105.088256666667	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1259190"	323.294486	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"378978"	619.485158	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"740216"	909.746158	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1540160"	329.224158	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"298673"	310.246217	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"691940"	455.376717	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1445626"	165.115717	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"237940"	622.555826	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1213199"	332.294826	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1196717"	166.651051	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"192508"	625.49316	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"637175"	915.75416	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1142870"	335.23216	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"176681"	313.250218	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"617334"	458.380718	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1123757"	168.119718	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1404004"	112.415570666667	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1434296"	337.273746	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"223994"	318.28324	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1517160"	351.32579	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"423043"	321.237188	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"778936"	466.367688	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1675266"	176.106688	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"261784"	644.537768	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1228661"	354.276768	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1714631"	354.300293	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1184360"	119.742884666667	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1656440"	359.255688	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"157833"	657.44104	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"597881"	947.70204	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1085065"	367.18004	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"142004"	329.224158	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"581924"	474.354658	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1068663"	184.093658	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1099972"	369.194592	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1336159"	369.282207	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1020745"	373.321376	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1538014"	374.315008	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"1001908"	187.164326	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1595315"	375.229628	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1417694"	405.261138	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1153452"	207.677601	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1700816"	422.287685	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1638654"	427.24308	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1573210"	443.21702	"C20481"	"cis-Abienol;(12Z)-Labda-1214-dien-8alpha-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"806857"	683.1353	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M"	0
"977109"	664.11691	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-H2O-H"	-19.01839
"73006"	454.416257333333	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M-3H"	-3.021828
"512568"	682.128024	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M-3H"	-3.021828
"882717"	226.704490666667	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-3H"	-3.021828
"6756"	682.128024	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M-2H"	-2.014552
"446318"	1023.695674	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M-2H"	-2.014552
"828494"	340.560374	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-2H"	-2.014552
"85204"	1365.263324	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M-H"	-1.007276
"518636"	2048.398624	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M-H"	-1.007276
"899655"	682.128024	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-H"	-1.007276
"50752"	1382.289871	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M-2H+NH4"	16.019271
"498704"	2065.425171	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M-2H+NH4"	16.019271
"876874"	699.154571	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-2H+NH4"	16.019271
"40034"	1387.245266	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M-2H+Na"	20.974666
"480688"	2070.380566	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M-2H+Na"	20.974666
"858490"	704.109966	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-2H+Na"	20.974666
"1629846"	704.109966	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Na-2H"	20.974666
"105644"	700.116363	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M-H+Cl"	33.962126
"541926"	1041.684013	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M-H+Cl"	33.962126
"938720"	358.548713	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-H+Cl"	33.962126
"278371"	1401.240002	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+Cl"	34.969402
"667510"	2084.375302	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+Cl"	34.969402
"1281005"	718.104702	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Cl"	34.969402
"18092"	1403.219206	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M-2H+K"	36.948606
"458745"	2086.354506	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M-2H+K"	36.948606
"837646"	720.083906	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-2H+K"	36.948606
"1561134"	720.083906	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+K-2H"	36.948606
"947925"	728.133494	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-H+HCOOH"	44.998194
"366140"	1411.268801	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+HCOOH-H"	44.998201
"352210"	1425.284451	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+Hac-H"	59.013851
"1502140"	742.149151	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Hac-H"	59.013851
"963119"	750.115451	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-H+NaCOOH"	66.980151
"110813"	718.104702	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+2Cl"	69.938804
"553778"	1059.672352	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+2Cl"	69.938804
"1025862"	376.537052	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2Cl"	69.938804
"1256625"	762.054185	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Br"	78.918885
"1314454"	764.110172	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Cl+HCOOH"	80.974872
"1328669"	786.092129	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Cl+NaCOOH"	102.956829
"923008"	796.120886	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M-H+CF3COOH"	112.985586
"1299716"	832.097564	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Cl+CF3COOH"	148.962264
"1375690"	648.122624	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H-2H2O"	-35.012676
"1396103"	666.1326	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H-H2O"	-17.0027
"291778"	1367.277876	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+H"	1.007276
"685292"	2050.413176	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+H"	1.007276
"1360549"	684.142576	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H"	1.007276
"133438"	684.142576	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+2H"	2.014552
"570811"	1025.710226	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+2H"	2.014552
"1042887"	342.574926	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2H"	2.014552
"214073"	456.430809333333	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+3H"	3.021828
"654727"	684.142576	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+3H"	3.021828
"1176619"	228.719042666667	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+3H"	3.021828
"437223"	1384.304423	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+NH4"	18.033823
"796028"	2067.439723	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+NH4"	18.033823
"1687987"	701.169123	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+NH4"	18.033823
"338451"	692.6558495	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+H+NH4"	19.041099
"730872"	1034.2234995	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+H+NH4"	19.041099
"1485786"	351.0881995	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H+NH4"	19.041099
"400095"	1389.259818	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+Na"	22.989218
"763276"	2072.395118	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+Na"	22.989218
"1611376"	706.124518	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Na"	22.989218
"314275"	695.133547	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+H+Na"	23.996494
"707397"	1036.701197	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+H+Na"	23.996494
"1464376"	353.565897	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H+Na"	23.996494
"1054340"	236.046356666667	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2H+Na"	25.00377
"1258204"	716.168786	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+CH3OH+H"	33.033486
"377874"	1405.233758	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+K"	38.963158
"741056"	2088.369058	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+K"	38.963158
"1541282"	722.098458	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+K"	38.963158
"299914"	703.120517	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+H+K"	39.970434
"692700"	1044.688167	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+H+K"	39.970434
"1447977"	361.552867	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H+K"	39.970434
"243882"	1408.304426	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+ACN+H"	42.033826
"1212578"	725.169126	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+ACN+H"	42.033826
"1198649"	363.088201	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+ACN+2H"	43.041102
"190796"	1411.24176	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+2Na-H"	44.97116
"634005"	2094.37706	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+2Na-H"	44.97116
"1135322"	728.10646	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2Na-H"	44.97116
"176425"	706.124518	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+2Na"	45.978436
"621453"	1047.692168	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+2Na"	45.978436
"1120951"	364.556868	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2Na"	45.978436
"1400466"	243.373670666667	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H+2Na"	46.985712
"1431243"	730.148046	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H+HCOOH"	47.012746
"229206"	711.15754	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+3H2O+2H"	56.04448
"1517269"	744.20009	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+IsoProp+H"	61.06479
"416955"	714.111488	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+Na+K"	61.952376
"777953"	1055.679138	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+Na+K"	61.952376
"1675376"	372.543838	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Na+K"	61.952376
"260801"	1430.286368	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+ACN+Na"	64.015768
"1233510"	747.151068	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+ACN+Na"	64.015768
"1721303"	747.174593	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+NH4+HCOOH"	64.039293
"1184468"	250.700984666667	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+3Na"	68.967654
"1651810"	752.129988	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Na+HCOOH"	68.994688
"159038"	1443.18964	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+2K-H"	76.91904
"597991"	2126.32494	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+2K-H"	76.91904
"1085053"	760.05434	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2K-H"	76.91904
"141994"	722.098458	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"2M+2K"	77.926316
"581580"	1063.666108	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"3M+2K"	77.926316
"1068686"	380.530808	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2K"	77.926316
"1099975"	762.068892	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2K+H"	78.933592
"1335671"	762.156507	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+DMSO+H"	79.021207
"1020896"	766.195676	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2ACN+H"	83.060376
"1538488"	767.189308	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+IsoProp+Na+H"	84.054008
"1003111"	383.601476	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+2ACN+2H"	84.067652
"1595425"	768.103928	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+K+HCOOH"	84.968628
"1417075"	798.135438	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+H+CF3COOH"	115.000138
"1153562"	404.114751	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+3ACN+2H"	125.094202
"1700926"	815.161985	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+NH4+CF3COOH"	132.026685
"1638764"	820.11738	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+Na+CF3COOH"	136.98208
"1573320"	836.09132	"C20482"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide;(R)-NADH-hydrate;(R)-NADHX"	"C21H31N7O15P2"	"683.1353"	"M+K+CF3COOH"	152.95602
"816657"	763.1017	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M"	0
"985969"	744.08331	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-H2O-H"	-19.01839
"72024"	507.727190666667	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M-3H"	-3.021828
"517055"	762.094424	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M-3H"	-3.021828
"890481"	253.359957333333	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-3H"	-3.021828
"7962"	762.094424	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M-2H"	-2.014552
"447523"	1143.645274	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M-2H"	-2.014552
"827511"	380.543574	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-2H"	-2.014552
"84221"	1525.196124	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M-H"	-1.007276
"519285"	2288.297824	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M-H"	-1.007276
"900496"	762.094424	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-H"	-1.007276
"53049"	1542.222671	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M-2H+NH4"	16.019271
"499911"	2305.324371	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M-2H+NH4"	16.019271
"878810"	779.120971	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-2H+NH4"	16.019271
"39784"	1547.178066	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M-2H+Na"	20.974666
"483354"	2310.279766	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M-2H+Na"	20.974666
"860061"	784.076366	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-2H+Na"	20.974666
"1629593"	784.076366	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Na-2H"	20.974666
"105394"	780.082763	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M-H+Cl"	33.962126
"547507"	1161.633613	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M-H+Cl"	33.962126
"940902"	398.531913	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-H+Cl"	33.962126
"278481"	1561.172802	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+Cl"	34.969402
"673822"	2324.274502	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+Cl"	34.969402
"1283303"	798.071102	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Cl"	34.969402
"24765"	1563.152006	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M-2H+K"	36.948606
"459223"	2326.253706	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M-2H+K"	36.948606
"845411"	800.050306	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-2H+K"	36.948606
"1566712"	800.050306	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+K-2H"	36.948606
"951315"	808.099894	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-H+HCOOH"	44.998194
"371717"	1571.201601	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+HCOOH-H"	44.998201
"360589"	1585.217251	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+Hac-H"	59.013851
"1506990"	822.115551	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Hac-H"	59.013851
"967604"	830.081851	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-H+NaCOOH"	66.980151
"114324"	798.071102	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+2Cl"	69.938804
"556075"	1179.621952	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+2Cl"	69.938804
"1025972"	416.520252	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2Cl"	69.938804
"1257036"	842.020585	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Br"	78.918885
"1316387"	844.076572	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Cl+HCOOH"	80.974872
"1331696"	866.058529	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Cl+NaCOOH"	102.956829
"924211"	876.087286	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M-H+CF3COOH"	112.985586
"1299827"	912.063964	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Cl+CF3COOH"	148.962264
"1375800"	728.089024	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H-2H2O"	-35.012676
"1397306"	746.099	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H-H2O"	-17.0027
"291888"	1527.210676	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+H"	1.007276
"682123"	2290.312376	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+H"	1.007276
"1361753"	764.108976	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H"	1.007276
"136829"	764.108976	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+2H"	2.014552
"577482"	1145.659826	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+2H"	2.014552
"1045185"	382.558126	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2H"	2.014552
"218926"	509.741742666667	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+3H"	3.021828
"658485"	764.108976	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+3H"	3.021828
"1177582"	255.374509333333	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+3H"	3.021828
"438064"	1544.237223	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+NH4"	18.033823
"800031"	2307.338923	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+NH4"	18.033823
"1695389"	781.135523	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+NH4"	18.033823
"341843"	772.6222495	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+H+NH4"	19.041099
"736450"	1154.1730995	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+H+NH4"	19.041099
"1483710"	391.0713995	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H+NH4"	19.041099
"403486"	1549.192618	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+Na"	22.989218
"766668"	2312.294318	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+Na"	22.989218
"1613674"	786.090918	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Na"	22.989218
"314719"	775.099947	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+H+Na"	23.996494
"708480"	1156.650797	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+H+Na"	23.996494
"1464487"	393.549097	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H+Na"	23.996494
"1054572"	262.701823333333	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2H+Na"	25.00377
"1262687"	796.135186	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+CH3OH+H"	33.033486
"379442"	1565.166558	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+K"	38.963158
"740802"	2328.268258	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+K"	38.963158
"1542486"	802.064858	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+K"	38.963158
"299665"	783.086917	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+H+K"	39.970434
"693542"	1164.637767	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+H+K"	39.970434
"1447725"	401.536067	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H+K"	39.970434
"235960"	1568.237226	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+ACN+H"	42.033826
"1211960"	805.135526	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+ACN+H"	42.033826
"1195844"	403.071401	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+ACN+2H"	43.041102
"191271"	1571.17456	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+2Na-H"	44.97116
"636303"	2334.27626	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+2Na-H"	44.97116
"1138715"	808.07286	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2Na-H"	44.97116
"177631"	786.090918	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+2Na"	45.978436
"616094"	1167.641768	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+2Na"	45.978436
"1118145"	404.540068	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2Na"	45.978436
"1406411"	270.029137333333	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H+2Na"	46.985712
"1437434"	810.114446	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H+HCOOH"	47.012746
"226036"	791.12394	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+3H2O+2H"	56.04448
"1517380"	824.16649	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+IsoProp+H"	61.06479
"418159"	794.077888	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+Na+K"	61.952376
"781344"	1175.628738	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+Na+K"	61.952376
"1679132"	412.527038	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Na+K"	61.952376
"264192"	1590.219168	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+ACN+Na"	64.015768
"1239088"	827.117468	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+ACN+Na"	64.015768
"1723600"	827.140993	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+NH4+HCOOH"	64.039293
"1186766"	277.356451333333	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+3Na"	68.967654
"1655202"	832.096388	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Na+HCOOH"	68.994688
"159877"	1603.12244	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+2K-H"	76.91904
"604180"	2366.22414	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+2K-H"	76.91904
"1088692"	840.02074	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2K-H"	76.91904
"142590"	802.064858	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"2M+2K"	77.926316
"581382"	1183.615708	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"3M+2K"	77.926316
"1069330"	420.514008	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2K"	77.926316
"1102790"	842.035292	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2K+H"	78.933592
"1346834"	842.122907	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+DMSO+H"	79.021207
"1020803"	846.162076	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2ACN+H"	83.060376
"1538968"	847.155708	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+IsoProp+Na+H"	84.054008
"1005289"	423.584676	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+2ACN+2H"	84.067652
"1598819"	848.070328	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+K+HCOOH"	84.968628
"1423383"	878.101838	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+H+CF3COOH"	115.000138
"1153672"	444.097951	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+3ACN+2H"	125.094202
"1710880"	895.128385	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+NH4+CF3COOH"	132.026685
"1642155"	900.08378	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+Na+CF3COOH"	136.98208
"1583273"	916.05772	"C20483"	"(6R)-6beta-Hydroxy-1456-tetrahydronicotinamide-adenine dinucleotide phosphate;(R)-NADPH-hydrate;(R)-NADPHX"	"C21H32N7O18P3"	"763.1017"	"M+K+CF3COOH"	152.95602
"809266"	536.4382	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M"	0
"977331"	517.41981	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-H2O-H"	-19.01839
"71042"	356.618190666667	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M-3H"	-3.021828
"510605"	535.430924	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M-3H"	-3.021828
"884032"	177.805457333333	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-3H"	-3.021828
"2606"	535.430924	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H"	-2.014552
"441802"	803.650024	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H"	-2.014552
"822154"	267.211824	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-2H"	-2.014552
"83238"	1071.869124	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M-H"	-1.007276
"518781"	1608.307324	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M-H"	-1.007276
"901699"	535.430924	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-H"	-1.007276
"52066"	1088.895671	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H+NH4"	16.019271
"500021"	1625.333871	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H+NH4"	16.019271
"878437"	552.457471	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-2H+NH4"	16.019271
"42081"	1093.851066	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H+Na"	20.974666
"483100"	1630.289266	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H+Na"	20.974666
"860900"	557.412866	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-2H+Na"	20.974666
"1630796"	557.412866	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Na-2H"	20.974666
"106599"	553.419263	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M-H+Cl"	33.962126
"548225"	821.638363	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M-H+Cl"	33.962126
"940284"	285.200163	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-H+Cl"	33.962126
"280778"	1107.845802	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+Cl"	34.969402
"674296"	1644.284002	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+Cl"	34.969402
"1283413"	571.407602	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl"	34.969402
"23782"	1109.825006	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M-2H+K"	36.948606
"458969"	1646.263206	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M-2H+K"	36.948606
"840053"	573.386806	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-2H+K"	36.948606
"1562446"	573.386806	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+K-2H"	36.948606
"943159"	581.436394	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-H+HCOOH"	44.998194
"370735"	1117.874601	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+HCOOH-H"	44.998201
"358631"	1131.890251	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+Hac-H"	59.013851
"1501268"	595.452051	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Hac-H"	59.013851
"964433"	603.418351	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-H+NaCOOH"	66.980151
"115527"	571.407602	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+2Cl"	69.938804
"552905"	839.626702	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+2Cl"	69.938804
"1028268"	303.188502	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2Cl"	69.938804
"1256481"	615.357085	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Br"	78.918885
"1316497"	617.413072	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl+HCOOH"	80.974872
"1329983"	639.395029	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl+NaCOOH"	102.956829
"922134"	649.423786	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M-H+CF3COOH"	112.985586
"1303465"	685.400464	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Cl+CF3COOH"	148.962264
"1381377"	501.425524	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H-2H2O"	-35.012676
"1396688"	519.4355	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H-H2O"	-17.0027
"294186"	1073.883676	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+H"	1.007276
"684420"	1610.321876	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+H"	1.007276
"1359677"	537.445476	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H"	1.007276
"133658"	537.445476	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+2H"	2.014552
"573217"	805.664576	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+2H"	2.014552
"1044201"	269.226376	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2H"	2.014552
"217574"	358.632742666667	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+3H"	3.021828
"658106"	537.445476	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+3H"	3.021828
"1176351"	179.820009333333	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+3H"	3.021828
"439025"	1090.910223	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+NH4"	18.033823
"798439"	1627.348423	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+NH4"	18.033823
"1691489"	554.472023	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+NH4"	18.033823
"344507"	545.9587495	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+H+NH4"	19.041099
"737654"	814.1778495	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+H+NH4"	19.041099
"1482726"	277.7396495	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H+NH4"	19.041099
"406149"	1095.865618	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+Na"	22.989218
"768236"	1632.303818	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+Na"	22.989218
"1612691"	559.427418	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Na"	22.989218
"316171"	548.436447	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+H+Na"	23.996494
"709076"	816.655547	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+H+Na"	23.996494
"1462532"	280.217347	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H+Na"	23.996494
"1053834"	187.147323333333	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2H+Na"	25.00377
"1263890"	569.471686	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+CH3OH+H"	33.033486
"380280"	1111.839558	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+K"	38.963158
"740912"	1648.277758	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+K"	38.963158
"1543326"	575.401358	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+K"	38.963158
"300138"	556.423417	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+H+K"	39.970434
"696203"	824.642517	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+H+K"	39.970434
"1447835"	288.204317	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H+K"	39.970434
"236807"	1114.910226	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+ACN+H"	42.033826
"1211706"	578.472026	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+ACN+H"	42.033826
"1196320"	289.739651	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+ACN+2H"	43.041102
"192839"	1117.84756	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+2Na-H"	44.97116
"632031"	1654.28576	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+2Na-H"	44.97116
"1138825"	581.40936	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2Na-H"	44.97116
"177741"	559.427418	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+2Na"	45.978436
"616933"	827.646518	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+2Na"	45.978436
"1117887"	291.208318	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2Na"	45.978436
"1402511"	194.474637333333	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H+2Na"	46.985712
"1435356"	583.450946	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H+HCOOH"	47.012746
"226145"	564.46044	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+3H2O+2H"	56.04448
"1517490"	597.50299	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+H"	61.06479
"418269"	567.414388	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+Na+K"	61.952376
"782547"	835.633488	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+Na+K"	61.952376
"1678877"	299.195288	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Na+K"	61.952376
"263208"	1136.892168	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+ACN+Na"	64.015768
"1238104"	600.453968	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+ACN+Na"	64.015768
"1721522"	600.477493	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+NH4+HCOOH"	64.039293
"1181771"	201.801951333333	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+3Na"	68.967654
"1654583"	605.432888	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Na+HCOOH"	68.994688
"160354"	1149.79544	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+2K-H"	76.91904
"599917"	1686.23364	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+2K-H"	76.91904
"1085156"	613.35724	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2K-H"	76.91904
"141480"	575.401358	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"2M+2K"	77.926316
"585175"	843.620458	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"3M+2K"	77.926316
"1068498"	307.182258	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2K"	77.926316
"1103994"	615.371792	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2K+H"	78.933592
"1346944"	615.459407	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+DMSO+H"	79.021207
"1020914"	619.498576	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2ACN+H"	83.060376
"1539675"	620.492208	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+IsoProp+Na+H"	84.054008
"1004792"	310.252926	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+2ACN+2H"	84.067652
"1598928"	621.406828	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+K+HCOOH"	84.968628
"1423493"	651.438338	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+H+CF3COOH"	115.000138
"1153782"	330.766201	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+3ACN+2H"	125.094202
"1708803"	668.464885	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+NH4+CF3COOH"	132.026685
"1642265"	673.42028	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+Na+CF3COOH"	136.98208
"1583383"	689.39422	"C20484"	"9-cis-beta-Carotene"	"C40H56"	"536.4382"	"M+K+CF3COOH"	152.95602
"813750"	162.0164	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M"	0
"982909"	142.99801	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H2O-H"	-19.01839
"74432"	107.003657333333	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-3H"	-3.021828
"511808"	161.009124	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-3H"	-3.021828
"881955"	52.9981906666667	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-3H"	-3.021828
"8182"	161.009124	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H"	-2.014552
"443368"	242.017324	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H"	-2.014552
"822264"	80.000924	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H"	-2.014552
"83348"	323.025524	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-H"	-1.007276
"518892"	485.041924	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-H"	-1.007276
"898527"	161.009124	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H"	-1.007276
"52910"	340.052071	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H+NH4"	16.019271
"502648"	502.068471	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H+NH4"	16.019271
"879272"	178.035671	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H+NH4"	16.019271
"46526"	345.007466	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H+Na"	20.974666
"482844"	507.023866	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H+Na"	20.974666
"862714"	182.991066	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H+Na"	20.974666
"1632365"	182.991066	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na-2H"	20.974666
"108530"	178.997463	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-H+Cl"	33.962126
"549393"	260.005663	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-H+Cl"	33.962126
"941731"	97.989263	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+Cl"	33.962126
"282230"	359.002202	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Cl"	34.969402
"674287"	521.018602	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+Cl"	34.969402
"1287858"	196.985802	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl"	34.969402
"24986"	360.981406	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M-2H+K"	36.948606
"459079"	522.997806	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M-2H+K"	36.948606
"843444"	198.965006	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-2H+K"	36.948606
"1566933"	198.965006	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K-2H"	36.948606
"948253"	207.014594	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+HCOOH"	44.998194
"373031"	369.031001	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+HCOOH-H"	44.998201
"360809"	383.046651	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Hac-H"	59.013851
"1507454"	221.030251	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Hac-H"	59.013851
"966731"	228.996551	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+NaCOOH"	66.980151
"115642"	196.985802	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2Cl"	69.938804
"558484"	277.994002	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2Cl"	69.938804
"1036038"	115.977602	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2Cl"	69.938804
"1255622"	240.935285	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Br"	78.918885
"1318796"	242.991272	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl+HCOOH"	80.974872
"1334105"	264.973229	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl+NaCOOH"	102.956829
"925527"	275.001986	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M-H+CF3COOH"	112.985586
"1304157"	310.978664	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Cl+CF3COOH"	148.962264
"1382717"	127.003724	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H-2H2O"	-35.012676
"1398020"	145.0137	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H-H2O"	-17.0027
"298524"	325.040076	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H"	1.007276
"690001"	487.056476	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H"	1.007276
"1363067"	163.023676	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H"	1.007276
"137050"	163.023676	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2H"	2.014552
"574423"	244.031876	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2H"	2.014552
"1045408"	82.015476	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2H"	2.014552
"218781"	109.018209333333	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+3H"	3.021828
"659077"	163.023676	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+3H"	3.021828
"1177803"	55.0127426666667	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+3H"	3.021828
"439138"	342.066623	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+NH4"	18.033823
"799279"	504.083023	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+NH4"	18.033823
"1695609"	180.050223	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+NH4"	18.033823
"344618"	171.5369495	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H+NH4"	19.041099
"735944"	252.5451495	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H+NH4"	19.041099
"1490129"	90.5287495	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+NH4"	19.041099
"408334"	347.022018	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Na"	22.989218
"766890"	509.038418	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+Na"	22.989218
"1610616"	185.005618	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na"	22.989218
"316281"	174.014647	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H+Na"	23.996494
"710885"	255.022847	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H+Na"	23.996494
"1462763"	93.006447	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+Na"	23.996494
"1056860"	62.3400566666667	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2H+Na"	25.00377
"1258899"	195.049886	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+CH3OH+H"	33.033486
"378201"	362.995958	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+K"	38.963158
"739077"	525.012358	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+K"	38.963158
"1540763"	200.979558	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K"	38.963158
"299276"	182.001617	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+H+K"	39.970434
"694127"	263.009817	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+H+K"	39.970434
"1446489"	100.993417	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+K"	39.970434
"236551"	366.066626	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+ACN+H"	42.033826
"1211451"	204.050226	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+ACN+H"	42.033826
"1195580"	102.528751	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+ACN+2H"	43.041102
"190398"	369.00396	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2Na-H"	44.97116
"632147"	531.02036	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2Na-H"	44.97116
"1137841"	206.98756	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2Na-H"	44.97116
"178214"	185.005618	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2Na"	45.978436
"621783"	266.013818	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2Na"	45.978436
"1120914"	103.997418	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2Na"	45.978436
"1404443"	69.6673706666667	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+2Na"	46.985712
"1438746"	209.029146	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+HCOOH"	47.012746
"227348"	190.03864	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+3H2O+2H"	56.04448
"1517600"	223.08119	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+IsoProp+H"	61.06479
"416192"	192.992588	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+Na+K"	61.952376
"780470"	274.000788	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+Na+K"	61.952376
"1680080"	111.984388	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na+K"	61.952376
"264777"	388.048568	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+ACN+Na"	64.015768
"1237121"	226.032168	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+ACN+Na"	64.015768
"1721632"	226.055693	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+NH4+HCOOH"	64.039293
"1182610"	76.9946846666667	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+3Na"	68.967654
"1655787"	231.011088	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na+HCOOH"	68.994688
"161558"	400.95184	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2K-H"	76.91904
"604400"	562.96824	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2K-H"	76.91904
"1085630"	238.93544	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2K-H"	76.91904
"144633"	200.979558	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"2M+2K"	77.926316
"582123"	281.987758	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"3M+2K"	77.926316
"1069058"	119.971358	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2K"	77.926316
"1101066"	240.949992	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2K+H"	78.933592
"1347054"	241.037607	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+DMSO+H"	79.021207
"1020452"	245.076776	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2ACN+H"	83.060376
"1538091"	246.070408	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+IsoProp+Na+H"	84.054008
"1005393"	123.042026	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+2ACN+2H"	84.067652
"1600133"	246.985028	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K+HCOOH"	84.968628
"1422509"	277.016538	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+H+CF3COOH"	115.000138
"1153892"	143.555301	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+3ACN+2H"	125.094202
"1711100"	294.043085	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+NH4+CF3COOH"	132.026685
"1642375"	298.99848	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+Na+CF3COOH"	136.98208
"1583493"	314.97242	"C20485"	"(4S)-4-Hydroxy-2-oxoglutarate;(S)-2-Hydroxy-4-oxopentanedioate;L-4-Hydroxy-2-oxoglutarate"	"C5H6O6"	"162.0164"	"M+K+CF3COOH"	152.95602
"804017"	204.1878	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M"	0
"977183"	185.16941	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"66885"	135.117924	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516657"	203.180524	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"887532"	67.055324	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"6105"	203.180524	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"445665"	305.274424	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"822374"	101.086624	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"81999"	407.368324	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"518885"	611.556124	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"899366"	203.180524	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"59460"	424.394871	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502809"	628.582671	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"879794"	220.207071	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"47003"	429.350266	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"484047"	633.538066	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"863635"	225.162466	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1633570"	225.162466	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"109247"	221.168863	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"549916"	323.262763	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"942617"	119.074963	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"282544"	443.345002	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"675412"	647.532802	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1287968"	239.157202	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"25096"	445.324206	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"459189"	649.512006	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"844647"	241.136406	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1569229"	241.136406	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"948363"	249.185994	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"374234"	453.373801	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"361163"	467.389451	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1508423"	263.201651	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"969029"	271.167951	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"115023"	239.157202	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"558594"	341.251102	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032866"	137.063302	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1256463"	283.106685	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1318546"	285.162672	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1335532"	307.144629	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"924544"	317.173386	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1304013"	353.150064	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1381971"	169.175124	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1397967"	187.1851	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"296963"	409.382876	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"689384"	613.570676	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1364271"	205.195076	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137160"	205.195076	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"574533"	307.288976	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1046612"	103.101176	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218162"	137.132476	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659553"	205.195076	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1177670"	69.069876	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"439654"	426.409423	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"800812"	630.597223	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1696326"	222.221623	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"344605"	213.7083495	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"735324"	315.8022495	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1490604"	111.6144495	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"408281"	431.364818	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"768949"	635.552618	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1608539"	227.177018	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"315054"	216.186047	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"708205"	318.279947	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1462141"	114.092147	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1053690"	76.39719	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1258281"	237.221286	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"381593"	447.338758	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"739553"	651.526558	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1543188"	243.150958	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+K"	38.963158
"299020"	224.173017	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"691686"	326.266917	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1447328"	122.079117	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"235743"	450.409426	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1213387"	246.221626	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195810"	123.614451	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"192697"	453.34676	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"633349"	657.53456	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1140139"	249.15896	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"177230"	227.177018	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"619705"	329.270918	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1125401"	125.083118	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1404553"	83.724504	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1438856"	251.200546	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"227458"	232.21004	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1514428"	265.25259	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"417395"	235.163988	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"782765"	337.257888	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1680798"	133.070088	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"262335"	472.391368	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1240147"	268.203568	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1719555"	268.227093	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1184908"	91.051818	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1654802"	273.182488	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161668"	485.29464	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"604510"	689.48244	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1085743"	281.10684	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"142554"	243.150958	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"582355"	345.244858	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1069048"	141.057058	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1104214"	283.121392	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1347164"	283.209007	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1021015"	287.248176	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1538447"	288.241808	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1005017"	144.127726	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1602187"	289.156428	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1423713"	319.187938	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1154002"	164.641001	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1711210"	336.214485	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1642485"	341.16988	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1583603"	357.14382	"C20486"	"7-Epizingiberene;(5R)-2-Methyl-5-(2R)-6-methylhept-5-en-2-ylcyclohexa-13-diene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"804127"	165.079	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M"	0
"976565"	146.06061	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"66995"	109.045390666667	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"513121"	164.071724	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"882175"	54.0190573333333	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"2935"	164.071724	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"441765"	246.611224	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"822484"	81.532224	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"81381"	329.150724	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"518631"	494.229724	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"899112"	164.071724	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"59691"	346.177271	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"502254"	511.256271	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"879757"	181.098271	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"46996"	351.132666	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"484886"	516.211666	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"864159"	186.053666	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1633601"	186.053666	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"109897"	182.060063	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"549894"	264.599563	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"942524"	99.520563	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"282081"	365.127402	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"673529"	530.206402	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1287025"	200.048402	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"25206"	367.106606	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"457476"	532.185606	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"842571"	202.027606	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1566059"	202.027606	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"948473"	210.077194	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"372157"	375.156201	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"360057"	389.171851	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1508333"	224.092851	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"964767"	232.059151	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"115132"	200.048402	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"558704"	282.587902	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1035163"	117.508902	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1256941"	243.997885	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1319340"	246.053872	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1335534"	268.035829	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"926113"	278.064586	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1304114"	314.041264	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1381714"	130.066324	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1398274"	148.0763	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"297802"	331.165276	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"689130"	496.244276	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1361101"	166.086276	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"138730"	166.086276	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"574643"	248.625776	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1046721"	83.546776	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"219006"	111.059942666667	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"659539"	166.086276	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1178416"	56.0336093333333	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"438992"	348.191823	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"799502"	513.270823	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1692913"	183.112823	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"341190"	174.5995495	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"731424"	257.1390495	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1487433"	92.0600495	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"408265"	353.147218	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"761642"	518.226218	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1607556"	188.068218	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"315281"	177.077247	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"708311"	259.616747	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1461645"	94.537747	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1053024"	63.3609233333333	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1257539"	198.112486	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"378665"	369.121158	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"739015"	534.200158	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1542934"	204.042158	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"298767"	185.064217	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"691470"	267.603717	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1445766"	102.524717	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"236280"	372.191826	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1210167"	207.112826	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1194947"	104.060051	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"194994"	375.12916	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"631272"	540.20816	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1138062"	210.05016	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"177341"	188.068218	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"617628"	270.607718	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1125511"	105.528718	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1409039"	70.6882373333333	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1436780"	212.091746	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"226475"	193.10124	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1512349"	226.14379	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"417503"	196.055188	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"773033"	278.594688	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1678113"	113.515688	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"264632"	394.173768	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1236247"	229.094768	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1719665"	229.118293	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1181372"	78.0155513333333	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1654547"	234.073688	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"163964"	407.07704	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"603527"	572.15604	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1086946"	241.99804	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"143761"	204.042158	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"583075"	286.581658	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1068506"	121.502658	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1106511"	244.012592	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1346181"	244.100207	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1021088"	248.139376	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1539738"	249.133008	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"1005534"	124.573326	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1601446"	250.047628	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1423823"	280.079138	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1156299"	145.086601	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1711320"	297.105685	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1642595"	302.06108	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1583713"	318.03502	"C20487"	"L-beta-Phenylalanine;(R)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"804237"	165.079	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M"	0
"977039"	146.06061	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H2O-H"	-19.01839
"65646"	109.045390666667	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-3H"	-3.021828
"513231"	164.071724	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-3H"	-3.021828
"881919"	54.0190573333333	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-3H"	-3.021828
"5231"	164.071724	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H"	-2.014552
"443332"	246.611224	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H"	-2.014552
"823686"	81.532224	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H"	-2.014552
"80761"	329.150724	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-H"	-1.007276
"518984"	494.229724	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-H"	-1.007276
"899221"	164.071724	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H"	-1.007276
"59680"	346.177271	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H+NH4"	16.019271
"499363"	511.256271	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H+NH4"	16.019271
"879645"	181.098271	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H+NH4"	16.019271
"45434"	351.132666	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H+Na"	20.974666
"483537"	516.211666	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H+Na"	20.974666
"863286"	186.053666	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H+Na"	20.974666
"1632939"	186.053666	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na-2H"	20.974666
"108494"	182.060063	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-H+Cl"	33.962126
"549803"	264.599563	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-H+Cl"	33.962126
"941571"	99.520563	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+Cl"	33.962126
"276844"	365.127402	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Cl"	34.969402
"672545"	530.206402	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+Cl"	34.969402
"1278387"	200.048402	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl"	34.969402
"18756"	367.106606	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M-2H+K"	36.948606
"457586"	532.185606	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M-2H+K"	36.948606
"840494"	202.027606	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-2H+K"	36.948606
"1563982"	202.027606	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K-2H"	36.948606
"946396"	210.077194	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+HCOOH"	44.998194
"367893"	375.156201	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+HCOOH-H"	44.998201
"359800"	389.171851	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Hac-H"	59.013851
"1508416"	224.092851	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Hac-H"	59.013851
"968157"	232.059151	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+NaCOOH"	66.980151
"113783"	200.048402	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2Cl"	69.938804
"554440"	282.587902	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2Cl"	69.938804
"1035273"	117.508902	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2Cl"	69.938804
"1256928"	243.997885	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Br"	78.918885
"1318398"	246.053872	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl+HCOOH"	80.974872
"1333708"	268.035829	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl+NaCOOH"	102.956829
"925860"	278.064586	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M-H+CF3COOH"	112.985586
"1303541"	314.041264	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Cl+CF3COOH"	148.962264
"1381095"	130.066324	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H-2H2O"	-35.012676
"1397133"	148.0763	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H-H2O"	-17.0027
"296452"	331.165276	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H"	1.007276
"689604"	496.244276	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H"	1.007276
"1361211"	166.086276	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H"	1.007276
"139204"	166.086276	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2H"	2.014552
"574753"	248.625776	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2H"	2.014552
"1043551"	83.546776	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2H"	2.014552
"219111"	111.059942666667	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+3H"	3.021828
"659403"	166.086276	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+3H"	3.021828
"1178173"	56.0336093333333	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+3H"	3.021828
"439465"	348.191823	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+NH4"	18.033823
"795599"	513.270823	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+NH4"	18.033823
"1690836"	183.112823	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+NH4"	18.033823
"339112"	174.5995495	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H+NH4"	19.041099
"728253"	257.1390495	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H+NH4"	19.041099
"1485356"	92.0600495	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+NH4"	19.041099
"402943"	353.147218	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Na"	22.989218
"755191"	518.226218	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+Na"	22.989218
"1604750"	188.068218	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na"	22.989218
"314342"	177.077247	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H+Na"	23.996494
"707132"	259.616747	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H+Na"	23.996494
"1461670"	94.537747	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+Na"	23.996494
"1053906"	63.3609233333333	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2H+Na"	25.00377
"1257122"	198.112486	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+CH3OH+H"	33.033486
"378530"	369.121158	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+K"	38.963158
"739124"	534.200158	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+K"	38.963158
"1540040"	204.042158	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K"	38.963158
"299037"	185.064217	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+H+K"	39.970434
"692268"	267.603717	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+H+K"	39.970434
"1445883"	102.524717	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+K"	39.970434
"236145"	372.191826	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+ACN+H"	42.033826
"1210313"	207.112826	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+ACN+H"	42.033826
"1195421"	104.060051	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+ACN+2H"	43.041102
"191822"	375.12916	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2Na-H"	44.97116
"629921"	540.20816	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2Na-H"	44.97116
"1134890"	210.05016	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2Na-H"	44.97116
"176357"	188.068218	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2Na"	45.978436
"613481"	270.607718	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2Na"	45.978436
"1116141"	105.528718	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2Na"	45.978436
"1401494"	70.6882373333333	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+2Na"	46.985712
"1431785"	212.091746	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+HCOOH"	47.012746
"220385"	193.10124	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+3H2O+2H"	56.04448
"1511729"	226.14379	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+IsoProp+H"	61.06479
"408736"	196.055188	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+Na+K"	61.952376
"772776"	278.594688	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+Na+K"	61.952376
"1671663"	113.515688	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na+K"	61.952376
"254172"	394.173768	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+ACN+Na"	64.015768
"1229795"	229.094768	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+ACN+Na"	64.015768
"1716493"	229.118293	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+NH4+HCOOH"	64.039293
"1181846"	78.0155513333333	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+3Na"	68.967654
"1649978"	234.073688	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na+HCOOH"	68.994688
"157387"	407.07704	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2K-H"	76.91904
"598651"	572.15604	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2K-H"	76.91904
"1084219"	241.99804	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2K-H"	76.91904
"141436"	204.042158	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"2M+2K"	77.926316
"581443"	286.581658	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"3M+2K"	77.926316
"1069262"	121.502658	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2K"	77.926316
"1102247"	244.012592	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2K+H"	78.933592
"1346291"	244.100207	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+DMSO+H"	79.021207
"1021152"	248.139376	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2ACN+H"	83.060376
"1539752"	249.133008	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+IsoProp+Na+H"	84.054008
"1005592"	124.573326	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+2ACN+2H"	84.067652
"1601556"	250.047628	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K+HCOOH"	84.968628
"1421746"	280.079138	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+H+CF3COOH"	115.000138
"1155315"	145.086601	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+3ACN+2H"	125.094202
"1711430"	297.105685	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+NH4+CF3COOH"	132.026685
"1642705"	302.06108	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+Na+CF3COOH"	136.98208
"1583823"	318.03502	"C20488"	"D-beta-Phenylalanine;(S)-3-Amino-3-phenylpropanoate"	"C9H11NO2"	"165.079"	"M+K+CF3COOH"	152.95602
"807627"	565.1557	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M"	0
"978972"	546.13731	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-H2O-H"	-19.01839
"67214"	375.763190666667	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M-3H"	-3.021828
"514434"	564.148424	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M-3H"	-3.021828
"882394"	187.377957333333	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-3H"	-3.021828
"5341"	564.148424	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M-2H"	-2.014552
"445265"	846.726274	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M-2H"	-2.014552
"824890"	281.570574	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-2H"	-2.014552
"84880"	1129.304124	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M-H"	-1.007276
"520067"	1694.459824	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M-H"	-1.007276
"899331"	564.148424	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-H"	-1.007276
"57724"	1146.330671	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M-2H+NH4"	16.019271
"499473"	1711.486371	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M-2H+NH4"	16.019271
"879699"	581.174971	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-2H+NH4"	16.019271
"42992"	1151.286066	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M-2H+Na"	20.974666
"483647"	1716.441766	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M-2H+Na"	20.974666
"862909"	586.130366	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-2H+Na"	20.974666
"1633292"	586.130366	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Na-2H"	20.974666
"108483"	582.136763	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M-H+Cl"	33.962126
"549140"	864.714613	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M-H+Cl"	33.962126
"941195"	299.558913	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-H+Cl"	33.962126
"276954"	1165.280802	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+Cl"	34.969402
"672655"	1730.436502	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+Cl"	34.969402
"1278497"	600.125102	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Cl"	34.969402
"18866"	1167.260006	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M-2H+K"	36.948606
"457332"	1732.415706	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M-2H+K"	36.948606
"839511"	602.104306	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-2H+K"	36.948606
"1564092"	602.104306	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+K-2H"	36.948606
"945413"	610.153894	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-H+HCOOH"	44.998194
"368003"	1175.309601	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+HCOOH-H"	44.998201
"358818"	1189.325251	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+Hac-H"	59.013851
"1508228"	624.169551	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Hac-H"	59.013851
"968267"	632.135851	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-H+NaCOOH"	66.980151
"116081"	600.125102	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+2Cl"	69.938804
"552363"	882.702952	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+2Cl"	69.938804
"1035384"	317.547252	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2Cl"	69.938804
"1256878"	644.074585	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Br"	78.918885
"1318872"	646.130572	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Cl+HCOOH"	80.974872
"1334182"	668.112529	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Cl+NaCOOH"	102.956829
"926332"	678.141286	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M-H+CF3COOH"	112.985586
"1303287"	714.117964	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Cl+CF3COOH"	148.962264
"1382179"	530.143024	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H-2H2O"	-35.012676
"1397933"	548.153	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H-H2O"	-17.0027
"296926"	1131.318676	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+H"	1.007276
"689712"	1696.474376	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+H"	1.007276
"1362780"	566.162976	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H"	1.007276
"139679"	566.162976	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+2H"	2.014552
"574863"	848.740826	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+2H"	2.014552
"1042567"	283.585126	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2H"	2.014552
"219631"	377.777742666667	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+3H"	3.021828
"659516"	566.162976	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+3H"	3.021828
"1176906"	189.392509333333	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+3H"	3.021828
"437994"	1148.345223	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+NH4"	18.033823
"795709"	1713.500923	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+NH4"	18.033823
"1689853"	583.189523	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+NH4"	18.033823
"337035"	574.6762495	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+H+NH4"	19.041099
"728364"	857.2540995	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+H+NH4"	19.041099
"1482186"	292.0983995	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H+NH4"	19.041099
"401959"	1153.300618	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+Na"	22.989218
"755663"	1718.456318	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+Na"	22.989218
"1604860"	588.144918	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Na"	22.989218
"314294"	577.153947	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+H+Na"	23.996494
"707218"	859.731797	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+H+Na"	23.996494
"1461534"	294.576097	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H+Na"	23.996494
"1054743"	196.719823333333	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2H+Na"	25.00377
"1258000"	598.189186	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+CH3OH+H"	33.033486
"378034"	1169.274558	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+K"	38.963158
"739518"	1734.430258	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+K"	38.963158
"1540964"	604.118858	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+K"	38.963158
"299351"	585.140917	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+H+K"	39.970434
"692258"	867.718767	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+H+K"	39.970434
"1446439"	302.563067	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H+K"	39.970434
"236010"	1172.345226	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+ACN+H"	42.033826
"1210911"	607.189526	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+ACN+H"	42.033826
"1195282"	304.098401	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+ACN+2H"	43.041102
"191932"	1175.28256	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+2Na-H"	44.97116
"629422"	1740.43826	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+2Na-H"	44.97116
"1132443"	610.12686	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2Na-H"	44.97116
"175739"	588.144918	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+2Na"	45.978436
"616027"	870.722768	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+2Na"	45.978436
"1118438"	305.567068	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2Na"	45.978436
"1400503"	204.047137333333	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H+2Na"	46.985712
"1432620"	612.168446	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H+HCOOH"	47.012746
"222315"	593.17794	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+3H2O+2H"	56.04448
"1511475"	626.22049	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+IsoProp+H"	61.06479
"409698"	596.131888	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+Na+K"	61.952376
"772154"	878.709738	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+Na+K"	61.952376
"1666337"	313.554038	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Na+K"	61.952376
"252575"	1194.327168	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+ACN+Na"	64.015768
"1226086"	629.171468	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+ACN+Na"	64.015768
"1713314"	629.194993	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+NH4+HCOOH"	64.039293
"1179771"	211.374451333333	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+3Na"	68.967654
"1650783"	634.150388	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Na+HCOOH"	68.994688
"158712"	1207.23044	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+2K-H"	76.91904
"598761"	1772.38614	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+2K-H"	76.91904
"1086071"	642.07474	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2K-H"	76.91904
"141577"	604.118858	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"2M+2K"	77.926316
"581822"	886.696708	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"3M+2K"	77.926316
"1069617"	321.541008	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2K"	77.926316
"1101505"	644.089292	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2K+H"	78.933592
"1346401"	644.176907	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+DMSO+H"	79.021207
"1020734"	648.216076	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2ACN+H"	83.060376
"1538900"	649.209708	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+IsoProp+Na+H"	84.054008
"1005430"	324.611676	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+2ACN+2H"	84.067652
"1600573"	650.124328	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+K+HCOOH"	84.968628
"1421856"	680.155838	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+H+CF3COOH"	115.000138
"1155425"	345.124951	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+3ACN+2H"	125.094202
"1711540"	697.182385	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+NH4+CF3COOH"	132.026685
"1639535"	702.13778	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+Na+CF3COOH"	136.98208
"1583933"	718.11172	"C20489"	"Pelargonidin 3-O-beta-D-sambubioside"	"C26H29O14"	"565.1557"	"M+K+CF3COOH"	152.95602
"807736"	581.1506	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M"	0
"977988"	562.13221	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-H2O-H"	-19.01839
"65500"	386.426457333333	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M-3H"	-3.021828
"514544"	580.143324	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M-3H"	-3.021828
"883596"	192.709590666667	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-3H"	-3.021828
"4357"	580.143324	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M-2H"	-2.014552
"445011"	870.718624	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M-2H"	-2.014552
"825000"	289.568024	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-2H"	-2.014552
"86084"	1161.293924	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M-H"	-1.007276
"519326"	1742.444524	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M-H"	-1.007276
"897740"	580.143324	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-H"	-1.007276
"57834"	1178.320471	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M-2H+NH4"	16.019271
"499583"	1759.471071	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M-2H+NH4"	16.019271
"878607"	597.169871	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-2H+NH4"	16.019271
"44195"	1183.275866	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M-2H+Na"	20.974666
"483757"	1764.426466	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M-2H+Na"	20.974666
"862776"	602.125266	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-2H+Na"	20.974666
"1633037"	602.125266	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Na-2H"	20.974666
"108229"	598.131663	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M-H+Cl"	33.962126
"548277"	888.706963	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M-H+Cl"	33.962126
"941793"	307.556363	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-H+Cl"	33.962126
"278157"	1197.270602	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+Cl"	34.969402
"673858"	1778.421202	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+Cl"	34.969402
"1278607"	616.120002	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Cl"	34.969402
"18976"	1199.249806	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M-2H+K"	36.948606
"457442"	1780.400406	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M-2H+K"	36.948606
"835244"	618.099206	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-2H+K"	36.948606
"1555814"	618.099206	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+K-2H"	36.948606
"942795"	626.148794	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-H+HCOOH"	44.998194
"364833"	1207.299401	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+HCOOH-H"	44.998201
"358195"	1221.315051	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+Hac-H"	59.013851
"1507519"	640.164451	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Hac-H"	59.013851
"962180"	648.130751	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-H+NaCOOH"	66.980151
"114005"	616.120002	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+2Cl"	69.938804
"554660"	906.695302	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+2Cl"	69.938804
"1035499"	325.544702	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2Cl"	69.938804
"1255444"	660.069485	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Br"	78.918885
"1317159"	662.125472	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Cl+HCOOH"	80.974872
"1333564"	684.107429	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Cl+NaCOOH"	102.956829
"924622"	694.136186	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M-H+CF3COOH"	112.985586
"1302055"	730.112864	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Cl+CF3COOH"	148.962264
"1380466"	546.137924	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H-2H2O"	-35.012676
"1397234"	564.1479	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H-H2O"	-17.0027
"296672"	1163.308476	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+H"	1.007276
"689091"	1744.459076	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+H"	1.007276
"1360338"	582.157876	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H"	1.007276
"134321"	582.157876	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+2H"	2.014552
"574973"	872.733176	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+2H"	2.014552
"1041584"	291.582576	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2H"	2.014552
"219212"	388.441009333333	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+3H"	3.021828
"659134"	582.157876	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+3H"	3.021828
"1172639"	194.724142666667	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+3H"	3.021828
"437005"	1180.335023	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+NH4"	18.033823
"800192"	1761.485623	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+NH4"	18.033823
"1689961"	599.184423	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+NH4"	18.033823
"342612"	590.6711495	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+H+NH4"	19.041099
"727380"	881.2464495	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+H+NH4"	19.041099
"1484482"	300.0958495	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H+NH4"	19.041099
"398789"	1185.290418	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+Na"	22.989218
"755531"	1766.441018	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+Na"	22.989218
"1604606"	604.139818	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Na"	22.989218
"314999"	593.148847	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+H+Na"	23.996494
"707910"	883.724147	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+H+Na"	23.996494
"1462213"	302.573547	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H+Na"	23.996494
"1054126"	202.051456666667	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2H+Na"	25.00377
"1257991"	614.184086	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+CH3OH+H"	33.033486
"378025"	1201.264358	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+K"	38.963158
"740480"	1782.414958	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+K"	38.963158
"1543262"	620.113758	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+K"	38.963158
"299218"	601.135817	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+H+K"	39.970434
"692126"	891.711117	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+H+K"	39.970434
"1446307"	310.560517	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H+K"	39.970434
"236162"	1204.335026	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+ACN+H"	42.033826
"1211022"	623.184426	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+ACN+H"	42.033826
"1194541"	312.095851	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+ACN+2H"	43.041102
"190947"	1207.27236	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+2Na-H"	44.97116
"630867"	1788.42296	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+2Na-H"	44.97116
"1133281"	626.12176	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2Na-H"	44.97116
"178032"	604.139818	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+2Na"	45.978436
"614795"	894.715118	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+2Na"	45.978436
"1117815"	313.564518	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2Na"	45.978436
"1400614"	209.378770666667	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H+2Na"	46.985712
"1434923"	628.163346	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H+HCOOH"	47.012746
"223518"	609.17284	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+3H2O+2H"	56.04448
"1511584"	642.21539	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+IsoProp+H"	61.06479
"410900"	612.126788	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+Na+K"	61.952376
"774084"	902.702088	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+Na+K"	61.952376
"1667862"	321.551488	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Na+K"	61.952376
"253293"	1226.316968	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+ACN+Na"	64.015768
"1227455"	645.166368	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+ACN+Na"	64.015768
"1713183"	645.189893	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+NH4+HCOOH"	64.039293
"1179510"	216.706084666667	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+3Na"	68.967654
"1650248"	650.145288	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Na+HCOOH"	68.994688
"158216"	1239.22024	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+2K-H"	76.91904
"599116"	1820.37084	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+2K-H"	76.91904
"1086909"	658.06964	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2K-H"	76.91904
"141771"	620.113758	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"2M+2K"	77.926316
"581695"	910.689058	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"3M+2K"	77.926316
"1068798"	329.538458	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2K"	77.926316
"1102466"	660.084192	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2K+H"	78.933592
"1345418"	660.171807	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+DMSO+H"	79.021207
"1020925"	664.210976	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2ACN+H"	83.060376
"1539376"	665.204608	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+IsoProp+Na+H"	84.054008
"1005501"	332.609126	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+2ACN+2H"	84.067652
"1600683"	666.119228	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+K+HCOOH"	84.968628
"1423059"	696.150738	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+H+CF3COOH"	115.000138
"1155535"	353.122401	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+3ACN+2H"	125.094202
"1711650"	713.177285	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+NH4+CF3COOH"	132.026685
"1639645"	718.13268	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+Na+CF3COOH"	136.98208
"1584043"	734.10662	"C20490"	"Cyanidin 3-O-beta-D-sambubioside"	"C26H29O15"	"581.1506"	"M+K+CF3COOH"	152.95602
"813315"	597.1456	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M"	0
"978100"	578.12721	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-H2O-H"	-19.01839
"64154"	397.089790666667	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M-3H"	-3.021828
"514654"	596.138324	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M-3H"	-3.021828
"882614"	198.041257333333	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-3H"	-3.021828
"3374"	596.138324	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M-2H"	-2.014552
"445121"	894.711124	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M-2H"	-2.014552
"821830"	297.565524	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-2H"	-2.014552
"86193"	1193.283924	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M-H"	-1.007276
"520289"	1790.429524	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M-H"	-1.007276
"896757"	596.138324	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-H"	-1.007276
"62198"	1210.310471	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M-2H+NH4"	16.019271
"501758"	1807.456071	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M-2H+NH4"	16.019271
"879492"	613.164871	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-2H+NH4"	16.019271
"46741"	1215.265866	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M-2H+Na"	20.974666
"484960"	1812.411466	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M-2H+Na"	20.974666
"863816"	618.120266	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-2H+Na"	20.974666
"1633960"	618.120266	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Na-2H"	20.974666
"106637"	614.126663	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M-H+Cl"	33.962126
"549076"	912.699463	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M-H+Cl"	33.962126
"942226"	315.553863	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-H+Cl"	33.962126
"274987"	1229.260602	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+Cl"	34.969402
"671781"	1826.406202	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+Cl"	34.969402
"1278717"	632.115002	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Cl"	34.969402
"19086"	1231.239806	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M-2H+K"	36.948606
"457552"	1828.385406	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M-2H+K"	36.948606
"835354"	634.094206	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-2H+K"	36.948606
"1556168"	634.094206	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+K-2H"	36.948606
"943036"	642.143794	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-H+HCOOH"	44.998194
"366036"	1239.289401	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+HCOOH-H"	44.998201
"358304"	1253.305051	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+Hac-H"	59.013851
"1498759"	656.159451	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Hac-H"	59.013851
"961927"	664.125751	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-H+NaCOOH"	66.980151
"113021"	632.115002	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+2Cl"	69.938804
"556957"	930.687802	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+2Cl"	69.938804
"1035609"	333.542202	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2Cl"	69.938804
"1255916"	676.064485	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Br"	78.918885
"1316177"	678.120472	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Cl+HCOOH"	80.974872
"1330756"	700.102429	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Cl+NaCOOH"	102.956829
"919625"	710.131186	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M-H+CF3COOH"	112.985586
"1301436"	746.107864	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Cl+CF3COOH"	148.962264
"1377775"	562.132924	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H-2H2O"	-35.012676
"1388709"	580.1429	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H-H2O"	-17.0027
"292769"	1195.298476	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+H"	1.007276
"684097"	1792.444076	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+H"	1.007276
"1357167"	598.152876	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H"	1.007276
"131149"	598.152876	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+2H"	2.014552
"567792"	896.725676	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+2H"	2.014552
"1040965"	299.580076	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2H"	2.014552
"216161"	399.104342666667	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+3H"	3.021828
"654626"	598.152876	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+3H"	3.021828
"1169469"	200.055809333333	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+3H"	3.021828
"431647"	1212.325023	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+NH4"	18.033823
"801152"	1809.470623	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+NH4"	18.033823
"1688978"	615.179423	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+NH4"	18.033823
"339442"	606.6661495	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+H+NH4"	19.041099
"728582"	905.2389495	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+H+NH4"	19.041099
"1484592"	308.0933495	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H+NH4"	19.041099
"399992"	1217.280418	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+Na"	22.989218
"755883"	1814.426018	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+Na"	22.989218
"1605809"	620.134818	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Na"	22.989218
"318031"	609.143847	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+H+Na"	23.996494
"710089"	907.716647	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+H+Na"	23.996494
"1462081"	310.571047	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H+Na"	23.996494
"1053872"	207.383123333333	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2H+Na"	25.00377
"1259561"	630.179086	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+CH3OH+H"	33.033486
"380322"	1233.254358	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+K"	38.963158
"744235"	1830.399958	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+K"	38.963158
"1541914"	636.108758	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+K"	38.963158
"299088"	617.130817	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+H+K"	39.970434
"692600"	915.703617	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+H+K"	39.970434
"1446053"	318.558017	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H+K"	39.970434
"236232"	1236.325026	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+ACN+H"	42.033826
"1211011"	639.179426	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+ACN+H"	42.033826
"1196354"	320.093351	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+ACN+2H"	43.041102
"190693"	1239.26236	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+2Na-H"	44.97116
"629888"	1836.40796	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+2Na-H"	44.97116
"1133030"	642.11676	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2Na-H"	44.97116
"178142"	620.134818	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+2Na"	45.978436
"614784"	918.707618	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+2Na"	45.978436
"1117926"	321.562018	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2Na"	45.978436
"1399996"	214.710437333333	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H+2Na"	46.985712
"1435033"	644.158346	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H+HCOOH"	47.012746
"221805"	625.16784	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+3H2O+2H"	56.04448
"1512056"	658.21039	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+IsoProp+H"	61.06479
"410646"	628.121788	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+Na+K"	61.952376
"774559"	926.694588	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+Na+K"	61.952376
"1667245"	329.548988	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Na+K"	61.952376
"253767"	1258.306968	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+ACN+Na"	64.015768
"1227567"	661.161368	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+ACN+Na"	64.015768
"1712820"	661.184893	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+NH4+HCOOH"	64.039293
"1179257"	222.037751333333	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+3Na"	68.967654
"1650074"	666.140288	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Na+HCOOH"	68.994688
"157474"	1271.21024	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+2K-H"	76.91904
"599955"	1868.35584	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+2K-H"	76.91904
"1088479"	674.06464	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2K-H"	76.91904
"141449"	636.108758	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"2M+2K"	77.926316
"581447"	934.681558	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"3M+2K"	77.926316
"1068543"	337.535958	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2K"	77.926316
"1102697"	676.079192	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2K+H"	78.933592
"1348809"	676.166807	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+DMSO+H"	79.021207
"1021001"	680.205976	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2ACN+H"	83.060376
"1539246"	681.199608	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+IsoProp+Na+H"	84.054008
"1004962"	340.606626	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+2ACN+2H"	84.067652
"1602337"	682.114228	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+K+HCOOH"	84.968628
"1425356"	712.145738	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+H+CF3COOH"	115.000138
"1154552"	361.119901	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+3ACN+2H"	125.094202
"1712711"	729.172285	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+NH4+CF3COOH"	132.026685
"1639755"	734.12768	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+Na+CF3COOH"	136.98208
"1575405"	750.10162	"C20491"	"Delphinidin 3-O-beta-D-sambubioside"	"C26H29O16"	"597.1456"	"M+K+CF3COOH"	152.95602
"804677"	727.2086	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M"	0
"980397"	708.19021	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-H2O-H"	-19.01839
"66451"	483.798457333333	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M-3H"	-3.021828
"511485"	726.201324	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M-3H"	-3.021828
"881632"	241.395590666667	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-3H"	-3.021828
"2391"	726.201324	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M-2H"	-2.014552
"443409"	1089.805624	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M-2H"	-2.014552
"820117"	362.597024	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-2H"	-2.014552
"86303"	1453.409924	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M-H"	-1.007276
"520033"	2180.618524	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M-H"	-1.007276
"897594"	726.201324	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-H"	-1.007276
"58783"	1470.436471	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M-2H+NH4"	16.019271
"500532"	2197.645071	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M-2H+NH4"	16.019271
"879192"	743.227871	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-2H+NH4"	16.019271
"43323"	1475.391866	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M-2H+Na"	20.974666
"480696"	2202.600466	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M-2H+Na"	20.974666
"863602"	748.183266	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-2H+Na"	20.974666
"1634029"	748.183266	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Na-2H"	20.974666
"106747"	744.189663	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M-H+Cl"	33.962126
"547404"	1107.793963	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M-H+Cl"	33.962126
"940554"	380.585363	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-H+Cl"	33.962126
"276191"	1489.386602	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+Cl"	34.969402
"667519"	2216.595202	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+Cl"	34.969402
"1282108"	762.178002	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Cl"	34.969402
"26851"	1491.365806	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M-2H+K"	36.948606
"463130"	2218.574406	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M-2H+K"	36.948606
"839839"	764.157206	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-2H+K"	36.948606
"1558953"	764.157206	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+K-2H"	36.948606
"944649"	772.206794	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-H+HCOOH"	44.998194
"365053"	1499.415401	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+HCOOH-H"	44.998201
"358050"	1513.431051	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+Hac-H"	59.013851
"1495589"	786.222451	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Hac-H"	59.013851
"960943"	794.188751	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-H+NaCOOH"	66.980151
"113490"	762.178002	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+2Cl"	69.938804
"553052"	1125.782302	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+2Cl"	69.938804
"1036084"	398.573702	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2Cl"	69.938804
"1254567"	806.127485	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Br"	78.918885
"1316649"	808.183472	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Cl+HCOOH"	80.974872
"1332688"	830.165429	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Cl+NaCOOH"	102.956829
"918641"	840.194186	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M-H+CF3COOH"	112.985586
"1300087"	876.170864	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Cl+CF3COOH"	148.962264
"1374605"	692.195924	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H-2H2O"	-35.012676
"1389913"	710.2059	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H-H2O"	-17.0027
"292879"	1455.424476	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+H"	1.007276
"683112"	2182.633076	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+H"	1.007276
"1355088"	728.215876	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H"	1.007276
"130163"	728.215876	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+2H"	2.014552
"568993"	1091.820176	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+2H"	2.014552
"1043987"	364.611576	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2H"	2.014552
"214812"	485.813009333333	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+3H"	3.021828
"655829"	728.215876	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+3H"	3.021828
"1170672"	243.410142666667	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+3H"	3.021828
"428474"	1472.451023	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+NH4"	18.033823
"800899"	2199.659623	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+NH4"	18.033823
"1689087"	745.242423	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+NH4"	18.033823
"336270"	736.7291495	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+H+NH4"	19.041099
"728692"	1100.3334495	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+H+NH4"	19.041099
"1480692"	373.1248495	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H+NH4"	19.041099
"393904"	1477.406418	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+Na"	22.989218
"754413"	2204.615018	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+Na"	22.989218
"1605918"	750.197818	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Na"	22.989218
"314696"	739.206847	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+H+Na"	23.996494
"708742"	1102.811147	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+H+Na"	23.996494
"1461312"	375.602547	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H+Na"	23.996494
"1053982"	250.737456666667	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2H+Na"	25.00377
"1261858"	760.242086	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+CH3OH+H"	33.033486
"377203"	1493.380358	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+K"	38.963158
"741429"	2220.588958	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+K"	38.963158
"1540565"	766.171758	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+K"	38.963158
"298575"	747.193817	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+H+K"	39.970434
"691983"	1110.798117	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+H+K"	39.970434
"1445839"	383.589517	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H+K"	39.970434
"235813"	1496.451026	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+ACN+H"	42.033826
"1209951"	769.242426	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+ACN+H"	42.033826
"1194309"	385.124851	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+ACN+2H"	43.041102
"191521"	1499.38836	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+2Na-H"	44.97116
"629872"	2226.59696	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+2Na-H"	44.97116
"1133134"	772.17976	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2Na-H"	44.97116
"175336"	750.197818	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+2Na"	45.978436
"614285"	1113.802118	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+2Na"	45.978436
"1118036"	386.593518	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2Na"	45.978436
"1399495"	258.064770666667	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H+2Na"	46.985712
"1430398"	774.221346	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H+HCOOH"	47.012746
"220371"	755.23084	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+3H2O+2H"	56.04448
"1510340"	788.27339	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+IsoProp+H"	61.06479
"410027"	758.184788	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+Na+K"	61.952376
"774304"	1121.789088	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+Na+K"	61.952376
"1666016"	394.580488	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Na+K"	61.952376
"252010"	1518.432968	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+ACN+Na"	64.015768
"1225625"	791.224368	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+ACN+Na"	64.015768
"1712986"	791.247893	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+NH4+HCOOH"	64.039293
"1178672"	265.392084666667	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+3Na"	68.967654
"1649915"	796.203288	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Na+HCOOH"	68.994688
"157949"	1531.33624	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+2K-H"	76.91904
"597308"	2258.54484	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+2K-H"	76.91904
"1087493"	804.12764	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2K-H"	76.91904
"141585"	766.171758	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"2M+2K"	77.926316
"581587"	1129.776058	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"3M+2K"	77.926316
"1068644"	402.567458	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2K"	77.926316
"1099968"	806.142192	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2K+H"	78.933592
"1350865"	806.229807	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+DMSO+H"	79.021207
"1021214"	810.268976	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2ACN+H"	83.060376
"1539824"	811.262608	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+IsoProp+Na+H"	84.054008
"1005315"	405.638126	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+2ACN+2H"	84.067652
"1602364"	812.177228	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+K+HCOOH"	84.968628
"1425466"	842.208738	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+H+CF3COOH"	115.000138
"1154662"	426.151401	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+3ACN+2H"	125.094202
"1712519"	859.235285	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+NH4+CF3COOH"	132.026685
"1643145"	864.19068	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+Na+CF3COOH"	136.98208
"1575515"	880.16462	"C20492"	"Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O19"	"727.2086"	"M+K+CF3COOH"	152.95602
"814628"	743.2035	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M"	0
"984881"	724.18511	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-H2O-H"	-19.01839
"74216"	494.461724	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M-3H"	-3.021828
"512688"	742.196224	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M-3H"	-3.021828
"885024"	246.727224	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-3H"	-3.021828
"2503"	742.196224	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M-2H"	-2.014552
"445343"	1113.797974	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M-2H"	-2.014552
"820958"	370.594474	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-2H"	-2.014552
"83501"	1485.399724	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M-H"	-1.007276
"520264"	2228.603224	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M-H"	-1.007276
"900135"	742.196224	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-H"	-1.007276
"58164"	1502.426271	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M-2H+NH4"	16.019271
"502183"	2245.629771	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M-2H+NH4"	16.019271
"878329"	759.222771	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-2H+NH4"	16.019271
"45259"	1507.381666	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M-2H+Na"	20.974666
"480806"	2250.585166	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M-2H+Na"	20.974666
"862984"	764.178166	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-2H+Na"	20.974666
"1633491"	764.178166	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Na-2H"	20.974666
"109288"	760.184563	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M-H+Cl"	33.962126
"546421"	1131.786313	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M-H+Cl"	33.962126
"941878"	388.582813	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-H+Cl"	33.962126
"275208"	1521.376402	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+Cl"	34.969402
"665442"	2264.579902	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+Cl"	34.969402
"1280032"	778.172902	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Cl"	34.969402
"24774"	1523.355606	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M-2H+K"	36.948606
"462147"	2266.559106	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M-2H+K"	36.948606
"838855"	780.152106	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-2H+K"	36.948606
"1557969"	780.152106	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+K-2H"	36.948606
"945852"	788.201694	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-H+HCOOH"	44.998194
"366256"	1531.405201	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+HCOOH-H"	44.998201
"358889"	1545.420851	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+Hac-H"	59.013851
"1498979"	802.217351	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Hac-H"	59.013851
"963240"	810.183651	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-H+NaCOOH"	66.980151
"113601"	778.172902	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+2Cl"	69.938804
"552798"	1149.774652	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+2Cl"	69.938804
"1035830"	406.571152	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2Cl"	69.938804
"1255405"	822.122385	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Br"	78.918885
"1317855"	824.178372	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Cl+HCOOH"	80.974872
"1333526"	846.160329	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Cl+NaCOOH"	102.956829
"923854"	856.189086	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M-H+CF3COOH"	112.985586
"1299468"	892.165764	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Cl+CF3COOH"	148.962264
"1379089"	708.190824	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H-2H2O"	-35.012676
"1391116"	726.2008	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H-H2O"	-17.0027
"290802"	1487.414276	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+H"	1.007276
"680305"	2230.617776	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+H"	1.007276
"1356292"	744.210776	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H"	1.007276
"129178"	744.210776	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+2H"	2.014552
"570924"	1115.812526	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+2H"	2.014552
"1041910"	372.609026	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2H"	2.014552
"211641"	496.476276	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+3H"	3.021828
"650470"	744.210776	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+3H"	3.021828
"1170782"	248.741776	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+3H"	3.021828
"430041"	1504.440823	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+NH4"	18.033823
"796144"	2247.644323	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+NH4"	18.033823
"1684821"	761.237323	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+NH4"	18.033823
"333465"	752.7240495	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+H+NH4"	19.041099
"726616"	1124.3257995	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+H+NH4"	19.041099
"1480437"	381.1222995	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H+NH4"	19.041099
"403492"	1509.396218	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+Na"	22.989218
"755252"	2252.599718	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+Na"	22.989218
"1605297"	766.192718	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Na"	22.989218
"320437"	755.201747	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+H+Na"	23.996494
"708120"	1126.803497	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+H+Na"	23.996494
"1464493"	383.599997	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H+Na"	23.996494
"1055185"	256.06909	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2H+Na"	25.00377
"1257713"	776.236986	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+CH3OH+H"	33.033486
"378345"	1525.370158	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+K"	38.963158
"741174"	2268.573658	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+K"	38.963158
"1540047"	782.166658	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+K"	38.963158
"298687"	763.188717	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+H+K"	39.970434
"691455"	1134.790467	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+H+K"	39.970434
"1445901"	391.586967	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H+K"	39.970434
"235877"	1528.440826	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+ACN+H"	42.033826
"1209987"	785.237326	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+ACN+H"	42.033826
"1194301"	393.122301	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+ACN+2H"	43.041102
"188703"	1531.37816	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+2Na-H"	44.97116
"628930"	2274.58166	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+2Na-H"	44.97116
"1134336"	788.17466	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2Na-H"	44.97116
"176175"	766.192718	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+2Na"	45.978436
"615002"	1137.794468	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+2Na"	45.978436
"1117053"	394.590968	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2Na"	45.978436
"1400340"	263.396404	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H+2Na"	46.985712
"1431602"	790.216246	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H+HCOOH"	47.012746
"222755"	771.22574	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+3H2O+2H"	56.04448
"1511181"	804.26829	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+IsoProp+H"	61.06479
"410502"	774.179688	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+Na+K"	61.952376
"772226"	1145.781438	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+Na+K"	61.952376
"1667102"	402.577938	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Na+K"	61.952376
"254349"	1550.422768	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+ACN+Na"	64.015768
"1226692"	807.219268	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+ACN+Na"	64.015768
"1712766"	807.242793	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+NH4+HCOOH"	64.039293
"1178784"	270.723718	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+3Na"	68.967654
"1650089"	812.198188	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Na+HCOOH"	68.994688
"157525"	1563.32604	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+2K-H"	76.91904
"599079"	2306.52954	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+2K-H"	76.91904
"1085416"	820.12254	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2K-H"	76.91904
"141534"	782.166658	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"2M+2K"	77.926316
"581621"	1153.768408	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"3M+2K"	77.926316
"1068681"	410.564908	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2K"	77.926316
"1100361"	822.137092	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2K+H"	78.933592
"1350123"	822.224707	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+DMSO+H"	79.021207
"1021220"	826.263876	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2ACN+H"	83.060376
"1538849"	827.257508	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+IsoProp+Na+H"	84.054008
"1002136"	413.635576	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+2ACN+2H"	84.067652
"1598824"	828.172128	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+K+HCOOH"	84.968628
"1423389"	858.203638	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+H+CF3COOH"	115.000138
"1155865"	434.148851	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+3ACN+2H"	125.094202
"1712345"	875.230185	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+NH4+CF3COOH"	132.026685
"1643255"	880.18558	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+Na+CF3COOH"	136.98208
"1575625"	896.15952	"C20493"	"Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O20"	"743.2035"	"M+K+CF3COOH"	152.95602
"804897"	759.1984	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M"	0
"978430"	740.18001	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-H2O-H"	-19.01839
"65578"	505.124990666667	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M-3H"	-3.021828
"514983"	758.191124	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M-3H"	-3.021828
"885134"	252.058857333333	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-3H"	-3.021828
"790"	758.191124	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M-2H"	-2.014552
"442175"	1137.790324	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M-2H"	-2.014552
"824350"	378.591924	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-2H"	-2.014552
"84339"	1517.389524	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M-H"	-1.007276
"520615"	2276.587924	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M-H"	-1.007276
"898787"	758.191124	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-H"	-1.007276
"58274"	1534.416071	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M-2H+NH4"	16.019271
"498926"	2293.614471	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M-2H+NH4"	16.019271
"875648"	775.217671	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-2H+NH4"	16.019271
"45365"	1539.371466	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M-2H+Na"	20.974666
"483103"	2298.569866	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M-2H+Na"	20.974666
"862367"	780.173066	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-2H+Na"	20.974666
"1633235"	780.173066	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Na-2H"	20.974666
"108791"	776.179463	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M-H+Cl"	33.962126
"546532"	1155.778663	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M-H+Cl"	33.962126
"940044"	396.580263	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-H+Cl"	33.962126
"278598"	1553.366202	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+Cl"	34.969402
"668832"	2312.564602	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+Cl"	34.969402
"1280142"	794.167802	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Cl"	34.969402
"21604"	1555.345406	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M-2H+K"	36.948606
"463350"	2314.543806	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M-2H+K"	36.948606
"836778"	796.147006	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-2H+K"	36.948606
"1559172"	796.147006	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+K-2H"	36.948606
"947055"	804.196594	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-H+HCOOH"	44.998194
"365273"	1563.395001	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+HCOOH-H"	44.998201
"357905"	1577.410651	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+Hac-H"	59.013851
"1508313"	818.212251	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Hac-H"	59.013851
"965537"	826.178551	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-H+NaCOOH"	66.980151
"114442"	794.167802	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+2Cl"	69.938804
"554002"	1173.767002	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+2Cl"	69.938804
"1034480"	414.568602	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2Cl"	69.938804
"1255149"	838.117285	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Br"	78.918885
"1317959"	840.173272	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Cl+HCOOH"	80.974872
"1334367"	862.155229	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Cl+NaCOOH"	102.956829
"923235"	872.183986	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M-H+CF3COOH"	112.985586
"1298848"	908.160664	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Cl+CF3COOH"	148.962264
"1372635"	724.185724	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H-2H2O"	-35.012676
"1390133"	742.1957	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H-H2O"	-17.0027
"290912"	1519.404076	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+H"	1.007276
"680051"	2278.602476	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+H"	1.007276
"1354579"	760.205676	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H"	1.007276
"130381"	760.205676	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+2H"	2.014552
"569939"	1139.804876	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+2H"	2.014552
"1041292"	380.606476	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2H"	2.014552
"212115"	507.139542666667	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+3H"	3.021828
"650580"	760.205676	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+3H"	3.021828
"1168706"	254.073409333333	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+3H"	3.021828
"431244"	1536.430623	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+NH4"	18.033823
"796254"	2295.629023	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+NH4"	18.033823
"1684563"	777.232223	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+NH4"	18.033823
"333210"	768.7189495	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+H+NH4"	19.041099
"726726"	1148.3181495	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+H+NH4"	19.041099
"1480547"	389.1197495	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H+NH4"	19.041099
"403601"	1541.386018	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+Na"	22.989218
"755485"	2300.584418	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+Na"	22.989218
"1607230"	782.187618	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Na"	22.989218
"318724"	771.196647	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+H+Na"	23.996494
"710783"	1150.795847	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+H+Na"	23.996494
"1465697"	391.597447	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H+Na"	23.996494
"1053106"	261.400723333333	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2H+Na"	25.00377
"1257702"	792.231886	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+CH3OH+H"	33.033486
"378455"	1557.359958	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+K"	38.963158
"744565"	2316.558358	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+K"	38.963158
"1542606"	798.161558	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+K"	38.963158
"298921"	779.183617	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+H+K"	39.970434
"691836"	1158.782817	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+H+K"	39.970434
"1446254"	399.584417	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H+K"	39.970434
"236153"	1560.430626	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+ACN+H"	42.033826
"1210640"	801.232226	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+ACN+H"	42.033826
"1194685"	401.119751	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+ACN+2H"	43.041102
"189548"	1563.36796	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+2Na-H"	44.97116
"629852"	2322.56636	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+2Na-H"	44.97116
"1134083"	804.16956	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2Na-H"	44.97116
"177014"	782.187618	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+2Na"	45.978436
"615113"	1161.786818	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+2Na"	45.978436
"1119351"	402.588418	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2Na"	45.978436
"1399841"	268.728037333333	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H+2Na"	46.985712
"1434265"	806.211146	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H+HCOOH"	47.012746
"222137"	787.22064	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+3H2O+2H"	56.04448
"1511292"	820.26319	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+IsoProp+H"	61.06479
"410977"	790.174588	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+Na+K"	61.952376
"771973"	1169.773788	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+Na+K"	61.952376
"1666852"	410.575388	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Na+K"	61.952376
"253731"	1582.412568	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+ACN+Na"	64.015768
"1226439"	823.214168	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+ACN+Na"	64.015768
"1712728"	823.237693	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+NH4+HCOOH"	64.039293
"1178610"	276.055351333333	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+3Na"	68.967654
"1650117"	828.193088	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Na+HCOOH"	68.994688
"157225"	1595.31584	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+2K-H"	76.91904
"597360"	2354.51424	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+2K-H"	76.91904
"1084231"	836.11744	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2K-H"	76.91904
"141524"	798.161558	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"2M+2K"	77.926316
"581402"	1177.760758	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"3M+2K"	77.926316
"1068943"	418.562358	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2K"	77.926316
"1100104"	838.131992	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2K+H"	78.933592
"1349869"	838.219607	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+DMSO+H"	79.021207
"1019615"	842.258776	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2ACN+H"	83.060376
"1538474"	843.252408	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+IsoProp+Na+H"	84.054008
"1002245"	421.633026	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+2ACN+2H"	84.067652
"1598934"	844.167028	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+K+HCOOH"	84.968628
"1423499"	874.198538	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+H+CF3COOH"	115.000138
"1155975"	442.146301	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+3ACN+2H"	125.094202
"1698963"	891.225085	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+NH4+CF3COOH"	132.026685
"1643365"	896.18048	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+Na+CF3COOH"	136.98208
"1575735"	912.15442	"C20494"	"Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside"	"C32H39O21"	"759.1984"	"M+K+CF3COOH"	152.95602
"808287"	595.1663	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M"	0
"979634"	576.14791	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H2O-H"	-19.01839
"64958"	395.770257333333	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-3H"	-3.021828
"516186"	594.159024	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-3H"	-3.021828
"888525"	197.381490666667	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-3H"	-3.021828
"7098"	594.159024	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H"	-2.014552
"446659"	891.742174	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H"	-2.014552
"827740"	296.575874	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H"	-2.014552
"85546"	1189.325324	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-H"	-1.007276
"524011"	1784.491624	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-H"	-1.007276
"899991"	594.159024	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H"	-1.007276
"56196"	1206.351871	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H+NH4"	16.019271
"495757"	1801.518171	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H+NH4"	16.019271
"877939"	611.185571	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H+NH4"	16.019271
"44381"	1211.307266	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H+Na"	20.974666
"482117"	1806.473566	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H+Na"	20.974666
"861015"	616.140966	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H+Na"	20.974666
"1628361"	616.140966	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na-2H"	20.974666
"109592"	612.147363	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-H+Cl"	33.962126
"547367"	909.730513	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-H+Cl"	33.962126
"936507"	314.564213	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+Cl"	33.962126
"272146"	1225.302002	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Cl"	34.969402
"664565"	1820.468302	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+Cl"	34.969402
"1280249"	630.135702	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl"	34.969402
"17214"	1227.281206	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M-2H+K"	36.948606
"457504"	1822.447506	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M-2H+K"	36.948606
"834701"	632.114906	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-2H+K"	36.948606
"1560378"	632.114906	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K-2H"	36.948606
"949353"	640.164494	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+HCOOH"	44.998194
"375471"	1235.330801	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+HCOOH-H"	44.998201
"356921"	1249.346451	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Hac-H"	59.013851
"1508290"	654.180151	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Hac-H"	59.013851
"970020"	662.146451	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+NaCOOH"	66.980151
"115645"	630.135702	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2Cl"	69.938804
"556299"	927.718852	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2Cl"	69.938804
"1034589"	332.552552	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2Cl"	69.938804
"1255625"	674.085185	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Br"	78.918885
"1316974"	676.141172	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl+HCOOH"	80.974872
"1334111"	698.123129	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl+NaCOOH"	102.956829
"924438"	708.151886	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M-H+CF3COOH"	112.985586
"1298958"	744.128564	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Cl+CF3COOH"	148.962264
"1372743"	560.153624	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H-2H2O"	-35.012676
"1389149"	578.1636	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H-H2O"	-17.0027
"287375"	1191.339876	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H"	1.007276
"683441"	1786.506176	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H"	1.007276
"1356510"	596.173576	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H"	1.007276
"129760"	596.173576	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2H"	2.014552
"570050"	893.756726	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2H"	2.014552
"1042857"	298.590426	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2H"	2.014552
"208944"	397.784809333333	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+3H"	3.021828
"651783"	596.173576	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+3H"	3.021828
"1172095"	199.396042666667	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+3H"	3.021828
"430993"	1208.366423	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+NH4"	18.033823
"793084"	1803.532723	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+NH4"	18.033823
"1685404"	613.200123	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+NH4"	18.033823
"333319"	604.6868495	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H+NH4"	19.041099
"730116"	902.2699995	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H+NH4"	19.041099
"1480653"	307.1036995	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+NH4"	19.041099
"405534"	1213.321818	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Na"	22.989218
"757417"	1808.488118	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+Na"	22.989218
"1605882"	618.155518	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na"	22.989218
"318105"	607.164547	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H+Na"	23.996494
"709800"	904.747697	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H+Na"	23.996494
"1465808"	309.581397	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+Na"	23.996494
"1054066"	206.723356666667	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2H+Na"	25.00377
"1258540"	628.199786	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+CH3OH+H"	33.033486
"377594"	1229.295758	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+K"	38.963158
"743582"	1824.462058	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+K"	38.963158
"1541258"	634.129458	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K"	38.963158
"299890"	615.151517	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+H+K"	39.970434
"691780"	912.734667	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+H+K"	39.970434
"1445662"	317.568367	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+K"	39.970434
"235738"	1232.366426	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+ACN+H"	42.033826
"1210001"	637.200126	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+ACN+H"	42.033826
"1194305"	319.103701	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+ACN+2H"	43.041102
"188925"	1235.30376	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2Na-H"	44.97116
"629963"	1830.47006	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2Na-H"	44.97116
"1133830"	640.13746	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2Na-H"	44.97116
"176395"	618.155518	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2Na"	45.978436
"616319"	915.738668	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2Na"	45.978436
"1119097"	320.572368	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2Na"	45.978436
"1399463"	214.050670666667	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+2Na"	46.985712
"1431333"	642.179046	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+HCOOH"	47.012746
"221032"	623.18854	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+3H2O+2H"	56.04448
"1510674"	656.23109	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+IsoProp+H"	61.06479
"412917"	626.142488	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+Na+K"	61.952376
"771477"	923.725638	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+Na+K"	61.952376
"1666231"	328.559338	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na+K"	61.952376
"253114"	1254.348368	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+ACN+Na"	64.015768
"1226915"	659.182068	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+ACN+Na"	64.015768
"1713248"	659.205593	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+NH4+HCOOH"	64.039293
"1181158"	221.377984666667	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+3Na"	68.967654
"1650440"	664.160988	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na+HCOOH"	68.994688
"157910"	1267.25164	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2K-H"	76.91904
"597547"	1862.41794	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2K-H"	76.91904
"1085998"	672.08534	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2K-H"	76.91904
"141841"	634.129458	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"2M+2K"	77.926316
"581878"	931.712608	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"3M+2K"	77.926316
"1068977"	336.546308	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2K"	77.926316
"1100339"	674.099892	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2K+H"	78.933592
"1349618"	674.187507	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+DMSO+H"	79.021207
"1019726"	678.226676	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2ACN+H"	83.060376
"1539677"	679.220308	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+IsoProp+Na+H"	84.054008
"1005278"	339.616976	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+2ACN+2H"	84.067652
"1600139"	680.134928	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K+HCOOH"	84.968628
"1424703"	710.166438	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+H+CF3COOH"	115.000138
"1156085"	360.130251	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+3ACN+2H"	125.094202
"1701261"	727.192985	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+NH4+CF3COOH"	132.026685
"1640195"	732.14838	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+Na+CF3COOH"	136.98208
"1575845"	748.12232	"C20495"	"Pelargonidin 37-di-O-beta-D-glucoside"	"C27H31O15"	"595.1663"	"M+K+CF3COOH"	152.95602
"805481"	627.1561	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M"	0
"978650"	608.13771	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-H2O-H"	-19.01839
"63975"	417.096790666667	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M-3H"	-3.021828
"504629"	626.148824	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M-3H"	-3.021828
"889727"	208.044757333333	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-3H"	-3.021828
"6115"	626.148824	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M-2H"	-2.014552
"446768"	939.726874	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M-2H"	-2.014552
"824568"	312.570774	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-2H"	-2.014552
"81642"	1253.304924	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M-H"	-1.007276
"520841"	1880.461024	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M-H"	-1.007276
"897913"	626.148824	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-H"	-1.007276
"56306"	1270.331471	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M-2H+NH4"	16.019271
"495867"	1897.487571	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M-2H+NH4"	16.019271
"875862"	643.175371	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-2H+NH4"	16.019271
"43762"	1275.286866	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M-2H+Na"	20.974666
"484413"	1902.442966	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M-2H+Na"	20.974666
"863920"	648.130766	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-2H+Na"	20.974666
"1631751"	648.130766	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Na-2H"	20.974666
"109825"	644.137163	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M-H+Cl"	33.962126
"544563"	957.715213	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M-H+Cl"	33.962126
"938075"	330.559113	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-H+Cl"	33.962126
"272256"	1289.281602	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+Cl"	34.969402
"666861"	1916.437702	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+Cl"	34.969402
"1281452"	662.125502	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Cl"	34.969402
"18904"	1291.260806	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M-2H+K"	36.948606
"459194"	1918.416906	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M-2H+K"	36.948606
"835904"	664.104706	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-2H+K"	36.948606
"1562674"	664.104706	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+K-2H"	36.948606
"951649"	672.154294	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-H+HCOOH"	44.998194
"375946"	1299.310401	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+HCOOH-H"	44.998201
"354843"	1313.326051	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+Hac-H"	59.013851
"1508276"	686.169951	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Hac-H"	59.013851
"965756"	694.136251	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-H+NaCOOH"	66.980151
"116848"	662.125502	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+2Cl"	69.938804
"556408"	975.703552	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+2Cl"	69.938804
"1034695"	348.547452	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2Cl"	69.938804
"1252448"	706.074985	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Br"	78.918885
"1316720"	708.130972	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Cl+HCOOH"	80.974872
"1333123"	730.112929	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Cl+NaCOOH"	102.956829
"925642"	740.141686	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M-H+CF3COOH"	112.985586
"1300161"	776.118364	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Cl+CF3COOH"	148.962264
"1375039"	592.143424	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H-2H2O"	-35.012676
"1389259"	610.1534	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H-H2O"	-17.0027
"288944"	1255.319476	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+H"	1.007276
"683551"	1882.475576	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+H"	1.007276
"1355527"	628.163376	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H"	1.007276
"129506"	628.163376	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+2H"	2.014552
"570161"	941.741426	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+2H"	2.014552
"1041874"	314.585326	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2H"	2.014552
"209054"	419.111342666667	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+3H"	3.021828
"651893"	628.163376	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+3H"	3.021828
"1170018"	210.059309333333	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+3H"	3.021828
"432196"	1272.346023	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+NH4"	18.033823
"793194"	1899.502123	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+NH4"	18.033823
"1686243"	645.189923	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+NH4"	18.033823
"335615"	636.6766495	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+H+NH4"	19.041099
"728038"	950.2546995	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+H+NH4"	19.041099
"1479670"	323.0985995	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H+NH4"	19.041099
"398350"	1277.301418	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+Na"	22.989218
"760439"	1904.457518	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+Na"	22.989218
"1604048"	650.145318	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Na"	22.989218
"315177"	639.154347	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+H+Na"	23.996494
"713190"	952.732397	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+H+Na"	23.996494
"1468104"	325.576297	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H+Na"	23.996494
"1052962"	217.386623333333	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2H+Na"	25.00377
"1258773"	660.189586	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+CH3OH+H"	33.033486
"377704"	1293.275358	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+K"	38.963158
"743692"	1920.431458	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+K"	38.963158
"1541732"	666.119258	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+K"	38.963158
"298631"	647.141317	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+H+K"	39.970434
"691933"	960.719367	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+H+K"	39.970434
"1445635"	333.563267	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H+K"	39.970434
"236293"	1296.346026	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+ACN+H"	42.033826
"1210176"	669.189926	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+ACN+H"	42.033826
"1194948"	335.098601	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+ACN+2H"	43.041102
"189399"	1299.28336	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+2Na-H"	44.97116
"632624"	1926.43946	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+2Na-H"	44.97116
"1135033"	672.12726	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2Na-H"	44.97116
"177233"	650.145318	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+2Na"	45.978436
"615331"	963.723368	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+2Na"	45.978436
"1119931"	336.567268	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2Na"	45.978436
"1400302"	224.713937333333	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H+2Na"	46.985712
"1432295"	674.168846	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H+HCOOH"	47.012746
"221993"	655.17834	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+3H2O+2H"	56.04448
"1510419"	688.22089	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+IsoProp+H"	61.06479
"414120"	658.132288	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+Na+K"	61.952376
"772194"	971.710338	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+Na+K"	61.952376
"1666464"	344.554238	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Na+K"	61.952376
"253345"	1318.327968	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+ACN+Na"	64.015768
"1228117"	691.171868	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+ACN+Na"	64.015768
"1714453"	691.195393	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+NH4+HCOOH"	64.039293
"1180905"	232.041251333333	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+3Na"	68.967654
"1651035"	696.150788	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Na+HCOOH"	68.994688
"157650"	1331.23124	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+2K-H"	76.91904
"597701"	1958.38734	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+2K-H"	76.91904
"1084642"	704.07514	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2K-H"	76.91904
"141740"	666.119258	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"2M+2K"	77.926316
"582236"	979.697308	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"3M+2K"	77.926316
"1069409"	352.541208	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2K"	77.926316
"1101420"	706.089692	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2K+H"	78.933592
"1349971"	706.177307	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+DMSO+H"	79.021207
"1020202"	710.216476	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2ACN+H"	83.060376
"1539302"	711.210108	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+IsoProp+Na+H"	84.054008
"1005025"	355.611876	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+2ACN+2H"	84.067652
"1601221"	712.124728	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+K+HCOOH"	84.968628
"1424813"	742.156238	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+H+CF3COOH"	115.000138
"1156195"	376.125151	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+3ACN+2H"	125.094202
"1700277"	759.182785	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+NH4+CF3COOH"	132.026685
"1643585"	764.13818	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+Na+CF3COOH"	136.98208
"1575955"	780.11212	"C20496"	"Delphinidin 37-di-O-beta-D-glucoside"	"C27H31O17"	"627.1561"	"M+K+CF3COOH"	152.95602
"805227"	1346.7698	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M"	0
"979853"	1327.75141	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-H2O-H"	-19.01839
"62862"	896.839257333333	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M-3H"	-3.021828
"503362"	1345.762524	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M-3H"	-3.021828
"890930"	447.915990666667	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-3H"	-3.021828
"2945"	1345.762524	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M-2H"	-2.014552
"445785"	2019.147424	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M-2H"	-2.014552
"822856"	672.377624	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-2H"	-2.014552
"82484"	2692.532324	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M-H"	-1.007276
"519858"	4039.302124	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M-H"	-1.007276
"896565"	1345.762524	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-H"	-1.007276
"56416"	2709.558871	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M-2H+NH4"	16.019271
"495977"	4056.328671	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M-2H+NH4"	16.019271
"875973"	1362.789071	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-2H+NH4"	16.019271
"46059"	2714.514266	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M-2H+Na"	20.974666
"486837"	4061.284066	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M-2H+Na"	20.974666
"860138"	1367.744466	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-2H+Na"	20.974666
"1632955"	1367.744466	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Na-2H"	20.974666
"109689"	1363.750863	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M-H+Cl"	33.962126
"545764"	2037.135763	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M-H+Cl"	33.962126
"934904"	690.365963	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-H+Cl"	33.962126
"272366"	2728.509002	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+Cl"	34.969402
"669157"	4075.278802	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+Cl"	34.969402
"1279375"	1381.739202	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Cl"	34.969402
"16827"	2730.488206	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M-2H+K"	36.948606
"459303"	4077.258006	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M-2H+K"	36.948606
"836014"	1383.718406	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-2H+K"	36.948606
"1563877"	1383.718406	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+K-2H"	36.948606
"948479"	1391.767994	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-H+HCOOH"	44.998194
"373989"	2738.537801	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+HCOOH-H"	44.998201
"356046"	2752.553451	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+Hac-H"	59.013851
"1507771"	1405.783651	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Hac-H"	59.013851
"964774"	1413.749951	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-H+NaCOOH"	66.980151
"118051"	1381.739202	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+2Cl"	69.938804
"555425"	2055.124102	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+2Cl"	69.938804
"1035533"	708.354302	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2Cl"	69.938804
"1254381"	1425.688685	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Br"	78.918885
"1319017"	1427.744672	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Cl+HCOOH"	80.974872
"1333233"	1449.726629	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Cl+NaCOOH"	102.956829
"926119"	1459.755386	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M-H+CF3COOH"	112.985586
"1301366"	1495.732064	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Cl+CF3COOH"	148.962264
"1375149"	1311.757124	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H-2H2O"	-35.012676
"1389369"	1329.7671	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H-H2O"	-17.0027
"289054"	2694.546876	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+H"	1.007276
"683661"	4041.316676	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+H"	1.007276
"1354544"	1347.777076	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H"	1.007276
"130711"	1347.777076	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+2H"	2.014552
"571364"	2021.161976	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+2H"	2.014552
"1040527"	674.392176	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2H"	2.014552
"210258"	898.853809333333	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+3H"	3.021828
"648723"	1347.777076	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+3H"	3.021828
"1170126"	449.930542666667	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+3H"	3.021828
"430115"	2711.573423	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+NH4"	18.033823
"791117"	4058.343223	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+NH4"	18.033823
"1682588"	1364.803623	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+NH4"	18.033823
"332084"	1356.2903495	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+H+NH4"	19.041099
"725598"	2029.6752495	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+H+NH4"	19.041099
"1480147"	682.9054495	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H+NH4"	19.041099
"402835"	2716.528818	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+Na"	22.989218
"758365"	4063.298618	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+Na"	22.989218
"1606103"	1369.759018	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Na"	22.989218
"315530"	1358.768047	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+H+Na"	23.996494
"710748"	2032.152947	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+H+Na"	23.996494
"1467122"	685.383147	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H+Na"	23.996494
"1057449"	457.257856666667	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2H+Na"	25.00377
"1257154"	1379.803286	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+CH3OH+H"	33.033486
"377211"	2732.502758	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+K"	38.963158
"740887"	4079.272558	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+K"	38.963158
"1541479"	1385.732958	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+K"	38.963158
"298726"	1366.755017	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+H+K"	39.970434
"692896"	2040.139917	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+H+K"	39.970434
"1445774"	693.370117	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H+K"	39.970434
"236039"	2735.573426	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+ACN+H"	42.033826
"1210083"	1388.803626	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+ACN+H"	42.033826
"1194369"	694.905451	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+ACN+2H"	43.041102
"189023"	2738.51076	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+2Na-H"	44.97116
"631278"	4085.28056	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+2Na-H"	44.97116
"1134417"	1391.74096	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2Na-H"	44.97116
"176615"	1369.759018	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+2Na"	45.978436
"614348"	2043.143918	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+2Na"	45.978436
"1120042"	696.374118	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2Na"	45.978436
"1400294"	464.585170666667	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H+2Na"	46.985712
"1431316"	1393.782546	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H+HCOOH"	47.012746
"222103"	1374.79204	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+3H2O+2H"	56.04448
"1509803"	1407.83459	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+IsoProp+H"	61.06479
"413136"	1377.745988	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+Na+K"	61.952376
"770851"	2051.130888	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+Na+K"	61.952376
"1666210"	704.361088	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Na+K"	61.952376
"254788"	2757.555368	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+ACN+Na"	64.015768
"1226771"	1410.785568	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+ACN+Na"	64.015768
"1714198"	1410.809093	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+NH4+HCOOH"	64.039293
"1180651"	471.912484666667	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+3Na"	68.967654
"1651389"	1415.764488	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Na+HCOOH"	68.994688
"158005"	2770.45864	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+2K-H"	76.91904
"597255"	4117.22844	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+2K-H"	76.91904
"1084426"	1423.68884	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2K-H"	76.91904
"141523"	1385.732958	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"2M+2K"	77.926316
"581412"	2059.117858	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"3M+2K"	77.926316
"1069030"	712.348058	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2K"	77.926316
"1101652"	1425.703392	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2K+H"	78.933592
"1351175"	1425.791007	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+DMSO+H"	79.021207
"1021041"	1429.830176	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2ACN+H"	83.060376
"1539413"	1430.823808	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+IsoProp+Na+H"	84.054008
"1004893"	715.418726	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+2ACN+2H"	84.067652
"1601088"	1431.738428	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+K+HCOOH"	84.968628
"1426016"	1461.769938	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+H+CF3COOH"	115.000138
"1156305"	735.932001	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+3ACN+2H"	125.094202
"1700387"	1478.796485	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+NH4+CF3COOH"	132.026685
"1643695"	1483.75188	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+Na+CF3COOH"	136.98208
"1576065"	1499.72582	"C20497"	"N-Acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA;Lipid II"	"C71H116N2O18P2"	"1346.7698"	"M+K+CF3COOH"	152.95602
"805337"	1533.8543	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M"	0
"985432"	1514.83591	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-H2O-H"	-19.01839
"63831"	1021.56225733333	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M-3H"	-3.021828
"504485"	1532.847024	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M-3H"	-3.021828
"886665"	510.277490666667	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-3H"	-3.021828
"5242"	1532.847024	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M-2H"	-2.014552
"446989"	2299.774174	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M-2H"	-2.014552
"823694"	765.919874	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-2H"	-2.014552
"85873"	3066.701324	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M-H"	-1.007276
"519603"	4600.555624	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M-H"	-1.007276
"896675"	1532.847024	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-H"	-1.007276
"55433"	3083.727871	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M-2H+NH4"	16.019271
"496087"	4617.582171	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M-2H+NH4"	16.019271
"878269"	1549.873571	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-2H+NH4"	16.019271
"42889"	3088.683266	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M-2H+Na"	20.974666
"486214"	4622.537566	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M-2H+Na"	20.974666
"856968"	1554.828966	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-2H+Na"	20.974666
"1634083"	1554.828966	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Na-2H"	20.974666
"109555"	1550.835363	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M-H+Cl"	33.962126
"545874"	2317.762513	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M-H+Cl"	33.962126
"931734"	783.908213	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-H+Cl"	33.962126
"272476"	3102.678002	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+Cl"	34.969402
"668174"	4636.532302	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+Cl"	34.969402
"1276206"	1568.823702	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Cl"	34.969402
"17667"	3104.657206	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M-2H+K"	36.948606
"459413"	4638.511506	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M-2H+K"	36.948606
"835030"	1570.802906	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-2H+K"	36.948606
"1560707"	1570.802906	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+K-2H"	36.948606
"947496"	1578.852494	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-H+HCOOH"	44.998194
"374463"	3112.706801	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+HCOOH-H"	44.998201
"355062"	3126.722451	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+Hac-H"	59.013851
"1508258"	1592.868151	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Hac-H"	59.013851
"964884"	1600.834451	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-H+NaCOOH"	66.980151
"117069"	1568.823702	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+2Cl"	69.938804
"554443"	2335.750852	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+2Cl"	69.938804
"1035282"	801.896552	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2Cl"	69.938804
"1254491"	1612.773185	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Br"	78.918885
"1314022"	1614.829172	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Cl+HCOOH"	80.974872
"1331519"	1636.811129	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Cl+NaCOOH"	102.956829
"924039"	1646.839886	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M-H+CF3COOH"	112.985586
"1299288"	1682.816564	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Cl+CF3COOH"	148.962264
"1379636"	1498.841624	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H-2H2O"	-35.012676
"1388383"	1516.8516	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H-H2O"	-17.0027
"290256"	3068.715876	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+H"	1.007276
"679396"	4602.570176	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+H"	1.007276
"1356840"	1534.861576	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H"	1.007276
"129728"	1534.861576	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+2H"	2.014552
"568192"	2301.788726	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+2H"	2.014552
"1040274"	767.934426	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2H"	2.014552
"212555"	1023.57680933333	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+3H"	3.021828
"647740"	1534.861576	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+3H"	3.021828
"1166592"	512.292042666667	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+3H"	3.021828
"429133"	3085.742423	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+NH4"	18.033823
"791227"	4619.596723	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+NH4"	18.033823
"1683187"	1551.888123	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+NH4"	18.033823
"333653"	1543.3748495	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+H+NH4"	19.041099
"727167"	2310.3019995	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+H+NH4"	19.041099
"1484267"	776.4476995	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H+NH4"	19.041099
"399666"	3090.697818	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+Na"	22.989218
"759569"	4624.552118	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+Na"	22.989218
"1606578"	1556.843518	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Na"	22.989218
"314911"	1545.852547	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+H+Na"	23.996494
"708793"	2312.779697	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+H+Na"	23.996494
"1467233"	778.925397	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H+Na"	23.996494
"1056830"	519.619356666667	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2H+Na"	25.00377
"1257065"	1566.887786	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+CH3OH+H"	33.033486
"377273"	3106.671758	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+K"	38.963158
"742820"	4640.526058	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+K"	38.963158
"1542317"	1572.817458	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+K"	38.963158
"298958"	1553.839517	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+H+K"	39.970434
"692641"	2320.766667	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+H+K"	39.970434
"1446131"	786.912367	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H+K"	39.970434
"235808"	3109.742426	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+ACN+H"	42.033826
"1210275"	1575.888126	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+ACN+H"	42.033826
"1194803"	788.447701	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+ACN+2H"	43.041102
"189259"	3112.67976	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+2Na-H"	44.97116
"628708"	4646.53406	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+2Na-H"	44.97116
"1135255"	1578.82546	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2Na-H"	44.97116
"173805"	1556.843518	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+2Na"	45.978436
"613365"	2323.770668	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+2Na"	45.978436
"1116622"	789.916368	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2Na"	45.978436
"1398942"	526.946670666667	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H+2Na"	46.985712
"1430079"	1580.867046	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H+HCOOH"	47.012746
"220017"	1561.87654	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+3H2O+2H"	56.04448
"1508626"	1594.91909	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+IsoProp+H"	61.06479
"410328"	1564.830488	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+Na+K"	61.952376
"770347"	2331.757638	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+Na+K"	61.952376
"1665603"	797.903338	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Na+K"	61.952376
"253440"	3131.724368	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+ACN+Na"	64.015768
"1226522"	1597.870068	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+ACN+Na"	64.015768
"1714189"	1597.893593	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+NH4+HCOOH"	64.039293
"1180394"	534.273984666667	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+3Na"	68.967654
"1649870"	1602.848988	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Na+HCOOH"	68.994688
"157332"	3144.62764	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+2K-H"	76.91904
"597345"	4678.48194	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+2K-H"	76.91904
"1084288"	1610.77334	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2K-H"	76.91904
"141545"	1572.817458	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"2M+2K"	77.926316
"581628"	2339.744608	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"3M+2K"	77.926316
"1068732"	805.890308	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2K"	77.926316
"1100911"	1612.787892	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2K+H"	78.933592
"1351122"	1612.875507	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+DMSO+H"	79.021207
"1020664"	1616.914676	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2ACN+H"	83.060376
"1539753"	1617.908308	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+IsoProp+Na+H"	84.054008
"1005117"	808.960976	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+2ACN+2H"	84.067652
"1598282"	1618.822928	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+K+HCOOH"	84.968628
"1419566"	1648.854438	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+H+CF3COOH"	115.000138
"1152040"	829.474251	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+3ACN+2H"	125.094202
"1699404"	1665.880985	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+NH4+CF3COOH"	132.026685
"1643805"	1670.83638	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+Na+CF3COOH"	136.98208
"1575082"	1686.81032	"C20498"	"4-Acetamido-46-dideoxy-alpha-D-galactosyl-(1-4)-N-acetyl-beta-D-mannosaminuronosyl-(1-4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditransoctacis-undecaprenol;Und-PP-GlcNAc-ManNAcA-Fuc4NAc;Lipid III"	"C79H129N3O22P2"	"1533.8543"	"M+K+CF3COOH"	152.95602
"802288"	372.1209	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M"	0
"984448"	353.10251	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-H2O-H"	-19.01839
"64305"	247.073324	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M-3H"	-3.021828
"504595"	371.113624	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M-3H"	-3.021828
"884589"	123.033024	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-3H"	-3.021828
"2435"	371.113624	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M-2H"	-2.014552
"443818"	557.174074	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M-2H"	-2.014552
"821618"	185.053174	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-2H"	-2.014552
"82701"	743.234524	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M-H"	-1.007276
"518741"	1115.355424	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M-H"	-1.007276
"895972"	371.113624	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-H"	-1.007276
"52263"	760.261071	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M-2H+NH4"	16.019271
"496196"	1132.381971	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M-2H+NH4"	16.019271
"878019"	388.140171	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-2H+NH4"	16.019271
"41905"	765.216466	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M-2H+Na"	20.974666
"484743"	1137.337366	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M-2H+Na"	20.974666
"857078"	393.095566	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-2H+Na"	20.974666
"1627705"	393.095566	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Na-2H"	20.974666
"108856"	389.101963	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M-H+Cl"	33.962126
"544891"	575.162413	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M-H+Cl"	33.962126
"931844"	203.041513	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-H+Cl"	33.962126
"272586"	779.211202	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+Cl"	34.969402
"668284"	1151.332102	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+Cl"	34.969402
"1276315"	407.090302	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Cl"	34.969402
"18871"	781.190406	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M-2H+K"	36.948606
"456565"	1153.311306	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M-2H+K"	36.948606
"833679"	409.069506	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-2H+K"	36.948606
"1557537"	409.069506	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+K-2H"	36.948606
"945419"	417.119094	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-H+HCOOH"	44.998194
"372385"	789.240001	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+HCOOH-H"	44.998201
"352985"	803.255651	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+Hac-H"	59.013851
"1506936"	431.134751	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Hac-H"	59.013851
"967181"	439.101051	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-H+NaCOOH"	66.980151
"121555"	407.090302	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+2Cl"	69.938804
"553461"	593.150752	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+2Cl"	69.938804
"1035757"	221.029852	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2Cl"	69.938804
"1256063"	451.039785	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Br"	78.918885
"1318876"	453.095772	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Cl+HCOOH"	80.974872
"1333089"	475.077729	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Cl+NaCOOH"	102.956829
"922689"	485.106486	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M-H+CF3COOH"	112.985586
"1295752"	521.083164	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Cl+CF3COOH"	148.962264
"1379746"	337.108224	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H-2H2O"	-35.012676
"1388493"	355.1182	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H-H2O"	-17.0027
"288181"	745.249076	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+H"	1.007276
"681693"	1117.369976	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+H"	1.007276
"1355857"	373.128176	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H"	1.007276
"128745"	373.128176	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+2H"	2.014552
"567573"	559.188626	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+2H"	2.014552
"1041477"	187.067726	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2H"	2.014552
"209385"	249.087876	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+3H"	3.021828
"650036"	373.128176	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+3H"	3.021828
"1167067"	125.047576	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+3H"	3.021828
"429242"	762.275623	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+NH4"	18.033823
"788056"	1134.396523	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+NH4"	18.033823
"1681592"	390.154723	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+NH4"	18.033823
"331332"	381.6414495	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+H+NH4"	19.041099
"724725"	567.7018995	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+H+NH4"	19.041099
"1484376"	195.5809995	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H+NH4"	19.041099
"395401"	767.231018	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+Na"	22.989218
"760772"	1139.351918	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+Na"	22.989218
"1606688"	395.110118	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Na"	22.989218
"314494"	384.119147	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+H+Na"	23.996494
"710242"	570.179597	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+H+Na"	23.996494
"1466250"	198.058697	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H+Na"	23.996494
"1055847"	132.37489	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2H+Na"	25.00377
"1257515"	405.154386	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+CH3OH+H"	33.033486
"377544"	783.204958	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+K"	38.963158
"742930"	1155.325858	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+K"	38.963158
"1540280"	411.084058	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+K"	38.963158
"299109"	392.106117	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+H+K"	39.970434
"691691"	578.166567	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+H+K"	39.970434
"1446565"	206.045667	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H+K"	39.970434
"236747"	786.275626	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+ACN+H"	42.033826
"1210665"	414.154726	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+ACN+H"	42.033826
"1195769"	207.581001	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+ACN+2H"	43.041102
"189118"	789.21296	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+2Na-H"	44.97116
"629777"	1161.33386	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+2Na-H"	44.97116
"1131792"	417.09206	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2Na-H"	44.97116
"173266"	395.110118	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+2Na"	45.978436
"614200"	581.170568	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+2Na"	45.978436
"1116975"	209.049668	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2Na"	45.978436
"1399784"	139.702204	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H+2Na"	46.985712
"1430025"	419.133646	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H+HCOOH"	47.012746
"221708"	400.14314	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+3H2O+2H"	56.04448
"1508841"	433.18569	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+IsoProp+H"	61.06479
"409220"	403.097088	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+Na+K"	61.952376
"770170"	589.157538	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+Na+K"	61.952376
"1665650"	217.036638	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Na+K"	61.952376
"252129"	808.257568	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+ACN+Na"	64.015768
"1226870"	436.136668	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+ACN+Na"	64.015768
"1714054"	436.160193	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+NH4+HCOOH"	64.039293
"1179408"	147.029518	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+3Na"	68.967654
"1650631"	441.115588	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Na+HCOOH"	68.994688
"157226"	821.16084	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+2K-H"	76.91904
"597454"	1193.28174	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+2K-H"	76.91904
"1084356"	449.03994	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2K-H"	76.91904
"141696"	411.084058	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"2M+2K"	77.926316
"581944"	597.144508	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"3M+2K"	77.926316
"1069252"	225.023608	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2K"	77.926316
"1101385"	451.054492	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2K+H"	78.933592
"1342031"	451.142107	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+DMSO+H"	79.021207
"1020856"	455.181276	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2ACN+H"	83.060376
"1539791"	456.174908	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+IsoProp+Na+H"	84.054008
"1004376"	228.094276	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+2ACN+2H"	84.067652
"1601670"	457.089528	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+K+HCOOH"	84.968628
"1419676"	487.121038	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+H+CF3COOH"	115.000138
"1149963"	248.607551	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+3ACN+2H"	125.094202
"1700608"	504.147585	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+NH4+CF3COOH"	132.026685
"1643915"	509.10298	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+Na+CF3COOH"	136.98208
"1575192"	525.07692	"C20499"	"(1S)-Averantin;1368-Tetrahydroxy-(1S)-2-hydroxyhexyl-910-anthraquinone"	"C20H20O7"	"372.1209"	"M+K+CF3COOH"	152.95602
"805557"	388.1158	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M"	0
"982371"	369.09741	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H2O-H"	-19.01839
"72801"	257.736590666667	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-3H"	-3.021828
"515642"	387.108524	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-3H"	-3.021828
"884699"	128.364657333333	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-3H"	-3.021828
"5462"	387.108524	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H"	-2.014552
"448301"	581.166424	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H"	-2.014552
"831569"	193.050624	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H"	-2.014552
"92654"	775.224324	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-H"	-1.007276
"521280"	1163.340124	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-H"	-1.007276
"897986"	387.108524	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H"	-1.007276
"53466"	792.250871	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H+NH4"	16.019271
"493026"	1180.366671	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H+NH4"	16.019271
"876302"	404.135071	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H+NH4"	16.019271
"42016"	797.206266	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H+Na"	20.974666
"479386"	1185.322066	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H+Na"	20.974666
"850626"	409.090466	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H+Na"	20.974666
"1622347"	409.090466	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na-2H"	20.974666
"95227"	405.096863	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-H+Cl"	33.962126
"543908"	599.154763	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-H+Cl"	33.962126
"931954"	211.038963	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+Cl"	33.962126
"268323"	811.201002	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Cl"	34.969402
"660176"	1199.316802	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+Cl"	34.969402
"1273268"	423.085202	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl"	34.969402
"17158"	813.180206	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H+K"	36.948606
"457449"	1201.296006	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H+K"	36.948606
"833262"	425.064406	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H+K"	36.948606
"1557647"	425.064406	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K-2H"	36.948606
"945530"	433.113994	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+HCOOH"	44.998194
"372495"	821.229801	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+HCOOH-H"	44.998201
"359668"	835.245451	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Hac-H"	59.013851
"1506318"	447.129651	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Hac-H"	59.013851
"967291"	455.095951	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+NaCOOH"	66.980151
"119478"	423.085202	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2Cl"	69.938804
"555757"	617.143102	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2Cl"	69.938804
"1036231"	229.027302	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2Cl"	69.938804
"1256174"	467.034685	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Br"	78.918885
"1318622"	469.090672	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl+HCOOH"	80.974872
"1332107"	491.072629	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl+NaCOOH"	102.956829
"922435"	501.101386	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+CF3COOH"	112.985586
"1296226"	537.078064	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl+CF3COOH"	148.962264
"1375481"	353.103124	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H-2H2O"	-35.012676
"1390791"	371.1131	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H-H2O"	-17.0027
"290476"	777.238876	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H"	1.007276
"681802"	1165.354676	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H"	1.007276
"1355968"	389.123076	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H"	1.007276
"129949"	389.123076	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2H"	2.014552
"569509"	583.180976	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2H"	2.014552
"1040858"	195.065176	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2H"	2.014552
"209495"	259.751142666667	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+3H"	3.021828
"650147"	389.123076	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+3H"	3.021828
"1167177"	130.379209333333	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+3H"	3.021828
"429353"	794.265423	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+NH4"	18.033823
"790353"	1182.381223	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+NH4"	18.033823
"1683040"	406.149623	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+NH4"	18.033823
"332047"	397.6363495	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H+NH4"	19.041099
"724470"	591.6942495	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H+NH4"	19.041099
"1481206"	203.5784495	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+NH4"	19.041099
"395510"	799.220818	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Na"	22.989218
"760882"	1187.336618	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+Na"	22.989218
"1603757"	411.105018	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na"	22.989218
"314888"	400.114047	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H+Na"	23.996494
"711445"	594.171947	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H+Na"	23.996494
"1466360"	206.056147	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+Na"	23.996494
"1056322"	137.706523333333	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2H+Na"	25.00377
"1257995"	421.149286	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+CH3OH+H"	33.033486
"377334"	815.194758	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+K"	38.963158
"743039"	1203.310558	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+K"	38.963158
"1544360"	427.078958	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K"	38.963158
"299345"	408.101017	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H+K"	39.970434
"692251"	602.158917	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H+K"	39.970434
"1447775"	214.043117	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+K"	39.970434
"239293"	818.265426	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+ACN+H"	42.033826
"1211515"	430.149626	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+ACN+H"	42.033826
"1198073"	215.578451	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+ACN+2H"	43.041102
"190213"	821.20276	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2Na-H"	44.97116
"631595"	1209.31856	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2Na-H"	44.97116
"1132910"	433.08696	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2Na-H"	44.97116
"174387"	411.105018	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2Na"	45.978436
"614066"	605.162918	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2Na"	45.978436
"1117816"	217.047118	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2Na"	45.978436
"1399887"	145.033837333333	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+2Na"	46.985712
"1431272"	435.128546	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+HCOOH"	47.012746
"220973"	416.13804	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+3H2O+2H"	56.04448
"1509762"	449.18059	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+IsoProp+H"	61.06479
"409005"	419.091988	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Na+K"	61.952376
"771293"	613.149888	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+Na+K"	61.952376
"1666325"	225.034088	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na+K"	61.952376
"252930"	840.247368	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+ACN+Na"	64.015768
"1226738"	452.131568	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+ACN+Na"	64.015768
"1713800"	452.155093	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+NH4+HCOOH"	64.039293
"1180247"	152.361151333333	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+3Na"	68.967654
"1650987"	457.110488	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na+HCOOH"	68.994688
"157521"	853.15064	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2K-H"	76.91904
"597770"	1241.26644	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2K-H"	76.91904
"1084347"	465.03484	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2K-H"	76.91904
"142621"	427.078958	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2K"	77.926316
"581939"	621.136858	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2K"	77.926316
"1068918"	233.021058	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2K"	77.926316
"1100761"	467.049392	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2K+H"	78.933592
"1344328"	467.137007	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+DMSO+H"	79.021207
"1017235"	471.176176	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2ACN+H"	83.060376
"1539137"	472.169808	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+IsoProp+Na+H"	84.054008
"1003635"	236.091726	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2ACN+2H"	84.067652
"1598500"	473.084428	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K+HCOOH"	84.968628
"1425252"	503.115938	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+CF3COOH"	115.000138
"1156631"	256.605001	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+3ACN+2H"	125.094202
"1703996"	520.142485	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+NH4+CF3COOH"	132.026685
"1639649"	525.09788	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na+CF3COOH"	136.98208
"1572748"	541.07182	"C20500"	"(1S5S)-5-Hydroxyaverantin;(1S5S)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K+CF3COOH"	152.95602
"811135"	388.1158	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M"	0
"989043"	369.09741	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H2O-H"	-19.01839
"78326"	257.736590666667	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-3H"	-3.021828
"518265"	387.108524	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-3H"	-3.021828
"888091"	128.364657333333	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-3H"	-3.021828
"11039"	387.108524	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H"	-2.014552
"454974"	581.166424	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H"	-2.014552
"830955"	193.050624	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H"	-2.014552
"90579"	775.224324	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-H"	-1.007276
"521393"	1163.340124	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-H"	-1.007276
"898099"	387.108524	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H"	-1.007276
"59044"	792.250871	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H+NH4"	16.019271
"496417"	1180.366671	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H+NH4"	16.019271
"878110"	404.135071	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H+NH4"	16.019271
"43219"	797.206266	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H+Na"	20.974666
"483871"	1185.322066	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H+Na"	20.974666
"858393"	409.090466	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H+Na"	20.974666
"1627925"	409.090466	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na-2H"	20.974666
"97891"	405.096863	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-H+Cl"	33.962126
"542921"	599.154763	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-H+Cl"	33.962126
"929876"	211.038963	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+Cl"	33.962126
"269158"	811.201002	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Cl"	34.969402
"661455"	1199.316802	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+Cl"	34.969402
"1274833"	423.085202	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl"	34.969402
"18001"	813.180206	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M-2H+K"	36.948606
"461935"	1201.296006	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M-2H+K"	36.948606
"836455"	425.064406	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-2H+K"	36.948606
"1570518"	425.064406	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K-2H"	36.948606
"958040"	433.113994	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+HCOOH"	44.998194
"375886"	821.229801	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+HCOOH-H"	44.998201
"360019"	835.245451	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Hac-H"	59.013851
"1506424"	447.129651	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Hac-H"	59.013851
"968494"	455.095951	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+NaCOOH"	66.980151
"120682"	423.085202	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2Cl"	69.938804
"563521"	617.143102	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2Cl"	69.938804
"1036470"	229.027302	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2Cl"	69.938804
"1256870"	467.034685	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Br"	78.918885
"1318002"	469.090672	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl+HCOOH"	80.974872
"1330393"	491.072629	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl+NaCOOH"	102.956829
"920358"	501.101386	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M-H+CF3COOH"	112.985586
"1294150"	537.078064	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Cl+CF3COOH"	148.962264
"1377415"	353.103124	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H-2H2O"	-35.012676
"1392725"	371.1131	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H-H2O"	-17.0027
"293140"	777.238876	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H"	1.007276
"684830"	1165.354676	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H"	1.007276
"1356078"	389.123076	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H"	1.007276
"131154"	389.123076	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2H"	2.014552
"572900"	583.180976	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2H"	2.014552
"1043885"	195.065176	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2H"	2.014552
"214708"	259.751142666667	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+3H"	3.021828
"648070"	389.123076	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+3H"	3.021828
"1166558"	130.379209333333	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+3H"	3.021828
"428371"	794.265423	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+NH4"	18.033823
"793744"	1182.381223	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+NH4"	18.033823
"1683878"	406.149623	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+NH4"	18.033823
"333981"	397.6363495	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H+NH4"	19.041099
"724579"	591.6942495	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H+NH4"	19.041099
"1479492"	203.5784495	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+NH4"	19.041099
"397079"	799.220818	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Na"	22.989218
"756619"	1187.336618	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+Na"	22.989218
"1608000"	411.105018	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na"	22.989218
"318038"	400.114047	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H+Na"	23.996494
"712650"	594.171947	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H+Na"	23.996494
"1467564"	206.056147	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+Na"	23.996494
"1056432"	137.706523333333	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2H+Na"	25.00377
"1258230"	421.149286	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+CH3OH+H"	33.033486
"378988"	815.194758	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+K"	38.963158
"741327"	1203.310558	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+K"	38.963158
"1544470"	427.078958	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K"	38.963158
"300551"	408.101017	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+H+K"	39.970434
"693334"	602.158917	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+H+K"	39.970434
"1447885"	214.043117	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+K"	39.970434
"239405"	818.265426	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+ACN+H"	42.033826
"1211020"	430.149626	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+ACN+H"	42.033826
"1195266"	215.578451	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+ACN+2H"	43.041102
"190563"	821.20276	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2Na-H"	44.97116
"630614"	1209.31856	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2Na-H"	44.97116
"1134114"	433.08696	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2Na-H"	44.97116
"174744"	411.105018	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2Na"	45.978436
"619168"	605.162918	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2Na"	45.978436
"1118054"	217.047118	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2Na"	45.978436
"1399028"	145.033837333333	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+2Na"	46.985712
"1430776"	435.128546	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+HCOOH"	47.012746
"221078"	416.13804	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+3H2O+2H"	56.04448
"1510609"	449.18059	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+IsoProp+H"	61.06479
"411389"	419.091988	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+Na+K"	61.952376
"770107"	613.149888	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+Na+K"	61.952376
"1667623"	225.034088	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na+K"	61.952376
"251587"	840.247368	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+ACN+Na"	64.015768
"1226034"	452.131568	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+ACN+Na"	64.015768
"1713426"	452.155093	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+NH4+HCOOH"	64.039293
"1179632"	152.361151333333	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+3Na"	68.967654
"1650492"	457.110488	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na+HCOOH"	68.994688
"159057"	853.15064	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2K-H"	76.91904
"597316"	1241.26644	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2K-H"	76.91904
"1084459"	465.03484	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2K-H"	76.91904
"141555"	427.078958	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"2M+2K"	77.926316
"581425"	621.136858	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"3M+2K"	77.926316
"1068554"	233.021058	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2K"	77.926316
"1100510"	467.049392	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2K+H"	78.933592
"1344438"	467.137007	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+DMSO+H"	79.021207
"1016252"	471.176176	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2ACN+H"	83.060376
"1533284"	472.169808	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+IsoProp+Na+H"	84.054008
"998637"	236.091726	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+2ACN+2H"	84.067652
"1594231"	473.084428	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K+HCOOH"	84.968628
"1423175"	503.115938	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+H+CF3COOH"	115.000138
"1153461"	256.605001	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+3ACN+2H"	125.094202
"1700825"	520.142485	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+NH4+CF3COOH"	132.026685
"1644130"	525.09788	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+Na+CF3COOH"	136.98208
"1572493"	541.07182	"C20501"	"(1S5R)-5-Hydroxyaverantin;(1S5R)-Hydroxyaverantin"	"C20H20O8"	"388.1158"	"M+K+CF3COOH"	152.95602
"815257"	386.1002	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M"	0
"987699"	367.08181	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-H2O-H"	-19.01839
"75212"	256.392857333333	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M-3H"	-3.021828
"515863"	385.092924	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M-3H"	-3.021828
"882733"	127.692790666667	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-3H"	-3.021828
"8962"	385.092924	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M-2H"	-2.014552
"444149"	578.143024	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M-2H"	-2.014552
"826325"	192.042824	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-2H"	-2.014552
"89595"	771.193124	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M-H"	-1.007276
"520041"	1157.293324	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M-H"	-1.007276
"896382"	385.092924	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-H"	-1.007276
"59154"	788.219671	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M-2H+NH4"	16.019271
"493246"	1174.319871	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M-2H+NH4"	16.019271
"873239"	402.119471	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-2H+NH4"	16.019271
"43330"	793.175066	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M-2H+Na"	20.974666
"482525"	1179.275266	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M-2H+Na"	20.974666
"856316"	407.074866	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-2H+Na"	20.974666
"1628035"	407.074866	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Na-2H"	20.974666
"105659"	403.081263	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M-H+Cl"	33.962126
"541938"	596.131363	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M-H+Cl"	33.962126
"929984"	210.031163	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-H+Cl"	33.962126
"268660"	807.169802	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+Cl"	34.969402
"660835"	1193.270002	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+Cl"	34.969402
"1273199"	421.069602	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Cl"	34.969402
"16082"	809.149006	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M-2H+K"	36.948606
"456088"	1195.249206	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M-2H+K"	36.948606
"836928"	423.048806	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-2H+K"	36.948606
"1570634"	423.048806	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+K-2H"	36.948606
"958151"	431.098394	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-H+HCOOH"	44.998194
"376362"	817.198601	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+HCOOH-H"	44.998201
"360735"	831.214251	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+Hac-H"	59.013851
"1506534"	445.114051	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Hac-H"	59.013851
"971157"	453.080351	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-H+NaCOOH"	66.980151
"120792"	421.069602	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+2Cl"	69.938804
"563267"	614.119702	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+2Cl"	69.938804
"1029153"	228.019502	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2Cl"	69.938804
"1256849"	465.019085	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Br"	78.918885
"1318476"	467.075072	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Cl+HCOOH"	80.974872
"1330503"	489.057029	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Cl+NaCOOH"	102.956829
"925208"	499.085786	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M-H+CF3COOH"	112.985586
"1300093"	535.062464	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Cl+CF3COOH"	148.962264
"1376797"	351.087524	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H-2H2O"	-35.012676
"1389919"	369.0975	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H-H2O"	-17.0027
"288512"	773.207676	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+H"	1.007276
"678747"	1159.307876	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+H"	1.007276
"1360566"	387.107476	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H"	1.007276
"133089"	387.107476	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+2H"	2.014552
"570824"	580.157576	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+2H"	2.014552
"1041082"	194.057376	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2H"	2.014552
"215911"	258.407409333333	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+3H"	3.021828
"648180"	387.107476	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+3H"	3.021828
"1166304"	129.707342666667	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+3H"	3.021828
"429574"	790.234223	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+NH4"	18.033823
"792761"	1176.334423	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+NH4"	18.033823
"1683627"	404.134023	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+NH4"	18.033823
"330162"	395.6207495	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+H+NH4"	19.041099
"724689"	588.6708495	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+H+NH4"	19.041099
"1480333"	202.5706495	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H+NH4"	19.041099
"394638"	795.189618	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+Na"	22.989218
"760011"	1181.289818	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+Na"	22.989218
"1608110"	409.089418	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Na"	22.989218
"321431"	398.098447	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+H+Na"	23.996494
"710938"	591.148547	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+H+Na"	23.996494
"1467674"	205.048347	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H+Na"	23.996494
"1054720"	137.034656666667	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2H+Na"	25.00377
"1257975"	419.133686	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+CH3OH+H"	33.033486
"378855"	811.163558	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+K"	38.963158
"741073"	1197.263758	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+K"	38.963158
"1543852"	425.063358	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+K"	38.963158
"301390"	406.085417	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+H+K"	39.970434
"694175"	599.135517	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+H+K"	39.970434
"1447998"	213.035317	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H+K"	39.970434
"240609"	814.234226	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+ACN+H"	42.033826
"1210641"	428.134026	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+ACN+H"	42.033826
"1196829"	214.570651	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+ACN+2H"	43.041102
"191165"	817.17156	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+2Na-H"	44.97116
"631085"	1203.27176	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+2Na-H"	44.97116
"1132770"	431.07136	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2Na-H"	44.97116
"174978"	409.089418	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+2Na"	45.978436
"615998"	602.139518	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+2Na"	45.978436
"1117314"	216.039318	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2Na"	45.978436
"1398513"	144.361970666667	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H+2Na"	46.985712
"1432230"	433.112946	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H+HCOOH"	47.012746
"220341"	414.12244	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+3H2O+2H"	56.04448
"1514002"	447.16499	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+IsoProp+H"	61.06479
"412595"	417.076388	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+Na+K"	61.952376
"772131"	610.126488	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+Na+K"	61.952376
"1667368"	224.026288	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Na+K"	61.952376
"251941"	836.216168	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+ACN+Na"	64.015768
"1229149"	450.115968	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+ACN+Na"	64.015768
"1716942"	450.139493	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+NH4+HCOOH"	64.039293
"1179135"	151.689284666667	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+3Na"	68.967654
"1650847"	455.094888	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Na+HCOOH"	68.994688
"159046"	849.11944	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+2K-H"	76.91904
"597115"	1235.21964	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+2K-H"	76.91904
"1084286"	463.01924	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2K-H"	76.91904
"141539"	425.063358	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"2M+2K"	77.926316
"581626"	618.113458	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"3M+2K"	77.926316
"1068546"	232.013258	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2K"	77.926316
"1103786"	465.033792	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2K+H"	78.933592
"1350019"	465.121407	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+DMSO+H"	79.021207
"1015269"	469.160576	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2ACN+H"	83.060376
"1530114"	470.154208	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+IsoProp+Na+H"	84.054008
"999841"	235.083926	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+2ACN+2H"	84.067652
"1595434"	471.068828	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+K+HCOOH"	84.968628
"1423285"	501.100338	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+H+CF3COOH"	115.000138
"1152480"	255.597201	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+3ACN+2H"	125.094202
"1700207"	518.126885	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+NH4+CF3COOH"	132.026685
"1640963"	523.08228	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+Na+CF3COOH"	136.98208
"1578801"	539.05622	"C20502"	"5-Oxoaverantin;1368-Tetrahydroxy-2-(1S)-1-hydroxy-5-oxohexylanthracene-910-dione"	"C20H18O8"	"386.1002"	"M+K+CF3COOH"	152.95602
"814639"	384.0845	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M"	0
"984894"	365.06611	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-H2O-H"	-19.01839
"75320"	255.049057333333	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M-3H"	-3.021828
"514883"	383.077224	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M-3H"	-3.021828
"881748"	127.020890666667	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-3H"	-3.021828
"444"	383.077224	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M-2H"	-2.014552
"447539"	575.119474	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M-2H"	-2.014552
"824246"	191.034974	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-2H"	-2.014552
"83147"	767.161724	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M-H"	-1.007276
"520152"	1151.246224	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M-H"	-1.007276
"897951"	383.077224	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-H"	-1.007276
"55984"	784.188271	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M-2H+NH4"	16.019271
"491169"	1168.272771	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M-2H+NH4"	16.019271
"873349"	400.103771	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-2H+NH4"	16.019271
"40160"	789.143666	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M-2H+Na"	20.974666
"475345"	1173.228166	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M-2H+Na"	20.974666
"854239"	405.059166	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-2H+Na"	20.974666
"1628145"	405.059166	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Na-2H"	20.974666
"101395"	401.065563	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M-H+Cl"	33.962126
"538768"	593.107813	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M-H+Cl"	33.962126
"930094"	209.023313	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-H+Cl"	33.962126
"268040"	803.138402	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+Cl"	34.969402
"660579"	1187.222902	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+Cl"	34.969402
"1273759"	419.053902	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Cl"	34.969402
"18216"	805.117606	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M-2H+K"	36.948606
"458870"	1189.202106	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M-2H+K"	36.948606
"835579"	421.033106	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-2H+K"	36.948606
"1571143"	421.033106	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+K-2H"	36.948606
"958138"	429.082694	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-H+HCOOH"	44.998194
"372826"	813.167201	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+HCOOH-H"	44.998201
"359628"	827.182851	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+Hac-H"	59.013851
"1505914"	443.098351	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Hac-H"	59.013851
"968715"	451.064651	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-H+NaCOOH"	66.980151
"115435"	419.053902	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+2Cl"	69.938804
"562648"	611.096152	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+2Cl"	69.938804
"1036795"	227.011652	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2Cl"	69.938804
"1255900"	463.003385	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Br"	78.918885
"1316763"	465.059372	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Cl+HCOOH"	80.974872
"1328790"	487.041329	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Cl+NaCOOH"	102.956829
"919850"	497.070086	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M-H+CF3COOH"	112.985586
"1292183"	533.046764	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Cl+CF3COOH"	148.962264
"1371440"	349.071824	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H-2H2O"	-35.012676
"1384561"	367.0818	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H-H2O"	-17.0027
"284247"	769.176276	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+H"	1.007276
"677762"	1153.260776	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+H"	1.007276
"1360676"	385.091776	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H"	1.007276
"130283"	385.091776	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+2H"	2.014552
"569841"	577.134026	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+2H"	2.014552
"1040828"	193.049526	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2H"	2.014552
"209824"	257.063609333333	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+3H"	3.021828
"648290"	385.091776	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+3H"	3.021828
"1163498"	129.035442666667	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+3H"	3.021828
"427499"	786.202823	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+NH4"	18.033823
"792870"	1170.287323	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+NH4"	18.033823
"1687017"	402.118323	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+NH4"	18.033823
"331287"	393.6050495	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+H+NH4"	19.041099
"724800"	585.6472995	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+H+NH4"	19.041099
"1479713"	201.5627995	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H+NH4"	19.041099
"395113"	791.158218	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+Na"	22.989218
"762308"	1175.242718	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+Na"	22.989218
"1610407"	407.073718	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Na"	22.989218
"319356"	396.082747	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+H+Na"	23.996494
"711048"	588.124997	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+H+Na"	23.996494
"1464868"	204.040497	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H+Na"	23.996494
"1052823"	136.362756666667	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2H+Na"	25.00377
"1258691"	417.117986	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+CH3OH+H"	33.033486
"377209"	807.132158	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+K"	38.963158
"738526"	1191.216658	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+K"	38.963158
"1539944"	423.047658	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+K"	38.963158
"300406"	404.069717	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+H+K"	39.970434
"693922"	596.111967	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+H+K"	39.970434
"1451023"	212.027467	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H+K"	39.970434
"245093"	810.202826	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+ACN+H"	42.033826
"1215615"	426.118326	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+ACN+H"	42.033826
"1195487"	213.562801	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+ACN+2H"	43.041102
"191276"	813.14016	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+2Na-H"	44.97116
"631558"	1197.22466	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+2Na-H"	44.97116
"1133607"	429.05566	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2Na-H"	44.97116
"174964"	407.073718	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+2Na"	45.978436
"616472"	599.115968	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+2Na"	45.978436
"1121801"	215.031468	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2Na"	45.978436
"1398633"	143.690070666667	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H+2Na"	46.985712
"1430190"	431.097246	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H+HCOOH"	47.012746
"220286"	412.10674	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+3H2O+2H"	56.04448
"1514112"	445.14929	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+IsoProp+H"	61.06479
"409789"	415.060688	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+Na+K"	61.952376
"774793"	607.102938	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+Na+K"	61.952376
"1667844"	223.018438	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Na+K"	61.952376
"251441"	832.184768	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+ACN+Na"	64.015768
"1231446"	448.100268	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+ACN+Na"	64.015768
"1717052"	448.123793	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+NH4+HCOOH"	64.039293
"1180218"	151.017384666667	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+3Na"	68.967654
"1650269"	453.079188	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Na+HCOOH"	68.994688
"158062"	845.08804	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+2K-H"	76.91904
"597334"	1229.17254	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+2K-H"	76.91904
"1084564"	461.00354	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2K-H"	76.91904
"141620"	423.047658	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"2M+2K"	77.926316
"581537"	615.089908	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"3M+2K"	77.926316
"1068651"	231.005408	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2K"	77.926316
"1101709"	463.018092	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2K+H"	78.933592
"1349036"	463.105707	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+DMSO+H"	79.021207
"1015379"	467.144876	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2ACN+H"	83.060376
"1530224"	468.138508	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+IsoProp+Na+H"	84.054008
"994485"	234.076076	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+2ACN+2H"	84.067652
"1593359"	469.053128	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+K+HCOOH"	84.968628
"1420113"	499.084638	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+H+CF3COOH"	115.000138
"1151498"	254.589351	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+3ACN+2H"	125.094202
"1701048"	516.111185	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+NH4+CF3COOH"	132.026685
"1641074"	521.06658	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+Na+CF3COOH"	136.98208
"1576725"	537.04052	"C20503"	"1-Hydroxyversicolorone;Hydroxyversicolorone"	"C20H16O8"	"384.0845"	"M+K+CF3COOH"	152.95602
"814749"	386.1002	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M"	0
"987189"	367.08181	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-H2O-H"	-19.01839
"73244"	256.392857333333	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M-3H"	-3.021828
"504059"	385.092924	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M-3H"	-3.021828
"885137"	127.692790666667	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-3H"	-3.021828
"4807"	385.092924	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M-2H"	-2.014552
"448742"	578.143024	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M-2H"	-2.014552
"825450"	192.042824	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-2H"	-2.014552
"85444"	771.193124	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M-H"	-1.007276
"521721"	1157.293324	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M-H"	-1.007276
"897698"	385.092924	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-H"	-1.007276
"52814"	788.219671	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M-2H+NH4"	16.019271
"494558"	1174.319871	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M-2H+NH4"	16.019271
"873459"	402.119471	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-2H+NH4"	16.019271
"39176"	793.175066	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M-2H+Na"	20.974666
"476547"	1179.275266	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M-2H+Na"	20.974666
"851069"	407.074866	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-2H+Na"	20.974666
"1628255"	407.074866	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Na-2H"	20.974666
"100413"	403.081263	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M-H+Cl"	33.962126
"535598"	596.131363	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M-H+Cl"	33.962126
"929110"	210.031163	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-H+Cl"	33.962126
"268760"	807.169802	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+Cl"	34.969402
"660081"	1193.270002	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+Cl"	34.969402
"1273217"	421.069602	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Cl"	34.969402
"15793"	809.149006	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M-2H+K"	36.948606
"461171"	1195.249206	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M-2H+K"	36.948606
"841160"	423.048806	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-2H+K"	36.948606
"1570004"	423.048806	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+K-2H"	36.948606
"957276"	431.098394	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-H+HCOOH"	44.998194
"374029"	817.198601	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+HCOOH-H"	44.998201
"360102"	831.214251	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+Hac-H"	59.013851
"1503471"	445.114051	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Hac-H"	59.013851
"968825"	453.080351	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-H+NaCOOH"	66.980151
"115545"	421.069602	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+2Cl"	69.938804
"555105"	614.119702	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+2Cl"	69.938804
"1024997"	228.019502	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2Cl"	69.938804
"1255522"	465.019085	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Br"	78.918885
"1317237"	467.075072	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Cl+HCOOH"	80.974872
"1327807"	489.057029	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Cl+NaCOOH"	102.956829
"919960"	499.085786	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M-H+CF3COOH"	112.985586
"1293385"	535.062464	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Cl+CF3COOH"	148.962264
"1370453"	351.087524	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H-2H2O"	-35.012676
"1389046"	369.0975	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H-H2O"	-17.0027
"285450"	773.207676	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+H"	1.007276
"680061"	1159.307876	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+H"	1.007276
"1355317"	387.107476	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H"	1.007276
"130393"	387.107476	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+2H"	2.014552
"569954"	580.157576	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+2H"	2.014552
"1045314"	194.057376	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2H"	2.014552
"207747"	258.407409333333	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+3H"	3.021828
"649493"	387.107476	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+3H"	3.021828
"1170899"	129.707342666667	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+3H"	3.021828
"433808"	790.234223	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+NH4"	18.033823
"788607"	1176.334423	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+NH4"	18.033823
"1688220"	404.134023	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+NH4"	18.033823
"331397"	395.6207495	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+H+NH4"	19.041099
"724664"	588.6708495	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+H+NH4"	19.041099
"1481280"	202.5706495	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H+NH4"	19.041099
"397408"	795.189618	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+Na"	22.989218
"762418"	1181.289818	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+Na"	22.989218
"1611610"	409.089418	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Na"	22.989218
"319466"	398.098447	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+H+Na"	23.996494
"711158"	591.148547	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+H+Na"	23.996494
"1466071"	205.048347	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H+Na"	23.996494
"1054209"	137.034656666667	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2H+Na"	25.00377
"1259530"	419.133686	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+CH3OH+H"	33.033486
"378466"	811.163558	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+K"	38.963158
"738709"	1197.263758	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+K"	38.963158
"1540425"	425.063358	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+K"	38.963158
"301976"	406.085417	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+H+K"	39.970434
"693303"	599.135517	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+H+K"	39.970434
"1449311"	213.035317	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H+K"	39.970434
"236455"	814.234226	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+ACN+H"	42.033826
"1216818"	428.134026	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+ACN+H"	42.033826
"1195962"	214.570651	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+ACN+2H"	43.041102
"197946"	817.17156	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+2Na-H"	44.97116
"631059"	1203.27176	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+2Na-H"	44.97116
"1133718"	431.07136	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2Na-H"	44.97116
"174226"	409.089418	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+2Na"	45.978436
"623873"	602.139518	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+2Na"	45.978436
"1124099"	216.039318	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2Na"	45.978436
"1398527"	144.361970666667	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H+2Na"	46.985712
"1430134"	433.112946	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H+HCOOH"	47.012746
"221045"	414.12244	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+3H2O+2H"	56.04448
"1512035"	447.16499	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+IsoProp+H"	61.06479
"409533"	417.076388	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+Na+K"	61.952376
"773810"	610.126488	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+Na+K"	61.952376
"1666131"	224.026288	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Na+K"	61.952376
"251754"	836.216168	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+ACN+Na"	64.015768
"1228275"	450.115968	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+ACN+Na"	64.015768
"1719349"	450.139493	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+NH4+HCOOH"	64.039293
"1180329"	151.689284666667	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+3Na"	68.967654
"1650947"	455.094888	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Na+HCOOH"	68.994688
"158295"	849.11944	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+2K-H"	76.91904
"597285"	1235.21964	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+2K-H"	76.91904
"1084553"	463.01924	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2K-H"	76.91904
"141429"	425.063358	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"2M+2K"	77.926316
"581452"	618.113458	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"3M+2K"	77.926316
"1068568"	232.013258	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2K"	77.926316
"1104006"	465.033792	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2K+H"	78.933592
"1342584"	465.121407	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+DMSO+H"	79.021207
"1015489"	469.160576	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2ACN+H"	83.060376
"1533614"	470.154208	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+IsoProp+Na+H"	84.054008
"996781"	235.083926	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+2ACN+2H"	84.067652
"1596752"	471.068828	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+K+HCOOH"	84.968628
"1424596"	501.100338	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+H+CF3COOH"	115.000138
"1157071"	255.597201	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+3ACN+2H"	125.094202
"1703344"	518.126885	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+NH4+CF3COOH"	132.026685
"1636808"	523.08228	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+Na+CF3COOH"	136.98208
"1575741"	539.05622	"C20504"	"Versicolorone"	"C20H18O8"	"386.1002"	"M+K+CF3COOH"	152.95602
"816726"	400.0794	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M"	0
"989569"	381.06101	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-H2O-H"	-19.01839
"78095"	265.712324	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M-3H"	-3.021828
"508543"	399.072124	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M-3H"	-3.021828
"885251"	132.352524	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-3H"	-3.021828
"2732"	399.072124	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M-2H"	-2.014552
"454078"	599.111824	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M-2H"	-2.014552
"826655"	199.032424	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-2H"	-2.014552
"89928"	799.151524	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M-H"	-1.007276
"522927"	1199.230924	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M-H"	-1.007276
"900727"	399.072124	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-H"	-1.007276
"56204"	816.178071	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M-2H+NH4"	16.019271
"493576"	1216.257471	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M-2H+NH4"	16.019271
"871382"	416.098671	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-2H+NH4"	16.019271
"41473"	821.133466	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M-2H+Na"	20.974666
"482124"	1221.212866	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M-2H+Na"	20.974666
"856646"	421.054066	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-2H+Na"	20.974666
"1625084"	421.054066	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Na-2H"	20.974666
"101615"	417.060463	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M-H+Cl"	33.962126
"537893"	617.100163	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M-H+Cl"	33.962126
"930314"	217.020763	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-H+Cl"	33.962126
"271057"	835.128202	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+Cl"	34.969402
"661289"	1235.207602	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+Cl"	34.969402
"1274180"	435.048802	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Cl"	34.969402
"20627"	837.107406	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M-2H+K"	36.948606
"466750"	1237.186806	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M-2H+K"	36.948606
"842363"	437.028006	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-2H+K"	36.948606
"1570813"	437.028006	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+K-2H"	36.948606
"958128"	445.077594	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-H+HCOOH"	44.998194
"376804"	845.157001	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+HCOOH-H"	44.998201
"361069"	859.172651	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+Hac-H"	59.013851
"1505769"	459.093251	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Hac-H"	59.013851
"969665"	467.059551	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-H+NaCOOH"	66.980151
"116748"	435.048802	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+2Cl"	69.938804
"562506"	635.088502	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+2Cl"	69.938804
"1035315"	235.009102	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2Cl"	69.938804
"1252338"	478.998285	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Br"	78.918885
"1318078"	481.054272	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Cl+HCOOH"	80.974872
"1333749"	503.036229	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Cl+NaCOOH"	102.956829
"924445"	513.064986	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M-H+CF3COOH"	112.985586
"1298964"	549.041664	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Cl+CF3COOH"	148.962264
"1376033"	365.066724	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H-2H2O"	-35.012676
"1395354"	383.0767	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H-H2O"	-17.0027
"291030"	801.166076	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+H"	1.007276
"686733"	1201.245476	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+H"	1.007276
"1357614"	401.086676	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H"	1.007276
"135606"	401.086676	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+2H"	2.014552
"579176"	601.126376	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+2H"	2.014552
"1050892"	201.046976	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2H"	2.014552
"210044"	267.726876	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+3H"	3.021828
"652885"	401.086676	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+3H"	3.021828
"1175020"	134.367076	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+3H"	3.021828
"436105"	818.192623	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+NH4"	18.033823
"791997"	1218.272023	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+NH4"	18.033823
"1689424"	418.113223	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+NH4"	18.033823
"331870"	409.5999495	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+H+NH4"	19.041099
"726842"	609.6396495	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+H+NH4"	19.041099
"1478475"	209.5602495	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H+NH4"	19.041099
"396423"	823.148018	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+Na"	22.989218
"762528"	1223.227418	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+Na"	22.989218
"1610626"	423.068618	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Na"	22.989218
"327230"	412.077647	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+H+Na"	23.996494
"714185"	612.117347	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+H+Na"	23.996494
"1465817"	212.037947	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H+Na"	23.996494
"1061248"	141.69439	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2H+Na"	25.00377
"1260009"	433.112886	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+CH3OH+H"	33.033486
"382592"	839.121958	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+K"	38.963158
"740311"	1239.201358	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+K"	38.963158
"1541268"	439.042558	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+K"	38.963158
"302818"	420.064617	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+H+K"	39.970434
"693051"	620.104317	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+H+K"	39.970434
"1450150"	220.024917	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H+K"	39.970434
"238024"	842.192626	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+ACN+H"	42.033826
"1216928"	442.113226	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+ACN+H"	42.033826
"1198626"	221.560251	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+ACN+2H"	43.041102
"198056"	845.12996	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+2Na-H"	44.97116
"631054"	1245.20936	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+2Na-H"	44.97116
"1132377"	445.05056	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2Na-H"	44.97116
"175674"	423.068618	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+2Na"	45.978436
"622890"	623.108318	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+2Na"	45.978436
"1124209"	223.028918	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2Na"	45.978436
"1398496"	149.021704	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H+2Na"	46.985712
"1432196"	447.092146	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H+HCOOH"	47.012746
"220798"	428.10164	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+3H2O+2H"	56.04448
"1515426"	461.14419	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+IsoProp+H"	61.06479
"418391"	431.055588	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+Na+K"	61.952376
"778295"	631.095288	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+Na+K"	61.952376
"1668066"	231.015888	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Na+K"	61.952376
"254584"	864.174568	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+ACN+Na"	64.015768
"1226563"	464.095168	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+ACN+Na"	64.015768
"1713990"	464.118693	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+NH4+HCOOH"	64.039293
"1180439"	156.349018	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+3Na"	68.967654
"1654705"	469.074088	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Na+HCOOH"	68.994688
"160472"	877.07784	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+2K-H"	76.91904
"598575"	1277.15724	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+2K-H"	76.91904
"1085637"	476.99844	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2K-H"	76.91904
"142819"	439.042558	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"2M+2K"	77.926316
"584200"	639.082258	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"3M+2K"	77.926316
"1068572"	239.002858	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2K"	77.926316
"1106305"	479.012992	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2K+H"	78.933592
"1350349"	479.100607	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+DMSO+H"	79.021207
"1019974"	483.139776	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2ACN+H"	83.060376
"1530444"	484.133408	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+IsoProp+Na+H"	84.054008
"999078"	242.073526	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+2ACN+2H"	84.067652
"1597955"	485.048028	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+K+HCOOH"	84.968628
"1423613"	515.079538	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+H+CF3COOH"	115.000138
"1156088"	262.586801	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+3ACN+2H"	125.094202
"1703454"	532.106085	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+NH4+CF3COOH"	132.026685
"1636918"	537.06148	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+Na+CF3COOH"	136.98208
"1579131"	553.03542	"C20505"	"Versiconal hemiacetal acetate"	"C20H16O9"	"400.0794"	"M+K+CF3COOH"	152.95602
"814968"	402.0951	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M"	0
"983035"	383.07671	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-H2O-H"	-19.01839
"76745"	267.056124	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M-3H"	-3.021828
"507558"	401.087824	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M-3H"	-3.021828
"884267"	133.024424	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-3H"	-3.021828
"5028"	401.087824	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M-2H"	-2.014552
"452243"	602.135374	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M-2H"	-2.014552
"823485"	200.040274	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-2H"	-2.014552
"85664"	803.182924	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M-H"	-1.007276
"529597"	1205.278024	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M-H"	-1.007276
"901932"	401.087824	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-H"	-1.007276
"56314"	820.209471	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M-2H+NH4"	16.019271
"493686"	1222.304571	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M-2H+NH4"	16.019271
"871492"	418.114371	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-2H+NH4"	16.019271
"39394"	825.164866	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M-2H+Na"	20.974666
"473728"	1227.259966	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M-2H+Na"	20.974666
"852381"	423.069766	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-2H+Na"	20.974666
"1625193"	423.069766	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Na-2H"	20.974666
"102816"	419.076163	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M-H+Cl"	33.962126
"539095"	620.123713	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M-H+Cl"	33.962126
"929084"	218.028613	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-H+Cl"	33.962126
"268123"	839.159602	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+Cl"	34.969402
"663217"	1241.254702	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+Cl"	34.969402
"1274167"	437.064502	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Cl"	34.969402
"20737"	841.138806	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M-2H+K"	36.948606
"464671"	1243.233906	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M-2H+K"	36.948606
"841379"	439.043706	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-2H+K"	36.948606
"1571136"	439.043706	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+K-2H"	36.948606
"958424"	447.093294	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-H+HCOOH"	44.998194
"376075"	849.188401	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+HCOOH-H"	44.998201
"360896"	863.204051	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+Hac-H"	59.013851
"1506852"	461.108951	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Hac-H"	59.013851
"971596"	469.075251	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-H+NaCOOH"	66.980151
"122325"	437.064502	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+2Cl"	69.938804
"561885"	638.112052	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+2Cl"	69.938804
"1033965"	236.016952	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2Cl"	69.938804
"1247345"	481.013985	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Br"	78.918885
"1316362"	483.069972	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Cl+HCOOH"	80.974872
"1334227"	505.051929	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Cl+NaCOOH"	102.956829
"923095"	515.080686	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M-H+CF3COOH"	112.985586
"1299074"	551.057364	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Cl+CF3COOH"	148.962264
"1376142"	367.082424	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H-2H2O"	-35.012676
"1392546"	385.0924	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H-H2O"	-17.0027
"292233"	805.197476	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+H"	1.007276
"686841"	1207.292576	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+H"	1.007276
"1361003"	403.102376	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H"	1.007276
"136080"	403.102376	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+2H"	2.014552
"578557"	604.149926	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+2H"	2.014552
"1048087"	202.054826	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2H"	2.014552
"210154"	269.070676	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+3H"	3.021828
"649713"	403.102376	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+3H"	3.021828
"1168932"	135.038976	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+3H"	3.021828
"434392"	822.224023	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+NH4"	18.033823
"793200"	1224.319123	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+NH4"	18.033823
"1688441"	420.128923	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+NH4"	18.033823
"332344"	411.6156495	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+H+NH4"	19.041099
"727316"	612.6631995	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+H+NH4"	19.041099
"1479676"	210.5680995	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H+NH4"	19.041099
"395078"	827.179418	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+Na"	22.989218
"761544"	1229.274518	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+Na"	22.989218
"1606361"	425.084318	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Na"	22.989218
"327339"	414.093347	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+H+Na"	23.996494
"714295"	615.140897	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+H+Na"	23.996494
"1464835"	213.045797	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H+Na"	23.996494
"1065733"	142.36629	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2H+Na"	25.00377
"1263035"	435.128586	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+CH3OH+H"	33.033486
"382703"	843.153358	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+K"	38.963158
"744795"	1245.248458	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+K"	38.963158
"1543565"	441.058258	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+K"	38.963158
"302929"	422.080317	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+H+K"	39.970434
"695348"	623.127867	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+H+K"	39.970434
"1451354"	221.032767	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H+K"	39.970434
"241050"	846.224026	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+ACN+H"	42.033826
"1219225"	444.128926	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+ACN+H"	42.033826
"1198736"	222.568101	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+ACN+2H"	43.041102
"198166"	849.16136	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+2Na-H"	44.97116
"631895"	1251.25646	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+2Na-H"	44.97116
"1134674"	447.06626	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2Na-H"	44.97116
"176877"	425.084318	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+2Na"	45.978436
"617532"	626.131868	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+2Na"	45.978436
"1121038"	224.036768	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2Na"	45.978436
"1401284"	149.693604	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H+2Na"	46.985712
"1433399"	449.107846	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H+HCOOH"	47.012746
"225281"	430.11734	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+3H2O+2H"	56.04448
"1515536"	463.15989	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+IsoProp+H"	61.06479
"418501"	433.071288	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+Na+K"	61.952376
"778405"	634.118838	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+Na+K"	61.952376
"1668175"	232.023738	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Na+K"	61.952376
"254694"	868.205968	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+ACN+Na"	64.015768
"1227764"	466.110868	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+ACN+Na"	64.015768
"1716288"	466.134393	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+NH4+HCOOH"	64.039293
"1183100"	157.020918	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+3Na"	68.967654
"1655907"	471.089788	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Na+HCOOH"	68.994688
"163132"	881.10924	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+2K-H"	76.91904
"599534"	1283.20434	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+2K-H"	76.91904
"1085749"	479.01414	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2K-H"	76.91904
"144022"	441.058258	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"2M+2K"	77.926316
"584674"	642.105808	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"3M+2K"	77.926316
"1070522"	240.010708	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2K"	77.926316
"1106415"	481.028692	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2K+H"	78.933592
"1348272"	481.116307	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+DMSO+H"	79.021207
"1016802"	485.155476	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2ACN+H"	83.060376
"1531647"	486.149108	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+IsoProp+Na+H"	84.054008
"999187"	243.081376	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+2ACN+2H"	84.067652
"1598065"	487.063728	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+K+HCOOH"	84.968628
"1423722"	517.095238	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+H+CF3COOH"	115.000138
"1155104"	263.594651	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+3ACN+2H"	125.094202
"1701376"	534.121785	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+NH4+CF3COOH"	132.026685
"1639214"	539.07718	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+Na+CF3COOH"	136.98208
"1573044"	555.05112	"C20506"	"Versiconol acetate"	"C20H18O9"	"402.0951"	"M+K+CF3COOH"	152.95602
"816052"	358.0689	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M"	0
"986426"	339.05051	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-H2O-H"	-19.01839
"76856"	237.705324	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M-3H"	-3.021828
"510949"	357.061624	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M-3H"	-3.021828
"885470"	118.349024	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-3H"	-3.021828
"2952"	357.061624	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M-2H"	-2.014552
"445066"	536.096074	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M-2H"	-2.014552
"823597"	178.027174	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-2H"	-2.014552
"82495"	715.130524	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M-H"	-1.007276
"526427"	1073.199424	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M-H"	-1.007276
"898398"	357.061624	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-H"	-1.007276
"56424"	732.157071	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M-2H+NH4"	16.019271
"492703"	1090.225971	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M-2H+NH4"	16.019271
"871602"	374.088171	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-2H+NH4"	16.019271
"35129"	737.112466	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M-2H+Na"	20.974666
"473838"	1095.181366	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M-2H+Na"	20.974666
"855771"	379.043566	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-2H+Na"	20.974666
"1630772"	379.043566	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Na-2H"	20.974666
"99646"	375.049963	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M-H+Cl"	33.962126
"540299"	554.084413	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M-H+Cl"	33.962126
"930534"	196.015513	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-H+Cl"	33.962126
"274560"	751.107202	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+Cl"	34.969402
"663698"	1109.176102	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+Cl"	34.969402
"1277197"	393.038302	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Cl"	34.969402
"20847"	753.086406	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M-2H+K"	36.948606
"463688"	1111.155306	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M-2H+K"	36.948606
"841489"	395.017506	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-2H+K"	36.948606
"1571155"	395.017506	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+K-2H"	36.948606
"958219"	403.067094	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-H+HCOOH"	44.998194
"376107"	761.136001	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+HCOOH-H"	44.998201
"360925"	775.151651	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+Hac-H"	59.013851
"1507327"	417.082751	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Hac-H"	59.013851
"970252"	425.049051	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-H+NaCOOH"	66.980151
"123527"	393.038302	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+2Cl"	69.938804
"563455"	572.072752	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+2Cl"	69.938804
"1035171"	214.003852	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2Cl"	69.938804
"1250371"	436.987785	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Br"	78.918885
"1319029"	439.043772	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Cl+HCOOH"	80.974872
"1334337"	461.025729	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Cl+NaCOOH"	102.956829
"925395"	471.054486	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M-H+CF3COOH"	112.985586
"1302100"	507.031164	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Cl+CF3COOH"	148.962264
"1380994"	323.056224	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H-2H2O"	-35.012676
"1393386"	341.0662	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H-H2O"	-17.0027
"296354"	717.145076	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+H"	1.007276
"688410"	1075.213976	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+H"	1.007276
"1365490"	359.076176	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H"	1.007276
"138745"	359.076176	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+2H"	2.014552
"578305"	538.110626	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+2H"	2.014552
"1048197"	180.041726	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2H"	2.014552
"213546"	239.719876	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+3H"	3.021828
"650917"	359.076176	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+3H"	3.021828
"1167948"	120.363576	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+3H"	3.021828
"433409"	734.171623	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+NH4"	18.033823
"793313"	1092.240523	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+NH4"	18.033823
"1683204"	376.102723	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+NH4"	18.033823
"332454"	367.5894495	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+H+NH4"	19.041099
"726332"	546.6238995	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+H+NH4"	19.041099
"1478694"	188.5549995	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H+NH4"	19.041099
"394459"	739.127018	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+Na"	22.989218
"761653"	1097.195918	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+Na"	22.989218
"1606472"	381.058118	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Na"	22.989218
"329723"	370.067147	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+H+Na"	23.996494
"717684"	549.101597	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+H+Na"	23.996494
"1473692"	191.032697	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H+Na"	23.996494
"1068356"	127.69089	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2H+Na"	25.00377
"1265331"	391.102386	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+CH3OH+H"	33.033486
"382813"	755.100958	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+K"	38.963158
"749277"	1113.169858	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+K"	38.963158
"1544403"	397.032058	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+K"	38.963158
"303036"	378.054117	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+H+K"	39.970434
"693633"	557.088567	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+H+K"	39.970434
"1449277"	199.019667	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H+K"	39.970434
"237150"	758.171626	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+ACN+H"	42.033826
"1212411"	400.102726	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+ACN+H"	42.033826
"1195561"	200.555001	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+ACN+2H"	43.041102
"190624"	761.10896	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+2Na-H"	44.97116
"630180"	1119.17786	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+2Na-H"	44.97116
"1133324"	403.04006	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2Na-H"	44.97116
"180269"	381.058118	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+2Na"	45.978436
"624204"	560.092568	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+2Na"	45.978436
"1128077"	202.023668	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2Na"	45.978436
"1403581"	135.018204	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H+2Na"	46.985712
"1437882"	405.081646	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H+HCOOH"	47.012746
"230858"	386.09114	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+3H2O+2H"	56.04448
"1516739"	419.13369	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+IsoProp+H"	61.06479
"418611"	389.045088	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+Na+K"	61.952376
"774139"	568.079538	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+Na+K"	61.952376
"1673753"	210.010638	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Na+K"	61.952376
"258083"	780.153568	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+ACN+Na"	64.015768
"1231885"	422.084668	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+ACN+Na"	64.015768
"1720769"	422.108193	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+NH4+HCOOH"	64.039293
"1188312"	142.345518	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+3Na"	68.967654
"1657111"	427.063588	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Na+HCOOH"	68.994688
"162878"	793.05684	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+2K-H"	76.91904
"600619"	1151.12574	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+2K-H"	76.91904
"1087680"	434.98794	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2K-H"	76.91904
"144862"	397.032058	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"2M+2K"	77.926316
"585512"	576.066508	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"3M+2K"	77.926316
"1070390"	217.997608	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2K"	77.926316
"1107618"	437.002492	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2K+H"	78.933592
"1350327"	437.090107	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+DMSO+H"	79.021207
"1016915"	441.129276	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2ACN+H"	83.060376
"1531757"	442.122908	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+IsoProp+Na+H"	84.054008
"1001484"	221.068276	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+2ACN+2H"	84.067652
"1597080"	443.037528	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+K+HCOOH"	84.968628
"1421646"	473.069038	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+H+CF3COOH"	115.000138
"1154123"	241.581551	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+3ACN+2H"	125.094202
"1706954"	490.095585	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+NH4+CF3COOH"	132.026685
"1638231"	495.05098	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+Na+CF3COOH"	136.98208
"1573154"	511.02492	"C20507"	"Versiconal"	"C18H14O8"	"358.0689"	"M+K+CF3COOH"	152.95602
"814096"	360.0845	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M"	0
"985439"	341.06611	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-H2O-H"	-19.01839
"72592"	239.049057333333	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M-3H"	-3.021828
"506685"	359.077224	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M-3H"	-3.021828
"879940"	119.020890666667	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-3H"	-3.021828
"6341"	359.077224	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M-2H"	-2.014552
"445903"	539.119474	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M-2H"	-2.014552
"820426"	179.034974	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-2H"	-2.014552
"85884"	719.161724	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M-H"	-1.007276
"519977"	1079.246224	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M-H"	-1.007276
"902156"	359.077224	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-H"	-1.007276
"56534"	736.188271	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M-2H+NH4"	16.019271
"492813"	1096.272771	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M-2H+NH4"	16.019271
"871712"	376.103771	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-2H+NH4"	16.019271
"35239"	741.143666	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M-2H+Na"	20.974666
"474799"	1101.228166	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M-2H+Na"	20.974666
"854788"	381.059166	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-2H+Na"	20.974666
"1630882"	381.059166	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Na-2H"	20.974666
"104131"	377.065563	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M-H+Cl"	33.962126
"540409"	557.107813	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M-H+Cl"	33.962126
"931737"	197.023313	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-H+Cl"	33.962126
"273577"	755.138402	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+Cl"	34.969402
"665995"	1115.222902	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+Cl"	34.969402
"1277309"	395.053902	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Cl"	34.969402
"19864"	757.117606	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M-2H+K"	36.948606
"463798"	1117.202106	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M-2H+K"	36.948606
"841599"	397.033106	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-2H+K"	36.948606
"1558525"	397.033106	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+K-2H"	36.948606
"958476"	405.082694	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-H+HCOOH"	44.998194
"376417"	765.167201	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+HCOOH-H"	44.998201
"360426"	779.182851	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+Hac-H"	59.013851
"1507801"	419.098351	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Hac-H"	59.013851
"971456"	427.064651	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-H+NaCOOH"	66.980151
"119265"	395.053902	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+2Cl"	69.938804
"559918"	575.096152	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+2Cl"	69.938804
"1030904"	215.011652	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2Cl"	69.938804
"1250481"	439.003385	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Br"	78.918885
"1319463"	441.059372	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Cl+HCOOH"	80.974872
"1334771"	463.041329	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Cl+NaCOOH"	102.956829
"925505"	473.070086	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M-H+CF3COOH"	112.985586
"1302576"	509.046764	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Cl+CF3COOH"	148.962264
"1380010"	325.071824	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H-2H2O"	-35.012676
"1398115"	343.0818	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H-H2O"	-17.0027
"297924"	721.176276	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+H"	1.007276
"689256"	1081.260776	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+H"	1.007276
"1365967"	361.091776	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H"	1.007276
"138491"	361.091776	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+2H"	2.014552
"578780"	541.134026	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+2H"	2.014552
"1050859"	181.049526	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2H"	2.014552
"216936"	241.063609333333	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+3H"	3.021828
"651028"	361.091776	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+3H"	3.021828
"1172069"	121.035442666667	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+3H"	3.021828
"435708"	738.202823	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+NH4"	18.033823
"793423"	1098.287323	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+NH4"	18.033823
"1682221"	378.118323	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+NH4"	18.033823
"330211"	369.6050495	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+H+NH4"	19.041099
"722953"	549.6472995	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+H+NH4"	19.041099
"1477346"	189.5627995	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H+NH4"	19.041099
"396391"	743.158218	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+Na"	22.989218
"760670"	1103.242718	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+Na"	22.989218
"1607676"	383.073718	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Na"	22.989218
"328653"	372.082747	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+H+Na"	23.996494
"711597"	552.124997	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+H+Na"	23.996494
"1472707"	192.040497	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H+Na"	23.996494
"1065951"	128.362756666667	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2H+Na"	25.00377
"1266536"	393.117986	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+CH3OH+H"	33.033486
"386204"	759.132158	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+K"	38.963158
"742825"	1119.216658	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+K"	38.963158
"1542688"	399.047658	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+K"	38.963158
"301686"	380.069717	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+H+K"	39.970434
"697754"	560.111967	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+H+K"	39.970434
"1448293"	200.027467	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H+K"	39.970434
"239444"	762.202826	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+ACN+H"	42.033826
"1212154"	402.118326	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+ACN+H"	42.033826
"1195308"	201.562801	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+ACN+2H"	43.041102
"188904"	765.14016	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+2Na-H"	44.97116
"629564"	1125.22466	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+2Na-H"	44.97116
"1131977"	405.05566	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2Na-H"	44.97116
"178195"	383.073718	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+2Na"	45.978436
"616663"	563.115968	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+2Na"	45.978436
"1123449"	203.031468	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2Na"	45.978436
"1405878"	135.690070666667	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H+2Na"	46.985712
"1440180"	407.097246	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H+HCOOH"	47.012746
"229875"	388.10674	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+3H2O+2H"	56.04448
"1515756"	421.14929	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+IsoProp+H"	61.06479
"418721"	391.060688	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+Na+K"	61.952376
"775343"	571.102938	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+Na+K"	61.952376
"1674956"	211.018438	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Na+K"	61.952376
"259286"	784.184768	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+ACN+Na"	64.015768
"1231996"	424.100268	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+ACN+Na"	64.015768
"1717965"	424.123793	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+NH4+HCOOH"	64.039293
"1188422"	143.017384666667	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+3Na"	68.967654
"1661595"	429.079188	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Na+HCOOH"	68.994688
"166268"	797.08804	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+2K-H"	76.91904
"600362"	1157.17254	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+2K-H"	76.91904
"1088518"	437.00354	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2K-H"	76.91904
"145335"	399.047658	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"2M+2K"	77.926316
"583800"	579.089908	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"3M+2K"	77.926316
"1070135"	219.005408	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2K"	77.926316
"1106635"	439.018092	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2K+H"	78.933592
"1349954"	439.105707	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+DMSO+H"	79.021207
"1019211"	443.144876	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2ACN+H"	83.060376
"1531866"	444.138508	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+IsoProp+Na+H"	84.054008
"997219"	222.076076	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+2ACN+2H"	84.067652
"1592817"	445.053128	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+K+HCOOH"	84.968628
"1421757"	475.084638	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+H+CF3COOH"	115.000138
"1149859"	242.589351	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+3ACN+2H"	125.094202
"1705972"	492.111185	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+NH4+CF3COOH"	132.026685
"1641623"	497.06658	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+Na+CF3COOH"	136.98208
"1572900"	513.04052	"C20508"	"Versiconol"	"C18H16O8"	"360.0845"	"M+K+CF3COOH"	152.95602
"813112"	482.2224	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M"	0
"986279"	463.20401	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-H2O-H"	-19.01839
"73796"	320.474324	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M-3H"	-3.021828
"505702"	481.215124	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M-3H"	-3.021828
"883505"	159.733524	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-3H"	-3.021828
"376"	481.215124	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M-2H"	-2.014552
"444920"	722.326324	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M-2H"	-2.014552
"827096"	240.103924	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-2H"	-2.014552
"88181"	963.437524	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M-H"	-1.007276
"524463"	1445.659924	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M-H"	-1.007276
"903359"	481.215124	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-H"	-1.007276
"57736"	980.464071	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M-2H+NH4"	16.019271
"495111"	1462.686471	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M-2H+NH4"	16.019271
"871822"	498.241671	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-2H+NH4"	16.019271
"35348"	985.419466	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M-2H+Na"	20.974666
"473814"	1467.641866	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M-2H+Na"	20.974666
"855991"	503.197066	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-2H+Na"	20.974666
"1630994"	503.197066	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Na-2H"	20.974666
"105336"	499.203463	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M-H+Cl"	33.962126
"541613"	740.314663	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M-H+Cl"	33.962126
"932940"	258.092263	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-H+Cl"	33.962126
"275873"	999.414202	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+Cl"	34.969402
"667201"	1481.636602	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+Cl"	34.969402
"1282886"	517.191802	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Cl"	34.969402
"27632"	1001.393406	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M-2H+K"	36.948606
"468650"	1483.615806	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M-2H+K"	36.948606
"845356"	519.171006	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-2H+K"	36.948606
"1568116"	519.171006	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+K-2H"	36.948606
"958201"	527.220594	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-H+HCOOH"	44.998194
"374948"	1009.443001	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+HCOOH-H"	44.998201
"361276"	1023.458651	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+Hac-H"	59.013851
"1507917"	541.236251	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Hac-H"	59.013851
"970471"	549.202551	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-H+NaCOOH"	66.980151
"117188"	517.191802	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+2Cl"	69.938804
"560030"	758.303002	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+2Cl"	69.938804
"1028829"	276.080602	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2Cl"	69.938804
"1249501"	561.141285	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Br"	78.918885
"1316692"	563.197272	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Cl+HCOOH"	80.974872
"1334800"	585.179229	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Cl+NaCOOH"	102.956829
"923789"	595.207986	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M-H+CF3COOH"	112.985586
"1296122"	631.184664	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Cl+CF3COOH"	148.962264
"1378293"	447.209724	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H-2H2O"	-35.012676
"1395428"	465.2197	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H-H2O"	-17.0027
"296574"	965.452076	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+H"	1.007276
"689362"	1447.674476	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+H"	1.007276
"1365714"	483.229676	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H"	1.007276
"138237"	483.229676	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+2H"	2.014552
"577067"	724.340876	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+2H"	2.014552
"1048053"	242.118476	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2H"	2.014552
"213766"	322.488876	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+3H"	3.021828
"652234"	483.229676	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+3H"	3.021828
"1170360"	161.748076	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+3H"	3.021828
"431445"	982.478623	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+NH4"	18.033823
"796815"	1464.701023	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+NH4"	18.033823
"1684398"	500.256223	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+NH4"	18.033823
"330484"	491.7429495	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+H+NH4"	19.041099
"723148"	732.8541495	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+H+NH4"	19.041099
"1482198"	250.6317495	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H+NH4"	19.041099
"401972"	987.434018	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+Na"	22.989218
"762968"	1469.656418	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+Na"	22.989218
"1607786"	505.211618	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Na"	22.989218
"327669"	494.220647	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+H+Na"	23.996494
"712801"	735.331847	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+H+Na"	23.996494
"1469537"	253.109447	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H+Na"	23.996494
"1066793"	169.07539	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2H+Na"	25.00377
"1262273"	515.255886	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+CH3OH+H"	33.033486
"384492"	1003.407958	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+K"	38.963158
"740748"	1485.630358	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+K"	38.963158
"1542068"	521.185558	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+K"	38.963158
"302162"	502.207617	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+H+K"	39.970434
"693852"	743.318817	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+H+K"	39.970434
"1447309"	261.096417	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H+K"	39.970434
"238825"	1006.478626	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+ACN+H"	42.033826
"1210927"	524.256226	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+ACN+H"	42.033826
"1195414"	262.631751	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+ACN+2H"	43.041102
"191939"	1009.41596	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+2Na-H"	44.97116
"629025"	1491.63836	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+2Na-H"	44.97116
"1132088"	527.19356	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2Na-H"	44.97116
"173202"	505.211618	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+2Na"	45.978436
"613856"	746.322818	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+2Na"	45.978436
"1122465"	264.100418	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2Na"	45.978436
"1405987"	176.402704	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H+2Na"	46.985712
"1437009"	529.235146	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H+HCOOH"	47.012746
"232538"	510.24464	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+3H2O+2H"	56.04448
"1518049"	543.28719	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+IsoProp+H"	61.06479
"418830"	513.198588	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+Na+K"	61.952376
"775452"	754.309788	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+Na+K"	61.952376
"1670688"	272.087388	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Na+K"	61.952376
"258303"	1028.460568	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+ACN+Na"	64.015768
"1231011"	546.238168	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+ACN+Na"	64.015768
"1717709"	546.261693	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+NH4+HCOOH"	64.039293
"1184157"	183.730018	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+3Na"	68.967654
"1658424"	551.217088	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Na+HCOOH"	68.994688
"166378"	1041.36384	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+2K-H"	76.91904
"599379"	1523.58624	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+2K-H"	76.91904
"1086806"	559.14144	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2K-H"	76.91904
"144716"	521.185558	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"2M+2K"	77.926316
"585005"	762.296758	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"3M+2K"	77.926316
"1071704"	280.074358	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2K"	77.926316
"1107838"	561.155992	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2K+H"	78.933592
"1351036"	561.243607	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+DMSO+H"	79.021207
"1013852"	565.282776	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2ACN+H"	83.060376
"1531976"	566.276408	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+IsoProp+Na+H"	84.054008
"997331"	283.145026	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+2ACN+2H"	84.067652
"1592928"	567.191028	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+K+HCOOH"	84.968628
"1417493"	597.222538	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+H+CF3COOH"	115.000138
"1149970"	303.658301	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+3ACN+2H"	125.094202
"1699519"	614.249085	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+NH4+CF3COOH"	132.026685
"1641735"	619.20448	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+Na+CF3COOH"	136.98208
"1577385"	635.17842	"C20509"	"2-Dehydrokanamycin A;2-Oxokanamycin"	"C18H34N4O11"	"482.2224"	"M+K+CF3COOH"	152.95602
"813222"	456.3603	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M"	0
"986753"	437.34191	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-H2O-H"	-19.01839
"74999"	303.232924	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M-3H"	-3.021828
"513465"	455.353024	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M-3H"	-3.021828
"884709"	151.112824	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-3H"	-3.021828
"3282"	455.353024	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M-2H"	-2.014552
"441751"	683.533174	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M-2H"	-2.014552
"823927"	227.172874	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-2H"	-2.014552
"91450"	911.713324	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M-H"	-1.007276
"523480"	1368.073624	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M-H"	-1.007276
"903469"	455.353024	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-H"	-1.007276
"54567"	928.739871	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M-2H+NH4"	16.019271
"494128"	1385.100171	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M-2H+NH4"	16.019271
"871932"	472.379571	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-2H+NH4"	16.019271
"41658"	933.695266	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M-2H+Na"	20.974666
"480488"	1390.055566	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M-2H+Na"	20.974666
"858290"	477.334966	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-2H+Na"	20.974666
"1630011"	477.334966	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Na-2H"	20.974666
"104353"	473.341363	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M-H+Cl"	33.962126
"540630"	701.521513	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M-H+Cl"	33.962126
"933051"	245.161213	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-H+Cl"	33.962126
"273797"	947.690002	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+Cl"	34.969402
"666217"	1404.050302	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+Cl"	34.969402
"1284089"	491.329702	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Cl"	34.969402
"28474"	949.669206	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M-2H+K"	36.948606
"468761"	1406.029506	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M-2H+K"	36.948606
"844737"	493.308906	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-2H+K"	36.948606
"1569319"	493.308906	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+K-2H"	36.948606
"954657"	501.358494	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-H+HCOOH"	44.998194
"374935"	957.718801	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+HCOOH-H"	44.998201
"361132"	971.734451	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+Hac-H"	59.013851
"1508144"	515.374151	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Hac-H"	59.013851
"972771"	523.340451	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-H+NaCOOH"	66.980151
"118392"	491.329702	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+2Cl"	69.938804
"559047"	719.509852	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+2Cl"	69.938804
"1027846"	263.149552	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2Cl"	69.938804
"1248518"	535.279185	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Br"	78.918885
"1314979"	537.335172	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Cl+HCOOH"	80.974872
"1333571"	559.317129	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Cl+NaCOOH"	102.956829
"924994"	569.345886	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M-H+CF3COOH"	112.985586
"1300607"	605.322564	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Cl+CF3COOH"	148.962264
"1380957"	421.347624	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H-2H2O"	-35.012676
"1391893"	439.3576	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H-H2O"	-17.0027
"291579"	913.727876	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+H"	1.007276
"681811"	1370.088176	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+H"	1.007276
"1366185"	457.367576	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H"	1.007276
"139076"	457.367576	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+2H"	2.014552
"579730"	685.547726	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+2H"	2.014552
"1048164"	229.187426	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2H"	2.014552
"213876"	305.247476	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+3H"	3.021828
"653437"	457.367576	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+3H"	3.021828
"1170469"	153.127376	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+3H"	3.021828
"433742"	930.754423	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+NH4"	18.033823
"795832"	1387.114723	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+NH4"	18.033823
"1687789"	474.394123	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+NH4"	18.033823
"330393"	465.8808495	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+H+NH4"	19.041099
"724113"	694.0609995	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+H+NH4"	19.041099
"1482308"	237.7006995	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H+NH4"	19.041099
"402082"	935.709818	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+Na"	22.989218
"764172"	1392.070118	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+Na"	22.989218
"1615916"	479.349518	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Na"	22.989218
"328630"	468.358547	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+H+Na"	23.996494
"709269"	696.538697	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+H+Na"	23.996494
"1464908"	240.178397	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H+Na"	23.996494
"1055967"	160.45469	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2H+Na"	25.00377
"1264569"	489.393786	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+CH3OH+H"	33.033486
"385332"	951.683758	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+K"	38.963158
"743048"	1408.044058	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+K"	38.963158
"1542913"	495.323458	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+K"	38.963158
"303368"	476.345517	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+H+K"	39.970434
"695421"	704.525667	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+H+K"	39.970434
"1448512"	248.165367	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H+K"	39.970434
"239665"	954.754426	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+ACN+H"	42.033826
"1213470"	498.394126	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+ACN+H"	42.033826
"1196622"	249.700701	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+ACN+2H"	43.041102
"192049"	957.69176	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+2Na-H"	44.97116
"630148"	1414.05206	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+2Na-H"	44.97116
"1134749"	501.33146	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2Na-H"	44.97116
"177687"	479.349518	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+2Na"	45.978436
"615423"	707.529668	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+2Na"	45.978436
"1125856"	251.169368	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2Na"	45.978436
"1409377"	167.782004	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H+2Na"	46.985712
"1438212"	503.373046	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H+HCOOH"	47.012746
"231190"	484.38254	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+3H2O+2H"	56.04448
"1522172"	517.42509	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+IsoProp+H"	61.06479
"420764"	487.336488	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+Na+K"	61.952376
"774468"	715.516638	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+Na+K"	61.952376
"1672985"	259.156338	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Na+K"	61.952376
"258413"	976.736368	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+ACN+Na"	64.015768
"1231124"	520.376068	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+ACN+Na"	64.015768
"1720008"	520.399593	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+NH4+HCOOH"	64.039293
"1183903"	175.109318	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+3Na"	68.967654
"1660721"	525.354988	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Na+HCOOH"	68.994688
"167581"	989.63964	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+2K-H"	76.91904
"600217"	1445.99994	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+2K-H"	76.91904
"1089103"	533.27934	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2K-H"	76.91904
"145191"	495.323458	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"2M+2K"	77.926316
"585480"	723.503608	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"3M+2K"	77.926316
"1072907"	267.143308	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2K"	77.926316
"1101379"	535.293892	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2K+H"	78.933592
"1344335"	535.381507	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+DMSO+H"	79.021207
"1013962"	539.420676	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2ACN+H"	83.060376
"1530993"	540.414308	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+IsoProp+Na+H"	84.054008
"997441"	270.213976	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+2ACN+2H"	84.067652
"1590850"	541.328928	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+K+HCOOH"	84.968628
"1416510"	571.360438	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+H+CF3COOH"	115.000138
"1148987"	290.727251	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+3ACN+2H"	125.094202
"1699631"	588.386985	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+NH4+CF3COOH"	132.026685
"1645125"	593.34238	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+Na+CF3COOH"	136.98208
"1577495"	609.31632	"C20510"	"30-Hydroxy-11-oxo-beta-amyrin"	"C30H48O3"	"456.3603"	"M+K+CF3COOH"	152.95602
"814425"	454.3447	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M"	0
"987228"	435.32631	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-H2O-H"	-19.01839
"71825"	301.889190666667	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M-3H"	-3.021828
"515761"	453.337424	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M-3H"	-3.021828
"882632"	150.440957333333	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-3H"	-3.021828
"6672"	453.337424	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M-2H"	-2.014552
"442954"	680.509774	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M-2H"	-2.014552
"818570"	226.165074	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-2H"	-2.014552
"90588"	907.682124	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M-H"	-1.007276
"523589"	1362.026824	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M-H"	-1.007276
"902485"	453.337424	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-H"	-1.007276
"57957"	924.708671	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M-2H+NH4"	16.019271
"494238"	1379.053371	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M-2H+NH4"	16.019271
"872042"	470.363971	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-2H+NH4"	16.019271
"39945"	929.664066	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M-2H+Na"	20.974666
"478411"	1384.008766	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M-2H+Na"	20.974666
"855118"	475.319366	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-2H+Na"	20.974666
"1629757"	475.319366	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Na-2H"	20.974666
"103370"	471.325763	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M-H+Cl"	33.962126
"540740"	698.498113	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M-H+Cl"	33.962126
"934254"	244.153413	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-H+Cl"	33.962126
"275000"	943.658802	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+Cl"	34.969402
"667420"	1398.003502	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+Cl"	34.969402
"1283835"	489.314102	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Cl"	34.969402
"28580"	945.638006	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M-2H+K"	36.948606
"469600"	1399.982706	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M-2H+K"	36.948606
"844847"	491.293306	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-2H+K"	36.948606
"1570523"	491.293306	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+K-2H"	36.948606
"956951"	499.342894	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-H+HCOOH"	44.998194
"375530"	953.687601	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+HCOOH-H"	44.998201
"360640"	967.703251	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+Hac-H"	59.013851
"1506066"	513.358551	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Hac-H"	59.013851
"971057"	521.324851	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-H+NaCOOH"	66.980151
"118502"	489.314102	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+2Cl"	69.938804
"561709"	716.486452	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+2Cl"	69.938804
"1029048"	262.141752	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2Cl"	69.938804
"1248628"	533.263585	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Br"	78.918885
"1315089"	535.319572	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Cl+HCOOH"	80.974872
"1334897"	557.301529	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Cl+NaCOOH"	102.956829
"924008"	567.330286	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M-H+CF3COOH"	112.985586
"1299622"	603.306964	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Cl+CF3COOH"	148.962264
"1382043"	419.332024	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H-2H2O"	-35.012676
"1390910"	437.342	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H-H2O"	-17.0027
"291324"	909.696676	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+H"	1.007276
"681921"	1364.041376	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+H"	1.007276
"1364470"	455.351976	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H"	1.007276
"139910"	455.351976	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+2H"	2.014552
"580566"	682.524326	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+2H"	2.014552
"1051188"	228.179626	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2H"	2.014552
"213986"	303.903742666667	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+3H"	3.021828
"653547"	455.351976	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+3H"	3.021828
"1169485"	152.455509333333	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+3H"	3.021828
"432758"	926.723223	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+NH4"	18.033823
"798128"	1381.067923	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+NH4"	18.033823
"1687898"	472.378523	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+NH4"	18.033823
"331922"	463.8652495	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+H+NH4"	19.041099
"725315"	691.0375995	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+H+NH4"	19.041099
"1480231"	236.6928995	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H+NH4"	19.041099
"400004"	931.678618	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+Na"	22.989218
"764281"	1386.023318	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+Na"	22.989218
"1611286"	477.333918	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Na"	22.989218
"326795"	466.342947	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+H+Na"	23.996494
"715939"	693.515297	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+H+Na"	23.996494
"1465019"	239.170597	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H+Na"	23.996494
"1059723"	159.782823333333	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2H+Na"	25.00377
"1264679"	487.378186	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+CH3OH+H"	33.033486
"384348"	947.652558	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+K"	38.963158
"746438"	1401.997258	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+K"	38.963158
"1543022"	493.307858	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+K"	38.963158
"303478"	474.329917	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+H+K"	39.970434
"694439"	701.502267	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+H+K"	39.970434
"1448626"	247.157567	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H+K"	39.970434
"242694"	950.723226	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+ACN+H"	42.033826
"1212484"	496.378526	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+ACN+H"	42.033826
"1196125"	248.692901	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+ACN+2H"	43.041102
"190453"	953.66056	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+2Na-H"	44.97116
"630620"	1408.00526	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+2Na-H"	44.97116
"1134134"	499.31586	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2Na-H"	44.97116
"176702"	477.333918	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+2Na"	45.978436
"614196"	704.506268	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+2Na"	45.978436
"1119768"	250.161568	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2Na"	45.978436
"1407300"	167.110137333333	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H+2Na"	46.985712
"1437228"	501.357446	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H+HCOOH"	47.012746
"230206"	482.36694	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+3H2O+2H"	56.04448
"1520094"	515.40949	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+IsoProp+H"	61.06479
"417228"	485.320888	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+Na+K"	61.952376
"778589"	712.493238	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+Na+K"	61.952376
"1669815"	258.148538	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Na+K"	61.952376
"258523"	972.705168	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+ACN+Na"	64.015768
"1232692"	518.360468	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+ACN+Na"	64.015768
"1717931"	518.383993	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+NH4+HCOOH"	64.039293
"1186565"	174.437451333333	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+3Na"	68.967654
"1659739"	523.339388	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Na+HCOOH"	68.994688
"164412"	985.60844	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+2K-H"	76.91904
"598870"	1439.95314	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+2K-H"	76.91904
"1087392"	531.26374	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2K-H"	76.91904
"146759"	493.307858	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"2M+2K"	77.926316
"585590"	720.480208	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"3M+2K"	77.926316
"1071925"	266.135508	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2K"	77.926316
"1105861"	533.278292	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2K+H"	78.933592
"1343352"	533.365907	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+DMSO+H"	79.021207
"1011885"	537.405076	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2ACN+H"	83.060376
"1531103"	538.398708	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+IsoProp+Na+H"	84.054008
"999738"	269.206176	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+2ACN+2H"	84.067652
"1592054"	539.313328	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+K+HCOOH"	84.968628
"1414796"	569.344838	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+H+CF3COOH"	115.000138
"1149097"	289.719451	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+3ACN+2H"	125.094202
"1700835"	586.371385	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+NH4+CF3COOH"	132.026685
"1645235"	591.32678	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+Na+CF3COOH"	136.98208
"1577605"	607.30072	"C20511"	"Glycyrrhetaldehyde"	"C30H46O3"	"454.3447"	"M+K+CF3COOH"	152.95602
"813442"	351.1947	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M"	0
"988066"	332.17631	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-H2O-H"	-19.01839
"71935"	233.122524	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M-3H"	-3.021828
"514778"	350.187424	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M-3H"	-3.021828
"882013"	116.057624	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-3H"	-3.021828
"5689"	350.187424	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M-2H"	-2.014552
"441242"	525.784774	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M-2H"	-2.014552
"817340"	174.590074	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-2H"	-2.014552
"88512"	701.382124	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M-H"	-1.007276
"520419"	1052.576824	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M-H"	-1.007276
"901502"	350.187424	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-H"	-1.007276
"53692"	718.408671	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M-2H+NH4"	16.019271
"494347"	1069.603371	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M-2H+NH4"	16.019271
"872152"	367.213971	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-2H+NH4"	16.019271
"37869"	723.364066	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M-2H+Na"	20.974666
"480709"	1074.558766	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M-2H+Na"	20.974666
"859603"	372.169366	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-2H+Na"	20.974666
"1628045"	372.169366	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Na-2H"	20.974666
"103480"	368.175763	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M-H+Cl"	33.962126
"540850"	543.773113	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M-H+Cl"	33.962126
"929017"	192.578413	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-H+Cl"	33.962126
"274015"	737.358802	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+Cl"	34.969402
"667530"	1088.553502	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+Cl"	34.969402
"1285040"	386.164102	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Cl"	34.969402
"29418"	739.338006	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M-2H+K"	36.948606
"471167"	1090.532706	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M-2H+K"	36.948606
"845321"	388.143306	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-2H+K"	36.948606
"1570632"	388.143306	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+K-2H"	36.948606
"958032"	396.192894	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-H+HCOOH"	44.998194
"375882"	747.387601	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+HCOOH-H"	44.998201
"359530"	761.403251	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+Hac-H"	59.013851
"1506175"	410.208551	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Hac-H"	59.013851
"973599"	418.174851	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-H+NaCOOH"	66.980151
"118248"	386.164102	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+2Cl"	69.938804
"562183"	561.761452	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+2Cl"	69.938804
"1026243"	210.566752	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2Cl"	69.938804
"1247645"	430.113585	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Br"	78.918885
"1315563"	432.169572	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Cl+HCOOH"	80.974872
"1334399"	454.151529	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Cl+NaCOOH"	102.956829
"923754"	464.180286	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M-H+CF3COOH"	112.985586
"1298639"	500.156964	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Cl+CF3COOH"	148.962264
"1381785"	316.182024	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H-2H2O"	-35.012676
"1391020"	334.192	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H-H2O"	-17.0027
"288519"	703.396676	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+H"	1.007276
"678752"	1054.591376	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+H"	1.007276
"1358384"	352.201976	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H"	1.007276
"136376"	352.201976	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+2H"	2.014552
"577396"	527.799326	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+2H"	2.014552
"1049476"	176.604626	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2H"	2.014552
"213003"	235.137076	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+3H"	3.021828
"653657"	352.201976	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+3H"	3.021828
"1167409"	118.072176	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+3H"	3.021828
"437242"	720.423223	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+NH4"	18.033823
"799332"	1071.617923	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+NH4"	18.033823
"1694568"	369.228523	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+NH4"	18.033823
"332641"	360.7152495	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+H+NH4"	19.041099
"727613"	536.3125995	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+H+NH4"	19.041099
"1478639"	185.1178995	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H+NH4"	19.041099
"395740"	725.378618	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+Na"	22.989218
"761109"	1076.573318	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+Na"	22.989218
"1613583"	374.183918	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Na"	22.989218
"326902"	363.192947	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+H+Na"	23.996494
"711676"	538.790297	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+H+Na"	23.996494
"1464400"	187.595597	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H+Na"	23.996494
"1060927"	125.39949	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2H+Na"	25.00377
"1263696"	384.228186	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+CH3OH+H"	33.033486
"381177"	741.352558	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+K"	38.963158
"743268"	1092.547258	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+K"	38.963158
"1545320"	390.157858	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+K"	38.963158
"301400"	371.179917	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+H+K"	39.970434
"692725"	546.777267	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+H+K"	39.970434
"1446423"	195.582567	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H+K"	39.970434
"237334"	744.423226	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+ACN+H"	42.033826
"1212228"	393.228526	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+ACN+H"	42.033826
"1195139"	197.117901	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+ACN+2H"	43.041102
"190197"	747.36056	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+2Na-H"	44.97116
"628906"	1098.55526	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+2Na-H"	44.97116
"1132540"	396.16586	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2Na-H"	44.97116
"178270"	374.183918	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+2Na"	45.978436
"613692"	549.781268	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+2Na"	45.978436
"1117689"	198.586568	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2Na"	45.978436
"1404130"	132.726804	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H+2Na"	46.985712
"1437338"	398.207446	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H+HCOOH"	47.012746
"230316"	379.21694	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+3H2O+2H"	56.04448
"1520567"	412.25949	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+IsoProp+H"	61.06479
"416973"	382.170888	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+Na+K"	61.952376
"776876"	557.768238	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+Na+K"	61.952376
"1667372"	206.573538	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Na+K"	61.952376
"261548"	766.405168	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+ACN+Na"	64.015768
"1232435"	415.210468	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+ACN+Na"	64.015768
"1718405"	415.233993	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+NH4+HCOOH"	64.039293
"1185582"	140.054118	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+3Na"	68.967654
"1658755"	420.189388	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Na+HCOOH"	68.994688
"165615"	779.30844	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+2K-H"	76.91904
"600437"	1130.50314	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+2K-H"	76.91904
"1087137"	428.11374	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2K-H"	76.91904
"145776"	390.157858	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"2M+2K"	77.926316
"586065"	565.755208	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"3M+2K"	77.926316
"1072035"	214.560508	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2K"	77.926316
"1104878"	430.128292	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2K+H"	78.933592
"1342367"	430.215907	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+DMSO+H"	79.021207
"1013089"	434.255076	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2ACN+H"	83.060376
"1532307"	435.248708	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+IsoProp+Na+H"	84.054008
"999849"	217.631176	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+2ACN+2H"	84.067652
"1594351"	436.163328	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+K+HCOOH"	84.968628
"1416730"	466.194838	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+H+CF3COOH"	115.000138
"1152487"	238.144451	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+3ACN+2H"	125.094202
"1703132"	483.221385	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+NH4+CF3COOH"	132.026685
"1646439"	488.17678	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+Na+CF3COOH"	136.98208
"1577715"	504.15072	"C20512"	"Tryprostatin B"	"C21H25N3O2"	"351.1947"	"M+K+CF3COOH"	152.95602
"814281"	367.1896	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M"	0
"987812"	348.17121	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-H2O-H"	-19.01839
"70952"	243.785790666667	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M-3H"	-3.021828
"515981"	366.182324	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M-3H"	-3.021828
"881029"	121.389257333333	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-3H"	-3.021828
"209"	366.182324	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M-2H"	-2.014552
"443174"	549.777124	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M-2H"	-2.014552
"823163"	182.587524	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-2H"	-2.014552
"86434"	733.371924	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M-H"	-1.007276
"520529"	1100.561524	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M-H"	-1.007276
"901612"	366.182324	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-H"	-1.007276
"53802"	750.398471	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M-2H+NH4"	16.019271
"492271"	1117.588071	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M-2H+NH4"	16.019271
"867888"	383.208871	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-2H+NH4"	16.019271
"42355"	755.353866	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M-2H+Na"	20.974666
"486288"	1122.543466	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M-2H+Na"	20.974666
"858620"	388.164266	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-2H+Na"	20.974666
"1631435"	388.164266	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Na-2H"	20.974666
"105776"	384.170663	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M-H+Cl"	33.962126
"540960"	567.765463	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M-H+Cl"	33.962126
"928155"	200.575863	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-H+Cl"	33.962126
"274125"	769.348602	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+Cl"	34.969402
"666547"	1136.538202	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+Cl"	34.969402
"1284419"	402.159002	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Cl"	34.969402
"26976"	771.327806	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M-2H+K"	36.948606
"470547"	1138.517406	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M-2H+K"	36.948606
"836683"	404.138206	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-2H+K"	36.948606
"1560170"	404.138206	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+K-2H"	36.948606
"950240"	412.187794	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-H+HCOOH"	44.998194
"372831"	779.377401	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+HCOOH-H"	44.998201
"360363"	793.393051	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+Hac-H"	59.013851
"1506281"	426.203451	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Hac-H"	59.013851
"973100"	434.169751	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-H+NaCOOH"	66.980151
"118722"	402.159002	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+2Cl"	69.938804
"561563"	585.753802	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+2Cl"	69.938804
"1024895"	218.564202	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2Cl"	69.938804
"1246662"	446.108485	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Br"	78.918885
"1317864"	448.164472	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Cl+HCOOH"	80.974872
"1335367"	470.146429	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Cl+NaCOOH"	102.956829
"923864"	480.175186	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M-H+CF3COOH"	112.985586
"1298749"	516.151864	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Cl+CF3COOH"	148.962264
"1381775"	332.176924	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H-2H2O"	-35.012676
"1394046"	350.1869	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H-H2O"	-17.0027
"289358"	735.386476	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+H"	1.007276
"679955"	1102.576076	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+H"	1.007276
"1358494"	368.196876	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H"	1.007276
"133205"	368.196876	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+2H"	2.014552
"574223"	551.791676	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+2H"	2.014552
"1047036"	184.602076	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2H"	2.014552
"214209"	245.800342666667	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+3H"	3.021828
"649395"	368.196876	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+3H"	3.021828
"1164239"	123.403809333333	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+3H"	3.021828
"430790"	752.413023	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+NH4"	18.033823
"796161"	1119.602623	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+NH4"	18.033823
"1685930"	385.223423	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+NH4"	18.033823
"333115"	376.7101495	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+H+NH4"	19.041099
"725536"	560.3049495	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+H+NH4"	19.041099
"1477085"	193.1153495	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H+NH4"	19.041099
"393663"	757.368418	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+Na"	22.989218
"755508"	1124.558018	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+Na"	22.989218
"1610413"	390.178818	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Na"	22.989218
"322640"	379.187847	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+H+Na"	23.996494
"712880"	562.782647	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+H+Na"	23.996494
"1471074"	195.593047	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H+Na"	23.996494
"1063225"	130.731123333333	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2H+Na"	25.00377
"1262714"	400.223086	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+CH3OH+H"	33.033486
"380194"	773.342358	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+K"	38.963158
"746659"	1140.531958	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+K"	38.963158
"1545431"	406.152758	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+K"	38.963158
"304793"	387.174817	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+H+K"	39.970434
"692106"	570.769617	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+H+K"	39.970434
"1447385"	203.580017	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H+K"	39.970434
"238172"	776.413026	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+ACN+H"	42.033826
"1212340"	409.223426	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+ACN+H"	42.033826
"1195859"	205.115351	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+ACN+2H"	43.041102
"190309"	779.35036	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+2Na-H"	44.97116
"629503"	1146.53996	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+2Na-H"	44.97116
"1132529"	412.16076	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2Na-H"	44.97116
"173391"	390.178818	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+2Na"	45.978436
"615754"	573.773618	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+2Na"	45.978436
"1121448"	206.584018	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2Na"	45.978436
"1402784"	138.058437333333	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H+2Na"	46.985712
"1434171"	414.202346	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H+HCOOH"	47.012746
"221315"	395.21184	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+3H2O+2H"	56.04448
"1513387"	428.25439	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+IsoProp+H"	61.06479
"410522"	398.165788	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+Na+K"	61.952376
"771518"	581.760588	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+Na+K"	61.952376
"1670038"	214.570988	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Na+K"	61.952376
"255098"	798.394968	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+ACN+Na"	64.015768
"1228533"	431.205368	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+ACN+Na"	64.015768
"1713204"	431.228893	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+NH4+HCOOH"	64.039293
"1179615"	145.385751333333	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+3Na"	68.967654
"1654853"	436.184288	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Na+HCOOH"	68.994688
"159164"	811.29824	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+2K-H"	76.91904
"598360"	1178.48784	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+2K-H"	76.91904
"1087245"	444.10864	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2K-H"	76.91904
"142115"	406.152758	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"2M+2K"	77.926316
"581917"	589.747558	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"3M+2K"	77.926316
"1069223"	222.557958	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2K"	77.926316
"1100978"	446.123192	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2K+H"	78.933592
"1342477"	446.210807	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+DMSO+H"	79.021207
"1018306"	450.249976	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2ACN+H"	83.060376
"1536793"	451.243608	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+IsoProp+Na+H"	84.054008
"1003240"	225.628626	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+2ACN+2H"	84.067652
"1594461"	452.158228	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+K+HCOOH"	84.968628
"1419027"	482.189738	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+H+CF3COOH"	115.000138
"1152597"	246.141901	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+3ACN+2H"	125.094202
"1702149"	499.216285	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+NH4+CF3COOH"	132.026685
"1647642"	504.17168	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+Na+CF3COOH"	136.98208
"1576732"	520.14562	"C20513"	"6-Hydroxytryprostatin B;Desmethyltryprostatin A"	"C21H25N3O3"	"367.1896"	"M+K+CF3COOH"	152.95602
"816216"	226.1681	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M"	0
"987558"	207.14971	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-H2O-H"	-19.01839
"71062"	149.771457333333	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M-3H"	-3.021828
"514634"	225.160824	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M-3H"	-3.021828
"882961"	74.3820906666667	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-3H"	-3.021828
"11376"	225.160824	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M-2H"	-2.014552
"450936"	338.244874	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M-2H"	-2.014552
"817225"	112.076774	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-2H"	-2.014552
"79984"	451.328924	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M-H"	-1.007276
"518850"	677.497024	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M-H"	-1.007276
"896008"	225.160824	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-H"	-1.007276
"47584"	468.355471	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M-2H+NH4"	16.019271
"487263"	694.523571	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M-2H+NH4"	16.019271
"867998"	242.187371	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-2H+NH4"	16.019271
"43557"	473.310866	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M-2H+Na"	20.974666
"483848"	699.478966	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M-2H+Na"	20.974666
"858733"	247.142766	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-2H+Na"	20.974666
"1628265"	247.142766	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Na-2H"	20.974666
"100419"	243.149163	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M-H+Cl"	33.962126
"538885"	356.233213	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M-H+Cl"	33.962126
"933493"	130.065113	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-H+Cl"	33.962126
"276789"	487.305602	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+Cl"	34.969402
"673222"	713.473702	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+Cl"	34.969402
"1283073"	261.137502	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Cl"	34.969402
"24899"	489.284806	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M-2H+K"	36.948606
"465189"	715.452906	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M-2H+K"	36.948606
"842992"	263.116706	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-2H+K"	36.948606
"1562469"	263.116706	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+K-2H"	36.948606
"951446"	271.166294	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-H+HCOOH"	44.998194
"374037"	497.334401	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+HCOOH-H"	44.998201
"360476"	511.350051	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+Hac-H"	59.013851
"1506758"	285.181951	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Hac-H"	59.013851
"972844"	293.148251	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-H+NaCOOH"	66.980151
"121387"	261.137502	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+2Cl"	69.938804
"562401"	374.221552	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+2Cl"	69.938804
"1026100"	148.053452	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2Cl"	69.938804
"1248960"	305.086985	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Br"	78.918885
"1316878"	307.142972	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Cl+HCOOH"	80.974872
"1335234"	329.124929	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Cl+NaCOOH"	102.956829
"923245"	339.153686	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M-H+CF3COOH"	112.985586
"1298859"	375.130364	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Cl+CF3COOH"	148.962264
"1381884"	191.155424	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H-2H2O"	-35.012676
"1394156"	209.1654	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H-H2O"	-17.0027
"288739"	453.343476	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+H"	1.007276
"680067"	679.511576	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+H"	1.007276
"1362981"	227.175376	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H"	1.007276
"135869"	227.175376	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+2H"	2.014552
"576523"	340.259426	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+2H"	2.014552
"1045324"	114.091326	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2H"	2.014552
"215412"	151.786009333333	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+3H"	3.021828
"649505"	227.175376	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+3H"	3.021828
"1167629"	76.3966426666667	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+3H"	3.021828
"429807"	470.370023	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+NH4"	18.033823
"794084"	696.538123	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+NH4"	18.033823
"1686040"	244.201923	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+NH4"	18.033823
"334318"	235.6886495	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+H+NH4"	19.041099
"733302"	348.7726995	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+H+NH4"	19.041099
"1486030"	122.6045995	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H+NH4"	19.041099
"402522"	475.325418	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+Na"	22.989218
"758049"	701.493518	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+Na"	22.989218
"1609432"	249.157318	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Na"	22.989218
"322750"	238.166347	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+H+Na"	23.996494
"711897"	351.250397	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+H+Na"	23.996494
"1471184"	125.082297	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H+Na"	23.996494
"1063336"	83.7239566666667	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2H+Na"	25.00377
"1266106"	259.201586	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+CH3OH+H"	33.033486
"385773"	491.299358	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+K"	38.963158
"745676"	717.467458	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+K"	38.963158
"1546634"	265.131258	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+K"	38.963158
"302717"	246.153317	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+H+K"	39.970434
"692585"	359.237367	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+H+K"	39.970434
"1448957"	133.069267	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H+K"	39.970434
"241932"	494.370026	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+ACN+H"	42.033826
"1212086"	268.201926	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+ACN+H"	42.033826
"1195605"	134.604601	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+ACN+2H"	43.041102
"190054"	497.30736	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+2Na-H"	44.97116
"629248"	723.47546	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+2Na-H"	44.97116
"1132270"	271.13926	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2Na-H"	44.97116
"173626"	249.157318	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+2Na"	45.978436
"622791"	362.241368	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+2Na"	45.978436
"1122651"	136.073268	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2Na"	45.978436
"1400220"	91.0512706666667	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H+2Na"	46.985712
"1434282"	273.180846	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H+HCOOH"	47.012746
"224706"	254.19034	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+3H2O+2H"	56.04448
"1519694"	287.23289	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+IsoProp+H"	61.06479
"415007"	257.144288	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+Na+K"	61.952376
"774180"	370.228338	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+Na+K"	61.952376
"1666499"	144.060238	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Na+K"	61.952376
"255937"	516.351968	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+ACN+Na"	64.015768
"1227915"	290.183868	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+ACN+Na"	64.015768
"1713151"	290.207393	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+NH4+HCOOH"	64.039293
"1181063"	98.3785846666667	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+3Na"	68.967654
"1655693"	295.162788	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Na+HCOOH"	68.994688
"160731"	529.25524	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+2K-H"	76.91904
"598105"	755.42334	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+2K-H"	76.91904
"1085168"	303.08714	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2K-H"	76.91904
"142348"	265.131258	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"2M+2K"	77.926316
"582152"	378.215308	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"3M+2K"	77.926316
"1069703"	152.047208	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2K"	77.926316
"1104011"	305.101692	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2K+H"	78.933592
"1343680"	305.189307	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+DMSO+H"	79.021207
"1019512"	309.228476	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2ACN+H"	83.060376
"1534717"	310.222108	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+IsoProp+Na+H"	84.054008
"1002258"	155.117876	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+2ACN+2H"	84.067652
"1593479"	311.136728	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+K+HCOOH"	84.968628
"1415858"	341.168238	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+H+CF3COOH"	115.000138
"1153802"	175.631151	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+3ACN+2H"	125.094202
"1712387"	358.194785	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+NH4+CF3COOH"	132.026685
"1649819"	363.15018	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+Na+CF3COOH"	136.98208
"1576842"	379.12412	"C20514"	"Cyclo(L-leucyl-L-leucyl);(3S6S)-36-Diisobutylpiperazine-25-dione"	"C12H22N2O2"	"226.1681"	"M+K+CF3COOH"	152.95602
"813769"	256.1423	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M"	0
"987302"	237.12391	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-H2O-H"	-19.01839
"70077"	169.754257333333	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M-3H"	-3.021828
"509637"	255.135024	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M-3H"	-3.021828
"881248"	84.3734906666667	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-3H"	-3.021828
"11486"	255.135024	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M-2H"	-2.014552
"449953"	383.206174	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M-2H"	-2.014552
"820103"	127.063874	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-2H"	-2.014552
"80094"	511.277324	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M-H"	-1.007276
"519286"	767.419624	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M-H"	-1.007276
"896728"	255.135024	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-H"	-1.007276
"48180"	528.303871	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M-2H+NH4"	16.019271
"487620"	784.446171	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M-2H+NH4"	16.019271
"869201"	272.161571	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-2H+NH4"	16.019271
"43667"	533.259266	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M-2H+Na"	20.974666
"483228"	789.401566	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M-2H+Na"	20.974666
"856657"	277.116966	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-2H+Na"	20.974666
"1628375"	277.116966	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Na-2H"	20.974666
"100529"	273.123363	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M-H+Cl"	33.962126
"541181"	401.194513	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M-H+Cl"	33.962126
"935789"	145.052213	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-H+Cl"	33.962126
"277628"	547.254002	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+Cl"	34.969402
"672239"	803.396302	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+Cl"	34.969402
"1283912"	291.111702	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Cl"	34.969402
"24645"	549.233206	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M-2H+K"	36.948606
"465299"	805.375506	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M-2H+K"	36.948606
"843101"	293.090906	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-2H+K"	36.948606
"1564765"	293.090906	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+K-2H"	36.948606
"952648"	301.140494	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-H+HCOOH"	44.998194
"374146"	557.282801	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+HCOOH-H"	44.998201
"359490"	571.298451	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+Hac-H"	59.013851
"1505406"	315.156151	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Hac-H"	59.013851
"971132"	323.122451	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-H+NaCOOH"	66.980151
"121857"	291.111702	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+2Cl"	69.938804
"559595"	419.182852	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+2Cl"	69.938804
"1031310"	163.040552	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2Cl"	69.938804
"1249070"	335.061185	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Br"	78.918885
"1315895"	337.117172	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Cl+HCOOH"	80.974872
"1332301"	359.099129	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Cl+NaCOOH"	102.956829
"923355"	369.127886	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M-H+CF3COOH"	112.985586
"1298969"	405.104564	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Cl+CF3COOH"	148.962264
"1380412"	221.129624	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H-2H2O"	-35.012676
"1394630"	239.1396	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H-H2O"	-17.0027
"288849"	513.291876	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+H"	1.007276
"679084"	769.434176	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+H"	1.007276
"1363091"	257.149576	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H"	1.007276
"134886"	257.149576	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+2H"	2.014552
"578820"	385.220726	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+2H"	2.014552
"1045433"	129.078426	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2H"	2.014552
"212242"	171.768809333333	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+3H"	3.021828
"650709"	257.149576	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+3H"	3.021828
"1167739"	86.3880426666667	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+3H"	3.021828
"429917"	530.318423	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+NH4"	18.033823
"794194"	786.460723	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+NH4"	18.033823
"1686150"	274.176123	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+NH4"	18.033823
"333335"	265.6628495	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+H+NH4"	19.041099
"731225"	393.7339995	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+H+NH4"	19.041099
"1481766"	137.5916995	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H+NH4"	19.041099
"397164"	535.273818	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+Na"	22.989218
"758887"	791.416118	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+Na"	22.989218
"1613914"	279.131518	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Na"	22.989218
"323953"	268.140547	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+H+Na"	23.996494
"713100"	396.211697	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+H+Na"	23.996494
"1471295"	140.069397	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H+Na"	23.996494
"1065633"	93.7153566666667	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2H+Na"	25.00377
"1267310"	289.175786	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+CH3OH+H"	33.033486
"384790"	551.247758	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+K"	38.963158
"747973"	807.390058	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+K"	38.963158
"1546744"	295.105458	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+K"	38.963158
"302827"	276.127517	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+H+K"	39.970434
"694881"	404.198667	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+H+K"	39.970434
"1449067"	148.056367	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H+K"	39.970434
"243135"	554.318426	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+ACN+H"	42.033826
"1212196"	298.176126	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+ACN+H"	42.033826
"1195349"	149.591701	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+ACN+2H"	43.041102
"189107"	557.25576	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+2Na-H"	44.97116
"628912"	813.39806	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+2Na-H"	44.97116
"1132134"	301.11346	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2Na-H"	44.97116
"173246"	279.131518	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+2Na"	45.978436
"621079"	407.202668	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+2Na"	45.978436
"1120939"	151.060368	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2Na"	45.978436
"1398666"	101.042670666667	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H+2Na"	46.985712
"1433662"	303.155046	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H+HCOOH"	47.012746
"224452"	284.16454	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+3H2O+2H"	56.04448
"1511421"	317.20709	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+IsoProp+H"	61.06479
"408540"	287.118488	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+Na+K"	61.952376
"769998"	415.189638	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+Na+K"	61.952376
"1665748"	159.047338	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Na+K"	61.952376
"256047"	576.300368	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+ACN+Na"	64.015768
"1225715"	320.158068	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+ACN+Na"	64.015768
"1713145"	320.181593	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+NH4+HCOOH"	64.039293
"1179714"	108.369984666667	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+3Na"	68.967654
"1653617"	325.136988	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Na+HCOOH"	68.994688
"159384"	589.20364	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+2K-H"	76.91904
"597485"	845.34594	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+2K-H"	76.91904
"1085643"	333.06134	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2K-H"	76.91904
"142822"	295.105458	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"2M+2K"	77.926316
"582383"	423.176608	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"3M+2K"	77.926316
"1070175"	167.034308	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2K"	77.926316
"1104121"	335.075892	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2K+H"	78.933592
"1342697"	335.163507	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+DMSO+H"	79.021207
"1019986"	339.202676	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2ACN+H"	83.060376
"1533734"	340.196308	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+IsoProp+Na+H"	84.054008
"1001275"	170.104976	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+2ACN+2H"	84.067652
"1593589"	341.110928	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+K+HCOOH"	84.968628
"1415968"	371.142438	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+H+CF3COOH"	115.000138
"1153912"	190.618251	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+3ACN+2H"	125.094202
"1710025"	388.168985	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+NH4+CF3COOH"	132.026685
"1649842"	393.12438	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+Na+CF3COOH"	136.98208
"1576952"	409.09832	"C20515"	"Pulcherriminic acid;25-Dihydroxy-36-bis(2-methylpropyl)pyrazine bis-N-oxide"	"C12H20N2O4"	"256.1423"	"M+K+CF3COOH"	152.95602
"814973"	326.1267	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M"	0
"987413"	307.10831	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-H2O-H"	-19.01839
"69094"	216.410524	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M-3H"	-3.021828
"509747"	325.119424	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M-3H"	-3.021828
"889742"	107.701624	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-3H"	-3.021828
"14147"	325.119424	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M-2H"	-2.014552
"453342"	488.182774	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M-2H"	-2.014552
"825679"	162.056074	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-2H"	-2.014552
"88951"	651.246124	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M-H"	-1.007276
"527417"	977.372824	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M-H"	-1.007276
"904128"	325.119424	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-H"	-1.007276
"48174"	668.272671	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M-2H+NH4"	16.019271
"488707"	994.399371	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M-2H+NH4"	16.019271
"869311"	342.145971	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-2H+NH4"	16.019271
"43412"	673.228066	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M-2H+Na"	20.974666
"478963"	999.354766	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M-2H+Na"	20.974666
"855671"	347.101366	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-2H+Na"	20.974666
"1628485"	347.101366	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Na-2H"	20.974666
"101732"	343.107763	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M-H+Cl"	33.962126
"542385"	506.171113	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M-H+Cl"	33.962126
"933713"	180.044413	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-H+Cl"	33.962126
"274458"	687.222802	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+Cl"	34.969402
"672349"	1013.349502	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+Cl"	34.969402
"1285116"	361.096102	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Cl"	34.969402
"23662"	689.202006	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M-2H+K"	36.948606
"467597"	1015.328706	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M-2H+K"	36.948606
"844306"	363.075306	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-2H+K"	36.948606
"1564876"	363.075306	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+K-2H"	36.948606
"951665"	371.124894	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-H+HCOOH"	44.998194
"372800"	697.251601	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+HCOOH-H"	44.998201
"358507"	711.267251	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+Hac-H"	59.013851
"1507583"	385.140551	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Hac-H"	59.013851
"973430"	393.106851	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-H+NaCOOH"	66.980151
"123063"	361.096102	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+2Cl"	69.938804
"564081"	524.159452	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+2Cl"	69.938804
"1033972"	198.032752	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2Cl"	69.938804
"1252460"	405.045585	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Br"	78.918885
"1316003"	407.101572	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Cl+HCOOH"	80.974872
"1334961"	429.083529	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Cl+NaCOOH"	102.956829
"922372"	439.112286	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M-H+CF3COOH"	112.985586
"1299079"	475.088964	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Cl+CF3COOH"	148.962264
"1380522"	291.114024	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H-2H2O"	-35.012676
"1394740"	309.124	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H-H2O"	-17.0027
"288959"	653.260676	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+H"	1.007276
"679194"	979.387376	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+H"	1.007276
"1365388"	327.133976	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H"	1.007276
"134996"	327.133976	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+2H"	2.014552
"575650"	490.197326	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+2H"	2.014552
"1047730"	164.070626	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2H"	2.014552
"215633"	218.425076	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+3H"	3.021828
"653005"	327.133976	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+3H"	3.021828
"1166756"	109.716176	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+3H"	3.021828
"430027"	670.287223	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+NH4"	18.033823
"795397"	996.413923	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+NH4"	18.033823
"1686260"	344.160523	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+NH4"	18.033823
"335632"	335.6472495	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+H+NH4"	19.041099
"734615"	498.7105995	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+H+NH4"	19.041099
"1482240"	172.5838995	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H+NH4"	19.041099
"397274"	675.242618	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+Na"	22.989218
"761549"	1001.369318	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+Na"	22.989218
"1612931"	349.115918	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Na"	22.989218
"322968"	338.124947	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+H+Na"	23.996494
"718677"	501.188297	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+H+Na"	23.996494
"1476274"	175.061597	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H+Na"	23.996494
"1067567"	117.04349	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2H+Na"	25.00377
"1269606"	359.160186	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+CH3OH+H"	33.033486
"382713"	691.216558	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+K"	38.963158
"749176"	1017.343258	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+K"	38.963158
"1545761"	365.089858	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+K"	38.963158
"302937"	346.111917	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+H+K"	39.970434
"696450"	509.175267	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+H+K"	39.970434
"1450270"	183.048567	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H+K"	39.970434
"244338"	694.287226	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+ACN+H"	42.033826
"1213765"	368.160526	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+ACN+H"	42.033826
"1196918"	184.583901	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+ACN+2H"	43.041102
"191611"	697.22456	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+2Na-H"	44.97116
"630077"	1023.35126	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+2Na-H"	44.97116
"1132247"	371.09786	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2Na-H"	44.97116
"176884"	349.115918	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+2Na"	45.978436
"623011"	512.179268	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+2Na"	45.978436
"1122507"	186.052568	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2Na"	45.978436
"1399469"	124.370804	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H+2Na"	46.985712
"1430977"	373.139446	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H+HCOOH"	47.012746
"224198"	354.14894	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+3H2O+2H"	56.04448
"1510438"	387.19149	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+IsoProp+H"	61.06479
"408827"	357.102888	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+Na+K"	61.952376
"770186"	520.166238	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+Na+K"	61.952376
"1665986"	194.039538	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Na+K"	61.952376
"257980"	716.269168	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+ACN+Na"	64.015768
"1225946"	390.142468	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+ACN+Na"	64.015768
"1713133"	390.165993	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+NH4+HCOOH"	64.039293
"1181647"	131.698118	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+3Na"	68.967654
"1658099"	395.121388	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Na+HCOOH"	68.994688
"161682"	729.17244	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+2K-H"	76.91904
"601243"	1055.29914	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+2K-H"	76.91904
"1091223"	403.04574	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2K-H"	76.91904
"143665"	365.089858	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"2M+2K"	77.926316
"584316"	528.153208	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"3M+2K"	77.926316
"1071016"	202.026508	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2K"	77.926316
"1103138"	405.060292	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2K+H"	78.933592
"1341715"	405.147907	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+DMSO+H"	79.021207
"1015718"	409.187076	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2ACN+H"	83.060376
"1532748"	410.180708	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+IsoProp+Na+H"	84.054008
"997009"	205.097176	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+2ACN+2H"	84.067652
"1593699"	411.095328	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+K+HCOOH"	84.968628
"1416078"	441.126838	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+H+CF3COOH"	115.000138
"1150740"	225.610451	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+3ACN+2H"	125.094202
"1707948"	458.153385	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+NH4+CF3COOH"	132.026685
"1649067"	463.10878	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+Na+CF3COOH"	136.98208
"1577062"	479.08272	"C20516"	"Cyclo(L-tyrosyl-L-tyrosyl)"	"C18H18N2O4"	"326.1267"	"M+K+CF3COOH"	152.95602
"813991"	324.111	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M"	0
"988617"	305.09261	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-H2O-H"	-19.01839
"77953"	215.066724	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M-3H"	-3.021828
"509858"	323.103724	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M-3H"	-3.021828
"892771"	107.029724	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-3H"	-3.021828
"10618"	323.103724	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M-2H"	-2.014552
"453821"	485.159224	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M-2H"	-2.014552
"830531"	161.048224	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-2H"	-2.014552
"89067"	647.214724	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M-H"	-1.007276
"531538"	971.325724	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M-H"	-1.007276
"906426"	323.103724	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-H"	-1.007276
"50959"	664.241271	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M-2H+NH4"	16.019271
"493800"	988.352271	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M-2H+NH4"	16.019271
"866140"	340.130271	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-2H+NH4"	16.019271
"34162"	669.196666	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M-2H+Na"	20.974666
"479073"	993.307666	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M-2H+Na"	20.974666
"855781"	345.085666	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-2H+Na"	20.974666
"1628595"	345.085666	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Na-2H"	20.974666
"104029"	341.092063	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M-H+Cl"	33.962126
"541402"	503.147563	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M-H+Cl"	33.962126
"934917"	179.036563	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-H+Cl"	33.962126
"275661"	683.191402	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+Cl"	34.969402
"671366"	1007.302402	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+Cl"	34.969402
"1284862"	359.080402	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Cl"	34.969402
"24136"	685.170606	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M-2H+K"	36.948606
"471356"	1009.281606	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M-2H+K"	36.948606
"847657"	361.059606	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-2H+K"	36.948606
"1566080"	361.059606	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+K-2H"	36.948606
"956154"	369.109194	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-H+HCOOH"	44.998194
"375828"	693.220201	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+HCOOH-H"	44.998201
"360685"	707.235851	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+Hac-H"	59.013851
"1507450"	383.124851	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Hac-H"	59.013851
"971720"	391.091151	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-H+NaCOOH"	66.980151
"123538"	359.080402	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+2Cl"	69.938804
"563826"	521.135902	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+2Cl"	69.938804
"1036269"	197.024902	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2Cl"	69.938804
"1251477"	403.029885	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Br"	78.918885
"1311740"	405.085872	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Cl+HCOOH"	80.974872
"1333612"	427.067829	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Cl+NaCOOH"	102.956829
"920296"	437.096586	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M-H+CF3COOH"	112.985586
"1299189"	473.073264	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Cl+CF3COOH"	148.962264
"1379539"	289.098324	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H-2H2O"	-35.012676
"1391570"	307.1083	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H-H2O"	-17.0027
"289069"	649.229276	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+H"	1.007276
"679304"	973.340276	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+H"	1.007276
"1363311"	325.118276	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H"	1.007276
"132919"	325.118276	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+2H"	2.014552
"570292"	487.173776	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+2H"	2.014552
"1045652"	163.062776	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2H"	2.014552
"214649"	217.081276	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+3H"	3.021828
"653115"	325.118276	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+3H"	3.021828
"1166866"	109.044276	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+3H"	3.021828
"426857"	666.255823	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+NH4"	18.033823
"794414"	990.366823	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+NH4"	18.033823
"1687463"	342.144823	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+NH4"	18.033823
"333555"	333.6315495	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+H+NH4"	19.041099
"723791"	495.6870495	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+H+NH4"	19.041099
"1481257"	171.5760495	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H+NH4"	19.041099
"395561"	671.211218	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+Na"	22.989218
"760562"	995.322218	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+Na"	22.989218
"1610854"	347.100218	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Na"	22.989218
"323078"	336.109247	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+H+Na"	23.996494
"719880"	498.164747	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+H+Na"	23.996494
"1476700"	174.053747	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H+Na"	23.996494
"1068082"	116.37159	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2H+Na"	25.00377
"1268622"	357.144486	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+CH3OH+H"	33.033486
"382823"	687.185158	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+K"	38.963158
"749286"	1011.296158	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+K"	38.963158
"1545871"	363.074158	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+K"	38.963158
"303047"	344.096217	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+H+K"	39.970434
"698746"	506.151717	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+H+K"	39.970434
"1450380"	182.040717	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H+K"	39.970434
"247728"	690.255826	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+ACN+H"	42.033826
"1219343"	366.144826	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+ACN+H"	42.033826
"1199947"	183.576051	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+ACN+2H"	43.041102
"193910"	693.19316	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+2Na-H"	44.97116
"634565"	1017.30416	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+2Na-H"	44.97116
"1132361"	369.08216	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2Na-H"	44.97116
"177358"	347.100218	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+2Na"	45.978436
"622028"	509.155718	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+2Na"	45.978436
"1125533"	185.044718	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2Na"	45.978436
"1402859"	123.698904	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H+2Na"	46.985712
"1434611"	371.123746	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H+HCOOH"	47.012746
"227588"	352.13324	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+3H2O+2H"	56.04448
"1514557"	385.17579	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+IsoProp+H"	61.06479
"412056"	355.087188	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+Na+K"	61.952376
"771104"	517.142688	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+Na+K"	61.952376
"1667921"	193.031688	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Na+K"	61.952376
"255903"	712.237768	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+ACN+Na"	64.015768
"1228610"	388.126768	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+ACN+Na"	64.015768
"1715311"	388.150293	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+NH4+HCOOH"	64.039293
"1182852"	131.026218	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+3Na"	68.967654
"1658211"	393.105688	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Na+HCOOH"	68.994688
"165072"	725.14104	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+2K-H"	76.91904
"603539"	1049.25204	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+2K-H"	76.91904
"1093519"	401.03004	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2K-H"	76.91904
"145961"	363.074158	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"2M+2K"	77.926316
"583699"	525.129658	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"3M+2K"	77.926316
"1073313"	201.018658	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2K"	77.926316
"1104341"	403.044592	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2K+H"	78.933592
"1341825"	403.132207	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+DMSO+H"	79.021207
"1006467"	407.171376	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2ACN+H"	83.060376
"1525442"	408.165008	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+IsoProp+Na+H"	84.054008
"991652"	204.089326	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+2ACN+2H"	84.067652
"1588342"	409.079628	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+K+HCOOH"	84.968628
"1414524"	439.111138	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+H+CF3COOH"	115.000138
"1151944"	224.602601	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+3ACN+2H"	125.094202
"1701497"	456.137685	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+NH4+CF3COOH"	132.026685
"1639334"	461.09308	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+Na+CF3COOH"	136.98208
"1577172"	477.06702	"C20517"	"Mycocyclosin"	"C18H16N2O4"	"324.111"	"M+K+CF3COOH"	152.95602
"813006"	732.6397	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M"	0
"988606"	713.62131	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-H2O-H"	-19.01839
"71501"	487.419190666667	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M-3H"	-3.021828
"509966"	731.632424	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M-3H"	-3.021828
"888870"	243.205957333333	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-3H"	-3.021828
"15097"	731.632424	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M-2H"	-2.014552
"455023"	1097.952274	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M-2H"	-2.014552
"830271"	365.312574	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-2H"	-2.014552
"92090"	1464.272124	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M-H"	-1.007276
"528731"	2196.911824	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M-H"	-1.007276
"906536"	731.632424	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-H"	-1.007276
"54349"	1481.298671	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M-2H+NH4"	16.019271
"495004"	2213.938371	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M-2H+NH4"	16.019271
"867343"	748.658971	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-2H+NH4"	16.019271
"34151"	1486.254066	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M-2H+Na"	20.974666
"475899"	2218.893766	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M-2H+Na"	20.974666
"856984"	753.614366	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-2H+Na"	20.974666
"1629434"	753.614366	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Na-2H"	20.974666
"104139"	749.620763	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M-H+Cl"	33.962126
"542605"	1115.940613	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M-H+Cl"	33.962126
"935027"	383.300913	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-H+Cl"	33.962126
"276500"	1500.248802	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+Cl"	34.969402
"672205"	2232.888502	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+Cl"	34.969402
"1285336"	767.609102	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Cl"	34.969402
"27162"	1502.228006	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M-2H+K"	36.948606
"469274"	2234.867706	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M-2H+K"	36.948606
"847078"	769.588306	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-2H+K"	36.948606
"1564003"	769.588306	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+K-2H"	36.948606
"951886"	777.637894	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-H+HCOOH"	44.998194
"366820"	1510.277601	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+HCOOH-H"	44.998201
"356172"	1524.293251	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+Hac-H"	59.013851
"1505371"	791.653551	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Hac-H"	59.013851
"971819"	799.619851	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-H+NaCOOH"	66.980151
"123653"	767.609102	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+2Cl"	69.938804
"562477"	1133.928952	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+2Cl"	69.938804
"1032004"	401.289252	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2Cl"	69.938804
"1252680"	811.558585	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Br"	78.918885
"1312943"	813.614572	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Cl+HCOOH"	80.974872
"1332265"	835.596529	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Cl+NaCOOH"	102.956829
"924050"	845.625286	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M-H+CF3COOH"	112.985586
"1298935"	881.601964	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Cl+CF3COOH"	148.962264
"1380378"	697.627024	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H-2H2O"	-35.012676
"1388400"	715.637	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H-H2O"	-17.0027
"284074"	1466.286676	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+H"	1.007276
"676981"	2198.926376	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+H"	1.007276
"1362324"	733.646976	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H"	1.007276
"130839"	733.646976	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+2H"	2.014552
"571495"	1099.966826	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+2H"	2.014552
"1045762"	367.327126	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2H"	2.014552
"215852"	489.433742666667	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+3H"	3.021828
"651039"	733.646976	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+3H"	3.021828
"1166976"	245.220509333333	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+3H"	3.021828
"426967"	1483.313223	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+NH4"	18.033823
"793431"	2215.952923	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+NH4"	18.033823
"1686480"	750.673523	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+NH4"	18.033823
"335852"	742.1602495	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+H+NH4"	19.041099
"723536"	1108.4800995	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+H+NH4"	19.041099
"1481731"	375.8403995	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H+NH4"	19.041099
"396766"	1488.268618	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+Na"	22.989218
"756300"	2220.908318	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+Na"	22.989218
"1608776"	755.628918	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Na"	22.989218
"315532"	744.637947	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+H+Na"	23.996494
"717804"	1110.957797	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+H+Na"	23.996494
"1473811"	378.318097	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H+Na"	23.996494
"1066329"	252.547823333333	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2H+Na"	25.00377
"1268732"	765.673186	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+CH3OH+H"	33.033486
"384025"	1504.242558	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+K"	38.963158
"749396"	2236.882258	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+K"	38.963158
"1547074"	771.602858	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+K"	38.963158
"303157"	752.624917	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+H+K"	39.970434
"697763"	1118.944767	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+H+K"	39.970434
"1451583"	386.305067	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H+K"	39.970434
"245651"	1507.313226	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+ACN+H"	42.033826
"1218359"	774.673526	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+ACN+H"	42.033826
"1198964"	387.840401	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+ACN+2H"	43.041102
"191834"	1510.25056	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+2Na-H"	44.97116
"631395"	2242.89026	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+2Na-H"	44.97116
"1131861"	777.61086	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2Na-H"	44.97116
"177468"	755.628918	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+2Na"	45.978436
"621045"	1121.948768	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+2Na"	45.978436
"1125643"	389.309068	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2Na"	45.978436
"1402605"	259.875137333333	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H+2Na"	46.985712
"1433628"	779.652446	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H+HCOOH"	47.012746
"227698"	760.66194	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+3H2O+2H"	56.04448
"1514667"	793.70449	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+IsoProp+H"	61.06479
"411437"	763.615888	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+Na+K"	61.952376
"771094"	1129.935738	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+Na+K"	61.952376
"1669490"	397.296038	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Na+K"	61.952376
"256013"	1529.295168	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+ACN+Na"	64.015768
"1229814"	796.655468	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+ACN+Na"	64.015768
"1714328"	796.678993	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+NH4+HCOOH"	64.039293
"1187336"	267.202451333333	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+3Na"	68.967654
"1661601"	801.634388	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Na+HCOOH"	68.994688
"164089"	1542.19844	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+2K-H"	76.91904
"603650"	2274.83814	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+2K-H"	76.91904
"1087069"	809.55874	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2K-H"	76.91904
"148259"	771.602858	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"2M+2K"	77.926316
"585633"	1137.922708	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"3M+2K"	77.926316
"1071600"	405.283008	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2K"	77.926316
"1103722"	811.573292	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2K+H"	78.933592
"1340839"	811.660907	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+DMSO+H"	79.021207
"1008276"	815.700076	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2ACN+H"	83.060376
"1525916"	816.693708	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+IsoProp+Na+H"	84.054008
"991881"	408.353676	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+2ACN+2H"	84.067652
"1587718"	817.608328	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+K+HCOOH"	84.968628
"1415079"	847.639838	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+H+CF3COOH"	115.000138
"1147229"	428.866951	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+3ACN+2H"	125.094202
"1698446"	864.666385	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+NH4+CF3COOH"	132.026685
"1639444"	869.62178	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+Na+CF3COOH"	136.98208
"1577282"	885.59572	"C20518"	"23-Bis-(O-phytanyl)-sn-glycerol 1-phosphate"	"C43H89O6P"	"732.6397"	"M+K+CF3COOH"	152.95602
"813116"	260.1525	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M"	0
"986650"	241.13411	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-H2O-H"	-19.01839
"69424"	172.427724	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M-3H"	-3.021828
"508983"	259.145224	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M-3H"	-3.021828
"891167"	85.710224	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-3H"	-3.021828
"14845"	259.145224	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M-2H"	-2.014552
"454041"	389.221474	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M-2H"	-2.014552
"830381"	129.068974	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-2H"	-2.014552
"90380"	519.297724	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M-H"	-1.007276
"531028"	779.450224	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M-H"	-1.007276
"904461"	259.145224	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-H"	-1.007276
"54459"	536.324271	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M-2H+NH4"	16.019271
"496208"	796.476771	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M-2H+NH4"	16.019271
"869640"	276.171771	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-2H+NH4"	16.019271
"36447"	541.279666	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M-2H+Na"	20.974666
"474915"	801.432166	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M-2H+Na"	20.974666
"852716"	281.127166	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-2H+Na"	20.974666
"1621155"	281.127166	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Na-2H"	20.974666
"97687"	277.133563	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M-H+Cl"	33.962126
"542715"	407.209813	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M-H+Cl"	33.962126
"932950"	147.057313	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-H+Cl"	33.962126
"275881"	555.274402	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+Cl"	34.969402
"674137"	815.426902	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+Cl"	34.969402
"1284717"	295.121902	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Cl"	34.969402
"25815"	557.253606	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M-2H+K"	36.948606
"468292"	817.406106	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M-2H+K"	36.948606
"847553"	297.101106	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-2H+K"	36.948606
"1564113"	297.101106	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+K-2H"	36.948606
"951996"	305.150694	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-H+HCOOH"	44.998194
"369116"	565.303201	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+HCOOH-H"	44.998201
"356282"	579.318851	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+Hac-H"	59.013851
"1505481"	319.166351	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Hac-H"	59.013851
"971200"	327.132651	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-H+NaCOOH"	66.980151
"123760"	295.121902	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+2Cl"	69.938804
"562951"	425.198152	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+2Cl"	69.938804
"1033937"	165.045652	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2Cl"	69.938804
"1251697"	339.071385	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Br"	78.918885
"1311960"	341.127372	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Cl+HCOOH"	80.974872
"1331646"	363.109329	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Cl+NaCOOH"	102.956829
"916140"	373.138086	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M-H+CF3COOH"	112.985586
"1296129"	409.114764	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Cl+CF3COOH"	148.962264
"1371009"	225.139824	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H-2H2O"	-35.012676
"1388510"	243.1498	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H-H2O"	-17.0027
"289289"	521.312276	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+H"	1.007276
"677330"	781.464776	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+H"	1.007276
"1351979"	261.159776	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H"	1.007276
"127669"	261.159776	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+2H"	2.014552
"567592"	391.236026	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+2H"	2.014552
"1044779"	131.083526	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2H"	2.014552
"214869"	174.442276	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+3H"	3.021828
"651149"	261.159776	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+3H"	3.021828
"1167086"	87.724776	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+3H"	3.021828
"427077"	538.338823	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+NH4"	18.033823
"794634"	798.491323	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+NH4"	18.033823
"1686590"	278.186323	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+NH4"	18.033823
"335962"	269.6730495	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+H+NH4"	19.041099
"726562"	399.7492995	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+H+NH4"	19.041099
"1478925"	139.5967995	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H+NH4"	19.041099
"396876"	543.294218	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+Na"	22.989218
"755316"	803.446718	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+Na"	22.989218
"1607062"	283.141718	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Na"	22.989218
"316370"	272.150747	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+H+Na"	23.996494
"715727"	402.226997	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+H+Na"	23.996494
"1471733"	142.074497	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H+Na"	23.996494
"1064979"	95.05209	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2H+Na"	25.00377
"1264468"	293.185986	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+CH3OH+H"	33.033486
"381948"	559.268158	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+K"	38.963158
"746225"	819.420658	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+K"	38.963158
"1543904"	299.115658	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+K"	38.963158
"303266"	280.137717	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+H+K"	39.970434
"694591"	410.213967	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+H+K"	39.970434
"1450599"	150.061467	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H+K"	39.970434
"245761"	562.338826	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+ACN+H"	42.033826
"1215189"	302.186326	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+ACN+H"	42.033826
"1195791"	151.596801	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+ACN+2H"	43.041102
"189757"	565.27616	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+2Na-H"	44.97116
"630042"	825.42866	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+2Na-H"	44.97116
"1132090"	305.12366	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2Na-H"	44.97116
"172885"	283.141718	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+2Na"	45.978436
"612814"	413.217968	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+2Na"	45.978436
"1122473"	153.065468	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2Na"	45.978436
"1403078"	102.379404	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H+2Na"	46.985712
"1437018"	307.165246	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H+HCOOH"	47.012746
"225621"	288.17474	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+3H2O+2H"	56.04448
"1514048"	321.21729	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+IsoProp+H"	61.06479
"417743"	291.128688	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+Na+K"	61.952376
"772540"	421.204938	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+Na+K"	61.952376
"1669600"	161.052438	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Na+K"	61.952376
"254300"	584.320768	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+ACN+Na"	64.015768
"1229924"	324.168268	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+ACN+Na"	64.015768
"1715164"	324.191793	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+NH4+HCOOH"	64.039293
"1188539"	109.706718	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+3Na"	68.967654
"1658431"	329.147188	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Na+HCOOH"	68.994688
"162012"	597.22404	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+2K-H"	76.91904
"605946"	857.37654	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+2K-H"	76.91904
"1088271"	337.07154	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2K-H"	76.91904
"148366"	299.115658	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"2M+2K"	77.926316
"583554"	429.191908	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"3M+2K"	77.926316
"1069889"	169.039408	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2K"	77.926316
"1106747"	339.086092	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2K+H"	78.933592
"1342042"	339.173707	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+DMSO+H"	79.021207
"1008387"	343.212876	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2ACN+H"	83.060376
"1527606"	344.206508	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+IsoProp+Na+H"	84.054008
"991870"	172.110076	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+2ACN+2H"	84.067652
"1587828"	345.121128	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+K+HCOOH"	84.968628
"1415313"	375.152638	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+H+CF3COOH"	115.000138
"1147421"	192.623351	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+3ACN+2H"	125.094202
"1698435"	392.179185	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+NH4+CF3COOH"	132.026685
"1639554"	397.13458	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+Na+CF3COOH"	136.98208
"1577392"	413.10852	"C20519"	"Cyclo(L-leucyl-L-phenylalanyl);(3S6S)-3-Benzyl-6-(2-methylpropyl)piperazine-25-dione"	"C15H20N2O2"	"260.1525"	"M+K+CF3COOH"	152.95602
"813227"	256.1212	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M"	0
"986760"	237.10281	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-H2O-H"	-19.01839
"77758"	169.740190666667	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M-3H"	-3.021828
"509095"	255.113924	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M-3H"	-3.021828
"889090"	84.3664573333333	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-3H"	-3.021828
"13132"	255.113924	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M-2H"	-2.014552
"452696"	383.174524	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M-2H"	-2.014552
"828304"	127.053324	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-2H"	-2.014552
"89760"	511.235124	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M-H"	-1.007276
"527859"	767.356324	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M-H"	-1.007276
"902384"	255.113924	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-H"	-1.007276
"51291"	528.261671	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M-2H+NH4"	16.019271
"491945"	784.382871	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M-2H+NH4"	16.019271
"870845"	272.140471	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-2H+NH4"	16.019271
"32058"	533.217066	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M-2H+Na"	20.974666
"473932"	789.338266	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M-2H+Na"	20.974666
"851733"	277.095866	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-2H+Na"	20.974666
"1619119"	277.095866	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Na-2H"	20.974666
"101808"	273.102263	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M-H+Cl"	33.962126
"540638"	401.162863	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M-H+Cl"	33.962126
"931966"	145.041663	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-H+Cl"	33.962126
"273075"	547.211802	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+Cl"	34.969402
"673518"	803.333002	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+Cl"	34.969402
"1284829"	291.090602	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Cl"	34.969402
"27383"	549.191006	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M-2H+K"	36.948606
"469862"	805.312206	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M-2H+K"	36.948606
"845477"	293.069806	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-2H+K"	36.948606
"1565316"	293.069806	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+K-2H"	36.948606
"952107"	301.119394	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-H+HCOOH"	44.998194
"372144"	557.240601	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+HCOOH-H"	44.998201
"354205"	571.256251	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+Hac-H"	59.013851
"1505227"	315.135051	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Hac-H"	59.013851
"972408"	323.101351	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-H+NaCOOH"	66.980151
"124234"	291.090602	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+2Cl"	69.938804
"563428"	419.151202	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+2Cl"	69.938804
"1031860"	163.030002	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2Cl"	69.938804
"1251446"	335.040085	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Br"	78.918885
"1315352"	337.096072	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Cl+HCOOH"	80.974872
"1333578"	359.078029	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Cl+NaCOOH"	102.956829
"918437"	369.106786	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M-H+CF3COOH"	112.985586
"1296239"	405.083464	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Cl+CF3COOH"	148.962264
"1373306"	221.108524	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H-2H2O"	-35.012676
"1394088"	239.1185	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H-H2O"	-17.0027
"291587"	513.249676	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+H"	1.007276
"676352"	769.370876	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+H"	1.007276
"1353793"	257.128476	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H"	1.007276
"127779"	257.128476	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+2H"	2.014552
"571713"	385.189076	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+2H"	2.014552
"1043796"	129.067876	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2H"	2.014552
"218626"	171.754742666667	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+3H"	3.021828
"651259"	257.128476	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+3H"	3.021828
"1166103"	86.3810093333333	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+3H"	3.021828
"430469"	530.276223	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+NH4"	18.033823
"795839"	786.397423	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+NH4"	18.033823
"1691076"	274.155023	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+NH4"	18.033823
"336072"	265.6417495	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+H+NH4"	19.041099
"724486"	393.7023495	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+H+NH4"	19.041099
"1479035"	137.5811495	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H+NH4"	19.041099
"396622"	535.231618	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+Na"	22.989218
"755063"	791.352818	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+Na"	22.989218
"1605715"	279.110418	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Na"	22.989218
"326692"	268.119447	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+H+Na"	23.996494
"716928"	396.180047	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+H+Na"	23.996494
"1473666"	140.058847	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H+Na"	23.996494
"1063632"	93.7083233333333	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2H+Na"	25.00377
"1263485"	289.154686	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+CH3OH+H"	33.033486
"383154"	551.205558	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+K"	38.963158
"748524"	807.326758	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+K"	38.963158
"1547295"	295.084358	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+K"	38.963158
"300096"	276.106417	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+H+K"	39.970434
"695794"	404.167017	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+H+K"	39.970434
"1452894"	148.045817	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H+K"	39.970434
"241497"	554.276226	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+ACN+H"	42.033826
"1218580"	298.155026	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+ACN+H"	42.033826
"1196268"	149.581151	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+ACN+2H"	43.041102
"190959"	557.21356	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+2Na-H"	44.97116
"631249"	813.33476	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+2Na-H"	44.97116
"1132928"	301.09236	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2Na-H"	44.97116
"172929"	279.110418	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+2Na"	45.978436
"614086"	407.171018	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+2Na"	45.978436
"1121484"	151.049818	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2Na"	45.978436
"1407200"	101.035637333333	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H+2Na"	46.985712
"1432756"	303.133946	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H+HCOOH"	47.012746
"225732"	284.14344	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+3H2O+2H"	56.04448
"1513793"	317.18599	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+IsoProp+H"	61.06479
"417852"	287.097388	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+Na+K"	61.952376
"774108"	415.157988	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+Na+K"	61.952376
"1670804"	159.036788	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Na+K"	61.952376
"253317"	576.258168	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+ACN+Na"	64.015768
"1235501"	320.136968	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+ACN+Na"	64.015768
"1718921"	320.160493	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+NH4+HCOOH"	64.039293
"1182088"	108.362951333333	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+3Na"	68.967654
"1655261"	325.115888	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Na+HCOOH"	68.994688
"168683"	589.16144	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+2K-H"	76.91904
"602775"	845.28264	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+2K-H"	76.91904
"1093849"	333.04024	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2K-H"	76.91904
"149572"	295.084358	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"2M+2K"	77.926316
"584758"	423.144958	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"3M+2K"	77.926316
"1073644"	167.023758	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2K"	77.926316
"1103573"	335.054792	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2K+H"	78.933592
"1339966"	335.142407	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+DMSO+H"	79.021207
"1008497"	339.181576	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2ACN+H"	83.060376
"1525892"	340.175208	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+IsoProp+Na+H"	84.054008
"990641"	170.094426	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+2ACN+2H"	84.067652
"1590858"	341.089828	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+K+HCOOH"	84.968628
"1416518"	371.121338	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+H+CF3COOH"	115.000138
"1151180"	190.607701	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+3ACN+2H"	125.094202
"1697811"	388.147885	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+NH4+CF3COOH"	132.026685
"1635289"	393.10328	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+Na+CF3COOH"	136.98208
"1577502"	409.07722	"C20520"	"Albonoursin;(3Z6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-25-dione"	"C15H16N2O2"	"256.1212"	"M+K+CF3COOH"	152.95602
"813336"	258.1368	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M"	0
"982496"	239.11841	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-H2O-H"	-19.01839
"76206"	171.083924	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M-3H"	-3.021828
"507018"	257.129524	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M-3H"	-3.021828
"885919"	85.038324	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-3H"	-3.021828
"13240"	257.129524	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M-2H"	-2.014552
"453896"	386.197924	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M-2H"	-2.014552
"830601"	128.061124	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-2H"	-2.014552
"91933"	515.266324	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M-H"	-1.007276
"527970"	773.403124	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M-H"	-1.007276
"902493"	257.129524	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-H"	-1.007276
"51401"	532.292871	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M-2H+NH4"	16.019271
"492055"	790.429671	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M-2H+NH4"	16.019271
"873141"	274.156071	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-2H+NH4"	16.019271
"31530"	537.248266	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M-2H+Na"	20.974666
"475134"	795.385066	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M-2H+Na"	20.974666
"850748"	279.111466	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-2H+Na"	20.974666
"1620282"	279.111466	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Na-2H"	20.974666
"103374"	275.117863	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M-H+Cl"	33.962126
"545121"	404.186263	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M-H+Cl"	33.962126
"936084"	146.049463	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-H+Cl"	33.962126
"276464"	551.243002	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+Cl"	34.969402
"670710"	809.379802	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+Cl"	34.969402
"1282022"	293.106202	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Cl"	34.969402
"28219"	553.222206	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M-2H+K"	36.948606
"468147"	811.359006	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M-2H+K"	36.948606
"840846"	295.085406	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-2H+K"	36.948606
"1567608"	295.085406	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+K-2H"	36.948606
"952217"	303.134994	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-H+HCOOH"	44.998194
"369338"	561.271801	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+HCOOH-H"	44.998201
"354315"	575.287451	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+Hac-H"	59.013851
"1502054"	317.150651	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Hac-H"	59.013851
"973612"	325.116951	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-H+NaCOOH"	66.980151
"124711"	293.106202	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+2Cl"	69.938804
"564146"	422.174602	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+2Cl"	69.938804
"1029054"	164.037802	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2Cl"	69.938804
"1256172"	337.055685	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Br"	78.918885
"1318377"	339.111672	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Cl+HCOOH"	80.974872
"1335147"	361.093629	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Cl+NaCOOH"	102.956829
"918547"	371.122386	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M-H+CF3COOH"	112.985586
"1296349"	407.099064	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Cl+CF3COOH"	148.962264
"1375602"	223.124124	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H-2H2O"	-35.012676
"1392011"	241.1341	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H-H2O"	-17.0027
"289510"	517.280876	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+H"	1.007276
"679012"	775.417676	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+H"	1.007276
"1354996"	259.144076	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H"	1.007276
"127159"	259.144076	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+2H"	2.014552
"568543"	388.212476	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+2H"	2.014552
"1047185"	130.075676	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2H"	2.014552
"217278"	173.098476	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+3H"	3.021828
"653555"	259.144076	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+3H"	3.021828
"1168399"	87.052876	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+3H"	3.021828
"433858"	534.307423	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+NH4"	18.033823
"797042"	792.444223	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+NH4"	18.033823
"1692279"	276.170623	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+NH4"	18.033823
"336182"	267.6573495	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+H+NH4"	19.041099
"723866"	396.7257495	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+H+NH4"	19.041099
"1479509"	138.5889495	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H+NH4"	19.041099
"397096"	539.262818	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+Na"	22.989218
"756995"	797.399618	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+Na"	22.989218
"1606554"	281.126018	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Na"	22.989218
"320240"	270.135047	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+H+Na"	23.996494
"715944"	399.203447	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+H+Na"	23.996494
"1473047"	141.066647	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H+Na"	23.996494
"1061916"	94.38019	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2H+Na"	25.00377
"1263594"	291.170286	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+CH3OH+H"	33.033486
"386543"	555.236758	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+K"	38.963158
"750820"	813.373558	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+K"	38.963158
"1547405"	297.099958	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+K"	38.963158
"302392"	278.122017	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+H+K"	39.970434
"695905"	407.190417	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+H+K"	39.970434
"1459565"	149.053617	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H+K"	39.970434
"241607"	558.307426	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+ACN+H"	42.033826
"1220877"	300.170626	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+ACN+H"	42.033826
"1198201"	150.588951	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+ACN+2H"	43.041102
"193260"	561.24476	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+2Na-H"	44.97116
"629294"	819.38156	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+2Na-H"	44.97116
"1133402"	303.10796	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2Na-H"	44.97116
"175245"	281.126018	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+2Na"	45.978436
"613505"	410.194418	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+2Na"	45.978436
"1123782"	152.057618	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2Na"	45.978436
"1407310"	101.707504	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H+2Na"	46.985712
"1433230"	305.149546	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H+HCOOH"	47.012746
"225842"	286.15904	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+3H2O+2H"	56.04448
"1513903"	319.20159	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+IsoProp+H"	61.06479
"417963"	289.112988	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+Na+K"	61.952376
"771666"	418.181388	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+Na+K"	61.952376
"1672009"	160.044588	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Na+K"	61.952376
"257436"	580.289368	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+ACN+Na"	64.015768
"1235611"	322.152568	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+ACN+Na"	64.015768
"1719031"	322.176093	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+NH4+HCOOH"	64.039293
"1182199"	109.034818	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+3Na"	68.967654
"1655371"	327.131488	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Na+HCOOH"	68.994688
"165513"	593.19264	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+2K-H"	76.91904
"602885"	851.32944	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+2K-H"	76.91904
"1093960"	335.05584	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2K-H"	76.91904
"149682"	297.099958	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"2M+2K"	77.926316
"584868"	426.168358	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"3M+2K"	77.926316
"1072661"	168.031558	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2K"	77.926316
"1104775"	337.070392	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2K+H"	78.933592
"1337034"	337.158007	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+DMSO+H"	79.021207
"1008605"	341.197176	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2ACN+H"	83.060376
"1525760"	342.190808	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+IsoProp+Na+H"	84.054008
"990629"	171.102226	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+2ACN+2H"	84.067652
"1587926"	343.105428	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+K+HCOOH"	84.968628
"1418815"	373.136938	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+H+CF3COOH"	115.000138
"1151290"	191.615501	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+3ACN+2H"	125.094202
"1698286"	390.163485	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+NH4+CF3COOH"	132.026685
"1637587"	395.11888	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+Na+CF3COOH"	136.98208
"1577612"	411.09282	"C20521"	"Cyclo(Z)-alphabeta-didehydrophenylalanyl-L-leucyl;(3Z6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-25-dione"	"C15H18N2O2"	"258.1368"	"M+K+CF3COOH"	152.95602
"813446"	140.0586	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M"	0
"983699"	121.04021	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-H2O-H"	-19.01839
"71942"	92.365124	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M-3H"	-3.021828
"507128"	139.051324	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M-3H"	-3.021828
"884936"	45.678924	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-3H"	-3.021828
"13351"	139.051324	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M-2H"	-2.014552
"454370"	209.080624	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M-2H"	-2.014552
"828524"	69.022024	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-2H"	-2.014552
"91435"	279.109924	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M-H"	-1.007276
"524800"	419.168524	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M-H"	-1.007276
"902603"	139.051324	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-H"	-1.007276
"51511"	296.136471	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M-2H+NH4"	16.019271
"495445"	436.195071	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M-2H+NH4"	16.019271
"873251"	156.077871	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-2H+NH4"	16.019271
"31699"	301.091866	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M-2H+Na"	20.974666
"474151"	441.150466	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M-2H+Na"	20.974666
"849765"	161.033266	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-2H+Na"	20.974666
"1622579"	161.033266	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Na-2H"	20.974666
"102391"	157.039663	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M-H+Cl"	33.962126
"545231"	227.068963	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M-H+Cl"	33.962126
"937651"	87.010363	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-H+Cl"	33.962126
"278393"	315.086602	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+Cl"	34.969402
"670820"	455.145202	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+Cl"	34.969402
"1283225"	175.028002	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Cl"	34.969402
"29057"	317.065806	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M-2H+K"	36.948606
"466434"	457.124406	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M-2H+K"	36.948606
"840956"	177.007206	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-2H+K"	36.948606
"1566625"	177.007206	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+K-2H"	36.948606
"949047"	185.056794	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-H+HCOOH"	44.998194
"370541"	325.115401	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+HCOOH-H"	44.998201
"353331"	339.131051	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+Hac-H"	59.013851
"1499977"	199.072451	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Hac-H"	59.013851
"969709"	207.038751	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-H+NaCOOH"	66.980151
"121168"	175.028002	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+2Cl"	69.938804
"560363"	245.057302	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+2Cl"	69.938804
"1030254"	104.998702	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2Cl"	69.938804
"1246556"	218.977485	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Br"	78.918885
"1313380"	221.033472	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Cl+HCOOH"	80.974872
"1334731"	243.015429	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Cl+NaCOOH"	102.956829
"920843"	253.044186	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M-H+CF3COOH"	112.985586
"1294270"	289.020864	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Cl+CF3COOH"	148.962264
"1374618"	105.045924	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H-2H2O"	-35.012676
"1392120"	123.0559	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H-H2O"	-17.0027
"287796"	281.124476	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+H"	1.007276
"678027"	421.183076	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+H"	1.007276
"1355106"	141.065876	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H"	1.007276
"128360"	141.065876	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+2H"	2.014552
"566462"	211.095176	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+2H"	2.014552
"1041824"	71.036576	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2H"	2.014552
"216660"	94.379676	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+3H"	3.021828
"652572"	141.065876	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+3H"	3.021828
"1168509"	47.693476	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+3H"	3.021828
"432875"	298.151023	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+NH4"	18.033823
"793872"	438.209623	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+NH4"	18.033823
"1688380"	158.092423	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+NH4"	18.033823
"336292"	149.5791495	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+H+NH4"	19.041099
"724339"	219.6084495	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+H+NH4"	19.041099
"1479983"	79.5498495	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H+NH4"	19.041099
"395746"	303.106418	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+Na"	22.989218
"755647"	443.165018	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+Na"	22.989218
"1607028"	163.047818	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Na"	22.989218
"317069"	152.056847	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+H+Na"	23.996494
"716054"	222.086147	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+H+Na"	23.996494
"1470970"	82.027547	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H+Na"	23.996494
"1060933"	55.02079	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2H+Na"	25.00377
"1259692"	173.092086	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+CH3OH+H"	33.033486
"385560"	319.080358	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+K"	38.963158
"749836"	459.138958	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+K"	38.963158
"1547514"	179.021758	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+K"	38.963158
"300314"	160.043817	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+H+K"	39.970434
"696014"	230.073117	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+H+K"	39.970434
"1450927"	90.014517	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H+K"	39.970434
"238437"	322.151026	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+ACN+H"	42.033826
"1218800"	182.092426	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+ACN+H"	42.033826
"1195028"	91.549851	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+ACN+2H"	43.041102
"189721"	325.08836	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+2Na-H"	44.97116
"629526"	465.14696	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+2Na-H"	44.97116
"1131811"	185.02976	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2Na-H"	44.97116
"174383"	163.047818	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+2Na"	45.978436
"613091"	233.077118	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+2Na"	45.978436
"1124985"	93.018518	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2Na"	45.978436
"1405233"	62.348104	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H+2Na"	46.985712
"1441724"	187.071346	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H+HCOOH"	47.012746
"225952"	168.08084	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+3H2O+2H"	56.04448
"1510368"	201.12339	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+IsoProp+H"	61.06479
"416980"	171.034788	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+Na+K"	61.952376
"771048"	241.064088	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+Na+K"	61.952376
"1672119"	101.005488	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Na+K"	61.952376
"257546"	344.132968	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+ACN+Na"	64.015768
"1235721"	204.074368	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+ACN+Na"	64.015768
"1718412"	204.097893	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+NH4+HCOOH"	64.039293
"1181215"	69.675418	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+3Na"	68.967654
"1651833"	209.053288	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Na+HCOOH"	68.994688
"166716"	357.03624	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+2K-H"	76.91904
"607370"	497.09484	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+2K-H"	76.91904
"1092976"	216.97764	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2K-H"	76.91904
"150885"	179.021758	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"2M+2K"	77.926316
"583882"	249.051058	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"3M+2K"	77.926316
"1078238"	108.992458	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2K"	77.926316
"1103792"	218.992192	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2K+H"	78.933592
"1337625"	219.079807	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+DMSO+H"	79.021207
"1007256"	223.118976	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2ACN+H"	83.060376
"1527935"	224.112608	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+IsoProp+Na+H"	84.054008
"990738"	112.063126	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+2ACN+2H"	84.067652
"1587549"	225.027228	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+K+HCOOH"	84.968628
"1414909"	255.058738	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+H+CF3COOH"	115.000138
"1151400"	132.576401	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+3ACN+2H"	125.094202
"1697666"	272.085285	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+NH4+CF3COOH"	132.026685
"1637697"	277.04068	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+Na+CF3COOH"	136.98208
"1577722"	293.01462	"C20522"	"Dihydrourocanate;Deaminohistidine;3-(1H-Imidazol-4-yl)propanoate"	"C6H8N2O2"	"140.0586"	"M+K+CF3COOH"	152.95602
"812464"	389.3083	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M"	0
"987090"	370.28991	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-H2O-H"	-19.01839
"72052"	258.531590666667	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M-3H"	-3.021828
"507238"	388.301024	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M-3H"	-3.021828
"890513"	128.762157333333	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-3H"	-3.021828
"14554"	388.301024	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M-2H"	-2.014552
"454113"	582.955174	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M-2H"	-2.014552
"828634"	193.646874	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-2H"	-2.014552
"92640"	777.609324	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M-H"	-1.007276
"526003"	1166.917624	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M-H"	-1.007276
"901620"	388.301024	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-H"	-1.007276
"54905"	794.635871	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M-2H+NH4"	16.019271
"493370"	1183.944171	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M-2H+NH4"	16.019271
"873361"	405.327571	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-2H+NH4"	16.019271
"41263"	799.591266	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M-2H+Na"	20.974666
"473532"	1188.899566	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M-2H+Na"	20.974666
"855345"	410.282966	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-2H+Na"	20.974666
"1620867"	410.282966	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Na-2H"	20.974666
"107971"	406.289363	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M-H+Cl"	33.962126
"545344"	600.943513	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M-H+Cl"	33.962126
"932296"	211.635213	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-H+Cl"	33.962126
"281549"	813.586002	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+Cl"	34.969402
"669837"	1202.894302	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+Cl"	34.969402
"1284429"	424.277702	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Cl"	34.969402
"28077"	815.565206	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M-2H+K"	36.948606
"466543"	1204.873506	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M-2H+K"	36.948606
"844346"	426.256906	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-2H+K"	36.948606
"1560176"	426.256906	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+K-2H"	36.948606
"950251"	434.306494	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-H+HCOOH"	44.998194
"370652"	823.614801	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+HCOOH-H"	44.998201
"353441"	837.630451	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+Hac-H"	59.013851
"1500087"	448.322151	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Hac-H"	59.013851
"974034"	456.288451	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-H+NaCOOH"	66.980151
"121280"	424.277702	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+2Cl"	69.938804
"562298"	618.931852	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+2Cl"	69.938804
"1034741"	229.623552	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2Cl"	69.938804
"1242291"	468.227185	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Br"	78.918885
"1314952"	470.283172	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Cl+HCOOH"	80.974872
"1329898"	492.265129	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Cl+NaCOOH"	102.956829
"924967"	502.293886	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M-H+CF3COOH"	112.985586
"1296572"	538.270564	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Cl+CF3COOH"	148.962264
"1373641"	354.295624	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H-2H2O"	-35.012676
"1385670"	372.3056	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H-H2O"	-17.0027
"283532"	779.623876	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+H"	1.007276
"676679"	1168.932176	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+H"	1.007276
"1354123"	390.315576	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H"	1.007276
"125711"	390.315576	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+2H"	2.014552
"565691"	584.969726	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+2H"	2.014552
"1037143"	195.661426	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2H"	2.014552
"217498"	260.546142666667	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+3H"	3.021828
"656695"	390.315576	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+3H"	3.021828
"1172994"	130.776709333333	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+3H"	3.021828
"428976"	796.650423	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+NH4"	18.033823
"792889"	1185.958723	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+NH4"	18.033823
"1688129"	407.342123	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+NH4"	18.033823
"334947"	398.8288495	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+H+NH4"	19.041099
"726638"	593.4829995	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+H+NH4"	19.041099
"1488117"	204.1746995	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H+NH4"	19.041099
"397681"	801.605818	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+Na"	22.989218
"756121"	1190.914118	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+Na"	22.989218
"1604950"	412.297518	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Na"	22.989218
"324836"	401.306547	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+H+Na"	23.996494
"710696"	595.960697	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+H+Na"	23.996494
"1469987"	206.652397	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H+Na"	23.996494
"1061044"	138.104023333333	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2H+Na"	25.00377
"1263814"	422.341786	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+CH3OH+H"	33.033486
"385670"	817.579758	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+K"	38.963158
"744480"	1206.888058	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+K"	38.963158
"1543251"	428.271458	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+K"	38.963158
"299331"	409.293517	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+H+K"	39.970434
"691994"	603.947667	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+H+K"	39.970434
"1446422"	214.639367	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H+K"	39.970434
"236483"	820.650426	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+ACN+H"	42.033826
"1211377"	431.342126	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+ACN+H"	42.033826
"1194651"	216.174701	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+ACN+2H"	43.041102
"189831"	823.58776	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+2Na-H"	44.97116
"628908"	1212.89606	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+2Na-H"	44.97116
"1131635"	434.27946	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2Na-H"	44.97116
"175586"	412.297518	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+2Na"	45.978436
"614051"	606.951668	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+2Na"	45.978436
"1125459"	217.643368	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2Na"	45.978436
"1409716"	145.431337333333	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H+2Na"	46.985712
"1439645"	436.321046	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H+HCOOH"	47.012746
"224968"	417.33054	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+3H2O+2H"	56.04448
"1514124"	450.37309	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+IsoProp+H"	61.06479
"410894"	420.284488	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+Na+K"	61.952376
"772255"	614.938638	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+Na+K"	61.952376
"1670041"	225.630338	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Na+K"	61.952376
"255104"	842.632368	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+ACN+Na"	64.015768
"1230363"	453.324068	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+ACN+Na"	64.015768
"1719251"	453.347593	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+NH4+HCOOH"	64.039293
"1180960"	152.758651333333	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+3Na"	68.967654
"1652311"	458.302988	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Na+HCOOH"	68.994688
"159169"	855.53564	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+2K-H"	76.91904
"598365"	1244.84394	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+2K-H"	76.91904
"1086158"	466.22734	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2K-H"	76.91904
"145528"	428.271458	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"2M+2K"	77.926316
"583994"	622.925608	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"3M+2K"	77.926316
"1070696"	233.617308	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2K"	77.926316
"1102810"	468.241892	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2K+H"	78.933592
"1341390"	468.329507	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+DMSO+H"	79.021207
"1007368"	472.368676	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2ACN+H"	83.060376
"1525980"	473.362308	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+IsoProp+Na+H"	84.054008
"991336"	236.687976	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+2ACN+2H"	84.067652
"1587660"	474.276928	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+K+HCOOH"	84.968628
"1416115"	504.308438	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+H+CF3COOH"	115.000138
"1149684"	257.201251	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+3ACN+2H"	125.094202
"1698506"	521.334985	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+NH4+CF3COOH"	132.026685
"1643275"	526.29038	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+Na+CF3COOH"	136.98208
"1577832"	542.26432	"C20525"	"3-Geranylgeranylindole;3-(Geranylgeranyl)indole"	"C28H39N"	"389.3083"	"M+K+CF3COOH"	152.95602
"809294"	405.3032	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M"	0
"986107"	386.28481	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-H2O-H"	-19.01839
"72162"	269.194857333333	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M-3H"	-3.021828
"517192"	404.295924	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M-3H"	-3.021828
"892812"	134.093790666667	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-3H"	-3.021828
"11387"	404.295924	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M-2H"	-2.014552
"450948"	606.947524	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M-2H"	-2.014552
"830572"	201.644324	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-2H"	-2.014552
"91655"	809.599124	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M-H"	-1.007276
"521741"	1214.902324	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M-H"	-1.007276
"908657"	404.295924	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-H"	-1.007276
"51735"	826.625671	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M-2H+NH4"	16.019271
"496763"	1231.928871	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M-2H+NH4"	16.019271
"871285"	421.322471	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-2H+NH4"	16.019271
"42466"	831.581066	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M-2H+Na"	20.974666
"473642"	1236.884266	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M-2H+Na"	20.974666
"852174"	426.277866	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-2H+Na"	20.974666
"1619154"	426.277866	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Na-2H"	20.974666
"103708"	422.284263	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M-H+Cl"	33.962126
"543267"	624.935863	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M-H+Cl"	33.962126
"932041"	219.632663	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-H+Cl"	33.962126
"281172"	845.575802	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+Cl"	34.969402
"671040"	1250.879002	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+Cl"	34.969402
"1286364"	440.272602	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Cl"	34.969402
"28920"	847.555006	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M-2H+K"	36.948606
"468481"	1252.858206	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M-2H+K"	36.948606
"842270"	442.251806	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-2H+K"	36.948606
"1567947"	442.251806	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+K-2H"	36.948606
"952548"	450.301394	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-H+HCOOH"	44.998194
"374047"	855.604601	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+HCOOH-H"	44.998201
"356107"	869.620251	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+Hac-H"	59.013851
"1503479"	464.317051	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Hac-H"	59.013851
"973456"	472.283351	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-H+NaCOOH"	66.980151
"121026"	440.272602	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+2Cl"	69.938804
"556211"	642.924202	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+2Cl"	69.938804
"1028291"	237.621002	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2Cl"	69.938804
"1253340"	484.222085	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Br"	78.918885
"1317248"	486.278072	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Cl+HCOOH"	80.974872
"1334747"	508.260029	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Cl+NaCOOH"	102.956829
"922160"	518.288786	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M-H+CF3COOH"	112.985586
"1302150"	554.265464	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Cl+CF3COOH"	148.962264
"1375938"	370.290524	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H-2H2O"	-35.012676
"1389060"	388.3005	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H-H2O"	-17.0027
"284735"	811.613676	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+H"	1.007276
"681168"	1216.916876	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+H"	1.007276
"1354233"	406.310476	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H"	1.007276
"134782"	406.310476	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+2H"	2.014552
"571061"	608.962076	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+2H"	2.014552
"1044235"	203.658876	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2H"	2.014552
"217608"	271.209409333333	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+3H"	3.021828
"654989"	406.310476	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+3H"	3.021828
"1176025"	136.108342666667	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+3H"	3.021828
"433098"	828.640223	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+NH4"	18.033823
"792999"	1233.943423	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+NH4"	18.033823
"1692618"	423.337023	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+NH4"	18.033823
"342353"	414.8237495	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+H+NH4"	19.041099
"731126"	617.4753495	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+H+NH4"	19.041099
"1490051"	212.1721495	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H+NH4"	19.041099
"403625"	833.595618	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+Na"	22.989218
"755504"	1238.898818	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+Na"	22.989218
"1603965"	428.292418	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Na"	22.989218
"324948"	417.301447	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+H+Na"	23.996494
"711906"	619.953047	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+H+Na"	23.996494
"1465725"	214.649847	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H+Na"	23.996494
"1056782"	143.435656666667	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2H+Na"	25.00377
"1263930"	438.336686	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+CH3OH+H"	33.033486
"383596"	849.569558	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+K"	38.963158
"744594"	1254.872758	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+K"	38.963158
"1543728"	444.266358	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+K"	38.963158
"307101"	425.288417	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+H+K"	39.970434
"692109"	627.940017	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+H+K"	39.970434
"1447872"	222.636817	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H+K"	39.970434
"235740"	852.640226	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+ACN+H"	42.033826
"1209902"	447.337026	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+ACN+H"	42.033826
"1194220"	224.172151	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+ACN+2H"	43.041102
"188595"	855.57756	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+2Na-H"	44.97116
"629978"	1260.88076	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+2Na-H"	44.97116
"1131359"	450.27436	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2Na-H"	44.97116
"176305"	428.292418	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+2Na"	45.978436
"623888"	630.944018	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+2Na"	45.978436
"1125209"	225.640818	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2Na"	45.978436
"1413722"	150.762970666667	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H+2Na"	46.985712
"1444740"	452.315946	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H+HCOOH"	47.012746
"228360"	433.32544	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+3H2O+2H"	56.04448
"1514234"	466.36799	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+IsoProp+H"	61.06479
"410639"	436.279388	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+Na+K"	61.952376
"775284"	638.930988	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+Na+K"	61.952376
"1670154"	233.627788	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Na+K"	61.952376
"255582"	874.622168	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+ACN+Na"	64.015768
"1231572"	469.318968	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+ACN+Na"	64.015768
"1716083"	469.342493	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+NH4+HCOOH"	64.039293
"1184716"	158.090284666667	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+3Na"	68.967654
"1650723"	474.297888	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Na+HCOOH"	68.994688
"159285"	887.52544	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+2K-H"	76.91904
"598479"	1292.82864	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+2K-H"	76.91904
"1085910"	482.22224	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2K-H"	76.91904
"141755"	444.266358	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"2M+2K"	77.926316
"585199"	646.917958	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"3M+2K"	77.926316
"1075186"	241.614758	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2K"	77.926316
"1107302"	484.236792	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2K+H"	78.933592
"1343688"	484.324407	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+DMSO+H"	79.021207
"1005897"	488.363576	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2ACN+H"	83.060376
"1525360"	489.357208	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+IsoProp+Na+H"	84.054008
"991325"	244.685426	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+2ACN+2H"	84.067652
"1593486"	490.271828	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+K+HCOOH"	84.968628
"1419144"	520.303338	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+H+CF3COOH"	115.000138
"1149432"	265.198701	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+3ACN+2H"	125.094202
"1701171"	537.329885	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+NH4+CF3COOH"	132.026685
"1646665"	542.28528	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+Na+CF3COOH"	136.98208
"1577942"	558.25922	"C20526"	"1011-Epoxy-3-geranylgeranylindole"	"C28H39NO"	"405.3032"	"M+K+CF3COOH"	152.95602
"808307"	405.3032	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M"	0
"977465"	386.28481	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-H2O-H"	-19.01839
"72272"	269.194857333333	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M-3H"	-3.021828
"506365"	404.295924	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M-3H"	-3.021828
"889640"	134.093790666667	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-3H"	-3.021828
"13680"	404.295924	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M-2H"	-2.014552
"452876"	606.947524	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M-2H"	-2.014552
"828860"	201.644324	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-2H"	-2.014552
"89579"	809.599124	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M-H"	-1.007276
"525130"	1214.902324	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M-H"	-1.007276
"905120"	404.295924	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-H"	-1.007276
"51845"	826.625671	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M-2H+NH4"	16.019271
"496873"	1231.928871	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M-2H+NH4"	16.019271
"867020"	421.322471	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-2H+NH4"	16.019271
"41483"	831.581066	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M-2H+Na"	20.974666
"473388"	1236.884266	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M-2H+Na"	20.974666
"852284"	426.277866	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-2H+Na"	20.974666
"1619629"	426.277866	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Na-2H"	20.974666
"106004"	422.284263	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M-H+Cl"	33.962126
"543377"	624.935863	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M-H+Cl"	33.962126
"933609"	219.632663	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-H+Cl"	33.962126
"277636"	845.575802	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+Cl"	34.969402
"668963"	1250.879002	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+Cl"	34.969402
"1281371"	440.272602	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Cl"	34.969402
"25020"	847.555006	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M-2H+K"	36.948606
"465674"	1252.858206	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M-2H+K"	36.948606
"841286"	442.251806	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-2H+K"	36.948606
"1565870"	442.251806	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+K-2H"	36.948606
"950470"	450.301394	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-H+HCOOH"	44.998194
"370875"	855.604601	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+HCOOH-H"	44.998201
"352570"	869.620251	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+Hac-H"	59.013851
"1501402"	464.317051	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Hac-H"	59.013851
"969313"	472.283351	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-H+NaCOOH"	66.980151
"118585"	440.272602	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+2Cl"	69.938804
"555227"	642.924202	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+2Cl"	69.938804
"1027307"	237.621002	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2Cl"	69.938804
"1250170"	484.222085	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Br"	78.918885
"1314806"	486.278072	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Cl+HCOOH"	80.974872
"1334492"	508.260029	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Cl+NaCOOH"	102.956829
"922270"	518.288786	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M-H+CF3COOH"	112.985586
"1301167"	554.265464	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Cl+CF3COOH"	148.962264
"1376048"	370.290524	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H-2H2O"	-35.012676
"1389170"	388.3005	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H-H2O"	-17.0027
"283752"	811.613676	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+H"	1.007276
"676903"	1216.916876	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+H"	1.007276
"1355436"	406.310476	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H"	1.007276
"126178"	406.310476	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+2H"	2.014552
"569349"	608.962076	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+2H"	2.014552
"1044345"	203.658876	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2H"	2.014552
"218326"	271.209409333333	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+3H"	3.021828
"654733"	406.310476	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+3H"	3.021828
"1176136"	136.108342666667	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+3H"	3.021828
"434301"	828.640223	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+NH4"	18.033823
"796389"	1233.943423	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+NH4"	18.033823
"1691634"	423.337023	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+NH4"	18.033823
"342097"	414.8237495	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+H+NH4"	19.041099
"730143"	617.4753495	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+H+NH4"	19.041099
"1490162"	212.1721495	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H+NH4"	19.041099
"400456"	833.595618	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+Na"	22.989218
"755250"	1238.898818	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+Na"	22.989218
"1604438"	428.292418	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Na"	22.989218
"322874"	417.301447	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+H+Na"	23.996494
"713111"	619.953047	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+H+Na"	23.996494
"1462676"	214.649847	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H+Na"	23.996494
"1057986"	143.435656666667	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2H+Na"	25.00377
"1265133"	438.336686	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+CH3OH+H"	33.033486
"382613"	849.569558	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+K"	38.963158
"747984"	1254.872758	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+K"	38.963158
"1542381"	444.266358	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+K"	38.963158
"305025"	425.288417	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+H+K"	39.970434
"692340"	627.940017	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+H+K"	39.970434
"1445796"	222.636817	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H+K"	39.970434
"235780"	852.640226	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+ACN+H"	42.033826
"1210137"	447.337026	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+ACN+H"	42.033826
"1194274"	224.172151	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+ACN+2H"	43.041102
"188681"	855.57756	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+2Na-H"	44.97116
"630575"	1260.88076	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+2Na-H"	44.97116
"1131568"	450.27436	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2Na-H"	44.97116
"176415"	428.292418	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+2Na"	45.978436
"623998"	630.944018	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+2Na"	45.978436
"1127871"	225.640818	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2Na"	45.978436
"1411519"	150.762970666667	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H+2Na"	46.985712
"1442783"	452.315946	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H+HCOOH"	47.012746
"231749"	433.32544	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+3H2O+2H"	56.04448
"1512521"	466.36799	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+IsoProp+H"	61.06479
"412208"	436.279388	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+Na+K"	61.952376
"772111"	638.930988	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+Na+K"	61.952376
"1671357"	233.627788	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Na+K"	61.952376
"255691"	874.622168	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+ACN+Na"	64.015768
"1228399"	469.318968	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+ACN+Na"	64.015768
"1722752"	469.342493	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+NH4+HCOOH"	64.039293
"1182639"	158.090284666667	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+3Na"	68.967654
"1651195"	474.297888	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Na+HCOOH"	68.994688
"158302"	887.52544	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+2K-H"	76.91904
"598588"	1292.82864	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+2K-H"	76.91904
"1086020"	482.22224	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2K-H"	76.91904
"144295"	444.266358	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"2M+2K"	77.926316
"585309"	646.917958	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"3M+2K"	77.926316
"1073109"	241.614758	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2K"	77.926316
"1107412"	484.236792	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2K+H"	78.933592
"1341612"	484.324407	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+DMSO+H"	79.021207
"1005693"	488.363576	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2ACN+H"	83.060376
"1524368"	489.357208	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+IsoProp+Na+H"	84.054008
"990463"	244.685426	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+2ACN+2H"	84.067652
"1593596"	490.271828	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+K+HCOOH"	84.968628
"1415974"	520.303338	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+H+CF3COOH"	115.000138
"1149176"	265.198701	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+3ACN+2H"	125.094202
"1698729"	537.329885	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+NH4+CF3COOH"	132.026685
"1646775"	542.28528	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+Na+CF3COOH"	136.98208
"1578052"	558.25922	"C20527"	"Emindole SB"	"C28H39NO"	"405.3032"	"M+K+CF3COOH"	152.95602
"808417"	421.2617	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M"	0
"979761"	402.24331	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-H2O-H"	-19.01839
"73475"	279.833857333333	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M-3H"	-3.021828
"508661"	420.254424	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M-3H"	-3.021828
"895467"	139.413290666667	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-3H"	-3.021828
"12697"	420.254424	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M-2H"	-2.014552
"453350"	630.885274	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M-2H"	-2.014552
"830062"	209.623574	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-2H"	-2.014552
"91146"	841.516124	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M-H"	-1.007276
"526335"	1262.777824	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M-H"	-1.007276
"907417"	420.254424	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-H"	-1.007276
"57419"	858.542671	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M-2H+NH4"	16.019271
"498076"	1279.804371	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M-2H+NH4"	16.019271
"870412"	437.280971	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-2H+NH4"	16.019271
"44876"	863.498066	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M-2H+Na"	20.974666
"481154"	1284.759766	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M-2H+Na"	20.974666
"854583"	442.236366	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-2H+Na"	20.974666
"1625209"	442.236366	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Na-2H"	20.974666
"108189"	438.242763	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M-H+Cl"	33.962126
"544583"	648.873613	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M-H+Cl"	33.962126
"934816"	227.611913	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-H+Cl"	33.962126
"278839"	877.492802	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+Cl"	34.969402
"671260"	1298.754502	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+Cl"	34.969402
"1284759"	456.231102	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Cl"	34.969402
"29505"	879.472006	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M-2H+K"	36.948606
"469796"	1300.733706	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M-2H+K"	36.948606
"846502"	458.210306	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-2H+K"	36.948606
"1563793"	458.210306	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+K-2H"	36.948606
"954590"	466.259894	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-H+HCOOH"	44.998194
"369892"	887.521601	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+HCOOH-H"	44.998201
"355960"	901.537251	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+Hac-H"	59.013851
"1502605"	480.275551	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Hac-H"	59.013851
"967601"	488.241851	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-H+NaCOOH"	66.980151
"114685"	456.231102	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+2Cl"	69.938804
"552784"	666.861952	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+2Cl"	69.938804
"1026684"	245.600252	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2Cl"	69.938804
"1251373"	500.180585	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Br"	78.918885
"1318201"	502.236572	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Cl+HCOOH"	80.974872
"1333509"	524.218529	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Cl+NaCOOH"	102.956829
"921287"	534.247286	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M-H+CF3COOH"	112.985586
"1300182"	570.223964	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Cl+CF3COOH"	148.962264
"1368501"	386.249024	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H-2H2O"	-35.012676
"1392560"	404.259	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H-H2O"	-17.0027
"286780"	843.530676	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+H"	1.007276
"680295"	1264.792376	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+H"	1.007276
"1353360"	422.268976	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H"	1.007276
"128437"	422.268976	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+2H"	2.014552
"570916"	632.899826	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+2H"	2.014552
"1041537"	211.638126	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2H"	2.014552
"218436"	281.848409333333	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+3H"	3.021828
"658361"	422.268976	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+3H"	3.021828
"1173324"	141.427842666667	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+3H"	3.021828
"433682"	860.557223	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+NH4"	18.033823
"794313"	1281.818923	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+NH4"	18.033823
"1693929"	439.295523	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+NH4"	18.033823
"343299"	430.7822495	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+H+NH4"	19.041099
"731346"	641.4130995	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+H+NH4"	19.041099
"1492094"	220.1513995	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H+NH4"	19.041099
"401659"	865.512618	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+Na"	22.989218
"755239"	1286.774318	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+Na"	22.989218
"1608564"	444.250918	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Na"	22.989218
"326263"	433.259947	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+H+Na"	23.996494
"713220"	643.890797	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+H+Na"	23.996494
"1470321"	222.629097	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H+Na"	23.996494
"1061377"	148.755156666667	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2H+Na"	25.00377
"1268523"	454.295186	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+CH3OH+H"	33.033486
"381630"	881.486558	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+K"	38.963158
"749187"	1302.748258	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+K"	38.963158
"1547960"	460.224858	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+K"	38.963158
"306228"	441.246917	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+H+K"	39.970434
"693177"	651.877767	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+H+K"	39.970434
"1445906"	230.616067	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H+K"	39.970434
"236085"	884.557226	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+ACN+H"	42.033826
"1209963"	463.295526	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+ACN+H"	42.033826
"1194611"	232.151401	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+ACN+2H"	43.041102
"188978"	887.49456	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+2Na-H"	44.97116
"629229"	1308.75626	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+2Na-H"	44.97116
"1131522"	466.23286	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2Na-H"	44.97116
"175431"	444.250918	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+2Na"	45.978436
"622652"	654.881768	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+2Na"	45.978436
"1128953"	233.620068	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2Na"	45.978436
"1411870"	156.082470666667	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H+2Na"	46.985712
"1442893"	468.274446	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H+HCOOH"	47.012746
"233682"	449.28394	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+3H2O+2H"	56.04448
"1513360"	482.32649	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+IsoProp+H"	61.06479
"410860"	452.237888	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+Na+K"	61.952376
"776233"	662.868738	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+Na+K"	61.952376
"1670374"	241.607038	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Na+K"	61.952376
"257988"	906.539168	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+ACN+Na"	64.015768
"1229602"	485.277468	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+ACN+Na"	64.015768
"1722862"	485.300993	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+NH4+HCOOH"	64.039293
"1186030"	163.409784666667	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+3Na"	68.967654
"1651915"	490.256388	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Na+HCOOH"	68.994688
"157804"	919.44244	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+2K-H"	76.91904
"597403"	1340.70414	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+2K-H"	76.91904
"1086130"	498.18074	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2K-H"	76.91904
"143677"	460.224858	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"2M+2K"	77.926316
"582018"	670.855708	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"3M+2K"	77.926316
"1071033"	249.594008	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2K"	77.926316
"1106429"	500.195292	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2K+H"	78.933592
"1341723"	500.282907	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+DMSO+H"	79.021207
"1005669"	504.322076	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2ACN+H"	83.060376
"1525461"	505.315708	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+IsoProp+Na+H"	84.054008
"992640"	252.664676	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+2ACN+2H"	84.067652
"1593706"	506.230328	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+K+HCOOH"	84.968628
"1415355"	536.261838	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+H+CF3COOH"	115.000138
"1149654"	273.177951	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+3ACN+2H"	125.094202
"1701392"	553.288385	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+NH4+CF3COOH"	132.026685
"1646885"	558.24378	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+Na+CF3COOH"	136.98208
"1578162"	574.21772	"C20528"	"Terpendole B"	"C27H35NO3"	"421.2617"	"M+K+CF3COOH"	152.95602
"808527"	421.2981	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M"	0
"977685"	402.27971	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-H2O-H"	-19.01839
"67019"	279.858124	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M-3H"	-3.021828
"506578"	420.290824	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M-3H"	-3.021828
"892775"	139.425424	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-3H"	-3.021828
"12078"	420.290824	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M-2H"	-2.014552
"447990"	630.939874	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M-2H"	-2.014552
"825793"	209.641774	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-2H"	-2.014552
"81411"	841.588924	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M-H"	-1.007276
"532888"	1262.887024	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M-H"	-1.007276
"907164"	420.290824	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-H"	-1.007276
"57529"	858.615471	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M-2H+NH4"	16.019271
"497091"	1279.913571	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M-2H+NH4"	16.019271
"870522"	437.317371	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-2H+NH4"	16.019271
"42799"	863.570866	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M-2H+Na"	20.974666
"477984"	1284.868966	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M-2H+Na"	20.974666
"854693"	442.272766	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-2H+Na"	20.974666
"1626412"	442.272766	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Na-2H"	20.974666
"108782"	438.279163	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M-H+Cl"	33.962126
"544693"	648.928213	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M-H+Cl"	33.962126
"933833"	227.630113	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-H+Cl"	33.962126
"275669"	877.565602	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+Cl"	34.969402
"668091"	1298.863702	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+Cl"	34.969402
"1284869"	456.267502	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Cl"	34.969402
"28521"	879.544806	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M-2H+K"	36.948606
"469541"	1300.842906	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M-2H+K"	36.948606
"840415"	458.246706	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-2H+K"	36.948606
"1557343"	458.246706	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+K-2H"	36.948606
"949597"	466.296294	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-H+HCOOH"	44.998194
"370002"	887.594401	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+HCOOH-H"	44.998201
"353882"	901.610051	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+Hac-H"	59.013851
"1500528"	480.311951	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Hac-H"	59.013851
"963700"	488.278251	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-H+NaCOOH"	66.980151
"114793"	456.267502	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+2Cl"	69.938804
"551434"	666.916552	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+2Cl"	69.938804
"1025698"	245.618452	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2Cl"	69.938804
"1242735"	500.216985	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Br"	78.918885
"1317218"	502.272972	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Cl+HCOOH"	80.974872
"1333619"	524.254929	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Cl+NaCOOH"	102.956829
"921397"	534.283686	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M-H+CF3COOH"	112.985586
"1300292"	570.260364	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Cl+CF3COOH"	148.962264
"1368975"	386.285424	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H-2H2O"	-35.012676
"1386108"	404.2954	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H-H2O"	-17.0027
"286890"	843.603476	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+H"	1.007276
"680405"	1264.901576	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+H"	1.007276
"1353469"	422.305376	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H"	1.007276
"127454"	422.305376	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+2H"	2.014552
"569205"	632.954426	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+2H"	2.014552
"1041283"	211.656326	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2H"	2.014552
"218910"	281.872676	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+3H"	3.021828
"657499"	422.305376	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+3H"	3.021828
"1173434"	141.439976	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+3H"	3.021828
"432699"	860.630023	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+NH4"	18.033823
"793694"	1281.928123	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+NH4"	18.033823
"1694038"	439.331923	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+NH4"	18.033823
"343410"	430.8186495	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+H+NH4"	19.041099
"730363"	641.4676995	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+H+NH4"	19.041099
"1491840"	220.1695995	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H+NH4"	19.041099
"402862"	865.585418	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+Na"	22.989218
"755228"	1286.883518	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+Na"	22.989218
"1605394"	444.287318	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Na"	22.989218
"327466"	433.296347	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+H+Na"	23.996494
"711143"	643.945397	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+H+Na"	23.996494
"1471524"	222.647297	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H+Na"	23.996494
"1061487"	148.76729	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2H+Na"	25.00377
"1266446"	454.331586	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+CH3OH+H"	33.033486
"383926"	881.559358	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+K"	38.963158
"744923"	1302.857458	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+K"	38.963158
"1546976"	460.261258	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+K"	38.963158
"306338"	441.283317	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+H+K"	39.970434
"692924"	651.932367	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+H+K"	39.970434
"1446497"	230.634267	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H+K"	39.970434
"236674"	884.630026	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+ACN+H"	42.033826
"1211572"	463.331926	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+ACN+H"	42.033826
"1195330"	232.169601	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+ACN+2H"	43.041102
"189175"	887.56736	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+2Na-H"	44.97116
"630189"	1308.86546	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+2Na-H"	44.97116
"1132607"	466.26926	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2Na-H"	44.97116
"175662"	444.287318	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+2Na"	45.978436
"624584"	654.936368	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+2Na"	45.978436
"1129549"	233.638268	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2Na"	45.978436
"1411980"	156.094604	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H+2Na"	46.985712
"1437900"	468.310846	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H+HCOOH"	47.012746
"228690"	449.32034	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+3H2O+2H"	56.04448
"1513470"	482.36289	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+IsoProp+H"	61.06479
"412063"	452.274288	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+Na+K"	61.952376
"777436"	662.923338	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+Na+K"	61.952376
"1671577"	241.625238	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Na+K"	61.952376
"258098"	906.611968	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+ACN+Na"	64.015768
"1229712"	485.313868	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+ACN+Na"	64.015768
"1724065"	485.337393	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+NH4+HCOOH"	64.039293
"1188327"	163.421918	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+3Na"	68.967654
"1651660"	490.292788	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Na+HCOOH"	68.994688
"159615"	919.51524	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+2K-H"	76.91904
"598929"	1340.81334	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+2K-H"	76.91904
"1084657"	498.21714	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2K-H"	76.91904
"141958"	460.261258	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"2M+2K"	77.926316
"582734"	670.910308	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"3M+2K"	77.926316
"1073329"	249.612208	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2K"	77.926316
"1104352"	500.231692	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2K+H"	78.933592
"1344020"	500.319307	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+DMSO+H"	79.021207
"1006348"	504.358476	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2ACN+H"	83.060376
"1524842"	505.352108	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+IsoProp+Na+H"	84.054008
"992750"	252.682876	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+2ACN+2H"	84.067652
"1593816"	506.266728	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+K+HCOOH"	84.968628
"1415465"	536.298238	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+H+CF3COOH"	115.000138
"1155232"	273.196151	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+3ACN+2H"	125.094202
"1700409"	553.324785	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+NH4+CF3COOH"	132.026685
"1644809"	558.28018	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+Na+CF3COOH"	136.98208
"1578272"	574.25412	"C20529"	"1415-Epoxyemindole SB"	"C28H39NO2"	"421.2981"	"M+K+CF3COOH"	152.95602
"808637"	421.2981	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M"	0
"976702"	402.27971	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-H2O-H"	-19.01839
"69317"	279.858124	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M-3H"	-3.021828
"509968"	420.290824	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M-3H"	-3.021828
"889965"	139.425424	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-3H"	-3.021828
"11095"	420.290824	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M-2H"	-2.014552
"450287"	630.939874	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M-2H"	-2.014552
"825903"	209.641774	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-2H"	-2.014552
"81521"	841.588924	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M-H"	-1.007276
"532878"	1262.887024	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M-H"	-1.007276
"910072"	420.290824	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-H"	-1.007276
"58369"	858.615471	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M-2H+NH4"	16.019271
"497201"	1279.913571	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M-2H+NH4"	16.019271
"869539"	437.317371	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-2H+NH4"	16.019271
"42909"	863.570866	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M-2H+Na"	20.974666
"474813"	1284.868966	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M-2H+Na"	20.974666
"855896"	442.272766	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-2H+Na"	20.974666
"1626522"	442.272766	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Na-2H"	20.974666
"109742"	438.279163	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M-H+Cl"	33.962126
"544803"	648.928213	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M-H+Cl"	33.962126
"933943"	227.630113	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-H+Cl"	33.962126
"275779"	877.565602	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+Cl"	34.969402
"670388"	1298.863702	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+Cl"	34.969402
"1284979"	456.267502	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Cl"	34.969402
"28631"	879.544806	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M-2H+K"	36.948606
"469285"	1300.842906	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M-2H+K"	36.948606
"842712"	458.246706	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-2H+K"	36.948606
"1560733"	458.246706	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+K-2H"	36.948606
"951895"	466.296294	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-H+HCOOH"	44.998194
"372299"	887.594401	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+HCOOH-H"	44.998201
"355088"	901.610051	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+Hac-H"	59.013851
"1503559"	480.311951	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Hac-H"	59.013851
"964903"	488.278251	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-H+NaCOOH"	66.980151
"117090"	456.267502	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+2Cl"	69.938804
"551544"	666.916552	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+2Cl"	69.938804
"1024354"	245.618452	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2Cl"	69.938804
"1242721"	500.216985	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Br"	78.918885
"1319474"	502.272972	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Cl+HCOOH"	80.974872
"1333729"	524.254929	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Cl+NaCOOH"	102.956829
"921507"	534.283686	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M-H+CF3COOH"	112.985586
"1299310"	570.260364	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Cl+CF3COOH"	148.962264
"1370908"	386.285424	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H-2H2O"	-35.012676
"1386218"	404.2954	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H-H2O"	-17.0027
"287000"	843.603476	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+H"	1.007276
"678327"	1264.901576	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+H"	1.007276
"1353579"	422.305376	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H"	1.007276
"127928"	422.305376	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+2H"	2.014552
"566877"	632.954426	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+2H"	2.014552
"1039203"	211.656326	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2H"	2.014552
"218049"	281.872676	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+3H"	3.021828
"657976"	422.305376	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+3H"	3.021828
"1174638"	141.439976	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+3H"	3.021828
"436455"	860.630023	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+NH4"	18.033823
"795627"	1281.928123	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+NH4"	18.033823
"1690868"	439.331923	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+NH4"	18.033823
"340239"	430.8186495	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+H+NH4"	19.041099
"731566"	641.4676995	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+H+NH4"	19.041099
"1483201"	220.1695995	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H+NH4"	19.041099
"400785"	865.585418	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+Na"	22.989218
"756312"	1286.883518	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+Na"	22.989218
"1608784"	444.287318	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Na"	22.989218
"325388"	433.296347	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+H+Na"	23.996494
"711253"	643.945397	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+H+Na"	23.996494
"1471635"	222.647297	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H+Na"	23.996494
"1062690"	148.76729	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2H+Na"	25.00377
"1265462"	454.331586	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+CH3OH+H"	33.033486
"382942"	881.559358	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+K"	38.963158
"747220"	1302.857458	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+K"	38.963158
"1545993"	460.261258	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+K"	38.963158
"306447"	441.283317	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+H+K"	39.970434
"692670"	651.932367	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+H+K"	39.970434
"1445875"	230.634267	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H+K"	39.970434
"237389"	884.630026	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+ACN+H"	42.033826
"1210586"	463.331926	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+ACN+H"	42.033826
"1194628"	232.169601	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+ACN+2H"	43.041102
"188733"	887.56736	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+2Na-H"	44.97116
"628882"	1308.86546	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+2Na-H"	44.97116
"1132355"	466.26926	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2Na-H"	44.97116
"176014"	444.287318	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+2Na"	45.978436
"624694"	654.936368	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+2Na"	45.978436
"1128202"	233.638268	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2Na"	45.978436
"1413837"	156.094604	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H+2Na"	46.985712
"1444206"	468.310846	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H+HCOOH"	47.012746
"228800"	449.32034	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+3H2O+2H"	56.04448
"1515767"	482.36289	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+IsoProp+H"	61.06479
"416547"	452.274288	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+Na+K"	61.952376
"776817"	662.923338	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+Na+K"	61.952376
"1669500"	241.625238	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Na+K"	61.952376
"259301"	906.611968	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+ACN+Na"	64.015768
"1232010"	485.313868	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+ACN+Na"	64.015768
"1724177"	485.337393	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+NH4+HCOOH"	64.039293
"1185156"	163.421918	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+3Na"	68.967654
"1651407"	490.292788	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Na+HCOOH"	68.994688
"158020"	919.51524	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+2K-H"	76.91904
"599526"	1340.81334	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+2K-H"	76.91904
"1086716"	498.21714	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2K-H"	76.91904
"143162"	460.261258	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"2M+2K"	77.926316
"583210"	670.910308	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"3M+2K"	77.926316
"1073439"	249.612208	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2K"	77.926316
"1104462"	500.231692	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2K+H"	78.933592
"1345224"	500.319307	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+DMSO+H"	79.021207
"1008284"	504.358476	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2ACN+H"	83.060376
"1525680"	505.352108	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+IsoProp+Na+H"	84.054008
"995046"	252.682876	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+2ACN+2H"	84.067652
"1593926"	506.266728	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+K+HCOOH"	84.968628
"1415211"	536.298238	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+H+CF3COOH"	115.000138
"1152062"	273.196151	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+3ACN+2H"	125.094202
"1701613"	553.324785	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+NH4+CF3COOH"	132.026685
"1640545"	558.28018	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+Na+CF3COOH"	136.98208
"1578382"	574.25412	"C20530"	"Paspaline"	"C28H39NO2"	"421.2981"	"M+K+CF3COOH"	152.95602
"812027"	419.246	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M"	0
"982279"	400.22761	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-H2O-H"	-19.01839
"69427"	278.490057333333	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M-3H"	-3.021828
"510080"	418.238724	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M-3H"	-3.021828
"891168"	138.741390666667	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-3H"	-3.021828
"12298"	418.238724	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M-2H"	-2.014552
"448210"	627.861724	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M-2H"	-2.014552
"826013"	208.615724	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-2H"	-2.014552
"81631"	837.484724	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M-H"	-1.007276
"533471"	1256.730724	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M-H"	-1.007276
"911283"	418.238724	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-H"	-1.007276
"62453"	854.511271	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M-2H+NH4"	16.019271
"498040"	1273.757271	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M-2H+NH4"	16.019271
"870742"	435.265271	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-2H+NH4"	16.019271
"43019"	859.466666	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M-2H+Na"	20.974666
"477110"	1278.712666	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M-2H+Na"	20.974666
"856006"	440.220666	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-2H+Na"	20.974666
"1626632"	440.220666	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Na-2H"	20.974666
"109364"	436.227063	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M-H+Cl"	33.962126
"541632"	645.850063	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M-H+Cl"	33.962126
"937332"	226.604063	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-H+Cl"	33.962126
"273701"	873.461402	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+Cl"	34.969402
"670496"	1292.707402	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+Cl"	34.969402
"1280715"	454.215402	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Cl"	34.969402
"23274"	875.440606	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M-2H+K"	36.948606
"468302"	1294.686606	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M-2H+K"	36.948606
"842822"	456.194606	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-2H+K"	36.948606
"1561936"	456.194606	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+K-2H"	36.948606
"950911"	464.244194	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-H+HCOOH"	44.998194
"369129"	883.490201	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+HCOOH-H"	44.998201
"356290"	897.505851	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+Hac-H"	59.013851
"1501846"	478.259851	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Hac-H"	59.013851
"965013"	486.226151	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-H+NaCOOH"	66.980151
"113920"	454.215402	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+2Cl"	69.938804
"550561"	663.838402	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+2Cl"	69.938804
"1024464"	244.592402	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2Cl"	69.938804
"1241857"	498.164885	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Br"	78.918885
"1319848"	500.220872	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Cl+HCOOH"	80.974872
"1332381"	522.202829	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Cl+NaCOOH"	102.956829
"921617"	532.231586	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M-H+CF3COOH"	112.985586
"1302335"	568.208264	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Cl+CF3COOH"	148.962264
"1371018"	384.233324	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H-2H2O"	-35.012676
"1386328"	402.2433	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H-H2O"	-17.0027
"289297"	839.499276	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+H"	1.007276
"676854"	1258.745276	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+H"	1.007276
"1354054"	420.253276	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H"	1.007276
"126009"	420.253276	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+2H"	2.014552
"567960"	629.876276	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+2H"	2.014552
"1038581"	210.630276	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2H"	2.014552
"219130"	280.504609333333	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+3H"	3.021828
"656623"	420.253276	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+3H"	3.021828
"1173654"	140.755942666667	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+3H"	3.021828
"435834"	856.525823	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+NH4"	18.033823
"796830"	1275.771823	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+NH4"	18.033823
"1693165"	437.279823	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+NH4"	18.033823
"340349"	428.7665495	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+H+NH4"	19.041099
"729489"	638.3895495	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+H+NH4"	19.041099
"1484404"	219.1435495	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H+NH4"	19.041099
"400895"	861.481218	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+Na"	22.989218
"756422"	1280.727218	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+Na"	22.989218
"1605614"	442.235218	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Na"	22.989218
"324404"	431.244247	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+H+Na"	23.996494
"714644"	640.867247	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+H+Na"	23.996494
"1472837"	221.621247	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H+Na"	23.996494
"1062800"	148.083256666667	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2H+Na"	25.00377
"1265572"	452.279486	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+CH3OH+H"	33.033486
"381959"	877.455158	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+K"	38.963158
"745143"	1296.701158	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+K"	38.963158
"1546103"	458.209158	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+K"	38.963158
"306557"	439.231217	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+H+K"	39.970434
"693872"	648.854217	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+H+K"	39.970434
"1446231"	229.608217	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H+K"	39.970434
"236290"	880.525826	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+ACN+H"	42.033826
"1210332"	461.279826	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+ACN+H"	42.033826
"1194209"	231.143551	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+ACN+2H"	43.041102
"189389"	883.46316	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+2Na-H"	44.97116
"628663"	1302.70916	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+2Na-H"	44.97116
"1132102"	464.21716	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2Na-H"	44.97116
"175760"	442.235218	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+2Na"	45.978436
"622981"	651.858218	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+2Na"	45.978436
"1129041"	232.612218	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2Na"	45.978436
"1409284"	155.410570666667	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H+2Na"	46.985712
"1443223"	466.258746	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H+HCOOH"	47.012746
"228911"	447.26824	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+3H2O+2H"	56.04448
"1517701"	480.31079	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+IsoProp+H"	61.06479
"420668"	450.222188	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+Na+K"	61.952376
"776927"	659.845188	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+Na+K"	61.952376
"1672890"	240.599188	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Na+K"	61.952376
"259411"	902.507768	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+ACN+Na"	64.015768
"1233213"	483.261768	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+ACN+Na"	64.015768
"1722099"	483.285293	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+NH4+HCOOH"	64.039293
"1183080"	162.737884666667	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+3Na"	68.967654
"1652610"	488.240688	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Na+HCOOH"	68.994688
"162020"	915.41104	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+2K-H"	76.91904
"600488"	1334.65704	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+2K-H"	76.91904
"1087919"	496.16504	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2K-H"	76.91904
"142913"	458.209158	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"2M+2K"	77.926316
"582593"	667.832158	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"3M+2K"	77.926316
"1070269"	248.586158	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2K"	77.926316
"1105665"	498.179592	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2K+H"	78.933592
"1345334"	498.267207	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+DMSO+H"	79.021207
"1006933"	502.306376	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2ACN+H"	83.060376
"1528707"	503.300008	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+IsoProp+Na+H"	84.054008
"991023"	251.656826	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+2ACN+2H"	84.067652
"1590756"	504.214628	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+K+HCOOH"	84.968628
"1415685"	534.246138	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+H+CF3COOH"	115.000138
"1152172"	272.170101	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+3ACN+2H"	125.094202
"1706097"	551.272685	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+NH4+CF3COOH"	132.026685
"1642842"	556.22808	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+Na+CF3COOH"	136.98208
"1578492"	572.20202	"C20531"	"13-Desoxypaxilline;13-Deoxypaxilline"	"C27H33NO3"	"419.246"	"M+K+CF3COOH"	152.95602
"808857"	589.3767	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M"	0
"978015"	570.35831	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-H2O-H"	-19.01839
"68443"	391.910524	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M-3H"	-3.021828
"508003"	588.369424	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M-3H"	-3.021828
"886902"	195.451624	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-3H"	-3.021828
"12043"	588.369424	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M-2H"	-2.014552
"447227"	883.057774	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M-2H"	-2.014552
"826123"	293.681074	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-2H"	-2.014552
"81741"	1177.746124	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M-H"	-1.007276
"533219"	1767.122824	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M-H"	-1.007276
"909928"	588.369424	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-H"	-1.007276
"62603"	1194.772671	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M-2H+NH4"	16.019271
"499243"	1784.149371	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M-2H+NH4"	16.019271
"870852"	605.395971	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-2H+NH4"	16.019271
"43128"	1199.728066	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M-2H+Na"	20.974666
"477220"	1789.104766	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M-2H+Na"	20.974666
"856116"	610.351366	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-2H+Na"	20.974666
"1625649"	610.351366	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Na-2H"	20.974666
"106559"	606.357763	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M-H+Cl"	33.962126
"540649"	901.046113	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M-H+Cl"	33.962126
"935255"	311.669413	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-H+Cl"	33.962126
"271625"	1213.722802	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+Cl"	34.969402
"670607"	1803.099502	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+Cl"	34.969402
"1280825"	624.346102	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Cl"	34.969402
"24478"	1215.702006	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M-2H+K"	36.948606
"468412"	1805.078706	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M-2H+K"	36.948606
"841838"	626.325306	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-2H+K"	36.948606
"1562046"	626.325306	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+K-2H"	36.948606
"951021"	634.374894	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-H+HCOOH"	44.998194
"370332"	1223.751601	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+HCOOH-H"	44.998201
"355307"	1237.767251	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+Hac-H"	59.013851
"1503049"	648.390551	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Hac-H"	59.013851
"965123"	656.356851	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-H+NaCOOH"	66.980151
"110750"	624.346102	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+2Cl"	69.938804
"552493"	919.034452	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+2Cl"	69.938804
"1023480"	329.657752	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2Cl"	69.938804
"1242331"	668.295585	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Br"	78.918885
"1319733"	670.351572	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Cl+HCOOH"	80.974872
"1332491"	692.333529	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Cl+NaCOOH"	102.956829
"921727"	702.362286	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M-H+CF3COOH"	112.985586
"1301352"	738.338964	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Cl+CF3COOH"	148.962264
"1371128"	554.364024	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H-2H2O"	-35.012676
"1383319"	572.374	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H-H2O"	-17.0027
"287220"	1179.760676	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+H"	1.007276
"675708"	1769.137376	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+H"	1.007276
"1351428"	590.383976	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H"	1.007276
"125868"	590.383976	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+2H"	2.014552
"566114"	885.072326	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+2H"	2.014552
"1038328"	295.695626	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2H"	2.014552
"217174"	393.925076	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+3H"	3.021828
"654547"	590.383976	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+3H"	3.021828
"1172671"	197.466176	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+3H"	3.021828
"437767"	1196.787223	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+NH4"	18.033823
"798033"	1786.163923	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+NH4"	18.033823
"1695462"	607.410523	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+NH4"	18.033823
"337179"	598.8972495	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+H+NH4"	19.041099
"729599"	893.5855995	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+H+NH4"	19.041099
"1485608"	304.2088995	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H+NH4"	19.041099
"395901"	1201.742618	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+Na"	22.989218
"756532"	1791.119318	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+Na"	22.989218
"1605724"	612.365918	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Na"	22.989218
"324514"	601.374947	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+H+Na"	23.996494
"717672"	896.063297	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+H+Na"	23.996494
"1471492"	306.686597	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H+Na"	23.996494
"1060723"	204.79349	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2H+Na"	25.00377
"1266775"	622.410186	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+CH3OH+H"	33.033486
"382069"	1217.716558	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+K"	38.963158
"746346"	1807.093258	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+K"	38.963158
"1546213"	628.339858	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+K"	38.963158
"304480"	609.361917	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+H+K"	39.970434
"691547"	904.050267	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+H+K"	39.970434
"1445769"	314.673567	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H+K"	39.970434
"235987"	1220.787226	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+ACN+H"	42.033826
"1210152"	631.410526	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+ACN+H"	42.033826
"1194601"	316.208901	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+ACN+2H"	43.041102
"189873"	1223.72456	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+2Na-H"	44.97116
"628736"	1813.10126	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+2Na-H"	44.97116
"1131518"	634.34786	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2Na-H"	44.97116
"174777"	612.365918	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+2Na"	45.978436
"622360"	907.054268	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+2Na"	45.978436
"1131237"	317.677568	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2Na"	45.978436
"1409394"	212.120804	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H+2Na"	46.985712
"1440418"	636.389446	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H+HCOOH"	47.012746
"229021"	617.39894	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+3H2O+2H"	56.04448
"1515988"	650.44149	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+IsoProp+H"	61.06479
"420778"	620.352888	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+Na+K"	61.952376
"773391"	915.041238	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+Na+K"	61.952376
"1668626"	325.664538	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Na+K"	61.952376
"259520"	1242.769168	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+ACN+Na"	64.015768
"1231137"	653.392468	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+ACN+Na"	64.015768
"1725490"	653.415993	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+NH4+HCOOH"	64.039293
"1184283"	219.448118	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+3Na"	68.967654
"1653449"	658.371388	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Na+HCOOH"	68.994688
"158850"	1255.67244	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+2K-H"	76.91904
"599141"	1845.04914	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+2K-H"	76.91904
"1084868"	666.29574	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2K-H"	76.91904
"143387"	628.339858	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"2M+2K"	77.926316
"585864"	923.028208	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"3M+2K"	77.926316
"1073659"	333.651508	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2K"	77.926316
"1105775"	668.310292	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2K+H"	78.933592
"1344351"	668.397907	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+DMSO+H"	79.021207
"1008504"	672.437076	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2ACN+H"	83.060376
"1531005"	673.430708	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+IsoProp+Na+H"	84.054008
"995266"	336.722176	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+2ACN+2H"	84.067652
"1594146"	674.345328	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+K+HCOOH"	84.968628
"1416524"	704.376838	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+H+CF3COOH"	115.000138
"1152282"	357.235451	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+3ACN+2H"	125.094202
"1706207"	721.403385	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+NH4+CF3COOH"	132.026685
"1642952"	726.35878	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+Na+CF3COOH"	136.98208
"1578602"	742.33272	"C20532"	"2021-Diprenylterpendole I"	"C37H51NO5"	"589.3767"	"M+K+CF3COOH"	152.95602
"808967"	601.3403	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M"	0
"980312"	582.32191	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-H2O-H"	-19.01839
"69647"	399.886257333333	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M-3H"	-3.021828
"507020"	600.333024	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M-3H"	-3.021828
"888106"	199.439490666667	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-3H"	-3.021828
"12153"	600.333024	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M-2H"	-2.014552
"447337"	901.003174	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M-2H"	-2.014552
"829516"	299.662874	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-2H"	-2.014552
"81851"	1201.673324	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M-H"	-1.007276
"533821"	1803.013624	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M-H"	-1.007276
"910976"	600.333024	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-H"	-1.007276
"62557"	1218.699871	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M-2H+NH4"	16.019271
"502519"	1820.040171	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M-2H+NH4"	16.019271
"873149"	617.359571	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-2H+NH4"	16.019271
"43238"	1223.655266	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M-2H+Na"	20.974666
"477330"	1824.995566	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M-2H+Na"	20.974666
"855132"	622.314966	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-2H+Na"	20.974666
"1622843"	622.314966	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Na-2H"	20.974666
"105573"	618.321363	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M-H+Cl"	33.962126
"539666"	918.991513	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M-H+Cl"	33.962126
"932084"	317.651213	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-H+Cl"	33.962126
"271736"	1237.650002	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+Cl"	34.969402
"671811"	1838.990302	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+Cl"	34.969402
"1285310"	636.309702	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Cl"	34.969402
"26774"	1239.629206	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M-2H+K"	36.948606
"470345"	1840.969506	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M-2H+K"	36.948606
"845958"	638.288906	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-2H+K"	36.948606
"1569446"	638.288906	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+K-2H"	36.948606
"952224"	646.338494	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-H+HCOOH"	44.998194
"373725"	1247.678801	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+HCOOH-H"	44.998201
"359427"	1261.694451	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+Hac-H"	59.013851
"1506074"	660.354151	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Hac-H"	59.013851
"961953"	668.320451	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-H+NaCOOH"	66.980151
"114140"	636.309702	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+2Cl"	69.938804
"554792"	936.979852	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+2Cl"	69.938804
"1024685"	335.639552	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2Cl"	69.938804
"1244630"	680.259185	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Br"	78.918885
"1318387"	682.315172	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Cl+HCOOH"	80.974872
"1334060"	704.297129	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Cl+NaCOOH"	102.956829
"925119"	714.325886	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M-H+CF3COOH"	112.985586
"1302922"	750.302564	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Cl+CF3COOH"	148.962264
"1376705"	566.327624	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H-2H2O"	-35.012676
"1396755"	584.3376	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H-H2O"	-17.0027
"290610"	1203.687876	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+H"	1.007276
"677925"	1805.028176	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+H"	1.007276
"1353910"	602.347576	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H"	1.007276
"127526"	602.347576	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+2H"	2.014552
"566844"	903.017726	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+2H"	2.014552
"1038804"	301.677426	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2H"	2.014552
"216191"	401.900809333333	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+3H"	3.021828
"654657"	602.347576	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+3H"	3.021828
"1173874"	201.454042666667	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+3H"	3.021828
"437149"	1220.714423	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+NH4"	18.033823
"798143"	1822.054723	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+NH4"	18.033823
"1696301"	619.374123	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+NH4"	18.033823
"339476"	610.8608495	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+H+NH4"	19.041099
"737366"	911.5309995	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+H+NH4"	19.041099
"1490091"	310.1906995	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H+NH4"	19.041099
"400023"	1225.669818	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+Na"	22.989218
"762110"	1827.010118	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+Na"	22.989218
"1609114"	624.329518	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Na"	22.989218
"327178"	613.338547	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+H+Na"	23.996494
"712678"	914.008697	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+H+Na"	23.996494
"1469776"	312.668397	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H+Na"	23.996494
"1061926"	208.781356666667	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2H+Na"	25.00377
"1268708"	634.373786	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+CH3OH+H"	33.033486
"378898"	1241.643758	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+K"	38.963158
"743175"	1842.984058	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+K"	38.963158
"1547416"	640.303458	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+K"	38.963158
"302403"	621.325517	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+H+K"	39.970434
"692999"	921.995667	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+H+K"	39.970434
"1447543"	320.655367	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H+K"	39.970434
"237241"	1244.714426	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+ACN+H"	42.033826
"1212499"	643.374126	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+ACN+H"	42.033826
"1194793"	322.190701	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+ACN+2H"	43.041102
"190349"	1247.65176	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+2Na-H"	44.97116
"631369"	1848.99206	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+2Na-H"	44.97116
"1132687"	646.31146	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2Na-H"	44.97116
"174521"	624.329518	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+2Na"	45.978436
"620283"	924.999668	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+2Na"	45.978436
"1129988"	323.659368	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2Na"	45.978436
"1411693"	216.108670666667	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H+2Na"	46.985712
"1441621"	648.353046	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H+HCOOH"	47.012746
"229131"	629.36254	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+3H2O+2H"	56.04448
"1518285"	662.40509	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+IsoProp+H"	61.06479
"421253"	632.316488	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+Na+K"	61.952376
"773499"	932.986638	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+Na+K"	61.952376
"1677120"	331.646338	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Na+K"	61.952376
"265466"	1266.696368	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+ACN+Na"	64.015768
"1237442"	665.356068	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+ACN+Na"	64.015768
"1723781"	665.379593	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+NH4+HCOOH"	64.039293
"1189501"	223.435984666667	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+3Na"	68.967654
"1653193"	670.334988	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Na+HCOOH"	68.994688
"161514"	1279.59964	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+2K-H"	76.91904
"600346"	1880.93994	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+2K-H"	76.91904
"1085462"	678.25934	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2K-H"	76.91904
"143133"	640.303458	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"2M+2K"	77.926316
"585974"	940.973608	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"3M+2K"	77.926316
"1073769"	339.633308	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2K"	77.926316
"1105885"	680.273892	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2K+H"	78.933592
"1345555"	680.361507	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+DMSO+H"	79.021207
"1006668"	684.400676	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2ACN+H"	83.060376
"1528929"	685.394308	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+IsoProp+Na+H"	84.054008
"992458"	342.703976	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+2ACN+2H"	84.067652
"1588787"	686.308928	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+K+HCOOH"	84.968628
"1422103"	716.340438	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+H+CF3COOH"	115.000138
"1159683"	363.217251	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+3ACN+2H"	125.094202
"1706317"	733.366985	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+NH4+CF3COOH"	132.026685
"1637594"	738.32238	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+Na+CF3COOH"	136.98208
"1578712"	754.29632	"C20533"	"Lolitrem K"	"C37H47NO6"	"601.3403"	"M+K+CF3COOH"	152.95602
"809077"	405.2668	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M"	0
"978235"	386.24841	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-H2O-H"	-19.01839
"65383"	269.170590666667	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M-3H"	-3.021828
"506037"	404.259524	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M-3H"	-3.021828
"886029"	134.081657333333	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-3H"	-3.021828
"12263"	404.259524	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M-2H"	-2.014552
"447447"	606.892924	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M-2H"	-2.014552
"819780"	201.626124	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-2H"	-2.014552
"81961"	809.526324	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M-H"	-1.007276
"532718"	1214.793124	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M-H"	-1.007276
"910764"	404.259524	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-H"	-1.007276
"62588"	826.552871	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M-2H+NH4"	16.019271
"501176"	1231.819671	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M-2H+NH4"	16.019271
"876539"	421.286071	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-2H+NH4"	16.019271
"38974"	831.508266	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M-2H+Na"	20.974666
"480720"	1236.775066	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M-2H+Na"	20.974666
"856335"	426.241466	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-2H+Na"	20.974666
"1624774"	426.241466	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Na-2H"	20.974666
"104590"	422.247863	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M-H+Cl"	33.962126
"539776"	624.881263	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M-H+Cl"	33.962126
"934382"	219.614463	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-H+Cl"	33.962126
"269660"	845.503002	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+Cl"	34.969402
"669734"	1250.769802	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+Cl"	34.969402
"1284326"	440.236202	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Cl"	34.969402
"29073"	847.482206	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M-2H+K"	36.948606
"469972"	1252.749006	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M-2H+K"	36.948606
"844975"	442.215406	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-2H+K"	36.948606
"1568462"	442.215406	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+K-2H"	36.948606
"953427"	450.264994	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-H+HCOOH"	44.998194
"371649"	855.531801	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+HCOOH-H"	44.998201
"358810"	869.547451	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+Hac-H"	59.013851
"1504000"	464.280651	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Hac-H"	59.013851
"965343"	472.246951	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-H+NaCOOH"	66.980151
"119718"	440.236202	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+2Cl"	69.938804
"551623"	642.869602	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+2Cl"	69.938804
"1026983"	237.602802	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2Cl"	69.938804
"1244376"	484.185685	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Br"	78.918885
"1317404"	486.241672	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Cl+HCOOH"	80.974872
"1331982"	508.223629	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Cl+NaCOOH"	102.956829
"924864"	518.252386	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M-H+CF3COOH"	112.985586
"1301212"	554.229064	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Cl+CF3COOH"	148.962264
"1376815"	370.254124	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H-2H2O"	-35.012676
"1396988"	388.2641	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H-H2O"	-17.0027
"290720"	811.540876	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+H"	1.007276
"676699"	1216.807676	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+H"	1.007276
"1353289"	406.274076	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H"	1.007276
"128730"	406.274076	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+2H"	2.014552
"568288"	608.907476	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+2H"	2.014552
"1037449"	203.640676	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2H"	2.014552
"215937"	271.185142666667	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+3H"	3.021828
"653674"	406.274076	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+3H"	3.021828
"1172891"	136.096209333333	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+3H"	3.021828
"432886"	828.567423	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+NH4"	18.033823
"793879"	1233.834223	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+NH4"	18.033823
"1693495"	423.300623	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+NH4"	18.033823
"341773"	414.7873495	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+H+NH4"	19.041099
"737841"	617.4207495	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+H+NH4"	19.041099
"1482546"	212.1539495	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H+NH4"	19.041099
"400133"	833.522818	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+Na"	22.989218
"760032"	1238.789618	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+Na"	22.989218
"1609224"	428.256018	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Na"	22.989218
"327291"	417.265047	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+H+Na"	23.996494
"717163"	619.898447	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+H+Na"	23.996494
"1469886"	214.631647	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H+Na"	23.996494
"1062036"	143.423523333333	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2H+Na"	25.00377
"1267726"	438.300286	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+CH3OH+H"	33.033486
"380101"	849.496758	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+K"	38.963158
"744378"	1254.763558	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+K"	38.963158
"1544243"	444.229958	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+K"	38.963158
"302513"	425.252017	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+H+K"	39.970434
"692865"	627.885417	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+H+K"	39.970434
"1446682"	222.618617	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H+K"	39.970434
"237715"	852.567426	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+ACN+H"	42.033826
"1210662"	447.300626	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+ACN+H"	42.033826
"1194503"	224.153951	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+ACN+2H"	43.041102
"188669"	855.50476	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+2Na-H"	44.97116
"629533"	1260.77156	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+2Na-H"	44.97116
"1133162"	450.23796	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2Na-H"	44.97116
"177547"	428.256018	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+2Na"	45.978436
"621486"	630.889418	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+2Na"	45.978436
"1124994"	225.622618	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2Na"	45.978436
"1411802"	150.750837333333	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H+2Na"	46.985712
"1442460"	452.279546	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H+HCOOH"	47.012746
"233984"	433.28904	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+3H2O+2H"	56.04448
"1520947"	466.33159	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+IsoProp+H"	61.06479
"421367"	436.242988	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+Na+K"	61.952376
"774702"	638.876388	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+Na+K"	61.952376
"1676867"	233.609588	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Na+K"	61.952376
"265940"	874.549368	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+ACN+Na"	64.015768
"1237189"	469.282568	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+ACN+Na"	64.015768
"1723163"	469.306093	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+NH4+HCOOH"	64.039293
"1189974"	158.078151333333	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+3Na"	68.967654
"1654396"	474.261488	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Na+HCOOH"	68.994688
"161624"	887.45264	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+2K-H"	76.91904
"601915"	1292.71944	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+2K-H"	76.91904
"1085936"	482.18584	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2K-H"	76.91904
"143244"	444.229958	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"2M+2K"	77.926316
"582804"	646.863358	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"3M+2K"	77.926316
"1072786"	241.596558	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2K"	77.926316
"1103808"	484.200392	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2K+H"	78.933592
"1346029"	484.288007	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+DMSO+H"	79.021207
"1012008"	488.327176	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2ACN+H"	83.060376
"1532319"	489.320808	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+IsoProp+Na+H"	84.054008
"995488"	244.667226	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+2ACN+2H"	84.067652
"1591086"	490.235428	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+K+HCOOH"	84.968628
"1422213"	520.266938	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+H+CF3COOH"	115.000138
"1157970"	265.180501	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+3ACN+2H"	125.094202
"1706427"	537.293485	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+NH4+CF3COOH"	132.026685
"1637704"	542.24888	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+Na+CF3COOH"	136.98208
"1578822"	558.22282	"C20534"	"12-Demethyl-1112-dehydropaspaline"	"C27H35NO2"	"405.2668"	"M+K+CF3COOH"	152.95602
"802260"	421.2617	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M"	0
"975791"	402.24331	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H2O-H"	-19.01839
"66220"	279.833857333333	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-3H"	-3.021828
"505050"	420.254424	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-3H"	-3.021828
"880671"	139.413290666667	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-3H"	-3.021828
"6901"	420.254424	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H"	-2.014552
"442087"	630.885274	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H"	-2.014552
"818431"	209.623574	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H"	-2.014552
"79515"	841.516124	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-H"	-1.007276
"533914"	1262.777824	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-H"	-1.007276
"909162"	420.254424	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H"	-1.007276
"62618"	858.542671	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H+NH4"	16.019271
"502462"	1279.804371	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H+NH4"	16.019271
"879412"	437.280971	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H+NH4"	16.019271
"46783"	863.498066	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H+Na"	20.974666
"486299"	1284.759766	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H+Na"	20.974666
"858632"	442.236366	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H+Na"	20.974666
"1632176"	442.236366	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na-2H"	20.974666
"102511"	438.242763	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-H+Cl"	33.962126
"542070"	648.873613	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-H+Cl"	33.962126
"935586"	227.611913	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+Cl"	33.962126
"279609"	877.492802	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Cl"	34.969402
"669843"	1298.754502	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+Cl"	34.969402
"1287597"	456.231102	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl"	34.969402
"30155"	879.472006	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H+K"	36.948606
"469473"	1300.733706	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H+K"	36.948606
"847636"	458.210306	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H+K"	36.948606
"1566749"	458.210306	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K-2H"	36.948606
"946976"	466.259894	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+HCOOH"	44.998194
"376130"	887.521601	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+HCOOH-H"	44.998201
"360014"	901.537251	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Hac-H"	59.013851
"1502282"	480.275551	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Hac-H"	59.013851
"966549"	488.241851	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+NaCOOH"	66.980151
"121653"	456.231102	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2Cl"	69.938804
"560483"	666.861952	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2Cl"	69.938804
"1027095"	245.600252	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2Cl"	69.938804
"1245577"	500.180585	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Br"	78.918885
"1317877"	502.236572	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl+HCOOH"	80.974872
"1332092"	524.218529	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl+NaCOOH"	102.956829
"924975"	534.247286	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+CF3COOH"	112.985586
"1298766"	570.223964	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl+CF3COOH"	148.962264
"1381665"	386.249024	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H-2H2O"	-35.012676
"1395516"	404.259	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H-H2O"	-17.0027
"289738"	843.530676	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H"	1.007276
"676325"	1264.792376	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H"	1.007276
"1354133"	422.268976	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H"	1.007276
"128115"	422.268976	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2H"	2.014552
"566576"	632.899826	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2H"	2.014552
"1039384"	211.638126	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2H"	2.014552
"213130"	281.848409333333	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+3H"	3.021828
"648680"	422.268976	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+3H"	3.021828
"1168626"	141.427842666667	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+3H"	3.021828
"439881"	860.557223	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+NH4"	18.033823
"801351"	1281.818923	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+NH4"	18.033823
"1694698"	439.295523	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+NH4"	18.033823
"344069"	430.7822495	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H+NH4"	19.041099
"738440"	641.4130995	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H+NH4"	19.041099
"1483749"	220.1513995	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+NH4"	19.041099
"400243"	865.512618	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Na"	22.989218
"762329"	1286.774318	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+Na"	22.989218
"1610427"	444.250918	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na"	22.989218
"329585"	433.259947	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H+Na"	23.996494
"719461"	643.890797	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H+Na"	23.996494
"1472912"	222.629097	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+Na"	23.996494
"1062146"	148.755156666667	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2H+Na"	25.00377
"1268564"	454.295186	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+CH3OH+H"	33.033486
"380212"	881.486558	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+K"	38.963158
"744488"	1302.748258	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+K"	38.963158
"1543260"	460.224858	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K"	38.963158
"301530"	441.246917	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H+K"	39.970434
"692854"	651.877767	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H+K"	39.970434
"1446672"	230.616067	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+K"	39.970434
"236730"	884.557226	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+ACN+H"	42.033826
"1210120"	463.295526	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+ACN+H"	42.033826
"1195510"	232.151401	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+ACN+2H"	43.041102
"188698"	887.49456	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2Na-H"	44.97116
"628570"	1308.75626	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2Na-H"	44.97116
"1132908"	466.23286	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2Na-H"	44.97116
"177657"	444.250918	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2Na"	45.978436
"620503"	654.881768	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2Na"	45.978436
"1121824"	233.620068	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2Na"	45.978436
"1413865"	156.082470666667	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+2Na"	46.985712
"1444765"	468.274446	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+HCOOH"	47.012746
"234704"	449.28394	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+3H2O+2H"	56.04448
"1521424"	482.32649	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+IsoProp+H"	61.06479
"420381"	452.237888	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Na+K"	61.952376
"778097"	662.868738	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+Na+K"	61.952376
"1672240"	241.607038	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na+K"	61.952376
"262038"	906.539168	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+ACN+Na"	64.015768
"1231833"	485.277468	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+ACN+Na"	64.015768
"1722540"	485.300993	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+NH4+HCOOH"	64.039293
"1190082"	163.409784666667	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+3Na"	68.967654
"1655964"	490.256388	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na+HCOOH"	68.994688
"164651"	919.44244	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2K-H"	76.91904
"606764"	1340.70414	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2K-H"	76.91904
"1089818"	498.18074	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2K-H"	76.91904
"144447"	460.224858	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2K"	77.926316
"585102"	670.855708	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2K"	77.926316
"1072896"	249.594008	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2K"	77.926316
"1112667"	500.195292	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2K+H"	78.933592
"1349057"	500.282907	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+DMSO+H"	79.021207
"1016861"	504.322076	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2ACN+H"	83.060376
"1531340"	505.315708	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+IsoProp+Na+H"	84.054008
"996693"	252.664676	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2ACN+2H"	84.067652
"1597757"	506.230328	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K+HCOOH"	84.968628
"1425604"	536.261838	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+CF3COOH"	115.000138
"1159903"	273.177951	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+3ACN+2H"	125.094202
"1707632"	553.288385	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+NH4+CF3COOH"	132.026685
"1644375"	558.24378	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na+CF3COOH"	136.98208
"1578932"	574.21772	"C20535"	"beta-PC-M6;beta-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K+CF3COOH"	152.95602
"802370"	437.293	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M"	0
"974522"	418.27461	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-H2O-H"	-19.01839
"63415"	290.521390666667	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M-3H"	-3.021828
"503133"	436.285724	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M-3H"	-3.021828
"880780"	144.757057333333	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-3H"	-3.021828
"1909"	436.285724	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M-2H"	-2.014552
"441104"	654.932224	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M-2H"	-2.014552
"817487"	217.639224	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-2H"	-2.014552
"78769"	873.578724	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M-H"	-1.007276
"532565"	1310.871724	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M-H"	-1.007276
"909637"	436.285724	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-H"	-1.007276
"62562"	890.605271	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M-2H+NH4"	16.019271
"502366"	1327.898271	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M-2H+NH4"	16.019271
"879712"	453.312271	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-2H+NH4"	16.019271
"46849"	895.560666	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M-2H+Na"	20.974666
"486045"	1332.853666	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M-2H+Na"	20.974666
"852182"	458.267666	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-2H+Na"	20.974666
"1632285"	458.267666	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Na-2H"	20.974666
"101528"	454.274063	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M-H+Cl"	33.962126
"535618"	672.920563	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M-H+Cl"	33.962126
"934603"	235.627563	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-H+Cl"	33.962126
"279719"	909.555402	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+Cl"	34.969402
"669953"	1346.848402	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+Cl"	34.969402
"1283451"	472.262402	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Cl"	34.969402
"23820"	911.534606	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M-2H+K"	36.948606
"469583"	1348.827606	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M-2H+K"	36.948606
"847625"	474.241606	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-2H+K"	36.948606
"1565766"	474.241606	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+K-2H"	36.948606
"944899"	482.291194	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-H+HCOOH"	44.998194
"374051"	919.584201	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+HCOOH-H"	44.998201
"354653"	933.599851	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+Hac-H"	59.013851
"1493765"	496.306851	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Hac-H"	59.013851
"969939"	504.273151	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-H+NaCOOH"	66.980151
"121034"	472.262402	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+2Cl"	69.938804
"560593"	690.908902	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+2Cl"	69.938804
"1030485"	253.615902	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2Cl"	69.938804
"1247872"	516.211885	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Br"	78.918885
"1317623"	518.267872	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Cl+HCOOH"	80.974872
"1332202"	540.249829	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Cl+NaCOOH"	102.956829
"924355"	550.278586	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M-H+CF3COOH"	112.985586
"1301062"	586.255264	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Cl+CF3COOH"	148.962264
"1380927"	402.280324	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H-2H2O"	-35.012676
"1397448"	420.2903	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H-H2O"	-17.0027
"294216"	875.593276	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+H"	1.007276
"681174"	1312.886276	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+H"	1.007276
"1353150"	438.300276	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H"	1.007276
"128224"	438.300276	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+2H"	2.014552
"566687"	656.946776	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+2H"	2.014552
"1041317"	219.653776	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2H"	2.014552
"212144"	292.535942666667	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+3H"	3.021828
"651706"	438.300276	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+3H"	3.021828
"1167640"	146.771609333333	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+3H"	3.021828
"439793"	892.619823	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+NH4"	18.033823
"796289"	1329.912823	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+NH4"	18.033823
"1691164"	455.326823	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+NH4"	18.033823
"344179"	446.8135495	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+H+NH4"	19.041099
"737697"	665.4600495	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+H+NH4"	19.041099
"1487140"	228.1670495	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H+NH4"	19.041099
"402540"	897.575218	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+Na"	22.989218
"763533"	1334.868218	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+Na"	22.989218
"1614911"	460.282218	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Na"	22.989218
"329455"	449.291247	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+H+Na"	23.996494
"719571"	667.937747	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+H+Na"	23.996494
"1473022"	230.644747	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H+Na"	23.996494
"1061163"	154.098923333333	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2H+Na"	25.00377
"1270132"	470.326486	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+CH3OH+H"	33.033486
"386883"	913.549158	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+K"	38.963158
"745692"	1350.842158	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+K"	38.963158
"1543371"	476.256158	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+K"	38.963158
"303827"	457.278217	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+H+K"	39.970434
"695153"	675.924717	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+H+K"	39.970434
"1448605"	238.631717	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H+K"	39.970434
"237570"	916.619826	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+ACN+H"	42.033826
"1209964"	479.326826	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+ACN+H"	42.033826
"1194397"	240.167051	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+ACN+2H"	43.041102
"189217"	919.55716	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+2Na-H"	44.97116
"628611"	1356.85016	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+2Na-H"	44.97116
"1133018"	482.26416	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2Na-H"	44.97116
"178132"	460.282218	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+2Na"	45.978436
"622799"	678.928718	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+2Na"	45.978436
"1126307"	241.635718	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2Na"	45.978436
"1413975"	161.426237333333	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H+2Na"	46.985712
"1443782"	484.305746	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H+HCOOH"	47.012746
"234207"	465.31524	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+3H2O+2H"	56.04448
"1523120"	498.35779	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+IsoProp+H"	61.06479
"423893"	468.269188	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+Na+K"	61.952376
"783672"	686.915688	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+Na+K"	61.952376
"1677817"	249.622688	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Na+K"	61.952376
"265066"	938.601768	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+ACN+Na"	64.015768
"1234860"	501.308768	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+ACN+Na"	64.015768
"1721559"	501.332293	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+NH4+HCOOH"	64.039293
"1190191"	168.753551333333	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+3Na"	68.967654
"1658992"	506.287688	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Na+HCOOH"	68.994688
"167314"	951.50504	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+2K-H"	76.91904
"605051"	1388.79804	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+2K-H"	76.91904
"1095031"	514.21204	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2K-H"	76.91904
"146744"	476.256158	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"2M+2K"	77.926316
"593231"	694.902658	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"3M+2K"	77.926316
"1076286"	257.609658	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2K"	77.926316
"1110225"	516.226592	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2K+H"	78.933592
"1349165"	516.314207	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+DMSO+H"	79.021207
"1018429"	520.353376	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2ACN+H"	83.060376
"1533636"	521.347008	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+IsoProp+Na+H"	84.054008
"996803"	260.680326	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+2ACN+2H"	84.067652
"1594587"	522.261628	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+K+HCOOH"	84.968628
"1424621"	552.293138	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+H+CF3COOH"	115.000138
"1160378"	281.193601	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+3ACN+2H"	125.094202
"1708835"	569.319685	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+NH4+CF3COOH"	132.026685
"1644485"	574.27508	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+Na+CF3COOH"	136.98208
"1579042"	590.24902	"C20536"	"Terpendole E"	"C28H39NO3"	"437.293"	"M+K+CF3COOH"	152.95602
"802846"	437.2566	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M"	0
"974750"	418.23821	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-H2O-H"	-19.01839
"63358"	290.497124	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M-3H"	-3.021828
"503279"	436.249324	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M-3H"	-3.021828
"880890"	144.744924	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-3H"	-3.021828
"1655"	436.249324	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M-2H"	-2.014552
"441456"	654.877624	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M-2H"	-2.014552
"818043"	217.621024	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-2H"	-2.014552
"78836"	873.505924	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M-H"	-1.007276
"533047"	1310.762524	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M-H"	-1.007276
"911200"	436.249324	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-H"	-1.007276
"62823"	890.532471	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M-2H+NH4"	16.019271
"502756"	1327.789071	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M-2H+NH4"	16.019271
"879917"	453.275871	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-2H+NH4"	16.019271
"46228"	895.487866	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M-2H+Na"	20.974666
"486524"	1332.744466	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M-2H+Na"	20.974666
"859946"	458.231266	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-2H+Na"	20.974666
"1632034"	458.231266	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Na-2H"	20.974666
"101635"	454.237663	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M-H+Cl"	33.962126
"542290"	672.865963	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M-H+Cl"	33.962126
"939086"	235.609363	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-H+Cl"	33.962126
"279829"	909.482602	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+Cl"	34.969402
"672979"	1346.739202	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+Cl"	34.969402
"1285748"	472.226002	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Cl"	34.969402
"23930"	911.461806	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M-2H+K"	36.948606
"470666"	1348.718406	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M-2H+K"	36.948606
"843481"	474.205206	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-2H+K"	36.948606
"1566969"	474.205206	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+K-2H"	36.948606
"950477"	482.254794	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-H+HCOOH"	44.998194
"375254"	919.511401	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+HCOOH-H"	44.998201
"353670"	933.527051	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+Hac-H"	59.013851
"1496305"	496.270451	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Hac-H"	59.013851
"971509"	504.236751	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-H+NaCOOH"	66.980151
"123697"	472.226002	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+2Cl"	69.938804
"563984"	690.854302	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+2Cl"	69.938804
"1030595"	253.597702	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2Cl"	69.938804
"1246890"	516.175485	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Br"	78.918885
"1318461"	518.231472	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Cl+HCOOH"	80.974872
"1331219"	540.213429	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Cl+NaCOOH"	102.956829
"923372"	550.242186	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M-H+CF3COOH"	112.985586
"1301172"	586.218864	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Cl+CF3COOH"	148.962264
"1379332"	402.243924	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H-2H2O"	-35.012676
"1394642"	420.2539	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H-H2O"	-17.0027
"287766"	875.520476	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+H"	1.007276
"681284"	1312.777076	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+H"	1.007276
"1358727"	438.263876	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H"	1.007276
"132709"	438.263876	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+2H"	2.014552
"568986"	656.892176	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+2H"	2.014552
"1039969"	219.635576	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2H"	2.014552
"214441"	292.511676	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+3H"	3.021828
"651816"	438.263876	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+3H"	3.021828
"1167385"	146.759476	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+3H"	3.021828
"438810"	892.547023	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+NH4"	18.033823
"798587"	1329.803623	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+NH4"	18.033823
"1695771"	455.290423	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+NH4"	18.033823
"342102"	446.7771495	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+H+NH4"	19.041099
"731243"	665.4054495	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+H+NH4"	19.041099
"1488343"	228.1488495	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H+NH4"	19.041099
"400463"	897.502418	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+Na"	22.989218
"763642"	1334.759018	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+Na"	22.989218
"1609554"	460.245818	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Na"	22.989218
"327617"	449.254847	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+H+Na"	23.996494
"720409"	667.883147	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+H+Na"	23.996494
"1476292"	230.626547	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H+Na"	23.996494
"1066742"	154.08679	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2H+Na"	25.00377
"1269149"	470.290086	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+CH3OH+H"	33.033486
"389181"	913.476358	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+K"	38.963158
"742522"	1350.732958	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+K"	38.963158
"1542389"	476.219758	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+K"	38.963158
"302844"	457.241817	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+H+K"	39.970434
"694169"	675.870117	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+H+K"	39.970434
"1447621"	238.613517	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H+K"	39.970434
"237316"	916.547026	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+ACN+H"	42.033826
"1215858"	479.290426	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+ACN+H"	42.033826
"1199740"	240.148851	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+ACN+2H"	43.041102
"189085"	919.48436	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+2Na-H"	44.97116
"628635"	1356.74096	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+2Na-H"	44.97116
"1133128"	482.22776	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2Na-H"	44.97116
"173865"	460.245818	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+2Na"	45.978436
"621815"	678.874118	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+2Na"	45.978436
"1129824"	241.617518	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2Na"	45.978436
"1412978"	161.414104	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H+2Na"	46.985712
"1443160"	484.269346	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H+HCOOH"	47.012746
"232855"	465.27884	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+3H2O+2H"	56.04448
"1522742"	498.32139	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+IsoProp+H"	61.06479
"419506"	468.232788	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+Na+K"	61.952376
"779408"	686.861088	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+Na+K"	61.952376
"1677927"	249.604488	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Na+K"	61.952376
"261166"	938.528968	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+ACN+Na"	64.015768
"1236063"	501.272368	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+ACN+Na"	64.015768
"1718388"	501.295893	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+NH4+HCOOH"	64.039293
"1186654"	168.741418	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+3Na"	68.967654
"1655820"	506.251288	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Na+HCOOH"	68.994688
"161590"	951.43224	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+2K-H"	76.91904
"600420"	1388.68884	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+2K-H"	76.91904
"1090039"	514.17564	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2K-H"	76.91904
"146855"	476.219758	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"2M+2K"	77.926316
"585321"	694.848058	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"3M+2K"	77.926316
"1073116"	257.591458	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2K"	77.926316
"1105231"	516.190192	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2K+H"	78.933592
"1349639"	516.277807	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+DMSO+H"	79.021207
"1017813"	520.316976	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2ACN+H"	83.060376
"1537757"	521.310608	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+IsoProp+Na+H"	84.054008
"1000193"	260.662126	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+2ACN+2H"	84.067652
"1594697"	522.225228	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+K+HCOOH"	84.968628
"1425824"	552.256738	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+H+CF3COOH"	115.000138
"1161216"	281.175401	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+3ACN+2H"	125.094202
"1707852"	569.283285	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+NH4+CF3COOH"	132.026685
"1644595"	574.23868	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+Na+CF3COOH"	136.98208
"1579152"	590.21262	"C20542"	"13-Desoxyterpendole I"	"C27H35NO4"	"437.2566"	"M+K+CF3COOH"	152.95602
"802104"	453.2515	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M"	0
"974329"	434.23311	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-H2O-H"	-19.01839
"62937"	301.160390666667	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M-3H"	-3.021828
"502985"	452.244224	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M-3H"	-3.021828
"883186"	150.076557333333	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-3H"	-3.021828
"2855"	452.244224	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M-2H"	-2.014552
"442416"	678.869974	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M-2H"	-2.014552
"817417"	225.618474	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-2H"	-2.014552
"79480"	905.495724	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M-H"	-1.007276
"533391"	1358.747224	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M-H"	-1.007276
"910757"	452.244224	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-H"	-1.007276
"62502"	922.522271	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M-2H+NH4"	16.019271
"502430"	1375.773771	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M-2H+NH4"	16.019271
"879583"	469.270771	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-2H+NH4"	16.019271
"46465"	927.477666	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M-2H+Na"	20.974666
"486798"	1380.729166	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M-2H+Na"	20.974666
"862978"	474.226166	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-2H+Na"	20.974666
"1632141"	474.226166	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Na-2H"	20.974666
"99558"	470.232563	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M-H+Cl"	33.962126
"541307"	696.858313	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M-H+Cl"	33.962126
"935916"	243.606813	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-H+Cl"	33.962126
"281038"	941.472402	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+Cl"	34.969402
"673089"	1394.723902	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+Cl"	34.969402
"1286830"	488.220902	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Cl"	34.969402
"20760"	943.451606	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M-2H+K"	36.948606
"463601"	1396.703106	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M-2H+K"	36.948606
"844684"	490.200106	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-2H+K"	36.948606
"1565986"	490.200106	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+K-2H"	36.948606
"947307"	498.249694	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-H+HCOOH"	44.998194
"373178"	951.501201	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+HCOOH-H"	44.998201
"353780"	965.516851	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+Hac-H"	59.013851
"1493985"	512.265351	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Hac-H"	59.013851
"972713"	520.231651	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-H+NaCOOH"	66.980151
"123077"	488.220902	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+2Cl"	69.938804
"564702"	714.846652	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+2Cl"	69.938804
"1024145"	261.595152	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2Cl"	69.938804
"1251375"	532.170385	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Br"	78.918885
"1311640"	534.226372	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Cl+HCOOH"	80.974872
"1331329"	556.208329	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Cl+NaCOOH"	102.956829
"926888"	566.237086	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M-H+CF3COOH"	112.985586
"1302375"	602.213764	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Cl+CF3COOH"	148.962264
"1381266"	418.238824	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H-2H2O"	-35.012676
"1394752"	436.2488	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H-H2O"	-17.0027
"287876"	907.510276	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+H"	1.007276
"686863"	1360.761776	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+H"	1.007276
"1357744"	454.258776	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H"	1.007276
"136101"	454.258776	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+2H"	2.014552
"572379"	680.884526	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+2H"	2.014552
"1040809"	227.633026	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2H"	2.014552
"215281"	303.174942666667	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+3H"	3.021828
"655205"	454.258776	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+3H"	3.021828
"1174423"	152.091109333333	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+3H"	3.021828
"438923"	924.536823	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+NH4"	18.033823
"799675"	1377.788323	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+NH4"	18.033823
"1694666"	471.285323	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+NH4"	18.033823
"338932"	462.7720495	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+H+NH4"	19.041099
"733540"	689.3977995	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+H+NH4"	19.041099
"1487359"	236.1462995	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H+NH4"	19.041099
"401663"	929.492218	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+Na"	22.989218
"762659"	1382.743718	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+Na"	22.989218
"1609664"	476.240718	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Na"	22.989218
"328945"	465.249747	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+H+Na"	23.996494
"717606"	691.875497	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+H+Na"	23.996494
"1474704"	238.623997	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H+Na"	23.996494
"1064665"	159.418423333333	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2H+Na"	25.00377
"1268531"	486.284986	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+CH3OH+H"	33.033486
"389291"	945.466158	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+K"	38.963158
"742632"	1398.717658	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+K"	38.963158
"1545779"	492.214658	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+K"	38.963158
"300768"	473.236717	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+H+K"	39.970434
"692456"	699.862467	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+H+K"	39.970434
"1447367"	246.610967	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H+K"	39.970434
"238520"	948.536826	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+ACN+H"	42.033826
"1217061"	495.285326	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+ACN+H"	42.033826
"1198757"	248.146301	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+ACN+2H"	43.041102
"188578"	951.47416	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+2Na-H"	44.97116
"628554"	1404.72566	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+2Na-H"	44.97116
"1131463"	498.22266	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2Na-H"	44.97116
"173975"	476.240718	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+2Na"	45.978436
"616819"	702.866468	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+2Na"	45.978436
"1130299"	249.614968	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2Na"	45.978436
"1412238"	166.745737333333	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H+2Na"	46.985712
"1445093"	500.264246	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H+HCOOH"	47.012746
"233938"	481.27374	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+3H2O+2H"	56.04448
"1523582"	514.31629	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+IsoProp+H"	61.06479
"422780"	484.227688	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+Na+K"	61.952376
"780610"	710.853438	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+Na+K"	61.952376
"1675848"	257.601938	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Na+K"	61.952376
"262370"	970.518768	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+ACN+Na"	64.015768
"1235080"	517.267268	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+ACN+Na"	64.015768
"1722873"	517.290793	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+NH4+HCOOH"	64.039293
"1188223"	174.073051333333	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+3Na"	68.967654
"1655200"	522.246188	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Na+HCOOH"	68.994688
"161698"	983.42204	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+2K-H"	76.91904
"599801"	1436.67354	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+2K-H"	76.91904
"1090149"	530.17054	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2K-H"	76.91904
"146965"	492.214658	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"2M+2K"	77.926316
"583244"	718.840408	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"3M+2K"	77.926316
"1078694"	265.588908	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2K"	77.926316
"1104247"	532.185092	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2K+H"	78.933592
"1348899"	532.272707	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+DMSO+H"	79.021207
"1020839"	536.311876	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2ACN+H"	83.060376
"1538233"	537.305508	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+IsoProp+Na+H"	84.054008
"1001397"	268.659576	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+2ACN+2H"	84.067652
"1594806"	538.220128	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+K+HCOOH"	84.968628
"1422653"	568.251638	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+H+CF3COOH"	115.000138
"1159503"	289.172851	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+3ACN+2H"	125.094202
"1707962"	585.278185	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+NH4+CF3COOH"	132.026685
"1645800"	590.23358	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+Na+CF3COOH"	136.98208
"1579262"	606.20752	"C20543"	"Terpendole I"	"C27H35NO5"	"453.2515"	"M+K+CF3COOH"	152.95602
"806346"	521.3141	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M"	0
"974362"	502.29571	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-H2O-H"	-19.01839
"63379"	346.535457333333	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M-3H"	-3.021828
"503303"	520.306824	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M-3H"	-3.021828
"880380"	172.764090666667	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-3H"	-3.021828
"778"	520.306824	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M-2H"	-2.014552
"442526"	780.963874	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M-2H"	-2.014552
"817282"	259.649774	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-2H"	-2.014552
"79223"	1041.620924	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M-H"	-1.007276
"533744"	1562.935024	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M-H"	-1.007276
"911068"	520.306824	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-H"	-1.007276
"61924"	1058.647471	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M-2H+NH4"	16.019271
"501852"	1579.961571	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M-2H+NH4"	16.019271
"879244"	537.333371	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-2H+NH4"	16.019271
"46695"	1063.602866	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M-2H+Na"	20.974666
"485941"	1584.916966	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M-2H+Na"	20.974666
"862351"	542.288766	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-2H+Na"	20.974666
"1632735"	542.288766	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Na-2H"	20.974666
"106226"	538.295163	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M-H+Cl"	33.962126
"543602"	798.952213	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M-H+Cl"	33.962126
"933836"	277.638113	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-H+Cl"	33.962126
"272392"	1077.597602	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+Cl"	34.969402
"673199"	1598.911702	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+Cl"	34.969402
"1286335"	556.283502	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Cl"	34.969402
"24150"	1079.576806	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M-2H+K"	36.948606
"464804"	1600.890906	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M-2H+K"	36.948606
"845890"	558.262706	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-2H+K"	36.948606
"1561721"	558.262706	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+K-2H"	36.948606
"947417"	566.312294	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-H+HCOOH"	44.998194
"372195"	1087.626401	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+HCOOH-H"	44.998201
"350610"	1101.642051	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+Hac-H"	59.013851
"1493608"	580.327951	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Hac-H"	59.013851
"972823"	588.294251	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-H+NaCOOH"	66.980151
"123549"	556.283502	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+2Cl"	69.938804
"565177"	816.940552	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+2Cl"	69.938804
"1029722"	295.626452	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2Cl"	69.938804
"1249298"	600.232985	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Br"	78.918885
"1311750"	602.288972	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Cl+HCOOH"	80.974872
"1332533"	624.270929	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Cl+NaCOOH"	102.956829
"926511"	634.299686	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M-H+CF3COOH"	112.985586
"1302486"	670.276364	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Cl+CF3COOH"	148.962264
"1381376"	486.301424	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H-2H2O"	-35.012676
"1397778"	504.3114	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H-H2O"	-17.0027
"290173"	1043.635476	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+H"	1.007276
"689888"	1564.949576	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+H"	1.007276
"1363321"	522.321376	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H"	1.007276
"137304"	522.321376	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+2H"	2.014552
"571396"	782.978426	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+2H"	2.014552
"1039463"	261.664326	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2H"	2.014552
"217215"	348.550009333333	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+3H"	3.021828
"655315"	522.321376	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+3H"	3.021828
"1173440"	174.778642666667	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+3H"	3.021828
"437702"	1060.662023	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+NH4"	18.033823
"800514"	1581.976123	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+NH4"	18.033823
"1696239"	539.347923	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+NH4"	18.033823
"341229"	530.8346495	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+H+NH4"	19.041099
"732557"	791.4916995	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+H+NH4"	19.041099
"1487470"	270.1775995	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H+NH4"	19.041099
"401775"	1065.617418	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+Na"	22.989218
"764956"	1586.931518	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+Na"	22.989218
"1614149"	544.303318	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Na"	22.989218
"328569"	533.312347	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+H+Na"	23.996494
"718080"	793.969397	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+H+Na"	23.996494
"1475423"	272.655297	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H+Na"	23.996494
"1066235"	182.105956666667	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2H+Na"	25.00377
"1271563"	554.347586	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+CH3OH+H"	33.033486
"392199"	1081.591358	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+K"	38.963158
"750032"	1602.905458	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+K"	38.963158
"1549169"	560.277258	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+K"	38.963158
"303065"	541.299317	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+H+K"	39.970434
"695483"	801.956367	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+H+K"	39.970434
"1447477"	280.642267	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H+K"	39.970434
"238266"	1084.662026	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+ACN+H"	42.033826
"1216077"	563.347926	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+ACN+H"	42.033826
"1198138"	282.177601	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+ACN+2H"	43.041102
"189545"	1087.59936	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+2Na-H"	44.97116
"629108"	1608.91346	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+2Na-H"	44.97116
"1132009"	566.28526	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2Na-H"	44.97116
"174206"	544.303318	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+2Na"	45.978436
"616565"	804.960368	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+2Na"	45.978436
"1130939"	283.646268	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2Na"	45.978436
"1412470"	189.433270666667	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H+2Na"	46.985712
"1444718"	568.326846	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H+HCOOH"	47.012746
"234052"	549.33634	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+3H2O+2H"	56.04448
"1523206"	582.37889	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+IsoProp+H"	61.06479
"422890"	552.290288	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+Na+K"	61.952376
"780722"	812.947338	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+Na+K"	61.952376
"1675960"	291.633238	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Na+K"	61.952376
"262479"	1106.643968	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+ACN+Na"	64.015768
"1235190"	585.329868	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+ACN+Na"	64.015768
"1723713"	585.353393	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+NH4+HCOOH"	64.039293
"1190525"	196.760584666667	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+3Na"	68.967654
"1654948"	590.308788	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Na+HCOOH"	68.994688
"160714"	1119.54724	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+2K-H"	76.91904
"601735"	1640.86134	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+2K-H"	76.91904
"1089165"	598.23314	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2K-H"	76.91904
"147075"	560.277258	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"2M+2K"	77.926316
"582624"	820.934308	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"3M+2K"	77.926316
"1078804"	299.620208	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2K"	77.926316
"1104358"	600.247692	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2K+H"	78.933592
"1349495"	600.335307	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+DMSO+H"	79.021207
"1020466"	604.374476	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2ACN+H"	83.060376
"1539436"	605.368108	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+IsoProp+Na+H"	84.054008
"1002600"	302.690876	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+2ACN+2H"	84.067652
"1598196"	606.282728	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+K+HCOOH"	84.968628
"1422763"	636.314238	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+H+CF3COOH"	115.000138
"1156333"	323.204151	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+3ACN+2H"	125.094202
"1708072"	653.340785	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+NH4+CF3COOH"	132.026685
"1645910"	658.29618	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+Na+CF3COOH"	136.98208
"1579372"	674.27012	"C20545"	"Terpendole J"	"C32H43NO5"	"521.3141"	"M+K+CF3COOH"	152.95602
"803176"	519.2985	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M"	0
"974715"	500.28011	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-H2O-H"	-19.01839
"63527"	345.191724	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M-3H"	-3.021828
"504987"	518.291224	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M-3H"	-3.021828
"881220"	172.092224	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-3H"	-3.021828
"1124"	518.291224	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M-2H"	-2.014552
"440563"	777.940474	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M-2H"	-2.014552
"817434"	258.641974	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-2H"	-2.014552
"78845"	1037.589724	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M-H"	-1.007276
"533735"	1556.888224	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M-H"	-1.007276
"911354"	518.291224	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-H"	-1.007276
"62757"	1054.616271	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M-2H+NH4"	16.019271
"502066"	1573.914771	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M-2H+NH4"	16.019271
"879810"	535.317771	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-2H+NH4"	16.019271
"46437"	1059.571666	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M-2H+Na"	20.974666
"487074"	1578.870166	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M-2H+Na"	20.974666
"863677"	540.273166	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-2H+Na"	20.974666
"1632845"	540.273166	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Na-2H"	20.974666
"109498"	536.279563	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M-H+Cl"	33.962126
"543709"	795.928813	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M-H+Cl"	33.962126
"940507"	276.630313	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-H+Cl"	33.962126
"272502"	1073.566402	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+Cl"	34.969402
"673673"	1592.864902	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+Cl"	34.969402
"1285715"	554.267902	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Cl"	34.969402
"24260"	1075.545606	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M-2H+K"	36.948606
"464914"	1594.844106	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M-2H+K"	36.948606
"846000"	556.247106	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-2H+K"	36.948606
"1560737"	556.247106	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+K-2H"	36.948606
"947527"	564.296694	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-H+HCOOH"	44.998194
"366836"	1083.595201	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+HCOOH-H"	44.998201
"350720"	1097.610851	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+Hac-H"	59.013851
"1493839"	578.312351	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Hac-H"	59.013851
"973664"	586.278651	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-H+NaCOOH"	66.980151
"123659"	554.267902	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+2Cl"	69.938804
"561032"	813.917152	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+2Cl"	69.938804
"1032019"	294.618652	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2Cl"	69.938804
"1248315"	598.217385	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Br"	78.918885
"1311860"	600.273372	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Cl+HCOOH"	80.974872
"1333738"	622.255329	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Cl+NaCOOH"	102.956829
"924069"	632.284086	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M-H+CF3COOH"	112.985586
"1300777"	668.260764	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Cl+CF3COOH"	148.962264
"1382219"	484.285824	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H-2H2O"	-35.012676
"1397527"	502.2958	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H-H2O"	-17.0027
"295752"	1039.604276	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+H"	1.007276
"687083"	1558.902776	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+H"	1.007276
"1363433"	520.305776	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H"	1.007276
"135227"	520.305776	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+2H"	2.014552
"571505"	779.955026	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+2H"	2.014552
"1042855"	260.656526	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2H"	2.014552
"215867"	347.206276	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+3H"	3.021828
"655425"	520.305776	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+3H"	3.021828
"1170270"	174.106776	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+3H"	3.021828
"439626"	1056.630823	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+NH4"	18.033823
"801070"	1575.929323	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+NH4"	18.033823
"1695615"	537.332323	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+NH4"	18.033823
"345628"	528.8190495	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+H+NH4"	19.041099
"738015"	788.4682995	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+H+NH4"	19.041099
"1485393"	269.1697995	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H+NH4"	19.041099
"400791"	1061.586218	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+Na"	22.989218
"763973"	1580.884718	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+Na"	22.989218
"1612072"	542.287718	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Na"	22.989218
"329043"	531.296747	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+H+Na"	23.996494
"718918"	790.945997	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+H+Na"	23.996494
"1474921"	271.647497	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H+Na"	23.996494
"1066709"	181.43409	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2H+Na"	25.00377
"1272563"	552.331986	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+CH3OH+H"	33.033486
"389148"	1077.560158	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+K"	38.963158
"750507"	1596.858658	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+K"	38.963158
"1549279"	558.261658	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+K"	38.963158
"302806"	539.283717	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+H+K"	39.970434
"696685"	798.932967	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+H+K"	39.970434
"1449409"	279.634467	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H+K"	39.970434
"238012"	1080.630826	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+ACN+H"	42.033826
"1211934"	561.332326	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+ACN+H"	42.033826
"1194393"	281.169801	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+ACN+2H"	43.041102
"188694"	1083.56816	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+2Na-H"	44.97116
"629015"	1602.86666	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+2Na-H"	44.97116
"1132362"	564.26966	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2Na-H"	44.97116
"174316"	542.287718	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+2Na"	45.978436
"615583"	801.936968	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+2Na"	45.978436
"1131170"	282.638468	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2Na"	45.978436
"1413186"	188.761404	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H+2Na"	46.985712
"1443975"	566.311246	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H+HCOOH"	47.012746
"235132"	547.32074	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+3H2O+2H"	56.04448
"1522950"	580.36329	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+IsoProp+H"	61.06479
"423116"	550.274688	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+Na+K"	61.952376
"784112"	809.923938	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+Na+K"	61.952376
"1677163"	290.625438	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Na+K"	61.952376
"264411"	1102.612768	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+ACN+Na"	64.015768
"1235298"	583.314268	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+ACN+Na"	64.015768
"1724188"	583.337793	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+NH4+HCOOH"	64.039293
"1189176"	196.088718	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+3Na"	68.967654
"1660161"	588.293188	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Na+HCOOH"	68.994688
"159365"	1115.51604	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+2K-H"	76.91904
"601481"	1634.81454	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+2K-H"	76.91904
"1089275"	596.21754	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2K-H"	76.91904
"143905"	558.261658	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"2M+2K"	77.926316
"583464"	817.910908	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"3M+2K"	77.926316
"1078914"	298.612408	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2K"	77.926316
"1107748"	598.232092	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2K+H"	78.933592
"1349118"	598.319707	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+DMSO+H"	79.021207
"1021185"	602.358876	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2ACN+H"	83.060376
"1539183"	603.352508	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+IsoProp+Na+H"	84.054008
"1002710"	301.683076	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+2ACN+2H"	84.067652
"1597213"	604.267128	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+K+HCOOH"	84.968628
"1420686"	634.298638	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+H+CF3COOH"	115.000138
"1156443"	322.196351	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+3ACN+2H"	125.094202
"1708182"	651.325185	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+NH4+CF3COOH"	132.026685
"1648207"	656.28058	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+Na+CF3COOH"	136.98208
"1579482"	672.25452	"C20546"	"Terpendole C"	"C32H41NO5"	"519.2985"	"M+K+CF3COOH"	152.95602
"804379"	619.3509	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M"	0
"976450"	600.33251	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-H2O-H"	-19.01839
"64328"	411.893324	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M-3H"	-3.021828
"504248"	618.343624	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M-3H"	-3.021828
"881330"	205.443024	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-3H"	-3.021828
"750"	618.343624	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M-2H"	-2.014552
"441652"	928.019074	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M-2H"	-2.014552
"817233"	308.668174	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-2H"	-2.014552
"79200"	1237.694524	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M-H"	-1.007276
"534056"	1857.045424	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M-H"	-1.007276
"911090"	618.343624	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-H"	-1.007276
"61520"	1254.721071	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M-2H+NH4"	16.019271
"497311"	1874.071971	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M-2H+NH4"	16.019271
"876939"	635.370171	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-2H+NH4"	16.019271
"47102"	1259.676466	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M-2H+Na"	20.974666
"487097"	1879.027366	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M-2H+Na"	20.974666
"862207"	640.325566	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-2H+Na"	20.974666
"1633198"	640.325566	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Na-2H"	20.974666
"108269"	636.331963	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M-H+Cl"	33.962126
"543817"	946.007413	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M-H+Cl"	33.962126
"941346"	326.656513	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-H+Cl"	33.962126
"273705"	1273.671202	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+Cl"	34.969402
"673783"	1893.022102	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+Cl"	34.969402
"1287769"	654.320302	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Cl"	34.969402
"24370"	1275.650406	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M-2H+K"	36.948606
"467211"	1895.001306	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M-2H+K"	36.948606
"847204"	656.299506	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-2H+K"	36.948606
"1561941"	656.299506	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+K-2H"	36.948606
"950917"	664.349094	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-H+HCOOH"	44.998194
"366946"	1283.700001	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+HCOOH-H"	44.998201
"355203"	1297.715651	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+Hac-H"	59.013851
"1494313"	678.364751	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Hac-H"	59.013851
"973652"	686.331051	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-H+NaCOOH"	66.980151
"125190"	654.320302	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+2Cl"	69.938804
"561142"	963.995752	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+2Cl"	69.938804
"1036670"	344.644852	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2Cl"	69.938804
"1248427"	698.269785	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Br"	78.918885
"1311970"	700.325772	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Cl+HCOOH"	80.974872
"1332753"	722.307729	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Cl+NaCOOH"	102.956829
"925638"	732.336486	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M-H+CF3COOH"	112.985586
"1303438"	768.313164	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Cl+CF3COOH"	148.962264
"1381963"	584.338224	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H-2H2O"	-35.012676
"1397274"	602.3482	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H-H2O"	-17.0027
"295862"	1239.709076	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+H"	1.007276
"686099"	1859.059976	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+H"	1.007276
"1365365"	620.358176	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H"	1.007276
"136430"	620.358176	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+2H"	2.014552
"571979"	930.033626	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+2H"	2.014552
"1040778"	310.682726	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2H"	2.014552
"214884"	413.907876	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+3H"	3.021828
"655535"	620.358176	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+3H"	3.021828
"1171473"	207.457576	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+3H"	3.021828
"439007"	1256.735623	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+NH4"	18.033823
"800735"	1876.086523	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+NH4"	18.033823
"1694996"	637.384723	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+NH4"	18.033823
"345097"	628.8714495	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+H+NH4"	19.041099
"737517"	938.5468995	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+H+NH4"	19.041099
"1489878"	319.1959995	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H+NH4"	19.041099
"404180"	1261.691018	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+Na"	22.989218
"765176"	1881.041918	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+Na"	22.989218
"1612182"	642.340118	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Na"	22.989218
"329401"	631.349147	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+H+Na"	23.996494
"721093"	941.024597	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+H+Na"	23.996494
"1475030"	321.673697	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H+Na"	23.996494
"1062808"	214.78489	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2H+Na"	25.00377
"1271777"	652.384386	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+CH3OH+H"	33.033486
"390717"	1277.664958	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+K"	38.963158
"750617"	1897.015858	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+K"	38.963158
"1548297"	658.314058	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+K"	38.963158
"308752"	639.336117	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+H+K"	39.970434
"697891"	949.011567	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+H+K"	39.970434
"1451710"	329.660667	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H+K"	39.970434
"241405"	1280.735626	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+ACN+H"	42.033826
"1213017"	661.384726	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+ACN+H"	42.033826
"1194829"	331.196001	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+ACN+2H"	43.041102
"190137"	1283.67296	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+2Na-H"	44.97116
"631155"	1903.02386	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+2Na-H"	44.97116
"1134296"	664.32206	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2Na-H"	44.97116
"175763"	642.340118	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+2Na"	45.978436
"616057"	952.015568	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+2Na"	45.978436
"1131126"	332.664668	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2Na"	45.978436
"1413296"	222.112204	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H+2Na"	46.985712
"1445056"	666.363646	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H+HCOOH"	47.012746
"234386"	647.37314	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+3H2O+2H"	56.04448
"1523179"	680.41569	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+IsoProp+H"	61.06479
"422133"	650.327088	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+Na+K"	61.952376
"785073"	960.002538	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+Na+K"	61.952376
"1681288"	340.651638	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Na+K"	61.952376
"265615"	1302.717568	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+ACN+Na"	64.015768
"1237596"	683.366668	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+ACN+Na"	64.015768
"1723934"	683.390193	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+NH4+HCOOH"	64.039293
"1190745"	229.439518	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+3Na"	68.967654
"1659542"	688.345588	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Na+HCOOH"	68.994688
"163124"	1315.62084	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+2K-H"	76.91904
"605966"	1934.97174	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+2K-H"	76.91904
"1092666"	696.26994	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2K-H"	76.91904
"146201"	658.314058	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"2M+2K"	77.926316
"584667"	967.989508	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"3M+2K"	77.926316
"1076838"	348.638608	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2K"	77.926316
"1104578"	698.284492	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2K+H"	78.933592
"1347527"	698.372107	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+DMSO+H"	79.021207
"1020931"	702.411276	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2ACN+H"	83.060376
"1539826"	703.404908	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+IsoProp+Na+H"	84.054008
"1003792"	351.709276	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+2ACN+2H"	84.067652
"1599512"	704.319528	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+K+HCOOH"	84.968628
"1425171"	734.351038	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+H+CF3COOH"	115.000138
"1159834"	372.222551	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+3ACN+2H"	125.094202
"1708293"	751.377585	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+NH4+CF3COOH"	132.026685
"1647223"	756.33298	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+Na+CF3COOH"	136.98208
"1579592"	772.30692	"C20548"	"Lolitriol"	"C37H49NO7"	"619.3509"	"M+K+CF3COOH"	152.95602
"801473"	661.3615	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M"	0
"975102"	642.34311	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-H2O-H"	-19.01839
"64074"	439.900390666667	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M-3H"	-3.021828
"503036"	660.354224	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M-3H"	-3.021828
"881440"	219.446557333333	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-3H"	-3.021828
"377"	660.354224	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M-2H"	-2.014552
"440134"	991.034974	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M-2H"	-2.014552
"817168"	329.673474	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-2H"	-2.014552
"78633"	1321.715724	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M-H"	-1.007276
"534126"	1983.077224	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M-H"	-1.007276
"911159"	660.354224	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-H"	-1.007276
"61388"	1338.742271	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M-2H+NH4"	16.019271
"497057"	2000.103771	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M-2H+NH4"	16.019271
"871942"	677.380771	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-2H+NH4"	16.019271
"47025"	1343.697666	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M-2H+Na"	20.974666
"486965"	2005.059166	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M-2H+Na"	20.974666
"861222"	682.336166	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-2H+Na"	20.974666
"1630392"	682.336166	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Na-2H"	20.974666
"105464"	678.342563	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M-H+Cl"	33.962126
"541741"	1009.023313	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M-H+Cl"	33.962126
"938541"	347.661813	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-H+Cl"	33.962126
"270535"	1357.692402	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+Cl"	34.969402
"673893"	2019.053902	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+Cl"	34.969402
"1287759"	696.330902	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Cl"	34.969402
"24480"	1359.671606	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M-2H+K"	36.948606
"465134"	2021.033106	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M-2H+K"	36.948606
"846221"	698.310106	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-2H+K"	36.948606
"1563144"	698.310106	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+K-2H"	36.948606
"951027"	706.359694	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-H+HCOOH"	44.998194
"367056"	1367.721201	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+HCOOH-H"	44.998201
"355313"	1381.736851	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+Hac-H"	59.013851
"1496491"	720.375351	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Hac-H"	59.013851
"973032"	728.341651	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-H+NaCOOH"	66.980151
"122787"	696.330902	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+2Cl"	69.938804
"561252"	1027.011652	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+2Cl"	69.938804
"1036615"	365.650152	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2Cl"	69.938804
"1248537"	740.280385	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Br"	78.918885
"1306612"	742.336372	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Cl+HCOOH"	80.974872
"1333593"	764.318329	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Cl+NaCOOH"	102.956829
"924287"	774.347086	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M-H+CF3COOH"	112.985586
"1302088"	810.323764	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Cl+CF3COOH"	148.962264
"1380614"	626.348824	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H-2H2O"	-35.012676
"1397019"	644.3588	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H-H2O"	-17.0027
"293784"	1323.730276	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+H"	1.007276
"687303"	1985.091776	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+H"	1.007276
"1365475"	662.368776	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H"	1.007276
"136540"	662.368776	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+2H"	2.014552
"573912"	993.049526	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+2H"	2.014552
"1039063"	331.688026	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2H"	2.014552
"217180"	441.914942666667	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+3H"	3.021828
"656738"	662.368776	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+3H"	3.021828
"1172676"	221.461109333333	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+3H"	3.021828
"438754"	1340.756823	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+NH4"	18.033823
"801088"	2002.118323	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+NH4"	18.033823
"1695108"	679.395323	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+NH4"	18.033823
"344844"	670.8820495	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+H+NH4"	19.041099
"737142"	1001.5627995	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+H+NH4"	19.041099
"1489624"	340.2012995	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H+NH4"	19.041099
"405383"	1345.712218	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+Na"	22.989218
"766379"	2007.073718	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+Na"	22.989218
"1613385"	684.350718	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Na"	22.989218
"327809"	673.359747	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+H+Na"	23.996494
"720231"	1004.040497	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+H+Na"	23.996494
"1475140"	342.678997	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H+Na"	23.996494
"1064011"	228.788423333333	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2H+Na"	25.00377
"1270794"	694.394986	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+CH3OH+H"	33.033486
"390827"	1361.686158	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+K"	38.963158
"748540"	2023.047658	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+K"	38.963158
"1545127"	700.324658	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+K"	38.963158
"302302"	681.346717	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+H+K"	39.970434
"698001"	1012.027467	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+H+K"	39.970434
"1450727"	350.665967	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H+K"	39.970434
"240421"	1364.756826	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+ACN+H"	42.033826
"1212033"	703.395326	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+ACN+H"	42.033826
"1194451"	352.201301	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+ACN+2H"	43.041102
"190247"	1367.69416	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+2Na-H"	44.97116
"630172"	2029.05566	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+2Na-H"	44.97116
"1131857"	706.33266	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2Na-H"	44.97116
"174051"	684.350718	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+2Na"	45.978436
"615803"	1015.031468	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+2Na"	45.978436
"1126967"	353.669968	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2Na"	45.978436
"1413406"	236.115737333333	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H+2Na"	46.985712
"1442975"	708.374246	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H+HCOOH"	47.012746
"232305"	689.38374	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+3H2O+2H"	56.04448
"1522554"	722.42629	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+IsoProp+H"	61.06479
"422241"	692.337688	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+Na+K"	61.952376
"783236"	1023.018438	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+Na+K"	61.952376
"1678473"	361.656938	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Na+K"	61.952376
"263538"	1386.738768	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+ACN+Na"	64.015768
"1239528"	725.377268	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+ACN+Na"	64.015768
"1723315"	725.400793	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+NH4+HCOOH"	64.039293
"1190490"	243.443051333333	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+3Na"	68.967654
"1661475"	730.356188	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Na+HCOOH"	68.994688
"163234"	1399.64204	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+2K-H"	76.91904
"606076"	2061.00354	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+2K-H"	76.91904
"1092776"	738.28054	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2K-H"	76.91904
"145218"	700.324658	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"2M+2K"	77.926316
"584777"	1031.005408	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"3M+2K"	77.926316
"1078041"	369.643908	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2K"	77.926316
"1104688"	740.295092	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2K+H"	78.933592
"1348730"	740.382707	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+DMSO+H"	79.021207
"1021164"	744.421876	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2ACN+H"	83.060376
"1539845"	745.415508	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+IsoProp+Na+H"	84.054008
"1000744"	372.714576	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+2ACN+2H"	84.067652
"1598529"	746.330128	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+K+HCOOH"	84.968628
"1425281"	776.361638	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+H+CF3COOH"	115.000138
"1161037"	393.227851	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+3ACN+2H"	125.094202
"1708402"	793.388185	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+NH4+CF3COOH"	132.026685
"1647333"	798.34358	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+Na+CF3COOH"	136.98208
"1579702"	814.31752	"C20549"	"Lolitrem J"	"C39H51NO8"	"661.3615"	"M+K+CF3COOH"	152.95602
"804599"	687.4135	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M"	0
"975941"	668.39511	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-H2O-H"	-19.01839
"66371"	457.268390666667	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M-3H"	-3.021828
"504836"	686.406224	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M-3H"	-3.021828
"885924"	228.130557333333	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-3H"	-3.021828
"3403"	686.406224	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M-2H"	-2.014552
"440650"	1030.112974	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M-2H"	-2.014552
"821860"	342.699474	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-2H"	-2.014552
"79664"	1373.819724	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M-H"	-1.007276
"533947"	2061.233224	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M-H"	-1.007276
"911343"	686.406224	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-H"	-1.007276
"61741"	1390.846271	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M-2H+NH4"	16.019271
"496438"	2078.259771	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M-2H+NH4"	16.019271
"872052"	703.432771	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-2H+NH4"	16.019271
"46530"	1395.801666	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M-2H+Na"	20.974666
"486572"	2083.215166	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M-2H+Na"	20.974666
"861333"	708.388166	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-2H+Na"	20.974666
"1629043"	708.388166	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Na-2H"	20.974666
"106667"	704.394563	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M-H+Cl"	33.962126
"538572"	1048.101313	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M-H+Cl"	33.962126
"937557"	360.687813	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-H+Cl"	33.962126
"269551"	1409.796402	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+Cl"	34.969402
"670723"	2097.209902	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+Cl"	34.969402
"1286897"	722.382902	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Cl"	34.969402
"24590"	1411.775606	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M-2H+K"	36.948606
"465244"	2099.189106	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M-2H+K"	36.948606
"845234"	724.362106	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-2H+K"	36.948606
"1563254"	724.362106	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+K-2H"	36.948606
"944940"	732.411694	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-H+HCOOH"	44.998194
"367166"	1419.825201	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+HCOOH-H"	44.998201
"354330"	1433.840851	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+Hac-H"	59.013851
"1496601"	746.427351	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Hac-H"	59.013851
"971805"	754.393651	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-H+NaCOOH"	66.980151
"121802"	722.382902	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+2Cl"	69.938804
"562455"	1066.089652	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+2Cl"	69.938804
"1034537"	378.676152	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2Cl"	69.938804
"1245367"	766.332385	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Br"	78.918885
"1306722"	768.388372	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Cl+HCOOH"	80.974872
"1334065"	790.370329	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Cl+NaCOOH"	102.956829
"924397"	800.399086	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M-H+CF3COOH"	112.985586
"1301468"	836.375764	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Cl+CF3COOH"	148.962264
"1380725"	652.400824	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H-2H2O"	-35.012676
"1397250"	670.4108	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H-H2O"	-17.0027
"292801"	1375.834276	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+H"	1.007276
"688143"	2063.247776	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+H"	1.007276
"1365585"	688.420776	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H"	1.007276
"137744"	688.420776	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+2H"	2.014552
"574022"	1032.127526	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+2H"	2.014552
"1038809"	344.714026	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2H"	2.014552
"214006"	459.282942666667	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+3H"	3.021828
"657941"	688.420776	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+3H"	3.021828
"1172786"	230.145109333333	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+3H"	3.021828
"438615"	1392.860823	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+NH4"	18.033823
"799251"	2080.274323	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+NH4"	18.033823
"1695946"	705.447323	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+NH4"	18.033823
"343130"	696.9340495	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+H+NH4"	19.041099
"736645"	1040.6407995	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+H+NH4"	19.041099
"1486818"	353.2272995	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H+NH4"	19.041099
"404037"	1397.816218	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+Na"	22.989218
"766489"	2085.229718	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+Na"	22.989218
"1615318"	710.402718	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Na"	22.989218
"326827"	699.411747	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+H+Na"	23.996494
"719249"	1043.118497	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+H+Na"	23.996494
"1475251"	355.704997	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H+Na"	23.996494
"1065216"	237.472423333333	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2H+Na"	25.00377
"1271632"	720.446986	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+CH3OH+H"	33.033486
"389844"	1413.790158	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+K"	38.963158
"750839"	2101.203658	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+K"	38.963158
"1548517"	726.376658	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+K"	38.963158
"305692"	707.398717	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+H+K"	39.970434
"697018"	1051.105467	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+H+K"	39.970434
"1453024"	363.691967	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H+K"	39.970434
"240531"	1416.860826	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+ACN+H"	42.033826
"1212143"	729.447326	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+ACN+H"	42.033826
"1195662"	365.227301	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+ACN+2H"	43.041102
"190114"	1419.79816	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+2Na-H"	44.97116
"630648"	2107.21166	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+2Na-H"	44.97116
"1134155"	732.38466	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2Na-H"	44.97116
"174892"	710.402718	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+2Na"	45.978436
"615913"	1054.109468	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+2Na"	45.978436
"1127077"	366.695968	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2Na"	45.978436
"1411696"	244.799737333333	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H+2Na"	46.985712
"1441629"	734.426246	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H+HCOOH"	47.012746
"232418"	715.43574	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+3H2O+2H"	56.04448
"1520481"	748.47829	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+IsoProp+H"	61.06479
"420530"	718.389688	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+Na+K"	61.952376
"782621"	1062.096438	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+Na+K"	61.952376
"1677491"	374.682938	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Na+K"	61.952376
"264378"	1438.842768	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+ACN+Na"	64.015768
"1240736"	751.429268	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+ACN+Na"	64.015768
"1724520"	751.452793	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+NH4+HCOOH"	64.039293
"1189874"	252.127051333333	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+3Na"	68.967654
"1664505"	756.408188	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Na+HCOOH"	68.994688
"165895"	1451.74604	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+2K-H"	76.91904
"605458"	2139.15954	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+2K-H"	76.91904
"1089604"	764.33254	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2K-H"	76.91904
"149701"	726.376658	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"2M+2K"	77.926316
"585979"	1070.083408	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"3M+2K"	77.926316
"1071589"	382.669908	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2K"	77.926316
"1104798"	766.347092	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2K+H"	78.933592
"1344466"	766.434707	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+DMSO+H"	79.021207
"1021151"	770.473876	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2ACN+H"	83.060376
"1539513"	771.467508	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+IsoProp+Na+H"	84.054008
"1000854"	385.740576	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+2ACN+2H"	84.067652
"1598639"	772.382128	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+K+HCOOH"	84.968628
"1424298"	802.413638	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+H+CF3COOH"	115.000138
"1156773"	406.253851	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+3ACN+2H"	125.094202
"1706325"	819.440185	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+NH4+CF3COOH"	132.026685
"1646350"	824.39558	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+Na+CF3COOH"	136.98208
"1579812"	840.36952	"C20550"	"Lolitrem E"	"C42H57NO7"	"687.4135"	"M+K+CF3COOH"	152.95602
"802275"	685.3979	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M"	0
"974791"	666.37951	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-H2O-H"	-19.01839
"63684"	455.924657333333	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M-3H"	-3.021828
"503971"	684.390624	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M-3H"	-3.021828
"886033"	227.458690666667	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-3H"	-3.021828
"2420"	684.390624	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M-2H"	-2.014552
"440761"	1027.089574	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M-2H"	-2.014552
"818690"	341.691674	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-2H"	-2.014552
"79161"	1369.788524	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M-H"	-1.007276
"534234"	2055.186424	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M-H"	-1.007276
"910893"	684.390624	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-H"	-1.007276
"60879"	1386.815071	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M-2H+NH4"	16.019271
"497641"	2072.212971	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M-2H+NH4"	16.019271
"874348"	701.417171	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-2H+NH4"	16.019271
"46720"	1391.770466	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M-2H+Na"	20.974666
"486440"	2077.168366	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M-2H+Na"	20.974666
"861445"	706.372566	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-2H+Na"	20.974666
"1631340"	706.372566	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Na-2H"	20.974666
"107143"	702.378963	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M-H+Cl"	33.962126
"540869"	1045.077913	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M-H+Cl"	33.962126
"935481"	359.680013	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-H+Cl"	33.962126
"267960"	1405.765202	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+Cl"	34.969402
"667552"	2091.163102	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+Cl"	34.969402
"1287130"	720.367302	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Cl"	34.969402
"26887"	1407.744406	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M-2H+K"	36.948606
"465354"	2093.142306	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M-2H+K"	36.948606
"846437"	722.346506	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-2H+K"	36.948606
"1563364"	722.346506	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+K-2H"	36.948606
"944686"	730.396094	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-H+HCOOH"	44.998194
"367276"	1415.794001	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+HCOOH-H"	44.998201
"354440"	1429.809651	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+Hac-H"	59.013851
"1496711"	744.411751	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Hac-H"	59.013851
"972642"	752.378051	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-H+NaCOOH"	66.980151
"121913"	720.367302	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+2Cl"	69.938804
"561472"	1063.066252	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+2Cl"	69.938804
"1033919"	377.668352	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2Cl"	69.938804
"1245477"	764.316785	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Br"	78.918885
"1304846"	766.372772	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Cl+HCOOH"	80.974872
"1333814"	788.354729	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Cl+NaCOOH"	102.956829
"923049"	798.383486	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M-H+CF3COOH"	112.985586
"1298298"	834.360164	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Cl+CF3COOH"	148.962264
"1380834"	650.385224	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H-2H2O"	-35.012676
"1396144"	668.3952	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H-H2O"	-17.0027
"292911"	1371.803076	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+H"	1.007276
"686063"	2057.200976	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+H"	1.007276
"1358402"	686.405176	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H"	1.007276
"132385"	686.405176	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+2H"	2.014552
"567934"	1029.104126	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+2H"	2.014552
"1038066"	343.706226	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2H"	2.014552
"214116"	457.939209333333	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+3H"	3.021828
"649302"	686.405176	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+3H"	3.021828
"1171803"	229.473242666667	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+3H"	3.021828
"439214"	1388.829623	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+NH4"	18.033823
"800087"	2074.227523	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+NH4"	18.033823
"1694964"	703.431723	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+NH4"	18.033823
"343972"	694.9184495	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+H+NH4"	19.041099
"736391"	1037.6173995	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+H+NH4"	19.041099
"1490573"	352.2194995	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H+NH4"	19.041099
"404876"	1393.785018	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+Na"	22.989218
"766599"	2079.182918	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+Na"	22.989218
"1616157"	708.387118	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Na"	22.989218
"329372"	697.396147	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+H+Na"	23.996494
"720211"	1040.095097	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+H+Na"	23.996494
"1475366"	354.697197	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H+Na"	23.996494
"1066421"	236.800556666667	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2H+Na"	25.00377
"1272114"	718.431386	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+CH3OH+H"	33.033486
"392389"	1409.758958	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+K"	38.963158
"753260"	2095.156858	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+K"	38.963158
"1553976"	724.361058	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+K"	38.963158
"307989"	705.383117	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+H+K"	39.970434
"700408"	1048.082067	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+H+K"	39.970434
"1452041"	362.684167	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H+K"	39.970434
"240641"	1412.829626	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+ACN+H"	42.033826
"1211158"	727.431726	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+ACN+H"	42.033826
"1196864"	364.219501	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+ACN+2H"	43.041102
"190831"	1415.76696	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+2Na-H"	44.97116
"631123"	2101.16486	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+2Na-H"	44.97116
"1133536"	730.36906	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2Na-H"	44.97116
"176095"	708.387118	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+2Na"	45.978436
"614930"	1051.086068	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+2Na"	45.978436
"1127187"	365.688168	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2Na"	45.978436
"1411078"	244.127870666667	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H+2Na"	46.985712
"1440646"	732.410646	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H+HCOOH"	47.012746
"231435"	713.42014	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+3H2O+2H"	56.04448
"1520591"	746.46269	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+IsoProp+H"	61.06479
"421006"	716.374088	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+Na+K"	61.952376
"783824"	1059.073038	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+Na+K"	61.952376
"1676873"	373.675138	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Na+K"	61.952376
"262666"	1434.811568	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+ACN+Na"	64.015768
"1240724"	749.413668	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+ACN+Na"	64.015768
"1725356"	749.437193	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+NH4+HCOOH"	64.039293
"1192778"	251.455184666667	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+3Na"	68.967654
"1664373"	754.392588	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Na+HCOOH"	68.994688
"164548"	1447.71484	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+2K-H"	76.91904
"605568"	2133.11274	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+2K-H"	76.91904
"1092267"	762.31694	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2K-H"	76.91904
"148718"	724.361058	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"2M+2K"	77.926316
"584023"	1067.060008	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"3M+2K"	77.926316
"1076802"	381.662108	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2K"	77.926316
"1104908"	764.331492	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2K+H"	78.933592
"1341296"	764.419107	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+DMSO+H"	79.021207
"1021344"	768.458276	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2ACN+H"	83.060376
"1539626"	769.451908	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+IsoProp+Na+H"	84.054008
"1000964"	384.732776	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+2ACN+2H"	84.067652
"1595469"	770.366528	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+K+HCOOH"	84.968628
"1421128"	800.398038	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+H+CF3COOH"	115.000138
"1155790"	405.246051	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+3ACN+2H"	125.094202
"1706435"	817.424585	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+NH4+CF3COOH"	132.026685
"1647554"	822.37998	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+Na+CF3COOH"	136.98208
"1579922"	838.35392	"C20551"	"Lolitrem B"	"C42H55NO7"	"685.3979"	"M+K+CF3COOH"	152.95602
"807006"	517.2828	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M"	0
"979442"	498.26441	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-H2O-H"	-19.01839
"67683"	343.847924	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M-3H"	-3.021828
"508338"	516.275524	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M-3H"	-3.021828
"882864"	171.420324	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-3H"	-3.021828
"3623"	516.275524	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M-2H"	-2.014552
"444278"	774.916924	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M-2H"	-2.014552
"824267"	257.634124	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-2H"	-2.014552
"86444"	1033.558324	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M-H"	-1.007276
"533764"	1550.841124	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M-H"	-1.007276
"910993"	516.275524	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-H"	-1.007276
"61846"	1050.584871	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M-2H+NH4"	16.019271
"501032"	1567.867671	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M-2H+NH4"	16.019271
"874459"	533.302071	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-2H+NH4"	16.019271
"45420"	1055.540266	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M-2H+Na"	20.974666
"486435"	1572.823066	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M-2H+Na"	20.974666
"863949"	538.257466	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-2H+Na"	20.974666
"1632545"	538.257466	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Na-2H"	20.974666
"107983"	534.263863	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M-H+Cl"	33.962126
"547541"	792.905263	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M-H+Cl"	33.962126
"939600"	275.622463	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-H+Cl"	33.962126
"268800"	1069.535002	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+Cl"	34.969402
"667662"	1586.817802	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+Cl"	34.969402
"1285535"	552.252202	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Cl"	34.969402
"24810"	1071.514206	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M-2H+K"	36.948606
"464371"	1588.797006	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M-2H+K"	36.948606
"846185"	554.231406	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-2H+K"	36.948606
"1565661"	554.231406	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+K-2H"	36.948606
"944796"	562.280994	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-H+HCOOH"	44.998194
"367386"	1079.563801	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+HCOOH-H"	44.998201
"354550"	1093.579451	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+Hac-H"	59.013851
"1496821"	576.296651	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Hac-H"	59.013851
"972759"	584.262951	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-H+NaCOOH"	66.980151
"125148"	552.252202	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+2Cl"	69.938804
"560488"	810.893602	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+2Cl"	69.938804
"1028195"	293.610802	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2Cl"	69.938804
"1249961"	596.201685	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Br"	78.918885
"1304868"	598.257672	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Cl+HCOOH"	80.974872
"1328813"	620.239629	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Cl+NaCOOH"	102.956829
"924980"	630.268386	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M-H+CF3COOH"	112.985586
"1301690"	666.245064	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Cl+CF3COOH"	148.962264
"1380827"	482.270124	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H-2H2O"	-35.012676
"1396981"	500.2801	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H-H2O"	-17.0027
"291928"	1035.572876	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+H"	1.007276
"689824"	1552.855676	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+H"	1.007276
"1360698"	518.290076	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H"	1.007276
"138692"	518.290076	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+2H"	2.014552
"570232"	776.931476	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+2H"	2.014552
"1040489"	259.648676	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2H"	2.014552
"217871"	345.862476	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+3H"	3.021828
"650505"	518.290076	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+3H"	3.021828
"1178377"	173.434876	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+3H"	3.021828
"434091"	1052.599423	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+NH4"	18.033823
"800850"	1569.882223	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+NH4"	18.033823
"1695436"	535.316623	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+NH4"	18.033823
"344693"	526.8033495	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+H+NH4"	19.041099
"736136"	785.4447495	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+H+NH4"	19.041099
"1492384"	268.1619495	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H+NH4"	19.041099
"407536"	1057.554818	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+Na"	22.989218
"763428"	1574.837618	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+Na"	22.989218
"1612620"	540.272018	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Na"	22.989218
"329112"	529.281047	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+H+Na"	23.996494
"720441"	787.922447	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+H+Na"	23.996494
"1476406"	270.639647	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H+Na"	23.996494
"1067465"	180.76219	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2H+Na"	25.00377
"1271850"	550.316286	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+CH3OH+H"	33.033486
"391517"	1073.528758	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+K"	38.963158
"752152"	1590.811558	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+K"	38.963158
"1550924"	556.245958	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+K"	38.963158
"305912"	537.268017	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+H+K"	39.970434
"697237"	795.909417	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+H+K"	39.970434
"1451057"	278.626617	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H+K"	39.970434
"238198"	1076.599426	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+ACN+H"	42.033826
"1212364"	559.316626	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+ACN+H"	42.033826
"1196247"	280.161951	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+ACN+2H"	43.041102
"190208"	1079.53676	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+2Na-H"	44.97116
"631591"	1596.81956	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+2Na-H"	44.97116
"1134004"	562.25396	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2Na-H"	44.97116
"176203"	540.272018	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+2Na"	45.978436
"621601"	798.913418	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+2Na"	45.978436
"1129491"	281.630618	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2Na"	45.978436
"1412281"	188.089504	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H+2Na"	46.985712
"1444404"	564.295546	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H+HCOOH"	47.012746
"233004"	545.30504	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+3H2O+2H"	56.04448
"1521796"	578.34759	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+IsoProp+H"	61.06479
"421846"	548.258988	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+Na+K"	61.952376
"783934"	806.900388	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+Na+K"	61.952376
"1677347"	289.617588	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Na+K"	61.952376
"264599"	1098.581368	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+ACN+Na"	64.015768
"1239745"	581.298568	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+ACN+Na"	64.015768
"1727535"	581.322093	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+NH4+HCOOH"	64.039293
"1193741"	195.416818	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+3Na"	68.967654
"1665417"	586.277488	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Na+HCOOH"	68.994688
"171222"	1111.48464	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+2K-H"	76.91904
"610783"	1628.76744	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+2K-H"	76.91904
"1092378"	594.20184	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2K-H"	76.91904
"150287"	556.245958	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"2M+2K"	77.926316
"584012"	814.887358	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"3M+2K"	77.926316
"1079099"	297.604558	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2K"	77.926316
"1108298"	596.216392	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2K+H"	78.933592
"1342499"	596.304007	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+DMSO+H"	79.021207
"1020889"	600.343176	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2ACN+H"	83.060376
"1539006"	601.336808	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+IsoProp+Na+H"	84.054008
"1004234"	300.675226	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+2ACN+2H"	84.067652
"1599953"	602.251428	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+K+HCOOH"	84.968628
"1424519"	632.282938	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+H+CF3COOH"	115.000138
"1155900"	321.188501	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+3ACN+2H"	125.094202
"1706545"	649.309485	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+NH4+CF3COOH"	132.026685
"1644382"	654.26488	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+Na+CF3COOH"	136.98208
"1580032"	670.23882	"C20552"	"Terpendole K"	"C32H39NO5"	"517.2828"	"M+K+CF3COOH"	152.95602
"807117"	417.2304	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M"	0
"974259"	398.21201	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-H2O-H"	-19.01839
"63782"	277.146324	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M-3H"	-3.021828
"507357"	416.223124	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M-3H"	-3.021828
"882974"	138.069524	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-3H"	-3.021828
"2641"	416.223124	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M-2H"	-2.014552
"446576"	624.838324	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M-2H"	-2.014552
"821096"	207.607924	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-2H"	-2.014552
"83273"	833.453524	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M-H"	-1.007276
"531594"	1250.683924	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M-H"	-1.007276
"910980"	416.223124	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-H"	-1.007276
"60488"	850.480071	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M-2H+NH4"	16.019271
"500048"	1267.710471	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M-2H+NH4"	16.019271
"875299"	433.249671	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-2H+NH4"	16.019271
"46828"	855.435466	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M-2H+Na"	20.974666
"486993"	1272.665866	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M-2H+Na"	20.974666
"862880"	438.205066	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-2H+Na"	20.974666
"1632534"	438.205066	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Na-2H"	20.974666
"102620"	434.211463	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M-H+Cl"	33.962126
"543276"	642.826663	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M-H+Cl"	33.962126
"937888"	225.596263	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-H+Cl"	33.962126
"268789"	869.430202	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+Cl"	34.969402
"664490"	1286.660602	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+Cl"	34.969402
"1283457"	452.199802	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Cl"	34.969402
"24920"	871.409406	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M-2H+K"	36.948606
"464481"	1288.639806	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M-2H+K"	36.948606
"834019"	454.179006	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-2H+K"	36.948606
"1564678"	454.179006	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+K-2H"	36.948606
"944906"	462.228594	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-H+HCOOH"	44.998194
"366403"	879.459001	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+HCOOH-H"	44.998201
"354660"	893.474651	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+Hac-H"	59.013851
"1496931"	476.244251	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Hac-H"	59.013851
"973836"	484.210551	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-H+NaCOOH"	66.980151
"125054"	452.199802	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+2Cl"	69.938804
"561691"	660.815002	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+2Cl"	69.938804
"1028305"	243.584602	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2Cl"	69.938804
"1247884"	496.149285	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Br"	78.918885
"1305343"	498.205272	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Cl+HCOOH"	80.974872
"1326736"	520.187229	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Cl+NaCOOH"	102.956829
"923634"	530.215986	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M-H+CF3COOH"	112.985586
"1302408"	566.192664	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Cl+CF3COOH"	148.962264
"1380693"	382.217724	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H-2H2O"	-35.012676
"1396364"	400.2277	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H-H2O"	-17.0027
"293131"	835.468076	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+H"	1.007276
"691325"	1252.698476	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+H"	1.007276
"1360808"	418.237676	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H"	1.007276
"135886"	418.237676	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+2H"	2.014552
"571071"	626.852876	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+2H"	2.014552
"1041328"	209.622476	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2H"	2.014552
"215430"	279.160876	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+3H"	3.021828
"650615"	418.237676	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+3H"	3.021828
"1178388"	140.084076	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+3H"	3.021828
"433108"	852.494623	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+NH4"	18.033823
"799949"	1269.725023	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+NH4"	18.033823
"1694089"	435.264223	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+NH4"	18.033823
"343461"	426.7509495	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+H+NH4"	19.041099
"737339"	635.3661495	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+H+NH4"	19.041099
"1491155"	218.1357495	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H+NH4"	19.041099
"406553"	857.450018	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+Na"	22.989218
"763538"	1274.680418	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+Na"	22.989218
"1612730"	440.219618	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Na"	22.989218
"329583"	429.228647	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+H+Na"	23.996494
"719579"	637.843847	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+H+Na"	23.996494
"1476553"	220.613447	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H+Na"	23.996494
"1067734"	147.41139	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2H+Na"	25.00377
"1272203"	450.263886	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+CH3OH+H"	33.033486
"389075"	873.423958	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+K"	38.963158
"752627"	1290.654358	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+K"	38.963158
"1555042"	456.193558	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+K"	38.963158
"308208"	437.215617	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+H+K"	39.970434
"696254"	645.830817	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+H+K"	39.970434
"1448981"	228.600417	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H+K"	39.970434
"238308"	876.494626	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+ACN+H"	42.033826
"1211500"	459.264226	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+ACN+H"	42.033826
"1196721"	230.135751	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+ACN+2H"	43.041102
"191776"	879.43196	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+2Na-H"	44.97116
"632431"	1296.66236	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+2Na-H"	44.97116
"1134479"	462.20156	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2Na-H"	44.97116
"176311"	440.219618	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+2Na"	45.978436
"621711"	648.834818	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+2Na"	45.978436
"1129233"	231.604418	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2Na"	45.978436
"1409836"	154.738704	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H+2Na"	46.985712
"1441958"	464.243146	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H+HCOOH"	47.012746
"232747"	445.25264	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+3H2O+2H"	56.04448
"1519713"	478.29519	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+IsoProp+H"	61.06479
"421222"	448.206588	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+Na+K"	61.952376
"783312"	656.821788	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+Na+K"	61.952376
"1676726"	239.591388	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Na+K"	61.952376
"264343"	898.476568	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+ACN+Na"	64.015768
"1239970"	481.246168	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+ACN+Na"	64.015768
"1727159"	481.269693	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+NH4+HCOOH"	64.039293
"1193484"	162.066018	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+3Na"	68.967654
"1665201"	486.225088	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Na+HCOOH"	68.994688
"172059"	911.37984	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+2K-H"	76.91904
"608701"	1328.61024	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+2K-H"	76.91904
"1091027"	494.14944	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2K-H"	76.91904
"144562"	456.193558	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"2M+2K"	77.926316
"583028"	664.808758	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"3M+2K"	77.926316
"1079573"	247.578358	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2K"	77.926316
"1108408"	496.163992	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2K+H"	78.933592
"1345889"	496.251607	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+DMSO+H"	79.021207
"1021083"	500.290776	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2ACN+H"	83.060376
"1539358"	501.284408	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+IsoProp+Na+H"	84.054008
"1003372"	250.649026	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+2ACN+2H"	84.067652
"1598969"	502.199028	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+K+HCOOH"	84.968628
"1421348"	532.230538	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+H+CF3COOH"	115.000138
"1156010"	271.162301	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+3ACN+2H"	125.094202
"1707747"	549.257085	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+NH4+CF3COOH"	132.026685
"1644492"	554.21248	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+Na+CF3COOH"	136.98208
"1580142"	570.18642	"C20553"	"Paspalicine"	"C27H31NO3"	"417.2304"	"M+K+CF3COOH"	152.95602
"807227"	433.2253	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M"	0
"978572"	414.20691	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-H2O-H"	-19.01839
"64261"	287.809590666667	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M-3H"	-3.021828
"507467"	432.218024	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M-3H"	-3.021828
"885272"	143.401157333333	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-3H"	-3.021828
"2751"	432.218024	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M-2H"	-2.014552
"446686"	648.830674	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M-2H"	-2.014552
"821206"	215.605374	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-2H"	-2.014552
"83383"	865.443324	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M-H"	-1.007276
"533163"	1298.668624	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M-H"	-1.007276
"911342"	432.218024	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-H"	-1.007276
"61571"	882.469871	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M-2H+NH4"	16.019271
"501866"	1315.695171	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M-2H+NH4"	16.019271
"878939"	449.244571	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-2H+NH4"	16.019271
"45880"	887.425266	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M-2H+Na"	20.974666
"486697"	1320.650566	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M-2H+Na"	20.974666
"861775"	454.199966	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-2H+Na"	20.974666
"1632402"	454.199966	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Na-2H"	20.974666
"103826"	450.206363	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M-H+Cl"	33.962126
"544477"	666.819013	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M-H+Cl"	33.962126
"933622"	233.593713	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-H+Cl"	33.962126
"267927"	901.420002	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+Cl"	34.969402
"661441"	1334.645302	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+Cl"	34.969402
"1274818"	468.194702	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Cl"	34.969402
"25030"	903.399206	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M-2H+K"	36.948606
"465684"	1336.624506	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M-2H+K"	36.948606
"834737"	470.173906	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-2H+K"	36.948606
"1564788"	470.173906	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+K-2H"	36.948606
"945016"	478.223494	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-H+HCOOH"	44.998194
"367606"	911.448801	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+HCOOH-H"	44.998201
"355863"	925.464451	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+Hac-H"	59.013851
"1498134"	492.239151	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Hac-H"	59.013851
"973869"	500.205451	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-H+NaCOOH"	66.980151
"124310"	468.194702	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+2Cl"	69.938804
"561801"	684.807352	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+2Cl"	69.938804
"1031695"	251.582052	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2Cl"	69.938804
"1249087"	512.144185	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Br"	78.918885
"1304484"	514.200172	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Cl+HCOOH"	80.974872
"1325752"	536.182129	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Cl+NaCOOH"	102.956829
"919000"	546.210886	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M-H+CF3COOH"	112.985586
"1301910"	582.187564	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Cl+CF3COOH"	148.962264
"1381535"	398.212624	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H-2H2O"	-35.012676
"1396838"	416.2226	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H-H2O"	-17.0027
"296160"	867.457876	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+H"	1.007276
"690407"	1300.683176	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+H"	1.007276
"1360918"	434.232576	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H"	1.007276
"137820"	434.232576	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+2H"	2.014552
"571181"	650.845226	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+2H"	2.014552
"1042168"	217.619926	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2H"	2.014552
"206787"	289.824142666667	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+3H"	3.021828
"647806"	434.232576	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+3H"	3.021828
"1165564"	145.415709333333	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+3H"	3.021828
"433218"	884.484423	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+NH4"	18.033823
"800054"	1317.709723	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+NH4"	18.033823
"1695773"	451.259123	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+NH4"	18.033823
"343572"	442.7458495	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+H+NH4"	19.041099
"737449"	659.3584995	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+H+NH4"	19.041099
"1489442"	226.1331995	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H+NH4"	19.041099
"403747"	889.439818	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+Na"	22.989218
"762555"	1322.665118	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+Na"	22.989218
"1612840"	456.214518	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Na"	22.989218
"328724"	445.223547	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+H+Na"	23.996494
"719688"	661.836197	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+H+Na"	23.996494
"1474237"	228.610897	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H+Na"	23.996494
"1068130"	152.743023333333	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2H+Na"	25.00377
"1271955"	466.258786	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+CH3OH+H"	33.033486
"390281"	905.413758	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+K"	38.963158
"752374"	1338.639058	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+K"	38.963158
"1554788"	472.188458	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+K"	38.963158
"311600"	453.210517	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+H+K"	39.970434
"696364"	669.823167	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+H+K"	39.970434
"1448725"	236.597867	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H+K"	39.970434
"236473"	908.484426	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+ACN+H"	42.033826
"1211854"	475.259126	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+ACN+H"	42.033826
"1198654"	238.133201	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+ACN+2H"	43.041102
"191522"	911.42176	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+2Na-H"	44.97116
"631810"	1344.64706	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+2Na-H"	44.97116
"1135680"	478.19646	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2Na-H"	44.97116
"176059"	456.214518	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+2Na"	45.978436
"620728"	672.827168	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+2Na"	45.978436
"1126060"	239.601868	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2Na"	45.978436
"1407760"	160.070337333333	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H+2Na"	46.985712
"1441704"	480.238046	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H+HCOOH"	47.012746
"232130"	461.24754	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+3H2O+2H"	56.04448
"1521648"	494.29009	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+IsoProp+H"	61.06479
"418416"	464.201488	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+Na+K"	61.952376
"781601"	680.814138	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+Na+K"	61.952376
"1675743"	247.588838	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Na+K"	61.952376
"261538"	930.466368	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+ACN+Na"	64.015768
"1238991"	497.241068	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+ACN+Na"	64.015768
"1726421"	497.264593	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+NH4+HCOOH"	64.039293
"1193112"	167.397651333333	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+3Na"	68.967654
"1664945"	502.219988	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Na+HCOOH"	68.994688
"169980"	943.36964	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+2K-H"	76.91904
"609541"	1376.59494	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+2K-H"	76.91904
"1093323"	510.14434	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2K-H"	76.91904
"147952"	472.188458	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"2M+2K"	77.926316
"583138"	688.801108	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"3M+2K"	77.926316
"1079683"	255.575808	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2K"	77.926316
"1108518"	512.158892	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2K+H"	78.933592
"1345999"	512.246507	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+DMSO+H"	79.021207
"1021107"	516.285676	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2ACN+H"	83.060376
"1539225"	517.279308	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+IsoProp+Na+H"	84.054008
"1002389"	258.646476	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+2ACN+2H"	84.067652
"1599079"	518.193928	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+K+HCOOH"	84.968628
"1419271"	548.225438	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+H+CF3COOH"	115.000138
"1153933"	279.159751	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+3ACN+2H"	125.094202
"1704578"	565.251985	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+NH4+CF3COOH"	132.026685
"1646790"	570.20738	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+Na+CF3COOH"	136.98208
"1580252"	586.18132	"C20554"	"Paspalinine"	"C27H31NO4"	"433.2253"	"M+K+CF3COOH"	152.95602
"807337"	501.2879	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M"	0
"975398"	482.26951	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-H2O-H"	-19.01839
"64006"	333.184657333333	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M-3H"	-3.021828
"505390"	500.280624	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M-3H"	-3.021828
"885382"	166.088690666667	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-3H"	-3.021828
"3955"	500.280624	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M-2H"	-2.014552
"450076"	750.924574	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M-2H"	-2.014552
"824596"	249.636674	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-2H"	-2.014552
"84586"	1001.568524	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M-H"	-1.007276
"534011"	1502.856424	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M-H"	-1.007276
"911247"	500.280624	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-H"	-1.007276
"60708"	1018.595071	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M-2H+NH4"	16.019271
"502465"	1519.882971	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M-2H+NH4"	16.019271
"879748"	517.307171	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-2H+NH4"	16.019271
"45867"	1023.550466	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M-2H+Na"	20.974666
"486397"	1524.838366	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M-2H+Na"	20.974666
"862250"	522.262566	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-2H+Na"	20.974666
"1631541"	522.262566	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Na-2H"	20.974666
"103936"	518.268963	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M-H+Cl"	33.962126
"545682"	768.912913	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M-H+Cl"	33.962126
"929359"	267.625013	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-H+Cl"	33.962126
"271194"	1037.545202	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+Cl"	34.969402
"661430"	1538.833102	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+Cl"	34.969402
"1274928"	536.257302	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Cl"	34.969402
"25140"	1039.524406	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M-2H+K"	36.948606
"464701"	1540.812306	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M-2H+K"	36.948606
"834847"	538.236506	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-2H+K"	36.948606
"1564898"	538.236506	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+K-2H"	36.948606
"945125"	546.286094	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-H+HCOOH"	44.998194
"367716"	1047.574001	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+HCOOH-H"	44.998201
"355973"	1061.589651	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+Hac-H"	59.013851
"1498244"	560.301751	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Hac-H"	59.013851
"973941"	568.268051	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-H+NaCOOH"	66.980151
"124298"	536.257302	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+2Cl"	69.938804
"561911"	786.901252	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+2Cl"	69.938804
"1023057"	285.613352	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2Cl"	69.938804
"1242998"	580.206785	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Br"	78.918885
"1304434"	582.262772	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Cl+HCOOH"	80.974872
"1325862"	604.244729	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Cl+NaCOOH"	102.956829
"918015"	614.273486	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M-H+CF3COOH"	112.985586
"1302384"	650.250164	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Cl+CF3COOH"	148.962264
"1381637"	466.275224	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H-2H2O"	-35.012676
"1396218"	484.2852	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H-H2O"	-17.0027
"293349"	1003.583076	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+H"	1.007276
"689790"	1504.870976	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+H"	1.007276
"1362121"	502.295176	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H"	1.007276
"137930"	502.295176	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+2H"	2.014552
"570198"	752.939126	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+2H"	2.014552
"1043371"	251.651226	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2H"	2.014552
"207261"	335.199209333333	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+3H"	3.021828
"648280"	502.295176	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+3H"	3.021828
"1165674"	168.103242666667	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+3H"	3.021828
"433324"	1020.609623	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+NH4"	18.033823
"799436"	1521.897523	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+NH4"	18.033823
"1691385"	519.321723	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+NH4"	18.033823
"337843"	510.8084495	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+H+NH4"	19.041099
"734638"	761.4523995	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+H+NH4"	19.041099
"1488824"	260.1644995	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H+NH4"	19.041099
"403857"	1025.565018	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+Na"	22.989218
"760478"	1526.852918	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+Na"	22.989218
"1609670"	524.277118	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Na"	22.989218
"328470"	513.286147	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+H+Na"	23.996494
"719069"	763.930097	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+H+Na"	23.996494
"1474710"	262.642197	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H+Na"	23.996494
"1062123"	175.430556666667	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2H+Na"	25.00377
"1272430"	534.321386	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+CH3OH+H"	33.033486
"390028"	1041.538958	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+K"	38.963158
"751754"	1542.826858	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+K"	38.963158
"1551618"	540.251058	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+K"	38.963158
"308430"	521.273117	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+H+K"	39.970434
"695381"	771.917067	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+H+K"	39.970434
"1447378"	270.629167	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H+K"	39.970434
"237070"	1044.609626	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+ACN+H"	42.033826
"1211964"	543.321726	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+ACN+H"	42.033826
"1196573"	272.164501	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+ACN+2H"	43.041102
"191634"	1047.54696	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+2Na-H"	44.97116
"633381"	1548.83486	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+2Na-H"	44.97116
"1136887"	546.25906	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2Na-H"	44.97116
"176898"	524.277118	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+2Na"	45.978436
"620838"	774.921068	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+2Na"	45.978436
"1125440"	273.633168	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2Na"	45.978436
"1407870"	182.757870666667	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H+2Na"	46.985712
"1442907"	548.300646	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H+HCOOH"	47.012746
"234065"	529.31014	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+3H2O+2H"	56.04448
"1520302"	562.35269	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+IsoProp+H"	61.06479
"421445"	532.264088	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+Na+K"	61.952376
"780982"	782.908038	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+Na+K"	61.952376
"1673666"	281.620138	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Na+K"	61.952376
"263837"	1066.591568	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+ACN+Na"	64.015768
"1238367"	565.303668	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+ACN+Na"	64.015768
"1727378"	565.327193	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+NH4+HCOOH"	64.039293
"1193341"	190.085184666667	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+3Na"	68.967654
"1663716"	570.282588	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Na+HCOOH"	68.994688
"168997"	1079.49484	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+2K-H"	76.91904
"611108"	1580.78274	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+2K-H"	76.91904
"1090154"	578.20694	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2K-H"	76.91904
"148064"	540.251058	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"2M+2K"	77.926316
"584341"	790.895008	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"3M+2K"	77.926316
"1073231"	289.607108	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2K"	77.926316
"1108628"	580.221492	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2K+H"	78.933592
"1348295"	580.309107	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+DMSO+H"	79.021207
"1021176"	584.348276	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2ACN+H"	83.060376
"1539091"	585.341908	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+IsoProp+Na+H"	84.054008
"1003594"	292.677776	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+2ACN+2H"	84.067652
"1597002"	586.256528	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+K+HCOOH"	84.968628
"1425942"	616.288038	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+H+CF3COOH"	115.000138
"1154044"	313.191051	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+3ACN+2H"	125.094202
"1706876"	633.314585	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+NH4+CF3COOH"	132.026685
"1646900"	638.26998	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+Na+CF3COOH"	136.98208
"1580362"	654.24392	"C20555"	"Aflatrem"	"C32H39NO4"	"501.2879"	"M+K+CF3COOH"	152.95602
"801979"	421.2617	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M"	0
"975511"	402.24331	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H2O-H"	-19.01839
"63061"	279.833857333333	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-3H"	-3.021828
"505500"	420.254424	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-3H"	-3.021828
"881115"	139.413290666667	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-3H"	-3.021828
"6252"	420.254424	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H"	-2.014552
"443625"	630.885274	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H"	-2.014552
"821426"	209.623574	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H"	-2.014552
"81172"	841.516124	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-H"	-1.007276
"533266"	1262.777824	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-H"	-1.007276
"910705"	420.254424	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H"	-1.007276
"60818"	858.542671	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H+NH4"	16.019271
"502495"	1279.804371	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H+NH4"	16.019271
"879046"	437.280971	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H+NH4"	16.019271
"43182"	863.498066	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H+Na"	20.974666
"484199"	1284.759766	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H+Na"	20.974666
"859080"	442.236366	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H+Na"	20.974666
"1629705"	442.236366	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na-2H"	20.974666
"105139"	438.242763	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-H+Cl"	33.962126
"546884"	648.873613	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-H+Cl"	33.962126
"934931"	227.611913	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+Cl"	33.962126
"268268"	877.492802	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Cl"	34.969402
"661903"	1298.754502	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+Cl"	34.969402
"1273453"	456.231102	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl"	34.969402
"15981"	879.472006	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M-2H+K"	36.948606
"455933"	1300.733706	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M-2H+K"	36.948606
"833980"	458.210306	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-2H+K"	36.948606
"1565008"	458.210306	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K-2H"	36.948606
"943533"	466.259894	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+HCOOH"	44.998194
"361695"	887.521601	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+HCOOH-H"	44.998201
"345838"	901.537251	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Hac-H"	59.013851
"1493854"	480.275551	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Hac-H"	59.013851
"973190"	488.241851	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+NaCOOH"	66.980151
"125137"	456.231102	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2Cl"	69.938804
"562021"	666.861952	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2Cl"	69.938804
"1031914"	245.600252	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2Cl"	69.938804
"1244931"	500.180585	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Br"	78.918885
"1306287"	502.236572	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl+HCOOH"	80.974872
"1320620"	524.218529	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl+NaCOOH"	102.956829
"919218"	534.247286	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M-H+CF3COOH"	112.985586
"1292647"	570.223964	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Cl+CF3COOH"	148.962264
"1378462"	386.249024	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H-2H2O"	-35.012676
"1395964"	404.259	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H-H2O"	-17.0027
"290179"	843.530676	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H"	1.007276
"685881"	1264.792376	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H"	1.007276
"1355669"	422.268976	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H"	1.007276
"138403"	422.268976	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2H"	2.014552
"571401"	632.899826	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2H"	2.014552
"1043481"	211.638126	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2H"	2.014552
"207736"	281.848409333333	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+3H"	3.021828
"648390"	422.268976	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+3H"	3.021828
"1164690"	141.427842666667	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+3H"	3.021828
"433434"	860.557223	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+NH4"	18.033823
"799546"	1281.818923	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+NH4"	18.033823
"1691859"	439.295523	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+NH4"	18.033823
"336860"	430.7822495	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H+NH4"	19.041099
"735840"	641.4130995	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H+NH4"	19.041099
"1489298"	220.1513995	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+NH4"	19.041099
"403967"	865.512618	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Na"	22.989218
"760588"	1286.774318	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+Na"	22.989218
"1609780"	444.250918	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na"	22.989218
"327123"	433.259947	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H+Na"	23.996494
"717356"	643.890797	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H+Na"	23.996494
"1471905"	222.629097	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+Na"	23.996494
"1061504"	148.755156666667	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2H+Na"	25.00377
"1270717"	454.295186	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+CH3OH+H"	33.033486
"390991"	881.486558	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+K"	38.963158
"751135"	1302.748258	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+K"	38.963158
"1552092"	460.224858	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K"	38.963158
"306351"	441.246917	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+H+K"	39.970434
"695490"	651.877767	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+H+K"	39.970434
"1447124"	230.616067	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+K"	39.970434
"239001"	884.557226	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+ACN+H"	42.033826
"1213896"	463.295526	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+ACN+H"	42.033826
"1196684"	232.151401	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+ACN+2H"	43.041102
"192837"	887.49456	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2Na-H"	44.97116
"634949"	1308.75626	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2Na-H"	44.97116
"1139184"	466.23286	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2Na-H"	44.97116
"177734"	444.250918	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2Na"	45.978436
"616571"	654.881768	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2Na"	45.978436
"1122267"	233.620068	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2Na"	45.978436
"1404699"	156.082470666667	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+2Na"	46.985712
"1442286"	468.274446	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+HCOOH"	47.012746
"233441"	449.28394	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+3H2O+2H"	56.04448
"1517857"	482.32649	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+IsoProp+H"	61.06479
"420824"	452.237888	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+Na+K"	61.952376
"780726"	662.868738	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+Na+K"	61.952376
"1672683"	241.607038	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na+K"	61.952376
"262852"	906.539168	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+ACN+Na"	64.015768
"1238840"	485.277468	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+ACN+Na"	64.015768
"1727608"	485.300993	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+NH4+HCOOH"	64.039293
"1192719"	163.409784666667	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+3Na"	68.967654
"1664311"	490.256388	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na+HCOOH"	68.994688
"168014"	919.44244	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2K-H"	76.91904
"610125"	1340.70414	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2K-H"	76.91904
"1090264"	498.18074	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2K-H"	76.91904
"148174"	460.224858	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"2M+2K"	77.926316
"584453"	670.855708	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"3M+2K"	77.926316
"1071155"	249.594008	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2K"	77.926316
"1102176"	500.195292	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2K+H"	78.933592
"1347312"	500.282907	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+DMSO+H"	79.021207
"1020593"	504.322076	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2ACN+H"	83.060376
"1538838"	505.315708	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+IsoProp+Na+H"	84.054008
"1005163"	252.664676	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+2ACN+2H"	84.067652
"1599300"	506.230328	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K+HCOOH"	84.968628
"1422772"	536.261838	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+H+CF3COOH"	115.000138
"1157434"	273.177951	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+3ACN+2H"	125.094202
"1708079"	553.288385	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+NH4+CF3COOH"	132.026685
"1645916"	558.24378	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+Na+CF3COOH"	136.98208
"1580472"	574.21772	"C20558"	"alpha-PC-M6;alpha-10-Hydroxy-12-demethyl-1112-dehydropaspaline"	"C27H35NO3"	"421.2617"	"M+K+CF3COOH"	152.95602
"804276"	305.0664	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M"	0
"975007"	286.04801	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-H2O-H"	-19.01839
"63331"	202.370324	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M-3H"	-3.021828
"508890"	304.059124	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M-3H"	-3.021828
"881346"	100.681524	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-3H"	-3.021828
"5268"	304.059124	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M-2H"	-2.014552
"444828"	456.592324	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M-2H"	-2.014552
"822629"	151.525924	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-2H"	-2.014552
"79701"	609.125524	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M-H"	-1.007276
"534227"	914.191924	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M-H"	-1.007276
"911305"	304.059124	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-H"	-1.007276
"60807"	626.152071	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M-2H+NH4"	16.019271
"502608"	931.218471	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M-2H+NH4"	16.019271
"879565"	321.085671	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-2H+NH4"	16.019271
"42926"	631.107466	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M-2H+Na"	20.974666
"484673"	936.173866	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M-2H+Na"	20.974666
"859191"	326.041066	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-2H+Na"	20.974666
"1627630"	326.041066	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Na-2H"	20.974666
"105250"	322.047463	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M-H+Cl"	33.962126
"545901"	474.580663	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M-H+Cl"	33.962126
"936134"	169.514263	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-H+Cl"	33.962126
"271416"	645.102202	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+Cl"	34.969402
"660554"	950.168602	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+Cl"	34.969402
"1274412"	340.035802	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Cl"	34.969402
"17697"	647.081406	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M-2H+K"	36.948606
"457142"	952.147806	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M-2H+K"	36.948606
"834698"	342.015006	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-2H+K"	36.948606
"1562931"	342.015006	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+K-2H"	36.948606
"946439"	350.064594	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-H+HCOOH"	44.998194
"363194"	655.131001	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+HCOOH-H"	44.998201
"348900"	669.146651	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+Hac-H"	59.013851
"1493964"	364.080251	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Hac-H"	59.013851
"974157"	372.046551	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-H+NaCOOH"	66.980151
"124760"	340.035802	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+2Cl"	69.938804
"564686"	492.569002	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+2Cl"	69.938804
"1034939"	187.502602	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2Cl"	69.938804
"1251601"	383.985285	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Br"	78.918885
"1306761"	386.041272	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Cl+HCOOH"	80.974872
"1320614"	408.023229	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Cl+NaCOOH"	102.956829
"917141"	418.051986	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M-H+CF3COOH"	112.985586
"1293485"	454.028664	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Cl+CF3COOH"	148.962264
"1375292"	270.053724	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H-2H2O"	-35.012676
"1398340"	288.0637	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H-H2O"	-17.0027
"293571"	611.140076	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+H"	1.007276
"684898"	916.206476	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+H"	1.007276
"1357966"	306.073676	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H"	1.007276
"138516"	306.073676	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+2H"	2.014552
"570418"	458.606876	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+2H"	2.014552
"1042498"	153.540476	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2H"	2.014552
"214773"	204.384876	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+3H"	3.021828
"649228"	306.073676	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+3H"	3.021828
"1164071"	102.696076	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+3H"	3.021828
"433544"	628.166623	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+NH4"	18.033823
"800992"	933.233023	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+NH4"	18.033823
"1687596"	323.100223	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+NH4"	18.033823
"340250"	314.5869495	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+H+NH4"	19.041099
"734857"	467.1201495	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+H+NH4"	19.041099
"1488679"	162.0537495	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H+NH4"	19.041099
"401890"	633.122018	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+Na"	22.989218
"760698"	938.188418	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+Na"	22.989218
"1607703"	328.055618	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Na"	22.989218
"327232"	317.064647	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+H+Na"	23.996494
"720017"	469.597847	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+H+Na"	23.996494
"1473837"	164.531447	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H+Na"	23.996494
"1065260"	110.02339	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2H+Na"	25.00377
"1271192"	338.099886	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+CH3OH+H"	33.033486
"391705"	649.095958	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+K"	38.963158
"753066"	954.162358	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+K"	38.963158
"1553658"	344.029558	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+K"	38.963158
"310835"	325.051617	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+H+K"	39.970434
"695601"	477.584817	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+H+K"	39.970434
"1448326"	172.518417	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H+K"	39.970434
"239476"	652.166626	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+ACN+H"	42.033826
"1212912"	347.100226	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+ACN+H"	42.033826
"1195702"	174.053751	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+ACN+2H"	43.041102
"191855"	655.10396	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+2Na-H"	44.97116
"631414"	960.17036	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+2Na-H"	44.97116
"1137108"	350.03756	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2Na-H"	44.97116
"177116"	328.055618	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+2Na"	45.978436
"618503"	480.588818	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+2Na"	45.978436
"1122378"	175.522418	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2Na"	45.978436
"1405902"	117.350704	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H+2Na"	46.985712
"1444101"	352.079146	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H+HCOOH"	47.012746
"233309"	333.08864	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+3H2O+2H"	56.04448
"1517967"	366.13119	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+IsoProp+H"	61.06479
"419840"	336.042588	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+Na+K"	61.952376
"779742"	488.575788	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+Na+K"	61.952376
"1674978"	183.509388	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Na+K"	61.952376
"263326"	674.148568	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+ACN+Na"	64.015768
"1237857"	369.082168	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+ACN+Na"	64.015768
"1726743"	369.105693	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+NH4+HCOOH"	64.039293
"1193436"	124.678018	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+3Na"	68.967654
"1664421"	374.061088	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Na+HCOOH"	68.994688
"168488"	687.05184	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+2K-H"	76.91904
"610235"	992.11824	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+2K-H"	76.91904
"1091469"	381.98544	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2K-H"	76.91904
"148285"	344.029558	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"2M+2K"	77.926316
"584563"	496.562758	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"3M+2K"	77.926316
"1078920"	191.496358	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2K"	77.926316
"1105567"	383.999992	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2K+H"	78.933592
"1347422"	384.087607	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+DMSO+H"	79.021207
"1020338"	388.126776	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2ACN+H"	83.060376
"1538462"	389.120408	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+IsoProp+Na+H"	84.054008
"1003816"	194.567026	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+2ACN+2H"	84.067652
"1595037"	390.035028	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+K+HCOOH"	84.968628
"1423975"	420.066538	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+H+CF3COOH"	115.000138
"1154264"	215.080301	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+3ACN+2H"	125.094202
"1708189"	437.093085	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+NH4+CF3COOH"	132.026685
"1646026"	442.04848	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+Na+CF3COOH"	136.98208
"1580582"	458.02242	"C20559"	"4-(beta-D-Ribofuranosyl)aniline 5-phosphate"	"C11H16NO7P"	"305.0664"	"M+K+CF3COOH"	152.95602
"810947"	187.1797	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M"	0
"976824"	168.16131	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-H2O-H"	-19.01839
"65064"	123.779190666667	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M-3H"	-3.021828
"504989"	186.172424	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M-3H"	-3.021828
"885712"	61.3859573333333	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-3H"	-3.021828
"4648"	186.172424	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M-2H"	-2.014552
"447126"	279.762274	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M-2H"	-2.014552
"823832"	92.582574	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-2H"	-2.014552
"83824"	373.352124	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M-H"	-1.007276
"532144"	560.531824	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M-H"	-1.007276
"910963"	186.172424	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-H"	-1.007276
"60917"	390.378671	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M-2H+NH4"	16.019271
"502554"	577.558371	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M-2H+NH4"	16.019271
"879909"	203.198971	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-2H+NH4"	16.019271
"45222"	395.334066	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M-2H+Na"	20.974666
"485631"	582.513766	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M-2H+Na"	20.974666
"859302"	208.154366	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-2H+Na"	20.974666
"1626649"	208.154366	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Na-2H"	20.974666
"103175"	204.160763	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M-H+Cl"	33.962126
"546011"	297.750613	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M-H+Cl"	33.962126
"940620"	110.570913	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-H+Cl"	33.962126
"271890"	409.328802	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+Cl"	34.969402
"662852"	596.508502	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+Cl"	34.969402
"1274885"	222.149102	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Cl"	34.969402
"19265"	411.308006	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M-2H+K"	36.948606
"457009"	598.487706	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M-2H+K"	36.948606
"834928"	224.128306	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-2H+K"	36.948606
"1557936"	224.128306	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+K-2H"	36.948606
"946913"	232.177894	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-H+HCOOH"	44.998194
"362695"	419.357601	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+HCOOH-H"	44.998201
"350104"	433.373251	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+Hac-H"	59.013851
"1494316"	246.193551	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Hac-H"	59.013851
"973655"	254.159851	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-H+NaCOOH"	66.980151
"125480"	222.149102	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+2Cl"	69.938804
"563338"	315.738952	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+2Cl"	69.938804
"1034321"	128.559252	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2Cl"	69.938804
"1249525"	266.098585	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Br"	78.918885
"1313071"	268.154572	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Cl+HCOOH"	80.974872
"1322181"	290.136529	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Cl+NaCOOH"	102.956829
"916522"	300.165286	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M-H+CF3COOH"	112.985586
"1292867"	336.141964	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Cl+CF3COOH"	148.962264
"1376496"	152.167024	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H-2H2O"	-35.012676
"1392904"	170.177	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H-H2O"	-17.0027
"294777"	375.366676	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+H"	1.007276
"687926"	562.546376	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+H"	1.007276
"1364273"	188.186976	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H"	1.007276
"134244"	188.186976	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+2H"	2.014552
"571622"	281.776826	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+2H"	2.014552
"1040784"	94.597126	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2H"	2.014552
"209415"	125.793742666667	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+3H"	3.021828
"645692"	188.186976	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+3H"	3.021828
"1164782"	63.4005093333333	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+3H"	3.021828
"428185"	392.393223	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+NH4"	18.033823
"797937"	579.572923	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+NH4"	18.033823
"1688800"	205.213523	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+NH4"	18.033823
"340360"	196.7002495	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+H+NH4"	19.041099
"726219"	290.2900995	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+H+NH4"	19.041099
"1486602"	103.1103995	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H+NH4"	19.041099
"396533"	397.348618	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+Na"	22.989218
"757528"	584.528318	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+Na"	22.989218
"1611094"	210.168918	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Na"	22.989218
"327344"	199.177947	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+H+Na"	23.996494
"719033"	292.767797	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+H+Na"	23.996494
"1475042"	105.588097	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H+Na"	23.996494
"1066948"	70.7278233333333	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2H+Na"	25.00377
"1272518"	220.213186	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+CH3OH+H"	33.033486
"392777"	413.322558	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+K"	38.963158
"749528"	600.502258	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+K"	38.963158
"1550488"	226.142858	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+K"	38.963158
"312039"	207.164917	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+H+K"	39.970434
"696805"	300.754767	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+H+K"	39.970434
"1449530"	113.575067	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H+K"	39.970434
"239224"	416.393226	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+ACN+H"	42.033826
"1219584"	229.213526	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+ACN+H"	42.033826
"1200187"	115.110401	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+ACN+2H"	43.041102
"191970"	419.33056	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+2Na-H"	44.97116
"634806"	606.51026	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+2Na-H"	44.97116
"1139041"	232.15086	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2Na-H"	44.97116
"182701"	210.168918	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+2Na"	45.978436
"619345"	303.758768	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+2Na"	45.978436
"1125769"	116.579068	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2Na"	45.978436
"1404919"	78.0551373333333	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H+2Na"	46.985712
"1443243"	234.192446	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H+HCOOH"	47.012746
"233669"	215.20194	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+3H2O+2H"	56.04448
"1524036"	248.24449	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+IsoProp+H"	61.06479
"418857"	218.155888	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+Na+K"	61.952376
"780945"	311.745738	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+Na+K"	61.952376
"1677277"	124.566038	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Na+K"	61.952376
"265991"	438.375168	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+ACN+Na"	64.015768
"1240156"	251.195468	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+ACN+Na"	64.015768
"1727097"	251.218993	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+NH4+HCOOH"	64.039293
"1193834"	85.3824513333333	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+3Na"	68.967654
"1665427"	256.174388	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Na+HCOOH"	68.994688
"171759"	451.27844	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+2K-H"	76.91904
"612175"	638.45814	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+2K-H"	76.91904
"1091580"	264.09874	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2K-H"	76.91904
"150582"	226.142858	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"2M+2K"	77.926316
"591235"	319.732708	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"3M+2K"	77.926316
"1076843"	132.553008	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2K"	77.926316
"1107865"	266.113292	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2K+H"	78.933592
"1348628"	266.200907	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+DMSO+H"	79.021207
"1020691"	270.240076	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2ACN+H"	83.060376
"1537478"	271.233708	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+IsoProp+Na+H"	84.054008
"1002827"	135.623676	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+2ACN+2H"	84.067652
"1595147"	272.148328	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+K+HCOOH"	84.968628
"1424085"	302.179838	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+H+CF3COOH"	115.000138
"1151094"	156.136951	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+3ACN+2H"	125.094202
"1705019"	319.206385	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+NH4+CF3COOH"	132.026685
"1647959"	324.16178	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+Na+CF3COOH"	136.98208
"1580692"	340.13572	"C20560"	"N1-(3-Aminopropyl)agmatine;N1-Aminopropylagmatine"	"C8H21N5"	"187.1797"	"M+K+CF3COOH"	152.95602
"802430"	571.3662	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M"	0
"974269"	552.34781	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-H2O-H"	-19.01839
"62929"	379.903524	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M-3H"	-3.021828
"505830"	570.358924	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M-3H"	-3.021828
"885822"	189.448124	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-3H"	-3.021828
"2207"	570.358924	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M-2H"	-2.014552
"447236"	856.042024	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M-2H"	-2.014552
"823942"	284.675824	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-2H"	-2.014552
"80653"	1141.725124	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M-H"	-1.007276
"526783"	1713.091324	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M-H"	-1.007276
"911196"	570.358924	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-H"	-1.007276
"61027"	1158.751671	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M-2H+NH4"	16.019271
"500952"	1730.117871	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M-2H+NH4"	16.019271
"875228"	587.385471	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-2H+NH4"	16.019271
"46878"	1163.707066	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M-2H+Na"	20.974666
"486843"	1735.073266	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M-2H+Na"	20.974666
"863543"	592.340866	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-2H+Na"	20.974666
"1633196"	592.340866	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Na-2H"	20.974666
"109935"	588.347263	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M-H+Cl"	33.962126
"546124"	874.030363	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M-H+Cl"	33.962126
"939637"	302.664163	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-H+Cl"	33.962126
"276010"	1177.701802	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+Cl"	34.969402
"670620"	1749.068002	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+Cl"	34.969402
"1278648"	606.335602	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Cl"	34.969402
"19382"	1179.681006	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M-2H+K"	36.948606
"459672"	1751.047206	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M-2H+K"	36.948606
"834193"	608.314806	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-2H+K"	36.948606
"1558046"	608.314806	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+K-2H"	36.948606
"952127"	616.364394	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-H+HCOOH"	44.998194
"363050"	1187.730601	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+HCOOH-H"	44.998201
"347299"	1201.746251	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+Hac-H"	59.013851
"1493333"	630.380051	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Hac-H"	59.013851
"973531"	638.346351	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-H+NaCOOH"	66.980151
"124747"	606.335602	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+2Cl"	69.938804
"564419"	892.018702	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+2Cl"	69.938804
"1033338"	320.652502	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2Cl"	69.938804
"1249635"	650.285085	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Br"	78.918885
"1314276"	652.341072	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Cl+HCOOH"	80.974872
"1327396"	674.323029	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Cl+NaCOOH"	102.956829
"920643"	684.351786	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M-H+CF3COOH"	112.985586
"1293341"	720.328464	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Cl+CF3COOH"	148.962264
"1375512"	536.353524	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H-2H2O"	-35.012676
"1398371"	554.3635	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H-H2O"	-17.0027
"298448"	1143.739676	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+H"	1.007276
"690837"	1715.105876	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+H"	1.007276
"1363292"	572.373476	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H"	1.007276
"134355"	572.373476	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+2H"	2.014552
"576106"	858.056576	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+2H"	2.014552
"1045998"	286.690376	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2H"	2.014552
"212807"	381.918076	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+3H"	3.021828
"650180"	572.373476	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+3H"	3.021828
"1165022"	191.462676	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+3H"	3.021828
"427567"	1160.766223	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+NH4"	18.033823
"800891"	1732.132423	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+NH4"	18.033823
"1690004"	589.400023	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+NH4"	18.033823
"344482"	580.8867495	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+H+NH4"	19.041099
"736172"	866.5698495	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+H+NH4"	19.041099
"1492061"	295.2036495	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H+NH4"	19.041099
"404299"	1165.721618	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+Na"	22.989218
"766388"	1737.087818	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+Na"	22.989218
"1614485"	594.355418	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Na"	22.989218
"327455"	583.364447	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+H+Na"	23.996494
"719875"	869.047547	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+H+Na"	23.996494
"1474059"	297.681347	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H+Na"	23.996494
"1066211"	198.78999	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2H+Na"	25.00377
"1272586"	604.399686	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+CH3OH+H"	33.033486
"392254"	1181.695558	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+K"	38.963158
"754103"	1753.061758	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+K"	38.963158
"1555056"	610.329358	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+K"	38.963158
"314059"	591.351417	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+H+K"	39.970434
"698009"	877.034517	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+H+K"	39.970434
"1452921"	305.668317	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H+K"	39.970434
"240429"	1184.766226	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+ACN+H"	42.033826
"1214957"	613.400026	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+ACN+H"	42.033826
"1201390"	307.203651	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+ACN+2H"	43.041102
"193173"	1187.70356	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+2Na-H"	44.97116
"635280"	1759.06976	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+2Na-H"	44.97116
"1138422"	616.33736	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2Na-H"	44.97116
"182811"	594.355418	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+2Na"	45.978436
"619091"	880.038518	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+2Na"	45.978436
"1124786"	308.672318	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2Na"	45.978436
"1403936"	206.117304	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H+2Na"	46.985712
"1444447"	618.378946	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H+HCOOH"	47.012746
"235687"	599.38844	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+3H2O+2H"	56.04448
"1523983"	632.43099	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+IsoProp+H"	61.06479
"416780"	602.342388	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+Na+K"	61.952376
"778868"	888.025488	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+Na+K"	61.952376
"1674107"	316.659288	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Na+K"	61.952376
"267084"	1206.748168	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+ACN+Na"	64.015768
"1241118"	635.381968	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+ACN+Na"	64.015768
"1727328"	635.405493	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+NH4+HCOOH"	64.039293
"1194108"	213.444618	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+3Na"	68.967654
"1665170"	640.360888	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Na+HCOOH"	68.994688
"172807"	1219.65144	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+2K-H"	76.91904
"612779"	1791.01764	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+2K-H"	76.91904
"1099344"	648.28524	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2K-H"	76.91904
"152879"	610.329358	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"2M+2K"	77.926316
"591345"	896.012458	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"3M+2K"	77.926316
"1081327"	324.646258	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2K"	77.926316
"1107975"	650.299792	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2K+H"	78.933592
"1349711"	650.387407	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+DMSO+H"	79.021207
"1020680"	654.426576	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2ACN+H"	83.060376
"1538439"	655.420208	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+IsoProp+Na+H"	84.054008
"1005129"	327.716926	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+2ACN+2H"	84.067652
"1595257"	656.334828	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+K+HCOOH"	84.968628
"1424195"	686.366338	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+H+CF3COOH"	115.000138
"1154484"	348.230201	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+3ACN+2H"	125.094202
"1705129"	703.392885	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+NH4+CF3COOH"	132.026685
"1648069"	708.34828	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+Na+CF3COOH"	136.98208
"1580802"	724.32222	"C20561"	"2122-Diprenylpaxilline"	"C37H49NO4"	"571.3662"	"M+K+CF3COOH"	152.95602
"801690"	482.1315	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M"	0
"977404"	463.11311	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-H2O-H"	-19.01839
"65648"	320.413724	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M-3H"	-3.021828
"505207"	481.124224	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M-3H"	-3.021828
"885932"	159.703224	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-3H"	-3.021828
"3411"	481.124224	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M-2H"	-2.014552
"450626"	722.189974	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M-2H"	-2.014552
"825146"	240.058474	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-2H"	-2.014552
"84041"	963.255724	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M-H"	-1.007276
"523611"	1445.387224	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M-H"	-1.007276
"901779"	481.124224	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-H"	-1.007276
"54697"	980.282271	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M-2H+NH4"	16.019271
"492067"	1462.413771	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M-2H+NH4"	16.019271
"875338"	498.150771	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-2H+NH4"	16.019271
"47095"	985.237666	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M-2H+Na"	20.974666
"486785"	1467.369166	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M-2H+Na"	20.974666
"863652"	503.106166	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-2H+Na"	20.974666
"1633185"	503.106166	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Na-2H"	20.974666
"109717"	499.112563	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M-H+Cl"	33.962126
"546234"	740.178313	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M-H+Cl"	33.962126
"935372"	258.046813	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-H+Cl"	33.962126
"272838"	999.232402	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+Cl"	34.969402
"668541"	1481.363902	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+Cl"	34.969402
"1278758"	517.100902	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Cl"	34.969402
"16331"	1001.211606	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M-2H+K"	36.948606
"456502"	1483.343106	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M-2H+K"	36.948606
"832998"	519.080106	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-2H+K"	36.948606
"1555963"	519.080106	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+K-2H"	36.948606
"946040"	527.129694	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-H+HCOOH"	44.998194
"363889"	1009.261201	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+HCOOH-H"	44.998201
"347409"	1023.276851	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+Hac-H"	59.013851
"1493323"	541.145351	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Hac-H"	59.013851
"973965"	549.111651	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-H+NaCOOH"	66.980151
"125420"	517.100902	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+2Cl"	69.938804
"564529"	758.166652	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+2Cl"	69.938804
"1035635"	276.035152	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2Cl"	69.938804
"1249745"	561.050385	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Br"	78.918885
"1313293"	563.106372	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Cl+HCOOH"	80.974872
"1327506"	585.088329	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Cl+NaCOOH"	102.956829
"920753"	595.117086	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M-H+CF3COOH"	112.985586
"1290898"	631.093764	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Cl+CF3COOH"	148.962264
"1371247"	447.118824	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H-2H2O"	-35.012676
"1398418"	465.1288	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H-H2O"	-17.0027
"298279"	965.270276	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+H"	1.007276
"688510"	1447.401776	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+H"	1.007276
"1363764"	483.138776	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H"	1.007276
"131184"	483.138776	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+2H"	2.014552
"571840"	724.204526	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+2H"	2.014552
"1043921"	242.073026	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2H"	2.014552
"212918"	322.428276	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+3H"	3.021828
"650290"	483.138776	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+3H"	3.021828
"1165132"	161.717776	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+3H"	3.021828
"427677"	982.296823	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+NH4"	18.033823
"797426"	1464.428323	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+NH4"	18.033823
"1695588"	500.165323	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+NH4"	18.033823
"344228"	491.6520495	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+H+NH4"	19.041099
"736282"	732.7177995	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+H+NH4"	19.041099
"1489011"	250.5862995	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H+NH4"	19.041099
"403316"	987.252218	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+Na"	22.989218
"764312"	1469.383718	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+Na"	22.989218
"1612408"	505.120718	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Na"	22.989218
"329477"	494.129747	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+H+Na"	23.996494
"722705"	735.195497	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+H+Na"	23.996494
"1476359"	253.063997	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H+Na"	23.996494
"1067984"	169.04509	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2H+Na"	25.00377
"1272578"	515.164986	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+CH3OH+H"	33.033486
"391309"	1003.226158	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+K"	38.963158
"753033"	1485.357658	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+K"	38.963158
"1554356"	521.094658	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+K"	38.963158
"313356"	502.116717	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+H+K"	39.970434
"700306"	743.182467	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+H+K"	39.970434
"1450845"	261.050967	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H+K"	39.970434
"239446"	1006.296826	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+ACN+H"	42.033826
"1214703"	524.165326	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+ACN+H"	42.033826
"1200407"	262.586301	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+ACN+2H"	43.041102
"191461"	1009.23416	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+2Na-H"	44.97116
"635026"	1491.36566	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+2Na-H"	44.97116
"1138532"	527.10266	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2Na-H"	44.97116
"180734"	505.120718	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+2Na"	45.978436
"617377"	746.186468	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+2Na"	45.978436
"1123802"	264.054968	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2Na"	45.978436
"1404046"	176.372404	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H+2Na"	46.985712
"1436160"	529.144246	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H+HCOOH"	47.012746
"235578"	510.15374	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+3H2O+2H"	56.04448
"1523404"	543.19629	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+IsoProp+H"	61.06479
"416890"	513.107688	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+Na+K"	61.952376
"778978"	754.173438	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+Na+K"	61.952376
"1675676"	272.041938	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Na+K"	61.952376
"259639"	1028.278768	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+ACN+Na"	64.015768
"1231254"	546.147268	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+ACN+Na"	64.015768
"1722335"	546.170793	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+NH4+HCOOH"	64.039293
"1194160"	183.699718	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+3Na"	68.967654
"1664995"	551.126188	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Na+HCOOH"	68.994688
"172753"	1041.18204	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+2K-H"	76.91904
"612802"	1523.31354	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+2K-H"	76.91904
"1099860"	559.05054	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2K-H"	76.91904
"154082"	521.094658	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"2M+2K"	77.926316
"588175"	762.160408	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"3M+2K"	77.926316
"1081437"	280.028908	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2K"	77.926316
"1105898"	561.065092	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2K+H"	78.933592
"1349821"	561.152707	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+DMSO+H"	79.021207
"1020995"	565.191876	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2ACN+H"	83.060376
"1539725"	566.185508	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+IsoProp+Na+H"	84.054008
"1005281"	283.099576	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+2ACN+2H"	84.067652
"1595367"	567.100128	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+K+HCOOH"	84.968628
"1424305"	597.131638	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+H+CF3COOH"	115.000138
"1154594"	303.612851	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+3ACN+2H"	125.094202
"1705239"	614.158185	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+NH4+CF3COOH"	132.026685
"1646356"	619.11358	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+Na+CF3COOH"	136.98208
"1580912"	635.08752	"C20562"	"N-(78-Dihydropterin-6-yl)methyl-4-(beta-D-ribofuranosyl)aniline 5-phosphate"	"C18H23N6O8P"	"482.1315"	"M+K+CF3COOH"	152.95602
"801800"	283.1321	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M"	0
"976058"	264.11371	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-H2O-H"	-19.01839
"64665"	187.747457333333	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M-3H"	-3.021828
"503738"	282.124824	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M-3H"	-3.021828
"886042"	93.3700906666667	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-3H"	-3.021828
"5708"	282.124824	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M-2H"	-2.014552
"447456"	423.690874	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M-2H"	-2.014552
"825256"	140.558774	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-2H"	-2.014552
"81965"	565.256924	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M-H"	-1.007276
"524085"	848.389024	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M-H"	-1.007276
"901524"	282.124824	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-H"	-1.007276
"52618"	582.283471	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M-2H+NH4"	16.019271
"492177"	865.415571	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M-2H+NH4"	16.019271
"868886"	299.151371	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-2H+NH4"	16.019271
"46029"	587.238866	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M-2H+Na"	20.974666
"486201"	870.370966	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M-2H+Na"	20.974666
"863761"	304.106766	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-2H+Na"	20.974666
"1633782"	304.106766	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Na-2H"	20.974666
"108852"	300.113163	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M-H+Cl"	33.962126
"548044"	441.679213	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M-H+Cl"	33.962126
"938763"	158.547113	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-H+Cl"	33.962126
"275134"	601.233602	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+Cl"	34.969402
"665370"	884.365702	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+Cl"	34.969402
"1273885"	318.101502	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Cl"	34.969402
"17534"	603.212806	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M-2H+K"	36.948606
"456854"	886.344906	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M-2H+K"	36.948606
"832861"	320.080706	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-2H+K"	36.948606
"1555590"	320.080706	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+K-2H"	36.948606
"943963"	328.130294	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-H+HCOOH"	44.998194
"362906"	611.262401	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+HCOOH-H"	44.998201
"349705"	625.278051	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+Hac-H"	59.013851
"1493190"	342.145951	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Hac-H"	59.013851
"973264"	350.112251	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-H+NaCOOH"	66.980151
"123748"	318.101502	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+2Cl"	69.938804
"563667"	459.667552	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+2Cl"	69.938804
"1035381"	176.535452	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2Cl"	69.938804
"1249855"	362.050985	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Br"	78.918885
"1315588"	364.106972	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Cl+HCOOH"	80.974872
"1326523"	386.088929	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Cl+NaCOOH"	102.956829
"921228"	396.117686	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M-H+CF3COOH"	112.985586
"1289428"	432.094364	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Cl+CF3COOH"	148.962264
"1370263"	248.119424	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H-2H2O"	-35.012676
"1397370"	266.1294	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H-H2O"	-17.0027
"295837"	567.271476	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+H"	1.007276
"687892"	850.403576	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+H"	1.007276
"1361687"	284.139376	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H"	1.007276
"129107"	284.139376	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+2H"	2.014552
"571950"	425.705426	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+2H"	2.014552
"1044031"	142.573326	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2H"	2.014552
"216307"	189.762009333333	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+3H"	3.021828
"650400"	284.139376	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+3H"	3.021828
"1165971"	95.3846426666667	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+3H"	3.021828
"427423"	584.298023	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+NH4"	18.033823
"797170"	867.430123	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+NH4"	18.033823
"1695697"	301.165923	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+NH4"	18.033823
"343609"	292.6526495	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+H+NH4"	19.041099
"735299"	434.2186995	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+H+NH4"	19.041099
"1489121"	151.0865995	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H+NH4"	19.041099
"405249"	589.253418	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+Na"	22.989218
"765514"	872.385518	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+Na"	22.989218
"1610331"	306.121318	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Na"	22.989218
"329712"	295.130347	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+H+Na"	23.996494
"722697"	436.696397	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+H+Na"	23.996494
"1476839"	153.564297	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H+Na"	23.996494
"1068138"	102.711956666667	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2H+Na"	25.00377
"1272120"	316.165586	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+CH3OH+H"	33.033486
"391298"	605.227358	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+K"	38.963158
"752293"	888.359458	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+K"	38.963158
"1553860"	322.095258	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+K"	38.963158
"311279"	303.117317	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+H+K"	39.970434
"701509"	444.683367	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+H+K"	39.970434
"1453141"	161.551267	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H+K"	39.970434
"242835"	608.298026	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+ACN+H"	42.033826
"1217728"	325.165926	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+ACN+H"	42.033826
"1200882"	163.086601	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+ACN+2H"	43.041102
"193393"	611.23536	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+2Na-H"	44.97116
"636229"	894.36746	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+2Na-H"	44.97116
"1139736"	328.10326	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2Na-H"	44.97116
"181937"	306.121318	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+2Na"	45.978436
"620036"	447.687368	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+2Na"	45.978436
"1125005"	164.555268	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2Na"	45.978436
"1405249"	110.039270666667	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H+2Na"	46.985712
"1436270"	330.144846	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H+HCOOH"	47.012746
"235293"	311.15434	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+3H2O+2H"	56.04448
"1523029"	344.19689	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+IsoProp+H"	61.06479
"417000"	314.108288	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+Na+K"	61.952376
"778360"	455.674338	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+Na+K"	61.952376
"1677973"	172.542238	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Na+K"	61.952376
"259385"	630.279968	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+ACN+Na"	64.015768
"1235011"	347.147868	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+ACN+Na"	64.015768
"1727306"	347.171393	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+NH4+HCOOH"	64.039293
"1193522"	117.366584666667	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+3Na"	68.967654
"1665442"	352.126788	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Na+HCOOH"	68.994688
"172540"	643.18324	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+2K-H"	76.91904
"612674"	926.31534	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+2K-H"	76.91904
"1099078"	360.05114	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2K-H"	76.91904
"154192"	322.095258	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"2M+2K"	77.926316
"588285"	463.661308	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"3M+2K"	77.926316
"1082398"	180.529208	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2K"	77.926316
"1113421"	362.065692	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2K+H"	78.933592
"1347862"	362.153307	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+DMSO+H"	79.021207
"1019561"	366.192476	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2ACN+H"	83.060376
"1538658"	367.186108	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+IsoProp+Na+H"	84.054008
"1005349"	183.599876	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+2ACN+2H"	84.067652
"1599850"	368.100728	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+K+HCOOH"	84.968628
"1424415"	398.132238	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+H+CF3COOH"	115.000138
"1157984"	204.113151	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+3ACN+2H"	125.094202
"1708628"	415.158785	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+NH4+CF3COOH"	132.026685
"1646466"	420.11418	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+Na+CF3COOH"	136.98208
"1581022"	436.08812	"C20563"	"Brevianamide F;Cyclo(L-Trp-L-Pro)"	"C16H17N3O2"	"283.1321"	"M+K+CF3COOH"	152.95602
"804826"	579.2945	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M"	0
"975438"	560.27611	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-H2O-H"	-19.01839
"64047"	385.189057333333	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M-3H"	-3.021828
"505063"	578.287224	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M-3H"	-3.021828
"887245"	192.090890666667	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-3H"	-3.021828
"4725"	578.287224	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M-2H"	-2.014552
"445379"	867.934474	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M-2H"	-2.014552
"825366"	288.639974	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-2H"	-2.014552
"79889"	1157.581724	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M-H"	-1.007276
"528204"	1736.876224	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M-H"	-1.007276
"904913"	578.287224	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-H"	-1.007276
"56008"	1174.608271	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M-2H+NH4"	16.019271
"495932"	1753.902771	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M-2H+NH4"	16.019271
"872276"	595.313771	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-2H+NH4"	16.019271
"46627"	1179.563666	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M-2H+Na"	20.974666
"486069"	1758.858166	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M-2H+Na"	20.974666
"860834"	600.269166	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-2H+Na"	20.974666
"1632553"	600.269166	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Na-2H"	20.974666
"106898"	596.275563	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M-H+Cl"	33.962126
"546453"	885.922813	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M-H+Cl"	33.962126
"939966"	306.628313	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-H+Cl"	33.962126
"275244"	1193.558402	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+Cl"	34.969402
"660376"	1772.852902	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+Cl"	34.969402
"1278978"	614.263902	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Cl"	34.969402
"20441"	1195.537606	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M-2H+K"	36.948606
"460001"	1774.832106	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M-2H+K"	36.948606
"836709"	616.243106	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-2H+K"	36.948606
"1556916"	616.243106	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+K-2H"	36.948606
"945894"	624.292694	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-H+HCOOH"	44.998194
"364109"	1203.587201	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+HCOOH-H"	44.998201
"349450"	1217.602851	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+Hac-H"	59.013851
"1495365"	638.308351	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Hac-H"	59.013851
"970574"	646.274651	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-H+NaCOOH"	66.980151
"123120"	614.263902	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+2Cl"	69.938804
"560493"	903.911152	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+2Cl"	69.938804
"1029294"	324.616652	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2Cl"	69.938804
"1249965"	658.213385	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Br"	78.918885
"1314606"	660.269372	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Cl+HCOOH"	80.974872
"1330646"	682.251329	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Cl+NaCOOH"	102.956829
"920975"	692.280086	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M-H+CF3COOH"	112.985586
"1294400"	728.256764	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Cl+CF3COOH"	148.962264
"1371467"	544.281824	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H-2H2O"	-35.012676
"1397722"	562.2918	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H-H2O"	-17.0027
"298140"	1159.596276	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+H"	1.007276
"689950"	1738.890776	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+H"	1.007276
"1361797"	580.301776	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H"	1.007276
"130310"	580.301776	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+2H"	2.014552
"572060"	869.949026	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+2H"	2.014552
"1044141"	290.654526	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2H"	2.014552
"209855"	387.203609333333	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+3H"	3.021828
"653791"	580.301776	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+3H"	3.021828
"1170821"	194.105442666667	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+3H"	3.021828
"435188"	1176.622823	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+NH4"	18.033823
"797282"	1755.917323	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+NH4"	18.033823
"1694712"	597.328323	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+NH4"	18.033823
"341897"	588.8150495	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+H+NH4"	19.041099
"736140"	878.4622995	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+H+NH4"	19.041099
"1490327"	299.1677995	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H+NH4"	19.041099
"404631"	1181.578218	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+Na"	22.989218
"763439"	1760.872718	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+Na"	22.989218
"1614453"	602.283718	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Na"	22.989218
"329374"	591.292747	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+H+Na"	23.996494
"720938"	880.939997	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+H+Na"	23.996494
"1475000"	301.645497	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H+Na"	23.996494
"1066908"	201.432756666667	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2H+Na"	25.00377
"1271504"	612.327986	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+CH3OH+H"	33.033486
"392265"	1197.552158	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+K"	38.963158
"753619"	1776.846658	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+K"	38.963158
"1554456"	618.257658	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+K"	38.963158
"314023"	599.279717	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+H+K"	39.970434
"703808"	888.926967	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+H+K"	39.970434
"1455440"	309.632467	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H+K"	39.970434
"241124"	1200.622826	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+ACN+H"	42.033826
"1217111"	621.328326	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+ACN+H"	42.033826
"1201720"	311.167801	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+ACN+2H"	43.041102
"195689"	1203.56016	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+2Na-H"	44.97116
"636340"	1782.85466	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+2Na-H"	44.97116
"1143126"	624.26566	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2Na-H"	44.97116
"182047"	602.283718	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+2Na"	45.978436
"621604"	891.930968	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+2Na"	45.978436
"1122927"	312.636468	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2Na"	45.978436
"1408276"	208.760070666667	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H+2Na"	46.985712
"1440025"	626.307246	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H+HCOOH"	47.012746
"232649"	607.31674	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+3H2O+2H"	56.04448
"1522529"	640.35929	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+IsoProp+H"	61.06479
"419663"	610.270688	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+Na+K"	61.952376
"780657"	899.917938	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+Na+K"	61.952376
"1677718"	320.623438	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Na+K"	61.952376
"262046"	1222.604768	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+ACN+Na"	64.015768
"1237308"	643.310268	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+ACN+Na"	64.015768
"1726566"	643.333793	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+NH4+HCOOH"	64.039293
"1193379"	216.087384666667	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+3Na"	68.967654
"1665428"	648.289188	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Na+HCOOH"	68.994688
"172613"	1235.50804	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+2K-H"	76.91904
"612742"	1814.80254	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+2K-H"	76.91904
"1099067"	656.21354	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2K-H"	76.91904
"152116"	618.257658	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"2M+2K"	77.926316
"588395"	907.904908	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"3M+2K"	77.926316
"1081657"	328.610408	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2K"	77.926316
"1113531"	658.228092	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2K+H"	78.933592
"1346879"	658.315707	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+DMSO+H"	79.021207
"1020888"	662.354876	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2ACN+H"	83.060376
"1538648"	663.348508	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+IsoProp+Na+H"	84.054008
"1004730"	331.681076	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+2ACN+2H"	84.067652
"1602391"	664.263128	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+K+HCOOH"	84.968628
"1426712"	694.294638	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+H+CF3COOH"	115.000138
"1158094"	352.194351	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+3ACN+2H"	125.094202
"1708738"	711.321185	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+NH4+CF3COOH"	132.026685
"1648400"	716.27658	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+Na+CF3COOH"	136.98208
"1581132"	732.25052	"C20564"	"Fumitremorgin A"	"C32H41N3O7"	"579.2945"	"M+K+CF3COOH"	152.95602
"804937"	658.105	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M"	0
"975430"	639.08661	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-H2O-H"	-19.01839
"62905"	437.729390666667	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M-3H"	-3.021828
"505177"	657.097724	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M-3H"	-3.021828
"886262"	218.361057333333	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-3H"	-3.021828
"339"	657.097724	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M-2H"	-2.014552
"447676"	986.150224	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M-2H"	-2.014552
"830579"	328.045224	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-2H"	-2.014552
"80727"	1315.202724	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M-H"	-1.007276
"523942"	1973.307724	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M-H"	-1.007276
"900651"	657.097724	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-H"	-1.007276
"57213"	1332.229271	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M-2H+NH4"	16.019271
"495679"	1990.334271	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M-2H+NH4"	16.019271
"869105"	674.124271	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-2H+NH4"	16.019271
"44671"	1337.184666	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M-2H+Na"	20.974666
"486948"	1995.289666	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M-2H+Na"	20.974666
"863130"	679.079666	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-2H+Na"	20.974666
"1630477"	679.079666	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Na-2H"	20.974666
"107008"	675.086063	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M-H+Cl"	33.962126
"548749"	1004.138563	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M-H+Cl"	33.962126
"940076"	346.033563	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-H+Cl"	33.962126
"273168"	1351.179402	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+Cl"	34.969402
"661213"	2009.284402	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+Cl"	34.969402
"1273252"	693.074402	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Cl"	34.969402
"16902"	1353.158606	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M-2H+K"	36.948606
"460111"	2011.263606	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M-2H+K"	36.948606
"835726"	695.053606	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-2H+K"	36.948606
"1558119"	695.053606	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+K-2H"	36.948606
"944179"	703.103194	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-H+HCOOH"	44.998194
"364583"	1361.208201	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+HCOOH-H"	44.998201
"350289"	1375.223851	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+Hac-H"	59.013851
"1494382"	717.118851	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Hac-H"	59.013851
"969955"	725.085151	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-H+NaCOOH"	66.980151
"123230"	693.074402	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+2Cl"	69.938804
"560603"	1022.126902	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+2Cl"	69.938804
"1029404"	364.021902	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2Cl"	69.938804
"1246067"	737.023885	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Br"	78.918885
"1314352"	739.079872	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Cl+HCOOH"	80.974872
"1330392"	761.061829	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Cl+NaCOOH"	102.956829
"921085"	771.090586	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M-H+CF3COOH"	112.985586
"1293417"	807.067264	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Cl+CF3COOH"	148.962264
"1370484"	623.092324	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H-2H2O"	-35.012676
"1398195"	641.1023	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H-H2O"	-17.0027
"298369"	1317.217276	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+H"	1.007276
"687020"	1975.322276	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+H"	1.007276
"1360815"	659.112276	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H"	1.007276
"130420"	659.112276	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+2H"	2.014552
"572170"	988.164776	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+2H"	2.014552
"1044251"	330.059776	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2H"	2.014552
"209965"	439.743942666667	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+3H"	3.021828
"652808"	659.112276	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+3H"	3.021828
"1166922"	220.375609333333	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+3H"	3.021828
"432018"	1334.243823	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+NH4"	18.033823
"790096"	1992.348823	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+NH4"	18.033823
"1694821"	676.138823	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+NH4"	18.033823
"342006"	667.6255495	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+H+NH4"	19.041099
"734427"	996.6780495	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+H+NH4"	19.041099
"1491166"	338.5730495	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H+NH4"	19.041099
"401461"	1339.199218	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+Na"	22.989218
"759175"	1997.304218	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+Na"	22.989218
"1612740"	681.094218	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Na"	22.989218
"329872"	670.103247	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+H+Na"	23.996494
"720926"	999.155747	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+H+Na"	23.996494
"1476328"	341.050747	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H+Na"	23.996494
"1067628"	227.702923333333	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2H+Na"	25.00377
"1272094"	691.138486	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+CH3OH+H"	33.033486
"392004"	1355.173158	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+K"	38.963158
"753569"	2013.278158	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+K"	38.963158
"1555176"	697.068158	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+K"	38.963158
"314094"	678.090217	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+H+K"	39.970434
"706471"	1007.142717	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+H+K"	39.970434
"1455550"	349.037717	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H+K"	39.970434
"243057"	1358.243826	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+ACN+H"	42.033826
"1216857"	700.138826	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+ACN+H"	42.033826
"1202923"	350.573051	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+ACN+2H"	43.041102
"196892"	1361.18116	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+2Na-H"	44.97116
"633899"	2019.28616	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+2Na-H"	44.97116
"1141049"	703.07616	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2Na-H"	44.97116
"182157"	681.094218	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+2Na"	45.978436
"621714"	1010.146718	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+2Na"	45.978436
"1121944"	352.041718	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2Na"	45.978436
"1407656"	235.030237333333	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H+2Na"	46.985712
"1437584"	705.117746	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H+HCOOH"	47.012746
"233123"	686.12724	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+3H2O+2H"	56.04448
"1521909"	719.16979	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+IsoProp+H"	61.06479
"420136"	689.081188	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+Na+K"	61.952376
"779307"	1018.133688	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+Na+K"	61.952376
"1673452"	360.028688	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Na+K"	61.952376
"257782"	1380.225768	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+ACN+Na"	64.015768
"1235959"	722.120768	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+ACN+Na"	64.015768
"1718283"	722.144293	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+NH4+HCOOH"	64.039293
"1192032"	242.357551333333	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+3Na"	68.967654
"1665556"	727.099688	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Na+HCOOH"	68.994688
"172641"	1393.12904	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+2K-H"	76.91904
"612771"	2051.23404	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+2K-H"	76.91904
"1098568"	735.02404	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2K-H"	76.91904
"153318"	697.068158	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"2M+2K"	77.926316
"590693"	1026.120658	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"3M+2K"	77.926316
"1084046"	368.015658	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2K"	77.926316
"1113883"	737.038592	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2K+H"	78.933592
"1346989"	737.126207	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+DMSO+H"	79.021207
"1020636"	741.165376	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2ACN+H"	83.060376
"1539244"	742.159008	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+IsoProp+Na+H"	84.054008
"1002283"	371.086326	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+2ACN+2H"	84.067652
"1600070"	743.073628	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+K+HCOOH"	84.968628
"1426822"	773.105138	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+H+CF3COOH"	115.000138
"1160390"	391.599601	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+3ACN+2H"	125.094202
"1708848"	790.131685	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+NH4+CF3COOH"	132.026685
"1643405"	795.08708	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+Na+CF3COOH"	136.98208
"1581242"	811.06102	"C20565"	"Cyclic di-35-adenylate;Cyclic di-AMP"	"C20H24N10O12P2"	"658.105"	"M+K+CF3COOH"	152.95602
"808327"	335.0631	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M"	0
"976391"	316.04471	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H2O-H"	-19.01839
"64631"	222.368124	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-3H"	-3.021828
"506380"	334.055824	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-3H"	-3.021828
"887465"	110.680424	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-3H"	-3.021828
"7132"	334.055824	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H"	-2.014552
"452888"	501.587374	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H"	-2.014552
"830689"	166.524274	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H"	-2.014552
"83388"	669.118924	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-H"	-1.007276
"525145"	1004.182024	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-H"	-1.007276
"900761"	334.055824	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H"	-1.007276
"58416"	686.145471	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H+NH4"	16.019271
"492508"	1021.208571	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H+NH4"	16.019271
"869578"	351.082371	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H+NH4"	16.019271
"42952"	691.100866	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H+Na"	20.974666
"482150"	1026.163966	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H+Na"	20.974666
"863237"	356.037766	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H+Na"	20.974666
"1630583"	356.037766	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na-2H"	20.974666
"109300"	352.044163	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-H+Cl"	33.962126
"548859"	519.575713	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-H+Cl"	33.962126
"937999"	184.512613	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+Cl"	33.962126
"272184"	705.095602	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Cl"	34.969402
"662420"	1040.158702	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+Cl"	34.969402
"1275918"	370.032502	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl"	34.969402
"18473"	707.074806	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M-2H+K"	36.948606
"460221"	1042.137906	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M-2H+K"	36.948606
"836200"	372.011706	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-2H+K"	36.948606
"1559322"	372.011706	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K-2H"	36.948606
"945018"	380.061294	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+HCOOH"	44.998194
"365422"	715.124401	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+HCOOH-H"	44.998201
"348213"	729.140051	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Hac-H"	59.013851
"1496314"	394.076951	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Hac-H"	59.013851
"972613"	402.043251	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+NaCOOH"	66.980151
"123340"	370.032502	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2Cl"	69.938804
"565210"	537.564052	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2Cl"	69.938804
"1029514"	202.500952	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2Cl"	69.938804
"1250185"	413.981985	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Br"	78.918885
"1313733"	416.037972	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl+HCOOH"	80.974872
"1330868"	438.019929	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl+NaCOOH"	102.956829
"921924"	448.048686	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M-H+CF3COOH"	112.985586
"1294620"	484.025364	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Cl+CF3COOH"	148.962264
"1370594"	300.050424	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H-2H2O"	-35.012676
"1397943"	318.0604	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H-H2O"	-17.0027
"295803"	671.133476	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H"	1.007276
"686401"	1006.196576	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H"	1.007276
"1361653"	336.070376	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H"	1.007276
"130530"	336.070376	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2H"	2.014552
"572280"	503.601926	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2H"	2.014552
"1041079"	168.538826	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2H"	2.014552
"212262"	224.382676	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+3H"	3.021828
"656198"	336.070376	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+3H"	3.021828
"1165575"	112.694976	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+3H"	3.021828
"432128"	688.160023	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+NH4"	18.033823
"789842"	1023.223123	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+NH4"	18.033823
"1694933"	353.096923	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+NH4"	18.033823
"344306"	344.5836495	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H+NH4"	19.041099
"736726"	512.1151995	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H+NH4"	19.041099
"1490183"	177.0520995	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+NH4"	19.041099
"403758"	693.115418	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Na"	22.989218
"763659"	1028.178518	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+Na"	22.989218
"1615037"	358.052318	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na"	22.989218
"329224"	347.061347	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H+Na"	23.996494
"722135"	514.592897	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H+Na"	23.996494
"1476764"	179.529797	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+Na"	23.996494
"1067488"	120.02229	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2H+Na"	25.00377
"1271717"	368.096586	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+CH3OH+H"	33.033486
"391385"	709.089358	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+K"	38.963158
"753111"	1044.152458	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+K"	38.963158
"1555479"	374.026258	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K"	38.963158
"312701"	355.048317	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+H+K"	39.970434
"700746"	522.579867	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+H+K"	39.970434
"1455660"	187.516767	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+K"	39.970434
"242074"	712.160026	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+ACN+H"	42.033826
"1215874"	377.096926	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+ACN+H"	42.033826
"1197933"	189.052101	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+ACN+2H"	43.041102
"194816"	715.09736	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2Na-H"	44.97116
"634375"	1050.16046	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2Na-H"	44.97116
"1140067"	380.03426	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2Na-H"	44.97116
"177894"	358.052318	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2Na"	45.978436
"618548"	525.583868	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2Na"	45.978436
"1126065"	190.520768	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2Na"	45.978436
"1407766"	127.349604	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+2Na"	46.985712
"1438788"	382.075846	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+HCOOH"	47.012746
"233595"	363.08534	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+3H2O+2H"	56.04448
"1517644"	396.12789	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+IsoProp+H"	61.06479
"416963"	366.039288	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+Na+K"	61.952376
"779417"	533.570838	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+Na+K"	61.952376
"1673561"	198.507738	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na+K"	61.952376
"259715"	734.141968	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+ACN+Na"	64.015768
"1236434"	399.078868	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+ACN+Na"	64.015768
"1718393"	399.102393	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+NH4+HCOOH"	64.039293
"1192507"	134.676918	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+3Na"	68.967654
"1665169"	404.057788	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na+HCOOH"	68.994688
"172668"	747.04524	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2K-H"	76.91904
"612732"	1082.10834	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2K-H"	76.91904
"1099044"	411.98214	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2K-H"	76.91904
"153428"	374.026258	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"2M+2K"	77.926316
"590803"	541.557808	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"3M+2K"	77.926316
"1083827"	206.494708	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2K"	77.926316
"1110713"	413.996692	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2K+H"	78.933592
"1347099"	414.084307	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+DMSO+H"	79.021207
"1021226"	418.123476	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2ACN+H"	83.060376
"1539231"	419.117108	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+IsoProp+Na+H"	84.054008
"1005068"	209.565376	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+2ACN+2H"	84.067652
"1601275"	420.031728	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K+HCOOH"	84.968628
"1428027"	450.063238	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+H+CF3COOH"	115.000138
"1161593"	230.078651	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+3ACN+2H"	125.094202
"1711145"	467.089785	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+NH4+CF3COOH"	132.026685
"1643515"	472.04518	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+Na+CF3COOH"	136.98208
"1581352"	488.01912	"C20566"	"78-Dihydroneopterin 2-phosphate"	"C9H14N5O7P"	"335.0631"	"M+K+CF3COOH"	152.95602
"805157"	317.0525	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M"	0
"974714"	298.03411	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-H2O-H"	-19.01839
"63646"	210.361057333333	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M-3H"	-3.021828
"508677"	316.045224	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M-3H"	-3.021828
"886482"	104.676890666667	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-3H"	-3.021828
"5056"	316.045224	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M-2H"	-2.014552
"447897"	474.571474	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M-2H"	-2.014552
"827884"	157.518974	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-2H"	-2.014552
"91154"	633.097724	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M-H"	-1.007276
"524161"	950.150224	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M-H"	-1.007276
"901964"	316.045224	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-H"	-1.007276
"56339"	650.124271	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M-2H+NH4"	16.019271
"493710"	967.176771	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M-2H+NH4"	16.019271
"869688"	333.071771	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-2H+NH4"	16.019271
"41969"	655.079666	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M-2H+Na"	20.974666
"482260"	972.132166	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M-2H+Na"	20.974666
"857879"	338.027166	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-2H+Na"	20.974666
"1624131"	338.027166	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Na-2H"	20.974666
"107953"	334.033563	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M-H+Cl"	33.962126
"545689"	492.559813	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M-H+Cl"	33.962126
"938109"	175.507313	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-H+Cl"	33.962126
"273387"	669.074402	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+Cl"	34.969402
"662530"	986.126902	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+Cl"	34.969402
"1277120"	352.021902	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Cl"	34.969402
"17488"	671.053606	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M-2H+K"	36.948606
"455811"	988.106106	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M-2H+K"	36.948606
"833387"	354.001106	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-2H+K"	36.948606
"1557974"	354.001106	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+K-2H"	36.948606
"945856"	362.050694	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-H+HCOOH"	44.998194
"364439"	679.103201	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+HCOOH-H"	44.998201
"350509"	693.118851	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+Hac-H"	59.013851
"1495695"	376.066351	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Hac-H"	59.013851
"973329"	384.032651	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-H+NaCOOH"	66.980151
"123450"	352.021902	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+2Cl"	69.938804
"564103"	510.548152	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+2Cl"	69.938804
"1029624"	193.495652	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2Cl"	69.938804
"1247015"	395.971385	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Br"	78.918885
"1317121"	398.027372	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Cl+HCOOH"	80.974872
"1330244"	420.009329	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Cl+NaCOOH"	102.956829
"923856"	430.038086	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M-H+CF3COOH"	112.985586
"1294730"	466.014764	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Cl+CF3COOH"	148.962264
"1370704"	282.039824	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H-2H2O"	-35.012676
"1398216"	300.0498	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H-H2O"	-17.0027
"295549"	635.112276	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+H"	1.007276
"687605"	952.164776	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+H"	1.007276
"1362859"	318.059776	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H"	1.007276
"131733"	318.059776	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+2H"	2.014552
"575306"	476.586026	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+2H"	2.014552
"1042282"	159.533526	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2H"	2.014552
"212372"	212.375609333333	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+3H"	3.021828
"653028"	318.059776	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+3H"	3.021828
"1165685"	106.691442666667	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+3H"	3.021828
"431145"	652.138823	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+NH4"	18.033823
"788130"	969.191323	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+NH4"	18.033823
"1694317"	335.086323	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+NH4"	18.033823
"341137"	326.5730495	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+H+NH4"	19.041099
"732463"	485.0992995	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+H+NH4"	19.041099
"1490656"	168.0467995	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H+NH4"	19.041099
"402773"	657.094218	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+Na"	22.989218
"761581"	974.146718	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+Na"	22.989218
"1612592"	340.041718	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Na"	22.989218
"329781"	329.050747	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+H+Na"	23.996494
"721272"	487.576997	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+H+Na"	23.996494
"1476549"	170.524497	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H+Na"	23.996494
"1066869"	114.018756666667	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2H+Na"	25.00377
"1272436"	350.085986	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+CH3OH+H"	33.033486
"392671"	673.068158	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+K"	38.963158
"753221"	990.120658	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+K"	38.963158
"1555559"	356.015658	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+K"	38.963158
"313176"	337.037717	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+H+K"	39.970434
"700856"	495.563967	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+H+K"	39.970434
"1455770"	178.511467	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H+K"	39.970434
"244370"	676.138826	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+ACN+H"	42.033826
"1215984"	359.086326	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+ACN+H"	42.033826
"1198772"	180.046801	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+ACN+2H"	43.041102
"196019"	679.07616	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+2Na-H"	44.97116
"637765"	996.12866	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+2Na-H"	44.97116
"1141271"	362.02366	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2Na-H"	44.97116
"176908"	340.041718	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+2Na"	45.978436
"617561"	498.567968	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+2Na"	45.978436
"1124352"	181.515468	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2Na"	45.978436
"1407876"	121.346070666667	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H+2Na"	46.985712
"1439991"	364.065246	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H+HCOOH"	47.012746
"233704"	345.07474	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+3H2O+2H"	56.04448
"1516661"	378.11729	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+IsoProp+H"	61.06479
"414158"	348.028688	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+Na+K"	61.952376
"777341"	506.554938	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+Na+K"	61.952376
"1670392"	189.502438	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Na+K"	61.952376
"258003"	698.120768	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+ACN+Na"	64.015768
"1236179"	381.068268	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+ACN+Na"	64.015768
"1721785"	381.091793	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+NH4+HCOOH"	64.039293
"1193346"	128.673384666667	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+3Na"	68.967654
"1665530"	386.047188	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Na+HCOOH"	68.994688
"172819"	711.02404	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+2K-H"	76.91904
"612214"	1028.07654	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+2K-H"	76.91904
"1097452"	393.97154	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2K-H"	76.91904
"153537"	356.015658	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"2M+2K"	77.926316
"588726"	514.541908	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"3M+2K"	77.926316
"1079800"	197.489408	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2K"	77.926316
"1105355"	395.986092	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2K+H"	78.933592
"1347209"	396.073707	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+DMSO+H"	79.021207
"1013555"	400.112876	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2ACN+H"	83.060376
"1533868"	401.106508	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+IsoProp+Na+H"	84.054008
"1002503"	200.560076	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+2ACN+2H"	84.067652
"1601386"	402.021128	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+K+HCOOH"	84.968628
"1429353"	432.052638	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+H+CF3COOH"	115.000138
"1161339"	221.073351	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+3ACN+2H"	125.094202
"1711255"	449.079185	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+NH4+CF3COOH"	132.026685
"1643625"	454.03458	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+Na+CF3COOH"	136.98208
"1581462"	470.00852	"C20567"	"78-Dihydroneopterin 23-cyclic phosphate"	"C9H12N5O6P"	"317.0525"	"M+K+CF3COOH"	152.95602
"808547"	282.0951	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M"	0
"978799"	263.07671	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-H2O-H"	-19.01839
"64854"	187.056124	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M-3H"	-3.021828
"506600"	281.087824	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M-3H"	-3.021828
"888780"	93.024424	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-3H"	-3.021828
"4074"	281.087824	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M-2H"	-2.014552
"444727"	422.135374	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M-2H"	-2.014552
"827994"	140.040274	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-2H"	-2.014552
"91143"	563.182924	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M-H"	-1.007276
"524271"	845.278024	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M-H"	-1.007276
"900978"	281.087824	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-H"	-1.007276
"52435"	580.209471	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M-2H+NH4"	16.019271
"491996"	862.304571	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M-2H+NH4"	16.019271
"870527"	298.114371	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-2H+NH4"	16.019271
"42445"	585.164866	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M-2H+Na"	20.974666
"481277"	867.259966	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M-2H+Na"	20.974666
"854709"	303.069766	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-2H+Na"	20.974666
"1622054"	303.069766	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Na-2H"	20.974666
"105146"	299.076163	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M-H+Cl"	33.962126
"542519"	440.123713	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M-H+Cl"	33.962126
"932752"	158.028613	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-H+Cl"	33.962126
"272405"	599.159602	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+Cl"	34.969402
"665921"	881.254702	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+Cl"	34.969402
"1276138"	317.064502	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Cl"	34.969402
"18693"	601.138806	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M-2H+K"	36.948606
"455715"	883.233906	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M-2H+K"	36.948606
"833050"	319.043706	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-2H+K"	36.948606
"1555708"	319.043706	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+K-2H"	36.948606
"943415"	327.093294	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-H+HCOOH"	44.998194
"364184"	609.188401	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+HCOOH-H"	44.998201
"348797"	623.204051	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+Hac-H"	59.013851
"1494348"	341.108951	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Hac-H"	59.013851
"971741"	349.075251	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-H+NaCOOH"	66.980151
"121374"	317.064502	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+2Cl"	69.938804
"563120"	458.112052	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+2Cl"	69.938804
"1031921"	176.016952	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2Cl"	69.938804
"1247125"	361.013985	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Br"	78.918885
"1316504"	363.069972	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Cl+HCOOH"	80.974872
"1323792"	385.051929	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Cl+NaCOOH"	102.956829
"924331"	395.080686	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M-H+CF3COOH"	112.985586
"1293747"	431.057364	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Cl+CF3COOH"	148.962264
"1368627"	247.082424	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H-2H2O"	-35.012676
"1397797"	265.0924	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H-H2O"	-17.0027
"296752"	565.197476	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+H"	1.007276
"686981"	847.292576	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+H"	1.007276
"1363697"	283.102376	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H"	1.007276
"131843"	283.102376	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+2H"	2.014552
"574687"	424.149926	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+2H"	2.014552
"1041298"	142.054826	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2H"	2.014552
"206887"	189.070676	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+3H"	3.021828
"647669"	283.102376	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+3H"	3.021828
"1166885"	95.038976	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+3H"	3.021828
"428329"	582.224023	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+NH4"	18.033823
"791154"	864.319123	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+NH4"	18.033823
"1695395"	300.128923	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+NH4"	18.033823
"342703"	291.6156495	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+H+NH4"	19.041099
"733666"	432.6631995	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+H+NH4"	19.041099
"1488578"	150.5680995	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H+NH4"	19.041099
"400695"	587.179418	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+Na"	22.989218
"763510"	869.274518	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+Na"	22.989218
"1612702"	305.084318	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Na"	22.989218
"329565"	294.093347	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+H+Na"	23.996494
"721865"	435.140897	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+H+Na"	23.996494
"1475807"	153.045797	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H+Na"	23.996494
"1065644"	102.36629	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2H+Na"	25.00377
"1272305"	315.128586	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+CH3OH+H"	33.033486
"388325"	603.153358	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+K"	38.963158
"751509"	885.248458	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+K"	38.963158
"1553195"	321.058258	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+K"	38.963158
"311465"	302.080317	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+H+K"	39.970434
"700966"	443.127867	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+H+K"	39.970434
"1450412"	161.032767	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H+K"	39.970434
"242291"	606.224026	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+ACN+H"	42.033826
"1213905"	324.128926	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+ACN+H"	42.033826
"1201069"	162.568101	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+ACN+2H"	43.041102
"193941"	609.16136	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+2Na-H"	44.97116
"637875"	891.25646	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+2Na-H"	44.97116
"1139193"	327.06626	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2Na-H"	44.97116
"180295"	305.084318	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+2Na"	45.978436
"615849"	446.131868	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+2Na"	45.978436
"1123369"	164.036768	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2Na"	45.978436
"1406893"	109.693604	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H+2Na"	46.985712
"1436821"	329.107846	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H+HCOOH"	47.012746
"232356"	310.11734	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+3H2O+2H"	56.04448
"1517864"	343.15989	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+IsoProp+H"	61.06479
"412082"	313.071288	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+Na+K"	61.952376
"774171"	454.118838	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+Na+K"	61.952376
"1670502"	172.023738	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Na+K"	61.952376
"255926"	628.205968	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+ACN+Na"	64.015768
"1233009"	346.110868	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+ACN+Na"	64.015768
"1719709"	346.134393	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+NH4+HCOOH"	64.039293
"1193336"	117.020918	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+3Na"	68.967654
"1665461"	351.089788	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Na+HCOOH"	68.994688
"172157"	641.10924	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+2K-H"	76.91904
"612080"	923.20434	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+2K-H"	76.91904
"1097926"	359.01414	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2K-H"	76.91904
"150367"	321.058258	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"2M+2K"	77.926316
"586649"	462.105808	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"3M+2K"	77.926316
"1079910"	180.010708	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2K"	77.926316
"1104371"	361.028692	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2K+H"	78.933592
"1348413"	361.116307	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+DMSO+H"	79.021207
"1013665"	365.155476	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2ACN+H"	83.060376
"1536164"	366.149108	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+IsoProp+Na+H"	84.054008
"992772"	183.081376	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+2ACN+2H"	84.067652
"1590556"	367.063728	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+K+HCOOH"	84.968628
"1427884"	397.095238	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+H+CF3COOH"	115.000138
"1161813"	203.594651	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+3ACN+2H"	125.094202
"1709177"	414.121785	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+NH4+CF3COOH"	132.026685
"1643735"	419.07718	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+Na+CF3COOH"	136.98208
"1581572"	435.05112	"C20568"	"beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranose"	"C10H18O9"	"282.0951"	"M+K+CF3COOH"	152.95602
"805377"	150.0528	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M"	0
"974897"	131.03441	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"64964"	99.027924	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507803"	149.045524	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"888890"	49.010324	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"3090"	149.045524	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"448117"	224.071924	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"828104"	74.019124	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"91374"	299.098324	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"524381"	449.151124	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"901088"	149.045524	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"51451"	316.124871	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"492835"	466.177671	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"872824"	166.072071	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"43648"	321.080266	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"482480"	471.133066	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"854819"	171.027466	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1622164"	171.027466	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"97964"	167.033863	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"537160"	242.060263	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"931769"	92.007463	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"273607"	335.075002	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"666031"	485.127802	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1279528"	185.022202	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"18803"	337.054206	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"455965"	487.107006	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"833605"	187.001406	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1557465"	187.001406	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"944618"	195.050994	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"363195"	345.103801	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"346590"	359.119451	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1495915"	209.066651	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"972215"	217.032951	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"121484"	185.022202	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"562137"	260.048602	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1032031"	109.995802	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1247235"	228.971685	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1316249"	231.027672	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1323537"	253.009629	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"924806"	263.038386	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1293857"	299.015064	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1369830"	115.040124	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1397538"	133.0501	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"288108"	301.112876	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"682715"	451.165676	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1351769"	151.060076	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"125991"	151.060076	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"572607"	226.086476	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1037513"	76.033676	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"207116"	101.042476	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"645218"	151.060076	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1167358"	51.024876	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"428439"	318.139423	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"789077"	468.192223	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1684315"	168.086623	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"334050"	159.5733495	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"737417"	234.5997495	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1485408"	84.5469495	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"400805"	323.094818	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"763984"	473.147618	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1613176"	173.042018	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"328219"	162.051047	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"721245"	237.077447	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1475432"	87.024647	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1067336"	58.35219	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1269861"	183.086286	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"389528"	339.068758	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"751983"	489.121558	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1553667"	189.015958	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"311937"	170.038017	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"701075"	245.064417	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1449427"	95.011617	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"241305"	342.139426	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1217295"	192.086626	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1198991"	96.546951	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"191864"	345.07676	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"632516"	495.12956	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1137117"	195.02396	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"176032"	173.042018	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"615595"	248.068418	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1123479"	98.015618	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1408096"	65.679504	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1435838"	197.065546	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"231737"	178.07504	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1517974"	211.11759	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"412192"	181.028988	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"774281"	256.055388	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1670612"	106.002588	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"257129"	364.121368	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1230932"	214.068568	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1719819"	214.092093	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1193561"	73.006818	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1662727"	219.047488	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"167401"	377.02464	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"609148"	527.07744	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1088195"	226.97184	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"148290"	189.015958	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"586029"	264.042358	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1080020"	113.989558	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1104481"	228.986392	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1348523"	229.074007	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1013775"	233.113176	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1532994"	234.106808	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"993610"	117.060226	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1591759"	235.021428	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1427630"	265.052938	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1160830"	137.573501	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1709287"	282.079485	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1643845"	287.03488	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1581682"	303.00882	"C20569"	"beta-L-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"805487"	282.0951	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M"	0
"976101"	263.07671	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-H2O-H"	-19.01839
"65074"	187.056124	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M-3H"	-3.021828
"510100"	281.087824	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M-3H"	-3.021828
"892280"	93.024424	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-3H"	-3.021828
"10854"	281.087824	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M-2H"	-2.014552
"451507"	422.135374	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M-2H"	-2.014552
"829307"	140.040274	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-2H"	-2.014552
"91484"	563.182924	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M-H"	-1.007276
"524491"	845.278024	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M-H"	-1.007276
"900104"	281.087824	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-H"	-1.007276
"52291"	580.209471	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M-2H+NH4"	16.019271
"495132"	862.304571	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M-2H+NH4"	16.019271
"872932"	298.114371	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-2H+NH4"	16.019271
"41932"	585.164866	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M-2H+Na"	20.974666
"483680"	867.259966	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M-2H+Na"	20.974666
"850919"	303.069766	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-2H+Na"	20.974666
"1622274"	303.069766	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Na-2H"	20.974666
"97709"	299.076163	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M-H+Cl"	33.962126
"537270"	440.123713	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M-H+Cl"	33.962126
"930786"	158.028613	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-H+Cl"	33.962126
"271894"	599.159602	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+Cl"	34.969402
"670513"	881.254702	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+Cl"	34.969402
"1278545"	317.064502	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Cl"	34.969402
"18913"	601.138806	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M-2H+K"	36.948606
"456764"	883.233906	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M-2H+K"	36.948606
"833957"	319.043706	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-2H+K"	36.948606
"1557939"	319.043706	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+K-2H"	36.948606
"946187"	327.093294	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-H+HCOOH"	44.998194
"362697"	609.188401	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+HCOOH-H"	44.998201
"346944"	623.204051	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+Hac-H"	59.013851
"1496389"	341.108951	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Hac-H"	59.013851
"971961"	349.075251	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-H+NaCOOH"	66.980151
"123781"	317.064502	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+2Cl"	69.938804
"564434"	458.112052	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+2Cl"	69.938804
"1029954"	176.016952	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2Cl"	69.938804
"1249532"	361.013985	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Br"	78.918885
"1310890"	363.069972	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Cl+HCOOH"	80.974872
"1324739"	385.051929	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Cl+NaCOOH"	102.956829
"923459"	395.080686	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M-H+CF3COOH"	112.985586
"1293967"	431.057364	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Cl+CF3COOH"	148.962264
"1371033"	247.082424	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H-2H2O"	-35.012676
"1397892"	265.0924	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H-H2O"	-17.0027
"290405"	565.197476	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+H"	1.007276
"682825"	847.292576	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+H"	1.007276
"1352000"	283.102376	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H"	1.007276
"127679"	283.102376	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+2H"	2.014552
"571624"	424.149926	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+2H"	2.014552
"1037743"	142.054826	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2H"	2.014552
"205160"	189.070676	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+3H"	3.021828
"645448"	283.102376	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+3H"	3.021828
"1166739"	95.038976	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+3H"	3.021828
"427457"	582.224023	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+NH4"	18.033823
"789187"	864.319123	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+NH4"	18.033823
"1685518"	300.128923	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+NH4"	18.033823
"333067"	291.6156495	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+H+NH4"	19.041099
"737163"	432.6631995	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+H+NH4"	19.041099
"1487703"	150.5680995	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H+NH4"	19.041099
"404195"	587.179418	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+Na"	22.989218
"761907"	869.274518	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+Na"	22.989218
"1613286"	305.084318	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Na"	22.989218
"329424"	294.093347	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+H+Na"	23.996494
"722086"	435.140897	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+H+Na"	23.996494
"1476276"	153.045797	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H+Na"	23.996494
"1066106"	102.36629	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2H+Na"	25.00377
"1269971"	315.128586	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+CH3OH+H"	33.033486
"390367"	603.153358	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+K"	38.963158
"751728"	885.248458	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+K"	38.963158
"1553776"	321.058258	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+K"	38.963158
"310952"	302.080317	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+H+K"	39.970434
"700092"	443.127867	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+H+K"	39.970434
"1448805"	161.032767	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H+K"	39.970434
"241415"	606.224026	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+ACN+H"	42.033826
"1218499"	324.128926	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+ACN+H"	42.033826
"1202381"	162.568101	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+ACN+2H"	43.041102
"194160"	609.16136	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+2Na-H"	44.97116
"635906"	891.25646	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+2Na-H"	44.97116
"1138320"	327.06626	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2Na-H"	44.97116
"178329"	305.084318	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+2Na"	45.978436
"617526"	446.131868	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+2Na"	45.978436
"1124682"	164.036768	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2Na"	45.978436
"1403829"	109.693604	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H+2Na"	46.985712
"1434854"	329.107846	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H+HCOOH"	47.012746
"232210"	310.11734	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+3H2O+2H"	56.04448
"1519177"	343.15989	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+IsoProp+H"	61.06479
"416674"	313.071288	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+Na+K"	61.952376
"778763"	454.118838	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+Na+K"	61.952376
"1674001"	172.023738	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Na+K"	61.952376
"260519"	628.205968	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+ACN+Na"	64.015768
"1233228"	346.110868	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+ACN+Na"	64.015768
"1722114"	346.134393	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+NH4+HCOOH"	64.039293
"1180176"	117.020918	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+3Na"	68.967654
"1651285"	351.089788	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Na+HCOOH"	68.994688
"158748"	641.10924	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+2K-H"	76.91904
"605977"	923.20434	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+2K-H"	76.91904
"1088305"	359.01414	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2K-H"	76.91904
"150587"	321.058258	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"2M+2K"	77.926316
"585775"	462.105808	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"3M+2K"	77.926316
"1079037"	180.010708	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2K"	77.926316
"1103498"	361.028692	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2K+H"	78.933592
"1349850"	361.116307	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+DMSO+H"	79.021207
"1012792"	365.155476	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2ACN+H"	83.060376
"1535291"	366.149108	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+IsoProp+Na+H"	84.054008
"993356"	183.081376	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+2ACN+2H"	84.067652
"1590776"	367.063728	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+K+HCOOH"	84.968628
"1428467"	397.095238	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+H+CF3COOH"	115.000138
"1155473"	203.594651	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+3ACN+2H"	125.094202
"1706117"	414.121785	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+NH4+CF3COOH"	132.026685
"1640675"	419.07718	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+Na+CF3COOH"	136.98208
"1581792"	435.05112	"C20570"	"alpha-15-L-Arabinobiose"	"C10H18O9"	"282.0951"	"M+K+CF3COOH"	152.95602
"805597"	414.1373	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M"	0
"974627"	395.11891	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-H2O-H"	-19.01839
"64453"	275.084257333333	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M-3H"	-3.021828
"508023"	413.130024	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M-3H"	-3.021828
"889110"	137.038490666667	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-3H"	-3.021828
"5497"	413.130024	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M-2H"	-2.014552
"450524"	620.198674	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M-2H"	-2.014552
"829417"	206.061374	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-2H"	-2.014552
"87220"	827.267324	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M-H"	-1.007276
"524601"	1241.404624	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M-H"	-1.007276
"898028"	413.130024	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-H"	-1.007276
"52401"	844.293871	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M-2H+NH4"	16.019271
"491962"	1258.431171	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M-2H+NH4"	16.019271
"870856"	430.156571	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-2H+NH4"	16.019271
"39856"	849.249266	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M-2H+Na"	20.974666
"483427"	1263.386566	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M-2H+Na"	20.974666
"851758"	435.111966	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-2H+Na"	20.974666
"1624569"	435.111966	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Na-2H"	20.974666
"101096"	431.118363	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M-H+Cl"	33.962126
"537380"	638.187013	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M-H+Cl"	33.962126
"931989"	224.049713	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-H+Cl"	33.962126
"271640"	863.244002	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+Cl"	34.969402
"670623"	1277.381302	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+Cl"	34.969402
"1279748"	449.106702	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Cl"	34.969402
"22303"	865.223206	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M-2H+K"	36.948606
"459311"	1279.360506	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M-2H+K"	36.948606
"836018"	451.085906	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-2H+K"	36.948606
"1556338"	451.085906	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+K-2H"	36.948606
"946660"	459.135494	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-H+HCOOH"	44.998194
"362443"	873.272801	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+HCOOH-H"	44.998201
"346569"	887.288451	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+Hac-H"	59.013851
"1494674"	473.151151	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Hac-H"	59.013851
"973043"	481.117451	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-H+NaCOOH"	66.980151
"125272"	449.106702	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+2Cl"	69.938804
"564543"	656.175352	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+2Cl"	69.938804
"1032251"	242.038052	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2Cl"	69.938804
"1247818"	493.056185	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Br"	78.918885
"1314280"	495.112172	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Cl+HCOOH"	80.974872
"1330684"	517.094129	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Cl+NaCOOH"	102.956829
"925390"	527.122886	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M-H+CF3COOH"	112.985586
"1300274"	563.099564	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Cl+CF3COOH"	148.962264
"1376611"	379.124624	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H-2H2O"	-35.012676
"1397965"	397.1346	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H-H2O"	-17.0027
"296348"	829.281876	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+H"	1.007276
"681843"	1243.419176	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+H"	1.007276
"1357095"	415.144576	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H"	1.007276
"127308"	415.144576	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+2H"	2.014552
"572827"	622.213226	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+2H"	2.014552
"1037733"	208.075926	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2H"	2.014552
"205999"	277.098809333333	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+3H"	3.021828
"644829"	415.144576	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+3H"	3.021828
"1166122"	139.053042666667	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+3H"	3.021828
"427205"	846.308423	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+NH4"	18.033823
"790390"	1260.445723	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+NH4"	18.033823
"1685628"	432.171123	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+NH4"	18.033823
"333905"	423.6578495	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+H+NH4"	19.041099
"736177"	630.7264995	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+H+NH4"	19.041099
"1482345"	216.5891995	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H+NH4"	19.041099
"399930"	851.263818	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+Na"	22.989218
"756550"	1265.401118	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+Na"	22.989218
"1610115"	437.126518	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Na"	22.989218
"329048"	426.135547	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+H+Na"	23.996494
"722361"	633.204197	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+H+Na"	23.996494
"1476708"	219.066897	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H+Na"	23.996494
"1067311"	146.380356666667	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2H+Na"	25.00377
"1270080"	447.170786	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+CH3OH+H"	33.033486
"389383"	867.237758	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+K"	38.963158
"751838"	1281.375058	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+K"	38.963158
"1551699"	453.100458	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+K"	38.963158
"304502"	434.122517	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+H+K"	39.970434
"693641"	641.191167	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+H+K"	39.970434
"1447821"	227.053867	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H+K"	39.970434
"239339"	870.308426	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+ACN+H"	42.033826
"1212412"	456.171126	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+ACN+H"	42.033826
"1199211"	228.589201	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+ACN+2H"	43.041102
"194270"	873.24576	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+2Na-H"	44.97116
"636018"	1287.38306	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+2Na-H"	44.97116
"1139523"	459.10846	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2Na-H"	44.97116
"180628"	437.126518	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+2Na"	45.978436
"615815"	644.195168	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+2Na"	45.978436
"1124792"	230.057868	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2Na"	45.978436
"1402846"	153.707670666667	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H+2Na"	46.985712
"1436057"	461.150046	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H+HCOOH"	47.012746
"234142"	442.15954	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+3H2O+2H"	56.04448
"1521473"	475.20209	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+IsoProp+H"	61.06479
"415691"	445.113488	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+Na+K"	61.952376
"778873"	652.182138	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+Na+K"	61.952376
"1675204"	238.044838	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Na+K"	61.952376
"260629"	892.290368	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+ACN+Na"	64.015768
"1233338"	478.153068	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+ACN+Na"	64.015768
"1721131"	478.176593	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+NH4+HCOOH"	64.039293
"1181017"	161.034984666667	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+3Na"	68.967654
"1650910"	483.131988	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Na+HCOOH"	68.994688
"158371"	905.19364	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+2K-H"	76.91904
"611555"	1319.33094	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+2K-H"	76.91904
"1090601"	491.05634	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2K-H"	76.91904
"152883"	453.100458	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"2M+2K"	77.926316
"590256"	660.169108	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"3M+2K"	77.926316
"1080240"	246.031808	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2K"	77.926316
"1106888"	493.070892	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2K+H"	78.933592
"1349960"	493.158507	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+DMSO+H"	79.021207
"1019463"	497.197676	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2ACN+H"	83.060376
"1538561"	498.191308	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+IsoProp+Na+H"	84.054008
"993102"	249.102476	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+2ACN+2H"	84.067652
"1590886"	499.105928	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+K+HCOOH"	84.968628
"1428576"	529.137438	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+H+CF3COOH"	115.000138
"1158863"	269.615751	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+3ACN+2H"	125.094202
"1707320"	546.163985	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+NH4+CF3COOH"	132.026685
"1640785"	551.11938	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+Na+CF3COOH"	136.98208
"1581902"	567.09332	"C20571"	"alpha-15-L-Arabinotriose"	"C15H26O13"	"414.1373"	"M+K+CF3COOH"	152.95602
"808987"	546.1796	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M"	0
"974498"	527.16121	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-H2O-H"	-19.01839
"65293"	363.112457333333	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M-3H"	-3.021828
"508133"	545.172324	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M-3H"	-3.021828
"889219"	181.052590666667	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-3H"	-3.021828
"5607"	545.172324	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M-2H"	-2.014552
"450634"	818.262124	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M-2H"	-2.014552
"827341"	272.082524	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-2H"	-2.014552
"87330"	1091.351924	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M-H"	-1.007276
"523618"	1637.531524	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M-H"	-1.007276
"898502"	545.172324	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-H"	-1.007276
"53603"	1108.378471	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M-2H+NH4"	16.019271
"491342"	1654.558071	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M-2H+NH4"	16.019271
"869874"	562.198871	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-2H+NH4"	16.019271
"39966"	1113.333866	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M-2H+Na"	20.974666
"484994"	1659.513466	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M-2H+Na"	20.974666
"850775"	567.154266	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-2H+Na"	20.974666
"1621401"	567.154266	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Na-2H"	20.974666
"96836"	563.160663	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M-H+Cl"	33.962126
"541865"	836.250463	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M-H+Cl"	33.962126
"932100"	290.070863	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-H+Cl"	33.962126
"272845"	1127.328602	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+Cl"	34.969402
"669640"	1673.508202	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+Cl"	34.969402
"1279858"	581.149002	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Cl"	34.969402
"20227"	1129.307806	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M-2H+K"	36.948606
"458693"	1675.487406	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M-2H+K"	36.948606
"835035"	583.128206	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-2H+K"	36.948606
"1555776"	583.128206	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+K-2H"	36.948606
"944584"	591.177794	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-H+HCOOH"	44.998194
"362067"	1137.357401	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+HCOOH-H"	44.998201
"345908"	1151.373051	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+Hac-H"	59.013851
"1494056"	605.193451	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Hac-H"	59.013851
"971812"	613.159751	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-H+NaCOOH"	66.980151
"117439"	581.149002	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+2Cl"	69.938804
"564653"	854.238802	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+2Cl"	69.938804
"1026528"	308.059202	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2Cl"	69.938804
"1247928"	625.098485	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Br"	78.918885
"1308556"	627.154472	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Cl+HCOOH"	80.974872
"1334685"	649.136429	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Cl+NaCOOH"	102.956829
"925134"	659.165186	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M-H+CF3COOH"	112.985586
"1300384"	695.141864	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Cl+CF3COOH"	148.962264
"1376721"	511.166924	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H-2H2O"	-35.012676
"1398389"	529.1769	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H-H2O"	-17.0027
"295730"	1093.366476	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+H"	1.007276
"680860"	1639.546076	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+H"	1.007276
"1356112"	547.186876	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H"	1.007276
"126690"	547.186876	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+2H"	2.014552
"572937"	820.276676	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+2H"	2.014552
"1037235"	274.097076	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2H"	2.014552
"204813"	365.127009333333	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+3H"	3.021828
"644941"	547.186876	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+3H"	3.021828
"1168418"	183.067142666667	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+3H"	3.021828
"427315"	1110.393023	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+NH4"	18.033823
"789407"	1656.572623	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+NH4"	18.033823
"1682458"	564.213423	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+NH4"	18.033823
"334015"	555.7001495	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+H+NH4"	19.041099
"730813"	828.7899495	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+H+NH4"	19.041099
"1485731"	282.6103495	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H+NH4"	19.041099
"400040"	1115.348418	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+Na"	22.989218
"756293"	1661.528018	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+Na"	22.989218
"1606946"	569.168818	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Na"	22.989218
"328666"	558.177847	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+H+Na"	23.996494
"719265"	831.267647	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+H+Na"	23.996494
"1476325"	285.088047	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H+Na"	23.996494
"1067542"	190.394456666667	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2H+Na"	25.00377
"1269096"	579.213086	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+CH3OH+H"	33.033486
"390950"	1131.322358	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+K"	38.963158
"750854"	1677.501958	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+K"	38.963158
"1548529"	585.142758	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+K"	38.963158
"305705"	566.164817	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+H+K"	39.970434
"693750"	839.254617	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+H+K"	39.970434
"1446475"	293.075017	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H+K"	39.970434
"237263"	1134.393026	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+ACN+H"	42.033826
"1213252"	588.213426	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+ACN+H"	42.033826
"1196405"	294.610351	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+ACN+2H"	43.041102
"191100"	1137.33036	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+2Na-H"	44.97116
"632848"	1683.50996	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+2Na-H"	44.97116
"1138540"	591.15076	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2Na-H"	44.97116
"176366"	569.168818	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+2Na"	45.978436
"615925"	842.258618	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+2Na"	45.978436
"1118341"	296.079018	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2Na"	45.978436
"1402955"	197.721770666667	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H+2Na"	46.985712
"1432883"	593.192346	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H+HCOOH"	47.012746
"230243"	574.20184	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+3H2O+2H"	56.04448
"1518302"	607.24439	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+IsoProp+H"	61.06479
"416894"	577.155788	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+Na+K"	61.952376
"778983"	850.245588	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+Na+K"	61.952376
"1674949"	304.065988	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Na+K"	61.952376
"260375"	1156.374968	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+ACN+Na"	64.015768
"1233448"	610.195368	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+ACN+Na"	64.015768
"1717960"	610.218893	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+NH4+HCOOH"	64.039293
"1180395"	205.049084666667	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+3Na"	68.967654
"1651383"	615.174288	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Na+HCOOH"	68.994688
"158603"	1169.27824	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+2K-H"	76.91904
"599629"	1715.45784	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+2K-H"	76.91904
"1095078"	623.09864	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2K-H"	76.91904
"149713"	585.142758	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"2M+2K"	77.926316
"590366"	858.232558	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"3M+2K"	77.926316
"1078163"	312.052958	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2K"	77.926316
"1106998"	625.113192	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2K+H"	78.933592
"1350677"	625.200807	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+DMSO+H"	79.021207
"1019452"	629.239976	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2ACN+H"	83.060376
"1539401"	630.233608	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+IsoProp+Na+H"	84.054008
"994305"	315.123626	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+2ACN+2H"	84.067652
"1592089"	631.148228	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+K+HCOOH"	84.968628
"1429415"	661.179738	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+H+CF3COOH"	115.000138
"1155693"	335.636901	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+3ACN+2H"	125.094202
"1706337"	678.206285	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+NH4+CF3COOH"	132.026685
"1640895"	683.16168	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+Na+CF3COOH"	136.98208
"1582012"	699.13562	"C20572"	"alpha-15-L-Arabinotetraose"	"C20H34O17"	"546.1796"	"M+K+CF3COOH"	152.95602
"809097"	604.1851	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M"	0
"974974"	585.16671	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-H2O-H"	-19.01839
"69777"	401.782790666667	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M-3H"	-3.021828
"511523"	603.177824	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M-3H"	-3.021828
"891880"	200.387757333333	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-3H"	-3.021828
"14466"	603.177824	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M-2H"	-2.014552
"452931"	905.270374	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M-2H"	-2.014552
"828544"	301.085274	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-2H"	-2.014552
"89627"	1207.362924	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M-H"	-1.007276
"523728"	1811.548024	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M-H"	-1.007276
"901528"	603.177824	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-H"	-1.007276
"52984"	1224.389471	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M-2H+NH4"	16.019271
"495462"	1828.574571	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M-2H+NH4"	16.019271
"872171"	620.204371	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-2H+NH4"	16.019271
"38983"	1229.344866	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M-2H+Na"	20.974666
"483648"	1833.529966	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M-2H+Na"	20.974666
"853071"	625.159766	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-2H+Na"	20.974666
"1623698"	625.159766	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Na-2H"	20.974666
"100226"	621.166163	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M-H+Cl"	33.962126
"539788"	923.258713	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M-H+Cl"	33.962126
"933303"	319.073613	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-H+Cl"	33.962126
"281583"	1243.339602	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+Cl"	34.969402
"669750"	1847.524702	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+Cl"	34.969402
"1282155"	639.154502	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Cl"	34.969402
"23617"	1245.318806	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M-2H+K"	36.948606
"460992"	1849.503906	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M-2H+K"	36.948606
"835876"	641.133706	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-2H+K"	36.948606
"1556444"	641.133706	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+K-2H"	36.948606
"946880"	649.183294	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-H+HCOOH"	44.998194
"364364"	1253.368401	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+HCOOH-H"	44.998201
"346791"	1267.384051	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+Hac-H"	59.013851
"1500000"	663.198951	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Hac-H"	59.013851
"968641"	671.165251	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-H+NaCOOH"	66.980151
"116454"	639.154502	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+2Cl"	69.938804
"558202"	941.247052	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+2Cl"	69.938804
"1032470"	337.061952	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2Cl"	69.938804
"1248038"	683.103985	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Br"	78.918885
"1305020"	685.159972	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Cl+HCOOH"	80.974872
"1333457"	707.141929	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Cl+NaCOOH"	102.956829
"923056"	717.170686	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M-H+CF3COOH"	112.985586
"1294297"	753.147364	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Cl+CF3COOH"	148.962264
"1375738"	569.172424	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H-2H2O"	-35.012676
"1398409"	587.1824	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H-H2O"	-17.0027
"296204"	1209.377476	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+H"	1.007276
"680970"	1813.562576	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+H"	1.007276
"1354036"	605.192376	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H"	1.007276
"126922"	605.192376	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+2H"	2.014552
"566241"	907.284926	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+2H"	2.014552
"1038561"	303.099826	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2H"	2.014552
"205735"	403.797342666667	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+3H"	3.021828
"644928"	605.192376	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+3H"	3.021828
"1167435"	202.402309333333	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+3H"	3.021828
"429612"	1226.404023	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+NH4"	18.033823
"787331"	1830.589123	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+NH4"	18.033823
"1684754"	622.218923	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+NH4"	18.033823
"333032"	613.7056495	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+H+NH4"	19.041099
"725456"	915.7981995	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+H+NH4"	19.041099
"1480369"	311.6130995	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H+NH4"	19.041099
"401244"	1231.359418	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+Na"	22.989218
"757862"	1835.544518	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+Na"	22.989218
"1610335"	627.174318	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Na"	22.989218
"329750"	616.183347	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+H+Na"	23.996494
"722296"	918.275897	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+H+Na"	23.996494
"1476885"	314.090797	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H+Na"	23.996494
"1068430"	209.729623333333	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2H+Na"	25.00377
"1271639"	637.218586	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+CH3OH+H"	33.033486
"391426"	1247.333358	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+K"	38.963158
"752424"	1851.518458	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+K"	38.963158
"1554107"	643.148258	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+K"	38.963158
"310190"	624.170317	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+H+K"	39.970434
"696048"	926.262867	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+H+K"	39.970434
"1447679"	322.077767	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H+K"	39.970434
"240652"	1250.404026	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+ACN+H"	42.033826
"1216640"	646.218926	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+ACN+H"	42.033826
"1197972"	323.613101	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+ACN+2H"	43.041102
"193396"	1253.34136	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+2Na-H"	44.97116
"633321"	1857.52646	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+2Na-H"	44.97116
"1139744"	649.15626	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2Na-H"	44.97116
"177931"	627.174318	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+2Na"	45.978436
"619315"	929.266868	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+2Na"	45.978436
"1119544"	325.081768	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2Na"	45.978436
"1404159"	217.056937333333	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H+2Na"	46.985712
"1436273"	651.197846	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H+HCOOH"	47.012746
"233268"	632.20734	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+3H2O+2H"	56.04448
"1518412"	665.24989	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+IsoProp+H"	61.06479
"419191"	635.161288	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+Na+K"	61.952376
"779093"	937.253838	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+Na+K"	61.952376
"1676153"	333.068738	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Na+K"	61.952376
"260121"	1272.385968	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+ACN+Na"	64.015768
"1233558"	668.200868	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+ACN+Na"	64.015768
"1721350"	668.224393	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+NH4+HCOOH"	64.039293
"1182330"	224.384251333333	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+3Na"	68.967654
"1652223"	673.179788	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Na+HCOOH"	68.994688
"158231"	1285.28924	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+2K-H"	76.91904
"599739"	1889.47434	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+2K-H"	76.91904
"1096281"	681.10414	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2K-H"	76.91904
"149822"	643.148258	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"2M+2K"	77.926316
"593756"	945.240808	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"3M+2K"	77.926316
"1072072"	341.055708	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2K"	77.926316
"1104919"	683.118692	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2K+H"	78.933592
"1350869"	683.206307	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+DMSO+H"	79.021207
"1016403"	687.245476	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2ACN+H"	83.060376
"1538781"	688.239108	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+IsoProp+Na+H"	84.054008
"994415"	344.126376	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+2ACN+2H"	84.067652
"1591106"	689.153728	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+K+HCOOH"	84.968628
"1429526"	719.185238	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+H+CF3COOH"	115.000138
"1155803"	364.639651	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+3ACN+2H"	125.094202
"1704260"	736.211785	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+NH4+CF3COOH"	132.026685
"1642098"	741.16718	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+Na+CF3COOH"	136.98208
"1582122"	757.14112	"C20573"	"Aldotetraouronic acid"	"C22H36O19"	"604.1851"	"M+K+CF3COOH"	152.95602
"811395"	368.0896	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M"	0
"979459"	349.07121	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-H2O-H"	-19.01839
"64420"	244.385790666667	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M-3H"	-3.021828
"508352"	367.082324	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M-3H"	-3.021828
"889437"	121.689257333333	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-3H"	-3.021828
"6920"	367.082324	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M-2H"	-2.014552
"447573"	551.127124	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M-2H"	-2.014552
"831934"	183.037524	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-2H"	-2.014552
"88644"	735.171924	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M-H"	-1.007276
"526024"	1103.261524	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M-H"	-1.007276
"902731"	367.082324	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-H"	-1.007276
"54914"	752.198471	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M-2H+NH4"	16.019271
"493747"	1120.288071	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M-2H+NH4"	16.019271
"873371"	384.108871	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-2H+NH4"	16.019271
"37993"	757.153866	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M-2H+Na"	20.974666
"481937"	1125.243466	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M-2H+Na"	20.974666
"849899"	389.064266	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-2H+Na"	20.974666
"1619430"	389.064266	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Na-2H"	20.974666
"94290"	385.070663	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M-H+Cl"	33.962126
"537710"	569.115463	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M-H+Cl"	33.962126
"930131"	201.025863	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-H+Cl"	33.962126
"279262"	771.148602	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+Cl"	34.969402
"668767"	1139.238202	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+Cl"	34.969402
"1274003"	403.059002	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Cl"	34.969402
"17166"	773.127806	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M-2H+K"	36.948606
"456400"	1141.217406	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M-2H+K"	36.948606
"832938"	405.038206	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-2H+K"	36.948606
"1557282"	405.038206	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+K-2H"	36.948606
"944076"	413.087794	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-H+HCOOH"	44.998194
"365203"	781.177401	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+HCOOH-H"	44.998201
"346899"	795.193051	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+Hac-H"	59.013851
"1496830"	427.103451	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Hac-H"	59.013851
"960001"	435.069751	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-H+NaCOOH"	66.980151
"111460"	403.059002	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+2Cl"	69.938804
"551020"	587.103802	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+2Cl"	69.938804
"1026748"	219.014202	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2Cl"	69.938804
"1247420"	447.008485	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Br"	78.918885
"1304261"	449.064472	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Cl+HCOOH"	80.974872
"1320352"	471.046429	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Cl+NaCOOH"	102.956829
"911857"	481.075186	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M-H+CF3COOH"	112.985586
"1289291"	517.051864	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Cl+CF3COOH"	148.962264
"1367697"	333.076924	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H-2H2O"	-35.012676
"1397237"	351.0869	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H-H2O"	-17.0027
"295950"	737.186476	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+H"	1.007276
"681080"	1105.276076	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+H"	1.007276
"1354510"	369.096876	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H"	1.007276
"127032"	369.096876	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+2H"	2.014552
"566835"	553.141676	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+2H"	2.014552
"1039401"	185.052076	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2H"	2.014552
"207668"	246.400342666667	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+3H"	3.021828
"647956"	369.096876	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+3H"	3.021828
"1169730"	123.703809333333	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+3H"	3.021828
"430815"	754.213023	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+NH4"	18.033823
"789622"	1122.302623	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+NH4"	18.033823
"1685953"	386.123423	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+NH4"	18.033823
"335328"	377.6101495	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+H+NH4"	19.041099
"727752"	561.6549495	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+H+NH4"	19.041099
"1481572"	193.5653495	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H+NH4"	19.041099
"395879"	759.168418	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+Na"	22.989218
"757967"	1127.258018	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+Na"	22.989218
"1606064"	391.078818	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Na"	22.989218
"320484"	380.087847	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+H+Na"	23.996494
"721189"	564.132647	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+H+Na"	23.996494
"1475375"	196.043047	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H+Na"	23.996494
"1067041"	131.031123333333	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2H+Na"	25.00377
"1270655"	401.123086	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+CH3OH+H"	33.033486
"390443"	775.142358	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+K"	38.963158
"752655"	1143.231958	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+K"	38.963158
"1550937"	407.052758	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+K"	38.963158
"308113"	388.074817	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+H+K"	39.970434
"695065"	572.119617	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+H+K"	39.970434
"1448881"	204.030017	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H+K"	39.970434
"241125"	778.213026	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+ACN+H"	42.033826
"1215657"	410.123426	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+ACN+H"	42.033826
"1199540"	205.565351	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+ACN+2H"	43.041102
"193506"	781.15036	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+2Na-H"	44.97116
"634160"	1149.23996	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+2Na-H"	44.97116
"1140946"	413.06076	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2Na-H"	44.97116
"179863"	391.078818	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+2Na"	45.978436
"618332"	575.123618	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+2Na"	45.978436
"1123662"	207.034018	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2Na"	45.978436
"1406455"	138.358437333333	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H+2Na"	46.985712
"1436383"	415.102346	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H+HCOOH"	47.012746
"232650"	396.11184	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+3H2O+2H"	56.04448
"1517429"	429.15439	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+IsoProp+H"	61.06479
"418937"	399.065788	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+Na+K"	61.952376
"779203"	583.110588	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+Na+K"	61.952376
"1675170"	215.020988	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Na+K"	61.952376
"260231"	800.194968	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+ACN+Na"	64.015768
"1232575"	432.105368	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+ACN+Na"	64.015768
"1720368"	432.128893	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+NH4+HCOOH"	64.039293
"1184626"	145.685751333333	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+3Na"	68.967654
"1654519"	437.084288	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Na+HCOOH"	68.994688
"161378"	813.09824	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+2K-H"	76.91904
"598511"	1181.18784	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+2K-H"	76.91904
"1095298"	445.00864	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2K-H"	76.91904
"144459"	407.052758	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"2M+2K"	77.926316
"587306"	591.097558	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"3M+2K"	77.926316
"1071817"	223.007958	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2K"	77.926316
"1106122"	447.023192	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2K+H"	78.933592
"1349439"	447.110807	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+DMSO+H"	79.021207
"1012139"	451.149976	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2ACN+H"	83.060376
"1533545"	452.143608	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+IsoProp+Na+H"	84.054008
"994525"	226.078626	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+2ACN+2H"	84.067652
"1587447"	453.058228	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+K+HCOOH"	84.968628
"1427812"	483.089738	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+H+CF3COOH"	115.000138
"1153725"	246.591901	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+3ACN+2H"	125.094202
"1697021"	500.116285	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+NH4+CF3COOH"	132.026685
"1642208"	505.07168	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+Na+CF3COOH"	136.98208
"1582232"	521.04562	"C20574"	"(1S5S)-Averufin"	"C20H16O7"	"368.0896"	"M+K+CF3COOH"	152.95602
"809317"	340.0583	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M"	0
"974827"	321.03991	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-H2O-H"	-19.01839
"64165"	225.698257333333	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M-3H"	-3.021828
"508463"	339.051024	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M-3H"	-3.021828
"889547"	112.345490666667	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-3H"	-3.021828
"8124"	339.051024	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M-2H"	-2.014552
"449870"	509.080174	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M-2H"	-2.014552
"826577"	169.021874	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-2H"	-2.014552
"84381"	679.109324	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M-H"	-1.007276
"523947"	1019.167624	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M-H"	-1.007276
"901747"	339.051024	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-H"	-1.007276
"52839"	696.135871	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M-2H+NH4"	16.019271
"491304"	1036.194171	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M-2H+NH4"	16.019271
"866553"	356.077571	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-2H+NH4"	16.019271
"37009"	701.091266	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M-2H+Na"	20.974666
"484234"	1041.149566	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M-2H+Na"	20.974666
"850009"	361.032966	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-2H+Na"	20.974666
"1620634"	361.032966	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Na-2H"	20.974666
"94773"	357.039363	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M-H+Cl"	33.962126
"536727"	527.068513	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M-H+Cl"	33.962126
"931334"	187.010213	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-H+Cl"	33.962126
"273173"	715.086002	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+Cl"	34.969402
"669970"	1055.144302	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+Cl"	34.969402
"1280188"	375.027702	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Cl"	34.969402
"20556"	717.065206	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M-2H+K"	36.948606
"458052"	1057.123506	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M-2H+K"	36.948606
"833660"	377.006906	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-2H+K"	36.948606
"1556419"	377.006906	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+K-2H"	36.948606
"944911"	385.056494	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-H+HCOOH"	44.998194
"364220"	725.114801	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+HCOOH-H"	44.998201
"348466"	739.130451	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+Hac-H"	59.013851
"1495479"	399.072151	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Hac-H"	59.013851
"959988"	407.038451	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-H+NaCOOH"	66.980151
"114122"	375.027702	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+2Cl"	69.938804
"551859"	545.056852	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+2Cl"	69.938804
"1028317"	204.998552	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2Cl"	69.938804
"1246437"	418.977185	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Br"	78.918885
"1304386"	421.033172	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Cl+HCOOH"	80.974872
"1320425"	443.015129	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Cl+NaCOOH"	102.956829
"914155"	453.043886	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M-H+CF3COOH"	112.985586
"1288875"	489.020564	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Cl+CF3COOH"	148.962264
"1369753"	305.045624	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H-2H2O"	-35.012676
"1397832"	323.0556	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H-H2O"	-17.0027
"296424"	681.123876	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+H"	1.007276
"681190"	1021.182176	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+H"	1.007276
"1354256"	341.065576	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H"	1.007276
"128600"	341.065576	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+2H"	2.014552
"567432"	511.094726	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+2H"	2.014552
"1039147"	171.036426	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2H"	2.014552
"212881"	227.712809333333	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+3H"	3.021828
"646247"	341.065576	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+3H"	3.021828
"1169841"	114.360042666667	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+3H"	3.021828
"432019"	698.150423	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+NH4"	18.033823
"791919"	1038.208723	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+NH4"	18.033823
"1686429"	358.092123	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+NH4"	18.033823
"332158"	349.5788495	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+H+NH4"	19.041099
"726769"	519.6079995	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+H+NH4"	19.041099
"1480588"	179.5496995	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H+NH4"	19.041099
"394896"	703.105818	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+Na"	22.989218
"758077"	1043.164118	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+Na"	22.989218
"1606174"	363.047518	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Na"	22.989218
"316220"	352.056547	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+H+Na"	23.996494
"721664"	522.085697	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+H+Na"	23.996494
"1476333"	182.027397	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H+Na"	23.996494
"1068115"	121.687356666667	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2H+Na"	25.00377
"1271615"	373.091786	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+CH3OH+H"	33.033486
"391645"	719.079758	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+K"	38.963158
"751182"	1059.138058	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+K"	38.963158
"1551047"	379.021458	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+K"	38.963158
"307130"	360.043517	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+H+K"	39.970434
"696268"	530.072667	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+H+K"	39.970434
"1448991"	190.014367	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H+K"	39.970434
"240142"	722.150426	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+ACN+H"	42.033826
"1215767"	382.092126	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+ACN+H"	42.033826
"1201834"	191.549701	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+ACN+2H"	43.041102
"197987"	725.08776	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+2Na-H"	44.97116
"636454"	1065.14606	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+2Na-H"	44.97116
"1138865"	385.02946	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2Na-H"	44.97116
"181066"	363.047518	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+2Na"	45.978436
"618441"	533.076668	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+2Na"	45.978436
"1125231"	193.018368	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2Na"	45.978436
"1405472"	129.014670666667	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H+2Na"	46.985712
"1434307"	387.071046	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H+HCOOH"	47.012746
"231667"	368.08054	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+3H2O+2H"	56.04448
"1517539"	401.12309	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+IsoProp+H"	61.06479
"419047"	371.034488	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+Na+K"	61.952376
"774939"	541.063638	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+Na+K"	61.952376
"1675279"	201.005338	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Na+K"	61.952376
"261069"	744.132368	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+ACN+Na"	64.015768
"1232685"	404.074068	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+ACN+Na"	64.015768
"1720478"	404.097593	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+NH4+HCOOH"	64.039293
"1182550"	136.341984666667	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+3Na"	68.967654
"1652442"	409.052988	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Na+HCOOH"	68.994688
"158815"	757.03564	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+2K-H"	76.91904
"597891"	1097.09394	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+2K-H"	76.91904
"1095408"	416.97734	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2K-H"	76.91904
"144569"	379.021458	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"2M+2K"	77.926316
"587415"	549.050608	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"3M+2K"	77.926316
"1073021"	208.992308	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2K"	77.926316
"1108419"	418.991892	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2K+H"	78.933592
"1349183"	419.079507	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+DMSO+H"	79.021207
"1013342"	423.118676	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2ACN+H"	83.060376
"1531468"	424.112308	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+IsoProp+Na+H"	84.054008
"992448"	212.062976	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+2ACN+2H"	84.067652
"1588406"	425.026928	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+K+HCOOH"	84.968628
"1426828"	455.058438	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+H+CF3COOH"	115.000138
"1153835"	232.576251	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+3ACN+2H"	125.094202
"1697919"	472.084985	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+NH4+CF3COOH"	132.026685
"1645598"	477.04038	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+Na+CF3COOH"	136.98208
"1582342"	493.01432	"C20575"	"Versicolorin B"	"C18H12O7"	"340.0583"	"M+K+CF3COOH"	152.95602
"806147"	222.1984	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M"	0
"975303"	203.18001	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-H2O-H"	-19.01839
"65733"	147.124990666667	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M-3H"	-3.021828
"503834"	221.191124	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M-3H"	-3.021828
"889657"	73.0588573333333	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-3H"	-3.021828
"6046"	221.191124	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M-2H"	-2.014552
"451073"	332.290324	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M-2H"	-2.014552
"823406"	110.091924	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-2H"	-2.014552
"89958"	443.389524	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M-H"	-1.007276
"528430"	665.587924	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M-H"	-1.007276
"905137"	221.191124	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-H"	-1.007276
"51856"	460.416071	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M-2H+NH4"	16.019271
"493603"	682.614471	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M-2H+NH4"	16.019271
"870309"	238.217671	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-2H+NH4"	16.019271
"37483"	465.371466	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M-2H+Na"	20.974666
"483251"	687.569866	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M-2H+Na"	20.974666
"850119"	243.173066	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-2H+Na"	20.974666
"1620745"	243.173066	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Na-2H"	20.974666
"96183"	239.179463	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M-H+Cl"	33.962126
"539024"	350.278663	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M-H+Cl"	33.962126
"931444"	128.080263	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-H+Cl"	33.962126
"273283"	479.366202	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+Cl"	34.969402
"660967"	701.564602	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+Cl"	34.969402
"1273244"	257.167802	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Cl"	34.969402
"16001"	481.345406	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M-2H+K"	36.948606
"456005"	703.543806	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M-2H+K"	36.948606
"833408"	259.147006	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-2H+K"	36.948606
"1557137"	259.147006	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+K-2H"	36.948606
"943927"	267.196594	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-H+HCOOH"	44.998194
"362144"	489.395001	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+HCOOH-H"	44.998201
"347121"	503.410651	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+Hac-H"	59.013851
"1497048"	281.212251	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Hac-H"	59.013851
"960221"	289.178551	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-H+NaCOOH"	66.980151
"114596"	257.167802	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+2Cl"	69.938804
"551969"	368.267002	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+2Cl"	69.938804
"1024413"	146.068602	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2Cl"	69.938804
"1247276"	301.117285	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Br"	78.918885
"1304414"	303.173272	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Cl+HCOOH"	80.974872
"1321385"	325.155229	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Cl+NaCOOH"	102.956829
"913536"	335.183986	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M-H+CF3COOH"	112.985586
"1293889"	371.160664	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Cl+CF3COOH"	148.962264
"1370227"	187.185724	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H-2H2O"	-35.012676
"1386265"	205.1957	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H-H2O"	-17.0027
"284131"	445.404076	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+H"	1.007276
"678009"	667.602476	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+H"	1.007276
"1354722"	223.205676	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H"	1.007276
"131623"	223.205676	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+2H"	2.014552
"571184"	334.304876	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+2H"	2.014552
"1045091"	112.106476	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2H"	2.014552
"213355"	149.139542666667	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+3H"	3.021828
"648545"	223.205676	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+3H"	3.021828
"1168856"	75.0734093333333	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+3H"	3.021828
"425930"	462.430623	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+NH4"	18.033823
"788752"	684.629023	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+NH4"	18.033823
"1685082"	240.232223	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+NH4"	18.033823
"336639"	231.7189495	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+H+NH4"	19.041099
"723962"	342.8181495	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+H+NH4"	19.041099
"1480698"	120.6197495	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H+NH4"	19.041099
"396094"	467.386018	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+Na"	22.989218
"755270"	689.584418	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+Na"	22.989218
"1605189"	245.187618	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Na"	22.989218
"319607"	234.196647	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+H+Na"	23.996494
"721527"	345.295847	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+H+Na"	23.996494
"1476720"	123.097447	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H+Na"	23.996494
"1066402"	82.4007233333333	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2H+Na"	25.00377
"1272538"	255.231886	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+CH3OH+H"	33.033486
"391028"	483.359958	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+K"	38.963158
"751292"	705.558358	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+K"	38.963158
"1546782"	261.161558	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+K"	38.963158
"306146"	242.183617	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+H+K"	39.970434
"692733"	353.282817	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+H+K"	39.970434
"1446912"	131.084417	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H+K"	39.970434
"238794"	486.430626	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+ACN+H"	42.033826
"1216971"	264.232226	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+ACN+H"	42.033826
"1197935"	132.619751	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+ACN+2H"	43.041102
"193724"	489.36796	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+2Na-H"	44.97116
"632553"	711.56636	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+2Na-H"	44.97116
"1136787"	267.16956	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2Na-H"	44.97116
"175221"	245.187618	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+2Na"	45.978436
"615632"	356.286818	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+2Na"	45.978436
"1120965"	134.088418	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2Na"	45.978436
"1403395"	89.7280373333333	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H+2Na"	46.985712
"1430525"	269.211146	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H+HCOOH"	47.012746
"221924"	250.22064	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+3H2O+2H"	56.04448
"1517649"	283.26319	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+IsoProp+H"	61.06479
"418428"	253.174588	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+Na+K"	61.952376
"775049"	364.273788	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+Na+K"	61.952376
"1672473"	142.075388	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Na+K"	61.952376
"260086"	508.412568	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+ACN+Na"	64.015768
"1231702"	286.214168	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+ACN+Na"	64.015768
"1720588"	286.237693	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+NH4+HCOOH"	64.039293
"1185940"	97.0553513333333	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+3Na"	68.967654
"1658020"	291.193088	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Na+HCOOH"	68.994688
"162693"	521.31584	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+2K-H"	76.91904
"600069"	743.51424	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+2K-H"	76.91904
"1096247"	299.11744	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2K-H"	76.91904
"144679"	261.161558	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"2M+2K"	77.926316
"587524"	372.260758	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"3M+2K"	77.926316
"1074223"	150.062358	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2K"	77.926316
"1108529"	301.131992	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2K+H"	78.933592
"1349293"	301.219607	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+DMSO+H"	79.021207
"1017820"	305.258776	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2ACN+H"	83.060376
"1535948"	306.252408	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+IsoProp+Na+H"	84.054008
"1002395"	153.133026	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+2ACN+2H"	84.067652
"1587545"	307.167028	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+K+HCOOH"	84.968628
"1424751"	337.198538	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+H+CF3COOH"	115.000138
"1151758"	173.646301	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+3ACN+2H"	125.094202
"1704589"	354.225085	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+NH4+CF3COOH"	132.026685
"1647895"	359.18048	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+Na+CF3COOH"	136.98208
"1582452"	375.15442	"C20576"	"Kunzeaol;6beta-Hydroxygermacra-1(10)4-diene;(1R2E6E10R)-37-Dimethyl-10-isopropylcyclodeca-26-dienol"	"C15H26O"	"222.1984"	"M+K+CF3COOH"	152.95602
"809537"	278.1002	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M"	0
"988178"	259.08181	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-H2O-H"	-19.01839
"76781"	184.392857333333	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M-3H"	-3.021828
"515247"	277.092924	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M-3H"	-3.021828
"889768"	91.6927906666667	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-3H"	-3.021828
"689"	277.092924	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M-2H"	-2.014552
"446811"	416.143024	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M-2H"	-2.014552
"824612"	138.042824	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-2H"	-2.014552
"85698"	555.193124	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M-H"	-1.007276
"524168"	833.293324	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M-H"	-1.007276
"903062"	277.092924	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-H"	-1.007276
"53065"	572.219671	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M-2H+NH4"	16.019271
"494808"	850.319871	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M-2H+NH4"	16.019271
"873704"	294.119471	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-2H+NH4"	16.019271
"38323"	577.175066	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M-2H+Na"	20.974666
"475710"	855.275266	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M-2H+Na"	20.974666
"849258"	299.074866	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-2H+Na"	20.974666
"1618487"	299.074866	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Na-2H"	20.974666
"97387"	295.081263	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M-H+Cl"	33.962126
"536947"	434.131363	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M-H+Cl"	33.962126
"935930"	156.031163	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-H+Cl"	33.962126
"273394"	591.169802	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+Cl"	34.969402
"666910"	869.270002	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+Cl"	34.969402
"1273437"	313.069602	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Cl"	34.969402
"17006"	593.149006	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M-2H+K"	36.948606
"456203"	871.249206	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M-2H+K"	36.948606
"833879"	315.048806	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-2H+K"	36.948606
"1558347"	315.048806	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+K-2H"	36.948606
"944039"	323.098394	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-H+HCOOH"	44.998194
"362622"	601.198601	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+HCOOH-H"	44.998201
"348329"	615.214251	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+Hac-H"	59.013851
"1496066"	337.114051	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Hac-H"	59.013851
"958791"	345.080351	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-H+NaCOOH"	66.980151
"120543"	313.069602	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+2Cl"	69.938804
"557553"	452.119702	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+2Cl"	69.938804
"1030723"	174.019502	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2Cl"	69.938804
"1246294"	357.019085	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Br"	78.918885
"1305095"	359.075072	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Cl+HCOOH"	80.974872
"1320402"	381.057029	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Cl+NaCOOH"	102.956829
"911825"	391.085786	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M-H+CF3COOH"	112.985586
"1291084"	427.062464	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Cl+CF3COOH"	148.962264
"1367787"	243.087524	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H-2H2O"	-35.012676
"1386017"	261.0975	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H-H2O"	-17.0027
"286795"	557.207676	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+H"	1.007276
"680311"	835.307876	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+H"	1.007276
"1356658"	279.107476	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H"	1.007276
"127725"	279.107476	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+2H"	2.014552
"569107"	418.157576	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+2H"	2.014552
"1043378"	140.057376	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2H"	2.014552
"207998"	186.407409333333	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+3H"	3.021828
"646468"	279.107476	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+3H"	3.021828
"1166783"	93.7073426666667	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+3H"	3.021828
"435520"	574.234223	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+NH4"	18.033823
"789955"	852.334423	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+NH4"	18.033823
"1684828"	296.134023	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+NH4"	18.033823
"336749"	287.6207495	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+H+NH4"	19.041099
"724073"	426.6708495	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+H+NH4"	19.041099
"1479716"	148.5706495	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H+NH4"	19.041099
"396204"	579.189618	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+Na"	22.989218
"757207"	857.289818	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+Na"	22.989218
"1604209"	301.089418	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Na"	22.989218
"317529"	290.098447	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+H+Na"	23.996494
"722522"	429.148547	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+H+Na"	23.996494
"1476466"	151.048347	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H+Na"	23.996494
"1067608"	101.034656666667	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2H+Na"	25.00377
"1271470"	311.133686	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+CH3OH+H"	33.033486
"391869"	595.163558	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+K"	38.963158
"751402"	873.263758	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+K"	38.963158
"1553455"	317.063358	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+K"	38.963158
"305165"	298.085417	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+H+K"	39.970434
"697583"	437.135517	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+H+K"	39.970434
"1447029"	159.035317	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H+K"	39.970434
"236721"	598.234226	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+ACN+H"	42.033826
"1213800"	320.134026	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+ACN+H"	42.033826
"1203148"	160.570651	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+ACN+2H"	43.041102
"193836"	601.17156	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+2Na-H"	44.97116
"632301"	879.27176	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+2Na-H"	44.97116
"1134348"	323.07136	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2Na-H"	44.97116
"174723"	301.089418	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+2Na"	45.978436
"617570"	440.139518	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+2Na"	45.978436
"1126548"	162.039318	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2Na"	45.978436
"1408977"	108.361970666667	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H+2Na"	46.985712
"1440728"	325.112946	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H+HCOOH"	47.012746
"230059"	306.12244	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+3H2O+2H"	56.04448
"1517759"	339.16499	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+IsoProp+H"	61.06479
"418538"	309.076388	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+Na+K"	61.952376
"776253"	448.126488	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+Na+K"	61.952376
"1674771"	170.026288	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Na+K"	61.952376
"260197"	620.216168	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+ACN+Na"	64.015768
"1232906"	342.115968	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+ACN+Na"	64.015768
"1721793"	342.139493	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+NH4+HCOOH"	64.039293
"1189333"	115.689284666667	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+3Na"	68.967654
"1658132"	347.094888	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Na+HCOOH"	68.994688
"167179"	633.11944	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+2K-H"	76.91904
"602366"	911.21964	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+2K-H"	76.91904
"1094535"	355.01924	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2K-H"	76.91904
"145884"	317.063358	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"2M+2K"	77.926316
"585441"	456.113458	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"3M+2K"	77.926316
"1073240"	178.013258	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2K"	77.926316
"1108639"	357.033792	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2K+H"	78.933592
"1349405"	357.121407	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+DMSO+H"	79.021207
"1016838"	361.160576	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2ACN+H"	83.060376
"1534966"	362.154208	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+IsoProp+Na+H"	84.054008
"1000320"	181.083926	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+2ACN+2H"	84.067652
"1595919"	363.068828	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+K+HCOOH"	84.968628
"1420485"	393.100338	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+H+CF3COOH"	115.000138
"1150774"	201.597201	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+3ACN+2H"	125.094202
"1706885"	410.126885	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+NH4+CF3COOH"	132.026685
"1648003"	415.08228	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+Na+CF3COOH"	136.98208
"1582562"	431.05622	"C20577"	"6-Tuliposide A;6-O-(4-Hydroxy-2-methylenebutanoyl)-D-glucose"	"C11H18O8"	"278.1002"	"M+K+CF3COOH"	152.95602
"814026"	98.0368	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M"	0
"982094"	79.01841	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-H2O-H"	-19.01839
"75436"	64.3505906666667	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M-3H"	-3.021828
"512077"	97.029524	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M-3H"	-3.021828
"889879"	31.6716573333333	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-3H"	-3.021828
"5175"	97.029524	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M-2H"	-2.014552
"445830"	146.047924	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M-2H"	-2.014552
"821442"	48.011124	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-2H"	-2.014552
"82528"	195.066324	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M-H"	-1.007276
"520145"	293.103124	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M-H"	-1.007276
"899162"	97.029524	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-H"	-1.007276
"50257"	212.092871	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M-2H+NH4"	16.019271
"491643"	310.129671	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M-2H+NH4"	16.019271
"866525"	114.056071	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-2H+NH4"	16.019271
"34425"	217.048266	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M-2H+Na"	20.974666
"473754"	315.085066	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M-2H+Na"	20.974666
"849370"	119.011466	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-2H+Na"	20.974666
"1618442"	119.011466	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Na-2H"	20.974666
"94491"	115.017863	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M-H+Cl"	33.962126
"535966"	164.036263	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M-H+Cl"	33.962126
"932763"	65.999463	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-H+Cl"	33.962126
"270590"	231.043002	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+Cl"	34.969402
"660127"	329.079802	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+Cl"	34.969402
"1272975"	133.006202	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Cl"	34.969402
"15817"	233.022206	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M-2H+K"	36.948606
"455750"	331.059006	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M-2H+K"	36.948606
"832832"	134.985406	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-2H+K"	36.948606
"1555700"	134.985406	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+K-2H"	36.948606
"943177"	143.034994	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-H+HCOOH"	44.998194
"362122"	241.071801	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+HCOOH-H"	44.998201
"347341"	255.087451	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+Hac-H"	59.013851
"1493628"	157.050651	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Hac-H"	59.013851
"962997"	165.016951	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-H+NaCOOH"	66.980151
"121381"	133.006202	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+2Cl"	69.938804
"557664"	182.024602	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+2Cl"	69.938804
"1025368"	83.987802	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2Cl"	69.938804
"1245312"	176.955685	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Br"	78.918885
"1304511"	179.011672	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Cl+HCOOH"	80.974872
"1321605"	200.993629	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Cl+NaCOOH"	102.956829
"912300"	211.022386	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M-H+CF3COOH"	112.985586
"1289372"	246.999064	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Cl+CF3COOH"	148.962264
"1367900"	63.024124	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H-2H2O"	-35.012676
"1382886"	81.0341	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H-H2O"	-17.0027
"285082"	197.080876	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+H"	1.007276
"678233"	295.117676	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+H"	1.007276
"1355674"	99.044076	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H"	1.007276
"128564"	99.044076	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+2H"	2.014552
"569223"	148.062476	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+2H"	2.014552
"1043488"	50.025676	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2H"	2.014552
"211392"	66.3651426666667	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+3H"	3.021828
"650955"	99.044076	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+3H"	3.021828
"1166893"	33.6862093333333	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+3H"	3.021828
"429070"	214.107423	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+NH4"	18.033823
"786096"	312.144223	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+NH4"	18.033823
"1683121"	116.070623	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+NH4"	18.033823
"334680"	107.5573495	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+H+NH4"	19.041099
"727102"	156.5757495	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+H+NH4"	19.041099
"1478734"	58.5389495	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H+NH4"	19.041099
"396321"	219.062818	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+Na"	22.989218
"756222"	317.099618	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+Na"	22.989218
"1606503"	121.026018	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Na"	22.989218
"317639"	110.035047	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+H+Na"	23.996494
"719922"	159.053447	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+H+Na"	23.996494
"1474471"	61.016647	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H+Na"	23.996494
"1064438"	41.0135233333333	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2H+Na"	25.00377
"1271947"	131.070286	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+CH3OH+H"	33.033486
"391981"	235.036758	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+K"	38.963158
"751515"	333.073558	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+K"	38.963158
"1543722"	136.999958	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+K"	38.963158
"303084"	118.022017	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+H+K"	39.970434
"691473"	167.040417	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+H+K"	39.970434
"1446401"	69.003617	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H+K"	39.970434
"236462"	238.107426	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+ACN+H"	42.033826
"1210993"	140.070626	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+ACN+H"	42.033826
"1196701"	70.538951	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+ACN+2H"	43.041102
"190056"	241.04476	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+2Na-H"	44.97116
"631319"	339.08156	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+2Na-H"	44.97116
"1132765"	143.00796	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2Na-H"	44.97116
"177030"	121.026018	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+2Na"	45.978436
"619872"	170.044418	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+2Na"	45.978436
"1122284"	72.007618	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2Na"	45.978436
"1405808"	48.3408373333333	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H+2Na"	46.985712
"1436830"	145.049546	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H+HCOOH"	47.012746
"228712"	126.05904	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+3H2O+2H"	56.04448
"1514589"	159.10159	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+IsoProp+H"	61.06479
"414274"	129.012988	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+Na+K"	61.952376
"771988"	178.031388	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+Na+K"	61.952376
"1666132"	79.994588	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Na+K"	61.952376
"254838"	260.089368	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+ACN+Na"	64.015768
"1229735"	162.052568	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+ACN+Na"	64.015768
"1720807"	162.076093	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+NH4+HCOOH"	64.039293
"1185068"	55.6681513333333	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+3Na"	68.967654
"1656056"	167.031488	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Na+HCOOH"	68.994688
"167291"	272.99264	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+2K-H"	76.91904
"602478"	371.02944	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+2K-H"	76.91904
"1093551"	174.95584	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2K-H"	76.91904
"145996"	136.999958	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"2M+2K"	77.926316
"584463"	186.018358	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"3M+2K"	77.926316
"1073350"	87.981558	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2K"	77.926316
"1107656"	176.970392	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2K+H"	78.933592
"1347327"	177.058007	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+DMSO+H"	79.021207
"1010389"	181.097176	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2ACN+H"	83.060376
"1527421"	182.090808	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+IsoProp+Na+H"	84.054008
"990584"	91.052226	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+2ACN+2H"	84.067652
"1588004"	183.005428	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+K+HCOOH"	84.968628
"1414353"	213.036938	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+H+CF3COOH"	115.000138
"1151978"	111.565501	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+3ACN+2H"	125.094202
"1701529"	230.063485	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+NH4+CF3COOH"	132.026685
"1644833"	235.01888	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+Na+CF3COOH"	136.98208
"1582672"	250.99282	"C20578"	"Tulipalin A;2-Methylenebutanolactone"	"C5H6O2"	"98.0368"	"M+K+CF3COOH"	152.95602
"806476"	280.1212	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M"	0
"986942"	261.10281	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-H2O-H"	-19.01839
"77976"	185.740190666667	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M-3H"	-3.021828
"512187"	279.113924	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M-3H"	-3.021828
"891082"	92.3664573333333	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-3H"	-3.021828
"5285"	279.113924	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M-2H"	-2.014552
"445940"	419.174524	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M-2H"	-2.014552
"819365"	139.053324	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-2H"	-2.014552
"83732"	559.235124	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M-H"	-1.007276
"523293"	839.356324	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M-H"	-1.007276
"902187"	279.113924	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-H"	-1.007276
"51094"	576.261671	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M-2H+NH4"	16.019271
"490654"	856.382871	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M-2H+NH4"	16.019271
"867363"	296.140471	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-2H+NH4"	16.019271
"36355"	581.217066	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M-2H+Na"	20.974666
"475930"	861.338266	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M-2H+Na"	20.974666
"858107"	301.095866	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-2H+Na"	20.974666
"1621079"	301.095866	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Na-2H"	20.974666
"98702"	297.102263	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M-H+Cl"	33.962126
"536076"	437.162863	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M-H+Cl"	33.962126
"932871"	157.041663	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-H+Cl"	33.962126
"272523"	595.211802	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+Cl"	34.969402
"664944"	875.333002	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+Cl"	34.969402
"1273821"	315.090602	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Cl"	34.969402
"15892"	597.191006	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M-2H+K"	36.948606
"456139"	877.312206	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M-2H+K"	36.948606
"833743"	317.069806	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-2H+K"	36.948606
"1556052"	317.069806	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+K-2H"	36.948606
"945358"	325.119394	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-H+HCOOH"	44.998194
"364302"	605.240601	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+HCOOH-H"	44.998201
"347209"	619.256251	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+Hac-H"	59.013851
"1494465"	339.135051	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Hac-H"	59.013851
"971491"	347.101351	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-H+NaCOOH"	66.980151
"122221"	315.090602	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+2Cl"	69.938804
"558864"	455.151202	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+2Cl"	69.938804
"1028758"	175.030002	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2Cl"	69.938804
"1248337"	359.040085	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Br"	78.918885
"1304583"	361.096072	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Cl+HCOOH"	80.974872
"1320743"	383.078029	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Cl+NaCOOH"	102.956829
"913501"	393.106786	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M-H+CF3COOH"	112.985586
"1288957"	429.083464	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Cl+CF3COOH"	148.962264
"1367525"	245.108524	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H-2H2O"	-35.012676
"1383926"	263.1185	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H-H2O"	-17.0027
"283374"	561.249676	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+H"	1.007276
"676197"	841.370876	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+H"	1.007276
"1353966"	281.128476	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H"	1.007276
"129772"	281.128476	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+2H"	2.014552
"570428"	421.189076	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+2H"	2.014552
"1045423"	141.067876	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2H"	2.014552
"209316"	187.754742666667	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+3H"	3.021828
"651066"	281.128476	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+3H"	3.021828
"1169190"	94.3810093333333	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+3H"	3.021828
"431370"	578.276223	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+NH4"	18.033823
"789083"	858.397423	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+NH4"	18.033823
"1682377"	298.155023	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+NH4"	18.033823
"334785"	289.6417495	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+H+NH4"	19.041099
"727211"	429.7023495	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+H+NH4"	19.041099
"1482118"	149.5811495	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H+NH4"	19.041099
"397527"	583.231618	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+Na"	22.989218
"758521"	863.352818	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+Na"	22.989218
"1604431"	303.110418	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Na"	22.989218
"321030"	292.119447	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+H+Na"	23.996494
"718573"	432.180047	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+H+Na"	23.996494
"1475306"	152.058847	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H+Na"	23.996494
"1060529"	101.708323333333	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2H+Na"	25.00377
"1270236"	313.154686	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+CH3OH+H"	33.033486
"390756"	599.205558	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+K"	38.963158
"752356"	879.326758	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+K"	38.963158
"1548207"	319.084358	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+K"	38.963158
"305382"	300.106417	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+H+K"	39.970434
"692697"	440.167017	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+H+K"	39.970434
"1445741"	160.045817	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H+K"	39.970434
"236573"	602.276226	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+ACN+H"	42.033826
"1211469"	322.155026	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+ACN+H"	42.033826
"1195111"	161.581151	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+ACN+2H"	43.041102
"190047"	605.21356	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+2Na-H"	44.97116
"633616"	885.33476	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+2Na-H"	44.97116
"1133848"	325.09236	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2Na-H"	44.97116
"178233"	303.110418	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+2Na"	45.978436
"622169"	443.171018	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+2Na"	45.978436
"1125675"	163.049818	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2Na"	45.978436
"1410292"	109.035637333333	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H+2Na"	46.985712
"1436940"	327.133946	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H+HCOOH"	47.012746
"225540"	308.14344	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+3H2O+2H"	56.04448
"1514701"	341.18599	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+IsoProp+H"	61.06479
"411104"	311.097388	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+Na+K"	61.952376
"771006"	451.157988	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+Na+K"	61.952376
"1668432"	171.036788	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Na+K"	61.952376
"252765"	624.258168	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+ACN+Na"	64.015768
"1236408"	344.136968	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+ACN+Na"	64.015768
"1717640"	344.160493	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+NH4+HCOOH"	64.039293
"1184088"	116.362951333333	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+3Na"	68.967654
"1656167"	349.115888	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Na+HCOOH"	68.994688
"170684"	637.16144	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+2K-H"	76.91904
"610246"	917.28264	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+2K-H"	76.91904
"1095851"	357.04024	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2K-H"	76.91904
"145013"	319.084358	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"2M+2K"	77.926316
"584937"	459.144958	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"3M+2K"	77.926316
"1075650"	179.023758	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2K"	77.926316
"1102664"	359.054792	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2K+H"	78.933592
"1347435"	359.142407	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+DMSO+H"	79.021207
"1017062"	363.181576	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2ACN+H"	83.060376
"1530814"	364.175208	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+IsoProp+Na+H"	84.054008
"993982"	182.094426	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+2ACN+2H"	84.067652
"1587629"	365.089828	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+K+HCOOH"	84.968628
"1418519"	395.121338	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+H+CF3COOH"	115.000138
"1152088"	202.607701	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+3ACN+2H"	125.094202
"1702733"	412.147885	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+NH4+CF3COOH"	132.026685
"1646038"	417.10328	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+Na+CF3COOH"	136.98208
"1582782"	433.07722	"C20579"	"Cyclopeptine;(3S)-3-Benzyl-4-methyl-34-dihydro-1H-14-benzodiazepine-25-dione"	"C17H16N2O2"	"280.1212"	"M+K+CF3COOH"	152.95602
"808775"	202.0477	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M"	0
"986683"	183.02931	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-H2O-H"	-19.01839
"74927"	133.691190666667	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M-3H"	-3.021828
"512299"	201.040424	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M-3H"	-3.021828
"884632"	66.3419573333333	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-3H"	-3.021828
"5396"	201.040424	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M-2H"	-2.014552
"444955"	302.064274	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M-2H"	-2.014552
"823850"	100.016574	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-2H"	-2.014552
"83841"	403.088124	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M-H"	-1.007276
"523407"	605.135824	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M-H"	-1.007276
"898412"	201.040424	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-H"	-1.007276
"52300"	420.114671	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M-2H+NH4"	16.019271
"488583"	622.162371	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M-2H+NH4"	16.019271
"868569"	218.066971	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-2H+NH4"	16.019271
"37572"	425.070066	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M-2H+Na"	20.974666
"477135"	627.117766	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M-2H+Na"	20.974666
"856031"	223.022366	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-2H+Na"	20.974666
"1622284"	223.022366	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Na-2H"	20.974666
"95533"	219.028763	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M-H+Cl"	33.962126
"535328"	320.052613	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M-H+Cl"	33.962126
"935170"	118.004913	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-H+Cl"	33.962126
"271176"	439.064802	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+Cl"	34.969402
"660800"	641.112502	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+Cl"	34.969402
"1273689"	237.017102	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Cl"	34.969402
"16440"	441.044006	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M-2H+K"	36.948606
"457025"	643.091706	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M-2H+K"	36.948606
"833606"	238.996306	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-2H+K"	36.948606
"1557092"	238.996306	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+K-2H"	36.948606
"943522"	247.045894	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-H+HCOOH"	44.998194
"362953"	449.093601	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+HCOOH-H"	44.998201
"354498"	463.109251	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+Hac-H"	59.013851
"1499688"	261.061551	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Hac-H"	59.013851
"967229"	269.027851	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-H+NaCOOH"	66.980151
"118322"	237.017102	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+2Cl"	69.938804
"553144"	338.040952	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+2Cl"	69.938804
"1025588"	135.993252	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2Cl"	69.938804
"1242124"	280.966585	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Br"	78.918885
"1305424"	283.022572	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Cl+HCOOH"	80.974872
"1321464"	305.004529	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Cl+NaCOOH"	102.956829
"912884"	315.033286	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M-H+CF3COOH"	112.985586
"1290324"	351.009964	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Cl+CF3COOH"	148.962264
"1367757"	167.035024	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H-2H2O"	-35.012676
"1385619"	185.045	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H-H2O"	-17.0027
"285304"	405.102676	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+H"	1.007276
"678454"	607.150376	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+H"	1.007276
"1355170"	203.054976	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H"	1.007276
"129153"	203.054976	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+2H"	2.014552
"568351"	304.078826	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+2H"	2.014552
"1050272"	102.031126	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2H"	2.014552
"210523"	135.705742666667	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+3H"	3.021828
"651177"	203.054976	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+3H"	3.021828
"1168209"	68.3565093333333	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+3H"	3.021828
"424554"	422.129223	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+NH4"	18.033823
"791385"	624.176923	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+NH4"	18.033823
"1684431"	220.081523	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+NH4"	18.033823
"331620"	211.5682495	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+H+NH4"	19.041099
"728415"	312.5920995	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+H+NH4"	19.041099
"1484424"	110.5443995	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H+NH4"	19.041099
"397636"	427.084618	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+Na"	22.989218
"756443"	629.132318	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+Na"	22.989218
"1603117"	225.036918	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Na"	22.989218
"327720"	214.045947	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+H+Na"	23.996494
"719047"	315.069797	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+H+Na"	23.996494
"1475052"	113.022097	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H+Na"	23.996494
"1066479"	75.6838233333333	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2H+Na"	25.00377
"1271682"	235.081186	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+CH3OH+H"	33.033486
"390017"	443.058558	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+K"	38.963158
"745171"	645.106258	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+K"	38.963158
"1548318"	241.010858	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+K"	38.963158
"305491"	222.032917	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+H+K"	39.970434
"691754"	323.056767	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+H+K"	39.970434
"1446139"	121.009067	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H+K"	39.970434
"237049"	446.129226	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+ACN+H"	42.033826
"1214129"	244.081526	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+ACN+H"	42.033826
"1196191"	122.544401	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+ACN+2H"	43.041102
"191979"	449.06656	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+2Na-H"	44.97116
"630573"	651.11426	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+2Na-H"	44.97116
"1135055"	247.01886	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2Na-H"	44.97116
"186003"	225.036918	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+2Na"	45.978436
"623374"	326.060768	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+2Na"	45.978436
"1129067"	124.013068	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2Na"	45.978436
"1408217"	83.0111373333333	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H+2Na"	46.985712
"1439239"	249.060446	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H+HCOOH"	47.012746
"223467"	230.06994	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+3H2O+2H"	56.04448
"1511527"	263.11249	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+IsoProp+H"	61.06479
"411215"	233.023888	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+Na+K"	61.952376
"772209"	334.047738	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+Na+K"	61.952376
"1669633"	132.000038	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Na+K"	61.952376
"253966"	468.111168	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+ACN+Na"	64.015768
"1227769"	266.063468	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+ACN+Na"	64.015768
"1719935"	266.086993	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+NH4+HCOOH"	64.039293
"1184197"	90.3384513333333	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+3Na"	68.967654
"1659557"	271.042388	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Na+HCOOH"	68.994688
"170794"	481.01444	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+2K-H"	76.91904
"602699"	683.06214	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+2K-H"	76.91904
"1089401"	278.96674	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2K-H"	76.91904
"144030"	241.010858	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"2M+2K"	77.926316
"589060"	342.034708	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"3M+2K"	77.926316
"1072480"	139.987008	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2K"	77.926316
"1102413"	280.981292	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2K+H"	78.933592
"1346454"	281.068907	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+DMSO+H"	79.021207
"1008422"	285.108076	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2ACN+H"	83.060376
"1527642"	286.101708	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+IsoProp+Na+H"	84.054008
"991902"	143.057676	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+2ACN+2H"	84.067652
"1587253"	287.016328	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+K+HCOOH"	84.968628
"1414617"	317.047838	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+H+CF3COOH"	115.000138
"1153291"	163.570951	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+3ACN+2H"	125.094202
"1697617"	334.074385	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+NH4+CF3COOH"	132.026685
"1638492"	339.02978	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+Na+CF3COOH"	136.98208
"1582893"	355.00372	"C20581"	"cis-(Homo)2-aconitate"	"C8H10O6"	"202.0477"	"M+K+CF3COOH"	152.95602
"812165"	216.0634	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M"	0
"988980"	197.04501	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-H2O-H"	-19.01839
"77224"	143.034990666667	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M-3H"	-3.021828
"515689"	215.056124	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M-3H"	-3.021828
"886929"	71.0138573333333	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-3H"	-3.021828
"6599"	215.056124	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M-2H"	-2.014552
"446158"	323.087824	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M-2H"	-2.014552
"823960"	107.024424	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-2H"	-2.014552
"86138"	431.119524	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M-H"	-1.007276
"526795"	647.182924	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M-H"	-1.007276
"900220"	215.056124	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-H"	-1.007276
"51314"	448.146071	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M-2H+NH4"	16.019271
"495253"	664.209471	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M-2H+NH4"	16.019271
"870866"	232.082671	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-2H+NH4"	16.019271
"40964"	453.101466	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M-2H+Na"	20.974666
"477245"	669.164866	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M-2H+Na"	20.974666
"852861"	237.038066	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-2H+Na"	20.974666
"1622394"	237.038066	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Na-2H"	20.974666
"96007"	233.044463	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M-H+Cl"	33.962126
"535075"	341.076163	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M-H+Cl"	33.962126
"934187"	125.012763	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-H+Cl"	33.962126
"271651"	467.096202	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+Cl"	34.969402
"661395"	683.159602	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+Cl"	34.969402
"1274525"	251.032802	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Cl"	34.969402
"17448"	469.075406	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M-2H+K"	36.948606
"457863"	685.138806	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M-2H+K"	36.948606
"833478"	253.012006	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-2H+K"	36.948606
"1556358"	253.012006	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+K-2H"	36.948606
"944481"	261.061594	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-H+HCOOH"	44.998194
"363429"	477.125001	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+HCOOH-H"	44.998201
"354607"	491.140651	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+Hac-H"	59.013851
"1499798"	275.077251	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Hac-H"	59.013851
"967340"	283.043551	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-H+NaCOOH"	66.980151
"118433"	251.032802	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+2Cl"	69.938804
"553621"	359.064502	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+2Cl"	69.938804
"1024970"	143.001102	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2Cl"	69.938804
"1243815"	294.982285	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Br"	78.918885
"1306262"	297.038272	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Cl+HCOOH"	80.974872
"1321574"	319.020229	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Cl+NaCOOH"	102.956829
"913723"	329.048986	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M-H+CF3COOH"	112.985586
"1291164"	365.025664	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Cl+CF3COOH"	148.962264
"1371511"	181.050724	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H-2H2O"	-35.012676
"1386093"	199.0607	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H-H2O"	-17.0027
"288329"	433.134076	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+H"	1.007276
"681114"	649.197476	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+H"	1.007276
"1355280"	217.070676	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H"	1.007276
"130358"	217.070676	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+2H"	2.014552
"572835"	325.102376	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+2H"	2.014552
"1047829"	109.038976	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2H"	2.014552
"207353"	145.049542666667	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+3H"	3.021828
"652380"	217.070676	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+3H"	3.021828
"1167226"	73.0284093333333	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+3H"	3.021828
"426124"	450.160623	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+NH4"	18.033823
"790401"	666.224023	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+NH4"	18.033823
"1685635"	234.097223	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+NH4"	18.033823
"333913"	225.5839495	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+H+NH4"	19.041099
"727432"	333.6156495	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+H+NH4"	19.041099
"1485628"	117.5522495	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H+NH4"	19.041099
"396652"	455.116018	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+Na"	22.989218
"756553"	671.179418	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+Na"	22.989218
"1603064"	239.052618	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Na"	22.989218
"327832"	228.061647	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+H+Na"	23.996494
"720250"	336.093347	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+H+Na"	23.996494
"1476255"	120.029947	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H+Na"	23.996494
"1067684"	80.3557233333333	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2H+Na"	25.00377
"1272034"	249.096886	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+CH3OH+H"	33.033486
"392266"	471.089958	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+K"	38.963158
"752943"	687.153358	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+K"	38.963158
"1548428"	255.026558	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+K"	38.963158
"306695"	236.048617	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+H+K"	39.970434
"691945"	344.080317	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+H+K"	39.970434
"1447830"	128.016917	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H+K"	39.970434
"239346"	474.160626	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+ACN+H"	42.033826
"1214239"	258.097226	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+ACN+H"	42.033826
"1196666"	129.552251	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+ACN+2H"	43.041102
"190752"	477.09796	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+2Na-H"	44.97116
"633842"	693.16136	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+2Na-H"	44.97116
"1135161"	261.03456	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2Na-H"	44.97116
"185017"	239.052618	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+2Na"	45.978436
"623484"	347.084318	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+2Na"	45.978436
"1128083"	131.020918	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2Na"	45.978436
"1410514"	87.6830373333333	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H+2Na"	46.985712
"1439349"	263.076146	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H+HCOOH"	47.012746
"223576"	244.08564	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+3H2O+2H"	56.04448
"1513823"	277.12819	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+IsoProp+H"	61.06479
"411324"	247.039588	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+Na+K"	61.952376
"775599"	355.071288	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+Na+K"	61.952376
"1673023"	139.007888	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Na+K"	61.952376
"255169"	496.142568	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+ACN+Na"	64.015768
"1230066"	280.079168	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+ACN+Na"	64.015768
"1718952"	280.102693	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+NH4+HCOOH"	64.039293
"1184306"	95.0103513333333	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+3Na"	68.967654
"1658574"	285.058088	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Na+HCOOH"	68.994688
"164343"	509.04584	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+2K-H"	76.91904
"601716"	725.10924	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+2K-H"	76.91904
"1090604"	292.98244	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2K-H"	76.91904
"145233"	255.026558	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"2M+2K"	77.926316
"589170"	363.058258	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"3M+2K"	77.926316
"1074776"	146.994858	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2K"	77.926316
"1107990"	294.996992	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2K+H"	78.933592
"1341097"	295.084607	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+DMSO+H"	79.021207
"1009626"	299.123776	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2ACN+H"	83.060376
"1531033"	300.117408	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+IsoProp+Na+H"	84.054008
"993107"	150.065526	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+2ACN+2H"	84.067652
"1587732"	301.032028	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+K+HCOOH"	84.968628
"1416551"	331.063538	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+H+CF3COOH"	115.000138
"1156681"	170.578801	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+3ACN+2H"	125.094202
"1697970"	348.090085	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+NH4+CF3COOH"	132.026685
"1644071"	353.04548	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+Na+CF3COOH"	136.98208
"1583003"	369.01942	"C20582"	"cis-(Homo)3-aconitate"	"C9H12O6"	"216.0634"	"M+K+CF3COOH"	152.95602
"813368"	338.0427	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M"	0
"986903"	319.02431	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-H2O-H"	-19.01839
"75147"	224.354524	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M-3H"	-3.021828
"517257"	337.035424	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M-3H"	-3.021828
"889226"	111.673624	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-3H"	-3.021828
"5615"	337.035424	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M-2H"	-2.014552
"440107"	506.056774	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M-2H"	-2.014552
"824070"	168.014074	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-2H"	-2.014552
"82968"	675.078124	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M-H"	-1.007276
"527997"	1013.120824	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M-H"	-1.007276
"898144"	337.035424	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-H"	-1.007276
"48506"	692.104671	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M-2H+NH4"	16.019271
"493174"	1030.147371	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M-2H+NH4"	16.019271
"870976"	354.061971	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-2H+NH4"	16.019271
"39979"	697.060066	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M-2H+Na"	20.974666
"480633"	1035.102766	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M-2H+Na"	20.974666
"856251"	359.017366	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-2H+Na"	20.974666
"1625784"	359.017366	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Na-2H"	20.974666
"99033"	355.023763	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M-H+Cl"	33.962126
"536405"	524.045113	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M-H+Cl"	33.962126
"929189"	186.002413	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-H+Cl"	33.962126
"272853"	711.054802	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+Cl"	34.969402
"665641"	1049.097502	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+Cl"	34.969402
"1275855"	373.012102	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Cl"	34.969402
"17683"	713.034006	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M-2H+K"	36.948606
"457973"	1051.076706	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M-2H+K"	36.948606
"836139"	374.991306	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-2H+K"	36.948606
"1557440"	374.991306	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+K-2H"	36.948606
"947878"	383.040894	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-H+HCOOH"	44.998194
"362811"	721.083601	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+HCOOH-H"	44.998201
"352165"	735.099251	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+Hac-H"	59.013851
"1497718"	397.056551	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Hac-H"	59.013851
"966354"	405.022851	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-H+NaCOOH"	66.980151
"120729"	373.012102	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+2Cl"	69.938804
"557012"	542.033452	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+2Cl"	69.938804
"1027998"	203.990752	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2Cl"	69.938804
"1243198"	416.961585	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Br"	78.918885
"1304915"	419.017572	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Cl+HCOOH"	80.974872
"1321316"	440.999529	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Cl+NaCOOH"	102.956829
"916026"	451.028286	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M-H+CF3COOH"	112.985586
"1290546"	487.004964	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Cl+CF3COOH"	148.962264
"1368342"	303.030024	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H-2H2O"	-35.012676
"1385837"	321.04	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H-H2O"	-17.0027
"285525"	677.092676	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+H"	1.007276
"679404"	1015.135376	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+H"	1.007276
"1358309"	339.049976	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H"	1.007276
"131198"	339.049976	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+2H"	2.014552
"574038"	508.071326	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+2H"	2.014552
"1047939"	170.028626	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2H"	2.014552
"211837"	226.369076	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+3H"	3.021828
"653583"	339.049976	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+3H"	3.021828
"1169523"	113.688176	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+3H"	3.021828
"426236"	694.119223	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+NH4"	18.033823
"787227"	1032.161923	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+NH4"	18.033823
"1685745"	356.076523	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+NH4"	18.033823
"332931"	347.5632495	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+H+NH4"	19.041099
"728635"	516.5845995	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+H+NH4"	19.041099
"1484646"	178.5418995	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H+NH4"	19.041099
"401137"	699.074618	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+Na"	22.989218
"761038"	1037.117318	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+Na"	22.989218
"1606220"	361.031918	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Na"	22.989218
"326849"	350.040947	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+H+Na"	23.996494
"719268"	519.062297	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+H+Na"	23.996494
"1470900"	181.019597	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H+Na"	23.996494
"1065973"	121.01549	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2H+Na"	25.00377
"1270199"	371.076186	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+CH3OH+H"	33.033486
"390595"	715.048558	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+K"	38.963158
"750865"	1053.091258	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+K"	38.963158
"1551454"	377.005858	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+K"	38.963158
"304620"	358.027917	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+H+K"	39.970434
"691401"	527.049267	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+H+K"	39.970434
"1446848"	189.006567	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H+K"	39.970434
"238001"	718.119226	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+ACN+H"	42.033826
"1215442"	380.076526	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+ACN+H"	42.033826
"1195318"	190.541901	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+ACN+2H"	43.041102
"192202"	721.05656	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+2Na-H"	44.97116
"631768"	1059.09926	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+2Na-H"	44.97116
"1139646"	383.01386	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2Na-H"	44.97116
"182941"	361.031918	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+2Na"	45.978436
"621408"	530.053268	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+2Na"	45.978436
"1122727"	192.010568	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2Na"	45.978436
"1407343"	128.342804	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H+2Na"	46.985712
"1433990"	385.055446	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H+HCOOH"	47.012746
"220889"	366.06494	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+3H2O+2H"	56.04448
"1509682"	399.10749	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+IsoProp+H"	61.06479
"411797"	369.018888	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+Na+K"	61.952376
"773156"	538.040238	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+Na+K"	61.952376
"1667667"	199.997538	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Na+K"	61.952376
"257463"	740.101168	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+ACN+Na"	64.015768
"1229081"	402.058468	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+ACN+Na"	64.015768
"1716145"	402.081993	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+NH4+HCOOH"	64.039293
"1181497"	135.670118	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+3Na"	68.967654
"1659779"	407.037388	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Na+HCOOH"	68.994688
"168827"	753.00444	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+2K-H"	76.91904
"599640"	1091.04714	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+2K-H"	76.91904
"1087435"	414.96174	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2K-H"	76.91904
"150812"	377.005858	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"2M+2K"	77.926316
"584909"	546.027208	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"3M+2K"	77.926316
"1074889"	207.984508	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2K"	77.926316
"1114176"	416.976292	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2K+H"	78.933592
"1343394"	417.063907	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+DMSO+H"	79.021207
"1016299"	421.103076	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2ACN+H"	83.060376
"1527863"	422.096708	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+IsoProp+Na+H"	84.054008
"996498"	211.055176	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+2ACN+2H"	84.067652
"1588815"	423.011328	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+K+HCOOH"	84.968628
"1417756"	453.042838	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+H+CF3COOH"	115.000138
"1153511"	231.568451	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+3ACN+2H"	125.094202
"1697959"	470.069385	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+NH4+CF3COOH"	132.026685
"1645275"	475.02478	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+Na+CF3COOH"	136.98208
"1583113"	490.99872	"C20583"	"Versicolorin A"	"C18H10O7"	"338.0427"	"M+K+CF3COOH"	152.95602
"812385"	603.3924	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M"	0
"980450"	584.37401	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-H2O-H"	-19.01839
"77201"	401.254324	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M-3H"	-3.021828
"516638"	602.385124	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M-3H"	-3.021828
"887150"	200.123524	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-3H"	-3.021828
"4631"	602.385124	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M-2H"	-2.014552
"440420"	904.081324	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M-2H"	-2.014552
"823087"	300.688924	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-2H"	-2.014552
"81985"	1205.777524	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M-H"	-1.007276
"527014"	1809.169924	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M-H"	-1.007276
"897161"	602.385124	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-H"	-1.007276
"48009"	1222.804071	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M-2H+NH4"	16.019271
"492190"	1826.196471	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M-2H+NH4"	16.019271
"868900"	619.411671	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-2H+NH4"	16.019271
"40089"	1227.759466	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M-2H+Na"	20.974666
"480743"	1831.151866	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M-2H+Na"	20.974666
"854175"	624.367066	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-2H+Na"	20.974666
"1624801"	624.367066	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Na-2H"	20.974666
"100236"	620.373463	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M-H+Cl"	33.962126
"536515"	922.069663	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M-H+Cl"	33.962126
"928569"	318.677263	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-H+Cl"	33.962126
"272234"	1241.754202	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+Cl"	34.969402
"663928"	1845.146602	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+Cl"	34.969402
"1272816"	638.361802	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Cl"	34.969402
"18157"	1243.733406	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M-2H+K"	36.948606
"456500"	1847.125806	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M-2H+K"	36.948606
"836247"	640.341006	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-2H+K"	36.948606
"1559006"	640.341006	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+K-2H"	36.948606
"943246"	648.390594	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-H+HCOOH"	44.998194
"363649"	1251.783001	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+HCOOH-H"	44.998201
"350086"	1265.798651	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+Hac-H"	59.013851
"1497828"	662.406251	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Hac-H"	59.013851
"967557"	670.372551	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-H+NaCOOH"	66.980151
"121932"	638.361802	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+2Cl"	69.938804
"558215"	940.058002	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+2Cl"	69.938804
"1028107"	336.665602	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2Cl"	69.938804
"1244400"	682.311285	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Br"	78.918885
"1305388"	684.367272	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Cl+HCOOH"	80.974872
"1320696"	706.349229	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Cl+NaCOOH"	102.956829
"916501"	716.377986	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M-H+CF3COOH"	112.985586
"1290655"	752.354664	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Cl+CF3COOH"	148.962264
"1369183"	568.379724	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H-2H2O"	-35.012676
"1385949"	586.3897	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H-H2O"	-17.0027
"287456"	1207.792076	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+H"	1.007276
"680972"	1811.184476	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+H"	1.007276
"1358419"	604.399676	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H"	1.007276
"131308"	604.399676	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+2H"	2.014552
"574148"	906.095876	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+2H"	2.014552
"1046956"	302.703476	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2H"	2.014552
"211947"	403.268876	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+3H"	3.021828
"653693"	604.399676	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+3H"	3.021828
"1169633"	202.138076	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+3H"	3.021828
"428532"	1224.818623	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+NH4"	18.033823
"787337"	1828.211023	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+NH4"	18.033823
"1684033"	621.426223	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+NH4"	18.033823
"331948"	612.9129495	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+H+NH4"	19.041099
"729838"	914.6091495	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+H+NH4"	19.041099
"1486942"	311.2167495	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H+NH4"	19.041099
"400153"	1229.774018	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+Na"	22.989218
"760054"	1833.166418	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+Na"	22.989218
"1606330"	626.381618	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Na"	22.989218
"328053"	615.390647	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+H+Na"	23.996494
"721564"	917.086847	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+H+Na"	23.996494
"1472832"	313.694447	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H+Na"	23.996494
"1067056"	209.46539	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2H+Na"	25.00377
"1269944"	636.425886	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+CH3OH+H"	33.033486
"392654"	1245.747958	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+K"	38.963158
"753164"	1849.140358	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+K"	38.963158
"1549741"	642.355558	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+K"	38.963158
"304729"	623.377617	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+H+K"	39.970434
"693138"	925.073817	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+H+K"	39.970434
"1448781"	321.681417	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H+K"	39.970434
"240662"	1248.818626	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+ACN+H"	42.033826
"1211301"	645.426226	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+ACN+H"	42.033826
"1194819"	323.216751	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+ACN+2H"	43.041102
"192312"	1251.75596	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+2Na-H"	44.97116
"638072"	1855.14836	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+2Na-H"	44.97116
"1140848"	648.36356	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2Na-H"	44.97116
"184144"	626.381618	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+2Na"	45.978436
"623704"	928.077818	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+2Na"	45.978436
"1122836"	324.685418	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2Na"	45.978436
"1406723"	216.792704	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H+2Na"	46.985712
"1438472"	650.405146	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H+HCOOH"	47.012746
"225981"	631.41464	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+3H2O+2H"	56.04448
"1515136"	664.45719	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+IsoProp+H"	61.06479
"413364"	634.368588	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+Na+K"	61.952376
"776910"	936.064788	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+Na+K"	61.952376
"1671056"	332.672388	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Na+K"	61.952376
"258665"	1270.800568	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+ACN+Na"	64.015768
"1234653"	667.408168	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+ACN+Na"	64.015768
"1717712"	667.431693	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+NH4+HCOOH"	64.039293
"1183795"	224.120018	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+3Na"	68.967654
"1659889"	672.387088	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Na+HCOOH"	68.994688
"168937"	1283.70384	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+2K-H"	76.91904
"600843"	1887.09624	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+2K-H"	76.91904
"1087545"	680.31144	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2K-H"	76.91904
"150922"	642.355558	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"2M+2K"	77.926316
"589391"	944.051758	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"3M+2K"	77.926316
"1074998"	340.659358	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2K"	77.926316
"1108211"	682.325992	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2K+H"	78.933592
"1343504"	682.413607	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+DMSO+H"	79.021207
"1015315"	686.452776	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2ACN+H"	83.060376
"1529066"	687.446408	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+IsoProp+Na+H"	84.054008
"996608"	343.730026	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+2ACN+2H"	84.067652
"1588195"	688.361028	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+K+HCOOH"	84.968628
"1418959"	718.392538	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+H+CF3COOH"	115.000138
"1153621"	364.243301	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+3ACN+2H"	125.094202
"1698069"	735.419085	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+NH4+CF3COOH"	132.026685
"1645385"	740.37448	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+Na+CF3COOH"	136.98208
"1583223"	756.34842	"C20584"	"Lolicine A"	"C38H53NO5"	"603.3924"	"M+K+CF3COOH"	152.95602
"811402"	617.3716	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M"	0
"979467"	598.35321	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-H2O-H"	-19.01839
"78042"	410.573790666667	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M-3H"	-3.021828
"517600"	616.364324	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M-3H"	-3.021828
"890541"	204.783257333333	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-3H"	-3.021828
"6928"	616.364324	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M-2H"	-2.014552
"443206"	925.050124	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M-2H"	-2.014552
"826477"	307.678524	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-2H"	-2.014552
"87562"	1233.735924	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M-H"	-1.007276
"522751"	1851.107524	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M-H"	-1.007276
"896904"	616.364324	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-H"	-1.007276
"49458"	1250.762471	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M-2H+NH4"	16.019271
"491207"	1868.134071	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M-2H+NH4"	16.019271
"865486"	633.390871	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-2H+NH4"	16.019271
"36919"	1255.717866	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M-2H+Na"	20.974666
"477573"	1873.089466	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M-2H+Na"	20.974666
"854285"	638.346266	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-2H+Na"	20.974666
"1622725"	638.346266	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Na-2H"	20.974666
"94920"	634.352663	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M-H+Cl"	33.962126
"537718"	943.038463	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M-H+Cl"	33.962126
"927948"	325.666863	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-H+Cl"	33.962126
"272708"	1269.712602	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+Cl"	34.969402
"665496"	1887.084202	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+Cl"	34.969402
"1273521"	652.341002	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Cl"	34.969402
"17539"	1271.691806	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M-2H+K"	36.948606
"457827"	1889.063406	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M-2H+K"	36.948606
"833562"	654.320206	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-2H+K"	36.948606
"1556114"	654.320206	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+K-2H"	36.948606
"942792"	662.369794	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-H+HCOOH"	44.998194
"363030"	1279.741401	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+HCOOH-H"	44.998201
"345727"	1293.757051	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+Hac-H"	59.013851
"1495022"	676.385451	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Hac-H"	59.013851
"966574"	684.351751	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-H+NaCOOH"	66.980151
"122408"	652.341002	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+2Cl"	69.938804
"553951"	961.026802	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+2Cl"	69.938804
"1027123"	343.655202	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2Cl"	69.938804
"1243418"	696.290485	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Br"	78.918885
"1306228"	698.346472	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Cl+HCOOH"	80.974872
"1321293"	720.328429	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Cl+NaCOOH"	102.956829
"916611"	730.357186	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M-H+CF3COOH"	112.985586
"1289912"	766.333864	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Cl+CF3COOH"	148.962264
"1368564"	582.358924	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H-2H2O"	-35.012676
"1386423"	600.3689	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H-H2O"	-17.0027
"286473"	1235.750476	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+H"	1.007276
"679989"	1853.122076	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+H"	1.007276
"1355610"	618.378876	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H"	1.007276
"128864"	618.378876	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+2H"	2.014552
"574257"	927.064676	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+2H"	2.014552
"1041963"	309.693076	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2H"	2.014552
"208771"	412.588342666667	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+3H"	3.021828
"645535"	618.378876	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+3H"	3.021828
"1169738"	206.797809333333	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+3H"	3.021828
"425359"	1252.777023	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+NH4"	18.033823
"789635"	1870.148623	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+NH4"	18.033823
"1681713"	635.405423	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+NH4"	18.033823
"332056"	626.8921495	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+H+NH4"	19.041099
"727762"	935.5779495	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+H+NH4"	19.041099
"1485959"	318.2063495	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H+NH4"	19.041099
"400263"	1257.732418	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+Na"	22.989218
"760165"	1875.104018	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+Na"	22.989218
"1605347"	640.360818	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Na"	22.989218
"324884"	629.369847	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+H+Na"	23.996494
"719490"	938.055647	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+H+Na"	23.996494
"1475130"	320.684047	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H+Na"	23.996494
"1062185"	214.125123333333	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2H+Na"	25.00377
"1269690"	650.405086	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+CH3OH+H"	33.033486
"391183"	1273.706358	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+K"	38.963158
"751447"	1891.077958	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+K"	38.963158
"1549851"	656.334758	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+K"	38.963158
"300464"	637.356817	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+H+K"	39.970434
"692881"	946.042617	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+H+K"	39.970434
"1446252"	328.671017	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H+K"	39.970434
"237849"	1276.777026	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+ACN+H"	42.033826
"1212015"	659.405426	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+ACN+H"	42.033826
"1194767"	330.206351	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+ACN+2H"	43.041102
"189868"	1279.71436	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+2Na-H"	44.97116
"637452"	1897.08596	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+2Na-H"	44.97116
"1140958"	662.34276	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2Na-H"	44.97116
"183885"	640.360818	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+2Na"	45.978436
"620533"	949.046618	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+2Na"	45.978436
"1122945"	331.675018	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2Na"	45.978436
"1407561"	221.452437333333	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H+2Na"	46.985712
"1435300"	664.384346	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H+HCOOH"	47.012746
"224267"	645.39384	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+3H2O+2H"	56.04448
"1511964"	678.43639	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+IsoProp+H"	61.06479
"413839"	648.347788	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+Na+K"	61.952376
"773739"	957.033588	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+Na+K"	61.952376
"1673350"	339.661988	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Na+K"	61.952376
"258775"	1298.758968	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+ACN+Na"	64.015768
"1233671"	681.387368	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+ACN+Na"	64.015768
"1717821"	681.410893	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+NH4+HCOOH"	64.039293
"1182449"	228.779751333333	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+3Na"	68.967654
"1659999"	686.366288	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Na+HCOOH"	68.994688
"164674"	1311.66224	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+2K-H"	76.91904
"600953"	1929.03384	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+2K-H"	76.91904
"1095308"	694.29064	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2K-H"	76.91904
"142161"	656.334758	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"2M+2K"	77.926316
"587311"	965.020558	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"3M+2K"	77.926316
"1072193"	347.648958	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2K"	77.926316
"1106134"	696.305192	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2K+H"	78.933592
"1338144"	696.392807	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+DMSO+H"	79.021207
"1011049"	700.431976	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2ACN+H"	83.060376
"1526137"	701.425608	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+IsoProp+Na+H"	84.054008
"992343"	350.719626	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+2ACN+2H"	84.067652
"1589035"	702.340228	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+K+HCOOH"	84.968628
"1415789"	732.371738	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+H+CF3COOH"	115.000138
"1153731"	371.232901	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+3ACN+2H"	125.094202
"1698179"	749.398285	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+NH4+CF3COOH"	132.026685
"1645495"	754.35368	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+Na+CF3COOH"	136.98208
"1583333"	770.32762	"C20585"	"Lolicine B"	"C38H51NO6"	"617.3716"	"M+K+CF3COOH"	152.95602
"811512"	451.2723	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M"	0
"980670"	432.25391	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-H2O-H"	-19.01839
"78157"	299.840924	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M-3H"	-3.021828
"517223"	450.265024	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M-3H"	-3.021828
"892473"	149.416824	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-3H"	-3.021828
"7038"	450.265024	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M-2H"	-2.014552
"442223"	675.901174	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M-2H"	-2.014552
"823307"	224.628874	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-2H"	-2.014552
"84392"	901.537324	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M-H"	-1.007276
"522861"	1352.809624	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M-H"	-1.007276
"898104"	450.265024	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-H"	-1.007276
"50656"	918.563871	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M-2H+NH4"	16.019271
"489130"	1369.836171	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M-2H+NH4"	16.019271
"867655"	467.291571	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-2H+NH4"	16.019271
"37030"	923.519266	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M-2H+Na"	20.974666
"474403"	1374.791566	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M-2H+Na"	20.974666
"852207"	472.246966	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-2H+Na"	20.974666
"1619552"	472.246966	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Na-2H"	20.974666
"98270"	468.253363	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M-H+Cl"	33.962126
"537829"	693.889513	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M-H+Cl"	33.962126
"927855"	242.617213	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-H+Cl"	33.962126
"272818"	937.514002	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+Cl"	34.969402
"665240"	1388.786302	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+Cl"	34.969402
"1272952"	486.241702	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Cl"	34.969402
"19106"	939.493206	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M-2H+K"	36.948606
"459759"	1390.765506	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M-2H+K"	36.948606
"833181"	488.220906	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-2H+K"	36.948606
"1556671"	488.220906	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+K-2H"	36.948606
"944193"	496.270494	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-H+HCOOH"	44.998194
"364962"	947.542801	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+HCOOH-H"	44.998201
"347022"	961.558451	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+Hac-H"	59.013851
"1494396"	510.286151	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Hac-H"	59.013851
"960481"	518.252451	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-H+NaCOOH"	66.980151
"113398"	486.241702	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+2Cl"	69.938804
"552958"	711.877852	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+2Cl"	69.938804
"1028688"	260.605552	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2Cl"	69.938804
"1244986"	530.191185	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Br"	78.918885
"1307432"	532.247172	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Cl+HCOOH"	80.974872
"1323106"	554.229129	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Cl+NaCOOH"	102.956829
"917814"	564.257886	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M-H+CF3COOH"	112.985586
"1290385"	600.234564	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Cl+CF3COOH"	148.962264
"1369038"	416.259624	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H-2H2O"	-35.012676
"1385804"	434.2696	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H-H2O"	-17.0027
"284033"	903.551876	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+H"	1.007276
"677913"	1354.824176	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+H"	1.007276
"1356813"	452.279576	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H"	1.007276
"130797"	452.279576	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+2H"	2.014552
"575461"	677.915726	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+2H"	2.014552
"1046448"	226.643426	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2H"	2.014552
"209974"	301.855476	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+3H"	3.021828
"648440"	452.279576	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+3H"	3.021828
"1169848"	151.431376	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+3H"	3.021828
"432027"	920.578423	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+NH4"	18.033823
"796303"	1371.850723	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+NH4"	18.033823
"1687166"	469.306123	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+NH4"	18.033823
"334352"	460.7928495	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+H+NH4"	19.041099
"724585"	686.4289995	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+H+NH4"	19.041099
"1480593"	235.1566995	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H+NH4"	19.041099
"394048"	925.533818	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+Na"	22.989218
"755046"	1376.806118	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+Na"	22.989218
"1606550"	474.261518	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Na"	22.989218
"325722"	463.270547	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+H+Na"	23.996494
"720689"	688.906697	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+H+Na"	23.996494
"1474509"	237.634397	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H+Na"	23.996494
"1064846"	158.75869	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2H+Na"	25.00377
"1270527"	484.305786	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+CH3OH+H"	33.033486
"391290"	941.507758	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+K"	38.963158
"751557"	1392.780058	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+K"	38.963158
"1546681"	490.235458	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+K"	38.963158
"300574"	471.257517	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+H+K"	39.970434
"692502"	696.893667	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+H+K"	39.970434
"1446320"	245.621367	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H+K"	39.970434
"237957"	944.578426	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+ACN+H"	42.033826
"1211881"	493.306126	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+ACN+H"	42.033826
"1195521"	247.156701	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+ACN+2H"	43.041102
"189490"	947.51576	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+2Na-H"	44.97116
"638654"	1398.78806	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+2Na-H"	44.97116
"1142162"	496.24346	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2Na-H"	44.97116
"183996"	474.261518	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+2Na"	45.978436
"621737"	699.897668	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+2Na"	45.978436
"1123056"	248.625368	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2Na"	45.978436
"1407672"	166.086004	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H+2Na"	46.985712
"1439785"	498.285046	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H+HCOOH"	47.012746
"226199"	479.29454	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+3H2O+2H"	56.04448
"1512074"	512.33709	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+IsoProp+H"	61.06479
"413949"	482.248488	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+Na+K"	61.952376
"772756"	707.884638	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+Na+K"	61.952376
"1669087"	256.612338	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Na+K"	61.952376
"258884"	966.560368	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+ACN+Na"	64.015768
"1230867"	515.288068	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+ACN+Na"	64.015768
"1717204"	515.311593	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+NH4+HCOOH"	64.039293
"1183652"	173.413318	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+3Na"	68.967654
"1660109"	520.266988	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Na+HCOOH"	68.994688
"164784"	979.46364	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+2K-H"	76.91904
"601063"	1430.73594	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+2K-H"	76.91904
"1098214"	528.19134	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2K-H"	76.91904
"150048"	490.235458	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"2M+2K"	77.926316
"587421"	715.871608	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"3M+2K"	77.926316
"1075218"	264.599308	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2K"	77.926316
"1110617"	530.205892	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2K+H"	78.933592
"1345908"	530.293507	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+DMSO+H"	79.021207
"1013346"	534.332676	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2ACN+H"	83.060376
"1531473"	535.326308	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+IsoProp+Na+H"	84.054008
"996827"	267.669976	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+2ACN+2H"	84.067652
"1591333"	536.240928	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+K+HCOOH"	84.968628
"1422461"	566.272438	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+H+CF3COOH"	115.000138
"1156027"	288.183251	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+3ACN+2H"	125.094202
"1704486"	583.298985	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+NH4+CF3COOH"	132.026685
"1645605"	588.25438	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+Na+CF3COOH"	136.98208
"1583443"	604.22832	"C20586"	"Terpendole G"	"C28H37NO4"	"451.2723"	"M+K+CF3COOH"	152.95602
"811622"	435.2773	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M"	0
"980780"	416.25891	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-H2O-H"	-19.01839
"78512"	289.177590666667	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M-3H"	-3.021828
"517333"	434.270024	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M-3H"	-3.021828
"890761"	144.085157333333	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-3H"	-3.021828
"6055"	434.270024	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M-2H"	-2.014552
"441240"	651.908674	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M-2H"	-2.014552
"823417"	216.631374	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-2H"	-2.014552
"84502"	869.547324	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M-H"	-1.007276
"524065"	1304.824624	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M-H"	-1.007276
"896758"	434.270024	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-H"	-1.007276
"50038"	886.573871	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M-2H+NH4"	16.019271
"488268"	1321.851171	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M-2H+NH4"	16.019271
"866673"	451.296571	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-2H+NH4"	16.019271
"37140"	891.529266	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M-2H+Na"	20.974666
"473419"	1326.806566	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M-2H+Na"	20.974666
"856689"	456.251966	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-2H+Na"	20.974666
"1619416"	456.251966	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Na-2H"	20.974666
"97285"	452.258363	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M-H+Cl"	33.962126
"534407"	669.897013	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M-H+Cl"	33.962126
"927425"	234.619713	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-H+Cl"	33.962126
"273657"	905.524002	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+Cl"	34.969402
"666443"	1340.801302	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+Cl"	34.969402
"1277387"	470.246702	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Cl"	34.969402
"24319"	907.503206	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M-2H+K"	36.948606
"459141"	1342.780506	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M-2H+K"	36.948606
"834510"	472.225906	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-2H+K"	36.948606
"1557268"	472.225906	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+K-2H"	36.948606
"943938"	480.275494	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-H+HCOOH"	44.998194
"365072"	915.552801	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+HCOOH-H"	44.998201
"348955"	929.568451	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+Hac-H"	59.013851
"1496332"	494.291151	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Hac-H"	59.013851
"962416"	502.257451	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-H+NaCOOH"	66.980151
"113508"	470.246702	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+2Cl"	69.938804
"554164"	687.885352	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+2Cl"	69.938804
"1024784"	252.608052	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2Cl"	69.938804
"1245830"	514.196185	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Br"	78.918885
"1307547"	516.252172	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Cl+HCOOH"	80.974872
"1322490"	538.234129	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Cl+NaCOOH"	102.956829
"915010"	548.262886	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M-H+CF3COOH"	112.985586
"1288796"	584.239564	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Cl+CF3COOH"	148.962264
"1368787"	400.264624	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H-2H2O"	-35.012676
"1384096"	418.2746	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H-H2O"	-17.0027
"283415"	871.561876	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+H"	1.007276
"677660"	1306.839176	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+H"	1.007276
"1352914"	436.284576	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H"	1.007276
"126412"	436.284576	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+2H"	2.014552
"576665"	653.923226	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+2H"	2.014552
"1047651"	218.645926	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2H"	2.014552
"214459"	291.192142666667	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+3H"	3.021828
"650738"	436.284576	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+3H"	3.021828
"1166678"	146.099709333333	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+3H"	3.021828
"431046"	888.588423	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+NH4"	18.033823
"793136"	1323.865723	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+NH4"	18.033823
"1686186"	453.311123	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+NH4"	18.033823
"336649"	444.7978495	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+H+NH4"	19.041099
"726883"	662.4364995	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+H+NH4"	19.041099
"1480706"	227.1591995	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H+NH4"	19.041099
"397197"	893.543818	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+Na"	22.989218
"757097"	1328.821118	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+Na"	22.989218
"1605567"	458.266518	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Na"	22.989218
"326197"	447.275547	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+H+Na"	23.996494
"720435"	664.914197	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+H+Na"	23.996494
"1474984"	229.636897	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H+Na"	23.996494
"1064956"	153.427023333333	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2H+Na"	25.00377
"1269913"	468.310786	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+CH3OH+H"	33.033486
"390306"	909.517758	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+K"	38.963158
"751302"	1344.795058	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+K"	38.963158
"1543512"	474.240458	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+K"	38.963158
"301779"	455.262517	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+H+K"	39.970434
"693104"	672.901167	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+H+K"	39.970434
"1446922"	237.623867	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H+K"	39.970434
"236977"	912.588426	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+ACN+H"	42.033826
"1211509"	477.311126	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+ACN+H"	42.033826
"1195029"	239.159201	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+ACN+2H"	43.041102
"189115"	915.52576	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+2Na-H"	44.97116
"637671"	1350.80306	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+2Na-H"	44.97116
"1143004"	480.24846	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2Na-H"	44.97116
"183380"	458.266518	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+2Na"	45.978436
"622942"	675.905168	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+2Na"	45.978436
"1125352"	240.627868	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2Na"	45.978436
"1407782"	160.754337333333	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H+2Na"	46.985712
"1439896"	482.290046	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H+HCOOH"	47.012746
"226313"	463.29954	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+3H2O+2H"	56.04448
"1515471"	496.34209	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+IsoProp+H"	61.06479
"417342"	466.253488	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+Na+K"	61.952376
"775057"	683.892138	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+Na+K"	61.952376
"1668107"	248.614838	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Na+K"	61.952376
"258267"	934.570368	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+ACN+Na"	64.015768
"1234983"	499.293068	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+ACN+Na"	64.015768
"1716222"	499.316593	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+NH4+HCOOH"	64.039293
"1185952"	168.081651333333	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+3Na"	68.967654
"1654752"	504.271988	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Na+HCOOH"	68.994688
"171455"	947.47364	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+2K-H"	76.91904
"604454"	1382.75094	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+2K-H"	76.91904
"1093342"	512.19634	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2K-H"	76.91904
"153438"	474.240458	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"2M+2K"	77.926316
"587531"	691.879108	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"3M+2K"	77.926316
"1073137"	256.601808	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2K"	77.926316
"1109634"	514.210892	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2K+H"	78.933592
"1342743"	514.298507	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+DMSO+H"	79.021207
"1012363"	518.337676	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2ACN+H"	83.060376
"1530488"	519.331308	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+IsoProp+Na+H"	84.054008
"995842"	259.672476	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+2ACN+2H"	84.067652
"1594723"	520.245928	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+K+HCOOH"	84.968628
"1424758"	550.277438	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+H+CF3COOH"	115.000138
"1155045"	280.185751	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+3ACN+2H"	125.094202
"1702410"	567.303985	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+NH4+CF3COOH"	132.026685
"1645715"	572.25938	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+Na+CF3COOH"	136.98208
"1583553"	588.23332	"C20587"	"Paspaline B"	"C28H37NO3"	"435.2773"	"M+K+CF3COOH"	152.95602
"811732"	977.3403	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M"	0
"981983"	958.32191	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-H2O-H"	-19.01839
"68038"	650.552924	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M-3H"	-3.021828
"518052"	976.333024	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M-3H"	-3.021828
"886497"	324.772824	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-3H"	-3.021828
"8352"	976.333024	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M-2H"	-2.014552
"441350"	1465.003174	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M-2H"	-2.014552
"824621"	487.662874	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-2H"	-2.014552
"83519"	1953.673324	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M-H"	-1.007276
"521989"	2931.013624	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M-H"	-1.007276
"895894"	976.333024	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-H"	-1.007276
"48327"	1970.699871	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M-2H+NH4"	16.019271
"489344"	2948.040171	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M-2H+NH4"	16.019271
"864515"	993.359571	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-2H+NH4"	16.019271
"37250"	1975.655266	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M-2H+Na"	20.974666
"475716"	2952.995566	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M-2H+Na"	20.974666
"860078"	998.314966	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-2H+Na"	20.974666
"1627427"	998.314966	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Na-2H"	20.974666
"99581"	994.321363	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M-H+Cl"	33.962126
"546797"	1482.991513	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M-H+Cl"	33.962126
"934843"	505.651213	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-H+Cl"	33.962126
"276685"	1989.650002	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+Cl"	34.969402
"668013"	2966.990302	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+Cl"	34.969402
"1280415"	1012.309702	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Cl"	34.969402
"24066"	1991.629206	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M-2H+K"	36.948606
"458522"	2968.969506	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M-2H+K"	36.948606
"837052"	1014.288906	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-2H+K"	36.948606
"1558352"	1014.288906	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+K-2H"	36.948606
"945871"	1022.338494	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-H+HCOOH"	44.998194
"362993"	1999.678801	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+HCOOH-H"	44.998201
"349432"	2013.694451	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+Hac-H"	59.013851
"1496082"	1036.354151	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Hac-H"	59.013851
"968362"	1044.320451	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-H+NaCOOH"	66.980151
"118725"	1012.309702	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+2Cl"	69.938804
"554274"	1500.979852	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+2Cl"	69.938804
"1034012"	523.639552	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2Cl"	69.938804
"1246304"	1056.259185	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Br"	78.918885
"1307294"	1058.315172	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Cl+HCOOH"	80.974872
"1321145"	1080.297129	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Cl+NaCOOH"	102.956829
"915121"	1090.325886	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M-H+CF3COOH"	112.985586
"1292558"	1126.302564	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Cl+CF3COOH"	148.962264
"1371083"	942.327624	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H-2H2O"	-35.012676
"1384934"	960.3376	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H-H2O"	-17.0027
"284254"	1955.687876	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+H"	1.007276
"681417"	2933.028176	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+H"	1.007276
"1357765"	978.347576	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H"	1.007276
"139402"	978.347576	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+2H"	2.014552
"580669"	1467.017726	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+2H"	2.014552
"1047761"	489.677426	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2H"	2.014552
"218218"	652.567476	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+3H"	3.021828
"655589"	978.347576	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+3H"	3.021828
"1174808"	326.787376	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+3H"	3.021828
"430063"	1972.714423	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+NH4"	18.033823
"793245"	2950.054723	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+NH4"	18.033823
"1685203"	995.374123	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+NH4"	18.033823
"333483"	986.8608495	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+H+NH4"	19.041099
"726269"	1475.5309995	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+H+NH4"	19.041099
"1478993"	498.1906995	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H+NH4"	19.041099
"395488"	1977.669818	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+Na"	22.989218
"755754"	2955.010118	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+Na"	22.989218
"1602877"	1000.329518	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Na"	22.989218
"323011"	989.338547	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+H+Na"	23.996494
"720909"	1478.008697	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+H+Na"	23.996494
"1470354"	500.668397	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H+Na"	23.996494
"1067617"	334.11469	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2H+Na"	25.00377
"1272455"	1010.373786	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+CH3OH+H"	33.033486
"392610"	1993.643758	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+K"	38.963158
"751412"	2970.984058	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+K"	38.963158
"1554924"	1016.303458	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+K"	38.963158
"302985"	997.325517	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+H+K"	39.970434
"695404"	1485.995667	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+H+K"	39.970434
"1449221"	508.655367	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H+K"	39.970434
"237822"	1996.714426	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+ACN+H"	42.033826
"1212718"	1019.374126	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+ACN+H"	42.033826
"1198787"	510.190701	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+ACN+2H"	43.041102
"193845"	1999.65176	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+2Na-H"	44.97116
"640698"	2976.99206	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+2Na-H"	44.97116
"1144573"	1022.31146	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2Na-H"	44.97116
"188279"	1000.329518	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+2Na"	45.978436
"626334"	1488.999668	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+2Na"	45.978436
"1126555"	511.659368	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2Na"	45.978436
"1408985"	341.442004	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H+2Na"	46.985712
"1441831"	1024.353046	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H+HCOOH"	47.012746
"223874"	1005.36254	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+3H2O+2H"	56.04448
"1516675"	1038.40509	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+IsoProp+H"	61.06479
"416359"	1008.316488	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+Na+K"	61.952376
"775167"	1496.986638	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+Na+K"	61.952376
"1670404"	519.646338	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Na+K"	61.952376
"254371"	2018.696368	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+ACN+Na"	64.015768
"1229994"	1041.356068	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+ACN+Na"	64.015768
"1717425"	1041.379593	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+NH4+HCOOH"	64.039293
"1192625"	348.769318	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+3Na"	68.967654
"1657049"	1046.334988	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Na+HCOOH"	68.994688
"169378"	2031.59964	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+2K-H"	76.91904
"610032"	3008.93994	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+2K-H"	76.91904
"1093451"	1054.25934	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2K-H"	76.91904
"154642"	1016.303458	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"2M+2K"	77.926316
"589828"	1504.973608	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"3M+2K"	77.926316
"1077621"	527.633308	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2K"	77.926316
"1109742"	1056.273892	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2K+H"	78.933592
"1347223"	1056.361507	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+DMSO+H"	79.021207
"1015757"	1060.400676	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2ACN+H"	83.060376
"1532790"	1061.394308	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+IsoProp+Na+H"	84.054008
"998140"	530.703976	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+2ACN+2H"	84.067652
"1595925"	1062.308928	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+K+HCOOH"	84.968628
"1428150"	1092.340438	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+H+CF3COOH"	115.000138
"1159530"	551.217251	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+3ACN+2H"	125.094202
"1711269"	1109.366985	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+NH4+CF3COOH"	132.026685
"1644732"	1114.32238	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+Na+CF3COOH"	136.98208
"1583663"	1130.29632	"C20588"	"Tetrabromophenol blue"	"C19H6Br8O5S"	"977.3403"	"M+K+CF3COOH"	152.95602
"808562"	275.0406	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M"	0
"981000"	256.02221	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-H2O-H"	-19.01839
"64868"	182.353124	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M-3H"	-3.021828
"513179"	274.033324	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M-3H"	-3.021828
"886605"	90.672924	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-3H"	-3.021828
"6277"	274.033324	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M-2H"	-2.014552
"440609"	411.553624	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M-2H"	-2.014552
"819263"	136.513024	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-2H"	-2.014552
"78880"	549.073924	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M-H"	-1.007276
"519182"	824.114524	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M-H"	-1.007276
"895838"	274.033324	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-H"	-1.007276
"47824"	566.100471	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M-2H+NH4"	16.019271
"488115"	841.141071	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M-2H+NH4"	16.019271
"864431"	291.059871	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-2H+NH4"	16.019271
"35173"	571.055866	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M-2H+Na"	20.974666
"475826"	846.096466	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M-2H+Na"	20.974666
"856908"	296.015266	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-2H+Na"	20.974666
"1627537"	296.015266	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Na-2H"	20.974666
"94951"	292.021663	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M-H+Cl"	33.962126
"535605"	429.541963	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M-H+Cl"	33.962126
"927156"	154.501363	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-H+Cl"	33.962126
"277889"	585.050602	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+Cl"	34.969402
"671403"	860.091202	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+Cl"	34.969402
"1280525"	310.010002	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Cl"	34.969402
"26363"	587.029806	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M-2H+K"	36.948606
"461550"	862.070406	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M-2H+K"	36.948606
"838258"	311.989206	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-2H+K"	36.948606
"1559559"	311.989206	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+K-2H"	36.948606
"946348"	320.038794	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-H+HCOOH"	44.998194
"363833"	595.079401	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+HCOOH-H"	44.998201
"346336"	609.095051	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+Hac-H"	59.013851
"1500566"	334.054451	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Hac-H"	59.013851
"968472"	342.020751	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-H+NaCOOH"	66.980151
"119199"	310.010002	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+2Cl"	69.938804
"554384"	447.530302	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+2Cl"	69.938804
"1034122"	172.489702	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2Cl"	69.938804
"1246051"	353.959485	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Br"	78.918885
"1308133"	356.015472	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Cl+HCOOH"	80.974872
"1323442"	377.997429	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Cl+NaCOOH"	102.956829
"917055"	388.026186	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M-H+CF3COOH"	112.985586
"1291939"	424.002864	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Cl+CF3COOH"	148.962264
"1375205"	240.027924	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H-2H2O"	-35.012676
"1388327"	258.0379	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H-H2O"	-17.0027
"285825"	551.088476	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+H"	1.007276
"686995"	826.129076	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+H"	1.007276
"1360062"	276.047876	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H"	1.007276
"139757"	276.047876	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+2H"	2.014552
"580782"	413.568176	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+2H"	2.014552
"1048603"	138.527576	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2H"	2.014552
"218453"	184.367676	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+3H"	3.021828
"656431"	276.047876	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+3H"	3.021828
"1175284"	92.687476	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+3H"	3.021828
"430175"	568.115023	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+NH4"	18.033823
"794449"	843.155623	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+NH4"	18.033823
"1687502"	293.074423	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+NH4"	18.033823
"333957"	284.5611495	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+H+NH4"	19.041099
"727472"	422.0814495	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+H+NH4"	19.041099
"1480926"	147.0408495	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H+NH4"	19.041099
"399609"	573.070418	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+Na"	22.989218
"755864"	848.111018	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+Na"	22.989218
"1604328"	298.029818	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Na"	22.989218
"319841"	287.038847	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+H+Na"	23.996494
"716644"	424.559147	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+H+Na"	23.996494
"1469371"	149.518547	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H+Na"	23.996494
"1057145"	100.01479	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2H+Na"	25.00377
"1270492"	308.074086	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+CH3OH+H"	33.033486
"390889"	589.044358	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+K"	38.963158
"752981"	864.084958	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+K"	38.963158
"1553574"	314.003758	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+K"	38.963158
"303095"	295.025817	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+H+K"	39.970434
"693692"	432.546117	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+H+K"	39.970434
"1449331"	157.505517	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H+K"	39.970434
"236026"	592.115026	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+ACN+H"	42.033826
"1212828"	317.074426	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+ACN+H"	42.033826
"1198897"	159.040851	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+ACN+2H"	43.041102
"192862"	595.05236	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+2Na-H"	44.97116
"641537"	870.09296	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+2Na-H"	44.97116
"1142495"	320.01176	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2Na-H"	44.97116
"188228"	298.029818	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+2Na"	45.978436
"627174"	435.550118	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+2Na"	45.978436
"1126665"	160.509518	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2Na"	45.978436
"1409094"	107.342104	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H+2Na"	46.985712
"1440117"	322.053346	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H+HCOOH"	47.012746
"226538"	303.06284	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+3H2O+2H"	56.04448
"1511319"	336.10539	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+IsoProp+H"	61.06479
"414283"	306.016788	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+Na+K"	61.952376
"774184"	443.537088	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+Na+K"	61.952376
"1667234"	168.496488	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Na+K"	61.952376
"254847"	614.096968	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+ACN+Na"	64.015768
"1228648"	339.056368	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+ACN+Na"	64.015768
"1717535"	339.079893	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+NH4+HCOOH"	64.039293
"1185078"	114.669418	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+3Na"	68.967654
"1657159"	344.035288	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Na+HCOOH"	68.994688
"169489"	627.00024	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+2K-H"	76.91904
"604675"	902.04084	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+2K-H"	76.91904
"1088095"	351.95964	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2K-H"	76.91904
"151472"	314.003758	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"2M+2K"	77.926316
"588845"	451.524058	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"3M+2K"	77.926316
"1074451"	176.483458	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2K"	77.926316
"1107665"	353.974192	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2K+H"	78.933592
"1341870"	354.061807	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+DMSO+H"	79.021207
"1015863"	358.100976	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2ACN+H"	83.060376
"1533995"	359.094608	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+IsoProp+Na+H"	84.054008
"998253"	179.554126	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+2ACN+2H"	84.067652
"1596037"	360.009228	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+K+HCOOH"	84.968628
"1424977"	390.040738	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+H+CF3COOH"	115.000138
"1158548"	200.067401	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+3ACN+2H"	125.094202
"1711380"	407.067285	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+NH4+CF3COOH"	132.026685
"1642655"	412.02268	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+Na+CF3COOH"	136.98208
"1583773"	427.99662	"C20589"	"D-Glucosaminate-6-phosphate;2-Amino-2-deoxy-D-gluconate 6-phosphate"	"C6H14NO9P"	"275.0406"	"M+K+CF3COOH"	152.95602
"810858"	575.3108	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M"	0
"982203"	556.29241	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H2O-H"	-19.01839
"66071"	382.533257333333	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-3H"	-3.021828
"511102"	574.303524	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-3H"	-3.021828
"883435"	190.762990666667	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-3H"	-3.021828
"2008"	574.303524	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H"	-2.014552
"441934"	861.958924	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H"	-2.014552
"819373"	286.648124	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H"	-2.014552
"79359"	1149.614324	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-H"	-1.007276
"519413"	1724.925124	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-H"	-1.007276
"896841"	574.303524	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H"	-1.007276
"49270"	1166.640871	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H+NH4"	16.019271
"489198"	1741.951671	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H+NH4"	16.019271
"864697"	591.330071	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H+NH4"	16.019271
"35283"	1171.596266	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H+Na"	20.974666
"478123"	1746.907066	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H+Na"	20.974666
"857018"	596.285466	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H+Na"	20.974666
"1626554"	596.285466	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na-2H"	20.974666
"96520"	592.291863	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-H+Cl"	33.962126
"535351"	879.947263	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-H+Cl"	33.962126
"927191"	304.636463	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+Cl"	33.962126
"267449"	1185.591002	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Cl"	34.969402
"659967"	1760.901802	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+Cl"	34.969402
"1281729"	610.280202	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl"	34.969402
"28660"	1187.570206	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M-2H+K"	36.948606
"460568"	1762.881006	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M-2H+K"	36.948606
"838369"	612.259406	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-2H+K"	36.948606
"1559669"	612.259406	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K-2H"	36.948606
"947552"	620.308994	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+HCOOH"	44.998194
"363942"	1195.619801	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+HCOOH-H"	44.998201
"347093"	1209.635451	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Hac-H"	59.013851
"1500675"	634.324651	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Hac-H"	59.013851
"963843"	642.290951	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+NaCOOH"	66.980151
"113113"	610.280202	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2Cl"	69.938804
"553035"	897.935602	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2Cl"	69.938804
"1025113"	322.624802	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2Cl"	69.938804
"1245068"	654.229685	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Br"	78.918885
"1307515"	656.285672	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl+HCOOH"	80.974872
"1327199"	678.267629	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl+NaCOOH"	102.956829
"917165"	688.296386	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M-H+CF3COOH"	112.985586
"1291685"	724.273064	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Cl+CF3COOH"	148.962264
"1375315"	540.298124	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H-2H2O"	-35.012676
"1388437"	558.3081	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H-H2O"	-17.0027
"287029"	1151.628876	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H"	1.007276
"688199"	1726.939676	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H"	1.007276
"1359079"	576.318076	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H"	1.007276
"138530"	576.318076	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2H"	2.014552
"580768"	863.973476	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2H"	2.014552
"1048713"	288.662676	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2H"	2.014552
"218320"	384.547809333333	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+3H"	3.021828
"657270"	576.318076	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+3H"	3.021828
"1176487"	192.777542666667	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+3H"	3.021828
"432471"	1168.655423	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+NH4"	18.033823
"796745"	1743.966223	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+NH4"	18.033823
"1686518"	593.344623	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+NH4"	18.033823
"334797"	584.8313495	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H+NH4"	19.041099
"727218"	872.4867495	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H+NH4"	19.041099
"1481037"	297.1759495	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+NH4"	19.041099
"398990"	1173.610818	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Na"	22.989218
"756702"	1748.921618	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+Na"	22.989218
"1604072"	598.300018	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na"	22.989218
"321044"	587.309047	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H+Na"	23.996494
"716755"	874.964447	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H+Na"	23.996494
"1469481"	299.653647	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+Na"	23.996494
"1057255"	200.104856666667	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2H+Na"	25.00377
"1269145"	608.344286	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+CH3OH+H"	33.033486
"385168"	1189.584758	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+K"	38.963158
"751268"	1764.895558	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+K"	38.963158
"1552225"	614.273958	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K"	38.963158
"303205"	595.296017	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+H+K"	39.970434
"694531"	882.951417	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+H+K"	39.970434
"1447254"	307.640617	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+K"	39.970434
"236015"	1192.655426	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+ACN+H"	42.033826
"1211845"	617.344626	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+ACN+H"	42.033826
"1199007"	309.175951	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+ACN+2H"	43.041102
"192972"	1195.59276	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2Na-H"	44.97116
"640918"	1770.90356	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2Na-H"	44.97116
"1142605"	620.28196	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2Na-H"	44.97116
"187852"	598.300018	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2Na"	45.978436
"627405"	885.955418	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2Na"	45.978436
"1125682"	310.644618	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2Na"	45.978436
"1405925"	207.432170666667	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+2Na"	46.985712
"1440227"	622.323546	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+HCOOH"	47.012746
"226648"	603.33304	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+3H2O+2H"	56.04448
"1514709"	636.37559	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+IsoProp+H"	61.06479
"413300"	606.286988	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+Na+K"	61.952376
"777574"	893.942388	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+Na+K"	61.952376
"1668437"	318.631588	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na+K"	61.952376
"253864"	1214.637368	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+ACN+Na"	64.015768
"1230944"	639.326568	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+ACN+Na"	64.015768
"1718738"	639.350093	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+NH4+HCOOH"	64.039293
"1186281"	214.759484666667	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+3Na"	68.967654
"1656175"	644.305488	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na+HCOOH"	68.994688
"170692"	1227.54064	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2K-H"	76.91904
"606971"	1802.85144	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2K-H"	76.91904
"1088205"	652.22984	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2K-H"	76.91904
"150488"	614.273958	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"2M+2K"	77.926316
"586768"	901.929358	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"3M+2K"	77.926316
"1077841"	326.618558	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2K"	77.926316
"1106682"	654.244392	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2K+H"	78.933592
"1345259"	654.332007	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+DMSO+H"	79.021207
"1013786"	658.371176	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2ACN+H"	83.060376
"1534104"	659.364808	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+IsoProp+Na+H"	84.054008
"997270"	329.689226	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+2ACN+2H"	84.067652
"1597241"	660.279428	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K+HCOOH"	84.968628
"1426181"	690.310938	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+H+CF3COOH"	115.000138
"1160845"	350.202501	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+3ACN+2H"	125.094202
"1712221"	707.337485	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+NH4+CF3COOH"	132.026685
"1642765"	712.29288	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+Na+CF3COOH"	136.98208
"1583883"	728.26682	"C20590"	"beta-Ergocryptine"	"C32H41N5O5"	"575.3108"	"M+K+CF3COOH"	152.95602
"807688"	444.2876	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M"	0
"975753"	425.26921	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-H2O-H"	-19.01839
"63073"	295.184457333333	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M-3H"	-3.021828
"511212"	443.280324	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M-3H"	-3.021828
"884638"	147.088590666667	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-3H"	-3.021828
"2481"	443.280324	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M-2H"	-2.014552
"440829"	665.424124	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M-2H"	-2.014552
"817902"	221.136524	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-2H"	-2.014552
"78862"	887.567924	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M-H"	-1.007276
"520007"	1331.855524	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M-H"	-1.007276
"897921"	443.280324	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-H"	-1.007276
"49746"	904.594471	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M-2H+NH4"	16.019271
"490037"	1348.882071	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M-2H+NH4"	16.019271
"865410"	460.306871	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-2H+NH4"	16.019271
"34296"	909.549866	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M-2H+Na"	20.974666
"478233"	1353.837466	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M-2H+Na"	20.974666
"851660"	465.262266	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-2H+Na"	20.974666
"1627757"	465.262266	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Na-2H"	20.974666
"96994"	461.268663	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M-H+Cl"	33.962126
"535825"	683.412463	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M-H+Cl"	33.962126
"928111"	239.124863	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-H+Cl"	33.962126
"267602"	923.544602	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+Cl"	34.969402
"660788"	1367.832202	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+Cl"	34.969402
"1282932"	479.257002	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Cl"	34.969402
"25488"	925.523806	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M-2H+K"	36.948606
"462862"	1369.811406	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M-2H+K"	36.948606
"838477"	481.236206	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-2H+K"	36.948606
"1559778"	481.236206	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+K-2H"	36.948606
"946201"	489.285794	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-H+HCOOH"	44.998194
"362955"	933.573401	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+HCOOH-H"	44.998201
"346474"	947.589051	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+Hac-H"	59.013851
"1494220"	503.301451	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Hac-H"	59.013851
"961764"	511.267751	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-H+NaCOOH"	66.980151
"112490"	479.257002	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+2Cl"	69.938804
"550141"	701.400802	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+2Cl"	69.938804
"1022425"	257.113202	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2Cl"	69.938804
"1246271"	523.206485	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Br"	78.918885
"1306530"	525.262472	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Cl+HCOOH"	80.974872
"1326215"	547.244429	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Cl+NaCOOH"	102.956829
"917275"	557.273186	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M-H+CF3COOH"	112.985586
"1290702"	593.249864	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Cl+CF3COOH"	148.962264
"1374332"	409.274924	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H-2H2O"	-35.012676
"1386360"	427.2849	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H-H2O"	-17.0027
"287139"	889.582476	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+H"	1.007276
"687216"	1333.870076	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+H"	1.007276
"1359189"	445.294876	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H"	1.007276
"137546"	445.294876	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+2H"	2.014552
"580755"	667.438676	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+2H"	2.014552
"1049187"	223.151076	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2H"	2.014552
"219641"	297.199009333333	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+3H"	3.021828
"657744"	445.294876	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+3H"	3.021828
"1175868"	149.103142666667	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+3H"	3.021828
"435497"	906.609023	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+NH4"	18.033823
"795762"	1350.896623	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+NH4"	18.033823
"1688815"	462.321423	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+NH4"	18.033823
"337094"	453.8081495	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+H+NH4"	19.041099
"728422"	675.9519495	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+H+NH4"	19.041099
"1484427"	231.6643495	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H+NH4"	19.041099
"398736"	911.564418	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+Na"	22.989218
"756448"	1355.852018	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+Na"	22.989218
"1604911"	467.276818	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Na"	22.989218
"320061"	456.285847	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+H+Na"	23.996494
"714679"	678.429647	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+H+Na"	23.996494
"1469591"	234.142047	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H+Na"	23.996494
"1058458"	156.430456666667	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2H+Na"	25.00377
"1268890"	477.321086	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+CH3OH+H"	33.033486
"386370"	927.538358	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+K"	38.963158
"745178"	1371.825958	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+K"	38.963158
"1542854"	483.250758	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+K"	38.963158
"301122"	464.272817	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+H+K"	39.970434
"694633"	686.416617	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+H+K"	39.970434
"1445939"	242.129017	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H+K"	39.970434
"237412"	930.609026	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+ACN+H"	42.033826
"1210365"	486.321426	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+ACN+H"	42.033826
"1194333"	243.664351	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+ACN+2H"	43.041102
"190043"	933.54636	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+2Na-H"	44.97116
"637018"	1377.83396	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+2Na-H"	44.97116
"1142715"	489.25876	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2Na-H"	44.97116
"187919"	467.276818	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+2Na"	45.978436
"627278"	689.420618	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+2Na"	45.978436
"1129926"	245.133018	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2Na"	45.978436
"1410775"	163.757770666667	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H+2Na"	46.985712
"1439244"	491.300346	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H+HCOOH"	47.012746
"226757"	472.30984	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+3H2O+2H"	56.04448
"1511537"	505.35239	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+IsoProp+H"	61.06479
"412316"	475.263788	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+Na+K"	61.952376
"774404"	697.407588	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+Na+K"	61.952376
"1669640"	253.119988	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Na+K"	61.952376
"252880"	952.590968	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+ACN+Na"	64.015768
"1229961"	508.303368	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+ACN+Na"	64.015768
"1717754"	508.326893	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+NH4+HCOOH"	64.039293
"1183109"	171.085084666667	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+3Na"	68.967654
"1656285"	513.282288	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Na+HCOOH"	68.994688
"165335"	965.49424	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+2K-H"	76.91904
"604895"	1409.78184	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+2K-H"	76.91904
"1088315"	521.20664	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2K-H"	76.91904
"149506"	483.250758	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"2M+2K"	77.926316
"592348"	705.394558	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"3M+2K"	77.926316
"1073579"	261.106958	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2K"	77.926316
"1100834"	523.221192	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2K+H"	78.933592
"1345004"	523.308807	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+DMSO+H"	79.021207
"1011708"	527.347976	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2ACN+H"	83.060376
"1534214"	528.341608	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+IsoProp+Na+H"	84.054008
"998472"	264.177626	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+2ACN+2H"	84.067652
"1596254"	529.256228	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+K+HCOOH"	84.968628
"1423009"	559.287738	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+H+CF3COOH"	115.000138
"1156578"	284.690901	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+3ACN+2H"	125.094202
"1705035"	576.314285	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+NH4+CF3COOH"	132.026685
"1642875"	581.26968	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+Na+CF3COOH"	136.98208
"1583993"	597.24362	"C20591"	"Fusaproliferin;(-)-Fusaproliferin"	"C27H40O5"	"444.2876"	"M+K+CF3COOH"	152.95602
"807798"	98.0004	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M"	0
"975863"	78.98201	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-H2O-H"	-19.01839
"63738"	64.326324	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M-3H"	-3.021828
"514602"	96.993124	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M-3H"	-3.021828
"885842"	31.659524	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-3H"	-3.021828
"3320"	96.993124	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M-2H"	-2.014552
"443978"	145.993324	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M-2H"	-2.014552
"821779"	47.992924	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-2H"	-2.014552
"81771"	194.993524	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M-H"	-1.007276
"519754"	292.993924	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M-H"	-1.007276
"898159"	96.993124	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-H"	-1.007276
"52411"	212.020071	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M-2H+NH4"	16.019271
"494156"	310.020471	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M-2H+NH4"	16.019271
"865768"	114.019671	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-2H+NH4"	16.019271
"34406"	216.975466	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M-2H+Na"	20.974666
"479436"	314.975866	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M-2H+Na"	20.974666
"850677"	118.975066	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-2H+Na"	20.974666
"1630054"	118.975066	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Na-2H"	20.974666
"96740"	114.981463	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M-H+Cl"	33.962126
"539582"	163.981663	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M-H+Cl"	33.962126
"928840"	65.981263	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-H+Cl"	33.962126
"268121"	230.970202	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+Cl"	34.969402
"660335"	328.970602	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+Cl"	34.969402
"1278667"	132.969802	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Cl"	34.969402
"23411"	232.949406	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M-2H+K"	36.948606
"461879"	330.949806	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M-2H+K"	36.948606
"837495"	134.949006	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-2H+K"	36.948606
"1560252"	134.949006	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+K-2H"	36.948606
"944487"	142.998594	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-H+HCOOH"	44.998194
"362817"	240.999001	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+HCOOH-H"	44.998201
"347312"	255.014651	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+Hac-H"	59.013851
"1494086"	157.014251	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Hac-H"	59.013851
"959562"	164.980551	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-H+NaCOOH"	66.980151
"114060"	132.969802	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+2Cl"	69.938804
"550941"	181.970002	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+2Cl"	69.938804
"1022290"	83.969602	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2Cl"	69.938804
"1252943"	176.919285	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Br"	78.918885
"1309922"	178.975272	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Cl+HCOOH"	80.974872
"1326325"	200.957229	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Cl+NaCOOH"	102.956829
"920665"	210.985986	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M-H+CF3COOH"	112.985586
"1291905"	246.962664	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Cl+CF3COOH"	148.962264
"1373349"	62.987724	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H-2H2O"	-35.012676
"1389751"	80.9977	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H-H2O"	-17.0027
"292717"	197.008076	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+H"	1.007276
"688420"	295.008476	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+H"	1.007276
"1359299"	99.007676	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H"	1.007276
"138386"	99.007676	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+2H"	2.014552
"581111"	148.007876	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+2H"	2.014552
"1048933"	50.007476	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2H"	2.014552
"219552"	66.340876	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+3H"	3.021828
"658582"	99.007676	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+3H"	3.021828
"1174887"	33.674076	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+3H"	3.021828
"432691"	214.034623	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+NH4"	18.033823
"791500"	312.035023	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+NH4"	18.033823
"1687832"	116.034223	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+NH4"	18.033823
"335018"	107.5209495	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+H+NH4"	19.041099
"728532"	156.5211495	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+H+NH4"	19.041099
"1481258"	58.5207495	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H+NH4"	19.041099
"399939"	218.990018	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+Na"	22.989218
"756559"	316.990418	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+Na"	22.989218
"1605385"	120.989618	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Na"	22.989218
"324546"	109.998647	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+H+Na"	23.996494
"715882"	158.998847	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+H+Na"	23.996494
"1471887"	60.998447	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H+Na"	23.996494
"1059661"	41.00139	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2H+Na"	25.00377
"1268637"	131.033886	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+CH3OH+H"	33.033486
"386480"	234.963958	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+K"	38.963158
"747475"	332.964358	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+K"	38.963158
"1542962"	136.963558	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+K"	38.963158
"301230"	117.985617	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+H+K"	39.970434
"694744"	166.985817	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+H+K"	39.970434
"1447100"	68.985417	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H+K"	39.970434
"238253"	238.034626	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+ACN+H"	42.033826
"1212419"	140.034226	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+ACN+H"	42.033826
"1195694"	70.520751	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+ACN+2H"	43.041102
"190639"	240.97196	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+2Na-H"	44.97116
"629462"	338.97236	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+2Na-H"	44.97116
"1139543"	142.97156	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2Na-H"	44.97116
"185389"	120.989618	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+2Na"	45.978436
"624220"	169.989818	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+2Na"	45.978436
"1127726"	71.989418	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2Na"	45.978436
"1411249"	48.328704	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H+2Na"	46.985712
"1441907"	145.013146	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H+HCOOH"	47.012746
"225772"	126.02264	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+3H2O+2H"	56.04448
"1512741"	159.06519	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+IsoProp+H"	61.06479
"411333"	128.976588	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+Na+K"	61.952376
"770383"	177.976788	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+Na+K"	61.952376
"1667563"	79.976388	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Na+K"	61.952376
"253231"	260.016568	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+ACN+Na"	64.015768
"1228978"	162.016168	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+ACN+Na"	64.015768
"1715677"	162.039693	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+NH4+HCOOH"	64.039293
"1182126"	55.656018	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+3Na"	68.967654
"1650926"	166.995088	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Na+HCOOH"	68.994688
"165445"	272.91984	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+2K-H"	76.91904
"605005"	370.92024	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+2K-H"	76.91904
"1090611"	174.91944	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2K-H"	76.91904
"143055"	136.963558	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"2M+2K"	77.926316
"586990"	185.963758	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"3M+2K"	77.926316
"1073689"	87.963358	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2K"	77.926316
"1101062"	176.933992	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2K+H"	78.933592
"1336355"	177.021607	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+DMSO+H"	79.021207
"1014006"	181.060776	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2ACN+H"	83.060376
"1533226"	182.054408	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+IsoProp+Na+H"	84.054008
"999674"	91.034026	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+2ACN+2H"	84.067652
"1596368"	182.969028	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+K+HCOOH"	84.968628
"1424215"	213.000538	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+H+CF3COOH"	115.000138
"1155595"	111.547301	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+3ACN+2H"	125.094202
"1705145"	230.027085	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+NH4+CF3COOH"	132.026685
"1642985"	234.98248	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+Na+CF3COOH"	136.98208
"1584103"	250.95642	"C20592"	"Moniliformin"	"C4H2O3"	"98.0004"	"M+K+CF3COOH"	152.95602
"811188"	437.2566	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M"	0
"978160"	418.23821	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-H2O-H"	-19.01839
"66399"	290.497124	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M-3H"	-3.021828
"514712"	436.249324	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M-3H"	-3.021828
"885953"	144.744924	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-3H"	-3.021828
"6712"	436.249324	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M-2H"	-2.014552
"451737"	654.877624	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M-2H"	-2.014552
"824075"	217.621024	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-2H"	-2.014552
"80911"	873.505924	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M-H"	-1.007276
"519743"	1310.762524	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M-H"	-1.007276
"899241"	436.249324	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-H"	-1.007276
"52522"	890.532471	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M-2H+NH4"	16.019271
"492081"	1327.789071	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M-2H+NH4"	16.019271
"865513"	453.275871	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-2H+NH4"	16.019271
"34516"	895.487866	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M-2H+Na"	20.974666
"478453"	1332.744466	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M-2H+Na"	20.974666
"850787"	458.231266	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-2H+Na"	20.974666
"1630164"	458.231266	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Na-2H"	20.974666
"96850"	454.237663	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M-H+Cl"	33.962126
"537506"	672.865963	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M-H+Cl"	33.962126
"930289"	235.609363	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-H+Cl"	33.962126
"268479"	909.482602	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+Cl"	34.969402
"661264"	1346.739202	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+Cl"	34.969402
"1278777"	472.226002	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Cl"	34.969402
"23521"	911.461806	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M-2H+K"	36.948606
"461989"	1348.718406	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M-2H+K"	36.948606
"837606"	474.205206	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-2H+K"	36.948606
"1560362"	474.205206	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+K-2H"	36.948606
"946787"	482.254794	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-H+HCOOH"	44.998194
"361961"	919.511401	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+HCOOH-H"	44.998201
"351073"	933.527051	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+Hac-H"	59.013851
"1494076"	496.270451	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Hac-H"	59.013851
"960036"	504.236751	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-H+NaCOOH"	66.980151
"112346"	472.226002	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+2Cl"	69.938804
"550440"	690.854302	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+2Cl"	69.938804
"1021672"	253.597702	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2Cl"	69.938804
"1250865"	516.175485	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Br"	78.918885
"1312220"	518.231472	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Cl+HCOOH"	80.974872
"1330809"	540.213429	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Cl+NaCOOH"	102.956829
"920775"	550.242186	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M-H+CF3COOH"	112.985586
"1296389"	586.218864	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Cl+CF3COOH"	148.962264
"1373459"	402.243924	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H-2H2O"	-35.012676
"1388768"	420.2539	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H-H2O"	-17.0027
"291734"	875.520476	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+H"	1.007276
"686343"	1312.777076	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+H"	1.007276
"1364876"	438.263876	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H"	1.007276
"138860"	438.263876	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+2H"	2.014552
"580853"	656.892176	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+2H"	2.014552
"1051959"	219.635576	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2H"	2.014552
"214027"	292.511676	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+3H"	3.021828
"657965"	438.263876	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+3H"	3.021828
"1177187"	146.759476	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+3H"	3.021828
"430614"	892.547023	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+NH4"	18.033823
"794890"	1329.803623	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+NH4"	18.033823
"1685757"	455.290423	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+NH4"	18.033823
"335493"	446.7771495	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+H+NH4"	19.041099
"729737"	665.4054495	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+H+NH4"	19.041099
"1482097"	228.1488495	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H+NH4"	19.041099
"397130"	897.502418	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+Na"	22.989218
"761041"	1334.759018	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+Na"	22.989218
"1606589"	460.245818	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Na"	22.989218
"322470"	449.254847	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+H+Na"	23.996494
"715992"	667.883147	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+H+Na"	23.996494
"1469811"	230.626547	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H+Na"	23.996494
"1061957"	154.08679	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2H+Na"	25.00377
"1268382"	470.290086	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+CH3OH+H"	33.033486
"384404"	913.476358	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+K"	38.963158
"745399"	1350.732958	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+K"	38.963158
"1541249"	476.219758	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+K"	38.963158
"299029"	457.241817	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+H+K"	39.970434
"693762"	675.870117	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+H+K"	39.970434
"1446241"	238.613517	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H+K"	39.970434
"237273"	916.547026	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+ACN+H"	42.033826
"1213261"	479.290426	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+ACN+H"	42.033826
"1195199"	240.148851	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+ACN+2H"	43.041102
"190506"	919.48436	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+2Na-H"	44.97116
"628961"	1356.74096	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+2Na-H"	44.97116
"1137467"	482.22776	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2Na-H"	44.97116
"185499"	460.245818	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+2Na"	45.978436
"622508"	678.874118	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+2Na"	45.978436
"1127107"	241.617518	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2Na"	45.978436
"1410266"	161.414104	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H+2Na"	46.985712
"1444205"	484.269346	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H+HCOOH"	47.012746
"224060"	465.27884	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+3H2O+2H"	56.04448
"1515037"	498.32139	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+IsoProp+H"	61.06479
"410349"	468.232788	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+Na+K"	61.952376
"771342"	686.861088	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+Na+K"	61.952376
"1670954"	249.604488	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Na+K"	61.952376
"255287"	938.528968	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+ACN+Na"	64.015768
"1231275"	501.272368	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+ACN+Na"	64.015768
"1717975"	501.295893	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+NH4+HCOOH"	64.039293
"1183329"	168.741418	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+3Na"	68.967654
"1658690"	506.251288	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Na+HCOOH"	68.994688
"171022"	951.43224	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+2K-H"	76.91904
"609489"	1388.68884	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+2K-H"	76.91904
"1097281"	514.17564	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2K-H"	76.91904
"151912"	476.219758	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"2M+2K"	77.926316
"584913"	694.848058	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"3M+2K"	77.926316
"1079266"	257.591458	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2K"	77.926316
"1108101"	516.190192	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2K+H"	78.933592
"1342299"	516.277807	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+DMSO+H"	79.021207
"1013023"	520.316976	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2ACN+H"	83.060376
"1530055"	521.310608	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+IsoProp+Na+H"	84.054008
"997597"	260.662126	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+2ACN+2H"	84.067652
"1597571"	522.225228	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+K+HCOOH"	84.968628
"1424325"	552.256738	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+H+CF3COOH"	115.000138
"1153516"	281.175401	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+3ACN+2H"	125.094202
"1703068"	569.283285	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+NH4+CF3COOH"	132.026685
"1643095"	574.23868	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+Na+CF3COOH"	136.98208
"1584213"	590.21262	"C20593"	"beta-Paxitriol;10beta-Hydroxypaxilline"	"C27H35NO4"	"437.2566"	"M+K+CF3COOH"	152.95602
"811299"	657.4393	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M"	0
"978270"	638.42091	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-H2O-H"	-19.01839
"67605"	437.285590666667	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M-3H"	-3.021828
"512636"	656.432024	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M-3H"	-3.021828
"889343"	218.139157333333	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-3H"	-3.021828
"5730"	656.432024	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M-2H"	-2.014552
"449661"	985.151674	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M-2H"	-2.014552
"823095"	327.712374	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-2H"	-2.014552
"83087"	1313.871324	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M-H"	-1.007276
"518874"	1971.310624	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M-H"	-1.007276
"898257"	656.432024	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-H"	-1.007276
"48623"	1330.897871	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M-2H+NH4"	16.019271
"489278"	1988.337171	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M-2H+NH4"	16.019271
"865015"	673.458571	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-2H+NH4"	16.019271
"33530"	1335.853266	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M-2H+Na"	20.974666
"476373"	1993.292566	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M-2H+Na"	20.974666
"859281"	678.413966	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-2H+Na"	20.974666
"1632098"	678.413966	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Na-2H"	20.974666
"100243"	674.420363	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M-H+Cl"	33.962126
"537616"	1003.140013	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M-H+Cl"	33.962126
"930034"	345.700713	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-H+Cl"	33.962126
"270780"	1349.848002	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+Cl"	34.969402
"667576"	2007.287302	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+Cl"	34.969402
"1282171"	692.408702	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Cl"	34.969402
"25818"	1351.827206	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M-2H+K"	36.948606
"460273"	2009.266506	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M-2H+K"	36.948606
"843183"	694.387906	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-2H+K"	36.948606
"1560108"	694.387906	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+K-2H"	36.948606
"945805"	702.437494	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-H+HCOOH"	44.998194
"364019"	1359.876801	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+HCOOH-H"	44.998201
"348266"	1373.892451	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+Hac-H"	59.013851
"1501115"	716.453151	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Hac-H"	59.013851
"962095"	724.419451	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-H+NaCOOH"	66.980151
"114281"	692.408702	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+2Cl"	69.938804
"550675"	1021.128352	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+2Cl"	69.938804
"1021620"	363.689052	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2Cl"	69.938804
"1254256"	736.358185	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Br"	78.918885
"1315610"	738.414172	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Cl+HCOOH"	80.974872
"1332012"	760.396129	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Cl+NaCOOH"	102.956829
"920885"	770.424886	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M-H+CF3COOH"	112.985586
"1301967"	806.401564	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Cl+CF3COOH"	148.962264
"1379037"	622.426624	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H-2H2O"	-35.012676
"1392158"	640.4366	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H-H2O"	-17.0027
"294031"	1315.885876	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+H"	1.007276
"690950"	1973.325176	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+H"	1.007276
"1364624"	658.446576	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H"	1.007276
"141416"	658.446576	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+2H"	2.014552
"581087"	987.166226	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+2H"	2.014552
"1051705"	329.726926	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2H"	2.014552
"219485"	439.300142666667	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+3H"	3.021828
"659816"	658.446576	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+3H"	3.021828
"1178459"	220.153709333333	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+3H"	3.021828
"436925"	1332.912423	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+NH4"	18.033823
"797190"	1990.351723	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+NH4"	18.033823
"1692429"	675.473123	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+NH4"	18.033823
"339612"	666.9598495	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+H+NH4"	19.041099
"733128"	995.6794995	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+H+NH4"	19.041099
"1485852"	338.2401995	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H+NH4"	19.041099
"400160"	1337.867818	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+Na"	22.989218
"761156"	1995.307118	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+Na"	22.989218
"1610347"	680.428518	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Na"	22.989218
"321487"	669.437547	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+H+Na"	23.996494
"718289"	998.157197	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+H+Na"	23.996494
"1471382"	340.717897	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H+Na"	23.996494
"1063165"	227.481023333333	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2H+Na"	25.00377
"1268130"	690.472786	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+CH3OH+H"	33.033486
"388529"	1353.841758	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+K"	38.963158
"750980"	2011.281058	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+K"	38.963158
"1548657"	696.402458	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+K"	38.963158
"306925"	677.424517	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+H+K"	39.970434
"700439"	1006.144167	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+H+K"	39.970434
"1450976"	348.704867	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H+K"	39.970434
"239577"	1356.912426	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+ACN+H"	42.033826
"1213376"	699.473126	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+ACN+H"	42.033826
"1197261"	350.240201	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+ACN+2H"	43.041102
"193413"	1359.84976	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+2Na-H"	44.97116
"636253"	2017.28906	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+2Na-H"	44.97116
"1139765"	702.41046	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2Na-H"	44.97116
"187435"	680.428518	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+2Na"	45.978436
"628211"	1009.148168	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+2Na"	45.978436
"1130989"	351.708868	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2Na"	45.978436
"1413619"	234.808337333333	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H+2Na"	46.985712
"1442494"	704.452046	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H+HCOOH"	47.012746
"227088"	685.46154	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+3H2O+2H"	56.04448
"1514054"	718.50409	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+IsoProp+H"	61.06479
"411187"	688.415488	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+Na+K"	61.952376
"772548"	1017.135138	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+Na+K"	61.952376
"1673250"	359.695838	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Na+K"	61.952376
"255397"	1378.894368	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+ACN+Na"	64.015768
"1233572"	721.455068	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+ACN+Na"	64.015768
"1719177"	721.478593	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+NH4+HCOOH"	64.039293
"1184532"	242.135651333333	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+3Na"	68.967654
"1658800"	726.433988	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Na+HCOOH"	68.994688
"166758"	1391.79764	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+2K-H"	76.91904
"607414"	2049.23694	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+2K-H"	76.91904
"1098486"	734.35834	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2K-H"	76.91904
"154211"	696.402458	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"2M+2K"	77.926316
"589398"	1025.122108	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"3M+2K"	77.926316
"1081565"	367.682808	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2K"	77.926316
"1111492"	736.372892	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2K+H"	78.933592
"1341319"	736.460507	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+DMSO+H"	79.021207
"1010942"	740.499676	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2ACN+H"	83.060376
"1531258"	741.493308	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+IsoProp+Na+H"	84.054008
"999894"	370.753476	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+2ACN+2H"	84.067652
"1596588"	742.407928	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+K+HCOOH"	84.968628
"1424435"	772.439438	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+H+CF3COOH"	115.000138
"1153626"	391.266751	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+3ACN+2H"	125.094202
"1703178"	789.465985	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+NH4+CF3COOH"	132.026685
"1643204"	794.42138	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+Na+CF3COOH"	136.98208
"1584323"	810.39532	"C20594"	"2021-Diprenylterpendole J"	"C42H59NO5"	"657.4393"	"M+K+CF3COOH"	152.95602
"808128"	655.4237	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M"	0
"976193"	636.40531	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-H2O-H"	-19.01839
"66620"	435.941857333333	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M-3H"	-3.021828
"507279"	654.416424	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M-3H"	-3.021828
"885079"	217.467290666667	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-3H"	-3.021828
"2922"	654.416424	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M-2H"	-2.014552
"450865"	982.128274	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M-2H"	-2.014552
"819924"	326.704574	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-2H"	-2.014552
"83197"	1309.840124	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M-H"	-1.007276
"518545"	1965.263824	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M-H"	-1.007276
"895701"	654.416424	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-H"	-1.007276
"47287"	1326.866671	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M-2H+NH4"	16.019271
"487358"	1982.290371	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M-2H+NH4"	16.019271
"864348"	671.442971	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-2H+NH4"	16.019271
"31691"	1331.822066	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M-2H+Na"	20.974666
"472148"	1987.245766	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M-2H+Na"	20.974666
"851002"	676.398366	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-2H+Na"	20.974666
"1629291"	676.398366	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Na-2H"	20.974666
"100353"	672.404763	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M-H+Cl"	33.962126
"534722"	1000.116613	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M-H+Cl"	33.962126
"927544"	344.692913	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-H+Cl"	33.962126
"270525"	1345.816802	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+Cl"	34.969402
"665500"	2001.240502	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+Cl"	34.969402
"1280093"	690.393102	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Cl"	34.969402
"21556"	1347.796006	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M-2H+K"	36.948606
"460019"	2003.219706	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M-2H+K"	36.948606
"833076"	692.372306	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-2H+K"	36.948606
"1562405"	692.372306	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+K-2H"	36.948606
"945915"	700.421894	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-H+HCOOH"	44.998194
"365223"	1355.845601	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+HCOOH-H"	44.998201
"349107"	1369.861251	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+Hac-H"	59.013851
"1501225"	714.437551	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Hac-H"	59.013851
"961112"	722.403851	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-H+NaCOOH"	66.980151
"114391"	690.393102	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+2Cl"	69.938804
"550664"	1018.104952	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+2Cl"	69.938804
"1021811"	362.681252	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2Cl"	69.938804
"1249991"	734.342585	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Br"	78.918885
"1315720"	736.398572	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Cl+HCOOH"	80.974872
"1334069"	758.380529	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Cl+NaCOOH"	102.956829
"918809"	768.409286	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M-H+CF3COOH"	112.985586
"1299889"	804.385964	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Cl+CF3COOH"	148.962264
"1379146"	620.411024	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H-2H2O"	-35.012676
"1392269"	638.421	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H-H2O"	-17.0027
"294141"	1311.854676	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+H"	1.007276
"686562"	1967.278376	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+H"	1.007276
"1363640"	656.430976	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H"	1.007276
"141317"	656.430976	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+2H"	2.014552
"581197"	984.142826	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+2H"	2.014552
"1052179"	328.719126	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2H"	2.014552
"218623"	437.956409333333	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+3H"	3.021828
"659239"	656.430976	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+3H"	3.021828
"1177770"	219.481842666667	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+3H"	3.021828
"434117"	1328.881223	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+NH4"	18.033823
"795111"	1984.304923	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+NH4"	18.033823
"1690351"	673.457523	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+NH4"	18.033823
"336442"	664.9442495	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+H+NH4"	19.041099
"732143"	992.6560995	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+H+NH4"	19.041099
"1484869"	337.2323995	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H+NH4"	19.041099
"399177"	1333.836618	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+Na"	22.989218
"761265"	1989.260318	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+Na"	22.989218
"1606084"	678.412918	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Na"	22.989218
"321597"	667.421947	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+H+Na"	23.996494
"714027"	995.133797	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+H+Na"	23.996494
"1467847"	339.710097	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H+Na"	23.996494
"1063275"	226.809156666667	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2H+Na"	25.00377
"1269333"	688.457186	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+CH3OH+H"	33.033486
"386083"	1349.810558	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+K"	38.963158
"748904"	2005.234258	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+K"	38.963158
"1550954"	694.386858	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+K"	38.963158
"307035"	675.408917	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+H+K"	39.970434
"697270"	1003.120767	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+H+K"	39.970434
"1452180"	347.697067	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H+K"	39.970434
"239687"	1352.881226	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+ACN+H"	42.033826
"1211664"	697.457526	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+ACN+H"	42.033826
"1195913"	349.232401	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+ACN+2H"	43.041102
"191337"	1355.81856	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+2Na-H"	44.97116
"635270"	2011.24226	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+2Na-H"	44.97116
"1138782"	700.39486	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2Na-H"	44.97116
"187545"	678.412918	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+2Na"	45.978436
"628243"	1006.124768	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+2Na"	45.978436
"1131291"	350.701068	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2Na"	45.978436
"1413648"	234.136470666667	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H+2Na"	46.985712
"1441875"	702.436446	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H+HCOOH"	47.012746
"226105"	683.44594	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+3H2O+2H"	56.04448
"1513072"	716.48849	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+IsoProp+H"	61.06479
"414944"	686.399888	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+Na+K"	61.952376
"772658"	1014.111738	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+Na+K"	61.952376
"1668258"	358.688038	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Na+K"	61.952376
"256601"	1374.863168	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+ACN+Na"	64.015768
"1233683"	719.439468	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+ACN+Na"	64.015768
"1723662"	719.462993	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+NH4+HCOOH"	64.039293
"1190110"	241.463784666667	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+3Na"	68.967654
"1656724"	724.418388	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Na+HCOOH"	68.994688
"164680"	1387.76644	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+2K-H"	76.91904
"607524"	2043.19014	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+2K-H"	76.91904
"1097507"	732.34274	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2K-H"	76.91904
"151770"	694.386858	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"2M+2K"	77.926316
"591694"	1022.098708	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"3M+2K"	77.926316
"1079487"	366.675008	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2K"	77.926316
"1110510"	734.357292	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2K+H"	78.933592
"1343617"	734.444907	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+DMSO+H"	79.021207
"1014332"	738.484076	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2ACN+H"	83.060376
"1533552"	739.477708	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+IsoProp+Na+H"	84.054008
"998910"	369.745676	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+2ACN+2H"	84.067652
"1598884"	740.392328	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+K+HCOOH"	84.968628
"1423452"	770.423838	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+H+CF3COOH"	115.000138
"1153736"	390.258951	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+3ACN+2H"	125.094202
"1704382"	787.450385	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+NH4+CF3COOH"	132.026685
"1643314"	792.40578	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+Na+CF3COOH"	136.98208
"1584433"	808.37972	"C20595"	"2021-Diprenylterpendole C"	"C42H57NO5"	"655.4237"	"M+K+CF3COOH"	152.95602
"810425"	567.3349	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M"	0
"978490"	548.31651	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-H2O-H"	-19.01839
"74384"	377.215990666667	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M-3H"	-3.021828
"511757"	566.327624	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M-3H"	-3.021828
"886282"	188.104357333333	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-3H"	-3.021828
"7044"	566.327624	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M-2H"	-2.014552
"449882"	849.995074	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M-2H"	-2.014552
"831332"	282.660174	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-2H"	-2.014552
"86587"	1133.662524	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M-H"	-1.007276
"519217"	1700.997424	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M-H"	-1.007276
"896899"	566.327624	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-H"	-1.007276
"49695"	1150.689071	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M-2H+NH4"	16.019271
"489377"	1718.023971	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M-2H+NH4"	16.019271
"869127"	583.354171	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-2H+NH4"	16.019271
"31638"	1155.644466	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M-2H+Na"	20.974666
"472218"	1722.979366	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M-2H+Na"	20.974666
"852206"	588.309566	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-2H+Na"	20.974666
"1629401"	588.309566	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Na-2H"	20.974666
"100463"	584.315963	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M-H+Cl"	33.962126
"536739"	867.983413	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M-H+Cl"	33.962126
"930981"	300.648513	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-H+Cl"	33.962126
"271363"	1169.639202	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+Cl"	34.969402
"667067"	1736.974102	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+Cl"	34.969402
"1280204"	602.304302	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Cl"	34.969402
"20573"	1171.618406	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M-2H+K"	36.948606
"460858"	1738.953306	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M-2H+K"	36.948606
"836469"	604.283506	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-2H+K"	36.948606
"1560328"	604.283506	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+K-2H"	36.948606
"945656"	612.333094	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-H+HCOOH"	44.998194
"364240"	1179.668001	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+HCOOH-H"	44.998201
"349216"	1193.683651	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+Hac-H"	59.013851
"1494769"	626.348751	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Hac-H"	59.013851
"960849"	634.315051	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-H+NaCOOH"	66.980151
"113036"	602.304302	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+2Cl"	69.938804
"553688"	885.971752	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+2Cl"	69.938804
"1023220"	318.636852	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2Cl"	69.938804
"1251194"	646.253785	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Br"	78.918885
"1315830"	648.309772	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Cl+HCOOH"	80.974872
"1334298"	670.291729	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Cl+NaCOOH"	102.956829
"921105"	680.320486	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M-H+CF3COOH"	112.985586
"1299999"	716.297164	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Cl+CF3COOH"	148.962264
"1372695"	532.322224	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H-2H2O"	-35.012676
"1392379"	550.3322	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H-H2O"	-17.0027
"297656"	1135.677076	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+H"	1.007276
"688859"	1703.011976	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+H"	1.007276
"1365208"	568.342176	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H"	1.007276
"140895"	568.342176	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+2H"	2.014552
"576564"	852.009626	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+2H"	2.014552
"1051924"	284.674726	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2H"	2.014552
"216545"	379.230542666667	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+3H"	3.021828
"659025"	568.342176	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+3H"	3.021828
"1176788"	190.118909333333	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+3H"	3.021828
"436414"	1152.703623	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+NH4"	18.033823
"797410"	1720.038523	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+NH4"	18.033823
"1688274"	585.368723	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+NH4"	18.033823
"340926"	576.8554495	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+H+NH4"	19.041099
"735533"	860.5228995	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+H+NH4"	19.041099
"1482793"	293.1879995	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H+NH4"	19.041099
"399287"	1157.659018	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+Na"	22.989218
"762470"	1724.993918	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+Na"	22.989218
"1605461"	590.324118	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Na"	22.989218
"324988"	579.333147	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+H+Na"	23.996494
"717408"	863.000597	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+H+Na"	23.996494
"1472322"	295.665697	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H+Na"	23.996494
"1054631"	197.446223333333	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2H+Na"	25.00377
"1269079"	600.368386	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+CH3OH+H"	33.033486
"388379"	1173.632958	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+K"	38.963158
"751922"	1740.967858	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+K"	38.963158
"1551060"	606.298058	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+K"	38.963158
"300580"	587.320117	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+H+K"	39.970434
"698472"	870.987567	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+H+K"	39.970434
"1450103"	303.652667	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H+K"	39.970434
"236517"	1176.703626	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+ACN+H"	42.033826
"1212506"	609.368726	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+ACN+H"	42.033826
"1197483"	305.188001	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+ACN+2H"	43.041102
"195821"	1179.64096	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+2Na-H"	44.97116
"634287"	1746.97586	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+2Na-H"	44.97116
"1139985"	612.30606	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2Na-H"	44.97116
"186563"	590.324118	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+2Na"	45.978436
"627098"	873.991568	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+2Na"	45.978436
"1129631"	306.656668	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2Na"	45.978436
"1412059"	204.773537333333	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H+2Na"	46.985712
"1441985"	614.347646	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H+HCOOH"	47.012746
"225122"	595.35714	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+3H2O+2H"	56.04448
"1514275"	628.39969	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+IsoProp+H"	61.06479
"417240"	598.311088	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+Na+K"	61.952376
"776048"	881.978538	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+Na+K"	61.952376
"1673470"	314.643638	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Na+K"	61.952376
"258899"	1198.685568	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+ACN+Na"	64.015768
"1240356"	631.350668	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+ACN+Na"	64.015768
"1725960"	631.374193	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+NH4+HCOOH"	64.039293
"1192411"	212.100851333333	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+3Na"	68.967654
"1663395"	636.329588	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Na+HCOOH"	68.994688
"165884"	1211.58884	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+2K-H"	76.91904
"607272"	1778.92374	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+2K-H"	76.91904
"1093974"	644.25394	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2K-H"	76.91904
"150062"	606.298058	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"2M+2K"	77.926316
"589618"	889.965508	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"3M+2K"	77.926316
"1077777"	322.630608	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2K"	77.926316
"1105156"	646.268492	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2K+H"	78.933592
"1340447"	646.356107	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+DMSO+H"	79.021207
"1014442"	650.395276	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2ACN+H"	83.060376
"1532569"	651.388908	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+IsoProp+Na+H"	84.054008
"991603"	325.701276	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+2ACN+2H"	84.067652
"1598629"	652.303528	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+K+HCOOH"	84.968628
"1425745"	682.335038	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+H+CF3COOH"	115.000138
"1153846"	346.214551	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+3ACN+2H"	125.094202
"1702305"	699.361585	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+NH4+CF3COOH"	132.026685
"1643424"	704.31698	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+Na+CF3COOH"	136.98208
"1584543"	720.29092	"C20596"	"Penitrem D"	"C37H45NO4"	"567.3349"	"M+K+CF3COOH"	152.95602
"816889"	599.3247	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M"	0
"987715"	580.30631	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-H2O-H"	-19.01839
"74498"	398.542524	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M-3H"	-3.021828
"508590"	598.317424	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M-3H"	-3.021828
"894049"	198.767624	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-3H"	-3.021828
"7156"	598.317424	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M-2H"	-2.014552
"448902"	897.979774	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M-2H"	-2.014552
"825609"	298.655074	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-2H"	-2.014552
"86697"	1197.642124	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M-H"	-1.007276
"519941"	1796.966824	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M-H"	-1.007276
"898590"	598.317424	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-H"	-1.007276
"48955"	1214.668671	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M-2H+NH4"	16.019271
"490339"	1813.993371	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M-2H+NH4"	16.019271
"869237"	615.343971	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-2H+NH4"	16.019271
"31911"	1219.624066	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M-2H+Na"	20.974666
"472450"	1818.948766	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M-2H+Na"	20.974666
"854504"	620.299366	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-2H+Na"	20.974666
"1629511"	620.299366	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Na-2H"	20.974666
"100572"	616.305763	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M-H+Cl"	33.962126
"539037"	915.968113	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M-H+Cl"	33.962126
"932914"	316.643413	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-H+Cl"	33.962126
"271473"	1233.618802	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+Cl"	34.969402
"667906"	1832.943502	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+Cl"	34.969402
"1283594"	634.294102	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Cl"	34.969402
"21776"	1235.598006	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M-2H+K"	36.948606
"462428"	1834.922706	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M-2H+K"	36.948606
"836579"	636.273306	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-2H+K"	36.948606
"1559345"	636.273306	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+K-2H"	36.948606
"945769"	644.322894	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-H+HCOOH"	44.998194
"369817"	1243.647601	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+HCOOH-H"	44.998201
"352607"	1257.663251	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+Hac-H"	59.013851
"1498161"	658.338551	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Hac-H"	59.013851
"961326"	666.304851	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-H+NaCOOH"	66.980151
"113878"	634.294102	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+2Cl"	69.938804
"553436"	933.956452	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+2Cl"	69.938804
"1023331"	334.631752	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2Cl"	69.938804
"1255926"	678.243585	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Br"	78.918885
"1318128"	680.299572	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Cl+HCOOH"	80.974872
"1335018"	702.281529	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Cl+NaCOOH"	102.956829
"923038"	712.310286	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M-H+CF3COOH"	112.985586
"1301932"	748.286964	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Cl+CF3COOH"	148.962264
"1377179"	564.312024	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H-2H2O"	-35.012676
"1394676"	582.322	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H-H2O"	-17.0027
"297160"	1199.656676	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+H"	1.007276
"690063"	1798.981376	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+H"	1.007276
"1366617"	600.331976	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H"	1.007276
"139672"	600.331976	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+2H"	2.014552
"577767"	899.994326	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+2H"	2.014552
"1052039"	300.669626	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2H"	2.014552
"218722"	400.557076	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+3H"	3.021828
"658044"	600.331976	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+3H"	3.021828
"1175077"	200.782176	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+3H"	3.021828
"434340"	1216.683223	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+NH4"	18.033823
"795334"	1816.007923	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+NH4"	18.033823
"1690572"	617.358523	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+NH4"	18.033823
"338850"	608.8452495	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+H+NH4"	19.041099
"735279"	908.5075995	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+H+NH4"	19.041099
"1488371"	309.1828995	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H+NH4"	19.041099
"399396"	1221.638618	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+Na"	22.989218
"759299"	1820.963318	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+Na"	22.989218
"1606666"	622.313918	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Na"	22.989218
"326191"	611.322947	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+H+Na"	23.996494
"715331"	910.985297	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+H+Na"	23.996494
"1472432"	311.660597	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H+Na"	23.996494
"1064586"	208.10949	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2H+Na"	25.00377
"1271741"	632.358186	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+CH3OH+H"	33.033486
"390313"	1237.612558	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+K"	38.963158
"749117"	1836.937258	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+K"	38.963158
"1551170"	638.287858	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+K"	38.963158
"301783"	619.309917	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+H+K"	39.970434
"698583"	918.972267	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+H+K"	39.970434
"1450213"	319.647567	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H+K"	39.970434
"237719"	1240.683226	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+ACN+H"	42.033826
"1212372"	641.358526	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+ACN+H"	42.033826
"1199411"	321.182901	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+ACN+2H"	43.041102
"195932"	1243.62056	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+2Na-H"	44.97116
"635496"	1842.94526	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+2Na-H"	44.97116
"1135722"	644.29586	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2Na-H"	44.97116
"188134"	622.313918	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+2Na"	45.978436
"626964"	921.976268	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+2Na"	45.978436
"1130228"	322.651568	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2Na"	45.978436
"1413631"	215.436804	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H+2Na"	46.985712
"1443555"	646.337446	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H+HCOOH"	47.012746
"225232"	627.34694	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+3H2O+2H"	56.04448
"1514386"	660.38949	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+IsoProp+H"	61.06479
"415164"	630.300888	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+Na+K"	61.952376
"779441"	929.963238	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+Na+K"	61.952376
"1676864"	330.638538	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Na+K"	61.952376
"263020"	1262.665168	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+ACN+Na"	64.015768
"1239008"	663.340468	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+ACN+Na"	64.015768
"1726442"	663.363993	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+NH4+HCOOH"	64.039293
"1192889"	222.764118	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+3Na"	68.967654
"1662414"	668.319388	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Na+HCOOH"	68.994688
"170735"	1275.56844	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+2K-H"	76.91904
"609202"	1874.89314	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+2K-H"	76.91904
"1095535"	676.24374	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2K-H"	76.91904
"150900"	638.287858	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"2M+2K"	77.926316
"590823"	937.950208	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"3M+2K"	77.926316
"1079345"	338.625508	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2K"	77.926316
"1110730"	678.258292	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2K+H"	78.933592
"1343837"	678.345907	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+DMSO+H"	79.021207
"1016738"	682.385076	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2ACN+H"	83.060376
"1534865"	683.378708	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+IsoProp+Na+H"	84.054008
"991475"	341.696176	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+2ACN+2H"	84.067652
"1598007"	684.293328	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+K+HCOOH"	84.968628
"1415404"	714.324838	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+H+CF3COOH"	115.000138
"1152862"	362.209451	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+3ACN+2H"	125.094202
"1703509"	731.351385	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+NH4+CF3COOH"	132.026685
"1639159"	736.30678	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+Na+CF3COOH"	136.98208
"1574811"	752.28072	"C20597"	"Penitrem E"	"C37H45NO6"	"599.3247"	"M+K+CF3COOH"	152.95602
"817042"	617.2908	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M"	0
"988919"	598.27241	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-H2O-H"	-19.01839
"71327"	410.519924	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M-3H"	-3.021828
"511980"	616.283524	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M-3H"	-3.021828
"891972"	204.756324	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-3H"	-3.021828
"12734"	616.283524	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M-2H"	-2.014552
"450106"	924.928924	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M-2H"	-2.014552
"825720"	307.638124	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-2H"	-2.014552
"86809"	1233.574324	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M-H"	-1.007276
"524183"	1850.865124	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M-H"	-1.007276
"897608"	616.283524	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-H"	-1.007276
"48093"	1250.600871	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M-2H+NH4"	16.019271
"489356"	1867.891671	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M-2H+NH4"	16.019271
"870441"	633.310071	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-2H+NH4"	16.019271
"35064"	1255.556266	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M-2H+Na"	20.974666
"478999"	1872.847066	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M-2H+Na"	20.974666
"854613"	638.265466	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-2H+Na"	20.974666
"1629621"	638.265466	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Na-2H"	20.974666
"100682"	634.271863	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M-H+Cl"	33.962126
"539512"	942.917263	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M-H+Cl"	33.962126
"935940"	325.626463	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-H+Cl"	33.962126
"273406"	1269.551002	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+Cl"	34.969402
"665100"	1886.841802	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+Cl"	34.969402
"1284797"	652.260202	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Cl"	34.969402
"25166"	1271.530206	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M-2H+K"	36.948606
"463631"	1888.821006	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M-2H+K"	36.948606
"840337"	654.239406	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-2H+K"	36.948606
"1560548"	654.239406	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+K-2H"	36.948606
"945151"	662.288994	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-H+HCOOH"	44.998194
"366646"	1279.579801	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+HCOOH-H"	44.998201
"352717"	1293.595451	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+Hac-H"	59.013851
"1500458"	676.304651	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Hac-H"	59.013851
"964718"	684.270951	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-H+NaCOOH"	66.980151
"112528"	652.260202	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+2Cl"	69.938804
"556462"	960.905602	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+2Cl"	69.938804
"1024170"	343.614802	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2Cl"	69.938804
"1256929"	696.209685	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Br"	78.918885
"1319702"	698.265672	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Cl+HCOOH"	80.974872
"1335095"	720.247629	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Cl+NaCOOH"	102.956829
"926068"	730.276386	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M-H+CF3COOH"	112.985586
"1303385"	766.253064	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Cl+CF3COOH"	148.962264
"1378383"	582.278124	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H-2H2O"	-35.012676
"1394786"	600.2881	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H-H2O"	-17.0027
"296663"	1235.588876	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+H"	1.007276
"690176"	1852.879676	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+H"	1.007276
"1367028"	618.298076	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H"	1.007276
"140510"	618.298076	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+2H"	2.014552
"578971"	926.943476	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+2H"	2.014552
"1052473"	309.652676	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2H"	2.014552
"217495"	412.534476	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+3H"	3.021828
"656332"	618.298076	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+3H"	3.021828
"1174824"	206.770876	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+3H"	3.021828
"435180"	1252.615423	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+NH4"	18.033823
"795444"	1869.906223	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+NH4"	18.033823
"1691410"	635.324623	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+NH4"	18.033823
"342607"	626.8113495	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+H+NH4"	19.041099
"736121"	935.4567495	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+H+NH4"	19.041099
"1489211"	318.1659495	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H+NH4"	19.041099
"402788"	1257.570818	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+Na"	22.989218
"763781"	1874.861618	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+Na"	22.989218
"1607868"	640.280018	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Na"	22.989218
"326302"	629.289047	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+H+Na"	23.996494
"715441"	937.934447	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+H+Na"	23.996494
"1472542"	320.643647	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H+Na"	23.996494
"1065790"	214.09819	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2H+Na"	25.00377
"1272337"	650.324286	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+CH3OH+H"	33.033486
"391151"	1273.544758	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+K"	38.963158
"747040"	1890.835558	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+K"	38.963158
"1549093"	656.253958	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+K"	38.963158
"302987"	637.276017	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+H+K"	39.970434
"701973"	945.921417	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+H+K"	39.970434
"1454698"	328.630617	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H+K"	39.970434
"243299"	1276.615426	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+ACN+H"	42.033826
"1213820"	659.324626	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+ACN+H"	42.033826
"1198431"	330.165951	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+ACN+2H"	43.041102
"196044"	1279.55276	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+2Na-H"	44.97116
"637792"	1896.84356	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+2Na-H"	44.97116
"1141298"	662.26196	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2Na-H"	44.97116
"188365"	640.280018	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+2Na"	45.978436
"627806"	948.925418	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+2Na"	45.978436
"1131069"	331.634618	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2Na"	45.978436
"1413821"	221.425504	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H+2Na"	46.985712
"1445003"	664.303546	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H+HCOOH"	47.012746
"230809"	645.31304	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+3H2O+2H"	56.04448
"1517776"	678.35559	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+IsoProp+H"	61.06479
"418555"	648.266988	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+Na+K"	61.952376
"783560"	956.912388	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+Na+K"	61.952376
"1678432"	339.621588	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Na+K"	61.952376
"266294"	1298.597368	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+ACN+Na"	64.015768
"1240336"	681.306568	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+ACN+Na"	64.015768
"1727161"	681.330093	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+NH4+HCOOH"	64.039293
"1193485"	228.752818	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+3Na"	68.967654
"1663985"	686.285488	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Na+HCOOH"	68.994688
"171207"	1311.50064	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+2K-H"	76.91904
"610771"	1928.79144	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+2K-H"	76.91904
"1096739"	694.20984	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2K-H"	76.91904
"153195"	656.253958	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"2M+2K"	77.926316
"593121"	964.899358	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"3M+2K"	77.926316
"1080547"	347.608558	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2K"	77.926316
"1106469"	696.224392	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2K+H"	78.933592
"1341761"	696.312007	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+DMSO+H"	79.021207
"1016849"	700.351176	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2ACN+H"	83.060376
"1533882"	701.344808	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+IsoProp+Na+H"	84.054008
"993770"	350.679226	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+2ACN+2H"	84.067652
"1598117"	702.259428	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+K+HCOOH"	84.968628
"1415756"	732.290938	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+H+CF3COOH"	115.000138
"1152972"	371.192501	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+3ACN+2H"	125.094202
"1703619"	749.317485	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+NH4+CF3COOH"	132.026685
"1638176"	754.27288	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+Na+CF3COOH"	136.98208
"1574921"	770.24682	"C20598"	"Penitrem F"	"C37H44ClNO5"	"617.2908"	"M+K+CF3COOH"	152.95602
"815986"	633.2857	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M"	0
"989151"	614.26731	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-H2O-H"	-19.01839
"73624"	421.183190666667	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M-3H"	-3.021828
"512090"	632.278424	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M-3H"	-3.021828
"890989"	210.087957333333	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-3H"	-3.021828
"9564"	632.278424	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M-2H"	-2.014552
"452403"	948.921274	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M-2H"	-2.014552
"824737"	315.635574	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-2H"	-2.014552
"89105"	1265.564124	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M-H"	-1.007276
"523198"	1898.849824	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M-H"	-1.007276
"897230"	632.278424	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-H"	-1.007276
"48202"	1282.590671	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M-2H+NH4"	16.019271
"488614"	1915.876371	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M-2H+NH4"	16.019271
"870551"	649.304971	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-2H+NH4"	16.019271
"36267"	1287.546066	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M-2H+Na"	20.974666
"481296"	1920.831766	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M-2H+Na"	20.974666
"854723"	654.260366	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-2H+Na"	20.974666
"1630823"	654.260366	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Na-2H"	20.974666
"104072"	650.266763	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M-H+Cl"	33.962126
"542537"	966.909613	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M-H+Cl"	33.962126
"938237"	333.623913	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-H+Cl"	33.962126
"275702"	1301.540802	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+Cl"	34.969402
"665939"	1934.826502	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+Cl"	34.969402
"1283813"	668.255102	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Cl"	34.969402
"25276"	1303.520006	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M-2H+K"	36.948606
"464834"	1936.805706	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M-2H+K"	36.948606
"841540"	670.234306	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-2H+K"	36.948606
"1558835"	670.234306	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+K-2H"	36.948606
"946717"	678.283894	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-H+HCOOH"	44.998194
"367849"	1311.569601	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+HCOOH-H"	44.998201
"353920"	1325.585251	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+Hac-H"	59.013851
"1495101"	692.299551	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Hac-H"	59.013851
"962639"	700.265851	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-H+NaCOOH"	66.980151
"111544"	668.255102	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+2Cl"	69.938804
"557666"	984.897952	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+2Cl"	69.938804
"1028652"	351.612252	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2Cl"	69.938804
"1253712"	712.204585	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Br"	78.918885
"1319567"	714.260572	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Cl+HCOOH"	80.974872
"1334878"	736.242529	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Cl+NaCOOH"	102.956829
"926421"	746.271286	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M-H+CF3COOH"	112.985586
"1303816"	782.247964	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Cl+CF3COOH"	148.962264
"1378493"	598.273024	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H-2H2O"	-35.012676
"1397330"	616.283	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H-H2O"	-17.0027
"297624"	1267.578676	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+H"	1.007276
"689192"	1900.864376	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+H"	1.007276
"1366271"	634.292976	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H"	1.007276
"139891"	634.292976	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+2H"	2.014552
"580174"	950.935826	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+2H"	2.014552
"1051409"	317.650126	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2H"	2.014552
"216876"	423.197742666667	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+3H"	3.021828
"657535"	634.292976	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+3H"	3.021828
"1175300"	212.102509333333	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+3H"	3.021828
"437476"	1284.605223	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+NH4"	18.033823
"797377"	1917.890923	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+NH4"	18.033823
"1688238"	651.319523	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+NH4"	18.033823
"340165"	642.8062495	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+H+NH4"	19.041099
"733679"	959.4490995	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+H+NH4"	19.041099
"1488592"	326.1633995	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H+NH4"	19.041099
"401804"	1289.560618	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+Na"	22.989218
"760610"	1922.846318	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+Na"	22.989218
"1608707"	656.274918	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Na"	22.989218
"325319"	645.283947	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+H+Na"	23.996494
"714458"	961.926797	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+H+Na"	23.996494
"1471559"	328.641097	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H+Na"	23.996494
"1065171"	219.429823333333	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2H+Na"	25.00377
"1271957"	666.319186	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+CH3OH+H"	33.033486
"390532"	1305.534558	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+K"	38.963158
"747150"	1938.820258	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+K"	38.963158
"1549203"	672.248858	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+K"	38.963158
"303097"	653.270917	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+H+K"	39.970434
"698802"	969.913767	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+H+K"	39.970434
"1450433"	336.628067	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H+K"	39.970434
"241222"	1308.605226	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+ACN+H"	42.033826
"1213930"	675.319526	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+ACN+H"	42.033826
"1198540"	338.163401	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+ACN+2H"	43.041102
"195061"	1311.54256	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+2Na-H"	44.97116
"638995"	1944.82826	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+2Na-H"	44.97116
"1139222"	678.25686	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2Na-H"	44.97116
"187379"	656.274918	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+2Na"	45.978436
"628427"	972.917768	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+2Na"	45.978436
"1130689"	339.632068	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2Na"	45.978436
"1414125"	226.757137333333	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H+2Na"	46.985712
"1445316"	680.298446	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H+HCOOH"	47.012746
"230919"	661.30794	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+3H2O+2H"	56.04448
"1515700"	694.35049	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+IsoProp+H"	61.06479
"420852"	664.261888	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+Na+K"	61.952376
"782577"	980.904738	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+Na+K"	61.952376
"1680000"	347.619038	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Na+K"	61.952376
"266857"	1330.587168	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+ACN+Na"	64.015768
"1238864"	697.301468	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+ACN+Na"	64.015768
"1727267"	697.324993	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+NH4+HCOOH"	64.039293
"1193596"	234.084451333333	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+3Na"	68.967654
"1663731"	702.280388	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Na+HCOOH"	68.994688
"171321"	1343.49044	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+2K-H"	76.91904
"611249"	1976.77614	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+2K-H"	76.91904
"1096123"	710.20474	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2K-H"	76.91904
"151483"	672.248858	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"2M+2K"	77.926316
"592867"	988.891708	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"3M+2K"	77.926316
"1078472"	355.606008	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2K"	77.926316
"1106579"	712.219292	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2K+H"	78.933592
"1341871"	712.306907	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+DMSO+H"	79.021207
"1014773"	716.346076	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2ACN+H"	83.060376
"1531805"	717.339708	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+IsoProp+Na+H"	84.054008
"997161"	358.676676	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+2ACN+2H"	84.067652
"1599315"	718.254328	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+K+HCOOH"	84.968628
"1417324"	748.285838	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+H+CF3COOH"	115.000138
"1155269"	379.189951	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+3ACN+2H"	125.094202
"1702637"	765.312385	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+NH4+CF3COOH"	132.026685
"1639379"	770.26778	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+Na+CF3COOH"	136.98208
"1575031"	786.24172	"C20599"	"Pennigritrem"	"C37H44ClNO6"	"633.2857"	"M+K+CF3COOH"	152.95602
"815973"	585.3454	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M"	0
"989143"	566.32701	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-H2O-H"	-19.01839
"77745"	389.222990666667	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M-3H"	-3.021828
"515481"	584.338124	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M-3H"	-3.021828
"888913"	194.107857333333	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-3H"	-3.021828
"7487"	584.338124	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M-2H"	-2.014552
"447046"	877.010824	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M-2H"	-2.014552
"822660"	291.665424	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-2H"	-2.014552
"87028"	1169.683524	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M-H"	-1.007276
"524401"	1755.028924	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M-H"	-1.007276
"901107"	584.338124	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-H"	-1.007276
"51107"	1186.710071	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M-2H+NH4"	16.019271
"491763"	1772.055471	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M-2H+NH4"	16.019271
"871754"	601.364671	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-2H+NH4"	16.019271
"35284"	1191.665466	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M-2H+Na"	20.974666
"484687"	1777.010866	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M-2H+Na"	20.974666
"862124"	606.320066	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-2H+Na"	20.974666
"1622183"	606.320066	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Na-2H"	20.974666
"107095"	602.326463	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M-H+Cl"	33.962126
"538635"	894.999163	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M-H+Cl"	33.962126
"939440"	309.653763	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-H+Cl"	33.962126
"273624"	1205.660202	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+Cl"	34.969402
"664586"	1791.005602	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+Cl"	34.969402
"1282828"	620.314802	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Cl"	34.969402
"17729"	1207.639406	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M-2H+K"	36.948606
"458383"	1792.984806	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M-2H+K"	36.948606
"833308"	622.294006	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-2H+K"	36.948606
"1556391"	622.294006	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+K-2H"	36.948606
"943181"	630.343594	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-H+HCOOH"	44.998194
"363214"	1215.689001	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+HCOOH-H"	44.998201
"348562"	1229.704651	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+Hac-H"	59.013851
"1495211"	644.359251	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Hac-H"	59.013851
"959591"	652.325551	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-H+NaCOOH"	66.980151
"110925"	620.314802	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+2Cl"	69.938804
"551943"	912.987502	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+2Cl"	69.938804
"1022561"	327.642102	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2Cl"	69.938804
"1256616"	664.264285	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Br"	78.918885
"1318093"	666.320272	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Cl+HCOOH"	80.974872
"1334866"	688.302229	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Cl+NaCOOH"	102.956829
"924826"	698.330986	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M-H+CF3COOH"	112.985586
"1302876"	734.307664	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Cl+CF3COOH"	148.962264
"1379697"	550.332724	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H-2H2O"	-35.012676
"1395007"	568.3427	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H-H2O"	-17.0027
"294694"	1171.698076	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+H"	1.007276
"688940"	1757.043476	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+H"	1.007276
"1366707"	586.352676	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H"	1.007276
"140002"	586.352676	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+2H"	2.014552
"580169"	879.025376	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+2H"	2.014552
"1050916"	293.679976	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2H"	2.014552
"217724"	391.237542666667	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+3H"	3.021828
"655825"	586.352676	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+3H"	3.021828
"1174681"	196.122409333333	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+3H"	3.021828
"429202"	1188.724623	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+NH4"	18.033823
"788370"	1774.070023	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+NH4"	18.033823
"1686160"	603.379223	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+NH4"	18.033823
"335899"	594.8659495	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+H+NH4"	19.041099
"732696"	887.5386495	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+H+NH4"	19.041099
"1485422"	302.1932495	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H+NH4"	19.041099
"398634"	1193.680018	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+Na"	22.989218
"760721"	1779.025418	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+Na"	22.989218
"1608819"	608.334618	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Na"	22.989218
"319960"	597.343647	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+H+Na"	23.996494
"709222"	890.016347	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+H+Na"	23.996494
"1466202"	304.670947	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H+Na"	23.996494
"1059448"	203.449723333333	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2H+Na"	25.00377
"1270976"	618.378886	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+CH3OH+H"	33.033486
"392754"	1209.653958	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+K"	38.963158
"748357"	1794.999358	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+K"	38.963158
"1549313"	624.308558	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+K"	38.963158
"299927"	605.330617	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+H+K"	39.970434
"702194"	898.003317	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+H+K"	39.970434
"1456012"	312.657917	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H+K"	39.970434
"240238"	1212.724626	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+ACN+H"	42.033826
"1218416"	627.379226	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+ACN+H"	42.033826
"1202298"	314.193251	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+ACN+2H"	43.041102
"197358"	1215.66196	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+2Na-H"	44.97116
"638012"	1801.00736	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+2Na-H"	44.97116
"1142612"	630.31656	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2Na-H"	44.97116
"187370"	608.334618	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+2Na"	45.978436
"627659"	901.007318	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+2Na"	45.978436
"1130559"	315.661918	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2Na"	45.978436
"1412749"	210.777037333333	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H+2Na"	46.985712
"1445102"	632.358146	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H+HCOOH"	47.012746
"228844"	613.36764	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+3H2O+2H"	56.04448
"1515081"	646.41019	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+IsoProp+H"	61.06479
"416588"	616.321588	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+Na+K"	61.952376
"783052"	908.994288	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+Na+K"	61.952376
"1679869"	323.648888	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Na+K"	61.952376
"263713"	1234.706568	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+ACN+Na"	64.015768
"1238979"	649.361168	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+ACN+Na"	64.015768
"1724219"	649.384693	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+NH4+HCOOH"	64.039293
"1193789"	218.104351333333	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+3Na"	68.967654
"1663477"	654.340088	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Na+HCOOH"	68.994688
"170702"	1247.60984	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+2K-H"	76.91904
"609172"	1832.95524	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+2K-H"	76.91904
"1095140"	662.26444	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2K-H"	76.91904
"153415"	624.308558	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"2M+2K"	77.926316
"594437"	916.981258	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"3M+2K"	77.926316
"1081498"	331.635858	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2K"	77.926316
"1110334"	664.278992	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2K+H"	78.933592
"1345262"	664.366607	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+DMSO+H"	79.021207
"1014884"	668.405776	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2ACN+H"	83.060376
"1533008"	669.399408	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+IsoProp+Na+H"	84.054008
"999458"	334.706526	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+2ACN+2H"	84.067652
"1599425"	670.314028	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+K+HCOOH"	84.968628
"1421815"	700.345538	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+H+CF3COOH"	115.000138
"1155385"	355.219801	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+3ACN+2H"	125.094202
"1703840"	717.372085	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+NH4+CF3COOH"	132.026685
"1640585"	722.32748	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+Na+CF3COOH"	136.98208
"1584983"	738.30142	"C20600"	"Janthitrem B"	"C37H47NO5"	"585.3454"	"M+K+CF3COOH"	152.95602
"814255"	569.3505	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M"	0
"987788"	550.33211	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-H2O-H"	-19.01839
"78482"	378.559724	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M-3H"	-3.021828
"513404"	568.343224	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M-3H"	-3.021828
"890116"	188.776224	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-3H"	-3.021828
"10877"	568.343224	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M-2H"	-2.014552
"449343"	853.018474	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M-2H"	-2.014552
"824958"	283.667974	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-2H"	-2.014552
"87140"	1137.693724	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M-H"	-1.007276
"525606"	1707.044224	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M-H"	-1.007276
"903408"	568.343224	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-H"	-1.007276
"50128"	1154.720271	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M-2H+NH4"	16.019271
"491876"	1724.070771	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M-2H+NH4"	16.019271
"867494"	585.369771	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-2H+NH4"	16.019271
"37580"	1159.675666	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M-2H+Na"	20.974666
"479329"	1729.026166	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M-2H+Na"	20.974666
"853850"	590.325166	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-2H+Na"	20.974666
"1620835"	590.325166	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Na-2H"	20.974666
"101009"	586.331563	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M-H+Cl"	33.962126
"538382"	871.006813	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M-H+Cl"	33.962126
"938457"	301.656313	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-H+Cl"	33.962126
"271547"	1173.670402	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+Cl"	34.969402
"663968"	1743.020902	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+Cl"	34.969402
"1281845"	604.319902	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Cl"	34.969402
"18567"	1175.649606	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M-2H+K"	36.948606
"458127"	1745.000106	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M-2H+K"	36.948606
"835198"	606.299106	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-2H+K"	36.948606
"1556865"	606.299106	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+K-2H"	36.948606
"944749"	614.348694	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-H+HCOOH"	44.998194
"362961"	1183.699201	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+HCOOH-H"	44.998201
"349036"	1197.714851	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+Hac-H"	59.013851
"1496416"	628.364351	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Hac-H"	59.013851
"961769"	636.330651	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-H+NaCOOH"	66.980151
"111399"	604.319902	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+2Cl"	69.938804
"553509"	888.995152	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+2Cl"	69.938804
"1023042"	319.644652	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2Cl"	69.938804
"1255996"	648.269385	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Br"	78.918885
"1316376"	650.325372	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Cl+HCOOH"	80.974872
"1327311"	672.307329	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Cl+NaCOOH"	102.956829
"926027"	682.336086	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M-H+CF3COOH"	112.985586
"1303108"	718.312764	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Cl+CF3COOH"	148.962264
"1380900"	534.337824	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H-2H2O"	-35.012676
"1397304"	552.3478	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H-H2O"	-17.0027
"297720"	1139.708276	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+H"	1.007276
"688321"	1709.058776	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+H"	1.007276
"1366490"	570.357776	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H"	1.007276
"140839"	570.357776	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+2H"	2.014552
"581253"	855.033026	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+2H"	2.014552
"1051996"	285.682526	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2H"	2.014552
"218684"	380.574276	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+3H"	3.021828
"656663"	570.357776	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+3H"	3.021828
"1175885"	190.790776	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+3H"	3.021828
"431499"	1156.734823	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+NH4"	18.033823
"793586"	1726.085323	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+NH4"	18.033823
"1689187"	587.384323	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+NH4"	18.033823
"337104"	578.8710495	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+H+NH4"	19.041099
"733898"	863.5462995	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+H+NH4"	19.041099
"1487719"	294.1957995	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H+NH4"	19.041099
"400930"	1161.690218	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+Na"	22.989218
"760833"	1731.040718	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+Na"	22.989218
"1608929"	592.339718	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Na"	22.989218
"320070"	581.348747	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+H+Na"	23.996494
"709211"	866.023997	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+H+Na"	23.996494
"1462544"	296.673497	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H+Na"	23.996494
"1056643"	198.11809	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2H+Na"	25.00377
"1257466"	602.383986	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+CH3OH+H"	33.033486
"377861"	1177.664158	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+K"	38.963158
"738774"	1747.014658	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+K"	38.963158
"1541759"	608.313658	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+K"	38.963158
"298694"	589.335717	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+H+K"	39.970434
"700119"	874.010967	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+H+K"	39.970434
"1455029"	304.660467	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H+K"	39.970434
"241441"	1180.734826	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+ACN+H"	42.033826
"1218526"	611.384326	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+ACN+H"	42.033826
"1201315"	306.195801	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+ACN+2H"	43.041102
"197468"	1183.67216	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+2Na-H"	44.97116
"637029"	1753.02266	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+2Na-H"	44.97116
"1142722"	614.32166	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2Na-H"	44.97116
"187480"	592.339718	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+2Na"	45.978436
"627038"	877.014968	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+2Na"	45.978436
"1130789"	307.664468	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2Na"	45.978436
"1412977"	205.445404	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H+2Na"	46.985712
"1445091"	616.363246	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H+HCOOH"	47.012746
"228954"	597.37274	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+3H2O+2H"	56.04448
"1514827"	630.41529	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+IsoProp+H"	61.06479
"415607"	600.326688	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+Na+K"	61.952376
"780974"	885.001938	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+Na+K"	61.952376
"1680100"	315.651438	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Na+K"	61.952376
"264554"	1202.716768	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+ACN+Na"	64.015768
"1239084"	633.366268	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+ACN+Na"	64.015768
"1726512"	633.389793	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+NH4+HCOOH"	64.039293
"1193328"	212.772718	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+3Na"	68.967654
"1664199"	638.345188	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Na+HCOOH"	68.994688
"171542"	1215.62004	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+2K-H"	76.91904
"610009"	1784.97054	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+2K-H"	76.91904
"1097801"	646.26954	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2K-H"	76.91904
"151336"	608.313658	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"2M+2K"	77.926316
"594909"	892.988908	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"3M+2K"	77.926316
"1080149"	323.638408	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2K"	77.926316
"1111537"	648.284092	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2K+H"	78.933592
"1343912"	648.371707	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+DMSO+H"	79.021207
"1017908"	652.410876	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2ACN+H"	83.060376
"1533117"	653.404508	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+IsoProp+Na+H"	84.054008
"998473"	326.709076	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+2ACN+2H"	84.067652
"1600630"	654.319128	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+K+HCOOH"	84.968628
"1421924"	684.350638	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+H+CF3COOH"	115.000138
"1154400"	347.222351	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+3ACN+2H"	125.094202
"1702857"	701.377185	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+NH4+CF3COOH"	132.026685
"1638507"	706.33258	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+Na+CF3COOH"	136.98208
"1585093"	722.30652	"C20601"	"Janthitrem C"	"C37H47NO4"	"569.3505"	"M+K+CF3COOH"	152.95602
"814365"	172.096	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M"	0
"987898"	153.07761	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-H2O-H"	-19.01839
"75046"	113.723390666667	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M-3H"	-3.021828
"516432"	171.088724	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M-3H"	-3.021828
"894927"	56.3580573333333	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-3H"	-3.021828
"12810"	171.088724	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M-2H"	-2.014552
"448359"	257.136724	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M-2H"	-2.014552
"825068"	85.040724	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-2H"	-2.014552
"89437"	343.184724	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M-H"	-1.007276
"527904"	515.280724	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M-H"	-1.007276
"902426"	171.088724	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-H"	-1.007276
"55706"	360.211271	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M-2H+NH4"	16.019271
"490892"	532.307271	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M-2H+NH4"	16.019271
"867604"	188.115271	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-2H+NH4"	16.019271
"32707"	365.166666	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M-2H+Na"	20.974666
"473243"	537.262666	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M-2H+Na"	20.974666
"853964"	193.070666	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-2H+Na"	20.974666
"1621310"	193.070666	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Na-2H"	20.974666
"102212"	189.077063	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M-H+Cl"	33.962126
"538490"	275.125063	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M-H+Cl"	33.962126
"937473"	103.029063	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-H+Cl"	33.962126
"271657"	379.161402	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+Cl"	34.969402
"662256"	551.257402	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+Cl"	34.969402
"1280861"	207.065402	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Cl"	34.969402
"18313"	381.140606	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M-2H+K"	36.948606
"457508"	553.236606	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M-2H+K"	36.948606
"834220"	209.044606	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-2H+K"	36.948606
"1558800"	209.044606	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+K-2H"	36.948606
"944129"	217.094194	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-H+HCOOH"	44.998194
"364899"	389.190201	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+HCOOH-H"	44.998201
"349873"	403.205851	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+Hac-H"	59.013851
"1497620"	231.109851	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Hac-H"	59.013851
"958840"	239.076151	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-H+NaCOOH"	66.980151
"110900"	207.065402	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+2Cl"	69.938804
"551798"	293.113402	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+2Cl"	69.938804
"1022907"	121.017402	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2Cl"	69.938804
"1250758"	251.014885	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Br"	78.918885
"1316123"	253.070872	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Cl+HCOOH"	80.974872
"1333257"	275.052829	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Cl+NaCOOH"	102.956829
"925774"	285.081586	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M-H+CF3COOH"	112.985586
"1298468"	321.058264	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Cl+CF3COOH"	148.962264
"1381009"	137.083324	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H-2H2O"	-35.012676
"1396320"	155.0933	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H-H2O"	-17.0027
"296006"	345.199276	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+H"	1.007276
"687336"	517.295276	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+H"	1.007276
"1364777"	173.103276	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H"	1.007276
"139124"	173.103276	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+2H"	2.014552
"580751"	259.151276	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+2H"	2.014552
"1051861"	87.055276	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2H"	2.014552
"219399"	115.737942666667	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+3H"	3.021828
"656773"	173.103276	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+3H"	3.021828
"1176604"	58.3726093333333	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+3H"	3.021828
"431243"	362.225823	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+NH4"	18.033823
"792604"	534.321823	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+NH4"	18.033823
"1687476"	190.129823	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+NH4"	18.033823
"334662"	181.6165495	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+H+NH4"	19.041099
"731821"	267.6645495	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+H+NH4"	19.041099
"1484547"	95.5685495	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H+NH4"	19.041099
"401043"	367.181218	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+Na"	22.989218
"758756"	539.277218	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+Na"	22.989218
"1607948"	195.085218	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Na"	22.989218
"320180"	184.094247	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+H+Na"	23.996494
"709321"	270.142247	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+H+Na"	23.996494
"1463262"	98.046247	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H+Na"	23.996494
"1057846"	65.6999233333333	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2H+Na"	25.00377
"1257819"	205.129486	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+CH3OH+H"	33.033486
"379185"	383.155158	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+K"	38.963158
"739818"	555.251158	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+K"	38.963158
"1542233"	211.059158	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+K"	38.963158
"301236"	192.081217	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+H+K"	39.970434
"698036"	278.129217	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+H+K"	39.970434
"1450762"	106.033217	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H+K"	39.970434
"240455"	386.225826	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+ACN+H"	42.033826
"1216442"	214.129826	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+ACN+H"	42.033826
"1199230"	107.568551	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+ACN+2H"	43.041102
"196485"	389.16316	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+2Na-H"	44.97116
"637139"	561.25916	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+2Na-H"	44.97116
"1142832"	217.06716	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2Na-H"	44.97116
"187709"	195.085218	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+2Na"	45.978436
"627755"	281.133218	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+2Na"	45.978436
"1130535"	109.037218	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2Na"	45.978436
"1412844"	73.0272373333333	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H+2Na"	46.985712
"1444720"	219.108746	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H+HCOOH"	47.012746
"225784"	200.11824	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+3H2O+2H"	56.04448
"1516030"	233.16079	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+IsoProp+H"	61.06479
"418997"	203.072188	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+Na+K"	61.952376
"781084"	289.120188	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+Na+K"	61.952376
"1680210"	117.024188	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Na+K"	61.952376
"264664"	408.207768	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+ACN+Na"	64.015768
"1239563"	236.111768	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+ACN+Na"	64.015768
"1725897"	236.135293	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+NH4+HCOOH"	64.039293
"1193440"	80.3545513333333	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+3Na"	68.967654
"1664917"	241.090688	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Na+HCOOH"	68.994688
"170924"	421.11104	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+2K-H"	76.91904
"605744"	593.20704	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+2K-H"	76.91904
"1097912"	249.01504	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2K-H"	76.91904
"152539"	211.059158	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"2M+2K"	77.926316
"595018"	297.107158	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"3M+2K"	77.926316
"1082082"	125.011158	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2K"	77.926316
"1111283"	251.029592	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2K+H"	78.933592
"1343294"	251.117207	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+DMSO+H"	79.021207
"1017290"	255.156376	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2ACN+H"	83.060376
"1534321"	256.150008	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+IsoProp+Na+H"	84.054008
"998584"	128.081826	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+2ACN+2H"	84.067652
"1598552"	257.064628	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+K+HCOOH"	84.968628
"1420941"	287.096138	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+H+CF3COOH"	115.000138
"1154507"	148.595101	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+3ACN+2H"	125.094202
"1700777"	304.122685	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+NH4+CF3COOH"	132.026685
"1638617"	309.07808	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+Na+CF3COOH"	136.98208
"1585203"	325.05202	"C20602"	"L-Enduracididine"	"C6H12N4O2"	"172.096"	"M+K+CF3COOH"	152.95602
"813383"	188.0909	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M"	0
"986915"	169.07251	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-H2O-H"	-19.01839
"72970"	124.386657333333	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M-3H"	-3.021828
"513624"	187.083624	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M-3H"	-3.021828
"894955"	61.6896906666667	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-3H"	-3.021828
"13284"	187.083624	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M-2H"	-2.014552
"447376"	281.129074	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M-2H"	-2.014552
"825178"	93.038174	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-2H"	-2.014552
"91735"	375.174524	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M-H"	-1.007276
"525828"	563.265424	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M-H"	-1.007276
"899620"	187.083624	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-H"	-1.007276
"54723"	392.201071	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M-2H+NH4"	16.019271
"491002"	580.291971	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M-2H+NH4"	16.019271
"870994"	204.110171	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-2H+NH4"	16.019271
"33548"	397.156466	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M-2H+Na"	20.974666
"474079"	585.247366	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M-2H+Na"	20.974666
"851032"	209.065566	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-2H+Na"	20.974666
"1620691"	209.065566	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Na-2H"	20.974666
"102322"	205.071963	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M-H+Cl"	33.962126
"536414"	299.117413	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M-H+Cl"	33.962126
"936490"	111.026513	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-H+Cl"	33.962126
"268487"	411.151202	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+Cl"	34.969402
"662729"	599.242102	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+Cl"	34.969402
"1282064"	223.060302	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Cl"	34.969402
"19152"	413.130406	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M-2H+K"	36.948606
"457254"	601.221306	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M-2H+K"	36.948606
"835423"	225.039506	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-2H+K"	36.948606
"1558910"	225.039506	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+K-2H"	36.948606
"943872"	233.089094	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-H+HCOOH"	44.998194
"365009"	421.180001	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+HCOOH-H"	44.998201
"349983"	435.195651	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+Hac-H"	59.013851
"1496637"	247.104751	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Hac-H"	59.013851
"958950"	255.071051	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-H+NaCOOH"	66.980151
"111374"	223.060302	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+2Cl"	69.938804
"551662"	317.105752	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+2Cl"	69.938804
"1023624"	129.014852	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2Cl"	69.938804
"1250868"	267.009785	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Br"	78.918885
"1316597"	269.065772	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Cl+HCOOH"	80.974872
"1334823"	291.047729	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Cl+NaCOOH"	102.956829
"921871"	301.076486	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M-H+CF3COOH"	112.985586
"1294203"	337.053164	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Cl+CF3COOH"	148.962264
"1377835"	153.078224	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H-2H2O"	-35.012676
"1398214"	171.0882	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H-H2O"	-17.0027
"297937"	377.189076	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+H"	1.007276
"686353"	565.279976	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+H"	1.007276
"1362702"	189.098176	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H"	1.007276
"139598"	189.098176	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+2H"	2.014552
"578429"	283.143626	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+2H"	2.014552
"1051238"	95.052726	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2H"	2.014552
"214035"	126.401209333333	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+3H"	3.021828
"656151"	189.098176	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+3H"	3.021828
"1175735"	63.7042426666667	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+3H"	3.021828
"428800"	394.215623	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+NH4"	18.033823
"790525"	582.306523	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+NH4"	18.033823
"1686490"	206.124723	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+NH4"	18.033823
"339510"	197.6114495	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+H+NH4"	19.041099
"733025"	291.6568995	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+H+NH4"	19.041099
"1482473"	103.5659995	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H+NH4"	19.041099
"396777"	399.171018	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+Na"	22.989218
"757772"	587.261918	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+Na"	22.989218
"1606961"	211.080118	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Na"	22.989218
"319197"	200.089147	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+H+Na"	23.996494
"707314"	294.134597	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+H+Na"	23.996494
"1461546"	106.043697	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H+Na"	23.996494
"1056498"	71.0315566666667	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2H+Na"	25.00377
"1258051"	221.124386	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+CH3OH+H"	33.033486
"378690"	415.144958	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+K"	38.963158
"738835"	603.235858	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+K"	38.963158
"1540044"	227.054058	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+K"	38.963158
"299157"	208.076117	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+H+K"	39.970434
"693773"	302.121567	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+H+K"	39.970434
"1450872"	114.030667	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H+K"	39.970434
"238379"	418.215626	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+ACN+H"	42.033826
"1215459"	230.124726	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+ACN+H"	42.033826
"1196060"	115.566001	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+ACN+2H"	43.041102
"190628"	421.15296	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+2Na-H"	44.97116
"633957"	609.24386	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+2Na-H"	44.97116
"1140755"	233.06206	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2Na-H"	44.97116
"187580"	211.080118	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+2Na"	45.978436
"627622"	305.125568	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+2Na"	45.978436
"1130399"	117.034668	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2Na"	45.978436
"1413076"	78.3588706666667	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H+2Na"	46.985712
"1445437"	235.103646	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H+HCOOH"	47.012746
"235371"	216.11314	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+3H2O+2H"	56.04448
"1515047"	249.15569	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+IsoProp+H"	61.06479
"416920"	219.067088	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+Na+K"	61.952376
"779007"	313.112538	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+Na+K"	61.952376
"1677525"	125.021638	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Na+K"	61.952376
"264043"	440.197568	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+ACN+Na"	64.015768
"1240764"	252.106668	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+ACN+Na"	64.015768
"1726734"	252.130193	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+NH4+HCOOH"	64.039293
"1191725"	85.6861846666667	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+3Na"	68.967654
"1664417"	257.085588	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Na+HCOOH"	68.994688
"170667"	453.10084	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+2K-H"	76.91904
"605854"	641.19174	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+2K-H"	76.91904
"1096928"	265.00994	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2K-H"	76.91904
"149734"	227.054058	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"2M+2K"	77.926316
"594035"	321.099508	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"3M+2K"	77.926316
"1081827"	133.008608	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2K"	77.926316
"1109207"	267.024492	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2K+H"	78.933592
"1344497"	267.112107	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+DMSO+H"	79.021207
"1015941"	271.151276	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2ACN+H"	83.060376
"1533338"	272.144908	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+IsoProp+Na+H"	84.054008
"997602"	136.079276	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+2ACN+2H"	84.067652
"1598662"	273.059528	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+K+HCOOH"	84.968628
"1422144"	303.091038	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+H+CF3COOH"	115.000138
"1154617"	156.592551	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+3ACN+2H"	125.094202
"1700887"	320.117585	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+NH4+CF3COOH"	132.026685
"1636537"	325.07298	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+Na+CF3COOH"	136.98208
"1585313"	341.04692	"C20603"	"(3S)-3-Hydroxy-L-enduracididine"	"C6H12N4O3"	"188.0909"	"M+K+CF3COOH"	152.95602
"815678"	379.1896	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M"	0
"982650"	360.17121	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-H2O-H"	-19.01839
"75266"	251.785790666667	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M-3H"	-3.021828
"514463"	378.182324	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M-3H"	-3.021828
"895106"	125.389257333333	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-3H"	-3.021828
"13394"	378.182324	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M-2H"	-2.014552
"452953"	567.777124	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M-2H"	-2.014552
"825288"	188.587524	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-2H"	-2.014552
"88565"	757.371924	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M-H"	-1.007276
"524844"	1136.561524	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M-H"	-1.007276
"902646"	378.182324	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-H"	-1.007276
"53740"	774.398471	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M-2H+NH4"	16.019271
"493299"	1153.588071	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M-2H+NH4"	16.019271
"874384"	395.208871	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-2H+NH4"	16.019271
"39005"	779.353866	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M-2H+Na"	20.974666
"477471"	1158.543466	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M-2H+Na"	20.974666
"854180"	400.164266	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-2H+Na"	20.974666
"1620801"	400.164266	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Na-2H"	20.974666
"101339"	396.170663	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M-H+Cl"	33.962126
"537619"	585.765463	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M-H+Cl"	33.962126
"938787"	206.575863	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-H+Cl"	33.962126
"274064"	793.348602	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+Cl"	34.969402
"665393"	1172.538202	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+Cl"	34.969402
"1282174"	414.159002	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Cl"	34.969402
"18169"	795.327806	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M-2H+K"	36.948606
"457730"	1174.517406	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M-2H+K"	36.948606
"835533"	416.138206	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-2H+K"	36.948606
"1559021"	416.138206	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+K-2H"	36.948606
"943985"	424.187794	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-H+HCOOH"	44.998194
"364024"	803.377401	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+HCOOH-H"	44.998201
"351187"	817.393051	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+Hac-H"	59.013851
"1498934"	438.203451	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Hac-H"	59.013851
"962098"	446.169751	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-H+NaCOOH"	66.980151
"111121"	414.159002	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+2Cl"	69.938804
"551658"	603.753802	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+2Cl"	69.938804
"1023737"	224.564202	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2Cl"	69.938804
"1250978"	458.108485	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Br"	78.918885
"1317436"	460.164472	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Cl+HCOOH"	80.974872
"1335177"	482.146429	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Cl+NaCOOH"	102.956829
"923074"	492.175186	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M-H+CF3COOH"	112.985586
"1295406"	528.151864	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Cl+CF3COOH"	148.962264
"1380131"	344.176924	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H-2H2O"	-35.012676
"1398440"	362.1869	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H-H2O"	-17.0027
"298045"	759.386476	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+H"	1.007276
"691323"	1138.576076	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+H"	1.007276
"1366851"	380.196876	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H"	1.007276
"141234"	380.196876	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+2H"	2.014552
"578538"	569.791676	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+2H"	2.014552
"1051710"	190.602076	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2H"	2.014552
"217425"	253.800342666667	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+3H"	3.021828
"658080"	380.196876	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+3H"	3.021828
"1176209"	127.403809333333	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+3H"	3.021828
"430005"	776.413023	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+NH4"	18.033823
"795011"	1155.602623	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+NH4"	18.033823
"1691340"	397.223423	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+NH4"	18.033823
"342536"	388.7101495	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+H+NH4"	19.041099
"735322"	578.3049495	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+H+NH4"	19.041099
"1488050"	199.1153495	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H+NH4"	19.041099
"399075"	781.368418	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+Na"	22.989218
"760070"	1160.558018	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+Na"	22.989218
"1610350"	402.178818	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Na"	22.989218
"319307"	391.187847	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+H+Na"	23.996494
"707470"	580.782647	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+H+Na"	23.996494
"1462388"	201.593047	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H+Na"	23.996494
"1054785"	134.731123333333	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2H+Na"	25.00377
"1261564"	412.223086	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+CH3OH+H"	33.033486
"381232"	797.342358	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+K"	38.963158
"741135"	1176.531958	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+K"	38.963158
"1542456"	418.152758	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+K"	38.963158
"301819"	399.174817	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+H+K"	39.970434
"697163"	588.769617	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+H+K"	39.970434
"1455354"	209.580017	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H+K"	39.970434
"239582"	800.413026	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+ACN+H"	42.033826
"1215568"	421.223426	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+ACN+H"	42.033826
"1196169"	211.115351	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+ACN+2H"	43.041102
"193410"	803.35036	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+2Na-H"	44.97116
"635160"	1182.53996	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+2Na-H"	44.97116
"1133935"	424.16076	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2Na-H"	44.97116
"188488"	402.178818	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+2Na"	45.978436
"628423"	591.773618	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+2Na"	45.978436
"1131120"	212.584018	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2Na"	45.978436
"1414002"	142.058437333333	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H+2Na"	46.985712
"1445419"	426.202346	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H+HCOOH"	47.012746
"235651"	407.21184	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+3H2O+2H"	56.04448
"1516250"	440.25439	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+IsoProp+H"	61.06479
"415935"	410.165788	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+Na+K"	61.952376
"780211"	599.760588	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+Na+K"	61.952376
"1681245"	220.570988	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Na+K"	61.952376
"265247"	822.394968	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+ACN+Na"	64.015768
"1241203"	443.205368	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+ACN+Na"	64.015768
"1727575"	443.228893	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+NH4+HCOOH"	64.039293
"1192564"	149.385751333333	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+3Na"	68.967654
"1665456"	448.184288	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Na+HCOOH"	68.994688
"171871"	835.29824	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+2K-H"	76.91904
"607423"	1214.48784	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+2K-H"	76.91904
"1097038"	456.10864	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2K-H"	76.91904
"152032"	418.152758	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"2M+2K"	77.926316
"593416"	607.747558	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"3M+2K"	77.926316
"1081939"	228.557958	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2K"	77.926316
"1108224"	458.123192	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2K+H"	78.933592
"1343513"	458.210807	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+DMSO+H"	79.021207
"1018237"	462.249976	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2ACN+H"	83.060376
"1534541"	463.243608	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+IsoProp+Na+H"	84.054008
"996617"	231.628626	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+2ACN+2H"	84.067652
"1599865"	464.158228	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+K+HCOOH"	84.968628
"1423348"	494.189738	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+H+CF3COOH"	115.000138
"1154726"	252.141901	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+3ACN+2H"	125.094202
"1700997"	511.216285	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+NH4+CF3COOH"	132.026685
"1635554"	516.17168	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+Na+CF3COOH"	136.98208
"1585423"	532.14562	"C20604"	"Fumitremorgin C"	"C22H25N3O3"	"379.1896"	"M+K+CF3COOH"	152.95602
"812508"	411.1794	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M"	0
"982760"	392.16101	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-H2O-H"	-19.01839
"72096"	273.112324	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M-3H"	-3.021828
"514573"	410.172124	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M-3H"	-3.021828
"890557"	136.052524	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-3H"	-3.021828
"14235"	410.172124	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M-2H"	-2.014552
"452701"	615.761824	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M-2H"	-2.014552
"829044"	204.582424	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-2H"	-2.014552
"82114"	821.351524	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M-H"	-1.007276
"518915"	1232.530924	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M-H"	-1.007276
"895821"	410.172124	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-H"	-1.007276
"47404"	838.378071	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M-2H+NH4"	16.019271
"487328"	1249.557471	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M-2H+NH4"	16.019271
"867933"	427.198671	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-2H+NH4"	16.019271
"33647"	843.333466	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M-2H+Na"	20.974666
"471865"	1254.512866	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M-2H+Na"	20.974666
"848772"	432.154066	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-2H+Na"	20.974666
"1619818"	432.154066	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Na-2H"	20.974666
"95253"	428.160463	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M-H+Cl"	33.962126
"535542"	633.750163	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M-H+Cl"	33.962126
"932336"	222.570763	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-H+Cl"	33.962126
"267978"	857.328202	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+Cl"	34.969402
"661128"	1268.507602	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+Cl"	34.969402
"1280098"	446.148802	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Cl"	34.969402
"16092"	859.307406	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M-2H+K"	36.948606
"457840"	1270.486806	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M-2H+K"	36.948606
"833131"	448.128006	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-2H+K"	36.948606
"1556944"	448.128006	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+K-2H"	36.948606
"943483"	456.177594	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-H+HCOOH"	44.998194
"362311"	867.357001	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+HCOOH-H"	44.998201
"349111"	881.372651	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+Hac-H"	59.013851
"1501960"	470.193251	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Hac-H"	59.013851
"961115"	478.159551	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-H+NaCOOH"	66.980151
"110052"	446.148802	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+2Cl"	69.938804
"551039"	651.738502	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+2Cl"	69.938804
"1026033"	240.559102	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2Cl"	69.938804
"1247808"	490.098285	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Br"	78.918885
"1317910"	492.154272	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Cl+HCOOH"	80.974872
"1335044"	514.136229	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Cl+NaCOOH"	102.956829
"923184"	524.164986	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M-H+CF3COOH"	112.985586
"1292237"	560.141664	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Cl+CF3COOH"	148.962264
"1379877"	376.166724	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H-2H2O"	-35.012676
"1398288"	394.1767	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H-H2O"	-17.0027
"296332"	823.366076	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+H"	1.007276
"689483"	1234.545476	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+H"	1.007276
"1360727"	412.186676	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H"	1.007276
"139086"	412.186676	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+2H"	2.014552
"580107"	617.776376	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+2H"	2.014552
"1049999"	206.596976	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2H"	2.014552
"218993"	275.126876	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+3H"	3.021828
"657097"	412.186676	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+3H"	3.021828
"1175952"	138.067076	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+3H"	3.021828
"430844"	840.392623	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+NH4"	18.033823
"795121"	1251.572023	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+NH4"	18.033823
"1688170"	429.213223	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+NH4"	18.033823
"343739"	420.6999495	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+H+NH4"	19.041099
"735432"	626.2896495	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+H+NH4"	19.041099
"1490350"	215.1102495	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H+NH4"	19.041099
"403559"	845.348018	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+Na"	22.989218
"761273"	1256.527418	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+Na"	22.989218
"1612647"	434.168618	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Na"	22.989218
"317231"	423.177647	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+H+Na"	23.996494
"707378"	628.767347	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+H+Na"	23.996494
"1462740"	217.587947	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H+Na"	23.996494
"1054531"	145.39439	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2H+Na"	25.00377
"1257133"	444.212886	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+CH3OH+H"	33.033486
"377207"	861.321958	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+K"	38.963158
"738769"	1272.501358	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+K"	38.963158
"1543296"	450.142558	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+K"	38.963158
"301930"	431.164617	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+H+K"	39.970434
"694716"	636.754317	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+H+K"	39.970434
"1447806"	225.574917	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H+K"	39.970434
"236776"	864.392626	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+ACN+H"	42.033826
"1213492"	453.213226	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+ACN+H"	42.033826
"1195187"	227.110251	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+ACN+2H"	43.041102
"190243"	867.32996	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+2Na-H"	44.97116
"633449"	1278.50936	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+2Na-H"	44.97116
"1133683"	456.15056	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2Na-H"	44.97116
"187673"	434.168618	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+2Na"	45.978436
"628042"	639.758318	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+2Na"	45.978436
"1130578"	228.578918	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2Na"	45.978436
"1412686"	152.721704	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H+2Na"	46.985712
"1445565"	458.192146	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H+HCOOH"	47.012746
"234859"	439.20164	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+3H2O+2H"	56.04448
"1514174"	472.24419	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+IsoProp+H"	61.06479
"413858"	442.155588	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+Na+K"	61.952376
"779227"	647.745288	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+Na+K"	61.952376
"1675557"	236.565888	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Na+K"	61.952376
"263170"	886.374568	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+ACN+Na"	64.015768
"1240823"	475.195168	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+ACN+Na"	64.015768
"1728214"	475.218693	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+NH4+HCOOH"	64.039293
"1190851"	160.049018	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+3Na"	68.967654
"1665119"	480.174088	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Na+HCOOH"	68.994688
"171252"	899.27784	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+2K-H"	76.91904
"607535"	1310.45724	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+2K-H"	76.91904
"1097149"	488.09844	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2K-H"	76.91904
"151051"	450.142558	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"2M+2K"	77.926316
"594622"	655.732258	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"3M+2K"	77.926316
"1083022"	244.552858	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2K"	77.926316
"1110521"	490.112992	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2K+H"	78.933592
"1344718"	490.200607	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+DMSO+H"	79.021207
"1017257"	494.239776	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2ACN+H"	83.060376
"1533558"	495.233408	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+IsoProp+Na+H"	84.054008
"997819"	247.623526	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+2ACN+2H"	84.067652
"1597788"	496.148028	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+K+HCOOH"	84.968628
"1422354"	526.179538	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+H+CF3COOH"	115.000138
"1153744"	268.136801	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+3ACN+2H"	125.094202
"1701107"	543.206085	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+NH4+CF3COOH"	132.026685
"1634935"	548.16148	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+Na+CF3COOH"	136.98208
"1585533"	564.13542	"C20605"	"12alpha13alpha-Dihydroxyfumitremorgin C;1213-Dihydroxyfumitremorgin C"	"C22H25N3O5"	"411.1794"	"M+K+CF3COOH"	152.95602
"816671"	381.2052	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M"	0
"982870"	362.18681	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-H2O-H"	-19.01839
"72206"	253.129524	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M-3H"	-3.021828
"515047"	380.197924	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M-3H"	-3.021828
"894440"	126.061124	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-3H"	-3.021828
"14837"	380.197924	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M-2H"	-2.014552
"454633"	570.800524	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M-2H"	-2.014552
"829154"	189.595324	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-2H"	-2.014552
"89878"	761.403124	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M-H"	-1.007276
"521784"	1142.608324	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M-H"	-1.007276
"901775"	380.197924	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-H"	-1.007276
"56149"	778.429671	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M-2H+NH4"	16.019271
"492063"	1159.634871	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M-2H+NH4"	16.019271
"874605"	397.224471	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-2H+NH4"	16.019271
"33757"	783.385066	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M-2H+Na"	20.974666
"472588"	1164.590266	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M-2H+Na"	20.974666
"854401"	402.179866	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-2H+Na"	20.974666
"1620655"	402.179866	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Na-2H"	20.974666
"96820"	398.186263	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M-H+Cl"	33.962126
"536377"	588.788863	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M-H+Cl"	33.962126
"930622"	207.583663	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-H+Cl"	33.962126
"271365"	797.379802	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+Cl"	34.969402
"661965"	1178.585002	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+Cl"	34.969402
"1281303"	416.174602	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Cl"	34.969402
"24952"	799.359006	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M-2H+K"	36.948606
"457221"	1180.564206	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M-2H+K"	36.948606
"835755"	418.153806	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-2H+K"	36.948606
"1556204"	418.153806	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+K-2H"	36.948606
"949312"	426.203394	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-H+HCOOH"	44.998194
"365341"	807.408601	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+HCOOH-H"	44.998201
"357971"	821.424251	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+Hac-H"	59.013851
"1502434"	440.219051	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Hac-H"	59.013851
"960134"	448.185351	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-H+NaCOOH"	66.980151
"113414"	416.174602	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+2Cl"	69.938804
"551515"	606.777202	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+2Cl"	69.938804
"1022866"	225.572002	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2Cl"	69.938804
"1247918"	460.124085	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Br"	78.918885
"1316927"	462.180072	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Cl+HCOOH"	80.974872
"1333331"	484.162029	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Cl+NaCOOH"	102.956829
"923294"	494.190786	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M-H+CF3COOH"	112.985586
"1290159"	530.167464	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Cl+CF3COOH"	148.962264
"1370510"	346.192524	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H-2H2O"	-35.012676
"1392382"	364.2025	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H-H2O"	-17.0027
"294256"	763.417676	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+H"	1.007276
"684488"	1144.622876	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+H"	1.007276
"1354277"	382.212476	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H"	1.007276
"135914"	382.212476	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+2H"	2.014552
"580218"	572.815076	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+2H"	2.014552
"1050111"	191.609876	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2H"	2.014552
"215825"	255.144076	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+3H"	3.021828
"657937"	382.212476	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+3H"	3.021828
"1175336"	128.075676	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+3H"	3.021828
"429862"	780.444223	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+NH4"	18.033823
"794137"	1161.649423	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+NH4"	18.033823
"1686094"	399.239023	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+NH4"	18.033823
"338745"	390.7257495	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+H+NH4"	19.041099
"732262"	581.3283495	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+H+NH4"	19.041099
"1488270"	200.1231495	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H+NH4"	19.041099
"402574"	785.399618	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+Na"	22.989218
"759196"	1166.604818	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+Na"	22.989218
"1606202"	404.194418	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Na"	22.989218
"318433"	393.203447	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+H+Na"	23.996494
"707693"	583.806047	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+H+Na"	23.996494
"1463581"	202.600847	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H+Na"	23.996494
"1057192"	135.40299	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2H+Na"	25.00377
"1257057"	414.238686	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+CH3OH+H"	33.033486
"377486"	801.373558	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+K"	38.963158
"739170"	1182.578758	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+K"	38.963158
"1540368"	420.168358	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+K"	38.963158
"300949"	401.190417	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+H+K"	39.970434
"695922"	591.793017	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+H+K"	39.970434
"1451201"	210.587817	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H+K"	39.970434
"239802"	804.444226	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+ACN+H"	42.033826
"1214697"	423.239026	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+ACN+H"	42.033826
"1199673"	212.123151	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+ACN+2H"	43.041102
"193636"	807.38156	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+2Na-H"	44.97116
"633562"	1188.58676	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+2Na-H"	44.97116
"1137796"	426.17636	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2Na-H"	44.97116
"185476"	404.194418	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+2Na"	45.978436
"625766"	594.797018	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+2Na"	45.978436
"1129272"	213.591818	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2Na"	45.978436
"1412432"	142.730304	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H+2Na"	46.985712
"1443817"	428.217946	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H+HCOOH"	47.012746
"233878"	409.22744	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+3H2O+2H"	56.04448
"1514284"	442.26999	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+IsoProp+H"	61.06479
"417249"	412.181388	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+Na+K"	61.952376
"778246"	602.783988	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+Na+K"	61.952376
"1675305"	221.578788	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Na+K"	61.952376
"262920"	826.426168	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+ACN+Na"	64.015768
"1238181"	445.220968	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+ACN+Na"	64.015768
"1727433"	445.244493	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+NH4+HCOOH"	64.039293
"1190963"	150.057618	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+3Na"	68.967654
"1661951"	450.199888	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Na+HCOOH"	68.994688
"169541"	839.32944	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+2K-H"	76.91904
"609103"	1220.53464	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+2K-H"	76.91904
"1097625"	458.12424	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2K-H"	76.91904
"150798"	420.168358	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"2M+2K"	77.926316
"596315"	610.770958	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"3M+2K"	77.926316
"1082407"	229.565758	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2K"	77.926316
"1111725"	460.138792	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2K+H"	78.933592
"1341545"	460.226407	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+DMSO+H"	79.021207
"1015908"	464.265576	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2ACN+H"	83.060376
"1534764"	465.259208	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+IsoProp+Na+H"	84.054008
"999751"	232.636426	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+2ACN+2H"	84.067652
"1597898"	466.173828	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+K+HCOOH"	84.968628
"1423558"	496.205338	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+H+CF3COOH"	115.000138
"1153854"	253.149701	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+3ACN+2H"	125.094202
"1700124"	513.231885	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+NH4+CF3COOH"	132.026685
"1635774"	518.18728	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+Na+CF3COOH"	136.98208
"1585643"	534.16122	"C20607"	"Tryprostatin A"	"C22H27N3O3"	"381.2052"	"M+K+CF3COOH"	152.95602
"815773"	107.9978	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M"	0
"982980"	88.97941	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-H2O-H"	-19.01839
"72316"	70.9912573333333	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M-3H"	-3.021828
"515157"	106.990524	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M-3H"	-3.021828
"895235"	34.9919906666667	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-3H"	-3.021828
"14090"	106.990524	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M-2H"	-2.014552
"452190"	160.989424	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M-2H"	-2.014552
"825616"	52.991624	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-2H"	-2.014552
"88894"	214.988324	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M-H"	-1.007276
"521896"	322.986124	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M-H"	-1.007276
"904072"	106.990524	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-H"	-1.007276
"56259"	232.014871	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M-2H+NH4"	16.019271
"493632"	340.012671	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M-2H+NH4"	16.019271
"874715"	124.017071	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-2H+NH4"	16.019271
"39338"	236.970266	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M-2H+Na"	20.974666
"482178"	344.968066	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M-2H+Na"	20.974666
"852325"	128.972466	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-2H+Na"	20.974666
"1620762"	128.972466	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Na-2H"	20.974666
"95108"	124.978863	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M-H+Cl"	33.962126
"536486"	178.977763	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M-H+Cl"	33.962126
"928910"	70.979963	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-H+Cl"	33.962126
"270024"	250.965002	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+Cl"	34.969402
"663536"	358.962802	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+Cl"	34.969402
"1281414"	142.967202	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Cl"	34.969402
"22877"	252.944206	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M-2H+K"	36.948606
"458062"	360.942006	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M-2H+K"	36.948606
"836958"	144.946406	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-2H+K"	36.948606
"1562634"	144.946406	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+K-2H"	36.948606
"955983"	152.995994	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-H+HCOOH"	44.998194
"374565"	260.993801	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+HCOOH-H"	44.998201
"354801"	275.009451	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+Hac-H"	59.013851
"1499264"	167.011651	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Hac-H"	59.013851
"960243"	174.977951	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-H+NaCOOH"	66.980151
"113524"	142.967202	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+2Cl"	69.938804
"553084"	196.966102	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+2Cl"	69.938804
"1026258"	88.968302	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2Cl"	69.938804
"1245841"	186.916685	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Br"	78.918885
"1311569"	188.972672	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Cl+HCOOH"	80.974872
"1331254"	210.954629	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Cl+NaCOOH"	102.956829
"923404"	220.983386	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M-H+CF3COOH"	112.985586
"1292821"	256.960064	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Cl+CF3COOH"	148.962264
"1370620"	72.985124	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H-2H2O"	-35.012676
"1392492"	90.9951	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H-H2O"	-17.0027
"294365"	217.002876	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+H"	1.007276
"679131"	325.000676	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+H"	1.007276
"1354386"	109.005076	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H"	1.007276
"129464"	109.005076	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+2H"	2.014552
"578140"	163.003976	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+2H"	2.014552
"1048760"	55.006176	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2H"	2.014552
"214472"	73.0058093333333	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+3H"	3.021828
"654038"	109.005076	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+3H"	3.021828
"1173254"	37.0065426666667	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+3H"	3.021828
"428149"	234.029423	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+NH4"	18.033823
"789874"	342.027223	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+NH4"	18.033823
"1685109"	126.031623	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+NH4"	18.033823
"334482"	117.5183495	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+H+NH4"	19.041099
"730182"	171.5172495	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+H+NH4"	19.041099
"1482909"	63.5194495	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H+NH4"	19.041099
"394298"	238.984818	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+Na"	22.989218
"758213"	346.982618	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+Na"	22.989218
"1606312"	130.987018	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Na"	22.989218
"317447"	119.996047	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+H+Na"	23.996494
"708775"	173.994947	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+H+Na"	23.996494
"1463691"	65.997147	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H+Na"	23.996494
"1055115"	44.3338566666667	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2H+Na"	25.00377
"1257756"	141.031286	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+CH3OH+H"	33.033486
"378283"	254.958758	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+K"	38.963158
"741829"	362.956558	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+K"	38.963158
"1541332"	146.960958	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+K"	38.963158
"305433"	127.983017	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+H+K"	39.970434
"699677"	181.981917	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+H+K"	39.970434
"1450217"	73.984117	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H+K"	39.970434
"244287"	258.029426	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+ACN+H"	42.033826
"1213715"	150.031626	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+ACN+H"	42.033826
"1199783"	75.519451	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+ACN+2H"	43.041102
"193749"	260.96676	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+2Na-H"	44.97116
"631487"	368.96456	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+2Na-H"	44.97116
"1133900"	152.96896	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2Na-H"	44.97116
"185222"	130.987018	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+2Na"	45.978436
"624413"	184.985918	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+2Na"	45.978436
"1125366"	76.988118	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2Na"	45.978436
"1404515"	51.6611706666667	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H+2Na"	46.985712
"1439914"	155.010546	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H+HCOOH"	47.012746
"230701"	136.02004	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+3H2O+2H"	56.04448
"1514394"	169.06259	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+IsoProp+H"	61.06479
"417726"	138.973988	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+Na+K"	61.952376
"777264"	192.972888	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+Na+K"	61.952376
"1677241"	84.975088	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Na+K"	61.952376
"265584"	280.011368	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+ACN+Na"	64.015768
"1238656"	172.013568	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+ACN+Na"	64.015768
"1727667"	172.037093	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+NH4+HCOOH"	64.039293
"1190708"	58.9884846666667	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+3Na"	68.967654
"1664248"	176.992488	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Na+HCOOH"	68.994688
"168194"	292.91464	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+2K-H"	76.91904
"608120"	400.91244	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+2K-H"	76.91904
"1095548"	184.91684	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2K-H"	76.91904
"155282"	146.960958	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"2M+2K"	77.926316
"596751"	200.959858	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"3M+2K"	77.926316
"1083611"	92.962058	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2K"	77.926316
"1112564"	186.931392	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2K+H"	78.933592
"1341656"	187.019007	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+DMSO+H"	79.021207
"1014197"	191.058176	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2ACN+H"	83.060376
"1535968"	192.051808	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+IsoProp+Na+H"	84.054008
"996948"	96.032726	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+2ACN+2H"	84.067652
"1595823"	192.966428	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+K+HCOOH"	84.968628
"1425855"	222.997938	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+H+CF3COOH"	115.000138
"1156148"	116.546001	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+3ACN+2H"	125.094202
"1700234"	240.024485	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+NH4+CF3COOH"	132.026685
"1635884"	244.97988	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+Na+CF3COOH"	136.98208
"1585753"	260.95382	"C20608"	"(S)-2-Chloropropanoate;(S)-2-Chloropropanoic acid"	"C3H5ClO2"	"107.9978"	"M+K+CF3COOH"	152.95602
"817047"	105.9822	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M"	0
"983090"	86.96381	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H2O-H"	-19.01839
"72426"	69.647524	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-3H"	-3.021828
"516360"	104.974924	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-3H"	-3.021828
"894167"	34.320124	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-3H"	-3.021828
"15293"	104.974924	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H"	-2.014552
"453758"	157.966024	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H"	-2.014552
"824633"	51.983824	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H"	-2.014552
"90097"	210.957124	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-H"	-1.007276
"532699"	316.939324	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-H"	-1.007276
"910994"	104.974924	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H"	-1.007276
"62451"	227.983671	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+NH4"	16.019271
"497023"	333.965871	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+NH4"	16.019271
"878106"	122.001471	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+NH4"	16.019271
"41635"	232.939066	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+Na"	20.974666
"482289"	338.921266	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+Na"	20.974666
"854623"	126.956866	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+Na"	20.974666
"1621236"	126.956866	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na-2H"	20.974666
"95823"	122.963263	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-H+Cl"	33.962126
"538783"	175.954363	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-H+Cl"	33.962126
"928657"	69.972163	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+Cl"	33.962126
"270134"	246.933802	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Cl"	34.969402
"663644"	352.916002	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Cl"	34.969402
"1278243"	140.951602	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl"	34.969402
"22986"	248.913006	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M-2H+K"	36.948606
"458171"	354.895206	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M-2H+K"	36.948606
"837068"	142.930806	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-2H+K"	36.948606
"1563837"	142.930806	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K-2H"	36.948606
"956093"	150.980394	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+HCOOH"	44.998194
"376133"	256.962601	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+HCOOH-H"	44.998201
"351631"	270.978251	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Hac-H"	59.013851
"1497551"	164.996051	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Hac-H"	59.013851
"965820"	172.962351	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+NaCOOH"	66.980151
"113998"	140.951602	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Cl"	69.938804
"553558"	193.942702	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Cl"	69.938804
"1027461"	87.960502	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Cl"	69.938804
"1243399"	184.901085	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Br"	78.918885
"1308399"	186.957072	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+HCOOH"	80.974872
"1331364"	208.939029	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+NaCOOH"	102.956829
"923514"	218.967786	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M-H+CF3COOH"	112.985586
"1296939"	254.944464	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Cl+CF3COOH"	148.962264
"1372916"	70.969524	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H-2H2O"	-35.012676
"1390415"	88.9795	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H-H2O"	-17.0027
"291194"	212.971676	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H"	1.007276
"679239"	318.953876	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H"	1.007276
"1357775"	106.989476	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H"	1.007276
"129574"	106.989476	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2H"	2.014552
"571320"	159.980576	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2H"	2.014552
"1043400"	53.998376	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2H"	2.014552
"212395"	71.662076	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+3H"	3.021828
"655244"	106.989476	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+3H"	3.021828
"1172276"	36.334676	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3H"	3.021828
"426799"	229.998223	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+NH4"	18.033823
"789254"	335.980423	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+NH4"	18.033823
"1684125"	124.016023	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4"	18.033823
"333862"	115.5027495	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+NH4"	19.041099
"730291"	168.4938495	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+NH4"	19.041099
"1481926"	62.5116495	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+NH4"	19.041099
"394042"	234.953618	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Na"	22.989218
"757228"	340.935818	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Na"	22.989218
"1608610"	128.971418	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na"	22.989218
"319744"	117.980447	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+Na"	23.996494
"709977"	170.971547	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+Na"	23.996494
"1465987"	64.989347	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+Na"	23.996494
"1055346"	43.66199	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2H+Na"	25.00377
"1260546"	139.015686	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+CH3OH+H"	33.033486
"381673"	250.927558	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+K"	38.963158
"741939"	356.909758	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+K"	38.963158
"1543993"	144.945358	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K"	38.963158
"308458"	125.967417	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+H+K"	39.970434
"697599"	178.958517	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+H+K"	39.970434
"1458711"	72.976317	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+K"	39.970434
"247676"	253.998226	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+ACN+H"	42.033826
"1214916"	148.016026	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+H"	42.033826
"1200987"	74.511651	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+2H"	43.041102
"192765"	256.93556	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Na-H"	44.97116
"637793"	362.91776	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Na-H"	44.97116
"1138017"	150.95336	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Na-H"	44.97116
"184600"	128.971418	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2Na"	45.978436
"625251"	181.962518	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2Na"	45.978436
"1125475"	75.980318	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2Na"	45.978436
"1406811"	50.989304	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+2Na"	46.985712
"1440752"	152.994946	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+HCOOH"	47.012746
"230811"	134.00444	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+3H2O+2H"	56.04448
"1517786"	167.04699	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+IsoProp+H"	61.06479
"417471"	136.958388	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+Na+K"	61.952376
"778467"	189.949488	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+Na+K"	61.952376
"1676259"	83.967288	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+K"	61.952376
"263872"	275.980168	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+ACN+Na"	64.015768
"1238037"	169.997968	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+ACN+Na"	64.015768
"1725465"	170.021493	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4+HCOOH"	64.039293
"1191912"	58.316618	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3Na"	68.967654
"1663265"	174.976888	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+HCOOH"	68.994688
"169764"	288.88344	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2K-H"	76.91904
"608595"	394.86564	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2K-H"	76.91904
"1095658"	182.90124	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K-H"	76.91904
"155516"	144.945358	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"2M+2K"	77.926316
"595928"	197.936458	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"3M+2K"	77.926316
"1082992"	91.954258	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K"	77.926316
"1111946"	184.915792	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2K+H"	78.933592
"1336663"	185.003407	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+DMSO+H"	79.021207
"1010295"	189.042576	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2ACN+H"	83.060376
"1531701"	190.036208	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+IsoProp+Na+H"	84.054008
"995965"	95.024926	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+2ACN+2H"	84.067652
"1595935"	190.950828	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K+HCOOH"	84.968628
"1424873"	220.982338	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+H+CF3COOH"	115.000138
"1151883"	115.538201	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+3ACN+2H"	125.094202
"1699251"	238.008885	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+NH4+CF3COOH"	132.026685
"1634615"	242.96428	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+Na+CF3COOH"	136.98208
"1585863"	258.93822	"C20609"	"2-Chloroacrylate;2-Chloroacrylic acid"	"C3H3ClO2"	"105.9822"	"M+K+CF3COOH"	152.95602
"809668"	571.0717	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M"	0
"983200"	552.05331	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-H2O-H"	-19.01839
"72536"	379.707190666667	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M-3H"	-3.021828
"516470"	570.064424	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M-3H"	-3.021828
"890998"	189.349957333333	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-3H"	-3.021828
"15626"	570.064424	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M-2H"	-2.014552
"454597"	855.600274	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M-2H"	-2.014552
"826930"	284.528574	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-2H"	-2.014552
"86926"	1141.136124	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M-H"	-1.007276
"523209"	1712.207824	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M-H"	-1.007276
"901010"	570.064424	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-H"	-1.007276
"47726"	1158.162671	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M-2H+NH4"	16.019271
"491665"	1729.234371	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M-2H+NH4"	16.019271
"874935"	587.090971	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-2H+NH4"	16.019271
"41745"	1163.118066	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M-2H+Na"	20.974666
"481306"	1734.189766	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M-2H+Na"	20.974666
"854733"	592.046366	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-2H+Na"	20.974666
"1620374"	592.046366	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Na-2H"	20.974666
"96054"	588.052763	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M-H+Cl"	33.962126
"539986"	873.588613	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M-H+Cl"	33.962126
"930224"	302.516913	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-H+Cl"	33.962126
"270244"	1177.112802	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+Cl"	34.969402
"663390"	1748.184502	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+Cl"	34.969402
"1278353"	606.041102	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Cl"	34.969402
"23096"	1179.092006	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M-2H+K"	36.948606
"458281"	1750.163706	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M-2H+K"	36.948606
"834990"	608.020306	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-2H+K"	36.948606
"1560667"	608.020306	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+K-2H"	36.948606
"951829"	616.069894	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-H+HCOOH"	44.998194
"371139"	1187.141601	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+HCOOH-H"	44.998201
"356114"	1201.157251	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+Hac-H"	59.013851
"1499484"	630.085551	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Hac-H"	59.013851
"965930"	638.051851	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-H+NaCOOH"	66.980151
"114108"	606.041102	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+2Cl"	69.938804
"553668"	891.576952	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+2Cl"	69.938804
"1026478"	320.505252	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2Cl"	69.938804
"1246061"	649.990585	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Br"	78.918885
"1309602"	652.046572	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Cl+HCOOH"	80.974872
"1330381"	674.028529	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Cl+NaCOOH"	102.956829
"922531"	684.057286	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M-H+CF3COOH"	112.985586
"1298142"	720.033964	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Cl+CF3COOH"	148.962264
"1373026"	536.059024	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H-2H2O"	-35.012676
"1387245"	554.069	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H-H2O"	-17.0027
"291304"	1143.150676	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+H"	1.007276
"679349"	1714.222376	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+H"	1.007276
"1353509"	572.078976	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H"	1.007276
"129682"	572.078976	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+2H"	2.014552
"570333"	857.614826	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+2H"	2.014552
"1042412"	286.543126	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2H"	2.014552
"212503"	381.721742666667	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+3H"	3.021828
"652071"	572.078976	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+3H"	3.021828
"1167642"	191.364509333333	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+3H"	3.021828
"425813"	1160.177223	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+NH4"	18.033823
"787906"	1731.248923	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+NH4"	18.033823
"1683139"	589.105523	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+NH4"	18.033823
"332150"	580.5922495	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+H+NH4"	19.041099
"726391"	866.1280995	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+H+NH4"	19.041099
"1479484"	295.0563995	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H+NH4"	19.041099
"396342"	1165.132618	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+Na"	22.989218
"754786"	1736.204318	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+Na"	22.989218
"1607626"	594.060918	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Na"	22.989218
"316209"	583.069947	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+H+Na"	23.996494
"708871"	868.605797	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+H+Na"	23.996494
"1464032"	297.534097	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H+Na"	23.996494
"1055092"	198.691823333333	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2H+Na"	25.00377
"1258105"	604.105186	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+CH3OH+H"	33.033486
"380325"	1181.106558	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+K"	38.963158
"740591"	1752.178258	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+K"	38.963158
"1541915"	610.034858	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+K"	38.963158
"305288"	591.056917	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+H+K"	39.970434
"697709"	876.592767	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+H+K"	39.970434
"1458091"	305.521067	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H+K"	39.970434
"250582"	1184.177226	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+ACN+H"	42.033826
"1213933"	613.105526	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+ACN+H"	42.033826
"1200005"	307.056401	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+ACN+2H"	43.041102
"192875"	1187.11456	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+2Na-H"	44.97116
"635715"	1758.18626	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+2Na-H"	44.97116
"1138128"	616.04286	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2Na-H"	44.97116
"181429"	594.060918	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+2Na"	45.978436
"625361"	879.596768	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+2Na"	45.978436
"1122306"	308.525068	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2Na"	45.978436
"1404735"	206.019137333333	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H+2Na"	46.985712
"1441226"	618.084446	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H+HCOOH"	47.012746
"228734"	599.09394	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+3H2O+2H"	56.04448
"1517894"	632.13649	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+IsoProp+H"	61.06479
"417581"	602.047888	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+Na+K"	61.952376
"779671"	887.583738	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+Na+K"	61.952376
"1676731"	316.512038	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Na+K"	61.952376
"264344"	1206.159168	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+ACN+Na"	64.015768
"1237052"	635.087468	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+ACN+Na"	64.015768
"1727034"	635.110993	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+NH4+HCOOH"	64.039293
"1191291"	213.346451333333	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+3Na"	68.967654
"1664102"	640.066388	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Na+HCOOH"	68.994688
"170602"	1219.06244	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+2K-H"	76.91904
"610528"	1790.13414	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+2K-H"	76.91904
"1096132"	647.99074	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2K-H"	76.91904
"156231"	610.034858	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"2M+2K"	77.926316
"595794"	895.570708	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"3M+2K"	77.926316
"1083101"	324.499008	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2K"	77.926316
"1113879"	650.005292	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2K+H"	78.933592
"1336772"	650.092907	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+DMSO+H"	79.021207
"1007245"	654.132076	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2ACN+H"	83.060376
"1531813"	655.125708	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+IsoProp+Na+H"	84.054008
"996075"	327.569676	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+2ACN+2H"	84.067652
"1598231"	656.040328	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+K+HCOOH"	84.968628
"1423890"	686.071838	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+H+CF3COOH"	115.000138
"1149804"	348.082951	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+3ACN+2H"	125.094202
"1698268"	703.098385	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+NH4+CF3COOH"	132.026685
"1634264"	708.05378	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+Na+CF3COOH"	136.98208
"1585973"	724.02772	"C20612"	"GDP-4-dehydro-36-dideoxy-alpha-D-mannose"	"C16H23N5O14P2"	"571.0717"	"M+K+CF3COOH"	152.95602
"809778"	573.0873	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M"	0
"983310"	554.06891	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-H2O-H"	-19.01839
"72646"	381.050924	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M-3H"	-3.021828
"516580"	572.080024	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M-3H"	-3.021828
"891108"	190.021824	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-3H"	-3.021828
"15399"	572.080024	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M-2H"	-2.014552
"455402"	858.623674	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M-2H"	-2.014552
"827040"	285.536374	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-2H"	-2.014552
"84848"	1145.167324	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M-H"	-1.007276
"521131"	1718.254624	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M-H"	-1.007276
"896498"	572.080024	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-H"	-1.007276
"47958"	1162.193871	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M-2H+NH4"	16.019271
"489950"	1735.281171	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M-2H+NH4"	16.019271
"867389"	589.106571	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-2H+NH4"	16.019271
"42948"	1167.149266	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M-2H+Na"	20.974666
"480320"	1740.236566	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M-2H+Na"	20.974666
"854843"	594.061966	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-2H+Na"	20.974666
"1620364"	594.061966	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Na-2H"	20.974666
"95796"	590.068363	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M-H+Cl"	33.962126
"535117"	876.612013	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M-H+Cl"	33.962126
"928876"	303.524713	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-H+Cl"	33.962126
"270354"	1181.144002	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+Cl"	34.969402
"664960"	1754.231302	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+Cl"	34.969402
"1278463"	608.056702	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Cl"	34.969402
"18833"	1183.123206	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M-2H+K"	36.948606
"458391"	1756.210506	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M-2H+K"	36.948606
"837288"	610.035906	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-2H+K"	36.948606
"1560777"	610.035906	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+K-2H"	36.948606
"951939"	618.085494	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-H+HCOOH"	44.998194
"371249"	1191.172801	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+HCOOH-H"	44.998201
"349664"	1205.188451	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+Hac-H"	59.013851
"1497408"	632.101151	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Hac-H"	59.013851
"962760"	640.067451	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-H+NaCOOH"	66.980151
"114218"	608.056702	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+2Cl"	69.938804
"552319"	894.600352	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+2Cl"	69.938804
"1025494"	321.513052	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2Cl"	69.938804
"1243984"	652.006185	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Br"	78.918885
"1308619"	654.062172	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Cl+HCOOH"	80.974872
"1329397"	676.044129	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Cl+NaCOOH"	102.956829
"922641"	686.072886	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M-H+CF3COOH"	112.985586
"1296068"	722.049564	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Cl+CF3COOH"	148.962264
"1374229"	538.074624	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H-2H2O"	-35.012676
"1387355"	556.0846	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H-H2O"	-17.0027
"287038"	1147.181876	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+H"	1.007276
"677637"	1720.269176	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+H"	1.007276
"1354713"	574.094576	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H"	1.007276
"130885"	574.094576	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+2H"	2.014552
"570805"	860.638226	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+2H"	2.014552
"1042522"	287.550926	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2H"	2.014552
"211519"	383.065476	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+3H"	3.021828
"653274"	574.094576	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+3H"	3.021828
"1168117"	192.036376	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+3H"	3.021828
"426652"	1164.208423	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+NH4"	18.033823
"786921"	1737.295723	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+NH4"	18.033823
"1682156"	591.121123	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+NH4"	18.033823
"331530"	582.6078495	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+H+NH4"	19.041099
"727230"	869.1514995	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+H+NH4"	19.041099
"1479959"	296.0641995	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H+NH4"	19.041099
"398638"	1169.163818	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+Na"	22.989218
"754310"	1742.251118	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+Na"	22.989218
"1608830"	596.076518	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Na"	22.989218
"318140"	585.085547	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+H+Na"	23.996494
"707645"	871.629197	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+H+Na"	23.996494
"1467302"	298.541897	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H+Na"	23.996494
"1055081"	199.36369	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2H+Na"	25.00377
"1258214"	606.120786	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+CH3OH+H"	33.033486
"379341"	1185.137758	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+K"	38.963158
"741065"	1758.225058	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+K"	38.963158
"1540688"	612.050458	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+K"	38.963158
"307587"	593.072517	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+H+K"	39.970434
"698913"	879.616167	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+H+K"	39.970434
"1456014"	306.528867	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H+K"	39.970434
"247896"	1188.208426	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+ACN+H"	42.033826
"1221698"	615.121126	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+ACN+H"	42.033826
"1202302"	308.064201	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+ACN+2H"	43.041102
"192985"	1191.14576	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+2Na-H"	44.97116
"634732"	1764.23306	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+2Na-H"	44.97116
"1138238"	618.05846	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2Na-H"	44.97116
"180446"	596.076518	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+2Na"	45.978436
"625472"	882.620168	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+2Na"	45.978436
"1123509"	309.532868	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2Na"	45.978436
"1404845"	206.691004	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H+2Na"	46.985712
"1439149"	620.100046	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H+HCOOH"	47.012746
"229937"	601.10954	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+3H2O+2H"	56.04448
"1520919"	634.15209	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+IsoProp+H"	61.06479
"415506"	604.063488	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+Na+K"	61.952376
"774314"	890.607138	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+Na+K"	61.952376
"1672831"	317.519838	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Na+K"	61.952376
"264454"	1210.190368	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+ACN+Na"	64.015768
"1236798"	637.103068	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+ACN+Na"	64.015768
"1727511"	637.126593	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+NH4+HCOOH"	64.039293
"1191038"	214.018318	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+3Na"	68.967654
"1662024"	642.081988	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Na+HCOOH"	68.994688
"169254"	1223.09364	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+2K-H"	76.91904
"609907"	1796.18094	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+2K-H"	76.91904
"1093690"	650.00634	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2K-H"	76.91904
"154519"	612.050458	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"2M+2K"	77.926316
"594078"	898.594108	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"3M+2K"	77.926316
"1083209"	325.506808	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2K"	77.926316
"1112895"	652.020892	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2K+H"	78.933592
"1336761"	652.108507	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+DMSO+H"	79.021207
"1007235"	656.147676	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2ACN+H"	83.060376
"1534111"	657.141308	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+IsoProp+Na+H"	84.054008
"996185"	328.577476	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+2ACN+2H"	84.067652
"1597249"	658.055928	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+K+HCOOH"	84.968628
"1425094"	688.087438	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+H+CF3COOH"	115.000138
"1149914"	349.090751	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+3ACN+2H"	125.094202
"1698378"	705.113985	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+NH4+CF3COOH"	132.026685
"1634512"	710.06938	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+Na+CF3COOH"	136.98208
"1586083"	726.04332	"C20613"	"GDP-beta-L-colitose"	"C16H25N5O14P2"	"573.0873"	"M+K+CF3COOH"	152.95602
"809888"	485.2221	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M"	0
"983420"	466.20371	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-H2O-H"	-19.01839
"72756"	322.474124	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M-3H"	-3.021828
"516692"	484.214824	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M-3H"	-3.021828
"887938"	160.733424	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-3H"	-3.021828
"13072"	484.214824	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M-2H"	-2.014552
"454455"	726.825874	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M-2H"	-2.014552
"827150"	241.603774	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-2H"	-2.014552
"83865"	969.436924	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M-H"	-1.007276
"520875"	1454.659024	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M-H"	-1.007276
"898676"	484.214824	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-H"	-1.007276
"49041"	986.463471	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M-2H+NH4"	16.019271
"492613"	1471.685571	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M-2H+NH4"	16.019271
"867135"	501.241371	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-2H+NH4"	16.019271
"41965"	991.418866	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M-2H+Na"	20.974666
"480430"	1476.640966	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M-2H+Na"	20.974666
"860057"	506.196766	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-2H+Na"	20.974666
"1622297"	506.196766	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Na-2H"	20.974666
"103200"	502.203163	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M-H+Cl"	33.962126
"542761"	744.814213	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M-H+Cl"	33.962126
"928982"	259.592113	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-H+Cl"	33.962126
"269371"	1005.413602	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+Cl"	34.969402
"661789"	1490.635702	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+Cl"	34.969402
"1278573"	520.191502	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Cl"	34.969402
"21130"	1007.392806	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M-2H+K"	36.948606
"458503"	1492.614906	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M-2H+K"	36.948606
"837398"	522.170706	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-2H+K"	36.948606
"1557970"	522.170706	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+K-2H"	36.948606
"952050"	530.220294	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-H+HCOOH"	44.998194
"368079"	1015.442401	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+HCOOH-H"	44.998201
"350138"	1029.458051	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+Hac-H"	59.013851
"1499704"	544.235951	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Hac-H"	59.013851
"962505"	552.202251	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-H+NaCOOH"	66.980151
"115059"	520.191502	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+2Cl"	69.938804
"552066"	762.802552	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+2Cl"	69.938804
"1028886"	277.580452	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2Cl"	69.938804
"1248468"	564.140985	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Br"	78.918885
"1312009"	566.196972	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Cl+HCOOH"	80.974872
"1328413"	588.178929	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Cl+NaCOOH"	102.956829
"920566"	598.207686	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M-H+CF3COOH"	112.985586
"1292899"	634.184364	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Cl+CF3COOH"	148.962264
"1372152"	450.209424	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H-2H2O"	-35.012676
"1387465"	468.2194	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H-H2O"	-17.0027
"288244"	971.451476	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+H"	1.007276
"679572"	1456.673576	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+H"	1.007276
"1357011"	486.229376	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H"	1.007276
"131359"	486.229376	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+2H"	2.014552
"572739"	728.840426	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+2H"	2.014552
"1043726"	243.618326	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2H"	2.014552
"211993"	324.488676	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+3H"	3.021828
"651194"	486.229376	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+3H"	3.021828
"1170414"	162.747976	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+3H"	3.021828
"427126"	988.478023	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+NH4"	18.033823
"788486"	1473.700123	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+NH4"	18.033823
"1683723"	503.255923	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+NH4"	18.033823
"332368"	494.7426495	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+H+NH4"	19.041099
"726610"	737.3536995	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+H+NH4"	19.041099
"1480068"	252.1315995	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H+NH4"	19.041099
"395466"	993.433418	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+Na"	22.989218
"756456"	1478.655518	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+Na"	22.989218
"1607847"	508.211318	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Na"	22.989218
"314520"	497.220347	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+H+Na"	23.996494
"707258"	739.831397	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+H+Na"	23.996494
"1467412"	254.609297	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H+Na"	23.996494
"1054219"	170.07529	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2H+Na"	25.00377
"1257961"	518.255586	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+CH3OH+H"	33.033486
"379819"	1009.407358	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+K"	38.963158
"738690"	1494.629458	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+K"	38.963158
"1540677"	524.185258	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+K"	38.963158
"302592"	505.207317	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+H+K"	39.970434
"694649"	747.818367	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+H+K"	39.970434
"1452844"	262.596267	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H+K"	39.970434
"241445"	1012.478026	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+ACN+H"	42.033826
"1219621"	527.255926	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+ACN+H"	42.033826
"1199131"	264.131601	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+ACN+2H"	43.041102
"195282"	1015.41536	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+2Na-H"	44.97116
"634843"	1500.63746	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+2Na-H"	44.97116
"1138348"	530.19326	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2Na-H"	44.97116
"179462"	508.211318	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+2Na"	45.978436
"617198"	750.822368	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+2Na"	45.978436
"1126901"	265.600268	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2Na"	45.978436
"1410425"	177.402604	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H+2Na"	46.985712
"1443271"	532.234846	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H+HCOOH"	47.012746
"233696"	513.24434	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+3H2O+2H"	56.04448
"1521759"	546.28689	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+IsoProp+H"	61.06479
"415616"	516.198288	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+Na+K"	61.952376
"774424"	758.809338	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+Na+K"	61.952376
"1675127"	273.587238	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Na+K"	61.952376
"262379"	1034.459968	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+ACN+Na"	64.015768
"1236543"	549.237868	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+ACN+Na"	64.015768
"1725429"	549.261393	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+NH4+HCOOH"	64.039293
"1191635"	184.729918	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+3Na"	68.967654
"1662744"	554.216788	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Na+HCOOH"	68.994688
"169728"	1047.36324	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+2K-H"	76.91904
"610017"	1532.58534	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+2K-H"	76.91904
"1098541"	562.14114	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2K-H"	76.91904
"155844"	524.185258	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"2M+2K"	77.926316
"595526"	766.796308	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"3M+2K"	77.926316
"1082346"	281.574208	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2K"	77.926316
"1114342"	564.155692	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2K+H"	78.933592
"1337722"	564.243307	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+DMSO+H"	79.021207
"1012816"	568.282476	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2ACN+H"	83.060376
"1530941"	569.276108	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+IsoProp+Na+H"	84.054008
"1000665"	284.644876	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+2ACN+2H"	84.067652
"1596264"	570.190728	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+K+HCOOH"	84.968628
"1421922"	600.222238	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+H+CF3COOH"	115.000138
"1148931"	305.158151	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+3ACN+2H"	125.094202
"1707235"	617.248785	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+NH4+CF3COOH"	132.026685
"1634502"	622.20418	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+Na+CF3COOH"	136.98208
"1586193"	638.17812	"C20614"	"Kanamycin X"	"C18H35N3O12"	"485.2221"	"M+K+CF3COOH"	152.95602
"814373"	1291.764	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M"	0
"987907"	1272.74561	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H2O-H"	-19.01839
"71774"	860.168724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-3H"	-3.021828
"513526"	1290.756724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-3H"	-3.021828
"888047"	429.580724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-3H"	-3.021828
"10996"	1290.756724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H"	-2.014552
"452740"	1936.638724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H"	-2.014552
"822888"	644.874724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H"	-2.014552
"91634"	2582.520724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H"	-1.007276
"522080"	3874.284724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-H"	-1.007276
"900247"	1290.756724	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H"	-1.007276
"52799"	2599.547271	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+NH4"	16.019271
"497464"	3891.311271	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+NH4"	16.019271
"875998"	1307.783271	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+NH4"	16.019271
"42074"	2604.502666	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+Na"	20.974666
"477261"	3896.266666	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+Na"	20.974666
"849594"	1312.738666	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+Na"	20.974666
"1619169"	1312.738666	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na-2H"	20.974666
"94927"	1308.745063	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H+Cl"	33.962126
"535944"	1954.627063	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-H+Cl"	33.962126
"933114"	662.863063	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+Cl"	33.962126
"272763"	2618.497402	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Cl"	34.969402
"671750"	3910.261402	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Cl"	34.969402
"1281964"	1326.733402	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl"	34.969402
"19053"	2620.476606	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+K"	36.948606
"461895"	3912.240606	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+K"	36.948606
"841885"	1328.712606	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+K"	36.948606
"1563185"	1328.712606	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K-2H"	36.948606
"949973"	1336.762194	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+HCOOH"	44.998194
"367095"	2628.526201	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+HCOOH-H"	44.998201
"350255"	2642.541851	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Hac-H"	59.013851
"1493618"	1350.777851	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Hac-H"	59.013851
"960428"	1358.744151	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+NaCOOH"	66.980151
"111888"	1326.733402	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Cl"	69.938804
"554729"	1972.615402	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Cl"	69.938804
"1023167"	680.851402	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Cl"	69.938804
"1244205"	1370.682885	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Br"	78.918885
"1305559"	1372.738872	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+HCOOH"	80.974872
"1324151"	1394.720829	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+NaCOOH"	102.956829
"917395"	1404.749586	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+CF3COOH"	112.985586
"1290458"	1440.726264	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+CF3COOH"	148.962264
"1368620"	1256.751324	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H-2H2O"	-35.012676
"1385389"	1274.7613	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H-H2O"	-17.0027
"283978"	2584.535276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H"	1.007276
"677495"	3876.299276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H"	1.007276
"1353845"	1292.771276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H"	1.007276
"128919"	1292.771276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2H"	2.014552
"568843"	1938.653276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2H"	2.014552
"1041654"	646.889276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2H"	2.014552
"215029"	862.183276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H"	3.021828
"654590"	1292.771276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+3H"	3.021828
"1165058"	431.595276	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3H"	3.021828
"427236"	2601.561823	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+NH4"	18.033823
"787871"	3893.325823	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+NH4"	18.033823
"1683834"	1309.797823	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4"	18.033823
"332842"	1301.2845495	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+NH4"	19.041099
"725992"	1947.1665495	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+NH4"	19.041099
"1480179"	655.4025495	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+NH4"	19.041099
"393393"	2606.517218	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Na"	22.989218
"759861"	3898.281218	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na"	22.989218
"1603827"	1314.753218	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na"	22.989218
"314427"	1303.762247	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+Na"	23.996494
"707331"	1949.644247	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+Na"	23.996494
"1465336"	657.880247	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+Na"	23.996494
"1053019"	438.92259	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2H+Na"	25.00377
"1262449"	1324.797486	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+CH3OH+H"	33.033486
"378225"	2622.491158	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+K"	38.963158
"738608"	3914.255158	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+K"	38.963158
"1542974"	1330.727158	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K"	38.963158
"305618"	1311.749217	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+K"	39.970434
"699132"	1957.631217	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+K"	39.970434
"1452951"	665.867217	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+K"	39.970434
"248115"	2625.561826	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+H"	42.033826
"1219731"	1333.797826	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+H"	42.033826
"1198147"	667.402551	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+2H"	43.041102
"193206"	2628.49916	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na-H"	44.97116
"632401"	3920.26316	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na-H"	44.97116
"1143936"	1336.73516	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Na-H"	44.97116
"181759"	1314.753218	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na"	45.978436
"622413"	1960.635218	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na"	45.978436
"1127012"	668.871218	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Na"	45.978436
"1411633"	446.249904	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+2Na"	46.985712
"1443380"	1338.776746	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+HCOOH"	47.012746
"233439"	1319.78624	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H2O+2H"	56.04448
"1513853"	1352.82879	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+IsoProp+H"	61.06479
"416820"	1322.740188	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Na+K"	61.952376
"778909"	1968.622188	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na+K"	61.952376
"1675239"	676.858188	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+K"	61.952376
"261394"	2647.543768	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+Na"	64.015768
"1234103"	1355.779768	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+Na"	64.015768
"1722624"	1355.803293	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+HCOOH"	64.039293
"1190530"	453.577218	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3Na"	68.967654
"1661884"	1360.758688	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+HCOOH"	68.994688
"166559"	2660.44704	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K-H"	76.91904
"609399"	3952.21104	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K-H"	76.91904
"1090632"	1368.68304	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K-H"	76.91904
"154011"	1330.727158	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K"	77.926316
"596693"	1976.609158	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K"	77.926316
"1075895"	684.845158	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K"	77.926316
"1101571"	1370.697592	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K+H"	78.933592
"1337832"	1370.785207	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+DMSO+H"	79.021207
"1011832"	1374.824376	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+H"	83.060376
"1524602"	1375.818008	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+IsoProp+Na+H"	84.054008
"996403"	687.915826	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+2H"	84.067652
"1593093"	1376.732628	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K+HCOOH"	84.968628
"1417660"	1406.764138	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+CF3COOH"	115.000138
"1156702"	708.429101	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3ACN+2H"	125.094202
"1706255"	1423.790685	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+CF3COOH"	132.026685
"1645186"	1428.74608	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+CF3COOH"	136.98208
"1586304"	1444.72002	"C20617"	"beta-D-Gal-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K+CF3COOH"	152.95602
"815576"	1291.764	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M"	0
"989477"	1272.74561	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H2O-H"	-19.01839
"78209"	860.168724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-3H"	-3.021828
"515824"	1290.756724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-3H"	-3.021828
"890345"	429.580724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-3H"	-3.021828
"15239"	1290.756724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H"	-2.014552
"453823"	1936.638724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H"	-2.014552
"825188"	644.874724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H"	-2.014552
"82996"	2582.520724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H"	-1.007276
"522554"	3874.284724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-H"	-1.007276
"902544"	1290.756724	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H"	-1.007276
"51449"	2599.547271	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+NH4"	16.019271
"498670"	3891.311271	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+NH4"	16.019271
"875015"	1307.783271	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+NH4"	16.019271
"37445"	2604.502666	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+Na"	20.974666
"477735"	3896.266666	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+Na"	20.974666
"849945"	1312.738666	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+Na"	20.974666
"1621423"	1312.738666	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na-2H"	20.974666
"96858"	1308.745063	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H+Cl"	33.962126
"537512"	1954.627063	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-H+Cl"	33.962126
"932129"	662.863063	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+Cl"	33.962126
"273966"	2618.497402	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Cl"	34.969402
"663107"	3910.261402	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Cl"	34.969402
"1282072"	1326.733402	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl"	34.969402
"17336"	2620.476606	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+K"	36.948606
"463098"	3912.240606	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+K"	36.948606
"841995"	1328.712606	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+K"	36.948606
"1562202"	1328.712606	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K-2H"	36.948606
"947897"	1336.762194	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+HCOOH"	44.998194
"370485"	2628.526201	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+HCOOH-H"	44.998201
"351093"	2642.541851	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Hac-H"	59.013851
"1498830"	1350.777851	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Hac-H"	59.013851
"960903"	1358.744151	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+NaCOOH"	66.980151
"117464"	1326.733402	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Cl"	69.938804
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"1242856"	1370.682885	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Br"	78.918885
"1307856"	1372.738872	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+HCOOH"	80.974872
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"917505"	1404.749586	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+CF3COOH"	112.985586
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"215138"	862.183276	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H"	3.021828
"652511"	1292.771276	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+3H"	3.021828
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"334049"	1301.2845495	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+NH4"	19.041099
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"758877"	3898.281218	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na"	22.989218
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"315190"	1303.762247	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+Na"	23.996494
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"1461915"	657.880247	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+Na"	23.996494
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"379671"	2622.491158	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+K"	38.963158
"739208"	3914.255158	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+K"	38.963158
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"299532"	1311.749217	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+K"	39.970434
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"1449052"	665.867217	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+K"	39.970434
"242757"	2625.561826	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+H"	42.033826
"1218747"	1333.797826	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+H"	42.033826
"1200444"	667.402551	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+2H"	43.041102
"194409"	2628.49916	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na-H"	44.97116
"632878"	3920.26316	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na-H"	44.97116
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"181869"	1314.753218	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na"	45.978436
"622523"	1960.635218	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na"	45.978436
"1126758"	668.871218	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Na"	45.978436
"1412227"	446.249904	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+2Na"	46.985712
"1442761"	1338.776746	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+HCOOH"	47.012746
"232456"	1319.78624	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H2O+2H"	56.04448
"1512870"	1352.82879	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+IsoProp+H"	61.06479
"416931"	1322.740188	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Na+K"	61.952376
"779019"	1968.622188	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na+K"	61.952376
"1675349"	676.858188	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+K"	61.952376
"261869"	2647.543768	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+Na"	64.015768
"1238951"	1355.779768	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+Na"	64.015768
"1725285"	1355.803293	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+HCOOH"	64.039293
"1191005"	453.577218	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3Na"	68.967654
"1661994"	1360.758688	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+HCOOH"	68.994688
"167762"	2660.44704	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K-H"	76.91904
"608416"	3952.21104	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K-H"	76.91904
"1098396"	1368.68304	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K-H"	76.91904
"156880"	1330.727158	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K"	77.926316
"595745"	1976.609158	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K"	77.926316
"1076006"	684.845158	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K"	77.926316
"1102653"	1370.697592	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K+H"	78.933592
"1339036"	1370.785207	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+DMSO+H"	79.021207
"1015221"	1374.824376	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+H"	83.060376
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"997607"	687.915826	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+2H"	84.067652
"1593204"	1376.732628	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K+HCOOH"	84.968628
"1418863"	1406.764138	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+CF3COOH"	115.000138
"1156812"	708.429101	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3ACN+2H"	125.094202
"1707458"	1423.790685	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+CF3COOH"	132.026685
"1642016"	1428.74608	"C20618"	"beta-D-Gal-(1-4)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+CF3COOH"	136.98208
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"814598"	1291.764	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M"	0
"985943"	1272.74561	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H2O-H"	-19.01839
"66531"	860.168724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-3H"	-3.021828
"507186"	1290.756724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-3H"	-3.021828
"883165"	429.580724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-3H"	-3.021828
"1737"	1290.756724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H"	-2.014552
"445303"	1936.638724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H"	-2.014552
"824197"	644.874724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H"	-2.014552
"92712"	2582.520724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H"	-1.007276
"531421"	3874.284724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-H"	-1.007276
"907036"	1290.756724	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H"	-1.007276
"58129"	2599.547271	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+NH4"	16.019271
"491128"	3891.311271	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+NH4"	16.019271
"867471"	1307.783271	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+NH4"	16.019271
"34275"	2604.502666	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+Na"	20.974666
"473835"	3896.266666	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+Na"	20.974666
"855290"	1312.738666	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+Na"	20.974666
"1634028"	1312.738666	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na-2H"	20.974666
"105728"	1308.745063	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-H+Cl"	33.962126
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"941242"	662.863063	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+Cl"	33.962126
"281258"	2618.497402	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Cl"	34.969402
"674157"	3910.261402	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Cl"	34.969402
"1286925"	1326.733402	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl"	34.969402
"26936"	2620.476606	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M-2H+K"	36.948606
"465402"	3912.240606	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M-2H+K"	36.948606
"841015"	1328.712606	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-2H+K"	36.948606
"1561221"	1328.712606	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K-2H"	36.948606
"947281"	1336.762194	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+HCOOH"	44.998194
"366228"	2628.526201	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+HCOOH-H"	44.998201
"355582"	2642.541851	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Hac-H"	59.013851
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"962840"	1358.744151	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+NaCOOH"	66.980151
"114666"	1326.733402	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Cl"	69.938804
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"1320481"	1394.720829	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+NaCOOH"	102.956829
"912386"	1404.749586	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M-H+CF3COOH"	112.985586
"1289578"	1440.726264	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Cl+CF3COOH"	148.962264
"1370301"	1256.751324	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H-2H2O"	-35.012676
"1384517"	1274.7613	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H-H2O"	-17.0027
"285664"	2584.535276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H"	1.007276
"679907"	3876.299276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H"	1.007276
"1358448"	1292.771276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H"	1.007276
"131337"	1292.771276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2H"	2.014552
"570896"	1938.653276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2H"	2.014552
"1042980"	646.889276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2H"	2.014552
"209787"	862.183276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H"	3.021828
"650443"	1292.771276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+3H"	3.021828
"1165287"	431.595276	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3H"	3.021828
"425641"	2601.561823	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+NH4"	18.033823
"790648"	3893.325823	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+NH4"	18.033823
"1689165"	1309.797823	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4"	18.033823
"336351"	1301.2845495	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+NH4"	19.041099
"725491"	1947.1665495	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+NH4"	19.041099
"1482592"	655.4025495	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+NH4"	19.041099
"396903"	2606.517218	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Na"	22.989218
"757895"	3898.281218	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na"	22.989218
"1611467"	1314.753218	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na"	22.989218
"324785"	1303.762247	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+Na"	23.996494
"716113"	1949.644247	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+Na"	23.996494
"1468840"	657.880247	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+Na"	23.996494
"1055524"	438.92259	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2H+Na"	25.00377
"1262668"	1324.797486	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+CH3OH+H"	33.033486
"379054"	2622.491158	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+K"	38.963158
"741142"	3914.255158	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+K"	38.963158
"1542466"	1330.727158	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K"	38.963158
"300002"	1311.749217	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+H+K"	39.970434
"694617"	1957.631217	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+H+K"	39.970434
"1449898"	665.867217	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+K"	39.970434
"241777"	2625.561826	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+H"	42.033826
"1217772"	1333.797826	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+H"	42.033826
"1203846"	667.402551	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+2H"	43.041102
"201089"	2628.49916	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na-H"	44.97116
"638467"	3920.26316	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na-H"	44.97116
"1141973"	1336.73516	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Na-H"	44.97116
"185264"	1314.753218	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2Na"	45.978436
"627016"	1960.635218	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2Na"	45.978436
"1129427"	668.871218	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2Na"	45.978436
"1411857"	446.249904	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+2Na"	46.985712
"1442149"	1338.776746	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+HCOOH"	47.012746
"231479"	1319.78624	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+3H2O+2H"	56.04448
"1512975"	1352.82879	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+IsoProp+H"	61.06479
"413024"	1322.740188	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+Na+K"	61.952376
"774751"	1968.622188	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+Na+K"	61.952376
"1668894"	676.858188	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+K"	61.952376
"256508"	2647.543768	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+ACN+Na"	64.015768
"1234687"	1355.779768	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+ACN+Na"	64.015768
"1721386"	1355.803293	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+HCOOH"	64.039293
"1181273"	453.577218	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3Na"	68.967654
"1655539"	1360.758688	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+HCOOH"	68.994688
"160214"	2660.44704	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K-H"	76.91904
"605241"	3952.21104	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K-H"	76.91904
"1088662"	1368.68304	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K-H"	76.91904
"144384"	1330.727158	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"2M+2K"	77.926316
"583944"	1976.609158	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"3M+2K"	77.926316
"1070400"	684.845158	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K"	77.926316
"1101788"	1370.697592	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2K+H"	78.933592
"1336711"	1370.785207	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+DMSO+H"	79.021207
"1008403"	1374.824376	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+H"	83.060376
"1527622"	1375.818008	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+IsoProp+Na+H"	84.054008
"993707"	687.915826	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+2ACN+2H"	84.067652
"1593321"	1376.732628	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K+HCOOH"	84.968628
"1423355"	1406.764138	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+H+CF3COOH"	115.000138
"1159111"	708.429101	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+3ACN+2H"	125.094202
"1704288"	1423.790685	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+NH4+CF3COOH"	132.026685
"1639939"	1428.74608	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+Na+CF3COOH"	136.98208
"1586524"	1444.72002	"C20619"	"beta-D-Glc-(1-3)-alpha-D-GlcNAc-diphospho-ditransoctacis-undecaprenol"	"C69H115NO17P2"	"1291.764"	"M+K+CF3COOH"	152.95602
"814339"	1129.7112	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M"	0
"988241"	1110.69281	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-H2O-H"	-19.01839
"75020"	752.133524	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M-3H"	-3.021828
"510578"	1128.703924	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M-3H"	-3.021828
"880602"	375.563124	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-3H"	-3.021828
"877"	1128.703924	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M-2H"	-2.014552
"440680"	1693.559524	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M-2H"	-2.014552
"819939"	563.848324	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-2H"	-2.014552
"92700"	2258.415124	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M-H"	-1.007276
"532503"	3388.126324	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M-H"	-1.007276
"907145"	1128.703924	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-H"	-1.007276
"58239"	2275.441671	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M-2H+NH4"	16.019271
"489415"	3405.152871	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M-2H+NH4"	16.019271
"866487"	1145.730471	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-2H+NH4"	16.019271
"34386"	2280.397066	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M-2H+Na"	20.974666
"474674"	3410.108266	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M-2H+Na"	20.974666
"855400"	1150.685866	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-2H+Na"	20.974666
"1629309"	1150.685866	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Na-2H"	20.974666
"102558"	1146.692263	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M-H+Cl"	33.962126
"539932"	1711.547863	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M-H+Cl"	33.962126
"935635"	581.836663	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-H+Cl"	33.962126
"275286"	2294.391802	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+Cl"	34.969402
"666611"	3424.103002	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+Cl"	34.969402
"1277922"	1164.680602	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Cl"	34.969402
"21579"	2296.371006	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M-2H+K"	36.948606
"465511"	3426.082206	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M-2H+K"	36.948606
"840032"	1166.659806	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-2H+K"	36.948606
"1560602"	1166.659806	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+K-2H"	36.948606
"947390"	1174.709394	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-H+HCOOH"	44.998194
"364879"	2304.420601	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+HCOOH-H"	44.998201
"353505"	2318.436251	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+Hac-H"	59.013851
"1501245"	1188.725051	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Hac-H"	59.013851
"962949"	1196.691351	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-H+NaCOOH"	66.980151
"115503"	1164.680602	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+2Cl"	69.938804
"554335"	1729.536202	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+2Cl"	69.938804
"1025324"	599.825002	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2Cl"	69.938804
"1242472"	1208.630085	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Br"	78.918885
"1304594"	1210.686072	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Cl+HCOOH"	80.974872
"1320104"	1232.668029	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Cl+NaCOOH"	102.956829
"912013"	1242.696786	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M-H+CF3COOH"	112.985586
"1289333"	1278.673464	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Cl+CF3COOH"	148.962264
"1367981"	1094.698524	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H-2H2O"	-35.012676
"1383286"	1112.7085	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H-H2O"	-17.0027
"290877"	2260.429676	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+H"	1.007276
"680017"	3390.140876	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+H"	1.007276
"1359648"	1130.718476	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H"	1.007276
"133633"	1130.718476	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+2H"	2.014552
"571008"	1695.574076	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+2H"	2.014552
"1037987"	565.862876	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2H"	2.014552
"206005"	754.148076	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+3H"	3.021828
"646294"	1130.718476	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+3H"	3.021828
"1163573"	377.577676	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+3H"	3.021828
"425260"	2277.456223	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+NH4"	18.033823
"786497"	3407.167423	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+NH4"	18.033823
"1682099"	1147.745023	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+NH4"	18.033823
"330622"	1139.2317495	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+H+NH4"	19.041099
"722850"	1704.0873495	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+H+NH4"	19.041099
"1477471"	574.3761495	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H+NH4"	19.041099
"397011"	2282.411618	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+Na"	22.989218
"759098"	3412.122818	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+Na"	22.989218
"1611577"	1152.700418	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Na"	22.989218
"324895"	1141.709447	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+H+Na"	23.996494
"716223"	1706.565047	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+H+Na"	23.996494
"1467856"	576.853847	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H+Na"	23.996494
"1055634"	384.90499	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2H+Na"	25.00377
"1259862"	1162.744686	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+CH3OH+H"	33.033486
"380260"	2298.385558	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+K"	38.963158
"740889"	3428.096758	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+K"	38.963158
"1540874"	1168.674358	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+K"	38.963158
"299383"	1149.696417	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+H+K"	39.970434
"695091"	1714.552017	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+H+K"	39.970434
"1448916"	584.840817	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H+K"	39.970434
"239700"	2301.456226	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+ACN+H"	42.033826
"1216789"	1171.745026	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+ACN+H"	42.033826
"1206143"	586.376151	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+ACN+2H"	43.041102
"200106"	2304.39356	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+2Na-H"	44.97116
"639670"	3434.10476	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+2Na-H"	44.97116
"1139894"	1174.68236	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2Na-H"	44.97116
"182092"	1152.700418	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+2Na"	45.978436
"624931"	1717.556018	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+2Na"	45.978436
"1126249"	587.844818	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2Na"	45.978436
"1409779"	392.232304	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H+2Na"	46.985712
"1441895"	1176.723946	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H+HCOOH"	47.012746
"230496"	1157.73344	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+3H2O+2H"	56.04448
"1511991"	1190.77599	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+IsoProp+H"	61.06479
"413864"	1160.687388	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+Na+K"	61.952376
"773769"	1725.542988	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+Na+K"	61.952376
"1675566"	595.831788	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Na+K"	61.952376
"258808"	2323.438168	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+ACN+Na"	64.015768
"1236984"	1193.726968	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+ACN+Na"	64.015768
"1722591"	1193.750493	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+NH4+HCOOH"	64.039293
"1181748"	399.559618	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+3Na"	68.967654
"1658932"	1198.705888	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Na+HCOOH"	68.994688
"161418"	2336.34144	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+2K-H"	76.91904
"604259"	3466.05264	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+2K-H"	76.91904
"1087678"	1206.63024	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2K-H"	76.91904
"144129"	1168.674358	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"2M+2K"	77.926316
"586242"	1733.529958	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"3M+2K"	77.926316
"1070266"	603.818758	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2K"	77.926316
"1101651"	1208.644792	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2K+H"	78.933592
"1338525"	1208.732407	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+DMSO+H"	79.021207
"1008513"	1212.771576	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2ACN+H"	83.060376
"1527003"	1213.765208	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+IsoProp+Na+H"	84.054008
"993453"	606.889426	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+2ACN+2H"	84.067652
"1592338"	1214.679828	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+K+HCOOH"	84.968628
"1417267"	1244.711338	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+H+CF3COOH"	115.000138
"1155941"	627.402701	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+3ACN+2H"	125.094202
"1697471"	1261.737885	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+NH4+CF3COOH"	132.026685
"1637132"	1266.69328	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+Na+CF3COOH"	136.98208
"1586634"	1282.66722	"C20620"	"N-Acetyl-alpha-D-galactosaminyl-diphospho-ditransoctacis-undecaprenol;N-Acetyl-alpha-D-galactosaminyl-1-diphospho-ditransoctacis-undecaprenol"	"C63H105NO12P2"	"1129.7112"	"M+K+CF3COOH"	152.95602
"816271"	1332.7906	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M"	0
"987987"	1313.77221	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H2O-H"	-19.01839
"76223"	887.519790666667	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-3H"	-3.021828
"512875"	1331.783324	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-3H"	-3.021828
"880591"	443.256257333333	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-3H"	-3.021828
"258"	1331.783324	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H"	-2.014552
"440426"	1998.178624	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H"	-2.014552
"820049"	665.388024	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H"	-2.014552
"90624"	2664.573924	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-H"	-1.007276
"531641"	3997.364524	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-H"	-1.007276
"907255"	1331.783324	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H"	-1.007276
"60537"	2681.600471	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H+NH4"	16.019271
"487341"	4014.391071	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H+NH4"	16.019271
"865870"	1348.809871	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H+NH4"	16.019271
"33402"	2686.555866	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H+Na"	20.974666
"473691"	4019.346466	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H+Na"	20.974666
"864192"	1353.765266	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H+Na"	20.974666
"1629419"	1353.765266	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na-2H"	20.974666
"108138"	1349.771663	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-H+Cl"	33.962126
"546602"	2016.166963	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-H+Cl"	33.962126
"940848"	683.376363	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+Cl"	33.962126
"280863"	2700.550602	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Cl"	34.969402
"668909"	4033.341202	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+Cl"	34.969402
"1283499"	1367.760002	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl"	34.969402
"22785"	2702.529806	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M-2H+K"	36.948606
"461251"	4035.320406	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M-2H+K"	36.948606
"840144"	1369.739206	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-2H+K"	36.948606
"1562535"	1369.739206	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K-2H"	36.948606
"948231"	1377.788794	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+HCOOH"	44.998194
"365356"	2710.579401	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+HCOOH-H"	44.998201
"349239"	2724.595051	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Hac-H"	59.013851
"1498437"	1391.804451	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Hac-H"	59.013851
"963060"	1399.770751	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+NaCOOH"	66.980151
"115976"	1367.760002	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2Cl"	69.938804
"554445"	2034.155302	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2Cl"	69.938804
"1025069"	701.364702	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2Cl"	69.938804
"1242091"	1411.709485	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Br"	78.918885
"1304326"	1413.765472	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl+HCOOH"	80.974872
"1320825"	1435.747429	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl+NaCOOH"	102.956829
"911380"	1445.776186	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M-H+CF3COOH"	112.985586
"1289443"	1481.752864	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Cl+CF3COOH"	148.962264
"1370885"	1297.777924	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H-2H2O"	-35.012676
"1385101"	1315.7879	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H-H2O"	-17.0027
"282843"	2666.588476	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H"	1.007276
"679398"	3999.379076	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H"	1.007276
"1358665"	1333.797876	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H"	1.007276
"136294"	1333.797876	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2H"	2.014552
"574034"	2000.193176	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2H"	2.014552
"1040284"	667.402576	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2H"	2.014552
"210006"	889.534342666667	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+3H"	3.021828
"648473"	1333.797876	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+3H"	3.021828
"1168786"	445.270809333333	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+3H"	3.021828
"425497"	2683.615023	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+NH4"	18.033823
"785924"	4016.405623	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+NH4"	18.033823
"1681482"	1350.824423	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+NH4"	18.033823
"330289"	1342.3111495	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H+NH4"	19.041099
"722819"	2008.7064495	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H+NH4"	19.041099
"1477175"	675.9158495	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+NH4"	19.041099
"399307"	2688.570418	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Na"	22.989218
"758115"	4021.361018	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+Na"	22.989218
"1616913"	1355.779818	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na"	22.989218
"326099"	1344.788847	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H+Na"	23.996494
"717426"	2011.184147	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H+Na"	23.996494
"1467966"	678.393547	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+Na"	23.996494
"1056838"	452.598123333333	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2H+Na"	25.00377
"1259608"	1365.824086	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+CH3OH+H"	33.033486
"381463"	2704.544358	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+K"	38.963158
"742457"	4037.334958	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+K"	38.963158
"1540499"	1371.753758	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K"	38.963158
"300227"	1352.775817	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+H+K"	39.970434
"695203"	2019.171117	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+H+K"	39.970434
"1447931"	686.380517	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+K"	39.970434
"239811"	2707.615026	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+ACN+H"	42.033826
"1217994"	1374.824426	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+ACN+H"	42.033826
"1208439"	687.915851	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+ACN+2H"	43.041102
"203620"	2710.55236	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2Na-H"	44.97116
"638684"	4043.34296	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2Na-H"	44.97116
"1144378"	1377.76176	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2Na-H"	44.97116
"184387"	1355.779818	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2Na"	45.978436
"626864"	2022.175118	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2Na"	45.978436
"1129275"	689.384518	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2Na"	45.978436
"1408425"	459.925437333333	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+2Na"	46.985712
"1442006"	1379.803346	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+HCOOH"	47.012746
"232793"	1360.81284	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+3H2O+2H"	56.04448
"1511011"	1393.85539	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+IsoProp+H"	61.06479
"415070"	1363.766788	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+Na+K"	61.952376
"773880"	2030.162088	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+Na+K"	61.952376
"1672398"	697.371488	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na+K"	61.952376
"258918"	2729.596968	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+ACN+Na"	64.015768
"1233815"	1396.806368	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+ACN+Na"	64.015768
"1722703"	1396.829893	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+NH4+HCOOH"	64.039293
"1183682"	467.252751333333	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+3Na"	68.967654
"1655763"	1401.785288	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na+HCOOH"	68.994688
"163717"	2742.50024	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2K-H"	76.91904
"606558"	4075.29084	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2K-H"	76.91904
"1087789"	1409.70964	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2K-H"	76.91904
"144604"	1371.753758	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"2M+2K"	77.926316
"586352"	2038.149058	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"3M+2K"	77.926316
"1071958"	705.358458	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2K"	77.926316
"1101157"	1411.724192	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2K+H"	78.933592
"1339729"	1411.811807	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+DMSO+H"	79.021207
"1010082"	1415.850976	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2ACN+H"	83.060376
"1526749"	1416.844608	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+IsoProp+Na+H"	84.054008
"992834"	708.429126	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+2ACN+2H"	84.067652
"1590262"	1417.759228	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K+HCOOH"	84.968628
"1420295"	1447.790738	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+H+CF3COOH"	115.000138
"1153864"	728.942401	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+3ACN+2H"	125.094202
"1699040"	1464.817285	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+NH4+CF3COOH"	132.026685
"1640158"	1469.77268	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+Na+CF3COOH"	136.98208
"1586744"	1485.74662	"C20621"	"alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C71H118N2O17P2"	"1332.7906"	"M+K+CF3COOH"	152.95602
"812736"	1494.8434	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M"	0
"988463"	1475.82501	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-H2O-H"	-19.01839
"75240"	995.554990666667	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M-3H"	-3.021828
"515901"	1493.836124	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M-3H"	-3.021828
"883132"	497.273857333333	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-3H"	-3.021828
"2800"	1493.836124	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M-2H"	-2.014552
"440538"	2241.257824	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M-2H"	-2.014552
"818703"	746.414424	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-2H"	-2.014552
"91099"	2988.679524	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M-H"	-1.007276
"532725"	4483.522924	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M-H"	-1.007276
"905179"	1493.836124	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-H"	-1.007276
"58460"	3005.706071	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M-2H+NH4"	16.019271
"487692"	4500.549471	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M-2H+NH4"	16.019271
"865977"	1510.862671	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-2H+NH4"	16.019271
"33876"	3010.661466	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M-2H+Na"	20.974666
"473801"	4505.504866	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M-2H+Na"	20.974666
"863521"	1515.818066	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-2H+Na"	20.974666
"1630623"	1515.818066	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Na-2H"	20.974666
"106059"	1511.824463	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M-H+Cl"	33.962126
"541244"	2259.246163	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M-H+Cl"	33.962126
"932571"	764.402763	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-H+Cl"	33.962126
"275503"	3024.656202	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+Cl"	34.969402
"664643"	4519.499602	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+Cl"	34.969402
"1284703"	1529.812802	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Cl"	34.969402
"23984"	3026.635406	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M-2H+K"	36.948606
"463544"	4521.478806	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M-2H+K"	36.948606
"841344"	1531.792006	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-2H+K"	36.948606
"1557541"	1531.792006	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+K-2H"	36.948606
"948341"	1539.841594	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-H+HCOOH"	44.998194
"365102"	3034.685001	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+HCOOH-H"	44.998201
"349715"	3048.700651	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+Hac-H"	59.013851
"1498546"	1553.857251	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Hac-H"	59.013851
"962441"	1561.823551	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-H+NaCOOH"	66.980151
"114629"	1529.812802	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+2Cl"	69.938804
"552369"	2277.234502	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+2Cl"	69.938804
"1023357"	782.391102	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2Cl"	69.938804
"1241634"	1573.762285	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Br"	78.918885
"1304688"	1575.818272	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Cl+HCOOH"	80.974872
"1321422"	1597.800229	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Cl+NaCOOH"	102.956829
"911536"	1607.828986	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M-H+CF3COOH"	112.985586
"1289553"	1643.805664	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Cl+CF3COOH"	148.962264
"1369537"	1459.830724	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H-2H2O"	-35.012676
"1385212"	1477.8407	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H-H2O"	-17.0027
"284290"	2990.694076	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+H"	1.007276
"678051"	4485.537476	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+H"	1.007276
"1357682"	1495.850676	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H"	1.007276
"136769"	1495.850676	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+2H"	2.014552
"573416"	2243.272376	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+2H"	2.014552
"1041123"	748.428976	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2H"	2.014552
"210116"	997.569542666667	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+3H"	3.021828
"648583"	1495.850676	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+3H"	3.021828
"1167803"	499.288409333333	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+3H"	3.021828
"426335"	3007.720623	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+NH4"	18.033823
"786966"	4502.564023	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+NH4"	18.033823
"1681716"	1512.877223	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+NH4"	18.033823
"331576"	1504.3639495	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+H+NH4"	19.041099
"723023"	2251.7856495	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+H+NH4"	19.041099
"1477131"	756.9422495	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H+NH4"	19.041099
"399417"	3012.676018	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+Na"	22.989218
"759319"	4507.519418	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+Na"	22.989218
"1616172"	1517.832618	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Na"	22.989218
"325116"	1506.841647	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+H+Na"	23.996494
"715349"	2254.263347	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+H+Na"	23.996494
"1468076"	759.419947	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H+Na"	23.996494
"1058041"	506.615723333333	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2H+Na"	25.00377
"1257447"	1527.876886	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+CH3OH+H"	33.033486
"381573"	3028.649958	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+K"	38.963158
"742567"	4523.493358	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+K"	38.963158
"1543158"	1533.806558	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+K"	38.963158
"301430"	1514.828617	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+H+K"	39.970434
"696039"	2262.250317	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+H+K"	39.970434
"1450589"	767.406917	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H+K"	39.970434
"240648"	3031.720626	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+ACN+H"	42.033826
"1212626"	1536.877226	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+ACN+H"	42.033826
"1208549"	768.942251	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+ACN+2H"	43.041102
"202878"	3034.65796	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+2Na-H"	44.97116
"636607"	4529.50136	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+2Na-H"	44.97116
"1142300"	1539.81456	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2Na-H"	44.97116
"183404"	1517.832618	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+2Na"	45.978436
"623694"	2265.254318	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+2Na"	45.978436
"1127199"	770.410918	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2Na"	45.978436
"1412182"	513.943037333333	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H+2Na"	46.985712
"1441744"	1541.856146	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H+HCOOH"	47.012746
"231810"	1522.86564	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+3H2O+2H"	56.04448
"1512575"	1555.90819	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+IsoProp+H"	61.06479
"414086"	1525.819588	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+Na+K"	61.952376
"771803"	2273.241288	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+Na+K"	61.952376
"1671414"	778.397888	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Na+K"	61.952376
"256113"	3053.702568	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+ACN+Na"	64.015768
"1231009"	1558.859168	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+ACN+Na"	64.015768
"1721720"	1558.882693	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+NH4+HCOOH"	64.039293
"1181241"	521.270351333333	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+3Na"	68.967654
"1655872"	1563.838088	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Na+HCOOH"	68.994688
"162369"	3066.60584	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+2K-H"	76.91904
"605575"	4561.44924	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+2K-H"	76.91904
"1086441"	1571.76244	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2K-H"	76.91904
"143985"	1533.806558	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"2M+2K"	77.926316
"586463"	2281.228258	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"3M+2K"	77.926316
"1070975"	786.384858	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2K"	77.926316
"1101388"	1573.776992	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2K+H"	78.933592
"1339475"	1573.864607	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+DMSO+H"	79.021207
"1008006"	1577.903776	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2ACN+H"	83.060376
"1526131"	1578.897408	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+IsoProp+Na+H"	84.054008
"993673"	789.455526	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+2ACN+2H"	84.067652
"1592559"	1579.812028	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+K+HCOOH"	84.968628
"1420405"	1609.843538	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+H+CF3COOH"	115.000138
"1153974"	809.968801	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+3ACN+2H"	125.094202
"1699150"	1626.870085	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+NH4+CF3COOH"	132.026685
"1645736"	1631.82548	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+Na+CF3COOH"	136.98208
"1586854"	1647.79942	"C20622"	"beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C77H128N2O22P2"	"1494.8434"	"M+K+CF3COOH"	152.95602
"813939"	632.4661	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M"	0
"988817"	613.44771	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-H2O-H"	-19.01839
"75714"	420.636790666667	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M-3H"	-3.021828
"517104"	631.458824	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M-3H"	-3.021828
"882149"	209.814757333333	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-3H"	-3.021828
"966"	631.458824	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M-2H"	-2.014552
"441012"	947.691874	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M-2H"	-2.014552
"821365"	315.225774	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-2H"	-2.014552
"92545"	1263.924924	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M-H"	-1.007276
"531740"	1896.391024	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M-H"	-1.007276
"909056"	631.458824	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-H"	-1.007276
"59301"	1280.951471	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M-2H+NH4"	16.019271
"489384"	1913.417571	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M-2H+NH4"	16.019271
"870465"	648.485371	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-2H+NH4"	16.019271
"37269"	1285.906866	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M-2H+Na"	20.974666
"476829"	1918.372966	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M-2H+Na"	20.974666
"862538"	653.440766	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-2H+Na"	20.974666
"1630733"	653.440766	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Na-2H"	20.974666
"103983"	649.447163	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M-H+Cl"	33.962126
"543541"	965.680213	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M-H+Cl"	33.962126
"932681"	333.214113	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-H+Cl"	33.962126
"274520"	1299.901602	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+Cl"	34.969402
"666940"	1932.367702	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+Cl"	34.969402
"1279345"	667.435502	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Cl"	34.969402
"23001"	1301.880806	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M-2H+K"	36.948606
"460374"	1934.346906	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M-2H+K"	36.948606
"838175"	669.414706	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-2H+K"	36.948606
"1561661"	669.414706	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+K-2H"	36.948606
"949545"	677.464294	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-H+HCOOH"	44.998194
"365574"	1309.930401	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+HCOOH-H"	44.998201
"349822"	1323.946051	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+Hac-H"	59.013851
"1494644"	691.479951	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Hac-H"	59.013851
"962551"	699.446251	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-H+NaCOOH"	66.980151
"114374"	667.435502	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+2Cl"	69.938804
"555758"	983.668552	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+2Cl"	69.938804
"1022006"	351.202452	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2Cl"	69.938804
"1241701"	711.384985	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Br"	78.918885
"1304635"	713.440972	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Cl+HCOOH"	80.974872
"1320192"	735.422929	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Cl+NaCOOH"	102.956829
"911571"	745.451686	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M-H+CF3COOH"	112.985586
"1291849"	781.428364	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Cl+CF3COOH"	148.962264
"1367860"	597.453424	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H-2H2O"	-35.012676
"1384953"	615.4634	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H-H2O"	-17.0027
"283792"	1265.939476	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+H"	1.007276
"676822"	1898.405576	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+H"	1.007276
"1358885"	633.473376	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H"	1.007276
"129588"	633.473376	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+2H"	2.014552
"568418"	949.706426	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+2H"	2.014552
"1041597"	317.240326	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2H"	2.014552
"209497"	422.651342666667	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+3H"	3.021828
"649786"	633.473376	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+3H"	3.021828
"1169006"	211.829309333333	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+3H"	3.021828
"425838"	1282.966023	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+NH4"	18.033823
"789992"	1915.432123	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+NH4"	18.033823
"1685230"	650.499923	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+NH4"	18.033823
"334602"	641.9866495	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+H+NH4"	19.041099
"724837"	958.2196995	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+H+NH4"	19.041099
"1480115"	325.7535995	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H+NH4"	19.041099
"399528"	1287.921418	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+Na"	22.989218
"760522"	1920.387518	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+Na"	22.989218
"1613002"	655.455318	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Na"	22.989218
"323038"	644.464347	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+H+Na"	23.996494
"713272"	960.697397	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+H+Na"	23.996494
"1464905"	328.231297	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H+Na"	23.996494
"1054868"	219.156623333333	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2H+Na"	25.00377
"1259096"	665.499586	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+CH3OH+H"	33.033486
"382045"	1303.895358	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+K"	38.963158
"743770"	1936.361458	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+K"	38.963158
"1542903"	671.429258	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+K"	38.963158
"301904"	652.451317	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+H+K"	39.970434
"696879"	968.684367	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+H+K"	39.970434
"1449604"	336.218267	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H+K"	39.970434
"241851"	1306.966026	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+ACN+H"	42.033826
"1216744"	674.499926	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+ACN+H"	42.033826
"1202099"	337.753601	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+ACN+2H"	43.041102
"193876"	1309.90336	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+2Na-H"	44.97116
"633437"	1942.36946	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+2Na-H"	44.97116
"1142410"	677.43726	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2Na-H"	44.97116
"178046"	655.455318	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+2Na"	45.978436
"619429"	971.688368	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+2Na"	45.978436
"1117831"	339.222268	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2Na"	45.978436
"1401355"	226.483937333333	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H+2Na"	46.985712
"1434200"	679.478846	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H+HCOOH"	47.012746
"228269"	660.48834	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+3H2O+2H"	56.04448
"1509404"	693.53089	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+IsoProp+H"	61.06479
"411644"	663.442288	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+Na+K"	61.952376
"771914"	979.675338	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+Na+K"	61.952376
"1672616"	347.209238	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Na+K"	61.952376
"255859"	1328.947968	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+ACN+Na"	64.015768
"1230755"	696.481868	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+ACN+Na"	64.015768
"1717819"	696.505393	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+NH4+HCOOH"	64.039293
"1181351"	233.811251333333	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+3Na"	68.967654
"1655254"	701.460788	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Na+HCOOH"	68.994688
"163572"	1341.85124	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+2K-H"	76.91904
"605683"	1974.31734	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+2K-H"	76.91904
"1085456"	709.38514	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2K-H"	76.91904
"144096"	671.429258	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"2M+2K"	77.926316
"583292"	987.662308	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"3M+2K"	77.926316
"1071084"	355.196208	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2K"	77.926316
"1103201"	711.399692	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2K+H"	78.933592
"1338855"	711.487307	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+DMSO+H"	79.021207
"1007751"	715.526476	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2ACN+H"	83.060376
"1525997"	716.520108	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+IsoProp+Na+H"	84.054008
"992690"	358.266876	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+2ACN+2H"	84.067652
"1594856"	717.434728	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+K+HCOOH"	84.968628
"1420515"	747.466238	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+H+CF3COOH"	115.000138
"1157364"	378.780151	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+3ACN+2H"	125.094202
"1701446"	764.492785	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+NH4+CF3COOH"	132.026685
"1645846"	769.44818	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+Na+CF3COOH"	136.98208
"1586964"	785.42212	"C20623"	"Caldariellaquinol"	"C39H68O2S2"	"632.4661"	"M+K+CF3COOH"	152.95602
"814049"	630.4504	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M"	0
"989910"	611.43201	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-H2O-H"	-19.01839
"73638"	419.292990666667	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M-3H"	-3.021828
"518472"	629.443124	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M-3H"	-3.021828
"885539"	209.142857333333	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-3H"	-3.021828
"5207"	629.443124	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M-2H"	-2.014552
"444767"	944.668324	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M-2H"	-2.014552
"821475"	314.217924	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-2H"	-2.014552
"93269"	1259.893524	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M-H"	-1.007276
"533435"	1890.343924	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M-H"	-1.007276
"910020"	629.443124	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-H"	-1.007276
"61237"	1276.920071	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M-2H+NH4"	16.019271
"494961"	1907.370471	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M-2H+NH4"	16.019271
"876041"	646.469671	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-2H+NH4"	16.019271
"38473"	1281.875466	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M-2H+Na"	20.974666
"478033"	1912.325866	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M-2H+Na"	20.974666
"863458"	651.425066	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-2H+Na"	20.974666
"1631936"	651.425066	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Na-2H"	20.974666
"106279"	647.431463	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M-H+Cl"	33.962126
"544745"	962.656663	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M-H+Cl"	33.962126
"932791"	332.206263	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-H+Cl"	33.962126
"275723"	1295.870202	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+Cl"	34.969402
"667050"	1926.320602	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+Cl"	34.969402
"1280548"	665.419802	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Cl"	34.969402
"24201"	1297.849406	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M-2H+K"	36.948606
"461578"	1928.299806	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M-2H+K"	36.948606
"839378"	667.399006	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-2H+K"	36.948606
"1560677"	667.399006	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+K-2H"	36.948606
"950748"	675.448594	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-H+HCOOH"	44.998194
"364954"	1305.899001	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+HCOOH-H"	44.998201
"349932"	1319.914651	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+Hac-H"	59.013851
"1494874"	689.464251	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Hac-H"	59.013851
"963025"	697.430551	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-H+NaCOOH"	66.980151
"115213"	665.419802	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+2Cl"	69.938804
"555868"	980.645002	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+2Cl"	69.938804
"1023942"	350.194602	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2Cl"	69.938804
"1242055"	709.369285	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Br"	78.918885
"1304263"	711.425272	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Cl+HCOOH"	80.974872
"1319944"	733.407229	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Cl+NaCOOH"	102.956829
"911396"	743.435986	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M-H+CF3COOH"	112.985586
"1288794"	779.412664	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Cl+CF3COOH"	148.962264
"1367930"	595.437724	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H-2H2O"	-35.012676
"1386156"	613.4477	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H-H2O"	-17.0027
"285844"	1261.908076	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+H"	1.007276
"677535"	1892.358476	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+H"	1.007276
"1351574"	631.457676	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H"	1.007276
"126044"	631.457676	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+2H"	2.014552
"567067"	946.682876	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+2H"	2.014552
"1037565"	316.232476	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2H"	2.014552
"205352"	421.307542666667	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+3H"	3.021828
"650990"	631.457676	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+3H"	3.021828
"1163647"	211.157409333333	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+3H"	3.021828
"425947"	1278.934623	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+NH4"	18.033823
"791195"	1909.385023	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+NH4"	18.033823
"1684247"	648.484223	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+NH4"	18.033823
"332525"	639.9709495	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+H+NH4"	19.041099
"723239"	955.1961495	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+H+NH4"	19.041099
"1482048"	324.7457495	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H+NH4"	19.041099
"393067"	1283.890018	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+Na"	22.989218
"755038"	1914.340418	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+Na"	22.989218
"1607642"	653.439618	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Na"	22.989218
"318043"	642.448647	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+H+Na"	23.996494
"709006"	957.673847	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+H+Na"	23.996494
"1465012"	327.223447	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H+Na"	23.996494
"1056072"	218.484723333333	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2H+Na"	25.00377
"1258111"	663.483886	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+CH3OH+H"	33.033486
"378506"	1299.863958	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+K"	38.963158
"739504"	1930.314358	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+K"	38.963158
"1541191"	669.413558	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+K"	38.963158
"300554"	650.435617	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+H+K"	39.970434
"693704"	965.660817	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+H+K"	39.970434
"1448255"	335.210417	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H+K"	39.970434
"240135"	1302.934626	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+ACN+H"	42.033826
"1216124"	672.484226	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+ACN+H"	42.033826
"1198925"	336.745751	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+ACN+2H"	43.041102
"196172"	1305.87196	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+2Na-H"	44.97116
"634638"	1936.32236	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+2Na-H"	44.97116
"1134859"	675.42156	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2Na-H"	44.97116
"177059"	653.439618	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+2Na"	45.978436
"620995"	968.664818	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+2Na"	45.978436
"1123406"	338.214418	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2Na"	45.978436
"1408024"	225.812037333333	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H+2Na"	46.985712
"1440139"	677.463146	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H+HCOOH"	47.012746
"227645"	658.47264	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+3H2O+2H"	56.04448
"1510245"	691.51519	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+IsoProp+H"	61.06479
"410658"	661.426588	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+Na+K"	61.952376
"772748"	976.651788	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+Na+K"	61.952376
"1670539"	346.201388	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Na+K"	61.952376
"259245"	1324.916568	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+ACN+Na"	64.015768
"1234873"	694.466168	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+ACN+Na"	64.015768
"1719751"	694.489693	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+NH4+HCOOH"	64.039293
"1187292"	233.139351333333	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+3Na"	68.967654
"1657186"	699.445088	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Na+HCOOH"	68.994688
"164411"	1337.81984	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+2K-H"	76.91904
"602879"	1968.27024	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+2K-H"	76.91904
"1091403"	707.36944	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2K-H"	76.91904
"144206"	669.413558	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"2M+2K"	77.926316
"583158"	984.638758	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"3M+2K"	77.926316
"1075568"	354.188358	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2K"	77.926316
"1105496"	709.383992	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2K+H"	78.933592
"1340786"	709.471607	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+DMSO+H"	79.021207
"1009682"	713.510776	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2ACN+H"	83.060376
"1525986"	714.504408	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+IsoProp+Na+H"	84.054008
"990733"	357.259026	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+2ACN+2H"	84.067652
"1588763"	715.419028	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+K+HCOOH"	84.968628
"1418435"	745.450538	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+H+CF3COOH"	115.000138
"1147627"	377.772301	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+3ACN+2H"	125.094202
"1698274"	762.477085	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+NH4+CF3COOH"	132.026685
"1637205"	767.43248	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+Na+CF3COOH"	136.98208
"1572491"	783.40642	"C20624"	"Caldariellaquinone"	"C39H66O2S2"	"630.4504"	"M+K+CF3COOH"	152.95602
"814889"	1640.9013	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M"	0
"988787"	1621.88291	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-H2O-H"	-19.01839
"74841"	1092.926924	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M-3H"	-3.021828
"518013"	1639.894024	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M-3H"	-3.021828
"885649"	545.959824	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-3H"	-3.021828
"6411"	1639.894024	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M-2H"	-2.014552
"444877"	2460.344674	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M-2H"	-2.014552
"820491"	819.443374	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-2H"	-2.014552
"93496"	3280.795324	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M-H"	-1.007276
"533178"	4921.696624	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M-H"	-1.007276
"908063"	1639.894024	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-H"	-1.007276
"60251"	3297.821871	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M-2H+NH4"	16.019271
"491791"	4938.723171	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M-2H+NH4"	16.019271
"876151"	1656.920571	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-2H+NH4"	16.019271
"38583"	3302.777266	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M-2H+Na"	20.974666
"478143"	4943.678566	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M-2H+Na"	20.974666
"863001"	1661.875966	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-2H+Na"	20.974666
"1630953"	1661.875966	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Na-2H"	20.974666
"107483"	1657.882363	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M-H+Cl"	33.962126
"543762"	2478.333013	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M-H+Cl"	33.962126
"931808"	837.431713	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-H+Cl"	33.962126
"275833"	3316.772002	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+Cl"	34.969402
"666067"	4957.673302	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+Cl"	34.969402
"1280658"	1675.870702	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Cl"	34.969402
"25404"	3318.751206	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M-2H+K"	36.948606
"462781"	4959.652506	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M-2H+K"	36.948606
"836207"	1677.849906	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-2H+K"	36.948606
"1561880"	1677.849906	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+K-2H"	36.948606
"949765"	1685.899494	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-H+HCOOH"	44.998194
"366157"	3326.800801	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+HCOOH-H"	44.998201
"351864"	3340.816451	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+Hac-H"	59.013851
"1495228"	1699.915151	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Hac-H"	59.013851
"963135"	1707.881451	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-H+NaCOOH"	66.980151
"118239"	1675.870702	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+2Cl"	69.938804
"556705"	2496.321352	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+2Cl"	69.938804
"1022593"	855.420052	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2Cl"	69.938804
"1241803"	1719.820185	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Br"	78.918885
"1304274"	1721.876172	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Cl+HCOOH"	80.974872
"1320166"	1743.858129	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Cl+NaCOOH"	102.956829
"912198"	1753.886886	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M-H+CF3COOH"	112.985586
"1289879"	1789.863564	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Cl+CF3COOH"	148.962264
"1369863"	1605.888624	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H-2H2O"	-35.012676
"1386995"	1623.8986	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H-H2O"	-17.0027
"285222"	3282.809876	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+H"	1.007276
"677644"	4923.711176	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+H"	1.007276
"1355817"	1641.908576	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H"	1.007276
"126886"	1641.908576	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+2H"	2.014552
"569730"	2462.359226	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+2H"	2.014552
"1039259"	821.457926	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2H"	2.014552
"205339"	1094.941476	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+3H"	3.021828
"653287"	1641.908576	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+3H"	3.021828
"1163392"	547.974376	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+3H"	3.021828
"425936"	3299.836423	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+NH4"	18.033823
"791305"	4940.737723	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+NH4"	18.033823
"1685450"	1658.935123	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+NH4"	18.033823
"331542"	1650.4218495	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+H+NH4"	19.041099
"725056"	2470.8724995	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+H+NH4"	19.041099
"1482158"	829.9711995	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H+NH4"	19.041099
"393911"	3304.791818	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+Na"	22.989218
"754335"	4945.693118	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+Na"	22.989218
"1611033"	1663.890518	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Na"	22.989218
"319975"	1652.899547	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+H+Na"	23.996494
"711304"	2473.350197	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+H+Na"	23.996494
"1467309"	832.448897	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H+Na"	23.996494
"1059463"	555.30169	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2H+Na"	25.00377
"1261138"	1673.934786	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+CH3OH+H"	33.033486
"377890"	3320.765758	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+K"	38.963158
"740709"	4961.667058	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+K"	38.963158
"1542759"	1679.864458	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+K"	38.963158
"300665"	1660.886517	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+H+K"	39.970434
"694179"	2481.337167	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+H+K"	39.970434
"1448364"	840.435867	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H+K"	39.970434
"241339"	3323.836426	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+ACN+H"	42.033826
"1218420"	1682.935126	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+ACN+H"	42.033826
"1199035"	841.971201	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+ACN+2H"	43.041102
"195188"	3326.77376	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+2Na-H"	44.97116
"634748"	4967.67506	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+2Na-H"	44.97116
"1136065"	1685.87246	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2Na-H"	44.97116
"179357"	1663.890518	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+2Na"	45.978436
"617824"	2484.341168	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+2Na"	45.978436
"1124610"	843.439868	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2Na"	45.978436
"1409955"	562.629004	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H+2Na"	46.985712
"1439885"	1687.914046	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H+HCOOH"	47.012746
"224475"	1668.92354	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+3H2O+2H"	56.04448
"1511085"	1701.96609	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+IsoProp+H"	61.06479
"410404"	1671.877488	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+Na+K"	61.952376
"772132"	2492.328138	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+Na+K"	61.952376
"1670649"	851.426838	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Na+K"	61.952376
"259357"	3345.818368	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+ACN+Na"	64.015768
"1234253"	1704.917068	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+ACN+Na"	64.015768
"1720956"	1704.940593	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+NH4+HCOOH"	64.039293
"1187403"	569.956318	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+3Na"	68.967654
"1656202"	1709.895988	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Na+HCOOH"	68.994688
"164521"	3358.72164	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+2K-H"	76.91904
"605905"	4999.62294	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+2K-H"	76.91904
"1091513"	1717.82034	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2K-H"	76.91904
"146139"	1679.864458	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"2M+2K"	77.926316
"582904"	2500.315108	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"3M+2K"	77.926316
"1076772"	859.413808	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2K"	77.926316
"1107793"	1719.834892	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2K+H"	78.933592
"1338710"	1719.922507	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+DMSO+H"	79.021207
"1009064"	1723.961676	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2ACN+H"	83.060376
"1526825"	1724.955308	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+IsoProp+Na+H"	84.054008
"991451"	862.484476	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+2ACN+2H"	84.067652
"1587290"	1725.869928	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+K+HCOOH"	84.968628
"1420731"	1755.901438	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+H+CF3COOH"	115.000138
"1147737"	882.997751	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+3ACN+2H"	125.094202
"1698018"	1772.927985	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+NH4+CF3COOH"	132.026685
"1635857"	1777.88338	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+Na+CF3COOH"	136.98208
"1571871"	1793.85732	"C20625"	"alpha-L-Fuc-(1-2)-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C83H138N2O26P2"	"1640.9013"	"M+K+CF3COOH"	152.95602
"814999"	1802.9541	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M"	0
"988783"	1783.93571	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-H2O-H"	-19.01839
"74951"	1200.962124	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M-3H"	-3.021828
"516704"	1801.946824	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M-3H"	-3.021828
"885759"	599.977424	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-3H"	-3.021828
"3242"	1801.946824	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M-2H"	-2.014552
"443895"	2703.423874	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M-2H"	-2.014552
"817686"	900.469774	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-2H"	-2.014552
"91903"	3604.900924	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M-H"	-1.007276
"531829"	5407.855024	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M-H"	-1.007276
"907443"	1801.946824	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-H"	-1.007276
"59632"	3621.927471	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M-2H+NH4"	16.019271
"496276"	5424.881571	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M-2H+NH4"	16.019271
"876992"	1818.973371	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-2H+NH4"	16.019271
"37601"	3626.882866	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M-2H+Na"	20.974666
"478254"	5429.836966	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M-2H+Na"	20.974666
"861533"	1823.928766	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-2H+Na"	20.974666
"1631429"	1823.928766	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Na-2H"	20.974666
"103219"	1819.935163	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M-H+Cl"	33.962126
"540592"	2721.412213	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M-H+Cl"	33.962126
"931918"	918.458113	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-H+Cl"	33.962126
"273757"	3640.877602	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+Cl"	34.969402
"662897"	5443.831702	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+Cl"	34.969402
"1280768"	1837.923502	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Cl"	34.969402
"24421"	3642.856806	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M-2H+K"	36.948606
"462886"	5445.810906	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M-2H+K"	36.948606
"836317"	1839.902706	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-2H+K"	36.948606
"1560897"	1839.902706	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+K-2H"	36.948606
"949875"	1847.952294	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-H+HCOOH"	44.998194
"365903"	3650.906401	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+HCOOH-H"	44.998201
"351245"	3664.922051	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+Hac-H"	59.013851
"1495702"	1861.967951	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Hac-H"	59.013851
"964337"	1869.934251	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-H+NaCOOH"	66.980151
"116161"	1837.923502	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+2Cl"	69.938804
"556815"	2739.400552	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+2Cl"	69.938804
"1023068"	936.446452	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2Cl"	69.938804
"1243374"	1881.872985	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Br"	78.918885
"1304806"	1883.928972	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Cl+HCOOH"	80.974872
"1322223"	1905.910929	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Cl+NaCOOH"	102.956829
"912551"	1915.939686	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M-H+CF3COOH"	112.985586
"1290718"	1951.916364	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Cl+CF3COOH"	148.962264
"1369975"	1767.941424	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H-2H2O"	-35.012676
"1389657"	1785.9514	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H-H2O"	-17.0027
"288251"	3606.915476	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+H"	1.007276
"678119"	5409.869576	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+H"	1.007276
"1359208"	1803.961376	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H"	1.007276
"128089"	1803.961376	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+2H"	2.014552
"571663"	2705.438426	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+2H"	2.014552
"1043745"	902.484326	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2H"	2.014552
"204599"	1202.976676	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+3H"	3.021828
"650118"	1803.961376	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+3H"	3.021828
"1163502"	601.991976	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+3H"	3.021828
"424586"	3623.942023	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+NH4"	18.033823
"785861"	5426.896123	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+NH4"	18.033823
"1683008"	1820.987923	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+NH4"	18.033823
"330923"	1812.4746495	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+H+NH4"	19.041099
"723584"	2713.9516995	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+H+NH4"	19.041099
"1477894"	910.9975995	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H+NH4"	19.041099
"392955"	3628.897418	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+Na"	22.989218
"754526"	5431.851518	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+Na"	22.989218
"1612236"	1825.943318	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Na"	22.989218
"320085"	1814.952347	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+H+Na"	23.996494
"711414"	2716.429397	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+H+Na"	23.996494
"1468512"	913.475297	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H+Na"	23.996494
"1060302"	609.31929	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2H+Na"	25.00377
"1259061"	1835.987586	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+CH3OH+H"	33.033486
"379823"	3644.871358	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+K"	38.963158
"740087"	5447.825458	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+K"	38.963158
"1541046"	1841.917258	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+K"	38.963158
"299315"	1822.939317	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+H+K"	39.970434
"692468"	2724.416367	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+H+K"	39.970434
"1446651"	921.462267	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H+K"	39.970434
"238169"	3647.942026	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+ACN+H"	42.033826
"1213064"	1844.987926	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+ACN+H"	42.033826
"1199145"	922.997601	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+ACN+2H"	43.041102
"199672"	3650.87936	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+2Na-H"	44.97116
"637046"	5453.83346	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+2Na-H"	44.97116
"1136176"	1847.92526	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2Na-H"	44.97116
"182747"	1825.943318	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+2Na"	45.978436
"621944"	2727.420368	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+2Na"	45.978436
"1125815"	924.466268	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2Na"	45.978436
"1411160"	616.646604	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H+2Na"	46.985712
"1440724"	1849.966846	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H+HCOOH"	47.012746
"224585"	1830.97634	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+3H2O+2H"	56.04448
"1514843"	1864.01889	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+IsoProp+H"	61.06479
"408935"	1833.930288	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+Na+K"	61.952376
"774429"	2735.407338	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+Na+K"	61.952376
"1670760"	932.453238	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Na+K"	61.952376
"256187"	3669.923968	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+ACN+Na"	64.015768
"1233270"	1866.969868	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+ACN+Na"	64.015768
"1722159"	1866.993393	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+NH4+HCOOH"	64.039293
"1190429"	623.973918	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+3Na"	68.967654
"1660686"	1871.948788	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Na+HCOOH"	68.994688
"164266"	3682.82724	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+2K-H"	76.91904
"607108"	5485.78134	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+2K-H"	76.91904
"1095997"	1879.87314	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2K-H"	76.91904
"145156"	1841.917258	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"2M+2K"	77.926316
"583623"	2743.394308	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"3M+2K"	77.926316
"1077975"	940.440208	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2K"	77.926316
"1107904"	1881.887692	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2K+H"	78.933592
"1339914"	1881.975307	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+DMSO+H"	79.021207
"1008446"	1886.014476	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2ACN+H"	83.060376
"1525478"	1887.008108	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+IsoProp+Na+H"	84.054008
"990590"	943.510876	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+2ACN+2H"	84.067652
"1587195"	1887.922728	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+K+HCOOH"	84.968628
"1418654"	1917.954238	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+H+CF3COOH"	115.000138
"1147069"	964.024151	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+3ACN+2H"	125.094202
"1698493"	1934.980785	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+NH4+CF3COOH"	132.026685
"1637425"	1939.93618	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+Na+CF3COOH"	136.98208
"1572345"	1955.91012	"C20626"	"alpha-D-Gal-(1-3)-(alpha-L-Fuc-(1-2))-beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-3)-alpha-D-GalNAc-diphospho-ditransoctacis-undecaprenol"	"C89H148N2O31P2"	"1802.9541"	"M+K+CF3COOH"	152.95602
"816445"	1037.681	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M"	0
"989378"	1018.66261	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-H2O-H"	-19.01839
"75061"	690.780057333333	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M-3H"	-3.021828
"518150"	1036.673724	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M-3H"	-3.021828
"885869"	344.886390666667	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-3H"	-3.021828
"4445"	1036.673724	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M-2H"	-2.014552
"444005"	1555.514224	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M-2H"	-2.014552
"818160"	517.833224	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-2H"	-2.014552
"90921"	2074.354724	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M-H"	-1.007276
"531210"	3112.035724	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M-H"	-1.007276
"906098"	1036.673724	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-H"	-1.007276
"58651"	2091.381271	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M-2H+NH4"	16.019271
"497115"	3129.062271	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M-2H+NH4"	16.019271
"875647"	1053.700271	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-2H+NH4"	16.019271
"38804"	2096.336666	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M-2H+Na"	20.974666
"473990"	3134.017666	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M-2H+Na"	20.974666
"860914"	1058.655666	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-2H+Na"	20.974666
"1631056"	1058.655666	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Na-2H"	20.974666
"105517"	1054.662063	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M-H+Cl"	33.962126
"543982"	1573.502563	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M-H+Cl"	33.962126
"932028"	535.821563	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-H+Cl"	33.962126
"273867"	2110.331402	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+Cl"	34.969402
"663007"	3148.012402	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+Cl"	34.969402
"1280878"	1072.650402	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Cl"	34.969402
"25625"	2112.310606	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M-2H+K"	36.948606
"461903"	3149.991606	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M-2H+K"	36.948606
"837521"	1074.629606	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-2H+K"	36.948606
"1559912"	1074.629606	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+K-2H"	36.948606
"952172"	1082.679194	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-H+HCOOH"	44.998194
"368200"	2120.360201	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+HCOOH-H"	44.998201
"353178"	2134.375851	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+Hac-H"	59.013851
"1496543"	1096.694851	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Hac-H"	59.013851
"966270"	1104.661151	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-H+NaCOOH"	66.980151
"118458"	1072.650402	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+2Cl"	69.938804
"555832"	1591.490902	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+2Cl"	69.938804
"1021721"	553.809902	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2Cl"	69.938804
"1242143"	1116.599885	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Br"	78.918885
"1304187"	1118.655872	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Cl+HCOOH"	80.974872
"1320875"	1140.637829	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Cl+NaCOOH"	102.956829
"915216"	1150.666586	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M-H+CF3COOH"	112.985586
"1289007"	1186.643264	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Cl+CF3COOH"	148.962264
"1371179"	1002.668324	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H-2H2O"	-35.012676
"1385757"	1020.6783	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H-H2O"	-17.0027
"289454"	2076.369276	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+H"	1.007276
"677500"	3114.050276	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+H"	1.007276
"1356037"	1038.688276	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H"	1.007276
"131113"	1038.688276	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+2H"	2.014552
"568490"	1557.528776	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+2H"	2.014552
"1043855"	519.847776	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2H"	2.014552
"205316"	692.794609333333	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+3H"	3.021828
"650227"	1038.688276	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+3H"	3.021828
"1163608"	346.900942666667	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+3H"	3.021828
"426156"	2093.395823	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+NH4"	18.033823
"786174"	3131.076823	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+NH4"	18.033823
"1682390"	1055.714823	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+NH4"	18.033823
"330139"	1047.2015495	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+H+NH4"	19.041099
"722894"	1566.0420495	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+H+NH4"	19.041099
"1478732"	528.3610495	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H+NH4"	19.041099
"393518"	2098.351218	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+Na"	22.989218
"754880"	3136.032218	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+Na"	22.989218
"1603098"	1060.670218	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Na"	22.989218
"314586"	1049.679247	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+H+Na"	23.996494
"711523"	1568.519747	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+H+Na"	23.996494
"1466436"	530.838747	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H+Na"	23.996494
"1056402"	354.228256666667	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2H+Na"	25.00377
"1257305"	1070.714486	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+CH3OH+H"	33.033486
"378107"	2114.325158	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+K"	38.963158
"739588"	3152.006158	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+K"	38.963158
"1540787"	1076.644158	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+K"	38.963158
"298891"	1057.666217	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+H+K"	39.970434
"692333"	1576.506717	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+H+K"	39.970434
"1445738"	538.825717	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H+K"	39.970434
"236821"	2117.395826	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+ACN+H"	42.033826
"1212444"	1079.714826	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+ACN+H"	42.033826
"1200348"	540.361051	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+ACN+2H"	43.041102
"197595"	2120.33316	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+2Na-H"	44.97116
"640436"	3158.01416	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+2Na-H"	44.97116
"1137379"	1082.65216	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2Na-H"	44.97116
"185043"	1060.670218	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+2Na"	45.978436
"620231"	1579.510718	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+2Na"	45.978436
"1123736"	541.829718	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2Na"	45.978436
"1410904"	361.555570666667	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H+2Na"	46.985712
"1437189"	1084.693746	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H+HCOOH"	47.012746
"224695"	1065.70324	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+3H2O+2H"	56.04448
"1511672"	1098.74579	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+IsoProp+H"	61.06479
"409413"	1068.657188	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+Na+K"	61.952376
"773446"	1587.497688	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+Na+K"	61.952376
"1670869"	549.816688	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Na+K"	61.952376
"258482"	2139.377768	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+ACN+Na"	64.015768
"1232287"	1101.696768	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+ACN+Na"	64.015768
"1722269"	1101.720293	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+NH4+HCOOH"	64.039293
"1190539"	368.882884666667	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+3Na"	68.967654
"1659702"	1106.675688	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Na+HCOOH"	68.994688
"164376"	2152.28104	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+2K-H"	76.91904
"603938"	3189.96204	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+2K-H"	76.91904
"1092827"	1114.60004	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2K-H"	76.91904
"147454"	1076.644158	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"2M+2K"	77.926316
"583734"	1595.484658	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"3M+2K"	77.926316
"1075899"	557.803658	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2K"	77.926316
"1106921"	1116.614592	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2K+H"	78.933592
"1337839"	1116.702207	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+DMSO+H"	79.021207
"1007828"	1120.741376	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2ACN+H"	83.060376
"1525587"	1121.735008	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+IsoProp+Na+H"	84.054008
"991304"	560.874326	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+2ACN+2H"	84.067652
"1587631"	1122.649628	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+K+HCOOH"	84.968628
"1419858"	1152.681138	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+H+CF3COOH"	115.000138
"1147165"	581.387601	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+3ACN+2H"	125.094202
"1697995"	1169.707685	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+NH4+CF3COOH"	132.026685
"1637535"	1174.66308	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+Na+CF3COOH"	136.98208
"1572091"	1190.63702	"C20627"	"CDP-23-bis-(O-phytanyl)-sn-glycerol"	"C52H101N3O13P2"	"1037.681"	"M+K+CF3COOH"	152.95602
"816864"	819.6717	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M"	0
"989324"	800.65331	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-H2O-H"	-19.01839
"72984"	545.440524	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M-3H"	-3.021828
"517813"	818.664424	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M-3H"	-3.021828
"889259"	272.216624	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-3H"	-3.021828
"10022"	818.664424	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M-2H"	-2.014552
"446302"	1228.500274	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M-2H"	-2.014552
"824101"	408.828574	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-2H"	-2.014552
"86285"	1638.336124	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M-H"	-1.007276
"532049"	2458.007824	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M-H"	-1.007276
"907303"	818.664424	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-H"	-1.007276
"60219"	1655.362671	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M-2H+NH4"	16.019271
"498321"	2475.034371	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M-2H+NH4"	16.019271
"876121"	835.690971	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-2H+NH4"	16.019271
"45846"	1660.318066	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M-2H+Na"	20.974666
"479567"	2479.989766	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M-2H+Na"	20.974666
"861386"	840.646366	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-2H+Na"	20.974666
"1631647"	840.646366	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Na-2H"	20.974666
"107086"	836.652763	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M-H+Cl"	33.962126
"547372"	1246.488613	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M-H+Cl"	33.962126
"934325"	426.816913	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-H+Cl"	33.962126
"275070"	1674.312802	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+Cl"	34.969402
"666397"	2493.984502	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+Cl"	34.969402
"1280988"	854.641102	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Cl"	34.969402
"25735"	1676.292006	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M-2H+K"	36.948606
"460921"	2495.963706	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M-2H+K"	36.948606
"836537"	856.620306	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-2H+K"	36.948606
"1563304"	856.620306	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+K-2H"	36.948606
"947906"	864.669894	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-H+HCOOH"	44.998194
"367581"	1684.341601	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+HCOOH-H"	44.998201
"351100"	1698.357251	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+Hac-H"	59.013851
"1498110"	878.685551	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Hac-H"	59.013851
"965287"	886.651851	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-H+NaCOOH"	66.980151
"117473"	854.641102	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+2Cl"	69.938804
"555213"	1264.476952	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+2Cl"	69.938804
"1026934"	444.805252	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2Cl"	69.938804
"1243960"	898.590585	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Br"	78.918885
"1309326"	900.646572	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Cl+HCOOH"	80.974872
"1321351"	922.628529	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Cl+NaCOOH"	102.956829
"913136"	932.657286	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M-H+CF3COOH"	112.985586
"1291668"	968.633964	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Cl+CF3COOH"	148.962264
"1372383"	784.659024	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H-2H2O"	-35.012676
"1385866"	802.669	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H-H2O"	-17.0027
"285551"	1640.350676	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+H"	1.007276
"678336"	2460.022376	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+H"	1.007276
"1356147"	820.678976	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H"	1.007276
"128671"	820.678976	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+2H"	2.014552
"571880"	1230.514826	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+2H"	2.014552
"1042873"	410.843126	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2H"	2.014552
"211869"	547.455076	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+3H"	3.021828
"649244"	820.678976	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+3H"	3.021828
"1167365"	274.231176	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+3H"	3.021828
"427359"	1657.377223	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+NH4"	18.033823
"788353"	2477.048923	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+NH4"	18.033823
"1684686"	837.705523	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+NH4"	18.033823
"335152"	829.1922495	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+H+NH4"	19.041099
"725384"	1239.0280995	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+H+NH4"	19.041099
"1480300"	419.3563995	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H+NH4"	19.041099
"393304"	1662.332618	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+Na"	22.989218
"755114"	2482.004318	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+Na"	22.989218
"1603329"	842.660918	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Na"	22.989218
"314499"	831.669947	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+H+Na"	23.996494
"713822"	1241.505797	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+H+Na"	23.996494
"1468735"	421.834097	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H+Na"	23.996494
"1060885"	281.55849	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2H+Na"	25.00377
"1263656"	852.705186	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+CH3OH+H"	33.033486
"383323"	1678.306558	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+K"	38.963158
"739946"	2497.978258	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+K"	38.963158
"1540905"	858.634858	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+K"	38.963158
"299901"	839.656917	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+H+K"	39.970434
"693780"	1249.492767	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+H+K"	39.970434
"1446869"	429.821067	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H+K"	39.970434
"236563"	1681.377226	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+ACN+H"	42.033826
"1213648"	861.705526	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+ACN+H"	42.033826
"1201551"	431.356401	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+ACN+2H"	43.041102
"194424"	1684.31456	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+2Na-H"	44.97116
"637265"	2503.98626	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+2Na-H"	44.97116
"1141863"	864.64286	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2Na-H"	44.97116
"180779"	842.660918	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+2Na"	45.978436
"622527"	1252.496768	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+2Na"	45.978436
"1124938"	432.825068	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2Na"	45.978436
"1405181"	288.885804	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H+2Na"	46.985712
"1441672"	866.684446	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H+HCOOH"	47.012746
"225898"	847.69394	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+3H2O+2H"	56.04448
"1521261"	880.73649	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+IsoProp+H"	61.06479
"415844"	850.647888	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+Na+K"	61.952376
"779025"	1260.483738	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+Na+K"	61.952376
"1674262"	440.812038	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Na+K"	61.952376
"260780"	1703.359168	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+ACN+Na"	64.015768
"1233489"	883.687468	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+ACN+Na"	64.015768
"1727482"	883.710993	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+NH4+HCOOH"	64.039293
"1188826"	296.213118	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+3Na"	68.967654
"1659812"	888.666388	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Na+HCOOH"	68.994688
"163392"	1716.26244	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+2K-H"	76.91904
"606234"	2535.93414	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+2K-H"	76.91904
"1097308"	896.59074	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2K-H"	76.91904
"149750"	858.634858	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"2M+2K"	77.926316
"589311"	1268.470708	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"3M+2K"	77.926316
"1074915"	448.799008	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2K"	77.926316
"1105937"	898.605292	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2K+H"	78.933592
"1341230"	898.692907	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+DMSO+H"	79.021207
"1011948"	902.732076	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2ACN+H"	83.060376
"1525456"	903.725708	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+IsoProp+Na+H"	84.054008
"993242"	451.869676	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+2ACN+2H"	84.067652
"1587864"	904.640328	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+K+HCOOH"	84.968628
"1418874"	934.671838	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+H+CF3COOH"	115.000138
"1149162"	472.382951	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+3ACN+2H"	125.094202
"1697212"	951.698385	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+NH4+CF3COOH"	132.026685
"1637645"	956.65378	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+Na+CF3COOH"	136.98208
"1572567"	972.62772	"C20628"	"23-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine"	"C46H94NO8P"	"819.6717"	"M+K+CF3COOH"	152.95602
"814600"	381.1212	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M"	0
"988864"	362.10281	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-H2O-H"	-19.01839
"73094"	253.073524	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M-3H"	-3.021828
"515936"	380.113924	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M-3H"	-3.021828
"888276"	126.033124	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-3H"	-3.021828
"5758"	380.113924	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M-2H"	-2.014552
"447504"	570.674524	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M-2H"	-2.014552
"823118"	189.553324	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-2H"	-2.014552
"84208"	761.235124	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M-H"	-1.007276
"522674"	1142.356324	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M-H"	-1.007276
"898285"	380.113924	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-H"	-1.007276
"59964"	778.261671	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M-2H+NH4"	16.019271
"498788"	1159.382871	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M-2H+NH4"	16.019271
"876593"	397.140471	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-2H+NH4"	16.019271
"45952"	783.217066	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M-2H+Na"	20.974666
"478583"	1164.338266	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M-2H+Na"	20.974666
"862230"	402.095866	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-2H+Na"	20.974666
"1632367"	402.095866	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Na-2H"	20.974666
"108169"	398.102263	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M-H+Cl"	33.962126
"547482"	588.662863	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M-H+Cl"	33.962126
"937715"	207.541663	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-H+Cl"	33.962126
"275180"	797.211802	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+Cl"	34.969402
"665414"	1178.333002	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+Cl"	34.969402
"1283285"	416.090602	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Cl"	34.969402
"22565"	799.191006	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M-2H+K"	36.948606
"464310"	1180.312206	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M-2H+K"	36.948606
"841021"	418.069806	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-2H+K"	36.948606
"1562321"	418.069806	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+K-2H"	36.948606
"949111"	426.119394	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-H+HCOOH"	44.998194
"366598"	807.240601	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+HCOOH-H"	44.998201
"350481"	821.256251	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+Hac-H"	59.013851
"1498220"	440.135051	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Hac-H"	59.013851
"965398"	448.101351	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-H+NaCOOH"	66.980151
"117584"	416.090602	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+2Cl"	69.938804
"554960"	606.651202	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+2Cl"	69.938804
"1030326"	225.530002	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2Cl"	69.938804
"1246987"	460.040085	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Br"	78.918885
"1311623"	462.096072	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Cl+HCOOH"	80.974872
"1322557"	484.078029	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Cl+NaCOOH"	102.956829
"914707"	494.106786	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M-H+CF3COOH"	112.985586
"1293239"	530.083464	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Cl+CF3COOH"	148.962264
"1371400"	346.108524	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H-2H2O"	-35.012676
"1386341"	364.1185	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H-H2O"	-17.0027
"286393"	763.249676	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+H"	1.007276
"677719"	1144.370876	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+H"	1.007276
"1356257"	382.128476	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H"	1.007276
"127325"	382.128476	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+2H"	2.014552
"568711"	572.689076	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+2H"	2.014552
"1042982"	191.567876	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2H"	2.014552
"214167"	255.088076	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+3H"	3.021828
"648261"	382.128476	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+3H"	3.021828
"1166383"	128.047676	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+3H"	3.021828
"427469"	780.276223	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+NH4"	18.033823
"788464"	1161.397423	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+NH4"	18.033823
"1683703"	399.155023	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+NH4"	18.033823
"333439"	390.6417495	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+H+NH4"	19.041099
"726224"	581.2023495	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+H+NH4"	19.041099
"1479317"	200.0811495	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H+NH4"	19.041099
"393497"	785.231618	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+Na"	22.989218
"755225"	1166.352818	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+Na"	22.989218
"1604901"	404.110418	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Na"	22.989218
"316035"	393.119447	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+H+Na"	23.996494
"711744"	583.680047	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+H+Na"	23.996494
"1468843"	202.558847	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H+Na"	23.996494
"1060995"	135.37499	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2H+Na"	25.00377
"1268141"	414.154686	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+CH3OH+H"	33.033486
"384527"	801.205558	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+K"	38.963158
"741150"	1182.326758	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+K"	38.963158
"1547576"	420.084358	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+K"	38.963158
"302564"	401.106417	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+H+K"	39.970434
"693160"	591.667017	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+H+K"	39.970434
"1447708"	210.545817	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H+K"	39.970434
"237768"	804.276226	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+ACN+H"	42.033826
"1212662"	423.155026	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+ACN+H"	42.033826
"1198382"	212.081151	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+ACN+2H"	43.041102
"196721"	807.21356	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+2Na-H"	44.97116
"636282"	1188.33476	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+2Na-H"	44.97116
"1138694"	426.09236	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2Na-H"	44.97116
"180890"	404.110418	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+2Na"	45.978436
"621543"	594.671018	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+2Na"	45.978436
"1125048"	213.549818	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2Na"	45.978436
"1403104"	142.702304	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H+2Na"	46.985712
"1441782"	428.133946	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H+HCOOH"	47.012746
"224915"	409.14344	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+3H2O+2H"	56.04448
"1518455"	442.18599	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+IsoProp+H"	61.06479
"415954"	412.097388	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+Na+K"	61.952376
"779135"	602.657988	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+Na+K"	61.952376
"1673279"	221.536788	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Na+K"	61.952376
"257610"	826.258168	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+ACN+Na"	64.015768
"1231412"	445.136968	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+ACN+Na"	64.015768
"1721395"	445.160493	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+NH4+HCOOH"	64.039293
"1187843"	150.029618	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+3Na"	68.967654
"1657735"	450.115888	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Na+HCOOH"	68.994688
"161315"	839.16144	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+2K-H"	76.91904
"606344"	1220.28264	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+2K-H"	76.91904
"1095231"	458.04024	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2K-H"	76.91904
"147673"	420.084358	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"2M+2K"	77.926316
"587234"	610.644958	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"3M+2K"	77.926316
"1071376"	229.523758	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2K"	77.926316
"1103859"	460.054792	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2K+H"	78.933592
"1339516"	460.142407	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+DMSO+H"	79.021207
"1010965"	464.181576	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2ACN+H"	83.060376
"1526174"	465.175208	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+IsoProp+Na+H"	84.054008
"992256"	232.594426	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+2ACN+2H"	84.067652
"1588337"	466.089828	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+K+HCOOH"	84.968628
"1417891"	496.121338	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+H+CF3COOH"	115.000138
"1148179"	253.107701	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+3ACN+2H"	125.094202
"1697850"	513.147885	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+NH4+CF3COOH"	132.026685
"1638849"	518.10328	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+Na+CF3COOH"	136.98208
"1571948"	534.07722	"C20629"	"8-Demethylnovobiocic acid"	"C21H19NO6"	"381.1212"	"M+K+CF3COOH"	152.95602
"814710"	479.242	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M"	0
"987152"	460.22361	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-H2O-H"	-19.01839
"73204"	318.487390666667	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M-3H"	-3.021828
"513860"	478.234724	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M-3H"	-3.021828
"889479"	158.740057333333	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-3H"	-3.021828
"2587"	478.234724	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M-2H"	-2.014552
"447613"	717.855724	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M-2H"	-2.014552
"823228"	238.613724	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-2H"	-2.014552
"86505"	957.476724	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M-H"	-1.007276
"522784"	1436.718724	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M-H"	-1.007276
"897666"	478.234724	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-H"	-1.007276
"57154"	974.503271	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M-2H+NH4"	16.019271
"498898"	1453.745271	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M-2H+NH4"	16.019271
"876700"	495.261271	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-2H+NH4"	16.019271
"44602"	979.458666	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M-2H+Na"	20.974666
"475413"	1458.700666	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M-2H+Na"	20.974666
"861970"	500.216666	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-2H+Na"	20.974666
"1632595"	500.216666	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Na-2H"	20.974666
"106941"	496.223063	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M-H+Cl"	33.962126
"544312"	735.844063	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M-H+Cl"	33.962126
"934545"	256.602063	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-H+Cl"	33.962126
"277477"	993.453402	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+Cl"	34.969402
"665524"	1472.695402	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+Cl"	34.969402
"1284488"	514.211402	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Cl"	34.969402
"22675"	995.432606	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M-2H+K"	36.948606
"461140"	1474.674606	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M-2H+K"	36.948606
"838944"	516.190606	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-2H+K"	36.948606
"1561337"	516.190606	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+K-2H"	36.948606
"947034"	524.240194	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-H+HCOOH"	44.998194
"365615"	1003.482201	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+HCOOH-H"	44.998201
"349495"	1017.497851	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+Hac-H"	59.013851
"1497963"	538.255851	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Hac-H"	59.013851
"964049"	546.222151	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-H+NaCOOH"	66.980151
"117694"	514.211402	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+2Cl"	69.938804
"558348"	753.832402	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+2Cl"	69.938804
"1026426"	274.590402	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2Cl"	69.938804
"1246734"	558.160885	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Br"	78.918885
"1306994"	560.216872	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Cl+HCOOH"	80.974872
"1321571"	582.198829	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Cl+NaCOOH"	102.956829
"914451"	592.227586	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M-H+CF3COOH"	112.985586
"1291889"	628.204264	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Cl+CF3COOH"	148.962264
"1369319"	444.229324	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H-2H2O"	-35.012676
"1385721"	462.2393	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H-H2O"	-17.0027
"285042"	959.491276	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+H"	1.007276
"677828"	1438.733276	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+H"	1.007276
"1354543"	480.249276	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H"	1.007276
"128162"	480.249276	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+2H"	2.014552
"568452"	719.870276	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+2H"	2.014552
"1043092"	240.628276	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2H"	2.014552
"209902"	320.501942666667	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+3H"	3.021828
"649465"	480.249276	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+3H"	3.021828
"1168681"	160.754609333333	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+3H"	3.021828
"428674"	976.517823	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+NH4"	18.033823
"788576"	1455.759823	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+NH4"	18.033823
"1683084"	497.275823	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+NH4"	18.033823
"333186"	488.7625495	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+H+NH4"	19.041099
"725240"	728.3835495	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+H+NH4"	19.041099
"1480884"	249.1415495	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H+NH4"	19.041099
"394216"	981.473218	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+Na"	22.989218
"755822"	1460.715218	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+Na"	22.989218
"1603551"	502.231218	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Na"	22.989218
"316145"	491.240247	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+H+Na"	23.996494
"709668"	730.861247	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+H+Na"	23.996494
"1464580"	251.619247	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H+Na"	23.996494
"1056732"	168.081923333333	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2H+Na"	25.00377
"1266065"	512.275486	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+CH3OH+H"	33.033486
"380264"	997.447158	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+K"	38.963158
"741624"	1476.689158	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+K"	38.963158
"1542218"	518.205158	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+K"	38.963158
"300484"	499.227217	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+H+K"	39.970434
"692541"	738.848217	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+H+K"	39.970434
"1446479"	259.606217	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H+K"	39.970434
"237514"	1000.517826	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+ACN+H"	42.033826
"1213501"	521.275826	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+ACN+H"	42.033826
"1198492"	261.141551	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+ACN+2H"	43.041102
"196832"	1003.45516	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+2Na-H"	44.97116
"637485"	1482.69716	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+2Na-H"	44.97116
"1138804"	524.21316	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2Na-H"	44.97116
"182093"	502.231218	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+2Na"	45.978436
"621653"	741.852218	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+2Na"	45.978436
"1125158"	262.610218	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2Na"	45.978436
"1402121"	175.409237333333	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H+2Na"	46.985712
"1441892"	526.254746	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H+HCOOH"	47.012746
"225025"	507.26424	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+3H2O+2H"	56.04448
"1518563"	540.30679	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+IsoProp+H"	61.06479
"419345"	510.218188	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+Na+K"	61.952376
"781434"	749.839188	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+Na+K"	61.952376
"1674482"	270.597188	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Na+K"	61.952376
"258813"	1022.499768	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+ACN+Na"	64.015768
"1230429"	543.257768	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+ACN+Na"	64.015768
"1721505"	543.281293	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+NH4+HCOOH"	64.039293
"1184673"	182.736551333333	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+3Na"	68.967654
"1654565"	548.236688	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Na+HCOOH"	68.994688
"162517"	1035.40304	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+2K-H"	76.91904
"604267"	1514.64504	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+2K-H"	76.91904
"1095342"	556.16104	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2K-H"	76.91904
"149970"	518.205158	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"2M+2K"	77.926316
"587344"	757.826158	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"3M+2K"	77.926316
"1074038"	278.584158	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2K"	77.926316
"1106156"	558.175592	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2K+H"	78.933592
"1339626"	558.263207	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+DMSO+H"	79.021207
"1011075"	562.302376	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2ACN+H"	83.060376
"1527740"	563.296008	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+IsoProp+Na+H"	84.054008
"993094"	281.654826	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+2ACN+2H"	84.067652
"1588693"	564.210628	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+K+HCOOH"	84.968628
"1418001"	594.242138	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+H+CF3COOH"	115.000138
"1147315"	302.168101	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+3ACN+2H"	125.094202
"1697232"	611.268685	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+NH4+CF3COOH"	132.026685
"1636773"	616.22408	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+Na+CF3COOH"	136.98208
"1572422"	632.19802	"C20630"	"Fumitremorgin B"	"C27H33N3O5"	"479.242"	"M+K+CF3COOH"	152.95602
"815916"	148.0484	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M"	0
"986169"	129.03001	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-H2O-H"	-19.01839
"73314"	97.6916573333333	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M-3H"	-3.021828
"513970"	147.041124	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M-3H"	-3.021828
"890682"	48.3421906666667	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-3H"	-3.021828
"8164"	147.041124	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M-2H"	-2.014552
"447723"	221.065324	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M-2H"	-2.014552
"826618"	73.016924	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-2H"	-2.014552
"87708"	295.089524	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M-H"	-1.007276
"522894"	443.137924	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M-H"	-1.007276
"897415"	147.041124	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-H"	-1.007276
"57263"	312.116071	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M-2H+NH4"	16.019271
"499008"	460.164471	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M-2H+NH4"	16.019271
"874623"	164.067671	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-2H+NH4"	16.019271
"38150"	317.071466	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M-2H+Na"	20.974666
"482084"	465.119866	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M-2H+Na"	20.974666
"860987"	169.023066	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-2H+Na"	20.974666
"1630518"	169.023066	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Na-2H"	20.974666
"105958"	165.029463	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M-H+Cl"	33.962126
"544422"	239.053663	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M-H+Cl"	33.962126
"934655"	91.005263	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-H+Cl"	33.962126
"276494"	331.066202	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+Cl"	34.969402
"663447"	479.114602	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+Cl"	34.969402
"1284598"	183.017802	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Cl"	34.969402
"20233"	333.045406	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M-2H+K"	36.948606
"460156"	481.093806	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M-2H+K"	36.948606
"836501"	184.997006	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-2H+K"	36.948606
"1560716"	184.997006	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+K-2H"	36.948606
"946049"	193.046594	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-H+HCOOH"	44.998194
"366089"	341.095001	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+HCOOH-H"	44.998201
"349972"	355.110651	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+Hac-H"	59.013851
"1497711"	207.062251	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Hac-H"	59.013851
"963430"	215.028551	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-H+NaCOOH"	66.980151
"115616"	183.017802	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+2Cl"	69.938804
"556635"	257.042002	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+2Cl"	69.938804
"1024711"	108.993602	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2Cl"	69.938804
"1248300"	226.967285	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Br"	78.918885
"1307468"	229.023272	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Cl+HCOOH"	80.974872
"1322775"	251.005229	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Cl+NaCOOH"	102.956829
"914925"	261.033986	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M-H+CF3COOH"	112.985586
"1290538"	297.010664	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Cl+CF3COOH"	148.962264
"1369065"	113.035724	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H-2H2O"	-35.012676
"1383440"	131.0457	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H-H2O"	-17.0027
"283327"	297.104076	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+H"	1.007276
"680491"	445.152476	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+H"	1.007276
"1353560"	149.055676	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H"	1.007276
"129731"	149.055676	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+2H"	2.014552
"567468"	223.079876	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+2H"	2.014552
"1043202"	75.031476	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2H"	2.014552
"213292"	99.7062093333333	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+3H"	3.021828
"649575"	149.055676	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+3H"	3.021828
"1165511"	50.3567426666667	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+3H"	3.021828
"427690"	314.130623	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+NH4"	18.033823
"788686"	462.179023	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+NH4"	18.033823
"1683923"	166.082223	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+NH4"	18.033823
"334390"	157.5689495	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+H+NH4"	19.041099
"726811"	231.5931495	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+H+NH4"	19.041099
"1480630"	83.5447495	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H+NH4"	19.041099
"393030"	319.086018	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+Na"	22.989218
"754270"	467.134418	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+Na"	22.989218
"1603298"	171.037618	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Na"	22.989218
"316620"	160.046647	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+H+Na"	23.996494
"713057"	234.070847	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+H+Na"	23.996494
"1467970"	86.022447	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H+Na"	23.996494
"1063403"	57.6840566666667	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2H+Na"	25.00377
"1263987"	181.081886	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+CH3OH+H"	33.033486
"382561"	335.059958	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+K"	38.963158
"738938"	483.108358	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+K"	38.963158
"1540056"	187.011558	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+K"	38.963158
"298973"	168.033617	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+H+K"	39.970434
"691555"	242.057817	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+H+K"	39.970434
"1448654"	94.009417	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H+K"	39.970434
"238352"	338.130626	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+ACN+H"	42.033826
"1213977"	190.082226	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+ACN+H"	42.033826
"1200788"	95.544751	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+ACN+2H"	43.041102
"193661"	341.06796	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+2Na-H"	44.97116
"633221"	489.11636	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+2Na-H"	44.97116
"1140007"	193.01956	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2Na-H"	44.97116
"181110"	171.037618	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+2Na"	45.978436
"621763"	245.061818	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+2Na"	45.978436
"1118708"	97.013418	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2Na"	45.978436
"1400044"	65.0113706666667	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H+2Na"	46.985712
"1439815"	195.061146	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H+HCOOH"	47.012746
"227323"	176.07064	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+3H2O+2H"	56.04448
"1523411"	209.11319	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+IsoProp+H"	61.06479
"419455"	179.024588	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+Na+K"	61.952376
"781544"	253.048788	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+Na+K"	61.952376
"1674591"	105.000388	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Na+K"	61.952376
"261111"	360.112568	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+ACN+Na"	64.015768
"1231633"	212.064168	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+ACN+Na"	64.015768
"1722706"	212.087693	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+NH4+HCOOH"	64.039293
"1183689"	72.3386846666667	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+3Na"	68.967654
"1655768"	217.043088	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Na+HCOOH"	68.994688
"161534"	373.01584	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+2K-H"	76.91904
"609845"	521.06424	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+2K-H"	76.91904
"1097274"	224.96744	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2K-H"	76.91904
"151174"	187.011558	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"2M+2K"	77.926316
"588548"	261.035758	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"3M+2K"	77.926316
"1076335"	112.987358	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2K"	77.926316
"1107359"	226.981992	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2K+H"	78.933592
"1340465"	227.069607	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+DMSO+H"	79.021207
"1010092"	231.108776	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2ACN+H"	83.060376
"1526395"	232.102408	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+IsoProp+Na+H"	84.054008
"993571"	116.058026	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+2ACN+2H"	84.067652
"1588560"	233.017028	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+K+HCOOH"	84.968628
"1414827"	263.048538	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+H+CF3COOH"	115.000138
"1147182"	136.571301	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+3ACN+2H"	125.094202
"1699045"	280.075085	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+NH4+CF3COOH"	132.026685
"1636883"	285.03048	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+Na+CF3COOH"	136.98208
"1571682"	301.00442	"C20631"	"(2S3S)-3-Hydroxyasparagine"	"C4H8N2O4"	"148.0484"	"M+K+CF3COOH"	152.95602
"814566"	330.1831	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M"	0
"984089"	311.16471	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-H2O-H"	-19.01839
"71237"	219.114790666667	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M-3H"	-3.021828
"512988"	329.175824	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M-3H"	-3.021828
"890792"	109.053757333333	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-3H"	-3.021828
"9369"	329.175824	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M-2H"	-2.014552
"452208"	494.267374	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M-2H"	-2.014552
"827822"	164.084274	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-2H"	-2.014552
"87818"	659.358924	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M-H"	-1.007276
"521911"	989.542024	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M-H"	-1.007276
"897525"	329.175824	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-H"	-1.007276
"57373"	676.385471	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M-2H+NH4"	16.019271
"499118"	1006.568571	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M-2H+NH4"	16.019271
"874733"	346.202371	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-2H+NH4"	16.019271
"38260"	681.340866	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M-2H+Na"	20.974666
"482194"	1011.523966	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M-2H+Na"	20.974666
"861826"	351.157766	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-2H+Na"	20.974666
"1628442"	351.157766	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Na-2H"	20.974666
"105341"	347.164163	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M-H+Cl"	33.962126
"541255"	512.255713	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M-H+Cl"	33.962126
"930391"	182.072613	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-H+Cl"	33.962126
"276604"	695.335602	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+Cl"	34.969402
"665744"	1025.518702	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+Cl"	34.969402
"1278148"	365.152502	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Cl"	34.969402
"20343"	697.314806	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M-2H+K"	36.948606
"460630"	1027.497906	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M-2H+K"	36.948606
"835882"	367.131706	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-2H+K"	36.948606
"1559733"	367.131706	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+K-2H"	36.948606
"947253"	375.181294	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-H+HCOOH"	44.998194
"366565"	705.364401	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+HCOOH-H"	44.998201
"348987"	719.380051	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+Hac-H"	59.013851
"1497821"	389.196951	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Hac-H"	59.013851
"962446"	397.163251	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-H+NaCOOH"	66.980151
"116820"	365.152502	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+2Cl"	69.938804
"556745"	530.244052	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+2Cl"	69.938804
"1027735"	200.060952	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2Cl"	69.938804
"1244763"	409.101985	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Br"	78.918885
"1306485"	411.157972	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Cl+HCOOH"	80.974872
"1320330"	433.139929	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Cl+NaCOOH"	102.956829
"913217"	443.168686	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M-H+CF3COOH"	112.985586
"1292838"	479.145364	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Cl+CF3COOH"	148.962264
"1368812"	295.170424	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H-2H2O"	-35.012676
"1386308"	313.1804	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H-H2O"	-17.0027
"285263"	661.373476	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+H"	1.007276
"676954"	991.556576	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+H"	1.007276
"1353670"	331.190376	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H"	1.007276
"128748"	331.190376	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+2H"	2.014552
"568308"	496.281926	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+2H"	2.014552
"1045499"	166.098826	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2H"	2.014552
"213402"	221.129342666667	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+3H"	3.021828
"651872"	331.190376	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+3H"	3.021828
"1165623"	111.068309333333	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+3H"	3.021828
"425615"	678.400023	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+NH4"	18.033823
"789890"	1008.583123	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+NH4"	18.033823
"1689499"	348.216923	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+NH4"	18.033823
"335594"	339.7036495	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+H+NH4"	19.041099
"728014"	504.7951995	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+H+NH4"	19.041099
"1482928"	174.6120995	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H+NH4"	19.041099
"395048"	683.355418	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+Na"	22.989218
"758230"	1013.538518	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+Na"	22.989218
"1610700"	353.172318	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Na"	22.989218
"318916"	342.181347	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+H+Na"	23.996494
"713167"	507.272897	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+H+Na"	23.996494
"1465528"	177.089797	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H+Na"	23.996494
"1058773"	118.395623333333	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2H+Na"	25.00377
"1259358"	363.216586	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+CH3OH+H"	33.033486
"381942"	699.329358	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+K"	38.963158
"740021"	1029.512458	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+K"	38.963158
"1540614"	369.146258	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+K"	38.963158
"299975"	350.168317	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+H+K"	39.970434
"693488"	515.259867	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+H+K"	39.970434
"1447308"	185.076767	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H+K"	39.970434
"237733"	702.400026	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+ACN+H"	42.033826
"1214814"	372.216926	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+ACN+H"	42.033826
"1201991"	186.612101	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+ACN+2H"	43.041102
"190855"	705.33736	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+2Na-H"	44.97116
"635519"	1035.52046	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+2Na-H"	44.97116
"1139025"	375.15426	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2Na-H"	44.97116
"180127"	353.172318	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+2Na"	45.978436
"617500"	518.263868	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+2Na"	45.978436
"1121005"	188.080768	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2Na"	45.978436
"1398613"	125.722937333333	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H+2Na"	46.985712
"1438832"	377.195846	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H+HCOOH"	47.012746
"227433"	358.20534	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+3H2O+2H"	56.04448
"1516594"	391.24789	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+IsoProp+H"	61.06479
"415186"	361.159288	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+Na+K"	61.952376
"778368"	526.250838	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+Na+K"	61.952376
"1672512"	196.067738	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Na+K"	61.952376
"261221"	724.381968	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+ACN+Na"	64.015768
"1233929"	394.198868	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+ACN+Na"	64.015768
"1720629"	394.222393	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+NH4+HCOOH"	64.039293
"1188174"	133.050251333333	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+3Na"	68.967654
"1653692"	399.177788	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Na+HCOOH"	68.994688
"159820"	737.28524	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+2K-H"	76.91904
"611048"	1067.46834	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+2K-H"	76.91904
"1094468"	407.10214	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2K-H"	76.91904
"153472"	369.146258	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"2M+2K"	77.926316
"588659"	534.237808	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"3M+2K"	77.926316
"1075355"	204.054708	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2K"	77.926316
"1107470"	409.116692	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2K+H"	78.933592
"1341668"	409.204307	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+DMSO+H"	79.021207
"1010201"	413.243476	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2ACN+H"	83.060376
"1529419"	414.237108	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+IsoProp+Na+H"	84.054008
"994772"	207.125376	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+2ACN+2H"	84.067652
"1591468"	415.151728	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+K+HCOOH"	84.968628
"1414940"	445.183238	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+H+CF3COOH"	115.000138
"1147128"	227.638651	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+3ACN+2H"	125.094202
"1700248"	462.209785	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+NH4+CF3COOH"	132.026685
"1635899"	467.16518	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+Na+CF3COOH"	136.98208
"1571671"	483.13912	"C20632"	"Methyl gibberellin A9"	"C20H26O4"	"330.1831"	"M+K+CF3COOH"	152.95602
"815040"	346.178	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M"	0
"984199"	327.15961	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-H2O-H"	-19.01839
"71347"	229.778057333333	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M-3H"	-3.021828
"510911"	345.170724	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M-3H"	-3.021828
"888710"	114.385390666667	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-3H"	-3.021828
"10573"	345.170724	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M-2H"	-2.014552
"452318"	518.259724	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M-2H"	-2.014552
"830119"	172.081724	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-2H"	-2.014552
"87927"	691.348724	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M-H"	-1.007276
"523112"	1037.526724	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M-H"	-1.007276
"897635"	345.170724	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-H"	-1.007276
"55297"	708.375271	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M-2H+NH4"	16.019271
"498864"	1054.553271	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M-2H+NH4"	16.019271
"873750"	362.197271	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-2H+NH4"	16.019271
"38370"	713.330666	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M-2H+Na"	20.974666
"482304"	1059.508666	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M-2H+Na"	20.974666
"858660"	367.152666	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-2H+Na"	20.974666
"1628553"	367.152666	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Na-2H"	20.974666
"102536"	363.159063	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M-H+Cl"	33.962126
"540271"	536.248063	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M-H+Cl"	33.962126
"937428"	190.070063	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-H+Cl"	33.962126
"273432"	727.325402	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+Cl"	34.969402
"670227"	1073.503402	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+Cl"	34.969402
"1278258"	381.147402	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Cl"	34.969402
"21911"	729.304606	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M-2H+K"	36.948606
"460741"	1075.482606	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M-2H+K"	36.948606
"840366"	383.126606	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-2H+K"	36.948606
"1561301"	383.126606	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+K-2H"	36.948606
"948456"	391.176194	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-H+HCOOH"	44.998194
"368863"	737.354201	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+HCOOH-H"	44.998201
"351286"	751.369851	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+Hac-H"	59.013851
"1499025"	405.191851	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Hac-H"	59.013851
"964379"	413.158151	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-H+NaCOOH"	66.980151
"119481"	381.147402	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+2Cl"	69.938804
"556855"	554.236402	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+2Cl"	69.938804
"1029669"	208.058402	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2Cl"	69.938804
"1245237"	425.096885	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Br"	78.918885
"1306595"	427.152872	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Cl+HCOOH"	80.974872
"1320805"	449.134829	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Cl+NaCOOH"	102.956829
"914419"	459.163586	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M-H+CF3COOH"	112.985586
"1289014"	495.140264	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Cl+CF3COOH"	148.962264
"1372203"	311.165324	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H-2H2O"	-35.012676
"1385323"	329.1753	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H-H2O"	-17.0027
"283669"	693.363276	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+H"	1.007276
"676334"	1039.541276	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+H"	1.007276
"1352319"	347.185276	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H"	1.007276
"126668"	347.185276	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+2H"	2.014552
"567325"	520.274276	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+2H"	2.014552
"1043421"	174.096276	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2H"	2.014552
"216793"	231.792609333333	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+3H"	3.021828
"648700"	347.185276	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+3H"	3.021828
"1170103"	116.399942666667	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+3H"	3.021828
"433377"	710.389823	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+NH4"	18.033823
"791092"	1056.567823	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+NH4"	18.033823
"1688516"	364.211823	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+NH4"	18.033823
"334611"	355.6985495	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+H+NH4"	19.041099
"728124"	528.7875495	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+H+NH4"	19.041099
"1483039"	182.6095495	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H+NH4"	19.041099
"395158"	715.345218	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+Na"	22.989218
"754935"	1061.523218	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+Na"	22.989218
"1604005"	369.167218	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Na"	22.989218
"315622"	358.176247	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+H+Na"	23.996494
"711091"	531.265247	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+H+Na"	23.996494
"1464181"	185.087247	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H+Na"	23.996494
"1053537"	123.727256666667	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2H+Na"	25.00377
"1259104"	379.211486	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+CH3OH+H"	33.033486
"380959"	731.319158	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+K"	38.963158
"739401"	1077.497158	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+K"	38.963158
"1540725"	385.141158	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+K"	38.963158
"300447"	366.163217	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+H+K"	39.970434
"694326"	539.252217	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+H+K"	39.970434
"1449603"	193.074217	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H+K"	39.970434
"240029"	734.389826	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+ACN+H"	42.033826
"1214561"	388.211826	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+ACN+H"	42.033826
"1197716"	194.609551	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+ACN+2H"	43.041102
"192787"	737.32716	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+2Na-H"	44.97116
"634536"	1083.50516	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+2Na-H"	44.97116
"1134760"	391.14916	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2Na-H"	44.97116
"178050"	369.167218	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+2Na"	45.978436
"616517"	542.256218	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+2Na"	45.978436
"1117104"	196.078218	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2Na"	45.978436
"1398721"	131.054570666667	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H+2Na"	46.985712
"1441128"	393.190746	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H+HCOOH"	47.012746
"225356"	374.20024	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+3H2O+2H"	56.04448
"1516703"	407.24279	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+IsoProp+H"	61.06479
"412380"	377.154188	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+Na+K"	61.952376
"776291"	550.243188	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+Na+K"	61.952376
"1670434"	204.065188	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Na+K"	61.952376
"252940"	756.371768	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+ACN+Na"	64.015768
"1230752"	410.193768	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+ACN+Na"	64.015768
"1718546"	410.217293	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+NH4+HCOOH"	64.039293
"1186095"	138.381884666667	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+3Na"	68.967654
"1655988"	415.172688	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Na+HCOOH"	68.994688
"159933"	769.27504	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+2K-H"	76.91904
"610065"	1115.45304	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+2K-H"	76.91904
"1095672"	423.09704	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2K-H"	76.91904
"152489"	385.141158	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"2M+2K"	77.926316
"589862"	558.230158	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"3M+2K"	77.926316
"1075465"	212.052158	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2K"	77.926316
"1104300"	425.111592	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2K+H"	78.933592
"1339592"	425.199207	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+DMSO+H"	79.021207
"1011404"	429.238376	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2ACN+H"	83.060376
"1529529"	430.232008	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+IsoProp+Na+H"	84.054008
"994882"	215.122826	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+2ACN+2H"	84.067652
"1591578"	431.146628	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+K+HCOOH"	84.968628
"1416144"	461.178138	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+H+CF3COOH"	115.000138
"1147524"	235.636101	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+3ACN+2H"	125.094202
"1701451"	478.204685	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+NH4+CF3COOH"	132.026685
"1634427"	483.16008	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+Na+CF3COOH"	136.98208
"1572753"	499.13402	"C20633"	"Methyl gibberellin A4"	"C20H26O5"	"346.178"	"M+K+CF3COOH"	152.95602
"815150"	151.0633	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M"	0
"985402"	132.04491	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-H2O-H"	-19.01839
"74737"	99.7015906666667	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M-3H"	-3.021828
"516487"	150.056024	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M-3H"	-3.021828
"889913"	49.3471573333333	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-3H"	-3.021828
"13961"	150.056024	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M-2H"	-2.014552
"453521"	225.587674	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M-2H"	-2.014552
"831321"	74.524374	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-2H"	-2.014552
"84756"	301.119324	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M-H"	-1.007276
"524315"	452.182624	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M-H"	-1.007276
"899202"	150.056024	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-H"	-1.007276
"56500"	318.145871	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M-2H+NH4"	16.019271
"496058"	469.209171	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M-2H+NH4"	16.019271
"873860"	167.082571	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-2H+NH4"	16.019271
"38480"	323.101266	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M-2H+Na"	20.974666
"482414"	474.164566	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M-2H+Na"	20.974666
"850377"	172.037966	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-2H+Na"	20.974666
"1630122"	172.037966	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Na-2H"	20.974666
"103011"	168.044363	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M-H+Cl"	33.962126
"541476"	243.576013	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M-H+Cl"	33.962126
"934986"	92.512713	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-H+Cl"	33.962126
"279008"	337.096002	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+Cl"	34.969402
"671431"	488.159302	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+Cl"	34.969402
"1279461"	186.032702	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Cl"	34.969402
"22022"	339.075206	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M-2H+K"	36.948606
"464132"	490.138506	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M-2H+K"	36.948606
"842666"	188.011906	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-2H+K"	36.948606
"1566151"	188.011906	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+K-2H"	36.948606
"950390"	196.061494	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-H+HCOOH"	44.998194
"370068"	347.124801	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+HCOOH-H"	44.998201
"353219"	361.140451	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+Hac-H"	59.013851
"1500595"	210.077151	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Hac-H"	59.013851
"964855"	218.043451	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-H+NaCOOH"	66.980151
"118135"	186.032702	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+2Cl"	69.938804
"556965"	261.564352	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+2Cl"	69.938804
"1029781"	110.501052	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2Cl"	69.938804
"1244620"	229.982185	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Br"	78.918885
"1309986"	232.038172	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Cl+HCOOH"	80.974872
"1324930"	254.020129	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Cl+NaCOOH"	102.956829
"917446"	264.048886	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M-H+CF3COOH"	112.985586
"1294152"	300.025564	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Cl+CF3COOH"	148.962264
"1372313"	116.050624	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H-2H2O"	-35.012676
"1385069"	134.0606	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H-H2O"	-17.0027
"285849"	303.133876	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+H"	1.007276
"676444"	454.197176	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+H"	1.007276
"1351324"	152.070576	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H"	1.007276
"126778"	152.070576	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+2H"	2.014552
"567796"	227.602226	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+2H"	2.014552
"1044625"	76.538926	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2H"	2.014552
"216903"	101.716142666667	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+3H"	3.021828
"655371"	152.070576	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+3H"	3.021828
"1173497"	51.3617093333333	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+3H"	3.021828
"434581"	320.160423	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+NH4"	18.033823
"794484"	471.223723	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+NH4"	18.033823
"1689720"	169.097123	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+NH4"	18.033823
"339093"	160.5838495	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+H+NH4"	19.041099
"731515"	236.1154995	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+H+NH4"	19.041099
"1486426"	85.0521995	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H+NH4"	19.041099
"397455"	325.115818	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+Na"	22.989218
"759544"	476.179118	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+Na"	22.989218
"1608735"	174.052518	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Na"	22.989218
"322052"	163.061547	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+H+Na"	23.996494
"713386"	238.593197	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+H+Na"	23.996494
"1464656"	87.529897	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H+Na"	23.996494
"1055711"	58.6890233333333	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2H+Na"	25.00377
"1262133"	184.096786	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+CH3OH+H"	33.033486
"387266"	341.089758	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+K"	38.963158
"743886"	492.153058	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+K"	38.963158
"1543384"	190.026458	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+K"	38.963158
"301290"	171.048517	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+H+K"	39.970434
"694805"	246.580167	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+H+K"	39.970434
"1451541"	95.516867	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H+K"	39.970434
"243423"	344.160426	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+ACN+H"	42.033826
"1216132"	193.097126	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+ACN+H"	42.033826
"1196002"	97.052201	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+ACN+2H"	43.041102
"191798"	347.09776	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+2Na-H"	44.97116
"636103"	498.16106	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+2Na-H"	44.97116
"1140339"	196.03446	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2Na-H"	44.97116
"183627"	174.052518	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+2Na"	45.978436
"621000"	249.584168	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+2Na"	45.978436
"1117943"	98.520868	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2Na"	45.978436
"1400374"	66.0163373333333	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H+2Na"	46.985712
"1441239"	198.076046	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H+HCOOH"	47.012746
"228746"	179.08554	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+3H2O+2H"	56.04448
"1516813"	212.12809	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+IsoProp+H"	61.06479
"415043"	182.039488	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+Na+K"	61.952376
"776402"	257.571138	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+Na+K"	61.952376
"1670544"	106.507838	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Na+K"	61.952376
"253416"	366.142368	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+ACN+Na"	64.015768
"1228676"	215.079068	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+ACN+Na"	64.015768
"1713919"	215.102593	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+NH4+HCOOH"	64.039293
"1186205"	73.3436513333333	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+3Na"	68.967654
"1658285"	220.057988	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Na+HCOOH"	68.994688
"159314"	379.04564	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+2K-H"	76.91904
"611756"	530.10894	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+2K-H"	76.91904
"1095782"	227.98234	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2K-H"	76.91904
"151505"	190.026458	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"2M+2K"	77.926316
"589972"	265.558108	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"3M+2K"	77.926316
"1074482"	114.494808	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2K"	77.926316
"1104045"	229.996892	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2K+H"	78.933592
"1340796"	230.084507	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+DMSO+H"	79.021207
"1009327"	234.123676	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2ACN+H"	83.060376
"1528546"	235.117308	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+IsoProp+Na+H"	84.054008
"994992"	117.565476	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+2ACN+2H"	84.067652
"1589497"	236.031928	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+K+HCOOH"	84.968628
"1418441"	266.063438	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+H+CF3COOH"	115.000138
"1150916"	138.078751	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+3ACN+2H"	125.094202
"1699375"	283.089985	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+NH4+CF3COOH"	132.026685
"1635026"	288.04538	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+Na+CF3COOH"	136.98208
"1572863"	304.01932	"C20634"	"O-Methyl anthranilate"	"C8H9NO2"	"151.0633"	"M+K+CF3COOH"	152.95602
"816234"	189.079	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M"	0
"985512"	170.06061	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-H2O-H"	-19.01839
"68287"	125.045390666667	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M-3H"	-3.021828
"514410"	188.071724	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M-3H"	-3.021828
"888930"	62.0190573333333	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-3H"	-3.021828
"11886"	188.071724	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M-2H"	-2.014552
"452174"	282.611224	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M-2H"	-2.014552
"831434"	93.532224	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-2H"	-2.014552
"81585"	377.150724	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M-H"	-1.007276
"523331"	566.229724	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M-H"	-1.007276
"898582"	188.071724	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-H"	-1.007276
"58796"	394.177271	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M-2H+NH4"	16.019271
"496168"	583.256271	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M-2H+NH4"	16.019271
"873970"	205.098271	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-2H+NH4"	16.019271
"38590"	399.132666	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M-2H+Na"	20.974666
"484715"	588.211666	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M-2H+Na"	20.974666
"849385"	210.053666	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-2H+Na"	20.974666
"1631689"	210.053666	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Na-2H"	20.974666
"106402"	206.060063	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M-H+Cl"	33.962126
"544865"	300.599563	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M-H+Cl"	33.962126
"936192"	111.520563	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-H+Cl"	33.962126
"271465"	413.127402	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+Cl"	34.969402
"670447"	602.206402	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+Cl"	34.969402
"1280664"	224.048402	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Cl"	34.969402
"27598"	415.106606	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M-2H+K"	36.948606
"467157"	604.185606	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M-2H+K"	36.948606
"843868"	226.027606	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-2H+K"	36.948606
"1565531"	226.027606	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+K-2H"	36.948606
"951228"	234.077194	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-H+HCOOH"	44.998194
"372364"	423.156201	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+HCOOH-H"	44.998201
"352965"	437.171851	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+Hac-H"	59.013851
"1499975"	248.092851	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Hac-H"	59.013851
"965328"	256.059151	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-H+NaCOOH"	66.980151
"116421"	224.048402	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+2Cl"	69.938804
"557439"	318.587902	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+2Cl"	69.938804
"1026609"	129.508902	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2Cl"	69.938804
"1247282"	267.997885	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Br"	78.918885
"1305718"	270.053872	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Cl+HCOOH"	80.974872
"1319897"	292.035829	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Cl+NaCOOH"	102.956829
"913180"	302.064586	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M-H+CF3COOH"	112.985586
"1290980"	338.041264	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Cl+CF3COOH"	148.962264
"1368413"	154.066324	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H-2H2O"	-35.012676
"1383721"	172.0763	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H-H2O"	-17.0027
"286323"	379.165276	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+H"	1.007276
"676555"	568.244276	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+H"	1.007276
"1352176"	190.086276	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H"	1.007276
"125914"	190.086276	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+2H"	2.014552
"566084"	284.625776	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+2H"	2.014552
"1038533"	95.546776	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2H"	2.014552
"219565"	127.059942666667	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+3H"	3.021828
"656574"	190.086276	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+3H"	3.021828
"1173607"	64.0336093333333	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+3H"	3.021828
"436878"	396.191823	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+NH4"	18.033823
"797871"	585.270823	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+NH4"	18.033823
"1690926"	207.112823	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+NH4"	18.033823
"342850"	198.5995495	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+H+NH4"	19.041099
"732720"	293.1390495	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+H+NH4"	19.041099
"1490551"	104.0600495	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H+NH4"	19.041099
"399751"	401.147218	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+Na"	22.989218
"758561"	590.226218	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+Na"	22.989218
"1609940"	212.068218	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Na"	22.989218
"326536"	201.077247	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+H+Na"	23.996494
"714593"	295.616747	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+H+Na"	23.996494
"1466226"	106.537747	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H+Na"	23.996494
"1055822"	71.3609233333333	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2H+Na"	25.00377
"1262243"	222.112486	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+CH3OH+H"	33.033486
"386284"	417.121158	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+K"	38.963158
"743996"	606.200158	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+K"	38.963158
"1541675"	228.042158	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+K"	38.963158
"302494"	209.064217	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+H+K"	39.970434
"695645"	303.603717	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+H+K"	39.970434
"1448004"	114.524717	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H+K"	39.970434
"244627"	420.191826	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+ACN+H"	42.033826
"1217335"	231.112826	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+ACN+H"	42.033826
"1197209"	116.060051	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+ACN+2H"	43.041102
"191179"	423.12916	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+2Na-H"	44.97116
"636578"	612.20816	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+2Na-H"	44.97116
"1138991"	234.05016	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2Na-H"	44.97116
"181916"	212.068218	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+2Na"	45.978436
"620017"	306.607718	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+2Na"	45.978436
"1117201"	117.528718	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2Na"	45.978436
"1400848"	78.6882373333333	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H+2Na"	46.985712
"1438068"	236.091746	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H+HCOOH"	47.012746
"225576"	217.10124	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+3H2O+2H"	56.04448
"1515830"	250.14379	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+IsoProp+H"	61.06479
"414423"	220.055188	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+Na+K"	61.952376
"775418"	314.594688	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+Na+K"	61.952376
"1670654"	125.515688	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Na+K"	61.952376
"252186"	442.173768	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+ACN+Na"	64.015768
"1226229"	253.094768	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+ACN+Na"	64.015768
"1714024"	253.118293	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+NH4+HCOOH"	64.039293
"1184125"	86.0155513333333	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+3Na"	68.967654
"1659488"	258.073688	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Na+HCOOH"	68.994688
"160883"	455.07704	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+2K-H"	76.91904
"611378"	644.15604	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+2K-H"	76.91904
"1094797"	265.99804	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2K-H"	76.91904
"151615"	228.042158	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"2M+2K"	77.926316
"586801"	322.581658	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"3M+2K"	77.926316
"1072038"	133.502658	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2K"	77.926316
"1104521"	268.012592	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2K+H"	78.933592
"1341999"	268.100207	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+DMSO+H"	79.021207
"1012714"	272.139376	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2ACN+H"	83.060376
"1529749"	273.133008	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+IsoProp+Na+H"	84.054008
"996195"	136.573326	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+2ACN+2H"	84.067652
"1590701"	274.047628	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+K+HCOOH"	84.968628
"1418551"	304.079138	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+H+CF3COOH"	115.000138
"1148106"	157.086601	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+3ACN+2H"	125.094202
"1698391"	321.105685	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+NH4+CF3COOH"	132.026685
"1634405"	326.06108	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+Na+CF3COOH"	136.98208
"1571431"	342.03502	"C20635"	"Methyl (indol-3-yl)acetate"	"C11H11NO2"	"189.079"	"M+K+CF3COOH"	152.95602
"816463"	351.1947	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M"	0
"985622"	332.17631	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-H2O-H"	-19.01839
"68397"	233.122524	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M-3H"	-3.021828
"513428"	350.187424	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M-3H"	-3.021828
"887948"	116.057624	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-3H"	-3.021828
"10903"	350.187424	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M-2H"	-2.014552
"451556"	525.784774	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M-2H"	-2.014552
"829723"	174.590074	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-2H"	-2.014552
"91537"	701.382124	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M-H"	-1.007276
"521255"	1052.576824	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M-H"	-1.007276
"896627"	350.187424	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-H"	-1.007276
"55626"	718.408671	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M-2H+NH4"	16.019271
"496278"	1069.603371	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M-2H+NH4"	16.019271
"873716"	367.213971	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-2H+NH4"	16.019271
"38700"	723.364066	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M-2H+Na"	20.974666
"484094"	1074.558766	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M-2H+Na"	20.974666
"848549"	372.169366	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-2H+Na"	20.974666
"1621222"	372.169366	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Na-2H"	20.974666
"95685"	368.175763	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M-H+Cl"	33.962126
"547161"	543.773113	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M-H+Cl"	33.962126
"935207"	192.578413	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-H+Cl"	33.962126
"270846"	737.358802	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+Cl"	34.969402
"669462"	1088.553502	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+Cl"	34.969402
"1277494"	386.164102	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Cl"	34.969402
"27708"	739.338006	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M-2H+K"	36.948606
"462894"	1090.532706	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M-2H+K"	36.948606
"845071"	388.143306	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-2H+K"	36.948606
"1565277"	388.143306	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+K-2H"	36.948606
"950974"	396.192894	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-H+HCOOH"	44.998194
"371380"	747.387601	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+HCOOH-H"	44.998201
"353074"	761.403251	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+Hac-H"	59.013851
"1499719"	410.208551	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Hac-H"	59.013851
"963981"	418.174851	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-H+NaCOOH"	66.980151
"117261"	386.164102	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+2Cl"	69.938804
"555726"	561.761452	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+2Cl"	69.938804
"1026719"	210.566752	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2Cl"	69.938804
"1244109"	430.113585	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Br"	78.918885
"1306925"	432.169572	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Cl+HCOOH"	80.974872
"1320033"	454.151529	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Cl+NaCOOH"	102.956829
"912195"	464.180286	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M-H+CF3COOH"	112.985586
"1289633"	500.156964	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Cl+CF3COOH"	148.962264
"1372169"	316.182024	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H-2H2O"	-35.012676
"1386384"	334.192	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H-H2O"	-17.0027
"283517"	703.396676	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+H"	1.007276
"676300"	1054.591376	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+H"	1.007276
"1352284"	352.201976	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H"	1.007276
"126631"	352.201976	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+2H"	2.014552
"566560"	527.799326	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+2H"	2.014552
"1037256"	176.604626	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2H"	2.014552
"219554"	235.137076	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+3H"	3.021828
"654497"	352.201976	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+3H"	3.021828
"1171530"	118.072176	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+3H"	3.021828
"434801"	720.423223	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+NH4"	18.033823
"793610"	1071.617923	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+NH4"	18.033823
"1691036"	369.228523	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+NH4"	18.033823
"340408"	360.7152495	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+H+NH4"	19.041099
"732830"	536.3125995	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+H+NH4"	19.041099
"1486649"	185.1178995	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H+NH4"	19.041099
"398767"	725.378618	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+Na"	22.989218
"761951"	1076.573318	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+Na"	22.989218
"1611143"	374.183918	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Na"	22.989218
"327011"	363.192947	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+H+Na"	23.996494
"712148"	538.790297	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+H+Na"	23.996494
"1467429"	187.595597	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H+Na"	23.996494
"1055204"	125.39949	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2H+Na"	25.00377
"1259436"	384.228186	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+CH3OH+H"	33.033486
"386394"	741.352558	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+K"	38.963158
"747389"	1092.547258	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+K"	38.963158
"1548345"	390.157858	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+K"	38.963158
"301147"	371.179917	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+H+K"	39.970434
"695755"	546.777267	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+H+K"	39.970434
"1448843"	195.582567	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H+K"	39.970434
"242550"	744.423226	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+ACN+H"	42.033826
"1216351"	393.228526	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+ACN+H"	42.033826
"1197683"	197.117901	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+ACN+2H"	43.041102
"193111"	747.36056	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+2Na-H"	44.97116
"633408"	1098.55526	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+2Na-H"	44.97116
"1141653"	396.16586	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2Na-H"	44.97116
"181661"	374.183918	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+2Na"	45.978436
"620127"	549.781268	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+2Na"	45.978436
"1116339"	198.586568	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2Na"	45.978436
"1401687"	132.726804	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H+2Na"	46.985712
"1438178"	398.207446	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H+HCOOH"	47.012746
"225686"	379.21694	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+3H2O+2H"	56.04448
"1519220"	412.25949	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+IsoProp+H"	61.06479
"414533"	382.170888	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+Na+K"	61.952376
"775528"	557.768238	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+Na+K"	61.952376
"1668212"	206.573538	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Na+K"	61.952376
"253638"	766.405168	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+ACN+Na"	64.015768
"1227074"	415.210468	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+ACN+Na"	64.015768
"1715232"	415.233993	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+NH4+HCOOH"	64.039293
"1183144"	140.054118	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+3Na"	68.967654
"1655224"	420.189388	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Na+HCOOH"	68.994688
"160993"	779.30844	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+2K-H"	76.91904
"609301"	1130.50314	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+2K-H"	76.91904
"1094907"	428.11374	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2K-H"	76.91904
"145163"	390.157858	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"2M+2K"	77.926316
"589098"	565.755208	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"3M+2K"	77.926316
"1072516"	214.560508	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2K"	77.926316
"1104632"	430.128292	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2K+H"	78.933592
"1341017"	430.215907	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+DMSO+H"	79.021207
"1010639"	434.255076	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2ACN+H"	83.060376
"1529859"	435.248708	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+IsoProp+Na+H"	84.054008
"995212"	217.631176	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+2ACN+2H"	84.067652
"1587896"	436.163328	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+K+HCOOH"	84.968628
"1417568"	466.194838	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+H+CF3COOH"	115.000138
"1147851"	238.144451	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+3ACN+2H"	125.094202
"1699594"	483.221385	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+NH4+CF3COOH"	132.026685
"1635246"	488.17678	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+Na+CF3COOH"	136.98208
"1571622"	504.15072	"C20636"	"Deoxybrevianamide E"	"C21H25N3O2"	"351.1947"	"M+K+CF3COOH"	152.95602
"816452"	344.0645	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M"	0
"988286"	325.04611	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-H2O-H"	-19.01839
"73974"	228.369057333333	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M-3H"	-3.021828
"514631"	343.057224	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M-3H"	-3.021828
"889152"	113.680890666667	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-3H"	-3.021828
"8819"	343.057224	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M-2H"	-2.014552
"442181"	515.089474	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M-2H"	-2.014552
"829106"	171.024974	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-2H"	-2.014552
"90555"	687.121724	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M-H"	-1.007276
"524645"	1031.186224	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M-H"	-1.007276
"898075"	343.057224	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-H"	-1.007276
"52456"	704.148271	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M-2H+NH4"	16.019271
"489828"	1048.212771	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M-2H+NH4"	16.019271
"868723"	360.083771	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-2H+NH4"	16.019271
"40998"	709.103666	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M-2H+Na"	20.974666
"482382"	1053.168166	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M-2H+Na"	20.974666
"848632"	365.039166	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-2H+Na"	20.974666
"1620237"	365.039166	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Na-2H"	20.974666
"94319"	361.045563	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M-H+Cl"	33.962126
"546905"	533.077813	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M-H+Cl"	33.962126
"933127"	189.013313	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-H+Cl"	33.962126
"272775"	723.098402	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+Cl"	34.969402
"669572"	1067.162902	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+Cl"	34.969402
"1276512"	379.033902	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Cl"	34.969402
"19434"	725.077606	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M-2H+K"	36.948606
"463004"	1069.142106	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M-2H+K"	36.948606
"839713"	381.013106	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-2H+K"	36.948606
"1564294"	381.013106	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+K-2H"	36.948606
"952177"	389.062694	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-H+HCOOH"	44.998194
"370397"	733.127201	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+HCOOH-H"	44.998201
"354277"	747.142851	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+Hac-H"	59.013851
"1499830"	403.078351	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Hac-H"	59.013851
"964091"	411.044651	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-H+NaCOOH"	66.980151
"117371"	379.033902	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+2Cl"	69.938804
"556202"	551.066152	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+2Cl"	69.938804
"1030109"	207.001652	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2Cl"	69.938804
"1243127"	422.983385	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Br"	78.918885
"1305575"	425.039372	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Cl+HCOOH"	80.974872
"1320028"	447.021329	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Cl+NaCOOH"	102.956829
"913766"	457.050086	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M-H+CF3COOH"	112.985586
"1291931"	493.026764	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Cl+CF3COOH"	148.962264
"1375559"	309.051824	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H-2H2O"	-35.012676
"1386858"	327.0618	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H-H2O"	-17.0027
"284356"	689.136276	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+H"	1.007276
"676246"	1033.200776	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+H"	1.007276
"1352635"	345.071776	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H"	1.007276
"127592"	345.071776	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+2H"	2.014552
"567400"	517.104026	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+2H"	2.014552
"1038384"	173.039526	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2H"	2.014552
"218692"	230.383609333333	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+3H"	3.021828
"656794"	345.071776	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+3H"	3.021828
"1171640"	115.695442666667	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+3H"	3.021828
"434912"	706.162823	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+NH4"	18.033823
"798460"	1050.227323	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+NH4"	18.033823
"1692238"	362.098323	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+NH4"	18.033823
"343436"	353.5850495	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+H+NH4"	19.041099
"734035"	525.6172995	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+H+NH4"	19.041099
"1489678"	181.5527995	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H+NH4"	19.041099
"403252"	711.118218	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+Na"	22.989218
"763156"	1055.182718	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+Na"	22.989218
"1612348"	367.053718	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Na"	22.989218
"324205"	356.062747	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+H+Na"	23.996494
"711530"	528.094997	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+H+Na"	23.996494
"1464986"	184.030497	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H+Na"	23.996494
"1054949"	123.022756666667	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2H+Na"	25.00377
"1260275"	377.097986	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+CH3OH+H"	33.033486
"385411"	727.092158	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+K"	38.963158
"748593"	1071.156658	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+K"	38.963158
"1548455"	383.027658	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+K"	38.963158
"301258"	364.049717	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+H+K"	39.970434
"696960"	536.081967	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+H+K"	39.970434
"1449683"	192.017467	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H+K"	39.970434
"245939"	730.162826	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+ACN+H"	42.033826
"1216461"	386.098326	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+ACN+H"	42.033826
"1195242"	193.552801	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+ACN+2H"	43.041102
"191031"	733.10016	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+2Na-H"	44.97116
"632782"	1077.16466	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+2Na-H"	44.97116
"1131907"	389.03566	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2Na-H"	44.97116
"181771"	367.053718	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+2Na"	45.978436
"619144"	539.085968	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+2Na"	45.978436
"1116328"	195.021468	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2Na"	45.978436
"1399974"	130.350070666667	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H+2Na"	46.985712
"1438288"	391.077246	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H+HCOOH"	47.012746
"225796"	372.08674	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+3H2O+2H"	56.04448
"1518237"	405.12929	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+IsoProp+H"	61.06479
"414643"	375.040688	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+Na+K"	61.952376
"775638"	547.072938	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+Na+K"	61.952376
"1668322"	203.008438	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Na+K"	61.952376
"253748"	752.144768	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+ACN+Na"	64.015768
"1226456"	408.080268	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+ACN+Na"	64.015768
"1714249"	408.103793	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+NH4+HCOOH"	64.039293
"1185441"	137.677384666667	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+3Na"	68.967654
"1658614"	413.059188	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Na+HCOOH"	68.994688
"160009"	765.04804	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+2K-H"	76.91904
"609411"	1109.11254	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+2K-H"	76.91904
"1095017"	420.98354	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2K-H"	76.91904
"145273"	383.027658	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"2M+2K"	77.926316
"587021"	555.059908	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"3M+2K"	77.926316
"1071897"	210.995408	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2K"	77.926316
"1106929"	422.998092	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2K+H"	78.933592
"1343314"	423.085707	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+DMSO+H"	79.021207
"1012937"	427.124876	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2ACN+H"	83.060376
"1528875"	428.118508	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+IsoProp+Na+H"	84.054008
"994229"	214.066076	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+2ACN+2H"	84.067652
"1588737"	429.033128	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+K+HCOOH"	84.968628
"1415491"	459.064638	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+H+CF3COOH"	115.000138
"1147718"	234.579351	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+3ACN+2H"	125.094202
"1697079"	476.091185	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+NH4+CF3COOH"	132.026685
"1635356"	481.04658	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+Na+CF3COOH"	136.98208
"1572099"	497.02052	"C20637"	"5-(47-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)aminocarbonyl-4-methyl-1H-pyrrole-3-carboxylate"	"C16H12N2O7"	"344.0645"	"M+K+CF3COOH"	152.95602
"817054"	588.0982	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M"	0
"989919"	569.07981	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-H2O-H"	-19.01839
"75177"	391.058190666667	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M-3H"	-3.021828
"514741"	587.090924	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M-3H"	-3.021828
"890355"	195.025457333333	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-3H"	-3.021828
"11115"	587.090924	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M-2H"	-2.014552
"444113"	881.140024	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M-2H"	-2.014552
"830309"	293.041824	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-2H"	-2.014552
"91395"	1175.189124	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M-H"	-1.007276
"524755"	1763.287324	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M-H"	-1.007276
"901464"	587.090924	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-H"	-1.007276
"47703"	1192.215671	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M-2H+NH4"	16.019271
"487378"	1780.313871	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M-2H+NH4"	16.019271
"864453"	604.117471	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-2H+NH4"	16.019271
"33453"	1197.171066	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M-2H+Na"	20.974666
"478481"	1785.269266	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M-2H+Na"	20.974666
"855190"	609.072866	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-2H+Na"	20.974666
"1628004"	609.072866	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Na-2H"	20.974666
"104531"	605.079263	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M-H+Cl"	33.962126
"545556"	899.128363	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M-H+Cl"	33.962126
"931050"	311.030163	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-H+Cl"	33.962126
"270695"	1211.165802	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+Cl"	34.969402
"660810"	1799.264002	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+Cl"	34.969402
"1275892"	623.067602	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Cl"	34.969402
"17356"	1213.145006	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M-2H+K"	36.948606
"463114"	1801.243206	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M-2H+K"	36.948606
"837634"	625.046806	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-2H+K"	36.948606
"1565496"	625.046806	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+K-2H"	36.948606
"950101"	633.096394	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-H+HCOOH"	44.998194
"369413"	1221.194601	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+HCOOH-H"	44.998201
"352201"	1235.210251	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+Hac-H"	59.013851
"1499939"	647.112051	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Hac-H"	59.013851
"966387"	655.078351	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-H+NaCOOH"	66.980151
"117844"	623.067602	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+2Cl"	69.938804
"557041"	917.116702	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+2Cl"	69.938804
"1024387"	329.018502	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2Cl"	69.938804
"1242992"	667.017085	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Br"	78.918885
"1304830"	669.073072	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Cl+HCOOH"	80.974872
"1320382"	691.055029	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Cl+NaCOOH"	102.956829
"913875"	701.083786	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M-H+CF3COOH"	112.985586
"1294228"	737.060464	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Cl+CF3COOH"	148.962264
"1370930"	553.085524	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H-2H2O"	-35.012676
"1387332"	571.0955	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H-H2O"	-17.0027
"285194"	1177.203676	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+H"	1.007276
"677003"	1765.301876	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+H"	1.007276
"1353598"	589.105476	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H"	1.007276
"125766"	589.105476	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+2H"	2.014552
"565924"	883.154576	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+2H"	2.014552
"1037642"	295.056376	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2H"	2.014552
"212966"	393.072742666667	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+3H"	3.021828
"657634"	589.105476	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+3H"	3.021828
"1173937"	197.040009333333	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+3H"	3.021828
"435022"	1194.230223	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+NH4"	18.033823
"798570"	1782.328423	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+NH4"	18.033823
"1692348"	606.132023	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+NH4"	18.033823
"340626"	597.6187495	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+H+NH4"	19.041099
"734142"	891.6678495	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+H+NH4"	19.041099
"1490149"	303.5696495	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H+NH4"	19.041099
"404455"	1199.185618	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+Na"	22.989218
"767275"	1787.283818	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+Na"	22.989218
"1614280"	611.087418	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Na"	22.989218
"325772"	600.096447	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+H+Na"	23.996494
"712733"	894.145547	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+H+Na"	23.996494
"1468743"	306.047347	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H+Na"	23.996494
"1059801"	204.367323333333	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2H+Na"	25.00377
"1259291"	621.131686	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+CH3OH+H"	33.033486
"384427"	1215.159558	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+K"	38.963158
"747608"	1803.257758	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+K"	38.963158
"1552939"	627.061358	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+K"	38.963158
"307929"	608.083417	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+H+K"	39.970434
"698163"	902.132517	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+H+K"	39.970434
"1451981"	314.034317	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H+K"	39.970434
"247142"	1218.230226	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+ACN+H"	42.033826
"1217665"	630.132026	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+ACN+H"	42.033826
"1197174"	315.569651	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+ACN+2H"	43.041102
"191141"	1221.16756	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+2Na-H"	44.97116
"633985"	1809.26576	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+2Na-H"	44.97116
"1132019"	633.06936	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2Na-H"	44.97116
"181881"	611.087418	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+2Na"	45.978436
"620347"	905.136518	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+2Na"	45.978436
"1119475"	317.038318	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2Na"	45.978436
"1403000"	211.694637333333	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H+2Na"	46.985712
"1438398"	635.110946	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H+HCOOH"	47.012746
"226999"	616.12044	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+3H2O+2H"	56.04448
"1519440"	649.16299	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+IsoProp+H"	61.06479
"414753"	619.074388	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+Na+K"	61.952376
"775748"	913.123488	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+Na+K"	61.952376
"1667704"	325.025288	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Na+K"	61.952376
"256409"	1240.212168	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+ACN+Na"	64.015768
"1230211"	652.113968	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+ACN+Na"	64.015768
"1716910"	652.137493	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+NH4+HCOOH"	64.039293
"1189923"	219.021951333333	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+3Na"	68.967654
"1660910"	657.092888	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Na+HCOOH"	68.994688
"166679"	1253.11544	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+2K-H"	76.91904
"607334"	1841.21364	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+2K-H"	76.91904
"1095126"	665.01724	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2K-H"	76.91904
"147570"	627.061358	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"2M+2K"	77.926316
"590412"	921.110458	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"3M+2K"	77.926316
"1074922"	333.012258	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2K"	77.926316
"1108132"	667.031792	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2K+H"	78.933592
"1341237"	667.119407	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+DMSO+H"	79.021207
"1014139"	671.158576	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2ACN+H"	83.060376
"1527163"	672.152208	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+IsoProp+Na+H"	84.054008
"996525"	336.082926	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+2ACN+2H"	84.067652
"1588847"	673.066828	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+K+HCOOH"	84.968628
"1414263"	703.098338	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+H+CF3COOH"	115.000138
"1147708"	356.596201	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+3ACN+2H"	125.094202
"1697137"	720.124885	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+NH4+CF3COOH"	132.026685
"1635466"	725.08028	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+Na+CF3COOH"	136.98208
"1573303"	741.05422	"C20638"	"GDP-4-amino-46-dideoxy-alpha-D-mannose;GDP-alpha-D-perosamine"	"C16H26N6O14P2"	"588.0982"	"M+K+CF3COOH"	152.95602
"816713"	163.0593	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M"	0
"989233"	144.04091	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H2O-H"	-19.01839
"73101"	107.698924	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-3H"	-3.021828
"517931"	162.052024	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-3H"	-3.021828
"891558"	53.345824	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-3H"	-3.021828
"10132"	162.052024	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H"	-2.014552
"445317"	243.581674	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H"	-2.014552
"829683"	80.522374	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H"	-2.014552
"85301"	325.111324	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-H"	-1.007276
"522678"	488.170624	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-H"	-1.007276
"899386"	162.052024	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H"	-1.007276
"47437"	342.137871	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H+NH4"	16.019271
"488343"	505.197171	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H+NH4"	16.019271
"865780"	179.078571	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H+NH4"	16.019271
"32830"	347.093266	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H+Na"	20.974666
"479680"	510.152566	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H+Na"	20.974666
"862949"	184.033966	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H+Na"	20.974666
"1620457"	184.033966	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na-2H"	20.974666
"96984"	180.040363	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-H+Cl"	33.962126
"536061"	261.570013	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-H+Cl"	33.962126
"930061"	98.510713	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+Cl"	33.962126
"269713"	361.088002	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Cl"	34.969402
"663228"	524.147302	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+Cl"	34.969402
"1273600"	198.028702	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl"	34.969402
"20743"	363.067206	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H+K"	36.948606
"458843"	526.126506	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H+K"	36.948606
"842847"	200.007906	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H+K"	36.948606
"1565606"	200.007906	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K-2H"	36.948606
"955313"	208.057494	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+HCOOH"	44.998194
"366240"	371.116801	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+HCOOH-H"	44.998201
"354496"	385.132451	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Hac-H"	59.013851
"1501872"	222.073151	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Hac-H"	59.013851
"969412"	230.039451	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+NaCOOH"	66.980151
"120506"	198.028702	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2Cl"	69.938804
"559338"	279.558352	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2Cl"	69.938804
"1032151"	116.499052	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2Cl"	69.938804
"1250635"	241.978185	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Br"	78.918885
"1313451"	244.034172	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl+HCOOH"	80.974872
"1326572"	266.016129	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl+NaCOOH"	102.956829
"915441"	276.044886	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+CF3COOH"	112.985586
"1293971"	312.021564	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl+CF3COOH"	148.962264
"1368484"	128.046624	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H-2H2O"	-35.012676
"1383182"	146.0566	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H-H2O"	-17.0027
"283349"	327.125876	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H"	1.007276
"677349"	490.185176	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H"	1.007276
"1352606"	164.066576	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H"	1.007276
"127685"	164.066576	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2H"	2.014552
"566516"	245.596226	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2H"	2.014552
"1037624"	82.536926	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2H"	2.014552
"209792"	109.713476	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+3H"	3.021828
"650447"	164.066576	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+3H"	3.021828
"1172952"	55.360376	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+3H"	3.021828
"435131"	344.152423	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+NH4"	18.033823
"797219"	507.211723	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+NH4"	18.033823
"1692456"	181.093123	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+NH4"	18.033823
"342923"	172.5798495	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H+NH4"	19.041099
"736073"	254.1094995	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H+NH4"	19.041099
"1490258"	91.0501995	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+NH4"	19.041099
"402378"	349.107818	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Na"	22.989218
"762280"	512.167118	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+Na"	22.989218
"1615845"	186.048518	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na"	22.989218
"328069"	175.057547	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H+Na"	23.996494
"713938"	256.587197	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H+Na"	23.996494
"1468849"	93.527897	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+Na"	23.996494
"1058814"	62.68769	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2H+Na"	25.00377
"1262681"	196.092786	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+CH3OH+H"	33.033486
"387814"	365.081758	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+K"	38.963158
"744439"	528.141058	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+K"	38.963158
"1551955"	202.022458	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K"	38.963158
"310222"	183.044517	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H+K"	39.970434
"699363"	264.574167	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H+K"	39.970434
"1456464"	101.514867	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+K"	39.970434
"240691"	368.152426	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+ACN+H"	42.033826
"1214493"	205.093126	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+ACN+H"	42.033826
"1198010"	103.050201	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+ACN+2H"	43.041102
"190882"	371.08976	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2Na-H"	44.97116
"629711"	534.14906	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2Na-H"	44.97116
"1132853"	208.03046	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2Na-H"	44.97116
"181991"	186.048518	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2Na"	45.978436
"620457"	267.578168	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2Na"	45.978436
"1117399"	104.518868	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2Na"	45.978436
"1403110"	70.015004	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+2Na"	46.985712
"1433040"	210.072046	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+HCOOH"	47.012746
"221273"	191.08154	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+3H2O+2H"	56.04448
"1515176"	224.12409	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+IsoProp+H"	61.06479
"410853"	194.035488	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Na+K"	61.952376
"775856"	275.565138	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+Na+K"	61.952376
"1666720"	112.505838	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na+K"	61.952376
"255426"	390.134368	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+ACN+Na"	64.015768
"1229228"	227.075068	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+ACN+Na"	64.015768
"1720300"	227.098593	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+NH4+HCOOH"	64.039293
"1186750"	77.342318	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+3Na"	68.967654
"1652269"	232.053988	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na+HCOOH"	68.994688
"166786"	403.03764	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2K-H"	76.91904
"603066"	566.09694	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2K-H"	76.91904
"1089766"	239.97834	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2K-H"	76.91904
"148771"	202.022458	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2K"	77.926316
"588329"	283.552108	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2K"	77.926316
"1073938"	120.492808	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2K"	77.926316
"1106053"	241.992892	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2K+H"	78.933592
"1340253"	242.080507	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+DMSO+H"	79.021207
"1014250"	246.119676	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2ACN+H"	83.060376
"1530189"	247.113308	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+IsoProp+Na+H"	84.054008
"998822"	123.563476	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2ACN+2H"	84.067652
"1591143"	248.027928	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K+HCOOH"	84.968628
"1414494"	278.059438	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+CF3COOH"	115.000138
"1147818"	144.076751	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+3ACN+2H"	125.094202
"1697060"	295.085985	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+NH4+CF3COOH"	132.026685
"1635576"	300.04138	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na+CF3COOH"	136.98208
"1573412"	316.01532	"C20639"	"O-Ureido-L-serine;(2S)-2-Amino-3-(carbamoylamino)oxypropanoate;(2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K+CF3COOH"	152.95602
"814716"	674.1	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M"	0
"988250"	655.08161	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-H2O-H"	-19.01839
"72118"	448.392724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M-3H"	-3.021828
"517148"	673.092724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M-3H"	-3.021828
"890575"	223.692724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-3H"	-3.021828
"10242"	673.092724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M-2H"	-2.014552
"446520"	1010.142724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M-2H"	-2.014552
"829793"	336.042724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-2H"	-2.014552
"92704"	1347.192724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M-H"	-1.007276
"523880"	2021.292724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M-H"	-1.007276
"901683"	673.092724	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-H"	-1.007276
"47792"	1364.219271	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M-2H+NH4"	16.019271
"487723"	2038.319271	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M-2H+NH4"	16.019271
"865887"	690.119271	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-2H+NH4"	16.019271
"33791"	1369.174666	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M-2H+Na"	20.974666
"477604"	2043.274666	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M-2H+Na"	20.974666
"855405"	695.074666	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-2H+Na"	20.974666
"1624942"	695.074666	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Na-2H"	20.974666
"98190"	691.081063	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M-H+Cl"	33.962126
"535076"	1028.131063	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M-H+Cl"	33.962126
"928347"	354.031063	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-H+Cl"	33.962126
"269456"	1383.169402	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+Cl"	34.969402
"660539"	2057.269402	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+Cl"	34.969402
"1275130"	709.069402	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Cl"	34.969402
"18780"	1385.148606	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M-2H+K"	36.948606
"457615"	2059.248606	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M-2H+K"	36.948606
"840040"	711.048606	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-2H+K"	36.948606
"1565716"	711.048606	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+K-2H"	36.948606
"958454"	719.098194	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-H+HCOOH"	44.998194
"368174"	1393.198201	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+HCOOH-H"	44.998201
"354973"	1407.213851	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+Hac-H"	59.013851
"1500889"	733.113851	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Hac-H"	59.013851
"968794"	741.080151	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-H+NaCOOH"	66.980151
"119887"	709.069402	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+2Cl"	69.938804
"558354"	1046.119402	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+2Cl"	69.938804
"1032262"	372.019402	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2Cl"	69.938804
"1250017"	753.018885	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Br"	78.918885
"1315747"	755.074872	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Cl+HCOOH"	80.974872
"1324496"	777.056829	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Cl+NaCOOH"	102.956829
"912635"	787.085586	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M-H+CF3COOH"	112.985586
"1289707"	823.062264	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Cl+CF3COOH"	148.962264
"1370420"	639.087324	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H-2H2O"	-35.012676
"1384631"	657.0973	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H-H2O"	-17.0027
"284316"	1349.207276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+H"	1.007276
"675760"	2023.307276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+H"	1.007276
"1351540"	675.107276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H"	1.007276
"127186"	675.107276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+2H"	2.014552
"566140"	1012.157276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+2H"	2.014552
"1037855"	338.057276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2H"	2.014552
"207715"	450.407276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+3H"	3.021828
"652746"	675.107276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+3H"	3.021828
"1173790"	225.707276	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+3H"	3.021828
"436333"	1366.233823	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+NH4"	18.033823
"797329"	2040.333823	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+NH4"	18.033823
"1696212"	692.133823	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+NH4"	18.033823
"343764"	683.6205495	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+H+NH4"	19.041099
"736183"	1020.6705495	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+H+NH4"	19.041099
"1492153"	346.5705495	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H+NH4"	19.041099
"403583"	1371.189218	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+Na"	22.989218
"765671"	2045.289218	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+Na"	22.989218
"1610489"	697.089218	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Na"	22.989218
"324899"	686.098247	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+H+Na"	23.996494
"715140"	1023.148247	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+H+Na"	23.996494
"1467867"	349.048247	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H+Na"	23.996494
"1058925"	233.03459	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2H+Na"	25.00377
"1264979"	707.133486	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+CH3OH+H"	33.033486
"385739"	1387.163158	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+K"	38.963158
"745643"	2061.263158	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+K"	38.963158
"1547691"	713.063158	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+K"	38.963158
"310332"	694.085217	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+H+K"	39.970434
"698382"	1031.135217	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+H+K"	39.970434
"1451109"	357.035217	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H+K"	39.970434
"239707"	1390.233826	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+ACN+H"	42.033826
"1214603"	716.133826	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+ACN+H"	42.033826
"1194839"	358.570551	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+ACN+2H"	43.041102
"189899"	1393.17116	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+2Na-H"	44.97116
"629216"	2067.27116	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+2Na-H"	44.97116
"1132072"	719.07116	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2Na-H"	44.97116
"177722"	697.089218	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+2Na"	45.978436
"615095"	1034.139218	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+2Na"	45.978436
"1118602"	360.039218	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2Na"	45.978436
"1402126"	240.361904	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H+2Na"	46.985712
"1431692"	721.112746	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H+HCOOH"	47.012746
"223937"	702.12224	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+3H2O+2H"	56.04448
"1516380"	735.16479	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+IsoProp+H"	61.06479
"416066"	705.076188	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+Na+K"	61.952376
"775966"	1042.126188	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+Na+K"	61.952376
"1667193"	368.026188	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Na+K"	61.952376
"254802"	1412.215768	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+ACN+Na"	64.015768
"1230062"	738.115768	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+ACN+Na"	64.015768
"1717129"	738.139293	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+NH4+HCOOH"	64.039293
"1190141"	247.689218	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+3Na"	68.967654
"1661130"	743.094688	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Na+HCOOH"	68.994688
"166897"	1425.11904	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+2K-H"	76.91904
"605362"	2099.21904	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+2K-H"	76.91904
"1092066"	751.01904	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2K-H"	76.91904
"149975"	713.063158	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"2M+2K"	77.926316
"591721"	1050.113158	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"3M+2K"	77.926316
"1076235"	376.013158	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2K"	77.926316
"1110536"	753.033592	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2K+H"	78.933592
"1341456"	753.121207	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+DMSO+H"	79.021207
"1014360"	757.160376	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2ACN+H"	83.060376
"1530299"	758.154008	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+IsoProp+Na+H"	84.054008
"998932"	379.083826	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+2ACN+2H"	84.067652
"1590160"	759.068628	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+K+HCOOH"	84.968628
"1415091"	789.100138	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+H+CF3COOH"	115.000138
"1148047"	399.597101	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+3ACN+2H"	125.094202
"1697237"	806.126685	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+NH4+CF3COOH"	132.026685
"1634174"	811.08208	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+Na+CF3COOH"	136.98208
"1572429"	827.05602	"C20640"	"Cyclic GMP-AMP;Cyclic Gp(2-5)Ap(3-5);cGAMP(2-5)"	"C20H24N10O13P2"	"674.1"	"M+K+CF3COOH"	152.95602
"815919"	492.1006	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M"	0
"982891"	473.08221	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-H2O-H"	-19.01839
"74049"	327.059790666667	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M-3H"	-3.021828
"510696"	491.093324	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M-3H"	-3.021828
"887403"	163.026257333333	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-3H"	-3.021828
"5977"	491.093324	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M-2H"	-2.014552
"442256"	737.143624	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M-2H"	-2.014552
"830632"	245.043024	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-2H"	-2.014552
"92818"	983.193924	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M-H"	-1.007276
"522532"	1475.294524	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M-H"	-1.007276
"900700"	491.093324	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-H"	-1.007276
"47908"	1000.220471	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M-2H+NH4"	16.019271
"490267"	1492.321071	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M-2H+NH4"	16.019271
"865881"	508.119871	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-2H+NH4"	16.019271
"32685"	1005.175866	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M-2H+Na"	20.974666
"485367"	1497.276466	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M-2H+Na"	20.974666
"854423"	513.075266	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-2H+Na"	20.974666
"1625051"	513.075266	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Na-2H"	20.974666
"97206"	509.081663	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M-H+Cl"	33.962126
"535427"	755.131963	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M-H+Cl"	33.962126
"927847"	263.031363	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-H+Cl"	33.962126
"268106"	1019.170602	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+Cl"	34.969402
"661138"	1511.271202	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+Cl"	34.969402
"1274028"	527.070002	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Cl"	34.969402
"17554"	1021.149806	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M-2H+K"	36.948606
"456753"	1513.250406	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M-2H+K"	36.948606
"837233"	529.049206	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-2H+K"	36.948606
"1562546"	529.049206	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+K-2H"	36.948606
"956994"	537.098794	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-H+HCOOH"	44.998194
"368648"	1029.199401	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+HCOOH-H"	44.998201
"355447"	1043.215051	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+Hac-H"	59.013851
"1499176"	551.114451	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Hac-H"	59.013851
"966717"	559.080751	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-H+NaCOOH"	66.980151
"116718"	527.070002	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+2Cl"	69.938804
"555185"	773.120302	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+2Cl"	69.938804
"1033465"	281.019702	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2Cl"	69.938804
"1254137"	571.019485	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Br"	78.918885
"1308204"	573.075472	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Cl+HCOOH"	80.974872
"1324607"	595.057429	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Cl+NaCOOH"	102.956829
"914934"	605.086186	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M-H+CF3COOH"	112.985586
"1297838"	641.062864	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Cl+CF3COOH"	148.962264
"1371624"	457.087924	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H-2H2O"	-35.012676
"1387299"	475.0979	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H-H2O"	-17.0027
"284065"	985.208476	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+H"	1.007276
"676359"	1477.309076	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+H"	1.007276
"1351857"	493.107876	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H"	1.007276
"126567"	493.107876	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+2H"	2.014552
"566738"	739.158176	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+2H"	2.014552
"1037108"	247.057576	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2H"	2.014552
"208189"	329.074342666667	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+3H"	3.021828
"653950"	493.107876	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+3H"	3.021828
"1175359"	165.040809333333	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+3H"	3.021828
"438268"	1002.235023	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+NH4"	18.033823
"797439"	1494.335623	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+NH4"	18.033823
"1695230"	510.134423	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+NH4"	18.033823
"344240"	501.6211495	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+H+NH4"	19.041099
"737387"	747.6714495	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+H+NH4"	19.041099
"1492670"	255.5708495	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H+NH4"	19.041099
"405880"	1007.190418	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+Na"	22.989218
"762500"	1499.291018	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+Na"	22.989218
"1611692"	515.089818	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Na"	22.989218
"325009"	504.098847	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+H+Na"	23.996494
"715251"	750.149147	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+H+Na"	23.996494
"1467978"	258.048547	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H+Na"	23.996494
"1061225"	172.368123333333	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2H+Na"	25.00377
"1267275"	525.134086	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+CH3OH+H"	33.033486
"388037"	1023.164358	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+K"	38.963158
"750125"	1515.264958	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+K"	38.963158
"1553268"	531.063758	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+K"	38.963158
"311537"	512.085817	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+H+K"	39.970434
"703961"	758.136117	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+H+K"	39.970434
"1456685"	266.035517	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H+K"	39.970434
"245287"	1026.235026	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+ACN+H"	42.033826
"1215809"	534.134426	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+ACN+H"	42.033826
"1196412"	267.570851	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+ACN+2H"	43.041102
"190009"	1029.17236	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+2Na-H"	44.97116
"629204"	1521.27296	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+2Na-H"	44.97116
"1131618"	537.07176	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2Na-H"	44.97116
"173015"	515.089818	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+2Na"	45.978436
"615205"	761.140118	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+2Na"	45.978436
"1119805"	269.039518	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2Na"	45.978436
"1401871"	179.695437333333	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H+2Na"	46.985712
"1435447"	539.113346	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H+HCOOH"	47.012746
"222954"	520.12284	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+3H2O+2H"	56.04448
"1513209"	553.16539	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+IsoProp+H"	61.06479
"416176"	523.076788	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+Na+K"	61.952376
"778263"	769.127088	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+Na+K"	61.952376
"1667304"	277.026488	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Na+K"	61.952376
"254185"	1048.216968	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+ACN+Na"	64.015768
"1228716"	556.116368	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+ACN+Na"	64.015768
"1719426"	556.139893	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+NH4+HCOOH"	64.039293
"1186971"	187.022751333333	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+3Na"	68.967654
"1661240"	561.095288	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Na+HCOOH"	68.994688
"169193"	1061.12024	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+2K-H"	76.91904
"606566"	1553.22084	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+2K-H"	76.91904
"1091081"	569.01964	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2K-H"	76.91904
"151177"	531.063758	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"2M+2K"	77.926316
"591830"	777.114058	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"3M+2K"	77.926316
"1073429"	285.013458	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2K"	77.926316
"1105181"	571.034192	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2K+H"	78.933592
"1340473"	571.121807	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+DMSO+H"	79.021207
"1011189"	575.160976	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2ACN+H"	83.060376
"1528222"	576.154608	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+IsoProp+Na+H"	84.054008
"993577"	288.084126	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+2ACN+2H"	84.067652
"1591363"	577.069228	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+K+HCOOH"	84.968628
"1418119"	607.100738	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+H+CF3COOH"	115.000138
"1147915"	308.597401	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+3ACN+2H"	125.094202
"1697956"	624.127285	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+NH4+CF3COOH"	132.026685
"1634337"	629.08268	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+Na+CF3COOH"	136.98208
"1571810"	645.05662	"C20641"	"L-Threonylcarbamoyladenylate;L-Threonylcarbamoyl-AMP;TC-AMP"	"C15H21N6O11P"	"492.1006"	"M+K+CF3COOH"	152.95602
"815665"	974.6588	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M"	0
"983001"	955.64041	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-H2O-H"	-19.01839
"72336"	648.765257333333	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M-3H"	-3.021828
"511899"	973.651524	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M-3H"	-3.021828
"886420"	323.878990666667	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-3H"	-3.021828
"2807"	973.651524	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M-2H"	-2.014552
"441272"	1460.980924	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M-2H"	-2.014552
"829649"	486.322124	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-2H"	-2.014552
"90008"	1948.310324	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M-H"	-1.007276
"521184"	2922.969124	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M-H"	-1.007276
"897893"	973.651524	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-H"	-1.007276
"47204"	1965.336871	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M-2H+NH4"	16.019271
"487701"	2939.995671	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M-2H+NH4"	16.019271
"865259"	990.678071	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-2H+NH4"	16.019271
"32430"	1970.292266	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M-2H+Na"	20.974666
"471908"	2944.951066	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M-2H+Na"	20.974666
"849428"	995.633466	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-2H+Na"	20.974666
"1619362"	995.633466	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Na-2H"	20.974666
"96586"	991.639863	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M-H+Cl"	33.962126
"535780"	1478.969263	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M-H+Cl"	33.962126
"927549"	504.310463	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-H+Cl"	33.962126
"267606"	1984.287002	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+Cl"	34.969402
"660233"	2958.945802	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+Cl"	34.969402
"1273283"	1009.628202	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Cl"	34.969402
"16325"	1986.266206	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M-2H+K"	36.948606
"455858"	2960.925006	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M-2H+K"	36.948606
"833696"	1011.607406	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-2H+K"	36.948606
"1559740"	1011.607406	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+K-2H"	36.948606
"949447"	1019.656994	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-H+HCOOH"	44.998194
"365478"	1994.315801	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+HCOOH-H"	44.998201
"350454"	2008.331451	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+Hac-H"	59.013851
"1496006"	1033.672651	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Hac-H"	59.013851
"964640"	1041.638951	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-H+NaCOOH"	66.980151
"115733"	1009.628202	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+2Cl"	69.938804
"556388"	1496.957602	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+2Cl"	69.938804
"1030659"	522.298802	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2Cl"	69.938804
"1251331"	1053.577685	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Br"	78.918885
"1311594"	1055.633672	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Cl+HCOOH"	80.974872
"1320706"	1077.615629	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Cl+NaCOOH"	102.956829
"913952"	1087.644386	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M-H+CF3COOH"	112.985586
"1292116"	1123.621064	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Cl+CF3COOH"	148.962264
"1371734"	939.646124	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H-2H2O"	-35.012676
"1387409"	957.6561	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H-H2O"	-17.0027
"283809"	1950.324876	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+H"	1.007276
"676219"	2924.983676	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+H"	1.007276
"1351840"	975.666076	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H"	1.007276
"125814"	975.666076	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+2H"	2.014552
"566150"	1462.995476	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+2H"	2.014552
"1038198"	488.336676	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2H"	2.014552
"209029"	650.779809333333	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+3H"	3.021828
"652965"	975.666076	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+3H"	3.021828
"1176561"	325.893542666667	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+3H"	3.021828
"437646"	1967.351423	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+NH4"	18.033823
"797548"	2942.010223	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+NH4"	18.033823
"1695704"	992.692623	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+NH4"	18.033823
"343619"	984.1793495	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+H+NH4"	19.041099
"736040"	1471.5087495	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+H+NH4"	19.041099
"1491196"	496.8499495	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H+NH4"	19.041099
"400522"	1972.306818	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+Na"	22.989218
"761516"	2946.965618	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+Na"	22.989218
"1607425"	997.648018	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Na"	22.989218
"325119"	986.657047	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+H+Na"	23.996494
"717549"	1473.986447	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+H+Na"	23.996494
"1463714"	499.327647	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H+Na"	23.996494
"1060241"	333.220856666667	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2H+Na"	25.00377
"1267385"	1007.692286	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+CH3OH+H"	33.033486
"385960"	1988.280758	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+K"	38.963158
"751327"	2962.939558	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+K"	38.963158
"1552284"	1013.621958	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+K"	38.963158
"312619"	994.644017	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+H+K"	39.970434
"699695"	1481.973417	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+H+K"	39.970434
"1450236"	507.314617	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H+K"	39.970434
"241023"	1991.351426	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+ACN+H"	42.033826
"1213731"	1016.692626	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+ACN+H"	42.033826
"1195064"	508.849951	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+ACN+2H"	43.041102
"190846"	1994.28876	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+2Na-H"	44.97116
"629316"	2968.94756	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+2Na-H"	44.97116
"1131727"	1019.62996	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2Na-H"	44.97116
"174288"	997.648018	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+2Na"	45.978436
"612825"	1484.977418	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+2Na"	45.978436
"1116268"	510.318618	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2Na"	45.978436
"1399064"	340.548170666667	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H+2Na"	46.985712
"1434827"	1021.671546	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H+HCOOH"	47.012746
"223064"	1002.68104	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+3H2O+2H"	56.04448
"1516600"	1035.72359	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+IsoProp+H"	61.06479
"412640"	1005.634988	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+Na+K"	61.952376
"777280"	1492.964388	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+Na+K"	61.952376
"1668142"	518.305588	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Na+K"	61.952376
"253930"	2013.333368	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+ACN+Na"	64.015768
"1228461"	1038.674568	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+ACN+Na"	64.015768
"1717350"	1038.698093	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+NH4+HCOOH"	64.039293
"1187081"	347.875484666667	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+3Na"	68.967654
"1659164"	1043.653488	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Na+HCOOH"	68.994688
"168210"	2026.23664	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+2K-H"	76.91904
"604489"	3000.89544	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+2K-H"	76.91904
"1092284"	1051.57784	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2K-H"	76.91904
"148007"	1013.621958	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"2M+2K"	77.926316
"590847"	1500.951358	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"3M+2K"	77.926316
"1073539"	526.292558	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2K"	77.926316
"1105654"	1053.592392	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2K+H"	78.933592
"1341674"	1053.680007	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+DMSO+H"	79.021207
"1010207"	1057.719176	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2ACN+H"	83.060376
"1528332"	1058.712808	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+IsoProp+Na+H"	84.054008
"992594"	529.363226	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+2ACN+2H"	84.067652
"1591473"	1059.627428	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+K+HCOOH"	84.968628
"1418229"	1089.658938	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+H+CF3COOH"	115.000138
"1147783"	549.876501	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+3ACN+2H"	125.094202
"1697701"	1106.685485	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+NH4+CF3COOH"	132.026685
"1634811"	1111.64088	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+Na+CF3COOH"	136.98208
"1571920"	1127.61482	"C20642"	"1-Archaetidyl-1D-myo-inositol 3-phosphate;1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;Archaetidylinositol phosphate"	"C49H100O14P2"	"974.6588"	"M+K+CF3COOH"	152.95602
"815047"	243.1623	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M"	0
"983111"	224.14391	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-H2O-H"	-19.01839
"65886"	161.100924	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M-3H"	-3.021828
"510916"	242.155024	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M-3H"	-3.021828
"887623"	80.046824	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-3H"	-3.021828
"2917"	242.155024	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M-2H"	-2.014552
"443568"	363.736174	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M-2H"	-2.014552
"829030"	120.573874	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-2H"	-2.014552
"89020"	485.317324	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M-H"	-1.007276
"519107"	728.479624	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M-H"	-1.007276
"897639"	242.155024	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-H"	-1.007276
"47160"	502.343871	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M-2H+NH4"	16.019271
"488300"	745.506171	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M-2H+NH4"	16.019271
"864474"	259.181571	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-2H+NH4"	16.019271
"31686"	507.299266	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M-2H+Na"	20.974666
"471688"	750.461566	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M-2H+Na"	20.974666
"848571"	264.136966	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-2H+Na"	20.974666
"1620893"	264.136966	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Na-2H"	20.974666
"94666"	260.143363	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M-H+Cl"	33.962126
"534832"	381.724513	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M-H+Cl"	33.962126
"927078"	138.562213	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-H+Cl"	33.962126
"267133"	521.294002	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+Cl"	34.969402
"660137"	764.456302	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+Cl"	34.969402
"1272949"	278.131702	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Cl"	34.969402
"16071"	523.273206	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M-2H+K"	36.948606
"455699"	766.435506	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M-2H+K"	36.948606
"833155"	280.110906	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-2H+K"	36.948606
"1560576"	280.110906	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+K-2H"	36.948606
"946277"	288.160494	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-H+HCOOH"	44.998194
"365588"	531.322801	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+HCOOH-H"	44.998201
"349471"	545.338451	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+Hac-H"	59.013851
"1495387"	302.176151	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Hac-H"	59.013851
"960742"	310.142451	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-H+NaCOOH"	66.980151
"115843"	278.131702	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+2Cl"	69.938804
"556498"	399.712852	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+2Cl"	69.938804
"1030769"	156.550552	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2Cl"	69.938804
"1251441"	322.081185	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Br"	78.918885
"1304453"	324.137172	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Cl+HCOOH"	80.974872
"1321547"	346.119129	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Cl+NaCOOH"	102.956829
"916978"	356.147886	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M-H+CF3COOH"	112.985586
"1292226"	392.124564	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Cl+CF3COOH"	148.962264
"1371844"	208.149624	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H-2H2O"	-35.012676
"1387883"	226.1596	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H-H2O"	-17.0027
"283674"	487.331876	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+H"	1.007276
"676045"	730.494176	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+H"	1.007276
"1351423"	244.169576	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H"	1.007276
"126905"	244.169576	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+2H"	2.014552
"566218"	365.750726	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+2H"	2.014552
"1037936"	122.588426	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2H"	2.014552
"209135"	163.115476	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+3H"	3.021828
"650888"	244.169576	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+3H"	3.021828
"1176307"	82.061376	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+3H"	3.021828
"434476"	504.358423	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+NH4"	18.033823
"797294"	747.520723	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+NH4"	18.033823
"1696057"	261.196123	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+NH4"	18.033823
"344094"	252.6828495	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+H+NH4"	19.041099
"737608"	374.2639995	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+H+NH4"	19.041099
"1491185"	131.1016995	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H+NH4"	19.041099
"400632"	509.313818	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+Na"	22.989218
"762719"	752.476118	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+Na"	22.989218
"1609722"	266.151518	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Na"	22.989218
"325227"	255.160547	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+H+Na"	23.996494
"713286"	376.741697	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+H+Na"	23.996494
"1470387"	133.579397	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H+Na"	23.996494
"1061443"	89.38869	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2H+Na"	25.00377
"1265308"	276.195786	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+CH3OH+H"	33.033486
"388254"	525.287758	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+K"	38.963158
"751437"	768.450058	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+K"	38.963158
"1545834"	282.125458	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+K"	38.963158
"307383"	263.147517	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+H+K"	39.970434
"698712"	384.728667	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+H+K"	39.970434
"1451440"	141.566367	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H+K"	39.970434
"238947"	528.358426	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+ACN+H"	42.033826
"1210438"	285.196126	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+ACN+H"	42.033826
"1194809"	143.101701	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+ACN+2H"	43.041102
"190229"	531.29576	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+2Na-H"	44.97116
"628942"	774.45806	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+2Na-H"	44.97116
"1132200"	288.13346	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2Na-H"	44.97116
"173669"	266.151518	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+2Na"	45.978436
"613188"	387.732668	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+2Na"	45.978436
"1116246"	144.570368	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2Na"	45.978436
"1398796"	96.716004	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H+2Na"	46.985712
"1430310"	290.175046	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H+HCOOH"	47.012746
"220987"	271.18454	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+3H2O+2H"	56.04448
"1511607"	304.22709	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+IsoProp+H"	61.06479
"411657"	274.138488	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+Na+K"	61.952376
"777390"	395.719638	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+Na+K"	61.952376
"1667888"	152.557338	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Na+K"	61.952376
"252946"	550.340368	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+ACN+Na"	64.015768
"1227843"	307.178068	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+ACN+Na"	64.015768
"1716001"	307.201593	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+NH4+HCOOH"	64.039293
"1187191"	104.043318	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+3Na"	68.967654
"1659274"	312.156988	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Na+HCOOH"	68.994688
"163944"	563.24364	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+2K-H"	76.91904
"606786"	806.40594	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+2K-H"	76.91904
"1095674"	320.08134	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2K-H"	76.91904
"150304"	282.125458	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"2M+2K"	77.926316
"589864"	403.706608	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"3M+2K"	77.926316
"1075472"	160.544308	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2K"	77.926316
"1106493"	322.095892	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2K+H"	78.933592
"1342879"	322.183507	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+DMSO+H"	79.021207
"1010317"	326.222676	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2ACN+H"	83.060376
"1527348"	327.216308	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+IsoProp+Na+H"	84.054008
"991609"	163.614976	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+2ACN+2H"	84.067652
"1590488"	328.130928	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+K+HCOOH"	84.968628
"1416153"	358.162438	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+H+CF3COOH"	115.000138
"1147407"	184.128251	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+3ACN+2H"	125.094202
"1697566"	375.188985	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+NH4+CF3COOH"	132.026685
"1634922"	380.14438	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+Na+CF3COOH"	136.98208
"1572394"	396.11832	"C20643"	"2-Heptyl-4(1H)-quinolone;2-Heptyl-4-quinolone;2-Heptyl-4-hydroxyquinoline"	"C16H21NO"	"243.1623"	"M+K+CF3COOH"	152.95602
"815521"	287.0406	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M"	0
"983221"	268.02221	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-H2O-H"	-19.01839
"69276"	190.353124	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M-3H"	-3.021828
"513212"	286.033324	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M-3H"	-3.021828
"888826"	94.672924	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-3H"	-3.021828
"3027"	286.033324	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M-2H"	-2.014552
"442585"	429.553624	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M-2H"	-2.014552
"830963"	142.513024	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-2H"	-2.014552
"89130"	573.073924	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M-H"	-1.007276
"519823"	860.114524	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M-H"	-1.007276
"897749"	286.033324	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-H"	-1.007276
"47511"	590.100471	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M-2H+NH4"	16.019271
"489503"	877.141071	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M-2H+NH4"	16.019271
"864987"	303.059871	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-2H+NH4"	16.019271
"32408"	595.055866	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M-2H+Na"	20.974666
"473667"	882.096466	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M-2H+Na"	20.974666
"848877"	308.015266	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-2H+Na"	20.974666
"1625377"	308.015266	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Na-2H"	20.974666
"98624"	304.021663	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M-H+Cl"	33.962126
"535996"	447.541963	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M-H+Cl"	33.962126
"927570"	160.501363	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-H+Cl"	33.962126
"267827"	609.050602	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+Cl"	34.969402
"660490"	896.091202	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+Cl"	34.969402
"1273022"	322.010002	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Cl"	34.969402
"16423"	611.029806	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M-2H+K"	36.948606
"455940"	898.070406	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M-2H+K"	36.948606
"835009"	323.989206	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-2H+K"	36.948606
"1557041"	323.989206	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+K-2H"	36.948606
"947476"	332.038794	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-H+HCOOH"	44.998194
"364238"	619.079401	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+HCOOH-H"	44.998201
"346660"	633.095051	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+Hac-H"	59.013851
"1495127"	346.054451	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Hac-H"	59.013851
"960118"	354.020751	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-H+NaCOOH"	66.980151
"112305"	322.010002	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+2Cl"	69.938804
"552230"	465.530302	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+2Cl"	69.938804
"1031973"	178.489702	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2Cl"	69.938804
"1252281"	365.959485	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Br"	78.918885
"1307075"	368.015472	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Cl+HCOOH"	80.974872
"1323475"	389.997429	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Cl+NaCOOH"	102.956829
"913440"	400.026186	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M-H+CF3COOH"	112.985586
"1293065"	436.002864	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Cl+CF3COOH"	148.962264
"1371225"	252.027924	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H-2H2O"	-35.012676
"1386900"	270.0379	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H-H2O"	-17.0027
"284396"	575.088476	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+H"	1.007276
"675961"	862.129076	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+H"	1.007276
"1351327"	288.047876	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H"	1.007276
"125706"	288.047876	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+2H"	2.014552
"565670"	431.568176	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+2H"	2.014552
"1037556"	144.527576	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2H"	2.014552
"211432"	192.367676	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+3H"	3.021828
"653185"	288.047876	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+3H"	3.021828
"1177510"	96.687476	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+3H"	3.021828
"437866"	592.115023	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+NH4"	18.033823
"798861"	879.155623	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+NH4"	18.033823
"1696531"	305.074423	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+NH4"	18.033823
"345058"	296.5611495	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+H+NH4"	19.041099
"738336"	440.0814495	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+H+NH4"	19.041099
"1491903"	153.0408495	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H+NH4"	19.041099
"402928"	597.070418	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+Na"	22.989218
"761735"	884.111018	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+Na"	22.989218
"1614206"	310.029818	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Na"	22.989218
"329105"	299.038847	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+H+Na"	23.996494
"715581"	442.559147	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+H+Na"	23.996494
"1469402"	155.518547	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H+Na"	23.996494
"1062648"	104.01479	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2H+Na"	25.00377
"1268698"	320.074086	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+CH3OH+H"	33.033486
"387271"	613.044358	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+K"	38.963158
"753493"	900.084958	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+K"	38.963158
"1549224"	326.003758	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+K"	38.963158
"306399"	307.025817	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+H+K"	39.970434
"698819"	450.546117	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+H+K"	39.970434
"1453738"	163.505517	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H+K"	39.970434
"241244"	616.115026	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+ACN+H"	42.033826
"1212859"	329.074426	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+ACN+H"	42.033826
"1198931"	165.040851	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+ACN+2H"	43.041102
"189369"	619.05236	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+2Na-H"	44.97116
"629048"	906.09296	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+2Na-H"	44.97116
"1132679"	332.01176	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2Na-H"	44.97116
"173456"	310.029818	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+2Na"	45.978436
"615532"	453.550118	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+2Na"	45.978436
"1116601"	166.509518	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2Na"	45.978436
"1399277"	111.342104	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H+2Na"	46.985712
"1430175"	334.053346	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H+HCOOH"	47.012746
"221817"	315.06284	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+3H2O+2H"	56.04448
"1516820"	348.10539	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+IsoProp+H"	61.06479
"419786"	318.016788	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+Na+K"	61.952376
"775313"	461.537088	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+Na+K"	61.952376
"1671644"	174.496488	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Na+K"	61.952376
"253058"	638.096968	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+ACN+Na"	64.015768
"1226493"	351.056368	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+ACN+Na"	64.015768
"1715384"	351.079893	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+NH4+HCOOH"	64.039293
"1187301"	118.669418	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+3Na"	68.967654
"1660476"	356.035288	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Na+HCOOH"	68.994688
"164054"	651.00024	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+2K-H"	76.91904
"606895"	938.04084	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+2K-H"	76.91904
"1097729"	363.95964	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2K-H"	76.91904
"154787"	326.003758	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"2M+2K"	77.926316
"592161"	469.524058	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"3M+2K"	77.926316
"1074489"	182.483458	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2K"	77.926316
"1109884"	365.974192	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2K+H"	78.933592
"1346269"	366.061807	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+DMSO+H"	79.021207
"1014801"	370.100976	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2ACN+H"	83.060376
"1526364"	371.094608	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+IsoProp+Na+H"	84.054008
"990868"	185.554126	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+2ACN+2H"	84.067652
"1588411"	372.009228	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+K+HCOOH"	84.968628
"1417356"	402.040738	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+H+CF3COOH"	115.000138
"1147311"	206.067401	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+3ACN+2H"	125.094202
"1698043"	419.067285	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+NH4+CF3COOH"	132.026685
"1634207"	424.02268	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+Na+CF3COOH"	136.98208
"1572139"	439.99662	"C20644"	"2-Amino-45-dihydroxy-6-oxo-7-(phosphooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate;2-Amino-45-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid;2-Amino-45-dihydroxy-6-one-heptanoic acid-7-phosphate"	"C7H14NO9P"	"287.0406"	"M+K+CF3COOH"	152.95602
"814902"	136.0524	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M"	0
"983331"	117.03401	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"70479"	89.694324	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"514415"	135.045124	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"888936"	44.343524	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"3137"	135.045124	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"442695"	203.071324	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"828886"	67.018924	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"89240"	271.097524	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"520056"	407.149924	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"897859"	135.045124	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"51144"	288.124071	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"487663"	424.176471	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"865953"	152.071671	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"32152"	293.079466	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"472030"	429.131866	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"849149"	157.027066	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1625487"	157.027066	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"97641"	153.033463	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"535012"	221.059663	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"928901"	85.007263	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"268669"	307.074202	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"661576"	443.126602	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1275073"	171.021802	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"16002"	309.053406	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"456212"	445.105806	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"836577"	173.001006	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1561525"	173.001006	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"950870"	181.050594	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"363621"	317.103001	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"348232"	331.118651	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1496337"	195.066251	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"962052"	203.032551	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"111321"	171.021802	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"552340"	239.048002	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1030990"	102.995602	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1248380"	214.971285	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1309006"	217.027272	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1323588"	239.009229	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"914646"	249.037986	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1289895"	285.014664	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1370243"	101.039724	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1383728"	119.0497	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"283535"	273.112076	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"675757"	409.164476	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1351439"	137.059676	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"125876"	137.059676	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"565952"	205.085876	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1037908"	69.033476	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"207168"	91.708876	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"653295"	137.059676	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1177377"	46.358076	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"438341"	290.138623	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"798971"	426.191023	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1695670"	154.086223	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"345414"	145.5729495	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"738354"	213.5991495	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1492527"	77.5467495	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"403037"	295.094018	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"764031"	431.146418	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1618206"	159.041618	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"329459"	148.050647	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"717879"	216.076847	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1470605"	80.024447	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1064943"	53.68539	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1270993"	169.085886	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"388474"	311.067958	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"750564"	447.120358	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1547147"	175.015558	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"305415"	156.037617	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"695650"	224.063817	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1457128"	88.011417	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"239167"	314.138626	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1212969"	178.086226	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1197947"	89.546751	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"189358"	317.07596	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"628919"	453.12836	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1134610"	181.02356	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"173770"	159.041618	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"614425"	227.067818	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1115860"	91.015418	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1399143"	61.012704	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1430649"	183.065146	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"220011"	164.07464	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1518024"	197.11719	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"422083"	167.028588	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"775423"	235.054788	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1672847"	99.002388	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"255355"	336.120568	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1226969"	200.068168	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1717680"	200.091693	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1187411"	68.340018	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1661679"	205.047088	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"163071"	349.02384	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"607005"	485.07624	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1091519"	212.97144	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"153804"	175.015558	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"590084"	243.041758	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1074599"	106.989358	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1106714"	214.985992	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1339818"	215.073607	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1011631"	219.112776	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1527568"	220.106408	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"991464"	110.060026	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1587790"	221.021028	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1417466"	251.052538	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1147506"	130.573301	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1699125"	268.079085	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1635142"	273.03448	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1572979"	289.00842	"C20645"	"Methyl benzoate"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"815012"	178.063	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M"	0
"986722"	159.04461	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-H2O-H"	-19.01839
"72777"	117.701390666667	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M-3H"	-3.021828
"512339"	177.055724	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M-3H"	-3.021828
"884673"	58.3470573333333	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-3H"	-3.021828
"452"	177.055724	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M-2H"	-2.014552
"440983"	266.087224	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M-2H"	-2.014552
"827173"	88.024224	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-2H"	-2.014552
"86070"	355.118724	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M-H"	-1.007276
"519315"	533.181724	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M-H"	-1.007276
"897969"	177.055724	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-H"	-1.007276
"48095"	372.145271	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M-2H+NH4"	16.019271
"488260"	550.208271	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M-2H+NH4"	16.019271
"865092"	194.082271	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-2H+NH4"	16.019271
"32262"	377.100666	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M-2H+Na"	20.974666
"471398"	555.163666	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M-2H+Na"	20.974666
"854971"	199.037666	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-2H+Na"	20.974666
"1622318"	199.037666	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Na-2H"	20.974666
"94313"	195.044063	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M-H+Cl"	33.962126
"534324"	284.075563	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M-H+Cl"	33.962126
"929011"	106.012563	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-H+Cl"	33.962126
"267807"	391.095402	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+Cl"	34.969402
"660714"	569.158402	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+Cl"	34.969402
"1273193"	213.032402	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Cl"	34.969402
"16198"	393.074606	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M-2H+K"	36.948606
"455922"	571.137606	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M-2H+K"	36.948606
"836685"	215.011606	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-2H+K"	36.948606
"1557991"	215.011606	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+K-2H"	36.948606
"947700"	223.061194	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-H+HCOOH"	44.998194
"364459"	401.124201	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+HCOOH-H"	44.998201
"349801"	415.139851	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+Hac-H"	59.013851
"1497540"	237.076851	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Hac-H"	59.013851
"960706"	245.043151	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-H+NaCOOH"	66.980151
"110456"	213.032402	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+2Cl"	69.938804
"552450"	302.063902	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+2Cl"	69.938804
"1032194"	124.000902	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2Cl"	69.938804
"1246305"	256.981885	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Br"	78.918885
"1312033"	259.037872	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Cl+HCOOH"	80.974872
"1331353"	281.019829	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Cl+NaCOOH"	102.956829
"912569"	291.048586	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M-H+CF3COOH"	112.985586
"1289276"	327.025264	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Cl+CF3COOH"	148.962264
"1370353"	143.050324	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H-2H2O"	-35.012676
"1383838"	161.0603	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H-H2O"	-17.0027
"284252"	357.133276	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+H"	1.007276
"675890"	535.196276	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+H"	1.007276
"1351547"	179.070276	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H"	1.007276
"125854"	179.070276	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+2H"	2.014552
"565981"	268.101776	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+2H"	2.014552
"1038021"	90.038776	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2H"	2.014552
"204325"	119.715942666667	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+3H"	3.021828
"653405"	179.070276	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+3H"	3.021828
"1177977"	60.3616093333333	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+3H"	3.021828
"438815"	374.159823	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+NH4"	18.033823
"797988"	552.222823	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+NH4"	18.033823
"1695781"	196.096823	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+NH4"	18.033823
"342963"	187.5835495	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+H+NH4"	19.041099
"738350"	276.6150495	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+H+NH4"	19.041099
"1492615"	98.5520495	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H+NH4"	19.041099
"402056"	379.115218	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+Na"	22.989218
"761955"	557.178218	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+Na"	22.989218
"1615520"	201.052218	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Na"	22.989218
"329203"	190.061247	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+H+Na"	23.996494
"716896"	279.092747	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+H+Na"	23.996494
"1468528"	101.029747	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H+Na"	23.996494
"1065055"	67.6889233333333	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2H+Na"	25.00377
"1268921"	211.096486	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+CH3OH+H"	33.033486
"387491"	395.089158	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+K"	38.963158
"749581"	573.152158	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+K"	38.963158
"1545071"	217.026158	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+K"	38.963158
"305525"	198.048217	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+H+K"	39.970434
"695760"	287.079717	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+H+K"	39.970434
"1455052"	109.016717	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H+K"	39.970434
"240371"	398.159826	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+ACN+H"	42.033826
"1213079"	220.096826	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+ACN+H"	42.033826
"1195261"	110.552051	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+ACN+2H"	43.041102
"189346"	401.09716	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+2Na-H"	44.97116
"628742"	579.16016	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+2Na-H"	44.97116
"1132533"	223.03416	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2Na-H"	44.97116
"174366"	201.052218	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+2Na"	45.978436
"613084"	290.083718	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+2Na"	45.978436
"1115804"	112.020718	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2Na"	45.978436
"1399009"	75.0162373333333	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H+2Na"	46.985712
"1430234"	225.075746	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H+HCOOH"	47.012746
"223495"	206.08524	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+3H2O+2H"	56.04448
"1512667"	239.12779	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+IsoProp+H"	61.06479
"418913"	209.039188	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+Na+K"	61.952376
"777721"	298.070688	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+Na+K"	61.952376
"1670770"	120.007688	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Na+K"	61.952376
"257287"	420.141768	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+ACN+Na"	64.015768
"1228537"	242.078768	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+ACN+Na"	64.015768
"1714019"	242.102293	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+NH4+HCOOH"	64.039293
"1186426"	82.3435513333333	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+3Na"	68.967654
"1663975"	247.057688	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Na+HCOOH"	68.994688
"163181"	433.04504	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+2K-H"	76.91904
"609303"	611.10804	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+2K-H"	76.91904
"1092722"	254.98204	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2K-H"	76.91904
"151726"	217.026158	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"2M+2K"	77.926316
"590194"	306.057658	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"3M+2K"	77.926316
"1073616"	127.994658	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2K"	77.926316
"1106825"	256.996592	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2K+H"	78.933592
"1341021"	257.084207	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+DMSO+H"	79.021207
"1011741"	261.123376	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2ACN+H"	83.060376
"1526585"	262.117008	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+IsoProp+Na+H"	84.054008
"990845"	131.065326	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+2ACN+2H"	84.067652
"1588265"	263.031628	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+K+HCOOH"	84.968628
"1414305"	293.063138	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+H+CF3COOH"	115.000138
"1148951"	151.578601	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+3ACN+2H"	125.094202
"1698871"	310.089685	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+NH4+CF3COOH"	132.026685
"1634644"	315.04508	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+Na+CF3COOH"	136.98208
"1572360"	331.01902	"C20646"	"(3S)-2-Oxo-3-phenylbutanoate;(3S)-beta-Methylphenylpyruvate"	"C10H10O3"	"178.063"	"M+K+CF3COOH"	152.95602
"801634"	163.0593	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M"	0
"974684"	144.04091	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H2O-H"	-19.01839
"66327"	107.698924	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-3H"	-3.021828
"513543"	162.052024	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-3H"	-3.021828
"894385"	53.345824	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-3H"	-3.021828
"9558"	162.052024	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H"	-2.014552
"452769"	243.581674	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H"	-2.014552
"821824"	80.522374	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H"	-2.014552
"79870"	325.111324	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-H"	-1.007276
"520158"	488.170624	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-H"	-1.007276
"899179"	162.052024	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H"	-1.007276
"48085"	342.137871	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H+NH4"	16.019271
"487888"	505.197171	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H+NH4"	16.019271
"865448"	179.078571	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H+NH4"	16.019271
"33348"	347.093266	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H+Na"	20.974666
"471483"	510.152566	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H+Na"	20.974666
"849614"	184.033966	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H+Na"	20.974666
"1626811"	184.033966	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na-2H"	20.974666
"98236"	180.040363	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-H+Cl"	33.962126
"534594"	261.570013	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-H+Cl"	33.962126
"927662"	98.510713	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+Cl"	33.962126
"267149"	361.088002	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Cl"	34.969402
"660087"	524.147302	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+Cl"	34.969402
"1275426"	198.028702	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl"	34.969402
"22358"	363.067206	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M-2H+K"	36.948606
"457543"	526.126506	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M-2H+K"	36.948606
"841912"	200.007906	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-2H+K"	36.948606
"1567586"	200.007906	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K-2H"	36.948606
"951097"	208.057494	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+HCOOH"	44.998194
"367124"	371.116801	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+HCOOH-H"	44.998201
"351007"	385.132451	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Hac-H"	59.013851
"1499840"	222.073151	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Hac-H"	59.013851
"971759"	230.039451	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+NaCOOH"	66.980151
"121759"	198.028702	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2Cl"	69.938804
"556946"	279.558352	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2Cl"	69.938804
"1036194"	116.499052	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2Cl"	69.938804
"1244231"	241.978185	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Br"	78.918885
"1307041"	244.034172	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl+HCOOH"	80.974872
"1323080"	266.016129	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl+NaCOOH"	102.956829
"912679"	276.044886	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M-H+CF3COOH"	112.985586
"1288818"	312.021564	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Cl+CF3COOH"	148.962264
"1367546"	128.046624	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H-2H2O"	-35.012676
"1384312"	146.0566	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H-H2O"	-17.0027
"286186"	327.125876	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H"	1.007276
"675683"	490.185176	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H"	1.007276
"1351828"	164.066576	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H"	1.007276
"127847"	164.066576	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2H"	2.014552
"568501"	245.596226	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2H"	2.014552
"1046057"	82.536926	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2H"	2.014552
"217239"	109.713476	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+3H"	3.021828
"657892"	164.066576	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+3H"	3.021828
"1176748"	55.360376	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+3H"	3.021828
"438078"	344.152423	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+NH4"	18.033823
"800044"	507.211723	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+NH4"	18.033823
"1695900"	181.093123	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+NH4"	18.033823
"344053"	172.5798495	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H+NH4"	19.041099
"732946"	254.1094995	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H+NH4"	19.041099
"1488954"	91.0501995	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+NH4"	19.041099
"403257"	349.107818	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Na"	22.989218
"767546"	512.167118	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+Na"	22.989218
"1613457"	186.048518	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na"	22.989218
"324585"	175.057547	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H+Na"	23.996494
"718098"	256.587197	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H+Na"	23.996494
"1470825"	93.527897	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+Na"	23.996494
"1059696"	62.68769	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2H+Na"	25.00377
"1269029"	196.092786	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+CH3OH+H"	33.033486
"386510"	365.081758	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+K"	38.963158
"751880"	528.141058	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+K"	38.963158
"1550649"	202.022458	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K"	38.963158
"304545"	183.044517	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+H+K"	39.970434
"696966"	264.574167	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+H+K"	39.970434
"1449691"	101.514867	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+K"	39.970434
"235793"	368.152426	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+ACN+H"	42.033826
"1209947"	205.093126	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+ACN+H"	42.033826
"1195984"	103.050201	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+ACN+2H"	43.041102
"188630"	371.08976	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2Na-H"	44.97116
"628602"	534.14906	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2Na-H"	44.97116
"1131796"	208.03046	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2Na-H"	44.97116
"173136"	186.048518	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2Na"	45.978436
"612816"	267.578168	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2Na"	45.978436
"1115877"	104.518868	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2Na"	45.978436
"1410559"	70.015004	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+2Na"	46.985712
"1440489"	210.072046	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+HCOOH"	47.012746
"225809"	191.08154	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+3H2O+2H"	56.04448
"1511684"	224.12409	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+IsoProp+H"	61.06479
"413557"	194.035488	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+Na+K"	61.952376
"777831"	275.565138	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+Na+K"	61.952376
"1671975"	112.505838	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na+K"	61.952376
"259589"	390.134368	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+ACN+Na"	64.015768
"1232298"	227.075068	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+ACN+Na"	64.015768
"1725559"	227.098593	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+NH4+HCOOH"	64.039293
"1187633"	77.342318	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+3Na"	68.967654
"1659712"	232.053988	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na+HCOOH"	68.994688
"164389"	403.03764	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2K-H"	76.91904
"605044"	566.09694	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2K-H"	76.91904
"1092839"	239.97834	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2K-H"	76.91904
"147468"	202.022458	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"2M+2K"	77.926316
"588122"	283.552108	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"3M+2K"	77.926316
"1072635"	120.492808	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2K"	77.926316
"1103658"	241.992892	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2K+H"	78.933592
"1336396"	242.080507	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+DMSO+H"	79.021207
"1012954"	246.119676	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2ACN+H"	83.060376
"1532172"	247.113308	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+IsoProp+Na+H"	84.054008
"996432"	123.563476	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+2ACN+2H"	84.067652
"1598589"	248.027928	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K+HCOOH"	84.968628
"1416592"	278.059438	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+H+CF3COOH"	115.000138
"1151255"	144.076751	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+3ACN+2H"	125.094202
"1700075"	295.085985	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+NH4+CF3COOH"	132.026685
"1637548"	300.04138	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+Na+CF3COOH"	136.98208
"1586325"	316.01532	"C20651"	"O-Ureido-D-serine;(2R)-2-Amino-3-(carbamoylamino)oxypropanoate;(2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid"	"C4H9N3O4"	"163.0593"	"M+K+CF3COOH"	152.95602
"810132"	224.0685	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M"	0
"977104"	205.05011	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H2O-H"	-19.01839
"66439"	148.371724	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-3H"	-3.021828
"515840"	223.061224	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-3H"	-3.021828
"889269"	73.682224	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-3H"	-3.021828
"7851"	223.061224	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H"	-2.014552
"443040"	335.095474	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H"	-2.014552
"820840"	111.026974	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H"	-2.014552
"79006"	447.129724	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-H"	-1.007276
"520027"	671.198224	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-H"	-1.007276
"895921"	223.061224	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H"	-1.007276
"47829"	464.156271	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H+NH4"	16.019271
"489942"	688.224771	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H+NH4"	16.019271
"864822"	240.087771	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H+NH4"	16.019271
"32116"	469.111666	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H+Na"	20.974666
"472285"	693.180166	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H+Na"	20.974666
"857391"	245.043166	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H+Na"	20.974666
"1624006"	245.043166	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na-2H"	20.974666
"94820"	241.049563	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-H+Cl"	33.962126
"534253"	353.083813	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-H+Cl"	33.962126
"927188"	129.015313	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+Cl"	33.962126
"269248"	483.106402	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Cl"	34.969402
"669698"	707.174902	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+Cl"	34.969402
"1281008"	259.037902	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl"	34.969402
"20283"	485.085606	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H+K"	36.948606
"465316"	709.154106	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H+K"	36.948606
"844210"	261.017106	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H+K"	36.948606
"1566605"	261.017106	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K-2H"	36.948606
"953394"	269.066694	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+HCOOH"	44.998194
"368329"	493.135201	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+HCOOH-H"	44.998201
"354400"	507.150851	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Hac-H"	59.013851
"1497768"	283.082351	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Hac-H"	59.013851
"968589"	291.048651	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+NaCOOH"	66.980151
"112393"	259.037902	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2Cl"	69.938804
"551953"	371.072152	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2Cl"	69.938804
"1022573"	147.003652	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2Cl"	69.938804
"1241622"	302.987385	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Br"	78.918885
"1305692"	305.043372	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl+HCOOH"	80.974872
"1319991"	327.025329	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl+NaCOOH"	102.956829
"911395"	337.054086	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+CF3COOH"	112.985586
"1288504"	373.030764	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl+CF3COOH"	148.962264
"1367653"	189.055824	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H-2H2O"	-35.012676
"1384054"	207.0658	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H-H2O"	-17.0027
"283137"	449.144276	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H"	1.007276
"676282"	673.212776	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H"	1.007276
"1352885"	225.075776	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H"	1.007276
"131241"	225.075776	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2H"	2.014552
"579802"	337.110026	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2H"	2.014552
"1046170"	113.041526	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2H"	2.014552
"211884"	150.386276	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+3H"	3.021828
"657763"	225.075776	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+3H"	3.021828
"1177351"	75.696776	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+3H"	3.021828
"436851"	466.170823	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+NH4"	18.033823
"797125"	690.239323	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+NH4"	18.033823
"1694913"	242.102323	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+NH4"	18.033823
"343433"	233.5890495	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H+NH4"	19.041099
"734152"	345.6232995	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H+NH4"	19.041099
"1486877"	121.5547995	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+NH4"	19.041099
"402285"	471.126218	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Na"	22.989218
"761094"	695.194718	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+Na"	22.989218
"1610285"	247.057718	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na"	22.989218
"323602"	236.066747	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H+Na"	23.996494
"718208"	348.100997	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H+Na"	23.996494
"1467655"	124.032497	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+Na"	23.996494
"1060900"	83.02409	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2H+Na"	25.00377
"1261484"	257.101986	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+CH3OH+H"	33.033486
"384433"	487.100158	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+K"	38.963158
"742147"	711.168658	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+K"	38.963158
"1543105"	263.031658	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K"	38.963158
"299917"	244.053717	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H+K"	39.970434
"693432"	356.087967	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H+K"	39.970434
"1446891"	132.019467	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+K"	39.970434
"238046"	490.170826	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+ACN+H"	42.033826
"1211847"	266.102326	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+ACN+H"	42.033826
"1199376"	133.554801	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+ACN+2H"	43.041102
"190060"	493.10816	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2Na-H"	44.97116
"629614"	717.17666	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2Na-H"	44.97116
"1132271"	269.03966	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2Na-H"	44.97116
"176051"	247.057718	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2Na"	45.978436
"617070"	359.091968	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2Na"	45.978436
"1128972"	135.023468	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2Na"	45.978436
"1412131"	90.351404	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+2Na"	46.985712
"1439506"	271.081246	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+HCOOH"	47.012746
"225919"	252.09074	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+3H2O+2H"	56.04448
"1510701"	285.13329	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+IsoProp+H"	61.06479
"412210"	255.044688	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Na+K"	61.952376
"773935"	367.078938	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+Na+K"	61.952376
"1670993"	143.010438	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na+K"	61.952376
"257514"	512.152768	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+ACN+Na"	64.015768
"1231317"	288.084268	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+ACN+Na"	64.015768
"1716194"	288.107793	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+NH4+HCOOH"	64.039293
"1180210"	97.678718	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+3Na"	68.967654
"1655446"	293.063188	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na+HCOOH"	68.994688
"161215"	525.05604	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2K-H"	76.91904
"605155"	749.12454	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2K-H"	76.91904
"1085049"	300.98754	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2K-H"	76.91904
"147578"	263.031658	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2K"	77.926316
"588230"	375.065908	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2K"	77.926316
"1069466"	150.997408	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2K"	77.926316
"1099996"	303.002092	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2K+H"	78.933592
"1339067"	303.089707	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+DMSO+H"	79.021207
"1011971"	307.128876	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2ACN+H"	83.060376
"1527909"	308.122508	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+IsoProp+Na+H"	84.054008
"1002011"	154.068076	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2ACN+2H"	84.067652
"1595419"	309.037128	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K+HCOOH"	84.968628
"1422172"	339.068638	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+CF3COOH"	115.000138
"1152458"	174.581351	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+3ACN+2H"	125.094202
"1698728"	356.095185	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+NH4+CF3COOH"	132.026685
"1643131"	361.05058	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na+CF3COOH"	136.98208
"1577688"	377.02452	"C20653"	"2-Benzylmalic acid;2-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K+CF3COOH"	152.95602
"809149"	224.0685	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M"	0
"984869"	205.05011	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H2O-H"	-19.01839
"75297"	148.371724	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-3H"	-3.021828
"517046"	223.061224	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-3H"	-3.021828
"891569"	73.682224	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-3H"	-3.021828
"11243"	223.061224	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H"	-2.014552
"447524"	335.095474	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H"	-2.014552
"822044"	111.026974	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H"	-2.014552
"92122"	447.129724	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-H"	-1.007276
"521962"	671.198224	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-H"	-1.007276
"897572"	223.061224	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H"	-1.007276
"48303"	464.156271	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H+NH4"	16.019271
"490053"	688.224771	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H+NH4"	16.019271
"865667"	240.087771	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H+NH4"	16.019271
"32836"	469.111666	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H+Na"	20.974666
"474221"	693.180166	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H+Na"	20.974666
"861873"	245.043166	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H+Na"	20.974666
"1628125"	245.043166	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na-2H"	20.974666
"95904"	241.049563	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-H+Cl"	33.962126
"538746"	353.083813	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-H+Cl"	33.962126
"928976"	129.015313	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+Cl"	33.962126
"268996"	483.106402	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Cl"	34.969402
"669808"	707.174902	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+Cl"	34.969402
"1283305"	259.037902	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl"	34.969402
"28047"	485.085606	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M-2H+K"	36.948606
"469438"	709.154106	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M-2H+K"	36.948606
"844322"	261.017106	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-2H+K"	36.948606
"1570363"	261.017106	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K-2H"	36.948606
"954598"	269.066694	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+HCOOH"	44.998194
"372814"	493.135201	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+HCOOH-H"	44.998201
"360707"	507.150851	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Hac-H"	59.013851
"1507723"	283.082351	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Hac-H"	59.013851
"973319"	291.048651	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+NaCOOH"	66.980151
"120887"	259.037902	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2Cl"	69.938804
"556074"	371.072152	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2Cl"	69.938804
"1024144"	147.003652	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2Cl"	69.938804
"1247730"	302.987385	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Br"	78.918885
"1311272"	305.043372	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl+HCOOH"	80.974872
"1325488"	327.025329	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl+NaCOOH"	102.956829
"914360"	337.054086	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M-H+CF3COOH"	112.985586
"1289975"	373.030764	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Cl+CF3COOH"	148.962264
"1367766"	189.055824	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H-2H2O"	-35.012676
"1384536"	207.0658	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H-H2O"	-17.0027
"283975"	449.144276	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H"	1.007276
"676760"	673.212776	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H"	1.007276
"1360650"	225.075776	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H"	1.007276
"137913"	225.075776	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2H"	2.014552
"578949"	337.110026	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2H"	2.014552
"1050653"	113.041526	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2H"	2.014552
"217462"	150.386276	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+3H"	3.021828
"654835"	225.075776	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+3H"	3.021828
"1177824"	75.696776	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+3H"	3.021828
"438297"	466.170823	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+NH4"	18.033823
"799061"	690.239323	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+NH4"	18.033823
"1695883"	242.102323	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+NH4"	18.033823
"345005"	233.5890495	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H+NH4"	19.041099
"737184"	345.6232995	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H+NH4"	19.041099
"1492217"	121.5547995	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+NH4"	19.041099
"406406"	471.126218	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Na"	22.989218
"757924"	695.194718	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+Na"	22.989218
"1613678"	247.057718	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na"	22.989218
"326991"	236.066747	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H+Na"	23.996494
"719780"	348.100997	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H+Na"	23.996494
"1473599"	124.032497	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+Na"	23.996494
"1064293"	83.02409	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2H+Na"	25.00377
"1270344"	257.101986	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+CH3OH+H"	33.033486
"390011"	487.100158	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+K"	38.963158
"748818"	711.168658	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+K"	38.963158
"1545405"	263.031658	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K"	38.963158
"302581"	244.053717	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+H+K"	39.970434
"696095"	356.087967	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+H+K"	39.970434
"1445649"	132.019467	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+K"	39.970434
"242896"	490.170826	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+ACN+H"	42.033826
"1211958"	266.102326	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+ACN+H"	42.033826
"1200583"	133.554801	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+ACN+2H"	43.041102
"193086"	493.10816	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2Na-H"	44.97116
"631552"	717.17666	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2Na-H"	44.97116
"1131688"	269.03966	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2Na-H"	44.97116
"174701"	247.057718	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2Na"	45.978436
"613891"	359.091968	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2Na"	45.978436
"1125070"	135.023468	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2Na"	45.978436
"1407501"	90.351404	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+2Na"	46.985712
"1439616"	271.081246	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+HCOOH"	47.012746
"230405"	252.09074	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+3H2O+2H"	56.04448
"1516280"	285.13329	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+IsoProp+H"	61.06479
"417060"	255.044688	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+Na+K"	61.952376
"778055"	367.078938	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+Na+K"	61.952376
"1675478"	143.010438	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na+K"	61.952376
"261999"	512.152768	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+ACN+Na"	64.015768
"1231427"	288.084268	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+ACN+Na"	64.015768
"1722503"	288.107793	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+NH4+HCOOH"	64.039293
"1186762"	97.678718	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+3Na"	68.967654
"1655560"	293.063188	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na+HCOOH"	68.994688
"159140"	525.05604	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2K-H"	76.91904
"603443"	749.12454	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2K-H"	76.91904
"1087226"	300.98754	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2K-H"	76.91904
"142948"	263.031658	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"2M+2K"	77.926316
"588340"	375.065908	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"3M+2K"	77.926316
"1070671"	150.997408	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2K"	77.926316
"1099926"	303.002092	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2K+H"	78.933592
"1342458"	303.089707	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+DMSO+H"	79.021207
"1013174"	307.128876	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2ACN+H"	83.060376
"1530206"	308.122508	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+IsoProp+Na+H"	84.054008
"999934"	154.068076	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+2ACN+2H"	84.067652
"1597717"	309.037128	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K+HCOOH"	84.968628
"1421189"	339.068638	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+H+CF3COOH"	115.000138
"1151475"	174.581351	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+3ACN+2H"	125.094202
"1698472"	356.095185	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+NH4+CF3COOH"	132.026685
"1643241"	361.05058	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+Na+CF3COOH"	136.98208
"1577798"	377.02452	"C20654"	"3-Benzylmalic acid;3-Benzylmalate"	"C11H12O5"	"224.0685"	"M+K+CF3COOH"	152.95602
"803792"	90.0681	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M"	0
"975135"	71.04971	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-H2O-H"	-19.01839
"65565"	59.038124	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M-3H"	-3.021828
"505127"	89.060824	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M-3H"	-3.021828
"887311"	29.015424	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-3H"	-3.021828
"658"	89.060824	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M-2H"	-2.014552
"441557"	134.094874	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M-2H"	-2.014552
"817656"	44.026774	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-2H"	-2.014552
"79713"	179.128924	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M-H"	-1.007276
"519152"	269.197024	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M-H"	-1.007276
"896342"	89.060824	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-H"	-1.007276
"47553"	196.155471	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M-2H+NH4"	16.019271
"487398"	286.223571	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M-2H+NH4"	16.019271
"865039"	106.087371	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-2H+NH4"	16.019271
"32086"	201.110866	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M-2H+Na"	20.974666
"472014"	291.178966	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M-2H+Na"	20.974666
"849166"	111.042766	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-2H+Na"	20.974666
"1629330"	111.042766	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Na-2H"	20.974666
"108776"	107.049163	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M-H+Cl"	33.962126
"538857"	152.083213	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M-H+Cl"	33.962126
"936749"	62.015113	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-H+Cl"	33.962126
"278591"	215.105602	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+Cl"	34.969402
"674177"	305.173702	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+Cl"	34.969402
"1287426"	125.037502	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Cl"	34.969402
"27068"	217.084806	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M-2H+K"	36.948606
"467724"	307.152906	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M-2H+K"	36.948606
"846986"	127.016706	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-2H+K"	36.948606
"1569014"	127.016706	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+K-2H"	36.948606
"957262"	135.066294	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-H+HCOOH"	44.998194
"375478"	225.134401	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+HCOOH-H"	44.998201
"356811"	239.150051	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+Hac-H"	59.013851
"1504549"	149.081951	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Hac-H"	59.013851
"967717"	157.048251	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-H+NaCOOH"	66.980151
"114435"	125.037502	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+2Cl"	69.938804
"558368"	170.071552	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+2Cl"	69.938804
"1031542"	80.003452	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2Cl"	69.938804
"1252213"	168.986985	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Br"	78.918885
"1314661"	171.042972	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Cl+HCOOH"	80.974872
"1325596"	193.024929	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Cl+NaCOOH"	102.956829
"911916"	203.053686	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M-H+CF3COOH"	112.985586
"1293361"	239.030364	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Cl+CF3COOH"	148.962264
"1367512"	55.055424	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H-2H2O"	-35.012676
"1385738"	73.0654	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H-H2O"	-17.0027
"285425"	181.143476	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+H"	1.007276
"685507"	271.211576	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+H"	1.007276
"1359668"	91.075376	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H"	1.007276
"136938"	91.075376	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+2H"	2.014552
"576496"	136.109426	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+2H"	2.014552
"1051497"	46.041326	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2H"	2.014552
"219871"	61.052676	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+3H"	3.021828
"658105"	91.075376	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+3H"	3.021828
"1174163"	31.029976	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+3H"	3.021828
"438418"	198.170023	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+NH4"	18.033823
"799900"	288.238123	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+NH4"	18.033823
"1695508"	108.101923	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+NH4"	18.033823
"344149"	99.5886495	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+H+NH4"	19.041099
"737943"	144.6226995	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+H+NH4"	19.041099
"1491844"	54.5545995	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H+NH4"	19.041099
"404693"	203.125418	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+Na"	22.989218
"764594"	293.193518	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+Na"	22.989218
"1615607"	113.057318	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Na"	22.989218
"326739"	102.066347	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+H+Na"	23.996494
"716244"	147.100397	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+H+Na"	23.996494
"1473343"	57.032297	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H+Na"	23.996494
"1064401"	38.35729	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2H+Na"	25.00377
"1270819"	123.101586	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+CH3OH+H"	33.033486
"385748"	219.099358	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+K"	38.963158
"743462"	309.167458	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+K"	38.963158
"1541870"	129.031258	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+K"	38.963158
"300140"	110.053317	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+H+K"	39.970434
"692199"	155.087367	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+H+K"	39.970434
"1450032"	65.019267	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H+K"	39.970434
"240821"	222.170026	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+ACN+H"	42.033826
"1212803"	132.101926	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+ACN+H"	42.033826
"1200695"	66.554601	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+ACN+2H"	43.041102
"192836"	225.10736	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+2Na-H"	44.97116
"630934"	315.17546	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+2Na-H"	44.97116
"1134074"	135.03926	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2Na-H"	44.97116
"174812"	113.057318	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+2Na"	45.978436
"625321"	158.091368	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+2Na"	45.978436
"1120077"	68.023268	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2Na"	45.978436
"1402507"	45.684604	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H+2Na"	46.985712
"1434258"	137.080846	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H+HCOOH"	47.012746
"222129"	118.09034	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+3H2O+2H"	56.04448
"1516390"	151.13289	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+IsoProp+H"	61.06479
"417170"	121.044288	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+Na+K"	61.952376
"779260"	166.078338	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+Na+K"	61.952376
"1677780"	76.010238	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Na+K"	61.952376
"262113"	244.151968	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+ACN+Na"	64.015768
"1235916"	154.083868	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+ACN+Na"	64.015768
"1725167"	154.107393	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+NH4+HCOOH"	64.039293
"1187237"	53.011918	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+3Na"	68.967654
"1656036"	159.062788	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Na+HCOOH"	68.994688
"165817"	257.05524	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+2K-H"	76.91904
"603555"	347.12334	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+2K-H"	76.91904
"1089524"	166.98714	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2K-H"	76.91904
"149986"	129.031258	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"2M+2K"	77.926316
"582990"	174.065308	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"3M+2K"	77.926316
"1072971"	83.997208	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2K"	77.926316
"1103996"	169.001692	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2K+H"	78.933592
"1343663"	169.089307	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+DMSO+H"	79.021207
"1010005"	173.128476	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2ACN+H"	83.060376
"1529224"	174.122108	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+IsoProp+Na+H"	84.054008
"992392"	87.067876	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+2ACN+2H"	84.067652
"1595642"	175.036728	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+K+HCOOH"	84.968628
"1420207"	205.068238	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+H+CF3COOH"	115.000138
"1155961"	107.581151	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+3ACN+2H"	125.094202
"1707703"	222.094785	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+NH4+CF3COOH"	132.026685
"1642260"	227.05018	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+Na+CF3COOH"	136.98208
"1580097"	243.02412	"C20657"	"meso-23-Butanediol"	"C4H10O2"	"90.0681"	"M+K+CF3COOH"	152.95602
"807183"	601.0822	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M"	0
"975247"	582.06381	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-H2O-H"	-19.01839
"65675"	399.714190666667	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M-3H"	-3.021828
"507425"	600.074924	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M-3H"	-3.021828
"890701"	199.353457333333	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-3H"	-3.021828
"1741"	600.074924	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M-2H"	-2.014552
"441301"	900.616024	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M-2H"	-2.014552
"820805"	299.533824	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-2H"	-2.014552
"79944"	1201.157124	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M-H"	-1.007276
"521084"	1802.239324	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M-H"	-1.007276
"896940"	600.074924	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-H"	-1.007276
"48402"	1218.183671	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M-2H+NH4"	16.019271
"487347"	1819.265871	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M-2H+NH4"	16.019271
"864785"	617.101471	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-2H+NH4"	16.019271
"31834"	1223.139066	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M-2H+Na"	20.974666
"472124"	1824.221266	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M-2H+Na"	20.974666
"848873"	622.056866	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-2H+Na"	20.974666
"1629440"	622.056866	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Na-2H"	20.974666
"107062"	618.063263	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M-H+Cl"	33.962126
"538967"	918.604363	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M-H+Cl"	33.962126
"936857"	317.522163	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-H+Cl"	33.962126
"277604"	1237.133802	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+Cl"	34.969402
"670027"	1838.216002	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+Cl"	34.969402
"1287661"	636.051602	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Cl"	34.969402
"31069"	1239.113006	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M-2H+K"	36.948606
"468927"	1840.195206	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M-2H+K"	36.948606
"848190"	638.030806	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-2H+K"	36.948606
"1570706"	638.030806	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+K-2H"	36.948606
"958100"	646.080394	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-H+HCOOH"	44.998194
"376199"	1247.162601	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+HCOOH-H"	44.998201
"359108"	1261.178251	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+Hac-H"	59.013851
"1506846"	660.096051	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Hac-H"	59.013851
"966734"	668.062351	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-H+NaCOOH"	66.980151
"117825"	636.051602	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+2Cl"	69.938804
"559571"	936.592702	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+2Cl"	69.938804
"1032745"	335.510502	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2Cl"	69.938804
"1252323"	680.001085	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Br"	78.918885
"1311491"	682.057072	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Cl+HCOOH"	80.974872
"1325706"	704.039029	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Cl+NaCOOH"	102.956829
"911783"	714.067786	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M-H+CF3COOH"	112.985586
"1292378"	750.044464	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Cl+CF3COOH"	148.962264
"1368717"	566.069524	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H-2H2O"	-35.012676
"1384755"	584.0795	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H-H2O"	-17.0027
"285535"	1203.171676	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+H"	1.007276
"685617"	1804.253876	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+H"	1.007276
"1359778"	602.089476	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H"	1.007276
"140329"	602.089476	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+2H"	2.014552
"576606"	902.630576	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+2H"	2.014552
"1051607"	301.548376	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2H"	2.014552
"219386"	401.728742666667	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+3H"	3.021828
"656880"	602.089476	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+3H"	3.021828
"1174273"	201.368009333333	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+3H"	3.021828
"438774"	1220.198223	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+NH4"	18.033823
"800012"	1821.280423	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+NH4"	18.033823
"1696345"	619.116023	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+NH4"	18.033823
"345671"	610.6027495	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+H+NH4"	19.041099
"737038"	911.1438495	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+H+NH4"	19.041099
"1492552"	310.0616495	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H+NH4"	19.041099
"405896"	1225.153618	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+Na"	22.989218
"769445"	1826.235818	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+Na"	22.989218
"1616447"	624.071418	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Na"	22.989218
"327579"	613.080447	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+H+Na"	23.996494
"719634"	913.621547	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+H+Na"	23.996494
"1474914"	312.539347	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H+Na"	23.996494
"1066334"	208.695323333333	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2H+Na"	25.00377
"1271293"	634.115686	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+CH3OH+H"	33.033486
"386951"	1241.127558	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+K"	38.963158
"741749"	1842.209758	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+K"	38.963158
"1544897"	640.045358	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+K"	38.963158
"300979"	621.067417	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+H+K"	39.970434
"692429"	921.608517	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+H+K"	39.970434
"1449047"	320.526317	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H+K"	39.970434
"244211"	1244.198226	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+ACN+H"	42.033826
"1211456"	643.116026	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+ACN+H"	42.033826
"1201898"	322.061651	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+ACN+2H"	43.041102
"193675"	1247.13556	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+2Na-H"	44.97116
"629583"	1848.21776	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+2Na-H"	44.97116
"1133211"	646.05336	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2Na-H"	44.97116
"176378"	624.071418	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+2Na"	45.978436
"625066"	924.612518	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+2Na"	45.978436
"1124197"	323.530318	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2Na"	45.978436
"1403346"	216.022637333333	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H+2Na"	46.985712
"1434366"	648.094946	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H+HCOOH"	47.012746
"221873"	629.10444	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+3H2O+2H"	56.04448
"1516500"	662.14699	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+IsoProp+H"	61.06479
"417280"	632.058388	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+Na+K"	61.952376
"781557"	932.599488	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+Na+K"	61.952376
"1677890"	331.517288	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Na+K"	61.952376
"262223"	1266.180168	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+ACN+Na"	64.015768
"1234933"	665.097968	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+ACN+Na"	64.015768
"1722725"	665.121493	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+NH4+HCOOH"	64.039293
"1186983"	223.349951333333	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+3Na"	68.967654
"1656874"	670.076888	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Na+HCOOH"	68.994688
"163739"	1279.08344	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+2K-H"	76.91904
"603300"	1880.16564	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+2K-H"	76.91904
"1088906"	678.00124	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2K-H"	76.91904
"146816"	640.045358	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"2M+2K"	77.926316
"585286"	940.586458	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"3M+2K"	77.926316
"1073082"	339.504258	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2K"	77.926316
"1108480"	680.015792	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2K+H"	78.933592
"1348146"	680.103407	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+DMSO+H"	79.021207
"1015582"	684.142576	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2ACN+H"	83.060376
"1534801"	685.136208	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+IsoProp+Na+H"	84.054008
"1001249"	342.574926	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+2ACN+2H"	84.067652
"1597939"	686.050828	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+K+HCOOH"	84.968628
"1420317"	716.082338	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+H+CF3COOH"	115.000138
"1152791"	363.088201	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+3ACN+2H"	125.094202
"1707813"	733.108885	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+NH4+CF3COOH"	132.026685
"1645650"	738.06428	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+Na+CF3COOH"	136.98208
"1580207"	754.03822	"C20658"	"O-Acetyl-ADP-ribose;2-O-Acetyl-ADP-ribose;AADPR"	"C17H25N5O15P2"	"601.0822"	"M+K+CF3COOH"	152.95602
"802314"	314.0684	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M"	0
"984113"	295.05001	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H2O-H"	-19.01839
"66890"	208.371657333333	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-3H"	-3.021828
"504626"	313.061124	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-3H"	-3.021828
"883155"	103.682190666667	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-3H"	-3.021828
"185"	313.061124	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H"	-2.014552
"441411"	470.095324	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H"	-2.014552
"817634"	156.026924	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H"	-2.014552
"79449"	627.129524	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H"	-1.007276
"518682"	941.197924	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H"	-1.007276
"895829"	313.061124	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H"	-1.007276
"47255"	644.156071	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+NH4"	16.019271
"489293"	958.224471	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+NH4"	16.019271
"866364"	330.087671	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+NH4"	16.019271
"40466"	649.111466	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+Na"	20.974666
"474925"	963.179866	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+Na"	20.974666
"853093"	335.043066	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+Na"	20.974666
"1626272"	335.043066	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na-2H"	20.974666
"106083"	331.049463	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-H+Cl"	33.962126
"545646"	488.083663	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-H+Cl"	33.962126
"936972"	174.015263	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+Cl"	33.962126
"280998"	663.106202	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Cl"	34.969402
"675623"	977.174602	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Cl"	34.969402
"1288454"	349.037802	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl"	34.969402
"30329"	665.085406	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M-2H+K"	36.948606
"470662"	979.153806	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M-2H+K"	36.948606
"848444"	351.017006	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-2H+K"	36.948606
"1571222"	351.017006	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K-2H"	36.948606
"958481"	359.066594	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+HCOOH"	44.998194
"376675"	673.135001	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+HCOOH-H"	44.998201
"353752"	687.150651	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Hac-H"	59.013851
"1506955"	373.082251	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Hac-H"	59.013851
"970121"	381.048551	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+NaCOOH"	66.980151
"123402"	349.037802	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Cl"	69.938804
"565276"	506.072002	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Cl"	69.938804
"1035042"	192.003602	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Cl"	69.938804
"1256443"	392.987285	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Br"	78.918885
"1318161"	395.043272	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+HCOOH"	80.974872
"1323630"	417.025229	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+NaCOOH"	102.956829
"921248"	427.053986	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M-H+CF3COOH"	112.985586
"1290665"	463.030664	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Cl+CF3COOH"	148.962264
"1369195"	279.055724	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-2H2O"	-35.012676
"1393624"	297.0657	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H-H2O"	-17.0027
"295497"	629.144076	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H"	1.007276
"689013"	943.212476	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H"	1.007276
"1365369"	315.075676	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H"	1.007276
"137161"	315.075676	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2H"	2.014552
"579644"	472.109876	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2H"	2.014552
"1051359"	158.041476	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H"	2.014552
"219629"	210.386209333333	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H"	3.021828
"656268"	315.075676	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+3H"	3.021828
"1178043"	105.696742666667	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3H"	3.021828
"438760"	646.170623	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+NH4"	18.033823
"800488"	960.239023	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+NH4"	18.033823
"1696087"	332.102223	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4"	18.033823
"344003"	323.5889495	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+NH4"	19.041099
"735693"	480.6231495	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+NH4"	19.041099
"1489514"	166.5547495	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+NH4"	19.041099
"404911"	651.126018	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na"	22.989218
"768094"	965.194418	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na"	22.989218
"1616922"	337.057618	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na"	22.989218
"327324"	326.066647	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+Na"	23.996494
"717560"	483.100847	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+Na"	23.996494
"1471380"	169.032447	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+Na"	23.996494
"1062435"	113.024056666667	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2H+Na"	25.00377
"1260834"	347.101886	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+CH3OH+H"	33.033486
"378435"	667.099958	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+K"	38.963158
"741500"	981.168358	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+K"	38.963158
"1544647"	353.031558	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K"	38.963158
"305104"	334.053617	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+H+K"	39.970434
"695339"	491.087817	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+H+K"	39.970434
"1449889"	177.019417	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+K"	39.970434
"241044"	670.170626	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+H"	42.033826
"1212293"	356.102226	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+H"	42.033826
"1200916"	178.554751	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+2H"	43.041102
"199256"	673.10796	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na-H"	44.97116
"632984"	987.17636	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na-H"	44.97116
"1136855"	359.03956	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na-H"	44.97116
"186712"	337.057618	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2Na"	45.978436
"621896"	494.091818	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2Na"	45.978436
"1125403"	180.023418	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2Na"	45.978436
"1411113"	120.351370666667	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+2Na"	46.985712
"1443227"	361.081146	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+HCOOH"	47.012746
"229642"	342.09064	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+3H2O+2H"	56.04448
"1523171"	375.13319	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+H"	61.06479
"413381"	345.044588	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+Na+K"	61.952376
"782762"	502.078788	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+Na+K"	61.952376
"1671072"	188.010388	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+K"	61.952376
"257593"	692.152568	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+ACN+Na"	64.015768
"1228478"	378.084168	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+ACN+Na"	64.015768
"1715907"	378.107693	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+HCOOH"	64.039293
"1187099"	127.678684666667	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3Na"	68.967654
"1659179"	383.063088	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+HCOOH"	68.994688
"163853"	705.05584	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K-H"	76.91904
"603416"	1019.12424	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K-H"	76.91904
"1091210"	390.98744	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K-H"	76.91904
"156864"	353.031558	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"2M+2K"	77.926316
"596226"	510.065758	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"3M+2K"	77.926316
"1083656"	195.997358	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K"	77.926316
"1114917"	393.001992	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2K+H"	78.933592
"1349109"	393.089607	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+DMSO+H"	79.021207
"1020763"	397.128776	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+H"	83.060376
"1537952"	398.122408	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+IsoProp+Na+H"	84.054008
"1000267"	199.068026	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+2ACN+2H"	84.067652
"1602592"	399.037028	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+HCOOH"	84.968628
"1429587"	429.068538	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+H+CF3COOH"	115.000138
"1159469"	219.581301	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+3ACN+2H"	125.094202
"1707926"	446.095085	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+NH4+CF3COOH"	132.026685
"1647949"	451.05048	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+Na+CF3COOH"	136.98208
"1580322"	467.02442	"C20664"	"(-)-Bornyl diphosphate;(2R4S)-177-Trimethylbicyclo221hept-2-yl diphosphate"	"C10H20O7P2"	"314.0684"	"M+K+CF3COOH"	152.95602
"801433"	598.2427	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M"	0
"979849"	579.22431	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H2O-H"	-19.01839
"63720"	397.821190666667	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-3H"	-3.021828
"503153"	597.235424	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-3H"	-3.021828
"879929"	198.406957333333	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-3H"	-3.021828
"29"	597.235424	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H"	-2.014552
"439983"	896.356774	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H"	-2.014552
"817113"	298.114074	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H"	-2.014552
"78949"	1195.478124	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-H"	-1.007276
"518750"	1793.720824	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-H"	-1.007276
"895642"	597.235424	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H"	-1.007276
"47243"	1212.504671	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H+NH4"	16.019271
"487576"	1810.747371	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H+NH4"	16.019271
"864526"	614.261971	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H+NH4"	16.019271
"34014"	1217.460066	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H+Na"	20.974666
"472847"	1815.702766	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H+Na"	20.974666
"852837"	619.217366	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H+Na"	20.974666
"1626381"	619.217366	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na-2H"	20.974666
"97077"	615.223763	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-H+Cl"	33.962126
"535178"	914.345113	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-H+Cl"	33.962126
"933799"	316.102413	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+Cl"	33.962126
"274544"	1231.454802	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Cl"	34.969402
"674622"	1829.697502	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+Cl"	34.969402
"1285933"	633.212102	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl"	34.969402
"29589"	1233.434006	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H+K"	36.948606
"470245"	1831.676706	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H+K"	36.948606
"848491"	635.191306	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H+K"	36.948606
"1571267"	635.191306	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K-2H"	36.948606
"957599"	643.240894	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+HCOOH"	44.998194
"375448"	1241.483601	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+HCOOH-H"	44.998201
"353862"	1255.499251	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Hac-H"	59.013851
"1507190"	657.256551	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Hac-H"	59.013851
"971690"	665.222851	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+NaCOOH"	66.980151
"123512"	633.212102	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2Cl"	69.938804
"565262"	932.333452	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2Cl"	69.938804
"1034059"	334.090752	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2Cl"	69.938804
"1255460"	677.161585	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Br"	78.918885
"1318271"	679.217572	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl+HCOOH"	80.974872
"1323740"	701.199529	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl+NaCOOH"	102.956829
"912974"	711.228286	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+CF3COOH"	112.985586
"1289071"	747.204964	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl+CF3COOH"	148.962264
"1368577"	563.230024	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H-2H2O"	-35.012676
"1393734"	581.24	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H-H2O"	-17.0027
"295607"	1197.492676	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H"	1.007276
"690582"	1795.735376	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H"	1.007276
"1363285"	599.249976	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H"	1.007276
"135084"	599.249976	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2H"	2.014552
"579754"	898.371326	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2H"	2.014552
"1051470"	300.128626	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2H"	2.014552
"219009"	399.835742666667	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+3H"	3.021828
"655284"	599.249976	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+3H"	3.021828
"1177057"	200.421509333333	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+3H"	3.021828
"438143"	1214.519223	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+NH4"	18.033823
"799498"	1812.761923	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+NH4"	18.033823
"1693280"	616.276523	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+NH4"	18.033823
"343749"	607.7632495	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H+NH4"	19.041099
"733981"	906.8845995	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H+NH4"	19.041099
"1489988"	308.6418995	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+NH4"	19.041099
"406481"	1219.474618	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Na"	22.989218
"765653"	1817.717318	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+Na"	22.989218
"1615574"	621.231918	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na"	22.989218
"326341"	610.240947	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H+Na"	23.996494
"718762"	909.362297	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H+Na"	23.996494
"1472584"	311.119597	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+Na"	23.996494
"1060358"	207.748823333333	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2H+Na"	25.00377
"1259851"	631.276186	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+CH3OH+H"	33.033486
"379517"	1235.448558	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+K"	38.963158
"738606"	1833.691258	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+K"	38.963158
"1542932"	637.205858	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K"	38.963158
"305214"	618.227917	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H+K"	39.970434
"695449"	917.349267	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H+K"	39.970434
"1447446"	319.106567	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+K"	39.970434
"236043"	1238.519226	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+ACN+H"	42.033826
"1211308"	640.276526	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+ACN+H"	42.033826
"1194574"	320.641901	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+ACN+2H"	43.041102
"194262"	1241.45656	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2Na-H"	44.97116
"633094"	1839.69926	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2Na-H"	44.97116
"1136237"	643.21386	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2Na-H"	44.97116
"184634"	621.231918	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2Na"	45.978436
"622006"	920.353268	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2Na"	45.978436
"1127699"	322.110568	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2Na"	45.978436
"1409034"	215.076137333333	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+2Na"	46.985712
"1440056"	645.255446	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+HCOOH"	47.012746
"224284"	626.26494	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+3H2O+2H"	56.04448
"1509064"	659.30749	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+IsoProp+H"	61.06479
"413491"	629.218888	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Na+K"	61.952376
"781779"	928.340238	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+Na+K"	61.952376
"1671547"	330.097538	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na+K"	61.952376
"256245"	1260.501168	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+ACN+Na"	64.015768
"1226399"	662.258468	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+ACN+Na"	64.015768
"1716017"	662.281993	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+NH4+HCOOH"	64.039293
"1187208"	222.403451333333	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+3Na"	68.967654
"1658196"	667.237388	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na+HCOOH"	68.994688
"166150"	1273.40444	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2K-H"	76.91904
"603526"	1871.64714	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2K-H"	76.91904
"1090227"	675.16174	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2K-H"	76.91904
"157083"	637.205858	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2K"	77.926316
"597030"	936.327208	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2K"	77.926316
"1083520"	338.084508	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2K"	77.926316
"1115515"	677.176292	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2K+H"	78.933592
"1349219"	677.263907	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+DMSO+H"	79.021207
"1020788"	681.303076	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2ACN+H"	83.060376
"1537211"	682.296708	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+IsoProp+Na+H"	84.054008
"1002564"	341.155176	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2ACN+2H"	84.067652
"1602457"	683.211328	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K+HCOOH"	84.968628
"1429779"	713.242838	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+CF3COOH"	115.000138
"1159579"	361.668451	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+3ACN+2H"	125.094202
"1708036"	730.269385	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+NH4+CF3COOH"	132.026685
"1648059"	735.22478	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na+CF3COOH"	136.98208
"1580432"	751.19872	"C20666"	"5-Oxo-delta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K+CF3COOH"	152.95602
"802778"	598.2427	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M"	0
"981052"	579.22431	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H2O-H"	-19.01839
"64923"	397.821190666667	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-3H"	-3.021828
"504478"	597.235424	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-3H"	-3.021828
"881187"	198.406957333333	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-3H"	-3.021828
"327"	597.235424	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H"	-2.014552
"440779"	896.356774	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H"	-2.014552
"817439"	298.114074	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H"	-2.014552
"80763"	1195.478124	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-H"	-1.007276
"518777"	1793.720824	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-H"	-1.007276
"895888"	597.235424	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H"	-1.007276
"48004"	1212.504671	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H+NH4"	16.019271
"487442"	1810.747371	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H+NH4"	16.019271
"865489"	614.261971	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H+NH4"	16.019271
"34487"	1217.460066	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H+Na"	20.974666
"471981"	1815.702766	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H+Na"	20.974666
"850760"	619.217366	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H+Na"	20.974666
"1619928"	619.217366	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na-2H"	20.974666
"96457"	615.223763	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-H+Cl"	33.962126
"537473"	914.345113	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-H+Cl"	33.962126
"930629"	316.102413	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+Cl"	33.962126
"274654"	1231.454802	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Cl"	34.969402
"664891"	1829.697502	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+Cl"	34.969402
"1281669"	633.212102	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl"	34.969402
"28969"	1233.434006	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M-2H+K"	36.948606
"469260"	1831.676706	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M-2H+K"	36.948606
"847795"	635.191306	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-2H+K"	36.948606
"1570559"	635.191306	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K-2H"	36.948606
"957587"	643.240894	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+HCOOH"	44.998194
"373734"	1241.483601	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+HCOOH-H"	44.998201
"350692"	1255.499251	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Hac-H"	59.013851
"1506082"	657.256551	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Hac-H"	59.013851
"971435"	665.222851	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+NaCOOH"	66.980151
"121435"	633.212102	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2Cl"	69.938804
"565005"	932.333452	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2Cl"	69.938804
"1035627"	334.090752	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2Cl"	69.938804
"1256667"	677.161585	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Br"	78.918885
"1312914"	679.217572	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl+HCOOH"	80.974872
"1323849"	701.199529	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl+NaCOOH"	102.956829
"913813"	711.228286	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M-H+CF3COOH"	112.985586
"1290156"	747.204964	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Cl+CF3COOH"	148.962264
"1368198"	563.230024	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H-2H2O"	-35.012676
"1391656"	581.24	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H-H2O"	-17.0027
"297903"	1197.492676	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H"	1.007276
"689233"	1795.735376	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H"	1.007276
"1362301"	599.249976	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H"	1.007276
"134101"	599.249976	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2H"	2.014552
"578035"	898.371326	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2H"	2.014552
"1050849"	300.128626	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2H"	2.014552
"219727"	399.835742666667	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+3H"	3.021828
"655394"	599.249976	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+3H"	3.021828
"1176799"	200.421509333333	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+3H"	3.021828
"437522"	1214.519223	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+NH4"	18.033823
"797786"	1812.761923	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+NH4"	18.033823
"1690837"	616.276523	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+NH4"	18.033823
"342034"	607.7632495	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H+NH4"	19.041099
"731539"	906.8845995	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H+NH4"	19.041099
"1483172"	308.6418995	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+NH4"	19.041099
"396384"	1219.474618	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Na"	22.989218
"758473"	1817.717318	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+Na"	22.989218
"1609851"	621.231918	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na"	22.989218
"322074"	610.240947	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H+Na"	23.996494
"714496"	909.362297	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H+Na"	23.996494
"1467222"	311.119597	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+Na"	23.996494
"1053907"	207.748823333333	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2H+Na"	25.00377
"1258257"	631.276186	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+CH3OH+H"	33.033486
"377924"	1235.448558	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+K"	38.963158
"739162"	1833.691258	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+K"	38.963158
"1540122"	637.205858	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K"	38.963158
"299364"	618.227917	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+H+K"	39.970434
"691908"	917.349267	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+H+K"	39.970434
"1445851"	319.106567	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+K"	39.970434
"235876"	1238.519226	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+ACN+H"	42.033826
"1210155"	640.276526	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+ACN+H"	42.033826
"1194688"	320.641901	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+ACN+2H"	43.041102
"192184"	1241.45656	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2Na-H"	44.97116
"629559"	1839.69926	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2Na-H"	44.97116
"1136711"	643.21386	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2Na-H"	44.97116
"177090"	621.231918	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2Na"	45.978436
"621023"	920.353268	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2Na"	45.978436
"1123434"	322.110568	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2Na"	45.978436
"1403310"	215.076137333333	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+2Na"	46.985712
"1435063"	645.255446	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+HCOOH"	47.012746
"224394"	626.26494	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+3H2O+2H"	56.04448
"1510266"	659.30749	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+IsoProp+H"	61.06479
"414330"	629.218888	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+Na+K"	61.952376
"773142"	928.340238	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+Na+K"	61.952376
"1668742"	330.097538	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na+K"	61.952376
"253802"	1260.501168	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+ACN+Na"	64.015768
"1226265"	662.258468	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+ACN+Na"	64.015768
"1715763"	662.281993	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+NH4+HCOOH"	64.039293
"1181850"	222.403451333333	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+3Na"	68.967654
"1651742"	667.237388	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na+HCOOH"	68.994688
"159700"	1273.40444	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2K-H"	76.91904
"599015"	1871.64714	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2K-H"	76.91904
"1088150"	675.16174	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2K-H"	76.91904
"150437"	637.205858	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"2M+2K"	77.926316
"597063"	936.327208	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"3M+2K"	77.926316
"1083142"	338.084508	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2K"	77.926316
"1115585"	677.176292	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2K+H"	78.933592
"1349208"	677.263907	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+DMSO+H"	79.021207
"1018101"	681.303076	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2ACN+H"	83.060376
"1537200"	682.296708	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+IsoProp+Na+H"	84.054008
"999394"	341.155176	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+2ACN+2H"	84.067652
"1600823"	683.211328	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K+HCOOH"	84.968628
"1429279"	713.242838	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+H+CF3COOH"	115.000138
"1157502"	361.668451	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+3ACN+2H"	125.094202
"1708146"	730.269385	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+NH4+CF3COOH"	132.026685
"1645982"	735.22478	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+Na+CF3COOH"	136.98208
"1580542"	751.19872	"C20667"	"15-Oxo-beta-bilirubin"	"C33H34N4O7"	"598.2427"	"M+K+CF3COOH"	152.95602
"809817"	258.0141	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M"	0
"981163"	238.99571	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H2O-H"	-19.01839
"68314"	171.002124	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-3H"	-3.021828
"503860"	257.006824	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-3H"	-3.021828
"881784"	84.997424	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-3H"	-3.021828
"965"	257.006824	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H"	-2.014552
"440641"	386.013874	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H"	-2.014552
"817513"	127.999774	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H"	-2.014552
"81602"	515.020924	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-H"	-1.007276
"519090"	773.035024	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-H"	-1.007276
"896896"	257.006824	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H"	-1.007276
"48471"	532.047471	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+NH4"	16.019271
"488033"	790.061571	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+NH4"	16.019271
"865233"	274.033371	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+NH4"	16.019271
"34964"	537.002866	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+Na"	20.974666
"474160"	795.016966	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+Na"	20.974666
"851234"	278.988766	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+Na"	20.974666
"1621132"	278.988766	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na-2H"	20.974666
"97662"	274.995163	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-H+Cl"	33.962126
"538316"	404.002213	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-H+Cl"	33.962126
"930739"	145.988113	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+Cl"	33.962126
"271483"	550.997602	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Cl"	34.969402
"665001"	809.011702	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Cl"	34.969402
"1275216"	292.983502	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl"	34.969402
"28713"	552.976806	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M-2H+K"	36.948606
"469738"	810.990906	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M-2H+K"	36.948606
"847911"	294.962706	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-2H+K"	36.948606
"1570912"	294.962706	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K-2H"	36.948606
"957088"	303.012294	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+HCOOH"	44.998194
"374211"	561.026401	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+HCOOH-H"	44.998201
"352988"	575.042051	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Hac-H"	59.013851
"1507288"	317.027951	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Hac-H"	59.013851
"971181"	324.994251	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+NaCOOH"	66.980151
"118266"	292.983502	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Cl"	69.938804
"560011"	421.990552	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Cl"	69.938804
"1029905"	163.976452	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Cl"	69.938804
"1253856"	336.932985	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Br"	78.918885
"1310838"	338.988972	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+HCOOH"	80.974872
"1326147"	360.970929	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+NaCOOH"	102.956829
"921578"	370.999686	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M-H+CF3COOH"	112.985586
"1291361"	406.976364	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Cl+CF3COOH"	148.962264
"1368795"	223.001424	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H-2H2O"	-35.012676
"1388484"	241.0114	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H-H2O"	-17.0027
"285984"	517.035476	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H"	1.007276
"687887"	775.049576	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H"	1.007276
"1362411"	259.021376	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H"	1.007276
"133847"	259.021376	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2H"	2.014552
"580217"	388.028426	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2H"	2.014552
"1051570"	130.014326	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2H"	2.014552
"218741"	173.016676	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+3H"	3.021828
"653319"	259.021376	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+3H"	3.021828
"1176184"	87.011976	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3H"	3.021828
"437995"	534.062023	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+NH4"	18.033823
"793524"	792.076123	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+NH4"	18.033823
"1694226"	276.047923	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4"	18.033823
"341413"	267.5346495	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+NH4"	19.041099
"733837"	396.5416995	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+NH4"	19.041099
"1486563"	138.5275995	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+NH4"	19.041099
"394308"	539.017418	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Na"	22.989218
"758582"	797.031518	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Na"	22.989218
"1606681"	281.003318	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na"	22.989218
"316718"	270.012347	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+Na"	23.996494
"712420"	399.019397	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+Na"	23.996494
"1470613"	141.005297	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+Na"	23.996494
"1054017"	94.33929	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2H+Na"	25.00377
"1261161"	291.047586	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+CH3OH+H"	33.033486
"378395"	554.991358	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+K"	38.963158
"740369"	813.005458	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+K"	38.963158
"1542423"	296.977258	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K"	38.963158
"299352"	277.999317	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+H+K"	39.970434
"693480"	407.006367	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+H+K"	39.970434
"1449123"	148.992267	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+K"	39.970434
"236503"	558.062026	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+ACN+H"	42.033826
"1210792"	300.047926	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+H"	42.033826
"1196137"	150.527601	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+2H"	43.041102
"190103"	560.99936	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Na-H"	44.97116
"631490"	819.01346	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Na-H"	44.97116
"1141564"	302.98526	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Na-H"	44.97116
"183760"	281.003318	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2Na"	45.978436
"618945"	410.010368	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2Na"	45.978436
"1121358"	151.996268	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2Na"	45.978436
"1405975"	101.666604	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+2Na"	46.985712
"1433350"	305.026846	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+HCOOH"	47.012746
"225599"	286.03634	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+3H2O+2H"	56.04448
"1516942"	319.07889	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+IsoProp+H"	61.06479
"415536"	288.990288	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+Na+K"	61.952376
"772888"	417.997338	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+Na+K"	61.952376
"1668852"	159.983238	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+K"	61.952376
"254279"	580.043968	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+ACN+Na"	64.015768
"1228080"	322.029868	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+ACN+Na"	64.015768
"1715873"	322.053393	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4+HCOOH"	64.039293
"1179769"	108.993918	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3Na"	68.967654
"1650179"	327.008788	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+HCOOH"	68.994688
"157530"	592.94724	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2K-H"	76.91904
"597693"	850.96134	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2K-H"	76.91904
"1084483"	334.93314	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K-H"	76.91904
"150546"	296.977258	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"2M+2K"	77.926316
"592293"	425.984308	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"3M+2K"	77.926316
"1080087"	167.970208	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K"	77.926316
"1114272"	336.947692	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2K+H"	78.933592
"1349684"	337.035307	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+DMSO+H"	79.021207
"1019306"	341.074476	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2ACN+H"	83.060376
"1538891"	342.068108	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+IsoProp+Na+H"	84.054008
"1004729"	171.040876	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+2ACN+2H"	84.067652
"1600204"	342.982728	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K+HCOOH"	84.968628
"1428054"	373.014238	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+H+CF3COOH"	115.000138
"1160892"	191.554151	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+3ACN+2H"	125.094202
"1708257"	390.040785	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+NH4+CF3COOH"	132.026685
"1646093"	394.99618	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+Na+CF3COOH"	136.98208
"1574091"	410.97012	"C20668"	"3-Dehydro-D-glucose 6-phosphate"	"C6H11O9P"	"258.0141"	"M+K+CF3COOH"	152.95602
"807740"	143.0138	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M"	0
"982366"	123.99541	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-H2O-H"	-19.01839
"67330"	94.3352573333333	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M-3H"	-3.021828
"504699"	142.006524	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M-3H"	-3.021828
"880920"	46.6639906666667	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-3H"	-3.021828
"831"	142.006524	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M-2H"	-2.014552
"440509"	213.513424	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M-2H"	-2.014552
"817707"	70.499624	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-2H"	-2.014552
"80619"	285.020324	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M-H"	-1.007276
"518711"	428.034124	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M-H"	-1.007276
"897613"	142.006524	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-H"	-1.007276
"47857"	302.046871	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M-2H+NH4"	16.019271
"488021"	445.060671	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M-2H+NH4"	16.019271
"866315"	159.033071	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-2H+NH4"	16.019271
"36167"	307.002266	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M-2H+Na"	20.974666
"475364"	450.016066	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M-2H+Na"	20.974666
"853166"	163.988466	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-2H+Na"	20.974666
"1620514"	163.988466	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Na-2H"	20.974666
"96679"	159.994863	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M-H+Cl"	33.962126
"538790"	231.501763	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M-H+Cl"	33.962126
"931942"	88.487963	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-H+Cl"	33.962126
"271593"	320.997002	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+Cl"	34.969402
"668391"	464.010802	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+Cl"	34.969402
"1275326"	177.983202	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Cl"	34.969402
"28823"	322.976206	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M-2H+K"	36.948606
"469846"	465.990006	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M-2H+K"	36.948606
"846921"	179.962406	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-2H+K"	36.948606
"1566396"	179.962406	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+K-2H"	36.948606
"957723"	188.011994	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-H+HCOOH"	44.998194
"374316"	331.025801	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+HCOOH-H"	44.998201
"358562"	345.041451	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+Hac-H"	59.013851
"1507400"	202.027651	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Hac-H"	59.013851
"961814"	209.993951	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-H+NaCOOH"	66.980151
"115095"	177.983202	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+2Cl"	69.938804
"554654"	249.490102	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+2Cl"	69.938804
"1026735"	106.476302	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2Cl"	69.938804
"1249592"	221.932685	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Br"	78.918885
"1309854"	223.988672	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Cl+HCOOH"	80.974872
"1325162"	245.970629	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Cl+NaCOOH"	102.956829
"919501"	255.999386	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M-H+CF3COOH"	112.985586
"1294387"	291.976064	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Cl+CF3COOH"	148.962264
"1369634"	108.001124	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H-2H2O"	-35.012676
"1383121"	126.0111	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H-H2O"	-17.0027
"284027"	287.034876	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+H"	1.007276
"686172"	430.048676	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+H"	1.007276
"1361427"	144.021076	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H"	1.007276
"131041"	144.021076	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+2H"	2.014552
"577527"	215.527976	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+2H"	2.014552
"1052286"	72.514176	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2H"	2.014552
"218967"	96.3498093333333	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+3H"	3.021828
"658893"	144.021076	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+3H"	3.021828
"1177386"	48.6785426666667	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+3H"	3.021828
"438105"	304.061423	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+NH4"	18.033823
"795820"	447.075223	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+NH4"	18.033823
"1694334"	161.047623	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+NH4"	18.033823
"342617"	152.5343495	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+H+NH4"	19.041099
"733947"	224.0412495	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+H+NH4"	19.041099
"1486673"	81.0274495	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H+NH4"	19.041099
"394417"	309.016818	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+Na"	22.989218
"758692"	452.030618	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+Na"	22.989218
"1610071"	166.003018	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Na"	22.989218
"319014"	155.012047	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+H+Na"	23.996494
"712530"	226.518947	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+H+Na"	23.996494
"1468537"	83.505147	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H+Na"	23.996494
"1055220"	56.0058566666667	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2H+Na"	25.00377
"1260178"	176.047286	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+CH3OH+H"	33.033486
"378388"	324.990758	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+K"	38.963158
"741937"	468.004558	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+K"	38.963158
"1545084"	181.976958	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+K"	38.963158
"300438"	162.999017	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+H+K"	39.970434
"693954"	234.505917	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+H+K"	39.970434
"1448868"	91.492117	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H+K"	39.970434
"237103"	328.061426	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+ACN+H"	42.033826
"1211634"	185.047626	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+ACN+H"	42.033826
"1195761"	93.027451	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+ACN+2H"	43.041102
"190214"	330.99876	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+2Na-H"	44.97116
"632693"	474.01256	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+2Na-H"	44.97116
"1142767"	187.98496	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2Na-H"	44.97116
"183869"	166.003018	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+2Na"	45.978436
"620150"	237.509918	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+2Na"	45.978436
"1121468"	94.496118	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2Na"	45.978436
"1407178"	63.3331706666667	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H+2Na"	46.985712
"1433097"	190.026546	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H+HCOOH"	47.012746
"226802"	171.03604	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+3H2O+2H"	56.04448
"1519238"	204.07859	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+IsoProp+H"	61.06479
"415646"	173.989988	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+Na+K"	61.952376
"772997"	245.496888	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+Na+K"	61.952376
"1668963"	102.483088	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Na+K"	61.952376
"255482"	350.043368	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+ACN+Na"	64.015768
"1228918"	207.029568	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+ACN+Na"	64.015768
"1715251"	207.053093	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+NH4+HCOOH"	64.039293
"1181335"	70.6604846666667	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+3Na"	68.967654
"1651957"	212.008488	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Na+HCOOH"	68.994688
"157274"	362.94664	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+2K-H"	76.91904
"597644"	505.96044	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+2K-H"	76.91904
"1084634"	219.93284	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2K-H"	76.91904
"150656"	181.976958	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"2M+2K"	77.926316
"590216"	253.483858	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"3M+2K"	77.926316
"1079104"	110.470058	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2K"	77.926316
"1114995"	221.947392	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2K+H"	78.933592
"1350283"	222.035007	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+DMSO+H"	79.021207
"1019295"	226.074176	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2ACN+H"	83.060376
"1538514"	227.067808	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+IsoProp+Na+H"	84.054008
"1002530"	113.540726	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+2ACN+2H"	84.067652
"1599221"	227.982428	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+K+HCOOH"	84.968628
"1429257"	258.013938	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+H+CF3COOH"	115.000138
"1159909"	134.054001	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+3ACN+2H"	125.094202
"1707274"	275.040485	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+NH4+CF3COOH"	132.026685
"1645110"	279.99588	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+Na+CF3COOH"	136.98208
"1574201"	295.96982	"C20669"	"2-Amino-5-chlorophenol"	"C6H6ClNO"	"143.0138"	"M+K+CF3COOH"	152.95602
"806757"	175.0036	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M"	0
"981383"	155.98521	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-H2O-H"	-19.01839
"68534"	115.661790666667	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M-3H"	-3.021828
"503717"	173.996324	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M-3H"	-3.021828
"880221"	57.3272573333333	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-3H"	-3.021828
"1551"	173.996324	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M-2H"	-2.014552
"440379"	261.498124	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M-2H"	-2.014552
"817572"	86.494524	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-2H"	-2.014552
"80729"	348.999924	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M-H"	-1.007276
"518698"	524.003524	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M-H"	-1.007276
"897358"	173.996324	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-H"	-1.007276
"48211"	366.026471	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M-2H+NH4"	16.019271
"487406"	541.030071	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M-2H+NH4"	16.019271
"865818"	191.022871	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-2H+NH4"	16.019271
"35549"	370.981866	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M-2H+Na"	20.974666
"475110"	545.985466	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M-2H+Na"	20.974666
"852183"	195.978266	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-2H+Na"	20.974666
"1621352"	195.978266	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Na-2H"	20.974666
"97882"	191.984663	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M-H+Cl"	33.962126
"538536"	279.486463	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M-H+Cl"	33.962126
"933145"	104.482863	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-H+Cl"	33.962126
"272796"	384.976602	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+Cl"	34.969402
"665221"	559.980202	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+Cl"	34.969402
"1275436"	209.973002	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Cl"	34.969402
"30026"	386.955806	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M-2H+K"	36.948606
"470200"	561.959406	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M-2H+K"	36.948606
"848001"	211.952206	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-2H+K"	36.948606
"1566506"	211.952206	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+K-2H"	36.948606
"956940"	220.001794	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-H+HCOOH"	44.998194
"371510"	395.005401	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+HCOOH-H"	44.998201
"358671"	409.021051	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+Hac-H"	59.013851
"1504224"	234.017451	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Hac-H"	59.013851
"965202"	241.983751	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-H+NaCOOH"	66.980151
"115203"	209.973002	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+2Cl"	69.938804
"555857"	297.474802	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+2Cl"	69.938804
"1025750"	122.471202	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2Cl"	69.938804
"1249702"	253.922485	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Br"	78.918885
"1306684"	255.978472	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Cl+HCOOH"	80.974872
"1324180"	277.960429	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Cl+NaCOOH"	102.956829
"913779"	287.989186	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M-H+CF3COOH"	112.985586
"1291581"	323.965864	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Cl+CF3COOH"	148.962264
"1370109"	139.990924	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H-2H2O"	-35.012676
"1383596"	158.0009	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H-H2O"	-17.0027
"286202"	351.014476	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+H"	1.007276
"683001"	526.018076	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+H"	1.007276
"1362630"	176.010876	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H"	1.007276
"128233"	176.010876	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+2H"	2.014552
"573990"	263.512676	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+2H"	2.014552
"1048626"	88.509076	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2H"	2.014552
"217982"	117.676342666667	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+3H"	3.021828
"657181"	176.010876	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+3H"	3.021828
"1174577"	59.3418093333333	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+3H"	3.021828
"436026"	368.041023	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+NH4"	18.033823
"801235"	543.044623	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+NH4"	18.033823
"1691163"	193.037423	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+NH4"	18.033823
"341633"	184.5241495	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+H+NH4"	19.041099
"731869"	272.0259495	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+H+NH4"	19.041099
"1480221"	97.0223495	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H+NH4"	19.041099
"394160"	372.996418	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+Na"	22.989218
"758072"	548.000018	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+Na"	22.989218
"1606170"	197.992818	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Na"	22.989218
"320218"	187.001847	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+H+Na"	23.996494
"714827"	274.503647	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+H+Na"	23.996494
"1471925"	99.500047	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H+Na"	23.996494
"1056058"	66.6691233333333	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2H+Na"	25.00377
"1260652"	208.037086	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+CH3OH+H"	33.033486
"378134"	388.970358	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+K"	38.963158
"743140"	563.973958	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+K"	38.963158
"1547381"	213.966758	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+K"	38.963158
"301641"	194.988817	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+H+K"	39.970434
"698072"	282.490617	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+H+K"	39.970434
"1450071"	107.487017	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H+K"	39.970434
"237578"	392.041026	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+ACN+H"	42.033826
"1212105"	217.037426	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+ACN+H"	42.033826
"1195992"	109.022351	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+ACN+2H"	43.041102
"192146"	394.97836	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+2Na-H"	44.97116
"632801"	569.98196	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+2Na-H"	44.97116
"1141781"	219.97476	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2Na-H"	44.97116
"182886"	197.992818	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+2Na"	45.978436
"623540"	285.494618	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+2Na"	45.978436
"1121578"	110.491018	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2Na"	45.978436
"1407288"	73.9964373333333	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H+2Na"	46.985712
"1436123"	222.016346	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H+HCOOH"	47.012746
"226912"	203.02584	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+3H2O+2H"	56.04448
"1514975"	236.06839	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+IsoProp+H"	61.06479
"414662"	205.979788	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+Na+K"	61.952376
"773471"	293.481588	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+Na+K"	61.952376
"1668342"	118.477988	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Na+K"	61.952376
"255592"	414.022968	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+ACN+Na"	64.015768
"1229027"	239.019368	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+ACN+Na"	64.015768
"1714630"	239.042893	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+NH4+HCOOH"	64.039293
"1178725"	81.3237513333333	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+3Na"	68.967654
"1649924"	243.998288	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Na+HCOOH"	68.994688
"157131"	426.92624	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+2K-H"	76.91904
"597467"	601.92984	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+2K-H"	76.91904
"1086653"	251.92264	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2K-H"	76.91904
"150766"	213.966758	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"2M+2K"	77.926316
"592513"	301.468558	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"3M+2K"	77.926316
"1077027"	126.464958	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2K"	77.926316
"1114861"	253.937192	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2K+H"	78.933592
"1350755"	254.024807	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+DMSO+H"	79.021207
"1019526"	258.063976	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2ACN+H"	83.060376
"1538381"	259.057608	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+IsoProp+Na+H"	84.054008
"1000818"	129.535626	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+2ACN+2H"	84.067652
"1597508"	259.972228	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+K+HCOOH"	84.968628
"1428639"	290.003738	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+H+CF3COOH"	115.000138
"1157833"	150.048901	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+3ACN+2H"	125.094202
"1705197"	307.030285	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+NH4+CF3COOH"	132.026685
"1646313"	311.98568	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+Na+CF3COOH"	136.98208
"1577591"	327.95962	"C20670"	"2-Amino-5-chloromuconate 6-semialdehyde"	"C6H6ClNO3"	"175.0036"	"M+K+CF3COOH"	152.95602
"806867"	630.1088	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M"	0
"978213"	611.09041	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-H2O-H"	-19.01839
"65364"	419.065257333333	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M-3H"	-3.021828
"502983"	629.101524	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M-3H"	-3.021828
"880124"	209.028990666667	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-3H"	-3.021828
"1298"	629.101524	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M-2H"	-2.014552
"440203"	944.155924	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M-2H"	-2.014552
"817562"	314.047124	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-2H"	-2.014552
"79130"	1259.210324	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M-H"	-1.007276
"518674"	1889.319124	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M-H"	-1.007276
"896372"	629.101524	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-H"	-1.007276
"47954"	1276.236871	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M-2H+NH4"	16.019271
"488002"	1906.345671	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M-2H+NH4"	16.019271
"865561"	646.128071	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-2H+NH4"	16.019271
"36387"	1281.192266	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M-2H+Na"	20.974666
"475583"	1911.301066	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M-2H+Na"	20.974666
"852293"	651.083466	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-2H+Na"	20.974666
"1621827"	651.083466	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Na-2H"	20.974666
"95805"	647.089863	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M-H+Cl"	33.962126
"538646"	962.144263	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M-H+Cl"	33.962126
"931068"	332.035463	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-H+Cl"	33.962126
"271814"	1295.187002	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+Cl"	34.969402
"667518"	1925.295802	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+Cl"	34.969402
"1278827"	665.078202	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Cl"	34.969402
"27950"	1297.166206	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M-2H+K"	36.948606
"470065"	1927.275006	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M-2H+K"	36.948606
"847138"	667.057406	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-2H+K"	36.948606
"1565523"	667.057406	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+K-2H"	36.948606
"954499"	675.106994	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-H+HCOOH"	44.998194
"371256"	1305.215801	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+HCOOH-H"	44.998201
"358053"	1319.231451	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+Hac-H"	59.013851
"1504334"	689.122651	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Hac-H"	59.013851
"962033"	697.088951	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-H+NaCOOH"	66.980151
"113127"	665.078202	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+2Cl"	69.938804
"554874"	980.132602	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+2Cl"	69.938804
"1026955"	350.023802	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2Cl"	69.938804
"1244347"	709.027685	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Br"	78.918885
"1305701"	711.083672	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Cl+HCOOH"	80.974872
"1321374"	733.065629	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Cl+NaCOOH"	102.956829
"915349"	743.094386	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M-H+CF3COOH"	112.985586
"1293150"	779.071064	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Cl+CF3COOH"	148.962264
"1369126"	595.096124	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H-2H2O"	-35.012676
"1388813"	613.1061	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H-H2O"	-17.0027
"286312"	1261.224876	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+H"	1.007276
"683111"	1891.333676	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+H"	1.007276
"1360554"	631.116076	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H"	1.007276
"131259"	631.116076	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+2H"	2.014552
"575560"	946.170476	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+2H"	2.014552
"1048735"	316.061676	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2H"	2.014552
"219675"	421.079809333333	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+3H"	3.021828
"653640"	631.116076	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+3H"	3.021828
"1177602"	211.043542666667	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+3H"	3.021828
"435771"	1278.251423	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+NH4"	18.033823
"795671"	1908.360223	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+NH4"	18.033823
"1691274"	648.142623	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+NH4"	18.033823
"338461"	639.6293495	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+H+NH4"	19.041099
"726145"	954.6837495	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+H+NH4"	19.041099
"1478143"	324.5749495	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H+NH4"	19.041099
"394998"	1283.206818	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+Na"	22.989218
"755142"	1913.315618	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+Na"	22.989218
"1608102"	653.098018	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Na"	22.989218
"322514"	642.107047	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+H+Na"	23.996494
"714935"	957.161447	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+H+Na"	23.996494
"1467661"	327.052647	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H+Na"	23.996494
"1055804"	218.370856666667	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2H+Na"	25.00377
"1259668"	663.142286	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+CH3OH+H"	33.033486
"377218"	1299.180758	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+K"	38.963158
"738621"	1929.289558	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+K"	38.963158
"1545305"	669.071958	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+K"	38.963158
"303574"	650.094017	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+H+K"	39.970434
"695995"	965.148417	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+H+K"	39.970434
"1449815"	335.039617	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H+K"	39.970434
"236838"	1302.251426	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+ACN+H"	42.033826
"1211486"	672.142626	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+ACN+H"	42.033826
"1195369"	336.574951	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+ACN+2H"	43.041102
"190793"	1305.18876	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+2Na-H"	44.97116
"632180"	1935.29756	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+2Na-H"	44.97116
"1141527"	675.07996	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2Na-H"	44.97116
"180810"	653.098018	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+2Na"	45.978436
"620370"	968.152418	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+2Na"	45.978436
"1121688"	338.043618	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2Na"	45.978436
"1405211"	225.698170666667	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H+2Na"	46.985712
"1432586"	677.121546	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H+HCOOH"	47.012746
"227022"	658.13104	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+3H2O+2H"	56.04448
"1512898"	691.17359	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+IsoProp+H"	61.06479
"411488"	661.084988	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+Na+K"	61.952376
"776861"	976.139388	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+Na+K"	61.952376
"1669912"	346.030588	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Na+K"	61.952376
"255338"	1324.233368	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+ACN+Na"	64.015768
"1229138"	694.124568	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+ACN+Na"	64.015768
"1713323"	694.148093	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+NH4+HCOOH"	64.039293
"1178755"	233.025484666667	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+3Na"	68.967654
"1650059"	699.103488	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Na+HCOOH"	68.994688
"157266"	1337.13664	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+2K-H"	76.91904
"597695"	1967.24544	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+2K-H"	76.91904
"1087128"	707.02784	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2K-H"	76.91904
"155253"	669.071958	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"2M+2K"	77.926316
"591530"	984.126358	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"3M+2K"	77.926316
"1083948"	354.017558	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2K"	77.926316
"1115459"	709.042392	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2K+H"	78.933592
"1351072"	709.130007	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+DMSO+H"	79.021207
"1020736"	713.169176	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2ACN+H"	83.060376
"1539672"	714.162808	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+IsoProp+Na+H"	84.054008
"1004940"	357.088226	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+2ACN+2H"	84.067652
"1601265"	715.077428	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+K+HCOOH"	84.968628
"1429479"	745.108938	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+H+CF3COOH"	115.000138
"1160859"	377.601501	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+3ACN+2H"	125.094202
"1707494"	762.135485	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+NH4+CF3COOH"	132.026685
"1646423"	767.09088	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+Na+CF3COOH"	136.98208
"1580982"	783.06482	"C20672"	"GDP-4-acetamido-46-dideoxy-alpha-D-mannose;GDP-N-acetyl-alpha-D-perosamine"	"C18H28N6O15P2"	"630.1088"	"M+K+CF3COOH"	152.95602
"808070"	185.1052	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M"	0
"981603"	166.08681	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-H2O-H"	-19.01839
"65474"	122.396190666667	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M-3H"	-3.021828
"503206"	184.097924	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M-3H"	-3.021828
"882834"	60.6944573333333	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-3H"	-3.021828
"6875"	184.097924	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M-2H"	-2.014552
"441332"	276.650524	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M-2H"	-2.014552
"819862"	91.545324	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-2H"	-2.014552
"80216"	369.203124	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M-H"	-1.007276
"519525"	554.308324	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M-H"	-1.007276
"898307"	184.097924	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-H"	-1.007276
"47496"	386.229671	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M-2H+NH4"	16.019271
"488964"	571.334871	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M-2H+NH4"	16.019271
"866767"	201.124471	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-2H+NH4"	16.019271
"36497"	391.185066	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M-2H+Na"	20.974666
"475693"	576.290266	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M-2H+Na"	20.974666
"853132"	206.079866	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-2H+Na"	20.974666
"1621937"	206.079866	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Na-2H"	20.974666
"96278"	202.086263	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M-H+Cl"	33.962126
"537663"	294.638863	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M-H+Cl"	33.962126
"928626"	109.533663	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-H+Cl"	33.962126
"270830"	405.179802	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+Cl"	34.969402
"664348"	590.285002	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+Cl"	34.969402
"1276749"	220.074602	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Cl"	34.969402
"30246"	407.159006	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M-2H+K"	36.948606
"470175"	592.264206	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M-2H+K"	36.948606
"847612"	222.053806	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-2H+K"	36.948606
"1566727"	222.053806	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+K-2H"	36.948606
"954246"	230.103394	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-H+HCOOH"	44.998194
"371730"	415.208601	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+HCOOH-H"	44.998201
"360230"	429.224251	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+Hac-H"	59.013851
"1501164"	244.119051	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Hac-H"	59.013851
"965424"	252.085351	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-H+NaCOOH"	66.980151
"113602"	220.074602	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+2Cl"	69.938804
"554984"	312.627202	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+2Cl"	69.938804
"1025971"	127.522002	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2Cl"	69.938804
"1244456"	264.024085	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Br"	78.918885
"1306905"	266.080072	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Cl+HCOOH"	80.974872
"1320755"	288.062029	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Cl+NaCOOH"	102.956829
"915459"	298.090786	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M-H+CF3COOH"	112.985586
"1293260"	334.067464	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Cl+CF3COOH"	148.962264
"1371422"	150.092524	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H-2H2O"	-35.012676
"1388923"	168.1025	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H-H2O"	-17.0027
"286422"	371.217676	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+H"	1.007276
"682128"	556.322876	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+H"	1.007276
"1358477"	186.112476	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H"	1.007276
"130274"	186.112476	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+2H"	2.014552
"570930"	278.665076	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+2H"	2.014552
"1048117"	93.559876	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2H"	2.014552
"218811"	124.410742666667	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+3H"	3.021828
"653750"	186.112476	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+3H"	3.021828
"1176254"	62.7090093333333	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+3H"	3.021828
"436610"	388.244223	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+NH4"	18.033823
"796145"	573.349423	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+NH4"	18.033823
"1687011"	203.139023	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+NH4"	18.033823
"339664"	194.6257495	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+H+NH4"	19.041099
"727713"	287.1783495	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+H+NH4"	19.041099
"1478981"	102.0731495	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H+NH4"	19.041099
"394135"	393.199618	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+Na"	22.989218
"755981"	578.304818	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+Na"	22.989218
"1607119"	208.094418	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Na"	22.989218
"320440"	197.103447	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+H+Na"	23.996494
"715044"	289.656047	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+H+Na"	23.996494
"1464490"	104.550847	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H+Na"	23.996494
"1053481"	70.0363233333333	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2H+Na"	25.00377
"1258685"	218.138686	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+CH3OH+H"	33.033486
"377697"	409.173558	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+K"	38.963158
"740069"	594.278758	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+K"	38.963158
"1544319"	224.068358	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+K"	38.963158
"300404"	205.090417	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+H+K"	39.970434
"693919"	297.643017	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+H+K"	39.970434
"1446033"	112.537817	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H+K"	39.970434
"237432"	412.244226	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+ACN+H"	42.033826
"1210867"	227.139026	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+ACN+H"	42.033826
"1194466"	114.073151	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+ACN+2H"	43.041102
"191268"	415.18156	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+2Na-H"	44.97116
"632286"	600.28676	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+2Na-H"	44.97116
"1142001"	230.07636	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2Na-H"	44.97116
"184199"	208.094418	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+2Na"	45.978436
"624125"	300.647018	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+2Na"	45.978436
"1121798"	115.541818	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2Na"	45.978436
"1405321"	77.3636373333333	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H+2Na"	46.985712
"1434156"	232.117946	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H+HCOOH"	47.012746
"227132"	213.12744	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+3H2O+2H"	56.04448
"1515194"	246.16999	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+IsoProp+H"	61.06479
"414882"	216.081388	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+Na+K"	61.952376
"776971"	308.633988	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+Na+K"	61.952376
"1668926"	123.528788	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Na+K"	61.952376
"255443"	434.226168	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+ACN+Na"	64.015768
"1229249"	249.120968	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+ACN+Na"	64.015768
"1714486"	249.144493	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+NH4+HCOOH"	64.039293
"1178907"	84.6909513333333	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+3Na"	68.967654
"1649941"	254.099888	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Na+HCOOH"	68.994688
"158416"	447.12944	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+2K-H"	76.91904
"597154"	632.23464	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+2K-H"	76.91904
"1087238"	262.02424	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2K-H"	76.91904
"154876"	224.068358	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"2M+2K"	77.926316
"592734"	316.620958	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"3M+2K"	77.926316
"1080530"	131.515758	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2K"	77.926316
"1111555"	264.038792	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2K+H"	78.933592
"1347939"	264.126407	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+DMSO+H"	79.021207
"1019748"	268.165576	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2ACN+H"	83.060376
"1536782"	269.159208	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+IsoProp+Na+H"	84.054008
"1003227"	134.586426	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+2ACN+2H"	84.067652
"1601741"	270.073828	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+K+HCOOH"	84.968628
"1427400"	300.105338	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+H+CF3COOH"	115.000138
"1161212"	155.099701	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+3ACN+2H"	125.094202
"1708697"	317.131885	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+NH4+CF3COOH"	132.026685
"1646169"	322.08728	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+Na+CF3COOH"	136.98208
"1581092"	338.06122	"C20673"	"N-Isovaleryl-L-homoserine lactone"	"C9H15NO3"	"185.1052"	"M+K+CF3COOH"	152.95602
"811461"	298.1151	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M"	0
"978432"	279.09671	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-H2O-H"	-19.01839
"63761"	197.736124	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M-3H"	-3.021828
"508423"	297.107824	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M-3H"	-3.021828
"882945"	98.364424	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-3H"	-3.021828
"3707"	297.107824	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M-2H"	-2.014552
"441077"	446.165374	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M-2H"	-2.014552
"818997"	148.050274	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-2H"	-2.014552
"85430"	595.222924	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M-H"	-1.007276
"521710"	893.338024	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M-H"	-1.007276
"897445"	297.107824	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-H"	-1.007276
"50607"	612.249471	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M-2H+NH4"	16.019271
"487529"	910.364571	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M-2H+NH4"	16.019271
"864928"	314.134371	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-2H+NH4"	16.019271
"35512"	617.204866	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M-2H+Na"	20.974666
"475074"	915.319966	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M-2H+Na"	20.974666
"851052"	319.089766	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-2H+Na"	20.974666
"1626058"	319.089766	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Na-2H"	20.974666
"97116"	315.096163	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M-H+Cl"	33.962126
"537041"	464.153713	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M-H+Cl"	33.962126
"930193"	166.038613	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-H+Cl"	33.962126
"272034"	631.199602	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+Cl"	34.969402
"662636"	929.314702	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+Cl"	34.969402
"1279050"	333.084502	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Cl"	34.969402
"30003"	633.178806	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M-2H+K"	36.948606
"470290"	931.293906	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M-2H+K"	36.948606
"846636"	335.063706	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-2H+K"	36.948606
"1569755"	335.063706	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+K-2H"	36.948606
"957154"	343.113294	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-H+HCOOH"	44.998194
"374757"	641.228401	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+HCOOH-H"	44.998201
"360955"	655.244051	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+Hac-H"	59.013851
"1501275"	357.128951	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Hac-H"	59.013851
"968450"	365.095251	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-H+NaCOOH"	66.980151
"124283"	333.084502	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+2Cl"	69.938804
"560561"	482.142052	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+2Cl"	69.938804
"1030454"	184.026952	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2Cl"	69.938804
"1255499"	377.033985	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Br"	78.918885
"1307015"	379.089972	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Cl+HCOOH"	80.974872
"1326698"	401.071929	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Cl+NaCOOH"	102.956829
"918849"	411.100686	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M-H+CF3COOH"	112.985586
"1288628"	447.077364	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Cl+CF3COOH"	148.962264
"1373725"	263.102424	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H-2H2O"	-35.012676
"1386847"	281.1124	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H-H2O"	-17.0027
"287631"	597.237476	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+H"	1.007276
"681144"	895.352576	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+H"	1.007276
"1355306"	299.122376	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H"	1.007276
"129288"	299.122376	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+2H"	2.014552
"568847"	448.179926	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+2H"	2.014552
"1044212"	150.064826	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2H"	2.014552
"212114"	199.750676	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+3H"	3.021828
"650582"	299.122376	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+3H"	3.021828
"1176731"	100.378976	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+3H"	3.021828
"430887"	614.264023	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+NH4"	18.033823
"789694"	912.379123	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+NH4"	18.033823
"1686393"	316.148923	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+NH4"	18.033823
"334673"	307.6356495	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+H+NH4"	19.041099
"728918"	456.6931995	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+H+NH4"	19.041099
"1479090"	158.5780995	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H+NH4"	19.041099
"395947"	619.219418	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+Na"	22.989218
"756213"	917.334518	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+Na"	22.989218
"1606499"	321.104318	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Na"	22.989218
"319452"	310.113347	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+H+Na"	23.996494
"712967"	459.170897	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+H+Na"	23.996494
"1461919"	161.055797	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H+Na"	23.996494
"1053704"	107.70629	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2H+Na"	25.00377
"1257452"	331.148586	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+CH3OH+H"	33.033486
"378579"	635.193358	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+K"	38.963158
"738886"	933.308458	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+K"	38.963158
"1543338"	337.078258	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+K"	38.963158
"302700"	318.100317	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+H+K"	39.970434
"692934"	467.157867	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+H+K"	39.970434
"1447481"	169.042767	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H+K"	39.970434
"236812"	638.264026	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+ACN+H"	42.033826
"1211708"	340.148926	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+ACN+H"	42.033826
"1194656"	170.578101	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+ACN+2H"	43.041102
"191014"	641.20136	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+2Na-H"	44.97116
"630945"	939.31646	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+2Na-H"	44.97116
"1136277"	343.08626	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2Na-H"	44.97116
"182123"	321.104318	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+2Na"	45.978436
"621683"	470.161868	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+2Na"	45.978436
"1121908"	172.046768	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2Na"	45.978436
"1405431"	115.033604	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H+2Na"	46.985712
"1431714"	345.127846	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H+HCOOH"	47.012746
"228335"	326.13734	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+3H2O+2H"	56.04448
"1513117"	359.17989	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+IsoProp+H"	61.06479
"412804"	329.091288	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+Na+K"	61.952376
"773069"	478.148838	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+Na+K"	61.952376
"1669037"	180.033738	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Na+K"	61.952376
"254099"	660.245968	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+ACN+Na"	64.015768
"1228631"	362.130868	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+ACN+Na"	64.015768
"1713260"	362.154393	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+NH4+HCOOH"	64.039293
"1179221"	122.360918	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+3Na"	68.967654
"1650452"	367.109788	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Na+HCOOH"	68.994688
"157391"	673.14924	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+2K-H"	76.91904
"599919"	971.26434	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+2K-H"	76.91904
"1090998"	375.03414	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2K-H"	76.91904
"155962"	337.078258	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"2M+2K"	77.926316
"589563"	486.135808	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"3M+2K"	77.926316
"1082828"	188.020708	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2K"	77.926316
"1112752"	377.048692	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2K+H"	78.933592
"1349994"	377.136307	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+DMSO+H"	79.021207
"1020465"	381.175476	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2ACN+H"	83.060376
"1535794"	382.169108	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+IsoProp+Na+H"	84.054008
"1003334"	191.091376	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+2ACN+2H"	84.067652
"1597839"	383.083728	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+K+HCOOH"	84.968628
"1427875"	413.115238	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+H+CF3COOH"	115.000138
"1159984"	211.604651	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+3ACN+2H"	125.094202
"1708806"	430.141785	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+NH4+CF3COOH"	132.026685
"1646643"	435.09718	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+Na+CF3COOH"	136.98208
"1581202"	451.07112	"C20674"	"N7-Methylguanosine"	"C11H16N5O5"	"298.1151"	"M+K+CF3COOH"	152.95602
"806102"	247.0845	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M"	0
"984010"	228.06611	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-H2O-H"	-19.01839
"71162"	163.715724	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M-3H"	-3.021828
"514001"	246.077224	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M-3H"	-3.021828
"886337"	81.354224	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-3H"	-3.021828
"7099"	246.077224	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M-2H"	-2.014552
"447752"	369.619474	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M-2H"	-2.014552
"821177"	122.534974	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-2H"	-2.014552
"82627"	493.161724	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M-H"	-1.007276
"520729"	740.246224	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M-H"	-1.007276
"898894"	246.077224	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-H"	-1.007276
"49261"	510.188271	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M-2H+NH4"	16.019271
"488819"	757.272771	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M-2H+NH4"	16.019271
"869177"	263.103771	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-2H+NH4"	16.019271
"40363"	515.143666	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M-2H+Na"	20.974666
"482112"	762.228166	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M-2H+Na"	20.974666
"856634"	268.059166	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-2H+Na"	20.974666
"1630177"	268.059166	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Na-2H"	20.974666
"102696"	264.065563	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M-H+Cl"	33.962126
"538977"	387.607813	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M-H+Cl"	33.962126
"935772"	140.523313	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-H+Cl"	33.962126
"275424"	529.138402	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+Cl"	34.969402
"666749"	776.222902	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+Cl"	34.969402
"1285358"	282.053902	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Cl"	34.969402
"28280"	531.117606	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M-2H+K"	36.948606
"470894"	778.202106	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M-2H+K"	36.948606
"848202"	284.033106	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-2H+K"	36.948606
"1571043"	284.033106	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+K-2H"	36.948606
"957265"	292.082694	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-H+HCOOH"	44.998194
"376448"	539.167201	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+HCOOH-H"	44.998201
"361296"	553.182851	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+Hac-H"	59.013851
"1503572"	306.098351	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Hac-H"	59.013851
"968561"	314.064651	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-H+NaCOOH"	66.980151
"116739"	282.053902	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+2Cl"	69.938804
"553383"	405.596152	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+2Cl"	69.938804
"1026191"	158.511652	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2Cl"	69.938804
"1247957"	326.003385	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Br"	78.918885
"1308218"	328.059372	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Cl+HCOOH"	80.974872
"1325715"	350.041329	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Cl+NaCOOH"	102.956829
"914586"	360.070086	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M-H+CF3COOH"	112.985586
"1289593"	396.046764	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Cl+CF3COOH"	148.962264
"1376020"	212.071824	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H-2H2O"	-35.012676
"1391331"	230.0818	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H-H2O"	-17.0027
"292112"	495.176276	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+H"	1.007276
"679067"	742.260776	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+H"	1.007276
"1356509"	248.091776	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H"	1.007276
"129766"	248.091776	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+2H"	2.014552
"573336"	371.634026	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+2H"	2.014552
"1045418"	124.549526	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2H"	2.014552
"210038"	165.730276	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+3H"	3.021828
"653970"	248.091776	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+3H"	3.021828
"1168814"	83.368776	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+3H"	3.021828
"432088"	512.202823	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+NH4"	18.033823
"793085"	759.287323	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+NH4"	18.033823
"1683950"	265.118323	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+NH4"	18.033823
"336604"	256.6050495	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+H+NH4"	19.041099
"729026"	380.1472995	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+H+NH4"	19.041099
"1478835"	133.0627995	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H+NH4"	19.041099
"396057"	517.158218	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+Na"	22.989218
"756689"	764.242718	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+Na"	22.989218
"1605516"	270.073718	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Na"	22.989218
"318833"	259.082747	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+H+Na"	23.996494
"709798"	382.624997	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+H+Na"	23.996494
"1465805"	135.540497	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H+Na"	23.996494
"1059052"	90.69609	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2H+Na"	25.00377
"1258905"	280.117986	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+CH3OH+H"	33.033486
"377714"	533.132158	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+K"	38.963158
"738576"	780.216658	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+K"	38.963158
"1547821"	286.047658	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+K"	38.963158
"303177"	267.069717	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+H+K"	39.970434
"693409"	390.611967	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+H+K"	39.970434
"1447596"	143.527467	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H+K"	39.970434
"237288"	536.202826	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+ACN+H"	42.033826
"1210475"	289.118326	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+ACN+H"	42.033826
"1195703"	145.062801	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+ACN+2H"	43.041102
"190396"	539.14016	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+2Na-H"	44.97116
"631420"	786.22466	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+2Na-H"	44.97116
"1143314"	292.05566	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2Na-H"	44.97116
"184419"	270.073718	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+2Na"	45.978436
"617421"	393.615968	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+2Na"	45.978436
"1122019"	146.531468	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2Na"	45.978436
"1402262"	98.023404	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H+2Na"	46.985712
"1431461"	294.097246	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H+HCOOH"	47.012746
"225167"	275.10674	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+3H2O+2H"	56.04448
"1511041"	308.14929	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+IsoProp+H"	61.06479
"415102"	278.060688	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+Na+K"	61.952376
"777191"	401.602938	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+Na+K"	61.952376
"1673522"	154.518438	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Na+K"	61.952376
"256762"	558.184768	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+ACN+Na"	64.015768
"1228375"	311.100268	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+ACN+Na"	64.015768
"1714710"	311.123793	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+NH4+HCOOH"	64.039293
"1180065"	105.350718	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+3Na"	68.967654
"1650927"	316.079188	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Na+HCOOH"	68.994688
"157786"	571.08804	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+2K-H"	76.91904
"601123"	818.17254	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+2K-H"	76.91904
"1094388"	324.00354	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2K-H"	76.91904
"155827"	286.047658	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"2M+2K"	77.926316
"594051"	409.589908	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"3M+2K"	77.926316
"1083549"	162.505408	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2K"	77.926316
"1115262"	326.018092	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2K+H"	78.933592
"1350226"	326.105707	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+DMSO+H"	79.021207
"1020943"	330.144876	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2ACN+H"	83.060376
"1539431"	331.138508	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+IsoProp+Na+H"	84.054008
"1005030"	165.576076	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+2ACN+2H"	84.067652
"1602571"	332.053128	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+K+HCOOH"	84.968628
"1426891"	362.084638	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+H+CF3COOH"	115.000138
"1159366"	186.089351	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+3ACN+2H"	125.094202
"1712522"	379.111185	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+NH4+CF3COOH"	132.026685
"1647483"	384.06658	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+Na+CF3COOH"	136.98208
"1581314"	400.04052	"C20677"	"N-(4-Coumaroyl)-L-homoserine lactone"	"C13H13NO4"	"247.0845"	"M+K+CF3COOH"	152.95602
"805119"	886.4926	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M"	0
"981933"	867.47421	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-H2O-H"	-19.01839
"70176"	589.987790666667	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M-3H"	-3.021828
"507551"	885.485324	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M-3H"	-3.021828
"888631"	294.490257333333	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-3H"	-3.021828
"5020"	885.485324	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M-2H"	-2.014552
"442026"	1328.731624	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M-2H"	-2.014552
"819461"	442.239024	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-2H"	-2.014552
"82735"	1771.977924	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M-H"	-1.007276
"521198"	2658.470524	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M-H"	-1.007276
"898273"	885.485324	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-H"	-1.007276
"49367"	1789.004471	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M-2H+NH4"	16.019271
"488444"	2675.497071	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M-2H+NH4"	16.019271
"865392"	902.511871	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-2H+NH4"	16.019271
"33418"	1793.959866	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M-2H+Na"	20.974666
"475656"	2680.452466	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M-2H+Na"	20.974666
"858929"	907.467266	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-2H+Na"	20.974666
"1625183"	907.467266	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Na-2H"	20.974666
"102806"	903.473663	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M-H+Cl"	33.962126
"541273"	1346.719963	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M-H+Cl"	33.962126
"938068"	460.227363	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-H+Cl"	33.962126
"275534"	1807.954602	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+Cl"	34.969402
"666859"	2694.447202	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+Cl"	34.969402
"1285468"	921.462002	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Cl"	34.969402
"30901"	1809.933806	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M-2H+K"	36.948606
"470880"	2696.426406	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M-2H+K"	36.948606
"847584"	923.441206	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-2H+K"	36.948606
"1569978"	923.441206	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+K-2H"	36.948606
"957131"	931.490794	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-H+HCOOH"	44.998194
"377019"	1817.983401	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+HCOOH-H"	44.998201
"361098"	1831.999051	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+Hac-H"	59.013851
"1502588"	945.506451	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Hac-H"	59.013851
"966849"	953.472751	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-H+NaCOOH"	66.980151
"116849"	921.462002	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+2Cl"	69.938804
"554221"	1364.708302	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+2Cl"	69.938804
"1025207"	478.215702	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2Cl"	69.938804
"1245879"	965.411485	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Br"	78.918885
"1308327"	967.467472	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Cl+HCOOH"	80.974872
"1324731"	989.449429	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Cl+NaCOOH"	102.956829
"914696"	999.478186	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M-H+CF3COOH"	112.985586
"1289822"	1035.454864	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Cl+CF3COOH"	148.962264
"1376130"	851.479924	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H-2H2O"	-35.012676
"1385972"	869.4899	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H-H2O"	-17.0027
"293315"	1773.992476	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+H"	1.007276
"684645"	2660.485076	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+H"	1.007276
"1357712"	887.499876	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H"	1.007276
"128418"	887.499876	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+2H"	2.014552
"570164"	1330.746176	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+2H"	2.014552
"1046621"	444.253576	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2H"	2.014552
"210148"	592.002342666667	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+3H"	3.021828
"652987"	887.499876	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+3H"	3.021828
"1170017"	296.504809333333	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+3H"	3.021828
"434384"	1791.019023	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+NH4"	18.033823
"791008"	2677.511623	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+NH4"	18.033823
"1684423"	904.526423	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+NH4"	18.033823
"335621"	896.0131495	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+H+NH4"	19.041099
"730229"	1339.2594495	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+H+NH4"	19.041099
"1481132"	452.7668495	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H+NH4"	19.041099
"398354"	1795.974418	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+Na"	22.989218
"754978"	2682.467018	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+Na"	22.989218
"1609638"	909.481818	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Na"	22.989218
"316391"	898.490847	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+H+Na"	23.996494
"707594"	1341.737147	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+H+Na"	23.996494
"1461732"	455.244547	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H+Na"	23.996494
"1053319"	303.832123333333	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2H+Na"	25.00377
"1257674"	919.526086	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+CH3OH+H"	33.033486
"378067"	1811.948358	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+K"	38.963158
"738946"	2698.440958	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+K"	38.963158
"1545015"	925.455758	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+K"	38.963158
"303287"	906.477817	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+H+K"	39.970434
"694245"	1349.724117	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+H+K"	39.970434
"1450258"	463.231517	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H+K"	39.970434
"236303"	1815.019026	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+ACN+H"	42.033826
"1210587"	928.526426	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+ACN+H"	42.033826
"1197269"	464.766851	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+ACN+2H"	43.041102
"189533"	1817.95636	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+2Na-H"	44.97116
"630799"	2704.44896	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+2Na-H"	44.97116
"1144517"	931.46376	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2Na-H"	44.97116
"181248"	909.481818	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+2Na"	45.978436
"619718"	1352.728118	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+2Na"	45.978436
"1122129"	466.235518	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2Na"	45.978436
"1402372"	311.159437333333	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H+2Na"	46.985712
"1434487"	933.505346	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H+HCOOH"	47.012746
"225277"	914.51484	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+3H2O+2H"	56.04448
"1512244"	947.55739	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+IsoProp+H"	61.06479
"415212"	917.468788	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+Na+K"	61.952376
"777301"	1360.715088	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+Na+K"	61.952376
"1673632"	474.222488	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Na+K"	61.952376
"256872"	1837.000968	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+ACN+Na"	64.015768
"1228486"	950.508368	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+ACN+Na"	64.015768
"1714823"	950.531893	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+NH4+HCOOH"	64.039293
"1179813"	318.486751333333	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+3Na"	68.967654
"1651401"	955.487288	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Na+HCOOH"	68.994688
"157899"	1849.90424	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+2K-H"	76.91904
"601233"	2736.39684	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+2K-H"	76.91904
"1096685"	963.41164	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2K-H"	76.91904
"156669"	925.455758	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"2M+2K"	77.926316
"596921"	1368.702058	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"3M+2K"	77.926316
"1083905"	482.209458	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2K"	77.926316
"1114564"	965.426192	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2K+H"	78.933592
"1350905"	965.513807	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+DMSO+H"	79.021207
"1020079"	969.552976	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2ACN+H"	83.060376
"1538568"	970.546608	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+IsoProp+Na+H"	84.054008
"1004653"	485.280126	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+2ACN+2H"	84.067652
"1602195"	971.461228	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+K+HCOOH"	84.968628
"1429188"	1001.492738	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+H+CF3COOH"	115.000138
"1161419"	505.793401	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+3ACN+2H"	125.094202
"1712186"	1018.519285	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+NH4+CF3COOH"	132.026685
"1646862"	1023.47468	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+Na+CF3COOH"	136.98208
"1581424"	1039.44862	"C20678"	"26-Deglucoprotodioscin"	"C45H74O17"	"886.4926"	"M+K+CF3COOH"	152.95602
"802434"	249.9462	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M"	0
"982043"	230.92781	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-H2O-H"	-19.01839
"71379"	165.623524	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M-3H"	-3.021828
"507661"	248.938924	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M-3H"	-3.021828
"888741"	82.308124	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-3H"	-3.021828
"6223"	248.938924	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M-2H"	-2.014552
"441772"	373.912024	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M-2H"	-2.014552
"818115"	123.965824	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-2H"	-2.014552
"85762"	498.885124	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M-H"	-1.007276
"518958"	748.831324	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M-H"	-1.007276
"899114"	248.938924	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-H"	-1.007276
"50210"	515.911671	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M-2H+NH4"	16.019271
"489770"	765.857871	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M-2H+NH4"	16.019271
"864895"	265.965471	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-2H+NH4"	16.019271
"32921"	520.867066	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M-2H+Na"	20.974666
"471552"	770.813266	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M-2H+Na"	20.974666
"849923"	270.920866	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-2H+Na"	20.974666
"1620186"	270.920866	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Na-2H"	20.974666
"104009"	266.927263	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M-H+Cl"	33.962126
"542476"	391.900363	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M-H+Cl"	33.962126
"939271"	141.954163	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-H+Cl"	33.962126
"272360"	534.861802	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+Cl"	34.969402
"669158"	784.808002	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+Cl"	34.969402
"1277186"	284.915602	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Cl"	34.969402
"31094"	536.841006	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M-2H+K"	36.948606
"471258"	786.787206	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M-2H+K"	36.948606
"847330"	286.894806	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-2H+K"	36.948606
"1570698"	286.894806	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+K-2H"	36.948606
"958487"	294.944394	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-H+HCOOH"	44.998194
"374723"	544.890601	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+HCOOH-H"	44.998201
"361125"	558.906251	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+Hac-H"	59.013851
"1501606"	308.960051	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Hac-H"	59.013851
"966959"	316.926351	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-H+NaCOOH"	66.980151
"118052"	284.915602	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+2Cl"	69.938804
"554333"	409.888702	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+2Cl"	69.938804
"1026411"	159.942502	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2Cl"	69.938804
"1244166"	328.865085	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Br"	78.918885
"1308437"	330.921072	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Cl+HCOOH"	80.974872
"1325935"	352.903029	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Cl+NaCOOH"	102.956829
"913713"	362.931786	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M-H+CF3COOH"	112.985586
"1288754"	398.908464	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Cl+CF3COOH"	148.962264
"1375147"	214.933524	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H-2H2O"	-35.012676
"1391551"	232.9435	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H-H2O"	-17.0027
"287956"	500.899676	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+H"	1.007276
"685848"	750.845876	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+H"	1.007276
"1357826"	250.953476	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H"	1.007276
"129618"	250.953476	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+2H"	2.014552
"571367"	375.926576	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+2H"	2.014552
"1047460"	125.980376	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2H"	2.014552
"215724"	167.638076	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+3H"	3.021828
"650910"	250.953476	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+3H"	3.021828
"1170127"	84.322676	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+3H"	3.021828
"433401"	517.926223	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+NH4"	18.033823
"790386"	767.872423	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+NH4"	18.033823
"1684166"	267.980023	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+NH4"	18.033823
"335731"	259.4667495	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+H+NH4"	19.041099
"729246"	384.4398495	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+H+NH4"	19.041099
"1478201"	134.4936495	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H+NH4"	19.041099
"396279"	522.881618	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+Na"	22.989218
"757274"	772.827818	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+Na"	22.989218
"1606468"	272.935418	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Na"	22.989218
"316865"	261.944447	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+H+Na"	23.996494
"708195"	386.917547	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+H+Na"	23.996494
"1462133"	136.971347	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H+Na"	23.996494
"1053559"	91.64999	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2H+Na"	25.00377
"1257072"	282.979686	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+CH3OH+H"	33.033486
"377360"	538.855558	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+K"	38.963158
"741614"	788.801758	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+K"	38.963158
"1545857"	288.909358	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+K"	38.963158
"304127"	269.931417	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+H+K"	39.970434
"693024"	394.904517	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+H+K"	39.970434
"1447817"	144.958317	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H+K"	39.970434
"236415"	541.926226	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+ACN+H"	42.033826
"1211676"	291.980026	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+ACN+H"	42.033826
"1195922"	146.493651	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+ACN+2H"	43.041102
"189525"	544.86356	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+2Na-H"	44.97116
"630545"	794.80976	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+2Na-H"	44.97116
"1143534"	294.91736	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2Na-H"	44.97116
"185733"	272.935418	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+2Na"	45.978436
"622014"	397.908518	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+2Na"	45.978436
"1124426"	147.962318	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2Na"	45.978436
"1404670"	98.977304	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H+2Na"	46.985712
"1434597"	296.958946	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H+HCOOH"	47.012746
"225386"	277.96844	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+3H2O+2H"	56.04448
"1512354"	311.01099	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+IsoProp+H"	61.06479
"409607"	280.922388	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+Na+K"	61.952376
"771941"	405.895488	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+Na+K"	61.952376
"1673742"	155.949288	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Na+K"	61.952376
"254794"	563.908168	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+ACN+Na"	64.015768
"1228958"	313.961968	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+ACN+Na"	64.015768
"1713840"	313.985493	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+NH4+HCOOH"	64.039293
"1179434"	106.304618	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+3Na"	68.967654
"1651029"	318.940888	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Na+HCOOH"	68.994688
"158253"	576.81144	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+2K-H"	76.91904
"601343"	826.75764	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+2K-H"	76.91904
"1096795"	326.86524	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2K-H"	76.91904
"154707"	288.909358	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"2M+2K"	77.926316
"596591"	413.882458	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"3M+2K"	77.926316
"1084055"	163.936258	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2K"	77.926316
"1115162"	328.879792	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2K+H"	78.933592
"1350939"	328.967407	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+DMSO+H"	79.021207
"1020674"	333.006576	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2ACN+H"	83.060376
"1538799"	334.000208	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+IsoProp+Na+H"	84.054008
"1005550"	167.006926	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+2ACN+2H"	84.067652
"1601086"	334.914828	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+K+HCOOH"	84.968628
"1429661"	364.946338	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+H+CF3COOH"	115.000138
"1160678"	187.520201	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+3ACN+2H"	125.094202
"1711931"	381.972885	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+NH4+CF3COOH"	132.026685
"1645879"	386.92828	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+Na+CF3COOH"	136.98208
"1581534"	402.90222	"C20679"	"Tungstate;Tungstic acid"	"WH2O4"	"249.9462"	"M+K+CF3COOH"	152.95602
"810807"	178.0477	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M"	0
"981060"	159.02931	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"70396"	117.691190666667	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"504489"	177.040424	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"886663"	58.3419573333333	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"4146"	177.040424	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"442612"	266.064274	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"819318"	88.016574	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"86965"	355.088124	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"521422"	533.135824	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"900682"	177.040424	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"50317"	372.114671	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"492068"	550.162371	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"866952"	194.066971	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"33149"	377.070066	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"472229"	555.117766	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"851493"	199.022366	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1622122"	199.022366	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"99746"	195.028763	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"537120"	284.052613	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"933915"	106.004913	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"268097"	391.064802	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"668175"	569.112502	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1277296"	213.017102	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"29702"	393.044006	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"471021"	571.091706	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"848446"	214.996306	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1571058"	214.996306	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"958129"	223.045894	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"374833"	401.093601	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"361031"	415.109251	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1501716"	237.061551	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"967070"	245.027851	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"118163"	213.017102	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"556630"	302.040952	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1026522"	123.993252	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1243912"	256.966585	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1306361"	259.022572	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1322764"	281.004529	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"912120"	291.033286	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1288821"	327.009964	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1374164"	143.035024	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1392755"	161.045	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"290254"	357.102676	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"681584"	535.150376	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1355749"	179.054976	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"128635"	179.054976	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"572570"	268.078826	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1047570"	90.031126	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"215834"	119.705742666667	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"649927"	179.054976	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1168051"	60.3565093333333	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"433511"	374.129223	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"791226"	552.176923	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1684278"	196.081523	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"339121"	187.5682495	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"729356"	276.5920995	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1477581"	98.5443995	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"395660"	379.084618	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"757384"	557.132318	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1607671"	201.036918	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"315882"	190.045947	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"707248"	279.069797	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1461750"	101.022097	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1053912"	67.6838233333333	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1257413"	211.081186	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"377202"	395.058558	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"738516"	573.106258	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1545967"	217.010858	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"301321"	198.032917	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"692648"	287.056767	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1448291"	109.009067	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"240174"	398.129226	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1212514"	220.081526	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1196399"	110.544401	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"189265"	401.06656	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"631388"	579.11426	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1141458"	223.01886	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"177096"	201.036918	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"614103"	290.060768	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1115827"	112.013068	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1398701"	75.0111373333333	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1430047"	225.060446	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"220143"	206.06994	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1509546"	239.11249	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"408616"	209.023888	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"771684"	298.047738	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1667291"	120.000038	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"253810"	420.111168	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1226881"	242.063468	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1713584"	242.086993	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1179424"	82.3384513333333	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1652113"	247.042388	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"157213"	433.01444	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"598168"	611.06214	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1085235"	254.96674	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"151534"	217.010858	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"593283"	306.034708	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1083999"	127.987008	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1115619"	256.981292	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1349577"	257.068907	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1021293"	261.108076	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1538668"	262.101708	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"1004875"	131.057676	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1601441"	263.016328	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1428313"	293.047838	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1158601"	151.570951	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1712406"	310.074385	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1643801"	315.02978	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1581644"	331.00372	"C20680"	"2-Dehydro-3-deoxy-L-galactonate;2-Keto-3-deoxy-L-galactonate;L-threo-3-Deoxy-hexulosonate"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"805450"	290.261	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M"	0
"981170"	271.24261	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"69414"	192.500057333333	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"505693"	289.253724	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"880212"	95.7463906666667	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"5349"	289.253724	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"441628"	434.384224	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"817970"	144.123224	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"82702"	579.514724	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"524448"	869.775724	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"897875"	289.253724	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-H"	-1.007276
"50062"	596.541271	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"488771"	886.802271	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"866331"	306.280271	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"33138"	601.496666	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"472333"	891.757666	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"849446"	311.235666	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1620405"	311.235666	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"94586"	307.242063	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"534550"	452.372563	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"927089"	162.111563	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"267953"	615.491402	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"661845"	905.752402	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1285075"	325.230402	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"31353"	617.470606	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"471194"	907.731606	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"848242"	327.209606	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1570922"	327.209606	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"958276"	335.259194	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"376408"	625.520201	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"359555"	639.535851	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1507781"	349.274851	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"972647"	357.241151	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"117181"	325.230402	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"562937"	470.360902	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1028819"	180.099902	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1246211"	369.179885	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1310845"	371.235872	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1321778"	393.217829	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"912106"	403.246586	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1289791"	439.223264	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1370992"	255.248324	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1388488"	273.2583	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"291456"	581.529276	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+H"	1.007276
"681694"	871.790276	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1356953"	291.268276	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H"	1.007276
"128747"	291.268276	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"568305"	436.398776	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1040747"	146.137776	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2H"	2.014552
"210473"	194.514609333333	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"648212"	291.268276	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1168159"	97.7609426666667	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+3H"	3.021828
"429248"	598.555823	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"790241"	888.816823	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1681958"	308.294823	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"331573"	299.7815495	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"726550"	444.9120495	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1479639"	154.6510495	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"393334"	603.511218	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"756400"	893.772218	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1604500"	313.250218	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Na"	22.989218
"318910"	302.259247	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"708171"	447.389747	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1461490"	157.128747	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1053282"	105.088256666667	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1258251"	323.294486	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"377425"	619.485158	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+K"	38.963158
"738909"	909.746158	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1542430"	329.224158	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+K"	38.963158
"301064"	310.246217	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"694581"	455.376717	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1448400"	165.115717	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"236020"	622.555826	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1210920"	332.294826	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1195087"	166.651051	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"193034"	625.49316	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"629673"	915.75416	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1142660"	335.23216	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"180487"	313.250218	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"617859"	458.380718	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1121363"	168.119718	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1404886"	112.415570666667	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1431533"	337.273746	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"222322"	318.28324	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1511479"	351.32579	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"409580"	321.237188	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"770086"	466.367688	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1667402"	176.106688	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"252458"	644.537768	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1227719"	354.276768	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1713451"	354.300293	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1179049"	119.742884666667	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1650231"	359.255688	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"157418"	657.44104	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"598154"	947.70204	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1088264"	367.18004	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"146537"	329.224158	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"590111"	474.354658	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1080091"	184.093658	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1107832"	369.194592	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1350178"	369.282207	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1019800"	373.321376	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1539142"	374.315008	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"1004499"	187.164326	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1599486"	375.229628	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1426239"	405.261138	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1160898"	207.677601	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1709356"	422.287685	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1649259"	427.24308	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1581754"	443.21702	"C20681"	"(EE)-Geranyllinalool"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"802644"	548.0808	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M"	0
"981280"	529.06241	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-H2O-H"	-19.01839
"68430"	364.379924	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M-3H"	-3.021828
"510176"	547.073524	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M-3H"	-3.021828
"884697"	181.686324	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-3H"	-3.021828
"5458"	547.073524	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H"	-2.014552
"446112"	821.113924	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H"	-2.014552
"825006"	273.033124	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-2H"	-2.014552
"86092"	1095.154324	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M-H"	-1.007276
"524923"	1643.235124	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M-H"	-1.007276
"899810"	547.073524	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-H"	-1.007276
"55644"	1112.180871	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+NH4"	16.019271
"490465"	1660.261671	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+NH4"	16.019271
"867538"	564.100071	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-2H+NH4"	16.019271
"34346"	1117.136266	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+Na"	20.974666
"476823"	1665.217066	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+Na"	20.974666
"852438"	569.055466	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-2H+Na"	20.974666
"1620152"	569.055466	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Na-2H"	20.974666
"97046"	565.061863	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M-H+Cl"	33.962126
"536971"	839.102263	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M-H+Cl"	33.962126
"933041"	291.021463	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-H+Cl"	33.962126
"268436"	1131.131002	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+Cl"	34.969402
"660212"	1679.211802	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+Cl"	34.969402
"1285916"	583.050202	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl"	34.969402
"30870"	1133.110206	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M-2H+K"	36.948606
"471078"	1681.191006	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M-2H+K"	36.948606
"847992"	585.029406	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-2H+K"	36.948606
"1571247"	585.029406	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+K-2H"	36.948606
"958415"	593.078994	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-H+HCOOH"	44.998194
"375789"	1141.159801	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+HCOOH-H"	44.998201
"359665"	1155.175451	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+Hac-H"	59.013851
"1505582"	607.094651	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Hac-H"	59.013851
"971665"	615.060951	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-H+NaCOOH"	66.980151
"117292"	583.050202	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+2Cl"	69.938804
"562318"	857.090602	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+2Cl"	69.938804
"1034397"	309.009802	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2Cl"	69.938804
"1252881"	626.999685	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Br"	78.918885
"1312049"	629.055672	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+HCOOH"	80.974872
"1327357"	651.037629	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+NaCOOH"	102.956829
"915134"	661.066386	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M-H+CF3COOH"	112.985586
"1294034"	697.043064	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Cl+CF3COOH"	148.962264
"1373290"	513.068124	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H-2H2O"	-35.012676
"1386776"	531.0781	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H-H2O"	-17.0027
"295577"	1097.168876	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+H"	1.007276
"683991"	1645.249676	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+H"	1.007276
"1358156"	549.088076	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H"	1.007276
"133232"	549.088076	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+2H"	2.014552
"572791"	823.128476	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+2H"	2.014552
"1040496"	275.047676	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2H"	2.014552
"209491"	366.394476	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+3H"	3.021828
"647958"	549.088076	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+3H"	3.021828
"1166083"	183.700876	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+3H"	3.021828
"430451"	1114.195423	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+NH4"	18.033823
"789259"	1662.276223	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+NH4"	18.033823
"1685592"	566.114623	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+NH4"	18.033823
"333870"	557.6013495	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+H+NH4"	19.041099
"724471"	831.6417495	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+H+NH4"	19.041099
"1479749"	283.5609495	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H+NH4"	19.041099
"394052"	1119.150818	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+Na"	22.989218
"756510"	1667.231618	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+Na"	22.989218
"1608985"	571.070018	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Na"	22.989218
"315982"	560.079047	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+H+Na"	23.996494
"707792"	834.119447	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+H+Na"	23.996494
"1461978"	286.038647	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H+Na"	23.996494
"1053764"	191.02819	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2H+Na"	25.00377
"1259454"	581.114286	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+CH3OH+H"	33.033486
"378148"	1135.124758	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+K"	38.963158
"739995"	1683.205558	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+K"	38.963158
"1542906"	587.043958	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+K"	38.963158
"301173"	568.066017	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+H+K"	39.970434
"693957"	842.106417	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+H+K"	39.970434
"1446317"	294.025617	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H+K"	39.970434
"236132"	1138.195426	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+H"	42.033826
"1210419"	590.114626	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+H"	42.033826
"1195515"	295.560951	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+2H"	43.041102
"195330"	1141.13276	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na-H"	44.97116
"630268"	1689.21356	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na-H"	44.97116
"1136209"	593.05196	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2Na-H"	44.97116
"179502"	571.070018	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+2Na"	45.978436
"620521"	845.110418	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+2Na"	45.978436
"1120382"	297.029618	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2Na"	45.978436
"1403905"	198.355504	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H+2Na"	46.985712
"1436018"	595.093546	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H+HCOOH"	47.012746
"223160"	576.10304	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+3H2O+2H"	56.04448
"1514140"	609.14559	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+H"	61.06479
"413097"	579.056988	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+Na+K"	61.952376
"771295"	853.097388	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+Na+K"	61.952376
"1669332"	305.016588	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Na+K"	61.952376
"253300"	1160.177368	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+ACN+Na"	64.015768
"1227465"	612.096568	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+ACN+Na"	64.015768
"1714654"	612.120093	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+HCOOH"	64.039293
"1179277"	205.682818	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+3Na"	68.967654
"1650865"	617.075488	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Na+HCOOH"	68.994688
"157284"	1173.08064	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+2K-H"	76.91904
"597138"	1721.16144	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+2K-H"	76.91904
"1089832"	624.99984	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2K-H"	76.91904
"146647"	587.043958	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"2M+2K"	77.926316
"585843"	861.084358	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"3M+2K"	77.926316
"1073638"	313.003558	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2K"	77.926316
"1105755"	627.014392	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2K+H"	78.933592
"1350287"	627.102007	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+DMSO+H"	79.021207
"1019179"	631.141176	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+H"	83.060376
"1539687"	632.134808	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+IsoProp+Na+H"	84.054008
"1003637"	316.074226	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+2ACN+2H"	84.067652
"1599596"	633.049428	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+K+HCOOH"	84.968628
"1428171"	663.080938	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+H+CF3COOH"	115.000138
"1162101"	336.587501	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+3ACN+2H"	125.094202
"1709466"	680.107485	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+NH4+CF3COOH"	132.026685
"1649490"	685.06288	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+Na+CF3COOH"	136.98208
"1575303"	701.03682	"C20682"	"dTDP-alpha-D-fucofuranose"	"C16H26N2O15P2"	"548.0808"	"M+K+CF3COOH"	152.95602
"808950"	390.0689	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M"	0
"986859"	371.05051	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-H2O-H"	-19.01839
"68540"	259.038657333333	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M-3H"	-3.021828
"512473"	389.061624	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M-3H"	-3.021828
"882622"	129.015690666667	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-3H"	-3.021828
"5568"	389.061624	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M-2H"	-2.014552
"445128"	584.096074	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M-2H"	-2.014552
"822930"	194.027174	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-2H"	-2.014552
"84017"	779.130524	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M-H"	-1.007276
"523576"	1169.199424	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M-H"	-1.007276
"903568"	389.061624	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-H"	-1.007276
"50653"	796.157071	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M-2H+NH4"	16.019271
"489847"	1186.225971	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M-2H+NH4"	16.019271
"870930"	406.088171	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-2H+NH4"	16.019271
"36645"	801.112466	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M-2H+Na"	20.974666
"476206"	1191.181366	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M-2H+Na"	20.974666
"855103"	411.043566	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-2H+Na"	20.974666
"1623544"	411.043566	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Na-2H"	20.974666
"98251"	407.049963	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M-H+Cl"	33.962126
"542917"	602.084413	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M-H+Cl"	33.962126
"929261"	212.015513	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-H+Cl"	33.962126
"268182"	815.107202	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+Cl"	34.969402
"660607"	1205.176102	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+Cl"	34.969402
"1286390"	425.038302	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Cl"	34.969402
"30903"	817.086406	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M-2H+K"	36.948606
"470344"	1207.155306	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M-2H+K"	36.948606
"846931"	427.017506	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-2H+K"	36.948606
"1570415"	427.017506	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+K-2H"	36.948606
"957602"	435.067094	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-H+HCOOH"	44.998194
"376187"	825.136001	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+HCOOH-H"	44.998201
"360269"	839.151651	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+Hac-H"	59.013851
"1507153"	449.082751	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Hac-H"	59.013851
"968493"	457.049051	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-H+NaCOOH"	66.980151
"120680"	425.038302	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+2Cl"	69.938804
"563525"	620.072752	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+2Cl"	69.938804
"1033414"	230.003852	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2Cl"	69.938804
"1251898"	468.987785	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Br"	78.918885
"1312159"	471.043772	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Cl+HCOOH"	80.974872
"1329655"	493.025729	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Cl+NaCOOH"	102.956829
"917433"	503.054486	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M-H+CF3COOH"	112.985586
"1293051"	539.031164	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Cl+CF3COOH"	148.962264
"1376682"	355.056224	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H-2H2O"	-35.012676
"1393816"	373.0662	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H-H2O"	-17.0027
"293864"	781.145076	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+H"	1.007276
"683375"	1171.213976	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+H"	1.007276
"1356077"	391.076176	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H"	1.007276
"132977"	391.076176	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+2H"	2.014552
"573632"	586.110626	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+2H"	2.014552
"1047171"	196.041726	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2H"	2.014552
"207416"	261.053209333333	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+3H"	3.021828
"648068"	391.076176	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+3H"	3.021828
"1166196"	131.030242666667	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+3H"	3.021828
"428373"	798.171623	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+NH4"	18.033823
"790465"	1188.240523	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+NH4"	18.033823
"1682786"	408.102723	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+NH4"	18.033823
"330457"	399.5894495	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+H+NH4"	19.041099
"723243"	594.6238995	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+H+NH4"	19.041099
"1481320"	204.5549995	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H+NH4"	19.041099
"401094"	803.127018	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+Na"	22.989218
"756621"	1193.195918	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+Na"	22.989218
"1604714"	413.058118	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Na"	22.989218
"321317"	402.067147	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+H+Na"	23.996494
"707780"	597.101597	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+H+Na"	23.996494
"1461723"	207.032697	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H+Na"	23.996494
"1057526"	138.357556666667	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2H+Na"	25.00377
"1259567"	423.102386	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+CH3OH+H"	33.033486
"379599"	819.100958	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+K"	38.963158
"744243"	1209.169858	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+K"	38.963158
"1542289"	429.032058	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+K"	38.963158
"302016"	410.054117	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+H+K"	39.970434
"692611"	605.088567	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+H+K"	39.970434
"1446796"	215.019667	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H+K"	39.970434
"236241"	822.171626	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+ACN+H"	42.033826
"1210771"	432.102726	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+ACN+H"	42.033826
"1195383"	216.555001	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+ACN+2H"	43.041102
"192523"	825.10896	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+2Na-H"	44.97116
"636095"	1215.17786	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+2Na-H"	44.97116
"1138508"	435.04006	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2Na-H"	44.97116
"186172"	413.058118	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+2Na"	45.978436
"619173"	608.092568	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+2Na"	45.978436
"1122679"	218.023668	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2Na"	45.978436
"1401828"	145.684870666667	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H+2Na"	46.985712
"1437223"	437.081646	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H+HCOOH"	47.012746
"231293"	418.09114	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+3H2O+2H"	56.04448
"1511700"	451.13369	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+IsoProp+H"	61.06479
"410292"	421.045088	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+Na+K"	61.952376
"772746"	616.079538	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+Na+K"	61.952376
"1669809"	226.010638	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Na+K"	61.952376
"256330"	844.153568	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+ACN+Na"	64.015768
"1226609"	454.084668	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+ACN+Na"	64.015768
"1713913"	454.108193	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+NH4+HCOOH"	64.039293
"1179267"	153.012184666667	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+3Na"	68.967654
"1650495"	459.063588	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Na+HCOOH"	68.994688
"157964"	857.05684	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+2K-H"	76.91904
"597769"	1247.12574	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+2K-H"	76.91904
"1092861"	466.98794	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2K-H"	76.91904
"150770"	429.032058	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"2M+2K"	77.926316
"592519"	624.066508	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"3M+2K"	77.926316
"1078124"	233.997608	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2K"	77.926316
"1105865"	469.002492	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2K+H"	78.933592
"1350765"	469.090107	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+DMSO+H"	79.021207
"1019413"	473.129276	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2ACN+H"	83.060376
"1539125"	474.122908	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+IsoProp+Na+H"	84.054008
"1003018"	237.068276	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+2ACN+2H"	84.067652
"1599705"	475.037528	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+K+HCOOH"	84.968628
"1426458"	505.069038	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+H+CF3COOH"	115.000138
"1156746"	257.581551	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+3ACN+2H"	125.094202
"1711400"	522.095585	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+NH4+CF3COOH"	132.026685
"1638664"	527.05098	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+Na+CF3COOH"	136.98208
"1575414"	543.02492	"C20684"	"O-Carbamoyladenylate"	"C11H15N6O8P"	"390.0689"	"M+K+CF3COOH"	152.95602
"802500"	233.9851	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M"	0
"980406"	214.96671	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H2O-H"	-19.01839
"66463"	154.982790666667	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-3H"	-3.021828
"506021"	232.977824	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-3H"	-3.021828
"883825"	76.9877573333333	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-3H"	-3.021828
"1304"	232.977824	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H"	-2.014552
"441958"	349.970374	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H"	-2.014552
"820853"	115.985274	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H"	-2.014552
"81939"	466.962924	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-H"	-1.007276
"524780"	700.948024	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-H"	-1.007276
"899667"	232.977824	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H"	-1.007276
"48208"	483.989471	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H+NH4"	16.019271
"488008"	717.974571	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H+NH4"	16.019271
"866298"	250.004371	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H+NH4"	16.019271
"33471"	488.944866	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H+Na"	20.974666
"472303"	722.929966	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H+Na"	20.974666
"850109"	254.959766	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H+Na"	20.974666
"1619276"	254.959766	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na-2H"	20.974666
"95073"	250.966163	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-H+Cl"	33.962126
"534800"	367.958713	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-H+Cl"	33.962126
"928153"	133.973613	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+Cl"	33.962126
"268164"	502.939602	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Cl"	34.969402
"660957"	736.924702	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+Cl"	34.969402
"1287227"	268.954502	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl"	34.969402
"30611"	504.918806	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H+K"	36.948606
"470214"	738.903906	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H+K"	36.948606
"847524"	270.933706	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H+K"	36.948606
"1570651"	270.933706	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K-2H"	36.948606
"958154"	278.983294	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+HCOOH"	44.998194
"376373"	512.968401	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+HCOOH-H"	44.998201
"360380"	526.984051	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Hac-H"	59.013851
"1507263"	292.998951	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Hac-H"	59.013851
"968603"	300.965251	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+NaCOOH"	66.980151
"122977"	268.954502	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2Cl"	69.938804
"564364"	385.947052	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2Cl"	69.938804
"1034616"	151.961952	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2Cl"	69.938804
"1254195"	312.903985	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Br"	78.918885
"1311176"	314.959972	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl+HCOOH"	80.974872
"1329764"	336.941929	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl+NaCOOH"	102.956829
"918636"	346.970686	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+CF3COOH"	112.985586
"1292431"	382.947364	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl+CF3COOH"	148.962264
"1376792"	198.972424	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H-2H2O"	-35.012676
"1392831"	216.9824	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H-H2O"	-17.0027
"292881"	468.977476	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H"	1.007276
"685671"	702.962576	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H"	1.007276
"1357282"	234.992376	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H"	1.007276
"133451"	234.992376	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2H"	2.014552
"575201"	351.984926	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2H"	2.014552
"1041812"	117.999826	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2H"	2.014552
"208982"	156.997342666667	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+3H"	3.021828
"647449"	234.992376	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+3H"	3.021828
"1166306"	79.0023093333333	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+3H"	3.021828
"427390"	486.004023	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+NH4"	18.033823
"792762"	719.989123	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+NH4"	18.033823
"1681803"	252.018923	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+NH4"	18.033823
"330285"	243.5056495	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H+NH4"	19.041099
"722920"	360.4981995	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H+NH4"	19.041099
"1481430"	126.5130995	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+NH4"	19.041099
"401204"	490.959418	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Na"	22.989218
"763291"	724.944518	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+Na"	22.989218
"1604828"	256.974318	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na"	22.989218
"321427"	245.983347	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H+Na"	23.996494
"712754"	362.975897	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H+Na"	23.996494
"1464754"	128.990797	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+Na"	23.996494
"1056543"	86.3296233333333	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2H+Na"	25.00377
"1259313"	267.018586	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+CH3OH+H"	33.033486
"378494"	506.933358	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+K"	38.963158
"743260"	740.918458	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+K"	38.963158
"1542399"	272.948258	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K"	38.963158
"300669"	253.970317	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H+K"	39.970434
"691988"	370.962867	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H+K"	39.970434
"1446542"	136.977767	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+K"	39.970434
"236070"	510.004026	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+ACN+H"	42.033826
"1210478"	276.018926	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+ACN+H"	42.033826
"1196465"	138.513101	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+ACN+2H"	43.041102
"189345"	512.94136	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2Na-H"	44.97116
"635112"	746.92646	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2Na-H"	44.97116
"1139711"	278.95626	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2Na-H"	44.97116
"177533"	256.974318	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2Na"	45.978436
"622562"	373.966868	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2Na"	45.978436
"1121696"	139.981768	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2Na"	45.978436
"1398775"	93.6569373333333	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+2Na"	46.985712
"1438427"	280.997846	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+HCOOH"	47.012746
"225934"	262.00734	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+3H2O+2H"	56.04448
"1515455"	295.04989	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+IsoProp+H"	61.06479
"410765"	264.961288	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Na+K"	61.952376
"775772"	381.953838	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+Na+K"	61.952376
"1669919"	147.968738	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na+K"	61.952376
"256440"	531.985968	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+ACN+Na"	64.015768
"1227326"	298.000868	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+ACN+Na"	64.015768
"1713172"	298.024393	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+NH4+HCOOH"	64.039293
"1180108"	100.984251333333	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+3Na"	68.967654
"1651095"	302.979788	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na+HCOOH"	68.994688
"157198"	544.88924	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2K-H"	76.91904
"597506"	778.87434	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2K-H"	76.91904
"1089691"	310.90414	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2K-H"	76.91904
"147600"	272.948258	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2K"	77.926316
"590443"	389.940808	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2K"	77.926316
"1076047"	155.955708	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2K"	77.926316
"1103788"	312.918692	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2K+H"	78.933592
"1351239"	313.006307	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+DMSO+H"	79.021207
"1020495"	317.045476	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2ACN+H"	83.060376
"1539350"	318.039108	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+IsoProp+Na+H"	84.054008
"1003127"	159.026376	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2ACN+2H"	84.067652
"1599815"	318.953728	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K+HCOOH"	84.968628
"1426568"	348.985238	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+CF3COOH"	115.000138
"1156856"	179.539651	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+3ACN+2H"	125.094202
"1708594"	366.011785	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+NH4+CF3COOH"	132.026685
"1640961"	370.96718	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na+CF3COOH"	136.98208
"1575524"	386.94112	"C20685"	"(R)-(24-Dichlorophenoxy)propanoate;(R)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K+CF3COOH"	152.95602
"805893"	214.0397	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M"	0
"976145"	195.02131	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H2O-H"	-19.01839
"65840"	141.685857333333	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-3H"	-3.021828
"504308"	213.032424	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-3H"	-3.021828
"882111"	70.3392906666667	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-3H"	-3.021828
"3601"	213.032424	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H"	-2.014552
"446441"	320.052274	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H"	-2.014552
"826430"	106.012574	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H"	-2.014552
"82047"	427.072124	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-H"	-1.007276
"523796"	641.111824	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-H"	-1.007276
"897225"	213.032424	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H"	-1.007276
"50504"	444.098671	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+NH4"	16.019271
"489698"	658.138371	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+NH4"	16.019271
"868963"	230.058971	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+NH4"	16.019271
"36862"	449.054066	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+Na"	20.974666
"475328"	663.093766	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+Na"	20.974666
"854226"	235.014366	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+Na"	20.974666
"1623767"	235.014366	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na-2H"	20.974666
"95187"	231.020763	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-H+Cl"	33.962126
"535846"	338.040613	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-H+Cl"	33.962126
"929002"	124.000913	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+Cl"	33.962126
"267921"	463.048802	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Cl"	34.969402
"675560"	677.088502	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Cl"	34.969402
"1288321"	249.009102	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl"	34.969402
"31372"	465.028006	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M-2H+K"	36.948606
"471216"	679.067706	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M-2H+K"	36.948606
"848468"	250.988306	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-2H+K"	36.948606
"1571248"	250.988306	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K-2H"	36.948606
"957775"	259.037894	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+HCOOH"	44.998194
"375747"	473.077601	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+HCOOH-H"	44.998201
"357445"	487.093251	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Hac-H"	59.013851
"1507249"	273.053551	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Hac-H"	59.013851
"966526"	281.019851	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+NaCOOH"	66.980151
"119806"	249.009102	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Cl"	69.938804
"558273"	356.028952	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Cl"	69.938804
"1031446"	141.989252	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Cl"	69.938804
"1246649"	292.958585	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Br"	78.918885
"1310192"	295.014572	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+HCOOH"	80.974872
"1324411"	316.996529	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+NaCOOH"	102.956829
"922764"	327.025286	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M-H+CF3COOH"	112.985586
"1295462"	363.001964	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Cl+CF3COOH"	148.962264
"1373621"	179.027024	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H-2H2O"	-35.012676
"1387837"	197.037	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H-H2O"	-17.0027
"287523"	429.086676	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H"	1.007276
"677394"	643.126376	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H"	1.007276
"1353377"	215.046976	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H"	1.007276
"127364"	215.046976	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2H"	2.014552
"569842"	322.066826	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2H"	2.014552
"1038027"	108.027126	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2H"	2.014552
"204963"	143.700409333333	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+3H"	3.021828
"645133"	215.046976	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+3H"	3.021828
"1169700"	72.3538426666667	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3H"	3.021828
"425440"	446.113223	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+NH4"	18.033823
"787403"	660.152923	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+NH4"	18.033823
"1681419"	232.073523	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4"	18.033823
"330552"	223.5602495	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+NH4"	19.041099
"723013"	330.5800995	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+NH4"	19.041099
"1481540"	116.5403995	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+NH4"	19.041099
"394752"	451.068618	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Na"	22.989218
"756838"	665.108318	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Na"	22.989218
"1606030"	237.028918	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na"	22.989218
"316071"	226.037947	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+Na"	23.996494
"707640"	333.057797	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+Na"	23.996494
"1463405"	119.018097	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+Na"	23.996494
"1056649"	79.6811566666667	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2H+Na"	25.00377
"1260515"	247.073186	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+CH3OH+H"	33.033486
"379090"	467.042558	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+K"	38.963158
"741181"	681.082258	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+K"	38.963158
"1541410"	253.002858	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K"	38.963158
"299318"	234.024917	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+H+K"	39.970434
"692466"	341.044767	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+H+K"	39.970434
"1445609"	127.005067	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+K"	39.970434
"235933"	470.113226	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+ACN+H"	42.033826
"1210868"	256.073526	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+H"	42.033826
"1194514"	128.540401	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+2H"	43.041102
"195660"	473.05056	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Na-H"	44.97116
"631211"	687.09026	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Na-H"	44.97116
"1133624"	259.01086	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Na-H"	44.97116
"174727"	237.028918	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2Na"	45.978436
"620483"	344.048768	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2Na"	45.978436
"1118521"	130.009068	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2Na"	45.978436
"1403137"	87.0084706666667	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+2Na"	46.985712
"1430148"	261.052446	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+HCOOH"	47.012746
"221784"	242.06194	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+3H2O+2H"	56.04448
"1509486"	275.10449	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+IsoProp+H"	61.06479
"408725"	245.015888	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+Na+K"	61.952376
"771877"	352.035738	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+Na+K"	61.952376
"1666383"	137.996038	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+K"	61.952376
"253632"	492.095168	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+ACN+Na"	64.015768
"1226703"	278.055468	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+ACN+Na"	64.015768
"1713770"	278.078993	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4+HCOOH"	64.039293
"1181678"	94.3357846666667	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3Na"	68.967654
"1650024"	283.034388	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+HCOOH"	68.994688
"161355"	504.99844	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2K-H"	76.91904
"602371"	719.03814	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2K-H"	76.91904
"1087612"	290.95874	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K-H"	76.91904
"145521"	253.002858	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"2M+2K"	77.926316
"586180"	360.022708	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"3M+2K"	77.926316
"1071781"	145.983008	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K"	77.926316
"1106087"	292.973292	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2K+H"	78.933592
"1342472"	293.060907	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+DMSO+H"	79.021207
"1015376"	297.100076	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2ACN+H"	83.060376
"1532407"	298.093708	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+IsoProp+Na+H"	84.054008
"999951"	149.053676	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+2ACN+2H"	84.067652
"1594454"	299.008328	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K+HCOOH"	84.968628
"1423394"	329.039838	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+H+CF3COOH"	115.000138
"1158055"	169.566951	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+3ACN+2H"	125.094202
"1699589"	346.066385	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+NH4+CF3COOH"	132.026685
"1645452"	351.02178	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+Na+CF3COOH"	136.98208
"1575634"	366.99572	"C20686"	"(S)-2-(4-Chloro-2-methylphenoxy)propanoate;(S)-Mecoprop"	"C10H11ClO3"	"214.0397"	"M+K+CF3COOH"	152.95602
"812561"	233.9851	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M"	0
"974754"	214.96671	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H2O-H"	-19.01839
"63766"	154.982790666667	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-3H"	-3.021828
"504421"	232.977824	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-3H"	-3.021828
"884043"	76.9877573333333	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-3H"	-3.021828
"4803"	232.977824	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H"	-2.014552
"442177"	349.970374	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H"	-2.014552
"819979"	115.985274	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H"	-2.014552
"85440"	466.962924	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-H"	-1.007276
"523906"	700.948024	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-H"	-1.007276
"898793"	232.977824	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H"	-1.007276
"50614"	483.989471	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H+NH4"	16.019271
"491267"	717.974571	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H+NH4"	16.019271
"868705"	250.004371	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H+NH4"	16.019271
"35151"	488.944866	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H+Na"	20.974666
"476531"	722.929966	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H+Na"	20.974666
"856522"	254.959766	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H+Na"	20.974666
"1621315"	254.959766	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na-2H"	20.974666
"96751"	250.966163	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-H+Cl"	33.962126
"535949"	367.958713	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-H+Cl"	33.962126
"930194"	133.973613	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+Cl"	33.962126
"267140"	502.939602	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Cl"	34.969402
"661058"	736.924702	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+Cl"	34.969402
"1284527"	268.954502	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl"	34.969402
"30985"	504.918806	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M-2H+K"	36.948606
"468468"	738.903906	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M-2H+K"	36.948606
"845542"	270.933706	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-2H+K"	36.948606
"1571215"	270.933706	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K-2H"	36.948606
"955453"	278.983294	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+HCOOH"	44.998194
"375129"	512.968401	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+HCOOH-H"	44.998201
"359009"	526.984051	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Hac-H"	59.013851
"1504562"	292.998951	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Hac-H"	59.013851
"968821"	300.965251	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+NaCOOH"	66.980151
"116636"	268.954502	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2Cl"	69.938804
"558384"	385.947052	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2Cl"	69.938804
"1030463"	151.961952	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2Cl"	69.938804
"1251134"	312.903985	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Br"	78.918885
"1315404"	314.959972	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl+HCOOH"	80.974872
"1327795"	336.941929	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl+NaCOOH"	102.956829
"917042"	346.970686	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M-H+CF3COOH"	112.985586
"1297758"	382.947364	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Cl+CF3COOH"	148.962264
"1371545"	198.972424	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H-2H2O"	-35.012676
"1383575"	216.9824	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H-H2O"	-17.0027
"283621"	468.977476	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H"	1.007276
"677504"	702.962576	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H"	1.007276
"1354221"	234.992376	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H"	1.007276
"127475"	234.992376	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2H"	2.014552
"568856"	351.984926	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2H"	2.014552
"1038259"	117.999826	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2H"	2.014552
"205196"	156.997342666667	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+3H"	3.021828
"648403"	234.992376	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+3H"	3.021828
"1166530"	79.0023093333333	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+3H"	3.021828
"425426"	486.004023	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+NH4"	18.033823
"786098"	719.989123	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+NH4"	18.033823
"1681537"	252.018923	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+NH4"	18.033823
"333222"	243.5056495	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H+NH4"	19.041099
"726737"	360.4981995	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H+NH4"	19.041099
"1488211"	126.5130995	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+NH4"	19.041099
"394863"	490.959418	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Na"	22.989218
"756951"	724.944518	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+Na"	22.989218
"1607237"	256.974318	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na"	22.989218
"318369"	245.983347	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H+Na"	23.996494
"710789"	362.975897	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H+Na"	23.996494
"1465702"	128.990797	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+Na"	23.996494
"1054575"	86.3296233333333	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2H+Na"	25.00377
"1261718"	267.018586	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+CH3OH+H"	33.033486
"380293"	506.933358	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+K"	38.963158
"742387"	740.918458	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+K"	38.963158
"1540427"	272.948258	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K"	38.963158
"298816"	253.970317	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+H+K"	39.970434
"691847"	370.962867	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+H+K"	39.970434
"1447118"	136.977767	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+K"	39.970434
"235964"	510.004026	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+ACN+H"	42.033826
"1209921"	276.018926	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+ACN+H"	42.033826
"1195969"	138.513101	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+ACN+2H"	43.041102
"193583"	512.94136	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2Na-H"	44.97116
"633144"	746.92646	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2Na-H"	44.97116
"1133370"	278.95626	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2Na-H"	44.97116
"173253"	256.974318	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2Na"	45.978436
"613134"	373.966868	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2Na"	45.978436
"1118632"	139.981768	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2Na"	45.978436
"1406528"	93.6569373333333	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+2Na"	46.985712
"1430381"	280.997846	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+HCOOH"	47.012746
"220603"	262.00734	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+3H2O+2H"	56.04448
"1509234"	295.04989	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+IsoProp+H"	61.06479
"409532"	264.961288	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+Na+K"	61.952376
"771625"	381.953838	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+Na+K"	61.952376
"1666372"	147.968738	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na+K"	61.952376
"253382"	531.985968	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+ACN+Na"	64.015768
"1226817"	298.000868	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+ACN+Na"	64.015768
"1715342"	298.024393	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+NH4+HCOOH"	64.039293
"1182882"	100.984251333333	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+3Na"	68.967654
"1655695"	302.979788	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na+HCOOH"	68.994688
"163654"	544.88924	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2K-H"	76.91904
"601026"	778.87434	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2K-H"	76.91904
"1089913"	310.90414	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2K-H"	76.91904
"146730"	272.948258	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"2M+2K"	77.926316
"588476"	389.940808	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"3M+2K"	77.926316
"1075174"	155.955708	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2K"	77.926316
"1108386"	312.918692	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2K+H"	78.933592
"1346958"	313.006307	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+DMSO+H"	79.021207
"1015487"	317.045476	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2ACN+H"	83.060376
"1538718"	318.039108	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+IsoProp+Na+H"	84.054008
"1000062"	159.026376	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+2ACN+2H"	84.067652
"1597844"	318.953728	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K+HCOOH"	84.968628
"1423504"	348.985238	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+H+CF3COOH"	115.000138
"1152700"	179.539651	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+3ACN+2H"	125.094202
"1699335"	366.011785	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+NH4+CF3COOH"	132.026685
"1641187"	370.96718	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+Na+CF3COOH"	136.98208
"1575744"	386.94112	"C20687"	"(S)-(24-Dichlorophenoxy)propanoate;(S)-Dichlorprop"	"C9H8Cl2O3"	"233.9851"	"M+K+CF3COOH"	152.95602
"815956"	555.2104	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M"	0
"979648"	536.19201	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-H2O-H"	-19.01839
"68981"	369.132990666667	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M-3H"	-3.021828
"504895"	554.203124	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M-3H"	-3.021828
"884153"	184.062857333333	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-3H"	-3.021828
"1638"	554.203124	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M-2H"	-2.014552
"444475"	831.808324	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M-2H"	-2.014552
"822279"	276.597924	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-2H"	-2.014552
"80087"	1109.413524	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M-H"	-1.007276
"525111"	1664.623924	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M-H"	-1.007276
"901090"	554.203124	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-H"	-1.007276
"54006"	1126.440071	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M-2H+NH4"	16.019271
"496849"	1681.650471	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M-2H+NH4"	16.019271
"870277"	571.229671	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-2H+NH4"	16.019271
"35989"	1131.395466	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M-2H+Na"	20.974666
"477007"	1686.605866	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M-2H+Na"	20.974666
"850074"	576.185066	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-2H+Na"	20.974666
"1620697"	576.185066	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Na-2H"	20.974666
"95530"	572.191463	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M-H+Cl"	33.962126
"540076"	849.796663	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M-H+Cl"	33.962126
"932499"	294.586263	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-H+Cl"	33.962126
"273249"	1145.390202	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+Cl"	34.969402
"674060"	1700.600602	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+Cl"	34.969402
"1287563"	590.179802	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Cl"	34.969402
"30896"	1147.369406	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M-2H+K"	36.948606
"470412"	1702.579806	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M-2H+K"	36.948606
"846756"	592.159006	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-2H+K"	36.948606
"1570731"	592.159006	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+K-2H"	36.948606
"957922"	600.208594	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-H+HCOOH"	44.998194
"376823"	1155.419001	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+HCOOH-H"	44.998201
"360826"	1169.434651	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+Hac-H"	59.013851
"1505766"	614.224251	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Hac-H"	59.013851
"965653"	622.190551	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-H+NaCOOH"	66.980151
"120028"	590.179802	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+2Cl"	69.938804
"562869"	867.785002	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+2Cl"	69.938804
"1034948"	312.574602	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2Cl"	69.938804
"1251246"	634.129285	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Br"	78.918885
"1319771"	636.185272	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Cl+HCOOH"	80.974872
"1333751"	658.167229	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Cl+NaCOOH"	102.956829
"918244"	668.195986	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M-H+CF3COOH"	112.985586
"1294589"	704.172664	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Cl+CF3COOH"	148.962264
"1372752"	520.197724	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H-2H2O"	-35.012676
"1388059"	538.2077	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H-H2O"	-17.0027
"288843"	1111.428076	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+H"	1.007276
"684547"	1666.638476	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+H"	1.007276
"1356522"	556.217676	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H"	1.007276
"127950"	556.217676	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+2H"	2.014552
"567876"	833.822876	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+2H"	2.014552
"1044334"	278.612476	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2H"	2.014552
"207861"	371.147542666667	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+3H"	3.021828
"655807"	556.217676	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+3H"	3.021828
"1167735"	186.077409333333	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+3H"	3.021828
"428821"	1128.454623	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+NH4"	18.033823
"790911"	1683.665023	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+NH4"	18.033823
"1695990"	573.244223	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+NH4"	18.033823
"344634"	564.7309495	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+H+NH4"	19.041099
"737058"	842.3361495	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+H+NH4"	19.041099
"1489415"	287.1257495	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H+NH4"	19.041099
"404450"	1133.410018	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+Na"	22.989218
"766539"	1688.620418	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+Na"	22.989218
"1603584"	578.199618	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Na"	22.989218
"325042"	567.208647	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+H+Na"	23.996494
"716371"	844.813847	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+H+Na"	23.996494
"1465819"	289.603447	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H+Na"	23.996494
"1055418"	193.404723333333	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2H+Na"	25.00377
"1260012"	588.243886	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+CH3OH+H"	33.033486
"383690"	1149.383958	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+K"	38.963158
"743593"	1704.594358	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+K"	38.963158
"1543823"	594.173558	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+K"	38.963158
"302093"	575.195617	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+H+K"	39.970434
"696339"	852.800817	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+H+K"	39.970434
"1451253"	297.590417	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H+K"	39.970434
"238761"	1152.454626	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+ACN+H"	42.033826
"1216941"	597.244226	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+ACN+H"	42.033826
"1200824"	299.125751	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+ACN+2H"	43.041102
"189683"	1155.39196	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+2Na-H"	44.97116
"630338"	1710.60236	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+2Na-H"	44.97116
"1132622"	600.18156	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2Na-H"	44.97116
"173728"	578.199618	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+2Na"	45.978436
"616330"	855.804818	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+2Na"	45.978436
"1118742"	300.594418	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2Na"	45.978436
"1398579"	200.732037333333	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H+2Na"	46.985712
"1430287"	602.223146	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H+HCOOH"	47.012746
"222983"	583.23264	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+3H2O+2H"	56.04448
"1509348"	616.27519	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+IsoProp+H"	61.06479
"412928"	586.186588	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+Na+K"	61.952376
"770133"	863.791788	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+Na+K"	61.952376
"1665996"	308.581388	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Na+K"	61.952376
"251452"	1174.436568	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+ACN+Na"	64.015768
"1227296"	619.226168	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+ACN+Na"	64.015768
"1715451"	619.249693	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+NH4+HCOOH"	64.039293
"1180076"	208.059351333333	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+3Na"	68.967654
"1651061"	624.205088	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Na+HCOOH"	68.994688
"163759"	1187.33984	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+2K-H"	76.91904
"603319"	1742.55024	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+2K-H"	76.91904
"1088927"	632.12944	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2K-H"	76.91904
"144649"	594.173558	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"2M+2K"	77.926316
"585303"	871.778758	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"3M+2K"	77.926316
"1074190"	316.568358	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2K"	77.926316
"1109586"	634.143992	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2K+H"	78.933592
"1342692"	634.231607	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+DMSO+H"	79.021207
"1013410"	638.270776	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2ACN+H"	83.060376
"1534814"	639.264408	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+IsoProp+Na+H"	84.054008
"1002359"	319.639026	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+2ACN+2H"	84.067652
"1599052"	640.179028	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+K+HCOOH"	84.968628
"1422519"	670.210538	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+H+CF3COOH"	115.000138
"1149532"	340.152301	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+3ACN+2H"	125.094202
"1710018"	687.237085	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+NH4+CF3COOH"	132.026685
"1646400"	692.19248	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+Na+CF3COOH"	136.98208
"1582416"	708.16642	"C20689"	"15-Demethylaclacinomycin T"	"C29H33NO10"	"555.2104"	"M+K+CF3COOH"	152.95602
"812782"	819.794	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M"	0
"977569"	800.77561	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-H2O-H"	-19.01839
"65811"	545.522057333333	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M-3H"	-3.021828
"503548"	818.786724	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M-3H"	-3.021828
"880375"	272.257390666667	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-3H"	-3.021828
"2838"	818.786724	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M-2H"	-2.014552
"443495"	1228.683724	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M-2H"	-2.014552
"821297"	408.889724	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-2H"	-2.014552
"80561"	1638.580724	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M-H"	-1.007276
"521946"	2458.374724	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M-H"	-1.007276
"900841"	818.786724	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-H"	-1.007276
"53024"	1655.607271	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M-2H+NH4"	16.019271
"493677"	2475.401271	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M-2H+NH4"	16.019271
"872574"	835.813271	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-2H+NH4"	16.019271
"38287"	1660.562666	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M-2H+Na"	20.974666
"478212"	2480.356666	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M-2H+Na"	20.974666
"850912"	840.768666	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-2H+Na"	20.974666
"1620814"	840.768666	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Na-2H"	20.974666
"97706"	836.775063	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M-H+Cl"	33.962126
"539092"	1246.672063	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M-H+Cl"	33.962126
"929329"	426.878063	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-H+Cl"	33.962126
"273359"	1674.557402	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+Cl"	34.969402
"674534"	2494.351402	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+Cl"	34.969402
"1288162"	854.763402	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Cl"	34.969402
"30842"	1676.536606	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M-2H+K"	36.948606
"471010"	2496.330606	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M-2H+K"	36.948606
"848365"	856.742606	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-2H+K"	36.948606
"1566701"	856.742606	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+K-2H"	36.948606
"957381"	864.792194	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-H+HCOOH"	44.998194
"374258"	1684.586201	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+HCOOH-H"	44.998201
"359600"	1698.601851	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+Hac-H"	59.013851
"1501501"	878.807851	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Hac-H"	59.013851
"967952"	886.774151	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-H+NaCOOH"	66.980151
"116858"	854.763402	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+2Cl"	69.938804
"556419"	1264.660402	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+2Cl"	69.938804
"1028497"	444.866402	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2Cl"	69.938804
"1251358"	898.712885	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Br"	78.918885
"1319273"	900.768872	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Cl+HCOOH"	80.974872
"1331310"	922.750829	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Cl+NaCOOH"	102.956829
"920179"	932.779586	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M-H+CF3COOH"	112.985586
"1295792"	968.756264	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Cl+CF3COOH"	148.962264
"1373955"	784.781324	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H-2H2O"	-35.012676
"1388170"	802.7913	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H-H2O"	-17.0027
"286763"	1640.595276	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+H"	1.007276
"685750"	2460.389276	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+H"	1.007276
"1356632"	820.801276	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H"	1.007276
"131704"	820.801276	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+2H"	2.014552
"569079"	1230.698276	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+2H"	2.014552
"1048819"	410.904276	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2H"	2.014552
"207971"	547.536609333333	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+3H"	3.021828
"655553"	820.801276	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+3H"	3.021828
"1170033"	274.271942666667	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+3H"	3.021828
"428931"	1657.621823	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+NH4"	18.033823
"797582"	2477.415823	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+NH4"	18.033823
"1696347"	837.827823	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+NH4"	18.033823
"344379"	829.3145495	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+H+NH4"	19.041099
"735343"	1239.2115495	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+H+NH4"	19.041099
"1484059"	419.4175495	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H+NH4"	19.041099
"403832"	1662.577218	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+Na"	22.989218
"765920"	2482.371218	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+Na"	22.989218
"1609649"	842.783218	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Na"	22.989218
"324059"	831.792247	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+H+Na"	23.996494
"716481"	1241.689247	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+H+Na"	23.996494
"1470302"	421.895247	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H+Na"	23.996494
"1056988"	281.599256666667	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2H+Na"	25.00377
"1259760"	852.827486	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+CH3OH+H"	33.033486
"381614"	1678.551158	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+K"	38.963158
"745890"	2498.345158	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+K"	38.963158
"1545757"	858.757158	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+K"	38.963158
"305119"	839.779217	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+H+K"	39.970434
"697542"	1249.676217	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+H+K"	39.970434
"1455734"	429.882217	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H+K"	39.970434
"238872"	1681.621826	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+ACN+H"	42.033826
"1220328"	861.827826	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+ACN+H"	42.033826
"1200934"	431.417551	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+ACN+2H"	43.041102
"193804"	1684.55916	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+2Na-H"	44.97116
"633365"	2504.35316	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+2Na-H"	44.97116
"1131615"	864.76516	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2Na-H"	44.97116
"174084"	842.783218	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+2Na"	45.978436
"618628"	1252.680218	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+2Na"	45.978436
"1121039"	432.886218	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2Na"	45.978436
"1398770"	288.926570666667	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H+2Na"	46.985712
"1430720"	866.806746	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H+HCOOH"	47.012746
"227467"	847.81624	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+3H2O+2H"	56.04448
"1509458"	880.85879	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+IsoProp+H"	61.06479
"416319"	850.770188	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+Na+K"	61.952376
"770265"	1260.667188	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+Na+K"	61.952376
"1666470"	440.873188	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Na+K"	61.952376
"254696"	1703.603768	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+ACN+Na"	64.015768
"1228499"	883.809768	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+ACN+Na"	64.015768
"1715199"	883.833293	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+NH4+HCOOH"	64.039293
"1180916"	296.253884666667	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+3Na"	68.967654
"1651535"	888.788688	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Na+HCOOH"	68.994688
"163869"	1716.50704	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+2K-H"	76.91904
"599056"	2536.30104	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+2K-H"	76.91904
"1089037"	896.71304	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2K-H"	76.91904
"148040"	858.757158	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"2M+2K"	77.926316
"589789"	1268.654158	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"3M+2K"	77.926316
"1077582"	448.860158	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2K"	77.926316
"1110790"	898.727592	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2K+H"	78.933592
"1342802"	898.815207	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+DMSO+H"	79.021207
"1018867"	902.854376	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2ACN+H"	83.060376
"1533833"	903.848008	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+IsoProp+Na+H"	84.054008
"1003202"	451.930826	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+2ACN+2H"	84.067652
"1601346"	904.762628	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+K+HCOOH"	84.968628
"1424819"	934.794138	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+H+CF3COOH"	115.000138
"1152923"	472.444101	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+3ACN+2H"	125.094202
"1709035"	951.820685	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+NH4+CF3COOH"	132.026685
"1641406"	956.77608	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+Na+CF3COOH"	136.98208
"1582526"	972.75002	"C20690"	"1D-myo-Inositol 15-bis(diphosphate) 2346-tetrakisphosphate"	"C6H20O30P8"	"819.794"	"M+K+CF3COOH"	152.95602
"811800"	376.2766	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M"	0
"980959"	357.25821	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H2O-H"	-19.01839
"66285"	249.843790666667	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-3H"	-3.021828
"506572"	375.269324	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-3H"	-3.021828
"883280"	124.418257333333	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-3H"	-3.021828
"6227"	375.269324	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H"	-2.014552
"442145"	563.407624	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H"	-2.014552
"819584"	187.131024	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H"	-2.014552
"83583"	751.545924	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-H"	-1.007276
"523147"	1127.822524	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-H"	-1.007276
"902039"	375.269324	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H"	-1.007276
"59694"	768.572471	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H+NH4"	16.019271
"497069"	1144.849071	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H+NH4"	16.019271
"870501"	392.295871	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H+NH4"	16.019271
"36941"	773.527866	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H+Na"	20.974666
"475779"	1149.804466	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H+Na"	20.974666
"851027"	397.251266	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H+Na"	20.974666
"1620926"	397.251266	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na-2H"	20.974666
"98545"	393.257663	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-H+Cl"	33.962126
"537019"	581.395963	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-H+Cl"	33.962126
"937101"	205.119363	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+Cl"	33.962126
"274563"	787.522602	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+Cl"	34.969402
"675547"	1163.799202	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+Cl"	34.969402
"1287994"	411.246002	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Cl"	34.969402
"30471"	789.501806	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H+K"	36.948606
"471336"	1165.778406	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H+K"	36.948606
"845507"	413.225206	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H+K"	36.948606
"1569361"	413.225206	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+K-2H"	36.948606
"953962"	421.274794	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+HCOOH"	44.998194
"373269"	797.551401	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+HCOOH-H"	44.998201
"359224"	811.567051	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+Hac-H"	59.013851
"1504892"	435.290451	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Hac-H"	59.013851
"965874"	443.256751	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+NaCOOH"	66.980151
"120246"	411.246002	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2Cl"	69.938804
"561994"	599.384302	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2Cl"	69.938804
"1030794"	223.107702	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2Cl"	69.938804
"1250370"	455.195485	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Br"	78.918885
"1315021"	457.251472	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Cl+HCOOH"	80.974872
"1333609"	479.233429	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Cl+NaCOOH"	102.956829
"920292"	489.262186	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+CF3COOH"	112.985586
"1298095"	525.238864	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Cl+CF3COOH"	148.962264
"1382414"	341.263924	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H-2H2O"	-35.012676
"1393752"	359.2739	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H-H2O"	-17.0027
"294534"	753.560476	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+H"	1.007276
"687684"	1129.837076	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+H"	1.007276
"1361118"	377.283876	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H"	1.007276
"130725"	377.283876	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2H"	2.014552
"575760"	565.422176	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2H"	2.014552
"1050027"	189.145576	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2H"	2.014552
"215743"	251.858342666667	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+3H"	3.021828
"655301"	377.283876	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+3H"	3.021828
"1175614"	126.432809333333	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+3H"	3.021828
"436700"	770.587023	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+NH4"	18.033823
"796600"	1146.863623	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+NH4"	18.033823
"1696211"	394.310423	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+NH4"	18.033823
"343401"	385.7971495	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+H+NH4"	19.041099
"733630"	573.9354495	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+H+NH4"	19.041099
"1485263"	197.6588495	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H+NH4"	19.041099
"405037"	775.542418	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+Na"	22.989218
"760567"	1151.819018	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+Na"	22.989218
"1609758"	399.265818	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na"	22.989218
"325263"	388.274847	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+H+Na"	23.996494
"716593"	576.413147	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+H+Na"	23.996494
"1463852"	200.136547	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H+Na"	23.996494
"1059285"	133.760123333333	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2H+Na"	25.00377
"1264243"	409.310086	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+CH3OH+H"	33.033486
"382819"	791.516358	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+K"	38.963158
"743813"	1167.792958	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+K"	38.963158
"1545867"	415.239758	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+K"	38.963158
"306323"	396.261817	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+H+K"	39.970434
"696556"	584.400117	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+H+K"	39.970434
"1454752"	208.123517	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H+K"	39.970434
"242260"	794.587026	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+ACN+H"	42.033826
"1217159"	418.310426	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+ACN+H"	42.033826
"1201045"	209.658851	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+ACN+2H"	43.041102
"191726"	797.52436	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2Na-H"	44.97116
"630316"	1173.80096	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2Na-H"	44.97116
"1132119"	421.24776	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2Na-H"	44.97116
"178083"	399.265818	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2Na"	45.978436
"614120"	587.404118	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2Na"	45.978436
"1118961"	211.127518	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2Na"	45.978436
"1400664"	141.087437333333	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H+2Na"	46.985712
"1433507"	423.289346	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H+HCOOH"	47.012746
"229771"	404.29884	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+3H2O+2H"	56.04448
"1521846"	437.34139	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+IsoProp+H"	61.06479
"416429"	407.252788	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+Na+K"	61.952376
"773050"	595.391088	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+Na+K"	61.952376
"1669013"	219.114488	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na+K"	61.952376
"254806"	816.568968	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+ACN+Na"	64.015768
"1231155"	440.292368	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+ACN+Na"	64.015768
"1717495"	440.315893	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+NH4+HCOOH"	64.039293
"1183940"	148.414751333333	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+3Na"	68.967654
"1653468"	445.271288	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na+HCOOH"	68.994688
"163979"	829.47224	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2K-H"	76.91904
"602447"	1205.74884	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2K-H"	76.91904
"1091335"	453.19564	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2K-H"	76.91904
"149245"	415.239758	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2K"	77.926316
"589900"	603.378058	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2K"	77.926316
"1079880"	227.101458	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2K"	77.926316
"1110902"	455.210192	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2K+H"	78.933592
"1344005"	455.297807	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+DMSO+H"	79.021207
"1015816"	459.336976	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2ACN+H"	83.060376
"1537101"	460.330608	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+IsoProp+Na+H"	84.054008
"1005132"	230.172126	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2ACN+2H"	84.067652
"1593802"	461.245228	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+K+HCOOH"	84.968628
"1423840"	491.276738	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H+CF3COOH"	115.000138
"1157411"	250.685401	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+3ACN+2H"	125.094202
"1708055"	508.303285	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+NH4+CF3COOH"	132.026685
"1649174"	513.25868	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na+CF3COOH"	136.98208
"1585917"	529.23262	"C20692"	"9-cis-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+K+CF3COOH"	152.95602
"809724"	302.1882	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M"	0
"982163"	283.16981	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-H2O-H"	-19.01839
"63314"	200.451524	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M-3H"	-3.021828
"502865"	301.180924	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M-3H"	-3.021828
"880717"	99.722124	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-3H"	-3.021828
"2084"	301.180924	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M-2H"	-2.014552
"440553"	452.275024	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M-2H"	-2.014552
"817230"	150.086824	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-2H"	-2.014552
"78868"	603.369124	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M-H"	-1.007276
"518757"	905.557324	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M-H"	-1.007276
"902149"	301.180924	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-H"	-1.007276
"56524"	620.395671	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M-2H+NH4"	16.019271
"491710"	922.583871	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M-2H+NH4"	16.019271
"869513"	318.207471	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-2H+NH4"	16.019271
"34137"	625.351066	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M-2H+Na"	20.974666
"478076"	927.539266	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M-2H+Na"	20.974666
"849679"	323.162866	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-2H+Na"	20.974666
"1621036"	323.162866	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Na-2H"	20.974666
"98656"	319.169263	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M-H+Cl"	33.962126
"537129"	470.263363	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M-H+Cl"	33.962126
"941954"	168.075163	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-H+Cl"	33.962126
"279050"	639.345802	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+Cl"	34.969402
"669282"	941.534002	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+Cl"	34.969402
"1288382"	337.157602	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Cl"	34.969402
"31390"	641.325006	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M-2H+K"	36.948606
"471386"	943.513206	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M-2H+K"	36.948606
"848438"	339.136806	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-2H+K"	36.948606
"1568743"	339.136806	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+K-2H"	36.948606
"956628"	347.186394	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-H+HCOOH"	44.998194
"374478"	649.374601	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+HCOOH-H"	44.998201
"359698"	663.390251	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+Hac-H"	59.013851
"1505005"	361.202051	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Hac-H"	59.013851
"965985"	369.168351	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-H+NaCOOH"	66.980151
"117078"	337.157602	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+2Cl"	69.938804
"559919"	488.251702	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+2Cl"	69.938804
"1029811"	186.063502	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2Cl"	69.938804
"1251574"	381.107085	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Br"	78.918885
"1318046"	383.163072	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Cl+HCOOH"	80.974872
"1335179"	405.145029	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Cl+NaCOOH"	102.956829
"923682"	415.173786	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M-H+CF3COOH"	112.985586
"1298205"	451.150464	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Cl+CF3COOH"	148.962264
"1382703"	267.175524	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H-2H2O"	-35.012676
"1398350"	285.1855	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H-H2O"	-17.0027
"294644"	605.383676	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+H"	1.007276
"688158"	907.571876	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+H"	1.007276
"1363415"	303.195476	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H"	1.007276
"130835"	303.195476	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+2H"	2.014552
"576963"	454.289576	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+2H"	2.014552
"1050135"	152.101376	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2H"	2.014552
"215851"	202.466076	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+3H"	3.021828
"654318"	303.195476	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+3H"	3.021828
"1173536"	101.736676	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+3H"	3.021828
"433530"	622.410223	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+NH4"	18.033823
"795617"	924.598423	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+NH4"	18.033823
"1694136"	320.222023	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+NH4"	18.033823
"344600"	311.7087495	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+H+NH4"	19.041099
"733741"	462.8028495	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+H+NH4"	19.041099
"1488654"	160.6146495	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H+NH4"	19.041099
"405147"	627.365618	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+Na"	22.989218
"758125"	929.553818	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+Na"	22.989218
"1606588"	325.177418	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Na"	22.989218
"322093"	314.186447	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+H+Na"	23.996494
"715609"	465.280547	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+H+Na"	23.996494
"1467243"	163.092347	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H+Na"	23.996494
"1059395"	109.06399	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2H+Na"	25.00377
"1261073"	335.221686	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+CH3OH+H"	33.033486
"385115"	643.339558	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+K"	38.963158
"743923"	945.527758	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+K"	38.963158
"1545977"	341.151358	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+K"	38.963158
"304246"	322.173417	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+H+K"	39.970434
"698853"	473.267517	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+H+K"	39.970434
"1455955"	171.079317	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H+K"	39.970434
"237630"	646.410226	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+ACN+H"	42.033826
"1217269"	344.222026	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+ACN+H"	42.033826
"1197873"	172.614651	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+ACN+2H"	43.041102
"190011"	649.34756	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+2Na-H"	44.97116
"631398"	951.53576	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+2Na-H"	44.97116
"1131374"	347.15936	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2Na-H"	44.97116
"178194"	325.177418	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+2Na"	45.978436
"614594"	476.271518	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+2Na"	45.978436
"1116398"	174.083318	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2Na"	45.978436
"1400775"	116.391304	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H+2Na"	46.985712
"1430702"	349.200946	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H+HCOOH"	47.012746
"229881"	330.21044	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+3H2O+2H"	56.04448
"1517945"	363.25299	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+IsoProp+H"	61.06479
"413258"	333.164388	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+Na+K"	61.952376
"775345"	484.258488	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+Na+K"	61.952376
"1668395"	182.070288	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Na+K"	61.952376
"256007"	668.392168	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+ACN+Na"	64.015768
"1230537"	366.203968	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+ACN+Na"	64.015768
"1716511"	366.227493	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+NH4+HCOOH"	64.039293
"1182953"	123.718618	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+3Na"	68.967654
"1655397"	371.182888	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Na+HCOOH"	68.994688
"159713"	681.29544	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+2K-H"	76.91904
"599639"	983.48364	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+2K-H"	76.91904
"1091445"	379.10724	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2K-H"	76.91904
"149355"	341.151358	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"2M+2K"	77.926316
"590010"	492.245458	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"3M+2K"	77.926316
"1080719"	190.057258	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2K"	77.926316
"1106637"	381.121792	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2K+H"	78.933592
"1344115"	381.209407	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+DMSO+H"	79.021207
"1015926"	385.248576	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2ACN+H"	83.060376
"1532957"	386.242208	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+IsoProp+Na+H"	84.054008
"1001594"	193.127926	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+2ACN+2H"	84.067652
"1592819"	387.156828	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+K+HCOOH"	84.968628
"1423950"	417.188338	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+H+CF3COOH"	115.000138
"1157521"	213.641201	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+3ACN+2H"	125.094202
"1707072"	434.214885	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+NH4+CF3COOH"	132.026685
"1648191"	439.17028	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+Na+CF3COOH"	136.98208
"1579466"	455.14422	"C20693"	"Carlactone"	"C19H26O3"	"302.1882"	"M+K+CF3COOH"	152.95602
"808741"	138.0681	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M"	0
"981180"	119.04971	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-H2O-H"	-19.01839
"62998"	91.038124	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M-3H"	-3.021828
"503630"	137.060824	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M-3H"	-3.021828
"880337"	45.015424	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-3H"	-3.021828
"1708"	137.060824	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M-2H"	-2.014552
"441026"	206.094874	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M-2H"	-2.014552
"817210"	68.026774	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-2H"	-2.014552
"79184"	275.128924	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M-H"	-1.007276
"519353"	413.197024	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M-H"	-1.007276
"900073"	137.060824	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-H"	-1.007276
"53355"	292.155471	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M-2H+NH4"	16.019271
"491822"	430.223571	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M-2H+NH4"	16.019271
"867435"	154.087371	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-2H+NH4"	16.019271
"35338"	297.110866	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M-2H+Na"	20.974666
"473445"	435.178966	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M-2H+Na"	20.974666
"849787"	159.042766	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-2H+Na"	20.974666
"1620417"	159.042766	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Na-2H"	20.974666
"95850"	155.049163	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M-H+Cl"	33.962126
"541612"	224.083213	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M-H+Cl"	33.962126
"942388"	86.015113	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-H+Cl"	33.962126
"278796"	311.105602	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+Cl"	34.969402
"668299"	449.173702	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+Cl"	34.969402
"1288089"	173.037502	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Cl"	34.969402
"30560"	313.084806	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M-2H+K"	36.948606
"470968"	451.152906	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M-2H+K"	36.948606
"848408"	175.016706	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-2H+K"	36.948606
"1569947"	175.016706	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+K-2H"	36.948606
"958074"	183.066294	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-H+HCOOH"	44.998194
"374952"	321.134401	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+HCOOH-H"	44.998201
"357377"	335.150051	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+Hac-H"	59.013851
"1502927"	197.081951	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Hac-H"	59.013851
"966095"	205.048251	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-H+NaCOOH"	66.980151
"119375"	173.037502	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+2Cl"	69.938804
"561122"	242.071552	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+2Cl"	69.938804
"1031014"	104.003452	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2Cl"	69.938804
"1250591"	216.986985	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Br"	78.918885
"1317428"	219.042972	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Cl+HCOOH"	80.974872
"1334558"	241.024929	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Cl+NaCOOH"	102.956829
"925981"	251.053686	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M-H+CF3COOH"	112.985586
"1298315"	287.030364	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Cl+CF3COOH"	148.962264
"1382310"	103.055424	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H-2H2O"	-35.012676
"1393972"	121.0654	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H-H2O"	-17.0027
"292571"	277.143476	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+H"	1.007276
"687177"	415.211576	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+H"	1.007276
"1359152"	139.075376	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H"	1.007276
"130945"	139.075376	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+2H"	2.014552
"574887"	208.109426	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+2H"	2.014552
"1050245"	70.041326	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2H"	2.014552
"215962"	93.052676	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+3H"	3.021828
"653336"	139.075376	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+3H"	3.021828
"1175835"	47.029976	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+3H"	3.021828
"435828"	294.170023	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+NH4"	18.033823
"796820"	432.238123	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+NH4"	18.033823
"1694975"	156.101923	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+NH4"	18.033823
"343617"	147.5886495	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+H+NH4"	19.041099
"737131"	216.6226995	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+H+NH4"	19.041099
"1488764"	78.5545995	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H+NH4"	19.041099
"405257"	299.125418	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+Na"	22.989218
"757140"	437.193518	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+Na"	22.989218
"1609979"	161.057318	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Na"	22.989218
"324389"	150.066347	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+H+Na"	23.996494
"710614"	219.100397	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+H+Na"	23.996494
"1466988"	81.032297	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H+Na"	23.996494
"1054035"	54.35729	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2H+Na"	25.00377
"1261911"	171.101586	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+CH3OH+H"	33.033486
"381943"	315.099358	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+K"	38.963158
"742210"	453.167458	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+K"	38.963158
"1543535"	177.031258	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+K"	38.963158
"303262"	158.053317	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+H+K"	39.970434
"698963"	227.087367	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+H+K"	39.970434
"1453878"	89.019267	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H+K"	39.970434
"240295"	318.170026	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+ACN+H"	42.033826
"1215194"	180.101926	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+ACN+H"	42.033826
"1199441"	90.554601	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+ACN+2H"	43.041102
"188594"	321.10736	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+2Na-H"	44.97116
"631508"	459.17546	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+2Na-H"	44.97116
"1131432"	183.03926	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2Na-H"	44.97116
"175388"	161.057318	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+2Na"	45.978436
"616770"	230.091368	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+2Na"	45.978436
"1117360"	92.023268	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2Na"	45.978436
"1404166"	61.684604	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H+2Na"	46.985712
"1430245"	185.080846	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H+HCOOH"	47.012746
"229991"	166.09034	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+3H2O+2H"	56.04448
"1518055"	199.13289	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+IsoProp+H"	61.06479
"413732"	169.044288	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+Na+K"	61.952376
"775090"	238.078338	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+Na+K"	61.952376
"1668504"	100.010238	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Na+K"	61.952376
"254658"	340.151968	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+ACN+Na"	64.015768
"1228824"	202.083868	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+ACN+Na"	64.015768
"1716622"	202.107393	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+NH4+HCOOH"	64.039293
"1181971"	69.011918	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+3Na"	68.967654
"1655871"	207.062788	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+Na+HCOOH"	68.994688
"160187"	353.05524	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+2K-H"	76.91904
"599385"	491.12334	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+2K-H"	76.91904
"1092648"	214.98714	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2K-H"	76.91904
"150558"	177.031258	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"2M+2K"	77.926316
"595346"	246.065308	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"3M+2K"	77.926316
"1081922"	107.997208	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2K"	77.926316
"1110026"	217.001692	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2K+H"	78.933592
"1342038"	217.089307	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+DMSO+H"	79.021207
"1016036"	221.128476	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2ACN+H"	83.060376
"1533067"	222.122108	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+IsoProp+Na+H"	84.054008
"1001704"	111.067876	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+2ACN+2H"	84.067652
"1597303"	223.036728	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+K+HCOOH"	84.968628
"1425153"	253.068238	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+H+CF3COOH"	115.000138
"1157631"	131.581151	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+3ACN+2H"	125.094202
"1707182"	270.094785	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+NH4+CF3COOH"	132.026685
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"1579576"	291.02412	"C20694"	"(2E4E6E)-7-Hydroxy-4-methylhepta-246-trienal"	"C8H10O2"	"138.0681"	"M+K+CF3COOH"	152.95602
"809944"	376.2766	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M"	0
"982383"	357.25821	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H2O-H"	-19.01839
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"503530"	375.269324	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-3H"	-3.021828
"880446"	124.418257333333	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-3H"	-3.021828
"276"	375.269324	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H"	-2.014552
"440773"	563.407624	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H"	-2.014552
"817365"	187.131024	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H"	-2.014552
"79781"	751.545924	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-H"	-1.007276
"519589"	1127.822524	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-H"	-1.007276
"896902"	375.269324	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H"	-1.007276
"51279"	768.572471	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H+NH4"	16.019271
"491202"	1144.849071	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H+NH4"	16.019271
"867910"	392.295871	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H+NH4"	16.019271
"34356"	773.527866	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H+Na"	20.974666
"471771"	1149.804466	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H+Na"	20.974666
"848680"	397.251266	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H+Na"	20.974666
"1620163"	397.251266	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na-2H"	20.974666
"94663"	393.257663	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-H+Cl"	33.962126
"540629"	581.395963	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-H+Cl"	33.962126
"941813"	205.119363	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+Cl"	33.962126
"281094"	787.522602	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+Cl"	34.969402
"669138"	1163.799202	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+Cl"	34.969402
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"30185"	789.501806	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M-2H+K"	36.948606
"467312"	1165.778406	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M-2H+K"	36.948606
"845842"	413.225206	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-2H+K"	36.948606
"1569329"	413.225206	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+K-2H"	36.948606
"956119"	421.274794	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+HCOOH"	44.998194
"376872"	797.551401	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+HCOOH-H"	44.998201
"360040"	811.567051	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+Hac-H"	59.013851
"1507050"	435.290451	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Hac-H"	59.013851
"971310"	443.256751	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+NaCOOH"	66.980151
"120946"	411.246002	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2Cl"	69.938804
"561235"	599.384302	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2Cl"	69.938804
"1027847"	223.107702	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2Cl"	69.938804
"1247787"	455.195485	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Br"	78.918885
"1317903"	457.251472	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Cl+HCOOH"	80.974872
"1330660"	479.233429	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Cl+NaCOOH"	102.956829
"923905"	489.262186	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M-H+CF3COOH"	112.985586
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"1397855"	359.2739	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H-H2O"	-17.0027
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"687286"	1129.837076	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+H"	1.007276
"1364362"	377.283876	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H"	1.007276
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"434845"	770.587023	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+NH4"	18.033823
"797663"	1146.863623	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+NH4"	18.033823
"1692901"	394.310423	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+NH4"	18.033823
"343364"	385.7971495	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+H+NH4"	19.041099
"727767"	573.9354495	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+H+NH4"	19.041099
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"761993"	1151.819018	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+Na"	22.989218
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"776661"	595.391088	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+Na+K"	61.952376
"1675178"	219.114488	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na+K"	61.952376
"254042"	816.568968	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+ACN+Na"	64.015768
"1227844"	440.292368	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+ACN+Na"	64.015768
"1717825"	440.315893	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+NH4+HCOOH"	64.039293
"1183178"	148.414751333333	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+3Na"	68.967654
"1652706"	445.271288	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na+HCOOH"	68.994688
"161029"	829.47224	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2K-H"	76.91904
"599490"	1205.74884	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2K-H"	76.91904
"1091667"	453.19564	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2K-H"	76.91904
"153952"	415.239758	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"2M+2K"	77.926316
"591325"	603.378058	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"3M+2K"	77.926316
"1080209"	227.101458	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2K"	77.926316
"1111233"	455.210192	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2K+H"	78.933592
"1346524"	455.297807	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+DMSO+H"	79.021207
"1015052"	459.336976	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2ACN+H"	83.060376
"1528802"	460.330608	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+IsoProp+Na+H"	84.054008
"998533"	230.172126	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+2ACN+2H"	84.067652
"1596320"	461.245228	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+K+HCOOH"	84.968628
"1427088"	491.276738	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+H+CF3COOH"	115.000138
"1157741"	250.685401	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+3ACN+2H"	125.094202
"1711303"	508.303285	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+NH4+CF3COOH"	132.026685
"1647318"	513.25868	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+Na+CF3COOH"	136.98208
"1586247"	529.23262	"C20695"	"all-trans-10-Apo-beta-carotenal"	"C27H36O"	"376.2766"	"M+K+CF3COOH"	152.95602
"808960"	258.1984	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M"	0
"981400"	239.18001	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-H2O-H"	-19.01839
"65267"	171.124990666667	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M-3H"	-3.021828
"503604"	257.191124	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M-3H"	-3.021828
"880557"	85.0588573333333	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-3H"	-3.021828
"588"	257.191124	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M-2H"	-2.014552
"441611"	386.290324	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M-2H"	-2.014552
"817836"	128.091924	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-2H"	-2.014552
"80012"	515.389524	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M-H"	-1.007276
"521035"	773.587924	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M-H"	-1.007276
"898468"	257.191124	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-H"	-1.007276
"51389"	532.416071	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M-2H+NH4"	16.019271
"494230"	790.614471	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M-2H+NH4"	16.019271
"867656"	274.217671	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-2H+NH4"	16.019271
"36652"	537.371466	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M-2H+Na"	20.974666
"472329"	795.569866	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M-2H+Na"	20.974666
"849764"	279.173066	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-2H+Na"	20.974666
"1619056"	279.173066	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Na-2H"	20.974666
"96799"	275.179463	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M-H+Cl"	33.962126
"540739"	404.278663	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M-H+Cl"	33.962126
"942295"	146.080263	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-H+Cl"	33.962126
"281692"	551.366202	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+Cl"	34.969402
"672165"	809.564602	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+Cl"	34.969402
"1287862"	293.167802	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Cl"	34.969402
"30667"	553.345406	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M-2H+K"	36.948606
"469367"	811.543806	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M-2H+K"	36.948606
"846806"	295.147006	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-2H+K"	36.948606
"1570049"	295.147006	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+K-2H"	36.948606
"956476"	303.196594	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-H+HCOOH"	44.998194
"375661"	561.395001	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+HCOOH-H"	44.998201
"357961"	575.410651	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+Hac-H"	59.013851
"1504608"	317.212251	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Hac-H"	59.013851
"970327"	325.178551	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-H+NaCOOH"	66.980151
"121419"	293.167802	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+2Cl"	69.938804
"562804"	422.267002	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+2Cl"	69.938804
"1030142"	164.068602	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2Cl"	69.938804
"1248625"	337.117285	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Br"	78.918885
"1319348"	339.173272	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Cl+HCOOH"	80.974872
"1335319"	361.155229	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Cl+NaCOOH"	102.956829
"926942"	371.183986	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M-H+CF3COOH"	112.985586
"1300725"	407.160664	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Cl+CF3COOH"	148.962264
"1382656"	223.185724	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H-2H2O"	-35.012676
"1397963"	241.1957	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H-H2O"	-17.0027
"294978"	517.404076	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+H"	1.007276
"689464"	775.602476	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+H"	1.007276
"1366177"	259.205676	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H"	1.007276
"137725"	259.205676	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+2H"	2.014552
"575102"	388.304876	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+2H"	2.014552
"1051557"	130.106476	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2H"	2.014552
"218368"	173.139542666667	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+3H"	3.021828
"657930"	259.205676	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+3H"	3.021828
"1177148"	87.0734093333333	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+3H"	3.021828
"437138"	534.430623	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+NH4"	18.033823
"798138"	792.629023	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+NH4"	18.033823
"1693375"	276.232223	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+NH4"	18.033823
"344566"	267.7189495	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+H+NH4"	19.041099
"730064"	396.8181495	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+H+NH4"	19.041099
"1487895"	138.6197495	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H+NH4"	19.041099
"406572"	539.386018	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+Na"	22.989218
"758456"	797.584418	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+Na"	22.989218
"1610201"	281.187618	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Na"	22.989218
"325704"	270.196647	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+H+Na"	23.996494
"717034"	399.295847	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+H+Na"	23.996494
"1467574"	141.097447	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H+Na"	23.996494
"1055352"	94.4007233333333	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2H+Na"	25.00377
"1259217"	291.231886	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+CH3OH+H"	33.033486
"381436"	555.359958	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+K"	38.963158
"742069"	813.558358	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+K"	38.963158
"1549588"	297.161558	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+K"	38.963158
"307857"	278.183617	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+H+K"	39.970434
"703558"	407.282817	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+H+K"	39.970434
"1457378"	149.084417	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H+K"	39.970434
"239423"	558.430626	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+ACN+H"	42.033826
"1215413"	300.232226	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+ACN+H"	42.033826
"1199297"	150.619751	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+ACN+2H"	43.041102
"197636"	561.36796	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+2Na-H"	44.97116
"633915"	819.56636	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+2Na-H"	44.97116
"1132152"	303.16956	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2Na-H"	44.97116
"174514"	281.187618	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+2Na"	45.978436
"613587"	410.286818	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+2Na"	45.978436
"1121227"	152.088418	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2Na"	45.978436
"1402200"	101.728037333333	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H+2Na"	46.985712
"1431035"	305.211146	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H+HCOOH"	47.012746
"229483"	286.22064	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+3H2O+2H"	56.04448
"1519369"	319.26319	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+IsoProp+H"	61.06479
"419057"	289.174588	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+Na+K"	61.952376
"778958"	418.273788	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+Na+K"	61.952376
"1673829"	160.075388	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Na+K"	61.952376
"256338"	580.412568	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+ACN+Na"	64.015768
"1229048"	322.214168	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+ACN+Na"	64.015768
"1719028"	322.237693	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+NH4+HCOOH"	64.039293
"1183287"	109.055351333333	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+3Na"	68.967654
"1652815"	327.193088	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Na+HCOOH"	68.994688
"162232"	593.31584	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+2K-H"	76.91904
"599235"	851.51424	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+2K-H"	76.91904
"1090683"	335.11744	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2K-H"	76.91904
"150778"	297.161558	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"2M+2K"	77.926316
"590341"	426.260758	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"3M+2K"	77.926316
"1078133"	168.062358	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2K"	77.926316
"1110246"	337.131992	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2K+H"	78.933592
"1341165"	337.219607	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+DMSO+H"	79.021207
"1014069"	341.258776	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2ACN+H"	83.060376
"1527819"	342.252408	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+IsoProp+Na+H"	84.054008
"993174"	171.133026	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+2ACN+2H"	84.067652
"1594242"	343.167028	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+K+HCOOH"	84.968628
"1427198"	373.198538	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+H+CF3COOH"	115.000138
"1157851"	191.646301	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+3ACN+2H"	125.094202
"1711413"	390.225085	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+NH4+CF3COOH"	132.026685
"1647428"	395.18048	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+Na+CF3COOH"	136.98208
"1586357"	411.15442	"C20696"	"13-Apo-beta-carotenone"	"C18H26O"	"258.1984"	"M+K+CF3COOH"	152.95602
"812350"	150.0681	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M"	0
"978228"	131.04971	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-H2O-H"	-19.01839
"69751"	99.038124	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M-3H"	-3.021828
"502842"	149.060824	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M-3H"	-3.021828
"879973"	49.015424	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-3H"	-3.021828
"135"	149.060824	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M-2H"	-2.014552
"442693"	224.094874	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M-2H"	-2.014552
"817459"	74.026774	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-2H"	-2.014552
"79193"	299.128924	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M-H"	-1.007276
"520414"	449.197024	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M-H"	-1.007276
"898579"	149.060824	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-H"	-1.007276
"50403"	316.155471	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M-2H+NH4"	16.019271
"494340"	466.223571	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M-2H+NH4"	16.019271
"867401"	166.087371	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-2H+NH4"	16.019271
"34576"	321.110866	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M-2H+Na"	20.974666
"472437"	471.178966	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M-2H+Na"	20.974666
"849508"	171.042766	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-2H+Na"	20.974666
"1619002"	171.042766	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Na-2H"	20.974666
"96910"	167.049163	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M-H+Cl"	33.962126
"534650"	242.083213	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M-H+Cl"	33.962126
"941918"	92.015113	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-H+Cl"	33.962126
"281558"	335.105602	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+Cl"	34.969402
"671910"	485.173702	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+Cl"	34.969402
"1286757"	185.037502	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Cl"	34.969402
"29800"	337.084806	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M-2H+K"	36.948606
"469719"	487.152906	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M-2H+K"	36.948606
"846794"	187.016706	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-2H+K"	36.948606
"1570646"	187.016706	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+K-2H"	36.948606
"957434"	195.066294	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-H+HCOOH"	44.998194
"376256"	345.134401	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+HCOOH-H"	44.998201
"358434"	359.150051	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+Hac-H"	59.013851
"1506177"	209.081951	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Hac-H"	59.013851
"970436"	217.048251	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-H+NaCOOH"	66.980151
"121165"	185.037502	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+2Cl"	69.938804
"559995"	260.071552	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+2Cl"	69.938804
"1030252"	110.003452	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2Cl"	69.938804
"1246913"	228.986985	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Br"	78.918885
"1319343"	231.042972	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Cl+HCOOH"	80.974872
"1335386"	253.024929	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Cl+NaCOOH"	102.956829
"926685"	263.053686	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M-H+CF3COOH"	112.985586
"1301928"	299.030364	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Cl+CF3COOH"	148.962264
"1382744"	115.055424	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H-2H2O"	-35.012676
"1398349"	133.0654	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H-H2O"	-17.0027
"298249"	301.143476	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+H"	1.007276
"690667"	451.211576	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+H"	1.007276
"1364584"	151.075376	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H"	1.007276
"135649"	151.075376	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+2H"	2.014552
"575212"	226.109426	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+2H"	2.014552
"1050574"	76.041326	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2H"	2.014552
"215197"	101.052676	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+3H"	3.021828
"655854"	151.075376	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+3H"	3.021828
"1172885"	51.029976	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+3H"	3.021828
"435062"	318.170023	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+NH4"	18.033823
"797155"	468.238123	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+NH4"	18.033823
"1692392"	168.101923	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+NH4"	18.033823
"341760"	159.5886495	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+H+NH4"	19.041099
"731266"	234.6226995	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+H+NH4"	19.041099
"1485816"	84.5545995	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H+NH4"	19.041099
"399391"	323.125418	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+Na"	22.989218
"763305"	473.193518	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+Na"	22.989218
"1607759"	173.057318	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Na"	22.989218
"324722"	162.066347	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+H+Na"	23.996494
"713864"	237.100397	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+H+Na"	23.996494
"1463672"	87.032297	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H+Na"	23.996494
"1058742"	58.35729	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2H+Na"	25.00377
"1260055"	183.101586	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+CH3OH+H"	33.033486
"382276"	339.099358	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+K"	38.963158
"744365"	489.167458	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+K"	38.963158
"1546418"	189.031258	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+K"	38.963158
"307968"	170.053317	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+H+K"	39.970434
"699293"	245.087367	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+H+K"	39.970434
"1454207"	95.019267	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H+K"	39.970434
"242816"	342.170026	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+ACN+H"	42.033826
"1217710"	192.101926	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+ACN+H"	42.033826
"1202688"	96.554601	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+ACN+2H"	43.041102
"195559"	345.10736	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+2Na-H"	44.97116
"634025"	495.17546	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+2Na-H"	44.97116
"1136437"	195.03926	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2Na-H"	44.97116
"174137"	173.057318	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+2Na"	45.978436
"613575"	248.091368	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+2Na"	45.978436
"1121337"	98.023268	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2Na"	45.978436
"1402674"	65.684604	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H+2Na"	46.985712
"1431992"	197.080846	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H+HCOOH"	47.012746
"229228"	178.09034	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+3H2O+2H"	56.04448
"1517292"	211.13289	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+IsoProp+H"	61.06479
"419167"	181.044288	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+Na+K"	61.952376
"781255"	256.078338	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+Na+K"	61.952376
"1676126"	106.010238	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Na+K"	61.952376
"258635"	364.151968	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+ACN+Na"	64.015768
"1229886"	214.083868	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+ACN+Na"	64.015768
"1719138"	214.107393	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+NH4+HCOOH"	64.039293
"1181938"	73.011918	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+3Na"	68.967654
"1652926"	219.062788	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Na+HCOOH"	68.994688
"162342"	377.05524	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+2K-H"	76.91904
"598981"	527.12334	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+2K-H"	76.91904
"1091887"	226.98714	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2K-H"	76.91904
"148702"	189.031258	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"2M+2K"	77.926316
"587171"	264.065308	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"3M+2K"	77.926316
"1076057"	113.997208	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2K"	77.926316
"1108170"	229.001692	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2K+H"	78.933592
"1341275"	229.089307	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+DMSO+H"	79.021207
"1008711"	233.128476	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2ACN+H"	83.060376
"1528289"	234.122108	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+IsoProp+Na+H"	84.054008
"993284"	117.067876	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+2ACN+2H"	84.067652
"1593259"	235.036728	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+K+HCOOH"	84.968628
"1425484"	265.068238	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+H+CF3COOH"	115.000138
"1160148"	137.581151	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+3ACN+2H"	125.094202
"1711887"	282.094785	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+NH4+CF3COOH"	132.026685
"1647538"	287.05018	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+Na+CF3COOH"	136.98208
"1586467"	303.02412	"C20697"	"(2E4E6E)-4-Methylocta-246-trienedial"	"C9H10O2"	"150.0681"	"M+K+CF3COOH"	152.95602
"812460"	225.1325	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M"	0
"977245"	206.11411	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-H2O-H"	-19.01839
"73141"	149.081057333333	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M-3H"	-3.021828
"503024"	224.125224	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M-3H"	-3.021828
"879964"	74.0368906666667	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-3H"	-3.021828
"693"	224.125224	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M-2H"	-2.014552
"442075"	336.691474	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M-2H"	-2.014552
"817566"	111.558974	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-2H"	-2.014552
"80719"	449.257724	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M-H"	-1.007276
"520889"	674.390224	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M-H"	-1.007276
"898689"	224.125224	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-H"	-1.007276
"50879"	466.284271	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M-2H+NH4"	16.019271
"488983"	691.416771	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M-2H+NH4"	16.019271
"866783"	241.151771	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-2H+NH4"	16.019271
"37966"	471.239666	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M-2H+Na"	20.974666
"472062"	696.372166	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M-2H+Na"	20.974666
"852049"	246.107166	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-2H+Na"	20.974666
"1618476"	246.107166	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Na-2H"	20.974666
"94873"	242.113563	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M-H+Cl"	33.962126
"534249"	354.679813	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M-H+Cl"	33.962126
"942713"	129.547313	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-H+Cl"	33.962126
"282275"	485.234402	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+Cl"	34.969402
"672020"	710.366902	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+Cl"	34.969402
"1287725"	260.101902	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Cl"	34.969402
"30036"	487.213606	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M-2H+K"	36.948606
"471170"	712.346106	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M-2H+K"	36.948606
"847639"	262.081106	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-2H+K"	36.948606
"1569295"	262.081106	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+K-2H"	36.948606
"956451"	270.130694	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-H+HCOOH"	44.998194
"373571"	495.263201	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+HCOOH-H"	44.998201
"356358"	509.278851	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+Hac-H"	59.013851
"1503371"	284.146351	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Hac-H"	59.013851
"970182"	292.112651	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-H+NaCOOH"	66.980151
"120183"	260.101902	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+2Cl"	69.938804
"559376"	372.668152	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+2Cl"	69.938804
"1029269"	147.535652	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2Cl"	69.938804
"1247752"	304.051385	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Br"	78.918885
"1318723"	306.107372	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Cl+HCOOH"	80.974872
"1335495"	328.089329	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Cl+NaCOOH"	102.956829
"926755"	338.118086	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M-H+CF3COOH"	112.985586
"1302041"	374.094764	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Cl+CF3COOH"	148.962264
"1381172"	190.119824	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H-2H2O"	-35.012676
"1397576"	208.1298	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H-H2O"	-17.0027
"295197"	451.272276	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+H"	1.007276
"691264"	676.404776	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+H"	1.007276
"1363965"	226.139776	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H"	1.007276
"134664"	226.139776	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+2H"	2.014552
"568762"	338.706026	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+2H"	2.014552
"1051778"	113.573526	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2H"	2.014552
"214216"	151.095609333333	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+3H"	3.021828
"654870"	226.139776	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+3H"	3.021828
"1175181"	76.0514426666667	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+3H"	3.021828
"435172"	468.298823	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+NH4"	18.033823
"797263"	693.431323	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+NH4"	18.033823
"1693230"	243.166323	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+NH4"	18.033823
"339683"	234.6530495	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+H+NH4"	19.041099
"731015"	347.2192995	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+H+NH4"	19.041099
"1487022"	122.0867995	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H+NH4"	19.041099
"402418"	473.254218	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+Na"	22.989218
"765602"	698.386718	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+Na"	22.989218
"1613701"	248.121718	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Na"	22.989218
"324833"	237.130747	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+H+Na"	23.996494
"717253"	349.696997	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+H+Na"	23.996494
"1463418"	124.564497	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H+Na"	23.996494
"1061040"	83.3787566666667	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2H+Na"	25.00377
"1268186"	258.165986	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+CH3OH+H"	33.033486
"385667"	489.228158	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+K"	38.963158
"745569"	714.360658	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+K"	38.963158
"1547622"	264.095658	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+K"	38.963158
"309172"	245.117717	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+H+K"	39.970434
"702684"	357.683967	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+H+K"	39.970434
"1452130"	132.551467	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H+K"	39.970434
"241828"	492.298826	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+ACN+H"	42.033826
"1211255"	267.166326	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+ACN+H"	42.033826
"1201704"	134.086801	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+ACN+2H"	43.041102
"195668"	495.23616	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+2Na-H"	44.97116
"634134"	720.36866	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+2Na-H"	44.97116
"1139827"	270.10366	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2Na-H"	44.97116
"174004"	248.121718	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+2Na"	45.978436
"612853"	360.687968	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+2Na"	45.978436
"1115849"	135.555468	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2Na"	45.978436
"1400473"	90.7060706666667	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H+2Na"	46.985712
"1430154"	272.145246	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H+HCOOH"	47.012746
"227151"	253.15474	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+3H2O+2H"	56.04448
"1519589"	286.19729	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+IsoProp+H"	61.06479
"422436"	256.108688	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+Na+K"	61.952376
"780271"	368.674938	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+Na+K"	61.952376
"1675507"	143.542438	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Na+K"	61.952376
"256558"	514.280768	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+ACN+Na"	64.015768
"1226716"	289.148268	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+ACN+Na"	64.015768
"1717061"	289.171793	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+NH4+HCOOH"	64.039293
"1179862"	98.0333846666667	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+3Na"	68.967654
"1651942"	294.127188	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Na+HCOOH"	68.994688
"161358"	527.18404	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+2K-H"	76.91904
"598362"	752.31654	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+2K-H"	76.91904
"1090175"	302.05154	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2K-H"	76.91904
"145167"	264.095658	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"2M+2K"	77.926316
"588374"	376.661908	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"3M+2K"	77.926316
"1077260"	151.529408	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2K"	77.926316
"1108280"	304.066092	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2K+H"	78.933592
"1341385"	304.153707	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+DMSO+H"	79.021207
"1007727"	308.192876	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2ACN+H"	83.060376
"1526214"	309.186508	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+IsoProp+Na+H"	84.054008
"992301"	154.600076	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+2ACN+2H"	84.067652
"1595556"	310.101128	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+K+HCOOH"	84.968628
"1425595"	340.132638	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+H+CF3COOH"	115.000138
"1160258"	175.113351	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+3ACN+2H"	125.094202
"1712243"	357.159185	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+NH4+CF3COOH"	132.026685
"1648377"	362.11458	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+Na+CF3COOH"	136.98208
"1586577"	378.08852	"C20698"	"2-Aminoethyl diphenylborinate;2-APB"	"C14H16BNO"	"225.1325"	"M+K+CF3COOH"	152.95602
"813299"	527.2439	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M"	0
"983551"	508.22551	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-H2O-H"	-19.01839
"74346"	350.488657333333	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M-3H"	-3.021828
"503697"	526.236624	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M-3H"	-3.021828
"880769"	174.740690666667	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-3H"	-3.021828
"559"	526.236624	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M-2H"	-2.014552
"445464"	789.858574	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M-2H"	-2.014552
"821082"	262.614674	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-2H"	-2.014552
"79251"	1053.480524	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M-H"	-1.007276
"520634"	1580.724424	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M-H"	-1.007276
"897341"	526.236624	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-H"	-1.007276
"50623"	1070.507071	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M-2H+NH4"	16.019271
"500025"	1597.750971	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M-2H+NH4"	16.019271
"872359"	543.263171	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-2H+NH4"	16.019271
"38073"	1075.462466	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M-2H+Na"	20.974666
"471725"	1602.706366	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M-2H+Na"	20.974666
"848672"	548.218566	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-2H+Na"	20.974666
"1618459"	548.218566	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Na-2H"	20.974666
"94940"	544.224963	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M-H+Cl"	33.962126
"534344"	807.846913	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M-H+Cl"	33.962126
"942663"	280.603013	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-H+Cl"	33.962126
"282508"	1089.457202	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+Cl"	34.969402
"674317"	1616.701102	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+Cl"	34.969402
"1287707"	562.213302	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Cl"	34.969402
"30144"	1091.436406	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M-2H+K"	36.948606
"471224"	1618.680306	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M-2H+K"	36.948606
"848473"	564.192506	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-2H+K"	36.948606
"1570498"	564.192506	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+K-2H"	36.948606
"954734"	572.242094	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-H+HCOOH"	44.998194
"374408"	1099.486001	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+HCOOH-H"	44.998201
"355738"	1113.501651	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+Hac-H"	59.013851
"1504937"	586.257751	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Hac-H"	59.013851
"966644"	594.224051	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-H+NaCOOH"	66.980151
"116644"	562.213302	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+2Cl"	69.938804
"559121"	825.835252	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+2Cl"	69.938804
"1029379"	298.591352	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+2Cl"	69.938804
"1250049"	606.162785	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Br"	78.918885
"1319320"	608.218772	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Cl+HCOOH"	80.974872
"1334380"	630.200729	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Cl+NaCOOH"	102.956829
"926661"	640.229486	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M-H+CF3COOH"	112.985586
"1301058"	676.206164	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Cl+CF3COOH"	148.962264
"1381890"	492.231224	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+H-2H2O"	-35.012676
"1394523"	510.2412	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+H-H2O"	-17.0027
"295307"	1055.495076	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+H"	1.007276
"691177"	1582.738976	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+H"	1.007276
"1360795"	528.251176	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+H"	1.007276
"134774"	528.251176	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+2H"	2.014552
"568872"	791.873126	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+2H"	2.014552
"1052258"	264.629226	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+2H"	2.014552
"219429"	352.503209333333	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+3H"	3.021828
"653888"	528.251176	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+3H"	3.021828
"1174199"	176.755242666667	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+3H"	3.021828
"435282"	1072.521623	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+NH4"	18.033823
"795186"	1599.765523	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+NH4"	18.033823
"1693704"	545.277723	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+NH4"	18.033823
"339793"	536.7644495	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+H+NH4"	19.041099
"731124"	800.3863995	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+H+NH4"	19.041099
"1487132"	273.1424995	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+H+NH4"	19.041099
"402528"	1077.477018	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+Na"	22.989218
"760245"	1604.720918	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+Na"	22.989218
"1612716"	550.233118	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Na"	22.989218
"326764"	539.242147	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+H+Na"	23.996494
"716269"	802.864097	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+H+Na"	23.996494
"1463160"	275.620197	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+H+Na"	23.996494
"1061150"	184.082556666667	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+2H+Na"	25.00377
"1265016"	560.277386	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+CH3OH+H"	33.033486
"390150"	1093.450958	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+K"	38.963158
"748959"	1620.694858	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+K"	38.963158
"1548825"	566.207058	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+K"	38.963158
"306000"	547.229117	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+H+K"	39.970434
"701336"	810.851067	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+H+K"	39.970434
"1448959"	283.607167	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+H+K"	39.970434
"240845"	1096.521626	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+ACN+H"	42.033826
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"1197805"	285.142501	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+ACN+2H"	43.041102
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"176667"	550.233118	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+2Na"	45.978436
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"1125199"	286.611168	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+2Na"	45.978436
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"225438"	555.26614	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+3H2O+2H"	56.04448
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"1677439"	294.598138	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+Na+K"	61.952376
"254115"	1118.503568	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"2M+ACN+Na"	64.015768
"1226826"	591.259668	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+ACN+Na"	64.015768
"1717170"	591.283193	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"M+NH4+HCOOH"	64.039293
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"598109"	1658.65074	"C20699"	"6-O-Carbamoylkanamycin A"	"C19H37N5O12"	"527.2439"	"3M+2K-H"	76.91904
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"824472"	108.094474	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M-2H"	-2.014552
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"33445"	457.381666	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M-2H+Na"	20.974666
"472402"	675.585166	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M-2H+Na"	20.974666
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"1618885"	239.178166	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Na-2H"	20.974666
"96145"	235.184563	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M-H+Cl"	33.962126
"534532"	344.286313	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M-H+Cl"	33.962126
"942528"	126.082813	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M-H+Cl"	33.962126
"280429"	471.376402	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+Cl"	34.969402
"673579"	689.579902	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+Cl"	34.969402
"1288413"	253.172902	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Cl"	34.969402
"30494"	473.355606	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M-2H+K"	36.948606
"469685"	691.559106	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M-2H+K"	36.948606
"847811"	255.152106	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M-2H+K"	36.948606
"1569879"	255.152106	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+K-2H"	36.948606
"955573"	263.201694	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M-H+HCOOH"	44.998194
"373788"	481.405201	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+HCOOH-H"	44.998201
"354754"	495.420851	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+Hac-H"	59.013851
"1503584"	277.217351	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Hac-H"	59.013851
"967846"	285.183651	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M-H+NaCOOH"	66.980151
"116754"	253.172902	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+2Cl"	69.938804
"559594"	362.274652	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+2Cl"	69.938804
"1029487"	144.071152	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2Cl"	69.938804
"1250157"	297.122385	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Br"	78.918885
"1311514"	299.178372	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Cl+HCOOH"	80.974872
"1335557"	321.160329	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Cl+NaCOOH"	102.956829
"926772"	331.189086	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M-H+CF3COOH"	112.985586
"1301168"	367.165764	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Cl+CF3COOH"	148.962264
"1381878"	183.190824	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H-2H2O"	-35.012676
"1394633"	201.2008	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H-H2O"	-17.0027
"296875"	437.414276	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+H"	1.007276
"690513"	655.617776	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+H"	1.007276
"1360905"	219.210776	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H"	1.007276
"134884"	219.210776	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+2H"	2.014552
"568982"	328.312526	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+2H"	2.014552
"1047623"	110.109026	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2H"	2.014552
"218567"	146.476276	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+3H"	3.021828
"655091"	219.210776	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+3H"	3.021828
"1172121"	73.741776	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+3H"	3.021828
"435392"	454.440823	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+NH4"	18.033823
"795296"	672.644323	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+NH4"	18.033823
"1694906"	236.237323	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+NH4"	18.033823
"336623"	227.7240495	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+H+NH4"	19.041099
"732326"	336.8257995	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+H+NH4"	19.041099
"1487241"	118.6222995	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H+NH4"	19.041099
"403730"	459.396218	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+Na"	22.989218
"761448"	677.599718	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+Na"	22.989218
"1609546"	241.192718	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Na"	22.989218
"326144"	230.201747	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+H+Na"	23.996494
"718565"	339.303497	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+H+Na"	23.996494
"1464361"	121.099997	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H+Na"	23.996494
"1063447"	81.06909	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2H+Na"	25.00377
"1259657"	251.236986	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+CH3OH+H"	33.033486
"385887"	475.370158	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+K"	38.963158
"747976"	693.573658	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+K"	38.963158
"1547841"	257.166658	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+K"	38.963158
"306110"	238.188717	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+H+K"	39.970434
"698529"	347.290467	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+H+K"	39.970434
"1447609"	129.086967	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H+K"	39.970434
"242048"	478.440826	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+ACN+H"	42.033826
"1213662"	260.237326	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+ACN+H"	42.033826
"1198642"	130.622301	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+ACN+2H"	43.041102
"190785"	481.37816	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+2Na-H"	44.97116
"629613"	699.58166	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+2Na-H"	44.97116
"1131945"	263.17466	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2Na-H"	44.97116
"176777"	241.192718	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+2Na"	45.978436
"614635"	350.294468	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+2Na"	45.978436
"1119842"	132.090968	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2Na"	45.978436
"1406646"	88.396404	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H+2Na"	46.985712
"1430867"	265.216246	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H+HCOOH"	47.012746
"225548"	246.22574	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+3H2O+2H"	56.04448
"1520174"	279.26829	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+IsoProp+H"	61.06479
"418402"	249.179688	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+Na+K"	61.952376
"778302"	358.281438	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+Na+K"	61.952376
"1671352"	140.077938	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Na+K"	61.952376
"254225"	500.422768	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+ACN+Na"	64.015768
"1226936"	282.219268	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+ACN+Na"	64.015768
"1714728"	282.242793	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+NH4+HCOOH"	64.039293
"1179105"	95.723718	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+3Na"	68.967654
"1651069"	287.198188	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Na+HCOOH"	68.994688
"158658"	513.32604	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+2K-H"	76.91904
"598948"	731.52954	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+2K-H"	76.91904
"1089301"	295.12254	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2K-H"	76.91904
"144658"	257.166658	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"2M+2K"	77.926316
"584218"	366.268408	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"3M+2K"	77.926316
"1072013"	148.064908	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2K"	77.926316
"1106313"	297.137092	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2K+H"	78.933592
"1340510"	297.224707	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+DMSO+H"	79.021207
"1009038"	301.263876	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2ACN+H"	83.060376
"1525343"	302.257508	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+IsoProp+Na+H"	84.054008
"992521"	151.135576	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+2ACN+2H"	84.067652
"1597963"	303.172128	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+K+HCOOH"	84.968628
"1428732"	333.203638	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+H+CF3COOH"	115.000138
"1162303"	171.648851	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+3ACN+2H"	125.094202
"1710760"	350.230185	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+NH4+CF3COOH"	132.026685
"1647503"	355.18558	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+Na+CF3COOH"	136.98208
"1586797"	371.15952	"C20700"	"(EE)-4812-Trimethyltrideca-13711-tetraene;TMTT"	"C16H26"	"218.2035"	"M+K+CF3COOH"	152.95602
"810603"	70.0419	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M"	0
"984139"	51.02351	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-H2O-H"	-19.01839
"69102"	45.687324	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M-3H"	-3.021828
"507566"	69.034624	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M-3H"	-3.021828
"887556"	22.340024	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-3H"	-3.021828
"6130"	69.034624	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M-2H"	-2.014552
"440341"	104.055574	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M-2H"	-2.014552
"817535"	34.013674	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-2H"	-2.014552
"79227"	139.076524	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M-H"	-1.007276
"519640"	209.118424	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M-H"	-1.007276
"896104"	69.034624	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-H"	-1.007276
"48902"	156.103071	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M-2H+NH4"	16.019271
"488827"	226.144971	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M-2H+NH4"	16.019271
"866144"	86.061171	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-2H+NH4"	16.019271
"37205"	161.058466	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M-2H+Na"	20.974666
"474700"	231.100366	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M-2H+Na"	20.974666
"853474"	91.016566	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-2H+Na"	20.974666
"1625198"	91.016566	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Na-2H"	20.974666
"95408"	87.022963	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M-H+Cl"	33.962126
"535333"	122.043913	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M-H+Cl"	33.962126
"941621"	52.002013	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-H+Cl"	33.962126
"280902"	175.053202	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+Cl"	34.969402
"671257"	245.095102	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+Cl"	34.969402
"1284754"	105.011302	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Cl"	34.969402
"29500"	177.032406	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M-2H+K"	36.948606
"470890"	247.074306	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M-2H+K"	36.948606
"848084"	106.990506	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-2H+K"	36.948606
"1569989"	106.990506	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+K-2H"	36.948606
"956048"	115.040094	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-H+HCOOH"	44.998194
"376332"	185.082001	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+HCOOH-H"	44.998201
"359240"	199.097651	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+Hac-H"	59.013851
"1505160"	129.055751	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Hac-H"	59.013851
"970514"	137.022051	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-H+NaCOOH"	66.980151
"121605"	105.011302	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+2Cl"	69.938804
"562627"	140.032252	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+2Cl"	69.938804
"1034703"	69.990352	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2Cl"	69.938804
"1252458"	148.960785	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Br"	78.918885
"1311990"	151.016772	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Cl+HCOOH"	80.974872
"1333504"	172.998729	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Cl+NaCOOH"	102.956829
"926273"	183.027486	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M-H+CF3COOH"	112.985586
"1303826"	219.004164	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Cl+CF3COOH"	148.962264
"1382352"	35.029224	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H-2H2O"	-35.012676
"1398230"	53.0392	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H-H2O"	-17.0027
"298460"	141.091076	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+H"	1.007276
"690990"	211.132976	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+H"	1.007276
"1366484"	71.049176	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H"	1.007276
"140465"	71.049176	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+2H"	2.014552
"574559"	106.070126	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+2H"	2.014552
"1047733"	36.028226	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2H"	2.014552
"216732"	47.701876	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+3H"	3.021828
"659212"	71.049176	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+3H"	3.021828
"1176608"	24.354576	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+3H"	3.021828
"439273"	158.117623	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+NH4"	18.033823
"800635"	228.159523	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+NH4"	18.033823
"1692832"	88.075723	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+NH4"	18.033823
"344391"	79.5624495	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+H+NH4"	19.041099
"729158"	114.5833995	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+H+NH4"	19.041099
"1484072"	44.5414995	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H+NH4"	19.041099
"403846"	163.073018	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+Na"	22.989218
"768119"	233.114918	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+Na"	22.989218
"1616098"	93.031118	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Na"	22.989218
"328446"	82.040147	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+H+Na"	23.996494
"720744"	117.061097	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+H+Na"	23.996494
"1468125"	47.019197	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H+Na"	23.996494
"1058090"	31.68189	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2H+Na"	25.00377
"1259403"	103.075386	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+CH3OH+H"	33.033486
"379800"	179.046958	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+K"	38.963158
"746994"	249.088858	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+K"	38.963158
"1549046"	109.005058	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+K"	38.963158
"308408"	90.027117	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+H+K"	39.970434
"704836"	125.048067	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+H+K"	39.970434
"1454647"	55.006167	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H+K"	39.970434
"243251"	182.117626	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+ACN+H"	42.033826
"1214136"	112.075726	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+ACN+H"	42.033826
"1196200"	56.541501	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+ACN+2H"	43.041102
"190531"	185.05496	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+2Na-H"	44.97116
"629277"	255.09686	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+2Na-H"	44.97116
"1134689"	115.01306	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2Na-H"	44.97116
"181262"	93.031118	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+2Na"	45.978436
"621916"	128.052068	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+2Na"	45.978436
"1123234"	58.010168	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2Na"	45.978436
"1405663"	39.009204	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H+2Na"	46.985712
"1430610"	117.054646	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H+HCOOH"	47.012746
"228574"	98.06414	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+3H2O+2H"	56.04448
"1520284"	131.10669	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+IsoProp+H"	61.06479
"418877"	101.018088	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+Na+K"	61.952376
"778412"	136.039038	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+Na+K"	61.952376
"1671462"	65.997138	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Na+K"	61.952376
"251660"	204.099568	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+ACN+Na"	64.015768
"1230693"	134.057668	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+ACN+Na"	64.015768
"1719581"	134.081193	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+NH4+HCOOH"	64.039293
"1183841"	46.336518	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+3Na"	68.967654
"1654828"	139.036588	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Na+HCOOH"	68.994688
"161691"	217.00284	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+2K-H"	76.91904
"600158"	287.04474	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+2K-H"	76.91904
"1089045"	146.96094	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2K-H"	76.91904
"144769"	109.005058	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"2M+2K"	77.926316
"588703"	144.026008	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"3M+2K"	77.926316
"1078683"	73.984108	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2K"	77.926316
"1108611"	148.975492	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2K+H"	78.933592
"1347185"	149.063107	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+DMSO+H"	79.021207
"1017536"	153.102276	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2ACN+H"	83.060376
"1531651"	154.095908	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+IsoProp+Na+H"	84.054008
"998098"	77.054776	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+2ACN+2H"	84.067652
"1595886"	155.010528	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+K+HCOOH"	84.968628
"1418264"	185.042038	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+H+CF3COOH"	115.000138
"1152927"	97.568051	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+3ACN+2H"	125.094202
"1711964"	202.068585	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+NH4+CF3COOH"	132.026685
"1649071"	207.02398	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+Na+CF3COOH"	136.98208
"1586907"	222.99792	"C20701"	"But-3-en-2-one;But-1-en-3-one;Methyl vinyl ketone;Butenone"	"C4H6O"	"70.0419"	"M+K+CF3COOH"	152.95602
"812903"	314.2457	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M"	0
"983156"	295.22731	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-H2O-H"	-19.01839
"65929"	208.489857333333	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M-3H"	-3.021828
"505490"	313.238424	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M-3H"	-3.021828
"881468"	103.741290666667	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-3H"	-3.021828
"2962"	313.238424	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M-2H"	-2.014552
"443616"	470.361274	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M-2H"	-2.014552
"818501"	156.115574	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-2H"	-2.014552
"80315"	627.484124	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M-H"	-1.007276
"520967"	941.729824	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M-H"	-1.007276
"902049"	313.238424	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-H"	-1.007276
"52051"	644.510671	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M-2H+NH4"	16.019271
"491612"	958.756371	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M-2H+NH4"	16.019271
"875975"	330.264971	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-2H+NH4"	16.019271
"40597"	649.466066	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M-2H+Na"	20.974666
"472383"	963.711766	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M-2H+Na"	20.974666
"855777"	335.220366	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-2H+Na"	20.974666
"1619843"	335.220366	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Na-2H"	20.974666
"95277"	331.226763	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M-H+Cl"	33.962126
"545414"	488.349613	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M-H+Cl"	33.962126
"941979"	174.103913	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-H+Cl"	33.962126
"281957"	663.460802	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+Cl"	34.969402
"675381"	977.706502	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+Cl"	34.969402
"1287673"	349.215102	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Cl"	34.969402
"30585"	665.440006	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M-2H+K"	36.948606
"469543"	979.685706	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M-2H+K"	36.948606
"847706"	351.194306	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-2H+K"	36.948606
"1568276"	351.194306	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+K-2H"	36.948606
"955435"	359.243894	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-H+HCOOH"	44.998194
"374377"	673.489601	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+HCOOH-H"	44.998201
"356804"	687.505251	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+Hac-H"	59.013851
"1504544"	373.259551	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Hac-H"	59.013851
"970990"	381.225851	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-H+NaCOOH"	66.980151
"118076"	349.215102	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+2Cl"	69.938804
"558727"	506.337952	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+2Cl"	69.938804
"1030805"	192.092252	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2Cl"	69.938804
"1248195"	393.164585	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Br"	78.918885
"1313929"	395.220572	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Cl+HCOOH"	80.974872
"1333249"	417.202529	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Cl+NaCOOH"	102.956829
"925766"	427.231286	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M-H+CF3COOH"	112.985586
"1298100"	463.207964	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Cl+CF3COOH"	148.962264
"1379543"	279.233024	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H-2H2O"	-35.012676
"1396676"	297.243	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H-H2O"	-17.0027
"286883"	629.498676	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+H"	1.007276
"682585"	943.744376	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+H"	1.007276
"1364408"	315.252976	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H"	1.007276
"134015"	315.252976	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+2H"	2.014552
"572489"	472.375826	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+2H"	2.014552
"1043111"	158.130126	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2H"	2.014552
"207365"	210.504409333333	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+3H"	3.021828
"653124"	315.252976	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+3H"	3.021828
"1169063"	105.755842666667	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+3H"	3.021828
"436710"	646.525223	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+NH4"	18.033823
"794426"	960.770923	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+NH4"	18.033823
"1686017"	332.279523	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+NH4"	18.033823
"340127"	323.7662495	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+H+NH4"	19.041099
"733640"	480.8890995	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+H+NH4"	19.041099
"1486368"	166.6433995	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H+NH4"	19.041099
"399579"	651.480618	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+Na"	22.989218
"758388"	965.726318	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+Na"	22.989218
"1615237"	337.234918	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Na"	22.989218
"317620"	326.243947	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+H+Na"	23.996494
"709307"	483.366797	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+H+Na"	23.996494
"1471513"	169.121097	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H+Na"	23.996494
"1059291"	113.083156666667	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2H+Na"	25.00377
"1266438"	347.279186	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+CH3OH+H"	33.033486
"386108"	667.454558	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+K"	38.963158
"742001"	981.700258	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+K"	38.963158
"1544419"	353.208858	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+K"	38.963158
"307425"	334.230917	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+H+K"	39.970434
"699844"	491.353767	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+H+K"	39.970434
"1450382"	177.108067	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H+K"	39.970434
"241178"	670.525226	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+ACN+H"	42.033826
"1212794"	356.279526	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+ACN+H"	42.033826
"1197042"	178.643401	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+ACN+2H"	43.041102
"189912"	673.46256	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+2Na-H"	44.97116
"629345"	987.70826	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+2Na-H"	44.97116
"1133097"	359.21686	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2Na-H"	44.97116
"179183"	337.234918	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+2Na"	45.978436
"619838"	494.357768	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+2Na"	45.978436
"1122250"	180.112068	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2Na"	45.978436
"1407961"	120.410470666667	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H+2Na"	46.985712
"1441544"	361.258446	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H+HCOOH"	47.012746
"234157"	342.26794	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+3H2O+2H"	56.04448
"1515657"	375.31049	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+IsoProp+H"	61.06479
"420446"	345.221888	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+Na+K"	61.952376
"777431"	502.344738	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+Na+K"	61.952376
"1677042"	188.099038	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Na+K"	61.952376
"257003"	692.507168	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+ACN+Na"	64.015768
"1229710"	378.261468	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+ACN+Na"	64.015768
"1718597"	378.284993	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+NH4+HCOOH"	64.039293
"1183954"	127.737784666667	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+3Na"	68.967654
"1660410"	383.240388	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Na+HCOOH"	68.994688
"167272"	705.41044	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+2K-H"	76.91904
"606834"	1019.65614	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+2K-H"	76.91904
"1095720"	391.16474	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2K-H"	76.91904
"148159"	353.208858	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"2M+2K"	77.926316
"588813"	510.331708	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"3M+2K"	77.926316
"1077701"	196.086008	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2K"	77.926316
"1104349"	393.179292	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2K+H"	78.933592
"1346203"	393.266907	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+DMSO+H"	79.021207
"1013639"	397.306076	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2ACN+H"	83.060376
"1530670"	398.299708	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+IsoProp+Na+H"	84.054008
"994931"	199.156676	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+2ACN+2H"	84.067652
"1589434"	399.214328	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+K+HCOOH"	84.968628
"1429196"	429.245838	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+H+CF3COOH"	115.000138
"1161915"	219.669951	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+3ACN+2H"	125.094202
"1711343"	446.272385	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+NH4+CF3COOH"	132.026685
"1646631"	451.22778	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+Na+CF3COOH"	136.98208
"1583737"	467.20172	"C20702"	"(8E10S)-10-Hydroperoxyoctadeca-8-enoate;(8E10S)-10-Hydroperoxy-8-octadecenoate"	"C18H34O4"	"314.2457"	"M+K+CF3COOH"	152.95602
"807543"	312.2301	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M"	0
"981075"	293.21171	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-H2O-H"	-19.01839
"73691"	207.146124	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M-3H"	-3.021828
"506693"	311.222824	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M-3H"	-3.021828
"886684"	103.069424	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-3H"	-3.021828
"5258"	311.222824	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M-2H"	-2.014552
"441053"	467.337874	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M-2H"	-2.014552
"820797"	155.107774	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-2H"	-2.014552
"80668"	623.452924	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M-H"	-1.007276
"521076"	935.683024	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M-H"	-1.007276
"898878"	311.222824	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-H"	-1.007276
"51069"	640.479471	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+NH4"	16.019271
"495003"	952.709571	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+NH4"	16.019271
"876085"	328.249371	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-2H+NH4"	16.019271
"40707"	645.434866	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+Na"	20.974666
"472980"	957.664966	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+Na"	20.974666
"854794"	333.204766	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-2H+Na"	20.974666
"1620074"	333.204766	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Na-2H"	20.974666
"96480"	329.211163	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M-H+Cl"	33.962126
"543337"	485.326213	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M-H+Cl"	33.962126
"942767"	173.096113	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-H+Cl"	33.962126
"282672"	659.429602	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+Cl"	34.969402
"675127"	971.659702	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+Cl"	34.969402
"1288376"	347.199502	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Cl"	34.969402
"30940"	661.408806	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M-2H+K"	36.948606
"470380"	973.638906	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M-2H+K"	36.948606
"847778"	349.178706	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-2H+K"	36.948606
"1568386"	349.178706	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+K-2H"	36.948606
"956272"	357.228294	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-H+HCOOH"	44.998194
"375215"	669.458401	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+HCOOH-H"	44.998201
"358367"	683.474051	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+Hac-H"	59.013851
"1500646"	371.243951	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Hac-H"	59.013851
"971100"	379.210251	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-H+NaCOOH"	66.980151
"120371"	347.199502	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+2Cl"	69.938804
"559928"	503.314552	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+2Cl"	69.938804
"1032008"	191.084452	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2Cl"	69.938804
"1248304"	391.148985	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Br"	78.918885
"1315861"	393.204972	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+HCOOH"	80.974872
"1333723"	415.186929	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+NaCOOH"	102.956829
"926604"	425.215686	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M-H+CF3COOH"	112.985586
"1296023"	461.192364	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Cl+CF3COOH"	148.962264
"1380382"	277.217424	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H-2H2O"	-35.012676
"1394963"	295.2274	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H-H2O"	-17.0027
"284076"	625.467476	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+H"	1.007276
"679415"	937.697576	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+H"	1.007276
"1362332"	313.237376	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H"	1.007276
"134125"	313.237376	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+2H"	2.014552
"578064"	469.352426	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+2H"	2.014552
"1041034"	157.122326	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2H"	2.014552
"206017"	209.160676	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+3H"	3.021828
"651775"	313.237376	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+3H"	3.021828
"1172455"	105.083976	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+3H"	3.021828
"437913"	642.494023	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+NH4"	18.033823
"796723"	954.724123	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+NH4"	18.033823
"1688680"	330.263923	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+NH4"	18.033823
"340236"	321.7506495	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+H+NH4"	19.041099
"732657"	477.8656995	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+H+NH4"	19.041099
"1488664"	165.6355995	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H+NH4"	19.041099
"405154"	647.449418	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+Na"	22.989218
"761777"	959.679518	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+Na"	22.989218
"1613158"	335.219318	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Na"	22.989218
"316635"	324.228347	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+H+Na"	23.996494
"710148"	480.343397	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+H+Na"	23.996494
"1467249"	168.113297	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H+Na"	23.996494
"1059400"	112.41129	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2H+Na"	25.00377
"1266548"	345.263586	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+CH3OH+H"	33.033486
"386219"	663.423358	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+K"	38.963158
"739925"	975.653458	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+K"	38.963158
"1542708"	351.193258	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+K"	38.963158
"307535"	332.215317	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+H+K"	39.970434
"698861"	488.330367	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+H+K"	39.970434
"1451585"	176.100267	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H+K"	39.970434
"237037"	666.494026	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+H"	42.033826
"1213997"	354.263926	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+H"	42.033826
"1198975"	177.635601	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+2H"	43.041102
"191845"	669.43136	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na-H"	44.97116
"630433"	981.66146	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na-H"	44.97116
"1135639"	357.20126	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2Na-H"	44.97116
"182574"	335.219318	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+2Na"	45.978436
"619948"	491.334368	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+2Na"	45.978436
"1123454"	179.104268	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2Na"	45.978436
"1409165"	119.738604	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H+2Na"	46.985712
"1440925"	359.242846	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H+HCOOH"	47.012746
"233172"	340.25234	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+3H2O+2H"	56.04448
"1516496"	373.29489	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+H"	61.06479
"418733"	343.206288	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+Na+K"	61.952376
"777541"	499.321338	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+Na+K"	61.952376
"1677152"	187.091238	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Na+K"	61.952376
"257113"	688.475968	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+ACN+Na"	64.015768
"1227633"	376.245868	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+ACN+Na"	64.015768
"1718707"	376.269393	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+HCOOH"	64.039293
"1184063"	127.065918	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+3Na"	68.967654
"1661614"	381.224788	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Na+HCOOH"	68.994688
"168475"	701.37924	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+2K-H"	76.91904
"604756"	1013.60934	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+2K-H"	76.91904
"1095466"	389.14914	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2K-H"	76.91904
"148269"	351.193258	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"2M+2K"	77.926316
"592204"	507.308308	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"3M+2K"	77.926316
"1078904"	195.078208	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2K"	77.926316
"1105552"	391.163692	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2K+H"	78.933592
"1345949"	391.251307	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+DMSO+H"	79.021207
"1011562"	395.290476	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+H"	83.060376
"1528593"	396.284108	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+IsoProp+Na+H"	84.054008
"997228"	198.148876	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+2ACN+2H"	84.067652
"1589544"	397.198728	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+K+HCOOH"	84.968628
"1429187"	427.230238	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+H+CF3COOH"	115.000138
"1162147"	218.662151	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+3ACN+2H"	125.094202
"1711089"	444.256785	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+NH4+CF3COOH"	132.026685
"1647105"	449.21218	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+Na+CF3COOH"	136.98208
"1583847"	465.18612	"C20703"	"(8E10S12Z)-10-Hydroperoxyoctadeca-812-dienoate"	"C18H32O4"	"312.2301"	"M+K+CF3COOH"	152.95602
"807653"	310.2144	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M"	0
"982278"	291.19601	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-H2O-H"	-19.01839
"73801"	205.802324	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M-3H"	-3.021828
"512274"	309.207124	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M-3H"	-3.021828
"890076"	102.397524	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-3H"	-3.021828
"4275"	309.207124	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H"	-2.014552
"449304"	464.314324	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H"	-2.014552
"818359"	154.099924	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-2H"	-2.014552
"86005"	619.421524	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M-H"	-1.007276
"521190"	929.635924	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M-H"	-1.007276
"900083"	309.207124	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-H"	-1.007276
"52272"	636.448071	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+NH4"	16.019271
"495114"	946.662471	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+NH4"	16.019271
"875102"	326.233671	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+NH4"	16.019271
"41913"	641.403466	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+Na"	20.974666
"472727"	951.617866	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+Na"	20.974666
"852717"	331.189066	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+Na"	20.974666
"1622251"	331.189066	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Na-2H"	20.974666
"98778"	327.195463	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M-H+Cl"	33.962126
"543811"	482.302663	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M-H+Cl"	33.962126
"942203"	172.088263	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-H+Cl"	33.962126
"282703"	655.398202	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+Cl"	34.969402
"675640"	965.612602	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+Cl"	34.969402
"1288220"	345.183802	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl"	34.969402
"31018"	657.377406	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M-2H+K"	36.948606
"471144"	967.591806	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M-2H+K"	36.948606
"848136"	347.163006	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-2H+K"	36.948606
"1571052"	347.163006	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+K-2H"	36.948606
"957112"	355.212594	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-H+HCOOH"	44.998194
"375690"	665.427001	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+HCOOH-H"	44.998201
"357384"	679.442651	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+Hac-H"	59.013851
"1502943"	369.228251	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Hac-H"	59.013851
"969753"	377.194551	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-H+NaCOOH"	66.980151
"120482"	345.183802	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Cl"	69.938804
"560038"	500.291002	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Cl"	69.938804
"1031025"	190.076602	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2Cl"	69.938804
"1244405"	389.133285	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Br"	78.918885
"1315241"	391.189272	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+HCOOH"	80.974872
"1331645"	413.171229	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+NaCOOH"	102.956829
"924891"	423.199986	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M-H+CF3COOH"	112.985586
"1296133"	459.176664	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Cl+CF3COOH"	148.962264
"1378669"	275.201724	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H-2H2O"	-35.012676
"1395073"	293.2117	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H-H2O"	-17.0027
"284187"	621.436076	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+H"	1.007276
"679525"	931.650476	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+H"	1.007276
"1366814"	311.221676	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H"	1.007276
"134235"	311.221676	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+2H"	2.014552
"580239"	466.328876	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+2H"	2.014552
"1044060"	156.114476	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2H"	2.014552
"209774"	207.816876	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+3H"	3.021828
"653343"	311.221676	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+3H"	3.021828
"1171470"	104.412076	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+3H"	3.021828
"430734"	638.462623	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+NH4"	18.033823
"789177"	948.677023	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+NH4"	18.033823
"1688790"	328.248223	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4"	18.033823
"342534"	319.7349495	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+NH4"	19.041099
"732768"	474.8421495	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+NH4"	19.041099
"1487683"	164.6277495	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H+NH4"	19.041099
"399799"	643.418018	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+Na"	22.989218
"761888"	953.632418	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+Na"	22.989218
"1611080"	333.203618	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Na"	22.989218
"317840"	322.212647	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+Na"	23.996494
"708801"	477.319847	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+Na"	23.996494
"1462985"	167.105447	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H+Na"	23.996494
"1053800"	111.73939	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2H+Na"	25.00377
"1259371"	343.247886	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+CH3OH+H"	33.033486
"377945"	659.391958	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+K"	38.963158
"740398"	969.606358	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+K"	38.963158
"1542087"	349.177558	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+K"	38.963158
"304368"	330.199617	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+H+K"	39.970434
"698971"	485.306817	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+H+K"	39.970434
"1447686"	175.092417	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H+K"	39.970434
"242492"	662.462626	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+ACN+H"	42.033826
"1211915"	352.248226	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+H"	42.033826
"1202365"	176.627751	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+2H"	43.041102
"201436"	665.39996	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Na-H"	44.97116
"635891"	975.61436	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Na-H"	44.97116
"1142677"	355.18556	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2Na-H"	44.97116
"179406"	333.203618	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+2Na"	45.978436
"619694"	488.310818	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+2Na"	45.978436
"1123564"	178.096418	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2Na"	45.978436
"1409275"	119.066704	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H+2Na"	46.985712
"1441035"	357.227146	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H+HCOOH"	47.012746
"232188"	338.23664	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+3H2O+2H"	56.04448
"1522804"	371.27919	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+H"	61.06479
"418845"	341.190588	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+Na+K"	61.952376
"782391"	496.297788	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+Na+K"	61.952376
"1672889"	186.083388	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+K"	61.952376
"255037"	684.444568	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+ACN+Na"	64.015768
"1233211"	374.230168	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+ACN+Na"	64.015768
"1721006"	374.253693	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4+HCOOH"	64.039293
"1188551"	126.394018	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+3Na"	68.967654
"1662817"	379.209088	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+HCOOH"	68.994688
"168586"	697.34784	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+2K-H"	76.91904
"606690"	1007.56224	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+2K-H"	76.91904
"1096671"	387.13344	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2K-H"	76.91904
"152393"	349.177558	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"2M+2K"	77.926316
"593411"	504.284758	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"3M+2K"	77.926316
"1077923"	194.070358	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2K"	77.926316
"1105663"	389.147992	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2K+H"	78.933592
"1346423"	389.235607	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+DMSO+H"	79.021207
"1012765"	393.274776	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2ACN+H"	83.060376
"1529796"	394.268408	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+IsoProp+Na+H"	84.054008
"999524"	197.141026	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+2ACN+2H"	84.067652
"1589654"	395.183028	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+K+HCOOH"	84.968628
"1428079"	425.214538	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+H+CF3COOH"	115.000138
"1162620"	217.654301	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+3ACN+2H"	125.094202
"1710470"	442.241085	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+NH4+CF3COOH"	132.026685
"1647944"	447.19648	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+Na+CF3COOH"	136.98208
"1583957"	463.17042	"C20704"	"(8E10S12Z15Z)-10-Hydroperoxyoctadeca-81215-trienoate"	"C18H30O4"	"310.2144"	"M+K+CF3COOH"	152.95602
"807763"	527.185	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M"	0
"981295"	508.16661	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-H2O-H"	-19.01839
"71723"	350.449390666667	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M-3H"	-3.021828
"504723"	526.177724	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M-3H"	-3.021828
"882527"	174.721057333333	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-3H"	-3.021828
"4745"	526.177724	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M-2H"	-2.014552
"448314"	789.770224	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M-2H"	-2.014552
"825022"	262.585224	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-2H"	-2.014552
"82829"	1053.362724	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M-H"	-1.007276
"527856"	1580.547724	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M-H"	-1.007276
"905658"	526.177724	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-H"	-1.007276
"50191"	1070.389271	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M-2H+NH4"	16.019271
"493031"	1597.574271	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M-2H+NH4"	16.019271
"864877"	543.204271	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-2H+NH4"	16.019271
"42387"	1075.344666	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M-2H+Na"	20.974666
"477208"	1602.529666	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M-2H+Na"	20.974666
"852827"	548.159666	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-2H+Na"	20.974666
"1625642"	548.159666	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Na-2H"	20.974666
"96701"	544.166063	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M-H+Cl"	33.962126
"543921"	807.758563	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M-H+Cl"	33.962126
"942601"	280.573563	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-H+Cl"	33.962126
"282448"	1089.339402	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+Cl"	34.969402
"675587"	1616.524402	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+Cl"	34.969402
"1288211"	562.154402	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Cl"	34.969402
"31045"	1091.318606	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M-2H+K"	36.948606
"468047"	1618.503606	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M-2H+K"	36.948606
"846213"	564.133606	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-2H+K"	36.948606
"1570431"	564.133606	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+K-2H"	36.948606
"956859"	572.183194	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-H+HCOOH"	44.998194
"372520"	1099.368201	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+HCOOH-H"	44.998201
"360408"	1113.383851	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+Hac-H"	59.013851
"1501959"	586.198851	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Hac-H"	59.013851
"968405"	594.165151	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-H+NaCOOH"	66.980151
"122777"	562.154402	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+2Cl"	69.938804
"560148"	825.746902	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+2Cl"	69.938804
"1026760"	298.561902	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2Cl"	69.938804
"1247065"	606.103885	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Br"	78.918885
"1315351"	608.159872	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Cl+HCOOH"	80.974872
"1332849"	630.141829	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Cl+NaCOOH"	102.956829
"926096"	640.170586	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M-H+CF3COOH"	112.985586
"1296243"	676.147264	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Cl+CF3COOH"	148.962264
"1378779"	492.172324	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H-2H2O"	-35.012676
"1395182"	510.1823	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H-H2O"	-17.0027
"287213"	1055.377276	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+H"	1.007276
"679635"	1582.562276	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+H"	1.007276
"1363645"	528.192276	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H"	1.007276
"133252"	528.192276	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+2H"	2.014552
"576095"	791.784776	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+2H"	2.014552
"1044898"	264.599776	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2H"	2.014552
"209519"	352.463942666667	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+3H"	3.021828
"652359"	528.192276	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+3H"	3.021828
"1168299"	176.735609333333	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+3H"	3.021828
"433760"	1072.403823	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+NH4"	18.033823
"788559"	1599.588823	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+NH4"	18.033823
"1688900"	545.218823	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+NH4"	18.033823
"340457"	536.7055495	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+H+NH4"	19.041099
"732878"	800.2980495	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+H+NH4"	19.041099
"1479045"	273.1130495	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H+NH4"	19.041099
"399909"	1077.359218	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+Na"	22.989218
"761998"	1604.544218	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+Na"	22.989218
"1611191"	550.174218	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Na"	22.989218
"323417"	539.183247	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+H+Na"	23.996494
"713652"	802.775747	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+H+Na"	23.996494
"1464193"	275.590747	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H+Na"	23.996494
"1053182"	184.062923333333	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2H+Na"	25.00377
"1262397"	560.218486	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+CH3OH+H"	33.033486
"377690"	1093.333158	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+K"	38.963158
"740872"	1620.518158	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+K"	38.963158
"1546209"	566.148158	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+K"	38.963158
"304478"	547.170217	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+H+K"	39.970434
"699081"	810.762717	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+H+K"	39.970434
"1446338"	283.577717	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H+K"	39.970434
"241508"	1096.403826	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+ACN+H"	42.033826
"1211418"	569.218826	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+ACN+H"	42.033826
"1194358"	285.113051	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+ACN+2H"	43.041102
"193159"	1099.34116	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+2Na-H"	44.97116
"640011"	1626.52616	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+2Na-H"	44.97116
"1142788"	572.15616	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2Na-H"	44.97116
"178424"	550.174218	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+2Na"	45.978436
"616889"	813.766718	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+2Na"	45.978436
"1123674"	286.581718	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2Na"	45.978436
"1403918"	191.390237333333	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H+2Na"	46.985712
"1441509"	574.197746	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H+HCOOH"	47.012746
"230110"	555.20724	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+3H2O+2H"	56.04448
"1523279"	588.24979	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+IsoProp+H"	61.06479
"419685"	558.161188	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+Na+K"	61.952376
"782501"	821.753688	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+Na+K"	61.952376
"1672999"	294.568688	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Na+K"	61.952376
"256241"	1118.385768	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+ACN+Na"	64.015768
"1232228"	591.200768	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+ACN+Na"	64.015768
"1721116"	591.224293	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+NH4+HCOOH"	64.039293
"1188661"	198.717551333333	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+3Na"	68.967654
"1660741"	596.179688	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Na+HCOOH"	68.994688
"168697"	1131.28904	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+2K-H"	76.91904
"607166"	1658.47404	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+2K-H"	76.91904
"1097147"	604.10404	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2K-H"	76.91904
"155057"	566.148158	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"2M+2K"	77.926316
"593888"	829.740658	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"3M+2K"	77.926316
"1079126"	302.555658	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2K"	77.926316
"1109053"	606.118592	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2K+H"	78.933592
"1344346"	606.206207	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+DMSO+H"	79.021207
"1012875"	610.245376	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2ACN+H"	83.060376
"1532092"	611.239008	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+IsoProp+Na+H"	84.054008
"1000727"	305.626326	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+2ACN+2H"	84.067652
"1589764"	612.153628	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+K+HCOOH"	84.968628
"1429283"	642.185138	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+H+CF3COOH"	115.000138
"1162122"	326.139601	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+3ACN+2H"	125.094202
"1711673"	659.211685	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+NH4+CF3COOH"	132.026685
"1647326"	664.16708	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+Na+CF3COOH"	136.98208
"1584067"	680.14102	"C20705"	"4-O-(beta-L-Arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl-(1-2)-beta-L-arabinofuranosyl)-(2S4S)-4-hydroxyproline;(Ara-f)3-Hyp"	"C20H33NO15"	"527.185"	"M+K+CF3COOH"	152.95602
"807873"	263.1005	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M"	0
"976301"	244.08211	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-H2O-H"	-19.01839
"70740"	174.393057333333	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M-3H"	-3.021828
"505926"	262.093224	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M-3H"	-3.021828
"884822"	86.6928906666667	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-3H"	-3.021828
"6677"	262.093224	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M-2H"	-2.014552
"445144"	393.643474	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M-2H"	-2.014552
"824039"	130.542974	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-2H"	-2.014552
"84032"	525.193724	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M-H"	-1.007276
"527965"	788.294224	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M-H"	-1.007276
"903581"	262.093224	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-H"	-1.007276
"51394"	542.220271	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M-2H+NH4"	16.019271
"494234"	805.320771	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M-2H+NH4"	16.019271
"865714"	279.119771	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-2H+NH4"	16.019271
"32525"	547.175666	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M-2H+Na"	20.974666
"483150"	810.276166	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M-2H+Na"	20.974666
"858398"	284.075166	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-2H+Na"	20.974666
"1619307"	284.075166	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Na-2H"	20.974666
"102273"	280.081563	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M-H+Cl"	33.962126
"536367"	411.631813	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M-H+Cl"	33.962126
"939736"	148.531313	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-H+Cl"	33.962126
"281209"	561.170402	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+Cl"	34.969402
"674851"	824.270902	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+Cl"	34.969402
"1287625"	298.069902	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Cl"	34.969402
"30787"	563.149606	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M-2H+K"	36.948606
"469979"	826.250106	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M-2H+K"	36.948606
"845956"	300.049106	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-2H+K"	36.948606
"1570419"	300.049106	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+K-2H"	36.948606
"956604"	308.098694	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-H+HCOOH"	44.998194
"375423"	571.199201	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+HCOOH-H"	44.998201
"358331"	585.214851	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+Hac-H"	59.013851
"1500976"	322.114351	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Hac-H"	59.013851
"969609"	330.080651	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-H+NaCOOH"	66.980151
"124223"	298.069902	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+2Cl"	69.938804
"559894"	429.620152	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+2Cl"	69.938804
"1027962"	166.519652	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2Cl"	69.938804
"1247540"	342.019385	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Br"	78.918885
"1316190"	344.075372	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Cl+HCOOH"	80.974872
"1334782"	366.057329	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Cl+NaCOOH"	102.956829
"925962"	376.086086	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M-H+CF3COOH"	112.985586
"1296353"	412.062764	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Cl+CF3COOH"	148.962264
"1378889"	228.087824	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H-2H2O"	-35.012676
"1395292"	246.0978	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H-H2O"	-17.0027
"284164"	527.208276	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+H"	1.007276
"679745"	790.308776	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+H"	1.007276
"1361569"	264.107776	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H"	1.007276
"134455"	264.107776	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+2H"	2.014552
"574018"	395.658026	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+2H"	2.014552
"1039905"	132.557526	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2H"	2.014552
"209629"	176.407609333333	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+3H"	3.021828
"654656"	264.107776	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+3H"	3.021828
"1165492"	88.7074426666667	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+3H"	3.021828
"431682"	544.234823	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+NH4"	18.033823
"787210"	807.335323	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+NH4"	18.033823
"1683906"	281.134323	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+NH4"	18.033823
"339472"	272.6210495	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+H+NH4"	19.041099
"730801"	404.1712995	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+H+NH4"	19.041099
"1479155"	141.0707995	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H+NH4"	19.041099
"400019"	549.190218	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+Na"	22.989218
"762108"	812.290718	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+Na"	22.989218
"1610208"	286.089718	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Na"	22.989218
"321340"	275.098747	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+H+Na"	23.996494
"711573"	406.648997	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+H+Na"	23.996494
"1466488"	143.548497	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H+Na"	23.996494
"1055359"	96.0347566666667	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2H+Na"	25.00377
"1261413"	296.133986	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+CH3OH+H"	33.033486
"382174"	565.164158	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+K"	38.963158
"743169"	828.264658	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+K"	38.963158
"1550328"	302.063658	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+K"	38.963158
"308960"	283.085717	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+H+K"	39.970434
"700284"	414.635967	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+H+K"	39.970434
"1448635"	151.535467	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H+K"	39.970434
"241618"	568.234826	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+ACN+H"	42.033826
"1212864"	305.134326	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+ACN+H"	42.033826
"1195165"	153.070801	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+ACN+2H"	43.041102
"193269"	571.17216	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+2Na-H"	44.97116
"633191"	834.27266	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+2Na-H"	44.97116
"1135970"	308.07166	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2Na-H"	44.97116
"181814"	286.089718	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+2Na"	45.978436
"617727"	417.639968	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+2Na"	45.978436
"1126336"	154.539468	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2Na"	45.978436
"1404028"	103.362070666667	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H+2Na"	46.985712
"1443441"	310.113246	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H+HCOOH"	47.012746
"233865"	291.12274	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+3H2O+2H"	56.04448
"1521931"	324.16529	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+IsoProp+H"	61.06479
"417972"	294.076688	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+Na+K"	61.952376
"784070"	425.626938	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+Na+K"	61.952376
"1676389"	162.526438	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Na+K"	61.952376
"257444"	590.216768	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+ACN+Na"	64.015768
"1234525"	327.116268	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+ACN+Na"	64.015768
"1721226"	327.139793	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+NH4+HCOOH"	64.039293
"1186585"	110.689384666667	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+3Na"	68.967654
"1659029"	332.095188	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Na+HCOOH"	68.994688
"164434"	603.12004	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+2K-H"	76.91904
"603995"	866.22054	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+2K-H"	76.91904
"1095070"	340.01954	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2K-H"	76.91904
"153345"	302.063658	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"2M+2K"	77.926316
"591446"	433.613908	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"3M+2K"	77.926316
"1077780"	170.513408	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2K"	77.926316
"1105883"	342.034092	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2K+H"	78.933592
"1344456"	342.121707	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+DMSO+H"	79.021207
"1012985"	346.160876	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2ACN+H"	83.060376
"1531109"	347.154508	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+IsoProp+Na+H"	84.054008
"1000837"	173.584076	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+2ACN+2H"	84.067652
"1588171"	348.069128	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+K+HCOOH"	84.968628
"1427934"	378.100638	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+H+CF3COOH"	115.000138
"1162476"	194.097351	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+3ACN+2H"	125.094202
"1711784"	395.127185	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+NH4+CF3COOH"	132.026685
"1647436"	400.08258	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+Na+CF3COOH"	136.98208
"1584177"	416.05652	"C20706"	"4-O-(beta-L-Arabinofuranosyl)-(2S4S)-4-hydroxyproline"	"C10H17NO7"	"263.1005"	"M+K+CF3COOH"	152.95602
"807983"	1062.5247	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M"	0
"975682"	1043.50631	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-H2O-H"	-19.01839
"70850"	707.342524	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M-3H"	-3.021828
"504214"	1061.517424	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M-3H"	-3.021828
"883840"	353.167624	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-3H"	-3.021828
"6788"	1061.517424	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M-2H"	-2.014552
"447441"	1592.779774	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M-2H"	-2.014552
"824149"	530.255074	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-2H"	-2.014552
"83049"	2124.042124	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M-H"	-1.007276
"523702"	3186.566824	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M-H"	-1.007276
"902598"	1061.517424	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-H"	-1.007276
"50775"	2141.068671	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M-2H+NH4"	16.019271
"493251"	3203.593371	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M-2H+NH4"	16.019271
"864855"	1078.543971	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-2H+NH4"	16.019271
"32757"	2146.024066	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M-2H+Na"	20.974666
"484717"	3208.548766	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M-2H+Na"	20.974666
"857414"	1083.499366	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-2H+Na"	20.974666
"1624762"	1083.499366	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Na-2H"	20.974666
"101290"	1079.505763	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M-H+Cl"	33.962126
"536478"	1610.768113	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M-H+Cl"	33.962126
"937659"	548.243413	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-H+Cl"	33.962126
"279495"	2160.018802	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+Cl"	34.969402
"673375"	3222.543502	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+Cl"	34.969402
"1283221"	1097.494102	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Cl"	34.969402
"29065"	2161.998006	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M-2H+K"	36.948606
"463155"	3224.522706	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M-2H+K"	36.948606
"840957"	1099.473306	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-2H+K"	36.948606
"1570284"	1099.473306	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+K-2H"	36.948606
"955247"	1107.522894	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-H+HCOOH"	44.998194
"374925"	2170.047601	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+HCOOH-H"	44.998201
"356254"	2184.063251	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+Hac-H"	59.013851
"1506546"	1121.538551	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Hac-H"	59.013851
"972270"	1129.504851	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-H+NaCOOH"	66.980151
"122995"	1097.494102	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+2Cl"	69.938804
"554900"	1628.756452	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+2Cl"	69.938804
"1026978"	566.231752	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2Cl"	69.938804
"1247646"	1141.443585	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Br"	78.918885
"1316664"	1143.499572	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Cl+HCOOH"	80.974872
"1329788"	1165.481529	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Cl+NaCOOH"	102.956829
"925950"	1175.510286	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M-H+CF3COOH"	112.985586
"1296463"	1211.486964	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Cl+CF3COOH"	148.962264
"1382118"	1027.512024	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H-2H2O"	-35.012676
"1397590"	1045.522	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H-H2O"	-17.0027
"286704"	2126.056676	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+H"	1.007276
"679855"	3188.581376	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+H"	1.007276
"1362772"	1063.531976	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H"	1.007276
"135659"	1063.531976	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+2H"	2.014552
"576316"	1594.794326	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+2H"	2.014552
"1039651"	532.269626	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2H"	2.014552
"205364"	709.357076	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+3H"	3.021828
"651485"	1063.531976	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+3H"	3.021828
"1164263"	355.182176	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+3H"	3.021828
"428510"	2143.083223	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+NH4"	18.033823
"792788"	3205.607923	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+NH4"	18.033823
"1689119"	1080.558523	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+NH4"	18.033823
"335208"	1072.0452495	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+H+NH4"	19.041099
"733097"	1603.3075995	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+H+NH4"	19.041099
"1484728"	540.7828995	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H+NH4"	19.041099
"401219"	2148.038618	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+Na"	22.989218
"758937"	3210.563318	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+Na"	22.989218
"1605942"	1085.513918	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Na"	22.989218
"320353"	1074.522947	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+H+Na"	23.996494
"710591"	1605.785297	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+H+Na"	23.996494
"1465504"	543.260597	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H+Na"	23.996494
"1057656"	362.50949	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2H+Na"	25.00377
"1262615"	1095.558186	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+CH3OH+H"	33.033486
"383375"	2164.012558	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+K"	38.963158
"744372"	3226.537258	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+K"	38.963158
"1546422"	1101.487858	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+K"	38.963158
"303598"	1082.509917	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+H+K"	39.970434
"692130"	1613.772267	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+H+K"	39.970434
"1446558"	551.247567	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H+K"	39.970434
"240632"	2167.083226	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+ACN+H"	42.033826
"1212245"	1104.558526	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+ACN+H"	42.033826
"1195154"	552.782901	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+ACN+2H"	43.041102
"188992"	2170.02056	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+2Na-H"	44.97116
"635486"	3232.54526	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+2Na-H"	44.97116
"1136441"	1107.49586	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2Na-H"	44.97116
"181924"	1085.513918	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+2Na"	45.978436
"618565"	1616.776268	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+2Na"	45.978436
"1123894"	554.251568	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2Na"	45.978436
"1403408"	369.836804	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H+2Na"	46.985712
"1443551"	1109.537446	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H+HCOOH"	47.012746
"234584"	1090.54694	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+3H2O+2H"	56.04448
"1520582"	1123.58949	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+IsoProp+H"	61.06479
"420634"	1093.500888	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+Na+K"	61.952376
"783451"	1624.763238	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+Na+K"	61.952376
"1676499"	562.238538	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Na+K"	61.952376
"256460"	2189.065168	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+ACN+Na"	64.015768
"1234635"	1126.540468	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+ACN+Na"	64.015768
"1723522"	1126.563993	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+NH4+HCOOH"	64.039293
"1186697"	377.164118	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+3Na"	68.967654
"1658775"	1131.519388	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Na+HCOOH"	68.994688
"165635"	2201.96844	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+2K-H"	76.91904
"605199"	3264.49314	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+2K-H"	76.91904
"1093721"	1139.44374	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2K-H"	76.91904
"151997"	1101.487858	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"2M+2K"	77.926316
"591190"	1632.750208	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"3M+2K"	77.926316
"1078983"	570.225508	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2K"	77.926316
"1105993"	1141.458292	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2K+H"	78.933592
"1345659"	1141.545907	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+DMSO+H"	79.021207
"1013095"	1145.585076	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2ACN+H"	83.060376
"1531219"	1146.578708	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+IsoProp+Na+H"	84.054008
"998760"	573.296176	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+2ACN+2H"	84.067652
"1587918"	1147.493328	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+K+HCOOH"	84.968628
"1427680"	1177.524838	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+H+CF3COOH"	115.000138
"1162546"	593.809451	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+3ACN+2H"	125.094202
"1711774"	1194.551385	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+NH4+CF3COOH"	132.026685
"1647546"	1199.50678	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+Na+CF3COOH"	136.98208
"1584287"	1215.48072	"C20707"	"26-Desgluco-avenacoside B"	"C51H82O23"	"1062.5247"	"M+K+CF3COOH"	152.95602
"808093"	327.0882	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M"	0
"978708"	308.06981	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-H2O-H"	-19.01839
"72053"	217.051524	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M-3H"	-3.021828
"505054"	326.080924	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M-3H"	-3.021828
"882856"	108.022124	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-3H"	-3.021828
"1795"	326.080924	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M-2H"	-2.014552
"447551"	489.625024	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M-2H"	-2.014552
"819885"	162.536824	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-2H"	-2.014552
"84253"	653.169124	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M-H"	-1.007276
"524906"	980.257324	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M-H"	-1.007276
"902708"	326.080924	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-H"	-1.007276
"48335"	670.195671	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M-2H+NH4"	16.019271
"492268"	997.283871	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M-2H+NH4"	16.019271
"864355"	343.107471	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-2H+NH4"	16.019271
"31590"	675.151066	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M-2H+Na"	20.974666
"481911"	1002.239266	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M-2H+Na"	20.974666
"857525"	348.062866	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-2H+Na"	20.974666
"1624872"	348.062866	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Na-2H"	20.974666
"104679"	344.069263	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M-H+Cl"	33.962126
"537682"	507.613363	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M-H+Cl"	33.962126
"937769"	180.525163	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-H+Cl"	33.962126
"279604"	689.145802	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+Cl"	34.969402
"670931"	1016.234002	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+Cl"	34.969402
"1278960"	362.057602	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Cl"	34.969402
"28081"	691.125006	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M-2H+K"	36.948606
"465452"	1018.213206	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M-2H+K"	36.948606
"842159"	364.036806	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-2H+K"	36.948606
"1562369"	364.036806	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+K-2H"	36.948606
"946969"	372.086394	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-H+HCOOH"	44.998194
"374304"	699.174601	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+HCOOH-H"	44.998201
"358187"	713.190251	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+Hac-H"	59.013851
"1500821"	386.102051	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Hac-H"	59.013851
"970186"	394.068351	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-H+NaCOOH"	66.980151
"119824"	362.057602	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+2Cl"	69.938804
"557195"	525.601702	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+2Cl"	69.938804
"1028181"	198.513502	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2Cl"	69.938804
"1245572"	406.007085	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Br"	78.918885
"1306198"	408.063072	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Cl+HCOOH"	80.974872
"1320413"	430.045029	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Cl+NaCOOH"	102.956829
"916576"	440.073786	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M-H+CF3COOH"	112.985586
"1296570"	476.050464	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Cl+CF3COOH"	148.962264
"1370719"	292.075524	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H-2H2O"	-35.012676
"1384205"	310.0855	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H-H2O"	-17.0027
"285348"	655.183676	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+H"	1.007276
"677044"	982.271876	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+H"	1.007276
"1354129"	328.095476	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H"	1.007276
"132848"	328.095476	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+2H"	2.014552
"577517"	491.639576	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+2H"	2.014552
"1044128"	164.551376	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2H"	2.014552
"214221"	219.066076	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+3H"	3.021828
"654509"	328.095476	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+3H"	3.021828
"1170814"	110.036676	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+3H"	3.021828
"428616"	672.210223	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+NH4"	18.033823
"792896"	999.298423	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+NH4"	18.033823
"1689225"	345.122023	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+NH4"	18.033823
"337503"	336.6087495	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+H+NH4"	19.041099
"729924"	500.1528495	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+H+NH4"	19.041099
"1483744"	173.0646495	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H+NH4"	19.041099
"400236"	677.165618	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+Na"	22.989218
"759047"	1004.253818	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+Na"	22.989218
"1607145"	350.077418	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Na"	22.989218
"321556"	339.086447	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+H+Na"	23.996494
"711793"	502.630547	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+H+Na"	23.996494
"1463428"	175.542347	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H+Na"	23.996494
"1054608"	117.36399	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2H+Na"	25.00377
"1260540"	360.121686	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+CH3OH+H"	33.033486
"381300"	693.139558	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+K"	38.963158
"745574"	1020.227758	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+K"	38.963158
"1545439"	366.051358	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+K"	38.963158
"302615"	347.073417	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+H+K"	39.970434
"693576"	510.617517	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+H+K"	39.970434
"1447032"	183.529317	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H+K"	39.970434
"237454"	696.210226	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+ACN+H"	42.033826
"1211991"	369.122026	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+ACN+H"	42.033826
"1194405"	185.064651	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+ACN+2H"	43.041102
"189226"	699.14756	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+2Na-H"	44.97116
"634503"	1026.23576	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+2Na-H"	44.97116
"1136551"	372.05936	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2Na-H"	44.97116
"181665"	350.077418	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+2Na"	45.978436
"619766"	513.621518	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+2Na"	45.978436
"1124368"	186.533318	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2Na"	45.978436
"1408622"	124.691304	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H+2Na"	46.985712
"1440742"	374.100946	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H+HCOOH"	47.012746
"231531"	355.11044	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+3H2O+2H"	56.04448
"1520691"	388.15299	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+IsoProp+H"	61.06479
"417095"	358.064388	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+Na+K"	61.952376
"780277"	521.608488	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+Na+K"	61.952376
"1670413"	194.520288	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Na+K"	61.952376
"256203"	718.192168	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+ACN+Na"	64.015768
"1229276"	391.103968	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+ACN+Na"	64.015768
"1714881"	391.127493	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+NH4+HCOOH"	64.039293
"1187897"	132.018618	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+3Na"	68.967654
"1659977"	396.082888	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Na+HCOOH"	68.994688
"163557"	731.09544	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+2K-H"	76.91904
"607129"	1058.18364	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+2K-H"	76.91904
"1094922"	404.00724	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2K-H"	76.91904
"152103"	366.051358	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"2M+2K"	77.926316
"592392"	529.595458	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"3M+2K"	77.926316
"1077269"	202.507258	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2K"	77.926316
"1106103"	406.021792	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2K+H"	78.933592
"1345769"	406.109407	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+DMSO+H"	79.021207
"1015392"	410.148576	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2ACN+H"	83.060376
"1535704"	411.142208	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+IsoProp+Na+H"	84.054008
"1001058"	205.577926	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+2ACN+2H"	84.067652
"1587540"	412.056828	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+K+HCOOH"	84.968628
"1426694"	442.088338	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+H+CF3COOH"	115.000138
"1161358"	226.091201	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+3ACN+2H"	125.094202
"1712368"	459.114885	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+NH4+CF3COOH"	132.026685
"1648749"	464.07028	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+Na+CF3COOH"	136.98208
"1584397"	480.04422	"C20708"	"Robenacoxib"	"C16H13F4NO2"	"327.0882"	"M+K+CF3COOH"	152.95602
"811483"	576.3662	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M"	0
"981734"	557.34781	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-H2O-H"	-19.01839
"76537"	383.236857333333	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M-3H"	-3.021828
"506259"	575.358924	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M-3H"	-3.021828
"885153"	191.114790666667	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-3H"	-3.021828
"3728"	575.358924	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M-2H"	-2.014552
"446568"	863.542024	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M-2H"	-2.014552
"821089"	287.175824	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-2H"	-2.014552
"86550"	1151.725124	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M-H"	-1.007276
"528296"	1728.091324	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M-H"	-1.007276
"902818"	575.358924	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-H"	-1.007276
"48566"	1168.751671	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M-2H+NH4"	16.019271
"492378"	1745.117871	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M-2H+NH4"	16.019271
"864254"	592.385471	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-2H+NH4"	16.019271
"31496"	1173.707066	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M-2H+Na"	20.974666
"485667"	1750.073266	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M-2H+Na"	20.974666
"859458"	597.340866	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-2H+Na"	20.974666
"1628263"	597.340866	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Na-2H"	20.974666
"103697"	593.347263	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M-H+Cl"	33.962126
"536700"	881.530363	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M-H+Cl"	33.962126
"942254"	305.164163	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-H+Cl"	33.962126
"280809"	1187.701802	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+Cl"	34.969402
"672135"	1764.068002	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+Cl"	34.969402
"1279070"	611.335602	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Cl"	34.969402
"27097"	1189.681006	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M-2H+K"	36.948606
"464469"	1766.047206	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M-2H+K"	36.948606
"840083"	613.314806	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-2H+K"	36.948606
"1560293"	613.314806	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+K-2H"	36.948606
"948173"	621.364394	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-H+HCOOH"	44.998194
"372591"	1197.730601	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+HCOOH-H"	44.998201
"355381"	1211.746251	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+Hac-H"	59.013851
"1501295"	635.380051	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Hac-H"	59.013851
"968474"	643.346351	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-H+NaCOOH"	66.980151
"116653"	611.335602	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+2Cl"	69.938804
"556212"	899.518702	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+2Cl"	69.938804
"1027198"	323.152502	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2Cl"	69.938804
"1244588"	655.285085	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Br"	78.918885
"1308131"	657.341072	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Cl+HCOOH"	80.974872
"1320522"	679.323029	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Cl+NaCOOH"	102.956829
"913771"	689.351786	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M-H+CF3COOH"	112.985586
"1293400"	725.328464	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Cl+CF3COOH"	148.962264
"1371559"	541.353524	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H-2H2O"	-35.012676
"1383220"	559.3635	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H-H2O"	-17.0027
"283270"	1153.739676	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+H"	1.007276
"676061"	1730.105876	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+H"	1.007276
"1357519"	577.373476	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H"	1.007276
"133687"	577.373476	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+2H"	2.014552
"577628"	865.556576	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+2H"	2.014552
"1047519"	289.190376	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2H"	2.014552
"214332"	385.251409333333	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+3H"	3.021828
"656077"	577.373476	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+3H"	3.021828
"1168007"	193.129342666667	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+3H"	3.021828
"428726"	1170.766223	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+NH4"	18.033823
"790817"	1747.132423	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+NH4"	18.033823
"1683135"	594.400023	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+NH4"	18.033823
"338706"	585.8867495	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+H+NH4"	19.041099
"732221"	874.0698495	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+H+NH4"	19.041099
"1482761"	297.7036495	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H+NH4"	19.041099
"398159"	1175.721618	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+Na"	22.989218
"762438"	1752.087818	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+Na"	22.989218
"1607255"	599.355418	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Na"	22.989218
"326040"	588.364447	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+H+Na"	23.996494
"710808"	876.547547	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+H+Na"	23.996494
"1471190"	300.181347	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H+Na"	23.996494
"1061157"	200.456656666667	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2H+Na"	25.00377
"1262834"	609.399686	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+CH3OH+H"	33.033486
"380318"	1191.695558	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+K"	38.963158
"745684"	1768.061758	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+K"	38.963158
"1546642"	615.329358	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+K"	38.963158
"301631"	596.351417	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+H+K"	39.970434
"696237"	884.534517	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+H+K"	39.970434
"1448965"	308.168317	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H+K"	39.970434
"235985"	1194.766226	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+ACN+H"	42.033826
"1210636"	618.400026	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+ACN+H"	42.033826
"1194356"	309.703651	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+ACN+2H"	43.041102
"188559"	1197.70356	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+2Na-H"	44.97116
"636072"	1774.06976	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+2Na-H"	44.97116
"1136661"	621.33736	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2Na-H"	44.97116
"181047"	599.355418	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+2Na"	45.978436
"619148"	887.538518	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+2Na"	45.978436
"1125208"	311.172318	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2Na"	45.978436
"1410919"	207.783970666667	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H+2Na"	46.985712
"1434292"	623.378946	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H+HCOOH"	47.012746
"225079"	604.38844	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+3H2O+2H"	56.04448
"1521894"	637.43099	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+IsoProp+H"	61.06479
"416112"	607.342388	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+Na+K"	61.952376
"779294"	895.525488	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+Na+K"	61.952376
"1670523"	319.159288	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Na+K"	61.952376
"253397"	1216.748168	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+ACN+Na"	64.015768
"1227199"	640.381968	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+ACN+Na"	64.015768
"1713895"	640.405493	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+NH4+HCOOH"	64.039293
"1188373"	215.111284666667	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+3Na"	68.967654
"1657900"	645.360888	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Na+HCOOH"	68.994688
"164760"	1229.65144	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+2K-H"	76.91904
"606510"	1806.01764	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+2K-H"	76.91904
"1092116"	653.28524	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2K-H"	76.91904
"146746"	615.329358	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"2M+2K"	77.926316
"592502"	903.512458	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"3M+2K"	77.926316
"1074099"	327.146258	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2K"	77.926316
"1109129"	655.299792	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2K+H"	78.933592
"1340411"	655.387407	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+DMSO+H"	79.021207
"1013315"	659.426576	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2ACN+H"	83.060376
"1534719"	660.420208	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+IsoProp+Na+H"	84.054008
"998979"	330.216926	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+2ACN+2H"	84.067652
"1591297"	661.334828	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+K+HCOOH"	84.968628
"1424617"	691.366338	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+H+CF3COOH"	115.000138
"1161466"	350.730201	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+3ACN+2H"	125.094202
"1712114"	708.392885	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+NH4+CF3COOH"	132.026685
"1648495"	713.34828	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+Na+CF3COOH"	136.98208
"1584507"	729.32222	"C20709"	"Diosgenin 3-O-beta-D-glucopyranoside;(3beta25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside"	"C33H52O8"	"576.3662"	"M+K+CF3COOH"	152.95602
"810500"	156.0423	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M"	0
"978564"	137.02391	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-H2O-H"	-19.01839
"74460"	103.020924	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M-3H"	-3.021828
"504182"	155.035024	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M-3H"	-3.021828
"881983"	51.006824	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-3H"	-3.021828
"3838"	155.035024	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M-2H"	-2.014552
"444491"	233.056174	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M-2H"	-2.014552
"819012"	77.013874	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-2H"	-2.014552
"84473"	311.077324	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M-H"	-1.007276
"528406"	467.119624	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M-H"	-1.007276
"904022"	155.035024	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-H"	-1.007276
"48919"	328.103871	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M-2H+NH4"	16.019271
"492488"	484.146171	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M-2H+NH4"	16.019271
"865186"	172.061571	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-2H+NH4"	16.019271
"32844"	333.059266	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M-2H+Na"	20.974666
"482131"	489.101566	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M-2H+Na"	20.974666
"858838"	177.016966	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-2H+Na"	20.974666
"1630560"	177.016966	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Na-2H"	20.974666
"106359"	173.023363	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M-H+Cl"	33.962126
"536810"	251.044513	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M-H+Cl"	33.962126
"933613"	95.002213	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-H+Cl"	33.962126
"280190"	347.054002	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+Cl"	34.969402
"672245"	503.096302	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+Cl"	34.969402
"1279180"	191.011702	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Cl"	34.969402
"23926"	349.033206	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M-2H+K"	36.948606
"458017"	505.075506	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M-2H+K"	36.948606
"839099"	192.990906	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-2H+K"	36.948606
"1561495"	192.990906	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+K-2H"	36.948606
"951562"	201.040494	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-H+HCOOH"	44.998194
"368689"	357.082801	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+HCOOH-H"	44.998201
"355491"	371.098451	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+Hac-H"	59.013851
"1498125"	215.056151	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Hac-H"	59.013851
"966761"	223.022451	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-H+NaCOOH"	66.980151
"113482"	191.011702	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+2Cl"	69.938804
"553042"	269.032852	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+2Cl"	69.938804
"1022934"	112.990552	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2Cl"	69.938804
"1244698"	234.961185	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Br"	78.918885
"1304961"	237.017172	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Cl+HCOOH"	80.974872
"1322088"	258.999129	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Cl+NaCOOH"	102.956829
"913517"	269.027886	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M-H+CF3COOH"	112.985586
"1293510"	305.004564	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Cl+CF3COOH"	148.962264
"1371669"	121.029624	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H-2H2O"	-35.012676
"1383331"	139.0396	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H-H2O"	-17.0027
"286665"	313.091876	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+H"	1.007276
"677264"	469.134176	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+H"	1.007276
"1352029"	157.049576	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H"	1.007276
"132704"	157.049576	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+2H"	2.014552
"576644"	235.070726	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+2H"	2.014552
"1046534"	79.028426	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2H"	2.014552
"216263"	105.035476	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+3H"	3.021828
"655093"	157.049576	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+3H"	3.021828
"1168846"	53.021376	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+3H"	3.021828
"429931"	330.118423	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+NH4"	18.033823
"796394"	486.160723	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+NH4"	18.033823
"1683244"	174.076123	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+NH4"	18.033823
"336629"	165.5628495	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+H+NH4"	19.041099
"731237"	243.5839995	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+H+NH4"	19.041099
"1480682"	87.5416995	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H+NH4"	19.041099
"395715"	335.073818	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+Na"	22.989218
"764735"	491.116118	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+Na"	22.989218
"1608459"	179.031518	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Na"	22.989218
"323964"	168.040547	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+H+Na"	23.996494
"715294"	246.061697	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+H+Na"	23.996494
"1469114"	90.019397	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H+Na"	23.996494
"1057987"	60.34869	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2H+Na"	25.00377
"1267320"	189.075786	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+CH3OH+H"	33.033486
"385895"	351.047758	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+K"	38.963158
"744699"	507.090058	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+K"	38.963158
"1547846"	195.005458	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+K"	38.963158
"301741"	176.027517	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+H+K"	39.970434
"695254"	254.048667	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+H+K"	39.970434
"1446889"	98.006367	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H+K"	39.970434
"238770"	354.118426	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+ACN+H"	42.033826
"1212204"	198.076126	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+ACN+H"	42.033826
"1195359"	99.541701	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+ACN+2H"	43.041102
"188754"	357.05576	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+2Na-H"	44.97116
"635089"	513.09806	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+2Na-H"	44.97116
"1136771"	201.01346	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2Na-H"	44.97116
"182251"	179.031518	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+2Na"	45.978436
"618529"	257.052668	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+2Na"	45.978436
"1127141"	101.010368	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2Na"	45.978436
"1411638"	67.676004	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H+2Na"	46.985712
"1434402"	203.055046	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H+HCOOH"	47.012746
"226283"	184.06454	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+3H2O+2H"	56.04448
"1521641"	217.10709	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+IsoProp+H"	61.06479
"418409"	187.018488	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+Na+K"	61.952376
"779404"	265.039638	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+Na+K"	61.952376
"1669538"	108.997338	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Na+K"	61.952376
"256057"	376.100368	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+ACN+Na"	64.015768
"1225847"	220.058068	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+ACN+Na"	64.015768
"1713519"	220.081593	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+NH4+HCOOH"	64.039293
"1183739"	75.003318	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+3Na"	68.967654
"1656547"	225.036988	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Na+HCOOH"	68.994688
"163778"	389.00364	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+2K-H"	76.91904
"606254"	545.04594	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+2K-H"	76.91904
"1096962"	232.96134	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2K-H"	76.91904
"151595"	195.005458	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"2M+2K"	77.926316
"588602"	273.026608	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"3M+2K"	77.926316
"1074208"	116.984308	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2K"	77.926316
"1104135"	234.975892	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2K+H"	78.933592
"1337604"	235.063507	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+DMSO+H"	79.021207
"1013425"	239.102676	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2ACN+H"	83.060376
"1531549"	240.096308	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+IsoProp+Na+H"	84.054008
"999089"	120.054976	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+2ACN+2H"	84.067652
"1590314"	241.010928	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+K+HCOOH"	84.968628
"1424727"	271.042438	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+H+CF3COOH"	115.000138
"1161455"	140.568251	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+3ACN+2H"	125.094202
"1711860"	288.068985	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+NH4+CF3COOH"	132.026685
"1648606"	293.02438	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+Na+CF3COOH"	136.98208
"1584617"	308.99832	"C20710"	"(4R5R)-45-Dihydroxycyclohexa-1(6)2-diene-1-carboxylate;(3R4R)-34-Dihydroxycyclohexa-15-diene-1-carboxylate;DCDC"	"C7H8O4"	"156.0423"	"M+K+CF3COOH"	152.95602
"813890"	272.2504	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M"	0
"981954"	253.23201	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"72384"	180.492990666667	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"515226"	271.243124	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"888654"	89.7428573333333	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"7228"	271.243124	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"444601"	407.368324	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"819122"	135.117924	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"86770"	543.493524	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"526330"	815.743924	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"904132"	271.243124	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"48786"	560.520071	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"492598"	832.770471	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"864728"	288.269671	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"33075"	565.475466	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"482241"	837.725866	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"857855"	293.225066	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1629942"	293.225066	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"106834"	289.231463	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"539103"	425.356663	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"935907"	153.106263	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"270088"	579.470202	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"673207"	851.720602	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1281477"	307.219802	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"22939"	581.449406	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"466874"	853.699806	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"843584"	309.199006	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1565976"	309.199006	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"950578"	317.248594	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"370986"	589.499001	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"353778"	603.514651	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1502608"	331.264251	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"964679"	339.230551	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"111405"	307.219802	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"550960"	443.345002	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1023407"	171.094602	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1242617"	351.169285	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1305799"	353.225272	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1323291"	375.207229	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"913627"	385.235986	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1292526"	421.212664	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1368863"	237.237724	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1384289"	255.2477	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"283736"	545.508076	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"678104"	817.758476	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1351896"	273.257676	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H"	1.007276
"127710"	273.257676	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"576754"	409.382876	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1046644"	137.132476	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"218559"	182.507542666667	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"657390"	273.257676	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1172235"	91.7574093333333	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"431135"	562.534623	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"796504"	834.785023	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1686272"	290.284223	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"342206"	281.7709495	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"731347"	417.8961495	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1481887"	145.6457495	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"396920"	567.490018	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"763752"	839.740418	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1609663"	295.239618	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"324074"	284.248647	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"713217"	420.373847	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1469224"	148.123447	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1063564"	99.0847233333333	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1269617"	305.283886	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"390014"	583.463958	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"743716"	855.714358	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1546862"	311.213558	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+K"	38.963158
"301121"	292.235617	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"697552"	428.360817	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1449185"	156.110417	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"238147"	586.534626	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1211950"	314.284226	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1197292"	157.645751	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"191622"	589.47196	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"635564"	861.72236	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1136881"	317.22156	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"184183"	295.239618	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"618639"	431.364818	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1126158"	159.114418	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1407495"	106.412037333333	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1441072"	319.263146	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"226393"	300.27264	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1522850"	333.31519	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"420706"	303.226588	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"779514"	439.351788	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1676939"	167.101388	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"256532"	608.516568	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1228147"	336.266168	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1714118"	336.289693	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1184941"	113.739351333333	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1658116"	341.245088	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"168991"	621.41984	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"610376"	893.67024	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1096343"	349.16944	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"153164"	311.213558	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"595274"	447.338758	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1079057"	175.088358	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1105339"	351.183992	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1340630"	351.271607	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1016451"	355.310776	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1536398"	356.304408	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"999199"	178.159026	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1591517"	357.219028	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1429878"	387.250538	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1161443"	198.672301	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1712538"	404.277085	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1648351"	409.23248	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1584727"	425.20642	"C20711"	"Miltiradiene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"814000"	343.1784	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M"	0
"982064"	324.16001	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H2O-H"	-19.01839
"71400"	227.778324	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-3H"	-3.021828
"505495"	342.171124	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-3H"	-3.021828
"881109"	113.385524	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-3H"	-3.021828
"289"	342.171124	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H"	-2.014552
"440698"	513.760324	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H"	-2.014552
"817526"	170.581924	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H"	-2.014552
"84693"	685.349524	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-H"	-1.007276
"519271"	1028.527924	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-H"	-1.007276
"902055"	342.171124	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H"	-1.007276
"48896"	702.376071	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H+NH4"	16.019271
"488088"	1045.554471	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H+NH4"	16.019271
"865281"	359.197671	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H+NH4"	16.019271
"32330"	707.331466	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H+Na"	20.974666
"481987"	1050.509866	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H+Na"	20.974666
"860151"	364.153066	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H+Na"	20.974666
"1629686"	364.153066	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na-2H"	20.974666
"101840"	360.159463	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-H+Cl"	33.962126
"538120"	531.748663	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-H+Cl"	33.962126
"934924"	188.570263	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+Cl"	33.962126
"274573"	721.326202	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Cl"	34.969402
"669186"	1064.504602	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+Cl"	34.969402
"1281587"	378.147802	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl"	34.969402
"23049"	723.305406	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M-2H+K"	36.948606
"460424"	1066.483806	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M-2H+K"	36.948606
"839321"	380.127006	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-2H+K"	36.948606
"1560619"	380.127006	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K-2H"	36.948606
"948501"	388.176594	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+HCOOH"	44.998194
"366717"	731.355001	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+HCOOH-H"	44.998201
"347801"	745.370651	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Hac-H"	59.013851
"1498345"	402.192251	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Hac-H"	59.013851
"961509"	410.158551	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+NaCOOH"	66.980151
"111150"	378.147802	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2Cl"	69.938804
"550459"	549.737002	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2Cl"	69.938804
"1022785"	206.558602	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2Cl"	69.938804
"1245641"	422.097285	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Br"	78.918885
"1304526"	424.153272	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl+HCOOH"	80.974872
"1323036"	446.135229	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl+NaCOOH"	102.956829
"915926"	456.163986	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M-H+CF3COOH"	112.985586
"1291543"	492.140664	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Cl+CF3COOH"	148.962264
"1367880"	308.165724	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H-2H2O"	-35.012676
"1383306"	326.1757	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H-H2O"	-17.0027
"285791"	687.364076	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H"	1.007276
"676028"	1030.542476	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H"	1.007276
"1351599"	344.185676	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H"	1.007276
"127079"	344.185676	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2H"	2.014552
"576864"	515.774876	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2H"	2.014552
"1044568"	172.596476	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2H"	2.014552
"217577"	229.792876	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+3H"	3.021828
"655313"	344.185676	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+3H"	3.021828
"1172345"	115.400076	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+3H"	3.021828
"430879"	704.390623	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+NH4"	18.033823
"793334"	1047.569023	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+NH4"	18.033823
"1686382"	361.212223	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+NH4"	18.033823
"342316"	352.6989495	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H+NH4"	19.041099
"726717"	524.2881495	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H+NH4"	19.041099
"1481267"	181.1097495	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+NH4"	19.041099
"399583"	709.346018	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Na"	22.989218
"763862"	1052.524418	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+Na"	22.989218
"1608679"	366.167618	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na"	22.989218
"327465"	355.176647	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H+Na"	23.996494
"716606"	526.765847	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H+Na"	23.996494
"1471521"	183.587447	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+Na"	23.996494
"1063674"	122.72739	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2H+Na"	25.00377
"1266445"	376.211886	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+CH3OH+H"	33.033486
"387208"	725.319958	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+K"	38.963158
"741639"	1068.498358	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+K"	38.963158
"1542961"	382.141558	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K"	38.963158
"301595"	363.163617	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+H+K"	39.970434
"695473"	534.752817	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+H+K"	39.970434
"1446740"	191.574417	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+K"	39.970434
"239350"	728.390626	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+ACN+H"	42.033826
"1213153"	385.212226	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+ACN+H"	42.033826
"1195944"	193.109751	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+ACN+2H"	43.041102
"191731"	731.32796	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2Na-H"	44.97116
"635674"	1074.50636	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2Na-H"	44.97116
"1138084"	388.14956	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2Na-H"	44.97116
"175906"	366.167618	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2Na"	45.978436
"618385"	537.756818	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2Na"	45.978436
"1128090"	194.578418	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2Na"	45.978436
"1409792"	130.054704	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+2Na"	46.985712
"1441182"	390.191146	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+HCOOH"	47.012746
"225410"	371.20064	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+3H2O+2H"	56.04448
"1522716"	404.24319	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+IsoProp+H"	61.06479
"420816"	374.154588	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+Na+K"	61.952376
"778531"	545.743788	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+Na+K"	61.952376
"1678872"	202.565388	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na+K"	61.952376
"258100"	750.372568	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+ACN+Na"	64.015768
"1230444"	407.194168	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+ACN+Na"	64.015768
"1713254"	407.217693	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+NH4+HCOOH"	64.039293
"1178974"	137.382018	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+3Na"	68.967654
"1653850"	412.173088	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na+HCOOH"	68.994688
"165091"	763.27584	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2K-H"	76.91904
"609391"	1106.45424	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2K-H"	76.91904
"1091349"	420.09744	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2K-H"	76.91904
"153271"	382.141558	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"2M+2K"	77.926316
"593927"	553.730758	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"3M+2K"	77.926316
"1078438"	210.552358	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2K"	77.926316
"1106542"	422.111992	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2K+H"	78.933592
"1341834"	422.199607	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+DMSO+H"	79.021207
"1016561"	426.238776	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2ACN+H"	83.060376
"1536508"	427.232408	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+IsoProp+Na+H"	84.054008
"1001496"	213.623026	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+2ACN+2H"	84.067652
"1590534"	428.147028	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K+HCOOH"	84.968628
"1429322"	458.178538	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+H+CF3COOH"	115.000138
"1159609"	234.136301	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+3ACN+2H"	125.094202
"1711355"	475.205085	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+NH4+CF3COOH"	132.026685
"1649190"	480.16048	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+Na+CF3COOH"	136.98208
"1584837"	496.13442	"C20712"	"(S)-Laudanine;()-Laudanidine;5-((1S)-67-Dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-yl)methyl-2-methoxyphenol"	"C20H25NO4"	"343.1784"	"M+K+CF3COOH"	152.95602
"811923"	1108.6029	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M"	0
"979987"	1089.58451	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-H2O-H"	-19.01839
"71510"	738.061324	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M-3H"	-3.021828
"505604"	1107.595624	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M-3H"	-3.021828
"882313"	368.527024	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-3H"	-3.021828
"1249"	1107.595624	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M-2H"	-2.014552
"441900"	1661.897074	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M-2H"	-2.014552
"818125"	553.294174	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-2H"	-2.014552
"81887"	2216.198524	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M-H"	-1.007276
"522176"	3324.801424	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M-H"	-1.007276
"901072"	1107.595624	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-H"	-1.007276
"47462"	2233.225071	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M-2H+NH4"	16.019271
"487954"	3341.827971	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M-2H+NH4"	16.019271
"865394"	1124.622171	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-2H+NH4"	16.019271
"32322"	2238.180466	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M-2H+Na"	20.974666
"482097"	3346.783366	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M-2H+Na"	20.974666
"858804"	1129.577566	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-2H+Na"	20.974666
"1629432"	1129.577566	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Na-2H"	20.974666
"100856"	1125.583963	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M-H+Cl"	33.962126
"539324"	1679.885413	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M-H+Cl"	33.962126
"932846"	571.282513	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-H+Cl"	33.962126
"276870"	2252.175202	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+Cl"	34.969402
"669296"	3360.778102	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+Cl"	34.969402
"1281697"	1143.572302	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Cl"	34.969402
"20242"	2254.154406	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M-2H+K"	36.948606
"463815"	3362.757306	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M-2H+K"	36.948606
"839431"	1145.551506	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-2H+K"	36.948606
"1565102"	1145.551506	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+K-2H"	36.948606
"950798"	1153.601094	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-H+HCOOH"	44.998194
"370107"	2262.204001	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+HCOOH-H"	44.998201
"348154"	2276.219651	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+Hac-H"	59.013851
"1498455"	1167.616751	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Hac-H"	59.013851
"962713"	1175.583051	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-H+NaCOOH"	66.980151
"112720"	1143.572302	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+2Cl"	69.938804
"550454"	1697.873752	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+2Cl"	69.938804
"1021802"	589.270852	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2Cl"	69.938804
"1248302"	1187.521785	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Br"	78.918885
"1304437"	1189.577772	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Cl+HCOOH"	80.974872
"1320840"	1211.559729	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Cl+NaCOOH"	102.956829
"916036"	1221.588486	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M-H+CF3COOH"	112.985586
"1297121"	1257.565164	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Cl+CF3COOH"	148.962264
"1374187"	1073.590224	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H-2H2O"	-35.012676
"1383662"	1091.6002	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H-H2O"	-17.0027
"284809"	2218.213076	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+H"	1.007276
"676256"	3326.815976	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+H"	1.007276
"1351750"	1109.610176	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H"	1.007276
"127313"	1109.610176	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+2H"	2.014552
"579161"	1663.911626	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+2H"	2.014552
"1046865"	555.308726	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2H"	2.014552
"218780"	740.075876	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+3H"	3.021828
"652142"	1109.610176	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+3H"	3.021828
"1171724"	370.541576	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+3H"	3.021828
"433538"	2235.239623	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+NH4"	18.033823
"792345"	3343.842523	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+NH4"	18.033823
"1689042"	1126.636723	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+NH4"	18.033823
"338048"	1118.1234495	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+H+NH4"	19.041099
"727557"	1672.4248995	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+H+NH4"	19.041099
"1484292"	563.8219995	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H+NH4"	19.041099
"398599"	2240.195018	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+Na"	22.989218
"755220"	3348.797918	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+Na"	22.989218
"1606601"	1131.592118	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Na"	22.989218
"315908"	1120.601147	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+H+Na"	23.996494
"709057"	1674.902597	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+H+Na"	23.996494
"1463968"	566.299697	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H+Na"	23.996494
"1056482"	377.86889	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2H+Na"	25.00377
"1258409"	1141.636386	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+CH3OH+H"	33.033486
"379658"	2256.168958	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+K"	38.963158
"742836"	3364.771858	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+K"	38.963158
"1540639"	1147.566058	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+K"	38.963158
"298907"	1128.588117	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+H+K"	39.970434
"697767"	1682.889567	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+H+K"	39.970434
"1455960"	574.286667	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H+K"	39.970434
"239456"	2259.239626	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+ACN+H"	42.033826
"1211314"	1150.636726	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+ACN+H"	42.033826
"1194320"	575.822001	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+ACN+2H"	43.041102
"189775"	2262.17696	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+2Na-H"	44.97116
"635784"	3370.77986	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+2Na-H"	44.97116
"1137102"	1153.57406	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2Na-H"	44.97116
"176016"	1131.592118	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+2Na"	45.978436
"617767"	1685.893568	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+2Na"	45.978436
"1128200"	577.290668	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2Na"	45.978436
"1411725"	385.196204	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H+2Na"	46.985712
"1445423"	1155.615646	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H+HCOOH"	47.012746
"228799"	1136.62514	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+3H2O+2H"	56.04448
"1522333"	1169.66769	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+IsoProp+H"	61.06479
"420926"	1139.579088	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+Na+K"	61.952376
"774630"	1693.880538	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+Na+K"	61.952376
"1676066"	585.277638	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Na+K"	61.952376
"257480"	2281.221568	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+ACN+Na"	64.015768
"1228001"	1172.618668	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+ACN+Na"	64.015768
"1715430"	1172.642193	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+NH4+HCOOH"	64.039293
"1179810"	392.523518	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+3Na"	68.967654
"1653960"	1177.597588	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Na+HCOOH"	68.994688
"161921"	2294.12484	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+2K-H"	76.91904
"606584"	3402.72774	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+2K-H"	76.91904
"1091459"	1185.52194	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2K-H"	76.91904
"153745"	1147.566058	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"2M+2K"	77.926316
"594765"	1701.867508	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"3M+2K"	77.926316
"1079277"	593.264608	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2K"	77.926316
"1109568"	1187.536492	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2K+H"	78.933592
"1341944"	1187.624107	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+DMSO+H"	79.021207
"1016671"	1191.663276	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2ACN+H"	83.060376
"1536254"	1192.656908	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+IsoProp+Na+H"	84.054008
"1000513"	596.335276	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+2ACN+2H"	84.067652
"1593925"	1193.571528	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+K+HCOOH"	84.968628
"1427245"	1223.603038	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+H+CF3COOH"	115.000138
"1156439"	616.848551	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+3ACN+2H"	125.094202
"1712190"	1240.629585	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+NH4+CF3COOH"	132.026685
"1648936"	1245.58498	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+Na+CF3COOH"	136.98208
"1584947"	1261.55892	"C20713"	"Ginsenoside Rb1"	"C54H92O23"	"1108.6029"	"M+K+CF3COOH"	152.95602
"812033"	186.1256	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M"	0
"977910"	167.10721	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H2O-H"	-19.01839
"70526"	123.076457333333	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-3H"	-3.021828
"505715"	185.118324	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-3H"	-3.021828
"882423"	61.0345906666667	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-3H"	-3.021828
"751"	185.118324	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H"	-2.014552
"440920"	278.181124	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H"	-2.014552
"819452"	92.055524	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H"	-2.014552
"80904"	371.243924	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-H"	-1.007276
"523744"	557.369524	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-H"	-1.007276
"899359"	185.118324	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H"	-1.007276
"48995"	388.270471	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+NH4"	16.019271
"487255"	574.396071	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+NH4"	16.019271
"867450"	202.144871	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+NH4"	16.019271
"31945"	393.225866	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+Na"	20.974666
"482937"	579.351466	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+Na"	20.974666
"859644"	207.100266	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+Na"	20.974666
"1628813"	207.100266	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na-2H"	20.974666
"100966"	203.106663	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-H+Cl"	33.962126
"541621"	296.169463	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-H+Cl"	33.962126
"931863"	110.043863	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+Cl"	33.962126
"275887"	407.220602	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Cl"	34.969402
"663934"	593.346202	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Cl"	34.969402
"1275242"	221.095002	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl"	34.969402
"19988"	409.199806	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M-2H+K"	36.948606
"457726"	595.325406	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M-2H+K"	36.948606
"841727"	223.074206	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-2H+K"	36.948606
"1565212"	223.074206	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K-2H"	36.948606
"944347"	231.123794	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+HCOOH"	44.998194
"369124"	417.249401	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+HCOOH-H"	44.998201
"347537"	431.265051	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Hac-H"	59.013851
"1495278"	245.139451	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Hac-H"	59.013851
"961724"	253.105751	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+NaCOOH"	66.980151
"116110"	221.095002	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Cl"	69.938804
"550686"	314.157802	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Cl"	69.938804
"1022640"	128.032202	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Cl"	69.938804
"1245132"	265.044485	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Br"	78.918885
"1304190"	267.100472	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+HCOOH"	80.974872
"1321074"	289.082429	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+NaCOOH"	102.956829
"916146"	299.111186	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M-H+CF3COOH"	112.985586
"1297231"	335.087864	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Cl+CF3COOH"	148.962264
"1374297"	151.112924	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H-2H2O"	-35.012676
"1384139"	169.1229	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H-H2O"	-17.0027
"283703"	373.258476	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H"	1.007276
"677095"	559.384076	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H"	1.007276
"1351617"	187.132876	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H"	1.007276
"126085"	187.132876	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2H"	2.014552
"567961"	280.195676	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2H"	2.014552
"1038218"	94.070076	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2H"	2.014552
"206483"	125.091009333333	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+3H"	3.021828
"644432"	187.132876	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+3H"	3.021828
"1173657"	63.0491426666667	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3H"	3.021828
"432554"	390.285023	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+NH4"	18.033823
"794642"	576.410623	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+NH4"	18.033823
"1688786"	204.159423	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4"	18.033823
"334875"	195.6461495	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+NH4"	19.041099
"727303"	288.7089495	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+NH4"	19.041099
"1483309"	102.5833495	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+NH4"	19.041099
"398709"	395.240418	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Na"	22.989218
"757517"	581.366018	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Na"	22.989218
"1606711"	209.114818	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na"	22.989218
"314924"	198.123847	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+Na"	23.996494
"709166"	291.186647	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+Na"	23.996494
"1463350"	105.061047	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+Na"	23.996494
"1055865"	70.3764566666667	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2H+Na"	25.00377
"1261193"	219.159086	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+CH3OH+H"	33.033486
"380862"	411.214358	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+K"	38.963158
"741854"	597.339958	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+K"	38.963158
"1543179"	225.088758	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K"	38.963158
"299260"	206.110817	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+H+K"	39.970434
"700064"	299.173617	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+H+K"	39.970434
"1454977"	113.048017	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+K"	39.970434
"238475"	414.285026	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+ACN+H"	42.033826
"1211549"	228.159426	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+H"	42.033826
"1194461"	114.583351	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+2H"	43.041102
"190492"	417.22236	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Na-H"	44.97116
"632611"	603.34796	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Na-H"	44.97116
"1133928"	231.09676	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Na-H"	44.97116
"173326"	209.114818	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2Na"	45.978436
"616779"	302.177618	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2Na"	45.978436
"1127944"	116.052018	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2Na"	45.978436
"1412928"	77.7037706666667	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+2Na"	46.985712
"1440306"	233.138346	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+HCOOH"	47.012746
"228908"	214.14784	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+3H2O+2H"	56.04448
"1522443"	247.19039	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+H"	61.06479
"419943"	217.101788	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+Na+K"	61.952376
"775833"	310.164588	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+Na+K"	61.952376
"1675081"	124.038988	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+K"	61.952376
"257590"	436.266968	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+ACN+Na"	64.015768
"1227747"	250.141368	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+ACN+Na"	64.015768
"1715904"	250.164893	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4+HCOOH"	64.039293
"1179316"	85.0310846666667	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3Na"	68.967654
"1651271"	255.120288	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+HCOOH"	68.994688
"160203"	449.17024	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2K-H"	76.91904
"605600"	635.29584	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2K-H"	76.91904
"1089382"	263.04464	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K-H"	76.91904
"152762"	225.088758	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"2M+2K"	77.926316
"593781"	318.151558	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"3M+2K"	77.926316
"1079387"	132.025958	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K"	77.926316
"1110042"	265.059192	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2K+H"	78.933592
"1342054"	265.146807	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+DMSO+H"	79.021207
"1017511"	269.185976	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2ACN+H"	83.060376
"1535269"	270.179608	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+IsoProp+Na+H"	84.054008
"1001716"	135.096626	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+2ACN+2H"	84.067652
"1588078"	271.094228	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K+HCOOH"	84.968628
"1428449"	301.125738	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+H+CF3COOH"	115.000138
"1158734"	155.609901	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+3ACN+2H"	125.094202
"1710475"	318.152285	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+NH4+CF3COOH"	132.026685
"1649046"	323.10768	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+Na+CF3COOH"	136.98208
"1585057"	339.08162	"C20714"	"3-Oxodecanoate"	"C10H18O3"	"186.1256"	"M+K+CF3COOH"	152.95602
"813237"	460.3916	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M"	0
"982395"	441.37321	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-H2O-H"	-19.01839
"69544"	305.920457333333	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M-3H"	-3.021828
"505826"	459.384324	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M-3H"	-3.021828
"882533"	152.456590666667	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-3H"	-3.021828
"253"	459.384324	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M-2H"	-2.014552
"441761"	689.580124	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M-2H"	-2.014552
"817739"	229.188524	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-2H"	-2.014552
"82836"	919.775924	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M-H"	-1.007276
"525676"	1380.167524	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M-H"	-1.007276
"903480"	459.384324	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-H"	-1.007276
"56761"	936.802471	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M-2H+NH4"	16.019271
"496322"	1397.194071	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M-2H+NH4"	16.019271
"874490"	476.410871	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-2H+NH4"	16.019271
"31812"	941.757866	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M-2H+Na"	20.974666
"483047"	1402.149466	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M-2H+Na"	20.974666
"858661"	481.366266	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-2H+Na"	20.974666
"1628923"	481.366266	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Na-2H"	20.974666
"101076"	477.372663	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M-H+Cl"	33.962126
"541731"	707.568463	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M-H+Cl"	33.962126
"927961"	247.176863	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-H+Cl"	33.962126
"274903"	955.752602	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+Cl"	34.969402
"662218"	1416.144202	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+Cl"	34.969402
"1275716"	495.361002	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Cl"	34.969402
"20098"	957.731806	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M-2H+K"	36.948606
"458563"	1418.123406	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M-2H+K"	36.948606
"834539"	497.340206	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-2H+K"	36.948606
"1562041"	497.340206	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+K-2H"	36.948606
"947002"	505.389794	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-H+HCOOH"	44.998194
"365217"	965.781401	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+HCOOH-H"	44.998201
"346675"	979.797051	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+Hac-H"	59.013851
"1495389"	519.405451	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Hac-H"	59.013851
"961104"	527.371751	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-H+NaCOOH"	66.980151
"112940"	495.361002	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+2Cl"	69.938804
"550017"	725.556802	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+2Cl"	69.938804
"1022384"	265.165202	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2Cl"	69.938804
"1249614"	539.310485	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Br"	78.918885
"1304781"	541.366472	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Cl+HCOOH"	80.974872
"1320820"	563.348429	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Cl+NaCOOH"	102.956829
"916256"	573.377186	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M-H+CF3COOH"	112.985586
"1296248"	609.353864	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Cl+CF3COOH"	148.962264
"1374407"	425.378924	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H-2H2O"	-35.012676
"1383317"	443.3889	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H-H2O"	-17.0027
"282857"	921.790476	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+H"	1.007276
"675677"	1382.182076	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+H"	1.007276
"1351728"	461.398876	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H"	1.007276
"125953"	461.398876	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+2H"	2.014552
"567707"	691.594676	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+2H"	2.014552
"1038692"	231.203076	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2H"	2.014552
"204771"	307.935009333333	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+3H"	3.021828
"644242"	461.398876	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+3H"	3.021828
"1171580"	154.471142666667	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+3H"	3.021828
"433757"	938.817023	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+NH4"	18.033823
"791472"	1399.208623	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+NH4"	18.033823
"1688896"	478.425423	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+NH4"	18.033823
"337174"	469.9121495	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+H+NH4"	19.041099
"727413"	700.1079495	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+H+NH4"	19.041099
"1482326"	239.7163495	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H+NH4"	19.041099
"398819"	943.772418	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+Na"	22.989218
"763095"	1404.164018	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+Na"	22.989218
"1610102"	483.380818	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Na"	22.989218
"321232"	472.389847	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+H+Na"	23.996494
"712560"	702.585647	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+H+Na"	23.996494
"1464192"	242.194047	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H+Na"	23.996494
"1054884"	161.798456666667	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2H+Na"	25.00377
"1262396"	493.425086	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+CH3OH+H"	33.033486
"379149"	959.746358	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+K"	38.963158
"742328"	1420.137958	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+K"	38.963158
"1540374"	499.354758	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+K"	38.963158
"298839"	480.376817	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+H+K"	39.970434
"697989"	710.572617	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+H+K"	39.970434
"1456181"	250.181017	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H+K"	39.970434
"244784"	962.817026	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+ACN+H"	42.033826
"1218583"	502.425426	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+ACN+H"	42.033826
"1197729"	251.716351	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+ACN+2H"	43.041102
"190963"	965.75436	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+2Na-H"	44.97116
"628778"	1426.14596	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+2Na-H"	44.97116
"1131594"	505.36276	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2Na-H"	44.97116
"172982"	483.380818	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+2Na"	45.978436
"613479"	713.576618	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+2Na"	45.978436
"1121493"	253.185018	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2Na"	45.978436
"1413646"	169.125770666667	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H+2Na"	46.985712
"1443332"	507.404346	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H+HCOOH"	47.012746
"227925"	488.41384	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+3H2O+2H"	56.04448
"1520364"	521.45639	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+IsoProp+H"	61.06479
"420053"	491.367788	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+Na+K"	61.952376
"773756"	721.563588	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+Na+K"	61.952376
"1673005"	261.171988	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Na+K"	61.952376
"255878"	984.798968	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+ACN+Na"	64.015768
"1227857"	524.407368	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+ACN+Na"	64.015768
"1714921"	524.430893	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+NH4+HCOOH"	64.039293
"1178820"	176.453084666667	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+3Na"	68.967654
"1650289"	529.386288	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Na+HCOOH"	68.994688
"160313"	997.70224	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+2K-H"	76.91904
"605710"	1458.09384	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+2K-H"	76.91904
"1089492"	537.31064	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2K-H"	76.91904
"153966"	499.354758	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"2M+2K"	77.926316
"593891"	729.550558	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"3M+2K"	77.926316
"1079497"	269.158958	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2K"	77.926316
"1111247"	539.325192	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2K+H"	78.933592
"1344352"	539.412807	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+DMSO+H"	79.021207
"1018715"	543.451976	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2ACN+H"	83.060376
"1537933"	544.445608	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+IsoProp+Na+H"	84.054008
"1005111"	272.229626	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+2ACN+2H"	84.067652
"1588796"	545.360228	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+K+HCOOH"	84.968628
"1429287"	575.391738	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+H+CF3COOH"	115.000138
"1157751"	292.742901	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+3ACN+2H"	125.094202
"1710585"	592.418285	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+NH4+CF3COOH"	132.026685
"1649153"	597.37368	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+Na+CF3COOH"	136.98208
"1578606"	613.34762	"C20715"	"Protopanaxadiol;Dammar-24-ene-3beta12beta20-triol;(20S)-Protopanaxadiol"	"C30H52O3"	"460.3916"	"M+K+CF3COOH"	152.95602
"815902"	476.3866	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M"	0
"985791"	457.36821	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-H2O-H"	-19.01839
"77557"	316.583790666667	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M-3H"	-3.021828
"509219"	475.379324	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M-3H"	-3.021828
"884833"	157.788257333333	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-3H"	-3.021828
"7782"	475.379324	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M-2H"	-2.014552
"450988"	713.572624	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M-2H"	-2.014552
"828791"	237.186024	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-2H"	-2.014552
"85137"	951.765924	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M-H"	-1.007276
"525790"	1428.152524	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M-H"	-1.007276
"907238"	475.379324	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-H"	-1.007276
"60520"	968.792471	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M-2H+NH4"	16.019271
"501908"	1445.179071	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M-2H+NH4"	16.019271
"878129"	492.405871	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-2H+NH4"	16.019271
"45789"	973.747866	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M-2H+Na"	20.974666
"480607"	1450.134466	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M-2H+Na"	20.974666
"860230"	497.361266	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-2H+Na"	20.974666
"1633411"	497.361266	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Na-2H"	20.974666
"109581"	493.367663	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M-H+Cl"	33.962126
"540756"	731.560963	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M-H+Cl"	33.962126
"930989"	255.174363	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-H+Cl"	33.962126
"273918"	987.742602	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+Cl"	34.969402
"667437"	1464.129202	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+Cl"	34.969402
"1276560"	511.356002	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Cl"	34.969402
"28838"	989.721806	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M-2H+K"	36.948606
"465237"	1466.108406	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M-2H+K"	36.948606
"847538"	513.335206	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-2H+K"	36.948606
"1565434"	513.335206	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+K-2H"	36.948606
"955505"	521.384794	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-H+HCOOH"	44.998194
"369346"	997.771401	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+HCOOH-H"	44.998201
"352138"	1011.787051	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+Hac-H"	59.013851
"1504251"	535.400451	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Hac-H"	59.013851
"964136"	543.366751	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-H+NaCOOH"	66.980151
"112317"	511.356002	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+2Cl"	69.938804
"551144"	749.549302	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+2Cl"	69.938804
"1022863"	273.162702	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2Cl"	69.938804
"1242805"	555.305485	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Br"	78.918885
"1314375"	557.361472	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Cl+HCOOH"	80.974872
"1334059"	579.343429	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Cl+NaCOOH"	102.956829
"923660"	589.372186	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M-H+CF3COOH"	112.985586
"1297452"	625.348864	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Cl+CF3COOH"	148.962264
"1373428"	441.373924	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H-2H2O"	-35.012676
"1396028"	459.3839	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H-H2O"	-17.0027
"287330"	953.780476	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+H"	1.007276
"677565"	1430.167076	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+H"	1.007276
"1352087"	477.393876	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H"	1.007276
"126798"	477.393876	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+2H"	2.014552
"567090"	715.587176	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+2H"	2.014552
"1038440"	239.200576	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2H"	2.014552
"208530"	318.598342666667	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+3H"	3.021828
"656845"	477.393876	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+3H"	3.021828
"1172783"	159.802809333333	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+3H"	3.021828
"433867"	970.807023	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+NH4"	18.033823
"797049"	1447.193623	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+NH4"	18.033823
"1689010"	494.420423	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+NH4"	18.033823
"334008"	485.9071495	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+H+NH4"	19.041099
"730804"	724.1004495	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+H+NH4"	19.041099
"1490093"	247.7138495	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H+NH4"	19.041099
"407318"	975.762418	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+Na"	22.989218
"763206"	1452.149018	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+Na"	22.989218
"1608025"	499.375818	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Na"	22.989218
"325717"	488.384847	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+H+Na"	23.996494
"720571"	726.578147	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+H+Na"	23.996494
"1474876"	250.191547	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H+Na"	23.996494
"1064111"	167.130123333333	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2H+Na"	25.00377
"1265790"	509.420086	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+CH3OH+H"	33.033486
"384365"	991.736358	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+K"	38.963158
"742080"	1468.122958	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+K"	38.963158
"1541094"	515.349758	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+K"	38.963158
"304588"	496.371817	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+H+K"	39.970434
"702473"	734.565117	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+H+K"	39.970434
"1454106"	258.178517	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H+K"	39.970434
"241615"	994.807026	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+ACN+H"	42.033826
"1219791"	518.420426	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+ACN+H"	42.033826
"1202581"	259.713851	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+ACN+2H"	43.041102
"192170"	997.74436	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+2Na-H"	44.97116
"632459"	1474.13096	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+2Na-H"	44.97116
"1132068"	521.35776	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2Na-H"	44.97116
"173455"	499.375818	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+2Na"	45.978436
"613257"	737.569118	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+2Na"	45.978436
"1116324"	261.182518	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2Na"	45.978436
"1399038"	174.457437333333	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H+2Na"	46.985712
"1430309"	523.399346	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H+HCOOH"	47.012746
"233137"	504.40884	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+3H2O+2H"	56.04448
"1521928"	537.45139	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+IsoProp+H"	61.06479
"419067"	507.362788	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+Na+K"	61.952376
"776779"	745.556088	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+Na+K"	61.952376
"1672018"	269.169488	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Na+K"	61.952376
"257445"	1016.788968	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+ACN+Na"	64.015768
"1234528"	540.402368	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+ACN+Na"	64.015768
"1715759"	540.425893	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+NH4+HCOOH"	64.039293
"1184395"	181.784751333333	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+3Na"	68.967654
"1656478"	545.381288	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Na+HCOOH"	68.994688
"162609"	1029.69224	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+2K-H"	76.91904
"601077"	1506.07884	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+2K-H"	76.91904
"1091060"	553.30564	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2K-H"	76.91904
"148241"	515.349758	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"2M+2K"	77.926316
"583912"	753.543058	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"3M+2K"	77.926316
"1077052"	277.156458	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2K"	77.926316
"1107710"	555.320192	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2K+H"	78.933592
"1343366"	555.407807	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+DMSO+H"	79.021207
"1014083"	559.446976	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2ACN+H"	83.060376
"1533302"	560.440608	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+IsoProp+Na+H"	84.054008
"1003032"	280.227126	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+2ACN+2H"	84.067652
"1588785"	561.355228	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+K+HCOOH"	84.968628
"1424291"	591.386738	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+H+CF3COOH"	115.000138
"1157497"	300.740401	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+3ACN+2H"	125.094202
"1710695"	608.413285	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+NH4+CF3COOH"	132.026685
"1644161"	613.36868	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+Na+CF3COOH"	136.98208
"1585277"	629.34262	"C20716"	"Protopanaxatriol;Dammar-24-ene-3beta6alpha12beta20-tetrol"	"C30H52O4"	"476.3866"	"M+K+CF3COOH"	152.95602
"811270"	128.0473	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M"	0
"979334"	109.02891	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-H2O-H"	-19.01839
"74140"	84.3575906666667	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M-3H"	-3.021828
"516984"	127.040024	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M-3H"	-3.021828
"890411"	41.6751573333333	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-3H"	-3.021828
"12996"	127.040024	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M-2H"	-2.014552
"455435"	191.063674	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M-2H"	-2.014552
"829266"	63.016374	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-2H"	-2.014552
"88527"	255.087324	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M-H"	-1.007276
"532462"	383.134624	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M-H"	-1.007276
"910025"	127.040024	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-H"	-1.007276
"61364"	272.113871	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M-2H+NH4"	16.019271
"500924"	400.161171	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M-2H+NH4"	16.019271
"878236"	144.066571	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-2H+NH4"	16.019271
"45779"	277.069266	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M-2H+Na"	20.974666
"485825"	405.116566	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M-2H+Na"	20.974666
"862650"	149.021966	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-2H+Na"	20.974666
"1632916"	149.021966	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Na-2H"	20.974666
"109566"	145.028363	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M-H+Cl"	33.962126
"543052"	209.052013	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M-H+Cl"	33.962126
"931103"	81.004713	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-H+Cl"	33.962126
"272941"	291.064002	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+Cl"	34.969402
"663177"	419.111302	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+Cl"	34.969402
"1279954"	163.016702	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Cl"	34.969402
"26882"	293.043206	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M-2H+K"	36.948606
"466444"	421.090506	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M-2H+K"	36.948606
"836591"	164.995906	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-2H+K"	36.948606
"1568828"	164.995906	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+K-2H"	36.948606
"952337"	173.045494	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-H+HCOOH"	44.998194
"366179"	301.092801	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+HCOOH-H"	44.998201
"351156"	315.108451	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+Hac-H"	59.013851
"1496707"	187.061151	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Hac-H"	59.013851
"962061"	195.027451	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-H+NaCOOH"	66.980151
"112063"	163.016702	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+2Cl"	69.938804
"551984"	227.040352	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+2Cl"	69.938804
"1022608"	98.993052	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2Cl"	69.938804
"1242554"	206.966185	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Br"	78.918885
"1313392"	209.022172	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Cl+HCOOH"	80.974872
"1333076"	231.004129	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Cl+NaCOOH"	102.956829
"923770"	241.032886	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M-H+CF3COOH"	112.985586
"1299750"	277.009564	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Cl+CF3COOH"	148.962264
"1380100"	93.034624	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H-2H2O"	-35.012676
"1396382"	111.0446	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H-H2O"	-17.0027
"287440"	257.101876	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+H"	1.007276
"680955"	385.149176	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+H"	1.007276
"1352682"	129.054576	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H"	1.007276
"127634"	129.054576	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+2H"	2.014552
"567931"	193.078226	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+2H"	2.014552
"1041835"	65.030926	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2H"	2.014552
"207546"	86.3721426666667	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+3H"	3.021828
"655862"	129.054576	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+3H"	3.021828
"1172531"	43.6897093333333	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+3H"	3.021828
"430700"	274.128423	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+NH4"	18.033823
"792790"	402.175723	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+NH4"	18.033823
"1688027"	146.081123	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+NH4"	18.033823
"342867"	137.5678495	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+H+NH4"	19.041099
"733102"	201.5914995	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+H+NH4"	19.041099
"1485829"	73.5441995	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H+NH4"	19.041099
"402322"	279.083818	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+Na"	22.989218
"761130"	407.131118	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+Na"	22.989218
"1610323"	151.036518	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Na"	22.989218
"323641"	140.045547	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+H+Na"	23.996494
"718980"	204.069197	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+H+Na"	23.996494
"1469883"	76.021897	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H+Na"	23.996494
"1062035"	51.0170233333333	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2H+Na"	25.00377
"1265900"	161.080786	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+CH3OH+H"	33.033486
"391040"	295.057758	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+K"	38.963158
"744377"	423.105058	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+K"	38.963158
"1544240"	167.010458	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+K"	38.963158
"306884"	148.032517	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+H+K"	39.970434
"699303"	212.056167	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+H+K"	39.970434
"1452030"	84.008867	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H+K"	39.970434
"239173"	298.128426	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+ACN+H"	42.033826
"1211637"	170.081126	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+ACN+H"	42.033826
"1201233"	85.544201	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+ACN+2H"	43.041102
"192280"	301.06576	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+2Na-H"	44.97116
"632209"	429.11306	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+2Na-H"	44.97116
"1131495"	173.01846	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2Na-H"	44.97116
"174631"	151.036518	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+2Na"	45.978436
"617473"	215.060168	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+2Na"	45.978436
"1121712"	87.012868	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2Na"	45.978436
"1411798"	58.3443373333333	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H+2Na"	46.985712
"1444647"	175.060046	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H+HCOOH"	47.012746
"231426"	156.06954	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+3H2O+2H"	56.04448
"1520585"	189.11209	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+IsoProp+H"	61.06479
"418084"	159.023488	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+Na+K"	61.952376
"776892"	223.047138	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+Na+K"	61.952376
"1671037"	94.999838	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Na+K"	61.952376
"253178"	320.110368	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+ACN+Na"	64.015768
"1229169"	192.063068	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+ACN+Na"	64.015768
"1715503"	192.086593	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+NH4+HCOOH"	64.039293
"1180860"	65.6716513333333	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+3Na"	68.967654
"1651359"	197.041988	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Na+HCOOH"	68.994688
"159805"	333.01364	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+2K-H"	76.91904
"605565"	461.06094	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+2K-H"	76.91904
"1088618"	204.96634	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2K-H"	76.91904
"149444"	167.010458	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"2M+2K"	77.926316
"589370"	231.034108	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"3M+2K"	77.926316
"1075705"	102.986808	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2K"	77.926316
"1103810"	206.980892	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2K+H"	78.933592
"1344937"	207.068507	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+DMSO+H"	79.021207
"1020152"	211.107676	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2ACN+H"	83.060376
"1537060"	212.101308	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+IsoProp+Na+H"	84.054008
"1004482"	106.057476	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+2ACN+2H"	84.067652
"1591082"	213.015928	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+K+HCOOH"	84.968628
"1428778"	243.047438	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+H+CF3COOH"	115.000138
"1157971"	126.570751	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+3ACN+2H"	125.094202
"1710805"	260.073985	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+NH4+CF3COOH"	132.026685
"1647552"	265.02938	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+Na+CF3COOH"	136.98208
"1585387"	281.00332	"C20717"	"4-Hydroxy-25-dimethylfuran-3(2H)-one;Dimethylhydroxy furanone"	"C6H8O3"	"128.0473"	"M+K+CF3COOH"	152.95602
"812473"	126.0317	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M"	0
"982724"	107.01331	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-H2O-H"	-19.01839
"68779"	83.0138573333333	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M-3H"	-3.021828
"512720"	125.024424	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M-3H"	-3.021828
"887241"	41.0032906666667	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-3H"	-3.021828
"8002"	125.024424	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M-2H"	-2.014552
"451936"	188.040274	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M-2H"	-2.014552
"828646"	62.008574	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-2H"	-2.014552
"82077"	251.056124	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M-H"	-1.007276
"526012"	377.087824	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M-H"	-1.007276
"908552"	125.024424	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-H"	-1.007276
"60011"	268.082671	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M-2H+NH4"	16.019271
"499572"	394.114371	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M-2H+NH4"	16.019271
"879196"	142.050971	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-2H+NH4"	16.019271
"46696"	273.038066	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M-2H+Na"	20.974666
"486174"	399.069766	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M-2H+Na"	20.974666
"858628"	147.006366	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-2H+Na"	20.974666
"1629254"	147.006366	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Na-2H"	20.974666
"106877"	143.012763	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M-H+Cl"	33.962126
"546442"	206.028613	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M-H+Cl"	33.962126
"930482"	79.996913	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-H+Cl"	33.962126
"271957"	287.032802	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+Cl"	34.969402
"669847"	413.064502	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+Cl"	34.969402
"1276783"	161.001102	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Cl"	34.969402
"23712"	289.012006	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M-2H+K"	36.948606
"468742"	415.043706	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M-2H+K"	36.948606
"843262"	162.980306	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-2H+K"	36.948606
"1571128"	162.980306	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+K-2H"	36.948606
"952446"	171.029894	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-H+HCOOH"	44.998194
"369569"	297.061601	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+HCOOH-H"	44.998201
"353453"	311.077251	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+Hac-H"	59.013851
"1505564"	185.045551	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Hac-H"	59.013851
"965451"	193.011851	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-H+NaCOOH"	66.980151
"114360"	161.001102	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+2Cl"	69.938804
"558293"	224.016952	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+2Cl"	69.938804
"1023816"	97.985252	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2Cl"	69.938804
"1243028"	204.950585	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Br"	78.918885
"1313502"	207.006572	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Cl+HCOOH"	80.974872
"1333187"	228.988529	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Cl+NaCOOH"	102.956829
"924245"	239.017286	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M-H+CF3COOH"	112.985586
"1297674"	274.993964	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Cl+CF3COOH"	148.962264
"1379117"	91.019024	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H-2H2O"	-35.012676
"1391145"	109.029	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H-H2O"	-17.0027
"285363"	253.070676	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+H"	1.007276
"681065"	379.102376	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+H"	1.007276
"1352670"	127.038976	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H"	1.007276
"128108"	127.038976	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+2H"	2.014552
"566332"	190.054826	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+2H"	2.014552
"1037927"	64.023126	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2H"	2.014552
"206921"	85.0284093333333	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+3H"	3.021828
"654878"	127.038976	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+3H"	3.021828
"1174099"	43.0178426666667	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+3H"	3.021828
"431903"	270.097223	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+NH4"	18.033823
"796180"	396.128923	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+NH4"	18.033823
"1688137"	144.065523	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+NH4"	18.033823
"344070"	135.5522495	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+H+NH4"	19.041099
"735398"	198.5680995	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+H+NH4"	19.041099
"1487032"	72.5363995	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H+NH4"	19.041099
"402431"	275.052618	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+Na"	22.989218
"761238"	401.084318	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+Na"	22.989218
"1611526"	149.020918	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Na"	22.989218
"323751"	138.029947	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+H+Na"	23.996494
"719453"	201.045797	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+H+Na"	23.996494
"1471086"	75.014097	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H+Na"	23.996494
"1062145"	50.3451566666667	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2H+Na"	25.00377
"1269292"	159.065186	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+CH3OH+H"	33.033486
"389326"	291.026558	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+K"	38.963158
"746674"	417.058258	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+K"	38.963158
"1547632"	164.994858	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+K"	38.963158
"306995"	146.016917	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+H+K"	39.970434
"702693"	209.032767	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+H+K"	39.970434
"1452140"	83.001067	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H+K"	39.970434
"240013"	294.097226	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+ACN+H"	42.033826
"1210898"	168.065526	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+ACN+H"	42.033826
"1202072"	84.536401	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+ACN+2H"	43.041102
"194213"	297.03456	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+2Na-H"	44.97116
"631954"	423.06626	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+2Na-H"	44.97116
"1131455"	171.00286	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2Na-H"	44.97116
"175470"	149.020918	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+2Na"	45.978436
"617947"	212.036768	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+2Na"	45.978436
"1120729"	86.005068	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2Na"	45.978436
"1411544"	57.6724706666667	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H+2Na"	46.985712
"1444024"	173.044446	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H+HCOOH"	47.012746
"234088"	154.05394	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+3H2O+2H"	56.04448
"1521059"	187.09649	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+IsoProp+H"	61.06479
"420379"	157.007888	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+Na+K"	61.952376
"777001"	220.023738	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+Na+K"	61.952376
"1674427"	93.992038	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Na+K"	61.952376
"255475"	316.079168	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+ACN+Na"	64.015768
"1230008"	190.047468	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+ACN+Na"	64.015768
"1716706"	190.070993	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+NH4+HCOOH"	64.039293
"1183157"	64.9997846666667	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+3Na"	68.967654
"1654144"	195.026388	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Na+HCOOH"	68.994688
"163560"	328.98244	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+2K-H"	76.91904
"607496"	455.01414	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+2K-H"	76.91904
"1094560"	202.95074	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2K-H"	76.91904
"149918"	164.994858	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"2M+2K"	77.926316
"590572"	228.010708	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"3M+2K"	77.926316
"1078002"	101.979008	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2K"	77.926316
"1105014"	204.965292	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2K+H"	78.933592
"1349422"	205.052907	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+DMSO+H"	79.021207
"1019775"	209.092076	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2ACN+H"	83.060376
"1538753"	210.085708	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+IsoProp+Na+H"	84.054008
"1004963"	105.049676	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+2ACN+2H"	84.067652
"1597753"	211.000328	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+K+HCOOH"	84.968628
"1425610"	241.031838	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+H+CF3COOH"	115.000138
"1159904"	125.562951	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+3ACN+2H"	125.094202
"1707634"	258.058385	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+NH4+CF3COOH"	132.026685
"1647663"	263.01378	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+Na+CF3COOH"	136.98208
"1585497"	278.98772	"C20718"	"4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one"	"C6H6O3"	"126.0317"	"M+K+CF3COOH"	152.95602
"809303"	1142.2827	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M"	0
"974815"	1123.26431	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-H2O-H"	-19.01839
"68889"	760.514524	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M-3H"	-3.021828
"512830"	1141.275424	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M-3H"	-3.021828
"894966"	379.753624	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-3H"	-3.021828
"10300"	1141.275424	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M-2H"	-2.014552
"452047"	1712.416774	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M-2H"	-2.014552
"828756"	570.134074	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-2H"	-2.014552
"85467"	2283.558124	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M-H"	-1.007276
"529402"	3425.840824	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M-H"	-1.007276
"907204"	1141.275424	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-H"	-1.007276
"60121"	2300.584671	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M-2H+NH4"	16.019271
"500775"	3442.867371	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M-2H+NH4"	16.019271
"878821"	1158.301971	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-2H+NH4"	16.019271
"47008"	2305.540066	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M-2H+Na"	20.974666
"486406"	3447.822766	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M-2H+Na"	20.974666
"858738"	1163.257366	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-2H+Na"	20.974666
"1629364"	1163.257366	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Na-2H"	20.974666
"103707"	1159.263763	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M-H+Cl"	33.962126
"544366"	1730.405113	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M-H+Cl"	33.962126
"929860"	588.122413	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-H+Cl"	33.962126
"269880"	2319.534802	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+Cl"	34.969402
"668864"	3461.817502	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+Cl"	34.969402
"1273488"	1177.252102	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Cl"	34.969402
"23822"	2321.514006	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M-2H+K"	36.948606
"468851"	3463.796706	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M-2H+K"	36.948606
"843372"	1179.231306	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-2H+K"	36.948606
"1566860"	1179.231306	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+K-2H"	36.948606
"954743"	1187.280894	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-H+HCOOH"	44.998194
"371866"	2329.563601	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+HCOOH-H"	44.998201
"355751"	2343.579251	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+Hac-H"	59.013851
"1505675"	1201.296551	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Hac-H"	59.013851
"968842"	1209.262851	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-H+NaCOOH"	66.980151
"117750"	1177.252102	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+2Cl"	69.938804
"558403"	1748.393452	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+2Cl"	69.938804
"1023926"	606.110752	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2Cl"	69.938804
"1243137"	1221.201585	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Br"	78.918885
"1314705"	1223.257572	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Cl+HCOOH"	80.974872
"1332204"	1245.239529	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Cl+NaCOOH"	102.956829
"925086"	1255.268286	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M-H+CF3COOH"	112.985586
"1295597"	1291.244964	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Cl+CF3COOH"	148.962264
"1378863"	1107.270024	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H-2H2O"	-35.012676
"1391255"	1125.28	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H-H2O"	-17.0027
"285473"	2285.572676	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+H"	1.007276
"681175"	3427.855376	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+H"	1.007276
"1352051"	1143.289976	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H"	1.007276
"127128"	1143.289976	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+2H"	2.014552
"566443"	1714.431326	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+2H"	2.014552
"1038400"	572.148626	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2H"	2.014552
"206304"	762.529076	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+3H"	3.021828
"654624"	1143.289976	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+3H"	3.021828
"1170928"	381.768176	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+3H"	3.021828
"433106"	2302.599223	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+NH4"	18.033823
"793010"	3444.881923	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+NH4"	18.033823
"1686424"	1160.316523	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+NH4"	18.033823
"336525"	1151.8032495	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+H+NH4"	19.041099
"731134"	1722.9445995	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+H+NH4"	19.041099
"1487142"	580.6618995	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H+NH4"	19.041099
"401448"	2307.554618	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+Na"	22.989218
"759164"	3449.837318	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+Na"	22.989218
"1608356"	1165.271918	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Na"	22.989218
"326048"	1154.280947	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+H+Na"	23.996494
"719564"	1725.422297	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+H+Na"	23.996494
"1473383"	583.139597	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H+Na"	23.996494
"1062255"	389.09549	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2H+Na"	25.00377
"1269402"	1175.316186	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+CH3OH+H"	33.033486
"391989"	2323.528558	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+K"	38.963158
"748971"	3465.811258	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+K"	38.963158
"1547742"	1181.245858	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+K"	38.963158
"307105"	1162.267917	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+H+K"	39.970434
"700617"	1733.409267	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+H+K"	39.970434
"1452250"	591.126567	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H+K"	39.970434
"240853"	2326.599226	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+ACN+H"	42.033826
"1212102"	1184.316526	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+ACN+H"	42.033826
"1201818"	592.661901	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+ACN+2H"	43.041102
"191407"	2329.53656	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+2Na-H"	44.97116
"633157"	3471.81926	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+2Na-H"	44.97116
"1131553"	1187.25386	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2Na-H"	44.97116
"177038"	1165.271918	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+2Na"	45.978436
"621705"	1736.413268	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+2Na"	45.978436
"1121932"	594.130568	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2Na"	45.978436
"1409831"	396.422804	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H+2Na"	46.985712
"1444013"	1189.295446	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H+HCOOH"	47.012746
"235170"	1170.30494	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+3H2O+2H"	56.04448
"1521898"	1203.34749	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+IsoProp+H"	61.06479
"420490"	1173.258888	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+Na+K"	61.952376
"779300"	1744.400238	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+Na+K"	61.952376
"1672350"	602.117538	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Na+K"	61.952376
"256316"	2348.581168	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+ACN+Na"	64.015768
"1231578"	1206.298468	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+ACN+Na"	64.015768
"1720464"	1206.321993	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+NH4+HCOOH"	64.039293
"1182538"	403.750118	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+3Na"	68.967654
"1654620"	1211.277388	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Na+HCOOH"	68.994688
"163670"	2361.48444	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+2K-H"	76.91904
"605420"	3503.76714	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+2K-H"	76.91904
"1092118"	1219.20174	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2K-H"	76.91904
"150028"	1181.245858	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"2M+2K"	77.926316
"588496"	1752.387208	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"3M+2K"	77.926316
"1075196"	610.104508	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2K"	77.926316
"1109499"	1221.216292	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2K+H"	78.933592
"1348072"	1221.303907	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+DMSO+H"	79.021207
"1019885"	1225.343076	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2ACN+H"	83.060376
"1537648"	1226.336708	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+IsoProp+Na+H"	84.054008
"1004461"	613.175176	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+2ACN+2H"	84.067652
"1594584"	1227.251328	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+K+HCOOH"	84.968628
"1426449"	1257.282838	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+H+CF3COOH"	115.000138
"1159285"	633.688451	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+3ACN+2H"	125.094202
"1707744"	1274.309385	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+NH4+CF3COOH"	132.026685
"1648866"	1279.26478	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+Na+CF3COOH"	136.98208
"1585607"	1295.23872	"C20719"	"Vancomycin aglycone"	"C53H52Cl2N8O17"	"1142.2827"	"M+K+CF3COOH"	152.95602
"812693"	1304.3356	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M"	0
"979665"	1285.31721	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-H2O-H"	-19.01839
"66813"	868.549790666667	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M-3H"	-3.021828
"517680"	1303.328324	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M-3H"	-3.021828
"894388"	433.771257333333	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-3H"	-3.021828
"10410"	1303.328324	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M-2H"	-2.014552
"455367"	1955.496124	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M-2H"	-2.014552
"828866"	651.160524	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-2H"	-2.014552
"88857"	2607.663924	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M-H"	-1.007276
"533770"	3911.999524	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M-H"	-1.007276
"909137"	1303.328324	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-H"	-1.007276
"61447"	2624.690471	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M-2H+NH4"	16.019271
"502808"	3929.026071	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M-2H+NH4"	16.019271
"879179"	1320.354871	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-2H+NH4"	16.019271
"46105"	2629.645866	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M-2H+Na"	20.974666
"485305"	3933.981466	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M-2H+Na"	20.974666
"862625"	1325.310266	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-2H+Na"	20.974666
"1632764"	1325.310266	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Na-2H"	20.974666
"108437"	1321.316663	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M-H+Cl"	33.962126
"546662"	1973.484463	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M-H+Cl"	33.962126
"929248"	669.148863	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-H+Cl"	33.962126
"273272"	2643.640602	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+Cl"	34.969402
"671161"	3947.976202	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+Cl"	34.969402
"1273966"	1339.305002	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Cl"	34.969402
"27212"	2645.619806	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M-2H+K"	36.948606
"467504"	3949.955406	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M-2H+K"	36.948606
"841295"	1341.284206	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-2H+K"	36.948606
"1566970"	1341.284206	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+K-2H"	36.948606
"953760"	1349.333794	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-H+HCOOH"	44.998194
"368694"	2653.669401	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+HCOOH-H"	44.998201
"349297"	2667.685051	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+Hac-H"	59.013851
"1499223"	1363.349451	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Hac-H"	59.013851
"967858"	1371.315751	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-H+NaCOOH"	66.980151
"120048"	1339.305002	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+2Cl"	69.938804
"556326"	1991.472802	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+2Cl"	69.938804
"1030596"	687.137202	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2Cl"	69.938804
"1244707"	1383.254485	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Br"	78.918885
"1319437"	1385.310472	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Cl+HCOOH"	80.974872
"1334868"	1407.292429	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Cl+NaCOOH"	102.956829
"925559"	1417.321186	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M-H+CF3COOH"	112.985586
"1303729"	1453.297864	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Cl+CF3COOH"	148.962264
"1379704"	1269.322924	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H-2H2O"	-35.012676
"1395743"	1287.3329	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H-H2O"	-17.0027
"292146"	2609.678476	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+H"	1.007276
"685663"	3914.014076	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+H"	1.007276
"1358728"	1305.342876	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H"	1.007276
"132712"	1305.342876	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+2H"	2.014552
"573366"	1957.510676	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+2H"	2.014552
"1045445"	653.175076	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2H"	2.014552
"206417"	870.564342666667	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+3H"	3.021828
"659357"	1305.342876	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+3H"	3.021828
"1175658"	435.785809333333	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+3H"	3.021828
"436863"	2626.705023	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+NH4"	18.033823
"796037"	3931.040623	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+NH4"	18.033823
"1691638"	1322.369423	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+NH4"	18.033823
"342832"	1313.8561495	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+H+NH4"	19.041099
"731244"	1966.0239495	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+H+NH4"	19.041099
"1487252"	661.6883495	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H+NH4"	19.041099
"407514"	2631.660418	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+Na"	22.989218
"769362"	3935.996018	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+Na"	22.989218
"1617582"	1327.324818	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Na"	22.989218
"327982"	1316.333847	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+H+Na"	23.996494
"721988"	1968.501647	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+H+Na"	23.996494
"1476901"	664.166047	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H+Na"	23.996494
"1067835"	443.113123333333	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2H+Na"	25.00377
"1270971"	1337.369086	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+CH3OH+H"	33.033486
"390640"	2647.634358	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+K"	38.963158
"746895"	3951.969958	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+K"	38.963158
"1546760"	1343.298758	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+K"	38.963158
"311225"	1324.320817	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+H+K"	39.970434
"699634"	1976.488617	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+H+K"	39.970434
"1453455"	672.153017	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H+K"	39.970434
"240234"	2650.705026	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+ACN+H"	42.033826
"1214763"	1346.369426	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+ACN+H"	42.033826
"1203023"	673.688351	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+ACN+2H"	43.041102
"194800"	2653.64236	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+2Na-H"	44.97116
"632539"	3957.97796	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+2Na-H"	44.97116
"1136411"	1349.30676	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2Na-H"	44.97116
"177880"	1327.324818	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+2Na"	45.978436
"621814"	1979.492618	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+2Na"	45.978436
"1122042"	675.157018	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2Na"	45.978436
"1412736"	450.440437333333	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H+2Na"	46.985712
"1443884"	1351.348346	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H+HCOOH"	47.012746
"231394"	1332.35784	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+3H2O+2H"	56.04448
"1517636"	1365.40039	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+IsoProp+H"	61.06479
"417321"	1335.311788	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+Na+K"	61.952376
"779410"	1987.479588	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+Na+K"	61.952376
"1673552"	683.143988	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Na+K"	61.952376
"258981"	2672.686968	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+ACN+Na"	64.015768
"1230962"	1368.351368	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+ACN+Na"	64.015768
"1722766"	1368.374893	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+NH4+HCOOH"	64.039293
"1182653"	457.767751333333	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+3Na"	68.967654
"1658743"	1373.330288	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Na+HCOOH"	68.994688
"158314"	2685.59024	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+2K-H"	76.91904
"604436"	3989.92584	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+2K-H"	76.91904
"1088947"	1381.25464	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2K-H"	76.91904
"151962"	1343.298758	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"2M+2K"	77.926316
"592617"	1995.466558	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"3M+2K"	77.926316
"1075306"	691.130958	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2K"	77.926316
"1107421"	1383.269192	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2K+H"	78.933592
"1348182"	1383.356807	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+DMSO+H"	79.021207
"1020480"	1387.395976	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2ACN+H"	83.060376
"1539663"	1388.389608	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+IsoProp+Na+H"	84.054008
"1004937"	694.201626	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+2ACN+2H"	84.067652
"1601985"	1389.304228	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+K+HCOOH"	84.968628
"1428381"	1419.335738	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+H+CF3COOH"	115.000138
"1159396"	714.714901	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+3ACN+2H"	125.094202
"1707854"	1436.362285	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+NH4+CF3COOH"	132.026685
"1647884"	1441.31768	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+Na+CF3COOH"	136.98208
"1585717"	1457.29162	"C20720"	"Desvancosaminyl-vancomycin;Vancomycin pseudoaglycone;Devancosaminyl-vancomycin"	"C59H62Cl2N8O22"	"1304.3356"	"M+K+CF3COOH"	152.95602
"806243"	1447.4302	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M"	0
"975035"	1428.41181	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-H2O-H"	-19.01839
"65829"	963.946190666667	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M-3H"	-3.021828
"516697"	1446.422924	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M-3H"	-3.021828
"895113"	481.469457333333	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-3H"	-3.021828
"10520"	1446.422924	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H"	-2.014552
"452267"	2170.138024	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H"	-2.014552
"828976"	722.707824	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H"	-2.014552
"92247"	2893.853124	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M-H"	-1.007276
"533517"	4341.283324	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M-H"	-1.007276
"909490"	1446.422924	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-H"	-1.007276
"60584"	2910.879671	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H+NH4"	16.019271
"501727"	4358.309871	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H+NH4"	16.019271
"878798"	1463.449471	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H+NH4"	16.019271
"45848"	2915.835066	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H+Na"	20.974666
"486390"	4363.265266	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H+Na"	20.974666
"863342"	1468.404866	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H+Na"	20.974666
"1633483"	1468.404866	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na-2H"	20.974666
"107209"	1464.411263	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M-H+Cl"	33.962126
"545679"	2188.126363	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M-H+Cl"	33.962126
"934826"	740.696163	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+Cl"	33.962126
"273382"	2929.829802	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Cl"	34.969402
"663616"	4377.260002	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+Cl"	34.969402
"1283673"	1482.399602	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl"	34.969402
"28418"	2931.809006	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M-2H+K"	36.948606
"467978"	4379.239206	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M-2H+K"	36.948606
"843592"	1484.378806	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-2H+K"	36.948606
"1563799"	1484.378806	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+K-2H"	36.948606
"956057"	1492.428394	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+HCOOH"	44.998194
"369897"	2939.858601	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+HCOOH-H"	44.998201
"355969"	2953.874251	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Hac-H"	59.013851
"1501520"	1506.444051	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Hac-H"	59.013851
"967968"	1514.410351	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+NaCOOH"	66.980151
"117969"	1482.399602	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2Cl"	69.938804
"555343"	2206.114702	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2Cl"	69.938804
"1024505"	758.684502	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2Cl"	69.938804
"1244817"	1526.349085	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Br"	78.918885
"1319781"	1528.405072	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl+HCOOH"	80.974872
"1334977"	1550.387029	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl+NaCOOH"	102.956829
"926034"	1560.415786	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M-H+CF3COOH"	112.985586
"1303962"	1596.392464	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Cl+CF3COOH"	148.962264
"1380908"	1412.417524	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H-2H2O"	-35.012676
"1394395"	1430.4275	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H-H2O"	-17.0027
"291164"	2895.867676	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H"	1.007276
"685773"	4343.297876	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H"	1.007276
"1361025"	1448.437476	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H"	1.007276
"132822"	1448.437476	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2H"	2.014552
"573476"	2172.152576	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2H"	2.014552
"1045555"	724.722376	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2H"	2.014552
"209444"	965.960742666667	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+3H"	3.021828
"658131"	1448.437476	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+3H"	3.021828
"1175161"	483.484009333333	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+3H"	3.021828
"436974"	2912.894223	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+NH4"	18.033823
"795054"	4360.324423	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+NH4"	18.033823
"1691748"	1465.464023	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+NH4"	18.033823
"343308"	1456.9507495	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H+NH4"	19.041099
"731354"	2180.6658495	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H+NH4"	19.041099
"1484079"	733.2356495	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+NH4"	19.041099
"404953"	2917.849618	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Na"	22.989218
"761571"	4365.279818	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+Na"	22.989218
"1610763"	1470.419418	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na"	22.989218
"326271"	1459.428447	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H+Na"	23.996494
"719420"	2183.143547	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H+Na"	23.996494
"1473604"	735.713347	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+Na"	23.996494
"1065031"	490.811323333333	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2H+Na"	25.00377
"1270354"	1480.463686	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+CH3OH+H"	33.033486
"388562"	2933.823558	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+K"	38.963158
"748099"	4381.253758	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+K"	38.963158
"1549057"	1486.393358	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+K"	38.963158
"307325"	1467.415417	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+H+K"	39.970434
"696465"	2191.130517	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+H+K"	39.970434
"1449191"	743.700317	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+K"	39.970434
"242167"	2936.894226	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+ACN+H"	42.033826
"1214509"	1489.464026	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+ACN+H"	42.033826
"1203133"	745.235651	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+ACN+2H"	43.041102
"198190"	2939.83156	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2Na-H"	44.97116
"632284"	4387.26176	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2Na-H"	44.97116
"1136521"	1492.40136	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2Na-H"	44.97116
"179083"	1470.419418	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2Na"	45.978436
"621924"	2194.134518	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2Na"	45.978436
"1122152"	746.704318	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2Na"	45.978436
"1403854"	498.138637333333	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+2Na"	46.985712
"1439982"	1494.442946	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+HCOOH"	47.012746
"233811"	1475.45244	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+3H2O+2H"	56.04448
"1521513"	1508.49499	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+IsoProp+H"	61.06479
"415244"	1478.406388	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+Na+K"	61.952376
"777331"	2202.121488	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+Na+K"	61.952376
"1673662"	754.691288	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na+K"	61.952376
"256536"	2958.876168	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+ACN+Na"	64.015768
"1231071"	1511.445968	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+ACN+Na"	64.015768
"1718500"	1511.469493	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+NH4+HCOOH"	64.039293
"1183856"	505.465951333333	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+3Na"	68.967654
"1658124"	1516.424888	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na+HCOOH"	68.994688
"163892"	2971.77944	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2K-H"	76.91904
"605640"	4419.20964	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2K-H"	76.91904
"1089057"	1524.34924	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2K-H"	76.91904
"154261"	1486.393358	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"2M+2K"	77.926316
"594186"	2210.108458	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"3M+2K"	77.926316
"1080885"	762.678258	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2K"	77.926316
"1110812"	1526.363792	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2K+H"	78.933592
"1349144"	1526.451407	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+DMSO+H"	79.021207
"1019010"	1530.490576	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2ACN+H"	83.060376
"1538959"	1531.484208	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+IsoProp+Na+H"	84.054008
"1005571"	765.748926	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+2ACN+2H"	84.067652
"1601975"	1532.398828	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+K+HCOOH"	84.968628
"1428126"	1562.430338	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+H+CF3COOH"	115.000138
"1157318"	786.262201	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+3ACN+2H"	125.094202
"1704684"	1579.456885	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+NH4+CF3COOH"	132.026685
"1647994"	1584.41228	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+Na+CF3COOH"	136.98208
"1585827"	1600.38622	"C20721"	"Chloroorienticin B"	"C66H75Cl2N9O24"	"1447.4302"	"M+K+CF3COOH"	152.95602
"809635"	204.1878	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M"	0
"979887"	185.16941	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"77246"	135.117924	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"510973"	203.180524	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892785"	67.055324	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"15618"	203.180524	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"455258"	305.274424	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"832133"	101.086624	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"93989"	407.368324	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"533622"	611.556124	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"909600"	203.180524	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"62282"	424.394871	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"502090"	628.582671	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"879161"	220.207071	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"46089"	429.350266	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"485529"	633.538066	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"862721"	225.162466	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1624235"	225.162466	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"99673"	221.168863	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"535954"	323.262763	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"936031"	119.074963	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"276773"	443.345002	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"670286"	647.532802	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1280504"	239.157202	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"24152"	445.324206	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"466995"	649.512006	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"838234"	241.136406	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1563909"	241.136406	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"952887"	249.185994	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"368914"	453.373801	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"352800"	467.389451	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499445"	263.201651	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"972092"	271.167951	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"123919"	239.157202	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"560926"	341.251102	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1036293"	137.063302	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1255873"	283.106685	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1317229"	285.162672	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1332537"	307.144629	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"920314"	317.173386	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1298113"	353.150064	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1378465"	169.175124	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1390492"	187.1851	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"286899"	409.382876	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"676404"	613.570676	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1352388"	205.195076	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H"	1.007276
"126244"	205.195076	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"576870"	307.288976	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1049685"	103.101176	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"218682"	137.132476	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"658242"	205.195076	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1174905"	69.069876	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438179"	426.409423	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"798443"	630.597223	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1688577"	222.221623	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"342322"	213.7083495	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"733653"	315.8022495	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1490758"	111.6144495	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"406156"	431.364818	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"761681"	635.552618	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1617438"	227.177018	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"325284"	216.186047	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"721354"	318.279947	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1475909"	114.092147	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1067695"	76.39719	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1270462"	237.221286	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"391589"	447.338758	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"751854"	651.526558	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1552083"	243.150958	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+K"	38.963158
"309621"	224.173017	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700948"	326.266917	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1458047"	122.079117	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"246649"	450.409426	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1213161"	246.221626	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1195954"	123.614451	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"194295"	453.34676	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"637865"	657.53456	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1139185"	249.15896	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"182475"	227.177018	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"623131"	329.270918	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1123357"	125.083118	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1412963"	83.724504	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1442281"	251.200546	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"230884"	232.21004	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1520041"	265.25259	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"419725"	235.163988	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"782543"	337.257888	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1674864"	133.070088	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"256646"	472.391368	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1230086"	268.203568	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1717516"	268.227093	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1183961"	91.051818	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659326"	273.182488	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"161815"	485.29464	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"611589"	689.48244	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1091358"	281.10684	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"154371"	243.150958	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"589921"	345.244858	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1078806"	141.057058	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1113354"	283.121392	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1344026"	283.209007	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1018027"	287.248176	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1536155"	288.241808	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"1004309"	144.127726	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1601119"	289.156428	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1427144"	319.187938	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1158524"	164.641001	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1703702"	336.214485	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641540"	341.16988	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1576098"	357.14382	"C20724"	"()-Thujopsene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"809745"	946.5501	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M"	0
"974334"	927.53171	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-H2O-H"	-19.01839
"75897"	630.026124	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M-3H"	-3.021828
"513270"	945.542824	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M-3H"	-3.021828
"889979"	314.509424	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-3H"	-3.021828
"15284"	945.542824	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M-2H"	-2.014552
"455043"	1418.817874	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M-2H"	-2.014552
"832718"	472.267774	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-2H"	-2.014552
"93201"	1892.092924	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M-H"	-1.007276
"533127"	2838.643024	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M-H"	-1.007276
"907644"	945.542824	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-H"	-1.007276
"62266"	1909.119471	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M-2H+NH4"	16.019271
"502569"	2855.669571	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M-2H+NH4"	16.019271
"879677"	962.569371	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-2H+NH4"	16.019271
"46767"	1914.074866	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M-2H+Na"	20.974666
"486367"	2860.624966	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M-2H+Na"	20.974666
"863195"	967.524766	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-2H+Na"	20.974666
"1625440"	967.524766	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Na-2H"	20.974666
"100876"	963.531163	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M-H+Cl"	33.962126
"536428"	1436.806213	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M-H+Cl"	33.962126
"935048"	490.256113	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-H+Cl"	33.962126
"272509"	1928.069602	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+Cl"	34.969402
"667116"	2874.619702	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+Cl"	34.969402
"1283892"	981.519502	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Cl"	34.969402
"24262"	1930.048806	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M-2H+K"	36.948606
"468196"	2876.598906	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M-2H+K"	36.948606
"838344"	983.498706	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-2H+K"	36.948606
"1560739"	983.498706	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+K-2H"	36.948606
"952998"	991.548294	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-H+HCOOH"	44.998194
"369024"	1938.098401	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+HCOOH-H"	44.998201
"355097"	1952.114051	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+Hac-H"	59.013851
"1499556"	1005.563951	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Hac-H"	59.013851
"972567"	1013.530251	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-H+NaCOOH"	66.980151
"124029"	981.519502	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+2Cl"	69.938804
"561036"	1454.794552	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+2Cl"	69.938804
"1034217"	508.244452	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2Cl"	69.938804
"1255982"	1025.468985	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Br"	78.918885
"1317339"	1027.524972	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Cl+HCOOH"	80.974872
"1330459"	1049.506929	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Cl+NaCOOH"	102.956829
"917143"	1059.535686	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M-H+CF3COOH"	112.985586
"1294942"	1095.512364	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Cl+CF3COOH"	148.962264
"1377480"	911.537424	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H-2H2O"	-35.012676
"1390601"	929.5474	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H-H2O"	-17.0027
"285913"	1894.107476	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+H"	1.007276
"677240"	2840.657576	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+H"	1.007276
"1353225"	947.557376	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H"	1.007276
"127569"	947.557376	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+2H"	2.014552
"578073"	1420.832426	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+2H"	2.014552
"1049066"	474.282326	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2H"	2.014552
"218790"	632.040676	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+3H"	3.021828
"658593"	947.557376	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+3H"	3.021828
"1175744"	316.523976	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+3H"	3.021828
"437194"	1911.134023	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+NH4"	18.033823
"796731"	2857.684123	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+NH4"	18.033823
"1688687"	964.583923	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+NH4"	18.033823
"338058"	956.0706495	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+H+NH4"	19.041099
"733399"	1429.3456995	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+H+NH4"	19.041099
"1491231"	482.7955995	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H+NH4"	19.041099
"408086"	1916.089418	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+Na"	22.989218
"761791"	2862.639518	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+Na"	22.989218
"1618123"	969.539318	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Na"	22.989218
"325394"	958.548347	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+H+Na"	23.996494
"721464"	1431.823397	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+H+Na"	23.996494
"1476547"	485.273297	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H+Na"	23.996494
"1068047"	323.85129	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2H+Na"	25.00377
"1269843"	979.583586	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+CH3OH+H"	33.033486
"392632"	1932.063358	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+K"	38.963158
"750141"	2878.613458	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+K"	38.963158
"1554016"	985.513258	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+K"	38.963158
"311191"	966.535317	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+H+K"	39.970434
"702152"	1439.810367	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+H+K"	39.970434
"1457064"	493.260267	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H+K"	39.970434
"246759"	1935.134026	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+ACN+H"	42.033826
"1215095"	988.583926	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+ACN+H"	42.033826
"1196185"	494.795601	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+ACN+2H"	43.041102
"195134"	1938.07136	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+2Na-H"	44.97116
"639070"	2884.62146	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+2Na-H"	44.97116
"1141117"	991.52126	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2Na-H"	44.97116
"183314"	969.539318	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+2Na"	45.978436
"626522"	1442.814368	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+2Na"	45.978436
"1126747"	496.264268	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2Na"	45.978436
"1413193"	331.178604	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H+2Na"	46.985712
"1440204"	993.562846	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H+HCOOH"	47.012746
"229900"	974.57234	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+3H2O+2H"	56.04448
"1520150"	1007.61489	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+IsoProp+H"	61.06479
"420930"	977.526288	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+Na+K"	61.952376
"780831"	1450.801338	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+Na+K"	61.952376
"1672056"	504.251238	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Na+K"	61.952376
"258214"	1957.115968	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+ACN+Na"	64.015768
"1232019"	1010.565868	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+ACN+Na"	64.015768
"1718720"	1010.589393	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+NH4+HCOOH"	64.039293
"1182249"	338.505918	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+3Na"	68.967654
"1656156"	1015.544788	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Na+HCOOH"	68.994688
"161925"	1970.01924	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+2K-H"	76.91904
"610239"	2916.56934	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+2K-H"	76.91904
"1091468"	1023.46914	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2K-H"	76.91904
"154845"	985.513258	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"2M+2K"	77.926316
"592219"	1458.788308	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"3M+2K"	77.926316
"1080011"	512.238208	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2K"	77.926316
"1104472"	1025.483692	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2K+H"	78.933592
"1344136"	1025.571307	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+DMSO+H"	79.021207
"1017044"	1029.610476	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2ACN+H"	83.060376
"1538453"	1030.604108	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+IsoProp+Na+H"	84.054008
"1003809"	515.308876	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+2ACN+2H"	84.067652
"1597218"	1031.518728	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+K+HCOOH"	84.968628
"1426159"	1061.550238	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+H+CF3COOH"	115.000138
"1155354"	535.822151	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+3ACN+2H"	125.094202
"1703812"	1078.576785	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+NH4+CF3COOH"	132.026685
"1639463"	1083.53218	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+Na+CF3COOH"	136.98208
"1576208"	1099.50612	"C20725"	"Ginsenoside Rd"	"C48H82O18"	"946.5501"	"M+K+CF3COOH"	152.95602
"812042"	306.0505	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M"	0
"975367"	287.03211	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-H2O-H"	-19.01839
"76007"	203.026390666667	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M-3H"	-3.021828
"513380"	305.043224	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M-3H"	-3.021828
"890089"	101.009557333333	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-3H"	-3.021828
"15437"	305.043224	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M-2H"	-2.014552
"450411"	458.068474	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M-2H"	-2.014552
"832559"	152.017974	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-2H"	-2.014552
"92579"	611.093724	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M-H"	-1.007276
"532383"	917.144224	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M-H"	-1.007276
"907754"	305.043224	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-H"	-1.007276
"62376"	628.120271	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M-2H+NH4"	16.019271
"502551"	934.170771	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M-2H+NH4"	16.019271
"879626"	322.069771	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-2H+NH4"	16.019271
"46508"	633.075666	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M-2H+Na"	20.974666
"486230"	939.126166	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M-2H+Na"	20.974666
"861843"	327.025166	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-2H+Na"	20.974666
"1626643"	327.025166	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Na-2H"	20.974666
"100986"	323.031563	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M-H+Cl"	33.962126
"538359"	476.056813	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M-H+Cl"	33.962126
"935158"	170.006313	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-H+Cl"	33.962126
"272983"	647.070402	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+Cl"	34.969402
"667226"	953.120902	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+Cl"	34.969402
"1284002"	341.019902	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Cl"	34.969402
"21092"	649.049606	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M-2H+K"	36.948606
"465026"	955.100106	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M-2H+K"	36.948606
"837361"	342.999106	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-2H+K"	36.948606
"1563035"	342.999106	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+K-2H"	36.948606
"952014"	351.048694	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-H+HCOOH"	44.998194
"370227"	657.099201	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+HCOOH-H"	44.998201
"355206"	671.114851	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+Hac-H"	59.013851
"1501123"	365.064351	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Hac-H"	59.013851
"972676"	373.030651	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-H+NaCOOH"	66.980151
"122680"	341.019902	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+2Cl"	69.938804
"561146"	494.045152	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+2Cl"	69.938804
"1036272"	187.994652	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2Cl"	69.938804
"1256335"	384.969385	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Br"	78.918885
"1317449"	387.025372	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Cl+HCOOH"	80.974872
"1330570"	409.007329	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Cl+NaCOOH"	102.956829
"919439"	419.036086	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M-H+CF3COOH"	112.985586
"1295053"	455.012764	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Cl+CF3COOH"	148.962264
"1377590"	271.037824	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H-2H2O"	-35.012676
"1390711"	289.0478	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H-H2O"	-17.0027
"285660"	613.108276	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+H"	1.007276
"677714"	919.158776	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+H"	1.007276
"1354428"	307.057776	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H"	1.007276
"128042"	307.057776	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+2H"	2.014552
"577090"	460.083026	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+2H"	2.014552
"1046989"	154.032526	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2H"	2.014552
"218535"	205.040942666667	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+3H"	3.021828
"657731"	307.057776	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+3H"	3.021828
"1176220"	103.024109333333	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+3H"	3.021828
"437669"	630.134823	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+NH4"	18.033823
"794654"	936.185323	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+NH4"	18.033823
"1689891"	324.084323	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+NH4"	18.033823
"337075"	315.5710495	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+H+NH4"	19.041099
"728404"	468.5962995	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+H+NH4"	19.041099
"1483319"	162.5457995	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H+NH4"	19.041099
"405280"	635.090218	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+Na"	22.989218
"760807"	941.140718	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+Na"	22.989218
"1618357"	329.039718	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Na"	22.989218
"329276"	318.048747	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+H+Na"	23.996494
"721898"	471.073997	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+H+Na"	23.996494
"1476777"	165.023497	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H+Na"	23.996494
"1066453"	110.351423333333	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2H+Na"	25.00377
"1269224"	339.083986	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+CH3OH+H"	33.033486
"389255"	651.064158	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+K"	38.963158
"754118"	957.114658	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+K"	38.963158
"1553760"	345.013658	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+K"	38.963158
"309113"	326.035717	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+H+K"	39.970434
"701169"	479.060967	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+H+K"	39.970434
"1454987"	173.010467	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H+K"	39.970434
"246869"	654.134826	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+ACN+H"	42.033826
"1215204"	348.084326	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+ACN+H"	42.033826
"1197267"	174.545801	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+ACN+2H"	43.041102
"196337"	657.07216	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+2Na-H"	44.97116
"641732"	963.12266	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+2Na-H"	44.97116
"1140134"	351.02166	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2Na-H"	44.97116
"182695"	329.039718	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+2Na"	45.978436
"626632"	482.064968	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+2Na"	45.978436
"1126857"	176.014468	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2Na"	45.978436
"1413548"	117.678737333333	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H+2Na"	46.985712
"1443594"	353.063246	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H+HCOOH"	47.012746
"230011"	334.07274	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+3H2O+2H"	56.04448
"1523540"	367.11529	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+IsoProp+H"	61.06479
"423227"	337.026688	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+Na+K"	61.952376
"783127"	490.051938	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+Na+K"	61.952376
"1679457"	184.001438	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Na+K"	61.952376
"260511"	676.116768	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+ACN+Na"	64.015768
"1233222"	370.066268	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+ACN+Na"	64.015768
"1721016"	370.089793	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+NH4+HCOOH"	64.039293
"1182723"	125.006051333333	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+3Na"	68.967654
"1656266"	375.045188	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Na+HCOOH"	68.994688
"162035"	689.02004	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+2K-H"	76.91904
"611441"	995.07054	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+2K-H"	76.91904
"1094857"	382.96954	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2K-H"	76.91904
"153859"	345.013658	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"2M+2K"	77.926316
"595003"	498.038908	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"3M+2K"	77.926316
"1082308"	191.988408	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2K"	77.926316
"1106768"	384.984092	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2K+H"	78.933592
"1344246"	385.071707	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+DMSO+H"	79.021207
"1020192"	389.110876	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2ACN+H"	83.060376
"1538563"	390.104508	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+IsoProp+Na+H"	84.054008
"1004770"	195.059076	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+2ACN+2H"	84.067652
"1597328"	391.019128	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+K+HCOOH"	84.968628
"1426269"	421.050638	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+H+CF3COOH"	115.000138
"1153277"	215.572351	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+3ACN+2H"	125.094202
"1703922"	438.077185	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+NH4+CF3COOH"	132.026685
"1639573"	443.03258	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+Na+CF3COOH"	136.98208
"1576318"	459.00652	"C20726"	"Phenyl 5-phospho-alpha-D-ribofuranoside"	"C11H15O8P"	"306.0505"	"M+K+CF3COOH"	152.95602
"809965"	418.09	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M"	0
"975842"	399.07161	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-H2O-H"	-19.01839
"77214"	277.719390666667	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M-3H"	-3.021828
"517139"	417.082724	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M-3H"	-3.021828
"894209"	138.356057333333	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-3H"	-3.021828
"14976"	417.082724	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M-2H"	-2.014552
"455428"	626.127724	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M-2H"	-2.014552
"832581"	208.037724	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-2H"	-2.014552
"93785"	835.172724	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M-H"	-1.007276
"532251"	1253.262724	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M-H"	-1.007276
"907865"	417.082724	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-H"	-1.007276
"62121"	852.199271	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M-2H+NH4"	16.019271
"502704"	1270.289271	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M-2H+NH4"	16.019271
"875232"	434.109271	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-2H+NH4"	16.019271
"40947"	857.154666	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M-2H+Na"	20.974666
"485610"	1275.244666	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M-2H+Na"	20.974666
"859400"	439.064666	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-2H+Na"	20.974666
"1626753"	439.064666	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Na-2H"	20.974666
"105473"	435.071063	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M-H+Cl"	33.962126
"540659"	644.116063	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M-H+Cl"	33.962126
"933443"	226.026063	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-H+Cl"	33.962126
"269448"	871.149402	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+Cl"	34.969402
"661869"	1289.239402	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+Cl"	34.969402
"1280834"	453.059402	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Cl"	34.969402
"23392"	873.128606	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M-2H+K"	36.948606
"465138"	1291.218606	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M-2H+K"	36.948606
"839660"	455.038606	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-2H+K"	36.948606
"1567522"	455.038606	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+K-2H"	36.948606
"945563"	463.088194	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-H+HCOOH"	44.998194
"370339"	881.178201	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+HCOOH-H"	44.998201
"355316"	895.193851	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+Hac-H"	59.013851
"1501233"	477.103851	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Hac-H"	59.013851
"971694"	485.070151	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-H+NaCOOH"	66.980151
"120604"	453.059402	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+2Cl"	69.938804
"561621"	662.104402	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+2Cl"	69.938804
"1036260"	244.014402	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2Cl"	69.938804
"1256204"	497.008885	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Br"	78.918885
"1319341"	499.064872	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Cl+HCOOH"	80.974872
"1329587"	521.046829	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Cl+NaCOOH"	102.956829
"915904"	531.075586	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M-H+CF3COOH"	112.985586
"1292248"	567.052264	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Cl+CF3COOH"	148.962264
"1376607"	383.077324	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H-2H2O"	-35.012676
"1390821"	401.0873	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H-H2O"	-17.0027
"285041"	837.187276	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+H"	1.007276
"678554"	1255.277276	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+H"	1.007276
"1353081"	419.097276	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H"	1.007276
"125737"	419.097276	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+2H"	2.014552
"577201"	628.142276	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+2H"	2.014552
"1052203"	210.052276	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2H"	2.014552
"212811"	279.733942666667	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+3H"	3.021828
"653465"	419.097276	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+3H"	3.021828
"1174506"	140.370609333333	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+3H"	3.021828
"434863"	854.213823	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+NH4"	18.033823
"794763"	1272.303823	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+NH4"	18.033823
"1692918"	436.123823	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+NH4"	18.033823
"338280"	427.6105495	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+H+NH4"	19.041099
"735078"	636.6555495	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+H+NH4"	19.041099
"1491450"	218.5655495	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H+NH4"	19.041099
"406120"	859.169218	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+Na"	22.989218
"769061"	1277.259218	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+Na"	22.989218
"1618179"	441.079218	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Na"	22.989218
"328533"	430.088247	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+H+Na"	23.996494
"722252"	639.133247	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+H+Na"	23.996494
"1476644"	221.043247	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H+Na"	23.996494
"1065833"	147.697923333333	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2H+Na"	25.00377
"1268604"	451.123486	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+CH3OH+H"	33.033486
"387178"	875.143158	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+K"	38.963158
"751455"	1293.233158	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+K"	38.963158
"1554239"	457.053158	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+K"	38.963158
"308859"	438.075217	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+H+K"	39.970434
"699093"	647.120217	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+H+K"	39.970434
"1457651"	229.030217	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H+K"	39.970434
"247710"	878.213826	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+ACN+H"	42.033826
"1216407"	460.123826	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+ACN+H"	42.033826
"1197013"	230.565551	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+ACN+2H"	43.041102
"196449"	881.15116	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+2Na-H"	44.97116
"643059"	1299.24116	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+2Na-H"	44.97116
"1142432"	463.06116	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2Na-H"	44.97116
"182805"	441.079218	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+2Na"	45.978436
"628046"	650.124218	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+2Na"	45.978436
"1123687"	232.034218	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2Na"	45.978436
"1413697"	155.025237333333	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H+2Na"	46.985712
"1442247"	465.102746	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H+HCOOH"	47.012746
"233039"	446.11224	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+3H2O+2H"	56.04448
"1521101"	479.15479	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+IsoProp+H"	61.06479
"422974"	449.066188	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+Na+K"	61.952376
"782144"	658.111188	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+Na+K"	61.952376
"1676288"	240.021188	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Na+K"	61.952376
"260621"	900.195768	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+ACN+Na"	64.015768
"1235520"	482.105768	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+ACN+Na"	64.015768
"1721127"	482.129293	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+NH4+HCOOH"	64.039293
"1184291"	162.352551333333	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+3Na"	68.967654
"1656376"	487.084688	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Na+HCOOH"	68.994688
"162145"	913.09904	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+2K-H"	76.91904
"611552"	1331.18904	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+2K-H"	76.91904
"1099671"	495.00904	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2K-H"	76.91904
"153972"	457.053158	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"2M+2K"	77.926316
"592439"	666.098158	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"3M+2K"	77.926316
"1080231"	248.008158	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2K"	77.926316
"1107971"	497.023592	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2K+H"	78.933592
"1344356"	497.111207	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+DMSO+H"	79.021207
"1016171"	501.150376	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2ACN+H"	83.060376
"1539610"	502.144008	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+IsoProp+Na+H"	84.054008
"1005001"	251.078826	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+2ACN+2H"	84.067652
"1598531"	503.058628	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+K+HCOOH"	84.968628
"1428566"	533.090138	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+H+CF3COOH"	115.000138
"1150472"	271.592101	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+3ACN+2H"	125.094202
"1707312"	550.116685	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+NH4+CF3COOH"	132.026685
"1638590"	555.07208	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+Na+CF3COOH"	136.98208
"1576428"	571.04602	"C20727"	"Kaempferol 3-O-beta-D-xyloside"	"C20H18O10"	"418.09"	"M+K+CF3COOH"	152.95602
"814453"	583.3298	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M"	0
"983611"	564.31141	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-H2O-H"	-19.01839
"76957"	387.879257333333	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M-3H"	-3.021828
"515425"	582.322524	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M-3H"	-3.021828
"893835"	193.435990666667	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-3H"	-3.021828
"15087"	582.322524	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M-2H"	-2.014552
"453190"	873.987424	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M-2H"	-2.014552
"831964"	290.657624	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-2H"	-2.014552
"93415"	1165.652324	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M-H"	-1.007276
"533826"	1748.982124	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M-H"	-1.007276
"907980"	582.322524	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-H"	-1.007276
"61990"	1182.678871	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M-2H+NH4"	16.019271
"496447"	1766.008671	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M-2H+NH4"	16.019271
"877530"	599.349071	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-2H+NH4"	16.019271
"36686"	1187.634266	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M-2H+Na"	20.974666
"473330"	1770.964066	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M-2H+Na"	20.974666
"859521"	604.304466	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-2H+Na"	20.974666
"1626867"	604.304466	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Na-2H"	20.974666
"106676"	600.310863	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M-H+Cl"	33.962126
"549439"	891.975763	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M-H+Cl"	33.962126
"938658"	308.645963	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-H+Cl"	33.962126
"278309"	1201.629002	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+Cl"	34.969402
"664168"	1784.958802	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+Cl"	34.969402
"1274385"	618.299202	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Cl"	34.969402
"26783"	1203.608206	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M-2H+K"	36.948606
"464155"	1786.938006	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M-2H+K"	36.948606
"839771"	620.278406	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-2H+K"	36.948606
"1563258"	620.278406	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+K-2H"	36.948606
"950048"	628.327994	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-H+HCOOH"	44.998194
"373369"	1211.657801	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+HCOOH-H"	44.998201
"357254"	1225.673451	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+Hac-H"	59.013851
"1506451"	642.343651	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Hac-H"	59.013851
"965244"	650.309951	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-H+NaCOOH"	66.980151
"117433"	618.299202	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+2Cl"	69.938804
"562463"	909.964102	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+2Cl"	69.938804
"1035641"	326.634302	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2Cl"	69.938804
"1253033"	662.248685	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Br"	78.918885
"1312201"	664.304672	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Cl+HCOOH"	80.974872
"1328604"	686.286629	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Cl+NaCOOH"	102.956829
"921846"	696.315386	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M-H+CF3COOH"	112.985586
"1291628"	732.292064	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Cl+CF3COOH"	148.962264
"1371612"	548.317124	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H-2H2O"	-35.012676
"1386193"	566.3271	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H-H2O"	-17.0027
"285151"	1167.666876	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+H"	1.007276
"678664"	1750.996676	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+H"	1.007276
"1353191"	584.337076	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H"	1.007276
"139578"	584.337076	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+2H"	2.014552
"577315"	876.001976	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+2H"	2.014552
"1047208"	292.672176	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2H"	2.014552
"216932"	389.893809333333	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+3H"	3.021828
"657951"	584.337076	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+3H"	3.021828
"1174253"	195.450542666667	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+3H"	3.021828
"435702"	1184.693423	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+NH4"	18.033823
"797789"	1768.023223	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+NH4"	18.033823
"1690842"	601.363623	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+NH4"	18.033823
"336204"	592.8503495	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+H+NH4"	19.041099
"733730"	884.5152495	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+H+NH4"	19.041099
"1485727"	301.1854495	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H+NH4"	19.041099
"403315"	1189.648818	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+Na"	22.989218
"769420"	1772.978618	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+Na"	22.989218
"1616910"	606.319018	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Na"	22.989218
"328282"	595.328047	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+H+Na"	23.996494
"720339"	886.992947	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+H+Na"	23.996494
"1474157"	303.663147	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H+Na"	23.996494
"1064122"	202.777856666667	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2H+Na"	25.00377
"1271269"	616.363286	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+CH3OH+H"	33.033486
"391300"	1205.622758	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+K"	38.963158
"752297"	1788.952558	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+K"	38.963158
"1553255"	622.292958	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+K"	38.963158
"309700"	603.315017	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+H+K"	39.970434
"699203"	894.979917	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+H+K"	39.970434
"1450835"	311.650117	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H+K"	39.970434
"242720"	1208.693426	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+ACN+H"	42.033826
"1218711"	625.363626	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+ACN+H"	42.033826
"1204784"	313.185451	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+ACN+2H"	43.041102
"201667"	1211.63076	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+2Na-H"	44.97116
"642684"	1794.96056	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+2Na-H"	44.97116
"1145708"	628.30096	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2Na-H"	44.97116
"184746"	606.319018	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+2Na"	45.978436
"625401"	897.983918	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+2Na"	45.978436
"1125988"	314.654118	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2Na"	45.978436
"1408789"	210.105170666667	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H+2Na"	46.985712
"1441999"	630.342546	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H+HCOOH"	47.012746
"235218"	611.35204	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+3H2O+2H"	56.04448
"1517932"	644.39459	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+IsoProp+H"	61.06479
"416888"	614.305988	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+Na+K"	61.952376
"777882"	905.970888	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+Na+K"	61.952376
"1670936"	322.641088	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Na+K"	61.952376
"260738"	1230.675368	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+ACN+Na"	64.015768
"1227244"	647.345568	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+ACN+Na"	64.015768
"1721241"	647.369093	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+NH4+HCOOH"	64.039293
"1186595"	217.432484666667	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+3Na"	68.967654
"1655394"	652.324488	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Na+HCOOH"	68.994688
"166631"	1243.57864	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+2K-H"	76.91904
"610568"	1826.90844	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+2K-H"	76.91904
"1098239"	660.24884	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2K-H"	76.91904
"155055"	622.292958	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"2M+2K"	77.926316
"593643"	913.957858	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"3M+2K"	77.926316
"1083262"	330.628058	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2K"	77.926316
"1111368"	662.263392	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2K+H"	78.933592
"1342284"	662.351007	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+DMSO+H"	79.021207
"1020658"	666.390176	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2ACN+H"	83.060376
"1532223"	667.383808	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+IsoProp+Na+H"	84.054008
"1000860"	333.698726	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+2ACN+2H"	84.067652
"1601561"	668.298428	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+K+HCOOH"	84.968628
"1423209"	698.329938	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+H+CF3COOH"	115.000138
"1156776"	354.212001	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+3ACN+2H"	125.094202
"1701954"	715.356485	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+NH4+CF3COOH"	132.026685
"1639794"	720.31188	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+Na+CF3COOH"	136.98208
"1572528"	736.28582	"C20731"	"Penitrem B"	"C37H45NO5"	"583.3298"	"M+K+CF3COOH"	152.95602
"813472"	946.5501	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M"	0
"983722"	927.53171	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-H2O-H"	-19.01839
"71968"	630.026124	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M-3H"	-3.021828
"516996"	945.542824	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M-3H"	-3.021828
"889330"	314.509424	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-3H"	-3.021828
"11185"	945.542824	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M-2H"	-2.014552
"453660"	1418.817874	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M-2H"	-2.014552
"832074"	472.267774	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-2H"	-2.014552
"87451"	1892.092924	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M-H"	-1.007276
"532116"	2838.643024	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M-H"	-1.007276
"908092"	945.542824	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-H"	-1.007276
"52625"	1909.119471	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M-2H+NH4"	16.019271
"492192"	2855.669571	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M-2H+NH4"	16.019271
"872180"	962.569371	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-2H+NH4"	16.019271
"41175"	1914.074866	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M-2H+Na"	20.974666
"481830"	2860.624966	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M-2H+Na"	20.974666
"862186"	967.524766	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-2H+Na"	20.974666
"1633304"	967.524766	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Na-2H"	20.974666
"108611"	963.531163	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M-H+Cl"	33.962126
"548174"	1436.806213	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M-H+Cl"	33.962126
"939499"	490.256113	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-H+Cl"	33.962126
"281464"	1928.069602	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+Cl"	34.969402
"675098"	2874.619702	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+Cl"	34.969402
"1285434"	981.519502	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Cl"	34.969402
"30178"	1930.048806	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M-2H+K"	36.948606
"470470"	2876.598906	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M-2H+K"	36.948606
"844624"	983.498706	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-2H+K"	36.948606
"1567020"	983.498706	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+K-2H"	36.948606
"953079"	991.548294	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-H+HCOOH"	44.998194
"368377"	1938.098401	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+HCOOH-H"	44.998201
"356637"	1952.114051	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+Hac-H"	59.013851
"1502191"	1005.563951	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Hac-H"	59.013851
"970468"	1013.530251	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-H+NaCOOH"	66.980151
"116460"	981.519502	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+2Cl"	69.938804
"556018"	1454.794552	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+2Cl"	69.938804
"1029192"	508.244452	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2Cl"	69.938804
"1246582"	1025.468985	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Br"	78.918885
"1309757"	1027.524972	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Cl+HCOOH"	80.974872
"1324700"	1049.506929	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Cl+NaCOOH"	102.956829
"920863"	1059.535686	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M-H+CF3COOH"	112.985586
"1294654"	1095.512364	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Cl+CF3COOH"	148.962264
"1373545"	911.537424	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H-2H2O"	-35.012676
"1385939"	929.5474	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H-H2O"	-17.0027
"291832"	1894.107476	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+H"	1.007276
"683159"	2840.657576	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+H"	1.007276
"1359507"	947.557376	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H"	1.007276
"132396"	947.557376	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+2H"	2.014552
"570864"	1420.832426	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+2H"	2.014552
"1045130"	474.282326	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2H"	2.014552
"215218"	632.040676	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+3H"	3.021828
"651498"	947.557376	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+3H"	3.021828
"1171810"	316.523976	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+3H"	3.021828
"428522"	1911.134023	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+NH4"	18.033823
"791708"	2857.684123	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+NH4"	18.033823
"1694236"	964.583923	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+NH4"	18.033823
"338503"	956.0706495	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+H+NH4"	19.041099
"738345"	1429.3456995	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+H+NH4"	19.041099
"1492163"	482.7955995	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H+NH4"	19.041099
"406347"	1916.089418	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+Na"	22.989218
"767342"	2862.639518	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+Na"	22.989218
"1617752"	969.539318	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Na"	22.989218
"324748"	958.548347	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+H+Na"	23.996494
"719355"	1431.823397	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+H+Na"	23.996494
"1474269"	485.273297	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H+Na"	23.996494
"1064232"	323.85129	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2H+Na"	25.00377
"1263725"	979.583586	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+CH3OH+H"	33.033486
"387763"	1932.063358	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+K"	38.963158
"749488"	2878.613458	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+K"	38.963158
"1545708"	985.513258	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+K"	38.963158
"302521"	966.535317	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+H+K"	39.970434
"705517"	1439.810367	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+H+K"	39.970434
"1459704"	493.260267	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H+K"	39.970434
"249762"	1935.134026	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+ACN+H"	42.033826
"1225031"	988.583926	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+ACN+H"	42.033826
"1209395"	494.795601	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+ACN+2H"	43.041102
"202509"	1938.07136	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+2Na-H"	44.97116
"641712"	2884.62146	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+2Na-H"	44.97116
"1144485"	991.52126	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2Na-H"	44.97116
"184131"	969.539318	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+2Na"	45.978436
"622964"	1442.814368	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+2Na"	45.978436
"1125740"	496.264268	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2Na"	45.978436
"1409627"	331.178604	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H+2Na"	46.985712
"1439921"	993.562846	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H+HCOOH"	47.012746
"231804"	974.57234	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+3H2O+2H"	56.04448
"1517679"	1007.61489	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+IsoProp+H"	61.06479
"415908"	977.526288	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+Na+K"	61.952376
"774716"	1450.801338	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+Na+K"	61.952376
"1673232"	504.251238	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Na+K"	61.952376
"266938"	1957.115968	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+ACN+Na"	64.015768
"1240854"	1010.565868	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+ACN+Na"	64.015768
"1727920"	1010.589393	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+NH4+HCOOH"	64.039293
"1193399"	338.505918	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+3Na"	68.967654
"1664260"	1015.544788	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Na+HCOOH"	68.994688
"172461"	1970.01924	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+2K-H"	76.91904
"612509"	2916.56934	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+2K-H"	76.91904
"1099532"	1023.46914	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2K-H"	76.91904
"155293"	985.513258	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"2M+2K"	77.926316
"592667"	1458.788308	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"3M+2K"	77.926316
"1082645"	512.238208	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2K"	77.926316
"1111481"	1025.483692	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2K+H"	78.933592
"1343495"	1025.571307	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+DMSO+H"	79.021207
"1014215"	1029.610476	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2ACN+H"	83.060376
"1534526"	1030.604108	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+IsoProp+Na+H"	84.054008
"997692"	515.308876	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+2ACN+2H"	84.067652
"1595474"	1031.518728	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+K+HCOOH"	84.968628
"1416759"	1061.550238	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+H+CF3COOH"	115.000138
"1153612"	535.822151	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+3ACN+2H"	125.094202
"1707540"	1078.576785	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+NH4+CF3COOH"	132.026685
"1647565"	1083.53218	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+Na+CF3COOH"	136.98208
"1576654"	1099.50612	"C20736"	"Gypenoside XVII;Ginsenoside XVII"	"C48H82O18"	"946.5501"	"M+K+CF3COOH"	152.95602
"814675"	396.3028	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M"	0
"982740"	377.28441	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-H2O-H"	-19.01839
"75359"	263.194590666667	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M-3H"	-3.021828
"516742"	395.295524	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M-3H"	-3.021828
"892723"	131.093657333333	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-3H"	-3.021828
"10932"	395.295524	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M-2H"	-2.014552
"454865"	593.446924	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M-2H"	-2.014552
"831209"	197.144124	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-2H"	-2.014552
"90841"	791.598324	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M-H"	-1.007276
"532226"	1187.901124	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M-H"	-1.007276
"908204"	395.295524	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-H"	-1.007276
"54922"	808.624871	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M-2H+NH4"	16.019271
"494490"	1204.927671	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M-2H+NH4"	16.019271
"872291"	412.322071	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-2H+NH4"	16.019271
"38003"	813.580266	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M-2H+Na"	20.974666
"477565"	1209.883066	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M-2H+Na"	20.974666
"853178"	417.277466	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-2H+Na"	20.974666
"1631832"	417.277466	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Na-2H"	20.974666
"106899"	413.283863	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M-H+Cl"	33.962126
"547677"	611.435263	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M-H+Cl"	33.962126
"938880"	215.132463	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-H+Cl"	33.962126
"280354"	827.575002	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+Cl"	34.969402
"669858"	1223.877802	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+Cl"	34.969402
"1277888"	431.272202	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Cl"	34.969402
"27008"	829.554206	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M-2H+K"	36.948606
"462193"	1225.857006	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M-2H+K"	36.948606
"842182"	433.251406	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-2H+K"	36.948606
"1568949"	433.251406	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+K-2H"	36.948606
"953553"	441.300994	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-H+HCOOH"	44.998194
"366298"	837.603801	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+HCOOH-H"	44.998201
"353468"	851.619451	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+Hac-H"	59.013851
"1497927"	455.316651	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Hac-H"	59.013851
"968392"	463.282951	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-H+NaCOOH"	66.980151
"115841"	431.272202	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+2Cl"	69.938804
"556129"	629.423602	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+2Cl"	69.938804
"1027844"	233.120802	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2Cl"	69.938804
"1245599"	475.221685	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Br"	78.918885
"1308046"	477.277672	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Cl+HCOOH"	80.974872
"1327729"	499.259629	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Cl+NaCOOH"	102.956829
"918787"	509.288386	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M-H+CF3COOH"	112.985586
"1294401"	545.265064	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Cl+CF3COOH"	148.962264
"1374749"	361.290124	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H-2H2O"	-35.012676
"1385685"	379.3001	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H-H2O"	-17.0027
"288662"	793.612876	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+H"	1.007276
"683269"	1189.915676	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+H"	1.007276
"1359253"	397.310076	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H"	1.007276
"136153"	397.310076	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+2H"	2.014552
"575713"	595.461476	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+2H"	2.014552
"1045606"	199.158676	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2H"	2.014552
"217880"	265.209142666667	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+3H"	3.021828
"650516"	397.310076	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+3H"	3.021828
"1171920"	133.108209333333	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+3H"	3.021828
"429725"	810.639423	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+NH4"	18.033823
"790724"	1206.942223	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+NH4"	18.033823
"1694711"	414.336623	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+NH4"	18.033823
"337519"	405.8233495	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+H+NH4"	19.041099
"735411"	603.9747495	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+H+NH4"	19.041099
"1491058"	207.6719495	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H+NH4"	19.041099
"405363"	815.594818	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+Na"	22.989218
"766722"	1211.897618	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+Na"	22.989218
"1617010"	419.292018	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Na"	22.989218
"328503"	408.301047	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+H+Na"	23.996494
"716184"	606.452447	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+H+Na"	23.996494
"1470005"	210.149647	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H+Na"	23.996494
"1061061"	140.435523333333	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2H+Na"	25.00377
"1264925"	429.336286	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+CH3OH+H"	33.033486
"386780"	831.568758	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+K"	38.963158
"748869"	1227.871558	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+K"	38.963158
"1545453"	435.265958	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+K"	38.963158
"308094"	416.288017	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+H+K"	39.970434
"696514"	614.439417	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+H+K"	39.970434
"1457260"	218.136617	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H+K"	39.970434
"250723"	834.639426	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+ACN+H"	42.033826
"1224409"	438.336626	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+ACN+H"	42.033826
"1209752"	219.671951	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+ACN+2H"	43.041102
"203960"	837.57676	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+2Na-H"	44.97116
"641822"	1233.87956	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+2Na-H"	44.97116
"1145324"	441.27396	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2Na-H"	44.97116
"185337"	419.292018	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+2Na"	45.978436
"624169"	617.443418	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+2Na"	45.978436
"1128767"	221.140618	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2Na"	45.978436
"1412653"	147.762837333333	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H+2Na"	46.985712
"1444041"	443.315546	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H+HCOOH"	47.012746
"231549"	424.32504	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+3H2O+2H"	56.04448
"1520338"	457.36759	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+IsoProp+H"	61.06479
"419664"	427.278988	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+Na+K"	61.952376
"777012"	625.430388	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+Na+K"	61.952376
"1674800"	229.127588	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Na+K"	61.952376
"259866"	856.621368	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+ACN+Na"	64.015768
"1230385"	460.318568	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+ACN+Na"	64.015768
"1717085"	460.342093	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+NH4+HCOOH"	64.039293
"1185717"	155.090151333333	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+3Na"	68.967654
"1658531"	465.297488	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Na+HCOOH"	68.994688
"159194"	869.52464	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+2K-H"	76.91904
"600942"	1265.82744	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+2K-H"	76.91904
"1086547"	473.22184	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2K-H"	76.91904
"154304"	435.265958	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"2M+2K"	77.926316
"596304"	633.417358	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"3M+2K"	77.926316
"1082395"	237.114558	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2K"	77.926316
"1115242"	475.236392	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2K+H"	78.933592
"1341418"	475.324007	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+DMSO+H"	79.021207
"1012138"	479.363176	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2ACN+H"	83.060376
"1534636"	480.356808	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+IsoProp+Na+H"	84.054008
"997803"	240.185226	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+2ACN+2H"	84.067652
"1592305"	481.271428	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+K+HCOOH"	84.968628
"1420150"	511.302938	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+H+CF3COOH"	115.000138
"1150442"	260.698501	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+3ACN+2H"	125.094202
"1707650"	528.329485	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+NH4+CF3COOH"	132.026685
"1645487"	533.28488	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+Na+CF3COOH"	136.98208
"1576763"	549.25882	"C20737"	"6-Geranylgeranyl-2-methylbenzene-14-diol"	"C27H40O2"	"396.3028"	"M+K+CF3COOH"	152.95602
"815516"	410.3185	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M"	0
"981757"	391.30011	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-H2O-H"	-19.01839
"75835"	272.538390666667	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M-3H"	-3.021828
"515032"	409.311224	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M-3H"	-3.021828
"892834"	135.765557333333	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-3H"	-3.021828
"11406"	409.311224	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M-2H"	-2.014552
"454246"	614.470474	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M-2H"	-2.014552
"830954"	204.151974	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-2H"	-2.014552
"92049"	819.629724	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M-H"	-1.007276
"530513"	1229.948224	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M-H"	-1.007276
"910501"	409.311224	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-H"	-1.007276
"57220"	836.656271	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M-2H+NH4"	16.019271
"494600"	1246.974771	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M-2H+NH4"	16.019271
"871307"	426.337771	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-2H+NH4"	16.019271
"37020"	841.611666	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M-2H+Na"	20.974666
"482050"	1251.930166	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M-2H+Na"	20.974666
"852195"	431.293166	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-2H+Na"	20.974666
"1633034"	431.293166	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Na-2H"	20.974666
"107009"	427.299563	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M-H+Cl"	33.962126
"546569"	632.458813	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M-H+Cl"	33.962126
"936802"	222.140313	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-H+Cl"	33.962126
"279735"	855.606402	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+Cl"	34.969402
"671062"	1265.924902	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+Cl"	34.969402
"1285289"	445.287902	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Cl"	34.969402
"27118"	857.585606	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M-2H+K"	36.948606
"462303"	1267.904106	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M-2H+K"	36.948606
"843385"	447.267106	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-2H+K"	36.948606
"1567966"	447.267106	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+K-2H"	36.948606
"955850"	455.316694	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-H+HCOOH"	44.998194
"367504"	865.635201	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+HCOOH-H"	44.998201
"359048"	879.650851	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+Hac-H"	59.013851
"1498037"	469.332351	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Hac-H"	59.013851
"968867"	477.298651	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-H+NaCOOH"	66.980151
"115588"	445.287902	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+2Cl"	69.938804
"558428"	650.447152	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+2Cl"	69.938804
"1026862"	240.128652	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2Cl"	69.938804
"1248991"	489.237385	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Br"	78.918885
"1304997"	491.293372	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Cl+HCOOH"	80.974872
"1323831"	513.275329	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Cl+NaCOOH"	102.956829
"915983"	523.304086	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M-H+CF3COOH"	112.985586
"1295607"	559.280764	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Cl+CF3COOH"	148.962264
"1374860"	375.305824	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H-2H2O"	-35.012676
"1389076"	393.3158	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H-H2O"	-17.0027
"289865"	821.644276	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+H"	1.007276
"682286"	1231.962776	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+H"	1.007276
"1361551"	411.325776	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H"	1.007276
"139544"	411.325776	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+2H"	2.014552
"571449"	616.485026	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+2H"	2.014552
"1048268"	206.166526	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2H"	2.014552
"216531"	274.552942666667	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+3H"	3.021828
"651718"	411.325776	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+3H"	3.021828
"1167657"	137.780109333333	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+3H"	3.021828
"427649"	838.670823	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+NH4"	18.033823
"790834"	1248.989323	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+NH4"	18.033823
"1688259"	428.352323	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+NH4"	18.033823
"336535"	419.8390495	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+H+NH4"	19.041099
"735521"	624.9982995	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+H+NH4"	19.041099
"1491532"	214.6797995	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H+NH4"	19.041099
"404744"	843.626218	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+Na"	22.989218
"765739"	1253.944718	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+Na"	22.989218
"1616025"	433.307718	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Na"	22.989218
"327153"	422.316747	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+H+Na"	23.996494
"714108"	627.475997	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+H+Na"	23.996494
"1470115"	217.157497	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H+Na"	23.996494
"1062264"	145.107423333333	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2H+Na"	25.00377
"1266129"	443.351986	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+CH3OH+H"	33.033486
"384703"	859.600158	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+K"	38.963158
"746792"	1269.918658	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+K"	38.963158
"1544835"	449.281658	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+K"	38.963158
"307111"	430.303717	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+H+K"	39.970434
"695530"	635.462967	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+H+K"	39.970434
"1454454"	225.144467	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H+K"	39.970434
"245242"	862.670826	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+ACN+H"	42.033826
"1225417"	452.352326	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+ACN+H"	42.033826
"1209373"	226.679801	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+ACN+2H"	43.041102
"203096"	865.60816	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+2Na-H"	44.97116
"641564"	1275.92666	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+2Na-H"	44.97116
"1145068"	455.28966	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2Na-H"	44.97116
"185810"	433.307718	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+2Na"	45.978436
"625008"	638.466968	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+2Na"	45.978436
"1129969"	228.148468	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2Na"	45.978436
"1410941"	152.434737333333	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H+2Na"	46.985712
"1443058"	457.331246	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H+HCOOH"	47.012746
"232388"	438.34074	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+3H2O+2H"	56.04448
"1519354"	471.38329	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+IsoProp+H"	61.06479
"418313"	441.294688	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+Na+K"	61.952376
"780040"	646.453938	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+Na+K"	61.952376
"1670173"	236.135438	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Na+K"	61.952376
"261436"	884.652768	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+ACN+Na"	64.015768
"1228311"	474.334268	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+ACN+Na"	64.015768
"1717197"	474.357793	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+NH4+HCOOH"	64.039293
"1183641"	159.762051333333	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+3Na"	68.967654
"1657912"	479.313188	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Na+HCOOH"	68.994688
"158695"	897.55604	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+2K-H"	76.91904
"598135"	1307.87454	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+2K-H"	76.91904
"1084955"	487.23754	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2K-H"	76.91904
"154414"	449.281658	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"2M+2K"	77.926316
"595685"	654.440908	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"3M+2K"	77.926316
"1082384"	244.122408	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2K"	77.926316
"1113888"	489.252092	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2K+H"	78.933592
"1346998"	489.339707	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+DMSO+H"	79.021207
"1016622"	493.378876	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2ACN+H"	83.060376
"1535841"	494.372508	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+IsoProp+Na+H"	84.054008
"1001194"	247.193076	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+2ACN+2H"	84.067652
"1592416"	495.287128	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+K+HCOOH"	84.968628
"1419167"	525.318638	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+H+CF3COOH"	115.000138
"1159300"	267.706351	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+3ACN+2H"	125.094202
"1712015"	542.345185	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+NH4+CF3COOH"	132.026685
"1649244"	547.30058	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+Na+CF3COOH"	136.98208
"1576874"	563.27452	"C20738"	"6-Geranylgeranyl-23-dimethylbenzene-14-diol"	"C28H42O2"	"410.3185"	"M+K+CF3COOH"	152.95602
"815988"	525.3302	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M"	0
"985147"	506.31181	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-H2O-H"	-19.01839
"75580"	349.212857333333	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M-3H"	-3.021828
"517327"	524.322924	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M-3H"	-3.021828
"892580"	174.102790666667	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-3H"	-3.021828
"13704"	524.322924	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M-2H"	-2.014552
"454722"	786.988024	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M-2H"	-2.014552
"832524"	261.657824	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-2H"	-2.014552
"89973"	1049.653124	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M-H"	-1.007276
"530989"	1574.983324	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M-H"	-1.007276
"908425"	524.322924	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-H"	-1.007276
"60613"	1066.679671	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M-2H+NH4"	16.019271
"495803"	1592.009871	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M-2H+NH4"	16.019271
"872510"	541.349471	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-2H+NH4"	16.019271
"36037"	1071.635066	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M-2H+Na"	20.974666
"477784"	1596.965266	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M-2H+Na"	20.974666
"850118"	546.304866	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-2H+Na"	20.974666
"1620746"	546.304866	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Na-2H"	20.974666
"107848"	542.311263	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M-H+Cl"	33.962126
"547408"	804.976363	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M-H+Cl"	33.962126
"939100"	279.646163	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-H+Cl"	33.962126
"278753"	1085.629802	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+Cl"	34.969402
"670079"	1610.960002	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+Cl"	34.969402
"1282483"	560.299602	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Cl"	34.969402
"25041"	1087.609006	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M-2H+K"	36.948606
"466788"	1612.939206	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M-2H+K"	36.948606
"841309"	562.278806	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-2H+K"	36.948606
"1566983"	562.278806	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+K-2H"	36.948606
"954867"	570.328394	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-H+HCOOH"	44.998194
"370894"	1095.658601	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+HCOOH-H"	44.998201
"359157"	1109.674251	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+Hac-H"	59.013851
"1504710"	584.344051	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Hac-H"	59.013851
"967882"	592.310351	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-H+NaCOOH"	66.980151
"116426"	560.299602	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+2Cl"	69.938804
"555257"	822.964702	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+2Cl"	69.938804
"1026241"	297.634502	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2Cl"	69.938804
"1244361"	604.249085	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Br"	78.918885
"1306809"	606.305072	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Cl+HCOOH"	80.974872
"1325033"	628.287029	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Cl+NaCOOH"	102.956829
"919009"	638.315786	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M-H+CF3COOH"	112.985586
"1295718"	674.292464	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Cl+CF3COOH"	148.962264
"1374970"	490.317524	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H-2H2O"	-35.012676
"1389186"	508.3275	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H-H2O"	-17.0027
"285600"	1051.667676	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+H"	1.007276
"681302"	1576.997876	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+H"	1.007276
"1356558"	526.337476	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H"	1.007276
"130542"	526.337476	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+2H"	2.014552
"568278"	789.002576	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+2H"	2.014552
"1039994"	263.672376	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2H"	2.014552
"211174"	351.227409333333	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+3H"	3.021828
"651827"	526.337476	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+3H"	3.021828
"1167767"	176.117342666667	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+3H"	3.021828
"425572"	1068.694223	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+NH4"	18.033823
"790944"	1594.024423	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+NH4"	18.033823
"1687273"	543.364023	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+NH4"	18.033823
"334457"	534.8507495	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+H+NH4"	19.041099
"731257"	797.5158495	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+H+NH4"	19.041099
"1490184"	272.1856495	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H+NH4"	19.041099
"402665"	1073.649618	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+Na"	22.989218
"766941"	1598.979818	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+Na"	22.989218
"1616500"	548.319418	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Na"	22.989218
"326898"	537.328447	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+H+Na"	23.996494
"715312"	799.993547	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+H+Na"	23.996494
"1470225"	274.663347	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H+Na"	23.996494
"1062375"	183.444656666667	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2H+Na"	25.00377
"1264054"	558.363686	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+CH3OH+H"	33.033486
"387000"	1089.623558	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+K"	38.963158
"749089"	1614.953758	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+K"	38.963158
"1544217"	564.293358	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+K"	38.963158
"301393"	545.315417	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+H+K"	39.970434
"697463"	807.980517	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+H+K"	39.970434
"1456751"	282.650317	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H+K"	39.970434
"245352"	1092.694226	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+ACN+H"	42.033826
"1223535"	567.364026	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+ACN+H"	42.033826
"1208877"	284.185651	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+ACN+2H"	43.041102
"202354"	1095.63156	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+2Na-H"	44.97116
"641674"	1620.96176	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+2Na-H"	44.97116
"1143356"	570.30136	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2Na-H"	44.97116
"185918"	548.319418	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+2Na"	45.978436
"626212"	810.984518	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+2Na"	45.978436
"1128986"	285.654318	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2Na"	45.978436
"1410688"	190.771970666667	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H+2Na"	46.985712
"1442074"	572.342946	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H+HCOOH"	47.012746
"231770"	553.35244	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+3H2O+2H"	56.04448
"1520560"	586.39499	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+IsoProp+H"	61.06479
"417330"	556.306388	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+Na+K"	61.952376
"780150"	818.971488	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+Na+K"	61.952376
"1675750"	293.641288	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Na+K"	61.952376
"263003"	1114.676168	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+ACN+Na"	64.015768
"1228421"	589.345968	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+ACN+Na"	64.015768
"1716214"	589.369493	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+NH4+HCOOH"	64.039293
"1184844"	198.099284666667	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+3Na"	68.967654
"1658022"	594.324888	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Na+HCOOH"	68.994688
"160507"	1127.57944	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+2K-H"	76.91904
"598975"	1652.90964	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+2K-H"	76.91904
"1087862"	602.24924	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2K-H"	76.91904
"155012"	564.293358	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"2M+2K"	77.926316
"596158"	826.958458	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"3M+2K"	77.926316
"1084194"	301.628258	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2K"	77.926316
"1113998"	604.263792	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2K+H"	78.933592
"1348201"	604.351407	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+DMSO+H"	79.021207
"1016733"	608.390576	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2ACN+H"	83.060376
"1534858"	609.384208	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+IsoProp+Na+H"	84.054008
"998023"	304.698926	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+2ACN+2H"	84.067652
"1592526"	610.298828	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+K+HCOOH"	84.968628
"1420371"	640.330338	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+H+CF3COOH"	115.000138
"1158317"	325.212201	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+3ACN+2H"	125.094202
"1711882"	657.356885	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+NH4+CF3COOH"	132.026685
"1649841"	662.31228	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+Na+CF3COOH"	136.98208
"1576984"	678.28622	"C20739"	"Neopikromycin"	"C28H47NO8"	"525.3302"	"M+K+CF3COOH"	152.95602
"815734"	541.3251	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M"	0
"977602"	522.30671	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-H2O-H"	-19.01839
"74600"	359.876124	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M-3H"	-3.021828
"517072"	540.317824	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M-3H"	-3.021828
"893785"	179.434424	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-3H"	-3.021828
"12357"	540.317824	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M-2H"	-2.014552
"454832"	810.980374	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M-2H"	-2.014552
"832272"	269.655274	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-2H"	-2.014552
"90812"	1081.642924	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M-H"	-1.007276
"531100"	1622.968024	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M-H"	-1.007276
"907081"	540.317824	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-H"	-1.007276
"59266"	1098.669471	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M-2H+NH4"	16.019271
"490445"	1639.994571	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M-2H+NH4"	16.019271
"870434"	557.344371	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-2H+NH4"	16.019271
"36147"	1103.624866	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M-2H+Na"	20.974666
"477894"	1644.949966	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M-2H+Na"	20.974666
"854604"	562.299766	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-2H+Na"	20.974666
"1620856"	562.299766	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Na-2H"	20.974666
"107229"	558.306163	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M-H+Cl"	33.962126
"546790"	828.968713	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M-H+Cl"	33.962126
"939210"	287.643613	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-H+Cl"	33.962126
"279956"	1117.619602	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+Cl"	34.969402
"673105"	1658.944702	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+Cl"	34.969402
"1283689"	576.294502	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Cl"	34.969402
"27338"	1119.598806	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M-2H+K"	36.948606
"466898"	1660.923906	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M-2H+K"	36.948606
"846886"	578.273706	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-2H+K"	36.948606
"1568186"	578.273706	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+K-2H"	36.948606
"957122"	586.323294	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-H+HCOOH"	44.998194
"374284"	1127.648401	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+HCOOH-H"	44.998201
"352702"	1141.664051	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+Hac-H"	59.013851
"1504820"	600.338951	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Hac-H"	59.013851
"964710"	608.305251	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-H+NaCOOH"	66.980151
"116901"	576.294502	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+2Cl"	69.938804
"555367"	846.957052	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+2Cl"	69.938804
"1025259"	305.631952	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2Cl"	69.938804
"1247025"	620.243985	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Br"	78.918885
"1306191"	622.299972	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Cl+HCOOH"	80.974872
"1324415"	644.281929	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Cl+NaCOOH"	102.956829
"920212"	654.310686	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M-H+CF3COOH"	112.985586
"1299108"	690.287364	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Cl+CF3COOH"	148.962264
"1376173"	506.312424	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H-2H2O"	-35.012676
"1389296"	524.3224	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H-H2O"	-17.0027
"286074"	1083.657476	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+H"	1.007276
"682143"	1624.982576	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+H"	1.007276
"1355575"	542.332376	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H"	1.007276
"127372"	542.332376	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+2H"	2.014552
"566930"	812.994926	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+2H"	2.014552
"1041198"	271.669826	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2H"	2.014552
"208004"	361.890676	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+3H"	3.021828
"651937"	542.332376	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+3H"	3.021828
"1167877"	181.448976	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+3H"	3.021828
"431149"	1100.684023	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+NH4"	18.033823
"792147"	1642.009123	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+NH4"	18.033823
"1686290"	559.358923	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+NH4"	18.033823
"334567"	550.8456495	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+H+NH4"	19.041099
"731366"	821.5081995	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+H+NH4"	19.041099
"1488471"	280.1830995	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H+NH4"	19.041099
"406055"	1105.639418	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+Na"	22.989218
"762676"	1646.964518	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+Na"	22.989218
"1615516"	564.314318	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Na"	22.989218
"326281"	553.323347	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+H+Na"	23.996494
"713235"	823.985897	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+H+Na"	23.996494
"1469607"	282.660797	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H+Na"	23.996494
"1061393"	188.77629	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2H+Na"	25.00377
"1263071"	574.358586	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+CH3OH+H"	33.033486
"383831"	1121.613358	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+K"	38.963158
"748106"	1662.938458	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+K"	38.963158
"1542507"	580.288258	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+K"	38.963158
"302962"	561.310317	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+H+K"	39.970434
"700489"	831.972867	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+H+K"	39.970434
"1459413"	290.647767	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H+K"	39.970434
"245098"	1124.684026	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+ACN+H"	42.033826
"1222917"	583.358926	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+ACN+H"	42.033826
"1209597"	292.183101	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+ACN+2H"	43.041102
"202949"	1127.62136	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+2Na-H"	44.97116
"642515"	1668.94646	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+2Na-H"	44.97116
"1142737"	586.29626	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2Na-H"	44.97116
"184934"	564.314318	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+2Na"	45.978436
"624135"	834.976868	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+2Na"	45.978436
"1129100"	293.651768	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2Na"	45.978436
"1410798"	196.103604	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H+2Na"	46.985712
"1439631"	588.337846	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H+HCOOH"	47.012746
"228598"	569.34734	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+3H2O+2H"	56.04448
"1515564"	602.38989	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+IsoProp+H"	61.06479
"417440"	572.301288	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+Na+K"	61.952376
"783907"	842.963838	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+Na+K"	61.952376
"1675860"	301.638738	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Na+K"	61.952376
"262385"	1146.665968	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+ACN+Na"	64.015768
"1229624"	605.340868	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+ACN+Na"	64.015768
"1717417"	605.364393	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+NH4+HCOOH"	64.039293
"1182038"	203.430918	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+3Na"	68.967654
"1653757"	610.319788	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Na+HCOOH"	68.994688
"161706"	1159.56924	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+2K-H"	76.91904
"602365"	1700.89434	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+2K-H"	76.91904
"1089063"	618.24414	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2K-H"	76.91904
"155243"	580.288258	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"2M+2K"	77.926316
"596756"	850.950808	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"3M+2K"	77.926316
"1083819"	309.625708	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2K"	77.926316
"1114107"	620.258692	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2K+H"	78.933592
"1348312"	620.346307	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+DMSO+H"	79.021207
"1016843"	624.385476	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2ACN+H"	83.060376
"1536061"	625.379108	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+IsoProp+Na+H"	84.054008
"998133"	312.696376	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+2ACN+2H"	84.067652
"1599196"	626.293728	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+K+HCOOH"	84.968628
"1428864"	656.325238	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+H+CF3COOH"	115.000138
"1155148"	333.209651	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+3ACN+2H"	125.094202
"1712355"	673.351785	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+NH4+CF3COOH"	132.026685
"1645817"	678.30718	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+Na+CF3COOH"	136.98208
"1577094"	694.28112	"C20740"	"Novapikromyin"	"C28H47NO9"	"541.3251"	"M+K+CF3COOH"	152.95602
"814022"	485.2989	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M"	0
"977712"	466.28051	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-H2O-H"	-19.01839
"75797"	322.525324	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M-3H"	-3.021828
"516088"	484.291624	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M-3H"	-3.021828
"892071"	160.759024	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-3H"	-3.021828
"12831"	484.291624	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M-2H"	-2.014552
"454092"	726.941074	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M-2H"	-2.014552
"830191"	241.642174	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-2H"	-2.014552
"84725"	969.590524	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M-H"	-1.007276
"526471"	1454.889424	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M-H"	-1.007276
"903180"	484.291624	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-H"	-1.007276
"55367"	986.617071	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M-2H+NH4"	16.019271
"487760"	1471.915971	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M-2H+NH4"	16.019271
"866170"	501.318171	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-2H+NH4"	16.019271
"31438"	991.572466	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M-2H+Na"	20.974666
"473631"	1476.871366	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M-2H+Na"	20.974666
"854714"	506.273566	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-2H+Na"	20.974666
"1620966"	506.273566	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Na-2H"	20.974666
"105152"	502.279963	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M-H+Cl"	33.962126
"544714"	744.929413	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M-H+Cl"	33.962126
"938956"	259.630513	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-H+Cl"	33.962126
"273510"	1005.567202	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+Cl"	34.969402
"670665"	1490.866102	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+Cl"	34.969402
"1278334"	520.268302	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Cl"	34.969402
"26355"	1007.546406	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M-2H+K"	36.948606
"467008"	1492.845306	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M-2H+K"	36.948606
"844810"	522.247506	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-2H+K"	36.948606
"1567203"	522.247506	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+K-2H"	36.948606
"956908"	530.297094	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-H+HCOOH"	44.998194
"373301"	1015.596001	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+HCOOH-H"	44.998201
"350625"	1029.611651	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+Hac-H"	59.013851
"1500556"	544.312751	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Hac-H"	59.013851
"967007"	552.279051	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-H+NaCOOH"	66.980151
"118104"	520.268302	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+2Cl"	69.938804
"555477"	762.917752	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+2Cl"	69.938804
"1027557"	277.618852	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2Cl"	69.938804
"1247136"	564.217785	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Br"	78.918885
"1306301"	566.273772	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Cl+HCOOH"	80.974872
"1323796"	588.255729	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Cl+NaCOOH"	102.956829
"918135"	598.284486	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M-H+CF3COOH"	112.985586
"1298124"	634.261164	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Cl+CF3COOH"	148.962264
"1376283"	450.286224	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H-2H2O"	-35.012676
"1389406"	468.2962	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H-H2O"	-17.0027
"286185"	971.605076	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+H"	1.007276
"684440"	1456.903976	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+H"	1.007276
"1358965"	486.306176	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H"	1.007276
"128575"	486.306176	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+2H"	2.014552
"566148"	728.955626	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+2H"	2.014552
"1043495"	243.656726	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2H"	2.014552
"211394"	324.539876	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+3H"	3.021828
"652048"	486.306176	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+3H"	3.021828
"1169081"	162.773576	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+3H"	3.021828
"431259"	988.631623	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+NH4"	18.033823
"792257"	1473.930523	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+NH4"	18.033823
"1686400"	503.332723	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+NH4"	18.033823
"336501"	494.8194495	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+H+NH4"	19.041099
"731476"	737.4688995	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+H+NH4"	19.041099
"1489674"	252.1699995	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H+NH4"	19.041099
"403979"	993.587018	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+Na"	22.989218
"761693"	1478.885918	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+Na"	22.989218
"1615262"	508.288118	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Na"	22.989218
"326391"	497.297147	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+H+Na"	23.996494
"713345"	739.946597	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+H+Na"	23.996494
"1470445"	254.647697	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H+Na"	23.996494
"1063690"	170.10089	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2H+Na"	25.00377
"1265368"	518.332386	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+CH3OH+H"	33.033486
"385035"	1009.560958	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+K"	38.963158
"748217"	1494.859858	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+K"	38.963158
"1541523"	524.262058	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+K"	38.963158
"304165"	505.284117	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+H+K"	39.970434
"695496"	747.933567	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+H+K"	39.970434
"1457700"	262.634667	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H+K"	39.970434
"245572"	1012.631626	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+ACN+H"	42.033826
"1224117"	527.332726	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+ACN+H"	42.033826
"1208244"	264.170001	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+ACN+2H"	43.041102
"203181"	1015.56896	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+2Na-H"	44.97116
"640437"	1500.86786	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+2Na-H"	44.97116
"1141386"	530.27006	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2Na-H"	44.97116
"183585"	508.288118	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+2Na"	45.978436
"624236"	750.937568	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+2Na"	45.978436
"1126652"	265.638668	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2Na"	45.978436
"1409079"	177.428204	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H+2Na"	46.985712
"1437916"	532.311646	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H+HCOOH"	47.012746
"227610"	513.32114	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+3H2O+2H"	56.04448
"1513488"	546.36369	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+IsoProp+H"	61.06479
"417550"	516.275088	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+Na+K"	61.952376
"780733"	758.924538	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+Na+K"	61.952376
"1667585"	273.625638	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Na+K"	61.952376
"259213"	1034.613568	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+ACN+Na"	64.015768
"1229734"	549.314668	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+ACN+Na"	64.015768
"1716434"	549.338193	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+NH4+HCOOH"	64.039293
"1180692"	184.755518	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+3Na"	68.967654
"1651678"	554.293588	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Na+HCOOH"	68.994688
"157808"	1047.51684	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+2K-H"	76.91904
"599192"	1532.81574	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+2K-H"	76.91904
"1086984"	562.21794	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2K-H"	76.91904
"153650"	524.262058	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"2M+2K"	77.926316
"595284"	766.911508	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"3M+2K"	77.926316
"1082105"	281.612608	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2K"	77.926316
"1113003"	564.232492	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2K+H"	78.933592
"1344047"	564.320107	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+DMSO+H"	79.021207
"1016953"	568.359276	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2ACN+H"	83.060376
"1535077"	569.352908	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+IsoProp+Na+H"	84.054008
"998243"	284.683276	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+2ACN+2H"	84.067652
"1596026"	570.267528	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+K+HCOOH"	84.968628
"1428245"	600.299038	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+H+CF3COOH"	115.000138
"1154164"	305.196551	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+3ACN+2H"	125.094202
"1705903"	617.325585	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+NH4+CF3COOH"	132.026685
"1636086"	622.28098	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+Na+CF3COOH"	136.98208
"1571303"	638.25492	"C20741"	"Novamethymycin"	"C25H43NO8"	"485.2989"	"M+K+CF3COOH"	152.95602
"815225"	621.0274	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M"	0
"978915"	602.00901	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-H2O-H"	-19.01839
"75907"	413.010990666667	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M-3H"	-3.021828
"516562"	620.020124	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M-3H"	-3.021828
"892181"	206.001857333333	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-3H"	-3.021828
"14034"	620.020124	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M-2H"	-2.014552
"454323"	930.533824	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M-2H"	-2.014552
"830301"	309.506424	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-2H"	-2.014552
"87020"	1241.047524	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M-H"	-1.007276
"527674"	1862.074924	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M-H"	-1.007276
"906567"	620.020124	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-H"	-1.007276
"54383"	1258.074071	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M-2H+NH4"	16.019271
"487272"	1879.101471	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M-2H+NH4"	16.019271
"865305"	637.046671	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-2H+NH4"	16.019271
"31986"	1263.029466	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M-2H+Na"	20.974666
"473374"	1884.056866	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M-2H+Na"	20.974666
"849355"	642.002066	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-2H+Na"	20.974666
"1621073"	642.002066	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Na-2H"	20.974666
"107813"	638.008463	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M-H+Cl"	33.962126
"546282"	948.522163	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M-H+Cl"	33.962126
"939795"	327.494763	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-H+Cl"	33.962126
"276535"	1277.024202	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+Cl"	34.969402
"671506"	1898.051602	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+Cl"	34.969402
"1280266"	655.996802	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Cl"	34.969402
"25374"	1279.003406	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M-2H+K"	36.948606
"468212"	1900.030806	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M-2H+K"	36.948606
"844556"	657.976006	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-2H+K"	36.948606
"1568406"	657.976006	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+K-2H"	36.948606
"957019"	666.025594	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-H+HCOOH"	44.998194
"372318"	1287.053001	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+HCOOH-H"	44.998201
"351829"	1301.068651	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+Hac-H"	59.013851
"1500666"	680.041251	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Hac-H"	59.013851
"969304"	688.007551	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-H+NaCOOH"	66.980151
"117121"	655.996802	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+2Cl"	69.938804
"556681"	966.510502	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+2Cl"	69.938804
"1026574"	345.483102	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2Cl"	69.938804
"1247245"	699.946285	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Br"	78.918885
"1306410"	702.002272	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Cl+HCOOH"	80.974872
"1326094"	723.984229	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Cl+NaCOOH"	102.956829
"918245"	734.012986	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M-H+CF3COOH"	112.985586
"1299327"	769.989664	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Cl+CF3COOH"	148.962264
"1375300"	586.014724	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H-2H2O"	-35.012676
"1389516"	604.0247	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H-H2O"	-17.0027
"292492"	1243.062076	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+H"	1.007276
"686007"	1864.089476	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+H"	1.007276
"1362355"	622.034676	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H"	1.007276
"130872"	622.034676	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+2H"	2.014552
"568245"	932.548376	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+2H"	2.014552
"1043605"	311.520976	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2H"	2.014552
"211504"	415.025542666667	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+3H"	3.021828
"652158"	622.034676	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+3H"	3.021828
"1168098"	208.016409333333	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+3H"	3.021828
"429183"	1260.088623	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+NH4"	18.033823
"791274"	1881.116023	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+NH4"	18.033823
"1684324"	639.061223	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+NH4"	18.033823
"336976"	630.5479495	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+H+NH4"	19.041099
"732680"	941.0616495	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+H+NH4"	19.041099
"1489784"	320.0342495	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H+NH4"	19.041099
"406642"	1265.044018	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+Na"	22.989218
"767271"	1886.071418	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+Na"	22.989218
"1616342"	644.016618	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Na"	22.989218
"328931"	633.025647	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+H+Na"	23.996494
"713455"	943.539347	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+H+Na"	23.996494
"1470555"	322.511947	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H+Na"	23.996494
"1064893"	215.343723333333	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2H+Na"	25.00377
"1264384"	654.060886	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+CH3OH+H"	33.033486
"386238"	1281.017958	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+K"	38.963158
"745046"	1902.045358	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+K"	38.963158
"1542726"	659.990558	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+K"	38.963158
"300995"	641.012617	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+H+K"	39.970434
"695606"	951.526317	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+H+K"	39.970434
"1458904"	330.498917	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H+K"	39.970434
"245682"	1284.088626	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+ACN+H"	42.033826
"1224835"	663.061226	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+ACN+H"	42.033826
"1208473"	332.034251	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+ACN+2H"	43.041102
"199520"	1287.02596	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+2Na-H"	44.97116
"640911"	1908.05336	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+2Na-H"	44.97116
"1140404"	665.99856	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2Na-H"	44.97116
"183695"	644.016618	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+2Na"	45.978436
"624346"	954.530318	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+2Na"	45.978436
"1126394"	333.502918	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2Na"	45.978436
"1408097"	222.671037333333	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H+2Na"	46.985712
"1439120"	668.040146	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H+HCOOH"	47.012746
"225533"	649.04964	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+3H2O+2H"	56.04448
"1514691"	682.09219	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+IsoProp+H"	61.06479
"420576"	652.003588	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+Na+K"	61.952376
"780843"	962.517288	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+Na+K"	61.952376
"1669517"	341.489888	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Na+K"	61.952376
"256044"	1306.070568	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+ACN+Na"	64.015768
"1229844"	685.043168	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+ACN+Na"	64.015768
"1716544"	685.066693	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+NH4+HCOOH"	64.039293
"1180802"	229.998351333333	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+3Na"	68.967654
"1651788"	690.022088	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Na+HCOOH"	68.994688
"159740"	1318.97384	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+2K-H"	76.91904
"599302"	1940.00124	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+2K-H"	76.91904
"1085636"	697.94644	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2K-H"	76.91904
"153760"	659.990558	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"2M+2K"	77.926316
"596245"	970.504258	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"3M+2K"	77.926316
"1083915"	349.476858	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2K"	77.926316
"1111047"	699.960992	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2K+H"	78.933592
"1349622"	700.048607	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+DMSO+H"	79.021207
"1017063"	704.087776	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2ACN+H"	83.060376
"1535186"	705.081408	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+IsoProp+Na+H"	84.054008
"998353"	352.547526	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+2ACN+2H"	84.067652
"1598323"	705.996028	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+K+HCOOH"	84.968628
"1427261"	736.027538	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+H+CF3COOH"	115.000138
"1156461"	373.060801	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+3ACN+2H"	125.094202
"1707836"	753.054085	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+NH4+CF3COOH"	132.026685
"1636196"	758.00948	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+Na+CF3COOH"	136.98208
"1571520"	773.98342	"C20742"	"2-Phospho-cyclic ADP-ribose;cADPRP"	"C15H22N5O16P3"	"621.0274"	"M+K+CF3COOH"	152.95602
"813149"	665.1248	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M"	0
"988508"	646.10641	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-H2O-H"	-19.01839
"77116"	442.409257333333	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M-3H"	-3.021828
"514490"	664.117524	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M-3H"	-3.021828
"890104"	220.700990666667	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-3H"	-3.021828
"13784"	664.117524	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M-2H"	-2.014552
"453583"	996.679924	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M-2H"	-2.014552
"818754"	331.555124	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-2H"	-2.014552
"78593"	1329.242324	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M-H"	-1.007276
"518669"	1994.367124	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M-H"	-1.007276
"899026"	664.117524	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-H"	-1.007276
"47684"	1346.268871	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M-2H+NH4"	16.019271
"488942"	2011.393671	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M-2H+NH4"	16.019271
"865538"	681.144071	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-2H+NH4"	16.019271
"38664"	1351.224266	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M-2H+Na"	20.974666
"474093"	2016.349066	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M-2H+Na"	20.974666
"852746"	686.099466	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-2H+Na"	20.974666
"1622277"	686.099466	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Na-2H"	20.974666
"106464"	682.105863	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M-H+Cl"	33.962126
"543838"	1014.668263	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M-H+Cl"	33.962126
"938454"	349.543463	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-H+Cl"	33.962126
"275912"	1365.219002	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+Cl"	34.969402
"671616"	2030.343802	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+Cl"	34.969402
"1284019"	700.094202	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Cl"	34.969402
"26211"	1367.198206	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M-2H+K"	36.948606
"468320"	2032.323006	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M-2H+K"	36.948606
"843935"	702.073406	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-2H+K"	36.948606
"1568885"	702.073406	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+K-2H"	36.948606
"957375"	710.122994	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-H+HCOOH"	44.998194
"366234"	1375.247801	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+HCOOH-H"	44.998201
"353039"	1389.263451	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+Hac-H"	59.013851
"1500781"	724.138651	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Hac-H"	59.013851
"965043"	732.104951	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-H+NaCOOH"	66.980151
"116136"	700.094202	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+2Cl"	69.938804
"554965"	1032.656602	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+2Cl"	69.938804
"1022670"	367.531802	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2Cl"	69.938804
"1242976"	744.043685	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Br"	78.918885
"1306153"	746.099672	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Cl+HCOOH"	80.974872
"1322555"	768.081629	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Cl+NaCOOH"	102.956829
"915439"	778.110386	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M-H+CF3COOH"	112.985586
"1291054"	814.087064	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Cl+CF3COOH"	148.962264
"1372133"	630.112124	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H-2H2O"	-35.012676
"1395103"	648.1221	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H-H2O"	-17.0027
"292602"	1331.256876	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+H"	1.007276
"686117"	1996.381676	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+H"	1.007276
"1365016"	666.132076	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H"	1.007276
"136449"	666.132076	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+2H"	2.014552
"577101"	998.694476	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+2H"	2.014552
"1045901"	333.569676	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2H"	2.014552
"208334"	444.423809333333	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+3H"	3.021828
"648988"	666.132076	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+3H"	3.021828
"1172583"	222.715542666667	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+3H"	3.021828
"431482"	1348.283423	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+NH4"	18.033823
"793571"	2013.408223	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+NH4"	18.033823
"1690997"	683.158623	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+NH4"	18.033823
"343652"	674.6453495	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+H+NH4"	19.041099
"730607"	1007.2077495	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+H+NH4"	19.041099
"1488802"	342.0829495	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H+NH4"	19.041099
"406388"	1353.238818	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+Na"	22.989218
"767381"	2018.363618	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+Na"	22.989218
"1614385"	688.114018	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Na"	22.989218
"328674"	677.123047	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+H+Na"	23.996494
"719027"	1009.685447	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+H+Na"	23.996494
"1472848"	344.560647	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H+Na"	23.996494
"1060627"	230.042856666667	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2H+Na"	25.00377
"1267770"	698.158286	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+CH3OH+H"	33.033486
"384158"	1369.212758	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+K"	38.963158
"748440"	2034.337558	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+K"	38.963158
"1545026"	704.087958	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+K"	38.963158
"309858"	685.110017	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+H+K"	39.970434
"698999"	1017.672417	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+H+K"	39.970434
"1456098"	352.547617	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H+K"	39.970434
"249805"	1372.283426	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+ACN+H"	42.033826
"1220689"	707.158626	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+ACN+H"	42.033826
"1207855"	354.082951	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+ACN+2H"	43.041102
"198546"	1375.22076	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+2Na-H"	44.97116
"637012"	2040.34556	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+2Na-H"	44.97116
"1140519"	710.09596	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2Na-H"	44.97116
"182714"	688.114018	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+2Na"	45.978436
"623367"	1020.676418	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+2Na"	45.978436
"1125781"	355.551618	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2Na"	45.978436
"1411129"	237.370170666667	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H+2Na"	46.985712
"1438138"	712.137546	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H+HCOOH"	47.012746
"232209"	693.14704	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+3H2O+2H"	56.04448
"1519180"	726.18959	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+IsoProp+H"	61.06479
"414493"	696.100988	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+Na+K"	61.952376
"775487"	1028.663388	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+Na+K"	61.952376
"1675104"	363.538588	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Na+K"	61.952376
"260530"	1394.265368	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+ACN+Na"	64.015768
"1237249"	729.140568	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+ACN+Na"	64.015768
"1718843"	729.164093	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+NH4+HCOOH"	64.039293
"1182011"	244.697484666667	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+3Na"	68.967654
"1651902"	734.119488	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Na+HCOOH"	68.994688
"162045"	1407.16864	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+2K-H"	76.91904
"599414"	2072.29344	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+2K-H"	76.91904
"1099245"	742.04384	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2K-H"	76.91904
"154246"	704.087958	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"2M+2K"	77.926316
"595626"	1036.650358	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"3M+2K"	77.926316
"1080138"	371.525558	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2K"	77.926316
"1112989"	744.058392	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2K+H"	78.933592
"1345364"	744.146007	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+DMSO+H"	79.021207
"1014987"	748.185176	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2ACN+H"	83.060376
"1533111"	749.178808	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+IsoProp+Na+H"	84.054008
"998465"	374.596226	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+2ACN+2H"	84.067652
"1599527"	750.093428	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+K+HCOOH"	84.968628
"1426280"	780.124938	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+H+CF3COOH"	115.000138
"1154384"	395.109501	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+3ACN+2H"	125.094202
"1706124"	797.151485	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+NH4+CF3COOH"	132.026685
"1643961"	802.10688	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+Na+CF3COOH"	136.98208
"1577425"	818.08082	"C20744"	"alpha-NADH"	"C21H29N7O14P2"	"665.1248"	"M+K+CF3COOH"	152.95602
"816418"	745.0911	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M"	0
"988981"	726.07271	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-H2O-H"	-19.01839
"76134"	495.720124	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M-3H"	-3.021828
"516787"	744.083824	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M-3H"	-3.021828
"893494"	247.356424	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-3H"	-3.021828
"15310"	744.083824	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M-2H"	-2.014552
"454427"	1116.629374	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M-2H"	-2.014552
"818502"	371.538274	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-2H"	-2.014552
"80680"	1489.174924	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M-H"	-1.007276
"520240"	2234.266024	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M-H"	-1.007276
"900229"	744.083824	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-H"	-1.007276
"48890"	1506.201471	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M-2H+NH4"	16.019271
"489788"	2251.292571	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M-2H+NH4"	16.019271
"866620"	761.110371	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-2H+NH4"	16.019271
"38774"	1511.156866	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M-2H+Na"	20.974666
"481616"	2256.247966	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M-2H+Na"	20.974666
"856136"	766.065766	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-2H+Na"	20.974666
"1622387"	766.065766	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Na-2H"	20.974666
"105483"	762.072163	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M-H+Cl"	33.962126
"540668"	1134.617713	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M-H+Cl"	33.962126
"939293"	389.526613	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-H+Cl"	33.962126
"278212"	1525.151602	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+Cl"	34.969402
"670630"	2270.242702	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+Cl"	34.969402
"1284857"	780.060502	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Cl"	34.969402
"26685"	1527.130806	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M-2H+K"	36.948606
"469891"	2272.221906	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M-2H+K"	36.948606
"847328"	782.039706	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-2H+K"	36.948606
"1568994"	782.039706	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+K-2H"	36.948606
"956146"	790.089294	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-H+HCOOH"	44.998194
"368167"	1535.180401	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+HCOOH-H"	44.998201
"352785"	1549.196051	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+Hac-H"	59.013851
"1498703"	804.104951	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Hac-H"	59.013851
"961872"	812.071251	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-H+NaCOOH"	66.980151
"115153"	780.060502	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+2Cl"	69.938804
"553983"	1152.606052	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+2Cl"	69.938804
"1023143"	407.514952	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2Cl"	69.938804
"1244545"	824.009985	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Br"	78.918885
"1307355"	826.065972	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Cl+HCOOH"	80.974872
"1326677"	848.047929	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Cl+NaCOOH"	102.956829
"912268"	858.076686	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M-H+CF3COOH"	112.985586
"1295539"	894.053364	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Cl+CF3COOH"	148.962264
"1378440"	710.078424	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H-2H2O"	-35.012676
"1394120"	728.0884	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H-H2O"	-17.0027
"294899"	1491.189476	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+H"	1.007276
"686226"	2236.280576	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+H"	1.007276
"1362210"	746.098376	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H"	1.007276
"138382"	746.098376	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+2H"	2.014552
"577212"	1118.643926	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+2H"	2.014552
"1042731"	373.552826	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2H"	2.014552
"211724"	497.734676	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+3H"	3.021828
"652379"	746.098376	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+3H"	3.021828
"1173422"	249.370976	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+3H"	3.021828
"431592"	1508.216023	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+NH4"	18.033823
"792588"	2253.307123	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+NH4"	18.033823
"1695971"	763.124923	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+NH4"	18.033823
"343399"	754.6116495	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+H+NH4"	19.041099
"730718"	1127.1571995	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+H+NH4"	19.041099
"1486726"	382.0660995	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H+NH4"	19.041099
"405406"	1513.171418	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+Na"	22.989218
"768224"	2258.262518	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+Na"	22.989218
"1616683"	768.080318	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Na"	22.989218
"328909"	757.089347	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+H+Na"	23.996494
"720234"	1129.634897	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+H+Na"	23.996494
"1475146"	384.543797	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H+Na"	23.996494
"1066205"	256.69829	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2H+Na"	25.00377
"1272095"	778.124586	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+CH3OH+H"	33.033486
"387550"	1529.145358	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+K"	38.963158
"744178"	2274.236458	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+K"	38.963158
"1548416"	784.054258	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+K"	38.963158
"309968"	765.076317	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+H+K"	39.970434
"702389"	1137.621867	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+H+K"	39.970434
"1455115"	392.530767	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H+K"	39.970434
"251359"	1532.216026	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+ACN+H"	42.033826
"1224447"	787.124926	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+ACN+H"	42.033826
"1209427"	394.066101	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+ACN+2H"	43.041102
"199749"	1535.15336	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+2Na-H"	44.97116
"639309"	2280.24446	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+2Na-H"	44.97116
"1143911"	790.06226	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2Na-H"	44.97116
"186472"	768.080318	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+2Na"	45.978436
"627490"	1140.625868	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+2Na"	45.978436
"1129900"	395.534768	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2Na"	45.978436
"1411968"	264.025604	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H+2Na"	46.985712
"1443716"	792.103846	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H+HCOOH"	47.012746
"233050"	773.11334	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+3H2O+2H"	56.04448
"1518196"	806.15589	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+IsoProp+H"	61.06479
"418975"	776.067288	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+Na+K"	61.952376
"778877"	1148.612838	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+Na+K"	61.952376
"1678494"	403.521738	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Na+K"	61.952376
"261733"	1554.197968	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+ACN+Na"	64.015768
"1238816"	809.106868	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+ACN+Na"	64.015768
"1718953"	809.130393	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+NH4+HCOOH"	64.039293
"1182121"	271.352918	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+3Na"	68.967654
"1654924"	814.085788	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Na+HCOOH"	68.994688
"159239"	1567.10124	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+2K-H"	76.91904
"602804"	2312.19234	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+2K-H"	76.91904
"1098999"	822.01014	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2K-H"	76.91904
"154355"	784.054258	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"2M+2K"	77.926316
"594642"	1156.599808	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"3M+2K"	77.926316
"1081341"	411.508708	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2K"	77.926316
"1112004"	824.024692	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2K+H"	78.933592
"1345475"	824.112307	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+DMSO+H"	79.021207
"1014004"	828.151476	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2ACN+H"	83.060376
"1534315"	829.145108	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+IsoProp+Na+H"	84.054008
"1000763"	414.579376	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+2ACN+2H"	84.067652
"1597453"	830.059728	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+K+HCOOH"	84.968628
"1426393"	860.091238	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+H+CF3COOH"	115.000138
"1154492"	435.092651	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+3ACN+2H"	125.094202
"1704047"	877.117785	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+NH4+CF3COOH"	132.026685
"1640791"	882.07318	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+Na+CF3COOH"	136.98208
"1577535"	898.04712	"C20745"	"alpha-NADPH"	"C21H30N7O17P3"	"745.0911"	"M+K+CF3COOH"	152.95602
"815556"	897.1418	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M"	0
"989732"	878.12341	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H2O-H"	-19.01839
"78068"	597.087257333333	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-3H"	-3.021828
"516904"	896.134524	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-3H"	-3.021828
"894338"	298.039990666667	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-3H"	-3.021828
"14619"	896.134524	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H"	-2.014552
"453570"	1344.705424	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H"	-2.014552
"824079"	447.563624	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H"	-2.014552
"86258"	1793.276324	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H"	-1.007276
"525817"	2690.418124	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H"	-1.007276
"905805"	896.134524	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H"	-1.007276
"48275"	1810.302871	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+NH4"	16.019271
"488808"	2707.444671	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+NH4"	16.019271
"868797"	913.161071	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+NH4"	16.019271
"38885"	1815.258266	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+Na"	20.974666
"481726"	2712.400066	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+Na"	20.974666
"856246"	918.116466	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+Na"	20.974666
"1624684"	918.116466	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na-2H"	20.974666
"106688"	914.122863	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-H+Cl"	33.962126
"546245"	1362.693763	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-H+Cl"	33.962126
"939404"	465.551963	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+Cl"	33.962126
"278686"	1829.253002	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Cl"	34.969402
"670743"	2726.394802	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Cl"	34.969402
"1284240"	932.111202	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl"	34.969402
"27525"	1831.232206	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M-2H+K"	36.948606
"471055"	2728.374006	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M-2H+K"	36.948606
"846224"	934.090406	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-2H+K"	36.948606
"1568742"	934.090406	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K-2H"	36.948606
"958165"	942.139994	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+HCOOH"	44.998194
"374473"	1839.281801	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+HCOOH-H"	44.998201
"352166"	1853.297451	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Hac-H"	59.013851
"1504281"	956.155651	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Hac-H"	59.013851
"967449"	964.121951	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+NaCOOH"	66.980151
"115264"	932.111202	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Cl"	69.938804
"554093"	1380.682102	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Cl"	69.938804
"1024715"	483.540302	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Cl"	69.938804
"1246115"	976.060685	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Br"	78.918885
"1307469"	978.116672	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+HCOOH"	80.974872
"1330798"	1000.098629	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+NaCOOH"	102.956829
"917484"	1010.127386	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M-H+CF3COOH"	112.985586
"1302940"	1046.104064	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Cl+CF3COOH"	148.962264
"1380374"	862.129124	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-2H2O"	-35.012676
"1393137"	880.1391	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H-H2O"	-17.0027
"295010"	1795.290876	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H"	1.007276
"690350"	2692.432676	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H"	1.007276
"1363780"	898.149076	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H"	1.007276
"138493"	898.149076	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2H"	2.014552
"577324"	1346.719976	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2H"	2.014552
"1049401"	449.578176	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H"	2.014552
"216208"	599.101809333333	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H"	3.021828
"655773"	898.149076	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+3H"	3.021828
"1173896"	300.054542666667	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3H"	3.021828
"432797"	1812.317423	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+NH4"	18.033823
"795977"	2709.459223	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+NH4"	18.033823
"1694867"	915.175623	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4"	18.033823
"343876"	906.6623495	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+NH4"	19.041099
"737025"	1355.2332495	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+NH4"	19.041099
"1490117"	458.0914495	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+NH4"	19.041099
"405516"	1817.272818	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na"	22.989218
"767605"	2714.414618	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na"	22.989218
"1616797"	920.131018	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na"	22.989218
"327926"	909.140047	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+Na"	23.996494
"721318"	1357.710947	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+Na"	23.996494
"1475259"	460.569147	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+Na"	23.996494
"1066317"	307.381856666667	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2H+Na"	25.00377
"1269087"	930.175286	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+CH3OH+H"	33.033486
"391916"	1833.246758	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+K"	38.963158
"752671"	2730.388558	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+K"	38.963158
"1548526"	936.104958	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K"	38.963158
"312266"	917.127017	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+H+K"	39.970434
"702499"	1365.697917	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+H+K"	39.970434
"1454131"	468.556117	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+K"	39.970434
"248202"	1836.317426	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+H"	42.033826
"1222002"	939.175626	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+H"	42.033826
"1208444"	470.091451	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+2H"	43.041102
"201684"	1839.25476	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na-H"	44.97116
"640514"	2736.39656	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na-H"	44.97116
"1146168"	942.11296	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na-H"	44.97116
"188405"	920.131018	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2Na"	45.978436
"627601"	1368.701918	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2Na"	45.978436
"1130375"	471.560118	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2Na"	45.978436
"1413169"	314.709170666667	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+2Na"	46.985712
"1444556"	944.154546	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+HCOOH"	47.012746
"234253"	925.16404	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+3H2O+2H"	56.04448
"1523775"	958.20659	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+H"	61.06479
"422366"	928.117988	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+Na+K"	61.952376
"784455"	1376.688888	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+Na+K"	61.952376
"1678970"	479.547088	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+K"	61.952376
"260750"	1858.299368	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+ACN+Na"	64.015768
"1234551"	961.157568	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+ACN+Na"	64.015768
"1715783"	961.181093	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+HCOOH"	64.039293
"1182231"	322.036484666667	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3Na"	68.967654
"1653940"	966.136488	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+HCOOH"	68.994688
"159106"	1871.20264	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K-H"	76.91904
"601092"	2768.34444	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K-H"	76.91904
"1099596"	974.06084	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K-H"	76.91904
"156772"	936.104958	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"2M+2K"	77.926316
"594031"	1384.675858	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"3M+2K"	77.926316
"1082549"	487.534058	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K"	77.926316
"1112113"	976.075392	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2K+H"	78.933592
"1344491"	976.163007	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+DMSO+H"	79.021207
"1016302"	980.202176	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+H"	83.060376
"1534427"	981.195808	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+IsoProp+Na+H"	84.054008
"1003062"	490.604726	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+2ACN+2H"	84.067652
"1598658"	982.110428	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+HCOOH"	84.968628
"1427595"	1012.141938	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+H+CF3COOH"	115.000138
"1161893"	511.118001	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+3ACN+2H"	125.094202
"1700877"	1029.168485	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+NH4+CF3COOH"	132.026685
"1640901"	1034.12388	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+Na+CF3COOH"	136.98208
"1577645"	1050.09782	"C20746"	"(3R)-Citramalyl-CoA;D-Citramalyl-CoA;(R)-Citramalyl-CoA"	"C26H42N7O20P3S"	"897.1418"	"M+K+CF3COOH"	152.95602
"814578"	883.1262	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M"	0
"988111"	864.10781	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H2O-H"	-19.01839
"71980"	587.743524	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-3H"	-3.021828
"515916"	882.118924	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-3H"	-3.021828
"892624"	293.368124	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-3H"	-3.021828
"13390"	882.118924	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H"	-2.014552
"447479"	1323.682024	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H"	-2.014552
"825281"	440.555824	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H"	-2.014552
"86368"	1765.245124	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-H"	-1.007276
"527021"	2648.371324	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-H"	-1.007276
"904825"	882.118924	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H"	-1.007276
"49358"	1782.271671	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H+NH4"	16.019271
"491106"	2665.397871	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H+NH4"	16.019271
"871094"	899.145471	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H+NH4"	16.019271
"41182"	1787.227066	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H+Na"	20.974666
"483659"	2670.353266	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H+Na"	20.974666
"860732"	904.100866	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H+Na"	20.974666
"1630264"	904.100866	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na-2H"	20.974666
"103513"	900.107263	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-H+Cl"	33.962126
"544534"	1341.670363	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-H+Cl"	33.962126
"939143"	458.544163	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+Cl"	33.962126
"278062"	1801.221802	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Cl"	34.969402
"671578"	2684.348002	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+Cl"	34.969402
"1285443"	918.095602	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl"	34.969402
"28000"	1803.201006	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M-2H+K"	36.948606
"468290"	2686.327206	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M-2H+K"	36.948606
"844998"	920.074806	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-2H+K"	36.948606
"1568121"	920.074806	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K-2H"	36.948606
"952359"	928.124394	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+HCOOH"	44.998194
"368386"	1811.250601	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+HCOOH-H"	44.998201
"356648"	1825.266251	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Hac-H"	59.013851
"1503299"	942.140051	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Hac-H"	59.013851
"966467"	950.106351	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+NaCOOH"	66.980151
"119748"	918.095602	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2Cl"	69.938804
"556029"	1359.658702	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2Cl"	69.938804
"1028105"	476.532502	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2Cl"	69.938804
"1249870"	962.045085	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Br"	78.918885
"1310133"	964.101072	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl+HCOOH"	80.974872
"1326538"	986.083029	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl+NaCOOH"	102.956829
"918690"	996.111786	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M-H+CF3COOH"	112.985586
"1301593"	1032.088464	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Cl+CF3COOH"	148.962264
"1372465"	848.113524	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H-2H2O"	-35.012676
"1398113"	866.1235	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H-H2O"	-17.0027
"295120"	1767.259676	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H"	1.007276
"689729"	2650.385876	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H"	1.007276
"1365716"	884.133476	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H"	1.007276
"136779"	884.133476	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2H"	2.014552
"577433"	1325.696576	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2H"	2.014552
"1050971"	442.570376	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2H"	2.014552
"215227"	589.758076	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+3H"	3.021828
"657703"	884.133476	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+3H"	3.021828
"1177170"	295.382676	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+3H"	3.021828
"436189"	1784.286223	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+NH4"	18.033823
"800955"	2667.412423	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+NH4"	18.033823
"1695586"	901.160023	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+NH4"	18.033823
"344958"	892.6467495	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H+NH4"	19.041099
"737015"	1334.2098495	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H+NH4"	19.041099
"1491808"	451.0836495	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+NH4"	19.041099
"408302"	1789.241618	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Na"	22.989218
"768690"	2672.367818	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+Na"	22.989218
"1618401"	906.115418	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na"	22.989218
"329620"	895.124447	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H+Na"	23.996494
"722282"	1336.687547	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H+Na"	23.996494
"1475734"	453.561347	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+Na"	23.996494
"1067156"	302.70999	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2H+Na"	25.00377
"1268106"	916.159686	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+CH3OH+H"	33.033486
"388871"	1805.215558	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+K"	38.963158
"753146"	2688.341758	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+K"	38.963158
"1554477"	922.089358	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K"	38.963158
"313472"	903.111417	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+H+K"	39.970434
"706499"	1344.674517	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+H+K"	39.970434
"1460974"	461.548317	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+K"	39.970434
"250136"	1808.286226	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+ACN+H"	42.033826
"1224318"	925.160026	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+ACN+H"	42.033826
"1206371"	463.083651	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+ACN+2H"	43.041102
"203253"	1811.22356	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2Na-H"	44.97116
"642212"	2694.34976	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2Na-H"	44.97116
"1145354"	928.09736	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2Na-H"	44.97116
"187551"	906.115418	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2Na"	45.978436
"628431"	1347.678518	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2Na"	45.978436
"1130899"	464.552318	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2Na"	45.978436
"1414129"	310.037304	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+2Na"	46.985712
"1445280"	930.138946	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+HCOOH"	47.012746
"235101"	911.14844	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+3H2O+2H"	56.04448
"1522799"	944.19099	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+IsoProp+H"	61.06479
"423901"	914.102388	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+Na+K"	61.952376
"785582"	1355.665488	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+Na+K"	61.952376
"1681172"	472.539288	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na+K"	61.952376
"267095"	1830.268168	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+ACN+Na"	64.015768
"1241069"	947.141968	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+ACN+Na"	64.015768
"1725375"	947.165493	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+NH4+HCOOH"	64.039293
"1190362"	317.364618	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+3Na"	68.967654
"1664631"	952.120888	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na+HCOOH"	68.994688
"168936"	1843.17144	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2K-H"	76.91904
"612151"	2726.29764	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2K-H"	76.91904
"1098127"	960.04524	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2K-H"	76.91904
"153850"	922.089358	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"2M+2K"	77.926316
"595957"	1363.652458	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"3M+2K"	77.926316
"1077195"	480.526258	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2K"	77.926316
"1107123"	962.059792	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2K+H"	78.933592
"1342415"	962.147407	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+DMSO+H"	79.021207
"1010944"	966.186576	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2ACN+H"	83.060376
"1535631"	967.180208	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+IsoProp+Na+H"	84.054008
"998798"	483.596926	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+2ACN+2H"	84.067652
"1595488"	968.094828	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K+HCOOH"	84.968628
"1425519"	998.126338	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+H+CF3COOH"	115.000138
"1157994"	504.110201	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+3ACN+2H"	125.094202
"1704266"	1015.152885	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+NH4+CF3COOH"	132.026685
"1639915"	1020.10828	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+Na+CF3COOH"	136.98208
"1577755"	1036.08222	"C20747"	"(R)-Malyl-CoA;(3R)-3-Carboxy-3-hydroxypropanoyl-CoA"	"C25H40N7O20P3S"	"883.1262"	"M+K+CF3COOH"	152.95602
"813596"	893.2071	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M"	0
"987129"	874.18871	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-H2O-H"	-19.01839
"72090"	594.464124	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M-3H"	-3.021828
"516026"	892.199824	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M-3H"	-3.021828
"888361"	296.728424	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-3H"	-3.021828
"13133"	892.199824	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M-2H"	-2.014552
"446496"	1338.803374	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M-2H"	-2.014552
"825390"	445.596274	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-2H"	-2.014552
"87570"	1785.406924	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M-H"	-1.007276
"522757"	2678.614024	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M-H"	-1.007276
"900561"	892.199824	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-H"	-1.007276
"51656"	1802.433471	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M-2H+NH4"	16.019271
"490123"	2695.640571	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M-2H+NH4"	16.019271
"869018"	909.226371	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-2H+NH4"	16.019271
"39107"	1807.388866	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M-2H+Na"	20.974666
"479760"	2700.595966	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M-2H+Na"	20.974666
"859749"	914.181766	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-2H+Na"	20.974666
"1630374"	914.181766	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Na-2H"	20.974666
"103623"	910.188163	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M-H+Cl"	33.962126
"542092"	1356.791713	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M-H+Cl"	33.962126
"938159"	463.584613	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-H+Cl"	33.962126
"277080"	1821.383602	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+Cl"	34.969402
"672418"	2714.590702	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+Cl"	34.969402
"1284094"	928.176502	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Cl"	34.969402
"22638"	1823.362806	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M-2H+K"	36.948606
"465483"	2716.569906	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M-2H+K"	36.948606
"844374"	930.155706	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-2H+K"	36.948606
"1565677"	930.155706	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+K-2H"	36.948606
"951377"	938.205294	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-H+HCOOH"	44.998194
"369224"	1831.412401	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+HCOOH-H"	44.998201
"355664"	1845.428051	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+Hac-H"	59.013851
"1503042"	952.220951	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Hac-H"	59.013851
"972405"	960.187251	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-H+NaCOOH"	66.980151
"115486"	928.176502	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+2Cl"	69.938804
"555046"	1374.780052	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+2Cl"	69.938804
"1025663"	481.572952	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2Cl"	69.938804
"1251074"	972.125985	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Br"	78.918885
"1308784"	974.181972	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Cl+HCOOH"	80.974872
"1327739"	996.163929	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Cl+NaCOOH"	102.956829
"918799"	1006.192686	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M-H+CF3COOH"	112.985586
"1299881"	1042.169364	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Cl+CF3COOH"	148.962264
"1371845"	858.194424	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H-2H2O"	-35.012676
"1396641"	876.2044	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H-H2O"	-17.0027
"296323"	1787.421476	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+H"	1.007276
"688746"	2680.628576	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+H"	1.007276
"1364368"	894.214376	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H"	1.007276
"137621"	894.214376	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+2H"	2.014552
"577544"	1340.817926	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+2H"	2.014552
"1048532"	447.610826	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2H"	2.014552
"215338"	596.478676	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+3H"	3.021828
"653805"	894.214376	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+3H"	3.021828
"1176916"	298.742976	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+3H"	3.021828
"435206"	1804.448023	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+NH4"	18.033823
"799484"	2697.655123	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+NH4"	18.033823
"1694723"	911.240923	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+NH4"	18.033823
"342637"	902.7276495	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+H+NH4"	19.041099
"737125"	1349.3311995	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+H+NH4"	19.041099
"1491431"	456.1240995	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H+NH4"	19.041099
"407807"	1809.403418	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+Na"	22.989218
"766733"	2702.610518	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+Na"	22.989218
"1616652"	916.196318	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Na"	22.989218
"328512"	905.205347	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+H+Na"	23.996494
"722146"	1351.808897	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+H+Na"	23.996494
"1473291"	458.601797	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H+Na"	23.996494
"1062162"	306.07029	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2H+Na"	25.00377
"1267123"	926.240586	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+CH3OH+H"	33.033486
"388982"	1825.377358	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+K"	38.963158
"752161"	2718.584458	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+K"	38.963158
"1553123"	932.170258	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+K"	38.963158
"310299"	913.192317	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+H+K"	39.970434
"705636"	1359.795867	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+H+K"	39.970434
"1458730"	466.588767	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H+K"	39.970434
"246237"	1828.448026	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+ACN+H"	42.033826
"1224060"	935.240926	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+ACN+H"	42.033826
"1206116"	468.124101	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+ACN+2H"	43.041102
"202272"	1831.38536	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+2Na-H"	44.97116
"642561"	2724.59246	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+2Na-H"	44.97116
"1145702"	938.17826	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2Na-H"	44.97116
"186930"	916.196318	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+2Na"	45.978436
"627827"	1362.799868	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+2Na"	45.978436
"1130236"	469.592768	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2Na"	45.978436
"1413273"	313.397604	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H+2Na"	46.985712
"1443324"	940.219846	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H+HCOOH"	47.012746
"234482"	921.22934	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+3H2O+2H"	56.04448
"1522904"	954.27189	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+IsoProp+H"	61.06479
"424093"	924.183288	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+Na+K"	61.952376
"784691"	1370.786838	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+Na+K"	61.952376
"1680653"	477.579738	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Na+K"	61.952376
"266895"	1850.429968	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+ACN+Na"	64.015768
"1241293"	957.222868	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+ACN+Na"	64.015768
"1725484"	957.246393	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+NH4+HCOOH"	64.039293
"1191200"	320.724918	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+3Na"	68.967654
"1663890"	962.201788	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Na+HCOOH"	68.994688
"166860"	1863.33324	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+2K-H"	76.91904
"612425"	2756.54034	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+2K-H"	76.91904
"1097868"	970.12614	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2K-H"	76.91904
"153596"	932.170258	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"2M+2K"	77.926316
"594610"	1378.773808	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"3M+2K"	77.926316
"1077305"	485.566708	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2K"	77.926316
"1106140"	972.140692	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2K+H"	78.933592
"1341431"	972.228307	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+DMSO+H"	79.021207
"1013241"	976.267476	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2ACN+H"	83.060376
"1535013"	977.261108	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+IsoProp+Na+H"	84.054008
"1001095"	488.637376	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+2ACN+2H"	84.067652
"1598879"	978.175728	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+K+HCOOH"	84.968628
"1424538"	1008.207238	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+H+CF3COOH"	115.000138
"1158104"	509.150651	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+3ACN+2H"	125.094202
"1705469"	1025.233785	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+NH4+CF3COOH"	132.026685
"1640025"	1030.18918	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+Na+CF3COOH"	136.98208
"1578958"	1046.16312	"C20748"	"(E)-4-(Trimethylammonio)but-2-enoyl-CoA;Crotonobetainyl-CoA"	"C28H48N8O17P3S"	"893.2071"	"M+K+CF3COOH"	152.95602
"816503"	895.2227	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M"	0
"989307"	876.20431	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-H2O-H"	-19.01839
"76573"	595.807857333333	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M-3H"	-3.021828
"517597"	894.215424	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M-3H"	-3.021828
"894669"	297.400290666667	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-3H"	-3.021828
"13975"	894.215424	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M-2H"	-2.014552
"454384"	1341.826774	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M-2H"	-2.014552
"829878"	446.604074	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-2H"	-2.014552
"89502"	1789.438124	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M-H"	-1.007276
"527241"	2684.660824	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M-H"	-1.007276
"901766"	894.215424	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-H"	-1.007276
"51766"	1806.464671	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M-2H+NH4"	16.019271
"490233"	2701.687371	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M-2H+NH4"	16.019271
"870222"	911.241971	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-2H+NH4"	16.019271
"43226"	1811.420066	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M-2H+Na"	20.974666
"481693"	2706.642766	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M-2H+Na"	20.974666
"859861"	916.197366	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-2H+Na"	20.974666
"1631579"	916.197366	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Na-2H"	20.974666
"107016"	912.203763	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M-H+Cl"	33.962126
"546213"	1359.815113	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M-H+Cl"	33.962126
"937905"	464.592413	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-H+Cl"	33.962126
"276460"	1825.414802	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+Cl"	34.969402
"671433"	2720.637502	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+Cl"	34.969402
"1285296"	930.192102	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Cl"	34.969402
"27122"	1827.394006	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M-2H+K"	36.948606
"466687"	2722.616706	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M-2H+K"	36.948606
"844484"	932.171306	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-2H+K"	36.948606
"1566881"	932.171306	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+K-2H"	36.948606
"953675"	940.220894	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-H+HCOOH"	44.998194
"371886"	1835.443601	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+HCOOH-H"	44.998201
"355774"	1849.459251	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+Hac-H"	59.013851
"1506069"	954.236551	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Hac-H"	59.013851
"972154"	962.202851	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-H+NaCOOH"	66.980151
"112068"	930.192102	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+2Cl"	69.938804
"558435"	1377.803452	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+2Cl"	69.938804
"1027231"	482.580752	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2Cl"	69.938804
"1251185"	974.141585	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Br"	78.918885
"1309622"	976.197572	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Cl+HCOOH"	80.974872
"1327851"	998.179529	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Cl+NaCOOH"	102.956829
"918909"	1008.208286	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M-H+CF3COOH"	112.985586
"1301084"	1044.184964	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Cl+CF3COOH"	148.962264
"1371589"	860.210024	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H-2H2O"	-35.012676
"1396751"	878.22	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H-H2O"	-17.0027
"297285"	1791.452676	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+H"	1.007276
"690801"	2686.675376	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+H"	1.007276
"1366747"	896.229976	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H"	1.007276
"139189"	896.229976	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+2H"	2.014552
"579843"	1343.841326	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+2H"	2.014552
"1052411"	448.618626	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2H"	2.014552
"213262"	597.822409333333	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+3H"	3.021828
"655008"	896.229976	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+3H"	3.021828
"1177511"	299.414842666667	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+3H"	3.021828
"433129"	1808.479223	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+NH4"	18.033823
"799592"	2703.701923	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+NH4"	18.033823
"1696288"	913.256523	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+NH4"	18.033823
"342745"	904.7432495	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+H+NH4"	19.041099
"737928"	1352.3545995	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+H+NH4"	19.041099
"1491542"	457.1318995	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H+NH4"	19.041099
"406942"	1813.434618	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+Na"	22.989218
"768183"	2708.657318	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+Na"	22.989218
"1617617"	918.211918	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Na"	22.989218
"328504"	907.220947	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+H+Na"	23.996494
"719581"	1354.832297	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+H+Na"	23.996494
"1474495"	459.609597	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H+Na"	23.996494
"1062271"	306.742156666667	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2H+Na"	25.00377
"1269420"	928.256186	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+CH3OH+H"	33.033486
"391279"	1829.408558	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+K"	38.963158
"751179"	2724.631258	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+K"	38.963158
"1553233"	934.185858	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+K"	38.963158
"309316"	915.207917	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+H+K"	39.970434
"700644"	1362.819267	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+H+K"	39.970434
"1456653"	467.596567	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H+K"	39.970434
"247441"	1832.479226	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+ACN+H"	42.033826
"1224778"	937.256526	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+ACN+H"	42.033826
"1208780"	469.131901	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+ACN+2H"	43.041102
"203717"	1835.41656	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+2Na-H"	44.97116
"643034"	2730.63926	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+2Na-H"	44.97116
"1146179"	940.19386	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2Na-H"	44.97116
"188133"	918.211918	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+2Na"	45.978436
"628453"	1365.823268	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+2Na"	45.978436
"1130961"	470.600568	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2Na"	45.978436
"1413878"	314.069470666667	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H+2Na"	46.985712
"1443796"	942.235446	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H+HCOOH"	47.012746
"235318"	923.24494	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+3H2O+2H"	56.04448
"1524092"	956.28749	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+IsoProp+H"	61.06479
"423674"	926.198888	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+Na+K"	61.952376
"784802"	1373.810238	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+Na+K"	61.952376
"1680036"	478.587538	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Na+K"	61.952376
"266682"	1854.461168	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+ACN+Na"	64.015768
"1239626"	959.238468	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+ACN+Na"	64.015768
"1727659"	959.261993	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+NH4+HCOOH"	64.039293
"1191311"	321.396784666667	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+3Na"	68.967654
"1662296"	964.217388	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Na+HCOOH"	68.994688
"165876"	1867.36444	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+2K-H"	76.91904
"611281"	2762.58714	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+2K-H"	76.91904
"1096160"	972.14174	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2K-H"	76.91904
"154074"	934.185858	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"2M+2K"	77.926316
"591809"	1381.797208	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"3M+2K"	77.926316
"1074134"	486.574508	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2K"	77.926316
"1101875"	974.156292	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2K+H"	78.933592
"1336190"	974.243907	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+DMSO+H"	79.021207
"1008976"	978.283076	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2ACN+H"	83.060376
"1526374"	979.276708	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+IsoProp+Na+H"	84.054008
"1000112"	489.645176	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+2ACN+2H"	84.067652
"1600085"	980.191328	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+K+HCOOH"	84.968628
"1427930"	1010.222838	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+H+CF3COOH"	115.000138
"1160403"	510.158451	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+3ACN+2H"	125.094202
"1707766"	1027.249385	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+NH4+CF3COOH"	132.026685
"1640135"	1032.20478	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+Na+CF3COOH"	136.98208
"1579068"	1048.17872	"C20749"	"4-Trimethylammoniobutanoyl-CoA;gamma-Butyrobetainyl-CoA"	"C28H50N8O17P3S"	"895.2227"	"M+K+CF3COOH"	152.95602
"816001"	911.2177	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M"	0
"988441"	892.19931	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-H2O-H"	-19.01839
"76682"	606.471190666667	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M-3H"	-3.021828
"518190"	910.210424	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M-3H"	-3.021828
"895550"	302.731957333333	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-3H"	-3.021828
"15139"	910.210424	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M-2H"	-2.014552
"452182"	1365.819274	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M-2H"	-2.014552
"831079"	454.601574	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-2H"	-2.014552
"89976"	1821.428124	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M-H"	-1.007276
"528444"	2732.645824	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M-H"	-1.007276
"901875"	910.210424	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-H"	-1.007276
"52969"	1838.454671	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M-2H+NH4"	16.019271
"488881"	2749.672371	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M-2H+NH4"	16.019271
"869239"	927.236971	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-2H+NH4"	16.019271
"39327"	1843.410066	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M-2H+Na"	20.974666
"484354"	2754.627766	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M-2H+Na"	20.974666
"862157"	932.192366	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-2H+Na"	20.974666
"1630231"	932.192366	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Na-2H"	20.974666
"106029"	928.198763	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M-H+Cl"	33.962126
"548146"	1383.807613	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M-H+Cl"	33.962126
"939109"	472.589913	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-H+Cl"	33.962126
"277664"	1857.404802	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+Cl"	34.969402
"673001"	2768.622502	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+Cl"	34.969402
"1285771"	946.187102	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Cl"	34.969402
"29423"	1859.384006	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M-2H+K"	36.948606
"466795"	2770.601706	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M-2H+K"	36.948606
"846420"	948.166306	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-2H+K"	36.948606
"1564438"	948.166306	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+K-2H"	36.948606
"954878"	956.215894	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-H+HCOOH"	44.998194
"371996"	1867.433601	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+HCOOH-H"	44.998201
"355884"	1881.449251	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+Hac-H"	59.013851
"1508003"	970.231551	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Hac-H"	59.013851
"973235"	978.197851	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-H+NaCOOH"	66.980151
"115704"	946.187102	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+2Cl"	69.938804
"555266"	1401.795952	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+2Cl"	69.938804
"1026977"	490.578252	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2Cl"	69.938804
"1252388"	990.136585	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Br"	78.918885
"1312649"	992.192572	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Cl+HCOOH"	80.974872
"1326868"	1014.174529	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Cl+NaCOOH"	102.956829
"919020"	1024.203286	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M-H+CF3COOH"	112.985586
"1301559"	1060.179964	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Cl+CF3COOH"	148.962264
"1373887"	876.205024	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H-2H2O"	-35.012676
"1397110"	894.215	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H-H2O"	-17.0027
"296546"	1823.442676	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+H"	1.007276
"690792"	2734.660376	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+H"	1.007276
"1366900"	912.224976	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H"	1.007276
"139299"	912.224976	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+2H"	2.014552
"581047"	1367.833826	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+2H"	2.014552
"1052725"	456.616126	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2H"	2.014552
"213372"	608.485742666667	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+3H"	3.021828
"652934"	912.224976	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+3H"	3.021828
"1172153"	304.746509333333	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+3H"	3.021828
"433239"	1840.469223	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+NH4"	18.033823
"795325"	2751.686923	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+NH4"	18.033823
"1692753"	929.251523	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+NH4"	18.033823
"343951"	920.7382495	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+H+NH4"	19.041099
"737955"	1376.3470995	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+H+NH4"	19.041099
"1492462"	465.1293995	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H+NH4"	19.041099
"408023"	1845.424618	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+Na"	22.989218
"768050"	2756.642318	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+Na"	22.989218
"1616874"	934.206918	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Na"	22.989218
"328730"	923.215947	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+H+Na"	23.996494
"718598"	1378.824797	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+H+Na"	23.996494
"1476429"	467.607097	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H+Na"	23.996494
"1063475"	312.073823333333	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2H+Na"	25.00377
"1269530"	944.251186	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+CH3OH+H"	33.033486
"391024"	1861.398558	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+K"	38.963158
"751287"	2772.616258	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+K"	38.963158
"1554437"	950.180858	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+K"	38.963158
"310520"	931.202917	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+H+K"	39.970434
"704034"	1386.811767	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+H+K"	39.970434
"1458950"	475.594067	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H+K"	39.970434
"249009"	1864.469226	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+ACN+H"	42.033826
"1223545"	953.251526	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+ACN+H"	42.033826
"1207428"	477.129401	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+ACN+2H"	43.041102
"202488"	1867.40656	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+2Na-H"	44.97116
"644098"	2778.62426	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+2Na-H"	44.97116
"1146939"	956.18886	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2Na-H"	44.97116
"187997"	934.206918	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+2Na"	45.978436
"628364"	1389.815768	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+2Na"	45.978436
"1131154"	478.598068	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2Na"	45.978436
"1413572"	319.401137333333	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H+2Na"	46.985712
"1443904"	958.230446	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H+HCOOH"	47.012746
"235349"	939.23994	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+3H2O+2H"	56.04448
"1524079"	972.28249	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+IsoProp+H"	61.06479
"424116"	942.193888	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+Na+K"	61.952376
"785032"	1397.802738	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+Na+K"	61.952376
"1680143"	486.585038	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Na+K"	61.952376
"266299"	1886.451168	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+ACN+Na"	64.015768
"1240098"	975.233468	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+ACN+Na"	64.015768
"1727040"	975.256993	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+NH4+HCOOH"	64.039293
"1191421"	326.728451333333	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+3Na"	68.967654
"1654751"	980.212388	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Na+HCOOH"	68.994688
"165986"	1899.35444	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+2K-H"	76.91904
"611877"	2810.57214	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+2K-H"	76.91904
"1096636"	988.13674	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2K-H"	76.91904
"153819"	950.180858	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"2M+2K"	77.926316
"591191"	1405.789708	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"3M+2K"	77.926316
"1077161"	494.572008	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2K"	77.926316
"1111466"	990.151292	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2K+H"	78.933592
"1341651"	990.238907	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+DMSO+H"	79.021207
"1009088"	994.278076	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2ACN+H"	83.060376
"1532681"	995.271708	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+IsoProp+Na+H"	84.054008
"1000954"	497.642676	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+2ACN+2H"	84.067652
"1600194"	996.186328	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+K+HCOOH"	84.968628
"1425850"	1026.217838	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+H+CF3COOH"	115.000138
"1157233"	518.155951	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+3ACN+2H"	125.094202
"1707876"	1043.244385	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+NH4+CF3COOH"	132.026685
"1640245"	1048.19978	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+Na+CF3COOH"	136.98208
"1579178"	1064.17372	"C20750"	"L-Carnitinyl-CoA"	"C28H50N8O18P3S"	"911.2177"	"M+K+CF3COOH"	152.95602
"816522"	1231.1808	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M"	0
"989652"	1212.16241	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-H2O-H"	-19.01839
"77894"	819.779924	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M-3H"	-3.021828
"508706"	1230.173524	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M-3H"	-3.021828
"886508"	409.386324	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-3H"	-3.021828
"13830"	1230.173524	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M-2H"	-2.014552
"447924"	1845.763924	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M-2H"	-2.014552
"827914"	614.583124	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-2H"	-2.014552
"93134"	2461.354324	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M-H"	-1.007276
"526370"	3692.535124	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M-H"	-1.007276
"899801"	1230.173524	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-H"	-1.007276
"55269"	2478.380871	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M-2H+NH4"	16.019271
"495924"	3709.561671	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M-2H+NH4"	16.019271
"866071"	1247.200071	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-2H+NH4"	16.019271
"44908"	2483.336266	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M-2H+Na"	20.974666
"483374"	3714.517066	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M-2H+Na"	20.974666
"863000"	1252.155466	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-2H+Na"	20.974666
"1633020"	1252.155466	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Na-2H"	20.974666
"108696"	1248.161863	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M-H+Cl"	33.962126
"548016"	1863.752263	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M-H+Cl"	33.962126
"939221"	632.571463	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-H+Cl"	33.962126
"277783"	2497.331002	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+Cl"	34.969402
"671302"	3728.511802	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+Cl"	34.969402
"1283707"	1266.150202	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Cl"	34.969402
"21891"	2499.310206	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M-2H+K"	36.948606
"466918"	3730.491006	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M-2H+K"	36.948606
"839252"	1268.129406	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-2H+K"	36.948606
"1560553"	1268.129406	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+K-2H"	36.948606
"944061"	1276.178994	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-H+HCOOH"	44.998194
"363370"	2507.359801	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+HCOOH-H"	44.998201
"348348"	2521.375451	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+Hac-H"	59.013851
"1498276"	1290.194651	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Hac-H"	59.013851
"962538"	1298.160951	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-H+NaCOOH"	66.980151
"119832"	1266.150202	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+2Cl"	69.938804
"558661"	1881.740602	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+2Cl"	69.938804
"1034022"	650.559802	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2Cl"	69.938804
"1254694"	1310.099685	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Br"	78.918885
"1317508"	1312.155672	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Cl+HCOOH"	80.974872
"1332454"	1334.137629	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Cl+NaCOOH"	102.956829
"926633"	1344.166386	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M-H+CF3COOH"	112.985586
"1303988"	1380.143064	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Cl+CF3COOH"	148.962264
"1376195"	1196.168124	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H-2H2O"	-35.012676
"1393691"	1214.1781	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H-H2O"	-17.0027
"294470"	2463.368876	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+H"	1.007276
"687986"	3694.549676	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+H"	1.007276
"1366404"	1232.188076	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H"	1.007276
"138688"	1232.188076	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+2H"	2.014552
"577880"	1847.778476	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+2H"	2.014552
"1047774"	616.597676	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2H"	2.014552
"215674"	821.794476	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+3H"	3.021828
"650862"	1232.188076	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+3H"	3.021828
"1175549"	411.400876	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+3H"	3.021828
"436271"	2480.395423	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+NH4"	18.033823
"798721"	3711.576223	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+NH4"	18.033823
"1692869"	1249.214623	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+NH4"	18.033823
"340784"	1240.7013495	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+H+NH4"	19.041099
"732474"	1856.2917495	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+H+NH4"	19.041099
"1488484"	625.1109495	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H+NH4"	19.041099
"405704"	2485.350818	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+Na"	22.989218
"767429"	3716.531618	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+Na"	22.989218
"1617345"	1254.170018	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Na"	22.989218
"326290"	1243.179047	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+H+Na"	23.996494
"715432"	1858.769447	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+H+Na"	23.996494
"1469249"	627.588647	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H+Na"	23.996494
"1059218"	418.72819	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2H+Na"	25.00377
"1266364"	1264.214286	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+CH3OH+H"	33.033486
"383844"	2501.324758	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+K"	38.963158
"743745"	3732.505558	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+K"	38.963158
"1544708"	1270.143958	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+K"	38.963158
"302975"	1251.166017	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+H+K"	39.970434
"701960"	1866.756417	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+H+K"	39.970434
"1453596"	635.575617	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H+K"	39.970434
"243290"	2504.395426	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+ACN+H"	42.033826
"1224022"	1273.214626	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+ACN+H"	42.033826
"1206081"	637.110951	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+ACN+2H"	43.041102
"200412"	2507.33276	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+2Na-H"	44.97116
"638879"	3738.51356	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+2Na-H"	44.97116
"1142385"	1276.15196	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2Na-H"	44.97116
"180208"	1254.170018	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+2Na"	45.978436
"618680"	1869.760418	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+2Na"	45.978436
"1130451"	638.579618	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2Na"	45.978436
"1413002"	426.055504	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H+2Na"	46.985712
"1445251"	1278.193546	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H+HCOOH"	47.012746
"235026"	1259.20304	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+3H2O+2H"	56.04448
"1516684"	1292.24559	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+IsoProp+H"	61.06479
"418557"	1262.156988	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+Na+K"	61.952376
"784293"	1877.747388	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+Na+K"	61.952376
"1675882"	646.566588	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Na+K"	61.952376
"261312"	2526.377368	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+ACN+Na"	64.015768
"1234020"	1295.196568	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+ACN+Na"	64.015768
"1722906"	1295.220093	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+NH4+HCOOH"	64.039293
"1188255"	433.382818	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+3Na"	68.967654
"1660336"	1300.175488	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Na+HCOOH"	68.994688
"163920"	2539.28064	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+2K-H"	76.91904
"607851"	3770.46144	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+2K-H"	76.91904
"1088358"	1308.09984	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2K-H"	76.91904
"146998"	1270.143958	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"2M+2K"	77.926316
"586560"	1885.734358	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"3M+2K"	77.926316
"1075446"	654.553558	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2K"	77.926316
"1107563"	1310.114392	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2K+H"	78.933592
"1341757"	1310.202007	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+DMSO+H"	79.021207
"1012477"	1314.241176	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2ACN+H"	83.060376
"1530599"	1315.234808	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+IsoProp+Na+H"	84.054008
"1000327"	657.624226	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+2ACN+2H"	84.067652
"1599205"	1316.149428	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+K+HCOOH"	84.968628
"1423771"	1346.180938	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+H+CF3COOH"	115.000138
"1150050"	678.137501	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+3ACN+2H"	125.094202
"1698145"	1363.207485	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+NH4+CF3COOH"	132.026685
"1639270"	1368.16288	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+Na+CF3COOH"	136.98208
"1578203"	1384.13682	"C20759"	"Desulfo-A47934"	"C58H44Cl3N7O18"	"1231.1808"	"M+K+CF3COOH"	152.95602
"815377"	581.3564	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M"	0
"989398"	562.33801	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-H2O-H"	-19.01839
"77882"	386.563657333333	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M-3H"	-3.021828
"509909"	580.349124	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M-3H"	-3.021828
"886618"	192.778190666667	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-3H"	-3.021828
"13940"	580.349124	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M-2H"	-2.014552
"448034"	871.027324	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M-2H"	-2.014552
"829117"	289.670924	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-2H"	-2.014552
"93243"	1161.705524	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M-H"	-1.007276
"524293"	1743.061924	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M-H"	-1.007276
"899911"	580.349124	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-H"	-1.007276
"55379"	1178.732071	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M-2H+NH4"	16.019271
"496034"	1760.088471	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M-2H+NH4"	16.019271
"867274"	597.375671	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-2H+NH4"	16.019271
"44654"	1183.687466	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M-2H+Na"	20.974666
"482391"	1765.043866	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M-2H+Na"	20.974666
"862504"	602.331066	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-2H+Na"	20.974666
"1633738"	602.331066	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Na-2H"	20.974666
"108806"	598.337463	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M-H+Cl"	33.962126
"548976"	889.015663	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M-H+Cl"	33.962126
"940424"	307.659263	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-H+Cl"	33.962126
"278986"	1197.682202	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+Cl"	34.969402
"672506"	1779.038602	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+Cl"	34.969402
"1281631"	616.325802	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Cl"	34.969402
"22001"	1199.661406	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M-2H+K"	36.948606
"465936"	1781.017806	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M-2H+K"	36.948606
"845925"	618.305006	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-2H+K"	36.948606
"1560662"	618.305006	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+K-2H"	36.948606
"944170"	626.354594	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-H+HCOOH"	44.998194
"362749"	1207.711001	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+HCOOH-H"	44.998201
"347365"	1221.726651	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+Hac-H"	59.013851
"1495105"	640.370251	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Hac-H"	59.013851
"969209"	648.336551	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-H+NaCOOH"	66.980151
"120306"	616.325802	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+2Cl"	69.938804
"554397"	907.004002	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+2Cl"	69.938804
"1029757"	325.647602	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2Cl"	69.938804
"1252617"	660.275285	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Br"	78.918885
"1317983"	662.331272	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Cl+HCOOH"	80.974872
"1334875"	684.313229	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Cl+NaCOOH"	102.956829
"926418"	694.341986	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M-H+CF3COOH"	112.985586
"1303246"	730.318664	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Cl+CF3COOH"	148.962264
"1380679"	546.343724	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H-2H2O"	-35.012676
"1395988"	564.3537	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H-H2O"	-17.0027
"295673"	1163.720076	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+H"	1.007276
"688097"	1745.076476	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+H"	1.007276
"1365542"	582.363676	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H"	1.007276
"138433"	582.363676	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+2H"	2.014552
"577990"	873.041876	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+2H"	2.014552
"1047885"	291.685476	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2H"	2.014552
"214691"	388.578209333333	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+3H"	3.021828
"652066"	582.363676	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+3H"	3.021828
"1171285"	194.792742666667	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+3H"	3.021828
"437475"	1180.746623	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+NH4"	18.033823
"799199"	1762.103023	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+NH4"	18.033823
"1694436"	599.390223	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+NH4"	18.033823
"336884"	590.8769495	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+H+NH4"	19.041099
"730398"	881.5551495	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+H+NH4"	19.041099
"1485311"	300.1987495	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H+NH4"	19.041099
"403990"	1185.702018	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+Na"	22.989218
"764984"	1767.058418	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+Na"	22.989218
"1611989"	604.345618	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Na"	22.989218
"324212"	593.354647	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+H+Na"	23.996494
"714447"	884.032847	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+H+Na"	23.996494
"1463531"	302.676447	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H+Na"	23.996494
"1054954"	202.120056666667	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2H+Na"	25.00377
"1266474"	614.389886	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+CH3OH+H"	33.033486
"379582"	1201.675958	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+K"	38.963158
"743855"	1783.032358	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+K"	38.963158
"1544818"	620.319558	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+K"	38.963158
"300899"	601.341617	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+H+K"	39.970434
"696603"	892.019817	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+H+K"	39.970434
"1453706"	310.663417	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H+K"	39.970434
"240120"	1204.746626	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+ACN+H"	42.033826
"1222308"	623.390226	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+ACN+H"	42.033826
"1206921"	312.198751	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+ACN+2H"	43.041102
"200522"	1207.68396	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+2Na-H"	44.97116
"639719"	1789.04036	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+2Na-H"	44.97116
"1142861"	626.32756	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2Na-H"	44.97116
"182507"	604.345618	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+2Na"	45.978436
"618790"	895.023818	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+2Na"	45.978436
"1131217"	313.667418	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2Na"	45.978436
"1413969"	209.447370666667	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H+2Na"	46.985712
"1445479"	628.369146	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H+HCOOH"	47.012746
"233844"	609.37864	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+3H2O+2H"	56.04448
"1516795"	642.42119	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+IsoProp+H"	61.06479
"417574"	612.332588	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+Na+K"	61.952376
"784767"	903.010788	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+Na+K"	61.952376
"1675992"	321.654388	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Na+K"	61.952376
"258145"	1226.728568	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+ACN+Na"	64.015768
"1231944"	645.372168	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+ACN+Na"	64.015768
"1719737"	645.395693	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+NH4+HCOOH"	64.039293
"1186179"	216.774684666667	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+3Na"	68.967654
"1659353"	650.351088	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Na+HCOOH"	68.994688
"160751"	1239.63184	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+2K-H"	76.91904
"602497"	1820.98824	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+2K-H"	76.91904
"1087375"	658.27544	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2K-H"	76.91904
"146015"	620.319558	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"2M+2K"	77.926316
"585576"	910.997758	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"3M+2K"	77.926316
"1075557"	329.641358	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2K"	77.926316
"1104393"	660.289992	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2K+H"	78.933592
"1342960"	660.377607	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+DMSO+H"	79.021207
"1013679"	664.416776	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2ACN+H"	83.060376
"1530709"	665.410408	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+IsoProp+Na+H"	84.054008
"999344"	332.712026	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+2ACN+2H"	84.067652
"1600409"	666.325028	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+K+HCOOH"	84.968628
"1423880"	696.356538	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+H+CF3COOH"	115.000138
"1150889"	353.225301	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+3ACN+2H"	125.094202
"1699348"	713.383085	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+NH4+CF3COOH"	132.026685
"1638287"	718.33848	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+Na+CF3COOH"	136.98208
"1578313"	734.31242	"C20760"	"20-Oxo-5-O-beta-mycaminosyltylactone;23-Deoxy-5-O-beta-mycaminosyltylonolide"	"C31H51NO9"	"581.3564"	"M+K+CF3COOH"	152.95602
"808686"	376.2742	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M"	0
"980031"	357.25581	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-H2O-H"	-19.01839
"68274"	249.842190666667	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M-3H"	-3.021828
"512208"	375.266924	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M-3H"	-3.021828
"895114"	124.417457333333	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-3H"	-3.021828
"11866"	375.266924	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M-2H"	-2.014552
"450331"	563.404024	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M-2H"	-2.014552
"823758"	187.129824	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-2H"	-2.014552
"88125"	751.541124	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M-H"	-1.007276
"530602"	1127.815324	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M-H"	-1.007276
"903300"	375.266924	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-H"	-1.007276
"58405"	768.567671	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M-2H+NH4"	16.019271
"496143"	1144.841871	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M-2H+NH4"	16.019271
"870665"	392.293471	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-2H+NH4"	16.019271
"38566"	773.523066	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M-2H+Na"	20.974666
"481408"	1149.797266	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M-2H+Na"	20.974666
"861884"	397.248866	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-2H+Na"	20.974666
"1620727"	397.248866	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Na-2H"	20.974666
"97255"	393.255263	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M-H+Cl"	33.962126
"541557"	581.392363	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M-H+Cl"	33.962126
"932891"	205.118163	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-H+Cl"	33.962126
"274728"	787.517802	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+Cl"	34.969402
"669338"	1163.792002	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+Cl"	34.969402
"1285021"	411.243602	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Cl"	34.969402
"26487"	789.497006	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M-2H+K"	36.948606
"461667"	1165.771206	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M-2H+K"	36.948606
"841658"	413.222806	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-2H+K"	36.948606
"1567699"	413.222806	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+K-2H"	36.948606
"954125"	421.272394	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-H+HCOOH"	44.998194
"375259"	797.546601	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+HCOOH-H"	44.998201
"351852"	811.562251	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+Hac-H"	59.013851
"1494485"	435.288051	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Hac-H"	59.013851
"960204"	443.254351	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-H+NaCOOH"	66.980151
"118227"	411.243602	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+2Cl"	69.938804
"559976"	599.380702	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+2Cl"	69.938804
"1035338"	223.106502	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2Cl"	69.938804
"1255648"	455.193085	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Br"	78.918885
"1319068"	457.249072	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Cl+HCOOH"	80.974872
"1334743"	479.231029	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Cl+NaCOOH"	102.956829
"926530"	489.259786	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M-H+CF3COOH"	112.985586
"1303119"	525.236464	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Cl+CF3COOH"	148.962264
"1381762"	341.261524	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H-2H2O"	-35.012676
"1397192"	359.2715	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H-H2O"	-17.0027
"297606"	753.555676	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+H"	1.007276
"688208"	1129.829876	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+H"	1.007276
"1365291"	377.281476	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H"	1.007276
"140609"	377.281476	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+2H"	2.014552
"579563"	565.418576	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+2H"	2.014552
"1047635"	189.144376	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2H"	2.014552
"215536"	251.856742666667	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+3H"	3.021828
"655826"	377.281476	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+3H"	3.021828
"1175775"	126.432009333333	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+3H"	3.021828
"436497"	770.582223	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+NH4"	18.033823
"799309"	1146.856423	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+NH4"	18.033823
"1694184"	394.308023	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+NH4"	18.033823
"341367"	385.7947495	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+H+NH4"	19.041099
"736582"	573.9318495	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+H+NH4"	19.041099
"1486514"	197.6576495	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H+NH4"	19.041099
"403008"	775.537618	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+Na"	22.989218
"761813"	1151.811818	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+Na"	22.989218
"1611005"	399.263418	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Na"	22.989218
"323227"	388.272447	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+H+Na"	23.996494
"712371"	576.409547	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+H+Na"	23.996494
"1468378"	200.135347	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H+Na"	23.996494
"1056521"	133.759323333333	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2H+Na"	25.00377
"1263302"	409.307686	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+CH3OH+H"	33.033486
"384065"	791.511558	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+K"	38.963158
"745062"	1167.785758	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+K"	38.963158
"1550396"	415.237358	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+K"	38.963158
"305385"	396.259417	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+H+K"	39.970434
"703277"	584.396517	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+H+K"	39.970434
"1453813"	208.122317	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H+K"	39.970434
"244605"	794.582226	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+ACN+H"	42.033826
"1224855"	418.308026	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+ACN+H"	42.033826
"1207761"	209.657651	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+ACN+2H"	43.041102
"198443"	797.51956	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+2Na-H"	44.97116
"636909"	1173.79376	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+2Na-H"	44.97116
"1135317"	421.24536	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2Na-H"	44.97116
"182621"	399.263418	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+2Na"	45.978436
"627655"	587.400518	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+2Na"	45.978436
"1129941"	211.126318	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2Na"	45.978436
"1412617"	141.086637333333	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H+2Na"	46.985712
"1444620"	423.286946	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H+HCOOH"	47.012746
"233225"	404.29644	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+3H2O+2H"	56.04448
"1513989"	437.33899	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+IsoProp+H"	61.06479
"422424"	407.250388	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+Na+K"	61.952376
"782689"	595.387488	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+Na+K"	61.952376
"1680119"	219.113288	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Na+K"	61.952376
"262623"	816.564168	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+ACN+Na"	64.015768
"1235335"	440.289968	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+ACN+Na"	64.015768
"1719847"	440.313493	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+NH4+HCOOH"	64.039293
"1186655"	148.413951333333	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+3Na"	68.967654
"1654365"	445.268888	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Na+HCOOH"	68.994688
"163050"	829.46744	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+2K-H"	76.91904
"605525"	1205.74164	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+2K-H"	76.91904
"1089311"	453.19324	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2K-H"	76.91904
"149408"	415.237358	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"2M+2K"	77.926316
"586779"	603.374458	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"3M+2K"	77.926316
"1074573"	227.100258	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2K"	77.926316
"1109605"	455.207792	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2K+H"	78.933592
"1346352"	455.295407	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+DMSO+H"	79.021207
"1012694"	459.334576	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2ACN+H"	83.060376
"1531913"	460.328208	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+IsoProp+Na+H"	84.054008
"997267"	230.170926	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+2ACN+2H"	84.067652
"1587269"	461.242828	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+K+HCOOH"	84.968628
"1417434"	491.274338	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+H+CF3COOH"	115.000138
"1152099"	250.684201	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+3ACN+2H"	125.094202
"1702745"	508.300885	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+NH4+CF3COOH"	132.026685
"1636210"	513.25628	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+Na+CF3COOH"	136.98208
"1578426"	529.23022	"C20764"	"Phytyl phosphate"	"C20H41O4P"	"376.2742"	"M+K+CF3COOH"	152.95602
"808796"	559.1332	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M"	0
"979048"	540.11481	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H2O-H"	-19.01839
"71664"	371.748190666667	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-3H"	-3.021828
"515598"	558.125924	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-3H"	-3.021828
"893400"	185.370457333333	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-3H"	-3.021828
"15013"	558.125924	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H"	-2.014552
"451535"	837.692524	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H"	-2.014552
"823868"	278.559324	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H"	-2.014552
"88235"	1117.259124	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-H"	-1.007276
"526702"	1676.392324	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-H"	-1.007276
"904504"	558.125924	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H"	-1.007276
"55599"	1134.285671	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H+NH4"	16.019271
"500387"	1693.418871	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H+NH4"	16.019271
"870775"	575.152471	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H+NH4"	16.019271
"41957"	1139.241066	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H+Na"	20.974666
"479330"	1698.374266	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H+Na"	20.974666
"860413"	580.107866	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H+Na"	20.974666
"1623387"	580.107866	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na-2H"	20.974666
"99188"	576.114263	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-H+Cl"	33.962126
"536560"	855.680863	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-H+Cl"	33.962126
"928991"	296.547663	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+Cl"	33.962126
"272652"	1153.235802	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Cl"	34.969402
"669447"	1712.369002	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+Cl"	34.969402
"1285131"	594.102602	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl"	34.969402
"26596"	1155.215006	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M-2H+K"	36.948606
"459597"	1714.348206	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M-2H+K"	36.948606
"841768"	596.081806	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-2H+K"	36.948606
"1568537"	596.081806	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K-2H"	36.948606
"952048"	604.131394	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+HCOOH"	44.998194
"372450"	1163.264601	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+HCOOH-H"	44.998201
"354149"	1177.280251	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Hac-H"	59.013851
"1494960"	618.147051	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Hac-H"	59.013851
"959949"	626.113351	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+NaCOOH"	66.980151
"117245"	594.102602	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2Cl"	69.938804
"558993"	873.669202	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2Cl"	69.938804
"1034354"	314.536002	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2Cl"	69.938804
"1256000"	638.052085	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Br"	78.918885
"1318568"	640.108072	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl+HCOOH"	80.974872
"1334123"	662.090029	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl+NaCOOH"	102.956829
"922748"	672.118786	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M-H+CF3COOH"	112.985586
"1303105"	708.095464	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Cl+CF3COOH"	148.962264
"1381992"	524.120524	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H-2H2O"	-35.012676
"1396937"	542.1305	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H-H2O"	-17.0027
"297717"	1119.273676	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H"	1.007276
"688318"	1678.406876	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H"	1.007276
"1363573"	560.140476	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H"	1.007276
"140110"	560.140476	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2H"	2.014552
"580400"	839.707076	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2H"	2.014552
"1050295"	280.573876	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2H"	2.014552
"216739"	373.762742666667	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+3H"	3.021828
"658122"	560.140476	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+3H"	3.021828
"1176736"	187.385009333333	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+3H"	3.021828
"436607"	1136.300223	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+NH4"	18.033823
"800027"	1695.433423	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+NH4"	18.033823
"1694293"	577.167023	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+NH4"	18.033823
"342570"	568.6537495	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H+NH4"	19.041099
"737178"	848.2203495	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H+NH4"	19.041099
"1487717"	289.0871495	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+NH4"	19.041099
"405303"	1141.255618	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Na"	22.989218
"763017"	1700.388818	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+Na"	22.989218
"1612208"	582.122418	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na"	22.989218
"323337"	571.131447	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H+Na"	23.996494
"715761"	850.698047	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H+Na"	23.996494
"1468487"	291.564847	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+Na"	23.996494
"1059548"	194.712323333333	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2H+Na"	25.00377
"1261591"	592.166686	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+CH3OH+H"	33.033486
"384174"	1157.229558	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+K"	38.963158
"745172"	1716.362758	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+K"	38.963158
"1550506"	598.096358	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K"	38.963158
"306588"	579.118417	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+H+K"	39.970434
"703387"	858.685017	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+H+K"	39.970434
"1449552"	299.551817	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+K"	39.970434
"246902"	1160.300226	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+H"	42.033826
"1224964"	601.167026	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+ACN+H"	42.033826
"1206412"	301.087151	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+ACN+2H"	43.041102
"196365"	1163.23756	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2Na-H"	44.97116
"635925"	1722.37076	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2Na-H"	44.97116
"1136155"	604.10436	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2Na-H"	44.97116
"184918"	582.122418	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2Na"	45.978436
"627523"	861.689018	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2Na"	45.978436
"1130056"	302.555818	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2Na"	45.978436
"1413217"	202.039637333333	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+2Na"	46.985712
"1443639"	606.145946	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+HCOOH"	47.012746
"233334"	587.15544	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+3H2O+2H"	56.04448
"1522848"	620.19799	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+H"	61.06479
"419980"	590.109388	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+Na+K"	61.952376
"776601"	869.675988	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+Na+K"	61.952376
"1675120"	310.542788	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na+K"	61.952376
"261640"	1182.282168	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+ACN+Na"	64.015768
"1234349"	623.148968	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+ACN+Na"	64.015768
"1722144"	623.172493	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+NH4+HCOOH"	64.039293
"1186405"	209.366951333333	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+3Na"	68.967654
"1656298"	628.127888	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na+HCOOH"	68.994688
"162065"	1195.18544	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2K-H"	76.91904
"602718"	1754.31864	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2K-H"	76.91904
"1093795"	636.05224	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2K-H"	76.91904
"150611"	598.096358	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"2M+2K"	77.926316
"589075"	877.662958	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"3M+2K"	77.926316
"1073589"	318.529758	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2K"	77.926316
"1109715"	638.066792	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2K+H"	78.933592
"1346097"	638.154407	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+DMSO+H"	79.021207
"1012804"	642.193576	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+H"	83.060376
"1530930"	643.187208	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+IsoProp+Na+H"	84.054008
"996283"	321.600426	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+2ACN+2H"	84.067652
"1590787"	644.101828	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K+HCOOH"	84.968628
"1416086"	674.133338	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+H+CF3COOH"	115.000138
"1152209"	342.113701	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+3ACN+2H"	125.094202
"1702854"	691.159885	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+NH4+CF3COOH"	132.026685
"1635225"	696.11528	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+Na+CF3COOH"	136.98208
"1578536"	712.08922	"C20765"	"dTDP-beta-L-evernosamine;dTDP-3-amino-236-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose"	"C18H31N3O13P2"	"559.1332"	"M+K+CF3COOH"	152.95602
"808906"	575.1281	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M"	0
"979158"	556.10971	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-H2O-H"	-19.01839
"70681"	382.411457333333	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M-3H"	-3.021828
"512428"	574.120824	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M-3H"	-3.021828
"893510"	190.702090666667	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-3H"	-3.021828
"14274"	574.120824	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H"	-2.014552
"451645"	861.684874	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H"	-2.014552
"827258"	286.556774	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H"	-2.014552
"86156"	1149.248924	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M-H"	-1.007276
"526812"	1724.377024	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M-H"	-1.007276
"904613"	574.120824	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-H"	-1.007276
"52427"	1166.275471	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H+NH4"	16.019271
"496366"	1741.403571	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H+NH4"	16.019271
"871978"	591.147371	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H+NH4"	16.019271
"38785"	1171.230866	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H+Na"	20.974666
"476159"	1746.358966	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H+Na"	20.974666
"857242"	596.102766	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H+Na"	20.974666
"1622768"	596.102766	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na-2H"	20.974666
"99298"	592.109163	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M-H+Cl"	33.962126
"539586"	879.673213	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M-H+Cl"	33.962126
"928737"	304.545113	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+Cl"	33.962126
"269482"	1185.225602	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Cl"	34.969402
"666277"	1760.353702	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+Cl"	34.969402
"1284148"	610.097502	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl"	34.969402
"26342"	1187.204806	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M-2H+K"	36.948606
"459707"	1762.332906	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M-2H+K"	36.948606
"839691"	612.076706	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-2H+K"	36.948606
"1565367"	612.076706	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+K-2H"	36.948606
"949971"	620.126294	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+HCOOH"	44.998194
"369281"	1195.254401	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+HCOOH-H"	44.998201
"350978"	1209.270051	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Hac-H"	59.013851
"1492837"	634.141951	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Hac-H"	59.013851
"961881"	642.108251	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+NaCOOH"	66.980151
"112615"	610.097502	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2Cl"	69.938804
"556916"	897.661552	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2Cl"	69.938804
"1032277"	322.533452	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2Cl"	69.938804
"1252949"	654.046985	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Br"	78.918885
"1319731"	656.102972	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl+HCOOH"	80.974872
"1329612"	678.084929	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl+NaCOOH"	102.956829
"921763"	688.113686	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M-H+CF3COOH"	112.985586
"1301389"	724.090364	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Cl+CF3COOH"	148.962264
"1379914"	540.115424	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H-2H2O"	-35.012676
"1394860"	558.1254	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H-H2O"	-17.0027
"297098"	1151.263476	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H"	1.007276
"688428"	1726.391576	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H"	1.007276
"1364776"	576.135376	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H"	1.007276
"138762"	576.135376	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2H"	2.014552
"578320"	863.699426	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2H"	2.014552
"1051862"	288.571326	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2H"	2.014552
"218669"	384.426009333333	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+3H"	3.021828
"658471"	576.135376	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+3H"	3.021828
"1171611"	192.716642666667	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+3H"	3.021828
"437800"	1168.290023	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+NH4"	18.033823
"800136"	1743.418123	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+NH4"	18.033823
"1695128"	593.161923	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+NH4"	18.033823
"342679"	584.6486495	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H+NH4"	19.041099
"737895"	872.2126995	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H+NH4"	19.041099
"1489649"	297.0845995	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+NH4"	19.041099
"403227"	1173.245418	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Na"	22.989218
"760941"	1748.373518	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+Na"	22.989218
"1609039"	598.117318	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na"	22.989218
"320168"	587.126347	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H+Na"	23.996494
"714778"	874.690397	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H+Na"	23.996494
"1466411"	299.562297	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+Na"	23.996494
"1058565"	200.043956666667	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2H+Na"	25.00377
"1262430"	608.161586	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+CH3OH+H"	33.033486
"384284"	1189.219358	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+K"	38.963158
"745282"	1764.347458	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+K"	38.963158
"1550616"	614.091258	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+K"	38.963158
"308884"	595.113317	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+H+K"	39.970434
"704226"	882.677367	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+H+K"	39.970434
"1450755"	307.549267	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+K"	39.970434
"247012"	1192.290026	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+ACN+H"	42.033826
"1224952"	617.161926	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+ACN+H"	42.033826
"1206886"	309.084601	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+ACN+2H"	43.041102
"196475"	1195.22736	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2Na-H"	44.97116
"634943"	1770.35546	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2Na-H"	44.97116
"1139542"	620.09926	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2Na-H"	44.97116
"185028"	598.117318	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2Na"	45.978436
"620214"	885.681368	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2Na"	45.978436
"1130166"	310.553268	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2Na"	45.978436
"1409432"	207.371270666667	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+2Na"	46.985712
"1444114"	622.140846	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+HCOOH"	47.012746
"233688"	603.15034	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+3H2O+2H"	56.04448
"1521498"	636.19289	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+IsoProp+H"	61.06479
"421183"	606.104288	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+Na+K"	61.952376
"778898"	893.668338	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+Na+K"	61.952376
"1675230"	318.540238	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na+K"	61.952376
"258470"	1214.271968	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+ACN+Na"	64.015768
"1234459"	639.143868	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+ACN+Na"	64.015768
"1722253"	639.167393	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+NH4+HCOOH"	64.039293
"1186515"	214.698584666667	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+3Na"	68.967654
"1657501"	644.122788	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na+HCOOH"	68.994688
"165454"	1227.17524	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2K-H"	76.91904
"602828"	1802.30334	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2K-H"	76.91904
"1093905"	652.04714	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2K-H"	76.91904
"150721"	614.091258	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"2M+2K"	77.926316
"591010"	901.655308	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"3M+2K"	77.926316
"1075886"	326.527208	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2K"	77.926316
"1109094"	654.061692	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2K+H"	78.933592
"1346572"	654.149307	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+DMSO+H"	79.021207
"1016924"	658.188476	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2ACN+H"	83.060376
"1528853"	659.182108	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+IsoProp+Na+H"	84.054008
"995300"	329.597876	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+2ACN+2H"	84.067652
"1589804"	660.096728	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+K+HCOOH"	84.968628
"1416925"	690.128238	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+H+CF3COOH"	115.000138
"1153412"	350.111151	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+3ACN+2H"	125.094202
"1702964"	707.154785	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+NH4+CF3COOH"	132.026685
"1635700"	712.11018	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+Na+CF3COOH"	136.98208
"1578646"	728.08412	"C20766"	"dTDP-N-hydroxy-beta-L-evernosamine"	"C18H31N3O14P2"	"575.1281"	"M+K+CF3COOH"	152.95602
"815577"	573.1125	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M"	0
"980361"	554.09411	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-H2O-H"	-19.01839
"71884"	381.067724	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M-3H"	-3.021828
"515454"	572.105224	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M-3H"	-3.021828
"893620"	190.030224	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-3H"	-3.021828
"15112"	572.105224	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M-2H"	-2.014552
"452848"	858.661474	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M-2H"	-2.014552
"826275"	285.548974	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-2H"	-2.014552
"86266"	1145.217724	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M-H"	-1.007276
"525829"	1718.330224	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M-H"	-1.007276
"901443"	572.105224	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-H"	-1.007276
"50350"	1162.244271	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M-2H+NH4"	16.019271
"496475"	1735.356771	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M-2H+NH4"	16.019271
"868808"	589.131771	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-2H+NH4"	16.019271
"38895"	1167.199666	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M-2H+Na"	20.974666
"473595"	1740.312166	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M-2H+Na"	20.974666
"857352"	594.087166	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-2H+Na"	20.974666
"1623607"	594.087166	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Na-2H"	20.974666
"99408"	590.093563	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M-H+Cl"	33.962126
"538603"	876.649813	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M-H+Cl"	33.962126
"932127"	303.537313	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-H+Cl"	33.962126
"269956"	1181.194402	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+Cl"	34.969402
"666387"	1754.306902	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+Cl"	34.969402
"1284987"	608.081902	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Cl"	34.969402
"21350"	1183.173606	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M-2H+K"	36.948606
"462005"	1756.286106	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M-2H+K"	36.948606
"838712"	610.061106	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-2H+K"	36.948606
"1560012"	610.061106	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+K-2H"	36.948606
"950082"	618.110694	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-H+HCOOH"	44.998194
"369391"	1191.223201	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+HCOOH-H"	44.998201
"347442"	1205.238851	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+Hac-H"	59.013851
"1493475"	632.126351	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Hac-H"	59.013851
"960534"	640.092651	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-H+NaCOOH"	66.980151
"113451"	608.081902	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+2Cl"	69.938804
"554839"	894.638152	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+2Cl"	69.938804
"1030200"	321.525652	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2Cl"	69.938804
"1253058"	652.031385	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Br"	78.918885
"1313320"	654.087372	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Cl+HCOOH"	80.974872
"1325349"	676.069329	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Cl+NaCOOH"	102.956829
"922967"	686.098086	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M-H+CF3COOH"	112.985586
"1302593"	722.074764	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Cl+CF3COOH"	148.962264
"1377837"	538.099824	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H-2H2O"	-35.012676
"1394242"	556.1098	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H-H2O"	-17.0027
"295020"	1147.232276	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+H"	1.007276
"687445"	1720.344776	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+H"	1.007276
"1361606"	574.119776	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H"	1.007276
"137778"	574.119776	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+2H"	2.014552
"577337"	860.676026	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+2H"	2.014552
"1048326"	287.563526	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2H"	2.014552
"215864"	383.082276	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+3H"	3.021828
"654694"	574.119776	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+3H"	3.021828
"1170992"	192.044776	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+3H"	3.021828
"434995"	1164.258823	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+NH4"	18.033823
"798180"	1737.371323	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+NH4"	18.033823
"1692322"	591.146323	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+NH4"	18.033823
"338414"	582.6330495	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+H+NH4"	19.041099
"729744"	869.1892995	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+H+NH4"	19.041099
"1486843"	296.0767995	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H+NH4"	19.041099
"400055"	1169.214218	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+Na"	22.989218
"758862"	1742.326718	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+Na"	22.989218
"1605868"	596.101718	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Na"	22.989218
"321370"	585.110747	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+H+Na"	23.996494
"712698"	871.666997	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+H+Na"	23.996494
"1464334"	298.554497	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H+Na"	23.996494
"1054055"	199.37209	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2H+Na"	25.00377
"1263633"	606.145986	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+CH3OH+H"	33.033486
"382209"	1185.188158	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+K"	38.963158
"742112"	1758.300658	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+K"	38.963158
"1548540"	612.075658	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+K"	38.963158
"307902"	593.097717	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+H+K"	39.970434
"701419"	879.653967	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+H+K"	39.970434
"1451958"	306.541467	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H+K"	39.970434
"243842"	1188.258826	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+ACN+H"	42.033826
"1222385"	615.146326	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+ACN+H"	42.033826
"1204807"	308.076801	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+ACN+2H"	43.041102
"191118"	1191.19616	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+2Na-H"	44.97116
"630071"	1764.30866	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+2Na-H"	44.97116
"1136371"	618.08366	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2Na-H"	44.97116
"177110"	596.101718	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+2Na"	45.978436
"614855"	882.657968	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+2Na"	45.978436
"1128205"	309.545468	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2Na"	45.978436
"1409542"	206.699404	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H+2Na"	46.985712
"1444951"	620.125246	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H+HCOOH"	47.012746
"235012"	601.13474	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+3H2O+2H"	56.04448
"1523194"	634.17729	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+IsoProp+H"	61.06479
"418012"	604.088688	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+Na+K"	61.952376
"781194"	890.644938	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+Na+K"	61.952376
"1675340"	317.532438	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Na+K"	61.952376
"259672"	1210.240768	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+ACN+Na"	64.015768
"1236756"	637.128268	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+ACN+Na"	64.015768
"1720176"	637.151793	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+NH4+HCOOH"	64.039293
"1188810"	214.026718	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+3Na"	68.967654
"1656517"	642.107188	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Na+HCOOH"	68.994688
"163377"	1223.14404	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+2K-H"	76.91904
"600752"	1796.25654	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+2K-H"	76.91904
"1095108"	650.03154	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2K-H"	76.91904
"149737"	612.075658	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"2M+2K"	77.926316
"590391"	898.631908	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"3M+2K"	77.926316
"1074903"	325.519408	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2K"	77.926316
"1107018"	652.046092	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2K+H"	78.933592
"1346317"	652.133707	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+DMSO+H"	79.021207
"1015212"	656.172876	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2ACN+H"	83.060376
"1527870"	657.166508	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+IsoProp+Na+H"	84.054008
"993224"	328.590076	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+2ACN+2H"	84.067652
"1588942"	658.081128	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+K+HCOOH"	84.968628
"1415942"	688.112638	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+H+CF3COOH"	115.000138
"1153522"	349.103351	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+3ACN+2H"	125.094202
"1703074"	705.139185	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+NH4+CF3COOH"	132.026685
"1635810"	710.09458	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+Na+CF3COOH"	136.98208
"1578756"	726.06852	"C20767"	"dTDP-236-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose"	"C18H29N3O14P2"	"573.1125"	"M+K+CF3COOH"	152.95602
"815686"	591.0867	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M"	0
"978283"	572.06831	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-H2O-H"	-19.01839
"71994"	393.050524	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M-3H"	-3.021828
"514835"	590.079424	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M-3H"	-3.021828
"888262"	196.021624	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-3H"	-3.021828
"14127"	590.079424	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H"	-2.014552
"448585"	885.622774	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H"	-2.014552
"827478"	294.536074	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H"	-2.014552
"88562"	1181.166124	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M-H"	-1.007276
"528125"	1772.252824	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M-H"	-1.007276
"903740"	590.079424	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-H"	-1.007276
"52647"	1198.192671	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H+NH4"	16.019271
"497678"	1789.279371	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H+NH4"	16.019271
"872198"	607.105971	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H+NH4"	16.019271
"45201"	1203.148066	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H+Na"	20.974666
"476379"	1794.234766	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H+Na"	20.974666
"860742"	612.061366	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H+Na"	20.974666
"1621895"	612.061366	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na-2H"	20.974666
"106808"	608.067763	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M-H+Cl"	33.962126
"537620"	903.611113	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M-H+Cl"	33.962126
"937704"	312.524413	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+Cl"	33.962126
"273346"	1217.142802	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Cl"	34.969402
"669777"	1808.229502	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+Cl"	34.969402
"1286191"	626.056102	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl"	34.969402
"22553"	1219.122006	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H+K"	36.948606
"463208"	1810.208706	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H+K"	36.948606
"836634"	628.035306	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H+K"	36.948606
"1565590"	628.035306	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+K-2H"	36.948606
"954566"	636.084894	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+HCOOH"	44.998194
"370594"	1227.171601	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+HCOOH-H"	44.998201
"351926"	1241.187251	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Hac-H"	59.013851
"1494197"	650.100551	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Hac-H"	59.013851
"962467"	658.066851	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+NaCOOH"	66.980151
"116481"	626.056102	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2Cl"	69.938804
"559322"	921.599452	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2Cl"	69.938804
"1031402"	330.512752	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2Cl"	69.938804
"1252074"	670.005585	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Br"	78.918885
"1315617"	672.061572	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl+HCOOH"	80.974872
"1330925"	694.043529	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl+NaCOOH"	102.956829
"923079"	704.072286	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+CF3COOH"	112.985586
"1300880"	740.048964	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl+CF3COOH"	148.962264
"1379041"	556.074024	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H-2H2O"	-35.012676
"1395445"	574.084	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H-H2O"	-17.0027
"297318"	1183.180676	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H"	1.007276
"691243"	1774.267376	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H"	1.007276
"1364998"	592.093976	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H"	1.007276
"140801"	592.093976	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2H"	2.014552
"580731"	887.637326	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2H"	2.014552
"1048439"	296.550626	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2H"	2.014552
"218889"	395.065076	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+3H"	3.021828
"659056"	592.093976	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+3H"	3.021828
"1174018"	198.036176	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+3H"	3.021828
"437292"	1200.207223	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+NH4"	18.033823
"800355"	1791.293923	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+NH4"	18.033823
"1695712"	609.120523	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+NH4"	18.033823
"341803"	600.6072495	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H+NH4"	19.041099
"735321"	896.1505995	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H+NH4"	19.041099
"1488046"	305.0638995	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+NH4"	19.041099
"401259"	1205.162618	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Na"	22.989218
"762252"	1796.249318	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+Na"	22.989218
"1610351"	614.075918	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na"	22.989218
"322575"	603.084947	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H+Na"	23.996494
"713902"	898.628297	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H+Na"	23.996494
"1464444"	307.541597	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+Na"	23.996494
"1055502"	205.36349	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2H+Na"	25.00377
"1260464"	624.120186	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+CH3OH+H"	33.033486
"384506"	1221.136558	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+K"	38.963158
"746597"	1812.223258	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+K"	38.963158
"1554482"	630.049858	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+K"	38.963158
"308012"	611.071917	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H+K"	39.970434
"701528"	906.615267	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H+K"	39.970434
"1456077"	315.528567	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+K"	39.970434
"246867"	1224.207226	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+ACN+H"	42.033826
"1221765"	633.120526	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+ACN+H"	42.033826
"1205649"	317.063901	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+ACN+2H"	43.041102
"192320"	1227.14456	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2Na-H"	44.97116
"636255"	1818.23126	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2Na-H"	44.97116
"1138666"	636.05786	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2Na-H"	44.97116
"180135"	614.075918	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2Na"	45.978436
"615691"	909.619268	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2Na"	45.978436
"1128315"	318.532568	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2Na"	45.978436
"1406005"	212.690804	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+2Na"	46.985712
"1439582"	638.099446	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+HCOOH"	47.012746
"235675"	619.10894	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+3H2O+2H"	56.04448
"1523878"	652.15149	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+IsoProp+H"	61.06479
"421402"	622.062888	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Na+K"	61.952376
"785196"	917.606238	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+Na+K"	61.952376
"1673262"	326.519538	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na+K"	61.952376
"259783"	1246.189168	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+ACN+Na"	64.015768
"1237594"	655.102468	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+ACN+Na"	64.015768
"1720286"	655.125993	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+NH4+HCOOH"	64.039293
"1184546"	220.018118	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+3Na"	68.967654
"1658810"	660.081388	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na+HCOOH"	68.994688
"162394"	1259.09244	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2K-H"	76.91904
"604139"	1850.17914	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2K-H"	76.91904
"1088658"	668.00574	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2K-H"	76.91904
"149846"	630.049858	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2K"	77.926316
"594512"	925.593208	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2K"	77.926316
"1073920"	334.506508	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2K"	77.926316
"1106037"	670.020292	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2K+H"	78.933592
"1347158"	670.107907	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+DMSO+H"	79.021207
"1017875"	674.147076	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2ACN+H"	83.060376
"1530166"	675.140708	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+IsoProp+Na+H"	84.054008
"996614"	337.577176	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+2ACN+2H"	84.067652
"1588931"	676.055328	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+K+HCOOH"	84.968628
"1417874"	706.086838	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+CF3COOH"	115.000138
"1152539"	358.090451	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+3ACN+2H"	125.094202
"1702091"	723.113385	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+NH4+CF3COOH"	132.026685
"1636649"	728.06878	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na+CF3COOH"	136.98208
"1578866"	744.04272	"C20768"	"UDP-2-acetamido-26-dideoxy-beta-L-talose;UDP-N-acetyl-beta-L-pneumosamine"	"C17H27N3O16P2"	"591.0867"	"M+K+CF3COOH"	152.95602
"809231"	355.1784	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M"	0
"984951"	336.16001	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-H2O-H"	-19.01839
"63013"	235.778324	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M-3H"	-3.021828
"504009"	354.171124	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M-3H"	-3.021828
"883997"	117.385524	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-3H"	-3.021828
"4759"	354.171124	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M-2H"	-2.014552
"444320"	531.760324	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M-2H"	-2.014552
"824306"	176.581924	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-2H"	-2.014552
"86486"	709.349524	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M-H"	-1.007276
"521672"	1064.527924	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M-H"	-1.007276
"901661"	354.171124	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-H"	-1.007276
"56035"	726.376071	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M-2H+NH4"	16.019271
"492314"	1081.554471	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M-2H+NH4"	16.019271
"866838"	371.197671	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-2H+NH4"	16.019271
"32673"	731.331466	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M-2H+Na"	20.974666
"472115"	1086.509866	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M-2H+Na"	20.974666
"851012"	376.153066	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-2H+Na"	20.974666
"1622005"	376.153066	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Na-2H"	20.974666
"98171"	372.159463	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M-H+Cl"	33.962126
"534439"	549.748663	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M-H+Cl"	33.962126
"932348"	194.570263	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-H+Cl"	33.962126
"273456"	745.326202	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+Cl"	34.969402
"668794"	1100.504602	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+Cl"	34.969402
"1280104"	390.147802	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Cl"	34.969402
"24850"	747.305406	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M-2H+K"	36.948606
"462225"	1102.483806	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M-2H+K"	36.948606
"835651"	392.127006	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-2H+K"	36.948606
"1556586"	392.127006	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+K-2H"	36.948606
"948115"	400.176594	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-H+HCOOH"	44.998194
"373985"	755.355001	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+HCOOH-H"	44.998201
"349850"	769.370651	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+Hac-H"	59.013851
"1495400"	414.192251	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Hac-H"	59.013851
"961848"	422.158551	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-H+NaCOOH"	66.980151
"114403"	390.147802	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+2Cl"	69.938804
"554329"	567.737002	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+2Cl"	69.938804
"1031513"	212.558602	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2Cl"	69.938804
"1252185"	434.097285	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Br"	78.918885
"1313540"	436.153272	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Cl+HCOOH"	80.974872
"1327755"	458.135229	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Cl+NaCOOH"	102.956829
"913347"	468.163986	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M-H+CF3COOH"	112.985586
"1297710"	504.140664	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Cl+CF3COOH"	148.962264
"1376964"	320.165724	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H-2H2O"	-35.012676
"1388995"	338.1757	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H-H2O"	-17.0027
"295969"	711.364076	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+H"	1.007276
"689486"	1066.542476	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+H"	1.007276
"1362919"	356.185676	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H"	1.007276
"139818"	356.185676	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+2H"	2.014552
"580718"	533.774876	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+2H"	2.014552
"1048547"	178.596476	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2H"	2.014552
"215356"	237.792876	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+3H"	3.021828
"657099"	356.185676	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+3H"	3.021828
"1173035"	119.400076	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+3H"	3.021828
"437401"	728.390623	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+NH4"	18.033823
"799492"	1083.569023	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+NH4"	18.033823
"1694729"	373.212223	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+NH4"	18.033823
"340820"	364.6989495	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+H+NH4"	19.041099
"736521"	542.2881495	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+H+NH4"	19.041099
"1488156"	187.1097495	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H+NH4"	19.041099
"400276"	733.346018	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+Na"	22.989218
"762362"	1088.524418	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+Na"	22.989218
"1611554"	378.167618	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Na"	22.989218
"323778"	367.176647	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+H+Na"	23.996494
"715105"	544.765847	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+H+Na"	23.996494
"1466739"	189.587447	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H+Na"	23.996494
"1058894"	126.72739	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2H+Na"	25.00377
"1259479"	388.211886	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+CH3OH+H"	33.033486
"381336"	749.319958	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+K"	38.963158
"744521"	1104.498358	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+K"	38.963158
"1553866"	394.141558	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+K"	38.963158
"311038"	375.163617	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+H+K"	39.970434
"703460"	552.752817	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+H+K"	39.970434
"1456187"	197.574417	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H+K"	39.970434
"246248"	752.390626	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+ACN+H"	42.033826
"1221147"	397.212226	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+ACN+H"	42.033826
"1206124"	199.109751	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+ACN+2H"	43.041102
"193525"	755.32796	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+2Na-H"	44.97116
"634179"	1110.50636	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+2Na-H"	44.97116
"1138779"	400.14956	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2Na-H"	44.97116
"174418"	378.167618	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+2Na"	45.978436
"616168"	555.756818	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+2Na"	45.978436
"1126238"	200.578418	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2Na"	45.978436
"1407576"	134.054704	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H+2Na"	46.985712
"1445325"	402.191146	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H+HCOOH"	47.012746
"235469"	383.20064	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+3H2O+2H"	56.04448
"1524151"	416.24319	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+IsoProp+H"	61.06479
"421512"	386.154588	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+Na+K"	61.952376
"782509"	563.743788	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+Na+K"	61.952376
"1676651"	208.565388	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Na+K"	61.952376
"258801"	774.372568	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+ACN+Na"	64.015768
"1236975"	419.194168	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+ACN+Na"	64.015768
"1721489"	419.217693	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+NH4+HCOOH"	64.039293
"1185749"	141.382018	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+3Na"	68.967654
"1655642"	424.173088	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Na+HCOOH"	68.994688
"162504"	787.27584	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+2K-H"	76.91904
"603159"	1142.45424	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+2K-H"	76.91904
"1090954"	432.09744	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2K-H"	76.91904
"147772"	394.141558	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"2M+2K"	77.926316
"594257"	571.730758	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"3M+2K"	77.926316
"1075124"	216.552358	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2K"	77.926316
"1108334"	434.111992	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2K+H"	78.933592
"1348361"	434.199607	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+DMSO+H"	79.021207
"1019079"	438.238776	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2ACN+H"	83.060376
"1528088"	439.232408	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+IsoProp+Na+H"	84.054008
"995629"	219.623026	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+2ACN+2H"	84.067652
"1588311"	440.147028	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+K+HCOOH"	84.968628
"1420171"	470.178538	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+H+CF3COOH"	115.000138
"1151555"	240.136301	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+3ACN+2H"	125.094202
"1702201"	487.205085	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+NH4+CF3COOH"	132.026685
"1635666"	492.16048	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+Na+CF3COOH"	136.98208
"1573508"	508.13442	"C20770"	"N-Methylpavine"	"C21H25NO4"	"355.1784"	"M+K+CF3COOH"	152.95602
"802780"	341.1627	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M"	0
"986153"	322.14431	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-H2O-H"	-19.01839
"72211"	226.434524	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M-3H"	-3.021828
"509585"	340.155424	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M-3H"	-3.021828
"890667"	112.713624	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-3H"	-3.021828
"11428"	340.155424	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M-2H"	-2.014552
"450990"	510.736774	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M-2H"	-2.014552
"823323"	169.574074	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-2H"	-2.014552
"89512"	681.318124	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M-H"	-1.007276
"525062"	1022.480824	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M-H"	-1.007276
"906145"	340.155424	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-H"	-1.007276
"56145"	698.344671	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M-2H+NH4"	16.019271
"492424"	1039.507371	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M-2H+NH4"	16.019271
"870228"	357.181971	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-2H+NH4"	16.019271
"35213"	703.300066	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M-2H+Na"	20.974666
"474411"	1044.462766	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M-2H+Na"	20.974666
"854402"	362.137366	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-2H+Na"	20.974666
"1628311"	362.137366	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Na-2H"	20.974666
"98279"	358.143763	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M-H+Cl"	33.962126
"537107"	528.725113	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M-H+Cl"	33.962126
"939017"	187.562413	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-H+Cl"	33.962126
"275389"	717.294802	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+Cl"	34.969402
"666717"	1058.457502	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+Cl"	34.969402
"1276933"	376.132102	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Cl"	34.969402
"22773"	719.274006	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M-2H+K"	36.948606
"463428"	1060.436706	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M-2H+K"	36.948606
"837948"	378.111306	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-2H+K"	36.948606
"1557791"	378.111306	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+K-2H"	36.948606
"949319"	386.160894	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-H+HCOOH"	44.998194
"374096"	727.323601	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+HCOOH-H"	44.998201
"348501"	741.339251	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+Hac-H"	59.013851
"1496239"	400.176551	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Hac-H"	59.013851
"960500"	408.142851	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-H+NaCOOH"	66.980151
"113421"	376.132102	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+2Cl"	69.938804
"551158"	546.713452	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+2Cl"	69.938804
"1028340"	205.550752	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2Cl"	69.938804
"1251199"	420.081585	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Br"	78.918885
"1311462"	422.137572	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Cl+HCOOH"	80.974872
"1327863"	444.119529	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Cl+NaCOOH"	102.956829
"914550"	454.148286	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M-H+CF3COOH"	112.985586
"1294539"	490.124964	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Cl+CF3COOH"	148.962264
"1372701"	306.150024	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H-2H2O"	-35.012676
"1392385"	324.16	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H-H2O"	-17.0027
"288789"	683.332676	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+H"	1.007276
"686680"	1024.495376	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+H"	1.007276
"1363031"	342.169976	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H"	1.007276
"137012"	342.169976	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+2H"	2.014552
"579733"	512.751326	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+2H"	2.014552
"1049749"	171.588626	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2H"	2.014552
"215465"	228.449076	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+3H"	3.021828
"657209"	342.169976	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+3H"	3.021828
"1172052"	114.728176	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+3H"	3.021828
"437511"	700.359223	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+NH4"	18.033823
"797415"	1041.521923	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+NH4"	18.033823
"1693746"	359.196523	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+NH4"	18.033823
"339837"	350.6832495	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+H+NH4"	19.041099
"735538"	521.2645995	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+H+NH4"	19.041099
"1488266"	180.1018995	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H+NH4"	19.041099
"399292"	705.314618	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+Na"	22.989218
"761379"	1046.477318	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+Na"	22.989218
"1607293"	364.151918	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Na"	22.989218
"320608"	353.160947	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+H+Na"	23.996494
"710844"	523.742297	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+H+Na"	23.996494
"1465758"	182.579597	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H+Na"	23.996494
"1059003"	122.05549	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2H+Na"	25.00377
"1261778"	374.196186	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+CH3OH+H"	33.033486
"383634"	721.288558	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+K"	38.963158
"746818"	1062.451258	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+K"	38.963158
"1554098"	380.125858	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+K"	38.963158
"311514"	361.147917	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+H+K"	39.970434
"703934"	531.729267	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+H+K"	39.970434
"1455933"	190.566567	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H+K"	39.970434
"245265"	724.359226	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+ACN+H"	42.033826
"1223078"	383.196526	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+ACN+H"	42.033826
"1208057"	192.101901	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+ACN+2H"	43.041102
"194731"	727.29656	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+2Na-H"	44.97116
"636477"	1068.45926	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+2Na-H"	44.97116
"1135611"	386.13386	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2Na-H"	44.97116
"176716"	364.151918	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+2Na"	45.978436
"616276"	534.733268	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+2Na"	45.978436
"1124161"	193.570568	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2Na"	45.978436
"1407686"	129.382804	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H+2Na"	46.985712
"1439802"	388.175446	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H+HCOOH"	47.012746
"234850"	369.18494	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+3H2O+2H"	56.04448
"1523723"	402.22749	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+IsoProp+H"	61.06479
"420894"	372.138888	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+Na+K"	61.952376
"783350"	542.720238	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+Na+K"	61.952376
"1677127"	201.557538	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Na+K"	61.952376
"257816"	746.341168	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+ACN+Na"	64.015768
"1235627"	405.178468	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+ACN+Na"	64.015768
"1723058"	405.201993	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+NH4+HCOOH"	64.039293
"1187682"	136.710118	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+3Na"	68.967654
"1656849"	410.157388	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Na+HCOOH"	68.994688
"166625"	759.24444	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+2K-H"	76.91904
"606187"	1100.40714	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+2K-H"	76.91904
"1094346"	418.08174	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2K-H"	76.91904
"152985"	380.125858	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"2M+2K"	77.926316
"594732"	550.707208	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"3M+2K"	77.926316
"1079610"	209.544508	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2K"	77.926316
"1110266"	420.096292	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2K+H"	78.933592
"1348107"	420.183907	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+DMSO+H"	79.021207
"1019189"	424.223076	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2ACN+H"	83.060376
"1532939"	425.216708	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+IsoProp+Na+H"	84.054008
"997927"	212.615176	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+2ACN+2H"	84.067652
"1588300"	426.131328	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+K+HCOOH"	84.968628
"1419188"	456.162838	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+H+CF3COOH"	115.000138
"1151665"	233.128451	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+3ACN+2H"	125.094202
"1701218"	473.189385	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+NH4+CF3COOH"	132.026685
"1635169"	478.14478	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+Na+CF3COOH"	136.98208
"1573618"	494.11872	"C20771"	"(-)-Pavine"	"C20H23NO4"	"341.1627"	"M+K+CF3COOH"	152.95602
"802889"	208.0372	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M"	0
"978609"	189.01881	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-H2O-H"	-19.01839
"65761"	137.684190666667	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M-3H"	-3.021828
"506415"	207.029924	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M-3H"	-3.021828
"890777"	68.3384573333333	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-3H"	-3.021828
"12632"	207.029924	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M-2H"	-2.014552
"451100"	311.048524	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M-2H"	-2.014552
"824526"	103.011324	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-2H"	-2.014552
"89986"	415.067124	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M-H"	-1.007276
"521527"	623.104324	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M-H"	-1.007276
"900788"	207.029924	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-H"	-1.007276
"51881"	432.093671	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M-2H+NH4"	16.019271
"488399"	640.130871	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M-2H+NH4"	16.019271
"870338"	224.056471	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-2H+NH4"	16.019271
"35323"	437.049066	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M-2H+Na"	20.974666
"475250"	645.086266	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M-2H+Na"	20.974666
"854512"	229.011866	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-2H+Na"	20.974666
"1622589"	229.011866	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Na-2H"	20.974666
"97294"	225.018263	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M-H+Cl"	33.962126
"536854"	329.036863	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M-H+Cl"	33.962126
"938761"	120.999663	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-H+Cl"	33.962126
"279870"	451.043802	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+Cl"	34.969402
"672293"	659.081002	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+Cl"	34.969402
"1277043"	243.006602	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Cl"	34.969402
"21790"	453.023006	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M-2H+K"	36.948606
"460258"	661.060206	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M-2H+K"	36.948606
"834778"	244.985806	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-2H+K"	36.948606
"1558266"	244.985806	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+K-2H"	36.948606
"943269"	253.035394	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-H+HCOOH"	44.998194
"365093"	461.072601	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+HCOOH-H"	44.998201
"354809"	475.088251	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+Hac-H"	59.013851
"1497442"	267.051051	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Hac-H"	59.013851
"959517"	275.017351	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-H+NaCOOH"	66.980151
"111463"	243.006602	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+2Cl"	69.938804
"551266"	347.025202	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+2Cl"	69.938804
"1022981"	138.988002	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2Cl"	69.938804
"1243654"	286.956085	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Br"	78.918885
"1304644"	289.012072	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Cl+HCOOH"	80.974872
"1324691"	310.994029	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Cl+NaCOOH"	102.956829
"912101"	321.022786	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M-H+CF3COOH"	112.985586
"1294648"	356.999464	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Cl+CF3COOH"	148.962264
"1367828"	173.024524	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H-2H2O"	-35.012676
"1394681"	191.0345	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H-H2O"	-17.0027
"285619"	417.081676	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+H"	1.007276
"683510"	625.118876	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+H"	1.007276
"1360954"	209.044476	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H"	1.007276
"130561"	209.044476	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+2H"	2.014552
"574499"	313.063076	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+2H"	2.014552
"1047673"	105.025876	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2H"	2.014552
"216302"	139.698742666667	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+3H"	3.021828
"654039"	209.044476	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+3H"	3.021828
"1172162"	70.3530093333333	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+3H"	3.021828
"435435"	434.108223	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+NH4"	18.033823
"796432"	642.145423	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+NH4"	18.033823
"1691672"	226.071023	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+NH4"	18.033823
"342136"	217.5577495	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+H+NH4"	19.041099
"736742"	321.5763495	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+H+NH4"	19.041099
"1487281"	113.5391495	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H+NH4"	19.041099
"402681"	439.063618	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+Na"	22.989218
"759302"	647.100818	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+Na"	22.989218
"1607401"	231.026418	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Na"	22.989218
"318531"	220.035447	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+H+Na"	23.996494
"709861"	324.054047	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+H+Na"	23.996494
"1461615"	116.016847	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H+Na"	23.996494
"1054737"	77.6803233333333	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2H+Na"	25.00377
"1260793"	241.070686	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+CH3OH+H"	33.033486
"382649"	455.037558	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+K"	38.963158
"746927"	663.074758	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+K"	38.963158
"1552260"	247.000358	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+K"	38.963158
"311622"	228.022417	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+H+K"	39.970434
"697482"	332.041017	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+H+K"	39.970434
"1451303"	124.003817	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H+K"	39.970434
"247561"	458.108226	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+ACN+H"	42.033826
"1222093"	250.071026	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+ACN+H"	42.033826
"1207925"	125.539151	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+ACN+2H"	43.041102
"195934"	461.04556	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+2Na-H"	44.97116
"635495"	669.08276	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+2Na-H"	44.97116
"1140095"	253.00836	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2Na-H"	44.97116
"176096"	231.026418	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+2Na"	45.978436
"618573"	335.045018	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+2Na"	45.978436
"1124269"	127.007818	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2Na"	45.978436
"1405607"	85.0076373333333	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H+2Na"	46.985712
"1439912"	255.049946	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H+HCOOH"	47.012746
"230705"	236.05944	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+3H2O+2H"	56.04448
"1520954"	269.10199	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+IsoProp+H"	61.06479
"419183"	239.013388	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+Na+K"	61.952376
"780908"	343.031988	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+Na+K"	61.952376
"1674686"	134.994788	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Na+K"	61.952376
"255375"	480.090168	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+ACN+Na"	64.015768
"1233187"	272.052968	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+ACN+Na"	64.015768
"1720617"	272.076493	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+NH4+HCOOH"	64.039293
"1186700"	92.3349513333333	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+3Na"	68.967654
"1657321"	277.031888	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Na+HCOOH"	68.994688
"164915"	492.99344	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+2K-H"	76.91904
"605933"	701.03064	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+2K-H"	76.91904
"1088990"	284.95624	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2K-H"	76.91904
"156501"	247.000358	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"2M+2K"	77.926316
"595452"	351.018958	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"3M+2K"	77.926316
"1074978"	142.981758	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2K"	77.926316
"1106366"	286.970792	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2K+H"	78.933592
"1348582"	287.058407	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+DMSO+H"	79.021207
"1019909"	291.097576	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2ACN+H"	83.060376
"1532684"	292.091208	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+IsoProp+Na+H"	84.054008
"998040"	146.052426	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+2ACN+2H"	84.067652
"1587313"	293.005828	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+K+HCOOH"	84.968628
"1417111"	323.037338	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+H+CF3COOH"	115.000138
"1150682"	166.565701	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+3ACN+2H"	125.094202
"1697192"	340.063885	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+NH4+CF3COOH"	132.026685
"1635886"	345.01928	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+Na+CF3COOH"	136.98208
"1573728"	360.99322	"C20772"	"3-(1-Carboxyvinyl)oxybenzoate;3-(1-Carboxyethenyl)oxybenzoic acid"	"C10H8O5"	"208.0372"	"M+K+CF3COOH"	152.95602
"802390"	413.1335	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M"	0
"979813"	394.11511	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-H2O-H"	-19.01839
"65871"	274.415057333333	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M-3H"	-3.021828
"509805"	412.126224	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M-3H"	-3.021828
"887607"	136.703890666667	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-3H"	-3.021828
"13471"	412.126224	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M-2H"	-2.014552
"452303"	618.692974	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M-2H"	-2.014552
"824636"	205.559474	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-2H"	-2.014552
"90096"	825.259724	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M-H"	-1.007276
"520909"	1238.393224	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M-H"	-1.007276
"899805"	412.126224	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-H"	-1.007276
"51991"	842.286271	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M-2H+NH4"	16.019271
"488147"	1255.419771	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M-2H+NH4"	16.019271
"870448"	429.152771	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-2H+NH4"	16.019271
"36162"	847.241666	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M-2H+Na"	20.974666
"475360"	1260.375166	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M-2H+Na"	20.974666
"857902"	434.108166	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-2H+Na"	20.974666
"1621971"	434.108166	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Na-2H"	20.974666
"97404"	430.114563	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M-H+Cl"	33.962126
"538423"	636.681313	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M-H+Cl"	33.962126
"938871"	223.547813	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-H+Cl"	33.962126
"281806"	861.236402	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+Cl"	34.969402
"674347"	1274.369902	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+Cl"	34.969402
"1285899"	448.102902	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Cl"	34.969402
"27367"	863.215606	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M-2H+K"	36.948606
"465834"	1276.349106	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M-2H+K"	36.948606
"841448"	450.082106	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-2H+K"	36.948606
"1557646"	450.082106	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+K-2H"	36.948606
"943178"	458.131694	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-H+HCOOH"	44.998194
"365568"	871.265201	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+HCOOH-H"	44.998201
"354918"	885.280851	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+Hac-H"	59.013851
"1499376"	472.147351	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Hac-H"	59.013851
"965825"	480.113651	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-H+NaCOOH"	66.980151
"112178"	448.102902	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+2Cl"	69.938804
"550045"	654.669652	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+2Cl"	69.938804
"1022725"	241.536152	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2Cl"	69.938804
"1248137"	492.052385	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Br"	78.918885
"1304876"	494.108372	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Cl+HCOOH"	80.974872
"1323708"	516.090329	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Cl+NaCOOH"	102.956829
"913672"	526.119086	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M-H+CF3COOH"	112.985586
"1290019"	562.095764	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Cl+CF3COOH"	148.962264
"1370733"	378.120824	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H-2H2O"	-35.012676
"1389324"	396.1308	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H-H2O"	-17.0027
"283054"	827.274276	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+H"	1.007276
"681433"	1240.407776	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+H"	1.007276
"1358876"	414.140776	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H"	1.007276
"129212"	414.140776	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+2H"	2.014552
"577888"	620.707526	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+2H"	2.014552
"1048876"	207.574026	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2H"	2.014552
"214590"	276.429609333333	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+3H"	3.021828
"654149"	414.140776	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+3H"	3.021828
"1173364"	138.718442666667	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+3H"	3.021828
"434451"	844.300823	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+NH4"	18.033823
"797635"	1257.434323	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+NH4"	18.033823
"1691780"	431.167323	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+NH4"	18.033823
"340059"	422.6540495	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+H+NH4"	19.041099
"735760"	629.2207995	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+H+NH4"	19.041099
"1486297"	216.0872995	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H+NH4"	19.041099
"402791"	849.256218	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+Na"	22.989218
"755402"	1262.389718	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+Na"	22.989218
"1606418"	436.122718	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Na"	22.989218
"318641"	425.131747	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+H+Na"	23.996494
"708878"	631.698497	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+H+Na"	23.996494
"1462572"	218.564997	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H+Na"	23.996494
"1054848"	146.045756666667	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2H+Na"	25.00377
"1260174"	446.166986	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+CH3OH+H"	33.033486
"384946"	865.230158	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+K"	38.963158
"745944"	1278.363658	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+K"	38.963158
"1552370"	452.096658	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+K"	38.963158
"312826"	433.118717	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+H+K"	39.970434
"700873"	639.685467	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+H+K"	39.970434
"1452506"	226.551967	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H+K"	39.970434
"248400"	868.300826	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+ACN+H"	42.033826
"1222932"	455.167326	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+ACN+H"	42.033826
"1209007"	228.087301	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+ACN+2H"	43.041102
"197138"	871.23816	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+2Na-H"	44.97116
"636697"	1284.37166	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+2Na-H"	44.97116
"1142391"	458.10466	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2Na-H"	44.97116
"181308"	436.122718	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+2Na"	45.978436
"620869"	642.689468	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+2Na"	45.978436
"1124379"	229.555968	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2Na"	45.978436
"1405717"	153.373070666667	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H+2Na"	46.985712
"1441114"	460.146246	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H+HCOOH"	47.012746
"232270"	441.15574	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+3H2O+2H"	56.04448
"1520335"	474.19829	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+IsoProp+H"	61.06479
"420022"	444.109688	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+Na+K"	61.952376
"781382"	650.676438	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+Na+K"	61.952376
"1674066"	237.542938	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Na+K"	61.952376
"258037"	890.282768	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+ACN+Na"	64.015768
"1234025"	477.149268	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+ACN+Na"	64.015768
"1721091"	477.172793	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+NH4+HCOOH"	64.039293
"1187904"	160.700384666667	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+3Na"	68.967654
"1658162"	482.128188	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Na+HCOOH"	68.994688
"165753"	903.18604	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+2K-H"	76.91904
"606407"	1316.31954	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+2K-H"	76.91904
"1090193"	490.05254	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2K-H"	76.91904
"156004"	452.096658	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"2M+2K"	77.926316
"595199"	658.663408	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"3M+2K"	77.926316
"1075453"	245.529908	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2K"	77.926316
"1107570"	492.067092	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2K+H"	78.933592
"1350033"	492.154707	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+DMSO+H"	79.021207
"1020018"	496.193876	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2ACN+H"	83.060376
"1533888"	497.187508	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+IsoProp+Na+H"	84.054008
"1000334"	248.600576	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+2ACN+2H"	84.067652
"1589370"	498.102128	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+K+HCOOH"	84.968628
"1417221"	528.133638	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+H+CF3COOH"	115.000138
"1150792"	269.113851	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+3ACN+2H"	125.094202
"1697424"	545.160185	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+NH4+CF3COOH"	132.026685
"1634415"	550.11558	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+Na+CF3COOH"	136.98208
"1573838"	566.08952	"C20773"	"6-Amino-6-deoxyfutalosine"	"C19H19N5O6"	"413.1335"	"M+K+CF3COOH"	152.95602
"801651"	591.0867	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M"	0
"979923"	572.06831	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-H2O-H"	-19.01839
"63307"	393.050524	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M-3H"	-3.021828
"506635"	590.079424	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M-3H"	-3.021828
"884436"	196.021624	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-3H"	-3.021828
"10665"	590.079424	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H"	-2.014552
"445852"	885.622774	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H"	-2.014552
"823653"	294.536074	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H"	-2.014552
"88020"	1181.166124	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M-H"	-1.007276
"521383"	1772.252824	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M-H"	-1.007276
"899915"	590.079424	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-H"	-1.007276
"49915"	1198.192671	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H+NH4"	16.019271
"488745"	1789.279371	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H+NH4"	16.019271
"867278"	607.105971	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H+NH4"	16.019271
"34813"	1203.148066	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H+Na"	20.974666
"474013"	1794.234766	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H+Na"	20.974666
"854732"	612.061366	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H+Na"	20.974666
"1625361"	612.061366	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na-2H"	20.974666
"96422"	608.067763	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M-H+Cl"	33.962126
"537074"	903.611113	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M-H+Cl"	33.962126
"934970"	312.524413	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+Cl"	33.962126
"282402"	1217.142802	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Cl"	34.969402
"672512"	1808.229502	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+Cl"	34.969402
"1281633"	626.056102	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl"	34.969402
"18728"	1219.122006	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M-2H+K"	36.948606
"467038"	1810.208706	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M-2H+K"	36.948606
"839371"	628.035306	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-2H+K"	36.948606
"1559579"	628.035306	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+K-2H"	36.948606
"944546"	636.084894	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+HCOOH"	44.998194
"367865"	1227.171601	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+HCOOH-H"	44.998201
"356121"	1241.187251	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Hac-H"	59.013851
"1502767"	650.100551	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Hac-H"	59.013851
"967029"	658.066851	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+NaCOOH"	66.980151
"112652"	626.056102	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2Cl"	69.938804
"551240"	921.599452	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2Cl"	69.938804
"1023200"	330.512752	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2Cl"	69.938804
"1246060"	670.005585	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Br"	78.918885
"1306688"	672.061572	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl+HCOOH"	80.974872
"1324913"	694.043529	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl+NaCOOH"	102.956829
"914878"	704.072286	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M-H+CF3COOH"	112.985586
"1289762"	740.048964	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Cl+CF3COOH"	148.962264
"1367436"	556.074024	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H-2H2O"	-35.012676
"1387246"	574.084	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H-H2O"	-17.0027
"282944"	1183.180676	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H"	1.007276
"681907"	1774.267376	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H"	1.007276
"1358986"	592.093976	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H"	1.007276
"130051"	592.093976	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2H"	2.014552
"574719"	887.637326	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2H"	2.014552
"1045705"	296.550626	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2H"	2.014552
"212514"	395.065076	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+3H"	3.021828
"653165"	592.093976	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+3H"	3.021828
"1170194"	198.036176	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+3H"	3.021828
"433467"	1200.207223	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+NH4"	18.033823
"795558"	1791.293923	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+NH4"	18.033823
"1688609"	609.120523	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+NH4"	18.033823
"339076"	600.6072495	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H+NH4"	19.041099
"733682"	896.1505995	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H+NH4"	19.041099
"1487503"	305.0638995	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+NH4"	19.041099
"402902"	1205.162618	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Na"	22.989218
"763897"	1796.249318	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+Na"	22.989218
"1604340"	614.075918	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na"	22.989218
"319843"	603.084947	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H+Na"	23.996494
"707184"	898.628297	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H+Na"	23.996494
"1461708"	307.541597	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+Na"	23.996494
"1053379"	205.36349	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2H+Na"	25.00377
"1259920"	624.120186	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+CH3OH+H"	33.033486
"385056"	1221.136558	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+K"	38.963158
"747147"	1812.223258	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+K"	38.963158
"1552480"	630.049858	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+K"	38.963158
"308562"	611.071917	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+H+K"	39.970434
"697703"	906.615267	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+H+K"	39.970434
"1451523"	315.528567	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+K"	39.970434
"247417"	1224.207226	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+ACN+H"	42.033826
"1223042"	633.120526	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+ACN+H"	42.033826
"1207656"	317.063901	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+ACN+2H"	43.041102
"199435"	1227.14456	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2Na-H"	44.97116
"635714"	1818.23126	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2Na-H"	44.97116
"1138127"	636.05786	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2Na-H"	44.97116
"180325"	614.075918	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2Na"	45.978436
"622073"	909.619268	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2Na"	45.978436
"1121208"	318.532568	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2Na"	45.978436
"1406919"	212.690804	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+2Na"	46.985712
"1437945"	638.099446	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+HCOOH"	47.012746
"232015"	619.10894	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+3H2O+2H"	56.04448
"1521170"	652.15149	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+IsoProp+H"	61.06479
"419402"	622.062888	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+Na+K"	61.952376
"782584"	917.606238	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+Na+K"	61.952376
"1672719"	326.519538	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na+K"	61.952376
"260334"	1246.189168	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+ACN+Na"	64.015768
"1234136"	655.102468	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+ACN+Na"	64.015768
"1722658"	655.125993	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+NH4+HCOOH"	64.039293
"1188379"	220.018118	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+3Na"	68.967654
"1658272"	660.081388	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na+HCOOH"	68.994688
"166227"	1259.09244	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2K-H"	76.91904
"605790"	1850.17914	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2K-H"	76.91904
"1093584"	668.00574	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2K-H"	76.91904
"154412"	630.049858	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"2M+2K"	77.926316
"595065"	925.593208	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"3M+2K"	77.926316
"1073377"	334.506508	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2K"	77.926316
"1107681"	670.020292	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2K+H"	78.933592
"1349898"	670.107907	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+DMSO+H"	79.021207
"1019156"	674.147076	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2ACN+H"	83.060376
"1532904"	675.140708	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+IsoProp+Na+H"	84.054008
"1002632"	337.577176	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+2ACN+2H"	84.067652
"1590574"	676.055328	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+K+HCOOH"	84.968628
"1415508"	706.086838	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+H+CF3COOH"	115.000138
"1147623"	358.090451	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+3ACN+2H"	125.094202
"1697025"	723.113385	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+NH4+CF3COOH"	132.026685
"1634321"	728.06878	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+Na+CF3COOH"	136.98208
"1571761"	744.04272	"C20774"	"UDP-N-acetyl-beta-L-fucosamine"	"C17H27N3O16P2"	"591.0867"	"M+K+CF3COOH"	152.95602
"803220"	321.0696	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M"	0
"981126"	302.05121	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-H2O-H"	-19.01839
"66091"	213.039124	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M-3H"	-3.021828
"506745"	320.062324	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M-3H"	-3.021828
"887826"	106.015924	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-3H"	-3.021828
"6401"	320.062324	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M-2H"	-2.014552
"443045"	480.597124	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M-2H"	-2.014552
"822668"	159.527524	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-2H"	-2.014552
"87036"	641.131924	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M-H"	-1.007276
"523315"	962.201524	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M-H"	-1.007276
"905492"	320.062324	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-H"	-1.007276
"50389"	658.158471	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M-2H+NH4"	16.019271
"488611"	979.228071	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M-2H+NH4"	16.019271
"865562"	337.088871	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-2H+NH4"	16.019271
"32857"	663.113866	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M-2H+Na"	20.974666
"474487"	984.183466	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M-2H+Na"	20.974666
"854842"	342.044266	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-2H+Na"	20.974666
"1625471"	342.044266	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Na-2H"	20.974666
"98719"	338.050663	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M-H+Cl"	33.962126
"538279"	498.585463	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M-H+Cl"	33.962126
"938362"	177.515863	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-H+Cl"	33.962126
"281904"	677.108602	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+Cl"	34.969402
"672622"	998.178202	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+Cl"	34.969402
"1281743"	356.039002	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Cl"	34.969402
"17136"	679.087806	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M-2H+K"	36.948606
"460586"	1000.157406	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M-2H+K"	36.948606
"836201"	358.018206	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-2H+K"	36.948606
"1557502"	358.018206	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+K-2H"	36.948606
"944291"	366.067794	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-H+HCOOH"	44.998194
"366881"	687.137401	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+HCOOH-H"	44.998201
"352952"	701.153051	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+Hac-H"	59.013851
"1501784"	380.083451	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Hac-H"	59.013851
"964951"	388.049751	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-H+NaCOOH"	66.980151
"112034"	356.039002	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+2Cl"	69.938804
"551958"	516.573802	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+2Cl"	69.938804
"1022581"	195.504202	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2Cl"	69.938804
"1241918"	399.988485	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Br"	78.918885
"1304238"	402.044472	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Cl+HCOOH"	80.974872
"1325021"	424.026429	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Cl+NaCOOH"	102.956829
"917172"	434.055186	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M-H+CF3COOH"	112.985586
"1290602"	470.031864	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Cl+CF3COOH"	148.962264
"1369856"	286.056924	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H-2H2O"	-35.012676
"1383345"	304.0669	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H-H2O"	-17.0027
"282987"	643.146476	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+H"	1.007276
"681653"	964.216076	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+H"	1.007276
"1358002"	322.076876	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H"	1.007276
"129797"	322.076876	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+2H"	2.014552
"575921"	482.611676	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+2H"	2.014552
"1046908"	161.542076	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2H"	2.014552
"212623"	215.053676	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+3H"	3.021828
"653275"	322.076876	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+3H"	3.021828
"1169211"	108.030476	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+3H"	3.021828
"434671"	660.173023	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+NH4"	18.033823
"796761"	981.242623	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+NH4"	18.033823
"1689813"	339.103423	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+NH4"	18.033823
"342466"	330.5901495	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+H+NH4"	19.041099
"732699"	491.1249495	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+H+NH4"	19.041099
"1487614"	170.0553495	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H+NH4"	19.041099
"400825"	665.128418	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+Na"	22.989218
"764006"	986.198018	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+Na"	22.989218
"1607729"	344.058818	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Na"	22.989218
"322140"	333.067847	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+H+Na"	23.996494
"707123"	493.602647	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+H+Na"	23.996494
"1461578"	172.533047	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H+Na"	23.996494
"1053125"	115.35779	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2H+Na"	25.00377
"1257152"	354.103086	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+CH3OH+H"	33.033486
"379699"	681.102358	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+K"	38.963158
"742883"	1002.171958	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+K"	38.963158
"1549310"	360.032758	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+K"	38.963158
"307579"	341.054817	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+H+K"	39.970434
"697813"	501.589617	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+H+K"	39.970434
"1451632"	180.520017	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H+K"	39.970434
"247890"	684.173026	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+ACN+H"	42.033826
"1217318"	363.103426	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+ACN+H"	42.033826
"1205579"	182.055351	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+ACN+2H"	43.041102
"196265"	687.11036	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+2Na-H"	44.97116
"635824"	1008.17996	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+2Na-H"	44.97116
"1140424"	366.04076	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2Na-H"	44.97116
"181528"	344.058818	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+2Na"	45.978436
"622183"	504.593618	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+2Na"	45.978436
"1123505"	183.524018	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2Na"	45.978436
"1407029"	122.685104	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H+2Na"	46.985712
"1439143"	368.082346	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H+HCOOH"	47.012746
"229935"	349.09184	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+3H2O+2H"	56.04448
"1518000"	382.13439	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+IsoProp+H"	61.06479
"413316"	352.045788	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+Na+K"	61.952376
"780872"	512.580588	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+Na+K"	61.952376
"1672829"	191.510988	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Na+K"	61.952376
"257164"	706.154968	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+ACN+Na"	64.015768
"1229872"	385.085368	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+ACN+Na"	64.015768
"1720946"	385.108893	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+NH4+HCOOH"	64.039293
"1188488"	130.012418	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+3Na"	68.967654
"1658383"	390.064288	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Na+HCOOH"	68.994688
"166338"	719.05824	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+2K-H"	76.91904
"605898"	1040.12784	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+2K-H"	76.91904
"1091507"	397.98864	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2K-H"	76.91904
"153791"	360.032758	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"2M+2K"	77.926316
"595905"	520.567558	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"3M+2K"	77.926316
"1073487"	199.497958	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2K"	77.926316
"1108885"	400.003192	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2K+H"	78.933592
"1350859"	400.090807	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+DMSO+H"	79.021207
"1019994"	404.129976	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2ACN+H"	83.060376
"1531921"	405.123608	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+IsoProp+Na+H"	84.054008
"1000556"	202.568626	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+2ACN+2H"	84.067652
"1593964"	406.038228	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+K+HCOOH"	84.968628
"1415010"	436.069738	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+H+CF3COOH"	115.000138
"1147854"	223.081901	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+3ACN+2H"	125.094202
"1697157"	453.096285	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+NH4+CF3COOH"	132.026685
"1634395"	458.05168	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+Na+CF3COOH"	136.98208
"1574057"	474.02562	"C20775"	"beta-Citryl-L-glutamate;beta-Citrylglutamate"	"C11H15NO10"	"321.0696"	"M+K+CF3COOH"	152.95602
"806614"	433.1333	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M"	0
"974838"	414.11491	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-H2O-H"	-19.01839
"66200"	287.748257333333	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M-3H"	-3.021828
"511226"	432.126024	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M-3H"	-3.021828
"880362"	143.370490666667	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-3H"	-3.021828
"5418"	432.126024	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M-2H"	-2.014552
"441697"	648.692674	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M-2H"	-2.014552
"819863"	215.559374	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-2H"	-2.014552
"80219"	865.259324	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M-H"	-1.007276
"523791"	1298.392624	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M-H"	-1.007276
"897580"	432.126024	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-H"	-1.007276
"49040"	882.285871	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M-2H+NH4"	16.019271
"490788"	1315.419171	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M-2H+NH4"	16.019271
"865064"	449.152571	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-2H+NH4"	16.019271
"35035"	887.241266	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M-2H+Na"	20.974666
"474961"	1320.374566	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M-2H+Na"	20.974666
"854952"	454.107966	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-2H+Na"	20.974666
"1625581"	454.107966	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Na-2H"	20.974666
"98098"	450.114363	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M-H+Cl"	33.962126
"536929"	666.681013	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M-H+Cl"	33.962126
"938472"	233.547713	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-H+Cl"	33.962126
"281045"	901.236002	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+Cl"	34.969402
"673583"	1334.369302	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+Cl"	34.969402
"1284769"	468.102702	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Cl"	34.969402
"25508"	903.215206	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M-2H+K"	36.948606
"459600"	1336.348506	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M-2H+K"	36.948606
"838497"	470.081906	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-2H+K"	36.948606
"1560892"	470.081906	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+K-2H"	36.948606
"945494"	478.131494	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-H+HCOOH"	44.998194
"369179"	911.264801	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+HCOOH-H"	44.998201
"354155"	925.280451	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+Hac-H"	59.013851
"1501894"	492.147151	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Hac-H"	59.013851
"966154"	500.113451	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-H+NaCOOH"	66.980151
"111780"	468.102702	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+2Cl"	69.938804
"550608"	684.669352	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+2Cl"	69.938804
"1023054"	251.536052	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2Cl"	69.938804
"1241907"	512.052185	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Br"	78.918885
"1307634"	514.108172	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Cl+HCOOH"	80.974872
"1322944"	536.090129	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Cl+NaCOOH"	102.956829
"912181"	546.118886	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M-H+CF3COOH"	112.985586
"1288930"	582.095564	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Cl+CF3COOH"	148.962264
"1367779"	398.120624	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H-2H2O"	-35.012676
"1383455"	416.1306	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H-H2O"	-17.0027
"284602"	867.273876	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+H"	1.007276
"679941"	1300.407176	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+H"	1.007276
"1362487"	434.140576	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H"	1.007276
"132095"	434.140576	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+2H"	2.014552
"573846"	650.707226	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+2H"	2.014552
"1044833"	217.573926	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2H"	2.014552
"208362"	289.762809333333	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+3H"	3.021828
"652293"	434.140576	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+3H"	3.021828
"1172606"	145.385042666667	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+3H"	3.021828
"429318"	884.300423	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+NH4"	18.033823
"793595"	1317.433723	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+NH4"	18.033823
"1692110"	451.167123	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+NH4"	18.033823
"342575"	442.6538495	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+H+NH4"	19.041099
"733903"	659.2204995	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+H+NH4"	19.041099
"1487721"	226.0871995	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H+NH4"	19.041099
"403851"	889.255818	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+Na"	22.989218
"755002"	1322.389118	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+Na"	22.989218
"1603828"	456.122518	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Na"	22.989218
"315206"	445.131547	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+H+Na"	23.996494
"707465"	661.698197	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+H+Na"	23.996494
"1465213"	228.564897	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H+Na"	23.996494
"1054203"	152.712356666667	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2H+Na"	25.00377
"1258074"	466.166786	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+CH3OH+H"	33.033486
"379810"	905.229758	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+K"	38.963158
"742994"	1338.363058	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+K"	38.963158
"1548326"	472.096458	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+K"	38.963158
"304408"	453.118517	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+H+K"	39.970434
"699017"	669.685167	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+H+K"	39.970434
"1451743"	236.551867	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H+K"	39.970434
"243629"	908.300426	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+ACN+H"	42.033826
"1217432"	475.167126	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+ACN+H"	42.033826
"1202409"	238.087201	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+ACN+2H"	43.041102
"197469"	911.23776	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+2Na-H"	44.97116
"635934"	1344.37106	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+2Na-H"	44.97116
"1139441"	478.10446	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2Na-H"	44.97116
"180545"	456.122518	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+2Na"	45.978436
"620106"	672.689168	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+2Na"	45.978436
"1120697"	239.555868	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2Na"	45.978436
"1406044"	160.039670666667	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H+2Na"	46.985712
"1439255"	480.146046	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H+HCOOH"	47.012746
"233574"	461.15554	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+3H2O+2H"	56.04448
"1521031"	494.19809	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+IsoProp+H"	61.06479
"417796"	464.109488	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+Na+K"	61.952376
"781347"	680.676138	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+Na+K"	61.952376
"1676219"	247.542838	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Na+K"	61.952376
"258369"	930.282368	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+ACN+Na"	64.015768
"1228159"	497.149068	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+ACN+Na"	64.015768
"1717048"	497.172593	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+NH4+HCOOH"	64.039293
"1181673"	167.366984666667	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+3Na"	68.967654
"1654117"	502.127988	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Na+HCOOH"	68.994688
"162072"	943.18564	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+2K-H"	76.91904
"601633"	1376.31894	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+2K-H"	76.91904
"1089429"	510.05234	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2K-H"	76.91904
"149526"	472.096458	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"2M+2K"	77.926316
"584710"	688.663108	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"3M+2K"	77.926316
"1073597"	255.529808	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2K"	77.926316
"1105714"	512.066892	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2K+H"	78.933592
"1341000"	512.154507	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+DMSO+H"	79.021207
"1009531"	516.193676	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2ACN+H"	83.060376
"1529842"	517.187308	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+IsoProp+Na+H"	84.054008
"997384"	258.600476	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+2ACN+2H"	84.067652
"1594074"	518.101928	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+K+HCOOH"	84.968628
"1418649"	548.133438	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+H+CF3COOH"	115.000138
"1153313"	279.113751	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+3ACN+2H"	125.094202
"1710519"	565.159985	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+NH4+CF3COOH"	132.026685
"1635235"	570.11538	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+Na+CF3COOH"	136.98208
"1574167"	586.08932	"C20776"	"N-Acetylaspartylglutamylglutamate;N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate;NAAG2"	"C16H23N3O11"	"433.1333"	"M+K+CF3COOH"	152.95602
"803440"	784.4973	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M"	0
"980252"	765.47891	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-H2O-H"	-19.01839
"65216"	521.990924	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M-3H"	-3.021828
"513522"	783.490024	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M-3H"	-3.021828
"893511"	260.491824	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-3H"	-3.021828
"543"	783.490024	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M-2H"	-2.014552
"441805"	1175.738674	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M-2H"	-2.014552
"819973"	391.241374	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-2H"	-2.014552
"81785"	1567.987324	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M-H"	-1.007276
"523902"	2352.484624	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M-H"	-1.007276
"899879"	783.490024	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-H"	-1.007276
"48785"	1585.013871	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M-2H+NH4"	16.019271
"491263"	2369.511171	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M-2H+NH4"	16.019271
"866633"	800.516571	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-2H+NH4"	16.019271
"35874"	1589.969266	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M-2H+Na"	20.974666
"474706"	2374.466566	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M-2H+Na"	20.974666
"858340"	805.471966	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-2H+Na"	20.974666
"1628971"	805.471966	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Na-2H"	20.974666
"98937"	801.478363	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M-H+Cl"	33.962126
"537404"	1193.727013	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M-H+Cl"	33.962126
"937854"	409.229713	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-H+Cl"	33.962126
"281520"	1603.964002	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+Cl"	34.969402
"674061"	2388.461302	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+Cl"	34.969402
"1285975"	819.466702	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Cl"	34.969402
"29264"	1605.943206	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M-2H+K"	36.948606
"465181"	2390.440506	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M-2H+K"	36.948606
"838607"	821.445906	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-2H+K"	36.948606
"1562096"	821.445906	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+K-2H"	36.948606
"944511"	829.495494	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-H+HCOOH"	44.998194
"367102"	1613.992801	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+HCOOH-H"	44.998201
"354265"	1628.008451	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+Hac-H"	59.013851
"1499817"	843.511151	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Hac-H"	59.013851
"964079"	851.477451	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-H+NaCOOH"	66.980151
"111526"	819.466702	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+2Cl"	69.938804
"551816"	1211.715352	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+2Cl"	69.938804
"1025719"	427.218052	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2Cl"	69.938804
"1248580"	863.416185	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Br"	78.918885
"1308841"	865.472172	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Cl+HCOOH"	80.974872
"1330712"	887.454129	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Cl+NaCOOH"	102.956829
"912293"	897.482886	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M-H+CF3COOH"	112.985586
"1289727"	933.459564	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Cl+CF3COOH"	148.962264
"1368006"	749.484624	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H-2H2O"	-35.012676
"1383805"	767.4946	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H-H2O"	-17.0027
"284348"	1570.001876	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+H"	1.007276
"681874"	2354.499176	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+H"	1.007276
"1363693"	785.504576	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H"	1.007276
"132205"	785.504576	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+2H"	2.014552
"576142"	1177.753226	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+2H"	2.014552
"1048222"	393.255926	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2H"	2.014552
"213937"	524.005476	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+3H"	3.021828
"653498"	785.504576	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+3H"	3.021828
"1172715"	262.506376	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+3H"	3.021828
"431614"	1587.028423	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+NH4"	18.033823
"791516"	2371.525723	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+NH4"	18.033823
"1693315"	802.531123	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+NH4"	18.033823
"342323"	794.0178495	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+H+NH4"	19.041099
"735107"	1186.2664995	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+H+NH4"	19.041099
"1486738"	401.7691995	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H+NH4"	19.041099
"404325"	1591.983818	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+Na"	22.989218
"759853"	2376.481118	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+Na"	22.989218
"1603940"	807.486518	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Na"	22.989218
"316897"	796.495547	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+H+Na"	23.996494
"709318"	1188.744197	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+H+Na"	23.996494
"1463138"	404.246897	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H+Na"	23.996494
"1056016"	269.83369	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2H+Na"	25.00377
"1259156"	817.530786	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+CH3OH+H"	33.033486
"378099"	1607.957758	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+K"	38.963158
"740188"	2392.455058	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+K"	38.963158
"1547344"	823.460458	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+K"	38.963158
"303425"	804.482517	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+H+K"	39.970434
"701315"	1196.731167	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+H+K"	39.970434
"1450761"	412.233867	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H+K"	39.970434
"244833"	1611.028426	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+ACN+H"	42.033826
"1218636"	826.531126	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+ACN+H"	42.033826
"1205801"	413.769201	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+ACN+2H"	43.041102
"197579"	1613.96576	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+2Na-H"	44.97116
"636047"	2398.46306	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+2Na-H"	44.97116
"1137364"	829.46846	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2Na-H"	44.97116
"182842"	807.486518	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+2Na"	45.978436
"621309"	1199.735168	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+2Na"	45.978436
"1121536"	415.237868	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2Na"	45.978436
"1405062"	277.161004	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H+2Na"	46.985712
"1439365"	831.510046	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H+HCOOH"	47.012746
"229064"	812.51954	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+3H2O+2H"	56.04448
"1521866"	845.56209	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+IsoProp+H"	61.06479
"416817"	815.473488	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+Na+K"	61.952376
"779999"	1207.722138	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+Na+K"	61.952376
"1675966"	423.224838	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Na+K"	61.952376
"259570"	1633.010368	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+ACN+Na"	64.015768
"1233373"	848.513068	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+ACN+Na"	64.015768
"1718980"	848.536593	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+NH4+HCOOH"	64.039293
"1181054"	284.488318	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+3Na"	68.967654
"1650093"	853.491988	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Na+HCOOH"	68.994688
"158172"	1645.91364	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+2K-H"	76.91904
"601742"	2430.41094	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+2K-H"	76.91904
"1093912"	861.41634	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2K-H"	76.91904
"151823"	823.460458	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"2M+2K"	77.926316
"594663"	1215.709108	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"3M+2K"	77.926316
"1080270"	431.211808	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2K"	77.926316
"1105825"	863.430892	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2K+H"	78.933592
"1338929"	863.518507	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+DMSO+H"	79.021207
"1021066"	867.557676	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2ACN+H"	83.060376
"1534328"	868.551308	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+IsoProp+Na+H"	84.054008
"1000776"	434.282476	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+2ACN+2H"	84.067652
"1599651"	869.465928	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+K+HCOOH"	84.968628
"1418759"	899.497438	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+H+CF3COOH"	115.000138
"1153423"	454.795751	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+3ACN+2H"	125.094202
"1710629"	916.523985	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+NH4+CF3COOH"	132.026685
"1634532"	921.47938	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+Na+CF3COOH"	136.98208
"1574278"	937.45332	"C20777"	"Gypenoside LXXV;Ginsenoside LXXV"	"C42H72O13"	"784.4973"	"M+K+CF3COOH"	152.95602
"803550"	784.4973	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M"	0
"983642"	765.47891	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-H2O-H"	-19.01839
"63868"	521.990924	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M-3H"	-3.021828
"514726"	783.490024	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M-3H"	-3.021828
"891433"	260.491824	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-3H"	-3.021828
"3448"	783.490024	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M-2H"	-2.014552
"443009"	1175.738674	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M-2H"	-2.014552
"818990"	391.241374	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-2H"	-2.014552
"82989"	1567.987324	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M-H"	-1.007276
"519997"	2352.484624	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M-H"	-1.007276
"897194"	783.490024	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-H"	-1.007276
"48891"	1585.013871	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M-2H+NH4"	16.019271
"488821"	2369.511171	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M-2H+NH4"	16.019271
"865163"	800.516571	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-2H+NH4"	16.019271
"35984"	1589.969266	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M-2H+Na"	20.974666
"474086"	2374.466566	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M-2H+Na"	20.974666
"853711"	805.471966	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-2H+Na"	20.974666
"1623612"	805.471966	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Na-2H"	20.974666
"101234"	801.478363	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M-H+Cl"	33.962126
"538609"	1193.727013	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M-H+Cl"	33.962126
"937964"	409.229713	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-H+Cl"	33.962126
"282116"	1603.964002	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+Cl"	34.969402
"675020"	2388.461302	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+Cl"	34.969402
"1286085"	819.466702	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Cl"	34.969402
"30467"	1605.943206	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M-2H+K"	36.948606
"466384"	2390.440506	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M-2H+K"	36.948606
"838717"	821.445906	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-2H+K"	36.948606
"1563298"	821.445906	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+K-2H"	36.948606
"947903"	829.495494	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-H+HCOOH"	44.998194
"370493"	1613.992801	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+HCOOH-H"	44.998201
"353282"	1628.008451	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+Hac-H"	59.013851
"1499198"	843.511151	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Hac-H"	59.013851
"966376"	851.477451	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-H+NaCOOH"	66.980151
"114189"	819.466702	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+2Cl"	69.938804
"557028"	1211.715352	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+2Cl"	69.938804
"1024736"	427.218052	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2Cl"	69.938804
"1249783"	863.416185	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Br"	78.918885
"1312232"	865.472172	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Cl+HCOOH"	80.974872
"1323167"	887.454129	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Cl+NaCOOH"	102.956829
"912767"	897.482886	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M-H+CF3COOH"	112.985586
"1290930"	933.459564	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Cl+CF3COOH"	148.962264
"1367634"	749.484624	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H-2H2O"	-35.012676
"1383308"	767.4946	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H-H2O"	-17.0027
"286643"	1570.001876	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+H"	1.007276
"680891"	2354.499176	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+H"	1.007276
"1362711"	785.504576	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H"	1.007276
"133409"	785.504576	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+2H"	2.014552
"577345"	1177.753226	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+2H"	2.014552
"1047240"	393.255926	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2H"	2.014552
"208580"	524.005476	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+3H"	3.021828
"655795"	785.504576	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+3H"	3.021828
"1173918"	262.506376	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+3H"	3.021828
"433912"	1587.028423	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+NH4"	18.033823
"790533"	2371.525723	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+NH4"	18.033823
"1691238"	802.531123	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+NH4"	18.033823
"341703"	794.0178495	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+H+NH4"	19.041099
"735218"	1186.2664995	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+H+NH4"	19.041099
"1486849"	401.7691995	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H+NH4"	19.041099
"403341"	1591.983818	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+Na"	22.989218
"757777"	2376.481118	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+Na"	22.989218
"1606967"	807.486518	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Na"	22.989218
"317007"	796.495547	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+H+Na"	23.996494
"709429"	1188.744197	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+H+Na"	23.996494
"1462394"	404.246897	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H+Na"	23.996494
"1053455"	269.83369	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2H+Na"	25.00377
"1259387"	817.530786	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+CH3OH+H"	33.033486
"378938"	1607.957758	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+K"	38.963158
"739080"	2392.455058	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+K"	38.963158
"1541623"	823.460458	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+K"	38.963158
"304630"	804.482517	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+H+K"	39.970434
"699239"	1196.731167	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+H+K"	39.970434
"1450871"	412.233867	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H+K"	39.970434
"244944"	1611.028426	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+ACN+H"	42.033826
"1214371"	826.531126	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+ACN+H"	42.033826
"1201537"	413.769201	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+ACN+2H"	43.041102
"197689"	1613.96576	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+2Na-H"	44.97116
"633970"	2398.46306	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+2Na-H"	44.97116
"1139661"	829.46846	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2Na-H"	44.97116
"178578"	807.486518	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+2Na"	45.978436
"618867"	1199.735168	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+2Na"	45.978436
"1122738"	415.237868	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2Na"	45.978436
"1413194"	277.161004	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H+2Na"	46.985712
"1439475"	831.510046	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H+HCOOH"	47.012746
"231361"	812.51954	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+3H2O+2H"	56.04448
"1517239"	845.56209	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+IsoProp+H"	61.06479
"416927"	815.473488	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+Na+K"	61.952376
"779016"	1207.722138	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+Na+K"	61.952376
"1677899"	423.224838	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Na+K"	61.952376
"262596"	1633.010368	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+ACN+Na"	64.015768
"1236764"	848.513068	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+ACN+Na"	64.015768
"1721276"	848.536593	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+NH4+HCOOH"	64.039293
"1179342"	284.488318	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+3Na"	68.967654
"1652150"	853.491988	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Na+HCOOH"	68.994688
"160105"	1645.91364	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+2K-H"	76.91904
"601854"	2430.41094	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+2K-H"	76.91904
"1094022"	861.41634	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2K-H"	76.91904
"154119"	823.460458	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"2M+2K"	77.926316
"595867"	1215.709108	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"3M+2K"	77.926316
"1083174"	431.211808	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2K"	77.926316
"1111402"	863.430892	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2K+H"	78.933592
"1342318"	863.518507	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+DMSO+H"	79.021207
"1020894"	867.557676	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2ACN+H"	83.060376
"1536625"	868.551308	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+IsoProp+Na+H"	84.054008
"999791"	434.282476	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+2ACN+2H"	84.067652
"1598668"	869.465928	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+K+HCOOH"	84.968628
"1417776"	899.497438	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+H+CF3COOH"	115.000138
"1153533"	454.795751	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+3ACN+2H"	125.094202
"1707459"	916.523985	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+NH4+CF3COOH"	132.026685
"1635089"	921.47938	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+Na+CF3COOH"	136.98208
"1579856"	937.45332	"C20778"	"Ginsenoside Rg3"	"C42H72O13"	"784.4973"	"M+K+CF3COOH"	152.95602
"805846"	784.4973	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M"	0
"979377"	765.47891	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-H2O-H"	-19.01839
"66529"	521.990924	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M-3H"	-3.021828
"514836"	783.490024	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M-3H"	-3.021828
"889356"	260.491824	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-3H"	-3.021828
"4651"	783.490024	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M-2H"	-2.014552
"445305"	1175.738674	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M-2H"	-2.014552
"822013"	391.241374	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-2H"	-2.014552
"86379"	1567.987324	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M-H"	-1.007276
"524843"	2352.484624	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M-H"	-1.007276
"901553"	783.490024	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-H"	-1.007276
"49369"	1585.013871	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M-2H+NH4"	16.019271
"489660"	2369.511171	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M-2H+NH4"	16.019271
"865639"	800.516571	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-2H+NH4"	16.019271
"35001"	1589.969266	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M-2H+Na"	20.974666
"474926"	2374.466566	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M-2H+Na"	20.974666
"855281"	805.471966	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-2H+Na"	20.974666
"1628097"	805.471966	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Na-2H"	20.974666
"107541"	801.478363	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M-H+Cl"	33.962126
"540905"	1193.727013	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M-H+Cl"	33.962126
"935519"	409.229713	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-H+Cl"	33.962126
"275170"	1603.964002	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+Cl"	34.969402
"666499"	2388.461302	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+Cl"	34.969402
"1283277"	819.466702	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Cl"	34.969402
"29119"	1605.943206	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M-2H+K"	36.948606
"466495"	2390.440506	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M-2H+K"	36.948606
"839924"	821.445906	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-2H+K"	36.948606
"1564502"	821.445906	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+K-2H"	36.948606
"949107"	829.495494	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-H+HCOOH"	44.998194
"368414"	1613.992801	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+HCOOH-H"	44.998201
"351934"	1628.008451	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+Hac-H"	59.013851
"1501130"	843.511151	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Hac-H"	59.013851
"965390"	851.477451	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-H+NaCOOH"	66.980151
"116485"	819.466702	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+2Cl"	69.938804
"558231"	1211.715352	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+2Cl"	69.938804
"1029221"	427.218052	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2Cl"	69.938804
"1248799"	863.416185	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Br"	78.918885
"1314529"	865.472172	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Cl+HCOOH"	80.974872
"1330934"	887.454129	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Cl+NaCOOH"	102.956829
"924175"	897.482886	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M-H+CF3COOH"	112.985586
"1292502"	933.459564	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Cl+CF3COOH"	148.962264
"1368476"	749.484624	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H-2H2O"	-35.012676
"1385239"	767.4946	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H-H2O"	-17.0027
"287484"	1570.001876	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+H"	1.007276
"684282"	2354.499176	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+H"	1.007276
"1359177"	785.504576	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H"	1.007276
"132426"	785.504576	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+2H"	2.014552
"571990"	1177.753226	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+2H"	2.014552
"1044070"	393.255926	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2H"	2.014552
"210877"	524.005476	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+3H"	3.021828
"649344"	785.504576	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+3H"	3.021828
"1171844"	262.506376	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+3H"	3.021828
"431836"	1587.028423	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+NH4"	18.033823
"791736"	2371.525723	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+NH4"	18.033823
"1692440"	802.531123	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+NH4"	18.033823
"341812"	794.0178495	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+H+NH4"	19.041099
"735327"	1186.2664995	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+H+NH4"	19.041099
"1489875"	401.7691995	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H+NH4"	19.041099
"403452"	1591.983818	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+Na"	22.989218
"763354"	2376.481118	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+Na"	22.989218
"1612545"	807.486518	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Na"	22.989218
"317117"	796.495547	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+H+Na"	23.996494
"707836"	1188.744197	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+H+Na"	23.996494
"1465543"	404.246897	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H+Na"	23.996494
"1054418"	269.83369	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2H+Na"	25.00377
"1260470"	817.530786	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+CH3OH+H"	33.033486
"381235"	1607.957758	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+K"	38.963158
"739680"	2392.455058	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+K"	38.963158
"1545378"	823.460458	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+K"	38.963158
"309115"	804.482517	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+H+K"	39.970434
"702631"	1196.731167	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+H+K"	39.970434
"1457545"	412.233867	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H+K"	39.970434
"245054"	1611.028426	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+ACN+H"	42.033826
"1217763"	826.531126	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+ACN+H"	42.033826
"1200554"	413.769201	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+ACN+2H"	43.041102
"196706"	1613.96576	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+2Na-H"	44.97116
"632620"	2398.46306	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+2Na-H"	44.97116
"1138678"	829.46846	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2Na-H"	44.97116
"176500"	807.486518	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+2Na"	45.978436
"618248"	1199.735168	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+2Na"	45.978436
"1122483"	415.237868	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2Na"	45.978436
"1410749"	277.161004	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H+2Na"	46.985712
"1439585"	831.510046	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H+HCOOH"	47.012746
"233296"	812.51954	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+3H2O+2H"	56.04448
"1522817"	845.56209	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+IsoProp+H"	61.06479
"420318"	815.473488	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+Na+K"	61.952376
"783504"	1207.722138	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+Na+K"	61.952376
"1678741"	423.224838	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Na+K"	61.952376
"260885"	1633.010368	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+ACN+Na"	64.015768
"1234689"	848.513068	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+ACN+Na"	64.015768
"1715194"	848.536593	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+NH4+HCOOH"	64.039293
"1183462"	284.488318	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+3Na"	68.967654
"1654447"	853.491988	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Na+HCOOH"	68.994688
"161674"	1645.91364	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+2K-H"	76.91904
"605243"	2430.41094	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+2K-H"	76.91904
"1090851"	861.41634	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2K-H"	76.91904
"154229"	823.460458	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"2M+2K"	77.926316
"596344"	1215.709108	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"3M+2K"	77.926316
"1078303"	431.211808	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2K"	77.926316
"1113579"	863.430892	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2K+H"	78.933592
"1350867"	863.518507	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+DMSO+H"	79.021207
"1020561"	867.557676	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2ACN+H"	83.060376
"1537710"	868.551308	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+IsoProp+Na+H"	84.054008
"1005376"	434.282476	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+2ACN+2H"	84.067652
"1597686"	869.465928	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+K+HCOOH"	84.968628
"1418979"	899.497438	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+H+CF3COOH"	115.000138
"1148173"	454.795751	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+3ACN+2H"	125.094202
"1698820"	916.523985	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+NH4+CF3COOH"	132.026685
"1635561"	921.47938	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+Na+CF3COOH"	136.98208
"1579966"	937.45332	"C20779"	"Ginsenoside F2"	"C42H72O13"	"784.4973"	"M+K+CF3COOH"	152.95602
"803770"	638.4394	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M"	0
"982768"	619.42101	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-H2O-H"	-19.01839
"65545"	424.618990666667	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M-3H"	-3.021828
"514946"	637.432124	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M-3H"	-3.021828
"889467"	211.805857333333	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-3H"	-3.021828
"5855"	637.432124	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M-2H"	-2.014552
"445416"	956.651824	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M-2H"	-2.014552
"819937"	318.212424	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-2H"	-2.014552
"87582"	1275.871524	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M-H"	-1.007276
"521674"	1914.310924	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M-H"	-1.007276
"900570"	637.432124	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-H"	-1.007276
"49115"	1292.898071	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M-2H+NH4"	16.019271
"490133"	1931.337471	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M-2H+NH4"	16.019271
"864775"	654.458671	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-2H+NH4"	16.019271
"36204"	1297.853466	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M-2H+Na"	20.974666
"477588"	1936.292866	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M-2H+Na"	20.974666
"856484"	659.414066	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-2H+Na"	20.974666
"1627114"	659.414066	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Na-2H"	20.974666
"106557"	655.420463	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M-H+Cl"	33.962126
"549564"	974.640163	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M-H+Cl"	33.962126
"930158"	336.200763	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-H+Cl"	33.962126
"269446"	1311.848202	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+Cl"	34.969402
"663689"	1950.287602	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+Cl"	34.969402
"1276824"	673.408802	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Cl"	34.969402
"23760"	1313.827406	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M-2H+K"	36.948606
"463321"	1952.266806	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M-2H+K"	36.948606
"840029"	675.388006	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-2H+K"	36.948606
"1562427"	675.388006	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+K-2H"	36.948606
"949214"	683.437594	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-H+HCOOH"	44.998194
"366700"	1321.877001	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+HCOOH-H"	44.998201
"350583"	1335.892651	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+Hac-H"	59.013851
"1497226"	697.453251	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Hac-H"	59.013851
"961122"	705.419551	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-H+NaCOOH"	66.980151
"117688"	673.408802	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+2Cl"	69.938804
"552872"	992.628502	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+2Cl"	69.938804
"1024224"	354.189102	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2Cl"	69.938804
"1246720"	717.358285	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Br"	78.918885
"1315732"	719.414272	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Cl+HCOOH"	80.974872
"1331408"	741.396229	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Cl+NaCOOH"	102.956829
"921005"	751.424986	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M-H+CF3COOH"	112.985586
"1290060"	787.401664	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Cl+CF3COOH"	148.962264
"1367613"	603.426724	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H-2H2O"	-35.012676
"1383894"	621.4367	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H-H2O"	-17.0027
"286136"	1277.886076	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+H"	1.007276
"685486"	1916.325476	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+H"	1.007276
"1361472"	639.446676	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H"	1.007276
"131442"	639.446676	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+2H"	2.014552
"573195"	958.666376	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+2H"	2.014552
"1044181"	320.226976	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2H"	2.014552
"208802"	426.633542666667	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+3H"	3.021828
"650547"	639.446676	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+3H"	3.021828
"1168675"	213.820409333333	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+3H"	3.021828
"428665"	1294.912623	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+NH4"	18.033823
"788930"	1933.352023	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+NH4"	18.033823
"1689270"	656.473223	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+NH4"	18.033823
"339734"	647.9599495	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+H+NH4"	19.041099
"735435"	967.1796495	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+H+NH4"	19.041099
"1490348"	328.7402495	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H+NH4"	19.041099
"401376"	1299.868018	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+Na"	22.989218
"762370"	1938.307418	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+Na"	22.989218
"1610468"	661.428618	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Na"	22.989218
"314380"	650.437647	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+H+Na"	23.996494
"707249"	969.657347	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+H+Na"	23.996494
"1462737"	331.217947	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H+Na"	23.996494
"1057805"	221.147723333333	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2H+Na"	25.00377
"1257335"	671.472886	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+CH3OH+H"	33.033486
"379156"	1315.841958	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+K"	38.963158
"739178"	1954.281358	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+K"	38.963158
"1539948"	677.402558	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+K"	38.963158
"305944"	658.424617	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+H+K"	39.970434
"700553"	977.644317	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+H+K"	39.970434
"1451094"	339.204917	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H+K"	39.970434
"241883"	1318.912626	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+ACN+H"	42.033826
"1214956"	680.473226	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+ACN+H"	42.033826
"1201757"	340.740251	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+ACN+2H"	43.041102
"199002"	1321.84996	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+2Na-H"	44.97116
"633823"	1960.28936	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+2Na-H"	44.97116
"1136235"	683.41056	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2Na-H"	44.97116
"178433"	661.428618	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+2Na"	45.978436
"619451"	980.648318	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+2Na"	45.978436
"1119313"	342.208918	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2Na"	45.978436
"1410859"	228.475037333333	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H+2Na"	46.985712
"1439693"	685.452146	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H+HCOOH"	47.012746
"232312"	666.46164	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+3H2O+2H"	56.04448
"1518553"	699.50419	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+IsoProp+H"	61.06479
"417146"	669.415588	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+Na+K"	61.952376
"781425"	988.635288	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+Na+K"	61.952376
"1678485"	350.195888	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Na+K"	61.952376
"262090"	1340.894568	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+ACN+Na"	64.015768
"1238081"	702.455168	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+ACN+Na"	64.015768
"1721501"	702.478693	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+NH4+HCOOH"	64.039293
"1187949"	235.802351333333	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+3Na"	68.967654
"1656745"	707.434088	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Na+HCOOH"	68.994688
"163608"	1353.79784	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+2K-H"	76.91904
"605356"	1992.23724	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+2K-H"	76.91904
"1095337"	715.35844	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2K-H"	76.91904
"155433"	677.402558	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"2M+2K"	77.926316
"596536"	996.622258	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"3M+2K"	77.926316
"1083518"	358.182858	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2K"	77.926316
"1115359"	717.372992	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2K+H"	78.933592
"1351214"	717.460607	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+DMSO+H"	79.021207
"1020546"	721.499776	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2ACN+H"	83.060376
"1537821"	722.493408	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+IsoProp+Na+H"	84.054008
"1005531"	361.253526	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+2ACN+2H"	84.067652
"1597796"	723.408028	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+K+HCOOH"	84.968628
"1417996"	753.439538	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+H+CF3COOH"	115.000138
"1149741"	381.766801	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+3ACN+2H"	125.094202
"1699294"	770.466085	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+NH4+CF3COOH"	132.026685
"1635671"	775.42148	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+Na+CF3COOH"	136.98208
"1580076"	791.39542	"C20780"	"Ginsenoside F1"	"C36H62O9"	"638.4394"	"M+K+CF3COOH"	152.95602
"803880"	160.0372	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M"	0
"980691"	141.01881	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-H2O-H"	-19.01839
"65656"	105.684190666667	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M-3H"	-3.021828
"512869"	159.029924	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M-3H"	-3.021828
"888483"	52.3384573333333	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-3H"	-3.021828
"4872"	159.029924	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M-2H"	-2.014552
"443339"	239.048524	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M-2H"	-2.014552
"821141"	79.011324	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-2H"	-2.014552
"84412"	319.067124	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M-H"	-1.007276
"521055"	479.104324	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M-H"	-1.007276
"901773"	159.029924	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-H"	-1.007276
"49224"	336.093671	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M-2H+NH4"	16.019271
"490606"	496.130871	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M-2H+NH4"	16.019271
"866949"	176.056471	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-2H+NH4"	16.019271
"34488"	341.049066	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M-2H+Na"	20.974666
"475146"	501.086266	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M-2H+Na"	20.974666
"853315"	181.011866	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-2H+Na"	20.974666
"1626130"	181.011866	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Na-2H"	20.974666
"105938"	177.018263	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M-H+Cl"	33.962126
"548051"	257.036863	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M-H+Cl"	33.962126
"928445"	96.999663	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-H+Cl"	33.962126
"267286"	355.043802	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+Cl"	34.969402
"664529"	515.081002	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+Cl"	34.969402
"1280215"	195.006602	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Cl"	34.969402
"27152"	357.023006	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M-2H+K"	36.948606
"464524"	517.060206	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M-2H+K"	36.948606
"841233"	196.985806	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-2H+K"	36.948606
"1564720"	196.985806	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+K-2H"	36.948606
"949324"	205.035394	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-H+HCOOH"	44.998194
"369726"	365.072601	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+HCOOH-H"	44.998201
"353608"	379.088251	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+Hac-H"	59.013851
"1498068"	219.051051	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Hac-H"	59.013851
"962327"	227.017351	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-H+NaCOOH"	66.980151
"118892"	195.006602	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+2Cl"	69.938804
"556265"	275.025202	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+2Cl"	69.938804
"1026158"	114.988002	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2Cl"	69.938804
"1247924"	238.956085	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Br"	78.918885
"1312562"	241.012072	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Cl+HCOOH"	80.974872
"1327873"	262.994029	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Cl+NaCOOH"	102.956829
"921116"	273.022786	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M-H+CF3COOH"	112.985586
"1289561"	308.999464	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Cl+CF3COOH"	148.962264
"1367722"	125.024524	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H-2H2O"	-35.012676
"1383760"	143.0345	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H-H2O"	-17.0027
"282859"	321.081676	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+H"	1.007276
"679033"	481.118876	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+H"	1.007276
"1358662"	161.044476	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H"	1.007276
"130459"	161.044476	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+2H"	2.014552
"573302"	241.063076	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+2H"	2.014552
"1044288"	81.025876	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2H"	2.014552
"210003"	107.698742666667	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+3H"	3.021828
"651750"	161.044476	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+3H"	3.021828
"1165503"	54.3530093333333	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+3H"	3.021828
"428776"	338.108223	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+NH4"	18.033823
"787583"	498.145423	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+NH4"	18.033823
"1689380"	178.071023	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+NH4"	18.033823
"334377"	169.5577495	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+H+NH4"	19.041099
"733359"	249.5763495	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+H+NH4"	19.041099
"1486084"	89.5391495	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H+NH4"	19.041099
"400393"	343.063618	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+Na"	22.989218
"761388"	503.100818	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+Na"	22.989218
"1610578"	183.026418	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Na"	22.989218
"314618"	172.035447	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+H+Na"	23.996494
"709759"	252.054047	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+H+Na"	23.996494
"1463578"	92.016847	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H+Na"	23.996494
"1053055"	61.6803233333333	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2H+Na"	25.00377
"1257094"	193.070686	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+CH3OH+H"	33.033486
"377929"	359.037558	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+K"	38.963158
"738517"	519.074758	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+K"	38.963158
"1542316"	199.000358	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+K"	38.963158
"309334"	180.022417	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+H+K"	39.970434
"699570"	260.041017	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+H+K"	39.970434
"1452298"	100.003817	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H+K"	39.970434
"241993"	362.108226	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+ACN+H"	42.033826
"1217253"	202.071026	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+ACN+H"	42.033826
"1201138"	101.539151	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+ACN+2H"	43.041102
"198018"	365.04556	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+2Na-H"	44.97116
"631382"	525.08276	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+2Na-H"	44.97116
"1135252"	205.00836	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2Na-H"	44.97116
"176356"	183.026418	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+2Na"	45.978436
"618104"	263.045018	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+2Na"	45.978436
"1119059"	103.007818	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2Na"	45.978436
"1409149"	69.0076373333333	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H+2Na"	46.985712
"1439804"	207.049946	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H+HCOOH"	47.012746
"233516"	188.05944	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+3H2O+2H"	56.04448
"1518663"	221.10199	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+IsoProp+H"	61.06479
"415069"	191.013388	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+Na+K"	61.952376
"778254"	271.031988	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+Na+K"	61.952376
"1678962"	110.994788	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Na+K"	61.952376
"261834"	384.090168	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+ACN+Na"	64.015768
"1238191"	224.052968	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+ACN+Na"	64.015768
"1725984"	224.076493	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+NH4+HCOOH"	64.039293
"1192431"	76.3349513333333	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+3Na"	68.967654
"1659043"	229.031888	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Na+HCOOH"	68.994688
"164813"	396.99344	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+2K-H"	76.91904
"608748"	557.03064	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+2K-H"	76.91904
"1094352"	236.95624	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2K-H"	76.91904
"155544"	199.000358	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"2M+2K"	77.926316
"595105"	279.018958	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"3M+2K"	77.926316
"1081804"	118.981758	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2K"	77.926316
"1112827"	238.970792	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2K+H"	78.933592
"1350918"	239.058407	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+DMSO+H"	79.021207
"1019440"	243.097576	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2ACN+H"	83.060376
"1538660"	244.091208	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+IsoProp+Na+H"	84.054008
"1005586"	122.052426	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+2ACN+2H"	84.067652
"1599729"	245.005828	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+K+HCOOH"	84.968628
"1425761"	275.037338	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+H+CF3COOH"	115.000138
"1149851"	142.565701	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+3ACN+2H"	125.094202
"1704508"	292.063885	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+NH4+CF3COOH"	132.026685
"1635053"	297.01928	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+Na+CF3COOH"	136.98208
"1580186"	312.99322	"C20781"	"24-Diketo-3-deoxy-L-fuconate;24-Diketo-3-deoxy-L-rhamnonate;24-Didehydro-3-deoxy-L-rhamnonate"	"C6H8O5"	"160.0372"	"M+K+CF3COOH"	152.95602
"801515"	120.0575	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M"	0
"978614"	101.03911	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-H2O-H"	-19.01839
"65766"	79.0310573333333	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M-3H"	-3.021828
"512979"	119.050224	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M-3H"	-3.021828
"888593"	39.0118906666667	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-3H"	-3.021828
"1702"	119.050224	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M-2H"	-2.014552
"446729"	179.078974	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M-2H"	-2.014552
"822344"	59.021474	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-2H"	-2.014552
"81605"	239.107724	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M-H"	-1.007276
"521167"	359.165224	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M-H"	-1.007276
"898602"	119.050224	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-H"	-1.007276
"50426"	256.134271	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M-2H+NH4"	16.019271
"489379"	376.191771	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M-2H+NH4"	16.019271
"865232"	136.076771	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-2H+NH4"	16.019271
"34233"	261.089666	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M-2H+Na"	20.974666
"481090"	381.147166	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M-2H+Na"	20.974666
"857799"	141.032166	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-2H+Na"	20.974666
"1626240"	141.032166	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Na-2H"	20.974666
"103862"	137.038563	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M-H+Cl"	33.962126
"544515"	197.067313	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M-H+Cl"	33.962126
"931473"	77.009813	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-H+Cl"	33.962126
"276592"	275.084402	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+Cl"	34.969402
"664639"	395.141902	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+Cl"	34.969402
"1279232"	155.026902	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Cl"	34.969402
"27261"	277.063606	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M-2H+K"	36.948606
"464636"	397.121106	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M-2H+K"	36.948606
"839156"	157.006106	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-2H+K"	36.948606
"1563739"	157.006106	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+K-2H"	36.948606
"949435"	165.055694	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-H+HCOOH"	44.998194
"366556"	285.113201	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+HCOOH-H"	44.998201
"350440"	299.128851	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+Hac-H"	59.013851
"1496357"	179.071351	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Hac-H"	59.013851
"964991"	187.037651	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-H+NaCOOH"	66.980151
"116817"	155.026902	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+2Cl"	69.938804
"552364"	215.055652	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+2Cl"	69.938804
"1027363"	94.998152	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2Cl"	69.938804
"1248034"	198.976385	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Br"	78.918885
"1308296"	201.032372	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Cl+HCOOH"	80.974872
"1325796"	223.014329	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Cl+NaCOOH"	102.956829
"918310"	233.043086	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M-H+CF3COOH"	112.985586
"1292831"	269.019764	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Cl+CF3COOH"	148.962264
"1367296"	85.044824	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H-2H2O"	-35.012676
"1383750"	103.0548	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H-H2O"	-17.0027
"286356"	241.122276	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+H"	1.007276
"679143"	361.179776	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+H"	1.007276
"1360962"	121.064776	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H"	1.007276
"133856"	121.064776	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+2H"	2.014552
"576330"	181.093526	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+2H"	2.014552
"1048409"	61.036026	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2H"	2.014552
"213395"	81.0456093333333	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+3H"	3.021828
"652956"	121.064776	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+3H"	3.021828
"1169988"	41.0264426666667	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+3H"	3.021828
"427791"	258.148823	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+NH4"	18.033823
"790973"	378.206323	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+NH4"	18.033823
"1690583"	138.091323	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+NH4"	18.033823
"339954"	129.5780495	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+H+NH4"	19.041099
"733468"	189.6067995	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+H+NH4"	19.041099
"1486198"	69.5492995	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H+NH4"	19.041099
"400503"	263.104218	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+Na"	22.989218
"764777"	383.161718	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+Na"	22.989218
"1615061"	143.046718	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Na"	22.989218
"316354"	132.055747	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+H+Na"	23.996494
"707313"	192.084497	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+H+Na"	23.996494
"1463690"	72.026997	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H+Na"	23.996494
"1053409"	48.3537566666667	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2H+Na"	25.00377
"1258249"	153.090986	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+CH3OH+H"	33.033486
"381564"	279.078158	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+K"	38.963158
"739280"	399.135658	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+K"	38.963158
"1547164"	159.020658	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+K"	38.963158
"306527"	140.042717	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+H+K"	39.970434
"701503"	200.071467	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+H+K"	39.970434
"1455688"	80.013967	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H+K"	39.970434
"244290"	282.148826	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+ACN+H"	42.033826
"1218822"	162.091326	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+ACN+H"	42.033826
"1201248"	81.549301	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+ACN+2H"	43.041102
"197035"	285.08616	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+2Na-H"	44.97116
"630763"	405.14366	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+2Na-H"	44.97116
"1134997"	165.02866	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2Na-H"	44.97116
"176466"	143.046718	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+2Na"	45.978436
"619307"	203.075468	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+2Na"	45.978436
"1120625"	83.017968	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2Na"	45.978436
"1402328"	55.6810706666667	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H+2Na"	46.985712
"1438822"	167.070246	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H+HCOOH"	47.012746
"232169"	148.07974	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+3H2O+2H"	56.04448
"1519867"	181.12229	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+IsoProp+H"	61.06479
"416275"	151.033688	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+Na+K"	61.952376
"779457"	211.062438	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+Na+K"	61.952376
"1679071"	91.004938	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Na+K"	61.952376
"259030"	304.130768	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+ACN+Na"	64.015768
"1236116"	184.073268	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+ACN+Na"	64.015768
"1725001"	184.096793	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+NH4+HCOOH"	64.039293
"1192420"	63.0083846666667	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+3Na"	68.967654
"1654050"	189.052188	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Na+HCOOH"	68.994688
"160181"	317.03404	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+2K-H"	76.91904
"601930"	437.09154	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+2K-H"	76.91904
"1093370"	196.97654	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2K-H"	76.91904
"149091"	159.020658	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"2M+2K"	77.926316
"596884"	219.049408	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"3M+2K"	77.926316
"1083741"	98.991908	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2K"	77.926316
"1114518"	198.991092	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2K+H"	78.933592
"1350292"	199.078707	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+DMSO+H"	79.021207
"1018577"	203.117876	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2ACN+H"	83.060376
"1538041"	204.111508	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+IsoProp+Na+H"	84.054008
"1005508"	102.062576	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+2ACN+2H"	84.067652
"1595828"	205.026128	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+K+HCOOH"	84.968628
"1423684"	235.057638	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+H+CF3COOH"	115.000138
"1149961"	122.575851	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+3ACN+2H"	125.094202
"1704618"	252.084185	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+NH4+CF3COOH"	132.026685
"1640268"	257.03958	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+Na+CF3COOH"	136.98208
"1580296"	273.01352	"C20782"	"(S)-2-Phenyloxirane;(S)-Styrene oxide"	"C8H8O"	"120.0575"	"M+K+CF3COOH"	152.95602
"810661"	44.0626	"C20783"	"Propane"	"C3H8"	"44.0626"	"M"	0
"984193"	25.04421	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-H2O-H"	-19.01839
"75723"	28.3677906666667	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M-3H"	-3.021828
"515283"	43.055324	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M-3H"	-3.021828
"893808"	13.6802573333333	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-3H"	-3.021828
"15503"	43.055324	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M-2H"	-2.014552
"446840"	65.086624	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M-2H"	-2.014552
"823548"	21.024024	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-2H"	-2.014552
"86819"	87.117924	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M-H"	-1.007276
"529660"	131.180524	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M-H"	-1.007276
"904182"	43.055324	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-H"	-1.007276
"51995"	104.144471	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M-2H+NH4"	16.019271
"491555"	148.207071	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M-2H+NH4"	16.019271
"869356"	60.081871	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-2H+NH4"	16.019271
"33979"	109.099866	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M-2H+Na"	20.974666
"476825"	153.162466	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M-2H+Na"	20.974666
"855722"	65.037266	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-2H+Na"	20.974666
"1630725"	65.037266	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Na-2H"	20.974666
"108956"	61.043663	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M-H+Cl"	33.962126
"543534"	83.074963	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M-H+Cl"	33.962126
"937051"	39.012363	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-H+Cl"	33.962126
"277794"	123.094602	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+Cl"	34.969402
"673496"	167.157202	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+Cl"	34.969402
"1280437"	79.032002	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Cl"	34.969402
"27373"	125.073806	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M-2H+K"	36.948606
"465841"	169.136406	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M-2H+K"	36.948606
"839268"	81.011206	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-2H+K"	36.948606
"1560936"	81.011206	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+K-2H"	36.948606
"949547"	89.060794	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-H+HCOOH"	44.998194
"368127"	133.123401	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+HCOOH-H"	44.998201
"352737"	147.139051	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+Hac-H"	59.013851
"1502663"	103.076451	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Hac-H"	59.013851
"966925"	111.042751	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-H+NaCOOH"	66.980151
"119115"	79.032002	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+2Cl"	69.938804
"556486"	101.063302	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+2Cl"	69.938804
"1034034"	57.000702	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2Cl"	69.938804
"1250331"	122.981485	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Br"	78.918885
"1311687"	125.037472	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Cl+HCOOH"	80.974872
"1329189"	147.019429	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Cl+NaCOOH"	102.956829
"922432"	157.048186	"C20783"	"Propane"	"C3H8"	"44.0626"	"M-H+CF3COOH"	112.985586
"1292943"	193.024864	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Cl+CF3COOH"	148.962264
"1371103"	9.049924	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H-2H2O"	-35.012676
"1389329"	27.0599	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H-H2O"	-17.0027
"285004"	89.132476	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+H"	1.007276
"679253"	133.195076	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+H"	1.007276
"1359979"	45.069876	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H"	1.007276
"133962"	45.069876	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+2H"	2.014552
"567326"	67.101176	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+2H"	2.014552
"1040136"	23.038576	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2H"	2.014552
"210223"	30.3823426666667	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+3H"	3.021828
"651972"	45.069876	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+3H"	3.021828
"1171190"	15.6948093333333	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+3H"	3.021828
"435555"	106.159023	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+NH4"	18.033823
"796550"	150.221623	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+NH4"	18.033823
"1689601"	62.096423	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+NH4"	18.033823
"343345"	53.5831495	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+H+NH4"	19.041099
"733580"	75.6144495	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+H+NH4"	19.041099
"1490681"	31.5518495	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H+NH4"	19.041099
"406082"	111.114418	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+Na"	22.989218
"767805"	155.177018	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+Na"	22.989218
"1612984"	67.051818	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Na"	22.989218
"317558"	56.060847	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+H+Na"	23.996494
"717272"	78.092147	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+H+Na"	23.996494
"1463070"	34.029547	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H+Na"	23.996494
"1056318"	23.0221233333333	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2H+Na"	25.00377
"1260915"	77.096086	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+CH3OH+H"	33.033486
"381679"	127.088358	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+K"	38.963158
"747048"	171.150958	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+K"	38.963158
"1550193"	83.025758	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+K"	38.963158
"309557"	64.047817	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+H+K"	39.970434
"700884"	86.079117	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+H+K"	39.970434
"1458714"	42.016517	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H+K"	39.970434
"246952"	130.159026	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+ACN+H"	42.033826
"1222212"	86.096426	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+ACN+H"	42.033826
"1203180"	43.551851	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+ACN+2H"	43.041102
"194959"	133.09636	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+2Na-H"	44.97116
"634884"	177.15896	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+2Na-H"	44.97116
"1138755"	89.03376	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2Na-H"	44.97116
"186056"	67.051818	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+2Na"	45.978436
"618690"	89.083118	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+2Na"	45.978436
"1122197"	45.020518	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2Na"	45.978436
"1402074"	30.3494373333333	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H+2Na"	46.985712
"1441851"	91.075346	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H+HCOOH"	47.012746
"232279"	72.08484	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+3H2O+2H"	56.04448
"1516698"	105.12739	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+IsoProp+H"	61.06479
"410918"	75.038788	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+Na+K"	61.952376
"777382"	97.070088	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+Na+K"	61.952376
"1677359"	53.007488	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Na+K"	61.952376
"259140"	152.140968	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+ACN+Na"	64.015768
"1229667"	108.078368	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+ACN+Na"	64.015768
"1719644"	108.101893	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+NH4+HCOOH"	64.039293
"1187185"	37.6767513333333	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+3Na"	68.967654
"1651973"	113.057288	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Na+HCOOH"	68.994688
"161748"	165.04424	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+2K-H"	76.91904
"602040"	209.10684	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+2K-H"	76.91904
"1090199"	120.98164	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2K-H"	76.91904
"148470"	83.025758	"C20783"	"Propane"	"C3H8"	"44.0626"	"2M+2K"	77.926316
"595325"	105.057058	"C20783"	"Propane"	"C3H8"	"44.0626"	"3M+2K"	77.926316
"1084129"	60.994458	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2K"	77.926316
"1114874"	122.996192	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2K+H"	78.933592
"1349794"	123.083807	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+DMSO+H"	79.021207
"1016864"	127.122976	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2ACN+H"	83.060376
"1537785"	128.116608	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+IsoProp+Na+H"	84.054008
"1004112"	64.065126	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+2ACN+2H"	84.067652
"1594844"	129.031228	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+K+HCOOH"	84.968628
"1427074"	159.062738	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+H+CF3COOH"	115.000138
"1149707"	84.578401	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+3ACN+2H"	125.094202
"1704728"	176.089285	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+NH4+CF3COOH"	132.026685
"1640378"	181.04468	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+Na+CF3COOH"	136.98208
"1573845"	197.01862	"C20783"	"Propane"	"C3H8"	"44.0626"	"M+K+CF3COOH"	152.95602
"804210"	596.0492	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M"	0
"976647"	577.03081	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-H2O-H"	-19.01839
"78511"	396.358857333333	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M-3H"	-3.021828
"518459"	595.041924	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M-3H"	-3.021828
"884440"	197.675790666667	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-3H"	-3.021828
"7388"	595.041924	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M-2H"	-2.014552
"444034"	893.066524	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M-2H"	-2.014552
"821472"	297.017324	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-2H"	-2.014552
"80733"	1191.091124	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M-H"	-1.007276
"524304"	1787.140324	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M-H"	-1.007276
"897731"	595.041924	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-H"	-1.007276
"48461"	1208.117671	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M-2H+NH4"	16.019271
"488747"	1804.166871	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M-2H+NH4"	16.019271
"865940"	612.068471	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-2H+NH4"	16.019271
"33361"	1213.073066	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M-2H+Na"	20.974666
"478028"	1809.122266	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M-2H+Na"	20.974666
"856925"	617.023866	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-2H+Na"	20.974666
"1631928"	617.023866	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Na-2H"	20.974666
"109757"	613.030263	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M-H+Cl"	33.962126
"543644"	911.054863	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M-H+Cl"	33.962126
"939348"	315.005663	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-H+Cl"	33.962126
"281184"	1227.067802	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+Cl"	34.969402
"672513"	1823.117002	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+Cl"	34.969402
"1286014"	631.018602	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Cl"	34.969402
"27483"	1229.047006	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M-2H+K"	36.948606
"465950"	1825.096206	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M-2H+K"	36.948606
"840471"	632.997806	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-2H+K"	36.948606
"1562867"	632.997806	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+K-2H"	36.948606
"951844"	641.047394	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-H+HCOOH"	44.998194
"372245"	1237.096601	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+HCOOH-H"	44.998201
"352847"	1251.112251	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+Hac-H"	59.013851
"1498399"	655.063051	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Hac-H"	59.013851
"968127"	663.029351	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-H+NaCOOH"	66.980151
"119225"	631.018602	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+2Cl"	69.938804
"556596"	929.043202	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+2Cl"	69.938804
"1031958"	332.994002	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2Cl"	69.938804
"1249348"	674.968085	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Br"	78.918885
"1313984"	677.024072	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Cl+HCOOH"	80.974872
"1330386"	699.006029	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Cl+NaCOOH"	102.956829
"920356"	709.034786	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M-H+CF3COOH"	112.985586
"1291230"	745.011464	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Cl+CF3COOH"	148.962264
"1369755"	561.036524	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H-2H2O"	-35.012676
"1385429"	579.0465	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H-H2O"	-17.0027
"282895"	1193.105676	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+H"	1.007276
"677296"	1789.154876	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+H"	1.007276
"1356808"	597.056476	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H"	1.007276
"127267"	597.056476	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+2H"	2.014552
"566581"	895.081076	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+2H"	2.014552
"1038053"	299.031876	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2H"	2.014552
"206320"	398.373409333333	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+3H"	3.021828
"645642"	597.056476	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+3H"	3.021828
"1171300"	199.690342666667	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+3H"	3.021828
"432385"	1210.132223	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+NH4"	18.033823
"793380"	1806.181423	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+NH4"	18.033823
"1687524"	614.083023	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+NH4"	18.033823
"343455"	605.5697495	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+H+NH4"	19.041099
"732598"	903.5943495	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+H+NH4"	19.041099
"1487511"	307.5451495	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H+NH4"	19.041099
"400724"	1215.087618	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+Na"	22.989218
"763906"	1811.136818	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+Na"	22.989218
"1612003"	619.038418	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Na"	22.989218
"316574"	608.047447	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+H+Na"	23.996494
"717746"	906.072047	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+H+Na"	23.996494
"1462206"	310.022847	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H+Na"	23.996494
"1056064"	207.017656666667	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2H+Na"	25.00377
"1259200"	629.082686	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+CH3OH+H"	33.033486
"379602"	1231.061558	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+K"	38.963158
"747158"	1827.110758	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+K"	38.963158
"1545930"	635.012358	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+K"	38.963158
"304199"	616.034417	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+H+K"	39.970434
"700994"	914.059017	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+H+K"	39.970434
"1454816"	318.009817	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H+K"	39.970434
"244510"	1234.132226	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+ACN+H"	42.033826
"1218313"	638.083026	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+ACN+H"	42.033826
"1200374"	319.545151	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+ACN+2H"	43.041102
"191788"	1237.06956	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+2Na-H"	44.97116
"633171"	1833.11876	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+2Na-H"	44.97116
"1135948"	641.02036	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2Na-H"	44.97116
"180698"	619.038418	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+2Na"	45.978436
"620987"	917.063018	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+2Na"	45.978436
"1117323"	321.013818	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2Na"	45.978436
"1401457"	214.344970666667	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H+2Na"	46.985712
"1441594"	643.061946	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H+HCOOH"	47.012746
"229837"	624.07144	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+3H2O+2H"	56.04448
"1517901"	657.11399	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+IsoProp+H"	61.06479
"411025"	627.025388	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+Na+K"	61.952376
"774209"	925.049988	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+Na+K"	61.952376
"1675645"	329.000788	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Na+K"	61.952376
"260340"	1256.114168	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+ACN+Na"	64.015768
"1230139"	660.064968	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+ACN+Na"	64.015768
"1719753"	660.088493	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+NH4+HCOOH"	64.039293
"1187295"	221.672284666667	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+3Na"	68.967654
"1650863"	665.043888	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Na+HCOOH"	68.994688
"158334"	1269.01744	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+2K-H"	76.91904
"601055"	1865.06664	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+2K-H"	76.91904
"1088850"	672.96824	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2K-H"	76.91904
"145664"	635.012358	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"2M+2K"	77.926316
"589964"	933.036958	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"3M+2K"	77.926316
"1081041"	336.987758	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2K"	77.926316
"1112062"	674.982792	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2K+H"	78.933592
"1346258"	675.070407	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+DMSO+H"	79.021207
"1015516"	679.109576	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2ACN+H"	83.060376
"1536193"	680.103208	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+IsoProp+Na+H"	84.054008
"1003370"	340.058426	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+2ACN+2H"	84.067652
"1592768"	681.017828	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+K+HCOOH"	84.968628
"1420624"	711.049338	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+H+CF3COOH"	115.000138
"1149816"	360.571701	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+3ACN+2H"	125.094202
"1701558"	728.075885	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+NH4+CF3COOH"	132.026685
"1637208"	733.03128	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+Na+CF3COOH"	136.98208
"1575048"	749.00522	"C20784"	"ADP-5-ethyl-4-methylthiazole-2-carboxylate;Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid"	"C17H22N6O12P2S"	"596.0492"	"M+K+CF3COOH"	152.95602
"802133"	576.439	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M"	0
"976757"	557.42061	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-H2O-H"	-19.01839
"77761"	383.285390666667	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M-3H"	-3.021828
"517324"	575.431724	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M-3H"	-3.021828
"885643"	191.139057333333	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-3H"	-3.021828
"7498"	575.431724	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M-2H"	-2.014552
"444873"	863.651224	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M-2H"	-2.014552
"822675"	287.212224	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-2H"	-2.014552
"80479"	1151.870724	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M-H"	-1.007276
"521498"	1728.309724	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M-H"	-1.007276
"898205"	575.431724	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-H"	-1.007276
"48934"	1168.897271	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M-2H+NH4"	16.019271
"488127"	1745.336271	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M-2H+NH4"	16.019271
"864956"	592.458271	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-2H+NH4"	16.019271
"33835"	1173.852666	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M-2H+Na"	20.974666
"479232"	1750.291666	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M-2H+Na"	20.974666
"854119"	597.413666	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-2H+Na"	20.974666
"1631674"	597.413666	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Na-2H"	20.974666
"109869"	593.420063	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M-H+Cl"	33.962126
"544847"	881.639563	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M-H+Cl"	33.962126
"939458"	305.200563	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-H+Cl"	33.962126
"281294"	1187.847402	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+Cl"	34.969402
"672623"	1764.286402	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+Cl"	34.969402
"1285396"	611.408402	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Cl"	34.969402
"27593"	1189.826606	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M-2H+K"	36.948606
"466060"	1766.265606	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M-2H+K"	36.948606
"840581"	613.387606	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-2H+K"	36.948606
"1566257"	613.387606	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+K-2H"	36.948606
"953047"	621.437194	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-H+HCOOH"	44.998194
"372355"	1197.876201	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+HCOOH-H"	44.998201
"355143"	1211.891851	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+Hac-H"	59.013851
"1499602"	635.452851	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Hac-H"	59.013851
"970424"	643.419151	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-H+NaCOOH"	66.980151
"120429"	611.408402	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+2Cl"	69.938804
"557799"	899.627902	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+2Cl"	69.938804
"1032069"	323.188902	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2Cl"	69.938804
"1250551"	655.357885	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Br"	78.918885
"1314094"	657.413872	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Cl+HCOOH"	80.974872
"1329403"	679.395829	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Cl+NaCOOH"	102.956829
"921559"	689.424586	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M-H+CF3COOH"	112.985586
"1288619"	725.401264	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Cl+CF3COOH"	148.962264
"1370960"	541.426324	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H-2H2O"	-35.012676
"1388455"	559.4363	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H-H2O"	-17.0027
"284495"	1153.885276	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+H"	1.007276
"676554"	1730.324276	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+H"	1.007276
"1356918"	577.446276	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H"	1.007276
"127984"	577.446276	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+2H"	2.014552
"567179"	865.665776	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+2H"	2.014552
"1038168"	289.226776	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2H"	2.014552
"205462"	385.299942666667	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+3H"	3.021828
"644902"	577.446276	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+3H"	3.021828
"1171410"	193.153609333333	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+3H"	3.021828
"436869"	1170.911823	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+NH4"	18.033823
"795679"	1747.350823	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+NH4"	18.033823
"1689820"	594.472823	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+NH4"	18.033823
"340285"	585.9595495	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+H+NH4"	19.041099
"731614"	874.1790495	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+H+NH4"	19.041099
"1487622"	297.7400495	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H+NH4"	19.041099
"403022"	1175.867218	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+Na"	22.989218
"762923"	1752.306218	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+Na"	22.989218
"1612113"	599.428218	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Na"	22.989218
"317780"	588.437247	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+H+Na"	23.996494
"715670"	876.656747	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+H+Na"	23.996494
"1465117"	300.217747	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H+Na"	23.996494
"1053500"	200.480923333333	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2H+Na"	25.00377
"1262228"	609.472486	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+CH3OH+H"	33.033486
"384086"	1191.841158	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+K"	38.963158
"748363"	1768.280158	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+K"	38.963158
"1544946"	615.402158	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+K"	38.963158
"305402"	596.424217	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+H+K"	39.970434
"702198"	884.643717	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+H+K"	39.970434
"1453833"	308.204717	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H+K"	39.970434
"246444"	1194.911826	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+ACN+H"	42.033826
"1218422"	618.472826	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+ACN+H"	42.033826
"1203397"	309.740051	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+ACN+2H"	43.041102
"195177"	1197.84916	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+2Na-H"	44.97116
"635834"	1774.28816	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+2Na-H"	44.97116
"1138246"	621.41016	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2Na-H"	44.97116
"180444"	599.428218	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+2Na"	45.978436
"617817"	887.647718	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+2Na"	45.978436
"1117675"	311.208718	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2Na"	45.978436
"1401931"	207.808237333333	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H+2Na"	46.985712
"1436963"	623.451746	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H+HCOOH"	47.012746
"229942"	604.46124	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+3H2O+2H"	56.04448
"1518739"	637.50379	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+IsoProp+H"	61.06479
"415510"	607.415188	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+Na+K"	61.952376
"777599"	895.634688	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+Na+K"	61.952376
"1673932"	319.195688	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Na+K"	61.952376
"259359"	1216.893768	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+ACN+Na"	64.015768
"1235713"	640.454768	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+ACN+Na"	64.015768
"1722048"	640.478293	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+NH4+HCOOH"	64.039293
"1189226"	215.135551333333	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+3Na"	68.967654
"1650285"	645.433688	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Na+HCOOH"	68.994688
"159419"	1229.79704	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+2K-H"	76.91904
"601896"	1806.23604	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+2K-H"	76.91904
"1089327"	653.35804	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2K-H"	76.91904
"146504"	615.402158	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"2M+2K"	77.926316
"592263"	903.621658	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"3M+2K"	77.926316
"1082243"	327.182658	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2K"	77.926316
"1112171"	655.372592	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2K+H"	78.933592
"1348555"	655.460207	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+DMSO+H"	79.021207
"1015990"	659.499376	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2ACN+H"	83.060376
"1534116"	660.493008	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+IsoProp+Na+H"	84.054008
"1001655"	330.253326	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+2ACN+2H"	84.067652
"1589600"	661.407628	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+K+HCOOH"	84.968628
"1419641"	691.439138	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+H+CF3COOH"	115.000138
"1147739"	350.766601	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+3ACN+2H"	125.094202
"1701668"	708.465685	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+NH4+CF3COOH"	132.026685
"1637318"	713.42108	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+Na+CF3COOH"	136.98208
"1575158"	729.39502	"C20785"	"Eleutheroside A;Sitogluside;beta-Sitosterol D-glucoside"	"C35H60O6"	"576.439"	"M+K+CF3COOH"	152.95602
"803336"	742.2684	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M"	0
"981242"	723.25001	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-H2O-H"	-19.01839
"78038"	493.838324	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M-3H"	-3.021828
"516705"	741.261124	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M-3H"	-3.021828
"894627"	246.415524	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-3H"	-3.021828
"8702"	741.261124	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M-2H"	-2.014552
"451544"	1112.395324	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M-2H"	-2.014552
"826065"	370.126924	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-2H"	-2.014552
"82777"	1483.529524	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M-H"	-1.007276
"522338"	2225.797924	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M-H"	-1.007276
"899043"	741.261124	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-H"	-1.007276
"47950"	1500.556071	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M-2H+NH4"	16.019271
"490062"	2242.824471	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M-2H+NH4"	16.019271
"867865"	758.287671	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-2H+NH4"	16.019271
"35040"	1505.511466	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M-2H+Na"	20.974666
"478246"	2247.779866	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M-2H+Na"	20.974666
"849480"	763.243066	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-2H+Na"	20.974666
"1622306"	763.243066	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Na-2H"	20.974666
"99928"	759.249463	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M-H+Cl"	33.962126
"537303"	1130.383663	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M-H+Cl"	33.962126
"934102"	388.115263	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-H+Cl"	33.962126
"271565"	1519.506202	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+Cl"	34.969402
"666172"	2261.774602	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+Cl"	34.969402
"1285141"	777.237802	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Cl"	34.969402
"27703"	1521.485406	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M-2H+K"	36.948606
"467263"	2263.753806	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M-2H+K"	36.948606
"840692"	779.217006	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-2H+K"	36.948606
"1559806"	779.217006	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+K-2H"	36.948606
"949877"	787.266594	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-H+HCOOH"	44.998194
"370279"	1529.535001	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+HCOOH-H"	44.998201
"356347"	1543.550651	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+Hac-H"	59.013851
"1502993"	801.282251	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Hac-H"	59.013851
"966161"	809.248551	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-H+NaCOOH"	66.980151
"122724"	777.237802	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+2Cl"	69.938804
"557909"	1148.372002	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+2Cl"	69.938804
"1034365"	406.103602	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2Cl"	69.938804
"1251758"	821.187285	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Br"	78.918885
"1315301"	823.243272	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Cl+HCOOH"	80.974872
"1329519"	845.225229	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Cl+NaCOOH"	102.956829
"917296"	855.253986	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M-H+CF3COOH"	112.985586
"1290719"	891.230664	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Cl+CF3COOH"	148.962264
"1370341"	707.255724	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H-2H2O"	-35.012676
"1388566"	725.2657	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H-H2O"	-17.0027
"284605"	1485.544076	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+H"	1.007276
"677398"	2227.812476	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+H"	1.007276
"1353381"	743.275676	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H"	1.007276
"128824"	743.275676	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+2H"	2.014552
"566685"	1114.409876	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+2H"	2.014552
"1037303"	372.141476	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2H"	2.014552
"204719"	495.852876	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+3H"	3.021828
"649021"	743.275676	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+3H"	3.021828
"1164959"	248.430076	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+3H"	3.021828
"430419"	1502.570623	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+NH4"	18.033823
"794694"	2244.839023	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+NH4"	18.033823
"1686649"	760.302223	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+NH4"	18.033823
"336023"	751.7889495	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+H+NH4"	19.041099
"726621"	1122.9231495	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+H+NH4"	19.041099
"1481170"	380.6547495	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H+NH4"	19.041099
"400944"	1507.526018	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+Na"	22.989218
"763030"	2249.794418	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+Na"	22.989218
"1608943"	765.257618	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Na"	22.989218
"321166"	754.266647	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+H+Na"	23.996494
"713587"	1125.400847	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+H+Na"	23.996494
"1469596"	383.132447	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H+Na"	23.996494
"1057376"	255.75739	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2H+Na"	25.00377
"1264523"	775.301886	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+CH3OH+H"	33.033486
"380911"	1523.499958	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+K"	38.963158
"741180"	2265.768358	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+K"	38.963158
"1547243"	781.231558	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+K"	38.963158
"304419"	762.253617	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+H+K"	39.970434
"696841"	1133.387817	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+H+K"	39.970434
"1453942"	391.119417	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H+K"	39.970434
"246190"	1526.570626	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+ACN+H"	42.033826
"1220718"	784.302226	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+ACN+H"	42.033826
"1200227"	392.654751	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+ACN+2H"	43.041102
"194559"	1529.50796	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+2Na-H"	44.97116
"634851"	2271.77636	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+2Na-H"	44.97116
"1134710"	787.23956	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2Na-H"	44.97116
"176543"	765.257618	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+2Na"	45.978436
"614036"	1136.391818	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+2Na"	45.978436
"1117178"	394.123418	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2Na"	45.978436
"1401677"	263.084704	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H+2Na"	46.985712
"1437073"	789.281146	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H+HCOOH"	47.012746
"230052"	770.29064	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+3H2O+2H"	56.04448
"1519943"	803.33319	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+IsoProp+H"	61.06479
"416714"	773.244588	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+Na+K"	61.952376
"778805"	1144.378788	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+Na+K"	61.952376
"1676230"	402.110388	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Na+K"	61.952376
"259468"	1548.552568	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+ACN+Na"	64.015768
"1236551"	806.284168	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+ACN+Na"	64.015768
"1722158"	806.307693	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+NH4+HCOOH"	64.039293
"1191522"	270.412018	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+3Na"	68.967654
"1650045"	811.263088	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Na+HCOOH"	68.994688
"166455"	1561.45584	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+2K-H"	76.91904
"600915"	2303.72424	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+2K-H"	76.91904
"1091623"	819.18744	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2K-H"	76.91904
"150627"	781.231558	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"2M+2K"	77.926316
"590186"	1152.365758	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"3M+2K"	77.926316
"1081989"	410.097358	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2K"	77.926316
"1112280"	821.201992	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2K+H"	78.933592
"1348666"	821.289607	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+DMSO+H"	79.021207
"1017193"	825.328776	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2ACN+H"	83.060376
"1535318"	826.322408	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+IsoProp+Na+H"	84.054008
"1001765"	413.168026	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+2ACN+2H"	84.067652
"1591896"	827.237028	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+K+HCOOH"	84.968628
"1418657"	857.268538	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+H+CF3COOH"	115.000138
"1148942"	433.681301	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+3ACN+2H"	125.094202
"1700684"	874.295085	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+NH4+CF3COOH"	132.026685
"1637428"	879.25048	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+Na+CF3COOH"	136.98208
"1574175"	895.22442	"C20786"	"Eleutheroside E"	"C34H46O18"	"742.2684"	"M+K+CF3COOH"	152.95602
"802353"	560.3349	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M"	0
"981352"	541.31651	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-H2O-H"	-19.01839
"77620"	372.549324	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M-3H"	-3.021828
"517787"	559.327624	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M-3H"	-3.021828
"891331"	185.771024	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-3H"	-3.021828
"7719"	559.327624	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M-2H"	-2.014552
"450560"	839.495074	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M-2H"	-2.014552
"828362"	279.160174	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-2H"	-2.014552
"82887"	1119.662524	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M-H"	-1.007276
"525728"	1679.997424	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M-H"	-1.007276
"899155"	559.327624	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-H"	-1.007276
"49518"	1136.689071	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M-2H+NH4"	16.019271
"490901"	1697.023971	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M-2H+NH4"	16.019271
"867246"	576.354171	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-2H+NH4"	16.019271
"35878"	1141.644466	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M-2H+Na"	20.974666
"478356"	1701.979366	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M-2H+Na"	20.974666
"849959"	581.309566	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-2H+Na"	20.974666
"1620229"	581.309566	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Na-2H"	20.974666
"100038"	577.315963	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M-H+Cl"	33.962126
"537413"	857.483413	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M-H+Cl"	33.962126
"934212"	297.148513	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-H+Cl"	33.962126
"271675"	1155.639202	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+Cl"	34.969402
"666282"	1715.974102	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+Cl"	34.969402
"1285251"	595.304302	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Cl"	34.969402
"26357"	1157.618406	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M-2H+K"	36.948606
"467009"	1717.953306	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M-2H+K"	36.948606
"842988"	597.283506	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-2H+K"	36.948606
"1562103"	597.283506	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+K-2H"	36.948606
"951081"	605.333094	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-H+HCOOH"	44.998194
"370389"	1165.668001	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+HCOOH-H"	44.998201
"354272"	1179.683651	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+Hac-H"	59.013851
"1503104"	619.348751	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Hac-H"	59.013851
"967365"	627.315051	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-H+NaCOOH"	66.980151
"121741"	595.304302	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+2Cl"	69.938804
"559112"	875.471752	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+2Cl"	69.938804
"1034476"	315.136852	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2Cl"	69.938804
"1250776"	639.253785	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Br"	78.918885
"1314317"	641.309772	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Cl+HCOOH"	80.974872
"1329628"	663.291729	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Cl+NaCOOH"	102.956829
"917769"	673.320486	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M-H+CF3COOH"	112.985586
"1288681"	709.297164	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Cl+CF3COOH"	148.962264
"1368993"	525.322224	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H-2H2O"	-35.012676
"1388675"	543.3322	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H-H2O"	-17.0027
"284354"	1121.677076	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+H"	1.007276
"677508"	1682.011976	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+H"	1.007276
"1353127"	561.342176	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H"	1.007276
"131121"	561.342176	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+2H"	2.014552
"568497"	841.509626	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+2H"	2.014552
"1038141"	281.174726	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2H"	2.014552
"206412"	374.563876	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+3H"	3.021828
"649131"	561.342176	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+3H"	3.021828
"1165069"	187.785576	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+3H"	3.021828
"429436"	1138.703623	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+NH4"	18.033823
"792619"	1699.038523	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+NH4"	18.033823
"1686759"	578.368723	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+NH4"	18.033823
"333946"	569.8554495	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+H+NH4"	19.041099
"727824"	850.0228995	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+H+NH4"	19.041099
"1482008"	289.6879995	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H+NH4"	19.041099
"399961"	1143.659018	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+Na"	22.989218
"766056"	1703.993918	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+Na"	22.989218
"1611240"	583.324118	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Na"	22.989218
"324559"	572.333147	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+H+Na"	23.996494
"718070"	852.500597	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+H+Na"	23.996494
"1469706"	292.165697	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H+Na"	23.996494
"1056391"	195.11289	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2H+Na"	25.00377
"1262447"	593.368386	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+CH3OH+H"	33.033486
"379927"	1159.632958	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+K"	38.963158
"741651"	1719.967858	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+K"	38.963158
"1548443"	599.298058	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+K"	38.963158
"304527"	580.320117	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+H+K"	39.970434
"692940"	860.487567	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+H+K"	39.970434
"1454782"	300.152667	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H+K"	39.970434
"243747"	1162.703626	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+ACN+H"	42.033826
"1218641"	602.368726	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+ACN+H"	42.033826
"1198148"	301.688001	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+ACN+2H"	43.041102
"192480"	1165.64096	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+2Na-H"	44.97116
"632044"	1725.97586	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+2Na-H"	44.97116
"1135914"	605.30606	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2Na-H"	44.97116
"176290"	583.324118	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+2Na"	45.978436
"614024"	863.491568	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+2Na"	45.978436
"1117652"	303.156668	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2Na"	45.978436
"1400692"	202.440204	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H+2Na"	46.985712
"1433534"	607.347646	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H+HCOOH"	47.012746
"222506"	588.35714	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+3H2O+2H"	56.04448
"1518230"	621.39969	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+IsoProp+H"	61.06479
"417918"	591.311088	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+Na+K"	61.952376
"776726"	871.478538	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+Na+K"	61.952376
"1676339"	311.143638	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Na+K"	61.952376
"257391"	1184.685568	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+ACN+Na"	64.015768
"1237754"	624.350668	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+ACN+Na"	64.015768
"1723361"	624.374193	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+NH4+HCOOH"	64.039293
"1191632"	209.767518	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+3Na"	68.967654
"1658608"	629.329588	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Na+HCOOH"	68.994688
"164380"	1197.58884	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+2K-H"	76.91904
"608315"	1757.92374	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+2K-H"	76.91904
"1092825"	637.25394	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2K-H"	76.91904
"152921"	599.298058	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"2M+2K"	77.926316
"592482"	879.465508	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"3M+2K"	77.926316
"1080275"	319.130608	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2K"	77.926316
"1112389"	639.268492	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2K+H"	78.933592
"1346587"	639.356107	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+DMSO+H"	79.021207
"1012930"	643.395276	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2ACN+H"	83.060376
"1533240"	644.388908	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+IsoProp+Na+H"	84.054008
"998594"	322.201276	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+2ACN+2H"	84.067652
"1590913"	645.303528	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+K+HCOOH"	84.968628
"1419860"	675.335038	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+H+CF3COOH"	115.000138
"1149052"	342.714551	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+3ACN+2H"	125.094202
"1701887"	692.361585	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+NH4+CF3COOH"	132.026685
"1637538"	697.31698	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+Na+CF3COOH"	136.98208
"1574285"	713.29092	"C20787"	"2324-Dihydrocucurbitacin B"	"C32H48O8"	"560.3349"	"M+K+CF3COOH"	152.95602
"807930"	268.0551	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M"	0
"983649"	249.03671	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-H2O-H"	-19.01839
"77606"	177.696124	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M-3H"	-3.021828
"518304"	267.047824	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M-3H"	-3.021828
"893628"	88.344424	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-3H"	-3.021828
"10016"	267.047824	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M-2H"	-2.014552
"449577"	401.075374	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M-2H"	-2.014552
"828472"	133.020274	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-2H"	-2.014552
"91744"	535.102924	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M-H"	-1.007276
"529118"	803.158024	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M-H"	-1.007276
"905826"	267.047824	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-H"	-1.007276
"52546"	552.129471	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M-2H+NH4"	16.019271
"490648"	820.184571	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M-2H+NH4"	16.019271
"869180"	284.074371	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-2H+NH4"	16.019271
"35988"	557.084866	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M-2H+Na"	20.974666
"480653"	825.139966	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M-2H+Na"	20.974666
"851162"	289.029766	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-2H+Na"	20.974666
"1624713"	289.029766	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Na-2H"	20.974666
"100148"	285.036163	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M-H+Cl"	33.962126
"538616"	419.063713	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M-H+Cl"	33.962126
"937602"	151.008613	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-H+Cl"	33.962126
"275065"	571.079602	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+Cl"	34.969402
"666392"	839.134702	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+Cl"	34.969402
"1286820"	303.024502	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Cl"	34.969402
"25011"	573.058806	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M-2H+K"	36.948606
"466392"	841.113906	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M-2H+K"	36.948606
"842007"	305.003706	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-2H+K"	36.948606
"1563306"	305.003706	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+K-2H"	36.948606
"949003"	313.053294	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-H+HCOOH"	44.998194
"369403"	581.108401	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+HCOOH-H"	44.998201
"355475"	595.124051	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+Hac-H"	59.013851
"1502121"	327.068951	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Hac-H"	59.013851
"966382"	335.035251	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-H+NaCOOH"	66.980151
"121851"	303.024502	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+2Cl"	69.938804
"557036"	437.052052	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+2Cl"	69.938804
"1032398"	168.996952	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2Cl"	69.938804
"1251978"	346.973985	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Br"	78.918885
"1315520"	349.029972	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Cl+HCOOH"	80.974872
"1330833"	371.011929	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Cl+NaCOOH"	102.956829
"920796"	381.040686	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M-H+CF3COOH"	112.985586
"1297502"	417.017364	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Cl+CF3COOH"	148.962264
"1374570"	233.042424	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H-2H2O"	-35.012676
"1385505"	251.0524	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H-H2O"	-17.0027
"286651"	537.117476	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+H"	1.007276
"679075"	805.172576	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+H"	1.007276
"1355060"	269.062376	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H"	1.007276
"131231"	269.062376	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+2H"	2.014552
"570794"	403.089926	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+2H"	2.014552
"1039593"	135.034826	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2H"	2.014552
"212963"	179.710676	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+3H"	3.021828
"654709"	269.062376	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+3H"	3.021828
"1171741"	90.358976	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+3H"	3.021828
"431735"	554.144023	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+NH4"	18.033823
"796011"	822.199123	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+NH4"	18.033823
"1691244"	286.088923	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+NH4"	18.033823
"338432"	277.5756495	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+H+NH4"	19.041099
"730851"	411.6031995	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+H+NH4"	19.041099
"1484671"	143.5480995	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H+NH4"	19.041099
"403351"	559.099418	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+Na"	22.989218
"767262"	827.154518	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+Na"	22.989218
"1613538"	291.044318	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Na"	22.989218
"324668"	280.053347	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+H+Na"	23.996494
"713809"	414.080897	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+H+Na"	23.996494
"1467630"	146.025797	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H+Na"	23.996494
"1057596"	97.68629	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2H+Na"	25.00377
"1269118"	301.088586	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+CH3OH+H"	33.033486
"380404"	575.073358	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+K"	38.963158
"744315"	843.128458	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+K"	38.963158
"1550741"	307.018258	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+K"	38.963158
"305731"	288.040317	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+H+K"	39.970434
"697061"	422.067867	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+H+K"	39.970434
"1455256"	154.012767	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H+K"	39.970434
"246044"	578.144026	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+ACN+H"	42.033826
"1219845"	310.088926	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+ACN+H"	42.033826
"1199354"	155.548101	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+ACN+2H"	43.041102
"193320"	581.08136	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+2Na-H"	44.97116
"628911"	849.13646	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+2Na-H"	44.97116
"1132741"	313.02626	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2Na-H"	44.97116
"175666"	291.044318	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+2Na"	45.978436
"617047"	425.071868	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+2Na"	45.978436
"1119095"	157.016768	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2Na"	45.978436
"1401892"	105.013604	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H+2Na"	46.985712
"1434371"	315.067846	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H+HCOOH"	47.012746
"224801"	296.07734	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+3H2O+2H"	56.04448
"1521621"	329.11989	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+IsoProp+H"	61.06479
"421307"	299.031288	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+Na+K"	61.952376
"781939"	433.058838	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+Na+K"	61.952376
"1677540"	165.003738	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Na+K"	61.952376
"261873"	600.125968	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+ACN+Na"	64.015768
"1236770"	332.070868	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+ACN+Na"	64.015768
"1726751"	332.094393	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+NH4+HCOOH"	64.039293
"1192106"	112.340918	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+3Na"	68.967654
"1658718"	337.049788	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Na+HCOOH"	68.994688
"172023"	613.02924	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+2K-H"	76.91904
"612190"	881.08434	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+2K-H"	76.91904
"1098647"	344.97414	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2K-H"	76.91904
"151937"	307.018258	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"2M+2K"	77.926316
"589310"	441.045808	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"3M+2K"	77.926316
"1081476"	172.990708	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2K"	77.926316
"1110312"	346.988692	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2K+H"	78.933592
"1344509"	347.076307	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+DMSO+H"	79.021207
"1010853"	351.115476	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2ACN+H"	83.060376
"1532257"	352.109108	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+IsoProp+Na+H"	84.054008
"998704"	176.061376	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+2ACN+2H"	84.067652
"1591021"	353.023728	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+K+HCOOH"	84.968628
"1419968"	383.055238	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+H+CF3COOH"	115.000138
"1149163"	196.574651	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+3ACN+2H"	125.094202
"1701998"	400.081785	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+NH4+CF3COOH"	132.026685
"1637648"	405.03718	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+Na+CF3COOH"	136.98208
"1577675"	421.01112	"C20788"	"Homocystine;44-Dithiobis(2-aminobutyric acid)"	"C8H16N2O4S2"	"268.0551"	"M+K+CF3COOH"	152.95602
"804760"	198.0892	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M"	0
"981572"	179.07081	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-H2O-H"	-19.01839
"77472"	131.052190666667	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M-3H"	-3.021828
"515941"	197.081924	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M-3H"	-3.021828
"888271"	65.0224573333333	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-3H"	-3.021828
"6846"	197.081924	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M-2H"	-2.014552
"449687"	296.126524	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M-2H"	-2.014552
"828582"	98.037324	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-2H"	-2.014552
"87480"	395.171124	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M-H"	-1.007276
"524854"	593.260324	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M-H"	-1.007276
"905935"	197.081924	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-H"	-1.007276
"51561"	412.197671	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M-2H+NH4"	16.019271
"491489"	610.286871	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M-2H+NH4"	16.019271
"870021"	214.108471	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-2H+NH4"	16.019271
"37922"	417.153066	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M-2H+Na"	20.974666
"478940"	615.242266	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M-2H+Na"	20.974666
"852731"	219.063866	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-2H+Na"	20.974666
"1625916"	219.063866	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Na-2H"	20.974666
"100258"	215.070263	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M-H+Cl"	33.962126
"543099"	314.114863	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M-H+Cl"	33.962126
"942658"	116.025663	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-H+Cl"	33.962126
"275175"	431.147802	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+Cl"	34.969402
"671970"	629.237002	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+Cl"	34.969402
"1285838"	233.058602	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Cl"	34.969402
"24751"	433.127006	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M-2H+K"	36.948606
"466500"	631.216206	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M-2H+K"	36.948606
"844670"	235.037806	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-2H+K"	36.948606
"1568158"	235.037806	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+K-2H"	36.948606
"950207"	243.087394	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-H+HCOOH"	44.998194
"373888"	441.176601	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+HCOOH-H"	44.998201
"351210"	455.192251	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+Hac-H"	59.013851
"1502231"	257.103051	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Hac-H"	59.013851
"965763"	265.069351	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-H+NaCOOH"	66.980151
"123055"	233.058602	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+2Cl"	69.938804
"562615"	332.103202	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+2Cl"	69.938804
"1030321"	134.014002	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2Cl"	69.938804
"1252089"	277.008085	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Br"	78.918885
"1315630"	279.064072	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Cl+HCOOH"	80.974872
"1330943"	301.046029	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Cl+NaCOOH"	102.956829
"924186"	311.074786	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M-H+CF3COOH"	112.985586
"1293240"	347.051464	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Cl+CF3COOH"	148.962264
"1375773"	163.076524	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H-2H2O"	-35.012676
"1385615"	181.0865	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H-H2O"	-17.0027
"286761"	397.185676	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+H"	1.007276
"676632"	595.274876	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+H"	1.007276
"1355535"	199.096476	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H"	1.007276
"133528"	199.096476	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+2H"	2.014552
"569809"	298.141076	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+2H"	2.014552
"1046265"	100.051876	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2H"	2.014552
"215261"	133.066742666667	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+3H"	3.021828
"654819"	199.096476	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+3H"	3.021828
"1172945"	67.0370093333333	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+3H"	3.021828
"431844"	414.212223	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+NH4"	18.033823
"796121"	612.301423	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+NH4"	18.033823
"1693541"	216.123023	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+NH4"	18.033823
"340728"	207.6097495	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+H+NH4"	19.041099
"730961"	306.6543495	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+H+NH4"	19.041099
"1488062"	108.5651495	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H+NH4"	19.041099
"405649"	419.167618	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+Na"	22.989218
"766643"	617.256818	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+Na"	22.989218
"1615836"	221.078418	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Na"	22.989218
"324778"	210.087447	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+H+Na"	23.996494
"716106"	309.132047	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+H+Na"	23.996494
"1468833"	111.042847	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H+Na"	23.996494
"1055520"	74.3643233333333	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2H+Na"	25.00377
"1261571"	231.122686	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+CH3OH+H"	33.033486
"383431"	435.141558	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+K"	38.963158
"748799"	633.230758	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+K"	38.963158
"1551945"	237.052358	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+K"	38.963158
"304748"	218.074417	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+H+K"	39.970434
"697172"	317.119017	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+H+K"	39.970434
"1458647"	119.029817	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H+K"	39.970434
"248342"	438.212226	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+ACN+H"	42.033826
"1221049"	240.123026	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+ACN+H"	42.033826
"1201652"	120.565151	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+ACN+2H"	43.041102
"195618"	441.14956	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+2Na-H"	44.97116
"630923"	639.23876	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+2Na-H"	44.97116
"1134671"	243.06036	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2Na-H"	44.97116
"176503"	221.078418	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+2Na"	45.978436
"617520"	320.123018	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+2Na"	45.978436
"1120298"	122.033818	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2Na"	45.978436
"1402729"	81.6916373333333	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H+2Na"	46.985712
"1434482"	245.101946	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H+HCOOH"	47.012746
"221995"	226.11144	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+3H2O+2H"	56.04448
"1517351"	259.15399	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+IsoProp+H"	61.06479
"420323"	229.065388	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+Na+K"	61.952376
"782412"	328.109988	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+Na+K"	61.952376
"1674370"	130.020788	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Na+K"	61.952376
"258704"	460.194168	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+ACN+Na"	64.015768
"1234694"	262.104968	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+ACN+Na"	64.015768
"1721394"	262.128493	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+NH4+HCOOH"	64.039293
"1190759"	89.0189513333333	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+3Na"	68.967654
"1658828"	267.083888	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Na+HCOOH"	68.994688
"170065"	473.09744	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+2K-H"	76.91904
"606347"	671.18664	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+2K-H"	76.91904
"1095233"	275.00824	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2K-H"	76.91904
"149860"	237.052358	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"2M+2K"	77.926316
"589419"	336.096958	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"3M+2K"	77.926316
"1076118"	138.007758	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2K"	77.926316
"1109329"	277.022792	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2K+H"	78.933592
"1346806"	277.110407	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+DMSO+H"	79.021207
"1012056"	281.149576	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2ACN+H"	83.060376
"1530180"	282.143208	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+IsoProp+Na+H"	84.054008
"1001001"	141.078426	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+2ACN+2H"	84.067652
"1594411"	283.057828	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+K+HCOOH"	84.968628
"1414974"	313.089338	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+H+CF3COOH"	115.000138
"1147134"	161.591701	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+3ACN+2H"	125.094202
"1703200"	330.115885	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+NH4+CF3COOH"	132.026685
"1637758"	335.07128	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+Na+CF3COOH"	136.98208
"1577785"	351.04522	"C20789"	"7-Deoxyloganetate"	"C10H14O4"	"198.0892"	"M+K+CF3COOH"	152.95602
"811431"	212.1049	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M"	0
"984963"	193.08651	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-H2O-H"	-19.01839
"76124"	140.395990666667	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M-3H"	-3.021828
"514959"	211.097624	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M-3H"	-3.021828
"888382"	69.6943573333333	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-3H"	-3.021828
"10236"	211.097624	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M-2H"	-2.014552
"449797"	317.150074	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M-2H"	-2.014552
"827599"	105.045174	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-2H"	-2.014552
"81393"	423.202524	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M-H"	-1.007276
"529338"	635.307424	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M-H"	-1.007276
"904952"	211.097624	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-H"	-1.007276
"50941"	440.229071	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M-2H+NH4"	16.019271
"489774"	652.333971	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M-2H+NH4"	16.019271
"870130"	228.124171	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-2H+NH4"	16.019271
"34749"	445.184466	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M-2H+Na"	20.974666
"478686"	657.289366	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M-2H+Na"	20.974666
"851385"	233.079566	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-2H+Na"	20.974666
"1623839"	233.079566	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Na-2H"	20.974666
"105836"	229.085963	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M-H+Cl"	33.962126
"543209"	335.138413	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M-H+Cl"	33.962126
"938917"	123.033513	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-H+Cl"	33.962126
"275285"	459.179202	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+Cl"	34.969402
"673174"	671.284102	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+Cl"	34.969402
"1286313"	247.074302	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Cl"	34.969402
"25954"	461.158406	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M-2H+K"	36.948606
"464423"	673.263306	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M-2H+K"	36.948606
"843321"	249.053506	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-2H+K"	36.948606
"1566809"	249.053506	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+K-2H"	36.948606
"950316"	257.103094	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-H+HCOOH"	44.998194
"371811"	469.208001	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+HCOOH-H"	44.998201
"351320"	483.223651	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+Hac-H"	59.013851
"1499425"	271.118751	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Hac-H"	59.013851
"965873"	279.085051	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-H+NaCOOH"	66.980151
"122800"	247.074302	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+2Cl"	69.938804
"558350"	353.126752	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+2Cl"	69.938804
"1030431"	141.021852	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2Cl"	69.938804
"1253657"	291.023785	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Br"	78.918885
"1316833"	293.079772	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Cl+HCOOH"	80.974872
"1331053"	315.061729	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Cl+NaCOOH"	102.956829
"922109"	325.090486	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M-H+CF3COOH"	112.985586
"1291891"	361.067164	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Cl+CF3COOH"	148.962264
"1373696"	177.092224	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H-2H2O"	-35.012676
"1384993"	195.1022	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H-H2O"	-17.0027
"290152"	425.217076	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+H"	1.007276
"679658"	637.321976	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+H"	1.007276
"1354550"	213.112176	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H"	1.007276
"130722"	213.112176	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+2H"	2.014552
"568826"	319.164626	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+2H"	2.014552
"1045283"	107.059726	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2H"	2.014552
"217193"	142.410542666667	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+3H"	3.021828
"653836"	213.112176	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+3H"	3.021828
"1169775"	71.7089093333333	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+3H"	3.021828
"431955"	442.243623	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+NH4"	18.033823
"795137"	654.348523	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+NH4"	18.033823
"1691467"	230.138723	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+NH4"	18.033823
"338653"	221.6254495	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+H+NH4"	19.041099
"731071"	327.6778995	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+H+NH4"	19.041099
"1488173"	115.5729995	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H+NH4"	19.041099
"405759"	447.199018	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+Na"	22.989218
"767847"	659.303918	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+Na"	22.989218
"1616675"	235.094118	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Na"	22.989218
"326710"	224.103147	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+H+Na"	23.996494
"717309"	330.155597	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+H+Na"	23.996494
"1470036"	118.050697	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H+Na"	23.996494
"1055630"	79.0362233333333	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2H+Na"	25.00377
"1266056"	245.138386	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+CH3OH+H"	33.033486
"384634"	463.172958	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+K"	38.963158
"747816"	675.277858	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+K"	38.963158
"1549866"	251.068058	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+K"	38.963158
"305951"	232.090117	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+H+K"	39.970434
"698375"	338.142567	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+H+K"	39.970434
"1456570"	126.037667	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H+K"	39.970434
"246264"	466.243626	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+ACN+H"	42.033826
"1218972"	254.138726	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+ACN+H"	42.033826
"1199575"	127.573001	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+ACN+2H"	43.041102
"190987"	469.18096	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+2Na-H"	44.97116
"632367"	681.28586	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+2Na-H"	44.97116
"1134419"	257.07606	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2Na-H"	44.97116
"176251"	235.094118	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+2Na"	45.978436
"616901"	341.146568	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+2Na"	45.978436
"1118585"	129.041668	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2Na"	45.978436
"1401016"	86.3635373333333	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H+2Na"	46.985712
"1435322"	259.117646	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H+HCOOH"	47.012746
"223927"	240.12714	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+3H2O+2H"	56.04448
"1514181"	273.16969	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+IsoProp+H"	61.06479
"419340"	243.081088	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+Na+K"	61.952376
"780335"	349.133538	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+Na+K"	61.952376
"1674478"	137.028638	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Na+K"	61.952376
"258814"	488.225568	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+ACN+Na"	64.015768
"1234804"	276.120668	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+ACN+Na"	64.015768
"1721504"	276.144193	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+NH4+HCOOH"	64.039293
"1191233"	93.6908513333333	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+3Na"	68.967654
"1660032"	281.099588	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Na+HCOOH"	68.994688
"171268"	501.12884	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+2K-H"	76.91904
"609736"	713.23374	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+2K-H"	76.91904
"1096436"	289.02394	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2K-H"	76.91904
"154344"	251.068058	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"2M+2K"	77.926316
"589529"	357.120508	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"3M+2K"	77.926316
"1078416"	145.015608	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2K"	77.926316
"1112719"	291.038492	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2K+H"	78.933592
"1348010"	291.126107	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+DMSO+H"	79.021207
"1013262"	295.165276	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2ACN+H"	83.060376
"1534664"	296.158908	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+IsoProp+Na+H"	84.054008
"1000017"	148.086276	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+2ACN+2H"	84.067652
"1593428"	297.073528	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+K+HCOOH"	84.968628
"1415812"	327.105038	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+H+CF3COOH"	115.000138
"1147353"	168.599551	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+3ACN+2H"	125.094202
"1703311"	344.131585	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+NH4+CF3COOH"	132.026685
"1637868"	349.08698	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+Na+CF3COOH"	136.98208
"1577895"	365.06092	"C20790"	"7-Deoxyloganetin"	"C11H16O4"	"212.1049"	"M+K+CF3COOH"	152.95602
"802064"	325.2981	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M"	0
"981794"	306.27971	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-H2O-H"	-19.01839
"72223"	215.858124	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M-3H"	-3.021828
"512876"	324.290824	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M-3H"	-3.021828
"889586"	107.425424	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-3H"	-3.021828
"10349"	324.290824	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M-2H"	-2.014552
"448815"	486.939874	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M-2H"	-2.014552
"824428"	161.641774	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-2H"	-2.014552
"82235"	649.588924	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M-H"	-1.007276
"526168"	974.887024	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M-H"	-1.007276
"896312"	324.290824	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-H"	-1.007276
"49961"	666.615471	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M-2H+NH4"	16.019271
"489155"	991.913571	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M-2H+NH4"	16.019271
"865498"	341.317371	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-2H+NH4"	16.019271
"35224"	671.570866	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M-2H+Na"	20.974666
"474055"	996.868966	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M-2H+Na"	20.974666
"850767"	346.272766	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-2H+Na"	20.974666
"1623949"	346.272766	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Na-2H"	20.974666
"100479"	342.279163	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M-H+Cl"	33.962126
"541135"	504.928213	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M-H+Cl"	33.962126
"941214"	179.630113	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-H+Cl"	33.962126
"279047"	685.565602	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+Cl"	34.969402
"672199"	1010.863702	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+Cl"	34.969402
"1283508"	360.267502	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Cl"	34.969402
"24971"	687.544806	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M-2H+K"	36.948606
"466722"	1012.842906	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M-2H+K"	36.948606
"842337"	362.246706	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-2H+K"	36.948606
"1564732"	362.246706	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+K-2H"	36.948606
"948240"	370.296294	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-H+HCOOH"	44.998194
"366818"	695.594401	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+HCOOH-H"	44.998201
"351794"	709.610051	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+Hac-H"	59.013851
"1497346"	384.311951	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Hac-H"	59.013851
"966714"	392.278251	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-H+NaCOOH"	66.980151
"118901"	360.267502	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+2Cl"	69.938804
"556272"	522.916552	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+2Cl"	69.938804
"1031637"	197.618452	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2Cl"	69.938804
"1252309"	404.216985	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Br"	78.918885
"1313664"	406.272972	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Cl+HCOOH"	80.974872
"1330069"	428.254929	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Cl+NaCOOH"	102.956829
"920034"	438.283686	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M-H+CF3COOH"	112.985586
"1296737"	474.260364	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Cl+CF3COOH"	148.962264
"1374899"	290.285424	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H-2H2O"	-35.012676
"1386564"	308.2954	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H-H2O"	-17.0027
"286618"	651.603476	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+H"	1.007276
"683416"	976.901576	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+H"	1.007276
"1354662"	326.305376	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H"	1.007276
"130466"	326.305376	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+2H"	2.014552
"568935"	488.954426	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+2H"	2.014552
"1042109"	163.656326	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2H"	2.014552
"212198"	217.872676	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+3H"	3.021828
"651760"	326.305376	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+3H"	3.021828
"1173165"	109.439976	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+3H"	3.021828
"432064"	668.630023	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+NH4"	18.033823
"795247"	993.928123	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+NH4"	18.033823
"1690484"	343.331923	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+NH4"	18.033823
"338761"	334.8186495	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+H+NH4"	19.041099
"733368"	497.4676995	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+H+NH4"	19.041099
"1487189"	172.1695995	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H+NH4"	19.041099
"405869"	673.585418	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+Na"	22.989218
"764678"	998.883518	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+Na"	22.989218
"1613870"	348.287318	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Na"	22.989218
"323904"	337.296347	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+H+Na"	23.996494
"714139"	499.945397	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+H+Na"	23.996494
"1470149"	174.647297	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H+Na"	23.996494
"1060114"	116.76729	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2H+Na"	25.00377
"1270540"	358.331586	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+CH3OH+H"	33.033486
"386931"	689.559358	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+K"	38.963158
"752300"	1014.857458	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+K"	38.963158
"1549979"	364.261258	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+K"	38.963158
"307157"	345.283317	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+H+K"	39.970434
"698485"	507.932367	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+H+K"	39.970434
"1454491"	182.634267	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H+K"	39.970434
"245280"	692.630026	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+ACN+H"	42.033826
"1215802"	367.331926	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+ACN+H"	42.033826
"1197495"	184.169601	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+ACN+2H"	43.041102
"190734"	695.56736	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+2Na-H"	44.97116
"634303"	1020.86546	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+2Na-H"	44.97116
"1134891"	370.26926	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2Na-H"	44.97116
"177087"	348.287318	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+2Na"	45.978436
"615559"	510.936368	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+2Na"	45.978436
"1117603"	185.638268	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2Na"	45.978436
"1401853"	124.094604	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H+2Na"	46.985712
"1431421"	372.310846	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H+HCOOH"	47.012746
"222947"	353.32034	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+3H2O+2H"	56.04448
"1514291"	386.36289	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+IsoProp+H"	61.06479
"412888"	356.274288	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+Na+K"	61.952376
"772424"	518.923338	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+Na+K"	61.952376
"1678965"	193.625238	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Na+K"	61.952376
"262203"	714.611968	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+ACN+Na"	64.015768
"1233818"	389.313868	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+ACN+Na"	64.015768
"1723802"	389.337393	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+NH4+HCOOH"	64.039293
"1190250"	131.421918	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+3Na"	68.967654
"1659049"	394.292788	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Na+HCOOH"	68.994688
"172230"	727.51524	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+2K-H"	76.91904
"610939"	1052.81334	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+2K-H"	76.91904
"1097639"	402.21714	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2K-H"	76.91904
"150082"	364.261258	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"2M+2K"	77.926316
"589639"	526.910308	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"3M+2K"	77.926316
"1072331"	201.612208	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2K"	77.926316
"1104083"	404.231692	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2K+H"	78.933592
"1342654"	404.319307	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+DMSO+H"	79.021207
"1013367"	408.358476	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2ACN+H"	83.060376
"1533682"	409.352108	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+IsoProp+Na+H"	84.054008
"996848"	204.682876	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+2ACN+2H"	84.067652
"1590259"	410.266728	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+K+HCOOH"	84.968628
"1415072"	440.298238	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+H+CF3COOH"	115.000138
"1153869"	225.196151	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+3ACN+2H"	125.094202
"1707797"	457.324785	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+NH4+CF3COOH"	132.026685
"1640166"	462.28018	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+Na+CF3COOH"	136.98208
"1572539"	478.25412	"C20792"	"Oleoylethanolamide;OEA"	"C20H39NO2"	"325.2981"	"M+K+CF3COOH"	152.95602
"813841"	160.1099	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M"	0
"984091"	141.09151	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-H2O-H"	-19.01839
"73429"	105.732657333333	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M-3H"	-3.021828
"515905"	159.102624	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M-3H"	-3.021828
"887510"	52.3626906666667	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-3H"	-3.021828
"10459"	159.102624	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M-2H"	-2.014552
"446738"	239.157574	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M-2H"	-2.014552
"826727"	79.047674	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-2H"	-2.014552
"84532"	319.212524	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M-H"	-1.007276
"521905"	479.322424	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M-H"	-1.007276
"898610"	159.102624	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-H"	-1.007276
"50073"	336.239071	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M-2H+NH4"	16.019271
"491456"	496.348971	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M-2H+NH4"	16.019271
"867799"	176.129171	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-2H+NH4"	16.019271
"34240"	341.194466	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M-2H+Na"	20.974666
"473803"	501.304366	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M-2H+Na"	20.974666
"856709"	181.084566	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-2H+Na"	20.974666
"1632808"	181.084566	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Na-2H"	20.974666
"100589"	177.090963	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M-H+Cl"	33.962126
"541245"	257.145913	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M-H+Cl"	33.962126
"938045"	97.036013	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-H+Cl"	33.962126
"278426"	355.189202	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+Cl"	34.969402
"671942"	515.299102	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+Cl"	34.969402
"1282525"	195.079302	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Cl"	34.969402
"23988"	357.168406	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M-2H+K"	36.948606
"466833"	517.278306	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M-2H+K"	36.948606
"840622"	197.058506	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-2H+K"	36.948606
"1563748"	197.058506	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+K-2H"	36.948606
"948350"	205.108094	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-H+HCOOH"	44.998194
"369846"	365.218001	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+HCOOH-H"	44.998201
"351904"	379.233651	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+Hac-H"	59.013851
"1501468"	219.123751	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Hac-H"	59.013851
"965729"	227.090051	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-H+NaCOOH"	66.980151
"121199"	195.079302	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+2Cl"	69.938804
"558570"	275.134252	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+2Cl"	69.938804
"1027008"	115.024352	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2Cl"	69.938804
"1250232"	239.028785	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Br"	78.918885
"1310858"	241.084772	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Cl+HCOOH"	80.974872
"1324345"	263.066729	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Cl+NaCOOH"	102.956829
"912851"	273.095486	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M-H+CF3COOH"	112.985586
"1293931"	309.072164	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Cl+CF3COOH"	148.962264
"1370270"	125.097224	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H-2H2O"	-35.012676
"1386314"	143.1072	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H-H2O"	-17.0027
"286730"	321.227076	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+H"	1.007276
"682433"	481.336976	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+H"	1.007276
"1358783"	161.117176	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H"	1.007276
"130579"	161.117176	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+2H"	2.014552
"567952"	241.172126	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+2H"	2.014552
"1042219"	81.062226	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2H"	2.014552
"211215"	107.747209333333	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+3H"	3.021828
"655151"	161.117176	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+3H"	3.021828
"1171089"	54.3772426666667	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+3H"	3.021828
"436548"	338.253623	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+NH4"	18.033823
"798274"	498.363523	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+NH4"	18.033823
"1692781"	178.143723	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+NH4"	18.033823
"341059"	169.6304495	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+H+NH4"	19.041099
"735303"	249.6853995	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+H+NH4"	19.041099
"1488395"	89.5754995	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H+NH4"	19.041099
"407443"	343.209018	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+Na"	22.989218
"766975"	503.318918	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+Na"	22.989218
"1616167"	183.099118	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Na"	22.989218
"325838"	172.108147	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+H+Na"	23.996494
"716072"	252.163097	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+H+Na"	23.996494
"1470259"	92.053197	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H+Na"	23.996494
"1060224"	61.7045566666667	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2H+Na"	25.00377
"1269557"	193.143386	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+CH3OH+H"	33.033486
"389228"	359.182958	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+K"	38.963158
"751317"	519.292858	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+K"	38.963158
"1551183"	199.073058	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+K"	38.963158
"306174"	180.095117	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+H+K"	39.970434
"698595"	260.150067	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+H+K"	39.970434
"1451321"	100.040167	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H+K"	39.970434
"243202"	362.253626	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+ACN+H"	42.033826
"1213725"	202.143726	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+ACN+H"	42.033826
"1199065"	101.575501	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+ACN+2H"	43.041102
"193027"	365.19096	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+2Na-H"	44.97116
"634777"	525.30086	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+2Na-H"	44.97116
"1135730"	205.08106	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2Na-H"	44.97116
"174647"	183.099118	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+2Na"	45.978436
"614939"	263.154068	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+2Na"	45.978436
"1116982"	103.044168	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2Na"	45.978436
"1400872"	69.0318706666667	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H+2Na"	46.985712
"1431168"	207.122646	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H+HCOOH"	47.012746
"220867"	188.13214	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+3H2O+2H"	56.04448
"1513308"	221.17469	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+IsoProp+H"	61.06479
"412998"	191.086088	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+Na+K"	61.952376
"778367"	271.141038	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+Na+K"	61.952376
"1674701"	111.031138	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Na+K"	61.952376
"260126"	384.235568	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+ACN+Na"	64.015768
"1232834"	224.125668	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+ACN+Na"	64.015768
"1720630"	224.149193	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+NH4+HCOOH"	64.039293
"1189265"	76.3591846666667	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+3Na"	68.967654
"1661345"	229.104588	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Na+HCOOH"	68.994688
"169301"	397.13884	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+2K-H"	76.91904
"602299"	557.24874	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+2K-H"	76.91904
"1095560"	237.02894	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2K-H"	76.91904
"152377"	199.073058	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"2M+2K"	77.926316
"590842"	279.128008	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"3M+2K"	77.926316
"1080824"	119.018108	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2K"	77.926316
"1113790"	239.043492	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2K+H"	78.933592
"1348229"	239.131107	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+DMSO+H"	79.021207
"1009108"	243.170276	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2ACN+H"	83.060376
"1529418"	244.163908	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+IsoProp+Na+H"	84.054008
"993682"	122.088776	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+2ACN+2H"	84.067652
"1589278"	245.078528	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+K+HCOOH"	84.968628
"1416034"	275.110038	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+H+CF3COOH"	115.000138
"1156171"	142.602051	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+3ACN+2H"	125.094202
"1710094"	292.136585	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+NH4+CF3COOH"	132.026685
"1638090"	297.09198	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+Na+CF3COOH"	136.98208
"1575929"	313.06592	"C20793"	"3-Hydroxyoctanoate;3-Hydroxyoctanoic acid"	"C8H16O3"	"160.1099"	"M+K+CF3COOH"	152.95602
"812858"	601.2959	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M"	0
"982016"	582.27751	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-H2O-H"	-19.01839
"75363"	399.856657333333	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M-3H"	-3.021828
"507632"	600.288624	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M-3H"	-3.021828
"885432"	199.424690666667	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-3H"	-3.021828
"6194"	600.288624	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M-2H"	-2.014552
"450129"	900.936574	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M-2H"	-2.014552
"822463"	299.640674	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-2H"	-2.014552
"83549"	1201.584524	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M-H"	-1.007276
"521286"	1802.880424	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M-H"	-1.007276
"900913"	600.288624	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-H"	-1.007276
"50914"	1218.611071	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M-2H+NH4"	16.019271
"492660"	1819.906971	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M-2H+NH4"	16.019271
"870463"	617.315171	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-2H+NH4"	16.019271
"35443"	1223.566466	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M-2H+Na"	20.974666
"473550"	1824.862366	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M-2H+Na"	20.974666
"853544"	622.270566	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-2H+Na"	20.974666
"1620889"	622.270566	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Na-2H"	20.974666
"103981"	618.276963	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M-H+Cl"	33.962126
"544639"	918.924913	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M-H+Cl"	33.962126
"939247"	317.629013	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-H+Cl"	33.962126
"275622"	1237.561202	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+Cl"	34.969402
"668043"	1838.857102	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+Cl"	34.969402
"1278625"	636.265302	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Cl"	34.969402
"21181"	1239.540406	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M-2H+K"	36.948606
"461835"	1840.836306	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M-2H+K"	36.948606
"841096"	638.244506	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-2H+K"	36.948606
"1562763"	638.244506	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+K-2H"	36.948606
"948457"	646.294094	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-H+HCOOH"	44.998194
"372507"	1247.590001	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+HCOOH-H"	44.998201
"354930"	1261.605651	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+Hac-H"	59.013851
"1500847"	660.309751	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Hac-H"	59.013851
"965837"	668.276051	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-H+NaCOOH"	66.980151
"118026"	636.265302	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+2Cl"	69.938804
"557590"	936.913252	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+2Cl"	69.938804
"1026387"	335.617352	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2Cl"	69.938804
"1250343"	680.214785	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Br"	78.918885
"1313885"	682.270772	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Cl+HCOOH"	80.974872
"1324820"	704.252729	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Cl+NaCOOH"	102.956829
"919156"	714.281486	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M-H+CF3COOH"	112.985586
"1294044"	750.258164	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Cl+CF3COOH"	148.962264
"1369288"	566.283224	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H-2H2O"	-35.012676
"1383872"	584.2932	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H-H2O"	-17.0027
"283923"	1203.599076	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+H"	1.007276
"682543"	1804.894976	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+H"	1.007276
"1357799"	602.303176	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H"	1.007276
"135063"	602.303176	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+2H"	2.014552
"576811"	902.951126	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+2H"	2.014552
"1049985"	301.655226	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2H"	2.014552
"217162"	401.871209333333	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+3H"	3.021828
"656354"	602.303176	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+3H"	3.021828
"1176305"	201.439242666667	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+3H"	3.021828
"437391"	1220.625623	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+NH4"	18.033823
"798749"	1821.921523	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+NH4"	18.033823
"1693988"	619.329723	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+NH4"	18.033823
"344087"	610.8164495	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+H+NH4"	19.041099
"733593"	911.4643995	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+H+NH4"	19.041099
"1488508"	310.1684995	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H+NH4"	19.041099
"405727"	1225.581018	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+Na"	22.989218
"765993"	1826.876918	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+Na"	22.989218
"1614817"	624.285118	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Na"	22.989218
"323760"	613.294147	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+H+Na"	23.996494
"716181"	913.942097	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+H+Na"	23.996494
"1469276"	312.646197	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H+Na"	23.996494
"1060334"	208.766556666667	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2H+Na"	25.00377
"1268574"	634.329386	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+CH3OH+H"	33.033486
"390430"	1241.554958	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+K"	38.963158
"751060"	1842.850858	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+K"	38.963158
"1541450"	640.259058	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+K"	38.963158
"307378"	621.281117	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+H+K"	39.970434
"701986"	921.929067	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+H+K"	39.970434
"1454714"	320.633167	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H+K"	39.970434
"244406"	1244.625626	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+ACN+H"	42.033826
"1213834"	643.329726	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+ACN+H"	42.033826
"1200267"	322.168501	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+ACN+2H"	43.041102
"193865"	1247.56296	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+2Na-H"	44.97116
"632697"	1848.85886	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+2Na-H"	44.97116
"1133289"	646.26706	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2Na-H"	44.97116
"175483"	624.285118	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+2Na"	45.978436
"613704"	924.933068	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+2Na"	45.978436
"1116725"	323.637168	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2Na"	45.978436
"1400978"	216.093870666667	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H+2Na"	46.985712
"1432731"	648.308646	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H+HCOOH"	47.012746
"220978"	629.31814	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+3H2O+2H"	56.04448
"1514516"	662.36069	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+IsoProp+H"	61.06479
"411285"	632.272088	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+Na+K"	61.952376
"773011"	932.920038	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+Na+K"	61.952376
"1668616"	331.624138	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Na+K"	61.952376
"255863"	1266.607568	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+ACN+Na"	64.015768
"1228572"	665.311668	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+ACN+Na"	64.015768
"1718555"	665.335193	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+NH4+HCOOH"	64.039293
"1187190"	223.421184666667	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+3Na"	68.967654
"1660364"	670.290588	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Na+HCOOH"	68.994688
"169412"	1279.51084	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+2K-H"	76.91904
"608971"	1880.80674	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+2K-H"	76.91904
"1093483"	678.21494	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2K-H"	76.91904
"151393"	640.259058	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"2M+2K"	77.926316
"589859"	940.907008	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"3M+2K"	77.926316
"1080934"	339.611108	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2K"	77.926316
"1113049"	680.229492	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2K+H"	78.933592
"1343971"	680.317107	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+DMSO+H"	79.021207
"1009219"	684.356276	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2ACN+H"	83.060376
"1528433"	685.349908	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+IsoProp+Na+H"	84.054008
"991605"	342.681776	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+2ACN+2H"	84.067652
"1593768"	686.264528	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+K+HCOOH"	84.968628
"1421616"	716.296038	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+H+CF3COOH"	115.000138
"1157373"	363.195051	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+3ACN+2H"	125.094202
"1709109"	733.322585	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+NH4+CF3COOH"	132.026685
"1637110"	738.27798	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+Na+CF3COOH"	136.98208
"1581508"	754.25192	"C20795"	"Penitrem C"	"C37H44ClNO4"	"601.2959"	"M+K+CF3COOH"	152.95602
"811873"	156.0092	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M"	0
"983218"	136.99081	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-H2O-H"	-19.01839
"74377"	102.998857333333	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M-3H"	-3.021828
"516489"	155.001924	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M-3H"	-3.021828
"887729"	50.9957906666667	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-3H"	-3.021828
"7397"	155.001924	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M-2H"	-2.014552
"446958"	233.006524	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M-2H"	-2.014552
"825853"	76.997324	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-2H"	-2.014552
"83660"	311.011124	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M-H"	-1.007276
"521031"	467.020324	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M-H"	-1.007276
"904303"	155.001924	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-H"	-1.007276
"56491"	328.037671	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M-2H+NH4"	16.019271
"493864"	484.046871	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M-2H+NH4"	16.019271
"873853"	172.028471	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-2H+NH4"	16.019271
"35195"	332.993066	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M-2H+Na"	20.974666
"482411"	489.002266	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M-2H+Na"	20.974666
"853655"	176.983866	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-2H+Na"	20.974666
"1630845"	176.983866	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Na-2H"	20.974666
"104100"	172.990263	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M-H+Cl"	33.962126
"543662"	250.994863	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M-H+Cl"	33.962126
"937174"	94.985663	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-H+Cl"	33.962126
"275729"	346.987802	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+Cl"	34.969402
"666332"	502.997002	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+Cl"	34.969402
"1283842"	190.978602	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Cl"	34.969402
"22750"	348.967006	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M-2H+K"	36.948606
"467051"	504.976206	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M-2H+K"	36.948606
"841575"	192.957806	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-2H+K"	36.948606
"1563967"	192.957806	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+K-2H"	36.948606
"952945"	201.007394	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-H+HCOOH"	44.998194
"372252"	357.016601	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+HCOOH-H"	44.998201
"352857"	371.032251	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+Hac-H"	59.013851
"1502420"	215.023051	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Hac-H"	59.013851
"967042"	222.989351	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-H+NaCOOH"	66.980151
"118140"	190.978602	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+2Cl"	69.938804
"556605"	268.983202	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+2Cl"	69.938804
"1030874"	112.974002	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2Cl"	69.938804
"1250450"	234.928085	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Br"	78.918885
"1313996"	236.984072	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Cl+HCOOH"	80.974872
"1324929"	258.966029	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Cl+NaCOOH"	102.956829
"915625"	268.994786	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M-H+CF3COOH"	112.985586
"1291969"	304.971464	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Cl+CF3COOH"	148.962264
"1370130"	120.996524	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H-2H2O"	-35.012676
"1391639"	139.0065	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H-H2O"	-17.0027
"291326"	313.025676	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+H"	1.007276
"684842"	469.034876	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+H"	1.007276
"1364473"	157.016476	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H"	1.007276
"139549"	157.016476	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+2H"	2.014552
"580812"	235.021076	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+2H"	2.014552
"1050096"	79.011876	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2H"	2.014552
"219745"	105.013409333333	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+3H"	3.021828
"659260"	157.016476	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+3H"	3.021828
"1178241"	53.0103426666667	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+3H"	3.021828
"439924"	330.052223	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+NH4"	18.033823
"801340"	486.061423	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+NH4"	18.033823
"1696899"	174.043023	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+NH4"	18.033823
"345577"	165.5297495	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+H+NH4"	19.041099
"737956"	243.5343495	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+H+NH4"	19.041099
"1489708"	87.5251495	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H+NH4"	19.041099
"407295"	335.007618	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+Na"	22.989218
"767197"	491.016818	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+Na"	22.989218
"1618255"	178.998418	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Na"	22.989218
"328245"	168.007447	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+H+Na"	23.996494
"715566"	246.012047	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+H+Na"	23.996494
"1471571"	90.002847	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H+Na"	23.996494
"1063724"	60.3376566666667	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2H+Na"	25.00377
"1263215"	189.042686	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+CH3OH+H"	33.033486
"386164"	350.981558	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+K"	38.963158
"748262"	506.990758	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+K"	38.963158
"1544844"	194.972358	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+K"	38.963158
"303115"	175.994417	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+H+K"	39.970434
"705381"	253.999017	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+H+K"	39.970434
"1452637"	97.989817	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H+K"	39.970434
"238318"	354.052226	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+ACN+H"	42.033826
"1218319"	198.043026	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+ACN+H"	42.033826
"1197826"	99.525151	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+ACN+2H"	43.041102
"192883"	356.98956	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+2Na-H"	44.97116
"633904"	512.99876	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+2Na-H"	44.97116
"1133762"	200.98036	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2Na-H"	44.97116
"173407"	178.998418	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+2Na"	45.978436
"615035"	257.003018	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+2Na"	45.978436
"1117203"	100.993818	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2Na"	45.978436
"1398993"	67.6649706666667	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H+2Na"	46.985712
"1439052"	203.021946	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H+HCOOH"	47.012746
"226562"	184.03144	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+3H2O+2H"	56.04448
"1510614"	217.07399	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+IsoProp+H"	61.06479
"411031"	186.985388	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+Na+K"	61.952376
"773119"	264.989988	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+Na+K"	61.952376
"1668357"	108.980788	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Na+K"	61.952376
"255606"	376.034168	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+ACN+Na"	64.015768
"1241206"	220.024968	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+ACN+Na"	64.015768
"1721946"	220.048493	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+NH4+HCOOH"	64.039293
"1189487"	74.9922846666667	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+3Na"	68.967654
"1657192"	225.003888	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Na+HCOOH"	68.994688
"168427"	388.93744	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+2K-H"	76.91904
"610175"	544.94664	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+2K-H"	76.91904
"1094686"	232.92824	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2K-H"	76.91904
"148222"	194.972358	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"2M+2K"	77.926316
"593250"	272.976958	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"3M+2K"	77.926316
"1082136"	116.967758	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2K"	77.926316
"1112070"	234.942792	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2K+H"	78.933592
"1348455"	235.030407	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+DMSO+H"	79.021207
"1009329"	239.069576	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2ACN+H"	83.060376
"1531831"	240.063208	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+IsoProp+Na+H"	84.054008
"996096"	120.038426	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+2ACN+2H"	84.067652
"1590601"	240.977828	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+K+HCOOH"	84.968628
"1418446"	271.009338	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+H+CF3COOH"	115.000138
"1152016"	140.551701	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+3ACN+2H"	125.094202
"1704850"	288.035885	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+NH4+CF3COOH"	132.026685
"1634340"	292.99128	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+Na+CF3COOH"	136.98208
"1581619"	308.96522	"C20797"	"23-Dihydroxypropane-1-sulfonate;3-Sulfopropanediol"	"C3H8O5S"	"156.0092"	"M+K+CF3COOH"	152.95602
"802142"	153.9936	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M"	0
"978955"	134.97521	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H2O-H"	-19.01839
"68290"	101.655124	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-3H"	-3.021828
"511129"	152.986324	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-3H"	-3.021828
"883465"	50.323924	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-3H"	-3.021828
"336"	152.986324	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H"	-2.014552
"449255"	229.983124	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H"	-2.014552
"823776"	75.989524	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H"	-2.014552
"82676"	306.979924	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-H"	-1.007276
"518708"	460.973524	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-H"	-1.007276
"901133"	152.986324	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H"	-1.007276
"53321"	324.006471	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H+NH4"	16.019271
"492880"	478.000071	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H+NH4"	16.019271
"871776"	170.012871	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H+NH4"	16.019271
"36397"	328.961866	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H+Na"	20.974666
"473767"	482.955466	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H+Na"	20.974666
"853765"	174.968266	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H+Na"	20.974666
"1621111"	174.968266	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na-2H"	20.974666
"107489"	170.974663	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-H+Cl"	33.962126
"546687"	247.971463	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-H+Cl"	33.962126
"939470"	93.977863	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+Cl"	33.962126
"276932"	342.956602	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Cl"	34.969402
"669357"	496.950202	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+Cl"	34.969402
"1285042"	188.963002	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl"	34.969402
"25411"	344.935806	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H+K"	36.948606
"468982"	498.929406	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H+K"	36.948606
"844963"	190.942206	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H+K"	36.948606
"1564077"	190.942206	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K-2H"	36.948606
"954146"	198.991794	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+HCOOH"	44.998194
"372362"	352.985401	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+HCOOH-H"	44.998201
"356246"	367.001051	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Hac-H"	59.013851
"1504352"	213.007451	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Hac-H"	59.013851
"967152"	220.973751	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+NaCOOH"	66.980151
"120072"	188.963002	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2Cl"	69.938804
"558901"	265.959802	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2Cl"	69.938804
"1028794"	111.966202	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2Cl"	69.938804
"1246549"	232.912485	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Br"	78.918885
"1314105"	234.968472	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl+HCOOH"	80.974872
"1329413"	256.950429	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl+NaCOOH"	102.956829
"921565"	266.979186	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+CF3COOH"	112.985586
"1296085"	302.955864	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl+CF3COOH"	148.962264
"1368779"	118.980924	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H-2H2O"	-35.012676
"1388469"	136.9909	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H-H2O"	-17.0027
"290343"	308.994476	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H"	1.007276
"687138"	462.988076	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H"	1.007276
"1364582"	155.000876	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H"	1.007276
"141324"	155.000876	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2H"	2.014552
"580314"	231.997676	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2H"	2.014552
"1052741"	78.004076	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2H"	2.014552
"219947"	103.669676	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+3H"	3.021828
"659127"	155.000876	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+3H"	3.021828
"1177131"	52.338476	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+3H"	3.021828
"439638"	326.021023	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+NH4"	18.033823
"800794"	480.014623	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+NH4"	18.033823
"1696520"	172.027423	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+NH4"	18.033823
"343945"	163.5141495	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H+NH4"	19.041099
"737093"	240.5109495	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H+NH4"	19.041099
"1492210"	86.5173495	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+NH4"	19.041099
"406309"	330.976418	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Na"	22.989218
"769737"	484.970018	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+Na"	22.989218
"1617954"	176.982818	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na"	22.989218
"325438"	165.991847	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H+Na"	23.996494
"720050"	242.988647	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H+Na"	23.996494
"1470589"	88.995047	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+Na"	23.996494
"1061647"	59.66579	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2H+Na"	25.00377
"1264418"	187.027086	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+CH3OH+H"	33.033486
"387368"	346.950358	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+K"	38.963158
"749465"	500.943958	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+K"	38.963158
"1548235"	192.956758	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K"	38.963158
"306506"	173.978817	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H+K"	39.970434
"705489"	250.975617	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H+K"	39.970434
"1453841"	96.982017	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+K"	39.970434
"240253"	350.021026	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+ACN+H"	42.033826
"1218429"	196.027426	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+ACN+H"	42.033826
"1199029"	98.517351	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+ACN+2H"	43.041102
"191902"	352.95836	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2Na-H"	44.97116
"632555"	506.95196	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2Na-H"	44.97116
"1133387"	198.96476	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2Na-H"	44.97116
"173518"	176.982818	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2Na"	45.978436
"614169"	253.979618	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2Na"	45.978436
"1117068"	99.986018	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2Na"	45.978436
"1402672"	66.993104	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+2Na"	46.985712
"1434788"	201.006346	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+HCOOH"	47.012746
"231048"	182.01584	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+3H2O+2H"	56.04448
"1511820"	215.05839	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+IsoProp+H"	61.06479
"411506"	184.969788	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Na+K"	61.952376
"777606"	261.966588	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+Na+K"	61.952376
"1675032"	107.972988	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na+K"	61.952376
"259364"	372.002968	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+ACN+Na"	64.015768
"1241198"	218.009368	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+ACN+Na"	64.015768
"1727733"	218.032893	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+NH4+HCOOH"	64.039293
"1192759"	74.320418	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+3Na"	68.967654
"1662772"	222.988288	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na+HCOOH"	68.994688
"169632"	384.90624	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2K-H"	76.91904
"610285"	538.89984	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2K-H"	76.91904
"1094798"	230.91264	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2K-H"	76.91904
"148333"	192.956758	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2K"	77.926316
"590080"	269.953558	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2K"	77.926316
"1075686"	115.959958	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2K"	77.926316
"1107806"	232.927192	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2K+H"	78.933592
"1346378"	233.014807	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+DMSO+H"	79.021207
"1010533"	237.053976	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2ACN+H"	83.060376
"1526472"	238.047608	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+IsoProp+Na+H"	84.054008
"995110"	119.030626	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2ACN+2H"	84.067652
"1593989"	238.962228	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K+HCOOH"	84.968628
"1417462"	268.993738	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+CF3COOH"	115.000138
"1149937"	139.543901	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+3ACN+2H"	125.094202
"1706053"	286.020285	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+NH4+CF3COOH"	132.026685
"1634654"	290.97568	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na+CF3COOH"	136.98208
"1581729"	306.94962	"C20798"	"2-Hydroxy-3-oxopropane-1-sulfonate;3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K+CF3COOH"	152.95602
"802252"	417.0631	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M"	0
"979065"	398.04471	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-H2O-H"	-19.01839
"68400"	277.034790666667	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M-3H"	-3.021828
"507959"	416.055824	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M-3H"	-3.021828
"885762"	138.013757333333	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-3H"	-3.021828
"157"	416.055824	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M-2H"	-2.014552
"447179"	624.587374	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M-2H"	-2.014552
"824980"	207.524274	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-2H"	-2.014552
"80962"	833.118924	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M-H"	-1.007276
"519549"	1250.182024	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M-H"	-1.007276
"897963"	416.055824	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-H"	-1.007276
"55618"	850.145471	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M-2H+NH4"	16.019271
"492990"	1267.208571	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M-2H+NH4"	16.019271
"870793"	433.082371	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-2H+NH4"	16.019271
"38694"	855.100866	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M-2H+Na"	20.974666
"473150"	1272.163966	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M-2H+Na"	20.974666
"853873"	438.037766	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-2H+Na"	20.974666
"1622313"	438.037766	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Na-2H"	20.974666
"106505"	434.044163	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M-H+Cl"	33.962126
"547890"	642.575713	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M-H+Cl"	33.962126
"939580"	225.512613	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-H+Cl"	33.962126
"275949"	869.095602	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+Cl"	34.969402
"669467"	1286.158702	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+Cl"	34.969402
"1285152"	452.032502	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Cl"	34.969402
"28801"	871.074806	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M-2H+K"	36.948606
"465080"	1288.137906	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M-2H+K"	36.948606
"841789"	454.011706	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-2H+K"	36.948606
"1566372"	454.011706	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+K-2H"	36.948606
"954255"	462.061294	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-H+HCOOH"	44.998194
"374658"	879.124401	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+HCOOH-H"	44.998201
"355262"	893.140051	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+Hac-H"	59.013851
"1504094"	476.076951	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Hac-H"	59.013851
"967262"	484.043251	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-H+NaCOOH"	66.980151
"119088"	452.032502	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+2Cl"	69.938804
"559011"	660.564052	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+2Cl"	69.938804
"1028904"	243.500952	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2Cl"	69.938804
"1249575"	495.981985	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Br"	78.918885
"1306559"	498.037972	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Cl+HCOOH"	80.974872
"1321869"	520.019929	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Cl+NaCOOH"	102.956829
"916208"	530.048686	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M-H+CF3COOH"	112.985586
"1298382"	566.025364	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Cl+CF3COOH"	148.962264
"1369254"	382.050424	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H-2H2O"	-35.012676
"1386392"	400.0604	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H-H2O"	-17.0027
"288266"	835.133476	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+H"	1.007276
"686155"	1252.196576	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+H"	1.007276
"1363599"	418.070376	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H"	1.007276
"139770"	418.070376	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+2H"	2.014552
"580060"	626.601926	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+2H"	2.014552
"1052019"	209.538826	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2H"	2.014552
"219315"	279.049342666667	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+3H"	3.021828
"658872"	418.070376	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+3H"	3.021828
"1177974"	140.028309333333	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+3H"	3.021828
"439304"	852.160023	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+NH4"	18.033823
"801108"	1269.223123	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+NH4"	18.033823
"1696387"	435.096923	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+NH4"	18.033823
"345152"	426.5836495	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+H+NH4"	19.041099
"738509"	635.1151995	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+H+NH4"	19.041099
"1491390"	218.0520995	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H+NH4"	19.041099
"406421"	857.115418	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+Na"	22.989218
"768875"	1274.178518	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+Na"	22.989218
"1617339"	440.052318	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Na"	22.989218
"325184"	429.061347	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+H+Na"	23.996494
"718339"	637.592897	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+H+Na"	23.996494
"1468878"	220.529797	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H+Na"	23.996494
"1063580"	147.355623333333	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2H+Na"	25.00377
"1267809"	450.096586	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+CH3OH+H"	33.033486
"388938"	873.089358	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+K"	38.963158
"749574"	1290.152458	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+K"	38.963158
"1546158"	456.026258	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+K"	38.963158
"306614"	437.048317	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+H+K"	39.970434
"701225"	645.579867	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+H+K"	39.970434
"1453951"	228.516767	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H+K"	39.970434
"240364"	876.160026	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+ACN+H"	42.033826
"1217445"	459.096926	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+ACN+H"	42.033826
"1195858"	230.052101	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+ACN+2H"	43.041102
"191281"	879.09736	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+2Na-H"	44.97116
"630844"	1296.16046	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+2Na-H"	44.97116
"1133258"	462.03426	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2Na-H"	44.97116
"175450"	440.052318	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+2Na"	45.978436
"614283"	648.583868	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+2Na"	45.978436
"1117301"	231.520768	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2Na"	45.978436
"1402782"	154.682937333333	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H+2Na"	46.985712
"1434898"	464.075846	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H+HCOOH"	47.012746
"232251"	445.08534	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+3H2O+2H"	56.04448
"1513753"	478.12789	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+IsoProp+H"	61.06479
"409064"	448.039288	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+Na+K"	61.952376
"776623"	656.570838	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+Na+K"	61.952376
"1675142"	239.507738	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Na+K"	61.952376
"260567"	898.141968	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+ACN+Na"	64.015768
"1237654"	481.078868	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+ACN+Na"	64.015768
"1725447"	481.102393	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+NH4+HCOOH"	64.039293
"1191894"	162.010251333333	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+3Na"	68.967654
"1662881"	486.057788	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Na+HCOOH"	68.994688
"162088"	911.04524	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+2K-H"	76.91904
"608208"	1328.10834	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+2K-H"	76.91904
"1089440"	493.98214	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2K-H"	76.91904
"151723"	456.026258	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"2M+2K"	77.926316
"590190"	664.557808	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"3M+2K"	77.926316
"1079076"	247.494708	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2K"	77.926316
"1113379"	495.996692	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2K+H"	78.933592
"1344296"	496.084307	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+DMSO+H"	79.021207
"1008456"	500.123476	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2ACN+H"	83.060376
"1526582"	501.117108	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+IsoProp+Na+H"	84.054008
"995220"	250.565376	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+2ACN+2H"	84.067652
"1594099"	502.031728	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+K+HCOOH"	84.968628
"1417572"	532.063238	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+H+CF3COOH"	115.000138
"1150047"	271.078651	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+3ACN+2H"	125.094202
"1708350"	549.089785	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+NH4+CF3COOH"	132.026685
"1634522"	554.04518	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+Na+CF3COOH"	136.98208
"1581839"	570.01912	"C20799"	"Grixazone B"	"C18H15N3O7S"	"417.0631"	"M+K+CF3COOH"	152.95602
"803455"	195.0895	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M"	0
"979175"	176.07111	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-H2O-H"	-19.01839
"68510"	129.052390666667	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M-3H"	-3.021828
"508069"	194.082224	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M-3H"	-3.021828
"884778"	64.0225573333333	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-3H"	-3.021828
"5539"	194.082224	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H"	-2.014552
"448382"	291.626974	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H"	-2.014552
"830557"	96.537474	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H"	-2.014552
"80710"	389.171724	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M-H"	-1.007276
"523549"	584.261224	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M-H"	-1.007276
"906457"	194.082224	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-H"	-1.007276
"58286"	406.198271	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+NH4"	16.019271
"498938"	601.287771	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+NH4"	16.019271
"876986"	211.108771	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H+NH4"	16.019271
"43183"	411.153666	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+Na"	20.974666
"479459"	606.243166	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+Na"	20.974666
"853982"	216.064166	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H+Na"	20.974666
"1622423"	216.064166	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na-2H"	20.974666
"106980"	212.070563	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M-H+Cl"	33.962126
"545811"	309.615313	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M-H+Cl"	33.962126
"936409"	114.525813	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+Cl"	33.962126
"269863"	425.148402	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Cl"	34.969402
"667390"	620.237902	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+Cl"	34.969402
"1279795"	230.058902	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl"	34.969402
"30006"	427.127606	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M-2H+K"	36.948606
"470783"	622.217106	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M-2H+K"	36.948606
"843722"	232.038106	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-2H+K"	36.948606
"1571108"	232.038106	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+K-2H"	36.948606
"955459"	240.087694	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+HCOOH"	44.998194
"374768"	435.177201	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+HCOOH-H"	44.998201
"359748"	449.192851	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Hac-H"	59.013851
"1506031"	254.103351	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Hac-H"	59.013851
"969559"	262.069651	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+NaCOOH"	66.980151
"120657"	230.058902	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2Cl"	69.938804
"561309"	327.603652	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2Cl"	69.938804
"1031204"	132.514152	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2Cl"	69.938804
"1254790"	274.008385	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Br"	78.918885
"1307764"	276.064372	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+HCOOH"	80.974872
"1329633"	298.046329	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+NaCOOH"	102.956829
"925065"	308.075086	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M-H+CF3COOH"	112.985586
"1294120"	344.051764	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Cl+CF3COOH"	148.962264
"1378479"	160.076824	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H-2H2O"	-35.012676
"1393059"	178.0868	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H-H2O"	-17.0027
"288376"	391.186276	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H"	1.007276
"686265"	586.275776	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H"	1.007276
"1359333"	196.096776	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H"	1.007276
"139880"	196.096776	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2H"	2.014552
"579077"	293.641526	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2H"	2.014552
"1051645"	98.552026	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2H"	2.014552
"219630"	131.066942666667	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+3H"	3.021828
"658744"	196.096776	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+3H"	3.021828
"1178292"	66.0371093333333	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+3H"	3.021828
"438559"	408.212823	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+NH4"	18.033823
"798461"	603.302323	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+NH4"	18.033823
"1696500"	213.123323	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+NH4"	18.033823
"344903"	204.6100495	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H+NH4"	19.041099
"738177"	302.1547995	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H+NH4"	19.041099
"1492111"	107.0652995	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+NH4"	19.041099
"405806"	413.168218	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Na"	22.989218
"768135"	608.257718	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+Na"	22.989218
"1617085"	218.078718	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na"	22.989218
"328335"	207.087747	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H+Na"	23.996494
"717355"	304.632497	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H+Na"	23.996494
"1471539"	109.542997	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+Na"	23.996494
"1062961"	73.3644233333333	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2H+Na"	25.00377
"1268649"	228.122986	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+CH3OH+H"	33.033486
"387954"	429.142158	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+K"	38.963158
"746402"	624.231658	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+K"	38.963158
"1546268"	234.052658	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+K"	38.963158
"305633"	215.074717	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+H+K"	39.970434
"699144"	312.619467	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+H+K"	39.970434
"1458070"	117.529967	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+K"	39.970434
"242660"	432.212826	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+ACN+H"	42.033826
"1217555"	237.123326	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+H"	42.033826
"1195968"	119.065301	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+2H"	43.041102
"190420"	435.15016	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2Na-H"	44.97116
"632778"	630.23966	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2Na-H"	44.97116
"1132880"	240.06066	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2Na-H"	44.97116
"176294"	218.078718	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2Na"	45.978436
"614761"	315.623468	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2Na"	45.978436
"1117173"	120.533968	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2Na"	45.978436
"1402892"	80.6917373333333	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+2Na"	46.985712
"1435008"	242.102246	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+HCOOH"	47.012746
"231268"	223.11174	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+3H2O+2H"	56.04448
"1513863"	256.15429	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+H"	61.06479
"409903"	226.065688	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+Na+K"	61.952376
"776733"	323.610438	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+Na+K"	61.952376
"1675252"	128.520938	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na+K"	61.952376
"261406"	454.194768	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+ACN+Na"	64.015768
"1236670"	259.105268	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+ACN+Na"	64.015768
"1726650"	259.128793	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+NH4+HCOOH"	64.039293
"1192004"	88.0190513333333	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+3Na"	68.967654
"1662991"	264.084188	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na+HCOOH"	68.994688
"165478"	467.09804	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2K-H"	76.91904
"605038"	662.18754	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2K-H"	76.91904
"1087363"	272.00854	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2K-H"	76.91904
"155965"	234.052658	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"2M+2K"	77.926316
"593581"	331.597408	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"3M+2K"	77.926316
"1083564"	136.507908	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2K"	77.926316
"1113493"	274.023092	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2K+H"	78.933592
"1346593"	274.110707	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+DMSO+H"	79.021207
"1020228"	278.149876	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2ACN+H"	83.060376
"1539204"	279.143508	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+IsoProp+Na+H"	84.054008
"995328"	139.578576	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+2ACN+2H"	84.067652
"1594209"	280.058128	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+K+HCOOH"	84.968628
"1416590"	310.089638	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+H+CF3COOH"	115.000138
"1149064"	160.091851	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+3ACN+2H"	125.094202
"1708460"	327.116185	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+NH4+CF3COOH"	132.026685
"1635361"	332.07158	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+Na+CF3COOH"	136.98208
"1581949"	348.04552	"C20800"	"3-Methyl-L-tyrosine"	"C10H13NO3"	"195.0895"	"M+K+CF3COOH"	152.95602
"816327"	211.0845	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M"	0
"985847"	192.06611	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-H2O-H"	-19.01839
"68621"	139.715724	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M-3H"	-3.021828
"511460"	210.077224	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M-3H"	-3.021828
"885983"	69.354224	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-3H"	-3.021828
"6746"	210.077224	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M-2H"	-2.014552
"445214"	315.619474	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M-2H"	-2.014552
"825202"	104.534974	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-2H"	-2.014552
"87380"	421.161724	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M-H"	-1.007276
"525851"	632.246224	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M-H"	-1.007276
"904744"	210.077224	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-H"	-1.007276
"56931"	438.188271	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M-2H+NH4"	16.019271
"500139"	649.272771	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M-2H+NH4"	16.019271
"877945"	227.103771	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-2H+NH4"	16.019271
"45116"	443.143666	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M-2H+Na"	20.974666
"479570"	654.228166	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M-2H+Na"	20.974666
"857372"	232.059166	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-2H+Na"	20.974666
"1621440"	232.059166	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Na-2H"	20.974666
"104538"	228.065563	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M-H+Cl"	33.962126
"544098"	333.607813	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M-H+Cl"	33.962126
"933239"	122.523313	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-H+Cl"	33.962126
"269973"	457.138402	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+Cl"	34.969402
"664220"	668.222902	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+Cl"	34.969402
"1280998"	246.053902	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Cl"	34.969402
"26470"	459.117606	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M-2H+K"	36.948606
"469312"	670.202106	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M-2H+K"	36.948606
"841644"	248.033106	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-2H+K"	36.948606
"1570970"	248.033106	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+K-2H"	36.948606
"953382"	256.082694	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-H+HCOOH"	44.998194
"373420"	467.167201	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+HCOOH-H"	44.998201
"355482"	481.182851	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+Hac-H"	59.013851
"1505411"	270.098351	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Hac-H"	59.013851
"967482"	278.064651	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-H+NaCOOH"	66.980151
"114206"	246.053902	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+2Cl"	69.938804
"557046"	351.596152	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+2Cl"	69.938804
"1033500"	140.511652	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2Cl"	69.938804
"1254171"	290.003385	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Br"	78.918885
"1305682"	292.059372	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Cl+HCOOH"	80.974872
"1331930"	314.041329	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Cl+NaCOOH"	102.956829
"921895"	324.070086	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M-H+CF3COOH"	112.985586
"1290948"	360.046764	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Cl+CF3COOH"	148.962264
"1370205"	176.071824	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H-2H2O"	-35.012676
"1384785"	194.0818	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H-H2O"	-17.0027
"289579"	423.176276	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+H"	1.007276
"680906"	634.260776	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+H"	1.007276
"1359443"	212.091776	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H"	1.007276
"136710"	212.091776	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+2H"	2.014552
"578458"	317.634026	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+2H"	2.014552
"1046163"	106.549526	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2H"	2.014552
"219180"	141.730276	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+3H"	3.021828
"658975"	212.091776	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+3H"	3.021828
"1178194"	71.368776	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+3H"	3.021828
"436117"	440.202823	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+NH4"	18.033823
"800029"	651.287323	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+NH4"	18.033823
"1694902"	229.118323	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+NH4"	18.033823
"344649"	220.6050495	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+H+NH4"	19.041099
"738046"	326.1472995	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+H+NH4"	19.041099
"1492618"	115.0627995	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H+NH4"	19.041099
"407618"	445.158218	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+Na"	22.989218
"769220"	656.242718	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+Na"	22.989218
"1617073"	234.073718	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Na"	22.989218
"328566"	223.082747	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+H+Na"	23.996494
"718193"	328.624997	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+H+Na"	23.996494
"1474199"	117.540497	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H+Na"	23.996494
"1066231"	78.69609	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2H+Na"	25.00377
"1271069"	244.117986	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+CH3OH+H"	33.033486
"391710"	461.132158	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+K"	38.963158
"745419"	672.216658	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+K"	38.963158
"1547471"	250.047658	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+K"	38.963158
"310114"	231.069717	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+H+K"	39.970434
"701441"	336.611967	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+H+K"	39.970434
"1456356"	125.527467	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H+K"	39.970434
"248236"	464.202826	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+ACN+H"	42.033826
"1220945"	253.118326	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+ACN+H"	42.033826
"1197536"	127.062801	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+ACN+2H"	43.041102
"191865"	467.14016	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+2Na-H"	44.97116
"632887"	678.22466	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+2Na-H"	44.97116
"1132503"	256.05566	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2Na-H"	44.97116
"175311"	234.073718	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+2Na"	45.978436
"615965"	339.615968	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+2Na"	45.978436
"1118377"	128.531468	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2Na"	45.978436
"1403002"	86.023404	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H+2Na"	46.985712
"1437304"	258.097246	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H+HCOOH"	47.012746
"232471"	239.10674	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+3H2O+2H"	56.04448
"1513973"	272.14929	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+IsoProp+H"	61.06479
"411471"	242.060688	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+Na+K"	61.952376
"776843"	347.602938	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+Na+K"	61.952376
"1674268"	136.518438	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Na+K"	61.952376
"260786"	486.184768	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+ACN+Na"	64.015768
"1233500"	275.100268	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+ACN+Na"	64.015768
"1725667"	275.123793	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+NH4+HCOOH"	64.039293
"1191021"	93.350718	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+3Na"	68.967654
"1657634"	280.079188	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Na+HCOOH"	68.994688
"167775"	499.08804	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+2K-H"	76.91904
"605148"	710.17254	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+2K-H"	76.91904
"1090754"	288.00354	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2K-H"	76.91904
"150850"	250.047658	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"2M+2K"	77.926316
"594785"	355.589908	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"3M+2K"	77.926316
"1081485"	144.505408	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2K"	77.926316
"1115060"	290.018092	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2K+H"	78.933592
"1349984"	290.105707	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+DMSO+H"	79.021207
"1019975"	294.144876	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2ACN+H"	83.060376
"1537734"	295.138508	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+IsoProp+Na+H"	84.054008
"994339"	147.576076	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+2ACN+2H"	84.067652
"1595412"	296.053128	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+K+HCOOH"	84.968628
"1417793"	326.084638	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+H+CF3COOH"	115.000138
"1149174"	168.089351	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+3ACN+2H"	125.094202
"1709664"	343.111185	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+NH4+CF3COOH"	132.026685
"1644221"	348.06658	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+Na+CF3COOH"	136.98208
"1582059"	364.04052	"C20801"	"3-Hydroxy-5-methyl-L-tyrosine"	"C10H13NO4"	"211.0845"	"M+K+CF3COOH"	152.95602
"805863"	147.0895	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M"	0
"987782"	128.07111	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-H2O-H"	-19.01839
"68732"	97.0523906666667	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M-3H"	-3.021828
"512664"	146.082224	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M-3H"	-3.021828
"880628"	48.0225573333333	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-3H"	-3.021828
"4670"	146.082224	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M-2H"	-2.014552
"445324"	219.626974	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M-2H"	-2.014552
"820939"	72.537474	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-2H"	-2.014552
"83118"	293.171724	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M-H"	-1.007276
"525961"	440.261224	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M-H"	-1.007276
"907041"	146.082224	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-H"	-1.007276
"55949"	310.198271	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M-2H+NH4"	16.019271
"498431"	457.287771	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M-2H+NH4"	16.019271
"876597"	163.108771	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-2H+NH4"	16.019271
"43040"	315.153666	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M-2H+Na"	20.974666
"482962"	462.243166	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M-2H+Na"	20.974666
"858576"	168.064166	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-2H+Na"	20.974666
"1619848"	168.064166	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Na-2H"	20.974666
"98087"	164.070563	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M-H+Cl"	33.962126
"536189"	237.615313	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M-H+Cl"	33.962126
"927390"	90.525813	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-H+Cl"	33.962126
"270812"	329.148402	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+Cl"	34.969402
"667611"	476.237902	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+Cl"	34.969402
"1281107"	182.058902	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Cl"	34.969402
"30960"	331.127606	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M-2H+K"	36.948606
"468692"	478.217106	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M-2H+K"	36.948606
"848204"	184.038106	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-2H+K"	36.948606
"1568893"	184.038106	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+K-2H"	36.948606
"954585"	192.087694	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-H+HCOOH"	44.998194
"372803"	339.177201	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+HCOOH-H"	44.998201
"357416"	353.192851	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+Hac-H"	59.013851
"1504062"	206.103351	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Hac-H"	59.013851
"966499"	214.069651	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-H+NaCOOH"	66.980151
"112492"	182.058902	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+2Cl"	69.938804
"554605"	255.603652	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+2Cl"	69.938804
"1031423"	108.514152	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2Cl"	69.938804
"1252823"	226.008385	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Br"	78.918885
"1305429"	228.064372	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Cl+HCOOH"	80.974872
"1332769"	250.046329	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Cl+NaCOOH"	102.956829
"915444"	260.075086	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M-H+CF3COOH"	112.985586
"1292517"	296.051764	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Cl+CF3COOH"	148.962264
"1371043"	112.076824	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H-2H2O"	-35.012676
"1388905"	130.0868	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H-H2O"	-17.0027
"284949"	295.186276	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+H"	1.007276
"678097"	442.275776	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+H"	1.007276
"1359553"	148.096776	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H"	1.007276
"136818"	148.096776	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+2H"	2.014552
"578567"	221.641526	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+2H"	2.014552
"1048459"	74.552026	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2H"	2.014552
"219879"	99.0669426666667	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+3H"	3.021828
"657016"	148.096776	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+3H"	3.021828
"1176235"	50.0371093333333	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+3H"	3.021828
"436957"	312.212823	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+NH4"	18.033823
"798681"	459.302323	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+NH4"	18.033823
"1696866"	165.123323	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+NH4"	18.033823
"342926"	156.6100495	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+H+NH4"	19.041099
"738150"	230.1547995	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+H+NH4"	19.041099
"1491719"	83.0652995	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H+NH4"	19.041099
"408176"	317.168218	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+Na"	22.989218
"769926"	464.257718	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+Na"	22.989218
"1617918"	170.078718	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Na"	22.989218
"327708"	159.087747	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+H+Na"	23.996494
"722360"	232.632497	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+H+Na"	23.996494
"1476501"	85.542997	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H+Na"	23.996494
"1065373"	57.3644233333333	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2H+Na"	25.00377
"1272274"	180.122986	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+CH3OH+H"	33.033486
"390731"	333.142158	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+K"	38.963158
"752092"	480.231658	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+K"	38.963158
"1548674"	186.052658	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+K"	38.963158
"305849"	167.074717	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+H+K"	39.970434
"698270"	240.619467	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+H+K"	39.970434
"1453184"	93.529967	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H+K"	39.970434
"238869"	336.212826	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+ACN+H"	42.033826
"1213402"	189.123326	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+ACN+H"	42.033826
"1196917"	95.065301	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+ACN+2H"	43.041102
"191610"	339.15016	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+2Na-H"	44.97116
"632628"	486.23966	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+2Na-H"	44.97116
"1133948"	192.06066	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2Na-H"	44.97116
"174926"	170.078718	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+2Na"	45.978436
"613638"	243.623468	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+2Na"	45.978436
"1116543"	96.533968	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2Na"	45.978436
"1400923"	64.6917373333333	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H+2Na"	46.985712
"1434132"	194.102246	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H+HCOOH"	47.012746
"221646"	175.11174	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+3H2O+2H"	56.04448
"1512990"	208.15429	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+IsoProp+H"	61.06479
"410488"	178.065688	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+Na+K"	61.952376
"776953"	251.610438	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+Na+K"	61.952376
"1673285"	104.520938	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Na+K"	61.952376
"258713"	358.194768	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+ACN+Na"	64.015768
"1230328"	211.105268	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+ACN+Na"	64.015768
"1723590"	211.128793	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+NH4+HCOOH"	64.039293
"1190037"	72.0190513333333	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+3Na"	68.967654
"1658837"	216.084188	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Na+HCOOH"	68.994688
"162419"	371.09804	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+2K-H"	76.91904
"605259"	518.18754	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+2K-H"	76.91904
"1093053"	224.00854	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2K-H"	76.91904
"153149"	186.052658	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"2M+2K"	77.926316
"589430"	259.597408	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"3M+2K"	77.926316
"1079410"	112.507908	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2K"	77.926316
"1112620"	226.023092	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2K+H"	78.933592
"1349004"	226.110707	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+DMSO+H"	79.021207
"1016440"	230.149876	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2ACN+H"	83.060376
"1534566"	231.143508	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+IsoProp+Na+H"	84.054008
"1002104"	115.578576	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+2ACN+2H"	84.067652
"1595514"	232.058128	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+K+HCOOH"	84.968628
"1414735"	262.089638	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+H+CF3COOH"	115.000138
"1148187"	136.091851	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+3ACN+2H"	125.094202
"1709774"	279.116185	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+NH4+CF3COOH"	132.026685
"1644331"	284.07158	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+Na+CF3COOH"	136.98208
"1582169"	300.04552	"C20802"	"(4S)-4-Hydroxy-L-isoleucine;Hydroxyisoleucine"	"C6H13NO3"	"147.0895"	"M+K+CF3COOH"	152.95602
"802692"	186.0681	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M"	0
"987892"	167.04971	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-H2O-H"	-19.01839
"73216"	123.038124	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M-3H"	-3.021828
"511681"	185.060824	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M-3H"	-3.021828
"882194"	61.015424	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-3H"	-3.021828
"8060"	185.060824	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M-2H"	-2.014552
"444341"	278.094874	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M-2H"	-2.014552
"825423"	92.026774	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-2H"	-2.014552
"88696"	371.128924	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M-H"	-1.007276
"527165"	557.197024	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M-H"	-1.007276
"907152"	185.060824	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-H"	-1.007276
"58249"	388.155471	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M-2H+NH4"	16.019271
"499272"	574.223571	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M-2H+NH4"	16.019271
"877073"	202.087371	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-2H+NH4"	16.019271
"43514"	393.110866	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M-2H+Na"	20.974666
"480886"	579.178966	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M-2H+Na"	20.974666
"857593"	207.042766	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-2H+Na"	20.974666
"1620688"	207.042766	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Na-2H"	20.974666
"94909"	203.049163	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M-H+Cl"	33.962126
"536055"	296.083213	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M-H+Cl"	33.962126
"928110"	110.015113	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-H+Cl"	33.962126
"268125"	407.105602	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+Cl"	34.969402
"668814"	593.173702	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+Cl"	34.969402
"1281946"	221.037502	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Cl"	34.969402
"31267"	409.084806	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M-2H+K"	36.948606
"468438"	595.152906	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M-2H+K"	36.948606
"848113"	223.016706	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-2H+K"	36.948606
"1570948"	223.016706	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+K-2H"	36.948606
"954695"	231.066294	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-H+HCOOH"	44.998194
"373642"	417.134401	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+HCOOH-H"	44.998201
"359712"	431.150051	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+Hac-H"	59.013851
"1504171"	245.081951	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Hac-H"	59.013851
"968800"	253.048251	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-H+NaCOOH"	66.980151
"115521"	221.037502	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+2Cl"	69.938804
"558361"	314.071552	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+2Cl"	69.938804
"1029348"	128.003452	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2Cl"	69.938804
"1253297"	264.986985	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Br"	78.918885
"1308095"	267.042972	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Cl+HCOOH"	80.974872
"1322674"	289.024929	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Cl+NaCOOH"	102.956829
"916650"	299.053686	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M-H+CF3COOH"	112.985586
"1294450"	335.030364	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Cl+CF3COOH"	148.962264
"1370426"	151.055424	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H-2H2O"	-35.012676
"1386828"	169.0654	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H-H2O"	-17.0027
"284695"	373.143476	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+H"	1.007276
"680032"	559.211576	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+H"	1.007276
"1359662"	187.075376	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H"	1.007276
"139844"	187.075376	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+2H"	2.014552
"579770"	280.109426	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+2H"	2.014552
"1051849"	94.041326	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2H"	2.014552
"219150"	125.052676	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+3H"	3.021828
"658949"	187.075376	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+3H"	3.021828
"1177320"	63.029976	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+3H"	3.021828
"435244"	390.170023	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+NH4"	18.033823
"799522"	576.238123	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+NH4"	18.033823
"1696705"	204.101923	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+NH4"	18.033823
"345226"	195.5886495	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+H+NH4"	19.041099
"738092"	288.6226995	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+H+NH4"	19.041099
"1492523"	102.5545995	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H+NH4"	19.041099
"407228"	395.125418	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+Na"	22.989218
"769560"	581.193518	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+Na"	22.989218
"1617657"	209.057318	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Na"	22.989218
"328179"	198.066347	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+H+Na"	23.996494
"721572"	291.100397	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+H+Na"	23.996494
"1473327"	105.032297	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H+Na"	23.996494
"1064384"	70.35729	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2H+Na"	25.00377
"1272424"	219.101586	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+CH3OH+H"	33.033486
"391889"	411.099358	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+K"	38.963158
"752198"	597.167458	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+K"	38.963158
"1544412"	225.031258	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+K"	38.963158
"305959"	206.053317	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+H+K"	39.970434
"699474"	299.087367	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+H+K"	39.970434
"1449285"	113.019267	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H+K"	39.970434
"238615"	414.170026	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+ACN+H"	42.033826
"1211810"	228.101926	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+ACN+H"	42.033826
"1194838"	114.554601	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+ACN+2H"	43.041102
"190262"	417.10736	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+2Na-H"	44.97116
"629214"	603.17546	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+2Na-H"	44.97116
"1132478"	231.03926	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2Na-H"	44.97116
"173623"	209.057318	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+2Na"	45.978436
"613631"	302.091368	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+2Na"	45.978436
"1117382"	116.023268	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2Na"	45.978436
"1400303"	77.684604	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H+2Na"	46.985712
"1433150"	233.080846	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H+HCOOH"	47.012746
"220893"	214.09034	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+3H2O+2H"	56.04448
"1510173"	247.13289	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+IsoProp+H"	61.06479
"414970"	217.044288	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+Na+K"	61.952376
"773781"	310.078338	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+Na+K"	61.952376
"1673395"	124.010238	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Na+K"	61.952376
"261009"	436.151968	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+ACN+Na"	64.015768
"1232624"	250.083868	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+ACN+Na"	64.015768
"1724793"	250.107393	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+NH4+HCOOH"	64.039293
"1186867"	85.011918	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+3Na"	68.967654
"1657854"	255.062788	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Na+HCOOH"	68.994688
"162529"	449.05524	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+2K-H"	76.91904
"606463"	635.12334	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+2K-H"	76.91904
"1090976"	262.98714	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2K-H"	76.91904
"151073"	225.031258	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"2M+2K"	77.926316
"589540"	318.065308	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"3M+2K"	77.926316
"1079521"	131.997208	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2K"	77.926316
"1108356"	265.001692	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2K+H"	78.933592
"1348020"	265.089307	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+DMSO+H"	79.021207
"1017644"	269.128476	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2ACN+H"	83.060376
"1533582"	270.122108	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+IsoProp+Na+H"	84.054008
"998935"	135.067876	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+2ACN+2H"	84.067652
"1595625"	271.036728	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+K+HCOOH"	84.968628
"1424564"	301.068238	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+H+CF3COOH"	115.000138
"1150484"	155.581151	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+3ACN+2H"	125.094202
"1709884"	318.094785	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+NH4+CF3COOH"	132.026685
"1644441"	323.05018	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+Na+CF3COOH"	136.98208
"1582279"	339.02412	"C20803"	"5-Methyl-1-naphthoate"	"C12H10O2"	"186.0681"	"M+K+CF3COOH"	152.95602
"812643"	204.1878	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M"	0
"988735"	185.16941	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"78300"	135.117924	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"515073"	203.180524	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"889597"	67.055324	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"8171"	203.180524	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"446637"	305.274424	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"825533"	101.086624	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"88805"	407.368324	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"528368"	611.556124	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"907262"	203.180524	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"59452"	424.394871	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"499748"	628.582671	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"877428"	220.207071	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"44719"	429.350266	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"482090"	633.538066	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"857703"	225.162466	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1621771"	225.162466	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"96240"	221.168863	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"536408"	323.262763	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"928830"	119.074963	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"267869"	443.345002	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"664550"	647.532802	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1283515"	239.157202	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"31385"	445.324206	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"467455"	649.512006	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"847775"	241.136406	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1570492"	241.136406	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"954441"	249.185994	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"376265"	453.373801	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"360718"	467.389451	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1504648"	263.201651	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"971460"	271.167951	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"118912"	239.157202	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"559565"	341.251102	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1032738"	137.063302	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254867"	283.106685	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1305774"	285.162672	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1327888"	307.144629	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"921865"	317.173386	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1294563"	353.150064	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1373817"	169.175124	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1390220"	187.1851	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"284562"	409.382876	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"681235"	613.570676	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1360866"	205.195076	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H"	1.007276
"141172"	205.195076	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"580976"	307.288976	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1052663"	103.101176	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"219132"	137.132476	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"658943"	205.195076	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1177435"	69.069876	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"437910"	426.409423	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"799998"	630.597223	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1696619"	222.221623	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345506"	213.7083495	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"738454"	315.8022495	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1491583"	111.6144495	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"408358"	431.364818	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"769557"	635.552618	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1618140"	227.177018	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"329019"	216.186047	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"720589"	318.279947	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1472347"	114.092147	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1062311"	76.39719	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1269458"	237.221286	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"390220"	447.338758	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"753809"	651.526558	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1544523"	243.150958	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+K"	38.963158
"303885"	224.173017	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"701775"	326.266917	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1451220"	122.079117	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"240185"	450.409426	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1211434"	246.221626	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1196047"	123.614451	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"191833"	453.34676	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"629004"	657.53456	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1132103"	249.15896	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"174062"	227.177018	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"613501"	329.270918	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1116032"	125.083118	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1400413"	83.724504	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1436540"	251.200546	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"222588"	232.21004	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1513206"	265.25259	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"418360"	235.163988	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"771825"	337.257888	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1671318"	133.070088	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"261119"	472.391368	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1234921"	268.203568	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1724903"	268.227093	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1192446"	91.051818	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1662337"	273.182488	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"168104"	485.29464	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"612039"	689.48244	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1095457"	281.10684	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"153368"	243.150958	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"590742"	345.244858	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1073068"	141.057058	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1106277"	283.121392	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349222"	283.209007	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1016659"	287.248176	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1538917"	288.241808	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"999043"	144.127726	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1593547"	289.156428	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1424674"	319.187938	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1148531"	164.641001	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1708902"	336.214485	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1644552"	341.16988	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1582389"	357.14382	"C20804"	"alpha-Longipinene;()-alpha-Longipinene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"802912"	202.063	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M"	0
"979725"	183.04461	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H2O-H"	-19.01839
"67967"	133.701390666667	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-3H"	-3.021828
"506431"	201.055724	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-3H"	-3.021828
"887519"	66.3470573333333	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-3H"	-3.021828
"3907"	201.055724	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H"	-2.014552
"444924"	302.087224	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H"	-2.014552
"823456"	100.024224	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H"	-2.014552
"88915"	403.118724	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-H"	-1.007276
"527385"	605.181724	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-H"	-1.007276
"904092"	201.055724	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H"	-1.007276
"58469"	420.145271	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H+NH4"	16.019271
"495843"	622.208271	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H+NH4"	16.019271
"874741"	218.082271	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H+NH4"	16.019271
"40453"	425.100666	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H+Na"	20.974666
"480010"	627.163666	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H+Na"	20.974666
"851251"	223.037666	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H+Na"	20.974666
"1618716"	223.037666	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na-2H"	20.974666
"96229"	219.044063	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-H+Cl"	33.962126
"534518"	320.075563	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-H+Cl"	33.962126
"927223"	118.012563	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+Cl"	33.962126
"267274"	439.095402	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Cl"	34.969402
"663565"	641.158402	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+Cl"	34.969402
"1279250"	237.032402	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl"	34.969402
"23994"	441.074606	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H+K"	36.948606
"464649"	643.137606	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H+K"	36.948606
"848045"	239.011606	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H+K"	36.948606
"1569221"	239.011606	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K-2H"	36.948606
"952729"	247.061194	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+HCOOH"	44.998194
"373131"	449.124201	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+HCOOH-H"	44.998201
"359202"	463.139851	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Hac-H"	59.013851
"1501474"	261.076851	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Hac-H"	59.013851
"965735"	269.043151	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+NaCOOH"	66.980151
"112818"	237.032402	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2Cl"	69.938804
"560402"	338.063902	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2Cl"	69.938804
"1031751"	136.000902	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2Cl"	69.938804
"1254246"	280.981885	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Br"	78.918885
"1311595"	283.037872	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl+HCOOH"	80.974872
"1327997"	305.019829	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl+NaCOOH"	102.956829
"916871"	315.048586	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+CF3COOH"	112.985586
"1294673"	351.025264	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl+CF3COOH"	148.962264
"1377207"	167.050324	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H-2H2O"	-35.012676
"1393610"	185.0603	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H-H2O"	-17.0027
"285644"	405.133276	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H"	1.007276
"681345"	607.196276	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H"	1.007276
"1359882"	203.070276	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H"	1.007276
"138970"	203.070276	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2H"	2.014552
"581086"	304.101776	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2H"	2.014552
"1052706"	102.038776	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2H"	2.014552
"217782"	135.715942666667	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+3H"	3.021828
"659926"	203.070276	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+3H"	3.021828
"1178029"	68.3616093333333	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+3H"	3.021828
"439475"	422.159823	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+NH4"	18.033823
"801162"	624.222823	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+NH4"	18.033823
"1696649"	220.096823	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+NH4"	18.033823
"345653"	211.5835495	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H+NH4"	19.041099
"737865"	312.6150495	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H+NH4"	19.041099
"1492713"	110.5520495	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+NH4"	19.041099
"407814"	427.115218	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Na"	22.989218
"768687"	629.178218	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+Na"	22.989218
"1617268"	225.052218	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na"	22.989218
"329496"	214.061247	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H+Na"	23.996494
"719726"	315.092747	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H+Na"	23.996494
"1472457"	113.029747	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+Na"	23.996494
"1061328"	75.6889233333333	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2H+Na"	25.00377
"1269568"	235.096486	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+CH3OH+H"	33.033486
"391423"	443.089158	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+K"	38.963158
"753148"	645.152158	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+K"	38.963158
"1547913"	241.026158	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K"	38.963158
"303994"	222.048217	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H+K"	39.970434
"700789"	323.079717	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H+K"	39.970434
"1451331"	121.016717	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+K"	39.970434
"238838"	446.159826	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+ACN+H"	42.033826
"1210448"	244.096826	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+ACN+H"	42.033826
"1194941"	122.552051	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+ACN+2H"	43.041102
"190119"	449.09716	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2Na-H"	44.97116
"629920"	651.16016	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2Na-H"	44.97116
"1131847"	247.03416	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2Na-H"	44.97116
"173025"	225.052218	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2Na"	45.978436
"612818"	326.083718	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2Na"	45.978436
"1115780"	124.020718	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2Na"	45.978436
"1401616"	83.0162373333333	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+2Na"	46.985712
"1436285"	249.075746	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+HCOOH"	47.012746
"221969"	230.08524	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+3H2O+2H"	56.04448
"1512223"	263.12779	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+IsoProp+H"	61.06479
"414097"	233.039188	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Na+K"	61.952376
"772906"	334.070688	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+Na+K"	61.952376
"1667779"	132.007688	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na+K"	61.952376
"259040"	468.141768	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+ACN+Na"	64.015768
"1236124"	266.078768	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+ACN+Na"	64.015768
"1719545"	266.102293	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+NH4+HCOOH"	64.039293
"1190367"	90.3435513333333	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+3Na"	68.967654
"1658072"	271.057688	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na+HCOOH"	68.994688
"168214"	481.04504	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2K-H"	76.91904
"611664"	683.10804	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2K-H"	76.91904
"1095569"	278.98204	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2K-H"	76.91904
"152385"	241.026158	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2K"	77.926316
"589759"	342.057658	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2K"	77.926316
"1078644"	139.994658	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2K"	77.926316
"1114041"	280.996592	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2K+H"	78.933592
"1348239"	281.084207	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+DMSO+H"	79.021207
"1018955"	285.123376	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2ACN+H"	83.060376
"1535987"	286.117008	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+IsoProp+Na+H"	84.054008
"999153"	143.065326	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2ACN+2H"	84.067652
"1594750"	287.031628	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K+HCOOH"	84.968628
"1422597"	317.063138	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+CF3COOH"	115.000138
"1152894"	163.578601	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+3ACN+2H"	125.094202
"1709012"	334.089685	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+NH4+CF3COOH"	132.026685
"1644662"	339.04508	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na+CF3COOH"	136.98208
"1582499"	355.01902	"C20805"	"3-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K+CF3COOH"	152.95602
"801601"	466.3447	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M"	0
"979835"	447.32631	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-H2O-H"	-19.01839
"68077"	309.889190666667	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M-3H"	-3.021828
"506541"	465.337424	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M-3H"	-3.021828
"885442"	154.440957333333	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-3H"	-3.021828
"3288"	465.337424	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M-2H"	-2.014552
"452325"	698.509774	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M-2H"	-2.014552
"823567"	232.165074	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-2H"	-2.014552
"85745"	931.682124	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M-H"	-1.007276
"528591"	1398.026824	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M-H"	-1.007276
"903109"	465.337424	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-H"	-1.007276
"57121"	948.708671	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M-2H+NH4"	16.019271
"494860"	1415.053371	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M-2H+NH4"	16.019271
"873756"	482.363971	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-2H+NH4"	16.019271
"40564"	953.664066	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M-2H+Na"	20.974666
"471856"	1420.008766	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M-2H+Na"	20.974666
"848604"	487.319366	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-2H+Na"	20.974666
"1618496"	487.319366	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Na-2H"	20.974666
"94594"	483.325763	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M-H+Cl"	33.962126
"534351"	716.498113	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M-H+Cl"	33.962126
"927951"	250.153413	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-H+Cl"	33.962126
"267639"	967.658802	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+Cl"	34.969402
"663675"	1434.003502	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+Cl"	34.969402
"1283735"	501.314102	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Cl"	34.969402
"20824"	969.638006	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M-2H+K"	36.948606
"462571"	1435.982706	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M-2H+K"	36.948606
"846572"	503.293306	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-2H+K"	36.948606
"1564955"	503.293306	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+K-2H"	36.948606
"951746"	511.342894	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-H+HCOOH"	44.998194
"369962"	977.687601	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+HCOOH-H"	44.998201
"358220"	991.703251	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+Hac-H"	59.013851
"1500492"	525.358551	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Hac-H"	59.013851
"963659"	533.324851	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-H+NaCOOH"	66.980151
"112928"	501.314102	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+2Cl"	69.938804
"555407"	734.486452	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+2Cl"	69.938804
"1029675"	268.141752	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2Cl"	69.938804
"1252533"	545.263585	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Br"	78.918885
"1313892"	547.319572	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Cl+HCOOH"	80.974872
"1328107"	569.301529	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Cl+NaCOOH"	102.956829
"916981"	579.330286	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M-H+CF3COOH"	112.985586
"1298063"	615.306964	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Cl+CF3COOH"	148.962264
"1375130"	431.332024	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H-2H2O"	-35.012676
"1397000"	449.342	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H-H2O"	-17.0027
"286847"	933.696676	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+H"	1.007276
"680361"	1400.041376	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+H"	1.007276
"1357806"	467.351976	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H"	1.007276
"135071"	467.351976	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+2H"	2.014552
"579006"	700.524326	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+2H"	2.014552
"1052670"	234.179626	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2H"	2.014552
"217892"	311.903742666667	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+3H"	3.021828
"659240"	467.351976	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+3H"	3.021828
"1177529"	156.455509333333	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+3H"	3.021828
"437762"	950.723223	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+NH4"	18.033823
"800826"	1417.067923	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+NH4"	18.033823
"1696836"	484.378523	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+NH4"	18.033823
"345070"	475.8652495	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+H+NH4"	19.041099
"737854"	709.0375995	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+H+NH4"	19.041099
"1491795"	242.6928995	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H+NH4"	19.041099
"407559"	955.678618	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+Na"	22.989218
"769041"	1422.023318	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+Na"	22.989218
"1617869"	489.333918	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Na"	22.989218
"328755"	478.342947	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+H+Na"	23.996494
"717649"	711.515297	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+H+Na"	23.996494
"1468192"	245.170597	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H+Na"	23.996494
"1062531"	163.782823333333	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2H+Na"	25.00377
"1267489"	499.378186	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+CH3OH+H"	33.033486
"388252"	971.652558	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+K"	38.963158
"748155"	1437.997258	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+K"	38.963158
"1543651"	505.307858	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+K"	38.963158
"300825"	486.329917	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+H+K"	39.970434
"696528"	719.502267	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+H+K"	39.970434
"1451442"	253.157567	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H+K"	39.970434
"241135"	974.723226	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+ACN+H"	42.033826
"1210235"	508.378526	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+ACN+H"	42.033826
"1195049"	254.692901	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+ACN+2H"	43.041102
"189178"	977.66056	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+2Na-H"	44.97116
"628899"	1444.00526	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+2Na-H"	44.97116
"1132563"	511.31586	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2Na-H"	44.97116
"173104"	489.333918	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+2Na"	45.978436
"613190"	722.506268	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+2Na"	45.978436
"1116863"	256.161568	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2Na"	45.978436
"1399903"	171.110137333333	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H+2Na"	46.985712
"1432751"	513.357446	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H+HCOOH"	47.012746
"220497"	494.36694	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+3H2O+2H"	56.04448
"1511240"	527.40949	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+IsoProp+H"	61.06479
"415301"	497.320888	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+Na+K"	61.952376
"773381"	730.493238	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+Na+K"	61.952376
"1670442"	264.148538	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Na+K"	61.952376
"256964"	996.705168	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+ACN+Na"	64.015768
"1234046"	530.360468	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+ACN+Na"	64.015768
"1719655"	530.383993	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+NH4+HCOOH"	64.039293
"1187195"	178.437451333333	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+3Na"	68.967654
"1657089"	535.339388	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Na+HCOOH"	68.994688
"171606"	1009.60844	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+2K-H"	76.91904
"611165"	1475.95314	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+2K-H"	76.91904
"1096773"	543.26374	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2K-H"	76.91904
"154560"	505.307858	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"2M+2K"	77.926316
"592056"	738.480208	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"3M+2K"	77.926316
"1077661"	272.135508	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2K"	77.926316
"1114151"	545.278292	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2K+H"	78.933592
"1349442"	545.365907	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+DMSO+H"	79.021207
"1019066"	549.405076	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2ACN+H"	83.060376
"1535005"	550.398708	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+IsoProp+Na+H"	84.054008
"999263"	275.206176	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+2ACN+2H"	84.067652
"1597046"	551.313328	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+K+HCOOH"	84.968628
"1421614"	581.344838	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+H+CF3COOH"	115.000138
"1149714"	295.719451	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+3ACN+2H"	125.094202
"1711309"	598.371385	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+NH4+CF3COOH"	132.026685
"1644772"	603.32678	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+Na+CF3COOH"	136.98208
"1582609"	619.30072	"C20806"	"omega-Hydroxyphylloquinone"	"C31H46O3"	"466.3447"	"M+K+CF3COOH"	152.95602
"803131"	181.0739	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M"	0
"979945"	162.05551	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H2O-H"	-19.01839
"66000"	119.708657333333	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-3H"	-3.021828
"509933"	180.066624	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-3H"	-3.021828
"885552"	59.3506906666667	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-3H"	-3.021828
"10688"	180.066624	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H"	-2.014552
"449155"	270.603574	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H"	-2.014552
"824773"	89.529674	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H"	-2.014552
"89142"	361.140524	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-H"	-1.007276
"527608"	542.214424	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-H"	-1.007276
"901036"	180.066624	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H"	-1.007276
"51037"	378.167071	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+NH4"	16.019271
"494971"	559.240971	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+NH4"	16.019271
"873865"	197.093171	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+NH4"	16.019271
"40675"	383.122466	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+Na"	20.974666
"474763"	564.196366	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+Na"	20.974666
"851472"	202.048566	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+Na"	20.974666
"1619012"	202.048566	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na-2H"	20.974666
"95225"	198.054963	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-H+Cl"	33.962126
"534913"	288.591913	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-H+Cl"	33.962126
"927449"	107.518013	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+Cl"	33.962126
"267458"	397.117202	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Cl"	34.969402
"661960"	578.191102	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Cl"	34.969402
"1275823"	216.043302	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl"	34.969402
"22755"	399.096406	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M-2H+K"	36.948606
"469245"	580.170306	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M-2H+K"	36.948606
"838297"	218.022506	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-2H+K"	36.948606
"1563973"	218.022506	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K-2H"	36.948606
"950765"	226.072094	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+HCOOH"	44.998194
"368980"	407.146001	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+HCOOH-H"	44.998201
"349583"	421.161651	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Hac-H"	59.013851
"1497322"	240.087751	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Hac-H"	59.013851
"961215"	248.054051	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+NaCOOH"	66.980151
"114133"	216.043302	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Cl"	69.938804
"556608"	306.580252	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Cl"	69.938804
"1025769"	125.506352	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Cl"	69.938804
"1245348"	259.992785	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Br"	78.918885
"1314002"	262.048772	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+HCOOH"	80.974872
"1331498"	284.030729	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+NaCOOH"	102.956829
"915267"	294.059486	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M-H+CF3COOH"	112.985586
"1298173"	330.036164	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Cl+CF3COOH"	148.962264
"1371958"	146.061224	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H-2H2O"	-35.012676
"1393829"	164.0712	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H-H2O"	-17.0027
"288050"	363.155076	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H"	1.007276
"683751"	544.228976	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H"	1.007276
"1360102"	182.081176	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H"	1.007276
"138459"	182.081176	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2H"	2.014552
"578024"	272.618126	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2H"	2.014552
"1052254"	91.544226	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2H"	2.014552
"218739"	121.723209333333	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+3H"	3.021828
"658658"	182.081176	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+3H"	3.021828
"1177839"	61.3652426666667	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+3H"	3.021828
"438237"	380.181623	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+NH4"	18.033823
"799597"	561.255523	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+NH4"	18.033823
"1695198"	199.107723	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4"	18.033823
"344814"	190.5944495	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+NH4"	19.041099
"738335"	281.1313995	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+NH4"	19.041099
"1492357"	100.0574995	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+NH4"	19.041099
"407792"	385.137018	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Na"	22.989218
"769884"	566.210918	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Na"	22.989218
"1618062"	204.063118	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na"	22.989218
"326432"	193.072147	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+Na"	23.996494
"722132"	283.609097	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+Na"	23.996494
"1472675"	102.535197	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+Na"	23.996494
"1061546"	68.6925566666667	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2H+Na"	25.00377
"1269788"	214.107386	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+CH3OH+H"	33.033486
"391969"	401.110958	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+K"	38.963158
"748272"	582.184858	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+K"	38.963158
"1545948"	220.037058	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K"	38.963158
"303123"	201.059117	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+H+K"	39.970434
"699918"	291.596067	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+H+K"	39.970434
"1446813"	110.522167	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+K"	39.970434
"238332"	404.181626	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+ACN+H"	42.033826
"1211160"	223.107726	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+H"	42.033826
"1196744"	112.057501	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+2H"	43.041102
"189491"	407.11896	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Na-H"	44.97116
"631360"	588.19286	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Na-H"	44.97116
"1133773"	226.04506	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Na-H"	44.97116
"174271"	204.063118	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2Na"	45.978436
"613467"	294.600068	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2Na"	45.978436
"1118676"	113.526168	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2Na"	45.978436
"1398950"	76.0198706666667	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+2Na"	46.985712
"1430173"	228.086646	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+HCOOH"	47.012746
"226566"	209.09614	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+3H2O+2H"	56.04448
"1511712"	242.13869	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+IsoProp+H"	61.06479
"416506"	212.050088	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+Na+K"	61.952376
"775316"	302.587038	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+Na+K"	61.952376
"1669458"	121.513138	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+K"	61.952376
"261446"	426.163568	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+ACN+Na"	64.015768
"1239625"	245.089668	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+ACN+Na"	64.015768
"1726325"	245.113193	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4+HCOOH"	64.039293
"1191680"	83.3471846666667	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+3Na"	68.967654
"1663400"	250.068588	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+HCOOH"	68.994688
"171231"	439.06684	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2K-H"	76.91904
"607633"	620.14074	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2K-H"	76.91904
"1090322"	257.99294	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K-H"	76.91904
"155157"	220.037058	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"2M+2K"	77.926316
"595081"	310.574008	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"3M+2K"	77.926316
"1078864"	129.500108	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K"	77.926316
"1113898"	260.007492	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2K+H"	78.933592
"1348098"	260.095107	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+DMSO+H"	79.021207
"1019177"	264.134276	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2ACN+H"	83.060376
"1538393"	265.127908	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+IsoProp+Na+H"	84.054008
"1003382"	132.570776	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+2ACN+2H"	84.067652
"1594971"	266.042528	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K+HCOOH"	84.968628
"1422817"	296.074038	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+H+CF3COOH"	115.000138
"1149825"	153.084051	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+3ACN+2H"	125.094202
"1700480"	313.100585	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+NH4+CF3COOH"	132.026685
"1644882"	318.05598	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+Na+CF3COOH"	136.98208
"1582719"	334.02992	"C20807"	"3-Hydroxy-L-phenylalanine;3-Tyrosine"	"C9H11NO3"	"181.0739"	"M+K+CF3COOH"	152.95602
"805428"	83.0735	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M"	0
"982241"	64.05511	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-H2O-H"	-19.01839
"67202"	54.3750573333333	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M-3H"	-3.021828
"512229"	82.066224	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M-3H"	-3.021828
"890036"	26.6838906666667	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-3H"	-3.021828
"5330"	82.066224	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M-2H"	-2.014552
"449265"	123.602974	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M-2H"	-2.014552
"827070"	40.529474	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-2H"	-2.014552
"90346"	165.139724	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M-H"	-1.007276
"525530"	248.213224	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M-H"	-1.007276
"901145"	82.066224	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-H"	-1.007276
"55521"	182.166271	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M-2H+NH4"	16.019271
"497267"	265.239771	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M-2H+NH4"	16.019271
"869600"	99.092771	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-2H+NH4"	16.019271
"40782"	187.121666	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M-2H+Na"	20.974666
"477059"	270.195166	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M-2H+Na"	20.974666
"849303"	104.048166	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-2H+Na"	20.974666
"1618999"	104.048166	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Na-2H"	20.974666
"95577"	100.054563	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M-H+Cl"	33.962126
"539397"	141.591313	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M-H+Cl"	33.962126
"928537"	58.517813	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-H+Cl"	33.962126
"270011"	201.116402	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+Cl"	34.969402
"662434"	284.189902	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+Cl"	34.969402
"1279214"	118.042902	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Cl"	34.969402
"22135"	203.095606	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M-2H+K"	36.948606
"469355"	286.169106	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M-2H+K"	36.948606
"843876"	120.022106	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-2H+K"	36.948606
"1565176"	120.022106	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+K-2H"	36.948606
"949781"	128.071694	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-H+HCOOH"	44.998194
"371278"	211.145201	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+HCOOH-H"	44.998201
"355161"	225.160851	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+Hac-H"	59.013851
"1500712"	142.087351	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Hac-H"	59.013851
"966065"	150.053651	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-H+NaCOOH"	66.980151
"114241"	118.042902	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+2Cl"	69.938804
"556720"	159.579652	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+2Cl"	69.938804
"1033175"	76.506152	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2Cl"	69.938804
"1243998"	161.992385	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Br"	78.918885
"1316299"	164.048372	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Cl+HCOOH"	80.974872
"1331607"	186.030329	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Cl+NaCOOH"	102.956829
"917199"	196.059086	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M-H+CF3COOH"	112.985586
"1296095"	232.035764	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Cl+CF3COOH"	148.962264
"1375351"	48.060824	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H-2H2O"	-35.012676
"1392845"	66.0708	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H-H2O"	-17.0027
"287065"	167.154276	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+H"	1.007276
"689330"	250.227776	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+H"	1.007276
"1366857"	84.080776	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H"	1.007276
"139664"	84.080776	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+2H"	2.014552
"580929"	125.617526	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+2H"	2.014552
"1050949"	42.544026	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2H"	2.014552
"219214"	56.3896093333333	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+3H"	3.021828
"658410"	84.080776	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+3H"	3.021828
"1177625"	28.6984426666667	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+3H"	3.021828
"437985"	184.180823	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+NH4"	18.033823
"801359"	267.254323	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+NH4"	18.033823
"1696969"	101.107323	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+NH4"	18.033823
"345252"	92.5940495	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+H+NH4"	19.041099
"738249"	134.1307995	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+H+NH4"	19.041099
"1492627"	51.0572995	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H+NH4"	19.041099
"408143"	189.136218	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+Na"	22.989218
"769670"	272.209718	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+Na"	22.989218
"1616506"	106.062718	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Na"	22.989218
"323263"	95.071747	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+H+Na"	23.996494
"720056"	136.608497	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+H+Na"	23.996494
"1472785"	53.534997	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H+Na"	23.996494
"1062749"	36.0257566666667	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2H+Na"	25.00377
"1264429"	116.106986	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+CH3OH+H"	33.033486
"385192"	205.110158	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+K"	38.963158
"751656"	288.183658	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+K"	38.963158
"1547150"	122.036658	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+K"	38.963158
"307607"	103.058717	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+H+K"	39.970434
"700028"	144.595467	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+H+K"	39.970434
"1449475"	61.521967	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H+K"	39.970434
"241355"	208.180826	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+ACN+H"	42.033826
"1214064"	125.107326	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+ACN+H"	42.033826
"1194282"	63.057301	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+ACN+2H"	43.041102
"189359"	211.11816	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+2Na-H"	44.97116
"632197"	294.19166	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+2Na-H"	44.97116
"1132426"	128.04466	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2Na-H"	44.97116
"173526"	106.062718	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+2Na"	45.978436
"613206"	147.599468	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+2Na"	45.978436
"1119880"	64.525968	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2Na"	45.978436
"1398469"	43.3530706666667	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H+2Na"	46.985712
"1430284"	130.086246	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H+HCOOH"	47.012746
"222300"	111.09574	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+3H2O+2H"	56.04448
"1511822"	144.13829	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+IsoProp+H"	61.06479
"418803"	114.049688	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+Na+K"	61.952376
"774333"	155.586438	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+Na+K"	61.952376
"1669568"	72.512938	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Na+K"	61.952376
"260463"	230.162768	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+ACN+Na"	64.015768
"1235360"	147.089268	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+ACN+Na"	64.015768
"1726435"	147.112793	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+NH4+HCOOH"	64.039293
"1191789"	50.6803846666667	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+3Na"	68.967654
"1663871"	152.068188	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Na+HCOOH"	68.994688
"170004"	243.06604	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+2K-H"	76.91904
"609929"	326.13954	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+2K-H"	76.91904
"1092619"	159.99254	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2K-H"	76.91904
"155874"	122.036658	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"2M+2K"	77.926316
"596409"	163.573408	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"3M+2K"	77.926316
"1081161"	80.499908	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2K"	77.926316
"1113276"	162.007092	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2K+H"	78.933592
"1348568"	162.094707	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+DMSO+H"	79.021207
"1018193"	166.133876	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2ACN+H"	83.060376
"1535224"	167.127508	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+IsoProp+Na+H"	84.054008
"1002764"	83.570576	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+2ACN+2H"	84.067652
"1595081"	168.042128	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+K+HCOOH"	84.968628
"1418553"	198.073638	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+H+CF3COOH"	115.000138
"1152122"	104.083851	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+3ACN+2H"	125.094202
"1700590"	215.100185	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+NH4+CF3COOH"	132.026685
"1647908"	220.05558	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+Na+CF3COOH"	136.98208
"1582829"	236.02952	"C20808"	"2-Methyl-1-pyrroline"	"C5H9N"	"83.0735"	"M+K+CF3COOH"	152.95602
"801440"	85.0891	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M"	0
"980165"	66.07071	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-H2O-H"	-19.01839
"63668"	55.7187906666667	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M-3H"	-3.021828
"510153"	84.081824	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M-3H"	-3.021828
"891239"	27.3557573333333	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-3H"	-3.021828
"5440"	84.081824	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M-2H"	-2.014552
"449375"	126.626374	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M-2H"	-2.014552
"828273"	41.537274	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-2H"	-2.014552
"89363"	169.170924	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M-H"	-1.007276
"525640"	254.260024	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M-H"	-1.007276
"901255"	84.081824	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-H"	-1.007276
"55631"	186.197471	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M-2H+NH4"	16.019271
"497377"	271.286571	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M-2H+NH4"	16.019271
"872991"	101.108371	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-2H+NH4"	16.019271
"41986"	191.152866	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M-2H+Na"	20.974666
"480449"	276.241966	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M-2H+Na"	20.974666
"849017"	106.063766	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-2H+Na"	20.974666
"1618524"	106.063766	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Na-2H"	20.974666
"95933"	102.070163	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M-H+Cl"	33.962126
"540601"	144.614713	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M-H+Cl"	33.962126
"928282"	59.525613	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-H+Cl"	33.962126
"269757"	205.147602	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+Cl"	34.969402
"664367"	290.236702	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+Cl"	34.969402
"1277504"	120.058502	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Cl"	34.969402
"21153"	207.126806	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M-2H+K"	36.948606
"469465"	292.215906	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M-2H+K"	36.948606
"843986"	122.037706	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-2H+K"	36.948606
"1565285"	122.037706	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+K-2H"	36.948606
"950984"	130.087294	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-H+HCOOH"	44.998194
"370295"	215.176401	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+HCOOH-H"	44.998201
"354178"	229.192051	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+Hac-H"	59.013851
"1498636"	144.102951	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Hac-H"	59.013851
"963989"	152.069251	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-H+NaCOOH"	66.980151
"112892"	120.058502	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+2Cl"	69.938804
"553549"	162.603052	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+2Cl"	69.938804
"1027818"	77.513952	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2Cl"	69.938804
"1250676"	164.007985	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Br"	78.918885
"1313129"	166.063972	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Cl+HCOOH"	80.974872
"1327346"	188.045929	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Cl+NaCOOH"	102.956829
"917309"	198.074686	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M-H+CF3COOH"	112.985586
"1295112"	234.051364	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Cl+CF3COOH"	148.962264
"1374368"	50.076424	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H-2H2O"	-35.012676
"1391862"	68.0864	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H-H2O"	-17.0027
"284623"	171.185476	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+H"	1.007276
"683973"	256.274576	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+H"	1.007276
"1362510"	86.096376	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H"	1.007276
"140746"	86.096376	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+2H"	2.014552
"580918"	128.640926	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+2H"	2.014552
"1052151"	43.551826	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2H"	2.014552
"218954"	57.7333426666667	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+3H"	3.021828
"659248"	86.096376	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+3H"	3.021828
"1177858"	29.3703093333333	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+3H"	3.021828
"439189"	188.212023	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+NH4"	18.033823
"801310"	273.301123	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+NH4"	18.033823
"1696639"	103.122923	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+NH4"	18.033823
"345668"	94.6096495	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+H+NH4"	19.041099
"738382"	137.1541995	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+H+NH4"	19.041099
"1491763"	52.0650995	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H+NH4"	19.041099
"407525"	193.167418	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+Na"	22.989218
"769250"	278.256518	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+Na"	22.989218
"1616616"	108.078318	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Na"	22.989218
"324466"	97.087347	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+H+Na"	23.996494
"719073"	139.631897	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+H+Na"	23.996494
"1472895"	54.542797	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H+Na"	23.996494
"1062859"	36.6976233333333	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2H+Na"	25.00377
"1264539"	118.122586	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+CH3OH+H"	33.033486
"382021"	209.141358	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+K"	38.963158
"749580"	294.230458	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+K"	38.963158
"1547260"	124.052258	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+K"	38.963158
"304437"	105.074317	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+H+K"	39.970434
"695764"	147.618867	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+H+K"	39.970434
"1448492"	62.529767	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H+K"	39.970434
"241465"	212.212026	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+ACN+H"	42.033826
"1211987"	127.122926	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+ACN+H"	42.033826
"1194446"	64.065101	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+ACN+2H"	43.041102
"189590"	215.14936	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+2Na-H"	44.97116
"630607"	300.23846	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+2Na-H"	44.97116
"1133993"	130.06026	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2Na-H"	44.97116
"175459"	108.078318	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+2Na"	45.978436
"612988"	150.622868	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+2Na"	45.978436
"1115684"	65.533768	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2Na"	45.978436
"1398888"	44.0249373333333	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H+2Na"	46.985712
"1431614"	132.101846	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H+HCOOH"	47.012746
"223504"	113.11134	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+3H2O+2H"	56.04448
"1512296"	146.15389	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+IsoProp+H"	61.06479
"415633"	116.065288	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+Na+K"	61.952376
"773714"	158.609838	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+Na+K"	61.952376
"1668585"	73.520738	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Na+K"	61.952376
"256564"	234.193968	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+ACN+Na"	64.015768
"1235470"	149.104868	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+ACN+Na"	64.015768
"1725452"	149.128393	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+NH4+HCOOH"	64.039293
"1190806"	51.3522513333333	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+3Na"	68.967654
"1663978"	154.083788	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Na+HCOOH"	68.994688
"168655"	247.09724	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+2K-H"	76.91904
"610403"	332.18634	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+2K-H"	76.91904
"1092729"	162.00814	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2K-H"	76.91904
"155984"	124.052258	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"2M+2K"	77.926316
"596882"	166.596808	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"3M+2K"	77.926316
"1080178"	81.507708	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2K"	77.926316
"1113386"	164.022692	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2K+H"	78.933592
"1347584"	164.110307	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+DMSO+H"	79.021207
"1019397"	168.149476	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2ACN+H"	83.060376
"1537521"	169.143108	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+IsoProp+Na+H"	84.054008
"999594"	84.578376	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+2ACN+2H"	84.067652
"1595191"	170.057728	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+K+HCOOH"	84.968628
"1420851"	200.089238	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+H+CF3COOH"	115.000138
"1152232"	105.091651	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+3ACN+2H"	125.094202
"1700700"	217.115785	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+NH4+CF3COOH"	132.026685
"1647289"	222.07118	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+Na+CF3COOH"	136.98208
"1582939"	238.04512	"C20809"	"(R)-2-Methylpyrrolidine"	"C5H11N"	"85.0891"	"M+K+CF3COOH"	152.95602
"803463"	204.1878	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M"	0
"974472"	185.16941	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H2O-H"	-19.01839
"63412"	135.117924	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-3H"	-3.021828
"516829"	203.180524	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-3H"	-3.021828
"892444"	67.055324	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-3H"	-3.021828
"12113"	203.180524	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H"	-2.014552
"452767"	305.274424	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H"	-2.014552
"828385"	101.086624	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H"	-2.014552
"89474"	407.368324	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-H"	-1.007276
"527937"	611.556124	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-H"	-1.007276
"903552"	203.180524	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H"	-1.007276
"54647"	424.394871	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+NH4"	16.019271
"492020"	628.582671	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+NH4"	16.019271
"866542"	220.207071	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+NH4"	16.019271
"32006"	429.350266	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+Na"	20.974666
"471477"	633.538066	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+Na"	20.974666
"848555"	225.162466	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+Na"	20.974666
"1619152"	225.162466	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na-2H"	20.974666
"94392"	221.168863	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-H+Cl"	33.962126
"534430"	323.262763	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-H+Cl"	33.962126
"930947"	119.074963	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+Cl"	33.962126
"277163"	443.345002	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Cl"	34.969402
"667397"	647.532802	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Cl"	34.969402
"1281988"	239.157202	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl"	34.969402
"25640"	445.324206	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M-2H+K"	36.948606
"469575"	649.512006	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M-2H+K"	36.948606
"844096"	241.136406	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-2H+K"	36.948606
"1564303"	241.136406	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K-2H"	36.948606
"953277"	249.185994	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+HCOOH"	44.998194
"370399"	453.373801	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+HCOOH-H"	44.998201
"353192"	467.389451	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Hac-H"	59.013851
"1499834"	263.201651	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Hac-H"	59.013851
"965191"	271.167951	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+NaCOOH"	66.980151
"116284"	239.157202	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Cl"	69.938804
"554752"	341.251102	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Cl"	69.938804
"1025736"	137.063302	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Cl"	69.938804
"1254070"	283.106685	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Br"	78.918885
"1315425"	285.162672	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+HCOOH"	80.974872
"1325270"	307.144629	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+NaCOOH"	102.956829
"913409"	317.173386	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M-H+CF3COOH"	112.985586
"1298501"	353.150064	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Cl+CF3COOH"	148.962264
"1370103"	169.175124	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H-2H2O"	-35.012676
"1394159"	187.1851	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H-H2O"	-17.0027
"290569"	409.382876	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H"	1.007276
"682992"	613.570676	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H"	1.007276
"1362619"	205.195076	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H"	1.007276
"137697"	205.195076	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2H"	2.014552
"580909"	307.288976	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2H"	2.014552
"1052140"	103.101176	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2H"	2.014552
"219065"	137.132476	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+3H"	3.021828
"659362"	205.195076	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+3H"	3.021828
"1177603"	69.069876	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3H"	3.021828
"438207"	426.409423	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+NH4"	18.033823
"800291"	630.597223	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+NH4"	18.033823
"1696016"	222.221623	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4"	18.033823
"345654"	213.7083495	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+NH4"	19.041099
"737326"	315.8022495	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+NH4"	19.041099
"1492241"	111.6144495	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+NH4"	19.041099
"407881"	431.364818	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Na"	22.989218
"769359"	635.552618	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Na"	22.989218
"1616604"	227.177018	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na"	22.989218
"320202"	216.186047	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+Na"	23.996494
"713718"	318.279947	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+Na"	23.996494
"1468633"	114.092147	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+Na"	23.996494
"1064065"	76.39719	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2H+Na"	25.00377
"1267931"	237.221286	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+CH3OH+H"	33.033486
"383226"	447.338758	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+K"	38.963158
"750786"	651.526558	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+K"	38.963158
"1547370"	243.150958	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K"	38.963158
"304546"	224.173017	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+H+K"	39.970434
"700248"	326.266917	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+H+K"	39.970434
"1454068"	122.079117	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+K"	39.970434
"241574"	450.409426	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+H"	42.033826
"1210516"	246.221626	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+H"	42.033826
"1194600"	123.614451	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+2H"	43.041102
"189702"	453.34676	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na-H"	44.97116
"629140"	657.53456	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na-H"	44.97116
"1131544"	249.15896	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Na-H"	44.97116
"173218"	227.177018	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2Na"	45.978436
"613185"	329.270918	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2Na"	45.978436
"1115996"	125.083118	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2Na"	45.978436
"1398584"	83.724504	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+2Na"	46.985712
"1431731"	251.200546	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+HCOOH"	47.012746
"227993"	232.21004	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+3H2O+2H"	56.04448
"1516055"	265.25259	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+H"	61.06479
"417930"	235.163988	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+Na+K"	61.952376
"784392"	337.257888	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+Na+K"	61.952376
"1678537"	133.070088	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+K"	61.952376
"259588"	472.391368	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+ACN+Na"	64.015768
"1234485"	268.203568	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+ACN+Na"	64.015768
"1721186"	268.227093	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+HCOOH"	64.039293
"1190914"	91.051818	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3Na"	68.967654
"1659715"	273.182488	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+HCOOH"	68.994688
"167669"	485.29464	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2K-H"	76.91904
"609422"	689.48244	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2K-H"	76.91904
"1096120"	281.10684	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K-H"	76.91904
"155854"	243.150958	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"2M+2K"	77.926316
"596142"	345.244858	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"3M+2K"	77.926316
"1082352"	141.057058	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K"	77.926316
"1110216"	283.121392	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2K+H"	78.933592
"1349882"	283.209007	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+DMSO+H"	79.021207
"1019505"	287.248176	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+H"	83.060376
"1531069"	288.241808	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+IsoProp+Na+H"	84.054008
"995331"	144.127726	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+2ACN+2H"	84.067652
"1590926"	289.156428	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K+HCOOH"	84.968628
"1423147"	319.187938	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+H+CF3COOH"	115.000138
"1156727"	164.641001	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+3ACN+2H"	125.094202
"1704094"	336.214485	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+NH4+CF3COOH"	132.026685
"1641932"	341.16988	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+Na+CF3COOH"	136.98208
"1576489"	357.14382	"C20811"	"(-)-exo-alpha-Bergamotene;trans-alpha-Bergamotene"	"C15H24"	"204.1878"	"M+K+CF3COOH"	152.95602
"801828"	457.1883	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M"	0
"975036"	438.16991	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-H2O-H"	-19.01839
"65344"	303.784924	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M-3H"	-3.021828
"517549"	456.181024	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M-3H"	-3.021828
"892554"	151.388824	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-3H"	-3.021828
"11130"	456.181024	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M-2H"	-2.014552
"451785"	684.775174	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M-2H"	-2.014552
"828495"	227.586874	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-2H"	-2.014552
"85208"	913.369324	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M-H"	-1.007276
"525862"	1370.557624	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M-H"	-1.007276
"904757"	456.181024	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-H"	-1.007276
"52570"	930.395871	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M-2H+NH4"	16.019271
"496504"	1387.584171	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M-2H+NH4"	16.019271
"865922"	473.207571	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-2H+NH4"	16.019271
"36736"	935.351266	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M-2H+Na"	20.974666
"473017"	1392.539566	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M-2H+Na"	20.974666
"848980"	478.162966	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-2H+Na"	20.974666
"1619262"	478.162966	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Na-2H"	20.974666
"94602"	474.169363	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M-H+Cl"	33.962126
"536446"	702.763513	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M-H+Cl"	33.962126
"934335"	245.575213	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-H+Cl"	33.962126
"271440"	949.346002	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+Cl"	34.969402
"662766"	1406.534302	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+Cl"	34.969402
"1276991"	492.157702	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Cl"	34.969402
"21373"	951.325206	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M-2H+K"	36.948606
"463122"	1408.513506	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M-2H+K"	36.948606
"843109"	494.136906	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-2H+K"	36.948606
"1568786"	494.136906	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+K-2H"	36.948606
"953387"	502.186494	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-H+HCOOH"	44.998194
"367228"	959.374801	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+HCOOH-H"	44.998201
"355487"	973.390451	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+Hac-H"	59.013851
"1496663"	516.202151	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Hac-H"	59.013851
"964205"	524.168451	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-H+NaCOOH"	66.980151
"117489"	492.157702	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+2Cl"	69.938804
"552675"	720.751852	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+2Cl"	69.938804
"1024754"	263.563552	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2Cl"	69.938804
"1243600"	536.107185	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Br"	78.918885
"1306411"	538.163172	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Cl+HCOOH"	80.974872
"1329751"	560.145129	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Cl+NaCOOH"	102.956829
"917528"	570.173886	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M-H+CF3COOH"	112.985586
"1295331"	606.150564	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Cl+CF3COOH"	148.962264
"1374584"	422.175624	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H-2H2O"	-35.012676
"1383049"	440.1856	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H-H2O"	-17.0027
"295053"	915.383876	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+H"	1.007276
"679819"	1372.572176	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+H"	1.007276
"1358354"	458.195576	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H"	1.007276
"134526"	458.195576	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+2H"	2.014552
"579193"	686.789726	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+2H"	2.014552
"1051519"	229.601426	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2H"	2.014552
"218572"	305.799476	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+3H"	3.021828
"659221"	458.195576	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+3H"	3.021828
"1177110"	153.403376	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+3H"	3.021828
"439171"	932.410423	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+NH4"	18.033823
"799795"	1389.598723	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+NH4"	18.033823
"1695398"	475.222123	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+NH4"	18.033823
"345020"	466.7088495	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+H+NH4"	19.041099
"737923"	695.3029995	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+H+NH4"	19.041099
"1490529"	238.1146995	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H+NH4"	19.041099
"407504"	937.365818	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+Na"	22.989218
"768985"	1394.554118	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+Na"	22.989218
"1617815"	480.177518	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Na"	22.989218
"321406"	469.186547	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+H+Na"	23.996494
"714922"	697.780697	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+H+Na"	23.996494
"1467650"	240.592397	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H+Na"	23.996494
"1064175"	160.73069	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2H+Na"	25.00377
"1268041"	490.221786	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+CH3OH+H"	33.033486
"384429"	953.339758	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+K"	38.963158
"751625"	1410.528058	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+K"	38.963158
"1547480"	496.151458	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+K"	38.963158
"303562"	477.173517	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+H+K"	39.970434
"701451"	705.767667	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+H+K"	39.970434
"1448711"	248.579367	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H+K"	39.970434
"237311"	956.410426	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+ACN+H"	42.033826
"1212207"	499.222126	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+ACN+H"	42.033826
"1196091"	250.114701	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+ACN+2H"	43.041102
"192242"	959.34776	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+2Na-H"	44.97116
"630710"	1416.53606	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+2Na-H"	44.97116
"1133242"	502.15946	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2Na-H"	44.97116
"175317"	480.177518	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+2Na"	45.978436
"614999"	708.771668	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+2Na"	45.978436
"1115644"	251.583368	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2Na"	45.978436
"1398551"	168.058004	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H+2Na"	46.985712
"1431841"	504.201046	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H+HCOOH"	47.012746
"227009"	485.21054	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+3H2O+2H"	56.04448
"1514340"	518.25309	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+IsoProp+H"	61.06479
"413665"	488.164488	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+Na+K"	61.952376
"782314"	716.758638	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+Na+K"	61.952376
"1674273"	259.570338	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Na+K"	61.952376
"259698"	978.392368	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+ACN+Na"	64.015768
"1233502"	521.204068	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+ACN+Na"	64.015768
"1726522"	521.227593	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+NH4+HCOOH"	64.039293
"1187744"	175.385318	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+3Na"	68.967654
"1656542"	526.182988	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Na+HCOOH"	68.994688
"157938"	991.29564	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+2K-H"	76.91904
"608070"	1448.48394	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+2K-H"	76.91904
"1092947"	534.10734	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2K-H"	76.91904
"150857"	496.151458	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"2M+2K"	77.926316
"594429"	724.745608	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"3M+2K"	77.926316
"1079303"	267.557308	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2K"	77.926316
"1108140"	536.121892	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2K+H"	78.933592
"1347079"	536.209507	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+DMSO+H"	79.021207
"1016334"	540.248676	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2ACN+H"	83.060376
"1526805"	541.242308	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+IsoProp+Na+H"	84.054008
"991067"	270.627976	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+2ACN+2H"	84.067652
"1594317"	542.156928	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+K+HCOOH"	84.968628
"1419976"	572.188438	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+H+CF3COOH"	115.000138
"1159024"	291.141251	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+3ACN+2H"	125.094202
"1704204"	589.214985	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+NH4+CF3COOH"	132.026685
"1642042"	594.17038	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+Na+CF3COOH"	136.98208
"1576599"	610.14432	"C20813"	"OA-6129 A"	"C20H31N3O7S"	"457.1883"	"M+K+CF3COOH"	152.95602
"803683"	553.14	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M"	0
"980495"	534.12161	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-H2O-H"	-19.01839
"69830"	367.752724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M-3H"	-3.021828
"518235"	552.132724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M-3H"	-3.021828
"891572"	183.372724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-3H"	-3.021828
"13427"	552.132724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M-2H"	-2.014552
"450801"	828.702724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M-2H"	-2.014552
"829697"	275.562724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-2H"	-2.014552
"87505"	1105.272724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M-H"	-1.007276
"528159"	1658.412724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M-H"	-1.007276
"904868"	552.132724	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-H"	-1.007276
"55961"	1122.299271	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M-2H+NH4"	16.019271
"497709"	1675.439271	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M-2H+NH4"	16.019271
"872230"	569.159271	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-2H+NH4"	16.019271
"40127"	1127.254666	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M-2H+Na"	20.974666
"472277"	1680.394666	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M-2H+Na"	20.974666
"849221"	574.114666	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-2H+Na"	20.974666
"1618679"	574.114666	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Na-2H"	20.974666
"94839"	570.121063	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M-H+Cl"	33.962126
"534639"	846.691063	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M-H+Cl"	33.962126
"934446"	293.551063	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-H+Cl"	33.962126
"273007"	1141.249402	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+Cl"	34.969402
"664336"	1694.389402	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+Cl"	34.969402
"1277833"	588.109402	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Cl"	34.969402
"22574"	1143.228606	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M-2H+K"	36.948606
"468699"	1696.368606	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M-2H+K"	36.948606
"844314"	590.088606	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-2H+K"	36.948606
"1567802"	590.088606	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+K-2H"	36.948606
"953497"	598.138194	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-H+HCOOH"	44.998194
"370618"	1151.278201	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+HCOOH-H"	44.998201
"354504"	1165.293851	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+Hac-H"	59.013851
"1496773"	612.153851	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Hac-H"	59.013851
"964315"	620.120151	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-H+NaCOOH"	66.980151
"115412"	588.109402	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+2Cl"	69.938804
"552419"	864.679402	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+2Cl"	69.938804
"1027050"	311.539402	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2Cl"	69.938804
"1244077"	632.058885	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Br"	78.918885
"1307619"	634.114872	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Cl+HCOOH"	80.974872
"1333140"	656.096829	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Cl+NaCOOH"	102.956829
"924199"	666.125586	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M-H+CF3COOH"	112.985586
"1295440"	702.102264	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Cl+CF3COOH"	148.962264
"1372509"	518.127324	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H-2H2O"	-35.012676
"1384538"	536.1373	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H-H2O"	-17.0027
"294069"	1107.287276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+H"	1.007276
"682116"	1660.427276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+H"	1.007276
"1361746"	554.147276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H"	1.007276
"141168"	554.147276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+2H"	2.014552
"581214"	830.717276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+2H"	2.014552
"1051637"	277.577276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2H"	2.014552
"218443"	369.767276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+3H"	3.021828
"658985"	554.147276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+3H"	3.021828
"1177354"	185.387276	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+3H"	3.021828
"439160"	1124.313823	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+NH4"	18.033823
"800517"	1677.453823	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+NH4"	18.033823
"1696481"	571.173823	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+NH4"	18.033823
"345009"	562.6605495	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+H+NH4"	19.041099
"737912"	839.2305495	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+H+NH4"	19.041099
"1491975"	286.0905495	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H+NH4"	19.041099
"407495"	1129.269218	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+Na"	22.989218
"769340"	1682.409218	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+Na"	22.989218
"1614762"	576.129218	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Na"	22.989218
"322609"	565.138247	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+H+Na"	23.996494
"711753"	841.708247	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+H+Na"	23.996494
"1465574"	288.568247	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H+Na"	23.996494
"1062100"	192.71459	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2H+Na"	25.00377
"1267058"	586.173486	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+CH3OH+H"	33.033486
"392441"	1145.243158	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+K"	38.963158
"751005"	1698.383158	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+K"	38.963158
"1550870"	592.103158	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+K"	38.963158
"304766"	573.125217	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+H+K"	39.970434
"704477"	849.695217	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+H+K"	39.970434
"1456111"	296.555217	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H+K"	39.970434
"240703"	1148.313826	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+ACN+H"	42.033826
"1213411"	595.173826	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+ACN+H"	42.033826
"1195107"	298.090551	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+ACN+2H"	43.041102
"190287"	1151.25116	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+2Na-H"	44.97116
"628953"	1704.39116	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+2Na-H"	44.97116
"1131894"	598.11116	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2Na-H"	44.97116
"174576"	576.129218	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+2Na"	45.978436
"613772"	852.699218	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+2Na"	45.978436
"1116178"	299.559218	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2Na"	45.978436
"1398849"	200.041904	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H+2Na"	46.985712
"1430371"	600.152746	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H+HCOOH"	47.012746
"224932"	581.16224	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+3H2O+2H"	56.04448
"1515180"	614.20479	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+IsoProp+H"	61.06479
"412683"	584.116188	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+Na+K"	61.952376
"778051"	860.686188	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+Na+K"	61.952376
"1672196"	307.546188	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Na+K"	61.952376
"255435"	1170.295768	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+ACN+Na"	64.015768
"1233612"	617.155768	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+ACN+Na"	64.015768
"1726510"	617.179293	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+NH4+HCOOH"	64.039293
"1191867"	207.369218	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+3Na"	68.967654
"1659934"	622.134688	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Na+HCOOH"	68.994688
"166795"	1183.19904	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+2K-H"	76.91904
"606726"	1736.33904	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+2K-H"	76.91904
"1093058"	630.05904	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2K-H"	76.91904
"152790"	592.103158	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"2M+2K"	77.926316
"592715"	868.673158	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"3M+2K"	77.926316
"1077227"	315.533158	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2K"	77.926316
"1111530"	632.073592	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2K+H"	78.933592
"1347555"	632.161207	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+DMSO+H"	79.021207
"1016445"	636.200376	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2ACN+H"	83.060376
"1532381"	637.194008	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+IsoProp+Na+H"	84.054008
"999924"	318.603826	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+2ACN+2H"	84.067652
"1596613"	638.108628	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+K+HCOOH"	84.968628
"1424460"	668.140138	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+H+CF3COOH"	115.000138
"1159134"	339.117101	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+3ACN+2H"	125.094202
"1707595"	685.166685	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+NH4+CF3COOH"	132.026685
"1642152"	690.12208	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+Na+CF3COOH"	136.98208
"1576709"	706.09602	"C20814"	"OA-6129 C"	"C20H31N3O11S2"	"553.14"	"M+K+CF3COOH"	152.95602
"810354"	408.0297	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M"	0
"980606"	389.01131	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-H2O-H"	-19.01839
"69940"	271.012524	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M-3H"	-3.021828
"507312"	407.022424	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M-3H"	-3.021828
"889495"	135.002624	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-3H"	-3.021828
"5882"	407.022424	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M-2H"	-2.014552
"446539"	611.037274	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M-2H"	-2.014552
"826527"	203.007574	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-2H"	-2.014552
"89802"	815.052124	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M-H"	-1.007276
"528268"	1223.081824	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M-H"	-1.007276
"904977"	407.022424	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-H"	-1.007276
"54978"	832.078671	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M-2H+NH4"	16.019271
"493445"	1240.108371	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M-2H+NH4"	16.019271
"873431"	424.048971	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-2H+NH4"	16.019271
"38051"	837.034066	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M-2H+Na"	20.974666
"472509"	1245.063766	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M-2H+Na"	20.974666
"848725"	429.004366	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-2H+Na"	20.974666
"1618867"	429.004366	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Na-2H"	20.974666
"95026"	425.010763	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M-H+Cl"	33.962126
"539948"	629.025613	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M-H+Cl"	33.962126
"931276"	220.995913	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-H+Cl"	33.962126
"272024"	851.028802	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+Cl"	34.969402
"665539"	1259.058502	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+Cl"	34.969402
"1281223"	442.999102	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Cl"	34.969402
"22685"	853.008006	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M-2H+K"	36.948606
"468810"	1261.037706	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M-2H+K"	36.948606
"844424"	444.978306	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-2H+K"	36.948606
"1567912"	444.978306	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+K-2H"	36.948606
"950327"	453.027894	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-H+HCOOH"	44.998194
"367448"	861.057601	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+HCOOH-H"	44.998201
"353521"	875.073251	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+Hac-H"	59.013851
"1501258"	467.043551	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Hac-H"	59.013851
"960051"	475.009851	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-H+NaCOOH"	66.980151
"111512"	442.999102	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+2Cl"	69.938804
"551435"	647.013952	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+2Cl"	69.938804
"1028253"	238.984252	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2Cl"	69.938804
"1242848"	486.948585	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Br"	78.918885
"1305540"	489.004572	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Cl+HCOOH"	80.974872
"1329972"	510.986529	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Cl+NaCOOH"	102.956829
"923215"	521.015286	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M-H+CF3COOH"	112.985586
"1295551"	556.991964	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Cl+CF3COOH"	148.962264
"1369339"	373.017024	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H-2H2O"	-35.012676
"1384648"	391.027	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H-H2O"	-17.0027
"296366"	817.066676	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+H"	1.007276
"682226"	1225.096376	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+H"	1.007276
"1361855"	409.036976	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H"	1.007276
"139488"	409.036976	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+2H"	2.014552
"580873"	613.051826	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+2H"	2.014552
"1051865"	205.022126	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2H"	2.014552
"219523"	273.027076	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+3H"	3.021828
"659328"	409.036976	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+3H"	3.021828
"1177698"	137.017176	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+3H"	3.021828
"439513"	834.093223	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+NH4"	18.033823
"800874"	1242.122923	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+NH4"	18.033823
"1697003"	426.063523	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+NH4"	18.033823
"345444"	417.5502495	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+H+NH4"	19.041099
"737982"	621.5650995	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+H+NH4"	19.041099
"1491725"	213.5353995	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H+NH4"	19.041099
"406878"	839.048618	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+Na"	22.989218
"769571"	1247.078318	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+Na"	22.989218
"1612686"	431.018918	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Na"	22.989218
"320536"	420.027947	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+H+Na"	23.996494
"717330"	624.042797	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+H+Na"	23.996494
"1475525"	216.013097	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H+Na"	23.996494
"1068213"	144.34449	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2H+Na"	25.00377
"1270449"	441.063186	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+CH3OH+H"	33.033486
"391827"	855.022558	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+K"	38.963158
"748929"	1263.052258	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+K"	38.963158
"1549888"	446.992858	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+K"	38.963158
"308157"	428.014917	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+H+K"	39.970434
"704951"	632.029767	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+H+K"	39.970434
"1459138"	224.000067	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H+K"	39.970434
"247372"	858.093226	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+ACN+H"	42.033826
"1215708"	450.063526	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+ACN+H"	42.033826
"1196313"	225.535401	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+ACN+2H"	43.041102
"191369"	861.03056	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+2Na-H"	44.97116
"631293"	1269.06026	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+2Na-H"	44.97116
"1133706"	453.00086	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2Na-H"	44.97116
"174199"	431.018918	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+2Na"	45.978436
"614126"	635.033768	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+2Na"	45.978436
"1116409"	227.004068	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2Na"	45.978436
"1401397"	151.671804	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H+2Na"	46.985712
"1430843"	455.042446	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H+HCOOH"	47.012746
"221392"	436.05194	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+3H2O+2H"	56.04448
"1514196"	469.09449	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+IsoProp+H"	61.06479
"412791"	439.005888	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+Na+K"	61.952376
"777067"	643.020738	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+Na+K"	61.952376
"1672306"	234.991038	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Na+K"	61.952376
"256638"	880.075168	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+ACN+Na"	64.015768
"1226306"	472.045468	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+ACN+Na"	64.015768
"1716047"	472.068993	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+NH4+HCOOH"	64.039293
"1192463"	158.999118	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+3Na"	68.967654
"1653482"	477.024388	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Na+HCOOH"	68.994688
"164718"	892.97844	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+2K-H"	76.91904
"606470"	1301.00814	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+2K-H"	76.91904
"1096083"	484.94874	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2K-H"	76.91904
"152536"	446.992858	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"2M+2K"	77.926316
"593190"	651.007708	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"3M+2K"	77.926316
"1076242"	242.978008	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2K"	77.926316
"1109452"	486.963292	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2K+H"	78.933592
"1348757"	487.050907	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+DMSO+H"	79.021207
"1015460"	491.090076	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2ACN+H"	83.060376
"1529211"	492.083708	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+IsoProp+Na+H"	84.054008
"1000032"	246.048676	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+2ACN+2H"	84.067652
"1596723"	492.998328	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+K+HCOOH"	84.968628
"1420196"	523.029838	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+H+CF3COOH"	115.000138
"1148671"	266.561951	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+3ACN+2H"	125.094202
"1710985"	540.056385	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+NH4+CF3COOH"	132.026685
"1642261"	545.01178	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+Na+CF3COOH"	136.98208
"1576819"	560.98572	"C20815"	"MM 4550"	"C13H16N2O9S2"	"408.0297"	"M+K+CF3COOH"	152.95602
"803903"	352.0399	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M"	0
"975118"	333.02151	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-H2O-H"	-19.01839
"63731"	233.685990666667	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M-3H"	-3.021828
"507422"	351.032624	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M-3H"	-3.021828
"889605"	116.339357333333	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-3H"	-3.021828
"7085"	351.032624	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M-2H"	-2.014552
"452115"	527.052574	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M-2H"	-2.014552
"827730"	175.012674	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-2H"	-2.014552
"89911"	703.072524	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M-H"	-1.007276
"529471"	1055.112424	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M-H"	-1.007276
"899619"	351.032624	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-H"	-1.007276
"53993"	720.099071	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M-2H+NH4"	16.019271
"493554"	1072.138971	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M-2H+NH4"	16.019271
"868075"	368.059171	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-2H+NH4"	16.019271
"35974"	725.054466	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M-2H+Na"	20.974666
"471802"	1077.094366	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M-2H+Na"	20.974666
"848956"	373.014566	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-2H+Na"	20.974666
"1618980"	373.014566	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Na-2H"	20.974666
"94893"	369.020963	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M-H+Cl"	33.962126
"536777"	545.040913	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M-H+Cl"	33.962126
"931386"	193.001013	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-H+Cl"	33.962126
"274320"	739.049202	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+Cl"	34.969402
"665649"	1091.089102	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+Cl"	34.969402
"1278050"	387.009302	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Cl"	34.969402
"23888"	741.028406	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M-2H+K"	36.948606
"465637"	1093.068306	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M-2H+K"	36.948606
"843439"	388.988506	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-2H+K"	36.948606
"1563647"	388.988506	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+K-2H"	36.948606
"948250"	397.038094	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-H+HCOOH"	44.998194
"366464"	749.078001	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+HCOOH-H"	44.998201
"355816"	763.093651	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+Hac-H"	59.013851
"1500274"	411.053751	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Hac-H"	59.013851
"964533"	419.020051	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-H+NaCOOH"	66.980151
"117817"	387.009302	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+2Cl"	69.938804
"551419"	563.029252	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+2Cl"	69.938804
"1028363"	210.989352	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2Cl"	69.938804
"1243687"	430.958785	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Br"	78.918885
"1304919"	433.014772	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Cl+HCOOH"	80.974872
"1333361"	454.996729	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Cl+NaCOOH"	102.956829
"923325"	465.025486	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M-H+CF3COOH"	112.985586
"1295661"	501.002164	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Cl+CF3COOH"	148.962264
"1369449"	317.027224	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H-2H2O"	-35.012676
"1384758"	335.0372	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H-H2O"	-17.0027
"296476"	705.087076	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+H"	1.007276
"681243"	1057.126976	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+H"	1.007276
"1361965"	353.047176	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H"	1.007276
"140328"	353.047176	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+2H"	2.014552
"580862"	529.067126	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+2H"	2.014552
"1052459"	177.027226	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2H"	2.014552
"219513"	235.700542666667	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+3H"	3.021828
"659765"	353.047176	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+3H"	3.021828
"1178458"	118.353909333333	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+3H"	3.021828
"439380"	722.113623	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+NH4"	18.033823
"801306"	1074.153523	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+NH4"	18.033823
"1696216"	370.073723	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+NH4"	18.033823
"345550"	361.5604495	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+H+NH4"	19.041099
"737403"	537.5803995	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+H+NH4"	19.041099
"1490860"	185.5404995	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H+NH4"	19.041099
"406986"	727.069018	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+Na"	22.989218
"767251"	1079.108918	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+Na"	22.989218
"1616444"	375.029118	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Na"	22.989218
"323926"	364.038147	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+H+Na"	23.996494
"717441"	540.058097	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+H+Na"	23.996494
"1473449"	188.018197	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H+Na"	23.996494
"1066333"	125.681223333333	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2H+Na"	25.00377
"1269831"	385.073386	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+CH3OH+H"	33.033486
"391692"	743.042958	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+K"	38.963158
"745757"	1095.082858	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+K"	38.963158
"1548905"	391.003058	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+K"	38.963158
"307173"	372.025117	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+H+K"	39.970434
"704333"	548.045067	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+H+K"	39.970434
"1458155"	196.005167	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H+K"	39.970434
"246389"	746.113626	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+ACN+H"	42.033826
"1213630"	394.073726	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+ACN+H"	42.033826
"1194841"	197.540501	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+ACN+2H"	43.041102
"194757"	749.05096	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+2Na-H"	44.97116
"632132"	1101.09086	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+2Na-H"	44.97116
"1134909"	397.01106	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2Na-H"	44.97116
"176376"	375.029118	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+2Na"	45.978436
"615209"	551.049068	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+2Na"	45.978436
"1117982"	199.009168	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2Na"	45.978436
"1400778"	133.008537333333	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H+2Na"	46.985712
"1430834"	399.052646	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H+HCOOH"	47.012746
"222959"	380.06214	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+3H2O+2H"	56.04448
"1513213"	413.10469	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+IsoProp+H"	61.06479
"412901"	383.016088	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+Na+K"	61.952376
"771710"	559.036038	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+Na+K"	61.952376
"1666214"	206.996138	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Na+K"	61.952376
"255655"	768.095568	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+ACN+Na"	64.015768
"1227389"	416.055668	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+ACN+Na"	64.015768
"1719437"	416.079193	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+NH4+HCOOH"	64.039293
"1190259"	140.335851333333	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+3Na"	68.967654
"1653592"	421.034588	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Na+HCOOH"	68.994688
"164828"	780.99884	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+2K-H"	76.91904
"606218"	1133.03874	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+2K-H"	76.91904
"1096193"	428.95894	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2K-H"	76.91904
"151186"	391.003058	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"2M+2K"	77.926316
"593664"	567.023008	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"3M+2K"	77.926316
"1076352"	214.983108	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2K"	77.926316
"1110656"	430.973492	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2K+H"	78.933592
"1347771"	431.061107	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+DMSO+H"	79.021207
"1015570"	435.100276	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2ACN+H"	83.060376
"1528228"	436.093908	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+IsoProp+Na+H"	84.054008
"996862"	218.053776	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+2ACN+2H"	84.067652
"1592458"	437.008528	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+K+HCOOH"	84.968628
"1420306"	467.040038	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+H+CF3COOH"	115.000138
"1153885"	238.567051	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+3ACN+2H"	125.094202
"1711095"	484.066585	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+NH4+CF3COOH"	132.026685
"1643464"	489.02198	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+Na+CF3COOH"	136.98208
"1576929"	504.99592	"C20816"	"Deacetylepithienamycin F;Deacetyl MM 17880;NA 26975"	"C11H16N2O7S2"	"352.0399"	"M+K+CF3COOH"	152.95602
"804013"	230.0725	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M"	0
"976449"	211.05411	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-H2O-H"	-19.01839
"64692"	152.374390666667	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M-3H"	-3.021828
"509718"	229.065224	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M-3H"	-3.021828
"883147"	75.6835573333333	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-3H"	-3.021828
"6096"	229.065224	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M-2H"	-2.014552
"443472"	344.101474	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M-2H"	-2.014552
"822007"	114.028974	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-2H"	-2.014552
"88928"	459.137724	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M-H"	-1.007276
"529580"	689.210224	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M-H"	-1.007276
"903009"	229.065224	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-H"	-1.007276
"57018"	476.164271	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M-2H+NH4"	16.019271
"494758"	706.236771	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M-2H+NH4"	16.019271
"864418"	246.091771	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-2H+NH4"	16.019271
"36084"	481.119666	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M-2H+Na"	20.974666
"471705"	711.192166	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M-2H+Na"	20.974666
"848903"	251.047166	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-2H+Na"	20.974666
"1619132"	251.047166	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Na-2H"	20.974666
"94472"	247.053563	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M-H+Cl"	33.962126
"534301"	362.089813	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M-H+Cl"	33.962126
"931496"	132.017313	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-H+Cl"	33.962126
"271150"	495.114402	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+Cl"	34.969402
"664666"	725.186902	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+Cl"	34.969402
"1275974"	265.041902	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Cl"	34.969402
"21812"	497.093606	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M-2H+K"	36.948606
"464654"	727.166106	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M-2H+K"	36.948606
"843549"	267.021106	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-2H+K"	36.948606
"1563757"	267.021106	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+K-2H"	36.948606
"948360"	275.070694	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-H+HCOOH"	44.998194
"366574"	505.143201	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+HCOOH-H"	44.998201
"355926"	519.158851	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+Hac-H"	59.013851
"1501477"	289.086351	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Hac-H"	59.013851
"964643"	297.052651	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-H+NaCOOH"	66.980151
"117927"	265.041902	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+2Cl"	69.938804
"551652"	380.078152	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+2Cl"	69.938804
"1028473"	150.005652	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2Cl"	69.938804
"1242946"	308.991385	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Br"	78.918885
"1304787"	311.047372	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Cl+HCOOH"	80.974872
"1334200"	333.029329	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Cl+NaCOOH"	102.956829
"925622"	343.058086	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M-H+CF3COOH"	112.985586
"1299051"	379.034764	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Cl+CF3COOH"	148.962264
"1369923"	195.059824	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H-2H2O"	-35.012676
"1384868"	213.0698	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H-H2O"	-17.0027
"295493"	461.152276	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+H"	1.007276
"682446"	691.224776	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+H"	1.007276
"1362075"	231.079776	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H"	1.007276
"141340"	231.079776	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+2H"	2.014552
"580971"	346.116026	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+2H"	2.014552
"1052613"	116.043526	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2H"	2.014552
"219704"	154.388942666667	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+3H"	3.021828
"659936"	231.079776	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+3H"	3.021828
"1178439"	77.6981093333333	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+3H"	3.021828
"439912"	478.178823	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+NH4"	18.033823
"801218"	708.251323	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+NH4"	18.033823
"1696203"	248.106323	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+NH4"	18.033823
"345549"	239.5930495	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+H+NH4"	19.041099
"738119"	354.6292995	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+H+NH4"	19.041099
"1491695"	124.5567995	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H+NH4"	19.041099
"406729"	483.134218	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+Na"	22.989218
"766995"	713.206718	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+Na"	22.989218
"1611813"	253.061718	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Na"	22.989218
"324036"	242.070747	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+H+Na"	23.996494
"717551"	357.106997	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+H+Na"	23.996494
"1472465"	127.034497	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H+Na"	23.996494
"1067171"	85.0254233333333	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2H+Na"	25.00377
"1265202"	263.105986	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+CH3OH+H"	33.033486
"392166"	499.108158	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+K"	38.963158
"745867"	729.180658	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+K"	38.963158
"1549015"	269.035658	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+K"	38.963158
"307283"	250.057717	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+H+K"	39.970434
"704807"	365.093967	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+H+K"	39.970434
"1456806"	135.021467	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H+K"	39.970434
"244313"	502.178826	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+ACN+H"	42.033826
"1217020"	272.106326	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+ACN+H"	42.033826
"1196896"	136.556801	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+ACN+2H"	43.041102
"191952"	505.11616	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+2Na-H"	44.97116
"632240"	735.18866	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+2Na-H"	44.97116
"1137204"	275.04366	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2Na-H"	44.97116
"176120"	253.061718	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+2Na"	45.978436
"616046"	368.097968	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+2Na"	45.978436
"1122832"	138.025468	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2Na"	45.978436
"1400887"	92.3527373333333	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H+2Na"	46.985712
"1432645"	277.085246	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H+HCOOH"	47.012746
"221610"	258.09474	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+3H2O+2H"	56.04448
"1511500"	291.13729	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+IsoProp+H"	61.06479
"415197"	261.048688	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+Na+K"	61.952376
"775099"	376.084938	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+Na+K"	61.952376
"1666932"	146.012438	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Na+K"	61.952376
"256858"	524.160768	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+ACN+Na"	64.015768
"1228471"	294.088268	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+ACN+Na"	64.015768
"1719547"	294.111793	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+NH4+HCOOH"	64.039293
"1187089"	99.6800513333333	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+3Na"	68.967654
"1653702"	299.067188	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Na+HCOOH"	68.994688
"161658"	537.06404	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+2K-H"	76.91904
"608149"	767.13654	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+2K-H"	76.91904
"1098126"	306.99154	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2K-H"	76.91904
"151296"	269.035658	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"2M+2K"	77.926316
"594866"	384.071908	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"3M+2K"	77.926316
"1074275"	153.999408	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2K"	77.926316
"1110765"	309.006092	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2K+H"	78.933592
"1347151"	309.093707	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+DMSO+H"	79.021207
"1017866"	313.132876	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2ACN+H"	83.060376
"1526151"	314.126508	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+IsoProp+Na+H"	84.054008
"993691"	157.070076	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+2ACN+2H"	84.067652
"1593662"	315.041128	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+K+HCOOH"	84.968628
"1418230"	345.072638	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+H+CF3COOH"	115.000138
"1153995"	177.583351	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+3ACN+2H"	125.094202
"1707925"	362.099185	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+NH4+CF3COOH"	132.026685
"1640294"	367.05458	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+Na+CF3COOH"	136.98208
"1577039"	383.02852	"C20817"	"C20817;Carbapenem biosynthesis intermediate 1"	"C9H14N2O3S"	"230.0725"	"M+K+CF3COOH"	152.95602
"803029"	244.0882	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M"	0
"974284"	225.06981	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-H2O-H"	-19.01839
"63709"	161.718190666667	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M-3H"	-3.021828
"506548"	243.080924	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M-3H"	-3.021828
"882164"	80.3554573333333	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-3H"	-3.021828
"2926"	243.080924	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M-2H"	-2.014552
"443582"	365.125024	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M-2H"	-2.014552
"818104"	121.036824	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-2H"	-2.014552
"85758"	487.169124	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M-H"	-1.007276
"527503"	731.257324	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M-H"	-1.007276
"904211"	243.080924	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-H"	-1.007276
"56398"	504.195671	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M-2H+NH4"	16.019271
"493773"	748.283871	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M-2H+NH4"	16.019271
"864521"	260.107471	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-2H+NH4"	16.019271
"34008"	509.151066	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M-2H+Na"	20.974666
"471450"	753.239266	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M-2H+Na"	20.974666
"848529"	265.062866	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-2H+Na"	20.974666
"1618468"	265.062866	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Na-2H"	20.974666
"94322"	261.069263	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M-H+Cl"	33.962126
"534394"	383.113363	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M-H+Cl"	33.962126
"927429"	139.025163	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-H+Cl"	33.962126
"267487"	523.145802	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+Cl"	34.969402
"664776"	767.234002	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+Cl"	34.969402
"1274991"	279.057602	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Cl"	34.969402
"21922"	525.125006	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M-2H+K"	36.948606
"465857"	769.213206	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M-2H+K"	36.948606
"840379"	281.036806	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-2H+K"	36.948606
"1563867"	281.036806	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+K-2H"	36.948606
"948470"	289.086394	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-H+HCOOH"	44.998194
"365591"	533.174601	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+HCOOH-H"	44.998201
"350569"	547.190251	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+Hac-H"	59.013851
"1497213"	303.102051	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Hac-H"	59.013851
"961837"	311.068351	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-H+NaCOOH"	66.980151
"115850"	279.057602	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+2Cl"	69.938804
"551762"	401.101702	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+2Cl"	69.938804
"1025303"	157.013502	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2Cl"	69.938804
"1243053"	323.007085	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Br"	78.918885
"1304531"	325.063072	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Cl+HCOOH"	80.974872
"1331395"	347.045029	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Cl+NaCOOH"	102.956829
"922452"	357.073786	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M-H+CF3COOH"	112.985586
"1298068"	393.050464	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Cl+CF3COOH"	148.962264
"1368576"	209.075524	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H-2H2O"	-35.012676
"1384978"	227.0855	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H-H2O"	-17.0027
"293416"	489.183676	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+H"	1.007276
"681463"	733.271876	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+H"	1.007276
"1359999"	245.095476	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H"	1.007276
"139449"	245.095476	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+2H"	2.014552
"577920"	367.139576	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+2H"	2.014552
"1052392"	123.051376	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2H"	2.014552
"219360"	163.732742666667	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+3H"	3.021828
"659291"	245.095476	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+3H"	3.021828
"1178025"	82.3700093333333	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+3H"	3.021828
"438742"	506.210223	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+NH4"	18.033823
"800467"	750.298423	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+NH4"	18.033823
"1696557"	262.122023	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+NH4"	18.033823
"344470"	253.6087495	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+H+NH4"	19.041099
"736526"	375.6528495	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+H+NH4"	19.041099
"1488525"	131.5646495	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H+NH4"	19.041099
"402830"	511.165618	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+Na"	22.989218
"763823"	755.253818	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+Na"	22.989218
"1609736"	267.077418	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Na"	22.989218
"320866"	256.086447	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+H+Na"	23.996494
"714381"	378.130547	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+H+Na"	23.996494
"1468202"	134.042347	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H+Na"	23.996494
"1066918"	89.6973233333333	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2H+Na"	25.00377
"1265312"	277.121686	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+CH3OH+H"	33.033486
"391182"	527.139558	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+K"	38.963158
"743791"	771.227758	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+K"	38.963158
"1546936"	283.051358	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+K"	38.963158
"306298"	264.073417	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+H+K"	39.970434
"700907"	386.117517	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+H+K"	39.970434
"1451446"	142.029317	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H+K"	39.970434
"241141"	530.210226	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+ACN+H"	42.033826
"1212391"	286.122026	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+ACN+H"	42.033826
"1194407"	143.564651	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+ACN+2H"	43.041102
"189509"	533.14756	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+2Na-H"	44.97116
"628785"	777.23576	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+2Na-H"	44.97116
"1131516"	289.05936	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2Na-H"	44.97116
"173189"	267.077418	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+2Na"	45.978436
"613724"	389.121518	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+2Na"	45.978436
"1116043"	145.033318	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2Na"	45.978436
"1398502"	97.0246373333333	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H+2Na"	46.985712
"1431662"	291.100946	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H+HCOOH"	47.012746
"221720"	272.11044	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+3H2O+2H"	56.04448
"1511246"	305.15299	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+IsoProp+H"	61.06479
"415307"	275.064388	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+Na+K"	61.952376
"775209"	397.108488	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+Na+K"	61.952376
"1667529"	153.020288	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Na+K"	61.952376
"253687"	552.192168	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+ACN+Na"	64.015768
"1225665"	308.103968	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+ACN+Na"	64.015768
"1717470"	308.127493	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+NH4+HCOOH"	64.039293
"1188292"	104.351951333333	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+3Na"	68.967654
"1651014"	313.082888	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Na+HCOOH"	68.994688
"161767"	565.09544	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+2K-H"	76.91904
"599505"	809.18364	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+2K-H"	76.91904
"1093495"	321.00724	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2K-H"	76.91904
"144844"	283.051358	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"2M+2K"	77.926316
"585498"	405.095458	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"3M+2K"	77.926316
"1076570"	161.007258	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2K"	77.926316
"1110873"	323.021792	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2K+H"	78.933592
"1347257"	323.109407	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+DMSO+H"	79.021207
"1010322"	327.148576	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2ACN+H"	83.060376
"1524718"	328.142208	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+IsoProp+Na+H"	84.054008
"991856"	164.077926	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+2ACN+2H"	84.067652
"1589398"	329.056828	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+K+HCOOH"	84.968628
"1418340"	359.088338	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+H+CF3COOH"	115.000138
"1154105"	184.591201	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+3ACN+2H"	125.094202
"1708035"	376.114885	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+NH4+CF3COOH"	132.026685
"1640404"	381.07028	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+Na+CF3COOH"	136.98208
"1577149"	397.04422	"C20818"	"C20818;Carbapenem biosynthesis intermediate 2"	"C10H16N2O3S"	"244.0882"	"M+K+CF3COOH"	152.95602
"803503"	258.1038	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M"	0
"975575"	239.08541	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-H2O-H"	-19.01839
"64183"	171.061924	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M-3H"	-3.021828
"506658"	257.096524	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M-3H"	-3.021828
"883368"	85.027324	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-3H"	-3.021828
"5223"	257.096524	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M-2H"	-2.014552
"444785"	386.148424	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M-2H"	-2.014552
"819307"	128.044624	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-2H"	-2.014552
"85867"	515.200324	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M-H"	-1.007276
"526520"	773.304124	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M-H"	-1.007276
"904322"	257.096524	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-H"	-1.007276
"57603"	532.226871	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M-2H+NH4"	16.019271
"494975"	790.330671	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M-2H+NH4"	16.019271
"864619"	274.123071	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-2H+NH4"	16.019271
"35211"	537.182266	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M-2H+Na"	20.974666
"472079"	795.286066	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M-2H+Na"	20.974666
"849164"	279.078466	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-2H+Na"	20.974666
"1618652"	279.078466	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Na-2H"	20.974666
"94614"	275.084863	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M-H+Cl"	33.962126
"534338"	404.136763	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M-H+Cl"	33.962126
"927443"	146.032963	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-H+Cl"	33.962126
"268083"	551.177002	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+Cl"	34.969402
"667072"	809.280802	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+Cl"	34.969402
"1274002"	293.073202	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Cl"	34.969402
"18752"	553.156206	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M-2H+K"	36.948606
"457583"	811.260006	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M-2H+K"	36.948606
"834293"	295.052406	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-2H+K"	36.948606
"1560697"	295.052406	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+K-2H"	36.948606
"946393"	303.101994	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-H+HCOOH"	44.998194
"363510"	561.205801	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+HCOOH-H"	44.998201
"347395"	575.221451	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+Hac-H"	59.013851
"1493303"	317.117651	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Hac-H"	59.013851
"960485"	325.083951	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-H+NaCOOH"	66.980151
"112312"	293.073202	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+2Cl"	69.938804
"552234"	422.125102	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+2Cl"	69.938804
"1025045"	164.021302	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2Cl"	69.938804
"1243164"	337.022685	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Br"	78.918885
"1305246"	339.078672	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Cl+HCOOH"	80.974872
"1322753"	361.060629	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Cl+NaCOOH"	102.956829
"920372"	371.089386	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M-H+CF3COOH"	112.985586
"1297085"	407.066064	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Cl+CF3COOH"	148.962264
"1369050"	223.091124	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H-2H2O"	-35.012676
"1388370"	241.1011	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H-H2O"	-17.0027
"283927"	517.214876	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+H"	1.007276
"679386"	775.318676	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+H"	1.007276
"1355735"	259.111076	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H"	1.007276
"136279"	259.111076	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+2H"	2.014552
"580216"	388.162976	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+2H"	2.014552
"1052502"	130.059176	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2H"	2.014552
"218986"	173.076476	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+3H"	3.021828
"659894"	259.111076	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+3H"	3.021828
"1178009"	87.041876	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+3H"	3.021828
"435690"	534.241423	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+NH4"	18.033823
"800333"	792.345223	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+NH4"	18.033823
"1696543"	276.137623	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+NH4"	18.033823
"345065"	267.6243495	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+H+NH4"	19.041099
"736877"	396.6762495	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+H+NH4"	19.041099
"1488634"	138.5724495	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H+NH4"	19.041099
"405126"	539.196818	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+Na"	22.989218
"766118"	797.300618	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+Na"	22.989218
"1610936"	281.093018	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Na"	22.989218
"320976"	270.102047	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+H+Na"	23.996494
"714491"	399.153947	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+H+Na"	23.996494
"1467218"	141.050147	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H+Na"	23.996494
"1066662"	94.36919	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2H+Na"	25.00377
"1264328"	291.137286	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+CH3OH+H"	33.033486
"388374"	555.170758	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+K"	38.963158
"742807"	813.274558	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+K"	38.963158
"1545952"	297.066958	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+K"	38.963158
"305315"	278.089017	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+H+K"	39.970434
"703203"	407.140917	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+H+K"	39.970434
"1448276"	149.037117	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H+K"	39.970434
"241251"	558.241426	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+ACN+H"	42.033826
"1211040"	300.137626	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+ACN+H"	42.033826
"1194246"	150.572451	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+ACN+2H"	43.041102
"189250"	561.17876	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+2Na-H"	44.97116
"629172"	819.28256	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+2Na-H"	44.97116
"1132111"	303.07496	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2Na-H"	44.97116
"173373"	281.093018	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+2Na"	45.978436
"613579"	410.144918	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+2Na"	45.978436
"1116235"	152.041118	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2Na"	45.978436
"1398790"	101.696504	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H+2Na"	46.985712
"1432864"	305.116546	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H+HCOOH"	47.012746
"220411"	286.12604	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+3H2O+2H"	56.04448
"1511353"	319.16859	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+IsoProp+H"	61.06479
"412137"	289.079988	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+Na+K"	61.952376
"775318"	418.131888	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+Na+K"	61.952376
"1670554"	160.028088	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Na+K"	61.952376
"254161"	580.223368	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+ACN+Na"	64.015768
"1229783"	322.119568	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+ACN+Na"	64.015768
"1718673"	322.143093	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+NH4+HCOOH"	64.039293
"1185122"	109.023818	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+3Na"	68.967654
"1655014"	327.098488	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Na+HCOOH"	68.994688
"159322"	593.12664	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+2K-H"	76.91904
"600705"	851.23044	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+2K-H"	76.91904
"1087408"	335.02284	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2K-H"	76.91904
"144224"	297.066958	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"2M+2K"	77.926316
"583055"	426.118858	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"3M+2K"	77.926316
"1078504"	168.015058	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2K"	77.926316
"1103330"	337.037392	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2K+H"	78.933592
"1345181"	337.125007	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+DMSO+H"	79.021207
"1010432"	341.164176	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2ACN+H"	83.060376
"1524542"	342.157808	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+IsoProp+Na+H"	84.054008
"992818"	171.085726	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+2ACN+2H"	84.067652
"1589508"	343.072428	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+K+HCOOH"	84.968628
"1416263"	373.103938	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+H+CF3COOH"	115.000138
"1148136"	191.599001	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+3ACN+2H"	125.094202
"1704865"	390.130485	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+NH4+CF3COOH"	132.026685
"1640514"	395.08588	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+Na+CF3COOH"	136.98208
"1577259"	411.05982	"C20819"	"C20819;Carbapenem biosynthesis intermediate 5"	"C11H18N2O3S"	"258.1038"	"M+K+CF3COOH"	152.95602
"803249"	274.0987	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M"	0
"976050"	255.08031	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-H2O-H"	-19.01839
"66116"	181.725190666667	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M-3H"	-3.021828
"507861"	273.091424	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M-3H"	-3.021828
"885665"	90.3589573333333	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-3H"	-3.021828
"9707"	273.091424	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M-2H"	-2.014552
"449269"	410.140774	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M-2H"	-2.014552
"821606"	136.042074	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-2H"	-2.014552
"85977"	547.190124	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M-H"	-1.007276
"527723"	821.288824	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M-H"	-1.007276
"905526"	273.091424	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-H"	-1.007276
"60629"	564.216671	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M-2H+NH4"	16.019271
"499096"	838.315371	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M-2H+NH4"	16.019271
"870702"	290.117971	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-2H+NH4"	16.019271
"41882"	569.172066	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M-2H+Na"	20.974666
"474880"	843.270766	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M-2H+Na"	20.974666
"858149"	295.073366	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-2H+Na"	20.974666
"1625496"	295.073366	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Na-2H"	20.974666
"97647"	291.079763	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M-H+Cl"	33.962126
"534896"	428.129113	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M-H+Cl"	33.962126
"928539"	154.030413	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-H+Cl"	33.962126
"268315"	583.166802	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+Cl"	34.969402
"663902"	857.265502	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+Cl"	34.969402
"1277032"	309.068102	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Cl"	34.969402
"18863"	585.146006	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M-2H+K"	36.948606
"456601"	859.244706	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M-2H+K"	36.948606
"834040"	311.047306	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-2H+K"	36.948606
"1557528"	311.047306	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+K-2H"	36.948606
"944316"	319.096894	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-H+HCOOH"	44.998194
"362162"	593.195601	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+HCOOH-H"	44.998201
"347501"	607.211251	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+Hac-H"	59.013851
"1493906"	333.112551	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Hac-H"	59.013851
"961694"	341.078851	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-H+NaCOOH"	66.980151
"113882"	309.068102	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+2Cl"	69.938804
"552341"	446.117452	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+2Cl"	69.938804
"1024790"	172.018752	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2Cl"	69.938804
"1243274"	353.017585	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Br"	78.918885
"1305360"	355.073572	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Cl+HCOOH"	80.974872
"1326143"	377.055529	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Cl+NaCOOH"	102.956829
"926803"	387.084286	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M-H+CF3COOH"	112.985586
"1300475"	423.060964	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Cl+CF3COOH"	148.962264
"1368793"	239.086024	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H-2H2O"	-35.012676
"1388480"	257.096	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H-H2O"	-17.0027
"285982"	549.204676	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+H"	1.007276
"679496"	823.303376	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+H"	1.007276
"1355845"	275.105976	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H"	1.007276
"136389"	275.105976	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+2H"	2.014552
"578505"	412.155326	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+2H"	2.014552
"1049860"	138.056626	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2H"	2.014552
"219463"	183.739742666667	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+3H"	3.021828
"658050"	275.105976	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+3H"	3.021828
"1176539"	92.3735093333333	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+3H"	3.021828
"438355"	566.231223	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+NH4"	18.033823
"798985"	840.329923	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+NH4"	18.033823
"1694222"	292.132523	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+NH4"	18.033823
"343958"	283.6192495	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+H+NH4"	19.041099
"736381"	420.6685995	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+H+NH4"	19.041099
"1487650"	146.5698995	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H+NH4"	19.041099
"403049"	571.186618	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+Na"	22.989218
"766958"	845.285318	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+Na"	22.989218
"1609954"	297.087918	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Na"	22.989218
"323273"	286.096947	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+H+Na"	23.996494
"715694"	423.146297	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+H+Na"	23.996494
"1471703"	149.047597	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H+Na"	23.996494
"1063858"	99.7008233333333	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2H+Na"	25.00377
"1267719"	307.132186	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+CH3OH+H"	33.033486
"387391"	587.160558	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+K"	38.963158
"745104"	861.259258	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+K"	38.963158
"1548249"	313.061858	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+K"	38.963158
"305425"	294.083917	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+H+K"	39.970434
"698940"	431.133267	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+H+K"	39.970434
"1450573"	157.034567	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H+K"	39.970434
"238079"	590.231226	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+ACN+H"	42.033826
"1212002"	316.132526	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+ACN+H"	42.033826
"1195523"	158.569901	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+ACN+2H"	43.041102
"189608"	593.16856	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+2Na-H"	44.97116
"629530"	867.26726	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+2Na-H"	44.97116
"1132551"	319.06986	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2Na-H"	44.97116
"173409"	297.087918	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+2Na"	45.978436
"612820"	434.137268	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+2Na"	45.978436
"1120245"	160.038568	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2Na"	45.978436
"1406686"	107.028137333333	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H+2Na"	46.985712
"1430457"	321.111446	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H+HCOOH"	47.012746
"220845"	302.12094	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+3H2O+2H"	56.04448
"1509141"	335.16349	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+IsoProp+H"	61.06479
"411876"	305.074888	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+Na+K"	61.952376
"773605"	442.124238	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+Na+K"	61.952376
"1670664"	168.025538	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Na+K"	61.952376
"254271"	612.213168	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+ACN+Na"	64.015768
"1229164"	338.114468	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+ACN+Na"	64.015768
"1716959"	338.137993	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+NH4+HCOOH"	64.039293
"1187419"	114.355451333333	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+3Na"	68.967654
"1653302"	343.093388	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Na+HCOOH"	68.994688
"159432"	625.11644	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+2K-H"	76.91904
"608837"	899.21514	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+2K-H"	76.91904
"1095901"	351.01774	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2K-H"	76.91904
"148345"	313.061858	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"2M+2K"	77.926316
"591186"	450.111208	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"3M+2K"	77.926316
"1076791"	176.012508	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2K"	77.926316
"1111460"	353.032292	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2K+H"	78.933592
"1345294"	353.119907	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+DMSO+H"	79.021207
"1008353"	357.159076	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2ACN+H"	83.060376
"1524331"	358.152708	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+IsoProp+Na+H"	84.054008
"991105"	179.083176	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+2ACN+2H"	84.067652
"1589619"	359.067328	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+K+HCOOH"	84.968628
"1414425"	389.098838	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+H+CF3COOH"	115.000138
"1149948"	199.596451	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+3ACN+2H"	125.094202
"1706068"	406.125385	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+NH4+CF3COOH"	132.026685
"1642811"	411.08078	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+Na+CF3COOH"	136.98208
"1577369"	427.05472	"C20820"	"23-Dihydrothienamycin"	"C11H18N2O4S"	"274.0987"	"M+K+CF3COOH"	152.95602
"803722"	167.0582	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M"	0
"975796"	148.03981	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-H2O-H"	-19.01839
"65497"	110.364857333333	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M-3H"	-3.021828
"505056"	166.050924	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M-3H"	-3.021828
"889056"	54.6787906666667	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-3H"	-3.021828
"9817"	166.050924	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M-2H"	-2.014552
"449382"	249.580024	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M-2H"	-2.014552
"828279"	82.521824	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-2H"	-2.014552
"88270"	333.109124	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M-H"	-1.007276
"527833"	500.167324	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M-H"	-1.007276
"906729"	166.050924	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-H"	-1.007276
"57824"	350.135671	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M-2H+NH4"	16.019271
"495199"	517.193871	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M-2H+NH4"	16.019271
"869718"	183.077471	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-2H+NH4"	16.019271
"38711"	355.091066	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M-2H+Na"	20.974666
"473897"	522.149266	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M-2H+Na"	20.974666
"860446"	188.032866	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-2H+Na"	20.974666
"1623419"	188.032866	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Na-2H"	20.974666
"97757"	184.039263	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M-H+Cl"	33.962126
"534606"	267.568363	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M-H+Cl"	33.962126
"929014"	100.510163	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-H+Cl"	33.962126
"269760"	369.085802	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+Cl"	34.969402
"664012"	536.144002	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+Cl"	34.969402
"1276049"	202.027602	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Cl"	34.969402
"18973"	371.065006	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M-2H+K"	36.948606
"457803"	538.123206	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M-2H+K"	36.948606
"834150"	204.006806	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-2H+K"	36.948606
"1557638"	204.006806	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+K-2H"	36.948606
"943330"	212.056394	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-H+HCOOH"	44.998194
"361471"	379.114601	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+HCOOH-H"	44.998201
"346269"	393.130251	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+Hac-H"	59.013851
"1493400"	226.072051	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Hac-H"	59.013851
"958556"	234.038351	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-H+NaCOOH"	66.980151
"110252"	202.027602	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+2Cl"	69.938804
"550093"	285.556702	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+2Cl"	69.938804
"1021378"	118.498502	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2Cl"	69.938804
"1242042"	245.977085	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Br"	78.918885
"1304367"	248.033072	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Cl+HCOOH"	80.974872
"1320786"	270.015029	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Cl+NaCOOH"	102.956829
"924966"	280.043786	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M-H+CF3COOH"	112.985586
"1300585"	316.020464	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Cl+CF3COOH"	148.962264
"1369269"	132.045524	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H-2H2O"	-35.012676
"1391870"	150.0555	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H-H2O"	-17.0027
"284998"	335.123676	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+H"	1.007276
"682886"	502.181876	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+H"	1.007276
"1359235"	168.065476	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H"	1.007276
"137228"	168.065476	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+2H"	2.014552
"577885"	251.594576	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+2H"	2.014552
"1049965"	84.536376	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2H"	2.014552
"218599"	112.379409333333	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+3H"	3.021828
"659132"	168.065476	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+3H"	3.021828
"1176891"	56.6933426666667	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+3H"	3.021828
"434817"	352.150223	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+NH4"	18.033823
"799095"	519.208423	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+NH4"	18.033823
"1694332"	185.092023	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+NH4"	18.033823
"345652"	176.5787495	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+H+NH4"	19.041099
"738273"	260.1078495	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+H+NH4"	19.041099
"1488852"	93.0496495	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H+NH4"	19.041099
"400972"	357.105618	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+Na"	22.989218
"761965"	524.163818	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+Na"	22.989218
"1611157"	190.047418	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Na"	22.989218
"321195"	179.056447	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+H+Na"	23.996494
"715803"	262.585547	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+H+Na"	23.996494
"1469625"	95.527347	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H+Na"	23.996494
"1065058"	64.0206566666667	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2H+Na"	25.00377
"1264549"	200.091686	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+CH3OH+H"	33.033486
"390052"	373.079558	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+K"	38.963158
"743027"	540.137758	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+K"	38.963158
"1547264"	206.021358	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+K"	38.963158
"305535"	187.043417	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+H+K"	39.970434
"697957"	270.572517	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+H+K"	39.970434
"1450683"	103.514317	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H+K"	39.970434
"237825"	376.150226	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+ACN+H"	42.033826
"1214179"	209.092026	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+ACN+H"	42.033826
"1195512"	105.049651	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+ACN+2H"	43.041102
"193121"	379.08756	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+2Na-H"	44.97116
"629153"	546.14576	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+2Na-H"	44.97116
"1132538"	212.02936	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2Na-H"	44.97116
"173398"	190.047418	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+2Na"	45.978436
"613074"	273.576518	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+2Na"	45.978436
"1119262"	106.518318	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2Na"	45.978436
"1406068"	71.3479706666667	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H+2Na"	46.985712
"1431012"	214.070946	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H+HCOOH"	47.012746
"220590"	195.08044	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+3H2O+2H"	56.04448
"1508601"	228.12299	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+IsoProp+H"	61.06479
"409802"	198.034388	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+Na+K"	61.952376
"771891"	281.563488	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+Na+K"	61.952376
"1670045"	114.505288	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Na+K"	61.952376
"253650"	398.132168	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+ACN+Na"	64.015768
"1229639"	231.073968	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+ACN+Na"	64.015768
"1717433"	231.097493	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+NH4+HCOOH"	64.039293
"1183153"	78.6752846666667	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+3Na"	68.967654
"1655598"	236.052888	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Na+HCOOH"	68.994688
"165376"	411.03544	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+2K-H"	76.91904
"603115"	578.09364	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+2K-H"	76.91904
"1093824"	243.97724	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2K-H"	76.91904
"147361"	206.021358	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"2M+2K"	77.926316
"583033"	289.550458	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"3M+2K"	77.926316
"1076901"	122.492258	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2K"	77.926316
"1109019"	245.991792	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2K+H"	78.933592
"1344311"	246.079407	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+DMSO+H"	79.021207
"1011745"	250.118576	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2ACN+H"	83.060376
"1524888"	251.112208	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+IsoProp+Na+H"	84.054008
"993039"	125.562926	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+2ACN+2H"	84.067652
"1588148"	252.026828	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+K+HCOOH"	84.968628
"1415873"	282.058338	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+H+CF3COOH"	115.000138
"1150058"	146.076201	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+3ACN+2H"	125.094202
"1706178"	299.084885	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+NH4+CF3COOH"	132.026685
"1642921"	304.04028	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+Na+CF3COOH"	136.98208
"1577479"	320.01422	"C20821"	"C20821;Carbapenem biosynthesis intermediate 6"	"C8H9NO3"	"167.0582"	"M+K+CF3COOH"	152.95602
"802376"	242.0725	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M"	0
"978094"	223.05411	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-H2O-H"	-19.01839
"70710"	160.374390666667	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M-3H"	-3.021828
"505895"	241.065224	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M-3H"	-3.021828
"890262"	79.6835573333333	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-3H"	-3.021828
"9931"	241.065224	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M-2H"	-2.014552
"451680"	362.101474	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M-2H"	-2.014552
"828390"	120.028974	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-2H"	-2.014552
"93486"	483.137724	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M-H"	-1.007276
"529037"	725.210224	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M-H"	-1.007276
"902467"	241.065224	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-H"	-1.007276
"56842"	500.164271	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M-2H+NH4"	16.019271
"496403"	742.236771	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M-2H+NH4"	16.019271
"870923"	258.091771	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-2H+NH4"	16.019271
"44292"	505.119666	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M-2H+Na"	20.974666
"472671"	747.192166	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M-2H+Na"	20.974666
"850717"	263.047166	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-2H+Na"	20.974666
"1625718"	263.047166	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Na-2H"	20.974666
"94668"	259.053563	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M-H+Cl"	33.962126
"537796"	380.089813	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M-H+Cl"	33.962126
"930948"	138.017313	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-H+Cl"	33.962126
"269142"	519.114402	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+Cl"	34.969402
"661935"	761.186902	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+Cl"	34.969402
"1275064"	277.041902	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Cl"	34.969402
"20176"	521.093606	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M-2H+K"	36.948606
"457550"	763.166106	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M-2H+K"	36.948606
"835353"	279.021106	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-2H+K"	36.948606
"1558841"	279.021106	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+K-2H"	36.948606
"944536"	287.070694	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-H+HCOOH"	44.998194
"362381"	529.143201	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+HCOOH-H"	44.998201
"346256"	543.158851	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+Hac-H"	59.013851
"1493390"	301.086351	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Hac-H"	59.013851
"958909"	309.052651	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-H+NaCOOH"	66.980151
"110032"	277.041902	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+2Cl"	69.938804
"550120"	398.078152	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+2Cl"	69.938804
"1021409"	156.005652	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2Cl"	69.938804
"1241367"	320.991385	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Br"	78.918885
"1304275"	323.047372	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Cl+HCOOH"	80.974872
"1321624"	345.029329	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Cl+NaCOOH"	102.956829
"921796"	355.058086	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M-H+CF3COOH"	112.985586
"1298507"	391.034764	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Cl+CF3COOH"	148.962264
"1371202"	207.059824	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H-2H2O"	-35.012676
"1388699"	225.0698	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H-H2O"	-17.0027
"288388"	485.152276	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+H"	1.007276
"682996"	727.224776	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+H"	1.007276
"1356065"	243.079776	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H"	1.007276
"137702"	243.079776	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+2H"	2.014552
"578725"	364.116026	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+2H"	2.014552
"1050078"	122.043526	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2H"	2.014552
"216519"	162.388942666667	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+3H"	3.021828
"656082"	243.079776	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+3H"	3.021828
"1170558"	81.6981093333333	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+3H"	3.021828
"433832"	502.178823	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+NH4"	18.033823
"793735"	744.251323	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+NH4"	18.033823
"1694806"	260.106323	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+NH4"	18.033823
"343448"	251.5930495	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+H+NH4"	19.041099
"736600"	372.6292995	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+H+NH4"	19.041099
"1488962"	130.5567995	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H+NH4"	19.041099
"402175"	507.134218	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+Na"	22.989218
"764262"	749.206718	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+Na"	22.989218
"1612360"	265.061718	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Na"	22.989218
"319116"	254.070747	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+H+Na"	23.996494
"715913"	375.106997	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+H+Na"	23.996494
"1466453"	133.034497	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H+Na"	23.996494
"1060794"	89.0254233333333	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2H+Na"	25.00377
"1265752"	275.105986	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+CH3OH+H"	33.033486
"384329"	523.108158	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+K"	38.963158
"744229"	765.180658	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+K"	38.963158
"1545188"	281.035658	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+K"	38.963158
"305646"	262.057717	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+H+K"	39.970434
"699160"	383.093967	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+H+K"	39.970434
"1456260"	141.021467	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H+K"	39.970434
"237936"	526.178826	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+ACN+H"	42.033826
"1213196"	284.106326	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+ACN+H"	42.033826
"1196351"	142.556801	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+ACN+2H"	43.041102
"192503"	529.11616	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+2Na-H"	44.97116
"629141"	771.18866	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+2Na-H"	44.97116
"1133017"	287.04366	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2Na-H"	44.97116
"174605"	265.061718	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+2Na"	45.978436
"613432"	386.097968	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+2Na"	45.978436
"1117548"	144.025468	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2Na"	45.978436
"1401803"	96.3527373333333	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H+2Na"	46.985712
"1430436"	289.085246	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H+HCOOH"	47.012746
"220578"	270.09474	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+3H2O+2H"	56.04448
"1508998"	303.13729	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+IsoProp+H"	61.06479
"410641"	273.048688	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+Na+K"	61.952376
"772366"	394.084938	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+Na+K"	61.952376
"1671978"	152.012438	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Na+K"	61.952376
"255216"	548.160768	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+ACN+Na"	64.015768
"1231573"	306.088268	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+ACN+Na"	64.015768
"1719366"	306.111793	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+NH4+HCOOH"	64.039293
"1189827"	103.680051333333	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+3Na"	68.967654
"1654980"	311.067188	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Na+HCOOH"	68.994688
"168404"	561.06404	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+2K-H"	76.91904
"601039"	803.13654	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+2K-H"	76.91904
"1091748"	318.99154	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2K-H"	76.91904
"145284"	281.035658	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"2M+2K"	77.926316
"582782"	402.071908	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"3M+2K"	77.926316
"1070452"	159.999408	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2K"	77.926316
"1102568"	321.006092	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2K+H"	78.933592
"1344420"	321.093707	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+DMSO+H"	79.021207
"1009668"	325.132876	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2ACN+H"	83.060376
"1525972"	326.126508	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+IsoProp+Na+H"	84.054008
"993149"	163.070076	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+2ACN+2H"	84.067652
"1589838"	327.041128	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+K+HCOOH"	84.968628
"1414767"	357.072638	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+H+CF3COOH"	115.000138
"1147613"	183.583351	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+3ACN+2H"	125.094202
"1706288"	374.099185	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+NH4+CF3COOH"	132.026685
"1643031"	379.05458	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+Na+CF3COOH"	136.98208
"1577589"	395.02852	"C20822"	"C20822;Carbapenem biosynthesis intermediate 3"	"C10H14N2O3S"	"242.0725"	"M+K+CF3COOH"	152.95602
"802486"	256.0882	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M"	0
"978204"	237.06981	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-H2O-H"	-19.01839
"70820"	169.718190666667	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M-3H"	-3.021828
"509286"	255.080924	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M-3H"	-3.021828
"892560"	84.3554573333333	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-3H"	-3.021828
"10042"	255.080924	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M-2H"	-2.014552
"452885"	383.125024	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M-2H"	-2.014552
"831298"	127.036824	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-2H"	-2.014552
"90681"	511.169124	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M-H"	-1.007276
"522586"	767.257324	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M-H"	-1.007276
"900389"	255.080924	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-H"	-1.007276
"55858"	528.195671	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M-2H+NH4"	16.019271
"495419"	784.283871	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M-2H+NH4"	16.019271
"873221"	272.107471	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-2H+NH4"	16.019271
"42215"	533.151066	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M-2H+Na"	20.974666
"475579"	789.239266	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M-2H+Na"	20.974666
"853380"	277.062866	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-2H+Na"	20.974666
"1621454"	277.062866	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Na-2H"	20.974666
"94531"	273.069263	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M-H+Cl"	33.962126
"539001"	401.113363	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M-H+Cl"	33.962126
"929965"	145.025163	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-H+Cl"	33.962126
"268523"	547.145802	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+Cl"	34.969402
"661676"	803.234002	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+Cl"	34.969402
"1273392"	291.057602	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Cl"	34.969402
"17733"	549.125006	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M-2H+K"	36.948606
"456439"	805.213206	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M-2H+K"	36.948606
"834369"	293.036806	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-2H+K"	36.948606
"1556396"	293.036806	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+K-2H"	36.948606
"942993"	301.086394	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-H+HCOOH"	44.998194
"361473"	557.174601	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+HCOOH-H"	44.998201
"346126"	571.190251	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+Hac-H"	59.013851
"1493500"	315.102051	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Hac-H"	59.013851
"958769"	323.068351	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-H+NaCOOH"	66.980151
"110084"	291.057602	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+2Cl"	69.938804
"550163"	419.101702	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+2Cl"	69.938804
"1021406"	163.013502	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2Cl"	69.938804
"1241654"	335.007085	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Br"	78.918885
"1304708"	337.063072	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Cl+HCOOH"	80.974872
"1321370"	359.045029	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Cl+NaCOOH"	102.956829
"921906"	369.073786	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M-H+CF3COOH"	112.985586
"1299710"	405.050464	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Cl+CF3COOH"	148.962264
"1373498"	221.075524	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H-2H2O"	-35.012676
"1385530"	239.0855	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H-H2O"	-17.0027
"288498"	513.183676	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+H"	1.007276
"683106"	769.271876	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+H"	1.007276
"1356175"	257.095476	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H"	1.007276
"132344"	257.095476	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+2H"	2.014552
"578467"	385.139576	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+2H"	2.014552
"1050187"	129.051376	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2H"	2.014552
"216262"	171.732742666667	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+3H"	3.021828
"652542"	257.095476	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+3H"	3.021828
"1175772"	86.3700093333333	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+3H"	3.021828
"438314"	530.210223	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+NH4"	18.033823
"793843"	786.298423	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+NH4"	18.033823
"1689080"	274.122023	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+NH4"	18.033823
"344285"	265.6087495	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+H+NH4"	19.041099
"731969"	393.6528495	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+H+NH4"	19.041099
"1484696"	137.5646495	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H+NH4"	19.041099
"397909"	535.165618	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+Na"	22.989218
"759997"	791.253818	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+Na"	22.989218
"1609188"	279.077418	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Na"	22.989218
"320319"	268.086447	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+H+Na"	23.996494
"714930"	396.130547	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+H+Na"	23.996494
"1467656"	140.042347	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H+Na"	23.996494
"1059811"	93.6973233333333	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2H+Na"	25.00377
"1266956"	289.121686	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+CH3OH+H"	33.033486
"384441"	551.139558	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+K"	38.963158
"743247"	807.227758	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+K"	38.963158
"1542383"	295.051358	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+K"	38.963158
"302477"	276.073417	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+H+K"	39.970434
"692343"	404.117517	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+H+K"	39.970434
"1456371"	148.029317	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H+K"	39.970434
"239139"	554.210226	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+ACN+H"	42.033826
"1211119"	298.122026	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+ACN+H"	42.033826
"1195368"	149.564651	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+ACN+2H"	43.041102
"193344"	557.14756	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+2Na-H"	44.97116
"628583"	813.23576	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+2Na-H"	44.97116
"1134585"	301.05936	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2Na-H"	44.97116
"174594"	279.077418	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+2Na"	45.978436
"619258"	407.121518	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+2Na"	45.978436
"1120575"	151.033318	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2Na"	45.978436
"1403006"	101.024637333333	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H+2Na"	46.985712
"1430011"	303.100946	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H+HCOOH"	47.012746
"220278"	284.11044	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+3H2O+2H"	56.04448
"1508661"	317.15299	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+IsoProp+H"	61.06479
"408796"	287.064388	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+Na+K"	61.952376
"769993"	415.108488	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+Na+K"	61.952376
"1669899"	159.020288	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Na+K"	61.952376
"252408"	576.192168	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+ACN+Na"	64.015768
"1232048"	320.103968	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+ACN+Na"	64.015768
"1713641"	320.127493	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+NH4+HCOOH"	64.039293
"1183007"	108.351951333333	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+3Na"	68.967654
"1652538"	325.082888	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Na+HCOOH"	68.994688
"163408"	589.09544	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+2K-H"	76.91904
"600054"	845.18364	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+2K-H"	76.91904
"1087847"	333.00724	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2K-H"	76.91904
"141579"	295.051358	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"2M+2K"	77.926316
"581834"	423.095458	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"3M+2K"	77.926316
"1072748"	167.007258	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2K"	77.926316
"1100038"	335.021792	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2K+H"	78.933592
"1336511"	335.109407	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+DMSO+H"	79.021207
"1005927"	339.148576	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2ACN+H"	83.060376
"1524249"	340.142208	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+IsoProp+Na+H"	84.054008
"990173"	170.077926	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+2ACN+2H"	84.067652
"1587883"	341.056828	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+K+HCOOH"	84.968628
"1415242"	371.088338	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+H+CF3COOH"	115.000138
"1149183"	190.591201	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+3ACN+2H"	125.094202
"1706398"	388.114885	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+NH4+CF3COOH"	132.026685
"1643141"	393.07028	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+Na+CF3COOH"	136.98208
"1577699"	409.04422	"C20823"	"C20823;Carbapenem biosynthesis intermediate 4"	"C11H16N2O3S"	"256.0882"	"M+K+CF3COOH"	152.95602
"811344"	275.0582	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M"	0
"978316"	256.03981	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-H2O-H"	-19.01839
"70930"	182.364857333333	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M-3H"	-3.021828
"512677"	274.050924	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M-3H"	-3.021828
"891576"	90.6787906666667	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-3H"	-3.021828
"9058"	274.050924	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M-2H"	-2.014552
"451900"	411.580024	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M-2H"	-2.014552
"832615"	136.521824	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-2H"	-2.014552
"92493"	549.109124	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M-H"	-1.007276
"527072"	824.167324	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M-H"	-1.007276
"904875"	274.050924	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-H"	-1.007276
"59249"	566.135671	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M-2H+NH4"	16.019271
"499903"	841.193871	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M-2H+NH4"	16.019271
"878676"	291.077471	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-2H+NH4"	16.019271
"45484"	571.091066	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M-2H+Na"	20.974666
"482980"	846.149266	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M-2H+Na"	20.974666
"859689"	296.032866	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-2H+Na"	20.974666
"1632017"	296.032866	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Na-2H"	20.974666
"100648"	292.039263	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M-H+Cl"	33.962126
"540939"	429.568363	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M-H+Cl"	33.962126
"934454"	154.510163	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-H+Cl"	33.962126
"271918"	585.085802	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+Cl"	34.969402
"661178"	860.144002	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+Cl"	34.969402
"1277839"	310.027602	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Cl"	34.969402
"19303"	587.065006	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M-2H+K"	36.948606
"461052"	862.123206	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M-2H+K"	36.948606
"835571"	312.006806	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-2H+K"	36.948606
"1557965"	312.006806	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+K-2H"	36.948606
"944025"	320.056394	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-H+HCOOH"	44.998194
"361874"	595.114601	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+HCOOH-H"	44.998201
"347215"	609.130251	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+Hac-H"	59.013851
"1493732"	334.072051	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Hac-H"	59.013851
"959577"	342.038351	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-H+NaCOOH"	66.980151
"111154"	310.027602	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+2Cl"	69.938804
"551325"	447.556702	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+2Cl"	69.938804
"1022312"	172.498502	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2Cl"	69.938804
"1241765"	353.977085	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Br"	78.918885
"1306900"	356.033072	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Cl+HCOOH"	80.974872
"1324397"	378.015029	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Cl+NaCOOH"	102.956829
"913268"	388.043786	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M-H+CF3COOH"	112.985586
"1299820"	424.020464	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Cl+CF3COOH"	148.962264
"1372517"	240.045524	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H-2H2O"	-35.012676
"1388919"	258.0555	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H-H2O"	-17.0027
"285328"	551.123676	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+H"	1.007276
"683216"	826.181876	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+H"	1.007276
"1359566"	276.065476	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H"	1.007276
"137922"	276.065476	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+2H"	2.014552
"578578"	413.594576	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+2H"	2.014552
"1050909"	138.536376	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2H"	2.014552
"215279"	184.379409333333	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+3H"	3.021828
"651560"	276.065476	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+3H"	3.021828
"1168593"	92.6933426666667	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+3H"	3.021828
"436238"	568.150223	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+NH4"	18.033823
"796143"	843.208423	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+NH4"	18.033823
"1685913"	293.092023	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+NH4"	18.033823
"341845"	284.5787495	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+H+NH4"	19.041099
"732081"	422.1078495	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+H+NH4"	19.041099
"1486995"	147.0496495	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H+NH4"	19.041099
"402393"	573.105618	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+Na"	22.989218
"762294"	848.163818	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+Na"	22.989218
"1612579"	298.047418	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Na"	22.989218
"317149"	287.056447	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+H+Na"	23.996494
"713946"	424.585547	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+H+Na"	23.996494
"1471047"	149.527347	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H+Na"	23.996494
"1056641"	100.020656666667	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2H+Na"	25.00377
"1264881"	308.091686	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+CH3OH+H"	33.033486
"384550"	589.079558	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+K"	38.963158
"743356"	864.137758	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+K"	38.963158
"1545411"	314.021358	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+K"	38.963158
"304775"	295.043417	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+H+K"	39.970434
"696101"	432.572517	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+H+K"	39.970434
"1455389"	157.514317	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H+K"	39.970434
"238886"	592.150226	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+ACN+H"	42.033826
"1215604"	317.092026	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+ACN+H"	42.033826
"1195478"	159.049651	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+ACN+2H"	43.041102
"191630"	595.08756	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+2Na-H"	44.97116
"629483"	870.14576	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+2Na-H"	44.97116
"1131774"	320.02936	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2Na-H"	44.97116
"173240"	298.047418	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+2Na"	45.978436
"614264"	435.576518	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+2Na"	45.978436
"1116919"	160.518318	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2Na"	45.978436
"1399957"	107.347970666667	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H+2Na"	46.985712
"1430034"	322.070946	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H+HCOOH"	47.012746
"220149"	303.08044	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+3H2O+2H"	56.04448
"1508965"	336.12299	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+IsoProp+H"	61.06479
"409138"	306.034388	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+Na+K"	61.952376
"770637"	443.563488	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+Na+K"	61.952376
"1666729"	168.505288	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Na+K"	61.952376
"252885"	614.132168	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+ACN+Na"	64.015768
"1229238"	339.073968	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+ACN+Na"	64.015768
"1717398"	339.097493	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+NH4+HCOOH"	64.039293
"1183484"	114.675284666667	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+3Na"	68.967654
"1650540"	344.052888	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Na+HCOOH"	68.994688
"165708"	627.03544	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+2K-H"	76.91904
"603811"	902.09364	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+2K-H"	76.91904
"1090875"	351.97724	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2K-H"	76.91904
"146597"	314.021358	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"2M+2K"	77.926316
"585064"	451.550458	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"3M+2K"	77.926316
"1075045"	176.492258	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2K"	77.926316
"1103882"	353.991792	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2K+H"	78.933592
"1341360"	354.079407	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+DMSO+H"	79.021207
"1005871"	358.118576	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2ACN+H"	83.060376
"1524526"	359.112208	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+IsoProp+Na+H"	84.054008
"990121"	179.562926	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+2ACN+2H"	84.067652
"1587340"	360.026828	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+K+HCOOH"	84.968628
"1414381"	390.058338	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+H+CF3COOH"	115.000138
"1150388"	200.076201	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+3ACN+2H"	125.094202
"1708694"	407.084885	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+NH4+CF3COOH"	132.026685
"1639971"	412.04028	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+Na+CF3COOH"	136.98208
"1577809"	428.01422	"C20824"	"3-Nitrobenzanthrone;3-Nitro-7H-benzodeanthracen-7-one"	"C17H9NO3"	"275.0582"	"M+K+CF3COOH"	152.95602
"804894"	245.1627	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M"	0
"975146"	226.14431	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-H2O-H"	-19.01839
"65574"	162.434524	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M-3H"	-3.021828
"508417"	244.155424	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M-3H"	-3.021828
"886218"	80.713624	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-3H"	-3.021828
"4794"	244.155424	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M-2H"	-2.014552
"445449"	366.736774	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M-2H"	-2.014552
"824345"	121.574074	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-2H"	-2.014552
"88715"	489.318124	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M-H"	-1.007276
"527183"	734.480824	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M-H"	-1.007276
"909358"	244.155424	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-H"	-1.007276
"61912"	506.344671	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M-2H+NH4"	16.019271
"502405"	751.507371	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M-2H+NH4"	16.019271
"879393"	261.181971	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-2H+NH4"	16.019271
"36237"	511.300066	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M-2H+Na"	20.974666
"475433"	756.462766	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M-2H+Na"	20.974666
"851047"	266.137366	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-2H+Na"	20.974666
"1622039"	266.137366	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Na-2H"	20.974666
"97841"	262.143763	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M-H+Cl"	33.962126
"541410"	384.725113	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M-H+Cl"	33.962126
"929098"	139.562413	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-H+Cl"	33.962126
"270206"	525.294802	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+Cl"	34.969402
"664453"	770.457502	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+Cl"	34.969402
"1277949"	280.132102	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Cl"	34.969402
"18320"	527.274006	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M-2H+K"	36.948606
"465538"	772.436706	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M-2H+K"	36.948606
"840058"	282.111306	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-2H+K"	36.948606
"1560264"	282.111306	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+K-2H"	36.948606
"944866"	290.160894	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-H+HCOOH"	44.998194
"365268"	535.323601	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+HCOOH-H"	44.998201
"345984"	549.339251	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+Hac-H"	59.013851
"1492994"	304.176551	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Hac-H"	59.013851
"960176"	312.142851	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-H+NaCOOH"	66.980151
"110662"	280.132102	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+2Cl"	69.938804
"550462"	402.713452	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+2Cl"	69.938804
"1021488"	157.550752	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2Cl"	69.938804
"1243465"	324.081585	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Br"	78.918885
"1313572"	326.137572	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Cl+HCOOH"	80.974872
"1324507"	348.119529	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Cl+NaCOOH"	102.956829
"924317"	358.148286	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M-H+CF3COOH"	112.985586
"1299932"	394.124964	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Cl+CF3COOH"	148.962264
"1375907"	210.150024	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H-2H2O"	-35.012676
"1385022"	228.16	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H-H2O"	-17.0027
"293094"	491.332676	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+H"	1.007276
"686607"	736.495376	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+H"	1.007276
"1356394"	246.169976	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H"	1.007276
"140220"	246.169976	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+2H"	2.014552
"581119"	368.751326	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+2H"	2.014552
"1051863"	123.588626	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2H"	2.014552
"217940"	164.449076	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+3H"	3.021828
"659200"	246.169976	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+3H"	3.021828
"1173075"	82.728176	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+3H"	3.021828
"438905"	508.359223	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+NH4"	18.033823
"792973"	753.521923	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+NH4"	18.033823
"1691490"	263.196523	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+NH4"	18.033823
"338673"	254.6832495	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+H+NH4"	19.041099
"732191"	377.2645995	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+H+NH4"	19.041099
"1490021"	132.1018995	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H+NH4"	19.041099
"404690"	513.314618	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+Na"	22.989218
"762404"	758.477318	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+Na"	22.989218
"1608315"	268.151918	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Na"	22.989218
"323819"	257.160947	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+H+Na"	23.996494
"717337"	379.742297	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+H+Na"	23.996494
"1472252"	134.579597	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H+Na"	23.996494
"1062216"	90.05549	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2H+Na"	25.00377
"1264991"	278.196186	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+CH3OH+H"	33.033486
"380281"	529.288558	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+K"	38.963158
"740184"	774.451258	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+K"	38.963158
"1546613"	284.125858	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+K"	38.963158
"301965"	265.147917	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+H+K"	39.970434
"699490"	387.729267	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+H+K"	39.970434
"1451124"	142.566567	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H+K"	39.970434
"238994"	532.359226	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+ACN+H"	42.033826
"1212434"	287.196526	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+ACN+H"	42.033826
"1195953"	144.101901	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+ACN+2H"	43.041102
"192104"	535.29656	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+2Na-H"	44.97116
"629111"	780.45926	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+2Na-H"	44.97116
"1132619"	290.13386	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2Na-H"	44.97116
"173475"	268.151918	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+2Na"	45.978436
"614493"	390.733268	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+2Na"	45.978436
"1117026"	145.570568	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2Na"	45.978436
"1400678"	97.382804	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H+2Na"	46.985712
"1430360"	292.175446	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H+HCOOH"	47.012746
"220778"	273.18494	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+3H2O+2H"	56.04448
"1509085"	306.22749	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+IsoProp+H"	61.06479
"409259"	276.138888	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+Na+K"	61.952376
"770870"	398.720238	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+Na+K"	61.952376
"1668297"	153.557538	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Na+K"	61.952376
"253725"	554.341168	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+ACN+Na"	64.015768
"1229715"	309.178468	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+ACN+Na"	64.015768
"1714955"	309.201993	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+NH4+HCOOH"	64.039293
"1181405"	104.710118	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+3Na"	68.967654
"1654945"	314.157388	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Na+HCOOH"	68.994688
"165818"	567.24444	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+2K-H"	76.91904
"598819"	812.40714	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+2K-H"	76.91904
"1090985"	322.08174	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2K-H"	76.91904
"146709"	284.125858	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"2M+2K"	77.926316
"582987"	406.707208	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"3M+2K"	77.926316
"1068875"	161.544508	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2K"	77.926316
"1099974"	324.096292	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2K+H"	78.933592
"1336487"	324.183907	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+DMSO+H"	79.021207
"1006096"	328.223076	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2ACN+H"	83.060376
"1527031"	329.216708	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+IsoProp+Na+H"	84.054008
"990562"	164.615176	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+2ACN+2H"	84.067652
"1587060"	330.131328	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+K+HCOOH"	84.968628
"1416930"	360.162838	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+H+CF3COOH"	115.000138
"1148069"	185.128451	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+3ACN+2H"	125.094202
"1705526"	377.189385	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+NH4+CF3COOH"	132.026685
"1641176"	382.14478	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+Na+CF3COOH"	136.98208
"1584481"	398.11872	"C20826"	"Isovalerylcarnitine;O-Isovaleryl-L-carnitine"	"C12H23NO4"	"245.1627"	"M+K+CF3COOH"	152.95602
"805004"	118.063	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M"	0
"975256"	99.04461	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-H2O-H"	-19.01839
"64590"	77.7013906666667	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M-3H"	-3.021828
"508526"	117.055724	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M-3H"	-3.021828
"887421"	38.3470573333333	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-3H"	-3.021828
"7089"	117.055724	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M-2H"	-2.014552
"447745"	176.087224	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M-2H"	-2.014552
"824455"	58.024224	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-2H"	-2.014552
"91010"	235.118724	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M-H"	-1.007276
"530572"	353.181724	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M-H"	-1.007276
"908982"	117.055724	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-H"	-1.007276
"61292"	252.145271	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M-2H+NH4"	16.019271
"501460"	370.208271	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M-2H+NH4"	16.019271
"876828"	134.082271	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-2H+NH4"	16.019271
"37077"	257.100666	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M-2H+Na"	20.974666
"475908"	375.163666	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M-2H+Na"	20.974666
"856625"	139.037666	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-2H+Na"	20.974666
"1624337"	139.037666	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Na-2H"	20.974666
"103784"	135.044063	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M-H+Cl"	33.962126
"539698"	194.075563	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M-H+Cl"	33.962126
"929208"	76.012563	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-H+Cl"	33.962126
"268856"	271.095402	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+Cl"	34.969402
"672218"	389.158402	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+Cl"	34.969402
"1283527"	153.032402	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Cl"	34.969402
"18430"	273.074606	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M-2H+K"	36.948606
"462365"	391.137606	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M-2H+K"	36.948606
"836886"	155.011606	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-2H+K"	36.948606
"1558184"	155.011606	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+K-2H"	36.948606
"943515"	163.061194	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-H+HCOOH"	44.998194
"371940"	281.124201	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+HCOOH-H"	44.998201
"348168"	295.139851	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+Hac-H"	59.013851
"1494813"	177.076851	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Hac-H"	59.013851
"958943"	185.043151	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-H+NaCOOH"	66.980151
"110767"	153.032402	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+2Cl"	69.938804
"552035"	212.063902	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+2Cl"	69.938804
"1027277"	94.000902	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2Cl"	69.938804
"1245763"	196.981885	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Br"	78.918885
"1318057"	199.037872	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Cl+HCOOH"	80.974872
"1334825"	221.019829	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Cl+NaCOOH"	102.956829
"924428"	231.048586	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M-H+CF3COOH"	112.985586
"1302957"	267.025264	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Cl+CF3COOH"	148.962264
"1376017"	83.050324	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H-2H2O"	-35.012676
"1388047"	101.0603	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H-H2O"	-17.0027
"295756"	237.133276	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+H"	1.007276
"683436"	355.196276	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+H"	1.007276
"1358691"	119.070276	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H"	1.007276
"135956"	119.070276	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+2H"	2.014552
"580621"	178.101776	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+2H"	2.014552
"1050885"	60.038776	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2H"	2.014552
"218050"	79.7159426666667	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+3H"	3.021828
"657612"	119.070276	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+3H"	3.021828
"1173186"	40.3616093333333	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+3H"	3.021828
"432085"	254.159823	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+NH4"	18.033823
"799282"	372.222823	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+NH4"	18.033823
"1695246"	136.096823	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+NH4"	18.033823
"336597"	127.5835495	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+H+NH4"	19.041099
"732300"	186.6150495	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+H+NH4"	19.041099
"1489036"	68.5520495	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H+NH4"	19.041099
"405893"	259.115218	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+Na"	22.989218
"766159"	377.178218	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+Na"	22.989218
"1608426"	141.052218	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Na"	22.989218
"322837"	130.061247	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+H+Na"	23.996494
"717447"	189.092747	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+H+Na"	23.996494
"1474913"	71.029747	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H+Na"	23.996494
"1060136"	47.6889233333333	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2H+Na"	25.00377
"1268380"	151.096486	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+CH3OH+H"	33.033486
"383674"	275.089158	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+K"	38.963158
"745763"	393.152158	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+K"	38.963158
"1546724"	157.026158	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+K"	38.963158
"299400"	138.048217	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+H+K"	39.970434
"695955"	197.079717	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+H+K"	39.970434
"1449048"	79.016717	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H+K"	39.970434
"238740"	278.159826	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+ACN+H"	42.033826
"1211693"	160.096826	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+ACN+H"	42.033826
"1199710"	80.552051	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+ACN+2H"	43.041102
"192581"	281.09716	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+2Na-H"	44.97116
"630194"	399.16016	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+2Na-H"	44.97116
"1132484"	163.03416	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2Na-H"	44.97116
"173502"	141.052218	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+2Na"	45.978436
"613992"	200.083718	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+2Na"	45.978436
"1117501"	82.020718	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2Na"	45.978436
"1399207"	55.0162373333333	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H+2Na"	46.985712
"1430345"	165.075746	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H+HCOOH"	47.012746
"221627"	146.08524	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+3H2O+2H"	56.04448
"1509315"	179.12779	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+IsoProp+H"	61.06479
"409044"	149.039188	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+Na+K"	61.952376
"770404"	208.070688	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+Na+K"	61.952376
"1666461"	90.007688	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Na+K"	61.952376
"253470"	300.141768	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+ACN+Na"	64.015768
"1229825"	182.078768	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+ACN+Na"	64.015768
"1717618"	182.102293	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+NH4+HCOOH"	64.039293
"1180058"	62.3435513333333	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+3Na"	68.967654
"1655056"	187.057688	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Na+HCOOH"	68.994688
"162646"	313.04504	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+2K-H"	76.91904
"602211"	431.10804	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+2K-H"	76.91904
"1090001"	194.98204	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2K-H"	76.91904
"149005"	157.026158	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"2M+2K"	77.926316
"584191"	216.057658	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"3M+2K"	77.926316
"1069794"	97.994658	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2K"	77.926316
"1102036"	196.996592	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2K+H"	78.933592
"1335985"	197.084207	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+DMSO+H"	79.021207
"1006206"	201.123376	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2ACN+H"	83.060376
"1526169"	202.117008	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+IsoProp+Na+H"	84.054008
"991035"	101.065326	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+2ACN+2H"	84.067652
"1587719"	203.031628	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+K+HCOOH"	84.968628
"1417040"	233.063138	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+H+CF3COOH"	115.000138
"1148788"	121.578601	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+3ACN+2H"	125.094202
"1705636"	250.089685	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+NH4+CF3COOH"	132.026685
"1640193"	255.04508	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+Na+CF3COOH"	136.98208
"1584591"	271.01902	"C20827"	"3-Hydroxyisovalerate;3-Hydroxy-3-methylbutyrate"	"C5H10O3"	"118.063"	"M+K+CF3COOH"	152.95602
"805114"	157.0739	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M"	0
"976459"	138.05551	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-H2O-H"	-19.01839
"66158"	103.708657333333	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M-3H"	-3.021828
"508636"	156.066624	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M-3H"	-3.021828
"890811"	51.3506906666667	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-3H"	-3.021828
"9386"	156.066624	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M-2H"	-2.014552
"446761"	234.603574	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M-2H"	-2.014552
"824565"	77.529674	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-2H"	-2.014552
"90027"	313.140524	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M-H"	-1.007276
"527402"	470.214424	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M-H"	-1.007276
"903017"	156.066624	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-H"	-1.007276
"60429"	330.167071	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M-2H+NH4"	16.019271
"494766"	487.240971	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M-2H+NH4"	16.019271
"875847"	173.093171	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-2H+NH4"	16.019271
"34025"	335.122466	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M-2H+Na"	20.974666
"472127"	492.196366	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M-2H+Na"	20.974666
"853455"	178.048566	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-2H+Na"	20.974666
"1619343"	178.048566	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Na-2H"	20.974666
"100614"	174.054963	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M-H+Cl"	33.962126
"536162"	252.591913	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M-H+Cl"	33.962126
"929682"	95.518013	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-H+Cl"	33.962126
"268236"	349.117202	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+Cl"	34.969402
"673057"	506.191102	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+Cl"	34.969402
"1284730"	192.043302	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Cl"	34.969402
"19997"	351.096406	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M-2H+K"	36.948606
"464661"	508.170306	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M-2H+K"	36.948606
"838089"	194.022506	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-2H+K"	36.948606
"1559387"	194.022506	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+K-2H"	36.948606
"943989"	202.072094	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-H+HCOOH"	44.998194
"372050"	359.146001	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+HCOOH-H"	44.998201
"353746"	373.161651	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+Hac-H"	59.013851
"1499297"	216.087751	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Hac-H"	59.013851
"962464"	224.054051	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-H+NaCOOH"	66.980151
"112464"	192.043302	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+2Cl"	69.938804
"556398"	270.580252	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+2Cl"	69.938804
"1021386"	113.506352	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2Cl"	69.938804
"1245873"	235.992785	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Br"	78.918885
"1318167"	238.048772	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Cl+HCOOH"	80.974872
"1333476"	260.030729	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Cl+NaCOOH"	102.956829
"923444"	270.059486	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M-H+CF3COOH"	112.985586
"1296870"	306.036164	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Cl+CF3COOH"	148.962264
"1369929"	122.061224	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H-2H2O"	-35.012676
"1388157"	140.0712	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H-H2O"	-17.0027
"286750"	315.155076	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+H"	1.007276
"682452"	472.228976	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+H"	1.007276
"1359893"	158.081176	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H"	1.007276
"136066"	158.081176	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+2H"	2.014552
"578907"	236.618126	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+2H"	2.014552
"1051720"	79.544226	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2H"	2.014552
"218888"	105.723209333333	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+3H"	3.021828
"656262"	158.081176	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+3H"	3.021828
"1172202"	53.3652426666667	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+3H"	3.021828
"434381"	332.181623	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+NH4"	18.033823
"796473"	489.255523	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+NH4"	18.033823
"1696084"	175.107723	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+NH4"	18.033823
"342173"	166.5944495	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+H+NH4"	19.041099
"733503"	245.1313995	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+H+NH4"	19.041099
"1489512"	88.0574995	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H+NH4"	19.041099
"406733"	337.137018	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+Na"	22.989218
"764811"	494.210918	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+Na"	22.989218
"1607442"	180.063118	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Na"	22.989218
"324040"	169.072147	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+H+Na"	23.996494
"717557"	247.609097	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+H+Na"	23.996494
"1472470"	90.535197	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H+Na"	23.996494
"1066808"	60.6925566666667	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2H+Na"	25.00377
"1271768"	190.107386	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+CH3OH+H"	33.033486
"377949"	353.110958	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+K"	38.963158
"741133"	510.184858	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+K"	38.963158
"1541117"	196.037058	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+K"	38.963158
"302185"	177.059117	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+H+K"	39.970434
"696794"	255.596067	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+H+K"	39.970434
"1446362"	98.522167	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H+K"	39.970434
"237756"	356.181626	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+ACN+H"	42.033826
"1211561"	199.107726	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+ACN+H"	42.033826
"1197632"	100.057501	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+ACN+2H"	43.041102
"191232"	359.11896	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+2Na-H"	44.97116
"632979"	516.19286	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+2Na-H"	44.97116
"1136120"	202.04506	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2Na-H"	44.97116
"173938"	180.063118	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+2Na"	45.978436
"614226"	258.600068	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+2Na"	45.978436
"1119920"	101.526168	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2Na"	45.978436
"1399801"	68.0198706666667	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H+2Na"	46.985712
"1430821"	204.086646	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H+HCOOH"	47.012746
"220435"	185.09614	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+3H2O+2H"	56.04448
"1508700"	218.13869	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+IsoProp+H"	61.06479
"408692"	188.050088	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+Na+K"	61.952376
"770717"	266.587038	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+Na+K"	61.952376
"1666324"	109.513138	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Na+K"	61.952376
"252605"	378.163568	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+ACN+Na"	64.015768
"1229568"	221.089668	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+ACN+Na"	64.015768
"1714809"	221.113193	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+NH4+HCOOH"	64.039293
"1181622"	75.3471846666667	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+3Na"	68.967654
"1655165"	226.068588	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Na+HCOOH"	68.994688
"163120"	391.06684	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+2K-H"	76.91904
"603413"	548.14074	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+2K-H"	76.91904
"1087924"	233.99294	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2K-H"	76.91904
"146930"	196.037058	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"2M+2K"	77.926316
"585395"	274.574008	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"3M+2K"	77.926316
"1069663"	117.500108	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2K"	77.926316
"1100440"	236.007492	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2K+H"	78.933592
"1336951"	236.095107	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+DMSO+H"	79.021207
"1005916"	240.134276	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2ACN+H"	83.060376
"1525303"	241.127908	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+IsoProp+Na+H"	84.054008
"991632"	120.570776	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+2ACN+2H"	84.067652
"1587261"	242.042528	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+K+HCOOH"	84.968628
"1417150"	272.074038	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+H+CF3COOH"	115.000138
"1148533"	141.084051	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+3ACN+2H"	125.094202
"1705746"	289.100585	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+NH4+CF3COOH"	132.026685
"1641396"	294.05598	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+Na+CF3COOH"	136.98208
"1584701"	310.02992	"C20828"	"3-Methylcrotonylglycine"	"C7H11NO3"	"157.0739"	"M+K+CF3COOH"	152.95602
"805224"	244.0253	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M"	0
"975476"	225.00691	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-H2O-H"	-19.01839
"70278"	161.676257333333	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M-3H"	-3.021828
"506559"	243.018024	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M-3H"	-3.021828
"883268"	80.3344906666667	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-3H"	-3.021828
"6218"	243.018024	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M-2H"	-2.014552
"450153"	365.030674	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M-2H"	-2.014552
"827956"	121.005374	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-2H"	-2.014552
"90137"	487.043324	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M-H"	-1.007276
"527512"	731.068624	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M-H"	-1.007276
"906407"	243.018024	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-H"	-1.007276
"60540"	504.069871	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M-2H+NH4"	16.019271
"499250"	748.095171	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M-2H+NH4"	16.019271
"875957"	260.044571	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-2H+NH4"	16.019271
"34016"	509.025266	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M-2H+Na"	20.974666
"471632"	753.050566	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M-2H+Na"	20.974666
"852107"	264.999966	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-2H+Na"	20.974666
"1621642"	264.999966	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Na-2H"	20.974666
"100724"	261.006363	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M-H+Cl"	33.962126
"535665"	383.019013	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M-H+Cl"	33.962126
"928700"	138.993713	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-H+Cl"	33.962126
"267180"	523.020002	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+Cl"	34.969402
"671343"	767.045302	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+Cl"	34.969402
"1280466"	278.994702	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Cl"	34.969402
"18650"	524.999206	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M-2H+K"	36.948606
"460398"	769.024506	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M-2H+K"	36.948606
"834917"	280.973906	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-2H+K"	36.948606
"1558404"	280.973906	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+K-2H"	36.948606
"943736"	289.023494	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-H+HCOOH"	44.998194
"368880"	533.048801	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+HCOOH-H"	44.998201
"353856"	547.064451	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+Hac-H"	59.013851
"1496127"	303.039151	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Hac-H"	59.013851
"961481"	311.005451	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-H+NaCOOH"	66.980151
"110126"	278.994702	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+2Cl"	69.938804
"554323"	401.007352	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+2Cl"	69.938804
"1021382"	156.982052	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2Cl"	69.938804
"1244890"	322.944185	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Br"	78.918885
"1317183"	325.000172	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Cl+HCOOH"	80.974872
"1334316"	346.982129	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Cl+NaCOOH"	102.956829
"923554"	357.010886	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M-H+CF3COOH"	112.985586
"1296980"	392.987564	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Cl+CF3COOH"	148.962264
"1369675"	209.012624	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H-2H2O"	-35.012676
"1387174"	227.0226	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H-H2O"	-17.0027
"286860"	489.057876	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+H"	1.007276
"683656"	733.083176	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+H"	1.007276
"1360003"	245.032576	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H"	1.007276
"135083"	245.032576	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+2H"	2.014552
"579017"	367.045226	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+2H"	2.014552
"1048912"	123.019926	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2H"	2.014552
"216813"	163.690809333333	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+3H"	3.021828
"654185"	245.032576	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+3H"	3.021828
"1175227"	82.3490426666667	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+3H"	3.021828
"433398"	506.084423	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+NH4"	18.033823
"796583"	750.109723	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+NH4"	18.033823
"1694007"	262.059123	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+NH4"	18.033823
"336817"	253.5458495	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+H+NH4"	19.041099
"730333"	375.5584995	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+H+NH4"	19.041099
"1486341"	131.5331995	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H+NH4"	19.041099
"406844"	511.039818	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+Na"	22.989218
"762735"	755.065118	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+Na"	22.989218
"1608645"	267.014518	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Na"	22.989218
"320870"	256.023547	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+H+Na"	23.996494
"717667"	378.036197	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+H+Na"	23.996494
"1469301"	134.010897	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H+Na"	23.996494
"1059269"	89.6763566666667	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2H+Na"	25.00377
"1270055"	277.058786	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+CH3OH+H"	33.033486
"377693"	527.013758	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+K"	38.963158
"740514"	771.039058	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+K"	38.963158
"1540125"	282.988458	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+K"	38.963158
"304118"	264.010517	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+H+K"	39.970434
"698727"	386.023167	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+H+K"	39.970434
"1448903"	141.997867	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H+K"	39.970434
"237866"	530.084426	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+ACN+H"	42.033826
"1210942"	286.059126	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+ACN+H"	42.033826
"1197378"	143.533201	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+ACN+2H"	43.041102
"189885"	533.02176	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+2Na-H"	44.97116
"634548"	777.04706	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+2Na-H"	44.97116
"1140242"	288.99646	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2Na-H"	44.97116
"172873"	267.014518	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+2Na"	45.978436
"613972"	389.027168	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+2Na"	45.978436
"1117480"	145.001868	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2Na"	45.978436
"1398821"	97.0036706666667	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H+2Na"	46.985712
"1430326"	291.038046	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H+HCOOH"	47.012746
"220115"	272.04754	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+3H2O+2H"	56.04448
"1509418"	305.09009	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+IsoProp+H"	61.06479
"409103"	275.001488	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+Na+K"	61.952376
"771195"	397.014138	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+Na+K"	61.952376
"1665871"	152.988838	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Na+K"	61.952376
"251987"	552.066368	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+ACN+Na"	64.015768
"1229680"	308.041068	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+ACN+Na"	64.015768
"1713829"	308.064593	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+NH4+HCOOH"	64.039293
"1179099"	104.330984666667	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+3Na"	68.967654
"1651143"	313.019988	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Na+HCOOH"	68.994688
"161772"	564.96964	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+2K-H"	76.91904
"600244"	808.99494	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+2K-H"	76.91904
"1093502"	320.94434	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2K-H"	76.91904
"145946"	282.988458	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"2M+2K"	77.926316
"585505"	405.001108	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"3M+2K"	77.926316
"1068485"	160.975808	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2K"	77.926316
"1100184"	322.958892	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2K+H"	78.933592
"1340708"	323.046507	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+DMSO+H"	79.021207
"1005636"	327.085676	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2ACN+H"	83.060376
"1525051"	328.079308	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+IsoProp+Na+H"	84.054008
"994902"	164.046476	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+2ACN+2H"	84.067652
"1587086"	328.993928	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+K+HCOOH"	84.968628
"1418351"	359.025438	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+H+CF3COOH"	115.000138
"1151924"	184.559751	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+3ACN+2H"	125.094202
"1705856"	376.051985	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+NH4+CF3COOH"	132.026685
"1641506"	381.00738	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+Na+CF3COOH"	136.98208
"1584811"	396.98132	"C20829"	"Sulfoquinovose;6-Deoxy-6-sulfo-D-glucopyranose;6-Deoxy-6-sulfo-D-glucose"	"C6H12O8S"	"244.0253"	"M+K+CF3COOH"	152.95602
"805334"	244.0253	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M"	0
"975586"	225.00691	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-H2O-H"	-19.01839
"69294"	161.676257333333	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M-3H"	-3.021828
"508856"	243.018024	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M-3H"	-3.021828
"886658"	80.3344906666667	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-3H"	-3.021828
"6328"	243.018024	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M-2H"	-2.014552
"448077"	365.030674	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M-2H"	-2.014552
"822599"	121.005374	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-2H"	-2.014552
"91220"	487.043324	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M-H"	-1.007276
"529810"	731.068624	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M-H"	-1.007276
"909315"	243.018024	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-H"	-1.007276
"60408"	504.069871	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M-2H+NH4"	16.019271
"500333"	748.095171	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M-2H+NH4"	16.019271
"877407"	260.044571	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-2H+NH4"	16.019271
"37406"	509.025266	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M-2H+Na"	20.974666
"476238"	753.050566	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M-2H+Na"	20.974666
"854040"	264.999966	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-2H+Na"	20.974666
"1621753"	264.999966	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Na-2H"	20.974666
"104114"	261.006363	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M-H+Cl"	33.962126
"540398"	383.019013	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M-H+Cl"	33.962126
"936101"	138.993713	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-H+Cl"	33.962126
"277939"	523.020002	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+Cl"	34.969402
"664893"	767.045302	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+Cl"	34.969402
"1280577"	278.994702	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Cl"	34.969402
"26417"	524.999206	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M-2H+K"	36.948606
"456377"	769.024506	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M-2H+K"	36.948606
"837216"	280.973906	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-2H+K"	36.948606
"1559607"	280.973906	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+K-2H"	36.948606
"944575"	289.023494	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-H+HCOOH"	44.998194
"362790"	533.048801	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+HCOOH-H"	44.998201
"347404"	547.064451	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+Hac-H"	59.013851
"1495143"	303.039151	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Hac-H"	59.013851
"961589"	311.005451	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-H+NaCOOH"	66.980151
"112684"	278.994702	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+2Cl"	69.938804
"555525"	401.007352	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+2Cl"	69.938804
"1021772"	156.982052	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2Cl"	69.938804
"1254481"	322.944185	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Br"	78.918885
"1316931"	325.000172	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Cl+HCOOH"	80.974872
"1326042"	346.982129	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Cl+NaCOOH"	102.956829
"921478"	357.010886	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M-H+CF3COOH"	112.985586
"1291624"	392.987564	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Cl+CF3COOH"	148.962264
"1367840"	209.012624	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H-2H2O"	-35.012676
"1387284"	227.0226	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H-H2O"	-17.0027
"286970"	489.057876	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+H"	1.007276
"682673"	733.083176	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+H"	1.007276
"1356833"	245.032576	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H"	1.007276
"135193"	245.032576	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+2H"	2.014552
"579496"	367.045226	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+2H"	2.014552
"1045742"	123.019926	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2H"	2.014552
"213644"	163.690809333333	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+3H"	3.021828
"653202"	245.032576	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+3H"	3.021828
"1170237"	82.3490426666667	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+3H"	3.021828
"431323"	506.084423	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+NH4"	18.033823
"794507"	750.109723	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+NH4"	18.033823
"1693024"	262.059123	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+NH4"	18.033823
"333648"	253.5458495	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+H+NH4"	19.041099
"726070"	375.5584995	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+H+NH4"	19.041099
"1487544"	131.5331995	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H+NH4"	19.041099
"400756"	511.039818	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+Na"	22.989218
"767220"	755.065118	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+Na"	22.989218
"1603085"	267.014518	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Na"	22.989218
"319890"	256.023547	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+H+Na"	23.996494
"712309"	378.036197	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+H+Na"	23.996494
"1467226"	134.010897	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H+Na"	23.996494
"1061565"	89.6763566666667	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2H+Na"	25.00377
"1263244"	277.058786	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+CH3OH+H"	33.033486
"379631"	527.013758	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+K"	38.963158
"743906"	771.039058	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+K"	38.963158
"1541585"	282.988458	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+K"	38.963158
"304228"	264.010517	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+H+K"	39.970434
"702118"	386.023167	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+H+K"	39.970434
"1450836"	141.997867	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H+K"	39.970434
"238341"	530.084426	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+ACN+H"	42.033826
"1215063"	286.059126	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+ACN+H"	42.033826
"1198947"	143.533201	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+ACN+2H"	43.041102
"195098"	533.02176	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+2Na-H"	44.97116
"634658"	777.04706	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+2Na-H"	44.97116
"1140352"	288.99646	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2Na-H"	44.97116
"174529"	267.014518	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+2Na"	45.978436
"614083"	389.027168	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+2Na"	45.978436
"1118322"	145.001868	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2Na"	45.978436
"1400025"	97.0036706666667	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H+2Na"	46.985712
"1430559"	291.038046	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H+HCOOH"	47.012746
"220863"	272.04754	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+3H2O+2H"	56.04448
"1510624"	305.09009	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+IsoProp+H"	61.06479
"410674"	275.001488	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+Na+K"	61.952376
"771428"	397.014138	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+Na+K"	61.952376
"1667280"	152.988838	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Na+K"	61.952376
"252706"	552.066368	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+ACN+Na"	64.015768
"1227969"	308.041068	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+ACN+Na"	64.015768
"1719773"	308.064593	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+NH4+HCOOH"	64.039293
"1182211"	104.330984666667	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+3Na"	68.967654
"1650071"	313.019988	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Na+HCOOH"	68.994688
"157380"	564.96964	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+2K-H"	76.91904
"597676"	808.99494	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+2K-H"	76.91904
"1084495"	320.94434	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2K-H"	76.91904
"141428"	282.988458	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"2M+2K"	77.926316
"581760"	405.001108	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"3M+2K"	77.926316
"1068784"	160.975808	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2K"	77.926316
"1100080"	322.958892	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2K+H"	78.933592
"1335685"	323.046507	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+DMSO+H"	79.021207
"1006180"	327.085676	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2ACN+H"	83.060376
"1526377"	328.079308	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+IsoProp+Na+H"	84.054008
"990391"	164.046476	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+2ACN+2H"	84.067652
"1587276"	328.993928	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+K+HCOOH"	84.968628
"1420650"	359.025438	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+H+CF3COOH"	115.000138
"1153127"	184.559751	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+3ACN+2H"	125.094202
"1703778"	376.051985	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+NH4+CF3COOH"	132.026685
"1641616"	381.00738	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+Na+CF3COOH"	136.98208
"1584921"	396.98132	"C20830"	"6-Deoxy-6-sulfo-D-fructose"	"C6H12O8S"	"244.0253"	"M+K+CF3COOH"	152.95602
"805444"	323.9916	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M"	0
"978976"	304.97321	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-H2O-H"	-19.01839
"70497"	214.987124	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M-3H"	-3.021828
"508966"	322.984324	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M-3H"	-3.021828
"884582"	106.989924	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-3H"	-3.021828
"6438"	322.984324	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M-2H"	-2.014552
"448187"	484.980124	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M-2H"	-2.014552
"824897"	160.988524	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-2H"	-2.014552
"90965"	646.975924	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M-H"	-1.007276
"526640"	970.967524	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M-H"	-1.007276
"907722"	322.984324	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-H"	-1.007276
"59546"	664.002471	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M-2H+NH4"	16.019271
"496190"	987.994071	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M-2H+NH4"	16.019271
"876906"	340.010871	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-2H+NH4"	16.019271
"37516"	668.957866	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M-2H+Na"	20.974666
"479264"	992.949466	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M-2H+Na"	20.974666
"853787"	344.966266	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-2H+Na"	20.974666
"1624415"	344.966266	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Na-2H"	20.974666
"96574"	340.972663	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M-H+Cl"	33.962126
"539416"	502.968463	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M-H+Cl"	33.962126
"935119"	178.976863	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-H+Cl"	33.962126
"272582"	682.952602	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+Cl"	34.969402
"669377"	1006.944202	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+Cl"	34.969402
"1279593"	358.961002	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Cl"	34.969402
"24338"	684.931806	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M-2H+K"	36.948606
"466086"	1008.923406	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M-2H+K"	36.948606
"837327"	360.940206	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-2H+K"	36.948606
"1557534"	360.940206	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+K-2H"	36.948606
"945415"	368.989794	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-H+HCOOH"	44.998194
"364725"	692.981401	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+HCOOH-H"	44.998201
"347514"	706.997051	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+Hac-H"	59.013851
"1497439"	383.005451	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Hac-H"	59.013851
"959634"	390.971751	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-H+NaCOOH"	66.980151
"112794"	358.961002	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+2Cl"	69.938804
"553448"	520.956802	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+2Cl"	69.938804
"1036602"	196.965202	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2Cl"	69.938804
"1255571"	402.910485	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Br"	78.918885
"1316677"	404.966472	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Cl+HCOOH"	80.974872
"1331986"	426.948429	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Cl+NaCOOH"	102.956829
"921585"	436.977186	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M-H+CF3COOH"	112.985586
"1291735"	472.953864	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Cl+CF3COOH"	148.962264
"1367622"	288.978924	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H-2H2O"	-35.012676
"1386301"	306.9889	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H-H2O"	-17.0027
"293278"	648.990476	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+H"	1.007276
"685701"	972.982076	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+H"	1.007276
"1358040"	324.998876	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H"	1.007276
"140772"	324.998876	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+2H"	2.014552
"578146"	486.994676	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+2H"	2.014552
"1047674"	163.003076	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2H"	2.014552
"215574"	217.001676	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+3H"	3.021828
"650033"	324.998876	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+3H"	3.021828
"1172167"	109.004476	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+3H"	3.021828
"430338"	666.017023	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+NH4"	18.033823
"793519"	990.008623	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+NH4"	18.033823
"1686574"	342.025423	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+NH4"	18.033823
"335941"	333.5121495	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+H+NH4"	19.041099
"724349"	495.5079495	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+H+NH4"	19.041099
"1479025"	171.5163495	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H+NH4"	19.041099
"399772"	670.972418	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+Na"	22.989218
"759677"	994.964018	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+Na"	22.989218
"1602909"	346.980818	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Na"	22.989218
"315012"	335.989847	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+H+Na"	23.996494
"709134"	497.985647	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+H+Na"	23.996494
"1465145"	173.994047	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H+Na"	23.996494
"1059484"	116.33179	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2H+Na"	25.00377
"1262259"	357.025086	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+CH3OH+H"	33.033486
"381198"	686.946358	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+K"	38.963158
"739762"	1010.937958	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+K"	38.963158
"1540597"	362.954758	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+K"	38.963158
"301786"	343.976817	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+H+K"	39.970434
"692750"	505.972617	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+H+K"	39.970434
"1447299"	181.981017	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H+K"	39.970434
"237723"	690.017026	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+ACN+H"	42.033826
"1211406"	366.025426	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+ACN+H"	42.033826
"1194799"	183.516351	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+ACN+2H"	43.041102
"190835"	692.95436	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+2Na-H"	44.97116
"631488"	1016.94596	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+2Na-H"	44.97116
"1139369"	368.96276	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2Na-H"	44.97116
"178284"	346.980818	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+2Na"	45.978436
"623310"	508.976618	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+2Na"	45.978436
"1124628"	184.985018	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2Na"	45.978436
"1399400"	123.659104	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H+2Na"	46.985712
"1431151"	371.004346	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H+HCOOH"	47.012746
"222672"	352.01384	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+3H2O+2H"	56.04448
"1509639"	385.05639	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+IsoProp+H"	61.06479
"410785"	354.967788	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+Na+K"	61.952376
"771778"	516.963588	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+Na+K"	61.952376
"1667384"	192.971988	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Na+K"	61.952376
"254273"	711.998968	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+ACN+Na"	64.015768
"1227712"	388.007368	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+ACN+Na"	64.015768
"1716601"	388.030893	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+NH4+HCOOH"	64.039293
"1178794"	130.986418	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+3Na"	68.967654
"1650386"	392.986288	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Na+HCOOH"	68.994688
"158102"	724.90224	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+2K-H"	76.91904
"597299"	1048.89384	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+2K-H"	76.91904
"1084485"	400.91064	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2K-H"	76.91904
"141495"	362.954758	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"2M+2K"	77.926316
"583658"	524.950558	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"3M+2K"	77.926316
"1069263"	200.958958	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2K"	77.926316
"1100394"	402.925192	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2K+H"	78.933592
"1335769"	403.012807	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+DMSO+H"	79.021207
"1006414"	407.051976	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2ACN+H"	83.060376
"1528677"	408.045608	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+IsoProp+Na+H"	84.054008
"992935"	204.029626	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+2ACN+2H"	84.067652
"1587038"	408.960228	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+K+HCOOH"	84.968628
"1415168"	438.991738	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+H+CF3COOH"	115.000138
"1151050"	224.542901	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+3ACN+2H"	125.094202
"1709353"	456.018285	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+NH4+CF3COOH"	132.026685
"1641726"	460.97368	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+Na+CF3COOH"	136.98208
"1585031"	476.94762	"C20831"	"6-Deoxy-6-sulfo-D-fructose 1-phosphate"	"C6H13O11PS"	"323.9916"	"M+K+CF3COOH"	152.95602
"813211"	290.261	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M"	0
"988933"	271.24261	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"77176"	192.500057333333	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"516737"	289.253724	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"891256"	95.7463906666667	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"10926"	289.253724	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"450488"	434.384224	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"826103"	144.123224	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"91562"	579.514724	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"526751"	869.775724	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"907833"	289.253724	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"52730"	596.541271	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"491195"	886.802271	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"869366"	306.280271	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"39821"	601.496666	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"476463"	891.757666	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"851717"	311.235666	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1621252"	311.235666	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"103251"	307.242063	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"542810"	452.372563	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"937419"	162.111563	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"274880"	615.491402	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"667302"	905.752402	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1276425"	325.230402	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"23358"	617.470606	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"461825"	907.731606	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"840720"	327.209606	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1558738"	327.209606	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"948809"	335.259194	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"362648"	625.520201	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"354190"	639.535851	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1496461"	349.274851	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"961812"	357.241151	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"123854"	325.230402	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"560132"	470.360902	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1034040"	180.099902	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1255075"	369.179885	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1318975"	371.235872	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1330639"	393.217829	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"913071"	403.246586	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1297321"	439.223264	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1378764"	255.248324	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1393710"	273.2583	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"291571"	581.529276	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"686545"	871.790276	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1359246"	291.268276	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"133230"	291.268276	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"568416"	436.398776	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1043775"	146.137776	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"208395"	194.514609333333	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"650141"	291.268276	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1167175"	97.7609426666667	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"428262"	598.555823	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"789255"	888.816823	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1686678"	308.294823	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"334227"	299.7815495	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"726654"	444.9120495	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1478651"	154.6510495	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"395873"	603.511218	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"763069"	893.772218	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1611166"	313.250218	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"319016"	302.259247	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"711439"	447.389747	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1463194"	157.128747	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1053192"	105.088256666667	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1259817"	323.294486	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"377617"	619.485158	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"739132"	909.746158	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1540590"	329.224158	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"301896"	310.246217	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"692618"	455.376717	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1446314"	165.115717	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"236985"	622.555826	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1211150"	332.294826	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1196001"	166.651051	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"189971"	625.49316	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"630261"	915.75416	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1133645"	335.23216	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"175111"	313.250218	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"616126"	458.380718	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1124751"	168.119718	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1403906"	112.415570666667	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1436748"	337.273746	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"223159"	318.28324	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1512672"	351.32579	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"411629"	321.237188	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"771533"	466.367688	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1668227"	176.106688	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"253653"	644.537768	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1227091"	354.276768	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1714889"	354.300293	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1180611"	119.742884666667	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1651230"	359.255688	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"157969"	657.44104	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"598012"	947.70204	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1085691"	367.18004	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"141898"	329.224158	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"583648"	474.354658	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1069005"	184.093658	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1100150"	369.194592	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1336086"	369.282207	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1006400"	373.321376	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1524647"	374.315008	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"990741"	187.164326	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1602268"	375.229628	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1426347"	405.261138	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1157727"	207.677601	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1702904"	422.287685	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1641836"	427.24308	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1575302"	443.21702	"C20834"	"Cyclooctat-9-en-7-ol;(1S3aS4R7S9aS10aS)-149a-Trimethyl-7-(propan-2-yl)-1233a457899a1010a-dodecahydrodicyclopentaad8annulen-4-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"815511"	164.0685	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M"	0
"989414"	145.05011	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"76192"	108.371724	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"517823"	163.061224	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"893557"	53.682224	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"8853"	163.061224	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"451695"	245.095474	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"829497"	81.026974	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"94175"	327.129724	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"532328"	491.198224	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"910618"	163.061224	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"59037"	344.156271	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"492402"	508.224771	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"868748"	180.087771	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"41024"	349.111666	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"482772"	513.180166	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"851827"	185.043166	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1623547"	185.043166	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"107736"	181.049563	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"544015"	263.083813	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"935343"	99.015313	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"276085"	363.106402	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"672881"	527.174902	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1279817"	199.037902	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"23468"	365.085606	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"459747"	529.154106	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"838643"	201.017106	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1559943"	201.017106	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"947826"	209.066694	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"367133"	373.135201	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"354300"	387.150851	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1505321"	223.082351	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"969581"	231.048651	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"123970"	199.037902	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"560243"	281.072152	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1030134"	117.003652	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1255186"	242.987385	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1317631"	245.043372	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1333669"	267.025329	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"917436"	277.054086	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1301078"	313.030764	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1379238"	129.055824	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1392360"	147.0658	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"292413"	329.144276	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"686293"	493.212776	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1358264"	165.075776	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"134436"	165.075776	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"575091"	247.110026	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1044982"	83.041526	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"210695"	110.386276	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"650254"	165.075776	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1168380"	55.696776	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"428372"	346.170823	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"790463"	510.239323	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1687884"	182.102323	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"336162"	173.5890495	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"727128"	255.6232995	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1486782"	91.5547995	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"397076"	351.126218	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"766459"	515.194718	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1611276"	187.057718	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"323502"	176.066747	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"715924"	258.100997	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1466464"	94.032497	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1057525"	63.02409	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1259204"	197.101986	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"382151"	367.100158	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"741688"	531.168658	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1545565"	203.031658	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"304926"	184.053717	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"692245"	266.087967	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1446790"	102.019467	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"236123"	370.170826	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1210290"	206.102326	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1194781"	103.554801	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"189233"	373.10816	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"630369"	537.17666	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1134480"	209.03966	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"174131"	187.057718	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"621355"	269.091968	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1125956"	105.023468	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1408388"	70.351404	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1437222"	211.081246	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"222542"	192.09074	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1514979"	225.13329	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"409926"	195.044688	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"772742"	277.078938	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1673085"	113.010438	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"254866"	392.152768	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1230494"	228.084268	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1716830"	228.107793	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1182185"	77.678718	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1655355"	233.063188	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"159785"	405.05604	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"598738"	569.12454	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1091756"	240.98754	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"146387"	203.031658	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"581933"	285.065908	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1068626"	120.997408	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1103669"	243.002092	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1336406"	243.089707	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1006638"	247.128876	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1524879"	248.122508	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1002653"	124.068076	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1598609"	249.037128	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1426455"	279.068638	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1158932"	144.581351	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1710669"	296.095185	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1638665"	301.05058	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1575412"	317.02452	"C20835"	"alpha-L-Fucopyranose;alpha-L-Fucose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"816356"	164.0685	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M"	0
"988064"	145.05011	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"74118"	108.371724	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"514771"	163.061224	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"886013"	53.682224	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"1309"	163.061224	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"441962"	245.095474	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"824138"	81.026974	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"86317"	327.129724	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"523690"	491.198224	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"896387"	163.061224	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"56959"	344.156271	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"487769"	508.224771	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"869222"	180.087771	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"40041"	349.111666	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"476321"	513.180166	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"851937"	185.043166	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1621832"	185.043166	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"106753"	181.049563	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"541939"	263.083813	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"934360"	99.015313	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"274009"	363.106402	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"666430"	527.174902	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1274459"	199.037902	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"23578"	365.085606	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"458764"	529.154106	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"836565"	201.017106	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1557866"	201.017106	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"946841"	209.066694	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"367245"	373.135201	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"348942"	387.150851	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1505431"	223.082351	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"969691"	231.048651	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"125174"	199.037902	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"560352"	281.072152	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1030245"	117.003652	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1252009"	242.987385	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1317378"	245.043372	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1335119"	267.025329	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"925566"	277.054086	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1302648"	313.030764	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1377524"	129.055824	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1395021"	147.0658	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"292887"	329.144276	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"683851"	493.212776	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1360198"	165.075776	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"134546"	165.075776	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"578117"	247.110026	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1045092"	83.041526	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"209712"	110.386276	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"649271"	165.075776	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1168490"	55.696776	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"429575"	346.170823	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"793853"	510.239323	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1689088"	182.102323	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"339555"	173.5890495	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"729791"	255.6232995	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1485800"	91.5547995	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"399009"	351.126218	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"764383"	515.194718	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1609200"	187.057718	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"318144"	176.066747	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"712753"	258.100997	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1466574"	94.032497	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1056544"	63.02409	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1261502"	197.101986	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"381168"	367.100158	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"743258"	531.168658	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1542760"	203.031658	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"305766"	184.053717	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"692355"	266.087967	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1446173"	102.019467	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"236154"	370.170826	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1210439"	206.102326	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1196109"	103.554801	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"189100"	373.10816	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"629631"	537.17666	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1133982"	209.03966	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"174607"	187.057718	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"618185"	269.091968	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1123880"	105.023468	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1408136"	70.351404	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1438428"	211.081246	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"229214"	192.09074	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1513996"	225.13329	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"415870"	195.044688	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"774678"	277.078938	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1671009"	113.010438	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"254242"	392.152768	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1232427"	228.084268	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1723502"	228.107793	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1185576"	77.678718	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1653645"	233.063188	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"159412"	405.05604	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"599700"	569.12454	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1090044"	240.98754	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"141472"	203.031658	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"586059"	285.065908	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1070206"	120.997408	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1103781"	243.002092	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1336274"	243.089707	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1006627"	247.128876	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1527918"	248.122508	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"1002032"	124.068076	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1596534"	249.037128	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1425473"	279.068638	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1156855"	144.581351	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1708591"	296.095185	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1638776"	301.05058	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1575522"	317.02452	"C20836"	"beta-L-Fucopyranose;beta-L-Fucose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"805888"	987.2252	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M"	0
"980515"	968.20681	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-H2O-H"	-19.01839
"73132"	657.142857333333	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M-3H"	-3.021828
"514881"	986.217924	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M-3H"	-3.021828
"880291"	328.067790666667	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-3H"	-3.021828
"3605"	986.217924	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M-2H"	-2.014552
"442072"	1479.830524	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M-2H"	-2.014552
"822062"	492.605324	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-2H"	-2.014552
"86425"	1973.443124	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M-H"	-1.007276
"519787"	2960.668324	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M-H"	-1.007276
"907069"	986.217924	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-H"	-1.007276
"48682"	1990.469671	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M-2H+NH4"	16.019271
"494449"	2977.694871	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M-2H+NH4"	16.019271
"870065"	1003.244471	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-2H+NH4"	16.019271
"39057"	1995.425066	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M-2H+Na"	20.974666
"480810"	2982.650266	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M-2H+Na"	20.974666
"855328"	1008.199866	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-2H+Na"	20.974666
"1629241"	1008.199866	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Na-2H"	20.974666
"101398"	1004.206263	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M-H+Cl"	33.962126
"539864"	1497.818863	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M-H+Cl"	33.962126
"933376"	510.593663	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-H+Cl"	33.962126
"273024"	2009.419802	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+Cl"	34.969402
"663259"	2996.645002	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+Cl"	34.969402
"1274693"	1022.194602	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Cl"	34.969402
"18221"	2011.399006	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M-2H+K"	36.948606
"456806"	2998.624206	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M-2H+K"	36.948606
"835582"	1024.173806	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-2H+K"	36.948606
"1559065"	1024.173806	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+K-2H"	36.948606
"946949"	1032.223394	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-H+HCOOH"	44.998194
"375012"	2019.448601	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+HCOOH-H"	44.998201
"357438"	2033.464251	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+Hac-H"	59.013851
"1505177"	1046.239051	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Hac-H"	59.013851
"971997"	1054.205351	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-H+NaCOOH"	66.980151
"121999"	1022.194602	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+2Cl"	69.938804
"558275"	1515.807202	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+2Cl"	69.938804
"1032541"	528.582002	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2Cl"	69.938804
"1252119"	1066.144085	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Br"	78.918885
"1319307"	1068.200072	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Cl+HCOOH"	80.974872
"1328781"	1090.182029	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Cl+NaCOOH"	102.956829
"920944"	1100.210786	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M-H+CF3COOH"	112.985586
"1295465"	1136.187464	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Cl+CF3COOH"	148.962264
"1374720"	952.212524	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H-2H2O"	-35.012676
"1387842"	970.2225	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H-H2O"	-17.0027
"288621"	1975.457676	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+H"	1.007276
"678858"	2962.682876	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+H"	1.007276
"1353747"	988.232476	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H"	1.007276
"134295"	988.232476	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+2H"	2.014552
"569843"	1481.845076	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+2H"	2.014552
"1041923"	494.619876	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2H"	2.014552
"208729"	659.157409333333	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+3H"	3.021828
"646101"	988.232476	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+3H"	3.021828
"1174071"	330.082342666667	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+3H"	3.021828
"434062"	1992.484223	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+NH4"	18.033823
"792869"	2979.709423	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+NH4"	18.033823
"1688107"	1005.259023	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+NH4"	18.033823
"337480"	996.7457495	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+H+NH4"	19.041099
"730996"	1490.3583495	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+H+NH4"	19.041099
"1482630"	503.1331495	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H+NH4"	19.041099
"395843"	1997.439618	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+Na"	22.989218
"759026"	2984.664818	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+Na"	22.989218
"1611498"	1010.214418	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Na"	22.989218
"321536"	999.223447	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+H+Na"	23.996494
"709584"	1492.836047	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+H+Na"	23.996494
"1465596"	505.610847	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H+Na"	23.996494
"1055925"	337.409656666667	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2H+Na"	25.00377
"1257844"	1020.258686	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+CH3OH+H"	33.033486
"379092"	2013.413558	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+K"	38.963158
"740452"	3000.638758	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+K"	38.963158
"1542504"	1026.188358	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+K"	38.963158
"299313"	1007.210417	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+H+K"	39.970434
"691774"	1500.823017	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+H+K"	39.970434
"1447014"	513.597817	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H+K"	39.970434
"235853"	2016.484226	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+ACN+H"	42.033826
"1210425"	1029.259026	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+ACN+H"	42.033826
"1195847"	515.133151	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+ACN+2H"	43.041102
"190904"	2019.42156	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+2Na-H"	44.97116
"630829"	3006.64676	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+2Na-H"	44.97116
"1132997"	1032.19636	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2Na-H"	44.97116
"176549"	1010.214418	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+2Na"	45.978436
"614042"	1503.827018	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+2Na"	45.978436
"1116451"	516.601818	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2Na"	45.978436
"1404233"	344.736970666667	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H+2Na"	46.985712
"1431246"	1034.237946	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H+HCOOH"	47.012746
"224951"	1015.24744	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+3H2O+2H"	56.04448
"1508514"	1048.28999	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+IsoProp+H"	61.06479
"412699"	1018.201388	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+Na+K"	61.952376
"772235"	1511.813988	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+Na+K"	61.952376
"1670025"	524.588788	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Na+K"	61.952376
"256551"	2038.466168	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+ACN+Na"	64.015768
"1237642"	1051.240968	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+ACN+Na"	64.015768
"1722519"	1051.264493	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+NH4+HCOOH"	64.039293
"1181674"	352.064284666667	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+3Na"	68.967654
"1655578"	1056.219888	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Na+HCOOH"	68.994688
"163530"	2051.36944	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+2K-H"	76.91904
"603090"	3038.59464	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+2K-H"	76.91904
"1086873"	1064.14424	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2K-H"	76.91904
"144055"	1026.188358	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"2M+2K"	77.926316
"581497"	1519.800958	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"3M+2K"	77.926316
"1072866"	532.575758	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2K"	77.926316
"1100202"	1066.158792	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2K+H"	78.933592
"1336506"	1066.246407	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+DMSO+H"	79.021207
"1014281"	1070.285576	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2ACN+H"	83.060376
"1534599"	1071.279208	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+IsoProp+Na+H"	84.054008
"993391"	535.646426	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+2ACN+2H"	84.067652
"1594456"	1072.193828	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+K+HCOOH"	84.968628
"1418292"	1102.225338	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+H+CF3COOH"	115.000138
"1152588"	556.159701	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+3ACN+2H"	125.094202
"1699952"	1119.251885	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+NH4+CF3COOH"	132.026685
"1635604"	1124.20728	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+Na+CF3COOH"	136.98208
"1575633"	1140.18122	"C20838"	"3-(3aS4S7aS)-7a-Methyl-15-dioxo-octahydro-1H-inden-4-ylpropanoyl-CoA;HIP-CoA"	"C34H52N7O19P3S"	"987.2252"	"M+K+CF3COOH"	152.95602
"805998"	414.3134	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M"	0
"978436"	395.29501	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-H2O-H"	-19.01839
"75430"	275.201657333333	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M-3H"	-3.021828
"507338"	413.306124	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M-3H"	-3.021828
"882223"	137.097190666667	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-3H"	-3.021828
"2622"	413.306124	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M-2H"	-2.014552
"443275"	620.462824	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M-2H"	-2.014552
"823265"	206.149424	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-2H"	-2.014552
"83257"	827.619524	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M-H"	-1.007276
"529375"	1241.932924	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M-H"	-1.007276
"908271"	413.306124	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-H"	-1.007276
"49523"	844.646071	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M-2H+NH4"	16.019271
"496746"	1258.959471	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M-2H+NH4"	16.019271
"867990"	430.332671	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-2H+NH4"	16.019271
"35890"	849.601466	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M-2H+Na"	20.974666
"482014"	1263.914866	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M-2H+Na"	20.974666
"854347"	435.288066	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-2H+Na"	20.974666
"1629351"	435.288066	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Na-2H"	20.974666
"99321"	431.294463	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M-H+Cl"	33.962126
"537788"	638.451163	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M-H+Cl"	33.962126
"930208"	224.137763	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-H+Cl"	33.962126
"268032"	863.596202	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+Cl"	34.969402
"663373"	1277.909602	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+Cl"	34.969402
"1276869"	449.282802	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Cl"	34.969402
"22707"	865.575406	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M-2H+K"	36.948606
"466641"	1279.888806	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M-2H+K"	36.948606
"840068"	451.262006	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-2H+K"	36.948606
"1567930"	451.262006	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+K-2H"	36.948606
"952531"	459.311594	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-H+HCOOH"	44.998194
"375492"	873.625001	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+HCOOH-H"	44.998201
"360467"	887.640651	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+Hac-H"	59.013851
"1507474"	473.327251	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Hac-H"	59.013851
"964451"	481.293551	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-H+NaCOOH"	66.980151
"121744"	449.282802	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+2Cl"	69.938804
"554011"	656.439502	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+2Cl"	69.938804
"1022323"	242.126102	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2Cl"	69.938804
"1243844"	493.232285	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Br"	78.918885
"1311395"	495.288272	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Cl+HCOOH"	80.974872
"1322331"	517.270229	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Cl+NaCOOH"	102.956829
"914858"	527.298986	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M-H+CF3COOH"	112.985586
"1295575"	563.275664	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Cl+CF3COOH"	148.962264
"1372642"	379.300724	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H-2H2O"	-35.012676
"1392328"	397.3107	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H-H2O"	-17.0027
"288732"	829.634076	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+H"	1.007276
"684801"	1243.947476	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+H"	1.007276
"1360786"	415.320676	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H"	1.007276
"132582"	415.320676	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+2H"	2.014552
"574695"	622.477376	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+2H"	2.014552
"1043128"	208.163976	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2H"	2.014552
"213216"	277.216209333333	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+3H"	3.021828
"656057"	415.320676	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+3H"	3.021828
"1173088"	139.111742666667	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+3H"	3.021828
"434903"	846.660623	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+NH4"	18.033823
"795899"	1260.974023	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+NH4"	18.033823
"1691500"	432.347223	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+NH4"	18.033823
"341239"	423.8339495	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+H+NH4"	19.041099
"733295"	630.9906495	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+H+NH4"	19.041099
"1487845"	216.6772495	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H+NH4"	19.041099
"398140"	851.616018	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+Na"	22.989218
"763146"	1265.929418	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+Na"	22.989218
"1610516"	437.302618	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Na"	22.989218
"327239"	426.311647	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+H+Na"	23.996494
"719538"	633.468347	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+H+Na"	23.996494
"1465706"	219.154947	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H+Na"	23.996494
"1057858"	146.439056666667	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2H+Na"	25.00377
"1257711"	447.346886	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+CH3OH+H"	33.033486
"378114"	867.589958	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+K"	38.963158
"740199"	1281.903358	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+K"	38.963158
"1543346"	453.276558	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+K"	38.963158
"299423"	434.298617	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+H+K"	39.970434
"691491"	641.455317	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+H+K"	39.970434
"1446394"	227.141917	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H+K"	39.970434
"237177"	870.660626	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+ACN+H"	42.033826
"1210980"	456.347226	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+ACN+H"	42.033826
"1195957"	228.677251	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+ACN+2H"	43.041102
"189439"	873.59796	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+2Na-H"	44.97116
"630943"	1287.91136	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+2Na-H"	44.97116
"1134082"	459.28456	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2Na-H"	44.97116
"177752"	437.302618	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+2Na"	45.978436
"612945"	644.459318	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+2Na"	45.978436
"1116448"	230.145918	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2Na"	45.978436
"1398751"	153.766370666667	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H+2Na"	46.985712
"1432088"	461.326146	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H+HCOOH"	47.012746
"225064"	442.33564	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+3H2O+2H"	56.04448
"1508581"	475.37819	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+IsoProp+H"	61.06479
"409773"	445.289588	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+Na+K"	61.952376
"775994"	652.446288	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+Na+K"	61.952376
"1669045"	238.132888	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Na+K"	61.952376
"256660"	892.642568	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+ACN+Na"	64.015768
"1235566"	478.329168	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+ACN+Na"	64.015768
"1722629"	478.352693	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+NH4+HCOOH"	64.039293
"1183608"	161.093684666667	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+3Na"	68.967654
"1656781"	483.308088	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Na+HCOOH"	68.994688
"161454"	905.54584	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+2K-H"	76.91904
"597853"	1319.85924	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+2K-H"	76.91904
"1085892"	491.23244	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2K-H"	76.91904
"141527"	453.276558	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"2M+2K"	77.926316
"583118"	660.433258	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"3M+2K"	77.926316
"1068761"	246.119858	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2K"	77.926316
"1101813"	493.246992	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2K+H"	78.933592
"1336496"	493.334607	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+DMSO+H"	79.021207
"1016577"	497.373776	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2ACN+H"	83.060376
"1530333"	498.367408	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+IsoProp+Na+H"	84.054008
"995689"	249.190526	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+2ACN+2H"	84.067652
"1592377"	499.282028	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+K+HCOOH"	84.968628
"1420224"	529.313538	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+H+CF3COOH"	115.000138
"1153794"	269.703801	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+3ACN+2H"	125.094202
"1703346"	546.340085	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+NH4+CF3COOH"	132.026685
"1644464"	551.29548	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+Na+CF3COOH"	136.98208
"1575743"	567.26942	"C20839"	"(25R)-3-Oxocholest-4-en-26-oate;3-Oxo-4-cholesten-26-oate;3-Oxo-4-cholesten-26-oic acid"	"C27H42O3"	"414.3134"	"M+K+CF3COOH"	152.95602
"806108"	1163.418	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M"	0
"979640"	1144.39961	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-H2O-H"	-19.01839
"78410"	774.604724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M-3H"	-3.021828
"515103"	1162.410724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M-3H"	-3.021828
"892904"	386.798724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-3H"	-3.021828
"1639"	1162.410724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M-2H"	-2.014552
"445574"	1744.119724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M-2H"	-2.014552
"828842"	580.701724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-2H"	-2.014552
"86649"	2325.828724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M-H"	-1.007276
"533496"	3489.246724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M-H"	-1.007276
"910697"	1162.410724	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-H"	-1.007276
"50365"	2342.855271	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M-2H+NH4"	16.019271
"499043"	3506.273271	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M-2H+NH4"	16.019271
"873568"	1179.437271	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-2H+NH4"	16.019271
"42561"	2347.810666	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M-2H+Na"	20.974666
"483216"	3511.228666	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M-2H+Na"	20.974666
"854457"	1184.392666	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-2H+Na"	20.974666
"1629461"	1184.392666	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Na-2H"	20.974666
"100525"	1180.399063	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M-H+Cl"	33.962126
"541178"	1762.108063	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M-H+Cl"	33.962126
"931410"	598.690063	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-H+Cl"	33.962126
"268628"	2361.805402	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+Cl"	34.969402
"660808"	3525.223402	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+Cl"	34.969402
"1273331"	1198.387402	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Cl"	34.969402
"26097"	2363.784606	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M-2H+K"	36.948606
"466751"	3527.202606	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M-2H+K"	36.948606
"843458"	1200.366606	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-2H+K"	36.948606
"1568040"	1200.366606	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+K-2H"	36.948606
"952641"	1208.416194	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-H+HCOOH"	44.998194
"376933"	2371.834201	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+HCOOH-H"	44.998201
"359853"	2385.849851	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+Hac-H"	59.013851
"1507595"	1222.431851	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Hac-H"	59.013851
"971486"	1230.398151	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-H+NaCOOH"	66.980151
"121854"	1198.387402	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+2Cl"	69.938804
"563235"	1780.096402	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+2Cl"	69.938804
"1033854"	616.678402	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2Cl"	69.938804
"1253432"	1242.336885	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Br"	78.918885
"1318800"	1244.392872	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Cl+HCOOH"	80.974872
"1329003"	1266.374829	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Cl+NaCOOH"	102.956829
"924815"	1276.403586	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M-H+CF3COOH"	112.985586
"1301884"	1312.380264	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Cl+CF3COOH"	148.962264
"1378221"	1128.405324	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H-2H2O"	-35.012676
"1392438"	1146.4153	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H-H2O"	-17.0027
"295406"	2327.843276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+H"	1.007276
"689287"	3491.261276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+H"	1.007276
"1364541"	1164.425276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H"	1.007276
"135971"	1164.425276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+2H"	2.014552
"576626"	1746.134276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+2H"	2.014552
"1049435"	582.716276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2H"	2.014552
"217337"	776.619276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+3H"	3.021828
"657990"	1164.425276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+3H"	3.021828
"1176114"	388.813276	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+3H"	3.021828
"437929"	2344.869823	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+NH4"	18.033823
"800384"	3508.287823	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+NH4"	18.033823
"1695621"	1181.451823	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+NH4"	18.033823
"339891"	1172.9385495	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+H+NH4"	19.041099
"734134"	1754.6475495	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+H+NH4"	19.041099
"1486131"	591.2295495	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H+NH4"	19.041099
"398249"	2349.825218	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+Na"	22.989218
"759246"	3513.243218	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+Na"	22.989218
"1609531"	1186.407218	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Na"	22.989218
"320664"	1175.416247	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+H+Na"	23.996494
"718553"	1757.125247	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+H+Na"	23.996494
"1471286"	593.707247	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H+Na"	23.996494
"1064528"	396.14059	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2H+Na"	25.00377
"1261835"	1196.451486	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+CH3OH+H"	33.033486
"383691"	2365.799158	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+K"	38.963158
"742497"	3529.217158	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+K"	38.963158
"1548923"	1202.381158	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+K"	38.963158
"300997"	1183.403217	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+H+K"	39.970434
"693416"	1765.112217	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+H+K"	39.970434
"1447233"	601.694217	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H+K"	39.970434
"236320"	2368.869826	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+ACN+H"	42.033826
"1211095"	1205.451826	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+ACN+H"	42.033826
"1194978"	603.229551	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+ACN+2H"	43.041102
"190039"	2371.80716	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+2Na-H"	44.97116
"630692"	3535.22516	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+2Na-H"	44.97116
"1132740"	1208.38916	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2Na-H"	44.97116
"178955"	1186.407218	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+2Na"	45.978436
"614145"	1768.116218	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+2Na"	45.978436
"1116558"	604.698218	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2Na"	45.978436
"1403361"	403.467904	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H+2Na"	46.985712
"1437665"	1210.430746	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H+HCOOH"	47.012746
"228454"	1191.44024	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+3H2O+2H"	56.04448
"1514329"	1224.48279	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+IsoProp+H"	61.06479
"411828"	1194.394188	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+Na+K"	61.952376
"778291"	1776.103188	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+Na+K"	61.952376
"1671342"	612.685188	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Na+K"	61.952376
"261144"	2390.851768	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+ACN+Na"	64.015768
"1239320"	1227.433768	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+ACN+Na"	64.015768
"1722739"	1227.457293	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+NH4+HCOOH"	64.039293
"1182626"	410.795218	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+3Na"	68.967654
"1652516"	1232.412688	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Na+HCOOH"	68.994688
"163751"	2403.75504	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+2K-H"	76.91904
"604405"	3567.17304	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+2K-H"	76.91904
"1086002"	1240.33704	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2K-H"	76.91904
"145736"	1202.381158	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"2M+2K"	77.926316
"584202"	1784.090158	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"3M+2K"	77.926316
"1076367"	620.672158	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2K"	77.926316
"1101923"	1242.351592	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2K+H"	78.933592
"1337216"	1242.439207	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+DMSO+H"	79.021207
"1010125"	1246.478376	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2ACN+H"	83.060376
"1532632"	1247.472008	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+IsoProp+Na+H"	84.054008
"996892"	623.742826	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+2ACN+2H"	84.067652
"1594674"	1248.386628	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+K+HCOOH"	84.968628
"1419241"	1278.418138	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+H+CF3COOH"	115.000138
"1152811"	644.256101	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+3ACN+2H"	125.094202
"1704549"	1295.444685	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+NH4+CF3COOH"	132.026685
"1646761"	1300.40008	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+Na+CF3COOH"	136.98208
"1575853"	1316.37402	"C20840"	"(25S)-3-Oxocholest-4-en-26-oyl-CoA"	"C48H76N7O18P3S"	"1163.418"	"M+K+CF3COOH"	152.95602
"806218"	232.0736	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M"	0
"981938"	213.05521	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-H2O-H"	-19.01839
"74555"	153.708457333333	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M-3H"	-3.021828
"507557"	231.066324	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M-3H"	-3.021828
"884266"	76.3505906666667	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-3H"	-3.021828
"1749"	231.066324	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M-2H"	-2.014552
"445683"	347.103124	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M-2H"	-2.014552
"824580"	115.029524	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-2H"	-2.014552
"87851"	463.139924	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M-H"	-1.007276
"533977"	695.213524	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M-H"	-1.007276
"910563"	231.066324	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-H"	-1.007276
"51934"	480.166471	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M-2H+NH4"	16.019271
"499153"	712.240071	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M-2H+NH4"	16.019271
"874772"	248.092871	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-2H+NH4"	16.019271
"39391"	485.121866	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M-2H+Na"	20.974666
"483326"	717.195466	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M-2H+Na"	20.974666
"855660"	253.048266	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-2H+Na"	20.974666
"1629570"	253.048266	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Na-2H"	20.974666
"98443"	249.054663	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M-H+Cl"	33.962126
"536180"	365.091463	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M-H+Cl"	33.962126
"929325"	133.017863	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-H+Cl"	33.962126
"272260"	499.116602	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+Cl"	34.969402
"665775"	731.190202	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+Cl"	34.969402
"1274900"	267.043002	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Cl"	34.969402
"19645"	501.095806	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M-2H+K"	36.948606
"462486"	733.169406	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M-2H+K"	36.948606
"841381"	269.022206	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-2H+K"	36.948606
"1568879"	269.022206	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+K-2H"	36.948606
"952751"	277.071794	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-H+HCOOH"	44.998194
"376328"	509.145401	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+HCOOH-H"	44.998201
"360700"	523.161051	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+Hac-H"	59.013851
"1508273"	291.087451	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Hac-H"	59.013851
"969410"	299.053751	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-H+NaCOOH"	66.980151
"117952"	267.043002	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+2Cl"	69.938804
"562979"	383.079802	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+2Cl"	69.938804
"1031777"	151.006202	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2Cl"	69.938804
"1250261"	310.992485	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Br"	78.918885
"1317448"	313.048472	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Cl+HCOOH"	80.974872
"1326926"	335.030429	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Cl+NaCOOH"	102.956829
"926970"	345.059186	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M-H+CF3COOH"	112.985586
"1302722"	381.035864	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Cl+CF3COOH"	148.962264
"1379787"	197.060924	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H-2H2O"	-35.012676
"1391453"	215.0709	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H-H2O"	-17.0027
"295880"	465.154476	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+H"	1.007276
"690813"	697.228076	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+H"	1.007276
"1365380"	233.080876	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H"	1.007276
"136081"	233.080876	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+2H"	2.014552
"573455"	349.117676	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+2H"	2.014552
"1043348"	117.044076	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2H"	2.014552
"210156"	155.723009333333	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+3H"	3.021828
"655183"	233.080876	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+3H"	3.021828
"1175495"	78.3651426666667	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+3H"	3.021828
"436217"	482.181023	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+NH4"	18.033823
"796119"	714.254623	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+NH4"	18.033823
"1692814"	250.107423	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+NH4"	18.033823
"341824"	241.5941495	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+H+NH4"	19.041099
"731328"	357.6309495	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+H+NH4"	19.041099
"1486241"	125.5573495	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H+NH4"	19.041099
"398359"	487.136418	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+Na"	22.989218
"761543"	719.210018	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+Na"	22.989218
"1607455"	255.062818	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Na"	22.989218
"322961"	244.071847	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+H+Na"	23.996494
"714288"	360.108647	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+H+Na"	23.996494
"1474676"	128.035047	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H+Na"	23.996494
"1063543"	85.6924566666667	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2H+Na"	25.00377
"1261944"	265.107086	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+CH3OH+H"	33.033486
"384892"	503.110358	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+K"	38.963158
"743700"	735.183958	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+K"	38.963158
"1550126"	271.036758	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+K"	38.963158
"301107"	252.058817	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+H+K"	39.970434
"696443"	368.095617	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+H+K"	39.970434
"1448438"	136.022017	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H+K"	39.970434
"238863"	506.181026	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+ACN+H"	42.033826
"1212663"	274.107426	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+ACN+H"	42.033826
"1197640"	137.557351	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+ACN+2H"	43.041102
"193067"	509.11836	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+2Na-H"	44.97116
"633354"	741.19196	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+2Na-H"	44.97116
"1136130"	277.04476	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2Na-H"	44.97116
"182346"	255.062818	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+2Na"	45.978436
"616442"	371.099618	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+2Na"	45.978436
"1119948"	139.026018	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2Na"	45.978436
"1406751"	93.0197706666667	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H+2Na"	46.985712
"1435587"	279.086346	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H+HCOOH"	47.012746
"228564"	260.09584	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+3H2O+2H"	56.04448
"1517719"	293.13839	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+IsoProp+H"	61.06479
"411938"	263.049788	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+Na+K"	61.952376
"776213"	379.086588	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+Na+K"	61.952376
"1672544"	147.012988	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Na+K"	61.952376
"261254"	528.162968	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+ACN+Na"	64.015768
"1239066"	296.089368	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+ACN+Na"	64.015768
"1722849"	296.112893	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+NH4+HCOOH"	64.039293
"1183829"	100.347084666667	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+3Na"	68.967654
"1655908"	301.068288	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Na+HCOOH"	68.994688
"163862"	541.06624	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+2K-H"	76.91904
"603422"	773.13984	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+2K-H"	76.91904
"1087207"	308.99264	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2K-H"	76.91904
"144753"	271.036758	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"2M+2K"	77.926316
"585406"	387.073558	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"3M+2K"	77.926316
"1075384"	154.999958	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2K"	77.926316
"1103126"	311.007192	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2K+H"	78.933592
"1338055"	311.094807	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+DMSO+H"	79.021207
"1010236"	315.133976	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2ACN+H"	83.060376
"1532741"	316.127608	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+IsoProp+Na+H"	84.054008
"997002"	158.070626	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+2ACN+2H"	84.067652
"1595877"	317.042228	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+K+HCOOH"	84.968628
"1419351"	347.073738	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+H+CF3COOH"	115.000138
"1151826"	178.583901	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+3ACN+2H"	125.094202
"1704659"	364.100285	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+NH4+CF3COOH"	132.026685
"1646871"	369.05568	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+Na+CF3COOH"	136.98208
"1575963"	385.02962	"C20841"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoate"	"C13H12O4"	"232.0736"	"M+K+CF3COOH"	152.95602
"816171"	981.1782	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M"	0
"988977"	962.15981	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-H2O-H"	-19.01839
"75761"	653.111524	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M-3H"	-3.021828
"509856"	980.170924	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M-3H"	-3.021828
"887658"	326.052124	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-3H"	-3.021828
"6233"	980.170924	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M-2H"	-2.014552
"446886"	1470.760024	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M-2H"	-2.014552
"824691"	489.581824	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-2H"	-2.014552
"85775"	1961.349124	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M-H"	-1.007276
"531896"	2942.527324	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M-H"	-1.007276
"909941"	980.170924	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-H"	-1.007276
"52044"	1978.375671	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M-2H+NH4"	16.019271
"499263"	2959.553871	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M-2H+NH4"	16.019271
"875977"	997.197471	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-2H+NH4"	16.019271
"42782"	1983.331066	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M-2H+Na"	20.974666
"480156"	2964.509266	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M-2H+Na"	20.974666
"857957"	1002.152866	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-2H+Na"	20.974666
"1630775"	1002.152866	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Na-2H"	20.974666
"105116"	998.159263	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M-H+Cl"	33.962126
"542487"	1488.748363	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M-H+Cl"	33.962126
"931627"	507.570163	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-H+Cl"	33.962126
"272370"	1997.325802	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+Cl"	34.969402
"666979"	2978.504002	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+Cl"	34.969402
"1278292"	1016.147602	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Cl"	34.969402
"27410"	1999.305006	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M-2H+K"	36.948606
"462596"	2980.483206	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M-2H+K"	36.948606
"841491"	1018.126806	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-2H+K"	36.948606
"1568625"	1018.126806	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+K-2H"	36.948606
"951768"	1026.176394	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-H+HCOOH"	44.998194
"376898"	2007.354601	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+HCOOH-H"	44.998201
"360083"	2021.370251	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+Hac-H"	59.013851
"1508415"	1040.192051	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Hac-H"	59.013851
"973171"	1048.158351	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-H+NaCOOH"	66.980151
"121342"	1016.147602	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+2Cl"	69.938804
"563088"	1506.736702	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+2Cl"	69.938804
"1034074"	525.558502	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2Cl"	69.938804
"1253652"	1060.097085	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Br"	78.918885
"1317194"	1062.153072	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Cl+HCOOH"	80.974872
"1328128"	1084.135029	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Cl+NaCOOH"	102.956829
"926125"	1094.163786	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M-H+CF3COOH"	112.985586
"1304084"	1130.140464	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Cl+CF3COOH"	148.962264
"1382329"	946.165524	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H-2H2O"	-35.012676
"1396302"	964.1755	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H-H2O"	-17.0027
"295991"	1963.363676	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+H"	1.007276
"688781"	2944.541876	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+H"	1.007276
"1366586"	982.185476	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H"	1.007276
"135828"	982.185476	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+2H"	2.014552
"576846"	1472.774576	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+2H"	2.014552
"1044553"	491.596376	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2H"	2.014552
"213181"	655.126076	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+3H"	3.021828
"655293"	982.185476	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+3H"	3.021828
"1177429"	328.066676	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+3H"	3.021828
"434505"	1980.390223	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+NH4"	18.033823
"796593"	2961.568423	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+NH4"	18.033823
"1690737"	999.212023	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+NH4"	18.033823
"340110"	990.6987495	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+H+NH4"	19.041099
"729251"	1481.2878495	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+H+NH4"	19.041099
"1486351"	500.1096495	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H+NH4"	19.041099
"394094"	1985.345618	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+Na"	22.989218
"762746"	2966.523818	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+Na"	22.989218
"1609752"	1004.167418	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Na"	22.989218
"327811"	993.176447	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+H+Na"	23.996494
"714398"	1483.765547	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+H+Na"	23.996494
"1473689"	502.587347	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H+Na"	23.996494
"1058185"	335.39399	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2H+Na"	25.00377
"1267521"	1014.211686	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+CH3OH+H"	33.033486
"387188"	2001.319558	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+K"	38.963158
"744903"	2982.497758	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+K"	38.963158
"1546956"	1020.141358	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+K"	38.963158
"307412"	1001.163417	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+H+K"	39.970434
"698740"	1491.752517	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+H+K"	39.970434
"1449642"	510.574317	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H+K"	39.970434
"237152"	2004.390226	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+ACN+H"	42.033826
"1212778"	1023.212026	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+ACN+H"	42.033826
"1197026"	512.109651	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+ACN+2H"	43.041102
"192449"	2007.32756	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+2Na-H"	44.97116
"630911"	2988.50576	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+2Na-H"	44.97116
"1134780"	1026.14936	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2Na-H"	44.97116
"182456"	1004.167418	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+2Na"	45.978436
"616553"	1494.756518	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+2Na"	45.978436
"1120059"	513.578318	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2Na"	45.978436
"1400667"	342.721304	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H+2Na"	46.985712
"1435699"	1028.190946	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H+HCOOH"	47.012746
"230861"	1009.20044	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+3H2O+2H"	56.04448
"1515643"	1042.24299	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+IsoProp+H"	61.06479
"418609"	1012.154388	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+Na+K"	61.952376
"780698"	1502.743488	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+Na+K"	61.952376
"1673748"	521.565288	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Na+K"	61.952376
"265013"	2026.372168	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+ACN+Na"	64.015768
"1237354"	1045.193968	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+ACN+Na"	64.015768
"1718586"	1045.217493	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+NH4+HCOOH"	64.039293
"1189406"	350.048618	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+3Na"	68.967654
"1661485"	1050.172888	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Na+HCOOH"	68.994688
"166159"	2039.27544	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+2K-H"	76.91904
"605721"	3020.45364	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+2K-H"	76.91904
"1093514"	1058.09724	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2K-H"	76.91904
"145956"	1020.141358	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"2M+2K"	77.926316
"585515"	1510.730458	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"3M+2K"	77.926316
"1072215"	529.552258	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2K"	77.926316
"1103237"	1060.111792	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2K+H"	78.933592
"1337436"	1060.199407	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+DMSO+H"	79.021207
"1012532"	1064.238576	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2ACN+H"	83.060376
"1536132"	1065.232208	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+IsoProp+Na+H"	84.054008
"998203"	532.622926	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+2ACN+2H"	84.067652
"1594895"	1066.146828	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+K+HCOOH"	84.968628
"1420555"	1096.178338	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+H+CF3COOH"	115.000138
"1150841"	553.136201	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+3ACN+2H"	125.094202
"1705862"	1113.204885	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+NH4+CF3COOH"	132.026685
"1646982"	1118.16028	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+Na+CF3COOH"	136.98208
"1576073"	1134.13422	"C20842"	"2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA"	"C34H46N7O19P3S"	"981.1782"	"M+K+CF3COOH"	152.95602
"809720"	222.1004	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M"	0
"979972"	203.08201	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-H2O-H"	-19.01839
"74776"	147.059657333333	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M-3H"	-3.021828
"514338"	221.093124	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M-3H"	-3.021828
"888859"	73.0261906666667	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-3H"	-3.021828
"1969"	221.093124	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M-2H"	-2.014552
"452464"	332.143324	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M-2H"	-2.014552
"829901"	110.042924	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-2H"	-2.014552
"85883"	443.193524	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M-H"	-1.007276
"524351"	665.293924	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M-H"	-1.007276
"895753"	221.093124	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-H"	-1.007276
"61759"	460.220071	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M-2H+NH4"	16.019271
"497189"	682.320471	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M-2H+NH4"	16.019271
"874994"	238.119671	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-2H+NH4"	16.019271
"36332"	465.175466	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M-2H+Na"	20.974666
"476984"	687.275866	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M-2H+Na"	20.974666
"858070"	243.075066	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-2H+Na"	20.974666
"1629791"	243.075066	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Na-2H"	20.974666
"103039"	239.081463	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M-H+Cl"	33.962126
"541503"	350.131663	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M-H+Cl"	33.962126
"928453"	128.031263	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-H+Cl"	33.962126
"269200"	479.170202	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+Cl"	34.969402
"664904"	701.270602	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+Cl"	34.969402
"1277308"	257.069802	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Cl"	34.969402
"25334"	481.149406	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M-2H+K"	36.948606
"463799"	703.249806	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M-2H+K"	36.948606
"839413"	259.049006	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-2H+K"	36.948606
"1566913"	259.049006	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+K-2H"	36.948606
"957593"	267.098594	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-H+HCOOH"	44.998194
"375202"	489.199001	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+HCOOH-H"	44.998201
"360962"	503.214651	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+Hac-H"	59.013851
"1508091"	281.114251	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Hac-H"	59.013851
"972914"	289.080551	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-H+NaCOOH"	66.980151
"123276"	257.069802	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+2Cl"	69.938804
"563929"	368.120002	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+2Cl"	69.938804
"1034185"	146.019602	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2Cl"	69.938804
"1252668"	301.019285	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Br"	78.918885
"1310742"	303.075272	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Cl+HCOOH"	80.974872
"1333959"	325.057229	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Cl+NaCOOH"	102.956829
"926961"	335.085986	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M-H+CF3COOH"	112.985586
"1300387"	371.062664	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Cl+CF3COOH"	148.962264
"1380008"	187.087724	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H-2H2O"	-35.012676
"1393496"	205.0977	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H-H2O"	-17.0027
"297928"	445.208076	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+H"	1.007276
"687427"	667.308476	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+H"	1.007276
"1366578"	223.107676	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H"	1.007276
"141165"	223.107676	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+2H"	2.014552
"579873"	334.157876	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+2H"	2.014552
"1051587"	112.057476	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2H"	2.014552
"213655"	149.074209333333	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+3H"	3.021828
"653216"	223.107676	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+3H"	3.021828
"1175351"	75.0407426666667	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+3H"	3.021828
"435709"	462.234623	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+NH4"	18.033823
"795246"	684.335023	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+NH4"	18.033823
"1691941"	240.134223	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+NH4"	18.033823
"336940"	231.6209495	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+H+NH4"	19.041099
"729360"	342.6711495	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+H+NH4"	19.041099
"1479535"	120.5707495	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H+NH4"	19.041099
"395054"	467.190018	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+Na"	22.989218
"761764"	689.290418	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+Na"	22.989218
"1609863"	245.089618	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Na"	22.989218
"326462"	234.098647	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+H+Na"	23.996494
"720831"	345.148847	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+H+Na"	23.996494
"1476595"	123.048447	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H+Na"	23.996494
"1061579"	82.3680566666667	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2H+Na"	25.00377
"1263258"	255.133886	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+CH3OH+H"	33.033486
"382196"	483.163958	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+K"	38.963158
"741003"	705.264358	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+K"	38.963158
"1547066"	261.063558	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+K"	38.963158
"302055"	242.085617	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+H+K"	39.970434
"696664"	353.135817	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+H+K"	39.970434
"1446353"	131.035417	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H+K"	39.970434
"236900"	486.234626	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+ACN+H"	42.033826
"1212888"	264.134226	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+ACN+H"	42.033826
"1196041"	132.570751	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+ACN+2H"	43.041102
"191095"	489.17196	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+2Na-H"	44.97116
"629563"	711.27236	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+2Na-H"	44.97116
"1134900"	267.07156	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2Na-H"	44.97116
"178192"	245.089618	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+2Na"	45.978436
"624314"	356.139818	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+2Na"	45.978436
"1128552"	134.039418	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2Na"	45.978436
"1409160"	89.6953706666667	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H+2Na"	46.985712
"1435809"	269.113146	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H+HCOOH"	47.012746
"228784"	250.12264	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+3H2O+2H"	56.04448
"1520127"	283.16519	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+IsoProp+H"	61.06479
"420906"	253.076588	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+Na+K"	61.952376
"781902"	364.126788	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+Na+K"	61.952376
"1679332"	142.026388	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Na+K"	61.952376
"265852"	508.216568	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+ACN+Na"	64.015768
"1234184"	286.116168	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+ACN+Na"	64.015768
"1725256"	286.139693	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+NH4+HCOOH"	64.039293
"1186236"	97.0226846666667	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+3Na"	68.967654
"1659408"	291.095088	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Na+HCOOH"	68.994688
"165176"	521.11984	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+2K-H"	76.91904
"605827"	743.22024	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+2K-H"	76.91904
"1087064"	299.01944	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2K-H"	76.91904
"146067"	261.063558	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"2M+2K"	77.926316
"586720"	372.113758	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"3M+2K"	77.926316
"1070501"	150.013358	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2K"	77.926316
"1105531"	301.033992	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2K+H"	78.933592
"1349341"	301.121607	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+DMSO+H"	79.021207
"1019212"	305.160776	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2ACN+H"	83.060376
"1530773"	306.154408	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+IsoProp+Na+H"	84.054008
"998316"	153.084026	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+2ACN+2H"	84.067652
"1595004"	307.069028	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+K+HCOOH"	84.968628
"1420665"	337.100538	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+H+CF3COOH"	115.000138
"1152045"	173.597301	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+3ACN+2H"	125.094202
"1704877"	354.127085	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+NH4+CF3COOH"	132.026685
"1640528"	359.08248	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+Na+CF3COOH"	136.98208
"1577276"	375.05642	"C20843"	"N5-Phenyl-L-glutamine;gamma-Glutamylanilide"	"C11H14N2O3"	"222.1004"	"M+K+CF3COOH"	152.95602
"803270"	177.0637	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M"	0
"981178"	158.04531	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-H2O-H"	-19.01839
"71608"	117.035190666667	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M-3H"	-3.021828
"505701"	176.056424	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M-3H"	-3.021828
"884596"	58.0139573333333	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-3H"	-3.021828
"7543"	176.056424	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M-2H"	-2.014552
"453665"	264.588274	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M-2H"	-2.014552
"818347"	87.524574	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-2H"	-2.014552
"79916"	353.120124	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M-H"	-1.007276
"526647"	530.183824	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M-H"	-1.007276
"908831"	176.056424	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-H"	-1.007276
"55554"	370.146671	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M-2H+NH4"	16.019271
"494019"	547.210371	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M-2H+NH4"	16.019271
"869633"	193.082971	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-2H+NH4"	16.019271
"36442"	375.102066	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M-2H+Na"	20.974666
"474909"	552.165766	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M-2H+Na"	20.974666
"858181"	198.038366	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-2H+Na"	20.974666
"1628807"	198.038366	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Na-2H"	20.974666
"103147"	194.044763	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M-H+Cl"	33.962126
"540519"	282.576613	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M-H+Cl"	33.962126
"932945"	105.512913	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-H+Cl"	33.962126
"269674"	389.096802	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+Cl"	34.969402
"667200"	566.160502	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+Cl"	34.969402
"1277418"	212.033102	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Cl"	34.969402
"28359"	391.076006	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M-2H+K"	36.948606
"465002"	568.139706	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M-2H+K"	36.948606
"840616"	214.012306	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-2H+K"	36.948606
"1571277"	214.012306	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+K-2H"	36.948606
"957342"	222.061894	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-H+HCOOH"	44.998194
"376931"	399.125601	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+HCOOH-H"	44.998201
"358831"	413.141251	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+Hac-H"	59.013851
"1508158"	236.077551	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Hac-H"	59.013851
"972416"	244.043851	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-H+NaCOOH"	66.980151
"121198"	212.033102	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+2Cl"	69.938804
"561121"	300.564952	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+2Cl"	69.938804
"1029920"	123.501252	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2Cl"	69.938804
"1252776"	255.982585	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Br"	78.918885
"1311948"	258.038572	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Cl+HCOOH"	80.974872
"1329446"	280.020529	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Cl+NaCOOH"	102.956829
"924883"	290.049286	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M-H+CF3COOH"	112.985586
"1297214"	326.025964	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Cl+CF3COOH"	148.962264
"1378659"	142.051024	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H-2H2O"	-35.012676
"1390685"	160.061	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H-H2O"	-17.0027
"288187"	355.134676	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+H"	1.007276
"681704"	532.198376	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+H"	1.007276
"1365955"	178.070976	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H"	1.007276
"139329"	178.070976	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+2H"	2.014552
"579254"	266.602826	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+2H"	2.014552
"1046959"	89.539126	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2H"	2.014552
"217047"	119.049742666667	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+3H"	3.021828
"653326"	178.070976	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+3H"	3.021828
"1175461"	60.0285093333333	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+3H"	3.021828
"435819"	372.161223	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+NH4"	18.033823
"793533"	549.224923	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+NH4"	18.033823
"1689864"	195.097523	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+NH4"	18.033823
"330732"	186.5842495	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+H+NH4"	19.041099
"723149"	275.1160995	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+H+NH4"	19.041099
"1478185"	98.0523995	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H+NH4"	19.041099
"395043"	377.116618	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+Na"	22.989218
"762967"	554.180318	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+Na"	22.989218
"1609973"	200.052918	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Na"	22.989218
"329370"	189.061947	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+H+Na"	23.996494
"721793"	277.593797	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+H+Na"	23.996494
"1464799"	100.530097	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H+Na"	23.996494
"1056585"	67.3558233333333	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2H+Na"	25.00377
"1269926"	210.097186	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+CH3OH+H"	33.033486
"383033"	393.090558	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+K"	38.963158
"740383"	570.154258	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+K"	38.963158
"1546083"	216.026858	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+K"	38.963158
"299974"	197.048917	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+H+K"	39.970434
"695676"	285.580767	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+H+K"	39.970434
"1448037"	108.517067	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H+K"	39.970434
"238827"	396.161226	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+ACN+H"	42.033826
"1212994"	219.097526	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+ACN+H"	42.033826
"1194689"	110.052401	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+ACN+2H"	43.041102
"191569"	399.09856	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+2Na-H"	44.97116
"631506"	576.16226	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+2Na-H"	44.97116
"1135011"	222.03486	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2Na-H"	44.97116
"177209"	200.052918	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+2Na"	45.978436
"622968"	288.584768	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+2Na"	45.978436
"1122830"	111.521068	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2Na"	45.978436
"1411092"	74.6831373333333	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H+2Na"	46.985712
"1441021"	224.076446	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H+HCOOH"	47.012746
"228893"	205.08594	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+3H2O+2H"	56.04448
"1521331"	238.12849	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+IsoProp+H"	61.06479
"421016"	208.039888	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+Na+K"	61.952376
"783106"	296.571738	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+Na+K"	61.952376
"1675063"	119.508038	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Na+K"	61.952376
"260490"	418.143168	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+ACN+Na"	64.015768
"1237573"	241.079468	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+ACN+Na"	64.015768
"1723178"	241.102993	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+NH4+HCOOH"	64.039293
"1187438"	82.0104513333333	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+3Na"	68.967654
"1659518"	246.058388	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Na+HCOOH"	68.994688
"163463"	431.04644	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+2K-H"	76.91904
"604115"	608.11014	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+2K-H"	76.91904
"1088632"	253.98274	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2K-H"	76.91904
"145446"	216.026858	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"2M+2K"	77.926316
"583911"	304.558708	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"3M+2K"	77.926316
"1069883"	127.495008	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2K"	77.926316
"1113066"	255.997292	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2K+H"	78.933592
"1349698"	256.084907	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+DMSO+H"	79.021207
"1019322"	260.124076	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2ACN+H"	83.060376
"1534165"	261.117708	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+IsoProp+Na+H"	84.054008
"999519"	130.565676	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+2ACN+2H"	84.067652
"1596208"	262.032328	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+K+HCOOH"	84.968628
"1420775"	292.063838	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+H+CF3COOH"	115.000138
"1155436"	151.078951	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+3ACN+2H"	125.094202
"1699521"	309.090385	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+NH4+CF3COOH"	132.026685
"1639547"	314.04578	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+Na+CF3COOH"	136.98208
"1577386"	330.01972	"C20844"	"(2Z4S5R)-2-Amino-456-trihydroxyhex-2-enoate"	"C6H11NO5"	"177.0637"	"M+K+CF3COOH"	152.95602
"803377"	177.0637	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M"	0
"981288"	158.04531	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-H2O-H"	-19.01839
"72811"	117.035190666667	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M-3H"	-3.021828
"505082"	176.056424	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M-3H"	-3.021828
"889080"	58.0139573333333	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-3H"	-3.021828
"5467"	176.056424	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M-2H"	-2.014552
"451589"	264.588274	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M-2H"	-2.014552
"817485"	87.524574	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-2H"	-2.014552
"82821"	353.120124	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M-H"	-1.007276
"526757"	530.183824	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M-H"	-1.007276
"907484"	176.056424	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-H"	-1.007276
"56393"	370.146671	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M-2H+NH4"	16.019271
"494129"	547.210371	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M-2H+NH4"	16.019271
"869743"	193.082971	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-2H+NH4"	16.019271
"37645"	375.102066	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M-2H+Na"	20.974666
"483041"	552.165766	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M-2H+Na"	20.974666
"860478"	198.038366	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-2H+Na"	20.974666
"1628917"	198.038366	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Na-2H"	20.974666
"101071"	194.044763	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M-H+Cl"	33.962126
"538443"	282.576613	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M-H+Cl"	33.962126
"933055"	105.512913	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-H+Cl"	33.962126
"271607"	389.096802	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+Cl"	34.969402
"662937"	566.160502	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+Cl"	34.969402
"1277528"	212.033102	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Cl"	34.969402
"28470"	391.076006	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M-2H+K"	36.948606
"465112"	568.139706	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M-2H+K"	36.948606
"839633"	214.012306	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-2H+K"	36.948606
"1568591"	214.012306	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+K-2H"	36.948606
"957583"	222.061894	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-H+HCOOH"	44.998194
"376159"	399.125601	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+HCOOH-H"	44.998201
"357848"	413.141251	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+Hac-H"	59.013851
"1507662"	236.077551	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Hac-H"	59.013851
"973134"	244.043851	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-H+NaCOOH"	66.980151
"122404"	212.033102	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+2Cl"	69.938804
"563421"	300.564952	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+2Cl"	69.938804
"1028937"	123.501252	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2Cl"	69.938804
"1248516"	255.982585	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Br"	78.918885
"1310965"	258.038572	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Cl+HCOOH"	80.974872
"1327370"	280.020529	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Cl+NaCOOH"	102.956829
"925967"	290.049286	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M-H+CF3COOH"	112.985586
"1297324"	326.025964	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Cl+CF3COOH"	148.962264
"1373298"	142.051024	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H-2H2O"	-35.012676
"1387513"	160.061	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H-H2O"	-17.0027
"287201"	355.134676	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+H"	1.007276
"686186"	532.198376	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+H"	1.007276
"1353787"	178.070976	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H"	1.007276
"139436"	178.070976	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+2H"	2.014552
"580092"	266.602826	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+2H"	2.014552
"1051079"	89.539126	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2H"	2.014552
"216065"	119.049742666667	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+3H"	3.021828
"656717"	178.070976	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+3H"	3.021828
"1175936"	60.0285093333333	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+3H"	3.021828
"439413"	372.161223	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+NH4"	18.033823
"794736"	549.224923	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+NH4"	18.033823
"1689974"	195.097523	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+NH4"	18.033823
"330843"	186.5842495	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+H+NH4"	19.041099
"725207"	275.1160995	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+H+NH4"	19.041099
"1479147"	98.0523995	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H+NH4"	19.041099
"393938"	377.116618	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+Na"	22.989218
"761984"	554.180318	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+Na"	22.989218
"1612270"	200.052918	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Na"	22.989218
"327657"	189.061947	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+H+Na"	23.996494
"721295"	277.593797	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+H+Na"	23.996494
"1465276"	100.530097	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H+Na"	23.996494
"1055238"	67.3558233333333	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2H+Na"	25.00377
"1263478"	210.097186	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+CH3OH+H"	33.033486
"382416"	393.090558	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+K"	38.963158
"743047"	570.154258	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+K"	38.963158
"1545100"	216.026858	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+K"	38.963158
"302276"	197.048917	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+H+K"	39.970434
"696882"	285.580767	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+H+K"	39.970434
"1448513"	108.517067	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H+K"	39.970434
"242584"	396.161226	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+ACN+H"	42.033826
"1214565"	219.097526	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+ACN+H"	42.033826
"1197717"	110.052401	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+ACN+2H"	43.041102
"191312"	399.09856	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+2Na-H"	44.97116
"637084"	576.16226	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+2Na-H"	44.97116
"1134031"	222.03486	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2Na-H"	44.97116
"180602"	200.052918	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+2Na"	45.978436
"619071"	288.584768	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+2Na"	45.978436
"1124762"	111.521068	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2Na"	45.978436
"1407193"	74.6831373333333	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H+2Na"	46.985712
"1434206"	224.076446	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H+HCOOH"	47.012746
"226818"	205.08594	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+3H2O+2H"	56.04448
"1522171"	238.12849	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+IsoProp+H"	61.06479
"421130"	208.039888	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+Na+K"	61.952376
"779210"	296.571738	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+Na+K"	61.952376
"1678456"	119.508038	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Na+K"	61.952376
"263156"	418.143168	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+ACN+Na"	64.015768
"1234402"	241.079468	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+ACN+Na"	64.015768
"1721103"	241.102993	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+NH4+HCOOH"	64.039293
"1188641"	82.0104513333333	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+3Na"	68.967654
"1658537"	246.058388	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Na+HCOOH"	68.994688
"163210"	431.04644	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+2K-H"	76.91904
"600582"	608.11014	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+2K-H"	76.91904
"1086918"	253.98274	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2K-H"	76.91904
"147379"	216.026858	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"2M+2K"	77.926316
"584751"	304.558708	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"3M+2K"	77.926316
"1071453"	127.495008	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2K"	77.926316
"1107948"	255.997292	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2K+H"	78.933592
"1343241"	256.084907	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+DMSO+H"	79.021207
"1017241"	260.124076	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2ACN+H"	83.060376
"1530992"	261.117708	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+IsoProp+Na+H"	84.054008
"995251"	130.565676	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+2ACN+2H"	84.067652
"1594130"	262.032328	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+K+HCOOH"	84.968628
"1419790"	292.063838	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+H+CF3COOH"	115.000138
"1151172"	151.078951	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+3ACN+2H"	125.094202
"1702911"	309.090385	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+NH4+CF3COOH"	132.026685
"1639657"	314.04578	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+Na+CF3COOH"	136.98208
"1577496"	330.01972	"C20845"	"(4S5R)-456-Trihydroxy-2-iminohexanoate"	"C6H11NO5"	"177.0637"	"M+K+CF3COOH"	152.95602
"804580"	160.0484	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M"	0
"983585"	141.03001	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-H2O-H"	-19.01839
"72920"	105.691657333333	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M-3H"	-3.021828
"505921"	159.041124	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M-3H"	-3.021828
"889190"	52.3421906666667	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-3H"	-3.021828
"5577"	159.041124	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M-2H"	-2.014552
"451699"	239.065324	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M-2H"	-2.014552
"819295"	79.016924	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-2H"	-2.014552
"86212"	319.089524	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M-H"	-1.007276
"523587"	479.137924	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M-H"	-1.007276
"907958"	159.041124	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-H"	-1.007276
"57960"	336.116071	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M-2H+NH4"	16.019271
"494239"	496.164471	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M-2H+NH4"	16.019271
"866573"	176.067671	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-2H+NH4"	16.019271
"36662"	341.071466	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M-2H+Na"	20.974666
"482422"	501.119866	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M-2H+Na"	20.974666
"860224"	181.023066	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-2H+Na"	20.974666
"1630120"	181.023066	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Na-2H"	20.974666
"101181"	177.029463	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M-H+Cl"	33.962126
"539646"	257.053663	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M-H+Cl"	33.962126
"935351"	97.005263	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-H+Cl"	33.962126
"271717"	355.066202	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+Cl"	34.969402
"664140"	515.114602	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+Cl"	34.969402
"1278731"	195.017802	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Cl"	34.969402
"21288"	357.045406	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M-2H+K"	36.948606
"465222"	517.093806	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M-2H+K"	36.948606
"839743"	196.997006	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-2H+K"	36.948606
"1570403"	196.997006	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+K-2H"	36.948606
"958369"	205.046594	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-H+HCOOH"	44.998194
"376867"	365.095001	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+HCOOH-H"	44.998201
"357957"	379.110651	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+Hac-H"	59.013851
"1507652"	219.062251	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Hac-H"	59.013851
"972758"	227.028551	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-H+NaCOOH"	66.980151
"122150"	195.017802	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+2Cl"	69.938804
"563167"	275.042002	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+2Cl"	69.938804
"1030141"	114.993602	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2Cl"	69.938804
"1249355"	238.967285	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Br"	78.918885
"1311075"	241.023272	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Cl+HCOOH"	80.974872
"1331124"	263.005229	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Cl+NaCOOH"	102.956829
"925590"	273.033986	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M-H+CF3COOH"	112.985586
"1298163"	309.010664	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Cl+CF3COOH"	148.962264
"1372678"	125.035724	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H-2H2O"	-35.012676
"1387622"	143.0457	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H-H2O"	-17.0027
"286217"	321.104076	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+H"	1.007276
"684109"	481.152476	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+H"	1.007276
"1355719"	161.055676	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H"	1.007276
"136265"	161.055676	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+2H"	2.014552
"575096"	241.079876	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+2H"	2.014552
"1048273"	81.031476	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2H"	2.014552
"215081"	107.706209333333	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+3H"	3.021828
"656463"	161.055676	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+3H"	3.021828
"1173495"	54.3567426666667	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+3H"	3.021828
"437132"	338.130623	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+NH4"	18.033823
"794846"	498.179023	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+NH4"	18.033823
"1688990"	178.082223	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+NH4"	18.033823
"333990"	169.5689495	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+H+NH4"	19.041099
"725317"	249.5931495	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+H+NH4"	19.041099
"1479136"	89.5447495	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H+NH4"	19.041099
"402190"	343.086018	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+Na"	22.989218
"760999"	503.134418	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+Na"	22.989218
"1609098"	183.037618	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Na"	22.989218
"329475"	172.046647	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+H+Na"	23.996494
"719217"	252.070847	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+H+Na"	23.996494
"1465386"	92.022447	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H+Na"	23.996494
"1058630"	61.6840566666667	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2H+Na"	25.00377
"1266868"	193.081886	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+CH3OH+H"	33.033486
"383255"	359.059958	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+K"	38.963158
"742063"	519.108358	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+K"	38.963158
"1545210"	199.011558	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+K"	38.963158
"302749"	180.033617	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+H+K"	39.970434
"695899"	260.057817	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+H+K"	39.970434
"1449720"	100.009417	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H+K"	39.970434
"242695"	362.130626	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+ACN+H"	42.033826
"1213581"	202.082226	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+ACN+H"	42.033826
"1197462"	101.544751	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+ACN+2H"	43.041102
"189965"	365.06796	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+2Na-H"	44.97116
"630634"	525.11636	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+2Na-H"	44.97116
"1134505"	205.01956	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2Na-H"	44.97116
"176701"	183.037618	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+2Na"	45.978436
"615169"	263.061818	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+2Na"	45.978436
"1116241"	103.013418	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2Na"	45.978436
"1404021"	69.0113706666667	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H+2Na"	46.985712
"1431400"	207.061146	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H+HCOOH"	47.012746
"226928"	188.07064	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+3H2O+2H"	56.04448
"1518635"	221.11319	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+IsoProp+H"	61.06479
"422333"	191.024588	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+Na+K"	61.952376
"777495"	271.048788	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+Na+K"	61.952376
"1672733"	111.000388	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Na+K"	61.952376
"263266"	384.112568	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+ACN+Na"	64.015768
"1234514"	224.064168	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+ACN+Na"	64.015768
"1721212"	224.087693	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+NH4+HCOOH"	64.039293
"1184378"	76.3386846666667	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+3Na"	68.967654
"1659740"	229.043088	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Na+HCOOH"	68.994688
"163320"	397.01584	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+2K-H"	76.91904
"601056"	557.06424	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+2K-H"	76.91904
"1087029"	236.96744	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2K-H"	76.91904
"146396"	199.011558	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"2M+2K"	77.926316
"584862"	279.035758	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"3M+2K"	77.926316
"1071196"	118.987358	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2K"	77.926316
"1102220"	238.981992	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2K+H"	78.933592
"1340066"	239.069607	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+DMSO+H"	79.021207
"1016258"	243.108776	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2ACN+H"	83.060376
"1527822"	244.102408	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+IsoProp+Na+H"	84.054008
"994268"	122.058026	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+2ACN+2H"	84.067652
"1594240"	245.017028	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+K+HCOOH"	84.968628
"1416621"	275.048538	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+H+CF3COOH"	115.000138
"1152377"	142.571301	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+3ACN+2H"	125.094202
"1699741"	292.075085	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+NH4+CF3COOH"	132.026685
"1639767"	297.03048	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+Na+CF3COOH"	136.98208
"1576513"	313.00442	"C20846"	"3-Oxo-3-ureidoisobutyrate"	"C5H8N2O4"	"160.0484"	"M+K+CF3COOH"	152.95602
"803597"	228.0399	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M"	0
"981509"	209.02151	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-H2O-H"	-19.01839
"71936"	151.019324	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M-3H"	-3.021828
"511498"	227.032624	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M-3H"	-3.021828
"888208"	75.006024	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-3H"	-3.021828
"8967"	227.032624	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M-2H"	-2.014552
"449622"	341.052574	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M-2H"	-2.014552
"817948"	113.012674	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-2H"	-2.014552
"83042"	455.072524	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M-H"	-1.007276
"520417"	683.112424	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M-H"	-1.007276
"901504"	227.032624	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-H"	-1.007276
"52602"	472.099071	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M-2H+NH4"	16.019271
"491069"	700.138971	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M-2H+NH4"	16.019271
"866803"	244.059171	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-2H+NH4"	16.019271
"36772"	477.054466	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M-2H+Na"	20.974666
"481804"	705.094366	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M-2H+Na"	20.974666
"857420"	249.014566	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-2H+Na"	20.974666
"1628044"	249.014566	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Na-2H"	20.974666
"102384"	245.020963	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M-H+Cl"	33.962126
"540849"	359.040913	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M-H+Cl"	33.962126
"935459"	131.001013	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-H+Cl"	33.962126
"279850"	491.049202	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+Cl"	34.969402
"673366"	719.089102	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+Cl"	34.969402
"1284309"	263.009302	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Cl"	34.969402
"21398"	493.028406	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M-2H+K"	36.948606
"465332"	721.068306	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M-2H+K"	36.948606
"839853"	264.988506	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-2H+K"	36.948606
"1570270"	264.988506	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+K-2H"	36.948606
"957847"	273.038094	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-H+HCOOH"	44.998194
"376747"	501.078001	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+HCOOH-H"	44.998201
"359160"	515.093651	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+Hac-H"	59.013851
"1507968"	287.053751	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Hac-H"	59.013851
"972868"	295.020051	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-H+NaCOOH"	66.980151
"122988"	263.009302	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+2Cl"	69.938804
"562181"	377.029252	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+2Cl"	69.938804
"1028065"	148.989352	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2Cl"	69.938804
"1247642"	306.958785	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Br"	78.918885
"1310089"	309.014772	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Cl+HCOOH"	80.974872
"1326497"	330.996729	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Cl+NaCOOH"	102.956829
"925213"	341.025486	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M-H+CF3COOH"	112.985586
"1297544"	377.002164	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Cl+CF3COOH"	148.962264
"1371695"	193.027224	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H-2H2O"	-35.012676
"1389920"	211.0372	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H-H2O"	-17.0027
"287421"	457.087076	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+H"	1.007276
"684949"	685.126976	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+H"	1.007276
"1355100"	229.047176	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H"	1.007276
"136375"	229.047176	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+2H"	2.014552
"574113"	343.067126	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+2H"	2.014552
"1046197"	115.027226	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2H"	2.014552
"214098"	153.033876	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+3H"	3.021828
"655844"	229.047176	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+3H"	3.021828
"1172876"	77.020576	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+3H"	3.021828
"437972"	474.113623	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+NH4"	18.033823
"794956"	702.153523	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+NH4"	18.033823
"1691287"	246.073723	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+NH4"	18.033823
"340660"	237.5604495	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+H+NH4"	19.041099
"727614"	351.5803995	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+H+NH4"	19.041099
"1482526"	123.5404995	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H+NH4"	19.041099
"399020"	479.069018	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+Na"	22.989218
"767671"	707.108918	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+Na"	22.989218
"1603860"	251.029118	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Na"	22.989218
"328360"	240.038147	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+H+Na"	23.996494
"721148"	354.058097	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+H+Na"	23.996494
"1473146"	126.018197	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H+Na"	23.996494
"1058734"	84.34789	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2H+Na"	25.00377
"1263697"	261.073386	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+CH3OH+H"	33.033486
"384459"	495.042958	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+K"	38.963158
"742173"	723.082858	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+K"	38.963158
"1544227"	267.003058	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+K"	38.963158
"302496"	248.025117	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+H+K"	39.970434
"693091"	362.045067	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+H+K"	39.970434
"1446550"	134.005167	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H+K"	39.970434
"239525"	498.113626	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+ACN+H"	42.033826
"1211141"	270.073726	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+ACN+H"	42.033826
"1195503"	135.540501	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+ACN+2H"	43.041102
"188977"	501.05096	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+2Na-H"	44.97116
"630744"	729.09086	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+2Na-H"	44.97116
"1131819"	273.01106	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2Na-H"	44.97116
"176811"	251.029118	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+2Na"	45.978436
"615643"	365.049068	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+2Na"	45.978436
"1116108"	137.009168	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2Na"	45.978436
"1401215"	91.675204	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H+2Na"	46.985712
"1431874"	275.052646	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H+HCOOH"	47.012746
"227038"	256.06214	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+3H2O+2H"	56.04448
"1518016"	289.10469	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+IsoProp+H"	61.06479
"419891"	259.016088	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+Na+K"	61.952376
"777969"	373.036038	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+Na+K"	61.952376
"1673207"	144.996138	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Na+K"	61.952376
"262281"	520.095568	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+ACN+Na"	64.015768
"1233165"	292.055668	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+ACN+Na"	64.015768
"1720229"	292.079193	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+NH4+HCOOH"	64.039293
"1186675"	99.002518	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+3Na"	68.967654
"1659850"	297.034588	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Na+HCOOH"	68.994688
"163794"	532.99884	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+2K-H"	76.91904
"599710"	761.03874	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+2K-H"	76.91904
"1086409"	304.95894	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2K-H"	76.91904
"146506"	267.003058	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"2M+2K"	77.926316
"584244"	381.023008	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"3M+2K"	77.926316
"1071670"	152.983108	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2K"	77.926316
"1101602"	306.973492	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2K+H"	78.933592
"1340540"	307.061107	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+DMSO+H"	79.021207
"1010897"	311.100276	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2ACN+H"	83.060376
"1530119"	312.093908	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+IsoProp+Na+H"	84.054008
"994378"	156.053776	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+2ACN+2H"	84.067652
"1594350"	313.008528	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+K+HCOOH"	84.968628
"1418918"	343.040038	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+H+CF3COOH"	115.000138
"1153581"	176.567051	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+3ACN+2H"	125.094202
"1699851"	360.066585	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+NH4+CF3COOH"	132.026685
"1639877"	365.02198	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+Na+CF3COOH"	136.98208
"1576623"	380.99592	"C20847"	"(R)-Mevalonate 3-phosphate;(R)-3-Phosphomevalonate"	"C6H13O7P"	"228.0399"	"M+K+CF3COOH"	152.95602
"803707"	308.0062	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M"	0
"983807"	288.98781	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H2O-H"	-19.01839
"66582"	204.330190666667	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-3H"	-3.021828
"511609"	306.998924	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-3H"	-3.021828
"889411"	101.661457333333	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-3H"	-3.021828
"5798"	306.998924	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H"	-2.014552
"451918"	461.002024	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H"	-2.014552
"818787"	152.995824	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H"	-2.014552
"83152"	615.005124	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-H"	-1.007276
"520527"	923.011324	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-H"	-1.007276
"901614"	306.998924	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H"	-1.007276
"51619"	632.031671	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H+NH4"	16.019271
"492273"	940.037871	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H+NH4"	16.019271
"865820"	324.025471	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H+NH4"	16.019271
"36882"	636.987066	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H+Na"	20.974666
"473161"	944.993266	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H+Na"	20.974666
"861903"	328.980866	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H+Na"	20.974666
"1628155"	328.980866	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na-2H"	20.974666
"101401"	324.987263	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-H+Cl"	33.962126
"539866"	478.990363	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-H+Cl"	33.962126
"934476"	170.984163	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+Cl"	33.962126
"279231"	650.981802	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Cl"	34.969402
"672017"	958.988002	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+Cl"	34.969402
"1281138"	342.975602	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl"	34.969402
"21508"	652.961006	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M-2H+K"	36.948606
"462161"	960.967206	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M-2H+K"	36.948606
"838869"	344.954806	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-2H+K"	36.948606
"1563451"	344.954806	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K-2H"	36.948606
"951335"	353.004394	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+HCOOH"	44.998194
"373927"	661.010601	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+HCOOH-H"	44.998201
"360728"	675.026251	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Hac-H"	59.013851
"1506647"	367.020051	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Hac-H"	59.013851
"970906"	374.986351	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+NaCOOH"	66.980151
"120910"	342.975602	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2Cl"	69.938804
"560467"	496.978702	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2Cl"	69.938804
"1027082"	188.972502	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2Cl"	69.938804
"1248845"	386.925085	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Br"	78.918885
"1310199"	388.981072	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl+HCOOH"	80.974872
"1324418"	410.963029	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl+NaCOOH"	102.956829
"924231"	420.991786	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M-H+CF3COOH"	112.985586
"1296561"	456.968464	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Cl+CF3COOH"	148.962264
"1372534"	272.993524	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H-2H2O"	-35.012676
"1390030"	291.0035	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H-H2O"	-17.0027
"289718"	617.019676	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H"	1.007276
"685059"	925.025876	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H"	1.007276
"1353388"	309.013476	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H"	1.007276
"136485"	309.013476	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2H"	2.014552
"570942"	463.016576	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2H"	2.014552
"1040834"	155.010376	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2H"	2.014552
"214208"	206.344742666667	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+3H"	3.021828
"653768"	309.013476	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+3H"	3.021828
"1170799"	103.676009333333	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+3H"	3.021828
"436258"	634.046223	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+NH4"	18.033823
"790691"	942.052423	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+NH4"	18.033823
"1691397"	326.040023	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+NH4"	18.033823
"335301"	317.5267495	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H+NH4"	19.041099
"724808"	471.5298495	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H+NH4"	19.041099
"1479356"	163.5236495	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+NH4"	19.041099
"395850"	639.001618	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Na"	22.989218
"757940"	947.007818	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+Na"	22.989218
"1604213"	330.995418	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na"	22.989218
"319359"	320.004447	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H+Na"	23.996494
"718342"	474.007547	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H+Na"	23.996494
"1472163"	166.001347	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+Na"	23.996494
"1055564"	111.003323333333	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2H+Na"	25.00377
"1264903"	341.039686	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+CH3OH+H"	33.033486
"382383"	654.975558	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+K"	38.963158
"741190"	962.981758	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+K"	38.963158
"1550899"	346.969358	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K"	38.963158
"301513"	327.991417	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+H+K"	39.970434
"692840"	481.994517	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+H+K"	39.970434
"1447388"	173.988317	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+K"	39.970434
"239635"	658.046226	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+ACN+H"	42.033826
"1211979"	350.040026	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+ACN+H"	42.033826
"1195250"	175.523651	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+ACN+2H"	43.041102
"188600"	660.98356	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2Na-H"	44.97116
"630001"	968.98976	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2Na-H"	44.97116
"1131929"	352.97736	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2Na-H"	44.97116
"176922"	330.995418	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2Na"	45.978436
"614658"	484.998518	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2Na"	45.978436
"1121447"	176.992318	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2Na"	45.978436
"1398771"	118.330637333333	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+2Na"	46.985712
"1434172"	355.018946	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+HCOOH"	47.012746
"227150"	336.02844	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+3H2O+2H"	56.04448
"1519584"	369.07099	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+IsoProp+H"	61.06479
"414897"	338.982388	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+Na+K"	61.952376
"776986"	492.985488	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+Na+K"	61.952376
"1672223"	184.979288	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na+K"	61.952376
"260931"	680.028168	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+ACN+Na"	64.015768
"1228170"	372.021968	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+ACN+Na"	64.015768
"1714869"	372.045493	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+NH4+HCOOH"	64.039293
"1180222"	125.657951333333	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+3Na"	68.967654
"1654490"	377.000888	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na+HCOOH"	68.994688
"160621"	692.93144	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2K-H"	76.91904
"597993"	1000.93764	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2K-H"	76.91904
"1085424"	384.92524	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2K-H"	76.91904
"143332"	346.969358	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"2M+2K"	77.926316
"582527"	500.972458	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"3M+2K"	77.926316
"1068980"	192.966258	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2K"	77.926316
"1100617"	386.939792	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2K+H"	78.933592
"1339193"	387.027407	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+DMSO+H"	79.021207
"1011007"	391.066576	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2ACN+H"	83.060376
"1531325"	392.060208	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+IsoProp+Na+H"	84.054008
"998864"	196.036926	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+2ACN+2H"	84.067652
"1593369"	392.974828	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K+HCOOH"	84.968628
"1422310"	423.006338	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+H+CF3COOH"	115.000138
"1153691"	216.550201	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+3ACN+2H"	125.094202
"1699961"	440.032885	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+NH4+CF3COOH"	132.026685
"1638894"	444.98828	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+Na+CF3COOH"	136.98208
"1576733"	460.96222	"C20848"	"(R)-Mevalonate 35-bisphosphate;(R)-35-Diphosphomevalonate;(R)-35-Bisphosphomevalonate"	"C6H14O10P2"	"308.0062"	"M+K+CF3COOH"	152.95602
"803817"	605.0659	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M"	0
"987925"	586.04751	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-H2O-H"	-19.01839
"75073"	402.369990666667	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M-3H"	-3.021828
"515001"	604.058624	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M-3H"	-3.021828
"891706"	200.681357333333	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-3H"	-3.021828
"4813"	604.058624	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M-2H"	-2.014552
"444373"	906.591574	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M-2H"	-2.014552
"817924"	301.525674	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-2H"	-2.014552
"78761"	1209.124524	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M-H"	-1.007276
"527195"	1814.190424	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M-H"	-1.007276
"896377"	604.058624	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-H"	-1.007276
"47175"	1226.151071	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M-2H+NH4"	16.019271
"488126"	1831.216971	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M-2H+NH4"	16.019271
"866903"	621.085171	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-2H+NH4"	16.019271
"33709"	1231.106466	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M-2H+Na"	20.974666
"473271"	1836.172366	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M-2H+Na"	20.974666
"862011"	626.040566	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-2H+Na"	20.974666
"1624986"	626.040566	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Na-2H"	20.974666
"103701"	622.046963	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M-H+Cl"	33.962126
"542166"	924.579913	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M-H+Cl"	33.962126
"938963"	319.514013	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-H+Cl"	33.962126
"278614"	1245.101202	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+Cl"	34.969402
"670669"	1850.167102	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+Cl"	34.969402
"1280885"	640.035302	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Cl"	34.969402
"18338"	1247.080406	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M-2H+K"	36.948606
"463365"	1852.146306	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M-2H+K"	36.948606
"840074"	642.014506	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-2H+K"	36.948606
"1564657"	642.014506	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+K-2H"	36.948606
"954728"	650.064094	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-H+HCOOH"	44.998194
"375382"	1255.130001	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+HCOOH-H"	44.998201
"357922"	1269.145651	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+Hac-H"	59.013851
"1507978"	664.079751	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Hac-H"	59.013851
"971384"	672.046051	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-H+NaCOOH"	66.980151
"121748"	640.035302	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+2Cl"	69.938804
"559487"	942.568252	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+2Cl"	69.938804
"1024276"	337.502352	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2Cl"	69.938804
"1246772"	683.984785	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Br"	78.918885
"1311409"	686.040772	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Cl+HCOOH"	80.974872
"1332916"	708.022729	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Cl+NaCOOH"	102.956829
"925437"	718.051486	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M-H+CF3COOH"	112.985586
"1302508"	754.028164	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Cl+CF3COOH"	148.962264
"1375926"	570.053224	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H-2H2O"	-35.012676
"1390142"	588.0632	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H-H2O"	-17.0027
"290921"	1211.139076	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+H"	1.007276
"688085"	1816.204976	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+H"	1.007276
"1361520"	606.073176	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H"	1.007276
"136960"	606.073176	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+2H"	2.014552
"574333"	908.606126	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+2H"	2.014552
"1046413"	303.540226	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2H"	2.014552
"207754"	404.384542666667	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+3H"	3.021828
"651692"	606.073176	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+3H"	3.021828
"1169817"	202.695909333333	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+3H"	3.021828
"433088"	1228.165623	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+NH4"	18.033823
"796271"	1833.231523	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+NH4"	18.033823
"1692602"	623.099723	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+NH4"	18.033823
"334684"	614.5864495	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+H+NH4"	19.041099
"731114"	917.1193995	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+H+NH4"	19.041099
"1482748"	312.0534995	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H+NH4"	19.041099
"399241"	1233.121018	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+Na"	22.989218
"755498"	1838.186918	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+Na"	22.989218
"1607606"	628.055118	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Na"	22.989218
"328343"	617.064147	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+H+Na"	23.996494
"721008"	919.597097	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+H+Na"	23.996494
"1471180"	314.531197	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H+Na"	23.996494
"1054946"	210.023223333333	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2H+Na"	25.00377
"1263920"	638.099386	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+CH3OH+H"	33.033486
"382495"	1249.094958	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+K"	38.963158
"751145"	1854.160858	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+K"	38.963158
"1548823"	644.029058	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+K"	38.963158
"302716"	625.051117	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+H+K"	39.970434
"691895"	927.584067	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+H+K"	39.970434
"1448955"	322.518167	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H+K"	39.970434
"237922"	1252.165626	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+ACN+H"	42.033826
"1214640"	647.099726	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+ACN+H"	42.033826
"1195604"	324.053501	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+ACN+2H"	43.041102
"190300"	1255.10296	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+2Na-H"	44.97116
"630111"	1860.16886	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+2Na-H"	44.97116
"1142128"	650.03706	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2Na-H"	44.97116
"179585"	628.055118	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+2Na"	45.978436
"615864"	930.588068	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+2Na"	45.978436
"1119006"	325.522168	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2Na"	45.978436
"1402166"	217.350537333333	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H+2Na"	46.985712
"1433554"	652.078646	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H+HCOOH"	47.012746
"224343"	633.08814	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+3H2O+2H"	56.04448
"1512769"	666.13069	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+IsoProp+H"	61.06479
"417195"	636.042088	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+Na+K"	61.952376
"777096"	938.575038	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+Na+K"	61.952376
"1671241"	333.509138	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Na+K"	61.952376
"252291"	1274.147568	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+ACN+Na"	64.015768
"1230103"	669.081668	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+ACN+Na"	64.015768
"1717167"	669.105193	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+NH4+HCOOH"	64.039293
"1182521"	224.677851333333	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+3Na"	68.967654
"1654601"	674.060588	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Na+HCOOH"	68.994688
"160368"	1287.05084	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+2K-H"	76.91904
"598106"	1892.11674	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+2K-H"	76.91904
"1086262"	681.98494	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2K-H"	76.91904
"144537"	644.029058	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"2M+2K"	77.926316
"584099"	946.562008	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"3M+2K"	77.926316
"1075178"	341.496108	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2K"	77.926316
"1109481"	683.999492	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2K+H"	78.933592
"1339303"	684.087107	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+DMSO+H"	79.021207
"1012210"	688.126276	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2ACN+H"	83.060376
"1533622"	689.119908	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+IsoProp+Na+H"	84.054008
"1002257"	344.566776	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+2ACN+2H"	84.067652
"1595664"	690.034528	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+K+HCOOH"	84.968628
"1416950"	720.066038	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+H+CF3COOH"	115.000138
"1150521"	365.080051	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+3ACN+2H"	125.094202
"1702259"	737.092585	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+NH4+CF3COOH"	132.026685
"1639004"	742.04798	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+Na+CF3COOH"	136.98208
"1580123"	758.02192	"C20849"	"UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose"	"C17H25N3O17P2"	"605.0659"	"M+K+CF3COOH"	152.95602
"803927"	148.0848	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M"	0
"976730"	129.06641	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-H2O-H"	-19.01839
"73361"	97.715924	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M-3H"	-3.021828
"514015"	147.077524	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M-3H"	-3.021828
"888535"	48.354324	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-3H"	-3.021828
"6017"	147.077524	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M-2H"	-2.014552
"445576"	221.119924	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M-2H"	-2.014552
"819006"	73.035124	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-2H"	-2.014552
"81184"	295.162324	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M-H"	-1.007276
"527305"	443.247124	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M-H"	-1.007276
"896120"	147.077524	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-H"	-1.007276
"47570"	312.188871	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M-2H+NH4"	16.019271
"489208"	460.273671	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M-2H+NH4"	16.019271
"866283"	164.104071	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-2H+NH4"	16.019271
"34912"	317.144266	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M-2H+Na"	20.974666
"474474"	465.229066	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M-2H+Na"	20.974666
"861028"	169.059466	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-2H+Na"	20.974666
"1625096"	169.059466	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Na-2H"	20.974666
"104904"	165.065863	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M-H+Cl"	33.962126
"542276"	239.108263	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M-H+Cl"	33.962126
"938344"	91.023463	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-H+Cl"	33.962126
"278360"	331.139002	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+Cl"	34.969402
"670051"	479.223802	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+Cl"	34.969402
"1282088"	183.054202	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Cl"	34.969402
"21727"	333.118206	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M-2H+K"	36.948606
"463475"	481.203006	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M-2H+K"	36.948606
"840184"	185.033406	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-2H+K"	36.948606
"1562578"	185.033406	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+K-2H"	36.948606
"952646"	193.082994	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-H+HCOOH"	44.998194
"371958"	341.167801	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+HCOOH-H"	44.998201
"355843"	355.183451	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+Hac-H"	59.013851
"1506505"	207.098651	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Hac-H"	59.013851
"973525"	215.064951	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-H+NaCOOH"	66.980151
"121494"	183.054202	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+2Cl"	69.938804
"562147"	257.096602	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+2Cl"	69.938804
"1024751"	109.011802	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2Cl"	69.938804
"1249069"	227.003685	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Br"	78.918885
"1312612"	229.059672	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Cl+HCOOH"	80.974872
"1332297"	251.041629	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Cl+NaCOOH"	102.956829
"925911"	261.070386	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M-H+CF3COOH"	112.985586
"1301158"	297.047064	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Cl+CF3COOH"	148.962264
"1374942"	113.072124	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H-2H2O"	-35.012676
"1391346"	131.0821	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H-H2O"	-17.0027
"289938"	297.176876	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+H"	1.007276
"682363"	445.261676	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+H"	1.007276
"1361994"	149.092076	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H"	1.007276
"137070"	149.092076	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+2H"	2.014552
"573350"	223.134476	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+2H"	2.014552
"1045430"	75.049676	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2H"	2.014552
"207864"	99.730476	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+3H"	3.021828
"652896"	149.092076	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+3H"	3.021828
"1168834"	50.368876	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+3H"	3.021828
"433198"	314.203423	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+NH4"	18.033823
"797474"	462.288223	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+NH4"	18.033823
"1693805"	166.118623	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+NH4"	18.033823
"336616"	157.6053495	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+H+NH4"	19.041099
"731224"	231.6477495	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+H+NH4"	19.041099
"1480670"	83.5629495	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H+NH4"	19.041099
"402631"	319.158818	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+Na"	22.989218
"756335"	467.243618	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+Na"	22.989218
"1603583"	171.074018	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Na"	22.989218
"327964"	160.083047	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+H+Na"	23.996494
"719656"	234.125447	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+H+Na"	23.996494
"1470196"	86.040647	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H+Na"	23.996494
"1057606"	57.69619	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2H+Na"	25.00377
"1262936"	181.118286	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+CH3OH+H"	33.033486
"382605"	335.132758	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+K"	38.963158
"749068"	483.217558	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+K"	38.963158
"1546746"	187.047958	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+K"	38.963158
"302826"	168.070017	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+H+K"	39.970434
"691965"	242.112417	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+H+K"	39.970434
"1450157"	94.027617	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H+K"	39.970434
"239854"	338.203426	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+ACN+H"	42.033826
"1214750"	190.118626	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+ACN+H"	42.033826
"1196078"	95.562951	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+ACN+2H"	43.041102
"191503"	341.14076	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+2Na-H"	44.97116
"628964"	489.22556	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+2Na-H"	44.97116
"1138957"	193.05596	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2Na-H"	44.97116
"175077"	171.074018	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+2Na"	45.978436
"614881"	245.116418	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+2Na"	45.978436
"1117049"	97.031618	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2Na"	45.978436
"1402276"	65.023504	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H+2Na"	46.985712
"1431232"	195.097546	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H+HCOOH"	47.012746
"223359"	176.10704	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+3H2O+2H"	56.04448
"1509598"	209.14959	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+IsoProp+H"	61.06479
"410014"	179.060988	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+Na+K"	61.952376
"771009"	253.103388	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+Na+K"	61.952376
"1665878"	105.018588	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Na+K"	61.952376
"251906"	360.185368	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+ACN+Na"	64.015768
"1226568"	212.100568	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+ACN+Na"	64.015768
"1713386"	212.124093	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+NH4+HCOOH"	64.039293
"1180808"	72.350818	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+3Na"	68.967654
"1654711"	217.079488	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Na+HCOOH"	68.994688
"157927"	373.08864	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+2K-H"	76.91904
"598218"	521.17344	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+2K-H"	76.91904
"1084914"	225.00384	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2K-H"	76.91904
"142824"	187.047958	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"2M+2K"	77.926316
"583844"	261.090358	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"3M+2K"	77.926316
"1076382"	113.005558	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2K"	77.926316
"1107405"	227.018392	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2K+H"	78.933592
"1340506"	227.106007	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+DMSO+H"	79.021207
"1012320"	231.145176	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2ACN+H"	83.060376
"1532639"	232.138808	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+IsoProp+Na+H"	84.054008
"1000181"	116.076226	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+2ACN+2H"	84.067652
"1592494"	233.053428	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+K+HCOOH"	84.968628
"1415967"	263.084938	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+H+CF3COOH"	115.000138
"1152817"	136.589501	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+3ACN+2H"	125.094202
"1704555"	280.111485	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+NH4+CF3COOH"	132.026685
"1639114"	285.06688	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+Na+CF3COOH"	136.98208
"1580233"	301.04082	"C20850"	"N5-Hydroxy-L-ornithine;delta-N-Hydroxyornithine"	"C5H12N2O3"	"148.0848"	"M+K+CF3COOH"	152.95602
"807317"	324.2301	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M"	0
"981943"	305.21171	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-H2O-H"	-19.01839
"76751"	215.146124	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M-3H"	-3.021828
"515218"	323.222824	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M-3H"	-3.021828
"890832"	107.069424	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-3H"	-3.021828
"6127"	323.222824	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M-2H"	-2.014552
"445687"	485.337874	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M-2H"	-2.014552
"826771"	161.107774	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-2H"	-2.014552
"85670"	647.452924	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M-H"	-1.007276
"527415"	971.683024	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M-H"	-1.007276
"901943"	323.222824	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-H"	-1.007276
"50851"	664.479471	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M-2H+NH4"	16.019271
"494785"	988.709571	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M-2H+NH4"	16.019271
"871496"	340.249371	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-2H+NH4"	16.019271
"42312"	669.434866	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M-2H+Na"	20.974666
"474584"	993.664966	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M-2H+Na"	20.974666
"858587"	345.204766	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-2H+Na"	20.974666
"1625206"	345.204766	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Na-2H"	20.974666
"105743"	341.211163	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M-H+Cl"	33.962126
"541293"	503.326213	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M-H+Cl"	33.962126
"939912"	179.096113	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-H+Cl"	33.962126
"281510"	683.429602	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+Cl"	34.969402
"670526"	1007.659702	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+Cl"	34.969402
"1280376"	359.199502	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Cl"	34.969402
"22931"	685.408806	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M-2H+K"	36.948606
"464679"	1009.638906	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M-2H+K"	36.948606
"842481"	361.178706	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-2H+K"	36.948606
"1563782"	361.178706	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+K-2H"	36.948606
"952756"	369.228294	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-H+HCOOH"	44.998194
"370975"	693.458401	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+HCOOH-H"	44.998201
"352672"	707.474051	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+Hac-H"	59.013851
"1506978"	383.243951	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Hac-H"	59.013851
"973428"	391.210251	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-H+NaCOOH"	66.980151
"125014"	359.199502	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+2Cl"	69.938804
"564452"	521.314552	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+2Cl"	69.938804
"1032516"	197.084452	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2Cl"	69.938804
"1255375"	403.148985	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Br"	78.918885
"1318554"	405.204972	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Cl+HCOOH"	80.974872
"1331312"	427.186929	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Cl+NaCOOH"	102.956829
"926993"	437.215686	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M-H+CF3COOH"	112.985586
"1302361"	473.192364	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Cl+CF3COOH"	148.962264
"1375052"	289.217424	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H-2H2O"	-35.012676
"1392549"	307.2274	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H-H2O"	-17.0027
"290047"	649.467476	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+H"	1.007276
"684660"	973.697576	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+H"	1.007276
"1362104"	325.237376	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H"	1.007276
"136088"	325.237376	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+2H"	2.014552
"571273"	487.352426	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+2H"	2.014552
"1046633"	163.122326	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2H"	2.014552
"207974"	217.160676	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+3H"	3.021828
"655192"	325.237376	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+3H"	3.021828
"1168944"	109.083976	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+3H"	3.021828
"433308"	666.494023	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+NH4"	18.033823
"796491"	990.724123	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+NH4"	18.033823
"1693915"	342.263923	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+NH4"	18.033823
"337820"	333.7506495	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+H+NH4"	19.041099
"734614"	495.8656995	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+H+NH4"	19.041099
"1479687"	171.6355995	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H+NH4"	19.041099
"406021"	671.449418	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+Na"	22.989218
"759363"	995.679518	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+Na"	22.989218
"1605638"	347.219318	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Na"	22.989218
"324063"	336.228347	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+H+Na"	23.996494
"719766"	498.343397	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+H+Na"	23.996494
"1468119"	174.113297	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H+Na"	23.996494
"1056987"	116.41129	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2H+Na"	25.00377
"1267420"	357.263586	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+CH3OH+H"	33.033486
"388182"	687.423358	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+K"	38.963158
"752458"	1011.653458	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+K"	38.963158
"1550137"	363.193258	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+K"	38.963158
"302936"	344.215317	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+H+K"	39.970434
"694263"	506.330367	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+H+K"	39.970434
"1453547"	182.100267	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H+K"	39.970434
"242152"	690.494026	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+ACN+H"	42.033826
"1214860"	366.263926	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+ACN+H"	42.033826
"1198742"	183.635601	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+ACN+2H"	43.041102
"191248"	693.43136	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+2Na-H"	44.97116
"629602"	1017.66146	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+2Na-H"	44.97116
"1139431"	369.20126	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2Na-H"	44.97116
"175066"	347.219318	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+2Na"	45.978436
"615355"	509.334368	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+2Na"	45.978436
"1119226"	185.104268	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2Na"	45.978436
"1403115"	123.738604	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H+2Na"	46.985712
"1431950"	371.242846	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H+HCOOH"	47.012746
"223469"	352.25234	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+3H2O+2H"	56.04448
"1509708"	385.29489	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+IsoProp+H"	61.06479
"410124"	355.206288	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+Na+K"	61.952376
"771119"	517.321338	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+Na+K"	61.952376
"1665987"	193.091238	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Na+K"	61.952376
"251653"	712.475968	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+ACN+Na"	64.015768
"1226678"	388.245868	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+ACN+Na"	64.015768
"1713375"	388.269393	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+NH4+HCOOH"	64.039293
"1180555"	131.065918	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+3Na"	68.967654
"1653728"	393.224788	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Na+HCOOH"	68.994688
"157549"	725.37924	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+2K-H"	76.91904
"599054"	1049.60934	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+2K-H"	76.91904
"1084661"	401.14914	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2K-H"	76.91904
"142936"	363.193258	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"2M+2K"	77.926316
"582496"	525.308308	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"3M+2K"	77.926316
"1074306"	201.078208	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2K"	77.926316
"1106422"	403.163692	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2K+H"	78.933592
"1339523"	403.251307	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+DMSO+H"	79.021207
"1010244"	407.290476	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2ACN+H"	83.060376
"1530561"	408.284108	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+IsoProp+Na+H"	84.054008
"995915"	204.148876	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+2ACN+2H"	84.067652
"1589324"	409.198728	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+K+HCOOH"	84.968628
"1414983"	439.230238	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+H+CF3COOH"	115.000138
"1147458"	224.662151	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+3ACN+2H"	125.094202
"1700292"	456.256785	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+NH4+CF3COOH"	132.026685
"1639224"	461.21218	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+Na+CF3COOH"	136.98208
"1578156"	477.18612	"C20851"	"Dihydromonacolin L acid"	"C19H32O4"	"324.2301"	"M+K+CF3COOH"	152.95602
"810708"	340.225	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M"	0
"987523"	321.20661	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-H2O-H"	-19.01839
"75770"	225.809390666667	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M-3H"	-3.021828
"517517"	339.217724	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M-3H"	-3.021828
"894591"	112.401057333333	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-3H"	-3.021828
"12802"	339.217724	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M-2H"	-2.014552
"454546"	509.330224	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M-2H"	-2.014552
"829068"	169.105224	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-2H"	-2.014552
"90155"	679.442724	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M-H"	-1.007276
"532630"	1019.667724	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M-H"	-1.007276
"904240"	339.217724	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-H"	-1.007276
"50961"	696.469271	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M-2H+NH4"	16.019271
"497082"	1036.694271	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M-2H+NH4"	16.019271
"873793"	356.244271	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-2H+NH4"	16.019271
"42788"	701.424666	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M-2H+Na"	20.974666
"475788"	1041.649666	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M-2H+Na"	20.974666
"857968"	361.199666	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-2H+Na"	20.974666
"1627503"	361.199666	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Na-2H"	20.974666
"105853"	357.206063	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M-H+Cl"	33.962126
"542496"	527.318563	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M-H+Cl"	33.962126
"937835"	187.093563	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-H+Cl"	33.962126
"279673"	715.419402	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+Cl"	34.969402
"670636"	1055.644402	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+Cl"	34.969402
"1281579"	375.194402	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Cl"	34.969402
"21948"	717.398606	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M-2H+K"	36.948606
"464789"	1057.623606	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M-2H+K"	36.948606
"845145"	377.173606	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-2H+K"	36.948606
"1567540"	377.173606	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+K-2H"	36.948606
"951776"	385.223194	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-H+HCOOH"	44.998194
"372910"	725.448201	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+HCOOH-H"	44.998201
"359711"	739.463851	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+Hac-H"	59.013851
"1506971"	399.238851	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Hac-H"	59.013851
"972445"	407.205151	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-H+NaCOOH"	66.980151
"123542"	375.194402	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+2Cl"	69.938804
"564074"	545.306902	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+2Cl"	69.938804
"1031897"	205.081902	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2Cl"	69.938804
"1250382"	419.143885	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Br"	78.918885
"1317206"	421.199872	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Cl+HCOOH"	80.974872
"1329235"	443.181829	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Cl+NaCOOH"	102.956829
"924671"	453.210586	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M-H+CF3COOH"	112.985586
"1301377"	489.187264	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Cl+CF3COOH"	148.962264
"1374069"	305.212324	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H-2H2O"	-35.012676
"1394846"	323.2223	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H-H2O"	-17.0027
"289066"	681.457276	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+H"	1.007276
"685863"	1021.682276	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+H"	1.007276
"1361121"	341.232276	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H"	1.007276
"137290"	341.232276	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+2H"	2.014552
"571383"	511.344776	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+2H"	2.014552
"1044556"	171.119776	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2H"	2.014552
"204803"	227.823942666667	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+3H"	3.021828
"654209"	341.232276	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+3H"	3.021828
"1169054"	114.415609333333	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+3H"	3.021828
"430138"	698.483823	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+NH4"	18.033823
"797694"	1038.708823	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+NH4"	18.033823
"1691838"	358.258823	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+NH4"	18.033823
"334649"	349.7455495	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+H+NH4"	19.041099
"729257"	519.8580495	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+H+NH4"	19.041099
"1479067"	179.6330495	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H+NH4"	19.041099
"397383"	703.439218	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+Na"	22.989218
"759470"	1043.664218	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+Na"	22.989218
"1608662"	363.214218	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Na"	22.989218
"321986"	352.223247	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+H+Na"	23.996494
"719512"	522.335747	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+H+Na"	23.996494
"1468229"	182.110747	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H+Na"	23.996494
"1057097"	121.742923333333	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2H+Na"	25.00377
"1266436"	373.258486	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+CH3OH+H"	33.033486
"387198"	719.413158	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+K"	38.963158
"752567"	1059.638158	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+K"	38.963158
"1546966"	379.188158	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+K"	38.963158
"301953"	360.210217	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+H+K"	39.970434
"697652"	530.322717	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+H+K"	39.970434
"1453657"	190.097717	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H+K"	39.970434
"245542"	722.483826	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+ACN+H"	42.033826
"1217157"	382.258826	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+ACN+H"	42.033826
"1204320"	191.633051	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+ACN+2H"	43.041102
"200471"	725.42116	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+2Na-H"	44.97116
"633480"	1065.64616	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+2Na-H"	44.97116
"1139541"	385.19616	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2Na-H"	44.97116
"177363"	363.214218	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+2Na"	45.978436
"618745"	533.326718	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+2Na"	45.978436
"1124439"	193.101718	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2Na"	45.978436
"1403225"	129.070237333333	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H+2Na"	46.985712
"1431452"	387.237746	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H+HCOOH"	47.012746
"225402"	368.24724	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+3H2O+2H"	56.04448
"1511641"	401.28979	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+IsoProp+H"	61.06479
"410963"	371.201188	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+Na+K"	61.952376
"772322"	541.313688	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+Na+K"	61.952376
"1667194"	201.088688	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Na+K"	61.952376
"253713"	744.465768	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+ACN+Na"	64.015768
"1228611"	404.240768	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+ACN+Na"	64.015768
"1714581"	404.264293	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+NH4+HCOOH"	64.039293
"1185039"	136.397551333333	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+3Na"	68.967654
"1660399"	409.219688	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Na+HCOOH"	68.994688
"160699"	757.36904	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+2K-H"	76.91904
"600259"	1097.59404	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+2K-H"	76.91904
"1088052"	417.14404	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2K-H"	76.91904
"144869"	379.188158	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"2M+2K"	77.926316
"586616"	549.300658	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"3M+2K"	77.926316
"1075509"	209.075658	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2K"	77.926316
"1107625"	419.158592	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2K+H"	78.933592
"1340725"	419.246207	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+DMSO+H"	79.021207
"1009261"	423.285376	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2ACN+H"	83.060376
"1525202"	424.279008	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+IsoProp+Na+H"	84.054008
"990310"	212.146326	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+2ACN+2H"	84.067652
"1587284"	425.193628	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+K+HCOOH"	84.968628
"1415092"	455.225138	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+H+CF3COOH"	115.000138
"1147065"	232.659601	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+3ACN+2H"	125.094202
"1698215"	472.251685	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+NH4+CF3COOH"	132.026685
"1635080"	477.20708	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+Na+CF3COOH"	136.98208
"1577173"	493.18102	"C20852"	"3alpha-Hydroxy-35-dihydromonacolin L acid"	"C19H32O5"	"340.225"	"M+K+CF3COOH"	152.95602
"809725"	322.2144	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M"	0
"981069"	303.19601	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-H2O-H"	-19.01839
"75881"	213.802324	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M-3H"	-3.021828
"516534"	321.207124	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M-3H"	-3.021828
"894336"	106.397524	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-3H"	-3.021828
"14979"	321.207124	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M-2H"	-2.014552
"455345"	482.314324	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M-2H"	-2.014552
"829179"	160.099924	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-2H"	-2.014552
"86985"	643.421524	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M-H"	-1.007276
"530918"	965.635924	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M-H"	-1.007276
"903257"	321.207124	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-H"	-1.007276
"53258"	660.448071	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M-2H+NH4"	16.019271
"498287"	982.662471	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M-2H+NH4"	16.019271
"874996"	338.233671	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-2H+NH4"	16.019271
"43990"	665.403466	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M-2H+Na"	20.974666
"475898"	987.617866	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M-2H+Na"	20.974666
"855889"	343.189066	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-2H+Na"	20.974666
"1629435"	343.189066	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Na-2H"	20.974666
"105599"	339.195463	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M-H+Cl"	33.962126
"543699"	500.302663	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M-H+Cl"	33.962126
"937581"	178.088263	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-H+Cl"	33.962126
"280876"	679.398202	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+Cl"	34.969402
"671110"	1001.612602	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+Cl"	34.969402
"1280596"	357.183802	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Cl"	34.969402
"23151"	681.377406	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M-2H+K"	36.948606
"464899"	1003.591806	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M-2H+K"	36.948606
"847442"	359.163006	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-2H+K"	36.948606
"1564002"	359.163006	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+K-2H"	36.948606
"949697"	367.212594	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-H+HCOOH"	44.998194
"369005"	689.427001	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+HCOOH-H"	44.998201
"354347"	703.442651	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+Hac-H"	59.013851
"1507924"	381.228251	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Hac-H"	59.013851
"972918"	389.194551	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-H+NaCOOH"	66.980151
"124016"	357.183802	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+2Cl"	69.938804
"563940"	518.291002	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+2Cl"	69.938804
"1031643"	196.076602	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2Cl"	69.938804
"1249399"	401.133285	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Br"	78.918885
"1318410"	403.189272	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Cl+HCOOH"	80.974872
"1329345"	425.171229	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Cl+NaCOOH"	102.956829
"925510"	435.199986	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M-H+CF3COOH"	112.985586
"1301852"	471.176664	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Cl+CF3COOH"	148.962264
"1378554"	287.201724	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H-2H2O"	-35.012676
"1391678"	305.2117	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H-H2O"	-17.0027
"289176"	645.436076	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+H"	1.007276
"682693"	967.650476	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+H"	1.007276
"1353936"	323.221676	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H"	1.007276
"134119"	323.221676	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+2H"	2.014552
"569668"	484.328876	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+2H"	2.014552
"1044666"	162.114476	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2H"	2.014552
"207099"	215.816876	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+3H"	3.021828
"653226"	323.221676	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+3H"	3.021828
"1169164"	108.412076	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+3H"	3.021828
"430248"	662.462623	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+NH4"	18.033823
"796711"	984.677023	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+NH4"	18.033823
"1690855"	340.248223	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+NH4"	18.033823
"332573"	331.7349495	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+H+NH4"	19.041099
"729367"	492.8421495	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+H+NH4"	19.041099
"1479906"	170.6277495	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H+NH4"	19.041099
"396400"	667.418018	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+Na"	22.989218
"755573"	989.632418	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+Na"	22.989218
"1605856"	345.203618	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Na"	22.989218
"322095"	334.212647	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+H+Na"	23.996494
"719986"	495.319847	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+H+Na"	23.996494
"1468339"	173.105447	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H+Na"	23.996494
"1059394"	115.73939	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2H+Na"	25.00377
"1265452"	355.247886	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+CH3OH+H"	33.033486
"387308"	683.391958	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+K"	38.963158
"750491"	1005.606358	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+K"	38.963158
"1547076"	361.177558	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+K"	38.963158
"303156"	342.199617	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+H+K"	39.970434
"697762"	503.306817	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+H+K"	39.970434
"1448300"	181.092417	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H+K"	39.970434
"243465"	686.462626	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+ACN+H"	42.033826
"1216174"	364.248226	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+ACN+H"	42.033826
"1204431"	182.627751	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+ACN+2H"	43.041102
"200581"	689.39996	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+2Na-H"	44.97116
"634683"	1011.61436	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+2Na-H"	44.97116
"1139287"	367.18556	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2Na-H"	44.97116
"177472"	345.203618	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+2Na"	45.978436
"617397"	506.310818	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+2Na"	45.978436
"1126736"	184.096418	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2Na"	45.978436
"1402607"	123.066704	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H+2Na"	46.985712
"1431319"	369.227146	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H+HCOOH"	47.012746
"226605"	350.23664	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+3H2O+2H"	56.04448
"1511387"	383.27919	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+IsoProp+H"	61.06479
"410465"	353.190588	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+Na+K"	61.952376
"776443"	514.297788	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+Na+K"	61.952376
"1670586"	192.083388	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Na+K"	61.952376
"258197"	708.444568	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+ACN+Na"	64.015768
"1227628"	386.230168	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+ACN+Na"	64.015768
"1717608"	386.253693	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+NH4+HCOOH"	64.039293
"1186242"	130.394018	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+3Na"	68.967654
"1661603"	391.209088	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Na+HCOOH"	68.994688
"160811"	721.34784	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+2K-H"	76.91904
"602556"	1043.56224	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+2K-H"	76.91904
"1087070"	399.13344	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2K-H"	76.91904
"147163"	361.177558	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"2M+2K"	77.926316
"587818"	522.284758	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"3M+2K"	77.926316
"1073430"	200.070358	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2K"	77.926316
"1107735"	401.147992	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2K+H"	78.933592
"1343023"	401.235607	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+DMSO+H"	79.021207
"1010464"	405.274776	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2ACN+H"	83.060376
"1525185"	406.268408	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+IsoProp+Na+H"	84.054008
"991029"	203.141026	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+2ACN+2H"	84.067652
"1588813"	407.183028	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+K+HCOOH"	84.968628
"1415199"	437.214538	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+H+CF3COOH"	115.000138
"1148405"	223.654301	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+3ACN+2H"	125.094202
"1697595"	454.241085	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+NH4+CF3COOH"	132.026685
"1635433"	459.19648	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+Na+CF3COOH"	136.98208
"1577283"	475.17042	"C20853"	"Monacolin L acid"	"C19H30O4"	"322.2144"	"M+K+CF3COOH"	152.95602
"804367"	338.2093	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M"	0
"977899"	319.19091	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-H2O-H"	-19.01839
"77816"	224.465590666667	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M-3H"	-3.021828
"517981"	337.202024	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M-3H"	-3.021828
"894324"	111.729157333333	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-3H"	-3.021828
"14605"	337.202024	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M-2H"	-2.014552
"455482"	506.306674	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M-2H"	-2.014552
"829289"	168.097374	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-2H"	-2.014552
"87095"	675.411324	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M-H"	-1.007276
"531760"	1013.620624	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M-H"	-1.007276
"903367"	337.202024	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-H"	-1.007276
"53368"	692.437871	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M-2H+NH4"	16.019271
"498397"	1030.647171	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M-2H+NH4"	16.019271
"874742"	354.228571	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-2H+NH4"	16.019271
"44102"	697.393266	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M-2H+Na"	20.974666
"476008"	1035.602566	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M-2H+Na"	20.974666
"858185"	359.183966	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-2H+Na"	20.974666
"1628450"	359.183966	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Na-2H"	20.974666
"106073"	355.190363	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M-H+Cl"	33.962126
"543809"	524.295013	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M-H+Cl"	33.962126
"937326"	186.085713	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-H+Cl"	33.962126
"280622"	711.388002	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+Cl"	34.969402
"671220"	1049.597302	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+Cl"	34.969402
"1280706"	373.178702	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Cl"	34.969402
"24353"	713.367206	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M-2H+K"	36.948606
"466102"	1051.576506	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M-2H+K"	36.948606
"845001"	375.157906	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-2H+K"	36.948606
"1561926"	375.157906	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+K-2H"	36.948606
"949806"	383.207494	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-H+HCOOH"	44.998194
"369115"	721.416801	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+HCOOH-H"	44.998201
"354092"	735.432451	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+Hac-H"	59.013851
"1508278"	397.223151	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Hac-H"	59.013851
"972661"	405.189451	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-H+NaCOOH"	66.980151
"124853"	373.178702	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+2Cl"	69.938804
"564049"	542.283352	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+2Cl"	69.938804
"1028837"	204.074052	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2Cl"	69.938804
"1249509"	417.128185	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Br"	78.918885
"1317426"	419.184172	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Cl+HCOOH"	80.974872
"1329455"	441.166129	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Cl+NaCOOH"	102.956829
"921608"	451.194886	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M-H+CF3COOH"	112.985586
"1298317"	487.171564	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Cl+CF3COOH"	148.962264
"1378664"	303.196624	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H-2H2O"	-35.012676
"1396161"	321.2066	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H-H2O"	-17.0027
"289286"	677.425876	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+H"	1.007276
"678430"	1015.635176	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+H"	1.007276
"1355871"	339.216576	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H"	1.007276
"127665"	339.216576	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+2H"	2.014552
"566254"	508.321226	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+2H"	2.014552
"1039672"	170.111926	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2H"	2.014552
"206116"	226.480142666667	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+3H"	3.021828
"652243"	339.216576	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+3H"	3.021828
"1169274"	113.743709333333	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+3H"	3.021828
"429265"	694.452423	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+NH4"	18.033823
"796821"	1032.661723	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+NH4"	18.033823
"1692058"	356.243123	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+NH4"	18.033823
"333047"	347.7298495	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+H+NH4"	19.041099
"729477"	516.8344995	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+H+NH4"	19.041099
"1480016"	178.6251995	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H+NH4"	19.041099
"393958"	699.407818	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+Na"	22.989218
"756411"	1037.617118	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+Na"	22.989218
"1604144"	361.198518	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Na"	22.989218
"322205"	350.207547	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+H+Na"	23.996494
"720096"	519.312197	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+H+Na"	23.996494
"1468449"	181.102897	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H+Na"	23.996494
"1059504"	121.071023333333	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2H+Na"	25.00377
"1263375"	371.242786	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+CH3OH+H"	33.033486
"383044"	715.381758	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+K"	38.963158
"749507"	1053.591058	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+K"	38.963158
"1547185"	377.172458	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+K"	38.963158
"300346"	358.194517	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+H+K"	39.970434
"692768"	527.299167	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+H+K"	39.970434
"1448410"	189.089867	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H+K"	39.970434
"240293"	718.452426	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+ACN+H"	42.033826
"1216284"	380.243126	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+ACN+H"	42.033826
"1203447"	190.625201	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+ACN+2H"	43.041102
"193037"	721.38976	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+2Na-H"	44.97116
"630782"	1059.59906	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+2Na-H"	44.97116
"1139397"	383.18046	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2Na-H"	44.97116
"177582"	361.198518	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+2Na"	45.978436
"618236"	530.303168	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+2Na"	45.978436
"1121743"	192.093868	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2Na"	45.978436
"1403079"	128.398337333333	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H+2Na"	46.985712
"1431915"	385.222046	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H+HCOOH"	47.012746
"226715"	366.23154	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+3H2O+2H"	56.04448
"1512225"	399.27409	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+IsoProp+H"	61.06479
"411911"	369.185488	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+Na+K"	61.952376
"779833"	538.290138	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+Na+K"	61.952376
"1671787"	200.080838	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Na+K"	61.952376
"256120"	740.434368	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+ACN+Na"	64.015768
"1228098"	402.225068	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+ACN+Na"	64.015768
"1714072"	402.248593	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+NH4+HCOOH"	64.039293
"1181978"	135.725651333333	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+3Na"	68.967654
"1659525"	407.203988	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Na+HCOOH"	68.994688
"160920"	753.33764	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+2K-H"	76.91904
"601572"	1091.54694	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+2K-H"	76.91904
"1085718"	415.12834	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2K-H"	76.91904
"143995"	377.172458	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"2M+2K"	77.926316
"586834"	546.277108	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"3M+2K"	77.926316
"1075726"	208.067808	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2K"	77.926316
"1108938"	417.142892	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2K+H"	78.933592
"1342039"	417.230507	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+DMSO+H"	79.021207
"1011667"	421.269676	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2ACN+H"	83.060376
"1525663"	422.263308	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+IsoProp+Na+H"	84.054008
"990894"	211.138476	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+2ACN+2H"	84.067652
"1588923"	423.177928	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+K+HCOOH"	84.968628
"1415311"	453.209438	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+H+CF3COOH"	115.000138
"1147543"	231.651751	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+3ACN+2H"	125.094202
"1697705"	470.235985	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+NH4+CF3COOH"	132.026685
"1636272"	475.19138	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+Na+CF3COOH"	136.98208
"1577393"	491.16532	"C20854"	"Monacolin J acid"	"C19H30O5"	"338.2093"	"M+K+CF3COOH"	152.95602
"809945"	344.2351	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M"	0
"985666"	325.21671	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-H2O-H"	-19.01839
"76101"	228.482790666667	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M-3H"	-3.021828
"514567"	343.227824	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M-3H"	-3.021828
"894192"	113.737757333333	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-3H"	-3.021828
"13861"	343.227824	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M-2H"	-2.014552
"447225"	515.345374	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M-2H"	-2.014552
"827214"	171.110274	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-2H"	-2.014552
"83926"	687.462924	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M-H"	-1.007276
"525675"	1031.698024	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M-H"	-1.007276
"898011"	343.227824	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-H"	-1.007276
"53478"	704.489471	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M-2H+NH4"	16.019271
"493041"	1048.724571	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M-2H+NH4"	16.019271
"871936"	360.254371	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-2H+NH4"	16.019271
"42753"	709.444866	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M-2H+Na"	20.974666
"475024"	1053.679966	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M-2H+Na"	20.974666
"857202"	365.209766	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-2H+Na"	20.974666
"1628926"	365.209766	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Na-2H"	20.974666
"104360"	361.216163	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M-H+Cl"	33.962126
"546473"	533.333713	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M-H+Cl"	33.962126
"937436"	189.098613	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-H+Cl"	33.962126
"280732"	723.439602	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+Cl"	34.969402
"671331"	1067.674702	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+Cl"	34.969402
"1278631"	379.204502	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Cl"	34.969402
"26650"	725.418806	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M-2H+K"	36.948606
"467308"	1069.653906	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M-2H+K"	36.948606
"844382"	381.183706	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-2H+K"	36.948606
"1566776"	381.183706	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+K-2H"	36.948606
"952106"	389.233294	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-H+HCOOH"	44.998194
"369227"	733.468401	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+HCOOH-H"	44.998201
"353110"	747.484051	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+Hac-H"	59.013851
"1506689"	403.248951	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Hac-H"	59.013851
"972041"	411.215251	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-H+NaCOOH"	66.980151
"123137"	379.204502	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+2Cl"	69.938804
"563795"	551.322052	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+2Cl"	69.938804
"1031500"	207.086952	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2Cl"	69.938804
"1249619"	423.153985	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Br"	78.918885
"1317536"	425.209972	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Cl+HCOOH"	80.974872
"1329565"	447.191929	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Cl+NaCOOH"	102.956829
"925973"	457.220686	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M-H+CF3COOH"	112.985586
"1301709"	493.197364	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Cl+CF3COOH"	148.962264
"1377684"	309.222424	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H-2H2O"	-35.012676
"1395178"	327.2324	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H-H2O"	-17.0027
"292676"	689.477476	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+H"	1.007276
"681820"	1033.712576	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+H"	1.007276
"1359261"	345.242376	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H"	1.007276
"127778"	345.242376	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+2H"	2.014552
"566607"	517.359926	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+2H"	2.014552
"1039418"	173.124826	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2H"	2.014552
"207320"	230.497342666667	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+3H"	3.021828
"655633"	345.242376	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+3H"	3.021828
"1174853"	115.752309333333	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+3H"	3.021828
"433749"	706.504023	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+NH4"	18.033823
"798026"	1050.739123	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+NH4"	18.033823
"1691075"	362.268923	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+NH4"	18.033823
"332793"	353.7556495	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+H+NH4"	19.041099
"729587"	525.8731995	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+H+NH4"	19.041099
"1479034"	181.6380995	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H+NH4"	19.041099
"399902"	711.459418	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+Na"	22.989218
"756887"	1055.694518	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+Na"	22.989218
"1604983"	367.224318	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Na"	22.989218
"323408"	356.233347	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+H+Na"	23.996494
"720206"	528.350897	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+H+Na"	23.996494
"1469652"	184.115797	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H+Na"	23.996494
"1056698"	123.079623333333	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2H+Na"	25.00377
"1260201"	377.268586	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+CH3OH+H"	33.033486
"379869"	727.433358	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+K"	38.963158
"741957"	1071.668458	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+K"	38.963158
"1548390"	383.198258	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+K"	38.963158
"301190"	364.220317	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+H+K"	39.970434
"692147"	536.337867	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+H+K"	39.970434
"1450707"	192.102767	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H+K"	39.970434
"239311"	730.504026	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+ACN+H"	42.033826
"1218581"	386.268926	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+ACN+H"	42.033826
"1203557"	193.638101	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+ACN+2H"	43.041102
"194241"	733.44136	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+2Na-H"	44.97116
"630892"	1077.67646	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+2Na-H"	44.97116
"1135133"	389.20626	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2Na-H"	44.97116
"178423"	367.224318	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+2Na"	45.978436
"619077"	539.341868	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+2Na"	45.978436
"1125863"	195.106768	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2Na"	45.978436
"1402827"	130.406937333333	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H+2Na"	46.985712
"1443690"	391.247846	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H+HCOOH"	47.012746
"226826"	372.25734	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+3H2O+2H"	56.04448
"1511972"	405.29989	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+IsoProp+H"	61.06479
"414574"	375.211288	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+Na+K"	61.952376
"776664"	547.328838	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+Na+K"	61.952376
"1669713"	203.093738	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Na+K"	61.952376
"260606"	752.485968	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+ACN+Na"	64.015768
"1231128"	408.250868	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+ACN+Na"	64.015768
"1715642"	408.274393	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+NH4+HCOOH"	64.039293
"1185369"	137.734251333333	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+3Na"	68.967654
"1657449"	413.229788	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Na+HCOOH"	68.994688
"159937"	765.38924	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+2K-H"	76.91904
"599494"	1109.62434	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+2K-H"	76.91904
"1086195"	421.15414	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2K-H"	76.91904
"146292"	383.198258	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"2M+2K"	77.926316
"588038"	555.315808	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"3M+2K"	77.926316
"1071092"	211.080708	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2K"	77.926316
"1105763"	423.168692	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2K+H"	78.933592
"1341056"	423.256307	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+DMSO+H"	79.021207
"1010684"	427.295476	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2ACN+H"	83.060376
"1524801"	428.289108	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+IsoProp+Na+H"	84.054008
"990086"	214.151376	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+2ACN+2H"	84.067652
"1587819"	429.203728	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+K+HCOOH"	84.968628
"1415423"	459.235238	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+H+CF3COOH"	115.000138
"1147288"	234.664651	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+3ACN+2H"	125.094202
"1700729"	476.261785	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+NH4+CF3COOH"	132.026685
"1634315"	481.21718	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+Na+CF3COOH"	136.98208
"1577503"	497.19112	"C20855"	"22-Hydroxydocosahexaenoate;(4Z7Z10Z13Z16Z19Z)-22-Hydroxydocosahexaenoic acid"	"C22H32O3"	"344.2351"	"M+K+CF3COOH"	152.95602
"805680"	202.063	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M"	0
"978119"	183.04461	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H2O-H"	-19.01839
"68549"	133.701390666667	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-3H"	-3.021828
"517477"	201.055724	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-3H"	-3.021828
"892478"	66.3470573333333	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-3H"	-3.021828
"14946"	201.055724	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H"	-2.014552
"450615"	302.087224	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H"	-2.014552
"827324"	100.024224	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H"	-2.014552
"80756"	403.118724	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-H"	-1.007276
"530885"	605.181724	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-H"	-1.007276
"899214"	201.055724	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H"	-1.007276
"54681"	420.145271	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H+NH4"	16.019271
"493150"	622.208271	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H+NH4"	16.019271
"867672"	218.082271	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H+NH4"	16.019271
"43228"	425.100666	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H+Na"	20.974666
"476227"	627.163666	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H+Na"	20.974666
"857311"	223.037666	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H+Na"	20.974666
"1629035"	223.037666	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na-2H"	20.974666
"106292"	219.044063	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-H+Cl"	33.962126
"546217"	320.075563	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-H+Cl"	33.962126
"937545"	118.012563	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+Cl"	33.962126
"280843"	439.095402	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Cl"	34.969402
"668525"	641.158402	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+Cl"	34.969402
"1281654"	237.032402	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl"	34.969402
"25665"	441.074606	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M-2H+K"	36.948606
"466323"	643.137606	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M-2H+K"	36.948606
"843030"	239.011606	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-2H+K"	36.948606
"1564334"	239.011606	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K-2H"	36.948606
"952215"	247.061194	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+HCOOH"	44.998194
"371523"	449.124201	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+HCOOH-H"	44.998201
"353583"	463.139851	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Hac-H"	59.013851
"1507895"	261.076851	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Hac-H"	59.013851
"972517"	269.043151	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+NaCOOH"	66.980151
"123976"	237.032402	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2Cl"	69.938804
"565609"	338.063902	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2Cl"	69.938804
"1032338"	136.000902	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2Cl"	69.938804
"1249729"	280.981885	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Br"	78.918885
"1318011"	283.037872	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl+HCOOH"	80.974872
"1326755"	305.019829	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl+NaCOOH"	102.956829
"927046"	315.048586	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M-H+CF3COOH"	112.985586
"1302670"	351.025264	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Cl+CF3COOH"	148.962264
"1380830"	167.050324	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H-2H2O"	-35.012676
"1395288"	185.0603	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H-H2O"	-17.0027
"291692"	405.133276	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H"	1.007276
"681930"	607.196276	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H"	1.007276
"1359371"	203.070276	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H"	1.007276
"127887"	203.070276	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2H"	2.014552
"567808"	304.101776	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2H"	2.014552
"1041714"	102.038776	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2H"	2.014552
"209616"	135.715942666667	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+3H"	3.021828
"655743"	203.070276	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+3H"	3.021828
"1176056"	68.3616093333333	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+3H"	3.021828
"434952"	422.159823	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+NH4"	18.033823
"800322"	624.222823	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+NH4"	18.033823
"1694465"	220.096823	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+NH4"	18.033823
"336183"	211.5835495	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H+NH4"	19.041099
"728604"	312.6150495	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H+NH4"	19.041099
"1479508"	110.5520495	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+NH4"	19.041099
"400012"	427.115218	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Na"	22.989218
"757725"	629.178218	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+Na"	22.989218
"1608008"	225.052218	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na"	22.989218
"323518"	214.061247	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H+Na"	23.996494
"720316"	315.092747	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H+Na"	23.996494
"1469762"	113.029747	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+Na"	23.996494
"1056445"	75.6889233333333	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2H+Na"	25.00377
"1261405"	235.096486	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+CH3OH+H"	33.033486
"382167"	443.089158	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+K"	38.963158
"743162"	645.152158	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+K"	38.963158
"1550686"	241.026158	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K"	38.963158
"300207"	222.048217	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+H+K"	39.970434
"692137"	323.079717	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+H+K"	39.970434
"1447658"	121.016717	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+K"	39.970434
"242702"	446.159826	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+ACN+H"	42.033826
"1220879"	244.096826	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+ACN+H"	42.033826
"1202574"	122.552051	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+ACN+2H"	43.041102
"194351"	449.09716	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2Na-H"	44.97116
"631002"	651.16016	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2Na-H"	44.97116
"1136336"	247.03416	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2Na-H"	44.97116
"176709"	225.052218	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2Na"	45.978436
"616633"	326.083718	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2Na"	45.978436
"1124880"	124.020718	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2Na"	45.978436
"1406217"	83.0162373333333	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+2Na"	46.985712
"1439426"	249.075746	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+HCOOH"	47.012746
"226936"	230.08524	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+3H2O+2H"	56.04448
"1513905"	263.12779	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+IsoProp+H"	61.06479
"412496"	233.039188	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+Na+K"	61.952376
"776774"	334.070688	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+Na+K"	61.952376
"1676383"	132.007688	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na+K"	61.952376
"259623"	468.141768	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+ACN+Na"	64.015768
"1232332"	266.078768	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+ACN+Na"	64.015768
"1715752"	266.102293	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+NH4+HCOOH"	64.039293
"1186573"	90.3435513333333	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+3Na"	68.967654
"1654279"	271.057688	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na+HCOOH"	68.994688
"159317"	481.04504	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2K-H"	76.91904
"599606"	683.10804	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2K-H"	76.91904
"1087398"	278.98204	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2K-H"	76.91904
"148589"	241.026158	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"2M+2K"	77.926316
"589241"	342.057658	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"3M+2K"	77.926316
"1070839"	139.994658	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2K"	77.926316
"1104780"	280.996592	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2K+H"	78.933592
"1337033"	281.084207	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+DMSO+H"	79.021207
"1006900"	285.123376	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2ACN+H"	83.060376
"1524543"	286.117008	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+IsoProp+Na+H"	84.054008
"991479"	143.065326	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+2ACN+2H"	84.067652
"1588049"	287.031628	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K+HCOOH"	84.968628
"1414682"	317.063138	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+H+CF3COOH"	115.000138
"1147162"	163.578601	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+3ACN+2H"	125.094202
"1701933"	334.089685	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+NH4+CF3COOH"	132.026685
"1634178"	339.04508	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+Na+CF3COOH"	136.98208
"1577613"	355.01902	"C20856"	"2-Hydroxy-5-methyl-1-naphthoate"	"C12H10O3"	"202.063"	"M+K+CF3COOH"	152.95602
"804697"	218.0579	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M"	0
"976043"	199.03951	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-H2O-H"	-19.01839
"68659"	144.364657333333	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M-3H"	-3.021828
"517947"	217.050624	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M-3H"	-3.021828
"890402"	71.6786906666667	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-3H"	-3.021828
"14444"	217.050624	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M-2H"	-2.014552
"450725"	326.079574	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M-2H"	-2.014552
"827434"	108.021674	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-2H"	-2.014552
"81230"	435.108524	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M-H"	-1.007276
"530266"	653.166424	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M-H"	-1.007276
"902604"	217.050624	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-H"	-1.007276
"48956"	452.135071	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M-2H+NH4"	16.019271
"492167"	670.192971	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M-2H+NH4"	16.019271
"873248"	234.077171	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-2H+NH4"	16.019271
"37868"	457.090466	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M-2H+Na"	20.974666
"473057"	675.148366	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M-2H+Na"	20.974666
"857421"	239.032566	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-2H+Na"	20.974666
"1630238"	239.032566	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Na-2H"	20.974666
"102390"	235.038963	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M-H+Cl"	33.962126
"544138"	344.067913	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M-H+Cl"	33.962126
"936558"	126.010013	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-H+Cl"	33.962126
"281438"	471.085202	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+Cl"	34.969402
"670821"	689.143102	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+Cl"	34.969402
"1282129"	253.027302	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Cl"	34.969402
"25775"	473.064406	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M-2H+K"	36.948606
"467526"	691.122306	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M-2H+K"	36.948606
"842047"	255.006506	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-2H+K"	36.948606
"1564443"	255.006506	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+K-2H"	36.948606
"950138"	263.056094	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-H+HCOOH"	44.998194
"370538"	481.114001	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+HCOOH-H"	44.998201
"352600"	495.129651	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+Hac-H"	59.013851
"1507884"	277.071751	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Hac-H"	59.013851
"972626"	285.038051	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-H+NaCOOH"	66.980151
"116429"	253.027302	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+2Cl"	69.938804
"557084"	362.056252	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+2Cl"	69.938804
"1029166"	143.998352	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2Cl"	69.938804
"1248745"	296.976785	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Br"	78.918885
"1310097"	299.032772	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Cl+HCOOH"	80.974872
"1325408"	321.014729	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Cl+NaCOOH"	102.956829
"925217"	331.043486	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M-H+CF3COOH"	112.985586
"1299740"	367.020164	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Cl+CF3COOH"	148.962264
"1381790"	183.045224	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H-2H2O"	-35.012676
"1395397"	201.0552	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H-H2O"	-17.0027
"291802"	437.123076	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+H"	1.007276
"683132"	655.180976	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+H"	1.007276
"1357294"	219.065176	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H"	1.007276
"129090"	219.065176	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+2H"	2.014552
"567190"	328.094126	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+2H"	2.014552
"1038175"	110.036226	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2H"	2.014552
"209726"	146.379209333333	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+3H"	3.021828
"655853"	219.065176	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+3H"	3.021828
"1172887"	73.6932426666667	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+3H"	3.021828
"432876"	454.149623	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+NH4"	18.033823
"797152"	672.207523	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+NH4"	18.033823
"1691296"	236.091723	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+NH4"	18.033823
"333377"	227.5784495	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+H+NH4"	19.041099
"729078"	336.6073995	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+H+NH4"	19.041099
"1479009"	118.5494995	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H+NH4"	19.041099
"397570"	459.105018	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+Na"	22.989218
"756376"	677.162918	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+Na"	22.989218
"1605931"	241.047118	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Na"	22.989218
"318160"	230.056147	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+H+Na"	23.996494
"711678"	339.085097	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+H+Na"	23.996494
"1467685"	121.027197	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H+Na"	23.996494
"1056551"	81.0205566666667	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2H+Na"	25.00377
"1261148"	251.091386	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+CH3OH+H"	33.033486
"378993"	475.078958	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+K"	38.963158
"739989"	693.136858	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+K"	38.963158
"1547515"	257.021058	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+K"	38.963158
"301410"	238.043117	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+H+K"	39.970434
"692369"	347.072067	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+H+K"	39.970434
"1447647"	129.014167	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H+K"	39.970434
"238438"	478.149626	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+ACN+H"	42.033826
"1214427"	260.091726	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+ACN+H"	42.033826
"1197217"	130.549501	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+ACN+2H"	43.041102
"190573"	481.08696	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+2Na-H"	44.97116
"631841"	699.14486	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+2Na-H"	44.97116
"1136810"	263.02906	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2Na-H"	44.97116
"173777"	241.047118	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+2Na"	45.978436
"616013"	350.076068	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+2Na"	45.978436
"1123896"	132.018168	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2Na"	45.978436
"1408513"	88.3478706666667	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H+2Na"	46.985712
"1438443"	265.070646	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H+HCOOH"	47.012746
"229232"	246.08014	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+3H2O+2H"	56.04448
"1514015"	279.12269	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+IsoProp+H"	61.06479
"410782"	249.034088	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+Na+K"	61.952376
"776884"	358.063038	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+Na+K"	61.952376
"1673213"	140.005138	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Na+K"	61.952376
"259733"	500.131568	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+ACN+Na"	64.015768
"1229890"	282.073668	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+ACN+Na"	64.015768
"1715133"	282.097193	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+NH4+HCOOH"	64.039293
"1184496"	95.6751846666667	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+3Na"	68.967654
"1652202"	287.052588	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Na+HCOOH"	68.994688
"159790"	513.03484	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+2K-H"	76.91904
"600080"	731.09274	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+2K-H"	76.91904
"1088601"	294.97694	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2K-H"	76.91904
"149792"	257.021058	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"2M+2K"	77.926316
"590446"	366.050008	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"3M+2K"	77.926316
"1071676"	147.992108	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2K"	77.926316
"1102704"	296.991492	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2K+H"	78.933592
"1336899"	297.079107	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+DMSO+H"	79.021207
"1006401"	301.118276	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2ACN+H"	83.060376
"1525870"	302.111908	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+IsoProp+Na+H"	84.054008
"991468"	151.062776	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+2ACN+2H"	84.067652
"1587791"	303.026528	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+K+HCOOH"	84.968628
"1414467"	333.058038	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+H+CF3COOH"	115.000138
"1147263"	171.576051	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+3ACN+2H"	125.094202
"1702043"	350.084585	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+NH4+CF3COOH"	132.026685
"1634409"	355.03998	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+Na+CF3COOH"	136.98208
"1578816"	371.01392	"C20857"	"27-Dihydroxy-5-methyl-1-naphthoate"	"C12H10O4"	"218.0579"	"M+K+CF3COOH"	152.95602
"808091"	342.1162	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M"	0
"988185"	323.09781	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"76427"	227.070190666667	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"512707"	341.108924	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"892697"	113.031457333333	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"10179"	341.108924	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"447554"	512.167024	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"828641"	170.050824	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"82435"	683.225124	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"519808"	1025.341324	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"905995"	341.108924	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"54902"	700.251671	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"495559"	1042.367871	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"875552"	358.135471	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"42360"	705.207066	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"480827"	1047.323266	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"858630"	363.090866	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1628162"	363.090866	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"104689"	359.097263	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"544253"	530.155363	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"940561"	188.039163	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"281063"	719.201802	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"672025"	1061.318002	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1278958"	377.085602	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"23702"	721.181006	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"464355"	1063.297206	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"838878"	379.064806	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1565649"	379.064806	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"949155"	387.114394	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"364092"	729.230601	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"357821"	743.246251	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1506291"	401.130051	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"973469"	409.096351	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"118732"	377.085602	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"564126"	548.143702	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1036085"	206.027502	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1249949"	421.035085	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1315317"	423.091072	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1334395"	445.073029	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"924964"	455.101786	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1296568"	491.078464	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1375824"	307.103524	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1384210"	325.1135	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"285715"	685.239676	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"678141"	1027.355876	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1351935"	343.123476	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"125721"	343.123476	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"578610"	514.181576	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1048141"	172.065376	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"212029"	229.084742666667	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"655964"	343.123476	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1174088"	115.046009333333	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"431894"	702.266223	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"795079"	1044.382423	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1685210"	360.150023	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"332758"	351.6367495	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"726271"	522.6948495	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1482283"	180.5786495	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"395493"	707.221618	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"764513"	1049.337818	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1612611"	365.105418	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"317181"	354.114447	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"713976"	525.172547	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1469985"	183.056347	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1062136"	122.373323333333	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1259438"	375.149686	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"384581"	723.195558	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"746668"	1065.311758	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1547626"	381.079358	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"302614"	362.101417	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"694304"	533.159517	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1453226"	191.043317	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"236072"	726.266226	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1210528"	384.150026	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1207546"	192.578651	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"198959"	729.20356	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"642893"	1071.31976	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1137650"	387.08736	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"176198"	365.105418	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"623782"	536.163518	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1122913"	194.047318	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1407531"	129.700637333333	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1440739"	389.128946	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"226060"	370.13844	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1516310"	403.18099	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"415994"	373.092388	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"771522"	544.150488	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1672229"	202.034288	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"257657"	748.248168	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1228543"	406.131968	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1720345"	406.155493	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1190073"	137.027951333333	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1653405"	411.110888	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"161359"	761.15144	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"603107"	1103.26764	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1095272"	419.03524	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"150995"	381.079358	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"589463"	552.137458	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1072888"	210.021258	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1103914"	421.049792	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1340298"	421.137407	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1007856"	425.176576	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1525494"	426.170208	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"991335"	213.091926	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1587902"	427.084828	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1414898"	457.116338	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1147097"	233.605201	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1699239"	474.142885	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1634318"	479.09828	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1581116"	495.07222	"C20861"	"Mannobiose;beta-14-Mannobiose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
"813671"	392.2927	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M"	0
"985017"	373.27431	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"76539"	260.521190666667	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"505528"	391.285424	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"882970"	129.756957333333	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"15039"	391.285424	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"454964"	587.431774	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"829484"	195.139074	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"87653"	783.578124	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"528308"	1175.870824	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"909392"	391.285424	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"57208"	800.604671	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"497864"	1192.897371	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"876759"	408.311971	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"43566"	805.560066	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"480939"	1197.852766	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"857647"	413.267366	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1623901"	413.267366	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"106991"	409.273763	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"546551"	605.420113	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"936785"	213.127413	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"278623"	819.554802	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"673596"	1211.847502	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1286365"	427.262102	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"27098"	821.534006	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"465200"	1213.826706	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"843367"	429.241306	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1567949"	429.241306	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"952551"	437.290894	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"372962"	829.583601	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"357938"	843.599251	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1504584"	451.306551	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"969941"	459.272851	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"121035"	427.262102	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"562781"	623.408452	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1026110"	231.115752	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1252979"	471.211585	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1316885"	473.267572	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1326727"	495.249529	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"918879"	505.278286	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1296684"	541.254964	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1377035"	357.280024	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1393436"	375.29	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"297984"	785.592676	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"683358"	1177.885376	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1359713"	393.299976	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"136976"	393.299976	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"575445"	589.446326	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1047521"	197.153626	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"214333"	262.535742666667	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"653893"	393.299976	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1175296"	131.771509333333	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"429822"	802.619223	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"796283"	1194.911923	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1692617"	410.326523	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"339802"	401.8132495	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"731127"	597.9595995	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1484949"	205.6668995	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"398166"	807.574618	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"760253"	1199.867318	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1607260"	415.281918	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"318392"	404.290947	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"709716"	600.437297	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1466817"	208.144597	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1055689"	139.098823333333	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1260648"	425.326186	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"379226"	823.548558	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"745685"	1215.841258	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1548830"	431.255858	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"301632"	412.277917	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"698433"	608.424267	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1456630"	216.131567	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"245232"	826.619226	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1221222"	434.326526	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1205106"	217.666901	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"201257"	829.55656	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"642520"	1221.84926	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1144325"	437.26386	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"184334"	415.281918	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"618429"	611.428268	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1128493"	219.135568	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1412016"	146.426137333333	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1437571"	439.305446	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"225078"	420.31494	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1513139"	453.35749	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"410273"	423.268888	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"772730"	619.415238	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1667965"	227.122538	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"253393"	848.601168	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1231568"	456.308468	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1714988"	456.331993	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1181436"	153.753451333333	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1649987"	461.287388	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"157827"	861.50444	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"598843"	1253.79714	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1084650"	469.21174	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"143463"	431.255858	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"586303"	627.402208	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1069235"	235.109508	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1104028"	471.226292	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1337133"	471.313907	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1013317"	475.353076	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1530347"	476.346708	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"991326"	238.180176	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1591298"	477.261328	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1416960"	507.292838	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1150529"	258.693451	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1698985"	524.319385	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1648496"	529.27478	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1577949"	545.24872	"C20865"	"3beta12alpha-Dihydroxy-5beta-cholanoate;3beta12alpha-Dihydroxy-5beta-cholanoic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"808313"	408.2876	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M"	0
"984033"	389.26921	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"68994"	271.184457333333	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"503491"	407.280324	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"880277"	135.088590666667	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"13325"	407.280324	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"452154"	611.424124	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"830322"	203.136524	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"86669"	815.567924	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"530604"	1223.855524	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"909502"	407.280324	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"60598"	832.594471	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"500161"	1240.882071	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"875775"	424.306871	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"42582"	837.549866	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"484573"	1245.837466	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"862495"	429.262266	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1629479"	429.262266	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"100541"	425.268663	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"545569"	629.412463	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"935803"	221.124863	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"275453"	851.544602	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"665687"	1259.832202	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1282465"	443.257002	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"25021"	853.523806	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"462393"	1261.811406	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"841290"	445.236206	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1569518"	445.236206	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"952297"	453.285794	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"374166"	861.573401	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"352580"	875.589051	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1506516"	467.301451	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"970416"	475.267751	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"124060"	443.257002	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"564712"	647.400802	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1026220"	239.113202	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1253089"	487.206485	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1315902"	489.262472	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1326837"	511.244429	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"918989"	521.273186	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1297887"	557.249864	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1377143"	373.274924	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1389173"	391.2849	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"295421"	817.582476	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"683468"	1225.870076	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1364196"	409.294876	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"138544"	409.294876	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"578469"	613.438676	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1049696"	205.151076	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"214442"	273.199009333333	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"654002"	409.294876	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1173219"	137.103142666667	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"429932"	834.609023	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"793113"	1242.896623	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1691633"	426.321423	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"338818"	417.8081495	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"732332"	621.9519495	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1483966"	213.6643495	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"397183"	839.564418	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"757083"	1247.852018	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1606278"	431.276818	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"316314"	420.285847	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"708735"	624.429647	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1465834"	216.142047	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1055801"	144.430456666667	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1260760"	441.321086	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"383709"	855.538358	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"742516"	1263.825958	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1543473"	447.250758	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"302106"	428.272817	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"698543"	632.416617	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1456740"	224.129017	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"248624"	858.609026	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1222427"	450.321426	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1205219"	225.664351	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"201368"	861.54636	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"642753"	1269.83396	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1146138"	453.25876	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"184445"	431.276818	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"622912"	635.420618	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1130552"	227.133018	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1408846"	151.757770666667	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1437681"	455.300346	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"226281"	436.30984	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1516529"	469.35239	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"415123"	439.263788	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"778305"	643.407588	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1676822"	235.119988	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"252165"	880.590968	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1230584"	472.303368	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1716192"	472.326893	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1182640"	159.085084666667	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1653625"	477.282288	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"158300"	893.49424	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"598950"	1301.78184	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1084925"	485.20664	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"141991"	447.250758	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"583129"	651.394558	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1069836"	243.106958	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1104139"	487.221192	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1339431"	487.308807	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1016343"	491.347976	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1530457"	492.341608	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"991800"	246.177626	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1591408"	493.256228	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1417070"	523.287738	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1150639"	266.690901	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1697635"	540.314285	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1645690"	545.26968	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1578059"	561.24362	"C20866"	"Alloavicholate;Alloavicholic acid;3alpha7alpha16alpha-Trihydroxy-5alpha-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"816446"	392.2927	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M"	0
"988397"	373.27431	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H2O-H"	-19.01839
"78502"	260.521190666667	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-3H"	-3.021828
"515230"	391.285424	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-3H"	-3.021828
"881367"	129.756957333333	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-3H"	-3.021828
"10514"	391.285424	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H"	-2.014552
"451172"	587.431774	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H"	-2.014552
"830068"	195.139074	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H"	-2.014552
"94039"	783.578124	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-H"	-1.007276
"533883"	1175.870824	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-H"	-1.007276
"910714"	391.285424	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H"	-1.007276
"60592"	800.604671	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+NH4"	16.019271
"499179"	1192.897371	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+NH4"	16.019271
"878442"	408.311971	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+NH4"	16.019271
"45981"	805.560066	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+Na"	20.974666
"485419"	1197.852766	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+Na"	20.974666
"860787"	413.267366	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+Na"	20.974666
"1632508"	413.267366	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na-2H"	20.974666
"106488"	409.273763	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-H+Cl"	33.962126
"547748"	605.420113	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-H+Cl"	33.962126
"941263"	213.127413	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+Cl"	33.962126
"281281"	819.554802	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Cl"	34.969402
"674428"	1211.847502	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Cl"	34.969402
"1284763"	427.262102	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl"	34.969402
"22946"	821.534006	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M-2H+K"	36.948606
"467974"	1213.826706	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M-2H+K"	36.948606
"841402"	429.241306	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-2H+K"	36.948606
"1564890"	429.241306	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K-2H"	36.948606
"949492"	437.290894	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+HCOOH"	44.998194
"369904"	829.583601	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+HCOOH-H"	44.998201
"355972"	843.599251	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Hac-H"	59.013851
"1503715"	451.306551	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Hac-H"	59.013851
"966881"	459.272851	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+NaCOOH"	66.980151
"122348"	427.262102	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Cl"	69.938804
"564826"	623.408452	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Cl"	69.938804
"1036420"	231.115752	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Cl"	69.938804
"1252470"	471.211585	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Br"	78.918885
"1318564"	473.267572	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+HCOOH"	80.974872
"1331323"	495.249529	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+NaCOOH"	102.956829
"925301"	505.278286	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M-H+CF3COOH"	112.985586
"1302743"	541.254964	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Cl+CF3COOH"	148.962264
"1377255"	357.280024	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H-2H2O"	-35.012676
"1391470"	375.29	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H-H2O"	-17.0027
"296625"	785.592676	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H"	1.007276
"687954"	1177.885376	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H"	1.007276
"1364304"	393.299976	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H"	1.007276
"136099"	393.299976	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2H"	2.014552
"578944"	589.446326	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2H"	2.014552
"1049568"	197.153626	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2H"	2.014552
"217105"	262.535742666667	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+3H"	3.021828
"656297"	393.299976	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+3H"	3.021828
"1175517"	131.771509333333	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3H"	3.021828
"430406"	802.619223	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+NH4"	18.033823
"792131"	1194.911923	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+NH4"	18.033823
"1692835"	410.326523	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4"	18.033823
"342209"	401.8132495	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+NH4"	19.041099
"734628"	597.9595995	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+NH4"	19.041099
"1490273"	205.6668995	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+NH4"	19.041099
"399480"	807.574618	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Na"	22.989218
"755494"	1199.867318	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Na"	22.989218
"1606388"	415.281918	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na"	22.989218
"321891"	404.290947	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+Na"	23.996494
"716499"	600.437297	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+Na"	23.996494
"1470320"	208.144597	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+Na"	23.996494
"1061378"	139.098823333333	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2H+Na"	25.00377
"1266339"	425.326186	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+CH3OH+H"	33.033486
"388195"	823.548558	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+K"	38.963158
"748095"	1215.841258	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+K"	38.963158
"1544677"	431.255858	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K"	38.963158
"301853"	412.277917	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+H+K"	39.970434
"703759"	608.424267	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+H+K"	39.970434
"1459287"	216.131567	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+K"	39.970434
"243268"	826.619226	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+ACN+H"	42.033826
"1219259"	434.326526	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+H"	42.033826
"1203143"	217.666901	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+2H"	43.041102
"199293"	829.55656	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Na-H"	44.97116
"639949"	1221.84926	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Na-H"	44.97116
"1144550"	437.26386	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Na-H"	44.97116
"185287"	415.281918	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2Na"	45.978436
"624118"	611.428268	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2Na"	45.978436
"1128715"	219.135568	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2Na"	45.978436
"1412608"	146.426137333333	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+2Na"	46.985712
"1443626"	439.305446	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+HCOOH"	47.012746
"225299"	420.31494	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+3H2O+2H"	56.04448
"1515549"	453.35749	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+H"	61.06479
"417423"	423.268888	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+Na+K"	61.952376
"775501"	619.415238	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+Na+K"	61.952376
"1678027"	227.122538	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+K"	61.952376
"257260"	848.601168	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+ACN+Na"	64.015768
"1228875"	456.308468	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+ACN+Na"	64.015768
"1715209"	456.331993	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4+HCOOH"	64.039293
"1181657"	153.753451333333	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3Na"	68.967654
"1651550"	461.287388	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+HCOOH"	68.994688
"157401"	861.50444	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2K-H"	76.91904
"597127"	1253.79714	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2K-H"	76.91904
"1091238"	469.21174	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K-H"	76.91904
"141741"	431.255858	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"2M+2K"	77.926316
"582395"	627.402208	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"3M+2K"	77.926316
"1075413"	235.109508	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K"	77.926316
"1100972"	471.226292	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2K+H"	78.933592
"1339544"	471.313907	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+DMSO+H"	79.021207
"1020709"	475.353076	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2ACN+H"	83.060376
"1538224"	476.346708	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+IsoProp+Na+H"	84.054008
"1002485"	238.180176	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+2ACN+2H"	84.067652
"1596990"	477.261328	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K+HCOOH"	84.968628
"1429091"	507.292838	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+H+CF3COOH"	115.000138
"1155125"	258.693451	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+3ACN+2H"	125.094202
"1703582"	524.319385	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+NH4+CF3COOH"	132.026685
"1643613"	529.27478	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+Na+CF3COOH"	136.98208
"1578169"	545.24872	"C20867"	"Avideoxycholate;Avideoxycholic acid;3alpha16alpha-Dihydroxy-5beta-cholan-24-oic acid"	"C24H40O4"	"392.2927"	"M+K+CF3COOH"	152.95602
"808534"	408.2876	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M"	0
"978786"	389.26921	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H2O-H"	-19.01839
"68125"	271.184457333333	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-3H"	-3.021828
"516071"	407.280324	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-3H"	-3.021828
"895214"	135.088590666667	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-3H"	-3.021828
"15652"	407.280324	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H"	-2.014552
"455424"	611.424124	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H"	-2.014552
"832013"	203.136524	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H"	-2.014552
"94109"	815.567924	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H"	-1.007276
"529736"	1223.855524	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H"	-1.007276
"906446"	407.280324	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H"	-1.007276
"53166"	832.594471	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+NH4"	16.019271
"493820"	1240.882071	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+NH4"	16.019271
"878187"	424.306871	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+NH4"	16.019271
"44994"	837.549866	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+Na"	20.974666
"485527"	1245.837466	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+Na"	20.974666
"861989"	429.262266	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+Na"	20.974666
"1626418"	429.262266	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na-2H"	20.974666
"104043"	425.268663	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-H+Cl"	33.962126
"547249"	629.412463	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-H+Cl"	33.962126
"941492"	221.124863	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+Cl"	33.962126
"279688"	851.544602	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Cl"	34.969402
"670285"	1259.832202	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Cl"	34.969402
"1284876"	443.257002	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl"	34.969402
"29254"	853.523806	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M-2H+K"	36.948606
"468815"	1261.811406	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M-2H+K"	36.948606
"842606"	445.236206	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-2H+K"	36.948606
"1559533"	445.236206	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K-2H"	36.948606
"955078"	453.285794	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+HCOOH"	44.998194
"371106"	861.573401	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+HCOOH-H"	44.998201
"353898"	875.589051	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Hac-H"	59.013851
"1503824"	467.301451	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Hac-H"	59.013851
"966992"	475.267751	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+NaCOOH"	66.980151
"120271"	443.257002	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Cl"	69.938804
"565181"	647.400802	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Cl"	69.938804
"1035923"	239.113202	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Cl"	69.938804
"1254773"	487.206485	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Br"	78.918885
"1317219"	489.262472	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+HCOOH"	80.974872
"1332530"	511.244429	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+NaCOOH"	102.956829
"925414"	521.273186	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M-H+CF3COOH"	112.985586
"1301394"	557.249864	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Cl+CF3COOH"	148.962264
"1381744"	373.274924	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-2H2O"	-35.012676
"1397053"	391.2849	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H-H2O"	-17.0027
"296374"	817.582476	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H"	1.007276
"688797"	1225.870076	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H"	1.007276
"1364416"	409.294876	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H"	1.007276
"137308"	409.294876	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2H"	2.014552
"578329"	613.438676	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2H"	2.014552
"1048950"	205.151076	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H"	2.014552
"217216"	273.199009333333	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H"	3.021828
"656409"	409.294876	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+3H"	3.021828
"1169431"	137.103142666667	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3H"	3.021828
"433433"	834.609023	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+NH4"	18.033823
"798805"	1242.896623	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+NH4"	18.033823
"1692950"	426.321423	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4"	18.033823
"340134"	417.8081495	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+NH4"	19.041099
"731460"	621.9519495	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+NH4"	19.041099
"1482003"	213.6643495	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+NH4"	19.041099
"396311"	839.564418	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na"	22.989218
"756212"	1247.852018	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na"	22.989218
"1607591"	431.276818	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na"	22.989218
"318720"	420.285847	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+Na"	23.996494
"712236"	624.429647	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+Na"	23.996494
"1469338"	216.142047	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+Na"	23.996494
"1062584"	144.430456666667	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2H+Na"	25.00377
"1267545"	441.321086	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+CH3OH+H"	33.033486
"387576"	855.538358	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+K"	38.963158
"746018"	1263.825958	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+K"	38.963158
"1545882"	447.250758	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K"	38.963158
"310353"	428.272817	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+H+K"	39.970434
"702046"	632.416617	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+H+K"	39.970434
"1453681"	224.129017	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+K"	39.970434
"241191"	858.609026	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+H"	42.033826
"1217180"	450.321426	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+H"	42.033826
"1203251"	225.664351	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+2H"	43.041102
"200863"	861.54636	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na-H"	44.97116
"641151"	1269.83396	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na-H"	44.97116
"1142471"	453.25876	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na-H"	44.97116
"185034"	431.276818	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2Na"	45.978436
"622771"	635.420618	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2Na"	45.978436
"1128461"	227.133018	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2Na"	45.978436
"1409071"	151.757770666667	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+2Na"	46.985712
"1443616"	455.300346	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+HCOOH"	47.012746
"235259"	436.30984	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+3H2O+2H"	56.04448
"1522710"	469.35239	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+H"	61.06479
"417535"	439.263788	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+Na+K"	61.952376
"773060"	643.407588	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+Na+K"	61.952376
"1675956"	235.119988	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+K"	61.952376
"256642"	880.590968	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+ACN+Na"	64.015768
"1228257"	472.303368	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+ACN+Na"	64.015768
"1715322"	472.326893	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+HCOOH"	64.039293
"1178729"	159.085084666667	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3Na"	68.967654
"1656038"	477.282288	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+HCOOH"	68.994688
"159983"	893.49424	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K-H"	76.91904
"603558"	1301.78184	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K-H"	76.91904
"1091355"	485.20664	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K-H"	76.91904
"142698"	447.250758	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"2M+2K"	77.926316
"581893"	651.394558	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"3M+2K"	77.926316
"1071149"	243.106958	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K"	77.926316
"1101322"	487.221192	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2K+H"	78.933592
"1342932"	487.308807	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+DMSO+H"	79.021207
"1013650"	491.347976	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+H"	83.060376
"1537245"	492.341608	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+IsoProp+Na+H"	84.054008
"999319"	246.177626	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+2ACN+2H"	84.067652
"1596011"	493.256228	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+HCOOH"	84.968628
"1429324"	523.287738	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+H+CF3COOH"	115.000138
"1160703"	266.690901	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+3ACN+2H"	125.094202
"1709161"	540.314285	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+NH4+CF3COOH"	132.026685
"1642626"	545.26968	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+Na+CF3COOH"	136.98208
"1578279"	561.24362	"C20868"	"Cygnocholate;Cygnocholic acid;3alpha7alpha15alpha-Trihydroxy-5beta-cholan-24-oic acid"	"C24H40O5"	"408.2876"	"M+K+CF3COOH"	152.95602
"808644"	1150.3356	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M"	0
"978896"	1131.31721	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-H2O-H"	-19.01839
"68233"	765.883124	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M-3H"	-3.021828
"516545"	1149.328324	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M-3H"	-3.021828
"894957"	382.437924	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-3H"	-3.021828
"15705"	1149.328324	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M-2H"	-2.014552
"455640"	1724.496124	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M-2H"	-2.014552
"832642"	574.160524	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-2H"	-2.014552
"94230"	2299.663924	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M-H"	-1.007276
"533616"	3449.999524	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M-H"	-1.007276
"907651"	1149.328324	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-H"	-1.007276
"60932"	2316.690471	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M-2H+NH4"	16.019271
"497212"	3467.026071	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M-2H+NH4"	16.019271
"877568"	1166.354871	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-2H+NH4"	16.019271
"45469"	2321.645866	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M-2H+Na"	20.974666
"485030"	3471.981466	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M-2H+Na"	20.974666
"862829"	1171.310266	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-2H+Na"	20.974666
"1629811"	1171.310266	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Na-2H"	20.974666
"106340"	1167.316663	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M-H+Cl"	33.962126
"546994"	1742.484463	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M-H+Cl"	33.962126
"939416"	592.148863	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-H+Cl"	33.962126
"281136"	2335.640602	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+Cl"	34.969402
"672581"	3485.976202	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+Cl"	34.969402
"1286809"	1185.305002	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Cl"	34.969402
"28635"	2337.619806	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M-2H+K"	36.948606
"466009"	3487.955406	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M-2H+K"	36.948606
"842716"	1187.284206	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-2H+K"	36.948606
"1559643"	1187.284206	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+K-2H"	36.948606
"956282"	1195.333794	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-H+HCOOH"	44.998194
"367938"	2345.669401	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+HCOOH-H"	44.998201
"354008"	2359.685051	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+Hac-H"	59.013851
"1502842"	1209.349451	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Hac-H"	59.013851
"970018"	1217.315751	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-H+NaCOOH"	66.980151
"124027"	1185.305002	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+2Cl"	69.938804
"565454"	1760.472802	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+2Cl"	69.938804
"1036275"	610.137202	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2Cl"	69.938804
"1255612"	1229.254485	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Br"	78.918885
"1319475"	1231.310472	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Cl+HCOOH"	80.974872
"1332640"	1253.292429	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Cl+NaCOOH"	102.956829
"923701"	1263.321186	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M-H+CF3COOH"	112.985586
"1300776"	1299.297864	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Cl+CF3COOH"	148.962264
"1381491"	1115.322924	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H-2H2O"	-35.012676
"1397529"	1133.3329	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H-H2O"	-17.0027
"295393"	2301.678476	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+H"	1.007276
"688179"	3452.014076	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+H"	1.007276
"1365255"	1151.342876	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H"	1.007276
"134138"	1151.342876	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+2H"	2.014552
"577346"	1726.510676	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+2H"	2.014552
"1046871"	576.175076	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2H"	2.014552
"216959"	767.897676	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+3H"	3.021828
"654332"	1151.342876	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+3H"	3.021828
"1169175"	384.452476	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+3H"	3.021828
"431356"	2318.705023	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+NH4"	18.033823
"794540"	3469.040623	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+NH4"	18.033823
"1691964"	1168.369423	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+NH4"	18.033823
"339150"	1159.8561495	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+H+NH4"	19.041099
"728289"	1735.0239495	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+H+NH4"	19.041099
"1480292"	584.6883495	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H+NH4"	19.041099
"395327"	2323.660418	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+Na"	22.989218
"756684"	3473.996018	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+Na"	22.989218
"1608794"	1173.324818	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Na"	22.989218
"317737"	1162.333847	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+H+Na"	23.996494
"714533"	1737.501647	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+H+Na"	23.996494
"1468355"	587.166047	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H+Na"	23.996494
"1061601"	391.77979	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2H+Na"	25.00377
"1268018"	1183.369086	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+CH3OH+H"	33.033486
"388049"	2339.634358	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+K"	38.963158
"748314"	3489.969958	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+K"	38.963158
"1545992"	1189.298758	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+K"	38.963158
"311557"	1170.320817	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+H+K"	39.970434
"706167"	1745.488617	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+H+K"	39.970434
"1455978"	595.153017	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H+K"	39.970434
"240208"	2342.705026	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+ACN+H"	42.033826
"1219478"	1192.369426	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+ACN+H"	42.033826
"1205550"	596.688351	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+ACN+2H"	43.041102
"203164"	2345.64236	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+2Na-H"	44.97116
"640169"	3495.97796	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+2Na-H"	44.97116
"1146233"	1195.30676	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2Na-H"	44.97116
"185872"	1173.324818	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+2Na"	45.978436
"625432"	1748.492618	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+2Na"	45.978436
"1129665"	598.157018	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2Na"	45.978436
"1412097"	399.107104	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H+2Na"	46.985712
"1443847"	1197.348346	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H+HCOOH"	47.012746
"235004"	1178.35784	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+3H2O+2H"	56.04448
"1520146"	1211.40039	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+IsoProp+H"	61.06479
"420925"	1181.311788	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+Na+K"	61.952376
"776450"	1756.479588	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+Na+K"	61.952376
"1673148"	606.143988	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Na+K"	61.952376
"256752"	2364.686968	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+ACN+Na"	64.015768
"1231283"	1214.351368	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+ACN+Na"	64.015768
"1714339"	1214.374893	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+NH4+HCOOH"	64.039293
"1180419"	406.434418	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+3Na"	68.967654
"1655419"	1219.330288	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Na+HCOOH"	68.994688
"157902"	2377.59024	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+2K-H"	76.91904
"600388"	3527.92584	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+2K-H"	76.91904
"1091466"	1227.25464	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2K-H"	76.91904
"142078"	1189.298758	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"2M+2K"	77.926316
"588935"	1764.466558	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"3M+2K"	77.926316
"1070168"	614.130958	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2K"	77.926316
"1100214"	1229.269192	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2K+H"	78.933592
"1343043"	1229.356807	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+DMSO+H"	79.021207
"1008294"	1233.395976	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2ACN+H"	83.060376
"1530792"	1234.389608	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+IsoProp+Na+H"	84.054008
"1000522"	617.201626	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+2ACN+2H"	84.067652
"1599401"	1235.304228	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+K+HCOOH"	84.968628
"1423966"	1265.335738	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+H+CF3COOH"	115.000138
"1155346"	637.714901	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+3ACN+2H"	125.094202
"1705991"	1282.362285	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+NH4+CF3COOH"	132.026685
"1642735"	1287.31768	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+Na+CF3COOH"	136.98208
"1578389"	1303.29162	"C20869"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate"	"C40H64N8O27P2"	"1150.3356"	"M+K+CF3COOH"	152.95602
"808754"	869.1291	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M"	0
"981192"	850.11071	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-H2O-H"	-19.01839
"69436"	578.412124	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M-3H"	-3.021828
"508999"	868.121824	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M-3H"	-3.021828
"884249"	288.702424	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-3H"	-3.021828
"9756"	868.121824	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M-2H"	-2.014552
"455315"	1302.686374	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M-2H"	-2.014552
"832643"	433.557274	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-2H"	-2.014552
"94133"	1737.250924	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M-H"	-1.007276
"534095"	2606.380024	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M-H"	-1.007276
"907761"	868.121824	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-H"	-1.007276
"56669"	1754.277471	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M-2H+NH4"	16.019271
"498416"	2623.406571	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M-2H+NH4"	16.019271
"879424"	885.148371	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-2H+NH4"	16.019271
"46310"	1759.232866	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M-2H+Na"	20.974666
"485868"	2628.361966	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M-2H+Na"	20.974666
"863666"	890.103766	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-2H+Na"	20.974666
"1631013"	890.103766	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Na-2H"	20.974666
"105356"	886.110163	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M-H+Cl"	33.962126
"547104"	1320.674713	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M-H+Cl"	33.962126
"940619"	451.545613	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-H+Cl"	33.962126
"281363"	1773.227602	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+Cl"	34.969402
"669411"	2642.356702	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+Cl"	34.969402
"1286919"	904.098502	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Cl"	34.969402
"29838"	1775.206806	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M-2H+K"	36.948606
"463932"	2644.335906	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M-2H+K"	36.948606
"839546"	906.077706	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-2H+K"	36.948606
"1559753"	906.077706	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+K-2H"	36.948606
"953103"	914.127294	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-H+HCOOH"	44.998194
"374608"	1783.256401	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+HCOOH-H"	44.998201
"351931"	1797.272051	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+Hac-H"	59.013851
"1505137"	928.142951	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Hac-H"	59.013851
"966117"	936.109251	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-H+NaCOOH"	66.980151
"123770"	904.098502	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+2Cl"	69.938804
"560050"	1338.663052	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+2Cl"	69.938804
"1037027"	469.533952	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2Cl"	69.938804
"1255718"	948.047985	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Br"	78.918885
"1319890"	950.103972	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Cl+HCOOH"	80.974872
"1334936"	972.085929	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Cl+NaCOOH"	102.956829
"926722"	982.114686	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M-H+CF3COOH"	112.985586
"1300516"	1018.091364	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Cl+CF3COOH"	148.962264
"1380866"	834.116424	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H-2H2O"	-35.012676
"1398120"	852.1264	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H-H2O"	-17.0027
"294773"	1739.265476	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+H"	1.007276
"688289"	2608.394576	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+H"	1.007276
"1364635"	870.136376	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H"	1.007276
"133155"	870.136376	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+2H"	2.014552
"575995"	1304.700926	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+2H"	2.014552
"1046981"	435.571826	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2H"	2.014552
"215977"	580.426676	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+3H"	3.021828
"653350"	870.136376	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+3H"	3.021828
"1170381"	290.716976	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+3H"	3.021828
"433653"	1756.292023	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+NH4"	18.033823
"796836"	2625.421123	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+NH4"	18.033823
"1689886"	887.162923	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+NH4"	18.033823
"341446"	878.6496495	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+H+NH4"	19.041099
"732773"	1313.2141995	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+H+NH4"	19.041099
"1483317"	444.0850995	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H+NH4"	19.041099
"396894"	1761.247418	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+Na"	22.989218
"757888"	2630.376518	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+Na"	22.989218
"1608904"	892.118318	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Na"	22.989218
"317848"	881.127347	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+H+Na"	23.996494
"712456"	1315.691897	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+H+Na"	23.996494
"1469558"	446.562797	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H+Na"	23.996494
"1063897"	298.04429	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2H+Na"	25.00377
"1265212"	902.162586	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+CH3OH+H"	33.033486
"385243"	1777.221358	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+K"	38.963158
"747331"	2646.350458	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+K"	38.963158
"1545009"	908.092258	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+K"	38.963158
"310208"	889.114317	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+H+K"	39.970434
"703358"	1323.678867	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+H+K"	39.970434
"1459005"	454.549767	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H+K"	39.970434
"246880"	1780.292026	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+ACN+H"	42.033826
"1222868"	911.162926	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+ACN+H"	42.033826
"1208697"	456.085101	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+ACN+2H"	43.041102
"203515"	1783.22936	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+2Na-H"	44.97116
"640278"	2652.35846	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+2Na-H"	44.97116
"1146967"	914.10026	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2Na-H"	44.97116
"187805"	892.118318	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+2Na"	45.978436
"628341"	1326.682868	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+2Na"	45.978436
"1131076"	457.553768	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2Na"	45.978436
"1413300"	305.371604	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H+2Na"	46.985712
"1442498"	916.141846	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H+HCOOH"	47.012746
"235691"	897.15134	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+3H2O+2H"	56.04448
"1520256"	930.19389	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+IsoProp+H"	61.06479
"417755"	900.105288	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+Na+K"	61.952376
"777290"	1334.669838	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+Na+K"	61.952376
"1672894"	465.540738	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Na+K"	61.952376
"256862"	1802.273968	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+ACN+Na"	64.015768
"1231757"	933.144868	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+ACN+Na"	64.015768
"1714444"	933.168393	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+NH4+HCOOH"	64.039293
"1180530"	312.698918	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+3Na"	68.967654
"1654801"	938.123788	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Na+HCOOH"	68.994688
"158012"	1815.17724	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+2K-H"	76.91904
"600498"	2684.30634	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+2K-H"	76.91904
"1091576"	946.04814	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2K-H"	76.91904
"144016"	908.092258	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"2M+2K"	77.926316
"585765"	1342.656808	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"3M+2K"	77.926316
"1069911"	473.527708	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2K"	77.926316
"1101663"	948.062692	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2K+H"	78.933592
"1339873"	948.150307	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+DMSO+H"	79.021207
"1010591"	952.189476	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2ACN+H"	83.060376
"1530902"	953.183108	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+IsoProp+Na+H"	84.054008
"998444"	476.598376	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+2ACN+2H"	84.067652
"1600604"	954.097728	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+K+HCOOH"	84.968628
"1425169"	984.129238	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+H+CF3COOH"	115.000138
"1155456"	497.111651	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+3ACN+2H"	125.094202
"1703914"	1001.155785	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+NH4+CF3COOH"	132.026685
"1642845"	1006.11118	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+Na+CF3COOH"	136.98208
"1578499"	1022.08512	"C20870"	"3-(Methylthio)propanoyl-CoA"	"C25H42N7O17P3S2"	"869.1291"	"M+K+CF3COOH"	152.95602
"812145"	238.063	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M"	0
"979116"	219.04461	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-H2O-H"	-19.01839
"68454"	157.701390666667	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M-3H"	-3.021828
"509109"	237.055724	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M-3H"	-3.021828
"883631"	78.3470573333333	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-3H"	-3.021828
"10959"	237.055724	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M-2H"	-2.014552
"450520"	356.087224	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M-2H"	-2.014552
"832745"	118.024224	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-2H"	-2.014552
"94187"	475.118724	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M-H"	-1.007276
"533346"	713.181724	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M-H"	-1.007276
"910057"	237.055724	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-H"	-1.007276
"61880"	492.145271	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M-2H+NH4"	16.019271
"495246"	730.208271	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M-2H+NH4"	16.019271
"877057"	254.082271	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-2H+NH4"	16.019271
"46381"	497.100666	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M-2H+Na"	20.974666
"486102"	735.163666	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M-2H+Na"	20.974666
"862684"	259.037666	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-2H+Na"	20.974666
"1631126"	259.037666	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Na-2H"	20.974666
"108749"	255.044063	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M-H+Cl"	33.962126
"547217"	374.075563	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M-H+Cl"	33.962126
"935263"	136.012563	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-H+Cl"	33.962126
"280380"	511.095402	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+Cl"	34.969402
"669521"	749.158402	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+Cl"	34.969402
"1287151"	273.032402	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Cl"	34.969402
"29948"	513.074606	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M-2H+K"	36.948606
"464042"	751.137606	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M-2H+K"	36.948606
"838563"	275.011606	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-2H+K"	36.948606
"1559863"	275.011606	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+K-2H"	36.948606
"949933"	283.061194	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-H+HCOOH"	44.998194
"372896"	521.124201	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+HCOOH-H"	44.998201
"352041"	535.139851	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+Hac-H"	59.013851
"1504519"	297.076851	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Hac-H"	59.013851
"967320"	305.043151	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-H+NaCOOH"	66.980151
"122788"	273.032402	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+2Cl"	69.938804
"557973"	392.063902	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+2Cl"	69.938804
"1035522"	154.000902	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2Cl"	69.938804
"1254005"	316.981885	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Br"	78.918885
"1319007"	319.037872	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Cl+HCOOH"	80.974872
"1332859"	341.019829	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Cl+NaCOOH"	102.956829
"925739"	351.048586	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M-H+CF3COOH"	112.985586
"1297346"	387.025264	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Cl+CF3COOH"	148.962264
"1380976"	203.050324	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H-2H2O"	-35.012676
"1391911"	221.0603	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H-H2O"	-17.0027
"293790"	477.133276	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+H"	1.007276
"688764"	715.196276	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+H"	1.007276
"1364745"	239.070276	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H"	1.007276
"133264"	239.070276	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+2H"	2.014552
"577198"	358.101776	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+2H"	2.014552
"1047091"	120.038776	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2H"	2.014552
"217909"	159.715942666667	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+3H"	3.021828
"654553"	239.070276	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+3H"	3.021828
"1169398"	80.3616093333333	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+3H"	3.021828
"432670"	494.159823	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+NH4"	18.033823
"796946"	732.222823	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+NH4"	18.033823
"1689996"	256.096823	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+NH4"	18.033823
"340464"	247.5835495	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+H+NH4"	19.041099
"733977"	366.6150495	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+H+NH4"	19.041099
"1483428"	128.5520495	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H+NH4"	19.041099
"397733"	499.115218	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+Na"	22.989218
"759822"	737.178218	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+Na"	22.989218
"1610107"	261.052218	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Na"	22.989218
"320145"	250.061247	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+H+Na"	23.996494
"711473"	369.092747	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+H+Na"	23.996494
"1467480"	131.029747	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H+Na"	23.996494
"1063278"	87.6889233333333	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2H+Na"	25.00377
"1264958"	271.096486	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+CH3OH+H"	33.033486
"387905"	515.089158	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+K"	38.963158
"745254"	753.152158	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+K"	38.963158
"1546212"	277.026158	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+K"	38.963158
"307766"	258.048217	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+H+K"	39.970434
"696906"	377.079717	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+H+K"	39.970434
"1455105"	139.016717	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H+K"	39.970434
"250757"	518.159826	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+ACN+H"	42.033826
"1223707"	280.096826	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+ACN+H"	42.033826
"1208930"	140.552051	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+ACN+2H"	43.041102
"203382"	521.09716	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+2Na-H"	44.97116
"642821"	759.16016	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+2Na-H"	44.97116
"1143895"	283.03416	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2Na-H"	44.97116
"187186"	261.052218	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+2Na"	45.978436
"626746"	380.083718	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+2Na"	45.978436
"1129887"	142.020718	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2Na"	45.978436
"1411588"	95.0162373333333	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H+2Na"	46.985712
"1442608"	285.075746	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H+HCOOH"	47.012746
"235564"	266.08524	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+3H2O+2H"	56.04448
"1520366"	299.12779	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+IsoProp+H"	61.06479
"418957"	269.039188	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+Na+K"	61.952376
"775575"	388.070688	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+Na+K"	61.952376
"1671911"	150.007688	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Na+K"	61.952376
"255879"	540.141768	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+ACN+Na"	64.015768
"1228588"	302.078768	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+ACN+Na"	64.015768
"1714919"	302.102293	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+NH4+HCOOH"	64.039293
"1179302"	102.343551333333	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+3Na"	68.967654
"1654911"	307.057688	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Na+HCOOH"	68.994688
"157515"	553.04504	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+2K-H"	76.91904
"603888"	791.10804	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+2K-H"	76.91904
"1091686"	314.98204	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2K-H"	76.91904
"144126"	277.026158	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"2M+2K"	77.926316
"585875"	396.057658	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"3M+2K"	77.926316
"1069533"	157.994658	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2K"	77.926316
"1102016"	316.996592	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2K+H"	78.933592
"1340347"	317.084207	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+DMSO+H"	79.021207
"1011794"	321.123376	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2ACN+H"	83.060376
"1528825"	322.117008	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+IsoProp+Na+H"	84.054008
"998554"	161.065326	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+2ACN+2H"	84.067652
"1597434"	323.031628	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+K+HCOOH"	84.968628
"1425279"	353.063138	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+H+CF3COOH"	115.000138
"1155566"	181.578601	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+3ACN+2H"	125.094202
"1701837"	370.089685	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+NH4+CF3COOH"	132.026685
"1639675"	375.04508	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+Na+CF3COOH"	136.98208
"1578609"	391.01902	"C20871"	"3-Hydroxyflavone"	"C15H10O3"	"238.063"	"M+K+CF3COOH"	152.95602
"808975"	252.0786	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M"	0
"988342"	233.06021	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-H2O-H"	-19.01839
"68565"	167.045124	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M-3H"	-3.021828
"517728"	251.071324	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M-3H"	-3.021828
"893585"	83.018924	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-3H"	-3.021828
"15088"	251.071324	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M-2H"	-2.014552
"454647"	377.110624	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M-2H"	-2.014552
"831960"	125.032024	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-2H"	-2.014552
"93292"	503.149924	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M-H"	-1.007276
"529087"	755.228524	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M-H"	-1.007276
"905793"	251.071324	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-H"	-1.007276
"57982"	520.176471	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M-2H+NH4"	16.019271
"492072"	772.255071	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M-2H+NH4"	16.019271
"874250"	268.097871	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-2H+NH4"	16.019271
"43972"	525.131866	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M-2H+Na"	20.974666
"482805"	777.210466	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M-2H+Na"	20.974666
"860608"	273.053266	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-2H+Na"	20.974666
"1630872"	273.053266	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Na-2H"	20.974666
"108738"	269.059663	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M-H+Cl"	33.962126
"547327"	395.098963	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M-H+Cl"	33.962126
"938653"	143.020363	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-H+Cl"	33.962126
"277208"	539.126602	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+Cl"	34.969402
"666351"	791.205202	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+Cl"	34.969402
"1285684"	287.048002	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Cl"	34.969402
"26779"	541.105806	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M-2H+K"	36.948606
"460872"	793.184406	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M-2H+K"	36.948606
"845965"	289.027206	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-2H+K"	36.948606
"1567629"	289.027206	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+K-2H"	36.948606
"955520"	297.076794	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-H+HCOOH"	44.998194
"373006"	549.155401	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+HCOOH-H"	44.998201
"352151"	563.171051	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+Hac-H"	59.013851
"1502075"	311.092451	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Hac-H"	59.013851
"970711"	319.058751	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-H+NaCOOH"	66.980151
"120711"	287.048002	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+2Cl"	69.938804
"563918"	413.087302	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+2Cl"	69.938804
"1035633"	161.008702	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2Cl"	69.938804
"1255940"	330.997485	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Br"	78.918885
"1318390"	333.053472	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Cl+HCOOH"	80.974872
"1332604"	355.035429	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Cl+NaCOOH"	102.956829
"921843"	365.064186	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M-H+CF3COOH"	112.985586
"1298550"	401.040864	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Cl+CF3COOH"	148.962264
"1379994"	217.065924	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H-2H2O"	-35.012676
"1393120"	235.0759	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H-H2O"	-17.0027
"294631"	505.164476	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+H"	1.007276
"689238"	757.243076	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+H"	1.007276
"1362671"	253.085876	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H"	1.007276
"133375"	253.085876	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+2H"	2.014552
"572936"	379.125176	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+2H"	2.014552
"1043193"	127.046576	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2H"	2.014552
"217291"	169.059676	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+3H"	3.021828
"653571"	253.085876	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+3H"	3.021828
"1169509"	85.033476	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+3H"	3.021828
"433874"	522.191023	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+NH4"	18.033823
"794873"	774.269623	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+NH4"	18.033823
"1690108"	270.112423	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+NH4"	18.033823
"335109"	261.5991495	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+H+NH4"	19.041099
"728622"	387.6384495	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+H+NH4"	19.041099
"1482444"	135.5598495	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H+NH4"	19.041099
"395657"	527.146418	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+Na"	22.989218
"757745"	779.225018	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+Na"	22.989218
"1608031"	275.067818	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Na"	22.989218
"320254"	264.076847	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+H+Na"	23.996494
"710488"	390.116147	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+H+Na"	23.996494
"1466496"	138.037547	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H+Na"	23.996494
"1059741"	92.36079	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2H+Na"	25.00377
"1264702"	285.112086	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+CH3OH+H"	33.033486
"387286"	543.120358	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+K"	38.963158
"744270"	795.198958	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+K"	38.963158
"1546322"	291.041758	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+K"	38.963158
"310793"	272.063817	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+H+K"	39.970434
"702125"	398.103117	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+H+K"	39.970434
"1459957"	146.024517	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H+K"	39.970434
"249287"	546.191026	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+ACN+H"	42.033826
"1223453"	294.112426	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+ACN+H"	42.033826
"1206609"	147.559851	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+ACN+2H"	43.041102
"203493"	549.12836	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+2Na-H"	44.97116
"641227"	801.20696	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+2Na-H"	44.97116
"1141818"	297.04976	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2Na-H"	44.97116
"185836"	275.067818	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+2Na"	45.978436
"624671"	401.107118	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+2Na"	45.978436
"1127809"	149.028518	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2Na"	45.978436
"1409147"	99.688104	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H+2Na"	46.985712
"1440536"	299.091346	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H+HCOOH"	47.012746
"229864"	280.10084	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+3H2O+2H"	56.04448
"1517196"	313.14339	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+IsoProp+H"	61.06479
"413965"	283.054788	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+Na+K"	61.952376
"774232"	409.094088	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+Na+K"	61.952376
"1674210"	157.015488	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Na+K"	61.952376
"254895"	568.172968	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+ACN+Na"	64.015768
"1226147"	316.094368	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+ACN+Na"	64.015768
"1715399"	316.117893	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+NH4+HCOOH"	64.039293
"1185494"	107.015418	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+3Na"	68.967654
"1655751"	321.073288	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Na+HCOOH"	68.994688
"164075"	581.07624	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+2K-H"	76.91904
"607284"	833.15484	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+2K-H"	76.91904
"1091796"	328.99764	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2K-H"	76.91904
"145329"	291.041758	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"2M+2K"	77.926316
"583068"	417.081058	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"3M+2K"	77.926316
"1069522"	165.002458	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2K"	77.926316
"1101884"	331.012192	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2K+H"	78.933592
"1336813"	331.099807	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+DMSO+H"	79.021207
"1010810"	335.138976	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2ACN+H"	83.060376
"1528938"	336.132608	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+IsoProp+Na+H"	84.054008
"995387"	168.073126	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+2ACN+2H"	84.067652
"1594264"	337.047228	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+K+HCOOH"	84.968628
"1419921"	367.078738	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+H+CF3COOH"	115.000138
"1149844"	188.586401	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+3ACN+2H"	125.094202
"1697207"	384.105285	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+NH4+CF3COOH"	132.026685
"1647442"	389.06068	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+Na+CF3COOH"	136.98208
"1578719"	405.03462	"C20872"	"3-Methoxyflavone"	"C16H12O3"	"252.0786"	"M+K+CF3COOH"	152.95602
"805803"	1165.3465	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M"	0
"988089"	1146.32811	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-H2O-H"	-19.01839
"68675"	775.890390666667	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M-3H"	-3.021828
"516869"	1164.339224	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M-3H"	-3.021828
"894306"	387.441557333333	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-3H"	-3.021828
"14109"	1164.339224	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M-2H"	-2.014552
"453791"	1747.012474	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M-2H"	-2.014552
"831464"	581.665974	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-2H"	-2.014552
"92917"	2329.685724	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M-H"	-1.007276
"531021"	3495.032224	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M-H"	-1.007276
"908822"	1164.339224	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-H"	-1.007276
"58093"	2346.712271	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M-2H+NH4"	16.019271
"492183"	3512.058771	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M-2H+NH4"	16.019271
"869985"	1181.365771	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-2H+NH4"	16.019271
"42263"	2351.667666	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M-2H+Na"	20.974666
"482917"	3517.014166	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M-2H+Na"	20.974666
"862542"	1186.321166	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-2H+Na"	20.974666
"1633540"	1186.321166	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Na-2H"	20.974666
"109460"	1182.327563	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M-H+Cl"	33.962126
"548531"	1765.000813	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M-H+Cl"	33.962126
"937670"	599.654313	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-H+Cl"	33.962126
"281576"	2365.662402	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+Cl"	34.969402
"672662"	3531.008902	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+Cl"	34.969402
"1286403"	1200.315902	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Cl"	34.969402
"27987"	2367.641606	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M-2H+K"	36.948606
"467545"	3532.988106	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M-2H+K"	36.948606
"844254"	1202.295106	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-2H+K"	36.948606
"1568472"	1202.295106	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+K-2H"	36.948606
"956357"	1210.344694	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-H+HCOOH"	44.998194
"375303"	2375.691201	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+HCOOH-H"	44.998201
"351166"	2389.706851	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+Hac-H"	59.013851
"1503277"	1224.360351	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Hac-H"	59.013851
"966447"	1232.326651	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-H+NaCOOH"	66.980151
"122646"	1200.315902	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+2Cl"	69.938804
"565447"	1782.989152	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+2Cl"	69.938804
"1035746"	617.642652	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2Cl"	69.938804
"1256053"	1244.265385	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Br"	78.918885
"1318139"	1246.321372	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Cl+HCOOH"	80.974872
"1333449"	1268.303329	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Cl+NaCOOH"	102.956829
"917578"	1278.332086	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M-H+CF3COOH"	112.985586
"1298660"	1314.308764	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Cl+CF3COOH"	148.962264
"1379010"	1130.333824	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H-2H2O"	-35.012676
"1389942"	1148.3438	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H-H2O"	-17.0027
"292918"	2331.700276	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+H"	1.007276
"686068"	3497.046776	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+H"	1.007276
"1364604"	1166.353776	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H"	1.007276
"135675"	1166.353776	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+2H"	2.014552
"573047"	1749.027026	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+2H"	2.014552
"1045128"	583.680526	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2H"	2.014552
"214123"	777.904942666667	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+3H"	3.021828
"656961"	1166.353776	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+3H"	3.021828
"1173996"	389.456109333333	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+3H"	3.021828
"430709"	2348.726823	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+NH4"	18.033823
"790610"	3514.073323	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+NH4"	18.033823
"1688036"	1183.380323	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+NH4"	18.033823
"334127"	1174.8670495	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+H+NH4"	19.041099
"728734"	1757.5402995	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+H+NH4"	19.041099
"1483647"	592.1937995	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H+NH4"	19.041099
"394673"	2353.682218	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+Na"	22.989218
"762230"	3519.028718	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+Na"	22.989218
"1610329"	1188.335718	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Na"	22.989218
"321460"	1177.344747	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+H+Na"	23.996494
"708414"	1760.017997	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+H+Na"	23.996494
"1468795"	594.671497	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H+Na"	23.996494
"1062406"	396.783423333333	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2H+Na"	25.00377
"1264809"	1198.379986	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+CH3OH+H"	33.033486
"387032"	2369.656158	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+K"	38.963158
"747662"	3535.002658	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+K"	38.963158
"1546432"	1204.309658	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+K"	38.963158
"310175"	1185.331717	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+H+K"	39.970434
"706124"	1768.004967	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+H+K"	39.970434
"1456785"	602.658467	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H+K"	39.970434
"245020"	2372.726826	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+ACN+H"	42.033826
"1224297"	1207.380326	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+ACN+H"	42.033826
"1209720"	604.193801	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+ACN+2H"	43.041102
"202997"	2375.66416	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+2Na-H"	44.97116
"643531"	3541.01066	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+2Na-H"	44.97116
"1144480"	1210.31766	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2Na-H"	44.97116
"185585"	1188.335718	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+2Na"	45.978436
"624412"	1771.008968	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+2Na"	45.978436
"1126828"	605.662468	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2Na"	45.978436
"1411812"	404.110737333333	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H+2Na"	46.985712
"1443564"	1212.359246	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H+HCOOH"	47.012746
"234716"	1193.36874	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+3H2O+2H"	56.04448
"1517673"	1226.41129	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+IsoProp+H"	61.06479
"417359"	1196.322688	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+Na+K"	61.952376
"776164"	1778.995938	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+Na+K"	61.952376
"1672133"	613.649438	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Na+K"	61.952376
"257195"	2394.708768	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+ACN+Na"	64.015768
"1235009"	1229.362268	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+ACN+Na"	64.015768
"1719887"	1229.385793	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+NH4+HCOOH"	64.039293
"1184876"	411.438051333333	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+3Na"	68.967654
"1659147"	1234.341188	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Na+HCOOH"	68.994688
"170749"	2407.61204	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+2K-H"	76.91904
"607394"	3572.95854	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+2K-H"	76.91904
"1091906"	1242.26554	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2K-H"	76.91904
"143129"	1204.309658	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"2M+2K"	77.926316
"582815"	1786.982908	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"3M+2K"	77.926316
"1069632"	621.636408	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2K"	77.926316
"1101751"	1244.280092	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2K+H"	78.933592
"1337652"	1244.367707	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+DMSO+H"	79.021207
"1007643"	1248.406876	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2ACN+H"	83.060376
"1524913"	1249.400508	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+IsoProp+Na+H"	84.054008
"994405"	624.707076	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+2ACN+2H"	84.067652
"1590000"	1250.315128	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+K+HCOOH"	84.968628
"1416752"	1280.346638	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+H+CF3COOH"	115.000138
"1148862"	645.220351	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+3ACN+2H"	125.094202
"1700967"	1297.373185	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+NH4+CF3COOH"	132.026685
"1644272"	1302.32858	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+Na+CF3COOH"	136.98208
"1578829"	1318.30252	"C20873"	"UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine"	"C40H65N9O27P2"	"1165.3465"	"M+K+CF3COOH"	152.95602
"809193"	1891.0555	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M"	0
"982726"	1872.03711	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-H2O-H"	-19.01839
"72065"	1259.69639066667	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M-3H"	-3.021828
"516002"	1890.048224	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M-3H"	-3.021828
"895576"	629.344557333333	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-3H"	-3.021828
"14201"	1890.048224	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M-2H"	-2.014552
"449757"	2835.575974	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M-2H"	-2.014552
"832504"	944.520474	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-2H"	-2.014552
"91925"	3781.103724	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M-H"	-1.007276
"529304"	5672.159224	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M-H"	-1.007276
"901639"	1890.048224	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-H"	-1.007276
"54920"	3798.130271	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M-2H+NH4"	16.019271
"494477"	5689.185771	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M-2H+NH4"	16.019271
"873372"	1907.074771	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-2H+NH4"	16.019271
"40183"	3803.085666	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M-2H+Na"	20.974666
"479744"	5694.141166	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M-2H+Na"	20.974666
"860829"	1912.030166	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-2H+Na"	20.974666
"1633282"	1912.030166	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Na-2H"	20.974666
"106894"	1908.036563	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M-H+Cl"	33.962126
"545360"	2853.564313	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M-H+Cl"	33.962126
"938872"	962.508813	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-H+Cl"	33.962126
"279616"	3817.080402	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+Cl"	34.969402
"672041"	5708.135902	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+Cl"	34.969402
"1280069"	1926.024902	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Cl"	34.969402
"28461"	3819.059606	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M-2H+K"	36.948606
"464373"	5710.115106	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M-2H+K"	36.948606
"843271"	1928.004106	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-2H+K"	36.948606
"1565664"	1928.004106	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+K-2H"	36.948606
"954642"	1936.053694	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-H+HCOOH"	44.998194
"375411"	3827.109201	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+HCOOH-H"	44.998201
"352369"	3841.124851	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+Hac-H"	59.013851
"1502293"	1950.069351	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Hac-H"	59.013851
"968744"	1958.035651	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-H+NaCOOH"	66.980151
"123851"	1926.024902	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+2Cl"	69.938804
"560496"	2871.552652	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+2Cl"	69.938804
"1030389"	980.497152	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2Cl"	69.938804
"1253247"	1969.974385	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Br"	78.918885
"1316790"	1972.030372	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Cl+HCOOH"	80.974872
"1329911"	1994.012329	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Cl+NaCOOH"	102.956829
"923155"	2004.041086	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M-H+CF3COOH"	112.985586
"1296582"	2040.017764	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Cl+CF3COOH"	148.962264
"1375837"	1856.042824	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H-2H2O"	-35.012676
"1385677"	1874.0528	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H-H2O"	-17.0027
"283417"	3783.118276	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+H"	1.007276
"687274"	5674.173776	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+H"	1.007276
"1364352"	1892.062776	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H"	1.007276
"130317"	1892.062776	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+2H"	2.014552
"574251"	2837.590526	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+2H"	2.014552
"1046332"	946.535026	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2H"	2.014552
"216785"	1261.71094266667	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+3H"	3.021828
"658164"	1892.062776	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+3H"	3.021828
"1175929"	631.359109333333	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+3H"	3.021828
"434100"	3800.144823	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+NH4"	18.033823
"795095"	5691.200323	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+NH4"	18.033823
"1690332"	1909.089323	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+NH4"	18.033823
"336424"	1900.5760495	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+H+NH4"	19.041099
"727751"	2846.1037995	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+H+NH4"	19.041099
"1483757"	955.0482995	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H+NH4"	19.041099
"396970"	3805.100218	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+Na"	22.989218
"764528"	5696.155718	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+Na"	22.989218
"1610441"	1914.044718	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Na"	22.989218
"323758"	1903.053747	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+H+Na"	23.996494
"716908"	2848.581497	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+H+Na"	23.996494
"1472914"	957.525997	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H+Na"	23.996494
"1065431"	638.686423333333	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2H+Na"	25.00377
"1266013"	1924.088986	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+CH3OH+H"	33.033486
"385683"	3821.074158	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+K"	38.963158
"749959"	5712.129658	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+K"	38.963158
"1545449"	1930.018658	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+K"	38.963158
"312837"	1911.040717	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+H+K"	39.970434
"704533"	2856.568467	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+H+K"	39.970434
"1459082"	965.512967	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H+K"	39.970434
"246588"	3824.144826	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+ACN+H"	42.033826
"1225056"	1933.089326	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+ACN+H"	42.033826
"1208409"	967.048301	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+ACN+2H"	43.041102
"202741"	3827.08216	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+2Na-H"	44.97116
"642422"	5718.13766	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+2Na-H"	44.97116
"1143860"	1936.02666	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2Na-H"	44.97116
"187156"	1914.044718	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+2Na"	45.978436
"625255"	2859.572468	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+2Na"	45.978436
"1126938"	968.516968	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2Na"	45.978436
"1410828"	646.013737333333	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H+2Na"	46.985712
"1445135"	1938.068246	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H+HCOOH"	47.012746
"234462"	1919.07774	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+3H2O+2H"	56.04448
"1517417"	1952.12029	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+IsoProp+H"	61.06479
"418197"	1922.031688	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+Na+K"	61.952376
"775181"	2867.559438	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+Na+K"	61.952376
"1676985"	976.503938	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Na+K"	61.952376
"258034"	3846.126768	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+ACN+Na"	64.015768
"1235848"	1955.071268	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+ACN+Na"	64.015768
"1723278"	1955.094793	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+NH4+HCOOH"	64.039293
"1185714"	653.341051333333	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+3Na"	68.967654
"1661808"	1960.050188	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Na+HCOOH"	68.994688
"170859"	3859.03004	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+2K-H"	76.91904
"607504"	5750.08554	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+2K-H"	76.91904
"1096025"	1967.97454	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2K-H"	76.91904
"146640"	1930.018658	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"2M+2K"	77.926316
"582922"	2875.546408	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"3M+2K"	77.926316
"1069501"	984.490908	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2K"	77.926316
"1100276"	1969.989092	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2K+H"	78.933592
"1337761"	1970.076707	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+DMSO+H"	79.021207
"1006779"	1974.115876	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2ACN+H"	83.060376
"1524251"	1975.109508	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+IsoProp+Na+H"	84.054008
"993420"	987.561576	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+2ACN+2H"	84.067652
"1590110"	1976.024128	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+K+HCOOH"	84.968628
"1416862"	2006.055638	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+H+CF3COOH"	115.000138
"1147386"	1008.074851	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+3ACN+2H"	125.094202
"1699984"	2023.082185	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+NH4+CF3COOH"	132.026685
"1643289"	2028.03758	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+Na+CF3COOH"	136.98208
"1578939"	2044.01152	"C20874"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol"	"C94H156N8O27P2"	"1891.0555"	"M+K+CF3COOH"	152.95602
"806023"	1876.0446	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M"	0
"981743"	1857.02621	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-H2O-H"	-19.01839
"75455"	1249.689124	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M-3H"	-3.021828
"512832"	1875.037324	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M-3H"	-3.021828
"890635"	624.340924	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-3H"	-3.021828
"11395"	1875.037324	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M-2H"	-2.014552
"447678"	2813.059624	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M-2H"	-2.014552
"827669"	937.015024	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-2H"	-2.014552
"86568"	3751.081924	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M-H"	-1.007276
"529414"	5627.126524	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M-H"	-1.007276
"902844"	1875.037324	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-H"	-1.007276
"53940"	3768.108471	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M-2H+NH4"	16.019271
"492399"	5644.153071	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M-2H+NH4"	16.019271
"874575"	1892.063871	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-2H+NH4"	16.019271
"39200"	3773.063866	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M-2H+Na"	20.974666
"480951"	5649.108466	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M-2H+Na"	20.974666
"860940"	1897.019266	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-2H+Na"	20.974666
"1631570"	1897.019266	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Na-2H"	20.974666
"105911"	1893.025663	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M-H+Cl"	33.962126
"545470"	2831.047963	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M-H+Cl"	33.962126
"941170"	955.003363	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-H+Cl"	33.962126
"279726"	3787.058602	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+Cl"	34.969402
"673612"	5663.103202	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+Cl"	34.969402
"1285648"	1911.014002	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Cl"	34.969402
"29300"	3789.037806	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M-2H+K"	36.948606
"467764"	5665.082406	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M-2H+K"	36.948606
"846298"	1912.993206	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-2H+K"	36.948606
"1565774"	1912.993206	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+K-2H"	36.948606
"954752"	1921.042794	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-H+HCOOH"	44.998194
"376844"	3797.087401	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+HCOOH-H"	44.998201
"350293"	3811.103051	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+Hac-H"	59.013851
"1507508"	1935.058451	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Hac-H"	59.013851
"972136"	1943.024751	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-H+NaCOOH"	66.980151
"122870"	1911.014002	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+2Cl"	69.938804
"562066"	2849.036302	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+2Cl"	69.938804
"1029406"	972.991702	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2Cl"	69.938804
"1253723"	1954.963485	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Br"	78.918885
"1315803"	1957.019472	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Cl+HCOOH"	80.974872
"1332208"	1979.001429	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Cl+NaCOOH"	102.956829
"923265"	1989.030186	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M-H+CF3COOH"	112.985586
"1299973"	2025.006864	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Cl+CF3COOH"	148.962264
"1375947"	1841.031924	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H-2H2O"	-35.012676
"1384694"	1859.0419	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H-H2O"	-17.0027
"283770"	3753.096476	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+H"	1.007276
"688113"	5629.141076	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+H"	1.007276
"1365192"	1877.051876	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H"	1.007276
"136625"	1877.051876	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+2H"	2.014552
"573270"	2815.074176	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+2H"	2.014552
"1049724"	939.029576	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2H"	2.014552
"217990"	1251.703676	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+3H"	3.021828
"653901"	1877.051876	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+3H"	3.021828
"1174951"	626.355476	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+3H"	3.021828
"436399"	3770.123023	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+NH4"	18.033823
"794113"	5646.167623	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+NH4"	18.033823
"1690442"	1894.078423	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+NH4"	18.033823
"336534"	1885.5651495	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+H+NH4"	19.041099
"731145"	2823.5874495	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+H+NH4"	19.041099
"1484964"	947.5428495	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H+NH4"	19.041099
"402550"	3775.078418	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+Na"	22.989218
"764639"	5651.123018	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+Na"	22.989218
"1613832"	1899.033818	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Na"	22.989218
"326785"	1888.042847	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+H+Na"	23.996494
"716290"	2826.065147	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+H+Na"	23.996494
"1471205"	950.020547	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H+Na"	23.996494
"1066634"	633.68279	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2H+Na"	25.00377
"1268312"	1909.078086	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+CH3OH+H"	33.033486
"384700"	3791.052358	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+K"	38.963158
"744601"	5667.096958	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+K"	38.963158
"1544466"	1915.007758	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+K"	38.963158
"312218"	1896.029817	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+H+K"	39.970434
"704277"	2834.052117	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+H+K"	39.970434
"1455548"	958.007517	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H+K"	39.970434
"249253"	3794.123026	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+ACN+H"	42.033826
"1224516"	1918.078426	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+ACN+H"	42.033826
"1209371"	959.542851	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+ACN+2H"	43.041102
"203456"	3797.06036	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+2Na-H"	44.97116
"641558"	5673.10496	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+2Na-H"	44.97116
"1143970"	1921.01576	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2Na-H"	44.97116
"187264"	1899.033818	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+2Na"	45.978436
"625365"	2837.056118	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+2Na"	45.978436
"1128870"	961.011518	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2Na"	45.978436
"1412029"	641.010104	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H+2Na"	46.985712
"1444880"	1923.057346	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H+HCOOH"	47.012746
"233845"	1904.06684	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+3H2O+2H"	56.04448
"1517527"	1937.10939	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+IsoProp+H"	61.06479
"419400"	1907.020788	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+Na+K"	61.952376
"774562"	2845.043088	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+Na+K"	61.952376
"1675635"	968.998488	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Na+K"	61.952376
"259970"	3816.104968	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+ACN+Na"	64.015768
"1233770"	1940.060368	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+ACN+Na"	64.015768
"1722293"	1940.083893	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+NH4+HCOOH"	64.039293
"1185824"	648.337418	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+3Na"	68.967654
"1661918"	1945.039288	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Na+HCOOH"	68.994688
"170605"	3829.00824	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+2K-H"	76.91904
"607614"	5705.05284	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+2K-H"	76.91904
"1096500"	1952.96364	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2K-H"	76.91904
"146755"	1915.007758	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"2M+2K"	77.926316
"583036"	2853.030058	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"3M+2K"	77.926316
"1071194"	976.985458	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2K"	77.926316
"1101486"	1954.978192	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2K+H"	78.933592
"1341520"	1955.065807	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+DMSO+H"	79.021207
"1007253"	1959.104976	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2ACN+H"	83.060376
"1526352"	1960.098608	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+IsoProp+Na+H"	84.054008
"994625"	980.056126	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+2ACN+2H"	84.067652
"1588399"	1961.013228	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+K+HCOOH"	84.968628
"1415879"	1991.044738	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+H+CF3COOH"	115.000138
"1147120"	1000.569401	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+3ACN+2H"	125.094202
"1700094"	2008.071285	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+NH4+CF3COOH"	132.026685
"1643399"	2013.02668	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+Na+CF3COOH"	136.98208
"1579049"	2029.00062	"C20875"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;GlcNAc-(1-4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;GlcNAc-(1-4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol"	"C94H155N7O27P2"	"1876.0446"	"M+K+CF3COOH"	152.95602
"809418"	1194.3254	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M"	0
"988909"	1175.30701	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-H2O-H"	-19.01839
"72288"	795.209657333333	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M-3H"	-3.021828
"517199"	1193.318124	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M-3H"	-3.021828
"887468"	397.101190666667	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-3H"	-3.021828
"9324"	1193.318124	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M-2H"	-2.014552
"449983"	1790.480824	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M-2H"	-2.014552
"825602"	596.155424	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-2H"	-2.014552
"80117"	2387.643524	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M-H"	-1.007276
"520044"	3581.968924	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M-H"	-1.007276
"902949"	1193.318124	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-H"	-1.007276
"55136"	2404.670071	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M-2H+NH4"	16.019271
"494697"	3598.995471	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M-2H+NH4"	16.019271
"872501"	1210.344671	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-2H+NH4"	16.019271
"37487"	2409.625466	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M-2H+Na"	20.974666
"478868"	3603.950866	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M-2H+Na"	20.974666
"856676"	1215.300066	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-2H+Na"	20.974666
"1629490"	1215.300066	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Na-2H"	20.974666
"103834"	1211.306463	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M-H+Cl"	33.962126
"548258"	1808.469163	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M-H+Cl"	33.962126
"937642"	614.143763	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-H+Cl"	33.962126
"278386"	2423.620202	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+Cl"	34.969402
"671170"	3617.945602	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+Cl"	34.969402
"1282480"	1229.294802	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Cl"	34.969402
"26133"	2425.599406	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M-2H+K"	36.948606
"467878"	3619.924806	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M-2H+K"	36.948606
"833897"	1231.274006	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-2H+K"	36.948606
"1559329"	1231.274006	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+K-2H"	36.948606
"945025"	1239.323594	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-H+HCOOH"	44.998194
"365427"	2433.649001	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+HCOOH-H"	44.998201
"347122"	2447.664651	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+Hac-H"	59.013851
"1499237"	1253.339251	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Hac-H"	59.013851
"972248"	1261.305551	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-H+NaCOOH"	66.980151
"117876"	1229.294802	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+2Cl"	69.938804
"555978"	1826.457502	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+2Cl"	69.938804
"1029517"	632.132102	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2Cl"	69.938804
"1248001"	1273.244285	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Br"	78.918885
"1312636"	1275.300272	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Cl+HCOOH"	80.974872
"1332685"	1297.282229	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Cl+NaCOOH"	102.956829
"923376"	1307.310986	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M-H+CF3COOH"	112.985586
"1299724"	1343.287664	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Cl+CF3COOH"	148.962264
"1378248"	1159.312724	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H-2H2O"	-35.012676
"1387002"	1177.3227	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H-H2O"	-17.0027
"287782"	2389.658076	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+H"	1.007276
"689685"	3583.983476	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+H"	1.007276
"1360201"	1195.332676	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H"	1.007276
"136370"	1195.332676	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+2H"	2.014552
"572287"	1792.495376	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+2H"	2.014552
"1045460"	598.169976	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2H"	2.014552
"217373"	797.224209333333	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+3H"	3.021828
"649645"	1195.332676	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+3H"	3.021828
"1166676"	399.115742666667	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+3H"	3.021828
"432136"	2406.684623	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+NH4"	18.033823
"795318"	3601.010023	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+NH4"	18.033823
"1682899"	1212.359223	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+NH4"	18.033823
"336645"	1203.8459495	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+H+NH4"	19.041099
"732347"	1801.0086495	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+H+NH4"	19.041099
"1483980"	606.6832495	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H+NH4"	19.041099
"396099"	2411.640018	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+Na"	22.989218
"761467"	3605.965418	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+Na"	22.989218
"1608473"	1217.314618	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Na"	22.989218
"318506"	1206.323647	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+H+Na"	23.996494
"710931"	1803.486347	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+H+Na"	23.996494
"1469126"	609.160947	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H+Na"	23.996494
"1062372"	406.443056666667	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2H+Na"	25.00377
"1271706"	1227.358886	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+CH3OH+H"	33.033486
"383721"	2427.613958	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+K"	38.963158
"747998"	3621.939358	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+K"	38.963158
"1544585"	1233.288558	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+K"	38.963158
"307959"	1214.310617	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+H+K"	39.970434
"701838"	1811.473317	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+H+K"	39.970434
"1458939"	617.147917	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H+K"	39.970434
"248636"	2430.684626	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+ACN+H"	42.033826
"1218062"	1236.359226	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+ACN+H"	42.033826
"1205590"	618.683251	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+ACN+2H"	43.041102
"202351"	2433.62196	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+2Na-H"	44.97116
"642521"	3627.94736	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+2Na-H"	44.97116
"1142988"	1239.29656	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2Na-H"	44.97116
"184456"	1217.314618	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+2Na"	45.978436
"621829"	1814.477318	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+2Na"	45.978436
"1128252"	620.151918	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2Na"	45.978436
"1409590"	413.770370666667	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H+2Na"	46.985712
"1442438"	1241.338146	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H+HCOOH"	47.012746
"231403"	1222.34764	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+3H2O+2H"	56.04448
"1520192"	1255.39019	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+IsoProp+H"	61.06479
"419881"	1225.301588	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+Na+K"	61.952376
"781972"	1822.464288	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+Na+K"	61.952376
"1673562"	628.138888	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Na+K"	61.952376
"265190"	2452.666568	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+ACN+Na"	64.015768
"1237534"	1258.341168	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+ACN+Na"	64.015768
"1727761"	1258.364693	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+NH4+HCOOH"	64.039293
"1191049"	421.097684666667	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+3Na"	68.967654
"1656925"	1263.320088	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Na+HCOOH"	68.994688
"167066"	2465.56984	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+2K-H"	76.91904
"601159"	3659.89524	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+2K-H"	76.91904
"1086402"	1271.24444	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2K-H"	76.91904
"145768"	1233.288558	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"2M+2K"	77.926316
"585330"	1830.451258	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"3M+2K"	77.926316
"1069842"	636.125858	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2K"	77.926316
"1103055"	1273.258992	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2K+H"	78.933592
"1335913"	1273.346607	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+DMSO+H"	79.021207
"1006875"	1277.385776	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2ACN+H"	83.060376
"1525003"	1278.379408	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+IsoProp+Na+H"	84.054008
"990136"	639.196526	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+2ACN+2H"	84.067652
"1587534"	1279.294028	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+K+HCOOH"	84.968628
"1414897"	1309.325538	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+H+CF3COOH"	115.000138
"1156121"	659.709801	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+3ACN+2H"	125.094202
"1703486"	1326.352085	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+NH4+CF3COOH"	132.026685
"1641322"	1331.30748	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+Na+CF3COOH"	136.98208
"1579163"	1347.28142	"C20880"	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-lactate"	"C41H64N8O29P2"	"1194.3254"	"M+K+CF3COOH"	152.95602
"809528"	1920.0344	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M"	0
"979781"	1901.01601	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-H2O-H"	-19.01839
"72398"	1279.01565733333	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M-3H"	-3.021828
"516337"	1919.027124	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M-3H"	-3.021828
"887578"	639.004190666667	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-3H"	-3.021828
"9434"	1919.027124	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M-2H"	-2.014552
"453010"	2879.044324	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M-2H"	-2.014552
"828989"	959.009924	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-2H"	-2.014552
"85702"	3839.061524	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M-H"	-1.007276
"526351"	5759.095924	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M-H"	-1.007276
"905248"	1919.027124	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-H"	-1.007276
"55247"	3856.088071	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M-2H+NH4"	16.019271
"493716"	5776.122471	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M-2H+NH4"	16.019271
"868241"	1936.053671	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-2H+NH4"	16.019271
"39424"	3861.043466	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M-2H+Na"	20.974666
"482265"	5781.077866	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M-2H+Na"	20.974666
"854598"	1941.009066	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-2H+Na"	20.974666
"1629600"	1941.009066	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Na-2H"	20.974666
"107223"	1937.015463	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M-H+Cl"	33.962126
"545693"	2897.032663	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M-H+Cl"	33.962126
"938116"	976.998263	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-H+Cl"	33.962126
"273392"	3875.038202	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+Cl"	34.969402
"672374"	5795.072602	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+Cl"	34.969402
"1285870"	1955.003802	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Cl"	34.969402
"29157"	3877.017406	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M-2H+K"	36.948606
"467989"	5797.051806	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M-2H+K"	36.948606
"844696"	1956.983006	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-2H+K"	36.948606
"1565999"	1956.983006	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+K-2H"	36.948606
"950602"	1965.032594	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-H+HCOOH"	44.998194
"365537"	3885.067001	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+HCOOH-H"	44.998201
"351608"	3899.082651	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+Hac-H"	59.013851
"1506640"	1979.048251	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Hac-H"	59.013851
"972966"	1987.014551	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-H+NaCOOH"	66.980151
"120173"	1955.003802	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+2Cl"	69.938804
"558640"	2915.021002	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+2Cl"	69.938804
"1030721"	994.986602	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2Cl"	69.938804
"1249204"	1998.953285	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Br"	78.918885
"1313839"	2001.009272	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Cl+HCOOH"	80.974872
"1333523"	2022.991229	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Cl+NaCOOH"	102.956829
"923486"	2033.019986	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M-H+CF3COOH"	112.985586
"1301291"	2068.996664	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Cl+CF3COOH"	148.962264
"1378358"	1885.021724	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H-2H2O"	-35.012676
"1389299"	1903.0317	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H-H2O"	-17.0027
"287892"	3841.076076	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+H"	1.007276
"689795"	5761.110476	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+H"	1.007276
"1362863"	1921.041676	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H"	1.007276
"134658"	1921.041676	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+2H"	2.014552
"574584"	2881.058876	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+2H"	2.014552
"1049580"	961.024476	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2H"	2.014552
"216026"	1281.03020933333	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+3H"	3.021828
"649754"	1921.041676	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+3H"	3.021828
"1166786"	641.018742666667	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+3H"	3.021828
"434433"	3858.102623	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+NH4"	18.033823
"785949"	5778.137023	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+NH4"	18.033823
"1684104"	1938.068223	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+NH4"	18.033823
"336756"	1929.5549495	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+H+NH4"	19.041099
"730271"	2889.5721495	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+H+NH4"	19.041099
"1480813"	969.5377495	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H+NH4"	19.041099
"398397"	3863.058018	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+Na"	22.989218
"760486"	5783.092418	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+Na"	22.989218
"1606399"	1943.023618	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Na"	22.989218
"318618"	1932.032647	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+H+Na"	23.996494
"709948"	2892.049847	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+H+Na"	23.996494
"1468142"	972.015447	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H+Na"	23.996494
"1061390"	648.346056666667	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2H+Na"	25.00377
"1267442"	1953.067886	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+CH3OH+H"	33.033486
"381643"	3879.031958	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+K"	38.963158
"744827"	5799.066358	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+K"	38.963158
"1544695"	1958.997558	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+K"	38.963158
"307705"	1940.019617	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+H+K"	39.970434
"704500"	2900.036817	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+H+K"	39.970434
"1460508"	980.002417	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H+K"	39.970434
"248747"	3882.102626	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+ACN+H"	42.033826
"1220360"	1962.068226	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+ACN+H"	42.033826
"1207158"	981.537751	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+ACN+2H"	43.041102
"202948"	3885.03996	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+2Na-H"	44.97116
"642997"	5805.07436	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+2Na-H"	44.97116
"1142734"	1965.00556	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2Na-H"	44.97116
"186391"	1943.023618	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+2Na"	45.978436
"623762"	2903.040818	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+2Na"	45.978436
"1127269"	983.006418	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2Na"	45.978436
"1409699"	655.673370666667	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H+2Na"	46.985712
"1441453"	1967.047146	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H+HCOOH"	47.012746
"231514"	1948.05664	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+3H2O+2H"	56.04448
"1519574"	1981.09919	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+IsoProp+H"	61.06479
"419261"	1951.010588	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+Na+K"	61.952376
"782081"	2911.027788	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+Na+K"	61.952376
"1673672"	990.993388	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Na+K"	61.952376
"265664"	3904.084568	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+ACN+Na"	64.015768
"1238375"	1984.050168	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+ACN+Na"	64.015768
"1726899"	1984.073693	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+NH4+HCOOH"	64.039293
"1193227"	663.000684666667	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+3Na"	68.967654
"1657036"	1989.029088	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Na+HCOOH"	68.994688
"163897"	3916.98784	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+2K-H"	76.91904
"605645"	5837.02224	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+2K-H"	76.91904
"1087971"	1996.95344	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2K-H"	76.91904
"144786"	1958.997558	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"2M+2K"	77.926316
"587630"	2919.014758	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"3M+2K"	77.926316
"1072140"	998.980358	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2K"	77.926316
"1104258"	1998.967992	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2K+H"	78.933592
"1340644"	1999.055607	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+DMSO+H"	79.021207
"1006989"	2003.094776	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2ACN+H"	83.060376
"1533864"	2004.088408	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+IsoProp+Na+H"	84.054008
"993018"	1002.051026	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+2ACN+2H"	84.067652
"1588616"	2005.003028	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+K+HCOOH"	84.968628
"1414236"	2035.034538	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+H+CF3COOH"	115.000138
"1155138"	1022.564301	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+3ACN+2H"	125.094202
"1703596"	2052.061085	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+NH4+CF3COOH"	132.026685
"1641432"	2057.01648	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+Na+CF3COOH"	136.98208
"1579273"	2072.99042	"C20881"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-D-alanyl-D-Lactate"	"C95H155N7O29P2"	"1920.0344"	"M+K+CF3COOH"	152.95602
"809638"	1977.0559	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M"	0
"983171"	1958.03751	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-H2O-H"	-19.01839
"72508"	1317.02999066667	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M-3H"	-3.021828
"512073"	1976.048624	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M-3H"	-3.021828
"886595"	658.011357333333	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-3H"	-3.021828
"11734"	1976.048624	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M-2H"	-2.014552
"452027"	2964.576574	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M-2H"	-2.014552
"823632"	987.520674	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-2H"	-2.014552
"82532"	3953.104524	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M-H"	-1.007276
"524279"	5930.160424	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M-H"	-1.007276
"900985"	1976.048624	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-H"	-1.007276
"49166"	3970.131071	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M-2H+NH4"	16.019271
"496017"	5947.186971	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M-2H+NH4"	16.019271
"868351"	1993.075171	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-2H+NH4"	16.019271
"40628"	3975.086466	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M-2H+Na"	20.974666
"481282"	5952.142366	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M-2H+Na"	20.974666
"857991"	1998.030566	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-2H+Na"	20.974666
"1630804"	1998.030566	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Na-2H"	20.974666
"107333"	1994.036963	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M-H+Cl"	33.962126
"547263"	2982.564913	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M-H+Cl"	33.962126
"938226"	1005.509013	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-H+Cl"	33.962126
"277876"	3989.081202	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+Cl"	34.969402
"672484"	5966.137102	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+Cl"	34.969402
"1284524"	2012.025302	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Cl"	34.969402
"25261"	3991.060406	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M-2H+K"	36.948606
"469192"	5968.116306	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M-2H+K"	36.948606
"839339"	2014.004506	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-2H+K"	36.948606
"1558818"	2014.004506	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+K-2H"	36.948606
"948526"	2022.054094	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-H+HCOOH"	44.998194
"371118"	3999.110001	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+HCOOH-H"	44.998201
"358280"	4013.125651	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+Hac-H"	59.013851
"1504927"	2036.069751	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Hac-H"	59.013851
"964815"	2044.036051	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-H+NaCOOH"	66.980151
"121376"	2012.025302	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+2Cl"	69.938804
"558750"	3000.553252	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+2Cl"	69.938804
"1030831"	1023.497352	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2Cl"	69.938804
"1248221"	2055.974785	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Br"	78.918885
"1311763"	2058.030772	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Cl+HCOOH"	80.974872
"1332905"	2080.012729	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Cl+NaCOOH"	102.956829
"922503"	2090.041486	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M-H+CF3COOH"	112.985586
"1301401"	2126.018164	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Cl+CF3COOH"	148.962264
"1377375"	1942.043224	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H-2H2O"	-35.012676
"1390503"	1960.0532	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H-H2O"	-17.0027
"288003"	3955.119076	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+H"	1.007276
"689905"	5932.174976	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+H"	1.007276
"1360422"	1978.063176	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H"	1.007276
"132946"	1978.063176	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+2H"	2.014552
"577246"	2966.591126	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+2H"	2.014552
"1048961"	989.535226	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2H"	2.014552
"215043"	1319.04454266667	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+3H"	3.021828
"654239"	1978.063176	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+3H"	3.021828
"1169083"	660.025909333333	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+3H"	3.021828
"425796"	3972.145623	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+NH4"	18.033823
"786911"	5949.201523	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+NH4"	18.033823
"1683120"	1995.089723	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+NH4"	18.033823
"334678"	1986.5764495	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+H+NH4"	19.041099
"728196"	2975.1043995	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+H+NH4"	19.041099
"1480923"	998.0484995	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H+NH4"	19.041099
"397415"	3977.101018	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+Na"	22.989218
"760597"	5954.156918	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+Na"	22.989218
"1606509"	2000.045118	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Na"	22.989218
"317638"	1989.054147	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+H+Na"	23.996494
"715526"	2977.582097	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+H+Na"	23.996494
"1467161"	1000.526197	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H+Na"	23.996494
"1066240"	667.353223333333	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2H+Na"	25.00377
"1270468"	2010.089386	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+CH3OH+H"	33.033486
"383942"	3993.074958	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+K"	38.963158
"749313"	5970.130858	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+K"	38.963158
"1540430"	2016.019058	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+K"	38.963158
"303076"	1997.041117	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+H+K"	39.970434
"698778"	2985.569067	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+H+K"	39.970434
"1456972"	1008.513167	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H+K"	39.970434
"248858"	3996.145626	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+ACN+H"	42.033826
"1220471"	2019.089726	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+ACN+H"	42.033826
"1204355"	1010.048501	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+ACN+2H"	43.041102
"201599"	3999.08296	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+2Na-H"	44.97116
"642860"	5976.13886	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+2Na-H"	44.97116
"1143573"	2022.02706	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2Na-H"	44.97116
"185406"	2000.045118	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+2Na"	45.978436
"626424"	2988.573068	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+2Na"	45.978436
"1128471"	1011.517168	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2Na"	45.978436
"1410174"	674.680537333333	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H+2Na"	46.985712
"1440835"	2024.068646	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H+HCOOH"	47.012746
"231622"	2005.07814	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+3H2O+2H"	56.04448
"1515674"	2038.12069	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+IsoProp+H"	61.06479
"418642"	2008.032088	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+Na+K"	61.952376
"781826"	2996.560038	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+Na+K"	61.952376
"1671594"	1019.504138	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Na+K"	61.952376
"264680"	4018.127568	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+ACN+Na"	64.015768
"1239699"	2041.071668	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+ACN+Na"	64.015768
"1727986"	2041.095193	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+NH4+HCOOH"	64.039293
"1192852"	682.007851333333	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+3Na"	68.967654
"1659334"	2046.050588	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Na+HCOOH"	68.994688
"162915"	4031.03084	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+2K-H"	76.91904
"602476"	6008.08674	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+2K-H"	76.91904
"1088082"	2053.97494	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2K-H"	76.91904
"147084"	2016.019058	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"2M+2K"	77.926316
"586645"	3004.547008	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"3M+2K"	77.926316
"1069700"	1027.491108	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2K"	77.926316
"1103275"	2055.989492	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2K+H"	78.933592
"1341850"	2056.077107	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+DMSO+H"	79.021207
"1007827"	2060.116276	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2ACN+H"	83.060376
"1530696"	2061.109908	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+IsoProp+Na+H"	84.054008
"994952"	1030.561776	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+2ACN+2H"	84.067652
"1589456"	2062.024528	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+K+HCOOH"	84.968628
"1414629"	2092.056038	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+H+CF3COOH"	115.000138
"1156341"	1051.075051	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+3ACN+2H"	125.094202
"1706986"	2109.082585	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+NH4+CF3COOH"	132.026685
"1641542"	2114.03798	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+Na+CF3COOH"	136.98208
"1579383"	2130.01192	"C20882"	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate;Und-PP-MurNAc-(GlcNAc)-L-Ala-D-Glu-LL-dap-(Gly)-D-Ala-D-Lac;Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimeloyl-(glycyl)-D-alanyl-D-lactate"	"C97H158N8O30P2"	"1977.0559"	"M+K+CF3COOH"	152.95602
"809748"	1051.2672	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M"	0
"986564"	1032.24881	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H2O-H"	-19.01839
"76993"	699.837524	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-3H"	-3.021828
"516556"	1050.259924	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-3H"	-3.021828
"889986"	349.415124	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-3H"	-3.021828
"12938"	1050.259924	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H"	-2.014552
"448127"	1575.893524	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H"	-2.014552
"824833"	524.626324	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H"	-2.014552
"84826"	2101.527124	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-H"	-1.007276
"526570"	3152.794324	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-H"	-1.007276
"903280"	1050.259924	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H"	-1.007276
"48912"	2118.553671	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H+NH4"	16.019271
"493935"	3169.820871	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H+NH4"	16.019271
"866028"	1067.286471	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H+NH4"	16.019271
"35633"	2123.509066	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H+Na"	20.974666
"475193"	3174.776266	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H+Na"	20.974666
"855913"	1072.241866	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H+Na"	20.974666
"1633427"	1072.241866	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na-2H"	20.974666
"108904"	1068.248263	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-H+Cl"	33.962126
"542633"	1593.881863	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-H+Cl"	33.962126
"936147"	542.614663	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+Cl"	33.962126
"279445"	2137.503802	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Cl"	34.969402
"672961"	3188.771002	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+Cl"	34.969402
"1280624"	1086.236602	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl"	34.969402
"28653"	2139.483006	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M-2H+K"	36.948606
"468209"	3190.750206	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M-2H+K"	36.948606
"836536"	1088.215806	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-2H+K"	36.948606
"1566220"	1088.215806	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K-2H"	36.948606
"950823"	1096.265394	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+HCOOH"	44.998194
"373414"	2147.532601	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+HCOOH-H"	44.998201
"358390"	2161.548251	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Hac-H"	59.013851
"1505035"	1110.281051	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Hac-H"	59.013851
"964925"	1118.247351	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+NaCOOH"	66.980151
"118206"	1086.236602	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2Cl"	69.938804
"555580"	1611.870202	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2Cl"	69.938804
"1034221"	560.603002	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2Cl"	69.938804
"1245780"	1130.186085	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Br"	78.918885
"1314060"	1132.242072	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl+HCOOH"	80.974872
"1333743"	1154.224029	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl+NaCOOH"	102.956829
"925536"	1164.252786	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M-H+CF3COOH"	112.985586
"1302247"	1200.229464	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Cl+CF3COOH"	148.962264
"1379677"	1016.254524	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H-2H2O"	-35.012676
"1394623"	1034.2645	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H-H2O"	-17.0027
"285198"	2103.541676	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H"	1.007276
"684910"	3154.808876	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H"	1.007276
"1363083"	1052.274476	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H"	1.007276
"137064"	1052.274476	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2H"	2.014552
"572618"	1577.908076	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2H"	2.014552
"1047979"	526.640876	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2H"	2.014552
"214789"	701.852076	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+3H"	3.021828
"657265"	1052.274476	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+3H"	3.021828
"1167006"	351.429676	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+3H"	3.021828
"430280"	2120.568223	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+NH4"	18.033823
"792366"	3171.835423	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+NH4"	18.033823
"1685419"	1069.301023	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+NH4"	18.033823
"333697"	1060.7877495	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H+NH4"	19.041099
"729399"	1586.4213495	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H+NH4"	19.041099
"1481031"	535.1541495	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+NH4"	19.041099
"399707"	2125.523618	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Na"	22.989218
"760704"	3176.790818	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+Na"	22.989218
"1606615"	1074.256418	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na"	22.989218
"317748"	1063.265447	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H+Na"	23.996494
"716730"	1588.899047	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H+Na"	23.996494
"1468364"	537.631847	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+Na"	23.996494
"1067445"	358.75699	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2H+Na"	25.00377
"1265474"	1084.300686	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+CH3OH+H"	33.033486
"381863"	2141.497558	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+K"	38.963158
"740308"	3192.764758	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+K"	38.963158
"1543816"	1090.230358	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K"	38.963158
"302086"	1071.252417	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+H+K"	39.970434
"703991"	1596.886017	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+H+K"	39.970434
"1460243"	545.618817	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+K"	39.970434
"250063"	2144.568226	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+ACN+H"	42.033826
"1224228"	1093.301026	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+ACN+H"	42.033826
"1207380"	547.154151	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+ACN+2H"	43.041102
"202199"	2147.50556	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2Na-H"	44.97116
"635806"	3198.77276	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2Na-H"	44.97116
"1140405"	1096.23836	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2Na-H"	44.97116
"184790"	1074.256418	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2Na"	45.978436
"625442"	1599.890018	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2Na"	45.978436
"1128582"	548.622818	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2Na"	45.978436
"1412591"	366.084304	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+2Na"	46.985712
"1438027"	1098.279946	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+HCOOH"	47.012746
"232095"	1079.28944	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+3H2O+2H"	56.04448
"1513595"	1112.33199	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+IsoProp+H"	61.06479
"416564"	1082.243388	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+Na+K"	61.952376
"776466"	1607.876988	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+Na+K"	61.952376
"1679853"	556.609788	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na+K"	61.952376
"265520"	2166.550168	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+ACN+Na"	64.015768
"1239933"	1115.282968	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+ACN+Na"	64.015768
"1727118"	1115.306493	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+NH4+HCOOH"	64.039293
"1186274"	373.411618	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+3Na"	68.967654
"1658349"	1120.261888	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na+HCOOH"	68.994688
"165213"	2179.45344	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2K-H"	76.91904
"601493"	3230.72064	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2K-H"	76.91904
"1089288"	1128.18624	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2K-H"	76.91904
"147197"	1090.230358	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"2M+2K"	77.926316
"590035"	1615.863958	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"3M+2K"	77.926316
"1071997"	564.596758	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2K"	77.926316
"1105576"	1130.200792	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2K+H"	78.933592
"1345241"	1130.288407	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+DMSO+H"	79.021207
"1013771"	1134.327576	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2ACN+H"	83.060376
"1530802"	1135.321208	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+IsoProp+Na+H"	84.054008
"992879"	567.667426	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+2ACN+2H"	84.067652
"1591756"	1136.235828	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K+HCOOH"	84.968628
"1415227"	1166.267338	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+H+CF3COOH"	115.000138
"1149890"	588.180701	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+3ACN+2H"	125.094202
"1703814"	1183.293885	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+NH4+CF3COOH"	132.026685
"1636184"	1188.24928	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+Na+CF3COOH"	136.98208
"1579493"	1204.22322	"C20886"	"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-26-diaminoheptanedioate"	"C35H55N7O26P2"	"1051.2672"	"M+K+CF3COOH"	152.95602
"809858"	383.1428	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M"	0
"983392"	364.12441	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H2O-H"	-19.01839
"77998"	254.421257333333	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-3H"	-3.021828
"517031"	382.135524	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-3H"	-3.021828
"886815"	126.706990666667	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-3H"	-3.021828
"10860"	382.135524	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H"	-2.014552
"449331"	573.706924	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H"	-2.014552
"826038"	190.564124	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H"	-2.014552
"86029"	765.278324	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-H"	-1.007276
"524494"	1148.421124	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-H"	-1.007276
"901206"	382.135524	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H"	-1.007276
"51209"	782.304871	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+NH4"	16.019271
"495139"	1165.447671	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+NH4"	16.019271
"868573"	399.162071	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+NH4"	16.019271
"37566"	787.260266	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+Na"	20.974666
"476034"	1170.403066	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+Na"	20.974666
"857117"	404.117466	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+Na"	20.974666
"1633823"	404.117466	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na-2H"	20.974666
"108647"	400.123863	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-H+Cl"	33.962126
"546023"	591.695263	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-H+Cl"	33.962126
"939538"	208.552463	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+Cl"	33.962126
"279190"	801.255002	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Cl"	34.969402
"673797"	1184.397802	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Cl"	34.969402
"1284014"	418.112202	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl"	34.969402
"29487"	803.234206	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M-2H+K"	36.948606
"467955"	1186.377006	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M-2H+K"	36.948606
"839562"	420.091406	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-2H+K"	36.948606
"1566330"	420.091406	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K-2H"	36.948606
"950933"	428.140994	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+HCOOH"	44.998194
"372430"	811.283801	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+HCOOH-H"	44.998201
"358503"	825.299451	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Hac-H"	59.013851
"1505511"	442.156651	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Hac-H"	59.013851
"965400"	450.122951	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+NaCOOH"	66.980151
"119412"	418.112202	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Cl"	69.938804
"555690"	609.683602	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Cl"	69.938804
"1033238"	226.540802	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Cl"	69.938804
"1248442"	462.061685	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Br"	78.918885
"1314170"	464.117672	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+HCOOH"	80.974872
"1330573"	486.099629	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+NaCOOH"	102.956829
"921636"	496.128386	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M-H+CF3COOH"	112.985586
"1302355"	532.105064	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Cl+CF3COOH"	148.962264
"1380517"	348.130124	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H-2H2O"	-35.012676
"1394006"	366.1401	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H-H2O"	-17.0027
"291505"	767.292876	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H"	1.007276
"689395"	1150.435676	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H"	1.007276
"1360277"	384.150076	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H"	1.007276
"137539"	384.150076	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2H"	2.014552
"576008"	575.721476	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2H"	2.014552
"1050277"	192.578676	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2H"	2.014552
"218181"	256.435809333333	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+3H"	3.021828
"657011"	384.150076	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+3H"	3.021828
"1171492"	128.721542666667	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3H"	3.021828
"432577"	784.319423	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+NH4"	18.033823
"796851"	1167.462223	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+NH4"	18.033823
"1690996"	401.176623	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4"	18.033823
"337087"	392.6633495	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+NH4"	19.041099
"731696"	584.2347495	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+NH4"	19.041099
"1480048"	201.0919495	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+NH4"	19.041099
"405285"	789.274818	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Na"	22.989218
"758628"	1172.417618	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Na"	22.989218
"1607819"	406.132018	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na"	22.989218
"315671"	395.141047	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+Na"	23.996494
"716841"	586.712447	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+Na"	23.996494
"1469568"	203.569647	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+Na"	23.996494
"1068480"	136.048856666667	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2H+Na"	25.00377
"1262305"	416.176286	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+CH3OH+H"	33.033486
"383065"	805.248758	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+K"	38.963158
"740782"	1188.391558	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+K"	38.963158
"1546112"	422.105958	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K"	38.963158
"303293"	403.128017	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+H+K"	39.970434
"703008"	594.699417	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+H+K"	39.970434
"1458286"	211.556617	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+K"	39.970434
"250660"	808.319426	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+H"	42.033826
"1224339"	425.176626	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+H"	42.033826
"1209801"	213.091951	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+2H"	43.041102
"202553"	811.25676	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Na-H"	44.97116
"640287"	1194.39956	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Na-H"	44.97116
"1141607"	428.11396	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Na-H"	44.97116
"184900"	406.132018	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2Na"	45.978436
"625550"	597.703418	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2Na"	45.978436
"1128694"	214.560618	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2Na"	45.978436
"1411486"	143.376170666667	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+2Na"	46.985712
"1437045"	430.155546	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+HCOOH"	47.012746
"233298"	411.16504	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+3H2O+2H"	56.04448
"1514798"	444.20759	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+H"	61.06479
"419953"	414.118988	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+Na+K"	61.952376
"778762"	605.690388	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+Na+K"	61.952376
"1679476"	222.547588	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+K"	61.952376
"265266"	830.301368	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+ACN+Na"	64.015768
"1238707"	447.158568	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+ACN+Na"	64.015768
"1725771"	447.182093	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4+HCOOH"	64.039293
"1186384"	150.703484666667	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3Na"	68.967654
"1659552"	452.137488	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+HCOOH"	68.994688
"160221"	843.20464	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2K-H"	76.91904
"602696"	1226.34744	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2K-H"	76.91904
"1089398"	460.06184	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K-H"	76.91904
"147308"	422.105958	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"2M+2K"	77.926316
"583587"	613.677358	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"3M+2K"	77.926316
"1073567"	230.534558	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K"	77.926316
"1105686"	462.076392	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2K+H"	78.933592
"1345351"	462.164007	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+DMSO+H"	79.021207
"1013881"	466.203176	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+H"	83.060376
"1530915"	467.196808	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+IsoProp+Na+H"	84.054008
"997362"	233.605226	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+2ACN+2H"	84.067652
"1591865"	468.111428	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K+HCOOH"	84.968628
"1414970"	498.142938	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+H+CF3COOH"	115.000138
"1153280"	254.118501	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+3ACN+2H"	125.094202
"1703924"	515.169485	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+NH4+CF3COOH"	132.026685
"1636294"	520.12488	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+Na+CF3COOH"	136.98208
"1582883"	536.09882	"C20887"	"beta-D-Mannosyl-14-N-acetyl-D-glucosamine;4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine"	"C14H25NO11"	"383.1428"	"M+K+CF3COOH"	152.95602
"809968"	358.1111	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M"	0
"980221"	339.09271	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-H2O-H"	-19.01839
"78190"	237.733457333333	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M-3H"	-3.021828
"516776"	357.103824	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M-3H"	-3.021828
"886925"	118.363090666667	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-3H"	-3.021828
"13156"	357.103824	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M-2H"	-2.014552
"449439"	536.159374	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M-2H"	-2.014552
"829428"	178.048274	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-2H"	-2.014552
"86140"	715.214924	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M-H"	-1.007276
"530072"	1073.326024	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M-H"	-1.007276
"904596"	357.103824	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-H"	-1.007276
"55691"	732.241471	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M-2H+NH4"	16.019271
"496345"	1090.352571	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M-2H+NH4"	16.019271
"871963"	374.130371	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-2H+NH4"	16.019271
"36584"	737.196866	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M-2H+Na"	20.974666
"476144"	1095.307966	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M-2H+Na"	20.974666
"859413"	379.085766	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-2H+Na"	20.974666
"1633935"	379.085766	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Na-2H"	20.974666
"108393"	375.092163	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M-H+Cl"	33.962126
"546137"	554.147713	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M-H+Cl"	33.962126
"941107"	196.036613	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-H+Cl"	33.962126
"280030"	751.191602	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+Cl"	34.969402
"673544"	1109.302702	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+Cl"	34.969402
"1286311"	393.080502	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Cl"	34.969402
"27774"	753.170806	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M-2H+K"	36.948606
"468430"	1111.281906	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M-2H+K"	36.948606
"839672"	395.059706	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-2H+K"	36.948606
"1566440"	395.059706	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+K-2H"	36.948606
"951043"	403.109294	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-H+HCOOH"	44.998194
"367072"	761.220401	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+HCOOH-H"	44.998201
"359344"	775.236051	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+Hac-H"	59.013851
"1507323"	417.124951	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Hac-H"	59.013851
"969519"	425.091251	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-H+NaCOOH"	66.980151
"121706"	393.080502	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+2Cl"	69.938804
"557987"	572.136052	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+2Cl"	69.938804
"1032255"	214.024952	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2Cl"	69.938804
"1248552"	437.029985	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Br"	78.918885
"1315373"	439.085972	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Cl+HCOOH"	80.974872
"1330683"	461.067929	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Cl+NaCOOH"	102.956829
"923932"	471.096686	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M-H+CF3COOH"	112.985586
"1302829"	507.073364	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Cl+CF3COOH"	148.962264
"1380629"	323.098424	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H-2H2O"	-35.012676
"1395209"	341.1084	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H-H2O"	-17.0027
"291615"	717.229476	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+H"	1.007276
"689141"	1075.340576	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+H"	1.007276
"1363303"	359.118376	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H"	1.007276
"136921"	359.118376	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+2H"	2.014552
"575025"	538.173926	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+2H"	2.014552
"1050751"	180.062826	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2H"	2.014552
"217926"	239.748009333333	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+3H"	3.021828
"657485"	359.118376	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+3H"	3.021828
"1171602"	120.377642666667	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+3H"	3.021828
"431594"	734.256023	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+NH4"	18.033823
"796961"	1092.367123	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+NH4"	18.033823
"1685639"	376.144923	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+NH4"	18.033823
"333917"	367.6316495	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+H+NH4"	19.041099
"728525"	546.6871995	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+H+NH4"	19.041099
"1482344"	188.5760995	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H+NH4"	19.041099
"401022"	739.211418	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+Na"	22.989218
"762018"	1097.322518	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+Na"	22.989218
"1609022"	381.100318	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Na"	22.989218
"321248"	370.109347	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+H+Na"	23.996494
"719137"	549.164897	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+H+Na"	23.996494
"1472959"	191.053797	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H+Na"	23.996494
"1067626"	127.704956666667	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2H+Na"	25.00377
"1263508"	391.144586	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+CH3OH+H"	33.033486
"383175"	755.185358	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+K"	38.963158
"744172"	1113.296458	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+K"	38.963158
"1548411"	397.074258	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+K"	38.963158
"303405"	378.096317	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+H+K"	39.970434
"699107"	557.151867	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+H+K"	39.970434
"1454021"	199.040767	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H+K"	39.970434
"246998"	758.256026	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+ACN+H"	42.033826
"1225591"	400.144926	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+ACN+H"	42.033826
"1206868"	200.576101	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+ACN+2H"	43.041102
"203510"	761.19336	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+2Na-H"	44.97116
"641126"	1119.30446	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+2Na-H"	44.97116
"1141717"	403.08226	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2Na-H"	44.97116
"186832"	381.100318	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+2Na"	45.978436
"626753"	560.155868	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+2Na"	45.978436
"1129533"	202.044768	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2Na"	45.978436
"1411596"	135.032270666667	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H+2Na"	46.985712
"1441527"	405.123846	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H+HCOOH"	47.012746
"233408"	386.13334	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+3H2O+2H"	56.04448
"1514908"	419.17589	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+IsoProp+H"	61.06479
"418970"	389.087288	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+Na+K"	61.952376
"778872"	568.142838	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+Na+K"	61.952376
"1680679"	210.031738	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Na+K"	61.952376
"265745"	780.237968	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+ACN+Na"	64.015768
"1240964"	422.126868	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+ACN+Na"	64.015768
"1727582"	422.150393	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+NH4+HCOOH"	64.039293
"1187587"	142.359584666667	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+3Na"	68.967654
"1660755"	427.105788	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Na+HCOOH"	68.994688
"163247"	793.14124	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+2K-H"	76.91904
"603900"	1151.25234	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+2K-H"	76.91904
"1087321"	435.03014	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2K-H"	76.91904
"147418"	397.074258	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"2M+2K"	77.926316
"584061"	576.129808	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"3M+2K"	77.926316
"1072584"	218.018708	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2K"	77.926316
"1109076"	437.044692	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2K+H"	78.933592
"1347648"	437.132307	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+DMSO+H"	79.021207
"1013991"	441.171476	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2ACN+H"	83.060376
"1531025"	442.165108	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+IsoProp+Na+H"	84.054008
"997472"	221.089376	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+2ACN+2H"	84.067652
"1591975"	443.079728	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+K+HCOOH"	84.968628
"1415809"	473.111238	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+H+CF3COOH"	115.000138
"1153390"	241.602651	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+3ACN+2H"	125.094202
"1704034"	490.137785	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+NH4+CF3COOH"	132.026685
"1636768"	495.09318	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+Na+CF3COOH"	136.98208
"1582993"	511.06712	"C20888"	"Cellobionate;Cellobionic acid;4-O-beta-D-Glucopyranosyl-D-gluconate"	"C12H22O12"	"358.1111"	"M+K+CF3COOH"	152.95602
"810078"	192.027	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M"	0
"980331"	173.00861	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"76597"	127.010724	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"514699"	191.019724	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"887035"	63.001724	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"13266"	191.019724	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"450641"	287.033224	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"826255"	95.006224	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"86250"	383.046724	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"527995"	575.073724	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"904706"	191.019724	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"55800"	400.073271	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"494268"	592.100271	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"868793"	208.046271	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"39973"	405.028666	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"475160"	597.055666	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"859523"	213.001666	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1633761"	213.001666	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"107773"	209.008063	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"548433"	305.021563	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"936478"	112.994563	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"279776"	419.023402	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"670736"	611.050402	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1286421"	226.996402	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"22417"	421.002606	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"467447"	613.029606	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"841968"	228.975606	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1567643"	228.975606	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"952246"	237.025194	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"367182"	429.052201	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"359089"	443.067851	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1507311"	251.040851	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"968535"	259.007151	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"120723"	226.996402	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"558097"	323.009902	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1029083"	130.982902	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1249025"	270.945885	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1311109"	273.001872	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1332615"	294.983829	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"924771"	305.012586	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1301114"	340.989264	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1378909"	157.014324	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1397993"	175.0243	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"291726"	385.061276	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"689617"	577.088276	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1363413"	193.034276	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H"	1.007276
"139220"	193.034276	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"578051"	289.047776	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1051593"	97.020776	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"219129"	129.025276	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"654679"	193.034276	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1168432"	65.016276	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"429516"	402.087823	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"795979"	594.114823	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1685749"	210.060823	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"334027"	201.5475495	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"729728"	297.5610495	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1482454"	105.5340495	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"401132"	407.043218	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"761035"	599.070218	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1609133"	215.016218	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"318079"	204.025247	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"714875"	300.038747	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1470882"	108.011747	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1068099"	72.34359	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1262525"	225.060486	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"382192"	423.017158	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"742095"	615.044158	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1546335"	230.990158	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+K"	38.963158
"304608"	212.012217	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"698123"	308.025717	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1453038"	115.998717	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"246015"	426.087826	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1225163"	234.060826	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1204427"	117.534051	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"203739"	429.02516	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"639414"	621.05216	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1141828"	236.99816	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"186942"	215.016218	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"624677"	311.029718	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1129643"	119.002718	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1410613"	79.670904	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1441637"	239.039746	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"232425"	220.04924	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1515018"	253.09179	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"418716"	223.003188	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"778618"	319.016688	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1680419"	126.989688	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"265487"	448.069768	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1240381"	256.042768	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1726716"	256.066293	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1184416"	86.998218	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1657584"	261.021688	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"164449"	460.97304	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"601822"	653.00004	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1086702"	268.94604	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"147528"	230.990158	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"583317"	327.003658	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1072693"	134.976658	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1109186"	270.960592	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1348851"	271.048207	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1014101"	275.087376	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1531135"	276.081008	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"997582"	138.047326	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1590991"	276.995628	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1416283"	307.027138	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1156780"	158.560601	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1704144"	324.053685	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1636513"	329.00908	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1583103"	344.98302	"C20889"	"D-Galactaro-15-lactone"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"815295"	192.027	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M"	0
"985547"	173.00861	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"68687"	127.010724	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"512626"	191.019724	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"892618"	63.001724	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"9005"	191.019724	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"442004"	287.033224	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"826367"	95.006224	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"84172"	383.046724	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"522638"	575.073724	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"903721"	191.019724	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"53726"	400.073271	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"490001"	592.100271	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"867805"	208.046271	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"36802"	405.028666	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"474177"	597.055666	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"860726"	213.001666	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1633179"	213.001666	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"105700"	209.008063	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"537607"	305.021563	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"933309"	112.994563	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"278063"	419.023402	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"670849"	611.050402	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1279971"	226.996402	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"22526"	421.002606	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"463181"	613.029606	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"843174"	228.975606	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1563383"	228.975606	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"948711"	237.025194	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"366560"	429.052201	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"347895"	443.067851	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1497092"	251.040851	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"962081"	259.007151	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"115727"	226.996402	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"553830"	323.009902	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1024086"	130.982902	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1242207"	270.945885	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1313407"	273.001872	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1330904"	294.983829	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"926099"	305.012586	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1301225"	340.989264	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1379026"	157.014324	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1395064"	175.0243	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"291835"	385.061276	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"679881"	577.088276	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1360607"	193.034276	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H"	1.007276
"138964"	193.034276	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"576338"	289.047776	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1046230"	97.020776	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"215956"	129.025276	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"656972"	193.034276	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1171820"	65.016276	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"435088"	402.087823	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"792805"	594.114823	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1689137"	210.060823	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"339603"	201.5475495	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"734210"	297.5610495	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1480376"	105.5340495	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"399055"	407.043218	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"761145"	599.070218	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1608152"	215.016218	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"321467"	204.025247	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"711703"	300.038747	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1466618"	108.011747	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1057676"	72.34359	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1261542"	225.060486	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"378657"	423.017158	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"742204"	615.044158	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1546448"	230.990158	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+K"	38.963158
"304718"	212.012217	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"698233"	308.025717	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1452053"	115.998717	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"240655"	426.087826	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1216645"	234.060826	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1202715"	117.534051	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"201054"	429.02516	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"640617"	621.05216	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1143031"	236.99816	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"183770"	215.016218	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"620048"	311.029718	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1122459"	119.002718	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1405256"	79.670904	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1437372"	239.039746	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"233263"	220.04924	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1516950"	253.09179	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"413723"	223.003188	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"781645"	319.016688	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1675431"	126.989688	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"264503"	448.069768	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1234659"	256.042768	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1721360"	256.066293	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1184526"	86.998218	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1663163"	261.021688	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"162005"	460.97304	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"601204"	653.00004	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1087902"	268.94604	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"144353"	230.990158	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"588292"	327.003658	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1071346"	134.976658	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1102369"	270.960592	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1339120"	271.048207	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1009468"	275.087376	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1527960"	276.081008	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"995504"	138.047326	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1592194"	276.995628	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1426603"	307.027138	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1159078"	158.560601	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1698788"	324.053685	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1642095"	329.00908	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1579933"	344.98302	"C20890"	"D-Glucaro-15-lactone"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"810298"	85.0164	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M"	0
"988211"	65.99801	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-H2O-H"	-19.01839
"72078"	55.670324	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M-3H"	-3.021828
"511643"	84.009124	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M-3H"	-3.021828
"893701"	27.331524	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-3H"	-3.021828
"10210"	84.009124	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M-2H"	-2.014552
"444301"	126.517324	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M-2H"	-2.014552
"825385"	41.500924	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-2H"	-2.014552
"86470"	169.025524	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M-H"	-1.007276
"528218"	254.041924	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M-H"	-1.007276
"903833"	84.009124	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-H"	-1.007276
"53837"	186.052071	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M-2H+NH4"	16.019271
"490115"	271.068471	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M-2H+NH4"	16.019271
"865732"	101.035671	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-2H+NH4"	16.019271
"36914"	191.007466	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M-2H+Na"	20.974666
"480850"	276.023866	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M-2H+Na"	20.974666
"860473"	105.991066	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-2H+Na"	20.974666
"1630373"	105.991066	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Na-2H"	20.974666
"101435"	101.997463	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M-H+Cl"	33.962126
"537714"	144.505663	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M-H+Cl"	33.962126
"935605"	59.489263	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-H+Cl"	33.962126
"278540"	205.002202	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+Cl"	34.969402
"667680"	290.018602	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+Cl"	34.969402
"1282999"	119.985802	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Cl"	34.969402
"21910"	206.981406	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M-2H+K"	36.948606
"461471"	291.997806	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M-2H+K"	36.948606
"837449"	121.965006	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-2H+K"	36.948606
"1564583"	121.965006	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+K-2H"	36.948606
"952466"	130.014594	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-H+HCOOH"	44.998194
"369952"	215.031001	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+HCOOH-H"	44.998201
"354564"	229.046651	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+Hac-H"	59.013851
"1496108"	144.030251	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Hac-H"	59.013851
"958567"	151.996551	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-H+NaCOOH"	66.980151
"112191"	119.985802	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+2Cl"	69.938804
"550658"	162.494002	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+2Cl"	69.938804
"1022495"	77.477602	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2Cl"	69.938804
"1243048"	163.935285	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Br"	78.918885
"1311330"	165.991272	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Cl+HCOOH"	80.974872
"1328463"	187.973229	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Cl+NaCOOH"	102.956829
"920979"	198.001986	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M-H+CF3COOH"	112.985586
"1298788"	233.978664	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Cl+CF3COOH"	148.962264
"1379865"	50.003724	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H-2H2O"	-35.012676
"1396268"	68.0137	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H-H2O"	-17.0027
"288665"	171.040076	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+H"	1.007276
"682181"	256.056476	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+H"	1.007276
"1359624"	86.023676	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H"	1.007276
"138710"	86.023676	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+2H"	2.014552
"576450"	128.531876	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+2H"	2.014552
"1046342"	43.515476	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2H"	2.014552
"210965"	57.684876	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+3H"	3.021828
"648337"	86.023676	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+3H"	3.021828
"1164276"	29.346076	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+3H"	3.021828
"431918"	188.066623	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+NH4"	18.033823
"794008"	273.083023	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+NH4"	18.033823
"1682686"	103.050223	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+NH4"	18.033823
"338620"	94.5369495	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+H+NH4"	19.041099
"732133"	137.0451495	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+H+NH4"	19.041099
"1483767"	52.0287495	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H+NH4"	19.041099
"395886"	193.022018	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+Na"	22.989218
"755788"	278.038418	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+Na"	22.989218
"1608261"	108.005618	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Na"	22.989218
"317934"	97.014647	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+H+Na"	23.996494
"712909"	139.522847	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+H+Na"	23.996494
"1471103"	54.506447	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H+Na"	23.996494
"1063254"	36.67339	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2H+Na"	25.00377
"1266026"	118.049886	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+CH3OH+H"	33.033486
"378768"	208.995958	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+K"	38.963158
"744504"	294.012358	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+K"	38.963158
"1545465"	123.979558	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+K"	38.963158
"304829"	105.001617	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+H+K"	39.970434
"697249"	147.509817	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+H+K"	39.970434
"1451071"	62.493417	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H+K"	39.970434
"242954"	212.066626	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+ACN+H"	42.033826
"1216755"	127.050226	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+ACN+H"	42.033826
"1202825"	64.028751	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+ACN+2H"	43.041102
"202625"	215.00396	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+2Na-H"	44.97116
"639633"	300.02036	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+2Na-H"	44.97116
"1139860"	129.98756	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2Na-H"	44.97116
"184246"	108.005618	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+2Na"	45.978436
"622346"	150.513818	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+2Na"	45.978436
"1126947"	65.497418	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2Na"	45.978436
"1406461"	44.000704	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H+2Na"	46.985712
"1438576"	132.029146	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H+HCOOH"	47.012746
"230093"	113.03864	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+3H2O+2H"	56.04448
"1518883"	146.08119	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+IsoProp+H"	61.06479
"413833"	115.992588	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+Na+K"	61.952376
"779932"	158.500788	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+Na+K"	61.952376
"1677724"	73.484388	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Na+K"	61.952376
"257690"	234.048568	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+ACN+Na"	64.015768
"1229304"	149.032168	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+ACN+Na"	64.015768
"1723658"	149.055693	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+NH4+HCOOH"	64.039293
"1187918"	51.328018	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+3Na"	68.967654
"1654892"	154.011088	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Na+HCOOH"	68.994688
"158838"	246.95184	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+2K-H"	76.91904
"599854"	331.96824	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+2K-H"	76.91904
"1086917"	161.93544	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2K-H"	76.91904
"143738"	123.979558	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"2M+2K"	77.926316
"585122"	166.487758	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"3M+2K"	77.926316
"1071823"	81.471358	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2K"	77.926316
"1103937"	163.949992	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2K+H"	78.933592
"1342510"	164.037607	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+DMSO+H"	79.021207
"1011041"	168.076776	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2ACN+H"	83.060376
"1530257"	169.070408	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+IsoProp+Na+H"	84.054008
"994520"	84.542026	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+2ACN+2H"	84.067652
"1588172"	169.985028	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+K+HCOOH"	84.968628
"1416872"	200.016538	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+H+CF3COOH"	115.000138
"1153720"	105.055301	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+3ACN+2H"	125.094202
"1699989"	217.043085	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+NH4+CF3COOH"	132.026685
"1638924"	221.99848	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+Na+CF3COOH"	136.98208
"1583323"	237.97242	"C20891"	"Isoxazolin-5-one;5-Hydroxyisoxazole"	"C3H3NO2"	"85.0164"	"M+K+CF3COOH"	152.95602
"810408"	172.0484	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M"	0
"980661"	153.03001	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H2O-H"	-19.01839
"76560"	113.691657333333	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-3H"	-3.021828
"510659"	171.041124	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-3H"	-3.021828
"891742"	56.3421906666667	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-3H"	-3.021828
"11409"	171.041124	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H"	-2.014552
"448785"	257.065324	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H"	-2.014552
"827680"	85.016924	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H"	-2.014552
"89861"	343.089524	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-H"	-1.007276
"528327"	515.137924	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-H"	-1.007276
"903944"	171.041124	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H"	-1.007276
"51757"	360.116071	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H+NH4"	16.019271
"494599"	532.164471	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H+NH4"	16.019271
"869122"	188.067671	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H+NH4"	16.019271
"37024"	365.071466	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H+Na"	20.974666
"483146"	537.119866	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H+Na"	20.974666
"860946"	193.023066	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H+Na"	20.974666
"1629389"	193.023066	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na-2H"	20.974666
"102638"	189.029463	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-H+Cl"	33.962126
"538917"	275.053663	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-H+Cl"	33.962126
"934621"	103.005263	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+Cl"	33.962126
"277555"	379.066202	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Cl"	34.969402
"668883"	551.114602	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+Cl"	34.969402
"1282380"	207.017802	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl"	34.969402
"23113"	381.045406	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H+K"	36.948606
"463039"	553.093806	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H+K"	36.948606
"840475"	208.997006	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H+K"	36.948606
"1565057"	208.997006	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K-2H"	36.948606
"954399"	217.046594	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+HCOOH"	44.998194
"372978"	389.095001	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+HCOOH-H"	44.998201
"354674"	403.110651	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Hac-H"	59.013851
"1500593"	231.062251	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Hac-H"	59.013851
"962666"	239.028551	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+NaCOOH"	66.980151
"117771"	207.017802	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2Cl"	69.938804
"553685"	293.042002	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2Cl"	69.938804
"1022484"	120.993602	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2Cl"	69.938804
"1243158"	250.967285	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Br"	78.918885
"1308888"	253.023272	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl+HCOOH"	80.974872
"1330030"	275.005229	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl+NaCOOH"	102.956829
"920725"	285.033986	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+CF3COOH"	112.985586
"1297805"	321.010664	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl+CF3COOH"	148.962264
"1380339"	137.035724	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H-2H2O"	-35.012676
"1395283"	155.0457	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H-H2O"	-17.0027
"288776"	345.104076	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H"	1.007276
"683385"	517.152476	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H"	1.007276
"1359734"	173.055676	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H"	1.007276
"134810"	173.055676	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2H"	2.014552
"578747"	259.079876	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2H"	2.014552
"1044267"	87.031476	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2H"	2.014552
"207797"	115.706209333333	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+3H"	3.021828
"650635"	173.055676	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+3H"	3.021828
"1170945"	58.3567426666667	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+3H"	3.021828
"432030"	362.130623	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+NH4"	18.033823
"788287"	534.179023	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+NH4"	18.033823
"1683524"	190.082223	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+NH4"	18.033823
"330949"	181.5689495	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H+NH4"	19.041099
"731151"	267.5931495	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H+NH4"	19.041099
"1478410"	95.5447495	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+NH4"	19.041099
"399277"	367.086018	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Na"	22.989218
"761366"	539.134418	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+Na"	22.989218
"1608371"	195.037618	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na"	22.989218
"317680"	184.046647	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H+Na"	23.996494
"717392"	270.070847	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H+Na"	23.996494
"1472307"	98.022447	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+Na"	23.996494
"1063366"	65.6840566666667	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2H+Na"	25.00377
"1267230"	205.081886	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+CH3OH+H"	33.033486
"381430"	383.059958	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+K"	38.963158
"742428"	555.108358	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+K"	38.963158
"1543388"	211.011558	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K"	38.963158
"300928"	192.033617	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H+K"	39.970434
"696266"	278.057817	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H+K"	39.970434
"1450086"	106.009417	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+K"	39.970434
"240875"	386.130626	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+ACN+H"	42.033826
"1215772"	214.082226	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+ACN+H"	42.033826
"1199654"	107.544751	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+ACN+2H"	43.041102
"197995"	389.06796	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2Na-H"	44.97116
"639743"	561.11636	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2Na-H"	44.97116
"1141062"	217.01956	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2Na-H"	44.97116
"184354"	195.037618	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2Na"	45.978436
"623547"	281.061818	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2Na"	45.978436
"1127418"	109.013418	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2Na"	45.978436
"1406571"	73.0113706666667	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+2Na"	46.985712
"1439779"	219.061146	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+HCOOH"	47.012746
"229472"	200.07064	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+3H2O+2H"	56.04448
"1517534"	233.11319	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+IsoProp+H"	61.06479
"413943"	203.024588	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Na+K"	61.952376
"780042"	289.048788	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+Na+K"	61.952376
"1675647"	117.000388	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na+K"	61.952376
"259988"	408.112568	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+ACN+Na"	64.015768
"1232695"	236.064168	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+ACN+Na"	64.015768
"1727050"	236.087693	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+NH4+HCOOH"	64.039293
"1185842"	80.3386846666667	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+3Na"	68.967654
"1653909"	241.043088	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na+HCOOH"	68.994688
"160042"	421.01584	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2K-H"	76.91904
"599965"	593.06424	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2K-H"	76.91904
"1085815"	248.96744	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2K-H"	76.91904
"144212"	211.011558	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2K"	77.926316
"585232"	297.035758	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2K"	77.926316
"1074120"	124.987358	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2K"	77.926316
"1104047"	250.981992	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2K+H"	78.933592
"1341527"	251.069607	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+DMSO+H"	79.021207
"1015525"	255.108776	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2ACN+H"	83.060376
"1529274"	256.102408	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+IsoProp+Na+H"	84.054008
"995723"	128.058026	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2ACN+2H"	84.067652
"1588405"	257.017028	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K+HCOOH"	84.968628
"1416982"	287.048538	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+CF3COOH"	115.000138
"1153830"	148.571301	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+3ACN+2H"	125.094202
"1700099"	304.075085	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+NH4+CF3COOH"	132.026685
"1639034"	309.03048	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na+CF3COOH"	136.98208
"1580153"	325.00442	"C20892"	"3-(5-Oxoisoxazolin-2-yl)-L-alanine;beta-(Isoxazolin-5-on-2-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K+CF3COOH"	152.95602
"809425"	172.0484	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M"	0
"980771"	153.03001	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H2O-H"	-19.01839
"75576"	113.691657333333	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-3H"	-3.021828
"510769"	171.041124	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-3H"	-3.021828
"889665"	56.3421906666667	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-3H"	-3.021828
"4958"	171.041124	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H"	-2.014552
"448893"	257.065324	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H"	-2.014552
"824509"	85.016924	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H"	-2.014552
"86688"	343.089524	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-H"	-1.007276
"528438"	515.137924	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-H"	-1.007276
"905145"	171.041124	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H"	-1.007276
"52960"	360.116071	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H+NH4"	16.019271
"494709"	532.164471	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H+NH4"	16.019271
"870326"	188.067671	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H+NH4"	16.019271
"37134"	365.071466	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H+Na"	20.974666
"483256"	537.119866	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H+Na"	20.974666
"861056"	193.023066	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H+Na"	20.974666
"1630593"	193.023066	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na-2H"	20.974666
"99468"	189.029463	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-H+Cl"	33.962126
"535259"	275.053663	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-H+Cl"	33.962126
"935824"	103.005263	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+Cl"	33.962126
"276571"	379.066202	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Cl"	34.969402
"667171"	551.114602	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+Cl"	34.969402
"1280667"	207.017802	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl"	34.969402
"23223"	381.045406	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M-2H+K"	36.948606
"462055"	553.093806	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M-2H+K"	36.948606
"836211"	208.997006	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-2H+K"	36.948606
"1561886"	208.997006	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K-2H"	36.948606
"950134"	217.046594	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+HCOOH"	44.998194
"367985"	389.095001	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+HCOOH-H"	44.998201
"352232"	403.110651	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Hac-H"	59.013851
"1498516"	231.062251	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Hac-H"	59.013851
"963869"	239.028551	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+NaCOOH"	66.980151
"116420"	207.017802	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2Cl"	69.938804
"557441"	293.042002	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2Cl"	69.938804
"1023323"	120.993602	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2Cl"	69.938804
"1241601"	250.967285	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Br"	78.918885
"1304985"	253.023272	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl+HCOOH"	80.974872
"1320659"	275.005229	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl+NaCOOH"	102.956829
"912812"	285.033986	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M-H+CF3COOH"	112.985586
"1293531"	321.010664	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Cl+CF3COOH"	148.962264
"1371694"	137.035724	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H-2H2O"	-35.012676
"1391376"	155.0457	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H-H2O"	-17.0027
"289970"	345.104076	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H"	1.007276
"691267"	517.152476	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H"	1.007276
"1364943"	173.055676	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H"	1.007276
"137106"	173.055676	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2H"	2.014552
"576670"	259.079876	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2H"	2.014552
"1042189"	87.031476	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2H"	2.014552
"209000"	115.706209333333	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+3H"	3.021828
"648559"	173.055676	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+3H"	3.021828
"1169963"	58.3567426666667	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+3H"	3.021828
"433234"	362.130623	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+NH4"	18.033823
"787668"	534.179023	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+NH4"	18.033823
"1683269"	190.082223	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+NH4"	18.033823
"332277"	181.5689495	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H+NH4"	19.041099
"731263"	267.5931495	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H+NH4"	19.041099
"1482895"	95.5447495	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+NH4"	19.041099
"398295"	367.086018	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Na"	22.989218
"759290"	539.134418	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+Na"	22.989218
"1608483"	195.037618	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na"	22.989218
"321800"	184.046647	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H+Na"	23.996494
"717504"	270.070847	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H+Na"	23.996494
"1471322"	98.022447	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+Na"	23.996494
"1062383"	65.6840566666667	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2H+Na"	25.00377
"1264061"	205.081886	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+CH3OH+H"	33.033486
"380444"	383.059958	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+K"	38.963158
"741809"	555.108358	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+K"	38.963158
"1542405"	211.011558	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K"	38.963158
"301038"	192.033617	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+H+K"	39.970434
"695283"	278.057817	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+H+K"	39.970434
"1449104"	106.009417	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+K"	39.970434
"239892"	386.130626	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+ACN+H"	42.033826
"1215882"	214.082226	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+ACN+H"	42.033826
"1199766"	107.544751	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+ACN+2H"	43.041102
"197012"	389.06796	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2Na-H"	44.97116
"639853"	561.11636	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2Na-H"	44.97116
"1141173"	217.01956	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2Na-H"	44.97116
"185558"	195.037618	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2Na"	45.978436
"623294"	281.061818	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2Na"	45.978436
"1126799"	109.013418	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2Na"	45.978436
"1406681"	73.0113706666667	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+2Na"	46.985712
"1440618"	219.061146	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+HCOOH"	47.012746
"227396"	200.07064	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+3H2O+2H"	56.04448
"1515458"	233.11319	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+IsoProp+H"	61.06479
"414053"	203.024588	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+Na+K"	61.952376
"780152"	289.048788	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+Na+K"	61.952376
"1676485"	117.000388	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na+K"	61.952376
"262285"	408.112568	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+ACN+Na"	64.015768
"1231711"	236.064168	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+ACN+Na"	64.015768
"1726918"	236.087693	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+NH4+HCOOH"	64.039293
"1189232"	80.3386846666667	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+3Na"	68.967654
"1660216"	241.043088	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na+HCOOH"	68.994688
"161244"	421.01584	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2K-H"	76.91904
"604448"	593.06424	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2K-H"	76.91904
"1087505"	248.96744	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2K-H"	76.91904
"143958"	211.011558	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"2M+2K"	77.926316
"585342"	297.035758	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"3M+2K"	77.926316
"1075324"	124.987358	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2K"	77.926316
"1103427"	250.981992	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2K+H"	78.933592
"1344917"	251.069607	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+DMSO+H"	79.021207
"1013448"	255.108776	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2ACN+H"	83.060376
"1529384"	256.102408	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+IsoProp+Na+H"	84.054008
"993280"	128.058026	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+2ACN+2H"	84.067652
"1593617"	257.017028	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K+HCOOH"	84.968628
"1418182"	287.048538	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+H+CF3COOH"	115.000138
"1150659"	148.571301	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+3ACN+2H"	125.094202
"1701302"	304.075085	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+NH4+CF3COOH"	132.026685
"1639144"	309.03048	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+Na+CF3COOH"	136.98208
"1580263"	325.00442	"C20893"	"3-(5-Oxoisoxazolin-4-yl)-L-alanine;beta-(Isoxazolin-5-on-4-yl)-L-alanine"	"C6H8N2O4"	"172.0484"	"M+K+CF3COOH"	152.95602
"810628"	432.3028	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M"	0
"980881"	413.28441	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-H2O-H"	-19.01839
"73499"	287.194590666667	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M-3H"	-3.021828
"510879"	431.295524	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M-3H"	-3.021828
"889775"	143.093657333333	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-3H"	-3.021828
"6161"	431.295524	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M-2H"	-2.014552
"449005"	647.446924	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M-2H"	-2.014552
"824619"	215.144124	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-2H"	-2.014552
"85705"	863.598324	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M-H"	-1.007276
"525268"	1295.901124	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M-H"	-1.007276
"900884"	431.295524	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-H"	-1.007276
"53071"	880.624871	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M-2H+NH4"	16.019271
"494817"	1312.927671	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M-2H+NH4"	16.019271
"871530"	448.322071	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-2H+NH4"	16.019271
"40525"	885.580266	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M-2H+Na"	20.974666
"483002"	1317.883066	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M-2H+Na"	20.974666
"858980"	453.277466	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-2H+Na"	20.974666
"1629608"	453.277466	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Na-2H"	20.974666
"99578"	449.283863	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M-H+Cl"	33.962126
"538044"	665.435263	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M-H+Cl"	33.962126
"935934"	233.132463	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-H+Cl"	33.962126
"276681"	899.575002	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+Cl"	34.969402
"670197"	1331.877802	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+Cl"	34.969402
"1282600"	467.272202	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Cl"	34.969402
"26251"	901.554206	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M-2H+K"	36.948606
"464718"	1333.857006	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M-2H+K"	36.948606
"839237"	469.251406	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-2H+K"	36.948606
"1559809"	469.251406	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+K-2H"	36.948606
"950608"	477.300994	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-H+HCOOH"	44.998194
"376114"	909.603801	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+HCOOH-H"	44.998201
"357081"	923.619451	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+Hac-H"	59.013851
"1498262"	491.316651	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Hac-H"	59.013851
"963615"	499.282951	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-H+NaCOOH"	66.980151
"115802"	467.272202	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+2Cl"	69.938804
"559737"	683.423602	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+2Cl"	69.938804
"1021730"	251.120802	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2Cl"	69.938804
"1242280"	511.221685	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Br"	78.918885
"1305458"	513.277672	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Cl+HCOOH"	80.974872
"1321499"	535.259629	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Cl+NaCOOH"	102.956829
"913651"	545.288386	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M-H+CF3COOH"	112.985586
"1290724"	581.265064	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Cl+CF3COOH"	148.962264
"1377272"	397.290124	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H-2H2O"	-35.012676
"1390392"	415.3001	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H-H2O"	-17.0027
"291173"	865.612876	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+H"	1.007276
"683594"	1297.915676	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+H"	1.007276
"1364689"	433.310076	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H"	1.007276
"139405"	433.310076	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+2H"	2.014552
"573499"	649.461476	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+2H"	2.014552
"1042300"	217.158676	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2H"	2.014552
"210201"	289.209142666667	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+3H"	3.021828
"650856"	433.310076	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+3H"	3.021828
"1168980"	145.108209333333	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+3H"	3.021828
"433343"	882.639423	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+NH4"	18.033823
"790330"	1314.942223	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+NH4"	18.033823
"1687390"	450.336623	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+NH4"	18.033823
"335673"	441.8233495	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+H+NH4"	19.041099
"729185"	657.9747495	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+H+NH4"	19.041099
"1483005"	225.6719495	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H+NH4"	19.041099
"401686"	887.594818	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+Na"	22.989218
"759767"	1319.897618	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+Na"	22.989218
"1609687"	455.292018	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Na"	22.989218
"325192"	444.301047	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+H+Na"	23.996494
"718708"	660.452447	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+H+Na"	23.996494
"1471434"	228.149647	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H+Na"	23.996494
"1065773"	152.435523333333	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2H+Na"	25.00377
"1269639"	465.336286	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+CH3OH+H"	33.033486
"380920"	903.568758	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+K"	38.963158
"744835"	1335.871558	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+K"	38.963158
"1546890"	471.265958	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+K"	38.963158
"305159"	452.288017	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+H+K"	39.970434
"695393"	668.439417	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+H+K"	39.970434
"1447392"	236.136617	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H+K"	39.970434
"241095"	906.639426	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+ACN+H"	42.033826
"1213805"	474.336626	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+ACN+H"	42.033826
"1200970"	237.671951	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+ACN+2H"	43.041102
"197121"	909.57676	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+2Na-H"	44.97116
"639963"	1341.87956	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+2Na-H"	44.97116
"1140188"	477.27396	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2Na-H"	44.97116
"184937"	455.292018	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+2Na"	45.978436
"623039"	671.443418	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+2Na"	45.978436
"1128003"	239.140618	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2Na"	45.978436
"1409340"	159.762837333333	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H+2Na"	46.985712
"1442918"	479.315546	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H+HCOOH"	47.012746
"227505"	460.32504	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+3H2O+2H"	56.04448
"1520307"	493.36759	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+IsoProp+H"	61.06479
"414162"	463.278988	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+Na+K"	61.952376
"775158"	679.430388	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+Na+K"	61.952376
"1676959"	247.127588	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Na+K"	61.952376
"265673"	928.621368	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+ACN+Na"	64.015768
"1235102"	496.318568	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+ACN+Na"	64.015768
"1727028"	496.342093	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+NH4+HCOOH"	64.039293
"1191530"	167.090151333333	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+3Na"	68.967654
"1660326"	501.297488	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Na+HCOOH"	68.994688
"162814"	941.52464	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+2K-H"	76.91904
"601280"	1373.82744	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+2K-H"	76.91904
"1086887"	509.22184	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2K-H"	76.91904
"146982"	471.265958	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"2M+2K"	77.926316
"585452"	687.417358	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"3M+2K"	77.926316
"1076526"	255.114558	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2K"	77.926316
"1103174"	511.236392	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2K+H"	78.933592
"1339559"	511.324007	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+DMSO+H"	79.021207
"1013558"	515.363176	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2ACN+H"	83.060376
"1528402"	516.356808	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+IsoProp+Na+H"	84.054008
"991568"	258.185226	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+2ACN+2H"	84.067652
"1593727"	517.271428	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+K+HCOOH"	84.968628
"1420480"	547.302938	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+H+CF3COOH"	115.000138
"1151862"	278.698501	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+3ACN+2H"	125.094202
"1701413"	564.329485	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+NH4+CF3COOH"	132.026685
"1642534"	569.28488	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+Na+CF3COOH"	136.98208
"1583653"	585.25882	"C20894"	"beta-Citraurin;3-Hydroxy-beta-apo-8-carotenal"	"C30H40O2"	"432.3028"	"M+K+CF3COOH"	152.95602
"809645"	179.0946	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M"	0
"980991"	160.07621	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-H2O-H"	-19.01839
"73609"	118.389124	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M-3H"	-3.021828
"507709"	178.087324	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M-3H"	-3.021828
"888791"	58.690924	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-3H"	-3.021828
"273"	178.087324	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H"	-2.014552
"442550"	267.634624	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H"	-2.014552
"822539"	88.540024	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-2H"	-2.014552
"86908"	357.181924	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M-H"	-1.007276
"525377"	536.276524	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M-H"	-1.007276
"902082"	178.087324	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-H"	-1.007276
"53177"	374.208471	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H+NH4"	16.019271
"488487"	553.303071	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H+NH4"	16.019271
"864296"	195.113871	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-2H+NH4"	16.019271
"31915"	379.163866	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H+Na"	20.974666
"472527"	558.258466	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H+Na"	20.974666
"852529"	200.069266	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-2H+Na"	20.974666
"1624249"	200.069266	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Na-2H"	20.974666
"102967"	196.075663	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M-H+Cl"	33.962126
"542528"	285.622963	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M-H+Cl"	33.962126
"931670"	106.528363	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-H+Cl"	33.962126
"267918"	393.158602	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+Cl"	34.969402
"663013"	572.253202	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+Cl"	34.969402
"1277240"	214.064002	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl"	34.969402
"18703"	395.137806	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M-2H+K"	36.948606
"456520"	574.232406	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M-2H+K"	36.948606
"837157"	216.043206	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-2H+K"	36.948606
"1558459"	216.043206	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+K-2H"	36.948606
"943789"	224.092794	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-H+HCOOH"	44.998194
"365651"	403.187401	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+HCOOH-H"	44.998201
"355003"	417.203051	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+Hac-H"	59.013851
"1504564"	238.108451	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Hac-H"	59.013851
"967005"	246.074751	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-H+NaCOOH"	66.980151
"114819"	214.064002	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+2Cl"	69.938804
"558753"	303.611302	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+2Cl"	69.938804
"1023907"	124.516702	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2Cl"	69.938804
"1249318"	258.013485	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Br"	78.918885
"1304476"	260.069472	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl+HCOOH"	80.974872
"1321609"	282.051429	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl+NaCOOH"	102.956829
"912668"	292.080186	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M-H+CF3COOH"	112.985586
"1291198"	328.056864	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Cl+CF3COOH"	148.962264
"1377382"	144.081924	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H-2H2O"	-35.012676
"1388680"	162.0919	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H-H2O"	-17.0027
"291283"	359.196476	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+H"	1.007276
"680423"	538.291076	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+H"	1.007276
"1364799"	180.101876	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H"	1.007276
"140245"	180.101876	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+2H"	2.014552
"576890"	269.649176	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+2H"	2.014552
"1045690"	90.554576	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2H"	2.014552
"210311"	120.403676	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+3H"	3.021828
"650966"	180.101876	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+3H"	3.021828
"1167996"	60.705476	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+3H"	3.021828
"432365"	376.223023	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+NH4"	18.033823
"791169"	555.317623	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+NH4"	18.033823
"1688594"	197.128423	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+NH4"	18.033823
"336876"	188.6151495	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+H+NH4"	19.041099
"729295"	278.1624495	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+H+NH4"	19.041099
"1483115"	99.0678495	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H+NH4"	19.041099
"401796"	381.178418	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+Na"	22.989218
"759877"	560.273018	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+Na"	22.989218
"1608703"	202.083818	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Na"	22.989218
"323114"	191.092847	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+H+Na"	23.996494
"716628"	280.640147	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+H+Na"	23.996494
"1470447"	101.545547	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H+Na"	23.996494
"1064059"	68.03279	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2H+Na"	25.00377
"1264279"	212.128086	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+CH3OH+H"	33.033486
"378115"	397.152358	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+K"	38.963158
"740206"	576.246958	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+K"	38.963158
"1541533"	218.057758	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+K"	38.963158
"301989"	199.079817	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+H+K"	39.970434
"695503"	288.627117	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+H+K"	39.970434
"1448232"	109.532517	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H+K"	39.970434
"240113"	400.223026	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+ACN+H"	42.033826
"1210999"	221.128426	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+ACN+H"	42.033826
"1199987"	111.067851	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+ACN+2H"	43.041102
"195045"	403.16036	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+2Na-H"	44.97116
"636792"	582.25496	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+2Na-H"	44.97116
"1140299"	224.06576	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2Na-H"	44.97116
"180309"	202.083818	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+2Na"	45.978436
"622054"	291.631118	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+2Na"	45.978436
"1125197"	112.536518	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2Na"	45.978436
"1405804"	75.360104	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H+2Na"	46.985712
"1439016"	226.107346	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H+HCOOH"	47.012746
"225429"	207.11684	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+3H2O+2H"	56.04448
"1517865"	240.15939	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+IsoProp+H"	61.06479
"412085"	210.070788	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+Na+K"	61.952376
"770895"	299.618088	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+Na+K"	61.952376
"1675976"	120.523488	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Na+K"	61.952376
"263597"	422.204968	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+ACN+Na"	64.015768
"1231932"	243.110368	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+ACN+Na"	64.015768
"1721913"	243.133893	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+NH4+HCOOH"	64.039293
"1191640"	82.687418	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+3Na"	68.967654
"1654970"	248.089288	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Na+HCOOH"	68.994688
"160736"	435.10824	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+2K-H"	76.91904
"600661"	614.20284	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+2K-H"	76.91904
"1086632"	256.01364	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2K-H"	76.91904
"147092"	218.057758	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"2M+2K"	77.926316
"588842"	307.605058	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"3M+2K"	77.926316
"1076636"	128.510458	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2K"	77.926316
"1102190"	258.028192	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2K+H"	78.933592
"1338576"	258.115807	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+DMSO+H"	79.021207
"1010388"	262.154976	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2ACN+H"	83.060376
"1527419"	263.148608	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+IsoProp+Na+H"	84.054008
"991677"	131.581126	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+2ACN+2H"	84.067652
"1591650"	264.063228	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+K+HCOOH"	84.968628
"1418404"	294.094738	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+H+CF3COOH"	115.000138
"1150879"	152.094401	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+3ACN+2H"	125.094202
"1701523"	311.121285	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+NH4+CF3COOH"	132.026685
"1639364"	316.07668	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+Na+CF3COOH"	136.98208
"1580483"	332.05062	"C20895"	"(2S3S)-3-Methylphenylalanine"	"C10H13NO2"	"179.0946"	"M+K+CF3COOH"	152.95602
"813036"	192.027	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M"	0
"986571"	173.00861	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"78098"	127.010724	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"511099"	191.019724	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"886714"	63.001724	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"911"	191.019724	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"444847"	287.033224	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"823740"	95.006224	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"90297"	383.046724	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"528767"	575.073724	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"902192"	191.019724	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"50007"	400.073271	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"490662"	592.100271	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"864812"	208.046271	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"32350"	405.028666	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"472882"	597.055666	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"853731"	213.001666	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1624358"	213.001666	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"103077"	209.008063	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"541545"	305.021563	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"930687"	112.994563	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"269609"	419.023402	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"667132"	611.050402	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1277350"	226.996402	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"16867"	421.002606	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"459830"	613.029606	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"837267"	228.975606	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1557475"	228.975606	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"944991"	237.025194	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"365396"	429.052201	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"356206"	443.067851	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1502851"	251.040851	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"966022"	259.007151	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"116386"	226.996402	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"559956"	323.009902	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1023652"	130.982902	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1249428"	270.945885	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1305314"	273.001872	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1320625"	294.983829	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"912777"	305.012586	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1289484"	340.989264	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1380407"	157.014324	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1386238"	175.0243	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"292486"	385.061276	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"679804"	577.088276	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1363816"	193.034276	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H"	1.007276
"140598"	193.034276	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"579188"	289.047776	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1047987"	97.020776	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"210421"	129.025276	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"649984"	193.034276	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1169200"	65.016276	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"430285"	402.087823	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"792373"	594.114823	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1690892"	210.060823	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"336984"	201.5475495	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"729405"	297.5610495	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1484319"	105.5340495	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"399719"	407.043218	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"760716"	599.070218	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1609906"	215.016218	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"322131"	204.025247	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"716738"	300.038747	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1471650"	108.011747	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1061616"	72.34359	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1265483"	225.060486	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"379686"	423.017158	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"742870"	615.044158	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1549298"	230.990158	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+K"	38.963158
"301005"	212.012217	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"695614"	308.025717	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1450529"	115.998717	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"240224"	426.087826	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1218400"	234.060826	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1200097"	117.534051	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"194061"	429.02516	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"635811"	621.05216	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1141868"	236.99816	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"181514"	215.016218	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"622167"	311.029718	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1123486"	119.002718	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1407008"	79.670904	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1439126"	239.039746	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"228819"	220.04924	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1516882"	253.09179	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"412195"	223.003188	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"771005"	319.016688	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1676086"	126.989688	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"266708"	448.069768	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1234228"	256.042768	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1725303"	256.066293	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1192843"	86.998218	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1656174"	261.021688	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"161939"	460.97304	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"608061"	653.00004	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1090387"	268.94604	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"148296"	230.990158	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"595513"	327.003658	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1076746"	134.976658	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1102665"	270.960592	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1338686"	271.048207	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1012685"	275.087376	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1526436"	276.081008	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"990449"	138.047326	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1589573"	276.995628	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1423980"	307.027138	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1150988"	158.560601	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1704913"	324.053685	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1639474"	329.00908	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1580593"	344.98302	"C20896"	"D-Galactaro-14-lactone"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"805491"	124.016	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M"	0
"976111"	104.99761	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-H2O-H"	-19.01839
"65448"	81.6700573333333	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M-3H"	-3.021828
"505740"	123.008724	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M-3H"	-3.021828
"881717"	40.3313906666667	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-3H"	-3.021828
"7581"	123.008724	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M-2H"	-2.014552
"446048"	185.016724	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M-2H"	-2.014552
"826039"	61.000724	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-2H"	-2.014552
"81661"	247.024724	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M-H"	-1.007276
"524501"	371.040724	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M-H"	-1.007276
"900117"	123.008724	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-H"	-1.007276
"49020"	264.051271	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M-2H+NH4"	16.019271
"490768"	388.067271	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M-2H+NH4"	16.019271
"865654"	140.035271	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-2H+NH4"	16.019271
"34291"	269.006666	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M-2H+Na"	20.974666
"477134"	393.022666	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M-2H+Na"	20.974666
"856030"	144.990666	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-2H+Na"	20.974666
"1624472"	144.990666	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Na-2H"	20.974666
"94917"	140.997063	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M-H+Cl"	33.962126
"538376"	203.005063	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M-H+Cl"	33.962126
"934078"	78.989063	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-H+Cl"	33.962126
"270814"	283.001402	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+Cl"	34.969402
"664328"	407.017402	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+Cl"	34.969402
"1273324"	158.985402	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Cl"	34.969402
"16561"	284.980606	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M-2H+K"	36.948606
"456892"	408.996606	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M-2H+K"	36.948606
"834827"	160.964606	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-2H+K"	36.948606
"1559044"	160.964606	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+K-2H"	36.948606
"945100"	169.014194	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-H+HCOOH"	44.998194
"364048"	293.030201	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+HCOOH-H"	44.998201
"351944"	307.045851	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+Hac-H"	59.013851
"1493241"	183.029851	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Hac-H"	59.013851
"958961"	190.996151	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-H+NaCOOH"	66.980151
"114311"	158.985402	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+2Cl"	69.938804
"553868"	220.993402	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+2Cl"	69.938804
"1025950"	96.977402	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2Cl"	69.938804
"1244068"	202.934885	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Br"	78.918885
"1305059"	204.990872	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Cl+HCOOH"	80.974872
"1324018"	226.972829	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Cl+NaCOOH"	102.956829
"914348"	237.001586	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M-H+CF3COOH"	112.985586
"1298349"	272.978264	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Cl+CF3COOH"	148.962264
"1376510"	89.003324	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H-2H2O"	-35.012676
"1388902"	107.0133	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H-H2O"	-17.0027
"294788"	249.039276	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+H"	1.007276
"689768"	373.055276	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+H"	1.007276
"1362474"	125.023276	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H"	1.007276
"135364"	125.023276	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+2H"	2.014552
"576020"	187.031276	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+2H"	2.014552
"1043724"	63.015276	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2H"	2.014552
"210532"	83.6846093333333	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+3H"	3.021828
"654464"	125.023276	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+3H"	3.021828
"1168216"	42.3459426666667	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+3H"	3.021828
"426020"	266.065823	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+NH4"	18.033823
"791390"	390.081823	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+NH4"	18.033823
"1689910"	142.049823	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+NH4"	18.033823
"338188"	133.5365495	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+H+NH4"	19.041099
"731703"	195.5445495	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+H+NH4"	19.041099
"1484429"	71.5285495	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H+NH4"	19.041099
"399830"	271.021218	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+Na"	22.989218
"761917"	395.037218	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+Na"	22.989218
"1611111"	147.005218	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Na"	22.989218
"326615"	136.014247	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+H+Na"	23.996494
"720131"	198.022247	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+H+Na"	23.996494
"1471760"	74.006247	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H+Na"	23.996494
"1060634"	49.6732566666667	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2H+Na"	25.00377
"1264503"	157.049486	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+CH3OH+H"	33.033486
"381986"	286.995158	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+K"	38.963158
"741887"	411.011158	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+K"	38.963158
"1540414"	162.979158	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+K"	38.963158
"300386"	144.001217	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+H+K"	39.970434
"695724"	206.009217	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+H+K"	39.970434
"1452825"	81.993217	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H+K"	39.970434
"240335"	290.065826	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+ACN+H"	42.033826
"1214141"	166.049826	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+ACN+H"	42.033826
"1198023"	83.528551	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+ACN+2H"	43.041102
"195268"	293.00316	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+2Na-H"	44.97116
"637014"	417.01916	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+2Na-H"	44.97116
"1138333"	168.98716	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2Na-H"	44.97116
"179437"	147.005218	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+2Na"	45.978436
"622278"	209.013218	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+2Na"	45.978436
"1117156"	84.997218	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2Na"	45.978436
"1401648"	57.0005706666667	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H+2Na"	46.985712
"1431578"	171.028746	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H+HCOOH"	47.012746
"221276"	152.03824	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+3H2O+2H"	56.04448
"1509340"	185.08079	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+IsoProp+H"	61.06479
"420331"	154.992188	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+Na+K"	61.952376
"782422"	217.000188	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+Na+K"	61.952376
"1679119"	92.984188	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Na+K"	61.952376
"261630"	312.047768	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+ACN+Na"	64.015768
"1236526"	188.031768	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+ACN+Na"	64.015768
"1718848"	188.055293	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+NH4+HCOOH"	64.039293
"1185296"	64.3278846666667	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+3Na"	68.967654
"1654095"	193.010688	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Na+HCOOH"	68.994688
"162052"	324.95104	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+2K-H"	76.91904
"599424"	448.96704	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+2K-H"	76.91904
"1086123"	200.93504	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2K-H"	76.91904
"145490"	162.979158	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"2M+2K"	77.926316
"585782"	224.987158	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"3M+2K"	77.926316
"1074670"	100.971158	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2K"	77.926316
"1106786"	202.949592	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2K+H"	78.933592
"1343172"	203.037207	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+DMSO+H"	79.021207
"1010608"	207.076376	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2ACN+H"	83.060376
"1526910"	208.070008	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+IsoProp+Na+H"	84.054008
"992627"	104.041826	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+2ACN+2H"	84.067652
"1592963"	208.984628	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+K+HCOOH"	84.968628
"1415099"	239.016138	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+H+CF3COOH"	115.000138
"1148913"	124.555101	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+3ACN+2H"	125.094202
"1701747"	256.042685	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+NH4+CF3COOH"	132.026685
"1635572"	260.99808	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+Na+CF3COOH"	136.98208
"1571956"	276.97202	"C20899"	"Furan-25-dicarbaldehyde;25-Furandicarboxaldehyde"	"C6H4O3"	"124.016"	"M+K+CF3COOH"	152.95602
"809976"	142.0266	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M"	0
"988857"	123.00821	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-H2O-H"	-19.01839
"73941"	93.677124	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M-3H"	-3.021828
"508037"	141.019324	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M-3H"	-3.021828
"884747"	46.334924	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-3H"	-3.021828
"4412"	141.019324	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M-2H"	-2.014552
"449440"	212.032624	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M-2H"	-2.014552
"825057"	70.006024	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-2H"	-2.014552
"86143"	283.045924	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M-H"	-1.007276
"525703"	425.072524	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M-H"	-1.007276
"901320"	141.019324	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-H"	-1.007276
"53506"	300.072471	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M-2H+NH4"	16.019271
"491972"	442.099071	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M-2H+NH4"	16.019271
"868682"	158.045871	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-2H+NH4"	16.019271
"32578"	305.027866	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M-2H+Na"	20.974666
"474085"	447.054466	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M-2H+Na"	20.974666
"852860"	163.001266	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-2H+Na"	20.974666
"1623489"	163.001266	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Na-2H"	20.974666
"94786"	159.007663	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M-H+Cl"	33.962126
"537393"	230.020963	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M-H+Cl"	33.962126
"933095"	87.994363	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-H+Cl"	33.962126
"269100"	319.022602	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+Cl"	34.969402
"661030"	461.049202	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+Cl"	34.969402
"1274284"	176.996002	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Cl"	34.969402
"16306"	321.001806	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M-2H+K"	36.948606
"456637"	463.028406	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M-2H+K"	36.948606
"835301"	178.975206	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-2H+K"	36.948606
"1556602"	178.975206	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+K-2H"	36.948606
"946668"	187.024794	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-H+HCOOH"	44.998194
"364158"	329.051401	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+HCOOH-H"	44.998201
"348043"	343.067051	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+Hac-H"	59.013851
"1494687"	201.040451	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Hac-H"	59.013851
"959795"	209.006751	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-H+NaCOOH"	66.980151
"114057"	176.996002	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+2Cl"	69.938804
"554342"	248.009302	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+2Cl"	69.938804
"1026424"	105.982702	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2Cl"	69.938804
"1243205"	220.945485	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Br"	78.918885
"1305653"	223.001472	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Cl+HCOOH"	80.974872
"1321212"	244.983429	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Cl+NaCOOH"	102.956829
"914458"	255.012186	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M-H+CF3COOH"	112.985586
"1298459"	290.988864	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Cl+CF3COOH"	148.962264
"1372246"	107.013924	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H-2H2O"	-35.012676
"1390835"	125.0239	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H-H2O"	-17.0027
"294898"	285.060476	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+H"	1.007276
"690971"	427.087076	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+H"	1.007276
"1363679"	143.033876	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H"	1.007276
"135475"	143.033876	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+2H"	2.014552
"573944"	214.047176	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+2H"	2.014552
"1041649"	72.020576	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2H"	2.014552
"207363"	95.691676	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+3H"	3.021828
"652391"	143.033876	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+3H"	3.021828
"1170513"	48.349476	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+3H"	3.021828
"425402"	302.087023	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+NH4"	18.033823
"791501"	444.113623	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+NH4"	18.033823
"1688927"	160.060423	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+NH4"	18.033823
"337205"	151.5471495	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+H+NH4"	19.041099
"728534"	222.5604495	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+H+NH4"	19.041099
"1484539"	80.5338495	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H+NH4"	19.041099
"397754"	307.042418	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+Na"	22.989218
"760933"	449.069018	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+Na"	22.989218
"1609034"	165.015818	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Na"	22.989218
"324539"	154.024847	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+H+Na"	23.996494
"720242"	225.038147	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+H+Na"	23.996494
"1469684"	83.011547	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H+Na"	23.996494
"1059651"	55.67679	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2H+Na"	25.00377
"1259266"	175.060086	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+CH3OH+H"	33.033486
"382095"	323.016358	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+K"	38.963158
"741996"	465.042958	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+K"	38.963158
"1541374"	180.989758	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+K"	38.963158
"299765"	162.011817	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+H+K"	39.970434
"695834"	233.025117	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+H+K"	39.970434
"1455121"	90.998517	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H+K"	39.970434
"243725"	326.087026	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+ACN+H"	42.033826
"1213157"	184.060426	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+ACN+H"	42.033826
"1198134"	92.533851	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+ACN+2H"	43.041102
"194285"	329.02436	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+2Na-H"	44.97116
"637124"	471.05096	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+2Na-H"	44.97116
"1140631"	186.99776	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2Na-H"	44.97116
"182825"	165.015818	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+2Na"	45.978436
"623479"	236.029118	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+2Na"	45.978436
"1122611"	94.002518	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2Na"	45.978436
"1402851"	63.004104	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H+2Na"	46.985712
"1433875"	189.039346	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H+HCOOH"	47.012746
"222478"	170.04884	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+3H2O+2H"	56.04448
"1517105"	203.09139	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+IsoProp+H"	61.06479
"421169"	173.002788	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+Na+K"	61.952376
"779980"	244.016088	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+Na+K"	61.952376
"1677407"	101.989488	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Na+K"	61.952376
"258460"	348.068968	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+ACN+Na"	64.015768
"1233355"	206.042368	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+ACN+Na"	64.015768
"1715678"	206.065893	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+NH4+HCOOH"	64.039293
"1183220"	70.331418	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+3Na"	68.967654
"1650925"	211.021288	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Na+HCOOH"	68.994688
"163254"	360.97224	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+2K-H"	76.91904
"600626"	502.99884	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+2K-H"	76.91904
"1089513"	218.94564	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2K-H"	76.91904
"147422"	180.989758	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"2M+2K"	77.926316
"585160"	252.003058	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"3M+2K"	77.926316
"1072228"	109.976458	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2K"	77.926316
"1106897"	220.960192	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2K+H"	78.933592
"1343282"	221.047807	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+DMSO+H"	79.021207
"1010718"	225.086976	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2ACN+H"	83.060376
"1527749"	226.080608	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+IsoProp+Na+H"	84.054008
"991156"	113.047126	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+2ACN+2H"	84.067652
"1593073"	226.995228	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+K+HCOOH"	84.968628
"1419827"	257.026738	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+H+CF3COOH"	115.000138
"1151210"	133.560401	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+3ACN+2H"	125.094202
"1701857"	274.053285	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+NH4+CF3COOH"	132.026685
"1636412"	279.00868	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+Na+CF3COOH"	136.98208
"1572187"	294.98262	"C20900"	"5-(Dihydroxymethyl)furan-2-carbaldehyde"	"C6H6O4"	"142.0266"	"M+K+CF3COOH"	152.95602
"815190"	158.0215	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M"	0
"989088"	139.00311	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-H2O-H"	-19.01839
"77331"	104.340390666667	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M-3H"	-3.021828
"510337"	157.014224	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M-3H"	-3.021828
"889232"	51.6665573333333	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-3H"	-3.021828
"8898"	157.014224	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M-2H"	-2.014552
"451740"	236.024974	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M-2H"	-2.014552
"829542"	78.003474	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-2H"	-2.014552
"88441"	315.035724	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M-H"	-1.007276
"528001"	473.057224	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M-H"	-1.007276
"904710"	157.014224	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-H"	-1.007276
"55803"	332.062271	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M-2H+NH4"	16.019271
"492083"	490.083771	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M-2H+NH4"	16.019271
"867700"	174.040771	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-2H+NH4"	16.019271
"31958"	337.017666	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M-2H+Na"	20.974666
"485377"	495.039166	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M-2H+Na"	20.974666
"862813"	178.996166	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-2H+Na"	20.974666
"1629796"	178.996166	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Na-2H"	20.974666
"103409"	175.002563	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M-H+Cl"	33.962126
"541876"	254.013313	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M-H+Cl"	33.962126
"936486"	95.991813	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-H+Cl"	33.962126
"270668"	351.012402	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+Cl"	34.969402
"667465"	509.033902	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+Cl"	34.969402
"1275493"	192.990902	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Cl"	34.969402
"19142"	352.991606	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M-2H+K"	36.948606
"457001"	511.013106	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M-2H+K"	36.948606
"834682"	194.970106	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-2H+K"	36.948606
"1558533"	194.970106	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+K-2H"	36.948606
"947508"	203.019694	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-H+HCOOH"	44.998194
"365357"	361.041201	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+HCOOH-H"	44.998201
"350342"	375.056851	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+Hac-H"	59.013851
"1495528"	217.035351	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Hac-H"	59.013851
"962340"	225.001651	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-H+NaCOOH"	66.980151
"119633"	192.990902	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+2Cl"	69.938804
"559195"	272.001652	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+2Cl"	69.938804
"1031273"	113.980152	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2Cl"	69.938804
"1245017"	236.940385	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Br"	78.918885
"1308197"	238.996372	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Cl+HCOOH"	80.974872
"1320958"	260.978329	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Cl+NaCOOH"	102.956829
"915297"	271.007086	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M-H+CF3COOH"	112.985586
"1297476"	306.983764	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Cl+CF3COOH"	148.962264
"1374543"	123.008824	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H-2H2O"	-35.012676
"1390945"	141.0188	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H-H2O"	-17.0027
"297926"	317.050276	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+H"	1.007276
"689987"	475.071776	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+H"	1.007276
"1361602"	159.028776	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H"	1.007276
"134492"	159.028776	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+2H"	2.014552
"571869"	238.039526	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+2H"	2.014552
"1041760"	80.018026	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2H"	2.014552
"207837"	106.354942666667	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+3H"	3.021828
"647398"	159.028776	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+3H"	3.021828
"1166251"	53.6811093333333	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+3H"	3.021828
"427337"	334.076823	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+NH4"	18.033823
"789060"	492.098323	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+NH4"	18.033823
"1681824"	176.055323	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+NH4"	18.033823
"336223"	167.5420495	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+H+NH4"	19.041099
"730832"	246.5527995	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+H+NH4"	19.041099
"1483557"	88.5312995	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H+NH4"	19.041099
"396404"	339.032218	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+Na"	22.989218
"759952"	497.053718	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+Na"	22.989218
"1606955"	181.010718	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Na"	22.989218
"324649"	170.019747	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+H+Na"	23.996494
"717070"	249.030497	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+H+Na"	23.996494
"1474897"	91.008997	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H+Na"	23.996494
"1059761"	61.0084233333333	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2H+Na"	25.00377
"1259620"	191.054986	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+CH3OH+H"	33.033486
"381113"	355.006158	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+K"	38.963158
"740041"	513.027658	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+K"	38.963158
"1540632"	196.984658	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+K"	38.963158
"298904"	178.006717	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+H+K"	39.970434
"692664"	257.017467	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+H+K"	39.970434
"1453045"	98.995967	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H+K"	39.970434
"242743"	358.076826	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+ACN+H"	42.033826
"1219826"	200.055326	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+ACN+H"	42.033826
"1199335"	100.531301	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+ACN+2H"	43.041102
"199863"	361.01416	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+2Na-H"	44.97116
"637236"	519.03566	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+2Na-H"	44.97116
"1143293"	202.99266	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2Na-H"	44.97116
"184030"	181.010718	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+2Na"	45.978436
"625775"	260.021468	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+2Na"	45.978436
"1130378"	101.999968	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2Na"	45.978436
"1400774"	68.3357373333333	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H+2Na"	46.985712
"1437265"	205.034246	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H+HCOOH"	47.012746
"226962"	186.04374	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+3H2O+2H"	56.04448
"1513936"	219.08629	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+IsoProp+H"	61.06479
"422011"	188.997688	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+Na+K"	61.952376
"781184"	268.008438	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+Na+K"	61.952376
"1678246"	109.986938	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Na+K"	61.952376
"259664"	380.058768	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+ACN+Na"	64.015768
"1232372"	222.037268	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+ACN+Na"	64.015768
"1717976"	222.060793	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+NH4+HCOOH"	64.039293
"1186612"	75.6630513333333	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+3Na"	68.967654
"1655410"	227.016188	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Na+HCOOH"	68.994688
"164458"	392.96204	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+2K-H"	76.91904
"601831"	550.98354	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+2K-H"	76.91904
"1090718"	234.94054	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2K-H"	76.91904
"147532"	196.984658	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"2M+2K"	77.926316
"586364"	275.995408	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"3M+2K"	77.926316
"1078171"	117.973908	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2K"	77.926316
"1112474"	236.955092	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2K+H"	78.933592
"1348859"	237.042707	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+DMSO+H"	79.021207
"1010828"	241.081876	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2ACN+H"	83.060376
"1532234"	242.075508	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+IsoProp+Na+H"	84.054008
"994306"	121.044576	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+2ACN+2H"	84.067652
"1593183"	242.990128	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+K+HCOOH"	84.968628
"1421031"	273.021638	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+H+CF3COOH"	115.000138
"1152413"	141.557851	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+3ACN+2H"	125.094202
"1701967"	290.048185	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+NH4+CF3COOH"	132.026685
"1636522"	295.00358	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+Na+CF3COOH"	136.98208
"1572297"	310.97752	"C20901"	"5-(Dihydroxymethyl)furan-2-carboxylate"	"C6H6O5"	"158.0215"	"M+K+CF3COOH"	152.95602
"810196"	162.0528	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M"	0
"986647"	143.03441	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-H2O-H"	-19.01839
"74161"	107.027924	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M-3H"	-3.021828
"512634"	161.045524	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M-3H"	-3.021828
"889342"	53.010324	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-3H"	-3.021828
"9007"	161.045524	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M-2H"	-2.014552
"450757"	242.071924	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M-2H"	-2.014552
"831840"	80.019124	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-2H"	-2.014552
"88551"	323.098324	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M-H"	-1.007276
"527018"	485.151124	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M-H"	-1.007276
"904818"	161.045524	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-H"	-1.007276
"52634"	340.124871	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M-2H+NH4"	16.019271
"492194"	502.177671	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M-2H+NH4"	16.019271
"871090"	178.072071	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-2H+NH4"	16.019271
"33529"	345.080266	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M-2H+Na"	20.974666
"483663"	507.133066	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M-2H+Na"	20.974666
"857455"	183.027466	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-2H+Na"	20.974666
"1631365"	183.027466	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Na-2H"	20.974666
"106072"	179.033863	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M-H+Cl"	33.962126
"545267"	260.060263	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M-H+Cl"	33.962126
"936596"	98.007463	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-H+Cl"	33.962126
"272967"	359.075002	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+Cl"	34.969402
"666480"	521.127802	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+Cl"	34.969402
"1279978"	197.022202	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Cl"	34.969402
"20710"	361.054206	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M-2H+K"	36.948606
"459177"	523.107006	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M-2H+K"	36.948606
"837708"	199.001406	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-2H+K"	36.948606
"1557550"	199.001406	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+K-2H"	36.948606
"945796"	207.050994	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-H+HCOOH"	44.998194
"363280"	369.103801	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+HCOOH-H"	44.998201
"354463"	383.119451	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+Hac-H"	59.013851
"1501106"	221.066651	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Hac-H"	59.013851
"967554"	229.032951	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-H+NaCOOH"	66.980151
"122660"	197.022202	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+2Cl"	69.938804
"562221"	278.048602	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+2Cl"	69.938804
"1033935"	115.995802	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2Cl"	69.938804
"1244399"	240.971685	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Br"	78.918885
"1307214"	243.027672	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Cl+HCOOH"	80.974872
"1323984"	265.009629	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Cl+NaCOOH"	102.956829
"917595"	275.038386	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M-H+CF3COOH"	112.985586
"1298680"	311.015064	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Cl+CF3COOH"	148.962264
"1380121"	127.040124	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H-2H2O"	-35.012676
"1395429"	145.0501	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H-H2O"	-17.0027
"298041"	325.112876	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+H"	1.007276
"691331"	487.165676	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+H"	1.007276
"1366086"	163.060076	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H"	1.007276
"139947"	163.060076	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+2H"	2.014552
"572343"	244.086476	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+2H"	2.014552
"1046244"	82.033676	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2H"	2.014552
"213051"	109.042476	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+3H"	3.021828
"654798"	163.060076	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+3H"	3.021828
"1170737"	55.024876	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+3H"	3.021828
"427813"	342.139423	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+NH4"	18.033823
"789899"	504.192223	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+NH4"	18.033823
"1685868"	180.086623	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+NH4"	18.033823
"343989"	171.5733495	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+H+NH4"	19.041099
"734222"	252.5997495	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+H+NH4"	19.041099
"1488042"	90.5469495	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H+NH4"	19.041099
"404533"	347.094818	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+Na"	22.989218
"764433"	509.147618	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+Na"	22.989218
"1613627"	185.042018	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Na"	22.989218
"327674"	174.051047	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+H+Na"	23.996494
"721069"	255.077447	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+H+Na"	23.996494
"1475007"	93.024647	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H+Na"	23.996494
"1060965"	62.35219	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2H+Na"	25.00377
"1261552"	195.086286	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+CH3OH+H"	33.033486
"384502"	363.068758	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+K"	38.963158
"743310"	525.121558	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+K"	38.963158
"1542082"	201.015958	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+K"	38.963158
"301445"	182.038017	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+H+K"	39.970434
"699334"	263.064417	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+H+K"	39.970434
"1450970"	101.011617	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H+K"	39.970434
"241760"	366.139426	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+ACN+H"	42.033826
"1222123"	204.086626	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+ACN+H"	42.033826
"1202725"	102.546951	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+ACN+2H"	43.041102
"201431"	369.07676	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+2Na-H"	44.97116
"640990"	531.12956	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+2Na-H"	44.97116
"1146201"	207.02396	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2Na-H"	44.97116
"187667"	185.042018	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+2Na"	45.978436
"627837"	266.068418	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+2Na"	45.978436
"1131270"	104.015618	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2Na"	45.978436
"1409269"	69.679504	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H+2Na"	46.985712
"1439563"	209.065546	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H+HCOOH"	47.012746
"228169"	190.07504	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+3H2O+2H"	56.04448
"1516232"	223.11759	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+IsoProp+H"	61.06479
"423784"	193.028988	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+Na+K"	61.952376
"785431"	274.055388	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+Na+K"	61.952376
"1680867"	112.002588	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Na+K"	61.952376
"265604"	388.121368	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+ACN+Na"	64.015768
"1233576"	226.068568	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+ACN+Na"	64.015768
"1718086"	226.092093	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+NH4+HCOOH"	64.039293
"1186722"	77.006818	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+3Na"	68.967654
"1656613"	231.047488	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Na+HCOOH"	68.994688
"163475"	401.02464	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+2K-H"	76.91904
"604128"	563.07744	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+2K-H"	76.91904
"1093014"	238.97184	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2K-H"	76.91904
"150923"	201.015958	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"2M+2K"	77.926316
"590483"	282.042358	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"3M+2K"	77.926316
"1078281"	119.989558	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2K"	77.926316
"1112584"	240.986392	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2K+H"	78.933592
"1348969"	241.074007	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+DMSO+H"	79.021207
"1014218"	245.113176	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2ACN+H"	83.060376
"1535624"	246.106808	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+IsoProp+Na+H"	84.054008
"995511"	123.060226	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+2ACN+2H"	84.067652
"1597667"	247.021428	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+K+HCOOH"	84.968628
"1425515"	277.052938	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+H+CF3COOH"	115.000138
"1159084"	143.573501	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+3ACN+2H"	125.094202
"1705357"	294.079485	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+NH4+CF3COOH"	132.026685
"1637726"	299.03488	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+Na+CF3COOH"	136.98208
"1572647"	315.00882	"C20902"	"36-Anhydro-alpha-L-galactopyranose"	"C6H10O5"	"162.0528"	"M+K+CF3COOH"	152.95602
"810306"	178.0477	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M"	0
"982746"	159.02931	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-H2O-H"	-19.01839
"74271"	117.691190666667	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M-3H"	-3.021828
"509464"	177.040424	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M-3H"	-3.021828
"889452"	58.3419573333333	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-3H"	-3.021828
"10212"	177.040424	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M-2H"	-2.014552
"450867"	266.064274	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M-2H"	-2.014552
"826482"	88.016574	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-2H"	-2.014552
"86474"	355.088124	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M-H"	-1.007276
"529315"	533.135824	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M-H"	-1.007276
"903837"	177.040424	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-H"	-1.007276
"51649"	372.114671	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M-2H+NH4"	16.019271
"491211"	550.162371	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M-2H+NH4"	16.019271
"867920"	194.066971	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-2H+NH4"	16.019271
"38014"	377.070066	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M-2H+Na"	20.974666
"481950"	555.117766	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M-2H+Na"	20.974666
"855378"	199.022366	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-2H+Na"	20.974666
"1626005"	199.022366	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Na-2H"	20.974666
"102172"	195.028763	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M-H+Cl"	33.962126
"542097"	284.052613	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M-H+Cl"	33.962126
"931964"	106.004913	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-H+Cl"	33.962126
"275262"	391.064802	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+Cl"	34.969402
"666225"	569.112502	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+Cl"	34.969402
"1278995"	213.017102	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Cl"	34.969402
"21915"	393.044006	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M-2H+K"	36.948606
"460380"	571.091706	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M-2H+K"	36.948606
"840006"	214.996306	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-2H+K"	36.948606
"1559847"	214.996306	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+K-2H"	36.948606
"944449"	223.045894	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-H+HCOOH"	44.998194
"361813"	401.093601	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+HCOOH-H"	44.998201
"355666"	415.109251	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+Hac-H"	59.013851
"1501216"	237.061551	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Hac-H"	59.013851
"960736"	245.027851	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-H+NaCOOH"	66.980151
"120583"	213.017102	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+2Cl"	69.938804
"560510"	302.040952	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+2Cl"	69.938804
"1032952"	123.993252	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2Cl"	69.938804
"1245968"	256.966585	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Br"	78.918885
"1306959"	259.022572	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Cl+HCOOH"	80.974872
"1327738"	281.004529	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Cl+NaCOOH"	102.956829
"915519"	291.033286	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M-H+CF3COOH"	112.985586
"1294416"	327.009964	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Cl+CF3COOH"	148.962264
"1379138"	143.035024	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H-2H2O"	-35.012676
"1394446"	161.045	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H-H2O"	-17.0027
"297054"	357.102676	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+H"	1.007276
"690212"	535.150376	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+H"	1.007276
"1364009"	179.054976	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H"	1.007276
"135804"	179.054976	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+2H"	2.014552
"573182"	268.078826	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+2H"	2.014552
"1044167"	90.031126	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2H"	2.014552
"209882"	119.705742666667	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+3H"	3.021828
"650535"	179.054976	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+3H"	3.021828
"1166473"	60.3565093333333	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+3H"	3.021828
"426465"	374.129223	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+NH4"	18.033823
"787457"	552.176923	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+NH4"	18.033823
"1683788"	196.081523	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+NH4"	18.033823
"333163"	187.5682495	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+H+NH4"	19.041099
"727403"	276.5920995	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+H+NH4"	19.041099
"1487056"	98.5443995	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H+NH4"	19.041099
"401363"	379.084618	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+Na"	22.989218
"765638"	557.132318	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+Na"	22.989218
"1613738"	201.036918	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Na"	22.989218
"323775"	190.045947	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+H+Na"	23.996494
"718382"	279.069797	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+H+Na"	23.996494
"1472201"	101.022097	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H+Na"	23.996494
"1056702"	67.6838233333333	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2H+Na"	25.00377
"1259474"	211.081186	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+CH3OH+H"	33.033486
"380238"	395.058558	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+K"	38.963158
"743420"	573.106258	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+K"	38.963158
"1544379"	217.010858	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+K"	38.963158
"300463"	198.032917	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+H+K"	39.970434
"696166"	287.056767	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+H+K"	39.970434
"1454361"	109.009067	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H+K"	39.970434
"239684"	398.129226	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+ACN+H"	42.033826
"1220411"	220.081526	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+ACN+H"	42.033826
"1204294"	110.544401	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+ACN+2H"	43.041102
"198259"	401.06656	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+2Na-H"	44.97116
"639642"	579.11426	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+2Na-H"	44.97116
"1144242"	223.01886	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2Na-H"	44.97116
"184983"	201.036918	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+2Na"	45.978436
"626366"	290.060768	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+2Na"	45.978436
"1130847"	112.013068	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2Na"	45.978436
"1411570"	75.0111373333333	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H+2Na"	46.985712
"1440405"	225.060446	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H+HCOOH"	47.012746
"226093"	206.06994	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+3H2O+2H"	56.04448
"1515249"	239.11249	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+IsoProp+H"	61.06479
"422964"	209.023888	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+Na+K"	61.952376
"783960"	298.047738	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+Na+K"	61.952376
"1678830"	120.000038	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Na+K"	61.952376
"266444"	420.111168	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+ACN+Na"	64.015768
"1238060"	242.063468	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+ACN+Na"	64.015768
"1718195"	242.086993	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+NH4+HCOOH"	64.039293
"1186831"	82.3384513333333	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+3Na"	68.967654
"1656723"	247.042388	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Na+HCOOH"	68.994688
"164677"	433.01444	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+2K-H"	76.91904
"604238"	611.06214	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+2K-H"	76.91904
"1095312"	254.96674	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2K-H"	76.91904
"151034"	217.010858	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"2M+2K"	77.926316
"590595"	306.034708	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"3M+2K"	77.926316
"1078391"	127.987008	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2K"	77.926316
"1109414"	256.981292	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2K+H"	78.933592
"1345799"	257.068907	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+DMSO+H"	79.021207
"1009953"	261.108076	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2ACN+H"	83.060376
"1532453"	262.101708	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+IsoProp+Na+H"	84.054008
"997806"	131.057676	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+2ACN+2H"	84.067652
"1599963"	263.016328	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+K+HCOOH"	84.968628
"1428905"	293.047838	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+H+CF3COOH"	115.000138
"1159194"	151.570951	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+3ACN+2H"	125.094202
"1708747"	310.074385	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+NH4+CF3COOH"	132.026685
"1637837"	315.02978	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+Na+CF3COOH"	136.98208
"1572393"	331.00372	"C20903"	"36-Anhydro-L-galactonate"	"C6H10O6"	"178.0477"	"M+K+CF3COOH"	152.95602
"813698"	87.032	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M"	0
"982856"	68.01361	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-H2O-H"	-19.01839
"77661"	57.0140573333333	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M-3H"	-3.021828
"516133"	86.024724	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M-3H"	-3.021828
"890659"	28.0033906666667	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-3H"	-3.021828
"7046"	86.024724	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M-2H"	-2.014552
"452804"	129.540724	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M-2H"	-2.014552
"826595"	42.508724	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-2H"	-2.014552
"88772"	173.056724	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M-H"	-1.007276
"526147"	260.088724	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M-H"	-1.007276
"906134"	86.024724	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-H"	-1.007276
"57228"	190.083271	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M-2H+NH4"	16.019271
"497884"	277.115271	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M-2H+NH4"	16.019271
"875685"	103.051271	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-2H+NH4"	16.019271
"34838"	195.038666	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M-2H+Na"	20.974666
"485584"	282.070666	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M-2H+Na"	20.974666
"859500"	108.006666	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-2H+Na"	20.974666
"1626118"	108.006666	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Na-2H"	20.974666
"108116"	104.013063	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M-H+Cl"	33.962126
"543302"	147.529063	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M-H+Cl"	33.962126
"936816"	60.497063	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-H+Cl"	33.962126
"276469"	209.033402	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+Cl"	34.969402
"667068"	296.065402	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+Cl"	34.969402
"1281293"	122.001402	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Cl"	34.969402
"23850"	211.012606	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M-2H+K"	36.948606
"463408"	298.044606	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M-2H+K"	36.948606
"841211"	123.980606	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-2H+K"	36.948606
"1562514"	123.980606	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+K-2H"	36.948606
"951490"	132.030194	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-H+HCOOH"	44.998194
"367517"	219.062201	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+HCOOH-H"	44.998201
"355777"	233.077851	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+Hac-H"	59.013851
"1503153"	146.045851	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Hac-H"	59.013851
"969235"	154.012151	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-H+NaCOOH"	66.980151
"121790"	122.001402	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+2Cl"	69.938804
"560621"	165.517402	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+2Cl"	69.938804
"1030514"	78.485402	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2Cl"	69.938804
"1250090"	165.950885	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Br"	78.918885
"1307434"	168.006872	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Cl+HCOOH"	80.974872
"1325296"	189.988829	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Cl+NaCOOH"	102.956829
"916722"	200.017586	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M-H+CF3COOH"	112.985586
"1291974"	235.994264	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Cl+CF3COOH"	148.962264
"1378155"	52.019324	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H-2H2O"	-35.012676
"1395650"	70.0293	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H-H2O"	-17.0027
"295334"	175.071276	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+H"	1.007276
"691358"	262.103276	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+H"	1.007276
"1358654"	88.039276	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H"	1.007276
"133730"	88.039276	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+2H"	2.014552
"574385"	131.555276	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+2H"	2.014552
"1046466"	44.523276	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2H"	2.014552
"211087"	59.0286093333333	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+3H"	3.021828
"648460"	88.039276	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+3H"	3.021828
"1165125"	30.0179426666667	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+3H"	3.021828
"426939"	192.097823	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+NH4"	18.033823
"787202"	279.129823	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+NH4"	18.033823
"1683170"	105.065823	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+NH4"	18.033823
"334366"	96.5525495	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+H+NH4"	19.041099
"726786"	140.0685495	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+H+NH4"	19.041099
"1487167"	53.0365495	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H+NH4"	19.041099
"402568"	197.053218	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+Na"	22.989218
"764655"	284.085218	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+Na"	22.989218
"1612754"	110.021218	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Na"	22.989218
"321697"	99.030247	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+H+Na"	23.996494
"716307"	142.546247	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+H+Na"	23.996494
"1475592"	55.514247	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H+Na"	23.996494
"1057907"	37.3452566666667	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2H+Na"	25.00377
"1259583"	120.065486	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+CH3OH+H"	33.033486
"380347"	213.027158	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+K"	38.963158
"739278"	300.059158	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+K"	38.963158
"1546677"	125.995158	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+K"	38.963158
"306042"	107.017217	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+H+K"	39.970434
"700651"	150.533217	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+H+K"	39.970434
"1453379"	63.501217	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H+K"	39.970434
"245992"	216.097826	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+ACN+H"	42.033826
"1221252"	129.065826	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+ACN+H"	42.033826
"1208783"	65.036551	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+ACN+2H"	43.041102
"202746"	219.03516	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+2Na-H"	44.97116
"642305"	306.06716	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+2Na-H"	44.97116
"1145937"	132.00316	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2Na-H"	44.97116
"187891"	110.021218	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+2Na"	45.978436
"627571"	153.537218	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+2Na"	45.978436
"1130713"	66.505218	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2Na"	45.978436
"1405488"	44.6725706666667	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H+2Na"	46.985712
"1436511"	134.044746	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H+HCOOH"	47.012746
"230579"	115.05424	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+3H2O+2H"	56.04448
"1523949"	148.09679	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+IsoProp+H"	61.06479
"422713"	118.008188	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+Na+K"	61.952376
"784798"	161.524188	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+Na+K"	61.952376
"1679311"	74.492188	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Na+K"	61.952376
"266195"	238.079768	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+ACN+Na"	64.015768
"1239634"	151.047768	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+ACN+Na"	64.015768
"1722683"	151.071293	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+NH4+HCOOH"	64.039293
"1190590"	51.9998846666667	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+3Na"	68.967654
"1664124"	156.026688	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Na+HCOOH"	68.994688
"170255"	250.98304	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+2K-H"	76.91904
"607628"	338.01504	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+2K-H"	76.91904
"1095423"	163.95104	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2K-H"	76.91904
"155643"	125.995158	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"2M+2K"	77.926316
"593263"	169.511158	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"3M+2K"	77.926316
"1081057"	82.479158	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2K"	77.926316
"1109528"	165.965592	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2K+H"	78.933592
"1348096"	166.053207	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+DMSO+H"	79.021207
"1019786"	170.092376	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2ACN+H"	83.060376
"1538760"	171.086008	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+IsoProp+Na+H"	84.054008
"1003753"	85.549826	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+2ACN+2H"	84.067652
"1600445"	172.000628	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+K+HCOOH"	84.968628
"1429019"	202.032138	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+H+CF3COOH"	115.000138
"1162425"	106.063101	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+3ACN+2H"	125.094202
"1711044"	219.058685	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+NH4+CF3COOH"	132.026685
"1643414"	224.01408	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+Na+CF3COOH"	136.98208
"1572505"	239.98802	"C20904"	"2-Iminopropanoate"	"C3H5NO2"	"87.032"	"M+K+CF3COOH"	152.95602
"801899"	101.0477	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M"	0
"984059"	82.02931	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-H2O-H"	-19.01839
"72304"	66.3578573333333	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M-3H"	-3.021828
"511863"	100.040424	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M-3H"	-3.021828
"889670"	32.6752906666667	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-3H"	-3.021828
"10436"	100.040424	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M-2H"	-2.014552
"452184"	150.564274	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M-2H"	-2.014552
"830716"	49.516574	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-2H"	-2.014552
"88882"	201.088124	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M-H"	-1.007276
"529537"	302.135824	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M-H"	-1.007276
"906245"	100.040424	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-H"	-1.007276
"57338"	218.114671	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M-2H+NH4"	16.019271
"499087"	319.162371	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M-2H+NH4"	16.019271
"876525"	117.066971	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-2H+NH4"	16.019271
"38228"	223.070066	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M-2H+Na"	20.974666
"486179"	324.117766	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M-2H+Na"	20.974666
"862162"	122.022366	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-2H+Na"	20.974666
"1629508"	122.022366	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Na-2H"	20.974666
"106037"	118.028763	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M-H+Cl"	33.962126
"545599"	168.552613	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M-H+Cl"	33.962126
"936926"	67.504913	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-H+Cl"	33.962126
"279859"	237.064802	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+Cl"	34.969402
"672281"	338.112502	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+Cl"	34.969402
"1282496"	136.017102	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Cl"	34.969402
"26147"	239.044006	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M-2H+K"	36.948606
"465705"	340.091706	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M-2H+K"	36.948606
"841321"	137.996306	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-2H+K"	36.948606
"1564811"	137.996306	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+K-2H"	36.948606
"954516"	146.045894	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-H+HCOOH"	44.998194
"369814"	247.093601	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+HCOOH-H"	44.998201
"356615"	261.109251	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+Hac-H"	59.013851
"1503992"	160.061551	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Hac-H"	59.013851
"970074"	168.027851	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-H+NaCOOH"	66.980151
"124207"	136.017102	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+2Cl"	69.938804
"559638"	186.540952	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+2Cl"	69.938804
"1031718"	85.493252	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2Cl"	69.938804
"1249108"	179.966585	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Br"	78.918885
"1307546"	182.022572	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Cl+HCOOH"	80.974872
"1326864"	204.004529	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Cl+NaCOOH"	102.956829
"916832"	214.033286	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M-H+CF3COOH"	112.985586
"1295729"	250.009964	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Cl+CF3COOH"	148.962264
"1379358"	66.035024	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H-2H2O"	-35.012676
"1394666"	84.045	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H-H2O"	-17.0027
"295444"	203.102676	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+H"	1.007276
"691153"	304.150376	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+H"	1.007276
"1358764"	102.054976	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H"	1.007276
"126063"	102.054976	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+2H"	2.014552
"569027"	152.578826	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+2H"	2.014552
"1043296"	51.531126	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2H"	2.014552
"207918"	68.3724093333333	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+3H"	3.021828
"647841"	102.054976	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+3H"	3.021828
"1165963"	34.6898426666667	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+3H"	3.021828
"426318"	220.129223	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+NH4"	18.033823
"787678"	321.176923	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+NH4"	18.033823
"1684374"	119.081523	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+NH4"	18.033823
"334111"	110.5682495	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+H+NH4"	19.041099
"726530"	161.0920995	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+H+NH4"	19.041099
"1486186"	60.0443995	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H+NH4"	19.041099
"399398"	225.084618	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+Na"	22.989218
"764765"	326.132318	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+Na"	22.989218
"1610679"	124.036918	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Na"	22.989218
"325090"	113.045947	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+H+Na"	23.996494
"715327"	163.569797	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+H+Na"	23.996494
"1474247"	62.522097	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H+Na"	23.996494
"1056922"	42.0171566666667	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2H+Na"	25.00377
"1260786"	134.081186	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+CH3OH+H"	33.033486
"379364"	241.058558	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+K"	38.963158
"739386"	342.106258	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+K"	38.963158
"1553713"	140.010858	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+K"	38.963158
"308341"	121.032917	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+H+K"	39.970434
"698575"	171.556767	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+H+K"	39.970434
"1458956"	70.509067	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H+K"	39.970434
"247924"	244.129226	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+ACN+H"	42.033826
"1223548"	143.081526	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+ACN+H"	42.033826
"1207430"	72.044401	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+ACN+2H"	43.041102
"203220"	247.06656	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+2Na-H"	44.97116
"641684"	348.11426	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+2Na-H"	44.97116
"1146208"	146.01886	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2Na-H"	44.97116
"188004"	124.036918	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+2Na"	45.978436
"628291"	174.560768	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+2Na"	45.978436
"1131113"	73.513068	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2Na"	45.978436
"1407785"	49.3444706666667	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H+2Na"	46.985712
"1439901"	148.060446	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H+HCOOH"	47.012746
"227409"	129.06994	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+3H2O+2H"	56.04448
"1523493"	162.11249	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+IsoProp+H"	61.06479
"423552"	132.023888	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+Na+K"	61.952376
"785152"	182.547738	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+Na+K"	61.952376
"1680151"	81.500038	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Na+K"	61.952376
"265213"	266.111168	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+ACN+Na"	64.015768
"1238285"	165.063468	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+ACN+Na"	64.015768
"1724253"	165.086993	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+NH4+HCOOH"	64.039293
"1187787"	56.6717846666667	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+3Na"	68.967654
"1663505"	170.042388	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Na+HCOOH"	68.994688
"171465"	279.01444	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+2K-H"	76.91904
"609925"	380.06214	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+2K-H"	76.91904
"1097723"	177.96674	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2K-H"	76.91904
"153445"	140.010858	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"2M+2K"	77.926316
"593375"	190.534708	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"3M+2K"	77.926316
"1081895"	89.487008	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2K"	77.926316
"1110368"	179.981292	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2K+H"	78.933592
"1347112"	180.068907	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+DMSO+H"	79.021207
"1018922"	184.108076	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2ACN+H"	83.060376
"1538140"	185.101708	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+IsoProp+Na+H"	84.054008
"1004224"	92.557676	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+2ACN+2H"	84.067652
"1601646"	186.016328	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+K+HCOOH"	84.968628
"1429491"	216.047838	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+H+CF3COOH"	115.000138
"1162762"	113.070951	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+3ACN+2H"	125.094202
"1708967"	233.074385	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+NH4+CF3COOH"	132.026685
"1641337"	238.02978	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+Na+CF3COOH"	136.98208
"1572007"	254.00372	"C20905"	"2-Iminobutanoate"	"C4H7NO2"	"101.0477"	"M+K+CF3COOH"	152.95602
"806265"	323.1594	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M"	0
"981989"	304.14101	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-H2O-H"	-19.01839
"74605"	214.432324	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M-3H"	-3.021828
"515259"	322.152124	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M-3H"	-3.021828
"891970"	106.712524	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-3H"	-3.021828
"13823"	322.152124	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M-2H"	-2.014552
"447919"	483.731824	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M-2H"	-2.014552
"827905"	160.572424	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-2H"	-2.014552
"88991"	645.311524	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M-H"	-1.007276
"521993"	968.470924	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M-H"	-1.007276
"905267"	322.152124	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-H"	-1.007276
"51987"	662.338071	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M-2H+NH4"	16.019271
"499204"	985.497471	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M-2H+NH4"	16.019271
"876643"	339.178671	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-2H+NH4"	16.019271
"44907"	667.293466	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M-2H+Na"	20.974666
"487100"	990.452866	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M-2H+Na"	20.974666
"863853"	344.134066	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-2H+Na"	20.974666
"1632413"	344.134066	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Na-2H"	20.974666
"108335"	340.140463	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M-H+Cl"	33.962126
"546804"	501.720163	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M-H+Cl"	33.962126
"939224"	178.560763	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-H+Cl"	33.962126
"281064"	681.288202	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+Cl"	34.969402
"672390"	1004.447602	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+Cl"	34.969402
"1284792"	358.128802	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Cl"	34.969402
"31276"	683.267406	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M-2H+K"	36.948606
"466912"	1006.426806	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M-2H+K"	36.948606
"848464"	360.108006	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-2H+K"	36.948606
"1567107"	360.108006	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+K-2H"	36.948606
"956084"	368.157594	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-H+HCOOH"	44.998194
"368832"	691.317001	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+HCOOH-H"	44.998201
"361103"	705.332651	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+Hac-H"	59.013851
"1508289"	382.173251	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Hac-H"	59.013851
"974051"	390.139551	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-H+NaCOOH"	66.980151
"125659"	358.128802	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+2Cl"	69.938804
"563757"	519.708502	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+2Cl"	69.938804
"1034378"	196.549102	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2Cl"	69.938804
"1250312"	402.078285	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Br"	78.918885
"1314584"	404.134272	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Cl+HCOOH"	80.974872
"1332081"	426.116229	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Cl+NaCOOH"	102.956829
"915849"	436.144986	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M-H+CF3COOH"	112.985586
"1303747"	472.121664	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Cl+CF3COOH"	148.962264
"1381906"	288.146724	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H-2H2O"	-35.012676
"1396613"	306.1567	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H-H2O"	-17.0027
"292289"	647.326076	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+H"	1.007276
"687627"	970.485476	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+H"	1.007276
"1363611"	324.166676	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H"	1.007276
"136864"	324.166676	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+2H"	2.014552
"572782"	485.746376	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+2H"	2.014552
"1044498"	162.586976	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2H"	2.014552
"210214"	216.446876	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+3H"	3.021828
"649044"	324.166676	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+3H"	3.021828
"1167166"	108.727076	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+3H"	3.021828
"427522"	664.352623	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+NH4"	18.033823
"791071"	987.512023	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+NH4"	18.033823
"1686309"	341.193223	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+NH4"	18.033823
"335681"	332.6799495	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+H+NH4"	19.041099
"731383"	494.2596495	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+H+NH4"	19.041099
"1487389"	171.1002495	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H+NH4"	19.041099
"399508"	669.308018	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+Na"	22.989218
"764877"	992.467418	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+Na"	22.989218
"1608596"	346.148618	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Na"	22.989218
"316453"	335.157647	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+H+Na"	23.996494
"710330"	496.737347	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+H+Na"	23.996494
"1462940"	173.577947	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H+Na"	23.996494
"1055944"	116.05439	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2H+Na"	25.00377
"1266370"	356.192886	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+CH3OH+H"	33.033486
"382758"	685.281958	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+K"	38.963158
"749221"	1008.441358	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+K"	38.963158
"1554193"	362.122558	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+K"	38.963158
"311733"	343.144617	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+H+K"	39.970434
"706427"	504.724317	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+H+K"	39.970434
"1459066"	181.564917	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H+K"	39.970434
"250711"	688.352626	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+ACN+H"	42.033826
"1224393"	365.193226	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+ACN+H"	42.033826
"1209250"	183.100251	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+ACN+2H"	43.041102
"204079"	691.28996	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+2Na-H"	44.97116
"643255"	1014.44936	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+2Na-H"	44.97116
"1144940"	368.13056	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2Na-H"	44.97116
"187624"	346.148618	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+2Na"	45.978436
"624509"	507.728318	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+2Na"	45.978436
"1123277"	184.568918	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2Na"	45.978436
"1405708"	123.381704	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H+2Na"	46.985712
"1441104"	370.172146	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H+HCOOH"	47.012746
"231894"	351.18164	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+3H2O+2H"	56.04448
"1523363"	384.22419	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+IsoProp+H"	61.06479
"423780"	354.135588	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+Na+K"	61.952376
"784290"	515.715288	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+Na+K"	61.952376
"1679526"	192.555888	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Na+K"	61.952376
"261307"	710.334568	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+ACN+Na"	64.015768
"1234015"	387.175168	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+ACN+Na"	64.015768
"1725087"	387.198693	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+NH4+HCOOH"	64.039293
"1191536"	130.709018	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+3Na"	68.967654
"1664710"	392.154088	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Na+HCOOH"	68.994688
"171573"	723.23784	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+2K-H"	76.91904
"612102"	1046.39724	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+2K-H"	76.91904
"1098563"	400.07844	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2K-H"	76.91904
"154649"	362.122558	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"2M+2K"	77.926316
"595307"	523.702258	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"3M+2K"	77.926316
"1083098"	200.542858	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2K"	77.926316
"1113756"	402.092992	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2K+H"	78.933592
"1347592"	402.180607	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+DMSO+H"	79.021207
"1019036"	406.219776	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2ACN+H"	83.060376
"1538984"	407.213408	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+IsoProp+Na+H"	84.054008
"999229"	203.613526	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+2ACN+2H"	84.067652
"1601389"	408.128028	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+K+HCOOH"	84.968628
"1428143"	438.159538	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+H+CF3COOH"	115.000138
"1157338"	224.126801	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+3ACN+2H"	125.094202
"1701424"	455.186085	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+NH4+CF3COOH"	132.026685
"1637075"	460.14148	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+Na+CF3COOH"	136.98208
"1581479"	476.11542	"C20910"	"L-4-Hydroxyphenylglycyl-L-arginine;L-pHPg-L-Arg"	"C14H21N5O4"	"323.1594"	"M+K+CF3COOH"	152.95602
"802002"	275.0641	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M"	0
"982099"	256.04571	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-H2O-H"	-19.01839
"74715"	182.368790666667	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M-3H"	-3.021828
"515369"	274.056824	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M-3H"	-3.021828
"893174"	90.6807573333333	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-3H"	-3.021828
"12840"	274.056824	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M-2H"	-2.014552
"450216"	411.588874	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M-2H"	-2.014552
"824736"	136.524774	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-2H"	-2.014552
"85820"	549.120924	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M-H"	-1.007276
"520281"	824.185024	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M-H"	-1.007276
"903191"	274.056824	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-H"	-1.007276
"53190"	566.147471	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M-2H+NH4"	16.019271
"499314"	841.211571	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M-2H+NH4"	16.019271
"879064"	291.083371	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-2H+NH4"	16.019271
"44289"	571.102866	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M-2H+Na"	20.974666
"486969"	846.166966	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M-2H+Na"	20.974666
"864084"	296.038766	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-2H+Na"	20.974666
"1633617"	296.038766	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Na-2H"	20.974666
"109417"	292.045163	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M-H+Cl"	33.962126
"549466"	429.577213	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M-H+Cl"	33.962126
"939334"	154.513113	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-H+Cl"	33.962126
"279713"	585.097602	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+Cl"	34.969402
"672500"	860.161702	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+Cl"	34.969402
"1285995"	310.033502	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Cl"	34.969402
"31278"	587.076806	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M-2H+K"	36.948606
"466658"	862.140906	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M-2H+K"	36.948606
"848370"	312.012706	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-2H+K"	36.948606
"1571223"	312.012706	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+K-2H"	36.948606
"958140"	320.062294	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-H+HCOOH"	44.998194
"368939"	595.126401	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+HCOOH-H"	44.998201
"361181"	609.142051	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+Hac-H"	59.013851
"1508413"	334.077951	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Hac-H"	59.013851
"973091"	342.044251	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-H+NaCOOH"	66.980151
"125037"	310.033502	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+2Cl"	69.938804
"564719"	447.565552	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+2Cl"	69.938804
"1033394"	172.501452	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2Cl"	69.938804
"1254432"	353.982985	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Br"	78.918885
"1317243"	356.038972	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Cl+HCOOH"	80.974872
"1331460"	378.020929	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Cl+NaCOOH"	102.956829
"923248"	388.049686	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M-H+CF3COOH"	112.985586
"1295947"	424.026364	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Cl+CF3COOH"	148.962264
"1382222"	240.051424	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H-2H2O"	-35.012676
"1395265"	258.0614	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H-H2O"	-17.0027
"294585"	551.135476	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+H"	1.007276
"686644"	826.199576	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+H"	1.007276
"1363721"	276.071376	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H"	1.007276
"136246"	276.071376	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+2H"	2.014552
"572528"	413.603426	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+2H"	2.014552
"1044609"	138.539326	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2H"	2.014552
"206679"	184.383342666667	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+3H"	3.021828
"647331"	276.071376	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+3H"	3.021828
"1165453"	92.6953093333333	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+3H"	3.021828
"425809"	568.162023	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+NH4"	18.033823
"790815"	843.226123	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+NH4"	18.033823
"1684959"	293.097923	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+NH4"	18.033823
"334696"	284.5846495	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+H+NH4"	19.041099
"728210"	422.1166995	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+H+NH4"	19.041099
"1484219"	147.0525995	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H+NH4"	19.041099
"399620"	573.117418	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+Na"	22.989218
"763894"	848.181518	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+Na"	22.989218
"1606885"	298.053318	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Na"	22.989218
"317659"	287.062347	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+H+Na"	23.996494
"710080"	424.594397	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+H+Na"	23.996494
"1462931"	149.530297	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H+Na"	23.996494
"1058243"	100.022623333333	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2H+Na"	25.00377
"1266481"	308.097586	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+CH3OH+H"	33.033486
"383963"	589.091358	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+K"	38.963158
"752250"	864.155458	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+K"	38.963158
"1553212"	314.027258	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+K"	38.963158
"314114"	295.049317	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+H+K"	39.970434
"706455"	432.581367	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+H+K"	39.970434
"1460637"	157.517267	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H+K"	39.970434
"251065"	592.162026	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+ACN+H"	42.033826
"1224867"	317.097926	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+ACN+H"	42.033826
"1209811"	159.052601	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+ACN+2H"	43.041102
"204213"	595.09936	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+2Na-H"	44.97116
"643368"	870.16346	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+2Na-H"	44.97116
"1144686"	320.03526	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2Na-H"	44.97116
"187127"	298.053318	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+2Na"	45.978436
"624254"	435.585368	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+2Na"	45.978436
"1126667"	160.521268	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2Na"	45.978436
"1412868"	107.349937333333	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H+2Na"	46.985712
"1441214"	322.076846	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H+HCOOH"	47.012746
"230911"	303.08634	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+3H2O+2H"	56.04448
"1523925"	336.12889	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+IsoProp+H"	61.06479
"423281"	306.040288	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+Na+K"	61.952376
"785217"	443.572338	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+Na+K"	61.952376
"1680856"	168.508238	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Na+K"	61.952376
"263605"	614.143968	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+ACN+Na"	64.015768
"1234126"	339.079868	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+ACN+Na"	64.015768
"1725198"	339.103393	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+NH4+HCOOH"	64.039293
"1191648"	114.677251333333	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+3Na"	68.967654
"1661541"	344.058788	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Na+HCOOH"	68.994688
"168771"	627.04724	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+2K-H"	76.91904
"610887"	902.11134	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+2K-H"	76.91904
"1094663"	351.98314	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2K-H"	76.91904
"154034"	314.027258	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"2M+2K"	77.926316
"594324"	451.559308	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"3M+2K"	77.926316
"1081388"	176.495208	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2K"	77.926316
"1113139"	353.997692	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2K+H"	78.933592
"1348796"	354.085307	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+DMSO+H"	79.021207
"1018417"	358.124476	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2ACN+H"	83.060376
"1536177"	359.118108	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+IsoProp+Na+H"	84.054008
"1000433"	179.565876	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+2ACN+2H"	84.067652
"1600406"	360.032728	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+K+HCOOH"	84.968628
"1428253"	390.064238	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+H+CF3COOH"	115.000138
"1160728"	200.079151	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+3ACN+2H"	125.094202
"1701533"	407.090785	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+NH4+CF3COOH"	132.026685
"1636091"	412.04618	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+Na+CF3COOH"	136.98208
"1581589"	428.02012	"C20911"	"C20911;Tabtoxin biosynthesis intermediate 1"	"C10H13NO8"	"275.0641"	"M+K+CF3COOH"	152.95602
"810860"	276.0958	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M"	0
"987677"	257.07741	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-H2O-H"	-19.01839
"74825"	183.056590666667	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M-3H"	-3.021828
"517665"	275.088524	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M-3H"	-3.021828
"893650"	91.0246573333333	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-3H"	-3.021828
"13681"	275.088524	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M-2H"	-2.014552
"450326"	413.136424	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M-2H"	-2.014552
"828127"	137.040624	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-2H"	-2.014552
"87024"	551.184324	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M-H"	-1.007276
"527680"	827.280124	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M-H"	-1.007276
"903294"	275.088524	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-H"	-1.007276
"55486"	568.210871	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M-2H+NH4"	16.019271
"496141"	844.306671	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M-2H+NH4"	16.019271
"873945"	292.115071	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-2H+NH4"	16.019271
"45373"	573.166266	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M-2H+Na"	20.974666
"486518"	849.262066	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M-2H+Na"	20.974666
"862861"	297.070466	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-2H+Na"	20.974666
"1632756"	297.070466	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Na-2H"	20.974666
"108801"	293.076863	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M-H+Cl"	33.962126
"547024"	431.124763	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M-H+Cl"	33.962126
"933247"	155.028963	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-H+Cl"	33.962126
"273626"	587.161002	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+Cl"	34.969402
"666048"	863.256802	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+Cl"	34.969402
"1287201"	311.065202	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Cl"	34.969402
"29150"	589.140206	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M-2H+K"	36.948606
"463850"	865.236006	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M-2H+K"	36.948606
"845663"	313.044406	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-2H+K"	36.948606
"1567327"	313.044406	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+K-2H"	36.948606
"954846"	321.093994	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-H+HCOOH"	44.998194
"373791"	597.189801	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+HCOOH-H"	44.998201
"356212"	611.205451	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+Hac-H"	59.013851
"1503951"	335.109651	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Hac-H"	59.013851
"970400"	343.075951	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-H+NaCOOH"	66.980151
"120404"	311.065202	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+2Cl"	69.938804
"561421"	449.113102	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+2Cl"	69.938804
"1033504"	173.017302	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2Cl"	69.938804
"1251621"	355.014685	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Br"	78.918885
"1312975"	357.070672	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Cl+HCOOH"	80.974872
"1330474"	379.052629	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Cl+NaCOOH"	102.956829
"919345"	389.081386	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M-H+CF3COOH"	112.985586
"1290584"	425.058064	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Cl+CF3COOH"	148.962264
"1381880"	241.083124	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H-2H2O"	-35.012676
"1397077"	259.0931	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H-H2O"	-17.0027
"294695"	553.198876	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+H"	1.007276
"686024"	829.294676	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+H"	1.007276
"1362372"	277.103076	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H"	1.007276
"139635"	277.103076	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+2H"	2.014552
"575918"	415.150976	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+2H"	2.014552
"1045812"	139.055176	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2H"	2.014552
"205815"	185.071142666667	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+3H"	3.021828
"647078"	277.103076	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+3H"	3.021828
"1164105"	93.0392093333333	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+3H"	3.021828
"429563"	570.225423	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+NH4"	18.033823
"790562"	846.321223	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+NH4"	18.033823
"1684344"	294.129623	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+NH4"	18.033823
"334077"	285.6163495	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+H+NH4"	19.041099
"729415"	423.6642495	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+H+NH4"	19.041099
"1485424"	147.5684495	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H+NH4"	19.041099
"406289"	575.180818	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+Na"	22.989218
"764003"	851.276618	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+Na"	22.989218
"1607727"	299.085018	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Na"	22.989218
"315704"	288.094047	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+H+Na"	23.996494
"709097"	426.141947	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+H+Na"	23.996494
"1462068"	150.046147	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H+Na"	23.996494
"1057260"	100.366523333333	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2H+Na"	25.00377
"1262218"	309.129286	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+CH3OH+H"	33.033486
"381886"	591.154758	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+K"	38.963158
"743977"	867.250558	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+K"	38.963158
"1548218"	315.058958	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+K"	38.963158
"309768"	296.081017	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+H+K"	39.970434
"703282"	434.128917	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+H+K"	39.970434
"1460870"	158.033117	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H+K"	39.970434
"250081"	594.225426	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+ACN+H"	42.033826
"1224614"	318.129626	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+ACN+H"	42.033826
"1209312"	159.568451	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+ACN+2H"	43.041102
"204047"	597.16276	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+2Na-H"	44.97116
"643479"	873.25856	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+2Na-H"	44.97116
"1143945"	321.06696	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2Na-H"	44.97116
"187115"	299.085018	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+2Na"	45.978436
"625093"	437.132918	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+2Na"	45.978436
"1125684"	161.037118	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2Na"	45.978436
"1413223"	107.693837333333	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H+2Na"	46.985712
"1441324"	323.108546	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H+HCOOH"	47.012746
"229928"	304.11804	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+3H2O+2H"	56.04448
"1523223"	337.16059	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+IsoProp+H"	61.06479
"422662"	307.071988	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+Na+K"	61.952376
"784877"	445.119888	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+Na+K"	61.952376
"1680116"	169.024088	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Na+K"	61.952376
"263715"	616.207368	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+ACN+Na"	64.015768
"1237151"	340.111568	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+ACN+Na"	64.015768
"1724218"	340.135093	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+NH4+HCOOH"	64.039293
"1192126"	115.021151333333	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+3Na"	68.967654
"1660561"	345.090488	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Na+HCOOH"	68.994688
"168517"	629.11064	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+2K-H"	76.91904
"609173"	905.20644	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+2K-H"	76.91904
"1095870"	353.01484	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2K-H"	76.91904
"153417"	315.058958	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"2M+2K"	77.926316
"594438"	453.106858	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"3M+2K"	77.926316
"1082835"	177.011058	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2K"	77.926316
"1112155"	355.029392	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2K+H"	78.933592
"1350731"	355.117007	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+DMSO+H"	79.021207
"1019623"	359.156176	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2ACN+H"	83.060376
"1536654"	360.149808	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+IsoProp+Na+H"	84.054008
"1002735"	180.081726	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+2ACN+2H"	84.067652
"1601615"	361.064428	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+K+HCOOH"	84.968628
"1429093"	391.095938	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+H+CF3COOH"	115.000138
"1162543"	200.595001	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+3ACN+2H"	125.094202
"1701643"	408.122485	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+NH4+CF3COOH"	132.026685
"1636201"	413.07788	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+Na+CF3COOH"	136.98208
"1581699"	429.05182	"C20912"	"C20912;Tabtoxin biosynthesis intermediate 2"	"C10H16N2O7"	"276.0958"	"M+K+CF3COOH"	152.95602
"805502"	234.0852	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M"	0
"986694"	215.06681	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-H2O-H"	-19.01839
"74571"	155.049524	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M-3H"	-3.021828
"515588"	233.077924	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M-3H"	-3.021828
"895447"	77.021124	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-3H"	-3.021828
"15634"	233.077924	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M-2H"	-2.014552
"450436"	350.120524	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M-2H"	-2.014552
"823864"	116.035324	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-2H"	-2.014552
"86041"	467.163124	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M-H"	-1.007276
"525603"	701.248324	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M-H"	-1.007276
"902309"	233.077924	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-H"	-1.007276
"57783"	484.189671	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M-2H+NH4"	16.019271
"495158"	718.274871	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M-2H+NH4"	16.019271
"874055"	250.104471	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-2H+NH4"	16.019271
"44144"	489.145066	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M-2H+Na"	20.974666
"486061"	723.230266	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M-2H+Na"	20.974666
"862236"	255.059866	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-2H+Na"	20.974666
"1633233"	255.059866	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Na-2H"	20.974666
"109277"	251.066263	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M-H+Cl"	33.962126
"547134"	368.108863	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M-H+Cl"	33.962126
"934087"	134.023663	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-H+Cl"	33.962126
"271914"	503.139802	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+Cl"	34.969402
"667252"	737.225002	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+Cl"	34.969402
"1285123"	269.054602	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Cl"	34.969402
"26587"	505.119006	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M-2H+K"	36.948606
"467241"	739.204206	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M-2H+K"	36.948606
"846137"	271.033806	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-2H+K"	36.948606
"1565251"	271.033806	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+K-2H"	36.948606
"954227"	279.083394	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-H+HCOOH"	44.998194
"372441"	513.168601	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+HCOOH-H"	44.998201
"351949"	527.184251	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+Hac-H"	59.013851
"1501875"	293.099051	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Hac-H"	59.013851
"969417"	301.065351	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-H+NaCOOH"	66.980151
"121242"	269.054602	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+2Cl"	69.938804
"561166"	386.097202	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+2Cl"	69.938804
"1034709"	152.012002	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2Cl"	69.938804
"1250638"	313.004085	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Br"	78.918885
"1311992"	315.060072	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Cl+HCOOH"	80.974872
"1330584"	337.042029	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Cl+NaCOOH"	102.956829
"919455"	347.070786	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M-H+CF3COOH"	112.985586
"1291060"	383.047464	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Cl+CF3COOH"	148.962264
"1376513"	199.072524	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H-2H2O"	-35.012676
"1392919"	217.0825	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H-H2O"	-17.0027
"298199"	469.177676	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+H"	1.007276
"690511"	703.262876	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+H"	1.007276
"1366736"	235.092476	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H"	1.007276
"139020"	235.092476	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+2H"	2.014552
"573841"	352.135076	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+2H"	2.014552
"1047014"	118.049876	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2H"	2.014552
"209452"	157.064076	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+3H"	3.021828
"648281"	235.092476	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+3H"	3.021828
"1164943"	79.035676	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+3H"	3.021828
"430402"	486.204223	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+NH4"	18.033823
"791765"	720.289423	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+NH4"	18.033823
"1688095"	252.119023	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+NH4"	18.033823
"334550"	243.6057495	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+H+NH4"	19.041099
"731710"	360.6483495	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+H+NH4"	19.041099
"1486628"	126.5631495	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H+NH4"	19.041099
"406035"	491.159618	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+Na"	22.989218
"765207"	725.244818	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+Na"	22.989218
"1605652"	257.074418	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Na"	22.989218
"315692"	246.083447	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+H+Na"	23.996494
"709207"	363.126047	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+H+Na"	23.996494
"1464123"	129.040847	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H+Na"	23.996494
"1053843"	86.36299	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2H+Na"	25.00377
"1259044"	267.118686	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+CH3OH+H"	33.033486
"384184"	507.133558	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+K"	38.963158
"745180"	741.218758	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+K"	38.963158
"1542861"	273.048358	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+K"	38.963158
"300401"	254.070417	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+H+K"	39.970434
"701204"	371.113017	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+H+K"	39.970434
"1457212"	137.027817	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H+K"	39.970434
"246909"	510.204226	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+ACN+H"	42.033826
"1223629"	276.119026	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+ACN+H"	42.033826
"1208979"	138.563151	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+ACN+2H"	43.041102
"203308"	513.14156	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+2Na-H"	44.97116
"642126"	747.22676	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+2Na-H"	44.97116
"1145757"	279.05636	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2Na-H"	44.97116
"187718"	257.074418	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+2Na"	45.978436
"628007"	374.117018	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+2Na"	45.978436
"1122514"	140.031818	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2Na"	45.978436
"1412600"	93.690304	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H+2Na"	46.985712
"1441434"	281.097946	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H+HCOOH"	47.012746
"232225"	262.10744	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+3H2O+2H"	56.04448
"1523946"	295.14999	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+IsoProp+H"	61.06479
"423754"	265.061388	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+Na+K"	61.952376
"784869"	382.103988	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+Na+K"	61.952376
"1680351"	148.018788	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Na+K"	61.952376
"263826"	532.186168	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+ACN+Na"	64.015768
"1237625"	298.100968	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+ACN+Na"	64.015768
"1727246"	298.124493	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+NH4+HCOOH"	64.039293
"1190775"	101.017618	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+3Na"	68.967654
"1660306"	303.079888	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Na+HCOOH"	68.994688
"168990"	545.08944	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+2K-H"	76.91904
"607824"	779.17464	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+2K-H"	76.91904
"1094521"	311.00424	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2K-H"	76.91904
"153528"	273.048358	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"2M+2K"	77.926316
"595640"	390.090958	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"3M+2K"	77.926316
"1083066"	156.005758	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2K"	77.926316
"1114453"	313.018792	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2K+H"	78.933592
"1350479"	313.106407	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+DMSO+H"	79.021207
"1019733"	317.145576	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2ACN+H"	83.060376
"1537857"	318.139208	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+IsoProp+Na+H"	84.054008
"1002843"	159.076426	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+2ACN+2H"	84.067652
"1601361"	319.053828	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+K+HCOOH"	84.968628
"1428473"	349.085338	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+H+CF3COOH"	115.000138
"1162530"	179.589701	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+3ACN+2H"	125.094202
"1700660"	366.111885	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+NH4+CF3COOH"	132.026685
"1638497"	371.06728	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+Na+CF3COOH"	136.98208
"1581809"	387.04122	"C20913"	"C20913;Tabtoxin biosynthesis intermediate 3"	"C8H14N2O6"	"234.0852"	"M+K+CF3COOH"	152.95602
"803425"	190.0954	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M"	0
"987533"	171.07701	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-H2O-H"	-19.01839
"75045"	125.722990666667	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M-3H"	-3.021828
"515698"	189.088124	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M-3H"	-3.021828
"893139"	62.3578573333333	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-3H"	-3.021828
"15079"	189.088124	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M-2H"	-2.014552
"450909"	284.135824	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M-2H"	-2.014552
"825067"	94.040424	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-2H"	-2.014552
"85058"	379.183524	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M-H"	-1.007276
"526804"	569.278924	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M-H"	-1.007276
"902419"	189.088124	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-H"	-1.007276
"57893"	396.210071	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M-2H+NH4"	16.019271
"494173"	586.305471	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M-2H+NH4"	16.019271
"874164"	206.114671	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-2H+NH4"	16.019271
"38786"	401.165466	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M-2H+Na"	20.974666
"485760"	591.260866	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M-2H+Na"	20.974666
"862710"	211.070066	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-2H+Na"	20.974666
"1632125"	211.070066	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Na-2H"	20.974666
"109263"	207.076463	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M-H+Cl"	33.962126
"546151"	302.124163	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M-H+Cl"	33.962126
"936383"	112.028763	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-H+Cl"	33.962126
"271660"	415.160202	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+Cl"	34.969402
"666269"	605.255602	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+Cl"	34.969402
"1284140"	225.064802	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Cl"	34.969402
"27790"	417.139406	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M-2H+K"	36.948606
"467351"	607.234806	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M-2H+K"	36.948606
"846246"	227.044006	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-2H+K"	36.948606
"1566454"	227.044006	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+K-2H"	36.948606
"955430"	235.093594	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-H+HCOOH"	44.998194
"371458"	425.189001	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+HCOOH-H"	44.998201
"352059"	439.204651	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+Hac-H"	59.013851
"1501985"	249.109251	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Hac-H"	59.013851
"968434"	257.075551	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-H+NaCOOH"	66.980151
"121352"	225.064802	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+2Cl"	69.938804
"560182"	320.112502	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+2Cl"	69.938804
"1032631"	130.017102	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2Cl"	69.938804
"1250748"	269.014285	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Br"	78.918885
"1313195"	271.070272	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Cl+HCOOH"	80.974872
"1329601"	293.052229	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Cl+NaCOOH"	102.956829
"916285"	303.080986	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M-H+CF3COOH"	112.985586
"1291170"	339.057664	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Cl+CF3COOH"	148.962264
"1376623"	155.082724	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H-2H2O"	-35.012676
"1387562"	173.0927	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H-H2O"	-17.0027
"292718"	381.198076	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+H"	1.007276
"690608"	571.293476	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+H"	1.007276
"1362592"	191.102676	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H"	1.007276
"137671"	191.102676	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+2H"	2.014552
"569941"	286.150376	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+2H"	2.014552
"1046031"	96.054976	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2H"	2.014552
"211746"	127.737542666667	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+3H"	3.021828
"648752"	191.102676	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+3H"	3.021828
"1165783"	64.3724093333333	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+3H"	3.021828
"428690"	398.224623	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+NH4"	18.033823
"791146"	588.320023	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+NH4"	18.033823
"1686748"	208.129223	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+NH4"	18.033823
"333932"	199.6159495	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+H+NH4"	19.041099
"730728"	294.6636495	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+H+NH4"	19.041099
"1488923"	104.5682495	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H+NH4"	19.041099
"406509"	403.180018	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+Na"	22.989218
"764223"	593.275418	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+Na"	22.989218
"1609042"	213.084618	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Na"	22.989218
"316895"	202.093647	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+H+Na"	23.996494
"710410"	297.141347	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+H+Na"	23.996494
"1466419"	107.045947	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H+Na"	23.996494
"1054197"	71.6997233333333	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2H+Na"	25.00377
"1260248"	223.128886	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+CH3OH+H"	33.033486
"384294"	419.153958	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+K"	38.963158
"745290"	609.249358	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+K"	38.963158
"1542242"	229.058558	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+K"	38.963158
"300875"	210.080617	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+H+K"	39.970434
"700221"	305.128317	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+H+K"	39.970434
"1456228"	115.032917	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H+K"	39.970434
"247018"	422.224626	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+ACN+H"	42.033826
"1223738"	232.129226	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+ACN+H"	42.033826
"1209452"	116.568251	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+ACN+2H"	43.041102
"203783"	425.16196	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+2Na-H"	44.97116
"641872"	615.25736	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+2Na-H"	44.97116
"1144647"	235.06656	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2Na-H"	44.97116
"187581"	213.084618	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+2Na"	45.978436
"625313"	308.132318	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+2Na"	45.978436
"1120437"	118.036918	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2Na"	45.978436
"1410523"	79.0270373333333	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H+2Na"	46.985712
"1438263"	237.108146	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H+HCOOH"	47.012746
"232335"	218.11764	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+3H2O+2H"	56.04448
"1523210"	251.16019	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+IsoProp+H"	61.06479
"423824"	221.071588	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+Na+K"	61.952376
"784372"	316.119288	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+Na+K"	61.952376
"1680096"	126.023888	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Na+K"	61.952376
"265031"	444.206568	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+ACN+Na"	64.015768
"1237735"	254.111168	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+ACN+Na"	64.015768
"1726992"	254.134693	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+NH4+HCOOH"	64.039293
"1190886"	86.3543513333333	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+3Na"	68.967654
"1662966"	259.090088	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Na+HCOOH"	68.994688
"168734"	457.10984	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+2K-H"	76.91904
"608662"	647.20524	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+2K-H"	76.91904
"1091714"	267.01444	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2K-H"	76.91904
"155094"	229.058558	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"2M+2K"	77.926316
"595750"	324.106258	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"3M+2K"	77.926316
"1082447"	134.010858	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2K"	77.926316
"1112377"	269.028992	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2K+H"	78.933592
"1350345"	269.116607	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+DMSO+H"	79.021207
"1019479"	273.155776	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2ACN+H"	83.060376
"1536144"	274.149408	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+IsoProp+Na+H"	84.054008
"1002953"	137.081526	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+2ACN+2H"	84.067652
"1601351"	275.064028	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+K+HCOOH"	84.968628
"1426396"	305.095538	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+H+CF3COOH"	115.000138
"1162032"	157.594801	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+3ACN+2H"	125.094202
"1698583"	322.122085	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+NH4+CF3COOH"	132.026685
"1637514"	327.07748	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+Na+CF3COOH"	136.98208
"1581919"	343.05142	"C20914"	"C20914;Tabtoxin biosynthesis intermediate 4"	"C7H14N2O4"	"190.0954"	"M+K+CF3COOH"	152.95602
"802563"	291.143	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M"	0
"985820"	272.12461	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-H2O-H"	-19.01839
"71875"	193.088057333333	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M-3H"	-3.021828
"514715"	290.135724	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M-3H"	-3.021828
"891426"	96.0403906666667	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-3H"	-3.021828
"13283"	290.135724	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M-2H"	-2.014552
"451747"	435.707224	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M-2H"	-2.014552
"825177"	144.564224	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-2H"	-2.014552
"86261"	581.278724	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M-H"	-1.007276
"525821"	872.421724	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M-H"	-1.007276
"902529"	290.135724	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-H"	-1.007276
"57639"	598.305271	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M-2H+NH4"	16.019271
"495376"	889.448271	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M-2H+NH4"	16.019271
"870993"	307.162271	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-2H+NH4"	16.019271
"35614"	603.260666	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M-2H+Na"	20.974666
"482831"	894.403666	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M-2H+Na"	20.974666
"857353"	312.117666	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-2H+Na"	20.974666
"1631263"	312.117666	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Na-2H"	20.974666
"108643"	308.124063	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M-H+Cl"	33.962126
"542979"	453.695563	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M-H+Cl"	33.962126
"931390"	162.552563	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-H+Cl"	33.962126
"278330"	617.255402	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+Cl"	34.969402
"669659"	908.398402	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+Cl"	34.969402
"1284248"	326.112402	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Cl"	34.969402
"27899"	619.234606	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M-2H+K"	36.948606
"470011"	910.377606	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M-2H+K"	36.948606
"845991"	328.091606	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-2H+K"	36.948606
"1567656"	328.091606	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+K-2H"	36.948606
"955540"	336.141194	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-H+HCOOH"	44.998194
"372661"	627.284201	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+HCOOH-H"	44.998201
"354354"	641.299851	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+Hac-H"	59.013851
"1505374"	350.156851	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Hac-H"	59.013851
"967448"	358.123151	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-H+NaCOOH"	66.980151
"122555"	326.112402	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+2Cl"	69.938804
"559199"	471.683902	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+2Cl"	69.938804
"1033470"	180.540902	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2Cl"	69.938804
"1250858"	370.061885	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Br"	78.918885
"1314398"	372.117872	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Cl+HCOOH"	80.974872
"1330804"	394.099829	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Cl+NaCOOH"	102.956829
"919675"	404.128586	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M-H+CF3COOH"	112.985586
"1291280"	440.105264	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Cl+CF3COOH"	148.962264
"1374546"	256.130324	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H-2H2O"	-35.012676
"1392045"	274.1403	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H-H2O"	-17.0027
"292827"	583.293276	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+H"	1.007276
"690718"	874.436276	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+H"	1.007276
"1359422"	292.150276	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H"	1.007276
"137779"	292.150276	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+2H"	2.014552
"568956"	437.721776	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+2H"	2.014552
"1041400"	146.578776	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2H"	2.014552
"208939"	195.102609333333	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+3H"	3.021828
"648863"	292.150276	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+3H"	3.021828
"1165893"	98.0549426666667	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+3H"	3.021828
"425397"	600.319823	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+NH4"	18.033823
"789067"	891.462823	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+NH4"	18.033823
"1683211"	309.176823	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+NH4"	18.033823
"332949"	300.6635495	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+H+NH4"	19.041099
"723547"	446.2350495	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+H+NH4"	19.041099
"1486848"	155.0920495	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H+NH4"	19.041099
"398964"	605.275218	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+Na"	22.989218
"761053"	896.418218	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+Na"	22.989218
"1602832"	314.132218	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Na"	22.989218
"315911"	303.141247	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+H+Na"	23.996494
"707721"	448.712747	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+H+Na"	23.996494
"1462270"	157.569747	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H+Na"	23.996494
"1056855"	105.382256666667	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2H+Na"	25.00377
"1259262"	324.176486	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+CH3OH+H"	33.033486
"378813"	621.249158	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+K"	38.963158
"739322"	912.392158	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+K"	38.963158
"1543081"	330.106158	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+K"	38.963158
"303537"	311.128217	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+H+K"	39.970434
"693405"	456.699717	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+H+K"	39.970434
"1451965"	165.556717	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H+K"	39.970434
"241661"	624.319826	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+ACN+H"	42.033826
"1224821"	333.176826	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+ACN+H"	42.033826
"1209557"	167.092051	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+ACN+2H"	43.041102
"203969"	627.25716	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+2Na-H"	44.97116
"639794"	918.40016	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+2Na-H"	44.97116
"1144029"	336.11416	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2Na-H"	44.97116
"187322"	314.132218	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+2Na"	45.978436
"622507"	459.703718	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+2Na"	45.978436
"1119818"	168.560718	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2Na"	45.978436
"1410633"	112.709570666667	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H+2Na"	46.985712
"1436187"	338.155746	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H+HCOOH"	47.012746
"229165"	319.16524	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+3H2O+2H"	56.04448
"1523882"	352.20779	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+IsoProp+H"	61.06479
"423728"	322.119188	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+Na+K"	61.952376
"784477"	467.690688	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+Na+K"	61.952376
"1680445"	176.547688	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Na+K"	61.952376
"265505"	646.301768	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+ACN+Na"	64.015768
"1236752"	355.158768	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+ACN+Na"	64.015768
"1727100"	355.182293	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+NH4+HCOOH"	64.039293
"1190266"	120.036884666667	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+3Na"	68.967654
"1661618"	360.137688	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Na+HCOOH"	68.994688
"168844"	659.20504	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+2K-H"	76.91904
"608407"	950.34804	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+2K-H"	76.91904
"1089638"	368.06204	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2K-H"	76.91904
"154475"	330.106158	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"2M+2K"	77.926316
"595131"	475.677658	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"3M+2K"	77.926316
"1082192"	184.534658	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2K"	77.926316
"1112850"	370.076592	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2K+H"	78.933592
"1348872"	370.164207	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+DMSO+H"	79.021207
"1019224"	374.203376	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2ACN+H"	83.060376
"1535525"	375.197008	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+IsoProp+Na+H"	84.054008
"1002699"	187.605326	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+2ACN+2H"	84.067652
"1601942"	376.111628	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+K+HCOOH"	84.968628
"1426506"	406.143138	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+H+CF3COOH"	115.000138
"1161170"	208.118601	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+3ACN+2H"	125.094202
"1699786"	423.169685	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+NH4+CF3COOH"	132.026685
"1636531"	428.12508	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+Na+CF3COOH"	136.98208
"1582029"	444.09902	"C20915"	"C20915;Tabtoxin biosynthesis intermediate 5"	"C11H21N3O6"	"291.143"	"M+K+CF3COOH"	152.95602
"812397"	273.1325	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M"	0
"985930"	254.11411	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-H2O-H"	-19.01839
"77089"	181.081057333333	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M-3H"	-3.021828
"516650"	272.125224	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M-3H"	-3.021828
"895492"	90.0368906666667	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-3H"	-3.021828
"15215"	272.125224	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M-2H"	-2.014552
"448580"	408.691474	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M-2H"	-2.014552
"824194"	135.558974	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-2H"	-2.014552
"89288"	545.257724	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M-H"	-1.007276
"525204"	818.390224	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M-H"	-1.007276
"900818"	272.125224	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-H"	-1.007276
"55925"	562.284271	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M-2H+NH4"	16.019271
"499863"	835.416771	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M-2H+NH4"	16.019271
"873294"	289.151771	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-2H+NH4"	16.019271
"46058"	567.239666	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M-2H+Na"	20.974666
"482943"	840.372166	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M-2H+Na"	20.974666
"857466"	294.107166	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-2H+Na"	20.974666
"1631373"	294.107166	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Na-2H"	20.974666
"100613"	290.113563	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M-H+Cl"	33.962126
"546371"	426.679813	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M-H+Cl"	33.962126
"937698"	153.547313	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-H+Cl"	33.962126
"277348"	581.234402	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+Cl"	34.969402
"667583"	854.366902	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+Cl"	34.969402
"1287885"	308.101902	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Cl"	34.969402
"31090"	583.213606	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M-2H+K"	36.948606
"467572"	856.346106	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M-2H+K"	36.948606
"845372"	310.081106	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-2H+K"	36.948606
"1567766"	310.081106	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+K-2H"	36.948606
"954555"	318.130694	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-H+HCOOH"	44.998194
"371675"	591.263201	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+HCOOH-H"	44.998201
"359933"	605.278851	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+Hac-H"	59.013851
"1504391"	332.146351	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Hac-H"	59.013851
"971573"	340.112651	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-H+NaCOOH"	66.980151
"120842"	308.101902	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+2Cl"	69.938804
"559310"	444.668152	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+2Cl"	69.938804
"1030296"	171.535652	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2Cl"	69.938804
"1252061"	352.051385	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Br"	78.918885
"1313418"	354.107372	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Cl+HCOOH"	80.974872
"1323258"	376.089329	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Cl+NaCOOH"	102.956829
"919784"	386.118086	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M-H+CF3COOH"	112.985586
"1294307"	422.094764	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Cl+CF3COOH"	148.962264
"1369190"	238.119824	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H-2H2O"	-35.012676
"1387784"	256.1298	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H-H2O"	-17.0027
"290750"	547.272276	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+H"	1.007276
"691342"	820.404776	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+H"	1.007276
"1354793"	274.139776	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H"	1.007276
"133515"	274.139776	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+2H"	2.014552
"570891"	410.706026	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+2H"	2.014552
"1039694"	137.573526	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2H"	2.014552
"207957"	183.095609333333	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+3H"	3.021828
"647881"	274.139776	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+3H"	3.021828
"1167466"	92.0514426666667	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+3H"	3.021828
"425630"	564.298823	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+NH4"	18.033823
"787718"	837.431323	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+NH4"	18.033823
"1685873"	291.166323	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+NH4"	18.033823
"334154"	282.6530495	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+H+NH4"	19.041099
"728761"	419.2192995	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+H+NH4"	19.041099
"1483676"	146.0867995	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H+NH4"	19.041099
"401258"	569.254218	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+Na"	22.989218
"758976"	842.386718	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+Na"	22.989218
"1604528"	296.121718	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Na"	22.989218
"316024"	285.130747	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+H+Na"	23.996494
"709539"	421.696997	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+H+Na"	23.996494
"1464454"	148.564497	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H+Na"	23.996494
"1056607"	99.3787566666667	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2H+Na"	25.00377
"1263751"	306.165986	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+CH3OH+H"	33.033486
"382325"	585.228158	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+K"	38.963158
"746601"	858.360658	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+K"	38.963158
"1549747"	312.095658	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+K"	38.963158
"309110"	293.117717	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+H+K"	39.970434
"702264"	429.683967	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+H+K"	39.970434
"1457906"	156.551467	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H+K"	39.970434
"243958"	588.298826	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+ACN+H"	42.033826
"1225338"	315.166326	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+ACN+H"	42.033826
"1209871"	158.086801	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+ACN+2H"	43.041102
"202169"	591.23616	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+2Na-H"	44.97116
"641729"	864.36866	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+2Na-H"	44.97116
"1144506"	318.10366	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2Na-H"	44.97116
"181963"	296.121718	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+2Na"	45.978436
"615328"	432.687968	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+2Na"	45.978436
"1130502"	159.555468	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2Na"	45.978436
"1412932"	106.706070666667	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H+2Na"	46.985712
"1444807"	320.145246	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H+HCOOH"	47.012746
"235623"	301.15474	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+3H2O+2H"	56.04448
"1516244"	334.19729	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+IsoProp+H"	61.06479
"421399"	304.108688	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+Na+K"	61.952376
"783492"	440.674938	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+Na+K"	61.952376
"1671440"	167.542438	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Na+K"	61.952376
"261967"	610.280768	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+ACN+Na"	64.015768
"1238322"	337.148268	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+ACN+Na"	64.015768
"1722474"	337.171793	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+NH4+HCOOH"	64.039293
"1185641"	114.033384666667	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+3Na"	68.967654
"1658812"	342.127188	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Na+HCOOH"	68.994688
"166765"	623.18404	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+2K-H"	76.91904
"600861"	896.31654	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+2K-H"	76.91904
"1090843"	350.05154	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2K-H"	76.91904
"149847"	312.095658	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"2M+2K"	77.926316
"596337"	448.661908	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"3M+2K"	77.926316
"1083158"	175.529408	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2K"	77.926316
"1112962"	352.066092	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2K+H"	78.933592
"1349958"	352.153707	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+DMSO+H"	79.021207
"1020310"	356.192876	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2ACN+H"	83.060376
"1538189"	357.186508	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+IsoProp+Na+H"	84.054008
"1002812"	178.600076	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+2ACN+2H"	84.067652
"1601687"	358.101128	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+K+HCOOH"	84.968628
"1425524"	388.132638	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+H+CF3COOH"	115.000138
"1154722"	199.113351	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+3ACN+2H"	125.094202
"1702087"	405.159185	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+NH4+CF3COOH"	132.026685
"1636644"	410.11458	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+Na+CF3COOH"	136.98208
"1582139"	426.08852	"C20916"	"C20916;Tabtoxin biosynthesis intermediate 6"	"C11H19N3O5"	"273.1325"	"M+K+CF3COOH"	152.95602
"811410"	289.1274	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M"	0
"988838"	270.10901	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H2O-H"	-19.01839
"75377"	191.744324	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-3H"	-3.021828
"512749"	288.120124	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-3H"	-3.021828
"894204"	95.368524	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-3H"	-3.021828
"15327"	288.120124	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H"	-2.014552
"447597"	432.683824	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H"	-2.014552
"828314"	143.556424	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H"	-2.014552
"82108"	577.247524	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-H"	-1.007276
"523855"	866.374924	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-H"	-1.007276
"900564"	288.120124	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H"	-1.007276
"49475"	594.274071	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H+NH4"	16.019271
"492319"	883.401471	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H+NH4"	16.019271
"872310"	305.146671	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H+NH4"	16.019271
"44224"	599.229466	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H+Na"	20.974666
"479772"	888.356866	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H+Na"	20.974666
"857576"	310.102066	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H+Na"	20.974666
"1630389"	310.102066	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na-2H"	20.974666
"99266"	306.108463	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-H+Cl"	33.962126
"547208"	450.672163	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-H+Cl"	33.962126
"938899"	161.544763	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+Cl"	33.962126
"278550"	613.224202	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Cl"	34.969402
"670973"	902.351602	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+Cl"	34.969402
"1281186"	324.096802	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl"	34.969402
"27023"	615.203406	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H+K"	36.948606
"469137"	904.330806	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H+K"	36.948606
"843292"	326.076006	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H+K"	36.948606
"1567875"	326.076006	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K-2H"	36.948606
"955758"	334.125594	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+HCOOH"	44.998194
"375065"	623.253001	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+HCOOH-H"	44.998201
"356762"	637.268651	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Hac-H"	59.013851
"1504501"	348.141251	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Hac-H"	59.013851
"972047"	356.107551	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+NaCOOH"	66.980151
"123871"	324.096802	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2Cl"	69.938804
"558327"	468.660502	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2Cl"	69.938804
"1033324"	179.533102	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2Cl"	69.938804
"1251078"	368.046285	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Br"	78.918885
"1316809"	370.102272	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl+HCOOH"	80.974872
"1331026"	392.084229	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl+NaCOOH"	102.956829
"920989"	402.112986	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+CF3COOH"	112.985586
"1297697"	438.089664	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl+CF3COOH"	148.962264
"1379140"	254.114724	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H-2H2O"	-35.012676
"1384610"	272.1247	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H-H2O"	-17.0027
"288672"	579.262076	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H"	1.007276
"688751"	868.389476	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H"	1.007276
"1364744"	290.134676	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H"	1.007276
"140551"	290.134676	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2H"	2.014552
"573188"	434.698376	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2H"	2.014552
"1039439"	145.570976	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2H"	2.014552
"208065"	193.758876	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+3H"	3.021828
"646896"	290.134676	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+3H"	3.021828
"1165386"	97.383076	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+3H"	3.021828
"426833"	596.288623	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+NH4"	18.033823
"787828"	885.416023	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+NH4"	18.033823
"1688172"	307.161223	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+NH4"	18.033823
"336451"	298.6479495	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H+NH4"	19.041099
"728872"	443.2116495	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H+NH4"	19.041099
"1484878"	154.0842495	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+NH4"	19.041099
"396998"	601.244018	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Na"	22.989218
"759086"	890.371418	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+Na"	22.989218
"1607193"	312.116618	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na"	22.989218
"318325"	301.125647	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H+Na"	23.996494
"708191"	445.689347	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H+Na"	23.996494
"1461523"	156.561947	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+Na"	23.996494
"1057082"	104.71039	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2H+Na"	25.00377
"1258395"	322.160886	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+CH3OH+H"	33.033486
"377694"	617.217958	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+K"	38.963158
"739094"	906.345358	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+K"	38.963158
"1542568"	328.090558	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K"	38.963158
"304849"	309.112617	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H+K"	39.970434
"696179"	453.676317	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H+K"	39.970434
"1449998"	164.548917	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+K"	39.970434
"246984"	620.288626	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+ACN+H"	42.033826
"1225160"	331.161226	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+ACN+H"	42.033826
"1208314"	166.084251	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+ACN+2H"	43.041102
"203007"	623.22596	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2Na-H"	44.97116
"640747"	912.35336	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2Na-H"	44.97116
"1141336"	334.09856	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2Na-H"	44.97116
"182075"	312.116618	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2Na"	45.978436
"618354"	456.680318	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2Na"	45.978436
"1126236"	167.552918	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2Na"	45.978436
"1411947"	112.037704	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+2Na"	46.985712
"1444430"	336.140146	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+HCOOH"	47.012746
"235508"	317.14964	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+3H2O+2H"	56.04448
"1516354"	350.19219	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+IsoProp+H"	61.06479
"424163"	320.103588	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Na+K"	61.952376
"780322"	464.667288	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+Na+K"	61.952376
"1673372"	175.539888	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na+K"	61.952376
"262077"	642.270568	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+ACN+Na"	64.015768
"1236610"	353.143168	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+ACN+Na"	64.015768
"1720397"	353.166693	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+NH4+HCOOH"	64.039293
"1186845"	119.365018	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+3Na"	68.967654
"1656738"	358.122088	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na+HCOOH"	68.994688
"160319"	655.17384	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2K-H"	76.91904
"604253"	944.30124	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2K-H"	76.91904
"1090955"	366.04644	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2K-H"	76.91904
"147771"	328.090558	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2K"	77.926316
"589520"	472.654258	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2K"	77.926316
"1074031"	183.526858	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2K"	77.926316
"1106147"	368.060992	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2K+H"	78.933592
"1348611"	368.148607	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+DMSO+H"	79.021207
"1019813"	372.187776	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2ACN+H"	83.060376
"1539398"	373.181408	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+IsoProp+Na+H"	84.054008
"1004382"	186.597526	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2ACN+2H"	84.067652
"1601072"	374.096028	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K+HCOOH"	84.968628
"1425634"	404.127538	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+CF3COOH"	115.000138
"1155927"	207.110801	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+3ACN+2H"	125.094202
"1704384"	421.154085	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+NH4+CF3COOH"	132.026685
"1642222"	426.10948	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na+CF3COOH"	136.98208
"1582249"	442.08342	"C20917"	"Tabtoxin;beta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K+CF3COOH"	152.95602
"803500"	188.0797	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M"	0
"989761"	169.06131	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-H2O-H"	-19.01839
"75487"	124.379190666667	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M-3H"	-3.021828
"512859"	187.072424	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M-3H"	-3.021828
"893944"	61.6859573333333	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-3H"	-3.021828
"15072"	187.072424	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H"	-2.014552
"453539"	281.112274	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H"	-2.014552
"828424"	93.032574	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H"	-2.014552
"83311"	375.152124	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M-H"	-1.007276
"522872"	563.231824	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M-H"	-1.007276
"900673"	187.072424	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-H"	-1.007276
"51771"	392.178671	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H+NH4"	16.019271
"492790"	580.258371	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H+NH4"	16.019271
"872419"	204.098971	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H+NH4"	16.019271
"43604"	397.134066	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H+Na"	20.974666
"479882"	585.213766	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H+Na"	20.974666
"857686"	209.054366	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H+Na"	20.974666
"1628312"	209.054366	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na-2H"	20.974666
"99375"	205.060763	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M-H+Cl"	33.962126
"538935"	299.100613	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M-H+Cl"	33.962126
"940102"	111.020913	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+Cl"	33.962126
"279753"	411.128802	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Cl"	34.969402
"672176"	599.208502	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+Cl"	34.969402
"1281296"	223.049102	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl"	34.969402
"23852"	413.108006	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H+K"	36.948606
"468882"	601.187706	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H+K"	36.948606
"841215"	225.028306	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H+K"	36.948606
"1562518"	225.028306	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+K-2H"	36.948606
"948214"	233.077894	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+HCOOH"	44.998194
"371531"	421.157601	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+HCOOH-H"	44.998201
"352498"	435.173251	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Hac-H"	59.013851
"1501331"	247.093551	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Hac-H"	59.013851
"969967"	255.059851	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+NaCOOH"	66.980151
"122156"	223.049102	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2Cl"	69.938804
"558437"	317.088952	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2Cl"	69.938804
"1034162"	129.009252	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2Cl"	69.938804
"1250095"	266.998585	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Br"	78.918885
"1317282"	269.054572	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl+HCOOH"	80.974872
"1331134"	291.036529	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl+NaCOOH"	102.956829
"922192"	301.065286	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+CF3COOH"	112.985586
"1295620"	337.041964	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl+CF3COOH"	148.962264
"1379250"	153.067024	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H-2H2O"	-35.012676
"1389093"	171.077	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H-H2O"	-17.0027
"288782"	377.166676	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H"	1.007276
"689591"	565.246376	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H"	1.007276
"1364124"	189.086976	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H"	1.007276
"140172"	189.086976	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2H"	2.014552
"576578"	283.126826	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2H"	2.014552
"1041735"	95.047126	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2H"	2.014552
"207812"	126.393742666667	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+3H"	3.021828
"648100"	189.086976	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+3H"	3.021828
"1165130"	63.7005093333333	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+3H"	3.021828
"428039"	394.193223	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+NH4"	18.033823
"787211"	582.272923	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+NH4"	18.033823
"1687189"	206.113523	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+NH4"	18.033823
"336562"	197.6002495	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H+NH4"	19.041099
"732263"	291.6400995	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H+NH4"	19.041099
"1483895"	103.5603995	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+NH4"	19.041099
"398200"	399.148618	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Na"	22.989218
"761380"	587.228318	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+Na"	22.989218
"1605117"	211.068918	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na"	22.989218
"319527"	200.077947	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H+Na"	23.996494
"707369"	294.117797	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H+Na"	23.996494
"1461799"	106.038097	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+Na"	23.996494
"1060108"	71.0278233333333	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2H+Na"	25.00377
"1257776"	221.113186	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+CH3OH+H"	33.033486
"378173"	415.122558	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+K"	38.963158
"743543"	603.202258	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+K"	38.963158
"1541221"	227.042858	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+K"	38.963158
"310426"	208.064917	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H+K"	39.970434
"700663"	302.104767	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H+K"	39.970434
"1456306"	114.025067	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+K"	39.970434
"249162"	418.193226	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+ACN+H"	42.033826
"1221990"	230.113526	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+ACN+H"	42.033826
"1209032"	115.560401	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+ACN+2H"	43.041102
"203483"	421.13056	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2Na-H"	44.97116
"643045"	609.21026	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2Na-H"	44.97116
"1144362"	233.05086	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2Na-H"	44.97116
"187290"	211.068918	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2Na"	45.978436
"622838"	305.108768	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2Na"	45.978436
"1129626"	117.029068	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2Na"	45.978436
"1411329"	78.3551373333333	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+2Na"	46.985712
"1442356"	235.092446	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+HCOOH"	47.012746
"233875"	216.10194	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+3H2O+2H"	56.04448
"1516464"	249.14449	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+IsoProp+H"	61.06479
"423083"	219.055888	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Na+K"	61.952376
"781528"	313.095738	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+Na+K"	61.952376
"1674575"	125.016038	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na+K"	61.952376
"260731"	440.175168	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+ACN+Na"	64.015768
"1236721"	252.095468	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+ACN+Na"	64.015768
"1719414"	252.118993	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+NH4+HCOOH"	64.039293
"1190238"	85.6824513333333	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+3Na"	68.967654
"1659036"	257.074388	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na+HCOOH"	68.994688
"165531"	453.07844	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2K-H"	76.91904
"606188"	641.15814	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2K-H"	76.91904
"1093253"	264.99874	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2K-H"	76.91904
"151163"	227.042858	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2K"	77.926316
"595098"	321.082708	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2K"	77.926316
"1076329"	133.003008	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2K"	77.926316
"1112819"	267.013292	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2K+H"	78.933592
"1350544"	267.100907	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+DMSO+H"	79.021207
"1019559"	271.140076	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2ACN+H"	83.060376
"1539835"	272.133708	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+IsoProp+Na+H"	84.054008
"1003764"	136.073676	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+2ACN+2H"	84.067652
"1601547"	273.048328	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+K+HCOOH"	84.968628
"1425744"	303.079838	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+CF3COOH"	115.000138
"1156037"	156.586951	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+3ACN+2H"	125.094202
"1704494"	320.106385	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+NH4+CF3COOH"	132.026685
"1642332"	325.06178	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na+CF3COOH"	136.98208
"1582359"	341.03572	"C20918"	"Tabtoxinine-beta-lactam"	"C7H12N2O4"	"188.0797"	"M+K+CF3COOH"	152.95602
"805068"	289.1274	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M"	0
"989427"	270.10901	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H2O-H"	-19.01839
"76690"	191.744324	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-3H"	-3.021828
"512969"	288.120124	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-3H"	-3.021828
"895155"	95.368524	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-3H"	-3.021828
"11535"	288.120124	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H"	-2.014552
"451095"	432.683824	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H"	-2.014552
"822336"	143.556424	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H"	-2.014552
"87793"	577.247524	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-H"	-1.007276
"522981"	866.374924	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-H"	-1.007276
"899688"	288.120124	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H"	-1.007276
"54067"	594.274071	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H+NH4"	16.019271
"491443"	883.401471	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H+NH4"	16.019271
"875810"	305.146671	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H+NH4"	16.019271
"41528"	599.229466	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H+Na"	20.974666
"482179"	888.356866	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H+Na"	20.974666
"857797"	310.102066	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H+Na"	20.974666
"1626236"	310.102066	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na-2H"	20.974666
"107867"	306.108463	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-H+Cl"	33.962126
"542325"	450.672163	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-H+Cl"	33.962126
"939850"	161.544763	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+Cl"	33.962126
"280592"	613.224202	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Cl"	34.969402
"672283"	902.351602	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+Cl"	34.969402
"1284688"	324.096802	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl"	34.969402
"27244"	615.203406	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M-2H+K"	36.948606
"468991"	904.330806	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M-2H+K"	36.948606
"841323"	326.076006	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-2H+K"	36.948606
"1562624"	326.076006	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K-2H"	36.948606
"945040"	334.125594	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+HCOOH"	44.998194
"365445"	623.253001	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+HCOOH-H"	44.998201
"349328"	637.268651	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Hac-H"	59.013851
"1494880"	348.141251	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Hac-H"	59.013851
"965701"	356.107551	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+NaCOOH"	66.980151
"117889"	324.096802	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2Cl"	69.938804
"556359"	468.660502	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2Cl"	69.938804
"1028439"	179.533102	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2Cl"	69.938804
"1248016"	368.046285	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Br"	78.918885
"1317757"	370.102272	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl+HCOOH"	80.974872
"1331244"	392.084229	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl+NaCOOH"	102.956829
"919021"	402.112986	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M-H+CF3COOH"	112.985586
"1293542"	438.089664	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Cl+CF3COOH"	148.962264
"1379360"	254.114724	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H-2H2O"	-35.012676
"1384462"	272.1247	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H-H2O"	-17.0027
"289985"	579.262076	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H"	1.007276
"683501"	868.389476	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H"	1.007276
"1364227"	290.134676	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H"	1.007276
"137852"	290.134676	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2H"	2.014552
"575959"	434.698376	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2H"	2.014552
"1045488"	145.570976	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2H"	2.014552
"210109"	193.758876	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+3H"	3.021828
"645414"	290.134676	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+3H"	3.021828
"1163782"	97.383076	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+3H"	3.021828
"427420"	596.288623	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+NH4"	18.033823
"789875"	885.416023	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+NH4"	18.033823
"1684016"	307.161223	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+NH4"	18.033823
"336669"	298.6479495	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H+NH4"	19.041099
"732369"	443.2116495	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H+NH4"	19.041099
"1481817"	154.0842495	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+NH4"	19.041099
"398308"	601.244018	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Na"	22.989218
"759303"	890.371418	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+Na"	22.989218
"1605225"	312.116618	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na"	22.989218
"318543"	301.125647	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H+Na"	23.996494
"707805"	445.689347	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H+Na"	23.996494
"1463692"	156.561947	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+Na"	23.996494
"1056938"	104.71039	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2H+Na"	25.00377
"1260802"	322.160886	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+CH3OH+H"	33.033486
"381563"	617.217958	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+K"	38.963158
"740373"	906.345358	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+K"	38.963158
"1546435"	328.090558	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K"	38.963158
"303247"	309.112617	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+H+K"	39.970434
"696399"	453.676317	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+H+K"	39.970434
"1453500"	164.548917	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+K"	39.970434
"250366"	620.288626	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+ACN+H"	42.033826
"1225141"	331.161226	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+ACN+H"	42.033826
"1209143"	166.084251	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+ACN+2H"	43.041102
"203227"	623.22596	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2Na-H"	44.97116
"641697"	912.35336	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2Na-H"	44.97116
"1146421"	334.09856	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2Na-H"	44.97116
"186671"	312.116618	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2Na"	45.978436
"622950"	456.680318	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2Na"	45.978436
"1128648"	167.552918	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2Na"	45.978436
"1411803"	112.037704	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+2Na"	46.985712
"1442100"	336.140146	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+HCOOH"	47.012746
"230699"	317.14964	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+3H2O+2H"	56.04448
"1518762"	350.19219	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+IsoProp+H"	61.06479
"423684"	320.103588	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+Na+K"	61.952376
"783463"	464.667288	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+Na+K"	61.952376
"1676146"	175.539888	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na+K"	61.952376
"263031"	642.270568	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+ACN+Na"	64.015768
"1236834"	353.143168	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+ACN+Na"	64.015768
"1718430"	353.166693	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+NH4+HCOOH"	64.039293
"1188161"	119.365018	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+3Na"	68.967654
"1655866"	358.122088	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na+HCOOH"	68.994688
"164913"	655.17384	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2K-H"	76.91904
"602288"	944.30124	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2K-H"	76.91904
"1084978"	366.04644	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2K-H"	76.91904
"153461"	328.090558	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"2M+2K"	77.926316
"591927"	472.654258	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"3M+2K"	77.926316
"1075345"	183.526858	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2K"	77.926316
"1110378"	368.060992	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2K+H"	78.933592
"1350899"	368.148607	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+DMSO+H"	79.021207
"1019426"	372.187776	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2ACN+H"	83.060376
"1538886"	373.181408	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+IsoProp+Na+H"	84.054008
"1003145"	186.597526	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+2ACN+2H"	84.067652
"1599835"	374.096028	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K+HCOOH"	84.968628
"1427678"	404.127538	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+H+CF3COOH"	115.000138
"1151771"	207.110801	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+3ACN+2H"	125.094202
"1702416"	421.154085	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+NH4+CF3COOH"	132.026685
"1644629"	426.10948	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+Na+CF3COOH"	136.98208
"1582469"	442.08342	"C20919"	"Isotabtoxin;delta-Tabtoxin"	"C11H19N3O6"	"289.1274"	"M+K+CF3COOH"	152.95602
"804085"	188.0797	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M"	0
"986370"	169.06131	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-H2O-H"	-19.01839
"66228"	124.379190666667	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M-3H"	-3.021828
"506882"	187.072424	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M-3H"	-3.021828
"890879"	61.6859573333333	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-3H"	-3.021828
"8360"	187.072424	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H"	-2.014552
"452298"	281.112274	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H"	-2.014552
"824632"	93.032574	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H"	-2.014552
"87904"	375.152124	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M-H"	-1.007276
"523091"	563.231824	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M-H"	-1.007276
"900891"	187.072424	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-H"	-1.007276
"54177"	392.178671	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H+NH4"	16.019271
"492646"	580.258371	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H+NH4"	16.019271
"878716"	204.098971	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H+NH4"	16.019271
"42731"	397.134066	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H+Na"	20.974666
"483384"	585.213766	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H+Na"	20.974666
"856813"	209.054366	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H+Na"	20.974666
"1624159"	209.054366	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na-2H"	20.974666
"106882"	205.060763	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M-H+Cl"	33.962126
"544622"	299.100613	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M-H+Cl"	33.962126
"939960"	111.020913	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+Cl"	33.962126
"281920"	411.128802	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Cl"	34.969402
"674582"	599.208502	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+Cl"	34.969402
"1285892"	223.049102	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl"	34.969402
"29541"	413.108006	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M-2H+K"	36.948606
"470073"	601.187706	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M-2H+K"	36.948606
"840341"	225.028306	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-2H+K"	36.948606
"1561641"	225.028306	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+K-2H"	36.948606
"944786"	233.077894	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+HCOOH"	44.998194
"364096"	421.157601	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+HCOOH-H"	44.998201
"352719"	435.173251	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Hac-H"	59.013851
"1496084"	247.093551	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Hac-H"	59.013851
"965447"	255.059851	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+NaCOOH"	66.980151
"117635"	223.049102	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2Cl"	69.938804
"555376"	317.088952	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2Cl"	69.938804
"1028549"	129.009252	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2Cl"	69.938804
"1251041"	266.998585	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Br"	78.918885
"1315316"	269.054572	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl+HCOOH"	80.974872
"1331354"	291.036529	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl+NaCOOH"	102.956829
"919131"	301.065286	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M-H+CF3COOH"	112.985586
"1295839"	337.041964	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Cl+CF3COOH"	148.962264
"1379470"	153.067024	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H-2H2O"	-35.012676
"1389312"	171.077	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H-H2O"	-17.0027
"284990"	377.166676	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H"	1.007276
"680328"	565.246376	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H"	1.007276
"1365432"	189.086976	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H"	1.007276
"139782"	189.086976	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2H"	2.014552
"578983"	283.126826	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2H"	2.014552
"1046692"	95.047126	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2H"	2.014552
"208033"	126.393742666667	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+3H"	3.021828
"649780"	189.086976	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+3H"	3.021828
"1170092"	63.7005093333333	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+3H"	3.021828
"426435"	394.193223	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+NH4"	18.033823
"788526"	582.272923	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+NH4"	18.033823
"1685219"	206.113523	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+NH4"	18.033823
"337871"	197.6002495	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H+NH4"	19.041099
"731386"	291.6400995	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H+NH4"	19.041099
"1483020"	103.5603995	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+NH4"	19.041099
"397323"	399.148618	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Na"	22.989218
"756496"	587.228318	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+Na"	22.989218
"1607521"	211.068918	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na"	22.989218
"318653"	200.077947	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H+Na"	23.996494
"711074"	294.117797	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H+Na"	23.996494
"1467083"	106.038097	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+Na"	23.996494
"1058143"	71.0278233333333	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2H+Na"	25.00377
"1260547"	221.113186	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+CH3OH+H"	33.033486
"381674"	415.122558	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+K"	38.963158
"741940"	603.202258	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+K"	38.963158
"1549096"	227.042858	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+K"	38.963158
"307367"	208.064917	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+H+K"	39.970434
"699788"	302.104767	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+H+K"	39.970434
"1460172"	114.025067	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+K"	39.970434
"251043"	418.193226	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+ACN+H"	42.033826
"1224763"	230.113526	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+ACN+H"	42.033826
"1208890"	115.560401	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+ACN+2H"	43.041102
"202604"	421.13056	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2Na-H"	44.97116
"643755"	609.21026	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2Na-H"	44.97116
"1146927"	233.05086	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2Na-H"	44.97116
"188202"	211.068918	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2Na"	45.978436
"623060"	305.108768	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2Na"	45.978436
"1129852"	117.029068	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2Na"	45.978436
"1412282"	78.3551373333333	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+2Na"	46.985712
"1442573"	235.092446	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+HCOOH"	47.012746
"234092"	216.10194	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+3H2O+2H"	56.04448
"1521788"	249.14449	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+IsoProp+H"	61.06479
"422572"	219.055888	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+Na+K"	61.952376
"778469"	313.095738	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+Na+K"	61.952376
"1675893"	125.016038	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na+K"	61.952376
"260953"	440.175168	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+ACN+Na"	64.015768
"1235851"	252.095468	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+ACN+Na"	64.015768
"1717447"	252.118993	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+NH4+HCOOH"	64.039293
"1187175"	85.6824513333333	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+3Na"	68.967654
"1658161"	257.074388	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na+HCOOH"	68.994688
"162839"	453.07844	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2K-H"	76.91904
"604585"	641.15814	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2K-H"	76.91904
"1088005"	264.99874	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2K-H"	76.91904
"152478"	227.042858	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"2M+2K"	77.926316
"592037"	321.082708	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"3M+2K"	77.926316
"1074362"	133.003008	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2K"	77.926316
"1110853"	267.013292	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2K+H"	78.933592
"1350524"	267.100907	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+DMSO+H"	79.021207
"1020267"	271.140076	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2ACN+H"	83.060376
"1538267"	272.133708	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+IsoProp+Na+H"	84.054008
"1003865"	136.073676	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+2ACN+2H"	84.067652
"1599215"	273.048328	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+K+HCOOH"	84.968628
"1427058"	303.079838	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+H+CF3COOH"	115.000138
"1151881"	156.586951	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+3ACN+2H"	125.094202
"1702526"	320.106385	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+NH4+CF3COOH"	132.026685
"1644739"	325.06178	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+Na+CF3COOH"	136.98208
"1582579"	341.03572	"C20920"	"Tabtoxinine-delta-lactam"	"C7H12N2O4"	"188.0797"	"M+K+CF3COOH"	152.95602
"811850"	230.0903	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M"	0
"989275"	211.07191	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-H2O-H"	-19.01839
"65974"	152.386257333333	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M-3H"	-3.021828
"507721"	229.083024	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M-3H"	-3.021828
"889896"	75.6894906666667	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-3H"	-3.021828
"8470"	229.083024	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M-2H"	-2.014552
"452409"	344.128174	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M-2H"	-2.014552
"824743"	114.037874	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-2H"	-2.014552
"85828"	459.173324	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M-H"	-1.007276
"524294"	689.263624	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M-H"	-1.007276
"904281"	229.083024	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-H"	-1.007276
"51007"	476.199871	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M-2H+NH4"	16.019271
"492756"	706.290171	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M-2H+NH4"	16.019271
"871653"	246.109571	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-2H+NH4"	16.019271
"42835"	481.155266	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M-2H+Na"	20.974666
"484587"	711.245566	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M-2H+Na"	20.974666
"856923"	251.064966	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-2H+Na"	20.974666
"1627549"	251.064966	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Na-2H"	20.974666
"107356"	247.071363	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M-H+Cl"	33.962126
"544731"	362.116513	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M-H+Cl"	33.962126
"939340"	132.026213	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-H+Cl"	33.962126
"282393"	495.150002	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+Cl"	34.969402
"672508"	725.240302	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+Cl"	34.969402
"1283817"	265.059702	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Cl"	34.969402
"30625"	497.129206	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M-2H+K"	36.948606
"470673"	727.219506	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M-2H+K"	36.948606
"842638"	267.038906	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-2H+K"	36.948606
"1557744"	267.038906	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+K-2H"	36.948606
"947448"	275.088494	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-H+HCOOH"	44.998194
"365665"	505.178801	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+HCOOH-H"	44.998201
"351736"	519.194451	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+Hac-H"	59.013851
"1502755"	289.104151	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Hac-H"	59.013851
"972484"	297.070451	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-H+NaCOOH"	66.980151
"123214"	265.059702	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+2Cl"	69.938804
"564114"	380.104852	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+2Cl"	69.938804
"1036559"	150.014552	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2Cl"	69.938804
"1249331"	309.009185	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Br"	78.918885
"1312874"	311.065172	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Cl+HCOOH"	80.974872
"1333287"	333.047129	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Cl+NaCOOH"	102.956829
"919241"	343.075886	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M-H+CF3COOH"	112.985586
"1294855"	379.052564	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Cl+CF3COOH"	148.962264
"1379580"	195.077624	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H-2H2O"	-35.012676
"1390515"	213.0876	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H-H2O"	-17.0027
"288016"	461.187876	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+H"	1.007276
"682625"	691.278176	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+H"	1.007276
"1364449"	231.097576	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H"	1.007276
"134060"	231.097576	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+2H"	2.014552
"576541"	346.142726	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+2H"	2.014552
"1047893"	116.052426	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2H"	2.014552
"206682"	154.400809333333	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+3H"	3.021828
"647703"	231.097576	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+3H"	3.021828
"1168016"	77.7040426666667	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+3H"	3.021828
"426908"	478.214423	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+NH4"	18.033823
"786809"	708.304723	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+NH4"	18.033823
"1682412"	248.124123	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+NH4"	18.033823
"333607"	239.6108495	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+H+NH4"	19.041099
"729309"	354.6559995	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+H+NH4"	19.041099
"1481307"	124.5656995	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H+NH4"	19.041099
"395246"	483.169818	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+Na"	22.989218
"754903"	713.260118	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+Na"	22.989218
"1606536"	253.079518	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Na"	22.989218
"316208"	242.088547	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+H+Na"	23.996494
"709723"	357.133697	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+H+Na"	23.996494
"1466098"	127.043397	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H+Na"	23.996494
"1057157"	85.0313566666667	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2H+Na"	25.00377
"1259562"	263.123786	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+CH3OH+H"	33.033486
"382877"	499.143758	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+K"	38.963158
"742049"	729.234058	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+K"	38.963158
"1544103"	269.053458	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+K"	38.963158
"305653"	250.075517	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+H+K"	39.970434
"704271"	365.120667	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+H+K"	39.970434
"1458092"	135.030367	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H+K"	39.970434
"251156"	502.214426	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+ACN+H"	42.033826
"1224627"	272.124126	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+ACN+H"	42.033826
"1208509"	136.565701	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+ACN+2H"	43.041102
"200526"	505.15176	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+2Na-H"	44.97116
"642523"	735.24206	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+2Na-H"	44.97116
"1146643"	275.06146	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2Na-H"	44.97116
"185795"	253.079518	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+2Na"	45.978436
"623171"	368.124668	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+2Na"	45.978436
"1127773"	138.034368	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2Na"	45.978436
"1412388"	92.3586706666667	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H+2Na"	46.985712
"1443783"	277.103046	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H+HCOOH"	47.012746
"234934"	258.11254	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+3H2O+2H"	56.04448
"1522878"	291.15509	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+IsoProp+H"	61.06479
"421592"	261.066488	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+Na+K"	61.952376
"782951"	376.111638	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+Na+K"	61.952376
"1676730"	146.021338	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Na+K"	61.952376
"261427"	524.196368	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+ACN+Na"	64.015768
"1237419"	294.106068	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+ACN+Na"	64.015768
"1718650"	294.129593	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+NH4+HCOOH"	64.039293
"1187286"	99.6859846666667	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+3Na"	68.967654
"1659366"	299.084988	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Na+HCOOH"	68.994688
"161855"	537.09964	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+2K-H"	76.91904
"600322"	767.18994	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+2K-H"	76.91904
"1085196"	307.00934	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2K-H"	76.91904
"148214"	269.053458	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"2M+2K"	77.926316
"589960"	384.098608	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"3M+2K"	77.926316
"1076658"	154.008308	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2K"	77.926316
"1112786"	309.023892	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2K+H"	78.933592
"1350630"	309.111507	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+DMSO+H"	79.021207
"1019159"	313.150676	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2ACN+H"	83.060376
"1537284"	314.144308	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+IsoProp+Na+H"	84.054008
"1003732"	157.078976	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+2ACN+2H"	84.067652
"1599325"	315.058928	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+K+HCOOH"	84.968628
"1427899"	345.090438	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+H+CF3COOH"	115.000138
"1150900"	177.592251	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+3ACN+2H"	125.094202
"1707012"	362.116985	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+NH4+CF3COOH"	132.026685
"1643756"	367.07238	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+Na+CF3COOH"	136.98208
"1582689"	383.04632	"C20921"	"N1-Acetyl-tabtoxinine-beta-lactam"	"C9H14N2O5"	"230.0903"	"M+K+CF3COOH"	152.95602
"803212"	272.2504	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M"	0
"986590"	253.23201	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H2O-H"	-19.01839
"67177"	180.492990666667	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-3H"	-3.021828
"504550"	271.243124	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-3H"	-3.021828
"887819"	89.7428573333333	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-3H"	-3.021828
"5300"	271.243124	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H"	-2.014552
"454951"	407.368324	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H"	-2.014552
"829957"	135.117924	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H"	-2.014552
"84844"	543.493524	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-H"	-1.007276
"522217"	815.743924	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-H"	-1.007276
"905485"	271.243124	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H"	-1.007276
"49295"	560.520071	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H+NH4"	16.019271
"491772"	832.770471	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H+NH4"	16.019271
"875773"	288.269671	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H+NH4"	16.019271
"34923"	565.475466	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H+Na"	20.974666
"484696"	837.725866	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H+Na"	20.974666
"855941"	293.225066	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H+Na"	20.974666
"1626566"	293.225066	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na-2H"	20.974666
"103096"	289.231463	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-H+Cl"	33.962126
"543751"	425.356663	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-H+Cl"	33.962126
"938358"	153.106263	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+Cl"	33.962126
"280923"	579.470202	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Cl"	34.969402
"675048"	851.720602	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+Cl"	34.969402
"1287572"	307.219802	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl"	34.969402
"29762"	581.449406	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M-2H+K"	36.948606
"470703"	853.699806	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M-2H+K"	36.948606
"843842"	309.199006	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-2H+K"	36.948606
"1562956"	309.199006	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K-2H"	36.948606
"947558"	317.248594	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+HCOOH"	44.998194
"365775"	589.499001	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+HCOOH-H"	44.998201
"351846"	603.514651	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Hac-H"	59.013851
"1499585"	331.264251	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Hac-H"	59.013851
"969678"	339.230551	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+NaCOOH"	66.980151
"124053"	307.219802	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2Cl"	69.938804
"563981"	443.345002	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2Cl"	69.938804
"1036629"	171.094602	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2Cl"	69.938804
"1251627"	351.169285	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Br"	78.918885
"1315899"	353.225272	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl+HCOOH"	80.974872
"1333397"	375.207229	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl+NaCOOH"	102.956829
"920444"	385.235986	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M-H+CF3COOH"	112.985586
"1293872"	421.212664	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Cl+CF3COOH"	148.962264
"1379690"	237.237724	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H-2H2O"	-35.012676
"1396822"	255.2477	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H-H2O"	-17.0027
"297845"	545.508076	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H"	1.007276
"687109"	817.758476	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H"	1.007276
"1365287"	273.257676	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H"	1.007276
"138538"	273.257676	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2H"	2.014552
"575922"	409.382876	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2H"	2.014552
"1047997"	137.132476	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2H"	2.014552
"212624"	182.507542666667	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+3H"	3.021828
"649999"	273.257676	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+3H"	3.021828
"1171039"	91.7574093333333	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+3H"	3.021828
"425319"	562.534623	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+NH4"	18.033823
"787651"	834.785023	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+NH4"	18.033823
"1682524"	290.284223	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+NH4"	18.033823
"334811"	281.7709495	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H+NH4"	19.041099
"727232"	417.8961495	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H+NH4"	19.041099
"1479960"	145.6457495	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+NH4"	19.041099
"394989"	567.490018	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Na"	22.989218
"757443"	839.740418	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+Na"	22.989218
"1605553"	295.239618	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na"	22.989218
"317046"	284.248647	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H+Na"	23.996494
"709104"	420.373847	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H+Na"	23.996494
"1466208"	148.123447	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+Na"	23.996494
"1057267"	99.0847233333333	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2H+Na"	25.00377
"1259672"	305.283886	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+CH3OH+H"	33.033486
"381893"	583.463958	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+K"	38.963158
"743981"	855.714358	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+K"	38.963158
"1547129"	311.213558	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K"	38.963158
"304305"	292.235617	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+H+K"	39.970434
"703289"	428.360817	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+H+K"	39.970434
"1460391"	156.110417	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+K"	39.970434
"250086"	586.534626	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+ACN+H"	42.033826
"1223642"	314.284226	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+ACN+H"	42.033826
"1208984"	157.645751	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+ACN+2H"	43.041102
"200637"	589.47196	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2Na-H"	44.97116
"642391"	861.72236	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2Na-H"	44.97116
"1146509"	317.22156	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2Na-H"	44.97116
"187856"	295.239618	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2Na"	45.978436
"623281"	431.364818	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2Na"	45.978436
"1127885"	159.114418	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2Na"	45.978436
"1409948"	106.412037333333	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+2Na"	46.985712
"1443527"	319.263146	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+HCOOH"	47.012746
"232860"	300.27264	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+3H2O+2H"	56.04448
"1522017"	333.31519	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+IsoProp+H"	61.06479
"419515"	303.226588	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+Na+K"	61.952376
"780510"	439.351788	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+Na+K"	61.952376
"1672832"	167.101388	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na+K"	61.952376
"261174"	608.516568	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+ACN+Na"	64.015768
"1235343"	336.266168	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+ACN+Na"	64.015768
"1717669"	336.289693	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+NH4+HCOOH"	64.039293
"1184117"	113.739351333333	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+3Na"	68.967654
"1656196"	341.245088	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na+HCOOH"	68.994688
"163057"	621.41984	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2K-H"	76.91904
"601525"	893.67024	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2K-H"	76.91904
"1086401"	349.16944	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2K-H"	76.91904
"148323"	311.213558	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"2M+2K"	77.926316
"593351"	447.338758	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"3M+2K"	77.926316
"1074582"	175.088358	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2K"	77.926316
"1113261"	351.183992	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2K+H"	78.933592
"1349645"	351.271607	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+DMSO+H"	79.021207
"1020362"	355.310776	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2ACN+H"	83.060376
"1539801"	356.304408	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+IsoProp+Na+H"	84.054008
"1005462"	178.159026	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+2ACN+2H"	84.067652
"1600165"	357.219028	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K+HCOOH"	84.968628
"1425093"	387.250538	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+H+CF3COOH"	115.000138
"1149916"	198.672301	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+3ACN+2H"	125.094202
"1703842"	404.277085	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+NH4+CF3COOH"	132.026685
"1643866"	409.23248	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+Na+CF3COOH"	136.98208
"1582799"	425.20642	"C20922"	"Cembrene C;(1E5E9E)-159-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-159-triene"	"C20H32"	"272.2504"	"M+K+CF3COOH"	152.95602
"803322"	290.261	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M"	0
"986700"	271.24261	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"66194"	192.500057333333	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"505024"	289.253724	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"887929"	95.7463906666667	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"5410"	289.253724	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"454818"	434.384224	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"827149"	144.123224	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"84954"	579.514724	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"524514"	869.775724	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"904501"	289.253724	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"51222"	596.541271	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"490058"	886.802271	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"878434"	306.280271	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"35033"	601.496666	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"484442"	891.757666	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"854956"	311.235666	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1622302"	311.235666	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"104298"	307.242063	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"538392"	452.372563	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"937374"	162.111563	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"280302"	615.491402	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"673453"	905.752402	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1286711"	325.230402	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"28779"	617.470606	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"463964"	907.731606	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"842859"	327.209606	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1559786"	327.209606	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"946575"	335.259194	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"364791"	625.520201	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"351956"	639.535851	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1499695"	349.274851	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"970881"	357.241151	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"121612"	325.230402	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"565308"	470.360902	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1036424"	180.099902	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1255019"	369.179885	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1316374"	371.235872	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1330591"	393.217829	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"921648"	403.246586	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1298356"	439.223264	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1379800"	255.248324	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1394016"	273.2583	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"296983"	581.529276	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"687220"	871.790276	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1363575"	291.268276	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"137557"	291.268276	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"577489"	436.398776	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1048110"	146.137776	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"214555"	194.514609333333	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"650110"	291.268276	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1170420"	97.7609426666667	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"428227"	598.555823	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"787397"	888.816823	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1682997"	308.294823	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"333827"	299.7815495	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"729530"	444.9120495	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1479342"	154.6510495	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"394371"	603.511218	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"756462"	893.772218	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1602819"	313.250218	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"314521"	302.259247	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"707347"	447.389747	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1466318"	157.128747	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1053489"	105.088256666667	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1257960"	323.294486	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"382004"	619.485158	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"744094"	909.746158	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1543959"	329.224158	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"302593"	310.246217	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"701942"	455.376717	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1456856"	165.115717	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"248373"	622.555826	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1222537"	332.294826	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1208242"	166.651051	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"198560"	625.49316	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"641408"	915.75416	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1146374"	335.23216	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"187477"	313.250218	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"623027"	458.380718	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1128359"	168.119718	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1410788"	112.415570666667	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1443640"	337.273746	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"234668"	318.28324	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1522734"	351.32579	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"421813"	321.237188	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"782078"	466.367688	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1676586"	176.106688	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"262742"	644.537768	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1233268"	354.276768	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1718872"	354.300293	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1183133"	119.742884666667	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1657399"	359.255688	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"160981"	657.44104	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"604917"	947.70204	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1086147"	367.18004	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"148433"	329.224158	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"589087"	474.354658	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1074692"	184.093658	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1112277"	369.194592	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1350854"	369.282207	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1021309"	373.321376	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1539447"	374.315008	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"1005509"	187.164326	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1598452"	375.229628	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1426297"	405.261138	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1152212"	207.677601	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1701761"	422.287685	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1641789"	427.24308	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1582909"	443.21702	"C20923"	"(R)-Nephthenol;2-(1R3E7E11E)-4812-Trimethyltetradeca-3711-trien-1-ylpropan-2-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"816193"	290.261	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M"	0
"986446"	271.24261	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-H2O-H"	-19.01839
"75053"	192.500057333333	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M-3H"	-3.021828
"510239"	289.253724	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M-3H"	-3.021828
"884760"	95.7463906666667	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-3H"	-3.021828
"14636"	289.253724	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M-2H"	-2.014552
"453837"	434.384224	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M-2H"	-2.014552
"827261"	144.123224	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-2H"	-2.014552
"92112"	579.514724	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M-H"	-1.007276
"525718"	869.775724	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M-H"	-1.007276
"906798"	289.253724	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-H"	-1.007276
"51334"	596.541271	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M-2H+NH4"	16.019271
"489804"	886.802271	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M-2H+NH4"	16.019271
"878544"	306.280271	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-2H+NH4"	16.019271
"39884"	601.496666	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M-2H+Na"	20.974666
"483095"	891.757666	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M-2H+Na"	20.974666
"857253"	311.235666	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-2H+Na"	20.974666
"1628972"	311.235666	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Na-2H"	20.974666
"104408"	307.242063	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M-H+Cl"	33.962126
"542876"	452.372563	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M-H+Cl"	33.962126
"937484"	162.111563	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-H+Cl"	33.962126
"278228"	615.491402	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+Cl"	34.969402
"672111"	905.752402	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+Cl"	34.969402
"1285972"	325.230402	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Cl"	34.969402
"29381"	617.470606	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M-2H+K"	36.948606
"469911"	907.731606	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M-2H+K"	36.948606
"842971"	327.209606	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-2H+K"	36.948606
"1563176"	327.209606	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+K-2H"	36.948606
"955801"	335.259194	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-H+HCOOH"	44.998194
"373285"	625.520201	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+HCOOH-H"	44.998201
"359723"	639.535851	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+Hac-H"	59.013851
"1505274"	349.274851	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Hac-H"	59.013851
"969898"	357.241151	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-H+NaCOOH"	66.980151
"125457"	325.230402	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+2Cl"	69.938804
"565529"	470.360902	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+2Cl"	69.938804
"1036854"	180.099902	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2Cl"	69.938804
"1255861"	369.179885	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Br"	78.918885
"1319040"	371.235872	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Cl+HCOOH"	80.974872
"1333617"	393.217829	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Cl+NaCOOH"	102.956829
"925407"	403.246586	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M-H+CF3COOH"	112.985586
"1302842"	439.223264	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Cl+CF3COOH"	148.962264
"1381007"	255.248324	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H-2H2O"	-35.012676
"1393034"	273.2583	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H-H2O"	-17.0027
"296731"	581.529276	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+H"	1.007276
"688423"	871.790276	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+H"	1.007276
"1363685"	291.268276	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H"	1.007276
"135480"	291.268276	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+2H"	2.014552
"576137"	436.398776	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+2H"	2.014552
"1049681"	146.137776	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2H"	2.014552
"216488"	194.514609333333	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+3H"	3.021828
"651312"	291.268276	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+3H"	3.021828
"1168345"	97.7609426666667	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+3H"	3.021828
"430522"	598.555823	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+NH4"	18.033823
"790424"	888.816823	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+NH4"	18.033823
"1683837"	308.294823	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+NH4"	18.033823
"336124"	299.7815495	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+H+NH4"	19.041099
"732918"	444.9120495	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+H+NH4"	19.041099
"1484556"	154.6510495	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H+NH4"	19.041099
"396671"	603.511218	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+Na"	22.989218
"763133"	893.772218	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+Na"	22.989218
"1604314"	313.250218	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Na"	22.989218
"314468"	302.259247	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+H+Na"	23.996494
"708231"	447.389747	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+H+Na"	23.996494
"1466430"	157.128747	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H+Na"	23.996494
"1058583"	105.088256666667	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2H+Na"	25.00377
"1258070"	323.294486	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+CH3OH+H"	33.033486
"382116"	619.485158	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+K"	38.963158
"746391"	909.746158	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+K"	38.963158
"1549537"	329.224158	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+K"	38.963158
"310362"	310.246217	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+H+K"	39.970434
"701322"	455.376717	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+H+K"	39.970434
"1458060"	165.115717	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H+K"	39.970434
"249941"	622.555826	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+ACN+H"	42.033826
"1224351"	332.294826	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+ACN+H"	42.033826
"1208846"	166.651051	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+ACN+2H"	43.041102
"203292"	625.49316	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+2Na-H"	44.97116
"641883"	915.75416	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+2Na-H"	44.97116
"1144539"	335.23216	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2Na-H"	44.97116
"187467"	313.250218	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+2Na"	45.978436
"623137"	458.380718	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+2Na"	45.978436
"1128470"	168.119718	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2Na"	45.978436
"1412234"	112.415570666667	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H+2Na"	46.985712
"1443748"	337.273746	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H+HCOOH"	47.012746
"234051"	318.28324	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+3H2O+2H"	56.04448
"1522722"	351.32579	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+IsoProp+H"	61.06479
"422653"	321.237188	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+Na+K"	61.952376
"782916"	466.367688	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+Na+K"	61.952376
"1677790"	176.106688	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Na+K"	61.952376
"260666"	644.537768	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+ACN+Na"	64.015768
"1233376"	354.276768	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+ACN+Na"	64.015768
"1715703"	354.300293	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+NH4+HCOOH"	64.039293
"1183243"	119.742884666667	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+3Na"	68.967654
"1655325"	359.255688	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Na+HCOOH"	68.994688
"163277"	657.44104	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+2K-H"	76.91904
"605026"	947.70204	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+2K-H"	76.91904
"1086259"	367.18004	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2K-H"	76.91904
"147450"	329.224158	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"2M+2K"	77.926316
"583848"	474.354658	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"3M+2K"	77.926316
"1072613"	184.093658	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2K"	77.926316
"1105826"	369.194592	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2K+H"	78.933592
"1349866"	369.282207	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+DMSO+H"	79.021207
"1020459"	373.321376	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2ACN+H"	83.060376
"1539521"	374.315008	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+IsoProp+Na+H"	84.054008
"1005442"	187.164326	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+2ACN+2H"	84.067652
"1594189"	375.229628	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+K+HCOOH"	84.968628
"1424219"	405.261138	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+H+CF3COOH"	115.000138
"1150134"	207.677601	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+3ACN+2H"	125.094202
"1701876"	422.287685	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+NH4+CF3COOH"	132.026685
"1637526"	427.24308	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+Na+CF3COOH"	136.98208
"1583019"	443.21702	"C20924"	"(1S4E8E12E)-225913-Pentamethylcyclopentadeca-4812-trien-1-ol"	"C20H34O"	"290.261"	"M+K+CF3COOH"	152.95602
"803542"	390.1751	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M"	0
"986920"	371.15671	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-H2O-H"	-19.01839
"76256"	259.109457333333	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M-3H"	-3.021828
"510349"	389.167824	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M-3H"	-3.021828
"884869"	129.051090666667	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-3H"	-3.021828
"12193"	389.167824	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M-2H"	-2.014552
"452847"	584.255374	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M-2H"	-2.014552
"831951"	194.080274	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-2H"	-2.014552
"90645"	779.342924	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M-H"	-1.007276
"532030"	1169.518024	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M-H"	-1.007276
"903628"	389.167824	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-H"	-1.007276
"51444"	796.369471	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M-2H+NH4"	16.019271
"489914"	1186.544571	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M-2H+NH4"	16.019271
"877440"	406.194371	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-2H+NH4"	16.019271
"39994"	801.324866	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M-2H+Na"	20.974666
"474816"	1191.499966	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M-2H+Na"	20.974666
"862101"	411.149766	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-2H+Na"	20.974666
"1625803"	411.149766	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Na-2H"	20.974666
"104518"	407.156163	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M-H+Cl"	33.962126
"540799"	602.243713	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M-H+Cl"	33.962126
"938688"	212.068613	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-H+Cl"	33.962126
"280890"	815.319602	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+Cl"	34.969402
"672949"	1205.494702	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+Cl"	34.969402
"1286083"	425.144502	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Cl"	34.969402
"29733"	817.298806	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M-2H+K"	36.948606
"471114"	1207.473906	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M-2H+K"	36.948606
"845999"	427.123706	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-2H+K"	36.948606
"1568754"	427.123706	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+K-2H"	36.948606
"957004"	435.173294	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-H+HCOOH"	44.998194
"373759"	825.348401	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+HCOOH-H"	44.998201
"360442"	839.364051	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+Hac-H"	59.013851
"1504656"	449.188951	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Hac-H"	59.013851
"968549"	457.155251	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-H+NaCOOH"	66.980151
"124754"	425.144502	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+2Cl"	69.938804
"564676"	620.232052	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+2Cl"	69.938804
"1036719"	230.056952	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2Cl"	69.938804
"1255968"	469.093985	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Br"	78.918885
"1319838"	471.149972	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Cl+HCOOH"	80.974872
"1333363"	493.131929	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Cl+NaCOOH"	102.956829
"926245"	503.160686	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M-H+CF3COOH"	112.985586
"1301859"	539.137364	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Cl+CF3COOH"	148.962264
"1382171"	355.162424	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H-2H2O"	-35.012676
"1392051"	373.1724	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H-H2O"	-17.0027
"296112"	781.357476	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+H"	1.007276
"688533"	1171.532576	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+H"	1.007276
"1359419"	391.182376	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H"	1.007276
"133402"	391.182376	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+2H"	2.014552
"576248"	586.269926	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+2H"	2.014552
"1049062"	196.094826	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2H"	2.014552
"215137"	261.124009333333	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+3H"	3.021828
"654698"	391.182376	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+3H"	3.021828
"1169548"	131.065642666667	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+3H"	3.021828
"431726"	798.384023	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+NH4"	18.033823
"791628"	1188.559123	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+NH4"	18.033823
"1685039"	408.208923	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+NH4"	18.033823
"339513"	399.6956495	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+H+NH4"	19.041099
"729750"	594.7831995	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+H+NH4"	19.041099
"1483574"	204.6080995	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H+NH4"	19.041099
"395691"	803.339418	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+Na"	22.989218
"759964"	1193.514518	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+Na"	22.989218
"1605518"	413.164318	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Na"	22.989218
"316648"	402.173347	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+H+Na"	23.996494
"708584"	597.260897	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+H+Na"	23.996494
"1465446"	207.085797	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H+Na"	23.996494
"1054318"	138.392956666667	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2H+Na"	25.00377
"1258546"	423.208586	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+CH3OH+H"	33.033486
"382224"	819.313358	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+K"	38.963158
"744313"	1209.488458	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+K"	38.963158
"1547458"	429.138258	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+K"	38.963158
"304634"	410.160317	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+H+K"	39.970434
"699243"	605.247867	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+H+K"	39.970434
"1455249"	215.072767	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H+K"	39.970434
"250048"	822.384026	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+ACN+H"	42.033826
"1222026"	432.208926	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+ACN+H"	42.033826
"1206638"	216.608101	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+ACN+2H"	43.041102
"199873"	825.32136	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+2Na-H"	44.97116
"641627"	1215.49646	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+2Na-H"	44.97116
"1146349"	435.14626	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2Na-H"	44.97116
"187704"	413.164318	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+2Na"	45.978436
"623611"	608.251868	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+2Na"	45.978436
"1128944"	218.076768	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2Na"	45.978436
"1411736"	145.720270666667	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H+2Na"	46.985712
"1443860"	437.187846	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H+HCOOH"	47.012746
"234891"	418.19734	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+3H2O+2H"	56.04448
"1523197"	451.23989	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+IsoProp+H"	61.06479
"423614"	421.151288	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+Na+K"	61.952376
"781934"	616.238838	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+Na+K"	61.952376
"1677538"	226.063738	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Na+K"	61.952376
"262963"	844.365968	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+ACN+Na"	64.015768
"1236768"	454.190868	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+ACN+Na"	64.015768
"1723466"	454.214393	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+NH4+HCOOH"	64.039293
"1184446"	153.047584666667	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+3Na"	68.967654
"1657621"	459.169788	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Na+HCOOH"	68.994688
"164481"	857.26924	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+2K-H"	76.91904
"605135"	1247.44434	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+2K-H"	76.91904
"1087462"	467.09414	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2K-H"	76.91904
"150840"	429.138258	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"2M+2K"	77.926316
"582744"	624.225808	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"3M+2K"	77.926316
"1073816"	234.050708	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2K"	77.926316
"1107029"	469.108692	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2K+H"	78.933592
"1351257"	469.196307	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+DMSO+H"	79.021207
"1021020"	473.235476	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2ACN+H"	83.060376
"1539551"	474.229108	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+IsoProp+Na+H"	84.054008
"1005265"	237.121376	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+2ACN+2H"	84.067652
"1595392"	475.143728	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+K+HCOOH"	84.968628
"1425423"	505.175238	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+H+CF3COOH"	115.000138
"1149153"	257.634651	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+3ACN+2H"	125.094202
"1703079"	522.201785	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+NH4+CF3COOH"	132.026685
"1637636"	527.15718	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+Na+CF3COOH"	136.98208
"1583129"	543.13112	"C20925"	"L-Alanyl-gamma-D-glutamyl-meso-26-diaminoheptanedioate;L-Alanyl-gamma-D-glutamyl-meso-26-diaminopimelate"	"C15H26N4O8"	"390.1751"	"M+K+CF3COOH"	152.95602
"803652"	266.1267	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M"	0
"980469"	247.10831	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-H2O-H"	-19.01839
"73085"	176.410524	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M-3H"	-3.021828
"507178"	265.119424	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M-3H"	-3.021828
"884980"	87.701624	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-3H"	-3.021828
"15218"	265.119424	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M-2H"	-2.014552
"452957"	398.182774	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M-2H"	-2.014552
"831490"	132.056074	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-2H"	-2.014552
"90755"	531.246124	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M-H"	-1.007276
"531046"	797.372824	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M-H"	-1.007276
"908112"	265.119424	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-H"	-1.007276
"51918"	548.272671	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M-2H+NH4"	16.019271
"489292"	814.399371	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M-2H+NH4"	16.019271
"870380"	282.145971	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-2H+NH4"	16.019271
"34270"	553.228066	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M-2H+Na"	20.974666
"477842"	819.354766	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M-2H+Na"	20.974666
"858563"	287.101366	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-2H+Na"	20.974666
"1630287"	287.101366	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Na-2H"	20.974666
"107910"	283.107763	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M-H+Cl"	33.962126
"544189"	416.171113	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M-H+Cl"	33.962126
"939892"	150.044413	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-H+Cl"	33.962126
"281730"	567.222802	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+Cl"	34.969402
"674033"	833.349502	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+Cl"	34.969402
"1287044"	301.096102	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Cl"	34.969402
"31061"	569.202006	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M-2H+K"	36.948606
"470983"	835.328706	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M-2H+K"	36.948606
"847891"	303.075306	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-2H+K"	36.948606
"1568864"	303.075306	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+K-2H"	36.948606
"957763"	311.124894	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-H+HCOOH"	44.998194
"373869"	577.251601	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+HCOOH-H"	44.998201
"360308"	591.267251	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+Hac-H"	59.013851
"1505858"	325.140551	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Hac-H"	59.013851
"969752"	333.106851	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-H+NaCOOH"	66.980151
"124989"	301.096102	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+2Cl"	69.938804
"564786"	434.159452	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+2Cl"	69.938804
"1036502"	168.032752	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2Cl"	69.938804
"1256767"	345.045585	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Br"	78.918885
"1319713"	347.101572	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Cl+HCOOH"	80.974872
"1335604"	369.083529	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Cl+NaCOOH"	102.956829
"926923"	379.112286	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M-H+CF3COOH"	112.985586
"1300875"	415.088964	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Cl+CF3COOH"	148.962264
"1381227"	231.114024	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H-2H2O"	-35.012676
"1393254"	249.124	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H-H2O"	-17.0027
"297315"	533.260676	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+H"	1.007276
"688643"	799.387376	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+H"	1.007276
"1366576"	267.133976	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H"	1.007276
"138979"	267.133976	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+2H"	2.014552
"577451"	400.197326	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+2H"	2.014552
"1050264"	134.070626	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2H"	2.014552
"217801"	178.425076	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+3H"	3.021828
"658090"	267.133976	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+3H"	3.021828
"1176945"	89.716176	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+3H"	3.021828
"435116"	550.287223	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+NH4"	18.033823
"793924"	816.413923	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+NH4"	18.033823
"1685879"	284.160523	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+NH4"	18.033823
"340718"	275.6472495	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+H+NH4"	19.041099
"734233"	408.7105995	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+H+NH4"	19.041099
"1488055"	142.5838995	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H+NH4"	19.041099
"400174"	555.242618	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+Na"	22.989218
"764448"	821.369318	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+Na"	22.989218
"1605020"	289.115918	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Na"	22.989218
"318217"	278.124947	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+H+Na"	23.996494
"707965"	411.188297	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+H+Na"	23.996494
"1464461"	145.061597	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H+Na"	23.996494
"1054426"	97.04349	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2H+Na"	25.00377
"1258290"	299.160186	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+CH3OH+H"	33.033486
"380510"	571.216558	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+K"	38.963158
"744423"	837.343258	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+K"	38.963158
"1545381"	305.089858	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+K"	38.963158
"308024"	286.111917	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+H+K"	39.970434
"700445"	419.175267	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+H+K"	39.970434
"1457546"	153.048567	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H+K"	39.970434
"251406"	574.287226	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+ACN+H"	42.033826
"1222136"	308.160526	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+ACN+H"	42.033826
"1206748"	154.583901	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+ACN+2H"	43.041102
"201077"	577.22456	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+2Na-H"	44.97116
"644197"	843.35126	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+2Na-H"	44.97116
"1146952"	311.09786	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2Na-H"	44.97116
"186345"	289.115918	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+2Na"	45.978436
"623721"	422.179268	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+2Na"	45.978436
"1129784"	156.052568	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2Na"	45.978436
"1411846"	104.370804	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H+2Na"	46.985712
"1445304"	313.139446	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H+HCOOH"	47.012746
"234389"	294.14894	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+3H2O+2H"	56.04448
"1523918"	327.19149	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+IsoProp+H"	61.06479
"424049"	297.102888	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+Na+K"	61.952376
"784476"	430.166238	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+Na+K"	61.952376
"1676558"	164.039538	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Na+K"	61.952376
"263075"	596.269168	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+ACN+Na"	64.015768
"1234693"	330.142468	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+ACN+Na"	64.015768
"1723577"	330.165993	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+NH4+HCOOH"	64.039293
"1186745"	111.698118	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+3Na"	68.967654
"1657733"	335.121388	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Na+HCOOH"	68.994688
"162407"	609.17244	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+2K-H"	76.91904
"607435"	875.29914	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+2K-H"	76.91904
"1093041"	343.04574	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2K-H"	76.91904
"155934"	305.089858	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"2M+2K"	77.926316
"587228"	438.153208	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"3M+2K"	77.926316
"1076116"	172.026508	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2K"	77.926316
"1112606"	345.060292	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2K+H"	78.933592
"1351069"	345.147907	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+DMSO+H"	79.021207
"1020319"	349.187076	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2ACN+H"	83.060376
"1539052"	350.180708	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+IsoProp+Na+H"	84.054008
"1005505"	175.097176	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+2ACN+2H"	84.067652
"1598783"	351.095328	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+K+HCOOH"	84.968628
"1425534"	381.126838	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+H+CF3COOH"	115.000138
"1150357"	195.610451	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+3ACN+2H"	125.094202
"1699908"	398.153385	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+NH4+CF3COOH"	132.026685
"1641026"	403.10878	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+Na+CF3COOH"	136.98208
"1583239"	419.08272	"C20926"	"gamma-Glutamyltyramine;gamma-L-Glutamyltyramine"	"C13H18N2O4"	"266.1267"	"M+K+CF3COOH"	152.95602
"803762"	396.0951	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M"	0
"984954"	377.07671	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-H2O-H"	-19.01839
"69915"	263.056124	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M-3H"	-3.021828
"507288"	395.087824	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M-3H"	-3.021828
"885090"	131.024424	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-3H"	-3.021828
"13507"	395.087824	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M-2H"	-2.014552
"454896"	593.135374	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M-2H"	-2.014552
"828688"	197.040274	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-2H"	-2.014552
"93053"	791.182924	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M-H"	-1.007276
"531520"	1187.278024	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M-H"	-1.007276
"901664"	395.087824	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-H"	-1.007276
"51663"	808.209471	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M-2H+NH4"	16.019271
"490500"	1204.304571	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M-2H+NH4"	16.019271
"870126"	412.114371	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-2H+NH4"	16.019271
"34745"	813.164866	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M-2H+Na"	20.974666
"481963"	1209.259966	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M-2H+Na"	20.974666
"861958"	417.069766	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-2H+Na"	20.974666
"1629304"	417.069766	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Na-2H"	20.974666
"105834"	413.076163	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M-H+Cl"	33.962126
"544301"	611.123713	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M-H+Cl"	33.962126
"940003"	215.028613	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-H+Cl"	33.962126
"279653"	827.159602	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+Cl"	34.969402
"673535"	1223.254702	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+Cl"	34.969402
"1287394"	431.064502	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Cl"	34.969402
"30312"	829.138806	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M-2H+K"	36.948606
"467687"	1225.233906	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M-2H+K"	36.948606
"844394"	433.043706	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-2H+K"	36.948606
"1570434"	433.043706	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+K-2H"	36.948606
"954670"	441.093294	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-H+HCOOH"	44.998194
"373980"	837.188401	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+HCOOH-H"	44.998201
"354582"	851.204051	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+Hac-H"	59.013851
"1496853"	455.108951	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Hac-H"	59.013851
"969862"	463.075251	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-H+NaCOOH"	66.980151
"124606"	431.064502	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+2Cl"	69.938804
"562706"	629.112052	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+2Cl"	69.938804
"1031504"	233.016952	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2Cl"	69.938804
"1249990"	475.013985	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Br"	78.918885
"1310252"	477.069972	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Cl+HCOOH"	80.974872
"1327748"	499.051929	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Cl+NaCOOH"	102.956829
"919899"	509.080686	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M-H+CF3COOH"	112.985586
"1295518"	545.057364	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Cl+CF3COOH"	148.962264
"1380243"	361.082424	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H-2H2O"	-35.012676
"1386804"	379.0924	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H-H2O"	-17.0027
"291958"	793.197476	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+H"	1.007276
"685473"	1189.292576	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+H"	1.007276
"1365471"	397.102376	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H"	1.007276
"137996"	397.102376	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+2H"	2.014552
"575375"	595.149926	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+2H"	2.014552
"1049282"	199.054826	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2H"	2.014552
"215729"	265.070676	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+3H"	3.021828
"648364"	397.102376	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+3H"	3.021828
"1174140"	133.038976	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+3H"	3.021828
"431946"	810.224023	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+NH4"	18.033823
"790757"	1206.319123	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+NH4"	18.033823
"1683805"	414.128923	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+NH4"	18.033823
"337547"	405.6156495	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+H+NH4"	19.041099
"731062"	603.6631995	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+H+NH4"	19.041099
"1483792"	207.5680995	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H+NH4"	19.041099
"400280"	815.179418	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+Na"	22.989218
"764558"	1211.274518	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+Na"	22.989218
"1605130"	419.084318	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Na"	22.989218
"317236"	408.093347	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+H+Na"	23.996494
"710751"	606.140897	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+H+Na"	23.996494
"1464572"	210.045797	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H+Na"	23.996494
"1054538"	140.36629	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2H+Na"	25.00377
"1263870"	429.128586	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+CH3OH+H"	33.033486
"382445"	831.153358	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+K"	38.963158
"745628"	1227.248458	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+K"	38.963158
"1547678"	435.058258	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+K"	38.963158
"305947"	416.080317	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+H+K"	39.970434
"703836"	614.127867	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+H+K"	39.970434
"1457656"	218.032767	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H+K"	39.970434
"249903"	834.224026	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+ACN+H"	42.033826
"1220059"	438.128926	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+ACN+H"	42.033826
"1203942"	219.568101	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+ACN+2H"	43.041102
"194626"	837.16136	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+2Na-H"	44.97116
"642936"	1233.25646	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+2Na-H"	44.97116
"1145232"	441.06626	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2Na-H"	44.97116
"188037"	419.084318	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+2Na"	45.978436
"623831"	617.131868	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+2Na"	45.978436
"1131194"	221.036768	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2Na"	45.978436
"1412692"	147.693604	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H+2Na"	46.985712
"1445555"	443.107846	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H+HCOOH"	47.012746
"235231"	424.11734	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+3H2O+2H"	56.04448
"1520745"	457.15989	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+IsoProp+H"	61.06479
"423587"	427.071288	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+Na+K"	61.952376
"781427"	625.118838	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+Na+K"	61.952376
"1676667"	229.023738	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Na+K"	61.952376
"261000"	856.205968	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+ACN+Na"	64.015768
"1236989"	460.110868	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+ACN+Na"	64.015768
"1716760"	460.134393	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+NH4+HCOOH"	64.039293
"1183573"	155.020918	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+3Na"	68.967654
"1655655"	465.089788	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Na+HCOOH"	68.994688
"162149"	869.10924	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+2K-H"	76.91904
"601709"	1265.20434	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+2K-H"	76.91904
"1088045"	473.01414	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2K-H"	76.91904
"149965"	435.058258	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"2M+2K"	77.926316
"591713"	633.105808	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"3M+2K"	77.926316
"1083976"	237.010708	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2K"	77.926316
"1115486"	475.028692	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2K+H"	78.933592
"1351236"	475.116307	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+DMSO+H"	79.021207
"1020916"	479.155476	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2ACN+H"	83.060376
"1539773"	480.149108	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+IsoProp+Na+H"	84.054008
"1002202"	240.081376	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+2ACN+2H"	84.067652
"1598892"	481.063728	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+K+HCOOH"	84.968628
"1424551"	511.095238	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+H+CF3COOH"	115.000138
"1154842"	260.594651	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+3ACN+2H"	125.094202
"1700018"	528.121785	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+NH4+CF3COOH"	132.026685
"1640043"	533.07718	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+Na+CF3COOH"	136.98208
"1583349"	549.05112	"C20927"	"Sulfazecin;SQ 26445"	"C12H20N4O9S"	"396.0951"	"M+K+CF3COOH"	152.95602
"803872"	410.1107	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M"	0
"987250"	391.09231	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-H2O-H"	-19.01839
"70025"	272.399857333333	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M-3H"	-3.021828
"507398"	409.103424	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M-3H"	-3.021828
"891761"	135.696290666667	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-3H"	-3.021828
"13617"	409.103424	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M-2H"	-2.014552
"453671"	614.158774	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M-2H"	-2.014552
"830743"	204.048074	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-2H"	-2.014552
"93530"	819.214124	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M-H"	-1.007276
"532604"	1229.324824	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M-H"	-1.007276
"902867"	409.103424	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-H"	-1.007276
"50680"	836.240671	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M-2H+NH4"	16.019271
"492431"	1246.351371	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M-2H+NH4"	16.019271
"869142"	426.129971	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-2H+NH4"	16.019271
"33397"	841.196066	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M-2H+Na"	20.974666
"479887"	1251.306766	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M-2H+Na"	20.974666
"857690"	431.085366	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-2H+Na"	20.974666
"1632935"	431.085366	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Na-2H"	20.974666
"108128"	427.091763	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M-H+Cl"	33.962126
"543318"	632.147113	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M-H+Cl"	33.962126
"937926"	222.036413	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-H+Cl"	33.962126
"279399"	855.190802	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+Cl"	34.969402
"673276"	1265.301502	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+Cl"	34.969402
"1284585"	445.080102	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Cl"	34.969402
"27142"	857.170006	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M-2H+K"	36.948606
"469623"	1267.280706	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M-2H+K"	36.948606
"842316"	447.059306	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-2H+K"	36.948606
"1569085"	447.059306	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+K-2H"	36.948606
"955875"	455.108894	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-H+HCOOH"	44.998194
"374090"	865.219601	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+HCOOH-H"	44.998201
"354692"	879.235251	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+Hac-H"	59.013851
"1504983"	469.124551	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Hac-H"	59.013851
"971068"	477.090851	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-H+NaCOOH"	66.980151
"124716"	445.080102	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+2Cl"	69.938804
"559537"	650.135452	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+2Cl"	69.938804
"1031616"	240.024752	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2Cl"	69.938804
"1255568"	489.029585	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Br"	78.918885
"1313642"	491.085572	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Cl+HCOOH"	80.974872
"1331138"	513.067529	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Cl+NaCOOH"	102.956829
"921102"	523.096286	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M-H+CF3COOH"	112.985586
"1299998"	559.072964	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Cl+CF3COOH"	148.962264
"1374882"	375.098024	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H-2H2O"	-35.012676
"1390194"	393.108	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H-H2O"	-17.0027
"288787"	821.228676	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+H"	1.007276
"685583"	1231.339376	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+H"	1.007276
"1364123"	411.117976	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H"	1.007276
"131545"	411.117976	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+2H"	2.014552
"573298"	616.173326	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+2H"	2.014552
"1050121"	206.062626	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2H"	2.014552
"213287"	274.414409333333	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+3H"	3.021828
"651752"	411.117976	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+3H"	3.021828
"1174616"	137.710842666667	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+3H"	3.021828
"430963"	838.255223	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+NH4"	18.033823
"794146"	1248.365923	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+NH4"	18.033823
"1683915"	428.144523	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+NH4"	18.033823
"333283"	419.6312495	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+H+NH4"	19.041099
"726798"	624.6865995	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+H+NH4"	19.041099
"1481715"	214.5758995	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H+NH4"	19.041099
"400390"	843.210618	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+Na"	22.989218
"762482"	1253.321318	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+Na"	22.989218
"1605242"	433.099918	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Na"	22.989218
"316253"	422.108947	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+H+Na"	23.996494
"710861"	627.164297	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+H+Na"	23.996494
"1464682"	217.053597	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H+Na"	23.996494
"1055741"	145.038156666667	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2H+Na"	25.00377
"1263980"	443.144186	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+CH3OH+H"	33.033486
"389115"	859.184558	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+K"	38.963158
"750111"	1269.295258	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+K"	38.963158
"1552891"	449.073858	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+K"	38.963158
"306057"	430.095917	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+H+K"	39.970434
"705284"	635.151267	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+H+K"	39.970434
"1457766"	225.040567	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H+K"	39.970434
"249649"	862.255226	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+ACN+H"	42.033826
"1220169"	452.144526	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+ACN+H"	42.033826
"1203688"	226.575901	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+ACN+2H"	43.041102
"199109"	865.19256	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+2Na-H"	44.97116
"642318"	1275.30326	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+2Na-H"	44.97116
"1144369"	455.08186	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2Na-H"	44.97116
"185837"	433.099918	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+2Na"	45.978436
"622848"	638.155268	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+2Na"	45.978436
"1130492"	228.044568	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2Na"	45.978436
"1413530"	152.365470666667	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H+2Na"	46.985712
"1444915"	457.123446	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H+HCOOH"	47.012746
"235219"	438.13294	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+3H2O+2H"	56.04448
"1519762"	471.17549	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+IsoProp+H"	61.06479
"423453"	441.086888	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+Na+K"	61.952376
"781537"	646.142238	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+Na+K"	61.952376
"1680054"	236.031538	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Na+K"	61.952376
"265481"	884.237168	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+ACN+Na"	64.015768
"1238193"	474.126468	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+ACN+Na"	64.015768
"1717601"	474.149993	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+NH4+HCOOH"	64.039293
"1190245"	159.692784666667	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+3Na"	68.967654
"1657953"	479.105388	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Na+HCOOH"	68.994688
"160194"	897.14044	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+2K-H"	76.91904
"602185"	1307.25114	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+2K-H"	76.91904
"1089980"	487.02974	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2K-H"	76.91904
"146794"	449.073858	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"2M+2K"	77.926316
"589636"	654.129208	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"3M+2K"	77.926316
"1084087"	244.018508	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2K"	77.926316
"1115306"	489.044292	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2K+H"	78.933592
"1351247"	489.131907	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+DMSO+H"	79.021207
"1020784"	493.171076	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2ACN+H"	83.060376
"1539274"	494.164708	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+IsoProp+Na+H"	84.054008
"1002311"	247.089176	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+2ACN+2H"	84.067652
"1594626"	495.079328	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+K+HCOOH"	84.968628
"1427577"	525.110838	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+H+CF3COOH"	115.000138
"1153860"	267.602451	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+3ACN+2H"	125.094202
"1704503"	542.137385	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+NH4+CF3COOH"	132.026685
"1640153"	547.09278	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+Na+CF3COOH"	136.98208
"1583459"	563.06672	"C20928"	"MM 42842"	"C13H22N4O9S"	"410.1107"	"M+K+CF3COOH"	152.95602
"803984"	149.0688	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M"	0
"976423"	130.05041	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-H2O-H"	-19.01839
"73413"	98.371924	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M-3H"	-3.021828
"517958"	148.061524	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M-3H"	-3.021828
"891869"	48.682324	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-3H"	-3.021828
"15428"	148.061524	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M-2H"	-2.014552
"452556"	222.595924	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M-2H"	-2.014552
"831091"	73.527124	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-2H"	-2.014552
"84524"	297.130324	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M-H"	-1.007276
"520439"	446.199124	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M-H"	-1.007276
"898240"	148.061524	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-H"	-1.007276
"50061"	314.156871	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M-2H+NH4"	16.019271
"499108"	463.225671	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M-2H+NH4"	16.019271
"868889"	165.088071	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-2H+NH4"	16.019271
"44692"	319.112266	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M-2H+Na"	20.974666
"485468"	468.181066	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M-2H+Na"	20.974666
"862176"	170.043466	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-2H+Na"	20.974666
"1631344"	170.043466	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Na-2H"	20.974666
"103865"	166.049863	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M-H+Cl"	33.962126
"546706"	240.584263	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M-H+Cl"	33.962126
"939129"	91.515463	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-H+Cl"	33.962126
"279509"	333.107002	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+Cl"	34.969402
"671201"	482.175802	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+Cl"	34.969402
"1285788"	184.038202	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Cl"	34.969402
"29441"	335.086206	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M-2H+K"	36.948606
"467906"	484.155006	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M-2H+K"	36.948606
"845707"	186.017406	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-2H+K"	36.948606
"1568832"	186.017406	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+K-2H"	36.948606
"951614"	194.066994	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-H+HCOOH"	44.998194
"372743"	343.135801	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+HCOOH-H"	44.998201
"354804"	357.151451	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+Hac-H"	59.013851
"1503272"	208.082651	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Hac-H"	59.013851
"969722"	216.048951	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-H+NaCOOH"	66.980151
"120090"	184.038202	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+2Cl"	69.938804
"562199"	258.572602	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+2Cl"	69.938804
"1035009"	109.503802	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2Cl"	69.938804
"1253492"	227.987685	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Br"	78.918885
"1317398"	230.043672	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Cl+HCOOH"	80.974872
"1330154"	252.025629	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Cl+NaCOOH"	102.956829
"924131"	262.054386	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M-H+CF3COOH"	112.985586
"1292092"	298.031064	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Cl+CF3COOH"	148.962264
"1376089"	114.056124	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H-2H2O"	-35.012676
"1389209"	132.0661	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H-H2O"	-17.0027
"290000"	299.144876	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+H"	1.007276
"683517"	448.213676	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+H"	1.007276
"1362054"	150.076076	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H"	1.007276
"138226"	150.076076	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+2H"	2.014552
"574504"	224.610476	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+2H"	2.014552
"1049139"	75.541676	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2H"	2.014552
"214490"	100.386476	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+3H"	3.021828
"650768"	150.076076	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+3H"	3.021828
"1171080"	50.696876	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+3H"	3.021828
"428884"	316.171423	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+NH4"	18.033823
"793158"	465.240223	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+NH4"	18.033823
"1690582"	167.102623	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+NH4"	18.033823
"335581"	158.5893495	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+H+NH4"	19.041099
"729100"	233.1237495	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+H+NH4"	19.041099
"1480003"	84.0549495	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H+NH4"	19.041099
"400512"	321.126818	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+Na"	22.989218
"760417"	470.195618	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+Na"	22.989218
"1610703"	172.058018	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Na"	22.989218
"325114"	161.067047	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+H+Na"	23.996494
"716441"	235.601447	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+H+Na"	23.996494
"1465887"	86.532647	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H+Na"	23.996494
"1059132"	58.02419	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2H+Na"	25.00377
"1264090"	182.102286	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+CH3OH+H"	33.033486
"387038"	337.100758	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+K"	38.963158
"750220"	486.169558	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+K"	38.963158
"1550087"	188.031958	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+K"	38.963158
"307990"	169.054017	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+H+K"	39.970434
"703328"	243.588417	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+H+K"	39.970434
"1458971"	94.519617	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H+K"	39.970434
"246843"	340.171426	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+ACN+H"	42.033826
"1221009"	191.102626	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+ACN+H"	42.033826
"1200885"	96.054951	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+ACN+2H"	43.041102
"199953"	343.10876	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+2Na-H"	44.97116
"635505"	492.17756	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+2Na-H"	44.97116
"1142294"	194.03996	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2Na-H"	44.97116
"186686"	172.058018	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+2Na"	45.978436
"625516"	246.592418	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+2Na"	45.978436
"1129023"	97.523618	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2Na"	45.978436
"1406719"	65.351504	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H+2Na"	46.985712
"1442842"	196.081546	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H+HCOOH"	47.012746
"231809"	177.09104	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+3H2O+2H"	56.04448
"1517684"	210.13359	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+IsoProp+H"	61.06479
"421744"	180.044988	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+Na+K"	61.952376
"782742"	254.579388	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+Na+K"	61.952376
"1676883"	105.510588	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Na+K"	61.952376
"261217"	362.153368	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+ACN+Na"	64.015768
"1237209"	213.084568	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+ACN+Na"	64.015768
"1722816"	213.108093	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+NH4+HCOOH"	64.039293
"1189262"	72.678818	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+3Na"	68.967654
"1653322"	218.063488	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Na+HCOOH"	68.994688
"160547"	375.05664	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+2K-H"	76.91904
"599743"	524.12544	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+2K-H"	76.91904
"1088629"	225.98784	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2K-H"	76.91904
"146176"	188.031958	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"2M+2K"	77.926316
"587559"	262.566358	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"3M+2K"	77.926316
"1080821"	113.497558	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2K"	77.926316
"1115416"	228.002392	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2K+H"	78.933592
"1351223"	228.090007	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+DMSO+H"	79.021207
"1021314"	232.129176	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2ACN+H"	83.060376
"1538650"	233.122808	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+IsoProp+Na+H"	84.054008
"999140"	116.568226	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+2ACN+2H"	84.067652
"1595830"	234.037428	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+K+HCOOH"	84.968628
"1423679"	264.068938	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+H+CF3COOH"	115.000138
"1149595"	137.081501	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+3ACN+2H"	125.094202
"1702426"	281.095485	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+NH4+CF3COOH"	132.026685
"1636979"	286.05088	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+Na+CF3COOH"	136.98208
"1574821"	302.02482	"C20931"	"4-Amino-4-deoxy-L-arabinose;L-Ara4N"	"C5H11NO4"	"149.0688"	"M+K+CF3COOH"	152.95602
"804094"	2081.1846	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M"	0
"977627"	2062.16621	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-H2O-H"	-19.01839
"73523"	1386.449124	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M-3H"	-3.021828
"516364"	2080.177324	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M-3H"	-3.021828
"894166"	692.720924	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-3H"	-3.021828
"15563"	2080.177324	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M-2H"	-2.014552
"455543"	3120.769624	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M-2H"	-2.014552
"832295"	1039.585024	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-2H"	-2.014552
"87914"	4161.361924	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M-H"	-1.007276
"524193"	6242.546524	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M-H"	-1.007276
"900901"	2080.177324	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-H"	-1.007276
"55276"	4178.388471	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M-2H+NH4"	16.019271
"499218"	6259.573071	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M-2H+NH4"	16.019271
"869363"	2097.203871	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-2H+NH4"	16.019271
"46504"	4183.343866	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M-2H+Na"	20.974666
"480108"	6264.528466	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M-2H+Na"	20.974666
"863017"	2102.159266	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-2H+Na"	20.974666
"1633157"	2102.159266	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Na-2H"	20.974666
"108836"	2098.165663	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M-H+Cl"	33.962126
"548518"	3138.757963	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M-H+Cl"	33.962126
"941551"	1057.573363	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-H+Cl"	33.962126
"281320"	4197.338602	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+Cl"	34.969402
"674348"	6278.523202	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+Cl"	34.969402
"1287601"	2116.154002	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Cl"	34.969402
"28457"	4199.317806	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M-2H+K"	36.948606
"466923"	6280.502406	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M-2H+K"	36.948606
"847884"	2118.133206	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-2H+K"	36.948606
"1568213"	2118.133206	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+K-2H"	36.948606
"954640"	2126.182794	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-H+HCOOH"	44.998194
"371030"	4207.367401	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+HCOOH-H"	44.998201
"353820"	4221.383051	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+Hac-H"	59.013851
"1503746"	2140.198451	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Hac-H"	59.013851
"970196"	2148.164751	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-H+NaCOOH"	66.980151
"120200"	2116.154002	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+2Cl"	69.938804
"560850"	3156.746302	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+2Cl"	69.938804
"1031837"	1075.561702	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2Cl"	69.938804
"1253968"	2160.103485	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Br"	78.918885
"1316779"	2162.159472	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Cl+HCOOH"	80.974872
"1334520"	2184.141429	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Cl+NaCOOH"	102.956829
"923877"	2194.170186	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M-H+CF3COOH"	112.985586
"1294754"	2230.146864	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Cl+CF3COOH"	148.962264
"1370730"	2046.171924	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H-2H2O"	-35.012676
"1388225"	2064.1819	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H-H2O"	-17.0027
"294483"	4163.376476	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+H"	1.007276
"685815"	6244.561076	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+H"	1.007276
"1361071"	2082.191876	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H"	1.007276
"135784"	2082.191876	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+2H"	2.014552
"574616"	3122.784176	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+2H"	2.014552
"1047789"	1041.599576	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2H"	2.014552
"213505"	1388.463676	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+3H"	3.021828
"651971"	2082.191876	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+3H"	3.021828
"1173378"	694.735476	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+3H"	3.021828
"428995"	4180.403023	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+NH4"	18.033823
"793268"	6261.587623	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+NH4"	18.033823
"1693972"	2099.218423	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+NH4"	18.033823
"336784"	2090.7051495	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+H+NH4"	19.041099
"731398"	3131.2974495	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+H+NH4"	19.041099
"1480842"	1050.1128495	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H+NH4"	19.041099
"399530"	4185.358418	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+Na"	22.989218
"760527"	6266.543018	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+Na"	22.989218
"1609720"	2104.173818	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Na"	22.989218
"324131"	2093.182847	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+H+Na"	23.996494
"717644"	3133.775147	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+H+Na"	23.996494
"1472558"	1052.590547	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H+Na"	23.996494
"1061429"	702.06279	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2H+Na"	25.00377
"1263107"	2114.218086	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+CH3OH+H"	33.033486
"386054"	4201.332358	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+K"	38.963158
"749236"	6282.516958	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+K"	38.963158
"1551290"	2120.147758	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+K"	38.963158
"306277"	2101.169817	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+H+K"	39.970434
"704532"	3141.762117	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+H+K"	39.970434
"1456530"	1060.577517	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H+K"	39.970434
"249141"	4204.403026	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+ACN+H"	42.033826
"1222943"	2123.218426	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+ACN+H"	42.033826
"1200995"	1062.112851	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+ACN+2H"	43.041102
"197148"	4207.34036	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+2Na-H"	44.97116
"641450"	6288.52496	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+2Na-H"	44.97116
"1141311"	2126.15576	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2Na-H"	44.97116
"185703"	2104.173818	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+2Na"	45.978436
"624533"	3144.766118	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+2Na"	45.978436
"1128038"	1063.581518	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2Na"	45.978436
"1411928"	709.390104	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H+2Na"	46.985712
"1443315"	2128.197346	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H+HCOOH"	47.012746
"234103"	2109.20684	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+3H2O+2H"	56.04448
"1516700"	2142.24939	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+IsoProp+H"	61.06479
"418574"	2112.160788	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+Na+K"	61.952376
"779573"	3152.753088	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+Na+K"	61.952376
"1676993"	1071.568488	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Na+K"	61.952376
"260234"	4226.384968	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+ACN+Na"	64.015768
"1230760"	2145.200368	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+ACN+Na"	64.015768
"1720738"	2145.223893	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+NH4+HCOOH"	64.039293
"1187187"	716.717418	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+3Na"	68.967654
"1653796"	2150.179288	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Na+HCOOH"	68.994688
"161385"	4239.28824	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+2K-H"	76.91904
"602403"	6320.47284	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+2K-H"	76.91904
"1087280"	2158.10364	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2K-H"	76.91904
"146648"	2120.147758	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"2M+2K"	77.926316
"587669"	3160.740058	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"3M+2K"	77.926316
"1082758"	1079.555458	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2K"	77.926316
"1114019"	2160.118192	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2K+H"	78.933592
"1351057"	2160.205807	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+DMSO+H"	79.021207
"1021167"	2164.244976	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2ACN+H"	83.060376
"1538272"	2165.238608	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+IsoProp+Na+H"	84.054008
"995970"	1082.626126	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+2ACN+2H"	84.067652
"1594847"	2166.153228	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+K+HCOOH"	84.968628
"1423789"	2196.184738	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+H+CF3COOH"	115.000138
"1152985"	1103.139401	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+3ACN+2H"	125.094202
"1701443"	2213.211285	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+NH4+CF3COOH"	132.026685
"1634903"	2218.16668	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+Na+CF3COOH"	136.98208
"1574931"	2234.14062	"C20933"	"(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A);Palmitoleoyl-KDO2-lipid IV(A)"	"C100H182N2O38P2"	"2081.1846"	"M+K+CF3COOH"	152.95602
"804204"	268.0794	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M"	0
"977737"	249.06101	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-H2O-H"	-19.01839
"70353"	177.712324	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M-3H"	-3.021828
"511007"	267.072124	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M-3H"	-3.021828
"888809"	88.352524	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-3H"	-3.021828
"13946"	267.072124	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M-2H"	-2.014552
"453141"	401.111824	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M-2H"	-2.014552
"832404"	133.032424	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-2H"	-2.014552
"85838"	535.151524	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M-H"	-1.007276
"521024"	803.230924	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M-H"	-1.007276
"898096"	267.072124	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-H"	-1.007276
"49918"	552.178071	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M-2H+NH4"	16.019271
"488748"	820.257471	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M-2H+NH4"	16.019271
"866554"	284.098671	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-2H+NH4"	16.019271
"46735"	557.133466	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M-2H+Na"	20.974666
"481311"	825.212866	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M-2H+Na"	20.974666
"863904"	289.054066	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-2H+Na"	20.974666
"1634044"	289.054066	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Na-2H"	20.974666
"108095"	285.060463	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M-H+Cl"	33.962126
"549601"	419.100163	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M-H+Cl"	33.962126
"942430"	151.020763	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-H+Cl"	33.962126
"281186"	571.128202	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+Cl"	34.969402
"674700"	839.207602	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+Cl"	34.969402
"1286010"	303.048802	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Cl"	34.969402
"27474"	573.107406	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M-2H+K"	36.948606
"468126"	841.186806	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M-2H+K"	36.948606
"848075"	305.028006	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-2H+K"	36.948606
"1568326"	305.028006	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+K-2H"	36.948606
"954750"	313.077594	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-H+HCOOH"	44.998194
"371140"	581.157001	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+HCOOH-H"	44.998201
"353930"	595.172651	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+Hac-H"	59.013851
"1500576"	327.093251	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Hac-H"	59.013851
"970306"	335.059551	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-H+NaCOOH"	66.980151
"120310"	303.048802	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+2Cl"	69.938804
"560960"	437.088502	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+2Cl"	69.938804
"1031947"	169.009102	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2Cl"	69.938804
"1255171"	346.998285	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Br"	78.918885
"1317253"	349.054272	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Cl+HCOOH"	80.974872
"1334873"	371.036229	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Cl+NaCOOH"	102.956829
"925080"	381.064986	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M-H+CF3COOH"	112.985586
"1295957"	417.041664	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Cl+CF3COOH"	148.962264
"1370840"	233.066724	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H-2H2O"	-35.012676
"1387241"	251.0767	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H-H2O"	-17.0027
"293500"	537.166076	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+H"	1.007276
"681553"	805.245476	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+H"	1.007276
"1356809"	269.086676	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H"	1.007276
"130792"	269.086676	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+2H"	2.014552
"571446"	403.126376	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+2H"	2.014552
"1046078"	135.046976	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2H"	2.014552
"210334"	179.726876	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+3H"	3.021828
"650987"	269.086676	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+3H"	3.021828
"1170206"	90.367076	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+3H"	3.021828
"426917"	554.192623	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+NH4"	18.033823
"789366"	822.272023	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+NH4"	18.033823
"1690802"	286.113223	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+NH4"	18.033823
"336894"	277.5999495	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+H+NH4"	19.041099
"728226"	411.6396495	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+H+NH4"	19.041099
"1479129"	143.5602495	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H+NH4"	19.041099
"404012"	559.148018	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+Na"	22.989218
"760636"	827.227418	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+Na"	22.989218
"1610923"	291.068618	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Na"	22.989218
"322054"	280.077647	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+H+Na"	23.996494
"717754"	414.117347	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+H+Na"	23.996494
"1468294"	146.037947	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H+Na"	23.996494
"1060445"	97.69439	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2H+Na"	25.00377
"1264310"	301.112886	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+CH3OH+H"	33.033486
"382884"	575.121958	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+K"	38.963158
"747159"	843.201358	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+K"	38.963158
"1548120"	307.042558	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+K"	38.963158
"307481"	288.064617	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+H+K"	39.970434
"700633"	422.104317	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+H+K"	39.970434
"1454818"	154.024917	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H+K"	39.970434
"247791"	578.192626	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+ACN+H"	42.033826
"1223053"	310.113226	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+ACN+H"	42.033826
"1199283"	155.560251	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+ACN+2H"	43.041102
"193978"	581.12996	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+2Na-H"	44.97116
"637914"	849.20936	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+2Na-H"	44.97116
"1143243"	313.05056	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2Na-H"	44.97116
"186174"	291.068618	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+2Na"	45.978436
"624277"	425.108318	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+2Na"	45.978436
"1125595"	157.028918	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2Na"	45.978436
"1409849"	105.021704	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H+2Na"	46.985712
"1443789"	315.092146	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H+HCOOH"	47.012746
"234213"	296.10164	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+3H2O+2H"	56.04448
"1513530"	329.14419	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+IsoProp+H"	61.06479
"414309"	299.055588	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+Na+K"	61.952376
"778586"	433.095288	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+Na+K"	61.952376
"1670542"	165.015888	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Na+K"	61.952376
"259250"	600.174568	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+ACN+Na"	64.015768
"1229776"	332.095168	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+ACN+Na"	64.015768
"1718660"	332.118693	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+NH4+HCOOH"	64.039293
"1182922"	112.349018	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+3Na"	68.967654
"1653544"	337.074088	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Na+HCOOH"	68.994688
"160767"	613.07784	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+2K-H"	76.91904
"599966"	881.15724	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+2K-H"	76.91904
"1087755"	344.99844	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2K-H"	76.91904
"143477"	307.042558	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"2M+2K"	77.926316
"591062"	441.082258	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"3M+2K"	77.926316
"1076666"	173.002858	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2K"	77.926316
"1108782"	347.012992	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2K+H"	78.933592
"1349541"	347.100607	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+DMSO+H"	79.021207
"1018072"	351.139776	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2ACN+H"	83.060376
"1535101"	352.133408	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+IsoProp+Na+H"	84.054008
"996081"	176.073526	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+2ACN+2H"	84.067652
"1592772"	353.048028	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+K+HCOOH"	84.968628
"1423900"	383.079538	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+H+CF3COOH"	115.000138
"1150908"	196.586801	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+3ACN+2H"	125.094202
"1705927"	400.106085	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+NH4+CF3COOH"	132.026685
"1637202"	405.06148	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+Na+CF3COOH"	136.98208
"1575040"	421.03542	"C20934"	"3-Deoxy-D-glycero-D-galacto-non-2-ulosonic acid;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;KDN;Deaminated neuraminic acid;Ketodeoxynonulonic acid;3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid"	"C9H16O9"	"268.0794"	"M+K+CF3COOH"	152.95602
"810877"	1165.1008	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M"	0
"981129"	1146.08241	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-H2O-H"	-19.01839
"67184"	775.726590666667	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M-3H"	-3.021828
"511118"	1164.093524	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M-3H"	-3.021828
"888920"	387.359657333333	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-3H"	-3.021828
"7493"	1164.093524	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M-2H"	-2.014552
"452526"	1746.643924	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M-2H"	-2.014552
"818306"	581.543124	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-2H"	-2.014552
"83763"	2329.194324	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M-H"	-1.007276
"521138"	3494.295124	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M-H"	-1.007276
"898209"	1164.093524	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-H"	-1.007276
"50395"	2346.220871	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M-2H+NH4"	16.019271
"488498"	3511.321671	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M-2H+NH4"	16.019271
"877250"	1181.120071	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-2H+NH4"	16.019271
"45878"	2351.176266	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M-2H+Na"	20.974666
"486166"	3516.277066	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M-2H+Na"	20.974666
"863601"	1186.075466	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-2H+Na"	20.974666
"1633866"	1186.075466	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Na-2H"	20.974666
"107477"	1182.081863	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M-H+Cl"	33.962126
"548862"	1764.632263	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M-H+Cl"	33.962126
"941284"	599.531463	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-H+Cl"	33.962126
"281178"	2365.171002	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+Cl"	34.969402
"674084"	3530.271802	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+Cl"	34.969402
"1286118"	1200.070202	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Cl"	34.969402
"28678"	2367.150206	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M-2H+K"	36.948606
"467144"	3532.251006	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M-2H+K"	36.948606
"844949"	1202.049406	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-2H+K"	36.948606
"1565155"	1202.049406	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+K-2H"	36.948606
"953039"	1210.098994	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-H+HCOOH"	44.998194
"373074"	2375.199801	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+HCOOH-H"	44.998201
"357320"	2389.215451	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+Hac-H"	59.013851
"1501785"	1224.114651	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Hac-H"	59.013851
"967140"	1232.080951	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-H+NaCOOH"	66.980151
"119327"	1200.070202	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+2Cl"	69.938804
"559980"	1782.620602	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+2Cl"	69.938804
"1032059"	617.519802	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2Cl"	69.938804
"1254553"	1244.019685	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Br"	78.918885
"1316271"	1246.075672	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Cl+HCOOH"	80.974872
"1331581"	1268.057629	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Cl+NaCOOH"	102.956829
"914988"	1278.086386	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M-H+CF3COOH"	112.985586
"1296437"	1314.063064	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Cl+CF3COOH"	148.962264
"1372045"	1130.088124	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H-2H2O"	-35.012676
"1391740"	1148.0981	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H-H2O"	-17.0027
"289241"	2331.208876	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+H"	1.007276
"684578"	3496.309676	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+H"	1.007276
"1358014"	1166.108076	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H"	1.007276
"129808"	1166.108076	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+2H"	2.014552
"568276"	1748.658476	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+2H"	2.014552
"1042545"	583.557676	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2H"	2.014552
"204974"	777.741142666667	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+3H"	3.021828
"648911"	1166.108076	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+3H"	3.021828
"1168130"	389.374209333333	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+3H"	3.021828
"435775"	2348.235423	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+NH4"	18.033823
"788023"	3513.336223	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+NH4"	18.033823
"1686541"	1183.134623	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+NH4"	18.033823
"334821"	1174.6213495	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+H+NH4"	19.041099
"727243"	1757.1717495	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+H+NH4"	19.041099
"1483257"	592.0709495	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H+NH4"	19.041099
"397566"	2353.190818	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+Na"	22.989218
"759654"	3518.291618	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+Na"	22.989218
"1608846"	1188.090018	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Na"	22.989218
"322164"	1177.099047	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+H+Na"	23.996494
"715679"	1759.649447	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+H+Na"	23.996494
"1468404"	594.548647	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H+Na"	23.996494
"1061649"	396.701523333333	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2H+Na"	25.00377
"1264420"	1198.134286	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+CH3OH+H"	33.033486
"382995"	2369.164758	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+K"	38.963158
"746176"	3534.265558	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+K"	38.963158
"1550415"	1204.063958	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+K"	38.963158
"307591"	1185.086017	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+H+K"	39.970434
"701106"	1767.636417	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+H+K"	39.970434
"1453834"	602.535617	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H+K"	39.970434
"246809"	2372.235426	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+ACN+H"	42.033826
"1218430"	1207.134626	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+ACN+H"	42.033826
"1201217"	604.070951	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+ACN+2H"	43.041102
"200288"	2375.17276	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+2Na-H"	44.97116
"639484"	3540.27356	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+2Na-H"	44.97116
"1141535"	1210.07196	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2Na-H"	44.97116
"185554"	1188.090018	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+2Na"	45.978436
"615638"	1770.640418	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+2Na"	45.978436
"1127164"	605.539618	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2Na"	45.978436
"1407772"	404.028837333333	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H+2Na"	46.985712
"1442075"	1212.113546	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H+HCOOH"	47.012746
"227765"	1193.12304	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+3H2O+2H"	56.04448
"1514734"	1226.16559	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+IsoProp+H"	61.06479
"409312"	1196.076988	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+Na+K"	61.952376
"775417"	1778.627388	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+Na+K"	61.952376
"1673936"	613.526588	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Na+K"	61.952376
"258270"	2394.217368	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+ACN+Na"	64.015768
"1229521"	1229.116568	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+ACN+Na"	64.015768
"1717678"	1229.140093	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+NH4+HCOOH"	64.039293
"1181208"	411.356151333333	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+3Na"	68.967654
"1654383"	1234.095488	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Na+HCOOH"	68.994688
"159784"	2407.12064	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+2K-H"	76.91904
"598978"	3572.22144	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+2K-H"	76.91904
"1085312"	1242.01984	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2K-H"	76.91904
"147236"	1204.063958	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"2M+2K"	77.926316
"596523"	1786.614358	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"3M+2K"	77.926316
"1076777"	621.513558	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2K"	77.926316
"1107799"	1244.034392	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2K+H"	78.933592
"1347464"	1244.122007	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+DMSO+H"	79.021207
"1010525"	1248.161176	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2ACN+H"	83.060376
"1527919"	1249.154808	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+IsoProp+Na+H"	84.054008
"995097"	624.584226	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+2ACN+2H"	84.067652
"1595068"	1250.069428	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+K+HCOOH"	84.968628
"1419636"	1280.100938	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+H+CF3COOH"	115.000138
"1149925"	645.097501	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+3ACN+2H"	125.094202
"1697890"	1297.127485	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+NH4+CF3COOH"	132.026685
"1643875"	1302.08288	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+Na+CF3COOH"	136.98208
"1583902"	1318.05682	"C20936"	"pppA2p5A2p5A;Trimeric 2-5A;25-Triadenylate 5-triphosphate"	"C30H40N15O25P5"	"1165.1008"	"M+K+CF3COOH"	152.95602
"804425"	31.0058	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M"	0
"975767"	11.98741	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-H2O-H"	-19.01839
"64014"	19.6632573333333	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M-3H"	-3.021828
"505760"	29.998524	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M-3H"	-3.021828
"884655"	9.32799066666667	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-3H"	-3.021828
"8696"	29.998524	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M-2H"	-2.014552
"452636"	45.501424	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M-2H"	-2.014552
"821695"	14.495624	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-2H"	-2.014552
"81684"	61.004324	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M-H"	-1.007276
"521248"	92.010124	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M-H"	-1.007276
"898682"	29.998524	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-H"	-1.007276
"49773"	78.030871	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M-2H+NH4"	16.019271
"489335"	109.036671	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M-2H+NH4"	16.019271
"865678"	47.025071	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-2H+NH4"	16.019271
"46104"	82.986266	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M-2H+Na"	20.974666
"486395"	113.992066	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M-2H+Na"	20.974666
"861522"	51.980466	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-2H+Na"	20.974666
"1631664"	51.980466	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Na-2H"	20.974666
"103211"	47.986863	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M-H+Cl"	33.962126
"547149"	63.489763	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M-H+Cl"	33.962126
"941273"	32.483963	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-H+Cl"	33.962126
"281162"	96.981002	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+Cl"	34.969402
"673464"	127.986802	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+Cl"	34.969402
"1286231"	65.975202	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Cl"	34.969402
"30898"	98.960206	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M-2H+K"	36.948606
"467255"	129.966006	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M-2H+K"	36.948606
"847776"	67.954406	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-2H+K"	36.948606
"1567456"	67.954406	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+K-2H"	36.948606
"952057"	76.003994	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-H+HCOOH"	44.998194
"373184"	107.009801	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+HCOOH-H"	44.998201
"356337"	121.025451	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+Hac-H"	59.013851
"1501895"	90.019651	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Hac-H"	59.013851
"967250"	97.985951	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-H+NaCOOH"	66.980151
"120530"	65.975202	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+2Cl"	69.938804
"561183"	81.478102	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+2Cl"	69.938804
"1031075"	50.472302	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2Cl"	69.938804
"1254662"	109.924685	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Br"	78.918885
"1315287"	111.980672	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Cl+HCOOH"	80.974872
"1329504"	133.962629	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Cl+NaCOOH"	102.956829
"912911"	143.991386	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M-H+CF3COOH"	112.985586
"1295088"	179.968064	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Cl+CF3COOH"	148.962264
"1372155"	-4.006876	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H-2H2O"	-35.012676
"1392943"	14.0031	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H-H2O"	-17.0027
"292268"	63.018876	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+H"	1.007276
"685419"	94.024676	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+H"	1.007276
"1359218"	32.013076	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H"	1.007276
"129920"	32.013076	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+2H"	2.014552
"570575"	47.515976	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+2H"	2.014552
"1042655"	16.510176	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2H"	2.014552
"207276"	21.6778093333333	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+3H"	3.021828
"644890"	32.013076	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+3H"	3.021828
"1166054"	11.3425426666667	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+3H"	3.021828
"425073"	80.045423	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+NH4"	18.033823
"794693"	111.051223	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+NH4"	18.033823
"1683370"	49.039623	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+NH4"	18.033823
"334199"	40.5263495	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+H+NH4"	19.041099
"726259"	56.0292495	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+H+NH4"	19.041099
"1486647"	25.0234495	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H+NH4"	19.041099
"399863"	85.000818	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+Na"	22.989218
"761949"	116.006618	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+Na"	22.989218
"1612237"	53.995018	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Na"	22.989218
"323367"	43.004047	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+H+Na"	23.996494
"715789"	58.506947	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+H+Na"	23.996494
"1470338"	27.501147	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H+Na"	23.996494
"1062488"	18.6698566666667	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2H+Na"	25.00377
"1264530"	64.039286	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+CH3OH+H"	33.033486
"387843"	100.974758	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+K"	38.963158
"747016"	131.980558	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+K"	38.963158
"1543964"	69.968958	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+K"	38.963158
"305514"	50.991017	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+H+K"	39.970434
"700851"	66.493917	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+H+K"	39.970434
"1454672"	35.488117	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H+K"	39.970434
"244731"	104.045426	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+ACN+H"	42.033826
"1215261"	73.039626	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+ACN+H"	42.033826
"1198411"	37.023451	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+ACN+2H"	43.041102
"195293"	106.98276	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+2Na-H"	44.97116
"634855"	137.98856	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+2Na-H"	44.97116
"1143104"	75.97696	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2Na-H"	44.97116
"183842"	53.995018	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+2Na"	45.978436
"624496"	69.497918	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+2Na"	45.978436
"1127274"	38.492118	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2Na"	45.978436
"1406789"	25.9971706666667	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H+2Na"	46.985712
"1441092"	78.018546	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H+HCOOH"	47.012746
"228970"	59.02804	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+3H2O+2H"	56.04448
"1513751"	92.07059	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+IsoProp+H"	61.06479
"412342"	61.981988	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+Na+K"	61.952376
"777714"	77.484888	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+Na+K"	61.952376
"1670399"	46.479088	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Na+K"	61.952376
"259471"	126.027368	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+ACN+Na"	64.015768
"1231090"	95.021568	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+ACN+Na"	64.015768
"1716694"	95.045093	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+NH4+HCOOH"	64.039293
"1180226"	33.3244846666667	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+3Na"	68.967654
"1657409"	100.000488	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Na+HCOOH"	68.994688
"159531"	138.93064	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+2K-H"	76.91904
"597996"	169.93644	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+2K-H"	76.91904
"1086154"	107.92484	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2K-H"	76.91904
"149533"	69.968958	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"2M+2K"	77.926316
"597001"	85.471858	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"3M+2K"	77.926316
"1077980"	54.466058	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2K"	77.926316
"1109003"	109.939392	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2K+H"	78.933592
"1347574"	110.027007	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+DMSO+H"	79.021207
"1011730"	114.066176	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2ACN+H"	83.060376
"1528762"	115.059808	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+IsoProp+Na+H"	84.054008
"995209"	57.536726	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+2ACN+2H"	84.067652
"1591899"	115.974428	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+K+HCOOH"	84.968628
"1423028"	146.005938	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+H+CF3COOH"	115.000138
"1157689"	78.050001	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+3ACN+2H"	125.094202
"1698491"	163.032485	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+NH4+CF3COOH"	132.026685
"1643985"	167.98788	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+Na+CF3COOH"	136.98208
"1584012"	183.96182	"C20937"	"Nitroxyl"	"NHO"	"31.0058"	"M+K+CF3COOH"	152.95602
"804535"	341.998	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M"	0
"975151"	322.97961	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-H2O-H"	-19.01839
"64244"	226.991390666667	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M-3H"	-3.021828
"504775"	340.990724	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M-3H"	-3.021828
"884764"	112.992057333333	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-3H"	-3.021828
"5525"	340.990724	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M-2H"	-2.014552
"452746"	511.989724	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M-2H"	-2.014552
"830548"	169.991724	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-2H"	-2.014552
"82888"	682.988724	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M-H"	-1.007276
"520386"	1024.986724	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M-H"	-1.007276
"898064"	340.990724	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-H"	-1.007276
"49883"	700.015271	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M-2H+NH4"	16.019271
"489447"	1042.013271	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M-2H+NH4"	16.019271
"865544"	358.017271	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-2H+NH4"	16.019271
"45728"	704.970666	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M-2H+Na"	20.974666
"485656"	1046.968666	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M-2H+Na"	20.974666
"856164"	362.972666	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-2H+Na"	20.974666
"1626791"	362.972666	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Na-2H"	20.974666
"103321"	358.979063	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M-H+Cl"	33.962126
"543977"	529.978063	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M-H+Cl"	33.962126
"941141"	187.980063	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-H+Cl"	33.962126
"280665"	718.965402	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+Cl"	34.969402
"673820"	1060.963402	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+Cl"	34.969402
"1283788"	376.967402	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Cl"	34.969402
"28898"	720.944606	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M-2H+K"	36.948606
"468094"	1062.942606	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M-2H+K"	36.948606
"845170"	378.946606	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-2H+K"	36.948606
"1567566"	378.946606	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+K-2H"	36.948606
"949981"	386.996194	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-H+HCOOH"	44.998194
"370379"	728.994201	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+HCOOH-H"	44.998201
"355354"	743.009851	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+Hac-H"	59.013851
"1500911"	401.011851	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Hac-H"	59.013851
"967360"	408.978151	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-H+NaCOOH"	66.980151
"119546"	376.967402	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+2Cl"	69.938804
"559106"	547.966402	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+2Cl"	69.938804
"1032279"	205.968402	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2Cl"	69.938804
"1254043"	420.916885	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Br"	78.918885
"1315397"	422.972872	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Cl+HCOOH"	80.974872
"1331801"	444.954829	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Cl+NaCOOH"	102.956829
"915208"	454.983586	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M-H+CF3COOH"	112.985586
"1294105"	490.960264	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Cl+CF3COOH"	148.962264
"1372265"	306.985324	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H-2H2O"	-35.012676
"1394146"	324.9953	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H-H2O"	-17.0027
"292741"	685.003276	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+H"	1.007276
"687348"	1027.001276	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+H"	1.007276
"1361514"	343.005276	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H"	1.007276
"132218"	343.005276	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+2H"	2.014552
"573965"	514.004276	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+2H"	2.014552
"1041672"	172.006276	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2H"	2.014552
"210666"	229.005942666667	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+3H"	3.021828
"646945"	343.005276	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+3H"	3.021828
"1166164"	115.006609333333	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+3H"	3.021828
"426155"	702.029823	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+NH4"	18.033823
"794803"	1044.027823	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+NH4"	18.033823
"1685301"	360.031823	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+NH4"	18.033823
"335038"	351.5185495	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+H+NH4"	19.041099
"727094"	522.5175495	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+H+NH4"	19.041099
"1480915"	180.5195495	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H+NH4"	19.041099
"402159"	706.985218	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+Na"	22.989218
"762059"	1048.983218	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+Na"	22.989218
"1610160"	364.987218	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Na"	22.989218
"322383"	353.996247	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+H+Na"	23.996494
"713711"	524.995247	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+H+Na"	23.996494
"1467531"	182.997247	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H+Na"	23.996494
"1059682"	122.333923333333	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2H+Na"	25.00377
"1267919"	375.031486	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+CH3OH+H"	33.033486
"386494"	722.959158	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+K"	38.963158
"746397"	1064.957158	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+K"	38.963158
"1544074"	380.961158	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+K"	38.963158
"299426"	361.983217	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+H+K"	39.970434
"696951"	532.982217	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+H+K"	39.970434
"1450771"	190.984217	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H+K"	39.970434
"241560"	726.029826	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+ACN+H"	42.033826
"1214272"	384.031826	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+ACN+H"	42.033826
"1198155"	192.519551	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+ACN+2H"	43.041102
"191391"	728.96716	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+2Na-H"	44.97116
"637152"	1070.96516	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+2Na-H"	44.97116
"1138471"	386.96916	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2Na-H"	44.97116
"183952"	364.987218	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+2Na"	45.978436
"616952"	535.986218	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+2Na"	45.978436
"1127384"	193.988218	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2Na"	45.978436
"1405806"	129.661237333333	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H+2Na"	46.985712
"1441202"	389.010746	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H+HCOOH"	47.012746
"229080"	370.02024	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+3H2O+2H"	56.04448
"1513861"	403.06279	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+IsoProp+H"	61.06479
"414639"	372.974188	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+Na+K"	61.952376
"778918"	543.973188	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+Na+K"	61.952376
"1669781"	201.975188	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Na+K"	61.952376
"261767"	748.011768	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+ACN+Na"	64.015768
"1231199"	406.013768	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+ACN+Na"	64.015768
"1715345"	406.037293	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+NH4+HCOOH"	64.039293
"1180336"	136.988551333333	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+3Na"	68.967654
"1652413"	410.992688	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Na+HCOOH"	68.994688
"165474"	760.91504	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+2K-H"	76.91904
"599201"	1102.91304	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+2K-H"	76.91904
"1086993"	418.91704	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2K-H"	76.91904
"150735"	380.961158	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"2M+2K"	77.926316
"593578"	551.960158	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"3M+2K"	77.926316
"1083195"	209.962158	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2K"	77.926316
"1108017"	420.931592	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2K+H"	78.933592
"1346589"	421.019207	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+DMSO+H"	79.021207
"1015120"	425.058376	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2ACN+H"	83.060376
"1528872"	426.052008	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+IsoProp+Na+H"	84.054008
"995319"	213.032826	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+2ACN+2H"	84.067652
"1590916"	426.966628	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+K+HCOOH"	84.968628
"1424231"	456.998138	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+H+CF3COOH"	115.000138
"1157799"	233.546101	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+3ACN+2H"	125.094202
"1698722"	474.024685	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+NH4+CF3COOH"	132.026685
"1640815"	478.98008	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+Na+CF3COOH"	136.98208
"1584122"	494.95402	"C20938"	"22-Disulfonyl azobenzene"	"C12H10N2O6S2"	"341.998"	"M+K+CF3COOH"	152.95602
"816805"	301.0036	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M"	0
"984740"	281.98521	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-H2O-H"	-19.01839
"67515"	199.661790666667	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M-3H"	-3.021828
"504889"	299.996324	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M-3H"	-3.021828
"882689"	99.3272573333333	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-3H"	-3.021828
"8918"	299.996324	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M-2H"	-2.014552
"455290"	450.498124	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M-2H"	-2.014552
"832765"	149.494524	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-2H"	-2.014552
"86279"	600.999924	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M-H"	-1.007276
"524749"	902.003524	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M-H"	-1.007276
"902551"	299.996324	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-H"	-1.007276
"50726"	618.026471	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M-2H+NH4"	16.019271
"493207"	919.030071	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M-2H+NH4"	16.019271
"872103"	317.022871	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-2H+NH4"	16.019271
"45480"	622.981866	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M-2H+Na"	20.974666
"485034"	923.985466	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M-2H+Na"	20.974666
"862107"	321.978266	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-2H+Na"	20.974666
"1626901"	321.978266	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Na-2H"	20.974666
"103431"	317.984663	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M-H+Cl"	33.962126
"544087"	468.486463	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M-H+Cl"	33.962126
"940760"	167.482863	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-H+Cl"	33.962126
"279812"	636.976602	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+Cl"	34.969402
"673687"	937.980202	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+Cl"	34.969402
"1287066"	335.973002	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Cl"	34.969402
"29737"	638.955806	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M-2H+K"	36.948606
"469665"	939.959406	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M-2H+K"	36.948606
"847100"	337.952206	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-2H+K"	36.948606
"1569136"	337.952206	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+K-2H"	36.948606
"951184"	346.001794	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-H+HCOOH"	44.998194
"370494"	647.005401	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+HCOOH-H"	44.998201
"357657"	661.021051	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+Hac-H"	59.013851
"1503205"	360.017451	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Hac-H"	59.013851
"968564"	367.983751	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-H+NaCOOH"	66.980151
"120751"	335.973002	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+2Cl"	69.938804
"561403"	486.474802	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+2Cl"	69.938804
"1032392"	185.471202	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2Cl"	69.938804
"1253062"	379.922485	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Br"	78.918885
"1317696"	381.978472	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Cl+HCOOH"	80.974872
"1333007"	403.960429	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Cl+NaCOOH"	102.956829
"921879"	413.989186	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M-H+CF3COOH"	112.985586
"1293849"	449.965864	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Cl+CF3COOH"	148.962264
"1369459"	265.990924	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H-2H2O"	-35.012676
"1395348"	284.0009	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H-H2O"	-17.0027
"293946"	603.014476	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+H"	1.007276
"683084"	904.018076	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+H"	1.007276
"1362352"	302.010876	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H"	1.007276
"135608"	302.010876	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+2H"	2.014552
"576262"	452.512676	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+2H"	2.014552
"1047253"	151.509076	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2H"	2.014552
"214058"	201.676342666667	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+3H"	3.021828
"652525"	302.010876	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+3H"	3.021828
"1173929"	101.341809333333	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+3H"	3.021828
"433923"	620.041023	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+NH4"	18.033823
"789448"	921.044623	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+NH4"	18.033823
"1686872"	319.037423	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+NH4"	18.033823
"332962"	310.5241495	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+H+NH4"	19.041099
"730853"	461.0259495	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+H+NH4"	19.041099
"1481025"	160.0223495	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H+NH4"	19.041099
"403365"	624.996418	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+Na"	22.989218
"768250"	926.000018	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+Na"	22.989218
"1613551"	323.992818	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Na"	22.989218
"326504"	313.001847	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+H+Na"	23.996494
"716010"	463.503647	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+H+Na"	23.996494
"1467641"	162.500047	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H+Na"	23.996494
"1061979"	108.669123333333	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2H+Na"	25.00377
"1268761"	334.037086	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+CH3OH+H"	33.033486
"387699"	640.970358	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+K"	38.963158
"746507"	941.973958	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+K"	38.963158
"1548560"	339.966758	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+K"	38.963158
"301362"	320.988817	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+H+K"	39.970434
"697063"	471.490617	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+H+K"	39.970434
"1450884"	170.487017	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H+K"	39.970434
"239849"	644.041026	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+ACN+H"	42.033826
"1222039"	343.037426	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+ACN+H"	42.033826
"1202641"	172.022351	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+ACN+2H"	43.041102
"194418"	646.97836	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+2Na-H"	44.97116
"630700"	947.98196	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+2Na-H"	44.97116
"1142958"	345.97476	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2Na-H"	44.97116
"180783"	323.992818	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+2Na"	45.978436
"625814"	474.494618	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+2Na"	45.978436
"1126036"	173.491018	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2Na"	45.978436
"1406280"	115.996437333333	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H+2Na"	46.985712
"1441312"	348.016346	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H+HCOOH"	47.012746
"234298"	329.02584	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+3H2O+2H"	56.04448
"1522117"	362.06839	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+IsoProp+H"	61.06479
"420948"	331.979788	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+Na+K"	61.952376
"782674"	482.481588	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+Na+K"	61.952376
"1678277"	181.477988	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Na+K"	61.952376
"264066"	666.022968	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+ACN+Na"	64.015768
"1233497"	365.019368	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+ACN+Na"	64.015768
"1718010"	365.042893	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+NH4+HCOOH"	64.039293
"1187738"	123.323751333333	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+3Na"	68.967654
"1658724"	369.998288	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Na+HCOOH"	68.994688
"163398"	678.92624	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+2K-H"	76.91904
"600770"	979.92984	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+2K-H"	76.91904
"1091845"	377.92264	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2K-H"	76.91904
"149753"	339.966758	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"2M+2K"	77.926316
"589312"	490.468558	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"3M+2K"	77.926316
"1079292"	189.464958	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2K"	77.926316
"1111408"	379.937192	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2K+H"	78.933592
"1343418"	380.024807	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+DMSO+H"	79.021207
"1011949"	384.063976	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2ACN+H"	83.060376
"1535542"	385.057608	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+IsoProp+Na+H"	84.054008
"996524"	192.535626	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+2ACN+2H"	84.067652
"1595400"	385.972228	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+K+HCOOH"	84.968628
"1423246"	416.003738	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+H+CF3COOH"	115.000138
"1149524"	213.048901	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+3ACN+2H"	125.094202
"1703088"	433.030285	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+NH4+CF3COOH"	132.026685
"1644208"	437.98568	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+Na+CF3COOH"	136.98208
"1584232"	453.95962	"C20939"	"3-(4-Amino-6-chloro-135-triazin-2-yl)aminobenzenesulfonate"	"C9H8ClN5O3S"	"301.0036"	"M+K+CF3COOH"	152.95602
"808035"	201.1001	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M"	0
"984850"	182.08171	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-H2O-H"	-19.01839
"67625"	133.059457333333	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M-3H"	-3.021828
"514841"	200.092824	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M-3H"	-3.021828
"888267"	66.0260906666667	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-3H"	-3.021828
"10120"	200.092824	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M-2H"	-2.014552
"454916"	300.642874	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M-2H"	-2.014552
"827487"	99.542774	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-2H"	-2.014552
"92467"	401.192924	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M-H"	-1.007276
"528135"	602.293024	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M-H"	-1.007276
"899381"	200.092824	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-H"	-1.007276
"51202"	418.219471	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M-2H+NH4"	16.019271
"494410"	619.319571	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M-2H+NH4"	16.019271
"868200"	217.119371	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-2H+NH4"	16.019271
"44490"	423.174866	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M-2H+Na"	20.974666
"485516"	624.274966	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M-2H+Na"	20.974666
"862582"	222.074766	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-2H+Na"	20.974666
"1633088"	222.074766	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Na-2H"	20.974666
"108888"	218.081163	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M-H+Cl"	33.962126
"544195"	318.631213	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M-H+Cl"	33.962126
"942533"	117.531113	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-H+Cl"	33.962126
"282675"	437.169602	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+Cl"	34.969402
"672346"	638.269702	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+Cl"	34.969402
"1287616"	236.069502	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Cl"	34.969402
"31227"	439.148806	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M-2H+K"	36.948606
"467590"	640.248906	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M-2H+K"	36.948606
"847899"	238.048706	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-2H+K"	36.948606
"1569975"	238.048706	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+K-2H"	36.948606
"953481"	246.098294	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-H+HCOOH"	44.998194
"370604"	447.198401	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+HCOOH-H"	44.998201
"356673"	461.214051	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+Hac-H"	59.013851
"1504408"	260.113951	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Hac-H"	59.013851
"973049"	268.080251	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-H+NaCOOH"	66.980151
"124019"	236.069502	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+2Cl"	69.938804
"563700"	336.619552	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+2Cl"	69.938804
"1036755"	135.519452	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2Cl"	69.938804
"1256452"	280.018985	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Br"	78.918885
"1319265"	282.074972	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Cl+HCOOH"	80.974872
"1334578"	304.056929	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Cl+NaCOOH"	102.956829
"921989"	314.085686	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M-H+CF3COOH"	112.985586
"1293231"	350.062364	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Cl+CF3COOH"	148.962264
"1372485"	166.087424	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H-2H2O"	-35.012676
"1392179"	184.0974	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H-H2O"	-17.0027
"292962"	403.207476	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+H"	1.007276
"683196"	604.307576	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+H"	1.007276
"1364648"	202.107376	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H"	1.007276
"134626"	202.107376	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+2H"	2.014552
"575278"	302.657426	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+2H"	2.014552
"1048093"	101.557326	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2H"	2.014552
"211981"	135.074009333333	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+3H"	3.021828
"649355"	202.107376	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+3H"	3.021828
"1171853"	68.0406426666667	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+3H"	3.021828
"430752"	420.234023	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+NH4"	18.033823
"788466"	621.334123	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+NH4"	18.033823
"1685889"	219.133923	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+NH4"	18.033823
"334531"	210.6206495	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+H+NH4"	19.041099
"730964"	311.1706995	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+H+NH4"	19.041099
"1480409"	110.0705995	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H+NH4"	19.041099
"403474"	425.189418	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+Na"	22.989218
"767752"	626.289518	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+Na"	22.989218
"1614754"	224.089318	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Na"	22.989218
"323698"	213.098347	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+H+Na"	23.996494
"715025"	313.648397	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+H+Na"	23.996494
"1467751"	112.548297	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H+Na"	23.996494
"1057715"	75.3679566666667	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2H+Na"	25.00377
"1267049"	234.133586	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+CH3OH+H"	33.033486
"383436"	441.163358	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+K"	38.963158
"749898"	642.263458	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+K"	38.963158
"1549764"	240.063258	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+K"	38.963158
"303658"	221.085317	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+H+K"	39.970434
"696080"	321.635367	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+H+K"	39.970434
"1448076"	120.535267	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H+K"	39.970434
"238136"	444.234026	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+ACN+H"	42.033826
"1216681"	243.133926	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+ACN+H"	42.033826
"1200568"	122.070601	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+ACN+2H"	43.041102
"195626"	447.17136	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+2Na-H"	44.97116
"631905"	648.27146	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+2Na-H"	44.97116
"1143798"	246.07126	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2Na-H"	44.97116
"184903"	224.089318	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+2Na"	45.978436
"626288"	324.639368	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+2Na"	45.978436
"1126146"	123.539268	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2Na"	45.978436
"1407484"	82.6952706666667	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H+2Na"	46.985712
"1441423"	248.112846	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H+HCOOH"	47.012746
"230033"	229.12234	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+3H2O+2H"	56.04448
"1520642"	262.16489	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+IsoProp+H"	61.06479
"418146"	232.076288	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+Na+K"	61.952376
"778048"	332.626338	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+Na+K"	61.952376
"1675473"	131.526238	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Na+K"	61.952376
"261993"	466.215968	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+ACN+Na"	64.015768
"1229235"	265.115868	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+ACN+Na"	64.015768
"1719214"	265.139393	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+NH4+HCOOH"	64.039293
"1180195"	90.0225846666667	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+3Na"	68.967654
"1656647"	270.094788	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Na+HCOOH"	68.994688
"160227"	479.11924	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+2K-H"	76.91904
"598330"	680.21934	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+2K-H"	76.91904
"1088673"	278.01914	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2K-H"	76.91904
"145491"	240.063258	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"2M+2K"	77.926316
"587235"	340.613308	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"3M+2K"	77.926316
"1072841"	139.513208	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2K"	77.926316
"1108239"	280.033692	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2K+H"	78.933592
"1344622"	280.121307	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+DMSO+H"	79.021207
"1009873"	284.160476	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2ACN+H"	83.060376
"1531278"	285.154108	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+IsoProp+Na+H"	84.054008
"994447"	142.583876	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+2ACN+2H"	84.067652
"1588949"	286.068728	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+K+HCOOH"	84.968628
"1418982"	316.100238	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+H+CF3COOH"	115.000138
"1150726"	163.097151	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+3ACN+2H"	125.094202
"1703198"	333.126785	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+NH4+CF3COOH"	132.026685
"1645413"	338.08218	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+Na+CF3COOH"	136.98208
"1584342"	354.05612	"C20940"	"L-Dihydroanticapsin"	"C9H15NO4"	"201.1001"	"M+K+CF3COOH"	152.95602
"804865"	199.0845	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M"	0
"975481"	180.06611	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-H2O-H"	-19.01839
"63153"	131.715724	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M-3H"	-3.021828
"504134"	198.077224	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M-3H"	-3.021828
"882909"	65.354224	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-3H"	-3.021828
"3669"	198.077224	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M-2H"	-2.014552
"453078"	297.619474	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M-2H"	-2.014552
"825411"	98.534974	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-2H"	-2.014552
"91968"	397.161724	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M-H"	-1.007276
"527152"	596.246224	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M-H"	-1.007276
"907141"	198.077224	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-H"	-1.007276
"52773"	414.188271	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M-2H+NH4"	16.019271
"498895"	613.272771	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M-2H+NH4"	16.019271
"869041"	215.103771	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-2H+NH4"	16.019271
"46874"	419.143666	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M-2H+Na"	20.974666
"485259"	618.228166	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M-2H+Na"	20.974666
"863989"	220.059166	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-2H+Na"	20.974666
"1631499"	220.059166	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Na-2H"	20.974666
"106933"	216.065563	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M-H+Cl"	33.962126
"544305"	315.607813	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M-H+Cl"	33.962126
"941832"	116.523313	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-H+Cl"	33.962126
"281846"	433.138402	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+Cl"	34.969402
"674395"	632.222902	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+Cl"	34.969402
"1285580"	234.053902	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Cl"	34.969402
"29229"	435.117606	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M-2H+K"	36.948606
"466607"	634.202106	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M-2H+K"	36.948606
"844040"	236.033106	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-2H+K"	36.948606
"1565710"	236.033106	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+K-2H"	36.948606
"952498"	244.082694	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-H+HCOOH"	44.998194
"370714"	443.167201	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+HCOOH-H"	44.998201
"356784"	457.182851	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+Hac-H"	59.013851
"1498323"	258.098351	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Hac-H"	59.013851
"973159"	266.064651	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-H+NaCOOH"	66.980151
"123157"	234.053902	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+2Cl"	69.938804
"558343"	333.596152	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+2Cl"	69.938804
"1033703"	134.511652	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2Cl"	69.938804
"1255469"	278.003385	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Br"	78.918885
"1316823"	280.059372	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Cl+HCOOH"	80.974872
"1334564"	302.041329	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Cl+NaCOOH"	102.956829
"922099"	312.070086	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M-H+CF3COOH"	112.985586
"1293705"	348.046764	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Cl+CF3COOH"	148.962264
"1372594"	164.071824	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H-2H2O"	-35.012676
"1393383"	182.0818	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H-H2O"	-17.0027
"291979"	399.176276	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+H"	1.007276
"683306"	598.260776	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+H"	1.007276
"1360749"	200.091776	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H"	1.007276
"133643"	200.091776	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+2H"	2.014552
"574295"	299.634026	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+2H"	2.014552
"1049297"	100.549526	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2H"	2.014552
"210997"	133.730276	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+3H"	3.021828
"652745"	200.091776	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+3H"	3.021828
"1169779"	67.368776	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+3H"	3.021828
"434145"	416.202823	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+NH4"	18.033823
"789672"	615.287323	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+NH4"	18.033823
"1684906"	217.118323	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+NH4"	18.033823
"335372"	208.6050495	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+H+NH4"	19.041099
"729982"	308.1472995	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+H+NH4"	19.041099
"1479063"	109.0627995	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H+NH4"	19.041099
"405775"	421.158218	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+Na"	22.989218
"768591"	620.242718	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+Na"	22.989218
"1612679"	222.073718	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Na"	22.989218
"323809"	211.082747	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+H+Na"	23.996494
"712949"	310.624997	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+H+Na"	23.996494
"1462150"	111.540497	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H+Na"	23.996494
"1054544"	74.69609	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2H+Na"	25.00377
"1263880"	232.117986	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+CH3OH+H"	33.033486
"383546"	437.132158	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+K"	38.963158
"748915"	636.216658	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+K"	38.963158
"1549874"	238.047658	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+K"	38.963158
"301580"	219.069717	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+H+K"	39.970434
"695097"	318.611967	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+H+K"	39.970434
"1447091"	119.527467	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H+K"	39.970434
"239705"	440.202826	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+ACN+H"	42.033826
"1211322"	241.118326	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+ACN+H"	42.033826
"1199582"	121.062801	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+ACN+2H"	43.041102
"193548"	443.14016	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+2Na-H"	44.97116
"632015"	642.22466	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+2Na-H"	44.97116
"1144271"	244.05566	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2Na-H"	44.97116
"185013"	222.073718	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+2Na"	45.978436
"619468"	321.615968	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+2Na"	45.978436
"1126258"	122.531468	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2Na"	45.978436
"1405407"	82.023404	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H+2Na"	46.985712
"1440804"	246.097246	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H+HCOOH"	47.012746
"233786"	227.10674	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+3H2O+2H"	56.04448
"1519659"	260.14929	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+IsoProp+H"	61.06479
"421899"	230.060688	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+Na+K"	61.952376
"779251"	329.602938	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+Na+K"	61.952376
"1675582"	130.518438	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Na+K"	61.952376
"263195"	462.184768	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+ACN+Na"	64.015768
"1235902"	263.100268	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+ACN+Na"	64.015768
"1721511"	263.123793	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+NH4+HCOOH"	64.039293
"1181399"	89.350718	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+3Na"	68.967654
"1657851"	268.079188	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Na+HCOOH"	68.994688
"163617"	475.08804	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+2K-H"	76.91904
"604270"	674.17254	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+2K-H"	76.91904
"1088782"	276.00354	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2K-H"	76.91904
"147787"	238.047658	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"2M+2K"	77.926316
"586252"	337.589908	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"3M+2K"	77.926316
"1075138"	138.505408	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2K"	77.926316
"1109442"	278.018092	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2K+H"	78.933592
"1344732"	278.105707	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+DMSO+H"	79.021207
"1009983"	282.144876	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2ACN+H"	83.060376
"1530295"	283.138508	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+IsoProp+Na+H"	84.054008
"997837"	141.576076	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+2ACN+2H"	84.067652
"1592340"	284.053128	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+K+HCOOH"	84.968628
"1417999"	314.084638	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+H+CF3COOH"	115.000138
"1150836"	162.089351	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+3ACN+2H"	125.094202
"1703308"	331.111185	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+NH4+CF3COOH"	132.026685
"1643336"	336.06658	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+Na+CF3COOH"	136.98208
"1584452"	352.04052	"C20941"	"L-Anticapsin;Anticapsin"	"C9H13NO4"	"199.0845"	"M+K+CF3COOH"	152.95602
"804975"	270.1216	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M"	0
"978508"	251.10321	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-H2O-H"	-19.01839
"63470"	179.073790666667	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M-3H"	-3.021828
"504123"	269.114324	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M-3H"	-3.021828
"884112"	89.0332573333333	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-3H"	-3.021828
"2686"	269.114324	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M-2H"	-2.014552
"448812"	404.175124	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M-2H"	-2.014552
"818958"	134.053524	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-2H"	-2.014552
"92078"	539.235924	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M-H"	-1.007276
"527262"	809.357524	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M-H"	-1.007276
"907251"	269.114324	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-H"	-1.007276
"53976"	556.262471	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M-2H+NH4"	16.019271
"493537"	826.384071	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M-2H+NH4"	16.019271
"868058"	286.140871	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-2H+NH4"	16.019271
"35957"	561.217866	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M-2H+Na"	20.974666
"477707"	831.339466	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M-2H+Na"	20.974666
"858790"	291.096266	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-2H+Na"	20.974666
"1633549"	291.096266	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Na-2H"	20.974666
"109724"	287.102663	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M-H+Cl"	33.962126
"549724"	422.163463	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M-H+Cl"	33.962126
"941217"	152.041863	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-H+Cl"	33.962126
"282648"	575.212602	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+Cl"	34.969402
"673292"	845.334202	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+Cl"	34.969402
"1287634"	305.091002	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Cl"	34.969402
"29339"	577.191806	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M-2H+K"	36.948606
"466716"	847.313406	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M-2H+K"	36.948606
"843421"	307.070206	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-2H+K"	36.948606
"1565820"	307.070206	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+K-2H"	36.948606
"952608"	315.119794	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-H+HCOOH"	44.998194
"367906"	585.241401	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+HCOOH-H"	44.998201
"352519"	599.257051	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+Hac-H"	59.013851
"1499526"	329.135451	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Hac-H"	59.013851
"972176"	337.101751	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-H+NaCOOH"	66.980151
"122174"	305.091002	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+2Cl"	69.938804
"557358"	440.151802	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+2Cl"	69.938804
"1032718"	170.030202	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2Cl"	69.938804
"1254486"	349.040485	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Br"	78.918885
"1313651"	351.096472	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Cl+HCOOH"	80.974872
"1333335"	373.078429	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Cl+NaCOOH"	102.956829
"922209"	383.107186	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M-H+CF3COOH"	112.985586
"1293815"	419.083864	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Cl+CF3COOH"	148.962264
"1369424"	235.108924	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H-2H2O"	-35.012676
"1393493"	253.1189	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H-H2O"	-17.0027
"292089"	541.250476	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+H"	1.007276
"685236"	811.372076	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+H"	1.007276
"1359759"	271.128876	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H"	1.007276
"137762"	271.128876	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+2H"	2.014552
"576591"	406.189676	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+2H"	2.014552
"1048676"	136.068076	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2H"	2.014552
"211109"	181.088342666667	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+3H"	3.021828
"653949"	271.128876	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+3H"	3.021828
"1167701"	91.0478093333333	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+3H"	3.021828
"425505"	558.277023	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+NH4"	18.033823
"787595"	828.398623	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+NH4"	18.033823
"1688297"	288.155423	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+NH4"	18.033823
"336576"	279.6421495	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+H+NH4"	19.041099
"728997"	414.7029495	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+H+NH4"	19.041099
"1481724"	144.5813495	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H+NH4"	19.041099
"404792"	563.232418	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+Na"	22.989218
"769065"	833.354018	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+Na"	22.989218
"1614976"	293.110818	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Na"	22.989218
"321731"	282.119847	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+H+Na"	23.996494
"713058"	417.180647	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+H+Na"	23.996494
"1465784"	147.059047	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H+Na"	23.996494
"1055383"	98.3751233333333	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2H+Na"	25.00377
"1260341"	303.155086	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+CH3OH+H"	33.033486
"381832"	579.206358	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+K"	38.963158
"742828"	849.327958	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+K"	38.963158
"1545610"	309.084758	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+K"	38.963158
"300597"	290.106817	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+H+K"	39.970434
"696301"	425.167617	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+H+K"	39.970434
"1445866"	155.046017	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H+K"	39.970434
"239815"	582.277026	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+ACN+H"	42.033826
"1211432"	312.155426	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+ACN+H"	42.033826
"1201880"	156.581351	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+ACN+2H"	43.041102
"192563"	585.21436	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+2Na-H"	44.97116
"631394"	855.33596	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+2Na-H"	44.97116
"1133444"	315.09276	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2Na-H"	44.97116
"181112"	293.110818	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+2Na"	45.978436
"617391"	428.171618	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+2Na"	45.978436
"1123085"	158.050018	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2Na"	45.978436
"1405880"	105.702437333333	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H+2Na"	46.985712
"1443102"	317.134346	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H+HCOOH"	47.012746
"233897"	298.14384	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+3H2O+2H"	56.04448
"1521955"	331.18639	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+IsoProp+H"	61.06479
"422009"	301.097788	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+Na+K"	61.952376
"782279"	436.158588	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+Na+K"	61.952376
"1675692"	166.036988	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Na+K"	61.952376
"264398"	604.258968	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+ACN+Na"	64.015768
"1236013"	334.137368	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+ACN+Na"	64.015768
"1722714"	334.160893	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+NH4+HCOOH"	64.039293
"1184789"	113.029751333333	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+3Na"	68.967654
"1660148"	339.116288	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Na+HCOOH"	68.994688
"163727"	617.16224	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+2K-H"	76.91904
"603287"	887.28384	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+2K-H"	76.91904
"1091079"	347.04064	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2K-H"	76.91904
"153363"	309.084758	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"2M+2K"	77.926316
"587456"	444.145558	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"3M+2K"	77.926316
"1076341"	174.023958	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2K"	77.926316
"1111738"	349.055192	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2K+H"	78.933592
"1344842"	349.142807	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+DMSO+H"	79.021207
"1009000"	353.181976	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2ACN+H"	83.060376
"1532592"	354.175608	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+IsoProp+Na+H"	84.054008
"997947"	177.094626	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+2ACN+2H"	84.067652
"1594637"	355.090228	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+K+HCOOH"	84.968628
"1419202"	385.121738	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+H+CF3COOH"	115.000138
"1150582"	197.607901	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+3ACN+2H"	125.094202
"1703418"	402.148285	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+NH4+CF3COOH"	132.026685
"1646726"	407.10368	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+Na+CF3COOH"	136.98208
"1584562"	423.07762	"C20942"	"Bacilysin"	"C12H18N2O5"	"270.1216"	"M+K+CF3COOH"	152.95602
"813833"	152.1201	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M"	0
"978618"	133.10171	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-H2O-H"	-19.01839
"67955"	100.406124	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M-3H"	-3.021828
"505328"	151.112824	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M-3H"	-3.021828
"886409"	49.699424	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-3H"	-3.021828
"4983"	151.112824	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M-2H"	-2.014552
"447828"	227.172874	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M-2H"	-2.014552
"825631"	75.052774	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-2H"	-2.014552
"91095"	303.232924	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M-H"	-1.007276
"526279"	455.353024	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M-H"	-1.007276
"908454"	151.112824	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-H"	-1.007276
"54086"	320.259471	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M-2H+NH4"	16.019271
"493647"	472.379571	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M-2H+NH4"	16.019271
"868168"	168.139371	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-2H+NH4"	16.019271
"36067"	325.214866	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M-2H+Na"	20.974666
"481097"	477.334966	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M-2H+Na"	20.974666
"862180"	173.094766	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-2H+Na"	20.974666
"1633295"	173.094766	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Na-2H"	20.974666
"108976"	169.101163	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M-H+Cl"	33.962126
"545618"	245.161213	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M-H+Cl"	33.962126
"940962"	93.041113	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-H+Cl"	33.962126
"282189"	339.209602	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+Cl"	34.969402
"671216"	491.329702	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+Cl"	34.969402
"1284707"	187.089502	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Cl"	34.969402
"28356"	341.188806	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M-2H+K"	36.948606
"465733"	493.308906	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M-2H+K"	36.948606
"842438"	189.068706	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-2H+K"	36.948606
"1569210"	189.068706	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+K-2H"	36.948606
"953812"	197.118294	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-H+HCOOH"	44.998194
"367652"	349.238401	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+HCOOH-H"	44.998201
"352629"	363.254051	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+Hac-H"	59.013851
"1499272"	211.133951	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Hac-H"	59.013851
"972285"	219.100251	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-H+NaCOOH"	66.980151
"122284"	187.089502	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+2Cl"	69.938804
"557468"	263.149552	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+2Cl"	69.938804
"1028455"	111.029452	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2Cl"	69.938804
"1250220"	231.038985	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Br"	78.918885
"1308295"	233.094972	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Cl+HCOOH"	80.974872
"1326883"	255.076929	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Cl+NaCOOH"	102.956829
"919039"	265.105686	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M-H+CF3COOH"	112.985586
"1295748"	301.082364	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Cl+CF3COOH"	148.962264
"1369898"	117.107424	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H-2H2O"	-35.012676
"1392507"	135.1174	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H-H2O"	-17.0027
"293292"	305.247476	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+H"	1.007276
"686803"	457.367576	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+H"	1.007276
"1362056"	153.127376	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H"	1.007276
"140058"	153.127376	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+2H"	2.014552
"578888"	229.187426	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+2H"	2.014552
"1050973"	77.067326	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2H"	2.014552
"215593"	102.420676	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+3H"	3.021828
"657339"	153.127376	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+3H"	3.021828
"1172185"	51.713976	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+3H"	3.021828
"432177"	322.274023	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+NH4"	18.033823
"787705"	474.394123	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+NH4"	18.033823
"1691688"	170.153923	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+NH4"	18.033823
"338873"	161.6406495	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+H+NH4"	19.041099
"733481"	237.7006995	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+H+NH4"	19.041099
"1484019"	85.5805995	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H+NH4"	19.041099
"395413"	327.229418	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+Na"	22.989218
"766988"	479.349518	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+Na"	22.989218
"1612898"	175.109318	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Na"	22.989218
"324027"	164.118347	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+H+Na"	23.996494
"712075"	240.178397	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+H+Na"	23.996494
"1466257"	88.058297	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H+Na"	23.996494
"1054764"	59.04129	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2H+Na"	25.00377
"1262275"	185.153586	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+CH3OH+H"	33.033486
"382307"	343.203358	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+K"	38.963158
"742938"	495.323458	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+K"	38.963158
"1544626"	191.083258	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+K"	38.963158
"299979"	172.105317	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+H+K"	39.970434
"694223"	248.165367	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+H+K"	39.970434
"1446947"	96.045267	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H+K"	39.970434
"239925"	346.274026	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+ACN+H"	42.033826
"1212635"	194.153926	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+ACN+H"	42.033826
"1195792"	97.580601	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+ACN+2H"	43.041102
"190481"	349.21136	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+2Na-H"	44.97116
"631498"	501.33146	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+2Na-H"	44.97116
"1133552"	197.09126	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2Na-H"	44.97116
"181220"	175.109318	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+2Na"	45.978436
"613492"	251.169368	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+2Na"	45.978436
"1123195"	99.049268	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2Na"	45.978436
"1404533"	66.368604	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H+2Na"	46.985712
"1442117"	199.132846	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H+HCOOH"	47.012746
"232910"	180.14234	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+3H2O+2H"	56.04448
"1518786"	213.18489	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+IsoProp+H"	61.06479
"421753"	183.096288	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+Na+K"	61.952376
"783116"	259.156338	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+Na+K"	61.952376
"1676894"	107.036238	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Na+K"	61.952376
"263413"	368.255968	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+ACN+Na"	64.015768
"1236122"	216.135868	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+ACN+Na"	64.015768
"1723918"	216.159393	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+NH4+HCOOH"	64.039293
"1187084"	73.695918	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+3Na"	68.967654
"1659165"	221.114788	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Na+HCOOH"	68.994688
"162744"	381.15924	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+2K-H"	76.91904
"603397"	533.27934	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+2K-H"	76.91904
"1089003"	229.03914	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2K-H"	76.91904
"151287"	191.083258	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"2M+2K"	77.926316
"587566"	267.143308	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"3M+2K"	77.926316
"1077545"	115.023208	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2K"	77.926316
"1108568"	231.053692	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2K+H"	78.933592
"1344952"	231.141307	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+DMSO+H"	79.021207
"1009110"	235.180476	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2ACN+H"	83.060376
"1529421"	236.174108	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+IsoProp+Na+H"	84.054008
"999151"	118.093876	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+2ACN+2H"	84.067652
"1594747"	237.088728	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+K+HCOOH"	84.968628
"1419312"	267.120238	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+H+CF3COOH"	115.000138
"1150692"	138.607151	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+3ACN+2H"	125.094202
"1703528"	284.146785	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+NH4+CF3COOH"	132.026685
"1646836"	289.10218	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+Na+CF3COOH"	136.98208
"1584672"	305.07612	"C20943"	"(R)-Ipsdienol;(4R)-2-Methyl-6-methyleneocta-27-dien-4-ol"	"C10H16O"	"152.1201"	"M+K+CF3COOH"	152.95602
"805195"	150.1045	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M"	0
"978728"	131.08611	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-H2O-H"	-19.01839
"70249"	99.0623906666667	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M-3H"	-3.021828
"508717"	149.097224	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M-3H"	-3.021828
"885424"	49.0275573333333	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-3H"	-3.021828
"7279"	149.097224	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M-2H"	-2.014552
"441741"	224.149474	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M-2H"	-2.014552
"822459"	74.044974	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-2H"	-2.014552
"92907"	299.201724	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M-H"	-1.007276
"526389"	449.306224	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M-H"	-1.007276
"908564"	149.097224	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-H"	-1.007276
"55289"	316.228271	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M-2H+NH4"	16.019271
"495943"	466.332771	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M-2H+NH4"	16.019271
"869369"	166.123771	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-2H+NH4"	16.019271
"37270"	321.183666	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M-2H+Na"	20.974666
"479019"	471.288166	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M-2H+Na"	20.974666
"861197"	171.079166	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-2H+Na"	20.974666
"1627449"	171.079166	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Na-2H"	20.974666
"107262"	167.085563	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M-H+Cl"	33.962126
"544634"	242.137813	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M-H+Cl"	33.962126
"939980"	92.033313	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-H+Cl"	33.962126
"279628"	335.178402	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+Cl"	34.969402
"668045"	485.282902	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+Cl"	34.969402
"1285547"	185.073902	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Cl"	34.969402
"29439"	337.157606	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M-2H+K"	36.948606
"465843"	487.262106	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M-2H+K"	36.948606
"844734"	187.053106	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-2H+K"	36.948606
"1568227"	187.053106	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+K-2H"	36.948606
"953922"	195.102694	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-H+HCOOH"	44.998194
"372863"	345.207201	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+HCOOH-H"	44.998201
"358204"	359.222851	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+Hac-H"	59.013851
"1500475"	209.118351	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Hac-H"	59.013851
"970938"	217.084651	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-H+NaCOOH"	66.980151
"123123"	185.073902	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+2Cl"	69.938804
"559764"	260.126152	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+2Cl"	69.938804
"1027471"	110.021652	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2Cl"	69.938804
"1250330"	229.023385	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Br"	78.918885
"1310591"	231.079372	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Cl+HCOOH"	80.974872
"1326993"	253.061329	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Cl+NaCOOH"	102.956829
"919149"	263.090086	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M-H+CF3COOH"	112.985586
"1296951"	299.066764	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Cl+CF3COOH"	148.962264
"1369644"	115.091824	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H-2H2O"	-35.012676
"1391522"	133.1018	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H-H2O"	-17.0027
"291214"	301.216276	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+H"	1.007276
"682540"	451.320776	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+H"	1.007276
"1357792"	151.111776	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H"	1.007276
"138711"	151.111776	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+2H"	2.014552
"579728"	226.164026	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+2H"	2.014552
"1047801"	76.059526	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2H"	2.014552
"212423"	101.076942666667	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+3H"	3.021828
"654170"	151.111776	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+3H"	3.021828
"1170108"	51.0421093333333	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+3H"	3.021828
"431194"	318.242823	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+NH4"	18.033823
"790002"	468.347323	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+NH4"	18.033823
"1688517"	168.138323	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+NH4"	18.033823
"337887"	159.6250495	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+H+NH4"	19.041099
"730310"	234.6772995	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+H+NH4"	19.041099
"1484129"	84.5727995	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H+NH4"	19.041099
"395159"	323.198218	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+Na"	22.989218
"767098"	473.302718	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+Na"	22.989218
"1610821"	173.093718	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Na"	22.989218
"321951"	162.102747	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+H+Na"	23.996494
"711092"	237.154997	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+H+Na"	23.996494
"1466004"	87.050497	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H+Na"	23.996494
"1053781"	58.3694233333333	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2H+Na"	25.00377
"1259106"	183.137986	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+CH3OH+H"	33.033486
"378408"	339.172158	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+K"	38.963158
"739402"	489.276658	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+K"	38.963158
"1541819"	189.067658	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+K"	38.963158
"301545"	170.089717	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+H+K"	39.970434
"693239"	245.141967	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+H+K"	39.970434
"1447421"	95.037467	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H+K"	39.970434
"238940"	342.242826	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+ACN+H"	42.033826
"1212380"	192.138326	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+ACN+H"	42.033826
"1196265"	96.572801	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+ACN+2H"	43.041102
"190956"	345.18016	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+2Na-H"	44.97116
"629785"	495.28466	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+2Na-H"	44.97116
"1133298"	195.07566	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2Na-H"	44.97116
"180238"	173.093718	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+2Na"	45.978436
"617976"	248.145968	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+2Na"	45.978436
"1123304"	98.041468	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2Na"	45.978436
"1406830"	65.6967373333333	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H+2Na"	46.985712
"1439677"	197.117246	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H+HCOOH"	47.012746
"231927"	178.12674	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+3H2O+2H"	56.04448
"1522542"	211.16929	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+IsoProp+H"	61.06479
"422231"	181.080688	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+Na+K"	61.952376
"783957"	256.132938	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+Na+K"	61.952376
"1679193"	106.028438	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Na+K"	61.952376
"263527"	364.224768	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+ACN+Na"	64.015768
"1238418"	214.120268	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+ACN+Na"	64.015768
"1724029"	214.143793	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+NH4+HCOOH"	64.039293
"1189382"	73.0240513333333	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+3Na"	68.967654
"1663528"	219.099188	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Na+HCOOH"	68.994688
"166135"	377.12804	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+2K-H"	76.91904
"605694"	527.23254	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+2K-H"	76.91904
"1091300"	227.02354	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2K-H"	76.91904
"151397"	189.067658	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"2M+2K"	77.926316
"588769"	264.119908	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"3M+2K"	77.926316
"1075468"	114.015408	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2K"	77.926316
"1107585"	229.038092	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2K+H"	78.933592
"1343969"	229.125707	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+DMSO+H"	79.021207
"1013593"	233.164876	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2ACN+H"	83.060376
"1529531"	234.158508	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+IsoProp+Na+H"	84.054008
"1000354"	117.086076	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+2ACN+2H"	84.067652
"1594857"	235.073128	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+K+HCOOH"	84.968628
"1419422"	265.104638	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+H+CF3COOH"	115.000138
"1150437"	137.599351	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+3ACN+2H"	125.094202
"1703638"	282.131185	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+NH4+CF3COOH"	132.026685
"1646946"	287.08658	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+Na+CF3COOH"	136.98208
"1584782"	303.06052	"C20944"	"Ipsdienone;2-Methyl-6-methyleneocta-27-dien-4-one"	"C10H14O"	"150.1045"	"M+K+CF3COOH"	152.95602
"805305"	442.3811	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M"	0
"978838"	423.36271	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-H2O-H"	-19.01839
"69266"	293.913457333333	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M-3H"	-3.021828
"506641"	441.373824	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M-3H"	-3.021828
"884441"	146.453090666667	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-3H"	-3.021828
"5203"	441.373824	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M-2H"	-2.014552
"442580"	662.564374	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M-2H"	-2.014552
"821474"	220.183274	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-2H"	-2.014552
"93988"	883.754924	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M-H"	-1.007276
"531967"	1326.136024	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M-H"	-1.007276
"905394"	441.373824	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-H"	-1.007276
"58679"	900.781471	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M-2H+NH4"	16.019271
"501528"	1343.162571	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M-2H+NH4"	16.019271
"876042"	458.400371	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-2H+NH4"	16.019271
"45035"	905.736866	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M-2H+Na"	20.974666
"485690"	1348.117966	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M-2H+Na"	20.974666
"861307"	463.355766	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-2H+Na"	20.974666
"1620998"	463.355766	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Na-2H"	20.974666
"100807"	459.362163	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M-H+Cl"	33.962126
"544744"	680.552713	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M-H+Cl"	33.962126
"936083"	238.171613	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-H+Cl"	33.962126
"280833"	919.731602	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+Cl"	34.969402
"670341"	1362.112702	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+Cl"	34.969402
"1281650"	477.350502	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Cl"	34.969402
"29550"	921.710806	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M-2H+K"	36.948606
"469233"	1364.091906	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M-2H+K"	36.948606
"843753"	479.329706	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-2H+K"	36.948606
"1569068"	479.329706	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+K-2H"	36.948606
"955491"	487.379294	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-H+HCOOH"	44.998194
"373337"	929.760401	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+HCOOH-H"	44.998201
"360136"	943.776051	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+Hac-H"	59.013851
"1500585"	501.394951	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Hac-H"	59.013851
"970319"	509.361251	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-H+NaCOOH"	66.980151
"121412"	477.350502	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+2Cl"	69.938804
"563155"	698.541052	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+2Cl"	69.938804
"1031956"	256.159952	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2Cl"	69.938804
"1249347"	521.299985	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Br"	78.918885
"1315075"	523.355972	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Cl+HCOOH"	80.974872
"1327105"	545.337929	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Cl+NaCOOH"	102.956829
"919259"	555.366686	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M-H+CF3COOH"	112.985586
"1295968"	591.343364	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Cl+CF3COOH"	148.962264
"1371942"	407.368424	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H-2H2O"	-35.012676
"1390540"	425.3784	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H-H2O"	-17.0027
"292048"	885.769476	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+H"	1.007276
"680459"	1328.150576	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+H"	1.007276
"1356810"	443.388376	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H"	1.007276
"141061"	443.388376	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+2H"	2.014552
"581014"	664.578926	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+2H"	2.014552
"1052409"	222.197826	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2H"	2.014552
"219664"	295.928009333333	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+3H"	3.021828
"657560"	443.388376	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+3H"	3.021828
"1176781"	148.467642666667	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+3H"	3.021828
"430211"	902.796023	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+NH4"	18.033823
"797768"	1345.177123	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+NH4"	18.033823
"1691911"	460.414923	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+NH4"	18.033823
"342376"	451.9016495	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+H+NH4"	19.041099
"733703"	673.0921995	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+H+NH4"	19.041099
"1485334"	230.7110995	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H+NH4"	19.041099
"399643"	907.751418	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+Na"	22.989218
"760648"	1350.132518	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+Na"	22.989218
"1607654"	465.370318	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Na"	22.989218
"318782"	454.379347	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+H+Na"	23.996494
"708045"	675.569897	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+H+Na"	23.996494
"1463201"	233.188797	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H+Na"	23.996494
"1057176"	155.794956666667	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2H+Na"	25.00377
"1259946"	475.414586	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+CH3OH+H"	33.033486
"380706"	923.725358	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+K"	38.963158
"743889"	1366.106458	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+K"	38.963158
"1544846"	481.344258	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+K"	38.963158
"304209"	462.366317	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+H+K"	39.970434
"694444"	683.556867	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+H+K"	39.970434
"1449357"	241.175767	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H+K"	39.970434
"241239"	926.796026	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+ACN+H"	42.033826
"1210914"	484.414926	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+ACN+H"	42.033826
"1201117"	242.711101	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+ACN+2H"	43.041102
"195080"	929.73336	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+2Na-H"	44.97116
"631720"	1372.11446	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+2Na-H"	44.97116
"1139241"	487.35226	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2Na-H"	44.97116
"182538"	465.370318	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+2Na"	45.978436
"623192"	686.560868	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+2Na"	45.978436
"1127064"	244.179768	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2Na"	45.978436
"1408035"	163.122270666667	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H+2Na"	46.985712
"1436872"	489.393846	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H+HCOOH"	47.012746
"235446"	470.40334	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+3H2O+2H"	56.04448
"1523507"	503.44589	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+IsoProp+H"	61.06479
"424047"	473.357288	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+Na+K"	61.952376
"785436"	694.547838	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+Na+K"	61.952376
"1679672"	252.166738	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Na+K"	61.952376
"266189"	948.777968	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+ACN+Na"	64.015768
"1240881"	506.396868	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+ACN+Na"	64.015768
"1726696"	506.420393	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+NH4+HCOOH"	64.039293
"1193624"	170.449584666667	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+3Na"	68.967654
"1664730"	511.375788	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Na+HCOOH"	68.994688
"171713"	961.68124	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+2K-H"	76.91904
"606899"	1404.06234	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+2K-H"	76.91904
"1093598"	519.30014	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2K-H"	76.91904
"148227"	481.344258	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"2M+2K"	77.926316
"586692"	702.534808	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"3M+2K"	77.926316
"1075579"	260.153708	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2K"	77.926316
"1108788"	521.314692	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2K+H"	78.933592
"1342986"	521.402307	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+DMSO+H"	79.021207
"1013704"	525.441476	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2ACN+H"	83.060376
"1529641"	526.435108	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+IsoProp+Na+H"	84.054008
"999371"	263.224376	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+2ACN+2H"	84.067652
"1592781"	527.349728	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+K+HCOOH"	84.968628
"1421720"	557.381238	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+H+CF3COOH"	115.000138
"1150911"	283.737651	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+3ACN+2H"	125.094202
"1705936"	574.407785	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+NH4+CF3COOH"	132.026685
"1647056"	579.36318	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+Na+CF3COOH"	136.98208
"1584892"	595.33712	"C20945"	"Erythrodiol"	"C30H50O2"	"442.3811"	"M+K+CF3COOH"	152.95602
"811976"	440.3654	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M"	0
"978948"	421.34701	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-H2O-H"	-19.01839
"72656"	292.569657333333	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M-3H"	-3.021828
"506748"	439.358124	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M-3H"	-3.021828
"884551"	145.781190666667	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-3H"	-3.021828
"5312"	439.358124	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M-2H"	-2.014552
"443785"	659.540824	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M-2H"	-2.014552
"817288"	219.175424	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-2H"	-2.014552
"93614"	879.723524	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M-H"	-1.007276
"529890"	1320.088924	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M-H"	-1.007276
"906597"	439.358124	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-H"	-1.007276
"56601"	896.750071	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M-2H+NH4"	16.019271
"499443"	1337.115471	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M-2H+NH4"	16.019271
"868496"	456.384671	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-2H+NH4"	16.019271
"39677"	901.705466	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M-2H+Na"	20.974666
"479239"	1342.070866	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M-2H+Na"	20.974666
"860323"	461.340066	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-2H+Na"	20.974666
"1621108"	461.340066	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Na-2H"	20.974666
"100917"	457.346463	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M-H+Cl"	33.962126
"544854"	677.529163	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M-H+Cl"	33.962126
"935088"	237.163763	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-H+Cl"	33.962126
"280943"	915.700202	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+Cl"	34.969402
"673002"	1356.065602	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+Cl"	34.969402
"1283946"	475.334802	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Cl"	34.969402
"28688"	917.679406	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M-2H+K"	36.948606
"467153"	1358.044806	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M-2H+K"	36.948606
"843860"	477.314006	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-2H+K"	36.948606
"1568814"	477.314006	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+K-2H"	36.948606
"957423"	485.363594	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-H+HCOOH"	44.998194
"375271"	925.729001	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+HCOOH-H"	44.998201
"355148"	939.744651	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+Hac-H"	59.013851
"1501788"	499.379251	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Hac-H"	59.013851
"969337"	507.345551	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-H+NaCOOH"	66.980151
"121887"	475.334802	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+2Cl"	69.938804
"562173"	695.517502	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+2Cl"	69.938804
"1034255"	255.152102	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2Cl"	69.938804
"1255290"	519.284285	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Br"	78.918885
"1317373"	521.340272	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Cl+HCOOH"	80.974872
"1329402"	543.322229	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Cl+NaCOOH"	102.956829
"922288"	553.350986	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M-H+CF3COOH"	112.985586
"1296080"	589.327664	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Cl+CF3COOH"	148.962264
"1375334"	405.352724	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H-2H2O"	-35.012676
"1389555"	423.3627	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H-H2O"	-17.0027
"291429"	881.738076	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+H"	1.007276
"681663"	1322.103476	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+H"	1.007276
"1356919"	441.372676	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H"	1.007276
"134185"	441.372676	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+2H"	2.014552
"572653"	661.555376	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+2H"	2.014552
"1052755"	221.189976	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2H"	2.014552
"219453"	294.584209333333	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+3H"	3.021828
"659619"	441.372676	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+3H"	3.021828
"1176769"	147.795742666667	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+3H"	3.021828
"433601"	898.764623	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+NH4"	18.033823
"797878"	1339.130023	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+NH4"	18.033823
"1693844"	458.399223	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+NH4"	18.033823
"340299"	449.8859495	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+H+NH4"	19.041099
"736365"	670.0686495	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+H+NH4"	19.041099
"1488724"	229.7032495	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H+NH4"	19.041099
"399753"	903.720018	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+Na"	22.989218
"765132"	1344.085418	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+Na"	22.989218
"1609950"	463.354618	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Na"	22.989218
"323266"	452.363647	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+H+Na"	23.996494
"712407"	672.546347	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+H+Na"	23.996494
"1467320"	232.180947	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H+Na"	23.996494
"1059472"	155.123056666667	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2H+Na"	25.00377
"1259326"	473.398886	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+CH3OH+H"	33.033486
"379722"	919.693958	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+K"	38.963158
"742905"	1360.059358	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+K"	38.963158
"1544957"	479.328558	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+K"	38.963158
"303227"	460.350617	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+H+K"	39.970434
"698927"	680.533317	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+H+K"	39.970434
"1449469"	240.167917	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H+K"	39.970434
"239162"	922.764626	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+ACN+H"	42.033826
"1211024"	482.399226	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+ACN+H"	42.033826
"1201227"	241.703251	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+ACN+2H"	43.041102
"193003"	925.70196	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+2Na-H"	44.97116
"630373"	1366.06736	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+2Na-H"	44.97116
"1139351"	485.33656	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2Na-H"	44.97116
"181554"	463.354618	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+2Na"	45.978436
"624028"	683.537318	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+2Na"	45.978436
"1127538"	243.171918	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2Na"	45.978436
"1408143"	162.450370666667	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H+2Na"	46.985712
"1440260"	487.378146	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H+HCOOH"	47.012746
"235434"	468.38764	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+3H2O+2H"	56.04448
"1522400"	501.43019	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+IsoProp+H"	61.06479
"423790"	471.341588	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+Na+K"	61.952376
"784178"	691.524288	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+Na+K"	61.952376
"1680147"	251.158888	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Na+K"	61.952376
"264478"	944.746568	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+ACN+Na"	64.015768
"1240712"	504.381168	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+ACN+Na"	64.015768
"1726802"	504.404693	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+NH4+HCOOH"	64.039293
"1192885"	169.777684666667	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+3Na"	68.967654
"1664838"	509.360088	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Na+HCOOH"	68.994688
"172429"	957.64984	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+2K-H"	76.91904
"610289"	1398.01524	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+2K-H"	76.91904
"1093708"	517.28444	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2K-H"	76.91904
"154898"	479.328558	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"2M+2K"	77.926316
"588991"	699.511258	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"3M+2K"	77.926316
"1081157"	259.145858	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2K"	77.926316
"1113273"	519.298992	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2K+H"	78.933592
"1345283"	519.386607	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+DMSO+H"	79.021207
"1014908"	523.425776	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2ACN+H"	83.060376
"1530846"	524.419408	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+IsoProp+Na+H"	84.054008
"999483"	262.216526	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+2ACN+2H"	84.067652
"1592891"	525.334028	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+K+HCOOH"	84.968628
"1419643"	555.365538	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+H+CF3COOH"	115.000138
"1155398"	282.729801	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+3ACN+2H"	125.094202
"1708233"	572.392085	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+NH4+CF3COOH"	132.026685
"1640605"	577.34748	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+Na+CF3COOH"	136.98208
"1585002"	593.32142	"C20946"	"Oleanolic aldehyde"	"C30H48O2"	"440.3654"	"M+K+CF3COOH"	152.95602
"814273"	1059.3918	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M"	0
"980151"	1040.37341	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H2O-H"	-19.01839
"71673"	705.253924	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-3H"	-3.021828
"511233"	1058.384524	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-3H"	-3.021828
"887941"	352.123324	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-3H"	-3.021828
"6515"	1058.384524	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H"	-2.014552
"442801"	1588.080424	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H"	-2.014552
"818415"	528.688624	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H"	-2.014552
"93237"	2117.776324	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-H"	-1.007276
"532187"	3177.168124	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-H"	-1.007276
"907801"	1058.384524	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H"	-1.007276
"58898"	2134.802871	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H+NH4"	16.019271
"499554"	3194.194671	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H+NH4"	16.019271
"867513"	1075.411071	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H+NH4"	16.019271
"41974"	2139.758266	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H+Na"	20.974666
"479349"	3199.150066	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H+Na"	20.974666
"859340"	1080.366466	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H+Na"	20.974666
"1620488"	1080.366466	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na-2H"	20.974666
"97747"	1076.372863	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-H+Cl"	33.962126
"544964"	1606.068763	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-H+Cl"	33.962126
"935198"	546.676963	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+Cl"	33.962126
"275942"	2153.753002	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Cl"	34.969402
"662895"	3213.144802	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+Cl"	34.969402
"1278580"	1094.361202	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl"	34.969402
"29526"	2155.732206	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M-2H+K"	36.948606
"468357"	3215.124006	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M-2H+K"	36.948606
"843970"	1096.340406	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-2H+K"	36.948606
"1568556"	1096.340406	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K-2H"	36.948606
"957045"	1104.389994	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+HCOOH"	44.998194
"371370"	2163.781801	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+HCOOH-H"	44.998201
"357080"	2177.797451	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Hac-H"	59.013851
"1500805"	1118.405651	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Hac-H"	59.013851
"969447"	1126.371951	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+NaCOOH"	66.980151
"123818"	1094.361202	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2Cl"	69.938804
"563376"	1624.057102	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2Cl"	69.938804
"1036187"	564.665302	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2Cl"	69.938804
"1255035"	1138.310685	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Br"	78.918885
"1317483"	1140.366672	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl+HCOOH"	80.974872
"1327325"	1162.348629	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl+NaCOOH"	102.956829
"920575"	1172.377386	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M-H+CF3COOH"	112.985586
"1296190"	1208.354064	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Cl+CF3COOH"	148.962264
"1375444"	1024.379124	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H-2H2O"	-35.012676
"1390750"	1042.3891	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H-H2O"	-17.0027
"286427"	2119.790876	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H"	1.007276
"682866"	3179.182676	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H"	1.007276
"1359944"	1060.399076	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H"	1.007276
"128095"	1060.399076	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2H"	2.014552
"567294"	1590.094976	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2H"	2.014552
"1040466"	530.703176	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2H"	2.014552
"219874"	707.268476	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+3H"	3.021828
"658875"	1060.399076	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+3H"	3.021828
"1176637"	354.137876	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+3H"	3.021828
"435898"	2136.817423	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+NH4"	18.033823
"795800"	3196.209223	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+NH4"	18.033823
"1693590"	1077.425623	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+NH4"	18.033823
"342598"	1068.9123495	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H+NH4"	19.041099
"735018"	1598.6082495	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H+NH4"	19.041099
"1489928"	539.2164495	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+NH4"	19.041099
"400956"	2141.772818	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Na"	22.989218
"767065"	3201.164618	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+Na"	22.989218
"1612246"	1082.381018	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na"	22.989218
"319002"	1071.390047	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H+Na"	23.996494
"713611"	1601.085947	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H+Na"	23.996494
"1465241"	541.694147	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+Na"	23.996494
"1057395"	361.46519	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2H+Na"	25.00377
"1258707"	1092.425286	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+CH3OH+H"	33.033486
"379832"	2157.746758	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+K"	38.963158
"743013"	3217.138558	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+K"	38.963158
"1546159"	1098.354958	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K"	38.963158
"304429"	1079.377017	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+H+K"	39.970434
"696851"	1609.072917	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+H+K"	39.970434
"1448485"	549.681117	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+K"	39.970434
"241458"	2160.817426	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+ACN+H"	42.033826
"1214172"	1101.425626	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+ACN+H"	42.033826
"1202430"	551.216451	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+ACN+2H"	43.041102
"194206"	2163.75476	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2Na-H"	44.97116
"634858"	3223.14656	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2Na-H"	44.97116
"1139461"	1104.36296	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2Na-H"	44.97116
"182757"	1082.381018	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2Na"	45.978436
"624503"	1612.076918	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2Na"	45.978436
"1126918"	552.685118	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2Na"	45.978436
"1408253"	368.792504	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+2Na"	46.985712
"1442557"	1106.404546	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+HCOOH"	47.012746
"233353"	1087.41404	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+3H2O+2H"	56.04448
"1522510"	1120.45659	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+IsoProp+H"	61.06479
"422196"	1090.367988	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+Na+K"	61.952376
"784529"	1620.063888	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+Na+K"	61.952376
"1677338"	560.672088	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na+K"	61.952376
"266410"	2182.799368	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+ACN+Na"	64.015768
"1240577"	1123.407568	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+ACN+Na"	64.015768
"1727274"	1123.431093	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+NH4+HCOOH"	64.039293
"1192990"	376.119818	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+3Na"	68.967654
"1660695"	1128.386488	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na+HCOOH"	68.994688
"165368"	2195.70264	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2K-H"	76.91904
"606023"	3255.09444	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2K-H"	76.91904
"1094911"	1136.31084	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2K-H"	76.91904
"152821"	1098.354958	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"2M+2K"	77.926316
"589101"	1628.050858	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"3M+2K"	77.926316
"1080174"	568.659058	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2K"	77.926316
"1109009"	1138.325392	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2K+H"	78.933592
"1345393"	1138.413007	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+DMSO+H"	79.021207
"1012832"	1142.452176	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2ACN+H"	83.060376
"1529863"	1143.445808	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+IsoProp+Na+H"	84.054008
"1000686"	571.729726	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+2ACN+2H"	84.067652
"1593001"	1144.360428	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K+HCOOH"	84.968628
"1421940"	1174.391938	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+H+CF3COOH"	115.000138
"1152228"	592.243001	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+3ACN+2H"	125.094202
"1702876"	1191.418485	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+NH4+CF3COOH"	132.026685
"1640715"	1196.37388	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+Na+CF3COOH"	136.98208
"1585112"	1212.34782	"C20947"	"(Z)-Icos-5-enoyl-CoA"	"C41H72N7O17P3S"	"1059.3918"	"M+K+CF3COOH"	152.95602
"805639"	182.0579	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M"	0
"982451"	163.03951	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"75805"	120.364657333333	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"512449"	181.050624	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"886972"	59.6786906666667	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"3359"	181.050624	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"448385"	272.079574	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"818535"	90.021674	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"80714"	363.108524	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"521371"	545.166424	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"906100"	181.050624	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"50267"	380.135071	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"490922"	562.192971	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"870912"	198.077171	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"41727"	385.090466	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"476186"	567.148366	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"853989"	203.032566	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1627894"	203.032566	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"106979"	199.038963	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"547998"	290.067913	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"938229"	108.010013	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"273875"	399.085202	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"669577"	581.143102	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1287449"	217.027302	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"31171"	401.064406	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"470299"	583.122306	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"848103"	219.006506	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1570981"	219.006506	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"954369"	227.056094	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"372225"	409.114001	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"360844"	423.129651	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1502025"	241.071751	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"966286"	249.038051	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"121019"	217.027302	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"558026"	308.056252	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1032300"	125.998352	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1251877"	260.976785	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1316147"	263.032772	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1331819"	285.014729	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"926158"	295.043486	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1295218"	331.020164	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1370098"	147.045224	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1396344"	165.0552	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"297614"	365.123076	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"689549"	547.180976	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1366591"	183.065176	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"138790"	183.065176	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"578350"	274.094126	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1051770"	92.036226	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"215051"	122.379209333333	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"658379"	183.065176	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1170548"	61.6932426666667	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"439661"	382.149623	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"800047"	564.207523	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1694799"	200.091723	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"338340"	191.5784495	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"732948"	282.6073995	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1490049"	100.5494995	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"406178"	387.105018	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"763163"	569.162918	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1616850"	205.047118	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"325671"	194.056147	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"714811"	285.085097	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1469724"	103.027197	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1059689"	69.0205566666667	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1269023"	215.091386	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"381037"	403.078958	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"745310"	585.136858	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1544084"	221.021058	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"302353"	202.043117	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"693316"	293.072067	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1445923"	111.014167	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"240486"	406.149626	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1211005"	224.091726	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1206922"	112.549501	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"195421"	409.08696	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"638260"	591.14486	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1141767"	227.02906	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"182874"	205.047118	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"619153"	296.076068	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1122657"	114.018168	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1405090"	76.3478706666667	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1436112"	229.070646	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"232370"	210.08014	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1521526"	243.12269	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"421213"	213.034088	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"783303"	304.063038	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1680606"	122.005138	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"265306"	428.131568	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1240322"	246.073668	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1724467"	246.097193	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1189824"	83.6751846666667	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1655706"	251.052588	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"158558"	441.03484	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"600670"	623.09274	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1086276"	258.97694	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"146374"	221.021058	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"584113"	312.050008	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1074818"	129.992108	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1103651"	260.991492	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1341131"	261.079107	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1015134"	265.118276	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1531070"	266.111908	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"993143"	133.062776	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1592022"	267.026528	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1418776"	297.058038	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1155625"	153.576051	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1710644"	314.084585	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1640827"	319.03998	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1585226"	335.01392	"C20953"	"3-(4R)-4-Hydroxycyclohexa-15-dien-1-yl-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"805749"	205.998	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M"	0
"980374"	186.97961	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-H2O-H"	-19.01839
"77372"	136.324724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M-3H"	-3.021828
"515839"	204.990724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M-3H"	-3.021828
"883803"	67.658724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-3H"	-3.021828
"4562"	204.990724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M-2H"	-2.014552
"448495"	307.989724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M-2H"	-2.014552
"820831"	101.991724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-2H"	-2.014552
"81916"	410.988724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M-H"	-1.007276
"519657"	616.986724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M-H"	-1.007276
"902565"	204.990724	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-H"	-1.007276
"49284"	428.015271	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M-2H+NH4"	16.019271
"488845"	634.013271	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M-2H+NH4"	16.019271
"871022"	222.017271	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-2H+NH4"	16.019271
"36734"	432.970666	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M-2H+Na"	20.974666
"471591"	638.968666	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M-2H+Na"	20.974666
"849032"	226.972666	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-2H+Na"	20.974666
"1622535"	226.972666	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Na-2H"	20.974666
"103443"	222.979063	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M-H+Cl"	33.962126
"541910"	325.978063	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M-H+Cl"	33.962126
"938339"	119.980063	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-H+Cl"	33.962126
"279085"	446.965402	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+Cl"	34.969402
"668588"	652.963402	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+Cl"	34.969402
"1280630"	240.967402	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Cl"	34.969402
"27563"	448.944606	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M-2H+K"	36.948606
"469311"	654.942606	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M-2H+K"	36.948606
"844925"	242.946606	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-2H+K"	36.948606
"1570848"	242.946606	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+K-2H"	36.948606
"956300"	250.996194	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-H+HCOOH"	44.998194
"373061"	456.994201	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+HCOOH-H"	44.998201
"359491"	471.009851	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+Hac-H"	59.013851
"1501769"	265.011851	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Hac-H"	59.013851
"970765"	272.978151	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-H+NaCOOH"	66.980151
"119669"	240.967402	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+2Cl"	69.938804
"560322"	343.966402	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+2Cl"	69.938804
"1032046"	137.968402	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2Cl"	69.938804
"1251624"	284.916885	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Br"	78.918885
"1316255"	286.972872	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Cl+HCOOH"	80.974872
"1333387"	308.954829	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Cl+NaCOOH"	102.956829
"923717"	318.983586	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M-H+CF3COOH"	112.985586
"1296420"	354.960264	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Cl+CF3COOH"	148.962264
"1370208"	170.985324	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H-2H2O"	-35.012676
"1394266"	188.9953	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H-H2O"	-17.0027
"292860"	413.003276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+H"	1.007276
"688563"	619.001276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+H"	1.007276
"1366009"	207.005276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H"	1.007276
"133430"	207.005276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+2H"	2.014552
"572990"	310.004276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+2H"	2.014552
"1052000"	104.006276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2H"	2.014552
"217347"	138.339276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+3H"	3.021828
"658611"	207.005276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+3H"	3.021828
"1169565"	69.673276	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+3H"	3.021828
"439043"	430.029823	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+NH4"	18.033823
"799915"	636.027823	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+NH4"	18.033823
"1693450"	224.031823	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+NH4"	18.033823
"338450"	215.5185495	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+H+NH4"	19.041099
"731964"	318.5175495	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+H+NH4"	19.041099
"1487972"	112.5195495	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H+NH4"	19.041099
"404101"	434.985218	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+Na"	22.989218
"763273"	640.983218	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+Na"	22.989218
"1615379"	228.987218	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Na"	22.989218
"320313"	217.996247	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+H+Na"	23.996494
"714921"	320.995247	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+H+Na"	23.996494
"1469833"	114.997247	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H+Na"	23.996494
"1061985"	77.00059	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2H+Na"	25.00377
"1265853"	239.031486	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+CH3OH+H"	33.033486
"385521"	450.959158	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+K"	38.963158
"748699"	656.957158	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+K"	38.963158
"1545284"	244.961158	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+K"	38.963158
"302463"	225.983217	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+H+K"	39.970434
"693426"	328.982217	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+H+K"	39.970434
"1449070"	122.984217	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H+K"	39.970434
"240960"	454.029826	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+ACN+H"	42.033826
"1210506"	248.031826	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+ACN+H"	42.033826
"1204846"	124.519551	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+ACN+2H"	43.041102
"196625"	456.96716	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+2Na-H"	44.97116
"640192"	662.96516	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+2Na-H"	44.97116
"1140784"	250.96916	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2Na-H"	44.97116
"182984"	228.987218	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+2Na"	45.978436
"618170"	331.986218	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+2Na"	45.978436
"1120945"	125.988218	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2Na"	45.978436
"1405200"	84.327904	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H+2Na"	46.985712
"1441690"	253.010746	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H+HCOOH"	47.012746
"234546"	234.02024	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+3H2O+2H"	56.04448
"1521515"	267.06279	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+IsoProp+H"	61.06479
"421689"	236.974188	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+Na+K"	61.952376
"783658"	339.973188	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+Na+K"	61.952376
"1678648"	133.975188	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Na+K"	61.952376
"262985"	476.011768	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+ACN+Na"	64.015768
"1235696"	270.013768	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+ACN+Na"	64.015768
"1722390"	270.037293	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+NH4+HCOOH"	64.039293
"1188840"	91.655218	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+3Na"	68.967654
"1658732"	274.992688	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Na+HCOOH"	68.994688
"160855"	488.91504	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+2K-H"	76.91904
"604060"	694.91304	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+2K-H"	76.91904
"1086386"	282.91704	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2K-H"	76.91904
"146484"	244.961158	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"2M+2K"	77.926316
"587139"	347.960158	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"3M+2K"	77.926316
"1070556"	141.962158	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2K"	77.926316
"1108136"	284.931592	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2K+H"	78.933592
"1342335"	285.019207	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+DMSO+H"	79.021207
"1013057"	289.058376	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2ACN+H"	83.060376
"1532274"	290.052008	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+IsoProp+Na+H"	84.054008
"992160"	145.032826	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+2ACN+2H"	84.067652
"1593225"	290.966628	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+K+HCOOH"	84.968628
"1424353"	320.998138	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+H+CF3COOH"	115.000138
"1155735"	165.546101	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+3ACN+2H"	125.094202
"1709660"	338.024685	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+NH4+CF3COOH"	132.026685
"1640937"	342.98008	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+Na+CF3COOH"	136.98208
"1585336"	358.95402	"C20954"	"(5-Formylfuran-3-yl)methyl phosphate;2-Furaldehyde phosphate;4-HFC-P;4-(Hydroxymethyl)-2-furancarboxaldehyde phosphate"	"C6H7O6P"	"205.998"	"M+K+CF3COOH"	152.95602
"809139"	867.1135	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M"	0
"985952"	848.09511	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-H2O-H"	-19.01839
"72015"	577.068390666667	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M-3H"	-3.021828
"512669"	866.106224	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M-3H"	-3.021828
"888284"	288.030557333333	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-3H"	-3.021828
"3579"	866.106224	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M-2H"	-2.014552
"443140"	1299.662974	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M-2H"	-2.014552
"817414"	432.549474	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-2H"	-2.014552
"80202"	1733.219724	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M-H"	-1.007276
"522685"	2600.333224	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M-H"	-1.007276
"895854"	866.106224	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-H"	-1.007276
"48175"	1750.246271	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M-2H+NH4"	16.019271
"487487"	2617.359771	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M-2H+NH4"	16.019271
"871133"	883.132771	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-2H+NH4"	16.019271
"33564"	1755.201666	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M-2H+Na"	20.974666
"475305"	2622.315166	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M-2H+Na"	20.974666
"850073"	888.088166	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-2H+Na"	20.974666
"1620458"	888.088166	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Na-2H"	20.974666
"95898"	884.094563	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M-H+Cl"	33.962126
"535823"	1317.651313	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M-H+Cl"	33.962126
"932254"	450.537813	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-H+Cl"	33.962126
"271174"	1769.196402	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+Cl"	34.969402
"665785"	2636.309902	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+Cl"	34.969402
"1278916"	902.082902	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Cl"	34.969402
"20382"	1771.175606	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M-2H+K"	36.948606
"470150"	2638.289106	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M-2H+K"	36.948606
"845036"	904.062106	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-2H+K"	36.948606
"1569861"	904.062106	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+K-2H"	36.948606
"954957"	912.111694	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-H+HCOOH"	44.998194
"376086"	1779.225201	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+HCOOH-H"	44.998201
"359237"	1793.240851	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+Hac-H"	59.013851
"1505523"	926.127351	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Hac-H"	59.013851
"970510"	934.093651	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-H+NaCOOH"	66.980151
"121967"	902.082902	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+2Cl"	69.938804
"560798"	1335.639652	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+2Cl"	69.938804
"1034704"	468.526152	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2Cl"	69.938804
"1253190"	946.032385	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Br"	78.918885
"1314178"	948.088372	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Cl+HCOOH"	80.974872
"1332768"	970.070329	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Cl+NaCOOH"	102.956829
"921640"	980.099086	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M-H+CF3COOH"	112.985586
"1297623"	1016.075764	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Cl+CF3COOH"	148.962264
"1376878"	832.100824	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H-2H2O"	-35.012676
"1394376"	850.1108	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H-H2O"	-17.0027
"295157"	1735.234276	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+H"	1.007276
"687579"	2602.347776	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+H"	1.007276
"1365754"	868.120776	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H"	1.007276
"137915"	868.120776	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+2H"	2.014552
"572006"	1301.677526	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+2H"	2.014552
"1048461"	434.564026	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2H"	2.014552
"218550"	579.082942666667	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+3H"	3.021828
"652643"	868.120776	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+3H"	3.021828
"1169675"	290.045109333333	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+3H"	3.021828
"439518"	1752.260823	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+NH4"	18.033823
"799414"	2619.374323	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+NH4"	18.033823
"1695743"	885.147323	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+NH4"	18.033823
"340745"	876.6340495	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+H+NH4"	19.041099
"730981"	1310.1907995	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+H+NH4"	19.041099
"1481523"	443.0772995	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H+NH4"	19.041099
"396556"	1757.216218	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+Na"	22.989218
"759008"	2624.329718	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+Na"	22.989218
"1608198"	890.102718	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Na"	22.989218
"319328"	879.111747	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+H+Na"	23.996494
"708223"	1312.668497	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+H+Na"	23.996494
"1465934"	445.554997	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H+Na"	23.996494
"1055533"	297.372423333333	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2H+Na"	25.00377
"1260491"	900.146986	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+CH3OH+H"	33.033486
"382347"	1773.190158	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+K"	38.963158
"741154"	2640.303658	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+K"	38.963158
"1544302"	906.076658	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+K"	38.963158
"301480"	887.098717	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+H+K"	39.970434
"696088"	1320.655467	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+H+K"	39.970434
"1449913"	453.541967	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H+K"	39.970434
"240705"	1776.260826	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+ACN+H"	42.033826
"1219977"	909.147326	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+ACN+H"	42.033826
"1202767"	455.077301	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+ACN+2H"	43.041102
"198919"	1779.19816	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+2Na-H"	44.97116
"636292"	2646.31166	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+2Na-H"	44.97116
"1140532"	912.08466	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2Na-H"	44.97116
"183094"	890.102718	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+2Na"	45.978436
"620467"	1323.659468	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+2Na"	45.978436
"1119233"	456.545968	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2Na"	45.978436
"1409684"	304.699737333333	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H+2Na"	46.985712
"1441800"	914.126246	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H+HCOOH"	47.012746
"231497"	895.13574	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+3H2O+2H"	56.04448
"1515186"	928.17829	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+IsoProp+H"	61.06479
"415236"	898.089688	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+Na+K"	61.952376
"782426"	1331.646438	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+Na+K"	61.952376
"1678759"	464.532938	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Na+K"	61.952376
"263092"	1798.242768	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+ACN+Na"	64.015768
"1237988"	931.129268	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+ACN+Na"	64.015768
"1722501"	931.152793	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+NH4+HCOOH"	64.039293
"1186034"	312.027051333333	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+3Na"	68.967654
"1655197"	936.108188	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Na+HCOOH"	68.994688
"160965"	1811.14604	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+2K-H"	76.91904
"604171"	2678.25954	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+2K-H"	76.91904
"1091963"	944.03254	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2K-H"	76.91904
"146595"	906.076658	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"2M+2K"	77.926316
"584696"	1339.633408	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"3M+2K"	77.926316
"1069692"	472.519908	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2K"	77.926316
"1101686"	946.047092	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2K+H"	78.933592
"1337345"	946.134707	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+DMSO+H"	79.021207
"1007816"	950.173876	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2ACN+H"	83.060376
"1525216"	951.167508	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+IsoProp+Na+H"	84.054008
"993363"	475.590576	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+2ACN+2H"	84.067652
"1590054"	952.082128	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+K+HCOOH"	84.968628
"1418997"	982.113638	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+H+CF3COOH"	115.000138
"1152566"	496.103851	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+3ACN+2H"	125.094202
"1706490"	999.140185	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+NH4+CF3COOH"	132.026685
"1647608"	1004.09558	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+Na+CF3COOH"	136.98208
"1585445"	1020.06952	"C20955"	"3-(Methylthio)acryloyl-CoA;Methylthioacryloyl-CoA"	"C25H40N7O17P3S2"	"867.1135"	"M+K+CF3COOH"	152.95602
"815810"	290.0403	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M"	0
"982782"	271.02191	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H2O-H"	-19.01839
"75406"	192.352924	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-3H"	-3.021828
"512779"	289.033024	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-3H"	-3.021828
"884023"	95.672824	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-3H"	-3.021828
"9157"	289.033024	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H"	-2.014552
"445438"	434.053174	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H"	-2.014552
"821052"	144.012874	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H"	-2.014552
"79950"	579.073324	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H"	-1.007276
"519389"	869.113624	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H"	-1.007276
"895967"	289.033024	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H"	-1.007276
"47798"	596.099871	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+NH4"	16.019271
"487718"	886.140171	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+NH4"	16.019271
"865773"	306.059571	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+NH4"	16.019271
"32943"	601.055266	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+Na"	20.974666
"473104"	891.095566	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+Na"	20.974666
"849247"	311.014966	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+Na"	20.974666
"1619593"	311.014966	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na-2H"	20.974666
"102568"	307.021363	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-H+Cl"	33.962126
"537026"	452.041513	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-H+Cl"	33.962126
"932363"	162.001213	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+Cl"	33.962126
"272013"	615.050002	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Cl"	34.969402
"664438"	905.090302	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Cl"	34.969402
"1279026"	325.009702	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl"	34.969402
"24866"	617.029206	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M-2H+K"	36.948606
"468072"	907.069506	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M-2H+K"	36.948606
"847333"	326.988906	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-2H+K"	36.948606
"1567176"	326.988906	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K-2H"	36.948606
"956525"	335.038494	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+HCOOH"	44.998194
"376440"	625.078801	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+HCOOH-H"	44.998201
"359347"	639.094451	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Hac-H"	59.013851
"1506725"	349.054151	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Hac-H"	59.013851
"972442"	357.020451	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+NaCOOH"	66.980151
"120982"	325.009702	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Cl"	69.938804
"561272"	470.029852	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Cl"	69.938804
"1032994"	179.989552	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Cl"	69.938804
"1251114"	368.959185	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Br"	78.918885
"1314288"	371.015172	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+HCOOH"	80.974872
"1331056"	392.997129	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+NaCOOH"	102.956829
"922114"	403.025886	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M-H+CF3COOH"	112.985586
"1297735"	439.002564	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Cl+CF3COOH"	148.962264
"1376989"	255.027624	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-2H2O"	-35.012676
"1395581"	273.0376	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H-H2O"	-17.0027
"297090"	581.087876	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H"	1.007276
"689877"	871.128176	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H"	1.007276
"1365135"	291.047576	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H"	1.007276
"139117"	291.047576	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2H"	2.014552
"577585"	436.067726	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2H"	2.014552
"1048571"	146.027426	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H"	2.014552
"218660"	194.367476	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H"	3.021828
"654939"	291.047576	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+3H"	3.021828
"1169784"	97.687376	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3H"	3.021828
"438773"	598.114423	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+NH4"	18.033823
"798794"	888.154723	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+NH4"	18.033823
"1695489"	308.074123	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4"	18.033823
"339762"	299.5608495	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+NH4"	19.041099
"732183"	444.5809995	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+NH4"	19.041099
"1483817"	154.5406995	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+NH4"	19.041099
"399215"	603.069818	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na"	22.989218
"759118"	893.110118	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na"	22.989218
"1609402"	313.029518	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na"	22.989218
"315793"	302.038547	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+Na"	23.996494
"708577"	447.058697	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+Na"	23.996494
"1466773"	157.018397	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+Na"	23.996494
"1053698"	105.01469	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2H+Na"	25.00377
"1257807"	323.073786	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+CH3OH+H"	33.033486
"379543"	619.043758	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+K"	38.963158
"742357"	909.084058	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+K"	38.963158
"1541497"	329.003458	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K"	38.963158
"300497"	310.025517	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+H+K"	39.970434
"694012"	455.045667	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+H+K"	39.970434
"1453302"	165.005367	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+K"	39.970434
"240814"	622.114426	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+H"	42.033826
"1221179"	332.074126	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+H"	42.033826
"1201783"	166.540701	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+2H"	43.041102
"199028"	625.05176	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na-H"	44.97116
"638590"	915.09206	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na-H"	44.97116
"1142826"	335.01146	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na-H"	44.97116
"182111"	313.029518	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2Na"	45.978436
"618754"	458.049668	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2Na"	45.978436
"1120072"	168.009368	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2Na"	45.978436
"1408700"	112.342004	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+2Na"	46.985712
"1439723"	337.053046	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+HCOOH"	47.012746
"232700"	318.06254	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+3H2O+2H"	56.04448
"1519670"	351.10509	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+H"	61.06479
"412795"	321.016488	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+Na+K"	61.952376
"780350"	466.036638	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+Na+K"	61.952376
"1677776"	175.996338	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+K"	61.952376
"264295"	644.096368	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+ACN+Na"	64.015768
"1239191"	354.056068	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+ACN+Na"	64.015768
"1722975"	354.079593	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+HCOOH"	64.039293
"1189060"	119.669318	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3Na"	68.967654
"1661139"	359.034988	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+HCOOH"	68.994688
"165814"	656.99964	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K-H"	76.91904
"606107"	947.03994	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K-H"	76.91904
"1090981"	366.95934	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K-H"	76.91904
"149985"	329.003458	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"2M+2K"	77.926316
"585172"	474.023608	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"3M+2K"	77.926316
"1069682"	183.983308	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K"	77.926316
"1105077"	368.973892	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2K+H"	78.933592
"1336482"	369.061507	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+DMSO+H"	79.021207
"1008900"	373.100676	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+H"	83.060376
"1527029"	374.094308	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+IsoProp+Na+H"	84.054008
"994566"	187.053976	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+2ACN+2H"	84.067652
"1587849"	375.008928	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+HCOOH"	84.968628
"1419105"	405.040438	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+H+CF3COOH"	115.000138
"1152675"	207.567251	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+3ACN+2H"	125.094202
"1706600"	422.066985	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+NH4+CF3COOH"	132.026685
"1647718"	427.02238	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+Na+CF3COOH"	136.98208
"1585555"	442.99632	"C20956"	"alpha-D-Sedoheptulopyranose 7-phosphate"	"C7H15O10P"	"290.0403"	"M+K+CF3COOH"	152.95602
"806079"	218.0903	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M"	0
"982892"	199.07191	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-H2O-H"	-19.01839
"76610"	144.386257333333	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M-3H"	-3.021828
"515075"	217.083024	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M-3H"	-3.021828
"887413"	71.6894906666667	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-3H"	-3.021828
"9267"	217.083024	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H"	-2.014552
"445548"	326.128174	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H"	-2.014552
"820433"	108.037874	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H"	-2.014552
"82248"	435.173324	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M-H"	-1.007276
"526185"	653.263624	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M-H"	-1.007276
"897791"	217.083024	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-H"	-1.007276
"50708"	452.199871	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H+NH4"	16.019271
"488197"	670.290171	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H+NH4"	16.019271
"866007"	234.109571	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H+NH4"	16.019271
"33904"	457.155266	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H+Na"	20.974666
"472486"	675.245566	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H+Na"	20.974666
"848912"	239.064966	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H+Na"	20.974666
"1619706"	239.064966	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na-2H"	20.974666
"101584"	235.071363	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M-H+Cl"	33.962126
"536407"	344.116513	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M-H+Cl"	33.962126
"930650"	126.026213	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+Cl"	33.962126
"269571"	471.150002	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Cl"	34.969402
"665276"	689.240302	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+Cl"	34.969402
"1278771"	253.059702	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl"	34.969402
"21696"	473.129206	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H+K"	36.948606
"461254"	691.219506	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H+K"	36.948606
"847893"	255.038906	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H+K"	36.948606
"1567286"	255.038906	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+K-2H"	36.948606
"957000"	263.088494	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+HCOOH"	44.998194
"376917"	481.178801	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+HCOOH-H"	44.998201
"359457"	495.194451	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Hac-H"	59.013851
"1506836"	277.104151	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Hac-H"	59.013851
"972188"	285.070451	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+NaCOOH"	66.980151
"119999"	253.059702	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2Cl"	69.938804
"561746"	362.104852	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2Cl"	69.938804
"1033467"	144.014552	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2Cl"	69.938804
"1253047"	297.009185	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Br"	78.918885
"1315855"	299.065172	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl+HCOOH"	80.974872
"1332988"	321.047129	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl+NaCOOH"	102.956829
"924413"	331.075886	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+CF3COOH"	112.985586
"1301125"	367.052564	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl+CF3COOH"	148.962264
"1377099"	183.077624	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H-2H2O"	-35.012676
"1395691"	201.0876	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H-H2O"	-17.0027
"296471"	437.187876	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H"	1.007276
"689623"	655.278176	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H"	1.007276
"1366937"	219.097576	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H"	1.007276
"140321"	219.097576	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2H"	2.014552
"576601"	328.142726	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2H"	2.014552
"1052331"	110.052426	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2H"	2.014552
"217678"	146.400809333333	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+3H"	3.021828
"656142"	219.097576	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+3H"	3.021828
"1173173"	73.7040426666667	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+3H"	3.021828
"439373"	454.214423	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+NH4"	18.033823
"798177"	672.304723	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+NH4"	18.033823
"1696616"	236.124123	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+NH4"	18.033823
"339872"	227.6108495	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H+NH4"	19.041099
"732293"	336.6559995	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H+NH4"	19.041099
"1483927"	118.5656995	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+NH4"	19.041099
"396411"	459.169818	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Na"	22.989218
"758135"	677.260118	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+Na"	22.989218
"1604169"	241.079518	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na"	22.989218
"319550"	230.088547	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H+Na"	23.996494
"711969"	339.133697	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H+Na"	23.996494
"1465791"	121.043397	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+Na"	23.996494
"1054295"	81.0313566666667	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2H+Na"	25.00377
"1262901"	251.123786	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+CH3OH+H"	33.033486
"380383"	475.143758	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+K"	38.963158
"744657"	693.234058	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+K"	38.963158
"1540393"	257.053458	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+K"	38.963158
"299635"	238.075517	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H+K"	39.970434
"695216"	347.120667	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H+K"	39.970434
"1452319"	129.030367	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+K"	39.970434
"240925"	478.214426	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+ACN+H"	42.033826
"1218010"	260.124126	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+ACN+H"	42.033826
"1199706"	130.565701	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+ACN+2H"	43.041102
"198044"	481.15176	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2Na-H"	44.97116
"640521"	699.24206	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2Na-H"	44.97116
"1142206"	263.06146	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2Na-H"	44.97116
"182216"	241.079518	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2Na"	45.978436
"619593"	350.124668	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2Na"	45.978436
"1122003"	132.034368	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2Na"	45.978436
"1407717"	88.3586706666667	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+2Na"	46.985712
"1439833"	265.103046	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+HCOOH"	47.012746
"226249"	246.11254	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+3H2O+2H"	56.04448
"1513219"	279.15509	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+IsoProp+H"	61.06479
"417278"	249.066488	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Na+K"	61.952376
"778273"	358.111638	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+Na+K"	61.952376
"1673510"	140.021338	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na+K"	61.952376
"263311"	500.196368	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+ACN+Na"	64.015768
"1237118"	282.106068	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+ACN+Na"	64.015768
"1724545"	282.129593	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+NH4+HCOOH"	64.039293
"1188076"	95.6859846666667	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+3Na"	68.967654
"1660155"	287.084988	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na+HCOOH"	68.994688
"167017"	513.09964	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2K-H"	76.91904
"606578"	731.18994	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2K-H"	76.91904
"1094370"	295.00934	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2K-H"	76.91904
"149002"	257.053458	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2K"	77.926316
"587469"	366.098608	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2K"	77.926316
"1071979"	148.008308	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2K"	77.926316
"1103001"	297.023892	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2K+H"	78.933592
"1337443"	297.111507	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+DMSO+H"	79.021207
"1010104"	301.150676	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2ACN+H"	83.060376
"1532606"	302.144308	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+IsoProp+Na+H"	84.054008
"992490"	151.078976	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+2ACN+2H"	84.067652
"1588207"	303.058928	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+K+HCOOH"	84.968628
"1423589"	333.090438	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+CF3COOH"	115.000138
"1156065"	171.592251	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+3ACN+2H"	125.094202
"1709990"	350.116985	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+NH4+CF3COOH"	132.026685
"1647828"	355.07238	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na+CF3COOH"	136.98208
"1585665"	371.04632	"C20957"	"L-Alanyl-D-glutamate"	"C8H14N2O5"	"218.0903"	"M+K+CF3COOH"	152.95602
"806189"	218.0903	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M"	0
"983002"	199.07191	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-H2O-H"	-19.01839
"77818"	144.386257333333	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M-3H"	-3.021828
"512998"	217.083024	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M-3H"	-3.021828
"886432"	71.6894906666667	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-3H"	-3.021828
"8286"	217.083024	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H"	-2.014552
"448940"	326.128174	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H"	-2.014552
"823459"	108.037874	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H"	-2.014552
"82361"	435.173324	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M-H"	-1.007276
"518753"	653.263624	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M-H"	-1.007276
"895703"	217.083024	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-H"	-1.007276
"47203"	452.199871	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H+NH4"	16.019271
"488557"	670.290171	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H+NH4"	16.019271
"865267"	234.109571	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H+NH4"	16.019271
"31624"	457.155266	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H+Na"	20.974666
"471867"	675.245566	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H+Na"	20.974666
"849432"	239.064966	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H+Na"	20.974666
"1621885"	239.064966	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na-2H"	20.974666
"100602"	235.071363	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M-H+Cl"	33.962126
"536517"	344.116513	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M-H+Cl"	33.962126
"929666"	126.026213	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+Cl"	33.962126
"270409"	471.150002	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Cl"	34.969402
"663563"	689.240302	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+Cl"	34.969402
"1275965"	253.059702	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl"	34.969402
"23992"	473.129206	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M-2H+K"	36.948606
"458446"	691.219506	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M-2H+K"	36.948606
"845731"	255.038906	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-2H+K"	36.948606
"1567760"	255.038906	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+K-2H"	36.948606
"957715"	263.088494	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+HCOOH"	44.998194
"375928"	481.178801	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+HCOOH-H"	44.998201
"352640"	495.194451	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Hac-H"	59.013851
"1505848"	277.104151	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Hac-H"	59.013851
"971932"	285.070451	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+NaCOOH"	66.980151
"119016"	253.059702	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2Cl"	69.938804
"560763"	362.104852	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2Cl"	69.938804
"1033213"	144.014552	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2Cl"	69.938804
"1253522"	297.009185	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Br"	78.918885
"1315601"	299.065172	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl+HCOOH"	80.974872
"1334435"	321.047129	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl+NaCOOH"	102.956829
"924521"	331.075886	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M-H+CF3COOH"	112.985586
"1303422"	367.052564	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Cl+CF3COOH"	148.962264
"1377209"	183.077624	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H-2H2O"	-35.012676
"1393611"	201.0876	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H-H2O"	-17.0027
"297674"	437.187876	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H"	1.007276
"690584"	655.278176	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H"	1.007276
"1363895"	219.097576	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H"	1.007276
"141162"	219.097576	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2H"	2.014552
"581351"	328.142726	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2H"	2.014552
"1052735"	110.052426	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2H"	2.014552
"219978"	146.400809333333	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+3H"	3.021828
"659415"	219.097576	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+3H"	3.021828
"1177904"	73.7040426666667	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+3H"	3.021828
"439359"	454.214423	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+NH4"	18.033823
"800106"	672.304723	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+NH4"	18.033823
"1695709"	236.124123	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+NH4"	18.033823
"339982"	227.6108495	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H+NH4"	19.041099
"732404"	336.6559995	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H+NH4"	19.041099
"1486223"	118.5656995	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+NH4"	19.041099
"400528"	459.169818	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Na"	22.989218
"761522"	677.260118	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+Na"	22.989218
"1608530"	241.079518	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na"	22.989218
"316382"	230.088547	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H+Na"	23.996494
"715362"	339.133697	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H+Na"	23.996494
"1465899"	121.043397	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+Na"	23.996494
"1057322"	81.0313566666667	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2H+Na"	25.00377
"1259002"	251.123786	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+CH3OH+H"	33.033486
"380496"	475.143758	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+K"	38.963158
"741487"	693.234058	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+K"	38.963158
"1540625"	257.053458	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+K"	38.963158
"300718"	238.075517	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+H+K"	39.970434
"697514"	347.120667	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+H+K"	39.970434
"1456441"	129.030367	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+K"	39.970434
"241037"	478.214426	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+ACN+H"	42.033826
"1219213"	260.124126	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+ACN+H"	42.033826
"1198723"	130.565701	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+ACN+2H"	43.041102
"197062"	481.15176	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2Na-H"	44.97116
"637715"	699.24206	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2Na-H"	44.97116
"1141221"	263.06146	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2Na-H"	44.97116
"184512"	241.079518	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2Na"	45.978436
"618974"	350.124668	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2Na"	45.978436
"1119926"	132.034368	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2Na"	45.978436
"1406004"	88.3586706666667	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+2Na"	46.985712
"1439943"	265.103046	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+HCOOH"	47.012746
"227453"	246.11254	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+3H2O+2H"	56.04448
"1518796"	279.15509	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+IsoProp+H"	61.06479
"415203"	249.066488	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+Na+K"	61.952376
"775104"	358.111638	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+Na+K"	61.952376
"1676902"	140.021338	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na+K"	61.952376
"264515"	500.196368	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+ACN+Na"	64.015768
"1238317"	282.106068	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+ACN+Na"	64.015768
"1727204"	282.129593	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+NH4+HCOOH"	64.039293
"1191833"	95.6859846666667	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+3Na"	68.967654
"1661359"	287.084988	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na+HCOOH"	68.994688
"167127"	513.09964	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2K-H"	76.91904
"609240"	731.18994	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2K-H"	76.91904
"1095573"	295.00934	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2K-H"	76.91904
"154215"	257.053458	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"2M+2K"	77.926316
"587580"	366.098608	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"3M+2K"	77.926316
"1070026"	148.008308	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2K"	77.926316
"1101040"	297.023892	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2K+H"	78.933592
"1337431"	297.111507	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+DMSO+H"	79.021207
"1007419"	301.150676	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2ACN+H"	83.060376
"1532716"	302.144308	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+IsoProp+Na+H"	84.054008
"998071"	151.078976	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+2ACN+2H"	84.067652
"1592572"	303.058928	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+K+HCOOH"	84.968628
"1421515"	333.090438	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+H+CF3COOH"	115.000138
"1161522"	171.592251	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+3ACN+2H"	125.094202
"1710101"	350.116985	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+NH4+CF3COOH"	132.026685
"1647938"	355.07238	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+Na+CF3COOH"	136.98208
"1585775"	371.04632	"C20958"	"L-Alanyl-L-glutamate"	"C8H14N2O5"	"218.0903"	"M+K+CF3COOH"	152.95602
"806299"	212.0086	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M"	0
"975457"	192.99021	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-H2O-H"	-19.01839
"77559"	140.331790666667	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M-3H"	-3.021828
"513108"	211.001324	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M-3H"	-3.021828
"888727"	69.6622573333333	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-3H"	-3.021828
"7302"	211.001324	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M-2H"	-2.014552
"444676"	317.005624	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M-2H"	-2.014552
"824664"	104.997024	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-2H"	-2.014552
"79312"	423.009924	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M-H"	-1.007276
"518626"	635.018524	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M-H"	-1.007276
"895705"	211.001324	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-H"	-1.007276
"47764"	440.036471	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M-2H+NH4"	16.019271
"488425"	652.045071	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M-2H+NH4"	16.019271
"865013"	228.027871	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-2H+NH4"	16.019271
"32057"	444.991866	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M-2H+Na"	20.974666
"471439"	657.000466	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M-2H+Na"	20.974666
"848568"	232.983266	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-2H+Na"	20.974666
"1621995"	232.983266	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Na-2H"	20.974666
"98526"	228.989663	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M-H+Cl"	33.962126
"537356"	334.993963	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M-H+Cl"	33.962126
"929777"	122.985363	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-H+Cl"	33.962126
"270885"	458.986602	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+Cl"	34.969402
"664037"	670.995202	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+Cl"	34.969402
"1277168"	246.978002	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Cl"	34.969402
"23008"	460.965806	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M-2H+K"	36.948606
"458556"	672.974406	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M-2H+K"	36.948606
"840372"	248.957206	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-2H+K"	36.948606
"1566777"	248.957206	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+K-2H"	36.948606
"951744"	257.006794	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-H+HCOOH"	44.998194
"366678"	469.015401	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+HCOOH-H"	44.998201
"351657"	483.031051	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+Hac-H"	59.013851
"1505959"	271.022451	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Hac-H"	59.013851
"970220"	278.988751	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-H+NaCOOH"	66.980151
"116940"	246.978002	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+2Cl"	69.938804
"559780"	352.982302	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+2Cl"	69.938804
"1028587"	140.973702	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2Cl"	69.938804
"1249259"	290.927485	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Br"	78.918885
"1314618"	292.983472	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Cl+HCOOH"	80.974872
"1334302"	314.965429	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Cl+NaCOOH"	102.956829
"924267"	324.994186	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M-H+CF3COOH"	112.985586
"1303411"	360.970864	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Cl+CF3COOH"	148.962264
"1374039"	176.995924	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H-2H2O"	-35.012676
"1393721"	195.0059	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H-H2O"	-17.0027
"294504"	425.024476	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+H"	1.007276
"689843"	637.033076	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+H"	1.007276
"1365463"	213.015876	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H"	1.007276
"141248"	213.015876	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+2H"	2.014552
"580956"	319.020176	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+2H"	2.014552
"1052185"	107.011576	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2H"	2.014552
"217901"	142.346342666667	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+3H"	3.021828
"658917"	213.015876	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+3H"	3.021828
"1177773"	71.6768093333333	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+3H"	3.021828
"439343"	442.051023	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+NH4"	18.033823
"799852"	654.059623	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+NH4"	18.033823
"1695819"	230.042423	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+NH4"	18.033823
"337906"	221.5291495	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+H+NH4"	19.041099
"733606"	327.5334495	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+H+NH4"	19.041099
"1483054"	115.5248495	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H+NH4"	19.041099
"395172"	447.006418	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+Na"	22.989218
"757260"	659.015018	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+Na"	22.989218
"1607547"	234.997818	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Na"	22.989218
"315762"	224.006847	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+H+Na"	23.996494
"707487"	330.011147	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+H+Na"	23.996494
"1463093"	118.002547	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H+Na"	23.996494
"1054517"	79.0041233333333	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2H+Na"	25.00377
"1259113"	245.042086	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+CH3OH+H"	33.033486
"379876"	462.980358	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+K"	38.963158
"738881"	674.988958	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+K"	38.963158
"1539945"	250.971758	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+K"	38.963158
"298716"	231.993817	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+H+K"	39.970434
"694345"	337.998117	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+H+K"	39.970434
"1453635"	125.989517	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H+K"	39.970434
"241147"	466.051026	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+ACN+H"	42.033826
"1219323"	254.042426	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+ACN+H"	42.033826
"1201020"	127.524851	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+ACN+2H"	43.041102
"198995"	468.98836	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+2Na-H"	44.97116
"635639"	680.99696	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+2Na-H"	44.97116
"1141332"	256.97976	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2Na-H"	44.97116
"178061"	234.997818	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+2Na"	45.978436
"620177"	341.002118	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+2Na"	45.978436
"1120036"	128.993518	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2Na"	45.978436
"1406843"	86.3314373333333	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H+2Na"	46.985712
"1440053"	259.021346	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H+HCOOH"	47.012746
"227563"	240.03084	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+3H2O+2H"	56.04448
"1520000"	273.07339	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+IsoProp+H"	61.06479
"415313"	242.984788	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+Na+K"	61.952376
"777400"	348.989088	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+Na+K"	61.952376
"1678105"	136.980488	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Na+K"	61.952376
"265354"	488.032968	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+ACN+Na"	64.015768
"1239520"	276.024368	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+ACN+Na"	64.015768
"1725859"	276.047893	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+NH4+HCOOH"	64.039293
"1190848"	93.6587513333333	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+3Na"	68.967654
"1656002"	281.003288	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Na+HCOOH"	68.994688
"162134"	500.93624	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+2K-H"	76.91904
"604611"	712.94484	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+2K-H"	76.91904
"1089123"	288.92764	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2K-H"	76.91904
"147035"	250.971758	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"2M+2K"	77.926316
"584408"	356.976058	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"3M+2K"	77.926316
"1070014"	144.967458	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2K"	77.926316
"1101035"	290.942192	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2K+H"	78.933592
"1337420"	291.029807	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+DMSO+H"	79.021207
"1009232"	295.068976	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2ACN+H"	83.060376
"1531733"	296.062608	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+IsoProp+Na+H"	84.054008
"1000368"	148.038126	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+2ACN+2H"	84.067652
"1591589"	296.977228	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+K+HCOOH"	84.968628
"1421625"	327.008738	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+H+CF3COOH"	115.000138
"1160660"	168.551401	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+3ACN+2H"	125.094202
"1710211"	344.035285	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+NH4+CF3COOH"	132.026685
"1648048"	348.99068	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+Na+CF3COOH"	136.98208
"1585885"	364.96462	"C20959"	"(4S)-4-Hydroxy-5-phosphonooxypentane-23-dione;Phospho-DPD;P-DPD"	"C5H9O7P"	"212.0086"	"M+K+CF3COOH"	152.95602
"806409"	212.0086	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M"	0
"976660"	192.99021	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-H2O-H"	-19.01839
"77670"	140.331790666667	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M-3H"	-3.021828
"513218"	211.001324	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M-3H"	-3.021828
"889930"	69.6622573333333	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-3H"	-3.021828
"7412"	211.001324	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M-2H"	-2.014552
"445879"	317.005624	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M-2H"	-2.014552
"824774"	104.997024	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-2H"	-2.014552
"80394"	423.009924	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M-H"	-1.007276
"518852"	635.018524	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M-H"	-1.007276
"895884"	211.001324	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-H"	-1.007276
"48851"	440.036471	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M-2H+NH4"	16.019271
"488535"	652.045071	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M-2H+NH4"	16.019271
"866216"	228.027871	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-2H+NH4"	16.019271
"32171"	444.991866	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M-2H+Na"	20.974666
"472201"	657.000466	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M-2H+Na"	20.974666
"849395"	232.983266	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-2H+Na"	20.974666
"1623198"	232.983266	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Na-2H"	20.974666
"99000"	228.989663	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M-H+Cl"	33.962126
"536737"	334.993963	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M-H+Cl"	33.962126
"932073"	122.985363	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-H+Cl"	33.962126
"270630"	458.986602	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+Cl"	34.969402
"662323"	670.995202	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+Cl"	34.969402
"1275091"	246.978002	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Cl"	34.969402
"23116"	460.965806	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M-2H+K"	36.948606
"461581"	672.974406	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M-2H+K"	36.948606
"839386"	248.957206	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-2H+K"	36.948606
"1559956"	248.957206	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+K-2H"	36.948606
"948934"	257.006794	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-H+HCOOH"	44.998194
"367515"	469.015401	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+HCOOH-H"	44.998201
"355046"	483.031051	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+Hac-H"	59.013851
"1500603"	271.022451	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Hac-H"	59.013851
"967049"	278.988751	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-H+NaCOOH"	66.980151
"118141"	246.978002	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+2Cl"	69.938804
"556611"	352.982302	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+2Cl"	69.938804
"1031975"	140.973702	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2Cl"	69.938804
"1251189"	290.927485	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Br"	78.918885
"1316185"	292.983472	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Cl+HCOOH"	80.974872
"1333805"	314.965429	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Cl+NaCOOH"	102.956829
"923284"	324.994186	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M-H+CF3COOH"	112.985586
"1303807"	360.970864	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Cl+CF3COOH"	148.962264
"1377429"	176.995924	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H-2H2O"	-35.012676
"1389457"	195.0059	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H-H2O"	-17.0027
"298019"	425.024476	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+H"	1.007276
"691051"	637.033076	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+H"	1.007276
"1364479"	213.015876	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H"	1.007276
"138462"	213.015876	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+2H"	2.014552
"580212"	319.020176	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+2H"	2.014552
"1052540"	107.011576	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2H"	2.014552
"219347"	142.346342666667	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+3H"	3.021828
"659309"	213.015876	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+3H"	3.021828
"1178124"	71.6768093333333	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+3H"	3.021828
"439215"	442.051023	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+NH4"	18.033823
"799596"	654.059623	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+NH4"	18.033823
"1695563"	230.042423	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+NH4"	18.033823
"341296"	221.5291495	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+H+NH4"	19.041099
"733716"	327.5334495	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+H+NH4"	19.041099
"1485351"	115.5248495	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H+NH4"	19.041099
"396376"	447.006418	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+Na"	22.989218
"754577"	659.015018	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+Na"	22.989218
"1609843"	234.997818	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Na"	22.989218
"317694"	224.006847	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+H+Na"	23.996494
"708656"	330.011147	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+H+Na"	23.996494
"1462474"	118.002547	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H+Na"	23.996494
"1053898"	79.0041233333333	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2H+Na"	25.00377
"1259952"	245.042086	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+CH3OH+H"	33.033486
"381808"	462.980358	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+K"	38.963158
"738912"	674.988958	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+K"	38.963158
"1540843"	250.971758	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+K"	38.963158
"299116"	231.993817	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+H+K"	39.970434
"693362"	337.998117	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+H+K"	39.970434
"1452652"	125.989517	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H+K"	39.970434
"238340"	466.051026	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+ACN+H"	42.033826
"1211779"	254.042426	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+ACN+H"	42.033826
"1196026"	127.524851	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+ACN+2H"	43.041102
"198376"	468.98836	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+2Na-H"	44.97116
"633926"	680.99696	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+2Na-H"	44.97116
"1143629"	256.97976	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2Na-H"	44.97116
"180359"	234.997818	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+2Na"	45.978436
"621016"	341.002118	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+2Na"	45.978436
"1121239"	128.993518	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2Na"	45.978436
"1406953"	86.3314373333333	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H+2Na"	46.985712
"1441256"	259.021346	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H+HCOOH"	47.012746
"227673"	240.03084	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+3H2O+2H"	56.04448
"1520110"	273.07339	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+IsoProp+H"	61.06479
"416516"	242.984788	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+Na+K"	61.952376
"777510"	348.989088	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+Na+K"	61.952376
"1673843"	136.980488	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Na+K"	61.952376
"260361"	488.032968	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+ACN+Na"	64.015768
"1236716"	276.024368	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+ACN+Na"	64.015768
"1721960"	276.047893	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+NH4+HCOOH"	64.039293
"1184032"	93.6587513333333	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+3Na"	68.967654
"1651373"	281.003288	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Na+HCOOH"	68.994688
"159328"	500.93624	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+2K-H"	76.91904
"598889"	712.94484	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+2K-H"	76.91904
"1089232"	288.92764	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2K-H"	76.91904
"146052"	250.971758	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"2M+2K"	77.926316
"583295"	356.976058	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"3M+2K"	77.926316
"1068904"	144.967458	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2K"	77.926316
"1100652"	290.942192	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2K+H"	78.933592
"1336436"	291.029807	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+DMSO+H"	79.021207
"1006545"	295.068976	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2ACN+H"	83.060376
"1532571"	296.062608	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+IsoProp+Na+H"	84.054008
"997199"	148.038126	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+2ACN+2H"	84.067652
"1591699"	296.977228	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+K+HCOOH"	84.968628
"1421735"	327.008738	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+H+CF3COOH"	115.000138
"1160770"	168.551401	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+3ACN+2H"	125.094202
"1710321"	344.035285	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+NH4+CF3COOH"	132.026685
"1648158"	348.99068	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+Na+CF3COOH"	136.98208
"1585995"	364.96462	"C20960"	"3-Hydroxy-5-phosphonooxypentane-24-dione;3-Hydroxy-24-pentadione-5-phosphate;P-HPD"	"C5H9O7P"	"212.0086"	"M+K+CF3COOH"	152.95602
"815268"	202.059	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M"	0
"978958"	183.04061	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-H2O-H"	-19.01839
"78463"	133.698724	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M-3H"	-3.021828
"516608"	201.051724	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M-3H"	-3.021828
"884576"	66.345724	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-3H"	-3.021828
"6430"	201.051724	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M-2H"	-2.014552
"449271"	302.081224	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M-2H"	-2.014552
"825978"	100.022224	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-2H"	-2.014552
"79774"	403.110724	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M-H"	-1.007276
"521158"	605.169724	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M-H"	-1.007276
"898960"	201.051724	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-H"	-1.007276
"49325"	420.137271	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M-2H+NH4"	16.019271
"491802"	622.196271	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M-2H+NH4"	16.019271
"866323"	218.078271	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-2H+NH4"	16.019271
"36412"	425.092666	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M-2H+Na"	20.974666
"478159"	627.151666	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M-2H+Na"	20.974666
"852680"	223.033666	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-2H+Na"	20.974666
"1629869"	223.033666	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Na-2H"	20.974666
"102027"	219.040063	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M-H+Cl"	33.962126
"541586"	320.069563	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M-H+Cl"	33.962126
"933279"	118.010563	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-H+Cl"	33.962126
"275114"	439.087402	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+Cl"	34.969402
"667902"	641.146402	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+Cl"	34.969402
"1280303"	237.028402	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Cl"	34.969402
"25415"	441.066606	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M-2H+K"	36.948606
"464607"	643.125606	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M-2H+K"	36.948606
"842779"	239.007606	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-2H+K"	36.948606
"1560066"	239.007606	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+K-2H"	36.948606
"949775"	247.057194	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-H+HCOOH"	44.998194
"370177"	449.116201	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+HCOOH-H"	44.998201
"351877"	463.131851	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+Hac-H"	59.013851
"1501807"	261.072851	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Hac-H"	59.013851
"967158"	269.039151	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-H+NaCOOH"	66.980151
"117158"	237.028402	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+2Cl"	69.938804
"558907"	338.057902	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+2Cl"	69.938804
"1034999"	135.998902	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2Cl"	69.938804
"1253848"	280.977885	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Br"	78.918885
"1311921"	283.033872	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Cl+HCOOH"	80.974872
"1333427"	305.015829	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Cl+NaCOOH"	102.956829
"920478"	315.044586	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M-H+CF3COOH"	112.985586
"1303392"	351.021264	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Cl+CF3COOH"	148.962264
"1380819"	167.046324	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H-2H2O"	-35.012676
"1391754"	185.0563	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H-H2O"	-17.0027
"297646"	405.125276	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+H"	1.007276
"689463"	607.184276	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+H"	1.007276
"1366412"	203.066276	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H"	1.007276
"139308"	203.066276	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+2H"	2.014552
"580571"	304.095776	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+2H"	2.014552
"1051676"	102.036776	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2H"	2.014552
"218852"	135.713276	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+3H"	3.021828
"659385"	203.066276	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+3H"	3.021828
"1177267"	68.360276	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+3H"	3.021828
"439609"	422.151823	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+NH4"	18.033823
"799709"	624.210823	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+NH4"	18.033823
"1696039"	220.092823	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+NH4"	18.033823
"342498"	211.5795495	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+H+NH4"	19.041099
"735652"	312.6090495	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+H+NH4"	19.041099
"1485462"	110.5500495	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H+NH4"	19.041099
"398676"	427.107218	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+Na"	22.989218
"755904"	629.166218	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+Na"	22.989218
"1603637"	225.048218	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Na"	22.989218
"315496"	214.057247	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+H+Na"	23.996494
"709136"	315.086747	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+H+Na"	23.996494
"1464046"	113.027747	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H+Na"	23.996494
"1059477"	75.68759	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2H+Na"	25.00377
"1262248"	235.092486	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+CH3OH+H"	33.033486
"383010"	443.081158	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+K"	38.963158
"739874"	645.140158	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+K"	38.963158
"1543871"	241.022158	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+K"	38.963158
"298762"	222.044217	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+H+K"	39.970434
"694568"	323.073717	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+H+K"	39.970434
"1451668"	121.014717	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H+K"	39.970434
"241366"	446.151826	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+ACN+H"	42.033826
"1214076"	244.092826	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+ACN+H"	42.033826
"1204521"	122.550051	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+ACN+2H"	43.041102
"197394"	449.08916	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+2Na-H"	44.97116
"638047"	651.14816	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+2Na-H"	44.97116
"1140459"	247.03016	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2Na-H"	44.97116
"182663"	225.048218	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+2Na"	45.978436
"623315"	326.077718	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+2Na"	45.978436
"1126821"	124.018718	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2Na"	45.978436
"1409983"	83.014904	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H+2Na"	46.985712
"1438089"	249.071746	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H+HCOOH"	47.012746
"229971"	230.08124	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+3H2O+2H"	56.04448
"1516939"	263.12379	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+IsoProp+H"	61.06479
"416625"	233.035188	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+Na+K"	61.952376
"781270"	334.064688	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+Na+K"	61.952376
"1675050"	132.005688	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Na+K"	61.952376
"258292"	468.133768	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+ACN+Na"	64.015768
"1231728"	266.074768	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+ACN+Na"	64.015768
"1721706"	266.098293	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+NH4+HCOOH"	64.039293
"1181592"	90.342218	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+3Na"	68.967654
"1652943"	271.053688	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Na+HCOOH"	68.994688
"163083"	481.03704	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+2K-H"	76.91904
"604830"	683.09604	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+2K-H"	76.91904
"1086064"	278.97804	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2K-H"	76.91904
"143975"	241.022158	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"2M+2K"	77.926316
"582803"	342.051658	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"3M+2K"	77.926316
"1072420"	139.992658	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2K"	77.926316
"1100891"	280.992592	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2K+H"	78.933592
"1337035"	281.080207	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+DMSO+H"	79.021207
"1009455"	285.119376	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2ACN+H"	83.060376
"1534140"	286.113008	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+IsoProp+Na+H"	84.054008
"995122"	143.063326	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+2ACN+2H"	84.067652
"1587922"	287.027628	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+K+HCOOH"	84.968628
"1420751"	317.059138	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+H+CF3COOH"	115.000138
"1157601"	163.576601	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+3ACN+2H"	125.094202
"1710433"	334.085685	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+NH4+CF3COOH"	132.026685
"1647177"	339.04108	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+Na+CF3COOH"	136.98208
"1586106"	355.01502	"C20961"	"N3-Fumaroyl-(S)-23-diaminopropanoate;(2E)-4-(2S)-2-Amino-2-carboxyethylamino-4-oxobut-2-enoate"	"C7H10N2O5"	"202.059"	"M+K+CF3COOH"	152.95602
"806629"	300.1434	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M"	0
"974292"	281.12501	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-H2O-H"	-19.01839
"77282"	199.088324	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M-3H"	-3.021828
"515625"	299.136124	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M-3H"	-3.021828
"884686"	99.040524	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-3H"	-3.021828
"6540"	299.136124	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M-2H"	-2.014552
"450474"	449.207824	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M-2H"	-2.014552
"821715"	149.064424	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-2H"	-2.014552
"80978"	599.279524	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M-H"	-1.007276
"523455"	899.422924	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M-H"	-1.007276
"899070"	299.136124	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-H"	-1.007276
"50165"	616.306071	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M-2H+NH4"	16.019271
"489726"	916.449471	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M-2H+NH4"	16.019271
"871901"	316.162671	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-2H+NH4"	16.019271
"39802"	621.261466	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M-2H+Na"	20.974666
"480458"	921.404866	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M-2H+Na"	20.974666
"857165"	321.118066	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-2H+Na"	20.974666
"1629979"	321.118066	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Na-2H"	20.974666
"99951"	317.124463	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M-H+Cl"	33.962126
"542789"	467.196163	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M-H+Cl"	33.962126
"934119"	167.052763	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-H+Cl"	33.962126
"274860"	635.256202	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+Cl"	34.969402
"669471"	935.399602	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+Cl"	34.969402
"1278956"	335.112802	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Cl"	34.969402
"23338"	637.235406	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M-2H+K"	36.948606
"461073"	937.378806	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M-2H+K"	36.948606
"845075"	337.092006	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-2H+K"	36.948606
"1560177"	337.092006	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+K-2H"	36.948606
"950978"	345.141594	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-H+HCOOH"	44.998194
"364819"	645.285001	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+HCOOH-H"	44.998201
"355995"	659.300651	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+Hac-H"	59.013851
"1500824"	359.157251	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Hac-H"	59.013851
"962893"	367.123551	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-H+NaCOOH"	66.980151
"115082"	335.112802	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+2Cl"	69.938804
"554644"	485.184502	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+2Cl"	69.938804
"1031100"	185.041102	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2Cl"	69.938804
"1252866"	379.062285	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Br"	78.918885
"1312031"	381.118272	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Cl+HCOOH"	80.974872
"1330622"	403.100229	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Cl+NaCOOH"	102.956829
"920588"	413.128986	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M-H+CF3COOH"	112.985586
"1302407"	449.105664	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Cl+CF3COOH"	148.962264
"1380929"	265.130724	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H-2H2O"	-35.012676
"1390771"	283.1407	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H-H2O"	-17.0027
"297509"	601.294076	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+H"	1.007276
"686160"	901.437476	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+H"	1.007276
"1367027"	301.150676	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H"	1.007276
"141400"	301.150676	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+2H"	2.014552
"581359"	451.222376	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+2H"	2.014552
"1051786"	151.078976	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2H"	2.014552
"219321"	201.102876	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+3H"	3.021828
"659945"	301.150676	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+3H"	3.021828
"1178412"	101.055076	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+3H"	3.021828
"439311"	618.320623	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+NH4"	18.033823
"800911"	918.464023	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+NH4"	18.033823
"1695784"	318.177223	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+NH4"	18.033823
"342973"	309.6639495	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+H+NH4"	19.041099
"737219"	459.7356495	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+H+NH4"	19.041099
"1491038"	159.5922495	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H+NH4"	19.041099
"397692"	623.276018	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+Na"	22.989218
"759053"	923.419418	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+Na"	22.989218
"1606787"	323.132618	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Na"	22.989218
"316093"	312.141647	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+H+Na"	23.996494
"708516"	462.213347	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+H+Na"	23.996494
"1465251"	162.069947	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H+Na"	23.996494
"1056308"	108.38239	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2H+Na"	25.00377
"1264545"	333.176886	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+CH3OH+H"	33.033486
"383120"	639.249958	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+K"	38.963158
"741929"	939.393358	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+K"	38.963158
"1542888"	339.106558	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+K"	38.963158
"298846"	320.128617	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+H+K"	39.970434
"695041"	470.200317	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+H+K"	39.970434
"1451778"	170.056917	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H+K"	39.970434
"243662"	642.320626	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+ACN+H"	42.033826
"1217467"	342.177226	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+ACN+H"	42.033826
"1204631"	171.592251	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+ACN+2H"	43.041102
"201877"	645.25796	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+2Na-H"	44.97116
"641437"	945.40136	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+2Na-H"	44.97116
"1143849"	345.11456	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2Na-H"	44.97116
"186047"	323.132618	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+2Na"	45.978436
"624518"	473.204318	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+2Na"	45.978436
"1128753"	173.060918	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2Na"	45.978436
"1410456"	115.709704	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H+2Na"	46.985712
"1436012"	347.156146	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H+HCOOH"	47.012746
"233361"	328.16564	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+3H2O+2H"	56.04448
"1514862"	361.20819	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+IsoProp+H"	61.06479
"418921"	331.119588	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+Na+K"	61.952376
"784657"	481.191288	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+Na+K"	61.952376
"1679411"	181.047888	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Na+K"	61.952376
"260588"	664.302568	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+ACN+Na"	64.015768
"1235118"	364.159168	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+ACN+Na"	64.015768
"1722181"	364.182693	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+NH4+HCOOH"	64.039293
"1190084"	123.037018	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+3Na"	68.967654
"1655240"	369.138088	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Na+HCOOH"	68.994688
"159915"	677.20584	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+2K-H"	76.91904
"599839"	977.34924	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+2K-H"	76.91904
"1088362"	377.06244	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2K-H"	76.91904
"144085"	339.106558	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"2M+2K"	77.926316
"583277"	489.178258	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"3M+2K"	77.926316
"1072530"	189.034858	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2K"	77.926316
"1101731"	379.076992	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2K+H"	78.933592
"1339940"	379.164607	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+DMSO+H"	79.021207
"1011752"	383.203776	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2ACN+H"	83.060376
"1533157"	384.197408	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+IsoProp+Na+H"	84.054008
"1000700"	192.105526	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+2ACN+2H"	84.067652
"1589734"	385.112028	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+K+HCOOH"	84.968628
"1420861"	415.143538	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+H+CF3COOH"	115.000138
"1158804"	212.618801	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+3ACN+2H"	125.094202
"1707261"	432.170085	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+NH4+CF3COOH"	132.026685
"1648380"	437.12548	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+Na+CF3COOH"	136.98208
"1586216"	453.09942	"C20962"	"Dapdiamide A;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-valine"	"C12H20N4O5"	"300.1434"	"M+K+CF3COOH"	152.95602
"806739"	314.159	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M"	0
"975531"	295.14061	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-H2O-H"	-19.01839
"77755"	208.432057333333	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M-3H"	-3.021828
"514642"	313.151724	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M-3H"	-3.021828
"880787"	103.712390666667	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-3H"	-3.021828
"7744"	313.151724	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M-2H"	-2.014552
"452771"	470.231224	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M-2H"	-2.014552
"817935"	156.072224	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-2H"	-2.014552
"81816"	627.310724	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M-H"	-1.007276
"524658"	941.469724	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M-H"	-1.007276
"902461"	313.151724	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-H"	-1.007276
"50275"	644.337271	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M-2H+NH4"	16.019271
"496400"	958.496271	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M-2H+NH4"	16.019271
"872015"	330.178271	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-2H+NH4"	16.019271
"39915"	649.292666	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M-2H+Na"	20.974666
"478383"	963.451666	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M-2H+Na"	20.974666
"858370"	335.133666	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-2H+Na"	20.974666
"1630091"	335.133666	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Na-2H"	20.974666
"104434"	331.140063	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M-H+Cl"	33.962126
"543993"	488.219563	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M-H+Cl"	33.962126
"937506"	174.060563	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-H+Cl"	33.962126
"273877"	663.287402	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+Cl"	34.969402
"671768"	977.446402	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+Cl"	34.969402
"1277609"	349.128402	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Cl"	34.969402
"19799"	665.266606	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M-2H+K"	36.948606
"463006"	979.425606	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M-2H+K"	36.948606
"845185"	351.107606	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-2H+K"	36.948606
"1558830"	351.107606	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+K-2H"	36.948606
"951088"	359.157194	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-H+HCOOH"	44.998194
"364929"	673.316201	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+HCOOH-H"	44.998201
"355375"	687.331851	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+Hac-H"	59.013851
"1502026"	373.172851	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Hac-H"	59.013851
"965189"	381.139151	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-H+NaCOOH"	66.980151
"116286"	349.128402	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+2Cl"	69.938804
"556940"	506.207902	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+2Cl"	69.938804
"1031210"	192.048902	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2Cl"	69.938804
"1254799"	393.077885	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Br"	78.918885
"1311048"	395.133872	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Cl+HCOOH"	80.974872
"1330732"	417.115829	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Cl+NaCOOH"	102.956829
"921792"	427.144586	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M-H+CF3COOH"	112.985586
"1302517"	463.121264	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Cl+CF3COOH"	148.962264
"1377759"	279.146324	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H-2H2O"	-35.012676
"1390881"	297.1563	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H-H2O"	-17.0027
"288380"	629.325276	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+H"	1.007276
"682990"	943.484276	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+H"	1.007276
"1366153"	315.166276	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H"	1.007276
"139896"	315.166276	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+2H"	2.014552
"579093"	472.245776	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+2H"	2.014552
"1051532"	158.086776	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2H"	2.014552
"218703"	210.446609333333	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+3H"	3.021828
"659930"	315.166276	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+3H"	3.021828
"1178430"	105.726942666667	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+3H"	3.021828
"439921"	646.351823	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+NH4"	18.033823
"797009"	960.510823	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+NH4"	18.033823
"1695407"	332.192823	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+NH4"	18.033823
"344544"	323.6795495	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+H+NH4"	19.041099
"734050"	480.7590495	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+H+NH4"	19.041099
"1485684"	166.6000495	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H+NH4"	19.041099
"399990"	651.307218	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+Na"	22.989218
"758800"	965.466218	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+Na"	22.989218
"1603047"	337.148218	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Na"	22.989218
"315353"	326.157247	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+H+Na"	23.996494
"709719"	483.236747	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+H+Na"	23.996494
"1467544"	169.077747	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H+Na"	23.996494
"1061882"	113.054256666667	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2H+Na"	25.00377
"1260284"	347.192486	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+CH3OH+H"	33.033486
"378861"	667.281158	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+K"	38.963158
"744228"	981.440158	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+K"	38.963158
"1544093"	353.122158	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+K"	38.963158
"305647"	334.144217	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+H+K"	39.970434
"696976"	491.223717	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+H+K"	39.970434
"1456264"	177.064717	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H+K"	39.970434
"245958"	670.351826	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+ACN+H"	42.033826
"1218671"	356.192826	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+ACN+H"	42.033826
"1204742"	178.600051	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+ACN+2H"	43.041102
"197615"	673.28916	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+2Na-H"	44.97116
"643007"	987.44816	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+2Na-H"	44.97116
"1146680"	359.13016	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2Na-H"	44.97116
"185798"	337.148218	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+2Na"	45.978436
"620252"	494.227718	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+2Na"	45.978436
"1128135"	180.068718	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2Na"	45.978436
"1410565"	120.381570666667	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H+2Na"	46.985712
"1439403"	361.171746	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H+HCOOH"	47.012746
"230187"	342.18124	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+3H2O+2H"	56.04448
"1520438"	375.22379	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+IsoProp+H"	61.06479
"421219"	345.135188	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+Na+K"	61.952376
"777848"	502.214688	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+Na+K"	61.952376
"1677822"	188.055688	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Na+K"	61.952376
"261790"	692.333768	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+ACN+Na"	64.015768
"1235590"	378.174768	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+ACN+Na"	64.015768
"1723383"	378.198293	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+NH4+HCOOH"	64.039293
"1186551"	127.708884666667	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+3Na"	68.967654
"1652070"	383.153688	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Na+HCOOH"	68.994688
"161118"	705.23704	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+2K-H"	76.91904
"600679"	1019.39604	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+2K-H"	76.91904
"1087378"	391.07804	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2K-H"	76.91904
"147475"	353.122158	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"2M+2K"	77.926316
"582416"	510.201658	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"3M+2K"	77.926316
"1070454"	196.042658	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2K"	77.926316
"1103664"	393.092592	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2K+H"	78.933592
"1341144"	393.180207	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+DMSO+H"	79.021207
"1011862"	397.219376	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2ACN+H"	83.060376
"1527800"	398.213008	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+IsoProp+Na+H"	84.054008
"1001907"	199.113326	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+2ACN+2H"	84.067652
"1595313"	399.127628	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+K+HCOOH"	84.968628
"1418785"	429.159138	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+H+CF3COOH"	115.000138
"1158915"	219.626601	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+3ACN+2H"	125.094202
"1708467"	446.185685	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+NH4+CF3COOH"	132.026685
"1648856"	451.14108	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+Na+CF3COOH"	136.98208
"1586326"	467.11502	"C20963"	"Dapdiamide B;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-isoleucine"	"C13H22N4O5"	"314.159"	"M+K+CF3COOH"	152.95602
"806849"	314.159	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M"	0
"975272"	295.14061	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-H2O-H"	-19.01839
"76283"	208.432057333333	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M-3H"	-3.021828
"514748"	313.151724	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M-3H"	-3.021828
"881625"	103.712390666667	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-3H"	-3.021828
"6761"	313.151724	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M-2H"	-2.014552
"452881"	470.231224	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M-2H"	-2.014552
"818288"	156.072224	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-2H"	-2.014552
"80468"	627.310724	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M-H"	-1.007276
"523675"	941.469724	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M-H"	-1.007276
"901478"	313.151724	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-H"	-1.007276
"50749"	644.337271	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M-2H+NH4"	16.019271
"493229"	958.496271	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M-2H+NH4"	16.019271
"871029"	330.178271	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-2H+NH4"	16.019271
"36744"	649.292666	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M-2H+Na"	20.974666
"482866"	963.451666	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M-2H+Na"	20.974666
"858480"	335.133666	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-2H+Na"	20.974666
"1630201"	335.133666	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Na-2H"	20.974666
"104544"	331.140063	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M-H+Cl"	33.962126
"544102"	488.219563	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M-H+Cl"	33.962126
"936523"	174.060563	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-H+Cl"	33.962126
"275080"	663.287402	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+Cl"	34.969402
"672971"	977.446402	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+Cl"	34.969402
"1278083"	349.128402	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Cl"	34.969402
"24648"	665.266606	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M-2H+K"	36.948606
"463116"	979.425606	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M-2H+K"	36.948606
"846388"	351.107606	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-2H+K"	36.948606
"1558575"	351.107606	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+K-2H"	36.948606
"951198"	359.157194	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-H+HCOOH"	44.998194
"365039"	673.316201	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+HCOOH-H"	44.998201
"354392"	687.331851	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+Hac-H"	59.013851
"1501042"	373.172851	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Hac-H"	59.013851
"964206"	381.139151	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-H+NaCOOH"	66.980151
"117488"	349.128402	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+2Cl"	69.938804
"557051"	506.207902	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+2Cl"	69.938804
"1028040"	192.048902	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2Cl"	69.938804
"1251994"	393.077885	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Br"	78.918885
"1307878"	395.133872	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Cl+HCOOH"	80.974872
"1327561"	417.115829	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Cl+NaCOOH"	102.956829
"920809"	427.144586	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M-H+CF3COOH"	112.985586
"1301534"	463.121264	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Cl+CF3COOH"	148.962264
"1377869"	279.146324	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H-2H2O"	-35.012676
"1387711"	297.1563	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H-H2O"	-17.0027
"285210"	629.325276	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+H"	1.007276
"683100"	943.484276	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+H"	1.007276
"1366501"	315.166276	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H"	1.007276
"140489"	315.166276	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+2H"	2.014552
"580295"	472.245776	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+2H"	2.014552
"1051160"	158.086776	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2H"	2.014552
"218813"	210.446609333333	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+3H"	3.021828
"659761"	315.166276	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+3H"	3.021828
"1177966"	105.726942666667	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+3H"	3.021828
"439618"	646.351823	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+NH4"	18.033823
"798943"	960.510823	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+NH4"	18.033823
"1694909"	332.192823	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+NH4"	18.033823
"341738"	323.6795495	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+H+NH4"	19.041099
"733066"	480.7590495	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+H+NH4"	19.041099
"1481420"	166.6000495	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H+NH4"	19.041099
"397913"	651.307218	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+Na"	22.989218
"760002"	965.466218	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+Na"	22.989218
"1604090"	337.148218	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Na"	22.989218
"315950"	326.157247	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+H+Na"	23.996494
"711652"	483.236747	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+H+Na"	23.996494
"1465469"	169.077747	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H+Na"	23.996494
"1053367"	113.054256666667	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2H+Na"	25.00377
"1257357"	347.192486	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+CH3OH+H"	33.033486
"381159"	667.281158	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+K"	38.963158
"743244"	981.440158	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+K"	38.963158
"1543109"	353.122158	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+K"	38.963158
"301382"	334.144217	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+H+K"	39.970434
"701461"	491.223717	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+H+K"	39.970434
"1455282"	177.064717	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H+K"	39.970434
"244978"	670.351826	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+ACN+H"	42.033826
"1219875"	356.192826	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+ACN+H"	42.033826
"1207041"	178.600051	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+ACN+2H"	43.041102
"202101"	673.28916	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+2Na-H"	44.97116
"642877"	987.44816	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+2Na-H"	44.97116
"1145778"	359.13016	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2Na-H"	44.97116
"186637"	337.148218	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+2Na"	45.978436
"620362"	494.227718	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+2Na"	45.978436
"1127151"	180.068718	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2Na"	45.978436
"1406299"	120.381570666667	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H+2Na"	46.985712
"1439512"	361.171746	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H+HCOOH"	47.012746
"227381"	342.18124	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+3H2O+2H"	56.04448
"1516174"	375.22379	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+IsoProp+H"	61.06479
"419141"	345.135188	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+Na+K"	61.952376
"783054"	502.214688	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+Na+K"	61.952376
"1676473"	188.055688	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Na+K"	61.952376
"260806"	692.333768	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+ACN+Na"	64.015768
"1235700"	378.174768	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+ACN+Na"	64.015768
"1721305"	378.198293	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+NH4+HCOOH"	64.039293
"1186657"	127.708884666667	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+3Na"	68.967654
"1654729"	383.153688	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Na+HCOOH"	68.994688
"161229"	705.23704	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+2K-H"	76.91904
"602976"	1019.39604	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+2K-H"	76.91904
"1089676"	391.07804	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2K-H"	76.91904
"146492"	353.122158	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"2M+2K"	77.926316
"581552"	510.201658	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"3M+2K"	77.926316
"1071658"	196.042658	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2K"	77.926316
"1103774"	393.092592	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2K+H"	78.933592
"1345628"	393.180207	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+DMSO+H"	79.021207
"1009785"	397.219376	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2ACN+H"	83.060376
"1531190"	398.213008	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+IsoProp+Na+H"	84.054008
"1002017"	199.113326	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+2ACN+2H"	84.067652
"1598703"	399.127628	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+K+HCOOH"	84.968628
"1419989"	429.159138	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+H+CF3COOH"	115.000138
"1159025"	219.626601	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+3ACN+2H"	125.094202
"1710642"	446.185685	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+NH4+CF3COOH"	132.026685
"1645320"	451.14108	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+Na+CF3COOH"	136.98208
"1586436"	467.11502	"C20964"	"Dapdiamide C;3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanyl-L-leucine"	"C13H22N4O5"	"314.159"	"M+K+CF3COOH"	152.95602
"806959"	316.1383	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M"	0
"975508"	297.11991	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-H2O-H"	-19.01839
"76395"	209.751590666667	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M-3H"	-3.021828
"514858"	315.131024	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M-3H"	-3.021828
"888295"	104.372157333333	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-3H"	-3.021828
"15100"	315.131024	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M-2H"	-2.014552
"455505"	473.200174	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M-2H"	-2.014552
"822046"	157.061874	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-2H"	-2.014552
"82402"	631.269324	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M-H"	-1.007276
"524879"	947.407624	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M-H"	-1.007276
"902681"	315.131024	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-H"	-1.007276
"51589"	648.295871	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M-2H+NH4"	16.019271
"493703"	964.434171	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M-2H+NH4"	16.019271
"868952"	332.157571	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-2H+NH4"	16.019271
"36852"	653.251266	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M-2H+Na"	20.974666
"480788"	969.389566	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M-2H+Na"	20.974666
"858590"	337.112966	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-2H+Na"	20.974666
"1632497"	337.112966	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Na-2H"	20.974666
"107933"	333.119363	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M-H+Cl"	33.962126
"544213"	491.188513	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M-H+Cl"	33.962126
"938820"	175.050213	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-H+Cl"	33.962126
"276284"	667.246002	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+Cl"	34.969402
"673569"	983.384302	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+Cl"	34.969402
"1284389"	351.107702	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Cl"	34.969402
"28038"	669.225206	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M-2H+K"	36.948606
"466506"	985.363506	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M-2H+K"	36.948606
"846134"	353.086906	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-2H+K"	36.948606
"1562330"	353.086906	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+K-2H"	36.948606
"949121"	361.136494	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-H+HCOOH"	44.998194
"366242"	677.274801	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+HCOOH-H"	44.998201
"353409"	691.290451	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+Hac-H"	59.013851
"1503338"	375.152151	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Hac-H"	59.013851
"963223"	383.118451	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-H+NaCOOH"	66.980151
"116503"	351.107702	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+2Cl"	69.938804
"553513"	509.176852	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+2Cl"	69.938804
"1031430"	193.038552	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2Cl"	69.938804
"1254290"	395.057185	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Br"	78.918885
"1313455"	397.113172	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Cl+HCOOH"	80.974872
"1329858"	419.095129	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Cl+NaCOOH"	102.956829
"924201"	429.123886	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M-H+CF3COOH"	112.985586
"1302737"	465.100564	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Cl+CF3COOH"	148.962264
"1377979"	281.125624	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H-2H2O"	-35.012676
"1396569"	299.1356	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H-H2O"	-17.0027
"295162"	633.283876	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+H"	1.007276
"688677"	949.422176	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+H"	1.007276
"1365042"	317.145576	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H"	1.007276
"139390"	317.145576	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+2H"	2.014552
"579923"	475.214726	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+2H"	2.014552
"1051153"	159.076426	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2H"	2.014552
"219622"	211.766142666667	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+3H"	3.021828
"659746"	317.145576	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+3H"	3.021828
"1177472"	106.386709333333	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+3H"	3.021828
"439528"	650.310423	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+NH4"	18.033823
"800881"	966.448723	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+NH4"	18.033823
"1696483"	334.172123	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+NH4"	18.033823
"340755"	325.6588495	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+H+NH4"	19.041099
"733177"	483.7279995	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+H+NH4"	19.041099
"1480438"	167.5896995	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H+NH4"	19.041099
"399117"	655.265818	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+Na"	22.989218
"763393"	971.404118	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+Na"	22.989218
"1609305"	339.127518	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Na"	22.989218
"317154"	328.136547	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+H+Na"	23.996494
"712856"	486.205697	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+H+Na"	23.996494
"1472140"	170.067397	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H+Na"	23.996494
"1062106"	113.714023333333	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2H+Na"	25.00377
"1259412"	349.171786	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+CH3OH+H"	33.033486
"383455"	671.239758	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+K"	38.963158
"743355"	987.378058	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+K"	38.963158
"1541033"	355.101458	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+K"	38.963158
"301126"	336.123517	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+H+K"	39.970434
"702665"	494.192667	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+H+K"	39.970434
"1453206"	178.054367	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H+K"	39.970434
"243994"	674.310426	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+ACN+H"	42.033826
"1218891"	358.172126	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+ACN+H"	42.033826
"1203871"	179.589701	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+ACN+2H"	43.041102
"195648"	677.24776	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+2Na-H"	44.97116
"641405"	993.38606	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+2Na-H"	44.97116
"1143088"	361.10946	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2Na-H"	44.97116
"185286"	339.127518	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+2Na"	45.978436
"623391"	497.196668	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+2Na"	45.978436
"1126167"	181.058368	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2Na"	45.978436
"1410784"	121.041337333333	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H+2Na"	46.985712
"1441808"	363.151046	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H+HCOOH"	47.012746
"230411"	344.16054	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+3H2O+2H"	56.04448
"1521632"	377.20309	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+IsoProp+H"	61.06479
"418158"	347.114488	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+Na+K"	61.952376
"783894"	505.183638	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+Na+K"	61.952376
"1675491"	189.045338	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Na+K"	61.952376
"262010"	696.292368	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+ACN+Na"	64.015768
"1235811"	380.154068	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+ACN+Na"	64.015768
"1722507"	380.177593	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+NH4+HCOOH"	64.039293
"1185308"	128.368651333333	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+3Na"	68.967654
"1656661"	385.132988	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Na+HCOOH"	68.994688
"167536"	709.19564	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+2K-H"	76.91904
"608918"	1025.33394	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+2K-H"	76.91904
"1095253"	393.05734	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2K-H"	76.91904
"148788"	355.101458	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"2M+2K"	77.926316
"583974"	513.170608	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"3M+2K"	77.926316
"1073954"	197.032308	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2K"	77.926316
"1108259"	395.071892	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2K+H"	78.933592
"1345738"	395.159507	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+DMSO+H"	79.021207
"1012082"	399.198676	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2ACN+H"	83.060376
"1534580"	400.192308	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+IsoProp+Na+H"	84.054008
"1004071"	200.102976	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+2ACN+2H"	84.067652
"1598813"	401.106928	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+K+HCOOH"	84.968628
"1422285"	431.138438	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+H+CF3COOH"	115.000138
"1159135"	220.616251	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+3ACN+2H"	125.094202
"1707593"	448.164985	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+NH4+CF3COOH"	132.026685
"1645430"	453.12038	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+Na+CF3COOH"	136.98208
"1586546"	469.09432	"C20965"	"N(beta)-Epoxysuccinamoyl-DAP-Val;N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanyl-L-valine"	"C12H20N4O6"	"316.1383"	"M+K+CF3COOH"	152.95602
"808162"	201.075	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M"	0
"974767"	182.05661	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-H2O-H"	-19.01839
"72129"	133.042724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M-3H"	-3.021828
"516061"	200.067724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M-3H"	-3.021828
"888406"	66.017724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-3H"	-3.021828
"12448"	200.067724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M-2H"	-2.014552
"449820"	300.605224	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M-2H"	-2.014552
"821062"	99.530224	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-2H"	-2.014552
"81781"	401.142724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M-H"	-1.007276
"524989"	602.217724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M-H"	-1.007276
"900604"	200.067724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-H"	-1.007276
"53886"	418.169271	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M-2H+NH4"	16.019271
"493446"	619.244271	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M-2H+NH4"	16.019271
"869062"	217.094271	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-2H+NH4"	16.019271
"35869"	423.124666	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M-2H+Na"	20.974666
"476522"	624.199666	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M-2H+Na"	20.974666
"858700"	222.049666	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-2H+Na"	20.974666
"1630420"	222.049666	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Na-2H"	20.974666
"104763"	218.056063	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M-H+Cl"	33.962126
"547603"	318.593563	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M-H+Cl"	33.962126
"937837"	117.518563	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-H+Cl"	33.962126
"279674"	437.119402	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+Cl"	34.969402
"673920"	638.194402	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+Cl"	34.969402
"1284499"	236.044402	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Cl"	34.969402
"27784"	439.098606	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M-2H+K"	36.948606
"466616"	640.173606	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M-2H+K"	36.948606
"846244"	238.023606	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-2H+K"	36.948606
"1563534"	238.023606	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+K-2H"	36.948606
"951418"	246.073194	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-H+HCOOH"	44.998194
"367446"	447.148201	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+HCOOH-H"	44.998201
"352425"	461.163851	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+Hac-H"	59.013851
"1500166"	260.088851	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Hac-H"	59.013851
"963331"	268.055151	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-H+NaCOOH"	66.980151
"116611"	236.044402	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+2Cl"	69.938804
"552894"	336.581902	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+2Cl"	69.938804
"1028258"	135.506902	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2Cl"	69.938804
"1255493"	279.993885	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Br"	78.918885
"1313565"	282.049872	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Cl+HCOOH"	80.974872
"1332155"	304.031829	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Cl+NaCOOH"	102.956829
"919933"	314.060586	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M-H+CF3COOH"	112.985586
"1299928"	350.037264	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Cl+CF3COOH"	148.962264
"1378089"	166.062324	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H-2H2O"	-35.012676
"1394490"	184.0723	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H-H2O"	-17.0027
"295269"	403.157276	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+H"	1.007276
"688787"	604.232276	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+H"	1.007276
"1366242"	202.082276	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H"	1.007276
"140106"	202.082276	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+2H"	2.014552
"580154"	302.619776	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+2H"	2.014552
"1051871"	101.544776	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2H"	2.014552
"219852"	135.057276	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+3H"	3.021828
"659923"	202.082276	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+3H"	3.021828
"1177583"	68.032276	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+3H"	3.021828
"439883"	420.183823	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+NH4"	18.033823
"801074"	621.258823	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+NH4"	18.033823
"1696994"	219.108823	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+NH4"	18.033823
"341595"	210.5955495	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+H+NH4"	19.041099
"735839"	311.1330495	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+H+NH4"	19.041099
"1482735"	110.0580495	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H+NH4"	19.041099
"399227"	425.139218	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+Na"	22.989218
"764596"	626.214218	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+Na"	22.989218
"1611602"	224.064218	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Na"	22.989218
"318723"	213.073247	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+H+Na"	23.996494
"711873"	313.610747	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+H+Na"	23.996494
"1472251"	112.535747	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H+Na"	23.996494
"1062215"	75.35959	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2H+Na"	25.00377
"1258793"	234.108486	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+CH3OH+H"	33.033486
"383565"	441.113158	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+K"	38.963158
"741277"	642.188158	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+K"	38.963158
"1543695"	240.038158	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+K"	38.963158
"301600"	221.060217	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+H+K"	39.970434
"702775"	321.597717	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+H+K"	39.970434
"1454409"	120.522717	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H+K"	39.970434
"244104"	444.183826	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+ACN+H"	42.033826
"1219001"	243.108826	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+ACN+H"	42.033826
"1205074"	122.058051	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+ACN+2H"	43.041102
"197945"	447.12116	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+2Na-H"	44.97116
"640784"	648.19616	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+2Na-H"	44.97116
"1144657"	246.04616	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2Na-H"	44.97116
"186007"	224.064218	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+2Na"	45.978436
"623136"	324.601718	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+2Na"	45.978436
"1125913"	123.526718	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2Na"	45.978436
"1408707"	82.686904	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H+2Na"	46.985712
"1440824"	248.087746	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H+HCOOH"	47.012746
"231614"	229.09724	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+3H2O+2H"	56.04448
"1519676"	262.13979	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+IsoProp+H"	61.06479
"418268"	232.051188	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+Na+K"	61.952376
"783638"	332.588688	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+Na+K"	61.952376
"1678151"	131.513688	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Na+K"	61.952376
"263213"	466.165768	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+ACN+Na"	64.015768
"1236286"	265.090768	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+ACN+Na"	64.015768
"1721523"	265.114293	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+NH4+HCOOH"	64.039293
"1185054"	90.014218	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+3Na"	68.967654
"1656771"	270.069688	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Na+HCOOH"	68.994688
"167282"	479.06904	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+2K-H"	76.91904
"606476"	680.14404	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+2K-H"	76.91904
"1095364"	277.99404	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2K-H"	76.91904
"148899"	240.038158	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"2M+2K"	77.926316
"585179"	340.575658	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"3M+2K"	77.926316
"1074065"	139.500658	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2K"	77.926316
"1110555"	280.008592	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2K+H"	78.933592
"1346942"	280.096207	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+DMSO+H"	79.021207
"1015472"	284.135376	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2ACN+H"	83.060376
"1533597"	285.129008	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+IsoProp+Na+H"	84.054008
"1004303"	142.571326	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+2ACN+2H"	84.067652
"1598923"	286.043628	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+K+HCOOH"	84.968628
"1419115"	316.075138	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+H+CF3COOH"	115.000138
"1162040"	163.084601	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+3ACN+2H"	125.094202
"1710983"	333.101685	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+NH4+CF3COOH"	132.026685
"1648820"	338.05708	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+Na+CF3COOH"	136.98208
"1586656"	354.03102	"C20966"	"3-(2E)-4-Amino-4-oxobut-2-enoylamino-L-alanine"	"C7H11N3O4"	"201.075"	"M+K+CF3COOH"	152.95602
"807179"	217.0699	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M"	0
"975969"	198.05151	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-H2O-H"	-19.01839
"72238"	143.705990666667	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M-3H"	-3.021828
"513984"	216.062624	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M-3H"	-3.021828
"890704"	71.3493573333333	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-3H"	-3.021828
"12558"	216.062624	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M-2H"	-2.014552
"452116"	324.597574	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M-2H"	-2.014552
"822266"	107.527674	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-2H"	-2.014552
"82622"	433.132524	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M-H"	-1.007276
"524007"	650.202424	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M-H"	-1.007276
"902902"	216.062624	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-H"	-1.007276
"53997"	450.159071	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M-2H+NH4"	16.019271
"496840"	667.228971	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M-2H+NH4"	16.019271
"871359"	233.089171	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-2H+NH4"	16.019271
"37073"	455.114466	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M-2H+Na"	20.974666
"475539"	672.184366	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M-2H+Na"	20.974666
"860998"	238.044566	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-2H+Na"	20.974666
"1630532"	238.044566	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Na-2H"	20.974666
"104873"	234.050963	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M-H+Cl"	33.962126
"544433"	342.585913	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M-H+Cl"	33.962126
"937947"	125.516013	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-H+Cl"	33.962126
"279784"	469.109202	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+Cl"	34.969402
"671113"	686.179102	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+Cl"	34.969402
"1285338"	252.039302	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Cl"	34.969402
"19874"	471.088406	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M-2H+K"	36.948606
"460527"	688.158306	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M-2H+K"	36.948606
"843438"	254.018506	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-2H+K"	36.948606
"1563643"	254.018506	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+K-2H"	36.948606
"950432"	262.068094	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-H+HCOOH"	44.998194
"369742"	479.138001	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+HCOOH-H"	44.998201
"353628"	493.153651	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+Hac-H"	59.013851
"1500276"	276.083751	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Hac-H"	59.013851
"962711"	284.050051	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-H+NaCOOH"	66.980151
"114533"	252.039302	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+2Cl"	69.938804
"551545"	360.574252	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+2Cl"	69.938804
"1028368"	143.504352	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2Cl"	69.938804
"1252321"	295.988785	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Br"	78.918885
"1313675"	298.044772	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Cl+HCOOH"	80.974872
"1331170"	320.026729	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Cl+NaCOOH"	102.956829
"920043"	330.055486	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M-H+CF3COOH"	112.985586
"1302224"	366.032164	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Cl+CF3COOH"	148.962264
"1380387"	182.057224	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H-2H2O"	-35.012676
"1396423"	200.0672	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H-H2O"	-17.0027
"295379"	435.147076	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+H"	1.007276
"688897"	652.216976	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+H"	1.007276
"1366950"	218.077176	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H"	1.007276
"139974"	218.077176	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+2H"	2.014552
"579535"	326.612126	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+2H"	2.014552
"1052101"	109.542226	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2H"	2.014552
"219841"	145.720542666667	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+3H"	3.021828
"659652"	218.077176	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+3H"	3.021828
"1178382"	73.3639093333333	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+3H"	3.021828
"439859"	452.173623	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+NH4"	18.033823
"801103"	669.243523	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+NH4"	18.033823
"1696905"	235.103723	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+NH4"	18.033823
"343529"	226.5904495	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+H+NH4"	19.041099
"738397"	335.1253995	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+H+NH4"	19.041099
"1489405"	118.0554995	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H+NH4"	19.041099
"406628"	457.129018	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+Na"	22.989218
"764707"	674.198918	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+Na"	22.989218
"1612806"	240.059118	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Na"	22.989218
"317740"	229.068147	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+H+Na"	23.996494
"711983"	337.603097	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+H+Na"	23.996494
"1466167"	120.533197	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H+Na"	23.996494
"1064514"	80.6912233333333	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2H+Na"	25.00377
"1261820"	250.103386	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+CH3OH+H"	33.033486
"384769"	473.102958	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+K"	38.963158
"741387"	690.172858	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+K"	38.963158
"1544169"	256.033058	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+K"	38.963158
"300616"	237.055117	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+H+K"	39.970434
"702886"	345.590067	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+H+K"	39.970434
"1454519"	128.520167	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H+K"	39.970434
"242027"	476.173626	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+ACN+H"	42.033826
"1219111"	259.103726	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+ACN+H"	42.033826
"1208101"	130.055501	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+ACN+2H"	43.041102
"201335"	479.11096	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+2Na-H"	44.97116
"641988"	696.18086	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+2Na-H"	44.97116
"1146471"	262.04106	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2Na-H"	44.97116
"187330"	240.059118	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+2Na"	45.978436
"626162"	348.594068	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+2Na"	45.978436
"1127481"	131.524168	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2Na"	45.978436
"1409912"	88.0185373333333	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H+2Na"	46.985712
"1440937"	264.082646	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H+HCOOH"	47.012746
"232817"	245.09214	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+3H2O+2H"	56.04448
"1520880"	278.13469	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+IsoProp+H"	61.06479
"423363"	248.046088	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+Na+K"	61.952376
"784118"	356.581038	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+Na+K"	61.952376
"1679355"	139.511138	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Na+K"	61.952376
"263689"	498.155568	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+ACN+Na"	64.015768
"1236032"	281.085668	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+ACN+Na"	64.015768
"1723824"	281.109193	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+NH4+HCOOH"	64.039293
"1189904"	95.3458513333333	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+3Na"	68.967654
"1657974"	286.064588	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Na+HCOOH"	68.994688
"169213"	511.05884	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+2K-H"	76.91904
"608772"	728.12874	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+2K-H"	76.91904
"1096568"	293.98894	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2K-H"	76.91904
"152289"	256.033058	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"2M+2K"	77.926316
"587476"	364.568008	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"3M+2K"	77.926316
"1076362"	147.498108	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2K"	77.926316
"1108478"	296.003492	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2K+H"	78.933592
"1349238"	296.091107	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+DMSO+H"	79.021207
"1020689"	300.130276	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2ACN+H"	83.060376
"1536987"	301.123908	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+IsoProp+Na+H"	84.054008
"1004534"	150.568776	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+2ACN+2H"	84.067652
"1600127"	302.038528	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+K+HCOOH"	84.968628
"1427973"	332.070038	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+H+CF3COOH"	115.000138
"1162636"	171.082051	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+3ACN+2H"	125.094202
"1710000"	349.096585	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+NH4+CF3COOH"	132.026685
"1648931"	354.05198	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+Na+CF3COOH"	136.98208
"1586766"	370.02592	"C20967"	"N(beta)-Epoxysuccinamoyl-DAP;N(beta)-Epoxysuccinamoyl-diaminopropionate;3-((2R3R)-3-Carbamoyloxiran-2-ylcarbonylamino)-L-alanine"	"C7H11N3O5"	"217.0699"	"M+K+CF3COOH"	152.95602
"807289"	885.1241	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M"	0
"974405"	866.10571	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-H2O-H"	-19.01839
"73441"	589.075457333333	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M-3H"	-3.021828
"514094"	884.116824	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M-3H"	-3.021828
"894821"	294.034090666667	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-3H"	-3.021828
"14851"	884.116824	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M-2H"	-2.014552
"445663"	1326.678874	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M-2H"	-2.014552
"823470"	441.554774	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-2H"	-2.014552
"82730"	1769.240924	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M-H"	-1.007276
"523020"	2654.365024	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M-H"	-1.007276
"899001"	884.116824	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-H"	-1.007276
"50459"	1786.267471	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M-2H+NH4"	16.019271
"495857"	2671.391571	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M-2H+NH4"	16.019271
"868190"	901.143371	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-2H+NH4"	16.019271
"37183"	1791.222866	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M-2H+Na"	20.974666
"474556"	2676.346966	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M-2H+Na"	20.974666
"861108"	906.098766	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-2H+Na"	20.974666
"1631735"	906.098766	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Na-2H"	20.974666
"104983"	902.105163	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M-H+Cl"	33.962126
"544543"	1344.667213	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M-H+Cl"	33.962126
"938786"	459.543113	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-H+Cl"	33.962126
"279894"	1805.217602	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+Cl"	34.969402
"670130"	2690.341702	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+Cl"	34.969402
"1283626"	920.093502	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Cl"	34.969402
"19984"	1807.196806	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M-2H+K"	36.948606
"460636"	2692.320906	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M-2H+K"	36.948606
"843548"	922.072706	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-2H+K"	36.948606
"1560474"	922.072706	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+K-2H"	36.948606
"946170"	930.122294	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-H+HCOOH"	44.998194
"367666"	1815.246401	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+HCOOH-H"	44.998201
"353738"	1829.262051	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+Hac-H"	59.013851
"1501479"	944.137951	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Hac-H"	59.013851
"961364"	952.104251	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-H+NaCOOH"	66.980151
"113550"	920.093502	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+2Cl"	69.938804
"551655"	1362.655552	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+2Cl"	69.938804
"1028478"	477.531452	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2Cl"	69.938804
"1253524"	964.042985	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Br"	78.918885
"1314878"	966.098972	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Cl+HCOOH"	80.974872
"1332373"	988.080929	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Cl+NaCOOH"	102.956829
"921246"	998.109686	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M-H+CF3COOH"	112.985586
"1300148"	1034.086364	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Cl+CF3COOH"	148.962264
"1380496"	850.111424	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H-2H2O"	-35.012676
"1396897"	868.1214	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H-H2O"	-17.0027
"295489"	1771.255476	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+H"	1.007276
"689979"	2656.379576	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+H"	1.007276
"1365734"	886.131376	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H"	1.007276
"140446"	886.131376	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+2H"	2.014552
"579279"	1328.693426	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+2H"	2.014552
"1051847"	443.569326	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2H"	2.014552
"219586"	591.090009333333	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+3H"	3.021828
"659470"	886.131376	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+3H"	3.021828
"1178409"	296.048642666667	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+3H"	3.021828
"439914"	1788.282023	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+NH4"	18.033823
"800477"	2673.406123	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+NH4"	18.033823
"1696822"	903.157923	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+NH4"	18.033823
"345342"	894.6446495	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+H+NH4"	19.041099
"738088"	1337.2066995	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+H+NH4"	19.041099
"1492072"	452.0825995	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H+NH4"	19.041099
"406009"	1793.237418	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+Na"	22.989218
"764817"	2678.361518	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+Na"	22.989218
"1610730"	908.113318	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Na"	22.989218
"316028"	897.122347	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+H+Na"	23.996494
"714280"	1339.684397	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+H+Na"	23.996494
"1467007"	454.560297	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H+Na"	23.996494
"1061345"	303.375956666667	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2H+Na"	25.00377
"1264117"	918.157586	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+CH3OH+H"	33.033486
"381598"	1809.211358	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+K"	38.963158
"746965"	2694.335458	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+K"	38.963158
"1541363"	924.087258	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+K"	38.963158
"303643"	905.109317	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+H+K"	39.970434
"700808"	1347.671367	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+H+K"	39.970434
"1457909"	462.547267	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H+K"	39.970434
"247605"	1812.282026	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+ACN+H"	42.033826
"1220315"	927.157926	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+ACN+H"	42.033826
"1209591"	464.082601	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+ACN+2H"	43.041102
"201445"	1815.21936	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+2Na-H"	44.97116
"642098"	2700.34346	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+2Na-H"	44.97116
"1146216"	930.09526	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2Na-H"	44.97116
"188238"	908.113318	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+2Na"	45.978436
"627003"	1350.675368	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+2Na"	45.978436
"1129778"	465.551268	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2Na"	45.978436
"1411115"	310.703270666667	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H+2Na"	46.985712
"1441045"	932.136846	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H+HCOOH"	47.012746
"235114"	913.14634	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+3H2O+2H"	56.04448
"1520990"	946.18889	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+IsoProp+H"	61.06479
"421769"	916.100288	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+Na+K"	61.952376
"784227"	1358.662338	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+Na+K"	61.952376
"1677643"	473.538238	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Na+K"	61.952376
"263799"	1834.263968	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+ACN+Na"	64.015768
"1236142"	949.139868	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+ACN+Na"	64.015768
"1725391"	949.163393	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+NH4+HCOOH"	64.039293
"1188192"	318.030584666667	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+3Na"	68.967654
"1660271"	954.118788	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Na+HCOOH"	68.994688
"169324"	1847.16724	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+2K-H"	76.91904
"608882"	2732.29134	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+2K-H"	76.91904
"1096676"	962.04314	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2K-H"	76.91904
"150214"	924.087258	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"2M+2K"	77.926316
"585399"	1366.649308	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"3M+2K"	77.926316
"1076472"	481.525208	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2K"	77.926316
"1107495"	964.057692	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2K+H"	78.933592
"1348863"	964.145307	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+DMSO+H"	79.021207
"1020923"	968.184476	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2ACN+H"	83.060376
"1537097"	969.178108	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+IsoProp+Na+H"	84.054008
"1005252"	484.595876	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+2ACN+2H"	84.067652
"1602705"	970.092728	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+K+HCOOH"	84.968628
"1428083"	1000.124238	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+H+CF3COOH"	115.000138
"1162464"	505.109151	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+3ACN+2H"	125.094202
"1710110"	1017.150785	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+NH4+CF3COOH"	132.026685
"1649041"	1022.10618	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+Na+CF3COOH"	136.98208
"1586876"	1038.08012	"C20968"	"3-Hydroxy-3-(methylthio)propanoyl-CoA"	"C25H42N7O18P3S2"	"885.1241"	"M+K+CF3COOH"	152.95602
"807399"	141.9667	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M"	0
"974729"	122.94831	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-H2O-H"	-19.01839
"70271"	93.6371906666667	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M-3H"	-3.021828
"510924"	140.959424	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M-3H"	-3.021828
"889829"	46.3149573333333	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-3H"	-3.021828
"11681"	140.959424	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M-2H"	-2.014552
"442493"	211.942774	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M-2H"	-2.014552
"821392"	69.976074	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-2H"	-2.014552
"82476"	282.926124	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M-H"	-1.007276
"519849"	424.892824	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M-H"	-1.007276
"896316"	140.959424	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-H"	-1.007276
"49841"	299.952671	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M-2H+NH4"	16.019271
"488675"	441.919371	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M-2H+NH4"	16.019271
"869390"	157.985971	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-2H+NH4"	16.019271
"36197"	304.908066	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M-2H+Na"	20.974666
"475759"	446.874766	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M-2H+Na"	20.974666
"859031"	162.941366	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-2H+Na"	20.974666
"1626377"	162.941366	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Na-2H"	20.974666
"103999"	158.947763	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M-H+Cl"	33.962126
"536998"	229.931113	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M-H+Cl"	33.962126
"928689"	87.964413	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-H+Cl"	33.962126
"276724"	318.902802	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+Cl"	34.969402
"670240"	460.869502	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+Cl"	34.969402
"1282643"	176.936102	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Cl"	34.969402
"19365"	320.882006	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M-2H+K"	36.948606
"458194"	462.848706	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M-2H+K"	36.948606
"833440"	178.915306	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-2H+K"	36.948606
"1560581"	178.915306	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+K-2H"	36.948606
"944092"	186.964894	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-H+HCOOH"	44.998194
"362309"	328.931601	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+HCOOH-H"	44.998201
"351661"	342.947251	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+Hac-H"	59.013851
"1501589"	200.980551	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Hac-H"	59.013851
"959286"	208.946851	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-H+NaCOOH"	66.980151
"112200"	176.936102	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+2Cl"	69.938804
"551400"	247.919452	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+2Cl"	69.938804
"1025307"	105.952752	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2Cl"	69.938804
"1253634"	220.885585	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Br"	78.918885
"1314988"	222.941572	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Cl+HCOOH"	80.974872
"1331390"	244.923529	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Cl+NaCOOH"	102.956829
"921356"	254.952286	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M-H+CF3COOH"	112.985586
"1300258"	290.928964	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Cl+CF3COOH"	148.962264
"1379149"	106.954024	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H-2H2O"	-35.012676
"1394821"	124.964	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H-H2O"	-17.0027
"292319"	284.940676	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+H"	1.007276
"685837"	426.907376	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+H"	1.007276
"1366208"	142.973976	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H"	1.007276
"139098"	142.973976	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+2H"	2.014552
"580480"	213.957326	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+2H"	2.014552
"1051832"	71.990626	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2H"	2.014552
"219490"	95.6517426666667	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+3H"	3.021828
"659536"	142.973976	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+3H"	3.021828
"1178027"	48.3295093333333	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+3H"	3.021828
"439596"	301.967223	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+NH4"	18.033823
"795482"	443.933923	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+NH4"	18.033823
"1696434"	160.000523	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+NH4"	18.033823
"344840"	151.4872495	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+H+NH4"	19.041099
"736900"	222.4705995	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+H+NH4"	19.041099
"1489628"	80.5038995	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H+NH4"	19.041099
"403933"	306.922618	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+Na"	22.989218
"764926"	448.889318	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+Na"	22.989218
"1611933"	164.955918	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Na"	22.989218
"316138"	153.964947	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+H+Na"	23.996494
"711110"	224.948297	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+H+Na"	23.996494
"1466024"	82.981597	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H+Na"	23.996494
"1058540"	55.6568233333333	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2H+Na"	25.00377
"1262039"	175.000186	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+CH3OH+H"	33.033486
"378426"	322.896558	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+K"	38.963158
"743795"	464.863258	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+K"	38.963158
"1541109"	180.929858	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+K"	38.963158
"303753"	161.951917	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+H+K"	39.970434
"697638"	232.935267	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+H+K"	39.970434
"1453646"	90.968567	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H+K"	39.970434
"244434"	325.967226	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+ACN+H"	42.033826
"1220424"	184.000526	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+ACN+H"	42.033826
"1209500"	92.503901	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+ACN+2H"	43.041102
"203379"	328.90456	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+2Na-H"	44.97116
"642208"	470.87126	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+2Na-H"	44.97116
"1146611"	186.93786	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2Na-H"	44.97116
"188242"	164.955918	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+2Na"	45.978436
"626383"	235.939268	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+2Na"	45.978436
"1126611"	93.972568	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2Na"	45.978436
"1410134"	62.9841373333333	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H+2Na"	46.985712
"1436782"	188.979446	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H+HCOOH"	47.012746
"233767"	169.98894	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+3H2O+2H"	56.04448
"1520008"	203.03149	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+IsoProp+H"	61.06479
"420786"	172.942888	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+Na+K"	61.952376
"783970"	243.926238	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+Na+K"	61.952376
"1680301"	101.959538	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Na+K"	61.952376
"265366"	347.949168	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+ACN+Na"	64.015768
"1238438"	205.982468	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+ACN+Na"	64.015768
"1725136"	206.005993	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+NH4+HCOOH"	64.039293
"1187209"	70.3114513333333	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+3Na"	68.967654
"1658194"	210.961388	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Na+HCOOH"	68.994688
"168342"	360.85244	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+2K-H"	76.91904
"607899"	502.81914	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+2K-H"	76.91904
"1095693"	218.88574	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2K-H"	76.91904
"152510"	180.929858	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"2M+2K"	77.926316
"586602"	251.913208	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"3M+2K"	77.926316
"1076582"	109.946508	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2K"	77.926316
"1107605"	220.900292	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2K+H"	78.933592
"1349702"	220.987907	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+DMSO+H"	79.021207
"1021238"	225.027076	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2ACN+H"	83.060376
"1537207"	226.020708	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+IsoProp+Na+H"	84.054008
"1005363"	113.017176	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+2ACN+2H"	84.067652
"1602523"	226.935328	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+K+HCOOH"	84.968628
"1428193"	256.966838	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+H+CF3COOH"	115.000138
"1161642"	133.530451	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+3ACN+2H"	125.094202
"1710220"	273.993385	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+NH4+CF3COOH"	132.026685
"1649151"	278.94878	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+Na+CF3COOH"	136.98208
"1586986"	294.92272	"C20969"	"Carboxyphosphate"	"CH3O6P"	"141.9667"	"M+K+CF3COOH"	152.95602
"807509"	1001.5447	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M"	0
"975936"	982.52631	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-H2O-H"	-19.01839
"71474"	666.689190666667	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M-3H"	-3.021828
"514314"	1000.537424	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M-3H"	-3.021828
"891032"	332.840957333333	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-3H"	-3.021828
"9605"	1000.537424	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M-2H"	-2.014552
"443696"	1501.309774	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M-2H"	-2.014552
"818582"	499.765074	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-2H"	-2.014552
"82585"	2002.082124	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M-H"	-1.007276
"521416"	3003.626824	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M-H"	-1.007276
"898127"	1000.537424	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-H"	-1.007276
"53230"	2019.108671	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M-2H+NH4"	16.019271
"490240"	3020.653371	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M-2H+NH4"	16.019271
"868770"	1017.563971	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-2H+NH4"	16.019271
"35942"	2024.064066	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M-2H+Na"	20.974666
"476962"	3025.608766	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M-2H+Na"	20.974666
"859141"	1022.519366	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-2H+Na"	20.974666
"1626487"	1022.519366	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Na-2H"	20.974666
"103016"	1018.525763	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M-H+Cl"	33.962126
"538564"	1519.298113	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M-H+Cl"	33.962126
"930984"	517.753413	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-H+Cl"	33.962126
"274647"	2038.058802	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+Cl"	34.969402
"667070"	3039.603502	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+Cl"	34.969402
"1279473"	1036.514102	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Cl"	34.969402
"20203"	2040.038006	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M-2H+K"	36.948606
"459397"	3041.582706	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M-2H+K"	36.948606
"833916"	1038.493306	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-2H+K"	36.948606
"1556063"	1038.493306	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+K-2H"	36.948606
"943182"	1046.542894	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-H+HCOOH"	44.998194
"361474"	2048.087601	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+HCOOH-H"	44.998201
"345846"	2062.103251	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+Hac-H"	59.013851
"1494403"	1060.558551	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Hac-H"	59.013851
"958599"	1068.524851	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-H+NaCOOH"	66.980151
"111943"	1036.514102	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+2Cl"	69.938804
"551867"	1537.286452	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+2Cl"	69.938804
"1026507"	535.741752	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2Cl"	69.938804
"1244995"	1080.463585	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Br"	78.918885
"1309628"	1082.519572	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Cl+HCOOH"	80.974872
"1324207"	1104.501529	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Cl+NaCOOH"	102.956829
"921466"	1114.530286	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M-H+CF3COOH"	112.985586
"1292712"	1150.506964	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Cl+CF3COOH"	148.962264
"1371965"	966.532024	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H-2H2O"	-35.012676
"1396023"	984.542	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H-H2O"	-17.0027
"292429"	2004.096676	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+H"	1.007276
"688131"	3005.641376	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+H"	1.007276
"1365953"	1002.551976	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H"	1.007276
"139936"	1002.551976	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+2H"	2.014552
"580992"	1503.324326	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+2H"	2.014552
"1051934"	501.779626	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2H"	2.014552
"219924"	668.703742666667	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+3H"	3.021828
"659889"	1002.551976	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+3H"	3.021828
"1178134"	334.855509333333	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+3H"	3.021828
"439786"	2021.123223	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+NH4"	18.033823
"797779"	3022.667923	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+NH4"	18.033823
"1696542"	1019.578523	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+NH4"	18.033823
"343126"	1011.0652495	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+H+NH4"	19.041099
"731538"	1511.8375995	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+H+NH4"	19.041099
"1489371"	510.2928995	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H+NH4"	19.041099
"404039"	2026.078618	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+Na"	22.989218
"763941"	3027.623318	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+Na"	22.989218
"1610946"	1024.533918	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Na"	22.989218
"319891"	1013.542947	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+H+Na"	23.996494
"711219"	1514.315297	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+H+Na"	23.996494
"1468319"	512.770597	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H+Na"	23.996494
"1059376"	342.182823333333	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2H+Na"	25.00377
"1263240"	1034.578186	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+CH3OH+H"	33.033486
"381814"	2042.052558	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+K"	38.963158
"742809"	3043.597258	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+K"	38.963158
"1540038"	1040.507858	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+K"	38.963158
"299609"	1021.529917	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+H+K"	39.970434
"693367"	1522.302267	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+H+K"	39.970434
"1449015"	520.757567	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H+K"	39.970434
"240533"	2045.123226	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+ACN+H"	42.033826
"1214334"	1043.578526	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+ACN+H"	42.033826
"1199315"	522.292901	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+ACN+2H"	43.041102
"197289"	2048.06056	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+2Na-H"	44.97116
"634662"	3049.60526	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+2Na-H"	44.97116
"1141450"	1046.51586	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2Na-H"	44.97116
"182554"	1024.533918	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+2Na"	45.978436
"623206"	1525.306268	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+2Na"	45.978436
"1124530"	523.761568	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2Na"	45.978436
"1406597"	349.510137333333	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H+2Na"	46.985712
"1433609"	1048.557446	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H+HCOOH"	47.012746
"226584"	1029.56694	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+3H2O+2H"	56.04448
"1518292"	1062.60949	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+IsoProp+H"	61.06479
"414335"	1032.520888	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+Na+K"	61.952376
"777517"	1533.293238	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+Na+K"	61.952376
"1670567"	531.748538	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Na+K"	61.952376
"254901"	2067.105168	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+ACN+Na"	64.015768
"1231984"	1065.560468	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+ACN+Na"	64.015768
"1717589"	1065.583993	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+NH4+HCOOH"	64.039293
"1183307"	356.837451333333	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+3Na"	68.967654
"1656117"	1070.539388	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Na+HCOOH"	68.994688
"161886"	2080.00844	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+2K-H"	76.91904
"605821"	3081.55314	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+2K-H"	76.91904
"1090333"	1078.46374	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2K-H"	76.91904
"144961"	1040.507858	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"2M+2K"	77.926316
"582822"	1541.280208	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"3M+2K"	77.926316
"1069514"	539.735508	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2K"	77.926316
"1105527"	1080.478292	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2K+H"	78.933592
"1343007"	1080.565907	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+DMSO+H"	79.021207
"1010443"	1084.605076	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2ACN+H"	83.060376
"1524799"	1085.598708	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+IsoProp+Na+H"	84.054008
"1001580"	542.806176	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+2ACN+2H"	84.067652
"1596082"	1086.513328	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+K+HCOOH"	84.968628
"1423928"	1116.544838	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+H+CF3COOH"	115.000138
"1156404"	563.319451	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+3ACN+2H"	125.094202
"1705955"	1133.571385	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+NH4+CF3COOH"	132.026685
"1642697"	1138.52678	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+Na+CF3COOH"	136.98208
"1577254"	1154.50072	"C20970"	"Angiotensin A"	"C49H71N13O10"	"1001.5447"	"M+K+CF3COOH"	152.95602
"808712"	854.4763	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M"	0
"978964"	835.45791	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-H2O-H"	-19.01839
"70491"	568.643590666667	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M-3H"	-3.021828
"512238"	853.469024	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M-3H"	-3.021828
"892235"	283.818157333333	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-3H"	-3.021828
"10808"	853.469024	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M-2H"	-2.014552
"451461"	1280.707174	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M-2H"	-2.014552
"825982"	426.230874	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-2H"	-2.014552
"82694"	1707.945324	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M-H"	-1.007276
"523348"	2562.421624	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M-H"	-1.007276
"900056"	853.469024	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-H"	-1.007276
"48721"	1724.971871	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M-2H+NH4"	16.019271
"492537"	2579.448171	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M-2H+NH4"	16.019271
"868880"	870.495571	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-2H+NH4"	16.019271
"36052"	1729.927266	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M-2H+Na"	20.974666
"476707"	2584.403566	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M-2H+Na"	20.974666
"851956"	875.450966	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-2H+Na"	20.974666
"1628784"	875.450966	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Na-2H"	20.974666
"103126"	871.457363	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M-H+Cl"	33.962126
"537946"	1298.695513	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M-H+Cl"	33.962126
"930365"	444.219213	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-H+Cl"	33.962126
"274757"	1743.922002	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+Cl"	34.969402
"669367"	2598.398302	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+Cl"	34.969402
"1281770"	889.445702	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Cl"	34.969402
"20677"	1745.901206	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M-2H+K"	36.948606
"459507"	2600.377506	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M-2H+K"	36.948606
"835484"	891.424906	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-2H+K"	36.948606
"1557513"	891.424906	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+K-2H"	36.948606
"943571"	899.474494	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-H+HCOOH"	44.998194
"364709"	1753.950801	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+HCOOH-H"	44.998201
"349685"	1767.966451	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+Hac-H"	59.013851
"1494150"	913.490151	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Hac-H"	59.013851
"962053"	921.456451	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-H+NaCOOH"	66.980151
"112053"	889.445702	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+2Cl"	69.938804
"552709"	1316.683852	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+2Cl"	69.938804
"1026617"	462.207552	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2Cl"	69.938804
"1249478"	933.395185	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Br"	78.918885
"1313018"	935.451172	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Cl+HCOOH"	80.974872
"1329420"	957.433129	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Cl+NaCOOH"	102.956829
"926564"	967.461886	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M-H+CF3COOH"	112.985586
"1295009"	1003.438564	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Cl+CF3COOH"	148.962264
"1372076"	819.463624	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H-2H2O"	-35.012676
"1396133"	837.4736	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H-H2O"	-17.0027
"289259"	1709.959876	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+H"	1.007276
"688241"	2564.436176	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+H"	1.007276
"1366628"	855.483576	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H"	1.007276
"140405"	855.483576	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+2H"	2.014552
"579602"	1282.721726	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+2H"	2.014552
"1050946"	428.245426	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2H"	2.014552
"219792"	570.658142666667	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+3H"	3.021828
"659144"	855.483576	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+3H"	3.021828
"1178290"	285.832709333333	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+3H"	3.021828
"439819"	1726.986423	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+NH4"	18.033823
"798618"	2581.462723	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+NH4"	18.033823
"1696697"	872.510123	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+NH4"	18.033823
"342506"	863.9968495	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+H+NH4"	19.041099
"733835"	1291.2349995	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+H+NH4"	19.041099
"1489842"	436.7586995	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H+NH4"	19.041099
"401963"	1731.941818	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+Na"	22.989218
"762958"	2586.418118	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+Na"	22.989218
"1609963"	877.465518	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Na"	22.989218
"316721"	866.474547	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+H+Na"	23.996494
"710236"	1293.712697	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+H+Na"	23.996494
"1467336"	439.236397	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H+Na"	23.996494
"1057300"	293.160023333333	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2H+Na"	25.00377
"1261163"	887.509786	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+CH3OH+H"	33.033486
"379738"	1747.915758	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+K"	38.963158
"741826"	2602.392058	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+K"	38.963158
"1540594"	893.439458	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+K"	38.963158
"300327"	874.461517	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+H+K"	39.970434
"692749"	1301.699667	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+H+K"	39.970434
"1449125"	447.223367	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H+K"	39.970434
"238456"	1750.986426	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+ACN+H"	42.033826
"1214444"	896.510126	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+ACN+H"	42.033826
"1197237"	448.758701	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+ACN+2H"	43.041102
"199586"	1753.92376	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+2Na-H"	44.97116
"634043"	2608.40006	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+2Na-H"	44.97116
"1141560"	899.44746	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2Na-H"	44.97116
"183757"	877.465518	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+2Na"	45.978436
"620764"	1304.703668	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+2Na"	45.978436
"1124641"	450.227368	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2Na"	45.978436
"1403791"	300.487337333333	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H+2Na"	46.985712
"1433719"	901.489046	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H+HCOOH"	47.012746
"226695"	882.49854	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+3H2O+2H"	56.04448
"1516943"	915.54109	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+IsoProp+H"	61.06479
"412258"	885.452488	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+Na+K"	61.952376
"778720"	1312.690638	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+Na+K"	61.952376
"1671041"	458.214338	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Na+K"	61.952376
"256468"	1772.968368	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+ACN+Na"	64.015768
"1227717"	918.492068	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+ACN+Na"	64.015768
"1714051"	918.515593	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+NH4+HCOOH"	64.039293
"1178873"	307.814651333333	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+3Na"	68.967654
"1650752"	923.470988	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Na+HCOOH"	68.994688
"157860"	1785.87164	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+2K-H"	76.91904
"604839"	2640.34794	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+2K-H"	76.91904
"1090443"	931.39534	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2K-H"	76.91904
"147257"	893.439458	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"2M+2K"	77.926316
"582932"	1320.677608	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"3M+2K"	77.926316
"1069383"	466.201308	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2K"	77.926316
"1105636"	933.409892	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2K+H"	78.933592
"1343117"	933.497507	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+DMSO+H"	79.021207
"1011646"	937.536676	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2ACN+H"	83.060376
"1526489"	938.530308	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+IsoProp+Na+H"	84.054008
"1001690"	469.271976	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+2ACN+2H"	84.067652
"1595099"	939.444928	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+K+HCOOH"	84.968628
"1420758"	969.476438	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+H+CF3COOH"	115.000138
"1157607"	489.785251	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+3ACN+2H"	125.094202
"1704971"	986.502985	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+NH4+CF3COOH"	132.026685
"1642807"	991.45838	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+Na+CF3COOH"	136.98208
"1577364"	1007.43232	"C20971"	"Alamandine"	"C40H62N12O9"	"854.4763"	"M+K+CF3COOH"	152.95602
"814290"	512.2747	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M"	0
"977251"	493.25631	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-H2O-H"	-19.01839
"70601"	340.509190666667	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M-3H"	-3.021828
"515628"	511.267424	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M-3H"	-3.021828
"889064"	169.750957333333	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-3H"	-3.021828
"10917"	511.267424	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M-2H"	-2.014552
"451571"	767.404774	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M-2H"	-2.014552
"823905"	255.130074	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-2H"	-2.014552
"91552"	1023.542124	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M-H"	-1.007276
"525645"	1535.816824	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M-H"	-1.007276
"900167"	511.267424	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-H"	-1.007276
"49197"	1040.568671	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M-2H+NH4"	16.019271
"490461"	1552.843371	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M-2H+NH4"	16.019271
"867533"	528.293971	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-2H+NH4"	16.019271
"33610"	1045.524066	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M-2H+Na"	20.974666
"472804"	1557.798766	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M-2H+Na"	20.974666
"849998"	533.249366	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-2H+Na"	20.974666
"1629987"	533.249366	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Na-2H"	20.974666
"103236"	529.255763	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M-H+Cl"	33.962126
"538420"	785.393113	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M-H+Cl"	33.962126
"930838"	273.118413	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-H+Cl"	33.962126
"274867"	1059.518802	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+Cl"	34.969402
"668384"	1571.793502	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+Cl"	34.969402
"1281880"	547.244102	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Cl"	34.969402
"19331"	1061.498006	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M-2H+K"	36.948606
"458889"	1573.772706	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M-2H+K"	36.948606
"834501"	549.223306	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-2H+K"	36.948606
"1559446"	549.223306	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+K-2H"	36.948606
"944045"	557.272894	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-H+HCOOH"	44.998194
"363728"	1069.547601	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+HCOOH-H"	44.998201
"346518"	1083.563251	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+Hac-H"	59.013851
"1492907"	571.288551	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Hac-H"	59.013851
"961071"	579.254851	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-H+NaCOOH"	66.980151
"111435"	547.244102	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+2Cl"	69.938804
"551727"	803.381452	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+2Cl"	69.938804
"1023080"	291.106752	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2Cl"	69.938804
"1244121"	591.193585	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Br"	78.918885
"1305838"	593.249572	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Cl+HCOOH"	80.974872
"1324064"	615.231529	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Cl+NaCOOH"	102.956829
"925820"	625.260286	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M-H+CF3COOH"	112.985586
"1294026"	661.236964	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Cl+CF3COOH"	148.962264
"1373279"	477.262024	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H-2H2O"	-35.012676
"1395149"	495.272	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H-H2O"	-17.0027
"289369"	1025.556676	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+H"	1.007276
"689444"	1537.831376	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+H"	1.007276
"1366171"	513.281976	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H"	1.007276
"140520"	513.281976	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+2H"	2.014552
"580444"	769.419326	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+2H"	2.014552
"1049961"	257.144626	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2H"	2.014552
"219940"	342.523742666667	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+3H"	3.021828
"659927"	513.281976	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+3H"	3.021828
"1178434"	171.765509333333	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+3H"	3.021828
"439959"	1042.583223	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+NH4"	18.033823
"798729"	1554.857923	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+NH4"	18.033823
"1695790"	530.308523	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+NH4"	18.033823
"342616"	521.7952495	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+H+NH4"	19.041099
"733945"	777.9325995	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+H+NH4"	19.041099
"1490682"	265.6578995	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H+NH4"	19.041099
"404259"	1047.538618	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+Na"	22.989218
"764161"	1559.813318	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+Na"	22.989218
"1610073"	535.263918	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Na"	22.989218
"317195"	524.272947	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+H+Na"	23.996494
"712533"	780.410297	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+H+Na"	23.996494
"1467446"	268.135597	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H+Na"	23.996494
"1057410"	179.092823333333	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2H+Na"	25.00377
"1261273"	545.308186	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+CH3OH+H"	33.033486
"386408"	1063.512558	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+K"	38.963158
"743030"	1575.787258	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+K"	38.963158
"1547271"	551.237858	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+K"	38.963158
"301166"	532.259917	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+H+K"	39.970434
"695775"	788.397267	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+H+K"	39.970434
"1449964"	276.122567	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H+K"	39.970434
"238930"	1066.583226	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+ACN+H"	42.033826
"1213460"	554.308526	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+ACN+H"	42.033826
"1199169"	277.657901	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+ACN+2H"	43.041102
"199697"	1069.52056	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+2Na-H"	44.97116
"638161"	1581.79526	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+2Na-H"	44.97116
"1139118"	557.24586	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2Na-H"	44.97116
"180587"	535.263918	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+2Na"	45.978436
"618687"	791.401268	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+2Na"	45.978436
"1125845"	279.126568	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2Na"	45.978436
"1404994"	186.420137333333	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H+2Na"	46.985712
"1434193"	559.287446	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H+HCOOH"	47.012746
"227897"	540.29694	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+3H2O+2H"	56.04448
"1517053"	573.33949	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+IsoProp+H"	61.06479
"412002"	543.250888	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+Na+K"	61.952376
"777007"	799.388238	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+Na+K"	61.952376
"1671515"	287.113538	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Na+K"	61.952376
"258400"	1088.565168	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+ACN+Na"	64.015768
"1228191"	576.290468	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+ACN+Na"	64.015768
"1715253"	576.313993	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+NH4+HCOOH"	64.039293
"1181338"	193.747451333333	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+3Na"	68.967654
"1651713"	581.269388	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Na+HCOOH"	68.994688
"158091"	1101.46844	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+2K-H"	76.91904
"606040"	1613.74314	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+2K-H"	76.91904
"1093833"	589.19374	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2K-H"	76.91904
"148462"	551.237858	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"2M+2K"	77.926316
"584744"	807.375208	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"3M+2K"	77.926316
"1069132"	295.100508	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2K"	77.926316
"1106839"	591.208292	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2K+H"	78.933592
"1345778"	591.295907	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+DMSO+H"	79.021207
"1016128"	595.335076	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2ACN+H"	83.060376
"1526720"	596.328708	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+IsoProp+Na+H"	84.054008
"1001800"	298.171176	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+2ACN+2H"	84.067652
"1591927"	597.243328	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+K+HCOOH"	84.968628
"1420868"	627.274838	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+H+CF3COOH"	115.000138
"1154436"	318.684451	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+3ACN+2H"	125.094202
"1701801"	644.301385	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+NH4+CF3COOH"	132.026685
"1642917"	649.25678	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+Na+CF3COOH"	136.98208
"1571759"	665.23072	"C20972"	"Angiotensin (5-8);Angiotensin-(5-8)"	"C26H36N6O5"	"512.2747"	"M+K+CF3COOH"	152.95602
"811120"	365.2063	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M"	0
"979184"	346.18791	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-H2O-H"	-19.01839
"73991"	242.463590666667	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M-3H"	-3.021828
"515738"	364.199024	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M-3H"	-3.021828
"888081"	120.728157333333	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-3H"	-3.021828
"11028"	364.199024	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M-2H"	-2.014552
"451681"	546.802174	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M-2H"	-2.014552
"826202"	181.595874	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-2H"	-2.014552
"91662"	729.405324	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M-H"	-1.007276
"526849"	1094.611624	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M-H"	-1.007276
"900276"	364.199024	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-H"	-1.007276
"51371"	746.431871	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M-2H+NH4"	16.019271
"488990"	1111.638171	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M-2H+NH4"	16.019271
"866306"	381.225571	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-2H+NH4"	16.019271
"33841"	751.387266	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M-2H+Na"	20.974666
"474008"	1116.593566	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M-2H+Na"	20.974666
"851081"	386.180966	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-2H+Na"	20.974666
"1626817"	386.180966	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Na-2H"	20.974666
"103346"	382.187363	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M-H+Cl"	33.962126
"538530"	564.790513	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M-H+Cl"	33.962126
"930220"	199.584213	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-H+Cl"	33.962126
"274977"	765.382002	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+Cl"	34.969402
"664120"	1130.588302	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+Cl"	34.969402
"1280896"	400.175702	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Cl"	34.969402
"19441"	767.361206	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M-2H+K"	36.948606
"457907"	1132.567506	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M-2H+K"	36.948606
"835339"	402.154906	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-2H+K"	36.948606
"1558829"	402.154906	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+K-2H"	36.948606
"943468"	410.204494	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-H+HCOOH"	44.998194
"363106"	775.410801	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+HCOOH-H"	44.998201
"347719"	789.426451	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+Hac-H"	59.013851
"1493639"	424.220151	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Hac-H"	59.013851
"960817"	432.186451	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-H+NaCOOH"	66.980151
"110817"	400.175702	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+2Cl"	69.938804
"551472"	582.778852	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+2Cl"	69.938804
"1023190"	217.572552	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2Cl"	69.938804
"1245324"	444.125185	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Br"	78.918885
"1304489"	446.181172	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Cl+HCOOH"	80.974872
"1319957"	468.163129	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Cl+NaCOOH"	102.956829
"916327"	478.191886	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M-H+CF3COOH"	112.985586
"1295229"	514.168564	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Cl+CF3COOH"	148.962264
"1376669"	330.193624	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H-2H2O"	-35.012676
"1393073"	348.2036	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H-H2O"	-17.0027
"287292"	731.419876	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+H"	1.007276
"682994"	1096.626176	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+H"	1.007276
"1366524"	366.213576	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H"	1.007276
"140631"	366.213576	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+2H"	2.014552
"580552"	548.816726	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+2H"	2.014552
"1050435"	183.610426	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2H"	2.014552
"219562"	244.478142666667	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+3H"	3.021828
"659906"	366.213576	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+3H"	3.021828
"1178098"	122.742709333333	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+3H"	3.021828
"439589"	748.446423	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+NH4"	18.033823
"798112"	1113.652723	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+NH4"	18.033823
"1695170"	383.240123	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+NH4"	18.033823
"343819"	374.7268495	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+H+NH4"	19.041099
"734056"	557.3299995	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+H+NH4"	19.041099
"1485689"	192.1236995	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H+NH4"	19.041099
"403275"	753.401818	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+Na"	22.989218
"766458"	1118.608118	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+Na"	22.989218
"1610183"	388.195518	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Na"	22.989218
"320221"	377.204547	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+H+Na"	23.996494
"710456"	559.807697	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+H+Na"	23.996494
"1468650"	194.601397	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H+Na"	23.996494
"1060799"	130.070023333333	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2H+Na"	25.00377
"1261383"	398.239786	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+CH3OH+H"	33.033486
"386518"	769.375758	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+K"	38.963158
"744233"	1134.582058	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+K"	38.963158
"1548474"	404.169458	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+K"	38.963158
"301276"	385.191517	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+H+K"	39.970434
"700258"	567.794667	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+H+K"	39.970434
"1448617"	202.588367	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H+K"	39.970434
"240498"	772.446426	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+ACN+H"	42.033826
"1213205"	407.240126	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+ACN+H"	42.033826
"1197455"	204.123701	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+ACN+2H"	43.041102
"198349"	775.38376	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+2Na-H"	44.97116
"638271"	1140.59006	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+2Na-H"	44.97116
"1139593"	410.17746	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2Na-H"	44.97116
"182883"	388.195518	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+2Na"	45.978436
"621349"	570.798668	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+2Na"	45.978436
"1126683"	205.592368	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2Na"	45.978436
"1405104"	137.397337333333	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H+2Na"	46.985712
"1435032"	412.219046	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H+HCOOH"	47.012746
"231287"	393.22854	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+3H2O+2H"	56.04448
"1518256"	426.27109	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+IsoProp+H"	61.06479
"414664"	396.182488	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+Na+K"	61.952376
"776753"	578.785638	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+Na+K"	61.952376
"1671990"	213.579338	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Na+K"	61.952376
"256687"	794.428368	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+ACN+Na"	64.015768
"1227934"	429.222068	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+ACN+Na"	64.015768
"1714999"	429.245593	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+NH4+HCOOH"	64.039293
"1180717"	144.724651333333	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+3Na"	68.967654
"1650972"	434.200988	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Na+HCOOH"	68.994688
"158321"	807.33164	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+2K-H"	76.91904
"602870"	1172.53794	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+2K-H"	76.91904
"1087381"	442.12534	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2K-H"	76.91904
"148572"	404.169458	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"2M+2K"	77.926316
"584123"	586.772608	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"3M+2K"	77.926316
"1068997"	221.566308	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2K"	77.926316
"1105856"	444.139892	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2K+H"	78.933592
"1345523"	444.227507	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+DMSO+H"	79.021207
"1016238"	448.266676	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2ACN+H"	83.060376
"1527802"	449.260308	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+IsoProp+Na+H"	84.054008
"1001910"	224.636976	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+2ACN+2H"	84.067652
"1593130"	450.174928	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+K+HCOOH"	84.968628
"1423164"	480.206438	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+H+CF3COOH"	115.000138
"1154546"	245.150251	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+3ACN+2H"	125.094202
"1701911"	497.232985	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+NH4+CF3COOH"	132.026685
"1643027"	502.18838	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+Na+CF3COOH"	136.98208
"1572111"	518.16232	"C20973"	"Angiotensin (5-7);Angiotensin-(5-7)"	"C17H27N5O4"	"365.2063"	"M+K+CF3COOH"	152.95602
"814510"	604.1428	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M"	0
"978200"	585.12441	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-H2O-H"	-19.01839
"74102"	401.754590666667	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M-3H"	-3.021828
"514755"	603.135524	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M-3H"	-3.021828
"891471"	200.373657333333	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-3H"	-3.021828
"10046"	603.135524	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M-2H"	-2.014552
"451792"	905.206924	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M-2H"	-2.014552
"827406"	301.064124	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-2H"	-2.014552
"92624"	1207.278324	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M-H"	-1.007276
"525868"	1811.421124	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M-H"	-1.007276
"902574"	603.135524	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-H"	-1.007276
"53669"	1224.304871	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M-2H+NH4"	16.019271
"490314"	1828.447671	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M-2H+NH4"	16.019271
"865078"	620.162071	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-2H+NH4"	16.019271
"34559"	1229.260266	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M-2H+Na"	20.974666
"472902"	1833.403066	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M-2H+Na"	20.974666
"849733"	625.117466	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-2H+Na"	20.974666
"1620360"	625.117466	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Na-2H"	20.974666
"103456"	621.123863	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M-H+Cl"	33.962126
"538276"	923.195263	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M-H+Cl"	33.962126
"931790"	319.052463	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-H+Cl"	33.962126
"275087"	1243.255002	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+Cl"	34.969402
"663137"	1847.397802	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+Cl"	34.969402
"1278819"	639.112202	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Cl"	34.969402
"19187"	1245.234206	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M-2H+K"	36.948606
"459840"	1849.377006	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M-2H+K"	36.948606
"842013"	641.091406	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-2H+K"	36.948606
"1564407"	641.091406	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+K-2H"	36.948606
"945729"	649.140994	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-H+HCOOH"	44.998194
"368320"	1253.283801	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+HCOOH-H"	44.998201
"350018"	1267.299451	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+Hac-H"	59.013851
"1493508"	663.156651	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Hac-H"	59.013851
"958863"	671.122951	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-H+NaCOOH"	66.980151
"110208"	639.112202	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+2Cl"	69.938804
"553771"	941.183602	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+2Cl"	69.938804
"1021475"	337.040802	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2Cl"	69.938804
"1244341"	683.061685	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Br"	78.918885
"1306423"	685.117672	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Cl+HCOOH"	80.974872
"1319901"	707.099629	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Cl+NaCOOH"	102.956829
"917531"	717.128386	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M-H+CF3COOH"	112.985586
"1295339"	753.105064	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Cl+CF3COOH"	148.962264
"1375686"	569.130124	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H-2H2O"	-35.012676
"1394276"	587.1401	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H-H2O"	-17.0027
"284120"	1209.292876	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+H"	1.007276
"679823"	1813.435676	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+H"	1.007276
"1364933"	605.150076	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H"	1.007276
"140010"	605.150076	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+2H"	2.014552
"579932"	907.221476	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+2H"	2.014552
"1050424"	303.078676	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2H"	2.014552
"219185"	403.769142666667	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+3H"	3.021828
"659602"	605.150076	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+3H"	3.021828
"1177722"	202.388209333333	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+3H"	3.021828
"436862"	1226.319423	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+NH4"	18.033823
"792751"	1830.462223	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+NH4"	18.033823
"1694917"	622.176623	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+NH4"	18.033823
"341376"	613.6633495	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+H+NH4"	19.041099
"734164"	915.7347495	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+H+NH4"	19.041099
"1484703"	311.5919495	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H+NH4"	19.041099
"402290"	1231.274818	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+Na"	22.989218
"764381"	1835.417618	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+Na"	22.989218
"1609199"	627.132018	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Na"	22.989218
"317051"	616.141047	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+H+Na"	23.996494
"711656"	918.212447	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+H+Na"	23.996494
"1467666"	314.069647	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H+Na"	23.996494
"1059815"	209.715523333333	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2H+Na"	25.00377
"1261857"	637.176286	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+CH3OH+H"	33.033486
"384442"	1247.248758	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+K"	38.963158
"741427"	1851.391558	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+K"	38.963158
"1547491"	643.105958	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+K"	38.963158
"301386"	624.128017	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+H+K"	39.970434
"698181"	926.199417	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+H+K"	39.970434
"1449089"	322.056617	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H+K"	39.970434
"237327"	1250.319426	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+ACN+H"	42.033826
"1211855"	646.176626	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+ACN+H"	42.033826
"1196107"	323.591951	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+ACN+2H"	43.041102
"195540"	1253.25676	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+2Na-H"	44.97116
"635465"	1857.39956	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+2Na-H"	44.97116
"1140795"	649.11396	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2Na-H"	44.97116
"180805"	627.132018	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+2Na"	45.978436
"618179"	929.203418	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+2Na"	45.978436
"1122784"	325.060618	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2Na"	45.978436
"1401933"	217.042837333333	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H+2Na"	46.985712
"1436235"	651.155546	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H+HCOOH"	47.012746
"221916"	632.16504	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+3H2O+2H"	56.04448
"1512899"	665.20759	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+IsoProp+H"	61.06479
"413680"	635.118988	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+Na+K"	61.952376
"775769"	937.190388	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+Na+K"	61.952376
"1670277"	333.047588	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Na+K"	61.952376
"257526"	1272.301368	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+ACN+Na"	64.015768
"1228775"	668.158568	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+ACN+Na"	64.015768
"1716201"	668.182093	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+NH4+HCOOH"	64.039293
"1179369"	224.370151333333	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+3Na"	68.967654
"1650110"	673.137488	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Na+HCOOH"	68.994688
"157950"	1285.20464	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+2K-H"	76.91904
"601156"	1889.34744	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+2K-H"	76.91904
"1085668"	681.06184	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2K-H"	76.91904
"141502"	643.105958	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"2M+2K"	77.926316
"583504"	945.177358	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"3M+2K"	77.926316
"1068504"	341.034558	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2K"	77.926316
"1099960"	683.076392	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2K+H"	78.933592
"1347819"	683.164007	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+DMSO+H"	79.021207
"1013068"	687.203176	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2ACN+H"	83.060376
"1527912"	688.196808	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+IsoProp+Na+H"	84.054008
"1002020"	344.105226	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+2ACN+2H"	84.067652
"1593240"	689.111428	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+K+HCOOH"	84.968628
"1423274"	719.142938	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+H+CF3COOH"	115.000138
"1154656"	364.618501	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+3ACN+2H"	125.094202
"1702021"	736.169485	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+NH4+CF3COOH"	132.026685
"1643137"	741.12488	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+Na+CF3COOH"	136.98208
"1577694"	757.09882	"C20974"	"8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C"	"C28H28O15"	"604.1428"	"M+K+CF3COOH"	152.95602
"808059"	618.1585	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M"	0
"977217"	599.14011	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-H2O-H"	-19.01839
"78401"	411.098390666667	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M-3H"	-3.021828
"515958"	617.151224	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M-3H"	-3.021828
"891581"	205.045557333333	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-3H"	-3.021828
"12344"	617.151224	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M-2H"	-2.014552
"453724"	926.230474	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M-2H"	-2.014552
"828608"	308.071974	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-2H"	-2.014552
"93343"	1235.309724	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M-H"	-1.007276
"529258"	1853.468224	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M-H"	-1.007276
"902686"	617.151224	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-H"	-1.007276
"57060"	1252.336271	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M-2H+NH4"	16.019271
"492976"	1870.494771	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M-2H+NH4"	16.019271
"874425"	634.177771	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-2H+NH4"	16.019271
"39045"	1257.291666	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M-2H+Na"	20.974666
"477509"	1875.450166	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M-2H+Na"	20.974666
"854218"	639.133166	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-2H+Na"	20.974666
"1625938"	639.133166	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Na-2H"	20.974666
"106845"	635.139563	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M-H+Cl"	33.962126
"544218"	944.218813	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M-H+Cl"	33.962126
"937731"	326.060313	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-H+Cl"	33.962126
"272280"	1271.286402	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+Cl"	34.969402
"669807"	1889.444902	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+Cl"	34.969402
"1280022"	653.127902	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Cl"	34.969402
"19297"	1273.265606	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M-2H+K"	36.948606
"463230"	1891.424106	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M-2H+K"	36.948606
"841030"	655.107106	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-2H+K"	36.948606
"1565610"	655.107106	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+K-2H"	36.948606
"949118"	663.156694	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-H+HCOOH"	44.998194
"368430"	1281.315201	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+HCOOH-H"	44.998201
"349399"	1295.330851	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+Hac-H"	59.013851
"1495685"	677.172351	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Hac-H"	59.013851
"966506"	685.138651	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-H+NaCOOH"	66.980151
"118695"	653.127902	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+2Cl"	69.938804
"554975"	962.207152	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+2Cl"	69.938804
"1023776"	344.048652	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2Cl"	69.938804
"1244451"	697.077385	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Br"	78.918885
"1306898"	699.133372	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Cl+HCOOH"	80.974872
"1323664"	721.115329	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Cl+NaCOOH"	102.956829
"919828"	731.144086	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M-H+CF3COOH"	112.985586
"1297636"	767.120764	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Cl+CF3COOH"	148.962264
"1375796"	583.145824	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H-2H2O"	-35.012676
"1394386"	601.1558	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H-H2O"	-17.0027
"287510"	1237.324276	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+H"	1.007276
"686493"	1855.482776	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+H"	1.007276
"1364314"	619.165776	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H"	1.007276
"139025"	619.165776	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+2H"	2.014552
"578585"	928.245026	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+2H"	2.014552
"1052118"	310.086526	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2H"	2.014552
"217461"	413.112942666667	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+3H"	3.021828
"658740"	619.165776	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+3H"	3.021828
"1178198"	207.060109333333	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+3H"	3.021828
"439162"	1254.350823	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+NH4"	18.033823
"799423"	1872.509323	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+NH4"	18.033823
"1695995"	636.192323	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+NH4"	18.033823
"341486"	627.6790495	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+H+NH4"	19.041099
"734274"	936.7582995	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+H+NH4"	19.041099
"1484813"	318.5997995	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H+NH4"	19.041099
"403493"	1259.306218	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+Na"	22.989218
"764856"	1877.464718	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+Na"	22.989218
"1608215"	641.147718	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Na"	22.989218
"316067"	630.156747	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+H+Na"	23.996494
"709581"	939.235997	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+H+Na"	23.996494
"1465587"	321.077497	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H+Na"	23.996494
"1059925"	214.387423333333	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2H+Na"	25.00377
"1261603"	651.191986	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+CH3OH+H"	33.033486
"381271"	1275.280158	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+K"	38.963158
"746639"	1893.438658	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+K"	38.963158
"1548694"	657.121658	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+K"	38.963158
"304776"	638.143717	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+H+K"	39.970434
"695011"	947.222967	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+H+K"	39.970434
"1448835"	329.064467	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H+K"	39.970434
"236344"	1278.350826	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+ACN+H"	42.033826
"1210627"	660.192326	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+ACN+H"	42.033826
"1195850"	330.599801	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+ACN+2H"	43.041102
"191275"	1281.28816	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+2Na-H"	44.97116
"632287"	1899.44666	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+2Na-H"	44.97116
"1138717"	663.12966	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2Na-H"	44.97116
"179822"	641.147718	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+2Na"	45.978436
"618289"	950.226968	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+2Na"	45.978436
"1126902"	332.068468	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2Na"	45.978436
"1405323"	221.714737333333	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H+2Na"	46.985712
"1438532"	665.171246	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H+HCOOH"	47.012746
"222515"	646.18074	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+3H2O+2H"	56.04448
"1518476"	679.22329	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+IsoProp+H"	61.06479
"417070"	649.134688	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+Na+K"	61.952376
"778066"	958.213938	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+Na+K"	61.952376
"1670023"	340.055438	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Na+K"	61.952376
"257636"	1300.332768	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+ACN+Na"	64.015768
"1229250"	682.174268	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+ACN+Na"	64.015768
"1716311"	682.197793	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+NH4+HCOOH"	64.039293
"1179029"	229.042051333333	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+3Na"	68.967654
"1650829"	687.153188	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Na+HCOOH"	68.994688
"157931"	1313.23604	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+2K-H"	76.91904
"603088"	1931.39454	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+2K-H"	76.91904
"1086507"	695.07754	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2K-H"	76.91904
"142228"	657.121658	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"2M+2K"	77.926316
"586167"	966.200908	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"3M+2K"	77.926316
"1068894"	348.042408	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2K"	77.926316
"1100606"	697.092092	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2K+H"	78.933592
"1336990"	697.179707	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+DMSO+H"	79.021207
"1014271"	701.218876	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2ACN+H"	83.060376
"1528022"	702.212508	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+IsoProp+Na+H"	84.054008
"1003223"	351.113076	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+2ACN+2H"	84.067652
"1596630"	703.127128	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+K+HCOOH"	84.968628
"1424477"	733.158638	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+H+CF3COOH"	115.000138
"1158046"	371.626351	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+3ACN+2H"	125.094202
"1705411"	750.185185	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+NH4+CF3COOH"	132.026685
"1643247"	755.14058	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+Na+CF3COOH"	136.98208
"1577804"	771.11452	"C20975"	"8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C29H30O15"	"618.1585"	"M+K+CF3COOH"	152.95602
"808169"	632.1741	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M"	0
"976234"	613.15571	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-H2O-H"	-19.01839
"75415"	420.442124	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M-3H"	-3.021828
"512788"	631.166824	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M-3H"	-3.021828
"892784"	209.717424	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-3H"	-3.021828
"11359"	631.166824	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M-2H"	-2.014552
"453107"	947.253874	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M-2H"	-2.014552
"825439"	315.079774	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-2H"	-2.014552
"90900"	1263.340924	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M-H"	-1.007276
"528274"	1895.515024	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M-H"	-1.007276
"903888"	631.166824	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-H"	-1.007276
"55347"	1280.367471	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M-2H+NH4"	16.019271
"493086"	1912.541571	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M-2H+NH4"	16.019271
"871254"	648.193371	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-2H+NH4"	16.019271
"39155"	1285.322866	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M-2H+Na"	20.974666
"477619"	1917.496966	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M-2H+Na"	20.974666
"853234"	653.148766	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-2H+Na"	20.974666
"1620943"	653.148766	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Na-2H"	20.974666
"106955"	649.155163	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M-H+Cl"	33.962126
"546517"	965.242213	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M-H+Cl"	33.962126
"937842"	333.068113	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-H+Cl"	33.962126
"272390"	1299.317602	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+Cl"	34.969402
"669916"	1931.491702	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+Cl"	34.969402
"1280132"	667.143502	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Cl"	34.969402
"19407"	1301.296806	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M-2H+K"	36.948606
"463340"	1933.470906	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M-2H+K"	36.948606
"838953"	669.122706	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-2H+K"	36.948606
"1564627"	669.122706	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+K-2H"	36.948606
"947768"	677.172294	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-H+HCOOH"	44.998194
"366351"	1309.346401	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+HCOOH-H"	44.998201
"351326"	1323.362051	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+Hac-H"	59.013851
"1496888"	691.187951	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Hac-H"	59.013851
"963336"	699.154251	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-H+NaCOOH"	66.980151
"111758"	667.143502	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+2Cl"	69.938804
"557272"	983.230552	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+2Cl"	69.938804
"1022793"	351.056452	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2Cl"	69.938804
"1244561"	711.092985	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Br"	78.918885
"1305915"	713.148972	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Cl+HCOOH"	80.974872
"1323410"	735.130929	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Cl+NaCOOH"	102.956829
"918845"	745.159686	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M-H+CF3COOH"	112.985586
"1298840"	781.136364	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Cl+CF3COOH"	148.962264
"1373719"	597.161424	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H-2H2O"	-35.012676
"1394496"	615.1714	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H-H2O"	-17.0027
"287620"	1265.355476	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+H"	1.007276
"686603"	1897.529576	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+H"	1.007276
"1366855"	633.181376	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H"	1.007276
"139498"	633.181376	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+2H"	2.014552
"579422"	949.268426	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+2H"	2.014552
"1052104"	317.094326	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2H"	2.014552
"213198"	422.456676	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+3H"	3.021828
"658850"	633.181376	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+3H"	3.021828
"1178257"	211.731976	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+3H"	3.021828
"439639"	1282.382023	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+NH4"	18.033823
"800262"	1914.556123	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+NH4"	18.033823
"1693674"	650.207923	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+NH4"	18.033823
"341960"	641.6946495	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+H+NH4"	19.041099
"734384"	957.7816995	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+H+NH4"	19.041099
"1487109"	325.6075995	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H+NH4"	19.041099
"403603"	1287.337418	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+Na"	22.989218
"763503"	1919.511518	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+Na"	22.989218
"1613791"	655.163318	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Na"	22.989218
"326382"	644.172347	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+H+Na"	23.996494
"712972"	960.259397	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+H+Na"	23.996494
"1468977"	328.085297	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H+Na"	23.996494
"1056389"	219.05929	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2H+Na"	25.00377
"1262077"	665.207586	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+CH3OH+H"	33.033486
"381380"	1303.311358	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+K"	38.963158
"744563"	1935.485458	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+K"	38.963158
"1546616"	671.137258	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+K"	38.963158
"302698"	652.159317	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+H+K"	39.970434
"696216"	968.246367	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+H+K"	39.970434
"1448945"	336.072267	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H+K"	39.970434
"237547"	1306.382026	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+ACN+H"	42.033826
"1212442"	674.207926	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+ACN+H"	42.033826
"1196325"	337.607601	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+ACN+2H"	43.041102
"196854"	1309.31936	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+2Na-H"	44.97116
"631667"	1941.49346	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+2Na-H"	44.97116
"1138827"	677.14526	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2Na-H"	44.97116
"178839"	655.163318	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+2Na"	45.978436
"617670"	971.250368	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+2Na"	45.978436
"1126283"	339.076268	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2Na"	45.978436
"1399357"	226.386604	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H+2Na"	46.985712
"1434267"	679.186846	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H+HCOOH"	47.012746
"231616"	660.19634	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+3H2O+2H"	56.04448
"1514212"	693.23889	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+IsoProp+H"	61.06479
"417180"	663.150288	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+Na+K"	61.952376
"779269"	979.237338	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+Na+K"	61.952376
"1670133"	347.063238	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Na+K"	61.952376
"256652"	1328.363968	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+ACN+Na"	64.015768
"1230454"	696.189868	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+ACN+Na"	64.015768
"1715692"	696.213393	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+NH4+HCOOH"	64.039293
"1178937"	233.713918	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+3Na"	68.967654
"1651303"	701.168788	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Na+HCOOH"	68.994688
"157310"	1341.26724	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+2K-H"	76.91904
"603198"	1973.44134	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+2K-H"	76.91904
"1086616"	709.09314	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2K-H"	76.91904
"141481"	671.137258	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"2M+2K"	77.926316
"589559"	987.224308	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"3M+2K"	77.926316
"1069816"	355.050208	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2K"	77.926316
"1101811"	711.107692	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2K+H"	78.933592
"1337100"	711.195307	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+DMSO+H"	79.021207
"1008911"	715.234476	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2ACN+H"	83.060376
"1525818"	716.228108	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+IsoProp+Na+H"	84.054008
"1003333"	358.120876	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+2ACN+2H"	84.067652
"1597833"	717.142728	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+K+HCOOH"	84.968628
"1421307"	747.174238	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+H+CF3COOH"	115.000138
"1158156"	378.634151	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+3ACN+2H"	125.094202
"1705521"	764.200785	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+NH4+CF3COOH"	132.026685
"1643357"	769.15618	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+Na+CF3COOH"	136.98208
"1577914"	785.13012	"C20976"	"8-Demethyl-8-(23-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C30H32O15"	"632.1741"	"M+K+CF3COOH"	152.95602
"808279"	646.1898	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M"	0
"975614"	627.17141	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-H2O-H"	-19.01839
"75525"	429.785924	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M-3H"	-3.021828
"513991"	645.182524	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M-3H"	-3.021828
"892893"	214.389324	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-3H"	-3.021828
"15401"	645.182524	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M-2H"	-2.014552
"454837"	968.277424	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M-2H"	-2.014552
"827735"	322.087624	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-2H"	-2.014552
"91008"	1291.372324	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M-H"	-1.007276
"530570"	1937.562124	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M-H"	-1.007276
"905091"	645.182524	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-H"	-1.007276
"57279"	1308.398871	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M-2H+NH4"	16.019271
"495747"	1954.588671	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M-2H+NH4"	16.019271
"874644"	662.209071	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-2H+NH4"	16.019271
"43638"	1313.354266	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M-2H+Na"	20.974666
"475542"	1959.544066	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M-2H+Na"	20.974666
"853344"	667.164466	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-2H+Na"	20.974666
"1619592"	667.164466	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Na-2H"	20.974666
"109010"	663.170863	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M-H+Cl"	33.962126
"547721"	986.265763	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M-H+Cl"	33.962126
"937952"	340.075963	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-H+Cl"	33.962126
"276509"	1327.349002	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+Cl"	34.969402
"667839"	1973.538802	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+Cl"	34.969402
"1277325"	681.159202	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Cl"	34.969402
"19516"	1329.328206	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M-2H+K"	36.948606
"461260"	1975.518006	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M-2H+K"	36.948606
"837967"	683.138406	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-2H+K"	36.948606
"1564736"	683.138406	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+K-2H"	36.948606
"946054"	691.187994	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-H+HCOOH"	44.998194
"367554"	1337.377801	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+HCOOH-H"	44.998201
"350707"	1351.393451	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+Hac-H"	59.013851
"1495904"	705.203651	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Hac-H"	59.013851
"963445"	713.169951	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-H+NaCOOH"	66.980151
"113448"	681.159202	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+2Cl"	69.938804
"556288"	1004.254102	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+2Cl"	69.938804
"1029463"	358.064302	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2Cl"	69.938804
"1246858"	725.108685	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Br"	78.918885
"1316959"	727.164672	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Cl+HCOOH"	80.974872
"1322425"	749.146629	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Cl+NaCOOH"	102.956829
"922235"	759.175386	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M-H+CF3COOH"	112.985586
"1301136"	795.152064	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Cl+CF3COOH"	148.962264
"1379296"	611.177124	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H-2H2O"	-35.012676
"1397522"	629.1871	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H-H2O"	-17.0027
"288823"	1293.386876	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+H"	1.007276
"686713"	1939.576676	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+H"	1.007276
"1365989"	647.197076	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H"	1.007276
"139973"	647.197076	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+2H"	2.014552
"580505"	970.291976	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+2H"	2.014552
"1051970"	324.102176	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2H"	2.014552
"213307"	431.800476	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+3H"	3.021828
"656149"	647.197076	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+3H"	3.021828
"1178443"	216.403876	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+3H"	3.021828
"439749"	1310.413423	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+NH4"	18.033823
"800250"	1956.603223	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+NH4"	18.033823
"1693783"	664.223623	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+NH4"	18.033823
"345111"	655.7103495	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+H+NH4"	19.041099
"736317"	978.8052495	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+H+NH4"	19.041099
"1489408"	332.6154495	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H+NH4"	19.041099
"404806"	1315.368818	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+Na"	22.989218
"762520"	1961.558618	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+Na"	22.989218
"1613901"	669.179018	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Na"	22.989218
"327584"	658.188047	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+H+Na"	23.996494
"714175"	981.282947	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+H+Na"	23.996494
"1466901"	335.093147	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H+Na"	23.996494
"1059051"	223.73119	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2H+Na"	25.00377
"1260000"	679.223286	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+CH3OH+H"	33.033486
"380397"	1331.342758	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+K"	38.963158
"745766"	1977.532558	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+K"	38.963158
"1546726"	685.152958	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+K"	38.963158
"304995"	666.175017	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+H+K"	39.970434
"696327"	989.269917	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+H+K"	39.970434
"1446867"	343.080117	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H+K"	39.970434
"238751"	1334.413426	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+ACN+H"	42.033826
"1211092"	688.223626	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+ACN+H"	42.033826
"1196437"	344.615451	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+ACN+2H"	43.041102
"198057"	1337.35076	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+2Na-H"	44.97116
"630687"	1983.54056	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+2Na-H"	44.97116
"1138937"	691.16096	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2Na-H"	44.97116
"183323"	669.179018	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+2Na"	45.978436
"618509"	992.273918	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+2Na"	45.978436
"1125301"	346.084118	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2Na"	45.978436
"1405544"	231.058504	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H+2Na"	46.985712
"1438752"	693.202546	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H+HCOOH"	47.012746
"231726"	674.21204	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+3H2O+2H"	56.04448
"1521975"	707.25459	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+IsoProp+H"	61.06479
"418383"	677.165988	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+Na+K"	61.952376
"782658"	1000.260888	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+Na+K"	61.952376
"1676803"	354.071088	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Na+K"	61.952376
"262229"	1356.395368	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+ACN+Na"	64.015768
"1231657"	710.205568	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+ACN+Na"	64.015768
"1719450"	710.229093	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+NH4+HCOOH"	64.039293
"1181157"	238.385818	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+3Na"	68.967654
"1651417"	715.184488	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Na+HCOOH"	68.994688
"158760"	1369.29864	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+2K-H"	76.91904
"603308"	2015.48844	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+2K-H"	76.91904
"1084540"	723.10884	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2K-H"	76.91904
"142685"	685.152958	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"2M+2K"	77.926316
"585293"	1008.247858	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"3M+2K"	77.926316
"1069806"	362.058058	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2K"	77.926316
"1101921"	725.123392	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2K+H"	78.933592
"1338303"	725.211007	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+DMSO+H"	79.021207
"1007928"	729.250176	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2ACN+H"	83.060376
"1527144"	730.243808	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+IsoProp+Na+H"	84.054008
"1002350"	365.128726	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+2ACN+2H"	84.067652
"1596850"	731.158428	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+K+HCOOH"	84.968628
"1421417"	761.189938	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+H+CF3COOH"	115.000138
"1158266"	385.642001	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+3ACN+2H"	125.094202
"1705631"	778.216485	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+NH4+CF3COOH"	132.026685
"1643467"	783.17188	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+Na+CF3COOH"	136.98208
"1578024"	799.14582	"C20977"	"8-Demethyl-8-(234-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C"	"C31H34O15"	"646.1898"	"M+K+CF3COOH"	152.95602
"808389"	308.1584	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M"	0
"978640"	289.14001	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-H2O-H"	-19.01839
"76728"	204.431657333333	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M-3H"	-3.021828
"513008"	307.151124	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M-3H"	-3.021828
"887536"	101.712190666667	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-3H"	-3.021828
"11577"	307.151124	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H"	-2.014552
"447855"	461.230324	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H"	-2.014552
"827845"	153.071924	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-2H"	-2.014552
"90023"	615.309524	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M-H"	-1.007276
"529587"	923.467924	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M-H"	-1.007276
"901556"	307.151124	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-H"	-1.007276
"54473"	632.336071	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H+NH4"	16.019271
"494035"	940.494471	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H+NH4"	16.019271
"871472"	324.177671	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-2H+NH4"	16.019271
"36093"	637.291466	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H+Na"	20.974666
"482213"	945.449866	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H+Na"	20.974666
"852725"	329.133066	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-2H+Na"	20.974666
"1622257"	329.133066	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Na-2H"	20.974666
"101703"	325.139463	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M-H+Cl"	33.962126
"536889"	479.218663	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M-H+Cl"	33.962126
"938062"	171.060263	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-H+Cl"	33.962126
"275526"	651.286202	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+Cl"	34.969402
"669042"	959.444602	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+Cl"	34.969402
"1276706"	343.127802	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl"	34.969402
"17439"	653.265406	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M-2H+K"	36.948606
"459185"	961.423806	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M-2H+K"	36.948606
"835525"	345.107006	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-2H+K"	36.948606
"1559379"	345.107006	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+K-2H"	36.948606
"946892"	353.156594	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-H+HCOOH"	44.998194
"363292"	661.315001	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+HCOOH-H"	44.998201
"348267"	675.330651	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+Hac-H"	59.013851
"1496014"	367.172251	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Hac-H"	59.013851
"967929"	375.138551	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-H+NaCOOH"	66.980151
"113558"	343.127802	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+2Cl"	69.938804
"561501"	497.207002	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+2Cl"	69.938804
"1032853"	189.048602	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2Cl"	69.938804
"1249154"	387.077285	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Br"	78.918885
"1318162"	389.133272	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl+HCOOH"	80.974872
"1325815"	411.115229	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl+NaCOOH"	102.956829
"924531"	421.143986	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M-H+CF3COOH"	112.985586
"1296872"	457.120664	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Cl+CF3COOH"	148.962264
"1376126"	273.145724	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H-2H2O"	-35.012676
"1392528"	291.1557	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H-H2O"	-17.0027
"288933"	617.324076	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+H"	1.007276
"680260"	925.482476	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+H"	1.007276
"1365004"	309.165676	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H"	1.007276
"140082"	309.165676	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+2H"	2.014552
"580007"	463.244876	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+2H"	2.014552
"1047705"	155.086476	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2H"	2.014552
"212324"	206.446209333333	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+3H"	3.021828
"655165"	309.165676	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+3H"	3.021828
"1178245"	103.726742666667	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+3H"	3.021828
"439936"	634.350623	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+NH4"	18.033823
"797562"	942.509023	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+NH4"	18.033823
"1693893"	326.192223	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+NH4"	18.033823
"342547"	317.6789495	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+H+NH4"	19.041099
"729137"	471.7581495	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+H+NH4"	19.041099
"1486237"	163.5997495	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H+NH4"	19.041099
"403821"	639.306018	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+Na"	22.989218
"759350"	947.464418	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+Na"	22.989218
"1608544"	331.147618	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Na"	22.989218
"322954"	320.156647	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+H+Na"	23.996494
"713189"	474.235847	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+H+Na"	23.996494
"1468101"	166.077447	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H+Na"	23.996494
"1057702"	111.054056666667	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2H+Na"	25.00377
"1258529"	341.191886	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+CH3OH+H"	33.033486
"377587"	655.279958	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+K"	38.963158
"742596"	963.438358	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+K"	38.963158
"1540757"	347.121558	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+K"	38.963158
"300364"	328.143617	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+H+K"	39.970434
"696801"	482.222817	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+H+K"	39.970434
"1449165"	174.064417	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H+K"	39.970434
"240318"	658.350626	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+ACN+H"	42.033826
"1211929"	350.192226	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+ACN+H"	42.033826
"1198734"	175.599751	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+ACN+2H"	43.041102
"198167"	661.28796	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+2Na-H"	44.97116
"630674"	969.44636	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+2Na-H"	44.97116
"1139047"	353.12956	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2Na-H"	44.97116
"177965"	331.147618	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+2Na"	45.978436
"619712"	485.226818	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+2Na"	45.978436
"1127597"	177.068418	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2Na"	45.978436
"1406748"	118.381370666667	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H+2Na"	46.985712
"1436675"	355.171146	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H+HCOOH"	47.012746
"231836"	336.18064	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+3H2O+2H"	56.04448
"1518805"	369.22319	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+IsoProp+H"	61.06479
"418493"	339.134588	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+Na+K"	61.952376
"780580"	493.213788	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+Na+K"	61.952376
"1678735"	185.055388	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Na+K"	61.952376
"262339"	680.332568	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+ACN+Na"	64.015768
"1231767"	372.174168	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+ACN+Na"	64.015768
"1718467"	372.197693	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+NH4+HCOOH"	64.039293
"1179442"	125.708684666667	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+3Na"	68.967654
"1651891"	377.153088	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Na+HCOOH"	68.994688
"159112"	693.23584	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+2K-H"	76.91904
"604511"	1001.39424	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+2K-H"	76.91904
"1085619"	385.07744	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2K-H"	76.91904
"143038"	347.121558	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"2M+2K"	77.926316
"585403"	501.200758	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"3M+2K"	77.926316
"1072102"	193.042358	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2K"	77.926316
"1102270"	387.091992	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2K+H"	78.933592
"1337195"	387.179607	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+DMSO+H"	79.021207
"1006075"	391.218776	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2ACN+H"	83.060376
"1527254"	392.212408	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+IsoProp+Na+H"	84.054008
"1002460"	196.113026	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+2ACN+2H"	84.067652
"1598053"	393.127028	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+K+HCOOH"	84.968628
"1421527"	423.158538	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+H+CF3COOH"	115.000138
"1155096"	216.626301	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+3ACN+2H"	125.094202
"1705741"	440.185085	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+NH4+CF3COOH"	132.026685
"1643577"	445.14048	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+Na+CF3COOH"	136.98208
"1578134"	461.11442	"C20978"	"Glucoselysine"	"C12H24N2O7"	"308.1584"	"M+K+CF3COOH"	152.95602
"808499"	388.1247	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M"	0
"978750"	369.10631	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H2O-H"	-19.01839
"74652"	257.742524	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-3H"	-3.021828
"515305"	387.117424	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-3H"	-3.021828
"887646"	128.367624	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-3H"	-3.021828
"12780"	387.117424	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H"	-2.014552
"445779"	581.179774	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H"	-2.014552
"827955"	193.055074	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H"	-2.014552
"89041"	775.242124	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-H"	-1.007276
"529697"	1163.366824	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-H"	-1.007276
"900574"	387.117424	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H"	-1.007276
"55313"	792.268671	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H+NH4"	16.019271
"493052"	1180.393371	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H+NH4"	16.019271
"873771"	404.143971	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H+NH4"	16.019271
"38755"	797.224066	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H+Na"	20.974666
"482323"	1185.348766	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H+Na"	20.974666
"856845"	409.099366	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H+Na"	20.974666
"1622003"	409.099366	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na-2H"	20.974666
"101813"	405.105763	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-H+Cl"	33.962126
"540279"	599.168113	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-H+Cl"	33.962126
"939995"	211.043413	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+Cl"	33.962126
"277823"	811.218802	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Cl"	34.969402
"665872"	1199.343502	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+Cl"	34.969402
"1279368"	423.094102	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl"	34.969402
"19737"	813.198006	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M-2H+K"	36.948606
"459295"	1201.322706	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M-2H+K"	36.948606
"835635"	425.073306	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-2H+K"	36.948606
"1558028"	425.073306	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K-2H"	36.948606
"944451"	433.122894	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+HCOOH"	44.998194
"362667"	821.247601	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+HCOOH-H"	44.998201
"345718"	835.263251	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Hac-H"	59.013851
"1495029"	447.138551	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Hac-H"	59.013851
"963664"	455.104851	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+NaCOOH"	66.980151
"116947"	423.094102	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2Cl"	69.938804
"557600"	617.156452	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2Cl"	69.938804
"1032963"	229.031752	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2Cl"	69.938804
"1249264"	467.043585	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Br"	78.918885
"1309524"	469.099572	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl+HCOOH"	80.974872
"1324832"	491.081529	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl+NaCOOH"	102.956829
"914070"	501.110286	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M-H+CF3COOH"	112.985586
"1299169"	537.086964	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Cl+CF3COOH"	148.962264
"1376236"	353.112024	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H-2H2O"	-35.012676
"1392638"	371.122	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H-H2O"	-17.0027
"287950"	777.256676	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H"	1.007276
"678183"	1165.381376	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H"	1.007276
"1365478"	389.131976	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H"	1.007276
"140922"	389.131976	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2H"	2.014552
"579384"	583.194326	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2H"	2.014552
"1044535"	195.069626	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2H"	2.014552
"210248"	259.757076	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+3H"	3.021828
"653089"	389.131976	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+3H"	3.021828
"1177665"	130.382176	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+3H"	3.021828
"438499"	794.283223	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+NH4"	18.033823
"798768"	1182.407923	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+NH4"	18.033823
"1694003"	406.158523	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+NH4"	18.033823
"339012"	397.6452495	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H+NH4"	19.041099
"728154"	591.7075995	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H+NH4"	19.041099
"1485254"	203.5828995	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+NH4"	19.041099
"400653"	799.238618	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Na"	22.989218
"763835"	1187.363318	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+Na"	22.989218
"1611935"	411.113918	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na"	22.989218
"319786"	400.122947	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H+Na"	23.996494
"714392"	594.185297	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H+Na"	23.996494
"1466026"	206.060597	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+Na"	23.996494
"1058178"	137.70949	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2H+Na"	25.00377
"1259856"	421.158186	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+CH3OH+H"	33.033486
"377534"	815.212558	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+K"	38.963158
"738973"	1203.337258	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+K"	38.963158
"1545853"	427.087858	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K"	38.963158
"301933"	408.109917	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+H+K"	39.970434
"699098"	602.172267	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+H+K"	39.970434
"1451463"	214.047567	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+K"	39.970434
"243345"	818.283226	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+ACN+H"	42.033826
"1211675"	430.158526	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+ACN+H"	42.033826
"1197753"	215.582901	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+ACN+2H"	43.041102
"198277"	821.22056	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2Na-H"	44.97116
"630178"	1209.34526	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2Na-H"	44.97116
"1139157"	433.09586	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2Na-H"	44.97116
"178075"	411.113918	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2Na"	45.978436
"626389"	605.176268	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2Na"	45.978436
"1127708"	217.051568	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2Na"	45.978436
"1407951"	145.036804	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+2Na"	46.985712
"1437878"	435.137446	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+HCOOH"	47.012746
"226480"	416.14694	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+3H2O+2H"	56.04448
"1516728"	449.18949	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+IsoProp+H"	61.06479
"416415"	419.100888	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+Na+K"	61.952376
"779601"	613.163238	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+Na+K"	61.952376
"1674837"	225.038538	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na+K"	61.952376
"260262"	840.265168	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+ACN+Na"	64.015768
"1229693"	452.140468	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+ACN+Na"	64.015768
"1716392"	452.163993	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+NH4+HCOOH"	64.039293
"1183933"	152.364118	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+3Na"	68.967654
"1653825"	457.119388	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na+HCOOH"	68.994688
"158740"	853.16844	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2K-H"	76.91904
"599154"	1241.29314	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2K-H"	76.91904
"1085852"	465.04374	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2K-H"	76.91904
"142054"	427.087858	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"2M+2K"	77.926316
"587702"	621.150208	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"3M+2K"	77.926316
"1071118"	233.025508	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2K"	77.926316
"1105419"	467.058292	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2K+H"	78.933592
"1338522"	467.145907	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+DMSO+H"	79.021207
"1005638"	471.185076	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2ACN+H"	83.060376
"1524932"	472.178708	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+IsoProp+Na+H"	84.054008
"1002570"	236.096176	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+2ACN+2H"	84.067652
"1599258"	473.093328	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K+HCOOH"	84.968628
"1427835"	503.124838	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+H+CF3COOH"	115.000138
"1158487"	256.609451	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+3ACN+2H"	125.094202
"1705851"	520.151385	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+NH4+CF3COOH"	132.026685
"1643687"	525.10678	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+Na+CF3COOH"	136.98208
"1578244"	541.08072	"C20979"	"Glucoselysine-6-phosphate"	"C12H25N2O10P"	"388.1247"	"M+K+CF3COOH"	152.95602
"808609"	216.0786	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M"	0
"982140"	197.06021	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-H2O-H"	-19.01839
"76585"	143.045124	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M-3H"	-3.021828
"515415"	215.071324	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M-3H"	-3.021828
"885561"	71.018924	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-3H"	-3.021828
"12890"	215.071324	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M-2H"	-2.014552
"445889"	323.110624	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M-2H"	-2.014552
"829159"	107.032024	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-2H"	-2.014552
"89150"	431.149924	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M-H"	-1.007276
"525433"	647.228524	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M-H"	-1.007276
"903237"	215.071324	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-H"	-1.007276
"58703"	448.176471	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M-2H+NH4"	16.019271
"494985"	664.255071	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M-2H+NH4"	16.019271
"876067"	232.097871	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-2H+NH4"	16.019271
"41782"	453.131866	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M-2H+Na"	20.974666
"483527"	669.210466	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M-2H+Na"	20.974666
"858049"	237.053266	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-2H+Na"	20.974666
"1621384"	237.053266	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Na-2H"	20.974666
"100830"	233.059663	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M-H+Cl"	33.962126
"539296"	341.098963	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M-H+Cl"	33.962126
"938283"	125.020363	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-H+Cl"	33.962126
"277933"	467.126602	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+Cl"	34.969402
"668169"	683.205202	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+Cl"	34.969402
"1279478"	251.048002	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Cl"	34.969402
"22034"	469.105806	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M-2H+K"	36.948606
"458676"	685.184406	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M-2H+K"	36.948606
"837206"	253.027206	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-2H+K"	36.948606
"1558507"	253.027206	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+K-2H"	36.948606
"943507"	261.076794	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-H+HCOOH"	44.998194
"361520"	477.155401	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+HCOOH-H"	44.998201
"347024"	491.171051	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+Hac-H"	59.013851
"1500606"	275.092451	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Hac-H"	59.013851
"969241"	283.058751	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-H+NaCOOH"	66.980151
"119244"	251.048002	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+2Cl"	69.938804
"560991"	359.087302	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+2Cl"	69.938804
"1031979"	143.008702	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2Cl"	69.938804
"1248281"	294.997485	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Br"	78.918885
"1310728"	297.053472	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Cl+HCOOH"	80.974872
"1327129"	319.035429	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Cl+NaCOOH"	102.956829
"919283"	329.064186	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M-H+CF3COOH"	112.985586
"1299279"	365.040864	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Cl+CF3COOH"	148.962264
"1377440"	181.065924	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H-2H2O"	-35.012676
"1391655"	199.0759	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H-H2O"	-17.0027
"290247"	433.164476	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+H"	1.007276
"682667"	649.243076	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+H"	1.007276
"1365587"	217.085876	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H"	1.007276
"140545"	217.085876	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+2H"	2.014552
"579133"	325.125176	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+2H"	2.014552
"1044645"	109.046576	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2H"	2.014552
"209265"	145.059676	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+3H"	3.021828
"653199"	217.085876	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+3H"	3.021828
"1176804"	73.033476	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+3H"	3.021828
"438852"	450.191023	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+NH4"	18.033823
"796691"	666.269623	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+NH4"	18.033823
"1691928"	234.112423	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+NH4"	18.033823
"338758"	225.5991495	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+H+NH4"	19.041099
"728264"	333.6384495	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+H+NH4"	19.041099
"1485364"	117.5598495	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H+NH4"	19.041099
"401856"	455.146418	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+Na"	22.989218
"765038"	671.225018	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+Na"	22.989218
"1612045"	239.067818	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Na"	22.989218
"323175"	228.076847	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+H+Na"	23.996494
"714503"	336.116147	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+H+Na"	23.996494
"1467230"	120.037547	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H+Na"	23.996494
"1057559"	80.36079	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2H+Na"	25.00377
"1259965"	249.112086	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+CH3OH+H"	33.033486
"379269"	471.120358	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+K"	38.963158
"740264"	687.198958	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+K"	38.963158
"1543047"	255.041758	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+K"	38.963158
"304595"	236.063817	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+H+K"	39.970434
"696657"	344.103117	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+H+K"	39.970434
"1449387"	128.024517	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H+K"	39.970434
"241268"	474.191026	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+ACN+H"	42.033826
"1212880"	258.112426	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+ACN+H"	42.033826
"1198955"	129.559851	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+ACN+2H"	43.041102
"197294"	477.12836	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+2Na-H"	44.97116
"630290"	693.20696	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+2Na-H"	44.97116
"1131600"	261.04976	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2Na-H"	44.97116
"181465"	239.067818	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+2Na"	45.978436
"618844"	347.107118	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+2Na"	45.978436
"1117976"	131.028518	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2Na"	45.978436
"1399435"	87.688104	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H+2Na"	46.985712
"1430940"	263.091346	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H+HCOOH"	47.012746
"221487"	244.10084	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+3H2O+2H"	56.04448
"1508856"	277.14339	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+IsoProp+H"	61.06479
"413245"	247.054788	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+Na+K"	61.952376
"772057"	355.094088	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+Na+K"	61.952376
"1671667"	139.015488	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Na+K"	61.952376
"255999"	496.172968	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+ACN+Na"	64.015768
"1227616"	280.094368	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+ACN+Na"	64.015768
"1713582"	280.117893	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+NH4+HCOOH"	64.039293
"1184043"	95.015418	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+3Na"	68.967654
"1653935"	285.073288	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Na+HCOOH"	68.994688
"157512"	509.07624	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+2K-H"	76.91904
"597924"	725.15484	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+2K-H"	76.91904
"1085232"	292.99764	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2K-H"	76.91904
"141626"	255.041758	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"2M+2K"	77.926316
"588906"	363.081058	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"3M+2K"	77.926316
"1073415"	147.002458	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2K"	77.926316
"1104436"	295.012192	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2K+H"	78.933592
"1336198"	295.099807	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+DMSO+H"	79.021207
"1005654"	299.138976	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2ACN+H"	83.060376
"1524364"	300.132608	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+IsoProp+Na+H"	84.054008
"1003773"	150.073126	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+2ACN+2H"	84.067652
"1598275"	301.047228	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+K+HCOOH"	84.968628
"1427216"	331.078738	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+H+CF3COOH"	115.000138
"1155317"	170.586401	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+3ACN+2H"	125.094202
"1707055"	348.105285	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+NH4+CF3COOH"	132.026685
"1642704"	353.06068	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+Na+CF3COOH"	136.98208
"1578354"	369.03462	"C20980"	"3-Methoxy-5-methyl-1-naphthoate"	"C13H12O3"	"216.0786"	"M+K+CF3COOH"	152.95602
"808719"	226.0742	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M"	0
"982250"	207.05581	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-H2O-H"	-19.01839
"75965"	149.708857333333	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M-3H"	-3.021828
"515525"	225.066924	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M-3H"	-3.021828
"891138"	74.3507906666667	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-3H"	-3.021828
"9720"	225.066924	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M-2H"	-2.014552
"445999"	338.104024	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M-2H"	-2.014552
"828175"	112.029824	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-2H"	-2.014552
"89260"	451.141124	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M-H"	-1.007276
"524450"	677.215324	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M-H"	-1.007276
"903347"	225.066924	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-H"	-1.007276
"57720"	468.167671	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M-2H+NH4"	16.019271
"493272"	694.241871	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M-2H+NH4"	16.019271
"872897"	242.093471	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-2H+NH4"	16.019271
"42984"	473.123066	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M-2H+Na"	20.974666
"484367"	699.197266	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M-2H+Na"	20.974666
"857065"	247.048866	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-2H+Na"	20.974666
"1621858"	247.048866	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Na-2H"	20.974666
"100940"	243.055263	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M-H+Cl"	33.962126
"539406"	356.092363	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M-H+Cl"	33.962126
"931828"	130.018163	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-H+Cl"	33.962126
"275856"	487.117802	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+Cl"	34.969402
"662812"	713.192002	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+Cl"	34.969402
"1278495"	261.043602	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Cl"	34.969402
"17770"	489.097006	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M-2H+K"	36.948606
"456964"	715.171206	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M-2H+K"	36.948606
"839503"	263.022806	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-2H+K"	36.948606
"1558617"	263.022806	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+K-2H"	36.948606
"945765"	271.072394	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-H+HCOOH"	44.998194
"362157"	497.146601	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+HCOOH-H"	44.998201
"346401"	511.162251	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+Hac-H"	59.013851
"1500716"	285.088051	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Hac-H"	59.013851
"969351"	293.054351	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-H+NaCOOH"	66.980151
"122270"	261.043602	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+2Cl"	69.938804
"561101"	374.080702	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+2Cl"	69.938804
"1029902"	148.006502	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2Cl"	69.938804
"1251670"	304.993085	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Br"	78.918885
"1314118"	307.049072	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Cl+HCOOH"	80.974872
"1326145"	329.031029	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Cl+NaCOOH"	102.956829
"918298"	339.059786	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M-H+CF3COOH"	112.985586
"1301943"	375.036464	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Cl+CF3COOH"	148.962264
"1378644"	191.061524	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H-2H2O"	-35.012676
"1391765"	209.0715	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H-H2O"	-17.0027
"292544"	453.155676	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+H"	1.007276
"686057"	679.229876	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+H"	1.007276
"1365331"	227.081476	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H"	1.007276
"139927"	227.081476	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+2H"	2.014552
"580983"	340.118576	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+2H"	2.014552
"1044755"	114.044376	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2H"	2.014552
"212655"	151.723409333333	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+3H"	3.021828
"656589"	227.081476	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+3H"	3.021828
"1177885"	76.3653426666667	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+3H"	3.021828
"439084"	470.182223	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+NH4"	18.033823
"793521"	696.256423	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+NH4"	18.033823
"1693131"	244.108023	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+NH4"	18.033823
"338139"	235.5947495	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+H+NH4"	19.041099
"732748"	348.6318495	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+H+NH4"	19.041099
"1486567"	122.5576495	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H+NH4"	19.041099
"403060"	475.137618	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+Na"	22.989218
"765148"	701.211818	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+Na"	22.989218
"1607781"	249.063418	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Na"	22.989218
"324014"	238.072447	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+H+Na"	23.996494
"713520"	351.109547	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+H+Na"	23.996494
"1464424"	125.035347	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H+Na"	23.996494
"1054022"	83.6926566666667	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2H+Na"	25.00377
"1257354"	259.107686	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+CH3OH+H"	33.033486
"377791"	491.111558	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+K"	38.963158
"739271"	717.185758	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+K"	38.963158
"1540360"	265.037358	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+K"	38.963158
"299237"	246.059417	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+H+K"	39.970434
"694579"	359.096517	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+H+K"	39.970434
"1450224"	133.022317	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H+K"	39.970434
"240646"	494.182226	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+ACN+H"	42.033826
"1212990"	268.108026	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+ACN+H"	42.033826
"1197605"	134.557651	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+ACN+2H"	43.041102
"192301"	497.11956	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+2Na-H"	44.97116
"629425"	723.19376	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+2Na-H"	44.97116
"1132194"	271.04536	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2Na-H"	44.97116
"178659"	249.063418	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+2Na"	45.978436
"619682"	362.100518	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+2Na"	45.978436
"1118086"	136.026318	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2Na"	45.978436
"1398571"	91.0199706666667	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H+2Na"	46.985712
"1430006"	273.086946	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H+HCOOH"	47.012746
"221961"	254.09644	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+3H2O+2H"	56.04448
"1508929"	287.13899	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+IsoProp+H"	61.06479
"415542"	257.050388	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+Na+K"	61.952376
"772167"	370.087488	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+Na+K"	61.952376
"1670685"	144.013288	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Na+K"	61.952376
"256109"	516.164168	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+ACN+Na"	64.015768
"1227726"	290.089968	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+ACN+Na"	64.015768
"1714425"	290.113493	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+NH4+HCOOH"	64.039293
"1184153"	98.3472846666667	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+3Na"	68.967654
"1650229"	295.068888	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Na+HCOOH"	68.994688
"157740"	529.06744	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+2K-H"	76.91904
"598276"	755.14164	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+2K-H"	76.91904
"1085342"	302.99324	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2K-H"	76.91904
"141776"	265.037358	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"2M+2K"	77.926316
"587193"	378.074458	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"3M+2K"	77.926316
"1071339"	152.000258	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2K"	77.926316
"1104546"	305.007792	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2K+H"	78.933592
"1336187"	305.095407	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+DMSO+H"	79.021207
"1005838"	309.134576	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2ACN+H"	83.060376
"1524544"	310.128208	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+IsoProp+Na+H"	84.054008
"1000600"	155.070926	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+2ACN+2H"	84.067652
"1592916"	311.042828	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+K+HCOOH"	84.968628
"1419669"	341.074338	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+H+CF3COOH"	115.000138
"1153237"	175.584201	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+3ACN+2H"	125.094202
"1708258"	358.100885	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+NH4+CF3COOH"	132.026685
"1640627"	363.05628	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+Na+CF3COOH"	136.98208
"1578464"	379.03022	"C20981"	"510-Dihydrophenazine-1-carboxylate"	"C13H10N2O2"	"226.0742"	"M+K+CF3COOH"	152.95602
"814299"	294.1368	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M"	0
"987831"	275.11841	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-H2O-H"	-19.01839
"74986"	195.083924	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M-3H"	-3.021828
"515638"	293.129524	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M-3H"	-3.021828
"892347"	97.038324	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-3H"	-3.021828
"15534"	293.129524	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M-2H"	-2.014552
"454858"	440.197924	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M-2H"	-2.014552
"832711"	146.061124	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-2H"	-2.014552
"90464"	587.266324	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M-H"	-1.007276
"532217"	881.403124	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M-H"	-1.007276
"910017"	293.129524	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-H"	-1.007276
"58928"	604.292871	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M-2H+NH4"	16.019271
"502218"	898.429671	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M-2H+NH4"	16.019271
"874102"	310.156071	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-2H+NH4"	16.019271
"44189"	609.248266	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M-2H+Na"	20.974666
"483749"	903.385066	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M-2H+Na"	20.974666
"857177"	315.111466	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-2H+Na"	20.974666
"1624522"	315.111466	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Na-2H"	20.974666
"104335"	311.117863	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M-H+Cl"	33.962126
"546082"	458.186263	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M-H+Cl"	33.962126
"940324"	164.049463	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-H+Cl"	33.962126
"275969"	623.243002	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+Cl"	34.969402
"666203"	917.379802	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+Cl"	34.969402
"1277512"	329.106202	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Cl"	34.969402
"23348"	625.222206	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M-2H+K"	36.948606
"457804"	919.359006	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M-2H+K"	36.948606
"835238"	331.085406	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-2H+K"	36.948606
"1557998"	331.085406	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+K-2H"	36.948606
"943325"	339.134994	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-H+HCOOH"	44.998194
"361608"	633.271801	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+HCOOH-H"	44.998201
"346878"	647.287451	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+Hac-H"	59.013851
"1500826"	353.150651	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Hac-H"	59.013851
"965090"	361.116951	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-H+NaCOOH"	66.980151
"123841"	329.106202	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+2Cl"	69.938804
"562305"	476.174602	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+2Cl"	69.938804
"1033296"	182.037802	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2Cl"	69.938804
"1256887"	373.055685	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Br"	78.918885
"1316780"	375.111672	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Cl+HCOOH"	80.974872
"1332819"	397.093629	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Cl+NaCOOH"	102.956829
"923879"	407.122386	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M-H+CF3COOH"	112.985586
"1299501"	443.099064	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Cl+CF3COOH"	148.962264
"1382040"	259.124124	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H-2H2O"	-35.012676
"1397711"	277.1341	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H-H2O"	-17.0027
"297764"	589.280876	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+H"	1.007276
"689452"	883.417676	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+H"	1.007276
"1363616"	295.144076	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H"	1.007276
"138330"	295.144076	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+2H"	2.014552
"579348"	442.212476	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+2H"	2.014552
"1044865"	148.075676	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2H"	2.014552
"215681"	197.098476	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+3H"	3.021828
"658645"	295.144076	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+3H"	3.021828
"1175553"	99.052876	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+3H"	3.021828
"434815"	606.307423	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+NH4"	18.033823
"800800"	900.444223	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+NH4"	18.033823
"1696159"	312.170623	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+NH4"	18.033823
"336062"	303.6573495	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+H+NH4"	19.041099
"735044"	450.7257495	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+H+NH4"	19.041099
"1487770"	156.5889495	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H+NH4"	19.041099
"403170"	611.262818	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+Na"	22.989218
"765258"	905.399618	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+Na"	22.989218
"1612266"	317.126018	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Na"	22.989218
"322301"	306.135047	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+H+Na"	23.996494
"712537"	453.203447	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+H+Na"	23.996494
"1466357"	159.066647	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H+Na"	23.996494
"1056320"	106.38019	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2H+Na"	25.00377
"1259821"	327.170286	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+CH3OH+H"	33.033486
"379122"	627.236758	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+K"	38.963158
"743399"	921.373558	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+K"	38.963158
"1542171"	333.099958	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+K"	38.963158
"306639"	314.122017	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+H+K"	39.970434
"696146"	461.190417	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+H+K"	39.970434
"1453247"	167.053617	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H+K"	39.970434
"239663"	630.307426	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+ACN+H"	42.033826
"1211640"	336.170626	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+ACN+H"	42.033826
"1196985"	168.588951	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+ACN+2H"	43.041102
"192407"	633.24476	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+2Na-H"	44.97116
"630020"	927.38156	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+2Na-H"	44.97116
"1132672"	339.10796	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2Na-H"	44.97116
"178405"	317.126018	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+2Na"	45.978436
"619064"	464.194418	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+2Na"	45.978436
"1118195"	170.057618	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2Na"	45.978436
"1400626"	113.707504	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H+2Na"	46.985712
"1431646"	341.149546	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H+HCOOH"	47.012746
"220729"	322.15904	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+3H2O+2H"	56.04448
"1512318"	355.20159	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+IsoProp+H"	61.06479
"410547"	325.112988	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+Na+K"	61.952376
"773004"	472.181388	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+Na+K"	61.952376
"1670794"	178.044588	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Na+K"	61.952376
"256219"	652.289368	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+ACN+Na"	64.015768
"1227831"	358.152568	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+ACN+Na"	64.015768
"1716354"	358.176093	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+NH4+HCOOH"	64.039293
"1183170"	121.034818	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+3Na"	68.967654
"1650867"	363.131488	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Na+HCOOH"	68.994688
"157728"	665.19264	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+2K-H"	76.91904
"598873"	959.32944	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+2K-H"	76.91904
"1085817"	371.05584	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2K-H"	76.91904
"142387"	333.099958	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"2M+2K"	77.926316
"587302"	480.168358	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"3M+2K"	77.926316
"1072541"	186.031558	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2K"	77.926316
"1101496"	373.070392	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2K+H"	78.933592
"1335933"	373.158007	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+DMSO+H"	79.021207
"1010664"	377.197176	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2ACN+H"	83.060376
"1528791"	378.190808	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+IsoProp+Na+H"	84.054008
"997429"	189.102226	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+2ACN+2H"	84.067652
"1588285"	379.105428	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+K+HCOOH"	84.968628
"1418684"	409.136938	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+H+CF3COOH"	115.000138
"1152252"	209.615501	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+3ACN+2H"	125.094202
"1702900"	426.163485	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+NH4+CF3COOH"	132.026685
"1639642"	431.11888	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+Na+CF3COOH"	136.98208
"1578574"	447.09282	"C20982"	"9-(Dimethylallyl)-510-dihydrophenazine-1-carboxylate;Dihydroendophenazine A"	"C18H18N2O2"	"294.1368"	"M+K+CF3COOH"	152.95602
"808939"	249.1365	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M"	0
"980283"	230.11811	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-H2O-H"	-19.01839
"71815"	165.083724	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M-3H"	-3.021828
"511374"	248.129224	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M-3H"	-3.021828
"891363"	82.038224	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-3H"	-3.021828
"15602"	248.129224	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M-2H"	-2.014552
"450594"	372.697474	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M-2H"	-2.014552
"829490"	123.560974	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-2H"	-2.014552
"85107"	497.265724	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M-H"	-1.007276
"533297"	746.402224	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M-H"	-1.007276
"910493"	248.129224	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-H"	-1.007276
"62824"	514.292271	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M-2H+NH4"	16.019271
"502241"	763.428771	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M-2H+NH4"	16.019271
"879073"	265.155771	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-2H+NH4"	16.019271
"45758"	519.247666	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M-2H+Na"	20.974666
"486170"	768.384166	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M-2H+Na"	20.974666
"859476"	270.111166	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-2H+Na"	20.974666
"1630831"	270.111166	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Na-2H"	20.974666
"106632"	266.117563	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M-H+Cl"	33.962126
"547285"	390.685813	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M-H+Cl"	33.962126
"941530"	141.549313	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-H+Cl"	33.962126
"276079"	533.242402	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+Cl"	34.969402
"669593"	782.378902	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+Cl"	34.969402
"1283089"	284.105902	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Cl"	34.969402
"28926"	535.221606	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M-2H+K"	36.948606
"460831"	784.358106	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M-2H+K"	36.948606
"835352"	286.085106	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-2H+K"	36.948606
"1559930"	286.085106	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+K-2H"	36.948606
"945624"	294.134694	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-H+HCOOH"	44.998194
"362745"	543.271201	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+HCOOH-H"	44.998201
"346623"	557.286851	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+Hac-H"	59.013851
"1500936"	308.150351	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Hac-H"	59.013851
"968479"	316.116651	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-H+NaCOOH"	66.980151
"123587"	284.105902	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+2Cl"	69.938804
"562415"	408.674152	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+2Cl"	69.938804
"1035231"	159.537652	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2Cl"	69.938804
"1254806"	328.055385	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Br"	78.918885
"1314338"	330.111372	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Cl+HCOOH"	80.974872
"1331836"	352.093329	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Cl+NaCOOH"	102.956829
"923989"	362.122086	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M-H+CF3COOH"	112.985586
"1302165"	398.098764	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Cl+CF3COOH"	148.962264
"1381423"	214.123824	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H-2H2O"	-35.012676
"1396734"	232.1338	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H-H2O"	-17.0027
"296782"	499.280276	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+H"	1.007276
"688835"	748.416776	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+H"	1.007276
"1361540"	250.143776	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H"	1.007276
"135523"	250.143776	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+2H"	2.014552
"578002"	374.712026	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+2H"	2.014552
"1048255"	125.575526	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2H"	2.014552
"215063"	167.098276	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+3H"	3.021828
"658878"	250.143776	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+3H"	3.021828
"1174571"	84.052776	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+3H"	3.021828
"434925"	516.306823	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+NH4"	18.033823
"798849"	765.443323	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+NH4"	18.033823
"1694816"	267.170323	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+NH4"	18.033823
"338355"	258.6570495	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+H+NH4"	19.041099
"734061"	383.2252995	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+H+NH4"	19.041099
"1489703"	134.0887995	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H+NH4"	19.041099
"405466"	521.262218	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+Na"	22.989218
"764275"	770.398718	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+Na"	22.989218
"1614562"	272.125718	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Na"	22.989218
"325692"	261.134747	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+H+Na"	23.996494
"717022"	385.702997	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+H+Na"	23.996494
"1473028"	136.566497	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H+Na"	23.996494
"1058617"	91.38009	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2H+Na"	25.00377
"1266857"	282.169986	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+CH3OH+H"	33.033486
"383246"	537.236158	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+K"	38.963158
"744240"	786.372658	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+K"	38.963158
"1547387"	288.099658	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+K"	38.963158
"310029"	269.121717	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+H+K"	39.970434
"696988"	393.689967	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+H+K"	39.970434
"1451172"	144.553467	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H+K"	39.970434
"239409"	540.306826	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+ACN+H"	42.033826
"1213939"	291.170326	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+ACN+H"	42.033826
"1198190"	146.088801	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+ACN+2H"	43.041102
"192153"	543.24416	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+2Na-H"	44.97116
"629038"	792.38066	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+2Na-H"	44.97116
"1134117"	294.10766	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2Na-H"	44.97116
"180702"	272.125718	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+2Na"	45.978436
"624276"	396.693968	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+2Na"	45.978436
"1123773"	147.557468	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2Na"	45.978436
"1400737"	98.707404	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H+2Na"	46.985712
"1431758"	296.149246	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H+HCOOH"	47.012746
"229106"	277.15874	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+3H2O+2H"	56.04448
"1513158"	310.20129	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+IsoProp+H"	61.06479
"419043"	280.112688	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+Na+K"	61.952376
"777855"	404.680938	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+Na+K"	61.952376
"1673093"	155.544438	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Na+K"	61.952376
"261796"	562.288768	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+ACN+Na"	64.015768
"1231224"	313.152268	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+ACN+Na"	64.015768
"1720111"	313.175793	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+NH4+HCOOH"	64.039293
"1186561"	106.034718	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+3Na"	68.967654
"1654264"	318.131188	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Na+HCOOH"	68.994688
"165500"	575.19204	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+2K-H"	76.91904
"600686"	824.32854	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+2K-H"	76.91904
"1086293"	326.05554	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2K-H"	76.91904
"146389"	288.099658	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"2M+2K"	77.926316
"587048"	412.667908	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"3M+2K"	77.926316
"1073744"	163.531408	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2K"	77.926316
"1100755"	328.070092	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2K+H"	78.933592
"1337139"	328.157707	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+DMSO+H"	79.021207
"1005945"	332.196876	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2ACN+H"	83.060376
"1525009"	333.190508	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+IsoProp+Na+H"	84.054008
"993163"	166.602076	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+2ACN+2H"	84.067652
"1589854"	334.105128	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+K+HCOOH"	84.968628
"1420980"	364.136638	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+H+CF3COOH"	115.000138
"1157830"	187.115351	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+3ACN+2H"	125.094202
"1705195"	381.163185	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+NH4+CF3COOH"	132.026685
"1636470"	386.11858	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+Na+CF3COOH"	136.98208
"1578684"	402.09252	"C20983"	"4-O-Dimethylallyl-L-tyrosine"	"C14H19NO3"	"249.1365"	"M+K+CF3COOH"	152.95602
"816583"	342.1467	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M"	0
"980394"	323.12831	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-H2O-H"	-19.01839
"73019"	227.090524	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M-3H"	-3.021828
"511484"	341.139424	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M-3H"	-3.021828
"889287"	113.041624	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-3H"	-3.021828
"14063"	341.139424	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M-2H"	-2.014552
"453985"	512.212774	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M-2H"	-2.014552
"824134"	170.066074	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-2H"	-2.014552
"90685"	683.286124	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M-H"	-1.007276
"528058"	1025.432824	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M-H"	-1.007276
"908782"	341.139424	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-H"	-1.007276
"54772"	700.312671	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M-2H+NH4"	16.019271
"500164"	1042.459371	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M-2H+NH4"	16.019271
"866302"	358.165971	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-2H+NH4"	16.019271
"41494"	705.268066	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M-2H+Na"	20.974666
"481419"	1047.414766	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M-2H+Na"	20.974666
"858127"	363.121366	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-2H+Na"	20.974666
"1628026"	363.121366	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Na-2H"	20.974666
"106378"	359.127763	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M-H+Cl"	33.962126
"546302"	530.201113	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M-H+Cl"	33.962126
"940789"	188.054413	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-H+Cl"	33.962126
"276189"	719.262802	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+Cl"	34.969402
"662414"	1061.409502	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+Cl"	34.969402
"1276640"	377.116102	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Cl"	34.969402
"18103"	721.242006	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M-2H+K"	36.948606
"457296"	1063.388706	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M-2H+K"	36.948606
"838743"	379.095306	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-2H+K"	36.948606
"1556638"	379.095306	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+K-2H"	36.948606
"943543"	387.144894	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-H+HCOOH"	44.998194
"363212"	729.291601	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+HCOOH-H"	44.998201
"347097"	743.307251	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+Hac-H"	59.013851
"1495578"	401.160551	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Hac-H"	59.013851
"967496"	409.126851	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-H+NaCOOH"	66.980151
"122966"	377.116102	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+2Cl"	69.938804
"558151"	548.189452	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+2Cl"	69.938804
"1033515"	206.042752	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2Cl"	69.938804
"1253094"	421.065585	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Br"	78.918885
"1314448"	423.121572	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Cl+HCOOH"	80.974872
"1331946"	445.103529	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Cl+NaCOOH"	102.956829
"921913"	455.132286	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M-H+CF3COOH"	112.985586
"1302275"	491.108964	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Cl+CF3COOH"	148.962264
"1380805"	307.134024	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H-2H2O"	-35.012676
"1397573"	325.144	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H-H2O"	-17.0027
"297256"	685.300676	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+H"	1.007276
"689674"	1027.447376	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+H"	1.007276
"1366762"	343.153976	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H"	1.007276
"136730"	343.153976	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+2H"	2.014552
"577747"	514.227326	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+2H"	2.014552
"1051288"	172.080626	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2H"	2.014552
"219432"	229.105076	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+3H"	3.021828
"659400"	343.153976	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+3H"	3.021828
"1177358"	115.056176	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+3H"	3.021828
"437227"	702.327223	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+NH4"	18.033823
"800782"	1044.473923	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+NH4"	18.033823
"1695289"	360.180523	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+NH4"	18.033823
"337372"	351.6672495	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+H+NH4"	19.041099
"735994"	522.7405995	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+H+NH4"	19.041099
"1489086"	180.5938995	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H+NH4"	19.041099
"404483"	707.282618	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+Na"	22.989218
"766208"	1049.429318	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+Na"	22.989218
"1616495"	365.135918	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Na"	22.989218
"327625"	354.144947	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+H+Na"	23.996494
"718954"	525.218297	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+H+Na"	23.996494
"1473139"	183.071597	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H+Na"	23.996494
"1062011"	122.38349	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2H+Na"	25.00377
"1264782"	375.180186	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+CH3OH+H"	33.033486
"384449"	723.256558	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+K"	38.963158
"747632"	1065.403258	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+K"	38.963158
"1547499"	381.109858	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+K"	38.963158
"306861"	362.131917	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+H+K"	39.970434
"695277"	533.205267	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+H+K"	39.970434
"1448731"	191.058567	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H+K"	39.970434
"238424"	726.327226	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+ACN+H"	42.033826
"1216600"	384.180526	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+ACN+H"	42.033826
"1197574"	192.593901	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+ACN+2H"	43.041102
"190807"	729.26456	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+2Na-H"	44.97116
"629270"	1071.41126	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+2Na-H"	44.97116
"1132531"	387.11786	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2Na-H"	44.97116
"179719"	365.135918	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+2Na"	45.978436
"619283"	536.209268	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+2Na"	45.978436
"1122790"	194.062568	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2Na"	45.978436
"1405220"	129.710804	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H+2Na"	46.985712
"1432233"	389.159446	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H+HCOOH"	47.012746
"225937"	370.16894	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+3H2O+2H"	56.04448
"1514362"	403.21149	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+IsoProp+H"	61.06479
"416966"	373.122888	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+Na+K"	61.952376
"776872"	544.196238	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+Na+K"	61.952376
"1675390"	202.049538	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Na+K"	61.952376
"262273"	748.309168	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+ACN+Na"	64.015768
"1235710"	406.162468	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+ACN+Na"	64.015768
"1721314"	406.185993	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+NH4+HCOOH"	64.039293
"1187763"	137.038118	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+3Na"	68.967654
"1654010"	411.141388	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Na+HCOOH"	68.994688
"164517"	761.21244	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+2K-H"	76.91904
"602983"	1103.35914	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+2K-H"	76.91904
"1086765"	419.06574	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2K-H"	76.91904
"148689"	381.109858	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"2M+2K"	77.926316
"588252"	552.183208	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"3M+2K"	77.926316
"1074949"	210.036508	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2K"	77.926316
"1107064"	421.080292	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2K+H"	78.933592
"1342354"	421.167907	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+DMSO+H"	79.021207
"1010884"	425.207076	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2ACN+H"	83.060376
"1530103"	426.200708	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+IsoProp+Na+H"	84.054008
"998743"	213.107176	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+2ACN+2H"	84.067652
"1591057"	427.115328	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+K+HCOOH"	84.968628
"1424372"	457.146838	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+H+CF3COOH"	115.000138
"1155755"	233.620451	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+3ACN+2H"	125.094202
"1703121"	474.173385	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+NH4+CF3COOH"	132.026685
"1644237"	479.12878	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+Na+CF3COOH"	136.98208
"1578794"	495.10272	"C20984"	"3-Linalylflaviolin"	"C20H22O5"	"342.1467"	"M+K+CF3COOH"	152.95602
"805879"	422.073	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M"	0
"980503"	403.05461	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-H2O-H"	-19.01839
"73129"	280.374724	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M-3H"	-3.021828
"513782"	421.065724	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M-3H"	-3.021828
"892676"	139.683724	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-3H"	-3.021828
"9066"	421.065724	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M-2H"	-2.014552
"446439"	632.102224	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M-2H"	-2.014552
"825335"	210.029224	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-2H"	-2.014552
"84234"	843.138724	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M-H"	-1.007276
"525980"	1265.211724	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M-H"	-1.007276
"908771"	421.065724	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-H"	-1.007276
"58162"	860.165271	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M-2H+NH4"	16.019271
"500397"	1282.238271	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M-2H+NH4"	16.019271
"875526"	438.092271	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-2H+NH4"	16.019271
"43426"	865.120666	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M-2H+Na"	20.974666
"479342"	1287.193666	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M-2H+Na"	20.974666
"859329"	443.047666	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-2H+Na"	20.974666
"1624852"	443.047666	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Na-2H"	20.974666
"106487"	439.054063	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M-H+Cl"	33.962126
"547141"	650.090563	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M-H+Cl"	33.962126
"939925"	228.017563	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-H+Cl"	33.962126
"270832"	879.115402	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+Cl"	34.969402
"663253"	1301.188402	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+Cl"	34.969402
"1280031"	457.042402	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Cl"	34.969402
"22586"	881.094606	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M-2H+K"	36.948606
"462143"	1303.167606	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M-2H+K"	36.948606
"838851"	459.021606	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-2H+K"	36.948606
"1556139"	459.021606	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+K-2H"	36.948606
"943411"	467.071194	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-H+HCOOH"	44.998194
"362230"	889.144201	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+HCOOH-H"	44.998201
"347693"	903.159851	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+Hac-H"	59.013851
"1492834"	481.086851	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Hac-H"	59.013851
"958850"	489.053151	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-H+NaCOOH"	66.980151
"124534"	457.042402	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+2Cl"	69.938804
"564821"	668.078902	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+2Cl"	69.938804
"1033625"	246.005902	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2Cl"	69.938804
"1253204"	500.991885	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Br"	78.918885
"1311277"	503.047872	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Cl+HCOOH"	80.974872
"1327681"	525.029829	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Cl+NaCOOH"	102.956829
"922021"	535.058586	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M-H+CF3COOH"	112.985586
"1303480"	571.035264	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Cl+CF3COOH"	148.962264
"1382292"	387.060324	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H-2H2O"	-35.012676
"1397676"	405.0703	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H-H2O"	-17.0027
"297360"	845.153276	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+H"	1.007276
"689785"	1267.226276	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+H"	1.007276
"1361760"	423.080276	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H"	1.007276
"136472"	423.080276	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+2H"	2.014552
"577126"	634.116776	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+2H"	2.014552
"1048478"	212.043776	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2H"	2.014552
"216013"	282.389276	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+3H"	3.021828
"654841"	423.080276	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+3H"	3.021828
"1177347"	141.698276	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+3H"	3.021828
"435147"	862.179823	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+NH4"	18.033823
"799067"	1284.252823	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+NH4"	18.033823
"1690289"	440.106823	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+NH4"	18.033823
"340762"	431.5935495	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+H+NH4"	19.041099
"735375"	642.6300495	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+H+NH4"	19.041099
"1488103"	220.5570495	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H+NH4"	19.041099
"400220"	867.135218	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+Na"	22.989218
"767413"	1289.208218	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+Na"	22.989218
"1614783"	445.062218	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Na"	22.989218
"325914"	434.071247	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+H+Na"	23.996494
"717969"	645.107747	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+H+Na"	23.996494
"1473613"	223.034747	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H+Na"	23.996494
"1062119"	149.02559	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2H+Na"	25.00377
"1267080"	455.106486	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+CH3OH+H"	33.033486
"382377"	883.109158	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+K"	38.963158
"744463"	1305.182158	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+K"	38.963158
"1543236"	461.036158	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+K"	38.963158
"304786"	442.058217	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+H+K"	39.970434
"692469"	653.094717	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+H+K"	39.970434
"1448477"	231.021717	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H+K"	39.970434
"238899"	886.179826	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+ACN+H"	42.033826
"1214523"	464.106826	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+ACN+H"	42.033826
"1195128"	232.557051	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+ACN+2H"	43.041102
"188697"	889.11716	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+2Na-H"	44.97116
"630465"	1311.19016	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+2Na-H"	44.97116
"1133606"	467.04416	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2Na-H"	44.97116
"179829"	445.062218	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+2Na"	45.978436
"619393"	656.098718	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+2Na"	45.978436
"1121806"	234.025718	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2Na"	45.978436
"1403143"	156.352904	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H+2Na"	46.985712
"1432100"	469.085746	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H+HCOOH"	47.012746
"224954"	450.09524	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+3H2O+2H"	56.04448
"1512649"	483.13779	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+IsoProp+H"	61.06479
"411973"	453.049188	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+Na+K"	61.952376
"779166"	664.085688	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+Na+K"	61.952376
"1673313"	242.012688	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Na+K"	61.952376
"258740"	908.161768	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+ACN+Na"	64.015768
"1231447"	486.088768	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+ACN+Na"	64.015768
"1722520"	486.112293	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+NH4+HCOOH"	64.039293
"1190061"	163.680218	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+3Na"	68.967654
"1659953"	491.067688	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Na+HCOOH"	68.994688
"163535"	921.06504	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+2K-H"	76.91904
"601273"	1343.13804	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+2K-H"	76.91904
"1086148"	498.99204	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2K-H"	76.91904
"146612"	461.036158	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"2M+2K"	77.926316
"588362"	672.072658	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"3M+2K"	77.926316
"1075060"	249.999658	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2K"	77.926316
"1103894"	501.006592	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2K+H"	78.933592
"1342464"	501.094207	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+DMSO+H"	79.021207
"1008807"	505.133376	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2ACN+H"	83.060376
"1529120"	506.127008	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+IsoProp+Na+H"	84.054008
"997760"	253.070326	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+2ACN+2H"	84.067652
"1595543"	507.041628	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+K+HCOOH"	84.968628
"1421204"	537.073138	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+H+CF3COOH"	115.000138
"1156958"	273.583601	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+3ACN+2H"	125.094202
"1706511"	554.099685	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+NH4+CF3COOH"	132.026685
"1644347"	559.05508	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+Na+CF3COOH"	136.98208
"1578904"	575.02902	"C20985"	"2-Sulfotrehalose;2-O-Sulfo-alphaalpha-trehalose"	"C12H22O14S"	"422.073"	"M+K+CF3COOH"	152.95602
"805989"	309.9855	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M"	0
"979520"	290.96711	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H2O-H"	-19.01839
"76515"	205.649724	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-3H"	-3.021828
"511700"	308.978224	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-3H"	-3.021828
"892421"	102.321224	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-3H"	-3.021828
"13551"	308.978224	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H"	-2.014552
"450923"	463.970974	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H"	-2.014552
"822165"	153.985474	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H"	-2.014552
"83250"	618.963724	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-H"	-1.007276
"524997"	928.949224	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-H"	-1.007276
"906085"	308.978224	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H"	-1.007276
"59366"	635.990271	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+NH4"	16.019271
"500383"	945.975771	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+NH4"	16.019271
"875635"	326.004771	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+NH4"	16.019271
"42807"	640.945666	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+Na"	20.974666
"484555"	950.931166	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+Na"	20.974666
"859805"	330.960166	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+Na"	20.974666
"1628243"	330.960166	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na-2H"	20.974666
"105868"	326.966563	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-H+Cl"	33.962126
"545796"	481.959313	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-H+Cl"	33.962126
"940404"	171.973813	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+Cl"	33.962126
"270942"	654.940402	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Cl"	34.969402
"662270"	964.925902	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Cl"	34.969402
"1277954"	344.954902	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl"	34.969402
"25976"	656.919606	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M-2H+K"	36.948606
"462254"	966.905106	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M-2H+K"	36.948606
"835681"	346.934106	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-2H+K"	36.948606
"1558074"	346.934106	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K-2H"	36.948606
"943400"	354.983694	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+HCOOH"	44.998194
"362341"	664.969201	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+HCOOH-H"	44.998201
"348049"	678.984851	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Hac-H"	59.013851
"1495420"	368.999351	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Hac-H"	59.013851
"960164"	376.965651	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+NaCOOH"	66.980151
"111139"	344.954902	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Cl"	69.938804
"561651"	499.947652	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Cl"	69.938804
"1032637"	189.962152	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Cl"	69.938804
"1254407"	388.904385	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Br"	78.918885
"1310294"	390.960372	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+HCOOH"	80.974872
"1327791"	412.942329	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+NaCOOH"	102.956829
"922131"	422.971086	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M-H+CF3COOH"	112.985586
"1303467"	458.947764	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Cl+CF3COOH"	148.962264
"1382318"	274.972824	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H-2H2O"	-35.012676
"1396692"	292.9828	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H-H2O"	-17.0027
"298083"	620.978276	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H"	1.007276
"689899"	930.963776	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H"	1.007276
"1361869"	310.992776	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H"	1.007276
"134759"	310.992776	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2H"	2.014552
"578328"	465.985526	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2H"	2.014552
"1049680"	156.000026	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2H"	2.014552
"216851"	207.664276	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H"	3.021828
"654951"	310.992776	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+3H"	3.021828
"1175996"	104.335776	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3H"	3.021828
"437080"	638.004823	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+NH4"	18.033823
"798808"	947.990323	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+NH4"	18.033823
"1695142"	328.019323	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4"	18.033823
"337588"	319.5060495	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+NH4"	19.041099
"735121"	474.4987995	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+NH4"	19.041099
"1491128"	164.5132995	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+NH4"	19.041099
"401423"	642.960218	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na"	22.989218
"767766"	952.945718	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na"	22.989218
"1615987"	332.974718	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na"	22.989218
"327848"	321.983747	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+Na"	23.996494
"720267"	476.976497	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+Na"	23.996494
"1473721"	166.990997	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+Na"	23.996494
"1060041"	111.66309	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2H+Na"	25.00377
"1267187"	343.018986	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+CH3OH+H"	33.033486
"384672"	658.934158	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+K"	38.963158
"743483"	968.919658	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+K"	38.963158
"1546626"	348.948658	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K"	38.963158
"305989"	329.970717	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+H+K"	39.970434
"694039"	484.963467	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+H+K"	39.970434
"1449317"	174.977967	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+K"	39.970434
"239009"	662.004826	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+H"	42.033826
"1214634"	352.019326	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+H"	42.033826
"1196332"	176.513301	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+2H"	43.041102
"189201"	664.94216	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na-H"	44.97116
"629485"	974.92766	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na-H"	44.97116
"1133717"	354.95666	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na-H"	44.97116
"185407"	332.974718	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2Na"	45.978436
"622783"	487.967468	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2Na"	45.978436
"1119729"	177.981968	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2Na"	45.978436
"1398464"	118.990404	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+2Na"	46.985712
"1432089"	356.998246	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+HCOOH"	47.012746
"228344"	338.00774	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+3H2O+2H"	56.04448
"1513125"	371.05029	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+H"	61.06479
"414999"	340.961688	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+Na+K"	61.952376
"773808"	495.954438	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+Na+K"	61.952376
"1675610"	185.968938	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+K"	61.952376
"259943"	683.986768	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+ACN+Na"	64.015768
"1233744"	374.001268	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+ACN+Na"	64.015768
"1721537"	374.024793	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+HCOOH"	64.039293
"1191264"	126.317718	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3Na"	68.967654
"1661156"	378.980188	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+HCOOH"	68.994688
"163646"	696.89004	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K-H"	76.91904
"601019"	1006.87554	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K-H"	76.91904
"1086624"	386.90454	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K-H"	76.91904
"148908"	348.948658	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"2M+2K"	77.926316
"589565"	503.941408	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"3M+2K"	77.926316
"1077357"	193.955908	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K"	77.926316
"1105101"	388.919092	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2K+H"	78.933592
"1340390"	389.006707	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+DMSO+H"	79.021207
"1012197"	393.045876	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+H"	83.060376
"1529230"	394.039508	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+IsoProp+Na+H"	84.054008
"997869"	197.026576	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+2ACN+2H"	84.067652
"1594559"	394.954128	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K+HCOOH"	84.968628
"1424592"	424.985638	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+H+CF3COOH"	115.000138
"1157068"	217.539851	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+3ACN+2H"	125.094202
"1706619"	442.012185	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+NH4+CF3COOH"	132.026685
"1644457"	446.96758	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+Na+CF3COOH"	136.98208
"1579014"	462.94152	"C20986"	"D-Ribose 25-bisphosphate"	"C5H12O11P2"	"309.9855"	"M+K+CF3COOH"	152.95602
"813754"	887.1033	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M"	0
"986191"	868.08491	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-H2O-H"	-19.01839
"74438"	590.394924	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M-3H"	-3.021828
"517278"	886.096024	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M-3H"	-3.021828
"894475"	294.693824	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-3H"	-3.021828
"10380"	886.096024	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M-2H"	-2.014552
"453220"	1329.647674	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M-2H"	-2.014552
"825555"	442.544374	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-2H"	-2.014552
"87734"	1773.199324	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M-H"	-1.007276
"528388"	2660.302624	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M-H"	-1.007276
"910695"	886.096024	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-H"	-1.007276
"62400"	1790.225871	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M-2H+NH4"	16.019271
"502318"	2677.329171	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M-2H+NH4"	16.019271
"879640"	903.122571	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-2H+NH4"	16.019271
"46932"	1795.181266	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M-2H+Na"	20.974666
"486936"	2682.284566	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M-2H+Na"	20.974666
"861373"	908.077966	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-2H+Na"	20.974666
"1628353"	908.077966	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Na-2H"	20.974666
"108164"	904.084363	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M-H+Cl"	33.962126
"549472"	1347.636013	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M-H+Cl"	33.962126
"942338"	460.532713	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-H+Cl"	33.962126
"273239"	1809.176002	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+Cl"	34.969402
"663838"	2696.279302	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+Cl"	34.969402
"1276971"	922.072702	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Cl"	34.969402
"27179"	1811.155206	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M-2H+K"	36.948606
"462364"	2698.258506	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M-2H+K"	36.948606
"836884"	924.051906	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-2H+K"	36.948606
"1559277"	924.051906	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+K-2H"	36.948606
"944241"	932.101494	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-H+HCOOH"	44.998194
"362451"	1819.204801	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+HCOOH-H"	44.998201
"347794"	1833.220451	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+Hac-H"	59.013851
"1495167"	946.117151	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Hac-H"	59.013851
"960884"	954.083451	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-H+NaCOOH"	66.980151
"111127"	922.072702	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+2Cl"	69.938804
"565041"	1365.624352	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+2Cl"	69.938804
"1034934"	478.521052	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2Cl"	69.938804
"1254517"	966.022185	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Br"	78.918885
"1309310"	968.078172	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Cl+HCOOH"	80.974872
"1325714"	990.060129	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Cl+NaCOOH"	102.956829
"923334"	1000.088886	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M-H+CF3COOH"	112.985586
"1304069"	1036.065564	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Cl+CF3COOH"	148.962264
"1382226"	852.090624	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H-2H2O"	-35.012676
"1398314"	870.1006	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H-H2O"	-17.0027
"298478"	1775.213876	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+H"	1.007276
"690004"	2662.317176	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+H"	1.007276
"1363072"	888.110576	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H"	1.007276
"138149"	888.110576	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+2H"	2.014552
"576615"	1331.662226	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+2H"	2.014552
"1048694"	444.558926	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2H"	2.014552
"218055"	592.409476	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+3H"	3.021828
"655061"	888.110576	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+3H"	3.021828
"1172091"	296.708376	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+3H"	3.021828
"433175"	1792.240423	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+NH4"	18.033823
"800987"	2679.343723	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+NH4"	18.033823
"1696710"	905.137123	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+NH4"	18.033823
"341708"	896.6238495	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+H+NH4"	19.041099
"733398"	1340.1754995	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+H+NH4"	19.041099
"1491846"	453.0721995	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H+NH4"	19.041099
"406272"	1797.195818	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+Na"	22.989218
"769092"	2684.299118	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+Na"	22.989218
"1617799"	910.092518	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Na"	22.989218
"328928"	899.101547	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+H+Na"	23.996494
"721591"	1342.653197	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+H+Na"	23.996494
"1473102"	455.549897	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H+Na"	23.996494
"1063431"	304.03569	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2H+Na"	25.00377
"1268390"	920.136786	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+CH3OH+H"	33.033486
"391340"	1813.169758	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+K"	38.963158
"751242"	2700.273058	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+K"	38.963158
"1550020"	926.066458	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+K"	38.963158
"309381"	907.088517	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+H+K"	39.970434
"701802"	1350.640167	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+H+K"	39.970434
"1455622"	463.536867	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H+K"	39.970434
"243130"	1816.240426	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+ACN+H"	42.033826
"1219119"	929.137126	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+ACN+H"	42.033826
"1204098"	465.072201	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+ACN+2H"	43.041102
"194782"	1819.17776	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+2Na-H"	44.97116
"630816"	2706.28106	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+2Na-H"	44.97116
"1133470"	932.07446	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2Na-H"	44.97116
"183331"	910.092518	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+2Na"	45.978436
"622893"	1353.644168	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+2Na"	45.978436
"1119839"	466.540868	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2Na"	45.978436
"1400203"	311.363004	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H+2Na"	46.985712
"1432199"	934.116046	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H+HCOOH"	47.012746
"229548"	915.12554	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+3H2O+2H"	56.04448
"1516515"	948.16809	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+IsoProp+H"	61.06479
"416202"	918.079488	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+Na+K"	61.952376
"779385"	1361.631138	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+Na+K"	61.952376
"1675717"	474.527838	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Na+K"	61.952376
"261147"	1838.222368	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+ACN+Na"	64.015768
"1238228"	951.119068	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+ACN+Na"	64.015768
"1720554"	951.142593	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+NH4+HCOOH"	64.039293
"1191374"	318.690318	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+3Na"	68.967654
"1663453"	956.097988	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Na+HCOOH"	68.994688
"165943"	1851.12564	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+2K-H"	76.91904
"603316"	2738.22894	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+2K-H"	76.91904
"1093294"	964.02234	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2K-H"	76.91904
"150111"	926.066458	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"2M+2K"	77.926316
"587488"	1369.618108	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"3M+2K"	77.926316
"1075280"	482.514808	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2K"	77.926316
"1108492"	966.036892	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2K+H"	78.933592
"1343781"	966.124507	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+DMSO+H"	79.021207
"1013403"	970.163676	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2ACN+H"	83.060376
"1530433"	971.157308	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+IsoProp+Na+H"	84.054008
"997979"	485.585476	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+2ACN+2H"	84.067652
"1592483"	972.071928	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+K+HCOOH"	84.968628
"1421421"	1002.103438	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+H+CF3COOH"	115.000138
"1159364"	506.098751	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+3ACN+2H"	125.094202
"1703449"	1019.129985	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+NH4+CF3COOH"	132.026685
"1644567"	1024.08538	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+Na+CF3COOH"	136.98208
"1572563"	1040.05932	"C20987"	"3-Sulfinopropanoyl-CoA"	"C24H40N7O19P3S2"	"887.1033"	"M+K+CF3COOH"	152.95602
"811680"	280.2038	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M"	0
"980840"	261.18541	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-H2O-H"	-19.01839
"67990"	185.795257333333	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M-3H"	-3.021828
"508644"	279.196524	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M-3H"	-3.021828
"886448"	92.3939906666667	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-3H"	-3.021828
"8303"	279.196524	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M-2H"	-2.014552
"454793"	419.298424	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M-2H"	-2.014552
"832358"	139.094624	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-2H"	-2.014552
"94131"	559.400324	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M-H"	-1.007276
"534098"	839.604124	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M-H"	-1.007276
"911049"	279.196524	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-H"	-1.007276
"61770"	576.426871	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M-2H+NH4"	16.019271
"501331"	856.630671	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M-2H+NH4"	16.019271
"879259"	296.223071	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-2H+NH4"	16.019271
"46839"	581.382266	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M-2H+Na"	20.974666
"485138"	861.586066	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M-2H+Na"	20.974666
"864000"	301.178466	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-2H+Na"	20.974666
"1631384"	301.178466	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Na-2H"	20.974666
"102813"	297.184863	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M-H+Cl"	33.962126
"545651"	437.286763	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M-H+Cl"	33.962126
"941596"	157.082963	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-H+Cl"	33.962126
"279907"	595.377002	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+Cl"	34.969402
"673423"	875.580802	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+Cl"	34.969402
"1285823"	315.173202	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Cl"	34.969402
"26194"	597.356206	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M-2H+K"	36.948606
"461380"	877.560006	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M-2H+K"	36.948606
"836265"	317.152406	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-2H+K"	36.948606
"1558295"	317.152406	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+K-2H"	36.948606
"944475"	325.201994	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-H+HCOOH"	44.998194
"364394"	605.405801	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+HCOOH-H"	44.998201
"354840"	619.421451	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+Hac-H"	59.013851
"1508305"	339.217651	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Hac-H"	59.013851
"973897"	347.183951	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-H+NaCOOH"	66.980151
"124520"	315.173202	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+2Cl"	69.938804
"565252"	455.275102	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+2Cl"	69.938804
"1037055"	175.071302	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2Cl"	69.938804
"1256714"	359.122685	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Br"	78.918885
"1314900"	361.178672	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Cl+HCOOH"	80.974872
"1334220"	383.160629	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Cl+NaCOOH"	102.956829
"919081"	393.189386	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M-H+CF3COOH"	112.985586
"1299070"	429.166064	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Cl+CF3COOH"	148.962264
"1375044"	245.191124	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H-2H2O"	-35.012676
"1392540"	263.2011	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H-H2O"	-17.0027
"290039"	561.414876	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+H"	1.007276
"686470"	841.618676	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+H"	1.007276
"1362822"	281.211076	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H"	1.007276
"139721"	281.211076	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+2H"	2.014552
"578184"	421.312976	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+2H"	2.014552
"1050997"	141.109176	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2H"	2.014552
"217804"	187.809809333333	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+3H"	3.021828
"659067"	281.211076	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+3H"	3.021828
"1178044"	94.4085426666667	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+3H"	3.021828
"434390"	578.441423	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+NH4"	18.033823
"792104"	858.645223	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+NH4"	18.033823
"1691717"	298.237623	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+NH4"	18.033823
"343284"	289.7243495	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+H+NH4"	19.041099
"734610"	429.8262495	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+H+NH4"	19.041099
"1492554"	149.6224495	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H+NH4"	19.041099
"407113"	583.396818	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+Na"	22.989218
"765919"	863.600618	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+Na"	22.989218
"1617541"	303.193018	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Na"	22.989218
"328306"	292.202047	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+H+Na"	23.996494
"720849"	432.303947	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+H+Na"	23.996494
"1469202"	152.100147	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H+Na"	23.996494
"1063541"	101.735856666667	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2H+Na"	25.00377
"1269593"	313.237286	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+CH3OH+H"	33.033486
"392628"	599.370758	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+K"	38.963158
"752447"	879.574558	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+K"	38.963158
"1551219"	319.166958	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+K"	38.963158
"307304"	300.189017	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+H+K"	39.970434
"696444"	440.290917	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+H+K"	39.970434
"1452451"	160.087117	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H+K"	39.970434
"241053"	602.441426	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+ACN+H"	42.033826
"1215949"	322.237626	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+ACN+H"	42.033826
"1207489"	161.622451	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+ACN+2H"	43.041102
"197081"	605.37876	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+2Na-H"	44.97116
"633363"	885.58256	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+2Na-H"	44.97116
"1143799"	325.17496	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2Na-H"	44.97116
"185996"	303.193018	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+2Na"	45.978436
"625191"	443.294918	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+2Na"	45.978436
"1123230"	163.091118	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2Na"	45.978436
"1404567"	109.063170666667	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H+2Na"	46.985712
"1441055"	327.216546	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H+HCOOH"	47.012746
"232939"	308.22604	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+3H2O+2H"	56.04448
"1518814"	341.26859	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+IsoProp+H"	61.06479
"421780"	311.179988	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+Na+K"	61.952376
"783868"	451.281888	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+Na+K"	61.952376
"1679475"	171.078088	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Na+K"	61.952376
"265996"	624.423368	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+ACN+Na"	64.015768
"1240523"	344.219568	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+ACN+Na"	64.015768
"1726127"	344.243093	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+NH4+HCOOH"	64.039293
"1189294"	116.390484666667	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+3Na"	68.967654
"1665146"	349.198488	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Na+HCOOH"	68.994688
"166052"	637.32664	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+2K-H"	76.91904
"600145"	917.53044	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+2K-H"	76.91904
"1092313"	357.12284	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2K-H"	76.91904
"150222"	319.166958	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"2M+2K"	77.926316
"590877"	459.268858	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"3M+2K"	77.926316
"1076482"	179.065058	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2K"	77.926316
"1106411"	359.137392	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2K+H"	78.933592
"1339878"	359.225007	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+DMSO+H"	79.021207
"1011324"	363.264176	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2ACN+H"	83.060376
"1530544"	364.257808	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+IsoProp+Na+H"	84.054008
"995898"	182.135726	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+2ACN+2H"	84.067652
"1592592"	365.172428	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+K+HCOOH"	84.968628
"1422626"	395.203938	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+H+CF3COOH"	115.000138
"1159474"	202.649001	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+3ACN+2H"	125.094202
"1709027"	412.230485	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+NH4+CF3COOH"	132.026685
"1644677"	417.18588	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+Na+CF3COOH"	136.98208
"1574862"	433.15982	"C20992"	"Juvenile hormone I acid;(2E6E10R11S)-1011-Epoxy-7-ethyl-311-dimethyl-26-tridecadienoate"	"C17H28O3"	"280.2038"	"M+K+CF3COOH"	152.95602
"806322"	290.0685	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M"	0
"977670"	271.05011	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-H2O-H"	-19.01839
"67006"	192.371724	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M-3H"	-3.021828
"507660"	289.061224	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M-3H"	-3.021828
"887650"	95.682224	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-3H"	-3.021828
"5133"	289.061224	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M-2H"	-2.014552
"450162"	434.095474	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M-2H"	-2.014552
"832586"	144.026974	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-2H"	-2.014552
"94036"	579.129724	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M-H"	-1.007276
"533351"	869.198224	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M-H"	-1.007276
"911310"	289.061224	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-H"	-1.007276
"61638"	596.156271	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M-2H+NH4"	16.019271
"501077"	886.224771	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M-2H+NH4"	16.019271
"879613"	306.087771	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-2H+NH4"	16.019271
"43864"	601.111666	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M-2H+Na"	20.974666
"484155"	891.180166	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M-2H+Na"	20.974666
"864120"	311.043166	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-2H+Na"	20.974666
"1633969"	311.043166	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Na-2H"	20.974666
"102923"	307.049563	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M-H+Cl"	33.962126
"549610"	452.083813	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M-H+Cl"	33.962126
"942070"	162.015313	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-H+Cl"	33.962126
"281112"	615.106402	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+Cl"	34.969402
"674626"	905.174902	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+Cl"	34.969402
"1283747"	325.037902	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Cl"	34.969402
"24117"	617.085606	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M-2H+K"	36.948606
"461490"	907.154106	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M-2H+K"	36.948606
"837105"	327.017106	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-2H+K"	36.948606
"1557313"	327.017106	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+K-2H"	36.948606
"944343"	335.066694	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-H+HCOOH"	44.998194
"363411"	625.135201	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+HCOOH-H"	44.998201
"354950"	639.150851	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+Hac-H"	59.013851
"1501602"	349.082351	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Hac-H"	59.013851
"973769"	357.048651	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-H+NaCOOH"	66.980151
"125358"	325.037902	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+2Cl"	69.938804
"565044"	470.072152	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+2Cl"	69.938804
"1035536"	180.003652	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2Cl"	69.938804
"1256459"	368.987385	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Br"	78.918885
"1311730"	371.043372	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Cl+HCOOH"	80.974872
"1334329"	393.025329	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Cl+NaCOOH"	102.956829
"919191"	403.054086	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M-H+CF3COOH"	112.985586
"1296993"	439.030764	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Cl+CF3COOH"	148.962264
"1374060"	255.055824	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H-2H2O"	-35.012676
"1392650"	273.0658	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H-H2O"	-17.0027
"290148"	581.144276	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+H"	1.007276
"685851"	871.212776	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+H"	1.007276
"1361839"	291.075776	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H"	1.007276
"139831"	291.075776	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+2H"	2.014552
"578296"	436.110026	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+2H"	2.014552
"1049650"	146.041526	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2H"	2.014552
"218279"	194.386276	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+3H"	3.021828
"658936"	291.075776	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+3H"	3.021828
"1175238"	97.696776	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+3H"	3.021828
"430126"	598.170823	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+NH4"	18.033823
"792214"	888.239323	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+NH4"	18.033823
"1687454"	308.102323	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+NH4"	18.033823
"340112"	299.5890495	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+H+NH4"	19.041099
"731439"	444.6232995	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+H+NH4"	19.041099
"1489270"	154.5547995	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H+NH4"	19.041099
"405763"	603.126218	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+Na"	22.989218
"764936"	893.194718	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+Na"	22.989218
"1616313"	313.057718	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Na"	22.989218
"323070"	302.066747	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+H+Na"	23.996494
"718771"	447.100997	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+H+Na"	23.996494
"1469312"	157.032497	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H+Na"	23.996494
"1058182"	105.02409	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2H+Na"	25.00377
"1268610"	323.101986	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+CH3OH+H"	33.033486
"391559"	619.100158	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+K"	38.963158
"752556"	909.168658	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+K"	38.963158
"1551329"	329.031658	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+K"	38.963158
"306320"	310.053717	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+H+K"	39.970434
"696554"	455.087967	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+H+K"	39.970434
"1452561"	165.019467	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H+K"	39.970434
"243350"	622.170826	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+ACN+H"	42.033826
"1212779"	332.102326	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+ACN+H"	42.033826
"1208328"	166.554801	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+ACN+2H"	43.041102
"199377"	625.10816	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+2Na-H"	44.97116
"634566"	915.17666	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+2Na-H"	44.97116
"1144636"	335.03966	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2Na-H"	44.97116
"186106"	313.057718	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+2Na"	45.978436
"625667"	458.091968	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+2Na"	45.978436
"1124434"	168.023468	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2Na"	45.978436
"1404677"	112.351404	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H+2Na"	46.985712
"1441896"	337.081246	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H+HCOOH"	47.012746
"234508"	318.09074	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+3H2O+2H"	56.04448
"1518924"	351.13329	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+IsoProp+H"	61.06479
"424236"	321.044688	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+Na+K"	61.952376
"785359"	466.078938	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+Na+K"	61.952376
"1680925"	176.010438	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Na+K"	61.952376
"267096"	644.152768	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+ACN+Na"	64.015768
"1240633"	354.084268	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+ACN+Na"	64.015768
"1726237"	354.107793	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+NH4+HCOOH"	64.039293
"1189404"	119.678718	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+3Na"	68.967654
"1665426"	359.063188	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Na+HCOOH"	68.994688
"168350"	657.05604	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+2K-H"	76.91904
"603535"	947.12454	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+2K-H"	76.91904
"1093516"	366.98754	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2K-H"	76.91904
"147052"	329.031658	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"2M+2K"	77.926316
"590987"	474.065908	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"3M+2K"	77.926316
"1076592"	183.997408	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2K"	77.926316
"1108708"	369.002092	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2K+H"	78.933592
"1338894"	369.089707	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+DMSO+H"	79.021207
"1012527"	373.128876	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2ACN+H"	83.060376
"1528466"	374.122508	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+IsoProp+Na+H"	84.054008
"997101"	187.068076	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+2ACN+2H"	84.067652
"1593795"	375.037128	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+K+HCOOH"	84.968628
"1423829"	405.068638	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+H+CF3COOH"	115.000138
"1159584"	207.581351	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+3ACN+2H"	125.094202
"1708043"	422.095185	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+NH4+CF3COOH"	132.026685
"1644787"	427.05058	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+Na+CF3COOH"	136.98208
"1574972"	443.02452	"C20993"	"S-(L-Histidin-5-yl)-L-cysteine S-oxide"	"C9H14N4O5S"	"290.0685"	"M+K+CF3COOH"	152.95602
"806432"	333.1233	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M"	0
"981062"	314.10491	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-H2O-H"	-19.01839
"63958"	221.074924	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M-3H"	-3.021828
"505583"	332.116024	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M-3H"	-3.021828
"882291"	110.033824	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-3H"	-3.021828
"5243"	332.116024	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M-2H"	-2.014552
"450272"	498.677674	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M-2H"	-2.014552
"829900"	165.554374	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-2H"	-2.014552
"92444"	665.239324	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M-H"	-1.007276
"530909"	998.362624	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M-H"	-1.007276
"910293"	332.116024	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-H"	-1.007276
"55430"	682.265871	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M-2H+NH4"	16.019271
"497178"	1015.389171	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M-2H+NH4"	16.019271
"877168"	349.142571	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-2H+NH4"	16.019271
"45069"	687.221266	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M-2H+Na"	20.974666
"486579"	1020.344566	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M-2H+Na"	20.974666
"862798"	354.097966	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-2H+Na"	20.974666
"1633795"	354.097966	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Na-2H"	20.974666
"100846"	350.104363	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M-H+Cl"	33.962126
"539312"	516.666013	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M-H+Cl"	33.962126
"942305"	183.542713	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-H+Cl"	33.962126
"279400"	701.216002	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+Cl"	34.969402
"673888"	1034.339302	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+Cl"	34.969402
"1283858"	368.092702	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Cl"	34.969402
"27509"	703.195206	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M-2H+K"	36.948606
"460508"	1036.318506	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M-2H+K"	36.948606
"838310"	370.071906	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-2H+K"	36.948606
"1561797"	370.071906	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+K-2H"	36.948606
"945304"	378.121494	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-H+HCOOH"	44.998194
"365708"	711.244801	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+HCOOH-H"	44.998201
"355060"	725.260451	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+Hac-H"	59.013851
"1498432"	392.137151	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Hac-H"	59.013851
"972172"	400.103451	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-H+NaCOOH"	66.980151
"124742"	368.092702	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+2Cl"	69.938804
"565558"	534.654352	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+2Cl"	69.938804
"1036909"	201.531052	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2Cl"	69.938804
"1256890"	412.042185	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Br"	78.918885
"1318401"	414.098172	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Cl+HCOOH"	80.974872
"1329336"	436.080129	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Cl+NaCOOH"	102.956829
"918208"	446.108886	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M-H+CF3COOH"	112.985586
"1298927"	482.085564	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Cl+CF3COOH"	148.962264
"1375264"	298.110624	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H-2H2O"	-35.012676
"1391667"	316.1206	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H-H2O"	-17.0027
"293906"	667.253876	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+H"	1.007276
"687058"	1000.377176	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+H"	1.007276
"1362679"	334.130576	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H"	1.007276
"139941"	334.130576	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+2H"	2.014552
"580596"	500.692226	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+2H"	2.014552
"1049394"	167.568926	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2H"	2.014552
"218389"	223.089476	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+3H"	3.021828
"658317"	334.130576	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+3H"	3.021828
"1173890"	112.048376	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+3H"	3.021828
"433517"	684.280423	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+NH4"	18.033823
"797067"	1017.403723	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+NH4"	18.033823
"1693032"	351.157123	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+NH4"	18.033823
"340222"	342.6438495	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+H+NH4"	19.041099
"730455"	509.2054995	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+H+NH4"	19.041099
"1491205"	176.0821995	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H+NH4"	19.041099
"404050"	689.235818	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+Na"	22.989218
"768327"	1022.359118	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+Na"	22.989218
"1613144"	356.112518	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Na"	22.989218
"323179"	345.121547	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+H+Na"	23.996494
"718881"	511.683197	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+H+Na"	23.996494
"1470514"	178.559897	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H+Na"	23.996494
"1060479"	119.37569	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2H+Na"	25.00377
"1267625"	366.156786	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+CH3OH+H"	33.033486
"386202"	705.209758	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+K"	38.963158
"749387"	1038.333058	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+K"	38.963158
"1548161"	372.086458	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+K"	38.963158
"307524"	353.108517	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+H+K"	39.970434
"702133"	519.670167	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+H+K"	39.970434
"1452672"	186.546867	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H+K"	39.970434
"246742"	708.280426	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+ACN+H"	42.033826
"1223825"	375.157126	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+ACN+H"	42.033826
"1208438"	188.082201	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+ACN+2H"	43.041102
"198394"	711.21776	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+2Na-H"	44.97116
"636862"	1044.34106	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+2Na-H"	44.97116
"1142560"	378.09446	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2Na-H"	44.97116
"184757"	356.112518	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+2Na"	45.978436
"625412"	522.674168	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+2Na"	45.978436
"1120535"	189.550868	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2Na"	45.978436
"1405151"	126.703004	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H+2Na"	46.985712
"1441277"	380.136046	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H+HCOOH"	47.012746
"229879"	361.14554	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+3H2O+2H"	56.04448
"1523408"	394.18809	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+IsoProp+H"	61.06479
"424132"	364.099488	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+Na+K"	61.952376
"785510"	530.661138	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+Na+K"	61.952376
"1680667"	197.537838	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Na+K"	61.952376
"267102"	730.262368	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+ACN+Na"	64.015768
"1239658"	397.139068	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+ACN+Na"	64.015768
"1726348"	397.162593	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+NH4+HCOOH"	64.039293
"1192800"	134.030318	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+3Na"	68.967654
"1658317"	402.117988	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Na+HCOOH"	68.994688
"162993"	743.16564	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+2K-H"	76.91904
"605835"	1076.28894	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+2K-H"	76.91904
"1092532"	410.04234	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2K-H"	76.91904
"147165"	372.086458	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"2M+2K"	77.926316
"588909"	538.648108	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"3M+2K"	77.926316
"1074514"	205.524808	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2K"	77.926316
"1105536"	412.056892	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2K+H"	78.933592
"1343015"	412.144507	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+DMSO+H"	79.021207
"1012639"	416.183676	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2ACN+H"	83.060376
"1529672"	417.177308	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+IsoProp+Na+H"	84.054008
"995025"	208.595476	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+2ACN+2H"	84.067652
"1593905"	418.091928	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+K+HCOOH"	84.968628
"1421750"	448.123438	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+H+CF3COOH"	115.000138
"1156416"	229.108751	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+3ACN+2H"	125.094202
"1710340"	465.149985	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+NH4+CF3COOH"	132.026685
"1644897"	470.10538	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+Na+CF3COOH"	136.98208
"1572896"	486.07932	"C20994"	"S-(Hercyn-2-yl)-L-cysteine S-oxide"	"C12H21N4O5S"	"333.1233"	"M+K+CF3COOH"	152.95602
"806542"	462.1659	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M"	0
"976794"	443.14751	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-H2O-H"	-19.01839
"64311"	307.103324	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M-3H"	-3.021828
"505691"	461.158624	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M-3H"	-3.021828
"881308"	153.048024	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-3H"	-3.021828
"4260"	461.158624	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M-2H"	-2.014552
"450382"	692.241574	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M-2H"	-2.014552
"827094"	230.075674	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-2H"	-2.014552
"91826"	923.324524	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M-H"	-1.007276
"532723"	1385.490424	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M-H"	-1.007276
"910039"	461.158624	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-H"	-1.007276
"58820"	940.351071	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M-2H+NH4"	16.019271
"497288"	1402.516971	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M-2H+NH4"	16.019271
"876793"	478.185171	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-2H+NH4"	16.019271
"39711"	945.306466	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M-2H+Na"	20.974666
"486571"	1407.472366	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M-2H+Na"	20.974666
"862179"	483.140566	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-2H+Na"	20.974666
"1634024"	483.140566	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Na-2H"	20.974666
"100956"	479.146963	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M-H+Cl"	33.962126
"544889"	710.229913	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M-H+Cl"	33.962126
"941196"	248.064013	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-H+Cl"	33.962126
"279875"	959.301202	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+Cl"	34.969402
"673754"	1421.467102	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+Cl"	34.969402
"1280688"	497.135302	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Cl"	34.969402
"27620"	961.280406	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M-2H+K"	36.948606
"462805"	1423.446306	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M-2H+K"	36.948606
"841700"	499.114506	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-2H+K"	36.948606
"1561907"	499.114506	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+K-2H"	36.948606
"947601"	507.164094	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-H+HCOOH"	44.998194
"365818"	969.330001	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+HCOOH-H"	44.998201
"355170"	983.345651	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+Hac-H"	59.013851
"1498542"	521.179751	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Hac-H"	59.013851
"972282"	529.146051	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-H+NaCOOH"	66.980151
"125095"	497.135302	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+2Cl"	69.938804
"565545"	728.218252	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+2Cl"	69.938804
"1036899"	266.052352	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2Cl"	69.938804
"1256797"	541.084785	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Br"	78.918885
"1315228"	543.140772	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Cl+HCOOH"	80.974872
"1331632"	565.122729	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Cl+NaCOOH"	102.956829
"917223"	575.151486	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M-H+CF3COOH"	112.985586
"1296119"	611.128164	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Cl+CF3COOH"	148.962264
"1375372"	427.153224	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H-2H2O"	-35.012676
"1391777"	445.1632	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H-H2O"	-17.0027
"292557"	925.339076	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+H"	1.007276
"687167"	1387.504976	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+H"	1.007276
"1363518"	463.173176	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H"	1.007276
"136406"	463.173176	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+2H"	2.014552
"578882"	694.256126	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+2H"	2.014552
"1049868"	232.090226	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2H"	2.014552
"217042"	309.117876	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+3H"	3.021828
"657696"	463.173176	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+3H"	3.021828
"1176551"	155.062576	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+3H"	3.021828
"437274"	942.365623	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+NH4"	18.033823
"798270"	1404.531523	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+NH4"	18.033823
"1692049"	480.199723	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+NH4"	18.033823
"344465"	471.6864495	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+H+NH4"	19.041099
"734940"	702.7693995	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+H+NH4"	19.041099
"1490947"	240.6034995	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H+NH4"	19.041099
"407931"	947.321018	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+Na"	22.989218
"765156"	1409.486918	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+Na"	22.989218
"1616413"	485.155118	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Na"	22.989218
"323289"	474.164147	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+H+Na"	23.996494
"716804"	705.247097	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+H+Na"	23.996494
"1471718"	243.081197	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H+Na"	23.996494
"1061682"	162.38989	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2H+Na"	25.00377
"1266642"	495.199386	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+CH3OH+H"	33.033486
"389592"	963.294958	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+K"	38.963158
"749496"	1425.460858	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+K"	38.963158
"1549363"	501.129058	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+K"	38.963158
"306541"	482.151117	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+H+K"	39.970434
"701150"	713.234067	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+H+K"	39.970434
"1452782"	251.068167	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H+K"	39.970434
"244665"	966.365626	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+ACN+H"	42.033826
"1222842"	504.199726	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+ACN+H"	42.033826
"1206726"	252.603501	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+ACN+2H"	43.041102
"196318"	969.30296	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+2Na-H"	44.97116
"634786"	1431.46886	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+2Na-H"	44.97116
"1143036"	507.13706	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2Na-H"	44.97116
"182680"	485.155118	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+2Na"	45.978436
"620419"	716.238068	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+2Na"	45.978436
"1123925"	254.072168	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2Na"	45.978436
"1404532"	169.717204	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H+2Na"	46.985712
"1439200"	509.178646	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H+HCOOH"	47.012746
"229990"	490.18814	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+3H2O+2H"	56.04448
"1522426"	523.23069	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+IsoProp+H"	61.06479
"421748"	493.142088	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+Na+K"	61.952376
"784201"	724.225038	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+Na+K"	61.952376
"1680775"	262.059138	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Na+K"	61.952376
"266894"	988.347568	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+ACN+Na"	64.015768
"1240857"	526.181668	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+ACN+Na"	64.015768
"1726467"	526.205193	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+NH4+HCOOH"	64.039293
"1190722"	177.044518	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+3Na"	68.967654
"1661707"	531.160588	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Na+HCOOH"	68.994688
"163103"	1001.25084	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+2K-H"	76.91904
"602664"	1463.41674	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+2K-H"	76.91904
"1091548"	539.08494	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2K-H"	76.91904
"149459"	501.129058	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"2M+2K"	77.926316
"590113"	732.212008	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"3M+2K"	77.926316
"1074625"	270.046108	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2K"	77.926316
"1106741"	541.099492	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2K+H"	78.933592
"1342032"	541.187107	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+DMSO+H"	79.021207
"1010563"	545.226276	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2ACN+H"	83.060376
"1531969"	546.219908	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+IsoProp+Na+H"	84.054008
"995136"	273.116776	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+2ACN+2H"	84.067652
"1596202"	547.134528	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+K+HCOOH"	84.968628
"1421861"	577.166038	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+H+CF3COOH"	115.000138
"1156526"	293.630051	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+3ACN+2H"	125.094202
"1710450"	594.192585	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+NH4+CF3COOH"	132.026685
"1645007"	599.14798	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+Na+CF3COOH"	136.98208
"1573006"	615.12192	"C20995"	"gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide"	"C17H28N5O8S"	"462.1659"	"M+K+CF3COOH"	152.95602
"809932"	1003.3292	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M"	0
"981277"	984.31081	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H2O-H"	-19.01839
"73897"	667.878857333333	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-3H"	-3.021828
"509082"	1002.321924	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-3H"	-3.021828
"883604"	333.435790666667	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-3H"	-3.021828
"5463"	1002.321924	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H"	-2.014552
"449399"	1503.986524	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H"	-2.014552
"827204"	500.657324	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H"	-2.014552
"90476"	2005.651124	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H"	-1.007276
"532715"	3008.980324	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H"	-1.007276
"907838"	1002.321924	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H"	-1.007276
"58930"	2022.677671	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+NH4"	16.019271
"498492"	3026.006871	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+NH4"	16.019271
"878851"	1019.348471	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+NH4"	16.019271
"45046"	2027.633066	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+Na"	20.974666
"486068"	3030.962266	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+Na"	20.974666
"862532"	1024.303866	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+Na"	20.974666
"1631095"	1024.303866	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na-2H"	20.974666
"108233"	1020.310263	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H+Cl"	33.962126
"546092"	1521.974863	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H+Cl"	33.962126
"929766"	518.645663	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+Cl"	33.962126
"279258"	2041.627802	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Cl"	34.969402
"673864"	3044.957002	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Cl"	34.969402
"1284078"	1038.298602	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl"	34.969402
"21169"	2043.607006	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+K"	36.948606
"462915"	3046.936206	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+K"	36.948606
"840717"	1040.277806	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+K"	36.948606
"1562017"	1040.277806	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K-2H"	36.948606
"945525"	1048.327394	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+HCOOH"	44.998194
"363741"	2051.656601	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+HCOOH-H"	44.998201
"353094"	2065.672251	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Hac-H"	59.013851
"1501932"	1062.343051	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Hac-H"	59.013851
"969474"	1070.309351	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+NaCOOH"	66.980151
"125288"	1038.298602	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Cl"	69.938804
"565452"	1539.963202	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Cl"	69.938804
"1036230"	536.634002	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Cl"	69.938804
"1256057"	1082.248085	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Br"	78.918885
"1315705"	1084.304072	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+HCOOH"	80.974872
"1331013"	1106.286029	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+NaCOOH"	102.956829
"919520"	1116.314786	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+CF3COOH"	112.985586
"1298416"	1152.291464	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+CF3COOH"	148.962264
"1376576"	968.316524	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-2H2O"	-35.012676
"1391886"	986.3265	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-H2O"	-17.0027
"289387"	2007.665676	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H"	1.007276
"687642"	3010.994876	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H"	1.007276
"1364356"	1004.336476	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H"	1.007276
"136516"	1004.336476	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2H"	2.014552
"579357"	1506.001076	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2H"	2.014552
"1050344"	502.671876	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H"	2.014552
"218244"	669.893409333333	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H"	3.021828
"657441"	1004.336476	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+3H"	3.021828
"1177026"	335.450342666667	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3H"	3.021828
"437384"	2024.692223	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+NH4"	18.033823
"796921"	3028.021423	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+NH4"	18.033823
"1691065"	1021.363023	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4"	18.033823
"344454"	1012.8497495	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+NH4"	19.041099
"735779"	1514.5143495	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+NH4"	19.041099
"1490330"	511.1851495	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+NH4"	19.041099
"408165"	2029.647618	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na"	22.989218
"769521"	3032.976818	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na"	22.989218
"1617741"	1026.318418	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na"	22.989218
"323399"	1015.327447	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+Na"	23.996494
"716914"	1516.992047	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+Na"	23.996494
"1475959"	513.662847	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+Na"	23.996494
"1063979"	342.777656666667	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H+Na"	25.00377
"1267845"	1036.362686	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+CH3OH+H"	33.033486
"386422"	2045.621558	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+K"	38.963158
"744139"	3048.950758	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+K"	38.963158
"1548380"	1042.292358	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K"	38.963158
"307744"	1023.314417	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+K"	39.970434
"701260"	1524.979017	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+K"	39.970434
"1452892"	521.649817	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+K"	39.970434
"244775"	2048.692226	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+H"	42.033826
"1220765"	1045.363026	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+H"	42.033826
"1207565"	523.185151	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+2H"	43.041102
"197521"	2051.62956	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na-H"	44.97116
"637083"	3054.95876	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na-H"	44.97116
"1143510"	1048.30036	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na-H"	44.97116
"184615"	1026.318418	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na"	45.978436
"621259"	1527.983018	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na"	45.978436
"1125859"	524.653818	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na"	45.978436
"1407194"	350.104970666667	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+2Na"	46.985712
"1440769"	1050.341946	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+HCOOH"	47.012746
"231559"	1031.35144	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H2O+2H"	56.04448
"1522903"	1064.39399	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+H"	61.06479
"422224"	1034.305388	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na+K"	61.952376
"783218"	1535.969988	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na+K"	61.952376
"1680885"	532.640788	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+K"	61.952376
"266071"	2070.674168	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+Na"	64.015768
"1240845"	1067.344968	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+Na"	64.015768
"1727062"	1067.368493	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+HCOOH"	64.039293
"1192535"	357.432284666667	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3Na"	68.967654
"1662913"	1072.323888	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+HCOOH"	68.994688
"162120"	2083.57744	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K-H"	76.91904
"601680"	3086.90664	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K-H"	76.91904
"1091658"	1080.24824	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K-H"	76.91904
"148476"	1042.292358	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K"	77.926316
"591316"	1543.956958	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K"	77.926316
"1074735"	540.627758	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K"	77.926316
"1105758"	1082.262792	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K+H"	78.933592
"1345422"	1082.350407	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+DMSO+H"	79.021207
"1009580"	1086.389576	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+H"	83.060376
"1527706"	1087.383208	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+Na+H"	84.054008
"994150"	543.698426	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+2H"	84.067652
"1595218"	1088.297828	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+HCOOH"	84.968628
"1423064"	1118.329338	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+CF3COOH"	115.000138
"1151168"	564.211701	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3ACN+2H"	125.094202
"1703999"	1135.355885	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+CF3COOH"	132.026685
"1640742"	1140.31128	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+CF3COOH"	136.98208
"1573116"	1156.28522	"C20996"	"(14E)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+CF3COOH"	152.95602
"810042"	1003.3292	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M"	0
"982481"	984.31081	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H2O-H"	-19.01839
"75100"	667.878857333333	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-3H"	-3.021828
"508097"	1002.321924	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-3H"	-3.021828
"883715"	333.435790666667	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-3H"	-3.021828
"7759"	1002.321924	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H"	-2.014552
"449509"	1503.986524	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H"	-2.014552
"827314"	500.657324	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H"	-2.014552
"93502"	2005.651124	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H"	-1.007276
"534121"	3008.980324	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H"	-1.007276
"907948"	1002.321924	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H"	-1.007276
"60133"	2022.677671	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+NH4"	16.019271
"499695"	3026.006871	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+NH4"	16.019271
"879250"	1019.348471	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+NH4"	16.019271
"45398"	2027.633066	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+Na"	20.974666
"486055"	3030.962266	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+Na"	20.974666
"863865"	1024.303866	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+Na"	20.974666
"1633030"	1024.303866	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na-2H"	20.974666
"109480"	1020.310263	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H+Cl"	33.962126
"548025"	1521.974863	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H+Cl"	33.962126
"930969"	518.645663	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+Cl"	33.962126
"279368"	2041.627802	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Cl"	34.969402
"673974"	3044.957002	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Cl"	34.969402
"1284188"	1038.298602	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl"	34.969402
"24559"	2043.607006	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+K"	36.948606
"461932"	3046.936206	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+K"	36.948606
"839733"	1040.277806	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+K"	36.948606
"1564314"	1040.277806	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K-2H"	36.948606
"946728"	1048.327394	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+HCOOH"	44.998194
"364944"	2051.656601	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+HCOOH-H"	44.998201
"352110"	2065.672251	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Hac-H"	59.013851
"1502042"	1062.343051	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Hac-H"	59.013851
"969584"	1070.309351	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+NaCOOH"	66.980151
"125704"	1038.298602	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Cl"	69.938804
"565442"	1539.963202	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Cl"	69.938804
"1035611"	536.634002	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Cl"	69.938804
"1256412"	1082.248085	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Br"	78.918885
"1316544"	1084.304072	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+HCOOH"	80.974872
"1331852"	1106.286029	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+NaCOOH"	102.956829
"924005"	1116.314786	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+CF3COOH"	112.985586
"1298524"	1152.291464	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+CF3COOH"	148.962264
"1381305"	968.316524	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-2H2O"	-35.012676
"1391632"	986.3265	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-H2O"	-17.0027
"290590"	2007.665676	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H"	1.007276
"686658"	3010.994876	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H"	1.007276
"1363372"	1004.336476	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H"	1.007276
"135533"	1004.336476	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2H"	2.014552
"579467"	1506.001076	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2H"	2.014552
"1050090"	502.671876	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H"	2.014552
"216897"	669.893409333333	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H"	3.021828
"657552"	1004.336476	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+3H"	3.021828
"1175311"	335.450342666667	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3H"	3.021828
"434578"	2024.692223	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+NH4"	18.033823
"793751"	3028.021423	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+NH4"	18.033823
"1691175"	1021.363023	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4"	18.033823
"339459"	1012.8497495	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+NH4"	19.041099
"735889"	1514.5143495	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+NH4"	19.041099
"1492508"	511.1851495	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+NH4"	19.041099
"408190"	2029.647618	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na"	22.989218
"767563"	3032.976818	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na"	22.989218
"1616754"	1026.318418	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na"	22.989218
"324602"	1015.327447	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+Na"	23.996494
"713744"	1516.992047	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+Na"	23.996494
"1470844"	513.662847	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+Na"	23.996494
"1064089"	342.777656666667	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H+Na"	25.00377
"1265768"	1036.362686	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+CH3OH+H"	33.033486
"385437"	2045.621558	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+K"	38.963158
"746436"	3048.950758	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+K"	38.963158
"1551770"	1042.292358	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K"	38.963158
"311134"	1023.314417	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+K"	39.970434
"702463"	1524.979017	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+K"	39.970434
"1456282"	521.649817	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+K"	39.970434
"247072"	2048.692226	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+H"	42.033826
"1223062"	1045.363026	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+H"	42.033826
"1205852"	523.185151	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+2H"	43.041102
"196538"	2051.62956	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na-H"	44.97116
"633912"	3054.95876	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na-H"	44.97116
"1137417"	1048.30036	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na-H"	44.97116
"179615"	1026.318418	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na"	45.978436
"621363"	1527.983018	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na"	45.978436
"1128884"	524.653818	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na"	45.978436
"1410585"	350.104970666667	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+2Na"	46.985712
"1439783"	1050.341946	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+HCOOH"	47.012746
"229115"	1031.35144	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H2O+2H"	56.04448
"1522281"	1064.39399	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+H"	61.06479
"421239"	1034.305388	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na+K"	61.952376
"781869"	1535.969988	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na+K"	61.952376
"1679293"	532.640788	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+K"	61.952376
"265087"	2070.674168	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+Na"	64.015768
"1240958"	1067.344968	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+Na"	64.015768
"1728024"	1067.368493	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+HCOOH"	64.039293
"1191673"	357.432284666667	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3Na"	68.967654
"1664118"	1072.323888	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+HCOOH"	68.994688
"160407"	2083.57744	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K-H"	76.91904
"603977"	3086.90664	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K-H"	76.91904
"1091768"	1080.24824	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K-H"	76.91904
"149680"	1042.292358	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K"	77.926316
"590333"	1543.956958	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K"	77.926316
"1073751"	540.627758	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K"	77.926316
"1105867"	1082.262792	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K+H"	78.933592
"1342252"	1082.350407	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+DMSO+H"	79.021207
"1011875"	1086.389576	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+H"	83.060376
"1530002"	1087.383208	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+Na+H"	84.054008
"994260"	543.698426	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+2H"	84.067652
"1595328"	1088.297828	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+HCOOH"	84.968628
"1422082"	1118.329338	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+CF3COOH"	115.000138
"1151278"	564.211701	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3ACN+2H"	125.094202
"1704109"	1135.355885	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+CF3COOH"	132.026685
"1643039"	1140.31128	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+CF3COOH"	136.98208
"1573226"	1156.28522	"C20997"	"(14Z)-Hexadec-14-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+CF3COOH"	152.95602
"810152"	1003.3292	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M"	0
"981498"	984.31081	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H2O-H"	-19.01839
"75210"	667.878857333333	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-3H"	-3.021828
"507115"	1002.321924	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-3H"	-3.021828
"886012"	333.435790666667	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-3H"	-3.021828
"6776"	1002.321924	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H"	-2.014552
"449619"	1503.986524	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H"	-2.014552
"827424"	500.657324	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H"	-2.014552
"90696"	2005.651124	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H"	-1.007276
"531351"	3008.980324	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H"	-1.007276
"910610"	1002.321924	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H"	-1.007276
"59150"	2022.677671	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+NH4"	16.019271
"498712"	3026.006871	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+NH4"	16.019271
"879552"	1019.348471	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+NH4"	16.019271
"42227"	2027.633066	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+Na"	20.974666
"485070"	3030.962266	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+Na"	20.974666
"861779"	1024.303866	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+Na"	20.974666
"1633261"	1024.303866	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na-2H"	20.974666
"108818"	1020.310263	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H+Cl"	33.962126
"546313"	1521.974863	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H+Cl"	33.962126
"935454"	518.645663	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+Cl"	33.962126
"279476"	2041.627802	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Cl"	34.969402
"672989"	3044.957002	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Cl"	34.969402
"1277738"	1038.298602	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl"	34.969402
"21389"	2043.607006	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+K"	36.948606
"462042"	3046.936206	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+K"	36.948606
"835834"	1040.277806	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+K"	36.948606
"1558957"	1040.277806	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K-2H"	36.948606
"943557"	1048.327394	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+HCOOH"	44.998194
"366148"	2051.656601	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+HCOOH-H"	44.998201
"356231"	2065.672251	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Hac-H"	59.013851
"1502152"	1062.343051	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Hac-H"	59.013851
"969694"	1070.309351	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+NaCOOH"	66.980151
"125389"	1038.298602	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Cl"	69.938804
"565591"	1539.963202	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Cl"	69.938804
"1036894"	536.634002	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Cl"	69.938804
"1256885"	1082.248085	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Br"	78.918885
"1314467"	1084.304072	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+HCOOH"	80.974872
"1329774"	1106.286029	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+NaCOOH"	102.956829
"925573"	1116.314786	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+CF3COOH"	112.985586
"1298634"	1152.291464	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+CF3COOH"	148.962264
"1380444"	968.316524	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-2H2O"	-35.012676
"1388826"	986.3265	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-H2O"	-17.0027
"289607"	2007.665676	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H"	1.007276
"685675"	3010.994876	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H"	1.007276
"1361659"	1004.336476	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H"	1.007276
"136371"	1004.336476	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2H"	2.014552
"580063"	1506.001076	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2H"	2.014552
"1050199"	502.671876	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H"	2.014552
"217006"	669.893409333333	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H"	3.021828
"657297"	1004.336476	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+3H"	3.021828
"1175785"	335.450342666667	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3H"	3.021828
"437239"	2024.692223	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+NH4"	18.033823
"790580"	3028.021423	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+NH4"	18.033823
"1690192"	1021.363023	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4"	18.033823
"345037"	1012.8497495	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+NH4"	19.041099
"736363"	1514.5143495	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+NH4"	19.041099
"1489089"	511.1851495	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+NH4"	19.041099
"408492"	2029.647618	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na"	22.989218
"766579"	3032.976818	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na"	22.989218
"1616136"	1026.318418	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na"	22.989218
"324712"	1015.327447	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+Na"	23.996494
"714947"	1516.992047	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+Na"	23.996494
"1467673"	513.662847	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+Na"	23.996494
"1063106"	342.777656666667	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H+Na"	25.00377
"1264784"	1036.362686	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+CH3OH+H"	33.033486
"384452"	2045.621558	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+K"	38.963158
"743262"	3048.950758	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+K"	38.963158
"1542397"	1042.292358	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K"	38.963158
"302857"	1023.314417	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+K"	39.970434
"698199"	1524.979017	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+K"	39.970434
"1454205"	521.649817	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+K"	39.970434
"240620"	2048.692226	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+H"	42.033826
"1222079"	1045.363026	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+H"	42.033826
"1201588"	523.185151	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+2H"	43.041102
"196648"	2051.62956	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na-H"	44.97116
"634022"	3054.95876	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na-H"	44.97116
"1137526"	1048.30036	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na-H"	44.97116
"179725"	1026.318418	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na"	45.978436
"621473"	1527.983018	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na"	45.978436
"1129723"	524.653818	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na"	45.978436
"1411058"	350.104970666667	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+2Na"	46.985712
"1436977"	1050.341946	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+HCOOH"	47.012746
"231047"	1031.35144	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H2O+2H"	56.04448
"1522755"	1064.39399	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+H"	61.06479
"418795"	1034.305388	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na+K"	61.952376
"781249"	1535.969988	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na+K"	61.952376
"1675392"	532.640788	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+K"	61.952376
"265927"	2070.674168	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+Na"	64.015768
"1240091"	1067.344968	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+Na"	64.015768
"1728173"	1067.368493	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+HCOOH"	64.039293
"1190690"	357.432284666667	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3Na"	68.967654
"1663133"	1072.323888	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+HCOOH"	68.994688
"159788"	2083.57744	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K-H"	76.91904
"602994"	3086.90664	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K-H"	76.91904
"1090784"	1080.24824	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K-H"	76.91904
"147602"	1042.292358	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K"	77.926316
"589348"	1543.956958	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K"	77.926316
"1072768"	540.627758	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K"	77.926316
"1105977"	1082.262792	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K+H"	78.933592
"1343455"	1082.350407	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+DMSO+H"	79.021207
"1014171"	1086.389576	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+H"	83.060376
"1534485"	1087.383208	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+Na+H"	84.054008
"994370"	543.698426	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+2H"	84.067652
"1595438"	1088.297828	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+HCOOH"	84.968628
"1420005"	1118.329338	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+CF3COOH"	115.000138
"1151388"	564.211701	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3ACN+2H"	125.094202
"1704219"	1135.355885	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+CF3COOH"	132.026685
"1642056"	1140.31128	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+CF3COOH"	136.98208
"1574429"	1156.28522	"C20998"	"(11Z)-Hexadec-11-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+CF3COOH"	152.95602
"810262"	1001.3136	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M"	0
"981608"	982.29521	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H2O-H"	-19.01839
"68760"	666.535124	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-3H"	-3.021828
"510504"	1000.306324	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-3H"	-3.021828
"885029"	332.763924	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-3H"	-3.021828
"5793"	1000.306324	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H"	-2.014552
"449729"	1500.963124	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H"	-2.014552
"826441"	499.649524	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H"	-2.014552
"90806"	2001.619924	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-H"	-1.007276
"532553"	3002.933524	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-H"	-1.007276
"909261"	1000.306324	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H"	-1.007276
"59260"	2018.646471	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H+NH4"	16.019271
"501620"	3019.960071	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H+NH4"	16.019271
"877359"	1017.332871	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H+NH4"	16.019271
"45619"	2023.601866	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H+Na"	20.974666
"485671"	3024.915466	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H+Na"	20.974666
"862865"	1022.288266	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H+Na"	20.974666
"1632520"	1022.288266	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na-2H"	20.974666
"107958"	1018.294663	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-H+Cl"	33.962126
"544237"	1518.951463	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-H+Cl"	33.962126
"935564"	517.637863	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+Cl"	33.962126
"280682"	2037.596602	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Cl"	34.969402
"674196"	3038.910202	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+Cl"	34.969402
"1284409"	1036.283002	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl"	34.969402
"24780"	2039.575806	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H+K"	36.948606
"466526"	3040.889406	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H+K"	36.948606
"844327"	1038.262206	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H+K"	36.948606
"1564534"	1038.262206	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K-2H"	36.948606
"950228"	1046.311794	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+HCOOH"	44.998194
"370631"	2047.625401	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+HCOOH-H"	44.998201
"355612"	2061.641051	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Hac-H"	59.013851
"1501169"	1060.327451	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Hac-H"	59.013851
"973086"	1068.293751	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+NaCOOH"	66.980151
"125607"	1036.283002	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2Cl"	69.938804
"565570"	1536.939802	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2Cl"	69.938804
"1036203"	535.626202	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2Cl"	69.938804
"1256511"	1080.232485	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Br"	78.918885
"1312390"	1082.288472	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl+HCOOH"	80.974872
"1331708"	1104.270429	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl+NaCOOH"	102.956829
"922768"	1114.299186	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+CF3COOH"	112.985586
"1298747"	1150.275864	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl+CF3COOH"	148.962264
"1376908"	966.300924	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H-2H2O"	-35.012676
"1388936"	984.3109	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H-H2O"	-17.0027
"290447"	2003.634476	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H"	1.007276
"686150"	3004.948076	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H"	1.007276
"1364687"	1002.320876	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H"	1.007276
"136482"	1002.320876	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2H"	2.014552
"578958"	1502.977676	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2H"	2.014552
"1050310"	501.664076	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2H"	2.014552
"217725"	668.549676	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+3H"	3.021828
"656315"	1002.320876	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+3H"	3.021828
"1174806"	334.778476	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+3H"	3.021828
"435892"	2020.661023	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+NH4"	18.033823
"790690"	3021.974623	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+NH4"	18.033823
"1688115"	1019.347423	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+NH4"	18.033823
"336394"	1010.8341495	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H+NH4"	19.041099
"727723"	1511.4909495	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H+NH4"	19.041099
"1487011"	510.1773495	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+NH4"	19.041099
"406420"	2025.616418	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Na"	22.989218
"765596"	3026.930018	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+Na"	22.989218
"1612600"	1024.302818	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na"	22.989218
"319354"	1013.311847	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H+Na"	23.996494
"707642"	1513.968647	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H+Na"	23.996494
"1463163"	512.655047	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+Na"	23.996494
"1055196"	342.10579	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2H+Na"	25.00377
"1260523"	1034.347086	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+CH3OH+H"	33.033486
"379825"	2041.590358	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+K"	38.963158
"742280"	3042.903958	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+K"	38.963158
"1541051"	1040.276758	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K"	38.963158
"301146"	1021.298817	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H+K"	39.970434
"698309"	1521.955617	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H+K"	39.970434
"1456502"	520.642017	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+K"	39.970434
"244010"	2044.661026	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+ACN+H"	42.033826
"1220003"	1043.347426	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+ACN+H"	42.033826
"1201698"	522.177351	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+ACN+2H"	43.041102
"190559"	2047.59836	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2Na-H"	44.97116
"629267"	3048.91196	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2Na-H"	44.97116
"1132041"	1046.28476	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2Na-H"	44.97116
"176554"	1024.302818	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2Na"	45.978436
"619396"	1524.959618	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2Na"	45.978436
"1129103"	523.646018	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2Na"	45.978436
"1408616"	349.433104	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+2Na"	46.985712
"1439641"	1048.326346	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+HCOOH"	47.012746
"233345"	1029.33584	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+3H2O+2H"	56.04448
"1516303"	1062.37839	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+IsoProp+H"	61.06479
"419268"	1032.289788	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Na+K"	61.952376
"779171"	1532.946588	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+Na+K"	61.952376
"1673315"	531.632988	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na+K"	61.952376
"259835"	2066.642968	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+ACN+Na"	64.015768
"1236192"	1065.329368	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+ACN+Na"	64.015768
"1720338"	1065.352893	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+NH4+HCOOH"	64.039293
"1187881"	356.760418	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+3Na"	68.967654
"1661784"	1070.308288	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na+HCOOH"	68.994688
"157708"	2079.54624	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2K-H"	76.91904
"598726"	3080.85984	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2K-H"	76.91904
"1088707"	1078.23264	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2K-H"	76.91904
"142969"	1040.276758	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2K"	77.926316
"587270"	1540.933558	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2K"	77.926316
"1068564"	539.619958	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2K"	77.926316
"1099933"	1080.247192	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2K+H"	78.933592
"1340284"	1080.334807	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+DMSO+H"	79.021207
"1011001"	1084.373976	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2ACN+H"	83.060376
"1530220"	1085.367608	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+IsoProp+Na+H"	84.054008
"991198"	542.690626	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2ACN+2H"	84.067652
"1590077"	1086.282228	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K+HCOOH"	84.968628
"1419020"	1116.313738	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+CF3COOH"	115.000138
"1149306"	563.203901	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+3ACN+2H"	125.094202
"1701044"	1133.340285	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+NH4+CF3COOH"	132.026685
"1635602"	1138.29568	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na+CF3COOH"	136.98208
"1575632"	1154.26962	"C20999"	"(10E12Z)-Hexadeca-1012-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K+CF3COOH"	152.95602
"812559"	1001.3136	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M"	0
"981718"	982.29521	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H2O-H"	-19.01839
"72150"	666.535124	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-3H"	-3.021828
"514989"	1000.306324	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-3H"	-3.021828
"888421"	332.763924	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-3H"	-3.021828
"6997"	1000.306324	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H"	-2.014552
"452391"	1500.963124	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H"	-2.014552
"825459"	499.649524	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H"	-2.014552
"88729"	2001.619924	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-H"	-1.007276
"530841"	3002.933524	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-H"	-1.007276
"907187"	1000.306324	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H"	-1.007276
"57183"	2018.646471	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H+NH4"	16.019271
"500028"	3019.960071	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H+NH4"	16.019271
"876738"	1017.332871	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H+NH4"	16.019271
"44635"	2023.601866	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H+Na"	20.974666
"483473"	3024.915466	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H+Na"	20.974666
"861275"	1022.288266	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H+Na"	20.974666
"1630443"	1022.288266	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na-2H"	20.974666
"105881"	1018.294663	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-H+Cl"	33.962126
"541066"	1518.951463	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-H+Cl"	33.962126
"933488"	517.637863	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+Cl"	33.962126
"270947"	2037.596602	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Cl"	34.969402
"669929"	3038.910202	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+Cl"	34.969402
"1280145"	1036.283002	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl"	34.969402
"20515"	2039.575806	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M-2H+K"	36.948606
"460075"	3040.889406	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M-2H+K"	36.948606
"835690"	1038.262206	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-2H+K"	36.948606
"1559177"	1038.262206	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K-2H"	36.948606
"945964"	1046.311794	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+HCOOH"	44.998194
"362357"	2047.625401	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+HCOOH-H"	44.998201
"357180"	2061.641051	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Hac-H"	59.013851
"1503465"	1060.327451	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Hac-H"	59.013851
"963352"	1068.293751	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+NaCOOH"	66.980151
"124176"	1036.283002	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2Cl"	69.938804
"565326"	1536.939802	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2Cl"	69.938804
"1036305"	535.626202	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2Cl"	69.938804
"1256858"	1080.232485	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Br"	78.918885
"1314688"	1082.288472	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl+HCOOH"	80.974872
"1334370"	1104.270429	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl+NaCOOH"	102.956829
"922149"	1114.299186	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M-H+CF3COOH"	112.985586
"1298857"	1150.275864	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Cl+CF3COOH"	148.962264
"1379205"	966.300924	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H-2H2O"	-35.012676
"1394515"	984.3109	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H-H2O"	-17.0027
"292015"	2003.634476	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H"	1.007276
"683342"	3004.948076	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H"	1.007276
"1362609"	1002.320876	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H"	1.007276
"137685"	1002.320876	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2H"	2.014552
"579796"	1502.977676	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2H"	2.014552
"1048596"	501.664076	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2H"	2.014552
"217229"	668.549676	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+3H"	3.021828
"656059"	1002.320876	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+3H"	3.021828
"1175524"	334.778476	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+3H"	3.021828
"433086"	2020.661023	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+NH4"	18.033823
"790800"	3021.974623	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+NH4"	18.033823
"1688225"	1019.347423	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+NH4"	18.033823
"343430"	1010.8341495	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H+NH4"	19.041099
"728926"	1511.4909495	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H+NH4"	19.041099
"1489307"	510.1773495	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+NH4"	19.041099
"406652"	2025.616418	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Na"	22.989218
"765708"	3026.930018	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+Na"	22.989218
"1610524"	1024.302818	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na"	22.989218
"318372"	1013.311847	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H+Na"	23.996494
"709699"	1513.968647	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H+Na"	23.996494
"1464250"	512.655047	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+Na"	23.996494
"1058226"	342.10579	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2H+Na"	25.00377
"1265008"	1034.347086	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+CH3OH+H"	33.033486
"383583"	2041.590358	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+K"	38.963158
"739110"	3042.903958	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+K"	38.963158
"1542622"	1040.276758	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K"	38.963158
"301256"	1021.298817	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+H+K"	39.970434
"702429"	1521.955617	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+H+K"	39.970434
"1455519"	520.642017	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+K"	39.970434
"243027"	2044.661026	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+ACN+H"	42.033826
"1216833"	1043.347426	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+ACN+H"	42.033826
"1198527"	522.177351	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+ACN+2H"	43.041102
"193588"	2047.59836	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2Na-H"	44.97116
"637527"	3048.91196	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2Na-H"	44.97116
"1136658"	1046.28476	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2Na-H"	44.97116
"178854"	1024.302818	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2Na"	45.978436
"621697"	1524.959618	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2Na"	45.978436
"1129821"	523.646018	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2Na"	45.978436
"1411278"	349.433104	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+2Na"	46.985712
"1439751"	1048.326346	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+HCOOH"	47.012746
"234184"	1029.33584	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+3H2O+2H"	56.04448
"1522246"	1062.37839	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+IsoProp+H"	61.06479
"420109"	1032.289788	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+Na+K"	61.952376
"778189"	1532.946588	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+Na+K"	61.952376
"1677437"	531.632988	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na+K"	61.952376
"256665"	2066.642968	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+ACN+Na"	64.015768
"1235935"	1065.329368	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+ACN+Na"	64.015768
"1724823"	1065.352893	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+NH4+HCOOH"	64.039293
"1189085"	356.760418	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+3Na"	68.967654
"1661893"	1070.308288	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na+HCOOH"	68.994688
"160373"	2079.54624	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2K-H"	76.91904
"598839"	3080.85984	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2K-H"	76.91904
"1091002"	1078.23264	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2K-H"	76.91904
"143446"	1040.276758	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"2M+2K"	77.926316
"586288"	1540.933558	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"3M+2K"	77.926316
"1071528"	539.619958	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2K"	77.926316
"1101457"	1080.247192	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2K+H"	78.933592
"1340394"	1080.334807	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+DMSO+H"	79.021207
"1016578"	1084.373976	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2ACN+H"	83.060376
"1528143"	1085.367608	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+IsoProp+Na+H"	84.054008
"994590"	542.690626	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+2ACN+2H"	84.067652
"1591280"	1086.282228	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K+HCOOH"	84.968628
"1420223"	1116.313738	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+H+CF3COOH"	115.000138
"1148443"	563.203901	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+3ACN+2H"	125.094202
"1701154"	1133.340285	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+NH4+CF3COOH"	132.026685
"1636807"	1138.29568	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+Na+CF3COOH"	136.98208
"1574649"	1154.26962	"C21000"	"(9Z12Z)-Hexadeca-912-dienoyl-CoA"	"C37H62N7O17P3S"	"1001.3136"	"M+K+CF3COOH"	152.95602
"810482"	234.0528	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M"	0
"986202"	215.03441	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-H2O-H"	-19.01839
"71166"	155.027924	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M-3H"	-3.021828
"508540"	233.045524	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M-3H"	-3.021828
"888529"	77.010324	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-3H"	-3.021828
"9291"	233.045524	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M-2H"	-2.014552
"449945"	350.071924	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M-2H"	-2.014552
"824467"	116.019124	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-2H"	-2.014552
"83367"	467.098324	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M-H"	-1.007276
"527302"	701.151124	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M-H"	-1.007276
"906200"	233.045524	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-H"	-1.007276
"54013"	484.124871	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M-2H+NH4"	16.019271
"500864"	718.177671	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M-2H+NH4"	16.019271
"876844"	250.072071	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-2H+NH4"	16.019271
"41465"	489.080266	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M-2H+Na"	20.974666
"485040"	723.133066	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M-2H+Na"	20.974666
"862111"	255.027466	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-2H+Na"	20.974666
"1632379"	255.027466	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Na-2H"	20.974666
"107449"	251.033863	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M-H+Cl"	33.962126
"541176"	368.060263	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M-H+Cl"	33.962126
"935784"	134.007463	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-H+Cl"	33.962126
"279806"	503.075002	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+Cl"	34.969402
"673319"	737.127802	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+Cl"	34.969402
"1276975"	269.022202	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Cl"	34.969402
"20625"	505.054206	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M-2H+K"	36.948606
"460185"	739.107006	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M-2H+K"	36.948606
"839080"	271.001406	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-2H+K"	36.948606
"1560380"	271.001406	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+K-2H"	36.948606
"948261"	279.050994	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-H+HCOOH"	44.998194
"364654"	513.103801	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+HCOOH-H"	44.998201
"357654"	527.119451	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+Hac-H"	59.013851
"1503575"	293.066651	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Hac-H"	59.013851
"964555"	301.032951	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-H+NaCOOH"	66.980151
"124404"	269.022202	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+2Cl"	69.938804
"564707"	386.048602	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+2Cl"	69.938804
"1036051"	151.995802	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2Cl"	69.938804
"1255633"	312.971685	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Br"	78.918885
"1315892"	315.027672	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Cl+HCOOH"	80.974872
"1330106"	337.009629	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Cl+NaCOOH"	102.956829
"920801"	347.038386	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M-H+CF3COOH"	112.985586
"1298967"	383.015064	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Cl+CF3COOH"	148.962264
"1381868"	199.040124	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H-2H2O"	-35.012676
"1396083"	217.0501	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H-H2O"	-17.0027
"292125"	469.112876	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+H"	1.007276
"682359"	703.165676	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+H"	1.007276
"1364176"	235.060076	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H"	1.007276
"136699"	235.060076	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+2H"	2.014552
"577352"	352.086476	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+2H"	2.014552
"1051985"	118.033676	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2H"	2.014552
"217702"	157.042476	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+3H"	3.021828
"659086"	235.060076	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+3H"	3.021828
"1175999"	79.024876	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+3H"	3.021828
"429913"	486.139423	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+NH4"	18.033823
"788723"	720.192223	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+NH4"	18.033823
"1685055"	252.086623	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+NH4"	18.033823
"340988"	243.5733495	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+H+NH4"	19.041099
"729036"	360.5997495	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+H+NH4"	19.041099
"1489417"	126.5469495	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H+NH4"	19.041099
"405910"	491.094818	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+Na"	22.989218
"767639"	725.147618	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+Na"	22.989218
"1613913"	257.042018	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Na"	22.989218
"318845"	246.051047	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+H+Na"	23.996494
"712725"	363.077447	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+H+Na"	23.996494
"1470192"	129.024647	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H+Na"	23.996494
"1061250"	86.35219	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2H+Na"	25.00377
"1266212"	267.086286	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+CH3OH+H"	33.033486
"382599"	507.068758	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+K"	38.963158
"742500"	741.121558	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+K"	38.963158
"1544554"	273.015958	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+K"	38.963158
"303917"	254.038017	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+H+K"	39.970434
"699624"	371.064417	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+H+K"	39.970434
"1454536"	137.011617	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H+K"	39.970434
"243137"	510.139426	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+ACN+H"	42.033826
"1215848"	276.086626	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+ACN+H"	42.033826
"1197907"	138.546951	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+ACN+2H"	43.041102
"188835"	513.07676	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+2Na-H"	44.97116
"631075"	747.12956	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+2Na-H"	44.97116
"1136768"	279.02396	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2Na-H"	44.97116
"180057"	257.042018	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+2Na"	45.978436
"619984"	374.068418	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+2Na"	45.978436
"1126407"	140.015618	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2Na"	45.978436
"1409929"	93.679504	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H+2Na"	46.985712
"1439861"	281.065546	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H+HCOOH"	47.012746
"232836"	262.07504	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+3H2O+2H"	56.04448
"1519804"	295.11759	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+IsoProp+H"	61.06479
"411107"	265.028988	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+Na+K"	61.952376
"779392"	382.055388	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+Na+K"	61.952376
"1674630"	148.002588	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Na+K"	61.952376
"257868"	532.121368	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+ACN+Na"	64.015768
"1236044"	298.068568	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+ACN+Na"	64.015768
"1723837"	298.092093	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+NH4+HCOOH"	64.039293
"1189194"	101.006818	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+3Na"	68.967654
"1659086"	303.047488	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Na+HCOOH"	68.994688
"161576"	545.02464	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+2K-H"	76.91904
"601135"	779.07744	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+2K-H"	76.91904
"1088926"	310.97184	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2K-H"	76.91904
"143557"	273.015958	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"2M+2K"	77.926316
"584575"	390.042358	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"3M+2K"	77.926316
"1070544"	155.989558	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2K"	77.926316
"1105213"	312.986392	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2K+H"	78.933592
"1343784"	313.074007	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+DMSO+H"	79.021207
"1015595"	317.113176	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2ACN+H"	83.060376
"1532627"	318.106808	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+IsoProp+Na+H"	84.054008
"995792"	159.060226	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+2ACN+2H"	84.067652
"1592485"	319.021428	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+K+HCOOH"	84.968628
"1422520"	349.052938	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+H+CF3COOH"	115.000138
"1151711"	179.573501	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+3ACN+2H"	125.094202
"1699078"	366.079485	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+NH4+CF3COOH"	132.026685
"1636917"	371.03488	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+Na+CF3COOH"	136.98208
"1574759"	387.00882	"C21001"	"2-O3-Dimethylflaviolin"	"C12H10O5"	"234.0528"	"M+K+CF3COOH"	152.95602
"809499"	370.178	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M"	0
"979751"	351.15961	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H2O-H"	-19.01839
"71276"	245.778057333333	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-3H"	-3.021828
"506463"	369.170724	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-3H"	-3.021828
"886450"	122.385390666667	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-3H"	-3.021828
"6121"	369.170724	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H"	-2.014552
"450054"	554.259724	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H"	-2.014552
"824577"	184.081724	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H"	-2.014552
"83477"	739.348724	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-H"	-1.007276
"528505"	1109.526724	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-H"	-1.007276
"906310"	369.170724	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H"	-1.007276
"54123"	756.375271	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H+NH4"	16.019271
"500245"	1126.553271	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H+NH4"	16.019271
"875861"	386.197271	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H+NH4"	16.019271
"41575"	761.330666	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H+Na"	20.974666
"485517"	1131.508666	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H+Na"	20.974666
"862222"	391.152666	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H+Na"	20.974666
"1631757"	391.152666	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na-2H"	20.974666
"108289"	387.159063	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-H+Cl"	33.962126
"544566"	572.248063	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-H+Cl"	33.962126
"934801"	202.070063	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+Cl"	33.962126
"273355"	775.325402	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Cl"	34.969402
"671244"	1145.503402	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+Cl"	34.969402
"1278179"	405.147402	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl"	34.969402
"24016"	777.304606	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H+K"	36.948606
"464670"	1147.482606	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H+K"	36.948606
"847941"	407.126606	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H+K"	36.948606
"1565959"	407.126606	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K-2H"	36.948606
"950560"	415.176194	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+HCOOH"	44.998194
"368774"	785.354201	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+HCOOH-H"	44.998201
"360438"	799.369851	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Hac-H"	59.013851
"1502592"	429.191851	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Hac-H"	59.013851
"966851"	437.158151	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+NaCOOH"	66.980151
"122693"	405.147402	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2Cl"	69.938804
"565132"	590.236402	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2Cl"	69.938804
"1036525"	220.058402	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2Cl"	69.938804
"1256350"	449.096885	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Br"	78.918885
"1318191"	451.152872	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl+HCOOH"	80.974872
"1335283"	473.134829	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl+NaCOOH"	102.956829
"925650"	483.163586	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+CF3COOH"	112.985586
"1301994"	519.140264	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl+CF3COOH"	148.962264
"1381613"	335.165324	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H-2H2O"	-35.012676
"1395464"	353.1753	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H-H2O"	-17.0027
"297339"	741.363276	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H"	1.007276
"690814"	1111.541276	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H"	1.007276
"1364650"	371.185276	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H"	1.007276
"133894"	371.185276	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2H"	2.014552
"578192"	556.274276	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2H"	2.014552
"1049180"	186.096276	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2H"	2.014552
"215986"	247.792609333333	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+3H"	3.021828
"658101"	371.185276	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+3H"	3.021828
"1175502"	124.399942666667	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+3H"	3.021828
"430026"	758.389823	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+NH4"	18.033823
"792114"	1128.567823	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+NH4"	18.033823
"1685165"	388.211823	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+NH4"	18.033823
"334536"	379.6985495	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H+NH4"	19.041099
"731333"	564.7875495	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H+NH4"	19.041099
"1486248"	194.6095495	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+NH4"	19.041099
"408292"	763.345218	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Na"	22.989218
"768110"	1133.523218	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+Na"	22.989218
"1616210"	393.167218	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na"	22.989218
"326246"	382.176247	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H+Na"	23.996494
"714296"	567.265247	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H+Na"	23.996494
"1471398"	197.087247	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+Na"	23.996494
"1061364"	131.727256666667	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2H+Na"	25.00377
"1268509"	403.211486	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+CH3OH+H"	33.033486
"391095"	779.319158	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+K"	38.963158
"742612"	1149.497158	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+K"	38.963158
"1549040"	409.141158	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K"	38.963158
"311683"	390.163217	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H+K"	39.970434
"704475"	575.252217	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H+K"	39.970434
"1455740"	205.074217	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+K"	39.970434
"245435"	782.389826	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+ACN+H"	42.033826
"1220332"	412.211826	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+ACN+H"	42.033826
"1196560"	206.609551	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+ACN+2H"	43.041102
"189433"	785.32716	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2Na-H"	44.97116
"640665"	1155.50516	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2Na-H"	44.97116
"1142347"	415.14916	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2Na-H"	44.97116
"183449"	393.167218	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2Na"	45.978436
"624105"	578.256218	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2Na"	45.978436
"1126518"	208.078218	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2Na"	45.978436
"1407855"	139.054570666667	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+2Na"	46.985712
"1439971"	417.190746	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+HCOOH"	47.012746
"233312"	398.20024	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+3H2O+2H"	56.04448
"1516634"	431.24279	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+IsoProp+H"	61.06479
"417413"	401.154188	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Na+K"	61.952376
"778408"	586.243188	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+Na+K"	61.952376
"1675832"	216.065188	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na+K"	61.952376
"264174"	804.371768	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+ACN+Na"	64.015768
"1231778"	434.193768	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+ACN+Na"	64.015768
"1722853"	434.217293	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+NH4+HCOOH"	64.039293
"1188208"	146.381884666667	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+3Na"	68.967654
"1663205"	439.172688	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na+HCOOH"	68.994688
"161685"	817.27504	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2K-H"	76.91904
"601246"	1187.45304	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2K-H"	76.91904
"1089035"	447.09704	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2K-H"	76.91904
"145125"	409.141158	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2K"	77.926316
"584321"	594.230158	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2K"	77.926316
"1073208"	224.052158	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2K"	77.926316
"1105323"	449.111592	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2K+H"	78.933592
"1342801"	449.199207	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+DMSO+H"	79.021207
"1014610"	453.238376	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2ACN+H"	83.060376
"1536017"	454.232008	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+IsoProp+Na+H"	84.054008
"994811"	227.122826	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2ACN+2H"	84.067652
"1593689"	455.146628	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K+HCOOH"	84.968628
"1417161"	485.178138	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+CF3COOH"	115.000138
"1149997"	247.636101	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+3ACN+2H"	125.094202
"1700281"	502.204685	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+NH4+CF3COOH"	132.026685
"1635934"	507.16008	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na+CF3COOH"	136.98208
"1574869"	523.13402	"C21002"	"6-Linalyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K+CF3COOH"	152.95602
"810702"	370.178	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M"	0
"986422"	351.15961	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H2O-H"	-19.01839
"74666"	245.778057333333	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-3H"	-3.021828
"514227"	369.170724	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-3H"	-3.021828
"888749"	122.385390666667	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-3H"	-3.021828
"9511"	369.170724	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H"	-2.014552
"443606"	554.259724	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H"	-2.014552
"822503"	184.081724	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H"	-2.014552
"83588"	739.348724	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-H"	-1.007276
"527522"	1109.526724	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-H"	-1.007276
"902045"	369.170724	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H"	-1.007276
"61646"	756.375271	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H+NH4"	16.019271
"492700"	1126.553271	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H+NH4"	16.019271
"879133"	386.197271	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H+NH4"	16.019271
"46061"	761.330666	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H+Na"	20.974666
"485509"	1131.508666	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H+Na"	20.974666
"862340"	391.152666	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H+Na"	20.974666
"1632478"	391.152666	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na-2H"	20.974666
"108279"	387.159063	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-H+Cl"	33.962126
"547233"	572.248063	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-H+Cl"	33.962126
"939285"	202.070063	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+Cl"	33.962126
"276746"	775.325402	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Cl"	34.969402
"669167"	1145.503402	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+Cl"	34.969402
"1281571"	405.147402	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl"	34.969402
"26314"	777.304606	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M-2H+K"	36.948606
"469520"	1147.482606	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M-2H+K"	36.948606
"846593"	407.126606	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-2H+K"	36.948606
"1570446"	407.126606	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K-2H"	36.948606
"953223"	415.176194	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+HCOOH"	44.998194
"366698"	785.354201	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+HCOOH-H"	44.998201
"359333"	799.369851	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Hac-H"	59.013851
"1502702"	429.191851	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Hac-H"	59.013851
"966962"	437.158151	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+NaCOOH"	66.980151
"123531"	405.147402	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2Cl"	69.938804
"564918"	590.236402	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2Cl"	69.938804
"1036030"	220.058402	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2Cl"	69.938804
"1256336"	449.096885	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Br"	78.918885
"1317937"	451.152872	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl+HCOOH"	80.974872
"1334341"	473.134829	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl+NaCOOH"	102.956829
"923937"	483.163586	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M-H+CF3COOH"	112.985586
"1299187"	519.140264	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Cl+CF3COOH"	148.962264
"1382089"	335.165324	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H-2H2O"	-35.012676
"1396910"	353.1753	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H-H2O"	-17.0027
"294532"	741.363276	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H"	1.007276
"685858"	1111.541276	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H"	1.007276
"1361842"	371.185276	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H"	1.007276
"136919"	371.185276	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2H"	2.014552
"580493"	556.274276	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2H"	2.014552
"1051113"	186.096276	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2H"	2.014552
"217557"	247.792609333333	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+3H"	3.021828
"658459"	371.185276	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+3H"	3.021828
"1174518"	124.399942666667	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+3H"	3.021828
"425031"	758.389823	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+NH4"	18.033823
"786756"	1128.567823	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+NH4"	18.033823
"1685274"	388.211823	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+NH4"	18.033823
"334646"	379.6985495	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H+NH4"	19.041099
"734722"	564.7875495	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H+NH4"	19.041099
"1492641"	194.6095495	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+NH4"	19.041099
"408035"	763.345218	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Na"	22.989218
"769868"	1133.523218	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+Na"	22.989218
"1617292"	393.167218	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na"	22.989218
"323076"	382.176247	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H+Na"	23.996494
"717688"	567.265247	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H+Na"	23.996494
"1471509"	197.087247	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+Na"	23.996494
"1062568"	131.727256666667	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2H+Na"	25.00377
"1270443"	403.211486	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+CH3OH+H"	33.033486
"387195"	779.319158	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+K"	38.963158
"748189"	1149.497158	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+K"	38.963158
"1550242"	409.141158	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K"	38.963158
"307418"	390.163217	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+H+K"	39.970434
"704584"	575.252217	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+H+K"	39.970434
"1455850"	205.074217	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+K"	39.970434
"247732"	782.389826	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+ACN+H"	42.033826
"1217163"	412.211826	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+ACN+H"	42.033826
"1197764"	206.609551	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+ACN+2H"	43.041102
"189296"	785.32716	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2Na-H"	44.97116
"641139"	1155.50516	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2Na-H"	44.97116
"1143551"	415.14916	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2Na-H"	44.97116
"184654"	393.167218	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2Na"	45.978436
"625309"	578.256218	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2Na"	45.978436
"1124441"	208.078218	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2Na"	45.978436
"1407966"	139.054570666667	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+2Na"	46.985712
"1441906"	417.190746	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+HCOOH"	47.012746
"234516"	398.20024	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+3H2O+2H"	56.04448
"1522576"	431.24279	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+IsoProp+H"	61.06479
"419711"	401.154188	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+Na+K"	61.952376
"783258"	586.243188	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+Na+K"	61.952376
"1678131"	216.065188	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na+K"	61.952376
"265014"	804.371768	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+ACN+Na"	64.015768
"1237359"	434.193768	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+ACN+Na"	64.015768
"1724058"	434.217293	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+NH4+HCOOH"	64.039293
"1191238"	146.381884666667	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+3Na"	68.967654
"1662587"	439.172688	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na+HCOOH"	68.994688
"163982"	817.27504	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2K-H"	76.91904
"603544"	1187.45304	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2K-H"	76.91904
"1093521"	447.09704	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2K-H"	76.91904
"148152"	409.141158	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"2M+2K"	77.926316
"587713"	594.230158	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"3M+2K"	77.926316
"1070766"	224.052158	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2K"	77.926316
"1109808"	449.111592	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2K+H"	78.933592
"1342912"	449.199207	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+DMSO+H"	79.021207
"1018976"	453.238376	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2ACN+H"	83.060376
"1535036"	454.232008	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+IsoProp+Na+H"	84.054008
"999296"	227.122826	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+2ACN+2H"	84.067652
"1597079"	455.146628	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K+HCOOH"	84.968628
"1420554"	485.178138	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+H+CF3COOH"	115.000138
"1151936"	247.636101	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+3ACN+2H"	125.094202
"1704767"	502.204685	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+NH4+CF3COOH"	132.026685
"1636042"	507.16008	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+Na+CF3COOH"	136.98208
"1576072"	523.13402	"C21003"	"7-O-Geranyl-2-O3-dimethylflaviolin"	"C22H26O5"	"370.178"	"M+K+CF3COOH"	152.95602
"809719"	188.2001	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M"	0
"976691"	169.18171	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-H2O-H"	-19.01839
"68216"	124.459457333333	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M-3H"	-3.021828
"512150"	187.192824	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M-3H"	-3.021828
"883392"	61.7260906666667	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-3H"	-3.021828
"4154"	187.192824	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M-2H"	-2.014552
"443716"	281.292874	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M-2H"	-2.014552
"821520"	93.092774	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-2H"	-2.014552
"80418"	375.392924	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M-H"	-1.007276
"524352"	563.593024	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M-H"	-1.007276
"897781"	187.192824	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-H"	-1.007276
"52156"	392.419471	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M-2H+NH4"	16.019271
"489893"	580.619571	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M-2H+NH4"	16.019271
"873895"	204.219371	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-2H+NH4"	16.019271
"46171"	397.374866	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M-2H+Na"	20.974666
"485011"	585.574966	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M-2H+Na"	20.974666
"862815"	209.174766	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-2H+Na"	20.974666
"1632345"	209.174766	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Na-2H"	20.974666
"108388"	205.181163	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M-H+Cl"	33.962126
"547341"	299.281213	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M-H+Cl"	33.962126
"937209"	111.081113	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-H+Cl"	33.962126
"275763"	411.369602	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+Cl"	34.969402
"669277"	599.569702	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+Cl"	34.969402
"1282775"	223.169502	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Cl"	34.969402
"27517"	413.348806	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M-2H+K"	36.948606
"469630"	601.548906	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M-2H+K"	36.948606
"845609"	225.148706	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-2H+K"	36.948606
"1567639"	225.148706	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+K-2H"	36.948606
"952968"	233.198294	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-H+HCOOH"	44.998194
"366808"	421.398401	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+HCOOH-H"	44.998201
"349600"	435.414051	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+Hac-H"	59.013851
"1500625"	247.213951	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Hac-H"	59.013851
"968165"	255.180251	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-H+NaCOOH"	66.980151
"124369"	223.169502	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+2Cl"	69.938804
"565232"	317.269552	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+2Cl"	69.938804
"1036704"	129.069452	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2Cl"	69.938804
"1256649"	267.118985	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Br"	78.918885
"1318777"	269.174972	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Cl+HCOOH"	80.974872
"1334447"	291.156929	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Cl+NaCOOH"	102.956829
"924775"	301.185686	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M-H+CF3COOH"	112.985586
"1300390"	337.162364	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Cl+CF3COOH"	148.962264
"1382605"	153.187424	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H-2H2O"	-35.012676
"1397384"	171.1974	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H-H2O"	-17.0027
"297194"	377.407476	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+H"	1.007276
"687062"	565.607576	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+H"	1.007276
"1359037"	189.207376	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H"	1.007276
"137029"	189.207376	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+2H"	2.014552
"577317"	283.307426	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+2H"	2.014552
"1051588"	95.107326	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2H"	2.014552
"216938"	126.474009333333	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+3H"	3.021828
"657593"	189.207376	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+3H"	3.021828
"1177539"	63.7406426666667	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+3H"	3.021828
"425139"	394.434023	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+NH4"	18.033823
"786860"	582.634123	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+NH4"	18.033823
"1681407"	206.233923	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+NH4"	18.033823
"331475"	197.7206495	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+H+NH4"	19.041099
"734832"	291.8206995	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+H+NH4"	19.041099
"1491935"	103.6205995	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H+NH4"	19.041099
"406240"	399.389418	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+Na"	22.989218
"767236"	587.589518	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+Na"	22.989218
"1617523"	211.189318	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Na"	22.989218
"323186"	200.198347	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+H+Na"	23.996494
"716704"	294.298397	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+H+Na"	23.996494
"1473807"	106.098297	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H+Na"	23.996494
"1062678"	71.0679566666667	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2H+Na"	25.00377
"1272012"	221.233586	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+CH3OH+H"	33.033486
"390585"	415.363358	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+K"	38.963158
"748299"	603.563458	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+K"	38.963158
"1549258"	227.163258	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+K"	38.963158
"308621"	208.185317	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+H+K"	39.970434
"702143"	302.285367	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+H+K"	39.970434
"1457054"	114.085267	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H+K"	39.970434
"244563"	418.434026	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+ACN+H"	42.033826
"1216180"	230.233926	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+ACN+H"	42.033826
"1195688"	115.620601	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+ACN+2H"	43.041102
"188840"	421.37136	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+2Na-H"	44.97116
"640885"	609.57146	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+2Na-H"	44.97116
"1145120"	233.17126	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2Na-H"	44.97116
"185858"	211.189318	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+2Na"	45.978436
"625422"	305.289368	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+2Na"	45.978436
"1124551"	117.089268	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2Na"	45.978436
"1408076"	78.3952706666667	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H+2Na"	46.985712
"1442379"	235.212846	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H+HCOOH"	47.012746
"234262"	216.22234	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+3H2O+2H"	56.04448
"1521593"	249.26489	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+IsoProp+H"	61.06479
"419821"	219.176288	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+Na+K"	61.952376
"783732"	313.276338	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+Na+K"	61.952376
"1677876"	125.076238	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Na+K"	61.952376
"265488"	440.415968	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+ACN+Na"	64.015768
"1239655"	252.215868	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+ACN+Na"	64.015768
"1724168"	252.239393	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+NH4+HCOOH"	64.039293
"1194148"	85.7225846666667	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+3Na"	68.967654
"1661604"	257.194788	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Na+HCOOH"	68.994688
"162998"	453.31924	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+2K-H"	76.91904
"604747"	641.51934	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+2K-H"	76.91904
"1092537"	265.11914	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2K-H"	76.91904
"148261"	227.163258	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"2M+2K"	77.926316
"585999"	321.263308	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"3M+2K"	77.926316
"1076708"	133.063208	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2K"	77.926316
"1108824"	267.133692	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2K+H"	78.933592
"1343022"	267.221307	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+DMSO+H"	79.021207
"1019206"	271.260476	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2ACN+H"	83.060376
"1532959"	272.254108	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+IsoProp+Na+H"	84.054008
"995032"	136.133876	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+2ACN+2H"	84.067652
"1590629"	273.168728	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+K+HCOOH"	84.968628
"1418477"	303.200238	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+H+CF3COOH"	115.000138
"1148766"	156.647151	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+3ACN+2H"	125.094202
"1702690"	320.226785	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+NH4+CF3COOH"	132.026685
"1634328"	325.18218	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+Na+CF3COOH"	136.98208
"1576182"	341.15612	"C21004"	"Norspermine;NN-Bis(3-aminopropyl)-13-propanediamine"	"C9H24N4"	"188.2001"	"M+K+CF3COOH"	152.95602
"810922"	1047.3554	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M"	0
"976801"	1028.33701	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H2O-H"	-19.01839
"68326"	697.229657333333	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-3H"	-3.021828
"506793"	1046.348124	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-3H"	-3.021828
"883502"	348.111190666667	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-3H"	-3.021828
"4264"	1046.348124	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H"	-2.014552
"443826"	1570.025824	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H"	-2.014552
"822723"	522.670424	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H"	-2.014552
"80528"	2093.703524	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-H"	-1.007276
"523368"	3141.058924	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-H"	-1.007276
"898985"	1046.348124	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H"	-1.007276
"53359"	2110.730071	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H+NH4"	16.019271
"488910"	3158.085471	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H+NH4"	16.019271
"874005"	1063.374671	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H+NH4"	16.019271
"44825"	2115.685466	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H+Na"	20.974666
"486215"	3163.040866	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H+Na"	20.974666
"863289"	1068.330066	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H+Na"	20.974666
"1632456"	1068.330066	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na-2H"	20.974666
"109107"	1064.336463	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-H+Cl"	33.962126
"543805"	1588.014163	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-H+Cl"	33.962126
"937320"	540.658763	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+Cl"	33.962126
"278059"	2129.680202	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Cl"	34.969402
"670480"	3177.035602	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+Cl"	34.969402
"1283977"	1082.324802	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl"	34.969402
"27627"	2131.659406	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M-2H+K"	36.948606
"467189"	3179.014806	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M-2H+K"	36.948606
"847542"	1084.304006	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-2H+K"	36.948606
"1569572"	1084.304006	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K-2H"	36.948606
"952714"	1092.353594	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+HCOOH"	44.998194
"366918"	2139.709001	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+HCOOH-H"	44.998201
"351897"	2153.724651	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Hac-H"	59.013851
"1499641"	1106.369251	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Hac-H"	59.013851
"968275"	1114.335551	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+NaCOOH"	66.980151
"123387"	1082.324802	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2Cl"	69.938804
"565139"	1606.002502	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2Cl"	69.938804
"1036123"	558.647102	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2Cl"	69.938804
"1256067"	1126.274285	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Br"	78.918885
"1318154"	1128.330272	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl+HCOOH"	80.974872
"1334557"	1150.312229	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl+NaCOOH"	102.956829
"926832"	1160.340986	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M-H+CF3COOH"	112.985586
"1303785"	1196.317664	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Cl+CF3COOH"	148.962264
"1381336"	1012.342724	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H-2H2O"	-35.012676
"1397982"	1030.3527	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H-H2O"	-17.0027
"294750"	2095.718076	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H"	1.007276
"683891"	3143.073476	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H"	1.007276
"1362062"	1048.362676	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H"	1.007276
"137139"	1048.362676	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2H"	2.014552
"574875"	1572.040376	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2H"	2.014552
"1051942"	524.684976	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2H"	2.014552
"218141"	699.244209333333	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+3H"	3.021828
"659159"	1048.362676	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+3H"	3.021828
"1175826"	350.125742666667	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+3H"	3.021828
"424886"	2112.744623	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+NH4"	18.033823
"786242"	3160.100023	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+NH4"	18.033823
"1681840"	1065.389223	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+NH4"	18.033823
"331585"	1056.8759495	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H+NH4"	19.041099
"734942"	1580.5536495	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H+NH4"	19.041099
"1490952"	533.1982495	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+NH4"	19.041099
"406350"	2117.700018	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Na"	22.989218
"765159"	3165.055418	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+Na"	22.989218
"1614353"	1070.344618	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na"	22.989218
"323296"	1059.353647	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H+Na"	23.996494
"715721"	1583.031347	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H+Na"	23.996494
"1473917"	535.675947	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+Na"	23.996494
"1062788"	357.453056666667	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2H+Na"	25.00377
"1271637"	1080.388886	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+CH3OH+H"	33.033486
"387415"	2133.673958	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+K"	38.963158
"749501"	3181.029358	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+K"	38.963158
"1548275"	1086.318558	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K"	38.963158
"307638"	1067.340617	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+H+K"	39.970434
"698968"	1591.018317	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+H+K"	39.970434
"1451696"	543.662917	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+K"	39.970434
"243578"	2136.744626	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+ACN+H"	42.033826
"1214466"	1089.389226	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+ACN+H"	42.033826
"1198347"	545.198251	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+ACN+2H"	43.041102
"188590"	2139.68196	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2Na-H"	44.97116
"640994"	3187.03736	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2Na-H"	44.97116
"1144866"	1092.32656	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2Na-H"	44.97116
"184874"	1070.344618	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2Na"	45.978436
"625895"	1594.022318	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2Na"	45.978436
"1123568"	546.666918	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2Na"	45.978436
"1409280"	364.780370666667	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+2Na"	46.985712
"1438115"	1094.368146	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+HCOOH"	47.012746
"232914"	1075.37764	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+3H2O+2H"	56.04448
"1520974"	1108.42019	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+IsoProp+H"	61.06479
"417744"	1078.331588	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+Na+K"	61.952376
"784209"	1602.009288	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+Na+K"	61.952376
"1678715"	554.653888	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na+K"	61.952376
"265598"	2158.726568	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+ACN+Na"	64.015768
"1239037"	1111.371168	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+ACN+Na"	64.015768
"1724278"	1111.394693	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+NH4+HCOOH"	64.039293
"1190363"	372.107684666667	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+3Na"	68.967654
"1661713"	1116.350088	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na+HCOOH"	68.994688
"167481"	2171.62984	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2K-H"	76.91904
"603762"	3218.98524	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2K-H"	76.91904
"1092647"	1124.27444	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2K-H"	76.91904
"146184"	1086.318558	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"2M+2K"	77.926316
"583922"	1609.996258	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"3M+2K"	77.926316
"1073537"	562.640858	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2K"	77.926316
"1110027"	1126.288992	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2K+H"	78.933592
"1344225"	1126.376607	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+DMSO+H"	79.021207
"1017129"	1130.415776	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2ACN+H"	83.060376
"1533069"	1131.409408	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+IsoProp+Na+H"	84.054008
"994049"	565.711526	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+2ACN+2H"	84.067652
"1590739"	1132.324028	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K+HCOOH"	84.968628
"1417494"	1162.355538	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+H+CF3COOH"	115.000138
"1149969"	586.224801	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+3ACN+2H"	125.094202
"1702800"	1179.382085	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+NH4+CF3COOH"	132.026685
"1634560"	1184.33748	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+Na+CF3COOH"	136.98208
"1576292"	1200.31142	"C21005"	"18-Hydroxyoleoyl-CoA"	"C39H68N7O18P3S"	"1047.3554"	"M+K+CF3COOH"	152.95602
"811032"	1045.3398	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M"	0
"976911"	1026.32141	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-H2O-H"	-19.01839
"68436"	695.885924	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M-3H"	-3.021828
"506903"	1044.332524	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M-3H"	-3.021828
"883612"	347.439324	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-3H"	-3.021828
"4374"	1044.332524	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M-2H"	-2.014552
"442843"	1567.002424	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M-2H"	-2.014552
"819553"	521.662624	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-2H"	-2.014552
"80638"	2089.672324	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M-H"	-1.007276
"520198"	3135.012124	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M-H"	-1.007276
"899095"	1044.332524	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-H"	-1.007276
"47999"	2106.698871	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M-2H+NH4"	16.019271
"490837"	3152.038671	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M-2H+NH4"	16.019271
"868645"	1061.359071	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-2H+NH4"	16.019271
"35454"	2111.654266	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M-2H+Na"	20.974666
"483401"	3156.994066	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M-2H+Na"	20.974666
"861932"	1066.314466	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-2H+Na"	20.974666
"1632200"	1066.314466	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Na-2H"	20.974666
"107271"	1062.320863	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M-H+Cl"	33.962126
"548291"	1584.990763	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M-H+Cl"	33.962126
"939252"	539.650963	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-H+Cl"	33.962126
"274890"	2125.649002	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+Cl"	34.969402
"669498"	3170.988802	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+Cl"	34.969402
"1277526"	1080.309202	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Cl"	34.969402
"22269"	2127.628206	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M-2H+K"	36.948606
"465110"	3172.968006	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M-2H+K"	36.948606
"846194"	1082.288406	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-2H+K"	36.948606
"1568589"	1082.288406	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+K-2H"	36.948606
"953188"	1090.337994	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-H+HCOOH"	44.998194
"365935"	2135.677801	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+HCOOH-H"	44.998201
"349820"	2149.693451	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+Hac-H"	59.013851
"1499750"	1104.353651	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Hac-H"	59.013851
"966196"	1112.319951	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-H+NaCOOH"	66.980151
"118390"	1080.309202	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+2Cl"	69.938804
"564155"	1602.979102	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+2Cl"	69.938804
"1035506"	557.639302	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2Cl"	69.938804
"1253986"	1124.258685	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Br"	78.918885
"1319362"	1126.314672	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Cl+HCOOH"	80.974872
"1334670"	1148.296629	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Cl+NaCOOH"	102.956829
"926782"	1158.325386	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M-H+CF3COOH"	112.985586
"1303899"	1194.302064	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Cl+CF3COOH"	148.962264
"1382383"	1010.327124	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H-2H2O"	-35.012676
"1397856"	1028.3371	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H-H2O"	-17.0027
"294860"	2091.686876	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+H"	1.007276
"684001"	3137.026676	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+H"	1.007276
"1361443"	1046.347076	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H"	1.007276
"140529"	1046.347076	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+2H"	2.014552
"577537"	1569.016976	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+2H"	2.014552
"1049258"	523.677176	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2H"	2.014552
"218859"	697.900476	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+3H"	3.021828
"658907"	1046.347076	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+3H"	3.021828
"1177031"	349.453876	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+3H"	3.021828
"427181"	2108.713423	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+NH4"	18.033823
"786718"	3154.053223	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+NH4"	18.033823
"1682319"	1063.373623	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+NH4"	18.033823
"331694"	1054.8603495	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+H+NH4"	19.041099
"735052"	1577.5302495	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+H+NH4"	19.041099
"1489968"	532.1904495	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H+NH4"	19.041099
"406460"	2113.668818	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+Na"	22.989218
"768428"	3159.008618	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+Na"	22.989218
"1613370"	1068.329018	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Na"	22.989218
"322312"	1057.338047	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+H+Na"	23.996494
"715831"	1580.007947	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+H+Na"	23.996494
"1470746"	534.668147	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H+Na"	23.996494
"1062898"	356.78119	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2H+Na"	25.00377
"1270046"	1078.373286	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+CH3OH+H"	33.033486
"388620"	2129.642758	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+K"	38.963158
"749612"	3174.982558	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+K"	38.963158
"1549478"	1084.302958	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+K"	38.963158
"308841"	1065.325017	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+H+K"	39.970434
"699079"	1587.994917	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+H+K"	39.970434
"1452899"	542.655117	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H+K"	39.970434
"243688"	2132.713426	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+ACN+H"	42.033826
"1213483"	1087.373626	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+ACN+H"	42.033826
"1199551"	544.190451	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+ACN+2H"	43.041102
"188728"	2135.65076	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+2Na-H"	44.97116
"641104"	3180.99056	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+2Na-H"	44.97116
"1143881"	1090.31096	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2Na-H"	44.97116
"186079"	1068.329018	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+2Na"	45.978436
"625640"	1590.998918	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+2Na"	45.978436
"1128052"	545.659118	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2Na"	45.978436
"1411942"	364.108504	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H+2Na"	46.985712
"1440412"	1092.352546	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H+HCOOH"	47.012746
"233752"	1073.36204	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+3H2O+2H"	56.04448
"1521816"	1106.40459	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+IsoProp+H"	61.06479
"422595"	1076.315988	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+Na+K"	61.952376
"784562"	1598.985888	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+Na+K"	61.952376
"1678460"	553.646088	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Na+K"	61.952376
"264615"	2154.695368	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+ACN+Na"	64.015768
"1238782"	1109.355568	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+ACN+Na"	64.015768
"1724388"	1109.379093	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+NH4+HCOOH"	64.039293
"1191932"	371.435818	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+3Na"	68.967654
"1663770"	1114.334488	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Na+HCOOH"	68.994688
"167592"	2167.59864	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+2K-H"	76.91904
"603874"	3212.93844	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+2K-H"	76.91904
"1093850"	1122.25884	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2K-H"	76.91904
"147388"	1084.302958	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"2M+2K"	77.926316
"585855"	1606.972858	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"3M+2K"	77.926316
"1074741"	561.633058	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2K"	77.926316
"1109043"	1124.273392	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2K+H"	78.933592
"1346522"	1124.361007	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+DMSO+H"	79.021207
"1017239"	1128.400176	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2ACN+H"	83.060376
"1534272"	1129.393808	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+IsoProp+Na+H"	84.054008
"993066"	564.703726	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+2ACN+2H"	84.067652
"1590849"	1130.308428	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+K+HCOOH"	84.968628
"1418697"	1160.339938	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+H+CF3COOH"	115.000138
"1150079"	585.217001	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+3ACN+2H"	125.094202
"1702910"	1177.366485	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+NH4+CF3COOH"	132.026685
"1635276"	1182.32188	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+Na+CF3COOH"	136.98208
"1576402"	1198.29582	"C21006"	"18-Hydroxylinoleoyl-CoA"	"C39H66N7O18P3S"	"1045.3398"	"M+K+CF3COOH"	152.95602
"811142"	257.1124	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M"	0
"981396"	238.09401	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-H2O-H"	-19.01839
"69640"	170.400990666667	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M-3H"	-3.021828
"507013"	256.105124	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M-3H"	-3.021828
"883722"	84.6968573333333	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-3H"	-3.021828
"2298"	256.105124	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M-2H"	-2.014552
"446233"	384.661324	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M-2H"	-2.014552
"819663"	127.548924	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-2H"	-2.014552
"79531"	513.217524	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M-H"	-1.007276
"520672"	770.329924	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M-H"	-1.007276
"901392"	256.105124	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-H"	-1.007276
"53579"	530.244071	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M-2H+NH4"	16.019271
"489855"	787.356471	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M-2H+NH4"	16.019271
"869849"	273.131671	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-2H+NH4"	16.019271
"37753"	535.199466	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M-2H+Na"	20.974666
"481689"	792.311866	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M-2H+Na"	20.974666
"862048"	278.087066	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-2H+Na"	20.974666
"1632311"	278.087066	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Na-2H"	20.974666
"105559"	274.093463	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M-H+Cl"	33.962126
"544755"	402.649663	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M-H+Cl"	33.962126
"937538"	145.537263	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-H+Cl"	33.962126
"274999"	549.194202	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+Cl"	34.969402
"672526"	806.306602	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+Cl"	34.969402
"1283103"	292.081802	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Cl"	34.969402
"26754"	551.173406	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M-2H+K"	36.948606
"468500"	808.285806	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M-2H+K"	36.948606
"844116"	294.061006	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-2H+K"	36.948606
"1569790"	294.061006	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+K-2H"	36.948606
"953298"	302.110594	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-H+HCOOH"	44.998194
"373701"	559.223001	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+HCOOH-H"	44.998201
"349930"	573.238651	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+Hac-H"	59.013851
"1500953"	316.126251	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Hac-H"	59.013851
"967399"	324.092551	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-H+NaCOOH"	66.980151
"120686"	292.081802	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+2Cl"	69.938804
"564265"	420.638002	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+2Cl"	69.938804
"1035614"	163.525602	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2Cl"	69.938804
"1253367"	336.031285	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Br"	78.918885
"1319862"	338.087272	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Cl+HCOOH"	80.974872
"1334537"	360.069229	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Cl+NaCOOH"	102.956829
"925957"	370.097986	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M-H+CF3COOH"	112.985586
"1302904"	406.074664	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Cl+CF3COOH"	148.962264
"1382410"	222.099724	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H-2H2O"	-35.012676
"1398403"	240.1097	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H-H2O"	-17.0027
"293877"	515.232076	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+H"	1.007276
"684111"	772.344476	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+H"	1.007276
"1366768"	258.119676	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H"	1.007276
"141288"	258.119676	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+2H"	2.014552
"581283"	386.675876	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+2H"	2.014552
"1051554"	129.563476	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2H"	2.014552
"219575"	172.415542666667	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+3H"	3.021828
"655368"	258.119676	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+3H"	3.021828
"1178348"	86.7114093333333	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+3H"	3.021828
"429477"	532.258623	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+NH4"	18.033823
"789379"	789.371023	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+NH4"	18.033823
"1690083"	275.146223	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+NH4"	18.033823
"338362"	266.6329495	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+H+NH4"	19.041099
"735161"	395.1891495	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+H+NH4"	19.041099
"1491900"	138.0767495	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H+NH4"	19.041099
"408111"	537.214018	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+Na"	22.989218
"769556"	794.326418	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+Na"	22.989218
"1618142"	280.101618	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Na"	22.989218
"322422"	269.110647	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+H+Na"	23.996494
"713754"	397.666847	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+H+Na"	23.996494
"1475230"	140.554447	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H+Na"	23.996494
"1066288"	94.0387233333333	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2H+Na"	25.00377
"1271129"	290.145886	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+CH3OH+H"	33.033486
"389822"	553.187958	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+K"	38.963158
"750815"	810.300358	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+K"	38.963158
"1550683"	296.075558	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+K"	38.963158
"310046"	277.097617	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+H+K"	39.970434
"699188"	405.653817	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+H+K"	39.970434
"1456290"	148.541417	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H+K"	39.970434
"241612"	556.258626	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+ACN+H"	42.033826
"1213226"	299.146226	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+ACN+H"	42.033826
"1200389"	150.076751	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+ACN+2H"	43.041102
"190346"	559.19596	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+2Na-H"	44.97116
"641214"	816.30836	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+2Na-H"	44.97116
"1143990"	302.08356	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2Na-H"	44.97116
"185094"	280.101618	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+2Na"	45.978436
"626843"	408.657818	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+2Na"	45.978436
"1127069"	151.545418	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2Na"	45.978436
"1408406"	101.366037333333	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H+2Na"	46.985712
"1443802"	304.125146	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H+HCOOH"	47.012746
"234590"	285.13464	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+3H2O+2H"	56.04448
"1523666"	318.17719	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+IsoProp+H"	61.06479
"421245"	288.088588	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+Na+K"	61.952376
"784426"	416.644788	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+Na+K"	61.952376
"1679666"	159.532388	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Na+K"	61.952376
"266063"	578.240568	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+ACN+Na"	64.015768
"1239985"	321.128168	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+ACN+Na"	64.015768
"1726686"	321.151693	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+NH4+HCOOH"	64.039293
"1193744"	108.693351333333	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+3Na"	68.967654
"1664000"	326.107088	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Na+HCOOH"	68.994688
"166608"	591.14384	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+2K-H"	76.91904
"607264"	848.25624	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+2K-H"	76.91904
"1091775"	334.03144	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2K-H"	76.91904
"146043"	296.075558	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"2M+2K"	77.926316
"585966"	424.631758	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"3M+2K"	77.926316
"1077038"	167.519358	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2K"	77.926316
"1108060"	336.045992	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2K+H"	78.933592
"1341162"	336.133607	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+DMSO+H"	79.021207
"1011881"	340.172776	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2ACN+H"	83.060376
"1534382"	341.166408	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+IsoProp+Na+H"	84.054008
"991110"	170.590026	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+2ACN+2H"	84.067652
"1590960"	342.081028	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+K+HCOOH"	84.968628
"1416619"	372.112538	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+H+CF3COOH"	115.000138
"1149094"	191.103301	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+3ACN+2H"	125.094202
"1703022"	389.139085	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+NH4+CF3COOH"	132.026685
"1638672"	394.09448	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+Na+CF3COOH"	136.98208
"1576512"	410.06842	"C21007"	"5678-Tetrahydromonapterin"	"C9H15N5O4"	"257.1124"	"M+K+CF3COOH"	152.95602
"811252"	255.0968	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M"	0
"977132"	236.07841	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-H2O-H"	-19.01839
"68656"	169.057257333333	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M-3H"	-3.021828
"506030"	254.089524	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M-3H"	-3.021828
"886019"	84.0249906666667	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-3H"	-3.021828
"2408"	254.089524	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M-2H"	-2.014552
"444157"	381.637924	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M-2H"	-2.014552
"819044"	126.541124	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-2H"	-2.014552
"79154"	509.186324	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M-H"	-1.007276
"520418"	764.283124	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M-H"	-1.007276
"902596"	254.089524	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-H"	-1.007276
"49316"	526.212871	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M-2H+NH4"	16.019271
"489597"	781.309671	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M-2H+NH4"	16.019271
"867773"	271.116071	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-2H+NH4"	16.019271
"35677"	531.168266	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M-2H+Na"	20.974666
"480706"	786.265066	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M-2H+Na"	20.974666
"863737"	276.071466	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-2H+Na"	20.974666
"1633151"	276.071466	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Na-2H"	20.974666
"107492"	272.077863	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M-H+Cl"	33.962126
"547414"	399.626263	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M-H+Cl"	33.962126
"938741"	144.529463	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-H+Cl"	33.962126
"275109"	545.163002	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+Cl"	34.969402
"673000"	800.259802	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+Cl"	34.969402
"1282120"	290.066202	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Cl"	34.969402
"26864"	547.142206	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M-2H+K"	36.948606
"467517"	802.239006	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M-2H+K"	36.948606
"844226"	292.045406	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-2H+K"	36.948606
"1565527"	292.045406	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+K-2H"	36.948606
"953408"	300.094994	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-H+HCOOH"	44.998194
"373811"	555.191801	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+HCOOH-H"	44.998201
"352226"	569.207451	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+Hac-H"	59.013851
"1504342"	314.110651	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Hac-H"	59.013851
"967509"	322.076951	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-H+NaCOOH"	66.980151
"120432"	290.066202	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+2Cl"	69.938804
"562548"	417.614602	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+2Cl"	69.938804
"1034628"	162.517802	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2Cl"	69.938804
"1252016"	334.015685	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Br"	78.918885
"1317019"	336.071672	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Cl+HCOOH"	80.974872
"1331962"	358.053629	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Cl+NaCOOH"	102.956829
"925210"	368.082386	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M-H+CF3COOH"	112.985586
"1303913"	404.059064	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Cl+CF3COOH"	148.962264
"1382030"	220.084124	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H-2H2O"	-35.012676
"1398342"	238.0941	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H-H2O"	-17.0027
"297388"	511.200876	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+H"	1.007276
"688230"	766.297676	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+H"	1.007276
"1363485"	256.104076	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H"	1.007276
"134188"	256.104076	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+2H"	2.014552
"577028"	383.652476	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+2H"	2.014552
"1051299"	128.555676	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2H"	2.014552
"217738"	171.071809333333	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+3H"	3.021828
"655842"	256.104076	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+3H"	3.021828
"1176154"	86.0395426666667	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+3H"	3.021828
"427401"	528.227423	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+NH4"	18.033823
"789489"	783.324223	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+NH4"	18.033823
"1683632"	273.130623	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+NH4"	18.033823
"336284"	264.6173495	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+H+NH4"	19.041099
"731991"	392.1657495	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+H+NH4"	19.041099
"1490917"	137.0689495	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H+NH4"	19.041099
"405586"	533.182818	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+Na"	22.989218
"768770"	788.279618	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+Na"	22.989218
"1618424"	278.086018	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Na"	22.989218
"319980"	267.095047	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+H+Na"	23.996494
"712771"	394.643447	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+H+Na"	23.996494
"1472059"	139.546647	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H+Na"	23.996494
"1063118"	93.3668566666667	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2H+Na"	25.00377
"1269171"	288.130286	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+CH3OH+H"	33.033486
"388839"	549.156758	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+K"	38.963158
"749832"	804.253558	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+K"	38.963158
"1549698"	294.059958	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+K"	38.963158
"310155"	275.082017	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+H+K"	39.970434
"693831"	402.630417	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+H+K"	39.970434
"1452026"	147.533617	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H+K"	39.970434
"238442"	552.227426	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+ACN+H"	42.033826
"1210033"	297.130626	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+ACN+H"	42.033826
"1195395"	149.068951	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+ACN+2H"	43.041102
"189481"	555.16476	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+2Na-H"	44.97116
"640594"	810.26156	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+2Na-H"	44.97116
"1141913"	300.06796	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2Na-H"	44.97116
"185204"	278.086018	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+2Na"	45.978436
"626711"	405.634418	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+2Na"	45.978436
"1127179"	150.537618	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2Na"	45.978436
"1409609"	100.694170666667	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H+2Na"	46.985712
"1443912"	302.109546	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H+HCOOH"	47.012746
"232513"	283.11904	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+3H2O+2H"	56.04448
"1520576"	316.16159	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+IsoProp+H"	61.06479
"420261"	286.072988	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+Na+K"	61.952376
"784536"	413.621388	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+Na+K"	61.952376
"1679655"	158.524588	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Na+K"	61.952376
"266660"	574.209368	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+ACN+Na"	64.015768
"1239002"	319.112568	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+ACN+Na"	64.015768
"1727647"	319.136093	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+NH4+HCOOH"	64.039293
"1192153"	108.021484666667	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+3Na"	68.967654
"1663138"	324.091488	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Na+HCOOH"	68.994688
"164531"	587.11264	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+2K-H"	76.91904
"604093"	842.20944	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+2K-H"	76.91904
"1089699"	332.01584	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2K-H"	76.91904
"147611"	294.059958	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"2M+2K"	77.926316
"586075"	421.608358	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"3M+2K"	77.926316
"1072774"	166.511558	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2K"	77.926316
"1107075"	334.030392	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2K+H"	78.933592
"1340180"	334.118007	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+DMSO+H"	79.021207
"1009804"	338.157176	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2ACN+H"	83.060376
"1533399"	339.150808	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+IsoProp+Na+H"	84.054008
"991099"	169.582226	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+2ACN+2H"	84.067652
"1591070"	340.065428	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+K+HCOOH"	84.968628
"1416729"	370.096938	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+H+CF3COOH"	115.000138
"1149204"	190.095501	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+3ACN+2H"	125.094202
"1704225"	387.123485	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+NH4+CF3COOH"	132.026685
"1638782"	392.07888	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+Na+CF3COOH"	136.98208
"1576622"	408.05282	"C21008"	"78-Dihydromonapterin"	"C9H13N5O4"	"255.0968"	"M+K+CF3COOH"	152.95602
"811362"	202.2157	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M"	0
"980522"	183.19731	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-H2O-H"	-19.01839
"70953"	133.803190666667	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M-3H"	-3.021828
"506140"	201.208424	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M-3H"	-3.021828
"886129"	66.3979573333333	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-3H"	-3.021828
"1789"	201.208424	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M-2H"	-2.014552
"444267"	302.316274	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M-2H"	-2.014552
"819518"	100.100574	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-2H"	-2.014552
"79264"	403.424124	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M-H"	-1.007276
"518826"	605.639824	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M-H"	-1.007276
"899426"	201.208424	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-H"	-1.007276
"48333"	420.450671	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M-2H+NH4"	16.019271
"489705"	622.666371	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M-2H+NH4"	16.019271
"866789"	218.234971	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-2H+NH4"	16.019271
"39067"	425.406066	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M-2H+Na"	20.974666
"480816"	627.621766	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M-2H+Na"	20.974666
"863851"	223.190366	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-2H+Na"	20.974666
"1633381"	223.190366	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Na-2H"	20.974666
"108331"	219.196763	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M-H+Cl"	33.962126
"548254"	320.304613	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M-H+Cl"	33.962126
"939945"	118.088913	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-H+Cl"	33.962126
"276312"	439.400802	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+Cl"	34.969402
"673109"	641.616502	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+Cl"	34.969402
"1282230"	237.185102	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Cl"	34.969402
"23694"	441.380006	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M-2H+K"	36.948606
"467627"	643.595706	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M-2H+K"	36.948606
"846522"	239.164306	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-2H+K"	36.948606
"1568917"	239.164306	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+K-2H"	36.948606
"952424"	247.213894	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-H+HCOOH"	44.998194
"375380"	449.429601	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+HCOOH-H"	44.998201
"349057"	463.445251	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+Hac-H"	59.013851
"1504454"	261.229551	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Hac-H"	59.013851
"965434"	269.195851	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-H+NaCOOH"	66.980151
"119814"	237.185102	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+2Cl"	69.938804
"561566"	338.292952	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+2Cl"	69.938804
"1034374"	136.077252	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2Cl"	69.938804
"1251033"	281.134585	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Br"	78.918885
"1316762"	283.190572	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Cl+HCOOH"	80.974872
"1329884"	305.172529	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Cl+NaCOOH"	102.956829
"923860"	315.201286	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M-H+CF3COOH"	112.985586
"1303374"	351.177964	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Cl+CF3COOH"	148.962264
"1381900"	167.203024	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H-2H2O"	-35.012676
"1397898"	185.213	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H-H2O"	-17.0027
"297744"	405.438676	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+H"	1.007276
"689069"	607.654376	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+H"	1.007276
"1365664"	203.222976	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H"	1.007276
"137214"	203.222976	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+2H"	2.014552
"577503"	304.330826	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+2H"	2.014552
"1048492"	102.115126	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2H"	2.014552
"216755"	135.817742666667	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+3H"	3.021828
"654494"	203.222976	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+3H"	3.021828
"1171890"	68.4125093333333	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+3H"	3.021828
"424711"	422.465223	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+NH4"	18.033823
"785906"	624.680923	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+NH4"	18.033823
"1682649"	220.249523	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+NH4"	18.033823
"334208"	211.7362495	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+H+NH4"	19.041099
"729915"	312.8440995	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+H+NH4"	19.041099
"1484829"	110.6283995	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H+NH4"	19.041099
"400229"	427.420618	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+Na"	22.989218
"767787"	629.636318	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+Na"	22.989218
"1617829"	225.204918	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Na"	22.989218
"317904"	214.213947	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+H+Na"	23.996494
"717255"	315.321797	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+H+Na"	23.996494
"1472169"	113.106097	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H+Na"	23.996494
"1059946"	75.7398233333333	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2H+Na"	25.00377
"1269281"	235.249186	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+CH3OH+H"	33.033486
"390042"	443.394558	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+K"	38.963158
"749942"	645.610258	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+K"	38.963158
"1550902"	241.178858	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+K"	38.963158
"310265"	222.200917	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+H+K"	39.970434
"699409"	323.308767	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+H+K"	39.970434
"1449950"	121.093067	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H+K"	39.970434
"240739"	446.465226	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+ACN+H"	42.033826
"1211260"	244.249526	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+ACN+H"	42.033826
"1196235"	122.628401	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+ACN+2H"	43.041102
"189956"	449.40256	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+2Na-H"	44.97116
"638518"	651.61826	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+2Na-H"	44.97116
"1140931"	247.18686	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2Na-H"	44.97116
"186045"	225.204918	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+2Na"	45.978436
"627915"	326.312768	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+2Na"	45.978436
"1126196"	124.097068	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2Na"	45.978436
"1411906"	83.0671373333333	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H+2Na"	46.985712
"1444752"	249.228446	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H+HCOOH"	47.012746
"233717"	230.23794	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+3H2O+2H"	56.04448
"1521415"	263.28049	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+IsoProp+H"	61.06479
"421466"	233.191888	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+Na+K"	61.952376
"784526"	334.299738	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+Na+K"	61.952376
"1677701"	132.084038	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Na+K"	61.952376
"265312"	468.447168	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+ACN+Na"	64.015768
"1239112"	266.231468	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+ACN+Na"	64.015768
"1726785"	266.254993	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+NH4+HCOOH"	64.039293
"1192262"	90.3944513333333	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+3Na"	68.967654
"1659968"	271.210388	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Na+HCOOH"	68.994688
"166828"	481.35044	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+2K-H"	76.91904
"602016"	683.56614	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+2K-H"	76.91904
"1089809"	279.13474	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2K-H"	76.91904
"145535"	241.178858	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"2M+2K"	77.926316
"587280"	342.286708	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"3M+2K"	77.926316
"1073979"	140.071008	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2K"	77.926316
"1107186"	281.149292	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2K+H"	78.933592
"1340290"	281.236907	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+DMSO+H"	79.021207
"1009914"	285.276076	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2ACN+H"	83.060376
"1532416"	286.269708	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+IsoProp+Na+H"	84.054008
"991209"	143.141676	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+2ACN+2H"	84.067652
"1591180"	287.184328	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+K+HCOOH"	84.968628
"1416839"	317.215838	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+H+CF3COOH"	115.000138
"1148221"	163.654951	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+3ACN+2H"	125.094202
"1703242"	334.242385	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+NH4+CF3COOH"	132.026685
"1638892"	339.19778	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+Na+CF3COOH"	136.98208
"1575639"	355.17172	"C21009"	"N4-Aminopropylspermidine"	"C10H26N4"	"202.2157"	"M+K+CF3COOH"	152.95602
"811472"	260.2814	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M"	0
"979538"	241.26301	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-H2O-H"	-19.01839
"71063"	172.513657333333	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M-3H"	-3.021828
"510624"	259.274124	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M-3H"	-3.021828
"890613"	85.7531906666667	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-3H"	-3.021828
"1535"	259.274124	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M-2H"	-2.014552
"440286"	389.414824	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M-2H"	-2.014552
"817807"	129.133424	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-2H"	-2.014552
"78888"	519.555524	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M-H"	-1.007276
"521731"	779.836924	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M-H"	-1.007276
"899536"	259.274124	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-H"	-1.007276
"48443"	536.582071	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M-2H+NH4"	16.019271
"487633"	796.863471	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M-2H+NH4"	16.019271
"866899"	276.300671	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-2H+NH4"	16.019271
"39177"	541.537466	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M-2H+Na"	20.974666
"480926"	801.818866	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M-2H+Na"	20.974666
"863474"	281.256066	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-2H+Na"	20.974666
"1633492"	281.256066	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Na-2H"	20.974666
"106616"	277.262463	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M-H+Cl"	33.962126
"547634"	407.403163	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M-H+Cl"	33.962126
"941150"	147.121763	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-H+Cl"	33.962126
"275329"	555.532202	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+Cl"	34.969402
"671763"	815.813602	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+Cl"	34.969402
"1282705"	295.250802	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Cl"	34.969402
"24897"	557.511406	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M-2H+K"	36.948606
"465550"	817.792806	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M-2H+K"	36.948606
"840072"	297.230006	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-2H+K"	36.948606
"1563560"	297.230006	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+K-2H"	36.948606
"951441"	305.279594	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-H+HCOOH"	44.998194
"371845"	565.561001	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+HCOOH-H"	44.998201
"350260"	579.576651	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+Hac-H"	59.013851
"1501284"	319.295251	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Hac-H"	59.013851
"965544"	327.261551	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-H+NaCOOH"	66.980151
"123205"	295.250802	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+2Cl"	69.938804
"560214"	425.391502	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+2Cl"	69.938804
"1030471"	165.110102	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2Cl"	69.938804
"1250050"	339.200285	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Br"	78.918885
"1316872"	341.256272	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Cl+HCOOH"	80.974872
"1329994"	363.238229	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Cl+NaCOOH"	102.956829
"924334"	373.266986	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M-H+CF3COOH"	112.985586
"1302138"	409.243664	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Cl+CF3COOH"	148.962264
"1381766"	225.268724	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H-2H2O"	-35.012676
"1397805"	243.2787	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H-H2O"	-17.0027
"297976"	521.570076	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+H"	1.007276
"687357"	781.851476	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+H"	1.007276
"1362248"	261.288676	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H"	1.007276
"139511"	261.288676	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+2H"	2.014552
"577977"	391.429376	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+2H"	2.014552
"1049695"	131.147976	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2H"	2.014552
"214679"	174.528209333333	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+3H"	3.021828
"652780"	261.288676	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+3H"	3.021828
"1165439"	87.7677426666667	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+3H"	3.021828
"424739"	538.596623	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+NH4"	18.033823
"785855"	798.878023	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+NH4"	18.033823
"1682759"	278.315223	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+NH4"	18.033823
"335411"	269.8019495	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+H+NH4"	19.041099
"730025"	399.9426495	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+H+NH4"	19.041099
"1484939"	139.6612495	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H+NH4"	19.041099
"401432"	543.552018	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+Na"	22.989218
"767897"	803.833418	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+Na"	22.989218
"1617333"	283.270618	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Na"	22.989218
"317650"	272.279647	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+H+Na"	23.996494
"712990"	402.420347	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+H+Na"	23.996494
"1470092"	142.138947	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H+Na"	23.996494
"1058963"	95.0950566666667	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2H+Na"	25.00377
"1269391"	293.314886	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+CH3OH+H"	33.033486
"389059"	559.525958	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+K"	38.963158
"748961"	819.807358	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+K"	38.963158
"1551012"	299.244558	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+K"	38.963158
"310375"	280.266617	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+H+K"	39.970434
"698426"	410.407317	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+H+K"	39.970434
"1451153"	150.125917	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H+K"	39.970434
"238662"	562.596626	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+ACN+H"	42.033826
"1210599"	302.315226	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+ACN+H"	42.033826
"1194227"	151.661251	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+ACN+2H"	43.041102
"188633"	565.53396	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+2Na-H"	44.97116
"638628"	825.81536	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+2Na-H"	44.97116
"1145538"	305.25256	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2Na-H"	44.97116
"186885"	283.270618	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+2Na"	45.978436
"627423"	413.411318	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+2Na"	45.978436
"1130076"	153.129918	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2Na"	45.978436
"1413358"	102.422370666667	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H+2Na"	46.985712
"1443039"	307.294146	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H+HCOOH"	47.012746
"234923"	288.30364	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+3H2O+2H"	56.04448
"1521890"	321.34619	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+IsoProp+H"	61.06479
"421577"	291.257588	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+Na+K"	61.952376
"782572"	421.398288	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+Na+K"	61.952376
"1679876"	161.116888	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Na+K"	61.952376
"266963"	584.578568	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+ACN+Na"	64.015768
"1239222"	324.297168	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+ACN+Na"	64.015768
"1725922"	324.320693	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+NH4+HCOOH"	64.039293
"1192375"	109.749684666667	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+3Na"	68.967654
"1663359"	329.276088	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Na+HCOOH"	68.994688
"164750"	597.48184	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+2K-H"	76.91904
"606497"	857.76324	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+2K-H"	76.91904
"1093565"	337.20044	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2K-H"	76.91904
"144915"	299.244558	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"2M+2K"	77.926316
"587391"	429.385258	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"3M+2K"	77.926316
"1072996"	169.103858	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2K"	77.926316
"1105110"	339.214992	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2K+H"	78.933592
"1341493"	339.302607	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+DMSO+H"	79.021207
"1011116"	343.341776	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2ACN+H"	83.060376
"1531432"	344.335408	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+IsoProp+Na+H"	84.054008
"992413"	172.174526	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+2ACN+2H"	84.067652
"1588010"	345.250028	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+K+HCOOH"	84.968628
"1416949"	375.281538	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+H+CF3COOH"	115.000138
"1149425"	192.687801	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+3ACN+2H"	125.094202
"1703352"	392.308085	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+NH4+CF3COOH"	132.026685
"1639002"	397.26348	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+Na+CF3COOH"	136.98208
"1574655"	413.23742	"C21010"	"N4-Bis(aminopropyl)spermidine"	"C13H34N5"	"260.2814"	"M+K+CF3COOH"	152.95602
"802838"	232.1059	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M"	0
"975395"	213.08751	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-H2O-H"	-19.01839
"65707"	153.729990666667	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M-3H"	-3.021828
"505269"	231.098624	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M-3H"	-3.021828
"883432"	76.3613573333333	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-3H"	-3.021828
"2736"	231.098624	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M-2H"	-2.014552
"440513"	347.151574	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M-2H"	-2.014552
"817669"	115.045674	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-2H"	-2.014552
"85558"	463.204524	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M-H"	-1.007276
"528409"	695.310424	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M-H"	-1.007276
"901836"	231.098624	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-H"	-1.007276
"56213"	480.231071	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M-2H+NH4"	16.019271
"494681"	712.336971	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M-2H+NH4"	16.019271
"874669"	248.125171	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-2H+NH4"	16.019271
"40381"	485.186466	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M-2H+Na"	20.974666
"481764"	717.292366	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M-2H+Na"	20.974666
"856658"	253.080566	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-2H+Na"	20.974666
"1630564"	253.080566	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Na-2H"	20.974666
"103809"	249.086963	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M-H+Cl"	33.962126
"542275"	365.139913	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M-H+Cl"	33.962126
"937613"	133.034013	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-H+Cl"	33.962126
"279087"	499.181202	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+Cl"	34.969402
"670780"	731.287102	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+Cl"	34.969402
"1285004"	267.075302	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Cl"	34.969402
"26831"	501.160406	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M-2H+K"	36.948606
"461288"	733.266306	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M-2H+K"	36.948606
"836902"	269.054506	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-2H+K"	36.948606
"1560392"	269.054506	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+K-2H"	36.948606
"949369"	277.104094	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-H+HCOOH"	44.998194
"364672"	509.210001	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+HCOOH-H"	44.998201
"354752"	523.225651	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+Hac-H"	59.013851
"1501400"	291.119751	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Hac-H"	59.013851
"965660"	299.086051	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-H+NaCOOH"	66.980151
"120034"	267.075302	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+2Cl"	69.938804
"562149"	383.128252	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+2Cl"	69.938804
"1030580"	151.022352	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2Cl"	69.938804
"1253077"	311.024785	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Br"	78.918885
"1318081"	313.080772	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Cl+HCOOH"	80.974872
"1333022"	335.062729	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Cl+NaCOOH"	102.956829
"921893"	345.091486	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M-H+CF3COOH"	112.985586
"1302614"	381.068164	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Cl+CF3COOH"	148.962264
"1369480"	197.093224	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H-2H2O"	-35.012676
"1393538"	215.1032	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H-H2O"	-17.0027
"291036"	465.219076	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+H"	1.007276
"683457"	697.324976	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+H"	1.007276
"1364907"	233.113176	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H"	1.007276
"135978"	233.113176	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+2H"	2.014552
"572260"	349.166126	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+2H"	2.014552
"1038258"	117.060226	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2H"	2.014552
"205921"	155.744542666667	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+3H"	3.021828
"645115"	233.113176	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+3H"	3.021828
"1163973"	78.3759093333333	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+3H"	3.021828
"426639"	482.245623	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+NH4"	18.033823
"798577"	714.351523	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+NH4"	18.033823
"1691630"	250.139723	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+NH4"	18.033823
"338814"	241.6264495	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+H+NH4"	19.041099
"732327"	357.6793995	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+H+NH4"	19.041099
"1483595"	125.5734995	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H+NH4"	19.041099
"396076"	487.201018	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+Na"	22.989218
"757437"	719.306918	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+Na"	22.989218
"1605533"	255.095118	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Na"	22.989218
"316666"	244.104147	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+H+Na"	23.996494
"711276"	360.157097	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+H+Na"	23.996494
"1467646"	128.051197	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H+Na"	23.996494
"1057979"	85.7032233333333	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2H+Na"	25.00377
"1261846"	265.139386	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+CH3OH+H"	33.033486
"385889"	503.174958	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+K"	38.963158
"741051"	735.280858	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+K"	38.963158
"1548938"	271.069058	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+K"	38.963158
"305021"	252.091117	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+H+K"	39.970434
"696348"	368.144067	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+H+K"	39.970434
"1446888"	136.038167	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H+K"	39.970434
"236221"	506.245626	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+ACN+H"	42.033826
"1214767"	274.139726	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+ACN+H"	42.033826
"1197553"	137.573501	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+ACN+2H"	43.041102
"193705"	509.18296	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+2Na-H"	44.97116
"643237"	741.28886	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+2Na-H"	44.97116
"1146378"	277.07706	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2Na-H"	44.97116
"187974"	255.095118	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+2Na"	45.978436
"625582"	371.148068	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+2Na"	45.978436
"1130554"	139.042168	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2Na"	45.978436
"1410666"	93.0305373333333	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H+2Na"	46.985712
"1444853"	279.118646	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H+HCOOH"	47.012746
"232478"	260.12814	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+3H2O+2H"	56.04448
"1519811"	293.17069	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+IsoProp+H"	61.06479
"422656"	263.082088	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+Na+K"	61.952376
"782682"	379.135038	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+Na+K"	61.952376
"1677922"	147.029138	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Na+K"	61.952376
"261158"	528.227568	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+ACN+Na"	64.015768
"1236055"	296.121668	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+ACN+Na"	64.015768
"1722756"	296.145193	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+NH4+HCOOH"	64.039293
"1183006"	100.357851333333	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+3Na"	68.967654
"1653993"	301.100588	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Na+HCOOH"	68.994688
"157939"	541.13084	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+2K-H"	76.91904
"602603"	773.23674	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+2K-H"	76.91904
"1088207"	309.02494	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2K-H"	76.91904
"141865"	271.069058	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"2M+2K"	77.926316
"582030"	387.122008	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"3M+2K"	77.926316
"1070917"	155.016108	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2K"	77.926316
"1106311"	311.039492	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2K+H"	78.933592
"1339417"	311.127107	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+DMSO+H"	79.021207
"1007946"	315.166276	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2ACN+H"	83.060376
"1527166"	316.159908	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+IsoProp+Na+H"	84.054008
"992153"	158.086776	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+2ACN+2H"	84.067652
"1589572"	317.074528	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+K+HCOOH"	84.968628
"1421439"	347.106038	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+H+CF3COOH"	115.000138
"1159385"	178.600051	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+3ACN+2H"	125.094202
"1710028"	364.132585	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+NH4+CF3COOH"	132.026685
"1646774"	369.08798	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+Na+CF3COOH"	136.98208
"1581331"	385.06192	"C21015"	"gamma-L-Glutamyl-L-2-aminobutyrate"	"C9H16N2O5"	"232.1059"	"M+K+CF3COOH"	152.95602
"801976"	289.1274	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M"	0
"975384"	270.10901	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-H2O-H"	-19.01839
"65817"	191.744324	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M-3H"	-3.021828
"506472"	288.120124	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M-3H"	-3.021828
"882083"	95.368524	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-3H"	-3.021828
"2847"	288.120124	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M-2H"	-2.014552
"442042"	432.683824	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M-2H"	-2.014552
"818508"	143.556424	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-2H"	-2.014552
"84575"	577.247524	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M-H"	-1.007276
"530705"	866.374924	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M-H"	-1.007276
"901946"	288.120124	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-H"	-1.007276
"57416"	594.274071	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M-2H+NH4"	16.019271
"500624"	883.401471	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M-2H+NH4"	16.019271
"877696"	305.146671	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-2H+NH4"	16.019271
"43773"	599.229466	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M-2H+Na"	20.974666
"483333"	888.356866	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M-2H+Na"	20.974666
"860048"	310.102066	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-2H+Na"	20.974666
"1631768"	310.102066	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Na-2H"	20.974666
"106106"	306.108463	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M-H+Cl"	33.962126
"543480"	450.672163	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M-H+Cl"	33.962126
"935900"	161.544763	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-H+Cl"	33.962126
"278101"	613.224202	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+Cl"	34.969402
"669064"	902.351602	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+Cl"	34.969402
"1283289"	324.096802	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Cl"	34.969402
"25846"	615.203406	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M-2H+K"	36.948606
"462491"	904.330806	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M-2H+K"	36.948606
"835919"	326.076006	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-2H+K"	36.948606
"1562687"	326.076006	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+K-2H"	36.948606
"948385"	334.125594	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-H+HCOOH"	44.998194
"365508"	623.253001	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+HCOOH-H"	44.998201
"352675"	637.268651	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+Hac-H"	59.013851
"1501509"	348.141251	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Hac-H"	59.013851
"969049"	356.107551	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-H+NaCOOH"	66.980151
"120143"	324.096802	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+2Cl"	69.938804
"562624"	468.660502	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+2Cl"	69.938804
"1033244"	179.533102	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2Cl"	69.938804
"1253187"	368.046285	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Br"	78.918885
"1319284"	370.102272	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Cl+HCOOH"	80.974872
"1334228"	392.084229	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Cl+NaCOOH"	102.956829
"922003"	402.112986	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M-H+CF3COOH"	112.985586
"1303696"	438.089664	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Cl+CF3COOH"	148.962264
"1370683"	254.114724	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H-2H2O"	-35.012676
"1389273"	272.1247	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H-H2O"	-17.0027
"298274"	579.262076	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+H"	1.007276
"684657"	868.389476	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+H"	1.007276
"1364651"	290.134676	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H"	1.007276
"133902"	290.134676	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+2H"	2.014552
"570182"	434.698376	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+2H"	2.014552
"1038982"	145.570976	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2H"	2.014552
"210530"	193.758876	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+3H"	3.021828
"648997"	290.134676	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+3H"	3.021828
"1170039"	97.383076	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+3H"	3.021828
"428936"	596.288623	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+NH4"	18.033823
"799659"	885.416023	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+NH4"	18.033823
"1693927"	307.161223	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+NH4"	18.033823
"340017"	298.6479495	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+H+NH4"	19.041099
"734623"	443.2116495	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+H+NH4"	19.041099
"1484073"	154.0842495	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H+NH4"	19.041099
"401660"	601.244018	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+Na"	22.989218
"759373"	890.371418	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+Na"	22.989218
"1611847"	312.116618	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Na"	22.989218
"324071"	301.125647	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+H+Na"	23.996494
"716493"	445.689347	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+H+Na"	23.996494
"1471407"	156.561947	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H+Na"	23.996494
"1066841"	104.71039	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2H+Na"	25.00377
"1265240"	322.160886	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+CH3OH+H"	33.033486
"388189"	617.217958	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+K"	38.963158
"744810"	906.345358	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+K"	38.963158
"1549049"	328.090558	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+K"	38.963158
"306226"	309.112617	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+H+K"	39.970434
"695367"	453.676317	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+H+K"	39.970434
"1449189"	164.548917	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H+K"	39.970434
"245450"	620.288626	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+ACN+H"	42.033826
"1221439"	331.161226	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+ACN+H"	42.033826
"1208975"	166.084251	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+ACN+2H"	43.041102
"202699"	623.22596	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+2Na-H"	44.97116
"642746"	912.35336	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+2Na-H"	44.97116
"1146498"	334.09856	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2Na-H"	44.97116
"187843"	312.116618	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+2Na"	45.978436
"625813"	456.680318	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+2Na"	45.978436
"1129927"	167.552918	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2Na"	45.978436
"1412235"	112.037704	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H+2Na"	46.985712
"1441070"	336.140146	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H+HCOOH"	47.012746
"233683"	317.14964	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+3H2O+2H"	56.04448
"1520286"	350.19219	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+IsoProp+H"	61.06479
"418514"	320.103588	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+Na+K"	61.952376
"783885"	464.667288	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+Na+K"	61.952376
"1679369"	175.539888	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Na+K"	61.952376
"262362"	642.270568	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+ACN+Na"	64.015768
"1238352"	353.143168	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+ACN+Na"	64.015768
"1726511"	353.166693	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+NH4+HCOOH"	64.039293
"1186032"	119.365018	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+3Na"	68.967654
"1654103"	358.122088	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Na+HCOOH"	68.994688
"166069"	655.17384	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+2K-H"	76.91904
"603445"	944.30124	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+2K-H"	76.91904
"1089412"	366.04644	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2K-H"	76.91904
"146229"	328.090558	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"2M+2K"	77.926316
"586517"	472.654258	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"3M+2K"	77.926316
"1069084"	183.526858	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2K"	77.926316
"1103145"	368.060992	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2K+H"	78.933592
"1337342"	368.148607	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+DMSO+H"	79.021207
"1007207"	372.187776	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2ACN+H"	83.060376
"1528370"	373.181408	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+IsoProp+Na+H"	84.054008
"991535"	186.597526	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+2ACN+2H"	84.067652
"1589318"	374.096028	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+K+HCOOH"	84.968628
"1415350"	404.127538	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+H+CF3COOH"	115.000138
"1152930"	207.110801	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+3ACN+2H"	125.094202
"1710138"	421.154085	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+NH4+CF3COOH"	132.026685
"1643604"	426.10948	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+Na+CF3COOH"	136.98208
"1581441"	442.08342	"C21016"	"Ophthalmate;gamma-L-Glutamyl-L-2-aminobutyrylglycine"	"C11H19N3O6"	"289.1274"	"M+K+CF3COOH"	152.95602
"803058"	483.0868	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M"	0
"977315"	464.06841	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-H2O-H"	-19.01839
"67020"	321.050590666667	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M-3H"	-3.021828
"506581"	482.079524	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M-3H"	-3.021828
"884378"	160.021657333333	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-3H"	-3.021828
"6236"	482.079524	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M-2H"	-2.014552
"442880"	723.622924	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M-2H"	-2.014552
"827974"	240.536124	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-2H"	-2.014552
"86872"	965.166324	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M-H"	-1.007276
"524253"	1448.253124	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M-H"	-1.007276
"896942"	482.079524	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-H"	-1.007276
"57527"	982.192871	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M-2H+NH4"	16.019271
"497089"	1465.279671	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M-2H+NH4"	16.019271
"874160"	499.106071	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-2H+NH4"	16.019271
"38414"	987.148266	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M-2H+Na"	20.974666
"479067"	1470.235066	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M-2H+Na"	20.974666
"862346"	504.061466	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-2H+Na"	20.974666
"1631878"	504.061466	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Na-2H"	20.974666
"106216"	500.067863	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M-H+Cl"	33.962126
"544683"	741.611263	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M-H+Cl"	33.962126
"936010"	258.524463	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-H+Cl"	33.962126
"277846"	1001.143002	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+Cl"	34.969402
"668081"	1484.229802	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+Cl"	34.969402
"1281577"	518.056202	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Cl"	34.969402
"25227"	1003.122206	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M-2H+K"	36.948606
"462601"	1486.209006	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M-2H+K"	36.948606
"837122"	520.035406	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-2H+K"	36.948606
"1563890"	520.035406	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+K-2H"	36.948606
"951774"	528.084994	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-H+HCOOH"	44.998194
"369992"	1011.171801	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+HCOOH-H"	44.998201
"350598"	1025.187451	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+Hac-H"	59.013851
"1499431"	542.100651	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Hac-H"	59.013851
"963692"	550.066951	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-H+NaCOOH"	66.980151
"121346"	518.056202	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+2Cl"	69.938804
"559815"	759.599602	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+2Cl"	69.938804
"1032625"	276.512802	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2Cl"	69.938804
"1254390"	562.005685	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Br"	78.918885
"1317571"	564.061672	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Cl+HCOOH"	80.974872
"1332878"	586.043629	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Cl+NaCOOH"	102.956829
"924670"	596.072386	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M-H+CF3COOH"	112.985586
"1303198"	632.049064	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Cl+CF3COOH"	148.962264
"1369700"	448.074124	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H-2H2O"	-35.012676
"1386102"	466.0841	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H-H2O"	-17.0027
"293441"	967.180876	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+H"	1.007276
"682580"	1450.267676	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+H"	1.007276
"1360022"	484.094076	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H"	1.007276
"134012"	484.094076	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+2H"	2.014552
"571386"	725.637476	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+2H"	2.014552
"1038727"	242.550676	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2H"	2.014552
"210277"	323.065142666667	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+3H"	3.021828
"647649"	484.094076	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+3H"	3.021828
"1170149"	162.036209333333	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+3H"	3.021828
"429046"	984.207423	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+NH4"	18.033823
"799890"	1467.294223	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+NH4"	18.033823
"1694037"	501.120623	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+NH4"	18.033823
"341220"	492.6073495	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+H+NH4"	19.041099
"734733"	734.1507495	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+H+NH4"	19.041099
"1484183"	251.0639495	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H+NH4"	19.041099
"403954"	989.162818	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+Na"	22.989218
"759483"	1472.249618	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+Na"	22.989218
"1611955"	506.076018	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Na"	22.989218
"324179"	495.085047	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+H+Na"	23.996494
"714416"	736.628447	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+H+Na"	23.996494
"1470422"	253.541647	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H+Na"	23.996494
"1061483"	169.363523333333	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2H+Na"	25.00377
"1264257"	516.120286	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+CH3OH+H"	33.033486
"387205"	1005.136758	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+K"	38.963158
"743826"	1488.223558	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+K"	38.963158
"1544785"	522.049958	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+K"	38.963158
"303054"	503.072017	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+H+K"	39.970434
"695477"	744.615417	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+H+K"	39.970434
"1447475"	261.528617	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H+K"	39.970434
"245559"	1008.207426	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+ACN+H"	42.033826
"1221549"	525.120626	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+ACN+H"	42.033826
"1209207"	263.063951	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+ACN+2H"	43.041102
"203536"	1011.14476	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+2Na-H"	44.97116
"642968"	1494.23156	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+2Na-H"	44.97116
"1146604"	528.05796	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2Na-H"	44.97116
"187590"	506.076018	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+2Na"	45.978436
"626044"	747.619418	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+2Na"	45.978436
"1130158"	264.532618	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2Na"	45.978436
"1412590"	176.690837333333	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H+2Na"	46.985712
"1443854"	530.099546	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H+HCOOH"	47.012746
"233550"	511.10904	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+3H2O+2H"	56.04448
"1521490"	544.15159	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+IsoProp+H"	61.06479
"421541"	514.062988	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+Na+K"	61.952376
"783995"	755.606388	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+Na+K"	61.952376
"1679723"	272.519588	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Na+K"	61.952376
"264660"	1030.189368	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+ACN+Na"	64.015768
"1236276"	547.102568	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+ACN+Na"	64.015768
"1721884"	547.126093	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+NH4+HCOOH"	64.039293
"1189422"	184.018151333333	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+3Na"	68.967654
"1654213"	552.081488	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Na+HCOOH"	68.994688
"161805"	1043.09264	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+2K-H"	76.91904
"598085"	1526.17944	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+2K-H"	76.91904
"1087700"	560.00584	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2K-H"	76.91904
"141960"	522.049958	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"2M+2K"	77.926316
"586626"	763.593358	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"3M+2K"	77.926316
"1071139"	280.506558	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2K"	77.926316
"1104345"	562.020392	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2K+H"	78.933592
"1337571"	562.108007	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+DMSO+H"	79.021207
"1006221"	566.147176	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2ACN+H"	83.060376
"1529569"	567.140808	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+IsoProp+Na+H"	84.054008
"993831"	283.577226	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+2ACN+2H"	84.067652
"1590519"	568.055428	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+K+HCOOH"	84.968628
"1415096"	598.086938	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+H+CF3COOH"	115.000138
"1153040"	304.090501	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+3ACN+2H"	125.094202
"1709155"	615.113485	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+NH4+CF3COOH"	132.026685
"1643714"	620.06888	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+Na+CF3COOH"	136.98208
"1581551"	636.04282	"C21017"	"2-(alpha-Hydroxypropyl)thiamine diphosphate;2-Hydroxypropyl-ThPP"	"C15H25N4O8P2S"	"483.0868"	"M+K+CF3COOH"	152.95602
"810831"	172.096	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M"	0
"978900"	153.07761	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-H2O-H"	-19.01839
"70423"	113.723390666667	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M-3H"	-3.021828
"508889"	171.088724	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M-3H"	-3.021828
"886691"	56.3580573333333	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-3H"	-3.021828
"13652"	171.088724	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M-2H"	-2.014552
"452486"	257.136724	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M-2H"	-2.014552
"830897"	85.040724	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-2H"	-2.014552
"90278"	343.184724	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M-H"	-1.007276
"532512"	515.280724	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M-H"	-1.007276
"910561"	171.088724	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-H"	-1.007276
"57642"	360.211271	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M-2H+NH4"	16.019271
"501454"	532.307271	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M-2H+NH4"	16.019271
"875731"	188.115271	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-2H+NH4"	16.019271
"43632"	365.166666	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M-2H+Na"	20.974666
"480277"	537.262666	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M-2H+Na"	20.974666
"849697"	193.070666	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-2H+Na"	20.974666
"1620444"	193.070666	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Na-2H"	20.974666
"98675"	189.077063	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M-H+Cl"	33.962126
"539326"	275.125063	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M-H+Cl"	33.962126
"928834"	103.029063	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-H+Cl"	33.962126
"269578"	379.161402	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+Cl"	34.969402
"666010"	551.257402	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+Cl"	34.969402
"1282792"	207.065402	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Cl"	34.969402
"23159"	381.140606	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M-2H+K"	36.948606
"463814"	553.236606	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M-2H+K"	36.948606
"841614"	209.044606	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-2H+K"	36.948606
"1562916"	209.044606	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+K-2H"	36.948606
"950800"	217.094194	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-H+HCOOH"	44.998194
"367921"	389.190201	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+HCOOH-H"	44.998201
"353994"	403.205851	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+Hac-H"	59.013851
"1498454"	231.109851	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Hac-H"	59.013851
"965994"	239.076151	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-H+NaCOOH"	66.980151
"110885"	207.065402	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+2Cl"	69.938804
"550690"	293.113402	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+2Cl"	69.938804
"1022406"	121.017402	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2Cl"	69.938804
"1242110"	251.014885	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Br"	78.918885
"1305167"	253.070872	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Cl+HCOOH"	80.974872
"1329354"	275.052829	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Cl+NaCOOH"	102.956829
"919317"	285.081586	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M-H+CF3COOH"	112.985586
"1303451"	321.058264	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Cl+CF3COOH"	148.962264
"1378569"	137.083324	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H-2H2O"	-35.012676
"1397161"	155.0933	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H-H2O"	-17.0027
"293565"	345.199276	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+H"	1.007276
"689274"	517.295276	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+H"	1.007276
"1365983"	173.103276	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H"	1.007276
"137418"	173.103276	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+2H"	2.014552
"578439"	259.151276	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+2H"	2.014552
"1049787"	87.055276	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2H"	2.014552
"210398"	115.737942666667	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+3H"	3.021828
"652145"	173.103276	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+3H"	3.021828
"1173551"	58.3726093333333	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+3H"	3.021828
"431355"	362.225823	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+NH4"	18.033823
"796727"	534.321823	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+NH4"	18.033823
"1693056"	190.129823	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+NH4"	18.033823
"340240"	181.6165495	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+H+NH4"	19.041099
"729382"	267.6645495	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+H+NH4"	19.041099
"1481016"	95.5685495	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H+NH4"	19.041099
"399696"	367.181218	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+Na"	22.989218
"758506"	539.277218	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+Na"	22.989218
"1604172"	195.085218	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Na"	22.989218
"317735"	184.094247	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+H+Na"	23.996494
"712346"	270.142247	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+H+Na"	23.996494
"1467260"	98.046247	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H+Na"	23.996494
"1062698"	65.6999233333333	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2H+Na"	25.00377
"1264375"	205.129486	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+CH3OH+H"	33.033486
"392065"	383.155158	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+K"	38.963158
"752331"	555.251158	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+K"	38.963158
"1550374"	211.059158	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+K"	38.963158
"311560"	192.081217	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+H+K"	39.970434
"705806"	278.129217	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+H+K"	39.970434
"1459626"	106.033217	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H+K"	39.970434
"250418"	386.225826	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+ACN+H"	42.033826
"1225438"	214.129826	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+ACN+H"	42.033826
"1209319"	107.568551	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+ACN+2H"	43.041102
"203647"	389.16316	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+2Na-H"	44.97116
"643688"	561.25916	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+2Na-H"	44.97116
"1146465"	217.06716	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2Na-H"	44.97116
"188145"	195.085218	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+2Na"	45.978436
"627501"	281.133218	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+2Na"	45.978436
"1123475"	109.037218	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2Na"	45.978436
"1403718"	73.0272373333333	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H+2Na"	46.985712
"1442393"	219.108746	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H+HCOOH"	47.012746
"234034"	200.11824	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+3H2O+2H"	56.04448
"1521244"	233.16079	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+IsoProp+H"	61.06479
"419838"	203.072188	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+Na+K"	61.952376
"779738"	289.120188	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+Na+K"	61.952376
"1673880"	117.024188	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Na+K"	61.952376
"260401"	408.207768	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+ACN+Na"	64.015768
"1232742"	236.111768	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+ACN+Na"	64.015768
"1716888"	236.135293	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+NH4+HCOOH"	64.039293
"1182608"	80.3545513333333	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+3Na"	68.967654
"1654688"	241.090688	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Na+HCOOH"	68.994688
"158997"	421.11104	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+2K-H"	76.91904
"598919"	593.20704	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+2K-H"	76.91904
"1085985"	249.01504	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2K-H"	76.91904
"149370"	211.059158	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"2M+2K"	77.926316
"592214"	297.107158	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"3M+2K"	77.926316
"1074539"	125.011158	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2K"	77.926316
"1112125"	251.029592	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2K+H"	78.933592
"1346322"	251.117207	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+DMSO+H"	79.021207
"1014853"	255.156376	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2ACN+H"	83.060376
"1536258"	256.150008	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+IsoProp+Na+H"	84.054008
"999424"	128.081826	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+2ACN+2H"	84.067652
"1590648"	257.064628	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+K+HCOOH"	84.968628
"1419589"	287.096138	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+H+CF3COOH"	115.000138
"1154252"	148.595101	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+3ACN+2H"	125.094202
"1708178"	304.122685	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+NH4+CF3COOH"	132.026685
"1640551"	309.07808	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+Na+CF3COOH"	136.98208
"1581669"	325.05202	"C21026"	"Iminoarginine;5-Carbamimidamido-2-iminopentanoate"	"C6H12N4O2"	"172.096"	"M+K+CF3COOH"	152.95602
"810941"	373.0774	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M"	0
"979010"	354.05901	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-H2O-H"	-19.01839
"71626"	247.710990666667	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M-3H"	-3.021828
"506811"	372.070124	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M-3H"	-3.021828
"886801"	123.351857333333	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-3H"	-3.021828
"14126"	372.070124	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H"	-2.014552
"450409"	558.608824	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H"	-2.014552
"831491"	185.531424	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H"	-2.014552
"90388"	745.147524	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M-H"	-1.007276
"531771"	1118.224924	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M-H"	-1.007276
"910998"	372.070124	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-H"	-1.007276
"61400"	762.174071	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+NH4"	16.019271
"501565"	1135.251471	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+NH4"	16.019271
"876205"	389.096671	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+NH4"	16.019271
"39734"	767.129466	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+Na"	20.974666
"483668"	1140.206866	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+Na"	20.974666
"852724"	394.052066	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+Na"	20.974666
"1621526"	394.052066	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na-2H"	20.974666
"99878"	390.058463	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M-H+Cl"	33.962126
"540530"	576.597163	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M-H+Cl"	33.962126
"927852"	203.519763	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+Cl"	33.962126
"271510"	781.124202	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Cl"	34.969402
"663929"	1154.201602	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Cl"	34.969402
"1278526"	408.046802	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl"	34.969402
"18529"	783.103406	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M-2H+K"	36.948606
"465017"	1156.180806	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M-2H+K"	36.948606
"838445"	410.026006	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-2H+K"	36.948606
"1563028"	410.026006	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+K-2H"	36.948606
"952003"	418.075594	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+HCOOH"	44.998194
"371314"	791.153001	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+HCOOH-H"	44.998201
"354102"	805.168651	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Hac-H"	59.013851
"1498561"	432.091251	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Hac-H"	59.013851
"962821"	440.057551	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+NaCOOH"	66.980151
"110390"	408.046802	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Cl"	69.938804
"550194"	594.585502	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Cl"	69.938804
"1021591"	221.508102	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Cl"	69.938804
"1241613"	451.996285	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Br"	78.918885
"1305401"	454.052272	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+HCOOH"	80.974872
"1332380"	476.034229	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+NaCOOH"	102.956829
"919428"	486.062986	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M-H+CF3COOH"	112.985586
"1302708"	522.039664	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Cl+CF3COOH"	148.962264
"1378678"	338.064724	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H-2H2O"	-35.012676
"1395082"	356.0747	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H-H2O"	-17.0027
"292580"	747.162076	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H"	1.007276
"685003"	1120.239476	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H"	1.007276
"1366659"	374.084676	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H"	1.007276
"138622"	374.084676	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2H"	2.014552
"578548"	560.623376	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2H"	2.014552
"1051354"	187.545976	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2H"	2.014552
"213791"	249.725542666667	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+3H"	3.021828
"654442"	374.084676	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+3H"	3.021828
"1172567"	125.366409333333	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+3H"	3.021828
"434745"	764.188623	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+NH4"	18.033823
"797930"	1137.266023	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+NH4"	18.033823
"1693166"	391.111223	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4"	18.033823
"341444"	382.5979495	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+NH4"	19.041099
"733866"	569.1366495	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+NH4"	19.041099
"1483313"	196.0592495	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+NH4"	19.041099
"401993"	769.144018	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Na"	22.989218
"758618"	1142.221418	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Na"	22.989218
"1605620"	396.066618	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na"	22.989218
"320033"	385.075647	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+Na"	23.996494
"713549"	571.614347	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+Na"	23.996494
"1467370"	198.536947	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+Na"	23.996494
"1059527"	132.693723333333	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2H+Na"	25.00377
"1263391"	406.110886	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+CH3OH+H"	33.033486
"392175"	785.117958	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+K"	38.963158
"751709"	1158.195358	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+K"	38.963158
"1546109"	412.040558	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+K"	38.963158
"310939"	393.062617	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+H+K"	39.970434
"706767"	579.601317	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+H+K"	39.970434
"1460709"	206.523917	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+K"	39.970434
"251368"	788.188626	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+ACN+H"	42.033826
"1223230"	415.111226	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+H"	42.033826
"1209855"	208.059251	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+2H"	43.041102
"204241"	791.12596	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Na-H"	44.97116
"643800"	1164.20336	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Na-H"	44.97116
"1144509"	418.04856	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Na-H"	44.97116
"188484"	396.066618	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2Na"	45.978436
"628302"	582.605318	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2Na"	45.978436
"1125773"	209.527918	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2Na"	45.978436
"1407109"	140.021037333333	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+2Na"	46.985712
"1435943"	420.090146	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+HCOOH"	47.012746
"228919"	401.09964	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+3H2O+2H"	56.04448
"1520261"	434.14219	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+IsoProp+H"	61.06479
"418854"	404.053588	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+Na+K"	61.952376
"782034"	590.592288	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+Na+K"	61.952376
"1673990"	217.514888	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+K"	61.952376
"261604"	810.170568	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+ACN+Na"	64.015768
"1232124"	437.093168	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+ACN+Na"	64.015768
"1715176"	437.116693	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4+HCOOH"	64.039293
"1182352"	147.348351333333	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+3Na"	68.967654
"1654434"	442.072088	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+HCOOH"	68.994688
"158862"	823.07384	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2K-H"	76.91904
"599757"	1196.15124	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2K-H"	76.91904
"1087914"	449.99644	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K-H"	76.91904
"149477"	412.040558	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"2M+2K"	77.926316
"593052"	598.579258	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"3M+2K"	77.926316
"1079024"	225.501858	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K"	77.926316
"1110048"	452.010992	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2K+H"	78.933592
"1343153"	452.098607	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+DMSO+H"	79.021207
"1013868"	456.137776	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2ACN+H"	83.060376
"1531994"	457.131408	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+IsoProp+Na+H"	84.054008
"996254"	228.572526	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+2ACN+2H"	84.067652
"1588205"	458.046028	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+K+HCOOH"	84.968628
"1418605"	488.077538	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+H+CF3COOH"	115.000138
"1150351"	249.085801	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+3ACN+2H"	125.094202
"1706101"	505.104085	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+NH4+CF3COOH"	132.026685
"1640661"	510.05948	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+Na+CF3COOH"	136.98208
"1581779"	526.03342	"C21027"	"N-Acetylmuramic acid alpha-1-phosphate;N-Acetylmuramate alpha-1-phosphate;MurNAc alpha-1-phosphate;N-Acetyl-alpha-D-muramate 1-phosphate"	"C11H20NO11P"	"373.0774"	"M+K+CF3COOH"	152.95602
"811051"	128.0586	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M"	0
"979120"	109.04021	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-H2O-H"	-19.01839
"71736"	84.365124	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M-3H"	-3.021828
"505829"	127.051324	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M-3H"	-3.021828
"886911"	41.678924	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-3H"	-3.021828
"13872"	127.051324	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M-2H"	-2.014552
"452706"	191.080624	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M-2H"	-2.014552
"831237"	63.022024	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-2H"	-2.014552
"91227"	255.109924	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M-H"	-1.007276
"532245"	383.168524	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M-H"	-1.007276
"910904"	127.051324	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-H"	-1.007276
"58957"	272.136471	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M-2H+NH4"	16.019271
"499610"	400.195071	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M-2H+NH4"	16.019271
"873764"	144.077871	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-2H+NH4"	16.019271
"40937"	277.091866	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M-2H+Na"	20.974666
"480498"	405.150466	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M-2H+Na"	20.974666
"856114"	149.033266	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-2H+Na"	20.974666
"1621272"	149.033266	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Na-2H"	20.974666
"97802"	145.039663	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M-H+Cl"	33.962126
"537360"	209.068963	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M-H+Cl"	33.962126
"928690"	81.010363	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-H+Cl"	33.962126
"269798"	291.086602	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+Cl"	34.969402
"662581"	419.145202	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+Cl"	34.969402
"1278636"	163.028002	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Cl"	34.969402
"18275"	293.065806	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M-2H+K"	36.948606
"464034"	421.124406	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M-2H+K"	36.948606
"838555"	165.007206	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-2H+K"	36.948606
"1563138"	165.007206	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+K-2H"	36.948606
"952113"	173.056794	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-H+HCOOH"	44.998194
"372517"	301.115401	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+HCOOH-H"	44.998201
"354212"	315.131051	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+Hac-H"	59.013851
"1496485"	187.072451	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Hac-H"	59.013851
"962931"	195.038751	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-H+NaCOOH"	66.980151
"110137"	163.028002	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+2Cl"	69.938804
"550670"	227.057302	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+2Cl"	69.938804
"1021454"	98.998702	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2Cl"	69.938804
"1241380"	206.977485	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Br"	78.918885
"1305511"	209.033472	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Cl+HCOOH"	80.974872
"1332490"	231.015429	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Cl+NaCOOH"	102.956829
"919538"	241.044186	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M-H+CF3COOH"	112.985586
"1295157"	277.020864	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Cl+CF3COOH"	148.962264
"1367972"	93.045924	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H-2H2O"	-35.012676
"1395192"	111.0559	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H-H2O"	-17.0027
"289410"	257.124476	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+H"	1.007276
"681831"	385.183076	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+H"	1.007276
"1353075"	129.065876	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H"	1.007276
"137641"	129.065876	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+2H"	2.014552
"579024"	193.095176	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+2H"	2.014552
"1051100"	65.036576	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2H"	2.014552
"216087"	86.379676	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+3H"	3.021828
"655645"	129.065876	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+3H"	3.021828
"1171584"	43.693476	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+3H"	3.021828
"437042"	274.151023	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+NH4"	18.033823
"799133"	402.209623	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+NH4"	18.033823
"1695099"	146.092423	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+NH4"	18.033823
"341554"	137.5791495	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+H+NH4"	19.041099
"733976"	201.6084495	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+H+NH4"	19.041099
"1486703"	73.5498495	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H+NH4"	19.041099
"404290"	279.106418	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+Na"	22.989218
"762008"	407.165018	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+Na"	22.989218
"1604879"	151.047818	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Na"	22.989218
"322331"	140.056847	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+H+Na"	23.996494
"712567"	204.086147	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+H+Na"	23.996494
"1462497"	76.027547	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H+Na"	23.996494
"1059632"	51.02079	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2H+Na"	25.00377
"1261314"	161.092086	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+CH3OH+H"	33.033486
"387543"	295.080358	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+K"	38.963158
"747445"	423.138958	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+K"	38.963158
"1548406"	167.021758	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+K"	38.963158
"312143"	148.043817	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+H+K"	39.970434
"706390"	212.073117	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+H+K"	39.970434
"1461022"	84.014517	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H+K"	39.970434
"250958"	298.151026	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+ACN+H"	42.033826
"1223340"	170.092426	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+ACN+H"	42.033826
"1208681"	85.549851	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+ACN+2H"	43.041102
"202645"	301.08836	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+2Na-H"	44.97116
"643303"	429.14696	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+2Na-H"	44.97116
"1144619"	173.02976	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2Na-H"	44.97116
"188159"	151.047818	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+2Na"	45.978436
"627478"	215.077118	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+2Na"	45.978436
"1128070"	87.018518	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2Na"	45.978436
"1408313"	58.348104	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H+2Na"	46.985712
"1438242"	175.071346	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H+HCOOH"	47.012746
"229029"	156.08084	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+3H2O+2H"	56.04448
"1520372"	189.12339	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+IsoProp+H"	61.06479
"420057"	159.034788	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+Na+K"	61.952376
"784331"	223.064088	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+Na+K"	61.952376
"1673007"	95.005488	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Na+K"	61.952376
"261714"	320.132968	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+ACN+Na"	64.015768
"1232234"	192.074368	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+ACN+Na"	64.015768
"1714922"	192.097893	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+NH4+HCOOH"	64.039293
"1180276"	65.675418	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+3Na"	68.967654
"1654544"	197.053288	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Na+HCOOH"	68.994688
"159945"	333.03624	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+2K-H"	76.91904
"598775"	461.09484	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+2K-H"	76.91904
"1085594"	204.97764	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2K-H"	76.91904
"147401"	167.021758	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"2M+2K"	77.926316
"593892"	231.051058	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"3M+2K"	77.926316
"1081321"	102.992458	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2K"	77.926316
"1112345"	206.992192	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2K+H"	78.933592
"1339984"	207.079807	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+DMSO+H"	79.021207
"1013979"	211.118976	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2ACN+H"	83.060376
"1528095"	212.112608	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+IsoProp+Na+H"	84.054008
"993084"	106.063126	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+2ACN+2H"	84.067652
"1589772"	213.027228	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+K+HCOOH"	84.968628
"1416527"	243.058738	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+H+CF3COOH"	115.000138
"1150097"	126.576401	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+3ACN+2H"	125.094202
"1704024"	260.085285	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+NH4+CF3COOH"	132.026685
"1640771"	265.04068	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+Na+CF3COOH"	136.98208
"1581889"	281.01462	"C21028"	"(R)-56-Dihydrothymine;(5R)-Dihydrothymine"	"C5H8N2O2"	"128.0586"	"M+K+CF3COOH"	152.95602
"816632"	146.0691	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M"	0
"989077"	127.05071	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H2O-H"	-19.01839
"76952"	96.372124	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-3H"	-3.021828
"517489"	145.061824	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-3H"	-3.021828
"894560"	47.682424	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-3H"	-3.021828
"11067"	145.061824	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H"	-2.014552
"453548"	218.096374	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H"	-2.014552
"830377"	72.027274	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H"	-2.014552
"92922"	291.130924	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-H"	-1.007276
"533578"	437.200024	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-H"	-1.007276
"910410"	145.061824	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H"	-1.007276
"60648"	308.157471	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H+NH4"	16.019271
"501788"	454.226571	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H+NH4"	16.019271
"878985"	162.088371	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H+NH4"	16.019271
"44695"	313.112866	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H+Na"	20.974666
"483888"	459.181966	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H+Na"	20.974666
"852944"	167.043766	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H+Na"	20.974666
"1624664"	167.043766	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na-2H"	20.974666
"102282"	163.050163	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-H+Cl"	33.962126
"540752"	236.084713	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-H+Cl"	33.962126
"934265"	90.015613	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+Cl"	33.962126
"270275"	327.107602	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Cl"	34.969402
"665250"	473.176702	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+Cl"	34.969402
"1276194"	181.038502	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl"	34.969402
"26772"	329.086806	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M-2H+K"	36.948606
"460866"	475.155906	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M-2H+K"	36.948606
"841946"	183.017706	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-2H+K"	36.948606
"1562155"	183.017706	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K-2H"	36.948606
"946756"	191.067294	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+HCOOH"	44.998194
"368252"	337.136401	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+HCOOH-H"	44.998201
"355415"	351.152051	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Hac-H"	59.013851
"1502064"	205.082951	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Hac-H"	59.013851
"968510"	213.049251	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+NaCOOH"	66.980151
"111340"	181.038502	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2Cl"	69.938804
"550782"	254.073052	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2Cl"	69.938804
"1022496"	108.003952	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2Cl"	69.938804
"1244269"	224.987985	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Br"	78.918885
"1305742"	227.043972	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl+HCOOH"	80.974872
"1331871"	249.025929	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl+NaCOOH"	102.956829
"919648"	259.054686	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M-H+CF3COOH"	112.985586
"1295268"	295.031364	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Cl+CF3COOH"	148.962264
"1379992"	111.056424	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H-2H2O"	-35.012676
"1393116"	129.0664	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H-H2O"	-17.0027
"296813"	293.145476	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H"	1.007276
"688504"	439.214576	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H"	1.007276
"1365951"	147.076376	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H"	1.007276
"139210"	147.076376	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2H"	2.014552
"577675"	220.110926	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2H"	2.014552
"1050482"	74.041826	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2H"	2.014552
"218385"	98.386676	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+3H"	3.021828
"655756"	147.076376	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+3H"	3.021828
"1173880"	49.696976	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+3H"	3.021828
"433873"	310.172023	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+NH4"	18.033823
"795962"	456.241123	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+NH4"	18.033823
"1694479"	164.102923	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+NH4"	18.033823
"343851"	155.5896495	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H+NH4"	19.041099
"734086"	228.6241995	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H+NH4"	19.041099
"1481347"	82.5550995	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+NH4"	19.041099
"400028"	315.127418	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Na"	22.989218
"758837"	461.196518	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+Na"	22.989218
"1603656"	169.058318	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na"	22.989218
"320253"	158.067347	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H+Na"	23.996494
"712675"	231.101897	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H+Na"	23.996494
"1464309"	85.032797	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+Na"	23.996494
"1057560"	57.02429	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2H+Na"	25.00377
"1264701"	179.102586	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+CH3OH+H"	33.033486
"386563"	331.101358	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+K"	38.963158
"746464"	477.170458	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+K"	38.963158
"1552892"	185.032258	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K"	38.963158
"306787"	166.054317	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+H+K"	39.970434
"702488"	239.088867	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+H+K"	39.970434
"1458860"	93.019767	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+K"	39.970434
"249285"	334.172026	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+ACN+H"	42.033826
"1223451"	188.102926	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+ACN+H"	42.033826
"1208552"	94.555101	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+ACN+2H"	43.041102
"203857"	337.10936	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2Na-H"	44.97116
"643950"	483.17846	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2Na-H"	44.97116
"1146805"	191.04026	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2Na-H"	44.97116
"187299"	169.058318	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2Na"	45.978436
"626858"	242.092868	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2Na"	45.978436
"1123441"	96.023768	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2Na"	45.978436
"1405507"	64.351604	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+2Na"	46.985712
"1435071"	193.081846	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+HCOOH"	47.012746
"225860"	174.09134	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+3H2O+2H"	56.04448
"1518660"	207.13389	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+IsoProp+H"	61.06479
"417981"	177.045288	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+Na+K"	61.952376
"781893"	250.079838	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+Na+K"	61.952376
"1673119"	104.010738	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na+K"	61.952376
"262189"	356.153968	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+ACN+Na"	64.015768
"1229792"	210.084868	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+ACN+Na"	64.015768
"1713938"	210.108393	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+NH4+HCOOH"	64.039293
"1179410"	71.678918	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+3Na"	68.967654
"1651371"	215.063788	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na+HCOOH"	68.994688
"158596"	369.05724	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2K-H"	76.91904
"599249"	515.12634	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2K-H"	76.91904
"1086311"	222.98814	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2K-H"	76.91904
"146417"	185.032258	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"2M+2K"	77.926316
"591449"	258.066808	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"3M+2K"	77.926316
"1081796"	111.997708	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2K"	77.926316
"1112455"	225.002692	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2K+H"	78.933592
"1340092"	225.090307	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+DMSO+H"	79.021207
"1010806"	229.129476	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2ACN+H"	83.060376
"1524435"	230.123108	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+IsoProp+Na+H"	84.054008
"990272"	115.068376	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+2ACN+2H"	84.067652
"1594259"	231.037728	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K+HCOOH"	84.968628
"1421015"	261.069238	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+H+CF3COOH"	115.000138
"1153489"	135.581651	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+3ACN+2H"	125.094202
"1708510"	278.095785	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+NH4+CF3COOH"	132.026685
"1637598"	283.05118	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+Na+CF3COOH"	136.98208
"1581999"	299.02512	"C21029"	"(R)-3-Ureidoisobutyrate;(R)-N-Carbamyl-beta-aminoisobutyrate"	"C5H10N2O3"	"146.0691"	"M+K+CF3COOH"	152.95602
"809084"	102.0317	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M"	0
"977148"	83.01331	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H2O-H"	-19.01839
"77306"	67.0138573333333	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-3H"	-3.021828
"517113"	101.024424	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-3H"	-3.021828
"894063"	33.0032906666667	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-3H"	-3.021828
"12638"	101.024424	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H"	-2.014552
"452563"	152.040274	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H"	-2.014552
"831585"	50.008574	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H"	-2.014552
"92790"	203.056124	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-H"	-1.007276
"534241"	305.087824	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-H"	-1.007276
"908692"	101.024424	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H"	-1.007276
"60760"	220.082671	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+NH4"	16.019271
"501292"	322.114371	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+NH4"	16.019271
"878730"	118.050971	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+NH4"	16.019271
"43346"	225.038066	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+Na"	20.974666
"485822"	327.069766	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+Na"	20.974666
"856334"	123.006366	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+Na"	20.974666
"1626960"	123.006366	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na-2H"	20.974666
"104581"	119.012763	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-H+Cl"	33.962126
"539768"	170.028613	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-H+Cl"	33.962126
"936563"	67.996913	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+Cl"	33.962126
"272936"	239.032802	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Cl"	34.969402
"666454"	341.064502	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Cl"	34.969402
"1279952"	137.001102	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl"	34.969402
"23601"	241.012006	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M-2H+K"	36.948606
"463164"	343.043706	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M-2H+K"	36.948606
"844244"	138.980306	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-2H+K"	36.948606
"1564452"	138.980306	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K-2H"	36.948606
"951241"	147.029894	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+HCOOH"	44.998194
"369457"	249.061601	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+HCOOH-H"	44.998201
"356620"	263.077251	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Hac-H"	59.013851
"1502174"	161.045551	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Hac-H"	59.013851
"968620"	169.011851	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+NaCOOH"	66.980151
"110172"	137.001102	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Cl"	69.938804
"551990"	188.016952	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Cl"	69.938804
"1022005"	85.985252	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Cl"	69.938804
"1244379"	180.950585	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Br"	78.918885
"1305729"	183.006572	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+HCOOH"	80.974872
"1330888"	204.988529	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+NaCOOH"	102.956829
"918665"	215.017286	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M-H+CF3COOH"	112.985586
"1296473"	250.993964	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Cl+CF3COOH"	148.962264
"1376822"	67.019024	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H-2H2O"	-35.012676
"1393226"	85.029	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H-H2O"	-17.0027
"296562"	205.070676	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H"	1.007276
"688617"	307.102376	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H"	1.007276
"1366061"	103.038976	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H"	1.007276
"138949"	103.038976	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2H"	2.014552
"579607"	154.054826	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2H"	2.014552
"1052053"	52.023126	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2H"	2.014552
"218128"	69.0284093333333	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+3H"	3.021828
"656960"	103.038976	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+3H"	3.021828
"1175813"	35.0178426666667	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3H"	3.021828
"436170"	222.097223	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+NH4"	18.033823
"800327"	324.128923	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+NH4"	18.033823
"1695686"	120.065523	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4"	18.033823
"345055"	111.5522495	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+NH4"	19.041099
"737112"	162.5680995	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+NH4"	19.041099
"1485832"	60.5363995	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+NH4"	19.041099
"403420"	227.052618	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Na"	22.989218
"763322"	329.084318	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Na"	22.989218
"1604859"	125.020918	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na"	22.989218
"323646"	114.029947	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+Na"	23.996494
"713880"	165.045797	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+Na"	23.996494
"1465514"	63.014097	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+Na"	23.996494
"1060947"	42.3451566666667	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2H+Na"	25.00377
"1264085"	135.065186	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+CH3OH+H"	33.033486
"386672"	243.026558	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+K"	38.963158
"751678"	345.058258	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+K"	38.963158
"1550815"	140.994858	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K"	38.963158
"308720"	122.016917	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+H+K"	39.970434
"701870"	173.032767	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+H+K"	39.970434
"1458606"	71.001067	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+K"	39.970434
"249395"	246.097226	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+ACN+H"	42.033826
"1223561"	144.065526	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+H"	42.033826
"1209273"	72.536401	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+2H"	43.041102
"203806"	249.03456	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Na-H"	44.97116
"643413"	351.06626	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Na-H"	44.97116
"1146549"	147.00286	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Na-H"	44.97116
"187412"	125.020918	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2Na"	45.978436
"627458"	176.036768	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2Na"	45.978436
"1123916"	74.005068	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2Na"	45.978436
"1409262"	49.6724706666667	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+2Na"	46.985712
"1438097"	149.044446	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+HCOOH"	47.012746
"231438"	130.05394	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+3H2O+2H"	56.04448
"1521321"	163.09649	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+IsoProp+H"	61.06479
"419185"	133.007888	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+Na+K"	61.952376
"782003"	184.023738	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+Na+K"	61.952376
"1673229"	81.992038	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+K"	61.952376
"261935"	268.079168	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+ACN+Na"	64.015768
"1229537"	166.047468	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+ACN+Na"	64.015768
"1714531"	166.070993	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4+HCOOH"	64.039293
"1179401"	56.9997846666667	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3Na"	68.967654
"1653303"	171.026388	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+HCOOH"	68.994688
"158343"	280.98244	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2K-H"	76.91904
"600818"	383.01414	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2K-H"	76.91904
"1087152"	178.95074	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K-H"	76.91904
"144696"	140.994858	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"2M+2K"	77.926316
"587172"	192.010708	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"3M+2K"	77.926316
"1071694"	89.979008	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K"	77.926316
"1112201"	180.965292	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2K+H"	78.933592
"1345671"	181.052907	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+DMSO+H"	79.021207
"1010918"	185.092076	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2ACN+H"	83.060376
"1530137"	186.085708	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+IsoProp+Na+H"	84.054008
"999864"	93.049676	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+2ACN+2H"	84.067652
"1594370"	187.000328	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K+HCOOH"	84.968628
"1424406"	217.031838	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+H+CF3COOH"	115.000138
"1153599"	113.562951	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+3ACN+2H"	125.094202
"1708620"	234.058385	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+NH4+CF3COOH"	132.026685
"1636615"	239.01378	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+Na+CF3COOH"	136.98208
"1582109"	254.98772	"C21030"	"(R)-Methylmalonate semialdehyde"	"C4H6O3"	"102.0317"	"M+K+CF3COOH"	152.95602
"809196"	180.0634	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M"	0
"986009"	161.04501	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"78192"	119.034990666667	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"517349"	179.056124	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"893810"	59.0138573333333	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"13482"	179.056124	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"455276"	269.087824	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"832260"	89.024424	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"93953"	359.119524	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"533765"	539.182924	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"910508"	179.056124	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"61615"	376.146071	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"502216"	556.209471	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"879371"	196.082671	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"46252"	381.101466	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"480830"	561.164866	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"851706"	201.038066	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1621605"	201.038066	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"102510"	197.044463	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"537696"	287.076163	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"933398"	107.012763	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"279610"	395.096202	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"673126"	575.159602	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1287475"	215.032802	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"18247"	397.075406	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"464367"	577.138806	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"838890"	217.012006	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1568940"	217.012006	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"953544"	225.061594	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"370667"	405.125001	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"360386"	419.140651	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1507762"	239.077251	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"964364"	247.043551	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"117645"	215.032802	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"559394"	305.064502	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1034756"	125.001102	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1252147"	258.982285	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1318609"	261.038272	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1332094"	283.020229	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"916594"	293.048986	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1295490"	329.025664	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1371464"	145.050724	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1396620"	163.0607	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"295945"	361.134076	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"689458"	541.197476	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1364715"	181.070676	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"138336"	181.070676	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"580084"	271.102376	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1051677"	91.038976	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"219330"	121.049542666667	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"657798"	181.070676	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1178319"	61.0284093333333	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"435187"	378.160623	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"799464"	558.224023	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1696401"	198.097223	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"336416"	189.5839495	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"735402"	279.6156495	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1484849"	99.5522495	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"399156"	383.116018	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"762340"	563.179418	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1607158"	203.052618	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"319383"	192.061647	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"710711"	282.093347	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1466718"	102.029947	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1059963"	68.3557233333333	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1266018"	213.096886	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"387874"	399.089958	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"752879"	579.153358	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1551651"	219.026558	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"312111"	200.048617	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"706944"	290.080317	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1460539"	110.016917	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"250598"	402.160626	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1225562"	222.097226	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1209269"	111.552251	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"204069"	405.09796	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"644156"	585.16136	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1146890"	225.03456	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"187762"	203.052618	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"624893"	293.084318	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1129495"	113.020918	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1413262"	75.6830373333333	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1444770"	227.076146	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"234467"	208.08564	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1523623"	241.12819	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"423190"	211.039588	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"784914"	301.071288	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1680149"	121.007888	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"264598"	424.142568	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1239129"	244.079168	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1721451"	244.102693	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1189723"	83.0103513333333	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1658523"	249.058088	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"166841"	437.04584	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"599474"	617.10924	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1089821"	256.98244	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"148824"	219.026558	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"594589"	309.058258	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1075095"	128.994858	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1107206"	258.996992	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1340312"	259.084607	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1007749"	263.123776	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1524899"	264.117408	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"998883"	132.065526	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1591201"	265.032028	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1415767"	295.063538	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1147510"	152.578801	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1698160"	312.090085	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1635631"	317.04548	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1572379"	333.01942	"C21032"	"L-Altrose;L-Altropyranose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"806024"	164.0685	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M"	0
"986118"	145.05011	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"72177"	108.371724	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"516113"	163.061224	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"892827"	53.682224	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"8120"	163.061224	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"453148"	245.095474	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"829857"	81.026974	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"94107"	327.129724	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"533421"	491.198224	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"910127"	163.061224	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"60490"	344.156271	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"501022"	508.224771	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"879311"	180.087771	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"43565"	349.111666	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"480940"	513.180166	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"853273"	185.043166	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1620256"	185.043166	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"101527"	181.049563	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"537806"	263.083813	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"931322"	99.015313	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"273160"	363.106402	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"669956"	527.174902	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1283453"	199.037902	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"17626"	365.085606	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"459010"	529.154106	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"835720"	201.017106	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1564675"	201.017106	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"952561"	209.066694	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"370777"	373.135201	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"360496"	387.150851	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1506776"	223.082351	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"969943"	231.048651	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"119943"	199.037902	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"565466"	281.072152	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1033773"	117.003652	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1252257"	242.987385	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1319084"	245.043372	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1331111"	267.025329	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"915610"	277.054086	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1295600"	313.030764	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1375948"	129.055824	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1395273"	147.0658	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"296421"	329.144276	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"689204"	493.212776	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1365189"	165.075776	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"140633"	165.075776	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"580194"	247.110026	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1050815"	83.041526	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"214702"	110.386276	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"655356"	165.075776	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1175669"	55.696776	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"430924"	346.170823	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"796294"	510.239323	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1695539"	182.102323	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"335433"	173.5890495	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"734421"	255.6232995	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1482774"	91.5547995	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"396714"	351.126218	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"762449"	515.194718	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1611641"	187.057718	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"319492"	176.066747	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"710821"	258.100997	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1469015"	94.032497	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1058984"	63.02409	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1267222"	197.101986	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"384706"	367.100158	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"750074"	531.168658	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1553949"	203.031658	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"309303"	184.053717	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"706548"	266.087967	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1461147"	102.019467	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"251278"	370.170826	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1225543"	206.102326	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1209541"	103.554801	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"204170"	373.10816	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"644188"	537.17666	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1145795"	209.03966	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"186899"	187.057718	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"623542"	269.091968	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1127777"	105.023468	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1410211"	70.351404	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1442692"	211.081246	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"233117"	192.09074	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1522639"	225.13329	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"422692"	195.044688	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"782953"	277.078938	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1678919"	113.010438	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"263247"	392.152768	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1238144"	228.084268	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1719374"	228.107793	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1184729"	77.678718	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1653528"	233.063188	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"160020"	405.05604	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"599949"	569.12454	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1087742"	240.98754	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"148934"	203.031658	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"593237"	285.065908	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1076299"	120.997408	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1106227"	243.002092	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1340422"	243.089707	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1011139"	247.128876	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1527077"	248.122508	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"994620"	124.068076	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1592405"	249.037128	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1416973"	279.068638	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1147459"	144.581351	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1697333"	296.095185	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1635741"	301.05058	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1572489"	317.02452	"C21033"	"6-Deoxy-L-altrose;6-Deoxy-L-altropyranose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"809414"	194.0427	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"982948"	175.02431	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"74474"	128.354524	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"517440"	193.035424	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"893668"	63.673624	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"10417"	193.035424	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"453624"	290.056774	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"828873"	96.014074	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"93365"	387.078124	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"532805"	581.120824	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"909145"	193.035424	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"61699"	404.104671	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"502111"	598.147371	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"878574"	210.061971	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"44771"	409.060066	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"482510"	603.102766	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"854477"	215.017366	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1625105"	215.017366	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"104917"	211.023763	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"543384"	308.045113	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"933619"	114.002413	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"281896"	423.054802	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"670066"	617.097502	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1283563"	229.012102	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"20652"	425.034006	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"461307"	619.076706	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"835830"	230.991306	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1566972"	230.991306	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"955951"	239.040894	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"373076"	433.083601	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"361018"	447.099251	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1505428"	253.056551	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"970053"	261.022851	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"120053"	229.012102	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"564599"	326.033452	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1035221"	131.990752	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1252367"	272.961585	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1317003"	275.017572	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1331221"	296.999529	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"916813"	307.028286	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1296073"	343.004964	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1381164"	159.030024	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1394656"	177.04	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"296531"	389.092676	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"689926"	583.135376	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1366155"	195.049976	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"135638"	195.049976	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"576656"	292.071326	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1052022"	98.028626	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"212259"	130.369076	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"656560"	195.049976	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1171770"	65.688176	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"429939"	406.119223	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"789840"	600.161923	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1687263"	212.076523	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"333720"	203.5632495	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"732344"	300.5845995	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1489444"	106.5418995	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"399378"	411.074618	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"764746"	605.117318	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1611752"	217.031918	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"318511"	206.040947	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"709837"	303.062297	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1470218"	109.019597	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1056903"	73.01549	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1261863"	227.076186	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"390279"	427.048558	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"751277"	621.091258	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1554062"	233.005858	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"312331"	214.027917	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"704751"	311.049267	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1457112"	117.006567	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"247901"	430.119226	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1224502"	236.076526	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1209358"	118.541901	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"202103"	433.05656	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"635466"	627.09926	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1145784"	239.01386	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"187009"	217.031918	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"625474"	314.053268	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1128618"	120.010568	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1410685"	80.342804	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1441345"	241.055446	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"234320"	222.06494	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1522383"	255.10749	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"421705"	225.018888	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"780142"	322.040238	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1674649"	127.997538	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"257889"	452.101168	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1227678"	258.058468	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1720214"	258.081993	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1182652"	87.670118	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1652175"	263.037388	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"157330"	465.00444	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"597625"	659.04714	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1085664"	270.96174	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"147951"	233.005858	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"593711"	330.027208	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1079689"	135.984508	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1110711"	272.976292	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1343812"	273.063907	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1010156"	277.103076	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1533749"	278.096708	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"995825"	139.055176	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1594703"	279.011328	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1419270"	309.042838	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1148100"	159.568451	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1698380"	326.069385	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1635852"	331.02478	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1572599"	346.99872	"C21034"	"L-Altruronic acid;L-Altropyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"809525"	179.0794	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M"	0
"983058"	160.06101	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"77628"	118.378990666667	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"517430"	178.072124	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"894139"	58.6858573333333	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"12718"	178.072124	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"452277"	267.611824	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"831778"	88.532424	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"91161"	357.151524	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"532545"	536.230924	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"909619"	178.072124	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"62417"	374.178071	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"499907"	553.257471	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"879537"	195.098671	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"42332"	379.133466	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"482256"	558.212866	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"855680"	200.054066	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1625215"	200.054066	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"98466"	196.060463	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"542401"	285.600163	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"930811"	106.520763	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"280307"	393.128202	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"670176"	572.207602	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1286831"	214.048802	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"17482"	395.107406	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"461417"	574.186806	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"839220"	216.028006	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1564895"	216.028006	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"952779"	224.077594	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"373550"	403.157001	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"358529"	417.172651	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1508054"	238.093251	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"969799"	246.059551	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"119070"	214.048802	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"563737"	303.588502	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1034722"	124.509102	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1252477"	257.998285	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1317114"	260.054272	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1329143"	282.036229	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"918016"	292.064986	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1301289"	328.041664	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1381887"	144.066724	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1396592"	162.0767	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"296278"	359.166076	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"691216"	538.245476	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1365047"	180.086676	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"140124"	180.086676	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"576402"	269.626376	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1050312"	90.546976	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"216745"	120.393542666667	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"655941"	180.086676	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1172244"	60.7004093333333	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"431144"	376.192623	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"789952"	555.272023	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1688468"	197.113223	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"333466"	188.5999495	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"736470"	278.1396495	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1489924"	99.0602495	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"402770"	381.148018	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"764494"	560.227418	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1611863"	202.068618	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"320808"	191.077647	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"714322"	280.617347	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1470329"	101.537947	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1057014"	68.0277233333333	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1265253"	212.112886	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"386015"	397.121958	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"749564"	576.201358	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1553077"	218.042558	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"309160"	199.064617	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"705835"	288.604317	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1456858"	109.524917	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"247647"	400.192626	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1224612"	221.113226	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1208130"	111.060251	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"201849"	403.12996	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"635576"	582.20936	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1146501"	224.05056	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"186995"	202.068618	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"626314"	291.608318	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1128364"	112.528918	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1409701"	75.3550373333333	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1441454"	226.092146	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"232972"	207.10164	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1522127"	240.14419	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"421085"	210.055588	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"777336"	299.595288	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1672573"	120.515888	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"255079"	422.174568	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1228519"	243.095168	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1717408"	243.118693	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1180205"	82.6823513333333	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1653743"	248.074088	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"158421"	435.07784	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"597897"	614.15724	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1086141"	255.99844	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"149157"	218.042558	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"594185"	307.582258	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1082596"	128.502858	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1114956"	258.012992	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1345017"	258.100607	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1011360"	262.139776	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1533859"	263.133408	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"998122"	131.573526	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1594813"	264.048028	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1422660"	294.079538	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1149668"	152.086801	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1697094"	311.106085	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1635964"	316.06148	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1573073"	332.03542	"C21035"	"L-Altrosamine;2-Amino-2-deoxy-L-altropyranose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"806355"	221.0899	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M"	0
"975512"	202.07151	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"76887"	146.385990666667	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"517177"	220.082624	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"893886"	72.6893573333333	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"13194"	220.082624	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"454700"	330.627574	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"826906"	109.537674	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"90179"	441.172524	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"530832"	662.262424	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"910457"	220.082624	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"61308"	458.199071	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"500992"	679.288971	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"878547"	237.109171	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"45359"	463.154466	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"485647"	684.244366	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"854699"	242.064566	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1626419"	242.064566	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"97480"	238.070963	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"539231"	348.615913	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"930559"	127.526013	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"278957"	477.149202	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"672473"	698.239102	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1284877"	256.059302	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"26341"	479.128406	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"461527"	700.218306	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"839330"	258.038506	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1565005"	258.038506	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"950703"	266.088094	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"372201"	487.178001	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"361290"	501.193651	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1507351"	280.103751	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"971367"	288.070051	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"124286"	256.059302	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"565305"	366.604252	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1030822"	145.514352	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1251493"	300.008785	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1317589"	302.064772	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1330347"	324.046729	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"921409"	334.075486	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1300304"	370.052164	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1381995"	186.077224	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1396701"	204.0872	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"297846"	443.187076	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"689902"	664.276976	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1366250"	222.097176	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"140233"	222.097176	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"577240"	332.642126	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1051514"	111.552226	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"216127"	148.400542666667	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"657144"	222.097176	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1175635"	74.7039093333333	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"433441"	460.213623	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"792248"	681.303523	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1691858"	239.123723	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"336856"	230.6104495	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"734024"	341.1553995	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1491494"	120.0654995	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"402515"	465.169018	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"762417"	686.258918	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1608695"	244.079118	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"323107"	233.088147	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"717712"	343.633097	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1467158"	122.543197	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1057125"	82.0312233333333	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1258805"	254.123386	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"381756"	481.142958	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"748583"	702.232858	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1550272"	260.053058	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"305258"	241.075117	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"697678"	351.620067	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1456605"	130.530167	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"247393"	484.213626	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1221560"	263.123726	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1209297"	132.065501	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"203063"	487.15096	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"642500"	708.24086	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1145031"	266.06106	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"186136"	244.079118	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"624238"	354.624068	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1125557"	133.534168	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1403615"	89.3585373333333	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1439010"	268.102646	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"229800"	249.11214	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1518956"	282.15469	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"418641"	252.066088	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"777449"	362.611038	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1672684"	141.521138	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"255924"	506.195568	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1227899"	285.105668	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1716060"	285.129193	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1179588"	96.6858513333333	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1650939"	290.084588	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"158163"	519.09884	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"598087"	740.18874	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1085887"	298.00894	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"149265"	260.053058	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"596608"	370.598008	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1082092"	149.508108	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1115358"	300.023492	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1347315"	300.111107	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1016937"	304.150276	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1533969"	305.143908	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"1000419"	152.578776	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1594924"	306.058528	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1416211"	336.090038	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1153060"	173.092051	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1700424"	353.116585	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1644822"	358.07198	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1572819"	374.04592	"C21036"	"N-Acetyl-L-altrosamine;2-Acetamido-2-deoxy-L-altropyranose"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"806465"	194.0427	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"974563"	175.02431	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"77723"	128.354524	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"516557"	193.035424	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"893876"	63.673624	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"13911"	193.035424	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"455377"	290.056774	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"829201"	96.014074	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"90289"	387.078124	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"530942"	581.120824	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"910810"	193.035424	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"62148"	404.104671	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"502645"	598.147371	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"878781"	210.061971	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"44738"	409.060066	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"484664"	603.102766	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"855903"	215.017366	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1624342"	215.017366	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"100870"	211.023763	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"539340"	308.045113	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"932855"	114.002413	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"280526"	423.054802	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"673312"	617.097502	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1286810"	229.012102	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"27544"	425.034006	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"464915"	619.076706	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"836159"	230.991306	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1565115"	230.991306	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"955186"	239.040894	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"373403"	433.083601	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"360775"	447.099251	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1507704"	253.056551	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"971477"	261.022851	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"123301"	229.012102	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"564200"	326.033452	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1032025"	131.990752	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1253789"	272.961585	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1314052"	275.017572	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1330457"	296.999529	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"919332"	307.028286	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1300050"	343.004964	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1382223"	159.030024	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1397537"	177.04	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"298079"	389.092676	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"690622"	583.135376	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1366850"	195.049976	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"139978"	195.049976	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"579540"	292.071326	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1051254"	98.028626	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"217333"	130.369076	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"656527"	195.049976	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1173558"	65.688176	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"429176"	406.119223	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"792359"	600.161923	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1690875"	212.076523	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"333687"	203.5632495	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"737055"	300.5845995	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1492292"	106.5418995	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"407729"	411.074618	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"765078"	605.117318	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1612084"	217.031918	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"325402"	206.040947	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"716728"	303.062297	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1462895"	109.019597	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1056140"	73.01549	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1261101"	227.076186	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"380773"	427.048558	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"750514"	621.091258	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1552205"	233.005858	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"305368"	214.027917	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"693781"	311.049267	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1457079"	117.006567	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"244587"	430.119226	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1219483"	236.076526	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1207740"	118.541901	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"202070"	433.05656	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"643095"	627.09926	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1144777"	239.01386	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"184787"	217.031918	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"626779"	314.053268	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1128581"	120.010568	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1402632"	80.342804	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1440214"	241.055446	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"232096"	222.06494	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1521252"	255.10749	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"419844"	225.018888	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"778652"	322.040238	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1672794"	127.997538	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"256034"	452.101168	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1227281"	258.058468	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1715074"	258.081993	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1179696"	87.670118	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1650683"	263.037388	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"159003"	465.00444	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"597950"	659.04714	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1085997"	270.96174	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"148282"	233.005858	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"590033"	330.027208	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1080013"	135.984508	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1115509"	272.976292	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1347424"	273.063907	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1019235"	277.103076	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1534080"	278.096708	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"998341"	139.055176	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1596127"	279.011328	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1418507"	309.042838	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1153170"	159.568451	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1700534"	326.069385	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1644932"	331.02478	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1572929"	346.99872	"C21037"	"D-Alluronic acid;D-Allopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"809855"	179.0794	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M"	0
"976095"	160.06101	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"77832"	118.378990666667	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"512295"	178.072124	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"890097"	58.6858573333333	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"11954"	178.072124	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"454553"	267.611824	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"823843"	88.532424	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"87117"	357.151524	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"529957"	536.230924	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"908851"	178.072124	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"59824"	374.178071	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"502675"	553.257471	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"878893"	195.098671	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"41930"	379.133466	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"484771"	558.212866	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"854918"	200.054066	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1625544"	200.054066	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"99156"	196.060463	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"542729"	285.600163	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"932963"	106.520763	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"275897"	393.128202	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"673421"	572.207602	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1287042"	214.048802	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"27652"	395.107406	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"461745"	574.186806	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"836269"	216.028006	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1566318"	216.028006	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"952016"	224.077594	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"375699"	403.157001	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"361158"	417.172651	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1508057"	238.093251	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"969401"	246.059551	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"119400"	214.048802	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"564309"	303.588502	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1027760"	124.509102	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1253899"	257.998285	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1317442"	260.054272	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1331660"	282.036229	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"917617"	292.064986	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1298337"	328.041664	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1379780"	144.066724	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1395093"	162.0767	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"298063"	359.166076	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"691016"	538.245476	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1366466"	180.086676	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"139723"	180.086676	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"580013"	269.626376	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1049906"	90.546976	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"216350"	120.393542666667	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"656635"	180.086676	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1172574"	60.7004093333333	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"428192"	376.192623	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"792468"	555.272023	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1689892"	197.113223	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"335979"	188.5999495	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"737164"	278.1396495	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1492077"	99.0602495	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"407718"	381.148018	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"765188"	560.227418	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1613288"	202.068618	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"325512"	191.077647	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"715745"	280.617347	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1465192"	101.537947	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1057343"	68.0277233333333	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1262304"	212.112886	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"380883"	397.121958	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"751718"	576.201358	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1553407"	218.042558	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"305478"	199.064617	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"695713"	288.604317	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1457189"	109.524917	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"247977"	400.192626	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1225415"	221.113226	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1208944"	111.060251	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"204005"	403.12996	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"642719"	582.20936	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1144887"	224.05056	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"185990"	202.068618	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"626642"	291.608318	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1124680"	112.528918	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1403834"	75.3550373333333	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1439231"	226.092146	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"231112"	207.10164	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1523063"	240.14419	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"421047"	210.055588	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"780948"	299.595288	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1672904"	120.515888	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"253228"	422.174568	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1227392"	243.095168	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1714822"	243.118693	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1180536"	82.6823513333333	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1652008"	248.074088	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"159477"	435.07784	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"599159"	614.15724	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1084601"	255.99844	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"144017"	218.042558	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"590143"	307.582258	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1079030"	128.502858	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1114559"	258.012992	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1347534"	258.100607	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1019345"	262.139776	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1536377"	263.133408	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"997358"	131.573526	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1595144"	264.048028	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1417524"	294.079538	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1155467"	152.086801	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1700644"	311.106085	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1641762"	316.06148	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1573039"	332.03542	"C21038"	"D-Allosamine;2-Amino-2-deoxy-D-allopyranose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"806685"	221.0899	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M"	0
"974291"	202.07151	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"78295"	146.385990666667	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"514591"	220.082624	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"889114"	72.6893573333333	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"13157"	220.082624	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"455026"	330.627574	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"821766"	109.537674	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"87226"	441.172524	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"530067"	662.262424	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"908961"	220.082624	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"56774"	458.199071	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"502412"	679.288971	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"876324"	237.109171	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"43134"	463.154466	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"483788"	684.244366	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"855029"	242.064566	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1624560"	242.064566	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"97080"	238.070963	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"539558"	348.615913	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"931979"	127.526013	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"274913"	477.149202	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"667335"	698.239102	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1287517"	256.059302	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"24481"	479.128406	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"469510"	700.218306	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"842937"	258.038506	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1559867"	258.038506	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"953219"	266.088094	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"374353"	487.178001	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"360918"	501.193651	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1507316"	280.103751	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"970967"	288.070051	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"119146"	256.059302	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"562351"	366.604252	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1027870"	145.514352	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1246354"	300.008785	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1317552"	302.064772	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1333228"	324.046729	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"916269"	334.075486	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1298083"	370.052164	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1378432"	186.077224	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1395567"	204.0872	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"298463"	443.187076	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"691251"	664.276976	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1365121"	222.097176	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"140564"	222.097176	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"580489"	332.642126	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1052568"	111.552226	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"218282"	148.400542666667	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"656381"	222.097176	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1170498"	74.7039093333333	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"430488"	460.213623	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"794764"	681.303523	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1691095"	239.123723	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"336089"	230.6104495	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"737638"	341.1553995	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1490364"	120.0654995	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"407828"	465.169018	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"765298"	686.258918	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1613398"	244.079118	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"325621"	233.088147	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"716948"	343.633097	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1465303"	122.543197	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1056362"	82.0312233333333	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1263507"	254.123386	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"386460"	481.142958	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"748547"	702.232858	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1553881"	260.053058	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"308870"	241.075117	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"695094"	351.620067	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1457299"	130.530167	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"244807"	484.213626	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1222982"	263.123726	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1206867"	132.065501	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"200830"	487.15096	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"642589"	708.24086	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1146088"	266.06106	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"187194"	244.079118	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"626388"	354.624068	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1124790"	133.534168	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1406131"	89.3585373333333	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1444686"	268.102646	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"234502"	249.11214	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1524012"	282.15469	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"422250"	252.066088	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"784948"	362.611038	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1671921"	141.521138	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"261722"	506.195568	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1229326"	285.105668	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1714567"	285.129193	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1180158"	96.6858513333333	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1652119"	290.084588	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"160436"	519.09884	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"598418"	740.18874	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1084253"	298.00894	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"142178"	260.053058	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"590253"	370.598008	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1075858"	149.508108	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1115442"	300.023492	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1349710"	300.111107	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1019454"	304.150276	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1536487"	305.143908	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"998561"	152.578776	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1595254"	306.058528	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1416905"	336.090038	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1156670"	173.092051	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1700754"	353.116585	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1641872"	358.07198	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1573149"	374.04592	"C21039"	"N-Acetyl-D-allosamine;2-Acetamido-2-deoxy-D-allopyranose"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"806795"	150.0528	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M"	0
"975952"	131.03441	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"76960"	99.027924	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"513608"	149.045524	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"889224"	49.010324	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"12172"	149.045524	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"451733"	224.071924	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"830993"	74.019124	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"86243"	299.098324	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"530177"	449.151124	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"908950"	149.045524	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"59922"	316.124871	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"502284"	466.177671	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"878623"	166.072071	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"43245"	321.080266	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"480618"	471.133066	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"855137"	171.027466	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1622484"	171.027466	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"97918"	167.033863	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"536388"	242.060263	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"930995"	92.007463	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"269556"	335.075002	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"665258"	485.127802	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1283130"	185.022202	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"21310"	337.054206	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"465246"	487.107006	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"836487"	187.001406	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1559975"	187.001406	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"950046"	195.050994	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"373729"	345.103801	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"356525"	359.119451	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1505723"	209.066651	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"969615"	217.032951	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"119620"	185.022202	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"556993"	260.048602	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1023605"	109.995802	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1245371"	228.971685	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1318755"	231.027672	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1331877"	253.009629	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"916379"	263.038386	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1296371"	299.015064	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1377813"	115.040124	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1393854"	133.0501	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"298434"	301.112876	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"691326"	451.165676	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1364499"	151.060076	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"140675"	151.060076	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"580721"	226.086476	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1051584"	76.033676	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"218757"	101.042476	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"655761"	151.060076	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1170607"	51.024876	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"428412"	318.139423	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"793781"	468.192223	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1690841"	168.086623	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"334013"	159.5733495	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"737991"	234.5997495	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1489745"	84.5469495	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"406966"	323.094818	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"764316"	473.147618	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1613509"	173.042018	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"322450"	162.051047	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"713775"	237.077447	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1462496"	87.024647	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1054041"	58.35219	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1261431"	183.086286	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"385473"	339.068758	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"747564"	489.121558	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1552898"	189.015958	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"305699"	170.038017	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"695933"	245.064417	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1456316"	95.011617	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"244916"	342.139426	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1219812"	192.086626	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1201509"	96.546951	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"199483"	345.07676	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"639408"	495.12956	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1144010"	195.02396	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"186211"	173.042018	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"624312"	248.068418	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1123443"	98.015618	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1409521"	65.679504	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1444189"	197.065546	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"232426"	178.07504	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1521582"	211.11759	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"420903"	181.028988	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"784815"	256.055388	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1672031"	106.002588	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"261104"	364.121368	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1229072"	214.068568	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1714069"	214.092093	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1180390"	73.006818	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1652108"	219.047488	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"158971"	377.02464	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"597311"	527.07744	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1085717"	226.97184	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"142777"	189.015958	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"590362"	264.042358	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1077062"	113.989558	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1114529"	228.986392	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1347754"	229.074007	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1017377"	233.113176	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1533315"	234.106808	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"998669"	117.060226	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1595364"	235.021428	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1416651"	265.052938	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1158967"	137.573501	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1700864"	282.079485	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1641982"	287.03488	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1573259"	303.00882	"C21040"	"Apiose;3-C-(Hydroxymethyl)-D-erythofuranose;D-Apiose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"806905"	162.1004	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M"	0
"974844"	143.08201	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-H2O-H"	-19.01839
"77923"	107.059657333333	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M-3H"	-3.021828
"517002"	161.093124	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M-3H"	-3.021828
"891157"	53.0261906666667	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-3H"	-3.021828
"11919"	161.093124	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M-2H"	-2.014552
"452575"	242.143324	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M-2H"	-2.014552
"829646"	80.042924	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-2H"	-2.014552
"89632"	323.193524	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M-H"	-1.007276
"525912"	485.293924	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M-H"	-1.007276
"909672"	161.093124	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-H"	-1.007276
"61006"	340.220071	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M-2H+NH4"	16.019271
"502515"	502.320471	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M-2H+NH4"	16.019271
"879851"	178.119671	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-2H+NH4"	16.019271
"40075"	345.175466	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M-2H+Na"	20.974666
"479634"	507.275866	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M-2H+Na"	20.974666
"855247"	183.075066	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-2H+Na"	20.974666
"1622593"	183.075066	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Na-2H"	20.974666
"95843"	179.081463	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M-H+Cl"	33.962126
"539780"	260.131663	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M-H+Cl"	33.962126
"928919"	98.031263	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-H+Cl"	33.962126
"274040"	359.170202	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+Cl"	34.969402
"664275"	521.270602	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+Cl"	34.969402
"1284334"	197.069802	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Cl"	34.969402
"24701"	361.149406	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M-2H+K"	36.948606
"469368"	523.249806	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M-2H+K"	36.948606
"843158"	199.049006	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-2H+K"	36.948606
"1566647"	199.049006	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+K-2H"	36.948606
"954532"	207.098594	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-H+HCOOH"	44.998194
"371653"	369.199001	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+HCOOH-H"	44.998201
"357000"	383.214651	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+Hac-H"	59.013851
"1507654"	221.114251	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Hac-H"	59.013851
"968632"	229.080551	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-H+NaCOOH"	66.980151
"117543"	197.069802	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+2Cl"	69.938804
"557103"	278.120002	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+2Cl"	69.938804
"1024807"	116.019602	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2Cl"	69.938804
"1252041"	241.019285	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Br"	78.918885
"1317772"	243.075272	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Cl+HCOOH"	80.974872
"1330894"	265.057229	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Cl+NaCOOH"	102.956829
"917947"	275.085986	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M-H+CF3COOH"	112.985586
"1294292"	311.062664	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Cl+CF3COOH"	148.962264
"1375735"	127.087724	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H-2H2O"	-35.012676
"1396153"	145.0977	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H-H2O"	-17.0027
"298427"	325.208076	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+H"	1.007276
"691371"	487.308476	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+H"	1.007276
"1363880"	163.107676	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H"	1.007276
"141259"	163.107676	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+2H"	2.014552
"581296"	244.157876	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+2H"	2.014552
"1052548"	82.057476	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2H"	2.014552
"219233"	109.074209333333	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+3H"	3.021828
"657697"	163.107676	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+3H"	3.021828
"1172905"	55.0407426666667	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+3H"	3.021828
"432897"	342.234623	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+NH4"	18.033823
"793893"	504.335023	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+NH4"	18.033823
"1692409"	180.134223	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+NH4"	18.033823
"336310"	171.6209495	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+H+NH4"	19.041099
"737980"	252.6711495	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+H+NH4"	19.041099
"1490948"	90.5707495	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H+NH4"	19.041099
"406346"	347.190018	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+Na"	22.989218
"763333"	509.290418	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+Na"	22.989218
"1613619"	185.089618	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Na"	22.989218
"321466"	174.098647	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+H+Na"	23.996494
"714978"	255.148847	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+H+Na"	23.996494
"1463336"	93.048447	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H+Na"	23.996494
"1053302"	62.3680566666667	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2H+Na"	25.00377
"1261541"	195.133886	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+CH3OH+H"	33.033486
"385583"	363.163958	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+K"	38.963158
"748767"	525.264358	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+K"	38.963158
"1552643"	201.063558	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+K"	38.963158
"309089"	182.085617	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+H+K"	39.970434
"696043"	263.135817	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+H+K"	39.970434
"1458614"	101.035417	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H+K"	39.970434
"245026"	366.234626	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+ACN+H"	42.033826
"1222838"	204.134226	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+ACN+H"	42.033826
"1202712"	102.570751	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+ACN+2H"	43.041102
"199593"	369.17196	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+2Na-H"	44.97116
"639516"	531.27236	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+2Na-H"	44.97116
"1143754"	207.07156	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2Na-H"	44.97116
"184861"	185.089618	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+2Na"	45.978436
"624059"	266.139818	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+2Na"	45.978436
"1124282"	104.039418	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2Na"	45.978436
"1409631"	69.6953706666667	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H+2Na"	46.985712
"1440653"	209.113146	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H+HCOOH"	47.012746
"230350"	190.12264	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+3H2O+2H"	56.04448
"1519506"	223.16519	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+IsoProp+H"	61.06479
"421013"	193.076588	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+Na+K"	61.952376
"784804"	274.126788	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+Na+K"	61.952376
"1672141"	112.026388	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Na+K"	61.952376
"261214"	388.216568	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+ACN+Na"	64.015768
"1229182"	226.116168	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+ACN+Na"	64.015768
"1714786"	226.139693	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+NH4+HCOOH"	64.039293
"1182322"	77.0226846666667	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+3Na"	68.967654
"1652220"	231.095088	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Na+HCOOH"	68.994688
"159081"	401.11984	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+2K-H"	76.91904
"599733"	563.22024	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+2K-H"	76.91904
"1084975"	239.01944	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2K-H"	76.91904
"142643"	201.063558	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"2M+2K"	77.926316
"592659"	282.113758	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"3M+2K"	77.926316
"1079359"	120.013358	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2K"	77.926316
"1115127"	241.033992	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2K+H"	78.933592
"1346770"	241.121607	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+DMSO+H"	79.021207
"1020772"	245.160776	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2ACN+H"	83.060376
"1538654"	246.154408	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+IsoProp+Na+H"	84.054008
"998779"	123.084026	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+2ACN+2H"	84.067652
"1600941"	247.069028	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+K+HCOOH"	84.968628
"1417854"	277.100538	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+H+CF3COOH"	115.000138
"1160170"	143.597301	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+3ACN+2H"	125.094202
"1704254"	294.127085	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+NH4+CF3COOH"	132.026685
"1642092"	299.08248	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+Na+CF3COOH"	136.98208
"1574462"	315.05642	"C21041"	"Bacillosamine;24-Diamino-246-trideoxy-D-glucopyranose"	"C6H14N2O3"	"162.1004"	"M+K+CF3COOH"	152.95602
"813575"	210.074	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M"	0
"974590"	191.05561	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H2O-H"	-19.01839
"76090"	139.042057333333	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-3H"	-3.021828
"515652"	209.066724	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-3H"	-3.021828
"891631"	69.0173906666667	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-3H"	-3.021828
"13852"	209.066724	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H"	-2.014552
"453536"	314.103724	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H"	-2.014552
"831336"	104.029724	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H"	-2.014552
"89743"	419.140724	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-H"	-1.007276
"530397"	629.214724	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-H"	-1.007276
"910515"	209.066724	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H"	-1.007276
"62216"	436.167271	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H+NH4"	16.019271
"502303"	646.241271	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H+NH4"	16.019271
"879335"	226.093271	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H+NH4"	16.019271
"41278"	441.122666	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H+Na"	20.974666
"481933"	651.196666	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H+Na"	20.974666
"856451"	231.048666	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H+Na"	20.974666
"1628171"	231.048666	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na-2H"	20.974666
"97048"	227.055063	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-H+Cl"	33.962126
"544266"	332.092063	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-H+Cl"	33.962126
"932311"	122.018063	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+Cl"	33.962126
"280589"	455.117402	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Cl"	34.969402
"673134"	665.191402	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+Cl"	34.969402
"1286633"	245.043402	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl"	34.969402
"29555"	457.096606	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H+K"	36.948606
"469480"	667.170606	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H+K"	36.948606
"846186"	247.022606	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H+K"	36.948606
"1566757"	247.022606	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K-2H"	36.948606
"956464"	255.072194	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+HCOOH"	44.998194
"376139"	465.146201	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+HCOOH-H"	44.998201
"357840"	479.161851	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Hac-H"	59.013851
"1507037"	269.087851	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Hac-H"	59.013851
"971658"	277.054151	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+NaCOOH"	66.980151
"122027"	245.043402	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2Cl"	69.938804
"556120"	350.080402	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2Cl"	69.938804
"1024917"	140.006402	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2Cl"	69.938804
"1251059"	288.992885	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Br"	78.918885
"1315697"	291.048872	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl+HCOOH"	80.974872
"1329912"	313.030829	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl+NaCOOH"	102.956829
"917693"	323.059586	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+CF3COOH"	112.985586
"1297684"	359.036264	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl+CF3COOH"	148.962264
"1373659"	175.061324	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H-2H2O"	-35.012676
"1392250"	193.0713	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H-H2O"	-17.0027
"289749"	421.155276	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H"	1.007276
"690927"	631.229276	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H"	1.007276
"1361803"	211.081276	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H"	1.007276
"139796"	211.081276	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2H"	2.014552
"577166"	316.118276	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2H"	2.014552
"1049609"	106.044276	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2H"	2.014552
"217510"	141.056609333333	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+3H"	3.021828
"655982"	211.081276	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+3H"	3.021828
"1173015"	71.0319426666667	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+3H"	3.021828
"435194"	438.181823	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+NH4"	18.033823
"792909"	648.255823	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+NH4"	18.033823
"1691425"	228.107823	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+NH4"	18.033823
"339704"	219.5945495	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H+NH4"	19.041099
"735415"	324.6315495	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H+NH4"	19.041099
"1489234"	114.5575495	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+NH4"	19.041099
"403538"	443.137218	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Na"	22.989218
"763441"	653.211218	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+Na"	22.989218
"1612632"	233.063218	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na"	22.989218
"324491"	222.072247	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H+Na"	23.996494
"712902"	327.109247	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H+Na"	23.996494
"1462717"	117.035247	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+Na"	23.996494
"1053775"	78.3592566666667	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2H+Na"	25.00377
"1261651"	243.107486	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+CH3OH+H"	33.033486
"384603"	459.111158	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+K"	38.963158
"747786"	669.185158	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+K"	38.963158
"1554457"	249.037158	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K"	38.963158
"309200"	230.059217	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H+K"	39.970434
"702718"	335.096217	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H+K"	39.970434
"1459818"	125.022217	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+K"	39.970434
"248420"	462.181826	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+ACN+H"	42.033826
"1223071"	252.107826	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+ACN+H"	42.033826
"1206103"	126.557551	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+ACN+2H"	43.041102
"200433"	465.11916	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2Na-H"	44.97116
"641823"	675.19316	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2Na-H"	44.97116
"1144234"	255.04516	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2Na-H"	44.97116
"185706"	233.063218	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2Na"	45.978436
"624535"	338.100218	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2Na"	45.978436
"1127311"	128.026218	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2Na"	45.978436
"1403179"	85.6865706666667	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+2Na"	46.985712
"1436390"	257.086746	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+HCOOH"	47.012746
"232283"	238.09624	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+3H2O+2H"	56.04448
"1518522"	271.13879	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+IsoProp+H"	61.06479
"421123"	241.050188	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Na+K"	61.952376
"781025"	346.087188	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+Na+K"	61.952376
"1671158"	136.013188	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na+K"	61.952376
"254030"	484.163768	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+ACN+Na"	64.015768
"1231475"	274.089768	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+ACN+Na"	64.015768
"1717081"	274.113293	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+NH4+HCOOH"	64.039293
"1181705"	93.0138846666667	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+3Na"	68.967654
"1655608"	279.068688	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na+HCOOH"	68.994688
"160284"	497.06704	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2K-H"	76.91904
"602030"	707.14104	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2K-H"	76.91904
"1089824"	286.99304	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2K-H"	76.91904
"142629"	249.037158	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2K"	77.926316
"587298"	354.074158	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2K"	77.926316
"1076189"	144.000158	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2K"	77.926316
"1114629"	289.007592	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2K+H"	78.933592
"1349066"	289.095207	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+DMSO+H"	79.021207
"1020761"	293.134376	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2ACN+H"	83.060376
"1539249"	294.128008	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+IsoProp+Na+H"	84.054008
"998889"	147.070826	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2ACN+2H"	84.067652
"1602511"	295.042628	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K+HCOOH"	84.968628
"1420151"	325.074138	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+CF3COOH"	115.000138
"1160281"	167.584101	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+3ACN+2H"	125.094202
"1704365"	342.100685	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+NH4+CF3COOH"	132.026685
"1645483"	347.05608	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na+CF3COOH"	136.98208
"1576759"	363.03002	"C21042"	"D-glycero-D-manno-Heptose;D-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K+CF3COOH"	152.95602
"801447"	210.074	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M"	0
"974275"	191.05561	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H2O-H"	-19.01839
"76927"	139.042057333333	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-3H"	-3.021828
"514670"	209.066724	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-3H"	-3.021828
"893563"	69.0173906666667	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-3H"	-3.021828
"15340"	209.066724	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H"	-2.014552
"454248"	314.103724	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H"	-2.014552
"832462"	104.029724	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H"	-2.014552
"88760"	419.140724	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-H"	-1.007276
"530507"	629.214724	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-H"	-1.007276
"907217"	209.066724	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H"	-1.007276
"62487"	436.167271	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H+NH4"	16.019271
"502614"	646.241271	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H+NH4"	16.019271
"879691"	226.093271	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H+NH4"	16.019271
"41388"	441.122666	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H+Na"	20.974666
"484229"	651.196666	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H+Na"	20.974666
"853282"	231.048666	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H+Na"	20.974666
"1625001"	231.048666	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na-2H"	20.974666
"97156"	227.055063	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-H+Cl"	33.962126
"544376"	332.092063	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-H+Cl"	33.962126
"930234"	122.018063	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+Cl"	33.962126
"280820"	455.117402	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Cl"	34.969402
"673244"	665.191402	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+Cl"	34.969402
"1286742"	245.043402	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl"	34.969402
"31080"	457.096606	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M-2H+K"	36.948606
"470926"	667.170606	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M-2H+K"	36.948606
"846660"	247.022606	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-2H+K"	36.948606
"1566867"	247.022606	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K-2H"	36.948606
"956210"	255.072194	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+HCOOH"	44.998194
"376613"	465.146201	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+HCOOH-H"	44.998201
"360622"	479.161851	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Hac-H"	59.013851
"1506781"	269.087851	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Hac-H"	59.013851
"964479"	277.054151	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+NaCOOH"	66.980151
"116669"	245.043402	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2Cl"	69.938804
"556230"	350.080402	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2Cl"	69.938804
"1023934"	140.006402	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2Cl"	69.938804
"1251168"	288.992885	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Br"	78.918885
"1314713"	291.048872	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl+HCOOH"	80.974872
"1328928"	313.030829	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl+NaCOOH"	102.956829
"917803"	323.059586	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M-H+CF3COOH"	112.985586
"1296699"	359.036264	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Cl+CF3COOH"	148.962264
"1372674"	175.061324	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H-2H2O"	-35.012676
"1392724"	193.0713	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H-H2O"	-17.0027
"293506"	421.155276	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H"	1.007276
"689574"	631.229276	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H"	1.007276
"1362277"	211.081276	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H"	1.007276
"136626"	211.081276	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2H"	2.014552
"576184"	316.118276	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2H"	2.014552
"1040606"	106.044276	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2H"	2.014552
"214339"	141.056609333333	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+3H"	3.021828
"656457"	211.081276	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+3H"	3.021828
"1176285"	71.0319426666667	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+3H"	3.021828
"437128"	438.181823	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+NH4"	18.033823
"797759"	648.255823	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+NH4"	18.033823
"1691535"	228.107823	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+NH4"	18.033823
"339814"	219.5945495	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H+NH4"	19.041099
"734432"	324.6315495	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H+NH4"	19.041099
"1490437"	114.5575495	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+NH4"	19.041099
"403648"	443.137218	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Na"	22.989218
"764645"	653.211218	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+Na"	22.989218
"1612742"	233.063218	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na"	22.989218
"323872"	222.072247	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H+Na"	23.996494
"711919"	327.109247	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H+Na"	23.996494
"1467931"	117.035247	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+Na"	23.996494
"1056803"	78.3592566666667	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2H+Na"	25.00377
"1261761"	243.107486	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+CH3OH+H"	33.033486
"384714"	459.111158	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+K"	38.963158
"751177"	669.185158	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+K"	38.963158
"1554931"	249.037158	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K"	38.963158
"312226"	230.059217	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+H+K"	39.970434
"703921"	335.096217	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+H+K"	39.970434
"1460618"	125.022217	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+K"	39.970434
"247437"	462.181826	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+ACN+H"	42.033826
"1221237"	252.107826	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+ACN+H"	42.033826
"1202934"	126.557551	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+ACN+2H"	43.041102
"199085"	465.11916	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2Na-H"	44.97116
"643021"	675.19316	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2Na-H"	44.97116
"1144340"	255.04516	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2Na-H"	44.97116
"185447"	233.063218	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2Na"	45.978436
"622820"	338.100218	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2Na"	45.978436
"1128513"	128.026218	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2Na"	45.978436
"1401102"	85.6865706666667	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+2Na"	46.985712
"1434312"	257.086746	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+HCOOH"	47.012746
"232390"	238.09624	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+3H2O+2H"	56.04448
"1520091"	271.13879	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+IsoProp+H"	61.06479
"419777"	241.050188	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+Na+K"	61.952376
"781136"	346.087188	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+Na+K"	61.952376
"1671268"	136.013188	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na+K"	61.952376
"254871"	484.163768	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+ACN+Na"	64.015768
"1231585"	274.089768	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+ACN+Na"	64.015768
"1718285"	274.113293	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+NH4+HCOOH"	64.039293
"1182545"	93.0138846666667	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+3Na"	68.967654
"1654625"	279.068688	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na+HCOOH"	68.994688
"161487"	497.06704	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2K-H"	76.91904
"598860"	707.14104	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2K-H"	76.91904
"1087748"	286.99304	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2K-H"	76.91904
"147845"	249.037158	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"2M+2K"	77.926316
"584488"	354.074158	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"3M+2K"	77.926316
"1069609"	144.000158	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2K"	77.926316
"1115101"	289.007592	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2K+H"	78.933592
"1349176"	289.095207	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+DMSO+H"	79.021207
"1020871"	293.134376	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2ACN+H"	83.060376
"1538996"	294.128008	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+IsoProp+Na+H"	84.054008
"998999"	147.070826	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+2ACN+2H"	84.067652
"1601892"	295.042628	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K+HCOOH"	84.968628
"1420261"	325.074138	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+H+CF3COOH"	115.000138
"1160391"	167.584101	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+3ACN+2H"	125.094202
"1704475"	342.100685	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+NH4+CF3COOH"	132.026685
"1645593"	347.05608	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+Na+CF3COOH"	136.98208
"1576869"	363.03002	"C21043"	"L-glycero-D-manno-Heptose;L-glycero-D-manno-Heptopyranose"	"C7H14O7"	"210.074"	"M+K+CF3COOH"	152.95602
"803954"	222.0376	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M"	0
"974365"	203.01921	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-H2O-H"	-19.01839
"77402"	147.017790666667	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M-3H"	-3.021828
"515873"	221.030324	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M-3H"	-3.021828
"895134"	73.0052573333333	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-3H"	-3.021828
"12251"	221.030324	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M-2H"	-2.014552
"453634"	332.049124	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M-2H"	-2.014552
"832164"	110.011524	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-2H"	-2.014552
"93246"	443.067924	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M-H"	-1.007276
"532685"	665.105524	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M-H"	-1.007276
"909513"	221.030324	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-H"	-1.007276
"62761"	460.094471	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M-2H+NH4"	16.019271
"502726"	682.132071	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M-2H+NH4"	16.019271
"878456"	238.056871	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-2H+NH4"	16.019271
"45264"	465.049866	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M-2H+Na"	20.974666
"485069"	687.087466	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M-2H+Na"	20.974666
"853394"	243.012266	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-2H+Na"	20.974666
"1625111"	243.012266	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Na-2H"	20.974666
"98363"	239.018663	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M-H+Cl"	33.962126
"541204"	350.037463	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M-H+Cl"	33.962126
"931437"	127.999863	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-H+Cl"	33.962126
"281661"	479.044602	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+Cl"	34.969402
"673719"	701.082202	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+Cl"	34.969402
"1286490"	257.007002	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Cl"	34.969402
"30503"	481.023806	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M-2H+K"	36.948606
"470676"	703.061406	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M-2H+K"	36.948606
"847135"	258.986206	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-2H+K"	36.948606
"1566977"	258.986206	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+K-2H"	36.948606
"956684"	267.035794	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-H+HCOOH"	44.998194
"376771"	489.073401	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+HCOOH-H"	44.998201
"360610"	503.089051	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+Hac-H"	59.013851
"1506889"	281.051451	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Hac-H"	59.013851
"966775"	289.017751	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-H+NaCOOH"	66.980151
"116779"	257.007002	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+2Cl"	69.938804
"556340"	368.025802	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+2Cl"	69.938804
"1024045"	145.988202	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2Cl"	69.938804
"1246175"	300.956485	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Br"	78.918885
"1314829"	303.012472	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Cl+HCOOH"	80.974872
"1332322"	324.994429	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Cl+NaCOOH"	102.956829
"916821"	335.023186	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M-H+CF3COOH"	112.985586
"1297902"	370.999864	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Cl+CF3COOH"	148.962264
"1373876"	187.024924	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H-2H2O"	-35.012676
"1391374"	205.0349	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H-H2O"	-17.0027
"293616"	445.082476	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+H"	1.007276
"689563"	667.120076	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+H"	1.007276
"1363116"	223.044876	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H"	1.007276
"137829"	223.044876	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+2H"	2.014552
"576658"	334.063676	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+2H"	2.014552
"1043268"	112.026076	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2H"	2.014552
"207158"	149.032342666667	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+3H"	3.021828
"656204"	223.044876	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+3H"	3.021828
"1176880"	75.0198093333333	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+3H"	3.021828
"436508"	462.109023	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+NH4"	18.033823
"798597"	684.146623	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+NH4"	18.033823
"1691645"	240.071423	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+NH4"	18.033823
"341748"	231.5581495	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+H+NH4"	19.041099
"733448"	342.5769495	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+H+NH4"	19.041099
"1488362"	120.5393495	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H+NH4"	19.041099
"406676"	467.064418	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+Na"	22.989218
"762567"	689.102018	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+Na"	22.989218
"1611759"	245.026818	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Na"	22.989218
"322889"	234.035847	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+H+Na"	23.996494
"713122"	345.054647	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+H+Na"	23.996494
"1469135"	123.017047	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H+Na"	23.996494
"1061287"	82.3471233333333	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2H+Na"	25.00377
"1266247"	255.071086	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+CH3OH+H"	33.033486
"382636"	483.038358	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+K"	38.963158
"750193"	705.075958	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+K"	38.963158
"1555161"	261.000758	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+K"	38.963158
"312336"	242.022817	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+H+K"	39.970434
"702206"	353.041617	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+H+K"	39.970434
"1459675"	131.004017	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H+K"	39.970434
"246454"	486.109026	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+ACN+H"	42.033826
"1220254"	264.071426	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+ACN+H"	42.033826
"1203044"	132.539351	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+ACN+2H"	43.041102
"198102"	489.04636	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+2Na-H"	44.97116
"641673"	711.08396	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+2Na-H"	44.97116
"1142627"	267.00876	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2Na-H"	44.97116
"186287"	245.026818	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+2Na"	45.978436
"625847"	356.045618	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+2Na"	45.978436
"1128259"	134.008018	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2Na"	45.978436
"1403400"	89.6744373333333	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H+2Na"	46.985712
"1436610"	269.050346	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H+HCOOH"	47.012746
"231407"	250.05984	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+3H2O+2H"	56.04448
"1521294"	283.10239	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+IsoProp+H"	61.06479
"420250"	253.013788	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+Na+K"	61.952376
"780517"	364.032588	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+Na+K"	61.952376
"1669192"	141.994988	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Na+K"	61.952376
"258992"	508.090968	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+ACN+Na"	64.015768
"1232060"	286.053368	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+ACN+Na"	64.015768
"1719489"	286.076893	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+NH4+HCOOH"	64.039293
"1184841"	97.0017513333333	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+3Na"	68.967654
"1654735"	291.032288	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Na+HCOOH"	68.994688
"164879"	520.99424	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+2K-H"	76.91904
"601522"	743.03184	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+2K-H"	76.91904
"1090409"	298.95664	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2K-H"	76.91904
"145766"	261.000758	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"2M+2K"	77.926316
"585327"	372.019558	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"3M+2K"	77.926316
"1077502"	149.981958	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2K"	77.926316
"1115332"	300.971192	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2K+H"	78.933592
"1349286"	301.058807	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+DMSO+H"	79.021207
"1020747"	305.097976	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2ACN+H"	83.060376
"1539469"	306.091608	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+IsoProp+Na+H"	84.054008
"999109"	153.052626	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+2ACN+2H"	84.067652
"1601881"	307.006228	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+K+HCOOH"	84.968628
"1423652"	337.037738	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+H+CF3COOH"	115.000138
"1161595"	173.565901	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+3ACN+2H"	125.094202
"1707865"	354.064285	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+NH4+CF3COOH"	132.026685
"1648619"	359.01968	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+Na+CF3COOH"	136.98208
"1576979"	374.99362	"C21044"	"3-Deoxy-lyxo-heptulosaric acid;3-Deoxy-D-lyxo-hept-2-ulopyranosaric acid"	"C7H10O8"	"222.0376"	"M+K+CF3COOH"	152.95602
"801752"	148.0736	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M"	0
"975404"	129.05521	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"74590"	97.7084573333333	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"515984"	147.066324	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"893056"	48.3505906666667	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"13820"	147.066324	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"454107"	221.103124	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"831184"	73.029524	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"94129"	295.139924	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"532795"	443.213524	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"908529"	147.066324	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"60231"	312.166471	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"502308"	460.240071	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"878201"	164.092871	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"45009"	317.121866	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"484936"	465.195466	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"855691"	169.048266	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1620851"	169.048266	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"97380"	165.054663	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"540222"	239.091463	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"934829"	91.017863	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"281530"	331.116602	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"671279"	479.190202	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1287329"	183.043002	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"30572"	333.095806	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"471151"	481.169406	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"844693"	185.022206	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1570249"	185.022206	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"956066"	193.071794	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"373551"	341.145401	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"361088"	355.161051	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1507932"	207.087451	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"966885"	215.053751	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"117982"	183.043002	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"559731"	257.079802	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1024155"	109.006202	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1244827"	226.992485	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1316032"	229.048472	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1334497"	251.030429	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"920211"	261.059186	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1299106"	297.035864	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1376174"	113.060924	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1392577"	131.0709	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"293362"	297.154476	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"691095"	445.228076	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1365051"	149.080876	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"140006"	149.080876	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"579322"	223.117676	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1050307"	75.044076	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"218211"	99.7230093333333	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"655951"	149.080876	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1175170"	50.3651426666667	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"437348"	314.181023	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"797615"	462.254623	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1693581"	166.107423	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"342588"	157.5941495	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"730278"	231.6309495	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1488472"	83.5573495	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"403870"	319.136418	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"761584"	467.210018	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1610775"	171.062818	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"319719"	160.071847	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"711410"	234.108647	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1469245"	86.035047	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1059210"	57.6924566666667	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1263439"	181.107086	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"383839"	335.110358	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"745929"	483.183958	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1551262"	187.036758	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"309531"	168.058817	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"704140"	242.095617	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1456869"	94.022017	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"250573"	338.181026	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1224376"	190.107426	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1205707"	95.557351	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"201126"	341.11836	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"641419"	489.19196	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1144562"	193.04476	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"185305"	171.062818	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"622677"	245.099618	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1128007"	97.026018	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1403511"	65.0197706666667	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1440001"	195.086346	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"228603"	176.09584	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1513385"	209.13839	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"421455"	179.049788	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"784278"	253.086588	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1677688"	105.012988	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"263479"	360.162968	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1232904"	212.089368	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1716323"	212.112893	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1183862"	72.3470846666667	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1654848"	217.068288	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"159887"	373.06624	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"600177"	521.13984	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1090158"	224.99264	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"152439"	187.036758	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"584350"	261.073558	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1082232"	112.999958	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1114471"	227.007192	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1351232"	227.094807	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1021137"	231.133976	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1539214"	232.127608	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"998125"	116.070626	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1602358"	233.042228	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1427774"	263.073738	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1159520"	136.583901	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1710162"	280.100285	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1649093"	285.05568	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1577089"	301.02962	"C21045"	"D-Digitoxose;26-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"802229"	205.095	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M"	0
"974473"	186.07661	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-H2O-H"	-19.01839
"63513"	135.722724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M-3H"	-3.021828
"516086"	204.087724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M-3H"	-3.021828
"892072"	67.357724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-3H"	-3.021828
"14289"	204.087724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M-2H"	-2.014552
"452396"	306.635224	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M-2H"	-2.014552
"829103"	101.540224	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-2H"	-2.014552
"92130"	409.182724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M-H"	-1.007276
"531811"	614.277724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M-H"	-1.007276
"908518"	204.087724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-H"	-1.007276
"59733"	426.209271	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M-2H+NH4"	16.019271
"498929"	631.304271	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M-2H+NH4"	16.019271
"874907"	221.114271	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-2H+NH4"	16.019271
"43539"	431.164666	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M-2H+Na"	20.974666
"480184"	636.259666	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M-2H+Na"	20.974666
"848871"	226.069666	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-2H+Na"	20.974666
"1618848"	226.069666	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Na-2H"	20.974666
"95301"	222.076063	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M-H+Cl"	33.962126
"534367"	324.623563	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M-H+Cl"	33.962126
"928379"	119.528563	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-H+Cl"	33.962126
"274589"	445.159402	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+Cl"	34.969402
"664824"	650.254402	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+Cl"	34.969402
"1276135"	240.064402	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Cl"	34.969402
"18690"	447.138606	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M-2H+K"	36.948606
"465907"	652.233606	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M-2H+K"	36.948606
"843709"	242.043606	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-2H+K"	36.948606
"1563917"	242.043606	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+K-2H"	36.948606
"953988"	250.093194	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-H+HCOOH"	44.998194
"367827"	455.188201	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+HCOOH-H"	44.998201
"360464"	469.203851	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+Hac-H"	59.013851
"1506017"	264.108851	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Hac-H"	59.013851
"964808"	272.075151	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-H+NaCOOH"	66.980151
"111529"	240.064402	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+2Cl"	69.938804
"559841"	342.611902	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+2Cl"	69.938804
"1023656"	137.516902	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2Cl"	69.938804
"1244208"	284.013885	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Br"	78.918885
"1315049"	286.069872	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Cl+HCOOH"	80.974872
"1333271"	308.051829	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Cl+NaCOOH"	102.956829
"919226"	318.080586	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M-H+CF3COOH"	112.985586
"1301767"	354.057264	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Cl+CF3COOH"	148.962264
"1373003"	170.082324	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H-2H2O"	-35.012676
"1387219"	188.0923	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H-H2O"	-17.0027
"294928"	411.197276	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+H"	1.007276
"690512"	616.292276	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+H"	1.007276
"1365161"	206.102276	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H"	1.007276
"139873"	206.102276	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+2H"	2.014552
"578703"	308.649776	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+2H"	2.014552
"1049688"	103.554776	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2H"	2.014552
"217591"	137.737276	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+3H"	3.021828
"657154"	206.102276	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+3H"	3.021828
"1175767"	69.372276	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+3H"	3.021828
"437094"	428.223823	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+NH4"	18.033823
"798090"	633.318823	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+NH4"	18.033823
"1694419"	223.128823	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+NH4"	18.033823
"343427"	214.6155495	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+H+NH4"	19.041099
"730388"	317.1630495	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+H+NH4"	19.041099
"1488582"	112.0680495	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H+NH4"	19.041099
"403980"	433.179218	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+Na"	22.989218
"761694"	638.274218	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+Na"	22.989218
"1610885"	228.084218	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Na"	22.989218
"319829"	217.093247	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+H+Na"	23.996494
"711156"	319.640747	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+H+Na"	23.996494
"1466076"	114.545747	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H+Na"	23.996494
"1058227"	76.69959	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2H+Na"	25.00377
"1262093"	238.128486	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+CH3OH+H"	33.033486
"382856"	449.153158	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+K"	38.963158
"743854"	654.248158	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+K"	38.963158
"1548092"	244.058158	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+K"	38.963158
"306361"	225.080217	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+H+K"	39.970434
"699875"	327.627717	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+H+K"	39.970434
"1454790"	122.532717	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H+K"	39.970434
"247767"	452.223826	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+ACN+H"	42.033826
"1220477"	247.128826	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+ACN+H"	42.033826
"1205452"	124.068051	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+ACN+2H"	43.041102
"196135"	455.16116	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+2Na-H"	44.97116
"640800"	660.25616	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+2Na-H"	44.97116
"1142486"	250.06616	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2Na-H"	44.97116
"183226"	228.084218	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+2Na"	45.978436
"620964"	330.631718	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+2Na"	45.978436
"1126657"	125.536718	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2Na"	45.978436
"1406901"	84.026904	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H+2Na"	46.985712
"1436829"	252.107746	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H+HCOOH"	47.012746
"227619"	233.11724	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+3H2O+2H"	56.04448
"1520056"	266.15979	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+IsoProp+H"	61.06479
"419741"	236.071188	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+Na+K"	61.952376
"782559"	338.618688	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+Na+K"	61.952376
"1672692"	133.523688	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Na+K"	61.952376
"261402"	474.205768	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+ACN+Na"	64.015768
"1235202"	269.110768	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+ACN+Na"	64.015768
"1719714"	269.134293	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+NH4+HCOOH"	64.039293
"1183973"	91.354218	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+3Na"	68.967654
"1652771"	274.089688	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Na+HCOOH"	68.994688
"158539"	487.10904	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+2K-H"	76.91904
"600285"	692.20404	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+2K-H"	76.91904
"1086985"	282.01404	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2K-H"	76.91904
"143800"	244.058158	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"2M+2K"	77.926316
"584824"	346.605658	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"3M+2K"	77.926316
"1082827"	141.510658	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2K"	77.926316
"1109839"	284.028592	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2K+H"	78.933592
"1351258"	284.116207	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+DMSO+H"	79.021207
"1020835"	288.155376	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2ACN+H"	83.060376
"1535798"	289.149008	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+IsoProp+Na+H"	84.054008
"996048"	144.581326	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+2ACN+2H"	84.067652
"1601496"	290.063628	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+K+HCOOH"	84.968628
"1426061"	320.095138	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+H+CF3COOH"	115.000138
"1159266"	165.094601	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+3ACN+2H"	125.094202
"1710272"	337.121685	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+NH4+CF3COOH"	132.026685
"1645923"	342.07708	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+Na+CF3COOH"	136.98208
"1577199"	358.05102	"C21046"	"N-Acetyl-L-fucosamine;2-Acetamido-26-dideoxy-L-galactopyranose"	"C8H15NO5"	"205.095"	"M+K+CF3COOH"	152.95602
"802096"	194.0427	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"975625"	175.02431	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"63872"	128.354524	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"517533"	193.035424	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"894004"	63.673624	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"14040"	193.035424	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"452504"	290.056774	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"828850"	96.014074	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"92481"	387.078124	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"529855"	581.120824	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"905469"	193.035424	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"58750"	404.104671	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"499403"	598.147371	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"876111"	210.061971	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"44741"	409.060066	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"481387"	603.102766	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"851533"	215.017366	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1621067"	215.017366	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"95082"	211.023763	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"535700"	308.045113	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"927633"	114.002413	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"274699"	423.054802	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"665298"	617.097502	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1276245"	229.012102	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"22081"	425.034006	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"466017"	619.076706	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"841632"	230.991306	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1564027"	230.991306	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"954098"	239.040894	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"367937"	433.083601	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"357290"	447.099251	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1508195"	253.056551	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"968198"	261.022851	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"111639"	229.012102	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"556671"	326.033452	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1022916"	131.990752	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1242493"	272.961585	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1316981"	275.017572	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1331556"	296.999529	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"918243"	307.028286	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1299325"	343.004964	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1373113"	159.030024	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1387329"	177.04	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"297225"	389.092676	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"687826"	583.135376	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1365270"	195.049976	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"139618"	195.049976	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"575895"	292.071326	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1046517"	98.028626	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"217334"	130.369076	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"658843"	195.049976	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1176482"	65.688176	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"438539"	406.119223	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"798563"	600.161923	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1694528"	212.076523	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"343536"	203.5632495	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"730499"	300.5845995	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1490514"	106.5418995	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"404090"	411.074618	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"761804"	605.117318	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1610995"	217.031918	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"319939"	206.040947	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"712359"	303.062297	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1467279"	109.019597	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1061618"	73.01549	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1262203"	227.076186	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"384060"	427.048558	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"746151"	621.091258	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1547109"	233.005858	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"304284"	214.027917	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"696705"	311.049267	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1455993"	117.006567	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"245690"	430.119226	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1220587"	236.076526	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1205562"	118.541901	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"197337"	433.05656	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"640910"	627.09926	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1144055"	239.01386	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"184429"	217.031918	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"624356"	314.053268	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1128590"	120.010568	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1405918"	80.342804	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1436941"	241.055446	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"226635"	222.06494	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1519072"	255.10749	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"415478"	225.018888	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"779752"	322.040238	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1673895"	127.997538	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"261511"	452.101168	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1233126"	258.058468	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1719824"	258.081993	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1184083"	87.670118	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1652881"	263.037388	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"159742"	465.00444	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"600395"	659.04714	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1087095"	270.96174	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"143910"	233.005858	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"584934"	330.027208	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1082817"	135.984508	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1109949"	272.976292	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1351081"	273.063907	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1021067"	277.103076	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1536272"	278.096708	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"997251"	139.055176	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1601601"	279.011328	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1425079"	309.042838	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1159741"	159.568451	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1711475"	326.069385	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1647856"	331.02478	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1577309"	346.99872	"C21047"	"D-Guluronic acid;D-Gulopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"802571"	179.0794	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M"	0
"976463"	160.06101	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"64342"	118.378990666667	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"518173"	178.072124	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"894603"	58.6858573333333	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"14150"	178.072124	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"453709"	267.611824	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"830054"	88.532424	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"92470"	357.151524	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"531059"	536.230924	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"907768"	178.072124	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"59953"	374.178071	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"501094"	553.257471	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"876950"	195.098671	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"45582"	379.133466	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"482590"	558.212866	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"851647"	200.054066	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1621178"	200.054066	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"96979"	196.060463	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"536902"	285.600163	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"929688"	106.520763	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"274809"	393.128202	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"662127"	572.207602	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1278542"	214.048802	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"20004"	395.107406	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"465033"	574.186806	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"841743"	216.028006	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1563044"	216.028006	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"954208"	224.077594	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"374609"	403.157001	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"357400"	417.172651	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1506730"	238.093251	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"969402"	246.059551	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"112842"	214.048802	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"556781"	303.588502	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1023755"	124.509102	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1243698"	257.998285	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1317451"	260.054272	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1329478"	282.036229	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"915071"	292.064986	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1291778"	328.041664	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1372130"	144.066724	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1391815"	162.0767	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"292230"	359.166076	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"688661"	538.245476	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1364285"	180.086676	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"138632"	180.086676	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"571629"	269.626376	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1040428"	90.546976	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"208327"	120.393542666667	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"651170"	180.086676	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1165285"	60.7004093333333	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"437559"	376.192623	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"799766"	555.272023	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1694639"	197.113223	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"342553"	188.5999495	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"730608"	278.1396495	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1490988"	99.0602495	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"406389"	381.148018	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"764101"	560.227418	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1612198"	202.068618	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"323329"	191.077647	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"712469"	280.617347	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1469576"	101.537947	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1062822"	68.0277233333333	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1262313"	212.112886	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"386357"	397.121958	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"748447"	576.201358	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1547219"	218.042558	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"304394"	199.064617	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"696815"	288.604317	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1457196"	109.524917	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"247986"	400.192626	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1216325"	221.113226	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1205673"	111.060251	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"199635"	403.12996	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"640292"	582.20936	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1143072"	224.05056	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"182717"	202.068618	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"621185"	291.608318	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1129673"	112.528918	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1403840"	75.3550373333333	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1437050"	226.092146	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"226747"	207.10164	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1516993"	240.14419	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"414495"	210.055588	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"775488"	299.595288	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1669631"	120.515888	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"256150"	422.174568	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1228855"	243.095168	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1716648"	243.118693	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1182002"	82.6823513333333	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1652988"	248.074088	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"169690"	435.07784	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"607065"	614.15724	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1090484"	255.99844	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"144018"	218.042558	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"584676"	307.582258	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1076848"	128.502858	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1108965"	258.012992	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1350586"	258.100607	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1018260"	262.139776	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1537111"	263.133408	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"995174"	131.573526	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1589676"	264.048028	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1427740"	294.079538	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1156572"	152.086801	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1709767"	311.106085	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1646874"	316.06148	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1580699"	332.03542	"C21048"	"D-Gulosamine;2-Amino-2-deoxy-D-gulopyranose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"814346"	221.0899	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M"	0
"982411"	202.07151	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"73934"	146.385990666667	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"517879"	220.082624	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"894109"	72.6893573333333	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"14747"	220.082624	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"453094"	330.627574	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"829437"	109.537674	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"93315"	441.172524	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"531171"	662.262424	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"908973"	220.082624	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"58977"	458.199071	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"500358"	679.288971	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"879251"	237.109171	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"44237"	463.154466	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"484891"	684.244366	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"850665"	242.064566	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1626758"	242.064566	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"101100"	238.070963	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"543942"	348.615913	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"937457"	127.526013	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"278202"	477.149202	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"670625"	698.239102	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1284120"	256.059302	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"28864"	479.128406	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"470247"	700.218306	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"848302"	258.038506	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1570857"	258.038506	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"958172"	266.088094	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"376505"	487.178001	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"360761"	501.193651	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1508010"	280.103751	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"972919"	288.070051	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"116237"	256.059302	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"561266"	366.604252	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1031158"	145.514352	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1250736"	300.008785	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1316468"	302.064772	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1334695"	324.046729	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"917368"	334.075486	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1292619"	370.052164	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1373698"	186.077224	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1394841"	204.0872	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"292340"	443.187076	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"690595"	664.276976	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1362573"	222.097176	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"137283"	222.097176	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"571739"	332.642126	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1043817"	111.552226	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"211718"	148.400542666667	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"651278"	222.097176	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1169405"	74.7039093333333	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"433772"	460.213623	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"792580"	681.303523	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1695479"	239.123723	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"343392"	230.6104495	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"731812"	341.1553995	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1490006"	120.0654995	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"406135"	465.169018	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"764212"	686.258918	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1613402"	244.079118	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"323439"	233.088147	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"714765"	343.633097	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1469686"	122.543197	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1060744"	82.0312233333333	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1263516"	254.123386	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"385374"	481.142958	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"748557"	702.232858	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1548422"	260.053058	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"304504"	241.075117	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"703486"	351.620067	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1458399"	130.530167	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"250162"	484.213626	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1218621"	263.123726	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1205784"	132.065501	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"201936"	487.15096	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"644009"	708.24086	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1145005"	266.06106	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"187567"	244.079118	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"622388"	354.624068	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1130269"	133.534168	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1408324"	89.3585373333333	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1440440"	268.102646	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"230137"	249.11214	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1517102"	282.15469	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"413513"	252.066088	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"779973"	362.611038	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1674115"	141.521138	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"259539"	506.195568	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1235526"	285.105668	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1721133"	285.129193	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1185393"	96.6858513333333	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1659660"	290.084588	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"167614"	519.09884	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"599519"	740.18874	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1088407"	298.00894	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"147410"	260.053058	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"584786"	370.598008	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1080238"	149.508108	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1113449"	300.023492	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1348741"	300.111107	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1020067"	304.150276	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1538923"	305.143908	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"1000751"	152.578776	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1591973"	306.058528	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1417637"	336.090038	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1158869"	173.092051	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1711696"	353.116585	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1649047"	358.07198	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1577529"	374.04592	"C21049"	"N-Acetyl-D-gulosamine;2-Acetamido-2-deoxy-D-gulopyranose"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"801547"	180.0634	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M"	0
"975955"	161.04501	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"65296"	119.034990666667	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"518381"	179.056124	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"895622"	59.0138573333333	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"15549"	179.056124	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"454907"	269.087824	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"830644"	89.024424	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"94030"	359.119524	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"532015"	539.182924	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"907994"	179.056124	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"62124"	376.146071	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"502536"	556.209471	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"877903"	196.082671	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"45075"	381.101466	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"483907"	561.164866	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"856242"	201.038066	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1625775"	201.038066	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"97929"	197.044463	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"538584"	287.076163	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"937567"	107.012763	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"278312"	395.096202	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"671828"	575.159602	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1284230"	215.032802	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"28974"	397.075406	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"469993"	577.138806	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"848252"	217.012006	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1570075"	217.012006	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"958412"	225.061594	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"376049"	405.125001	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"361389"	419.140651	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1508037"	239.077251	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"973877"	247.043551	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"116711"	215.032802	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"560283"	305.064502	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1032361"	125.001102	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1249752"	258.982285	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1319132"	261.038272	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1334440"	283.020229	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"914931"	293.048986	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1296379"	329.025664	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1377823"	145.050724	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1393133"	163.0607	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"295006"	361.134076	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"689250"	541.197476	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1363778"	181.070676	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"138855"	181.070676	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"579506"	271.102376	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1051951"	91.038976	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"215841"	121.049542666667	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"653578"	181.070676	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1171701"	61.0284093333333	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"431696"	378.160623	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"798891"	558.224023	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1694490"	198.097223	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"342409"	189.5839495	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"731923"	279.6156495	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1489023"	99.5522495	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"402236"	383.116018	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"764323"	563.179418	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1614607"	203.052618	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"326830"	192.061647	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"717064"	282.093347	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1468703"	102.029947	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1058667"	68.3557233333333	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1262534"	213.096886	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"384392"	399.089958	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"746481"	579.153358	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1547439"	219.026558	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"310081"	200.048617	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"705783"	290.080317	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1459604"	110.016917	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"248941"	402.160626	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1222013"	222.097226	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1205532"	111.552251	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"200226"	405.09796	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"641973"	585.16136	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1145973"	225.03456	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"188164"	203.052618	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"623589"	293.084318	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1127098"	113.020918	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1406249"	75.6830373333333	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1439459"	227.076146	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"229154"	208.08564	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1520497"	241.12819	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"416901"	211.039588	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"781178"	301.071288	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1677147"	121.007888	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"259656"	424.142568	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1232362"	244.079168	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1717238"	244.102693	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1187693"	83.0103513333333	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1658679"	249.058088	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"161530"	437.04584	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"600729"	617.10924	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1090709"	256.98244	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"148617"	219.026558	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"585994"	309.058258	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1082417"	128.994858	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1113559"	258.996992	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1350802"	259.084607	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1018477"	263.123776	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1536602"	264.117408	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"994301"	132.065526	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1593176"	265.032028	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1429420"	295.063538	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1161166"	152.578801	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1711081"	312.090085	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1648795"	317.04548	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1580919"	333.01942	"C21050"	"L-Idose;L-Idopyranose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"803630"	179.0794	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M"	0
"977158"	160.06101	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"63942"	118.378990666667	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"507153"	178.072124	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"890428"	58.6858573333333	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"15205"	178.072124	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"455018"	267.611824	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"832091"	88.532424	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"91830"	357.151524	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"531763"	536.230924	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"908105"	178.072124	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"61751"	374.178071	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"501912"	553.257471	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"878012"	195.098671	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"45185"	379.133466	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"484016"	558.212866	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"856352"	200.054066	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1626978"	200.054066	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"98039"	196.060463	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"539787"	285.600163	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"937678"	106.520763	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"281338"	393.128202	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"674490"	572.207602	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1284340"	214.048802	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"29813"	395.107406	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"466456"	574.186806	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"847425"	216.028006	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1569940"	216.028006	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"957095"	224.077594	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"376409"	403.157001	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"360050"	417.172651	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1506935"	238.093251	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"970828"	246.059551	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"123016"	214.048802	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"560390"	303.588502	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1035023"	124.509102	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1254238"	257.998285	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1315592"	260.054272	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1333096"	282.036229	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"925244"	292.064986	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1301954"	328.041664	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1372459"	144.066724	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1385580"	162.0767	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"286361"	359.166076	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"690698"	538.245476	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1359509"	180.086676	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"139694"	180.086676	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"580349"	269.626376	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1048414"	90.546976	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"211940"	120.393542666667	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"649313"	180.086676	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1170718"	60.7004093333333	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"431806"	376.192623	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"792801"	555.272023	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1689131"	197.113223	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"341426"	188.5999495	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"736043"	278.1396495	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1492584"	99.0602495	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"407693"	381.148018	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"767714"	560.227418	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1616904"	202.068618	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"325847"	191.077647	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"720460"	280.617347	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1468814"	101.537947	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1060967"	68.0277233333333	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1261554"	212.112886	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"383409"	397.121958	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"744405"	576.201358	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1547553"	218.042558	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"309101"	199.064617	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"701524"	288.604317	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1457533"	109.524917	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"249779"	400.192626	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1223222"	221.113226	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1208562"	111.060251	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"203378"	403.12996	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"642699"	582.20936	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1147026"	224.05056	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"188534"	202.068618	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"623703"	291.608318	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1130007"	112.528918	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1412920"	75.3550373333333	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1443582"	226.092146	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"233641"	207.10164	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1522070"	240.14419	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"422115"	210.055588	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"784571"	299.595288	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1679445"	120.515888	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"261953"	422.174568	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1239763"	243.095168	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1718077"	243.118693	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1188897"	82.6823513333333	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1658789"	248.074088	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"167834"	435.07784	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"602296"	614.15724	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1094099"	255.99844	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"146904"	218.042558	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"586104"	307.582258	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1081554"	128.502858	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1112575"	258.012992	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1350546"	258.100607	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1018466"	262.139776	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1537684"	263.133408	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"993318"	131.573526	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1591100"	264.048028	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1414697"	294.079538	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1149235"	152.086801	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1711556"	311.106085	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1649593"	316.06148	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1581029"	332.03542	"C21051"	"L-Idosamine;2-Amino-2-deoxy-L-idopyranose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"804834"	221.0899	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M"	0
"976903"	202.07151	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"65875"	146.385990666667	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"503984"	220.082624	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"890538"	72.6893573333333	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"8016"	220.082624	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"454145"	330.627574	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"829406"	109.537674	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"92304"	441.172524	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"531142"	662.262424	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"907850"	220.082624	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"60397"	458.199071	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"500806"	679.288971	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"875568"	237.109171	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"43106"	463.154466	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"483032"	684.244366	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"849902"	242.064566	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1623807"	242.064566	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"98149"	238.070963	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"539896"	348.615913	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"931226"	127.526013	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"271970"	477.149202	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"665485"	698.239102	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1282262"	256.059302	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"22632"	479.128406	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"463285"	700.218306	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"842183"	258.038506	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1568225"	258.038506	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"953555"	266.088094	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"371769"	487.178001	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"356747"	501.193651	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1504489"	280.103751	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"970937"	288.070051	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"119844"	256.059302	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"556124"	366.604252	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1028204"	145.514352	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1253253"	300.008785	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1312420"	302.064772	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1330649"	324.046729	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"925354"	334.075486	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1300971"	370.052164	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1372570"	186.077224	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1386783"	204.0872	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"284769"	443.187076	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"691015"	664.276976	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1362535"	222.097176	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"137618"	222.097176	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"578633"	332.642126	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1050711"	111.552226	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"212050"	148.400542666667	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"651610"	222.097176	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1167548"	74.7039093333333	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"429729"	460.213623	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"790722"	681.303523	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1690334"	239.123723	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"338612"	230.6104495	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"728846"	341.1553995	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1489239"	120.0654995	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"403543"	465.169018	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"767821"	686.258918	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1618114"	244.079118	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"329487"	233.088147	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"721905"	343.633097	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1474390"	122.543197	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1059983"	82.0312233333333	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1262756"	254.123386	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"383519"	481.142958	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"743422"	702.232858	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1548756"	260.053058	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"308118"	241.075117	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"701635"	351.620067	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1455455"	130.530167	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"248797"	484.213626	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1223697"	263.123726	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1208067"	132.065501	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"202760"	487.15096	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"643863"	708.24086	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1146193"	266.06106	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"188269"	244.079118	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"624544"	354.624068	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1130482"	133.534168	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1408659"	89.3585373333333	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1444783"	268.102646	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"233750"	249.11214	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1523270"	282.15469	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"422955"	252.066088	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"784680"	362.611038	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1680650"	141.521138	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"262064"	506.195568	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1236594"	285.105668	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1722561"	285.129193	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1192287"	96.6858513333333	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1662179"	290.084588	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"163937"	519.09884	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"602043"	740.18874	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1094209"	298.00894	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"148837"	260.053058	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"586214"	370.598008	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1082152"	149.508108	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1112685"	300.023492	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1350536"	300.111107	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1018698"	304.150276	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1532447"	305.143908	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"992334"	152.578776	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1593396"	306.058528	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1417966"	336.090038	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1149344"	173.092051	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1712030"	353.116585	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1649746"	358.07198	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1581139"	374.04592	"C21052"	"N-Acetyl-L-idosamine;2-Acetamido-2-deoxy-L-idopyranose"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"802757"	309.106	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M"	0
"974947"	290.08761	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-H2O-H"	-19.01839
"64526"	205.063390666667	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M-3H"	-3.021828
"503728"	308.098724	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M-3H"	-3.021828
"890648"	102.028057333333	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-3H"	-3.021828
"7033"	308.098724	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M-2H"	-2.014552
"454498"	462.651724	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M-2H"	-2.014552
"832057"	153.545724	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-2H"	-2.014552
"91684"	617.204724	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M-H"	-1.007276
"532222"	926.310724	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M-H"	-1.007276
"909175"	308.098724	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-H"	-1.007276
"61235"	634.231271	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M-2H+NH4"	16.019271
"501766"	943.337271	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M-2H+NH4"	16.019271
"875678"	325.125271	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-2H+NH4"	16.019271
"44673"	639.186666	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M-2H+Na"	20.974666
"483141"	948.292666	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M-2H+Na"	20.974666
"855479"	330.080666	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-2H+Na"	20.974666
"1623917"	330.080666	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Na-2H"	20.974666
"98259"	326.087063	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M-H+Cl"	33.962126
"538912"	480.640063	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M-H+Cl"	33.962126
"930241"	171.534063	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-H+Cl"	33.962126
"267943"	653.181402	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+Cl"	34.969402
"665595"	962.287402	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+Cl"	34.969402
"1282372"	344.075402	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Cl"	34.969402
"22742"	655.160606	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M-2H+K"	36.948606
"460115"	964.266606	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M-2H+K"	36.948606
"844479"	346.054606	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-2H+K"	36.948606
"1569063"	346.054606	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+K-2H"	36.948606
"955851"	354.104194	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-H+HCOOH"	44.998194
"372972"	663.210201	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+HCOOH-H"	44.998201
"359043"	677.225851	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+Hac-H"	59.013851
"1503505"	368.119851	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Hac-H"	59.013851
"969954"	376.086151	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-H+NaCOOH"	66.980151
"122140"	344.075402	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+2Cl"	69.938804
"551736"	498.628402	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+2Cl"	69.938804
"1027220"	189.522402	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2Cl"	69.938804
"1253365"	388.024885	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Br"	78.918885
"1312530"	390.080872	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Cl+HCOOH"	80.974872
"1331488"	412.062829	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Cl+NaCOOH"	102.956829
"924006"	422.091586	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M-H+CF3COOH"	112.985586
"1302174"	458.068264	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Cl+CF3COOH"	148.962264
"1375960"	274.093324	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H-2H2O"	-35.012676
"1386166"	292.1033	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H-H2O"	-17.0027
"286581"	619.219276	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+H"	1.007276
"689213"	928.325276	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+H"	1.007276
"1359728"	310.113276	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H"	1.007276
"128607"	310.113276	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+2H"	2.014552
"575095"	464.666276	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+2H"	2.014552
"1038302"	155.560276	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2H"	2.014552
"213253"	207.077942666667	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+3H"	3.021828
"652813"	310.113276	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+3H"	3.021828
"1166565"	104.042609333333	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+3H"	3.021828
"432026"	636.245823	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+NH4"	18.033823
"793019"	945.351823	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+NH4"	18.033823
"1690444"	327.139823	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+NH4"	18.033823
"337628"	318.6265495	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+H+NH4"	19.041099
"733329"	473.1795495	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+H+NH4"	19.041099
"1488256"	164.0735495	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H+NH4"	19.041099
"403653"	641.201218	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+Na"	22.989218
"769886"	950.307218	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+Na"	22.989218
"1618104"	332.095218	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Na"	22.989218
"329234"	321.104247	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+H+Na"	23.996494
"721897"	475.657247	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+H+Na"	23.996494
"1472315"	166.551247	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H+Na"	23.996494
"1061189"	111.369923333333	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2H+Na"	25.00377
"1261046"	342.139486	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+CH3OH+H"	33.033486
"384727"	657.175158	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+K"	38.963158
"745721"	966.281158	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+K"	38.963158
"1553973"	348.069158	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+K"	38.963158
"309323"	329.091217	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+H+K"	39.970434
"703932"	483.644217	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+H+K"	39.970434
"1458118"	174.538217	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H+K"	39.970434
"249274"	660.245826	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+ACN+H"	42.033826
"1224168"	351.139826	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+ACN+H"	42.033826
"1208416"	176.073551	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+ACN+2H"	43.041102
"203722"	663.18316	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+2Na-H"	44.97116
"643400"	972.28916	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+2Na-H"	44.97116
"1146180"	354.07716	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2Na-H"	44.97116
"188224"	332.095218	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+2Na"	45.978436
"627086"	486.648218	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+2Na"	45.978436
"1131269"	177.542218	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2Na"	45.978436
"1412049"	118.697237333333	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H+2Na"	46.985712
"1445465"	356.118746	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H+HCOOH"	47.012746
"235445"	337.12824	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+3H2O+2H"	56.04448
"1524073"	370.17079	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+IsoProp+H"	61.06479
"424208"	340.082188	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+Na+K"	61.952376
"785157"	494.635188	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+Na+K"	61.952376
"1681159"	185.529188	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Na+K"	61.952376
"266427"	682.227768	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+ACN+Na"	64.015768
"1238163"	373.121768	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+ACN+Na"	64.015768
"1726683"	373.145293	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+NH4+HCOOH"	64.039293
"1188391"	126.024551333333	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+3Na"	68.967654
"1657918"	378.100688	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Na+HCOOH"	68.994688
"161863"	695.13104	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+2K-H"	76.91904
"603247"	1004.23704	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+2K-H"	76.91904
"1094319"	386.02504	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2K-H"	76.91904
"148947"	348.069158	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"2M+2K"	77.926316
"586324"	502.622158	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"3M+2K"	77.926316
"1082625"	193.516158	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2K"	77.926316
"1112795"	388.039592	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2K+H"	78.933592
"1349915"	388.127207	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+DMSO+H"	79.021207
"1020634"	392.166376	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2ACN+H"	83.060376
"1532557"	393.160008	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+IsoProp+Na+H"	84.054008
"993537"	196.586826	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+2ACN+2H"	84.067652
"1591320"	394.074628	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+K+HCOOH"	84.968628
"1418076"	424.106138	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+H+CF3COOH"	115.000138
"1148361"	217.100101	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+3ACN+2H"	125.094202
"1712667"	441.132685	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+NH4+CF3COOH"	132.026685
"1649572"	446.08808	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+Na+CF3COOH"	136.98208
"1581249"	462.06202	"C21053"	"N-Glycolylmuramic acid;2-Glycolylamido-3-O-(R)-1-carboxyethyl-2-deoxy-D-glucopyranose"	"C11H19NO9"	"309.106"	"M+K+CF3COOH"	152.95602
"813806"	148.0736	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M"	0
"985150"	129.05521	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"69017"	97.7084573333333	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"515874"	147.066324	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"895136"	48.3505906666667	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"15531"	147.066324	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"455420"	221.103124	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"832420"	73.029524	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"93260"	295.139924	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"529532"	443.213524	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"908799"	147.066324	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"60985"	312.166471	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"500910"	460.240071	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"876884"	164.092871	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"45519"	317.121866	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"482160"	465.195466	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"858869"	169.048266	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1624030"	169.048266	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"103838"	165.054663	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"541214"	239.091463	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"929260"	91.017863	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"270002"	331.116602	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"662425"	479.190202	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1279203"	183.043002	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"19573"	333.095806	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"467882"	481.169406	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"846779"	185.022206	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1569175"	185.022206	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"956691"	193.071794	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"376733"	341.145401	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"359887"	355.161051	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1505806"	207.087451	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"968969"	215.053751	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"120062"	183.043002	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"557801"	257.079802	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1026600"	109.006202	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1246548"	226.992485	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1309361"	229.048472	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1330141"	251.030429	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"924849"	261.059186	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1299005"	297.035864	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1379719"	113.060924	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1396486"	131.0709	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"289974"	297.154476	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"688961"	445.228076	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1365310"	149.080876	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"140630"	149.080876	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"580923"	223.117676	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1050570"	75.044076	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"219971"	99.7230093333333	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"659490"	149.080876	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1176522"	50.3651426666667	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"437244"	314.181023	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"796415"	462.254623	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1694571"	166.107423	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"338838"	157.5941495	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"732355"	231.6309495	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1488366"	83.5573495	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"407053"	319.136418	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"768046"	467.210018	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1613959"	171.062818	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"329097"	160.071847	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"720787"	234.108647	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1466959"	86.035047	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1060205"	57.6924566666667	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1265166"	181.107086	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"383741"	335.110358	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"753484"	483.183958	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1554446"	187.036758	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"313447"	168.058817	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"704042"	242.095617	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1459686"	94.022017	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"250600"	338.181026	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1224041"	190.107426	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1209804"	95.557351	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"204216"	341.11836	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"644002"	489.19196	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1146986"	193.04476	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"188355"	171.062818	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"628176"	245.099618	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1126449"	97.026018	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1412890"	65.0197706666667	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1442088"	195.086346	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"232510"	176.09584	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1522031"	209.13839	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"418438"	179.049788	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"783806"	253.086588	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1679896"	105.012988	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"263377"	360.162968	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1240705"	212.089368	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1726672"	212.112893	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1191782"	72.3470846666667	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1656938"	217.068288	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"162704"	373.06624	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"606638"	521.13984	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1097712"	224.99264	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"152341"	187.036758	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"596767"	261.073558	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1082977"	112.999958	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1112555"	227.007192	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1349547"	227.094807	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1020014"	231.133976	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1538139"	232.127608	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"1001306"	116.070626	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1602254"	233.042228	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1428761"	263.073738	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1162335"	136.583901	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1712373"	280.100285	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1649802"	285.05568	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1581359"	301.02962	"C21054"	"Olivose;26-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"802248"	148.0736	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M"	0
"975776"	129.05521	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"69127"	97.7084573333333	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"504312"	147.066324	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"895251"	48.3505906666667	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"15490"	147.066324	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"455677"	221.103124	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"830091"	73.029524	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"92636"	295.139924	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"530735"	443.213524	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"905256"	147.066324	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"61459"	312.166471	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"500292"	460.240071	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"873713"	164.092871	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"42712"	317.121866	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"481177"	465.195466	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"857886"	169.048266	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1621953"	169.048266	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"100668"	165.054663	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"541324"	239.091463	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"929370"	91.017863	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"269019"	331.116602	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"662535"	479.190202	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1279313"	183.043002	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"19683"	333.095806	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"467992"	481.169406	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"846889"	185.022206	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1570378"	185.022206	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"957165"	193.071794	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"376113"	341.145401	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"359269"	355.161051	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1505185"	207.087451	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"970172"	215.053751	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"116892"	183.043002	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"552443"	257.079802	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1026346"	109.006202	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1248116"	226.992485	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1313842"	229.048472	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1328064"	251.030429	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"924961"	261.059186	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1298022"	297.035864	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1378734"	113.060924	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1396231"	131.0709	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"290084"	297.154476	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"687976"	445.228076	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1362867"	149.080876	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"140130"	149.080876	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"580670"	223.117676	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1049951"	75.044076	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"218830"	99.7230093333333	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"657778"	149.080876	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1175540"	50.3651426666667	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"436625"	314.181023	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"796525"	462.254623	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1692858"	166.107423	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"341134"	157.5941495	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"734287"	231.6309495	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1488476"	83.5573495	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"408217"	319.136418	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"769536"	467.210018	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1615163"	171.062818	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"329575"	160.071847	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"722700"	234.108647	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1468161"	86.035047	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1061409"	57.6924566666667	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1268556"	181.107086	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"392235"	335.110358	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"754047"	483.183958	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1555478"	187.036758	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"314129"	168.058817	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"705246"	242.095617	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1460162"	94.022017	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"251160"	338.181026	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1225085"	190.107426	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1209574"	95.557351	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"204177"	341.11836	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"643991"	489.19196	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1146033"	193.04476	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"188476"	171.062818	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"628085"	245.099618	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1130691"	97.026018	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1413487"	65.0197706666667	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1445034"	195.086346	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"235418"	176.09584	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1522872"	209.13839	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"421829"	179.049788	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"784890"	253.086588	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1678061"	105.012988	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"264580"	360.162968	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1240813"	212.089368	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1725444"	212.112893	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1191163"	72.3470846666667	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1657048"	217.068288	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"163907"	373.06624	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"606748"	521.13984	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1097822"	224.99264	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"152451"	187.036758	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"596838"	261.073558	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1083696"	112.999958	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1114487"	227.007192	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1350506"	227.094807	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1020124"	231.133976	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1537156"	232.127608	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"1001416"	116.070626	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1601270"	233.042228	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1428142"	263.073738	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1162451"	136.583901	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1712487"	280.100285	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1649101"	285.05568	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1581469"	301.02962	"C21055"	"Paratose;36-Dideoxy-D-ribo-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"805274"	205.095	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M"	0
"974952"	186.07661	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-H2O-H"	-19.01839
"68144"	135.722724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M-3H"	-3.021828
"505516"	204.087724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M-3H"	-3.021828
"892073"	67.357724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-3H"	-3.021828
"14663"	204.087724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M-2H"	-2.014552
"453127"	306.635224	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M-2H"	-2.014552
"826919"	101.540224	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-2H"	-2.014552
"92017"	409.182724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M-H"	-1.007276
"528295"	614.277724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M-H"	-1.007276
"902087"	204.087724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-H"	-1.007276
"59746"	426.209271	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M-2H+NH4"	16.019271
"500766"	631.304271	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M-2H+NH4"	16.019271
"870544"	221.114271	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-2H+NH4"	16.019271
"41364"	431.164666	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M-2H+Na"	20.974666
"480194"	636.259666	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M-2H+Na"	20.974666
"854716"	226.069666	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-2H+Na"	20.974666
"1620970"	226.069666	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Na-2H"	20.974666
"100778"	222.076063	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M-H+Cl"	33.962126
"538154"	324.623563	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M-H+Cl"	33.962126
"928387"	119.528563	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-H+Cl"	33.962126
"270222"	445.159402	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+Cl"	34.969402
"663738"	650.254402	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+Cl"	34.969402
"1276142"	240.064402	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Cl"	34.969402
"19793"	447.138606	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M-2H+K"	36.948606
"465914"	652.233606	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M-2H+K"	36.948606
"841534"	242.043606	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-2H+K"	36.948606
"1567209"	242.043606	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+K-2H"	36.948606
"951810"	250.093194	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-H+HCOOH"	44.998194
"373308"	455.188201	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+HCOOH-H"	44.998201
"352816"	469.203851	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+Hac-H"	59.013851
"1502380"	264.108851	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Hac-H"	59.013851
"969189"	272.075151	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-H+NaCOOH"	66.980151
"117002"	240.064402	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+2Cl"	69.938804
"552188"	342.611902	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+2Cl"	69.938804
"1023176"	137.516902	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2Cl"	69.938804
"1249319"	284.013885	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Br"	78.918885
"1310672"	286.069872	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Cl+HCOOH"	80.974872
"1329267"	308.051829	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Cl+NaCOOH"	102.956829
"924342"	318.080586	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M-H+CF3COOH"	112.985586
"1300318"	354.057264	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Cl+CF3COOH"	148.962264
"1376292"	170.082324	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H-2H2O"	-35.012676
"1394518"	188.0923	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H-H2O"	-17.0027
"290194"	411.197276	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+H"	1.007276
"683347"	616.292276	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+H"	1.007276
"1356779"	206.102276	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H"	1.007276
"131855"	206.102276	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+2H"	2.014552
"569229"	308.649776	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+2H"	2.014552
"1049697"	103.554776	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2H"	2.014552
"219549"	137.737276	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+3H"	3.021828
"658252"	206.102276	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+3H"	3.021828
"1175650"	69.372276	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+3H"	3.021828
"435640"	428.223823	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+NH4"	18.033823
"794447"	633.318823	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+NH4"	18.033823
"1689683"	223.128823	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+NH4"	18.033823
"341244"	214.6155495	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+H+NH4"	19.041099
"733668"	317.1630495	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+H+NH4"	19.041099
"1488586"	112.0680495	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H+NH4"	19.041099
"406545"	433.179218	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+Na"	22.989218
"767906"	638.274218	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+Na"	22.989218
"1616368"	228.084218	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Na"	22.989218
"329562"	217.093247	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+H+Na"	23.996494
"722353"	319.640747	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+H+Na"	23.996494
"1464992"	114.545747	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H+Na"	23.996494
"1061519"	76.69959	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2H+Na"	25.00377
"1269397"	238.128486	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+CH3OH+H"	33.033486
"391616"	449.153158	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+K"	38.963158
"751516"	654.248158	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+K"	38.963158
"1555394"	244.058158	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+K"	38.963158
"314112"	225.080217	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+H+K"	39.970434
"706940"	327.627717	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+H+K"	39.970434
"1460272"	122.532717	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H+K"	39.970434
"251145"	452.223826	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+ACN+H"	42.033826
"1225533"	247.128826	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+ACN+H"	42.033826
"1209809"	124.068051	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+ACN+2H"	43.041102
"204100"	455.16116	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+2Na-H"	44.97116
"644146"	660.25616	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+2Na-H"	44.97116
"1145413"	250.06616	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2Na-H"	44.97116
"188265"	228.084218	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+2Na"	45.978436
"628399"	330.631718	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+2Na"	45.978436
"1129827"	125.536718	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2Na"	45.978436
"1413967"	84.026904	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H+2Na"	46.985712
"1444862"	252.107746	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H+HCOOH"	47.012746
"234432"	233.11724	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+3H2O+2H"	56.04448
"1521160"	266.15979	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+IsoProp+H"	61.06479
"419753"	236.071188	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+Na+K"	61.952376
"784879"	338.618688	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+Na+K"	61.952376
"1674891"	133.523688	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Na+K"	61.952376
"262504"	474.205768	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+ACN+Na"	64.015768
"1237398"	269.110768	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+ACN+Na"	64.015768
"1723002"	269.134293	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+NH4+HCOOH"	64.039293
"1190544"	91.354218	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+3Na"	68.967654
"1656065"	274.089688	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Na+HCOOH"	68.994688
"162924"	487.10904	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+2K-H"	76.91904
"605765"	692.20404	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+2K-H"	76.91904
"1097932"	282.01404	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2K-H"	76.91904
"152561"	244.058158	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"2M+2K"	77.926316
"595893"	346.605658	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"3M+2K"	77.926316
"1081012"	141.510658	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2K"	77.926316
"1112045"	284.028592	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2K+H"	78.933592
"1349520"	284.116207	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+DMSO+H"	79.021207
"1018048"	288.155376	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2ACN+H"	83.060376
"1537266"	289.149008	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+IsoProp+Na+H"	84.054008
"1001526"	144.581326	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+2ACN+2H"	84.067652
"1602229"	290.063628	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+K+HCOOH"	84.968628
"1428252"	320.095138	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+H+CF3COOH"	115.000138
"1162600"	165.094601	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+3ACN+2H"	125.094202
"1712593"	337.121685	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+NH4+CF3COOH"	132.026685
"1648118"	342.07708	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+Na+CF3COOH"	136.98208
"1581579"	358.05102	"C21056"	"N-Acetyl-L-rhamnosamine;2-Acetamido-26-dideoxy-L-mannopyranose"	"C8H15NO5"	"205.095"	"M+K+CF3COOH"	152.95602
"804289"	150.0528	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M"	0
"975144"	131.03441	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"69347"	99.027924	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"507812"	149.045524	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"894011"	49.010324	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"14046"	149.045524	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"452505"	224.071924	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"828851"	74.019124	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"92128"	299.098324	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"527676"	449.151124	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"903290"	149.045524	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"61196"	316.124871	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"501482"	466.177671	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"870654"	166.072071	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"44754"	321.080266	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"482491"	471.133066	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"861022"	171.027466	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1631652"	171.027466	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"107448"	167.033863	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"541544"	242.060263	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"931777"	92.007463	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"272520"	335.075002	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"663848"	485.127802	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1282813"	185.022202	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"19903"	337.054206	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"465662"	487.107006	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"841643"	187.001406	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1569872"	187.001406	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"951922"	195.050994	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"372325"	345.103801	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"354019"	359.119451	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1501761"	209.066651	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"967112"	217.032951	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"119301"	185.022202	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"557767"	260.048602	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1023649"	109.995802	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1243591"	228.971685	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1308594"	231.027672	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1322446"	253.009629	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"923718"	263.038386	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1297144"	299.015064	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1378589"	115.040124	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1394991"	133.0501	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"293583"	301.112876	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"687101"	451.165676	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1352148"	151.060076	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"128685"	151.060076	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"569339"	226.086476	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1050899"	76.033676	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"219341"	101.042476	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"658973"	151.060076	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1178075"	51.024876	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"437574"	318.139423	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"800026"	468.192223	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1689793"	168.086623	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"341354"	159.5733495	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"731592"	234.5997495	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1488696"	84.5469495	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"406900"	323.094818	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"767287"	473.147618	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1615384"	173.042018	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"328580"	162.051047	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"721614"	237.077447	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1464012"	87.024647	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1058351"	58.35219	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1269144"	183.086286	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"389541"	339.068758	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"752846"	489.121558	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1554414"	189.015958	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"313410"	170.038017	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"705956"	245.064417	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1460506"	95.011617	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"249595"	342.139426	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1225101"	192.086626	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1207399"	96.546951	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"204045"	345.07676	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"643971"	495.12956	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1146750"	195.02396	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"188434"	173.042018	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"627656"	248.068418	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1130795"	98.015618	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1412983"	65.679504	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1444730"	197.065546	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"234789"	178.07504	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1523345"	211.11759	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"423926"	181.028988	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"785243"	256.055388	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1680474"	106.002588	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"265775"	364.121368	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1239577"	214.068568	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1727489"	214.092093	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1192846"	73.006818	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1662379"	219.047488	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"172635"	377.02464	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"606969"	527.07744	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1098042"	226.97184	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"152671"	189.015958	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"593327"	264.042358	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1082214"	113.989558	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1115072"	228.986392	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1348903"	229.074007	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1018159"	233.113176	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1537377"	234.106808	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"1002729"	117.060226	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1601248"	235.021428	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1428970"	265.052938	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1156462"	137.573501	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1711975"	282.079485	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1648228"	287.03488	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1581689"	303.00882	"C21057"	"D-Ribose;D-Ribopyranose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"803671"	164.0685	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M"	0
"975377"	145.05011	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-H2O-H"	-19.01839
"64350"	108.371724	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M-3H"	-3.021828
"503421"	163.061224	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M-3H"	-3.021828
"892298"	53.682224	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-3H"	-3.021828
"13789"	163.061224	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M-2H"	-2.014552
"451522"	245.095474	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M-2H"	-2.014552
"829325"	81.026974	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-2H"	-2.014552
"89316"	327.129724	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M-H"	-1.007276
"527781"	491.198224	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M-H"	-1.007276
"904493"	163.061224	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-H"	-1.007276
"61425"	344.156271	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M-2H+NH4"	16.019271
"501349"	508.224771	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M-2H+NH4"	16.019271
"871857"	180.087771	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-2H+NH4"	16.019271
"43041"	349.111666	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M-2H+Na"	20.974666
"483693"	513.180166	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M-2H+Na"	20.974666
"861496"	185.043166	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-2H+Na"	20.974666
"1632004"	185.043166	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Na-2H"	20.974666
"104278"	181.049563	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M-H+Cl"	33.962126
"541654"	263.083813	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M-H+Cl"	33.962126
"931887"	99.015313	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-H+Cl"	33.962126
"272630"	363.106402	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+Cl"	34.969402
"663958"	527.174902	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+Cl"	34.969402
"1276362"	199.037902	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Cl"	34.969402
"20012"	365.085606	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M-2H+K"	36.948606
"463947"	529.154106	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M-2H+K"	36.948606
"845397"	201.017106	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-2H+K"	36.948606
"1568517"	201.017106	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+K-2H"	36.948606
"953119"	209.066694	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-H+HCOOH"	44.998194
"369147"	373.135201	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+HCOOH-H"	44.998201
"356316"	387.150851	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+Hac-H"	59.013851
"1504419"	223.082351	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Hac-H"	59.013851
"963210"	231.048651	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-H+NaCOOH"	66.980151
"117221"	199.037902	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+2Cl"	69.938804
"557874"	281.072152	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+2Cl"	69.938804
"1023389"	117.003652	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2Cl"	69.938804
"1243701"	242.987385	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Br"	78.918885
"1308705"	245.043372	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Cl+HCOOH"	80.974872
"1322192"	267.025329	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Cl+NaCOOH"	102.956829
"923828"	277.054086	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M-H+CF3COOH"	112.985586
"1295068"	313.030764	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Cl+CF3COOH"	148.962264
"1378699"	129.055824	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H-2H2O"	-35.012676
"1395101"	147.0658	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H-H2O"	-17.0027
"290413"	329.144276	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+H"	1.007276
"683931"	493.212776	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+H"	1.007276
"1352987"	165.075776	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H"	1.007276
"128795"	165.075776	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+2H"	2.014552
"567988"	247.110026	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+2H"	2.014552
"1046997"	83.041526	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2H"	2.014552
"219920"	110.386276	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+3H"	3.021828
"657013"	165.075776	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+3H"	3.021828
"1176963"	55.696776	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+3H"	3.021828
"435858"	346.170823	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+NH4"	18.033823
"797947"	510.239323	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+NH4"	18.033823
"1689903"	182.102323	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+NH4"	18.033823
"343651"	173.5890495	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+H+NH4"	19.041099
"734982"	255.6232995	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+H+NH4"	19.041099
"1488806"	91.5547995	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H+NH4"	19.041099
"408344"	351.126218	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+Na"	22.989218
"768488"	515.194718	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+Na"	22.989218
"1617680"	187.057718	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Na"	22.989218
"329176"	176.066747	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+H+Na"	23.996494
"722451"	258.100997	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+H+Na"	23.996494
"1469589"	94.032497	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H+Na"	23.996494
"1060648"	63.02409	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2H+Na"	25.00377
"1268527"	197.101986	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+CH3OH+H"	33.033486
"388193"	367.100158	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+K"	38.963158
"751376"	531.168658	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+K"	38.963158
"1553426"	203.031658	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+K"	38.963158
"312791"	184.053717	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+H+K"	39.970434
"697925"	266.087967	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+H+K"	39.970434
"1458672"	102.019467	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H+K"	39.970434
"249101"	370.170826	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+H"	42.033826
"1224118"	206.102326	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+ACN+H"	42.033826
"1207998"	103.554801	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+ACN+2H"	43.041102
"203426"	373.10816	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+2Na-H"	44.97116
"643229"	537.17666	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+2Na-H"	44.97116
"1146122"	209.03966	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2Na-H"	44.97116
"188326"	187.057718	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+2Na"	45.978436
"624835"	269.091968	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+2Na"	45.978436
"1129813"	105.023468	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2Na"	45.978436
"1413581"	70.351404	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H+2Na"	46.985712
"1444967"	211.081246	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H+HCOOH"	47.012746
"235504"	192.09074	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+3H2O+2H"	56.04448
"1524054"	225.13329	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+H"	61.06479
"423995"	195.044688	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+Na+K"	61.952376
"785434"	277.078938	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+Na+K"	61.952376
"1680952"	113.010438	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Na+K"	61.952376
"266384"	392.152768	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+ACN+Na"	64.015768
"1240627"	228.084268	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+ACN+Na"	64.015768
"1727240"	228.107793	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+NH4+HCOOH"	64.039293
"1192956"	77.678718	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+3Na"	68.967654
"1663823"	233.063188	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Na+HCOOH"	68.994688
"171773"	405.05604	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+2K-H"	76.91904
"607079"	569.12454	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+2K-H"	76.91904
"1097059"	240.98754	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2K-H"	76.91904
"149501"	203.031658	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"2M+2K"	77.926316
"593437"	285.065908	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"3M+2K"	77.926316
"1081231"	120.997408	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2K"	77.926316
"1114451"	243.002092	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2K+H"	78.933592
"1348284"	243.089707	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+DMSO+H"	79.021207
"1018997"	247.128876	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+H"	83.060376
"1537122"	248.122508	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+IsoProp+Na+H"	84.054008
"999559"	124.068076	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+2ACN+2H"	84.067652
"1602329"	249.037128	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+K+HCOOH"	84.968628
"1429201"	279.068638	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+H+CF3COOH"	115.000138
"1155477"	144.581351	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+3ACN+2H"	125.094202
"1712678"	296.095185	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+NH4+CF3COOH"	132.026685
"1649431"	301.05058	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+Na+CF3COOH"	136.98208
"1581799"	317.02452	"C21058"	"6-Deoxy-D-talose;6-Deoxy-D-talopyranose"	"C6H12O5"	"164.0685"	"M+K+CF3COOH"	152.95602
"803417"	194.0427	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M"	0
"975488"	175.02431	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H2O-H"	-19.01839
"64091"	128.354524	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-3H"	-3.021828
"504018"	193.035424	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-3H"	-3.021828
"884742"	63.673624	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-3H"	-3.021828
"3317"	193.035424	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H"	-2.014552
"446157"	290.056774	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H"	-2.014552
"822866"	96.014074	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H"	-2.014552
"90156"	387.078124	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H"	-1.007276
"528985"	581.120824	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H"	-1.007276
"905696"	193.035424	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H"	-1.007276
"59350"	404.104671	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+NH4"	16.019271
"499638"	598.147371	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+NH4"	16.019271
"871967"	210.061971	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+NH4"	16.019271
"44244"	409.060066	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+Na"	20.974666
"483803"	603.102766	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+Na"	20.974666
"859420"	215.017366	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+Na"	20.974666
"1631506"	215.017366	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na-2H"	20.974666
"104388"	211.023763	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-H+Cl"	33.962126
"539578"	308.045113	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-H+Cl"	33.962126
"930903"	114.002413	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+Cl"	33.962126
"272740"	423.054802	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Cl"	34.969402
"664068"	617.097502	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Cl"	34.969402
"1277565"	229.012102	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl"	34.969402
"19028"	425.034006	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M-2H+K"	36.948606
"460777"	619.076706	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M-2H+K"	36.948606
"846963"	230.991306	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-2H+K"	36.948606
"1568627"	230.991306	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K-2H"	36.948606
"953229"	239.040894	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+HCOOH"	44.998194
"369257"	433.083601	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+HCOOH-H"	44.998201
"358613"	447.099251	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Hac-H"	59.013851
"1505256"	253.056551	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Hac-H"	59.013851
"963320"	261.022851	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+NaCOOH"	66.980151
"117331"	229.012102	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Cl"	69.938804
"556161"	326.033452	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Cl"	69.938804
"1023135"	131.990752	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Cl"	69.938804
"1246362"	272.961585	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Br"	78.918885
"1308815"	275.017572	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+HCOOH"	80.974872
"1322302"	296.999529	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+NaCOOH"	102.956829
"923938"	307.028286	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M-H+CF3COOH"	112.985586
"1296271"	343.004964	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Cl+CF3COOH"	148.962264
"1378809"	159.030024	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-2H2O"	-35.012676
"1395211"	177.04	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H-H2O"	-17.0027
"290523"	389.092676	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H"	1.007276
"681854"	583.135376	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H"	1.007276
"1353097"	195.049976	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H"	1.007276
"126344"	195.049976	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2H"	2.014552
"569916"	292.071326	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2H"	2.014552
"1040544"	98.028626	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H"	2.014552
"206259"	130.369076	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H"	3.021828
"648006"	195.049976	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+3H"	3.021828
"1168320"	65.688176	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3H"	3.021828
"430496"	406.119223	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+NH4"	18.033823
"792583"	600.161923	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+NH4"	18.033823
"1690007"	212.076523	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4"	18.033823
"335008"	203.5632495	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+NH4"	19.041099
"728524"	300.5845995	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+NH4"	19.041099
"1484537"	106.5418995	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+NH4"	19.041099
"407965"	411.074618	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na"	22.989218
"769326"	605.117318	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na"	22.989218
"1615603"	217.031918	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na"	22.989218
"329526"	206.040947	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+Na"	23.996494
"722744"	303.062297	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+Na"	23.996494
"1467514"	109.019597	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+Na"	23.996494
"1061852"	73.01549	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2H+Na"	25.00377
"1269366"	227.076186	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+CH3OH+H"	33.033486
"390491"	427.048558	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+K"	38.963158
"752212"	621.091258	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+K"	38.963158
"1553536"	233.005858	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K"	38.963158
"312901"	214.027917	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+H+K"	39.970434
"698035"	311.049267	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+H+K"	39.970434
"1458416"	117.006567	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+K"	39.970434
"250671"	430.119226	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+H"	42.033826
"1225084"	236.076526	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+H"	42.033826
"1207256"	118.541901	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+2H"	43.041102
"204142"	433.05656	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na-H"	44.97116
"643580"	627.09926	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na-H"	44.97116
"1145744"	239.01386	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na-H"	44.97116
"188071"	217.031918	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2Na"	45.978436
"625675"	314.053268	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2Na"	45.978436
"1130161"	120.010568	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2Na"	45.978436
"1413772"	80.342804	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+2Na"	46.985712
"1444955"	241.055446	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+HCOOH"	47.012746
"235137"	222.06494	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+3H2O+2H"	56.04448
"1523695"	255.10749	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+H"	61.06479
"423501"	225.018888	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+Na+K"	61.952376
"785183"	322.040238	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+Na+K"	61.952376
"1679596"	127.997538	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+K"	61.952376
"266485"	452.101168	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+ACN+Na"	64.015768
"1239438"	258.058468	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+ACN+Na"	64.015768
"1726619"	258.081993	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+HCOOH"	64.039293
"1193066"	87.670118	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3Na"	68.967654
"1663689"	263.037388	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+HCOOH"	68.994688
"172004"	465.00444	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K-H"	76.91904
"606096"	659.04714	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K-H"	76.91904
"1098262"	270.96174	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K-H"	76.91904
"152891"	233.005858	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"2M+2K"	77.926316
"596464"	330.027208	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"3M+2K"	77.926316
"1078059"	135.984508	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K"	77.926316
"1113469"	272.976292	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2K+H"	78.933592
"1348394"	273.063907	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+DMSO+H"	79.021207
"1017285"	277.103076	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+H"	83.060376
"1537232"	278.096708	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+IsoProp+Na+H"	84.054008
"1001491"	139.055176	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+2ACN+2H"	84.067652
"1598548"	279.011328	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+HCOOH"	84.968628
"1427489"	309.042838	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+H+CF3COOH"	115.000138
"1155587"	159.568451	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+3ACN+2H"	125.094202
"1712192"	326.069385	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+NH4+CF3COOH"	132.026685
"1647354"	331.02478	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+Na+CF3COOH"	136.98208
"1581909"	346.99872	"C21059"	"D-Taluronic acid;D-Talopyranuronic acid"	"C6H10O7"	"194.0427"	"M+K+CF3COOH"	152.95602
"806807"	179.0794	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M"	0
"974911"	160.06101	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-H2O-H"	-19.01839
"62921"	118.378990666667	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M-3H"	-3.021828
"502851"	178.072124	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M-3H"	-3.021828
"884852"	58.6858573333333	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-3H"	-3.021828
"3427"	178.072124	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M-2H"	-2.014552
"444081"	267.611824	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M-2H"	-2.014552
"821883"	88.532424	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-2H"	-2.014552
"93181"	357.151524	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M-H"	-1.007276
"530188"	536.230924	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M-H"	-1.007276
"906898"	178.072124	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-H"	-1.007276
"59085"	374.178071	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+NH4"	16.019271
"497551"	553.257471	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+NH4"	16.019271
"873170"	195.098671	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-2H+NH4"	16.019271
"43261"	379.133466	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+Na"	20.974666
"485006"	558.212866	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+Na"	20.974666
"861352"	200.054066	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-2H+Na"	20.974666
"1630523"	200.054066	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Na-2H"	20.974666
"103405"	196.060463	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M-H+Cl"	33.962126
"539688"	285.600163	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M-H+Cl"	33.962126
"931013"	106.520763	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-H+Cl"	33.962126
"273943"	393.128202	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+Cl"	34.969402
"665271"	572.207602	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+Cl"	34.969402
"1278768"	214.048802	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Cl"	34.969402
"19502"	395.107406	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M-2H+K"	36.948606
"459063"	574.186806	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M-2H+K"	36.948606
"844157"	216.028006	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-2H+K"	36.948606
"1568373"	216.028006	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+K-2H"	36.948606
"953339"	224.077594	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-H+HCOOH"	44.998194
"371553"	403.157001	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+HCOOH-H"	44.998201
"357627"	417.172651	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+Hac-H"	59.013851
"1502085"	238.093251	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Hac-H"	59.013851
"961971"	246.059551	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-H+NaCOOH"	66.980151
"112337"	214.048802	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+2Cl"	69.938804
"557364"	303.588502	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+2Cl"	69.938804
"1022880"	124.509102	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2Cl"	69.938804
"1245379"	257.998285	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Br"	78.918885
"1310018"	260.054272	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+HCOOH"	80.974872
"1323142"	282.036229	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+NaCOOH"	102.956829
"922955"	292.064986	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M-H+CF3COOH"	112.985586
"1296381"	328.041664	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Cl+CF3COOH"	148.962264
"1378919"	144.066724	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H-2H2O"	-35.012676
"1395321"	162.0767	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H-H2O"	-17.0027
"290633"	359.166076	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+H"	1.007276
"683057"	538.245476	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+H"	1.007276
"1353207"	180.086676	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H"	1.007276
"126943"	180.086676	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+2H"	2.014552
"567597"	269.626376	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+2H"	2.014552
"1039561"	90.546976	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2H"	2.014552
"206732"	120.393542666667	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+3H"	3.021828
"650302"	180.086676	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+3H"	3.021828
"1166240"	60.7004093333333	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+3H"	3.021828
"428417"	376.192623	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+NH4"	18.033823
"788681"	555.272023	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+NH4"	18.033823
"1685741"	197.113223	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+NH4"	18.033823
"337302"	188.5999495	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+H+NH4"	19.041099
"728630"	278.1396495	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+H+NH4"	19.041099
"1485741"	99.0602495	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H+NH4"	19.041099
"405522"	381.148018	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+Na"	22.989218
"766885"	560.227418	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+Na"	22.989218
"1613523"	202.068618	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Na"	22.989218
"325745"	191.077647	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+H+Na"	23.996494
"719258"	280.617347	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+H+Na"	23.996494
"1465433"	101.537947	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H+Na"	23.996494
"1058681"	68.0277233333333	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2H+Na"	25.00377
"1267646"	212.112886	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+CH3OH+H"	33.033486
"389501"	397.121958	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+K"	38.963158
"749771"	576.201358	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+K"	38.963158
"1548542"	218.042558	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+K"	38.963158
"311183"	199.064617	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+H+K"	39.970434
"701425"	288.604317	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+H+K"	39.970434
"1458891"	109.524917	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H+K"	39.970434
"251179"	400.192626	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+H"	42.033826
"1223483"	221.113226	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+H"	42.033826
"1209760"	111.060251	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+2H"	43.041102
"203152"	403.12996	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na-H"	44.97116
"642712"	582.20936	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na-H"	44.97116
"1144395"	224.05056	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2Na-H"	44.97116
"188178"	202.068618	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+2Na"	45.978436
"623596"	291.608318	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+2Na"	45.978436
"1130998"	112.528918	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2Na"	45.978436
"1413676"	75.3550373333333	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H+2Na"	46.985712
"1444696"	226.092146	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H+HCOOH"	47.012746
"235492"	207.10164	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+3H2O+2H"	56.04448
"1523791"	240.14419	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+H"	61.06479
"420557"	210.055588	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+Na+K"	61.952376
"785568"	299.595288	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+Na+K"	61.952376
"1679342"	120.515888	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Na+K"	61.952376
"266593"	422.174568	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+ACN+Na"	64.015768
"1237842"	243.095168	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+ACN+Na"	64.015768
"1725633"	243.118693	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+HCOOH"	64.039293
"1192812"	82.6823513333333	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+3Na"	68.967654
"1663067"	248.074088	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Na+HCOOH"	68.994688
"169927"	435.07784	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+2K-H"	76.91904
"609486"	614.15724	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+2K-H"	76.91904
"1098372"	255.99844	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2K-H"	76.91904
"153001"	218.042558	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"2M+2K"	77.926316
"596534"	307.582258	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"3M+2K"	77.926316
"1081449"	128.502858	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2K"	77.926316
"1113213"	258.012992	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2K+H"	78.933592
"1348498"	258.100607	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+DMSO+H"	79.021207
"1016300"	262.139776	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+H"	83.060376
"1535520"	263.133408	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+IsoProp+Na+H"	84.054008
"1001965"	131.573526	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+2ACN+2H"	84.067652
"1597565"	264.048028	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+K+HCOOH"	84.968628
"1427599"	294.079538	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+H+CF3COOH"	115.000138
"1155697"	152.086801	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+3ACN+2H"	125.094202
"1712707"	311.106085	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+NH4+CF3COOH"	132.026685
"1648558"	316.06148	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+Na+CF3COOH"	136.98208
"1582019"	332.03542	"C21060"	"D-Talosamine;2-Amino-2-deoxy-D-talopyranose"	"C6H13NO5"	"179.0794"	"M+K+CF3COOH"	152.95602
"805824"	221.0899	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M"	0
"974980"	202.07151	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-H2O-H"	-19.01839
"64315"	146.385990666667	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M-3H"	-3.021828
"502995"	220.082624	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M-3H"	-3.021828
"883869"	72.6893573333333	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-3H"	-3.021828
"5724"	220.082624	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M-2H"	-2.014552
"443098"	330.627574	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M-2H"	-2.014552
"820900"	109.537674	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-2H"	-2.014552
"91107"	441.172524	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M-H"	-1.007276
"529205"	662.262424	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M-H"	-1.007276
"905913"	220.082624	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-H"	-1.007276
"60654"	458.199071	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+NH4"	16.019271
"496568"	679.288971	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+NH4"	16.019271
"873280"	237.109171	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-2H+NH4"	16.019271
"43737"	463.154466	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+Na"	20.974666
"484388"	684.244366	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+Na"	20.974666
"860733"	242.064566	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-2H+Na"	20.974666
"1628811"	242.064566	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Na-2H"	20.974666
"102422"	238.070963	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M-H+Cl"	33.962126
"541984"	348.615913	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M-H+Cl"	33.962126
"933310"	127.526013	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-H+Cl"	33.962126
"272960"	477.149202	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+Cl"	34.969402
"664652"	698.239102	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+Cl"	34.969402
"1278878"	256.059302	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Cl"	34.969402
"20341"	479.128406	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M-2H+K"	36.948606
"460267"	700.218306	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M-2H+K"	36.948606
"845360"	258.038506	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-2H+K"	36.948606
"1565567"	258.038506	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+K-2H"	36.948606
"951262"	266.088094	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-H+HCOOH"	44.998194
"371663"	487.178001	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+HCOOH-H"	44.998201
"356644"	501.193651	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+Hac-H"	59.013851
"1498915"	280.103751	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Hac-H"	59.013851
"962811"	288.070051	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-H+NaCOOH"	66.980151
"114999"	256.059302	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+2Cl"	69.938804
"555652"	366.604252	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+2Cl"	69.938804
"1022261"	145.514352	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2Cl"	69.938804
"1246583"	300.008785	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Br"	78.918885
"1307938"	302.064772	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+HCOOH"	80.974872
"1321792"	324.046729	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+NaCOOH"	102.956829
"924158"	334.075486	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M-H+CF3COOH"	112.985586
"1296491"	370.052164	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Cl+CF3COOH"	148.962264
"1379029"	186.077224	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H-2H2O"	-35.012676
"1394338"	204.0872	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H-H2O"	-17.0027
"290743"	443.187076	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+H"	1.007276
"685354"	664.276976	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+H"	1.007276
"1352954"	222.097176	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H"	1.007276
"126205"	222.097176	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+2H"	2.014552
"568314"	332.642126	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+2H"	2.014552
"1041857"	111.552226	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2H"	2.014552
"206475"	148.400542666667	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+3H"	3.021828
"649319"	222.097176	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+3H"	3.021828
"1165257"	74.7039093333333	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+3H"	3.021828
"429621"	460.213623	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+NH4"	18.033823
"789521"	681.303523	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+NH4"	18.033823
"1683665"	239.123723	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+NH4"	18.033823
"334130"	230.6104495	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+H+NH4"	19.041099
"727648"	341.1553995	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+H+NH4"	19.041099
"1489130"	120.0654995	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H+NH4"	19.041099
"405632"	465.169018	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+Na"	22.989218
"767719"	686.258918	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+Na"	22.989218
"1617645"	244.079118	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Na"	22.989218
"328529"	233.088147	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+H+Na"	23.996494
"721314"	343.633097	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+H+Na"	23.996494
"1471012"	122.543197	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H+Na"	23.996494
"1059883"	82.0312233333333	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2H+Na"	25.00377
"1268849"	254.123386	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+CH3OH+H"	33.033486
"391798"	481.142958	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+K"	38.963158
"751702"	702.232858	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+K"	38.963158
"1551932"	260.053058	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+K"	38.963158
"313771"	241.075117	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+H+K"	39.970434
"706153"	351.620067	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+H+K"	39.970434
"1458271"	130.530167	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H+K"	39.970434
"250640"	484.213626	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+H"	42.033826
"1225610"	263.123726	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+H"	42.033826
"1209750"	132.065501	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+2H"	43.041102
"203870"	487.15096	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na-H"	44.97116
"644194"	708.24086	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na-H"	44.97116
"1146896"	266.06106	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2Na-H"	44.97116
"188331"	244.079118	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+2Na"	45.978436
"624799"	354.624068	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+2Na"	45.978436
"1131317"	133.534168	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2Na"	45.978436
"1414114"	89.3585373333333	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H+2Na"	46.985712
"1445290"	268.102646	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H+HCOOH"	47.012746
"235666"	249.11214	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+3H2O+2H"	56.04448
"1524021"	282.15469	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+H"	61.06479
"421395"	252.066088	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+Na+K"	61.952376
"784943"	362.611038	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+Na+K"	61.952376
"1680789"	141.521138	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Na+K"	61.952376
"264877"	506.195568	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+ACN+Na"	64.015768
"1239045"	285.105668	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+ACN+Na"	64.015768
"1726837"	285.129193	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+HCOOH"	64.039293
"1193855"	96.6858513333333	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+3Na"	68.967654
"1665323"	290.084588	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Na+HCOOH"	68.994688
"170037"	519.09884	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+2K-H"	76.91904
"608502"	740.18874	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+2K-H"	76.91904
"1096293"	298.00894	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2K-H"	76.91904
"155298"	260.053058	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"2M+2K"	77.926316
"593767"	370.598008	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"3M+2K"	77.926316
"1078279"	149.508108	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2K"	77.926316
"1113323"	300.023492	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2K+H"	78.933592
"1347880"	300.111107	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+DMSO+H"	79.021207
"1018597"	304.150276	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+H"	83.060376
"1537452"	305.143908	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+IsoProp+Na+H"	84.054008
"1002075"	152.578776	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+2ACN+2H"	84.067652
"1597675"	306.058528	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+K+HCOOH"	84.968628
"1427709"	336.090038	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+H+CF3COOH"	115.000138
"1155807"	173.092051	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+3ACN+2H"	125.094202
"1712689"	353.116585	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+NH4+CF3COOH"	132.026685
"1648668"	358.07198	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+Na+CF3COOH"	136.98208
"1582129"	374.04592	"C21061"	"N-Acetyl-D-talosamine;2-Acetamido-2-deoxy-D-talopyranose"	"C8H15NO6"	"221.0899"	"M+K+CF3COOH"	152.95602
"802654"	148.0736	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M"	0
"974879"	129.05521	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H2O-H"	-19.01839
"63526"	97.7084573333333	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-3H"	-3.021828
"503531"	147.066324	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-3H"	-3.021828
"886165"	48.3505906666667	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-3H"	-3.021828
"3647"	147.066324	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H"	-2.014552
"443208"	221.103124	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H"	-2.014552
"821010"	73.029524	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H"	-2.014552
"87567"	295.139924	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H"	-1.007276
"527128"	443.213524	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H"	-1.007276
"904930"	147.066324	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H"	-1.007276
"56027"	312.166471	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+NH4"	16.019271
"496678"	460.240071	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+NH4"	16.019271
"873390"	164.092871	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+NH4"	16.019271
"43847"	317.121866	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+Na"	20.974666
"481947"	465.195466	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+Na"	20.974666
"860116"	169.048266	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+Na"	20.974666
"1629650"	169.048266	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na-2H"	20.974666
"104355"	165.054663	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-H+Cl"	33.962126
"543188"	239.091463	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-H+Cl"	33.962126
"932327"	91.017863	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+Cl"	33.962126
"273070"	331.116602	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Cl"	34.969402
"664762"	479.190202	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Cl"	34.969402
"1277895"	183.043002	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl"	34.969402
"20817"	333.095806	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M-2H+K"	36.948606
"464752"	481.169406	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M-2H+K"	36.948606
"837450"	185.022206	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-2H+K"	36.948606
"1564584"	185.022206	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K-2H"	36.948606
"945540"	193.071794	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+HCOOH"	44.998194
"363025"	341.145401	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+HCOOH-H"	44.998201
"350922"	355.161051	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Hac-H"	59.013851
"1499389"	207.087451	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Hac-H"	59.013851
"960733"	215.053751	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+NaCOOH"	66.980151
"112557"	183.043002	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Cl"	69.938804
"553210"	257.079802	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Cl"	69.938804
"1021447"	109.006202	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Cl"	69.938804
"1242196"	226.992485	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Br"	78.918885
"1308049"	229.048472	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+HCOOH"	80.974872
"1322996"	251.030429	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+NaCOOH"	102.956829
"923175"	261.059186	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M-H+CF3COOH"	112.985586
"1295508"	297.035864	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Cl+CF3COOH"	148.962264
"1381205"	113.060924	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-2H2O"	-35.012676
"1394448"	131.0709	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H-H2O"	-17.0027
"289760"	297.154476	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H"	1.007276
"683278"	445.228076	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H"	1.007276
"1355251"	149.080876	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H"	1.007276
"128139"	149.080876	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2H"	2.014552
"568424"	223.117676	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2H"	2.014552
"1043061"	75.044076	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H"	2.014552
"205730"	99.7230093333333	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H"	3.021828
"648336"	149.080876	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+3H"	3.021828
"1163421"	50.3651426666667	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+3H"	3.021828
"426451"	314.181023	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+NH4"	18.033823
"786714"	462.254623	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+NH4"	18.033823
"1682558"	166.107423	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4"	18.033823
"334239"	157.5941495	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+NH4"	19.041099
"724838"	231.6309495	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+NH4"	19.041099
"1487054"	83.5573495	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+NH4"	19.041099
"406834"	319.136418	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na"	22.989218
"766736"	467.210018	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na"	22.989218
"1617027"	171.062818	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na"	22.989218
"328154"	160.071847	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+Na"	23.996494
"718386"	234.108647	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+Na"	23.996494
"1468936"	86.035047	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+Na"	23.996494
"1058900"	57.6924566666667	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2H+Na"	25.00377
"1267866"	181.107086	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+CH3OH+H"	33.033486
"391181"	335.110358	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+K"	38.963158
"752907"	483.183958	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+K"	38.963158
"1552042"	187.036758	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K"	38.963158
"312864"	168.058817	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+H+K"	39.970434
"705290"	242.095617	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+H+K"	39.970434
"1459111"	94.022017	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+K"	39.970434
"250263"	338.181026	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+H"	42.033826
"1225331"	190.107426	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+H"	42.033826
"1209693"	95.557351	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+2H"	43.041102
"203008"	341.11836	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na-H"	44.97116
"643785"	489.19196	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na-H"	44.97116
"1143886"	193.04476	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na-H"	44.97116
"186083"	171.062818	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2Na"	45.978436
"622723"	245.099618	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2Na"	45.978436
"1130488"	97.026018	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2Na"	45.978436
"1414156"	65.0197706666667	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+2Na"	46.985712
"1445156"	195.086346	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+HCOOH"	47.012746
"235098"	176.09584	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+3H2O+2H"	56.04448
"1523643"	209.13839	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+H"	61.06479
"421505"	179.049788	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+Na+K"	61.952376
"783959"	253.086588	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+Na+K"	61.952376
"1679197"	105.012988	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+K"	61.952376
"264987"	360.162968	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+ACN+Na"	64.015768
"1240979"	212.089368	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+ACN+Na"	64.015768
"1725853"	212.112893	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+HCOOH"	64.039293
"1193520"	72.3470846666667	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+3Na"	68.967654
"1665109"	217.068288	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+HCOOH"	68.994688
"170147"	373.06624	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K-H"	76.91904
"606426"	521.13984	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K-H"	76.91904
"1093123"	224.99264	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K-H"	76.91904
"155045"	187.036758	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"2M+2K"	77.926316
"590597"	261.073558	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"3M+2K"	77.926316
"1074015"	112.999958	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K"	77.926316
"1114162"	227.007192	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2K+H"	78.933592
"1347989"	227.094807	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+DMSO+H"	79.021207
"1018705"	231.133976	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+H"	83.060376
"1535377"	232.127608	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+IsoProp+Na+H"	84.054008
"999999"	116.070626	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+2ACN+2H"	84.067652
"1597785"	233.042228	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+HCOOH"	84.968628
"1427819"	263.073738	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+H+CF3COOH"	115.000138
"1155917"	136.583901	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+3ACN+2H"	125.094202
"1712596"	280.100285	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+NH4+CF3COOH"	132.026685
"1649632"	285.05568	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+Na+CF3COOH"	136.98208
"1582239"	301.02962	"C21062"	"Tyvelose;36-Dideoxy-D-arabino-hexopyranose"	"C6H12O4"	"148.0736"	"M+K+CF3COOH"	152.95602
"804950"	238.0689	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M"	0
"974953"	219.05051	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-H2O-H"	-19.01839
"64167"	157.705324	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M-3H"	-3.021828
"503607"	237.061624	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M-3H"	-3.021828
"886275"	78.349024	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-3H"	-3.021828
"719"	237.061624	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M-2H"	-2.014552
"443318"	356.096074	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M-2H"	-2.014552
"821120"	118.027174	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-2H"	-2.014552
"89863"	475.130524	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M-H"	-1.007276
"529424"	713.199424	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M-H"	-1.007276
"907226"	237.061624	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-H"	-1.007276
"58323"	492.157071	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M-2H+NH4"	16.019271
"495695"	730.225971	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M-2H+NH4"	16.019271
"873500"	254.088171	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-2H+NH4"	16.019271
"42863"	497.112466	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M-2H+Na"	20.974666
"480963"	735.181366	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M-2H+Na"	20.974666
"860591"	259.043566	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-2H+Na"	20.974666
"1632676"	259.043566	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Na-2H"	20.974666
"104465"	255.049963	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M-H+Cl"	33.962126
"544757"	374.084413	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M-H+Cl"	33.962126
"932437"	136.015513	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-H+Cl"	33.962126
"272086"	511.107202	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+Cl"	34.969402
"665601"	749.176102	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+Cl"	34.969402
"1279098"	273.038302	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Cl"	34.969402
"22020"	513.086406	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M-2H+K"	36.948606
"464862"	751.155306	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M-2H+K"	36.948606
"838653"	275.017506	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-2H+K"	36.948606
"1564694"	275.017506	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+K-2H"	36.948606
"946014"	283.067094	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-H+HCOOH"	44.998194
"363499"	521.136001	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+HCOOH-H"	44.998201
"352854"	535.151651	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+Hac-H"	59.013851
"1499135"	297.082751	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Hac-H"	59.013851
"960843"	305.049051	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-H+NaCOOH"	66.980151
"112666"	273.038302	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+2Cl"	69.938804
"551497"	392.072752	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+2Cl"	69.938804
"1021512"	154.003852	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2Cl"	69.938804
"1242057"	316.987785	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Br"	78.918885
"1304191"	319.043772	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Cl+HCOOH"	80.974872
"1326022"	341.025729	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Cl+NaCOOH"	102.956829
"923285"	351.054486	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M-H+CF3COOH"	112.985586
"1296712"	387.031164	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Cl+CF3COOH"	148.962264
"1381194"	203.056224	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H-2H2O"	-35.012676
"1394558"	221.0662	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H-H2O"	-17.0027
"288777"	477.145076	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+H"	1.007276
"683388"	715.213976	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+H"	1.007276
"1356454"	239.076176	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H"	1.007276
"128977"	239.076176	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+2H"	2.014552
"568170"	358.110626	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+2H"	2.014552
"1045357"	120.041726	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2H"	2.014552
"206329"	159.719876	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+3H"	3.021828
"651725"	239.076176	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+3H"	3.021828
"1163774"	80.363576	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+3H"	3.021828
"427655"	494.171623	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+NH4"	18.033823
"786946"	732.240523	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+NH4"	18.033823
"1681939"	256.102723	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+NH4"	18.033823
"333255"	247.5894495	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+H+NH4"	19.041099
"724704"	366.6238995	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+H+NH4"	19.041099
"1489351"	128.5549995	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H+NH4"	19.041099
"405851"	499.127018	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+Na"	22.989218
"766843"	737.195918	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+Na"	22.989218
"1617624"	261.058118	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Na"	22.989218
"327534"	250.067147	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+H+Na"	23.996494
"718496"	369.101597	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+H+Na"	23.996494
"1471233"	131.032697	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H+Na"	23.996494
"1063384"	87.69089	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2H+Na"	25.00377
"1262874"	271.102386	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+CH3OH+H"	33.033486
"390561"	515.100958	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+K"	38.963158
"752651"	753.169858	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+K"	38.963158
"1553612"	277.032058	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+K"	38.963158
"313460"	258.054117	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+H+K"	39.970434
"706253"	377.088567	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+H+K"	39.970434
"1461045"	139.019667	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H+K"	39.970434
"250132"	518.171626	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+ACN+H"	42.033826
"1225035"	280.102726	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+ACN+H"	42.033826
"1208426"	140.555001	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+ACN+2H"	43.041102
"203811"	521.10896	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+2Na-H"	44.97116
"643734"	759.17786	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+2Na-H"	44.97116
"1144357"	283.04006	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2Na-H"	44.97116
"187043"	261.058118	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+2Na"	45.978436
"623926"	380.092568	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+2Na"	45.978436
"1129996"	142.023668	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2Na"	45.978436
"1412787"	95.018204	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H+2Na"	46.985712
"1444542"	285.081646	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H+HCOOH"	47.012746
"234239"	266.09114	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+3H2O+2H"	56.04448
"1522660"	299.13369	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+IsoProp+H"	61.06479
"422343"	269.045088	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+Na+K"	61.952376
"784435"	388.079538	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+Na+K"	61.952376
"1679309"	150.010638	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Na+K"	61.952376
"262180"	540.153568	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+ACN+Na"	64.015768
"1239268"	302.084668	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+ACN+Na"	64.015768
"1725964"	302.108193	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+NH4+HCOOH"	64.039293
"1192050"	102.345518	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+3Na"	68.967654
"1663399"	307.063588	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Na+HCOOH"	68.994688
"170254"	553.05684	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+2K-H"	76.91904
"605440"	791.12574	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+2K-H"	76.91904
"1096513"	314.98794	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2K-H"	76.91904
"156493"	277.032058	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"2M+2K"	77.926316
"592893"	396.066508	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"3M+2K"	77.926316
"1076311"	157.997608	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2K"	77.926316
"1112450"	317.002492	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2K+H"	78.933592
"1343727"	317.090107	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+DMSO+H"	79.021207
"1015536"	321.129276	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2ACN+H"	83.060376
"1534029"	322.122908	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+IsoProp+Na+H"	84.054008
"1000107"	161.068276	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+2ACN+2H"	84.067652
"1596802"	323.037528	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+K+HCOOH"	84.968628
"1426836"	353.069038	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+H+CF3COOH"	115.000138
"1158213"	181.581551	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+3ACN+2H"	125.094202
"1712147"	370.095585	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+NH4+CF3COOH"	132.026685
"1649618"	375.05098	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+Na+CF3COOH"	136.98208
"1582349"	391.02492	"C21063"	"Ketodeoxyoctonic acid;Ketodeoxyoctulonic acid;3-Deoxy-D-manno-oct-2-ulopyranosonic acid"	"C8H14O8"	"238.0689"	"M+K+CF3COOH"	152.95602
"802874"	242.0096	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M"	0
"974250"	222.99121	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-H2O-H"	-19.01839
"62951"	160.332457333333	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M-3H"	-3.021828
"502857"	241.002324	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M-3H"	-3.021828
"884199"	79.6625906666667	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-3H"	-3.021828
"708"	241.002324	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M-2H"	-2.014552
"443428"	362.007124	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M-2H"	-2.014552
"821230"	119.997524	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-2H"	-2.014552
"79396"	483.011924	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M-H"	-1.007276
"519689"	725.021524	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M-H"	-1.007276
"896518"	241.002324	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-H"	-1.007276
"49308"	500.038471	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M-2H+NH4"	16.019271
"499817"	742.048071	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M-2H+NH4"	16.019271
"877258"	258.028871	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-2H+NH4"	16.019271
"44427"	504.993866	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M-2H+Na"	20.974666
"482893"	747.003466	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M-2H+Na"	20.974666
"857783"	262.984266	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-2H+Na"	20.974666
"1622940"	262.984266	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Na-2H"	20.974666
"99469"	258.990663	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M-H+Cl"	33.962126
"535748"	379.995463	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M-H+Cl"	33.962126
"927802"	137.985863	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-H+Cl"	33.962126
"267570"	518.988602	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+Cl"	34.969402
"666077"	760.998202	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+Cl"	34.969402
"1274469"	276.979002	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Cl"	34.969402
"16172"	520.967806	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M-2H+K"	36.948606
"458409"	762.977406	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M-2H+K"	36.948606
"837669"	278.958206	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-2H+K"	36.948606
"1558970"	278.958206	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+K-2H"	36.948606
"949041"	287.007794	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-H+HCOOH"	44.998194
"367256"	529.017401	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+HCOOH-H"	44.998201
"352964"	543.033051	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+Hac-H"	59.013851
"1501432"	301.023451	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Hac-H"	59.013851
"959616"	308.989751	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-H+NaCOOH"	66.980151
"113871"	276.979002	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+2Cl"	69.938804
"550186"	397.983802	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+2Cl"	69.938804
"1021493"	155.974202	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2Cl"	69.938804
"1243266"	320.928485	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Br"	78.918885
"1304337"	322.984472	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Cl+HCOOH"	80.974872
"1324309"	344.966429	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Cl+NaCOOH"	102.956829
"923395"	354.995186	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M-H+CF3COOH"	112.985586
"1299009"	390.971864	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Cl+CF3COOH"	148.962264
"1381425"	206.996924	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H-2H2O"	-35.012676
"1394668"	225.0069	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H-H2O"	-17.0027
"291073"	485.026476	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+H"	1.007276
"683497"	727.036076	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+H"	1.007276
"1357657"	243.016876	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H"	1.007276
"128723"	243.016876	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+2H"	2.014552
"567917"	364.021676	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+2H"	2.014552
"1038905"	122.012076	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2H"	2.014552
"204369"	162.347009333333	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+3H"	3.021828
"649648"	243.016876	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+3H"	3.021828
"1164493"	81.6771426666667	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+3H"	3.021828
"427764"	502.053023	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+NH4"	18.033823
"788757"	744.062623	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+NH4"	18.033823
"1681299"	260.043423	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+NH4"	18.033823
"330009"	251.5301495	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+H+NH4"	19.041099
"723111"	372.5349495	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+H+NH4"	19.041099
"1484357"	130.5253495	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H+NH4"	19.041099
"406326"	507.008418	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+Na"	22.989218
"768420"	749.018018	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+Na"	22.989218
"1615786"	264.998818	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Na"	22.989218
"329104"	254.007847	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+H+Na"	23.996494
"721887"	375.012647	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+H+Na"	23.996494
"1472437"	133.003047	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H+Na"	23.996494
"1062400"	89.0044566666667	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2H+Na"	25.00377
"1266264"	275.043086	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+CH3OH+H"	33.033486
"389212"	522.982358	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+K"	38.963158
"752397"	764.991958	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+K"	38.963158
"1553358"	280.972758	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+K"	38.963158
"313083"	261.994817	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+H+K"	39.970434
"704784"	382.999617	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+H+K"	39.970434
"1460061"	140.990017	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H+K"	39.970434
"248662"	526.053026	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+ACN+H"	42.033826
"1224780"	284.043426	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+ACN+H"	42.033826
"1208901"	142.525351	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+ACN+2H"	43.041102
"203108"	528.99036	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+2Na-H"	44.97116
"643030"	770.99996	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+2Na-H"	44.97116
"1141186"	286.98076	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2Na-H"	44.97116
"182288"	264.998818	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+2Na"	45.978436
"621480"	386.003618	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+2Na"	45.978436
"1130959"	143.994018	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2Na"	45.978436
"1413956"	96.3317706666667	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H+2Na"	46.985712
"1444895"	289.022346	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H+HCOOH"	47.012746
"234710"	270.03184	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+3H2O+2H"	56.04448
"1522408"	303.07439	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+IsoProp+H"	61.06479
"423914"	272.985788	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+Na+K"	61.952376
"783812"	393.990588	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+Na+K"	61.952376
"1679419"	151.980988	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Na+K"	61.952376
"264841"	548.034968	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+ACN+Na"	64.015768
"1239014"	306.025368	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+ACN+Na"	64.015768
"1725713"	306.048893	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+NH4+HCOOH"	64.039293
"1192162"	103.659084666667	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+3Na"	68.967654
"1663874"	311.004288	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Na+HCOOH"	68.994688
"168177"	560.93824	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+2K-H"	76.91904
"604457"	802.94784	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+2K-H"	76.91904
"1095530"	318.92864	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2K-H"	76.91904
"155506"	280.972758	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"2M+2K"	77.926316
"586440"	401.977558	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"3M+2K"	77.926316
"1074233"	159.967958	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2K"	77.926316
"1111832"	320.943192	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2K+H"	78.933592
"1346752"	321.030807	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+DMSO+H"	79.021207
"1016739"	325.069976	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2ACN+H"	83.060376
"1534866"	326.063608	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+IsoProp+Na+H"	84.054008
"1000217"	163.038626	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+2ACN+2H"	84.067652
"1600191"	326.978228	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+K+HCOOH"	84.968628
"1425849"	357.009738	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+H+CF3COOH"	115.000138
"1153950"	183.551901	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+3ACN+2H"	125.094202
"1712255"	374.036285	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+NH4+CF3COOH"	132.026685
"1648639"	378.99168	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+Na+CF3COOH"	136.98208
"1582459"	394.96562	"C21064"	"6-Deoxy-6-sulfo-D-glucono-15-lactone"	"C6H10O8S"	"242.0096"	"M+K+CF3COOH"	152.95602
"804077"	181.06	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M"	0
"974386"	162.04161	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-H2O-H"	-19.01839
"63056"	119.699390666667	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M-3H"	-3.021828
"503224"	180.052724	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M-3H"	-3.021828
"882120"	59.3460573333333	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-3H"	-3.021828
"7256"	180.052724	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M-2H"	-2.014552
"443538"	270.582724	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M-2H"	-2.014552
"822433"	89.522724	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-2H"	-2.014552
"79384"	361.112724	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M-H"	-1.007276
"519069"	542.172724	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M-H"	-1.007276
"897233"	180.052724	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-H"	-1.007276
"50512"	378.139271	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M-2H+NH4"	16.019271
"491538"	559.199271	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M-2H+NH4"	16.019271
"876636"	197.079271	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-2H+NH4"	16.019271
"44173"	383.094666	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M-2H+Na"	20.974666
"483003"	564.154666	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M-2H+Na"	20.974666
"854611"	202.034666	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-2H+Na"	20.974666
"1621957"	202.034666	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Na-2H"	20.974666
"99579"	198.041063	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M-H+Cl"	33.962126
"535858"	288.571063	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M-H+Cl"	33.962126
"929008"	107.511063	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-H+Cl"	33.962126
"267517"	397.089402	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+Cl"	34.969402
"665823"	578.149402	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+Cl"	34.969402
"1274216"	216.029402	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Cl"	34.969402
"15995"	399.068606	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M-2H+K"	36.948606
"458519"	580.128606	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M-2H+K"	36.948606
"835592"	218.008606	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-2H+K"	36.948606
"1559080"	218.008606	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+K-2H"	36.948606
"948423"	226.058194	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-H+HCOOH"	44.998194
"364086"	407.118201	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+HCOOH-H"	44.998201
"352710"	421.133851	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+Hac-H"	59.013851
"1501542"	240.073851	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Hac-H"	59.013851
"961065"	248.040151	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-H+NaCOOH"	66.980151
"113253"	216.029402	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+2Cl"	69.938804
"550254"	306.559402	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+2Cl"	69.938804
"1022092"	125.499402	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2Cl"	69.938804
"1242648"	259.978885	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Br"	78.918885
"1304360"	262.034872	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Cl+HCOOH"	80.974872
"1320405"	284.016829	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Cl+NaCOOH"	102.956829
"920220"	294.045586	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M-H+CF3COOH"	112.985586
"1299116"	330.022264	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Cl+CF3COOH"	148.962264
"1375092"	146.047324	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H-2H2O"	-35.012676
"1395871"	164.0573	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H-H2O"	-17.0027
"291183"	363.127276	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+H"	1.007276
"684700"	544.187276	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+H"	1.007276
"1354487"	182.067276	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H"	1.007276
"127375"	182.067276	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+2H"	2.014552
"569120"	272.597276	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+2H"	2.014552
"1041201"	91.537276	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2H"	2.014552
"204373"	121.713942666667	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+3H"	3.021828
"648664"	182.067276	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+3H"	3.021828
"1165694"	61.3606093333333	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+3H"	3.021828
"426780"	380.153823	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+NH4"	18.033823
"785950"	561.213823	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+NH4"	18.033823
"1681504"	199.093823	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+NH4"	18.033823
"330228"	190.5805495	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+H+NH4"	19.041099
"723340"	281.1105495	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+H+NH4"	19.041099
"1485196"	100.0505495	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H+NH4"	19.041099
"402783"	385.109218	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+Na"	22.989218
"767790"	566.169218	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+Na"	22.989218
"1616260"	204.049218	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Na"	22.989218
"326296"	193.058247	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+H+Na"	23.996494
"721632"	283.588247	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+H+Na"	23.996494
"1474734"	102.528247	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H+Na"	23.996494
"1064698"	68.6879233333333	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2H+Na"	25.00377
"1269654"	214.093486	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+CH3OH+H"	33.033486
"390417"	401.083158	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+K"	38.963158
"752506"	582.143158	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+K"	38.963158
"1554925"	220.023158	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+K"	38.963158
"314011"	201.045217	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+H+K"	39.970434
"707038"	291.575217	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+H+K"	39.970434
"1460946"	110.515217	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H+K"	39.970434
"250594"	404.153826	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+ACN+H"	42.033826
"1225602"	223.093826	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+ACN+H"	42.033826
"1208283"	112.050551	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+ACN+2H"	43.041102
"203907"	407.09116	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+2Na-H"	44.97116
"643995"	588.15116	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+2Na-H"	44.97116
"1143483"	226.03116	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2Na-H"	44.97116
"180211"	204.049218	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+2Na"	45.978436
"623047"	294.579218	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+2Na"	45.978436
"1130949"	113.519218	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2Na"	45.978436
"1414109"	76.0152373333333	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H+2Na"	46.985712
"1445209"	228.072746	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H+HCOOH"	47.012746
"235633"	209.08224	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+3H2O+2H"	56.04448
"1524053"	242.12479	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+IsoProp+H"	61.06479
"423785"	212.036188	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+Na+K"	61.952376
"784288"	302.566188	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+Na+K"	61.952376
"1678064"	121.506188	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Na+K"	61.952376
"264951"	426.135768	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+ACN+Na"	64.015768
"1240342"	245.075768	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+ACN+Na"	64.015768
"1725824"	245.099293	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+NH4+HCOOH"	64.039293
"1193363"	83.3425513333333	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+3Na"	68.967654
"1665076"	250.054688	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Na+HCOOH"	68.994688
"168287"	439.03904	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+2K-H"	76.91904
"604567"	620.09904	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+2K-H"	76.91904
"1095640"	257.97904	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2K-H"	76.91904
"155374"	220.023158	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"2M+2K"	77.926316
"585457"	310.553158	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"3M+2K"	77.926316
"1073249"	129.493158	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2K"	77.926316
"1112665"	259.993592	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2K+H"	78.933592
"1346132"	260.081207	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+DMSO+H"	79.021207
"1018307"	264.120376	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2ACN+H"	83.060376
"1536069"	265.114008	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+IsoProp+Na+H"	84.054008
"1000326"	132.563826	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+2ACN+2H"	84.067652
"1598115"	266.028628	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+K+HCOOH"	84.968628
"1424866"	296.060138	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+H+CF3COOH"	115.000138
"1155153"	153.077101	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+3ACN+2H"	125.094202
"1711271"	313.086685	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+NH4+CF3COOH"	132.026685
"1646919"	318.04208	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+Na+CF3COOH"	136.98208
"1579289"	334.01602	"C21065"	"78-Dihydroxanthopterin"	"C6H7N5O2"	"181.06"	"M+K+CF3COOH"	152.95602
"803094"	180.0634	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M"	0
"974428"	161.04501	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-H2O-H"	-19.01839
"63238"	119.034990666667	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M-3H"	-3.021828
"503369"	179.056124	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M-3H"	-3.021828
"880364"	59.0138573333333	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-3H"	-3.021828
"6273"	179.056124	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M-2H"	-2.014552
"443648"	269.087824	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M-2H"	-2.014552
"818171"	89.024424	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-2H"	-2.014552
"78585"	359.119524	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M-H"	-1.007276
"518572"	539.182924	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M-H"	-1.007276
"896122"	179.056124	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-H"	-1.007276
"48432"	376.146071	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M-2H+NH4"	16.019271
"488357"	556.209471	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M-2H+NH4"	16.019271
"873464"	196.082671	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-2H+NH4"	16.019271
"43554"	381.101466	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M-2H+Na"	20.974666
"482749"	561.164866	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M-2H+Na"	20.974666
"855814"	201.038066	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-2H+Na"	20.974666
"1622067"	201.038066	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Na-2H"	20.974666
"96409"	197.044463	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M-H+Cl"	33.962126
"534308"	287.076163	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M-H+Cl"	33.962126
"927660"	107.012763	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-H+Cl"	33.962126
"268770"	395.096202	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+Cl"	34.969402
"663378"	575.159602	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+Cl"	34.969402
"1272784"	215.032802	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Cl"	34.969402
"15856"	397.075406	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M-2H+K"	36.948606
"459722"	577.138806	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M-2H+K"	36.948606
"832895"	217.012006	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-2H+K"	36.948606
"1555711"	217.012006	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+K-2H"	36.948606
"943424"	225.061594	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-H+HCOOH"	44.998194
"363832"	405.125001	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+HCOOH-H"	44.998201
"351726"	419.140651	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+Hac-H"	59.013851
"1493996"	239.077251	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Hac-H"	59.013851
"960811"	247.043551	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-H+NaCOOH"	66.980151
"113363"	215.032802	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+2Cl"	69.938804
"550240"	305.064502	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+2Cl"	69.938804
"1021711"	125.001102	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2Cl"	69.938804
"1242151"	258.982285	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Br"	78.918885
"1304280"	261.038272	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Cl+HCOOH"	80.974872
"1319947"	283.020229	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Cl+NaCOOH"	102.956829
"917050"	293.048986	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M-H+CF3COOH"	112.985586
"1300319"	329.025664	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Cl+CF3COOH"	148.962264
"1374108"	145.050724	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H-2H2O"	-35.012676
"1395981"	163.0607	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H-H2O"	-17.0027
"289106"	361.134076	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+H"	1.007276
"677151"	541.197476	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+H"	1.007276
"1356784"	181.070676	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H"	1.007276
"128579"	181.070676	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+2H"	2.014552
"569230"	271.102376	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+2H"	2.014552
"1041311"	91.038976	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2H"	2.014552
"204590"	121.049542666667	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+3H"	3.021828
"650960"	181.070676	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+3H"	3.021828
"1164711"	61.0284093333333	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+3H"	3.021828
"424946"	378.160623	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+NH4"	18.033823
"786015"	558.224023	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+NH4"	18.033823
"1681821"	198.097223	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+NH4"	18.033823
"330302"	189.5839495	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+H+NH4"	19.041099
"723573"	279.6156495	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+H+NH4"	19.041099
"1485306"	99.5522495	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H+NH4"	19.041099
"402893"	383.116018	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+Na"	22.989218
"767170"	563.179418	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+Na"	22.989218
"1611992"	203.052618	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Na"	22.989218
"326765"	192.061647	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+H+Na"	23.996494
"717728"	282.093347	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+H+Na"	23.996494
"1472656"	102.029947	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H+Na"	23.996494
"1064808"	68.3557233333333	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2H+Na"	25.00377
"1269400"	213.096886	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+CH3OH+H"	33.033486
"389431"	399.089958	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+K"	38.963158
"750429"	579.153358	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+K"	38.963158
"1552482"	219.026558	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+K"	38.963158
"314034"	200.048617	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+H+K"	39.970434
"705369"	290.080317	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+H+K"	39.970434
"1459917"	110.016917	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H+K"	39.970434
"250947"	402.160626	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+ACN+H"	42.033826
"1224143"	222.097226	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+ACN+H"	42.033826
"1208270"	111.552251	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+ACN+2H"	43.041102
"203324"	405.09796	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+2Na-H"	44.97116
"644208"	585.16136	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+2Na-H"	44.97116
"1141406"	225.03456	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2Na-H"	44.97116
"181414"	203.052618	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+2Na"	45.978436
"621335"	293.084318	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+2Na"	45.978436
"1130815"	113.020918	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2Na"	45.978436
"1414101"	75.6830373333333	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H+2Na"	46.985712
"1443405"	227.076146	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H+HCOOH"	47.012746
"234193"	208.08564	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+3H2O+2H"	56.04448
"1524028"	241.12819	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+IsoProp+H"	61.06479
"424157"	211.039588	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+Na+K"	61.952376
"783548"	301.071288	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+Na+K"	61.952376
"1678174"	121.007888	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Na+K"	61.952376
"265425"	424.142568	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+ACN+Na"	64.015768
"1240815"	244.079168	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+ACN+Na"	64.015768
"1728357"	244.102693	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+NH4+HCOOH"	64.039293
"1192988"	83.0103513333333	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+3Na"	68.967654
"1664095"	249.058088	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Na+HCOOH"	68.994688
"168397"	437.04584	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+2K-H"	76.91904
"604677"	617.10924	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+2K-H"	76.91904
"1092470"	256.98244	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2K-H"	76.91904
"152567"	219.026558	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"2M+2K"	77.926316
"585567"	309.058258	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"3M+2K"	77.926316
"1070080"	128.994858	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2K"	77.926316
"1112411"	258.996992	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2K+H"	78.933592
"1345149"	259.084607	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+DMSO+H"	79.021207
"1018052"	263.123776	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2ACN+H"	83.060376
"1536544"	264.117408	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+IsoProp+Na+H"	84.054008
"1000436"	132.065526	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+2ACN+2H"	84.067652
"1598225"	265.032028	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+K+HCOOH"	84.968628
"1426069"	295.063538	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+H+CF3COOH"	115.000138
"1155263"	152.578801	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+3ACN+2H"	125.094202
"1712557"	312.090085	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+NH4+CF3COOH"	132.026685
"1647029"	317.04548	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+Na+CF3COOH"	136.98208
"1579399"	333.01942	"C21066"	"D-Galactofuranose"	"C6H12O6"	"180.0634"	"M+K+CF3COOH"	152.95602
"809765"	150.0528	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M"	0
"975278"	131.03441	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H2O-H"	-19.01839
"70445"	99.027924	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-3H"	-3.021828
"506728"	149.045524	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-3H"	-3.021828
"887810"	49.010324	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-3H"	-3.021828
"8572"	149.045524	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H"	-2.014552
"445945"	224.071924	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H"	-2.014552
"820468"	74.019124	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H"	-2.014552
"79155"	299.098324	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-H"	-1.007276
"518800"	449.151124	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-H"	-1.007276
"896479"	149.045524	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H"	-1.007276
"47937"	316.124871	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+NH4"	16.019271
"489924"	466.177671	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+NH4"	16.019271
"875396"	166.072071	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+NH4"	16.019271
"44757"	321.080266	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+Na"	20.974666
"483587"	471.133066	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+Na"	20.974666
"853737"	171.027466	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+Na"	20.974666
"1625457"	171.027466	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na-2H"	20.974666
"94696"	167.033863	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-H+Cl"	33.962126
"534279"	242.060263	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-H+Cl"	33.962126
"927770"	92.007463	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+Cl"	33.962126
"267369"	335.075002	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Cl"	34.969402
"660115"	485.127802	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Cl"	34.969402
"1272842"	185.022202	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl"	34.969402
"16046"	337.054206	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M-2H+K"	36.948606
"458009"	487.107006	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M-2H+K"	36.948606
"832814"	187.001406	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-2H+K"	36.948606
"1556016"	187.001406	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K-2H"	36.948606
"944628"	195.050994	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+HCOOH"	44.998194
"362111"	345.103801	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+HCOOH-H"	44.998201
"347457"	359.119451	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Hac-H"	59.013851
"1495927"	209.066651	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Hac-H"	59.013851
"961649"	217.032951	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+NaCOOH"	66.980151
"112014"	185.022202	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Cl"	69.938804
"550479"	260.048602	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Cl"	69.938804
"1021704"	109.995802	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Cl"	69.938804
"1242868"	228.971685	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Br"	78.918885
"1304586"	231.027672	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+HCOOH"	80.974872
"1320380"	253.009629	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+NaCOOH"	102.956829
"918253"	263.038386	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M-H+CF3COOH"	112.985586
"1300429"	299.015064	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Cl+CF3COOH"	148.962264
"1374218"	115.040124	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H-2H2O"	-35.012676
"1392811"	133.0501	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H-H2O"	-17.0027
"291403"	301.112876	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H"	1.007276
"677262"	451.165676	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H"	1.007276
"1352758"	151.060076	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H"	1.007276
"128689"	151.060076	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2H"	2.014552
"565934"	226.086476	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2H"	2.014552
"1041421"	76.033676	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2H"	2.014552
"204701"	101.042476	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+3H"	3.021828
"651070"	151.060076	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+3H"	3.021828
"1164821"	51.024876	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3H"	3.021828
"425907"	318.139423	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+NH4"	18.033823
"786408"	468.192223	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+NH4"	18.033823
"1681564"	168.086623	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4"	18.033823
"331631"	159.5733495	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+NH4"	19.041099
"725025"	234.5997495	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+NH4"	19.041099
"1484686"	84.5469495	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+NH4"	19.041099
"399357"	323.094818	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Na"	22.989218
"767160"	473.147618	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Na"	22.989218
"1613923"	173.042018	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na"	22.989218
"327969"	162.051047	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+Na"	23.996494
"720024"	237.077447	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+Na"	23.996494
"1470580"	87.024647	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+Na"	23.996494
"1063096"	58.35219	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2H+Na"	25.00377
"1265500"	183.086286	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+CH3OH+H"	33.033486
"386262"	339.068758	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+K"	38.963158
"749446"	489.121558	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+K"	38.963158
"1551499"	189.015958	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K"	38.963158
"312319"	170.038017	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+H+K"	39.970434
"706534"	245.064417	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+H+K"	39.970434
"1460634"	95.011617	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+K"	39.970434
"250205"	342.139426	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+H"	42.033826
"1224253"	192.086626	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+H"	42.033826
"1208864"	96.546951	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+2H"	43.041102
"203921"	345.07676	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Na-H"	44.97116
"643845"	495.12956	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Na-H"	44.97116
"1140422"	195.02396	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Na-H"	44.97116
"180431"	173.042018	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2Na"	45.978436
"623266"	248.068418	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2Na"	45.978436
"1129590"	98.015618	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2Na"	45.978436
"1413227"	65.679504	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+2Na"	46.985712
"1443515"	197.065546	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+HCOOH"	47.012746
"234182"	178.07504	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+3H2O+2H"	56.04448
"1523594"	211.11759	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+H"	61.06479
"420959"	181.028988	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+Na+K"	61.952376
"783415"	256.055388	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+Na+K"	61.952376
"1679377"	106.002588	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+K"	61.952376
"265172"	364.121368	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+ACN+Na"	64.015768
"1241169"	214.068568	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+ACN+Na"	64.015768
"1728314"	214.092093	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4+HCOOH"	64.039293
"1192491"	73.006818	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3Na"	68.967654
"1664934"	219.047488	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+HCOOH"	68.994688
"168507"	377.02464	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2K-H"	76.91904
"608067"	527.07744	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2K-H"	76.91904
"1093673"	226.97184	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K-H"	76.91904
"153770"	189.015958	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"2M+2K"	77.926316
"592238"	264.042358	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"3M+2K"	77.926316
"1075658"	113.989558	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K"	77.926316
"1113614"	228.986392	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2K+H"	78.933592
"1345624"	229.074007	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+DMSO+H"	79.021207
"1018162"	233.113176	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+H"	83.060376
"1531911"	234.106808	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+IsoProp+Na+H"	84.054008
"995078"	117.060226	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+2ACN+2H"	84.067652
"1600519"	235.021428	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K+HCOOH"	84.968628
"1427272"	265.052938	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+H+CF3COOH"	115.000138
"1154278"	137.573501	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+3ACN+2H"	125.094202
"1709302"	282.079485	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+NH4+CF3COOH"	132.026685
"1647139"	287.03488	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+Na+CF3COOH"	136.98208
"1576228"	303.00882	"C21067"	"D-Arabinofuranose"	"C5H10O5"	"150.0528"	"M+K+CF3COOH"	152.95602
"806595"	207.0297	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M"	0
"974902"	188.01131	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-H2O-H"	-19.01839
"67275"	137.012524	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M-3H"	-3.021828
"513398"	206.022424	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M-3H"	-3.021828
"887919"	68.002624	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-3H"	-3.021828
"10869"	206.022424	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M-2H"	-2.014552
"446056"	309.537274	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M-2H"	-2.014552
"820578"	102.507574	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-2H"	-2.014552
"79351"	413.052124	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M-H"	-1.007276
"518573"	620.081824	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M-H"	-1.007276
"896102"	206.022424	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-H"	-1.007276
"47688"	430.078671	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M-2H+NH4"	16.019271
"490774"	637.108371	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M-2H+NH4"	16.019271
"878059"	223.048971	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-2H+NH4"	16.019271
"45231"	435.034066	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M-2H+Na"	20.974666
"481510"	642.063766	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M-2H+Na"	20.974666
"859314"	228.004366	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-2H+Na"	20.974666
"1625567"	228.004366	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Na-2H"	20.974666
"97722"	224.010763	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M-H+Cl"	33.962126
"536552"	327.525613	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M-H+Cl"	33.962126
"929703"	120.495913	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-H+Cl"	33.962126
"268005"	449.028802	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+Cl"	34.969402
"660711"	656.058502	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+Cl"	34.969402
"1274162"	241.999102	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Cl"	34.969402
"15919"	451.008006	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M-2H+K"	36.948606
"457026"	658.037706	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M-2H+K"	36.948606
"833279"	243.978306	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-2H+K"	36.948606
"1556246"	243.978306	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+K-2H"	36.948606
"944375"	252.027894	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-H+HCOOH"	44.998194
"363315"	459.057601	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+HCOOH-H"	44.998201
"349029"	473.073251	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+Hac-H"	59.013851
"1498592"	266.043551	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Hac-H"	59.013851
"958960"	274.009851	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-H+NaCOOH"	66.980151
"113216"	241.999102	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+2Cl"	69.938804
"551075"	345.513952	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+2Cl"	69.938804
"1022303"	138.484252	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2Cl"	69.938804
"1241550"	285.948585	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Br"	78.918885
"1304696"	288.004572	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Cl+HCOOH"	80.974872
"1320285"	309.986529	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Cl+NaCOOH"	102.956829
"919456"	320.015286	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M-H+CF3COOH"	112.985586
"1301632"	355.991964	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Cl+CF3COOH"	148.962264
"1377608"	172.017024	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H-2H2O"	-35.012676
"1392921"	190.027	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H-H2O"	-17.0027
"291513"	415.066676	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+H"	1.007276
"678465"	622.096376	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+H"	1.007276
"1352990"	208.036976	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H"	1.007276
"127699"	208.036976	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+2H"	2.014552
"567260"	311.551826	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+2H"	2.014552
"1041531"	104.522126	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2H"	2.014552
"204271"	139.027076	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+3H"	3.021828
"650087"	208.036976	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+3H"	3.021828
"1163959"	70.017176	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+3H"	3.021828
"431487"	432.093223	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+NH4"	18.033823
"788106"	639.122923	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+NH4"	18.033823
"1684438"	225.063523	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+NH4"	18.033823
"331133"	216.5502495	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+H+NH4"	19.041099
"727322"	320.0650995	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+H+NH4"	19.041099
"1483339"	113.0353995	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H+NH4"	19.041099
"398739"	437.048618	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+Na"	22.989218
"764108"	644.078318	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+Na"	22.989218
"1615490"	230.018918	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Na"	22.989218
"327592"	219.027947	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+H+Na"	23.996494
"720134"	322.542797	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+H+Na"	23.996494
"1470690"	115.513097	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H+Na"	23.996494
"1063206"	77.34449	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2H+Na"	25.00377
"1260144"	240.063186	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+CH3OH+H"	33.033486
"385279"	453.022558	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+K"	38.963158
"746276"	660.052258	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+K"	38.963158
"1550152"	245.992858	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+K"	38.963158
"307691"	227.014917	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+H+K"	39.970434
"705591"	330.529767	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+H+K"	39.970434
"1458923"	123.500067	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H+K"	39.970434
"249831"	456.093226	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+ACN+H"	42.033826
"1224487"	249.063526	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+ACN+H"	42.033826
"1208246"	125.035401	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+ACN+2H"	43.041102
"203303"	459.03056	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+2Na-H"	44.97116
"643348"	666.06026	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+2Na-H"	44.97116
"1140168"	252.00086	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2Na-H"	44.97116
"179448"	230.018918	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+2Na"	45.978436
"618276"	333.533768	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+2Na"	45.978436
"1130307"	126.504068	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2Na"	45.978436
"1411509"	84.671804	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H+2Na"	46.985712
"1443261"	254.042446	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H+HCOOH"	47.012746
"232226"	235.05194	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+3H2O+2H"	56.04448
"1523579"	268.09449	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+IsoProp+H"	61.06479
"419975"	238.005888	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+Na+K"	61.952376
"784131"	341.520738	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+Na+K"	61.952376
"1679855"	134.491038	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Na+K"	61.952376
"264915"	478.075168	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+ACN+Na"	64.015768
"1240675"	271.045468	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+ACN+Na"	64.015768
"1727130"	271.068993	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+NH4+HCOOH"	64.039293
"1192848"	91.999118	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+3Na"	68.967654
"1664922"	276.024388	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Na+HCOOH"	68.994688
"167524"	490.97844	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+2K-H"	76.91904
"608907"	698.00814	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+2K-H"	76.91904
"1093783"	283.94874	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2K-H"	76.91904
"153880"	245.992858	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"2M+2K"	77.926316
"591255"	349.507708	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"3M+2K"	77.926316
"1075768"	142.478008	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2K"	77.926316
"1113360"	285.963292	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2K+H"	78.933592
"1349380"	286.050907	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+DMSO+H"	79.021207
"1019732"	290.090076	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2ACN+H"	83.060376
"1536396"	291.083708	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+IsoProp+Na+H"	84.054008
"1001749"	145.548676	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+2ACN+2H"	84.067652
"1600264"	291.998328	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+K+HCOOH"	84.968628
"1425195"	322.029838	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+H+CF3COOH"	115.000138
"1154388"	166.061951	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+3ACN+2H"	125.094202
"1709412"	339.056385	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+NH4+CF3COOH"	132.026685
"1647249"	344.01178	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+Na+CF3COOH"	136.98208
"1579619"	359.98572	"C21068"	"5-(Aminomethyl)furan-3-ylmethyl phosphate;5-(Aminomethyl)-3-furanmethanol phosphate"	"C6H10NO5P"	"207.0297"	"M+K+CF3COOH"	152.95602
"803424"	286.996	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M"	0
"974456"	267.97761	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-H2O-H"	-19.01839
"64101"	190.323390666667	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M-3H"	-3.021828
"504760"	285.988724	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M-3H"	-3.021828
"884749"	94.6580573333333	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-3H"	-3.021828
"10979"	285.988724	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M-2H"	-2.014552
"445071"	429.486724	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M-2H"	-2.014552
"819594"	142.490724	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-2H"	-2.014552
"79828"	572.984724	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M-H"	-1.007276
"519021"	859.980724	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M-H"	-1.007276
"896581"	285.988724	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-H"	-1.007276
"49254"	590.011271	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M-2H+NH4"	16.019271
"488209"	877.007271	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M-2H+NH4"	16.019271
"876713"	303.015271	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-2H+NH4"	16.019271
"44249"	594.966666	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M-2H+Na"	20.974666
"481620"	881.962666	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M-2H+Na"	20.974666
"857237"	307.970666	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-2H+Na"	20.974666
"1623490"	307.970666	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Na-2H"	20.974666
"95521"	303.977063	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M-H+Cl"	33.962126
"534750"	447.475063	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M-H+Cl"	33.962126
"929813"	160.479063	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-H+Cl"	33.962126
"267754"	608.961402	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+Cl"	34.969402
"661151"	895.957402	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+Cl"	34.969402
"1274038"	321.965402	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Cl"	34.969402
"16387"	610.940606	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M-2H+K"	36.948606
"460052"	897.936606	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M-2H+K"	36.948606
"835666"	323.944606	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-2H+K"	36.948606
"1556963"	323.944606	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+K-2H"	36.948606
"943756"	331.994194	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-H+HCOOH"	44.998194
"364156"	618.990201	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+HCOOH-H"	44.998201
"347315"	633.005851	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+Hac-H"	59.013851
"1500525"	346.009851	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Hac-H"	59.013851
"959557"	353.976151	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-H+NaCOOH"	66.980151
"111133"	321.965402	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+2Cl"	69.938804
"552156"	465.463402	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+2Cl"	69.938804
"1023872"	178.467402	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2Cl"	69.938804
"1243085"	365.914885	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Br"	78.918885
"1306627"	367.970872	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Cl+HCOOH"	80.974872
"1320846"	389.952829	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Cl+NaCOOH"	102.956829
"919566"	399.981586	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M-H+CF3COOH"	112.985586
"1299556"	435.958264	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Cl+CF3COOH"	148.962264
"1378812"	251.983324	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H-2H2O"	-35.012676
"1386465"	269.9933	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H-H2O"	-17.0027
"291623"	574.999276	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+H"	1.007276
"679668"	861.995276	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+H"	1.007276
"1354923"	288.003276	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H"	1.007276
"128175"	288.003276	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+2H"	2.014552
"567372"	431.501276	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+2H"	2.014552
"1037548"	144.505276	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2H"	2.014552
"205528"	192.337942666667	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+3H"	3.021828
"649103"	288.003276	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+3H"	3.021828
"1163097"	96.6726093333333	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+3H"	3.021828
"424501"	592.025823	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+NH4"	18.033823
"789308"	879.021823	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+NH4"	18.033823
"1682234"	305.029823	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+NH4"	18.033823
"330758"	296.5165495	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+H+NH4"	19.041099
"723906"	440.0145495	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+H+NH4"	19.041099
"1484542"	153.0185495	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H+NH4"	19.041099
"401035"	596.981218	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+Na"	22.989218
"763124"	883.977218	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+Na"	22.989218
"1614506"	309.985218	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Na"	22.989218
"329527"	298.994247	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+H+Na"	23.996494
"721217"	442.492247	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+H+Na"	23.996494
"1470799"	155.496247	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H+Na"	23.996494
"1061858"	103.999923333333	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2H+Na"	25.00377
"1262805"	320.029486	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+CH3OH+H"	33.033486
"387577"	612.955158	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+K"	38.963158
"746386"	899.951158	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+K"	38.963158
"1547345"	325.959158	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+K"	38.963158
"311810"	306.981217	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+H+K"	39.970434
"704242"	450.479217	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+H+K"	39.970434
"1459518"	163.483217	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H+K"	39.970434
"250673"	616.025826	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+ACN+H"	42.033826
"1224718"	329.029826	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+ACN+H"	42.033826
"1208482"	165.018551	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+ACN+2H"	43.041102
"203661"	618.96316	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+2Na-H"	44.97116
"643460"	905.95916	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+2Na-H"	44.97116
"1144653"	331.96716	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2Na-H"	44.97116
"179558"	309.985218	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+2Na"	45.978436
"618024"	453.483218	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+2Na"	45.978436
"1130292"	166.487218	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2Na"	45.978436
"1412958"	111.327237333333	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H+2Na"	46.985712
"1445083"	334.008746	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H+HCOOH"	47.012746
"232824"	315.01824	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+3H2O+2H"	56.04448
"1523568"	348.06079	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+IsoProp+H"	61.06479
"422762"	317.972188	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+Na+K"	61.952376
"783634"	461.470188	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+Na+K"	61.952376
"1680452"	174.474188	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Na+K"	61.952376
"266490"	638.007768	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+ACN+Na"	64.015768
"1240292"	351.011768	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+ACN+Na"	64.015768
"1727485"	351.035293	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+NH4+HCOOH"	64.039293
"1193079"	118.654551333333	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+3Na"	68.967654
"1663697"	355.990688	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Na+HCOOH"	68.994688
"168728"	650.91104	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+2K-H"	76.91904
"608288"	937.90704	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+2K-H"	76.91904
"1093893"	363.91504	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2K-H"	76.91904
"152897"	325.959158	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"2M+2K"	77.926316
"591365"	469.457158	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"3M+2K"	77.926316
"1075878"	182.461158	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2K"	77.926316
"1113106"	365.929592	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2K+H"	78.933592
"1347303"	366.017207	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+DMSO+H"	79.021207
"1018020"	370.056376	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2ACN+H"	83.060376
"1536145"	371.050008	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+IsoProp+Na+H"	84.054008
"998580"	185.531826	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+2ACN+2H"	84.067652
"1599284"	371.964628	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+K+HCOOH"	84.968628
"1427492"	401.996138	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+H+CF3COOH"	115.000138
"1151218"	206.045101	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+3ACN+2H"	125.094202
"1709521"	419.022685	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+NH4+CF3COOH"	132.026685
"1646995"	423.97808	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+Na+CF3COOH"	136.98208
"1579729"	439.95202	"C21069"	"5-(Aminomethyl)furan-3-ylmethyl diphosphate;5-(Aminomethyl)-3-furanmethanol diphosphate"	"C6H11NO8P2"	"286.996"	"M+K+CF3COOH"	152.95602
"806816"	375.1794	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M"	0
"980348"	356.16101	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-H2O-H"	-19.01839
"67496"	249.112324	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M-3H"	-3.021828
"507055"	374.172124	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M-3H"	-3.021828
"884854"	124.052524	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-3H"	-3.021828
"8900"	374.172124	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M-2H"	-2.014552
"444087"	561.761824	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M-2H"	-2.014552
"818976"	186.582424	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-2H"	-2.014552
"81153"	749.351524	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M-H"	-1.007276
"519864"	1124.530924	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M-H"	-1.007276
"899243"	374.172124	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-H"	-1.007276
"50336"	766.378071	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M-2H+NH4"	16.019271
"489901"	1141.557471	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M-2H+NH4"	16.019271
"873174"	391.198671	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-2H+NH4"	16.019271
"36702"	771.333466	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M-2H+Na"	20.974666
"472248"	1146.512866	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M-2H+Na"	20.974666
"858076"	396.154066	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-2H+Na"	20.974666
"1623600"	396.154066	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Na-2H"	20.974666
"97211"	392.160463	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M-H+Cl"	33.962126
"537499"	579.750163	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M-H+Cl"	33.962126
"932109"	204.570763	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-H+Cl"	33.962126
"269206"	785.328202	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+Cl"	34.969402
"660898"	1160.507602	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+Cl"	34.969402
"1273668"	410.148802	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Cl"	34.969402
"16099"	787.307406	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M-2H+K"	36.948606
"461255"	1162.486806	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M-2H+K"	36.948606
"835411"	412.128006	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-2H+K"	36.948606
"1559262"	412.128006	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+K-2H"	36.948606
"948967"	420.177594	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-H+HCOOH"	44.998194
"362806"	795.357001	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+HCOOH-H"	44.998201
"346083"	809.372651	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+Hac-H"	59.013851
"1494068"	434.193251	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Hac-H"	59.013851
"961248"	442.159551	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-H+NaCOOH"	66.980151
"110640"	410.148802	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+2Cl"	69.938804
"551901"	597.738502	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+2Cl"	69.938804
"1024712"	222.559102	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2Cl"	69.938804
"1243560"	454.098285	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Br"	78.918885
"1305645"	456.154272	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Cl+HCOOH"	80.974872
"1321320"	478.136229	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Cl+NaCOOH"	102.956829
"913478"	488.164986	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M-H+CF3COOH"	112.985586
"1291281"	524.141664	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Cl+CF3COOH"	148.962264
"1377831"	340.166724	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H-2H2O"	-35.012676
"1393139"	358.1767	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H-H2O"	-17.0027
"288453"	751.366076	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+H"	1.007276
"681968"	1126.545476	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+H"	1.007276
"1353940"	376.186676	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H"	1.007276
"127923"	376.186676	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+2H"	2.014552
"567847"	563.776376	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+2H"	2.014552
"1038590"	188.596976	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2H"	2.014552
"205030"	251.126876	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+3H"	3.021828
"647026"	376.186676	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+3H"	3.021828
"1164059"	126.067076	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+3H"	3.021828
"424408"	768.392623	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+NH4"	18.033823
"788325"	1143.572023	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+NH4"	18.033823
"1682470"	393.213223	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+NH4"	18.033823
"331109"	384.6999495	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+H+NH4"	19.041099
"724261"	572.2896495	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+H+NH4"	19.041099
"1483559"	197.1102495	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H+NH4"	19.041099
"400058"	773.348018	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+Na"	22.989218
"765426"	1148.527418	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+Na"	22.989218
"1614260"	398.168618	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Na"	22.989218
"324659"	387.177647	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+H+Na"	23.996494
"718174"	574.767347	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+H+Na"	23.996494
"1464345"	199.587947	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H+Na"	23.996494
"1059782"	133.39439	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2H+Na"	25.00377
"1265832"	408.212886	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+CH3OH+H"	33.033486
"386594"	789.321958	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+K"	38.963158
"749778"	1164.501358	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+K"	38.963158
"1551829"	414.142558	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+K"	38.963158
"311924"	395.164617	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+H+K"	39.970434
"701432"	582.754317	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+H+K"	39.970434
"1459624"	207.574917	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H+K"	39.970434
"250050"	792.392626	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+ACN+H"	42.033826
"1224946"	417.213226	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+ACN+H"	42.033826
"1209073"	209.110251	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+ACN+2H"	43.041102
"204006"	795.32996	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+2Na-H"	44.97116
"637974"	1170.50936	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+2Na-H"	44.97116
"1139660"	420.15056	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2Na-H"	44.97116
"179668"	398.168618	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+2Na"	45.978436
"618134"	585.758318	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+2Na"	45.978436
"1130886"	210.578918	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2Na"	45.978436
"1412823"	140.721704	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H+2Na"	46.985712
"1444944"	422.192146	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H+HCOOH"	47.012746
"234269"	403.20164	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+3H2O+2H"	56.04448
"1519415"	436.24419	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+IsoProp+H"	61.06479
"415822"	406.155588	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+Na+K"	61.952376
"773533"	593.745288	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+Na+K"	61.952376
"1680439"	218.565888	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Na+K"	61.952376
"266847"	814.374568	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+ACN+Na"	64.015768
"1241009"	439.195168	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+ACN+Na"	64.015768
"1726741"	439.218693	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+NH4+HCOOH"	64.039293
"1193310"	148.049018	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+3Na"	68.967654
"1664171"	444.174088	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Na+HCOOH"	68.994688
"171026"	827.27784	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+2K-H"	76.91904
"610585"	1202.45724	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+2K-H"	76.91904
"1096191"	452.09844	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2K-H"	76.91904
"153007"	414.142558	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"2M+2K"	77.926316
"591475"	601.732258	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"3M+2K"	77.926316
"1078175"	226.552858	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2K"	77.926316
"1112122"	454.112992	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2K+H"	78.933592
"1347413"	454.200607	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+DMSO+H"	79.021207
"1017766"	458.239776	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2ACN+H"	83.060376
"1536255"	459.233408	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+IsoProp+Na+H"	84.054008
"996503"	229.623526	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+2ACN+2H"	84.067652
"1602192"	460.148028	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+K+HCOOH"	84.968628
"1425417"	490.179538	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+H+CF3COOH"	115.000138
"1161055"	250.136801	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+3ACN+2H"	125.094202
"1709631"	507.206085	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+NH4+CF3COOH"	132.026685
"1638721"	512.16148	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+Na+CF3COOH"	136.98208
"1579839"	528.13542	"C21070"	"(4-4-2-(gamma-L-Glutamylamino)ethylphenoxymethylfuran-2-yl)methanamine;4-N-(gamma-L-Glutamyl)-p-(beta-aminoethyl)phenoxymethyl-2-(aminomethyl)furan;APMF-Glu"	"C19H25N3O5"	"375.1794"	"M+K+CF3COOH"	152.95602
"806924"	544.0859	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M"	0
"976079"	525.06751	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-H2O-H"	-19.01839
"68699"	361.716657333333	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M-3H"	-3.021828
"506435"	543.078624	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M-3H"	-3.021828
"883142"	180.354690666667	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-3H"	-3.021828
"6820"	543.078624	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M-2H"	-2.014552
"446380"	815.121574	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M-2H"	-2.014552
"819450"	271.035674	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-2H"	-2.014552
"81990"	1087.164524	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M-H"	-1.007276
"519489"	1631.250424	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M-H"	-1.007276
"899353"	543.078624	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-H"	-1.007276
"48989"	1104.191071	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M-2H+NH4"	16.019271
"487945"	1648.276971	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M-2H+NH4"	16.019271
"870004"	560.105171	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-2H+NH4"	16.019271
"32436"	1109.146466	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M-2H+Na"	20.974666
"471786"	1653.232366	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M-2H+Na"	20.974666
"849802"	565.060566	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-2H+Na"	20.974666
"1621888"	565.060566	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Na-2H"	20.974666
"96593"	561.066963	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M-H+Cl"	33.962126
"538703"	833.109913	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M-H+Cl"	33.962126
"930030"	289.024013	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-H+Cl"	33.962126
"268951"	1123.141202	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+Cl"	34.969402
"661738"	1667.227102	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+Cl"	34.969402
"1273088"	579.055302	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Cl"	34.969402
"16333"	1125.120406	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M-2H+K"	36.948606
"456261"	1669.206306	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M-2H+K"	36.948606
"835518"	581.034506	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-2H+K"	36.948606
"1557185"	581.034506	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+K-2H"	36.948606
"946886"	589.084094	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-H+HCOOH"	44.998194
"361523"	1133.170001	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+HCOOH-H"	44.998201
"346438"	1147.185651	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+Hac-H"	59.013851
"1493449"	603.099751	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Hac-H"	59.013851
"965371"	611.066051	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-H+NaCOOH"	66.980151
"111722"	579.055302	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+2Cl"	69.938804
"553106"	851.098252	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+2Cl"	69.938804
"1024822"	307.012352	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2Cl"	69.938804
"1242576"	623.004785	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Br"	78.918885
"1305389"	625.060772	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Cl+HCOOH"	80.974872
"1320702"	647.042729	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Cl+NaCOOH"	102.956829
"913225"	657.071486	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M-H+CF3COOH"	112.985586
"1291027"	693.048164	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Cl+CF3COOH"	148.962264
"1381221"	509.073224	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H-2H2O"	-35.012676
"1395436"	527.0832	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H-H2O"	-17.0027
"291841"	1089.179076	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+H"	1.007276
"688276"	1633.264976	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+H"	1.007276
"1358427"	545.093176	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H"	1.007276
"131314"	545.093176	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+2H"	2.014552
"569779"	817.136126	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+2H"	2.014552
"1040767"	273.050226	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2H"	2.014552
"205749"	363.731209333333	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+3H"	3.021828
"650418"	545.093176	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+3H"	3.021828
"1165262"	182.369242666667	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+3H"	3.021828
"426346"	1106.205623	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+NH4"	18.033823
"788435"	1650.291523	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+NH4"	18.033823
"1684766"	562.119723	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+NH4"	18.033823
"330856"	553.6064495	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+H+NH4"	19.041099
"723193"	825.6493995	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+H+NH4"	19.041099
"1486949"	281.5634995	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H+NH4"	19.041099
"403448"	1111.161018	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+Na"	22.989218
"761162"	1655.246918	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+Na"	22.989218
"1614731"	567.075118	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Na"	22.989218
"324768"	556.084147	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+H+Na"	23.996494
"721199"	828.127097	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+H+Na"	23.996494
"1467736"	284.041197	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H+Na"	23.996494
"1059893"	189.696556666667	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2H+Na"	25.00377
"1263756"	577.119386	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+CH3OH+H"	33.033486
"385611"	1127.134958	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+K"	38.963158
"749889"	1671.220858	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+K"	38.963158
"1553764"	583.049058	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+K"	38.963158
"313735"	564.071117	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+H+K"	39.970434
"703728"	836.114067	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+H+K"	39.970434
"1459007"	292.028167	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H+K"	39.970434
"251372"	1130.205626	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+ACN+H"	42.033826
"1225137"	586.119726	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+ACN+H"	42.033826
"1209547"	293.563501	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+ACN+2H"	43.041102
"204164"	1133.14296	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+2Na-H"	44.97116
"643553"	1677.22886	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+2Na-H"	44.97116
"1139770"	589.05706	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2Na-H"	44.97116
"181601"	567.075118	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+2Na"	45.978436
"618244"	839.118068	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+2Na"	45.978436
"1131239"	295.032168	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2Na"	45.978436
"1413800"	197.023870666667	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H+2Na"	46.985712
"1445388"	591.098646	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H+HCOOH"	47.012746
"234379"	572.10814	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+3H2O+2H"	56.04448
"1522441"	605.15069	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+IsoProp+H"	61.06479
"422492"	575.062088	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+Na+K"	61.952376
"777653"	847.105038	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+Na+K"	61.952376
"1681067"	303.019138	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Na+K"	61.952376
"267007"	1152.187568	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+ACN+Na"	64.015768
"1240506"	608.101668	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+ACN+Na"	64.015768
"1726838"	608.125193	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+NH4+HCOOH"	64.039293
"1193613"	204.351184666667	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+3Na"	68.967654
"1659898"	613.080588	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Na+HCOOH"	68.994688
"171500"	1165.09084	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+2K-H"	76.91904
"611790"	1709.17674	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+2K-H"	76.91904
"1098974"	621.00494	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2K-H"	76.91904
"153117"	583.049058	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"2M+2K"	77.926316
"586117"	855.092008	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"3M+2K"	77.926316
"1072817"	311.006108	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2K"	77.926316
"1111139"	623.019492	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2K+H"	78.933592
"1346430"	623.107107	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+DMSO+H"	79.021207
"1018241"	627.146276	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2ACN+H"	83.060376
"1534543"	628.139908	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+IsoProp+Na+H"	84.054008
"997706"	314.076776	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+2ACN+2H"	84.067652
"1602562"	629.054528	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+K+HCOOH"	84.968628
"1426624"	659.086038	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+H+CF3COOH"	115.000138
"1162502"	334.590051	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+3ACN+2H"	125.094202
"1711202"	676.112585	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+NH4+CF3COOH"	132.026685
"1647579"	681.06798	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+Na+CF3COOH"	136.98208
"1579949"	697.04192	"C21071"	"dTDP-3-O-methyl-4-oxo-26-dideoxy-L-mannose;dTDP-4-keto-3-O-methyl-26-dideoxy-L-mannose"	"C17H26N2O14P2"	"544.0859"	"M+K+CF3COOH"	152.95602
"807034"	1003.3292	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M"	0
"974610"	984.31081	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H2O-H"	-19.01839
"64432"	667.878857333333	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-3H"	-3.021828
"504357"	1002.321924	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-3H"	-3.021828
"881066"	333.435790666667	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-3H"	-3.021828
"4015"	1002.321924	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H"	-2.014552
"444304"	1503.986524	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H"	-2.014552
"817857"	500.657324	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H"	-2.014552
"79307"	2005.651124	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H"	-1.007276
"518703"	3008.980324	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H"	-1.007276
"896302"	1002.321924	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H"	-1.007276
"47271"	2022.677671	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+NH4"	16.019271
"487563"	3026.006871	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+NH4"	16.019271
"865738"	1019.348471	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+NH4"	16.019271
"36922"	2027.633066	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+Na"	20.974666
"471559"	3030.962266	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+Na"	20.974666
"855380"	1024.303866	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+Na"	20.974666
"1622729"	1024.303866	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na-2H"	20.974666
"96704"	1020.310263	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-H+Cl"	33.962126
"535045"	1521.974863	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-H+Cl"	33.962126
"928683"	518.645663	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+Cl"	33.962126
"268090"	2041.627802	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Cl"	34.969402
"660876"	3044.957002	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Cl"	34.969402
"1272796"	1038.298602	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl"	34.969402
"17904"	2043.607006	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M-2H+K"	36.948606
"461111"	3046.936206	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M-2H+K"	36.948606
"834537"	1040.277806	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-2H+K"	36.948606
"1555707"	1040.277806	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K-2H"	36.948606
"943353"	1048.327394	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+HCOOH"	44.998194
"365218"	2051.656601	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+HCOOH-H"	44.998201
"346549"	2065.672251	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Hac-H"	59.013851
"1493924"	1062.343051	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Hac-H"	59.013851
"965482"	1070.309351	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+NaCOOH"	66.980151
"113295"	1038.298602	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Cl"	69.938804
"553216"	1539.963202	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Cl"	69.938804
"1023107"	536.634002	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Cl"	69.938804
"1243780"	1082.248085	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Br"	78.918885
"1305621"	1084.304072	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+HCOOH"	80.974872
"1320686"	1106.286029	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+NaCOOH"	102.956829
"912601"	1116.314786	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M-H+CF3COOH"	112.985586
"1290041"	1152.291464	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Cl+CF3COOH"	148.962264
"1376957"	968.316524	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-2H2O"	-35.012676
"1390079"	986.3265	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H-H2O"	-17.0027
"286484"	2007.665676	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H"	1.007276
"676717"	3010.994876	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H"	1.007276
"1355256"	1004.336476	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H"	1.007276
"132517"	1004.336476	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2H"	2.014552
"566000"	1506.001076	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2H"	2.014552
"1037119"	502.671876	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H"	2.014552
"205246"	669.893409333333	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H"	3.021828
"650528"	1004.336476	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+3H"	3.021828
"1166465"	335.450342666667	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3H"	3.021828
"425727"	2024.692223	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+NH4"	18.033823
"787451"	3028.021423	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+NH4"	18.033823
"1684875"	1021.363023	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4"	18.033823
"331087"	1012.8497495	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+NH4"	19.041099
"723217"	1514.5143495	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+NH4"	19.041099
"1482679"	511.1851495	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+NH4"	19.041099
"402462"	2029.647618	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na"	22.989218
"764549"	3032.976818	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na"	22.989218
"1614841"	1026.318418	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na"	22.989218
"324878"	1015.327447	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+Na"	23.996494
"719485"	1516.992047	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+Na"	23.996494
"1465659"	513.662847	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+Na"	23.996494
"1059998"	342.777656666667	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2H+Na"	25.00377
"1262771"	1036.362686	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+CH3OH+H"	33.033486
"381347"	2045.621558	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+K"	38.963158
"742342"	3048.950758	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+K"	38.963158
"1552048"	1042.292358	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K"	38.963158
"312504"	1023.314417	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+H+K"	39.970434
"704927"	1524.979017	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+H+K"	39.970434
"1457654"	521.649817	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+K"	39.970434
"250634"	2048.692226	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+H"	42.033826
"1221517"	1045.363026	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+H"	42.033826
"1208317"	523.185151	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+2H"	43.041102
"200093"	2051.62956	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na-H"	44.97116
"639287"	3054.95876	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na-H"	44.97116
"1142067"	1048.30036	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na-H"	44.97116
"183168"	1026.318418	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2Na"	45.978436
"619447"	1527.983018	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2Na"	45.978436
"1131145"	524.653818	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2Na"	45.978436
"1414138"	350.104970666667	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+2Na"	46.985712
"1445160"	1050.341946	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+HCOOH"	47.012746
"234489"	1031.35144	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+3H2O+2H"	56.04448
"1520728"	1064.39399	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+H"	61.06479
"421873"	1034.305388	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+Na+K"	61.952376
"777034"	1535.969988	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+Na+K"	61.952376
"1680987"	532.640788	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+K"	61.952376
"266088"	2070.674168	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+ACN+Na"	64.015768
"1239159"	1067.344968	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+ACN+Na"	64.015768
"1726948"	1067.368493	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+HCOOH"	64.039293
"1192305"	357.432284666667	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3Na"	68.967654
"1660008"	1072.323888	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+HCOOH"	68.994688
"169787"	2083.57744	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K-H"	76.91904
"608986"	3086.90664	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K-H"	76.91904
"1097141"	1080.24824	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K-H"	76.91904
"151041"	1042.292358	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"2M+2K"	77.926316
"584039"	1543.956958	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"3M+2K"	77.926316
"1072927"	540.627758	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K"	77.926316
"1111249"	1082.262792	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2K+H"	78.933592
"1345447"	1082.350407	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+DMSO+H"	79.021207
"1016528"	1086.389576	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+H"	83.060376
"1533559"	1087.383208	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+IsoProp+Na+H"	84.054008
"998909"	543.698426	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+2ACN+2H"	84.067652
"1602498"	1088.297828	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+HCOOH"	84.968628
"1428920"	1118.329338	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+H+CF3COOH"	115.000138
"1162249"	564.211701	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+3ACN+2H"	125.094202
"1709853"	1135.355885	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+NH4+CF3COOH"	132.026685
"1647689"	1140.31128	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+Na+CF3COOH"	136.98208
"1580058"	1156.28522	"C21072"	"Palmitoleoyl-CoA;(9Z)-Hexadec-9-enoyl-CoA"	"C37H64N7O17P3S"	"1003.3292"	"M+K+CF3COOH"	152.95602
"807144"	557.1176	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M"	0
"976300"	538.09921	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-H2O-H"	-19.01839
"67820"	370.404457333333	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M-3H"	-3.021828
"505194"	556.110324	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M-3H"	-3.021828
"882996"	184.698590666667	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-3H"	-3.021828
"3760"	556.110324	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M-2H"	-2.014552
"444414"	834.669124	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M-2H"	-2.014552
"819305"	277.551524	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-2H"	-2.014552
"83306"	1113.227924	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M-H"	-1.007276
"521774"	1670.345524	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M-H"	-1.007276
"899572"	556.110324	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-H"	-1.007276
"50667"	1130.254471	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M-2H+NH4"	16.019271
"489254"	1687.372071	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M-2H+NH4"	16.019271
"865111"	573.136871	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-2H+NH4"	16.019271
"32522"	1135.209866	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M-2H+Na"	20.974666
"471884"	1692.327466	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M-2H+Na"	20.974666
"855490"	578.092266	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-2H+Na"	20.974666
"1623203"	578.092266	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Na-2H"	20.974666
"97907"	574.098663	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M-H+Cl"	33.962126
"537101"	852.657463	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M-H+Cl"	33.962126
"928792"	295.539863	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-H+Cl"	33.962126
"269538"	1149.204602	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+Cl"	34.969402
"664146"	1706.322202	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+Cl"	34.969402
"1273389"	592.087002	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Cl"	34.969402
"19836"	1151.183806	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M-2H+K"	36.948606
"461950"	1708.301406	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M-2H+K"	36.948606
"838291"	594.066206	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-2H+K"	36.948606
"1559592"	594.066206	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+K-2H"	36.948606
"946380"	602.115794	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-H+HCOOH"	44.998194
"366785"	1159.233401	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+HCOOH-H"	44.998201
"348116"	1173.249051	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+Hac-H"	59.013851
"1495855"	616.131451	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Hac-H"	59.013851
"961218"	624.097751	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-H+NaCOOH"	66.980151
"113403"	592.087002	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+2Cl"	69.938804
"554785"	870.645802	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+2Cl"	69.938804
"1023946"	313.528202	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2Cl"	69.938804
"1245349"	636.036485	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Br"	78.918885
"1308160"	638.092472	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Cl+HCOOH"	80.974872
"1320920"	660.074429	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Cl+NaCOOH"	102.956829
"913075"	670.103186	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M-H+CF3COOH"	112.985586
"1291608"	706.079864	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Cl+CF3COOH"	148.962264
"1379254"	522.104924	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H-2H2O"	-35.012676
"1390189"	540.1149	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H-H2O"	-17.0027
"286593"	1115.242476	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+H"	1.007276
"677919"	1672.360076	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+H"	1.007276
"1357553"	558.124876	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H"	1.007276
"133721"	558.124876	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+2H"	2.014552
"568907"	836.683676	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+2H"	2.014552
"1040624"	279.566076	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2H"	2.014552
"207068"	372.419009333333	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+3H"	3.021828
"648816"	558.124876	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+3H"	3.021828
"1167668"	186.713142666667	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+3H"	3.021828
"427659"	1132.269023	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+NH4"	18.033823
"789018"	1689.386623	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+NH4"	18.033823
"1685349"	575.151423	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+NH4"	18.033823
"332895"	566.6381495	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+H+NH4"	19.041099
"723489"	845.1969495	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+H+NH4"	19.041099
"1479142"	288.0793495	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H+NH4"	19.041099
"397462"	1137.224418	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+Na"	22.989218
"758096"	1694.342018	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+Na"	22.989218
"1612764"	580.106818	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Na"	22.989218
"326807"	569.115847	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+H+Na"	23.996494
"720323"	847.674647	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+H+Na"	23.996494
"1473057"	290.557047	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H+Na"	23.996494
"1061203"	194.040456666667	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2H+Na"	25.00377
"1266160"	590.151086	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+CH3OH+H"	33.033486
"387653"	1153.198358	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+K"	38.963158
"749012"	1710.315958	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+K"	38.963158
"1552767"	596.080758	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+K"	38.963158
"313224"	577.102817	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+H+K"	39.970434
"706621"	855.661617	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+H+K"	39.970434
"1460685"	298.544017	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H+K"	39.970434
"250746"	1156.269026	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+ACN+H"	42.033826
"1224425"	599.151426	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+ACN+H"	42.033826
"1206969"	300.079351	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+ACN+2H"	43.041102
"200204"	1159.20636	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+2Na-H"	44.97116
"643171"	1716.32396	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+2Na-H"	44.97116
"1139989"	602.08876	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2Na-H"	44.97116
"183279"	580.106818	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+2Na"	45.978436
"617372"	858.665618	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+2Na"	45.978436
"1130000"	301.548018	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2Na"	45.978436
"1413161"	201.367770666667	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H+2Na"	46.985712
"1441263"	604.130346	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H+HCOOH"	47.012746
"232049"	585.13984	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+3H2O+2H"	56.04448
"1520475"	618.18239	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+IsoProp+H"	61.06479
"419432"	588.093788	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+Na+K"	61.952376
"783709"	866.652588	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+Na+K"	61.952376
"1679679"	309.534988	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Na+K"	61.952376
"264740"	1178.250968	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+ACN+Na"	64.015768
"1236718"	621.133368	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+ACN+Na"	64.015768
"1726701"	621.156893	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+NH4+HCOOH"	64.039293
"1192057"	208.695084666667	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+3Na"	68.967654
"1663772"	626.112288	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Na+HCOOH"	68.994688
"169176"	1191.15424	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+2K-H"	76.91904
"608002"	1748.27184	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+2K-H"	76.91904
"1091057"	634.03664	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2K-H"	76.91904
"144591"	596.080758	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"2M+2K"	77.926316
"587428"	874.639558	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"3M+2K"	77.926316
"1073033"	317.521958	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2K"	77.926316
"1112453"	636.051192	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2K+H"	78.933592
"1346650"	636.138807	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+DMSO+H"	79.021207
"1016274"	640.177976	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2ACN+H"	83.060376
"1535126"	641.171608	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+IsoProp+Na+H"	84.054008
"997926"	320.592626	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+2ACN+2H"	84.067652
"1602404"	642.086228	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+K+HCOOH"	84.968628
"1427209"	672.117738	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+H+CF3COOH"	115.000138
"1161507"	341.105901	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+3ACN+2H"	125.094202
"1711787"	689.144285	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+NH4+CF3COOH"	132.026685
"1646706"	694.09968	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+Na+CF3COOH"	136.98208
"1580168"	710.07362	"C21073"	"dTDP-3-NN-dimethylamino-236-trideoxy-4-keto-D-glucose;dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-D-glucose"	"C18H29N3O13P2"	"557.1176"	"M+K+CF3COOH"	152.95602
"808347"	557.1176	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M"	0
"975681"	538.09921	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-H2O-H"	-19.01839
"64285"	370.404457333333	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M-3H"	-3.021828
"506763"	556.110324	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M-3H"	-3.021828
"881648"	184.698590666667	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-3H"	-3.021828
"2777"	556.110324	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M-2H"	-2.014552
"446712"	834.669124	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M-2H"	-2.014552
"822332"	277.551524	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-2H"	-2.014552
"85603"	1113.227924	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M-H"	-1.007276
"520791"	1670.345524	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M-H"	-1.007276
"899684"	556.110324	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-H"	-1.007276
"49685"	1130.254471	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M-2H+NH4"	16.019271
"490336"	1687.372071	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M-2H+NH4"	16.019271
"865466"	573.136871	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-2H+NH4"	16.019271
"32517"	1135.209866	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M-2H+Na"	20.974666
"472442"	1692.327466	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M-2H+Na"	20.974666
"855599"	578.092266	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-2H+Na"	20.974666
"1624042"	578.092266	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Na-2H"	20.974666
"95830"	574.098663	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M-H+Cl"	33.962126
"536847"	852.657463	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M-H+Cl"	33.962126
"932913"	295.539863	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-H+Cl"	33.962126
"271470"	1149.204602	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+Cl"	34.969402
"665350"	1706.322202	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+Cl"	34.969402
"1276294"	592.087002	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Cl"	34.969402
"23591"	1151.183806	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M-2H+K"	36.948606
"461332"	1708.301406	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M-2H+K"	36.948606
"838401"	594.066206	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-2H+K"	36.948606
"1557515"	594.066206	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+K-2H"	36.948606
"946490"	602.115794	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-H+HCOOH"	44.998194
"366896"	1159.233401	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+HCOOH-H"	44.998201
"348227"	1173.249051	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+Hac-H"	59.013851
"1494263"	616.131451	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Hac-H"	59.013851
"963515"	624.097751	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-H+NaCOOH"	66.980151
"113516"	592.087002	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+2Cl"	69.938804
"554167"	870.645802	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+2Cl"	69.938804
"1026976"	313.528202	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2Cl"	69.938804
"1245099"	636.036485	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Br"	78.918885
"1309367"	638.092472	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Cl+HCOOH"	80.974872
"1321031"	660.074429	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Cl+NaCOOH"	102.956829
"912213"	670.103186	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M-H+CF3COOH"	112.985586
"1291719"	706.079864	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Cl+CF3COOH"	148.962264
"1377176"	522.104924	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H-2H2O"	-35.012676
"1392485"	540.1149	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H-H2O"	-17.0027
"286702"	1115.242476	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+H"	1.007276
"678392"	1672.360076	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+H"	1.007276
"1358756"	558.124876	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H"	1.007276
"132737"	558.124876	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+2H"	2.014552
"570110"	836.683676	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+2H"	2.014552
"1041099"	279.566076	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2H"	2.014552
"208271"	372.419009333333	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+3H"	3.021828
"647832"	558.124876	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+3H"	3.021828
"1167778"	186.713142666667	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+3H"	3.021828
"428862"	1132.269023	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+NH4"	18.033823
"788035"	1689.386623	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+NH4"	18.033823
"1684366"	575.151423	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+NH4"	18.033823
"330576"	566.6381495	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+H+NH4"	19.041099
"723843"	845.1969495	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+H+NH4"	19.041099
"1479616"	288.0793495	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H+NH4"	19.041099
"398301"	1137.224418	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+Na"	22.989218
"761483"	1694.342018	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+Na"	22.989218
"1612874"	580.106818	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Na"	22.989218
"322910"	569.115847	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+H+Na"	23.996494
"719705"	847.674647	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+H+Na"	23.996494
"1473533"	290.557047	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H+Na"	23.996494
"1065323"	194.040456666667	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2H+Na"	25.00377
"1268824"	590.151086	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+CH3OH+H"	33.033486
"389950"	1153.198358	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+K"	38.963158
"749854"	1710.315958	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+K"	38.963158
"1553728"	596.080758	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+K"	38.963158
"312361"	577.102817	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+H+K"	39.970434
"706611"	855.661617	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+H+K"	39.970434
"1460796"	298.544017	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H+K"	39.970434
"250614"	1156.269026	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+ACN+H"	42.033826
"1224292"	599.151426	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+ACN+H"	42.033826
"1204163"	300.079351	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+ACN+2H"	43.041102
"199221"	1159.20636	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+2Na-H"	44.97116
"643157"	1716.32396	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+2Na-H"	44.97116
"1141192"	602.08876	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2Na-H"	44.97116
"180109"	580.106818	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+2Na"	45.978436
"618575"	858.665618	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+2Na"	45.978436
"1128652"	301.548018	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2Na"	45.978436
"1412905"	201.367770666667	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H+2Na"	46.985712
"1441373"	604.130346	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H+HCOOH"	47.012746
"232526"	585.13984	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+3H2O+2H"	56.04448
"1515480"	618.18239	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+IsoProp+H"	61.06479
"418449"	588.093788	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+Na+K"	61.952376
"782726"	866.652588	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+Na+K"	61.952376
"1678331"	309.534988	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Na+K"	61.952376
"263392"	1178.250968	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+ACN+Na"	64.015768
"1236829"	621.133368	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+ACN+Na"	64.015768
"1723894"	621.156893	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+NH4+HCOOH"	64.039293
"1191801"	208.695084666667	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+3Na"	68.967654
"1664977"	626.112288	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Na+HCOOH"	68.994688
"169650"	1191.15424	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+2K-H"	76.91904
"607018"	1748.27184	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+2K-H"	76.91904
"1091167"	634.03664	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2K-H"	76.91904
"145795"	596.080758	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"2M+2K"	77.926316
"585352"	874.639558	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"3M+2K"	77.926316
"1073143"	317.521958	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2K"	77.926316
"1110011"	636.051192	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2K+H"	78.933592
"1346760"	636.138807	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+DMSO+H"	79.021207
"1018206"	640.177976	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2ACN+H"	83.060376
"1534507"	641.171608	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+IsoProp+Na+H"	84.054008
"998036"	320.592626	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+2ACN+2H"	84.067652
"1596919"	642.086228	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+K+HCOOH"	84.968628
"1425861"	672.117738	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+H+CF3COOH"	115.000138
"1158336"	341.105901	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+3ACN+2H"	125.094202
"1710438"	689.144285	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+NH4+CF3COOH"	132.026685
"1647909"	694.09968	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+Na+CF3COOH"	136.98208
"1576998"	710.07362	"C21074"	"dTDP-3-NN-dimethylamino-4-oxo-236-trideoxy-L-allose;dTDP-3-NN-dimethylamino-4-keto-236-trideoxy-L-allose"	"C18H29N3O13P2"	"557.1176"	"M+K+CF3COOH"	152.95602
"807364"	176.095	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M"	0
"981988"	157.07661	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-H2O-H"	-19.01839
"70230"	116.389390666667	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M-3H"	-3.021828
"509789"	175.087724	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M-3H"	-3.021828
"884310"	57.6910573333333	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-3H"	-3.021828
"6168"	175.087724	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M-2H"	-2.014552
"447916"	263.135224	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M-2H"	-2.014552
"823535"	87.040224	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-2H"	-2.014552
"84620"	351.182724	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M-H"	-1.007276
"523088"	527.277724	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M-H"	-1.007276
"898700"	175.087724	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-H"	-1.007276
"49794"	368.209271	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M-2H+NH4"	16.019271
"489354"	544.304271	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M-2H+NH4"	16.019271
"865456"	192.114271	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-2H+NH4"	16.019271
"32019"	373.164666	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M-2H+Na"	20.974666
"472673"	549.259666	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M-2H+Na"	20.974666
"858989"	197.069666	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-2H+Na"	20.974666
"1624152"	197.069666	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Na-2H"	20.974666
"100678"	193.076063	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M-H+Cl"	33.962126
"536957"	281.123563	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M-H+Cl"	33.962126
"930836"	105.028563	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-H+Cl"	33.962126
"272309"	387.159402	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+Cl"	34.969402
"668012"	563.254402	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+Cl"	34.969402
"1277497"	211.064402	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Cl"	34.969402
"22973"	389.138606	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M-2H+K"	36.948606
"461442"	565.233606	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M-2H+K"	36.948606
"838149"	213.043606	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-2H+K"	36.948606
"1559448"	213.043606	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+K-2H"	36.948606
"945141"	221.093194	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-H+HCOOH"	44.998194
"365548"	397.188201	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+HCOOH-H"	44.998201
"350527"	411.203851	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+Hac-H"	59.013851
"1494372"	235.108851	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Hac-H"	59.013851
"963625"	243.075151	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-H+NaCOOH"	66.980151
"118729"	211.064402	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+2Cl"	69.938804
"556466"	299.111902	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+2Cl"	69.938804
"1026359"	123.016902	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2Cl"	69.938804
"1247031"	255.013885	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Br"	78.918885
"1309477"	257.069872	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Cl+HCOOH"	80.974872
"1320777"	279.051829	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Cl+NaCOOH"	102.956829
"911373"	289.080586	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M-H+CF3COOH"	112.985586
"1290737"	325.057264	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Cl+CF3COOH"	148.962264
"1379472"	141.082324	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H-2H2O"	-35.012676
"1391501"	159.0923	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H-H2O"	-17.0027
"285720"	353.197276	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+H"	1.007276
"679232"	529.292276	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+H"	1.007276
"1355584"	177.102276	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H"	1.007276
"130658"	177.102276	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+2H"	2.014552
"567667"	265.149776	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+2H"	2.014552
"1038653"	89.054776	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2H"	2.014552
"210204"	118.403942666667	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+3H"	3.021828
"648669"	177.102276	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+3H"	3.021828
"1163019"	59.7056093333333	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+3H"	3.021828
"427879"	370.223823	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+NH4"	18.033823
"788509"	546.318823	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+NH4"	18.033823
"1684840"	194.128823	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+NH4"	18.033823
"330927"	185.6155495	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+H+NH4"	19.041099
"724805"	273.6630495	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+H+NH4"	19.041099
"1482642"	97.5680495	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H+NH4"	19.041099
"399504"	375.179218	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+Na"	22.989218
"762685"	551.274218	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+Na"	22.989218
"1612982"	199.084218	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Na"	22.989218
"321924"	188.093247	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+H+Na"	23.996494
"712157"	276.140747	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+H+Na"	23.996494
"1475830"	100.045747	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H+Na"	23.996494
"1067905"	67.0329233333333	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2H+Na"	25.00377
"1271974"	209.128486	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+CH3OH+H"	33.033486
"392580"	391.153158	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+K"	38.963158
"753249"	567.248158	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+K"	38.963158
"1554812"	215.058158	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+K"	38.963158
"312471"	196.080217	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+H+K"	39.970434
"706684"	284.127717	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+H+K"	39.970434
"1460747"	108.032717	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H+K"	39.970434
"251403"	394.223826	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+ACN+H"	42.033826
"1224163"	218.128826	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+ACN+H"	42.033826
"1209423"	109.568051	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+ACN+2H"	43.041102
"203830"	397.16116	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+2Na-H"	44.97116
"644057"	573.25616	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+2Na-H"	44.97116
"1146366"	221.06616	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2Na-H"	44.97116
"186415"	199.084218	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+2Na"	45.978436
"624152"	287.131718	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+2Na"	45.978436
"1128034"	111.036718	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2Na"	45.978436
"1411192"	74.3602373333333	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H+2Na"	46.985712
"1442939"	223.107746	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H+HCOOH"	47.012746
"234095"	204.11724	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+3H2O+2H"	56.04448
"1516683"	237.15979	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+IsoProp+H"	61.06479
"422207"	207.071188	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+Na+K"	61.952376
"785500"	295.118688	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+Na+K"	61.952376
"1678803"	119.023688	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Na+K"	61.952376
"264961"	416.205768	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+ACN+Na"	64.015768
"1236940"	240.110768	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+ACN+Na"	64.015768
"1725092"	240.134293	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+NH4+HCOOH"	64.039293
"1192275"	81.6875513333333	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+3Na"	68.967654
"1662534"	245.089688	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Na+HCOOH"	68.994688
"168297"	429.10904	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+2K-H"	76.91904
"608950"	605.20404	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+2K-H"	76.91904
"1093464"	253.01404	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2K-H"	76.91904
"152102"	215.058158	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"2M+2K"	77.926316
"587648"	303.105658	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"3M+2K"	77.926316
"1074347"	127.010658	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2K"	77.926316
"1111578"	255.028592	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2K+H"	78.933592
"1347231"	255.116207	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+DMSO+H"	79.021207
"1017223"	259.155376	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2ACN+H"	83.060376
"1534981"	260.149008	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+IsoProp+Na+H"	84.054008
"998146"	130.081326	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+2ACN+2H"	84.067652
"1597028"	261.063628	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+K+HCOOH"	84.968628
"1425971"	291.095138	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+H+CF3COOH"	115.000138
"1160633"	150.594601	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+3ACN+2H"	125.094202
"1711276"	308.121685	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+NH4+CF3COOH"	132.026685
"1648019"	313.07708	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+Na+CF3COOH"	136.98208
"1580388"	329.05102	"C21075"	"5-(N-Methyl-45-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;6-Hydroxy-N-methylmyosmine"	"C10H12N2O"	"176.095"	"M+K+CF3COOH"	152.95602
"814035"	414.3134	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M"	0
"977726"	395.29501	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-H2O-H"	-19.01839
"63085"	275.201657333333	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M-3H"	-3.021828
"503129"	413.306124	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M-3H"	-3.021828
"885519"	137.097190666667	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-3H"	-3.021828
"4093"	413.306124	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M-2H"	-2.014552
"442560"	620.462824	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M-2H"	-2.014552
"828020"	206.149424	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-2H"	-2.014552
"84730"	827.619524	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M-H"	-1.007276
"529761"	1241.932924	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M-H"	-1.007276
"907196"	413.306124	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-H"	-1.007276
"53187"	844.646071	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M-2H+NH4"	16.019271
"490560"	1258.959471	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M-2H+NH4"	16.019271
"864549"	430.332671	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-2H+NH4"	16.019271
"31501"	849.601466	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M-2H+Na"	20.974666
"471566"	1263.914866	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M-2H+Na"	20.974666
"858005"	435.288066	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-2H+Na"	20.974666
"1629731"	435.288066	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Na-2H"	20.974666
"102978"	431.294463	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M-H+Cl"	33.962126
"543629"	638.451163	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M-H+Cl"	33.962126
"933863"	224.137763	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-H+Cl"	33.962126
"273514"	863.596202	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+Cl"	34.969402
"665938"	1277.909602	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+Cl"	34.969402
"1279434"	449.282802	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Cl"	34.969402
"20898"	865.575406	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M-2H+K"	36.948606
"460459"	1279.888806	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M-2H+K"	36.948606
"839353"	451.262006	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-2H+K"	36.948606
"1562840"	451.262006	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+K-2H"	36.948606
"948535"	459.311594	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-H+HCOOH"	44.998194
"368940"	873.625001	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+HCOOH-H"	44.998201
"350637"	887.640651	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+Hac-H"	59.013851
"1495095"	473.327251	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Hac-H"	59.013851
"963735"	481.293551	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-H+NaCOOH"	66.980151
"115924"	449.282802	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+2Cl"	69.938804
"561681"	656.439502	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+2Cl"	69.938804
"1030844"	242.126102	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2Cl"	69.938804
"1249330"	493.232285	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Br"	78.918885
"1310684"	495.288272	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Cl+HCOOH"	80.974872
"1323804"	517.270229	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Cl+NaCOOH"	102.956829
"911509"	527.298986	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M-H+CF3COOH"	112.985586
"1290847"	563.275664	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Cl+CF3COOH"	148.962264
"1379582"	379.300724	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H-2H2O"	-35.012676
"1391611"	397.3107	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H-H2O"	-17.0027
"286923"	829.634076	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+H"	1.007276
"678613"	1243.947476	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+H"	1.007276
"1356787"	415.320676	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H"	1.007276
"132957"	415.320676	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+2H"	2.014552
"569236"	622.477376	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+2H"	2.014552
"1039127"	208.163976	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2H"	2.014552
"209220"	277.216209333333	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+3H"	3.021828
"647686"	415.320676	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+3H"	3.021828
"1163125"	139.111742666667	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+3H"	3.021828
"427988"	846.660623	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+NH4"	18.033823
"789348"	1260.974023	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+NH4"	18.033823
"1681709"	432.347223	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+NH4"	18.033823
"330184"	423.8339495	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+H+NH4"	19.041099
"723822"	630.9906495	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+H+NH4"	19.041099
"1477200"	216.6772495	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H+NH4"	19.041099
"398156"	851.616018	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+Na"	22.989218
"757325"	1265.929418	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+Na"	22.989218
"1606882"	437.302618	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Na"	22.989218
"317652"	426.311647	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+H+Na"	23.996494
"713351"	633.468347	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+H+Na"	23.996494
"1476587"	219.154947	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H+Na"	23.996494
"1066997"	146.439056666667	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2H+Na"	25.00377
"1267582"	447.346886	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+CH3OH+H"	33.033486
"391266"	867.589958	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+K"	38.963158
"752991"	1281.903358	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+K"	38.963158
"1554675"	453.276558	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+K"	38.963158
"312941"	434.298617	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+H+K"	39.970434
"704280"	641.455317	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+H+K"	39.970434
"1461142"	227.141917	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H+K"	39.970434
"250224"	870.660626	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+ACN+H"	42.033826
"1225165"	456.347226	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+ACN+H"	42.033826
"1209781"	228.677251	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+ACN+2H"	43.041102
"202723"	873.59796	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+2Na-H"	44.97116
"643949"	1287.91136	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+2Na-H"	44.97116
"1144691"	459.28456	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2Na-H"	44.97116
"186525"	437.302618	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+2Na"	45.978436
"624262"	644.459318	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+2Na"	45.978436
"1128869"	230.145918	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2Na"	45.978436
"1410203"	153.766370666667	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H+2Na"	46.985712
"1439038"	461.326146	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H+HCOOH"	47.012746
"232013"	442.33564	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+3H2O+2H"	56.04448
"1514971"	475.37819	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+IsoProp+H"	61.06479
"418666"	445.289588	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+Na+K"	61.952376
"782943"	652.446288	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+Na+K"	61.952376
"1680006"	238.132888	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Na+K"	61.952376
"265435"	892.642568	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+ACN+Na"	64.015768
"1237414"	478.329168	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+ACN+Na"	64.015768
"1725201"	478.352693	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+NH4+HCOOH"	64.039293
"1188737"	161.093684666667	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+3Na"	68.967654
"1661546"	483.308088	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Na+HCOOH"	68.994688
"166218"	905.54584	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+2K-H"	76.91904
"606507"	1319.85924	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+2K-H"	76.91904
"1091384"	491.23244	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2K-H"	76.91904
"150384"	453.276558	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"2M+2K"	77.926316
"584476"	660.433258	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"3M+2K"	77.926316
"1070446"	246.119858	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2K"	77.926316
"1109862"	493.246992	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2K+H"	78.933592
"1344060"	493.334607	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+DMSO+H"	79.021207
"1019151"	497.373776	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2ACN+H"	83.060376
"1536184"	498.367408	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+IsoProp+Na+H"	84.054008
"997163"	249.190526	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+2ACN+2H"	84.067652
"1599324"	499.282028	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+K+HCOOH"	84.968628
"1424987"	529.313538	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+H+CF3COOH"	115.000138
"1159647"	269.703801	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+3ACN+2H"	125.094202
"1704824"	546.340085	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+NH4+CF3COOH"	132.026685
"1639381"	551.29548	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+Na+CF3COOH"	136.98208
"1580499"	567.26942	"C21076"	"Delta4-Dafachronic acid;(25S)26-3-Keto-4-cholestenoic acid;(25S)-Delta4-Dafachronic acid;(25S)-3-Oxocholest-4-en-26-oate"	"C27H42O3"	"414.3134"	"M+K+CF3COOH"	152.95602
"804304"	414.3134	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M"	0
"974920"	395.29501	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-H2O-H"	-19.01839
"63521"	275.201657333333	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M-3H"	-3.021828
"506731"	413.306124	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M-3H"	-3.021828
"885629"	137.097190666667	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-3H"	-3.021828
"2014"	413.306124	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M-2H"	-2.014552
"442668"	620.462824	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M-2H"	-2.014552
"828130"	206.149424	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-2H"	-2.014552
"84840"	827.619524	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M-H"	-1.007276
"531329"	1241.932924	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M-H"	-1.007276
"907306"	413.306124	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-H"	-1.007276
"53297"	844.646071	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M-2H+NH4"	16.019271
"492856"	1258.959471	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M-2H+NH4"	16.019271
"866649"	430.332671	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-2H+NH4"	16.019271
"32363"	849.601466	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M-2H+Na"	20.974666
"471924"	1263.914866	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M-2H+Na"	20.974666
"855929"	435.288066	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-2H+Na"	20.974666
"1628748"	435.288066	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Na-2H"	20.974666
"99808"	431.294463	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M-H+Cl"	33.962126
"539366"	638.451163	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M-H+Cl"	33.962126
"931060"	224.137763	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-H+Cl"	33.962126
"272531"	863.596202	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+Cl"	34.969402
"668235"	1277.909602	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+Cl"	34.969402
"1280639"	449.282802	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Cl"	34.969402
"23197"	865.575406	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M-2H+K"	36.948606
"464945"	1279.888806	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M-2H+K"	36.948606
"838372"	451.262006	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-2H+K"	36.948606
"1564045"	451.262006	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+K-2H"	36.948606
"948646"	459.311594	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-H+HCOOH"	44.998194
"367957"	873.625001	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+HCOOH-H"	44.998201
"350749"	887.640651	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+Hac-H"	59.013851
"1497395"	473.327251	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Hac-H"	59.013851
"967126"	481.293551	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-H+NaCOOH"	66.980151
"121137"	449.282802	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+2Cl"	69.938804
"559969"	656.439502	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+2Cl"	69.938804
"1028768"	242.126102	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2Cl"	69.938804
"1249441"	493.232285	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Br"	78.918885
"1315170"	495.288272	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Cl+HCOOH"	80.974872
"1325010"	517.270229	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Cl+NaCOOH"	102.956829
"911445"	527.298986	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M-H+CF3COOH"	112.985586
"1290593"	563.275664	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Cl+CF3COOH"	148.962264
"1374224"	379.300724	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H-2H2O"	-35.012676
"1390627"	397.3107	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H-H2O"	-17.0027
"291406"	829.634076	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+H"	1.007276
"679452"	1243.947476	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+H"	1.007276
"1353250"	415.320676	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H"	1.007276
"130878"	415.320676	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+2H"	2.014552
"569346"	622.477376	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+2H"	2.014552
"1041427"	208.163976	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2H"	2.014552
"210424"	277.216209333333	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+3H"	3.021828
"648889"	415.320676	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+3H"	3.021828
"1166284"	139.111742666667	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+3H"	3.021828
"428464"	846.660623	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+NH4"	18.033823
"790187"	1260.974023	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+NH4"	18.033823
"1682872"	432.347223	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+NH4"	18.033823
"331877"	423.8339495	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+H+NH4"	19.041099
"723446"	630.9906495	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+H+NH4"	19.041099
"1477390"	216.6772495	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H+NH4"	19.041099
"400817"	851.616018	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+Na"	22.989218
"757435"	1265.929418	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+Na"	22.989218
"1607356"	437.302618	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Na"	22.989218
"318852"	426.311647	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+H+Na"	23.996494
"713461"	633.468347	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+H+Na"	23.996494
"1476048"	219.154947	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H+Na"	23.996494
"1063827"	146.439056666667	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2H+Na"	25.00377
"1267692"	447.346886	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+CH3OH+H"	33.033486
"391013"	867.589958	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+K"	38.963158
"752008"	1281.903358	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+K"	38.963158
"1555150"	453.276558	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+K"	38.963158
"313780"	434.298617	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+H+K"	39.970434
"703659"	641.455317	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+H+K"	39.970434
"1460398"	227.141917	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H+K"	39.970434
"250213"	870.660626	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+ACN+H"	42.033826
"1225275"	456.347226	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+ACN+H"	42.033826
"1207777"	228.677251	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+ACN+2H"	43.041102
"202105"	873.59796	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+2Na-H"	44.97116
"642759"	1287.91136	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+2Na-H"	44.97116
"1144802"	459.28456	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2Na-H"	44.97116
"186761"	437.302618	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+2Na"	45.978436
"624372"	644.459318	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+2Na"	45.978436
"1128615"	230.145918	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2Na"	45.978436
"1411410"	153.766370666667	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H+2Na"	46.985712
"1442796"	461.326146	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H+HCOOH"	47.012746
"233218"	442.33564	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+3H2O+2H"	56.04448
"1520915"	475.37819	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+IsoProp+H"	61.06479
"418777"	445.289588	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+Na+K"	61.952376
"784390"	652.446288	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+Na+K"	61.952376
"1679753"	238.132888	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Na+K"	61.952376
"265546"	892.642568	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+ACN+Na"	64.015768
"1237889"	478.329168	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+ACN+Na"	64.015768
"1722398"	478.352693	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+NH4+HCOOH"	64.039293
"1189941"	161.093684666667	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+3Na"	68.967654
"1660563"	483.308088	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Na+HCOOH"	68.994688
"163780"	905.54584	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+2K-H"	76.91904
"608806"	1319.85924	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+2K-H"	76.91904
"1092589"	491.23244	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2K-H"	76.91904
"149404"	453.276558	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"2M+2K"	77.926316
"586774"	660.433258	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"3M+2K"	77.926316
"1072380"	246.119858	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2K"	77.926316
"1106693"	493.246992	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2K+H"	78.933592
"1347453"	493.334607	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+DMSO+H"	79.021207
"1018171"	497.373776	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2ACN+H"	83.060376
"1537391"	498.367408	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+IsoProp+Na+H"	84.054008
"1001652"	249.190526	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+2ACN+2H"	84.067652
"1597248"	499.282028	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+K+HCOOH"	84.968628
"1425098"	529.313538	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+H+CF3COOH"	115.000138
"1158663"	269.703801	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+3ACN+2H"	125.094202
"1704934"	546.340085	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+NH4+CF3COOH"	132.026685
"1639491"	551.29548	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+Na+CF3COOH"	136.98208
"1577328"	567.26942	"C21077"	"Delta7-Dafachronic acid;3-Keto-7(5alpha)-cholestenoic acid;(25S)-Delta7-Dafachronic acid"	"C27H42O3"	"414.3134"	"M+K+CF3COOH"	152.95602
"805507"	190.0994	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M"	0
"974317"	171.08101	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-H2O-H"	-19.01839
"64119"	125.725657333333	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M-3H"	-3.021828
"503315"	189.092124	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M-3H"	-3.021828
"880752"	62.3591906666667	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-3H"	-3.021828
"2124"	189.092124	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M-2H"	-2.014552
"440465"	284.141824	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M-2H"	-2.014552
"828240"	94.042424	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-2H"	-2.014552
"84950"	379.191524	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M-H"	-1.007276
"529615"	569.290924	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M-H"	-1.007276
"907780"	189.092124	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-H"	-1.007276
"53407"	396.218071	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M-2H+NH4"	16.019271
"491872"	586.317471	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M-2H+NH4"	16.019271
"866394"	206.118671	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-2H+NH4"	16.019271
"33202"	401.173466	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M-2H+Na"	20.974666
"471948"	591.272866	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M-2H+Na"	20.974666
"856039"	211.074066	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-2H+Na"	20.974666
"1628858"	211.074066	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Na-2H"	20.974666
"100646"	207.080463	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M-H+Cl"	33.962126
"540569"	302.130163	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M-H+Cl"	33.962126
"931534"	112.030763	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-H+Cl"	33.962126
"270454"	415.168202	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+Cl"	34.969402
"666157"	605.267602	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+Cl"	34.969402
"1281842"	225.068802	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Cl"	34.969402
"18933"	417.147406	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M-2H+K"	36.948606
"457764"	607.246806	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M-2H+K"	36.948606
"837388"	227.048006	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-2H+K"	36.948606
"1561969"	227.048006	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+K-2H"	36.948606
"945476"	235.097594	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-H+HCOOH"	44.998194
"361870"	425.197001	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+HCOOH-H"	44.998201
"347943"	439.212651	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+Hac-H"	59.013851
"1495316"	249.113251	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Hac-H"	59.013851
"967236"	257.079551	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-H+NaCOOH"	66.980151
"118331"	225.068802	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+2Cl"	69.938804
"555705"	320.118502	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+2Cl"	69.938804
"1029972"	130.019102	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2Cl"	69.938804
"1249551"	269.018285	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Br"	78.918885
"1315280"	271.074272	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Cl+HCOOH"	80.974872
"1325120"	293.056229	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Cl+NaCOOH"	102.956829
"912892"	303.084986	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M-H+CF3COOH"	112.985586
"1291796"	339.061664	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Cl+CF3COOH"	148.962264
"1374334"	155.086724	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H-2H2O"	-35.012676
"1390737"	173.0967	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H-H2O"	-17.0027
"288236"	381.206076	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+H"	1.007276
"677376"	571.305476	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+H"	1.007276
"1352629"	191.106676	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H"	1.007276
"128801"	191.106676	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+2H"	2.014552
"567633"	286.156376	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+2H"	2.014552
"1040808"	96.056976	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2H"	2.014552
"211627"	127.740209333333	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+3H"	3.021828
"648999"	191.106676	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+3H"	3.021828
"1166758"	64.3737426666667	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+3H"	3.021828
"429303"	398.232623	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+NH4"	18.033823
"789568"	588.332023	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+NH4"	18.033823
"1682010"	208.133223	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+NH4"	18.033823
"330890"	199.6199495	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+H+NH4"	19.041099
"724164"	294.6696495	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+H+NH4"	19.041099
"1478596"	104.5702495	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H+NH4"	19.041099
"400927"	403.188018	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+Na"	22.989218
"756817"	593.287418	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+Na"	22.989218
"1605645"	213.088618	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Na"	22.989218
"318962"	202.097647	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+H+Na"	23.996494
"712478"	297.147347	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+H+Na"	23.996494
"1472511"	107.047947	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H+Na"	23.996494
"1063572"	71.7010566666667	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2H+Na"	25.00377
"1267802"	223.132886	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+CH3OH+H"	33.033486
"388934"	419.161958	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+K"	38.963158
"751388"	609.261358	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+K"	38.963158
"1553804"	229.062558	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+K"	38.963158
"310974"	210.084617	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+H+K"	39.970434
"702674"	305.134317	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+H+K"	39.970434
"1459046"	115.034917	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H+K"	39.970434
"247649"	422.232626	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+ACN+H"	42.033826
"1223762"	232.133226	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+ACN+H"	42.033826
"1203512"	116.570251	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+ACN+2H"	43.041102
"197476"	425.16996	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+2Na-H"	44.97116
"641773"	615.26936	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+2Na-H"	44.97116
"1144184"	235.07056	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2Na-H"	44.97116
"186750"	213.088618	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+2Na"	45.978436
"621202"	308.138318	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+2Na"	45.978436
"1127992"	118.038918	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2Na"	45.978436
"1411398"	79.0283706666667	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H+2Na"	46.985712
"1443878"	237.112146	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H+HCOOH"	47.012746
"231140"	218.12164	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+3H2O+2H"	56.04448
"1517015"	251.16419	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+IsoProp+H"	61.06479
"417792"	221.075588	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+Na+K"	61.952376
"782069"	316.125288	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+Na+K"	61.952376
"1678399"	126.025888	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Na+K"	61.952376
"265289"	444.214568	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+ACN+Na"	64.015768
"1238363"	254.115168	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+ACN+Na"	64.015768
"1723236"	254.138693	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+NH4+HCOOH"	64.039293
"1187498"	86.3556846666667	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+3Na"	68.967654
"1660672"	259.094088	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Na+HCOOH"	68.994688
"167897"	457.11784	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+2K-H"	76.91904
"607821"	647.21724	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+2K-H"	76.91904
"1090512"	267.01844	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2K-H"	76.91904
"148420"	229.062558	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"2M+2K"	77.926316
"586884"	324.112258	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"3M+2K"	77.926316
"1073583"	134.012858	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2K"	77.926316
"1106801"	269.032992	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2K+H"	78.933592
"1346470"	269.120607	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+DMSO+H"	79.021207
"1018281"	273.159776	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2ACN+H"	83.060376
"1536408"	274.153408	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+IsoProp+Na+H"	84.054008
"1001762"	137.083526	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+2ACN+2H"	84.067652
"1597358"	275.068028	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+K+HCOOH"	84.968628
"1426301"	305.099538	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+H+CF3COOH"	115.000138
"1158773"	157.596801	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+3ACN+2H"	125.094202
"1703951"	322.126085	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+NH4+CF3COOH"	132.026685
"1640694"	327.08148	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+Na+CF3COOH"	136.98208
"1574158"	343.05542	"C21078"	"26-Dimethyldeca-2468-tetraenedial"	"C12H14O2"	"190.0994"	"M+K+CF3COOH"	152.95602
"804524"	242.0539	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M"	0
"975868"	223.03551	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-H2O-H"	-19.01839
"63501"	160.361990666667	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M-3H"	-3.021828
"503670"	241.046624	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M-3H"	-3.021828
"881835"	79.6773573333333	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-3H"	-3.021828
"532"	241.046624	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M-2H"	-2.014552
"442886"	362.073574	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M-2H"	-2.014552
"828350"	120.019674	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-2H"	-2.014552
"85060"	483.100524	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M-H"	-1.007276
"531184"	725.154424	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M-H"	-1.007276
"908621"	241.046624	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-H"	-1.007276
"56797"	500.127071	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M-2H+NH4"	16.019271
"491982"	742.180971	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M-2H+NH4"	16.019271
"866505"	258.073171	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-2H+NH4"	16.019271
"32215"	505.082466	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M-2H+Na"	20.974666
"472506"	747.136366	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M-2H+Na"	20.974666
"856149"	263.028566	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-2H+Na"	20.974666
"1623863"	263.028566	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Na-2H"	20.974666
"97840"	259.034963	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M-H+Cl"	33.962126
"537763"	380.061913	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M-H+Cl"	33.962126
"934195"	138.008013	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-H+Cl"	33.962126
"270928"	519.077202	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+Cl"	34.969402
"666267"	761.131102	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+Cl"	34.969402
"1280858"	277.023302	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Cl"	34.969402
"22323"	521.056406	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M-2H+K"	36.948606
"459697"	763.110306	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M-2H+K"	36.948606
"836405"	279.002506	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-2H+K"	36.948606
"1560986"	279.002506	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+K-2H"	36.948606
"948868"	287.052094	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-H+HCOOH"	44.998194
"363072"	529.106001	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+HCOOH-H"	44.998201
"348780"	543.121651	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+Hac-H"	59.013851
"1494328"	301.067751	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Hac-H"	59.013851
"968439"	309.034051	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-H+NaCOOH"	66.980151
"117347"	277.023302	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+2Cl"	69.938804
"562011"	398.050252	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+2Cl"	69.938804
"1032269"	155.996352	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2Cl"	69.938804
"1250754"	320.972785	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Br"	78.918885
"1319036"	323.028772	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Cl+HCOOH"	80.974872
"1329604"	345.010729	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Cl+NaCOOH"	102.956829
"911828"	355.039486	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M-H+CF3COOH"	112.985586
"1292999"	391.016164	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Cl+CF3COOH"	148.962264
"1373351"	207.041224	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H-2H2O"	-35.012676
"1389753"	225.0512	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H-H2O"	-17.0027
"289439"	485.115076	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+H"	1.007276
"678579"	727.168976	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+H"	1.007276
"1352739"	243.061176	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H"	1.007276
"128910"	243.061176	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+2H"	2.014552
"566650"	364.088126	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+2H"	2.014552
"1040554"	122.034226	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2H"	2.014552
"209915"	162.376542666667	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+3H"	3.021828
"648016"	243.061176	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+3H"	3.021828
"1165047"	81.6919093333333	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+3H"	3.021828
"425890"	502.141623	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+NH4"	18.033823
"786884"	744.195523	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+NH4"	18.033823
"1681750"	260.087723	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+NH4"	18.033823
"330880"	251.5744495	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+H+NH4"	19.041099
"724518"	372.6013995	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+H+NH4"	19.041099
"1477367"	130.5474995	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H+NH4"	19.041099
"399944"	507.097018	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+Na"	22.989218
"759843"	749.150918	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+Na"	22.989218
"1605140"	265.043118	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Na"	22.989218
"317978"	254.052147	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+H+Na"	23.996494
"710764"	375.079097	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+H+Na"	23.996494
"1472621"	133.025197	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H+Na"	23.996494
"1061856"	89.0192233333333	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2H+Na"	25.00377
"1264632"	275.087386	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+CH3OH+H"	33.033486
"389410"	523.070958	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+K"	38.963158
"748948"	765.124858	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+K"	38.963158
"1552456"	281.017058	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+K"	38.963158
"312178"	262.039117	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+H+K"	39.970434
"699871"	383.066067	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+H+K"	39.970434
"1457698"	141.012167	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H+K"	39.970434
"245936"	526.141626	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+ACN+H"	42.033826
"1221561"	284.087726	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+ACN+H"	42.033826
"1203622"	142.547501	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+ACN+2H"	43.041102
"196492"	529.07896	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+2Na-H"	44.97116
"641516"	771.13286	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+2Na-H"	44.97116
"1141742"	287.02506	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2Na-H"	44.97116
"186129"	265.043118	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+2Na"	45.978436
"621312"	386.070068	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+2Na"	45.978436
"1124822"	144.016168	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2Na"	45.978436
"1408347"	96.3465373333333	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H+2Na"	46.985712
"1443987"	289.066646	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H+HCOOH"	47.012746
"230157"	270.07614	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+3H2O+2H"	56.04448
"1518218"	303.11869	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+IsoProp+H"	61.06479
"417902"	273.030088	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+Na+K"	61.952376
"782179"	394.057038	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+Na+K"	61.952376
"1678509"	152.003138	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Na+K"	61.952376
"265030"	548.123568	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+ACN+Na"	64.015768
"1236649"	306.069668	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+ACN+Na"	64.015768
"1725168"	306.093193	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+NH4+HCOOH"	64.039293
"1187244"	103.673851333333	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+3Na"	68.967654
"1660782"	311.048588	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Na+HCOOH"	68.994688
"168007"	561.02684	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+2K-H"	76.91904
"604651"	803.08074	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+2K-H"	76.91904
"1090622"	318.97294	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2K-H"	76.91904
"148530"	281.017058	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"2M+2K"	77.926316
"586994"	402.044008	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"3M+2K"	77.926316
"1075880"	159.990108	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2K"	77.926316
"1105818"	320.987492	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2K+H"	78.933592
"1344394"	321.075107	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+DMSO+H"	79.021207
"1016201"	325.114276	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2ACN+H"	83.060376
"1533237"	326.107908	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+IsoProp+Na+H"	84.054008
"1000775"	163.060776	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+2ACN+2H"	84.067652
"1597468"	327.022528	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+K+HCOOH"	84.968628
"1425318"	357.054038	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+H+CF3COOH"	115.000138
"1159977"	183.574051	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+3ACN+2H"	125.094202
"1705154"	374.080585	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+NH4+CF3COOH"	132.026685
"1640804"	379.03598	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+Na+CF3COOH"	136.98208
"1574268"	395.00992	"C21079"	"5-Dehydrouridine;Uridine-5-aldehyde"	"C9H10N2O6"	"242.0539"	"M+K+CF3COOH"	152.95602
"804634"	216.1725	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M"	0
"975240"	197.15411	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-H2O-H"	-19.01839
"63848"	143.107724	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M-3H"	-3.021828
"503534"	215.165224	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M-3H"	-3.021828
"881337"	71.050224	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-3H"	-3.021828
"1126"	215.165224	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M-2H"	-2.014552
"444089"	323.251474	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M-2H"	-2.014552
"828460"	107.078974	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-2H"	-2.014552
"82983"	431.337724	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M-H"	-1.007276
"531293"	647.510224	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M-H"	-1.007276
"909095"	215.165224	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-H"	-1.007276
"55814"	448.364271	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M-2H+NH4"	16.019271
"491000"	664.536771	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M-2H+NH4"	16.019271
"866615"	232.191771	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-2H+NH4"	16.019271
"32691"	453.319666	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M-2H+Na"	20.974666
"476262"	669.492166	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M-2H+Na"	20.974666
"856259"	237.147166	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-2H+Na"	20.974666
"1626889"	237.147166	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Na-2H"	20.974666
"98314"	233.153563	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M-H+Cl"	33.962126
"537509"	341.239813	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M-H+Cl"	33.962126
"934305"	125.067313	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-H+Cl"	33.962126
"271768"	467.314402	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+Cl"	34.969402
"666377"	683.486902	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+Cl"	34.969402
"1276595"	251.141902	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Cl"	34.969402
"21340"	469.293606	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M-2H+K"	36.948606
"464181"	685.466106	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M-2H+K"	36.948606
"837608"	253.121106	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-2H+K"	36.948606
"1564376"	253.121106	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+K-2H"	36.948606
"950071"	261.170694	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-H+HCOOH"	44.998194
"363913"	477.343201	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+HCOOH-H"	44.998201
"348890"	491.358851	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+Hac-H"	59.013851
"1495166"	275.186351	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Hac-H"	59.013851
"966363"	283.152651	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-H+NaCOOH"	66.980151
"114177"	251.141902	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+2Cl"	69.938804
"561757"	359.228152	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+2Cl"	69.938804
"1034932"	143.055652	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2Cl"	69.938804
"1253051"	295.091385	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Br"	78.918885
"1319881"	297.147372	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Cl+HCOOH"	80.974872
"1328621"	319.129329	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Cl+NaCOOH"	102.956829
"912509"	329.158086	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M-H+CF3COOH"	112.985586
"1292016"	365.134764	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Cl+CF3COOH"	148.962264
"1374554"	181.159824	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H-2H2O"	-35.012676
"1388769"	199.1698	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H-H2O"	-17.0027
"284082"	433.352276	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+H"	1.007276
"676377"	649.524776	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+H"	1.007276
"1352850"	217.179776	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H"	1.007276
"126464"	217.179776	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+2H"	2.014552
"569673"	325.266026	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+2H"	2.014552
"1038840"	109.093526	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2H"	2.014552
"206742"	145.122276	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+3H"	3.021828
"645939"	217.179776	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+3H"	3.021828
"1163453"	73.064776	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+3H"	3.021828
"425513"	450.378823	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+NH4"	18.033823
"787114"	666.551323	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+NH4"	18.033823
"1681400"	234.206323	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+NH4"	18.033823
"330425"	225.6930495	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+H+NH4"	19.041099
"725357"	333.7792995	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+H+NH4"	19.041099
"1478086"	117.6067995	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H+NH4"	19.041099
"394953"	455.334218	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+Na"	22.989218
"756306"	671.506718	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+Na"	22.989218
"1605132"	239.161718	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Na"	22.989218
"316994"	228.170747	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+H+Na"	23.996494
"711967"	336.256997	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+H+Na"	23.996494
"1472730"	120.084497	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H+Na"	23.996494
"1061966"	80.39209	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2H+Na"	25.00377
"1263649"	249.205986	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+CH3OH+H"	33.033486
"391585"	471.308158	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+K"	38.963158
"753432"	687.480658	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+K"	38.963158
"1551834"	255.135658	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+K"	38.963158
"310102"	236.157717	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+H+K"	39.970434
"703259"	344.243967	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+H+K"	39.970434
"1458537"	128.071467	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H+K"	39.970434
"248234"	474.378826	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+ACN+H"	42.033826
"1223979"	258.206326	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+ACN+H"	42.033826
"1208956"	129.606801	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+ACN+2H"	43.041102
"198787"	477.31616	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+2Na-H"	44.97116
"642598"	693.48866	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+2Na-H"	44.97116
"1141853"	261.14366	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2Na-H"	44.97116
"184049"	239.161718	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+2Na"	45.978436
"621422"	347.247968	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+2Na"	45.978436
"1126026"	131.075468	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2Na"	45.978436
"1406271"	87.719404	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H+2Na"	46.985712
"1437293"	263.185246	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H+HCOOH"	47.012746
"230268"	244.19474	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+3H2O+2H"	56.04448
"1521610"	277.23729	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+IsoProp+H"	61.06479
"420200"	247.148688	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+Na+K"	61.952376
"785085"	355.234938	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+Na+K"	61.952376
"1678619"	139.062438	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Na+K"	61.952376
"264776"	496.360768	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+ACN+Na"	64.015768
"1239672"	280.188268	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+ACN+Na"	64.015768
"1722361"	280.211793	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+NH4+HCOOH"	64.039293
"1188809"	95.046718	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+3Na"	68.967654
"1659796"	285.167188	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Na+HCOOH"	68.994688
"164108"	509.26404	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+2K-H"	76.91904
"601845"	725.43654	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+2K-H"	76.91904
"1091822"	293.09154	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2K-H"	76.91904
"145355"	255.135658	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"2M+2K"	77.926316
"584917"	363.221908	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"3M+2K"	77.926316
"1069914"	147.049408	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2K"	77.926316
"1110303"	295.106092	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2K+H"	78.933592
"1346690"	295.193707	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+DMSO+H"	79.021207
"1016311"	299.232876	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2ACN+H"	83.060376
"1535533"	300.226508	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+IsoProp+Na+H"	84.054008
"1000885"	150.120076	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+2ACN+2H"	84.067652
"1597578"	301.141128	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+K+HCOOH"	84.968628
"1428708"	331.172638	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+H+CF3COOH"	115.000138
"1160087"	170.633351	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+3ACN+2H"	125.094202
"1704171"	348.199185	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+NH4+CF3COOH"	132.026685
"1639821"	353.15458	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+Na+CF3COOH"	136.98208
"1574378"	369.12852	"C21080"	"7-Hydroxydodecanoate"	"C12H24O3"	"216.1725"	"M+K+CF3COOH"	152.95602
"808024"	903.1313	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M"	0
"978275"	884.11291	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-H2O-H"	-19.01839
"66515"	601.080257333333	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M-3H"	-3.021828
"510450"	902.124024	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M-3H"	-3.021828
"886065"	300.036490666667	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-3H"	-3.021828
"5733"	902.124024	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M-2H"	-2.014552
"447481"	1353.689674	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M-2H"	-2.014552
"821634"	450.558374	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-2H"	-2.014552
"80897"	1805.255324	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M-H"	-1.007276
"534007"	2708.386624	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M-H"	-1.007276
"911116"	902.124024	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-H"	-1.007276
"57384"	1822.281871	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M-2H+NH4"	16.019271
"493298"	2725.413171	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M-2H+NH4"	16.019271
"868912"	919.150571	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-2H+NH4"	16.019271
"32439"	1827.237266	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M-2H+Na"	20.974666
"473458"	2730.368566	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M-2H+Na"	20.974666
"854179"	924.105966	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-2H+Na"	20.974666
"1623717"	924.105966	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Na-2H"	20.974666
"103527"	920.112363	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M-H+Cl"	33.962126
"541993"	1371.678013	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M-H+Cl"	33.962126
"934413"	468.546713	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-H+Cl"	33.962126
"270784"	1841.232002	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+Cl"	34.969402
"666486"	2744.363302	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+Cl"	34.969402
"1274517"	938.100702	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Cl"	34.969402
"23637"	1843.211206	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M-2H+K"	36.948606
"466478"	2746.342506	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M-2H+K"	36.948606
"837718"	940.079906	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-2H+K"	36.948606
"1564485"	940.079906	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+K-2H"	36.948606
"953462"	948.129494	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-H+HCOOH"	44.998194
"369490"	1851.260801	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+HCOOH-H"	44.998201
"350094"	1865.276451	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+Hac-H"	59.013851
"1494551"	962.145151	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Hac-H"	59.013851
"963191"	970.111451	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-H+NaCOOH"	66.980151
"113193"	938.100702	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+2Cl"	69.938804
"560407"	1389.666352	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+2Cl"	69.938804
"1032488"	486.535052	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2Cl"	69.938804
"1255348"	982.050185	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Br"	78.918885
"1319177"	984.106172	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Cl+HCOOH"	80.974872
"1330917"	1006.088129	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Cl+NaCOOH"	102.956829
"914321"	1016.116886	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M-H+CF3COOH"	112.985586
"1295407"	1052.093564	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Cl+CF3COOH"	148.962264
"1379038"	868.118624	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H-2H2O"	-35.012676
"1392160"	886.1286	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H-H2O"	-17.0027
"287472"	1807.269876	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+H"	1.007276
"679893"	2710.401176	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+H"	1.007276
"1355148"	904.138576	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H"	1.007276
"130223"	904.138576	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+2H"	2.014552
"573063"	1355.704226	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+2H"	2.014552
"1040775"	452.572926	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2H"	2.014552
"206854"	603.094809333333	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+3H"	3.021828
"647141"	904.138576	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+3H"	3.021828
"1169639"	302.051042666667	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+3H"	3.021828
"428539"	1824.296423	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+NH4"	18.033823
"789533"	2727.427723	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+NH4"	18.033823
"1685134"	921.165123	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+NH4"	18.033823
"334505"	912.6518495	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+H+NH4"	19.041099
"729844"	1364.2174995	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+H+NH4"	19.041099
"1481113"	461.0861995	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H+NH4"	19.041099
"399071"	1829.251818	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+Na"	22.989218
"758239"	2732.383118	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+Na"	22.989218
"1605972"	926.120518	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Na"	22.989218
"318197"	915.129547	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+H+Na"	23.996494
"710984"	1366.695197	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+H+Na"	23.996494
"1472840"	463.563897	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H+Na"	23.996494
"1063172"	309.378356666667	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2H+Na"	25.00377
"1264852"	936.164786	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+CH3OH+H"	33.033486
"391816"	1845.225758	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+K"	38.963158
"753786"	2748.357058	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+K"	38.963158
"1551944"	942.094458	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+K"	38.963158
"311305"	923.116517	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+H+K"	39.970434
"703733"	1374.682167	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+H+K"	39.970434
"1461203"	471.550867	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H+K"	39.970434
"248344"	1848.296426	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+ACN+H"	42.033826
"1224331"	945.165126	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+ACN+H"	42.033826
"1209675"	473.086201	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+ACN+2H"	43.041102
"202177"	1851.23376	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+2Na-H"	44.97116
"643681"	2754.36506	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+2Na-H"	44.97116
"1146095"	948.10246	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2Na-H"	44.97116
"184159"	926.120518	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+2Na"	45.978436
"621532"	1377.686168	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+2Na"	45.978436
"1129783"	474.554868	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2Na"	45.978436
"1405288"	316.705670666667	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H+2Na"	46.985712
"1437403"	950.144046	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H+HCOOH"	47.012746
"233659"	931.15354	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+3H2O+2H"	56.04448
"1521357"	964.19609	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+IsoProp+H"	61.06479
"420310"	934.107488	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+Na+K"	61.952376
"783493"	1385.673138	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+Na+K"	61.952376
"1677636"	482.541838	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Na+K"	61.952376
"260875"	1870.278368	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+ACN+Na"	64.015768
"1235769"	967.147068	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+ACN+Na"	64.015768
"1722471"	967.170593	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+NH4+HCOOH"	64.039293
"1188919"	324.032984666667	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+3Na"	68.967654
"1659906"	972.125988	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Na+HCOOH"	68.994688
"166767"	1883.18164	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+2K-H"	76.91904
"603048"	2786.31294	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+2K-H"	76.91904
"1089745"	980.05034	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2K-H"	76.91904
"145466"	942.094458	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"2M+2K"	77.926316
"582961"	1393.660108	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"3M+2K"	77.926316
"1070024"	490.528808	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2K"	77.926316
"1111506"	982.064892	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2K+H"	78.933592
"1347893"	982.152507	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+DMSO+H"	79.021207
"1016421"	986.191676	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2ACN+H"	83.060376
"1537707"	987.185308	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+IsoProp+Na+H"	84.054008
"1002817"	493.599476	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+2ACN+2H"	84.067652
"1598781"	988.099928	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+K+HCOOH"	84.968628
"1427361"	1018.131438	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+H+CF3COOH"	115.000138
"1161290"	514.112751	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+3ACN+2H"	125.094202
"1704281"	1035.157985	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+NH4+CF3COOH"	132.026685
"1639931"	1040.11338	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+Na+CF3COOH"	136.98208
"1574488"	1056.08732	"C21081"	"Gentisyl-CoA;25-Dihydroxybenzoyl-CoA"	"C28H40N7O19P3S"	"903.1313"	"M+K+CF3COOH"	152.95602
"808134"	1055.3605	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M"	0
"974286"	1036.34211	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H2O-H"	-19.01839
"64439"	702.566390666667	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-3H"	-3.021828
"503270"	1054.353224	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-3H"	-3.021828
"880166"	350.779557333333	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-3H"	-3.021828
"3657"	1054.353224	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H"	-2.014552
"442124"	1582.033474	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H"	-2.014552
"818341"	526.672974	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H"	-2.014552
"79062"	2109.713724	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-H"	-1.007276
"531150"	3165.074224	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-H"	-1.007276
"900566"	1054.353224	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H"	-1.007276
"50566"	2126.740271	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+NH4"	16.019271
"490125"	3182.100771	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+NH4"	16.019271
"865742"	1071.379771	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+NH4"	16.019271
"31814"	2131.695666	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+Na"	20.974666
"471662"	3187.056166	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+Na"	20.974666
"848858"	1076.335166	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+Na"	20.974666
"1623827"	1076.335166	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na-2H"	20.974666
"100355"	1072.341563	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-H+Cl"	33.962126
"544288"	1600.021813	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-H+Cl"	33.962126
"934524"	544.661313	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+Cl"	33.962126
"270895"	2145.690402	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Cl"	34.969402
"664410"	3201.050902	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Cl"	34.969402
"1273896"	1090.329902	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl"	34.969402
"20466"	2147.669606	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M-2H+K"	36.948606
"461120"	3203.030106	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M-2H+K"	36.948606
"841107"	1092.309106	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-2H+K"	36.948606
"1562408"	1092.309106	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K-2H"	36.948606
"952479"	1100.358694	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+HCOOH"	44.998194
"369600"	2155.719201	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+HCOOH-H"	44.998201
"346922"	2169.734851	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Hac-H"	59.013851
"1493202"	1114.374351	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Hac-H"	59.013851
"962208"	1122.340651	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+NaCOOH"	66.980151
"111117"	1090.329902	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Cl"	69.938804
"560517"	1618.010152	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Cl"	69.938804
"1031505"	562.649652	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Cl"	69.938804
"1254365"	1134.279385	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Br"	78.918885
"1319245"	1136.335372	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+HCOOH"	80.974872
"1332121"	1158.317329	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+NaCOOH"	102.956829
"916618"	1168.346086	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M-H+CF3COOH"	112.985586
"1294420"	1204.322764	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Cl+CF3COOH"	148.962264
"1375868"	1020.347824	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H-2H2O"	-35.012676
"1386803"	1038.3578	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H-H2O"	-17.0027
"285396"	2111.728276	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H"	1.007276
"675682"	3167.088776	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H"	1.007276
"1353071"	1056.367776	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H"	1.007276
"134707"	1056.367776	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2H"	2.014552
"570986"	1584.048026	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2H"	2.014552
"1039792"	528.687526	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2H"	2.014552
"205626"	704.580942666667	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+3H"	3.021828
"645064"	1056.367776	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+3H"	3.021828
"1166471"	352.794109333333	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3H"	3.021828
"426461"	2128.754823	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+NH4"	18.033823
"788548"	3184.115323	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+NH4"	18.033823
"1683785"	1073.394323	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4"	18.033823
"332062"	1064.8810495	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+NH4"	19.041099
"729954"	1592.5612995	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+NH4"	19.041099
"1478672"	537.2007995	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+NH4"	19.041099
"398088"	2133.710218	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Na"	22.989218
"756892"	3189.070718	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Na"	22.989218
"1605714"	1078.349718	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na"	22.989218
"318304"	1067.358747	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+Na"	23.996494
"711094"	1595.038997	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+Na"	23.996494
"1470764"	539.678497	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+Na"	23.996494
"1064375"	360.121423333333	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2H+Na"	25.00377
"1264962"	1088.393986	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+CH3OH+H"	33.033486
"392414"	2149.684158	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+K"	38.963158
"753165"	3205.044658	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+K"	38.963158
"1550961"	1094.323658	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K"	38.963158
"311415"	1075.345717	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+H+K"	39.970434
"703843"	1603.025967	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+H+K"	39.970434
"1457665"	547.665467	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+K"	39.970434
"246265"	2152.754826	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+ACN+H"	42.033826
"1223347"	1097.394326	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+H"	42.033826
"1208690"	549.200801	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+2H"	43.041102
"200101"	2155.69216	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Na-H"	44.97116
"641847"	3211.05266	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Na-H"	44.97116
"1144261"	1100.33166	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Na-H"	44.97116
"186456"	1078.349718	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2Na"	45.978436
"624922"	1606.029968	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2Na"	45.978436
"1127339"	550.669468	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2Na"	45.978436
"1405398"	367.448737333333	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+2Na"	46.985712
"1440793"	1102.373246	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+HCOOH"	47.012746
"232675"	1083.38274	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+3H2O+2H"	56.04448
"1521466"	1116.42529	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+IsoProp+H"	61.06479
"419327"	1086.336688	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+Na+K"	61.952376
"780323"	1614.016938	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+Na+K"	61.952376
"1677746"	558.656438	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+K"	61.952376
"259892"	2174.736768	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+ACN+Na"	64.015768
"1232599"	1119.376268	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+ACN+Na"	64.015768
"1722946"	1119.399793	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4+HCOOH"	64.039293
"1189029"	374.776051333333	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3Na"	68.967654
"1658923"	1124.355188	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+HCOOH"	68.994688
"163598"	2187.64004	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2K-H"	76.91904
"600971"	3243.00054	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2K-H"	76.91904
"1090948"	1132.27954	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K-H"	76.91904
"142417"	1094.323658	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"2M+2K"	77.926316
"583071"	1622.003908	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"3M+2K"	77.926316
"1070744"	566.643408	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K"	77.926316
"1103961"	1134.294092	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2K+H"	78.933592
"1345814"	1134.381707	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+DMSO+H"	79.021207
"1010334"	1138.420876	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2ACN+H"	83.060376
"1538912"	1139.414508	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+IsoProp+Na+H"	84.054008
"1003291"	569.714076	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+2ACN+2H"	84.067652
"1600713"	1140.329128	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K+HCOOH"	84.968628
"1428564"	1170.360638	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+H+CF3COOH"	115.000138
"1162372"	590.227351	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+3ACN+2H"	125.094202
"1705484"	1187.387185	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+NH4+CF3COOH"	132.026685
"1640041"	1192.34258	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+Na+CF3COOH"	136.98208
"1577878"	1208.31652	"C21082"	"(5Z11Z14Z)-Icosa-51114-trienoyl-CoA"	"C41H68N7O17P3S"	"1055.3605"	"M+K+CF3COOH"	152.95602
"808244"	1053.3449	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M"	0
"975579"	1034.32651	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H2O-H"	-19.01839
"63333"	701.222657333333	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-3H"	-3.021828
"503380"	1052.337624	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-3H"	-3.021828
"880938"	350.107690666667	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-3H"	-3.021828
"1580"	1052.337624	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H"	-2.014552
"443326"	1579.010074	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H"	-2.014552
"820396"	525.665174	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H"	-2.014552
"81119"	2105.682524	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-H"	-1.007276
"531869"	3159.027424	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-H"	-1.007276
"900676"	1052.337624	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H"	-1.007276
"49583"	2122.709071	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+NH4"	16.019271
"489142"	3176.053971	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+NH4"	16.019271
"867311"	1069.364171	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+NH4"	16.019271
"33025"	2127.664466	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+Na"	20.974666
"472340"	3181.009366	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+Na"	20.974666
"848685"	1074.319566	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+Na"	20.974666
"1631228"	1074.319566	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na-2H"	20.974666
"100466"	1070.325963	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-H+Cl"	33.962126
"541119"	1596.998413	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-H+Cl"	33.962126
"934635"	543.653513	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+Cl"	33.962126
"273193"	2141.659202	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Cl"	34.969402
"664884"	3195.004102	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Cl"	34.969402
"1275098"	1088.314302	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl"	34.969402
"18389"	2143.638406	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M-2H+K"	36.948606
"459043"	3196.983306	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M-2H+K"	36.948606
"837937"	1090.293506	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-2H+K"	36.948606
"1561425"	1090.293506	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K-2H"	36.948606
"952589"	1098.343094	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+HCOOH"	44.998194
"367524"	2151.688001	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+HCOOH-H"	44.998201
"347031"	2165.703651	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Hac-H"	59.013851
"1494036"	1112.358751	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Hac-H"	59.013851
"961222"	1120.325051	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+NaCOOH"	66.980151
"118880"	1088.314302	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Cl"	69.938804
"557347"	1614.986752	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Cl"	69.938804
"1035623"	561.641852	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Cl"	69.938804
"1253381"	1132.263785	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Br"	78.918885
"1318016"	1134.319772	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+HCOOH"	80.974872
"1332230"	1156.301729	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+NaCOOH"	102.956829
"916728"	1166.330486	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M-H+CF3COOH"	112.985586
"1298904"	1202.307164	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Cl+CF3COOH"	148.962264
"1372698"	1018.332224	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H-2H2O"	-35.012676
"1386913"	1036.3422	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H-H2O"	-17.0027
"284411"	2107.697076	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H"	1.007276
"676588"	3161.041976	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H"	1.007276
"1355367"	1054.352176	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H"	1.007276
"134817"	1054.352176	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2H"	2.014552
"571096"	1581.024626	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2H"	2.014552
"1040266"	527.679726	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2H"	2.014552
"205614"	703.237209333333	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+3H"	3.021828
"645538"	1054.352176	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+3H"	3.021828
"1165488"	352.122242666667	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3H"	3.021828
"426569"	2124.723623	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+NH4"	18.033823
"789021"	3178.068523	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+NH4"	18.033823
"1682801"	1071.378723	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4"	18.033823
"332901"	1062.8654495	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+NH4"	19.041099
"728606"	1589.5378995	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+NH4"	19.041099
"1480604"	536.1929995	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+NH4"	19.041099
"395643"	2129.679018	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Na"	22.989218
"756997"	3183.023918	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Na"	22.989218
"1606553"	1076.334118	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na"	22.989218
"318778"	1065.343147	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+Na"	23.996494
"711929"	1592.015597	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+Na"	23.996494
"1466856"	538.670697	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+Na"	23.996494
"1065213"	359.449556666667	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2H+Na"	25.00377
"1267258"	1086.378386	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+CH3OH+H"	33.033486
"392486"	2145.652958	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+K"	38.963158
"752303"	3198.997858	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+K"	38.963158
"1553257"	1092.308058	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K"	38.963158
"311890"	1073.330117	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+H+K"	39.970434
"703954"	1600.002567	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+H+K"	39.970434
"1457774"	546.657667	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+K"	39.970434
"247469"	2148.723626	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+ACN+H"	42.033826
"1222364"	1095.378726	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+H"	42.033826
"1208800"	548.193001	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+2H"	43.041102
"199847"	2151.66096	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Na-H"	44.97116
"640864"	3205.00586	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Na-H"	44.97116
"1142184"	1098.31606	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Na-H"	44.97116
"185838"	1076.334118	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2Na"	45.978436
"621752"	1603.006568	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2Na"	45.978436
"1124170"	549.661668	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2Na"	45.978436
"1405508"	366.776870666667	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+2Na"	46.985712
"1436895"	1100.357646	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+HCOOH"	47.012746
"232057"	1081.36714	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+3H2O+2H"	56.04448
"1517931"	1114.40969	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+IsoProp+H"	61.06479
"417979"	1084.321088	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+Na+K"	61.952376
"777152"	1610.993538	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+Na+K"	61.952376
"1674574"	557.648638	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+K"	61.952376
"257814"	2170.705568	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+ACN+Na"	64.015768
"1233801"	1117.360668	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+ACN+Na"	64.015768
"1723056"	1117.384193	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4+HCOOH"	64.039293
"1187681"	374.104184666667	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3Na"	68.967654
"1659398"	1122.339588	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+HCOOH"	68.994688
"164437"	2183.60884	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2K-H"	76.91904
"602903"	3236.95374	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2K-H"	76.91904
"1089965"	1130.26394	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K-H"	76.91904
"141918"	1092.308058	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"2M+2K"	77.926316
"582088"	1618.980508	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"3M+2K"	77.926316
"1068783"	565.635608	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K"	77.926316
"1105164"	1132.278492	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2K+H"	78.933592
"1347017"	1132.366107	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+DMSO+H"	79.021207
"1011173"	1136.405276	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2ACN+H"	83.060376
"1539632"	1137.398908	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+IsoProp+Na+H"	84.054008
"1003037"	568.706276	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+2ACN+2H"	84.067652
"1602283"	1138.313528	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K+HCOOH"	84.968628
"1428310"	1168.345038	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+H+CF3COOH"	115.000138
"1161510"	589.219551	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+3ACN+2H"	125.094202
"1704499"	1185.371585	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+NH4+CF3COOH"	132.026685
"1639056"	1190.32698	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+Na+CF3COOH"	136.98208
"1577988"	1206.30092	"C21083"	"(5Z11Z14Z17Z)-Icosa-5111417-tetraenoyl-CoA"	"C41H66N7O17P3S"	"1053.3449"	"M+K+CF3COOH"	152.95602
"808354"	438.3498	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M"	0
"975567"	419.33141	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-H2O-H"	-19.01839
"65753"	291.225924	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M-3H"	-3.021828
"506407"	437.342524	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M-3H"	-3.021828
"883115"	145.109324	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-3H"	-3.021828
"4970"	437.342524	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M-2H"	-2.014552
"443436"	656.517424	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M-2H"	-2.014552
"821239"	218.167624	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-2H"	-2.014552
"81229"	875.692324	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M-H"	-1.007276
"533073"	1314.042124	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M-H"	-1.007276
"902973"	437.342524	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-H"	-1.007276
"51879"	892.718871	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M-2H+NH4"	16.019271
"489253"	1331.068671	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M-2H+NH4"	16.019271
"868150"	454.369071	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-2H+NH4"	16.019271
"33864"	897.674266	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M-2H+Na"	20.974666
"474517"	1336.024066	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M-2H+Na"	20.974666
"851592"	459.324466	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-2H+Na"	20.974666
"1630245"	459.324466	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Na-2H"	20.974666
"103855"	455.330863	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M-H+Cl"	33.962126
"544508"	674.505763	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M-H+Cl"	33.962126
"931465"	236.155963	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-H+Cl"	33.962126
"273303"	911.669002	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+Cl"	34.969402
"665724"	1350.018802	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+Cl"	34.969402
"1275209"	473.319202	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Cl"	34.969402
"23966"	913.648206	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M-2H+K"	36.948606
"460247"	1351.998006	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M-2H+K"	36.948606
"843514"	475.298406	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-2H+K"	36.948606
"1561535"	475.298406	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+K-2H"	36.948606
"953792"	483.347994	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-H+HCOOH"	44.998194
"372007"	921.697801	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+HCOOH-H"	44.998201
"346170"	935.713451	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+Hac-H"	59.013851
"1493789"	497.363651	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Hac-H"	59.013851
"960241"	505.329951	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-H+NaCOOH"	66.980151
"120083"	473.319202	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+2Cl"	69.938804
"557457"	692.494102	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+2Cl"	69.938804
"1032817"	254.144302	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2Cl"	69.938804
"1254586"	517.268685	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Br"	78.918885
"1318618"	519.324672	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Cl+HCOOH"	80.974872
"1335016"	541.306629	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Cl+NaCOOH"	102.956829
"919025"	551.335386	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M-H+CF3COOH"	112.985586
"1301200"	587.312064	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Cl+CF3COOH"	148.962264
"1379364"	403.337124	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H-2H2O"	-35.012676
"1384104"	421.3471	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H-H2O"	-17.0027
"283671"	877.706876	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+H"	1.007276
"678158"	1316.056676	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+H"	1.007276
"1356573"	439.357076	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H"	1.007276
"138208"	439.357076	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+2H"	2.014552
"572301"	658.531976	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+2H"	2.014552
"1042200"	220.182176	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2H"	2.014552
"205236"	293.240476	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+3H"	3.021828
"646014"	439.357076	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+3H"	3.021828
"1164259"	147.123876	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+3H"	3.021828
"427043"	894.733423	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+NH4"	18.033823
"788402"	1333.083223	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+NH4"	18.033823
"1682788"	456.383623	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+NH4"	18.033823
"333012"	447.8703495	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+H+NH4"	19.041099
"730537"	667.0452495	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+H+NH4"	19.041099
"1478526"	228.6954495	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H+NH4"	19.041099
"395024"	899.688818	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+Na"	22.989218
"756743"	1338.038618	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+Na"	22.989218
"1605934"	461.339018	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Na"	22.989218
"318522"	450.348047	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+H+Na"	23.996494
"710214"	669.522947	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+H+Na"	23.996494
"1466966"	231.173147	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H+Na"	23.996494
"1066782"	154.45119	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2H+Na"	25.00377
"1268462"	471.383286	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+CH3OH+H"	33.033486
"392149"	915.662758	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+K"	38.963158
"753019"	1354.012558	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+K"	38.963158
"1553005"	477.312958	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+K"	38.963158
"312003"	458.335017	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+H+K"	39.970434
"702971"	677.509917	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+H+K"	39.970434
"1457886"	239.160117	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H+K"	39.970434
"246485"	918.733426	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+ACN+H"	42.033826
"1222475"	480.383626	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+ACN+H"	42.033826
"1209280"	240.695451	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+ACN+2H"	43.041102
"201781"	921.67076	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+2Na-H"	44.97116
"642675"	1360.02056	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+2Na-H"	44.97116
"1144118"	483.32096	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2Na-H"	44.97116
"185221"	461.339018	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+2Na"	45.978436
"621862"	680.513918	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+2Na"	45.978436
"1125373"	242.164118	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2Na"	45.978436
"1409991"	161.778504	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H+2Na"	46.985712
"1441379"	485.362546	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H+HCOOH"	47.012746
"232168"	466.37204	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+3H2O+2H"	56.04448
"1518043"	499.41459	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+IsoProp+H"	61.06479
"418455"	469.325988	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+Na+K"	61.952376
"776169"	688.500888	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+Na+K"	61.952376
"1672499"	250.151088	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Na+K"	61.952376
"261203"	940.715368	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+ACN+Na"	64.015768
"1233547"	502.365568	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+ACN+Na"	64.015768
"1721345"	502.389093	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+NH4+HCOOH"	64.039293
"1188156"	169.105818	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+3Na"	68.967654
"1660236"	507.344488	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Na+HCOOH"	68.994688
"165640"	953.61864	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+2K-H"	76.91904
"603377"	1391.96844	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+2K-H"	76.91904
"1090075"	515.26884	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2K-H"	76.91904
"144703"	477.312958	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"2M+2K"	77.926316
"582194"	696.487858	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"3M+2K"	77.926316
"1068852"	258.138058	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2K"	77.926316
"1103083"	517.283392	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2K+H"	78.933592
"1340563"	517.371007	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+DMSO+H"	79.021207
"1006656"	521.410176	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2ACN+H"	83.060376
"1533783"	522.403808	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+IsoProp+Na+H"	84.054008
"996950"	261.208726	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+2ACN+2H"	84.067652
"1602514"	523.318428	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+K+HCOOH"	84.968628
"1429635"	553.349938	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+H+CF3COOH"	115.000138
"1160527"	281.722001	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+3ACN+2H"	125.094202
"1703516"	570.376485	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+NH4+CF3COOH"	132.026685
"1639166"	575.33188	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+Na+CF3COOH"	136.98208
"1578098"	591.30582	"C21084"	"Demethylphylloquinol"	"C30H46O2"	"438.3498"	"M+K+CF3COOH"	152.95602
"808464"	182.0579	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M"	0
"978715"	163.03951	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H2O-H"	-19.01839
"68050"	120.364657333333	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-3H"	-3.021828
"508704"	181.050624	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-3H"	-3.021828
"886506"	59.6786906666667	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-3H"	-3.021828
"3988"	181.050624	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H"	-2.014552
"451204"	272.079574	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H"	-2.014552
"826819"	90.021674	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H"	-2.014552
"84625"	363.108524	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-H"	-1.007276
"532818"	545.166424	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-H"	-1.007276
"908916"	181.050624	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H"	-1.007276
"55270"	380.135071	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H+NH4"	16.019271
"490456"	562.192971	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H+NH4"	16.019271
"874821"	198.077171	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H+NH4"	16.019271
"35069"	385.090466	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H+Na"	20.974666
"477907"	567.148366	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H+Na"	20.974666
"852797"	203.032566	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H+Na"	20.974666
"1626346"	203.032566	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na-2H"	20.974666
"101779"	199.038963	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-H+Cl"	33.962126
"546807"	290.067913	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-H+Cl"	33.962126
"931575"	108.010013	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+Cl"	33.962126
"273413"	399.085202	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Cl"	34.969402
"670206"	581.143102	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+Cl"	34.969402
"1280425"	217.027302	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl"	34.969402
"29543"	401.064406	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M-2H+K"	36.948606
"470199"	583.122306	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M-2H+K"	36.948606
"843627"	219.006506	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-2H+K"	36.948606
"1570031"	219.006506	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K-2H"	36.948606
"955724"	227.056094	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+HCOOH"	44.998194
"376128"	409.114001	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+HCOOH-H"	44.998201
"354909"	423.129651	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Hac-H"	59.013851
"1499368"	241.071751	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Hac-H"	59.013851
"969099"	249.038051	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+NaCOOH"	66.980151
"120193"	217.027302	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2Cl"	69.938804
"563399"	308.056252	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2Cl"	69.938804
"1035846"	125.998352	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2Cl"	69.938804
"1256888"	260.976785	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Br"	78.918885
"1319217"	263.032772	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl+HCOOH"	80.974872
"1335293"	285.014729	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl+NaCOOH"	102.956829
"921323"	295.043486	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M-H+CF3COOH"	112.985586
"1302405"	331.020164	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Cl+CF3COOH"	148.962264
"1377287"	147.045224	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H-2H2O"	-35.012676
"1393690"	165.0552	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H-H2O"	-17.0027
"293377"	365.123076	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H"	1.007276
"680334"	547.180976	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H"	1.007276
"1356681"	183.065176	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H"	1.007276
"137225"	183.065176	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2H"	2.014552
"572411"	274.094126	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2H"	2.014552
"1041944"	92.036226	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2H"	2.014552
"207292"	122.379209333333	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+3H"	3.021828
"648311"	183.065176	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+3H"	3.021828
"1167893"	61.6932426666667	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+3H"	3.021828
"426790"	382.149623	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+NH4"	18.033823
"788881"	564.207523	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+NH4"	18.033823
"1684846"	200.091723	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+NH4"	18.033823
"333487"	191.5784495	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H+NH4"	19.041099
"729554"	282.6073995	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H+NH4"	19.041099
"1483009"	100.5494995	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+NH4"	19.041099
"395858"	387.105018	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Na"	22.989218
"758311"	569.162918	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+Na"	22.989218
"1607865"	205.047118	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na"	22.989218
"318633"	194.056147	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H+Na"	23.996494
"713604"	285.085097	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H+Na"	23.996494
"1467076"	103.027197	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+Na"	23.996494
"1064701"	69.0205566666667	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2H+Na"	25.00377
"1266379"	215.091386	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+CH3OH+H"	33.033486
"389329"	403.078958	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+K"	38.963158
"752884"	585.136858	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+K"	38.963158
"1554208"	221.021058	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K"	38.963158
"312843"	202.043117	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+H+K"	39.970434
"700896"	293.072067	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+H+K"	39.970434
"1456902"	111.014167	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+K"	39.970434
"246596"	406.149626	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+ACN+H"	42.033826
"1221494"	224.091726	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+ACN+H"	42.033826
"1206469"	112.549501	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+ACN+2H"	43.041102
"198247"	409.08696	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2Na-H"	44.97116
"642057"	591.14486	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2Na-H"	44.97116
"1143499"	227.02906	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2Na-H"	44.97116
"183507"	205.047118	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2Na"	45.978436
"621972"	296.076068	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2Na"	45.978436
"1118922"	114.018168	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2Na"	45.978436
"1407551"	76.3478706666667	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+2Na"	46.985712
"1438573"	229.070646	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+HCOOH"	47.012746
"228997"	210.08014	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+3H2O+2H"	56.04448
"1515598"	243.12269	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+H"	61.06479
"417836"	213.034088	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+Na+K"	61.952376
"776643"	304.063038	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+Na+K"	61.952376
"1670786"	122.005138	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na+K"	61.952376
"259127"	428.131568	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+ACN+Na"	64.015768
"1234021"	246.073668	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+ACN+Na"	64.015768
"1720724"	246.097193	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+NH4+HCOOH"	64.039293
"1188265"	83.6751846666667	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+3Na"	68.967654
"1657065"	251.052588	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na+HCOOH"	68.994688
"165020"	441.03484	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2K-H"	76.91904
"603486"	623.09274	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2K-H"	76.91904
"1086535"	258.97694	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2K-H"	76.91904
"144808"	221.021058	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"2M+2K"	77.926316
"584368"	312.050008	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"3M+2K"	77.926316
"1071427"	129.992108	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2K"	77.926316
"1104285"	260.991492	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2K+H"	78.933592
"1339576"	261.079107	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+DMSO+H"	79.021207
"1006646"	265.118276	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2ACN+H"	83.060376
"1529518"	266.111908	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+IsoProp+Na+H"	84.054008
"997060"	133.062776	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+2ACN+2H"	84.067652
"1591563"	267.026528	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K+HCOOH"	84.968628
"1427798"	297.058038	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+H+CF3COOH"	115.000138
"1155168"	153.576051	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+3ACN+2H"	125.094202
"1703626"	314.084585	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+NH4+CF3COOH"	132.026685
"1637090"	319.03998	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+Na+CF3COOH"	136.98208
"1578208"	335.01392	"C21085"	"3-(1E4R)-4-Hydroxycyclohex-2-en-1-ylidene-2-oxopropanoate"	"C9H10O4"	"182.0579"	"M+K+CF3COOH"	152.95602
"811855"	198.0528	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M"	0
"981013"	179.03441	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-H2O-H"	-19.01839
"68160"	131.027924	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M-3H"	-3.021828
"511002"	197.045524	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M-3H"	-3.021828
"886616"	65.010324	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-3H"	-3.021828
"1182"	197.045524	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M-2H"	-2.014552
"451314"	296.071924	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M-2H"	-2.014552
"826929"	98.019124	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-2H"	-2.014552
"84735"	395.098324	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M-H"	-1.007276
"533537"	593.151124	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M-H"	-1.007276
"909390"	197.045524	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-H"	-1.007276
"58660"	412.124871	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M-2H+NH4"	16.019271
"490566"	610.177671	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M-2H+NH4"	16.019271
"876997"	214.072071	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-2H+NH4"	16.019271
"36273"	417.080266	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M-2H+Na"	20.974666
"476924"	615.133066	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M-2H+Na"	20.974666
"853637"	219.027466	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-2H+Na"	20.974666
"1627550"	219.027466	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Na-2H"	20.974666
"101889"	215.033863	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M-H+Cl"	33.962126
"544730"	314.060263	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M-H+Cl"	33.962126
"937153"	116.007463	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-H+Cl"	33.962126
"275710"	431.075002	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+Cl"	34.969402
"670316"	629.127802	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+Cl"	34.969402
"1280535"	233.022202	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Cl"	34.969402
"20906"	433.054206	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M-2H+K"	36.948606
"467028"	631.107006	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M-2H+K"	36.948606
"842644"	235.001406	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-2H+K"	36.948606
"1565038"	235.001406	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+K-2H"	36.948606
"952918"	243.050994	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-H+HCOOH"	44.998194
"372228"	441.103801	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+HCOOH-H"	44.998201
"351740"	455.119451	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+Hac-H"	59.013851
"1497292"	257.066651	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Hac-H"	59.013851
"965929"	265.032951	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-H+NaCOOH"	66.980151
"120304"	233.022202	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+2Cl"	69.938804
"563145"	332.048602	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+2Cl"	69.938804
"1035470"	133.995802	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2Cl"	69.938804
"1255779"	276.971685	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Br"	78.918885
"1319082"	279.027672	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Cl+HCOOH"	80.974872
"1335118"	301.009629	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Cl+NaCOOH"	102.956829
"922527"	311.038386	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M-H+CF3COOH"	112.985586
"1302516"	347.015064	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Cl+CF3COOH"	148.962264
"1378491"	163.040124	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H-2H2O"	-35.012676
"1392707"	181.0501	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H-H2O"	-17.0027
"295672"	397.112876	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+H"	1.007276
"680445"	595.165676	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+H"	1.007276
"1354606"	199.060076	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H"	1.007276
"136242"	199.060076	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+2H"	2.014552
"573615"	298.086476	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+2H"	2.014552
"1038409"	100.033676	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2H"	2.014552
"206673"	133.042476	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+3H"	3.021828
"648057"	199.060076	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+3H"	3.021828
"1166180"	67.024876	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+3H"	3.021828
"427628"	414.139423	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+NH4"	18.033823
"789355"	612.192223	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+NH4"	18.033823
"1684227"	216.086623	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+NH4"	18.033823
"335055"	207.5733495	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+H+NH4"	19.041099
"725289"	306.5997495	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+H+NH4"	19.041099
"1481659"	108.5469495	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H+NH4"	19.041099
"394146"	419.094818	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+Na"	22.989218
"757327"	617.147618	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+Na"	22.989218
"1605060"	221.042018	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Na"	22.989218
"317284"	210.051047	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+H+Na"	23.996494
"711165"	309.077447	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+H+Na"	23.996494
"1466093"	111.024647	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H+Na"	23.996494
"1063718"	74.35219	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2H+Na"	25.00377
"1264303"	231.086286	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+CH3OH+H"	33.033486
"386159"	435.068758	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+K"	38.963158
"747157"	633.121558	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+K"	38.963158
"1549209"	237.015958	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+K"	38.963158
"312588"	218.038017	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+H+K"	39.970434
"706758"	317.064417	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+H+K"	39.970434
"1460941"	119.011617	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H+K"	39.970434
"249987"	438.139426	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+ACN+H"	42.033826
"1224884"	240.086626	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+ACN+H"	42.033826
"1208522"	120.546951	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+ACN+2H"	43.041102
"202730"	441.07676	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+2Na-H"	44.97116
"643381"	639.12956	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+2Na-H"	44.97116
"1143609"	243.02396	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2Na-H"	44.97116
"181428"	221.042018	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+2Na"	45.978436
"622082"	320.068418	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+2Na"	45.978436
"1125593"	122.015618	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2Na"	45.978436
"1409117"	81.679504	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H+2Na"	46.985712
"1439047"	245.065546	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H+HCOOH"	47.012746
"229835"	226.07504	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+3H2O+2H"	56.04448
"1514615"	259.11759	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+IsoProp+H"	61.06479
"418310"	229.028988	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+Na+K"	61.952376
"775295"	328.055388	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+Na+K"	61.952376
"1670896"	130.002588	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Na+K"	61.952376
"255958"	460.121368	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+ACN+Na"	64.015768
"1234131"	262.068568	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+ACN+Na"	64.015768
"1719738"	262.092093	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+NH4+HCOOH"	64.039293
"1186186"	89.006818	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+3Na"	68.967654
"1658268"	267.047488	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Na+HCOOH"	68.994688
"164036"	473.02464	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+2K-H"	76.91904
"602502"	671.07744	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+2K-H"	76.91904
"1085187"	274.97184	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2K-H"	76.91904
"143825"	237.015958	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"2M+2K"	77.926316
"584843"	336.042358	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"3M+2K"	77.926316
"1069353"	137.989558	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2K"	77.926316
"1101601"	276.986392	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2K+H"	78.933592
"1336648"	277.074007	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+DMSO+H"	79.021207
"1006028"	281.113176	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2ACN+H"	83.060376
"1530721"	282.106808	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+IsoProp+Na+H"	84.054008
"993890"	141.060226	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+2ACN+2H"	84.067652
"1591673"	283.021428	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+K+HCOOH"	84.968628
"1426815"	313.052938	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+H+CF3COOH"	115.000138
"1155278"	161.573501	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+3ACN+2H"	125.094202
"1707018"	330.079485	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+NH4+CF3COOH"	132.026685
"1640481"	335.03488	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+Na+CF3COOH"	136.98208
"1578318"	351.00882	"C21086"	"(3E)-3-(1R5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-ylidene-2-oxopropanoate;Epoxy-3E-H2HPP"	"C9H10O5"	"198.0528"	"M+K+CF3COOH"	152.95602
"815245"	200.0685	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M"	0
"982218"	181.05011	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-H2O-H"	-19.01839
"74833"	132.371724	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M-3H"	-3.021828
"515486"	199.061224	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M-3H"	-3.021828
"886728"	65.682224	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-3H"	-3.021828
"14539"	199.061224	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M-2H"	-2.014552
"451425"	299.095474	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M-2H"	-2.014552
"831539"	99.026974	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-2H"	-2.014552
"93721"	399.129724	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M-H"	-1.007276
"531455"	599.198224	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M-H"	-1.007276
"908650"	199.061224	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-H"	-1.007276
"58770"	416.156271	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M-2H+NH4"	16.019271
"492863"	616.224771	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M-2H+NH4"	16.019271
"877106"	216.087771	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-2H+NH4"	16.019271
"36748"	421.111666	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M-2H+Na"	20.974666
"479223"	621.180166	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M-2H+Na"	20.974666
"851194"	221.043166	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-2H+Na"	20.974666
"1625473"	221.043166	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Na-2H"	20.974666
"103094"	217.049563	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M-H+Cl"	33.962126
"540468"	317.083813	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M-H+Cl"	33.962126
"935077"	117.015313	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-H+Cl"	33.962126
"271446"	435.106402	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+Cl"	34.969402
"667147"	635.174902	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+Cl"	34.969402
"1278460"	235.037902	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Cl"	34.969402
"26486"	437.085606	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M-2H+K"	36.948606
"466047"	637.154106	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M-2H+K"	36.948606
"846035"	237.017106	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-2H+K"	36.948606
"1568429"	237.017106	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+K-2H"	36.948606
"957365"	245.066694	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-H+HCOOH"	44.998194
"375985"	445.135201	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+HCOOH-H"	44.998201
"359505"	459.150851	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+Hac-H"	59.013851
"1505057"	259.082351	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Hac-H"	59.013851
"959478"	267.048651	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-H+NaCOOH"	66.980151
"110694"	235.037902	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+2Cl"	69.938804
"553415"	335.072152	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+2Cl"	69.938804
"1025859"	135.003652	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2Cl"	69.938804
"1254915"	278.987385	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Br"	78.918885
"1318463"	281.043372	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Cl+HCOOH"	80.974872
"1334865"	303.025329	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Cl+NaCOOH"	102.956829
"921543"	313.054086	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M-H+CF3COOH"	112.985586
"1301898"	349.030764	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Cl+CF3COOH"	148.962264
"1381517"	165.055824	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H-2H2O"	-35.012676
"1395733"	183.0658	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H-H2O"	-17.0027
"295783"	401.144276	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+H"	1.007276
"683835"	601.212776	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+H"	1.007276
"1356902"	201.075776	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H"	1.007276
"136351"	201.075776	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+2H"	2.014552
"574818"	301.110026	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+2H"	2.014552
"1039979"	101.041526	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2H"	2.014552
"206420"	134.386276	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+3H"	3.021828
"648898"	201.075776	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+3H"	3.021828
"1167747"	67.696776	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+3H"	3.021828
"426280"	418.170823	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+NH4"	18.033823
"787641"	618.239323	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+NH4"	18.033823
"1683972"	218.102323	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+NH4"	18.033823
"334072"	209.5890495	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+H+NH4"	19.041099
"727221"	309.6232995	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+H+NH4"	19.041099
"1479946"	109.5547995	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H+NH4"	19.041099
"397536"	423.126218	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+Na"	22.989218
"757441"	623.194718	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+Na"	22.989218
"1607358"	223.057718	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Na"	22.989218
"317030"	212.066747	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+H+Na"	23.996494
"712369"	312.100997	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+H+Na"	23.996494
"1461331"	112.032497	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H+Na"	23.996494
"1053038"	75.02409	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2H+Na"	25.00377
"1270974"	233.101986	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+CH3OH+H"	33.033486
"391736"	439.100158	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+K"	38.963158
"747267"	639.168658	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+K"	38.963158
"1552599"	239.031658	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+K"	38.963158
"312334"	220.053717	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+H+K"	39.970434
"706217"	320.087967	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+H+K"	39.970434
"1460767"	120.019467	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H+K"	39.970434
"249733"	442.170826	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+ACN+H"	42.033826
"1224629"	242.102326	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+ACN+H"	42.033826
"1209119"	121.554801	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+ACN+2H"	43.041102
"203449"	445.10816	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+2Na-H"	44.97116
"642886"	645.17666	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+2Na-H"	44.97116
"1143355"	245.03966	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2Na-H"	44.97116
"181538"	223.057718	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+2Na"	45.978436
"622193"	323.091968	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+2Na"	45.978436
"1125703"	123.023468	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2Na"	45.978436
"1409227"	82.351404	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H+2Na"	46.985712
"1440616"	247.081246	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H+HCOOH"	47.012746
"229218"	228.09074	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+3H2O+2H"	56.04448
"1514725"	261.13329	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+IsoProp+H"	61.06479
"416598"	231.044688	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+Na+K"	61.952376
"777592"	331.078938	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+Na+K"	61.952376
"1669913"	131.010438	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Na+K"	61.952376
"256069"	464.152768	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+ACN+Na"	64.015768
"1230965"	264.084268	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+ACN+Na"	64.015768
"1716931"	264.107793	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+NH4+HCOOH"	64.039293
"1186298"	89.678718	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+3Na"	68.967654
"1656193"	269.063188	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Na+HCOOH"	68.994688
"163053"	477.05604	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+2K-H"	76.91904
"602613"	677.12454	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+2K-H"	76.91904
"1084936"	276.98754	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2K-H"	76.91904
"145028"	239.031658	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"2M+2K"	77.926316
"584589"	339.065908	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"3M+2K"	77.926316
"1069343"	138.997408	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2K"	77.926316
"1103413"	279.002092	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2K+H"	78.933592
"1337611"	279.089707	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+DMSO+H"	79.021207
"1007233"	283.128876	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2ACN+H"	83.060376
"1526454"	284.122508	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+IsoProp+Na+H"	84.054008
"990832"	142.068076	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+2ACN+2H"	84.067652
"1595066"	285.037128	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+K+HCOOH"	84.968628
"1420724"	315.068638	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+H+CF3COOH"	115.000138
"1159400"	162.581351	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+3ACN+2H"	125.094202
"1707128"	332.095185	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+NH4+CF3COOH"	132.026685
"1640591"	337.05058	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+Na+CF3COOH"	136.98208
"1578429"	353.02452	"C21087"	"3-(1R2S5R6S)-5-Hydroxy-7-oxabicyclo410heptan-2-yl-2-oxopropanoate;Epoxy-4S-H4HPP"	"C9H12O5"	"200.0685"	"M+K+CF3COOH"	152.95602
"814991"	210.0376	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M"	0
"985608"	191.01921	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-H2O-H"	-19.01839
"74943"	139.017790666667	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M-3H"	-3.021828
"512316"	209.030324	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M-3H"	-3.021828
"887931"	69.0052573333333	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-3H"	-3.021828
"14039"	209.030324	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M-2H"	-2.014552
"451534"	314.049124	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M-2H"	-2.014552
"829337"	104.011524	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-2H"	-2.014552
"90423"	419.067924	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M-H"	-1.007276
"531077"	629.105524	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M-H"	-1.007276
"906692"	209.030324	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-H"	-1.007276
"55600"	436.094471	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M-2H+NH4"	16.019271
"487869"	646.132071	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M-2H+NH4"	16.019271
"874057"	226.056871	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-2H+NH4"	16.019271
"36129"	441.049866	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M-2H+Na"	20.974666
"477146"	651.087466	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M-2H+Na"	20.974666
"850210"	231.012266	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-2H+Na"	20.974666
"1626676"	231.012266	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Na-2H"	20.974666
"102111"	227.018663	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M-H+Cl"	33.962126
"540579"	332.037463	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M-H+Cl"	33.962126
"930814"	121.999863	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-H+Cl"	33.962126
"272649"	455.044602	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+Cl"	34.969402
"666164"	665.082202	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+Cl"	34.969402
"1276383"	245.007002	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Cl"	34.969402
"23314"	457.023806	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M-2H+K"	36.948606
"468343"	667.061406	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M-2H+K"	36.948606
"846145"	246.986206	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-2H+K"	36.948606
"1567446"	246.986206	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+K-2H"	36.948606
"953142"	255.035794	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-H+HCOOH"	44.998194
"372451"	465.073401	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+HCOOH-H"	44.998201
"357427"	479.089051	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+Hac-H"	59.013851
"1501887"	269.051451	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Hac-H"	59.013851
"959587"	277.017751	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-H+NaCOOH"	66.980151
"111409"	245.007002	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+2Cl"	69.938804
"553889"	350.025802	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+2Cl"	69.938804
"1029980"	139.988202	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2Cl"	69.938804
"1255754"	288.956485	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Br"	78.918885
"1318450"	291.012472	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Cl+HCOOH"	80.974872
"1335217"	312.994429	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Cl+NaCOOH"	102.956829
"920561"	323.023186	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M-H+CF3COOH"	112.985586
"1301642"	358.999864	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Cl+CF3COOH"	148.962264
"1378712"	175.024924	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H-2H2O"	-35.012676
"1395115"	193.0349	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H-H2O"	-17.0027
"297959"	421.082476	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+H"	1.007276
"681758"	631.120076	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+H"	1.007276
"1358107"	211.044876	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H"	1.007276
"136461"	211.044876	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+2H"	2.014552
"572013"	316.063676	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+2H"	2.014552
"1040453"	106.026076	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2H"	2.014552
"207987"	141.032342666667	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+3H"	3.021828
"649007"	211.044876	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+3H"	3.021828
"1167128"	71.0198093333333	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+3H"	3.021828
"426391"	438.109023	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+NH4"	18.033823
"787751"	648.146623	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+NH4"	18.033823
"1683353"	228.071423	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+NH4"	18.033823
"333089"	219.5581495	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+H+NH4"	19.041099
"725509"	324.5769495	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+H+NH4"	19.041099
"1491361"	114.5393495	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H+NH4"	19.041099
"396919"	443.064418	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+Na"	22.989218
"758644"	653.102018	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+Na"	22.989218
"1606012"	233.026818	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Na"	22.989218
"318235"	222.035847	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+H+Na"	23.996494
"712479"	327.054647	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+H+Na"	23.996494
"1461607"	117.017047	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H+Na"	23.996494
"1053352"	78.3471233333333	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2H+Na"	25.00377
"1266711"	243.071086	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+CH3OH+H"	33.033486
"388566"	459.038358	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+K"	38.963158
"747377"	669.075958	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+K"	38.963158
"1551252"	249.000758	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+K"	38.963158
"312444"	230.022817	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+H+K"	39.970434
"706326"	335.041617	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+H+K"	39.970434
"1460837"	125.004017	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H+K"	39.970434
"250454"	462.109026	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+ACN+H"	42.033826
"1224858"	252.071426	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+ACN+H"	42.033826
"1208256"	126.539351	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+ACN+2H"	43.041102
"200758"	465.04636	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+2Na-H"	44.97116
"642874"	675.08396	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+2Na-H"	44.97116
"1145040"	255.00876	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2Na-H"	44.97116
"180555"	233.026818	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+2Na"	45.978436
"622302"	338.045618	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+2Na"	45.978436
"1129095"	128.008018	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2Na"	45.978436
"1410432"	85.6744373333333	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H+2Na"	46.985712
"1440726"	257.050346	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H+HCOOH"	47.012746
"230785"	238.05984	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+3H2O+2H"	56.04448
"1518116"	271.10239	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+IsoProp+H"	61.06479
"418530"	241.013788	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+Na+K"	61.952376
"777702"	346.032588	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+Na+K"	61.952376
"1668566"	135.994988	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Na+K"	61.952376
"255086"	484.090968	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+ACN+Na"	64.015768
"1229982"	274.053368	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+ACN+Na"	64.015768
"1717775"	274.076893	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+NH4+HCOOH"	64.039293
"1184222"	93.0017513333333	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+3Na"	68.967654
"1656303"	279.032288	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Na+HCOOH"	68.994688
"160976"	496.99424	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+2K-H"	76.91904
"602724"	707.03184	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+2K-H"	76.91904
"1085001"	286.95664	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2K-H"	76.91904
"142224"	249.000758	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"2M+2K"	77.926316
"582270"	354.019558	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"3M+2K"	77.926316
"1071398"	143.981958	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2K"	77.926316
"1102430"	288.971192	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2K+H"	78.933592
"1337721"	289.058807	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+DMSO+H"	79.021207
"1006371"	293.097976	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2ACN+H"	83.060376
"1526564"	294.091608	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+IsoProp+Na+H"	84.054008
"990456"	147.052626	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+2ACN+2H"	84.067652
"1596269"	295.006228	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+K+HCOOH"	84.968628
"1420834"	325.037738	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+H+CF3COOH"	115.000138
"1160966"	167.565901	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+3ACN+2H"	125.094202
"1707238"	342.064285	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+NH4+CF3COOH"	132.026685
"1640701"	347.01968	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+Na+CF3COOH"	136.98208
"1578539"	362.99362	"C21088"	"L-Altarate;L-Talarate;(2R3R4S5R)-2345-Tetrahydroxyhexanedioate"	"C6H10O8"	"210.0376"	"M+K+CF3COOH"	152.95602
"815465"	881.1833	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M"	0
"985718"	862.16491	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H2O-H"	-19.01839
"73960"	586.448257333333	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-3H"	-3.021828
"512426"	880.176024	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-3H"	-3.021828
"888041"	292.720490666667	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-3H"	-3.021828
"13906"	880.176024	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H"	-2.014552
"451644"	1320.767674	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H"	-2.014552
"829447"	439.584374	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H"	-2.014552
"91626"	1761.359324	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-H"	-1.007276
"531187"	2642.542624	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-H"	-1.007276
"904614"	880.176024	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H"	-1.007276
"52428"	1778.385871	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H+NH4"	16.019271
"493081"	2659.569171	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H+NH4"	16.019271
"870887"	897.202571	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H+NH4"	16.019271
"36604"	1783.341266	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H+Na"	20.974666
"477256"	2664.524566	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H+Na"	20.974666
"850684"	902.157966	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H+Na"	20.974666
"1627879"	902.157966	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na-2H"	20.974666
"102221"	898.164363	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-H+Cl"	33.962126
"542874"	1338.756013	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-H+Cl"	33.962126
"936389"	457.572713	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+Cl"	33.962126
"272758"	1797.336002	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Cl"	34.969402
"667367"	2678.519302	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+Cl"	34.969402
"1274548"	916.152702	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl"	34.969402
"21237"	1799.315206	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M-2H+K"	36.948606
"465173"	2680.498506	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M-2H+K"	36.948606
"841882"	918.131906	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-2H+K"	36.948606
"1567556"	918.131906	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K-2H"	36.948606
"949972"	926.181494	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+HCOOH"	44.998194
"373654"	1807.364801	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+HCOOH-H"	44.998201
"354257"	1821.380451	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Hac-H"	59.013851
"1501997"	940.197151	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Hac-H"	59.013851
"959816"	948.163451	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+NaCOOH"	66.980151
"112249"	916.152702	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2Cl"	69.938804
"552540"	1356.744352	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2Cl"	69.938804
"1025715"	475.561052	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2Cl"	69.938804
"1249668"	960.102185	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Br"	78.918885
"1319406"	962.158172	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl+HCOOH"	80.974872
"1333622"	984.140129	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl+NaCOOH"	102.956829
"920669"	994.168886	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M-H+CF3COOH"	112.985586
"1300658"	1030.145564	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Cl+CF3COOH"	148.962264
"1374447"	846.170624	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H-2H2O"	-35.012676
"1393038"	864.1806	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H-H2O"	-17.0027
"296004"	1763.373876	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H"	1.007276
"678588"	2644.557176	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H"	1.007276
"1352384"	882.190576	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H"	1.007276
"138758"	882.190576	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2H"	2.014552
"578319"	1322.782226	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2H"	2.014552
"1048211"	441.598926	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2H"	2.014552
"211739"	588.462809333333	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+3H"	3.021828
"648751"	882.190576	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+3H"	3.021828
"1167238"	294.735042666667	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+3H"	3.021828
"426137"	1780.400423	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+NH4"	18.033823
"787133"	2661.583723	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+NH4"	18.033823
"1682371"	899.217123	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+NH4"	18.033823
"333199"	890.7038495	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H+NH4"	19.041099
"725620"	1331.2954995	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H+NH4"	19.041099
"1490012"	450.1121995	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+NH4"	19.041099
"395936"	1785.355818	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Na"	22.989218
"757661"	2666.539118	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+Na"	22.989218
"1606850"	904.172518	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na"	22.989218
"320167"	893.181547	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H+Na"	23.996494
"713682"	1333.773197	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H+Na"	23.996494
"1461721"	452.589897	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+Na"	23.996494
"1054070"	302.062356666667	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2H+Na"	25.00377
"1263540"	914.216786	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+CH3OH+H"	33.033486
"386489"	1801.329758	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+K"	38.963158
"744206"	2682.513058	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+K"	38.963158
"1549539"	920.146458	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K"	38.963158
"302341"	901.168517	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+H+K"	39.970434
"705346"	1341.760167	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+H+K"	39.970434
"1460141"	460.576867	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+K"	39.970434
"249717"	1804.400426	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+ACN+H"	42.033826
"1223753"	923.217126	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+ACN+H"	42.033826
"1208002"	462.112201	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+ACN+2H"	43.041102
"202691"	1807.33776	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2Na-H"	44.97116
"642618"	2688.52106	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2Na-H"	44.97116
"1143933"	926.15446	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2Na-H"	44.97116
"179572"	904.172518	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2Na"	45.978436
"621319"	1344.764168	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2Na"	45.978436
"1128721"	463.580868	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2Na"	45.978436
"1409085"	309.389670666667	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+2Na"	46.985712
"1441930"	928.196046	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+HCOOH"	47.012746
"226885"	909.20554	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+3H2O+2H"	56.04448
"1518226"	942.24809	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+IsoProp+H"	61.06479
"415723"	912.159488	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+Na+K"	61.952376
"777812"	1352.751138	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+Na+K"	61.952376
"1670862"	471.567838	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na+K"	61.952376
"259566"	1826.382368	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+ACN+Na"	64.015768
"1231185"	945.199068	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+ACN+Na"	64.015768
"1718977"	945.222593	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+NH4+HCOOH"	64.039293
"1186516"	316.716984666667	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+3Na"	68.967654
"1654221"	950.177988	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na+HCOOH"	68.994688
"162178"	1839.28564	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2K-H"	76.91904
"601738"	2720.46894	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2K-H"	76.91904
"1085154"	958.10234	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2K-H"	76.91904
"146342"	920.146458	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"2M+2K"	77.926316
"582988"	1360.738108	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"3M+2K"	77.926316
"1072601"	479.554808	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2K"	77.926316
"1102540"	960.116892	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2K+H"	78.933592
"1337831"	960.204507	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+DMSO+H"	79.021207
"1007574"	964.243676	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2ACN+H"	83.060376
"1528860"	965.237308	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+IsoProp+Na+H"	84.054008
"990688"	482.625476	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+2ACN+2H"	84.067652
"1596379"	966.151928	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K+HCOOH"	84.968628
"1417665"	996.183438	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+H+CF3COOH"	115.000138
"1160712"	503.138751	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+3ACN+2H"	125.094202
"1707348"	1013.209985	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+NH4+CF3COOH"	132.026685
"1640811"	1018.16538	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+Na+CF3COOH"	136.98208
"1578649"	1034.13932	"C21089"	"(R)-2-Hydroxyisocaproyl-CoA;(R)-2-Hydroxy-4-methylpentanoyl-CoA"	"C27H46N7O18P3S"	"881.1833"	"M+K+CF3COOH"	152.95602
"815211"	863.1727	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M"	0
"985828"	844.15431	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H2O-H"	-19.01839
"75163"	574.441190666667	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-3H"	-3.021828
"512536"	862.165424	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-3H"	-3.021828
"890338"	286.716957333333	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-3H"	-3.021828
"15442"	862.165424	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H"	-2.014552
"454185"	1293.751774	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H"	-2.014552
"829557"	430.579074	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H"	-2.014552
"91736"	1725.338124	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-H"	-1.007276
"531297"	2588.510824	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-H"	-1.007276
"903631"	862.165424	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H"	-1.007276
"52538"	1742.364671	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H+NH4"	16.019271
"493191"	2605.537371	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H+NH4"	16.019271
"867717"	879.191971	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H+NH4"	16.019271
"35255"	1747.320066	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H+Na"	20.974666
"475179"	2610.492766	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H+Na"	20.974666
"851523"	884.147366	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H+Na"	20.974666
"1627990"	884.147366	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na-2H"	20.974666
"103425"	880.153763	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-H+Cl"	33.962126
"542984"	1311.740113	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-H+Cl"	33.962126
"938685"	448.567413	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+Cl"	33.962126
"272868"	1761.314802	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Cl"	34.969402
"669664"	2624.487502	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+Cl"	34.969402
"1275265"	898.142102	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl"	34.969402
"23533"	1763.294006	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M-2H+K"	36.948606
"460910"	2626.466706	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M-2H+K"	36.948606
"845272"	900.121306	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-2H+K"	36.948606
"1564386"	900.121306	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K-2H"	36.948606
"952269"	908.170894	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+HCOOH"	44.998194
"372670"	1771.343601	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+HCOOH-H"	44.998201
"352180"	1785.359251	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Hac-H"	59.013851
"1499921"	922.186551	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Hac-H"	59.013851
"968556"	930.152851	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+NaCOOH"	66.980151
"118557"	898.142102	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2Cl"	69.938804
"554835"	1329.728452	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2Cl"	69.938804
"1025825"	466.555752	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2Cl"	69.938804
"1248686"	942.091585	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Br"	78.918885
"1311134"	944.147572	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl+HCOOH"	80.974872
"1333004"	966.129529	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl+NaCOOH"	102.956829
"919686"	976.158286	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M-H+CF3COOH"	112.985586
"1300768"	1012.134964	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Cl+CF3COOH"	148.962264
"1375651"	828.160024	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H-2H2O"	-35.012676
"1390960"	846.17	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H-H2O"	-17.0027
"292833"	1727.352676	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H"	1.007276
"676509"	2590.525376	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H"	1.007276
"1354316"	864.179976	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H"	1.007276
"133401"	864.179976	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2H"	2.014552
"577335"	1295.766326	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2H"	2.014552
"1046134"	432.593626	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2H"	2.014552
"207108"	576.455742666667	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+3H"	3.021828
"646670"	864.179976	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+3H"	3.021828
"1163703"	288.731509333333	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+3H"	3.021828
"425394"	1744.379223	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+NH4"	18.033823
"786996"	2607.551923	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+NH4"	18.033823
"1683939"	881.206523	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+NH4"	18.033823
"330877"	872.6932495	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H+NH4"	19.041099
"724512"	1304.2795995	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H+NH4"	19.041099
"1483562"	441.1068995	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+NH4"	19.041099
"394946"	1749.334618	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Na"	22.989218
"755703"	2612.507318	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+Na"	22.989218
"1604526"	886.161918	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na"	22.989218
"315903"	875.170947	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H+Na"	23.996494
"710145"	1306.757297	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H+Na"	23.996494
"1461545"	443.584597	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+Na"	23.996494
"1053208"	296.058823333333	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2H+Na"	25.00377
"1261463"	896.206186	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+CH3OH+H"	33.033486
"383319"	1765.308558	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+K"	38.963158
"744314"	2628.481258	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+K"	38.963158
"1544177"	902.135858	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K"	38.963158
"302451"	883.157917	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+H+K"	39.970434
"705943"	1314.744267	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+H+K"	39.970434
"1459890"	451.571567	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+K"	39.970434
"249950"	1768.379226	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+ACN+H"	42.033826
"1223863"	905.206526	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+ACN+H"	42.033826
"1209206"	453.106901	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+ACN+2H"	43.041102
"202680"	1771.31656	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2Na-H"	44.97116
"641999"	2634.48926	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2Na-H"	44.97116
"1140763"	908.14386	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2Na-H"	44.97116
"185150"	886.161918	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2Na"	45.978436
"621429"	1317.748268	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2Na"	45.978436
"1127493"	454.575568	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2Na"	45.978436
"1410652"	303.386137333333	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+2Na"	46.985712
"1443134"	910.185446	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+HCOOH"	47.012746
"230276"	891.19494	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+3H2O+2H"	56.04448
"1521617"	924.23749	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+IsoProp+H"	61.06479
"419114"	894.148888	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+Na+K"	61.952376
"782297"	1325.735238	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+Na+K"	61.952376
"1675346"	462.562538	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na+K"	61.952376
"259677"	1790.361168	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+ACN+Na"	64.015768
"1233481"	927.188468	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+ACN+Na"	64.015768
"1719088"	927.211993	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+NH4+HCOOH"	64.039293
"1185533"	310.713451333333	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+3Na"	68.967654
"1654332"	932.167388	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na+HCOOH"	68.994688
"162288"	1803.26444	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2K-H"	76.91904
"601848"	2666.43714	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2K-H"	76.91904
"1085140"	940.09174	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2K-H"	76.91904
"144266"	902.135858	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"2M+2K"	77.926316
"582121"	1333.722208	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"3M+2K"	77.926316
"1070525"	470.549508	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2K"	77.926316
"1102650"	942.106292	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2K+H"	78.933592
"1337941"	942.193907	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+DMSO+H"	79.021207
"1009750"	946.233076	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2ACN+H"	83.060376
"1528970"	947.226708	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+IsoProp+Na+H"	84.054008
"992136"	473.620176	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+2ACN+2H"	84.067652
"1595396"	948.141328	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K+HCOOH"	84.968628
"1418868"	978.172838	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+H+CF3COOH"	115.000138
"1161186"	494.133451	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+3ACN+2H"	125.094202
"1711833"	995.199385	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+NH4+CF3COOH"	132.026685
"1646390"	1000.15478	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+Na+CF3COOH"	136.98208
"1578759"	1016.12872	"C21090"	"Isocaprenoyl-CoA;(E)-2-Isocaprenoyl-CoA;4-Methylpent-2-enoyl-CoA"	"C27H44N7O17P3S"	"863.1727"	"M+K+CF3COOH"	152.95602
"815685"	192.027	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M"	0
"985938"	173.00861	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"75273"	127.010724	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"512646"	191.019724	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"887168"	63.001724	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"7929"	191.019724	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"451864"	287.033224	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"829667"	95.006224	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"91482"	383.046724	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"529220"	575.073724	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"903741"	191.019724	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"53741"	400.073271	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"499862"	592.100271	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"870013"	208.046271	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"34272"	405.028666	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"476383"	597.055666	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"850054"	213.001666	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1631379"	213.001666	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"106815"	209.008063	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"546373"	305.021563	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"939888"	112.994563	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"276259"	419.023402	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"669774"	611.050402	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1277441"	226.996402	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"26923"	421.002606	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"463207"	613.029606	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"839915"	228.975606	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1567776"	228.975606	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"956753"	237.025194	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"375696"	429.052201	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"352654"	443.067851	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1502217"	251.040851	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"971946"	259.007151	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"118667"	226.996402	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"560416"	323.009902	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1034683"	130.982902	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1249889"	270.945885	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1313431"	273.001872	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1333114"	294.983829	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"917607"	305.012586	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1295411"	340.989264	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1373574"	157.014324	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1393256"	175.0243	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"294036"	385.061276	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"684275"	577.088276	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1360623"	193.034276	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H"	1.007276
"139708"	193.034276	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"575258"	289.047776	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1044423"	97.020776	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"209043"	129.025276	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"648602"	193.034276	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1165272"	65.016276	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"427086"	402.087823	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"788446"	594.114823	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1683686"	210.060823	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"332692"	201.5475495	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"724384"	297.5610495	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1483669"	105.5340495	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"395059"	407.043218	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"756057"	599.070218	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1605124"	215.016218	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"316375"	204.025247	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"709526"	300.038747	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1462992"	108.011747	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1054780"	72.34359	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1258286"	225.060486	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"383428"	423.017158	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"745515"	615.044158	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1544651"	230.990158	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+K"	38.963158
"302561"	212.012217	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"706296"	308.025717	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1461090"	115.998717	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"249080"	426.087826	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1222148"	234.060826	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1204937"	117.534051	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"196713"	429.02516	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"641742"	621.05216	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1139780"	236.99816	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"180882"	215.016218	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"621539"	311.029718	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1127966"	119.002718	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1409666"	79.670904	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1431944"	239.039746	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"229292"	220.04924	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1515167"	253.09179	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"415946"	223.003188	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"774753"	319.016688	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1673268"	126.989688	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"256506"	448.069768	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1234684"	256.042768	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1719195"	256.066293	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1183815"	86.998218	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1658817"	261.021688	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"160572"	460.97304	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"602315"	653.00004	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1084885"	268.94604	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"144010"	230.990158	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"582234"	327.003658	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1069905"	134.976658	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1108229"	270.960592	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1338536"	271.048207	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1010955"	275.087376	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1529080"	276.081008	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"992611"	138.047326	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1599880"	276.995628	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1421166"	307.027138	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1158016"	158.560601	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1709756"	324.053685	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1646499"	329.00908	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1578869"	344.98302	"C21091"	"(2S3R)-23-Dihydroxy-5-oxohexanedioate;3-Deoxy-D-threo-hex-2-ulosarate"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"802672"	131.0946	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M"	0
"974214"	112.07621	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"64445"	86.389124	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"504128"	130.087324	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"886182"	42.690924	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"8037"	130.087324	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"446504"	195.634624	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"823212"	64.540024	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"84297"	261.181924	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"520577"	392.276524	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"897284"	130.087324	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"51660"	278.208471	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"489033"	409.303071	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"870123"	147.113871	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"32924"	283.163866	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"474670"	414.258466	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"849110"	152.069266	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1631490"	152.069266	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"109111"	148.075663	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"546483"	213.622963	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"939998"	82.528363	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"276371"	297.158602	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"669884"	428.253202	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1276822"	166.064002	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"21567"	299.137806	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"462224"	430.232406	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"836745"	168.043206	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1569345"	168.043206	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"957473"	176.092794	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"375443"	307.187401	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"352400"	321.203051	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1499775"	190.108451	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"969142"	198.074751	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"115497"	166.064002	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"558340"	231.611302	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1026047"	100.516702	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1246719"	210.013485	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1308074"	212.069472	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1329944"	234.051429	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"912250"	244.080186	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1292241"	280.056864	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1370403"	96.081924	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1393366"	114.0919	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"294146"	263.196476	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"681105"	394.291076	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1353443"	132.101876	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"134715"	132.101876	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"576461"	197.649176	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1050001"	66.554576	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"207695"	88.403676	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"647984"	132.101876	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1163924"	44.705476	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"425374"	280.223023	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"788556"	411.317623	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1684160"	149.128423	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"333532"	140.6151495	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"724130"	206.1624495	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1480499"	75.0678495	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"394805"	285.178418	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"755803"	416.273018	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1604993"	154.083818	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"314703"	143.092847	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"710732"	208.640147	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1461477"	77.545547	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1053104"	52.03279	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1260587"	164.128086	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"386817"	301.152358	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"745625"	432.246958	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1541481"	170.057758	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"304855"	151.079817	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"703852"	216.627117	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1459858"	85.532517	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"250161"	304.223026	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1222258"	173.128426	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1206140"	87.067851	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"195730"	307.16036	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"639665"	438.25496	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1139890"	176.06576	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"180992"	154.083818	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"620554"	219.631118	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1128440"	88.536518	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1409777"	59.360104	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1432418"	178.107346	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"226122"	159.11684	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1515277"	192.15939	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"416056"	162.070788	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"775956"	227.618088	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1672285"	96.523488	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"256616"	326.204968	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1233701"	195.110368	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1719305"	195.133893	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1182832"	66.687418	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1656741"	200.089288	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"159346"	339.10824	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"599631"	470.20284	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1084753"	208.01364	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"141809"	170.057758	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"581737"	235.605058	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1069408"	104.510458	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1108340"	210.028192	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1339618"	210.115807	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1015439"	214.154976	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1528097"	215.148608	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"993085"	107.581126	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1597802"	216.063228	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1424556"	246.094738	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1148283"	128.094401	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1708771"	263.121285	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1646609"	268.07668	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1578979"	284.05062	"C21092"	"D-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"806062"	364.1886	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M"	0
"982873"	345.17021	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-H2O-H"	-19.01839
"72208"	241.785124	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M-3H"	-3.021828
"515050"	363.181324	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M-3H"	-3.021828
"887385"	120.388924	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-3H"	-3.021828
"13249"	363.181324	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M-2H"	-2.014552
"446614"	545.275624	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M-2H"	-2.014552
"822229"	181.087024	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-2H"	-2.014552
"83314"	727.369924	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M-H"	-1.007276
"521051"	1091.558524	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M-H"	-1.007276
"896543"	363.181324	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-H"	-1.007276
"53957"	744.396471	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M-2H+NH4"	16.019271
"489508"	1108.585071	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M-2H+NH4"	16.019271
"869140"	380.207871	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-2H+NH4"	16.019271
"33762"	749.351866	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M-2H+Na"	20.974666
"476601"	1113.540466	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M-2H+Na"	20.974666
"850394"	385.163266	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-2H+Na"	20.974666
"1619078"	385.163266	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Na-2H"	20.974666
"104848"	381.169663	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M-H+Cl"	33.962126
"545500"	563.263963	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M-H+Cl"	33.962126
"934640"	199.075363	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-H+Cl"	33.962126
"276481"	763.346602	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+Cl"	34.969402
"669994"	1127.535202	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+Cl"	34.969402
"1275110"	399.158002	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Cl"	34.969402
"20584"	765.325806	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M-2H+K"	36.948606
"465614"	1129.514406	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M-2H+K"	36.948606
"833086"	401.137206	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-2H+K"	36.948606
"1566903"	401.137206	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+K-2H"	36.948606
"957338"	409.186794	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-H+HCOOH"	44.998194
"374093"	773.375401	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+HCOOH-H"	44.998201
"352510"	787.391051	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+Hac-H"	59.013851
"1503531"	423.202451	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Hac-H"	59.013851
"964512"	431.168751	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-H+NaCOOH"	66.980151
"115607"	399.158002	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+2Cl"	69.938804
"557356"	581.252302	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+2Cl"	69.938804
"1026157"	217.063702	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2Cl"	69.938804
"1241764"	443.107485	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Br"	78.918885
"1307089"	445.163472	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Cl+HCOOH"	80.974872
"1327865"	467.145429	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Cl+NaCOOH"	102.956829
"912724"	477.174186	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M-H+CF3COOH"	112.985586
"1289313"	513.150864	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Cl+CF3COOH"	148.962264
"1367475"	329.175924	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H-2H2O"	-35.012676
"1390196"	347.1859	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H-H2O"	-17.0027
"286602"	729.384476	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+H"	1.007276
"681215"	1093.573076	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+H"	1.007276
"1352095"	365.195876	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H"	1.007276
"134825"	365.195876	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+2H"	2.014552
"579852"	547.290176	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+2H"	2.014552
"1049383"	183.101576	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2H"	2.014552
"205251"	243.799676	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+3H"	3.021828
"647001"	365.195876	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+3H"	3.021828
"1164397"	122.403476	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+3H"	3.021828
"425484"	746.411023	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+NH4"	18.033823
"787572"	1110.599623	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+NH4"	18.033823
"1684269"	382.222423	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+NH4"	18.033823
"332183"	373.7091495	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+H+NH4"	19.041099
"724969"	555.8034495	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+H+NH4"	19.041099
"1481704"	191.6148495	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H+NH4"	19.041099
"398196"	751.366418	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+Na"	22.989218
"755913"	1115.555018	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+Na"	22.989218
"1603404"	387.177818	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Na"	22.989218
"317329"	376.186847	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+H+Na"	23.996494
"710114"	558.281147	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+H+Na"	23.996494
"1461426"	194.092547	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H+Na"	23.996494
"1052928"	129.73079	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2H+Na"	25.00377
"1259967"	397.222086	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+CH3OH+H"	33.033486
"386926"	767.340358	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+K"	38.963158
"745735"	1131.528958	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+K"	38.963158
"1544507"	403.151758	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+K"	38.963158
"304965"	384.173817	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+H+K"	39.970434
"706801"	566.268117	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+H+K"	39.970434
"1459967"	202.079517	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H+K"	39.970434
"250513"	770.411026	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+ACN+H"	42.033826
"1222368"	406.222426	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+ACN+H"	42.033826
"1201874"	203.614851	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+ACN+2H"	43.041102
"194745"	773.34836	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+2Na-H"	44.97116
"638682"	1137.53696	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+2Na-H"	44.97116
"1137812"	409.15976	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2Na-H"	44.97116
"180008"	387.177818	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+2Na"	45.978436
"620664"	569.272118	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+2Na"	45.978436
"1127457"	205.083518	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2Na"	45.978436
"1409886"	137.058104	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H+2Na"	46.985712
"1433621"	411.201346	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H+HCOOH"	47.012746
"229512"	392.21084	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+3H2O+2H"	56.04448
"1515387"	425.25339	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+IsoProp+H"	61.06479
"417260"	395.164788	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+Na+K"	61.952376
"776066"	577.259088	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+Na+K"	61.952376
"1671302"	213.070488	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Na+K"	61.952376
"256726"	792.392968	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+ACN+Na"	64.015768
"1231623"	428.204368	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+ACN+Na"	64.015768
"1719415"	428.227893	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+NH4+HCOOH"	64.039293
"1184764"	144.385418	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+3Na"	68.967654
"1655758"	433.183288	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Na+HCOOH"	68.994688
"159336"	805.29624	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+2K-H"	76.91904
"601079"	1169.48484	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+2K-H"	76.91904
"1086687"	441.10764	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2K-H"	76.91904
"141674"	403.151758	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"2M+2K"	77.926316
"585255"	585.246058	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"3M+2K"	77.926316
"1069154"	221.057458	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2K"	77.926316
"1109543"	443.122192	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2K+H"	78.933592
"1339728"	443.209807	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+DMSO+H"	79.021207
"1015549"	447.248976	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2ACN+H"	83.060376
"1529301"	448.242608	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+IsoProp+Na+H"	84.054008
"993560"	224.128126	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+2ACN+2H"	84.067652
"1597912"	449.157228	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+K+HCOOH"	84.968628
"1424666"	479.188738	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+H+CF3COOH"	115.000138
"1150580"	244.641401	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+3ACN+2H"	125.094202
"1709974"	496.215285	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+NH4+CF3COOH"	132.026685
"1649635"	501.17068	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+Na+CF3COOH"	136.98208
"1579089"	517.14462	"C21093"	"Terpentecin"	"C20H28O6"	"364.1886"	"M+K+CF3COOH"	152.95602
"801998"	494.9957	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M"	0
"977514"	475.97731	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-H2O-H"	-19.01839
"69038"	328.989857333333	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M-3H"	-3.021828
"509693"	493.988424	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M-3H"	-3.021828
"886402"	163.991290666667	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-3H"	-3.021828
"8256"	493.988424	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M-2H"	-2.014552
"446724"	741.486274	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M-2H"	-2.014552
"822339"	246.490574	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-2H"	-2.014552
"83424"	988.984124	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M-H"	-1.007276
"521890"	1483.979824	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M-H"	-1.007276
"897503"	493.988424	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-H"	-1.007276
"50786"	1006.010671	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M-2H+NH4"	16.019271
"488031"	1501.006371	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M-2H+NH4"	16.019271
"872530"	511.014971	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-2H+NH4"	16.019271
"36059"	1010.966066	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M-2H+Na"	20.974666
"479991"	1505.961766	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M-2H+Na"	20.974666
"849407"	515.970366	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-2H+Na"	20.974666
"1619310"	515.970366	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Na-2H"	20.974666
"100580"	511.976763	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M-H+Cl"	33.962126
"539047"	759.474613	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M-H+Cl"	33.962126
"935842"	264.478913	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-H+Cl"	33.962126
"276591"	1024.960802	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+Cl"	34.969402
"666824"	1519.956502	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+Cl"	34.969402
"1282509"	529.965102	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Cl"	34.969402
"17656"	1026.940006	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M-2H+K"	36.948606
"464631"	1521.935706	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M-2H+K"	36.948606
"833805"	531.944306	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-2H+K"	36.948606
"1563732"	531.944306	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+K-2H"	36.948606
"954896"	539.993894	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-H+HCOOH"	44.998194
"372746"	1034.989601	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+HCOOH-H"	44.998201
"354807"	1049.005251	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+Hac-H"	59.013851
"1498173"	554.009551	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Hac-H"	59.013851
"964619"	561.975851	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-H+NaCOOH"	66.980151
"112070"	529.965102	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+2Cl"	69.938804
"551629"	777.462952	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+2Cl"	69.938804
"1022986"	282.467252	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2Cl"	69.938804
"1241361"	573.914585	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Br"	78.918885
"1304192"	575.970572	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Cl+HCOOH"	80.974872
"1326882"	597.952529	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Cl+NaCOOH"	102.956829
"913926"	607.981286	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M-H+CF3COOH"	112.985586
"1289011"	643.957964	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Cl+CF3COOH"	148.962264
"1367821"	459.983024	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H-2H2O"	-35.012676
"1387026"	477.993	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H-H2O"	-17.0027
"284888"	990.998676	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+H"	1.007276
"681325"	1485.994376	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+H"	1.007276
"1352325"	496.002976	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H"	1.007276
"131655"	496.002976	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+2H"	2.014552
"573401"	743.500826	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+2H"	2.014552
"1048398"	248.505126	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2H"	2.014552
"209010"	331.004409333333	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+3H"	3.021828
"654036"	496.002976	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+3H"	3.021828
"1167788"	166.005842666667	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+3H"	3.021828
"429967"	1008.025223	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+NH4"	18.033823
"789869"	1503.020923	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+NH4"	18.033823
"1682919"	513.029523	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+NH4"	18.033823
"331562"	504.5162495	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+H+NH4"	19.041099
"724350"	752.0140995	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+H+NH4"	19.041099
"1479259"	257.0183995	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H+NH4"	19.041099
"395390"	1012.980618	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+Na"	22.989218
"755172"	1507.976318	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+Na"	22.989218
"1603512"	517.984918	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Na"	22.989218
"315374"	506.993947	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+H+Na"	23.996494
"707429"	754.491797	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+H+Na"	23.996494
"1461745"	259.496097	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H+Na"	23.996494
"1054500"	173.333156666667	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2H+Na"	25.00377
"1260077"	528.029186	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+CH3OH+H"	33.033486
"383756"	1028.954558	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+K"	38.963158
"745845"	1523.950258	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+K"	38.963158
"1545710"	533.958858	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+K"	38.963158
"303252"	514.980917	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+H+K"	39.970434
"700782"	762.478767	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+H+K"	39.970434
"1460075"	267.483067	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H+K"	39.970434
"249771"	1032.025226	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+ACN+H"	42.033826
"1218105"	537.029526	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+ACN+H"	42.033826
"1198706"	269.018401	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+ACN+2H"	43.041102
"194854"	1034.96256	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+2Na-H"	44.97116
"633325"	1529.95826	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+2Na-H"	44.97116
"1136099"	539.96686	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2Na-H"	44.97116
"176836"	517.984918	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+2Na"	45.978436
"619681"	765.482768	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+2Na"	45.978436
"1123194"	270.487068	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2Na"	45.978436
"1407808"	180.660470666667	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H+2Na"	46.985712
"1430814"	542.008446	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H+HCOOH"	47.012746
"228529"	523.01794	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+3H2O+2H"	56.04448
"1513310"	556.06049	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+IsoProp+H"	61.06479
"415183"	525.971888	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+Na+K"	61.952376
"773991"	773.469738	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+Na+K"	61.952376
"1673599"	278.474038	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Na+K"	61.952376
"257930"	1054.007168	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+ACN+Na"	64.015768
"1231732"	559.011468	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+ACN+Na"	64.015768
"1717337"	559.034993	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+NH4+HCOOH"	64.039293
"1183053"	187.987784666667	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+3Na"	68.967654
"1652585"	563.990388	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Na+HCOOH"	68.994688
"159445"	1066.91044	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+2K-H"	76.91904
"600096"	1561.90614	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+2K-H"	76.91904
"1085823"	571.91474	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2K-H"	76.91904
"142640"	533.958858	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"2M+2K"	77.926316
"583539"	781.456708	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"3M+2K"	77.926316
"1069385"	286.461008	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2K"	77.926316
"1110746"	573.929292	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2K+H"	78.933592
"1338016"	574.016907	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+DMSO+H"	79.021207
"1012379"	578.056076	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2ACN+H"	83.060376
"1528317"	579.049708	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+IsoProp+Na+H"	84.054008
"992577"	289.531676	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+2ACN+2H"	84.067652
"1599115"	579.964328	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+K+HCOOH"	84.968628
"1424776"	609.995838	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+H+CF3COOH"	115.000138
"1150690"	310.044951	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+3ACN+2H"	125.094202
"1706804"	627.022385	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+NH4+CF3COOH"	132.026685
"1649016"	631.97778	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+Na+CF3COOH"	136.98208
"1579199"	647.95172	"C21094"	"78-Dihydromonapterin 3-triphosphate"	"C9H16N5O13P3"	"494.9957"	"M+K+CF3COOH"	152.95602
"802272"	192.027	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M"	0
"977624"	173.00861	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-H2O-H"	-19.01839
"69148"	127.010724	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M-3H"	-3.021828
"510896"	191.019724	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M-3H"	-3.021828
"890885"	63.001724	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-3H"	-3.021828
"7272"	191.019724	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H"	-2.014552
"450114"	287.033224	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H"	-2.014552
"823542"	95.006224	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H"	-2.014552
"83534"	383.046724	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M-H"	-1.007276
"522000"	575.073724	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M-H"	-1.007276
"899799"	191.019724	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-H"	-1.007276
"49803"	400.073271	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H+NH4"	16.019271
"489362"	592.100271	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H+NH4"	16.019271
"874827"	208.046271	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H+NH4"	16.019271
"34710"	405.028666	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H+Na"	20.974666
"480101"	597.055666	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H+Na"	20.974666
"850249"	213.001666	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H+Na"	20.974666
"1619421"	213.001666	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na-2H"	20.974666
"100690"	209.008063	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M-H+Cl"	33.962126
"539521"	305.021563	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M-H+Cl"	33.962126
"935952"	112.994563	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+Cl"	33.962126
"279981"	419.023402	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Cl"	34.969402
"670214"	611.050402	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+Cl"	34.969402
"1283712"	226.996402	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl"	34.969402
"22991"	421.002606	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M-2H+K"	36.948606
"466928"	613.029606	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M-2H+K"	36.948606
"835981"	228.975606	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-2H+K"	36.948606
"1560562"	228.975606	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+K-2H"	36.948606
"952819"	237.025194	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+HCOOH"	44.998194
"372127"	429.052201	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+HCOOH-H"	44.998201
"352727"	443.067851	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Hac-H"	59.013851
"1499373"	251.040851	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Hac-H"	59.013851
"960718"	259.007151	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+NaCOOH"	66.980151
"111812"	226.996402	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2Cl"	69.938804
"552103"	323.009902	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2Cl"	69.938804
"1024185"	130.982902	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2Cl"	69.938804
"1243763"	270.945885	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Br"	78.918885
"1304632"	273.001872	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl+HCOOH"	80.974872
"1320426"	294.983829	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl+NaCOOH"	102.956829
"918042"	305.012586	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M-H+CF3COOH"	112.985586
"1291109"	340.989264	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Cl+CF3COOH"	148.962264
"1367124"	157.014324	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H-2H2O"	-35.012676
"1382880"	175.0243	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H-H2O"	-17.0027
"283661"	385.061276	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H"	1.007276
"683621"	577.088276	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H"	1.007276
"1351746"	193.034276	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H"	1.007276
"129577"	193.034276	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2H"	2.014552
"573511"	289.047776	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2H"	2.014552
"1046686"	97.020776	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2H"	2.014552
"210212"	129.025276	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+3H"	3.021828
"653054"	193.034276	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+3H"	3.021828
"1168992"	65.016276	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+3H"	3.021828
"430076"	402.087823	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+NH4"	18.033823
"792165"	594.114823	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+NH4"	18.033823
"1684122"	210.060823	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+NH4"	18.033823
"332037"	201.5475495	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H+NH4"	19.041099
"725554"	297.5610495	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H+NH4"	19.041099
"1481188"	105.5340495	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+NH4"	19.041099
"395859"	407.043218	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Na"	22.989218
"755406"	599.070218	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+Na"	22.989218
"1604953"	215.016218	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na"	22.989218
"315605"	204.025247	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H+Na"	23.996494
"707907"	300.038747	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H+Na"	23.996494
"1463801"	108.011747	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+Na"	23.996494
"1054492"	72.34359	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2H+Na"	25.00377
"1259823"	225.060486	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+CH3OH+H"	33.033486
"387146"	423.017158	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+K"	38.963158
"748143"	615.044158	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+K"	38.963158
"1551288"	230.990158	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+K"	38.963158
"305185"	212.012217	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+H+K"	39.970434
"698705"	308.025717	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+H+K"	39.970434
"1457999"	115.998717	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+K"	39.970434
"245506"	426.087826	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+ACN+H"	42.033826
"1218215"	234.060826	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+ACN+H"	42.033826
"1197722"	117.534051	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+ACN+2H"	43.041102
"192412"	429.02516	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2Na-H"	44.97116
"634527"	621.05216	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2Na-H"	44.97116
"1135845"	236.99816	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2Na-H"	44.97116
"176218"	215.016218	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2Na"	45.978436
"619792"	311.029718	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2Na"	45.978436
"1127678"	119.002718	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2Na"	45.978436
"1407918"	79.670904	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+2Na"	46.985712
"1432747"	239.039746	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+HCOOH"	47.012746
"224265"	220.04924	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+3H2O+2H"	56.04448
"1510504"	253.09179	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+H"	61.06479
"413106"	223.003188	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+Na+K"	61.952376
"771670"	319.016688	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+Na+K"	61.952376
"1673345"	126.989688	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na+K"	61.952376
"256949"	448.069768	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+ACN+Na"	64.015768
"1232937"	256.042768	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+ACN+Na"	64.015768
"1719636"	256.066293	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+NH4+HCOOH"	64.039293
"1180976"	86.998218	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+3Na"	68.967654
"1655977"	261.021688	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na+HCOOH"	68.994688
"160649"	460.97304	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2K-H"	76.91904
"598262"	653.00004	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2K-H"	76.91904
"1086905"	268.94604	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2K-H"	76.91904
"142301"	230.990158	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"2M+2K"	77.926316
"582061"	327.003658	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"3M+2K"	77.926316
"1069246"	134.976658	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2K"	77.926316
"1111949"	270.960592	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2K+H"	78.933592
"1342867"	271.048207	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+DMSO+H"	79.021207
"1014313"	275.087376	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2ACN+H"	83.060376
"1527334"	276.081008	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+IsoProp+Na+H"	84.054008
"994876"	138.047326	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+2ACN+2H"	84.067652
"1599227"	276.995628	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+K+HCOOH"	84.968628
"1424886"	307.027138	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+H+CF3COOH"	115.000138
"1156268"	158.560601	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+3ACN+2H"	125.094202
"1706914"	324.053685	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+NH4+CF3COOH"	132.026685
"1649126"	329.00908	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+Na+CF3COOH"	136.98208
"1579309"	344.98302	"C21095"	"D-Glucaro-14-lactone"	"C6H8O7"	"192.027"	"M+K+CF3COOH"	152.95602
"801381"	131.0946	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M"	0
"975548"	112.07621	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H2O-H"	-19.01839
"64883"	86.389124	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-3H"	-3.021828
"513192"	130.087324	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-3H"	-3.021828
"893181"	42.690924	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-3H"	-3.021828
"7382"	130.087324	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H"	-2.014552
"449130"	195.634624	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H"	-2.014552
"823652"	64.540024	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H"	-2.014552
"79633"	261.181924	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-H"	-1.007276
"522110"	392.276524	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-H"	-1.007276
"899910"	130.087324	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H"	-1.007276
"49183"	278.208471	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+NH4"	16.019271
"488744"	409.303071	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+NH4"	16.019271
"874937"	147.113871	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+NH4"	16.019271
"36279"	283.163866	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+Na"	20.974666
"476931"	414.258466	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+Na"	20.974666
"851819"	152.069266	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+Na"	20.974666
"1619530"	152.069266	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na-2H"	20.974666
"99707"	148.075663	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-H+Cl"	33.962126
"539267"	213.622963	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-H+Cl"	33.962126
"936062"	82.528363	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+Cl"	33.962126
"273525"	297.158602	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Cl"	34.969402
"668137"	428.253202	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Cl"	34.969402
"1284915"	166.064002	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl"	34.969402
"20914"	299.137806	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M-2H+K"	36.948606
"460476"	430.232406	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M-2H+K"	36.948606
"836091"	168.043206	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-2H+K"	36.948606
"1563952"	168.043206	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K-2H"	36.948606
"952929"	176.092794	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+HCOOH"	44.998194
"371144"	307.187401	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+HCOOH-H"	44.998201
"352837"	321.203051	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Hac-H"	59.013851
"1499847"	190.108451	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Hac-H"	59.013851
"960828"	198.074751	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+NaCOOH"	66.980151
"113745"	166.064002	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Cl"	69.938804
"553308"	231.611302	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Cl"	69.938804
"1024295"	100.516702	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Cl"	69.938804
"1242054"	210.013485	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Br"	78.918885
"1304500"	212.069472	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+HCOOH"	80.974872
"1320172"	234.051429	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+NaCOOH"	102.956829
"915238"	244.080186	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M-H+CF3COOH"	112.985586
"1291582"	280.056864	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Cl+CF3COOH"	148.962264
"1367679"	96.081924	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H-2H2O"	-35.012676
"1382784"	114.0919	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H-H2O"	-17.0027
"283404"	263.196476	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H"	1.007276
"678993"	394.291076	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H"	1.007276
"1353518"	132.101876	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H"	1.007276
"129323"	132.101876	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2H"	2.014552
"573621"	197.649176	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2H"	2.014552
"1045702"	66.554576	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2H"	2.014552
"205945"	88.403676	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+3H"	3.021828
"649884"	132.101876	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+3H"	3.021828
"1168009"	44.705476	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+3H"	3.021828
"429091"	280.223023	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+NH4"	18.033823
"788631"	411.317623	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+NH4"	18.033823
"1685324"	149.128423	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4"	18.033823
"330363"	140.6151495	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+NH4"	19.041099
"724933"	206.1624495	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+NH4"	19.041099
"1480569"	75.0678495	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+NH4"	19.041099
"396697"	285.178418	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Na"	22.989218
"754503"	416.273018	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Na"	22.989218
"1603161"	154.083818	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na"	22.989218
"314374"	143.092847	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+Na"	23.996494
"707173"	208.640147	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+Na"	23.996494
"1462574"	77.545547	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+Na"	23.996494
"1053625"	52.03279	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2H+Na"	25.00377
"1259202"	164.128086	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+CH3OH+H"	33.033486
"386163"	301.152358	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+K"	38.963158
"751901"	432.246958	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+K"	38.963158
"1547027"	170.057758	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K"	38.963158
"303111"	151.079817	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+H+K"	39.970434
"703188"	216.627117	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+H+K"	39.970434
"1455916"	85.532517	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+K"	39.970434
"249993"	304.223026	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+ACN+H"	42.033826
"1221605"	173.128426	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+H"	42.033826
"1204394"	87.067851	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+2H"	43.041102
"198356"	307.16036	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Na-H"	44.97116
"633542"	438.25496	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Na-H"	44.97116
"1137048"	176.06576	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Na-H"	44.97116
"177421"	154.083818	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2Na"	45.978436
"619902"	219.631118	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2Na"	45.978436
"1126695"	88.536518	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2Na"	45.978436
"1408028"	59.360104	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+2Na"	46.985712
"1435773"	178.107346	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+HCOOH"	47.012746
"225468"	159.11684	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+3H2O+2H"	56.04448
"1509398"	192.15939	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+H"	61.06479
"409936"	162.070788	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+Na+K"	61.952376
"773118"	227.618088	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+Na+K"	61.952376
"1671635"	96.523488	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+K"	61.952376
"255966"	326.204968	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+ACN+Na"	64.015768
"1230861"	195.110368	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+ACN+Na"	64.015768
"1718653"	195.133893	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4+HCOOH"	64.039293
"1181087"	66.687418	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+3Na"	68.967654
"1657180"	200.089288	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+HCOOH"	68.994688
"159666"	339.10824	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2K-H"	76.91904
"601410"	470.20284	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2K-H"	76.91904
"1085923"	208.01364	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K-H"	76.91904
"143832"	170.057758	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"2M+2K"	77.926316
"581493"	235.605058	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"3M+2K"	77.926316
"1068870"	104.510458	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K"	77.926316
"1108779"	210.028192	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2K+H"	78.933592
"1342980"	210.115807	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+DMSO+H"	79.021207
"1009321"	214.154976	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2ACN+H"	83.060376
"1528538"	215.148608	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+IsoProp+Na+H"	84.054008
"993164"	107.581126	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+2ACN+2H"	84.067652
"1599337"	216.063228	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K+HCOOH"	84.968628
"1424996"	246.094738	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+H+CF3COOH"	115.000138
"1160753"	128.094401	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+3ACN+2H"	125.094202
"1707024"	263.121285	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+NH4+CF3COOH"	132.026685
"1648143"	268.07668	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+Na+CF3COOH"	136.98208
"1579419"	284.05062	"C21096"	"L-allo-Isoleucine"	"C6H13NO2"	"131.0946"	"M+K+CF3COOH"	152.95602
"802494"	245.2579	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M"	0
"982226"	226.23951	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-H2O-H"	-19.01839
"63905"	162.497990666667	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M-3H"	-3.021828
"503101"	244.250624	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M-3H"	-3.021828
"882362"	80.7453573333333	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-3H"	-3.021828
"2030"	244.250624	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M-2H"	-2.014552
"443047"	366.879574	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M-2H"	-2.014552
"821580"	121.621674	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-2H"	-2.014552
"89228"	489.508524	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M-H"	-1.007276
"528789"	734.766424	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M-H"	-1.007276
"902223"	244.250624	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-H"	-1.007276
"47479"	506.535071	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M-2H+NH4"	16.019271
"493968"	751.792971	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M-2H+NH4"	16.019271
"869587"	261.277171	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-2H+NH4"	16.019271
"40769"	511.490466	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M-2H+Na"	20.974666
"486852"	756.748366	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M-2H+Na"	20.974666
"861413"	266.232566	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-2H+Na"	20.974666
"1628760"	266.232566	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Na-2H"	20.974666
"105288"	262.238963	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M-H+Cl"	33.962126
"537193"	384.867913	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M-H+Cl"	33.962126
"930708"	139.610013	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-H+Cl"	33.962126
"269266"	525.485202	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+Cl"	34.969402
"662052"	770.743102	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+Cl"	34.969402
"1275185"	280.227302	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Cl"	34.969402
"18105"	527.464406	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M-2H+K"	36.948606
"455999"	772.722306	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M-2H+K"	36.948606
"835102"	282.206506	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-2H+K"	36.948606
"1557133"	282.206506	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+K-2H"	36.948606
"943558"	290.256094	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-H+HCOOH"	44.998194
"362871"	535.514001	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+HCOOH-H"	44.998201
"346509"	549.529651	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+Hac-H"	59.013851
"1492845"	304.271751	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Hac-H"	59.013851
"959116"	312.238051	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-H+NaCOOH"	66.980151
"110487"	280.227302	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+2Cl"	69.938804
"550496"	402.856252	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+2Cl"	69.938804
"1022009"	157.598352	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2Cl"	69.938804
"1246177"	324.176785	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Br"	78.918885
"1307533"	326.232772	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Cl+HCOOH"	80.974872
"1325396"	348.214729	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Cl+NaCOOH"	102.956829
"913537"	358.243486	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M-H+CF3COOH"	112.985586
"1290244"	394.220164	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Cl+CF3COOH"	148.962264
"1368039"	210.245224	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H-2H2O"	-35.012676
"1382855"	228.2552	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H-H2O"	-17.0027
"283519"	491.523076	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+H"	1.007276
"677279"	736.780976	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+H"	1.007276
"1352900"	246.265176	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H"	1.007276
"126276"	246.265176	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+2H"	2.014552
"565872"	368.894126	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+2H"	2.014552
"1038153"	123.636226	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2H"	2.014552
"205322"	164.512542666667	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+3H"	3.021828
"646719"	246.265176	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+3H"	3.021828
"1163055"	82.7599093333333	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+3H"	3.021828
"425065"	508.549623	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+NH4"	18.033823
"787281"	753.807523	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+NH4"	18.033823
"1684703"	263.291723	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+NH4"	18.033823
"330267"	254.7784495	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+H+NH4"	19.041099
"722823"	377.4073995	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+H+NH4"	19.041099
"1477209"	132.1494995	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H+NH4"	19.041099
"395000"	513.505018	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+Na"	22.989218
"754778"	758.762918	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+Na"	22.989218
"1613217"	268.247118	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Na"	22.989218
"321064"	257.256147	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+H+Na"	23.996494
"722657"	379.885097	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+H+Na"	23.996494
"1476946"	134.627197	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H+Na"	23.996494
"1068304"	90.0872233333333	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2H+Na"	25.00377
"1271715"	278.291386	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+CH3OH+H"	33.033486
"390288"	529.478958	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+K"	38.963158
"752744"	774.736858	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+K"	38.963158
"1554797"	284.221058	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+K"	38.963158
"309788"	265.243117	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+H+K"	39.970434
"704399"	387.872067	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+H+K"	39.970434
"1454939"	142.614167	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H+K"	39.970434
"244634"	532.549626	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+ACN+H"	42.033826
"1222446"	287.291726	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+ACN+H"	42.033826
"1204507"	144.149501	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+ACN+2H"	43.041102
"199566"	535.48696	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+2Na-H"	44.97116
"637306"	780.74486	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+2Na-H"	44.97116
"1137167"	290.22906	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2Na-H"	44.97116
"174261"	268.247118	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+2Na"	45.978436
"618920"	390.876068	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+2Na"	45.978436
"1120240"	145.618168	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2Na"	45.978436
"1400850"	97.4145373333333	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H+2Na"	46.985712
"1431383"	292.270646	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H+HCOOH"	47.012746
"220226"	273.28014	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+3H2O+2H"	56.04448
"1509993"	306.32269	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+IsoProp+H"	61.06479
"408653"	276.234088	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+Na+K"	61.952376
"769947"	398.863038	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+Na+K"	61.952376
"1667370"	153.605138	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Na+K"	61.952376
"254617"	554.531568	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+ACN+Na"	64.015768
"1228783"	309.273668	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+ACN+Na"	64.015768
"1713780"	309.297193	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+NH4+HCOOH"	64.039293
"1179374"	104.741851333333	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+3Na"	68.967654
"1650849"	314.252588	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Na+HCOOH"	68.994688
"159050"	567.43484	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+2K-H"	76.91904
"597757"	812.69274	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+2K-H"	76.91904
"1084248"	322.17694	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2K-H"	76.91904
"148331"	284.221058	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"2M+2K"	77.926316
"584974"	406.850008	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"3M+2K"	77.926316
"1074593"	161.592108	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2K"	77.926316
"1113271"	324.191492	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2K+H"	78.933592
"1349655"	324.279107	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+DMSO+H"	79.021207
"1018186"	328.318276	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2ACN+H"	83.060376
"1534125"	329.311908	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+IsoProp+Na+H"	84.054008
"1001666"	164.662776	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+2ACN+2H"	84.067652
"1599453"	330.226528	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+K+HCOOH"	84.968628
"1427297"	360.258038	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+H+CF3COOH"	115.000138
"1158679"	185.176051	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+3ACN+2H"	125.094202
"1709324"	377.284585	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+NH4+CF3COOH"	132.026685
"1644975"	382.23998	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+Na+CF3COOH"	136.98208
"1579531"	398.21392	"C21100"	"Caldopentamine;N-(3-Aminopropyl)-N-3-(3-aminopropyl)aminopropyl-13-propanediamine"	"C12H31N5"	"245.2579"	"M+K+CF3COOH"	152.95602
"802242"	252.0859	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M"	0
"979054"	233.06751	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H2O-H"	-19.01839
"67298"	167.049990666667	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-3H"	-3.021828
"511232"	251.078624	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-3H"	-3.021828
"894502"	83.0213573333333	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-3H"	-3.021828
"10889"	251.078624	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H"	-2.014552
"448265"	377.121574	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H"	-2.014552
"827162"	125.035674	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H"	-2.014552
"90435"	503.164524	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-H"	-1.007276
"522343"	755.250424	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-H"	-1.007276
"896860"	251.078624	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H"	-1.007276
"48319"	520.191071	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H+NH4"	16.019271
"499551"	772.276971	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H+NH4"	16.019271
"877355"	268.105171	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H+NH4"	16.019271
"43069"	525.146466	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H+Na"	20.974666
"477161"	777.232366	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H+Na"	20.974666
"861523"	273.060566	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H+Na"	20.974666
"1625589"	273.060566	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na-2H"	20.974666
"96651"	269.066963	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-H+Cl"	33.962126
"535481"	395.109913	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-H+Cl"	33.962126
"939570"	143.024013	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+Cl"	33.962126
"273753"	539.141202	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Cl"	34.969402
"661801"	791.227102	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+Cl"	34.969402
"1275295"	287.055302	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl"	34.969402
"16391"	541.120406	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M-2H+K"	36.948606
"461786"	793.206306	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M-2H+K"	36.948606
"834120"	289.034506	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-2H+K"	36.948606
"1557608"	289.034506	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K-2H"	36.948606
"944401"	297.084094	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+HCOOH"	44.998194
"361623"	549.170001	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+HCOOH-H"	44.998201
"345898"	563.185651	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Hac-H"	59.013851
"1493258"	311.099751	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Hac-H"	59.013851
"958856"	319.066051	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+NaCOOH"	66.980151
"110557"	287.055302	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2Cl"	69.938804
"551332"	413.098252	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2Cl"	69.938804
"1026348"	161.012352	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2Cl"	69.938804
"1248478"	331.004785	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Br"	78.918885
"1305822"	333.060772	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl+HCOOH"	80.974872
"1322953"	355.042729	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl+NaCOOH"	102.956829
"913280"	365.071486	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M-H+CF3COOH"	112.985586
"1289262"	401.048164	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Cl+CF3COOH"	148.962264
"1367064"	217.073224	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H-2H2O"	-35.012676
"1382776"	235.0832	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H-H2O"	-17.0027
"283868"	505.179076	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H"	1.007276
"676654"	757.264976	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H"	1.007276
"1351595"	253.093176	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H"	1.007276
"126021"	253.093176	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2H"	2.014552
"566349"	379.136126	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2H"	2.014552
"1039233"	127.050226	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2H"	2.014552
"205439"	169.064542666667	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+3H"	3.021828
"645605"	253.093176	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+3H"	3.021828
"1163969"	85.0359093333333	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+3H"	3.021828
"427851"	522.205623	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+NH4"	18.033823
"787754"	774.291523	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+NH4"	18.033823
"1682269"	270.119723	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+NH4"	18.033823
"330016"	261.6064495	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H+NH4"	19.041099
"723088"	387.6493995	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H+NH4"	19.041099
"1477317"	135.5634995	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+NH4"	19.041099
"393164"	527.161018	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Na"	22.989218
"765956"	779.246918	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+Na"	22.989218
"1612231"	275.075118	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na"	22.989218
"322268"	264.084147	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H+Na"	23.996494
"722352"	390.127097	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H+Na"	23.996494
"1477017"	138.041197	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+Na"	23.996494
"1067837"	92.3632233333333	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2H+Na"	25.00377
"1268908"	285.119386	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+CH3OH+H"	33.033486
"389673"	543.134958	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+K"	38.963158
"750668"	795.220858	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+K"	38.963158
"1552721"	291.049058	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K"	38.963158
"309898"	272.071117	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+H+K"	39.970434
"703414"	398.114067	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+H+K"	39.970434
"1453954"	146.028167	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+K"	39.970434
"244744"	546.205626	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+ACN+H"	42.033826
"1222920"	294.119726	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+ACN+H"	42.033826
"1204617"	147.563501	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+ACN+2H"	43.041102
"199678"	549.14296	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2Na-H"	44.97116
"632677"	801.22886	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2Na-H"	44.97116
"1134116"	297.05706	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2Na-H"	44.97116
"179469"	275.075118	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2Na"	45.978436
"623040"	401.118068	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2Na"	45.978436
"1123630"	149.032168	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2Na"	45.978436
"1399014"	99.6905373333333	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+2Na"	46.985712
"1433803"	299.098646	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+HCOOH"	47.012746
"220184"	280.10814	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+3H2O+2H"	56.04448
"1509981"	313.15069	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+IsoProp+H"	61.06479
"408763"	283.062088	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+Na+K"	61.952376
"770414"	409.105038	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+Na+K"	61.952376
"1669666"	157.019138	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na+K"	61.952376
"254726"	568.187568	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+ACN+Na"	64.015768
"1228165"	316.101668	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+ACN+Na"	64.015768
"1712955"	316.125193	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+NH4+HCOOH"	64.039293
"1179726"	107.017851333333	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+3Na"	68.967654
"1650837"	321.080588	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na+HCOOH"	68.994688
"157694"	581.09084	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2K-H"	76.91904
"597102"	833.17674	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2K-H"	76.91904
"1092720"	329.00494	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2K-H"	76.91904
"147349"	291.049058	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"2M+2K"	77.926316
"595419"	417.092008	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"3M+2K"	77.926316
"1083090"	165.006108	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2K"	77.926316
"1114478"	331.019492	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2K+H"	78.933592
"1348675"	331.107107	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+DMSO+H"	79.021207
"1016110"	335.146276	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2ACN+H"	83.060376
"1532049"	336.139908	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+IsoProp+Na+H"	84.054008
"999589"	168.076776	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+2ACN+2H"	84.067652
"1597374"	337.054528	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K+HCOOH"	84.968628
"1419752"	367.086038	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+H+CF3COOH"	115.000138
"1158789"	188.590051	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+3ACN+2H"	125.094202
"1707247"	384.112585	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+NH4+CF3COOH"	132.026685
"1641805"	389.06798	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+Na+CF3COOH"	136.98208
"1573082"	405.04192	"C21102"	"5-Deoxyinosine"	"C10H12N4O4"	"252.0859"	"M+K+CF3COOH"	152.95602
"803446"	175.9432	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M"	0
"980259"	156.92481	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H2O-H"	-19.01839
"72876"	116.288190666667	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-3H"	-3.021828
"510249"	174.935924	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-3H"	-3.021828
"894612"	57.6404573333333	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-3H"	-3.021828
"8813"	174.935924	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H"	-2.014552
"451655"	262.907524	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H"	-2.014552
"827272"	86.964324	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H"	-2.014552
"90545"	350.879124	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-H"	-1.007276
"527918"	526.822324	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-H"	-1.007276
"906810"	174.935924	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H"	-1.007276
"49524"	367.905671	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H+NH4"	16.019271
"499661"	543.848871	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H+NH4"	16.019271
"876009"	191.962471	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H+NH4"	16.019271
"42086"	372.861066	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H+Na"	20.974666
"477271"	548.804266	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H+Na"	20.974666
"861269"	196.917866	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H+Na"	20.974666
"1628979"	196.917866	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na-2H"	20.974666
"96761"	192.924263	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-H+Cl"	33.962126
"535227"	280.895863	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-H+Cl"	33.962126
"939680"	104.952663	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+Cl"	33.962126
"273863"	386.855802	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Cl"	34.969402
"663004"	562.799002	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+Cl"	34.969402
"1275405"	210.912602	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl"	34.969402
"21242"	388.835006	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H+K"	36.948606
"461896"	564.778206	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H+K"	36.948606
"833259"	212.891806	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H+K"	36.948606
"1558814"	212.891806	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K-2H"	36.948606
"943661"	220.941394	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+HCOOH"	44.998194
"361421"	396.884601	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+HCOOH-H"	44.998201
"346038"	410.900251	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Hac-H"	59.013851
"1493252"	234.957051	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Hac-H"	59.013851
"959088"	242.923351	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+NaCOOH"	66.980151
"111030"	210.912602	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2Cl"	69.938804
"550713"	298.884202	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2Cl"	69.938804
"1028281"	122.941002	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2Cl"	69.938804
"1248588"	254.862085	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Br"	78.918885
"1307027"	256.918072	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl+HCOOH"	80.974872
"1320187"	278.900029	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl+NaCOOH"	102.956829
"912296"	288.928786	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+CF3COOH"	112.985586
"1288496"	324.905464	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl+CF3COOH"	148.962264
"1367327"	140.930524	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H-2H2O"	-35.012676
"1383359"	158.9405	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H-H2O"	-17.0027
"283371"	352.893676	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H"	1.007276
"675877"	528.836876	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H"	1.007276
"1352762"	176.950476	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H"	1.007276
"126740"	176.950476	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2H"	2.014552
"566055"	264.922076	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2H"	2.014552
"1037645"	88.978876	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2H"	2.014552
"205795"	118.302742666667	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+3H"	3.021828
"645351"	176.950476	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+3H"	3.021828
"1163721"	59.6550093333333	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+3H"	3.021828
"425534"	369.920223	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+NH4"	18.033823
"787138"	545.863423	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+NH4"	18.033823
"1682141"	193.977023	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+NH4"	18.033823
"330176"	185.4637495	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H+NH4"	19.041099
"722880"	273.4353495	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H+NH4"	19.041099
"1477227"	97.4921495	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+NH4"	19.041099
"393764"	374.875618	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Na"	22.989218
"764244"	550.818818	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+Na"	22.989218
"1612341"	198.932418	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na"	22.989218
"322378"	187.941447	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H+Na"	23.996494
"715168"	275.913047	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H+Na"	23.996494
"1475433"	99.969847	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+Na"	23.996494
"1067831"	66.9823233333333	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2H+Na"	25.00377
"1266832"	208.976686	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+CH3OH+H"	33.033486
"387598"	390.849558	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+K"	38.963158
"750778"	566.792758	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+K"	38.963158
"1552102"	214.906358	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K"	38.963158
"308912"	195.928417	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H+K"	39.970434
"702796"	283.900017	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H+K"	39.970434
"1452968"	107.956817	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+K"	39.970434
"240477"	393.920226	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+ACN+H"	42.033826
"1213187"	217.977026	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+ACN+H"	42.033826
"1205455"	109.492151	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+ACN+2H"	43.041102
"198692"	396.85756	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2Na-H"	44.97116
"633880"	572.80076	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2Na-H"	44.97116
"1138476"	220.91436	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2Na-H"	44.97116
"178485"	198.932418	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2Na"	45.978436
"615010"	286.904018	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2Na"	45.978436
"1116450"	110.960818	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2Na"	45.978436
"1398713"	74.3096373333333	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+2Na"	46.985712
"1429899"	222.955946	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+HCOOH"	47.012746
"220108"	203.96544	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+3H2O+2H"	56.04448
"1508484"	237.00799	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+IsoProp+H"	61.06479
"408638"	206.919388	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Na+K"	61.952376
"769963"	294.890988	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+Na+K"	61.952376
"1666130"	118.947788	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na+K"	61.952376
"254109"	415.902168	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+ACN+Na"	64.015768
"1226209"	239.958968	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+ACN+Na"	64.015768
"1712944"	239.982493	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+NH4+HCOOH"	64.039293
"1179957"	81.6369513333333	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+3Na"	68.967654
"1650177"	244.937888	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na+HCOOH"	68.994688
"157224"	428.80544	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2K-H"	76.91904
"597157"	604.74864	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2K-H"	76.91904
"1088086"	252.86224	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2K-H"	76.91904
"147459"	214.906358	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2K"	77.926316
"593585"	302.877958	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2K"	77.926316
"1082107"	126.934758	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2K"	77.926316
"1113858"	254.876792	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2K+H"	78.933592
"1343315"	254.964407	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+DMSO+H"	79.021207
"1016220"	259.003576	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2ACN+H"	83.060376
"1529971"	259.997208	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+IsoProp+Na+H"	84.054008
"1001886"	130.005426	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2ACN+2H"	84.067652
"1592016"	260.911828	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K+HCOOH"	84.968628
"1419862"	290.943338	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+CF3COOH"	115.000138
"1156712"	150.518701	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+3ACN+2H"	125.094202
"1707357"	307.969885	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+NH4+CF3COOH"	132.026685
"1636447"	312.92528	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na+CF3COOH"	136.98208
"1576472"	328.89922	"C21103"	"26-Dichloro-p-benzoquinone;26-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K+CF3COOH"	152.95602
"816557"	175.9432	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M"	0
"986930"	156.92481	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H2O-H"	-19.01839
"72986"	116.288190666667	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-3H"	-3.021828
"509265"	174.935924	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-3H"	-3.021828
"890349"	57.6404573333333	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-3H"	-3.021828
"8923"	174.935924	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H"	-2.014552
"451765"	262.907524	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H"	-2.014552
"829568"	86.964324	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H"	-2.014552
"92599"	350.879124	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-H"	-1.007276
"531307"	526.822324	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-H"	-1.007276
"905827"	174.935924	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H"	-1.007276
"49997"	367.905671	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H+NH4"	16.019271
"500868"	543.848871	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H+NH4"	16.019271
"876851"	191.962471	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H+NH4"	16.019271
"44750"	372.861066	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H+Na"	20.974666
"484679"	548.804266	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H+Na"	20.974666
"863408"	196.917866	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H+Na"	20.974666
"1632249"	196.917866	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na-2H"	20.974666
"99059"	192.924263	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-H+Cl"	33.962126
"542993"	280.895863	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-H+Cl"	33.962126
"936510"	104.952663	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+Cl"	33.962126
"273973"	386.855802	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Cl"	34.969402
"662385"	562.799002	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+Cl"	34.969402
"1279891"	210.912602	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl"	34.969402
"21353"	388.835006	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M-2H+K"	36.948606
"462006"	564.778206	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M-2H+K"	36.948606
"838716"	212.891806	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-2H+K"	36.948606
"1564393"	212.891806	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K-2H"	36.948606
"946080"	220.941394	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+HCOOH"	44.998194
"364659"	396.884601	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+HCOOH-H"	44.998201
"347813"	410.900251	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Hac-H"	59.013851
"1494819"	234.957051	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Hac-H"	59.013851
"959683"	242.923351	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+NaCOOH"	66.980151
"110654"	210.912602	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2Cl"	69.938804
"550705"	298.884202	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2Cl"	69.938804
"1031307"	122.941002	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2Cl"	69.938804
"1248699"	254.862085	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Br"	78.918885
"1307865"	256.918072	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl+HCOOH"	80.974872
"1321470"	278.900029	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl+NaCOOH"	102.956829
"912770"	288.928786	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M-H+CF3COOH"	112.985586
"1290209"	324.905464	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Cl+CF3COOH"	148.962264
"1367153"	140.930524	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H-2H2O"	-35.012676
"1382947"	158.9405	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H-H2O"	-17.0027
"283362"	352.893676	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H"	1.007276
"676878"	528.836876	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H"	1.007276
"1354329"	176.950476	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H"	1.007276
"126607"	176.950476	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2H"	2.014552
"566166"	264.922076	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2H"	2.014552
"1037389"	88.978876	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2H"	2.014552
"205175"	118.302742666667	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+3H"	3.021828
"644856"	176.950476	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+3H"	3.021828
"1164439"	59.6550093333333	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+3H"	3.021828
"426616"	369.920223	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+NH4"	18.033823
"786642"	545.863423	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+NH4"	18.033823
"1683578"	193.977023	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+NH4"	18.033823
"330766"	185.4637495	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H+NH4"	19.041099
"723196"	273.4353495	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H+NH4"	19.041099
"1478106"	97.4921495	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+NH4"	19.041099
"393996"	374.875618	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Na"	22.989218
"764354"	550.818818	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+Na"	22.989218
"1616584"	198.932418	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na"	22.989218
"327715"	187.941447	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H+Na"	23.996494
"720747"	275.913047	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H+Na"	23.996494
"1476399"	99.969847	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+Na"	23.996494
"1067456"	66.9823233333333	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2H+Na"	25.00377
"1266942"	208.976686	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+CH3OH+H"	33.033486
"390988"	390.849558	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+K"	38.963158
"750890"	566.792758	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+K"	38.963158
"1551849"	214.906358	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K"	38.963158
"309753"	195.928417	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+H+K"	39.970434
"703270"	283.900017	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+H+K"	39.970434
"1454174"	107.956817	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+K"	39.970434
"243869"	393.920226	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+ACN+H"	42.033826
"1222411"	217.977026	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+ACN+H"	42.033826
"1205929"	109.492151	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+ACN+2H"	43.041102
"200627"	396.85756	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2Na-H"	44.97116
"629982"	572.80076	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2Na-H"	44.97116
"1137492"	220.91436	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2Na-H"	44.97116
"179690"	198.932418	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2Na"	45.978436
"620344"	286.904018	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2Na"	45.978436
"1119476"	110.960818	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2Na"	45.978436
"1399961"	74.3096373333333	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+2Na"	46.985712
"1431838"	222.955946	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+HCOOH"	47.012746
"220273"	203.96544	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+3H2O+2H"	56.04448
"1509596"	237.00799	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+IsoProp+H"	61.06479
"410374"	206.919388	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+Na+K"	61.952376
"771370"	294.890988	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+Na+K"	61.952376
"1666608"	118.947788	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na+K"	61.952376
"254220"	415.902168	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+ACN+Na"	64.015768
"1226928"	239.958968	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+ACN+Na"	64.015768
"1713626"	239.982493	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+NH4+HCOOH"	64.039293
"1178775"	81.6369513333333	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+3Na"	68.967654
"1650695"	244.937888	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na+HCOOH"	68.994688
"157674"	428.80544	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2K-H"	76.91904
"598205"	604.74864	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2K-H"	76.91904
"1092939"	252.86224	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2K-H"	76.91904
"151943"	214.906358	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"2M+2K"	77.926316
"593692"	302.877958	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"3M+2K"	77.926316
"1082584"	126.934758	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2K"	77.926316
"1113969"	254.876792	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2K+H"	78.933592
"1342332"	254.964407	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+DMSO+H"	79.021207
"1013048"	259.003576	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2ACN+H"	83.060376
"1532266"	259.997208	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+IsoProp+Na+H"	84.054008
"995435"	130.005426	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+2ACN+2H"	84.067652
"1593218"	260.911828	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K+HCOOH"	84.968628
"1425438"	290.943338	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+H+CF3COOH"	115.000138
"1156822"	150.518701	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+3ACN+2H"	125.094202
"1707467"	307.969885	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+NH4+CF3COOH"	132.026685
"1638745"	312.92528	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+Na+CF3COOH"	136.98208
"1574395"	328.89922	"C21104"	"25-Dichloro-p-benzoquinone;25-Dichloro-14-benzoquinone"	"C6H2Cl2O2"	"175.9432"	"M+K+CF3COOH"	152.95602
"801622"	157.9771	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M"	0
"980479"	138.95871	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-H2O-H"	-19.01839
"69815"	104.310790666667	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M-3H"	-3.021828
"509374"	156.969824	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M-3H"	-3.021828
"888272"	51.6517573333333	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-3H"	-3.021828
"2471"	156.969824	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M-2H"	-2.014552
"452968"	235.958374	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M-2H"	-2.014552
"824210"	77.981274	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-2H"	-2.014552
"89669"	314.946924	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M-H"	-1.007276
"527042"	472.924024	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M-H"	-1.007276
"904843"	156.969824	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-H"	-1.007276
"49377"	331.973471	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M-2H+NH4"	16.019271
"501341"	489.950571	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M-2H+NH4"	16.019271
"877689"	173.996371	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-2H+NH4"	16.019271
"45592"	336.928866	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M-2H+Na"	20.974666
"486240"	494.905966	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M-2H+Na"	20.974666
"861855"	178.951766	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-2H+Na"	20.974666
"1632481"	178.951766	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Na-2H"	20.974666
"99169"	174.958163	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M-H+Cl"	33.962126
"539823"	253.946713	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M-H+Cl"	33.962126
"937713"	95.969613	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-H+Cl"	33.962126
"275176"	350.923602	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+Cl"	34.969402
"668692"	508.900702	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+Cl"	34.969402
"1283281"	192.946502	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Cl"	34.969402
"24743"	352.902806	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M-2H+K"	36.948606
"465396"	510.879906	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M-2H+K"	36.948606
"842106"	194.925706	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-2H+K"	36.948606
"1561222"	194.925706	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+K-2H"	36.948606
"946919"	202.975294	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-H+HCOOH"	44.998194
"365133"	360.952401	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+HCOOH-H"	44.998201
"347191"	374.968051	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+Hac-H"	59.013851
"1494200"	216.990951	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Hac-H"	59.013851
"961740"	224.957251	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-H+NaCOOH"	66.980151
"111618"	192.946502	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+2Cl"	69.938804
"551669"	271.935052	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+2Cl"	69.938804
"1026677"	113.957952	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2Cl"	69.938804
"1249901"	236.895985	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Br"	78.918885
"1307610"	238.951972	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Cl+HCOOH"	80.974872
"1321095"	260.933929	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Cl+NaCOOH"	102.956829
"912516"	270.962686	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M-H+CF3COOH"	112.985586
"1289834"	306.939364	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Cl+CF3COOH"	148.962264
"1367507"	122.964424	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H-2H2O"	-35.012676
"1383302"	140.9744	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H-H2O"	-17.0027
"284320"	316.961476	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+H"	1.007276
"677718"	474.938576	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+H"	1.007276
"1353346"	158.984376	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H"	1.007276
"126029"	158.984376	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+2H"	2.014552
"565989"	237.972926	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+2H"	2.014552
"1037989"	79.995826	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2H"	2.014552
"204597"	106.325342666667	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+3H"	3.021828
"646061"	158.984376	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+3H"	3.021828
"1166378"	53.6663093333333	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+3H"	3.021828
"427095"	333.988023	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+NH4"	18.033823
"787844"	491.965123	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+NH4"	18.033823
"1684053"	176.010923	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+NH4"	18.033823
"330997"	167.4976495	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+H+NH4"	19.041099
"723181"	246.4861995	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+H+NH4"	19.041099
"1477491"	88.5090995	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H+NH4"	19.041099
"393134"	338.943418	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+Na"	22.989218
"758996"	496.920518	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+Na"	22.989218
"1614750"	180.966318	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Na"	22.989218
"323694"	169.975347	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+H+Na"	23.996494
"719397"	248.963897	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+H+Na"	23.996494
"1473223"	90.986797	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H+Na"	23.996494
"1064281"	60.9936233333333	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2H+Na"	25.00377
"1265960"	191.010586	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+CH3OH+H"	33.033486
"385633"	354.917358	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+K"	38.963158
"748814"	512.894458	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+K"	38.963158
"1550866"	196.940258	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+K"	38.963158
"310958"	177.962317	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+H+K"	39.970434
"705933"	256.950867	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+H+K"	39.970434
"1455377"	98.973767	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H+K"	39.970434
"243979"	357.988026	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+ACN+H"	42.033826
"1219969"	200.010926	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+ACN+H"	42.033826
"1203853"	100.509101	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+ACN+2H"	43.041102
"200738"	360.92536	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+2Na-H"	44.97116
"631915"	518.90246	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+2Na-H"	44.97116
"1135418"	202.94826	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2Na-H"	44.97116
"180894"	180.966318	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+2Na"	45.978436
"619362"	259.954868	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+2Na"	45.978436
"1116790"	101.977768	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2Na"	45.978436
"1399951"	68.3209373333333	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H+2Na"	46.985712
"1430484"	204.989846	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H+HCOOH"	47.012746
"220545"	185.99934	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+3H2O+2H"	56.04448
"1508521"	219.04189	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+IsoProp+H"	61.06479
"408903"	188.953288	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+Na+K"	61.952376
"770749"	267.941838	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+Na+K"	61.952376
"1668904"	109.964738	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Na+K"	61.952376
"252991"	379.969968	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+ACN+Na"	64.015768
"1227036"	221.992868	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+ACN+Na"	64.015768
"1714103"	222.016393	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+NH4+HCOOH"	64.039293
"1179454"	75.6482513333333	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+3Na"	68.967654
"1651900"	226.971788	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Na+HCOOH"	68.994688
"158757"	392.87324	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+2K-H"	76.91904
"600139"	550.85034	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+2K-H"	76.91904
"1089769"	234.89614	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2K-H"	76.91904
"145492"	196.940258	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"2M+2K"	77.926316
"594895"	275.928808	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"3M+2K"	77.926316
"1083054"	117.951708	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2K"	77.926316
"1112619"	236.910692	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2K+H"	78.933592
"1345722"	236.998307	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+DMSO+H"	79.021207
"1012064"	241.037476	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2ACN+H"	83.060376
"1532377"	242.031108	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+IsoProp+Na+H"	84.054008
"994452"	121.022376	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+2ACN+2H"	84.067652
"1592236"	242.945728	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+K+HCOOH"	84.968628
"1418988"	272.977238	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+H+CF3COOH"	115.000138
"1155840"	141.535651	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+3ACN+2H"	125.094202
"1701018"	290.003785	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+NH4+CF3COOH"	132.026685
"1642135"	294.95918	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+Na+CF3COOH"	136.98208
"1576692"	310.93312	"C21105"	"5-Chloro-2-hydroxy-p-benzoquinone"	"C6H3ClO3"	"157.9771"	"M+K+CF3COOH"	152.95602
"802438"	400.3705	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M"	0
"981682"	381.35211	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-H2O-H"	-19.01839
"69925"	265.906390666667	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M-3H"	-3.021828
"508391"	399.363224	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M-3H"	-3.021828
"887289"	132.449557333333	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-3H"	-3.021828
"2094"	399.363224	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M-2H"	-2.014552
"450892"	599.548474	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M-2H"	-2.014552
"823227"	199.177974	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-2H"	-2.014552
"88686"	799.733724	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M-H"	-1.007276
"526059"	1200.104224	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M-H"	-1.007276
"901672"	399.363224	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-H"	-1.007276
"57144"	816.760271	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M-2H+NH4"	16.019271
"497798"	1217.130771	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M-2H+NH4"	16.019271
"872318"	416.389771	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-2H+NH4"	16.019271
"33655"	821.715666	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M-2H+Na"	20.974666
"473218"	1222.086166	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M-2H+Na"	20.974666
"857587"	421.345166	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-2H+Na"	20.974666
"1622746"	421.345166	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Na-2H"	20.974666
"102556"	417.351563	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M-H+Cl"	33.962126
"539199"	617.536813	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M-H+Cl"	33.962126
"936726"	217.166313	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-H+Cl"	33.962126
"274192"	835.710402	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+Cl"	34.969402
"666613"	1236.080902	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+Cl"	34.969402
"1280111"	435.339902	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Cl"	34.969402
"19387"	837.689606	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M-2H+K"	36.948606
"462226"	1238.060106	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M-2H+K"	36.948606
"842214"	437.319106	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-2H+K"	36.948606
"1556344"	437.319106	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+K-2H"	36.948606
"949212"	445.368694	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-H+HCOOH"	44.998194
"362079"	845.739201	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+HCOOH-H"	44.998201
"346935"	859.754851	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+Hac-H"	59.013851
"1494675"	459.384351	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Hac-H"	59.013851
"958642"	467.350651	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-H+NaCOOH"	66.980151
"110348"	435.339902	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+2Cl"	69.938804
"551415"	635.525152	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+2Cl"	69.938804
"1022652"	235.154652	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2Cl"	69.938804
"1245270"	479.289385	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Br"	78.918885
"1307354"	481.345372	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Cl+HCOOH"	80.974872
"1322297"	503.327329	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Cl+NaCOOH"	102.956829
"911897"	513.356086	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M-H+CF3COOH"	112.985586
"1290065"	549.332764	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Cl+CF3COOH"	148.962264
"1367616"	365.357824	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H-2H2O"	-35.012676
"1383654"	383.3678	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H-H2O"	-17.0027
"283170"	801.748276	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+H"	1.007276
"676124"	1202.118776	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+H"	1.007276
"1351913"	401.377776	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H"	1.007276
"126340"	401.377776	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+2H"	2.014552
"565938"	601.563026	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+2H"	2.014552
"1037613"	201.192526	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2H"	2.014552
"204584"	267.920942666667	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+3H"	3.021828
"644954"	401.377776	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+3H"	3.021828
"1164417"	134.464109333333	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+3H"	3.021828
"425379"	818.774823	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+NH4"	18.033823
"786050"	1219.145323	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+NH4"	18.033823
"1681975"	418.404323	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+NH4"	18.033823
"330105"	409.8910495	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+H+NH4"	19.041099
"723654"	610.0762995	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+H+NH4"	19.041099
"1477079"	209.7057995	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H+NH4"	19.041099
"396280"	823.730218	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+Na"	22.989218
"759106"	1224.100718	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+Na"	22.989218
"1612673"	423.359718	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Na"	22.989218
"325992"	412.368747	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+H+Na"	23.996494
"715132"	612.553997	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+H+Na"	23.996494
"1475520"	212.183497	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H+Na"	23.996494
"1065484"	141.791423333333	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2H+Na"	25.00377
"1268255"	433.403986	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+CH3OH+H"	33.033486
"385741"	839.704158	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+K"	38.963158
"748924"	1240.074658	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+K"	38.963158
"1552069"	439.333658	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+K"	38.963158
"311432"	420.355717	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+H+K"	39.970434
"705313"	620.540967	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+H+K"	39.970434
"1458404"	220.170467	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H+K"	39.970434
"242997"	842.774826	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+ACN+H"	42.033826
"1216799"	442.404326	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+ACN+H"	42.033826
"1207974"	221.705801	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+ACN+2H"	43.041102
"201942"	845.71216	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+2Na-H"	44.97116
"641864"	1246.08266	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+2Na-H"	44.97116
"1137714"	445.34166	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2Na-H"	44.97116
"181004"	423.359718	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+2Na"	45.978436
"620565"	623.544968	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+2Na"	45.978436
"1117751"	223.174468	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2Na"	45.978436
"1400304"	149.118737333333	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H+2Na"	46.985712
"1432058"	447.383246	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H+HCOOH"	47.012746
"221143"	428.39274	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+3H2O+2H"	56.04448
"1509450"	461.43529	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+IsoProp+H"	61.06479
"409620"	431.346688	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+Na+K"	61.952376
"771951"	631.531938	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+Na+K"	61.952376
"1669015"	231.161438	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Na+K"	61.952376
"255166"	864.756768	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+ACN+Na"	64.015768
"1228967"	464.386268	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+ACN+Na"	64.015768
"1716032"	464.409793	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+NH4+HCOOH"	64.039293
"1180292"	156.446051333333	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+3Na"	68.967654
"1654195"	469.365188	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Na+HCOOH"	68.994688
"157892"	877.66004	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+2K-H"	76.91904
"600250"	1278.03054	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+2K-H"	76.91904
"1089878"	477.28954	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2K-H"	76.91904
"147788"	439.333658	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"2M+2K"	77.926316
"591725"	639.518908	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"3M+2K"	77.926316
"1082677"	239.148408	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2K"	77.926316
"1113822"	479.304092	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2K+H"	78.933592
"1342552"	479.391707	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+DMSO+H"	79.021207
"1011081"	483.430876	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2ACN+H"	83.060376
"1530301"	484.424508	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+IsoProp+Na+H"	84.054008
"995655"	242.219076	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+2ACN+2H"	84.067652
"1591253"	485.339128	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+K+HCOOH"	84.968628
"1420191"	515.370638	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+H+CF3COOH"	115.000138
"1155950"	262.732351	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+3ACN+2H"	125.094202
"1704408"	532.397185	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+NH4+CF3COOH"	132.026685
"1638965"	537.35258	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+Na+CF3COOH"	136.98208
"1576802"	553.32652	"C21106"	"24-epi-Campesterol"	"C28H48O"	"400.3705"	"M+K+CF3COOH"	152.95602
"810447"	306.0505	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M"	0
"981792"	287.03211	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-H2O-H"	-19.01839
"70035"	203.026390666667	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M-3H"	-3.021828
"505221"	305.043224	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M-3H"	-3.021828
"888493"	101.009557333333	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-3H"	-3.021828
"3785"	305.043224	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M-2H"	-2.014552
"451002"	458.068474	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M-2H"	-2.014552
"818961"	152.017974	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-2H"	-2.014552
"88796"	611.093724	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M-H"	-1.007276
"526169"	917.144224	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M-H"	-1.007276
"899596"	305.043224	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-H"	-1.007276
"57254"	628.120271	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M-2H+NH4"	16.019271
"496815"	934.170771	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M-2H+NH4"	16.019271
"872427"	322.069771	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-2H+NH4"	16.019271
"31983"	633.075666	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M-2H+Na"	20.974666
"472604"	939.126166	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M-2H+Na"	20.974666
"852594"	327.025166	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-2H+Na"	20.974666
"1622856"	327.025166	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Na-2H"	20.974666
"102666"	323.031563	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M-H+Cl"	33.962126
"537852"	476.056813	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M-H+Cl"	33.962126
"936836"	170.006313	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-H+Cl"	33.962126
"280862"	647.070402	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+Cl"	34.969402
"670004"	953.120902	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+Cl"	34.969402
"1281314"	341.019902	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Cl"	34.969402
"24963"	649.049606	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M-2H+K"	36.948606
"460149"	955.100106	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M-2H+K"	36.948606
"841231"	342.999106	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-2H+K"	36.948606
"1555881"	342.999106	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+K-2H"	36.948606
"947498"	351.048694	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-H+HCOOH"	44.998194
"364984"	657.099201	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+HCOOH-H"	44.998201
"347043"	671.114851	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+Hac-H"	59.013851
"1495148"	365.064351	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Hac-H"	59.013851
"958721"	373.030651	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-H+NaCOOH"	66.980151
"110129"	341.019902	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+2Cl"	69.938804
"550107"	494.045152	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+2Cl"	69.938804
"1023612"	187.994652	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2Cl"	69.938804
"1242098"	384.969385	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Br"	78.918885
"1306736"	387.025372	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Cl+HCOOH"	80.974872
"1322043"	409.007329	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Cl+NaCOOH"	102.956829
"912736"	419.036086	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M-H+CF3COOH"	112.985586
"1291269"	455.012764	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Cl+CF3COOH"	148.962264
"1367605"	271.037824	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H-2H2O"	-35.012676
"1383238"	289.0478	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H-H2O"	-17.0027
"283409"	613.108276	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+H"	1.007276
"677213"	919.158776	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+H"	1.007276
"1352226"	307.057776	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H"	1.007276
"125802"	307.057776	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+2H"	2.014552
"566251"	460.083026	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+2H"	2.014552
"1037126"	154.032526	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2H"	2.014552
"206484"	205.040942666667	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+3H"	3.021828
"646652"	307.057776	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+3H"	3.021828
"1163076"	103.024109333333	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+3H"	3.021828
"426592"	630.134823	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+NH4"	18.033823
"786120"	936.185323	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+NH4"	18.033823
"1681600"	324.084323	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+NH4"	18.033823
"330126"	315.5710495	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+H+NH4"	19.041099
"723889"	468.5962995	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+H+NH4"	19.041099
"1477074"	162.5457995	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H+NH4"	19.041099
"392860"	635.090218	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+Na"	22.989218
"759216"	941.140718	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+Na"	22.989218
"1613876"	329.039718	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Na"	22.989218
"326102"	318.048747	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+H+Na"	23.996494
"717428"	471.073997	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+H+Na"	23.996494
"1475628"	165.023497	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H+Na"	23.996494
"1066687"	110.351423333333	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2H+Na"	25.00377
"1267271"	339.083986	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+CH3OH+H"	33.033486
"386945"	651.064158	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+K"	38.963158
"747940"	957.114658	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+K"	38.963158
"1549993"	345.013658	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+K"	38.963158
"309356"	326.035717	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+H+K"	39.970434
"700684"	479.060967	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+H+K"	39.970434
"1457785"	173.010467	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H+K"	39.970434
"246387"	654.134826	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+ACN+H"	42.033826
"1220189"	348.084326	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+ACN+H"	42.033826
"1206991"	174.545801	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+ACN+2H"	43.041102
"202051"	657.07216	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+2Na-H"	44.97116
"633226"	963.12266	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+2Na-H"	44.97116
"1138917"	351.02166	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2Na-H"	44.97116
"184394"	329.039718	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+2Na"	45.978436
"620675"	482.064968	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+2Na"	45.978436
"1120536"	176.014468	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2Na"	45.978436
"1401510"	117.678737333333	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H+2Na"	46.985712
"1433261"	353.063246	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H+HCOOH"	47.012746
"223320"	334.07274	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+3H2O+2H"	56.04448
"1511021"	367.11529	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+IsoProp+H"	61.06479
"409977"	337.026688	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+Na+K"	61.952376
"771699"	490.051938	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+Na+K"	61.952376
"1674592"	184.001438	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Na+K"	61.952376
"254186"	676.116768	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+ACN+Na"	64.015768
"1227619"	370.066268	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+ACN+Na"	64.015768
"1716510"	370.089793	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+NH4+HCOOH"	64.039293
"1181501"	125.006051333333	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+3Na"	68.967654
"1651760"	375.045188	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Na+HCOOH"	68.994688
"161164"	689.02004	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+2K-H"	76.91904
"600726"	995.07054	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+2K-H"	76.91904
"1089988"	382.96954	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2K-H"	76.91904
"152273"	345.013658	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"2M+2K"	77.926316
"591835"	498.038908	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"3M+2K"	77.926316
"1080722"	191.988408	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2K"	77.926316
"1113569"	384.984092	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2K+H"	78.933592
"1347039"	385.071707	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+DMSO+H"	79.021207
"1016662"	389.110876	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2ACN+H"	83.060376
"1534787"	390.104508	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+IsoProp+Na+H"	84.054008
"1002329"	195.059076	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+2ACN+2H"	84.067652
"1594645"	391.019128	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+K+HCOOH"	84.968628
"1423586"	421.050638	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+H+CF3COOH"	115.000138
"1157154"	215.572351	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+3ACN+2H"	125.094202
"1709986"	438.077185	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+NH4+CF3COOH"	132.026685
"1647823"	443.03258	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+Na+CF3COOH"	136.98208
"1580193"	459.00652	"C21107"	"4-(beta-D-Ribofuranosyl)phenol 5-phosphate"	"C11H15O8P"	"306.0505"	"M+K+CF3COOH"	152.95602
"801810"	226.0065	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M"	0
"978623"	206.98811	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-H2O-H"	-19.01839
"63259"	149.663724	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M-3H"	-3.021828
"504603"	224.999224	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M-3H"	-3.021828
"885322"	74.328224	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-3H"	-3.021828
"6085"	224.999224	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M-2H"	-2.014552
"451113"	338.002474	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M-2H"	-2.014552
"830010"	111.995974	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-2H"	-2.014552
"92679"	451.005724	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M-H"	-1.007276
"526280"	677.012224	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M-H"	-1.007276
"907366"	224.999224	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-H"	-1.007276
"56272"	468.032271	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M-2H+NH4"	16.019271
"489267"	694.038771	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M-2H+NH4"	16.019271
"865123"	242.025771	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-2H+NH4"	16.019271
"37165"	472.987666	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M-2H+Na"	20.974666
"481100"	698.994166	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M-2H+Na"	20.974666
"858901"	246.981166	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-2H+Na"	20.974666
"1622967"	246.981166	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Na-2H"	20.974666
"106058"	242.987563	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M-H+Cl"	33.962126
"546716"	355.990813	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M-H+Cl"	33.962126
"934762"	129.984313	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-H+Cl"	33.962126
"274413"	486.982402	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+Cl"	34.969402
"666835"	712.988902	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+Cl"	34.969402
"1279236"	260.975902	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Cl"	34.969402
"21791"	488.961606	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M-2H+K"	36.948606
"458435"	714.968106	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M-2H+K"	36.948606
"835510"	262.955106	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-2H+K"	36.948606
"1555589"	262.955106	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+K-2H"	36.948606
"942859"	271.004694	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-H+HCOOH"	44.998194
"361418"	497.011201	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+HCOOH-H"	44.998201
"346424"	511.026851	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+Hac-H"	59.013851
"1494168"	285.020351	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Hac-H"	59.013851
"958503"	292.986651	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-H+NaCOOH"	66.980151
"110983"	260.975902	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+2Cl"	69.938804
"553104"	373.979152	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+2Cl"	69.938804
"1027007"	147.972652	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2Cl"	69.938804
"1246954"	304.925385	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Br"	78.918885
"1311589"	306.981372	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Cl+HCOOH"	80.974872
"1323252"	328.963329	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Cl+NaCOOH"	102.956829
"912489"	338.992086	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M-H+CF3COOH"	112.985586
"1289195"	374.968764	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Cl+CF3COOH"	148.962264
"1367595"	190.993824	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H-2H2O"	-35.012676
"1383021"	209.0038	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H-H2O"	-17.0027
"284900"	453.020276	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+H"	1.007276
"676962"	679.026776	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+H"	1.007276
"1351962"	227.013776	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H"	1.007276
"127294"	227.013776	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+2H"	2.014552
"565879"	340.017026	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+2H"	2.014552
"1037107"	114.010526	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2H"	2.014552
"206837"	151.678276	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+3H"	3.021828
"647492"	227.013776	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+3H"	3.021828
"1163186"	76.342776	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+3H"	3.021828
"424757"	470.046823	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+NH4"	18.033823
"785868"	696.053323	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+NH4"	18.033823
"1681361"	244.040323	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+NH4"	18.033823
"330850"	235.5270495	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+H+NH4"	19.041099
"724119"	348.5302995	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+H+NH4"	19.041099
"1478184"	122.5237995	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H+NH4"	19.041099
"393505"	475.002218	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+Na"	22.989218
"762606"	701.008718	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+Na"	22.989218
"1605601"	248.995718	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Na"	22.989218
"315271"	238.004747	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+H+Na"	23.996494
"716444"	351.007997	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+H+Na"	23.996494
"1470269"	125.001497	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H+Na"	23.996494
"1062421"	83.67009	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2H+Na"	25.00377
"1266295"	259.039986	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+CH3OH+H"	33.033486
"382682"	490.976158	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+K"	38.963158
"743678"	716.982658	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+K"	38.963158
"1547916"	264.969658	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+K"	38.963158
"306186"	245.991717	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+H+K"	39.970434
"700794"	358.994967	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+H+K"	39.970434
"1455705"	132.988467	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H+K"	39.970434
"243216"	494.046826	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+ACN+H"	42.033826
"1215925"	268.040326	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+ACN+H"	42.033826
"1207465"	134.523801	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+ACN+2H"	43.041102
"199244"	496.98416	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+2Na-H"	44.97116
"639532"	722.99066	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+2Na-H"	44.97116
"1137205"	270.97766	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2Na-H"	44.97116
"181225"	248.995718	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+2Na"	45.978436
"618599"	361.998968	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+2Na"	45.978436
"1118096"	135.992468	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2Na"	45.978436
"1403442"	90.997404	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H+2Na"	46.985712
"1433005"	273.019246	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H+HCOOH"	47.012746
"222338"	254.02874	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+3H2O+2H"	56.04448
"1511494"	287.07129	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+IsoProp+H"	61.06479
"414096"	256.982688	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+Na+K"	61.952376
"776185"	369.985938	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+Na+K"	61.952376
"1673610"	143.979438	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Na+K"	61.952376
"254293"	516.028768	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+ACN+Na"	64.015768
"1227364"	290.022268	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+ACN+Na"	64.015768
"1715161"	290.045793	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+NH4+HCOOH"	64.039293
"1180149"	98.324718	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+3Na"	68.967654
"1652958"	295.001188	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Na+HCOOH"	68.994688
"159453"	528.93204	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+2K-H"	76.91904
"601212"	754.93854	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+2K-H"	76.91904
"1096662"	302.92554	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2K-H"	76.91904
"151292"	264.969658	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"2M+2K"	77.926316
"595228"	377.972908	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"3M+2K"	77.926316
"1083021"	151.966408	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2K"	77.926316
"1112950"	304.940092	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2K+H"	78.933592
"1348242"	305.027707	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+DMSO+H"	79.021207
"1013492"	309.066876	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2ACN+H"	83.060376
"1530522"	310.060508	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+IsoProp+Na+H"	84.054008
"1000248"	155.037076	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+2ACN+2H"	84.067652
"1592565"	310.975128	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+K+HCOOH"	84.968628
"1422601"	341.006638	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+H+CF3COOH"	115.000138
"1159448"	175.550351	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+3ACN+2H"	125.094202
"1707907"	358.033185	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+NH4+CF3COOH"	132.026685
"1642465"	362.98858	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+Na+CF3COOH"	136.98208
"1574836"	378.96252	"C21109"	"Aminopyrrolnitrin"	"C10H8Cl2N2"	"226.0065"	"M+K+CF3COOH"	152.95602
"801920"	192.0454	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M"	0
"978733"	173.02701	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-H2O-H"	-19.01839
"63488"	127.022990666667	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M-3H"	-3.021828
"506536"	191.038124	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M-3H"	-3.021828
"887618"	63.0078573333333	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-3H"	-3.021828
"5102"	191.038124	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M-2H"	-2.014552
"451223"	287.060824	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M-2H"	-2.014552
"830120"	95.015424	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-2H"	-2.014552
"89017"	383.083524	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M-H"	-1.007276
"525297"	575.128924	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M-H"	-1.007276
"906384"	191.038124	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-H"	-1.007276
"59662"	400.110071	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M-2H+NH4"	16.019271
"489137"	592.155471	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M-2H+NH4"	16.019271
"866208"	208.064671	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-2H+NH4"	16.019271
"34351"	405.065466	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M-2H+Na"	20.974666
"481210"	597.110866	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M-2H+Na"	20.974666
"849291"	213.020066	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-2H+Na"	20.974666
"1623077"	213.020066	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Na-2H"	20.974666
"106168"	209.026463	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M-H+Cl"	33.962126
"547070"	305.049163	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M-H+Cl"	33.962126
"933781"	113.003763	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-H+Cl"	33.962126
"279263"	419.060202	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+Cl"	34.969402
"663666"	611.105602	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+Cl"	34.969402
"1283723"	227.014802	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Cl"	34.969402
"23000"	421.039406	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M-2H+K"	36.948606
"468026"	613.084806	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M-2H+K"	36.948606
"838173"	228.994006	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-2H+K"	36.948606
"1560567"	228.994006	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+K-2H"	36.948606
"946263"	237.043594	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-H+HCOOH"	44.998194
"368852"	429.089001	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+HCOOH-H"	44.998201
"350548"	443.104651	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+Hac-H"	59.013851
"1493548"	251.059251	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Hac-H"	59.013851
"961090"	259.025551	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-H+NaCOOH"	66.980151
"110089"	227.014802	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+2Cl"	69.938804
"551026"	323.037502	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+2Cl"	69.938804
"1026025"	130.992102	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2Cl"	69.938804
"1245238"	270.964285	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Br"	78.918885
"1304766"	273.020272	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Cl+HCOOH"	80.974872
"1322995"	295.002229	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Cl+NaCOOH"	102.956829
"913081"	305.030986	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M-H+CF3COOH"	112.985586
"1289543"	341.007664	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Cl+CF3COOH"	148.962264
"1368069"	157.032724	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H-2H2O"	-35.012676
"1383370"	175.0427	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H-H2O"	-17.0027
"283666"	385.098076	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+H"	1.007276
"676948"	577.143476	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+H"	1.007276
"1351752"	193.052676	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H"	1.007276
"128862"	193.052676	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+2H"	2.014552
"566352"	289.075376	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+2H"	2.014552
"1037950"	97.029976	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2H"	2.014552
"208405"	129.037542666667	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+3H"	3.021828
"649789"	193.052676	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+3H"	3.021828
"1163295"	65.0224093333333	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+3H"	3.021828
"425353"	402.124623	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+NH4"	18.033823
"786586"	594.170023	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+NH4"	18.033823
"1682677"	210.079223	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+NH4"	18.033823
"330831"	201.5659495	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+H+NH4"	19.041099
"725932"	297.5886495	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+H+NH4"	19.041099
"1478658"	105.5432495	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H+NH4"	19.041099
"393695"	407.080018	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+Na"	22.989218
"754392"	599.125418	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+Na"	22.989218
"1605711"	215.034618	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Na"	22.989218
"314891"	204.043647	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+H+Na"	23.996494
"712179"	300.066347	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+H+Na"	23.996494
"1470379"	108.020947	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H+Na"	23.996494
"1061437"	72.3497233333333	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2H+Na"	25.00377
"1264214"	225.078886	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+CH3OH+H"	33.033486
"382787"	423.053958	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+K"	38.963158
"748158"	615.099358	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+K"	38.963158
"1550210"	231.008558	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+K"	38.963158
"304108"	212.030617	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+H+K"	39.970434
"700903"	308.053317	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+H+K"	39.970434
"1455815"	116.007917	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H+K"	39.970434
"240044"	426.124626	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+ACN+H"	42.033826
"1216035"	234.079226	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+ACN+H"	42.033826
"1205023"	117.543251	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+ACN+2H"	43.041102
"194978"	429.06196	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+2Na-H"	44.97116
"634538"	621.10736	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+2Na-H"	44.97116
"1134762"	237.01656	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2Na-H"	44.97116
"175501"	215.034618	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+2Na"	45.978436
"614333"	311.057318	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+2Na"	45.978436
"1115893"	119.011918	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2Na"	45.978436
"1398766"	79.6770373333333	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H+2Na"	46.985712
"1430008"	239.058146	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H+HCOOH"	47.012746
"222449"	220.06764	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+3H2O+2H"	56.04448
"1509051"	253.11019	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+IsoProp+H"	61.06479
"409466"	223.021588	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+Na+K"	61.952376
"770582"	319.044288	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+Na+K"	61.952376
"1666259"	126.998888	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Na+K"	61.952376
"252049"	448.106568	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+ACN+Na"	64.015768
"1226618"	256.061168	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+ACN+Na"	64.015768
"1713562"	256.084693	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+NH4+HCOOH"	64.039293
"1180617"	87.0043513333333	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+3Na"	68.967654
"1650878"	261.040088	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Na+HCOOH"	68.994688
"158833"	461.00984	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+2K-H"	76.91904
"599130"	653.05524	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+2K-H"	76.91904
"1084617"	268.96444	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2K-H"	76.91904
"147027"	231.008558	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"2M+2K"	77.926316
"593151"	327.031258	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"3M+2K"	77.926316
"1078756"	134.985858	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2K"	77.926316
"1109781"	270.978992	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2K+H"	78.933592
"1345073"	271.066607	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+DMSO+H"	79.021207
"1013602"	275.105776	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2ACN+H"	83.060376
"1530632"	276.099408	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+IsoProp+Na+H"	84.054008
"1001450"	138.056526	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+2ACN+2H"	84.067652
"1592675"	277.014028	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+K+HCOOH"	84.968628
"1420524"	307.045538	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+H+CF3COOH"	115.000138
"1151904"	158.569801	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+3ACN+2H"	125.094202
"1704737"	324.072085	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+NH4+CF3COOH"	132.026685
"1642575"	329.02748	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+Na+CF3COOH"	136.98208
"1574946"	345.00142	"C21110"	"Monodechloroaminopyrrolnitrin"	"C10H9ClN2"	"192.0454"	"M+K+CF3COOH"	152.95602
"806403"	259.1559	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M"	0
"982123"	240.13751	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-H2O-H"	-19.01839
"64168"	171.763324	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M-3H"	-3.021828
"506646"	258.148624	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M-3H"	-3.021828
"887728"	85.378024	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-3H"	-3.021828
"6305"	258.148624	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M-2H"	-2.014552
"451333"	387.726574	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M-2H"	-2.014552
"832052"	128.570674	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-2H"	-2.014552
"89127"	517.304524	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M-H"	-1.007276
"528687"	776.460424	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M-H"	-1.007276
"909414"	258.148624	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-H"	-1.007276
"62208"	534.331071	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M-2H+NH4"	16.019271
"491680"	793.486971	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M-2H+NH4"	16.019271
"867411"	275.175171	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-2H+NH4"	16.019271
"34104"	539.286466	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M-2H+Na"	20.974666
"484600"	798.442366	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M-2H+Na"	20.974666
"849644"	280.130566	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-2H+Na"	20.974666
"1626467"	280.130566	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Na-2H"	20.974666
"109194"	276.136963	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M-H+Cl"	33.962126
"547301"	405.714913	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M-H+Cl"	33.962126
"934984"	146.559013	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-H+Cl"	33.962126
"279738"	553.281202	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+Cl"	34.969402
"662682"	812.437102	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+Cl"	34.969402
"1283833"	294.125302	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Cl"	34.969402
"23109"	555.260406	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M-2H+K"	36.948606
"464856"	814.416306	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M-2H+K"	36.948606
"839373"	296.104506	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-2H+K"	36.948606
"1559583"	296.104506	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+K-2H"	36.948606
"949652"	304.154094	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-H+HCOOH"	44.998194
"370055"	563.310001	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+HCOOH-H"	44.998201
"348104"	577.325651	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+Hac-H"	59.013851
"1493659"	318.169751	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Hac-H"	59.013851
"961201"	326.136051	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-H+NaCOOH"	66.980151
"111931"	294.125302	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+2Cl"	69.938804
"553682"	423.703252	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+2Cl"	69.938804
"1023216"	164.547352	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2Cl"	69.938804
"1244254"	338.074785	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Br"	78.918885
"1304209"	340.130772	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Cl+HCOOH"	80.974872
"1320183"	362.112729	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Cl+NaCOOH"	102.956829
"914166"	372.141486	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M-H+CF3COOH"	112.985586
"1288578"	408.118164	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Cl+CF3COOH"	148.962264
"1367034"	224.143224	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H-2H2O"	-35.012676
"1382803"	242.1532	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H-H2O"	-17.0027
"282847"	519.319076	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+H"	1.007276
"678642"	778.474976	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+H"	1.007276
"1352112"	260.163176	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H"	1.007276
"127150"	260.163176	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+2H"	2.014552
"566584"	389.741126	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+2H"	2.014552
"1038426"	130.585226	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2H"	2.014552
"207786"	173.777876	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+3H"	3.021828
"649899"	260.163176	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+3H"	3.021828
"1165837"	87.392576	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+3H"	3.021828
"425951"	536.345623	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+NH4"	18.033823
"786210"	795.501523	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+NH4"	18.033823
"1681572"	277.189723	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+NH4"	18.033823
"330291"	268.6764495	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+H+NH4"	19.041099
"723001"	398.2543995	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+H+NH4"	19.041099
"1478403"	139.0984995	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H+NH4"	19.041099
"393683"	541.301018	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+Na"	22.989218
"757359"	800.456918	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+Na"	22.989218
"1608738"	282.145118	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Na"	22.989218
"316222"	271.154147	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+H+Na"	23.996494
"714477"	400.732097	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+H+Na"	23.996494
"1468301"	141.576197	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H+Na"	23.996494
"1059358"	94.71989	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2H+Na"	25.00377
"1264317"	292.189386	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+CH3OH+H"	33.033486
"385084"	557.274958	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+K"	38.963158
"750454"	816.430858	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+K"	38.963158
"1551413"	298.119058	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+K"	38.963158
"308591"	279.141117	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+H+K"	39.970434
"702106"	408.719067	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+H+K"	39.970434
"1454832"	149.563167	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H+K"	39.970434
"242340"	560.345626	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+ACN+H"	42.033826
"1216141"	301.189726	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+ACN+H"	42.033826
"1199298"	151.098501	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+ACN+2H"	43.041102
"193996"	563.28296	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+2Na-H"	44.97116
"631366"	822.43886	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+2Na-H"	44.97116
"1131833"	304.12706	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2Na-H"	44.97116
"179258"	282.145118	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+2Na"	45.978436
"613262"	411.723068	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+2Na"	45.978436
"1116608"	152.567168	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2Na"	45.978436
"1399160"	102.047204	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H+2Na"	46.985712
"1430099"	306.168646	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H+HCOOH"	47.012746
"221099"	287.17814	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+3H2O+2H"	56.04448
"1508950"	320.22069	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+IsoProp+H"	61.06479
"409085"	290.132088	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+Na+K"	61.952376
"770571"	419.710038	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+Na+K"	61.952376
"1665962"	160.554138	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Na+K"	61.952376
"251440"	582.327568	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+ACN+Na"	64.015768
"1225792"	323.171668	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+ACN+Na"	64.015768
"1712939"	323.195193	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+NH4+HCOOH"	64.039293
"1179631"	109.374518	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+3Na"	68.967654
"1650009"	328.150588	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Na+HCOOH"	68.994688
"157278"	595.23084	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+2K-H"	76.91904
"599240"	854.38674	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+2K-H"	76.91904
"1086307"	336.07494	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2K-H"	76.91904
"146407"	298.119058	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"2M+2K"	77.926316
"593260"	427.697008	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"3M+2K"	77.926316
"1076679"	168.541108	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2K"	77.926316
"1109891"	338.089492	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2K+H"	78.933592
"1346275"	338.177107	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+DMSO+H"	79.021207
"1013712"	342.216276	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2ACN+H"	83.060376
"1530741"	343.209908	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+IsoProp+Na+H"	84.054008
"998280"	171.611776	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+2ACN+2H"	84.067652
"1591691"	344.124528	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+K+HCOOH"	84.968628
"1417354"	374.156038	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+H+CF3COOH"	115.000138
"1150921"	192.125051	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+3ACN+2H"	125.094202
"1701567"	391.182585	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+NH4+CF3COOH"	132.026685
"1639405"	396.13798	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+Na+CF3COOH"	136.98208
"1572261"	412.11192	"C21111"	"Pyrithiamine;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H19N4O"	"259.1559"	"M+K+CF3COOH"	152.95602
"804327"	260.1399	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M"	0
"978953"	241.12151	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-H2O-H"	-19.01839
"63427"	172.419324	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M-3H"	-3.021828
"504570"	259.132624	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M-3H"	-3.021828
"885652"	85.706024	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-3H"	-3.021828
"5322"	259.132624	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M-2H"	-2.014552
"448163"	389.202574	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M-2H"	-2.014552
"825963"	129.062674	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-2H"	-2.014552
"89237"	519.272524	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M-H"	-1.007276
"528797"	779.412424	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M-H"	-1.007276
"908792"	259.132624	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-H"	-1.007276
"60975"	536.299071	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M-2H+NH4"	16.019271
"488511"	796.438971	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M-2H+NH4"	16.019271
"865339"	276.159171	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-2H+NH4"	16.019271
"37494"	541.254466	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M-2H+Na"	20.974666
"484346"	801.394366	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M-2H+Na"	20.974666
"852670"	281.114566	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-2H+Na"	20.974666
"1626577"	281.114566	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Na-2H"	20.974666
"107847"	277.120963	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M-H+Cl"	33.962126
"549234"	407.190913	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M-H+Cl"	33.962126
"936189"	147.051013	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-H+Cl"	33.962126
"276933"	555.249202	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+Cl"	34.969402
"667166"	815.389102	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+Cl"	34.969402
"1281756"	295.109302	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Cl"	34.969402
"25405"	557.228406	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M-2H+K"	36.948606
"466059"	817.368306	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M-2H+K"	36.948606
"840576"	297.088506	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-2H+K"	36.948606
"1559693"	297.088506	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+K-2H"	36.948606
"949762"	305.138094	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-H+HCOOH"	44.998194
"372352"	565.278001	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+HCOOH-H"	44.998201
"351861"	579.293651	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+Hac-H"	59.013851
"1494134"	319.153751	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Hac-H"	59.013851
"963863"	327.120051	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-H+NaCOOH"	66.980151
"113134"	295.109302	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+2Cl"	69.938804
"550875"	425.179252	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+2Cl"	69.938804
"1023690"	165.039352	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2Cl"	69.938804
"1244365"	339.058785	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Br"	78.918885
"1304744"	341.114772	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Cl+HCOOH"	80.974872
"1321756"	363.096729	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Cl+NaCOOH"	102.956829
"913184"	373.125486	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M-H+CF3COOH"	112.985586
"1289159"	409.102164	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Cl+CF3COOH"	148.962264
"1367041"	225.127224	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H-2H2O"	-35.012676
"1383112"	243.1372	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H-H2O"	-17.0027
"282889"	521.287076	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+H"	1.007276
"678390"	781.426976	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+H"	1.007276
"1352549"	261.147176	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H"	1.007276
"126166"	261.147176	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+2H"	2.014552
"565689"	391.217126	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+2H"	2.014552
"1043642"	131.077226	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2H"	2.014552
"209356"	174.433876	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+3H"	3.021828
"650010"	261.147176	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+3H"	3.021828
"1169227"	87.720576	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+3H"	3.021828
"429220"	538.313623	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+NH4"	18.033823
"785752"	798.453523	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+NH4"	18.033823
"1683266"	278.173723	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+NH4"	18.033823
"329994"	269.6604495	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+H+NH4"	19.041099
"722809"	399.7303995	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+H+NH4"	19.041099
"1477786"	139.5904995	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H+NH4"	19.041099
"395374"	543.269018	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+Na"	22.989218
"759655"	803.408918	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+Na"	22.989218
"1611034"	283.129118	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Na"	22.989218
"322165"	272.138147	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+H+Na"	23.996494
"718965"	402.208097	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+H+Na"	23.996494
"1468411"	142.068197	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H+Na"	23.996494
"1058375"	95.04789	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2H+Na"	25.00377
"1265517"	293.173386	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+CH3OH+H"	33.033486
"389571"	559.242958	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+K"	38.963158
"748382"	819.382858	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+K"	38.963158
"1549340"	299.103058	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+K"	38.963158
"313077"	280.125117	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+H+K"	39.970434
"702218"	410.195067	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+H+K"	39.970434
"1457131"	150.055167	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H+K"	39.970434
"242454"	562.313626	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+ACN+H"	42.033826
"1218442"	302.173726	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+ACN+H"	42.033826
"1200503"	151.590501	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+ACN+2H"	43.041102
"197387"	565.25096	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+2Na-H"	44.97116
"630142"	825.39086	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+2Na-H"	44.97116
"1132309"	305.11106	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2Na-H"	44.97116
"174019"	283.129118	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+2Na"	45.978436
"618198"	413.199068	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+2Na"	45.978436
"1117450"	153.059168	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2Na"	45.978436
"1405960"	102.375204	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H+2Na"	46.985712
"1431876"	307.152646	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H+HCOOH"	47.012746
"220639"	288.16214	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+3H2O+2H"	56.04448
"1509026"	321.20469	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+IsoProp+H"	61.06479
"410050"	291.116088	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+Na+K"	61.952376
"771412"	421.186038	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+Na+K"	61.952376
"1669565"	161.046138	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Na+K"	61.952376
"253896"	584.295568	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+ACN+Na"	64.015768
"1226235"	324.155668	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+ACN+Na"	64.015768
"1715492"	324.179193	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+NH4+HCOOH"	64.039293
"1183035"	109.702518	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+3Na"	68.967654
"1655117"	329.134588	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Na+HCOOH"	68.994688
"159424"	597.19884	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+2K-H"	76.91904
"603001"	857.33874	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+2K-H"	76.91904
"1087877"	337.05894	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2K-H"	76.91904
"154179"	299.103058	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"2M+2K"	77.926316
"594465"	429.173008	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"3M+2K"	77.926316
"1078617"	169.033108	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2K"	77.926316
"1109641"	339.073492	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2K+H"	78.933592
"1344202"	339.161107	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+DMSO+H"	79.021207
"1013824"	343.200276	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2ACN+H"	83.060376
"1537415"	344.193908	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+IsoProp+Na+H"	84.054008
"1000582"	172.103776	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+2ACN+2H"	84.067652
"1593992"	345.108528	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+K+HCOOH"	84.968628
"1424025"	375.140038	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+H+CF3COOH"	115.000138
"1151031"	192.617051	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+3ACN+2H"	125.094202
"1709332"	392.166585	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+NH4+CF3COOH"	132.026685
"1642795"	397.12198	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+Na+CF3COOH"	136.98208
"1574073"	413.09592	"C21112"	"Oxypyrithiamine;1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium"	"C14H18N3O2"	"260.1399"	"M+K+CF3COOH"	152.95602
"801546"	336.0723	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M"	0
"977970"	317.05391	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-H2O-H"	-19.01839
"63659"	223.040924	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M-3H"	-3.021828
"503585"	335.065024	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M-3H"	-3.021828
"883575"	111.016824	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-3H"	-3.021828
"5431"	335.065024	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M-2H"	-2.014552
"440199"	503.101174	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M-2H"	-2.014552
"817321"	167.028874	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-2H"	-2.014552
"78808"	671.137324	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M-H"	-1.007276
"519300"	1007.209624	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M-H"	-1.007276
"910477"	335.065024	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-H"	-1.007276
"58897"	688.163871	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M-2H+NH4"	16.019271
"495177"	1024.236171	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M-2H+NH4"	16.019271
"864478"	352.091571	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-2H+NH4"	16.019271
"34324"	693.119266	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M-2H+Na"	20.974666
"484092"	1029.191566	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M-2H+Na"	20.974666
"852780"	357.046966	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-2H+Na"	20.974666
"1626687"	357.046966	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Na-2H"	20.974666
"106499"	353.053363	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M-H+Cl"	33.962126
"544967"	521.089513	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M-H+Cl"	33.962126
"936299"	185.017213	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-H+Cl"	33.962126
"278136"	707.114002	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+Cl"	34.969402
"670557"	1043.186302	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+Cl"	34.969402
"1279679"	371.041702	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Cl"	34.969402
"23328"	709.093206	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M-2H+K"	36.948606
"466169"	1045.165506	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M-2H+K"	36.948606
"840687"	373.020906	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-2H+K"	36.948606
"1559803"	373.020906	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+K-2H"	36.948606
"949872"	381.070494	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-H+HCOOH"	44.998194
"372463"	717.142801	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+HCOOH-H"	44.998201
"350878"	731.158451	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+Hac-H"	59.013851
"1494972"	395.086151	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Hac-H"	59.013851
"961057"	403.052451	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-H+NaCOOH"	66.980151
"112151"	371.041702	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+2Cl"	69.938804
"551351"	539.077852	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+2Cl"	69.938804
"1025626"	203.005552	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2Cl"	69.938804
"1247393"	414.991185	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Br"	78.918885
"1304405"	417.047172	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Cl+HCOOH"	80.974872
"1321866"	439.029129	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Cl+NaCOOH"	102.956829
"912202"	449.057886	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M-H+CF3COOH"	112.985586
"1289634"	485.034564	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Cl+CF3COOH"	148.962264
"1368889"	301.059624	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H-2H2O"	-35.012676
"1382936"	319.0696	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H-H2O"	-17.0027
"283514"	673.151876	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+H"	1.007276
"676677"	1009.224176	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+H"	1.007276
"1352292"	337.079576	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H"	1.007276
"126274"	337.079576	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+2H"	2.014552
"565949"	505.115726	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+2H"	2.014552
"1037219"	169.043426	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2H"	2.014552
"205454"	225.055476	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+3H"	3.021828
"644473"	337.079576	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+3H"	3.021828
"1164111"	113.031376	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+3H"	3.021828
"424307"	690.178423	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+NH4"	18.033823
"786424"	1026.250723	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+NH4"	18.033823
"1682282"	354.106123	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+NH4"	18.033823
"330195"	345.5928495	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+H+NH4"	19.041099
"723710"	513.6289995	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+H+NH4"	19.041099
"1481177"	177.5566995	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H+NH4"	19.041099
"394391"	695.133818	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+Na"	22.989218
"759036"	1031.206118	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+Na"	22.989218
"1607863"	359.061518	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Na"	22.989218
"318994"	348.070547	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+H+Na"	23.996494
"711416"	516.106697	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+H+Na"	23.996494
"1468521"	180.034397	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H+Na"	23.996494
"1057392"	120.35869	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2H+Na"	25.00377
"1262348"	369.105786	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+CH3OH+H"	33.033486
"389681"	711.107758	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+K"	38.963158
"746305"	1047.180058	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+K"	38.963158
"1549450"	375.035458	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+K"	38.963158
"307720"	356.057517	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+H+K"	39.970434
"700141"	524.093667	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+H+K"	39.970434
"1453961"	188.021367	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H+K"	39.970434
"246938"	714.178426	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+ACN+H"	42.033826
"1217459"	378.106126	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+ACN+H"	42.033826
"1199884"	189.556701	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+ACN+2H"	43.041102
"196404"	717.11576	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+2Na-H"	44.97116
"631953"	1053.18806	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+2Na-H"	44.97116
"1131483"	381.04346	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2Na-H"	44.97116
"177290"	359.061518	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+2Na"	45.978436
"619402"	527.097668	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+2Na"	45.978436
"1123636"	191.025368	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2Na"	45.978436
"1406070"	127.686004	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H+2Na"	46.985712
"1433079"	383.085046	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H+HCOOH"	47.012746
"222047"	364.09454	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+3H2O+2H"	56.04448
"1509745"	397.13709	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+IsoProp+H"	61.06479
"410160"	367.048488	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+Na+K"	61.952376
"771886"	535.084638	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+Na+K"	61.952376
"1670768"	199.012338	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Na+K"	61.952376
"253642"	736.160368	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+ACN+Na"	64.015768
"1225858"	400.088068	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+ACN+Na"	64.015768
"1714510"	400.111593	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+NH4+HCOOH"	64.039293
"1183145"	135.013318	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+3Na"	68.967654
"1653041"	405.066988	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Na+HCOOH"	68.994688
"158806"	749.06364	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+2K-H"	76.91904
"603111"	1085.13594	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+2K-H"	76.91904
"1087623"	412.99134	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2K-H"	76.91904
"154650"	375.035458	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"2M+2K"	77.926316
"595668"	543.071608	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"3M+2K"	77.926316
"1076904"	206.999308	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2K"	77.926316
"1111208"	415.005892	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2K+H"	78.933592
"1343220"	415.093507	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+DMSO+H"	79.021207
"1013934"	419.132676	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2ACN+H"	83.060376
"1536432"	420.126308	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+IsoProp+Na+H"	84.054008
"1000692"	210.069976	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+2ACN+2H"	84.067652
"1594102"	421.040928	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+K+HCOOH"	84.968628
"1423041"	451.072438	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+H+CF3COOH"	115.000138
"1148954"	230.583251	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+3ACN+2H"	125.094202
"1708348"	468.098985	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+NH4+CF3COOH"	132.026685
"1642905"	473.05438	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+Na+CF3COOH"	136.98208
"1574183"	489.02832	"C21113"	"NMNH;Reduced nicotinamide nucleotide"	"C11H17N2O8P"	"336.0723"	"M+K+CF3COOH"	152.95602
"811110"	426.3862	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M"	0
"984279"	407.36781	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-H2O-H"	-19.01839
"76169"	283.250190666667	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M-3H"	-3.021828
"506979"	425.378924	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M-3H"	-3.021828
"884781"	141.121457333333	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-3H"	-3.021828
"4448"	425.378924	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M-2H"	-2.014552
"447290"	638.572024	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M-2H"	-2.014552
"818529"	212.185824	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-2H"	-2.014552
"89100"	851.765124	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M-H"	-1.007276
"529385"	1278.151324	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M-H"	-1.007276
"902452"	425.378924	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-H"	-1.007276
"59381"	868.791671	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M-2H+NH4"	16.019271
"499672"	1295.177871	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M-2H+NH4"	16.019271
"876745"	442.405471	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-2H+NH4"	16.019271
"42094"	873.747066	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M-2H+Na"	20.974666
"483111"	1300.133266	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M-2H+Na"	20.974666
"859456"	447.360866	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-2H+Na"	20.974666
"1629722"	447.360866	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Na-2H"	20.974666
"105155"	443.367263	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M-H+Cl"	33.962126
"546904"	656.560363	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M-H+Cl"	33.962126
"935315"	230.174163	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-H+Cl"	33.962126
"274966"	887.741802	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+Cl"	34.969402
"665201"	1314.128002	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+Cl"	34.969402
"1280883"	461.355602	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Cl"	34.969402
"19063"	889.721006	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M-2H+K"	36.948606
"459719"	1316.107206	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M-2H+K"	36.948606
"835333"	463.334806	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-2H+K"	36.948606
"1558821"	463.334806	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+K-2H"	36.948606
"947799"	471.384394	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-H+HCOOH"	44.998194
"363458"	897.770601	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+HCOOH-H"	44.998201
"349896"	911.786251	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+Hac-H"	59.013851
"1499819"	485.400051	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Hac-H"	59.013851
"964095"	493.366351	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-H+NaCOOH"	66.980151
"111913"	461.355602	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+2Cl"	69.938804
"551475"	674.548702	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+2Cl"	69.938804
"1027929"	248.162502	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2Cl"	69.938804
"1248601"	505.305085	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Br"	78.918885
"1304522"	507.361072	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Cl+HCOOH"	80.974872
"1321253"	529.343029	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Cl+NaCOOH"	102.956829
"913405"	539.371786	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M-H+CF3COOH"	112.985586
"1289749"	575.348464	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Cl+CF3COOH"	148.962264
"1367908"	391.373524	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H-2H2O"	-35.012676
"1384674"	409.3835	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H-H2O"	-17.0027
"283099"	853.779676	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+H"	1.007276
"675761"	1280.165876	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+H"	1.007276
"1351458"	427.393476	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H"	1.007276
"126261"	427.393476	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+2H"	2.014552
"565864"	640.586576	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+2H"	2.014552
"1037202"	214.200376	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2H"	2.014552
"204578"	285.264742666667	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+3H"	3.021828
"644277"	427.393476	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+3H"	3.021828
"1162963"	143.136009333333	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+3H"	3.021828
"424454"	870.806223	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+NH4"	18.033823
"786054"	1297.192423	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+NH4"	18.033823
"1681389"	444.420023	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+NH4"	18.033823
"332860"	435.9067495	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+H+NH4"	19.041099
"723253"	649.0998495	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+H+NH4"	19.041099
"1477679"	222.7136495	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H+NH4"	19.041099
"394500"	875.761618	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+Na"	22.989218
"762063"	1302.147818	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+Na"	22.989218
"1607972"	449.375418	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Na"	22.989218
"322386"	438.384447	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+H+Na"	23.996494
"712620"	651.577547	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+H+Na"	23.996494
"1463887"	225.191347	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H+Na"	23.996494
"1059684"	150.463323333333	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2H+Na"	25.00377
"1261371"	459.419686	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+CH3OH+H"	33.033486
"379944"	891.735558	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+K"	38.963158
"744222"	1318.121758	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+K"	38.963158
"1546274"	465.349358	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+K"	38.963158
"311110"	446.371417	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+H+K"	39.970434
"700250"	659.564517	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+H+K"	39.970434
"1452974"	233.178317	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H+K"	39.970434
"239757"	894.806226	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+ACN+H"	42.033826
"1217573"	468.420026	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+ACN+H"	42.033826
"1196352"	234.713651	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+ACN+2H"	43.041102
"191775"	897.74356	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+2Na-H"	44.97116
"629147"	1324.12976	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+2Na-H"	44.97116
"1131634"	471.35736	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2Na-H"	44.97116
"178859"	449.375418	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+2Na"	45.978436
"615870"	662.568518	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+2Na"	45.978436
"1117917"	236.182318	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2Na"	45.978436
"1399982"	157.790637333333	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H+2Na"	46.985712
"1433558"	473.398946	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H+HCOOH"	47.012746
"222523"	454.40844	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+3H2O+2H"	56.04448
"1510587"	487.45099	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+IsoProp+H"	61.06479
"411728"	457.362388	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+Na+K"	61.952376
"770008"	670.555488	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+Na+K"	61.952376
"1665925"	244.169288	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Na+K"	61.952376
"252658"	916.788168	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+ACN+Na"	64.015768
"1226828"	490.401968	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+ACN+Na"	64.015768
"1719000"	490.425493	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+NH4+HCOOH"	64.039293
"1182164"	165.117951333333	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+3Na"	68.967654
"1654978"	495.380888	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Na+HCOOH"	68.994688
"166580"	929.69144	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+2K-H"	76.91904
"605046"	1356.07764	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+2K-H"	76.91904
"1096486"	503.30524	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2K-H"	76.91904
"155122"	465.349358	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"2M+2K"	77.926316
"585937"	678.542458	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"3M+2K"	77.926316
"1080291"	252.156258	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2K"	77.926316
"1106941"	505.319792	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2K+H"	78.933592
"1341138"	505.407407	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+DMSO+H"	79.021207
"1011855"	509.446576	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2ACN+H"	83.060376
"1534355"	510.440208	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+IsoProp+Na+H"	84.054008
"997521"	255.226926	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+2ACN+2H"	84.067652
"1597493"	511.354828	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+K+HCOOH"	84.968628
"1422059"	541.386338	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+H+CF3COOH"	115.000138
"1154534"	275.740201	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+3ACN+2H"	125.094202
"1700806"	558.412885	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+NH4+CF3COOH"	132.026685
"1637550"	563.36828	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+Na+CF3COOH"	136.98208
"1574295"	579.34222	"C21116"	"Hydroxysqualene;12-Hydroxysqualene"	"C30H50O"	"426.3862"	"M+K+CF3COOH"	152.95602
"811220"	661.4931	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M"	0
"984753"	642.47471	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-H2O-H"	-19.01839
"76643"	439.988124	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M-3H"	-3.021828
"508182"	660.485824	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M-3H"	-3.021828
"884891"	219.490424	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-3H"	-3.021828
"6745"	660.485824	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M-2H"	-2.014552
"443025"	991.232374	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M-2H"	-2.014552
"820826"	329.739274	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-2H"	-2.014552
"90300"	1321.978924	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M-H"	-1.007276
"529860"	1983.472024	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M-H"	-1.007276
"902562"	660.485824	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-H"	-1.007276
"59856"	1339.005471	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M-2H+NH4"	16.019271
"500999"	2000.498571	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M-2H+NH4"	16.019271
"877219"	677.512371	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-2H+NH4"	16.019271
"44390"	1343.960866	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M-2H+Na"	20.974666
"483221"	2005.453966	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M-2H+Na"	20.974666
"860661"	682.467766	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-2H+Na"	20.974666
"1632019"	682.467766	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Na-2H"	20.974666
"105265"	678.474163	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M-H+Cl"	33.962126
"545191"	1009.220713	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M-H+Cl"	33.962126
"938708"	347.727613	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-H+Cl"	33.962126
"269244"	1357.955602	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+Cl"	34.969402
"665674"	2019.448702	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+Cl"	34.969402
"1282816"	696.462502	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Cl"	34.969402
"19539"	1359.934806	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M-2H+K"	36.948606
"459827"	2021.427906	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M-2H+K"	36.948606
"835807"	698.441706	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-2H+K"	36.948606
"1558931"	698.441706	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+K-2H"	36.948606
"946449"	706.491294	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-H+HCOOH"	44.998194
"365392"	1367.984401	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+HCOOH-H"	44.998201
"347208"	1382.000051	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+Hac-H"	59.013851
"1497743"	720.506951	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Hac-H"	59.013851
"962019"	728.473251	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-H+NaCOOH"	66.980151
"112025"	696.462502	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+2Cl"	69.938804
"550176"	1027.209052	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+2Cl"	69.938804
"1029133"	365.715952	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2Cl"	69.938804
"1249805"	740.411985	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Br"	78.918885
"1304392"	742.467972	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Cl+HCOOH"	80.974872
"1319954"	764.449929	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Cl+NaCOOH"	102.956829
"911692"	774.478686	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M-H+CF3COOH"	112.985586
"1288508"	810.455364	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Cl+CF3COOH"	148.962264
"1367168"	626.480424	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H-2H2O"	-35.012676
"1383329"	644.4904	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H-H2O"	-17.0027
"283744"	1323.993476	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+H"	1.007276
"676283"	1985.486576	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+H"	1.007276
"1351700"	662.500376	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H"	1.007276
"126250"	662.500376	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+2H"	2.014552
"566096"	993.246926	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+2H"	2.014552
"1038496"	331.753826	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2H"	2.014552
"204690"	442.002676	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+3H"	3.021828
"646208"	662.500376	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+3H"	3.021828
"1163029"	221.504976	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+3H"	3.021828
"424402"	1341.020023	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+NH4"	18.033823
"786165"	2002.513123	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+NH4"	18.033823
"1682017"	679.526923	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+NH4"	18.033823
"332970"	671.0136495	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+H+NH4"	19.041099
"724297"	1001.7601995	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+H+NH4"	19.041099
"1478113"	340.2670995	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H+NH4"	19.041099
"397891"	1345.975418	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+Na"	22.989218
"762173"	2007.468518	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+Na"	22.989218
"1609175"	684.482318	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Na"	22.989218
"317756"	673.491347	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+H+Na"	23.996494
"712730"	1004.237897	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+H+Na"	23.996494
"1466547"	342.744797	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H+Na"	23.996494
"1059792"	228.83229	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2H+Na"	25.00377
"1265846"	694.526586	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+CH3OH+H"	33.033486
"384425"	1361.949358	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+K"	38.963158
"745422"	2023.442458	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+K"	38.963158
"1546384"	700.456258	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+K"	38.963158
"305752"	681.478317	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+H+K"	39.970434
"697078"	1012.224867	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+H+K"	39.970434
"1449804"	350.731767	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H+K"	39.970434
"239867"	1365.020026	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+ACN+H"	42.033826
"1223514"	703.526926	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+ACN+H"	42.033826
"1196463"	352.267101	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+ACN+2H"	43.041102
"191885"	1367.95736	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+2Na-H"	44.97116
"628893"	2029.45046	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+2Na-H"	44.97116
"1131868"	706.46426	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2Na-H"	44.97116
"176782"	684.482318	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+2Na"	45.978436
"613586"	1015.228868	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+2Na"	45.978436
"1116122"	353.735768	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2Na"	45.978436
"1402281"	236.159604	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H+2Na"	46.985712
"1432208"	708.505846	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H+HCOOH"	47.012746
"223726"	689.51534	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+3H2O+2H"	56.04448
"1513248"	722.55789	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+IsoProp+H"	61.06479
"411110"	692.469288	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+Na+K"	61.952376
"769952"	1023.215838	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+Na+K"	61.952376
"1665583"	361.722738	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Na+K"	61.952376
"253133"	1387.001968	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+ACN+Na"	64.015768
"1225652"	725.508868	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+ACN+Na"	64.015768
"1716923"	725.532393	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+NH4+HCOOH"	64.039293
"1182274"	243.486918	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+3Na"	68.967654
"1655088"	730.487788	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Na+HCOOH"	68.994688
"164503"	1399.90524	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+2K-H"	76.91904
"604063"	2061.39834	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+2K-H"	76.91904
"1091857"	738.41214	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2K-H"	76.91904
"148672"	700.456258	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"2M+2K"	77.926316
"586047"	1031.202808	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"3M+2K"	77.926316
"1076027"	369.709708	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2K"	77.926316
"1105957"	740.426692	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2K+H"	78.933592
"1342341"	740.514307	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+DMSO+H"	79.021207
"1006498"	744.553476	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2ACN+H"	83.060376
"1527903"	745.547108	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+IsoProp+Na+H"	84.054008
"997631"	372.780376	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+2ACN+2H"	84.067652
"1595417"	746.461728	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+K+HCOOH"	84.968628
"1417795"	776.493238	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+H+CF3COOH"	115.000138
"1155737"	393.293651	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+3ACN+2H"	125.094202
"1699822"	793.519785	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+NH4+CF3COOH"	132.026685
"1636566"	798.47518	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+Na+CF3COOH"	136.98208
"1572218"	814.44912	"C21117"	"Adenosylhopane"	"C40H63N5O3"	"661.4931"	"M+K+CF3COOH"	152.95602
"802217"	544.4492	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M"	0
"981583"	525.43081	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-H2O-H"	-19.01839
"69826"	361.958857333333	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M-3H"	-3.021828
"506105"	543.441924	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M-3H"	-3.021828
"885001"	180.475790666667	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-3H"	-3.021828
"2480"	543.441924	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M-2H"	-2.014552
"442770"	815.666524	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M-2H"	-2.014552
"819843"	271.217324	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-2H"	-2.014552
"90048"	1087.891124	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M-H"	-1.007276
"528146"	1632.340324	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M-H"	-1.007276
"901577"	543.441924	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-H"	-1.007276
"59237"	1104.917671	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M-2H+NH4"	16.019271
"501350"	1649.366871	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M-2H+NH4"	16.019271
"875507"	560.468471	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-2H+NH4"	16.019271
"43407"	1109.873066	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M-2H+Na"	20.974666
"483695"	1654.322266	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M-2H+Na"	20.974666
"861500"	565.423866	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-2H+Na"	20.974666
"1625933"	565.423866	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Na-2H"	20.974666
"103556"	561.430263	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M-H+Cl"	33.962126
"544209"	833.654863	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M-H+Cl"	33.962126
"937724"	289.205663	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-H+Cl"	33.962126
"275187"	1123.867802	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+Cl"	34.969402
"666514"	1668.317002	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+Cl"	34.969402
"1281103"	579.418602	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Cl"	34.969402
"20013"	1125.847006	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M-2H+K"	36.948606
"461030"	1670.296206	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M-2H+K"	36.948606
"838833"	581.397806	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-2H+K"	36.948606
"1560134"	581.397806	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+K-2H"	36.948606
"944737"	589.447394	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-H+HCOOH"	44.998194
"364045"	1133.896601	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+HCOOH-H"	44.998201
"347316"	1147.912251	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+Hac-H"	59.013851
"1496758"	603.463051	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Hac-H"	59.013851
"962129"	611.429351	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-H+NaCOOH"	66.980151
"118697"	579.418602	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+2Cl"	69.938804
"553882"	851.643202	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+2Cl"	69.938804
"1032523"	307.194002	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2Cl"	69.938804
"1252101"	623.368085	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Br"	78.918885
"1307988"	625.424072	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Cl+HCOOH"	80.974872
"1322567"	647.406029	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Cl+NaCOOH"	102.956829
"920915"	657.434786	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M-H+CF3COOH"	112.985586
"1293250"	693.411464	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Cl+CF3COOH"	148.962264
"1368859"	509.436524	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H-2H2O"	-35.012676
"1388908"	527.4465	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H-H2O"	-17.0027
"289686"	1089.905676	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+H"	1.007276
"677365"	1634.354876	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+H"	1.007276
"1352622"	545.456476	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H"	1.007276
"125996"	545.456476	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+2H"	2.014552
"566288"	817.681076	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+2H"	2.014552
"1037635"	273.231876	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2H"	2.014552
"204357"	363.973409333333	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+3H"	3.021828
"644983"	545.456476	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+3H"	3.021828
"1163104"	182.490342666667	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+3H"	3.021828
"424360"	1106.932223	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+NH4"	18.033823
"786159"	1651.381423	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+NH4"	18.033823
"1682615"	562.483023	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+NH4"	18.033823
"331012"	553.9697495	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+H+NH4"	19.041099
"723678"	826.1943495	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+H+NH4"	19.041099
"1477368"	281.7451495	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H+NH4"	19.041099
"396908"	1111.887618	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+Na"	22.989218
"760096"	1656.336818	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+Na"	22.989218
"1606005"	567.438418	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Na"	22.989218
"317501"	556.447447	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+H+Na"	23.996494
"708831"	828.672047	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+H+Na"	23.996494
"1466657"	284.222847	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H+Na"	23.996494
"1056623"	189.817656666667	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2H+Na"	25.00377
"1262676"	577.482686	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+CH3OH+H"	33.033486
"382345"	1127.861558	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+K"	38.963158
"743345"	1672.310758	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+K"	38.963158
"1545394"	583.412358	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+K"	38.963158
"308048"	564.434417	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+H+K"	39.970434
"696094"	836.659017	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+H+K"	39.970434
"1448821"	292.209817	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H+K"	39.970434
"236331"	1130.932226	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+ACN+H"	42.033826
"1219980"	586.483026	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+ACN+H"	42.033826
"1196937"	293.745151	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+ACN+2H"	43.041102
"191996"	1133.86956	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+2Na-H"	44.97116
"633376"	1678.31876	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+2Na-H"	44.97116
"1133967"	589.42036	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2Na-H"	44.97116
"173974"	567.438418	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+2Na"	45.978436
"613775"	839.663018	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+2Na"	45.978436
"1115795"	295.213818	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2Na"	45.978436
"1400931"	197.144970666667	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H+2Na"	46.985712
"1430169"	591.461946	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H+HCOOH"	47.012746
"220104"	572.47144	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+3H2O+2H"	56.04448
"1510805"	605.51399	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+IsoProp+H"	61.06479
"410856"	575.425388	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+Na+K"	61.952376
"769964"	847.649988	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+Na+K"	61.952376
"1665779"	303.200788	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Na+K"	61.952376
"251605"	1152.914168	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+ACN+Na"	64.015768
"1225855"	608.464968	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+ACN+Na"	64.015768
"1717033"	608.488493	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+NH4+HCOOH"	64.039293
"1181291"	204.472284666667	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+3Na"	68.967654
"1655198"	613.443888	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Na+HCOOH"	68.994688
"163520"	1165.81744	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+2K-H"	76.91904
"604173"	1710.26664	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+2K-H"	76.91904
"1091968"	621.36824	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2K-H"	76.91904
"145865"	583.412358	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"2M+2K"	77.926316
"586156"	855.636958	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"3M+2K"	77.926316
"1077230"	311.187758	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2K"	77.926316
"1104244"	623.382792	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2K+H"	78.933592
"1339171"	623.470407	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+DMSO+H"	79.021207
"1006485"	627.509576	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2ACN+H"	83.060376
"1525826"	628.503208	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+IsoProp+Na+H"	84.054008
"995554"	314.258426	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+2ACN+2H"	84.067652
"1596620"	629.417828	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+K+HCOOH"	84.968628
"1417905"	659.449338	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+H+CF3COOH"	115.000138
"1155847"	334.771701	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+3ACN+2H"	125.094202
"1698839"	676.475885	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+NH4+CF3COOH"	132.026685
"1636676"	681.43128	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+Na+CF3COOH"	136.98208
"1572328"	697.40522	"C21118"	"Ribosylhopane"	"C35H60O4"	"544.4492"	"M+K+CF3COOH"	152.95602
"804879"	546.4648	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M"	0
"984973"	527.44641	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-H2O-H"	-19.01839
"72123"	363.302590666667	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M-3H"	-3.021828
"507309"	545.457524	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M-3H"	-3.021828
"885111"	181.147657333333	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-3H"	-3.021828
"2955"	545.457524	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M-2H"	-2.014552
"443973"	818.689924	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M-2H"	-2.014552
"818251"	272.225124	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-2H"	-2.014552
"91613"	1091.922324	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M-H"	-1.007276
"528256"	1638.387124	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M-H"	-1.007276
"901688"	545.457524	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-H"	-1.007276
"57160"	1108.948871	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M-2H+NH4"	16.019271
"496360"	1655.413671	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M-2H+NH4"	16.019271
"876712"	562.484071	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-2H+NH4"	16.019271
"42791"	1113.904266	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M-2H+Na"	20.974666
"484899"	1660.369066	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M-2H+Na"	20.974666
"860153"	567.439466	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-2H+Na"	20.974666
"1628231"	567.439466	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Na-2H"	20.974666
"103666"	563.445863	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M-H+Cl"	33.962126
"545413"	836.678263	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M-H+Cl"	33.962126
"937834"	290.213463	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-H+Cl"	33.962126
"275296"	1127.899002	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+Cl"	34.969402
"665165"	1674.363802	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+Cl"	34.969402
"1280119"	581.434202	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Cl"	34.969402
"17449"	1129.878206	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M-2H+K"	36.948606
"458225"	1676.343006	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M-2H+K"	36.948606
"836027"	583.413406	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-2H+K"	36.948606
"1557329"	583.413406	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+K-2H"	36.948606
"944847"	591.462994	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-H+HCOOH"	44.998194
"365611"	1137.927801	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+HCOOH-H"	44.998201
"348033"	1151.943451	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+Hac-H"	59.013851
"1495409"	605.478651	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Hac-H"	59.013851
"963332"	613.444951	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-H+NaCOOH"	66.980151
"120992"	581.434202	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+2Cl"	69.938804
"556179"	854.666602	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+2Cl"	69.938804
"1030445"	308.201802	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2Cl"	69.938804
"1248929"	625.383685	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Br"	78.918885
"1312471"	627.439672	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Cl+HCOOH"	80.974872
"1325594"	649.421629	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Cl+NaCOOH"	102.956829
"921025"	659.450386	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M-H+CF3COOH"	112.985586
"1299920"	695.427064	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Cl+CF3COOH"	148.962264
"1379174"	511.452124	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H-2H2O"	-35.012676
"1386830"	529.4621	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H-H2O"	-17.0027
"287609"	1093.936876	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+H"	1.007276
"677842"	1640.401676	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+H"	1.007276
"1353098"	547.472076	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H"	1.007276
"127443"	547.472076	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+2H"	2.014552
"566644"	820.704476	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+2H"	2.014552
"1037982"	274.239676	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2H"	2.014552
"204675"	365.317142666667	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+3H"	3.021828
"646551"	547.472076	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+3H"	3.021828
"1163212"	183.162209333333	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+3H"	3.021828
"425030"	1110.963423	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+NH4"	18.033823
"787487"	1657.428223	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+NH4"	18.033823
"1681753"	564.498623	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+NH4"	18.033823
"333191"	555.9853495	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+H+NH4"	19.041099
"726704"	829.2177495	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+H+NH4"	19.041099
"1477600"	282.7529495	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H+NH4"	19.041099
"397018"	1115.918818	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+Na"	22.989218
"759112"	1662.383618	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+Na"	22.989218
"1605750"	569.454018	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Na"	22.989218
"318338"	558.463047	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+H+Na"	23.996494
"710759"	831.695447	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+H+Na"	23.996494
"1465670"	285.230647	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H+Na"	23.996494
"1055635"	190.489523333333	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2H+Na"	25.00377
"1261695"	579.498286	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+CH3OH+H"	33.033486
"382457"	1131.892758	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+K"	38.963158
"743456"	1678.357558	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+K"	38.963158
"1544413"	585.427958	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+K"	38.963158
"305971"	566.450017	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+H+K"	39.970434
"696205"	839.682417	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+H+K"	39.970434
"1454396"	293.217617	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H+K"	39.970434
"248832"	1134.963426	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+ACN+H"	42.033826
"1221183"	588.498626	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+ACN+H"	42.033826
"1203974"	294.752951	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+ACN+2H"	43.041102
"192471"	1137.90076	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+2Na-H"	44.97116
"632759"	1684.36556	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+2Na-H"	44.97116
"1134077"	591.43596	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2Na-H"	44.97116
"174207"	569.454018	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+2Na"	45.978436
"615223"	842.686418	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+2Na"	45.978436
"1120800"	296.221618	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2Na"	45.978436
"1401406"	197.816837333333	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H+2Na"	46.985712
"1433158"	593.477546	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H+HCOOH"	47.012746
"220783"	574.48704	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+3H2O+2H"	56.04448
"1510917"	607.52959	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+IsoProp+H"	61.06479
"409384"	577.440988	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+Na+K"	61.952376
"770576"	850.673388	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+Na+K"	61.952376
"1666583"	304.208588	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Na+K"	61.952376
"251850"	1156.945368	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+ACN+Na"	64.015768
"1227149"	610.480568	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+ACN+Na"	64.015768
"1717507"	610.504093	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+NH4+HCOOH"	64.039293
"1180310"	205.144151333333	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+3Na"	68.967654
"1655308"	615.459488	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Na+HCOOH"	68.994688
"160347"	1169.84864	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+2K-H"	76.91904
"604647"	1716.31344	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+2K-H"	76.91904
"1092078"	623.38384	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2K-H"	76.91904
"145611"	585.427958	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"2M+2K"	77.926316
"588453"	858.660358	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"3M+2K"	77.926316
"1077340"	312.195558	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2K"	77.926316
"1103990"	625.398392	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2K+H"	78.933592
"1336485"	625.486007	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+DMSO+H"	79.021207
"1006718"	629.525176	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2ACN+H"	83.060376
"1528123"	630.518808	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+IsoProp+Na+H"	84.054008
"997851"	315.266226	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+2ACN+2H"	84.067652
"1597823"	631.433428	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+K+HCOOH"	84.968628
"1418014"	661.464938	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+H+CF3COOH"	115.000138
"1157052"	335.779501	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+3ACN+2H"	125.094202
"1699314"	678.491485	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+NH4+CF3COOH"	132.026685
"1637879"	683.44688	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+Na+CF3COOH"	136.98208
"1577905"	699.42082	"C21119"	"Bacteriohopanetetrol;Tetrahydroxybacteriohopane;Bacteriohopane-32333435-tetrol"	"C35H62O4"	"546.4648"	"M+K+CF3COOH"	152.95602
"804989"	749.5442	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M"	0
"981803"	730.52581	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-H2O-H"	-19.01839
"70046"	498.688857333333	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M-3H"	-3.021828
"506325"	748.536924	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M-3H"	-3.021828
"885221"	248.840790666667	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-3H"	-3.021828
"4158"	748.536924	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M-2H"	-2.014552
"442989"	1123.309024	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M-2H"	-2.014552
"817876"	373.764824	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-2H"	-2.014552
"90993"	1498.081124	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M-H"	-1.007276
"528366"	2247.625324	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M-H"	-1.007276
"902890"	748.536924	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-H"	-1.007276
"57270"	1515.107671	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M-2H+NH4"	16.019271
"497561"	2264.651871	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M-2H+NH4"	16.019271
"876092"	765.563471	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-2H+NH4"	16.019271
"41443"	1520.063066	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M-2H+Na"	20.974666
"483916"	2269.607266	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M-2H+Na"	20.974666
"857713"	770.518866	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-2H+Na"	20.974666
"1628341"	770.518866	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Na-2H"	20.974666
"103776"	766.525263	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M-H+Cl"	33.962126
"542244"	1141.297363	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M-H+Cl"	33.962126
"936851"	391.753163	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-H+Cl"	33.962126
"276135"	1534.057802	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+Cl"	34.969402
"667096"	2283.602002	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+Cl"	34.969402
"1279137"	784.513602	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Cl"	34.969402
"19140"	1536.037006	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M-2H+K"	36.948606
"457969"	2285.581206	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M-2H+K"	36.948606
"836500"	786.492806	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-2H+K"	36.948606
"1558167"	786.492806	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+K-2H"	36.948606
"944956"	794.542394	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-H+HCOOH"	44.998194
"362441"	1544.086601	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+HCOOH-H"	44.998201
"346564"	1558.102251	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+Hac-H"	59.013851
"1497707"	808.558051	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Hac-H"	59.013851
"962348"	816.524351	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-H+NaCOOH"	66.980151
"118915"	784.513602	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+2Cl"	69.938804
"559569"	1159.285702	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+2Cl"	69.938804
"1023995"	409.741502	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2Cl"	69.938804
"1250132"	828.463085	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Br"	78.918885
"1312581"	830.519072	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Cl+HCOOH"	80.974872
"1326797"	852.501029	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Cl+NaCOOH"	102.956829
"918948"	862.529786	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M-H+CF3COOH"	112.985586
"1296750"	898.506464	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Cl+CF3COOH"	148.962264
"1376004"	714.531524	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H-2H2O"	-35.012676
"1384753"	732.5415	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H-H2O"	-17.0027
"286626"	1500.095676	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+H"	1.007276
"677588"	2249.639876	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+H"	1.007276
"1352601"	750.551476	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H"	1.007276
"126217"	750.551476	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+2H"	2.014552
"567360"	1125.323576	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+2H"	2.014552
"1037610"	375.779376	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2H"	2.014552
"205272"	500.703409333333	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+3H"	3.021828
"644835"	750.551476	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+3H"	3.021828
"1162912"	250.855342666667	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+3H"	3.021828
"425507"	1517.122223	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+NH4"	18.033823
"787596"	2266.666423	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+NH4"	18.033823
"1682105"	767.578023	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+NH4"	18.033823
"334394"	759.0647495	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+H+NH4"	19.041099
"726814"	1133.8368495	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+H+NH4"	19.041099
"1477089"	384.2926495	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H+NH4"	19.041099
"397128"	1522.077618	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+Na"	22.989218
"761409"	2271.621818	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+Na"	22.989218
"1607316"	772.533418	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Na"	22.989218
"320634"	761.542447	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+H+Na"	23.996494
"711962"	1136.314547	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+H+Na"	23.996494
"1466874"	386.770347	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H+Na"	23.996494
"1055016"	258.182656666667	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2H+Na"	25.00377
"1261803"	782.577686	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+CH3OH+H"	33.033486
"381470"	1538.051558	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+K"	38.963158
"745747"	2287.595758	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+K"	38.963158
"1545611"	788.507358	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+K"	38.963158
"308265"	769.529417	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+H+K"	39.970434
"697408"	1144.301517	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+H+K"	39.970434
"1452320"	394.757317	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H+K"	39.970434
"247120"	1541.122226	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+ACN+H"	42.033826
"1214728"	791.578026	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+ACN+H"	42.033826
"1195206"	396.292651	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+ACN+2H"	43.041102
"194769"	1544.05956	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+2Na-H"	44.97116
"635421"	2293.60376	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+2Na-H"	44.97116
"1133581"	794.51536	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2Na-H"	44.97116
"174680"	772.533418	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+2Na"	45.978436
"613873"	1147.305518	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+2Na"	45.978436
"1120910"	397.761318	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2Na"	45.978436
"1399935"	265.509970666667	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H+2Na"	46.985712
"1432175"	796.556946	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H+HCOOH"	47.012746
"221869"	777.56644	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+3H2O+2H"	56.04448
"1510055"	810.60899	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+IsoProp+H"	61.06479
"409736"	780.520388	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+Na+K"	61.952376
"770607"	1155.292488	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+Na+K"	61.952376
"1666090"	405.748288	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Na+K"	61.952376
"251796"	1563.104168	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+ACN+Na"	64.015768
"1226410"	813.559968	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+ACN+Na"	64.015768
"1717253"	813.583493	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+NH4+HCOOH"	64.039293
"1180783"	272.837284666667	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+3Na"	68.967654
"1650673"	818.538888	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Na+HCOOH"	68.994688
"160457"	1576.00744	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+2K-H"	76.91904
"600382"	2325.55164	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+2K-H"	76.91904
"1092188"	826.46324	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2K-H"	76.91904
"145721"	788.507358	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"2M+2K"	77.926316
"586376"	1163.279458	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"3M+2K"	77.926316
"1074170"	413.735258	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2K"	77.926316
"1103007"	828.477792	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2K+H"	78.933592
"1337079"	828.565407	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+DMSO+H"	79.021207
"1006703"	832.604576	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2ACN+H"	83.060376
"1529326"	833.598208	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+IsoProp+Na+H"	84.054008
"996868"	416.805926	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+2ACN+2H"	84.067652
"1595746"	834.512828	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+K+HCOOH"	84.968628
"1417031"	864.544338	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+H+CF3COOH"	115.000138
"1158255"	437.319201	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+3ACN+2H"	125.094202
"1699424"	881.570885	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+NH4+CF3COOH"	132.026685
"1639082"	886.52628	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+Na+CF3COOH"	136.98208
"1578015"	902.50022	"C21120"	"Bacteriohopanetetrol-acetylglucosamine"	"C43H75NO9"	"749.5442"	"M+K+CF3COOH"	152.95602
"802183"	707.5336	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M"	0
"981913"	688.51521	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-H2O-H"	-19.01839
"69063"	470.681790666667	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M-3H"	-3.021828
"506070"	706.526324	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M-3H"	-3.021828
"884238"	234.837257333333	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-3H"	-3.021828
"2081"	706.526324	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M-2H"	-2.014552
"441277"	1060.293124	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M-2H"	-2.014552
"818350"	352.759524	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-2H"	-2.014552
"90739"	1414.059924	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M-H"	-1.007276
"528476"	2121.593524	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M-H"	-1.007276
"903001"	706.526324	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-H"	-1.007276
"54100"	1431.086471	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M-2H+NH4"	16.019271
"496941"	2138.620071	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M-2H+NH4"	16.019271
"874743"	723.552871	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-2H+NH4"	16.019271
"40459"	1436.041866	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M-2H+Na"	20.974666
"483662"	2143.575466	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M-2H+Na"	20.974666
"856729"	728.508266	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-2H+Na"	20.974666
"1627357"	728.508266	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Na-2H"	20.974666
"103886"	724.514663	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M-H+Cl"	33.962126
"544539"	1078.281463	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M-H+Cl"	33.962126
"935866"	370.747863	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-H+Cl"	33.962126
"275516"	1450.036602	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+Cl"	34.969402
"666114"	2157.570202	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+Cl"	34.969402
"1279247"	742.503002	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Cl"	34.969402
"19614"	1452.015806	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M-2H+K"	36.948606
"459902"	2159.549406	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M-2H+K"	36.948606
"834421"	744.482206	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-2H+K"	36.948606
"1558277"	744.482206	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+K-2H"	36.948606
"945432"	752.531794	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-H+HCOOH"	44.998194
"361939"	1460.065401	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+HCOOH-H"	44.998201
"347528"	1474.081051	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+Hac-H"	59.013851
"1494173"	766.547451	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Hac-H"	59.013851
"964645"	774.513751	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-H+NaCOOH"	66.980151
"120118"	742.503002	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+2Cl"	69.938804
"560772"	1096.269802	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+2Cl"	69.938804
"1024105"	388.736202	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2Cl"	69.938804
"1250242"	786.452485	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Br"	78.918885
"1315971"	788.508472	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Cl+HCOOH"	80.974872
"1330187"	810.490429	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Cl+NaCOOH"	102.956829
"919058"	820.519186	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M-H+CF3COOH"	112.985586
"1296860"	856.495864	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Cl+CF3COOH"	148.962264
"1376114"	672.520924	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H-2H2O"	-35.012676
"1389237"	690.5309	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H-H2O"	-17.0027
"293296"	1416.074476	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+H"	1.007276
"680253"	2123.608076	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+H"	1.007276
"1352955"	708.540876	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H"	1.007276
"127305"	708.540876	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+2H"	2.014552
"576707"	1062.307676	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+2H"	2.014552
"1045506"	354.774076	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2H"	2.014552
"210126"	472.696342666667	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+3H"	3.021828
"644583"	708.540876	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+3H"	3.021828
"1163071"	236.851809333333	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+3H"	3.021828
"426710"	1433.101023	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+NH4"	18.033823
"788800"	2140.634623	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+NH4"	18.033823
"1681851"	725.567423	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+NH4"	18.033823
"332681"	717.0541495	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+H+NH4"	19.041099
"726924"	1070.8209495	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+H+NH4"	19.041099
"1478556"	363.2873495	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H+NH4"	19.041099
"397238"	1438.056418	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+Na"	22.989218
"761519"	2145.590018	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+Na"	22.989218
"1606332"	730.522818	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Na"	22.989218
"320743"	719.531847	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+H+Na"	23.996494
"710250"	1073.298647	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+H+Na"	23.996494
"1465162"	365.765047	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H+Na"	23.996494
"1054031"	244.179123333333	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2H+Na"	25.00377
"1260820"	740.567086	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+CH3OH+H"	33.033486
"381579"	1454.030358	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+K"	38.963158
"740394"	2161.563958	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+K"	38.963158
"1541716"	746.496758	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+K"	38.963158
"309468"	727.518817	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+H+K"	39.970434
"695332"	1081.285617	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+H+K"	39.970434
"1451337"	373.752017	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H+K"	39.970434
"245406"	1457.101026	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+ACN+H"	42.033826
"1214838"	749.567426	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+ACN+H"	42.033826
"1199814"	375.287351	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+ACN+2H"	43.041102
"198159"	1460.03836	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+2Na-H"	44.97116
"634440"	2167.57196	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+2Na-H"	44.97116
"1141223"	752.50476	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2Na-H"	44.97116
"181234"	730.522818	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+2Na"	45.978436
"615324"	1084.289618	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+2Na"	45.978436
"1117371"	376.756018	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2Na"	45.978436
"1401260"	251.506437333333	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H+2Na"	46.985712
"1435564"	754.546346	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H+HCOOH"	47.012746
"223436"	735.55584	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+3H2O+2H"	56.04448
"1512230"	768.59839	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+IsoProp+H"	61.06479
"410094"	738.509788	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+Na+K"	61.952376
"770720"	1092.276588	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+Na+K"	61.952376
"1666685"	384.742988	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Na+K"	61.952376
"252725"	1479.082968	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+ACN+Na"	64.015768
"1225833"	771.549368	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+ACN+Na"	64.015768
"1725020"	771.572893	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+NH4+HCOOH"	64.039293
"1189278"	258.833751333333	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+3Na"	68.967654
"1655164"	776.528288	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Na+HCOOH"	68.994688
"164942"	1491.98624	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+2K-H"	76.91904
"603409"	2199.51984	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+2K-H"	76.91904
"1092298"	784.45264	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2K-H"	76.91904
"148019"	746.496758	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"2M+2K"	77.926316
"591954"	1100.263558	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"3M+2K"	77.926316
"1074279"	392.729958	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2K"	77.926316
"1105302"	786.467192	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2K+H"	78.933592
"1340597"	786.554807	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+DMSO+H"	79.021207
"1008033"	790.593976	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2ACN+H"	83.060376
"1531627"	791.587608	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+IsoProp+Na+H"	84.054008
"995885"	395.800626	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+2ACN+2H"	84.067652
"1595856"	792.502228	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+K+HCOOH"	84.968628
"1419329"	822.533738	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+H+CF3COOH"	115.000138
"1158365"	416.313901	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+3ACN+2H"	125.094202
"1699898"	839.560285	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+NH4+CF3COOH"	132.026685
"1639192"	844.51568	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+Na+CF3COOH"	136.98208
"1578125"	860.48962	"C21121"	"Bacteriohopanetetrol-glucosamine;Tetrahydroxybacteriohopane-glucosamine"	"C41H73NO8"	"707.5336"	"M+K+CF3COOH"	152.95602
"811770"	707.5336	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M"	0
"978743"	688.51521	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-H2O-H"	-19.01839
"72454"	470.681790666667	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M-3H"	-3.021828
"506545"	706.526324	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M-3H"	-3.021828
"884348"	234.837257333333	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-3H"	-3.021828
"2556"	706.526324	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M-2H"	-2.014552
"441023"	1060.293124	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M-2H"	-2.014552
"817117"	352.759524	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-2H"	-2.014552
"87934"	1414.059924	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M-H"	-1.007276
"527493"	2121.593524	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M-H"	-1.007276
"900921"	706.526324	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-H"	-1.007276
"55303"	1431.086471	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M-2H+NH4"	16.019271
"493771"	2138.620071	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M-2H+NH4"	16.019271
"871578"	723.552871	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-2H+NH4"	16.019271
"37289"	1436.041866	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M-2H+Na"	20.974666
"482318"	2143.575466	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M-2H+Na"	20.974666
"856840"	728.508266	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-2H+Na"	20.974666
"1627466"	728.508266	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Na-2H"	20.974666
"105090"	724.514663	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M-H+Cl"	33.962126
"546109"	1078.281463	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M-H+Cl"	33.962126
"935976"	370.747863	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-H+Cl"	33.962126
"278908"	1450.036602	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+Cl"	34.969402
"669142"	2157.570202	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+Cl"	34.969402
"1282640"	742.503002	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Cl"	34.969402
"23010"	1452.015806	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M-2H+K"	36.948606
"465849"	2159.549406	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M-2H+K"	36.948606
"837816"	744.482206	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-2H+K"	36.948606
"1559486"	744.482206	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+K-2H"	36.948606
"943720"	752.531794	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-H+HCOOH"	44.998194
"361808"	1460.065401	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+HCOOH-H"	44.998201
"350557"	1474.081051	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+Hac-H"	59.013851
"1497202"	766.547451	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Hac-H"	59.013851
"964755"	774.513751	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-H+NaCOOH"	66.980151
"122415"	742.503002	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+2Cl"	69.938804
"556508"	1096.269802	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+2Cl"	69.938804
"1030775"	388.736202	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2Cl"	69.938804
"1247072"	786.452485	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Br"	78.918885
"1316081"	788.508472	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Cl+HCOOH"	80.974872
"1329204"	810.490429	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Cl+NaCOOH"	102.956829
"919169"	820.519186	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M-H+CF3COOH"	112.985586
"1291504"	856.495864	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Cl+CF3COOH"	148.962264
"1376225"	672.520924	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H-2H2O"	-35.012676
"1389347"	690.5309	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H-H2O"	-17.0027
"285753"	1416.074476	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+H"	1.007276
"677082"	2123.608076	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+H"	1.007276
"1355619"	708.540876	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H"	1.007276
"128508"	708.540876	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+2H"	2.014552
"572442"	1062.307676	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+2H"	2.014552
"1043429"	354.774076	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2H"	2.014552
"210236"	472.696342666667	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+3H"	3.021828
"645419"	708.540876	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+3H"	3.021828
"1163541"	236.851809333333	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+3H"	3.021828
"424752"	1433.101023	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+NH4"	18.033823
"787081"	2140.634623	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+NH4"	18.033823
"1681960"	725.567423	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+NH4"	18.033823
"331210"	717.0541495	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+H+NH4"	19.041099
"724239"	1070.8209495	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+H+NH4"	19.041099
"1480855"	363.2873495	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H+NH4"	19.041099
"400629"	1438.056418	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+Na"	22.989218
"757253"	2145.590018	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+Na"	22.989218
"1607535"	730.522818	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Na"	22.989218
"319759"	719.531847	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+H+Na"	23.996494
"709993"	1073.298647	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+H+Na"	23.996494
"1461986"	365.765047	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H+Na"	23.996494
"1053293"	244.179123333333	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2H+Na"	25.00377
"1260929"	740.567086	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+CH3OH+H"	33.033486
"379502"	1454.030358	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+K"	38.963158
"739773"	2161.563958	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+K"	38.963158
"1540372"	746.496758	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+K"	38.963158
"308485"	727.518817	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+H+K"	39.970434
"703825"	1081.285617	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+H+K"	39.970434
"1452541"	373.752017	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H+K"	39.970434
"241142"	1457.101026	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+ACN+H"	42.033826
"1217136"	749.567426	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+ACN+H"	42.033826
"1202114"	375.287351	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+ACN+2H"	43.041102
"197173"	1460.03836	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+2Na-H"	44.97116
"636736"	2167.57196	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+2Na-H"	44.97116
"1142063"	752.50476	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2Na-H"	44.97116
"183167"	730.522818	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+2Na"	45.978436
"618717"	1084.289618	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+2Na"	45.978436
"1116753"	376.756018	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2Na"	45.978436
"1401008"	251.506437333333	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H+2Na"	46.985712
"1435674"	754.546346	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H+HCOOH"	47.012746
"225369"	735.55584	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+3H2O+2H"	56.04448
"1512340"	768.59839	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+IsoProp+H"	61.06479
"409840"	738.509788	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+Na+K"	61.952376
"770226"	1092.276588	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+Na+K"	61.952376
"1666071"	384.742988	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Na+K"	61.952376
"258062"	1479.082968	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+ACN+Na"	64.015768
"1225643"	771.549368	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+ACN+Na"	64.015768
"1722944"	771.572893	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+NH4+HCOOH"	64.039293
"1188295"	258.833751333333	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+3Na"	68.967654
"1658191"	776.528288	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Na+HCOOH"	68.994688
"163959"	1491.98624	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+2K-H"	76.91904
"603518"	2199.51984	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+2K-H"	76.91904
"1085359"	784.45264	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2K-H"	76.91904
"145943"	746.496758	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"2M+2K"	77.926316
"581609"	1100.263558	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"3M+2K"	77.926316
"1068958"	392.729958	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2K"	77.926316
"1105411"	786.467192	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2K+H"	78.933592
"1340704"	786.554807	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+DMSO+H"	79.021207
"1009235"	790.593976	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2ACN+H"	83.060376
"1527363"	791.587608	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+IsoProp+Na+H"	84.054008
"999277"	395.800626	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+2ACN+2H"	84.067652
"1594872"	792.502228	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+K+HCOOH"	84.968628
"1427093"	822.533738	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+H+CF3COOH"	115.000138
"1155194"	416.313901	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+3ACN+2H"	125.094202
"1705840"	839.560285	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+NH4+CF3COOH"	132.026685
"1636022"	844.51568	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+Na+CF3COOH"	136.98208
"1578235"	860.48962	"C21122"	"Bacteriohopanetetrol cyclitol ether;Tetrahydroxybacteriohopane cyclitol ether"	"C41H73NO8"	"707.5336"	"M+K+CF3COOH"	152.95602
"811880"	545.4808	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M"	0
"982133"	526.46241	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-H2O-H"	-19.01839
"73657"	362.646590666667	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M-3H"	-3.021828
"506655"	544.473524	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M-3H"	-3.021828
"883363"	180.819657333333	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-3H"	-3.021828
"2666"	544.473524	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M-2H"	-2.014552
"445874"	817.213924	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M-2H"	-2.014552
"819299"	271.733124	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-2H"	-2.014552
"88042"	1089.954324	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M-H"	-1.007276
"527603"	1635.435124	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M-H"	-1.007276
"902126"	544.473524	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-H"	-1.007276
"57600"	1106.980871	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M-2H+NH4"	16.019271
"497161"	1652.461671	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M-2H+NH4"	16.019271
"874968"	561.500071	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-2H+NH4"	16.019271
"40681"	1111.936266	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M-2H+Na"	20.974666
"483521"	1657.417066	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M-2H+Na"	20.974666
"862788"	566.455466	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-2H+Na"	20.974666
"1629763"	566.455466	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Na-2H"	20.974666
"108605"	562.461863	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M-H+Cl"	33.962126
"547681"	835.202263	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M-H+Cl"	33.962126
"940587"	289.721463	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-H+Cl"	33.962126
"280966"	1125.931002	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+Cl"	34.969402
"672532"	1671.411802	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+Cl"	34.969402
"1281657"	580.450202	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Cl"	34.969402
"25308"	1127.910206	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M-2H+K"	36.948606
"463776"	1673.391006	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M-2H+K"	36.948606
"840482"	582.429406	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-2H+K"	36.948606
"1563968"	582.429406	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+K-2H"	36.948606
"949662"	590.478994	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-H+HCOOH"	44.998194
"367514"	1135.959801	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+HCOOH-H"	44.998201
"350305"	1149.975451	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+Hac-H"	59.013851
"1498410"	604.494651	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Hac-H"	59.013851
"969239"	612.460951	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-H+NaCOOH"	66.980151
"125324"	580.450202	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+2Cl"	69.938804
"565004"	853.190602	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+2Cl"	69.938804
"1035259"	307.709802	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2Cl"	69.938804
"1248275"	624.399685	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Br"	78.918885
"1316192"	626.455672	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Cl+HCOOH"	80.974872
"1332595"	648.437629	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Cl+NaCOOH"	102.956829
"922559"	658.466386	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M-H+CF3COOH"	112.985586
"1297080"	694.443064	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Cl+CF3COOH"	148.962264
"1376335"	510.468124	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H-2H2O"	-35.012676
"1389458"	528.4781	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H-H2O"	-17.0027
"291332"	1091.968876	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+H"	1.007276
"680474"	1637.449676	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+H"	1.007276
"1356825"	546.488076	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H"	1.007276
"130805"	546.488076	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+2H"	2.014552
"571459"	819.228476	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+2H"	2.014552
"1046819"	273.747676	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2H"	2.014552
"213626"	364.661142666667	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+3H"	3.021828
"648809"	546.488076	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+3H"	3.021828
"1166938"	182.834209333333	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+3H"	3.021828
"430208"	1108.995423	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+NH4"	18.033823
"789014"	1654.476223	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+NH4"	18.033823
"1687534"	563.514623	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+NH4"	18.033823
"333631"	555.0013495	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+H+NH4"	19.041099
"726051"	827.7417495	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+H+NH4"	19.041099
"1480965"	282.2609495	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H+NH4"	19.041099
"400740"	1113.950818	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+Na"	22.989218
"759184"	1659.431618	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+Na"	22.989218
"1609834"	568.470018	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Na"	22.989218
"318777"	557.479047	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+H+Na"	23.996494
"711196"	830.219447	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+H+Na"	23.996494
"1466111"	284.738647	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H+Na"	23.996494
"1055714"	190.161523333333	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2H+Na"	25.00377
"1258853"	578.514286	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+CH3OH+H"	33.033486
"379978"	1129.924758	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+K"	38.963158
"740612"	1675.405558	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+K"	38.963158
"1542669"	584.443958	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+K"	38.963158
"307502"	565.466017	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+H+K"	39.970434
"698833"	838.206417	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+H+K"	39.970434
"1452651"	292.725617	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H+K"	39.970434
"245625"	1132.995426	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+ACN+H"	42.033826
"1217246"	587.514626	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+ACN+H"	42.033826
"1201131"	294.260951	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+ACN+2H"	43.041102
"192179"	1135.93276	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+2Na-H"	44.97116
"639033"	1681.41356	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+2Na-H"	44.97116
"1142537"	590.45196	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2Na-H"	44.97116
"184734"	568.470018	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+2Na"	45.978436
"624294"	841.210418	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+2Na"	45.978436
"1117961"	295.729618	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2Na"	45.978436
"1403670"	197.488837333333	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H+2Na"	46.985712
"1432869"	592.493546	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H+HCOOH"	47.012746
"223657"	573.50304	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+3H2O+2H"	56.04448
"1514637"	606.54559	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+IsoProp+H"	61.06479
"413232"	576.456988	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+Na+K"	61.952376
"775322"	849.197388	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+Na+K"	61.952376
"1670559"	303.716588	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Na+K"	61.952376
"257079"	1154.977368	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+ACN+Na"	64.015768
"1227965"	609.496568	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+ACN+Na"	64.015768
"1717588"	609.520093	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+NH4+HCOOH"	64.039293
"1184035"	204.816151333333	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+3Na"	68.967654
"1651010"	614.475488	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Na+HCOOH"	68.994688
"159694"	1167.88064	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+2K-H"	76.91904
"598523"	1713.36144	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+2K-H"	76.91904
"1085589"	622.39984	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2K-H"	76.91904
"143008"	584.443958	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"2M+2K"	77.926316
"581962"	857.184358	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"3M+2K"	77.926316
"1068658"	311.703558	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2K"	77.926316
"1100413"	624.414392	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2K+H"	78.933592
"1337531"	624.502007	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+DMSO+H"	79.021207
"1007155"	628.541176	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2ACN+H"	83.060376
"1529659"	629.534808	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+IsoProp+Na+H"	84.054008
"997201"	314.774226	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+2ACN+2H"	84.067652
"1591703"	630.449428	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+K+HCOOH"	84.968628
"1417725"	660.480938	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+H+CF3COOH"	115.000138
"1149471"	335.287501	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+3ACN+2H"	125.094202
"1705949"	677.507485	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+NH4+CF3COOH"	132.026685
"1636496"	682.46288	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+Na+CF3COOH"	136.98208
"1578345"	698.43682	"C21123"	"Aminobacteriohopanetriol"	"C35H63NO3"	"545.4808"	"M+K+CF3COOH"	152.95602
"804335"	202.0742	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M"	0
"980056"	183.05581	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-H2O-H"	-19.01839
"73767"	133.708857333333	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M-3H"	-3.021828
"507857"	201.066924	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M-3H"	-3.021828
"884567"	66.3507906666667	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-3H"	-3.021828
"3141"	201.066924	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M-2H"	-2.014552
"440511"	302.104024	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M-2H"	-2.014552
"821595"	100.029824	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-2H"	-2.014552
"79767"	403.141124	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M-H"	-1.007276
"519814"	605.215324	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M-H"	-1.007276
"903329"	201.066924	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-H"	-1.007276
"57710"	420.167671	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M-2H+NH4"	16.019271
"498362"	622.241871	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M-2H+NH4"	16.019271
"877265"	218.093471	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-2H+NH4"	16.019271
"44071"	425.123066	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M-2H+Na"	20.974666
"485453"	627.197266	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M-2H+Na"	20.974666
"862896"	223.048866	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-2H+Na"	20.974666
"1628779"	223.048866	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Na-2H"	20.974666
"109202"	219.055263	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M-H+Cl"	33.962126
"545963"	320.092363	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M-H+Cl"	33.962126
"940210"	118.018163	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-H+Cl"	33.962126
"280952"	439.117802	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+Cl"	34.969402
"671548"	641.192002	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+Cl"	34.969402
"1285046"	237.043602	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Cl"	34.969402
"27603"	441.097006	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M-2H+K"	36.948606
"467165"	643.171206	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M-2H+K"	36.948606
"843870"	239.022806	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-2H+K"	36.948606
"1565171"	239.022806	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+K-2H"	36.948606
"951959"	247.072394	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-H+HCOOH"	44.998194
"369084"	449.146601	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+HCOOH-H"	44.998201
"354061"	463.162251	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+Hac-H"	59.013851
"1498520"	261.088051	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Hac-H"	59.013851
"958887"	269.054351	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-H+NaCOOH"	66.980151
"124099"	237.043602	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+2Cl"	69.938804
"564386"	338.080702	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+2Cl"	69.938804
"1035005"	136.006502	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2Cl"	69.938804
"1253853"	280.993085	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Br"	78.918885
"1318858"	283.049072	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Cl+HCOOH"	80.974872
"1328332"	305.031029	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Cl+NaCOOH"	102.956829
"922669"	315.059786	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M-H+CF3COOH"	112.985586
"1300471"	351.036464	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Cl+CF3COOH"	148.962264
"1379725"	167.061524	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H-2H2O"	-35.012676
"1393941"	185.0715	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H-H2O"	-17.0027
"287432"	405.155676	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+H"	1.007276
"681677"	607.229876	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+H"	1.007276
"1360215"	203.081476	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H"	1.007276
"134195"	203.081476	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+2H"	2.014552
"574849"	304.118576	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+2H"	2.014552
"1048022"	102.044376	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2H"	2.014552
"213736"	135.723409333333	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+3H"	3.021828
"651111"	203.081476	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+3H"	3.021828
"1169237"	68.3653426666667	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+3H"	3.021828
"427040"	422.182223	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+NH4"	18.033823
"792405"	624.256423	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+NH4"	18.033823
"1686551"	220.108023	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+NH4"	18.033823
"338116"	211.5947495	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+H+NH4"	19.041099
"729443"	312.6318495	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+H+NH4"	19.041099
"1485451"	110.5576495	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H+NH4"	19.041099
"398667"	427.137618	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+Na"	22.989218
"759661"	629.211818	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+Na"	22.989218
"1609215"	225.063418	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Na"	22.989218
"319616"	214.072447	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+H+Na"	23.996494
"711307"	315.109547	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+H+Na"	23.996494
"1465133"	113.035347	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H+Na"	23.996494
"1055459"	75.6926566666667	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2H+Na"	25.00377
"1263330"	235.107686	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+CH3OH+H"	33.033486
"379723"	443.111558	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+K"	38.963158
"740357"	645.185758	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+K"	38.963158
"1542773"	241.037358	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+K"	38.963158
"308709"	222.059417	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+H+K"	39.970434
"697848"	323.096517	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+H+K"	39.970434
"1453856"	121.022317	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H+K"	39.970434
"240273"	446.182226	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+ACN+H"	42.033826
"1219541"	244.108026	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+ACN+H"	42.033826
"1199054"	122.557651	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+ACN+2H"	43.041102
"191925"	449.11956	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+2Na-H"	44.97116
"640604"	651.19376	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+2Na-H"	44.97116
"1140460"	247.04536	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2Na-H"	44.97116
"184844"	225.063418	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+2Na"	45.978436
"623312"	326.100518	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+2Na"	45.978436
"1124632"	124.026318	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2Na"	45.978436
"1410342"	83.0199706666667	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H+2Na"	46.985712
"1439176"	249.086946	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H+HCOOH"	47.012746
"231058"	230.09644	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+3H2O+2H"	56.04448
"1515841"	263.13899	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+IsoProp+H"	61.06479
"417716"	233.050388	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+Na+K"	61.952376
"776525"	334.087488	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+Na+K"	61.952376
"1670669"	132.013288	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Na+K"	61.952376
"257189"	468.164168	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+ACN+Na"	64.015768
"1228439"	266.089968	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+ACN+Na"	64.015768
"1718063"	266.113493	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+NH4+HCOOH"	64.039293
"1183782"	90.3472846666667	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+3Na"	68.967654
"1656226"	271.068888	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Na+HCOOH"	68.994688
"164179"	481.06744	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+2K-H"	76.91904
"601551"	683.14164	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+2K-H"	76.91904
"1087158"	278.99324	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2K-H"	76.91904
"145068"	241.037358	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"2M+2K"	77.926316
"583535"	342.074458	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"3M+2K"	77.926316
"1069055"	140.000258	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2K"	77.926316
"1102350"	281.007792	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2K+H"	78.933592
"1340922"	281.095407	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+DMSO+H"	79.021207
"1009451"	285.134576	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2ACN+H"	83.060376
"1530864"	286.128208	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+IsoProp+Na+H"	84.054008
"997310"	143.070926	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+2ACN+2H"	84.067652
"1592905"	287.042828	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+K+HCOOH"	84.968628
"1417835"	317.074338	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+H+CF3COOH"	115.000138
"1149581"	163.584201	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+3ACN+2H"	125.094202
"1706059"	334.100885	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+NH4+CF3COOH"	132.026685
"1635877"	339.05628	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+Na+CF3COOH"	136.98208
"1578455"	355.03022	"C21124"	"IPA imine;2-Imino-3-(indol-3-yl)propanoate"	"C11H10N2O2"	"202.0742"	"M+K+CF3COOH"	152.95602
"802623"	385.1063	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M"	0
"979073"	366.08791	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-H2O-H"	-19.01839
"73877"	255.730257333333	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M-3H"	-3.021828
"504323"	384.099024	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M-3H"	-3.021828
"883584"	127.361490666667	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-3H"	-3.021828
"4345"	384.099024	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M-2H"	-2.014552
"440376"	576.652174	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M-2H"	-2.014552
"819154"	191.545874	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-2H"	-2.014552
"78899"	769.205324	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M-H"	-1.007276
"518821"	1154.311624	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M-H"	-1.007276
"899064"	384.099024	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-H"	-1.007276
"61100"	786.231871	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M-2H+NH4"	16.019271
"498472"	1171.338171	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M-2H+NH4"	16.019271
"877375"	401.125571	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-2H+NH4"	16.019271
"44181"	791.187266	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M-2H+Na"	20.974666
"486171"	1176.293566	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M-2H+Na"	20.974666
"863734"	406.080966	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-2H+Na"	20.974666
"1629982"	406.080966	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Na-2H"	20.974666
"108700"	402.087363	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M-H+Cl"	33.962126
"549232"	594.640513	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M-H+Cl"	33.962126
"941531"	209.534213	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-H+Cl"	33.962126
"278140"	805.182002	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+Cl"	34.969402
"672749"	1190.288302	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+Cl"	34.969402
"1287466"	420.075702	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Cl"	34.969402
"27713"	807.161206	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M-2H+K"	36.948606
"467275"	1192.267506	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M-2H+K"	36.948606
"845073"	422.054906	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-2H+K"	36.948606
"1565278"	422.054906	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+K-2H"	36.948606
"952068"	430.104494	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-H+HCOOH"	44.998194
"362267"	815.210801	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+HCOOH-H"	44.998201
"353077"	829.226451	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+Hac-H"	59.013851
"1498629"	444.120151	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Hac-H"	59.013851
"958710"	452.086451	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-H+NaCOOH"	66.980151
"125426"	420.075702	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+2Cl"	69.938804
"565104"	612.628852	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+2Cl"	69.938804
"1033292"	227.522552	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2Cl"	69.938804
"1251776"	464.025185	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Br"	78.918885
"1319827"	466.081172	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Cl+HCOOH"	80.974872
"1334275"	488.063129	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Cl+NaCOOH"	102.956829
"922779"	498.091886	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M-H+CF3COOH"	112.985586
"1300581"	534.068564	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Cl+CF3COOH"	148.962264
"1376555"	350.093624	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H-2H2O"	-35.012676
"1389678"	368.1036	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H-H2O"	-17.0027
"287179"	771.219876	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+H"	1.007276
"686161"	1156.326176	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+H"	1.007276
"1360325"	386.113576	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H"	1.007276
"136492"	386.113576	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+2H"	2.014552
"577146"	578.666726	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+2H"	2.014552
"1048132"	193.560426	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2H"	2.014552
"212753"	257.744809333333	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+3H"	3.021828
"652315"	386.113576	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+3H"	3.021828
"1169347"	129.376042666667	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+3H"	3.021828
"427151"	788.246423	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+NH4"	18.033823
"789602"	1173.352723	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+NH4"	18.033823
"1688846"	403.140123	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+NH4"	18.033823
"337499"	394.6268495	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+H+NH4"	19.041099
"728459"	587.1799995	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+H+NH4"	19.041099
"1484468"	202.0736995	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H+NH4"	19.041099
"399871"	793.201818	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+Na"	22.989218
"757586"	1178.308118	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+Na"	22.989218
"1607870"	408.095518	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Na"	22.989218
"318997"	397.104547	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+H+Na"	23.996494
"712510"	589.657697	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+H+Na"	23.996494
"1464148"	204.551397	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H+Na"	23.996494
"1054476"	136.703356666667	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2H+Na"	25.00377
"1259796"	418.139786	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+CH3OH+H"	33.033486
"379104"	809.175758	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+K"	38.963158
"740467"	1194.282058	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+K"	38.963158
"1542883"	424.069458	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+K"	38.963158
"309912"	405.091517	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+H+K"	39.970434
"701238"	597.644667	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+H+K"	39.970434
"1455061"	212.538367	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H+K"	39.970434
"242570"	812.246426	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+ACN+H"	42.033826
"1218558"	427.140126	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+ACN+H"	42.033826
"1197340"	214.073701	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+ACN+2H"	43.041102
"193125"	815.18376	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+2Na-H"	44.97116
"642171"	1200.29006	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+2Na-H"	44.97116
"1140570"	430.07746	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2Na-H"	44.97116
"184954"	408.095518	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+2Na"	45.978436
"627795"	600.648668	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+2Na"	45.978436
"1129114"	215.542368	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2Na"	45.978436
"1408265"	144.030670666667	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H+2Na"	46.985712
"1439285"	432.119046	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H+HCOOH"	47.012746
"226793"	413.12854	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+3H2O+2H"	56.04448
"1518138"	446.17109	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+IsoProp+H"	61.06479
"417825"	416.082488	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+Na+K"	61.952376
"775906"	608.635638	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+Na+K"	61.952376
"1669319"	223.529338	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Na+K"	61.952376
"252194"	834.228368	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+ACN+Na"	64.015768
"1227086"	449.122068	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+ACN+Na"	64.015768
"1723273"	449.145593	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+NH4+HCOOH"	64.039293
"1186442"	151.357984666667	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+3Na"	68.967654
"1656334"	454.100988	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Na+HCOOH"	68.994688
"163196"	847.13164	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+2K-H"	76.91904
"600569"	1232.23794	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+2K-H"	76.91904
"1086539"	462.02534	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2K-H"	76.91904
"145178"	424.069458	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"2M+2K"	77.926316
"582548"	616.622608	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"3M+2K"	77.926316
"1070218"	231.516308	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2K"	77.926316
"1102460"	464.039892	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2K+H"	78.933592
"1341032"	464.127507	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+DMSO+H"	79.021207
"1007251"	468.166676	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2ACN+H"	83.060376
"1534253"	469.160308	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+IsoProp+Na+H"	84.054008
"1000699"	234.586976	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+2ACN+2H"	84.067652
"1593015"	470.074928	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+K+HCOOH"	84.968628
"1416122"	500.106438	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+H+CF3COOH"	115.000138
"1149691"	255.100251	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+3ACN+2H"	125.094202
"1706169"	517.132985	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+NH4+CF3COOH"	132.026685
"1635987"	522.08838	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+Na+CF3COOH"	136.98208
"1578565"	538.06232	"C21125"	"Chromopyrrolate;Chromopyrrolic acid"	"C22H15N3O4"	"385.1063"	"M+K+CF3COOH"	152.95602
"803462"	311.1059	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M"	0
"979183"	292.08751	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-H2O-H"	-19.01839
"73987"	206.396657333333	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M-3H"	-3.021828
"503705"	310.098624	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M-3H"	-3.021828
"883694"	102.694690666667	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-3H"	-3.021828
"5548"	310.098624	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M-2H"	-2.014552
"440283"	465.651574	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M-2H"	-2.014552
"817318"	154.545674	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-2H"	-2.014552
"79619"	621.204524	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M-H"	-1.007276
"520271"	932.310424	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M-H"	-1.007276
"899174"	310.098624	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-H"	-1.007276
"59023"	638.231071	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M-2H+NH4"	16.019271
"498582"	949.336971	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M-2H+NH4"	16.019271
"875298"	327.125171	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-2H+NH4"	16.019271
"44288"	643.186466	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M-2H+Na"	20.974666
"486403"	954.292366	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M-2H+Na"	20.974666
"862627"	332.080566	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-2H+Na"	20.974666
"1631914"	332.080566	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Na-2H"	20.974666
"109418"	328.086963	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M-H+Cl"	33.962126
"549749"	483.639913	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M-H+Cl"	33.962126
"941640"	172.534013	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-H+Cl"	33.962126
"276063"	657.181202	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+Cl"	34.969402
"668485"	968.287102	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+Cl"	34.969402
"1280889"	346.075302	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Cl"	34.969402
"30697"	659.160406	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M-2H+K"	36.948606
"468842"	970.266306	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M-2H+K"	36.948606
"845182"	348.054506	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-2H+K"	36.948606
"1564295"	348.054506	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+K-2H"	36.948606
"952180"	356.104094	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-H+HCOOH"	44.998194
"363837"	667.210001	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+HCOOH-H"	44.998201
"352094"	681.225651	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+Hac-H"	59.013851
"1497646"	370.119751	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Hac-H"	59.013851
"959228"	378.086051	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-H+NaCOOH"	66.980151
"125169"	346.075302	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+2Cl"	69.938804
"562417"	501.628252	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+2Cl"	69.938804
"1035589"	190.522352	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2Cl"	69.938804
"1254073"	390.024785	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Br"	78.918885
"1318835"	392.080772	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Cl+HCOOH"	80.974872
"1333655"	414.062729	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Cl+NaCOOH"	102.956829
"925076"	424.091486	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M-H+CF3COOH"	112.985586
"1294131"	460.068164	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Cl+CF3COOH"	148.962264
"1376665"	276.093224	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H-2H2O"	-35.012676
"1386508"	294.1032	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H-H2O"	-17.0027
"289476"	623.219076	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+H"	1.007276
"688458"	934.324976	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+H"	1.007276
"1360435"	312.113176	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H"	1.007276
"136602"	312.113176	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+2H"	2.014552
"576163"	467.666126	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+2H"	2.014552
"1048242"	156.560226	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2H"	2.014552
"212863"	208.411209333333	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+3H"	3.021828
"650238"	312.113176	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+3H"	3.021828
"1169457"	104.709242666667	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+3H"	3.021828
"428354"	640.245623	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+NH4"	18.033823
"791534"	951.351523	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+NH4"	18.033823
"1691143"	329.139723	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+NH4"	18.033823
"337246"	320.6264495	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+H+NH4"	19.041099
"730756"	476.1793995	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+H+NH4"	19.041099
"1486764"	165.0734995	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H+NH4"	19.041099
"398520"	645.201018	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+Na"	22.989218
"756604"	956.306918	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+Na"	22.989218
"1606888"	334.095118	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Na"	22.989218
"320200"	323.104147	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+H+Na"	23.996494
"710434"	478.657097	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+H+Na"	23.996494
"1465349"	167.551197	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H+Na"	23.996494
"1054951"	112.036556666667	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2H+Na"	25.00377
"1259907"	344.139386	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+CH3OH+H"	33.033486
"379214"	661.174958	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+K"	38.963158
"740574"	972.280858	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+K"	38.963158
"1540807"	350.069058	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+K"	38.963158
"310022"	331.091117	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+H+K"	39.970434
"702441"	486.644067	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+H+K"	39.970434
"1458451"	175.538167	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H+K"	39.970434
"244867"	664.245626	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+ACN+H"	42.033826
"1220854"	353.139726	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+ACN+H"	42.033826
"1200366"	177.073501	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+ACN+2H"	43.041102
"194330"	667.18296	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+2Na-H"	44.97116
"643495"	978.28886	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+2Na-H"	44.97116
"1137400"	356.07706	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2Na-H"	44.97116
"186157"	334.095118	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+2Na"	45.978436
"626690"	489.648068	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+2Na"	45.978436
"1129712"	178.542168	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2Na"	45.978436
"1410561"	119.363870666667	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H+2Na"	46.985712
"1439395"	358.118646	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H+HCOOH"	47.012746
"224716"	339.12814	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+3H2O+2H"	56.04448
"1516061"	372.17069	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+IsoProp+H"	61.06479
"414652"	342.082088	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+Na+K"	61.952376
"780022"	497.635038	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+Na+K"	61.952376
"1667606"	186.529138	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Na+K"	61.952376
"253031"	686.227568	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+ACN+Na"	64.015768
"1230110"	375.121668	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+ACN+Na"	64.015768
"1713408"	375.145193	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+NH4+HCOOH"	64.039293
"1186552"	126.691184666667	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+3Na"	68.967654
"1656445"	380.100588	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Na+HCOOH"	68.994688
"162214"	699.13084	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+2K-H"	76.91904
"599586"	1010.23674	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+2K-H"	76.91904
"1089565"	388.02494	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2K-H"	76.91904
"146381"	350.069058	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"2M+2K"	77.926316
"584849"	505.622008	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"3M+2K"	77.926316
"1069481"	194.516108	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2K"	77.926316
"1103663"	390.039492	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2K+H"	78.933592
"1343329"	390.127107	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+DMSO+H"	79.021207
"1008579"	394.166276	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2ACN+H"	83.060376
"1536549"	395.159908	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+IsoProp+Na+H"	84.054008
"1002996"	197.586776	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+2ACN+2H"	84.067652
"1592033"	396.074528	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+K+HCOOH"	84.968628
"1415868"	426.106038	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+H+CF3COOH"	115.000138
"1149073"	218.100051	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+3ACN+2H"	125.094202
"1706279"	443.132585	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+NH4+CF3COOH"	132.026685
"1635733"	448.08798	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+Na+CF3COOH"	136.98208
"1578675"	464.06192	"C21126"	"K-252c"	"C20H13N3O"	"311.1059"	"M+K+CF3COOH"	152.95602
"802479"	440.1848	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M"	0
"979293"	421.16641	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-H2O-H"	-19.01839
"74097"	292.449257333333	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M-3H"	-3.021828
"504908"	439.177524	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M-3H"	-3.021828
"883804"	145.720990666667	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-3H"	-3.021828
"5658"	439.177524	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M-2H"	-2.014552
"441206"	659.269924	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M-2H"	-2.014552
"818645"	219.085124	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-2H"	-2.014552
"79362"	879.362324	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M-H"	-1.007276
"519647"	1319.547124	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M-H"	-1.007276
"896609"	439.177524	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-H"	-1.007276
"59862"	896.388871	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M-2H+NH4"	16.019271
"498692"	1336.573671	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M-2H+NH4"	16.019271
"875408"	456.204071	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-2H+NH4"	16.019271
"44885"	901.344266	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M-2H+Na"	20.974666
"485056"	1341.529066	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M-2H+Na"	20.974666
"860671"	461.159466	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-2H+Na"	20.974666
"1631294"	461.159466	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Na-2H"	20.974666
"106732"	457.165863	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M-H+Cl"	33.962126
"548846"	677.258263	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M-H+Cl"	33.962126
"941754"	237.073463	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-H+Cl"	33.962126
"276174"	915.339002	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+Cl"	34.969402
"666772"	1355.523802	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+Cl"	34.969402
"1280999"	475.154202	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Cl"	34.969402
"30243"	917.318206	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M-2H+K"	36.948606
"468584"	1357.503006	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M-2H+K"	36.948606
"844199"	477.133406	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-2H+K"	36.948606
"1562219"	477.133406	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+K-2H"	36.948606
"950103"	485.182994	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-H+HCOOH"	44.998194
"363218"	925.367801	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+HCOOH-H"	44.998201
"347099"	939.383451	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+Hac-H"	59.013851
"1498849"	499.198651	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Hac-H"	59.013851
"959461"	507.164951	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-H+NaCOOH"	66.980151
"124788"	475.154202	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+2Cl"	69.938804
"561433"	695.246602	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+2Cl"	69.938804
"1033512"	255.061802	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2Cl"	69.938804
"1254183"	519.103685	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Br"	78.918885
"1314447"	521.159672	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Cl+HCOOH"	80.974872
"1327569"	543.141629	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Cl+NaCOOH"	102.956829
"919719"	553.170386	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M-H+CF3COOH"	112.985586
"1290961"	589.147064	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Cl+CF3COOH"	148.962264
"1371308"	405.172124	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H-2H2O"	-35.012676
"1383702"	423.1821	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H-H2O"	-17.0027
"288492"	881.376876	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+H"	1.007276
"686381"	1321.561676	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+H"	1.007276
"1360545"	441.192076	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H"	1.007276
"133433"	441.192076	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+2H"	2.014552
"576273"	661.284476	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+2H"	2.014552
"1048352"	221.099676	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2H"	2.014552
"212973"	294.463809333333	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+3H"	3.021828
"650348"	441.192076	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+3H"	3.021828
"1169567"	147.735542666667	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+3H"	3.021828
"427735"	898.403423	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+NH4"	18.033823
"792737"	1338.588223	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+NH4"	18.033823
"1690161"	458.218623	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+NH4"	18.033823
"338449"	449.7053495	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+H+NH4"	19.041099
"731959"	669.7977495	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+H+NH4"	19.041099
"1486874"	229.6129495	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H+NH4"	19.041099
"399359"	903.358818	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+Na"	22.989218
"758897"	1343.543618	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+Na"	22.989218
"1606266"	463.174018	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Na"	22.989218
"319217"	452.183047	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+H+Na"	23.996494
"709451"	672.275447	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+H+Na"	23.996494
"1463637"	232.090647	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H+Na"	23.996494
"1055061"	155.062856666667	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2H+Na"	25.00377
"1260382"	473.218286	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+CH3OH+H"	33.033486
"381146"	919.332758	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+K"	38.963158
"740684"	1359.517558	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+K"	38.963158
"1543103"	479.147958	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+K"	38.963158
"309039"	460.170017	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+H+K"	39.970434
"703644"	680.262417	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+H+K"	39.970434
"1458561"	240.077617	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H+K"	39.970434
"246070"	922.403426	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+ACN+H"	42.033826
"1217685"	482.218626	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+ACN+H"	42.033826
"1200476"	241.612951	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+ACN+2H"	43.041102
"193347"	925.34076	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+2Na-H"	44.97116
"642511"	1365.52556	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+2Na-H"	44.97116
"1139697"	485.15596	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2Na-H"	44.97116
"185174"	463.174018	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+2Na"	45.978436
"626921"	683.266418	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+2Na"	45.978436
"1130185"	243.081618	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2Na"	45.978436
"1410671"	162.390170666667	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H+2Na"	46.985712
"1439505"	487.197546	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H+HCOOH"	47.012746
"224826"	468.20704	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+3H2O+2H"	56.04448
"1513255"	501.24959	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+IsoProp+H"	61.06479
"414033"	471.160988	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+Na+K"	61.952376
"778310"	691.253388	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+Na+K"	61.952376
"1666987"	251.068588	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Na+K"	61.952376
"254599"	944.385368	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+ACN+Na"	64.015768
"1232410"	504.200568	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+ACN+Na"	64.015768
"1714124"	504.224093	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+NH4+HCOOH"	64.039293
"1186295"	169.717484666667	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+3Na"	68.967654
"1654727"	509.179488	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Na+HCOOH"	68.994688
"164511"	957.28864	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+2K-H"	76.91904
"599696"	1397.47344	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+2K-H"	76.91904
"1088582"	517.10384	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2K-H"	76.91904
"145398"	479.147958	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"2M+2K"	77.926316
"584959"	699.240358	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"3M+2K"	77.926316
"1070927"	259.055558	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2K"	77.926316
"1101587"	519.118392	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2K+H"	78.933592
"1340159"	519.206007	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+DMSO+H"	79.021207
"1007595"	523.245176	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2ACN+H"	83.060376
"1533378"	524.238808	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+IsoProp+Na+H"	84.054008
"1002013"	262.126226	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+2ACN+2H"	84.067652
"1592143"	525.153428	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+K+HCOOH"	84.968628
"1416708"	555.184938	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+H+CF3COOH"	115.000138
"1151369"	282.639501	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+3ACN+2H"	125.094202
"1706390"	572.211485	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+NH4+CF3COOH"	132.026685
"1636936"	577.16688	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+Na+CF3COOH"	136.98208
"1578785"	593.14082	"C21127"	"Holyrine A"	"C26H24N4O3"	"440.1848"	"M+K+CF3COOH"	152.95602
"809150"	438.1692	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M"	0
"979403"	419.15081	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-H2O-H"	-19.01839
"74207"	291.105524	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M-3H"	-3.021828
"506111"	437.161924	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M-3H"	-3.021828
"885007"	145.049124	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-3H"	-3.021828
"2487"	437.161924	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M-2H"	-2.014552
"440464"	656.246524	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M-2H"	-2.014552
"822036"	218.077324	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-2H"	-2.014552
"79472"	875.331124	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M-H"	-1.007276
"519518"	1313.500324	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M-H"	-1.007276
"895855"	437.161924	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-H"	-1.007276
"54869"	892.357671	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M-2H+NH4"	16.019271
"493334"	1330.526871	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M-2H+NH4"	16.019271
"878796"	454.188471	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-2H+NH4"	16.019271
"41227"	897.313066	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M-2H+Na"	20.974666
"482974"	1335.482266	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M-2H+Na"	20.974666
"863217"	459.143866	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-2H+Na"	20.974666
"1633227"	459.143866	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Na-2H"	20.974666
"109274"	455.150263	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M-H+Cl"	33.962126
"549326"	674.234863	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M-H+Cl"	33.962126
"942435"	236.065663	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-H+Cl"	33.962126
"281880"	911.307802	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+Cl"	34.969402
"666517"	1349.477002	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+Cl"	34.969402
"1282202"	473.138602	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Cl"	34.969402
"30232"	913.287006	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M-2H+K"	36.948606
"468693"	1351.456206	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M-2H+K"	36.948606
"844309"	475.117806	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-2H+K"	36.948606
"1565608"	475.117806	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+K-2H"	36.948606
"946933"	483.167394	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-H+HCOOH"	44.998194
"368433"	921.336601	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+HCOOH-H"	44.998201
"353411"	935.352251	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+Hac-H"	59.013851
"1498962"	497.183051	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Hac-H"	59.013851
"960664"	505.149351	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-H+NaCOOH"	66.980151
"125384"	473.138602	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+2Cl"	69.938804
"562636"	692.223202	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+2Cl"	69.938804
"1036297"	254.054002	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2Cl"	69.938804
"1255386"	517.088085	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Br"	78.918885
"1314556"	519.144072	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Cl+HCOOH"	80.974872
"1323305"	541.126029	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Cl+NaCOOH"	102.956829
"916550"	551.154786	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M-H+CF3COOH"	112.985586
"1288600"	587.131464	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Cl+CF3COOH"	148.962264
"1374699"	403.156524	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H-2H2O"	-35.012676
"1387822"	421.1665	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H-H2O"	-17.0027
"294071"	877.345676	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+H"	1.007276
"683211"	1315.514876	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+H"	1.007276
"1361748"	439.176476	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H"	1.007276
"139010"	439.176476	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+2H"	2.014552
"576383"	658.261076	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+2H"	2.014552
"1051743"	220.091876	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2H"	2.014552
"218918"	293.120076	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+3H"	3.021828
"652646"	439.176476	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+3H"	3.021828
"1172958"	147.063676	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+3H"	3.021828
"432949"	894.372223	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+NH4"	18.033823
"799046"	1332.541423	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+NH4"	18.033823
"1696594"	456.203023	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+NH4"	18.033823
"337461"	447.6897495	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+H+NH4"	19.041099
"729882"	666.7743495	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+H+NH4"	19.041099
"1482610"	228.6051495	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H+NH4"	19.041099
"398011"	899.327618	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+Na"	22.989218
"757183"	1337.496818	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+Na"	22.989218
"1606007"	461.158418	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Na"	22.989218
"314951"	450.167447	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+H+Na"	23.996494
"708343"	669.252047	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+H+Na"	23.996494
"1463378"	231.082847	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H+Na"	23.996494
"1055529"	154.39099	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2H+Na"	25.00377
"1257936"	471.202686	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+CH3OH+H"	33.033486
"379068"	915.301558	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+K"	38.963158
"740064"	1353.470758	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+K"	38.963158
"1544306"	477.132358	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+K"	38.963158
"309146"	458.154417	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+H+K"	39.970434
"702661"	677.239017	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+H+K"	39.970434
"1457579"	239.069817	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H+K"	39.970434
"242901"	918.372226	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+ACN+H"	42.033826
"1217797"	480.203026	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+ACN+H"	42.033826
"1201682"	240.605151	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+ACN+2H"	43.041102
"197832"	921.30956	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+2Na-H"	44.97116
"639584"	1359.47876	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+2Na-H"	44.97116
"1138714"	483.14036	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2Na-H"	44.97116
"182004"	461.158418	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+2Na"	45.978436
"620471"	680.243018	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+2Na"	45.978436
"1123976"	242.073818	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2Na"	45.978436
"1403490"	161.718304	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H+2Na"	46.985712
"1437429"	485.181946	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H+HCOOH"	47.012746
"222018"	466.19144	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+3H2O+2H"	56.04448
"1513365"	499.23399	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+IsoProp+H"	61.06479
"415967"	469.145388	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+Na+K"	61.952376
"778056"	688.229988	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+Na+K"	61.952376
"1667826"	250.060788	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Na+K"	61.952376
"255075"	940.354168	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+ACN+Na"	64.015768
"1228146"	502.184968	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+ACN+Na"	64.015768
"1714849"	502.208493	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+NH4+HCOOH"	64.039293
"1179350"	169.045618	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+3Na"	68.967654
"1649966"	507.163888	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Na+HCOOH"	68.994688
"157144"	953.25744	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+2K-H"	76.91904
"608556"	1391.42664	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+2K-H"	76.91904
"1097442"	515.08824	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2K-H"	76.91904
"150978"	477.132358	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"2M+2K"	77.926316
"585071"	696.216958	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"3M+2K"	77.926316
"1075050"	258.047758	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2K"	77.926316
"1112635"	517.102792	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2K+H"	78.933592
"1348656"	517.190407	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+DMSO+H"	79.021207
"1017549"	521.229576	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2ACN+H"	83.060376
"1533488"	522.223208	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+IsoProp+Na+H"	84.054008
"1003217"	261.118426	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+2ACN+2H"	84.067652
"1594440"	523.137828	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+K+HCOOH"	84.968628
"1423380"	553.169338	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+H+CF3COOH"	115.000138
"1154761"	281.631701	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+3ACN+2H"	125.094202
"1708687"	570.195885	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+NH4+CF3COOH"	132.026685
"1641057"	575.15128	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+Na+CF3COOH"	136.98208
"1578895"	591.12522	"C21128"	"O-Demethyl-N-demethyl-staurosporine;3-O-Demethyl-4-N-demethyl-staurosporine"	"C26H22N4O3"	"438.1692"	"M+K+CF3COOH"	152.95602
"802700"	422.2668	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M"	0
"980607"	403.24841	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-H2O-H"	-19.01839
"75412"	280.503924	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M-3H"	-3.021828
"511691"	421.259524	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M-3H"	-3.021828
"884025"	139.748324	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-3H"	-3.021828
"2597"	421.259524	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M-2H"	-2.014552
"441065"	632.392924	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M-2H"	-2.014552
"817647"	210.126124	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-2H"	-2.014552
"80554"	843.526324	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M-H"	-1.007276
"520732"	1265.793124	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M-H"	-1.007276
"903885"	421.259524	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-H"	-1.007276
"51698"	860.552871	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M-2H+NH4"	16.019271
"501838"	1282.819671	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M-2H+NH4"	16.019271
"879521"	438.286071	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-2H+NH4"	16.019271
"45714"	865.508266	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M-2H+Na"	20.974666
"486009"	1287.775066	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M-2H+Na"	20.974666
"863082"	443.241466	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-2H+Na"	20.974666
"1633628"	443.241466	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Na-2H"	20.974666
"109391"	439.247863	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M-H+Cl"	33.962126
"549516"	650.381263	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M-H+Cl"	33.962126
"941729"	228.114463	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-H+Cl"	33.962126
"278580"	879.503002	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+Cl"	34.969402
"673921"	1301.769802	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+Cl"	34.969402
"1285600"	457.236202	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Cl"	34.969402
"30098"	881.482206	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M-2H+K"	36.948606
"467711"	1303.749006	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M-2H+K"	36.948606
"841139"	459.215406	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-2H+K"	36.948606
"1565722"	459.215406	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+K-2H"	36.948606
"955794"	467.264994	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-H+HCOOH"	44.998194
"368543"	889.531801	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+HCOOH-H"	44.998201
"352428"	903.547451	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+Hac-H"	59.013851
"1493598"	481.280651	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Hac-H"	59.013851
"968812"	489.246951	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-H+NaCOOH"	66.980151
"119907"	457.236202	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+2Cl"	69.938804
"558373"	668.369602	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+2Cl"	69.938804
"1032639"	246.102802	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2Cl"	69.938804
"1252218"	501.185685	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Br"	78.918885
"1314665"	503.241672	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Cl+HCOOH"	80.974872
"1327788"	525.223629	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Cl+NaCOOH"	102.956829
"919940"	535.252386	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M-H+CF3COOH"	112.985586
"1291545"	571.229064	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Cl+CF3COOH"	148.962264
"1367135"	387.254124	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H-2H2O"	-35.012676
"1387932"	405.2641	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H-H2O"	-17.0027
"285432"	845.540876	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+H"	1.007276
"684414"	1267.807676	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+H"	1.007276
"1361860"	423.274076	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H"	1.007276
"139122"	423.274076	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+2H"	2.014552
"575400"	634.407476	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+2H"	2.014552
"1046388"	212.140676	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2H"	2.014552
"211006"	282.518476	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+3H"	3.021828
"652750"	423.274076	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+3H"	3.021828
"1165412"	141.762876	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+3H"	3.021828
"429778"	862.567423	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+NH4"	18.033823
"791865"	1284.834223	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+NH4"	18.033823
"1689293"	440.300623	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+NH4"	18.033823
"334292"	431.7873495	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+H+NH4"	19.041099
"725619"	642.9207495	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+H+NH4"	19.041099
"1482720"	220.6539495	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H+NH4"	19.041099
"397027"	867.522818	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+Na"	22.989218
"757294"	1289.789618	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+Na"	22.989218
"1604297"	445.256018	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Na"	22.989218
"315423"	434.265047	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+H+Na"	23.996494
"707726"	645.398447	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+H+Na"	23.996494
"1461664"	223.131647	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H+Na"	23.996494
"1053330"	149.09019	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2H+Na"	25.00377
"1257804"	455.300286	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+CH3OH+H"	33.033486
"378807"	883.496758	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+K"	38.963158
"739563"	1305.763558	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+K"	38.963158
"1543323"	461.229958	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+K"	38.963158
"301593"	442.252017	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+H+K"	39.970434
"692559"	653.385417	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+H+K"	39.970434
"1456593"	231.118617	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H+K"	39.970434
"245193"	886.567426	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+ACN+H"	42.033826
"1219003"	464.300626	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+ACN+H"	42.033826
"1202885"	232.653951	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+ACN+2H"	43.041102
"196851"	889.50476	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+2Na-H"	44.97116
"634225"	1311.77156	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+2Na-H"	44.97116
"1134448"	467.23796	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2Na-H"	44.97116
"175549"	445.256018	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+2Na"	45.978436
"618027"	656.389418	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+2Na"	45.978436
"1121170"	234.122618	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2Na"	45.978436
"1402506"	156.417504	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H+2Na"	46.985712
"1433529"	469.279546	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H+HCOOH"	47.012746
"227236"	450.28904	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+3H2O+2H"	56.04448
"1519672"	483.33159	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+IsoProp+H"	61.06479
"419357"	453.242988	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+Na+K"	61.952376
"775249"	664.376388	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+Na+K"	61.952376
"1668664"	242.109588	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Na+K"	61.952376
"252267"	908.549368	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+ACN+Na"	64.015768
"1230447"	486.282568	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+ACN+Na"	64.015768
"1712809"	486.306093	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+NH4+HCOOH"	64.039293
"1180313"	163.744818	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+3Na"	68.967654
"1654946"	491.261488	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Na+HCOOH"	68.994688
"166919"	921.45264	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+2K-H"	76.91904
"606480"	1343.71944	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+2K-H"	76.91904
"1095367"	499.18584	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2K-H"	76.91904
"146716"	461.229958	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"2M+2K"	77.926316
"585181"	672.363358	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"3M+2K"	77.926316
"1076254"	250.096558	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2K"	77.926316
"1107276"	501.200392	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2K+H"	78.933592
"1345848"	501.288007	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+DMSO+H"	79.021207
"1012193"	505.327176	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2ACN+H"	83.060376
"1536879"	506.320808	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+IsoProp+Na+H"	84.054008
"1003328"	253.167226	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+2ACN+2H"	84.067652
"1594550"	507.235428	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+K+HCOOH"	84.968628
"1423490"	537.266938	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+H+CF3COOH"	115.000138
"1162287"	273.680501	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+3ACN+2H"	125.094202
"1711956"	554.293485	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+NH4+CF3COOH"	132.026685
"1644447"	559.24888	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+Na+CF3COOH"	136.98208
"1573539"	575.22282	"C21130"	"Lovastatin acid"	"C24H38O6"	"422.2668"	"M+K+CF3COOH"	152.95602
"809371"	341.1164	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M"	0
"986185"	322.09801	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-H2O-H"	-19.01839
"75522"	226.403657333333	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M-3H"	-3.021828
"511801"	340.109124	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M-3H"	-3.021828
"884135"	112.698190666667	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-3H"	-3.021828
"2708"	340.109124	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M-2H"	-2.014552
"441295"	510.667324	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M-2H"	-2.014552
"819703"	169.550924	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-2H"	-2.014552
"80786"	681.225524	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M-H"	-1.007276
"520721"	1022.341924	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M-H"	-1.007276
"903995"	340.109124	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-H"	-1.007276
"50715"	698.252071	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M-2H+NH4"	16.019271
"502316"	1039.368471	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M-2H+NH4"	16.019271
"879818"	357.135671	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-2H+NH4"	16.019271
"46896"	703.207466	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M-2H+Na"	20.974666
"486609"	1044.323866	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M-2H+Na"	20.974666
"864010"	362.091066	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-2H+Na"	20.974666
"1633340"	362.091066	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Na-2H"	20.974666
"109139"	358.097463	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M-H+Cl"	33.962126
"548451"	528.655663	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M-H+Cl"	33.962126
"942695"	187.539263	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-H+Cl"	33.962126
"282794"	717.202202	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+Cl"	34.969402
"675008"	1058.318602	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+Cl"	34.969402
"1286804"	376.085802	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Cl"	34.969402
"29238"	719.181406	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M-2H+K"	36.948606
"468921"	1060.297806	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M-2H+K"	36.948606
"844534"	378.065006	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-2H+K"	36.948606
"1569843"	378.065006	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+K-2H"	36.948606
"955904"	386.114594	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-H+HCOOH"	44.998194
"371933"	727.231001	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+HCOOH-H"	44.998201
"355818"	741.246651	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+Hac-H"	59.013851
"1493832"	400.130251	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Hac-H"	59.013851
"971837"	408.096551	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-H+NaCOOH"	66.980151
"120017"	376.085802	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+2Cl"	69.938804
"560670"	546.644002	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+2Cl"	69.938804
"1030563"	205.527602	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2Cl"	69.938804
"1247954"	420.035285	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Br"	78.918885
"1314777"	422.091272	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Cl+HCOOH"	80.974872
"1325712"	444.073229	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Cl+NaCOOH"	102.956829
"916770"	454.101986	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M-H+CF3COOH"	112.985586
"1289832"	490.078664	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Cl+CF3COOH"	148.962264
"1367503"	306.103724	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H-2H2O"	-35.012676
"1384762"	324.1137	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H-H2O"	-17.0027
"285542"	683.240076	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+H"	1.007276
"679057"	1024.356476	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+H"	1.007276
"1364156"	342.123676	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H"	1.007276
"140934"	342.123676	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+2H"	2.014552
"576603"	512.681876	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+2H"	2.014552
"1047591"	171.565476	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2H"	2.014552
"210023"	228.418209333333	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+3H"	3.021828
"651768"	342.123676	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+3H"	3.021828
"1166616"	114.712742666667	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+3H"	3.021828
"429888"	700.266623	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+NH4"	18.033823
"795255"	1041.383023	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+NH4"	18.033823
"1689403"	359.150223	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+NH4"	18.033823
"333672"	350.6369495	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+H+NH4"	19.041099
"728277"	521.1951495	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+H+NH4"	19.041099
"1481736"	180.0787495	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H+NH4"	19.041099
"396043"	705.222018	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+Na"	22.989218
"757040"	1046.338418	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+Na"	22.989218
"1604770"	364.105618	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Na"	22.989218
"317721"	353.114647	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+H+Na"	23.996494
"709049"	523.672847	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+H+Na"	23.996494
"1465060"	182.556447	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H+Na"	23.996494
"1053808"	122.040056666667	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2H+Na"	25.00377
"1257916"	374.149886	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+CH3OH+H"	33.033486
"380377"	721.195958	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+K"	38.963158
"740281"	1062.312358	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+K"	38.963158
"1541246"	380.079558	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+K"	38.963158
"299637"	361.101617	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+H+K"	39.970434
"691900"	531.659817	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+H+K"	39.970434
"1457796"	190.543417	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H+K"	39.970434
"240929"	724.266626	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+ACN+H"	42.033826
"1214737"	383.150226	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+ACN+H"	42.033826
"1201901"	192.078751	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+ACN+2H"	43.041102
"199148"	727.20396	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+2Na-H"	44.97116
"639802"	1068.32036	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+2Na-H"	44.97116
"1134560"	386.08756	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2Na-H"	44.97116
"179308"	364.105618	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+2Na"	45.978436
"618504"	534.663818	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+2Na"	45.978436
"1119821"	193.547418	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2Na"	45.978436
"1401157"	129.367370666667	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H+2Na"	46.985712
"1434002"	388.129146	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H+HCOOH"	47.012746
"227347"	369.13864	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+3H2O+2H"	56.04448
"1520875"	402.18119	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+IsoProp+H"	61.06479
"417281"	372.092588	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+Na+K"	61.952376
"779369"	542.650788	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+Na+K"	61.952376
"1669868"	201.534388	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Na+K"	61.952376
"252378"	746.248568	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+ACN+Na"	64.015768
"1230558"	405.132168	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+ACN+Na"	64.015768
"1717257"	405.155693	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+NH4+HCOOH"	64.039293
"1181153"	136.694684666667	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+3Na"	68.967654
"1653964"	410.111088	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Na+HCOOH"	68.994688
"167029"	759.15184	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+2K-H"	76.91904
"607682"	1100.26824	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+2K-H"	76.91904
"1093287"	418.03544	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2K-H"	76.91904
"151199"	380.079558	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"2M+2K"	77.926316
"592946"	550.637758	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"3M+2K"	77.926316
"1077458"	209.521358	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2K"	77.926316
"1110667"	420.049992	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2K+H"	78.933592
"1348875"	420.137607	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+DMSO+H"	79.021207
"1015583"	424.176776	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2ACN+H"	83.060376
"1530427"	425.170408	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+IsoProp+Na+H"	84.054008
"996875"	212.592026	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+2ACN+2H"	84.067652
"1591378"	426.085028	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+K+HCOOH"	84.968628
"1423600"	456.116538	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+H+CF3COOH"	115.000138
"1161544"	233.105301	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+3ACN+2H"	125.094202
"1712187"	473.143085	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+NH4+CF3COOH"	132.026685
"1647837"	478.09848	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+Na+CF3COOH"	136.98208
"1582397"	494.07242	"C21131"	"Protodeoxyviolaceinic acid;Protodeoxyviolaceinate"	"C21H15N3O2"	"341.1164"	"M+K+CF3COOH"	152.95602
"803647"	357.1113	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M"	0
"983015"	338.09291	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H2O-H"	-19.01839
"63966"	237.066924	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-3H"	-3.021828
"504620"	356.104024	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-3H"	-3.021828
"883146"	118.029824	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-3H"	-3.021828
"2450"	356.104024	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H"	-2.014552
"442740"	534.659674	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H"	-2.014552
"818719"	177.548374	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H"	-2.014552
"79274"	713.215324	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-H"	-1.007276
"520100"	1070.326624	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-H"	-1.007276
"903012"	356.104024	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H"	-1.007276
"50824"	730.241871	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H+NH4"	16.019271
"501085"	1087.353171	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H+NH4"	16.019271
"879011"	373.130571	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H+NH4"	16.019271
"40469"	735.197266	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H+Na"	20.974666
"485495"	1092.308566	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H+Na"	20.974666
"861113"	378.085966	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H+Na"	20.974666
"1631376"	378.085966	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na-2H"	20.974666
"109606"	374.092363	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-H+Cl"	33.962126
"549735"	552.648013	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-H+Cl"	33.962126
"941220"	195.536713	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+Cl"	33.962126
"282617"	749.192002	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Cl"	34.969402
"673053"	1106.303302	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+Cl"	34.969402
"1287399"	392.080702	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl"	34.969402
"30075"	751.171206	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H+K"	36.948606
"471095"	1108.282506	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H+K"	36.948606
"847923"	394.059906	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H+K"	36.948606
"1562660"	394.059906	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K-2H"	36.948606
"957109"	402.109494	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+HCOOH"	44.998194
"375324"	759.220801	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+HCOOH-H"	44.998201
"359207"	773.236451	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Hac-H"	59.013851
"1493461"	416.125151	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Hac-H"	59.013851
"966844"	424.091451	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+NaCOOH"	66.980151
"122314"	392.080702	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2Cl"	69.938804
"560780"	570.636352	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2Cl"	69.938804
"1035046"	213.525052	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2Cl"	69.938804
"1244783"	436.030185	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Br"	78.918885
"1308325"	438.086172	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl+HCOOH"	80.974872
"1328008"	460.068129	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl+NaCOOH"	102.956829
"916879"	470.096886	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+CF3COOH"	112.985586
"1292857"	506.073564	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl+CF3COOH"	148.962264
"1367489"	322.098624	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H-2H2O"	-35.012676
"1383533"	340.1086	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H-H2O"	-17.0027
"283096"	715.229876	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H"	1.007276
"677709"	1072.341176	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H"	1.007276
"1364266"	358.118576	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H"	1.007276
"140434"	358.118576	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2H"	2.014552
"575620"	536.674226	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2H"	2.014552
"1044421"	179.562926	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2H"	2.014552
"209040"	239.081476	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+3H"	3.021828
"649693"	358.118576	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+3H"	3.021828
"1168914"	120.044376	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+3H"	3.021828
"431092"	732.256423	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+NH4"	18.033823
"793180"	1089.367723	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+NH4"	18.033823
"1688419"	375.145123	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+NH4"	18.033823
"332687"	366.6318495	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H+NH4"	19.041099
"730208"	545.1874995	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H+NH4"	19.041099
"1481845"	188.0761995	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+NH4"	19.041099
"396515"	737.211818	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Na"	22.989218
"757150"	1094.323118	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+Na"	22.989218
"1606339"	380.100518	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na"	22.989218
"316740"	369.109547	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H+Na"	23.996494
"708796"	547.665197	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H+Na"	23.996494
"1464804"	190.553897	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+Na"	23.996494
"1055497"	127.37169	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2H+Na"	25.00377
"1259725"	390.144786	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+CH3OH+H"	33.033486
"378299"	753.185758	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+K"	38.963158
"740388"	1110.297058	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+K"	38.963158
"1541721"	396.074458	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K"	38.963158
"298897"	377.096517	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H+K"	39.970434
"697522"	555.652167	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H+K"	39.970434
"1453532"	198.540867	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+K"	39.970434
"238487"	756.256426	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+ACN+H"	42.033826
"1211193"	399.145126	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+ACN+H"	42.033826
"1196172"	200.076201	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+ACN+2H"	43.041102
"199258"	759.19376	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2Na-H"	44.97116
"636632"	1116.30506	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2Na-H"	44.97116
"1135032"	402.08246	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2Na-H"	44.97116
"179782"	380.100518	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2Na"	45.978436
"619706"	558.656168	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2Na"	45.978436
"1120295"	201.544868	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2Na"	45.978436
"1403089"	134.699004	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+2Na"	46.985712
"1434841"	404.124046	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+HCOOH"	47.012746
"230737"	385.13354	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+3H2O+2H"	56.04448
"1519892"	418.17609	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+IsoProp+H"	61.06479
"416298"	388.087488	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Na+K"	61.952376
"778385"	566.643138	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+Na+K"	61.952376
"1671434"	209.531838	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na+K"	61.952376
"253217"	778.238368	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+ACN+Na"	64.015768
"1230669"	421.127068	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+ACN+Na"	64.015768
"1717369"	421.150593	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+NH4+HCOOH"	64.039293
"1180535"	142.026318	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+3Na"	68.967654
"1654073"	426.105988	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na+HCOOH"	68.994688
"168232"	791.14164	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2K-H"	76.91904
"606699"	1148.25294	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2K-H"	76.91904
"1093397"	434.03034	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2K-H"	76.91904
"152402"	396.074458	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2K"	77.926316
"593056"	574.630108	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2K"	77.926316
"1077568"	217.518808	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2K"	77.926316
"1105311"	436.044892	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2K+H"	78.933592
"1343882"	436.132507	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+DMSO+H"	79.021207
"1015693"	440.171676	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2ACN+H"	83.060376
"1533818"	441.165308	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+IsoProp+Na+H"	84.054008
"1003546"	220.589476	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2ACN+2H"	84.067652
"1591489"	442.079928	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K+HCOOH"	84.968628
"1423710"	472.111438	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+CF3COOH"	115.000138
"1161656"	241.102751	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+3ACN+2H"	125.094202
"1712684"	489.137985	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+NH4+CF3COOH"	132.026685
"1647947"	494.09338	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na+CF3COOH"	136.98208
"1582507"	510.06732	"C21132"	"Deoxyviolaceinic acid;Deoxyviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K+CF3COOH"	152.95602
"801936"	327.1008	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M"	0
"980937"	308.08241	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-H2O-H"	-19.01839
"64076"	217.059924	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M-3H"	-3.021828
"504728"	326.093524	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M-3H"	-3.021828
"882163"	108.026324	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-3H"	-3.021828
"1102"	326.093524	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M-2H"	-2.014552
"441512"	489.643924	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M-2H"	-2.014552
"817246"	162.543124	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-2H"	-2.014552
"78650"	653.194324	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M-H"	-1.007276
"518993"	980.295124	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M-H"	-1.007276
"902029"	326.093524	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-H"	-1.007276
"50934"	670.220871	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M-2H+NH4"	16.019271
"500344"	997.321671	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M-2H+NH4"	16.019271
"878512"	343.120071	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-2H+NH4"	16.019271
"40579"	675.176266	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M-2H+Na"	20.974666
"483419"	1002.277066	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M-2H+Na"	20.974666
"861588"	348.075466	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-2H+Na"	20.974666
"1630756"	348.075466	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Na-2H"	20.974666
"107650"	344.081863	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M-H+Cl"	33.962126
"545388"	507.632263	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M-H+Cl"	33.962126
"939994"	180.531463	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-H+Cl"	33.962126
"281710"	689.171002	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+Cl"	34.969402
"673522"	1016.271802	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+Cl"	34.969402
"1285924"	362.070202	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Cl"	34.969402
"25200"	691.150206	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M-2H+K"	36.948606
"469866"	1018.251006	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M-2H+K"	36.948606
"844751"	364.049406	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-2H+K"	36.948606
"1562770"	364.049406	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+K-2H"	36.948606
"956126"	372.098994	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-H+HCOOH"	44.998194
"374340"	699.199801	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+HCOOH-H"	44.998201
"358223"	713.215451	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+Hac-H"	59.013851
"1493937"	386.114651	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Hac-H"	59.013851
"958796"	394.080951	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-H+NaCOOH"	66.980151
"122790"	362.070202	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+2Cl"	69.938804
"558703"	525.620602	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+2Cl"	69.938804
"1030782"	198.519802	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2Cl"	69.938804
"1245987"	406.019685	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Br"	78.918885
"1311716"	408.075672	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Cl+HCOOH"	80.974872
"1324837"	430.057629	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Cl+NaCOOH"	102.956829
"911640"	440.086386	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M-H+CF3COOH"	112.985586
"1288873"	476.063064	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Cl+CF3COOH"	148.962264
"1368580"	292.088124	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H-2H2O"	-35.012676
"1382759"	310.0981	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H-H2O"	-17.0027
"283696"	655.208876	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+H"	1.007276
"681465"	982.309676	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+H"	1.007276
"1355626"	328.108076	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H"	1.007276
"137263"	328.108076	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+2H"	2.014552
"571355"	491.658476	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+2H"	2.014552
"1047813"	164.557676	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2H"	2.014552
"208058"	219.074476	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+3H"	3.021828
"649805"	328.108076	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+3H"	3.021828
"1169024"	110.040876	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+3H"	3.021828
"429015"	672.235423	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+NH4"	18.033823
"793290"	999.336223	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+NH4"	18.033823
"1685247"	345.134623	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+NH4"	18.033823
"333529"	336.6213495	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+H+NH4"	19.041099
"724125"	500.1717495	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+H+NH4"	19.041099
"1479771"	173.0709495	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H+NH4"	19.041099
"393351"	677.190818	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+Na"	22.989218
"754473"	1004.291618	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+Na"	22.989218
"1603653"	350.090018	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Na"	22.989218
"315511"	339.099047	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+H+Na"	23.996494
"707285"	502.649447	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+H+Na"	23.996494
"1461875"	175.548647	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H+Na"	23.996494
"1053013"	117.36819	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2H+Na"	25.00377
"1257059"	360.134286	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+CH3OH+H"	33.033486
"377131"	693.164758	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+K"	38.963158
"739049"	1020.265558	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+K"	38.963158
"1540050"	366.063958	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+K"	38.963158
"299495"	347.086017	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+H+K"	39.970434
"700914"	510.636417	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+H+K"	39.970434
"1454736"	183.535617	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H+K"	39.970434
"246619"	696.235426	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+ACN+H"	42.033826
"1214953"	369.134626	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+ACN+H"	42.033826
"1195919"	185.070951	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+ACN+2H"	43.041102
"196086"	699.17276	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+2Na-H"	44.97116
"636742"	1026.27356	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+2Na-H"	44.97116
"1134048"	372.07196	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2Na-H"	44.97116
"179164"	350.090018	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+2Na"	45.978436
"620181"	513.640418	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+2Na"	45.978436
"1120770"	186.539618	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2Na"	45.978436
"1403928"	124.695504	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H+2Na"	46.985712
"1433858"	374.113546	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H+HCOOH"	47.012746
"225380"	355.12304	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+3H2O+2H"	56.04448
"1514535"	388.16559	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+IsoProp+H"	61.06479
"412397"	358.076988	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+Na+K"	61.952376
"771571"	521.627388	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+Na+K"	61.952376
"1667901"	194.526588	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Na+K"	61.952376
"252963"	718.217368	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+ACN+Na"	64.015768
"1231873"	391.116568	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+ACN+Na"	64.015768
"1717479"	391.140093	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+NH4+HCOOH"	64.039293
"1180645"	132.022818	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+3Na"	68.967654
"1653819"	396.095488	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Na+HCOOH"	68.994688
"170529"	731.12064	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+2K-H"	76.91904
"606809"	1058.22144	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+2K-H"	76.91904
"1095696"	404.01984	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2K-H"	76.91904
"150326"	366.063958	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"2M+2K"	77.926316
"595840"	529.614358	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"3M+2K"	77.926316
"1079865"	202.513558	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2K"	77.926316
"1105421"	406.034392	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2K+H"	78.933592
"1343992"	406.122007	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+DMSO+H"	79.021207
"1014710"	410.161176	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2ACN+H"	83.060376
"1533928"	411.154808	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+IsoProp+Na+H"	84.054008
"1003656"	205.584226	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+2ACN+2H"	84.067652
"1591599"	412.069428	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+K+HCOOH"	84.968628
"1423820"	442.100938	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+H+CF3COOH"	115.000138
"1161765"	226.097501	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+3ACN+2H"	125.094202
"1711315"	459.127485	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+NH4+CF3COOH"	132.026685
"1646964"	464.08288	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+Na+CF3COOH"	136.98208
"1582617"	480.05682	"C21133"	"Deoxyviolacein"	"C20H13N3O2"	"327.1008"	"M+K+CF3COOH"	152.95602
"802531"	357.1113	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M"	0
"981047"	338.09291	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H2O-H"	-19.01839
"66372"	237.066924	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-3H"	-3.021828
"503744"	356.104024	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-3H"	-3.021828
"882274"	118.029824	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-3H"	-3.021828
"3033"	356.104024	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H"	-2.014552
"441865"	534.659674	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H"	-2.014552
"817966"	177.548374	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H"	-2.014552
"78925"	713.215324	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-H"	-1.007276
"518738"	1070.326624	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-H"	-1.007276
"901043"	356.104024	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H"	-1.007276
"50312"	730.241871	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H+NH4"	16.019271
"497169"	1087.353171	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H+NH4"	16.019271
"877648"	373.130571	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H+NH4"	16.019271
"43970"	735.197266	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H+Na"	20.974666
"482434"	1092.308566	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H+Na"	20.974666
"861696"	378.085966	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H+Na"	20.974666
"1632568"	378.085966	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na-2H"	20.974666
"105209"	374.092363	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-H+Cl"	33.962126
"546589"	552.648013	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-H+Cl"	33.962126
"941076"	195.536713	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+Cl"	33.962126
"280968"	749.192002	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Cl"	34.969402
"672539"	1106.303302	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+Cl"	34.969402
"1283848"	392.080702	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl"	34.969402
"22030"	751.171206	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M-2H+K"	36.948606
"464871"	1108.282506	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M-2H+K"	36.948606
"842674"	394.059906	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-2H+K"	36.948606
"1561787"	394.059906	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K-2H"	36.948606
"951859"	402.109494	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+HCOOH"	44.998194
"366794"	759.220801	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+HCOOH-H"	44.998201
"352865"	773.236451	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Hac-H"	59.013851
"1494411"	416.125151	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Hac-H"	59.013851
"959155"	424.091451	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+NaCOOH"	66.980151
"110613"	392.080702	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2Cl"	69.938804
"561367"	570.636352	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2Cl"	69.938804
"1034540"	213.525052	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2Cl"	69.938804
"1246098"	436.030185	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Br"	78.918885
"1315838"	438.086172	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl+HCOOH"	80.974872
"1328230"	460.068129	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl+NaCOOH"	102.956829
"917101"	470.096886	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M-H+CF3COOH"	112.985586
"1291622"	506.073564	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Cl+CF3COOH"	148.962264
"1367832"	322.098624	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H-2H2O"	-35.012676
"1383264"	340.1086	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H-H2O"	-17.0027
"283356"	715.229876	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H"	1.007276
"679389"	1072.341176	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H"	1.007276
"1353550"	358.118576	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H"	1.007276
"128625"	358.118576	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2H"	2.014552
"572559"	536.674226	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2H"	2.014552
"1049014"	179.562926	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2H"	2.014552
"209263"	239.081476	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+3H"	3.021828
"648825"	358.118576	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+3H"	3.021828
"1168043"	120.044376	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+3H"	3.021828
"429128"	732.256423	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+NH4"	18.033823
"792307"	1089.367723	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+NH4"	18.033823
"1687546"	375.145123	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+NH4"	18.033823
"333637"	366.6318495	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H+NH4"	19.041099
"727152"	545.1874995	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H+NH4"	19.041099
"1478062"	188.0761995	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+NH4"	19.041099
"393460"	737.211818	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Na"	22.989218
"754573"	1094.323118	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+Na"	22.989218
"1603763"	380.100518	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na"	22.989218
"316228"	369.109547	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H+Na"	23.996494
"707930"	547.665197	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H+Na"	23.996494
"1463571"	190.553897	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+Na"	23.996494
"1053166"	127.37169	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2H+Na"	25.00377
"1257763"	390.144786	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+CH3OH+H"	33.033486
"378163"	753.185758	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+K"	38.963158
"738750"	1110.297058	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+K"	38.963158
"1540112"	396.074458	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K"	38.963158
"298988"	377.096517	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+H+K"	39.970434
"691537"	555.652167	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+H+K"	39.970434
"1446452"	198.540867	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+K"	39.970434
"245636"	756.256426	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+ACN+H"	42.033826
"1216156"	399.145126	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+ACN+H"	42.033826
"1197852"	200.076201	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+ACN+2H"	43.041102
"196196"	759.19376	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2Na-H"	44.97116
"634665"	1116.30506	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2Na-H"	44.97116
"1142546"	402.08246	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2Na-H"	44.97116
"181461"	380.100518	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2Na"	45.978436
"621021"	558.656168	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2Na"	45.978436
"1121973"	201.544868	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2Na"	45.978436
"1403309"	134.699004	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+2Na"	46.985712
"1433968"	404.124046	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+HCOOH"	47.012746
"227677"	385.13354	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+3H2O+2H"	56.04448
"1513552"	418.17609	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+IsoProp+H"	61.06479
"409956"	388.087488	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+Na+K"	61.952376
"770178"	566.643138	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+Na+K"	61.952376
"1666302"	209.531838	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na+K"	61.952376
"251975"	778.238368	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+ACN+Na"	64.015768
"1229432"	421.127068	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+ACN+Na"	64.015768
"1716495"	421.150593	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+NH4+HCOOH"	64.039293
"1180391"	142.026318	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+3Na"	68.967654
"1652471"	426.105988	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na+HCOOH"	68.994688
"170640"	791.14164	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2K-H"	76.91904
"609107"	1148.25294	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2K-H"	76.91904
"1099854"	434.03034	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2K-H"	76.91904
"153717"	396.074458	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"2M+2K"	77.926316
"594372"	574.630108	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"3M+2K"	77.926316
"1082043"	217.518808	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2K"	77.926316
"1113794"	436.044892	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2K+H"	78.933592
"1348843"	436.132507	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+DMSO+H"	79.021207
"1021019"	440.171676	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2ACN+H"	83.060376
"1537318"	441.165308	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+IsoProp+Na+H"	84.054008
"1002673"	220.589476	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+2ACN+2H"	84.067652
"1592802"	442.079928	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K+HCOOH"	84.968628
"1423930"	472.111438	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+H+CF3COOH"	115.000138
"1162242"	241.102751	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+3ACN+2H"	125.094202
"1712398"	489.137985	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+NH4+CF3COOH"	132.026685
"1647074"	494.09338	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+Na+CF3COOH"	136.98208
"1582727"	510.06732	"C21134"	"Protoviolaceinic acid;Protoviolaceinate"	"C21H15N3O3"	"357.1113"	"M+K+CF3COOH"	152.95602
"804343"	373.1063	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M"	0
"981157"	354.08791	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-H2O-H"	-19.01839
"66118"	247.730257333333	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M-3H"	-3.021828
"505676"	372.099024	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M-3H"	-3.021828
"884569"	123.361490666667	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-3H"	-3.021828
"1806"	372.099024	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M-2H"	-2.014552
"442339"	558.652174	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M-2H"	-2.014552
"819777"	185.545874	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-2H"	-2.014552
"79158"	745.205324	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M-H"	-1.007276
"522252"	1118.311624	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M-H"	-1.007276
"901152"	372.099024	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-H"	-1.007276
"51151"	762.231871	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M-2H+NH4"	16.019271
"496186"	1135.338171	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M-2H+NH4"	16.019271
"876176"	389.125571	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-2H+NH4"	16.019271
"42987"	767.187266	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M-2H+Na"	20.974666
"483637"	1140.293566	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M-2H+Na"	20.974666
"861806"	394.080966	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-2H+Na"	20.974666
"1629880"	394.080966	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Na-2H"	20.974666
"106411"	390.087363	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M-H+Cl"	33.962126
"545969"	576.640513	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M-H+Cl"	33.962126
"940456"	203.534213	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-H+Cl"	33.962126
"278039"	781.182002	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+Cl"	34.969402
"670462"	1154.288302	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+Cl"	34.969402
"1282865"	408.075702	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Cl"	34.969402
"22140"	783.161206	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M-2H+K"	36.948606
"463888"	1156.267506	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M-2H+K"	36.948606
"837312"	410.054906	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-2H+K"	36.948606
"1561897"	410.054906	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+K-2H"	36.948606
"950876"	418.104494	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-H+HCOOH"	44.998194
"365811"	791.210801	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+HCOOH-H"	44.998201
"358443"	805.226451	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+Hac-H"	59.013851
"1496344"	432.120151	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Hac-H"	59.013851
"959511"	440.086451	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-H+NaCOOH"	66.980151
"110603"	408.075702	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+2Cl"	69.938804
"561112"	594.628852	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+2Cl"	69.938804
"1034650"	221.522552	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2Cl"	69.938804
"1246208"	452.025185	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Br"	78.918885
"1315948"	454.081172	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Cl+HCOOH"	80.974872
"1328340"	476.063129	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Cl+NaCOOH"	102.956829
"917211"	486.091886	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M-H+CF3COOH"	112.985586
"1292825"	522.068564	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Cl+CF3COOH"	148.962264
"1368186"	338.093624	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H-2H2O"	-35.012676
"1384101"	356.1036	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H-H2O"	-17.0027
"283425"	747.219876	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+H"	1.007276
"678406"	1120.326176	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+H"	1.007276
"1353660"	374.113576	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H"	1.007276
"128735"	374.113576	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+2H"	2.014552
"572669"	560.666726	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+2H"	2.014552
"1049124"	187.560426	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2H"	2.014552
"207187"	249.744809333333	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+3H"	3.021828
"650027"	374.113576	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+3H"	3.021828
"1169245"	125.376042666667	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+3H"	3.021828
"430331"	764.246423	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+NH4"	18.033823
"792417"	1137.352723	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+NH4"	18.033823
"1687657"	391.140123	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+NH4"	18.033823
"333383"	382.6268495	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+H+NH4"	19.041099
"729446"	569.1799995	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+H+NH4"	19.041099
"1481085"	196.0736995	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H+NH4"	19.041099
"394662"	769.201818	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+Na"	22.989218
"756387"	1142.308118	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+Na"	22.989218
"1605577"	396.095518	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Na"	22.989218
"316707"	385.104547	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+H+Na"	23.996494
"707549"	571.657697	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+H+Na"	23.996494
"1462467"	198.551397	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H+Na"	23.996494
"1056197"	132.703356666667	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2H+Na"	25.00377
"1257509"	406.139786	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+CH3OH+H"	33.033486
"379731"	785.175758	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+K"	38.963158
"739145"	1158.282058	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+K"	38.963158
"1540225"	412.069458	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+K"	38.963158
"298738"	393.091517	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+H+K"	39.970434
"693110"	579.644667	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+H+K"	39.970434
"1447537"	206.538367	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H+K"	39.970434
"243560"	788.246426	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+ACN+H"	42.033826
"1216266"	415.140126	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+ACN+H"	42.033826
"1197233"	208.073701	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+ACN+2H"	43.041102
"194118"	791.18376	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+2Na-H"	44.97116
"633314"	1164.29006	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+2Na-H"	44.97116
"1134266"	418.07746	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2Na-H"	44.97116
"182664"	396.095518	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+2Na"	45.978436
"619672"	582.648668	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+2Na"	45.978436
"1121354"	209.542368	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2Na"	45.978436
"1400136"	140.030670666667	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H+2Na"	46.985712
"1433713"	420.119046	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H+HCOOH"	47.012746
"222318"	401.12854	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+3H2O+2H"	56.04448
"1515848"	434.17109	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+IsoProp+H"	61.06479
"416628"	404.082488	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+Na+K"	61.952376
"771547"	590.635638	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+Na+K"	61.952376
"1666293"	217.529338	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Na+K"	61.952376
"252816"	810.228368	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+ACN+Na"	64.015768
"1229176"	437.122068	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+ACN+Na"	64.015768
"1713195"	437.145593	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+NH4+HCOOH"	64.039293
"1181230"	147.357984666667	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+3Na"	68.967654
"1650265"	442.100988	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Na+HCOOH"	68.994688
"165282"	823.13164	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+2K-H"	76.91904
"609217"	1196.23794	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+2K-H"	76.91904
"1098714"	450.02534	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2K-H"	76.91904
"153827"	412.069458	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"2M+2K"	77.926316
"593388"	598.622608	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"3M+2K"	77.926316
"1082032"	225.516308	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2K"	77.926316
"1110015"	452.039892	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2K+H"	78.933592
"1346400"	452.127507	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+DMSO+H"	79.021207
"1020765"	456.166676	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2ACN+H"	83.060376
"1533055"	457.160308	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+IsoProp+Na+H"	84.054008
"997316"	228.586976	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+2ACN+2H"	84.067652
"1589996"	458.074928	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+K+HCOOH"	84.968628
"1424040"	488.106438	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+H+CF3COOH"	115.000138
"1160893"	249.100251	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+3ACN+2H"	125.094202
"1712469"	505.132985	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+NH4+CF3COOH"	132.026685
"1644997"	510.08838	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+Na+CF3COOH"	136.98208
"1582837"	526.06232	"C21135"	"Violaceinic acid;Violaceinate"	"C21H15N3O4"	"373.1063"	"M+K+CF3COOH"	152.95602
"802629"	343.0957	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M"	0
"981267"	324.07731	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-H2O-H"	-19.01839
"65499"	227.723190666667	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M-3H"	-3.021828
"504693"	342.088424	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M-3H"	-3.021828
"882493"	113.357957333333	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-3H"	-3.021828
"1431"	342.088424	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M-2H"	-2.014552
"442814"	513.636274	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M-2H"	-2.014552
"818794"	170.540574	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-2H"	-2.014552
"78816"	685.184124	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M-H"	-1.007276
"520539"	1028.279824	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M-H"	-1.007276
"903449"	342.088424	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-H"	-1.007276
"51261"	702.210671	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M-2H+NH4"	16.019271
"497389"	1045.306371	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M-2H+NH4"	16.019271
"878965"	359.114971	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-2H+NH4"	16.019271
"46015"	707.166066	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M-2H+Na"	20.974666
"483747"	1050.261766	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M-2H+Na"	20.974666
"861187"	364.070366	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-2H+Na"	20.974666
"1628896"	364.070366	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Na-2H"	20.974666
"106156"	360.076763	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M-H+Cl"	33.962126
"544987"	531.624613	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M-H+Cl"	33.962126
"941416"	188.528913	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-H+Cl"	33.962126
"279243"	721.160802	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+Cl"	34.969402
"670572"	1064.256502	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+Cl"	34.969402
"1281881"	378.065102	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Cl"	34.969402
"23343"	723.140006	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M-2H+K"	36.948606
"461809"	1066.235706	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M-2H+K"	36.948606
"837422"	380.044306	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-2H+K"	36.948606
"1562007"	380.044306	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+K-2H"	36.948606
"944423"	388.093894	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-H+HCOOH"	44.998194
"363734"	731.189601	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+HCOOH-H"	44.998201
"348711"	745.205251	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+Hac-H"	59.013851
"1494389"	402.109551	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Hac-H"	59.013851
"959621"	410.075851	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-H+NaCOOH"	66.980151
"111318"	378.065102	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+2Cl"	69.938804
"563409"	549.612952	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+2Cl"	69.938804
"1035124"	206.517252	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2Cl"	69.938804
"1249598"	422.014585	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Br"	78.918885
"1318244"	424.070572	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Cl+HCOOH"	80.974872
"1330637"	446.052529	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Cl+NaCOOH"	102.956829
"919507"	456.081286	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M-H+CF3COOH"	112.985586
"1296215"	492.057964	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Cl+CF3COOH"	148.962264
"1367813"	308.083024	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H-2H2O"	-35.012676
"1383363"	326.093	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H-H2O"	-17.0027
"283251"	687.198676	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+H"	1.007276
"679609"	1030.294376	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+H"	1.007276
"1353768"	344.102976	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H"	1.007276
"131032"	344.102976	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+2H"	2.014552
"573872"	515.650826	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+2H"	2.014552
"1049235"	172.555126	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2H"	2.014552
"207298"	229.737742666667	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+3H"	3.021828
"649408"	344.102976	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+3H"	3.021828
"1171542"	115.372509333333	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+3H"	3.021828
"429348"	704.225223	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+NH4"	18.033823
"793621"	1047.320923	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+NH4"	18.033823
"1691048"	361.129523	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+NH4"	18.033823
"338236"	352.6162495	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+H+NH4"	19.041099
"728470"	524.1640995	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+H+NH4"	19.041099
"1479375"	181.0683995	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H+NH4"	19.041099
"394044"	709.180618	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+Na"	22.989218
"756497"	1052.276318	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+Na"	22.989218
"1605688"	366.084918	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Na"	22.989218
"317910"	355.093947	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+H+Na"	23.996494
"707782"	526.641797	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+H+Na"	23.996494
"1463183"	183.546097	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H+Na"	23.996494
"1056307"	122.699823333333	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2H+Na"	25.00377
"1260171"	376.129186	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+CH3OH+H"	33.033486
"378016"	725.154558	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+K"	38.963158
"739862"	1068.250258	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+K"	38.963158
"1540823"	382.058858	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+K"	38.963158
"298847"	363.080917	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+H+K"	39.970434
"691882"	534.628767	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+H+K"	39.970434
"1446308"	191.533067	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H+K"	39.970434
"246949"	728.225226	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+ACN+H"	42.033826
"1218563"	385.129526	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+ACN+H"	42.033826
"1199530"	193.068401	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+ACN+2H"	43.041102
"197509"	731.16256	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+2Na-H"	44.97116
"634516"	1074.25826	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+2Na-H"	44.97116
"1134009"	388.06686	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2Na-H"	44.97116
"176567"	366.084918	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+2Na"	45.978436
"622334"	537.632768	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+2Na"	45.978436
"1120371"	194.537068	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2Na"	45.978436
"1403893"	130.027137333333	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H+2Na"	46.985712
"1434552"	390.108446	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H+HCOOH"	47.012746
"228989"	371.11794	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+3H2O+2H"	56.04448
"1518145"	404.16049	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+IsoProp+H"	61.06479
"413458"	374.071888	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+Na+K"	61.952376
"774817"	545.619738	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+Na+K"	61.952376
"1668226"	202.524038	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Na+K"	61.952376
"254748"	750.207168	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+ACN+Na"	64.015768
"1230744"	407.111468	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+ACN+Na"	64.015768
"1713306"	407.134993	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+NH4+HCOOH"	64.039293
"1183164"	137.354451333333	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+3Na"	68.967654
"1651347"	412.090388	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Na+HCOOH"	68.994688
"165392"	763.11044	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+2K-H"	76.91904
"610422"	1106.20614	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+2K-H"	76.91904
"1099394"	420.01474	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2K-H"	76.91904
"156496"	382.058858	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"2M+2K"	77.926316
"596952"	553.606708	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"3M+2K"	77.926316
"1083362"	210.511008	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2K"	77.926316
"1110125"	422.029292	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2K+H"	78.933592
"1346510"	422.116907	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+DMSO+H"	79.021207
"1020024"	426.156076	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2ACN+H"	83.060376
"1533165"	427.149708	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+IsoProp+Na+H"	84.054008
"997426"	213.581676	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+2ACN+2H"	84.067652
"1589742"	428.064328	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+K+HCOOH"	84.968628
"1424150"	458.095838	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+H+CF3COOH"	115.000138
"1162582"	234.094951	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+3ACN+2H"	125.094202
"1710918"	475.122385	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+NH4+CF3COOH"	132.026685
"1645107"	480.07778	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+Na+CF3COOH"	136.98208
"1582947"	496.05172	"C21136"	"Violacein"	"C20H13N3O3"	"343.0957"	"M+K+CF3COOH"	152.95602
"801564"	529.0863	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M"	0
"980284"	510.06791	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-H2O-H"	-19.01839
"65245"	351.716924	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M-3H"	-3.021828
"504803"	528.079024	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M-3H"	-3.021828
"885883"	175.354824	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-3H"	-3.021828
"3364"	528.079024	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M-2H"	-2.014552
"444018"	792.622174	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M-2H"	-2.014552
"818538"	263.535874	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-2H"	-2.014552
"79624"	1057.165324	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M-H"	-1.007276
"520649"	1586.251624	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M-H"	-1.007276
"901373"	528.079024	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-H"	-1.007276
"52464"	1074.191871	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+NH4"	16.019271
"497499"	1603.278171	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+NH4"	16.019271
"869833"	545.105571	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-2H+NH4"	16.019271
"45027"	1079.147266	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+Na"	20.974666
"484951"	1608.233566	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+Na"	20.974666
"861297"	550.060966	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-2H+Na"	20.974666
"1630101"	550.060966	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Na-2H"	20.974666
"107359"	546.067363	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M-H+Cl"	33.962126
"547283"	810.610513	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M-H+Cl"	33.962126
"941162"	281.524213	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-H+Cl"	33.962126
"277167"	1093.142002	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+Cl"	34.969402
"670682"	1622.228302	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+Cl"	34.969402
"1281991"	564.055702	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Cl"	34.969402
"23453"	1095.121206	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M-2H+K"	36.948606
"459002"	1624.207506	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M-2H+K"	36.948606
"839719"	566.034906	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-2H+K"	36.948606
"1557375"	566.034906	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+K-2H"	36.948606
"945626"	574.084494	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-H+HCOOH"	44.998194
"364937"	1103.170801	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+HCOOH-H"	44.998201
"348821"	1117.186451	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+Hac-H"	59.013851
"1495472"	588.100151	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Hac-H"	59.013851
"965200"	596.066451	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-H+NaCOOH"	66.980151
"113013"	564.055702	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+2Cl"	69.938804
"551477"	828.598852	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+2Cl"	69.938804
"1035843"	299.512552	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2Cl"	69.938804
"1248615"	608.005185	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Br"	78.918885
"1315438"	610.061172	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+HCOOH"	80.974872
"1332571"	632.043129	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+NaCOOH"	102.956829
"922898"	642.071886	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M-H+CF3COOH"	112.985586
"1300699"	678.048564	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Cl+CF3COOH"	148.962264
"1367560"	494.073624	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H-2H2O"	-35.012676
"1383236"	512.0836	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H-H2O"	-17.0027
"284015"	1059.179876	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+H"	1.007276
"682999"	1588.266176	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+H"	1.007276
"1354973"	530.093576	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H"	1.007276
"132235"	530.093576	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+2H"	2.014552
"575076"	794.636726	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+2H"	2.014552
"1049344"	265.550426	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2H"	2.014552
"210689"	353.731476	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+3H"	3.021828
"651342"	530.093576	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+3H"	3.021828
"1173839"	177.369376	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+3H"	3.021828
"430553"	1076.206423	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+NH4"	18.033823
"795920"	1605.292723	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+NH4"	18.033823
"1687878"	547.120123	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+NH4"	18.033823
"332147"	538.6068495	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+H+NH4"	19.041099
"729674"	803.1499995	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+H+NH4"	19.041099
"1479485"	274.0636995	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H+NH4"	19.041099
"395614"	1081.161818	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+Na"	22.989218
"755514"	1610.248118	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+Na"	22.989218
"1605801"	552.075518	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Na"	22.989218
"315835"	541.084547	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+H+Na"	23.996494
"708376"	805.627697	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+H+Na"	23.996494
"1462440"	276.541397	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H+Na"	23.996494
"1056416"	184.69669	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2H+Na"	25.00377
"1260281"	562.119786	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+CH3OH+H"	33.033486
"377640"	1097.135758	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+K"	38.963158
"740221"	1626.222058	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+K"	38.963158
"1544098"	568.049458	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+K"	38.963158
"299813"	549.071517	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+H+K"	39.970434
"692963"	813.614667	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+H+K"	39.970434
"1446783"	284.528367	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H+K"	39.970434
"243779"	1100.206426	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+ACN+H"	42.033826
"1216487"	571.120126	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+H"	42.033826
"1198181"	286.063701	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+2H"	43.041102
"192147"	1103.14376	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+2Na-H"	44.97116
"633895"	1632.23006	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+2Na-H"	44.97116
"1133392"	574.05746	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2Na-H"	44.97116
"176070"	552.075518	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+2Na"	45.978436
"621351"	816.618668	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+2Na"	45.978436
"1120846"	287.532368	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2Na"	45.978436
"1401085"	192.024004	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H+2Na"	46.985712
"1433935"	576.099046	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H+HCOOH"	47.012746
"230193"	557.10854	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+3H2O+2H"	56.04448
"1519349"	590.15109	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+IsoProp+H"	61.06479
"416849"	560.062488	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+Na+K"	61.952376
"775657"	824.605638	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+Na+K"	61.952376
"1668339"	295.519338	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Na+K"	61.952376
"253400"	1122.188368	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+ACN+Na"	64.015768
"1227938"	593.102068	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+ACN+Na"	64.015768
"1717919"	593.125593	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+NH4+HCOOH"	64.039293
"1183274"	199.351318	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+3Na"	68.967654
"1651338"	598.080988	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Na+HCOOH"	68.994688
"169513"	1135.09164	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+2K-H"	76.91904
"612760"	1664.17794	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+2K-H"	76.91904
"1099812"	606.00534	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2K-H"	76.91904
"157043"	568.049458	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"2M+2K"	77.926316
"594702"	832.592608	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"3M+2K"	77.926316
"1084063"	303.506308	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2K"	77.926316
"1115423"	608.019892	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2K+H"	78.933592
"1348807"	608.107507	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+DMSO+H"	79.021207
"1016243"	612.146676	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2ACN+H"	83.060376
"1533275"	613.140308	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+IsoProp+Na+H"	84.054008
"1001911"	306.576976	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+2ACN+2H"	84.067652
"1594227"	614.054928	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+K+HCOOH"	84.968628
"1427907"	644.086438	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+H+CF3COOH"	115.000138
"1160748"	327.090251	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+3ACN+2H"	125.094202
"1710664"	661.112985	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+NH4+CF3COOH"	132.026685
"1645217"	666.06838	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+Na+CF3COOH"	136.98208
"1583057"	682.04232	"C21137"	"dTDP-3-amino-4-oxo-236-trideoxy-L-allose;dTDP-3-amino-4-keto-236-trideoxy-L-allose"	"C16H25N3O13P2"	"529.0863"	"M+K+CF3COOH"	152.95602
"801673"	126.1045	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M"	0
"977113"	107.08611	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-H2O-H"	-19.01839
"64259"	83.0623906666667	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M-3H"	-3.021828
"504183"	125.097224	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M-3H"	-3.021828
"885994"	41.0275573333333	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-3H"	-3.021828
"271"	125.097224	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M-2H"	-2.014552
"443036"	188.149474	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M-2H"	-2.014552
"817308"	62.044974	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-2H"	-2.014552
"79614"	251.201724	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M-H"	-1.007276
"520759"	377.306224	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M-H"	-1.007276
"900387"	125.097224	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-H"	-1.007276
"52574"	268.228271	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M-2H+NH4"	16.019271
"491407"	394.332771	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M-2H+NH4"	16.019271
"867388"	142.123771	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-2H+NH4"	16.019271
"44405"	273.183666	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M-2H+Na"	20.974666
"480683"	399.288166	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M-2H+Na"	20.974666
"859948"	147.079166	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-2H+Na"	20.974666
"1629483"	147.079166	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Na-2H"	20.974666
"106012"	143.085563	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M-H+Cl"	33.962126
"545206"	206.137813	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M-H+Cl"	33.962126
"939814"	80.033313	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-H+Cl"	33.962126
"277277"	287.178402	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+Cl"	34.969402
"669699"	413.282902	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+Cl"	34.969402
"1282102"	161.073902	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Cl"	34.969402
"22469"	289.157606	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M-2H+K"	36.948606
"456561"	415.262106	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M-2H+K"	36.948606
"836549"	163.053106	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-2H+K"	36.948606
"1557850"	163.053106	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+K-2H"	36.948606
"947923"	171.102694	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-H+HCOOH"	44.998194
"369421"	297.207201	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+HCOOH-H"	44.998201
"353304"	311.222851	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+Hac-H"	59.013851
"1498857"	185.118351	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Hac-H"	59.013851
"960931"	193.084651	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-H+NaCOOH"	66.980151
"116400"	161.073902	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+2Cl"	69.938804
"550168"	224.126152	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+2Cl"	69.938804
"1026952"	98.021652	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2Cl"	69.938804
"1248721"	205.023385	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Br"	78.918885
"1313358"	207.079372	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Cl+HCOOH"	80.974872
"1331950"	229.061329	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Cl+NaCOOH"	102.956829
"919728"	239.090086	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M-H+CF3COOH"	112.985586
"1300809"	275.066764	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Cl+CF3COOH"	148.962264
"1367346"	91.091824	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H-2H2O"	-35.012676
"1386626"	109.1018	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H-H2O"	-17.0027
"287405"	253.216276	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+H"	1.007276
"683109"	379.320776	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+H"	1.007276
"1356176"	127.111776	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H"	1.007276
"133439"	127.111776	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+2H"	2.014552
"574093"	190.164026	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+2H"	2.014552
"1049454"	64.059526	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2H"	2.014552
"214079"	85.0769426666667	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+3H"	3.021828
"651452"	127.111776	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+3H"	3.021828
"1175773"	43.0421093333333	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+3H"	3.021828
"429570"	270.242823	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+NH4"	18.033823
"794937"	396.347323	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+NH4"	18.033823
"1687988"	144.138323	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+NH4"	18.033823
"333352"	135.6250495	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+H+NH4"	19.041099
"725775"	198.6772995	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+H+NH4"	19.041099
"1480325"	72.5727995	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H+NH4"	19.041099
"393901"	275.198218	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+Na"	22.989218
"755624"	401.302718	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+Na"	22.989218
"1602948"	149.093718	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Na"	22.989218
"314975"	138.102747	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+H+Na"	23.996494
"707135"	201.154997	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+H+Na"	23.996494
"1462911"	75.050497	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H+Na"	23.996494
"1053609"	50.3694233333333	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2H+Na"	25.00377
"1257475"	159.137986	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+CH3OH+H"	33.033486
"377198"	291.172158	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+K"	38.963158
"738666"	417.276658	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+K"	38.963158
"1544208"	165.067658	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+K"	38.963158
"299198"	146.089717	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+H+K"	39.970434
"692345"	209.141967	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+H+K"	39.970434
"1445634"	83.037467	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H+K"	39.970434
"238421"	294.242826	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+ACN+H"	42.033826
"1212222"	168.138326	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+ACN+H"	42.033826
"1200479"	84.572801	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+ACN+2H"	43.041102
"193350"	297.18016	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+2Na-H"	44.97116
"632911"	423.28466	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+2Na-H"	44.97116
"1134231"	171.07566	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2Na-H"	44.97116
"175209"	149.093718	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+2Na"	45.978436
"615620"	212.145968	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+2Na"	45.978436
"1118037"	86.041468	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2Na"	45.978436
"1400947"	57.6967373333333	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H+2Na"	46.985712
"1433680"	173.117246	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H+HCOOH"	47.012746
"224832"	154.12674	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+3H2O+2H"	56.04448
"1512169"	187.16929	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+IsoProp+H"	61.06479
"412584"	157.080688	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+Na+K"	61.952376
"776128"	220.132938	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+Na+K"	61.952376
"1670272"	94.028438	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Na+K"	61.952376
"252781"	316.224768	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+ACN+Na"	64.015768
"1228047"	190.120268	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+ACN+Na"	64.015768
"1717300"	190.143793	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+NH4+HCOOH"	64.039293
"1183748"	65.0240513333333	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+3Na"	68.967654
"1650720"	195.099188	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Na+HCOOH"	68.994688
"171445"	329.12804	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+2K-H"	76.91904
"612475"	455.23254	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+2K-H"	76.91904
"1099696"	203.02354	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2K-H"	76.91904
"156835"	165.067658	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"2M+2K"	77.926316
"596393"	228.119908	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"3M+2K"	77.926316
"1084032"	102.015408	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2K"	77.926316
"1115329"	205.038092	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2K+H"	78.933592
"1348917"	205.125707	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+DMSO+H"	79.021207
"1018540"	209.164876	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2ACN+H"	83.060376
"1533385"	210.158508	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+IsoProp+Na+H"	84.054008
"1003114"	105.086076	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+2ACN+2H"	84.067652
"1596523"	211.073128	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+K+HCOOH"	84.968628
"1428746"	241.104638	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+H+CF3COOH"	115.000138
"1161587"	125.599351	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+3ACN+2H"	125.094202
"1711137"	258.131185	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+NH4+CF3COOH"	132.026685
"1642047"	263.08658	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+Na+CF3COOH"	136.98208
"1583167"	279.06052	"C21138"	"trans-2-Octenal;(E)-Oct-2-enal"	"C8H14O"	"126.1045"	"M+K+CF3COOH"	152.95602
"810251"	170.1307	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M"	0
"987065"	151.11231	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-H2O-H"	-19.01839
"69840"	112.413190666667	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M-3H"	-3.021828
"507212"	169.123424	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M-3H"	-3.021828
"886106"	55.7029573333333	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-3H"	-3.021828
"2492"	169.123424	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M-2H"	-2.014552
"444240"	254.188774	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M-2H"	-2.014552
"819125"	84.058074	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-2H"	-2.014552
"85315"	339.254124	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M-H"	-1.007276
"522692"	509.384824	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M-H"	-1.007276
"902684"	169.123424	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-H"	-1.007276
"53050"	356.280671	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M-2H+NH4"	16.019271
"493704"	526.411371	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M-2H+NH4"	16.019271
"875518"	186.149971	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-2H+NH4"	16.019271
"44517"	361.236066	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M-2H+Na"	20.974666
"484805"	531.366766	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M-2H+Na"	20.974666
"860788"	191.105366	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-2H+Na"	20.974666
"1629592"	191.105366	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Na-2H"	20.974666
"107824"	187.111763	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M-H+Cl"	33.962126
"545315"	272.177113	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M-H+Cl"	33.962126
"939924"	102.046413	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-H+Cl"	33.962126
"280667"	375.230802	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+Cl"	34.969402
"673945"	545.361502	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+Cl"	34.969402
"1285492"	205.100102	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Cl"	34.969402
"26952"	377.210006	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M-2H+K"	36.948606
"459222"	547.340706	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M-2H+K"	36.948606
"836659"	207.079306	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-2H+K"	36.948606
"1558324"	207.079306	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+K-2H"	36.948606
"950220"	215.128894	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-H+HCOOH"	44.998194
"371718"	385.259601	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+HCOOH-H"	44.998201
"353416"	399.275251	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+Hac-H"	59.013851
"1503343"	229.144551	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Hac-H"	59.013851
"969790"	237.110851	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-H+NaCOOH"	66.980151
"124773"	205.100102	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+2Cl"	69.938804
"556071"	290.165452	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+2Cl"	69.938804
"1024877"	120.034752	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2Cl"	69.938804
"1251018"	249.049585	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Br"	78.918885
"1316748"	251.105572	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Cl+HCOOH"	80.974872
"1330967"	273.087529	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Cl+NaCOOH"	102.956829
"919838"	283.116286	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M-H+CF3COOH"	112.985586
"1297639"	319.092964	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Cl+CF3COOH"	148.962264
"1372519"	135.118024	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H-2H2O"	-35.012676
"1386736"	153.128	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H-H2O"	-17.0027
"287515"	341.268676	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+H"	1.007276
"684312"	511.399376	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+H"	1.007276
"1357380"	171.137976	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H"	1.007276
"130631"	171.137976	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+2H"	2.014552
"570923"	256.203326	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+2H"	2.014552
"1049564"	86.072626	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2H"	2.014552
"213825"	114.427742666667	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+3H"	3.021828
"652655"	171.137976	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+3H"	3.021828
"1176979"	57.7175093333333	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+3H"	3.021828
"432960"	358.295223	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+NH4"	18.033823
"797234"	528.425923	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+NH4"	18.033823
"1694659"	188.164523	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+NH4"	18.033823
"333463"	179.6512495	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+H+NH4"	19.041099
"725157"	264.7165995	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+H+NH4"	19.041099
"1480434"	94.5858995	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H+NH4"	19.041099
"395835"	363.250618	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+Na"	22.989218
"755735"	533.381318	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+Na"	22.989218
"1606022"	193.119918	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Na"	22.989218
"314554"	182.128947	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+H+Na"	23.996494
"711759"	267.194297	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+H+Na"	23.996494
"1462540"	97.063597	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H+Na"	23.996494
"1057728"	65.0448233333333	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2H+Na"	25.00377
"1259771"	203.164186	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+CH3OH+H"	33.033486
"379077"	379.224558	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+K"	38.963158
"739344"	549.355258	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+K"	38.963158
"1544318"	209.093858	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+K"	38.963158
"305868"	190.115917	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+H+K"	39.970434
"696102"	275.181267	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+H+K"	39.970434
"1448463"	105.050567	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H+K"	39.970434
"239624"	382.295226	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+ACN+H"	42.033826
"1212332"	212.164526	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+ACN+H"	42.033826
"1198403"	106.585901	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+ACN+2H"	43.041102
"190542"	385.23256	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+2Na-H"	44.97116
"636302"	555.36326	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+2Na-H"	44.97116
"1136529"	215.10186	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2Na-H"	44.97116
"179820"	193.119918	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+2Na"	45.978436
"616097"	278.185268	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+2Na"	45.978436
"1125076"	108.054568	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2Na"	45.978436
"1403131"	72.3721373333333	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H+2Na"	46.985712
"1433426"	217.143446	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H+HCOOH"	47.012746
"223483"	198.15294	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+3H2O+2H"	56.04448
"1516286"	231.19549	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+IsoProp+H"	61.06479
"419254"	201.106888	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+Na+K"	61.952376
"779155"	286.172238	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+Na+K"	61.952376
"1674394"	116.041538	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Na+K"	61.952376
"255809"	404.277168	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+ACN+Na"	64.015768
"1228521"	234.146468	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+ACN+Na"	64.015768
"1715222"	234.169993	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+NH4+HCOOH"	64.039293
"1183858"	79.6994513333333	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+3Na"	68.967654
"1651927"	239.125388	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Na+HCOOH"	68.994688
"166815"	417.18044	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+2K-H"	76.91904
"610389"	587.31114	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+2K-H"	76.91904
"1097087"	247.04974	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2K-H"	76.91904
"149893"	209.093858	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"2M+2K"	77.926316
"591644"	294.159208	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"3M+2K"	77.926316
"1082594"	124.028508	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2K"	77.926316
"1110455"	249.064292	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2K+H"	78.933592
"1347932"	249.151907	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+DMSO+H"	79.021207
"1018646"	253.191076	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2ACN+H"	83.060376
"1537868"	254.184708	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+IsoProp+Na+H"	84.054008
"1001035"	127.099176	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+2ACN+2H"	84.067652
"1595538"	255.099328	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+K+HCOOH"	84.968628
"1419013"	285.130838	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+H+CF3COOH"	115.000138
"1156955"	147.612451	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+3ACN+2H"	125.094202
"1710881"	302.157385	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+NH4+CF3COOH"	132.026685
"1638877"	307.11278	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+Na+CF3COOH"	136.98208
"1583277"	323.08672	"C21139"	"(S)-3-Acetyloctanal"	"C10H18O2"	"170.1307"	"M+K+CF3COOH"	152.95602
"801734"	379.2511	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M"	0
"977334"	360.23271	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-H2O-H"	-19.01839
"62946"	251.826790666667	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M-3H"	-3.021828
"507321"	378.243824	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M-3H"	-3.021828
"884029"	125.409757333333	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-3H"	-3.021828
"2603"	378.243824	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M-2H"	-2.014552
"440825"	567.869374	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M-2H"	-2.014552
"817521"	188.618274	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-2H"	-2.014552
"78978"	757.494924	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M-H"	-1.007276
"522073"	1136.746024	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M-H"	-1.007276
"901701"	378.243824	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-H"	-1.007276
"53160"	774.521471	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M-2H+NH4"	16.019271
"491627"	1153.772571	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M-2H+NH4"	16.019271
"875628"	395.270371	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-2H+NH4"	16.019271
"44626"	779.476866	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M-2H+Na"	20.974666
"485643"	1158.727966	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M-2H+Na"	20.974666
"861263"	400.225766	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-2H+Na"	20.974666
"1632982"	400.225766	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Na-2H"	20.974666
"108054"	396.232163	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M-H+Cl"	33.962126
"544332"	585.857713	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M-H+Cl"	33.962126
"941127"	206.606613	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-H+Cl"	33.962126
"280776"	793.471602	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+Cl"	34.969402
"673692"	1172.722702	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+Cl"	34.969402
"1285602"	414.220502	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Cl"	34.969402
"27062"	795.450806	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M-2H+K"	36.948606
"462248"	1174.701906	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M-2H+K"	36.948606
"834581"	416.199706	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-2H+K"	36.948606
"1557705"	416.199706	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+K-2H"	36.948606
"944863"	424.249294	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-H+HCOOH"	44.998194
"370733"	803.500401	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+HCOOH-H"	44.998201
"354620"	817.516051	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+Hac-H"	59.013851
"1505641"	438.264951	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Hac-H"	59.013851
"969536"	446.231251	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-H+NaCOOH"	66.980151
"124276"	414.220502	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+2Cl"	69.938804
"551807"	603.846052	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+2Cl"	69.938804
"1026080"	224.594952	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2Cl"	69.938804
"1252221"	458.169985	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Br"	78.918885
"1317951"	460.225972	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Cl+HCOOH"	80.974872
"1331807"	482.207929	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Cl+NaCOOH"	102.956829
"922135"	492.236686	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M-H+CF3COOH"	112.985586
"1297750"	528.213364	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Cl+CF3COOH"	148.962264
"1374816"	344.238424	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H-2H2O"	-35.012676
"1389034"	362.2484	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H-H2O"	-17.0027
"286533"	759.509476	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+H"	1.007276
"678954"	1138.760576	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+H"	1.007276
"1360771"	380.258376	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H"	1.007276
"132566"	380.258376	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+2H"	2.014552
"580874"	569.883926	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+2H"	2.014552
"1050409"	190.632826	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2H"	2.014552
"214299"	253.841342666667	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+3H"	3.021828
"654952"	380.258376	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+3H"	3.021828
"1177696"	127.424309333333	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+3H"	3.021828
"435257"	776.536023	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+NH4"	18.033823
"797343"	1155.787123	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+NH4"	18.033823
"1690397"	397.284923	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+NH4"	18.033823
"333209"	388.7716495	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+H+NH4"	19.041099
"725267"	578.3971995	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+H+NH4"	19.041099
"1479817"	199.1460995	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H+NH4"	19.041099
"395948"	781.491418	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+Na"	22.989218
"755848"	1160.742518	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+Na"	22.989218
"1603579"	402.240318	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Na"	22.989218
"315319"	391.249347	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+H+Na"	23.996494
"708101"	580.874897	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+H+Na"	23.996494
"1461599"	201.623797	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H+Na"	23.996494
"1054562"	134.751623333333	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2H+Na"	25.00377
"1262796"	412.284586	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+CH3OH+H"	33.033486
"379915"	797.465358	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+K"	38.963158
"739815"	1176.716458	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+K"	38.963158
"1547709"	418.214258	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+K"	38.963158
"304885"	399.236317	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+H+K"	39.970434
"695119"	588.861867	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+H+K"	39.970434
"1447114"	209.610767	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H+K"	39.970434
"247025"	800.536026	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+ACN+H"	42.033826
"1214629"	421.284926	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+ACN+H"	42.033826
"1197780"	211.146101	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+ACN+2H"	43.041102
"191381"	803.47336	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+2Na-H"	44.97116
"636412"	1182.72446	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+2Na-H"	44.97116
"1137732"	424.22226	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2Na-H"	44.97116
"175550"	402.240318	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+2Na"	45.978436
"615479"	591.865868	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+2Na"	45.978436
"1123000"	212.614768	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2Na"	45.978436
"1404336"	142.078937333333	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H+2Na"	46.985712
"1433172"	426.263846	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H+HCOOH"	47.012746
"223960"	407.27334	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+3H2O+2H"	56.04448
"1514210"	440.31589	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+IsoProp+H"	61.06479
"419364"	410.227288	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+Na+K"	61.952376
"775254"	599.852838	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+Na+K"	61.952376
"1677783"	220.601738	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Na+K"	61.952376
"255557"	822.517968	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+ACN+Na"	64.015768
"1227174"	443.266868	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+ACN+Na"	64.015768
"1712811"	443.290393	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+NH4+HCOOH"	64.039293
"1182511"	149.406251333333	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+3Na"	68.967654
"1650296"	448.245788	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Na+HCOOH"	68.994688
"171668"	835.42124	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+2K-H"	76.91904
"610499"	1214.67234	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+2K-H"	76.91904
"1099388"	456.17014	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2K-H"	76.91904
"155475"	418.214258	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"2M+2K"	77.926316
"595762"	607.839808	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"3M+2K"	77.926316
"1080637"	228.588708	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2K"	77.926316
"1115067"	458.184692	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2K+H"	78.933592
"1351049"	458.272307	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+DMSO+H"	79.021207
"1019854"	462.311476	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2ACN+H"	83.060376
"1535791"	463.305108	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+IsoProp+Na+H"	84.054008
"1004427"	231.659376	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+2ACN+2H"	84.067652
"1596743"	464.219728	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+K+HCOOH"	84.968628
"1427871"	494.251238	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+H+CF3COOH"	115.000138
"1155971"	252.172651	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+3ACN+2H"	125.094202
"1711479"	511.277785	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+NH4+CF3COOH"	132.026685
"1640080"	516.23318	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+Na+CF3COOH"	136.98208
"1583387"	532.20712	"C21140"	"Aurachin B"	"C25H33NO2"	"379.2511"	"M+K+CF3COOH"	152.95602
"814847"	395.246	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M"	0
"974418"	376.22761	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-H2O-H"	-19.01839
"64955"	262.490057333333	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M-3H"	-3.021828
"510711"	394.238724	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M-3H"	-3.021828
"885232"	130.741390666667	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-3H"	-3.021828
"4901"	394.238724	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M-2H"	-2.014552
"441422"	591.861724	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M-2H"	-2.014552
"817765"	196.615724	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-2H"	-2.014552
"79213"	789.484724	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M-H"	-1.007276
"521818"	1184.730724	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M-H"	-1.007276
"901816"	394.238724	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-H"	-1.007276
"54001"	806.511271	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M-2H+NH4"	16.019271
"494658"	1201.757271	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M-2H+NH4"	16.019271
"875739"	411.265271	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-2H+NH4"	16.019271
"44372"	811.466666	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M-2H+Na"	20.974666
"484293"	1206.712666	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M-2H+Na"	20.974666
"862831"	416.220666	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-2H+Na"	20.974666
"1632975"	416.220666	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Na-2H"	20.974666
"108527"	412.227063	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M-H+Cl"	33.962126
"545534"	609.850063	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M-H+Cl"	33.962126
"935770"	214.604063	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-H+Cl"	33.962126
"279793"	825.461402	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+Cl"	34.969402
"675462"	1220.707402	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+Cl"	34.969402
"1287299"	430.215402	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Cl"	34.969402
"24987"	827.440606	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M-2H+K"	36.948606
"462359"	1222.686606	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M-2H+K"	36.948606
"836880"	432.194606	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-2H+K"	36.948606
"1558544"	432.194606	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+K-2H"	36.948606
"951535"	440.244194	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-H+HCOOH"	44.998194
"370843"	835.490201	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+HCOOH-H"	44.998201
"354730"	849.505851	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+Hac-H"	59.013851
"1505751"	454.259851	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Hac-H"	59.013851
"969646"	462.226151	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-H+NaCOOH"	66.980151
"120011"	430.215402	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+2Cl"	69.938804
"553015"	627.838402	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+2Cl"	69.938804
"1030564"	232.592402	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2Cl"	69.938804
"1256353"	474.164885	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Br"	78.918885
"1319729"	476.220872	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Cl+HCOOH"	80.974872
"1334712"	498.202829	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Cl+NaCOOH"	102.956829
"924433"	508.231586	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M-H+CF3COOH"	112.985586
"1303942"	544.208264	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Cl+CF3COOH"	148.962264
"1376019"	360.233324	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H-2H2O"	-35.012676
"1396069"	378.2433	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H-H2O"	-17.0027
"295755"	791.499276	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+H"	1.007276
"683438"	1186.745276	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+H"	1.007276
"1360881"	396.253276	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H"	1.007276
"131583"	396.253276	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+2H"	2.014552
"575517"	593.876276	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+2H"	2.014552
"1051245"	198.630276	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2H"	2.014552
"217325"	264.504609333333	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+3H"	3.021828
"657978"	396.253276	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+3H"	3.021828
"1177930"	132.755942666667	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+3H"	3.021828
"437190"	808.525823	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+NH4"	18.033823
"799276"	1203.771823	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+NH4"	18.033823
"1695612"	413.279823	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+NH4"	18.033823
"333684"	404.7665495	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+H+NH4"	19.041099
"727928"	602.3895495	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+H+NH4"	19.041099
"1482842"	207.1435495	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H+NH4"	19.041099
"400430"	813.481218	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+Na"	22.989218
"759237"	1208.727218	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+Na"	22.989218
"1605150"	418.235218	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Na"	22.989218
"315673"	407.244247	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+H+Na"	23.996494
"713074"	604.867247	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+H+Na"	23.996494
"1464705"	209.621247	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H+Na"	23.996494
"1054672"	140.083256666667	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2H+Na"	25.00377
"1261815"	428.279486	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+CH3OH+H"	33.033486
"381483"	829.455158	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+K"	38.963158
"739074"	1224.701158	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+K"	38.963158
"1550006"	434.209158	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+K"	38.963158
"306088"	415.231217	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+H+K"	39.970434
"696322"	612.854217	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+H+K"	39.970434
"1448319"	217.608217	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H+K"	39.970434
"243125"	832.525826	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+ACN+H"	42.033826
"1215833"	437.279826	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+ACN+H"	42.033826
"1197163"	219.143551	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+ACN+2H"	43.041102
"190762"	835.46316	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+2Na-H"	44.97116
"631417"	1230.70916	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+2Na-H"	44.97116
"1133463"	440.21716	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2Na-H"	44.97116
"176756"	418.235218	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+2Na"	45.978436
"617776"	615.858218	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+2Na"	45.978436
"1124203"	220.612218	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2Na"	45.978436
"1402259"	147.410570666667	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H+2Na"	46.985712
"1431822"	442.258746	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H+HCOOH"	47.012746
"226256"	423.26824	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+3H2O+2H"	56.04448
"1515412"	456.31079	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+IsoProp+H"	61.06479
"419474"	426.222188	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+Na+K"	61.952376
"775000"	623.845188	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+Na+K"	61.952376
"1677893"	228.599188	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Na+K"	61.952376
"258947"	854.507768	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+ACN+Na"	64.015768
"1228007"	459.261768	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+ACN+Na"	64.015768
"1713614"	459.285293	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+NH4+HCOOH"	64.039293
"1182620"	154.737884666667	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+3Na"	68.967654
"1652512"	464.240688	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Na+HCOOH"	68.994688
"171290"	867.41104	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+2K-H"	76.91904
"611703"	1262.65704	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+2K-H"	76.91904
"1099824"	472.16504	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2K-H"	76.91904
"155949"	434.209158	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"2M+2K"	77.926316
"594048"	631.832158	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"3M+2K"	77.926316
"1080746"	236.586158	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2K"	77.926316
"1114932"	474.179592	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2K+H"	78.933592
"1350587"	474.267207	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+DMSO+H"	79.021207
"1020940"	478.306376	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2ACN+H"	83.060376
"1536995"	479.300008	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+IsoProp+Na+H"	84.054008
"1000163"	239.656826	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+2ACN+2H"	84.067652
"1597947"	480.214628	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+K+HCOOH"	84.968628
"1427982"	510.246138	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+H+CF3COOH"	115.000138
"1159363"	260.170101	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+3ACN+2H"	125.094202
"1705633"	527.272685	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+NH4+CF3COOH"	132.026685
"1638003"	532.22808	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+Na+CF3COOH"	136.98208
"1583497"	548.20202	"C21141"	"4-Hydroxy-2-methyl-3-oxo-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H33NO3"	"395.246"	"M+K+CF3COOH"	152.95602
"816780"	397.2617	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M"	0
"980835"	378.24331	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-H2O-H"	-19.01839
"64703"	263.833857333333	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M-3H"	-3.021828
"508635"	396.254424	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M-3H"	-3.021828
"884250"	131.413290666667	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-3H"	-3.021828
"3917"	396.254424	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M-2H"	-2.014552
"441653"	594.885274	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M-2H"	-2.014552
"817469"	197.623574	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-2H"	-2.014552
"78879"	793.516124	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M-H"	-1.007276
"520469"	1190.777824	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M-H"	-1.007276
"905205"	396.254424	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-H"	-1.007276
"52653"	810.542671	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M-2H+NH4"	16.019271
"498048"	1207.804371	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M-2H+NH4"	16.019271
"874756"	413.280971	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-2H+NH4"	16.019271
"43751"	815.498066	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M-2H+Na"	20.974666
"481123"	1212.759766	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M-2H+Na"	20.974666
"864001"	418.236366	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-2H+Na"	20.974666
"1633856"	418.236366	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Na-2H"	20.974666
"109001"	414.242763	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M-H+Cl"	33.962126
"546739"	612.873613	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M-H+Cl"	33.962126
"939160"	215.611913	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-H+Cl"	33.962126
"278810"	829.492802	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+Cl"	34.969402
"675599"	1226.754502	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+Cl"	34.969402
"1288419"	432.231102	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Cl"	34.969402
"26190"	831.472006	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M-2H+K"	36.948606
"462469"	1228.733706	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M-2H+K"	36.948606
"836990"	434.210306	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-2H+K"	36.948606
"1557561"	434.210306	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+K-2H"	36.948606
"953831"	442.259894	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-H+HCOOH"	44.998194
"373139"	839.521601	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+HCOOH-H"	44.998201
"355933"	853.537251	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+Hac-H"	59.013851
"1507444"	456.275551	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Hac-H"	59.013851
"973401"	464.241851	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-H+NaCOOH"	66.980151
"122310"	432.231102	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+2Cl"	69.938804
"556403"	630.861952	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+2Cl"	69.938804
"1030674"	233.600252	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2Cl"	69.938804
"1256098"	476.180585	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Br"	78.918885
"1318541"	478.236572	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Cl+HCOOH"	80.974872
"1332756"	500.218529	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Cl+NaCOOH"	102.956829
"923451"	510.247286	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M-H+CF3COOH"	112.985586
"1303935"	546.223964	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Cl+CF3COOH"	148.962264
"1380504"	362.249024	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H-2H2O"	-35.012676
"1397032"	380.259	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H-H2O"	-17.0027
"294407"	795.530676	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+H"	1.007276
"683548"	1192.792376	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+H"	1.007276
"1355887"	398.268976	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H"	1.007276
"132786"	398.268976	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+2H"	2.014552
"574532"	596.899826	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+2H"	2.014552
"1050991"	199.638126	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2H"	2.014552
"214519"	265.848409333333	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+3H"	3.021828
"659630"	398.268976	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+3H"	3.021828
"1178081"	133.427842666667	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+3H"	3.021828
"438393"	812.557223	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+NH4"	18.033823
"801345"	1209.818923	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+NH4"	18.033823
"1694625"	415.295523	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+NH4"	18.033823
"334524"	406.7822495	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+H+NH4"	19.041099
"731318"	605.4130995	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+H+NH4"	19.041099
"1481859"	208.1513995	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H+NH4"	19.041099
"399449"	817.512618	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+Na"	22.989218
"756432"	1214.774318	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+Na"	22.989218
"1604167"	420.250918	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Na"	22.989218
"316388"	409.259947	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+H+Na"	23.996494
"707959"	607.890797	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+H+Na"	23.996494
"1462507"	210.629097	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H+Na"	23.996494
"1056969"	140.755156666667	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2H+Na"	25.00377
"1259739"	430.295186	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+CH3OH+H"	33.033486
"379407"	833.486558	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+K"	38.963158
"739429"	1230.748258	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+K"	38.963158
"1545013"	436.224858	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+K"	38.963158
"301094"	417.246917	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+H+K"	39.970434
"694244"	615.877767	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+H+K"	39.970434
"1447334"	218.616067	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H+K"	39.970434
"245422"	836.557226	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+ACN+H"	42.033826
"1215943"	439.295526	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+ACN+H"	42.033826
"1197273"	220.151401	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+ACN+2H"	43.041102
"191234"	839.49456	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+2Na-H"	44.97116
"631162"	1236.75626	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+2Na-H"	44.97116
"1132845"	442.23286	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2Na-H"	44.97116
"178323"	420.250918	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+2Na"	45.978436
"619343"	618.881768	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+2Na"	45.978436
"1124313"	221.620068	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2Na"	45.978436
"1402369"	148.082470666667	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H+2Na"	46.985712
"1433021"	444.274446	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H+HCOOH"	47.012746
"222720"	425.28394	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+3H2O+2H"	56.04448
"1512243"	458.32649	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+IsoProp+H"	61.06479
"414116"	428.237888	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+Na+K"	61.952376
"774381"	626.868738	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+Na+K"	61.952376
"1675816"	229.607038	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Na+K"	61.952376
"262337"	858.539168	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+ACN+Na"	64.015768
"1228482"	461.277468	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+ACN+Na"	64.015768
"1714452"	461.300993	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+NH4+HCOOH"	64.039293
"1183824"	155.409784666667	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+3Na"	68.967654
"1653716"	466.256388	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Na+HCOOH"	68.994688
"171520"	871.44244	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+2K-H"	76.91904
"612423"	1268.70414	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+2K-H"	76.91904
"1099488"	474.18074	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2K-H"	76.91904
"156547"	436.224858	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"2M+2K"	77.926316
"596471"	634.855708	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"3M+2K"	77.926316
"1080857"	237.594008	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2K"	77.926316
"1109693"	476.195292	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2K+H"	78.933592
"1348264"	476.282907	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+DMSO+H"	79.021207
"1018981"	480.322076	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2ACN+H"	83.060376
"1538928"	481.315708	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+IsoProp+Na+H"	84.054008
"1004894"	240.664676	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+2ACN+2H"	84.067652
"1599150"	482.230328	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+K+HCOOH"	84.968628
"1428944"	512.261838	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+H+CF3COOH"	115.000138
"1161541"	261.177951	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+3ACN+2H"	125.094202
"1711942"	529.288385	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+NH4+CF3COOH"	132.026685
"1645767"	534.24378	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+Na+CF3COOH"	136.98208
"1583607"	550.21772	"C21142"	"34-Dihydroxy-2-methy-4-(2E6E)-farnesyl-34-dihydroquinoline 1-oxide"	"C25H35NO3"	"397.2617"	"M+K+CF3COOH"	152.95602
"801414"	838.4	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M"	0
"978758"	819.38161	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-H2O-H"	-19.01839
"62900"	557.926057333333	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M-3H"	-3.021828
"503519"	837.392724	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M-3H"	-3.021828
"881444"	278.459390666667	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-3H"	-3.021828
"503"	837.392724	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M-2H"	-2.014552
"440074"	1256.592724	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M-2H"	-2.014552
"817080"	418.192724	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-2H"	-2.014552
"78700"	1675.792724	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M-H"	-1.007276
"519487"	2514.192724	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M-H"	-1.007276
"905315"	837.392724	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-H"	-1.007276
"52035"	1692.819271	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M-2H+NH4"	16.019271
"498158"	2531.219271	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M-2H+NH4"	16.019271
"872678"	854.419271	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-2H+NH4"	16.019271
"40580"	1697.774666	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M-2H+Na"	20.974666
"477952"	2536.174666	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M-2H+Na"	20.974666
"863995"	859.374666	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-2H+Na"	20.974666
"1629665"	859.374666	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Na-2H"	20.974666
"106195"	855.381063	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M-H+Cl"	33.962126
"544661"	1274.581063	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M-H+Cl"	33.962126
"935990"	436.181063	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-H+Cl"	33.962126
"275639"	1711.769402	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+Cl"	34.969402
"675070"	2550.169402	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+Cl"	34.969402
"1287877"	873.369402	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Cl"	34.969402
"26300"	1713.748606	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M-2H+K"	36.948606
"459299"	2552.148606	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M-2H+K"	36.948606
"837100"	875.348606	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-2H+K"	36.948606
"1557671"	875.348606	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+K-2H"	36.948606
"953941"	883.398194	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-H+HCOOH"	44.998194
"371062"	1721.798201	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+HCOOH-H"	44.998201
"357865"	1735.813851	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+Hac-H"	59.013851
"1500869"	897.413851	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Hac-H"	59.013851
"972785"	905.380151	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-H+NaCOOH"	66.980151
"121327"	873.369402	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+2Cl"	69.938804
"553598"	1292.569402	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+2Cl"	69.938804
"1028597"	454.169402	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2Cl"	69.938804
"1256905"	917.318885	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Br"	78.918885
"1319706"	919.374872	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Cl+HCOOH"	80.974872
"1335593"	941.356829	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Cl+NaCOOH"	102.956829
"925748"	951.385586	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M-H+CF3COOH"	112.985586
"1304081"	987.362264	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Cl+CF3COOH"	148.962264
"1380982"	803.387324	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H-2H2O"	-35.012676
"1397387"	821.3973	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H-H2O"	-17.0027
"296339"	1677.807276	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+H"	1.007276
"683658"	2516.207276	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+H"	1.007276
"1355633"	839.407276	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H"	1.007276
"129979"	839.407276	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+2H"	2.014552
"575735"	1258.607276	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+2H"	2.014552
"1051829"	420.207276	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2H"	2.014552
"216817"	559.940609333333	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+3H"	3.021828
"657470"	839.407276	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+3H"	3.021828
"1177662"	280.473942666667	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+3H"	3.021828
"438505"	1694.833823	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+NH4"	18.033823
"799861"	2533.233823	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+NH4"	18.033823
"1690726"	856.433823	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+NH4"	18.033823
"335725"	847.9205495	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+H+NH4"	19.041099
"734344"	1267.1205495	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+H+NH4"	19.041099
"1481968"	428.7205495	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H+NH4"	19.041099
"397369"	1699.789218	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+Na"	22.989218
"758368"	2538.189218	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+Na"	22.989218
"1606464"	861.389218	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Na"	22.989218
"315766"	850.398247	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+H+Na"	23.996494
"708189"	1269.598247	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+H+Na"	23.996494
"1461643"	431.198247	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H+Na"	23.996494
"1052938"	287.801256666667	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2H+Na"	25.00377
"1257294"	871.433486	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+CH3OH+H"	33.033486
"377283"	1715.763158	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+K"	38.963158
"738618"	2554.163158	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+K"	38.963158
"1542204"	877.363158	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+K"	38.963158
"301204"	858.385217	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+H+K"	39.970434
"692531"	1277.585217	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+H+K"	39.970434
"1445986"	439.185217	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H+K"	39.970434
"243347"	1718.833826	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+ACN+H"	42.033826
"1221522"	880.433826	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+ACN+H"	42.033826
"1203217"	440.720551	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+ACN+2H"	43.041102
"196088"	1721.77116	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+2Na-H"	44.97116
"635648"	2560.17116	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+2Na-H"	44.97116
"1132955"	883.37116	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2Na-H"	44.97116
"177343"	861.389218	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+2Na"	45.978436
"623101"	1280.589218	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+2Na"	45.978436
"1121140"	442.189218	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2Na"	45.978436
"1405755"	295.128570666667	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H+2Na"	46.985712
"1437870"	885.412746	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H+HCOOH"	47.012746
"223194"	866.42224	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+3H2O+2H"	56.04448
"1513446"	899.46479	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+IsoProp+H"	61.06479
"409848"	869.376188	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+Na+K"	61.952376
"779596"	1288.576188	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+Na+K"	61.952376
"1669365"	450.176188	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Na+K"	61.952376
"262447"	1740.815768	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+ACN+Na"	64.015768
"1228599"	902.415768	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+ACN+Na"	64.015768
"1714568"	902.439293	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+NH4+HCOOH"	64.039293
"1186120"	302.455884666667	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+3Na"	68.967654
"1653826"	907.394688	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Na+HCOOH"	68.994688
"172774"	1753.71904	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+2K-H"	76.91904
"612416"	2592.11904	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+2K-H"	76.91904
"1099848"	915.31904	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2K-H"	76.91904
"156910"	877.363158	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"2M+2K"	77.926316
"596823"	1296.563158	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"3M+2K"	77.926316
"1079874"	458.163158	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2K"	77.926316
"1111990"	917.333592	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2K+H"	78.933592
"1350077"	917.421207	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+DMSO+H"	79.021207
"1021269"	921.460376	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2ACN+H"	83.060376
"1538919"	922.454008	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+IsoProp+Na+H"	84.054008
"1005374"	461.233826	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+2ACN+2H"	84.067652
"1601939"	923.368628	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+K+HCOOH"	84.968628
"1429175"	953.400138	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+H+CF3COOH"	115.000138
"1162381"	481.747101	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+3ACN+2H"	125.094202
"1711687"	970.426685	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+NH4+CF3COOH"	132.026685
"1645877"	975.38208	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+Na+CF3COOH"	136.98208
"1583717"	991.35602	"C21143"	"2-N-Hydroxyrifampicin;2-N-Hydroxy-4-oxorifampicin"	"C43H58N4O13"	"838.4"	"M+K+CF3COOH"	152.95602
"802053"	226.0702	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M"	0
"978868"	207.05181	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-H2O-H"	-19.01839
"63462"	149.706190666667	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M-3H"	-3.021828
"504843"	225.062924	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M-3H"	-3.021828
"882279"	74.3494573333333	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-3H"	-3.021828
"1949"	225.062924	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M-2H"	-2.014552
"441144"	338.098024	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M-2H"	-2.014552
"817155"	112.027824	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-2H"	-2.014552
"79048"	451.133124	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M-H"	-1.007276
"521418"	677.203324	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M-H"	-1.007276
"900319"	225.062924	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-H"	-1.007276
"48126"	468.159671	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M-2H+NH4"	16.019271
"498268"	694.229871	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M-2H+NH4"	16.019271
"874974"	242.089471	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-2H+NH4"	16.019271
"37773"	473.115066	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M-2H+Na"	20.974666
"478062"	699.185266	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M-2H+Na"	20.974666
"862432"	247.044866	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-2H+Na"	20.974666
"1628681"	247.044866	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Na-2H"	20.974666
"100837"	243.051263	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M-H+Cl"	33.962126
"542583"	356.086363	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M-H+Cl"	33.962126
"930631"	130.016163	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-H+Cl"	33.962126
"277934"	487.109802	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+Cl"	34.969402
"671451"	713.180002	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+Cl"	34.969402
"1281667"	261.039602	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Cl"	34.969402
"22036"	489.089006	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M-2H+K"	36.948606
"459409"	715.159206	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M-2H+K"	36.948606
"833320"	263.018806	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-2H+K"	36.948606
"1556686"	263.018806	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+K-2H"	36.948606
"955144"	271.068394	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-H+HCOOH"	44.998194
"367892"	497.138601	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+HCOOH-H"	44.998201
"359068"	511.154251	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+Hac-H"	59.013851
"1507910"	285.084051	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Hac-H"	59.013851
"964874"	293.050351	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-H+NaCOOH"	66.980151
"118156"	261.039602	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+2Cl"	69.938804
"553343"	374.074702	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+2Cl"	69.938804
"1026520"	148.004502	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2Cl"	69.938804
"1256961"	304.989085	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Br"	78.918885
"1318397"	307.045072	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Cl+HCOOH"	80.974872
"1335450"	329.027029	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Cl+NaCOOH"	102.956829
"924763"	339.055786	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M-H+CF3COOH"	112.985586
"1303177"	375.032464	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Cl+CF3COOH"	148.962264
"1379633"	191.057524	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H-2H2O"	-35.012676
"1395672"	209.0675	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H-H2O"	-17.0027
"293533"	453.147676	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+H"	1.007276
"681581"	679.217876	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+H"	1.007276
"1354650"	227.077476	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H"	1.007276
"129724"	227.077476	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+2H"	2.014552
"567825"	340.112576	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+2H"	2.014552
"1051818"	114.042376	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2H"	2.014552
"218386"	151.720742666667	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+3H"	3.021828
"658308"	227.077476	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+3H"	3.021828
"1175703"	76.3640093333333	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+3H"	3.021828
"430230"	470.174223	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+NH4"	18.033823
"797785"	696.244423	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+NH4"	18.033823
"1685368"	244.104023	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+NH4"	18.033823
"330405"	235.5907495	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+H+NH4"	19.041099
"728257"	348.6258495	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+H+NH4"	19.041099
"1478799"	122.5556495	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H+NH4"	19.041099
"395293"	475.129618	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+Na"	22.989218
"758478"	701.199818	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+Na"	22.989218
"1606574"	249.059418	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Na"	22.989218
"315026"	238.068447	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+H+Na"	23.996494
"707199"	351.103547	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+H+Na"	23.996494
"1462845"	125.033347	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H+Na"	23.996494
"1052972"	83.6913233333333	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2H+Na"	25.00377
"1257404"	259.103686	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+CH3OH+H"	33.033486
"377236"	491.103558	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+K"	38.963158
"738919"	717.173758	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+K"	38.963158
"1540283"	265.033358	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+K"	38.963158
"301678"	246.055417	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+H+K"	39.970434
"691745"	359.090517	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+H+K"	39.970434
"1445926"	133.020317	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H+K"	39.970434
"237986"	494.174226	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+ACN+H"	42.033826
"1214341"	268.104026	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+ACN+H"	42.033826
"1197128"	134.555651	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+ACN+2H"	43.041102
"189999"	497.11156	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+2Na-H"	44.97116
"630289"	723.18176	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+2Na-H"	44.97116
"1131969"	271.04136	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2Na-H"	44.97116
"173802"	249.059418	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+2Na"	45.978436
"614459"	362.094518	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+2Na"	45.978436
"1115898"	136.024318	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2Na"	45.978436
"1400027"	91.0186373333333	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H+2Na"	46.985712
"1431052"	273.082946	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H+HCOOH"	47.012746
"220384"	254.09244	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+3H2O+2H"	56.04448
"1512463"	287.13499	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+IsoProp+H"	61.06479
"408815"	257.046388	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+Na+K"	61.952376
"773146"	370.081488	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+Na+K"	61.952376
"1669475"	144.011288	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Na+K"	61.952376
"255997"	516.156168	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+ACN+Na"	64.015768
"1225617"	290.085968	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+ACN+Na"	64.015768
"1712972"	290.109493	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+NH4+HCOOH"	64.039293
"1180030"	98.3459513333333	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+3Na"	68.967654
"1651012"	295.064888	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Na+HCOOH"	68.994688
"172349"	529.05944	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+2K-H"	76.91904
"612157"	755.12964	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+2K-H"	76.91904
"1099838"	302.98924	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2K-H"	76.91904
"156523"	265.033358	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"2M+2K"	77.926316
"596448"	378.068458	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"3M+2K"	77.926316
"1077797"	151.998258	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2K"	77.926316
"1112100"	305.003792	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2K+H"	78.933592
"1351221"	305.091407	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+DMSO+H"	79.021207
"1020054"	309.130576	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2ACN+H"	83.060376
"1538420"	310.124208	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+IsoProp+Na+H"	84.054008
"1005565"	155.068926	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+2ACN+2H"	84.067652
"1602049"	311.038828	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+K+HCOOH"	84.968628
"1429045"	341.070338	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+H+CF3COOH"	115.000138
"1161882"	175.582201	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+3ACN+2H"	125.094202
"1709245"	358.096885	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+NH4+CF3COOH"	132.026685
"1639427"	363.05228	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+Na+CF3COOH"	136.98208
"1583827"	379.02622	"C21144"	"137-Trimethyl-5-hydroxyisourate"	"C8H10N4O4"	"226.0702"	"M+K+CF3COOH"	152.95602
"804350"	514.2468	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M"	0
"977156"	495.22841	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-H2O-H"	-19.01839
"65034"	341.823924	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M-3H"	-3.021828
"504591"	513.239524	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M-3H"	-3.021828
"881661"	170.408324	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-3H"	-3.021828
"3152"	513.239524	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M-2H"	-2.014552
"440646"	770.362924	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M-2H"	-2.014552
"817714"	256.116124	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-2H"	-2.014552
"79167"	1027.486324	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M-H"	-1.007276
"520920"	1541.733124	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M-H"	-1.007276
"900793"	513.239524	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-H"	-1.007276
"47871"	1044.512871	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M-2H+NH4"	16.019271
"498378"	1558.759671	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M-2H+NH4"	16.019271
"873991"	530.266071	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-2H+NH4"	16.019271
"37154"	1049.468266	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M-2H+Na"	20.974666
"478536"	1563.715066	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M-2H+Na"	20.974666
"860354"	535.221466	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-2H+Na"	20.974666
"1628791"	535.221466	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Na-2H"	20.974666
"103134"	531.227863	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M-H+Cl"	33.962126
"539413"	788.351263	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M-H+Cl"	33.962126
"930741"	274.104463	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-H+Cl"	33.962126
"273671"	1063.463002	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+Cl"	34.969402
"670468"	1577.709802	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+Cl"	34.969402
"1280684"	549.216202	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Cl"	34.969402
"22146"	1065.442206	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M-2H+K"	36.948606
"459519"	1579.689006	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M-2H+K"	36.948606
"833673"	551.195406	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-2H+K"	36.948606
"1557526"	551.195406	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+K-2H"	36.948606
"955254"	559.244994	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-H+HCOOH"	44.998194
"368002"	1073.491801	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+HCOOH-H"	44.998201
"358814"	1087.507451	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+Hac-H"	59.013851
"1508020"	573.260651	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Hac-H"	59.013851
"964985"	581.226951	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-H+NaCOOH"	66.980151
"121546"	549.216202	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+2Cl"	69.938804
"551630"	806.339602	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+2Cl"	69.938804
"1023350"	292.092802	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2Cl"	69.938804
"1256917"	593.165685	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Br"	78.918885
"1318143"	595.221672	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Cl+HCOOH"	80.974872
"1333816"	617.203629	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Cl+NaCOOH"	102.956829
"924146"	627.232386	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M-H+CF3COOH"	112.985586
"1303406"	663.209064	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Cl+CF3COOH"	148.962264
"1379743"	479.234124	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H-2H2O"	-35.012676
"1396510"	497.2441	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H-H2O"	-17.0027
"295831"	1029.500876	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+H"	1.007276
"681691"	1543.747676	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+H"	1.007276
"1353667"	515.254076	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H"	1.007276
"128741"	515.254076	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+2H"	2.014552
"569395"	772.377476	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+2H"	2.014552
"1051320"	258.130676	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2H"	2.014552
"218129"	343.838476	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+3H"	3.021828
"651129"	515.254076	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+3H"	3.021828
"1171442"	172.422876	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+3H"	3.021828
"427060"	1046.527423	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+NH4"	18.033823
"792429"	1560.774223	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+NH4"	18.033823
"1690949"	532.280623	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+NH4"	18.033823
"330959"	523.7673495	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+H+NH4"	19.041099
"725087"	780.8907495	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+H+NH4"	19.041099
"1478909"	266.6439495	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H+NH4"	19.041099
"394310"	1051.482818	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+Na"	22.989218
"755672"	1565.729618	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+Na"	22.989218
"1603402"	537.236018	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Na"	22.989218
"314762"	526.245047	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+H+Na"	23.996494
"707425"	783.368447	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+H+Na"	23.996494
"1461982"	269.121647	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H+Na"	23.996494
"1053159"	179.75019	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2H+Na"	25.00377
"1257876"	547.280286	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+CH3OH+H"	33.033486
"377786"	1067.456758	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+K"	38.963158
"739270"	1581.703558	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+K"	38.963158
"1540475"	553.209958	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+K"	38.963158
"298723"	534.232017	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+H+K"	39.970434
"691896"	791.355417	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+H+K"	39.970434
"1446080"	277.108617	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H+K"	39.970434
"241011"	1070.527426	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+ACN+H"	42.033826
"1215543"	556.280626	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+ACN+H"	42.033826
"1200520"	278.643951	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+ACN+2H"	43.041102
"190838"	1073.46476	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+2Na-H"	44.97116
"630034"	1587.71156	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+2Na-H"	44.97116
"1133540"	559.21796	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2Na-H"	44.97116
"173911"	537.236018	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+2Na"	45.978436
"614564"	794.359418	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+2Na"	45.978436
"1116979"	280.112618	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2Na"	45.978436
"1401598"	187.077504	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H+2Na"	46.985712
"1432254"	561.259546	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H+HCOOH"	47.012746
"220860"	542.26904	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+3H2O+2H"	56.04448
"1510386"	575.31159	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+IsoProp+H"	61.06479
"408881"	545.222988	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+Na+K"	61.952376
"773619"	802.346388	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+Na+K"	61.952376
"1665730"	288.099588	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Na+K"	61.952376
"251597"	1092.509368	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+ACN+Na"	64.015768
"1226990"	578.262568	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+ACN+Na"	64.015768
"1713189"	578.286093	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+NH4+HCOOH"	64.039293
"1178840"	194.404818	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+3Na"	68.967654
"1650353"	583.241488	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Na+HCOOH"	68.994688
"172337"	1105.41264	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+2K-H"	76.91904
"612023"	1619.65944	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+2K-H"	76.91904
"1099414"	591.16584	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2K-H"	76.91904
"156269"	553.209958	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"2M+2K"	77.926316
"596800"	810.333358	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"3M+2K"	77.926316
"1082770"	296.086558	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2K"	77.926316
"1113184"	593.180392	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2K+H"	78.933592
"1350948"	593.268007	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+DMSO+H"	79.021207
"1020773"	597.307176	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2ACN+H"	83.060376
"1535250"	598.300808	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+IsoProp+Na+H"	84.054008
"1005347"	299.157226	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+2ACN+2H"	84.067652
"1602525"	599.215428	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+K+HCOOH"	84.968628
"1429275"	629.246938	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+H+CF3COOH"	115.000138
"1161870"	319.670501	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+3ACN+2H"	125.094202
"1709355"	646.273485	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+NH4+CF3COOH"	132.026685
"1639537"	651.22888	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+Na+CF3COOH"	136.98208
"1583937"	667.20282	"C21145"	"Protoasukamycin"	"C31H34N2O5"	"514.2468"	"M+K+CF3COOH"	152.95602
"803366"	530.2417	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M"	0
"981274"	511.22331	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-H2O-H"	-19.01839
"65143"	352.487190666667	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M-3H"	-3.021828
"504701"	529.234424	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M-3H"	-3.021828
"881406"	175.739957333333	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-3H"	-3.021828
"2169"	529.234424	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M-2H"	-2.014552
"440755"	794.355274	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M-2H"	-2.014552
"817830"	264.113574	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-2H"	-2.014552
"79641"	1059.476124	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M-H"	-1.007276
"521274"	1589.717824	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M-H"	-1.007276
"901632"	529.234424	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-H"	-1.007276
"48103"	1076.502671	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M-2H+NH4"	16.019271
"501405"	1606.744371	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M-2H+NH4"	16.019271
"876287"	546.260971	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-2H+NH4"	16.019271
"37629"	1081.458066	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M-2H+Na"	20.974666
"478282"	1611.699766	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M-2H+Na"	20.974666
"859370"	551.216366	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-2H+Na"	20.974666
"1629994"	551.216366	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Na-2H"	20.974666
"106523"	547.222763	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M-H+Cl"	33.962126
"540616"	812.343613	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M-H+Cl"	33.962126
"930851"	282.101913	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-H+Cl"	33.962126
"274874"	1095.452802	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+Cl"	34.969402
"673857"	1625.694502	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+Cl"	34.969402
"1281887"	565.211102	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Cl"	34.969402
"22256"	1097.432006	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M-2H+K"	36.948606
"459629"	1627.673706	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M-2H+K"	36.948606
"833540"	567.190306	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-2H+K"	36.948606
"1557636"	567.190306	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+K-2H"	36.948606
"944429"	575.239894	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-H+HCOOH"	44.998194
"363737"	1105.481601	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+HCOOH-H"	44.998201
"353090"	1119.497251	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+Hac-H"	59.013851
"1507520"	589.255551	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Hac-H"	59.013851
"961815"	597.221851	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-H+NaCOOH"	66.980151
"116188"	565.211102	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+2Cl"	69.938804
"551740"	830.331952	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+2Cl"	69.938804
"1023460"	300.090252	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2Cl"	69.938804
"1256904"	609.160585	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Br"	78.918885
"1317525"	611.216572	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Cl+HCOOH"	80.974872
"1333562"	633.198529	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Cl+NaCOOH"	102.956829
"924499"	643.227286	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M-H+CF3COOH"	112.985586
"1301330"	679.203964	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Cl+CF3COOH"	148.962264
"1374384"	495.229024	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H-2H2O"	-35.012676
"1395890"	513.239	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H-H2O"	-17.0027
"293753"	1061.490676	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+H"	1.007276
"679614"	1591.732376	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+H"	1.007276
"1355233"	531.248976	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H"	1.007276
"128485"	531.248976	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+2H"	2.014552
"568410"	796.369826	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+2H"	2.014552
"1043772"	266.128126	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2H"	2.014552
"218239"	354.501742666667	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+3H"	3.021828
"649053"	531.248976	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+3H"	3.021828
"1168272"	177.754509333333	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+3H"	3.021828
"426076"	1078.517223	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+NH4"	18.033823
"792539"	1608.758923	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+NH4"	18.033823
"1691059"	548.275523	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+NH4"	18.033823
"331801"	539.7622495	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+H+NH4"	19.041099
"724827"	804.8830995	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+H+NH4"	19.041099
"1478045"	274.6413995	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H+NH4"	19.041099
"399888"	1083.472618	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+Na"	22.989218
"755903"	1613.714318	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+Na"	22.989218
"1603508"	553.230918	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Na"	22.989218
"315001"	542.239947	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+H+Na"	23.996494
"707706"	807.360797	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+H+Na"	23.996494
"1461849"	277.119097	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H+Na"	23.996494
"1053271"	185.081823333333	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2H+Na"	25.00377
"1257379"	563.275186	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+CH3OH+H"	33.033486
"377699"	1099.446558	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+K"	38.963158
"739385"	1629.688258	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+K"	38.963158
"1541439"	569.204858	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+K"	38.963158
"299579"	550.226917	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+H+K"	39.970434
"692860"	815.347767	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+H+K"	39.970434
"1446556"	285.106067	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H+K"	39.970434
"240028"	1102.517226	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+ACN+H"	42.033826
"1213464"	572.275526	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+ACN+H"	42.033826
"1198440"	286.641401	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+ACN+2H"	43.041102
"189729"	1105.45456	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+2Na-H"	44.97116
"629773"	1635.69626	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+2Na-H"	44.97116
"1133643"	575.21286	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2Na-H"	44.97116
"175849"	553.230918	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+2Na"	45.978436
"613947"	818.351768	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+2Na"	45.978436
"1117818"	288.110068	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2Na"	45.978436
"1402072"	192.409137333333	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H+2Na"	46.985712
"1432000"	577.254446	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H+HCOOH"	47.012746
"221456"	558.26394	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+3H2O+2H"	56.04448
"1511224"	591.30649	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+IsoProp+H"	61.06479
"410173"	561.217888	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+Na+K"	61.952376
"771541"	826.338738	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+Na+K"	61.952376
"1667135"	296.097038	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Na+K"	61.952376
"252318"	1124.499168	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+ACN+Na"	64.015768
"1226737"	594.257468	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+ACN+Na"	64.015768
"1713550"	594.280993	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+NH4+HCOOH"	64.039293
"1180008"	199.736451333333	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+3Na"	68.967654
"1650340"	599.236388	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Na+HCOOH"	68.994688
"172409"	1137.40244	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+2K-H"	76.91904
"611891"	1667.64414	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+2K-H"	76.91904
"1099565"	607.16074	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2K-H"	76.91904
"156380"	569.204858	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"2M+2K"	77.926316
"596831"	834.325708	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"3M+2K"	77.926316
"1082759"	304.084008	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2K"	77.926316
"1114754"	609.175292	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2K+H"	78.933592
"1351098"	609.262907	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+DMSO+H"	79.021207
"1019182"	613.302076	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2ACN+H"	83.060376
"1536453"	614.295708	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+IsoProp+Na+H"	84.054008
"1005458"	307.154676	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+2ACN+2H"	84.067652
"1602701"	615.210328	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+K+HCOOH"	84.968628
"1429263"	645.241838	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+H+CF3COOH"	115.000138
"1161008"	327.667951	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+3ACN+2H"	125.094202
"1710558"	662.268385	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+NH4+CF3COOH"	132.026685
"1639647"	667.22378	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+Na+CF3COOH"	136.98208
"1584047"	683.19772	"C21146"	"4-Hydroxyprotoasukamycin"	"C31H34N2O6"	"530.2417"	"M+K+CF3COOH"	152.95602
"802383"	406.143	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M"	0
"980291"	387.12461	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-H2O-H"	-19.01839
"63430"	269.754724	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M-3H"	-3.021828
"504811"	405.135724	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M-3H"	-3.021828
"881517"	134.373724	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-3H"	-3.021828
"1186"	405.135724	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M-2H"	-2.014552
"442934"	608.207224	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M-2H"	-2.014552
"819639"	202.064224	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-2H"	-2.014552
"80359"	811.278724	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M-H"	-1.007276
"520655"	1217.421724	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M-H"	-1.007276
"901378"	405.135724	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-H"	-1.007276
"48458"	828.305271	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M-2H+NH4"	16.019271
"502695"	1234.448271	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M-2H+NH4"	16.019271
"876397"	422.162271	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-2H+NH4"	16.019271
"41019"	833.260666	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M-2H+Na"	20.974666
"479485"	1239.403666	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M-2H+Na"	20.974666
"860573"	427.117666	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-2H+Na"	20.974666
"1630104"	427.117666	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Na-2H"	20.974666
"103353"	423.124063	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M-H+Cl"	33.962126
"540726"	626.195563	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M-H+Cl"	33.962126
"930961"	220.052563	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-H+Cl"	33.962126
"274984"	847.255402	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+Cl"	34.969402
"673846"	1253.398402	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+Cl"	34.969402
"1281997"	441.112402	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Cl"	34.969402
"22366"	849.234606	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M-2H+K"	36.948606
"460832"	1255.377606	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M-2H+K"	36.948606
"833527"	443.091606	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-2H+K"	36.948606
"1557746"	443.091606	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+K-2H"	36.948606
"944539"	451.141194	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-H+HCOOH"	44.998194
"362022"	857.284201	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+HCOOH-H"	44.998201
"353200"	871.299851	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+Hac-H"	59.013851
"1507140"	465.156851	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Hac-H"	59.013851
"962652"	473.123151	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-H+NaCOOH"	66.980151
"116297"	441.112402	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+2Cl"	69.938804
"554764"	644.183902	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+2Cl"	69.938804
"1023568"	238.040902	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2Cl"	69.938804
"1253360"	485.061885	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Br"	78.918885
"1316535"	487.117872	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Cl+HCOOH"	80.974872
"1331119"	509.099829	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Cl+NaCOOH"	102.956829
"920718"	519.128586	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M-H+CF3COOH"	112.985586
"1297792"	555.105264	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Cl+CF3COOH"	148.962264
"1373400"	371.130324	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H-2H2O"	-35.012676
"1387617"	389.1403	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H-H2O"	-17.0027
"290583"	813.293276	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+H"	1.007276
"680087"	1219.436276	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+H"	1.007276
"1357165"	407.150276	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H"	1.007276
"127868"	407.150276	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+2H"	2.014552
"569247"	610.221776	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+2H"	2.014552
"1039143"	204.078776	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2H"	2.014552
"214705"	271.769276	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+3H"	3.021828
"649163"	407.150276	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+3H"	3.021828
"1167288"	136.388276	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+3H"	3.021828
"429467"	830.319823	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+NH4"	18.033823
"788639"	1236.462823	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+NH4"	18.033823
"1687889"	424.176823	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+NH4"	18.033823
"332888"	415.6635495	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+H+NH4"	19.041099
"723236"	618.7350495	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+H+NH4"	19.041099
"1478765"	212.5920495	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H+NH4"	19.041099
"393803"	835.275218	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+Na"	22.989218
"755892"	1241.418218	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+Na"	22.989218
"1603863"	429.132218	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Na"	22.989218
"315115"	418.141247	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+H+Na"	23.996494
"707774"	621.212747	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+H+Na"	23.996494
"1461838"	215.069747	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H+Na"	23.996494
"1053385"	143.71559	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2H+Na"	25.00377
"1258103"	439.176486	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+CH3OH+H"	33.033486
"377642"	851.249158	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+K"	38.963158
"742048"	1257.392158	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+K"	38.963158
"1540576"	445.106158	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+K"	38.963158
"299163"	426.128217	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+H+K"	39.970434
"695886"	629.199717	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+H+K"	39.970434
"1446788"	223.056717	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H+K"	39.970434
"240138"	854.319826	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+ACN+H"	42.033826
"1212845"	448.176826	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+ACN+H"	42.033826
"1198186"	224.592051	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+ACN+2H"	43.041102
"190327"	857.25716	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+2Na-H"	44.97116
"629643"	1263.40016	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+2Na-H"	44.97116
"1134844"	451.11416	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2Na-H"	44.97116
"175227"	429.132218	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+2Na"	45.978436
"614056"	632.203718	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+2Na"	45.978436
"1116835"	226.060718	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2Na"	45.978436
"1402186"	151.042904	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H+2Na"	46.985712
"1432475"	453.155746	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H+HCOOH"	47.012746
"221204"	434.16524	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+3H2O+2H"	56.04448
"1510971"	467.20779	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+IsoProp+H"	61.06479
"409919"	437.119188	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+Na+K"	61.952376
"770921"	640.190688	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+Na+K"	61.952376
"1666878"	234.047688	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Na+K"	61.952376
"252550"	876.301768	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+ACN+Na"	64.015768
"1225995"	470.158768	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+ACN+Na"	64.015768
"1713908"	470.182293	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+NH4+HCOOH"	64.039293
"1180119"	158.370218	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+3Na"	68.967654
"1650736"	475.137688	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Na+HCOOH"	68.994688
"171342"	889.20504	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+2K-H"	76.91904
"612610"	1295.34804	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+2K-H"	76.91904
"1099556"	483.06204	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2K-H"	76.91904
"155148"	445.106158	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"2M+2K"	77.926316
"591428"	648.177658	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"3M+2K"	77.926316
"1080314"	242.034658	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2K"	77.926316
"1114743"	485.076592	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2K+H"	78.933592
"1350396"	485.164207	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+DMSO+H"	79.021207
"1020021"	489.203376	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2ACN+H"	83.060376
"1536563"	490.197008	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+IsoProp+Na+H"	84.054008
"1004597"	245.105326	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+2ACN+2H"	84.067652
"1601890"	491.111628	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+K+HCOOH"	84.968628
"1429009"	521.143138	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+H+CF3COOH"	115.000138
"1160025"	265.618601	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+3ACN+2H"	125.094202
"1711761"	538.169685	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+NH4+CF3COOH"	132.026685
"1643037"	543.12508	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+Na+CF3COOH"	136.98208
"1584157"	559.09902	"C21147"	"Asperlicin C"	"C25H18N4O2"	"406.143"	"M+K+CF3COOH"	152.95602
"801560"	422.1379	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M"	0
"980401"	403.11951	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-H2O-H"	-19.01839
"63123"	280.417990666667	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M-3H"	-3.021828
"503138"	421.130624	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M-3H"	-3.021828
"881628"	139.705357333333	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-3H"	-3.021828
"363"	421.130624	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M-2H"	-2.014552
"441950"	632.199574	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M-2H"	-2.014552
"818291"	210.061674	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-2H"	-2.014552
"81928"	843.268524	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M-H"	-1.007276
"521129"	1265.406424	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M-H"	-1.007276
"900395"	421.130624	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-H"	-1.007276
"48445"	860.295071	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M-2H+NH4"	16.019271
"501139"	1282.432971	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M-2H+NH4"	16.019271
"875414"	438.157171	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-2H+NH4"	16.019271
"43681"	865.250466	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M-2H+Na"	20.974666
"478502"	1287.388366	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M-2H+Na"	20.974666
"858497"	443.112566	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-2H+Na"	20.974666
"1628029"	443.112566	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Na-2H"	20.974666
"101275"	439.118963	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M-H+Cl"	33.962126
"539744"	650.187913	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M-H+Cl"	33.962126
"936539"	228.050013	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-H+Cl"	33.962126
"275094"	879.245202	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+Cl"	34.969402
"671892"	1301.383102	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+Cl"	34.969402
"1286482"	457.107302	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Cl"	34.969402
"30131"	881.224406	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M-2H+K"	36.948606
"460942"	1303.362306	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M-2H+K"	36.948606
"833517"	459.086506	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-2H+K"	36.948606
"1555948"	459.086506	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+K-2H"	36.948606
"952304"	467.136094	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-H+HCOOH"	44.998194
"363957"	889.274001	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+HCOOH-H"	44.998201
"353310"	903.289651	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+Hac-H"	59.013851
"1505793"	481.151751	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Hac-H"	59.013851
"960941"	489.118051	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-H+NaCOOH"	66.980151
"114221"	457.107302	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+2Cl"	69.938804
"553782"	668.176252	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+2Cl"	69.938804
"1021528"	246.038352	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2Cl"	69.938804
"1254563"	501.056785	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Br"	78.918885
"1316645"	503.112772	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Cl+HCOOH"	80.974872
"1333417"	525.094729	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Cl+NaCOOH"	102.956829
"922286"	535.123486	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M-H+CF3COOH"	112.985586
"1298265"	571.100164	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Cl+CF3COOH"	148.962264
"1371323"	387.125224	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H-2H2O"	-35.012676
"1387725"	405.1352	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H-H2O"	-17.0027
"286319"	845.283076	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+H"	1.007276
"682019"	1267.420976	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+H"	1.007276
"1353992"	423.145176	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H"	1.007276
"130161"	423.145176	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+2H"	2.014552
"567901"	634.214126	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+2H"	2.014552
"1041805"	212.076226	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2H"	2.014552
"214815"	282.432542666667	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+3H"	3.021828
"649273"	423.145176	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+3H"	3.021828
"1166305"	141.719909333333	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+3H"	3.021828
"428484"	862.309623	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+NH4"	18.033823
"790571"	1284.447523	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+NH4"	18.033823
"1687999"	440.171723	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+NH4"	18.033823
"331539"	431.6584495	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+H+NH4"	19.041099
"722902"	642.7273995	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+H+NH4"	19.041099
"1477059"	220.5894995	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H+NH4"	19.041099
"395733"	867.265018	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+Na"	22.989218
"754905"	1289.402918	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+Na"	22.989218
"1604825"	445.127118	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Na"	22.989218
"314300"	434.136147	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+H+Na"	23.996494
"707101"	645.205097	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+H+Na"	23.996494
"1461463"	223.067197	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H+Na"	23.996494
"1052884"	149.047223333333	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2H+Na"	25.00377
"1257086"	455.171386	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+CH3OH+H"	33.033486
"377217"	883.238958	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+K"	38.963158
"741428"	1305.376858	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+K"	38.963158
"1540199"	461.101058	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+K"	38.963158
"298568"	442.123117	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+H+K"	39.970434
"691735"	653.192067	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+H+K"	39.970434
"1446894"	231.054167	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H+K"	39.970434
"238059"	886.309626	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+ACN+H"	42.033826
"1212225"	464.171726	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+ACN+H"	42.033826
"1194770"	232.589501	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+ACN+2H"	43.041102
"191530"	889.24696	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+2Na-H"	44.97116
"629994"	1311.38486	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+2Na-H"	44.97116
"1133619"	467.10906	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2Na-H"	44.97116
"174608"	445.127118	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+2Na"	45.978436
"615751"	656.196068	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+2Na"	45.978436
"1116455"	234.058168	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2Na"	45.978436
"1400832"	156.374537333333	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H+2Na"	46.985712
"1431848"	469.150646	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H+HCOOH"	47.012746
"220822"	450.16014	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+3H2O+2H"	56.04448
"1509010"	483.20269	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+IsoProp+H"	61.06479
"409422"	453.114088	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+Na+K"	61.952376
"771394"	664.183038	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+Na+K"	61.952376
"1666623"	242.045138	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Na+K"	61.952376
"251726"	908.291568	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+ACN+Na"	64.015768
"1226594"	486.153668	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+ACN+Na"	64.015768
"1714746"	486.177193	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+NH4+HCOOH"	64.039293
"1180103"	163.701851333333	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+3Na"	68.967654
"1651090"	491.132588	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Na+HCOOH"	68.994688
"171087"	921.19484	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+2K-H"	76.91904
"612600"	1343.33274	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+2K-H"	76.91904
"1099541"	499.05694	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2K-H"	76.91904
"155258"	461.101058	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"2M+2K"	77.926316
"591538"	672.170008	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"3M+2K"	77.926316
"1080424"	250.032108	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2K"	77.926316
"1115216"	501.071492	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2K+H"	78.933592
"1350748"	501.159107	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+DMSO+H"	79.021207
"1020252"	505.198276	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2ACN+H"	83.060376
"1538739"	506.191908	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+IsoProp+Na+H"	84.054008
"1004947"	253.102776	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+2ACN+2H"	84.067652
"1599813"	507.106528	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+K+HCOOH"	84.968628
"1428390"	537.138038	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+H+CF3COOH"	115.000138
"1160135"	273.616051	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+3ACN+2H"	125.094202
"1707498"	554.164585	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+NH4+CF3COOH"	132.026685
"1643147"	559.11998	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+Na+CF3COOH"	136.98208
"1584267"	575.09392	"C21148"	"Asperlicin E"	"C25H18N4O3"	"422.1379"	"M+K+CF3COOH"	152.95602
"805883"	200.0296	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M"	0
"981604"	181.01121	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-H2O-H"	-19.01839
"63282"	132.345790666667	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M-3H"	-3.021828
"507219"	199.022324	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M-3H"	-3.021828
"883925"	65.6692573333333	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-3H"	-3.021828
"7969"	199.022324	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M-2H"	-2.014552
"444248"	299.037124	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M-2H"	-2.014552
"820225"	99.007524	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-2H"	-2.014552
"82040"	399.051924	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M-H"	-1.007276
"520146"	599.081524	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M-H"	-1.007276
"900505"	199.022324	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-H"	-1.007276
"48677"	416.078471	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M-2H+NH4"	16.019271
"500156"	616.108071	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M-2H+NH4"	16.019271
"875525"	216.048871	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-2H+NH4"	16.019271
"43427"	421.033866	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M-2H+Na"	20.974666
"478612"	621.063466	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M-2H+Na"	20.974666
"863711"	221.004266	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-2H+Na"	20.974666
"1629232"	221.004266	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Na-2H"	20.974666
"100292"	217.010663	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M-H+Cl"	33.962126
"540947"	317.025463	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M-H+Cl"	33.962126
"936649"	116.995863	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-H+Cl"	33.962126
"273017"	435.028602	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+Cl"	34.969402
"669815"	635.058202	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+Cl"	34.969402
"1285499"	234.999002	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Cl"	34.969402
"26961"	437.007806	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M-2H+K"	36.948606
"458865"	637.037406	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M-2H+K"	36.948606
"835572"	236.978206	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-2H+K"	36.948606
"1561245"	236.978206	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+K-2H"	36.948606
"951321"	245.027794	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-H+HCOOH"	44.998194
"365160"	445.057401	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+HCOOH-H"	44.998201
"353420"	459.073051	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+Hac-H"	59.013851
"1504444"	259.043451	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Hac-H"	59.013851
"964332"	267.009751	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-H+NaCOOH"	66.980151
"115425"	234.999002	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+2Cl"	69.938804
"553892"	335.013802	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+2Cl"	69.938804
"1021966"	134.984202	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2Cl"	69.938804
"1255407"	278.948485	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Br"	78.918885
"1317849"	281.004472	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Cl+HCOOH"	80.974872
"1334622"	302.986429	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Cl+NaCOOH"	102.956829
"923124"	313.015186	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M-H+CF3COOH"	112.985586
"1296552"	348.991864	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Cl+CF3COOH"	148.962264
"1375808"	165.016924	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H-2H2O"	-35.012676
"1391118"	183.0269	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H-H2O"	-17.0027
"286062"	401.066476	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+H"	1.007276
"682132"	601.096076	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+H"	1.007276
"1355199"	201.036876	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H"	1.007276
"129181"	201.036876	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+2H"	2.014552
"568013"	301.051676	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+2H"	2.014552
"1043008"	101.022076	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2H"	2.014552
"214560"	134.360342666667	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+3H"	3.021828
"652663"	201.036876	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+3H"	3.021828
"1167508"	67.6838093333333	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+3H"	3.021828
"429687"	418.093023	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+NH4"	18.033823
"790682"	618.122623	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+NH4"	18.033823
"1688108"	218.063423	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+NH4"	18.033823
"331286"	209.5501495	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+H+NH4"	19.041099
"723702"	309.5649495	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+H+NH4"	19.041099
"1478248"	109.5353495	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H+NH4"	19.041099
"393116"	423.048418	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+Na"	22.989218
"757199"	623.078018	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+Na"	22.989218
"1604568"	223.018818	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Na"	22.989218
"314515"	212.027847	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+H+Na"	23.996494
"707217"	312.042647	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+H+Na"	23.996494
"1461647"	112.013047	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H+Na"	23.996494
"1054460"	75.0111233333333	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2H+Na"	25.00377
"1258324"	233.063086	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+CH3OH+H"	33.033486
"379451"	439.022358	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+K"	38.963158
"740809"	639.051958	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+K"	38.963158
"1540025"	238.992758	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+K"	38.963158
"299675"	220.014817	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+H+K"	39.970434
"691465"	320.029617	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+H+K"	39.970434
"1446281"	120.000017	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H+K"	39.970434
"237078"	442.093026	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+ACN+H"	42.033826
"1214891"	242.063426	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+ACN+H"	42.033826
"1200597"	121.535351	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+ACN+2H"	43.041102
"190913"	445.03036	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+2Na-H"	44.97116
"631570"	645.05996	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+2Na-H"	44.97116
"1137628"	245.00076	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2Na-H"	44.97116
"177639"	223.018818	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+2Na"	45.978436
"618295"	323.033618	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+2Na"	45.978436
"1118520"	123.004018	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2Na"	45.978436
"1399973"	82.3384373333333	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H+2Na"	46.985712
"1431360"	247.042346	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H+HCOOH"	47.012746
"222390"	228.05184	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+3H2O+2H"	56.04448
"1509726"	261.09439	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+IsoProp+H"	61.06479
"409090"	231.005788	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+Na+K"	61.952376
"771136"	331.020588	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+Na+K"	61.952376
"1667833"	130.990988	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Na+K"	61.952376
"252529"	464.074968	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+ACN+Na"	64.015768
"1227063"	264.045368	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+ACN+Na"	64.015768
"1716324"	264.068893	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+NH4+HCOOH"	64.039293
"1180948"	89.6657513333333	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+3Na"	68.967654
"1655580"	269.024288	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Na+HCOOH"	68.994688
"169010"	476.97824	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+2K-H"	76.91904
"612462"	677.00784	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+2K-H"	76.91904
"1099611"	276.94864	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2K-H"	76.91904
"149901"	238.992758	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"2M+2K"	77.926316
"596022"	339.007558	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"3M+2K"	77.926316
"1082721"	138.977958	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2K"	77.926316
"1109370"	278.963192	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2K+H"	78.933592
"1349034"	279.050807	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+DMSO+H"	79.021207
"1018657"	283.089976	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2ACN+H"	83.060376
"1537877"	284.083608	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+IsoProp+Na+H"	84.054008
"1004327"	142.048626	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+2ACN+2H"	84.067652
"1601016"	284.998228	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+K+HCOOH"	84.968628
"1429717"	315.029738	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+H+CF3COOH"	115.000138
"1156964"	162.561901	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+3ACN+2H"	125.094202
"1707608"	332.056285	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+NH4+CF3COOH"	132.026685
"1643257"	337.01168	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+Na+CF3COOH"	136.98208
"1584377"	352.98562	"C21149"	"Dibenzothiophene-5-oxide"	"C12H8OS"	"200.0296"	"M+K+CF3COOH"	152.95602
"804900"	216.0245	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M"	0
"979527"	197.00611	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-H2O-H"	-19.01839
"69955"	143.009057333333	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M-3H"	-3.021828
"510609"	215.017224	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M-3H"	-3.021828
"888411"	71.0008906666667	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-3H"	-3.021828
"4798"	215.017224	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M-2H"	-2.014552
"441078"	323.029474	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M-2H"	-2.014552
"819239"	107.004974	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-2H"	-2.014552
"79836"	431.041724	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M-H"	-1.007276
"521350"	647.066224	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M-H"	-1.007276
"901708"	215.017224	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-H"	-1.007276
"48298"	448.068271	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M-2H+NH4"	16.019271
"501359"	664.092771	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M-2H+NH4"	16.019271
"875270"	232.043771	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-2H+NH4"	16.019271
"36243"	453.023666	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M-2H+Na"	20.974666
"478722"	669.048166	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M-2H+Na"	20.974666
"861633"	236.999166	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-2H+Na"	20.974666
"1629342"	236.999166	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Na-2H"	20.974666
"100402"	233.005563	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M-H+Cl"	33.962126
"539964"	341.017813	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M-H+Cl"	33.962126
"935666"	124.993313	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-H+Cl"	33.962126
"275314"	467.018402	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+Cl"	34.969402
"670655"	683.042902	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+Cl"	34.969402
"1282327"	250.993902	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Cl"	34.969402
"23791"	468.997606	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M-2H+K"	36.948606
"458975"	685.022106	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M-2H+K"	36.948606
"834589"	252.973106	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-2H+K"	36.948606
"1556131"	252.973106	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+K-2H"	36.948606
"948151"	261.022694	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-H+HCOOH"	44.998194
"363083"	477.047201	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+HCOOH-H"	44.998201
"353530"	491.062851	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+Hac-H"	59.013851
"1508298"	275.038351	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Hac-H"	59.013851
"971003"	283.004651	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-H+NaCOOH"	66.980151
"115535"	250.993902	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+2Cl"	69.938804
"552909"	359.006152	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+2Cl"	69.938804
"1027175"	142.981652	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2Cl"	69.938804
"1244568"	294.943385	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Br"	78.918885
"1318688"	296.999372	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Cl+HCOOH"	80.974872
"1334974"	318.981329	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Cl+NaCOOH"	102.956829
"923964"	329.010086	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M-H+CF3COOH"	112.985586
"1296662"	364.986764	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Cl+CF3COOH"	148.962264
"1374825"	181.011824	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H-2H2O"	-35.012676
"1392321"	199.0218	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H-H2O"	-17.0027
"296747"	433.056276	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+H"	1.007276
"686252"	649.080776	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+H"	1.007276
"1362967"	217.031776	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H"	1.007276
"133667"	217.031776	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+2H"	2.014552
"568853"	325.044026	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+2H"	2.014552
"1042025"	109.019526	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2H"	2.014552
"217587"	145.023609333333	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+3H"	3.021828
"657148"	217.031776	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+3H"	3.021828
"1176003"	73.0154426666667	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+3H"	3.021828
"428703"	450.082823	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+NH4"	18.033823
"790792"	666.107323	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+NH4"	18.033823
"1684207"	234.058323	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+NH4"	18.033823
"330059"	225.5450495	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+H+NH4"	19.041099
"724176"	333.5572995	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+H+NH4"	19.041099
"1477995"	117.5327995	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H+NH4"	19.041099
"393520"	455.038218	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+Na"	22.989218
"755854"	671.062718	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+Na"	22.989218
"1606141"	239.013718	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Na"	22.989218
"318362"	228.022747	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+H+Na"	23.996494
"707864"	336.034997	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+H+Na"	23.996494
"1463509"	120.010497	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H+Na"	23.996494
"1056757"	80.3427566666667	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2H+Na"	25.00377
"1260622"	249.057986	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+CH3OH+H"	33.033486
"382478"	471.012158	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+K"	38.963158
"741284"	687.036658	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+K"	38.963158
"1541512"	254.987658	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+K"	38.963158
"301607"	236.009717	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+H+K"	39.970434
"692567"	344.021967	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+H+K"	39.970434
"1447850"	127.997467	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H+K"	39.970434
"236823"	474.082826	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+ACN+H"	42.033826
"1212085"	258.058326	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+ACN+H"	42.033826
"1198520"	129.532801	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+ACN+2H"	43.041102
"191023"	477.02016	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+2Na-H"	44.97116
"630215"	693.04466	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+2Na-H"	44.97116
"1136645"	260.99566	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2Na-H"	44.97116
"175559"	239.013718	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+2Na"	45.978436
"616940"	347.025968	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+2Na"	45.978436
"1117897"	131.001468	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2Na"	45.978436
"1399716"	87.6700706666667	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H+2Na"	46.985712
"1430985"	263.037246	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H+HCOOH"	47.012746
"221774"	244.04674	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+3H2O+2H"	56.04448
"1508989"	277.08929	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+IsoProp+H"	61.06479
"410251"	247.000688	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+Na+K"	61.952376
"771245"	355.012938	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+Na+K"	61.952376
"1666360"	138.988438	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Na+K"	61.952376
"252637"	496.064768	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+ACN+Na"	64.015768
"1226243"	280.040268	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+ACN+Na"	64.015768
"1714246"	280.063793	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+NH4+HCOOH"	64.039293
"1183974"	94.9973846666667	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+3Na"	68.967654
"1657877"	285.019188	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Na+HCOOH"	68.994688
"168027"	508.96804	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+2K-H"	76.91904
"612334"	724.99254	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+2K-H"	76.91904
"1099680"	292.94354	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2K-H"	76.91904
"153292"	254.987658	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"2M+2K"	77.926316
"596499"	362.999908	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"3M+2K"	77.926316
"1083441"	146.975408	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2K"	77.926316
"1114462"	294.958092	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2K+H"	78.933592
"1349023"	295.045707	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+DMSO+H"	79.021207
"1017674"	299.084876	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2ACN+H"	83.060376
"1537987"	300.078508	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+IsoProp+Na+H"	84.054008
"1000060"	150.046076	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+2ACN+2H"	84.067652
"1602221"	300.993128	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+K+HCOOH"	84.968628
"1427885"	331.024638	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+H+CF3COOH"	115.000138
"1159260"	170.559351	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+3ACN+2H"	125.094202
"1708812"	348.051185	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+NH4+CF3COOH"	132.026685
"1643367"	353.00658	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+Na+CF3COOH"	136.98208
"1584487"	368.98052	"C21150"	"Dibenzothiophene-55-dioxide"	"C12H8O2S"	"216.0245"	"M+K+CF3COOH"	152.95602
"814488"	504.1356	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M"	0
"985104"	485.11721	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-H2O-H"	-19.01839
"72252"	335.083124	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M-3H"	-3.021828
"515095"	503.128324	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M-3H"	-3.021828
"891802"	167.037924	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-3H"	-3.021828
"7095"	503.128324	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M-2H"	-2.014552
"445561"	755.196124	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M-2H"	-2.014552
"818260"	251.060524	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-2H"	-2.014552
"83361"	1007.263924	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M-H"	-1.007276
"533254"	1511.399524	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M-H"	-1.007276
"904005"	503.128324	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-H"	-1.007276
"58383"	1024.290471	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M-2H+NH4"	16.019271
"499037"	1528.426071	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M-2H+NH4"	16.019271
"870278"	520.154871	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-2H+NH4"	16.019271
"41097"	1029.245866	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M-2H+Na"	20.974666
"483212"	1533.381466	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M-2H+Na"	20.974666
"857733"	525.110266	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-2H+Na"	20.974666
"1623984"	525.110266	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Na-2H"	20.974666
"107805"	521.116663	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M-H+Cl"	33.962126
"544448"	773.184463	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M-H+Cl"	33.962126
"937961"	269.048863	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-H+Cl"	33.962126
"275427"	1043.240602	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+Cl"	34.969402
"665660"	1547.376202	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+Cl"	34.969402
"1276970"	539.105002	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Cl"	34.969402
"22806"	1045.219806	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M-2H+K"	36.948606
"460179"	1549.355406	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M-2H+K"	36.948606
"836887"	541.084206	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-2H+K"	36.948606
"1559282"	541.084206	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+K-2H"	36.948606
"951540"	549.133794	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-H+HCOOH"	44.998194
"367569"	1053.269401	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+HCOOH-H"	44.998201
"361230"	1067.285051	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+Hac-H"	59.013851
"1505394"	563.149451	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Hac-H"	59.013851
"965645"	571.115751	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-H+NaCOOH"	66.980151
"117833"	539.105002	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+2Cl"	69.938804
"555206"	791.172802	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+2Cl"	69.938804
"1026190"	287.037202	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2Cl"	69.938804
"1255993"	583.054485	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Br"	78.918885
"1318438"	585.110472	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Cl+HCOOH"	80.974872
"1334839"	607.092429	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Cl+NaCOOH"	102.956829
"914598"	617.121186	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M-H+CF3COOH"	112.985586
"1296774"	653.097864	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Cl+CF3COOH"	148.962264
"1378216"	469.122924	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H-2H2O"	-35.012676
"1391338"	487.1329	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H-H2O"	-17.0027
"293212"	1009.278476	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+H"	1.007276
"685634"	1513.414076	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+H"	1.007276
"1363442"	505.142876	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H"	1.007276
"136696"	505.142876	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+2H"	2.014552
"572244"	757.210676	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+2H"	2.014552
"1043966"	253.075076	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2H"	2.014552
"208950"	337.097676	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+3H"	3.021828
"650697"	505.142876	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+3H"	3.021828
"1172102"	169.052476	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+3H"	3.021828
"428815"	1026.305023	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+NH4"	18.033823
"793090"	1530.440623	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+NH4"	18.033823
"1683588"	522.169423	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+NH4"	18.033823
"332228"	513.6561495	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+H+NH4"	19.041099
"725012"	765.7239495	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+H+NH4"	19.041099
"1481751"	261.5883495	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H+NH4"	19.041099
"395326"	1031.260418	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+Na"	22.989218
"755960"	1535.396018	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+Na"	22.989218
"1603571"	527.124818	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Na"	22.989218
"315309"	516.133847	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+H+Na"	23.996494
"707973"	768.201647	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+H+Na"	23.996494
"1462279"	264.066047	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H+Na"	23.996494
"1053460"	176.37979	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2H+Na"	25.00377
"1259639"	537.169086	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+CH3OH+H"	33.033486
"380401"	1047.234358	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+K"	38.963158
"741760"	1551.369958	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+K"	38.963158
"1541993"	543.098758	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+K"	38.963158
"302082"	524.120817	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+H+K"	39.970434
"695235"	776.188617	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+H+K"	39.970434
"1446257"	272.053017	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H+K"	39.970434
"237298"	1050.305026	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+ACN+H"	42.033826
"1214746"	546.169426	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+ACN+H"	42.033826
"1199723"	273.588351	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+ACN+2H"	43.041102
"192958"	1053.24236	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+2Na-H"	44.97116
"637623"	1557.37796	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+2Na-H"	44.97116
"1136756"	549.10676	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2Na-H"	44.97116
"175671"	527.124818	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+2Na"	45.978436
"615234"	779.192618	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+2Na"	45.978436
"1117640"	275.057018	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2Na"	45.978436
"1399947"	183.707104	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H+2Na"	46.985712
"1433288"	551.148346	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H+HCOOH"	47.012746
"221889"	532.15784	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+3H2O+2H"	56.04448
"1509582"	565.20039	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+IsoProp+H"	61.06479
"408948"	535.111788	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+Na+K"	61.952376
"770752"	787.179588	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+Na+K"	61.952376
"1666962"	283.043988	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Na+K"	61.952376
"252030"	1072.286968	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+ACN+Na"	64.015768
"1226564"	568.151368	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+ACN+Na"	64.015768
"1721648"	568.174893	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+NH4+HCOOH"	64.039293
"1190285"	191.034418	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+3Na"	68.967654
"1663835"	573.130288	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Na+HCOOH"	68.994688
"168139"	1085.19024	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+2K-H"	76.91904
"610984"	1589.32584	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+2K-H"	76.91904
"1097681"	581.05464	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2K-H"	76.91904
"153402"	543.098758	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"2M+2K"	77.926316
"596490"	795.166558	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"3M+2K"	77.926316
"1082945"	291.030958	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2K"	77.926316
"1114937"	583.069192	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2K+H"	78.933592
"1350962"	583.156807	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+DMSO+H"	79.021207
"1020990"	587.195976	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2ACN+H"	83.060376
"1539435"	588.189608	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+IsoProp+Na+H"	84.054008
"1004793"	294.101626	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+2ACN+2H"	84.067652
"1597960"	589.104228	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+K+HCOOH"	84.968628
"1427993"	619.135738	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+H+CF3COOH"	115.000138
"1160465"	314.614901	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+3ACN+2H"	125.094202
"1708922"	636.162285	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+NH4+CF3COOH"	132.026685
"1645668"	641.11768	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+Na+CF3COOH"	136.98208
"1581317"	657.09162	"C21152"	"NN-Diacetylchitobiose 6-phosphate"	"C16H29N2O14P"	"504.1356"	"M+K+CF3COOH"	152.95602
"805121"	1658.6247	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M"	0
"976466"	1639.60631	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-H2O-H"	-19.01839
"67988"	1104.742524	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M-3H"	-3.021828
"513017"	1657.617424	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M-3H"	-3.021828
"889725"	551.867624	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-3H"	-3.021828
"2338"	1657.617424	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M-2H"	-2.014552
"441658"	2486.929774	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M-2H"	-2.014552
"818731"	828.305074	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-2H"	-2.014552
"84564"	3316.242124	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M-H"	-1.007276
"531783"	4974.866824	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M-H"	-1.007276
"904115"	1657.617424	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-H"	-1.007276
"58493"	3333.268671	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M-2H+NH4"	16.019271
"499147"	4991.893371	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M-2H+NH4"	16.019271
"873667"	1674.643971	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-2H+NH4"	16.019271
"46068"	3338.224066	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M-2H+Na"	20.974666
"482229"	4996.848766	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M-2H+Na"	20.974666
"857843"	1679.599366	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-2H+Na"	20.974666
"1626280"	1679.599366	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Na-2H"	20.974666
"109131"	1675.605763	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M-H+Cl"	33.962126
"544558"	2504.918113	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M-H+Cl"	33.962126
"938071"	846.293413	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-H+Cl"	33.962126
"275537"	3352.218802	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+Cl"	34.969402
"666863"	5010.843502	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+Cl"	34.969402
"1279266"	1693.594102	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Cl"	34.969402
"25102"	3354.198006	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M-2H+K"	36.948606
"462475"	5012.822706	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M-2H+K"	36.948606
"838090"	1695.573306	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-2H+K"	36.948606
"1559392"	1695.573306	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+K-2H"	36.948606
"953836"	1703.622894	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-H+HCOOH"	44.998194
"370958"	3362.247601	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+HCOOH-H"	44.998201
"361177"	3376.263251	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+Hac-H"	59.013851
"1505868"	1717.638551	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Hac-H"	59.013851
"967941"	1725.604851	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-H+NaCOOH"	66.980151
"116850"	1693.594102	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+2Cl"	69.938804
"555315"	2522.906452	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+2Cl"	69.938804
"1024477"	864.281752	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2Cl"	69.938804
"1254635"	1737.543585	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Br"	78.918885
"1319232"	1739.599572	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Cl+HCOOH"	80.974872
"1329843"	1761.581529	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Cl+NaCOOH"	102.956829
"921268"	1771.610286	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M-H+CF3COOH"	112.985586
"1292511"	1807.586964	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Cl+CF3COOH"	148.962264
"1376139"	1623.612024	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H-2H2O"	-35.012676
"1389261"	1641.622	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H-H2O"	-17.0027
"291135"	3318.256676	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+H"	1.007276
"683556"	4976.881376	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+H"	1.007276
"1355894"	1659.631976	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H"	1.007276
"138263"	1659.631976	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+2H"	2.014552
"572354"	2488.944326	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+2H"	2.014552
"1044439"	830.319626	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2H"	2.014552
"212339"	1106.757076	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+3H"	3.021828
"649714"	1659.631976	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+3H"	3.021828
"1166744"	553.882176	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+3H"	3.021828
"426734"	3335.283223	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+NH4"	18.033823
"791010"	4993.907923	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+NH4"	18.033823
"1683335"	1676.658523	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+NH4"	18.033823
"332338"	1668.1452495	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+H+NH4"	19.041099
"725487"	2497.4575995	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+H+NH4"	19.041099
"1480765"	838.8328995	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H+NH4"	19.041099
"394709"	3340.238618	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+Na"	22.989218
"756070"	4998.863318	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+Na"	22.989218
"1603557"	1681.613918	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Na"	22.989218
"314688"	1670.622947	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+H+Na"	23.996494
"707963"	2499.935297	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+H+Na"	23.996494
"1465919"	841.310597	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H+Na"	23.996494
"1055884"	561.20949	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2H+Na"	25.00377
"1259749"	1691.658186	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+CH3OH+H"	33.033486
"382699"	3356.212558	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+K"	38.963158
"743693"	5014.837258	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+K"	38.963158
"1544290"	1697.587858	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+K"	38.963158
"300734"	1678.609917	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+H+K"	39.970434
"694980"	2507.922267	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+H+K"	39.970434
"1447347"	849.297567	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H+K"	39.970434
"243241"	3359.283226	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+ACN+H"	42.033826
"1214856"	1700.658526	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+ACN+H"	42.033826
"1199833"	850.832901	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+ACN+2H"	43.041102
"193068"	3362.22056	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+2Na-H"	44.97116
"637733"	5020.84526	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+2Na-H"	44.97116
"1140146"	1703.59586	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2Na-H"	44.97116
"175052"	1681.613918	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+2Na"	45.978436
"617531"	2510.926268	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+2Na"	45.978436
"1118842"	852.301568	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2Na"	45.978436
"1400908"	568.536804	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H+2Na"	46.985712
"1436677"	1705.637446	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H+HCOOH"	47.012746
"223090"	1686.64694	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+3H2O+2H"	56.04448
"1510423"	1719.68949	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+IsoProp+H"	61.06479
"412298"	1689.600888	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+Na+K"	61.952376
"771464"	2518.913238	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+Na+K"	61.952376
"1666709"	860.288538	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Na+K"	61.952376
"254691"	3381.265168	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+ACN+Na"	64.015768
"1229586"	1722.640468	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+ACN+Na"	64.015768
"1722851"	1722.663993	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+NH4+HCOOH"	64.039293
"1189300"	575.864118	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+3Na"	68.967654
"1664669"	1727.619388	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Na+HCOOH"	68.994688
"169343"	3394.16844	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+2K-H"	76.91904
"610366"	5052.79314	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+2K-H"	76.91904
"1096697"	1735.54374	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2K-H"	76.91904
"153512"	1697.587858	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"2M+2K"	77.926316
"595995"	2526.900208	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"3M+2K"	77.926316
"1082939"	868.275508	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2K"	77.926316
"1114074"	1737.558292	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2K+H"	78.933592
"1350097"	1737.645907	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+DMSO+H"	79.021207
"1020329"	1741.685076	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2ACN+H"	83.060376
"1537843"	1742.678708	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+IsoProp+Na+H"	84.054008
"1004417"	871.346176	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+2ACN+2H"	84.067652
"1599163"	1743.593328	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+K+HCOOH"	84.968628
"1428103"	1773.624838	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+H+CF3COOH"	115.000138
"1159482"	891.859451	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+3ACN+2H"	125.094202
"1709032"	1790.651385	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+NH4+CF3COOH"	132.026685
"1645778"	1795.60678	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+Na+CF3COOH"	136.98208
"1581427"	1811.58072	"C21153"	"Adenosylcobalamin 5-phosphate"	"C72H101CoN18O20P2"	"1658.6247"	"M+K+CF3COOH"	152.95602
"805231"	160.1	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M"	0
"976576"	141.08161	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-H2O-H"	-19.01839
"67005"	105.726057333333	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M-3H"	-3.021828
"512034"	159.092724	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M-3H"	-3.021828
"889835"	52.3593906666667	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-3H"	-3.021828
"874"	159.092724	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M-2H"	-2.014552
"440352"	239.142724	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M-2H"	-2.014552
"817218"	79.042724	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-2H"	-2.014552
"83581"	319.192724	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M-H"	-1.007276
"531893"	479.292724	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M-H"	-1.007276
"903132"	159.092724	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-H"	-1.007276
"58603"	336.219271	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M-2H+NH4"	16.019271
"499257"	496.319271	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M-2H+NH4"	16.019271
"871591"	176.119271	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-2H+NH4"	16.019271
"44597"	341.174666	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M-2H+Na"	20.974666
"485986"	501.274666	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M-2H+Na"	20.974666
"862326"	181.074666	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-2H+Na"	20.974666
"1625297"	181.074666	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Na-2H"	20.974666
"102918"	177.081063	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M-H+Cl"	33.962126
"544668"	257.131063	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M-H+Cl"	33.962126
"937087"	97.031063	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-H+Cl"	33.962126
"272367"	355.169402	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+Cl"	34.969402
"666972"	515.269402	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+Cl"	34.969402
"1278283"	195.069402	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Cl"	34.969402
"23025"	357.148606	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M-2H+K"	36.948606
"460399"	517.248606	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M-2H+K"	36.948606
"838200"	197.048606	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-2H+K"	36.948606
"1556706"	197.048606	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+K-2H"	36.948606
"951759"	205.098194	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-H+HCOOH"	44.998194
"371068"	365.198201	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+HCOOH-H"	44.998201
"360915"	379.213851	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+Hac-H"	59.013851
"1507680"	219.113851	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Hac-H"	59.013851
"965865"	227.080151	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-H+NaCOOH"	66.980151
"116959"	195.069402	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+2Cl"	69.938804
"553604"	275.119402	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+2Cl"	69.938804
"1026410"	115.019402	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2Cl"	69.938804
"1255841"	239.018885	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Br"	78.918885
"1319020"	241.074872	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Cl+HCOOH"	80.974872
"1329953"	263.056829	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Cl+NaCOOH"	102.956829
"921378"	273.085586	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M-H+CF3COOH"	112.985586
"1292255"	309.062264	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Cl+CF3COOH"	148.962264
"1375156"	125.087324	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H-2H2O"	-35.012676
"1390464"	143.0973	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H-H2O"	-17.0027
"289058"	321.207276	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+H"	1.007276
"683666"	481.307276	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+H"	1.007276
"1354182"	161.107276	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H"	1.007276
"138009"	161.107276	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+2H"	2.014552
"577570"	241.157276	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+2H"	2.014552
"1045643"	81.057276	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2H"	2.014552
"209169"	107.740609333333	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+3H"	3.021828
"652010"	161.107276	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+3H"	3.021828
"1163938"	54.3739426666667	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+3H"	3.021828
"426114"	338.233823	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+NH4"	18.033823
"788204"	498.333823	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+NH4"	18.033823
"1683445"	178.133823	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+NH4"	18.033823
"332814"	169.6205495	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+H+NH4"	19.041099
"724140"	249.6705495	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+H+NH4"	19.041099
"1481967"	89.5705495	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H+NH4"	19.041099
"394454"	343.189218	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+Na"	22.989218
"755815"	503.289218	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+Na"	22.989218
"1603670"	183.089218	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Na"	22.989218
"314796"	172.098247	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+H+Na"	23.996494
"707828"	252.148247	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+H+Na"	23.996494
"1466029"	92.048247	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H+Na"	23.996494
"1055265"	61.7012566666667	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2H+Na"	25.00377
"1258158"	193.133486	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+CH3OH+H"	33.033486
"380258"	359.163158	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+K"	38.963158
"741253"	519.263158	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+K"	38.963158
"1541484"	199.063158	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+K"	38.963158
"300481"	180.085217	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+H+K"	39.970434
"694361"	260.135217	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+H+K"	39.970434
"1446482"	100.035217	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H+K"	39.970434
"236425"	362.233826	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+ACN+H"	42.033826
"1213873"	202.133826	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+ACN+H"	42.033826
"1198850"	101.570551	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+ACN+2H"	43.041102
"195001"	365.17116	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+2Na-H"	44.97116
"635656"	525.27116	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+2Na-H"	44.97116
"1140256"	205.07116	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2Na-H"	44.97116
"175162"	183.089218	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+2Na"	45.978436
"614355"	263.139218	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+2Na"	45.978436
"1116893"	103.039218	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2Na"	45.978436
"1402483"	69.0285706666667	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H+2Na"	46.985712
"1434599"	207.112746	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H+HCOOH"	47.012746
"222106"	188.12224	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+3H2O+2H"	56.04448
"1509071"	221.16479	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+IsoProp+H"	61.06479
"409851"	191.076188	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+Na+K"	61.952376
"770845"	271.126188	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+Na+K"	61.952376
"1666819"	111.026188	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Na+K"	61.952376
"255163"	384.215768	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+ACN+Na"	64.015768
"1231153"	224.115768	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+ACN+Na"	64.015768
"1713512"	224.139293	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+NH4+HCOOH"	64.039293
"1181384"	76.3558846666667	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+3Na"	68.967654
"1664779"	229.094688	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Na+HCOOH"	68.994688
"169453"	397.11904	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+2K-H"	76.91904
"610840"	557.21904	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+2K-H"	76.91904
"1098149"	237.01904	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2K-H"	76.91904
"155695"	199.063158	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"2M+2K"	77.926316
"595618"	279.113158	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"3M+2K"	77.926316
"1082073"	119.013158	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2K"	77.926316
"1114795"	239.033592	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2K+H"	78.933592
"1349968"	239.121207	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+DMSO+H"	79.021207
"1019349"	243.160376	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2ACN+H"	83.060376
"1537959"	244.154008	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+IsoProp+Na+H"	84.054008
"1004527"	122.083826	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+2ACN+2H"	84.067652
"1600734"	245.068628	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+K+HCOOH"	84.968628
"1426029"	275.100138	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+H+CF3COOH"	115.000138
"1161780"	142.597101	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+3ACN+2H"	125.094202
"1710235"	292.126685	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+NH4+CF3COOH"	132.026685
"1646981"	297.08208	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+Na+CF3COOH"	136.98208
"1581537"	313.05602	"C21154"	"N-Methylmyosmine;3-(45-Dihydro-1-methyl-1H-pyrrol-2-yl)pyridine"	"C10H12N2"	"160.1"	"M+K+CF3COOH"	152.95602
"805341"	165.0426	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M"	0
"978873"	146.02421	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-H2O-H"	-19.01839
"67115"	109.021124	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M-3H"	-3.021828
"506676"	164.035324	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M-3H"	-3.021828
"888851"	54.006924	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-3H"	-3.021828
"5237"	164.035324	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M-2H"	-2.014552
"441392"	246.556624	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M-2H"	-2.014552
"818223"	81.514024	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-2H"	-2.014552
"82598"	329.077924	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M-H"	-1.007276
"522160"	494.120524	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M-H"	-1.007276
"897772"	164.035324	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-H"	-1.007276
"58713"	346.104471	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M-2H+NH4"	16.019271
"499367"	511.147071	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M-2H+NH4"	16.019271
"870608"	181.061871	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-2H+NH4"	16.019271
"42885"	351.059866	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M-2H+Na"	20.974666
"485730"	516.102466	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M-2H+Na"	20.974666
"861343"	186.017266	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-2H+Na"	20.974666
"1625407"	186.017266	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Na-2H"	20.974666
"99748"	182.023663	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M-H+Cl"	33.962126
"544778"	264.544963	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M-H+Cl"	33.962126
"935010"	99.502363	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-H+Cl"	33.962126
"272477"	365.054602	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+Cl"	34.969402
"664896"	530.097202	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+Cl"	34.969402
"1276207"	200.012002	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Cl"	34.969402
"22042"	367.033806	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M-2H+K"	36.948606
"459416"	532.076406	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M-2H+K"	36.948606
"837217"	201.991206	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-2H+K"	36.948606
"1556327"	201.991206	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+K-2H"	36.948606
"944215"	210.040794	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-H+HCOOH"	44.998194
"367898"	375.083401	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+HCOOH-H"	44.998201
"360785"	389.099051	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+Hac-H"	59.013851
"1507062"	224.056451	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Hac-H"	59.013851
"965976"	232.022751	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-H+NaCOOH"	66.980151
"115977"	200.012002	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+2Cl"	69.938804
"556632"	282.533302	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+2Cl"	69.938804
"1024335"	117.490702	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2Cl"	69.938804
"1255222"	243.961485	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Br"	78.918885
"1318399"	246.017472	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Cl+HCOOH"	80.974872
"1330427"	267.999429	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Cl+NaCOOH"	102.956829
"922582"	278.028186	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M-H+CF3COOH"	112.985586
"1296012"	314.004864	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Cl+CF3COOH"	148.962264
"1376360"	130.029924	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H-2H2O"	-35.012676
"1389481"	148.0399	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H-H2O"	-17.0027
"292085"	331.092476	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+H"	1.007276
"683776"	496.135076	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+H"	1.007276
"1353563"	166.049876	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H"	1.007276
"137390"	166.049876	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+2H"	2.014552
"577680"	248.571176	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+2H"	2.014552
"1044660"	83.528576	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2H"	2.014552
"208186"	111.035676	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+3H"	3.021828
"652120"	166.049876	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+3H"	3.021828
"1163684"	56.021476	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+3H"	3.021828
"426224"	348.119023	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+NH4"	18.033823
"787950"	513.161623	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+NH4"	18.033823
"1682463"	183.076423	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+NH4"	18.033823
"331467"	174.5631495	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+H+NH4"	19.041099
"723522"	257.0844495	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+H+NH4"	19.041099
"1477825"	92.0418495	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H+NH4"	19.041099
"394325"	353.074418	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+Na"	22.989218
"755930"	518.117018	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+Na"	22.989218
"1602886"	188.031818	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Na"	22.989218
"314542"	177.040847	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+H+Na"	23.996494
"709766"	259.562147	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+H+Na"	23.996494
"1463953"	94.519547	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H+Na"	23.996494
"1055375"	63.34879	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2H+Na"	25.00377
"1258026"	198.076086	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+CH3OH+H"	33.033486
"380734"	369.048358	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+K"	38.963158
"743915"	534.090958	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+K"	38.963158
"1541960"	204.005758	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+K"	38.963158
"299860"	185.027817	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+H+K"	39.970434
"693378"	267.549117	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+H+K"	39.970434
"1446109"	102.506517	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H+K"	39.970434
"243461"	372.119026	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+ACN+H"	42.033826
"1213983"	207.076426	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+ACN+H"	42.033826
"1196773"	104.041851	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+ACN+2H"	43.041102
"194018"	375.05636	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+2Na-H"	44.97116
"633579"	540.09896	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+2Na-H"	44.97116
"1133805"	210.01376	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2Na-H"	44.97116
"173445"	188.031818	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+2Na"	45.978436
"615560"	270.553118	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+2Na"	45.978436
"1115901"	105.510518	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2Na"	45.978436
"1399189"	70.676104	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H+2Na"	46.985712
"1430697"	212.055346	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H+HCOOH"	47.012746
"220013"	193.06484	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+3H2O+2H"	56.04448
"1508454"	226.10739	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+IsoProp+H"	61.06479
"408565"	196.018788	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+Na+K"	61.952376
"770334"	278.540088	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+Na+K"	61.952376
"1665739"	113.497488	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Na+K"	61.952376
"253085"	394.100968	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+ACN+Na"	64.015768
"1230170"	229.058368	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+ACN+Na"	64.015768
"1713588"	229.081893	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+NH4+HCOOH"	64.039293
"1181493"	78.003418	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+3Na"	68.967654
"1664406"	234.037288	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Na+HCOOH"	68.994688
"165188"	407.00424	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+2K-H"	76.91904
"610951"	572.04684	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+2K-H"	76.91904
"1098379"	241.96164	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2K-H"	76.91904
"156288"	204.005758	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"2M+2K"	77.926316
"595002"	286.527058	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"3M+2K"	77.926316
"1081824"	121.484458	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2K"	77.926316
"1114178"	243.976192	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2K+H"	78.933592
"1349712"	244.063807	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+DMSO+H"	79.021207
"1017757"	248.102976	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2ACN+H"	83.060376
"1539524"	249.096608	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+IsoProp+Na+H"	84.054008
"1002697"	124.555126	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+2ACN+2H"	84.067652
"1600480"	250.011228	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+K+HCOOH"	84.968628
"1426869"	280.042738	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+H+CF3COOH"	115.000138
"1161890"	145.068401	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+3ACN+2H"	125.094202
"1709252"	297.069285	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+NH4+CF3COOH"	132.026685
"1647091"	302.02468	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+Na+CF3COOH"	136.98208
"1581647"	317.99862	"C21155"	"Isatinate"	"C8H7NO3"	"165.0426"	"M+K+CF3COOH"	152.95602
"805451"	725.2143	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M"	0
"978983"	706.19591	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-H2O-H"	-19.01839
"66130"	482.468924	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M-3H"	-3.021828
"511159"	724.207024	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M-3H"	-3.021828
"887867"	240.730824	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-3H"	-3.021828
"2062"	724.207024	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M-2H"	-2.014552
"441014"	1086.814174	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M-2H"	-2.014552
"819425"	361.599874	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-2H"	-2.014552
"82708"	1449.421324	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M-H"	-1.007276
"520084"	2174.635624	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M-H"	-1.007276
"898611"	724.207024	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-H"	-1.007276
"55542"	1466.447871	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M-2H+NH4"	16.019271
"499477"	2191.662171	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M-2H+NH4"	16.019271
"871811"	741.233571	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-2H+NH4"	16.019271
"41900"	1471.403266	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M-2H+Na"	20.974666
"484746"	2196.617566	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M-2H+Na"	20.974666
"860360"	746.188966	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-2H+Na"	20.974666
"1625517"	746.188966	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Na-2H"	20.974666
"99858"	742.195363	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M-H+Cl"	33.962126
"538325"	1104.802513	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M-H+Cl"	33.962126
"935120"	379.588213	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-H+Cl"	33.962126
"270400"	1485.398002	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+Cl"	34.969402
"663913"	2210.612302	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+Cl"	34.969402
"1276317"	760.183702	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Cl"	34.969402
"18872"	1487.377206	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M-2H+K"	36.948606
"459526"	2212.591506	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M-2H+K"	36.948606
"833437"	762.162906	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-2H+K"	36.948606
"1555661"	762.162906	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+K-2H"	36.948606
"943473"	770.212494	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-H+HCOOH"	44.998194
"366915"	1495.426801	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+HCOOH-H"	44.998201
"360535"	1509.442451	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+Hac-H"	59.013851
"1507541"	784.228151	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Hac-H"	59.013851
"968272"	792.194451	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-H+NaCOOH"	66.980151
"117180"	760.183702	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+2Cl"	69.938804
"558928"	1122.790852	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+2Cl"	69.938804
"1025539"	397.576552	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2Cl"	69.938804
"1255696"	804.133185	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Br"	78.918885
"1315226"	806.189172	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Cl+HCOOH"	80.974872
"1330537"	828.171129	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Cl+NaCOOH"	102.956829
"921599"	838.199886	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M-H+CF3COOH"	112.985586
"1301956"	874.176564	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Cl+CF3COOH"	148.962264
"1377928"	690.201624	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H-2H2O"	-35.012676
"1391779"	708.2116	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H-H2O"	-17.0027
"291467"	1451.435876	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+H"	1.007276
"684981"	2176.650176	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+H"	1.007276
"1353309"	726.221576	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H"	1.007276
"132030"	726.221576	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+2H"	2.014552
"573779"	1088.828726	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+2H"	2.014552
"1047320"	363.614426	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2H"	2.014552
"212670"	484.483476	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+3H"	3.021828
"653324"	726.221576	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+3H"	3.021828
"1167074"	242.745376	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+3H"	3.021828
"424512"	1468.462423	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+NH4"	18.033823
"785993"	2193.676723	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+NH4"	18.033823
"1684401"	743.248123	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+NH4"	18.033823
"331581"	734.7348495	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+H+NH4"	19.041099
"722844"	1097.3419995	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+H+NH4"	19.041099
"1477034"	372.1276995	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H+NH4"	19.041099
"397597"	1473.417818	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+Na"	22.989218
"755674"	2198.632118	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+Na"	22.989218
"1603895"	748.203518	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Na"	22.989218
"314397"	737.212547	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+H+Na"	23.996494
"707086"	1099.819697	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+H+Na"	23.996494
"1464060"	374.605397	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H+Na"	23.996494
"1055123"	250.07269	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2H+Na"	25.00377
"1258015"	758.247786	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+CH3OH+H"	33.033486
"380843"	1489.391758	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+K"	38.963158
"740014"	2214.606058	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+K"	38.963158
"1542431"	764.177458	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+K"	38.963158
"298912"	745.199517	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+H+K"	39.970434
"691572"	1107.806667	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+H+K"	39.970434
"1446586"	382.592367	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H+K"	39.970434
"243571"	1492.462426	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+ACN+H"	42.033826
"1214093"	767.248126	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+ACN+H"	42.033826
"1196152"	384.127701	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+ACN+2H"	43.041102
"191941"	1495.39976	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+2Na-H"	44.97116
"633689"	2220.61406	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+2Na-H"	44.97116
"1134279"	770.18546	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2Na-H"	44.97116
"173676"	748.203518	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+2Na"	45.978436
"615302"	1110.810668	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+2Na"	45.978436
"1115807"	385.596368	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2Na"	45.978436
"1399174"	257.400004	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H+2Na"	46.985712
"1430152"	772.227046	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H+HCOOH"	47.012746
"220655"	753.23654	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+3H2O+2H"	56.04448
"1508924"	786.27909	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+IsoProp+H"	61.06479
"408974"	756.190488	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+Na+K"	61.952376
"770120"	1118.797638	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+Na+K"	61.952376
"1665762"	393.583338	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Na+K"	61.952376
"251689"	1514.444368	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+ACN+Na"	64.015768
"1229186"	789.230068	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+ACN+Na"	64.015768
"1712969"	789.253593	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+NH4+HCOOH"	64.039293
"1181603"	264.727318	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+3Na"	68.967654
"1665486"	794.208988	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Na+HCOOH"	68.994688
"172593"	1527.34764	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+2K-H"	76.91904
"611789"	2252.56194	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+2K-H"	76.91904
"1099759"	802.13334	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2K-H"	76.91904
"156643"	764.177458	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"2M+2K"	77.926316
"596893"	1126.784608	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"3M+2K"	77.926316
"1082418"	401.570308	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2K"	77.926316
"1113682"	804.147892	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2K+H"	78.933592
"1348609"	804.235507	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+DMSO+H"	79.021207
"1019324"	808.274676	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2ACN+H"	83.060376
"1539837"	809.268308	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+IsoProp+Na+H"	84.054008
"1002442"	404.640976	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+2ACN+2H"	84.067652
"1600591"	810.182928	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+K+HCOOH"	84.968628
"1428437"	840.214438	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+H+CF3COOH"	115.000138
"1162650"	425.154251	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+3ACN+2H"	125.094202
"1709362"	857.240985	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+NH4+CF3COOH"	132.026685
"1647201"	862.19638	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+Na+CF3COOH"	136.98208
"1581757"	878.17032	"C21156"	"Acarbose 7IV-phosphate;Acarbose 7-phosphate"	"C25H44NO21P"	"725.2143"	"M+K+CF3COOH"	152.95602
"808841"	2317.3023	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M"	0
"979093"	2298.28391	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-H2O-H"	-19.01839
"71706"	1543.860924	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M-3H"	-3.021828
"512362"	2316.295024	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M-3H"	-3.021828
"889071"	771.426824	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-3H"	-3.021828
"8737"	2316.295024	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M-2H"	-2.014552
"442100"	3474.946174	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M-2H"	-2.014552
"822820"	1157.643874	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-2H"	-2.014552
"80990"	4633.597324	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M-H"	-1.007276
"520678"	6950.899624	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M-H"	-1.007276
"899450"	2316.295024	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-H"	-1.007276
"56745"	4650.623871	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M-2H+NH4"	16.019271
"496307"	6967.926171	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M-2H+NH4"	16.019271
"868638"	2333.321571	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-2H+NH4"	16.019271
"35811"	4655.579266	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M-2H+Na"	20.974666
"481573"	6972.881566	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M-2H+Na"	20.974666
"851720"	2338.276966	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-2H+Na"	20.974666
"1619793"	2338.276966	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Na-2H"	20.974666
"99968"	2334.283363	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M-H+Cl"	33.962126
"538435"	3492.934513	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M-H+Cl"	33.962126
"931949"	1175.632213	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-H+Cl"	33.962126
"271604"	4669.574002	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+Cl"	34.969402
"668400"	6986.876302	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+Cl"	34.969402
"1276428"	2352.271702	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Cl"	34.969402
"16918"	4671.553206	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M-2H+K"	36.948606
"460731"	6988.855506	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M-2H+K"	36.948606
"836345"	2354.250906	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-2H+K"	36.948606
"1555940"	2354.250906	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+K-2H"	36.948606
"943461"	2362.300494	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-H+HCOOH"	44.998194
"364839"	4679.602801	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+HCOOH-H"	44.998201
"360401"	4693.618451	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+Hac-H"	59.013851
"1506316"	2376.316151	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Hac-H"	59.013851
"967288"	2384.282451	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-H+NaCOOH"	66.980151
"122756"	2352.271702	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+2Cl"	69.938804
"559038"	3510.922852	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+2Cl"	69.938804
"1026741"	1193.620552	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2Cl"	69.938804
"1254714"	2396.221185	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Br"	78.918885
"1315336"	2398.277172	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Cl+HCOOH"	80.974872
"1329555"	2420.259129	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Cl+NaCOOH"	102.956829
"920611"	2430.287886	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M-H+CF3COOH"	112.985586
"1298419"	2466.264564	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Cl+CF3COOH"	148.962264
"1378402"	2282.289624	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H-2H2O"	-35.012676
"1389702"	2300.2996	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H-H2O"	-17.0027
"292306"	4635.611876	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+H"	1.007276
"685456"	6952.914176	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+H"	1.007276
"1354148"	2318.309576	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H"	1.007276
"132140"	2318.309576	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+2H"	2.014552
"573889"	3476.960726	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+2H"	2.014552
"1043783"	1159.658426	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2H"	2.014552
"210592"	1545.875476	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+3H"	3.021828
"653434"	2318.309576	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+3H"	3.021828
"1167184"	773.441376	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+3H"	3.021828
"425471"	4652.638423	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+NH4"	18.033823
"786264"	6969.940723	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+NH4"	18.033823
"1691072"	2335.336123	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+NH4"	18.033823
"334971"	2326.8228495	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+H+NH4"	19.041099
"723540"	3485.4739995	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+H+NH4"	19.041099
"1478051"	1168.1716995	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H+NH4"	19.041099
"396614"	4657.593818	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+Na"	22.989218
"754934"	6974.896118	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+Na"	22.989218
"1604734"	2340.291518	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Na"	22.989218
"314561"	2329.300547	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+H+Na"	23.996494
"707343"	3487.951697	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+H+Na"	23.996494
"1463442"	1170.649397	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H+Na"	23.996494
"1055232"	780.76869	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2H+Na"	25.00377
"1261284"	2350.335786	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+CH3OH+H"	33.033486
"380222"	4673.567758	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+K"	38.963158
"741946"	6990.870058	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+K"	38.963158
"1541809"	2356.265458	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+K"	38.963158
"299346"	2337.287517	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+H+K"	39.970434
"691889"	3495.938667	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+H+K"	39.970434
"1447424"	1178.636367	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H+K"	39.970434
"243681"	4676.638426	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+ACN+H"	42.033826
"1214203"	2359.336126	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+ACN+H"	42.033826
"1196626"	1180.171701	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+ACN+2H"	43.041102
"192779"	4679.57576	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+2Na-H"	44.97116
"633799"	6996.87806	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+2Na-H"	44.97116
"1134389"	2362.27346	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2Na-H"	44.97116
"173660"	2340.291518	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+2Na"	45.978436
"613585"	3498.942668	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+2Na"	45.978436
"1116483"	1181.640368	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2Na"	45.978436
"1398959"	788.096004	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H+2Na"	46.985712
"1430675"	2364.315046	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H+HCOOH"	47.012746
"220327"	2345.32454	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+3H2O+2H"	56.04448
"1509397"	2378.36709	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+IsoProp+H"	61.06479
"409120"	2348.278488	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+Na+K"	61.952376
"770481"	3506.929638	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+Na+K"	61.952376
"1666082"	1189.627338	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Na+K"	61.952376
"251917"	4698.620368	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+ACN+Na"	64.015768
"1226743"	2381.318068	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+ACN+Na"	64.015768
"1715995"	2381.341593	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+NH4+HCOOH"	64.039293
"1181713"	795.423318	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+3Na"	68.967654
"1663646"	2386.296988	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Na+HCOOH"	68.994688
"168689"	4711.52364	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+2K-H"	76.91904
"611534"	7028.82594	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+2K-H"	76.91904
"1098599"	2394.22134	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2K-H"	76.91904
"155051"	2356.265458	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"2M+2K"	77.926316
"595099"	3514.916608	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"3M+2K"	77.926316
"1083254"	1197.614308	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2K"	77.926316
"1112822"	2396.235892	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2K+H"	78.933592
"1350055"	2396.323507	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+DMSO+H"	79.021207
"1020399"	2400.362676	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2ACN+H"	83.060376
"1539256"	2401.356308	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+IsoProp+Na+H"	84.054008
"1005061"	1200.684976	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+2ACN+2H"	84.067652
"1601787"	2402.270928	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+K+HCOOH"	84.968628
"1427089"	2432.302438	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+H+CF3COOH"	115.000138
"1162354"	1221.198251	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+3ACN+2H"	125.094202
"1707285"	2449.328985	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+NH4+CF3COOH"	132.026685
"1647311"	2454.28438	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+Na+CF3COOH"	136.98208
"1581867"	2470.25832	"C21157"	"KDO2-lipid A 1-diphosphate;alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A 1-diphosphate"	"C110H203N2O42P3"	"2317.3023"	"M+K+CF3COOH"	152.95602
"811140"	198.0277	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M"	0
"981390"	179.00931	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-H2O-H"	-19.01839
"70725"	131.011190666667	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M-3H"	-3.021828
"514660"	197.020424	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M-3H"	-3.021828
"888087"	65.0019573333333	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-3H"	-3.021828
"2291"	197.020424	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M-2H"	-2.014552
"442943"	296.034274	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M-2H"	-2.014552
"826220"	98.006574	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-2H"	-2.014552
"82929"	395.048124	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M-H"	-1.007276
"525772"	593.075824	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M-H"	-1.007276
"901388"	197.020424	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-H"	-1.007276
"52483"	412.074671	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M-2H+NH4"	16.019271
"499698"	610.102371	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M-2H+NH4"	16.019271
"874219"	214.046971	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-2H+NH4"	16.019271
"42122"	417.030066	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M-2H+Na"	20.974666
"483874"	615.057766	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M-2H+Na"	20.974666
"862042"	219.002366	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-2H+Na"	20.974666
"1630113"	219.002366	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Na-2H"	20.974666
"100079"	215.008763	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M-H+Cl"	33.962126
"544013"	314.022613	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M-H+Cl"	33.962126
"932062"	115.994913	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-H+Cl"	33.962126
"267945"	431.024802	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+Cl"	34.969402
"663041"	629.052502	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+Cl"	34.969402
"1274348"	232.997102	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Cl"	34.969402
"17391"	433.004006	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M-2H+K"	36.948606
"458653"	631.031706	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M-2H+K"	36.948606
"841926"	234.976306	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-2H+K"	36.948606
"1562133"	234.976306	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+K-2H"	36.948606
"953297"	243.025894	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-H+HCOOH"	44.998194
"375170"	441.053601	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+HCOOH-H"	44.998201
"358682"	455.069251	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+Hac-H"	59.013851
"1506784"	257.041551	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Hac-H"	59.013851
"970680"	265.007851	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-H+NaCOOH"	66.980151
"118494"	232.997102	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+2Cl"	69.938804
"558055"	332.010952	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+2Cl"	69.938804
"1036714"	133.983252	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2Cl"	69.938804
"1256531"	276.946585	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Br"	78.918885
"1318366"	279.002572	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Cl+HCOOH"	80.974872
"1330028"	300.984529	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Cl+NaCOOH"	102.956829
"919631"	311.013286	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M-H+CF3COOH"	112.985586
"1297433"	346.989964	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Cl+CF3COOH"	148.962264
"1382288"	163.015024	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H-2H2O"	-35.012676
"1397961"	181.025	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H-H2O"	-17.0027
"293511"	397.062676	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+H"	1.007276
"688849"	595.090376	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+H"	1.007276
"1362645"	199.034976	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H"	1.007276
"135534"	199.034976	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+2H"	2.014552
"578012"	298.048826	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+2H"	2.014552
"1051186"	100.021126	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2H"	2.014552
"212891"	133.025742666667	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+3H"	3.021828
"652451"	199.034976	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+3H"	3.021828
"1167295"	67.0165093333333	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+3H"	3.021828
"427287"	414.089223	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+NH4"	18.033823
"797036"	612.116923	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+NH4"	18.033823
"1690085"	216.061523	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+NH4"	18.033823
"336176"	207.5482495	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+H+NH4"	19.041099
"726410"	306.5620995	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+H+NH4"	19.041099
"1477552"	108.5343995	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H+NH4"	19.041099
"393072"	419.044618	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+Na"	22.989218
"757718"	617.072318	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+Na"	22.989218
"1606909"	221.016918	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Na"	22.989218
"315245"	210.025947	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+H+Na"	23.996494
"707539"	309.039797	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+H+Na"	23.996494
"1463552"	111.012097	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H+Na"	23.996494
"1054249"	74.3438233333333	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2H+Na"	25.00377
"1257747"	231.061186	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+CH3OH+H"	33.033486
"379240"	435.018558	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+K"	38.963158
"739502"	633.046258	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+K"	38.963158
"1540463"	236.990858	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+K"	38.963158
"299825"	218.012917	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+H+K"	39.970434
"692006"	317.026767	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+H+K"	39.970434
"1446191"	118.999067	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H+K"	39.970434
"238321"	438.089226	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+ACN+H"	42.033826
"1212490"	240.061526	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+ACN+H"	42.033826
"1197102"	120.534401	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+ACN+2H"	43.041102
"193256"	441.02656	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+2Na-H"	44.97116
"639378"	639.05426	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+2Na-H"	44.97116
"1134499"	242.99886	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2Na-H"	44.97116
"175604"	221.016918	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+2Na"	45.978436
"619175"	320.030768	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+2Na"	45.978436
"1116843"	122.003068	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2Na"	45.978436
"1400738"	81.6711373333333	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H+2Na"	46.985712
"1432125"	245.040446	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H+HCOOH"	47.012746
"220846"	226.04994	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+3H2O+2H"	56.04448
"1508905"	259.09249	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+IsoProp+H"	61.06479
"409315"	229.003888	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+Na+K"	61.952376
"770431"	328.017738	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+Na+K"	61.952376
"1666277"	129.990038	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Na+K"	61.952376
"252433"	460.071168	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+ACN+Na"	64.015768
"1225914"	262.043468	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+ACN+Na"	64.015768
"1713185"	262.066993	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+NH4+HCOOH"	64.039293
"1187666"	88.9984513333333	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+3Na"	68.967654
"1659746"	267.022388	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Na+HCOOH"	68.994688
"169890"	472.97444	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+2K-H"	76.91904
"611514"	671.00214	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+2K-H"	76.91904
"1098707"	274.94674	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2K-H"	76.91904
"156008"	236.990858	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"2M+2K"	77.926316
"595089"	336.004708	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"3M+2K"	77.926316
"1082752"	137.977008	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2K"	77.926316
"1114262"	276.961292	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2K+H"	78.933592
"1348462"	277.048907	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+DMSO+H"	79.021207
"1020028"	281.088076	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2ACN+H"	83.060376
"1538636"	282.081708	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+IsoProp+Na+H"	84.054008
"1002297"	141.047676	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+2ACN+2H"	84.067652
"1596435"	282.996328	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+K+HCOOH"	84.968628
"1428291"	313.027838	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+H+CF3COOH"	115.000138
"1160764"	161.560951	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+3ACN+2H"	125.094202
"1709588"	330.054385	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+NH4+CF3COOH"	132.026685
"1648516"	335.00978	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+Na+CF3COOH"	136.98208
"1585259"	350.98372	"C21159"	"24-Dinitroanisole"	"C7H6N2O5"	"198.0277"	"M+K+CF3COOH"	152.95602
"805782"	346.1852	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M"	0
"975301"	327.16681	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-H2O-H"	-19.01839
"65367"	229.782857333333	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M-3H"	-3.021828
"510394"	345.177924	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M-3H"	-3.021828
"886010"	114.387790666667	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-3H"	-3.021828
"2032"	345.177924	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M-2H"	-2.014552
"441951"	518.270524	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M-2H"	-2.014552
"819769"	172.085324	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-2H"	-2.014552
"82309"	691.363124	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M-H"	-1.007276
"522599"	1037.548324	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M-H"	-1.007276
"901498"	345.177924	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-H"	-1.007276
"52593"	708.389671	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M-2H+NH4"	16.019271
"493247"	1054.574871	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M-2H+NH4"	16.019271
"871049"	362.204471	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-2H+NH4"	16.019271
"38952"	713.345066	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M-2H+Na"	20.974666
"480703"	1059.530266	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M-2H+Na"	20.974666
"860693"	367.159866	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-2H+Na"	20.974666
"1630223"	367.159866	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Na-2H"	20.974666
"104567"	363.166263	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M-H+Cl"	33.962126
"538659"	536.258863	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M-H+Cl"	33.962126
"933265"	190.073663	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-H+Cl"	33.962126
"269267"	727.339802	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+Cl"	34.969402
"661323"	1073.525002	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+Cl"	34.969402
"1273482"	381.154602	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Cl"	34.969402
"16891"	729.319006	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M-2H+K"	36.948606
"460950"	1075.504206	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M-2H+K"	36.948606
"842036"	383.133806	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-2H+K"	36.948606
"1569898"	383.133806	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+K-2H"	36.948606
"955230"	391.183394	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-H+HCOOH"	44.998194
"376368"	737.368601	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+HCOOH-H"	44.998201
"360252"	751.384251	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+Hac-H"	59.013851
"1507627"	405.199051	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Hac-H"	59.013851
"970789"	413.165351	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-H+NaCOOH"	66.980151
"121883"	381.154602	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+2Cl"	69.938804
"558164"	554.247202	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+2Cl"	69.938804
"1036781"	208.062002	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2Cl"	69.938804
"1256033"	425.104085	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Br"	78.918885
"1318840"	427.160072	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Cl+HCOOH"	80.974872
"1334761"	449.142029	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Cl+NaCOOH"	102.956829
"917554"	459.170786	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M-H+CF3COOH"	112.985586
"1295357"	495.147464	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Cl+CF3COOH"	148.962264
"1381787"	311.172524	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H-2H2O"	-35.012676
"1396853"	329.1825	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H-H2O"	-17.0027
"293257"	693.377676	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+H"	1.007276
"689323"	1039.562876	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+H"	1.007276
"1363119"	347.192476	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H"	1.007276
"134550"	347.192476	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+2H"	2.014552
"578122"	520.285076	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+2H"	2.014552
"1050932"	174.099876	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2H"	2.014552
"213001"	231.797409333333	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+3H"	3.021828
"650375"	347.192476	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+3H"	3.021828
"1167405"	116.402342666667	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+3H"	3.021828
"427397"	710.404223	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+NH4"	18.033823
"796053"	1056.589423	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+NH4"	18.033823
"1690195"	364.219023	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+NH4"	18.033823
"336286"	355.7057495	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+H+NH4"	19.041099
"726520"	528.7983495	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+H+NH4"	19.041099
"1477119"	182.6131495	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H+NH4"	19.041099
"392866"	715.359618	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+Na"	22.989218
"756735"	1061.544818	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+Na"	22.989218
"1605926"	369.174418	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Na"	22.989218
"315597"	358.183447	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+H+Na"	23.996494
"707529"	531.276047	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+H+Na"	23.996494
"1463297"	185.090847	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H+Na"	23.996494
"1053506"	123.729656666667	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2H+Na"	25.00377
"1257614"	379.218686	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+CH3OH+H"	33.033486
"378621"	731.333558	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+K"	38.963158
"739853"	1077.518758	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+K"	38.963158
"1540569"	385.148358	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+K"	38.963158
"299570"	366.170417	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+H+K"	39.970434
"691906"	539.263017	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+H+K"	39.970434
"1447271"	193.077817	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H+K"	39.970434
"236975"	734.404226	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+ACN+H"	42.033826
"1211143"	388.219026	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+ACN+H"	42.033826
"1197577"	194.613151	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+ACN+2H"	43.041102
"191177"	737.34156	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+2Na-H"	44.97116
"639488"	1083.52676	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+2Na-H"	44.97116
"1133516"	391.15636	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2Na-H"	44.97116
"173644"	369.174418	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+2Na"	45.978436
"613694"	542.267018	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+2Na"	45.978436
"1116224"	196.081818	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2Na"	45.978436
"1400604"	131.056970666667	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H+2Na"	46.985712
"1432599"	393.197946	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H+HCOOH"	47.012746
"221320"	374.20744	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+3H2O+2H"	56.04448
"1508538"	407.24999	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+IsoProp+H"	61.06479
"408735"	377.161388	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+Na+K"	61.952376
"770019"	550.253988	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+Na+K"	61.952376
"1666270"	204.068788	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Na+K"	61.952376
"252422"	756.386168	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+ACN+Na"	64.015768
"1226593"	410.200968	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+ACN+Na"	64.015768
"1712725"	410.224493	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+NH4+HCOOH"	64.039293
"1188869"	138.384284666667	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+3Na"	68.967654
"1660949"	415.179888	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Na+HCOOH"	68.994688
"165623"	769.28944	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+2K-H"	76.91904
"606277"	1115.47464	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+2K-H"	76.91904
"1097353"	423.10424	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2K-H"	76.91904
"153076"	385.148358	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"2M+2K"	77.926316
"593731"	558.240958	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"3M+2K"	77.926316
"1083348"	212.055758	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2K"	77.926316
"1114858"	425.118792	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2K+H"	78.933592
"1348939"	425.206407	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+DMSO+H"	79.021207
"1019898"	429.245576	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2ACN+H"	83.060376
"1538867"	430.239208	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+IsoProp+Na+H"	84.054008
"1002041"	215.126426	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+2ACN+2H"	84.067652
"1600916"	431.153828	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+K+HCOOH"	84.968628
"1426579"	461.185338	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+H+CF3COOH"	115.000138
"1161603"	235.639701	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+3ACN+2H"	125.094202
"1711519"	478.211885	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+NH4+CF3COOH"	132.026685
"1648626"	483.16728	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+Na+CF3COOH"	136.98208
"1585369"	499.14122	"C21160"	"L-Alanyl-gamma-D-glutamyl-L-lysine;L-Ala-gamma-D-Glu-L-Lys"	"C14H26N4O6"	"346.1852"	"M+K+CF3COOH"	152.95602
"805892"	349.1274	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M"	0
"976142"	330.10901	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-H2O-H"	-19.01839
"66570"	231.744324	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M-3H"	-3.021828
"513785"	348.120124	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M-3H"	-3.021828
"888306"	115.368524	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-3H"	-3.021828
"1776"	348.120124	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M-2H"	-2.014552
"442065"	522.683824	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M-2H"	-2.014552
"818785"	173.556424	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-2H"	-2.014552
"82055"	697.247524	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M-H"	-1.007276
"523802"	1046.374924	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M-H"	-1.007276
"901608"	348.120124	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-H"	-1.007276
"52703"	714.274071	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M-2H+NH4"	16.019271
"493357"	1063.401471	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M-2H+NH4"	16.019271
"867878"	365.146671	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-2H+NH4"	16.019271
"35782"	719.229466	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M-2H+Na"	20.974666
"479720"	1068.356866	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M-2H+Na"	20.974666
"855335"	370.102066	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-2H+Na"	20.974666
"1624866"	370.102066	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Na-2H"	20.974666
"102490"	366.108463	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M-H+Cl"	33.962126
"535610"	540.672163	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M-H+Cl"	33.962126
"933374"	191.544763	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-H+Cl"	33.962126
"269012"	733.224202	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+Cl"	34.969402
"663258"	1082.351602	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+Cl"	34.969402
"1274567"	384.096802	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Cl"	34.969402
"19313"	735.203406	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M-2H+K"	36.948606
"459966"	1084.330806	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M-2H+K"	36.948606
"841053"	386.076006	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-2H+K"	36.948606
"1567821"	386.076006	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+K-2H"	36.948606
"955704"	394.125594	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-H+HCOOH"	44.998194
"377022"	743.253001	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+HCOOH-H"	44.998201
"360727"	757.268651	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+Hac-H"	59.013851
"1506639"	408.141251	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Hac-H"	59.013851
"966527"	416.107551	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-H+NaCOOH"	66.980151
"118712"	384.096802	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+2Cl"	69.938804
"554995"	558.660502	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+2Cl"	69.938804
"1034375"	209.533102	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2Cl"	69.938804
"1255411"	428.046285	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Br"	78.918885
"1317493"	430.102272	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Cl+HCOOH"	80.974872
"1334626"	452.084229	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Cl+NaCOOH"	102.956829
"912682"	462.112986	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M-H+CF3COOH"	112.985586
"1292187"	498.089664	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Cl+CF3COOH"	148.962264
"1381288"	314.114724	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H-2H2O"	-35.012676
"1397327"	332.1247	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H-H2O"	-17.0027
"293367"	699.262076	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+H"	1.007276
"689798"	1048.389476	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+H"	1.007276
"1359949"	350.134676	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H"	1.007276
"134661"	350.134676	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+2H"	2.014552
"576045"	524.698376	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+2H"	2.014552
"1046304"	175.570976	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2H"	2.014552
"209831"	233.758876	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+3H"	3.021828
"644652"	350.134676	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+3H"	3.021828
"1164235"	117.383076	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+3H"	3.021828
"424263"	716.288623	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+NH4"	18.033823
"793977"	1065.416023	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+NH4"	18.033823
"1689213"	367.161223	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+NH4"	18.033823
"333116"	358.6479495	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+H+NH4"	19.041099
"726630"	533.2116495	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+H+NH4"	19.041099
"1477241"	184.0842495	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H+NH4"	19.041099
"393081"	721.244018	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+Na"	22.989218
"755264"	1070.371418	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+Na"	22.989218
"1602735"	372.116618	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Na"	22.989218
"314283"	361.125647	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+H+Na"	23.996494
"707119"	535.689347	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+H+Na"	23.996494
"1461370"	186.561947	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H+Na"	23.996494
"1052877"	124.71039	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2H+Na"	25.00377
"1257088"	382.160886	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+CH3OH+H"	33.033486
"377197"	737.217958	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+K"	38.963158
"738825"	1086.345358	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+K"	38.963158
"1539910"	388.090558	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+K"	38.963158
"298571"	369.112617	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+H+K"	39.970434
"691374"	543.676317	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+H+K"	39.970434
"1445616"	194.548917	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H+K"	39.970434
"236357"	740.288626	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+ACN+H"	42.033826
"1210886"	391.161226	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+ACN+H"	42.033826
"1196228"	196.084251	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+ACN+2H"	43.041102
"189341"	743.22596	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+2Na-H"	44.97116
"638505"	1092.35336	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+2Na-H"	44.97116
"1133990"	394.09856	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2Na-H"	44.97116
"173998"	372.116618	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+2Na"	45.978436
"613561"	546.680318	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+2Na"	45.978436
"1116011"	197.552918	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2Na"	45.978436
"1399133"	132.037704	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H+2Na"	46.985712
"1430399"	396.140146	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H+HCOOH"	47.012746
"220458"	377.14964	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+3H2O+2H"	56.04448
"1508717"	410.19219	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+IsoProp+H"	61.06479
"408885"	380.103588	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+Na+K"	61.952376
"769953"	554.667288	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+Na+K"	61.952376
"1665618"	205.539888	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Na+K"	61.952376
"252170"	762.270568	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+ACN+Na"	64.015768
"1226705"	413.143168	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+ACN+Na"	64.015768
"1712807"	413.166693	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+NH4+HCOOH"	64.039293
"1186793"	139.365018	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+3Na"	68.967654
"1657779"	418.122088	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Na+HCOOH"	68.994688
"163546"	775.17384	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+2K-H"	76.91904
"599096"	1124.30124	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+2K-H"	76.91904
"1094181"	426.04644	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2K-H"	76.91904
"153186"	388.090558	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"2M+2K"	77.926316
"592747"	562.654258	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"3M+2K"	77.926316
"1082726"	213.526858	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2K"	77.926316
"1114604"	428.060992	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2K+H"	78.933592
"1349774"	428.148607	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+DMSO+H"	79.021207
"1020494"	432.187776	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2ACN+H"	83.060376
"1535697"	433.181408	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+IsoProp+Na+H"	84.054008
"1005065"	216.597526	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+2ACN+2H"	84.067652
"1601026"	434.096028	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+K+HCOOH"	84.968628
"1427418"	464.127538	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+H+CF3COOH"	115.000138
"1162674"	237.110801	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+3ACN+2H"	125.094202
"1710900"	481.154085	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+NH4+CF3COOH"	132.026685
"1648736"	486.10948	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+Na+CF3COOH"	136.98208
"1585479"	502.08342	"C21161"	"Mitomycin A"	"C16H19N3O6"	"349.1274"	"M+K+CF3COOH"	152.95602
"806002"	335.1117	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M"	0
"977344"	316.09331	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-H2O-H"	-19.01839
"66680"	222.400524	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M-3H"	-3.021828
"511707"	334.104424	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M-3H"	-3.021828
"886229"	110.696624	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-3H"	-3.021828
"1522"	334.104424	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M-2H"	-2.014552
"442173"	501.660274	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M-2H"	-2.014552
"819988"	166.548574	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-2H"	-2.014552
"82165"	669.216124	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M-H"	-1.007276
"523912"	1004.327824	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M-H"	-1.007276
"900625"	334.104424	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-H"	-1.007276
"52813"	686.242671	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M-2H+NH4"	16.019271
"490187"	1021.354371	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M-2H+NH4"	16.019271
"864709"	351.130971	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-2H+NH4"	16.019271
"35892"	691.198066	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M-2H+Na"	20.974666
"476548"	1026.309766	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M-2H+Na"	20.974666
"854352"	356.086366	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-2H+Na"	20.974666
"1621696"	356.086366	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Na-2H"	20.974666
"101507"	352.092763	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M-H+Cl"	33.962126
"538880"	519.648613	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M-H+Cl"	33.962126
"929109"	184.536913	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-H+Cl"	33.962126
"267295"	705.192802	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+Cl"	34.969402
"661545"	1040.304502	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+Cl"	34.969402
"1273707"	370.081102	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Cl"	34.969402
"15934"	707.172006	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M-2H+K"	36.948606
"456063"	1042.283706	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M-2H+K"	36.948606
"840070"	372.060306	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-2H+K"	36.948606
"1566838"	372.060306	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+K-2H"	36.948606
"955814"	380.109894	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-H+HCOOH"	44.998194
"374766"	715.221601	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+HCOOH-H"	44.998201
"352451"	729.237251	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+Hac-H"	59.013851
"1499094"	394.125551	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Hac-H"	59.013851
"964448"	402.091851	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-H+NaCOOH"	66.980151
"113720"	370.081102	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+2Cl"	69.938804
"554012"	537.636952	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+2Cl"	69.938804
"1034849"	202.525252	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2Cl"	69.938804
"1255521"	414.030585	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Br"	78.918885
"1317967"	416.086572	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Cl+HCOOH"	80.974872
"1334368"	438.068529	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Cl+NaCOOH"	102.956829
"912672"	448.097286	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M-H+CF3COOH"	112.985586
"1293391"	484.073964	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Cl+CF3COOH"	148.962264
"1382004"	300.099024	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H-2H2O"	-35.012676
"1395250"	318.109	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H-H2O"	-17.0027
"290561"	671.230676	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+H"	1.007276
"687356"	1006.342376	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+H"	1.007276
"1357507"	336.118976	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H"	1.007276
"134771"	336.118976	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+2H"	2.014552
"573239"	503.674826	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+2H"	2.014552
"1046414"	168.563126	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2H"	2.014552
"208848"	224.415076	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+3H"	3.021828
"646221"	336.118976	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+3H"	3.021828
"1163247"	112.711176	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+3H"	3.021828
"424328"	688.257223	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+NH4"	18.033823
"795180"	1023.368923	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+NH4"	18.033823
"1687500"	353.145523	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+NH4"	18.033823
"333226"	344.6322495	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+H+NH4"	19.041099
"727833"	512.1880995	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+H+NH4"	19.041099
"1477191"	177.0763995	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H+NH4"	19.041099
"393157"	693.212618	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+Na"	22.989218
"754400"	1028.324318	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+Na"	22.989218
"1603104"	358.100918	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Na"	22.989218
"315569"	347.109947	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+H+Na"	23.996494
"707871"	514.665797	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+H+Na"	23.996494
"1461930"	179.554097	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H+Na"	23.996494
"1053354"	120.03849	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2H+Na"	25.00377
"1257462"	368.145186	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+CH3OH+H"	33.033486
"377862"	709.186558	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+K"	38.963158
"739465"	1044.298258	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+K"	38.963158
"1540460"	374.074858	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+K"	38.963158
"298678"	355.096917	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+H+K"	39.970434
"692081"	522.652767	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+H+K"	39.970434
"1445818"	187.541067	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H+K"	39.970434
"237189"	712.257226	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+ACN+H"	42.033826
"1210633"	377.145526	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+ACN+H"	42.033826
"1195608"	189.076401	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+ACN+2H"	43.041102
"189938"	715.19456	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+2Na-H"	44.97116
"638615"	1050.30626	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+2Na-H"	44.97116
"1134465"	380.08286	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2Na-H"	44.97116
"173378"	358.100918	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+2Na"	45.978436
"616224"	525.656768	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+2Na"	45.978436
"1116692"	190.545068	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2Na"	45.978436
"1398835"	127.365804	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H+2Na"	46.985712
"1429943"	382.124446	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H+HCOOH"	47.012746
"220022"	363.13394	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+3H2O+2H"	56.04448
"1508602"	396.17649	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+IsoProp+H"	61.06479
"408683"	366.087888	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+Na+K"	61.952376
"770525"	533.643738	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+Na+K"	61.952376
"1665880"	198.532038	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Na+K"	61.952376
"252641"	734.239168	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+ACN+Na"	64.015768
"1226450"	399.127468	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+ACN+Na"	64.015768
"1712864"	399.150993	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+NH4+HCOOH"	64.039293
"1186903"	134.693118	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+3Na"	68.967654
"1656795"	404.106388	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Na+HCOOH"	68.994688
"164749"	747.14244	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+2K-H"	76.91904
"599935"	1082.25414	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+2K-H"	76.91904
"1089915"	412.03074	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2K-H"	76.91904
"152200"	374.074858	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"2M+2K"	77.926316
"591763"	541.630708	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"3M+2K"	77.926316
"1081742"	206.519008	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2K"	77.926316
"1114714"	414.045292	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2K+H"	78.933592
"1349881"	414.132907	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+DMSO+H"	79.021207
"1020722"	418.172076	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2ACN+H"	83.060376
"1534712"	419.165708	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+IsoProp+Na+H"	84.054008
"1005054"	209.589676	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+2ACN+2H"	84.067652
"1601136"	420.080328	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+K+HCOOH"	84.968628
"1429788"	450.111838	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+H+CF3COOH"	115.000138
"1162187"	230.102951	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+3ACN+2H"	125.094202
"1712103"	467.138385	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+NH4+CF3COOH"	132.026685
"1648846"	472.09378	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+Na+CF3COOH"	136.98208
"1585589"	488.06772	"C21162"	"Mitomycin B"	"C15H17N3O6"	"335.1117"	"M+K+CF3COOH"	152.95602
"811580"	335.1117	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M"	0
"979644"	316.09331	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-H2O-H"	-19.01839
"66063"	222.400524	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M-3H"	-3.021828
"511819"	334.104424	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M-3H"	-3.021828
"888526"	110.696624	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-3H"	-3.021828
"3822"	334.104424	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M-2H"	-2.014552
"445569"	501.660274	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M-2H"	-2.014552
"822285"	166.548574	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-2H"	-2.014552
"80453"	669.216124	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M-H"	-1.007276
"522930"	1004.327824	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M-H"	-1.007276
"900735"	334.104424	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-H"	-1.007276
"56203"	686.242671	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M-2H+NH4"	16.019271
"490297"	1021.354371	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M-2H+NH4"	16.019271
"868099"	351.130971	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-2H+NH4"	16.019271
"36002"	691.198066	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M-2H+Na"	20.974666
"478845"	1026.309766	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M-2H+Na"	20.974666
"856648"	356.086366	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-2H+Na"	20.974666
"1629460"	356.086366	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Na-2H"	20.974666
"100523"	352.092763	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M-H+Cl"	33.962126
"538991"	519.648613	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M-H+Cl"	33.962126
"928490"	184.536913	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-H+Cl"	33.962126
"267528"	705.192802	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+Cl"	34.969402
"663479"	1040.304502	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+Cl"	34.969402
"1275154"	370.081102	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Cl"	34.969402
"17830"	707.172006	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M-2H+K"	36.948606
"456053"	1042.283706	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M-2H+K"	36.948606
"841271"	372.060306	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-2H+K"	36.948606
"1566948"	372.060306	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+K-2H"	36.948606
"957752"	380.109894	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-H+HCOOH"	44.998194
"374511"	715.221601	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+HCOOH-H"	44.998201
"358395"	729.237251	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+Hac-H"	59.013851
"1504672"	394.125551	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Hac-H"	59.013851
"968933"	402.091851	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-H+NaCOOH"	66.980151
"120026"	370.081102	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+2Cl"	69.938804
"555215"	537.636952	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+2Cl"	69.938804
"1035323"	202.525252	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2Cl"	69.938804
"1254904"	414.030585	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Br"	78.918885
"1315889"	416.086572	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Cl+HCOOH"	80.974872
"1334116"	438.068529	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Cl+NaCOOH"	102.956829
"914605"	448.097286	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M-H+CF3COOH"	112.985586
"1295687"	484.073964	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Cl+CF3COOH"	148.962264
"1373852"	300.099024	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H-2H2O"	-35.012676
"1396452"	318.109	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H-H2O"	-17.0027
"284474"	671.230676	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+H"	1.007276
"682362"	1006.342376	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+H"	1.007276
"1358710"	336.118976	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H"	1.007276
"139986"	336.118976	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+2H"	2.014552
"575534"	503.674826	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+2H"	2.014552
"1046524"	168.563126	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2H"	2.014552
"215154"	224.415076	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+3H"	3.021828
"648518"	336.118976	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+3H"	3.021828
"1165548"	112.711176	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+3H"	3.021828
"425783"	688.257223	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+NH4"	18.033823
"795290"	1023.368923	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+NH4"	18.033823
"1690526"	353.145523	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+NH4"	18.033823
"339896"	344.6322495	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+H+NH4"	19.041099
"730130"	512.1880995	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+H+NH4"	19.041099
"1480669"	177.0763995	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H+NH4"	19.041099
"397161"	693.212618	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+Na"	22.989218
"758522"	1028.324318	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+Na"	22.989218
"1605163"	358.100918	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Na"	22.989218
"316658"	347.109947	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+H+Na"	23.996494
"710537"	514.665797	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+H+Na"	23.996494
"1462898"	179.554097	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H+Na"	23.996494
"1053471"	120.03849	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2H+Na"	25.00377
"1258307"	368.145186	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+CH3OH+H"	33.033486
"378948"	709.186558	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+K"	38.963158
"740304"	1044.298258	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+K"	38.963158
"1540091"	374.074858	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+K"	38.963158
"298727"	355.096917	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+H+K"	39.970434
"691590"	522.652767	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+H+K"	39.970434
"1445941"	187.541067	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H+K"	39.970434
"237666"	712.257226	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+ACN+H"	42.033826
"1213659"	377.145526	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+ACN+H"	42.033826
"1198638"	189.076401	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+ACN+2H"	43.041102
"191510"	715.19456	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+2Na-H"	44.97116
"638725"	1050.30626	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+2Na-H"	44.97116
"1133483"	380.08286	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2Na-H"	44.97116
"178960"	358.100918	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+2Na"	45.978436
"616334"	525.656768	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+2Na"	45.978436
"1119841"	190.545068	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2Na"	45.978436
"1399110"	127.365804	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H+2Na"	46.985712
"1429908"	382.124446	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H+HCOOH"	47.012746
"220006"	363.13394	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+3H2O+2H"	56.04448
"1508464"	396.17649	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+IsoProp+H"	61.06479
"408557"	366.087888	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+Na+K"	61.952376
"771729"	533.643738	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+Na+K"	61.952376
"1666481"	198.532038	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Na+K"	61.952376
"252758"	734.239168	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+ACN+Na"	64.015768
"1229476"	399.127468	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+ACN+Na"	64.015768
"1713383"	399.150993	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+NH4+HCOOH"	64.039293
"1185920"	134.693118	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+3Na"	68.967654
"1656905"	404.106388	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Na+HCOOH"	68.994688
"162672"	747.14244	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+2K-H"	76.91904
"602234"	1082.25414	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+2K-H"	76.91904
"1092213"	412.03074	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2K-H"	76.91904
"152312"	374.074858	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"2M+2K"	77.926316
"592969"	541.630708	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"3M+2K"	77.926316
"1078574"	206.519008	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2K"	77.926316
"1113606"	414.045292	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2K+H"	78.933592
"1348167"	414.132907	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+DMSO+H"	79.021207
"1017797"	418.172076	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2ACN+H"	83.060376
"1535916"	419.165708	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+IsoProp+Na+H"	84.054008
"1003706"	209.589676	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+2ACN+2H"	84.067652
"1600883"	420.080328	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+K+HCOOH"	84.968628
"1429459"	450.111838	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+H+CF3COOH"	115.000138
"1161568"	230.102951	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+3ACN+2H"	125.094202
"1712212"	467.138385	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+NH4+CF3COOH"	132.026685
"1648956"	472.09378	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+Na+CF3COOH"	136.98208
"1585699"	488.06772	"C21163"	"7-Demethylmitomycin A;6-Demethylmitomycin A"	"C15H17N3O6"	"335.1117"	"M+K+CF3COOH"	152.95602
"806222"	321.0961	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M"	0
"975380"	302.07771	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-H2O-H"	-19.01839
"65807"	213.056790666667	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M-3H"	-3.021828
"510834"	320.088824	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M-3H"	-3.021828
"884262"	106.024757333333	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-3H"	-3.021828
"3932"	320.088824	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M-2H"	-2.014552
"446772"	480.636874	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M-2H"	-2.014552
"821302"	159.540774	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-2H"	-2.014552
"80927"	641.184924	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M-H"	-1.007276
"520485"	962.281024	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M-H"	-1.007276
"900845"	320.088824	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-H"	-1.007276
"53033"	658.211471	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M-2H+NH4"	16.019271
"489433"	979.307571	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M-2H+NH4"	16.019271
"866021"	337.115371	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-2H+NH4"	16.019271
"32462"	663.166866	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M-2H+Na"	20.974666
"476767"	984.262966	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M-2H+Na"	20.974666
"851289"	342.070766	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-2H+Na"	20.974666
"1625194"	342.070766	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Na-2H"	20.974666
"101723"	338.077163	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M-H+Cl"	33.962126
"539096"	498.625213	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M-H+Cl"	33.962126
"930417"	177.529113	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-H+Cl"	33.962126
"268243"	677.161602	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+Cl"	34.969402
"663222"	998.257702	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+Cl"	34.969402
"1275622"	356.065502	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Cl"	34.969402
"18546"	679.140806	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M-2H+K"	36.948606
"458107"	1000.236906	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M-2H+K"	36.948606
"839194"	358.044706	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-2H+K"	36.948606
"1568880"	358.044706	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+K-2H"	36.948606
"957132"	366.094294	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-H+HCOOH"	44.998194
"373161"	687.190401	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+HCOOH-H"	44.998201
"358139"	701.206051	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+Hac-H"	59.013851
"1503689"	380.109951	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Hac-H"	59.013851
"970136"	388.076251	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-H+NaCOOH"	66.980151
"116856"	356.065502	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+2Cl"	69.938804
"555324"	516.613552	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+2Cl"	69.938804
"1035798"	195.517452	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2Cl"	69.938804
"1255008"	400.014985	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Br"	78.918885
"1314902"	402.070972	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Cl+HCOOH"	80.974872
"1329119"	424.052929	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Cl+NaCOOH"	102.956829
"917997"	434.081686	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M-H+CF3COOH"	112.985586
"1295797"	470.058364	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Cl+CF3COOH"	148.962264
"1373962"	286.083424	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H-2H2O"	-35.012676
"1396926"	304.0934	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H-H2O"	-17.0027
"286041"	643.199476	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+H"	1.007276
"681379"	964.295576	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+H"	1.007276
"1357727"	322.103376	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H"	1.007276
"130615"	322.103376	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+2H"	2.014552
"569082"	482.651426	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+2H"	2.014552
"1045540"	161.555326	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2H"	2.014552
"213442"	215.071342666667	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+3H"	3.021828
"650815"	322.103376	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+3H"	3.021828
"1164686"	108.039309333333	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+3H"	3.021828
"425893"	660.226023	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+NH4"	18.033823
"796493"	981.322123	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+NH4"	18.033823
"1688450"	339.129923	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+NH4"	18.033823
"336727"	330.6166495	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+H+NH4"	19.041099
"728054"	491.1646995	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+H+NH4"	19.041099
"1481873"	170.0685995	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H+NH4"	19.041099
"395085"	665.181418	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+Na"	22.989218
"757174"	986.277518	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+Na"	22.989218
"1605273"	344.085318	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Na"	22.989218
"317130"	333.094347	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+H+Na"	23.996494
"710283"	493.642397	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+H+Na"	23.996494
"1464104"	172.546297	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H+Na"	23.996494
"1054187"	115.366623333333	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2H+Na"	25.00377
"1258539"	354.129586	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+CH3OH+H"	33.033486
"380881"	681.155358	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+K"	38.963158
"741144"	1002.251458	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+K"	38.963158
"1540890"	360.059258	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+K"	38.963158
"298959"	341.081317	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+H+K"	39.970434
"692797"	501.629367	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+H+K"	39.970434
"1446616"	180.533267	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H+K"	39.970434
"238140"	684.226026	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+ACN+H"	42.033826
"1213769"	363.129926	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+ACN+H"	42.033826
"1199841"	182.068601	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+ACN+2H"	43.041102
"189431"	687.16336	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+2Na-H"	44.97116
"639928"	1008.25946	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+2Na-H"	44.97116
"1131645"	366.06726	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2Na-H"	44.97116
"173478"	344.085318	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+2Na"	45.978436
"614011"	504.633368	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+2Na"	45.978436
"1117763"	183.537268	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2Na"	45.978436
"1400195"	122.693937333333	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H+2Na"	46.985712
"1430362"	368.108846	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H+HCOOH"	47.012746
"220420"	349.11834	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+3H2O+2H"	56.04448
"1509092"	382.16089	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+IsoProp+H"	61.06479
"409751"	352.072288	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+Na+K"	61.952376
"772567"	512.620338	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+Na+K"	61.952376
"1667078"	191.524238	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Na+K"	61.952376
"253960"	706.207968	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+ACN+Na"	64.015768
"1227763"	385.111868	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+ACN+Na"	64.015768
"1713372"	385.135393	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+NH4+HCOOH"	64.039293
"1181654"	130.021251333333	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+3Na"	68.967654
"1657015"	390.090788	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Na+HCOOH"	68.994688
"160595"	719.11124	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+2K-H"	76.91904
"600154"	1040.20734	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+2K-H"	76.91904
"1087217"	398.01514	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2K-H"	76.91904
"152420"	360.059258	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"2M+2K"	77.926316
"587608"	520.607308	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"3M+2K"	77.926316
"1080505"	199.511208	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2K"	77.926316
"1112984"	400.029692	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2K+H"	78.933592
"1347183"	400.117307	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+DMSO+H"	79.021207
"1016809"	404.156476	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2ACN+H"	83.060376
"1534933"	405.150108	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+IsoProp+Na+H"	84.054008
"1001384"	202.581876	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+2ACN+2H"	84.067652
"1599169"	406.064728	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+K+HCOOH"	84.968628
"1428839"	436.096238	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+H+CF3COOH"	115.000138
"1160585"	223.095151	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+3ACN+2H"	125.094202
"1712322"	453.122785	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+NH4+CF3COOH"	132.026685
"1649755"	458.07818	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+Na+CF3COOH"	136.98208
"1585809"	474.05212	"C21164"	"7-Demethylmitomycin B;6-Demethylmitomycin B"	"C14H15N3O6"	"321.0961"	"M+K+CF3COOH"	152.95602
"809614"	136.0524	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M"	0
"978772"	117.03401	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H2O-H"	-19.01839
"64826"	89.694324	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-3H"	-3.021828
"506573"	135.045124	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-3H"	-3.021828
"882190"	44.343524	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-3H"	-3.021828
"4042"	135.045124	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H"	-2.014552
"449080"	203.071324	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H"	-2.014552
"827975"	67.018924	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H"	-2.014552
"84685"	271.097524	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-H"	-1.007276
"528623"	407.149924	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-H"	-1.007276
"900957"	135.045124	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H"	-1.007276
"57522"	288.124071	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+NH4"	16.019271
"499267"	424.176471	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+NH4"	16.019271
"874883"	152.071671	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H+NH4"	16.019271
"41692"	293.079466	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+Na"	20.974666
"479065"	429.131866	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+Na"	20.974666
"860147"	157.027066	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H+Na"	20.974666
"1630773"	157.027066	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na-2H"	20.974666
"107301"	153.033463	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-H+Cl"	33.962126
"539206"	221.059663	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-H+Cl"	33.962126
"934909"	85.007263	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+Cl"	33.962126
"272371"	307.074202	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Cl"	34.969402
"661630"	443.126602	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+Cl"	34.969402
"1275007"	171.021802	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl"	34.969402
"19751"	309.053406	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M-2H+K"	36.948606
"463691"	445.105806	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M-2H+K"	36.948606
"839304"	173.001006	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-2H+K"	36.948606
"1571024"	173.001006	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K-2H"	36.948606
"953961"	181.050594	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+HCOOH"	44.998194
"372907"	317.103001	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+HCOOH-H"	44.998201
"357882"	331.118651	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Hac-H"	59.013851
"1502706"	195.066251	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Hac-H"	59.013851
"970246"	203.032551	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+NaCOOH"	66.980151
"116970"	171.021802	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2Cl"	69.938804
"564192"	239.048002	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2Cl"	69.938804
"1035787"	102.995602	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2Cl"	69.938804
"1254753"	214.971285	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Br"	78.918885
"1316473"	217.027272	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+HCOOH"	80.974872
"1330330"	239.009229	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+NaCOOH"	102.956829
"918106"	249.037986	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M-H+CF3COOH"	112.985586
"1294814"	285.014664	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Cl+CF3COOH"	148.962264
"1374072"	101.039724	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H-2H2O"	-35.012676
"1384643"	119.0497	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H-H2O"	-17.0027
"284327"	273.112076	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H"	1.007276
"680394"	409.164476	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H"	1.007276
"1361119"	137.059676	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H"	1.007276
"132915"	137.059676	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2H"	2.014552
"576854"	205.085876	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2H"	2.014552
"1045654"	69.033476	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2H"	2.014552
"213553"	91.708876	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+3H"	3.021828
"650925"	137.059676	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+3H"	3.021828
"1170144"	46.358076	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+3H"	3.021828
"426858"	290.138623	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+NH4"	18.033823
"792227"	426.191023	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+NH4"	18.033823
"1685279"	154.086223	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+NH4"	18.033823
"333923"	145.5729495	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H+NH4"	19.041099
"732542"	213.5991495	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H+NH4"	19.041099
"1480165"	77.5467495	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+NH4"	19.041099
"395563"	295.094018	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Na"	22.989218
"758380"	431.146418	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+Na"	22.989218
"1607571"	159.041618	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na"	22.989218
"319065"	148.050647	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H+Na"	23.996494
"719870"	216.076847	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H+Na"	23.996494
"1472597"	80.024447	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+Na"	23.996494
"1063655"	53.68539	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2H+Na"	25.00377
"1265335"	169.085886	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+CH3OH+H"	33.033486
"381723"	311.067958	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+K"	38.963158
"739556"	447.120358	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+K"	38.963158
"1541857"	175.015558	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K"	38.963158
"299392"	156.037617	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+H+K"	39.970434
"693271"	224.063817	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+H+K"	39.970434
"1446121"	88.011417	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+K"	39.970434
"238250"	314.138626	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+H"	42.033826
"1214972"	178.086226	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+H"	42.033826
"1196790"	89.546751	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+2H"	43.041102
"189538"	317.07596	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na-H"	44.97116
"638945"	453.12836	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na-H"	44.97116
"1133823"	181.02356	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2Na-H"	44.97116
"182461"	159.041618	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2Na"	45.978436
"614122"	227.067818	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2Na"	45.978436
"1122249"	91.015418	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2Na"	45.978436
"1405773"	61.012704	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+2Na"	46.985712
"1432056"	183.065146	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+HCOOH"	47.012746
"224305"	164.07464	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+3H2O+2H"	56.04448
"1514552"	197.11719	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+H"	61.06479
"410229"	167.028588	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+Na+K"	61.952376
"775593"	235.054788	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+Na+K"	61.952376
"1669738"	99.002388	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na+K"	61.952376
"253462"	336.120568	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+ACN+Na"	64.015768
"1228969"	200.068168	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+ACN+Na"	64.015768
"1717502"	200.091693	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+HCOOH"	64.039293
"1185044"	68.340018	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+3Na"	68.967654
"1658218"	205.047088	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na+HCOOH"	68.994688
"163986"	349.02384	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2K-H"	76.91904
"604639"	485.07624	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2K-H"	76.91904
"1092431"	212.97144	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2K-H"	76.91904
"151436"	175.015558	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"2M+2K"	77.926316
"588809"	243.041758	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"3M+2K"	77.926316
"1082069"	106.989358	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2K"	77.926316
"1106530"	214.985992	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2K+H"	78.933592
"1347298"	215.073607	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+DMSO+H"	79.021207
"1016920"	219.112776	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+H"	83.060376
"1532860"	220.106408	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+IsoProp+Na+H"	84.054008
"994935"	110.060026	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+2ACN+2H"	84.067652
"1600374"	221.021028	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K+HCOOH"	84.968628
"1427127"	251.052538	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+H+CF3COOH"	115.000138
"1155229"	130.573301	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+3ACN+2H"	125.094202
"1710246"	268.079085	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+NH4+CF3COOH"	132.026685
"1648084"	273.03448	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+Na+CF3COOH"	136.98208
"1585920"	289.00842	"C21166"	"4-Hydroxy-3-methylbenzaldehyde"	"C8H8O2"	"136.0524"	"M+K+CF3COOH"	152.95602
"806443"	152.0473	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M"	0
"978882"	133.02891	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-H2O-H"	-19.01839
"64936"	100.357590666667	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M-3H"	-3.021828
"503443"	151.040024	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M-3H"	-3.021828
"880190"	49.6751573333333	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-3H"	-3.021828
"25"	151.040024	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M-2H"	-2.014552
"452470"	227.063674	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M-2H"	-2.014552
"829178"	75.016374	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-2H"	-2.014552
"82972"	303.087324	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M-H"	-1.007276
"529826"	455.134624	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M-H"	-1.007276
"902160"	151.040024	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-H"	-1.007276
"56538"	320.113871	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M-2H+NH4"	16.019271
"498284"	472.161171	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M-2H+NH4"	16.019271
"871713"	168.066571	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-2H+NH4"	16.019271
"36334"	325.069266	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M-2H+Na"	20.974666
"480268"	477.116566	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M-2H+Na"	20.974666
"860986"	173.021966	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-2H+Na"	20.974666
"1631976"	173.021966	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Na-2H"	20.974666
"106318"	169.028363	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M-H+Cl"	33.962126
"538221"	245.052013	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M-H+Cl"	33.962126
"933926"	93.004713	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-H+Cl"	33.962126
"273574"	339.064002	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+Cl"	34.969402
"661255"	491.111302	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+Cl"	34.969402
"1277307"	187.016702	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Cl"	34.969402
"18768"	341.043206	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M-2H+K"	36.948606
"458331"	493.090506	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M-2H+K"	36.948606
"840507"	188.995906	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-2H+K"	36.948606
"1569467"	188.995906	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+K-2H"	36.948606
"950792"	197.045494	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-H+HCOOH"	44.998194
"373017"	349.092801	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+HCOOH-H"	44.998201
"356170"	363.108451	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+Hac-H"	59.013851
"1502817"	211.061151	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Hac-H"	59.013851
"969263"	219.027451	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-H+NaCOOH"	66.980151
"117080"	187.016702	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+2Cl"	69.938804
"563939"	263.040352	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+2Cl"	69.938804
"1036022"	110.993052	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2Cl"	69.938804
"1255593"	230.966185	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Br"	78.918885
"1316947"	233.022172	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Cl+HCOOH"	80.974872
"1324971"	255.004129	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Cl+NaCOOH"	102.956829
"918217"	265.032886	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M-H+CF3COOH"	112.985586
"1298209"	301.009564	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Cl+CF3COOH"	148.962264
"1374182"	117.034624	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H-2H2O"	-35.012676
"1385118"	135.0446	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H-H2O"	-17.0027
"285167"	305.101876	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+H"	1.007276
"680505"	457.149176	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+H"	1.007276
"1357949"	153.054576	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H"	1.007276
"129745"	153.054576	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+2H"	2.014552
"576964"	229.078226	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+2H"	2.014552
"1049044"	77.030926	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2H"	2.014552
"211476"	102.372142666667	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+3H"	3.021828
"651035"	153.054576	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+3H"	3.021828
"1166974"	51.6897093333333	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+3H"	3.021828
"429153"	322.128423	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+NH4"	18.033823
"785744"	474.175723	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+NH4"	18.033823
"1684660"	170.081123	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+NH4"	18.033823
"334032"	161.5678495	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+H+NH4"	19.041099
"727911"	237.5914995	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+H+NH4"	19.041099
"1479544"	85.5441995	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H+NH4"	19.041099
"394579"	327.083818	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+Na"	22.989218
"755938"	479.131118	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+Na"	22.989218
"1605128"	175.036518	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Na"	22.989218
"327557"	164.045547	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+H+Na"	23.996494
"721802"	240.069197	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+H+Na"	23.996494
"1469426"	88.021897	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H+Na"	23.996494
"1058298"	59.0170233333333	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2H+Na"	25.00377
"1262165"	185.080786	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+CH3OH+H"	33.033486
"378186"	343.057758	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+K"	38.963158
"741735"	495.105058	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+K"	38.963158
"1541965"	191.010458	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+K"	38.963158
"300239"	172.032517	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+H+K"	39.970434
"691682"	248.056167	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+H+K"	39.970434
"1445748"	96.008867	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H+K"	39.970434
"239454"	346.128426	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+ACN+H"	42.033826
"1213257"	194.081126	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+ACN+H"	42.033826
"1197876"	97.544201	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+ACN+2H"	43.041102
"198402"	349.06576	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+2Na-H"	44.97116
"635776"	501.11306	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+2Na-H"	44.97116
"1140374"	197.01846	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2Na-H"	44.97116
"179293"	175.036518	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+2Na"	45.978436
"623226"	251.060168	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+2Na"	45.978436
"1122359"	99.012868	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2Na"	45.978436
"1403694"	66.3443373333333	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H+2Na"	46.985712
"1432894"	199.060046	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H+HCOOH"	47.012746
"223321"	180.06954	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+3H2O+2H"	56.04448
"1511382"	213.11209	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+IsoProp+H"	61.06479
"411796"	183.023488	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+Na+K"	61.952376
"774247"	259.047138	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+Na+K"	61.952376
"1668025"	106.999838	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Na+K"	61.952376
"254544"	368.110368	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+ACN+Na"	64.015768
"1228718"	216.063068	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+ACN+Na"	64.015768
"1717612"	216.086593	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+NH4+HCOOH"	64.039293
"1185154"	73.6716513333333	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+3Na"	68.967654
"1658328"	221.041988	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Na+HCOOH"	68.994688
"165189"	381.01364	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+2K-H"	76.91904
"603656"	533.06094	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+2K-H"	76.91904
"1090354"	228.96634	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2K-H"	76.91904
"151546"	191.010458	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"2M+2K"	77.926316
"588919"	267.034108	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"3M+2K"	77.926316
"1079990"	114.986808	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2K"	77.926316
"1108828"	230.980892	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2K+H"	78.933592
"1340842"	231.068507	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+DMSO+H"	79.021207
"1013750"	235.107676	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2ACN+H"	83.060376
"1536250"	236.101308	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+IsoProp+Na+H"	84.054008
"995045"	118.057476	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+2ACN+2H"	84.067652
"1600848"	237.015928	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+K+HCOOH"	84.968628
"1426142"	267.047438	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+H+CF3COOH"	115.000138
"1153153"	138.570751	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+3ACN+2H"	125.094202
"1710356"	284.073985	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+NH4+CF3COOH"	132.026685
"1649287"	289.02938	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+Na+CF3COOH"	136.98208
"1586030"	305.00332	"C21167"	"4-Hydroxy-3-methylbenzoate;4-Hydroxy-m-toluate"	"C8H8O3"	"152.0473"	"M+K+CF3COOH"	152.95602
"806553"	182.0215	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M"	0
"978992"	163.00311	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-H2O-H"	-19.01839
"63953"	120.340390666667	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M-3H"	-3.021828
"503142"	181.014224	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M-3H"	-3.021828
"880224"	59.6665573333333	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-3H"	-3.021828
"72"	181.014224	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M-2H"	-2.014552
"452580"	272.024974	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M-2H"	-2.014552
"829288"	90.003474	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-2H"	-2.014552
"85998"	363.035724	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M-H"	-1.007276
"526654"	545.057224	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M-H"	-1.007276
"902270"	181.014224	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-H"	-1.007276
"53367"	380.062271	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M-2H+NH4"	16.019271
"491832"	562.083771	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M-2H+NH4"	16.019271
"871823"	198.040771	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-2H+NH4"	16.019271
"35350"	385.017666	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M-2H+Na"	20.974666
"480378"	567.039166	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M-2H+Na"	20.974666
"861096"	202.996166	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-2H+Na"	20.974666
"1630992"	202.996166	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Na-2H"	20.974666
"106428"	199.002563	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M-H+Cl"	33.962126
"538332"	290.013313	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M-H+Cl"	33.962126
"936222"	107.991813	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-H+Cl"	33.962126
"274777"	399.012402	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+Cl"	34.969402
"665012"	581.033902	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+Cl"	34.969402
"1280698"	216.990902	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Cl"	34.969402
"19974"	400.991606	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M-2H+K"	36.948606
"461721"	583.013106	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M-2H+K"	36.948606
"840617"	218.970106	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-2H+K"	36.948606
"1568848"	218.970106	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+K-2H"	36.948606
"950902"	227.019694	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-H+HCOOH"	44.998194
"374951"	409.041201	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+HCOOH-H"	44.998201
"355188"	423.056851	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+Hac-H"	59.013851
"1499647"	241.035351	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Hac-H"	59.013851
"969373"	249.001651	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-H+NaCOOH"	66.980151
"118282"	216.990902	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+2Cl"	69.938804
"556749"	308.001652	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+2Cl"	69.938804
"1031748"	125.980152	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2Cl"	69.938804
"1252784"	260.940385	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Br"	78.918885
"1315598"	262.996372	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Cl+HCOOH"	80.974872
"1325081"	284.978329	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Cl+NaCOOH"	102.956829
"917234"	295.007086	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M-H+CF3COOH"	112.985586
"1297226"	330.983764	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Cl+CF3COOH"	148.962264
"1374292"	147.008824	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H-2H2O"	-35.012676
"1384499"	165.0188	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H-H2O"	-17.0027
"284184"	365.050276	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+H"	1.007276
"680615"	547.071776	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+H"	1.007276
"1356966"	183.028776	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H"	1.007276
"129855"	183.028776	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+2H"	2.014552
"573794"	274.039526	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+2H"	2.014552
"1048059"	92.018026	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2H"	2.014552
"214866"	122.354942666667	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+3H"	3.021828
"651145"	183.028776	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+3H"	3.021828
"1167084"	61.6811093333333	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+3H"	3.021828
"429263"	382.076823	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+NH4"	18.033823
"785682"	564.098323	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+NH4"	18.033823
"1683676"	200.055323	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+NH4"	18.033823
"332683"	191.5420495	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+H+NH4"	19.041099
"724010"	282.5527995	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+H+NH4"	19.041099
"1477234"	100.5312995	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H+NH4"	19.041099
"392997"	387.032218	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+Na"	22.989218
"755318"	569.053718	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+Na"	22.989218
"1605238"	205.010718	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Na"	22.989218
"325480"	194.019747	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+H+Na"	23.996494
"719846"	285.030497	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+H+Na"	23.996494
"1469536"	103.008997	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H+Na"	23.996494
"1061688"	69.0084233333333	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2H+Na"	25.00377
"1260816"	215.054986	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+CH3OH+H"	33.033486
"377568"	403.006158	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+K"	38.963158
"739293"	585.027658	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+K"	38.963158
"1540982"	220.984658	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+K"	38.963158
"299985"	202.006717	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+H+K"	39.970434
"692035"	293.017467	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+H+K"	39.970434
"1446100"	110.995967	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H+K"	39.970434
"237378"	406.076826	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+ACN+H"	42.033826
"1210936"	224.055326	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+ACN+H"	42.033826
"1196526"	112.531301	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+ACN+2H"	43.041102
"195231"	409.01416	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+2Na-H"	44.97116
"631145"	591.03566	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+2Na-H"	44.97116
"1139391"	226.99266	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2Na-H"	44.97116
"180859"	205.010718	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+2Na"	45.978436
"615315"	296.021468	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+2Na"	45.978436
"1115902"	113.999968	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2Na"	45.978436
"1400522"	76.3357373333333	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H+2Na"	46.985712
"1435556"	229.034246	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H+HCOOH"	47.012746
"223430"	210.04374	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+3H2O+2H"	56.04448
"1511856"	243.08629	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+IsoProp+H"	61.06479
"412271"	212.997688	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+Na+K"	61.952376
"770713"	304.008438	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+Na+K"	61.952376
"1667042"	121.986938	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Na+K"	61.952376
"254654"	428.058768	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+ACN+Na"	64.015768
"1227735"	246.037268	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+ACN+Na"	64.015768
"1723190"	246.060793	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+NH4+HCOOH"	64.039293
"1186358"	83.6630513333333	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+3Na"	68.967654
"1658438"	251.016188	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Na+HCOOH"	68.994688
"165300"	440.96204	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+2K-H"	76.91904
"603766"	622.98354	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+2K-H"	76.91904
"1092650"	258.94054	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2K-H"	76.91904
"151656"	220.984658	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"2M+2K"	77.926316
"591215"	311.995408	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"3M+2K"	77.926316
"1081193"	129.973908	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2K"	77.926316
"1111124"	260.955092	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2K+H"	78.933592
"1340952"	261.042707	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+DMSO+H"	79.021207
"1017140"	265.081876	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2ACN+H"	83.060376
"1536360"	266.075508	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+IsoProp+Na+H"	84.054008
"1001714"	133.044576	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+2ACN+2H"	84.067652
"1601323"	266.990128	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+K+HCOOH"	84.968628
"1428440"	297.021638	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+H+CF3COOH"	115.000138
"1153263"	153.557851	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+3ACN+2H"	125.094202
"1710466"	314.048185	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+NH4+CF3COOH"	132.026685
"1649397"	319.00358	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+Na+CF3COOH"	136.98208
"1586140"	334.97752	"C21168"	"4-Hydroxyisophthalate;4-Hydroxy-13-benzenedicarboxylate"	"C8H6O5"	"182.0215"	"M+K+CF3COOH"	152.95602
"806663"	437.2315	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M"	0
"979102"	418.21311	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-H2O-H"	-19.01839
"64063"	290.480390666667	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M-3H"	-3.021828
"503370"	436.224224	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M-3H"	-3.021828
"880167"	144.736557333333	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-3H"	-3.021828
"1095"	436.224224	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M-2H"	-2.014552
"452689"	654.839974	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M-2H"	-2.014552
"829765"	217.608474	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-2H"	-2.014552
"85015"	873.455724	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M-H"	-1.007276
"526764"	1310.687224	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M-H"	-1.007276
"901287"	436.224224	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-H"	-1.007276
"53477"	890.482271	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M-2H+NH4"	16.019271
"495223"	1327.713771	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M-2H+NH4"	16.019271
"875579"	453.250771	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-2H+NH4"	16.019271
"39834"	895.437666	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M-2H+Na"	20.974666
"483040"	1332.669166	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M-2H+Na"	20.974666
"861206"	458.206166	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-2H+Na"	20.974666
"1628916"	458.206166	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Na-2H"	20.974666
"105445"	454.212563	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M-H+Cl"	33.962126
"538442"	672.828313	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M-H+Cl"	33.962126
"933052"	235.596813	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-H+Cl"	33.962126
"274888"	909.432402	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+Cl"	34.969402
"662936"	1346.663902	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+Cl"	34.969402
"1280808"	472.200902	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Cl"	34.969402
"18990"	911.411606	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M-2H+K"	36.948606
"469494"	1348.643106	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M-2H+K"	36.948606
"844740"	474.180106	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-2H+K"	36.948606
"1567866"	474.180106	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+K-2H"	36.948606
"956482"	482.229694	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-H+HCOOH"	44.998194
"373969"	919.461201	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+HCOOH-H"	44.998201
"357123"	933.476851	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+Hac-H"	59.013851
"1504497"	496.245351	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Hac-H"	59.013851
"967297"	504.211651	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-H+NaCOOH"	66.980151
"116206"	472.200902	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+2Cl"	69.938804
"557955"	690.816652	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+2Cl"	69.938804
"1031494"	253.585152	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2Cl"	69.938804
"1252894"	516.150385	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Br"	78.918885
"1313155"	518.206372	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Cl+HCOOH"	80.974872
"1325191"	540.188329	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Cl+NaCOOH"	102.956829
"914789"	550.217086	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M-H+CF3COOH"	112.985586
"1297336"	586.193764	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Cl+CF3COOH"	148.962264
"1374402"	402.218824	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H-2H2O"	-35.012676
"1385338"	420.2288	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H-H2O"	-17.0027
"284658"	875.470276	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+H"	1.007276
"681818"	1312.701776	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+H"	1.007276
"1358169"	438.238776	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H"	1.007276
"129965"	438.238776	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+2H"	2.014552
"572811"	656.854526	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+2H"	2.014552
"1047076"	219.623026	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2H"	2.014552
"213883"	292.494942666667	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+3H"	3.021828
"652349"	438.238776	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+3H"	3.021828
"1167194"	146.751109333333	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+3H"	3.021828
"429373"	892.496823	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+NH4"	18.033823
"787088"	1329.728323	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+NH4"	18.033823
"1684879"	455.265323	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+NH4"	18.033823
"330970"	446.7520495	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+H+NH4"	19.041099
"723146"	665.3677995	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+H+NH4"	19.041099
"1477329"	228.1362995	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H+NH4"	19.041099
"394067"	897.452218	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+Na"	22.989218
"756156"	1334.683718	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+Na"	22.989218
"1605349"	460.220718	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Na"	22.989218
"325590"	449.229747	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+H+Na"	23.996494
"718013"	667.845497	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+H+Na"	23.996494
"1469646"	230.613997	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H+Na"	23.996494
"1060705"	154.078423333333	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2H+Na"	25.00377
"1261292"	470.264986	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+CH3OH+H"	33.033486
"377679"	913.426158	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+K"	38.963158
"739768"	1350.657658	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+K"	38.963158
"1541092"	476.194658	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+K"	38.963158
"299487"	457.216717	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+H+K"	39.970434
"692995"	675.832467	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+H+K"	39.970434
"1446819"	238.600967	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H+K"	39.970434
"238217"	916.496826	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+ACN+H"	42.033826
"1211651"	479.265326	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+ACN+H"	42.033826
"1195543"	240.136301	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+ACN+2H"	43.041102
"195341"	919.43416	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+2Na-H"	44.97116
"631255"	1356.66566	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+2Na-H"	44.97116
"1139501"	482.20266	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2Na-H"	44.97116
"181698"	460.220718	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+2Na"	45.978436
"617612"	678.836468	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+2Na"	45.978436
"1118565"	241.604968	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2Na"	45.978436
"1399902"	161.405737333333	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H+2Na"	46.985712
"1432020"	484.244246	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H+HCOOH"	47.012746
"220624"	465.25374	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+3H2O+2H"	56.04448
"1513789"	498.29629	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+IsoProp+H"	61.06479
"412381"	468.207688	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+Na+K"	61.952376
"773741"	686.823438	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+Na+K"	61.952376
"1666787"	249.591938	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Na+K"	61.952376
"255495"	938.478768	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+ACN+Na"	64.015768
"1228936"	501.247268	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+ACN+Na"	64.015768
"1714915"	501.270793	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+NH4+HCOOH"	64.039293
"1186468"	168.733051333333	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+3Na"	68.967654
"1659641"	506.226188	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Na+HCOOH"	68.994688
"167596"	951.38204	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+2K-H"	76.91904
"603876"	1388.61354	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+2K-H"	76.91904
"1090574"	514.15054	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2K-H"	76.91904
"146298"	476.194658	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"2M+2K"	77.926316
"589138"	694.810408	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"3M+2K"	77.926316
"1078023"	257.578908	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2K"	77.926316
"1105767"	516.165092	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2K+H"	78.933592
"1345437"	516.252707	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+DMSO+H"	79.021207
"1017982"	520.291876	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2ACN+H"	83.060376
"1537202"	521.285508	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+IsoProp+Na+H"	84.054008
"1003284"	260.649576	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+2ACN+2H"	84.067652
"1601799"	522.200128	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+K+HCOOH"	84.968628
"1429735"	552.231638	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+H+CF3COOH"	115.000138
"1156653"	281.162851	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+3ACN+2H"	125.094202
"1710576"	569.258185	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+NH4+CF3COOH"	132.026685
"1649389"	574.21358	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+Na+CF3COOH"	136.98208
"1586250"	590.18752	"C21169"	"N1N8-Bis(4-coumaroyl)spermidine;N1N10-Dicoumaroyl spermidine"	"C25H31N3O4"	"437.2315"	"M+K+CF3COOH"	152.95602
"806773"	557.2737	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M"	0
"979212"	538.25531	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-H2O-H"	-19.01839
"63360"	370.508524	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M-3H"	-3.021828
"503523"	556.266424	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M-3H"	-3.021828
"880436"	184.750624	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-3H"	-3.021828
"712"	556.266424	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M-2H"	-2.014552
"452799"	834.903274	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M-2H"	-2.014552
"825133"	277.629574	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-2H"	-2.014552
"85125"	1113.540124	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M-H"	-1.007276
"526873"	1670.813824	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M-H"	-1.007276
"901397"	556.266424	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-H"	-1.007276
"56868"	1130.566671	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M-2H+NH4"	16.019271
"494240"	1687.840371	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M-2H+NH4"	16.019271
"876661"	573.292971	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-2H+NH4"	16.019271
"39944"	1135.522066	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M-2H+Na"	20.974666
"480598"	1692.795766	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M-2H+Na"	20.974666
"861316"	578.248366	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-2H+Na"	20.974666
"1624651"	578.248366	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Na-2H"	20.974666
"103366"	574.254763	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M-H+Cl"	33.962126
"537459"	852.891613	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M-H+Cl"	33.962126
"934255"	295.617913	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-H+Cl"	33.962126
"274998"	1149.516802	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+Cl"	34.969402
"664139"	1706.790502	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+Cl"	34.969402
"1280918"	592.243102	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Cl"	34.969402
"20193"	1151.496006	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M-2H+K"	36.948606
"470213"	1708.769706	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M-2H+K"	36.948606
"847036"	594.222306	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-2H+K"	36.948606
"1569069"	594.222306	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+K-2H"	36.948606
"955502"	602.271894	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-H+HCOOH"	44.998194
"374444"	1159.545601	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+HCOOH-H"	44.998201
"357233"	1173.561251	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+Hac-H"	59.013851
"1504971"	616.287551	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Hac-H"	59.013851
"967406"	624.253851	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-H+NaCOOH"	66.980151
"117409"	592.243102	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+2Cl"	69.938804
"559158"	870.879952	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+2Cl"	69.938804
"1033425"	313.606252	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2Cl"	69.938804
"1251911"	636.192585	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Br"	78.918885
"1314358"	638.248572	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Cl+HCOOH"	80.974872
"1326395"	660.230529	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Cl+NaCOOH"	102.956829
"918544"	670.259286	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M-H+CF3COOH"	112.985586
"1295259"	706.235964	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Cl+CF3COOH"	148.962264
"1374512"	522.261024	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H-2H2O"	-35.012676
"1386541"	540.271	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H-H2O"	-17.0027
"286228"	1115.554676	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+H"	1.007276
"681931"	1672.828376	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+H"	1.007276
"1361560"	558.280976	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H"	1.007276
"128979"	558.280976	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+2H"	2.014552
"577293"	836.917826	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+2H"	2.014552
"1044997"	279.644126	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2H"	2.014552
"215085"	372.523076	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+3H"	3.021828
"655739"	558.280976	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+3H"	3.021828
"1173864"	186.765176	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+3H"	3.021828
"429483"	1132.581223	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+NH4"	18.033823
"788657"	1689.854923	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+NH4"	18.033823
"1684989"	575.307523	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+NH4"	18.033823
"334362"	566.7942495	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+H+NH4"	19.041099
"724228"	845.4310995	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+H+NH4"	19.041099
"1478169"	288.1573995	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H+NH4"	19.041099
"393814"	1137.536618	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+Na"	22.989218
"758091"	1694.810318	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+Na"	22.989218
"1606187"	580.262918	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Na"	22.989218
"323514"	569.271947	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+H+Na"	23.996494
"711564"	847.908797	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+H+Na"	23.996494
"1466840"	290.635097	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H+Na"	23.996494
"1063001"	194.09249	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2H+Na"	25.00377
"1264680"	590.307186	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+CH3OH+H"	33.033486
"378271"	1153.510558	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+K"	38.963158
"740603"	1710.784258	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+K"	38.963158
"1541200"	596.236858	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+K"	38.963158
"300201"	577.258917	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+H+K"	39.970434
"692983"	855.895767	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+H+K"	39.970434
"1446561"	298.622067	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H+K"	39.970434
"238326"	1156.581226	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+ACN+H"	42.033826
"1211398"	599.307526	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+ACN+H"	42.033826
"1197475"	300.157401	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+ACN+2H"	43.041102
"191804"	1159.51856	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+2Na-H"	44.97116
"632458"	1716.79226	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+2Na-H"	44.97116
"1136330"	602.24486	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2Na-H"	44.97116
"181808"	580.262918	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+2Na"	45.978436
"613589"	858.899768	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+2Na"	45.978436
"1116115"	301.626068	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2Na"	45.978436
"1402930"	201.419804	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H+2Na"	46.985712
"1432130"	604.286446	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H+HCOOH"	47.012746
"223650"	585.29594	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+3H2O+2H"	56.04448
"1513899"	618.33849	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+IsoProp+H"	61.06479
"412127"	588.249888	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+Na+K"	61.952376
"773122"	866.886738	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+Na+K"	61.952376
"1668723"	309.613038	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Na+K"	61.952376
"254148"	1178.563168	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+ACN+Na"	64.015768
"1228685"	621.289468	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+ACN+Na"	64.015768
"1715749"	621.312993	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+NH4+HCOOH"	64.039293
"1189858"	208.747118	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+3Na"	68.967654
"1655376"	626.268388	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Na+HCOOH"	68.994688
"162238"	1191.46644	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+2K-H"	76.91904
"602891"	1748.74014	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+2K-H"	76.91904
"1088494"	634.19274	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2K-H"	76.91904
"147501"	596.236858	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"2M+2K"	77.926316
"589248"	874.873708	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"3M+2K"	77.926316
"1075947"	317.600008	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2K"	77.926316
"1103691"	636.207292	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2K+H"	78.933592
"1344454"	636.294907	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+DMSO+H"	79.021207
"1020403"	640.334076	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2ACN+H"	83.060376
"1538287"	641.327708	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+IsoProp+Na+H"	84.054008
"1004123"	320.670676	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+2ACN+2H"	84.067652
"1601792"	642.242328	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+K+HCOOH"	84.968628
"1429028"	672.273838	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+H+CF3COOH"	115.000138
"1160043"	341.183951	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+3ACN+2H"	125.094202
"1710686"	689.300385	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+NH4+CF3COOH"	132.026685
"1649781"	694.25578	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+Na+CF3COOH"	136.98208
"1586360"	710.22972	"C21170"	"N1N8-Bis(sinapoyl)spermidine;N1N10-Disinapoyl spermidine"	"C29H39N3O8"	"557.2737"	"M+K+CF3COOH"	152.95602
"803605"	2360.3445	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M"	0
"980420"	2341.32611	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-H2O-H"	-19.01839
"66476"	1572.555724	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M-3H"	-3.021828
"506399"	2359.337224	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M-3H"	-3.021828
"894779"	785.774224	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-3H"	-3.021828
"8980"	2359.337224	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M-2H"	-2.014552
"449632"	3539.509474	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M-2H"	-2.014552
"828531"	1179.164974	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-2H"	-2.014552
"85243"	4719.681724	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M-H"	-1.007276
"525897"	7080.026224	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M-H"	-1.007276
"899324"	2359.337224	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-H"	-1.007276
"54793"	4736.708271	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M-2H+NH4"	16.019271
"493260"	7097.052771	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M-2H+NH4"	16.019271
"872155"	2376.363771	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-2H+NH4"	16.019271
"42242"	4741.663666	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M-2H+Na"	20.974666
"483989"	7102.008166	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M-2H+Na"	20.974666
"861790"	2381.319166	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-2H+Na"	20.974666
"1626950"	2381.319166	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Na-2H"	20.974666
"101293"	2377.325563	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M-H+Cl"	33.962126
"541946"	3557.497813	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M-H+Cl"	33.962126
"932179"	1197.153313	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-H+Cl"	33.962126
"271827"	4755.658402	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+Cl"	34.969402
"664250"	7116.002902	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+Cl"	34.969402
"1287602"	2395.313902	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Cl"	34.969402
"30517"	4757.637606	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M-2H+K"	36.948606
"470571"	7117.982106	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M-2H+K"	36.948606
"843146"	2397.293106	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-2H+K"	36.948606
"1567729"	2397.293106	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+K-2H"	36.948606
"951237"	2405.342694	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-H+HCOOH"	44.998194
"367265"	4765.687201	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+HCOOH-H"	44.998201
"357710"	4779.702851	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+Hac-H"	59.013851
"1508004"	2419.358351	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Hac-H"	59.013851
"972263"	2427.324651	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-H+NaCOOH"	66.980151
"124576"	2395.313902	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+2Cl"	69.938804
"564749"	3575.486152	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+2Cl"	69.938804
"1036091"	1215.141652	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2Cl"	69.938804
"1247652"	2439.263385	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Br"	78.918885
"1310100"	2441.319372	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Cl+HCOOH"	80.974872
"1325410"	2463.301329	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Cl+NaCOOH"	102.956829
"918655"	2473.330086	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M-H+CF3COOH"	112.985586
"1296459"	2509.306764	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Cl+CF3COOH"	148.962264
"1381182"	2325.331824	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H-2H2O"	-35.012676
"1394308"	2343.3418	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H-H2O"	-17.0027
"289618"	4721.696276	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+H"	1.007276
"682038"	7082.040776	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+H"	1.007276
"1357293"	2361.351776	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H"	1.007276
"132370"	2361.351776	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+2H"	2.014552
"570838"	3541.524026	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+2H"	2.014552
"1040730"	1181.179526	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2H"	2.014552
"208632"	1574.570276	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+3H"	3.021828
"651476"	2361.351776	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+3H"	3.021828
"1166320"	787.788776	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+3H"	3.021828
"428499"	4738.722823	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+NH4"	18.033823
"792048"	7099.067323	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+NH4"	18.033823
"1685828"	2378.378323	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+NH4"	18.033823
"335199"	2369.8650495	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+H+NH4"	19.041099
"723609"	3550.0372995	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+H+NH4"	19.041099
"1478645"	1189.6927995	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H+NH4"	19.041099
"395378"	4743.678218	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+Na"	22.989218
"764395"	7104.022718	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+Na"	22.989218
"1615774"	2383.333718	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Na"	22.989218
"325811"	2372.342747	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+H+Na"	23.996494
"711670"	3552.514997	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+H+Na"	23.996494
"1468774"	1192.170497	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H+Na"	23.996494
"1056914"	795.11609	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2H+Na"	25.00377
"1260051"	2393.377986	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+CH3OH+H"	33.033486
"378257"	4759.652158	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+K"	38.963158
"740348"	7119.996658	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+K"	38.963158
"1541674"	2399.307658	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+K"	38.963158
"301404"	2380.329717	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+H+K"	39.970434
"693096"	3560.501967	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+H+K"	39.970434
"1446185"	1200.157467	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H+K"	39.970434
"237343"	4762.722826	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+ACN+H"	42.033826
"1210291"	2402.378326	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+ACN+H"	42.033826
"1194419"	1201.692801	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+ACN+2H"	43.041102
"190455"	4765.66016	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+2Na-H"	44.97116
"633662"	7126.00466	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+2Na-H"	44.97116
"1137896"	2405.31566	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2Na-H"	44.97116
"184107"	2383.333718	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+2Na"	45.978436
"620022"	3563.505968	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+2Na"	45.978436
"1121706"	1203.161468	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2Na"	45.978436
"1401218"	802.443404	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H+2Na"	46.985712
"1433334"	2407.357246	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H+HCOOH"	47.012746
"220842"	2388.36674	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+3H2O+2H"	56.04448
"1510730"	2421.40929	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+IsoProp+H"	61.06479
"411509"	2391.320688	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+Na+K"	61.952376
"779069"	3571.492938	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+Na+K"	61.952376
"1668474"	1211.148438	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Na+K"	61.952376
"252565"	4784.704768	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+ACN+Na"	64.015768
"1228066"	2424.360268	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+ACN+Na"	64.015768
"1722426"	2424.383793	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+NH4+HCOOH"	64.039293
"1180854"	809.770718	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+3Na"	68.967654
"1658767"	2429.339188	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Na+HCOOH"	68.994688
"165629"	4797.60804	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+2K-H"	76.91904
"600813"	7157.95254	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+2K-H"	76.91904
"1091890"	2437.26354	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2K-H"	76.91904
"146153"	2399.307658	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"2M+2K"	77.926316
"588269"	3579.479908	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"3M+2K"	77.926316
"1076062"	1219.135408	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2K"	77.926316
"1112556"	2439.278092	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2K+H"	78.933592
"1347846"	2439.365707	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+DMSO+H"	79.021207
"1016375"	2443.404876	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2ACN+H"	83.060376
"1534503"	2444.398508	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+IsoProp+Na+H"	84.054008
"998763"	1222.206076	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+2ACN+2H"	84.067652
"1593267"	2445.313128	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+K+HCOOH"	84.968628
"1421113"	2475.344638	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+H+CF3COOH"	115.000138
"1153588"	1242.719351	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+3ACN+2H"	125.094202
"1702048"	2492.371185	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+NH4+CF3COOH"	132.026685
"1643166"	2497.32658	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+Na+CF3COOH"	136.98208
"1576631"	2513.30052	"C21173"	"PEtN-KDO2-lipid A;7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid A"	"C112H208N3O42P3"	"2360.3445"	"M+K+CF3COOH"	152.95602
"804808"	1967.9791	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M"	0
"980530"	1948.96071	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-H2O-H"	-19.01839
"67679"	1310.97879066667	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M-3H"	-3.021828
"505416"	1966.971824	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M-3H"	-3.021828
"895557"	654.985757333333	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-3H"	-3.021828
"15292"	1966.971824	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M-2H"	-2.014552
"454852"	2950.961374	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M-2H"	-2.014552
"831194"	982.982274	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-2H"	-2.014552
"91185"	3934.950924	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M-H"	-1.007276
"532205"	5902.930024	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M-H"	-1.007276
"907089"	1966.971824	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-H"	-1.007276
"57090"	3951.977471	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M-2H+NH4"	16.019271
"500661"	5919.956571	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M-2H+NH4"	16.019271
"875548"	1983.998371	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-2H+NH4"	16.019271
"44542"	3956.932866	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M-2H+Na"	20.974666
"485193"	5924.911966	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M-2H+Na"	20.974666
"856432"	1988.953766	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-2H+Na"	20.974666
"1627061"	1988.953766	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Na-2H"	20.974666
"102498"	1984.960163	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M-H+Cl"	33.962126
"542056"	2968.949713	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M-H+Cl"	33.962126
"933382"	1000.970613	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-H+Cl"	33.962126
"270844"	3970.927602	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+Cl"	34.969402
"665453"	5938.906702	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+Cl"	34.969402
"1288086"	2002.948502	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Cl"	34.969402
"30795"	3972.906806	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M-2H+K"	36.948606
"470554"	5940.885906	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M-2H+K"	36.948606
"848000"	2004.927706	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-2H+K"	36.948606
"1566747"	2004.927706	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+K-2H"	36.948606
"956088"	2012.977294	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-H+HCOOH"	44.998194
"374669"	3980.956401	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+HCOOH-H"	44.998201
"361267"	3994.972051	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+Hac-H"	59.013851
"1507749"	2026.992951	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Hac-H"	59.013851
"973467"	2034.959251	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-H+NaCOOH"	66.980151
"125416"	2002.948502	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+2Cl"	69.938804
"564852"	2986.938052	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+2Cl"	69.938804
"1035478"	1018.958952	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2Cl"	69.938804
"1245579"	2046.897985	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Br"	78.918885
"1308027"	2048.953972	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Cl+HCOOH"	80.974872
"1328805"	2070.935929	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Cl+NaCOOH"	102.956829
"920957"	2080.964686	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M-H+CF3COOH"	112.985586
"1295478"	2116.941364	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Cl+CF3COOH"	148.962264
"1374734"	1932.966424	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H-2H2O"	-35.012676
"1392230"	1950.9764	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H-H2O"	-17.0027
"290822"	3936.965476	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+H"	1.007276
"676683"	5904.944576	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+H"	1.007276
"1358502"	1968.986376	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H"	1.007276
"137951"	1968.986376	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+2H"	2.014552
"578605"	2952.975926	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+2H"	2.014552
"1049593"	984.996826	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2H"	2.014552
"210936"	1312.99334266667	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+3H"	3.021828
"645023"	1968.986376	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+3H"	3.021828
"1164608"	657.000309333333	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+3H"	3.021828
"427519"	3953.992023	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+NH4"	18.033823
"789974"	5921.971123	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+NH4"	18.033823
"1686669"	1986.012923	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+NH4"	18.033823
"330570"	1977.4996495	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+H+NH4"	19.041099
"724815"	2961.4891995	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+H+NH4"	19.041099
"1478999"	993.5100995	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H+NH4"	19.041099
"393180"	3958.947418	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+Na"	22.989218
"756122"	5926.926518	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+Na"	22.989218
"1605679"	1990.968318	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Na"	22.989218
"325921"	1979.977347	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+H+Na"	23.996494
"715063"	2963.966897	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+H+Na"	23.996494
"1464144"	995.987797	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H+Na"	23.996494
"1054838"	664.327623333333	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2H+Na"	25.00377
"1258461"	2001.012586	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+CH3OH+H"	33.033486
"379100"	3974.921358	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+K"	38.963158
"740459"	5942.900458	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+K"	38.963158
"1541425"	2006.942258	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+K"	38.963158
"299692"	1987.964317	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+H+K"	39.970434
"692238"	2971.953867	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+H+K"	39.970434
"1446301"	1003.974767	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H+K"	39.970434
"240011"	3977.992026	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+ACN+H"	42.033826
"1220011"	2010.012926	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+ACN+H"	42.033826
"1198061"	1005.510101	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+ACN+2H"	43.041102
"193119"	3980.92936	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+2Na-H"	44.97116
"633773"	5948.90846	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+2Na-H"	44.97116
"1140197"	2012.95026	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2Na-H"	44.97116
"178019"	1990.968318	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+2Na"	45.978436
"615392"	2974.957868	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+2Na"	45.978436
"1117439"	1006.978768	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2Na"	45.978436
"1400963"	671.654937333333	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H+2Na"	46.985712
"1431620"	2014.991846	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H+HCOOH"	47.012746
"227152"	1996.00134	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+3H2O+2H"	56.04448
"1514123"	2029.04389	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+IsoProp+H"	61.06479
"411254"	1998.955288	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+Na+K"	61.952376
"775899"	2982.944838	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+Na+K"	61.952376
"1667855"	1014.965738	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Na+K"	61.952376
"252675"	3999.973968	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+ACN+Na"	64.015768
"1227087"	2031.994868	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+ACN+Na"	64.015768
"1720350"	2032.018393	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+NH4+HCOOH"	64.039293
"1183882"	678.982251333333	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+3Na"	68.967654
"1661064"	2036.973788	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Na+HCOOH"	68.994688
"164647"	4012.87724	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+2K-H"	76.91904
"610776"	5980.85634	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+2K-H"	76.91904
"1095281"	2044.89814	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2K-H"	76.91904
"146631"	2006.942258	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"2M+2K"	77.926316
"591659"	2990.931808	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"3M+2K"	77.926316
"1078360"	1022.952708	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2K"	77.926316
"1113760"	2046.912692	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2K+H"	78.933592
"1347956"	2047.000307	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+DMSO+H"	79.021207
"1017944"	2051.039476	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2ACN+H"	83.060376
"1536437"	2052.033108	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+IsoProp+Na+H"	84.054008
"1001062"	1026.023376	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+2ACN+2H"	84.067652
"1595567"	2052.947728	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+K+HCOOH"	84.968628
"1424506"	2082.979238	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+H+CF3COOH"	115.000138
"1160261"	1046.536651	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+3ACN+2H"	125.094202
"1707625"	2100.005785	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+NH4+CF3COOH"	132.026685
"1645464"	2104.96118	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+Na+CF3COOH"	136.98208
"1576741"	2120.93512	"C21174"	"PEtN-KDO2-lipid IV(A);7-O-Ethanolaminephospho-alpha-Kdo-(2-4)-alpha-Kdo-(2-6)-lipid IV(A)"	"C86H160N3O40P3"	"1967.9791"	"M+K+CF3COOH"	152.95602
"803825"	931.1626	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M"	0
"978452"	912.14421	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-H2O-H"	-19.01839
"65601"	619.767790666667	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M-3H"	-3.021828
"503339"	930.155324	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M-3H"	-3.021828
"891717"	309.380257333333	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-3H"	-3.021828
"13573"	930.155324	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M-2H"	-2.014552
"448759"	1395.736624	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M-2H"	-2.014552
"831667"	464.574024	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-2H"	-2.014552
"86553"	1861.317924	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M-H"	-1.007276
"529032"	2792.480524	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M-H"	-1.007276
"907199"	930.155324	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-H"	-1.007276
"57200"	1878.344471	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M-2H+NH4"	16.019271
"498947"	2809.507071	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M-2H+NH4"	16.019271
"870189"	947.181871	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-2H+NH4"	16.019271
"39184"	1883.299866	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M-2H+Na"	20.974666
"483845"	2814.462466	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M-2H+Na"	20.974666
"856542"	952.137266	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-2H+Na"	20.974666
"1626078"	952.137266	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Na-2H"	20.974666
"100421"	948.143663	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M-H+Cl"	33.962126
"539979"	1413.724963	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M-H+Cl"	33.962126
"933492"	482.562363	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-H+Cl"	33.962126
"270955"	1897.294602	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+Cl"	34.969402
"667750"	2828.457202	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+Cl"	34.969402
"1288273"	966.132002	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Cl"	34.969402
"30864"	1899.273806	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M-2H+K"	36.948606
"468837"	2830.436406	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M-2H+K"	36.948606
"847742"	968.111206	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-2H+K"	36.948606
"1566857"	968.111206	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+K-2H"	36.948606
"954376"	976.160794	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-H+HCOOH"	44.998194
"373685"	1907.323401	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+HCOOH-H"	44.998201
"359027"	1921.339051	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+Hac-H"	59.013851
"1504579"	990.176451	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Hac-H"	59.013851
"963372"	998.142751	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-H+NaCOOH"	66.980151
"121029"	966.132002	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+2Cl"	69.938804
"565293"	1431.713302	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+2Cl"	69.938804
"1036929"	500.550702	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2Cl"	69.938804
"1246780"	1010.081485	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Br"	78.918885
"1309229"	1012.137472	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Cl+HCOOH"	80.974872
"1326728"	1034.119429	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Cl+NaCOOH"	102.956829
"917787"	1044.148186	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M-H+CF3COOH"	112.985586
"1295588"	1080.124864	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Cl+CF3COOH"	148.962264
"1373751"	896.149924	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H-2H2O"	-35.012676
"1393433"	914.1599	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H-H2O"	-17.0027
"290933"	1863.332476	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+H"	1.007276
"676791"	2794.495076	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+H"	1.007276
"1358612"	932.169876	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H"	1.007276
"139154"	932.169876	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+2H"	2.014552
"580297"	1397.751176	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+2H"	2.014552
"1049704"	466.588576	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2H"	2.014552
"210317"	621.782342666667	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+3H"	3.021828
"645131"	932.169876	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+3H"	3.021828
"1165811"	311.394809333333	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+3H"	3.021828
"429451"	1880.359023	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+NH4"	18.033823
"789717"	2811.521623	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+NH4"	18.033823
"1685320"	949.196423	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+NH4"	18.033823
"331410"	940.6831495	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+H+NH4"	19.041099
"724197"	1406.2644495	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+H+NH4"	19.041099
"1480934"	475.1018495	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H+NH4"	19.041099
"393050"	1885.314418	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+Na"	22.989218
"756232"	2816.477018	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+Na"	22.989218
"1605425"	954.151818	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Na"	22.989218
"322751"	943.160847	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+H+Na"	23.996494
"712986"	1408.742147	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+H+Na"	23.996494
"1464618"	477.579547	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H+Na"	23.996494
"1055312"	318.722123333333	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2H+Na"	25.00377
"1258814"	964.196086	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+CH3OH+H"	33.033486
"379575"	1901.288358	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+K"	38.963158
"739842"	2832.450958	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+K"	38.963158
"1540117"	970.125758	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+K"	38.963158
"298760"	951.147817	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+H+K"	39.970434
"692588"	1416.729117	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+H+K"	39.970434
"1446778"	485.566517	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H+K"	39.970434
"240850"	1904.359026	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+ACN+H"	42.033826
"1215381"	973.196426	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+ACN+H"	42.033826
"1197077"	487.101851	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+ACN+2H"	43.041102
"195416"	1907.29636	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+2Na-H"	44.97116
"638986"	2838.45896	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+2Na-H"	44.97116
"1135567"	976.13376	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2Na-H"	44.97116
"178130"	954.151818	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+2Na"	45.978436
"616231"	1419.733118	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+2Na"	45.978436
"1117911"	488.570518	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2Na"	45.978436
"1401073"	326.049437333333	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H+2Na"	46.985712
"1431122"	978.175346	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H+HCOOH"	47.012746
"228355"	959.18484	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+3H2O+2H"	56.04448
"1514233"	992.22739	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+IsoProp+H"	61.06479
"411730"	962.138788	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+Na+K"	61.952376
"774915"	1427.720088	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+Na+K"	61.952376
"1667236"	496.557488	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Na+K"	61.952376
"252661"	1926.340968	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+ACN+Na"	64.015768
"1227315"	995.178368	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+ACN+Na"	64.015768
"1717543"	995.201893	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+NH4+HCOOH"	64.039293
"1179251"	333.376751333333	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+3Na"	68.967654
"1651696"	1000.157288	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Na+HCOOH"	68.994688
"162932"	1939.24424	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+2K-H"	76.91904
"611610"	2870.40684	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+2K-H"	76.91904
"1094297"	1008.08164	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2K-H"	76.91904
"146741"	970.125758	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"2M+2K"	77.926316
"587394"	1435.707058	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"3M+2K"	77.926316
"1078470"	504.544458	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2K"	77.926316
"1112046"	1010.096192	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2K+H"	78.933592
"1348066"	1010.183807	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+DMSO+H"	79.021207
"1018054"	1014.222976	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2ACN+H"	83.060376
"1537640"	1015.216608	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+IsoProp+Na+H"	84.054008
"1001171"	507.615126	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+2ACN+2H"	84.067652
"1595677"	1016.131228	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+K+HCOOH"	84.968628
"1423523"	1046.162738	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+H+CF3COOH"	115.000138
"1157091"	528.128401	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+3ACN+2H"	125.094202
"1704454"	1063.189285	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+NH4+CF3COOH"	132.026685
"1645571"	1068.14468	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+Na+CF3COOH"	136.98208
"1576851"	1084.11862	"C21175"	"Dihydrocaffeoyl-CoA;3-(34-Dihydroxyphenyl)propanoyl-CoA;Hydrocaffeyl-CoA"	"C30H44N7O19P3S"	"931.1626"	"M+K+CF3COOH"	152.95602
"803935"	452.2118	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M"	0
"978562"	433.19341	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-H2O-H"	-19.01839
"65711"	300.467257333333	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M-3H"	-3.021828
"503691"	451.204524	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M-3H"	-3.021828
"890734"	149.729990666667	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-3H"	-3.021828
"13319"	451.204524	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M-2H"	-2.014552
"446682"	677.310424	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M-2H"	-2.014552
"830563"	225.098624	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-2H"	-2.014552
"86663"	903.416324	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M-H"	-1.007276
"529142"	1355.628124	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M-H"	-1.007276
"905122"	451.204524	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-H"	-1.007276
"56217"	920.442871	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M-2H+NH4"	16.019271
"494683"	1372.654671	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M-2H+NH4"	16.019271
"870299"	468.231071	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-2H+NH4"	16.019271
"37107"	925.398266	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M-2H+Na"	20.974666
"481039"	1377.610066	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M-2H+Na"	20.974666
"857745"	473.186466	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-2H+Na"	20.974666
"1626188"	473.186466	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Na-2H"	20.974666
"100531"	469.192863	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M-H+Cl"	33.962126
"540089"	695.298763	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M-H+Cl"	33.962126
"934695"	243.086963	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-H+Cl"	33.962126
"272158"	939.393002	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+Cl"	34.969402
"670046"	1391.604802	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+Cl"	34.969402
"1282090"	487.181202	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Cl"	34.969402
"25740"	941.372206	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M-2H+K"	36.948606
"466761"	1393.584006	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M-2H+K"	36.948606
"846030"	489.160406	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-2H+K"	36.948606
"1566967"	489.160406	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+K-2H"	36.948606
"953392"	497.209994	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-H+HCOOH"	44.998194
"371608"	949.421801	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+HCOOH-H"	44.998201
"357679"	963.437451	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+Hac-H"	59.013851
"1502502"	511.225651	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Hac-H"	59.013851
"961295"	519.191951	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-H+NaCOOH"	66.980151
"122232"	487.181202	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+2Cl"	69.938804
"565630"	713.287102	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+2Cl"	69.938804
"1037012"	261.075302	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2Cl"	69.938804
"1245797"	531.130685	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Br"	78.918885
"1308246"	533.186672	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Cl+HCOOH"	80.974872
"1326838"	555.168629	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Cl+NaCOOH"	102.956829
"917897"	565.197386	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M-H+CF3COOH"	112.985586
"1295698"	601.174064	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Cl+CF3COOH"	148.962264
"1374954"	417.199124	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H-2H2O"	-35.012676
"1394636"	435.2091	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H-H2O"	-17.0027
"289950"	905.430876	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+H"	1.007276
"677995"	1357.642676	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+H"	1.007276
"1355441"	453.219076	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H"	1.007276
"129423"	453.219076	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+2H"	2.014552
"573357"	679.324976	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+2H"	2.014552
"1051515"	227.113176	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2H"	2.014552
"212248"	302.481809333333	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+3H"	3.021828
"645970"	453.219076	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+3H"	3.021828
"1164463"	151.744542666667	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+3H"	3.021828
"430290"	922.457423	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+NH4"	18.033823
"789827"	1374.669223	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+NH4"	18.033823
"1685430"	470.245623	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+NH4"	18.033823
"332248"	461.7323495	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+H+NH4"	19.041099
"723943"	687.8382495	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+H+NH4"	19.041099
"1481044"	235.6264495	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H+NH4"	19.041099
"393197"	927.412818	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+Na"	22.989218
"755977"	1379.624618	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+Na"	22.989218
"1604804"	475.201018	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Na"	22.989218
"320674"	464.210047	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+H+Na"	23.996494
"714190"	690.315947	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+H+Na"	23.996494
"1464729"	238.104147	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H+Na"	23.996494
"1054695"	159.071856666667	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2H+Na"	25.00377
"1259652"	485.245286	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+CH3OH+H"	33.033486
"377898"	943.386758	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+K"	38.963158
"738936"	1395.598558	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+K"	38.963158
"1540912"	491.174958	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+K"	38.963158
"299214"	472.197017	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+H+K"	39.970434
"691920"	698.302917	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+H+K"	39.970434
"1447612"	246.091117	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H+K"	39.970434
"237679"	946.457426	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+ACN+H"	42.033826
"1210222"	494.245626	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+ACN+H"	42.033826
"1194244"	247.626451	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+ACN+2H"	43.041102
"188795"	949.39476	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+2Na-H"	44.97116
"629618"	1401.60656	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+2Na-H"	44.97116
"1131470"	497.18296	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2Na-H"	44.97116
"173538"	475.201018	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+2Na"	45.978436
"613092"	701.306918	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+2Na"	45.978436
"1115658"	249.095118	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2Na"	45.978436
"1398488"	166.399170666667	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H+2Na"	46.985712
"1429924"	499.224546	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H+HCOOH"	47.012746
"228465"	480.23404	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+3H2O+2H"	56.04448
"1515435"	513.27659	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+IsoProp+H"	61.06479
"411839"	483.187988	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+Na+K"	61.952376
"776118"	709.293888	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+Na+K"	61.952376
"1666982"	257.082088	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Na+K"	61.952376
"252404"	968.439368	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+ACN+Na"	64.015768
"1226940"	516.227568	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+ACN+Na"	64.015768
"1717653"	516.251093	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+NH4+HCOOH"	64.039293
"1178752"	173.726484666667	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+3Na"	68.967654
"1651806"	521.206488	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Na+HCOOH"	68.994688
"160126"	981.34264	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+2K-H"	76.91904
"609897"	1433.55444	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+2K-H"	76.91904
"1091490"	529.13084	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2K-H"	76.91904
"145758"	491.174958	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"2M+2K"	77.926316
"587504"	717.280858	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"3M+2K"	77.926316
"1078216"	265.069058	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2K"	77.926316
"1109969"	531.145392	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2K+H"	78.933592
"1346354"	531.233007	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+DMSO+H"	79.021207
"1017800"	535.272176	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2ACN+H"	83.060376
"1537750"	536.265808	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+IsoProp+Na+H"	84.054008
"1001281"	268.139726	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+2ACN+2H"	84.067652
"1595787"	537.180428	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+K+HCOOH"	84.968628
"1423633"	567.211938	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+H+CF3COOH"	115.000138
"1157201"	288.653001	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+3ACN+2H"	125.094202
"1704564"	584.238485	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+NH4+CF3COOH"	132.026685
"1645681"	589.19388	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+Na+CF3COOH"	136.98208
"1576961"	605.16782	"C21176"	"3-Oxoribostamycin"	"C17H32N4O10"	"452.2118"	"M+K+CF3COOH"	152.95602
"808421"	242.0096	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M"	0
"989834"	222.99121	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-H2O-H"	-19.01839
"66921"	160.332457333333	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M-3H"	-3.021828
"513041"	241.002324	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M-3H"	-3.021828
"895065"	79.6625906666667	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-3H"	-3.021828
"15136"	241.002324	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M-2H"	-2.014552
"450079"	362.007124	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M-2H"	-2.014552
"822412"	119.997524	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-2H"	-2.014552
"82767"	483.011924	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M-H"	-1.007276
"523059"	725.021524	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M-H"	-1.007276
"900859"	241.002324	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-H"	-1.007276
"49768"	500.038471	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M-2H+NH4"	16.019271
"493702"	742.048071	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M-2H+NH4"	16.019271
"868224"	258.028871	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-2H+NH4"	16.019271
"33208"	504.993866	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M-2H+Na"	20.974666
"480060"	747.003466	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M-2H+Na"	20.974666
"855674"	262.984266	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-2H+Na"	20.974666
"1627394"	262.984266	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Na-2H"	20.974666
"102828"	258.990663	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M-H+Cl"	33.962126
"540198"	379.995463	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M-H+Cl"	33.962126
"942400"	137.985863	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-H+Cl"	33.962126
"282128"	518.988602	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+Cl"	34.969402
"674796"	760.998202	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+Cl"	34.969402
"1285856"	276.979002	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Cl"	34.969402
"19665"	520.967806	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M-2H+K"	36.948606
"462505"	762.977406	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M-2H+K"	36.948606
"835933"	278.958206	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-2H+K"	36.948606
"1567076"	278.958206	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+K-2H"	36.948606
"948398"	287.007794	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-H+HCOOH"	44.998194
"367707"	529.017401	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+HCOOH-H"	44.998201
"355966"	543.033051	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+Hac-H"	59.013851
"1502248"	301.023451	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Hac-H"	59.013851
"965780"	308.989751	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-H+NaCOOH"	66.980151
"116871"	276.979002	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+2Cl"	69.938804
"558619"	397.983802	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+2Cl"	69.938804
"1030701"	155.974202	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2Cl"	69.938804
"1250280"	320.928485	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Br"	78.918885
"1310541"	322.984472	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Cl+HCOOH"	80.974872
"1324029"	344.966429	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Cl+NaCOOH"	102.956829
"922380"	354.995186	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M-H+CF3COOH"	112.985586
"1295808"	390.971864	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Cl+CF3COOH"	148.962264
"1379435"	206.996924	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H-2H2O"	-35.012676
"1392558"	225.0069	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H-H2O"	-17.0027
"292246"	485.026476	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+H"	1.007276
"686853"	727.036076	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+H"	1.007276
"1359921"	243.016876	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H"	1.007276
"129897"	243.016876	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+2H"	2.014552
"568729"	364.021676	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+2H"	2.014552
"1042995"	122.012076	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2H"	2.014552
"209439"	162.347009333333	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+3H"	3.021828
"656291"	243.016876	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+3H"	3.021828
"1171135"	81.6771426666667	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+3H"	3.021828
"430398"	502.053023	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+NH4"	18.033823
"793584"	744.062623	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+NH4"	18.033823
"1691008"	260.043423	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+NH4"	18.033823
"336735"	251.5301495	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+H+NH4"	19.041099
"729154"	372.5349495	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+H+NH4"	19.041099
"1484069"	130.5253495	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H+NH4"	19.041099
"396551"	507.008418	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+Na"	22.989218
"760462"	749.018018	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+Na"	22.989218
"1614027"	264.998818	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Na"	22.989218
"325158"	254.007847	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+H+Na"	23.996494
"714300"	375.012647	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+H+Na"	23.996494
"1466298"	133.003047	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H+Na"	23.996494
"1054441"	89.0044566666667	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2H+Na"	25.00377
"1261950"	275.043086	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+CH3OH+H"	33.033486
"381619"	522.982358	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+K"	38.963158
"739005"	764.991958	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+K"	38.963158
"1542480"	280.972758	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+K"	38.963158
"301843"	261.994817	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+H+K"	39.970434
"692075"	382.999617	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+H+K"	39.970434
"1448089"	140.990017	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H+K"	39.970434
"239972"	526.053026	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+ACN+H"	42.033826
"1217059"	284.043426	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+ACN+H"	42.033826
"1200213"	142.525351	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+ACN+2H"	43.041102
"189435"	528.99036	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+2Na-H"	44.97116
"631916"	770.99996	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+2Na-H"	44.97116
"1131691"	286.98076	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2Na-H"	44.97116
"173479"	264.998818	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+2Na"	45.978436
"613162"	386.003618	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+2Na"	45.978436
"1116426"	143.994018	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2Na"	45.978436
"1399100"	96.3317706666667	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H+2Na"	46.985712
"1436698"	289.022346	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H+HCOOH"	47.012746
"229673"	270.03184	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+3H2O+2H"	56.04448
"1511174"	303.07439	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+IsoProp+H"	61.06479
"412318"	272.985788	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+Na+K"	61.952376
"772947"	393.990588	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+Na+K"	61.952376
"1668184"	151.980988	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Na+K"	61.952376
"253248"	548.034968	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+ACN+Na"	64.015768
"1232885"	306.025368	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+ACN+Na"	64.015768
"1722866"	306.048893	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+NH4+HCOOH"	64.039293
"1187491"	103.659084666667	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+3Na"	68.967654
"1650253"	311.004288	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Na+HCOOH"	68.994688
"157180"	560.93824	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+2K-H"	76.91904
"599066"	802.94784	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+2K-H"	76.91904
"1087225"	318.92864	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2K-H"	76.91904
"151337"	280.972758	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"2M+2K"	77.926316
"588711"	401.977558	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"3M+2K"	77.926316
"1076504"	159.967958	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2K"	77.926316
"1112267"	320.943192	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2K+H"	78.933592
"1341725"	321.030807	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+DMSO+H"	79.021207
"1012442"	325.069976	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2ACN+H"	83.060376
"1531663"	326.063608	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+IsoProp+Na+H"	84.054008
"998110"	163.038626	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+2ACN+2H"	84.067652
"1593708"	326.978228	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+K+HCOOH"	84.968628
"1418274"	357.009738	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+H+CF3COOH"	115.000138
"1154032"	183.551901	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+3ACN+2H"	125.094202
"1705770"	374.036285	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+NH4+CF3COOH"	132.026685
"1640327"	378.99168	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+Na+CF3COOH"	136.98208
"1586915"	394.96562	"C21180"	"2-Dehydro-36-dideoxy-6-sulfo-D-gluconate;2-Keto-36-dideoxy-6-sulfogluconate"	"C6H10O8S"	"242.0096"	"M+K+CF3COOH"	152.95602
"807438"	153.9936	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M"	0
"989117"	134.97521	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H2O-H"	-19.01839
"67031"	101.655124	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-3H"	-3.021828
"513151"	152.986324	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-3H"	-3.021828
"888768"	50.323924	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-3H"	-3.021828
"6250"	152.986324	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H"	-2.014552
"453955"	229.983124	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H"	-2.014552
"827991"	75.989524	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H"	-2.014552
"81784"	306.979924	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-H"	-1.007276
"523169"	460.973524	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-H"	-1.007276
"899876"	152.986324	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H"	-1.007276
"49878"	324.006471	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H+NH4"	16.019271
"493812"	478.000071	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H+NH4"	16.019271
"870521"	170.012871	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H+NH4"	16.019271
"33196"	328.961866	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H+Na"	20.974666
"480171"	482.955466	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H+Na"	20.974666
"854691"	174.968266	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H+Na"	20.974666
"1624224"	174.968266	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na-2H"	20.974666
"102938"	170.974663	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-H+Cl"	33.962126
"537029"	247.971463	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-H+Cl"	33.962126
"941981"	93.977863	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+Cl"	33.962126
"282077"	342.956602	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Cl"	34.969402
"674166"	496.950202	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+Cl"	34.969402
"1280498"	188.963002	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl"	34.969402
"21962"	344.935806	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M-2H+K"	36.948606
"459335"	498.929406	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M-2H+K"	36.948606
"833978"	190.942206	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-2H+K"	36.948606
"1565000"	190.942206	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K-2H"	36.948606
"948508"	198.991794	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+HCOOH"	44.998194
"367817"	352.985401	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+HCOOH-H"	44.998201
"353889"	367.001051	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Hac-H"	59.013851
"1497255"	213.007451	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Hac-H"	59.013851
"965890"	220.973751	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+NaCOOH"	66.980151
"116981"	188.963002	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2Cl"	69.938804
"552168"	265.959802	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2Cl"	69.938804
"1023157"	111.966202	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2Cl"	69.938804
"1249297"	232.912485	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Br"	78.918885
"1306278"	234.968472	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl+HCOOH"	80.974872
"1321223"	256.950429	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl+NaCOOH"	102.956829
"922490"	266.979186	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M-H+CF3COOH"	112.985586
"1293731"	302.955864	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Cl+CF3COOH"	148.962264
"1374078"	118.980924	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H-2H2O"	-35.012676
"1393761"	136.9909	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H-H2O"	-17.0027
"291263"	308.994476	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H"	1.007276
"689150"	462.988076	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H"	1.007276
"1360031"	155.000876	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H"	1.007276
"132923"	155.000876	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2H"	2.014552
"567740"	231.997676	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2H"	2.014552
"1039460"	78.004076	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2H"	2.014552
"206632"	103.669676	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+3H"	3.021828
"648745"	155.000876	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+3H"	3.021828
"1168330"	52.338476	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+3H"	3.021828
"429416"	326.021023	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+NH4"	18.033823
"794424"	480.014623	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+NH4"	18.033823
"1689661"	172.027423	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+NH4"	18.033823
"335022"	163.5141495	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H+NH4"	19.041099
"732545"	240.5109495	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H+NH4"	19.041099
"1480898"	86.5173495	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+NH4"	19.041099
"396661"	330.976418	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Na"	22.989218
"760572"	484.970018	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+Na"	22.989218
"1616323"	176.982818	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na"	22.989218
"324174"	165.991847	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H+Na"	23.996494
"712587"	242.988647	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H+Na"	23.996494
"1463857"	88.995047	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+Na"	23.996494
"1056739"	59.66579	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2H+Na"	25.00377
"1259873"	187.027086	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+CH3OH+H"	33.033486
"379544"	346.950358	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+K"	38.963158
"738956"	500.943958	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+K"	38.963158
"1541499"	192.956758	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K"	38.963158
"301955"	173.978817	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+H+K"	39.970434
"694375"	250.975617	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+H+K"	39.970434
"1448199"	96.982017	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+K"	39.970434
"238989"	350.021026	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+ACN+H"	42.033826
"1217169"	196.027426	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+ACN+H"	42.033826
"1198866"	98.517351	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+ACN+2H"	43.041102
"189909"	352.95836	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2Na-H"	44.97116
"632755"	506.95196	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2Na-H"	44.97116
"1135167"	198.96476	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2Na-H"	44.97116
"174077"	176.982818	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2Na"	45.978436
"614370"	253.979618	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2Na"	45.978436
"1117876"	99.986018	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2Na"	45.978436
"1399574"	66.993104	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+2Na"	46.985712
"1436808"	201.006346	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+HCOOH"	47.012746
"229783"	182.01584	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+3H2O+2H"	56.04448
"1511283"	215.05839	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+IsoProp+H"	61.06479
"410241"	184.969788	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+Na+K"	61.952376
"771964"	261.966588	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+Na+K"	61.952376
"1668295"	107.972988	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na+K"	61.952376
"257005"	372.002968	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+ACN+Na"	64.015768
"1230079"	218.009368	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+ACN+Na"	64.015768
"1718237"	218.032893	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+NH4+HCOOH"	64.039293
"1181039"	74.320418	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+3Na"	68.967654
"1651659"	222.988288	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na+HCOOH"	68.994688
"157670"	384.90624	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2K-H"	76.91904
"597716"	538.89984	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2K-H"	76.91904
"1084536"	230.91264	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2K-H"	76.91904
"141722"	192.956758	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"2M+2K"	77.926316
"582377"	269.953558	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"3M+2K"	77.926316
"1068749"	115.959958	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2K"	77.926316
"1102170"	232.927192	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2K+H"	78.933592
"1338553"	233.014807	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+DMSO+H"	79.021207
"1008176"	237.053976	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2ACN+H"	83.060376
"1531771"	238.047608	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+IsoProp+Na+H"	84.054008
"994939"	119.030626	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+2ACN+2H"	84.067652
"1587069"	238.962228	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K+HCOOH"	84.968628
"1414491"	268.993738	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+H+CF3COOH"	115.000138
"1148307"	139.543901	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+3ACN+2H"	125.094202
"1698588"	286.020285	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+NH4+CF3COOH"	132.026685
"1634277"	290.97568	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+Na+CF3COOH"	136.98208
"1580464"	306.94962	"C21181"	"(2S)-3-Sulfolactaldehyde"	"C3H6O5S"	"153.9936"	"M+K+CF3COOH"	152.95602
"807548"	260.0202	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M"	0
"988739"	241.00181	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-H2O-H"	-19.01839
"64954"	172.339524	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M-3H"	-3.021828
"513261"	259.012924	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M-3H"	-3.021828
"885598"	85.666124	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-3H"	-3.021828
"4172"	259.012924	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M-2H"	-2.014552
"454549"	389.023024	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M-2H"	-2.014552
"830286"	129.002824	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-2H"	-2.014552
"90281"	519.033124	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M-H"	-1.007276
"527654"	779.053324	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M-H"	-1.007276
"899256"	259.012924	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-H"	-1.007276
"54362"	536.059671	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M-2H+NH4"	16.019271
"496110"	796.079871	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M-2H+NH4"	16.019271
"869538"	276.039471	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-2H+NH4"	16.019271
"34157"	541.015066	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M-2H+Na"	20.974666
"480281"	801.035266	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M-2H+Na"	20.974666
"855894"	280.994866	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-2H+Na"	20.974666
"1623240"	280.994866	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Na-2H"	20.974666
"103048"	277.001263	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M-H+Cl"	33.962126
"538232"	407.011363	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M-H+Cl"	33.962126
"933938"	146.991163	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-H+Cl"	33.962126
"282656"	555.009802	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+Cl"	34.969402
"674518"	815.030002	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+Cl"	34.969402
"1280608"	294.989602	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Cl"	34.969402
"25352"	556.989006	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M-2H+K"	36.948606
"457258"	817.009206	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M-2H+K"	36.948606
"837247"	296.968806	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-2H+K"	36.948606
"1565110"	296.968806	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+K-2H"	36.948606
"945338"	305.018394	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-H+HCOOH"	44.998194
"366834"	565.038601	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+HCOOH-H"	44.998201
"352905"	579.054251	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+Hac-H"	59.013851
"1498458"	319.034051	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Hac-H"	59.013851
"960532"	327.000351	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-H+NaCOOH"	66.980151
"112718"	294.989602	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+2Cl"	69.938804
"551306"	424.999702	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+2Cl"	69.938804
"1021440"	164.979502	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2Cl"	69.938804
"1243937"	338.939085	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Br"	78.918885
"1305658"	340.995072	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Cl+HCOOH"	80.974872
"1320360"	362.977029	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Cl+NaCOOH"	102.956829
"922600"	373.005786	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M-H+CF3COOH"	112.985586
"1293841"	408.982464	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Cl+CF3COOH"	148.962264
"1375281"	225.007524	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H-2H2O"	-35.012676
"1392778"	243.0175	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H-H2O"	-17.0027
"289186"	521.047676	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+H"	1.007276
"688167"	781.067876	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+H"	1.007276
"1359048"	261.027476	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H"	1.007276
"129753"	261.027476	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+2H"	2.014552
"566513"	391.037576	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+2H"	2.014552
"1038474"	131.017376	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2H"	2.014552
"206012"	174.354076	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+3H"	3.021828
"645937"	261.027476	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+3H"	3.021828
"1168076"	87.680676	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+3H"	3.021828
"431348"	538.074223	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+NH4"	18.033823
"793804"	798.094423	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+NH4"	18.033823
"1689771"	278.054023	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+NH4"	18.033823
"334767"	269.5407495	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+H+NH4"	19.041099
"730468"	399.5508495	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+H+NH4"	19.041099
"1482102"	139.5306495	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H+NH4"	19.041099
"396408"	543.029618	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+Na"	22.989218
"761776"	803.049818	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+Na"	22.989218
"1614246"	283.009418	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Na"	22.989218
"324284"	272.018447	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+H+Na"	23.996494
"713426"	402.028547	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+H+Na"	23.996494
"1462875"	142.008347	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H+Na"	23.996494
"1055028"	95.00799	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2H+Na"	25.00377
"1259983"	293.053686	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+CH3OH+H"	33.033486
"381840"	559.003558	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+K"	38.963158
"739551"	819.023758	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+K"	38.963158
"1542702"	298.983358	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+K"	38.963158
"302065"	280.005417	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+H+K"	39.970434
"695578"	410.015517	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+H+K"	39.970434
"1447337"	149.995317	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H+K"	39.970434
"239099"	562.074226	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+ACN+H"	42.033826
"1218372"	302.054026	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+ACN+H"	42.033826
"1200069"	151.530651	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+ACN+2H"	43.041102
"189170"	565.01156	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+2Na-H"	44.97116
"632501"	825.03176	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+2Na-H"	44.97116
"1134913"	304.99136	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2Na-H"	44.97116
"176379"	283.009418	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+2Na"	45.978436
"615573"	413.019518	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+2Na"	45.978436
"1118350"	152.999318	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2Na"	45.978436
"1401873"	102.335304	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H+2Na"	46.985712
"1434720"	307.032946	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H+HCOOH"	47.012746
"221379"	288.04244	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+3H2O+2H"	56.04448
"1514672"	321.08499	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+IsoProp+H"	61.06479
"411079"	290.996388	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+Na+K"	61.952376
"772074"	421.006488	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+Na+K"	61.952376
"1667432"	160.986288	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Na+K"	61.952376
"258208"	584.056168	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+ACN+Na"	64.015768
"1232011"	324.035968	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+ACN+Na"	64.015768
"1716160"	324.059493	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+NH4+HCOOH"	64.039293
"1181149"	109.662618	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+3Na"	68.967654
"1651160"	329.014888	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Na+HCOOH"	68.994688
"158262"	596.95944	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+2K-H"	76.91904
"600377"	856.97964	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+2K-H"	76.91904
"1084767"	336.93924	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2K-H"	76.91904
"142073"	298.983358	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"2M+2K"	77.926316
"584555"	428.993458	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"3M+2K"	77.926316
"1072347"	168.973258	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2K"	77.926316
"1102280"	338.953792	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2K+H"	78.933592
"1338663"	339.041407	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+DMSO+H"	79.021207
"1007314"	343.080576	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2ACN+H"	83.060376
"1528601"	344.074208	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+IsoProp+Na+H"	84.054008
"995049"	172.043926	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+2ACN+2H"	84.067652
"1587481"	344.988828	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+K+HCOOH"	84.968628
"1414844"	375.020338	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+H+CF3COOH"	115.000138
"1147364"	192.557201	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+3ACN+2H"	125.094202
"1697969"	392.046885	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+NH4+CF3COOH"	132.026685
"1634383"	397.00228	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+Na+CF3COOH"	136.98208
"1580574"	412.97622	"C21182"	"6-Deoxy-6-sulfo-D-gluconate;6-Deoxy-6-sulfogluconate"	"C6H12O9S"	"260.0202"	"M+K+CF3COOH"	152.95602
"807658"	370.1416	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M"	0
"989674"	351.12321	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-H2O-H"	-19.01839
"77092"	245.753790666667	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M-3H"	-3.021828
"515558"	369.134324	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M-3H"	-3.021828
"891175"	122.373257333333	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-3H"	-3.021828
"5376"	369.134324	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M-2H"	-2.014552
"455229"	554.205124	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M-2H"	-2.014552
"831854"	184.063524	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-2H"	-2.014552
"87108"	739.275924	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M-H"	-1.007276
"527762"	1109.417524	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M-H"	-1.007276
"910308"	369.134324	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-H"	-1.007276
"58846"	756.302471	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M-2H+NH4"	16.019271
"498407"	1126.444071	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M-2H+NH4"	16.019271
"870741"	386.160871	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-2H+NH4"	16.019271
"33295"	761.257866	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M-2H+Na"	20.974666
"482578"	1131.399466	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M-2H+Na"	20.974666
"857097"	391.116266	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-2H+Na"	20.974666
"1626630"	391.116266	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Na-2H"	20.974666
"103158"	387.122663	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M-H+Cl"	33.962126
"538342"	572.193463	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M-H+Cl"	33.962126
"936235"	202.051863	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-H+Cl"	33.962126
"282810"	775.252602	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+Cl"	34.969402
"673778"	1145.394202	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+Cl"	34.969402
"1285092"	405.111002	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Cl"	34.969402
"24368"	777.231806	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M-2H+K"	36.948606
"462835"	1147.373406	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M-2H+K"	36.948606
"837357"	407.090206	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-2H+K"	36.948606
"1565220"	407.090206	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+K-2H"	36.948606
"950915"	415.139794	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-H+HCOOH"	44.998194
"365850"	785.281401	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+HCOOH-H"	44.998201
"347547"	799.297051	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+Hac-H"	59.013851
"1499661"	429.155451	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Hac-H"	59.013851
"966108"	437.121751	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-H+NaCOOH"	66.980151
"112827"	405.111002	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+2Cl"	69.938804
"555668"	590.181802	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+2Cl"	69.938804
"1022404"	220.040202	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2Cl"	69.938804
"1243318"	449.060485	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Br"	78.918885
"1305040"	451.116472	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Cl+HCOOH"	80.974872
"1320509"	473.098429	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Cl+NaCOOH"	102.956829
"918335"	483.127186	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M-H+CF3COOH"	112.985586
"1293951"	519.103864	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Cl+CF3COOH"	148.962264
"1373204"	335.128924	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H-2H2O"	-35.012676
"1390701"	353.1389	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H-H2O"	-17.0027
"291483"	741.290476	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+H"	1.007276
"688277"	1111.432076	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+H"	1.007276
"1358065"	371.148876	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H"	1.007276
"133143"	371.148876	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+2H"	2.014552
"568692"	556.219676	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+2H"	2.014552
"1040043"	186.078076	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2H"	2.014552
"206610"	247.768342666667	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+3H"	3.021828
"648966"	371.148876	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+3H"	3.021828
"1167092"	124.387809333333	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+3H"	3.021828
"429636"	758.317023	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+NH4"	18.033823
"795737"	1128.458623	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+NH4"	18.033823
"1690974"	388.175423	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+NH4"	18.033823
"334878"	379.6621495	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+H+NH4"	19.041099
"730578"	564.7329495	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+H+NH4"	19.041099
"1483306"	194.5913495	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H+NH4"	19.041099
"395424"	763.272418	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+Na"	22.989218
"758605"	1133.414018	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+Na"	22.989218
"1608888"	393.130818	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Na"	22.989218
"321112"	382.139847	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+H+Na"	23.996494
"714629"	567.210647	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+H+Na"	23.996494
"1465168"	197.069047	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H+Na"	23.996494
"1054772"	131.715123333333	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2H+Na"	25.00377
"1260455"	403.175086	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+CH3OH+H"	33.033486
"378666"	779.246358	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+K"	38.963158
"739417"	1149.387958	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+K"	38.963158
"1540340"	409.104758	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+K"	38.963158
"301081"	390.126817	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+H+K"	39.970434
"692407"	575.197617	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+H+K"	39.970434
"1445865"	205.056017	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H+K"	39.970434
"237750"	782.317026	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+ACN+H"	42.033826
"1211312"	412.175426	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+ACN+H"	42.033826
"1202366"	206.591351	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+ACN+2H"	43.041102
"191953"	785.25436	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+2Na-H"	44.97116
"631516"	1155.39596	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+2Na-H"	44.97116
"1135022"	415.11276	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2Na-H"	44.97116
"173934"	393.130818	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+2Na"	45.978436
"616047"	578.201618	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+2Na"	45.978436
"1117731"	208.060018	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2Na"	45.978436
"1408181"	139.042437333333	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H+2Na"	46.985712
"1433735"	417.154346	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H+HCOOH"	47.012746
"221609"	398.16384	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+3H2O+2H"	56.04448
"1515875"	431.20639	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+IsoProp+H"	61.06479
"412283"	401.117788	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+Na+K"	61.952376
"776558"	586.188588	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+Na+K"	61.952376
"1667422"	216.046988	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Na+K"	61.952376
"258318"	804.298968	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+ACN+Na"	64.015768
"1232485"	434.157368	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+ACN+Na"	64.015768
"1716270"	434.180893	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+NH4+HCOOH"	64.039293
"1181623"	146.369751333333	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+3Na"	68.967654
"1652609"	439.136288	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Na+HCOOH"	68.994688
"158863"	817.20224	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+2K-H"	76.91904
"602677"	1187.34384	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+2K-H"	76.91904
"1085731"	447.06064	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2K-H"	76.91904
"142307"	409.104758	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"2M+2K"	77.926316
"586852"	594.175558	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"3M+2K"	77.926316
"1072457"	224.033958	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2K"	77.926316
"1102754"	449.075192	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2K+H"	78.933592
"1338773"	449.162807	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+DMSO+H"	79.021207
"1009490"	453.201976	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2ACN+H"	83.060376
"1529804"	454.195608	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+IsoProp+Na+H"	84.054008
"995159"	227.104626	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+2ACN+2H"	84.067652
"1587592"	455.110228	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+K+HCOOH"	84.968628
"1415320"	485.141738	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+H+CF3COOH"	115.000138
"1149986"	247.617901	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+3ACN+2H"	125.094202
"1698079"	502.168285	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+NH4+CF3COOH"	132.026685
"1634822"	507.12368	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+Na+CF3COOH"	136.98208
"1580684"	523.09762	"C21183"	"Bursehernin;(-)-Bursehernin;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(34-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O6"	"370.1416"	"M+K+CF3COOH"	152.95602
"812143"	386.1366	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M"	0
"987868"	367.11821	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-H2O-H"	-19.01839
"73922"	256.417124	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M-3H"	-3.021828
"508015"	385.129324	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M-3H"	-3.021828
"891286"	127.704924	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-3H"	-3.021828
"8767"	385.129324	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M-2H"	-2.014552
"455015"	578.197624	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M-2H"	-2.014552
"832211"	192.061024	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-2H"	-2.014552
"90499"	771.265924	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M-H"	-1.007276
"528966"	1157.402524	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M-H"	-1.007276
"909202"	385.129324	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-H"	-1.007276
"58956"	788.292471	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M-2H+NH4"	16.019271
"494143"	1174.429071	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M-2H+NH4"	16.019271
"870851"	402.155871	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-2H+NH4"	16.019271
"32312"	793.247866	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M-2H+Na"	20.974666
"481594"	1179.384466	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M-2H+Na"	20.974666
"856115"	407.111266	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-2H+Na"	20.974666
"1627834"	407.111266	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Na-2H"	20.974666
"103268"	403.117663	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M-H+Cl"	33.962126
"540640"	596.185963	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M-H+Cl"	33.962126
"937438"	210.049363	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-H+Cl"	33.962126
"282037"	807.242602	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+Cl"	34.969402
"671702"	1193.379202	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+Cl"	34.969402
"1284109"	421.106002	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Cl"	34.969402
"23385"	809.221806	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M-2H+K"	36.948606
"462945"	1195.358406	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M-2H+K"	36.948606
"837467"	423.085206	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-2H+K"	36.948606
"1565330"	423.085206	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+K-2H"	36.948606
"951025"	431.134794	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-H+HCOOH"	44.998194
"367053"	817.271401	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+HCOOH-H"	44.998201
"349843"	831.287051	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+Hac-H"	59.013851
"1500865"	445.150451	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Hac-H"	59.013851
"965125"	453.116751	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-H+NaCOOH"	66.980151
"116217"	421.106002	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+2Cl"	69.938804
"555778"	614.174302	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+2Cl"	69.938804
"1021664"	228.037702	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2Cl"	69.938804
"1243064"	465.055485	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Br"	78.918885
"1305150"	467.111472	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Cl+HCOOH"	80.974872
"1320255"	489.093429	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Cl+NaCOOH"	102.956829
"915165"	499.122186	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M-H+CF3COOH"	112.985586
"1294061"	535.098864	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Cl+CF3COOH"	148.962264
"1375501"	351.123924	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H-2H2O"	-35.012676
"1390811"	369.1339	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H-H2O"	-17.0027
"290500"	773.280476	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+H"	1.007276
"685107"	1159.417076	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+H"	1.007276
"1358175"	387.143876	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H"	1.007276
"128146"	387.143876	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+2H"	2.014552
"567343"	580.212176	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+2H"	2.014552
"1038693"	194.075576	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2H"	2.014552
"205262"	258.431676	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+3H"	3.021828
"646157"	387.143876	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+3H"	3.021828
"1163918"	129.719476	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+3H"	3.021828
"427195"	790.307023	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+NH4"	18.033823
"796940"	1176.443623	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+NH4"	18.033823
"1692177"	404.170423	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+NH4"	18.033823
"338267"	395.6571495	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+H+NH4"	19.041099
"728500"	588.7254495	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+H+NH4"	19.041099
"1488882"	202.5888495	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H+NH4"	19.041099
"402095"	795.262418	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+Na"	22.989218
"759808"	1181.399018	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+Na"	22.989218
"1608998"	409.125818	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Na"	22.989218
"321222"	398.134847	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+H+Na"	23.996494
"713646"	591.203147	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+H+Na"	23.996494
"1465279"	205.066547	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H+Na"	23.996494
"1054149"	137.04679	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2H+Na"	25.00377
"1257773"	419.170086	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+CH3OH+H"	33.033486
"379872"	811.236358	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+K"	38.963158
"739774"	1197.372958	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+K"	38.963158
"1541828"	425.099758	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+K"	38.963158
"302284"	406.121817	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+H+K"	39.970434
"695799"	599.190117	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+H+K"	39.970434
"1447437"	213.053517	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H+K"	39.970434
"238227"	814.307026	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+ACN+H"	42.033826
"1212030"	428.170426	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+ACN+H"	42.033826
"1195915"	214.588851	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+ACN+2H"	43.041102
"190972"	817.24436	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+2Na-H"	44.97116
"637096"	1203.38096	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+2Na-H"	44.97116
"1137321"	431.10776	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2Na-H"	44.97116
"174775"	409.125818	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+2Na"	45.978436
"617255"	602.194118	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+2Na"	45.978436
"1119665"	216.057518	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2Na"	45.978436
"1400271"	144.374104	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H+2Na"	46.985712
"1433848"	433.149346	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H+HCOOH"	47.012746
"222084"	414.15884	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+3H2O+2H"	56.04448
"1510879"	447.20139	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+IsoProp+H"	61.06479
"411295"	417.112788	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+Na+K"	61.952376
"772295"	610.181088	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+Na+K"	61.952376
"1666440"	224.044488	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Na+K"	61.952376
"255147"	836.288968	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+ACN+Na"	64.015768
"1230044"	450.152368	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+ACN+Na"	64.015768
"1716016"	450.175893	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+NH4+HCOOH"	64.039293
"1184651"	151.701418	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+3Na"	68.967654
"1651626"	455.131288	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Na+HCOOH"	68.994688
"158484"	849.19224	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+2K-H"	76.91904
"606066"	1235.32884	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+2K-H"	76.91904
"1090580"	463.05564	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2K-H"	76.91904
"148490"	425.099758	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"2M+2K"	77.926316
"585868"	618.168058	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"3M+2K"	77.926316
"1074756"	232.031458	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2K"	77.926316
"1107967"	465.070192	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2K+H"	78.933592
"1338885"	465.157807	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+DMSO+H"	79.021207
"1011789"	469.196976	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2ACN+H"	83.060376
"1527727"	470.190608	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+IsoProp+Na+H"	84.054008
"993082"	235.102126	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+2ACN+2H"	84.067652
"1587826"	471.105228	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+K+HCOOH"	84.968628
"1415069"	501.136738	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+H+CF3COOH"	115.000138
"1149732"	255.615401	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+3ACN+2H"	125.094202
"1699649"	518.163285	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+NH4+CF3COOH"	132.026685
"1640767"	523.11868	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+Na+CF3COOH"	136.98208
"1580794"	539.09262	"C21184"	"(-)-5-Demethylyatein;(3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(3-hydroxy-45-dimethoxyphenyl)methyloxolan-2-one"	"C21H22O7"	"386.1366"	"M+K+CF3COOH"	152.95602
"807878"	400.1158	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M"	0
"989071"	381.09741	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-H2O-H"	-19.01839
"68564"	265.736590666667	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M-3H"	-3.021828
"508125"	399.108524	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M-3H"	-3.021828
"892489"	132.364657333333	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-3H"	-3.021828
"7783"	399.108524	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M-2H"	-2.014552
"454760"	599.166424	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M-2H"	-2.014552
"831593"	199.050624	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-2H"	-2.014552
"92312"	799.224324	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M-H"	-1.007276
"529076"	1199.340124	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M-H"	-1.007276
"909556"	399.108524	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-H"	-1.007276
"59066"	816.250871	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M-2H+NH4"	16.019271
"497533"	1216.366671	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M-2H+NH4"	16.019271
"870961"	416.135071	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-2H+NH4"	16.019271
"37766"	821.206266	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M-2H+Na"	20.974666
"482798"	1221.322066	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M-2H+Na"	20.974666
"858411"	421.090466	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-2H+Na"	20.974666
"1627944"	421.090466	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Na-2H"	20.974666
"105564"	417.096863	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M-H+Cl"	33.962126
"544758"	617.154763	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M-H+Cl"	33.962126
"936454"	217.038963	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-H+Cl"	33.962126
"282310"	835.201002	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+Cl"	34.969402
"671808"	1235.316802	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+Cl"	34.969402
"1282030"	435.085202	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Cl"	34.969402
"25681"	837.180206	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M-2H+K"	36.948606
"463055"	1237.296006	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M-2H+K"	36.948606
"837577"	437.064406	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-2H+K"	36.948606
"1564345"	437.064406	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+K-2H"	36.948606
"953322"	445.113994	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-H+HCOOH"	44.998194
"368256"	845.229801	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+HCOOH-H"	44.998201
"349953"	859.245451	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+Hac-H"	59.013851
"1502068"	459.129651	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Hac-H"	59.013851
"969608"	467.095951	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-H+NaCOOH"	66.980151
"113047"	435.085202	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+2Cl"	69.938804
"551878"	635.143102	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+2Cl"	69.938804
"1021770"	235.027302	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2Cl"	69.938804
"1243175"	479.034685	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Br"	78.918885
"1305624"	481.090672	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Cl+HCOOH"	80.974872
"1320808"	503.072629	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Cl+NaCOOH"	102.956829
"915275"	513.101386	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M-H+CF3COOH"	112.985586
"1294171"	549.078064	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Cl+CF3COOH"	148.962264
"1375611"	365.103124	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H-2H2O"	-35.012676
"1395294"	383.1131	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H-H2O"	-17.0027
"292797"	801.238876	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+H"	1.007276
"689589"	1201.354676	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+H"	1.007276
"1359378"	401.123076	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H"	1.007276
"128621"	401.123076	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+2H"	2.014552
"567088"	601.180976	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+2H"	2.014552
"1038803"	201.065176	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2H"	2.014552
"205977"	267.751142666667	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+3H"	3.021828
"645902"	401.123076	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+3H"	3.021828
"1164029"	134.379209333333	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+3H"	3.021828
"426575"	818.265423	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+NH4"	18.033823
"795956"	1218.381223	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+NH4"	18.033823
"1691194"	418.149623	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+NH4"	18.033823
"339469"	409.6363495	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+H+NH4"	19.041099
"729703"	609.6942495	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+H+NH4"	19.041099
"1486804"	209.5784495	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H+NH4"	19.041099
"398924"	823.220818	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+Na"	22.989218
"759920"	1223.336618	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+Na"	22.989218
"1611295"	423.105018	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Na"	22.989218
"322426"	412.114047	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+H+Na"	23.996494
"714849"	612.171947	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+H+Na"	23.996494
"1464296"	212.056147	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H+Na"	23.996494
"1054261"	141.706523333333	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2H+Na"	25.00377
"1257883"	433.149286	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+CH3OH+H"	33.033486
"379982"	839.194758	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+K"	38.963158
"739397"	1239.310558	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+K"	38.963158
"1543031"	439.078958	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+K"	38.963158
"302394"	420.101017	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+H+K"	39.970434
"695909"	620.158917	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+H+K"	39.970434
"1449733"	220.043117	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H+K"	39.970434
"240523"	842.265426	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+ACN+H"	42.033826
"1212140"	442.149626	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+ACN+H"	42.033826
"1197118"	221.578451	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+ACN+2H"	43.041102
"195457"	845.20276	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+2Na-H"	44.97116
"632100"	1245.31856	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+2Na-H"	44.97116
"1133055"	445.08696	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2Na-H"	44.97116
"173427"	423.105018	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+2Na"	45.978436
"620281"	623.162918	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+2Na"	45.978436
"1118321"	223.047118	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2Na"	45.978436
"1399409"	149.033837333333	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H+2Na"	46.985712
"1433228"	447.128546	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H+HCOOH"	47.012746
"221833"	428.13804	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+3H2O+2H"	56.04448
"1511719"	461.18059	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+IsoProp+H"	61.06479
"411404"	431.091988	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+Na+K"	61.952376
"783340"	631.149888	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+Na+K"	61.952376
"1673108"	231.034088	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Na+K"	61.952376
"256349"	864.247368	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+ACN+Na"	64.015768
"1232339"	464.131568	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+ACN+Na"	64.015768
"1716852"	464.155093	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+NH4+HCOOH"	64.039293
"1183301"	156.361151333333	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+3Na"	68.967654
"1653192"	469.110488	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Na+HCOOH"	68.994688
"160052"	877.15064	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+2K-H"	76.91904
"603989"	1277.26644	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+2K-H"	76.91904
"1090690"	477.03484	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2K-H"	76.91904
"145320"	439.078958	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"2M+2K"	77.926316
"582940"	639.136858	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"3M+2K"	77.926316
"1073408"	239.021058	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2K"	77.926316
"1103702"	479.049392	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2K+H"	78.933592
"1338995"	479.137007	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+DMSO+H"	79.021207
"1009712"	483.176176	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2ACN+H"	83.060376
"1528932"	484.169808	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+IsoProp+Na+H"	84.054008
"995380"	242.091726	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+2ACN+2H"	84.067652
"1590979"	485.084428	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+K+HCOOH"	84.968628
"1414935"	515.115938	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+H+CF3COOH"	115.000138
"1151666"	262.605001	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+3ACN+2H"	125.094202
"1700852"	532.142485	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+NH4+CF3COOH"	132.026685
"1640877"	537.09788	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+Na+CF3COOH"	136.98208
"1580904"	553.07182	"C21185"	"4-Demethylepipodophyllotoxin;(-)-4-Demethylepipodophyllotoxin;(5R5aR8aR9S)-9-Hydroxy-5-(4-hydroxy-35-dimethoxyphenyl)-588a9-tetrahydrofuro34:67naphtho23-d13dioxol-6(5aH)-one"	"C21H20O8"	"400.1158"	"M+K+CF3COOH"	152.95602
"807988"	294.0951	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M"	0
"989060"	275.07671	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-H2O-H"	-19.01839
"67581"	195.056124	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M-3H"	-3.021828
"510422"	293.087824	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M-3H"	-3.021828
"891506"	97.024424	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-3H"	-3.021828
"6800"	293.087824	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M-2H"	-2.014552
"455354"	440.135374	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M-2H"	-2.014552
"832228"	146.040274	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-2H"	-2.014552
"90718"	587.182924	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M-H"	-1.007276
"530278"	881.278024	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M-H"	-1.007276
"906989"	293.087824	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-H"	-1.007276
"53707"	604.209471	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M-2H+NH4"	16.019271
"493268"	898.304571	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M-2H+NH4"	16.019271
"868883"	310.114371	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-2H+NH4"	16.019271
"37877"	609.164866	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M-2H+Na"	20.974666
"480719"	903.259966	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M-2H+Na"	20.974666
"860707"	315.069766	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-2H+Na"	20.974666
"1630240"	315.069766	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Na-2H"	20.974666
"104580"	311.076163	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M-H+Cl"	33.962126
"544139"	458.123713	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M-H+Cl"	33.962126
"935469"	164.028613	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-H+Cl"	33.962126
"280595"	623.159602	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+Cl"	34.969402
"668638"	917.254702	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+Cl"	34.969402
"1275943"	329.064502	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Cl"	34.969402
"25790"	625.138806	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M-2H+K"	36.948606
"463163"	919.233906	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M-2H+K"	36.948606
"843153"	331.043706	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-2H+K"	36.948606
"1564455"	331.043706	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+K-2H"	36.948606
"951243"	339.093294	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-H+HCOOH"	44.998194
"368365"	633.188401	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+HCOOH-H"	44.998201
"350063"	647.204051	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+Hac-H"	59.013851
"1502177"	353.108951	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Hac-H"	59.013851
"966438"	361.075251	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-H+NaCOOH"	66.980151
"111698"	329.064502	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+2Cl"	69.938804
"550895"	476.112052	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+2Cl"	69.938804
"1022607"	182.016952	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2Cl"	69.938804
"1243285"	373.013985	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Br"	78.918885
"1304516"	375.069972	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Cl+HCOOH"	80.974872
"1321402"	397.051929	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Cl+NaCOOH"	102.956829
"915385"	407.080686	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M-H+CF3COOH"	112.985586
"1291365"	443.057364	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Cl+CF3COOH"	148.962264
"1374627"	259.082424	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H-2H2O"	-35.012676
"1393218"	277.0924	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H-H2O"	-17.0027
"289627"	589.197476	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+H"	1.007276
"686419"	883.292576	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+H"	1.007276
"1359488"	295.102376	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H"	1.007276
"129097"	295.102376	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+2H"	2.014552
"566710"	442.149926	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+2H"	2.014552
"1038915"	148.054826	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2H"	2.014552
"205358"	197.070676	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+3H"	3.021828
"645523"	295.102376	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+3H"	3.021828
"1163895"	99.038976	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+3H"	3.021828
"425954"	606.224023	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+NH4"	18.033823
"790598"	900.319123	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+NH4"	18.033823
"1686928"	312.128923	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+NH4"	18.033823
"334112"	303.6156495	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+H+NH4"	19.041099
"726531"	450.6631995	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+H+NH4"	19.041099
"1482540"	156.5680995	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H+NH4"	19.041099
"400126"	611.179418	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+Na"	22.989218
"755656"	905.274518	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+Na"	22.989218
"1608125"	317.084318	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Na"	22.989218
"316702"	306.093347	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+H+Na"	23.996494
"713865"	453.140897	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+H+Na"	23.996494
"1462583"	159.045797	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H+Na"	23.996494
"1054363"	106.36629	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2H+Na"	25.00377
"1257506"	327.128586	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+CH3OH+H"	33.033486
"378265"	627.153358	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+K"	38.963158
"739991"	921.248458	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+K"	38.963158
"1540466"	333.058258	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+K"	38.963158
"298788"	314.080317	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+H+K"	39.970434
"691763"	461.127867	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+H+K"	39.970434
"1449843"	167.032767	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H+K"	39.970434
"239174"	630.224026	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+ACN+H"	42.033826
"1214071"	336.128926	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+ACN+H"	42.033826
"1197590"	168.568101	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+ACN+2H"	43.041102
"195567"	633.16136	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+2Na-H"	44.97116
"633666"	927.25646	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+2Na-H"	44.97116
"1138636"	339.06626	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2Na-H"	44.97116
"173900"	317.084318	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+2Na"	45.978436
"619298"	464.131868	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+2Na"	45.978436
"1120618"	170.036768	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2Na"	45.978436
"1399762"	113.693604	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H+2Na"	46.985712
"1432972"	341.107846	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H+HCOOH"	47.012746
"222671"	322.11734	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+3H2O+2H"	56.04448
"1511827"	355.15989	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+IsoProp+H"	61.06479
"413704"	325.071288	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+Na+K"	61.952376
"783085"	472.118838	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+Na+K"	61.952376
"1673218"	178.023738	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Na+K"	61.952376
"256459"	652.205968	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+ACN+Na"	64.015768
"1233542"	358.110868	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+ACN+Na"	64.015768
"1716961"	358.134393	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+NH4+HCOOH"	64.039293
"1181587"	121.020918	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+3Na"	68.967654
"1653666"	363.089788	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Na+HCOOH"	68.994688
"158708"	665.10924	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+2K-H"	76.91904
"601912"	959.20434	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+2K-H"	76.91904
"1090799"	371.01414	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2K-H"	76.91904
"143243"	333.058258	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"2M+2K"	77.926316
"588641"	480.105808	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"3M+2K"	77.926316
"1076800"	186.010708	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2K"	77.926316
"1108187"	373.028692	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2K+H"	78.933592
"1339105"	373.116307	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+DMSO+H"	79.021207
"1010915"	377.155476	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2ACN+H"	83.060376
"1529042"	378.149108	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+IsoProp+Na+H"	84.054008
"998770"	189.081376	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+2ACN+2H"	84.067652
"1592182"	379.063728	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+K+HCOOH"	84.968628
"1416018"	409.095238	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+H+CF3COOH"	115.000138
"1152505"	209.594651	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+3ACN+2H"	125.094202
"1700962"	426.121785	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+NH4+CF3COOH"	132.026685
"1639894"	431.07718	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+Na+CF3COOH"	136.98208
"1581014"	447.05112	"C21186"	"6-Tuliposide B;6-O-(3S)-34-Dihydroxy-2-methylenebutanoyl-D-glucose"	"C11H18O9"	"294.0951"	"M+K+CF3COOH"	152.95602
"808098"	114.0317	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M"	0
"989780"	95.01331	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-H2O-H"	-19.01839
"66597"	75.0138573333333	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M-3H"	-3.021828
"508345"	113.024424	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M-3H"	-3.021828
"891616"	37.0032906666667	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-3H"	-3.021828
"15294"	113.024424	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M-2H"	-2.014552
"455222"	170.040274	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M-2H"	-2.014552
"830837"	56.008574	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-2H"	-2.014552
"90828"	227.056124	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M-H"	-1.007276
"530388"	341.087824	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M-H"	-1.007276
"906005"	113.024424	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-H"	-1.007276
"53818"	244.082671	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M-2H+NH4"	16.019271
"491554"	358.114371	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M-2H+NH4"	16.019271
"867900"	130.050971	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-2H+NH4"	16.019271
"39079"	249.038066	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M-2H+Na"	20.974666
"478642"	363.069766	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M-2H+Na"	20.974666
"858631"	135.006366	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-2H+Na"	20.974666
"1624883"	135.006366	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Na-2H"	20.974666
"103596"	131.012763	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M-H+Cl"	33.962126
"543156"	188.028613	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M-H+Cl"	33.962126
"931204"	73.996913	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-H+Cl"	33.962126
"281066"	263.032802	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+Cl"	34.969402
"669841"	377.064502	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+Cl"	34.969402
"1282252"	149.001102	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Cl"	34.969402
"25901"	265.012006	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M-2H+K"	36.948606
"459995"	379.043706	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M-2H+K"	36.948606
"834515"	150.980306	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-2H+K"	36.948606
"1561285"	150.980306	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+K-2H"	36.948606
"945888"	159.029894	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-H+HCOOH"	44.998194
"363007"	273.061601	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+HCOOH-H"	44.998201
"349081"	287.077251	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+Hac-H"	59.013851
"1497913"	173.045551	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Hac-H"	59.013851
"964361"	181.011851	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-H+NaCOOH"	66.980151
"110712"	149.001102	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+2Cl"	69.938804
"551127"	206.016952	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+2Cl"	69.938804
"1022111"	91.985252	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2Cl"	69.938804
"1242665"	192.950585	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Br"	78.918885
"1304384"	195.006572	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Cl+HCOOH"	80.974872
"1320299"	216.988529	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Cl+NaCOOH"	102.956829
"917681"	227.017286	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M-H+CF3COOH"	112.985586
"1295483"	262.993964	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Cl+CF3COOH"	148.962264
"1375830"	79.019024	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H-2H2O"	-35.012676
"1391141"	97.029	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H-H2O"	-17.0027
"286456"	229.070676	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+H"	1.007276
"679969"	343.102376	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+H"	1.007276
"1357413"	115.038976	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H"	1.007276
"129935"	115.038976	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+2H"	2.014552
"566578"	172.054826	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+2H"	2.014552
"1038658"	58.023126	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2H"	2.014552
"206557"	77.0284093333333	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+3H"	3.021828
"645756"	115.038976	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+3H"	3.021828
"1164248"	39.0178426666667	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+3H"	3.021828
"425335"	246.097223	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+NH4"	18.033823
"792894"	360.128923	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+NH4"	18.033823
"1688132"	132.065523	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+NH4"	18.033823
"331667"	123.5522495	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+H+NH4"	19.041099
"727006"	180.5680995	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+H+NH4"	19.041099
"1480096"	66.5363995	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H+NH4"	19.041099
"398049"	251.052618	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+Na"	22.989218
"757950"	365.084318	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+Na"	22.989218
"1607142"	137.020918	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Na"	22.989218
"318272"	126.029947	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+H+Na"	23.996494
"709965"	183.045797	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+H+Na"	23.996494
"1463785"	69.014097	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H+Na"	23.996494
"1054595"	46.3451566666667	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2H+Na"	25.00377
"1257980"	147.065186	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+CH3OH+H"	33.033486
"378009"	267.026558	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+K"	38.963158
"739736"	381.058258	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+K"	38.963158
"1540453"	152.994858	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+K"	38.963158
"299212"	134.016917	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+H+K"	39.970434
"691752"	191.032767	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+H+K"	39.970434
"1448494"	77.001067	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H+K"	39.970434
"238920"	270.097226	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+ACN+H"	42.033826
"1215639"	156.065526	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+ACN+H"	42.033826
"1199522"	78.536401	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+ACN+2H"	43.041102
"194584"	273.03456	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+2Na-H"	44.97116
"634141"	387.06626	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+2Na-H"	44.97116
"1138746"	159.00286	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2Na-H"	44.97116
"177292"	137.020918	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+2Na"	45.978436
"617949"	194.036768	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+2Na"	45.978436
"1120363"	80.005068	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2Na"	45.978436
"1405342"	53.6724706666667	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H+2Na"	46.985712
"1434175"	161.044446	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H+HCOOH"	47.012746
"223509"	142.05394	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+3H2O+2H"	56.04448
"1510117"	175.09649	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+IsoProp+H"	61.06479
"409800"	145.007888	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+Na+K"	61.952376
"780278"	202.023738	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+Na+K"	61.952376
"1667860"	87.992038	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Na+K"	61.952376
"258390"	292.079168	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+ACN+Na"	64.015768
"1230007"	178.047468	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+ACN+Na"	64.015768
"1716341"	178.070993	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+NH4+HCOOH"	64.039293
"1183154"	60.9997846666667	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+3Na"	68.967654
"1654871"	183.026388	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Na+HCOOH"	68.994688
"161733"	304.98244	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+2K-H"	76.91904
"601295"	419.01414	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+2K-H"	76.91904
"1094190"	190.95074	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2K-H"	76.91904
"144080"	152.994858	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"2M+2K"	77.926316
"586198"	210.010708	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"3M+2K"	77.926316
"1075086"	95.979008	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2K"	77.926316
"1103919"	192.965292	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2K+H"	78.933592
"1342494"	193.052907	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+DMSO+H"	79.021207
"1009930"	197.092076	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2ACN+H"	83.060376
"1530242"	198.085708	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+IsoProp+Na+H"	84.054008
"995597"	99.049676	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+2ACN+2H"	84.067652
"1588646"	199.000328	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+K+HCOOH"	84.968628
"1415642"	229.031838	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+H+CF3COOH"	115.000138
"1151522"	119.562951	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+3ACN+2H"	125.094202
"1698886"	246.058385	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+NH4+CF3COOH"	132.026685
"1640004"	251.01378	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+Na+CF3COOH"	136.98208
"1581124"	266.98772	"C21187"	"Tulipalin B;(4S)-4-Hydroxy-3-methylideneoxolan-2-one"	"C5H6O3"	"114.0317"	"M+K+CF3COOH"	152.95602
"815869"	356.126	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M"	0
"981746"	337.10761	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-H2O-H"	-19.01839
"71082"	236.410057333333	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M-3H"	-3.021828
"506269"	355.118724	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M-3H"	-3.021828
"889538"	117.701390666667	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-3H"	-3.021828
"9207"	355.118724	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M-2H"	-2.014552
"449865"	533.181724	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M-2H"	-2.014552
"820377"	177.055724	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-2H"	-2.014552
"80371"	711.244724	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M-H"	-1.007276
"525032"	1067.370724	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M-H"	-1.007276
"902835"	355.118724	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-H"	-1.007276
"53928"	728.271271	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M-2H+NH4"	16.019271
"492395"	1084.397271	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M-2H+NH4"	16.019271
"871290"	372.145271	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-2H+NH4"	16.019271
"38096"	733.226666	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M-2H+Na"	20.974666
"478752"	1089.352666	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M-2H+Na"	20.974666
"856553"	377.100666	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-2H+Na"	20.974666
"1627179"	377.100666	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Na-2H"	20.974666
"102616"	373.107063	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M-H+Cl"	33.962126
"541081"	551.170063	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M-H+Cl"	33.962126
"933507"	195.044063	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-H+Cl"	33.962126
"276438"	747.221402	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+Cl"	34.969402
"664486"	1103.347402	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+Cl"	34.969402
"1275797"	391.095402	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Cl"	34.969402
"22728"	749.200606	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M-2H+K"	36.948606
"463382"	1105.326606	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M-2H+K"	36.948606
"845559"	393.074606	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-2H+K"	36.948606
"1563581"	393.074606	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+K-2H"	36.948606
"951463"	401.124194	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-H+HCOOH"	44.998194
"374053"	757.250201	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+HCOOH-H"	44.998201
"347001"	771.265851	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+Hac-H"	59.013851
"1493523"	415.139851	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Hac-H"	59.013851
"958877"	423.106151	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-H+NaCOOH"	66.980151
"116666"	391.095402	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+2Cl"	69.938804
"552943"	569.158402	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+2Cl"	69.938804
"1029399"	213.032402	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2Cl"	69.938804
"1242413"	435.044885	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Br"	78.918885
"1307417"	437.100872	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Cl+HCOOH"	80.974872
"1322361"	459.082829	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Cl+NaCOOH"	102.956829
"913783"	469.111586	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M-H+CF3COOH"	112.985586
"1289029"	505.088264	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Cl+CF3COOH"	148.962264
"1371567"	321.113324	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H-2H2O"	-35.012676
"1385783"	339.1233	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H-H2O"	-17.0027
"289843"	713.259276	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+H"	1.007276
"690301"	1069.385276	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+H"	1.007276
"1364826"	357.133276	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H"	1.007276
"134795"	357.133276	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+2H"	2.014552
"573261"	535.196276	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+2H"	2.014552
"1040237"	179.070276	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2H"	2.014552
"205583"	238.424609333333	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+3H"	3.021828
"644771"	357.133276	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+3H"	3.021828
"1163749"	119.715942666667	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+3H"	3.021828
"426541"	730.285823	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+NH4"	18.033823
"786802"	1086.411823	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+NH4"	18.033823
"1682158"	374.159823	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+NH4"	18.033823
"330803"	365.6465495	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+H+NH4"	19.041099
"723833"	543.7095495	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+H+NH4"	19.041099
"1478384"	187.5835495	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H+NH4"	19.041099
"393539"	735.241218	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+Na"	22.989218
"755266"	1091.367218	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+Na"	22.989218
"1611639"	379.115218	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Na"	22.989218
"316206"	368.124247	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+H+Na"	23.996494
"707773"	546.187247	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+H+Na"	23.996494
"1462687"	190.061247	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H+Na"	23.996494
"1053861"	127.043256666667	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2H+Na"	25.00377
"1257120"	389.159486	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+CH3OH+H"	33.033486
"379222"	751.215158	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+K"	38.963158
"739119"	1107.341158	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+K"	38.963158
"1540007"	395.089158	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+K"	38.963158
"298555"	376.111217	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+H+K"	39.970434
"691743"	554.174217	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+H+K"	39.970434
"1445657"	198.048217	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H+K"	39.970434
"238663"	754.285826	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+ACN+H"	42.033826
"1213925"	398.159826	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+ACN+H"	42.033826
"1206203"	199.583551	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+ACN+2H"	43.041102
"192511"	757.22316	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+2Na-H"	44.97116
"633526"	1113.34916	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+2Na-H"	44.97116
"1137761"	401.09716	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2Na-H"	44.97116
"182145"	379.115218	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+2Na"	45.978436
"622798"	557.178218	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+2Na"	45.978436
"1127403"	201.052218	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2Na"	45.978436
"1407648"	134.370570666667	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H+2Na"	46.985712
"1438670"	403.138746	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H+HCOOH"	47.012746
"229460"	384.14824	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+3H2O+2H"	56.04448
"1515698"	417.19079	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+IsoProp+H"	61.06479
"421582"	387.102188	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+Na+K"	61.952376
"777108"	565.165188	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+Na+K"	61.952376
"1666148"	209.039188	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Na+K"	61.952376
"252304"	776.267768	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+ACN+Na"	64.015768
"1230116"	420.141768	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+ACN+Na"	64.015768
"1716087"	420.165293	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+NH4+HCOOH"	64.039293
"1181077"	141.697884666667	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+3Na"	68.967654
"1653521"	425.120688	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Na+HCOOH"	68.994688
"161111"	789.17104	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+2K-H"	76.91904
"601036"	1145.29704	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+2K-H"	76.91904
"1088099"	433.04504	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2K-H"	76.91904
"143095"	395.089158	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"2M+2K"	77.926316
"582296"	573.152158	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"3M+2K"	77.926316
"1071914"	217.026158	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2K"	77.926316
"1104029"	435.059592	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2K+H"	78.933592
"1338232"	435.147207	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+DMSO+H"	79.021207
"1011136"	439.186376	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2ACN+H"	83.060376
"1529263"	440.180008	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+IsoProp+Na+H"	84.054008
"995711"	220.096826	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+2ACN+2H"	84.067652
"1588391"	441.094628	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+K+HCOOH"	84.968628
"1415994"	471.126138	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+H+CF3COOH"	115.000138
"1148350"	240.610101	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+3ACN+2H"	125.094202
"1697536"	488.152685	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+NH4+CF3COOH"	132.026685
"1643400"	493.10808	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+Na+CF3COOH"	136.98208
"1577957"	509.08202	"C21191"	"Pluviatolide;(-)-Pluviatolide;((3R4R)-4-(2H-13-Benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxyphenyl)methyloxolan-2-one"	"C20H20O6"	"356.126"	"M+K+CF3COOH"	152.95602
"813791"	608.2635	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M"	0
"981856"	589.24511	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-H2O-H"	-19.01839
"67910"	404.501724	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M-3H"	-3.021828
"511847"	607.256224	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M-3H"	-3.021828
"892929"	201.747224	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-3H"	-3.021828
"13327"	607.256224	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M-2H"	-2.014552
"453256"	911.387974	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M-2H"	-2.014552
"825590"	303.124474	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-2H"	-2.014552
"82303"	1215.519724	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M-H"	-1.007276
"526237"	1823.783224	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M-H"	-1.007276
"906227"	607.256224	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-H"	-1.007276
"55133"	1232.546271	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M-2H+NH4"	16.019271
"499066"	1840.809771	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M-2H+NH4"	16.019271
"871400"	624.282771	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-2H+NH4"	16.019271
"42581"	1237.501666	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M-2H+Na"	20.974666
"484207"	1845.765166	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M-2H+Na"	20.974666
"859943"	629.238166	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-2H+Na"	20.974666
"1627287"	629.238166	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Na-2H"	20.974666
"102725"	625.244563	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M-H+Cl"	33.962126
"542283"	929.376313	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M-H+Cl"	33.962126
"933618"	321.112813	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-H+Cl"	33.962126
"271081"	1251.496402	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+Cl"	34.969402
"663502"	1859.759902	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+Cl"	34.969402
"1274814"	643.232902	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Cl"	34.969402
"19558"	1253.475606	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M-2H+K"	36.948606
"460212"	1861.739106	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M-2H+K"	36.948606
"842389"	645.212106	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-2H+K"	36.948606
"1566973"	645.212106	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+K-2H"	36.948606
"951574"	653.261694	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-H+HCOOH"	44.998194
"373069"	1261.525201	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+HCOOH-H"	44.998201
"346261"	1275.540851	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+Hac-H"	59.013851
"1498133"	667.277351	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Hac-H"	59.013851
"958907"	675.243651	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-H+NaCOOH"	66.980151
"116776"	643.232902	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+2Cl"	69.938804
"554149"	947.364652	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+2Cl"	69.938804
"1029509"	339.101152	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2Cl"	69.938804
"1243618"	687.182385	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Br"	78.918885
"1309351"	689.238372	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Cl+HCOOH"	80.974872
"1321378"	711.220329	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Cl+NaCOOH"	102.956829
"911704"	721.249086	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M-H+CF3COOH"	112.985586
"1288853"	757.225764	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Cl+CF3COOH"	148.962264
"1370584"	573.250824	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H-2H2O"	-35.012676
"1385165"	591.2608	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H-H2O"	-17.0027
"289953"	1217.534276	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+H"	1.007276
"689318"	1825.797776	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+H"	1.007276
"1364207"	609.270776	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H"	1.007276
"134905"	609.270776	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+2H"	2.014552
"572278"	913.402526	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+2H"	2.014552
"1039983"	305.139026	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2H"	2.014552
"205450"	406.516276	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+3H"	3.021828
"645974"	609.270776	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+3H"	3.021828
"1164829"	203.761776	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+3H"	3.021828
"427015"	1234.560823	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+NH4"	18.033823
"786306"	1842.824323	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+NH4"	18.033823
"1682147"	626.297323	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+NH4"	18.033823
"331520"	617.7840495	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+H+NH4"	19.041099
"724308"	921.9157995	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+H+NH4"	19.041099
"1478614"	313.6522995	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H+NH4"	19.041099
"394985"	1239.516218	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+Na"	22.989218
"755983"	1847.779718	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+Na"	22.989218
"1611749"	631.252718	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Na"	22.989218
"316316"	620.261747	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+H+Na"	23.996494
"708734"	924.393497	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+H+Na"	23.996494
"1461314"	316.129997	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H+Na"	23.996494
"1054336"	211.08909	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2H+Na"	25.00377
"1257062"	641.296986	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+CH3OH+H"	33.033486
"377387"	1255.490158	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+K"	38.963158
"739230"	1863.753658	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+K"	38.963158
"1540917"	647.226658	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+K"	38.963158
"299191"	628.248717	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+H+K"	39.970434
"691432"	932.380467	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+H+K"	39.970434
"1446527"	324.116967	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H+K"	39.970434
"240965"	1258.560826	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+ACN+H"	42.033826
"1214765"	650.297326	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+ACN+H"	42.033826
"1205213"	325.652301	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+ACN+2H"	43.041102
"196993"	1261.49816	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+2Na-H"	44.97116
"633636"	1869.76166	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+2Na-H"	44.97116
"1136412"	653.23466	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2Na-H"	44.97116
"178974"	631.252718	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+2Na"	45.978436
"622908"	935.384468	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+2Na"	45.978436
"1127512"	327.120968	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2Na"	45.978436
"1406664"	218.416404	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H+2Na"	46.985712
"1437686"	655.276246	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H+HCOOH"	47.012746
"225923"	636.28574	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+3H2O+2H"	56.04448
"1517631"	669.32829	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+IsoProp+H"	61.06479
"418410"	639.239688	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+Na+K"	61.952376
"774666"	943.371438	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+Na+K"	61.952376
"1666298"	335.107938	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Na+K"	61.952376
"254601"	1280.542768	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+ACN+Na"	64.015768
"1226256"	672.279268	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+ACN+Na"	64.015768
"1712954"	672.302793	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+NH4+HCOOH"	64.039293
"1181917"	225.743718	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+3Na"	68.967654
"1653995"	677.258188	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Na+HCOOH"	68.994688
"158304"	1293.44604	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+2K-H"	76.91904
"599688"	1901.70954	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+2K-H"	76.91904
"1089669"	685.18254	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2K-H"	76.91904
"143933"	647.226658	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"2M+2K"	77.926316
"581918"	951.358408	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"3M+2K"	77.926316
"1072024"	343.094908	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2K"	77.926316
"1112892"	687.197092	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2K+H"	78.933592
"1338342"	687.284707	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+DMSO+H"	79.021207
"1012339"	691.323876	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2ACN+H"	83.060376
"1530466"	692.317508	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+IsoProp+Na+H"	84.054008
"992543"	346.165576	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+2ACN+2H"	84.067652
"1593606"	693.232128	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+K+HCOOH"	84.968628
"1419261"	723.263638	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+H+CF3COOH"	115.000138
"1149553"	366.678851	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+3ACN+2H"	125.094202
"1699103"	740.290185	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+NH4+CF3COOH"	132.026685
"1642417"	745.24558	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+Na+CF3COOH"	136.98208
"1578067"	761.21952	"C21192"	"Epoxypheophorbide a"	"C35H36N4O6"	"608.2635"	"M+K+CF3COOH"	152.95602
"808433"	187.0845	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M"	0
"981968"	168.06611	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H2O-H"	-19.01839
"71304"	123.715724	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-3H"	-3.021828
"516332"	186.077224	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-3H"	-3.021828
"889761"	61.354224	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-3H"	-3.021828
"5059"	186.077224	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H"	-2.014552
"452272"	279.619474	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H"	-2.014552
"825700"	92.534974	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H"	-2.014552
"83507"	373.161724	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-H"	-1.007276
"525250"	560.246224	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-H"	-1.007276
"904146"	186.077224	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H"	-1.007276
"54147"	390.188271	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H+NH4"	16.019271
"494801"	577.272771	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H+NH4"	16.019271
"872602"	203.103771	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H+NH4"	16.019271
"41597"	395.143666	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H+Na"	20.974666
"484807"	582.228166	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H+Na"	20.974666
"860052"	208.059166	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H+Na"	20.974666
"1627397"	208.059166	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na-2H"	20.974666
"98463"	204.065563	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-H+Cl"	33.962126
"538023"	297.607813	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-H+Cl"	33.962126
"931174"	110.523313	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+Cl"	33.962126
"276657"	409.138402	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Cl"	34.969402
"664705"	596.222902	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+Cl"	34.969402
"1279294"	222.053902	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl"	34.969402
"18573"	411.117606	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M-2H+K"	36.948606
"462512"	598.202106	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M-2H+K"	36.948606
"844687"	224.033106	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-2H+K"	36.948606
"1568176"	224.033106	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K-2H"	36.948606
"946218"	232.082694	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+HCOOH"	44.998194
"365525"	419.167201	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+HCOOH-H"	44.998201
"351602"	433.182851	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Hac-H"	59.013851
"1507976"	246.098351	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Hac-H"	59.013851
"970168"	254.064651	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+NaCOOH"	66.980151
"125398"	222.053902	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2Cl"	69.938804
"564102"	315.596152	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2Cl"	69.938804
"1026344"	128.511652	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2Cl"	69.938804
"1245919"	266.003385	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Br"	78.918885
"1310555"	268.059372	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl+HCOOH"	80.974872
"1323676"	290.041329	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl+NaCOOH"	102.956829
"911814"	300.070086	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M-H+CF3COOH"	112.985586
"1291443"	336.046764	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Cl+CF3COOH"	148.962264
"1368142"	152.071824	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H-2H2O"	-35.012676
"1397566"	170.0818	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H-H2O"	-17.0027
"297738"	375.176276	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H"	1.007276
"686877"	562.260776	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H"	1.007276
"1362496"	188.091776	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H"	1.007276
"139395"	188.091776	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2H"	2.014552
"572390"	281.634026	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2H"	2.014552
"1040093"	94.549526	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2H"	2.014552
"207995"	125.730276	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+3H"	3.021828
"649745"	188.091776	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+3H"	3.021828
"1165312"	63.368776	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+3H"	3.021828
"426401"	392.202823	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+NH4"	18.033823
"787755"	579.287323	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+NH4"	18.033823
"1682992"	205.118323	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+NH4"	18.033823
"332001"	196.6050495	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H+NH4"	19.041099
"728070"	290.1472995	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H+NH4"	19.041099
"1478972"	103.0627995	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+NH4"	19.041099
"407022"	397.158218	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Na"	22.989218
"762667"	584.242718	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+Na"	22.989218
"1606389"	210.073718	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na"	22.989218
"317519"	199.082747	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H+Na"	23.996494
"712128"	292.624997	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H+Na"	23.996494
"1467042"	105.540497	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+Na"	23.996494
"1058100"	70.69609	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2H+Na"	25.00377
"1261967"	220.117986	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+CH3OH+H"	33.033486
"382728"	413.132158	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+K"	38.963158
"747006"	600.216658	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+K"	38.963158
"1544684"	226.047658	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K"	38.963158
"300399"	207.069717	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+H+K"	39.970434
"694280"	300.611967	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+H+K"	39.970434
"1455756"	113.527467	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+K"	39.970434
"243263"	416.202826	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+ACN+H"	42.033826
"1213788"	229.118326	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+ACN+H"	42.033826
"1200956"	115.062801	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+ACN+2H"	43.041102
"192732"	419.14016	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2Na-H"	44.97116
"634480"	606.22466	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2Na-H"	44.97116
"1137987"	232.05566	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2Na-H"	44.97116
"183467"	210.073718	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2Na"	45.978436
"621934"	303.615968	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2Na"	45.978436
"1122158"	116.531468	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2Na"	45.978436
"1404588"	78.023404	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+2Na"	46.985712
"1434880"	234.097246	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+HCOOH"	47.012746
"227492"	215.10674	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+3H2O+2H"	56.04448
"1512638"	248.14929	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+IsoProp+H"	61.06479
"413052"	218.060688	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+Na+K"	61.952376
"778422"	311.602938	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+Na+K"	61.952376
"1669284"	124.518438	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na+K"	61.952376
"253983"	438.184768	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+ACN+Na"	64.015768
"1227784"	251.100268	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+ACN+Na"	64.015768
"1715213"	251.123793	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+NH4+HCOOH"	64.039293
"1178592"	85.350718	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+3Na"	68.967654
"1651919"	256.079188	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na+HCOOH"	68.994688
"160603"	451.08804	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2K-H"	76.91904
"600528"	638.17254	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2K-H"	76.91904
"1084796"	264.00354	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2K-H"	76.91904
"142344"	226.047658	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"2M+2K"	77.926316
"581578"	319.589908	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"3M+2K"	77.926316
"1069212"	132.505408	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2K"	77.926316
"1111544"	266.018092	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2K+H"	78.933592
"1337357"	266.105707	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+DMSO+H"	79.021207
"1006373"	270.144876	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2ACN+H"	83.060376
"1525107"	271.138508	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+IsoProp+Na+H"	84.054008
"993744"	135.576076	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+2ACN+2H"	84.067652
"1589338"	272.053128	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K+HCOOH"	84.968628
"1416091"	302.084638	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+H+CF3COOH"	115.000138
"1151858"	156.089351	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+3ACN+2H"	125.094202
"1705782"	319.111185	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+NH4+CF3COOH"	132.026685
"1637060"	324.06658	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+Na+CF3COOH"	136.98208
"1578179"	340.04052	"C21195"	"N-(3-Hydroxybutanoyl)-L-homoserine lactone;3-Hydroxy-C4-HSL;N-(RS)-3-Hydroxybutyryl-L-homoserine lactone"	"C8H13NO4"	"187.0845"	"M+K+CF3COOH"	152.95602
"805263"	199.1208	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M"	0
"982078"	180.10241	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-H2O-H"	-19.01839
"71414"	131.739924	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M-3H"	-3.021828
"515348"	198.113524	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M-3H"	-3.021828
"889871"	65.366324	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-3H"	-3.021828
"4076"	198.113524	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M-2H"	-2.014552
"448009"	297.673924	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M-2H"	-2.014552
"829090"	98.553124	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-2H"	-2.014552
"84710"	397.234324	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M-H"	-1.007276
"526453"	596.355124	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M-H"	-1.007276
"903163"	198.113524	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-H"	-1.007276
"53527"	414.260871	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M-2H+NH4"	16.019271
"497098"	613.381671	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M-2H+NH4"	16.019271
"873806"	215.140071	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-2H+NH4"	16.019271
"38425"	419.216266	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M-2H+Na"	20.974666
"483823"	618.337066	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M-2H+Na"	20.974666
"860163"	220.095466	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-2H+Na"	20.974666
"1626414"	220.095466	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Na-2H"	20.974666
"98573"	216.101863	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M-H+Cl"	33.962126
"538498"	315.662263	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M-H+Cl"	33.962126
"931649"	116.541463	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-H+Cl"	33.962126
"273487"	433.211002	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+Cl"	34.969402
"663723"	632.331802	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+Cl"	34.969402
"1275030"	234.090202	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Cl"	34.969402
"18682"	435.190206	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M-2H+K"	36.948606
"455876"	634.311006	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M-2H+K"	36.948606
"833981"	236.069406	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-2H+K"	36.948606
"1566100"	236.069406	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+K-2H"	36.948606
"944140"	244.118994	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-H+HCOOH"	44.998194
"364543"	443.239801	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+HCOOH-H"	44.998201
"349526"	457.255451	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+Hac-H"	59.013851
"1507477"	258.134651	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Hac-H"	59.013851
"969185"	266.100951	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-H+NaCOOH"	66.980151
"122466"	234.090202	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+2Cl"	69.938804
"560932"	333.650602	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+2Cl"	69.938804
"1028641"	134.529802	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2Cl"	69.938804
"1245301"	278.039685	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Br"	78.918885
"1307386"	280.095672	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Cl+HCOOH"	80.974872
"1323786"	302.077629	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Cl+NaCOOH"	102.956829
"912045"	312.106386	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M-H+CF3COOH"	112.985586
"1290460"	348.083064	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Cl+CF3COOH"	148.962264
"1369711"	164.108124	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H-2H2O"	-35.012676
"1395974"	182.1181	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H-H2O"	-17.0027
"296754"	399.248876	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+H"	1.007276
"686987"	598.369676	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+H"	1.007276
"1362970"	200.128076	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H"	1.007276
"140234"	200.128076	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+2H"	2.014552
"572500"	299.688476	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+2H"	2.014552
"1038621"	100.567676	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2H"	2.014552
"207011"	133.754476	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+3H"	3.021828
"646575"	200.128076	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+3H"	3.021828
"1166880"	67.380876	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+3H"	3.021828
"425777"	416.275423	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+NH4"	18.033823
"787499"	615.396223	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+NH4"	18.033823
"1682126"	217.154623	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+NH4"	18.033823
"332840"	208.6413495	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+H+NH4"	19.041099
"725262"	308.2017495	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+H+NH4"	19.041099
"1478718"	109.0809495	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H+NH4"	19.041099
"408065"	421.230818	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+Na"	22.989218
"762777"	620.351618	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+Na"	22.989218
"1607592"	222.110018	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Na"	22.989218
"317629"	211.119047	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+H+Na"	23.996494
"713331"	310.679447	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+H+Na"	23.996494
"1469339"	111.558647	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H+Na"	23.996494
"1060397"	74.70819	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2H+Na"	25.00377
"1265357"	232.154286	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+CH3OH+H"	33.033486
"385024"	437.204758	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+K"	38.963158
"743835"	636.325558	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+K"	38.963158
"1546980"	238.083958	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+K"	38.963158
"304153"	219.106017	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+H+K"	39.970434
"695482"	318.666417	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+H+K"	39.970434
"1455866"	119.545617	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H+K"	39.970434
"245561"	440.275426	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+ACN+H"	42.033826
"1216084"	241.154626	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+ACN+H"	42.033826
"1203252"	121.080951	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+ACN+2H"	43.041102
"193935"	443.21276	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+2Na-H"	44.97116
"634590"	642.33356	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+2Na-H"	44.97116
"1140283"	244.09196	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2Na-H"	44.97116
"181390"	222.110018	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+2Na"	45.978436
"616942"	321.670418	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+2Na"	45.978436
"1120081"	122.549618	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2Na"	45.978436
"1402146"	82.035504	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H+2Na"	46.985712
"1434260"	246.133546	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H+HCOOH"	47.012746
"225416"	227.14304	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+3H2O+2H"	56.04448
"1513111"	260.18559	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+IsoProp+H"	61.06479
"409879"	230.096988	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+Na+K"	61.952376
"777439"	329.657388	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+Na+K"	61.952376
"1668300"	130.536588	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Na+K"	61.952376
"253000"	462.257368	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+ACN+Na"	64.015768
"1226801"	263.136568	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+ACN+Na"	64.015768
"1713009"	263.160093	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+NH4+HCOOH"	64.039293
"1178767"	89.362818	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+3Na"	68.967654
"1655309"	268.115488	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Na+HCOOH"	68.994688
"157280"	475.16064	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+2K-H"	76.91904
"598452"	674.28144	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+2K-H"	76.91904
"1084787"	276.03984	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2K-H"	76.91904
"141492"	238.083958	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"2M+2K"	77.926316
"581392"	337.644358	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"3M+2K"	77.926316
"1069447"	138.523558	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2K"	77.926316
"1112747"	278.054392	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2K+H"	78.933592
"1336616"	278.142007	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+DMSO+H"	79.021207
"1009278"	282.181176	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2ACN+H"	83.060376
"1526311"	283.174808	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+IsoProp+Na+H"	84.054008
"991665"	141.594226	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+2ACN+2H"	84.067652
"1587990"	284.089428	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+K+HCOOH"	84.968628
"1417294"	314.120938	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+H+CF3COOH"	115.000138
"1158529"	162.107501	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+3ACN+2H"	125.094202
"1709172"	331.147485	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+NH4+CF3COOH"	132.026685
"1637170"	336.10288	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+Na+CF3COOH"	136.98208
"1578289"	352.07682	"C21197"	"N-Hexanoyl-L-homoserine lactone;C6-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyl-hexanamide"	"C10H17NO3"	"199.1208"	"M+K+CF3COOH"	152.95602
"805373"	213.1001	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M"	0
"985468"	194.08171	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H2O-H"	-19.01839
"74804"	141.059457333333	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-3H"	-3.021828
"517281"	212.092824	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-3H"	-3.021828
"895494"	70.0260906666667	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-3H"	-3.021828
"7466"	212.092824	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H"	-2.014552
"441923"	318.642874	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H"	-2.014552
"822643"	105.542774	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H"	-2.014552
"88101"	425.192924	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-H"	-1.007276
"526564"	638.293024	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-H"	-1.007276
"904366"	212.092824	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H"	-1.007276
"54368"	442.219471	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H+NH4"	16.019271
"495021"	655.319571	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H+NH4"	16.019271
"876103"	229.119371	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H+NH4"	16.019271
"40723"	447.174866	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H+Na"	20.974666
"483935"	660.274966	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H+Na"	20.974666
"863070"	234.074766	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H+Na"	20.974666
"1631995"	234.074766	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na-2H"	20.974666
"100872"	230.081163	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-H+Cl"	33.962126
"540431"	336.631213	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-H+Cl"	33.962126
"931759"	123.531113	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+Cl"	33.962126
"273597"	461.169602	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Cl"	34.969402
"663105"	674.269702	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+Cl"	34.969402
"1279517"	248.069502	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl"	34.969402
"19887"	463.148806	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M-2H+K"	36.948606
"456774"	676.248906	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M-2H+K"	36.948606
"837251"	250.048706	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-2H+K"	36.948606
"1566210"	250.048706	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K-2H"	36.948606
"944007"	258.098294	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+HCOOH"	44.998194
"366839"	471.198401	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+HCOOH-H"	44.998201
"346832"	485.214051	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Hac-H"	59.013851
"1501754"	272.113951	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Hac-H"	59.013851
"968202"	280.080251	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+NaCOOH"	66.980151
"121483"	248.069502	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2Cl"	69.938804
"561042"	354.619552	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2Cl"	69.938804
"1029844"	141.519452	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2Cl"	69.938804
"1244682"	292.018985	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Br"	78.918885
"1308224"	294.074972	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl+HCOOH"	80.974872
"1322438"	316.056929	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl+NaCOOH"	102.956829
"912034"	326.085686	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M-H+CF3COOH"	112.985586
"1289112"	362.062364	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Cl+CF3COOH"	148.962264
"1368727"	178.087424	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H-2H2O"	-35.012676
"1393894"	196.0974	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H-H2O"	-17.0027
"295404"	427.207476	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H"	1.007276
"690011"	640.307576	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H"	1.007276
"1364537"	214.107376	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H"	1.007276
"136697"	214.107376	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2H"	2.014552
"571516"	320.657426	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2H"	2.014552
"1039217"	107.557326	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2H"	2.014552
"206025"	143.074009333333	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+3H"	3.021828
"647777"	214.107376	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+3H"	3.021828
"1164438"	72.0406426666667	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+3H"	3.021828
"426251"	444.234023	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+NH4"	18.033823
"786029"	657.334123	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+NH4"	18.033823
"1682476"	231.133923	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+NH4"	18.033823
"330275"	222.6206495	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H+NH4"	19.041099
"723784"	329.1706995	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H+NH4"	19.041099
"1477284"	116.0705995	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+NH4"	19.041099
"404080"	449.189418	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Na"	22.989218
"758512"	662.289518	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+Na"	22.989218
"1605515"	236.089318	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na"	22.989218
"315672"	225.098347	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H+Na"	23.996494
"711254"	331.648397	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H+Na"	23.996494
"1466169"	118.548297	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+Na"	23.996494
"1057226"	79.3679566666667	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2H+Na"	25.00377
"1264373"	246.133586	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+CH3OH+H"	33.033486
"381854"	465.163358	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+K"	38.963158
"745038"	678.263458	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+K"	38.963158
"1547090"	252.063258	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K"	38.963158
"304264"	233.085317	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+H+K"	39.970434
"695593"	339.635367	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+H+K"	39.970434
"1451602"	126.535267	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+K"	39.970434
"245671"	468.234026	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+ACN+H"	42.033826
"1218382"	255.133926	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+ACN+H"	42.033826
"1205545"	128.070601	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+ACN+2H"	43.041102
"196232"	471.17136	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2Na-H"	44.97116
"634700"	684.27146	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2Na-H"	44.97116
"1141487"	258.07126	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2Na-H"	44.97116
"178220"	236.089318	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2Na"	45.978436
"615593"	342.639368	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2Na"	45.978436
"1119461"	129.539268	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2Na"	45.978436
"1401528"	86.6952706666667	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+2Na"	46.985712
"1434006"	260.112846	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+HCOOH"	47.012746
"225526"	241.12234	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+3H2O+2H"	56.04448
"1511399"	274.16489	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+IsoProp+H"	61.06479
"412541"	244.076288	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+Na+K"	61.952376
"776455"	350.626338	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+Na+K"	61.952376
"1670232"	137.526238	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na+K"	61.952376
"255296"	490.215968	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+ACN+Na"	64.015768
"1227276"	277.115868	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+ACN+Na"	64.015768
"1713849"	277.139393	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+NH4+HCOOH"	64.039293
"1179080"	94.0225846666667	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+3Na"	68.967654
"1650428"	282.094788	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na+HCOOH"	68.994688
"157535"	503.11924	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2K-H"	76.91904
"599412"	716.21934	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2K-H"	76.91904
"1084853"	290.01914	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2K-H"	76.91904
"141834"	252.063258	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"2M+2K"	77.926316
"581714"	358.613308	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"3M+2K"	77.926316
"1069186"	145.513208	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2K"	77.926316
"1100941"	292.033692	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2K+H"	78.933592
"1337575"	292.121307	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+DMSO+H"	79.021207
"1006472"	296.160476	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2ACN+H"	83.060376
"1524827"	297.154108	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+IsoProp+Na+H"	84.054008
"990677"	148.583876	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+2ACN+2H"	84.067652
"1589194"	298.068728	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K+HCOOH"	84.968628
"1415582"	328.100238	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+H+CF3COOH"	115.000138
"1148422"	169.097151	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+3ACN+2H"	125.094202
"1709283"	345.126785	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+NH4+CF3COOH"	132.026685
"1637280"	350.08218	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+Na+CF3COOH"	136.98208
"1578399"	366.05612	"C21198"	"N-(3-Oxohexanoyl)-L-homoserine lactone;3-Oxo-C6-HSL;N-(beta-Ketocaproyl)-L-homoserine lactone"	"C10H15NO4"	"213.1001"	"M+K+CF3COOH"	152.95602
"813140"	227.1521	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M"	0
"985579"	208.13371	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-H2O-H"	-19.01839
"77104"	150.427457333333	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M-3H"	-3.021828
"516664"	226.144824	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M-3H"	-3.021828
"893376"	74.7100906666667	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-3H"	-3.021828
"4296"	226.144824	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M-2H"	-2.014552
"449323"	339.720874	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M-2H"	-2.014552
"822023"	112.568774	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-2H"	-2.014552
"82744"	453.296924	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M-H"	-1.007276
"532142"	680.449024	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M-H"	-1.007276
"902290"	226.144824	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-H"	-1.007276
"54479"	470.323471	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M-2H+NH4"	16.019271
"495131"	697.475571	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M-2H+NH4"	16.019271
"874025"	243.171371	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-2H+NH4"	16.019271
"41927"	475.278866	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M-2H+Na"	20.974666
"483675"	702.430966	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M-2H+Na"	20.974666
"862936"	248.126766	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-2H+Na"	20.974666
"1630647"	248.126766	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Na-2H"	20.974666
"104263"	244.133163	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M-H+Cl"	33.962126
"543822"	357.709213	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M-H+Cl"	33.962126
"940617"	130.557113	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-H+Cl"	33.962126
"275894"	489.273602	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+Cl"	34.969402
"663943"	716.425702	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+Cl"	34.969402
"1277076"	262.121502	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Cl"	34.969402
"23278"	491.252806	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M-2H+K"	36.948606
"458098"	718.404906	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M-2H+K"	36.948606
"836268"	264.100706	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-2H+K"	36.948606
"1566320"	264.100706	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+K-2H"	36.948606
"946912"	272.150294	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-H+HCOOH"	44.998194
"364761"	499.302401	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+HCOOH-H"	44.998201
"346819"	513.318051	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+Hac-H"	59.013851
"1501863"	286.165951	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Hac-H"	59.013851
"972685"	294.132251	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-H+NaCOOH"	66.980151
"122685"	262.121502	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+2Cl"	69.938804
"561152"	375.697552	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+2Cl"	69.938804
"1027039"	148.545452	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2Cl"	69.938804
"1245157"	306.070985	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Br"	78.918885
"1306147"	308.126972	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Cl+HCOOH"	80.974872
"1321455"	330.108929	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Cl+NaCOOH"	102.956829
"912872"	340.137686	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M-H+CF3COOH"	112.985586
"1289587"	376.114364	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Cl+CF3COOH"	148.962264
"1369931"	192.139424	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H-2H2O"	-35.012676
"1389631"	210.1494	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H-H2O"	-17.0027
"296244"	455.311476	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+H"	1.007276
"690485"	682.463576	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+H"	1.007276
"1365741"	228.159376	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H"	1.007276
"135347"	228.159376	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+2H"	2.014552
"570533"	341.735426	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+2H"	2.014552
"1037623"	114.583326	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2H"	2.014552
"205407"	152.442009333333	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+3H"	3.021828
"647159"	228.159376	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+3H"	3.021828
"1164548"	76.7246426666667	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+3H"	3.021828
"426725"	472.338023	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+NH4"	18.033823
"786746"	699.490123	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+NH4"	18.033823
"1682591"	245.185923	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+NH4"	18.033823
"330000"	236.6726495	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+H+NH4"	19.041099
"723533"	350.2486995	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+H+NH4"	19.041099
"1478566"	123.0965995	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H+NH4"	19.041099
"395440"	477.293418	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+Na"	22.989218
"756796"	704.445518	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+Na"	22.989218
"1605624"	250.141318	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Na"	22.989218
"316753"	239.150347	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+H+Na"	23.996494
"711364"	352.726397	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+H+Na"	23.996494
"1465184"	125.574297	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H+Na"	23.996494
"1053324"	84.0519566666667	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2H+Na"	25.00377
"1262294"	260.185586	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+CH3OH+H"	33.033486
"379776"	493.267358	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+K"	38.963158
"746241"	720.419458	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+K"	38.963158
"1548293"	266.115258	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+K"	38.963158
"305468"	247.137317	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+H+K"	39.970434
"698983"	360.713367	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+H+K"	39.970434
"1452806"	133.561267	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H+K"	39.970434
"246875"	496.338026	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+ACN+H"	42.033826
"1221406"	269.185926	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+ACN+H"	42.033826
"1205291"	135.096601	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+ACN+2H"	43.041102
"196342"	499.27536	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+2Na-H"	44.97116
"636993"	726.42746	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+2Na-H"	44.97116
"1144876"	272.12326	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2Na-H"	44.97116
"178330"	250.141318	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+2Na"	45.978436
"617891"	363.717368	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+2Na"	45.978436
"1119572"	136.565268	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2Na"	45.978436
"1403824"	91.3792706666667	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H+2Na"	46.985712
"1437033"	274.164846	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H+HCOOH"	47.012746
"227822"	255.17434	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+3H2O+2H"	56.04448
"1514060"	288.21689	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+IsoProp+H"	61.06479
"411923"	258.128288	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+Na+K"	61.952376
"772917"	371.704338	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+Na+K"	61.952376
"1668885"	144.552238	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Na+K"	61.952376
"257957"	518.319968	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+ACN+Na"	64.015768
"1230304"	291.167868	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+ACN+Na"	64.015768
"1713720"	291.191393	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+NH4+HCOOH"	64.039293
"1179439"	98.7065846666667	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+3Na"	68.967654
"1652249"	296.146788	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Na+HCOOH"	68.994688
"157766"	531.22324	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+2K-H"	76.91904
"599887"	758.37534	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+2K-H"	76.91904
"1085370"	304.07114	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2K-H"	76.91904
"142066"	266.115258	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"2M+2K"	77.926316
"581870"	379.691308	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"3M+2K"	77.926316
"1068847"	152.539208	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2K"	77.926316
"1101053"	306.085692	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2K+H"	78.933592
"1337319"	306.173307	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+DMSO+H"	79.021207
"1008160"	310.212476	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2ACN+H"	83.060376
"1525309"	311.206108	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+IsoProp+Na+H"	84.054008
"991638"	155.609876	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+2ACN+2H"	84.067652
"1590033"	312.120728	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+K+HCOOH"	84.968628
"1416058"	342.152238	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+H+CF3COOH"	115.000138
"1149625"	176.123151	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+3ACN+2H"	125.094202
"1710486"	359.178785	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+NH4+CF3COOH"	132.026685
"1637390"	364.13418	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+Na+CF3COOH"	136.98208
"1578509"	380.10812	"C21199"	"N-Octanoyl-L-homoserine lactone;C8-HSL;N-(3S)-Tetrahydro-2-oxo-3-furanyloctanamide"	"C12H21NO3"	"227.1521"	"M+K+CF3COOH"	152.95602
"814343"	243.1471	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M"	0
"982409"	224.12871	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-H2O-H"	-19.01839
"76850"	161.090790666667	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M-3H"	-3.021828
"515316"	242.139824	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M-3H"	-3.021828
"894215"	80.0417573333333	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-3H"	-3.021828
"10965"	242.139824	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M-2H"	-2.014552
"450527"	363.713374	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M-2H"	-2.014552
"829422"	120.566274	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-2H"	-2.014552
"86135"	485.286924	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M-H"	-1.007276
"528972"	728.434024	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M-H"	-1.007276
"904587"	242.139824	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-H"	-1.007276
"54589"	502.313471	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M-2H+NH4"	16.019271
"494148"	745.460571	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M-2H+NH4"	16.019271
"871950"	259.166371	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-2H+NH4"	16.019271
"44225"	507.268866	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M-2H+Na"	20.974666
"483786"	750.415966	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M-2H+Na"	20.974666
"862682"	264.121766	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-2H+Na"	20.974666
"1630757"	264.121766	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Na-2H"	20.974666
"100001"	260.128163	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M-H+Cl"	33.962126
"539559"	381.701713	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M-H+Cl"	33.962126
"931981"	138.554613	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-H+Cl"	33.962126
"276006"	521.263602	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+Cl"	34.969402
"669522"	764.410702	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+Cl"	34.969402
"1283018"	278.116502	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Cl"	34.969402
"23388"	523.242806	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M-2H+K"	36.948606
"457237"	766.389906	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M-2H+K"	36.948606
"835284"	280.095706	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-2H+K"	36.948606
"1562055"	280.095706	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+K-2H"	36.948606
"946658"	288.145294	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-H+HCOOH"	44.998194
"368152"	531.292401	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+HCOOH-H"	44.998201
"351307"	545.308051	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+Hac-H"	59.013851
"1503064"	302.160951	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Hac-H"	59.013851
"973365"	310.127251	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-H+NaCOOH"	66.980151
"120608"	278.116502	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+2Cl"	69.938804
"557981"	399.690052	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+2Cl"	69.938804
"1028971"	156.542952	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2Cl"	69.938804
"1245996"	322.065985	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Br"	78.918885
"1309537"	324.121972	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Cl+HCOOH"	80.974872
"1322658"	346.103929	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Cl+NaCOOH"	102.956829
"912619"	356.132686	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M-H+CF3COOH"	112.985586
"1289697"	392.109364	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Cl+CF3COOH"	148.962264
"1370042"	208.134424	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H-2H2O"	-35.012676
"1391929"	226.1444	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H-H2O"	-17.0027
"295990"	487.301476	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+H"	1.007276
"690842"	730.448576	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+H"	1.007276
"1366216"	244.154376	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H"	1.007276
"137645"	244.154376	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+2H"	2.014552
"572830"	365.727926	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+2H"	2.014552
"1039803"	122.580826	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2H"	2.014552
"205880"	163.105342666667	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+3H"	3.021828
"649092"	244.154376	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+3H"	3.021828
"1164659"	82.0563093333333	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+3H"	3.021828
"425744"	504.328023	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+NH4"	18.033823
"786007"	747.475123	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+NH4"	18.033823
"1681973"	261.180923	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+NH4"	18.033823
"330170"	252.6676495	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+H+NH4"	19.041099
"722955"	374.2411995	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+H+NH4"	19.041099
"1477225"	131.0940995	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H+NH4"	19.041099
"396642"	509.283418	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+Na"	22.989218
"755812"	752.430518	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+Na"	22.989218
"1604882"	266.136318	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Na"	22.989218
"314503"	255.145347	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+H+Na"	23.996494
"707582"	376.718897	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+H+Na"	23.996494
"1462010"	133.571797	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H+Na"	23.996494
"1055257"	89.3836233333333	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2H+Na"	25.00377
"1262404"	276.180586	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+CH3OH+H"	33.033486
"380979"	525.257358	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+K"	38.963158
"744164"	768.404458	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+K"	38.963158
"1547309"	282.110258	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+K"	38.963158
"305578"	263.132317	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+H+K"	39.970434
"696905"	384.705867	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+H+K"	39.970434
"1452916"	141.558767	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H+K"	39.970434
"244798"	528.328026	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+ACN+H"	42.033826
"1218600"	285.180926	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+ACN+H"	42.033826
"1204307"	143.094101	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+ACN+2H"	43.041102
"197545"	531.26536	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+2Na-H"	44.97116
"637105"	774.41246	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+2Na-H"	44.97116
"1137332"	288.11826	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2Na-H"	44.97116
"180626"	266.136318	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+2Na"	45.978436
"616908"	387.709868	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+2Na"	45.978436
"1120411"	144.562768	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2Na"	45.978436
"1400656"	96.7109373333333	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H+2Na"	46.985712
"1433133"	290.159846	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H+HCOOH"	47.012746
"226839"	271.16934	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+3H2O+2H"	56.04448
"1511255"	304.21189	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+IsoProp+H"	61.06479
"410211"	274.123288	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+Na+K"	61.952376
"771206"	395.696838	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+Na+K"	61.952376
"1668632"	152.549738	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Na+K"	61.952376
"255152"	550.309968	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+ACN+Na"	64.015768
"1232237"	307.162868	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+ACN+Na"	64.015768
"1713100"	307.186393	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+NH4+HCOOH"	64.039293
"1179185"	104.038251333333	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+3Na"	68.967654
"1653818"	312.141788	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Na+HCOOH"	68.994688
"160314"	563.21324	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+2K-H"	76.91904
"599755"	806.36034	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+2K-H"	76.91904
"1085726"	320.06614	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2K-H"	76.91904
"141609"	282.110258	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"2M+2K"	77.926316
"582712"	403.683808	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"3M+2K"	77.926316
"1068718"	160.536708	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2K"	77.926316
"1101039"	322.080692	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2K+H"	78.933592
"1337672"	322.168307	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+DMSO+H"	79.021207
"1007297"	326.207476	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2ACN+H"	83.060376
"1525177"	327.201108	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+IsoProp+Na+H"	84.054008
"990896"	163.607376	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+2ACN+2H"	84.067652
"1589045"	328.115728	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+K+HCOOH"	84.968628
"1414825"	358.147238	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+H+CF3COOH"	115.000138
"1149370"	184.120651	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+3ACN+2H"	125.094202
"1710596"	375.173785	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+NH4+CF3COOH"	132.026685
"1637500"	380.12918	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+Na+CF3COOH"	136.98208
"1578619"	396.10312	"C21200"	"N-3-Hydroxyoctanoyl-L-homoserine lactone;3-OH-C8-HSL;3-Hydroxy-N-(3S)-tetrahydro-2-oxo-3-furanyl-octanamide"	"C12H21NO4"	"243.1471"	"M+K+CF3COOH"	152.95602
"813360"	297.194	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M"	0
"983613"	278.17561	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-H2O-H"	-19.01839
"76233"	197.122057333333	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M-3H"	-3.021828
"513604"	296.186724	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M-3H"	-3.021828
"892502"	98.0573906666667	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-3H"	-3.021828
"7795"	296.186724	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M-2H"	-2.014552
"449544"	444.783724	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M-2H"	-2.014552
"828438"	147.589724	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-2H"	-2.014552
"85151"	593.380724	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M-H"	-1.007276
"529082"	890.574724	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M-H"	-1.007276
"899594"	296.186724	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-H"	-1.007276
"55792"	610.407271	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M-2H+NH4"	16.019271
"494258"	907.601271	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M-2H+NH4"	16.019271
"870966"	313.213271	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-2H+NH4"	16.019271
"39961"	615.362666	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M-2H+Na"	20.974666
"483897"	912.556666	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M-2H+Na"	20.974666
"861335"	318.168666	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-2H+Na"	20.974666
"1630139"	318.168666	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Na-2H"	20.974666
"102299"	314.175063	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M-H+Cl"	33.962126
"541858"	462.772063	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M-H+Cl"	33.962126
"934278"	165.578063	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-H+Cl"	33.962126
"276117"	629.357402	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+Cl"	34.969402
"669632"	926.551402	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+Cl"	34.969402
"1279848"	332.163402	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Cl"	34.969402
"26778"	631.336606	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M-2H+K"	36.948606
"456051"	928.530606	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M-2H+K"	36.948606
"833043"	334.142606	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-2H+K"	36.948606
"1562165"	334.142606	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+K-2H"	36.948606
"947133"	342.192194	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-H+HCOOH"	44.998194
"368263"	639.386201	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+HCOOH-H"	44.998201
"351417"	653.401851	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+Hac-H"	59.013851
"1505360"	356.207851	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Hac-H"	59.013851
"974002"	364.174151	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-H+NaCOOH"	66.980151
"120718"	332.163402	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+2Cl"	69.938804
"555175"	480.760402	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+2Cl"	69.938804
"1026893"	183.566402	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2Cl"	69.938804
"1246106"	376.112885	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Br"	78.918885
"1306367"	378.168872	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Cl+HCOOH"	80.974872
"1321675"	400.150829	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Cl+NaCOOH"	102.956829
"911393"	410.179586	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M-H+CF3COOH"	112.985586
"1289116"	446.156264	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Cl+CF3COOH"	148.962264
"1368329"	262.181324	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H-2H2O"	-35.012676
"1395320"	280.1913	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H-H2O"	-17.0027
"297558"	595.395276	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+H"	1.007276
"691349"	892.589276	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+H"	1.007276
"1363043"	298.201276	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H"	1.007276
"137391"	298.201276	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+2H"	2.014552
"572940"	446.798276	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+2H"	2.014552
"1039913"	149.604276	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2H"	2.014552
"205992"	199.136609333333	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+3H"	3.021828
"650295"	298.201276	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+3H"	3.021828
"1164041"	100.071942666667	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+3H"	3.021828
"425854"	612.421823	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+NH4"	18.033823
"786240"	909.615823	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+NH4"	18.033823
"1682448"	315.227823	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+NH4"	18.033823
"330730"	306.7145495	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+H+NH4"	19.041099
"724245"	455.3115495	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+H+NH4"	19.041099
"1479159"	158.1175495	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H+NH4"	19.041099
"395659"	617.377218	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+Na"	22.989218
"754505"	914.571218	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+Na"	22.989218
"1605843"	320.183218	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Na"	22.989218
"314782"	309.192247	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+H+Na"	23.996494
"707365"	457.789247	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+H+Na"	23.996494
"1463582"	160.595247	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H+Na"	23.996494
"1053260"	107.399256666667	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2H+Na"	25.00377
"1263607"	330.227486	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+CH3OH+H"	33.033486
"378902"	633.351158	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+K"	38.963158
"744274"	930.545158	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+K"	38.963158
"1547418"	336.157158	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+K"	38.963158
"306781"	317.179217	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+H+K"	39.970434
"700297"	465.776217	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+H+K"	39.970434
"1453027"	168.582217	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H+K"	39.970434
"247095"	636.421826	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+ACN+H"	42.033826
"1219805"	339.227826	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+ACN+H"	42.033826
"1203690"	170.117551	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+ACN+2H"	43.041102
"199842"	639.35916	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+2Na-H"	44.97116
"642682"	936.55316	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+2Na-H"	44.97116
"1139628"	342.16516	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2Na-H"	44.97116
"176361"	320.183218	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+2Na"	45.978436
"618112"	468.780218	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+2Na"	45.978436
"1119428"	171.586218	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2Na"	45.978436
"1400765"	114.726570666667	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H+2Na"	46.985712
"1432878"	344.206746	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H+HCOOH"	47.012746
"221842"	325.21624	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+3H2O+2H"	56.04448
"1511365"	358.25879	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+IsoProp+H"	61.06479
"410322"	328.170188	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+Na+K"	61.952376
"772410"	476.767188	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+Na+K"	61.952376
"1668377"	179.573188	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Na+K"	61.952376
"253806"	658.403768	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+ACN+Na"	64.015768
"1232347"	361.209768	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+ACN+Na"	64.015768
"1713576"	361.233293	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+NH4+HCOOH"	64.039293
"1178930"	122.053884666667	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+3Na"	68.967654
"1650402"	366.188688	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Na+HCOOH"	68.994688
"159696"	671.30704	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+2K-H"	76.91904
"599623"	968.50104	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+2K-H"	76.91904
"1084375"	374.11304	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2K-H"	76.91904
"143383"	336.157158	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"2M+2K"	77.926316
"582456"	484.754158	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"3M+2K"	77.926316
"1069029"	187.560158	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2K"	77.926316
"1100294"	376.127592	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2K+H"	78.933592
"1336932"	376.215207	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+DMSO+H"	79.021207
"1007164"	380.254376	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2ACN+H"	83.060376
"1524922"	381.248008	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+IsoProp+Na+H"	84.054008
"989958"	190.630826	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+2ACN+2H"	84.067652
"1588669"	382.162628	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+K+HCOOH"	84.968628
"1414568"	412.194138	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+H+CF3COOH"	115.000138
"1148388"	211.144101	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+3ACN+2H"	125.094202
"1710706"	429.220685	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+NH4+CF3COOH"	132.026685
"1644171"	434.17608	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+Na+CF3COOH"	136.98208
"1578729"	450.15002	"C21201"	"N-3-Oxo-dodecanoyl-L-homoserine lactone;3-Oxo-C12-HSL;3-Oxo-N-(3S)-tetrahydro-2-oxo-3-furanyl-dodecanamide"	"C16H27NO4"	"297.194"	"M+K+CF3COOH"	152.95602
"814563"	198.162	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M"	0
"984816"	179.14361	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-H2O-H"	-19.01839
"74519"	131.100724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M-3H"	-3.021828
"515173"	197.154724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M-3H"	-3.021828
"892615"	65.046724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-3H"	-3.021828
"6812"	197.154724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M-2H"	-2.014552
"448559"	296.235724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M-2H"	-2.014552
"824174"	98.073724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-2H"	-2.014552
"85260"	395.316724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M-H"	-1.007276
"523727"	593.478724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M-H"	-1.007276
"906995"	197.154724	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-H"	-1.007276
"55903"	412.343271	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M-2H+NH4"	16.019271
"499836"	610.505271	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M-2H+NH4"	16.019271
"872174"	214.181271	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-2H+NH4"	16.019271
"44447"	417.298666	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M-2H+Na"	20.974666
"484737"	615.460666	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M-2H+Na"	20.974666
"861446"	219.136666	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-2H+Na"	20.974666
"1625877"	219.136666	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Na-2H"	20.974666
"101317"	215.143063	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M-H+Cl"	33.962126
"544155"	314.224063	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M-H+Cl"	33.962126
"934390"	116.062063	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-H+Cl"	33.962126
"280846"	431.293402	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+Cl"	34.969402
"673390"	629.455402	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+Cl"	34.969402
"1283239"	233.131402	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Cl"	34.969402
"24702"	433.272606	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M-2H+K"	36.948606
"456159"	631.434606	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M-2H+K"	36.948606
"838786"	235.110606	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-2H+K"	36.948606
"1555622"	235.110606	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+K-2H"	36.948606
"951253"	243.160194	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-H+HCOOH"	44.998194
"368372"	441.322201	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+HCOOH-H"	44.998201
"351527"	455.337851	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+Hac-H"	59.013851
"1497079"	257.175851	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Hac-H"	59.013851
"973016"	265.142151	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-H+NaCOOH"	66.980151
"120829"	233.131402	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+2Cl"	69.938804
"556014"	332.212402	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+2Cl"	69.938804
"1025910"	134.050402	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2Cl"	69.938804
"1246216"	277.080885	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Br"	78.918885
"1307570"	279.136872	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Cl+HCOOH"	80.974872
"1320567"	301.118829	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Cl+NaCOOH"	102.956829
"912234"	311.147586	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M-H+CF3COOH"	112.985586
"1289065"	347.124264	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Cl+CF3COOH"	148.962264
"1369534"	163.149324	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H-2H2O"	-35.012676
"1397618"	181.1593	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H-H2O"	-17.0027
"298238"	397.331276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+H"	1.007276
"691020"	595.493276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+H"	1.007276
"1363517"	199.169276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H"	1.007276
"137865"	199.169276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+2H"	2.014552
"573050"	298.250276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+2H"	2.014552
"1037836"	100.088276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2H"	2.014552
"205737"	133.115276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+3H"	3.021828
"650405"	199.169276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+3H"	3.021828
"1164150"	67.061276	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+3H"	3.021828
"425966"	414.357823	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+NH4"	18.033823
"788418"	612.519823	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+NH4"	18.033823
"1684748"	216.195823	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+NH4"	18.033823
"333028"	207.6825495	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+H+NH4"	19.041099
"727634"	306.7635495	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+H+NH4"	19.041099
"1480364"	108.6015495	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H+NH4"	19.041099
"393580"	419.313218	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+Na"	22.989218
"756393"	617.475218	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+Na"	22.989218
"1604611"	221.151218	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Na"	22.989218
"315988"	210.160247	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+H+Na"	23.996494
"708410"	309.241247	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+H+Na"	23.996494
"1463327"	111.079247	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H+Na"	23.996494
"1053408"	74.38859	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2H+Na"	25.00377
"1261528"	231.195486	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+CH3OH+H"	33.033486
"381562"	435.287158	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+K"	38.963158
"744385"	633.449158	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+K"	38.963158
"1545346"	237.125158	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+K"	38.963158
"306894"	218.147217	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+H+K"	39.970434
"700774"	317.228217	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+H+K"	39.970434
"1456783"	119.066217	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H+K"	39.970434
"248301"	438.357826	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+ACN+H"	42.033826
"1219918"	240.195826	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+ACN+H"	42.033826
"1208904"	120.601551	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+ACN+2H"	43.041102
"200683"	441.29516	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+2Na-H"	44.97116
"638055"	639.45716	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+2Na-H"	44.97116
"1143018"	243.13316	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2Na-H"	44.97116
"180844"	221.151218	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+2Na"	45.978436
"619314"	320.232218	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+2Na"	45.978436
"1120633"	122.070218	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2Na"	45.978436
"1401970"	81.715904	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H+2Na"	46.985712
"1432989"	245.174746	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H+HCOOH"	47.012746
"221710"	226.18424	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+3H2O+2H"	56.04448
"1510746"	259.22679	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+IsoProp+H"	61.06479
"411528"	229.138188	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+Na+K"	61.952376
"774342"	328.219188	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+Na+K"	61.952376
"1672134"	130.057188	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Na+K"	61.952376
"255379"	460.339768	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+ACN+Na"	64.015768
"1229907"	262.177768	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+ACN+Na"	64.015768
"1718427"	262.201293	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+NH4+HCOOH"	64.039293
"1184147"	89.043218	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+3Na"	68.967654
"1656228"	267.156688	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Na+HCOOH"	68.994688
"161266"	473.24304	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+2K-H"	76.91904
"601920"	671.40504	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+2K-H"	76.91904
"1086432"	275.08104	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2K-H"	76.91904
"144345"	237.125158	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"2M+2K"	77.926316
"582810"	336.206158	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"3M+2K"	77.926316
"1071698"	138.044158	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2K"	77.926316
"1102114"	277.095592	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2K+H"	78.933592
"1337284"	277.183207	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+DMSO+H"	79.021207
"1005853"	281.222376	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2ACN+H"	83.060376
"1525643"	282.216008	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+IsoProp+Na+H"	84.054008
"991724"	141.114826	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+2ACN+2H"	84.067652
"1588173"	283.130628	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+K+HCOOH"	84.968628
"1414558"	313.162138	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+H+CF3COOH"	115.000138
"1147525"	161.628101	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+3ACN+2H"	125.094202
"1704253"	330.188685	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+NH4+CF3COOH"	132.026685
"1636624"	335.14408	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+Na+CF3COOH"	136.98208
"1578839"	351.11802	"C21202"	"cis-2-Dodecenoic acid;BDSF"	"C12H22O2"	"198.162"	"M+K+CF3COOH"	152.95602
"812486"	234.1021	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M"	0
"984926"	215.08371	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-H2O-H"	-19.01839
"66606"	155.060790666667	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M-3H"	-3.021828
"510541"	233.094824	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M-3H"	-3.021828
"889441"	77.0267573333333	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-3H"	-3.021828
"5830"	233.094824	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M-2H"	-2.014552
"445388"	350.145874	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M-2H"	-2.014552
"826471"	116.043774	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-2H"	-2.014552
"85370"	467.196924	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M-H"	-1.007276
"526022"	701.299024	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M-H"	-1.007276
"902728"	233.094824	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-H"	-1.007276
"54917"	484.223471	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M-2H+NH4"	16.019271
"494840"	718.325571	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M-2H+NH4"	16.019271
"873374"	250.121371	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-2H+NH4"	16.019271
"42371"	489.178866	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M-2H+Na"	20.974666
"483024"	723.280966	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M-2H+Na"	20.974666
"857544"	255.076766	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-2H+Na"	20.974666
"1631454"	255.076766	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Na-2H"	20.974666
"100327"	251.083163	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M-H+Cl"	33.962126
"536973"	368.134213	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M-H+Cl"	33.962126
"933405"	134.032113	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-H+Cl"	33.962126
"268312"	503.173602	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+Cl"	34.969402
"666572"	737.275702	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+Cl"	34.969402
"1274602"	269.071502	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Cl"	34.969402
"20439"	505.152806	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M-2H+K"	36.948606
"461092"	739.254906	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M-2H+K"	36.948606
"839988"	271.050706	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-2H+K"	36.948606
"1560195"	271.050706	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+K-2H"	36.948606
"946989"	279.100294	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-H+HCOOH"	44.998194
"366295"	513.202401	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+HCOOH-H"	44.998201
"349085"	527.218051	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+Hac-H"	59.013851
"1497918"	293.115951	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Hac-H"	59.013851
"963276"	301.082251	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-H+NaCOOH"	66.980151
"113281"	269.071502	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+2Cl"	69.938804
"554666"	386.122552	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+2Cl"	69.938804
"1023101"	152.020452	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2Cl"	69.938804
"1243410"	313.020985	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Br"	78.918885
"1306951"	315.076972	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Cl+HCOOH"	80.974872
"1322257"	337.058929	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Cl+NaCOOH"	102.956829
"912099"	347.087686	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M-H+CF3COOH"	112.985586
"1289778"	383.064364	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Cl+CF3COOH"	148.962264
"1368304"	199.089424	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H-2H2O"	-35.012676
"1396633"	217.0994	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H-H2O"	-17.0027
"297291"	469.211476	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+H"	1.007276
"690807"	703.313576	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+H"	1.007276
"1360347"	235.109376	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H"	1.007276
"135059"	235.109376	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+2H"	2.014552
"573160"	352.160426	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+2H"	2.014552
"1037781"	118.058326	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2H"	2.014552
"206578"	157.075342666667	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+3H"	3.021828
"649421"	235.109376	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+3H"	3.021828
"1165355"	79.0413093333333	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+3H"	3.021828
"428627"	486.238023	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+NH4"	18.033823
"790715"	720.340123	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+NH4"	18.033823
"1689233"	252.135923	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+NH4"	18.033823
"336418"	243.6226495	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+H+NH4"	19.041099
"729932"	360.6736995	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+H+NH4"	19.041099
"1484847"	126.5715995	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H+NH4"	19.041099
"395877"	491.193418	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+Na"	22.989218
"757963"	725.295518	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+Na"	22.989218
"1606061"	257.091318	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Na"	22.989218
"318286"	246.100347	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+H+Na"	23.996494
"710707"	363.151397	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+H+Na"	23.996494
"1463558"	129.049297	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H+Na"	23.996494
"1057774"	86.3686233333333	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2H+Na"	25.00377
"1263826"	267.135586	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+CH3OH+H"	33.033486
"382401"	507.167358	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+K"	38.963158
"746680"	741.269458	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+K"	38.963158
"1550920"	273.065258	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+K"	38.963158
"308097"	254.087317	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+H+K"	39.970434
"700519"	371.138367	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+H+K"	39.970434
"1456529"	137.036267	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H+K"	39.970434
"248412"	510.238026	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+ACN+H"	42.033826
"1222944"	276.135926	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+ACN+H"	42.033826
"1209424"	138.571601	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+ACN+2H"	43.041102
"201887"	513.17536	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+2Na-H"	44.97116
"642784"	747.27746	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+2Na-H"	44.97116
"1142034"	279.07326	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2Na-H"	44.97116
"183141"	257.091318	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+2Na"	45.978436
"618331"	374.142368	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+2Na"	45.978436
"1124023"	140.040268	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2Na"	45.978436
"1406453"	93.6959373333333	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H+2Na"	46.985712
"1436380"	281.114846	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H+HCOOH"	47.012746
"226077"	262.12434	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+3H2O+2H"	56.04448
"1518148"	295.16689	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+IsoProp+H"	61.06479
"417105"	265.078288	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+Na+K"	61.952376
"779193"	382.129338	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+Na+K"	61.952376
"1674795"	148.027238	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Na+K"	61.952376
"259862"	532.219968	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+ACN+Na"	64.015768
"1234757"	298.117868	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+ACN+Na"	64.015768
"1719267"	298.141393	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+NH4+HCOOH"	64.039293
"1186808"	101.023251333333	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+3Na"	68.967654
"1660347"	303.096788	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Na+HCOOH"	68.994688
"162469"	545.12324	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+2K-H"	76.91904
"604217"	779.22534	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+2K-H"	76.91904
"1087635"	311.02114	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2K-H"	76.91904
"147735"	273.065258	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"2M+2K"	77.926316
"585471"	390.116308	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"3M+2K"	77.926316
"1075088"	156.014208	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2K"	77.926316
"1101860"	313.035692	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2K+H"	78.933592
"1335934"	313.123307	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+DMSO+H"	79.021207
"1006162"	317.162476	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2ACN+H"	83.060376
"1524535"	318.156108	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+IsoProp+Na+H"	84.054008
"993416"	159.084876	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+2ACN+2H"	84.067652
"1591199"	319.070728	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+K+HCOOH"	84.968628
"1415154"	349.102238	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+H+CF3COOH"	115.000138
"1147514"	179.598151	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+3ACN+2H"	125.094202
"1704363"	366.128785	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+NH4+CF3COOH"	132.026685
"1637827"	371.08418	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+Na+CF3COOH"	136.98208
"1578949"	387.05812	"C21203"	"Geranyl phosphate"	"C10H19O4P"	"234.1021"	"M+K+CF3COOH"	152.95602
"812596"	274.0454	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M"	0
"983943"	255.02701	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H2O-H"	-19.01839
"68904"	181.689657333333	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-3H"	-3.021828
"512838"	273.038124	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-3H"	-3.021828
"891737"	90.3411906666666	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-3H"	-3.021828
"9221"	273.038124	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H"	-2.014552
"445499"	410.060824	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H"	-2.014552
"825489"	136.015424	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H"	-2.014552
"85481"	547.083524	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-H"	-1.007276
"526134"	821.128924	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-H"	-1.007276
"903936"	273.038124	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H"	-1.007276
"55030"	564.110071	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H+NH4"	16.019271
"498967"	838.155471	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H+NH4"	16.019271
"871298"	290.064671	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H+NH4"	16.019271
"42481"	569.065466	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H+Na"	20.974666
"479851"	843.110866	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H+Na"	20.974666
"854375"	295.020066	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H+Na"	20.974666
"1623910"	295.020066	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na-2H"	20.974666
"100444"	291.026463	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-H+Cl"	33.962126
"540001"	428.049163	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-H+Cl"	33.962126
"935703"	154.003763	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+Cl"	33.962126
"273167"	583.060202	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Cl"	34.969402
"666683"	857.105602	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+Cl"	34.969402
"1280180"	309.014802	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl"	34.969402
"27110"	585.039406	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M-2H+K"	36.948606
"460109"	859.084806	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M-2H+K"	36.948606
"843380"	310.994006	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-2H+K"	36.948606
"1562494"	310.994006	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K-2H"	36.948606
"946006"	319.043594	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+HCOOH"	44.998194
"367499"	593.089001	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+HCOOH-H"	44.998201
"354663"	607.104651	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Hac-H"	59.013851
"1502403"	333.059251	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Hac-H"	59.013851
"963386"	341.025551	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+NaCOOH"	66.980151
"114121"	309.014802	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2Cl"	69.938804
"556598"	446.037502	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2Cl"	69.938804
"1021423"	171.992102	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2Cl"	69.938804
"1242059"	352.964285	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Br"	78.918885
"1307060"	355.020272	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl+HCOOH"	80.974872
"1320910"	377.002229	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl+NaCOOH"	102.956829
"913424"	387.030986	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M-H+CF3COOH"	112.985586
"1290499"	423.007664	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Cl+CF3COOH"	148.962264
"1371576"	239.032724	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H-2H2O"	-35.012676
"1395649"	257.0427	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H-H2O"	-17.0027
"297525"	549.098076	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H"	1.007276
"687389"	823.143476	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H"	1.007276
"1357541"	275.052676	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H"	1.007276
"132617"	275.052676	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2H"	2.014552
"571083"	412.075376	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2H"	2.014552
"1037812"	138.029976	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2H"	2.014552
"206688"	183.704209333333	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+3H"	3.021828
"647345"	275.052676	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+3H"	3.021828
"1166559"	92.3557426666667	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+3H"	3.021828
"427644"	566.124623	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+NH4"	18.033823
"794106"	840.170023	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+NH4"	18.033823
"1687158"	292.079223	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+NH4"	18.033823
"336528"	283.5659495	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H+NH4"	19.041099
"730043"	420.5886495	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H+NH4"	19.041099
"1484958"	146.5432495	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+NH4"	19.041099
"395622"	571.080018	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Na"	22.989218
"756982"	845.125418	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+Na"	22.989218
"1607264"	297.034618	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na"	22.989218
"319488"	286.043647	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H+Na"	23.996494
"713005"	423.066347	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H+Na"	23.996494
"1465732"	149.020947	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+Na"	23.996494
"1058977"	99.6830566666666	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2H+Na"	25.00377
"1263939"	307.078886	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+CH3OH+H"	33.033486
"383607"	587.053958	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+K"	38.963158
"750070"	861.099358	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+K"	38.963158
"1553216"	313.008558	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K"	38.963158
"307112"	294.030617	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+H+K"	39.970434
"700630"	431.053317	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+H+K"	39.970434
"1455544"	157.007917	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+K"	39.970434
"247064"	590.124626	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+ACN+H"	42.033826
"1220137"	316.079226	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+ACN+H"	42.033826
"1209812"	158.543251	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+ACN+2H"	43.041102
"202849"	593.06196	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2Na-H"	44.97116
"643015"	867.10736	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2Na-H"	44.97116
"1143239"	319.01656	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2Na-H"	44.97116
"181064"	297.034618	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2Na"	45.978436
"623908"	434.057318	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2Na"	45.978436
"1124133"	160.011918	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2Na"	45.978436
"1404377"	107.010370666667	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+2Na"	46.985712
"1433574"	321.058146	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+HCOOH"	47.012746
"223998"	302.06764	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+3H2O+2H"	56.04448
"1513153"	335.11019	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+IsoProp+H"	61.06479
"413934"	305.021588	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+Na+K"	61.952376
"779304"	442.044288	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+Na+K"	61.952376
"1673449"	167.998888	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na+K"	61.952376
"262160"	612.106568	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+ACN+Na"	64.015768
"1233774"	338.061168	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+ACN+Na"	64.015768
"1722294"	338.084693	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+NH4+HCOOH"	64.039293
"1186919"	114.337684666667	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+3Na"	68.967654
"1661187"	343.040088	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na+HCOOH"	68.994688
"163674"	625.00984	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2K-H"	76.91904
"602141"	899.05524	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2K-H"	76.91904
"1091026"	350.96444	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2K-H"	76.91904
"150032"	313.008558	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"2M+2K"	77.926316
"583760"	450.031258	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"3M+2K"	77.926316
"1070095"	175.985858	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2K"	77.926316
"1102940"	352.978992	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2K+H"	78.933592
"1340420"	353.066607	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+DMSO+H"	79.021207
"1007369"	357.105776	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2ACN+H"	83.060376
"1527079"	358.099408	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+IsoProp+Na+H"	84.054008
"990365"	179.056526	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+2ACN+2H"	84.067652
"1587460"	359.014028	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K+HCOOH"	84.968628
"1414213"	389.045538	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+H+CF3COOH"	115.000138
"1147070"	199.569801	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+3ACN+2H"	125.094202
"1704473"	406.072085	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+NH4+CF3COOH"	132.026685
"1637937"	411.02748	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+Na+CF3COOH"	136.98208
"1579059"	427.00142	"C21204"	"5-epi-Valiolol 7-phosphate"	"C7H15O9P"	"274.0454"	"M+K+CF3COOH"	152.95602
"811613"	256.0348	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M"	0
"979679"	237.01641	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H2O-H"	-19.01839
"69014"	169.682590666667	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-3H"	-3.021828
"505293"	255.027524	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-3H"	-3.021828
"891847"	84.3376573333333	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-3H"	-3.021828
"6047"	255.027524	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H"	-2.014552
"445608"	383.044924	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H"	-2.014552
"825597"	127.010124	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H"	-2.014552
"83406"	511.062324	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-H"	-1.007276
"524060"	767.097124	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-H"	-1.007276
"901860"	255.027524	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H"	-1.007276
"54050"	528.088871	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+NH4"	16.019271
"497984"	784.123671	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+NH4"	16.019271
"872503"	272.054071	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+NH4"	16.019271
"42593"	533.044266	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+Na"	20.974666
"476684"	789.079066	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+Na"	20.974666
"854485"	277.009466	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+Na"	20.974666
"1627302"	277.009466	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na-2H"	20.974666
"103835"	273.015863	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-H+Cl"	33.962126
"537926"	401.033263	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-H+Cl"	33.962126
"939094"	144.998463	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+Cl"	33.962126
"279838"	547.039002	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Cl"	34.969402
"673357"	803.073802	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+Cl"	34.969402
"1285759"	291.004202	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl"	34.969402
"29044"	549.018206	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+K"	36.948606
"460220"	805.053006	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+K"	36.948606
"840208"	292.983406	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+K"	36.948606
"1563696"	292.983406	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K-2H"	36.948606
"950490"	301.032994	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+HCOOH"	44.998194
"366519"	557.067801	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+HCOOH-H"	44.998201
"347123"	571.083451	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Hac-H"	59.013851
"1499233"	315.048651	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Hac-H"	59.013851
"965685"	323.014951	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+NaCOOH"	66.980151
"114231"	291.004202	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Cl"	69.938804
"555979"	419.021602	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Cl"	69.938804
"1023686"	162.986802	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2Cl"	69.938804
"1244722"	334.953685	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Br"	78.918885
"1306806"	337.009672	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+HCOOH"	80.974872
"1322116"	358.991629	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+NaCOOH"	102.956829
"914631"	369.020386	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+CF3COOH"	112.985586
"1291702"	404.997064	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+CF3COOH"	148.962264
"1371689"	221.022124	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H-2H2O"	-35.012676
"1393572"	239.0321	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H-H2O"	-17.0027
"296173"	513.076876	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H"	1.007276
"684583"	769.111676	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H"	1.007276
"1357651"	257.042076	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H"	1.007276
"129447"	257.042076	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2H"	2.014552
"567184"	385.059476	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2H"	2.014552
"1038895"	129.024676	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2H"	2.014552
"207162"	171.697142666667	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+3H"	3.021828
"647455"	257.042076	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+3H"	3.021828
"1167764"	86.3522093333333	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+3H"	3.021828
"428849"	530.103423	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+NH4"	18.033823
"790938"	786.138223	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+NH4"	18.033823
"1688360"	274.068623	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4"	18.033823
"334454"	265.5553495	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+NH4"	19.041099
"726872"	393.5727495	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+NH4"	19.041099
"1483973"	137.5379495	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+NH4"	19.041099
"395002"	535.058818	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Na"	22.989218
"756362"	791.093618	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+Na"	22.989218
"1607375"	279.024018	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na"	22.989218
"320692"	268.033047	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+Na"	23.996494
"713115"	396.050447	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+Na"	23.996494
"1465840"	140.015647	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+Na"	23.996494
"1056902"	93.6795233333333	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2H+Na"	25.00377
"1261860"	289.068286	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+CH3OH+H"	33.033486
"383715"	551.032758	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+K"	38.963158
"745806"	807.067558	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+K"	38.963158
"1550045"	294.997958	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K"	38.963158
"308317"	276.020017	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+K"	39.970434
"697457"	404.037417	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+K"	39.970434
"1456750"	148.002617	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+K"	39.970434
"249362"	554.103426	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+ACN+H"	42.033826
"1220248"	298.068626	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+H"	42.033826
"1208506"	149.537951	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+2H"	43.041102
"201379"	557.04076	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Na-H"	44.97116
"642397"	813.07556	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Na-H"	44.97116
"1142986"	301.00596	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2Na-H"	44.97116
"176071"	279.024018	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Na"	45.978436
"615270"	407.041418	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Na"	45.978436
"1117073"	151.006618	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2Na"	45.978436
"1399383"	101.006837333333	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+2Na"	46.985712
"1431617"	303.047546	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+HCOOH"	47.012746
"221675"	284.05704	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+3H2O+2H"	56.04448
"1512165"	317.09959	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+IsoProp+H"	61.06479
"410764"	287.010988	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Na+K"	61.952376
"773216"	415.028388	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+Na+K"	61.952376
"1672465"	158.993588	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+K"	61.952376
"258989"	576.085368	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+ACN+Na"	64.015768
"1234977"	320.050568	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+Na"	64.015768
"1723862"	320.074093	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4+HCOOH"	64.039293
"1188852"	108.334151333333	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+3Na"	68.967654
"1660932"	325.029488	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+HCOOH"	68.994688
"163784"	588.98864	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2K-H"	76.91904
"607720"	845.02344	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2K-H"	76.91904
"1092233"	332.95384	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2K-H"	76.91904
"146864"	294.997958	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2K"	77.926316
"593713"	423.015358	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2K"	77.926316
"1078591"	166.980558	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2K"	77.926316
"1110707"	334.968392	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2K+H"	78.933592
"1339438"	335.056007	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+DMSO+H"	79.021207
"1009062"	339.095176	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2ACN+H"	83.060376
"1527189"	340.088808	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+IsoProp+Na+H"	84.054008
"993636"	170.051226	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2ACN+2H"	84.067652
"1588140"	341.003428	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K+HCOOH"	84.968628
"1414525"	371.034938	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+CF3COOH"	115.000138
"1147487"	190.564501	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+3ACN+2H"	125.094202
"1703490"	388.061485	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4+CF3COOH"	132.026685
"1638047"	393.01688	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+CF3COOH"	136.98208
"1579169"	408.99082	"C21205"	"1-epi-Valienol 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K+CF3COOH"	152.95602
"813911"	336.0011	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M"	0
"979789"	316.98271	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-H2O-H"	-19.01839
"66936"	222.993457333333	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M-3H"	-3.021828
"505403"	334.993824	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M-3H"	-3.021828
"891592"	110.993090666667	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-3H"	-3.021828
"9437"	334.993824	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M-2H"	-2.014552
"450093"	502.994374	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M-2H"	-2.014552
"825707"	166.993274	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-2H"	-2.014552
"87889"	670.994924	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M-H"	-1.007276
"526356"	1006.996024	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M-H"	-1.007276
"906344"	334.993824	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-H"	-1.007276
"57440"	688.021471	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M-2H+NH4"	16.019271
"495907"	1024.022571	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M-2H+NH4"	16.019271
"875895"	352.020371	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-2H+NH4"	16.019271
"39423"	692.976866	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M-2H+Na"	20.974666
"477889"	1028.977966	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M-2H+Na"	20.974666
"856785"	356.975766	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-2H+Na"	20.974666
"1630693"	356.975766	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Na-2H"	20.974666
"103941"	352.982163	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M-H+Cl"	33.962126
"536944"	520.982713	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M-H+Cl"	33.962126
"931549"	184.981613	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-H+Cl"	33.962126
"269015"	706.971602	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+Cl"	34.969402
"666905"	1042.972702	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+Cl"	34.969402
"1281496"	370.970502	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Cl"	34.969402
"28426"	708.950806	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M-2H+K"	36.948606
"461424"	1044.951906	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M-2H+K"	36.948606
"839227"	372.949706	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-2H+K"	36.948606
"1570860"	372.949706	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+K-2H"	36.948606
"947320"	380.999294	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-H+HCOOH"	44.998194
"369909"	717.000401	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+HCOOH-H"	44.998201
"348327"	731.016051	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+Hac-H"	59.013851
"1499343"	395.014951	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Hac-H"	59.013851
"969075"	402.981251	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-H+NaCOOH"	66.980151
"113248"	370.970502	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+2Cl"	69.938804
"555725"	538.971052	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+2Cl"	69.938804
"1024161"	202.969952	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2Cl"	69.938804
"1244104"	414.919985	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Br"	78.918885
"1307646"	416.975972	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Cl+HCOOH"	80.974872
"1324778"	438.957929	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Cl+NaCOOH"	102.956829
"918023"	448.986686	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M-H+CF3COOH"	112.985586
"1291452"	484.963364	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Cl+CF3COOH"	148.962264
"1375079"	300.988424	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H-2H2O"	-35.012676
"1396963"	318.9984	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H-H2O"	-17.0027
"294462"	673.009476	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+H"	1.007276
"684330"	1009.010576	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+H"	1.007276
"1362501"	337.008376	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H"	1.007276
"135390"	337.008376	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+2H"	2.014552
"568024"	505.008926	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+2H"	2.014552
"1041195"	169.007826	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2H"	2.014552
"210188"	225.008009333333	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+3H"	3.021828
"645498"	337.008376	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+3H"	3.021828
"1166784"	113.007642666667	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+3H"	3.021828
"425682"	690.036023	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+NH4"	18.033823
"791051"	1026.037123	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+NH4"	18.033823
"1686286"	354.034923	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+NH4"	18.033823
"334565"	345.5216495	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+H+NH4"	19.041099
"727350"	513.5221995	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+H+NH4"	19.041099
"1482990"	177.5210995	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H+NH4"	19.041099
"397299"	694.991418	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+Na"	22.989218
"756472"	1030.992518	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+Na"	22.989218
"1609672"	358.990318	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Na"	22.989218
"319709"	347.999347	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+H+Na"	23.996494
"711035"	515.999897	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+H+Na"	23.996494
"1463766"	179.998797	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H+Na"	23.996494
"1057012"	120.334956666667	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2H+Na"	25.00377
"1259785"	369.034586	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+CH3OH+H"	33.033486
"383827"	710.965358	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+K"	38.963158
"744823"	1046.966458	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+K"	38.963158
"1546878"	374.964258	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+K"	38.963158
"308427"	355.986317	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+H+K"	39.970434
"697568"	523.986867	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+H+K"	39.970434
"1458319"	187.985767	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H+K"	39.970434
"250935"	714.036026	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+ACN+H"	42.033826
"1221453"	378.034926	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+ACN+H"	42.033826
"1205700"	189.521101	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+ACN+2H"	43.041102
"201732"	716.97336	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+2Na-H"	44.97116
"643240"	1052.97446	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+2Na-H"	44.97116
"1140178"	380.97226	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2Na-H"	44.97116
"178004"	358.990318	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+2Na"	45.978436
"614405"	526.990868	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+2Na"	45.978436
"1117793"	190.989768	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2Na"	45.978436
"1404598"	127.662270666667	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H+2Na"	46.985712
"1434526"	383.013846	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H+HCOOH"	47.012746
"222034"	364.02334	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+3H2O+2H"	56.04448
"1510457"	397.06589	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+IsoProp+H"	61.06479
"414159"	366.977288	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+Na+K"	61.952376
"776249"	534.977838	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+Na+K"	61.952376
"1671486"	198.976738	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Na+K"	61.952376
"262015"	736.017968	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+ACN+Na"	64.015768
"1236182"	400.016868	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+ACN+Na"	64.015768
"1720695"	400.040393	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+NH4+HCOOH"	64.039293
"1191154"	134.989584666667	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+3Na"	68.967654
"1661410"	404.995788	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Na+HCOOH"	68.994688
"170460"	748.92124	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+2K-H"	76.91904
"607831"	1084.92234	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+2K-H"	76.91904
"1097812"	412.92014	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2K-H"	76.91904
"149161"	374.964258	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"2M+2K"	77.926316
"594187"	542.964808	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"3M+2K"	77.926316
"1074330"	206.963708	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2K"	77.926316
"1111911"	414.934692	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2K+H"	78.933592
"1340642"	415.022307	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+DMSO+H"	79.021207
"1010266"	419.061476	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2ACN+H"	83.060376
"1530579"	420.055108	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+IsoProp+Na+H"	84.054008
"990585"	210.034376	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+2ACN+2H"	84.067652
"1589346"	420.969728	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+K+HCOOH"	84.968628
"1414259"	451.001238	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+H+CF3COOH"	115.000138
"1155139"	230.547651	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+3ACN+2H"	125.094202
"1703601"	468.027785	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+NH4+CF3COOH"	132.026685
"1648001"	472.98318	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+Na+CF3COOH"	136.98208
"1579279"	488.95712	"C21206"	"17-diphospho-1-epi-valienol"	"C7H14O11P2"	"336.0011"	"M+K+CF3COOH"	152.95602
"809646"	785.1211	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M"	0
"974713"	766.10271	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-H2O-H"	-19.01839
"65223"	522.406790666667	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M-3H"	-3.021828
"504783"	784.113824	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M-3H"	-3.021828
"893160"	260.699757333333	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-3H"	-3.021828
"9548"	784.113824	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M-2H"	-2.014552
"450204"	1176.674374	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M-2H"	-2.014552
"828004"	391.553274	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-2H"	-2.014552
"85808"	1569.234924	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M-H"	-1.007276
"523182"	2354.356024	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M-H"	-1.007276
"902079"	784.113824	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-H"	-1.007276
"56451"	1586.261471	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M-2H+NH4"	16.019271
"492733"	2371.382571	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M-2H+NH4"	16.019271
"873814"	801.140371	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-2H+NH4"	16.019271
"35156"	1591.216866	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M-2H+Na"	20.974666
"473623"	2376.337966	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M-2H+Na"	20.974666
"855802"	806.095766	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-2H+Na"	20.974666
"1622053"	806.095766	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Na-2H"	20.974666
"95307"	802.102163	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M-H+Cl"	33.962126
"535961"	1194.662713	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M-H+Cl"	33.962126
"929475"	409.541613	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-H+Cl"	33.962126
"270219"	1605.211602	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+Cl"	34.969402
"667015"	2390.332702	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+Cl"	34.969402
"1284522"	820.090502	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Cl"	34.969402
"25255"	1607.190806	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M-2H+K"	36.948606
"467002"	2392.311906	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M-2H+K"	36.948606
"844804"	822.069706	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-2H+K"	36.948606
"1557359"	822.069706	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+K-2H"	36.948606
"945606"	830.119294	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-H+HCOOH"	44.998194
"370019"	1615.240401	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+HCOOH-H"	44.998201
"349893"	1629.256051	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+Hac-H"	59.013851
"1497270"	844.134951	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Hac-H"	59.013851
"958613"	852.101251	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-H+NaCOOH"	66.980151
"111902"	820.090502	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+2Cl"	69.938804
"555110"	1212.651052	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+2Cl"	69.938804
"1025002"	427.529952	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2Cl"	69.938804
"1242756"	864.039985	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Br"	78.918885
"1305204"	866.095972	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Cl+HCOOH"	80.974872
"1324887"	888.077929	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Cl+NaCOOH"	102.956829
"913395"	898.106686	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M-H+CF3COOH"	112.985586
"1293748"	934.083364	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Cl+CF3COOH"	148.962264
"1381280"	750.108424	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H-2H2O"	-35.012676
"1397562"	768.1184	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H-H2O"	-17.0027
"296760"	1571.249476	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+H"	1.007276
"688086"	2356.370576	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+H"	1.007276
"1365164"	786.128376	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H"	1.007276
"135865"	786.128376	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+2H"	2.014552
"573238"	1178.688926	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+2H"	2.014552
"1045681"	393.567826	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2H"	2.014552
"208117"	524.421342666667	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+3H"	3.021828
"645490"	786.128376	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+3H"	3.021828
"1163976"	262.714309333333	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+3H"	3.021828
"425792"	1588.276023	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+NH4"	18.033823
"788973"	2373.397123	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+NH4"	18.033823
"1685303"	803.154923	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+NH4"	18.033823
"332853"	794.6416495	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+H+NH4"	19.041099
"728553"	1187.2021995	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+H+NH4"	19.041099
"1480922"	402.0810995	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H+NH4"	19.041099
"396680"	1593.231418	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+Na"	22.989218
"757312"	2378.352518	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+Na"	22.989218
"1606504"	808.110318	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Na"	22.989218
"320911"	797.119347	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+H+Na"	23.996494
"711144"	1189.679897	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+H+Na"	23.996494
"1464604"	404.558797	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H+Na"	23.996494
"1057484"	270.041623333333	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2H+Na"	25.00377
"1263176"	818.154586	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+CH3OH+H"	33.033486
"385030"	1609.205358	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+K"	38.963158
"744933"	2394.326458	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+K"	38.963158
"1544801"	824.084258	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+K"	38.963158
"301978"	805.106317	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+H+K"	39.970434
"704609"	1197.666867	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+H+K"	39.970434
"1460254"	412.545767	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H+K"	39.970434
"244480"	1612.276026	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+ACN+H"	42.033826
"1219378"	827.154926	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+ACN+H"	42.033826
"1202169"	414.081101	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+ACN+2H"	43.041102
"200504"	1615.21336	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+2Na-H"	44.97116
"636784"	2400.33446	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+2Na-H"	44.97116
"1135915"	830.09226	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2Na-H"	44.97116
"174468"	808.110318	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+2Na"	45.978436
"613056"	1200.670868	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+2Na"	45.978436
"1116810"	415.549768	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2Na"	45.978436
"1402523"	277.368937333333	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H+2Na"	46.985712
"1432450"	832.133846	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H+HCOOH"	47.012746
"221171"	813.14334	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+3H2O+2H"	56.04448
"1516773"	846.18589	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+IsoProp+H"	61.06479
"412086"	816.097288	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+Na+K"	61.952376
"779641"	1208.657838	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+Na+K"	61.952376
"1675971"	423.536738	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Na+K"	61.952376
"262127"	1634.257968	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+ACN+Na"	64.015768
"1231918"	849.136868	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+ACN+Na"	64.015768
"1720803"	849.160393	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+NH4+HCOOH"	64.039293
"1183969"	284.696251333333	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+3Na"	68.967654
"1651674"	854.115788	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Na+HCOOH"	68.994688
"164005"	1647.16124	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+2K-H"	76.91904
"606847"	2432.28234	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+2K-H"	76.91904
"1093547"	862.04014	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2K-H"	76.91904
"153644"	824.084258	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"2M+2K"	77.926316
"593205"	1216.644808	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"3M+2K"	77.926316
"1080998"	431.523708	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2K"	77.926316
"1112021"	864.054692	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2K+H"	78.933592
"1338565"	864.142307	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+DMSO+H"	79.021207
"1008919"	868.181476	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2ACN+H"	83.060376
"1527409"	869.175108	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+IsoProp+Na+H"	84.054008
"992761"	434.594376	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+2ACN+2H"	84.067652
"1589457"	870.089728	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+K+HCOOH"	84.968628
"1415484"	900.121238	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+H+CF3COOH"	115.000138
"1147123"	455.107651	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+3ACN+2H"	125.094202
"1703711"	917.147785	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+NH4+CF3COOH"	132.026685
"1634991"	922.10318	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+Na+CF3COOH"	136.98208
"1582670"	938.07712	"C21208"	"dTDP-acarviose-7-phosphate"	"C23H38N3O21P3"	"785.1211"	"M+K+CF3COOH"	152.95602
"809756"	256.0348	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M"	0
"975998"	237.01641	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-H2O-H"	-19.01839
"63873"	169.682590666667	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M-3H"	-3.021828
"503798"	255.027524	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M-3H"	-3.021828
"885612"	84.3376573333333	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-3H"	-3.021828
"11842"	255.027524	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H"	-2.014552
"449218"	383.044924	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H"	-2.014552
"824834"	127.010124	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-2H"	-2.014552
"85918"	511.062324	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M-H"	-1.007276
"525479"	767.097124	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M-H"	-1.007276
"898909"	255.027524	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-H"	-1.007276
"55468"	528.088871	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+NH4"	16.019271
"491751"	784.123671	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+NH4"	16.019271
"872832"	272.054071	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+NH4"	16.019271
"36360"	533.044266	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+Na"	20.974666
"475921"	789.079066	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+Na"	20.974666
"857007"	277.009466	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+Na"	20.974666
"1623256"	277.009466	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Na-2H"	20.974666
"97603"	273.015863	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M-H+Cl"	33.962126
"536435"	401.033263	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M-H+Cl"	33.962126
"930679"	144.998463	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-H+Cl"	33.962126
"273609"	547.039002	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+Cl"	34.969402
"667125"	803.073802	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+Cl"	34.969402
"1284996"	291.004202	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl"	34.969402
"25365"	549.018206	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+K"	36.948606
"467112"	805.053006	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+K"	36.948606
"844914"	292.983406	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+K"	36.948606
"1561844"	292.983406	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+K-2H"	36.948606
"950821"	301.032994	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-H+HCOOH"	44.998194
"367943"	557.067801	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+HCOOH-H"	44.998201
"352918"	571.083451	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+Hac-H"	59.013851
"1498474"	315.048651	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Hac-H"	59.013851
"959212"	323.014951	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-H+NaCOOH"	66.980151
"113104"	291.004202	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Cl"	69.938804
"556679"	419.021602	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Cl"	69.938804
"1028028"	162.986802	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2Cl"	69.938804
"1248334"	334.953685	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Br"	78.918885
"1308960"	337.009672	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+HCOOH"	80.974872
"1324997"	358.991629	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+NaCOOH"	102.956829
"914235"	369.020386	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M-H+CF3COOH"	112.985586
"1293858"	404.997064	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+CF3COOH"	148.962264
"1378595"	221.022124	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H-2H2O"	-35.012676
"1397184"	239.0321	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H-H2O"	-17.0027
"297599"	513.076876	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+H"	1.007276
"688196"	769.111676	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+H"	1.007276
"1365274"	257.042076	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H"	1.007276
"135246"	257.042076	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+2H"	2.014552
"573712"	385.059476	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+2H"	2.014552
"1045791"	129.024676	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2H"	2.014552
"211507"	171.697142666667	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+3H"	3.021828
"649974"	257.042076	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+3H"	3.021828
"1163236"	86.3522093333333	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+3H"	3.021828
"425536"	530.103423	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+NH4"	18.033823
"789084"	786.138223	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+NH4"	18.033823
"1685413"	274.068623	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4"	18.033823
"334783"	265.5553495	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+NH4"	19.041099
"729392"	393.5727495	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+NH4"	19.041099
"1478845"	137.5379495	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H+NH4"	19.041099
"394969"	535.058818	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+Na"	22.989218
"757421"	791.093618	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+Na"	22.989218
"1605521"	279.024018	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Na"	22.989218
"319928"	268.033047	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+Na"	23.996494
"713443"	396.050447	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+Na"	23.996494
"1463987"	140.015647	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H+Na"	23.996494
"1057231"	93.6795233333333	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2H+Na"	25.00377
"1266566"	289.068286	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+CH3OH+H"	33.033486
"384048"	551.032758	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+K"	38.963158
"742856"	807.067558	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+K"	38.963158
"1547098"	294.997958	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+K"	38.963158
"300994"	276.020017	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+K"	39.970434
"695604"	404.037417	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+K"	39.970434
"1455987"	148.002617	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H+K"	39.970434
"242405"	554.103426	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+ACN+H"	42.033826
"1222768"	298.068626	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+H"	42.033826
"1203372"	149.537951	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+2H"	43.041102
"198427"	557.04076	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Na-H"	44.97116
"635801"	813.07556	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Na-H"	44.97116
"1136025"	301.00596	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2Na-H"	44.97116
"176038"	279.024018	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Na"	45.978436
"613248"	407.041418	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Na"	45.978436
"1117041"	151.006618	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2Na"	45.978436
"1402633"	101.006837333333	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H+2Na"	46.985712
"1430087"	303.047546	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H+HCOOH"	47.012746
"221523"	284.05704	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+3H2O+2H"	56.04448
"1515790"	317.09959	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+IsoProp+H"	61.06479
"414382"	287.010988	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+Na+K"	61.952376
"777564"	415.028388	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+Na+K"	61.952376
"1672801"	158.993588	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+K"	61.952376
"261507"	576.085368	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+ACN+Na"	64.015768
"1234215"	320.050568	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+Na"	64.015768
"1720913"	320.074093	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4+HCOOH"	64.039293
"1184079"	108.334151333333	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+3Na"	68.967654
"1651784"	325.029488	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+HCOOH"	68.994688
"164115"	588.98864	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+2K-H"	76.91904
"606957"	845.02344	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+2K-H"	76.91904
"1088190"	332.95384	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2K-H"	76.91904
"149381"	294.997958	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"2M+2K"	77.926316
"586756"	423.015358	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"3M+2K"	77.926316
"1080015"	166.980558	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2K"	77.926316
"1113225"	334.968392	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2K+H"	78.933592
"1338675"	335.056007	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+DMSO+H"	79.021207
"1009395"	339.095176	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2ACN+H"	83.060376
"1526789"	340.088808	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+IsoProp+Na+H"	84.054008
"992142"	170.051226	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+2ACN+2H"	84.067652
"1589567"	341.003428	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+K+HCOOH"	84.968628
"1414865"	371.034938	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+H+CF3COOH"	115.000138
"1147335"	190.564501	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+3ACN+2H"	125.094202
"1702726"	388.061485	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4+CF3COOH"	132.026685
"1635101"	393.01688	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+CF3COOH"	136.98208
"1582780"	408.99082	"C21209"	"1-epi-Valienol 1-phosphate"	"C7H13O8P"	"256.0348"	"M+K+CF3COOH"	152.95602
"804396"	401.1087	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M"	0
"975741"	382.09031	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-H2O-H"	-19.01839
"64348"	266.398524	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M-3H"	-3.021828
"503908"	400.101424	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M-3H"	-3.021828
"885724"	132.695624	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-3H"	-3.021828
"7580"	400.101424	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M-2H"	-2.014552
"447140"	600.655774	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M-2H"	-2.014552
"824942"	199.547074	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-2H"	-2.014552
"83110"	801.210124	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M-H"	-1.007276
"525587"	1202.318824	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M-H"	-1.007276
"904483"	400.101424	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-H"	-1.007276
"55578"	818.236671	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M-2H+NH4"	16.019271
"498419"	1219.345371	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M-2H+NH4"	16.019271
"872939"	417.127971	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-2H+NH4"	16.019271
"37561"	823.192066	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M-2H+Na"	20.974666
"476031"	1224.300766	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M-2H+Na"	20.974666
"850554"	422.083366	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-2H+Na"	20.974666
"1631025"	422.083366	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Na-2H"	20.974666
"98807"	418.089763	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M-H+Cl"	33.962126
"544927"	618.644113	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M-H+Cl"	33.962126
"938442"	217.535413	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-H+Cl"	33.962126
"281983"	837.186802	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+Cl"	34.969402
"672703"	1238.295502	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+Cl"	34.969402
"1275386"	436.078102	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Cl"	34.969402
"21101"	839.166006	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M-2H+K"	36.948606
"459567"	1240.274706	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M-2H+K"	36.948606
"835552"	438.057306	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-2H+K"	36.948606
"1558309"	438.057306	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+K-2H"	36.948606
"945829"	446.106894	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-H+HCOOH"	44.998194
"366229"	847.215601	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+HCOOH-H"	44.998201
"349389"	861.231251	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+Hac-H"	59.013851
"1496768"	460.122551	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Hac-H"	59.013851
"965039"	468.088851	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-H+NaCOOH"	66.980151
"115044"	436.078102	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+2Cl"	69.938804
"554602"	636.632452	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+2Cl"	69.938804
"1026316"	235.523752	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2Cl"	69.938804
"1245165"	480.027585	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Br"	78.918885
"1309070"	482.083572	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Cl+HCOOH"	80.974872
"1320246"	504.065529	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Cl+NaCOOH"	102.956829
"912888"	514.094286	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M-H+CF3COOH"	112.985586
"1303583"	550.070964	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Cl+CF3COOH"	148.962264
"1377612"	366.096024	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H-2H2O"	-35.012676
"1396201"	384.106	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H-H2O"	-17.0027
"294791"	803.224676	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+H"	1.007276
"682838"	1204.333376	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+H"	1.007276
"1361374"	402.115976	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H"	1.007276
"133169"	402.115976	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+2H"	2.014552
"573823"	602.670326	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+2H"	2.014552
"1042623"	201.561626	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2H"	2.014552
"211617"	268.413076	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+3H"	3.021828
"645710"	402.115976	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+3H"	3.021828
"1166022"	134.710176	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+3H"	3.021828
"430387"	820.251223	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+NH4"	18.033823
"790286"	1221.359923	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+NH4"	18.033823
"1686617"	419.142523	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+NH4"	18.033823
"332707"	410.6292495	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+H+NH4"	19.041099
"729510"	611.1835995	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+H+NH4"	19.041099
"1478223"	210.0748995	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H+NH4"	19.041099
"395808"	825.206618	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+Na"	22.989218
"756439"	1226.315318	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+Na"	22.989218
"1605995"	424.097918	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Na"	22.989218
"318946"	413.106947	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+H+Na"	23.996494
"712461"	613.661297	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+H+Na"	23.996494
"1465188"	212.552597	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H+Na"	23.996494
"1056248"	142.03749	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2H+Na"	25.00377
"1266676"	434.142186	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+CH3OH+H"	33.033486
"385249"	841.180558	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+K"	38.963158
"748433"	1242.289258	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+K"	38.963158
"1544292"	440.071858	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+K"	38.963158
"302560"	421.093917	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+H+K"	39.970434
"702277"	621.648267	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+H+K"	39.970434
"1450633"	220.539567	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H+K"	39.970434
"245795"	844.251226	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+ACN+H"	42.033826
"1219599"	443.142526	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+ACN+H"	42.033826
"1203479"	222.074901	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+ACN+2H"	43.041102
"194163"	847.18856	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+2Na-H"	44.97116
"632629"	1248.29726	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+2Na-H"	44.97116
"1136141"	446.07986	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2Na-H"	44.97116
"176151"	424.097918	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+2Na"	45.978436
"617900"	624.652268	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+2Na"	45.978436
"1119220"	223.543568	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2Na"	45.978436
"1399581"	149.364804	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H+2Na"	46.985712
"1431818"	448.121446	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H+HCOOH"	47.012746
"223458"	429.13094	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+3H2O+2H"	56.04448
"1510793"	462.17349	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+IsoProp+H"	61.06479
"414488"	432.084888	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+Na+K"	61.952376
"774391"	632.639238	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+Na+K"	61.952376
"1669629"	231.530538	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Na+K"	61.952376
"259430"	866.233168	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+ACN+Na"	64.015768
"1235418"	465.124468	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+ACN+Na"	64.015768
"1718839"	465.147993	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+NH4+HCOOH"	64.039293
"1184189"	156.692118	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+3Na"	68.967654
"1658458"	470.103388	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Na+HCOOH"	68.994688
"161313"	879.13644	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+2K-H"	76.91904
"600143"	1280.24514	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+2K-H"	76.91904
"1095955"	478.02774	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2K-H"	76.91904
"152772"	440.071858	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"2M+2K"	77.926316
"586865"	640.626208	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"3M+2K"	77.926316
"1081219"	239.517508	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2K"	77.926316
"1103495"	480.042292	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2K+H"	78.933592
"1339514"	480.129907	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+DMSO+H"	79.021207
"1009503"	484.169076	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2ACN+H"	83.060376
"1526898"	485.162708	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+IsoProp+Na+H"	84.054008
"991897"	242.588176	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+2ACN+2H"	84.067652
"1591869"	486.077328	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+K+HCOOH"	84.968628
"1414975"	516.108838	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+H+CF3COOH"	115.000138
"1152190"	263.101451	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+3ACN+2H"	125.094202
"1703934"	533.135385	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+NH4+CF3COOH"	132.026685
"1635210"	538.09078	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+Na+CF3COOH"	136.98208
"1579611"	554.06472	"C21211"	"Salbostatin 6-phosphate"	"C13H24NO11P"	"401.1087"	"M+K+CF3COOH"	152.95602
"809978"	166.0395	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M"	0
"984605"	147.02111	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-H2O-H"	-19.01839
"78390"	109.685724	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M-3H"	-3.021828
"513501"	165.032224	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M-3H"	-3.021828
"892397"	54.339224	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-3H"	-3.021828
"5504"	165.032224	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H"	-2.014552
"442876"	248.051974	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H"	-2.014552
"821771"	82.012474	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H"	-2.014552
"81034"	331.071724	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M-H"	-1.007276
"525698"	497.111224	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M-H"	-1.007276
"907874"	165.032224	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-H"	-1.007276
"56781"	348.098271	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H+NH4"	16.019271
"494153"	514.137771	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H+NH4"	16.019271
"876331"	182.058771	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H+NH4"	16.019271
"37671"	353.053666	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H+Na"	20.974666
"480523"	519.093166	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H+Na"	20.974666
"859419"	187.014166	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H+Na"	20.974666
"1625671"	187.014166	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na-2H"	20.974666
"100012"	183.020563	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M-H+Cl"	33.962126
"540665"	266.040313	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M-H+Cl"	33.962126
"929805"	100.000813	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+Cl"	33.962126
"273829"	367.048402	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Cl"	34.969402
"663335"	533.087902	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+Cl"	34.969402
"1283027"	201.008902	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl"	34.969402
"23405"	369.027606	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M-2H+K"	36.948606
"465152"	535.067106	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M-2H+K"	36.948606
"841863"	202.988106	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-2H+K"	36.948606
"1566441"	202.988106	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+K-2H"	36.948606
"948131"	211.037694	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+HCOOH"	44.998194
"372552"	377.077201	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+HCOOH-H"	44.998201
"354247"	391.092851	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Hac-H"	59.013851
"1503811"	225.053351	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Hac-H"	59.013851
"971354"	233.019651	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+NaCOOH"	66.980151
"116249"	201.008902	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2Cl"	69.938804
"552890"	284.028652	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2Cl"	69.938804
"1023878"	117.989152	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2Cl"	69.938804
"1251842"	244.958385	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Br"	78.918885
"1309916"	247.014372	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl+HCOOH"	80.974872
"1335406"	268.996329	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl+NaCOOH"	102.956829
"925773"	279.025086	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M-H+CF3COOH"	112.985586
"1302477"	315.001764	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Cl+CF3COOH"	148.962264
"1379910"	131.026824	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H-2H2O"	-35.012676
"1395218"	149.0368	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H-H2O"	-17.0027
"295998"	333.086276	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H"	1.007276
"685137"	499.125776	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H"	1.007276
"1361485"	167.046776	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H"	1.007276
"134376"	167.046776	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2H"	2.014552
"566036"	250.066526	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2H"	2.014552
"1043829"	84.027026	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2H"	2.014552
"208448"	111.700276	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+3H"	3.021828
"645821"	167.046776	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+3H"	3.021828
"1170509"	56.353776	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+3H"	3.021828
"428313"	350.112823	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+NH4"	18.033823
"787121"	516.152323	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+NH4"	18.033823
"1688925"	184.073323	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+NH4"	18.033823
"337202"	175.5600495	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H+NH4"	19.041099
"727436"	258.5797995	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H+NH4"	19.041099
"1484534"	92.5402995	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+NH4"	19.041099
"399934"	355.068218	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Na"	22.989218
"755214"	521.107718	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+Na"	22.989218
"1603308"	189.028718	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na"	22.989218
"317962"	178.037747	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H+Na"	23.996494
"708685"	261.057497	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H+Na"	23.996494
"1464207"	95.017997	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+Na"	23.996494
"1054899"	63.68109	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2H+Na"	25.00377
"1259129"	199.072986	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+CH3OH+H"	33.033486
"383171"	371.042158	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+K"	38.963158
"741982"	537.081658	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+K"	38.963158
"1544035"	205.002658	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+K"	38.963158
"311066"	186.024717	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+H+K"	39.970434
"695832"	269.044467	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+H+K"	39.970434
"1450015"	103.004967	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+K"	39.970434
"239708"	374.112826	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+ACN+H"	42.033826
"1215334"	208.073326	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+ACN+H"	42.033826
"1197036"	104.540301	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+ACN+2H"	43.041102
"196474"	377.05016	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2Na-H"	44.97116
"631659"	543.08966	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2Na-H"	44.97116
"1134071"	211.01066	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2Na-H"	44.97116
"182823"	189.028718	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2Na"	45.978436
"615822"	272.048468	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2Na"	45.978436
"1121514"	106.008968	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2Na"	45.978436
"1403951"	71.008404	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+2Na"	46.985712
"1438249"	213.052246	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+HCOOH"	47.012746
"225759"	194.06174	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+3H2O+2H"	56.04448
"1510540"	227.10429	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+IsoProp+H"	61.06479
"413505"	197.015688	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+Na+K"	61.952376
"775595"	280.035438	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+Na+K"	61.952376
"1674112"	113.995938	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na+K"	61.952376
"260631"	396.094768	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+ACN+Na"	64.015768
"1232248"	230.055268	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+ACN+Na"	64.015768
"1721136"	230.078793	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+NH4+HCOOH"	64.039293
"1184305"	78.335718	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+3Na"	68.967654
"1653106"	235.034188	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na+HCOOH"	68.994688
"162153"	408.99804	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2K-H"	76.91904
"601712"	575.03754	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2K-H"	76.91904
"1086953"	242.95854	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2K-H"	76.91904
"148512"	205.002658	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"2M+2K"	77.926316
"584064"	288.022408	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"3M+2K"	77.926316
"1073680"	121.982908	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2K"	77.926316
"1102151"	244.973092	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2K+H"	78.933592
"1339994"	245.060707	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+DMSO+H"	79.021207
"1011809"	249.099876	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2ACN+H"	83.060376
"1531028"	250.093508	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+IsoProp+Na+H"	84.054008
"991643"	125.053576	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+2ACN+2H"	84.067652
"1595260"	251.008128	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+K+HCOOH"	84.968628
"1415090"	281.039638	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+H+CF3COOH"	115.000138
"1151214"	145.566851	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+3ACN+2H"	125.094202
"1697236"	298.066185	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+NH4+CF3COOH"	132.026685
"1641885"	303.02158	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+Na+CF3COOH"	136.98208
"1579723"	318.99552	"C21214"	"Dimethylallyl phosphate"	"C5H11O4P"	"166.0395"	"M+K+CF3COOH"	152.95602
"811181"	526.1829	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M"	0
"984715"	507.16451	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-H2O-H"	-19.01839
"77819"	349.781324	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M-3H"	-3.021828
"514703"	525.175624	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M-3H"	-3.021828
"892142"	174.387024	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-3H"	-3.021828
"2334"	525.175624	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M-2H"	-2.014552
"440103"	788.267074	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M-2H"	-2.014552
"817259"	262.084174	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-2H"	-2.014552
"78626"	1051.358524	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M-H"	-1.007276
"523621"	1577.541424	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M-H"	-1.007276
"905797"	525.175624	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-H"	-1.007276
"54705"	1068.385071	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M-2H+NH4"	16.019271
"490983"	1594.567971	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M-2H+NH4"	16.019271
"868787"	542.202171	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-2H+NH4"	16.019271
"34501"	1073.340466	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M-2H+Na"	20.974666
"483913"	1599.523366	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M-2H+Na"	20.974666
"855156"	547.157566	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-2H+Na"	20.974666
"1625781"	547.157566	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Na-2H"	20.974666
"99029"	543.163963	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M-H+Cl"	33.962126
"538588"	806.255413	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M-H+Cl"	33.962126
"929915"	280.072513	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-H+Cl"	33.962126
"269565"	1087.335202	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+Cl"	34.969402
"662716"	1613.518102	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+Cl"	34.969402
"1274754"	561.152302	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Cl"	34.969402
"28621"	1089.314406	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M-2H+K"	36.948606
"465262"	1615.497306	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M-2H+K"	36.948606
"844888"	563.131506	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-2H+K"	36.948606
"1566551"	563.131506	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+K-2H"	36.948606
"951888"	571.181094	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-H+HCOOH"	44.998194
"367188"	1097.364001	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+HCOOH-H"	44.998201
"354357"	1111.379651	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+Hac-H"	59.013851
"1503921"	585.196751	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Hac-H"	59.013851
"968545"	593.163051	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-H+NaCOOH"	66.980151
"112712"	561.152302	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+2Cl"	69.938804
"553728"	824.243752	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+2Cl"	69.938804
"1024716"	298.060852	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2Cl"	69.938804
"1251952"	605.101785	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Br"	78.918885
"1310026"	607.157772	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Cl+HCOOH"	80.974872
"1335071"	629.139729	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Cl+NaCOOH"	102.956829
"926935"	639.168486	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M-H+CF3COOH"	112.985586
"1302590"	675.145164	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Cl+CF3COOH"	148.962264
"1378927"	491.170224	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H-2H2O"	-35.012676
"1394235"	509.1802	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H-H2O"	-17.0027
"295015"	1053.373076	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+H"	1.007276
"685247"	1579.555976	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+H"	1.007276
"1363418"	527.190176	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H"	1.007276
"133393"	527.190176	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+2H"	2.014552
"567118"	790.281626	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+2H"	2.014552
"1039931"	264.098726	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2H"	2.014552
"208558"	351.795876	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+3H"	3.021828
"649211"	527.190176	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+3H"	3.021828
"1168433"	176.401576	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+3H"	3.021828
"427330"	1070.399623	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+NH4"	18.033823
"787231"	1596.582523	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+NH4"	18.033823
"1690128"	544.216723	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+NH4"	18.033823
"332209"	535.7034495	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+H+NH4"	19.041099
"726817"	798.7948995	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+H+NH4"	19.041099
"1482457"	272.6119995	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H+NH4"	19.041099
"400043"	1075.355018	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+Na"	22.989218
"754960"	1601.537918	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+Na"	22.989218
"1604028"	549.172118	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Na"	22.989218
"316979"	538.181147	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+H+Na"	23.996494
"707945"	801.272597	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+H+Na"	23.996494
"1462735"	275.089697	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H+Na"	23.996494
"1058652"	183.72889	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2H+Na"	25.00377
"1259237"	559.216386	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+CH3OH+H"	33.033486
"381095"	1091.328958	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+K"	38.963158
"741001"	1617.511858	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+K"	38.963158
"1543051"	565.146058	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+K"	38.963158
"310083"	546.168117	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+H+K"	39.970434
"697035"	809.259567	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+H+K"	39.970434
"1453040"	283.076667	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H+K"	39.970434
"240547"	1094.399626	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+ACN+H"	42.033826
"1213258"	568.216726	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+ACN+H"	42.033826
"1198239"	284.612001	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+ACN+2H"	43.041102
"196584"	1097.33696	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+2Na-H"	44.97116
"630310"	1623.51986	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+2Na-H"	44.97116
"1138554"	571.15406	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2Na-H"	44.97116
"182933"	549.172118	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+2Na"	45.978436
"619213"	812.263568	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+2Na"	45.978436
"1120531"	286.080668	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2Na"	45.978436
"1406247"	191.056204	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H+2Na"	46.985712
"1440545"	573.195646	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H+HCOOH"	47.012746
"225866"	554.20514	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+3H2O+2H"	56.04448
"1512836"	587.24769	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+IsoProp+H"	61.06479
"412521"	557.159088	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+Na+K"	61.952376
"776798"	820.250538	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+Na+K"	61.952376
"1673128"	294.067638	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Na+K"	61.952376
"260376"	1116.381568	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+ACN+Na"	64.015768
"1234178"	590.198668	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+ACN+Na"	64.015768
"1718330"	590.222193	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+NH4+HCOOH"	64.039293
"1181863"	198.383518	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+3Na"	68.967654
"1652850"	595.177588	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Na+HCOOH"	68.994688
"160558"	1129.28484	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+2K-H"	76.91904
"601090"	1655.46774	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+2K-H"	76.91904
"1088519"	603.10194	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2K-H"	76.91904
"145342"	565.146058	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"2M+2K"	77.926316
"583081"	828.237508	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"3M+2K"	77.926316
"1071604"	302.054608	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2K"	77.926316
"1102626"	605.116492	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2K+H"	78.933592
"1339011"	605.204107	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+DMSO+H"	79.021207
"1010825"	609.243276	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2ACN+H"	83.060376
"1531138"	610.236908	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+IsoProp+Na+H"	84.054008
"993211"	305.125276	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+2ACN+2H"	84.067652
"1596463"	611.151528	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+K+HCOOH"	84.968628
"1414835"	641.183038	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+H+CF3COOH"	115.000138
"1151325"	325.638551	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+3ACN+2H"	125.094202
"1699783"	658.209585	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+NH4+CF3COOH"	132.026685
"1641995"	663.16498	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+Na+CF3COOH"	136.98208
"1579833"	679.13892	"C21215"	"Prenylated FMNH2;Reduced prFMN"	"C22H31N4O9P"	"526.1829"	"M+K+CF3COOH"	152.95602
"810198"	257.0664	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M"	0
"984825"	238.04801	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-H2O-H"	-19.01839
"77566"	170.370324	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M-3H"	-3.021828
"511533"	256.059124	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M-3H"	-3.021828
"888243"	84.681524	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-3H"	-3.021828
"3537"	256.059124	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M-2H"	-2.014552
"440093"	384.592324	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M-2H"	-2.014552
"818221"	127.525924	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-2H"	-2.014552
"79431"	513.125524	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M-H"	-1.007276
"522637"	770.191924	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M-H"	-1.007276
"905908"	256.059124	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-H"	-1.007276
"51534"	530.152071	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M-2H+NH4"	16.019271
"492187"	787.218471	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M-2H+NH4"	16.019271
"869990"	273.085671	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-2H+NH4"	16.019271
"33883"	535.107466	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M-2H+Na"	20.974666
"482566"	792.173866	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M-2H+Na"	20.974666
"855266"	278.041066	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-2H+Na"	20.974666
"1625891"	278.041066	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Na-2H"	20.974666
"96952"	274.047463	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M-H+Cl"	33.962126
"537605"	402.580663	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M-H+Cl"	33.962126
"931119"	145.514263	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-H+Cl"	33.962126
"269675"	549.102202	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+Cl"	34.969402
"664283"	806.168602	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+Cl"	34.969402
"1275593"	292.035802	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Cl"	34.969402
"23625"	551.081406	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M-2H+K"	36.948606
"462454"	808.147806	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M-2H+K"	36.948606
"840258"	294.015006	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-2H+K"	36.948606
"1561193"	294.015006	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+K-2H"	36.948606
"946527"	302.064594	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-H+HCOOH"	44.998194
"364018"	559.131001	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+HCOOH-H"	44.998201
"348263"	573.146651	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+Hac-H"	59.013851
"1503301"	316.080251	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Hac-H"	59.013851
"969748"	324.046551	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-H+NaCOOH"	66.980151
"116467"	292.035802	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+2Cl"	69.938804
"552017"	420.569002	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+2Cl"	69.938804
"1024827"	163.502602	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2Cl"	69.938804
"1252062"	335.985285	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Br"	78.918885
"1311229"	338.041272	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Cl+HCOOH"	80.974872
"1335456"	360.023229	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Cl+NaCOOH"	102.956829
"926725"	370.051986	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M-H+CF3COOH"	112.985586
"1304160"	406.028664	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Cl+CF3COOH"	148.962264
"1382197"	222.053724	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H-2H2O"	-35.012676
"1396531"	240.0637	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H-H2O"	-17.0027
"297676"	515.140076	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+H"	1.007276
"686450"	772.206476	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+H"	1.007276
"1360610"	258.073676	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H"	1.007276
"133503"	258.073676	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+2H"	2.014552
"570874"	386.606876	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+2H"	2.014552
"1040770"	129.540476	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2H"	2.014552
"208668"	172.384876	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+3H"	3.021828
"649321"	258.073676	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+3H"	3.021828
"1168543"	86.696076	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+3H"	3.021828
"428533"	532.166623	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+NH4"	18.033823
"787341"	789.233023	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+NH4"	18.033823
"1690237"	275.100223	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+NH4"	18.033823
"336327"	266.5869495	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+H+NH4"	19.041099
"730934"	395.1201495	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+H+NH4"	19.041099
"1482567"	138.0537495	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H+NH4"	19.041099
"399059"	537.122018	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+Na"	22.989218
"754950"	794.188418	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+Na"	22.989218
"1603775"	280.055618	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Na"	22.989218
"316116"	269.064647	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+H+Na"	23.996494
"708419"	397.597847	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+H+Na"	23.996494
"1464061"	140.531447	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H+Na"	23.996494
"1057669"	94.02339	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2H+Na"	25.00377
"1259713"	290.099886	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+CH3OH+H"	33.033486
"382298"	553.095958	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+K"	38.963158
"741110"	810.162358	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+K"	38.963158
"1543162"	296.029558	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+K"	38.963158
"303626"	277.051617	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+H+K"	39.970434
"694953"	405.584817	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+H+K"	39.970434
"1449867"	148.518417	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H+K"	39.970434
"245031"	556.166626	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+ACN+H"	42.033826
"1213366"	299.100226	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+ACN+H"	42.033826
"1200535"	150.053751	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+ACN+2H"	43.041102
"198880"	559.10396	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+2Na-H"	44.97116
"637344"	816.17036	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+2Na-H"	44.97116
"1141942"	302.03756	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2Na-H"	44.97116
"183772"	280.055618	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+2Na"	45.978436
"620416"	408.588818	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+2Na"	45.978436
"1120641"	151.522418	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2Na"	45.978436
"1412916"	101.350704	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H+2Na"	46.985712
"1438468"	304.079146	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H+HCOOH"	47.012746
"225976"	285.08864	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+3H2O+2H"	56.04448
"1512946"	318.13119	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+IsoProp+H"	61.06479
"411538"	288.042588	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+Na+K"	61.952376
"774721"	416.575788	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+Na+K"	61.952376
"1673237"	159.509388	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Na+K"	61.952376
"258664"	578.148568	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+ACN+Na"	64.015768
"1234652"	321.082168	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+ACN+Na"	64.015768
"1719896"	321.105693	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+NH4+HCOOH"	64.039293
"1185616"	108.678018	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+3Na"	68.967654
"1654416"	326.061088	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Na+HCOOH"	68.994688
"165648"	591.05184	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+2K-H"	76.91904
"603387"	848.11824	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+2K-H"	76.91904
"1087172"	333.98544	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2K-H"	76.91904
"145452"	296.029558	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"2M+2K"	77.926316
"582945"	424.562758	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"3M+2K"	77.926316
"1071712"	167.496358	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2K"	77.926316
"1103829"	335.999992	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2K+H"	78.933592
"1339121"	336.087607	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+DMSO+H"	79.021207
"1010935"	340.126776	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2ACN+H"	83.060376
"1527968"	341.120408	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+IsoProp+Na+H"	84.054008
"992228"	170.567026	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+2ACN+2H"	84.067652
"1590013"	342.035028	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+K+HCOOH"	84.968628
"1415677"	372.066538	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+H+CF3COOH"	115.000138
"1151435"	191.080301	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+3ACN+2H"	125.094202
"1699893"	389.093085	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+NH4+CF3COOH"	132.026685
"1642105"	394.04848	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+Na+CF3COOH"	136.98208
"1579943"	410.02242	"C21216"	"Validamine 7-phosphate"	"C7H16NO7P"	"257.0664"	"M+K+CF3COOH"	152.95602
"816712"	904.4989	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M"	0
"984935"	885.48051	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-H2O-H"	-19.01839
"76462"	601.991990666667	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M-3H"	-3.021828
"516021"	903.491624	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M-3H"	-3.021828
"892363"	300.492357333333	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-3H"	-3.021828
"4742"	903.491624	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M-2H"	-2.014552
"441020"	1355.741074	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M-2H"	-2.014552
"822103"	451.242174	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-2H"	-2.014552
"84281"	1807.990524	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M-H"	-1.007276
"527123"	2712.489424	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M-H"	-1.007276
"907111"	903.491624	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-H"	-1.007276
"48607"	1825.017071	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M-2H+NH4"	16.019271
"489022"	2729.515971	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M-2H+NH4"	16.019271
"866824"	920.518171	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-2H+NH4"	16.019271
"32538"	1829.972466	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M-2H+Na"	20.974666
"475385"	2734.471366	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M-2H+Na"	20.974666
"855375"	925.473566	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-2H+Na"	20.974666
"1622721"	925.473566	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Na-2H"	20.974666
"95968"	921.479963	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M-H+Cl"	33.962126
"537715"	1373.729413	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M-H+Cl"	33.962126
"931230"	469.230513	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-H+Cl"	33.962126
"267760"	1843.967202	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+Cl"	34.969402
"659980"	2748.466102	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+Cl"	34.969402
"1272976"	939.468302	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Cl"	34.969402
"24099"	1845.946406	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M-2H+K"	36.948606
"460742"	2750.445306	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M-2H+K"	36.948606
"838909"	941.447506	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-2H+K"	36.948606
"1561303"	941.447506	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+K-2H"	36.948606
"948096"	949.497094	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-H+HCOOH"	44.998194
"363397"	1853.996001	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+HCOOH-H"	44.998201
"351290"	1868.011651	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+Hac-H"	59.013851
"1503411"	963.512751	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Hac-H"	59.013851
"966578"	971.479051	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-H+NaCOOH"	66.980151
"117670"	939.468302	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+2Cl"	69.938804
"553218"	1391.717752	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+2Cl"	69.938804
"1026031"	487.218852	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2Cl"	69.938804
"1247799"	983.417785	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Br"	78.918885
"1312432"	985.473772	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Cl+HCOOH"	80.974872
"1335045"	1007.455729	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Cl+NaCOOH"	102.956829
"925008"	1017.484486	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M-H+CF3COOH"	112.985586
"1302443"	1053.461164	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Cl+CF3COOH"	148.962264
"1379145"	869.486224	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H-2H2O"	-35.012676
"1393361"	887.4962	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H-H2O"	-17.0027
"290859"	1810.005076	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+H"	1.007276
"681092"	2714.503976	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+H"	1.007276
"1353065"	905.506176	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H"	1.007276
"131426"	905.506176	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+2H"	2.014552
"570984"	1357.755626	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+2H"	2.014552
"1040877"	453.256726	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2H"	2.014552
"205125"	604.006542666667	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+3H"	3.021828
"644686"	905.506176	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+3H"	3.021828
"1166464"	302.506909333333	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+3H"	3.021828
"424624"	1827.031623	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+NH4"	18.033823
"786595"	2731.530523	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+NH4"	18.033823
"1688157"	922.532723	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+NH4"	18.033823
"337529"	914.0194495	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+H+NH4"	19.041099
"725576"	1366.2688995	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+H+NH4"	19.041099
"1482677"	461.7699995	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H+NH4"	19.041099
"394795"	1831.987018	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+Na"	22.989218
"755423"	2736.485918	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+Na"	22.989218
"1603518"	927.488118	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Na"	22.989218
"315375"	916.497147	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+H+Na"	23.996494
"707798"	1368.746597	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+H+Na"	23.996494
"1463077"	464.247697	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H+Na"	23.996494
"1054864"	309.834223333333	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2H+Na"	25.00377
"1259459"	937.532386	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+CH3OH+H"	33.033486
"380589"	1847.960958	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+K"	38.963158
"740491"	2752.459858	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+K"	38.963158
"1546553"	943.462058	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+K"	38.963158
"302643"	924.484117	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+H+K"	39.970434
"695063"	1376.733567	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+H+K"	39.970434
"1448883"	472.234667	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H+K"	39.970434
"244048"	1851.031626	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+ACN+H"	42.033826
"1216756"	946.532726	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+ACN+H"	42.033826
"1201734"	473.770001	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+ACN+2H"	43.041102
"196803"	1853.96896	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+2Na-H"	44.97116
"635268"	2758.46786	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+2Na-H"	44.97116
"1142417"	949.47006	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2Na-H"	44.97116
"178779"	927.488118	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+2Na"	45.978436
"620526"	1379.737568	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+2Na"	45.978436
"1120751"	475.238668	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2Na"	45.978436
"1407557"	317.161537333333	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H+2Na"	46.985712
"1437485"	951.511646	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H+HCOOH"	47.012746
"223899"	932.52114	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+3H2O+2H"	56.04448
"1513053"	965.56369	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+IsoProp+H"	61.06479
"409459"	935.475088	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+Na+K"	61.952376
"772642"	1387.724538	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+Na+K"	61.952376
"1672254"	483.225638	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Na+K"	61.952376
"261690"	1873.013568	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+ACN+Na"	64.015768
"1234763"	968.514668	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+ACN+Na"	64.015768
"1721463"	968.538193	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+NH4+HCOOH"	64.039293
"1183175"	324.488851333333	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+3Na"	68.967654
"1653432"	973.493588	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Na+HCOOH"	68.994688
"161750"	1885.91684	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+2K-H"	76.91904
"604229"	2790.41574	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+2K-H"	76.91904
"1088012"	981.41794	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2K-H"	76.91904
"143735"	943.462058	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"2M+2K"	77.926316
"585123"	1395.711508	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"3M+2K"	77.926316
"1071093"	491.212608	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2K"	77.926316
"1102842"	983.432492	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2K+H"	78.933592
"1340321"	983.520107	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+DMSO+H"	79.021207
"1008856"	987.559276	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2ACN+H"	83.060376
"1529172"	988.552908	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+IsoProp+Na+H"	84.054008
"993431"	494.283276	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+2ACN+2H"	84.067652
"1591218"	989.467528	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+K+HCOOH"	84.968628
"1416879"	1019.499038	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+H+CF3COOH"	115.000138
"1147412"	514.796551	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+3ACN+2H"	125.094202
"1700003"	1036.525585	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+NH4+CF3COOH"	132.026685
"1643308"	1041.48098	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+Na+CF3COOH"	136.98208
"1580053"	1057.45492	"C21217"	"Geranylgeranyl bacteriochlorophyllide a"	"C55H68MgN4O6"	"904.4989"	"M+K+CF3COOH"	152.95602
"816865"	256.0348	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M"	0
"985045"	237.01641	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H2O-H"	-19.01839
"76569"	169.682590666667	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-3H"	-3.021828
"511753"	255.027524	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-3H"	-3.021828
"893566"	84.3376573333333	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-3H"	-3.021828
"8133"	255.027524	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H"	-2.014552
"445505"	383.044924	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H"	-2.014552
"820026"	127.010124	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H"	-2.014552
"80379"	511.062324	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-H"	-1.007276
"521399"	767.097124	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-H"	-1.007276
"899199"	255.027524	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H"	-1.007276
"49564"	528.088871	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+NH4"	16.019271
"490224"	784.123671	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+NH4"	16.019271
"865841"	272.054071	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+NH4"	16.019271
"32648"	533.044266	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+Na"	20.974666
"477683"	789.079066	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+Na"	20.974666
"855485"	277.009466	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+Na"	20.974666
"1620644"	277.009466	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na-2H"	20.974666
"99361"	273.015863	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-H+Cl"	33.962126
"536732"	401.033263	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-H+Cl"	33.962126
"929153"	144.998463	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+Cl"	33.962126
"267950"	547.039002	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Cl"	34.969402
"660611"	803.073802	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+Cl"	34.969402
"1273255"	291.004202	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl"	34.969402
"26034"	549.018206	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M-2H+K"	36.948606
"462674"	805.053006	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M-2H+K"	36.948606
"843395"	292.983406	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-2H+K"	36.948606
"1560319"	292.983406	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K-2H"	36.948606
"948209"	301.032994	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+HCOOH"	44.998194
"364965"	557.067801	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+HCOOH-H"	44.998201
"351035"	571.083451	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Hac-H"	59.013851
"1503522"	315.048651	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Hac-H"	59.013851
"965593"	323.014951	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+NaCOOH"	66.980151
"111948"	291.004202	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Cl"	69.938804
"554057"	419.021602	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Cl"	69.938804
"1024681"	162.986802	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2Cl"	69.938804
"1251187"	334.953685	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Br"	78.918885
"1310355"	337.009672	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+HCOOH"	80.974872
"1334061"	358.991629	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+NaCOOH"	102.956829
"925117"	369.020386	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M-H+CF3COOH"	112.985586
"1301824"	404.997064	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Cl+CF3COOH"	148.962264
"1379255"	221.022124	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H-2H2O"	-35.012676
"1393471"	239.0321	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H-H2O"	-17.0027
"292063"	513.076876	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H"	1.007276
"681202"	769.111676	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H"	1.007276
"1354268"	257.042076	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H"	1.007276
"127154"	257.042076	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2H"	2.014552
"573280"	385.059476	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2H"	2.014552
"1039893"	129.024676	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2H"	2.014552
"205602"	171.697142666667	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+3H"	3.021828
"645530"	257.042076	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+3H"	3.021828
"1167667"	86.3522093333333	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+3H"	3.021828
"424734"	530.103423	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+NH4"	18.033823
"786094"	786.138223	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+NH4"	18.033823
"1687173"	274.068623	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4"	18.033823
"335452"	265.5553495	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+NH4"	19.041099
"725320"	393.5727495	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+NH4"	19.041099
"1482787"	137.5379495	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+NH4"	19.041099
"394050"	535.058818	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Na"	22.989218
"755534"	791.093618	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+Na"	22.989218
"1603629"	279.024018	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na"	22.989218
"315242"	268.033047	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+Na"	23.996494
"707544"	396.050447	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+Na"	23.996494
"1463916"	140.015647	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+Na"	23.996494
"1053313"	93.6795233333333	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2H+Na"	25.00377
"1260664"	289.068286	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+CH3OH+H"	33.033486
"381428"	551.032758	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+K"	38.963158
"741694"	807.067558	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+K"	38.963158
"1545570"	294.997958	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K"	38.963158
"304934"	276.020017	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+H+K"	39.970434
"697358"	404.037417	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+H+K"	39.970434
"1447899"	148.002617	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+K"	39.970434
"243065"	554.103426	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+ACN+H"	42.033826
"1214680"	298.068626	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+H"	42.033826
"1201845"	149.537951	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+2H"	43.041102
"198006"	557.04076	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Na-H"	44.97116
"636472"	813.07556	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Na-H"	44.97116
"1142165"	301.00596	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2Na-H"	44.97116
"185454"	279.024018	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2Na"	45.978436
"624646"	407.041418	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2Na"	45.978436
"1127058"	151.006618	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2Na"	45.978436
"1410219"	101.006837333333	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+2Na"	46.985712
"1440877"	303.047546	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+HCOOH"	47.012746
"227291"	284.05704	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+3H2O+2H"	56.04448
"1513166"	317.09959	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+IsoProp+H"	61.06479
"413945"	287.010988	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+Na+K"	61.952376
"773847"	415.028388	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+Na+K"	61.952376
"1671271"	158.993588	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+K"	61.952376
"259979"	576.085368	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+ACN+Na"	64.015768
"1233780"	320.050568	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+ACN+Na"	64.015768
"1719387"	320.074093	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4+HCOOH"	64.039293
"1181099"	108.334151333333	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+3Na"	68.967654
"1653546"	325.029488	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+HCOOH"	68.994688
"168059"	588.98864	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2K-H"	76.91904
"604338"	845.02344	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2K-H"	76.91904
"1088485"	332.95384	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2K-H"	76.91904
"143238"	294.997958	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"2M+2K"	77.926316
"585233"	423.015358	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"3M+2K"	77.926316
"1073026"	166.980558	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2K"	77.926316
"1105138"	334.968392	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2K+H"	78.933592
"1342618"	335.056007	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+DMSO+H"	79.021207
"1010059"	339.095176	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2ACN+H"	83.060376
"1530375"	340.088808	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+IsoProp+Na+H"	84.054008
"996822"	170.051226	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+2ACN+2H"	84.067652
"1593515"	341.003428	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K+HCOOH"	84.968628
"1420269"	371.034938	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+H+CF3COOH"	115.000138
"1153840"	190.564501	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+3ACN+2H"	125.094202
"1702300"	388.061485	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+NH4+CF3COOH"	132.026685
"1643418"	393.01688	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+Na+CF3COOH"	136.98208
"1580163"	408.99082	"C21218"	"Validone 7-phosphate"	"C7H13O8P"	"256.0348"	"M+K+CF3COOH"	152.95602
"807247"	415.1243	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M"	0
"985155"	396.10591	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-H2O-H"	-19.01839
"77772"	275.742257333333	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M-3H"	-3.021828
"510770"	414.117024	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M-3H"	-3.021828
"891854"	137.367490666667	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-3H"	-3.021828
"3869"	414.117024	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M-2H"	-2.014552
"445615"	621.679174	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M-2H"	-2.014552
"822323"	206.554874	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-2H"	-2.014552
"80124"	829.241324	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M-H"	-1.007276
"519807"	1244.365624	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M-H"	-1.007276
"899673"	414.117024	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-H"	-1.007276
"47732"	846.267871	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M-2H+NH4"	16.019271
"492522"	1261.392171	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M-2H+NH4"	16.019271
"869231"	431.143571	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-2H+NH4"	16.019271
"37136"	851.223266	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M-2H+Na"	20.974666
"475606"	1266.347566	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M-2H+Na"	20.974666
"855595"	436.098966	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-2H+Na"	20.974666
"1620754"	436.098966	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Na-2H"	20.974666
"98377"	432.105363	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M-H+Cl"	33.962126
"536113"	639.667513	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M-H+Cl"	33.962126
"928533"	224.543213	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-H+Cl"	33.962126
"267446"	865.218002	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+Cl"	34.969402
"660722"	1280.342302	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+Cl"	34.969402
"1273160"	450.093702	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Cl"	34.969402
"18849"	867.197206	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M-2H+K"	36.948606
"456949"	1282.321506	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M-2H+K"	36.948606
"833778"	452.072906	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-2H+K"	36.948606
"1558242"	452.072906	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+K-2H"	36.948606
"949411"	460.122494	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-H+HCOOH"	44.998194
"366530"	875.246801	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+HCOOH-H"	44.998201
"347131"	889.262451	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+Hac-H"	59.013851
"1498154"	474.138151	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Hac-H"	59.013851
"961330"	482.104451	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-H+NaCOOH"	66.980151
"112058"	450.093702	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+2Cl"	69.938804
"554169"	657.655852	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+2Cl"	69.938804
"1022604"	242.531552	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2Cl"	69.938804
"1245465"	494.043185	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Br"	78.918885
"1308642"	496.099172	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Cl+HCOOH"	80.974872
"1332349"	518.081129	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Cl+NaCOOH"	102.956829
"924502"	528.109886	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M-H+CF3COOH"	112.985586
"1300840"	564.086564	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Cl+CF3COOH"	148.962264
"1378271"	380.111624	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H-2H2O"	-35.012676
"1390299"	398.1216	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H-H2O"	-17.0027
"291080"	831.255876	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+H"	1.007276
"684592"	1246.380176	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+H"	1.007276
"1355471"	416.131576	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H"	1.007276
"126293"	416.131576	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+2H"	2.014552
"572296"	623.693726	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+2H"	2.014552
"1041096"	208.569426	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2H"	2.014552
"204985"	277.756809333333	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+3H"	3.021828
"646004"	416.131576	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+3H"	3.021828
"1167777"	139.382042666667	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+3H"	3.021828
"424601"	848.282423	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+NH4"	18.033823
"785730"	1263.406723	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+NH4"	18.033823
"1686190"	433.158123	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+NH4"	18.033823
"330821"	424.6448495	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+H+NH4"	19.041099
"725066"	632.2069995	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+H+NH4"	19.041099
"1478277"	217.0826995	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H+NH4"	19.041099
"394649"	853.237818	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+Na"	22.989218
"755642"	1268.362118	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+Na"	22.989218
"1603251"	438.113518	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Na"	22.989218
"315963"	427.122547	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+H+Na"	23.996494
"709481"	634.684697	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+H+Na"	23.996494
"1462082"	219.560397	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H+Na"	23.996494
"1053628"	146.709356666667	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2H+Na"	25.00377
"1258590"	448.157786	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+CH3OH+H"	33.033486
"381538"	869.211758	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+K"	38.963158
"743628"	1284.336058	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+K"	38.963158
"1544587"	454.087458	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+K"	38.963158
"301036"	435.109517	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+H+K"	39.970434
"693459"	642.671667	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+H+K"	39.970434
"1448374"	227.547367	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H+K"	39.970434
"242083"	872.282426	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+ACN+H"	42.033826
"1213698"	457.158126	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+ACN+H"	42.033826
"1198674"	229.082701	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+ACN+2H"	43.041102
"197023"	875.21976	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+2Na-H"	44.97116
"638770"	1290.34406	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+2Na-H"	44.97116
"1144829"	460.09546	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2Na-H"	44.97116
"186293"	438.113518	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+2Na"	45.978436
"625851"	645.675668	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+2Na"	45.978436
"1128261"	230.551368	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2Na"	45.978436
"1404865"	154.036670666667	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H+2Na"	46.985712
"1439897"	462.137046	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H+HCOOH"	47.012746
"230684"	443.14654	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+3H2O+2H"	56.04448
"1513276"	476.18909	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+IsoProp+H"	61.06479
"411868"	446.100488	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+Na+K"	61.952376
"776144"	653.662638	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+Na+K"	61.952376
"1670289"	238.538338	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Na+K"	61.952376
"260090"	894.264368	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+ACN+Na"	64.015768
"1233891"	479.140068	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+ACN+Na"	64.015768
"1720591"	479.163593	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+NH4+HCOOH"	64.039293
"1183761"	161.363984666667	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+3Na"	68.967654
"1656936"	484.118988	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Na+HCOOH"	68.994688
"169263"	907.16764	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+2K-H"	76.91904
"609915"	1322.29194	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+2K-H"	76.91904
"1087867"	492.04334	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2K-H"	76.91904
"144686"	454.087458	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"2M+2K"	77.926316
"585343"	661.649608	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"3M+2K"	77.926316
"1070461"	246.525308	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2K"	77.926316
"1104154"	494.057892	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2K+H"	78.933592
"1340541"	494.145507	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+DMSO+H"	79.021207
"1007011"	498.184676	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2ACN+H"	83.060376
"1529391"	499.178308	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+IsoProp+Na+H"	84.054008
"992559"	249.595976	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+2ACN+2H"	84.067652
"1592532"	500.092928	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+K+HCOOH"	84.968628
"1419289"	530.124438	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+H+CF3COOH"	115.000138
"1155046"	270.109251	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+3ACN+2H"	125.094202
"1700223"	547.150985	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+NH4+CF3COOH"	132.026685
"1643528"	552.10638	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+Na+CF3COOH"	136.98208
"1580273"	568.08032	"C21219"	"Validoxylamine A 7-phosphate"	"C14H26NO11P"	"415.1243"	"M+K+CF3COOH"	152.95602
"803373"	191.0794	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M"	0
"980916"	172.06101	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-H2O-H"	-19.01839
"64906"	126.378990666667	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M-3H"	-3.021828
"511997"	190.072124	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M-3H"	-3.021828
"882146"	62.6858573333333	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-3H"	-3.021828
"11668"	190.072124	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M-2H"	-2.014552
"442847"	285.611824	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M-2H"	-2.014552
"823566"	94.532424	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-2H"	-2.014552
"83557"	381.151524	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M-H"	-1.007276
"527490"	572.230924	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M-H"	-1.007276
"905292"	190.072124	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-H"	-1.007276
"52018"	398.178071	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M-2H+NH4"	16.019271
"489391"	589.257471	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M-2H+NH4"	16.019271
"866100"	207.098671	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-2H+NH4"	16.019271
"36188"	403.133466	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M-2H+Na"	20.974666
"480122"	594.212866	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M-2H+Na"	20.974666
"855739"	212.054066	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-2H+Na"	20.974666
"1629645"	212.054066	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Na-2H"	20.974666
"101800"	208.060463	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M-H+Cl"	33.962126
"544640"	303.600163	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M-H+Cl"	33.962126
"938154"	112.520763	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-H+Cl"	33.962126
"275617"	417.128202	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+Cl"	34.969402
"666944"	608.207602	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+Cl"	34.969402
"1278253"	226.048802	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Cl"	34.969402
"24089"	419.107406	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M-2H+K"	36.948606
"463649"	610.186806	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M-2H+K"	36.948606
"840360"	228.028006	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-2H+K"	36.948606
"1559473"	228.028006	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+K-2H"	36.948606
"945170"	236.077594	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-H+HCOOH"	44.998194
"364846"	427.157001	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+HCOOH-H"	44.998201
"348001"	441.172651	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+Hac-H"	59.013851
"1492980"	250.093251	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Hac-H"	59.013851
"959631"	258.059551	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-H+NaCOOH"	66.980151
"112186"	226.048802	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+2Cl"	69.938804
"552840"	321.588502	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+2Cl"	69.938804
"1026380"	130.509102	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2Cl"	69.938804
"1249240"	269.998285	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Br"	78.918885
"1314968"	272.054272	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Cl+HCOOH"	80.974872
"1323354"	294.036229	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Cl+NaCOOH"	102.956829
"917329"	304.064986	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M-H+CF3COOH"	112.985586
"1290149"	340.041664	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Cl+CF3COOH"	148.962264
"1372930"	156.066724	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H-2H2O"	-35.012676
"1388238"	174.0767	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H-H2O"	-17.0027
"287924"	383.166076	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+H"	1.007276
"685812"	574.245476	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+H"	1.007276
"1361066"	192.086676	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H"	1.007276
"127027"	192.086676	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+2H"	2.014552
"567077"	287.626376	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+2H"	2.014552
"1042319"	96.546976	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2H"	2.014552
"206574"	128.393542666667	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+3H"	3.021828
"651968"	192.086676	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+3H"	3.021828
"1163656"	64.7004093333333	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+3H"	3.021828
"427171"	400.192623	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+NH4"	18.033823
"787802"	591.272023	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+NH4"	18.033823
"1683405"	209.113223	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+NH4"	18.033823
"332776"	200.5999495	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+H+NH4"	19.041099
"723613"	296.1396495	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+H+NH4"	19.041099
"1477596"	105.0602495	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H+NH4"	19.041099
"393808"	405.148018	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+Na"	22.989218
"756870"	596.227418	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+Na"	22.989218
"1605334"	214.068618	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Na"	22.989218
"317559"	203.077647	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+H+Na"	23.996494
"708889"	298.617347	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+H+Na"	23.996494
"1463804"	107.537947	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H+Na"	23.996494
"1059235"	72.0277233333333	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2H+Na"	25.00377
"1261275"	224.112886	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+CH3OH+H"	33.033486
"384955"	421.121958	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+K"	38.963158
"753570"	612.201358	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+K"	38.963158
"1550191"	230.042558	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+K"	38.963158
"311378"	211.064617	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+H+K"	39.970434
"705988"	306.604317	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+H+K"	39.970434
"1459809"	115.524917	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H+K"	39.970434
"247678"	424.192626	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+ACN+H"	42.033826
"1222940"	233.113226	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+ACN+H"	42.033826
"1204271"	117.060251	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+ACN+2H"	43.041102
"198238"	427.12996	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+2Na-H"	44.97116
"636703"	618.20936	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+2Na-H"	44.97116
"1138753"	236.05056	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2Na-H"	44.97116
"179128"	214.068618	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+2Na"	45.978436
"618325"	309.608318	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+2Na"	45.978436
"1125480"	118.528918	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2Na"	45.978436
"1409010"	79.3550373333333	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H+2Na"	46.985712
"1437846"	238.092146	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H+HCOOH"	47.012746
"229364"	219.10164	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+3H2O+2H"	56.04448
"1518519"	252.14419	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+IsoProp+H"	61.06479
"415289"	222.055588	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+Na+K"	61.952376
"778837"	317.595288	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+Na+K"	61.952376
"1674441"	126.515888	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Na+K"	61.952376
"260960"	446.174568	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+ACN+Na"	64.015768
"1233665"	255.095168	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+ACN+Na"	64.015768
"1722921"	255.118693	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+NH4+HCOOH"	64.039293
"1183906"	86.6823513333333	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+3Na"	68.967654
"1659266"	260.074088	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Na+HCOOH"	68.994688
"166127"	459.07784	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+2K-H"	76.91904
"606775"	650.15724	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+2K-H"	76.91904
"1093475"	267.99844	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2K-H"	76.91904
"147011"	230.042558	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"2M+2K"	77.926316
"593134"	325.582258	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"3M+2K"	77.926316
"1069136"	134.502858	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2K"	77.926316
"1100402"	270.012992	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2K+H"	78.933592
"1338495"	270.100607	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+DMSO+H"	79.021207
"1008116"	274.139776	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2ACN+H"	83.060376
"1529527"	275.133408	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+IsoProp+Na+H"	84.054008
"992695"	137.573526	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+2ACN+2H"	84.067652
"1590479"	276.048028	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+K+HCOOH"	84.968628
"1419421"	306.079538	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+H+CF3COOH"	115.000138
"1148248"	158.086801	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+3ACN+2H"	125.094202
"1712583"	323.106085	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+NH4+CF3COOH"	132.026685
"1645853"	328.06148	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+Na+CF3COOH"	136.98208
"1583690"	344.03542	"C21247"	"2-Amino-5-epi-valiolone"	"C7H13NO5"	"191.0794"	"M+K+CF3COOH"	152.95602
"804213"	173.0688	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M"	0
"984306"	154.05041	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-H2O-H"	-19.01839
"67082"	114.371924	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M-3H"	-3.021828
"507732"	172.061524	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M-3H"	-3.021828
"883350"	56.682324	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-3H"	-3.021828
"14693"	172.061524	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M-2H"	-2.014552
"442957"	258.595924	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M-2H"	-2.014552
"823676"	85.527124	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-2H"	-2.014552
"83667"	345.130324	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M-H"	-1.007276
"527600"	518.199124	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M-H"	-1.007276
"905402"	172.061524	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-H"	-1.007276
"53221"	362.156871	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M-2H+NH4"	16.019271
"489501"	535.225671	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M-2H+NH4"	16.019271
"867303"	189.088071	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-2H+NH4"	16.019271
"36298"	367.112266	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M-2H+Na"	20.974666
"480232"	540.181066	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M-2H+Na"	20.974666
"855849"	194.043466	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-2H+Na"	20.974666
"1629755"	194.043466	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Na-2H"	20.974666
"101910"	190.049863	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M-H+Cl"	33.962126
"545843"	276.584263	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M-H+Cl"	33.962126
"940450"	103.515463	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-H+Cl"	33.962126
"275727"	381.107002	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+Cl"	34.969402
"667055"	554.175802	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+Cl"	34.969402
"1278363"	208.038202	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Cl"	34.969402
"26385"	383.086206	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M-2H+K"	36.948606
"464852"	556.155006	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M-2H+K"	36.948606
"840467"	210.017406	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-2H+K"	36.948606
"1563954"	210.017406	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+K-2H"	36.948606
"949651"	218.066994	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-H+HCOOH"	44.998194
"364226"	391.135801	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+HCOOH-H"	44.998201
"349204"	405.151451	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+Hac-H"	59.013851
"1493537"	232.082651	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Hac-H"	59.013851
"959742"	240.048951	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-H+NaCOOH"	66.980151
"112296"	208.038202	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+2Cl"	69.938804
"552586"	294.572602	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+2Cl"	69.938804
"1024301"	121.503802	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2Cl"	69.938804
"1249350"	251.987685	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Br"	78.918885
"1315078"	254.043672	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Cl+HCOOH"	80.974872
"1322005"	276.025629	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Cl+NaCOOH"	102.956829
"915980"	286.054386	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M-H+CF3COOH"	112.985586
"1290136"	322.031064	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Cl+CF3COOH"	148.962264
"1369030"	138.056124	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H-2H2O"	-35.012676
"1385066"	156.0661	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H-H2O"	-17.0027
"286940"	347.144876	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+H"	1.007276
"681547"	520.213676	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+H"	1.007276
"1356803"	174.076076	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H"	1.007276
"126042"	174.076076	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+2H"	2.014552
"565970"	260.610476	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+2H"	2.014552
"1038052"	87.541676	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2H"	2.014552
"205588"	116.386476	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+3H"	3.021828
"647704"	174.076076	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+3H"	3.021828
"1166923"	58.696876	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+3H"	3.021828
"426549"	364.171423	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+NH4"	18.033823
"788275"	537.240223	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+NH4"	18.033823
"1683514"	191.102623	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+NH4"	18.033823
"332520"	182.5893495	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+H+NH4"	19.041099
"723359"	269.1237495	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+H+NH4"	19.041099
"1477194"	96.0549495	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H+NH4"	19.041099
"393038"	369.126818	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+Na"	22.989218
"754465"	542.195618	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+Na"	22.989218
"1603133"	196.058018	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Na"	22.989218
"315476"	185.067047	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+H+Na"	23.996494
"710093"	271.601447	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+H+Na"	23.996494
"1463914"	98.532647	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H+Na"	23.996494
"1054242"	66.02419	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2H+Na"	25.00377
"1258834"	206.102286	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+CH3OH+H"	33.033486
"382878"	385.100758	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+K"	38.963158
"752621"	558.169558	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+K"	38.963158
"1549208"	212.031958	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+K"	38.963158
"310759"	193.054017	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+H+K"	39.970434
"702086"	279.588417	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+H+K"	39.970434
"1457003"	106.519617	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H+K"	39.970434
"247788"	388.171426	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+ACN+H"	42.033826
"1221589"	215.102626	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+ACN+H"	42.033826
"1203288"	108.054951	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+ACN+2H"	43.041102
"195067"	391.10876	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+2Na-H"	44.97116
"634625"	564.17756	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+2Na-H"	44.97116
"1133396"	218.03996	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2Na-H"	44.97116
"175591"	196.058018	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+2Na"	45.978436
"615884"	282.592418	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+2Na"	45.978436
"1124496"	109.523618	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2Na"	45.978436
"1404746"	73.351504	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H+2Na"	46.985712
"1441965"	220.081546	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H+HCOOH"	47.012746
"229838"	201.09104	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+3H2O+2H"	56.04448
"1517899"	234.13359	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+IsoProp+H"	61.06479
"415399"	204.044988	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+Na+K"	61.952376
"778583"	290.579388	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+Na+K"	61.952376
"1674914"	117.510588	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Na+K"	61.952376
"261433"	410.153368	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+ACN+Na"	64.015768
"1235232"	237.084568	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+ACN+Na"	64.015768
"1721938"	237.108093	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+NH4+HCOOH"	64.039293
"1189116"	80.678818	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+3Na"	68.967654
"1658281"	242.063488	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Na+HCOOH"	68.994688
"162956"	423.05664	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+2K-H"	76.91904
"601418"	596.12544	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+2K-H"	76.91904
"1089212"	249.98784	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2K-H"	76.91904
"143840"	212.031958	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"2M+2K"	77.926316
"588870"	298.566358	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"3M+2K"	77.926316
"1069735"	125.497558	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2K"	77.926316
"1100878"	252.002392	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2K+H"	78.933592
"1337877"	252.090007	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+DMSO+H"	79.021207
"1007133"	256.129176	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2ACN+H"	83.060376
"1530730"	257.122808	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+IsoProp+Na+H"	84.054008
"993898"	128.568226	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+2ACN+2H"	84.067652
"1592776"	258.037428	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+K+HCOOH"	84.968628
"1417344"	288.068938	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+H+CF3COOH"	115.000138
"1148723"	149.081501	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+3ACN+2H"	125.094202
"1712378"	305.095485	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+NH4+CF3COOH"	132.026685
"1645963"	310.05088	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+Na+CF3COOH"	136.98208
"1580520"	326.02482	"C21248"	"2-Aminovalienone"	"C7H11NO4"	"173.0688"	"M+K+CF3COOH"	152.95602
"807606"	171.0532	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M"	0
"977857"	152.03481	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-H2O-H"	-19.01839
"65005"	113.028190666667	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M-3H"	-3.021828
"505655"	170.045924	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M-3H"	-3.021828
"881273"	56.0104573333333	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-3H"	-3.021828
"11884"	170.045924	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M-2H"	-2.014552
"450358"	255.572524	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M-2H"	-2.014552
"827066"	84.519324	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-2H"	-2.014552
"83777"	341.099124	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M-H"	-1.007276
"527710"	512.152324	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M-H"	-1.007276
"904419"	170.045924	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-H"	-1.007276
"54427"	358.125671	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M-2H+NH4"	16.019271
"487415"	529.178871	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M-2H+NH4"	16.019271
"869597"	187.072471	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-2H+NH4"	16.019271
"33245"	363.081066	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M-2H+Na"	20.974666
"475969"	534.134266	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M-2H+Na"	20.974666
"855957"	192.027866	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-2H+Na"	20.974666
"1629866"	192.027866	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Na-2H"	20.974666
"100926"	188.034263	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M-H+Cl"	33.962126
"544860"	273.560863	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M-H+Cl"	33.962126
"931815"	102.507663	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-H+Cl"	33.962126
"275837"	377.075802	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+Cl"	34.969402
"668257"	548.129002	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+Cl"	34.969402
"1280660"	206.022602	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Cl"	34.969402
"23215"	379.055006	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M-2H+K"	36.948606
"462775"	550.108206	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M-2H+K"	36.948606
"839487"	208.001806	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-2H+K"	36.948606
"1561878"	208.001806	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+K-2H"	36.948606
"948669"	216.051394	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-H+HCOOH"	44.998194
"369075"	387.104601	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+HCOOH-H"	44.998201
"352230"	401.120251	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+Hac-H"	59.013851
"1494865"	230.067051	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Hac-H"	59.013851
"960946"	238.033351	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-H+NaCOOH"	66.980151
"115686"	206.022602	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+2Cl"	69.938804
"557071"	291.549202	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+2Cl"	69.938804
"1028787"	120.496002	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2Cl"	69.938804
"1246909"	249.972085	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Br"	78.918885
"1314097"	252.028072	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Cl+HCOOH"	80.974872
"1326125"	274.010029	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Cl+NaCOOH"	102.956829
"919370"	284.038786	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M-H+CF3COOH"	112.985586
"1294984"	320.015464	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Cl+CF3COOH"	148.962264
"1374237"	136.040524	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H-2H2O"	-35.012676
"1386269"	154.0505	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H-H2O"	-17.0027
"285223"	343.113676	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+H"	1.007276
"678012"	514.166876	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+H"	1.007276
"1358007"	172.060476	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H"	1.007276
"126884"	172.060476	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+2H"	2.014552
"566204"	257.587076	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+2H"	2.014552
"1041080"	86.533876	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2H"	2.014552
"207525"	115.042742666667	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+3H"	3.021828
"647814"	172.060476	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+3H"	3.021828
"1164116"	58.0250093333333	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+3H"	3.021828
"426297"	360.140223	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+NH4"	18.033823
"789119"	531.193423	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+NH4"	18.033823
"1682164"	189.087023	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+NH4"	18.033823
"330563"	180.5737495	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+H+NH4"	19.041099
"722854"	266.1003495	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+H+NH4"	19.041099
"1477197"	95.0471495	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H+NH4"	19.041099
"392919"	365.095618	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+Na"	22.989218
"754621"	536.148818	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+Na"	22.989218
"1603120"	194.042418	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Na"	22.989218
"314657"	183.051447	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+H+Na"	23.996494
"707110"	268.578047	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+H+Na"	23.996494
"1466207"	97.524847	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H+Na"	23.996494
"1058360"	65.3523233333333	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2H+Na"	25.00377
"1265506"	204.086686	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+CH3OH+H"	33.033486
"381894"	381.069558	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+K"	38.963158
"750543"	552.122758	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+K"	38.963158
"1551503"	210.016358	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+K"	38.963158
"312327"	191.038417	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+H+K"	39.970434
"701103"	276.565017	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+H+K"	39.970434
"1459298"	105.511817	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H+K"	39.970434
"248627"	384.140226	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+ACN+H"	42.033826
"1220973"	213.087026	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+ACN+H"	42.033826
"1206677"	107.047151	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+ACN+2H"	43.041102
"194080"	387.07756	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+2Na-H"	44.97116
"630728"	558.13076	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+2Na-H"	44.97116
"1134961"	216.02436	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2Na-H"	44.97116
"176795"	194.042418	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+2Na"	45.978436
"616355"	279.569018	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+2Na"	45.978436
"1121325"	108.515818	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2Na"	45.978436
"1404855"	72.6796373333333	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H+2Na"	46.985712
"1438795"	218.065946	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H+HCOOH"	47.012746
"225574"	199.07544	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+3H2O+2H"	56.04448
"1516916"	232.11799	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+IsoProp+H"	61.06479
"420249"	202.029388	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+Na+K"	61.952376
"779788"	287.555988	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+Na+K"	61.952376
"1675024"	116.502788	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Na+K"	61.952376
"260451"	406.122168	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+ACN+Na"	64.015768
"1234250"	235.068968	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+ACN+Na"	64.015768
"1722045"	235.092493	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+NH4+HCOOH"	64.039293
"1188495"	80.0069513333333	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+3Na"	68.967654
"1657298"	240.047888	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Na+HCOOH"	68.994688
"166345"	419.02544	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+2K-H"	76.91904
"598249"	590.07864	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+2K-H"	76.91904
"1087135"	247.97224	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2K-H"	76.91904
"145044"	210.016358	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"2M+2K"	77.926316
"585697"	295.542958	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"3M+2K"	77.926316
"1069847"	124.489758	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2K"	77.926316
"1102330"	249.986792	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2K+H"	78.933592
"1338351"	250.074407	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+DMSO+H"	79.021207
"1009438"	254.113576	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2ACN+H"	83.060376
"1528653"	255.107208	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+IsoProp+Na+H"	84.054008
"994011"	127.560426	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+2ACN+2H"	84.067652
"1590699"	256.021828	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+K+HCOOH"	84.968628
"1417454"	286.053338	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+H+CF3COOH"	115.000138
"1148836"	148.073701	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+3ACN+2H"	125.094202
"1711515"	303.079885	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+NH4+CF3COOH"	132.026685
"1642791"	308.03528	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+Na+CF3COOH"	136.98208
"1580630"	324.00922	"C21249"	"Cetoniacytone B"	"C7H9NO4"	"171.0532"	"M+K+CF3COOH"	152.95602
"804433"	188.0321	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M"	0
"981247"	169.01371	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-H2O-H"	-19.01839
"67302"	124.347457333333	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M-3H"	-3.021828
"506130"	187.024824	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M-3H"	-3.021828
"880654"	61.6700906666667	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-3H"	-3.021828
"8714"	187.024824	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M-2H"	-2.014552
"450467"	281.040874	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M-2H"	-2.014552
"821708"	93.008774	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-2H"	-2.014552
"86073"	375.056924	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M-H"	-1.007276
"522352"	563.089024	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M-H"	-1.007276
"904529"	187.024824	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-H"	-1.007276
"57817"	392.083471	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M-2H+NH4"	16.019271
"487136"	580.115571	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M-2H+NH4"	16.019271
"869707"	204.051371	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-2H+NH4"	16.019271
"31536"	397.038866	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M-2H+Na"	20.974666
"477171"	585.070966	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M-2H+Na"	20.974666
"854973"	209.006766	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-2H+Na"	20.974666
"1626695"	209.006766	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Na-2H"	20.974666
"99942"	205.013163	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M-H+Cl"	33.962126
"541690"	299.029213	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M-H+Cl"	33.962126
"931925"	110.997113	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-H+Cl"	33.962126
"275947"	411.033602	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+Cl"	34.969402
"667274"	599.065702	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+Cl"	34.969402
"1279677"	223.001502	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Cl"	34.969402
"22232"	413.012806	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M-2H+K"	36.948606
"460699"	601.044906	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M-2H+K"	36.948606
"838503"	224.980706	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-2H+K"	36.948606
"1560896"	224.980706	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+K-2H"	36.948606
"946591"	233.030294	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-H+HCOOH"	44.998194
"369185"	421.062401	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+HCOOH-H"	44.998201
"351976"	435.078051	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+Hac-H"	59.013851
"1494246"	247.045951	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Hac-H"	59.013851
"961055"	255.012251	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-H+NaCOOH"	66.980151
"114703"	223.001502	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+2Cl"	69.938804
"557910"	317.017552	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+2Cl"	69.938804
"1029990"	128.985452	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2Cl"	69.938804
"1246291"	266.950985	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Br"	78.918885
"1313114"	269.006972	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Cl+HCOOH"	80.974872
"1328422"	290.988929	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Cl+NaCOOH"	102.956829
"919481"	301.017686	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M-H+CF3COOH"	112.985586
"1297281"	336.994364	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Cl+CF3COOH"	148.962264
"1378723"	153.019424	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H-2H2O"	-35.012676
"1389661"	171.0294	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H-H2O"	-17.0027
"284607"	377.071476	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+H"	1.007276
"680675"	565.103576	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+H"	1.007276
"1359210"	189.039376	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H"	1.007276
"127728"	189.039376	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+2H"	2.014552
"568383"	283.055426	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+2H"	2.014552
"1040462"	95.023326	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2H"	2.014552
"208365"	126.362009333333	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+3H"	3.021828
"647924"	189.039376	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+3H"	3.021828
"1164955"	63.6846426666667	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+3H"	3.021828
"425678"	394.098023	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+NH4"	18.033823
"786143"	582.130123	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+NH4"	18.033823
"1682268"	206.065923	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+NH4"	18.033823
"330183"	197.5526495	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+H+NH4"	19.041099
"722927"	291.5686995	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+H+NH4"	19.041099
"1477269"	103.5365995	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H+NH4"	19.041099
"392948"	399.053418	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+Na"	22.989218
"754554"	587.085518	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+Na"	22.989218
"1602897"	211.021318	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Na"	22.989218
"314471"	200.030347	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+H+Na"	23.996494
"707299"	294.046397	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+H+Na"	23.996494
"1462306"	106.014297	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H+Na"	23.996494
"1052816"	71.0119566666667	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2H+Na"	25.00377
"1257959"	221.065586	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+CH3OH+H"	33.033486
"377340"	415.027358	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+K"	38.963158
"748466"	603.059458	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+K"	38.963158
"1543960"	226.995258	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+K"	38.963158
"306605"	208.017317	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+H+K"	39.970434
"696840"	302.033367	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+H+K"	39.970434
"1455033"	114.001267	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H+K"	39.970434
"245458"	418.098026	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+ACN+H"	42.033826
"1219623"	230.065926	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+ACN+H"	42.033826
"1205694"	115.536601	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+ACN+2H"	43.041102
"202088"	421.03536	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+2Na-H"	44.97116
"629014"	609.06746	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+2Na-H"	44.97116
"1131828"	233.00326	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2Na-H"	44.97116
"174593"	211.021318	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+2Na"	45.978436
"614640"	305.037368	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+2Na"	45.978436
"1116690"	117.005268	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2Na"	45.978436
"1408609"	78.3392706666667	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H+2Na"	46.985712
"1438175"	235.044846	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H+HCOOH"	47.012746
"224590"	216.05434	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+3H2O+2H"	56.04448
"1518848"	249.09689	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+IsoProp+H"	61.06479
"419630"	219.008288	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+Na+K"	61.952376
"779898"	313.024338	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+Na+K"	61.952376
"1674041"	124.992238	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Na+K"	61.952376
"260561"	440.079968	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+ACN+Na"	64.015768
"1233267"	252.047868	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+ACN+Na"	64.015768
"1722155"	252.071393	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+NH4+HCOOH"	64.039293
"1188605"	85.6665846666667	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+3Na"	68.967654
"1660687"	257.026788	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Na+HCOOH"	68.994688
"166456"	452.98324	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+2K-H"	76.91904
"598724"	641.01534	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+2K-H"	76.91904
"1086881"	264.95114	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2K-H"	76.91904
"147342"	226.995258	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"2M+2K"	77.926316
"586901"	321.011308	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"3M+2K"	77.926316
"1069229"	132.979208	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2K"	77.926316
"1102440"	266.965692	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2K+H"	78.933592
"1338097"	267.053307	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+DMSO+H"	79.021207
"1010640"	271.092476	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2ACN+H"	83.060376
"1528764"	272.086108	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+IsoProp+Na+H"	84.054008
"992298"	136.049876	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+2ACN+2H"	84.067652
"1591902"	273.000728	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+K+HCOOH"	84.968628
"1416470"	303.032238	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+H+CF3COOH"	115.000138
"1148581"	156.563151	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+3ACN+2H"	125.094202
"1711625"	320.058785	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+NH4+CF3COOH"	132.026685
"1642901"	325.01418	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+Na+CF3COOH"	136.98208
"1580740"	340.98812	"C21250"	"2-Methyl-trans-aconitate"	"C7H8O6"	"188.0321"	"M+K+CF3COOH"	152.95602
"803449"	483.2064	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M"	0
"979170"	464.18801	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-H2O-H"	-19.01839
"65225"	321.130324	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M-3H"	-3.021828
"506969"	482.199124	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M-3H"	-3.021828
"882586"	160.061524	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-3H"	-3.021828
"8824"	482.199124	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M-2H"	-2.014552
"452401"	723.802324	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M-2H"	-2.014552
"821818"	240.595924	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-2H"	-2.014552
"82904"	965.405524	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M-H"	-1.007276
"525744"	1448.611924	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M-H"	-1.007276
"904639"	482.199124	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-H"	-1.007276
"57928"	982.432071	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M-2H+NH4"	16.019271
"492017"	1465.638471	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M-2H+NH4"	16.019271
"865077"	499.225671	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-2H+NH4"	16.019271
"34440"	987.387466	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M-2H+Na"	20.974666
"477282"	1470.593866	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M-2H+Na"	20.974666
"855084"	504.181066	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-2H+Na"	20.974666
"1624618"	504.181066	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Na-2H"	20.974666
"102241"	500.187463	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M-H+Cl"	33.962126
"539615"	741.790663	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M-H+Cl"	33.962126
"930942"	258.584263	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-H+Cl"	33.962126
"277518"	1001.382202	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+Cl"	34.969402
"668847"	1484.588602	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+Cl"	34.969402
"1279790"	518.175802	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Cl"	34.969402
"23438"	1003.361406	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M-2H+K"	36.948606
"461902"	1486.567806	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M-2H+K"	36.948606
"838613"	520.155006	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-2H+K"	36.948606
"1559914"	520.155006	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+K-2H"	36.948606
"945972"	528.204594	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-H+HCOOH"	44.998194
"367109"	1011.411001	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+HCOOH-H"	44.998201
"349900"	1025.426651	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+Hac-H"	59.013851
"1493993"	542.220251	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Hac-H"	59.013851
"960439"	550.186551	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-H+NaCOOH"	66.980151
"117366"	518.175802	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+2Cl"	69.938804
"556928"	759.779002	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+2Cl"	69.938804
"1027914"	276.572602	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2Cl"	69.938804
"1249681"	562.125285	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Br"	78.918885
"1314316"	564.181272	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Cl+HCOOH"	80.974872
"1325617"	586.163229	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Cl+NaCOOH"	102.956829
"913757"	596.191986	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M-H+CF3COOH"	112.985586
"1295204"	632.168664	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Cl+CF3COOH"	148.962264
"1376646"	448.193724	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H-2H2O"	-35.012676
"1391954"	466.2037	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H-H2O"	-17.0027
"289453"	967.420076	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+H"	1.007276
"682969"	1450.626476	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+H"	1.007276
"1359318"	484.213676	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H"	1.007276
"128931"	484.213676	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+2H"	2.014552
"570679"	725.816876	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+2H"	2.014552
"1042758"	242.610476	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2H"	2.014552
"208475"	323.144876	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+3H"	3.021828
"650220"	484.213676	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+3H"	3.021828
"1166158"	162.076076	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+3H"	3.021828
"425178"	984.446623	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+NH4"	18.033823
"786415"	1467.653023	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+NH4"	18.033823
"1685672"	501.240223	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+NH4"	18.033823
"330546"	492.7269495	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+H+NH4"	19.041099
"722957"	734.3301495	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+H+NH4"	19.041099
"1477507"	251.1237495	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H+NH4"	19.041099
"393270"	989.402018	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+Na"	22.989218
"754548"	1472.608418	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+Na"	22.989218
"1602887"	506.195618	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Na"	22.989218
"314835"	495.204647	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+H+Na"	23.996494
"708350"	736.807847	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+H+Na"	23.996494
"1462037"	253.601447	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H+Na"	23.996494
"1053107"	169.40339	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2H+Na"	25.00377
"1260259"	516.239886	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+CH3OH+H"	33.033486
"377401"	1005.375958	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+K"	38.963158
"740920"	1488.582358	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+K"	38.963158
"1542978"	522.169558	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+K"	38.963158
"306716"	503.191617	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+H+K"	39.970434
"698043"	744.794817	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+H+K"	39.970434
"1456601"	261.588417	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H+K"	39.970434
"243745"	1008.446626	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+ACN+H"	42.033826
"1220826"	525.240226	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+ACN+H"	42.033826
"1204711"	263.123751	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+ACN+2H"	43.041102
"201833"	1011.38396	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+2Na-H"	44.97116
"629488"	1494.59036	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+2Na-H"	44.97116
"1131900"	528.17756	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2Na-H"	44.97116
"175189"	506.195618	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+2Na"	45.978436
"614751"	747.798818	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+2Na"	45.978436
"1118986"	264.592418	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2Na"	45.978436
"1410907"	176.730704	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H+2Na"	46.985712
"1440108"	530.219146	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H+HCOOH"	47.012746
"224700"	511.22864	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+3H2O+2H"	56.04448
"1517136"	544.27119	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+IsoProp+H"	61.06479
"416822"	514.182588	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+Na+K"	61.952376
"776725"	755.785788	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+Na+K"	61.952376
"1673057"	272.579388	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Na+K"	61.952376
"258484"	1030.428568	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+ACN+Na"	64.015768
"1231191"	547.222168	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+ACN+Na"	64.015768
"1720077"	547.245693	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+NH4+HCOOH"	64.039293
"1188715"	184.058018	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+3Na"	68.967654
"1660797"	552.201088	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Na+HCOOH"	68.994688
"168751"	1043.33184	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+2K-H"	76.91904
"599929"	1526.53824	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+2K-H"	76.91904
"1089542"	560.12544	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2K-H"	76.91904
"146359"	522.169558	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"2M+2K"	77.926316
"585917"	763.772758	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"3M+2K"	77.926316
"1071164"	280.566358	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2K"	77.926316
"1103646"	562.139992	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2K+H"	78.933592
"1338936"	562.227607	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+DMSO+H"	79.021207
"1010750"	566.266776	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2ACN+H"	83.060376
"1529967"	567.260408	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+IsoProp+Na+H"	84.054008
"994231"	283.637026	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+2ACN+2H"	84.067652
"1593104"	568.175028	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+K+HCOOH"	84.968628
"1417674"	598.206538	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+H+CF3COOH"	115.000138
"1148084"	304.150301	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+3ACN+2H"	125.094202
"1701892"	615.233085	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+NH4+CF3COOH"	132.026685
"1643011"	620.18848	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+Na+CF3COOH"	136.98208
"1580850"	636.16242	"C21251"	"6-Oxokanamycin X"	"C18H33N3O12"	"483.2064"	"M+K+CF3COOH"	152.95602
"807933"	482.2224	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M"	0
"978185"	463.20401	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-H2O-H"	-19.01839
"66428"	320.474324	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M-3H"	-3.021828
"508173"	481.215124	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M-3H"	-3.021828
"884883"	159.733524	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-3H"	-3.021828
"6739"	481.215124	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M-2H"	-2.014552
"446307"	722.326324	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M-2H"	-2.014552
"823022"	240.103924	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-2H"	-2.014552
"84107"	963.437524	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M-H"	-1.007276
"525854"	1445.659924	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M-H"	-1.007276
"903656"	481.215124	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-H"	-1.007276
"59860"	980.464071	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M-2H+NH4"	16.019271
"492127"	1462.686471	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M-2H+NH4"	16.019271
"865554"	498.241671	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-2H+NH4"	16.019271
"34550"	985.419466	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M-2H+Na"	20.974666
"478486"	1467.641866	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M-2H+Na"	20.974666
"857381"	503.197066	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-2H+Na"	20.974666
"1624728"	503.197066	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Na-2H"	20.974666
"100164"	499.203463	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M-H+Cl"	33.962126
"539725"	740.314663	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M-H+Cl"	33.962126
"931416"	258.092263	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-H+Cl"	33.962126
"273985"	999.414202	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+Cl"	34.969402
"667498"	1481.636602	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+Cl"	34.969402
"1279901"	517.191802	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Cl"	34.969402
"23548"	1001.393406	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M-2H+K"	36.948606
"462013"	1483.615806	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M-2H+K"	36.948606
"839817"	519.171006	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-2H+K"	36.948606
"1560024"	519.171006	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+K-2H"	36.948606
"948999"	527.220594	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-H+HCOOH"	44.998194
"364296"	1009.443001	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+HCOOH-H"	44.998201
"352559"	1023.458651	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+Hac-H"	59.013851
"1494466"	541.236251	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Hac-H"	59.013851
"961275"	549.202551	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-H+NaCOOH"	66.980151
"114924"	517.191802	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+2Cl"	69.938804
"554851"	758.303002	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+2Cl"	69.938804
"1027658"	276.080602	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2Cl"	69.938804
"1248697"	561.141285	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Br"	78.918885
"1314424"	563.197272	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Cl+HCOOH"	80.974872
"1330831"	585.179229	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Cl+NaCOOH"	102.956829
"919700"	595.207986	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M-H+CF3COOH"	112.985586
"1290213"	631.184664	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Cl+CF3COOH"	148.962264
"1375663"	447.209724	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H-2H2O"	-35.012676
"1392064"	465.2197	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H-H2O"	-17.0027
"289563"	965.452076	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+H"	1.007276
"678338"	1447.674476	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+H"	1.007276
"1356148"	483.229676	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H"	1.007276
"133416"	483.229676	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+2H"	2.014552
"572977"	724.340876	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+2H"	2.014552
"1042868"	242.118476	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2H"	2.014552
"210771"	322.488876	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+3H"	3.021828
"649236"	483.229676	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+3H"	3.021828
"1166631"	161.748076	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+3H"	3.021828
"427721"	982.478623	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+NH4"	18.033823
"787623"	1464.701023	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+NH4"	18.033823
"1683595"	500.256223	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+NH4"	18.033823
"330656"	491.7429495	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+H+NH4"	19.041099
"723800"	732.8541495	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+H+NH4"	19.041099
"1478839"	250.6317495	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H+NH4"	19.041099
"393507"	987.434018	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+Na"	22.989218
"755596"	1469.656418	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+Na"	22.989218
"1603327"	505.211618	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Na"	22.989218
"317743"	494.220647	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+H+Na"	23.996494
"708828"	735.331847	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+H+Na"	23.996494
"1462035"	253.109447	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H+Na"	23.996494
"1053948"	169.07539	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2H+Na"	25.00377
"1260734"	515.255886	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+CH3OH+H"	33.033486
"379307"	1003.407958	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+K"	38.963158
"742127"	1485.630358	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+K"	38.963158
"1547462"	521.185558	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+K"	38.963158
"310106"	502.207617	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+H+K"	39.970434
"700340"	743.318817	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+H+K"	39.970434
"1455253"	261.096417	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H+K"	39.970434
"246042"	1006.478626	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+ACN+H"	42.033826
"1222029"	524.256226	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+ACN+H"	42.033826
"1204821"	262.631751	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+ACN+2H"	43.041102
"200970"	1009.41596	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+2Na-H"	44.97116
"630688"	1491.63836	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+2Na-H"	44.97116
"1133467"	527.19356	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2Na-H"	44.97116
"175420"	505.211618	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+2Na"	45.978436
"616682"	746.322818	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+2Na"	45.978436
"1117638"	264.100418	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2Na"	45.978436
"1408461"	176.402704	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H+2Na"	46.985712
"1442039"	529.235146	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H+HCOOH"	47.012746
"225904"	510.24464	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+3H2O+2H"	56.04448
"1521256"	543.28719	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+IsoProp+H"	61.06479
"416932"	513.198588	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+Na+K"	61.952376
"781208"	754.309788	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+Na+K"	61.952376
"1678633"	272.087388	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Na+K"	61.952376
"259684"	1028.460568	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+ACN+Na"	64.015768
"1233487"	546.238168	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+ACN+Na"	64.015768
"1722373"	546.261693	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+NH4+HCOOH"	64.039293
"1188825"	183.730018	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+3Na"	68.967654
"1662000"	551.217088	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Na+HCOOH"	68.994688
"171047"	1041.36384	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+2K-H"	76.91904
"606236"	1523.58624	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+2K-H"	76.91904
"1092934"	559.14144	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2K-H"	76.91904
"148657"	521.185558	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"2M+2K"	77.926316
"586027"	762.296758	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"3M+2K"	77.926316
"1071640"	280.074358	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2K"	77.926316
"1102294"	561.155992	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2K+H"	78.933592
"1340139"	561.243607	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+DMSO+H"	79.021207
"1010860"	565.282776	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2ACN+H"	83.060376
"1531170"	566.276408	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+IsoProp+Na+H"	84.054008
"993248"	283.145026	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+2ACN+2H"	84.067652
"1592121"	567.191028	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+K+HCOOH"	84.968628
"1419970"	597.222538	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+H+CF3COOH"	115.000138
"1148075"	303.658301	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+3ACN+2H"	125.094202
"1702002"	614.249085	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+NH4+CF3COOH"	132.026685
"1643121"	619.20448	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+Na+CF3COOH"	136.98208
"1580960"	635.17842	"C21252"	"6-Oxokanamycin C"	"C18H34N4O11"	"482.2224"	"M+K+CF3COOH"	152.95602
"802576"	485.2221	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M"	0
"975015"	466.20371	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-H2O-H"	-19.01839
"65445"	322.474124	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M-3H"	-3.021828
"506097"	484.214824	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M-3H"	-3.021828
"880740"	160.733424	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-3H"	-3.021828
"1377"	484.214824	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M-2H"	-2.014552
"442401"	726.825874	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M-2H"	-2.014552
"825319"	241.603774	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-2H"	-2.014552
"85312"	969.436924	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M-H"	-1.007276
"523778"	1454.659024	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M-H"	-1.007276
"905589"	484.214824	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-H"	-1.007276
"58148"	986.463471	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M-2H+NH4"	16.019271
"493330"	1471.685571	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M-2H+NH4"	16.019271
"867850"	501.241371	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-2H+NH4"	16.019271
"33567"	991.418866	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M-2H+Na"	20.974666
"477502"	1476.640966	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M-2H+Na"	20.974666
"853116"	506.196766	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-2H+Na"	20.974666
"1625931"	506.196766	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Na-2H"	20.974666
"102460"	502.203163	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M-H+Cl"	33.962126
"539834"	744.814213	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M-H+Cl"	33.962126
"930434"	259.592113	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-H+Cl"	33.962126
"271177"	1005.413602	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+Cl"	34.969402
"664693"	1490.635702	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+Cl"	34.969402
"1278918"	520.191502	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Cl"	34.969402
"21472"	1007.392806	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M-2H+K"	36.948606
"462124"	1492.614906	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M-2H+K"	36.948606
"839925"	522.170706	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-2H+K"	36.948606
"1562322"	522.170706	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+K-2H"	36.948606
"948018"	530.220294	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-H+HCOOH"	44.998194
"364773"	1015.442401	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+HCOOH-H"	44.998201
"350482"	1029.458051	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+Hac-H"	59.013851
"1494575"	544.235951	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Hac-H"	59.013851
"961023"	552.202251	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-H+NaCOOH"	66.980151
"112483"	520.191502	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+2Cl"	69.938804
"552773"	762.802552	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+2Cl"	69.938804
"1027405"	277.580452	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2Cl"	69.938804
"1246620"	564.140985	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Br"	78.918885
"1314538"	566.196972	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Cl+HCOOH"	80.974872
"1329846"	588.178929	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Cl+NaCOOH"	102.956829
"919812"	598.207686	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M-H+CF3COOH"	112.985586
"1298705"	634.184364	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Cl+CF3COOH"	148.962264
"1377961"	450.209424	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H-2H2O"	-35.012676
"1392174"	468.2194	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H-H2O"	-17.0027
"291860"	971.451476	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+H"	1.007276
"677721"	1456.673576	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+H"	1.007276
"1355530"	486.229376	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H"	1.007276
"133526"	486.229376	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+2H"	2.014552
"570900"	728.840426	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+2H"	2.014552
"1042978"	243.618326	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2H"	2.014552
"208694"	324.488676	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+3H"	3.021828
"650440"	486.229376	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+3H"	3.021828
"1169662"	162.747976	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+3H"	3.021828
"431838"	988.478023	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+NH4"	18.033823
"796115"	1473.700123	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+NH4"	18.033823
"1689166"	503.255923	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+NH4"	18.033823
"329976"	494.7426495	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+H+NH4"	19.041099
"723462"	737.3536995	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+H+NH4"	19.041099
"1478580"	252.1315995	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H+NH4"	19.041099
"394465"	993.433418	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+Na"	22.989218
"755100"	1478.655518	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+Na"	22.989218
"1605265"	508.211318	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Na"	22.989218
"317852"	497.220347	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+H+Na"	23.996494
"708816"	739.831397	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+H+Na"	23.996494
"1465555"	254.609297	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H+Na"	23.996494
"1056615"	170.07529	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2H+Na"	25.00377
"1269228"	518.255586	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+CH3OH+H"	33.033486
"380147"	1009.407358	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+K"	38.963158
"742238"	1494.629458	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+K"	38.963158
"1548666"	524.185258	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+K"	38.963158
"305843"	505.207317	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+H+K"	39.970434
"701544"	747.818367	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+H+K"	39.970434
"1455362"	262.596267	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H+K"	39.970434
"245058"	1012.478026	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+ACN+H"	42.033826
"1222139"	527.255926	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+ACN+H"	42.033826
"1204931"	264.131601	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+ACN+2H"	43.041102
"199987"	1015.41536	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+2Na-H"	44.97116
"631163"	1500.63746	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+2Na-H"	44.97116
"1135400"	530.19326	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2Na-H"	44.97116
"176502"	508.211318	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+2Na"	45.978436
"616792"	750.822368	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+2Na"	45.978436
"1119204"	265.600268	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2Na"	45.978436
"1406384"	177.402604	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H+2Na"	46.985712
"1440690"	532.234846	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H+HCOOH"	47.012746
"222733"	513.24434	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+3H2O+2H"	56.04448
"1521729"	546.28689	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+IsoProp+H"	61.06479
"417042"	516.198288	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+Na+K"	61.952376
"779131"	758.809338	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+Na+K"	61.952376
"1675462"	273.587238	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Na+K"	61.952376
"258700"	1034.459968	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+ACN+Na"	64.015768
"1233596"	549.237868	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+ACN+Na"	64.015768
"1722483"	549.261393	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+NH4+HCOOH"	64.039293
"1187841"	184.729918	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+3Na"	68.967654
"1655546"	554.216788	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Na+HCOOH"	68.994688
"168971"	1047.36324	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+2K-H"	76.91904
"603065"	1532.58534	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+2K-H"	76.91904
"1091950"	562.14114	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2K-H"	76.91904
"146580"	524.185258	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"2M+2K"	77.926316
"586136"	766.796308	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"3M+2K"	77.926316
"1070653"	281.574208	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2K"	77.926316
"1101677"	564.155692	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2K+H"	78.933592
"1337333"	564.243307	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+DMSO+H"	79.021207
"1009147"	568.282476	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2ACN+H"	83.060376
"1528000"	569.276108	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+IsoProp+Na+H"	84.054008
"995545"	284.644876	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+2ACN+2H"	84.067652
"1592231"	570.190728	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+K+HCOOH"	84.968628
"1420081"	600.222238	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+H+CF3COOH"	115.000138
"1148184"	305.158151	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+3ACN+2H"	125.094202
"1711591"	617.248785	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+NH4+CF3COOH"	132.026685
"1645420"	622.20418	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+Na+CF3COOH"	136.98208
"1581070"	638.17812	"C21253"	"Kanamycin D"	"C18H35N3O12"	"485.2221"	"M+K+CF3COOH"	152.95602
"803049"	484.2381	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M"	0
"975489"	465.21971	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-H2O-H"	-19.01839
"67742"	321.818124	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M-3H"	-3.021828
"509487"	483.230824	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M-3H"	-3.021828
"884008"	160.405424	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-3H"	-3.021828
"1123"	483.230824	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M-2H"	-2.014552
"443240"	725.349874	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M-2H"	-2.014552
"824336"	241.111774	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-2H"	-2.014552
"84329"	967.468924	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M-H"	-1.007276
"524982"	1451.707024	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M-H"	-1.007276
"902784"	483.230824	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-H"	-1.007276
"54979"	984.495471	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M-2H+NH4"	16.019271
"492347"	1468.733571	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M-2H+NH4"	16.019271
"866867"	500.257371	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-2H+NH4"	16.019271
"32458"	989.450866	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M-2H+Na"	20.974666
"477612"	1473.688966	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M-2H+Na"	20.974666
"856507"	505.212766	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-2H+Na"	20.974666
"1622761"	505.212766	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Na-2H"	20.974666
"101477"	501.219163	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M-H+Cl"	33.962126
"538850"	743.338213	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M-H+Cl"	33.962126
"933460"	259.100113	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-H+Cl"	33.962126
"270923"	1003.445602	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+Cl"	34.969402
"662250"	1487.683702	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+Cl"	34.969402
"1280121"	519.207502	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Cl"	34.969402
"19030"	1005.424806	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M-2H+K"	36.948606
"459683"	1489.662906	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M-2H+K"	36.948606
"837848"	521.186706	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-2H+K"	36.948606
"1560244"	521.186706	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+K-2H"	36.948606
"949221"	529.236294	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-H+HCOOH"	44.998194
"363786"	1013.474401	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+HCOOH-H"	44.998201
"349130"	1027.490051	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+Hac-H"	59.013851
"1496868"	543.251951	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Hac-H"	59.013851
"961861"	551.218251	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-H+NaCOOH"	66.980151
"112590"	519.207502	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+2Cl"	69.938804
"555071"	761.326552	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+2Cl"	69.938804
"1028245"	277.088452	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2Cl"	69.938804
"1246363"	563.156985	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Br"	78.918885
"1313554"	565.212972	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Cl+HCOOH"	80.974872
"1332142"	587.194929	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Cl+NaCOOH"	102.956829
"918828"	597.223686	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M-H+CF3COOH"	112.985586
"1297721"	633.200364	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Cl+CF3COOH"	148.962264
"1375884"	449.225424	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H-2H2O"	-35.012676
"1389004"	467.2354	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H-H2O"	-17.0027
"286503"	969.483476	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+H"	1.007276
"678195"	1453.721576	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+H"	1.007276
"1356733"	485.245376	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H"	1.007276
"129261"	485.245376	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+2H"	2.014552
"569187"	727.364426	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+2H"	2.014552
"1039808"	243.126326	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2H"	2.014552
"206982"	323.832676	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+3H"	3.021828
"645813"	485.245376	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+3H"	3.021828
"1168679"	162.419976	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+3H"	3.021828
"427940"	986.510023	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+NH4"	18.033823
"794039"	1470.748123	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+NH4"	18.033823
"1688185"	502.271923	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+NH4"	18.033823
"335369"	493.7586495	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+H+NH4"	19.041099
"723009"	735.8776995	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+H+NH4"	19.041099
"1477839"	251.6395995	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H+NH4"	19.041099
"393844"	991.465418	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+Na"	22.989218
"754846"	1475.703518	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+Na"	22.989218
"1607198"	507.227318	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Na"	22.989218
"315776"	496.236347	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+H+Na"	23.996494
"707953"	738.355397	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+H+Na"	23.996494
"1464206"	254.117297	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H+Na"	23.996494
"1060005"	169.74729	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2H+Na"	25.00377
"1266058"	517.271586	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+CH3OH+H"	33.033486
"379894"	1007.439358	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+K"	38.963158
"742348"	1491.677458	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+K"	38.963158
"1548776"	523.201258	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+K"	38.963158
"307046"	504.223317	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+H+K"	39.970434
"702747"	746.342367	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+H+K"	39.970434
"1457659"	262.104267	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H+K"	39.970434
"246261"	1010.510026	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+ACN+H"	42.033826
"1220063"	526.271926	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+ACN+H"	42.033826
"1203948"	263.639601	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+ACN+2H"	43.041102
"200097"	1013.44736	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+2Na-H"	44.97116
"633096"	1497.68546	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+2Na-H"	44.97116
"1135144"	529.20926	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2Na-H"	44.97116
"175155"	507.227318	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+2Na"	45.978436
"615078"	749.346368	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+2Na"	45.978436
"1117492"	265.108268	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2Na"	45.978436
"1401024"	177.074604	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H+2Na"	46.985712
"1440800"	531.250846	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H+HCOOH"	47.012746
"227213"	512.26034	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+3H2O+2H"	56.04448
"1518559"	545.30289	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+IsoProp+H"	61.06479
"418245"	515.214288	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+Na+K"	61.952376
"780333"	757.333338	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+Na+K"	61.952376
"1677758"	273.095238	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Na+K"	61.952376
"256986"	1032.491968	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+ACN+Na"	64.015768
"1232613"	548.253868	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+ACN+Na"	64.015768
"1719313"	548.277393	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+NH4+HCOOH"	64.039293
"1187952"	184.401918	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+3Na"	68.967654
"1653470"	553.232788	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Na+HCOOH"	68.994688
"167987"	1045.39524	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+2K-H"	76.91904
"604269"	1529.63334	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+2K-H"	76.91904
"1092060"	561.15714	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2K-H"	76.91904
"145597"	523.201258	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"2M+2K"	77.926316
"585153"	765.320308	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"3M+2K"	77.926316
"1071128"	281.082208	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2K"	77.926316
"1106161"	563.171692	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2K+H"	78.933592
"1338900"	563.259307	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+DMSO+H"	79.021207
"1009986"	567.298476	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2ACN+H"	83.060376
"1527017"	568.292108	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+IsoProp+Na+H"	84.054008
"996748"	284.152876	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+2ACN+2H"	84.067652
"1591248"	569.206728	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+K+HCOOH"	84.968628
"1418003"	599.238238	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+H+CF3COOH"	115.000138
"1148294"	304.666151	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+3ACN+2H"	125.094202
"1711701"	616.264785	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+NH4+CF3COOH"	132.026685
"1646623"	621.22018	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+Na+CF3COOH"	136.98208
"1581180"	637.19412	"C21254"	"3-Deamino-3-hydroxykanamycin B;Nebramycin factor 3"	"C18H36N4O11"	"484.2381"	"M+K+CF3COOH"	152.95602
"802796"	307.1743	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M"	0
"975235"	288.15591	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-H2O-H"	-19.01839
"67852"	203.775590666667	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M-3H"	-3.021828
"509597"	306.167024	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M-3H"	-3.021828
"886305"	101.384157333333	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-3H"	-3.021828
"1602"	306.167024	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M-2H"	-2.014552
"440271"	459.754174	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M-2H"	-2.014552
"826633"	152.579874	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-2H"	-2.014552
"85533"	613.341324	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M-H"	-1.007276
"528371"	920.515624	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M-H"	-1.007276
"903987"	306.167024	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-H"	-1.007276
"55089"	630.367871	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M-2H+NH4"	16.019271
"493552"	937.542171	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M-2H+NH4"	16.019271
"869166"	323.193571	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-2H+NH4"	16.019271
"35975"	635.323266	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M-2H+Na"	20.974666
"472862"	942.497566	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M-2H+Na"	20.974666
"853338"	328.148966	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-2H+Na"	20.974666
"1620076"	328.148966	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Na-2H"	20.974666
"101587"	324.155363	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M-H+Cl"	33.962126
"544428"	477.742513	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M-H+Cl"	33.962126
"934663"	170.568213	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-H+Cl"	33.962126
"273219"	649.318002	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+Cl"	34.969402
"661995"	956.492302	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+Cl"	34.969402
"1277678"	342.143702	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Cl"	34.969402
"22057"	651.297206	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M-2H+K"	36.948606
"459428"	958.471506	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M-2H+K"	36.948606
"835773"	344.122906	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-2H+K"	36.948606
"1559627"	344.122906	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+K-2H"	36.948606
"945322"	352.172494	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-H+HCOOH"	44.998194
"364263"	659.346801	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+HCOOH-H"	44.998201
"349240"	673.362451	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+Hac-H"	59.013851
"1494426"	366.188151	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Hac-H"	59.013851
"961244"	374.154451	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-H+NaCOOH"	66.980151
"113429"	342.143702	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+2Cl"	69.938804
"551533"	495.730852	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+2Cl"	69.938804
"1026894"	188.556552	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2Cl"	69.938804
"1243193"	386.093185	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Br"	78.918885
"1306371"	388.149172	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Cl+HCOOH"	80.974872
"1331159"	410.131129	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Cl+NaCOOH"	102.956829
"917844"	420.159886	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M-H+CF3COOH"	112.985586
"1298924"	456.136564	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Cl+CF3COOH"	148.962264
"1373077"	272.161624	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H-2H2O"	-35.012676
"1391303"	290.1716	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H-H2O"	-17.0027
"290988"	615.355876	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+H"	1.007276
"682316"	922.530176	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+H"	1.007276
"1353927"	308.181576	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H"	1.007276
"131559"	308.181576	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+2H"	2.014552
"567354"	461.768726	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+2H"	2.014552
"1041012"	154.594426	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2H"	2.014552
"207820"	205.790142666667	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+3H"	3.021828
"651756"	308.181576	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+3H"	3.021828
"1169881"	103.398709333333	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+3H"	3.021828
"432057"	632.382423	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+NH4"	18.033823
"795242"	939.556723	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+NH4"	18.033823
"1690481"	325.208123	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+NH4"	18.033823
"334386"	316.6948495	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+H+NH4"	19.041099
"722996"	470.2819995	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+H+NH4"	19.041099
"1477258"	163.1076995	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H+NH4"	19.041099
"397120"	637.337818	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+Na"	22.989218
"760303"	944.512118	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+Na"	22.989218
"1606215"	330.163518	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Na"	22.989218
"315764"	319.172547	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+H+Na"	23.996494
"708307"	472.759697	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+H+Na"	23.996494
"1467963"	165.585397	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H+Na"	23.996494
"1059022"	110.726023333333	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2H+Na"	25.00377
"1268355"	340.207786	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+CH3OH+H"	33.033486
"383649"	653.311758	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+K"	38.963158
"743551"	960.486058	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+K"	38.963158
"1548886"	346.137458	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+K"	38.963158
"304969"	327.159517	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+H+K"	39.970434
"702857"	480.746667	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+H+K"	39.970434
"1458499"	173.572367	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H+K"	39.970434
"245278"	656.382426	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+ACN+H"	42.033826
"1220174"	349.208126	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+ACN+H"	42.033826
"1198954"	175.107701	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+ACN+2H"	43.041102
"193648"	659.31976	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+2Na-H"	44.97116
"631747"	966.49406	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+2Na-H"	44.97116
"1134159"	352.14546	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2Na-H"	44.97116
"175993"	330.163518	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+2Na"	45.978436
"614825"	483.750668	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+2Na"	45.978436
"1119058"	176.576368	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2Na"	45.978436
"1400033"	118.053337333333	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H+2Na"	46.985712
"1432159"	354.187046	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H+HCOOH"	47.012746
"226229"	335.19654	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+3H2O+2H"	56.04448
"1513199"	368.23909	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+IsoProp+H"	61.06479
"415073"	338.150488	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+Na+K"	61.952376
"777163"	491.737638	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+Na+K"	61.952376
"1671304"	184.563338	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Na+K"	61.952376
"256729"	678.364368	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+ACN+Na"	64.015768
"1231630"	371.190068	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+ACN+Na"	64.015768
"1719420"	371.213593	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+NH4+HCOOH"	64.039293
"1190248"	125.380651333333	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+3Na"	68.967654
"1662328"	376.168988	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Na+HCOOH"	68.994688
"172353"	691.26764	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+2K-H"	76.91904
"605472"	998.44194	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+2K-H"	76.91904
"1092170"	384.09334	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2K-H"	76.91904
"145707"	346.137458	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"2M+2K"	77.926316
"586356"	499.724608	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"3M+2K"	77.926316
"1073062"	192.550308	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2K"	77.926316
"1106271"	386.107892	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2K+H"	78.933592
"1337310"	386.195507	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+DMSO+H"	79.021207
"1010096"	390.234676	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2ACN+H"	83.060376
"1526028"	391.228308	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+IsoProp+Na+H"	84.054008
"997951"	195.620976	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+2ACN+2H"	84.067652
"1590265"	392.142928	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+K+HCOOH"	84.968628
"1419207"	422.174438	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+H+CF3COOH"	115.000138
"1149496"	216.134251	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+3ACN+2H"	125.094202
"1711084"	439.200985	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+NH4+CF3COOH"	132.026685
"1646733"	444.15638	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+Na+CF3COOH"	136.98208
"1581290"	460.13032	"C21255"	"Lividamine"	"C12H25N3O6"	"307.1743"	"M+K+CF3COOH"	152.95602
"801813"	305.1587	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M"	0
"976438"	286.14031	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-H2O-H"	-19.01839
"69053"	202.431857333333	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M-3H"	-3.021828
"511895"	304.151424	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M-3H"	-3.021828
"888602"	100.712290666667	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-3H"	-3.021828
"7179"	304.151424	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M-2H"	-2.014552
"441273"	456.730774	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M-2H"	-2.014552
"824557"	151.572074	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-2H"	-2.014552
"85643"	609.310124	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M-H"	-1.007276
"526295"	914.468824	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M-H"	-1.007276
"905190"	304.151424	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-H"	-1.007276
"56293"	626.336671	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M-2H+NH4"	16.019271
"492570"	931.495371	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M-2H+NH4"	16.019271
"867090"	321.177971	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-2H+NH4"	16.019271
"38274"	631.292066	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M-2H+Na"	20.974666
"474917"	936.450766	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M-2H+Na"	20.974666
"854542"	326.133366	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-2H+Na"	20.974666
"1624075"	326.133366	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Na-2H"	20.974666
"98416"	322.139763	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M-H+Cl"	33.962126
"543445"	474.719113	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M-H+Cl"	33.962126
"934773"	169.560413	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-H+Cl"	33.962126
"269316"	645.286802	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+Cl"	34.969402
"665386"	950.445502	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+Cl"	34.969402
"1273777"	340.128102	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Cl"	34.969402
"16334"	647.266006	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M-2H+K"	36.948606
"457351"	952.424706	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M-2H+K"	36.948606
"834788"	342.107306	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-2H+K"	36.948606
"1561195"	342.107306	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+K-2H"	36.948606
"943013"	350.156894	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-H+HCOOH"	44.998194
"364740"	655.315601	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+HCOOH-H"	44.998201
"348257"	669.331251	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+Hac-H"	59.013851
"1494174"	364.172551	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Hac-H"	59.013851
"960989"	372.138851	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-H+NaCOOH"	66.980151
"111717"	340.128102	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+2Cl"	69.938804
"551279"	492.707452	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+2Cl"	69.938804
"1025181"	187.548752	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2Cl"	69.938804
"1242574"	384.077585	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Br"	78.918885
"1307209"	386.133572	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Cl+HCOOH"	80.974872
"1329082"	408.115529	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Cl+NaCOOH"	102.956829
"922326"	418.144286	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M-H+CF3COOH"	112.985586
"1296847"	454.120964	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Cl+CF3COOH"	148.962264
"1372823"	270.146024	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H-2H2O"	-35.012676
"1391413"	288.156	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H-H2O"	-17.0027
"288911"	611.324676	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+H"	1.007276
"682426"	916.483376	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+H"	1.007276
"1354767"	306.165976	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H"	1.007276
"130577"	306.165976	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+2H"	2.014552
"569045"	458.745326	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+2H"	2.014552
"1041122"	153.586626	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2H"	2.014552
"210117"	204.446409333333	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+3H"	3.021828
"651866"	306.165976	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+3H"	3.021828
"1171084"	102.726842666667	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+3H"	3.021828
"432167"	628.351223	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+NH4"	18.033823
"795352"	933.509923	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+NH4"	18.033823
"1691686"	323.192523	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+NH4"	18.033823
"341056"	314.6792495	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+H+NH4"	19.041099
"723270"	467.2585995	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+H+NH4"	19.041099
"1477455"	162.0998995	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H+NH4"	19.041099
"397230"	633.306618	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+Na"	22.989218
"762599"	938.465318	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+Na"	22.989218
"1606325"	328.147918	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Na"	22.989218
"316362"	317.156947	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+H+Na"	23.996494
"710240"	469.736297	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+H+Na"	23.996494
"1466980"	164.577597	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H+Na"	23.996494
"1062412"	110.054156666667	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2H+Na"	25.00377
"1264091"	338.192186	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+CH3OH+H"	33.033486
"384854"	649.280558	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+K"	38.963158
"745849"	954.439258	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+K"	38.963158
"1548996"	344.121858	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+K"	38.963158
"303986"	325.143917	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+H+K"	39.970434
"701874"	477.723267	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+H+K"	39.970434
"1456787"	172.564567	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H+K"	39.970434
"247575"	652.351226	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+ACN+H"	42.033826
"1223199"	347.192526	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+ACN+H"	42.033826
"1200887"	174.099901	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+ACN+2H"	43.041102
"198130"	655.28856	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+2Na-H"	44.97116
"630764"	960.44726	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+2Na-H"	44.97116
"1135364"	350.12986	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2Na-H"	44.97116
"176104"	328.147918	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+2Na"	45.978436
"616392"	480.727268	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+2Na"	45.978436
"1119897"	175.568568	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2Na"	45.978436
"1399777"	117.381470666667	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H+2Na"	46.985712
"1431172"	352.171446	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H+HCOOH"	47.012746
"224153"	333.18094	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+3H2O+2H"	56.04448
"1513307"	366.22349	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+IsoProp+H"	61.06479
"414090"	336.134888	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+Na+K"	61.952376
"777273"	488.714238	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+Na+K"	61.952376
"1670321"	183.555538	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Na+K"	61.952376
"255746"	674.333168	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+ACN+Na"	64.015768
"1230281"	369.174468	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+ACN+Na"	64.015768
"1717707"	369.197993	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+NH4+HCOOH"	64.039293
"1187077"	124.708784666667	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+3Na"	68.967654
"1660251"	374.153388	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Na+HCOOH"	68.994688
"164925"	687.23644	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+2K-H"	76.91904
"603396"	992.39514	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+2K-H"	76.91904
"1092280"	382.07774	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2K-H"	76.91904
"146911"	344.121858	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"2M+2K"	77.926316
"585375"	496.701208	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"3M+2K"	77.926316
"1076453"	191.542508	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2K"	77.926316
"1103101"	384.092292	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2K+H"	78.933592
"1336934"	384.179907	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+DMSO+H"	79.021207
"1011299"	388.219076	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2ACN+H"	83.060376
"1526380"	389.212708	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+IsoProp+Na+H"	84.054008
"998061"	194.613176	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+2ACN+2H"	84.067652
"1589281"	390.127328	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+K+HCOOH"	84.968628
"1420410"	420.158838	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+H+CF3COOH"	115.000138
"1148876"	215.126451	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+3ACN+2H"	125.094202
"1712568"	437.185385	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+NH4+CF3COOH"	132.026685
"1646843"	442.14078	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+Na+CF3COOH"	136.98208
"1581400"	458.11472	"C21256"	"6-Oxolividamine"	"C12H23N3O6"	"305.1587"	"M+K+CF3COOH"	152.95602
"802044"	305.1587	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M"	0
"975455"	286.14031	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-H2O-H"	-19.01839
"69162"	202.431857333333	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M-3H"	-3.021828
"509818"	304.151424	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M-3H"	-3.021828
"887619"	100.712290666667	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-3H"	-3.021828
"9476"	304.151424	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M-2H"	-2.014552
"444665"	456.730774	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M-2H"	-2.014552
"824667"	151.572074	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-2H"	-2.014552
"86847"	609.310124	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M-H"	-1.007276
"525311"	914.468824	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M-H"	-1.007276
"902016"	304.151424	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-H"	-1.007276
"58591"	626.336671	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M-2H+NH4"	16.019271
"501678"	931.495371	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M-2H+NH4"	16.019271
"875953"	321.177971	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-2H+NH4"	16.019271
"43853"	631.292066	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M-2H+Na"	20.974666
"482320"	936.450766	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M-2H+Na"	20.974666
"860122"	326.133366	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-2H+Na"	20.974666
"1627468"	326.133366	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Na-2H"	20.974666
"103997"	322.139763	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M-H+Cl"	33.962126
"542463"	474.719113	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M-H+Cl"	33.962126
"939259"	169.560413	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-H+Cl"	33.962126
"273441"	645.286802	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+Cl"	34.969402
"670237"	950.445502	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+Cl"	34.969402
"1280452"	340.128102	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Cl"	34.969402
"25194"	647.266006	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M-2H+K"	36.948606
"464755"	952.424706	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M-2H+K"	36.948606
"836357"	342.107306	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-2H+K"	36.948606
"1563859"	342.107306	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+K-2H"	36.948606
"947369"	350.156894	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-H+HCOOH"	44.998194
"365219"	655.315601	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+HCOOH-H"	44.998201
"347642"	669.331251	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+Hac-H"	59.013851
"1496478"	364.172551	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Hac-H"	59.013851
"961465"	372.138851	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-H+NaCOOH"	66.980151
"116205"	340.128102	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+2Cl"	69.938804
"552847"	492.707452	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+2Cl"	69.938804
"1024927"	187.548752	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2Cl"	69.938804
"1245600"	384.077585	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Br"	78.918885
"1308414"	386.133572	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Cl+HCOOH"	80.974872
"1329194"	408.115529	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Cl+NaCOOH"	102.956829
"918065"	418.144286	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M-H+CF3COOH"	112.985586
"1293678"	454.120964	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Cl+CF3COOH"	148.962264
"1375121"	270.146024	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H-2H2O"	-35.012676
"1390431"	288.156	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H-H2O"	-17.0027
"286835"	611.324676	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+H"	1.007276
"685089"	916.483376	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+H"	1.007276
"1354512"	306.165976	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H"	1.007276
"133970"	306.165976	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+2H"	2.014552
"573531"	458.745326	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+2H"	2.014552
"1046704"	153.586626	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2H"	2.014552
"213511"	204.446409333333	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+3H"	3.021828
"655259"	306.165976	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+3H"	3.021828
"1171197"	102.726842666667	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+3H"	3.021828
"432279"	628.351223	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+NH4"	18.033823
"795466"	933.509923	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+NH4"	18.033823
"1691795"	323.192523	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+NH4"	18.033823
"340072"	314.6792495	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+H+NH4"	19.041099
"723748"	467.2585995	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+H+NH4"	19.041099
"1477363"	162.0998995	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H+NH4"	19.041099
"393326"	633.306618	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+Na"	22.989218
"758337"	938.465318	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+Na"	22.989218
"1604732"	328.147918	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Na"	22.989218
"316105"	317.156947	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+H+Na"	23.996494
"708285"	469.736297	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+H+Na"	23.996494
"1468183"	164.577597	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H+Na"	23.996494
"1062524"	110.054156666667	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2H+Na"	25.00377
"1265296"	338.192186	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+CH3OH+H"	33.033486
"386056"	649.280558	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+K"	38.963158
"752157"	954.439258	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+K"	38.963158
"1552387"	344.121858	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+K"	38.963158
"308472"	325.143917	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+H+K"	39.970434
"701987"	477.723267	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+H+K"	39.970434
"1455803"	172.564567	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H+K"	39.970434
"244407"	652.351226	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+ACN+H"	42.033826
"1221122"	347.192526	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+ACN+H"	42.033826
"1200996"	174.099901	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+ACN+2H"	43.041102
"196055"	655.28856	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+2Na-H"	44.97116
"633425"	960.44726	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+2Na-H"	44.97116
"1135110"	350.12986	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2Na-H"	44.97116
"176579"	328.147918	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+2Na"	45.978436
"614074"	480.727268	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+2Na"	45.978436
"1118916"	175.568568	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2Na"	45.978436
"1401707"	117.381470666667	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H+2Na"	46.985712
"1431645"	352.171446	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H+HCOOH"	47.012746
"222440"	333.18094	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+3H2O+2H"	56.04448
"1510500"	366.22349	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+IsoProp+H"	61.06479
"415293"	336.134888	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+Na+K"	61.952376
"777383"	488.714238	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+Na+K"	61.952376
"1668245"	183.555538	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Na+K"	61.952376
"254034"	674.333168	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+ACN+Na"	64.015768
"1228204"	369.174468	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+ACN+Na"	64.015768
"1715266"	369.197993	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+NH4+HCOOH"	64.039293
"1187189"	124.708784666667	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+3Na"	68.967654
"1658175"	374.153388	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Na+HCOOH"	68.994688
"160662"	687.23644	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+2K-H"	76.91904
"604599"	992.39514	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+2K-H"	76.91904
"1092392"	382.07774	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2K-H"	76.91904
"147021"	344.121858	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"2M+2K"	77.926316
"586579"	496.701208	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"3M+2K"	77.926316
"1076563"	191.542508	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2K"	77.926316
"1103212"	384.092292	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2K+H"	78.933592
"1336681"	384.179907	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+DMSO+H"	79.021207
"1011409"	388.219076	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2ACN+H"	83.060376
"1525401"	389.212708	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+IsoProp+Na+H"	84.054008
"999264"	194.613176	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+2ACN+2H"	84.067652
"1591580"	390.127328	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+K+HCOOH"	84.968628
"1419427"	420.158838	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+H+CF3COOH"	115.000138
"1147895"	215.126451	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+3ACN+2H"	125.094202
"1712610"	437.185385	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+NH4+CF3COOH"	132.026685
"1649141"	442.14078	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+Na+CF3COOH"	136.98208
"1581510"	458.11472	"C21257"	"4-Oxolividamine;3-Deoxy-4-oxoparomamine"	"C12H23N3O6"	"305.1587"	"M+K+CF3COOH"	152.95602
"811875"	304.1747	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M"	0
"979939"	285.15631	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-H2O-H"	-19.01839
"71462"	201.775857333333	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M-3H"	-3.021828
"512114"	303.167424	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M-3H"	-3.021828
"886637"	100.384290666667	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-3H"	-3.021828
"9586"	303.167424	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M-2H"	-2.014552
"445868"	455.254774	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M-2H"	-2.014552
"825870"	151.080074	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-2H"	-2.014552
"88049"	607.342124	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M-H"	-1.007276
"526513"	911.516824	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M-H"	-1.007276
"907599"	303.167424	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-H"	-1.007276
"59677"	624.368671	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M-2H+NH4"	16.019271
"492794"	928.543371	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M-2H+NH4"	16.019271
"872782"	320.193971	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-2H+NH4"	16.019271
"45302"	629.324066	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M-2H+Na"	20.974666
"483524"	933.498766	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M-2H+Na"	20.974666
"860233"	325.149366	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-2H+Na"	20.974666
"1630860"	325.149366	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Na-2H"	20.974666
"107026"	321.155763	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M-H+Cl"	33.962126
"547801"	473.243113	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M-H+Cl"	33.962126
"937183"	169.068413	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-H+Cl"	33.962126
"273555"	643.318802	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+Cl"	34.969402
"670350"	947.493502	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+Cl"	34.969402
"1280199"	339.144102	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Cl"	34.969402
"22026"	645.298006	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M-2H+K"	36.948606
"461588"	949.472706	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M-2H+K"	36.948606
"838659"	341.123306	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-2H+K"	36.948606
"1562875"	341.123306	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+K-2H"	36.948606
"949665"	349.172894	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-H+HCOOH"	44.998194
"365331"	653.347601	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+HCOOH-H"	44.998201
"349212"	667.363251	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+Hac-H"	59.013851
"1497320"	363.188551	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Hac-H"	59.013851
"960483"	371.154851	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-H+NaCOOH"	66.980151
"110848"	339.144102	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+2Cl"	69.938804
"551136"	491.231452	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+2Cl"	69.938804
"1024313"	187.056752	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2Cl"	69.938804
"1244257"	383.093585	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Br"	78.918885
"1311810"	385.149572	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Cl+HCOOH"	80.974872
"1326389"	407.131529	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Cl+NaCOOH"	102.956829
"921457"	417.160286	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M-H+CF3COOH"	112.985586
"1294520"	453.136964	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Cl+CF3COOH"	148.962264
"1373410"	269.162024	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H-2H2O"	-35.012676
"1390542"	287.172	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H-H2O"	-17.0027
"289502"	609.356676	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+H"	1.007276
"680829"	913.531376	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+H"	1.007276
"1357177"	305.181976	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H"	1.007276
"138455"	305.181976	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+2H"	2.014552
"578015"	457.269326	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+2H"	2.014552
"1043537"	153.094626	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2H"	2.014552
"216904"	203.790409333333	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+3H"	3.021828
"652091"	305.181976	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+3H"	3.021828
"1173496"	102.398842666667	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+3H"	3.021828
"434580"	626.383223	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+NH4"	18.033823
"795576"	930.557923	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+NH4"	18.033823
"1691906"	322.208523	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+NH4"	18.033823
"342370"	313.6952495	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+H+NH4"	19.041099
"729327"	465.7825995	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+H+NH4"	19.041099
"1482056"	161.6078995	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H+NH4"	19.041099
"396362"	631.338618	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+Na"	22.989218
"759543"	935.513318	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+Na"	22.989218
"1608736"	327.163918	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Na"	22.989218
"318044"	316.172947	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+H+Na"	23.996494
"715569"	468.260297	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+H+Na"	23.996494
"1472670"	164.085597	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H+Na"	23.996494
"1061543"	109.726156666667	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2H+Na"	25.00377
"1269781"	337.208186	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+CH3OH+H"	33.033486
"391637"	647.312558	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+K"	38.963158
"753975"	951.487258	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+K"	38.963158
"1555055"	343.137858	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+K"	38.963158
"311863"	324.159917	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+H+K"	39.970434
"704284"	476.247267	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+H+K"	39.970434
"1455918"	172.072567	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H+K"	39.970434
"248893"	650.383226	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+ACN+H"	42.033826
"1220508"	346.208526	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+ACN+H"	42.033826
"1199286"	173.607901	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+ACN+2H"	43.041102
"193979"	653.32056	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+2Na-H"	44.97116
"633172"	957.49526	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+2Na-H"	44.97116
"1134493"	349.14586	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2Na-H"	44.97116
"174380"	327.163918	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+2Na"	45.978436
"614182"	479.251268	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+2Na"	45.978436
"1115988"	175.076568	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2Na"	45.978436
"1400360"	117.053470666667	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H+2Na"	46.985712
"1431761"	351.187446	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H+HCOOH"	47.012746
"225466"	332.19694	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+3H2O+2H"	56.04448
"1515718"	365.23949	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+IsoProp+H"	61.06479
"415404"	335.150888	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+Na+K"	61.952376
"777493"	487.238238	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+Na+K"	61.952376
"1670541"	183.063538	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Na+K"	61.952376
"252805"	672.365168	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+ACN+Na"	64.015768
"1231230"	368.190468	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+ACN+Na"	64.015768
"1713917"	368.213993	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+NH4+HCOOH"	64.039293
"1186206"	124.380784666667	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+3Na"	68.967654
"1661565"	373.169388	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Na+HCOOH"	68.994688
"165146"	685.26844	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+2K-H"	76.91904
"607988"	989.44314	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+2K-H"	76.91904
"1088125"	381.09374	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2K-H"	76.91904
"147131"	343.137858	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"2M+2K"	77.926316
"586690"	495.225208	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"3M+2K"	77.926316
"1077766"	191.050508	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2K"	77.926316
"1112069"	383.108292	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2K+H"	78.933592
"1338615"	383.195907	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+DMSO+H"	79.021207
"1012617"	387.235076	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2ACN+H"	83.060376
"1534023"	388.228708	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+IsoProp+Na+H"	84.054008
"995004"	194.121176	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+2ACN+2H"	84.067652
"1598256"	389.143328	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+K+HCOOH"	84.968628
"1423914"	419.174838	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+H+CF3COOH"	115.000138
"1157485"	214.634451	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+3ACN+2H"	125.094202
"1712673"	436.201385	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+NH4+CF3COOH"	132.026685
"1647063"	441.15678	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+Na+CF3COOH"	136.98208
"1581620"	457.13072	"C21258"	"4-Oxonebramine"	"C12H24N4O5"	"304.1747"	"M+K+CF3COOH"	152.95602
"802264"	306.1903	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M"	0
"976767"	287.17191	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-H2O-H"	-19.01839
"68288"	203.119590666667	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M-3H"	-3.021828
"507849"	305.183024	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M-3H"	-3.021828
"880307"	101.056157333333	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-3H"	-3.021828
"4226"	305.183024	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M-2H"	-2.014552
"445978"	458.278174	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M-2H"	-2.014552
"829258"	152.087874	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-2H"	-2.014552
"84873"	611.373324	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M-H"	-1.007276
"529902"	917.563624	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M-H"	-1.007276
"909895"	305.183024	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-H"	-1.007276
"58816"	628.399871	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M-2H+NH4"	16.019271
"500804"	934.590171	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M-2H+NH4"	16.019271
"877876"	322.209571	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-2H+NH4"	16.019271
"44074"	633.355266	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M-2H+Na"	20.974666
"482541"	939.545566	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M-2H+Na"	20.974666
"861437"	327.164966	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-2H+Na"	20.974666
"1632063"	327.164966	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Na-2H"	20.974666
"108957"	323.171363	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M-H+Cl"	33.962126
"548882"	476.266513	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M-H+Cl"	33.962126
"939479"	170.076213	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-H+Cl"	33.962126
"278037"	647.350002	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+Cl"	34.969402
"671552"	953.540302	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+Cl"	34.969402
"1279581"	341.159702	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Cl"	34.969402
"25420"	649.329206	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M-2H+K"	36.948606
"464980"	955.519506	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M-2H+K"	36.948606
"844965"	343.138906	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-2H+K"	36.948606
"1566265"	343.138906	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+K-2H"	36.948606
"948682"	351.188494	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-H+HCOOH"	44.998194
"369086"	657.378801	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+HCOOH-H"	44.998201
"348228"	671.394451	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+Hac-H"	59.013851
"1496699"	365.204151	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Hac-H"	59.013851
"958806"	373.170451	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-H+NaCOOH"	66.980151
"110509"	341.159702	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+2Cl"	69.938804
"550759"	494.254852	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+2Cl"	69.938804
"1022353"	188.064552	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2Cl"	69.938804
"1243269"	385.109185	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Br"	78.918885
"1308636"	387.165172	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Cl+HCOOH"	80.974872
"1326133"	409.147129	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Cl+NaCOOH"	102.956829
"915367"	419.175886	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M-H+CF3COOH"	112.985586
"1293169"	455.152564	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Cl+CF3COOH"	148.962264
"1369507"	271.177624	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H-2H2O"	-35.012676
"1386640"	289.1876	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H-H2O"	-17.0027
"283570"	613.387876	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+H"	1.007276
"676927"	919.578176	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+H"	1.007276
"1351813"	307.197576	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H"	1.007276
"141321"	307.197576	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+2H"	2.014552
"581366"	460.292726	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+2H"	2.014552
"1044740"	154.102426	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2H"	2.014552
"217014"	205.134142666667	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+3H"	3.021828
"657665"	307.197576	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+3H"	3.021828
"1172512"	103.070709333333	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+3H"	3.021828
"433595"	630.414423	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+NH4"	18.033823
"795686"	936.604723	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+NH4"	18.033823
"1693109"	324.224123	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+NH4"	18.033823
"342480"	315.7108495	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+H+NH4"	19.041099
"729437"	468.8059995	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+H+NH4"	19.041099
"1482166"	162.6156995	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H+NH4"	19.041099
"397565"	635.369818	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+Na"	22.989218
"759653"	941.560118	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+Na"	22.989218
"1609939"	329.179518	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Na"	22.989218
"319976"	318.188547	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+H+Na"	23.996494
"716772"	471.283697	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+H+Na"	23.996494
"1472780"	165.093397	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H+Na"	23.996494
"1063840"	110.398023333333	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2H+Na"	25.00377
"1272322"	339.223786	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+CH3OH+H"	33.033486
"392600"	651.343758	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+K"	38.963158
"750556"	957.534058	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+K"	38.963158
"1552610"	345.153458	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+K"	38.963158
"313758"	326.175517	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+H+K"	39.970434
"706787"	479.270667	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+H+K"	39.970434
"1457122"	173.080367	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H+K"	39.970434
"246817"	654.414426	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+ACN+H"	42.033826
"1221711"	348.224126	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+ACN+H"	42.033826
"1199032"	174.615701	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+ACN+2H"	43.041102
"191903"	657.35176	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+2Na-H"	44.97116
"632557"	963.54206	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+2Na-H"	44.97116
"1133876"	351.16146	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2Na-H"	44.97116
"174125"	329.179518	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+2Na"	45.978436
"613563"	482.274668	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+2Na"	45.978436
"1116215"	176.084368	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2Na"	45.978436
"1400468"	117.725337333333	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H+2Na"	46.985712
"1432964"	353.203046	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H+HCOOH"	47.012746
"222296"	334.21254	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+3H2O+2H"	56.04448
"1516922"	367.25509	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+IsoProp+H"	61.06479
"414421"	337.166488	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+Na+K"	61.952376
"773228"	490.261638	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+Na+K"	61.952376
"1667371"	184.071338	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Na+K"	61.952376
"253887"	676.396368	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+ACN+Na"	64.015768
"1228424"	370.206068	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+ACN+Na"	64.015768
"1713904"	370.229593	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+NH4+HCOOH"	64.039293
"1181203"	125.052651333333	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+3Na"	68.967654
"1661675"	375.184988	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Na+HCOOH"	68.994688
"161976"	689.29964	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+2K-H"	76.91904
"608098"	995.48994	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+2K-H"	76.91904
"1087506"	383.10934	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2K-H"	76.91904
"142867"	345.153458	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"2M+2K"	77.926316
"584613"	498.248608	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"3M+2K"	77.926316
"1076783"	192.058308	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2K"	77.926316
"1106712"	385.123892	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2K+H"	78.933592
"1339819"	385.211507	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+DMSO+H"	79.021207
"1013820"	389.250676	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2ACN+H"	83.060376
"1527571"	390.244308	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+IsoProp+Na+H"	84.054008
"998394"	195.128976	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+2ACN+2H"	84.067652
"1589980"	391.158928	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+K+HCOOH"	84.968628
"1418557"	421.190438	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+H+CF3COOH"	115.000138
"1157595"	215.642251	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+3ACN+2H"	125.094202
"1711890"	438.216985	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+NH4+CF3COOH"	132.026685
"1646080"	443.17238	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+Na+CF3COOH"	136.98208
"1581730"	459.14632	"C21259"	"Nebramine;3-Deoxyneamine"	"C12H26N4O5"	"306.1903"	"M+K+CF3COOH"	152.95602
"805533"	535.1778	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M"	0
"979064"	516.15941	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-H2O-H"	-19.01839
"68398"	355.777924	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M-3H"	-3.021828
"505772"	534.170524	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M-3H"	-3.021828
"881389"	177.385324	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-3H"	-3.021828
"6523"	534.170524	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M-2H"	-2.014552
"443902"	801.759424	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M-2H"	-2.014552
"823899"	266.581624	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-2H"	-2.014552
"84983"	1069.348324	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M-H"	-1.007276
"531105"	1604.526124	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M-H"	-1.007276
"903439"	534.170524	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-H"	-1.007276
"61969"	1086.374871	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M-2H+NH4"	16.019271
"495201"	1621.552671	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M-2H+NH4"	16.019271
"875190"	551.197071	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-2H+NH4"	16.019271
"45277"	1091.330266	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M-2H+Na"	20.974666
"484837"	1626.508066	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M-2H+Na"	20.974666
"861545"	556.152466	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-2H+Na"	20.974666
"1632780"	556.152466	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Na-2H"	20.974666
"109676"	552.158863	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M-H+Cl"	33.962126
"548262"	819.747763	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M-H+Cl"	33.962126
"939589"	284.569963	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-H+Cl"	33.962126
"275960"	1105.325002	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+Cl"	34.969402
"668382"	1640.502802	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+Cl"	34.969402
"1281878"	570.147202	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Cl"	34.969402
"28810"	1107.304206	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M-2H+K"	36.948606
"466180"	1642.482006	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M-2H+K"	36.948606
"845074"	572.126406	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-2H+K"	36.948606
"1561998"	572.126406	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+K-2H"	36.948606
"949885"	580.175994	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-H+HCOOH"	44.998194
"369196"	1115.353801	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+HCOOH-H"	44.998201
"348705"	1129.369451	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+Hac-H"	59.013851
"1498631"	594.191651	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Hac-H"	59.013851
"959728"	602.157951	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-H+NaCOOH"	66.980151
"110336"	570.147202	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+2Cl"	69.938804
"554638"	837.736102	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+2Cl"	69.938804
"1026718"	302.558302	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2Cl"	69.938804
"1243378"	614.096685	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Br"	78.918885
"1305461"	616.152672	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Cl+HCOOH"	80.974872
"1320075"	638.134629	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Cl+NaCOOH"	102.956829
"921673"	648.163386	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M-H+CF3COOH"	112.985586
"1296195"	684.140064	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Cl+CF3COOH"	148.962264
"1375449"	500.165124	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H-2H2O"	-35.012676
"1384198"	518.1751	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H-H2O"	-17.0027
"284614"	1071.362876	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+H"	1.007276
"675851"	1606.540676	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+H"	1.007276
"1351507"	536.185076	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H"	1.007276
"136490"	536.185076	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+2H"	2.014552
"580547"	803.773976	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+2H"	2.014552
"1047037"	268.596176	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2H"	2.014552
"216760"	357.792476	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+3H"	3.021828
"651217"	536.185076	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+3H"	3.021828
"1175539"	179.399876	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+3H"	3.021828
"432613"	1088.389423	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+NH4"	18.033823
"799077"	1623.567223	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+NH4"	18.033823
"1694316"	553.211623	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+NH4"	18.033823
"341498"	544.6983495	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+H+NH4"	19.041099
"728454"	812.2872495	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+H+NH4"	19.041099
"1482276"	277.1094495	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H+NH4"	19.041099
"397675"	1093.344818	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+Na"	22.989218
"760856"	1628.522618	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+Na"	22.989218
"1611142"	558.167018	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Na"	22.989218
"321179"	547.176047	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+H+Na"	23.996494
"716882"	814.764947	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+H+Na"	23.996494
"1472891"	279.587147	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H+Na"	23.996494
"1061763"	186.72719	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2H+Na"	25.00377
"1266721"	568.211286	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+CH3OH+H"	33.033486
"391492"	1109.318758	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+K"	38.963158
"750667"	1644.496558	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+K"	38.963158
"1552719"	574.140958	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+K"	38.963158
"312813"	555.163017	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+H+K"	39.970434
"704505"	822.751917	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+H+K"	39.970434
"1456138"	287.574117	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H+K"	39.970434
"248019"	1112.389426	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+ACN+H"	42.033826
"1217448"	577.211626	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+ACN+H"	42.033826
"1198412"	289.109451	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+ACN+2H"	43.041102
"193106"	1115.32676	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+2Na-H"	44.97116
"631572"	1650.50456	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+2Na-H"	44.97116
"1135079"	580.14896	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2Na-H"	44.97116
"174722"	558.167018	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+2Na"	45.978436
"614282"	825.755918	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+2Na"	45.978436
"1117300"	290.578118	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2Na"	45.978436
"1399608"	194.054504	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H+2Na"	46.985712
"1432710"	582.190546	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H+HCOOH"	47.012746
"222406"	563.20004	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+3H2O+2H"	56.04448
"1515938"	596.24259	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+IsoProp+H"	61.06479
"414531"	566.153988	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+Na+K"	61.952376
"773338"	833.742888	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+Na+K"	61.952376
"1668573"	298.565088	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Na+K"	61.952376
"255456"	1134.371368	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+ACN+Na"	64.015768
"1230721"	599.193568	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+ACN+Na"	64.015768
"1713651"	599.217093	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+NH4+HCOOH"	64.039293
"1182408"	201.381818	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+3Na"	68.967654
"1660692"	604.172488	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Na+HCOOH"	68.994688
"162086"	1147.27464	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+2K-H"	76.91904
"604928"	1682.45244	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+2K-H"	76.91904
"1087252"	612.09684	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2K-H"	76.91904
"144796"	574.140958	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"2M+2K"	77.926316
"585815"	841.729858	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"3M+2K"	77.926316
"1075800"	306.552058	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2K"	77.926316
"1105728"	614.111392	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2K+H"	78.933592
"1338107"	614.199007	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+DMSO+H"	79.021207
"1012837"	618.238176	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2ACN+H"	83.060376
"1528774"	619.231808	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+IsoProp+Na+H"	84.054008
"998504"	309.622726	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+2ACN+2H"	84.067652
"1589726"	620.146428	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+K+HCOOH"	84.968628
"1418667"	650.177938	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+H+CF3COOH"	115.000138
"1157705"	330.136001	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+3ACN+2H"	125.094202
"1712000"	667.204485	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+NH4+CF3COOH"	132.026685
"1646190"	672.15988	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+Na+CF3COOH"	136.98208
"1581840"	688.13382	"C21260"	"5-Phosphoribosylparomamine"	"C17H34N3O14P"	"535.1778"	"M+K+CF3COOH"	152.95602
"803456"	658.2909	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M"	0
"975164"	639.27251	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-H2O-H"	-19.01839
"68508"	437.853324	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M-3H"	-3.021828
"505882"	657.283624	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M-3H"	-3.021828
"883686"	218.423024	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-3H"	-3.021828
"3353"	657.283624	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M-2H"	-2.014552
"444012"	986.429074	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M-2H"	-2.014552
"826194"	328.138174	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-2H"	-2.014552
"83999"	1315.574524	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M-H"	-1.007276
"530852"	1973.865424	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M-H"	-1.007276
"903549"	657.283624	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-H"	-1.007276
"61827"	1332.601071	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M-2H+NH4"	16.019271
"493124"	1990.891971	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M-2H+NH4"	16.019271
"878580"	674.310171	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-2H+NH4"	16.019271
"43200"	1337.556466	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M-2H+Na"	20.974666
"483855"	1995.847366	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M-2H+Na"	20.974666
"861655"	679.265566	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-2H+Na"	20.974666
"1633376"	679.265566	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Na-2H"	20.974666
"106623"	675.271963	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M-H+Cl"	33.962126
"548371"	1004.417413	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M-H+Cl"	33.962126
"940791"	346.126513	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-H+Cl"	33.962126
"279352"	1351.551202	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+Cl"	34.969402
"668492"	2009.842102	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+Cl"	34.969402
"1284175"	693.260302	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Cl"	34.969402
"27827"	1353.530406	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M-2H+K"	36.948606
"468112"	2011.821306	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M-2H+K"	36.948606
"845550"	695.239506	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-2H+K"	36.948606
"1566484"	695.239506	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+K-2H"	36.948606
"949995"	703.289094	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-H+HCOOH"	44.998194
"369306"	1361.580001	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+HCOOH-H"	44.998201
"351002"	1375.595651	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+Hac-H"	59.013851
"1500927"	717.304751	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Hac-H"	59.013851
"960086"	725.271051	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-H+NaCOOH"	66.980151
"110810"	693.260302	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+2Cl"	69.938804
"559123"	1022.405752	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+2Cl"	69.938804
"1023912"	364.114852	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2Cl"	69.938804
"1243854"	737.209785	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Br"	78.918885
"1306671"	739.265772	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Cl+HCOOH"	80.974872
"1321978"	761.247729	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Cl+NaCOOH"	102.956829
"921784"	771.276486	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M-H+CF3COOH"	112.985586
"1299586"	807.253164	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Cl+CF3COOH"	148.962264
"1369728"	623.278224	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H-2H2O"	-35.012676
"1389778"	641.2882	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H-H2O"	-17.0027
"290558"	1317.589076	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+H"	1.007276
"678239"	1975.879976	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+H"	1.007276
"1352764"	659.298176	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H"	1.007276
"137691"	659.298176	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+2H"	2.014552
"577253"	988.443626	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+2H"	2.014552
"1050062"	330.152726	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2H"	2.014552
"217964"	439.867876	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+3H"	3.021828
"656795"	659.298176	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+3H"	3.021828
"1176867"	220.437576	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+3H"	3.021828
"433818"	1334.615623	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+NH4"	18.033823
"798094"	1992.906523	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+NH4"	18.033823
"1692237"	676.324723	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+NH4"	18.033823
"342706"	667.8114495	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+H+NH4"	19.041099
"729659"	996.9568995	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+H+NH4"	19.041099
"1484573"	338.6659995	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H+NH4"	19.041099
"397785"	1339.571018	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+Na"	22.989218
"762060"	1997.861918	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+Na"	22.989218
"1609066"	681.280118	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Na"	22.989218
"322384"	670.289147	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+H+Na"	23.996494
"718087"	999.434597	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+H+Na"	23.996494
"1475189"	341.143697	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H+Na"	23.996494
"1066007"	227.76489	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2H+Na"	25.00377
"1270842"	691.324386	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+CH3OH+H"	33.033486
"391121"	1355.544958	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+K"	38.963158
"750779"	2013.835858	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+K"	38.963158
"1549549"	697.254058	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+K"	38.963158
"306726"	678.276117	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+H+K"	39.970434
"700242"	1007.421567	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+H+K"	39.970434
"1456248"	349.130667	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H+K"	39.970434
"245943"	1358.615626	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+ACN+H"	42.033826
"1221928"	700.324726	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+ACN+H"	42.033826
"1199252"	350.666001	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+ACN+2H"	43.041102
"193217"	1361.55296	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+2Na-H"	44.97116
"632776"	2019.84386	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+2Na-H"	44.97116
"1139563"	703.26206	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2Na-H"	44.97116
"180666"	681.280118	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+2Na"	45.978436
"615853"	1010.425568	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+2Na"	45.978436
"1117536"	352.134668	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2Na"	45.978436
"1399602"	235.092204	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H+2Na"	46.985712
"1431727"	705.303646	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H+HCOOH"	47.012746
"222516"	686.31314	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+3H2O+2H"	56.04448
"1517142"	719.35569	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+IsoProp+H"	61.06479
"415735"	689.267088	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+Na+K"	61.952376
"776730"	1018.412538	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+Na+K"	61.952376
"1669050"	360.121638	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Na+K"	61.952376
"251680"	1380.597568	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+ACN+Na"	64.015768
"1231196"	722.306668	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+ACN+Na"	64.015768
"1720085"	722.330193	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+NH4+HCOOH"	64.039293
"1186534"	242.419518	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+3Na"	68.967654
"1661895"	727.285588	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Na+HCOOH"	68.994688
"167663"	1393.50084	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+2K-H"	76.91904
"601758"	2051.79174	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+2K-H"	76.91904
"1091736"	735.20994	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2K-H"	76.91904
"149646"	697.254058	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"2M+2K"	77.926316
"590299"	1026.399508	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"3M+2K"	77.926316
"1070442"	368.108608	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2K"	77.926316
"1102555"	737.224492	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2K+H"	78.933592
"1336148"	737.312107	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+DMSO+H"	79.021207
"1014040"	741.351276	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2ACN+H"	83.060376
"1527788"	742.344908	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+IsoProp+Na+H"	84.054008
"998614"	371.179276	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+2ACN+2H"	84.067652
"1589836"	743.259528	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+K+HCOOH"	84.968628
"1422058"	773.291038	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+H+CF3COOH"	115.000138
"1152345"	391.692551	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+3ACN+2H"	125.094202
"1712231"	790.317585	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+NH4+CF3COOH"	132.026685
"1646300"	795.27298	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+Na+CF3COOH"	136.98208
"1581950"	811.24692	"C21261"	"2-N-Acetyl-6-deamino-6-hydroxyparomomycin II"	"C25H46N4O16"	"658.2909"	"M+K+CF3COOH"	152.95602
"805754"	616.2803	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M"	0
"976005"	597.26191	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-H2O-H"	-19.01839
"68619"	409.846257333333	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M-3H"	-3.021828
"509272"	615.273024	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M-3H"	-3.021828
"889263"	204.419490666667	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-3H"	-3.021828
"11119"	615.273024	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M-2H"	-2.014552
"445215"	923.413174	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M-2H"	-2.014552
"817674"	307.132874	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-2H"	-2.014552
"81921"	1231.553324	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M-H"	-1.007276
"519171"	1847.833624	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M-H"	-1.007276
"896733"	615.273024	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-H"	-1.007276
"61452"	1248.579871	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M-2H+NH4"	16.019271
"495421"	1864.860171	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M-2H+NH4"	16.019271
"875410"	632.299571	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-2H+NH4"	16.019271
"45499"	1253.535266	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M-2H+Na"	20.974666
"484330"	1869.815566	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M-2H+Na"	20.974666
"860672"	637.254966	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-2H+Na"	20.974666
"1629111"	637.254966	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Na-2H"	20.974666
"104545"	633.261363	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M-H+Cl"	33.962126
"546292"	941.401513	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M-H+Cl"	33.962126
"939807"	325.121213	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-H+Cl"	33.962126
"277275"	1267.530002	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+Cl"	34.969402
"666415"	1883.810302	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+Cl"	34.969402
"1284285"	651.249702	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Cl"	34.969402
"29027"	1269.509206	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M-2H+K"	36.948606
"469315"	1885.789506	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M-2H+K"	36.948606
"846390"	653.228906	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-2H+K"	36.948606
"1565500"	653.228906	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+K-2H"	36.948606
"952292"	661.278494	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-H+HCOOH"	44.998194
"363949"	1277.558801	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+HCOOH-H"	44.998201
"351112"	1291.574451	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+Hac-H"	59.013851
"1495570"	675.294151	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Hac-H"	59.013851
"961651"	683.260451	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-H+NaCOOH"	66.980151
"110920"	651.249702	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+2Cl"	69.938804
"551211"	959.389852	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+2Cl"	69.938804
"1025477"	343.109552	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2Cl"	69.938804
"1243234"	695.199185	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Br"	78.918885
"1306046"	697.255172	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Cl+HCOOH"	80.974872
"1320263"	719.237129	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Cl+NaCOOH"	102.956829
"916427"	729.265886	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M-H+CF3COOH"	112.985586
"1290949"	765.242564	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Cl+CF3COOH"	148.962264
"1369472"	581.267624	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H-2H2O"	-35.012676
"1386608"	599.2776	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H-H2O"	-17.0027
"290668"	1233.567876	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+H"	1.007276
"677255"	1849.848176	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+H"	1.007276
"1352875"	617.287576	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H"	1.007276
"136709"	617.287576	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+2H"	2.014552
"578457"	925.427726	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+2H"	2.014552
"1047254"	309.147426	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2H"	2.014552
"211878"	411.860809333333	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+3H"	3.021828
"654717"	617.287576	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+3H"	3.021828
"1175760"	206.434042666667	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+3H"	3.021828
"437209"	1250.594423	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+NH4"	18.033823
"797110"	1866.874723	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+NH4"	18.033823
"1693440"	634.314123	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+NH4"	18.033823
"341719"	625.8008495	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+H+NH4"	19.041099
"731957"	933.9409995	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+H+NH4"	19.041099
"1485778"	317.6606995	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H+NH4"	19.041099
"400082"	1255.549818	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+Na"	22.989218
"762170"	1871.830118	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+Na"	22.989218
"1610269"	639.269518	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Na"	22.989218
"323587"	628.278547	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+H+Na"	23.996494
"721113"	936.418697	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+H+Na"	23.996494
"1475299"	320.138397	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H+Na"	23.996494
"1065266"	213.761356666667	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2H+Na"	25.00377
"1271076"	649.313786	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+CH3OH+H"	33.033486
"390622"	1271.523758	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+K"	38.963158
"750888"	1887.804058	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+K"	38.963158
"1552212"	655.243458	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+K"	38.963158
"307930"	636.265517	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+H+K"	39.970434
"703267"	944.405667	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+H+K"	39.970434
"1455264"	328.125367	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H+K"	39.970434
"246052"	1274.594426	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+ACN+H"	42.033826
"1223862"	658.314126	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+ACN+H"	42.033826
"1199362"	329.660701	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+ACN+2H"	43.041102
"193327"	1277.53176	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+2Na-H"	44.97116
"635073"	1893.81206	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+2Na-H"	44.97116
"1136393"	661.25146	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2Na-H"	44.97116
"177496"	639.269518	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+2Na"	45.978436
"613652"	947.409668	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+2Na"	45.978436
"1118376"	331.129368	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2Na"	45.978436
"1401898"	221.088670666667	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H+2Na"	46.985712
"1432930"	663.293046	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H+HCOOH"	47.012746
"224812"	644.30254	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+3H2O+2H"	56.04448
"1518345"	677.34509	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+IsoProp+H"	61.06479
"415845"	647.256488	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+Na+K"	61.952376
"777933"	955.396638	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+Na+K"	61.952376
"1670982"	339.116338	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Na+K"	61.952376
"255313"	1296.576368	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+ACN+Na"	64.015768
"1229119"	680.296068	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+ACN+Na"	64.015768
"1724567"	680.319593	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+NH4+HCOOH"	64.039293
"1192109"	228.415984666667	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+3Na"	68.967654
"1660912"	685.274988	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Na+HCOOH"	68.994688
"172026"	1309.47964	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+2K-H"	76.91904
"600775"	1925.75994	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+2K-H"	76.91904
"1092940"	693.19934	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2K-H"	76.91904
"145384"	655.243458	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"2M+2K"	77.926316
"589315"	963.383608	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"3M+2K"	77.926316
"1069822"	347.103308	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2K"	77.926316
"1102668"	695.213892	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2K+H"	78.933592
"1336016"	695.301507	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+DMSO+H"	79.021207
"1008682"	699.340676	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2ACN+H"	83.060376
"1527899"	700.334308	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+IsoProp+Na+H"	84.054008
"998724"	350.173976	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+2ACN+2H"	84.067652
"1593228"	701.248928	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+K+HCOOH"	84.968628
"1418888"	731.280438	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+H+CF3COOH"	115.000138
"1152455"	370.687251	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+3ACN+2H"	125.094202
"1709665"	748.306985	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+NH4+CF3COOH"	132.026685
"1645317"	753.26238	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+Na+CF3COOH"	136.98208
"1582060"	769.23632	"C21262"	"6-Deamino-6-hydroxyparomomycin II"	"C23H44N4O15"	"616.2803"	"M+K+CF3COOH"	152.95602
"809144"	614.2647	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M"	0
"985957"	595.24631	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-H2O-H"	-19.01839
"72011"	408.502524	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M-3H"	-3.021828
"511570"	613.257424	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M-3H"	-3.021828
"886094"	203.747624	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-3H"	-3.021828
"3576"	613.257424	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M-2H"	-2.014552
"444232"	920.389774	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M-2H"	-2.014552
"818148"	306.125074	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-2H"	-2.014552
"78623"	1227.522124	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M-H"	-1.007276
"519025"	1841.786824	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M-H"	-1.007276
"896352"	613.257424	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-H"	-1.007276
"61199"	1244.548671	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M-2H+NH4"	16.019271
"501979"	1858.813371	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M-2H+NH4"	16.019271
"878443"	630.283971	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-2H+NH4"	16.019271
"44887"	1249.504066	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M-2H+Na"	20.974666
"484568"	1863.768766	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M-2H+Na"	20.974666
"862244"	635.239366	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-2H+Na"	20.974666
"1631777"	635.239366	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Na-2H"	20.974666
"109036"	631.245763	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M-H+Cl"	33.962126
"549283"	938.378113	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M-H+Cl"	33.962126
"940769"	324.113413	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-H+Cl"	33.962126
"278479"	1263.498802	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+Cl"	34.969402
"672843"	1877.763502	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+Cl"	34.969402
"1287680"	649.234102	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Cl"	34.969402
"29745"	1265.478006	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M-2H+K"	36.948606
"466508"	1879.742706	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M-2H+K"	36.948606
"847592"	651.213306	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-2H+K"	36.948606
"1563423"	651.213306	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+K-2H"	36.948606
"946934"	659.262894	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-H+HCOOH"	44.998194
"363332"	1273.527601	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+HCOOH-H"	44.998201
"346235"	1287.543251	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+Hac-H"	59.013851
"1493860"	673.278551	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Hac-H"	59.013851
"959696"	681.244851	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-H+NaCOOH"	66.980151
"111156"	649.234102	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+2Cl"	69.938804
"549983"	956.366452	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+2Cl"	69.938804
"1024493"	342.101752	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2Cl"	69.938804
"1242979"	693.183585	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Br"	78.918885
"1306885"	695.239572	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Cl+HCOOH"	80.974872
"1324020"	717.221529	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Cl+NaCOOH"	102.956829
"917630"	727.250286	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M-H+CF3COOH"	112.985586
"1291422"	763.226964	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Cl+CF3COOH"	148.962264
"1371406"	579.252024	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H-2H2O"	-35.012676
"1389998"	597.262	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H-H2O"	-17.0027
"294058"	1229.536676	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+H"	1.007276
"679553"	1843.801376	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+H"	1.007276
"1357360"	615.271976	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H"	1.007276
"135725"	615.271976	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+2H"	2.014552
"577473"	922.404326	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+2H"	2.014552
"1046271"	308.139626	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2H"	2.014552
"216360"	410.517076	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+3H"	3.021828
"658109"	615.271976	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+3H"	3.021828
"1174047"	205.762176	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+3H"	3.021828
"436226"	1246.563223	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+NH4"	18.033823
"799043"	1860.827923	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+NH4"	18.033823
"1691363"	632.298523	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+NH4"	18.033823
"340735"	623.7852495	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+H+NH4"	19.041099
"736441"	930.9175995	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+H+NH4"	19.041099
"1484795"	316.6528995	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H+NH4"	19.041099
"401287"	1251.518618	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+Na"	22.989218
"763375"	1865.783318	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+Na"	22.989218
"1613661"	637.253918	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Na"	22.989218
"325886"	626.262947	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+H+Na"	23.996494
"718309"	933.395297	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+H+Na"	23.996494
"1472128"	319.130597	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H+Na"	23.996494
"1058817"	213.08949	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2H+Na"	25.00377
"1269242"	647.298186	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+CH3OH+H"	33.033486
"388907"	1267.492558	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+K"	38.963158
"748807"	1881.757258	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+K"	38.963158
"1551954"	653.227858	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+K"	38.963158
"309129"	634.249917	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+H+K"	39.970434
"701552"	941.382267	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+H+K"	39.970434
"1455371"	327.117567	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H+K"	39.970434
"237776"	1270.563226	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+ACN+H"	42.033826
"1216682"	656.298526	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+ACN+H"	42.033826
"1196556"	328.652901	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+ACN+2H"	43.041102
"190884"	1273.50056	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+2Na-H"	44.97116
"631172"	1887.76526	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+2Na-H"	44.97116
"1132490"	659.23586	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2Na-H"	44.97116
"173839"	637.253918	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+2Na"	45.978436
"614611"	944.386268	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+2Na"	45.978436
"1116783"	330.121568	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2Na"	45.978436
"1399212"	220.416804	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H+2Na"	46.985712
"1435225"	661.277446	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H+HCOOH"	47.012746
"224922"	642.28694	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+3H2O+2H"	56.04448
"1510796"	675.32949	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+IsoProp+H"	61.06479
"417048"	645.240888	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+Na+K"	61.952376
"775855"	952.373238	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+Na+K"	61.952376
"1671095"	338.108538	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Na+K"	61.952376
"260895"	1292.545168	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+ACN+Na"	64.015768
"1232511"	678.280468	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+ACN+Na"	64.015768
"1724682"	678.303993	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+NH4+HCOOH"	64.039293
"1187849"	227.744118	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+3Na"	68.967654
"1662116"	683.259388	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Na+HCOOH"	68.994688
"171165"	1305.44844	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+2K-H"	76.91904
"603072"	1919.71314	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+2K-H"	76.91904
"1093050"	691.18374	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2K-H"	76.91904
"148775"	653.227858	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"2M+2K"	77.926316
"587241"	960.360208	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"3M+2K"	77.926316
"1070662"	346.095508	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2K"	77.926316
"1101685"	693.198292	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2K+H"	78.933592
"1337699"	693.285907	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+DMSO+H"	79.021207
"1006356"	697.325076	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2ACN+H"	83.060376
"1526914"	698.318708	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+IsoProp+Na+H"	84.054008
"990076"	349.166176	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+2ACN+2H"	84.067652
"1587131"	699.233328	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+K+HCOOH"	84.968628
"1414619"	729.264838	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+H+CF3COOH"	115.000138
"1153655"	369.679451	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+3ACN+2H"	125.094202
"1709775"	746.291385	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+NH4+CF3COOH"	132.026685
"1645427"	751.24678	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+Na+CF3COOH"	136.98208
"1582170"	767.22072	"C21263"	"6-Deamino-6-oxoparomomycin II"	"C23H42N4O15"	"614.2647"	"M+K+CF3COOH"	152.95602
"809254"	599.3014	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M"	0
"979506"	580.28301	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-H2O-H"	-19.01839
"72121"	398.526990666667	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M-3H"	-3.021828
"510587"	598.294124	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M-3H"	-3.021828
"888391"	198.759857333333	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-3H"	-3.021828
"6966"	598.294124	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M-2H"	-2.014552
"442516"	897.944824	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M-2H"	-2.014552
"819961"	298.643424	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-2H"	-2.014552
"79218"	1197.595524	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M-H"	-1.007276
"519259"	1796.896924	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M-H"	-1.007276
"897670"	598.294124	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-H"	-1.007276
"61423"	1214.622071	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M-2H+NH4"	16.019271
"502088"	1813.923471	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M-2H+NH4"	16.019271
"877822"	615.320671	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-2H+NH4"	16.019271
"45844"	1219.577466	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M-2H+Na"	20.974666
"483825"	1818.878866	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M-2H+Na"	20.974666
"861986"	620.276066	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-2H+Na"	20.974666
"1632736"	620.276066	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Na-2H"	20.974666
"108045"	616.282463	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M-H+Cl"	33.962126
"548577"	915.933163	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M-H+Cl"	33.962126
"941851"	316.631763	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-H+Cl"	33.962126
"277496"	1233.572202	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+Cl"	34.969402
"672103"	1832.873602	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+Cl"	34.969402
"1288151"	634.270802	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Cl"	34.969402
"30955"	1235.551406	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M-2H+K"	36.948606
"466617"	1834.852806	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M-2H+K"	36.948606
"847945"	636.250006	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-2H+K"	36.948606
"1563533"	636.250006	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+K-2H"	36.948606
"948137"	644.299594	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-H+HCOOH"	44.998194
"363078"	1243.601001	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+HCOOH-H"	44.998201
"346833"	1257.616651	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+Hac-H"	59.013851
"1496886"	658.315251	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Hac-H"	59.013851
"959077"	666.281551	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-H+NaCOOH"	66.980151
"110775"	634.270802	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+2Cl"	69.938804
"550580"	933.921502	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+2Cl"	69.938804
"1022534"	334.620102	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2Cl"	69.938804
"1243088"	678.220285	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Br"	78.918885
"1304810"	680.276272	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Cl+HCOOH"	80.974872
"1321942"	702.258229	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Cl+NaCOOH"	102.956829
"917011"	712.286986	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M-H+CF3COOH"	112.985586
"1291534"	748.263664	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Cl+CF3COOH"	148.962264
"1371516"	564.288724	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H-2H2O"	-35.012676
"1390108"	582.2987	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H-H2O"	-17.0027
"288700"	1199.610076	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+H"	1.007276
"678933"	1798.911476	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+H"	1.007276
"1354189"	600.308676	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H"	1.007276
"136564"	600.308676	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+2H"	2.014552
"576489"	899.959376	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+2H"	2.014552
"1046382"	300.657976	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2H"	2.014552
"216469"	400.541542666667	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+3H"	3.021828
"654938"	600.308676	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+3H"	3.021828
"1177072"	200.774409333333	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+3H"	3.021828
"437429"	1216.636623	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+NH4"	18.033823
"799886"	1815.938023	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+NH4"	18.033823
"1693659"	617.335223	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+NH4"	18.033823
"343037"	608.8219495	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+H+NH4"	19.041099
"729989"	908.4726495	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+H+NH4"	19.041099
"1483810"	309.1712495	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H+NH4"	19.041099
"401397"	1221.592018	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+Na"	22.989218
"765672"	1820.893418	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+Na"	22.989218
"1614864"	622.290618	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Na"	22.989218
"321621"	611.299647	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+H+Na"	23.996494
"718418"	910.950347	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+H+Na"	23.996494
"1473333"	311.648947	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H+Na"	23.996494
"1064394"	208.101723333333	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2H+Na"	25.00377
"1266071"	632.334886	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+CH3OH+H"	33.033486
"387923"	1237.565958	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+K"	38.963158
"746733"	1836.867358	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+K"	38.963158
"1548785"	638.264558	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+K"	38.963158
"309239"	619.286617	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+H+K"	39.970434
"699476"	918.937317	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+H+K"	39.970434
"1452204"	319.635917	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H+K"	39.970434
"237522"	1240.636626	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+ACN+H"	42.033826
"1214606"	641.335226	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+ACN+H"	42.033826
"1197030"	321.171251	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+ACN+2H"	43.041102
"191115"	1243.57396	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+2Na-H"	44.97116
"631038"	1842.87536	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+2Na-H"	44.97116
"1132235"	644.27256	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2Na-H"	44.97116
"174679"	622.290618	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+2Na"	45.978436
"613632"	921.941318	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+2Na"	45.978436
"1118597"	322.639918	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2Na"	45.978436
"1400299"	215.429037333333	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H+2Na"	46.985712
"1430591"	646.314146	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H+HCOOH"	47.012746
"221506"	627.32364	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+3H2O+2H"	56.04448
"1510906"	660.36619	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+IsoProp+H"	61.06479
"417158"	630.277588	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+Na+K"	61.952376
"774870"	929.928288	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+Na+K"	61.952376
"1674485"	330.626888	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Na+K"	61.952376
"257724"	1262.618568	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+ACN+Na"	64.015768
"1230433"	663.317168	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+ACN+Na"	64.015768
"1723694"	663.340693	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+NH4+HCOOH"	64.039293
"1189050"	222.756351333333	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+3Na"	68.967654
"1661133"	668.296088	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Na+HCOOH"	68.994688
"170182"	1275.52184	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+2K-H"	76.91904
"607555"	1874.82324	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+2K-H"	76.91904
"1093160"	676.22044	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2K-H"	76.91904
"147790"	638.264558	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"2M+2K"	77.926316
"589537"	937.915258	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"3M+2K"	77.926316
"1072959"	338.613858	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2K"	77.926316
"1102888"	678.234992	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2K+H"	78.933592
"1337448"	678.322607	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+DMSO+H"	79.021207
"1006344"	682.361776	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2ACN+H"	83.060376
"1525200"	683.355408	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+IsoProp+Na+H"	84.054008
"991280"	341.684526	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+2ACN+2H"	84.067652
"1587975"	684.270028	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+K+HCOOH"	84.968628
"1418009"	714.301538	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+H+CF3COOH"	115.000138
"1152671"	362.197801	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+3ACN+2H"	125.094202
"1706605"	731.328085	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+NH4+CF3COOH"	132.026685
"1645537"	736.28348	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+Na+CF3COOH"	136.98208
"1582280"	752.25742	"C21264"	"5-epi-Lividomycin B"	"C23H45N5O13"	"599.3014"	"M+K+CF3COOH"	152.95602
"815563"	453.1959	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M"	0
"989341"	434.17751	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-H2O-H"	-19.01839
"76607"	301.123324	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M-3H"	-3.021828
"513980"	452.188624	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M-3H"	-3.021828
"891782"	150.058024	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-3H"	-3.021828
"10358"	452.188624	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M-2H"	-2.014552
"446639"	678.786574	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M-2H"	-2.014552
"818003"	225.590674	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-2H"	-2.014552
"79575"	905.384524	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M-H"	-1.007276
"522177"	1358.580424	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M-H"	-1.007276
"897061"	452.188624	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-H"	-1.007276
"61169"	922.411071	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M-2H+NH4"	16.019271
"502205"	1375.606971	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M-2H+NH4"	16.019271
"879791"	469.215171	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-2H+NH4"	16.019271
"46774"	927.366466	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M-2H+Na"	20.974666
"487003"	1380.562366	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M-2H+Na"	20.974666
"863889"	474.170566	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-2H+Na"	20.974666
"1633698"	474.170566	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Na-2H"	20.974666
"109906"	470.176963	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M-H+Cl"	33.962126
"549873"	696.774913	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M-H+Cl"	33.962126
"939050"	243.579013	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-H+Cl"	33.962126
"274323"	941.361202	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+Cl"	34.969402
"672213"	1394.557102	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+Cl"	34.969402
"1282428"	488.165302	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Cl"	34.969402
"28994"	943.340406	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M-2H+K"	36.948606
"468555"	1396.536306	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M-2H+K"	36.948606
"846720"	490.144506	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-2H+K"	36.948606
"1570494"	490.144506	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+K-2H"	36.948606
"955907"	498.194094	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-H+HCOOH"	44.998194
"369748"	951.390001	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+HCOOH-H"	44.998201
"350351"	965.405651	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+Hac-H"	59.013851
"1498090"	512.209751	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Hac-H"	59.013851
"959556"	520.176051	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-H+NaCOOH"	66.980151
"111008"	488.165302	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+2Cl"	69.938804
"550687"	714.763252	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+2Cl"	69.938804
"1022893"	261.567352	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2Cl"	69.938804
"1242348"	532.114785	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Br"	78.918885
"1305038"	534.170772	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Cl+HCOOH"	80.974872
"1327887"	556.152729	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Cl+NaCOOH"	102.956829
"916759"	566.181486	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M-H+CF3COOH"	112.985586
"1292373"	602.158164	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Cl+CF3COOH"	148.962264
"1373815"	418.183224	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H-2H2O"	-35.012676
"1396778"	436.1932	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H-H2O"	-17.0027
"287719"	907.399076	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+H"	1.007276
"685607"	1360.594976	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+H"	1.007276
"1360862"	454.203176	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H"	1.007276
"139954"	454.203176	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+2H"	2.014552
"578786"	680.801126	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+2H"	2.014552
"1048678"	227.605226	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2H"	2.014552
"216580"	303.137876	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+3H"	3.021828
"656870"	454.203176	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+3H"	3.021828
"1176453"	152.072576	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+3H"	3.021828
"437539"	924.425623	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+NH4"	18.033823
"799268"	1377.621523	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+NH4"	18.033823
"1693770"	471.229723	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+NH4"	18.033823
"344237"	462.7164495	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+H+NH4"	19.041099
"733380"	689.3143995	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+H+NH4"	19.041099
"1492427"	236.1184995	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H+NH4"	19.041099
"407948"	929.381018	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+Na"	22.989218
"764695"	1382.576918	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+Na"	22.989218
"1611699"	476.185118	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Na"	22.989218
"325016"	465.194147	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+H+Na"	23.996494
"718532"	691.792097	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+H+Na"	23.996494
"1471258"	238.596197	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H+Na"	23.996494
"1059037"	159.39989	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2H+Na"	25.00377
"1262903"	486.229386	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+CH3OH+H"	33.033486
"383665"	945.354958	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+K"	38.963158
"746846"	1398.550858	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+K"	38.963158
"1551083"	492.159058	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+K"	38.963158
"312631"	473.181117	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+H+K"	39.970434
"700679"	699.779067	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+H+K"	39.970434
"1454499"	246.583167	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H+K"	39.970434
"243103"	948.425626	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+ACN+H"	42.033826
"1217996"	495.229726	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+ACN+H"	42.033826
"1197508"	248.118501	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+ACN+2H"	43.041102
"192565"	951.36296	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+2Na-H"	44.97116
"632122"	1404.55886	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+2Na-H"	44.97116
"1132470"	498.16706	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2Na-H"	44.97116
"178922"	476.185118	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+2Na"	45.978436
"614230"	702.783068	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+2Na"	45.978436
"1117615"	249.587168	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2Na"	45.978436
"1399311"	166.727204	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H+2Na"	46.985712
"1430333"	500.208646	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H+HCOOH"	47.012746
"226238"	481.21814	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+3H2O+2H"	56.04448
"1515393"	514.26069	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+IsoProp+H"	61.06479
"416174"	484.172088	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+Na+K"	61.952376
"778265"	710.770038	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+Na+K"	61.952376
"1672409"	257.574138	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Na+K"	61.952376
"263303"	970.407568	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+ACN+Na"	64.015768
"1232731"	517.211668	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+ACN+Na"	64.015768
"1723805"	517.235193	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+NH4+HCOOH"	64.039293
"1188067"	174.054518	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+3Na"	68.967654
"1661243"	522.190588	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Na+HCOOH"	68.994688
"164822"	983.31084	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+2K-H"	76.91904
"604386"	1436.50674	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+2K-H"	76.91904
"1094366"	530.11494	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2K-H"	76.91904
"152276"	492.159058	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"2M+2K"	77.926316
"586369"	718.757008	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"3M+2K"	77.926316
"1070884"	265.561108	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2K"	77.926316
"1105186"	532.129492	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2K+H"	78.933592
"1336709"	532.217107	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+DMSO+H"	79.021207
"1006335"	536.256276	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2ACN+H"	83.060376
"1530419"	537.249908	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+IsoProp+Na+H"	84.054008
"993586"	268.631776	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+2ACN+2H"	84.067652
"1592463"	538.164528	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+K+HCOOH"	84.968628
"1417028"	568.196038	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+H+CF3COOH"	115.000138
"1152785"	289.145051	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+3ACN+2H"	125.094202
"1700518"	585.222585	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+NH4+CF3COOH"	132.026685
"1637991"	590.17798	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+Na+CF3COOH"	136.98208
"1582390"	606.15192	"C21265"	"3-Oxogentamicin A2"	"C17H31N3O11"	"453.1959"	"M+K+CF3COOH"	152.95602
"806193"	454.2275	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M"	0
"976445"	435.20911	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-H2O-H"	-19.01839
"73436"	301.811057333333	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M-3H"	-3.021828
"508622"	453.220224	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M-3H"	-3.021828
"885331"	150.401890666667	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-3H"	-3.021828
"10468"	453.220224	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M-2H"	-2.014552
"448936"	680.333974	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M-2H"	-2.014552
"821275"	226.106474	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-2H"	-2.014552
"79438"	907.447724	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M-H"	-1.007276
"518756"	1361.675224	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M-H"	-1.007276
"895865"	453.220224	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-H"	-1.007276
"52282"	924.474271	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M-2H+NH4"	16.019271
"502427"	1378.701771	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M-2H+NH4"	16.019271
"877674"	470.246771	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-2H+NH4"	16.019271
"46388"	929.429666	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M-2H+Na"	20.974666
"487063"	1383.657166	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M-2H+Na"	20.974666
"857834"	475.202166	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-2H+Na"	20.974666
"1632834"	475.202166	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Na-2H"	20.974666
"108146"	471.208563	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M-H+Cl"	33.962126
"547827"	698.322313	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M-H+Cl"	33.962126
"932959"	244.094813	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-H+Cl"	33.962126
"273339"	943.424402	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+Cl"	34.969402
"673413"	1397.651902	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+Cl"	34.969402
"1286788"	489.196902	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Cl"	34.969402
"29466"	945.403606	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M-2H+K"	36.948606
"469027"	1399.631106	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M-2H+K"	36.948606
"846345"	491.176106	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-2H+K"	36.948606
"1571048"	491.176106	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+K-2H"	36.948606
"957107"	499.225694	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-H+HCOOH"	44.998194
"374232"	953.453201	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+HCOOH-H"	44.998201
"359210"	967.468851	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+Hac-H"	59.013851
"1501480"	513.241351	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Hac-H"	59.013851
"961368"	521.207651	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-H+NaCOOH"	66.980151
"110881"	489.196902	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+2Cl"	69.938804
"551051"	716.310652	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+2Cl"	69.938804
"1023367"	262.083152	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2Cl"	69.938804
"1241974"	533.146385	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Br"	78.918885
"1304544"	535.202372	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Cl+HCOOH"	80.974872
"1321437"	557.184329	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Cl+NaCOOH"	102.956829
"916869"	567.213086	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M-H+CF3COOH"	112.985586
"1292483"	603.189764	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Cl+CF3COOH"	148.962264
"1371738"	419.214824	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H-2H2O"	-35.012676
"1390328"	437.2248	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H-H2O"	-17.0027
"287828"	909.462276	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+H"	1.007276
"682437"	1363.689776	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+H"	1.007276
"1358785"	455.234776	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H"	1.007276
"136054"	455.234776	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+2H"	2.014552
"579626"	682.348526	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+2H"	2.014552
"1048788"	228.121026	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2H"	2.014552
"216689"	303.825609333333	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+3H"	3.021828
"657709"	455.234776	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+3H"	3.021828
"1177292"	152.416442666667	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+3H"	3.021828
"438014"	926.488823	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+NH4"	18.033823
"801165"	1380.716323	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+NH4"	18.033823
"1693880"	472.261323	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+NH4"	18.033823
"342890"	463.7480495	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+H+NH4"	19.041099
"732395"	690.8617995	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+H+NH4"	19.041099
"1487310"	236.6342995	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H+NH4"	19.041099
"403810"	931.444218	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+Na"	22.989218
"764803"	1385.671718	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+Na"	22.989218
"1612901"	477.216718	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Na"	22.989218
"326221"	466.225747	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+H+Na"	23.996494
"719735"	693.339497	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+H+Na"	23.996494
"1468088"	239.111997	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H+Na"	23.996494
"1059147"	159.743756666667	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2H+Na"	25.00377
"1264107"	487.260986	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+CH3OH+H"	33.033486
"381588"	947.418158	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+K"	38.963158
"749141"	1401.645658	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+K"	38.963158
"1547912"	493.190658	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+K"	38.963158
"309459"	474.212717	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+H+K"	39.970434
"699694"	701.326467	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+H+K"	39.970434
"1453516"	247.098967	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H+K"	39.970434
"244306"	950.488826	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+ACN+H"	42.033826
"1212639"	496.261326	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+ACN+H"	42.033826
"1198711"	248.634301	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+ACN+2H"	43.041102
"192675"	953.42616	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+2Na-H"	44.97116
"630409"	1407.65366	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+2Na-H"	44.97116
"1132093"	499.19866	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2Na-H"	44.97116
"175752"	477.216718	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+2Na"	45.978436
"612889"	704.330468	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+2Na"	45.978436
"1115676"	250.102968	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2Na"	45.978436
"1398814"	167.071070666667	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H+2Na"	46.985712
"1430001"	501.240246	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H+HCOOH"	47.012746
"225255"	482.24974	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+3H2O+2H"	56.04448
"1515503"	515.29229	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+IsoProp+H"	61.06479
"418472"	485.203688	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+Na+K"	61.952376
"775095"	712.317438	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+Na+K"	61.952376
"1672519"	258.089938	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Na+K"	61.952376
"261226"	972.470768	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+ACN+Na"	64.015768
"1232841"	518.243268	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+ACN+Na"	64.015768
"1723914"	518.266793	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+NH4+HCOOH"	64.039293
"1187083"	174.398384666667	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+3Na"	68.967654
"1659166"	523.222188	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Na+HCOOH"	68.994688
"163839"	985.37404	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+2K-H"	76.91904
"603403"	1439.60154	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+2K-H"	76.91904
"1093383"	531.14654	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2K-H"	76.91904
"150199"	493.190658	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"2M+2K"	77.926316
"585019"	720.304408	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"3M+2K"	77.926316
"1075368"	266.076908	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2K"	77.926316
"1106390"	533.161092	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2K+H"	78.933592
"1338401"	533.248707	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+DMSO+H"	79.021207
"1006079"	537.287876	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2ACN+H"	83.060376
"1530529"	538.281508	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+IsoProp+Na+H"	84.054008
"994789"	269.147576	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+2ACN+2H"	84.067652
"1594760"	539.196128	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+K+HCOOH"	84.968628
"1419325"	569.227638	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+H+CF3COOH"	115.000138
"1153988"	289.660851	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+3ACN+2H"	125.094202
"1700264"	586.254185	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+NH4+CF3COOH"	132.026685
"1638101"	591.20958	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+Na+CF3COOH"	136.98208
"1582500"	607.18352	"C21266"	"3-Amino-3-deoxygentamicin A2;3-Demethyl-gentamicin A"	"C17H34N4O10"	"454.2275"	"M+K+CF3COOH"	152.95602
"803023"	480.2431	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M"	0
"976555"	461.22471	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-H2O-H"	-19.01839
"73546"	319.154790666667	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M-3H"	-3.021828
"507638"	479.235824	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M-3H"	-3.021828
"885441"	159.073757333333	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-3H"	-3.021828
"10578"	479.235824	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M-2H"	-2.014552
"449046"	719.357374	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M-2H"	-2.014552
"819198"	239.114274	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-2H"	-2.014552
"81378"	959.478924	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M-H"	-1.007276
"518816"	1439.722024	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M-H"	-1.007276
"895767"	479.235824	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-H"	-1.007276
"52028"	976.505471	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M-2H+NH4"	16.019271
"498159"	1456.748571	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M-2H+NH4"	16.019271
"877783"	496.262371	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-2H+NH4"	16.019271
"44956"	981.460866	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M-2H+Na"	20.974666
"484150"	1461.703966	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M-2H+Na"	20.974666
"859037"	501.217766	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-2H+Na"	20.974666
"1628568"	501.217766	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Na-2H"	20.974666
"105098"	497.224163	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M-H+Cl"	33.962126
"545750"	737.345713	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M-H+Cl"	33.962126
"939265"	257.102613	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-H+Cl"	33.962126
"271261"	995.455602	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+Cl"	34.969402
"673524"	1475.698702	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+Cl"	34.969402
"1283739"	515.212502	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Cl"	34.969402
"29455"	997.434806	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M-2H+K"	36.948606
"468044"	1477.677906	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M-2H+K"	36.948606
"845847"	517.191706	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-2H+K"	36.948606
"1570430"	517.191706	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+K-2H"	36.948606
"957217"	525.241294	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-H+HCOOH"	44.998194
"369968"	1005.484401	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+HCOOH-H"	44.998201
"356040"	1019.500051	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+Hac-H"	59.013851
"1500496"	539.256951	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Hac-H"	59.013851
"961478"	547.223251	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-H+NaCOOH"	66.980151
"110465"	515.212502	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+2Cl"	69.938804
"552134"	755.334052	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+2Cl"	69.938804
"1022021"	275.090952	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2Cl"	69.938804
"1241792"	559.161985	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Br"	78.918885
"1304770"	561.217972	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Cl+HCOOH"	80.974872
"1324827"	583.199929	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Cl+NaCOOH"	102.956829
"920259"	593.228686	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M-H+CF3COOH"	112.985586
"1294780"	629.205364	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Cl+CF3COOH"	148.962264
"1371118"	445.230424	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H-2H2O"	-35.012676
"1390438"	463.2404	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H-H2O"	-17.0027
"289032"	961.493476	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+H"	1.007276
"682547"	1441.736576	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+H"	1.007276
"1357802"	481.250376	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H"	1.007276
"135070"	481.250376	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+2H"	2.014552
"577913"	721.371926	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+2H"	2.014552
"1048534"	241.128826	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2H"	2.014552
"216799"	321.169342666667	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+3H"	3.021828
"656360"	481.250376	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+3H"	3.021828
"1175579"	161.088309333333	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+3H"	3.021828
"437031"	978.520023	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+NH4"	18.033823
"800215"	1458.763123	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+NH4"	18.033823
"1693991"	498.276923	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+NH4"	18.033823
"343970"	489.7636495	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+H+NH4"	19.041099
"732505"	729.8851995	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+H+NH4"	19.041099
"1486327"	249.6420995	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H+NH4"	19.041099
"399537"	983.475418	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+Na"	22.989218
"760532"	1463.718518	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+Na"	22.989218
"1611916"	503.232318	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Na"	22.989218
"320858"	492.241347	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+H+Na"	23.996494
"717658"	732.362897	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+H+Na"	23.996494
"1467104"	252.119797	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H+Na"	23.996494
"1059257"	168.415623333333	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2H+Na"	25.00377
"1262030"	513.276586	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+CH3OH+H"	33.033486
"381697"	999.449358	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+K"	38.963158
"744878"	1479.692458	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+K"	38.963158
"1545836"	519.206258	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+K"	38.963158
"305197"	500.228317	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+H+K"	39.970434
"697619"	740.349867	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+H+K"	39.970434
"1452533"	260.106767	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H+K"	39.970434
"238951"	1002.520026	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+ACN+H"	42.033826
"1211656"	522.276926	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+ACN+H"	42.033826
"1197727"	261.642101	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+ACN+2H"	43.041102
"189506"	1005.45736	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+2Na-H"	44.97116
"629426"	1485.70046	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+2Na-H"	44.97116
"1132566"	525.21426	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2Na-H"	44.97116
"175862"	503.232318	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+2Na"	45.978436
"613598"	743.353868	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+2Na"	45.978436
"1116004"	263.110768	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2Na"	45.978436
"1398717"	175.742937333333	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H+2Na"	46.985712
"1430474"	527.255846	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H+HCOOH"	47.012746
"224272"	508.26534	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+3H2O+2H"	56.04448
"1514520"	541.30789	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+IsoProp+H"	61.06479
"415302"	511.219288	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+Na+K"	61.952376
"778485"	751.340838	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+Na+K"	61.952376
"1674816"	271.097738	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Na+K"	61.952376
"261337"	1024.501968	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+ACN+Na"	64.015768
"1232952"	544.258868	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+ACN+Na"	64.015768
"1724026"	544.282393	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+NH4+HCOOH"	64.039293
"1185006"	183.070251333333	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+3Na"	68.967654
"1661463"	549.237788	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Na+HCOOH"	68.994688
"169417"	1037.40524	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+2K-H"	76.91904
"603513"	1517.64834	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+2K-H"	76.91904
"1091306"	557.16214	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2K-H"	76.91904
"152495"	519.206258	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"2M+2K"	77.926316
"588773"	759.327808	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"3M+2K"	77.926316
"1069279"	279.084708	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2K"	77.926316
"1102125"	559.176692	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2K+H"	78.933592
"1337417"	559.264307	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+DMSO+H"	79.021207
"1005942"	563.303476	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2ACN+H"	83.060376
"1525167"	564.297108	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+IsoProp+Na+H"	84.054008
"992713"	282.155376	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+2ACN+2H"	84.067652
"1594870"	565.211728	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+K+HCOOH"	84.968628
"1419435"	595.243238	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+H+CF3COOH"	115.000138
"1153004"	302.668651	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+3ACN+2H"	125.094202
"1700374"	612.269785	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+NH4+CF3COOH"	132.026685
"1638211"	617.22518	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+Na+CF3COOH"	136.98208
"1582610"	633.19912	"C21267"	"6-Oxogentamicin X2"	"C19H36N4O10"	"480.2431"	"M+K+CF3COOH"	152.95602
"803496"	494.2588	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M"	0
"977029"	475.24041	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-H2O-H"	-19.01839
"73656"	328.498590666667	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M-3H"	-3.021828
"514310"	493.251524	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M-3H"	-3.021828
"885551"	163.745657333333	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-3H"	-3.021828
"15188"	493.251524	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M-2H"	-2.014552
"450250"	740.380924	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M-2H"	-2.014552
"821495"	246.122124	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-2H"	-2.014552
"81488"	987.510324	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M-H"	-1.007276
"519211"	1481.769124	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M-H"	-1.007276
"896406"	493.251524	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-H"	-1.007276
"54323"	1004.536871	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M-2H+NH4"	16.019271
"498269"	1498.795671	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M-2H+NH4"	16.019271
"877772"	510.278071	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-2H+NH4"	16.019271
"43608"	1009.492266	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M-2H+Na"	20.974666
"483895"	1503.751066	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M-2H+Na"	20.974666
"860240"	515.233466	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-2H+Na"	20.974666
"1630137"	515.233466	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Na-2H"	20.974666
"106302"	511.239863	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M-H+Cl"	33.962126
"546590"	758.369263	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M-H+Cl"	33.962126
"940468"	264.110463	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-H+Cl"	33.962126
"271371"	1023.487002	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+Cl"	34.969402
"669260"	1517.745802	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+Cl"	34.969402
"1280568"	529.228202	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Cl"	34.969402
"25312"	1025.466206	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M-2H+K"	36.948606
"467060"	1519.725006	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M-2H+K"	36.948606
"844862"	531.207406	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-2H+K"	36.948606
"1565069"	531.207406	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+K-2H"	36.948606
"956113"	539.256994	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-H+HCOOH"	44.998194
"374450"	1033.515801	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+HCOOH-H"	44.998201
"360036"	1047.531451	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+Hac-H"	59.013851
"1506438"	553.272651	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Hac-H"	59.013851
"964868"	561.238951	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-H+NaCOOH"	66.980151
"113046"	529.228202	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+2Cl"	69.938804
"553337"	776.357602	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+2Cl"	69.938804
"1023591"	282.098802	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2Cl"	69.938804
"1242072"	573.177685	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Br"	78.918885
"1304884"	575.233672	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Cl+HCOOH"	80.974872
"1323478"	597.215629	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Cl+NaCOOH"	102.956829
"915266"	607.244386	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M-H+CF3COOH"	112.985586
"1294889"	643.221064	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Cl+CF3COOH"	148.962264
"1371591"	459.246124	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H-2H2O"	-35.012676
"1390547"	477.2561	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H-H2O"	-17.0027
"289142"	989.524876	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+H"	1.007276
"682656"	1483.783676	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+H"	1.007276
"1354631"	495.266076	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H"	1.007276
"140281"	495.266076	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+2H"	2.014552
"580210"	742.395476	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+2H"	2.014552
"1047915"	248.136676	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2H"	2.014552
"218003"	330.513142666667	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+3H"	3.021828
"659714"	495.266076	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+3H"	3.021828
"1176782"	165.760209333333	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+3H"	3.021828
"439530"	1006.551423	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+NH4"	18.033823
"801296"	1500.810223	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+NH4"	18.033823
"1696287"	512.292623	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+NH4"	18.033823
"344936"	503.7793495	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+H+NH4"	19.041099
"735894"	750.9087495	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+H+NH4"	19.041099
"1484250"	256.6499495	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H+NH4"	19.041099
"399647"	1011.506818	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+Na"	22.989218
"761736"	1505.765618	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+Na"	22.989218
"1609833"	517.248018	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Na"	22.989218
"322061"	506.257047	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+H+Na"	23.996494
"718497"	753.386447	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+H+Na"	23.996494
"1474867"	259.127647	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H+Na"	23.996494
"1064833"	173.087523333333	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2H+Na"	25.00377
"1267606"	527.292286	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+CH3OH+H"	33.033486
"383993"	1027.480758	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+K"	38.963158
"746080"	1521.739558	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+K"	38.963158
"1550320"	533.221958	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+K"	38.963158
"306401"	514.244017	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+H+K"	39.970434
"698823"	761.373417	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+H+K"	39.970434
"1453739"	267.114617	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H+K"	39.970434
"242342"	1030.551426	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+ACN+H"	42.033826
"1218328"	536.292626	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+ACN+H"	42.033826
"1201119"	268.649951	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+ACN+2H"	43.041102
"196177"	1033.48876	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+2Na-H"	44.97116
"629538"	1527.74756	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+2Na-H"	44.97116
"1132032"	539.22996	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2Na-H"	44.97116
"179253"	517.248018	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+2Na"	45.978436
"616627"	764.377418	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+2Na"	45.978436
"1117581"	270.118618	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2Na"	45.978436
"1399402"	180.414837333333	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H+2Na"	46.985712
"1431153"	541.271546	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H+HCOOH"	47.012746
"226570"	522.28104	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+3H2O+2H"	56.04448
"1514631"	555.32359	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+IsoProp+H"	61.06479
"418692"	525.234988	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+Na+K"	61.952376
"784062"	772.364388	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+Na+K"	61.952376
"1674926"	278.105588	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Na+K"	61.952376
"266554"	1052.533368	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+ACN+Na"	64.015768
"1236342"	558.274568	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+ACN+Na"	64.015768
"1726322"	558.298093	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+NH4+HCOOH"	64.039293
"1189488"	187.742151333333	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+3Na"	68.967654
"1664125"	563.253488	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Na+HCOOH"	68.994688
"170260"	1065.43664	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+2K-H"	76.91904
"607996"	1559.69544	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+2K-H"	76.91904
"1095789"	571.17784	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2K-H"	76.91904
"154428"	533.221958	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"2M+2K"	77.926316
"592163"	780.351358	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"3M+2K"	77.926316
"1070114"	286.092558	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2K"	77.926316
"1102355"	573.192392	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2K+H"	78.933592
"1336794"	573.280007	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+DMSO+H"	79.021207
"1005785"	577.319176	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2ACN+H"	83.060376
"1524791"	578.312808	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+IsoProp+Na+H"	84.054008
"992823"	289.163226	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+2ACN+2H"	84.067652
"1592794"	579.227428	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+K+HCOOH"	84.968628
"1420638"	609.258938	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+H+CF3COOH"	115.000138
"1153115"	309.676501	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+3ACN+2H"	125.094202
"1700484"	626.285485	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+NH4+CF3COOH"	132.026685
"1638321"	631.24088	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+Na+CF3COOH"	136.98208
"1582720"	647.21482	"C21268"	"6-Oxo-G418"	"C20H38N4O10"	"494.2588"	"M+K+CF3COOH"	152.95602
"806522"	495.2904	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M"	0
"976773"	476.27201	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-H2O-H"	-19.01839
"73766"	329.186324	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M-3H"	-3.021828
"515513"	494.283124	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M-3H"	-3.021828
"888940"	164.089524	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-3H"	-3.021828
"12985"	494.283124	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M-2H"	-2.014552
"453277"	741.928324	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M-2H"	-2.014552
"823792"	246.637924	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-2H"	-2.014552
"81595"	989.573524	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M-H"	-1.007276
"520787"	1484.863924	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M-H"	-1.007276
"896156"	494.283124	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-H"	-1.007276
"51153"	1006.600071	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M-2H+NH4"	16.019271
"495099"	1501.890471	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M-2H+NH4"	16.019271
"876181"	511.309671	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-2H+NH4"	16.019271
"41895"	1011.555466	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M-2H+Na"	20.974666
"481453"	1506.845866	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M-2H+Na"	20.974666
"860350"	516.265066	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-2H+Na"	20.974666
"1627694"	516.265066	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Na-2H"	20.974666
"106410"	512.271463	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M-H+Cl"	33.962126
"544878"	759.916663	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M-H+Cl"	33.962126
"940214"	264.626263	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-H+Cl"	33.962126
"273669"	1025.550202	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+Cl"	34.969402
"669371"	1520.840602	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+Cl"	34.969402
"1281773"	530.259802	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Cl"	34.969402
"25423"	1027.529406	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M-2H+K"	36.948606
"467172"	1522.819806	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M-2H+K"	36.948606
"843879"	532.239006	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-2H+K"	36.948606
"1565178"	532.239006	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+K-2H"	36.948606
"955251"	540.288594	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-H+HCOOH"	44.998194
"375656"	1035.579001	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+HCOOH-H"	44.998201
"356259"	1049.594651	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+Hac-H"	59.013851
"1501811"	554.304251	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Hac-H"	59.013851
"962791"	562.270551	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-H+NaCOOH"	66.980151
"114980"	530.259802	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+2Cl"	69.938804
"554540"	777.905002	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+2Cl"	69.938804
"1024432"	282.614602	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2Cl"	69.938804
"1243645"	574.209285	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Br"	78.918885
"1305726"	576.265272	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Cl+HCOOH"	80.974872
"1321035"	598.247229	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Cl+NaCOOH"	102.956829
"912095"	608.275986	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M-H+CF3COOH"	112.985586
"1293906"	644.252664	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Cl+CF3COOH"	148.962264
"1373161"	460.277724	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H-2H2O"	-35.012676
"1391751"	478.2877	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H-H2O"	-17.0027
"290346"	991.588076	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+H"	1.007276
"684953"	1486.878476	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+H"	1.007276
"1354741"	496.297676	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H"	1.007276
"139662"	496.297676	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+2H"	2.014552
"580321"	743.942876	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+2H"	2.014552
"1052401"	248.652476	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2H"	2.014552
"218479"	331.200876	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+3H"	3.021828
"658769"	496.297676	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+3H"	3.021828
"1176165"	166.104076	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+3H"	3.021828
"439562"	1008.614623	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+NH4"	18.033823
"800676"	1503.905023	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+NH4"	18.033823
"1696280"	513.324223	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+NH4"	18.033823
"345456"	504.8109495	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+H+NH4"	19.041099
"735276"	752.4561495	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+H+NH4"	19.041099
"1486547"	257.1657495	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H+NH4"	19.041099
"401946"	1013.570018	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+Na"	22.989218
"760753"	1508.860418	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+Na"	22.989218
"1609946"	518.279618	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Na"	22.989218
"323264"	507.288647	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+H+Na"	23.996494
"716781"	754.933847	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+H+Na"	23.996494
"1473883"	259.643447	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H+Na"	23.996494
"1066037"	173.43139	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2H+Na"	25.00377
"1268806"	528.323886	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+CH3OH+H"	33.033486
"388113"	1029.543958	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+K"	38.963158
"748377"	1524.834358	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+K"	38.963158
"1548242"	534.253558	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+K"	38.963158
"306511"	515.275617	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+H+K"	39.970434
"698933"	762.920817	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+H+K"	39.970434
"1454941"	267.630417	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H+K"	39.970434
"239170"	1032.614626	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+ACN+H"	42.033826
"1220624"	537.324226	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+ACN+H"	42.033826
"1201228"	269.165751	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+ACN+2H"	43.041102
"193372"	1035.55196	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+2Na-H"	44.97116
"629284"	1530.84236	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+2Na-H"	44.97116
"1131816"	540.26156	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2Na-H"	44.97116
"176447"	518.279618	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+2Na"	45.978436
"614184"	765.924818	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+2Na"	45.978436
"1116353"	270.634418	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2Na"	45.978436
"1399632"	180.758704	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H+2Na"	46.985712
"1430897"	542.303146	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H+HCOOH"	47.012746
"226680"	523.31264	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+3H2O+2H"	56.04448
"1516927"	556.35519	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+IsoProp+H"	61.06479
"418802"	526.266588	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+Na+K"	61.952376
"784172"	773.911788	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+Na+K"	61.952376
"1675036"	278.621388	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Na+K"	61.952376
"266868"	1054.596568	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+ACN+Na"	64.015768
"1236452"	559.306168	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+ACN+Na"	64.015768
"1727283"	559.329693	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+NH4+HCOOH"	64.039293
"1190691"	188.086018	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+3Na"	68.967654
"1664840"	564.285088	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Na+HCOOH"	68.994688
"168543"	1067.49984	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+2K-H"	76.91904
"604824"	1562.79024	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+2K-H"	76.91904
"1094805"	572.20944	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2K-H"	76.91904
"149435"	534.253558	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"2M+2K"	77.926316
"591180"	781.898758	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"3M+2K"	77.926316
"1070346"	286.608358	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2K"	77.926316
"1104533"	574.223992	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2K+H"	78.933592
"1337636"	574.311607	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+DMSO+H"	79.021207
"1006166"	578.350776	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2ACN+H"	83.060376
"1525876"	579.344408	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+IsoProp+Na+H"	84.054008
"992933"	289.679026	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+2ACN+2H"	84.067652
"1590717"	580.259028	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+K+HCOOH"	84.968628
"1418562"	610.290538	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+H+CF3COOH"	115.000138
"1153225"	310.192301	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+3ACN+2H"	125.094202
"1703874"	627.317085	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+NH4+CF3COOH"	132.026685
"1641712"	632.27248	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+Na+CF3COOH"	136.98208
"1582830"	648.24642	"C21269"	"Antibiotic JI-20Ba;JI-20Ba"	"C20H41N5O9"	"495.2904"	"M+K+CF3COOH"	152.95602
"802258"	463.3006	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M"	0
"975061"	444.28221	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-H2O-H"	-19.01839
"63012"	307.859790666667	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M-3H"	-3.021828
"512343"	462.293324	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M-3H"	-3.021828
"887957"	153.426257333333	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-3H"	-3.021828
"12002"	462.293324	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M-2H"	-2.014552
"453751"	693.943624	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M-2H"	-2.014552
"828276"	230.643024	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-2H"	-2.014552
"80612"	925.593924	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M-H"	-1.007276
"520533"	1388.894524	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M-H"	-1.007276
"895666"	462.293324	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-H"	-1.007276
"54543"	942.620471	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M-2H+NH4"	16.019271
"498489"	1405.921071	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M-2H+NH4"	16.019271
"877385"	479.319871	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-2H+NH4"	16.019271
"43098"	947.575866	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M-2H+Na"	20.974666
"482656"	1410.876466	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M-2H+Na"	20.974666
"861188"	484.275266	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-2H+Na"	20.974666
"1627804"	484.275266	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Na-2H"	20.974666
"105426"	480.281663	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M-H+Cl"	33.962126
"541707"	711.931963	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M-H+Cl"	33.962126
"941053"	248.631363	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-H+Cl"	33.962126
"275965"	961.570602	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+Cl"	34.969402
"671668"	1424.871202	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+Cl"	34.969402
"1282976"	498.270002	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Cl"	34.969402
"28813"	963.549806	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M-2H+K"	36.948606
"466188"	1426.850406	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M-2H+K"	36.948606
"840709"	500.249206	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-2H+K"	36.948606
"1565288"	500.249206	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+K-2H"	36.948606
"950986"	508.298794	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-H+HCOOH"	44.998194
"375764"	971.599401	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+HCOOH-H"	44.998201
"358555"	985.615051	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+Hac-H"	59.013851
"1503015"	522.314451	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Hac-H"	59.013851
"968368"	530.280751	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-H+NaCOOH"	66.980151
"115090"	498.270002	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+2Cl"	69.938804
"554650"	729.920302	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+2Cl"	69.938804
"1022718"	266.619702	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2Cl"	69.938804
"1241931"	542.219485	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Br"	78.918885
"1304252"	544.275472	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Cl+HCOOH"	80.974872
"1319969"	566.257429	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Cl+NaCOOH"	102.956829
"911397"	576.286186	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M-H+CF3COOH"	112.985586
"1291830"	612.262864	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Cl+CF3COOH"	148.962264
"1371085"	428.287924	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H-2H2O"	-35.012676
"1390768"	446.2979	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H-H2O"	-17.0027
"288270"	927.608476	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+H"	1.007276
"685063"	1390.909076	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+H"	1.007276
"1354851"	464.307876	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H"	1.007276
"139651"	464.307876	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+2H"	2.014552
"580795"	695.958176	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+2H"	2.014552
"1051054"	232.657576	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2H"	2.014552
"218953"	309.874342666667	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+3H"	3.021828
"658879"	464.307876	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+3H"	3.021828
"1176275"	155.440809333333	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+3H"	3.021828
"439889"	944.635023	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+NH4"	18.033823
"800421"	1407.935623	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+NH4"	18.033823
"1696756"	481.334423	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+NH4"	18.033823
"345240"	472.8211495	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+H+NH4"	19.041099
"734658"	704.4714495	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+H+NH4"	19.041099
"1486657"	241.1708495	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H+NH4"	19.041099
"398774"	949.590418	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+Na"	22.989218
"760863"	1412.891018	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+Na"	22.989218
"1610052"	486.289818	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Na"	22.989218
"322281"	475.298847	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+H+Na"	23.996494
"713608"	706.949147	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+H+Na"	23.996494
"1467431"	243.648547	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H+Na"	23.996494
"1063957"	162.768123333333	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2H+Na"	25.00377
"1270739"	496.334086	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+CH3OH+H"	33.033486
"388223"	965.564358	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+K"	38.963158
"746302"	1428.864958	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+K"	38.963158
"1550539"	502.263758	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+K"	38.963158
"308808"	483.285817	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+H+K"	39.970434
"699043"	714.936117	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+H+K"	39.970434
"1452864"	251.635517	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H+K"	39.970434
"240373"	968.635026	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+ACN+H"	42.033826
"1215266"	505.334426	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+ACN+H"	42.033826
"1203523"	253.170851	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+ACN+2H"	43.041102
"193482"	971.57236	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+2Na-H"	44.97116
"629030"	1434.87296	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+2Na-H"	44.97116
"1132413"	508.27176	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2Na-H"	44.97116
"173275"	486.289818	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+2Na"	45.978436
"613198"	717.940118	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+2Na"	45.978436
"1116216"	254.639518	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2Na"	45.978436
"1399258"	170.095437333333	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H+2Na"	46.985712
"1430110"	510.313346	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H+HCOOH"	47.012746
"226790"	491.32284	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+3H2O+2H"	56.04448
"1517037"	524.36539	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+IsoProp+H"	61.06479
"416725"	494.276788	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+Na+K"	61.952376
"784282"	725.927088	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+Na+K"	61.952376
"1677332"	262.626488	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Na+K"	61.952376
"263853"	990.616968	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+ACN+Na"	64.015768
"1236562"	527.316368	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+ACN+Na"	64.015768
"1727514"	527.339893	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+NH4+HCOOH"	64.039293
"1187521"	177.422751333333	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+3Na"	68.967654
"1661791"	532.295288	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Na+HCOOH"	68.994688
"167558"	1003.52024	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+2K-H"	76.91904
"604934"	1466.82084	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+2K-H"	76.91904
"1094915"	540.21964	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2K-H"	76.91904
"149545"	502.263758	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"2M+2K"	77.926316
"591290"	733.914058	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"3M+2K"	77.926316
"1070460"	270.613458	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2K"	77.926316
"1104643"	542.234192	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2K+H"	78.933592
"1337259"	542.321807	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+DMSO+H"	79.021207
"1007858"	546.360976	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2ACN+H"	83.060376
"1525621"	547.354608	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+IsoProp+Na+H"	84.054008
"994137"	273.684126	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+2ACN+2H"	84.067652
"1593014"	548.269228	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+K+HCOOH"	84.968628
"1419765"	578.300738	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+H+CF3COOH"	115.000138
"1150419"	294.197401	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+3ACN+2H"	125.094202
"1703984"	595.327285	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+NH4+CF3COOH"	132.026685
"1641822"	600.28268	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+Na+CF3COOH"	136.98208
"1582940"	616.25662	"C21270"	"Gentamicin C2a"	"C20H41N5O7"	"463.3006"	"M+K+CF3COOH"	152.95602
"810024"	335.1093	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M"	0
"980275"	316.09091	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-H2O-H"	-19.01839
"66330"	222.398924	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M-3H"	-3.021828
"513546"	334.102024	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M-3H"	-3.021828
"888067"	110.695824	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-3H"	-3.021828
"12112"	334.102024	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M-2H"	-2.014552
"453499"	501.656674	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M-2H"	-2.014552
"822918"	166.547374	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-2H"	-2.014552
"80360"	669.211324	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M-H"	-1.007276
"521373"	1004.320624	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M-H"	-1.007276
"895660"	334.102024	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-H"	-1.007276
"54654"	686.237871	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M-2H+NH4"	16.019271
"502125"	1021.347171	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M-2H+NH4"	16.019271
"875304"	351.128571	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-2H+NH4"	16.019271
"45030"	691.193266	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M-2H+Na"	20.974666
"480579"	1026.302566	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M-2H+Na"	20.974666
"863121"	356.083966	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-2H+Na"	20.974666
"1626821"	356.083966	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Na-2H"	20.974666
"106631"	352.090363	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M-H+Cl"	33.962126
"544004"	519.645013	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M-H+Cl"	33.962126
"938611"	184.535713	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-H+Cl"	33.962126
"277168"	705.188002	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+Cl"	34.969402
"668495"	1040.297302	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+Cl"	34.969402
"1285273"	370.078702	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Cl"	34.969402
"31211"	707.167206	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M-2H+K"	36.948606
"466298"	1042.276506	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M-2H+K"	36.948606
"845192"	372.057906	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-2H+K"	36.948606
"1565398"	372.057906	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+K-2H"	36.948606
"951096"	380.107494	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-H+HCOOH"	44.998194
"376242"	715.216801	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+HCOOH-H"	44.998201
"359396"	729.232451	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+Hac-H"	59.013851
"1506406"	394.123151	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Hac-H"	59.013851
"969572"	402.089451	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-H+NaCOOH"	66.980151
"117387"	370.078702	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+2Cl"	69.938804
"552573"	537.633352	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+2Cl"	69.938804
"1029026"	202.524052	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2Cl"	69.938804
"1245325"	414.028185	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Br"	78.918885
"1306680"	416.084172	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Cl+HCOOH"	80.974872
"1323081"	438.066129	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Cl+NaCOOH"	102.956829
"911462"	448.094886	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M-H+CF3COOH"	112.985586
"1291940"	484.071564	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Cl+CF3COOH"	148.962264
"1376663"	300.096624	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H-2H2O"	-35.012676
"1390878"	318.1066	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H-H2O"	-17.0027
"286193"	671.225876	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+H"	1.007276
"684080"	1006.335176	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+H"	1.007276
"1356054"	336.116576	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H"	1.007276
"139884"	336.116576	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+2H"	2.014552
"579934"	503.671226	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+2H"	2.014552
"1051164"	168.561926	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2H"	2.014552
"218945"	224.413476	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+3H"	3.021828
"659234"	336.116576	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+3H"	3.021828
"1177362"	112.710376	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+3H"	3.021828
"439299"	688.252423	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+NH4"	18.033823
"800533"	1023.361723	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+NH4"	18.033823
"1696136"	353.143123	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+NH4"	18.033823
"345027"	344.6298495	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+H+NH4"	19.041099
"737200"	512.1844995	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+H+NH4"	19.041099
"1485674"	177.0751995	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H+NH4"	19.041099
"401070"	693.207818	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+Na"	22.989218
"760973"	1028.317118	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+Na"	22.989218
"1609069"	358.098518	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Na"	22.989218
"320205"	347.107547	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+H+Na"	23.996494
"711531"	514.662197	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+H+Na"	23.996494
"1467541"	179.552897	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H+Na"	23.996494
"1064067"	120.03769	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2H+Na"	25.00377
"1270120"	368.142786	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+CH3OH+H"	33.033486
"388698"	709.181758	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+K"	38.963158
"748599"	1044.291058	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+K"	38.963158
"1549557"	374.072458	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+K"	38.963158
"305639"	355.094517	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+H+K"	39.970434
"698062"	522.649167	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+H+K"	39.970434
"1448601"	187.539867	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H+K"	39.970434
"238296"	712.252426	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+ACN+H"	42.033826
"1213190"	377.143126	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+ACN+H"	42.033826
"1199260"	189.075201	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+ACN+2H"	43.041102
"191038"	715.18976	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+2Na-H"	44.97116
"628725"	1050.29906	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+2Na-H"	44.97116
"1131629"	380.08046	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2Na-H"	44.97116
"173257"	358.098518	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+2Na"	45.978436
"613917"	525.653168	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+2Na"	45.978436
"1115793"	190.543868	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2Na"	45.978436
"1398672"	127.365004	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H+2Na"	46.985712
"1429925"	382.122046	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H+HCOOH"	47.012746
"221428"	363.13154	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+3H2O+2H"	56.04448
"1517146"	396.17409	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+IsoProp+H"	61.06479
"416835"	366.085488	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+Na+K"	61.952376
"785006"	533.640138	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+Na+K"	61.952376
"1680480"	198.530838	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Na+K"	61.952376
"266150"	734.234368	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+ACN+Na"	64.015768
"1239831"	399.125068	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+ACN+Na"	64.015768
"1727260"	399.148593	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+NH4+HCOOH"	64.039293
"1188724"	134.692318	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+3Na"	68.967654
"1661901"	404.103988	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Na+HCOOH"	68.994688
"170948"	747.13764	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+2K-H"	76.91904
"608324"	1082.24694	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+2K-H"	76.91904
"1095025"	412.02834	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2K-H"	76.91904
"152935"	374.072458	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"2M+2K"	77.926316
"591401"	541.627108	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"3M+2K"	77.926316
"1070812"	206.517808	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2K"	77.926316
"1101473"	414.042892	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2K+H"	78.933592
"1335912"	414.130507	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+DMSO+H"	79.021207
"1005710"	418.169676	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2ACN+H"	83.060376
"1526705"	419.163308	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+IsoProp+Na+H"	84.054008
"992423"	209.588476	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+2ACN+2H"	84.067652
"1593123"	420.077928	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+K+HCOOH"	84.968628
"1420968"	450.109438	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+H+CF3COOH"	115.000138
"1153444"	230.101751	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+3ACN+2H"	125.094202
"1706282"	467.135985	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+NH4+CF3COOH"	132.026685
"1645213"	472.09138	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+Na+CF3COOH"	136.98208
"1583050"	488.06532	"C21273"	"Benfluralin"	"C13H16F3N3O4"	"335.1093"	"M+K+CF3COOH"	152.95602
"806854"	726.5071	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M"	0
"980385"	707.48871	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-H2O-H"	-19.01839
"66440"	483.330790666667	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M-3H"	-3.021828
"507095"	725.499824	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M-3H"	-3.021828
"888177"	241.161757333333	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-3H"	-3.021828
"11128"	725.499824	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M-2H"	-2.014552
"452880"	1088.753374	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M-2H"	-2.014552
"824123"	362.246274	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-2H"	-2.014552
"82291"	1452.006924	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M-H"	-1.007276
"526954"	2178.514024	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M-H"	-1.007276
"895754"	725.499824	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-H"	-1.007276
"52942"	1469.033471	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M-2H+NH4"	16.019271
"491775"	2195.540571	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M-2H+NH4"	16.019271
"876505"	742.526371	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-2H+NH4"	16.019271
"41131"	1473.988866	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M-2H+Na"	20.974666
"480689"	2200.495966	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M-2H+Na"	20.974666
"862138"	747.481766	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-2H+Na"	20.974666
"1628024"	747.481766	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Na-2H"	20.974666
"104552"	743.488163	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M-H+Cl"	33.962126
"544114"	1106.741713	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M-H+Cl"	33.962126
"938721"	380.234613	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-H+Cl"	33.962126
"270717"	1487.983602	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+Cl"	34.969402
"668605"	2214.490702	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+Cl"	34.969402
"1285383"	761.476502	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Cl"	34.969402
"29034"	1489.962806	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M-2H+K"	36.948606
"464220"	2216.469906	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M-2H+K"	36.948606
"844938"	763.455706	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-2H+K"	36.948606
"1565508"	763.455706	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+K-2H"	36.948606
"951207"	771.505294	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-H+HCOOH"	44.998194
"374891"	1498.012401	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+HCOOH-H"	44.998201
"356588"	1512.028051	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+Hac-H"	59.013851
"1503233"	785.520951	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Hac-H"	59.013851
"960935"	793.487251	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-H+NaCOOH"	66.980151
"115309"	761.476502	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+2Cl"	69.938804
"551590"	1124.730052	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+2Cl"	69.938804
"1022574"	398.222952	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2Cl"	69.938804
"1246528"	805.425985	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Br"	78.918885
"1312256"	807.481972	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Cl+HCOOH"	80.974872
"1321003"	829.463929	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Cl+NaCOOH"	102.956829
"916436"	839.492686	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M-H+CF3COOH"	112.985586
"1288554"	875.469364	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Cl+CF3COOH"	148.962264
"1371303"	691.494424	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H-2H2O"	-35.012676
"1382762"	709.5044	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H-H2O"	-17.0027
"285208"	1454.021476	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+H"	1.007276
"677628"	2180.528576	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+H"	1.007276
"1352883"	727.514376	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H"	1.007276
"134525"	727.514376	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+2H"	2.014552
"579922"	1090.767926	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+2H"	2.014552
"1052005"	364.260826	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2H"	2.014552
"218080"	485.345342666667	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+3H"	3.021828
"656911"	727.514376	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+3H"	3.021828
"1177719"	243.176309333333	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+3H"	3.021828
"439165"	1471.048023	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+NH4"	18.033823
"800524"	2197.555123	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+NH4"	18.033823
"1695885"	744.540923	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+NH4"	18.033823
"344528"	736.0276495	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+H+NH4"	19.041099
"737555"	1099.2811995	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+H+NH4"	19.041099
"1489429"	372.7740995	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H+NH4"	19.041099
"401180"	1476.003418	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+Na"	22.989218
"762177"	2202.510518	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+Na"	22.989218
"1610274"	749.496318	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Na"	22.989218
"320315"	738.505347	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+H+Na"	23.996494
"714920"	1101.758897	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+H+Na"	23.996494
"1467651"	375.251797	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H+Na"	23.996494
"1064177"	250.503623333333	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2H+Na"	25.00377
"1268043"	759.540586	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+CH3OH+H"	33.033486
"389901"	1491.977358	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+K"	38.963158
"750533"	2218.484458	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+K"	38.963158
"1550761"	765.470258	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+K"	38.963158
"307936"	746.492317	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+H+K"	39.970434
"699265"	1109.745867	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+H+K"	39.970434
"1446525"	383.238767	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H+K"	39.970434
"238406"	1495.048026	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+ACN+H"	42.033826
"1215487"	768.540926	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+ACN+H"	42.033826
"1203744"	384.774101	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+ACN+2H"	43.041102
"196614"	1497.98536	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+2Na-H"	44.97116
"632893"	2224.49246	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+2Na-H"	44.97116
"1135306"	771.47826	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2Na-H"	44.97116
"175316"	749.496318	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+2Na"	45.978436
"615969"	1112.749868	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+2Na"	45.978436
"1117531"	386.242768	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2Na"	45.978436
"1399230"	257.830937333333	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H+2Na"	46.985712
"1430742"	773.519846	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H+HCOOH"	47.012746
"222267"	754.52934	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+3H2O+2H"	56.04448
"1516163"	787.57189	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+IsoProp+H"	61.06479
"415852"	757.483288	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+Na+K"	61.952376
"783290"	1120.736838	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+Na+K"	61.952376
"1679497"	394.229738	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Na+K"	61.952376
"261885"	1517.029968	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+ACN+Na"	64.015768
"1239820"	790.522868	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+ACN+Na"	64.015768
"1721294"	790.546393	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+NH4+HCOOH"	64.039293
"1188834"	265.158251333333	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+3Na"	68.967654
"1658731"	795.501788	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Na+HCOOH"	68.994688
"167778"	1529.93324	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+2K-H"	76.91904
"602238"	2256.44034	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+2K-H"	76.91904
"1087114"	803.42614	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2K-H"	76.91904
"144661"	765.470258	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"2M+2K"	77.926316
"591510"	1128.723808	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"3M+2K"	77.926316
"1069586"	402.216708	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2K"	77.926316
"1101947"	805.440692	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2K+H"	78.933592
"1335695"	805.528307	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+DMSO+H"	79.021207
"1005711"	809.567476	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2ACN+H"	83.060376
"1527907"	810.561108	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+IsoProp+Na+H"	84.054008
"991440"	405.287376	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+2ACN+2H"	84.067652
"1592140"	811.475728	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+K+HCOOH"	84.968628
"1418892"	841.507238	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+H+CF3COOH"	115.000138
"1153554"	425.800651	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+3ACN+2H"	125.094202
"1704205"	858.533785	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+NH4+CF3COOH"	132.026685
"1645323"	863.48918	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+Na+CF3COOH"	136.98208
"1583160"	879.46312	"C21275"	"Mycolactone C"	"C44H70O8"	"726.5071"	"M+K+CF3COOH"	152.95602
"810244"	756.5176	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M"	0
"980496"	737.49921	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-H2O-H"	-19.01839
"69831"	503.337790666667	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M-3H"	-3.021828
"512672"	755.510324	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M-3H"	-3.021828
"890474"	251.165257333333	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-3H"	-3.021828
"11240"	755.510324	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M-2H"	-2.014552
"451895"	1133.769124	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M-2H"	-2.014552
"831524"	377.251524	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-2H"	-2.014552
"85318"	1512.027924	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M-H"	-1.007276
"530345"	2268.545524	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M-H"	-1.007276
"897937"	755.510324	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-H"	-1.007276
"58157"	1529.054471	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M-2H+NH4"	16.019271
"497718"	2285.572071	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M-2H+NH4"	16.019271
"879050"	772.536871	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-2H+NH4"	16.019271
"44883"	1534.009866	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M-2H+Na"	20.974666
"484934"	2290.527466	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M-2H+Na"	20.974666
"860426"	777.492266	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-2H+Na"	20.974666
"1632026"	777.492266	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Na-2H"	20.974666
"106121"	773.498663	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M-H+Cl"	33.962126
"548722"	1151.757463	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M-H+Cl"	33.962126
"941264"	395.239863	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-H+Cl"	33.962126
"275201"	1548.004602	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+Cl"	34.969402
"670902"	2304.522202	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+Cl"	34.969402
"1286226"	791.487002	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Cl"	34.969402
"29633"	1549.983806	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M-2H+K"	36.948606
"468705"	2306.501406	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M-2H+K"	36.948606
"845413"	793.466206	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-2H+K"	36.948606
"1567806"	793.466206	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+K-2H"	36.948606
"956785"	801.515794	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-H+HCOOH"	44.998194
"376101"	1558.033401	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+HCOOH-H"	44.998201
"361044"	1572.049051	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+Hac-H"	59.013851
"1508092"	815.531451	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Hac-H"	59.013851
"973441"	823.497751	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-H+NaCOOH"	66.980151
"125023"	791.487002	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+2Cl"	69.938804
"562634"	1169.745802	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+2Cl"	69.938804
"1028154"	413.228202	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2Cl"	69.938804
"1253199"	835.436485	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Br"	78.918885
"1317834"	837.492472	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Cl+HCOOH"	80.974872
"1325489"	859.474429	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Cl+NaCOOH"	102.956829
"923107"	869.503186	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M-H+CF3COOH"	112.985586
"1295441"	905.479864	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Cl+CF3COOH"	148.962264
"1374695"	721.504924	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H-2H2O"	-35.012676
"1394379"	739.5149	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H-H2O"	-17.0027
"289691"	1514.042476	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+H"	1.007276
"677738"	2270.560076	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+H"	1.007276
"1352994"	757.524876	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H"	1.007276
"140716"	757.524876	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+2H"	2.014552
"581013"	1135.783676	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+2H"	2.014552
"1052356"	379.266076	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2H"	2.014552
"219285"	505.352342666667	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+3H"	3.021828
"659579"	757.524876	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+3H"	3.021828
"1177830"	253.179809333333	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+3H"	3.021828
"439646"	1531.069023	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+NH4"	18.033823
"801123"	2287.586623	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+NH4"	18.033823
"1696353"	774.551423	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+NH4"	18.033823
"345243"	766.0381495	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+H+NH4"	19.041099
"737176"	1144.2969495	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+H+NH4"	19.041099
"1488082"	387.7793495	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H+NH4"	19.041099
"407493"	1536.024418	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+Na"	22.989218
"763385"	2292.542018	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+Na"	22.989218
"1608200"	779.506818	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Na"	22.989218
"318239"	768.515847	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+H+Na"	23.996494
"713937"	1146.774647	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+H+Na"	23.996494
"1466668"	390.257047	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H+Na"	23.996494
"1063194"	260.507123333333	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2H+Na"	25.00377
"1268153"	789.551086	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+CH3OH+H"	33.033486
"392320"	1551.998358	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+K"	38.963158
"752828"	2308.515958	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+K"	38.963158
"1551965"	795.480758	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+K"	38.963158
"309141"	776.502817	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+H+K"	39.970434
"698284"	1154.761617	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+H+K"	39.970434
"1451010"	398.244017	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H+K"	39.970434
"241799"	1555.069026	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+ACN+H"	42.033826
"1222889"	798.551426	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+ACN+H"	42.033826
"1202762"	399.779351	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+ACN+2H"	43.041102
"196726"	1558.00636	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+2Na-H"	44.97116
"631911"	2314.52396	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+2Na-H"	44.97116
"1134324"	801.48876	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2Na-H"	44.97116
"176519"	779.506818	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+2Na"	45.978436
"616081"	1157.765618	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+2Na"	45.978436
"1117398"	401.248018	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2Na"	45.978436
"1399341"	267.834437333333	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H+2Na"	46.985712
"1429996"	803.530346	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H+HCOOH"	47.012746
"221284"	784.53984	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+3H2O+2H"	56.04448
"1512995"	817.58239	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+IsoProp+H"	61.06479
"414868"	787.493788	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+Na+K"	61.952376
"781332"	1165.752588	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+Na+K"	61.952376
"1674382"	409.234988	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Na+K"	61.952376
"258715"	1577.050968	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+ACN+Na"	64.015768
"1240172"	820.533368	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+ACN+Na"	64.015768
"1721404"	820.556893	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+NH4+HCOOH"	64.039293
"1188944"	275.161751333333	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+3Na"	68.967654
"1661759"	825.512288	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Na+HCOOH"	68.994688
"169712"	1589.95424	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+2K-H"	76.91904
"605995"	2346.47184	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+2K-H"	76.91904
"1089776"	833.43664	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2K-H"	76.91904
"144771"	795.480758	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"2M+2K"	77.926316
"582872"	1173.739558	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"3M+2K"	77.926316
"1071762"	417.221958	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2K"	77.926316
"1101692"	835.451192	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2K+H"	78.933592
"1336373"	835.538807	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+DMSO+H"	79.021207
"1007094"	839.577976	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2ACN+H"	83.060376
"1526194"	840.571608	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+IsoProp+Na+H"	84.054008
"993372"	420.292626	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+2ACN+2H"	84.067652
"1595528"	841.486228	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+K+HCOOH"	84.968628
"1420095"	871.517738	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+H+CF3COOH"	115.000138
"1153664"	440.805901	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+3ACN+2H"	125.094202
"1709783"	888.544285	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+NH4+CF3COOH"	132.026685
"1645433"	893.49968	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+Na+CF3COOH"	136.98208
"1583270"	909.47362	"C21276"	"Mycolactone D"	"C45H72O9"	"756.5176"	"M+K+CF3COOH"	152.95602
"816514"	714.5071	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M"	0
"983887"	695.48871	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-H2O-H"	-19.01839
"69941"	475.330790666667	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M-3H"	-3.021828
"507314"	713.499824	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M-3H"	-3.021828
"888397"	237.161757333333	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-3H"	-3.021828
"4784"	713.499824	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M-2H"	-2.014552
"445443"	1070.753374	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M-2H"	-2.014552
"824343"	356.246274	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-2H"	-2.014552
"86521"	1428.006924	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M-H"	-1.007276
"527176"	2142.514024	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M-H"	-1.007276
"895889"	713.499824	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-H"	-1.007276
"58267"	1445.033471	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M-2H+NH4"	16.019271
"496735"	2159.540571	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M-2H+NH4"	16.019271
"878551"	730.526371	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-2H+NH4"	16.019271
"44628"	1449.988866	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M-2H+Na"	20.974666
"484921"	2164.495966	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M-2H+Na"	20.974666
"861630"	735.481766	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-2H+Na"	20.974666
"1632619"	735.481766	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Na-2H"	20.974666
"107326"	731.488163	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M-H+Cl"	33.962126
"547618"	1088.741713	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M-H+Cl"	33.962126
"940890"	374.234613	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-H+Cl"	33.962126
"276404"	1463.983602	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+Cl"	34.969402
"671012"	2178.490702	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+Cl"	34.969402
"1286697"	749.476502	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Cl"	34.969402
"29866"	1465.962806	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M-2H+K"	36.948606
"466626"	2180.469906	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M-2H+K"	36.948606
"842241"	751.455706	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-2H+K"	36.948606
"1564635"	751.455706	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+K-2H"	36.948606
"952519"	759.505294	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-H+HCOOH"	44.998194
"375481"	1474.012401	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+HCOOH-H"	44.998201
"360456"	1488.028051	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+Hac-H"	59.013851
"1507104"	773.520951	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Hac-H"	59.013851
"973912"	781.487251	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-H+NaCOOH"	66.980151
"122090"	749.476502	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+2Cl"	69.938804
"559464"	1106.730052	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+2Cl"	69.938804
"1024254"	392.222952	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2Cl"	69.938804
"1252215"	793.425985	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Br"	78.918885
"1312476"	795.481972	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Cl+HCOOH"	80.974872
"1327786"	817.463929	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Cl+NaCOOH"	102.956829
"923216"	827.492686	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M-H+CF3COOH"	112.985586
"1292271"	863.469364	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Cl+CF3COOH"	148.962264
"1369338"	679.494424	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H-2H2O"	-35.012676
"1391209"	697.5044	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H-H2O"	-17.0027
"286521"	1430.021476	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+H"	1.007276
"677848"	2144.528576	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+H"	1.007276
"1356386"	715.514376	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H"	1.007276
"140946"	715.514376	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+2H"	2.014552
"581282"	1072.767926	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+2H"	2.014552
"1052223"	358.260826	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2H"	2.014552
"215385"	477.345342666667	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+3H"	3.021828
"659083"	715.514376	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+3H"	3.021828
"1178421"	239.176309333333	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+3H"	3.021828
"439018"	1447.048023	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+NH4"	18.033823
"801148"	2161.555123	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+NH4"	18.033823
"1696463"	732.540923	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+NH4"	18.033823
"345434"	724.0276495	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+H+NH4"	19.041099
"735466"	1081.2811995	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+H+NH4"	19.041099
"1488192"	366.7740995	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H+NH4"	19.041099
"407603"	1452.003418	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+Na"	22.989218
"762402"	2166.510518	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+Na"	22.989218
"1607217"	737.496318	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Na"	22.989218
"319442"	726.505347	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+H+Na"	23.996494
"715144"	1083.758897	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+H+Na"	23.996494
"1466778"	369.251797	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H+Na"	23.996494
"1062211"	246.503623333333	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2H+Na"	25.00377
"1269356"	747.540586	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+CH3OH+H"	33.033486
"392308"	1467.977358	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+K"	38.963158
"751115"	2182.484458	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+K"	38.963158
"1552075"	753.470258	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+K"	38.963158
"309251"	734.492317	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+H+K"	39.970434
"701674"	1091.745867	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+H+K"	39.970434
"1451120"	377.238767	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H+K"	39.970434
"244096"	1471.048026	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+ACN+H"	42.033826
"1224094"	756.540926	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+ACN+H"	42.033826
"1206152"	378.774101	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+ACN+2H"	43.041102
"195744"	1473.98536	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+2Na-H"	44.97116
"634207"	2188.49246	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+2Na-H"	44.97116
"1134434"	759.47826	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2Na-H"	44.97116
"175536"	737.496318	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+2Na"	45.978436
"616556"	1094.749868	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+2Na"	45.978436
"1117750"	380.242768	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2Na"	45.978436
"1399815"	253.830937333333	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H+2Na"	46.985712
"1431325"	761.519846	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H+HCOOH"	47.012746
"222486"	742.52934	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+3H2O+2H"	56.04448
"1515291"	775.57189	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+IsoProp+H"	61.06479
"414977"	745.483288	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+Na+K"	61.952376
"778161"	1102.736838	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+Na+K"	61.952376
"1673398"	388.229738	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Na+K"	61.952376
"259918"	1493.029968	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+ACN+Na"	64.015768
"1240282"	778.522868	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+ACN+Na"	64.015768
"1722607"	778.546393	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+NH4+HCOOH"	64.039293
"1183586"	261.158251333333	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+3Na"	68.967654
"1660042"	783.501788	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Na+HCOOH"	68.994688
"166903"	1505.93324	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+2K-H"	76.91904
"606469"	2220.44034	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+2K-H"	76.91904
"1095353"	791.42614	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2K-H"	76.91904
"147797"	753.470258	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"2M+2K"	77.926316
"582982"	1110.723808	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"3M+2K"	77.926316
"1075153"	396.216708	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2K"	77.926316
"1100111"	793.440692	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2K+H"	78.933592
"1337093"	793.528307	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+DMSO+H"	79.021207
"1009993"	797.567476	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2ACN+H"	83.060376
"1530313"	798.561108	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+IsoProp+Na+H"	84.054008
"993482"	399.287376	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+2ACN+2H"	84.067652
"1593452"	799.475728	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+K+HCOOH"	84.968628
"1426768"	829.507238	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+H+CF3COOH"	115.000138
"1158148"	419.800651	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+3ACN+2H"	125.094202
"1707706"	846.533785	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+NH4+CF3COOH"	132.026685
"1638982"	851.48918	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+Na+CF3COOH"	136.98208
"1583380"	867.46312	"C21277"	"Mycolactone E"	"C43H70O8"	"714.5071"	"M+K+CF3COOH"	152.95602
"807184"	700.4914	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M"	0
"980715"	681.47301	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-H2O-H"	-19.01839
"63733"	465.986990666667	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M-3H"	-3.021828
"506328"	699.484124	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M-3H"	-3.021828
"885227"	232.489857333333	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-3H"	-3.021828
"3800"	699.484124	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M-2H"	-2.014552
"445553"	1049.729824	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M-2H"	-2.014552
"826641"	349.238424	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-2H"	-2.014552
"87725"	1399.975524	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M-H"	-1.007276
"530565"	2100.466924	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M-H"	-1.007276
"896003"	699.484124	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-H"	-1.007276
"56190"	1417.002071	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M-2H+NH4"	16.019271
"501830"	2117.493471	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M-2H+NH4"	16.019271
"878414"	716.510671	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-2H+NH4"	16.019271
"42548"	1421.957466	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M-2H+Na"	20.974666
"486125"	2122.448866	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M-2H+Na"	20.974666
"863562"	721.466066	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-2H+Na"	20.974666
"1633216"	721.466066	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Na-2H"	20.974666
"109137"	717.472463	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M-H+Cl"	33.962126
"549638"	1067.718163	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M-H+Cl"	33.962126
"941850"	367.226763	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-H+Cl"	33.962126
"281988"	1435.952202	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+Cl"	34.969402
"674403"	2136.443602	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+Cl"	34.969402
"1287177"	735.460802	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Cl"	34.969402
"30705"	1437.931406	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M-2H+K"	36.948606
"471364"	2138.422806	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M-2H+K"	36.948606
"845631"	737.440006	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-2H+K"	36.948606
"1565838"	737.440006	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+K-2H"	36.948606
"955182"	745.489594	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-H+HCOOH"	44.998194
"376198"	1445.981001	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+HCOOH-H"	44.998201
"361140"	1459.996651	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+Hac-H"	59.013851
"1508150"	759.505251	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Hac-H"	59.013851
"973299"	767.471551	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-H+NaCOOH"	66.980151
"125486"	735.460802	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+2Cl"	69.938804
"562854"	1085.706502	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+2Cl"	69.938804
"1026187"	385.215102	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2Cl"	69.938804
"1253419"	779.410285	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Br"	78.918885
"1314773"	781.466272	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Cl+HCOOH"	80.974872
"1325710"	803.448229	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Cl+NaCOOH"	102.956829
"921140"	813.476986	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M-H+CF3COOH"	112.985586
"1289830"	849.453664	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Cl+CF3COOH"	148.962264
"1371636"	665.478724	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H-2H2O"	-35.012676
"1391320"	683.4887	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H-H2O"	-17.0027
"288819"	1401.990076	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+H"	1.007276
"681239"	2102.481476	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+H"	1.007276
"1363057"	701.498676	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H"	1.007276
"141060"	701.498676	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+2H"	2.014552
"580944"	1051.744376	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+2H"	2.014552
"1052050"	351.252976	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2H"	2.014552
"218654"	468.001542666667	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+3H"	3.021828
"659556"	701.498676	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+3H"	3.021828
"1177070"	234.504409333333	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+3H"	3.021828
"439131"	1419.016623	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+NH4"	18.033823
"800854"	2119.508023	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+NH4"	18.033823
"1696093"	718.525223	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+NH4"	18.033823
"345341"	710.0119495	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+H+NH4"	19.041099
"735212"	1060.2576495	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+H+NH4"	19.041099
"1487209"	359.7662495	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H+NH4"	19.041099
"406256"	1423.972018	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+Na"	22.989218
"763605"	2124.463418	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+Na"	22.989218
"1605141"	723.480618	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Na"	22.989218
"319552"	712.489647	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+H+Na"	23.996494
"711974"	1062.735347	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+H+Na"	23.996494
"1466888"	362.243947	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H+Na"	23.996494
"1062321"	241.831723333333	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2H+Na"	25.00377
"1269102"	733.524886	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+CH3OH+H"	33.033486
"392012"	1439.945958	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+K"	38.963158
"749767"	2140.437358	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+K"	38.963158
"1553279"	739.454558	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+K"	38.963158
"311547"	720.476617	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+H+K"	39.970434
"700690"	1070.722317	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+H+K"	39.970434
"1450137"	370.230917	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H+K"	39.970434
"238739"	1443.016626	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+ACN+H"	42.033826
"1224201"	742.525226	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+ACN+H"	42.033826
"1205169"	371.766251	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+ACN+2H"	43.041102
"195854"	1445.95396	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+2Na-H"	44.97116
"631766"	2146.44536	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+2Na-H"	44.97116
"1135637"	745.46256	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2Na-H"	44.97116
"178198"	723.480618	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+2Na"	45.978436
"617759"	1073.726318	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+2Na"	45.978436
"1119077"	373.234918	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2Na"	45.978436
"1399806"	249.159037333333	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H+2Na"	46.985712
"1433259"	747.504146	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H+HCOOH"	47.012746
"221504"	728.51364	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+3H2O+2H"	56.04448
"1511025"	761.55619	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+IsoProp+H"	61.06479
"411806"	731.467588	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+Na+K"	61.952376
"778271"	1081.713288	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+Na+K"	61.952376
"1671322"	381.221888	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Na+K"	61.952376
"254561"	1464.998568	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+ACN+Na"	64.015768
"1229455"	764.507168	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+ACN+Na"	64.015768
"1718341"	764.530693	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+NH4+HCOOH"	64.039293
"1181509"	256.486351333333	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+3Na"	68.967654
"1660152"	769.486088	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Na+HCOOH"	68.994688
"164826"	1477.90184	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+2K-H"	76.91904
"607671"	2178.39324	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+2K-H"	76.91904
"1093276"	777.41044	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2K-H"	76.91904
"147907"	739.454558	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"2M+2K"	77.926316
"582481"	1089.700258	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"3M+2K"	77.926316
"1075263"	389.208858	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2K"	77.926316
"1100446"	779.424992	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2K+H"	78.933592
"1337444"	779.512607	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+DMSO+H"	79.021207
"1009010"	783.551776	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2ACN+H"	83.060376
"1524944"	784.545408	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+IsoProp+Na+H"	84.054008
"993593"	392.279526	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+2ACN+2H"	84.067652
"1593562"	785.460028	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+K+HCOOH"	84.968628
"1427972"	815.491538	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+H+CF3COOH"	115.000138
"1156071"	412.792801	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+3ACN+2H"	125.094202
"1707816"	832.518085	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+NH4+CF3COOH"	132.026685
"1640185"	837.47348	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+Na+CF3COOH"	136.98208
"1583490"	853.44742	"C21278"	"Mycolactone F"	"C42H68O8"	"700.4914"	"M+K+CF3COOH"	152.95602
"807294"	647.2227	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M"	0
"977179"	628.20431	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-H2O-H"	-19.01839
"64694"	430.474524	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M-3H"	-3.021828
"505345"	646.215424	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M-3H"	-3.021828
"885337"	214.733624	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-3H"	-3.021828
"3910"	646.215424	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M-2H"	-2.014552
"443475"	969.826774	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M-2H"	-2.014552
"825656"	322.604074	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-2H"	-2.014552
"84919"	1293.438124	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M-H"	-1.007276
"527394"	1940.660824	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M-H"	-1.007276
"895990"	646.215424	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-H"	-1.007276
"59580"	1310.464671	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M-2H+NH4"	16.019271
"502348"	1957.687371	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M-2H+NH4"	16.019271
"878645"	663.241971	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-2H+NH4"	16.019271
"45575"	1315.420066	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M-2H+Na"	20.974666
"487065"	1962.642766	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M-2H+Na"	20.974666
"863754"	668.197366	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-2H+Na"	20.974666
"1633772"	668.197366	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Na-2H"	20.974666
"109492"	664.203763	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M-H+Cl"	33.962126
"549878"	987.815113	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M-H+Cl"	33.962126
"942718"	340.592413	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-H+Cl"	33.962126
"282098"	1329.414802	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+Cl"	34.969402
"675000"	1976.637502	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+Cl"	34.969402
"1287045"	682.192102	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Cl"	34.969402
"31141"	1331.394006	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M-2H+K"	36.948606
"471299"	1978.616706	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M-2H+K"	36.948606
"845741"	684.171306	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-2H+K"	36.948606
"1565948"	684.171306	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+K-2H"	36.948606
"955656"	692.220894	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-H+HCOOH"	44.998194
"376930"	1339.443601	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+HCOOH-H"	44.998201
"361391"	1353.459251	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+Hac-H"	59.013851
"1508342"	706.236551	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Hac-H"	59.013851
"974017"	714.202851	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-H+NaCOOH"	66.980151
"125232"	682.192102	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+2Cl"	69.938804
"565031"	1005.803452	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+2Cl"	69.938804
"1028484"	358.580752	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2Cl"	69.938804
"1254624"	726.141585	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Br"	78.918885
"1315979"	728.197572	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Cl+HCOOH"	80.974872
"1325820"	750.179529	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Cl+NaCOOH"	102.956829
"923437"	760.208286	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M-H+CF3COOH"	112.985586
"1291033"	796.184964	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Cl+CF3COOH"	148.962264
"1371746"	612.210024	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H-2H2O"	-35.012676
"1391430"	630.22	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H-H2O"	-17.0027
"288929"	1295.452676	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+H"	1.007276
"679163"	1942.675376	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+H"	1.007276
"1363167"	648.229976	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H"	1.007276
"141195"	648.229976	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+2H"	2.014552
"581242"	971.841326	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+2H"	2.014552
"1051348"	324.618626	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2H"	2.014552
"219877"	432.489076	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+3H"	3.021828
"659422"	648.229976	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+3H"	3.021828
"1177910"	216.748176	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+3H"	3.021828
"438629"	1312.479223	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+NH4"	18.033823
"800841"	1959.701923	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+NH4"	18.033823
"1696442"	665.256523	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+NH4"	18.033823
"345326"	656.7432495	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+H+NH4"	19.041099
"735686"	980.3545995	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+H+NH4"	19.041099
"1486226"	333.1318995	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H+NH4"	19.041099
"402715"	1317.434618	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+Na"	22.989218
"768083"	1964.657318	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+Na"	22.989218
"1606344"	670.211918	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Na"	22.989218
"318569"	659.220947	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+H+Na"	23.996494
"710990"	982.832297	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+H+Na"	23.996494
"1466998"	335.609597	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H+Na"	23.996494
"1062431"	224.07549	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2H+Na"	25.00377
"1267755"	680.256186	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+CH3OH+H"	33.033486
"383777"	1333.408558	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+K"	38.963158
"752064"	1980.631258	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+K"	38.963158
"1551929"	686.185858	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+K"	38.963158
"310564"	667.207917	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+H+K"	39.970434
"698613"	990.819267	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+H+K"	39.970434
"1451340"	343.596567	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H+K"	39.970434
"238849"	1336.479226	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+ACN+H"	42.033826
"1221031"	689.256526	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+ACN+H"	42.033826
"1206372"	345.131901	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+ACN+2H"	43.041102
"195964"	1339.41656	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+2Na-H"	44.97116
"630781"	1986.63926	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+2Na-H"	44.97116
"1133923"	692.19386	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2Na-H"	44.97116
"177579"	670.211918	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+2Na"	45.978436
"617868"	993.823268	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+2Na"	45.978436
"1117729"	346.600568	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2Na"	45.978436
"1401253"	231.402804	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H+2Na"	46.985712
"1431546"	694.235446	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H+HCOOH"	47.012746
"220633"	675.24494	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+3H2O+2H"	56.04448
"1511863"	708.28749	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+IsoProp+H"	61.06479
"411916"	678.198888	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+Na+K"	61.952376
"779110"	1001.810238	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+Na+K"	61.952376
"1672525"	354.587538	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Na+K"	61.952376
"256857"	1358.461168	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+ACN+Na"	64.015768
"1228472"	711.238468	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+ACN+Na"	64.015768
"1714441"	711.261993	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+NH4+HCOOH"	64.039293
"1180890"	238.730118	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+3Na"	68.967654
"1656982"	716.217388	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Na+HCOOH"	68.994688
"161656"	1371.36444	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+2K-H"	76.91904
"608510"	2018.58714	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+2K-H"	76.91904
"1090105"	724.14174	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2K-H"	76.91904
"148017"	686.185858	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"2M+2K"	77.926316
"583563"	1009.797208	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"3M+2K"	77.926316
"1075373"	362.574508	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2K"	77.926316
"1100920"	726.156292	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2K+H"	78.933592
"1338405"	726.243907	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+DMSO+H"	79.021207
"1008027"	730.283076	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2ACN+H"	83.060376
"1525175"	731.276708	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+IsoProp+Na+H"	84.054008
"994796"	365.645176	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+2ACN+2H"	84.067652
"1593672"	732.191328	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+K+HCOOH"	84.968628
"1428082"	762.222838	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+H+CF3COOH"	115.000138
"1156181"	386.158451	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+3ACN+2H"	125.094202
"1704646"	779.249385	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+NH4+CF3COOH"	132.026685
"1642482"	784.20478	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+Na+CF3COOH"	136.98208
"1583600"	800.17872	"C21279"	"BGC 945;ONX 0801"	"C32H33N5O10"	"647.2227"	"M+K+CF3COOH"	152.95602
"807404"	467.0933	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M"	0
"976561"	448.07491	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-H2O-H"	-19.01839
"64804"	310.388257333333	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M-3H"	-3.021828
"504362"	466.086024	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M-3H"	-3.021828
"885447"	154.690490666667	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-3H"	-3.021828
"2927"	466.086024	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M-2H"	-2.014552
"442491"	699.632674	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M-2H"	-2.014552
"824672"	232.539374	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-2H"	-2.014552
"85757"	933.179324	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M-H"	-1.007276
"523130"	1400.272624	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M-H"	-1.007276
"895766"	466.086024	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-H"	-1.007276
"55316"	950.205871	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M-2H+NH4"	16.019271
"499252"	1417.299171	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M-2H+NH4"	16.019271
"872679"	483.112571	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-2H+NH4"	16.019271
"33651"	955.161266	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M-2H+Na"	20.974666
"486966"	1422.254566	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M-2H+Na"	20.974666
"864069"	488.067966	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-2H+Na"	20.974666
"1631853"	488.067966	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Na-2H"	20.974666
"109441"	484.074363	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M-H+Cl"	33.962126
"549922"	717.621013	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M-H+Cl"	33.962126
"942707"	250.527713	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-H+Cl"	33.962126
"281961"	969.156002	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+Cl"	34.969402
"670249"	1436.249302	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+Cl"	34.969402
"1287883"	502.062702	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Cl"	34.969402
"30318"	971.135206	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M-2H+K"	36.948606
"471277"	1438.228506	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M-2H+K"	36.948606
"845851"	504.041906	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-2H+K"	36.948606
"1566058"	504.041906	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+K-2H"	36.948606
"955036"	512.091494	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-H+HCOOH"	44.998194
"377057"	979.184801	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+HCOOH-H"	44.998201
"361118"	993.200451	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+Hac-H"	59.013851
"1508292"	526.107151	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Hac-H"	59.013851
"974096"	534.073451	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-H+NaCOOH"	66.980151
"125219"	502.062702	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+2Cl"	69.938804
"565511"	735.609352	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+2Cl"	69.938804
"1028593"	268.516052	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2Cl"	69.938804
"1255100"	546.012185	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Br"	78.918885
"1317182"	548.068172	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Cl+HCOOH"	80.974872
"1325930"	570.050129	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Cl+NaCOOH"	102.956829
"921361"	580.078886	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M-H+CF3COOH"	112.985586
"1289686"	616.055564	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Cl+CF3COOH"	148.962264
"1371856"	432.080624	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H-2H2O"	-35.012676
"1391540"	450.0906	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H-H2O"	-17.0027
"285759"	935.193876	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+H"	1.007276
"679273"	1402.287176	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+H"	1.007276
"1363277"	468.100576	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H"	1.007276
"139450"	468.100576	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+2H"	2.014552
"580836"	701.647226	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+2H"	2.014552
"1049636"	234.553926	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2H"	2.014552
"219483"	312.402809333333	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+3H"	3.021828
"656367"	468.100576	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+3H"	3.021828
"1178415"	156.705042666667	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+3H"	3.021828
"439101"	952.220423	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+NH4"	18.033823
"801075"	1419.313723	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+NH4"	18.033823
"1695092"	485.127123	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+NH4"	18.033823
"344343"	476.6138495	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+H+NH4"	19.041099
"731421"	710.1604995	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+H+NH4"	19.041099
"1481962"	243.0671995	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H+NH4"	19.041099
"399543"	957.175818	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+Na"	22.989218
"763819"	1424.269118	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+Na"	22.989218
"1605361"	490.082518	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Na"	22.989218
"316492"	479.091547	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+H+Na"	23.996494
"710006"	712.638197	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+H+Na"	23.996494
"1463828"	245.544897	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H+Na"	23.996494
"1060354"	164.032356666667	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2H+Na"	25.00377
"1266406"	500.126786	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+CH3OH+H"	33.033486
"382794"	973.149758	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+K"	38.963158
"750351"	1440.243058	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+K"	38.963158
"1549124"	506.056458	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+K"	38.963158
"307393"	487.078517	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+H+K"	39.970434
"698721"	720.625167	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+H+K"	39.970434
"1454728"	253.531867	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H+K"	39.970434
"238957"	976.220426	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+ACN+H"	42.033826
"1213849"	509.127126	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+ACN+H"	42.033826
"1198461"	255.067201	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+ACN+2H"	43.041102
"190358"	979.15776	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+2Na-H"	44.97116
"628780"	1446.25106	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+2Na-H"	44.97116
"1131682"	512.06446	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2Na-H"	44.97116
"173678"	490.082518	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+2Na"	45.978436
"613109"	723.629168	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+2Na"	45.978436
"1115841"	256.535868	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2Na"	45.978436
"1398763"	171.359670666667	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H+2Na"	46.985712
"1430476"	514.106046	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H+HCOOH"	47.012746
"220737"	495.11554	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+3H2O+2H"	56.04448
"1509417"	528.15809	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+IsoProp+H"	61.06479
"410933"	498.069488	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+Na+K"	61.952376
"779584"	731.616138	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+Na+K"	61.952376
"1670448"	264.522838	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Na+K"	61.952376
"256967"	998.202368	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+ACN+Na"	64.015768
"1228945"	531.109068	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+ACN+Na"	64.015768
"1715281"	531.132593	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+NH4+HCOOH"	64.039293
"1181000"	178.686984666667	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+3Na"	68.967654
"1657092"	536.087988	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Na+HCOOH"	68.994688
"161766"	1011.10564	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+2K-H"	76.91904
"607891"	1478.19894	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+2K-H"	76.91904
"1085476"	544.01234	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2K-H"	76.91904
"143261"	506.056458	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"2M+2K"	77.926316
"583184"	739.603108	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"3M+2K"	77.926316
"1075483"	272.509808	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2K"	77.926316
"1100223"	546.026892	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2K+H"	78.933592
"1336814"	546.114507	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+DMSO+H"	79.021207
"1006434"	550.153676	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2ACN+H"	83.060376
"1524270"	551.147308	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+IsoProp+Na+H"	84.054008
"994906"	275.580476	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+2ACN+2H"	84.067652
"1593782"	552.061928	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+K+HCOOH"	84.968628
"1428192"	582.093438	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+H+CF3COOH"	115.000138
"1157384"	296.093751	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+3ACN+2H"	125.094202
"1704756"	599.119985	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+NH4+CF3COOH"	132.026685
"1642592"	604.07538	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+Na+CF3COOH"	136.98208
"1583710"	620.04932	"C21280"	"AG 2034"	"C18H21N5O6S2"	"467.0933"	"M+K+CF3COOH"	152.95602
"807514"	174.0528	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M"	0
"976671"	155.03441	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-H2O-H"	-19.01839
"66007"	115.027924	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M-3H"	-3.021828
"504472"	173.045524	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M-3H"	-3.021828
"885557"	57.010324	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-3H"	-3.021828
"3038"	173.045524	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M-2H"	-2.014552
"443694"	260.071924	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M-2H"	-2.014552
"824781"	86.019124	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-2H"	-2.014552
"83680"	347.098324	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M-H"	-1.007276
"525427"	521.151124	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M-H"	-1.007276
"895771"	173.045524	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-H"	-1.007276
"53238"	364.124871	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M-2H+NH4"	16.019271
"499362"	538.177671	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M-2H+NH4"	16.019271
"871696"	190.072071	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-2H+NH4"	16.019271
"34126"	369.080266	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M-2H+Na"	20.974666
"482443"	543.133066	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M-2H+Na"	20.974666
"861337"	195.027466	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-2H+Na"	20.974666
"1627589"	195.027466	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Na-2H"	20.974666
"104118"	191.033863	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M-H+Cl"	33.962126
"542585"	278.060263	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M-H+Cl"	33.962126
"941205"	104.007463	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-H+Cl"	33.962126
"275751"	383.075002	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+Cl"	34.969402
"665985"	557.127802	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+Cl"	34.969402
"1283857"	209.022202	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Cl"	34.969402
"25319"	385.054206	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M-2H+K"	36.948606
"460505"	559.107006	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M-2H+K"	36.948606
"843774"	211.001406	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-2H+K"	36.948606
"1563981"	211.001406	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+K-2H"	36.948606
"955145"	219.050994	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-H+HCOOH"	44.998194
"377013"	393.103801	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+HCOOH-H"	44.998201
"360536"	407.119451	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+Hac-H"	59.013851
"1507911"	233.066651	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Hac-H"	59.013851
"973265"	241.032951	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-H+NaCOOH"	66.980151
"124355"	209.022202	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+2Cl"	69.938804
"563185"	296.048602	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+2Cl"	69.938804
"1035264"	121.995802	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2Cl"	69.938804
"1254843"	252.971685	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Br"	78.918885
"1315105"	255.027672	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Cl+HCOOH"	80.974872
"1322760"	277.009629	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Cl+NaCOOH"	102.956829
"921470"	287.038386	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M-H+CF3COOH"	112.985586
"1289550"	323.015064	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Cl+CF3COOH"	148.962264
"1368560"	139.040124	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H-2H2O"	-35.012676
"1388369"	157.0501	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H-H2O"	-17.0027
"285869"	349.112876	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+H"	1.007276
"679383"	523.165676	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+H"	1.007276
"1361200"	175.060076	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H"	1.007276
"137373"	175.060076	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+2H"	2.014552
"580459"	262.086476	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+2H"	2.014552
"1050838"	88.033676	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2H"	2.014552
"216918"	117.042476	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+3H"	3.021828
"655383"	175.060076	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+3H"	3.021828
"1178008"	59.024876	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+3H"	3.021828
"437874"	366.139423	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+NH4"	18.033823
"800575"	540.192223	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+NH4"	18.033823
"1696174"	192.086623	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+NH4"	18.033823
"345266"	183.5733495	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+H+NH4"	19.041099
"732624"	270.5997495	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+H+NH4"	19.041099
"1484258"	96.5469495	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H+NH4"	19.041099
"397467"	371.094818	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+Na"	22.989218
"763929"	545.147618	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+Na"	22.989218
"1604377"	197.042018	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Na"	22.989218
"319881"	186.051047	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+H+Na"	23.996494
"710115"	273.077447	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+H+Na"	23.996494
"1464301"	99.024647	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H+Na"	23.996494
"1057183"	66.35219	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2H+Na"	25.00377
"1262142"	207.086286	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+CH3OH+H"	33.033486
"380717"	387.068758	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+K"	38.963158
"740620"	561.121558	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+K"	38.963158
"1548140"	213.015958	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+K"	38.963158
"305317"	194.038017	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+H+K"	39.970434
"695915"	281.064417	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+H+K"	39.970434
"1457390"	107.011617	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H+K"	39.970434
"244533"	390.139426	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+ACN+H"	42.033826
"1213958"	216.086626	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+ACN+H"	42.033826
"1195045"	108.546951	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+ACN+2H"	43.041102
"190712"	393.07676	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+2Na-H"	44.97116
"629053"	567.12956	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+2Na-H"	44.97116
"1131865"	219.02396	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2Na-H"	44.97116
"173498"	197.042018	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+2Na"	45.978436
"613218"	284.068418	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+2Na"	45.978436
"1115993"	110.015618	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2Na"	45.978436
"1400134"	73.679504	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H+2Na"	46.985712
"1430382"	221.065546	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H+HCOOH"	47.012746
"220318"	202.07504	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+3H2O+2H"	56.04448
"1512079"	235.11759	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+IsoProp+H"	61.06479
"412135"	205.028988	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+Na+K"	61.952376
"782973"	292.055388	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+Na+K"	61.952376
"1672744"	118.002588	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Na+K"	61.952376
"259263"	412.121368	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+ACN+Na"	64.015768
"1230877"	238.068568	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+ACN+Na"	64.015768
"1717577"	238.092093	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+NH4+HCOOH"	64.039293
"1188400"	81.006818	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+3Na"	68.967654
"1650882"	243.047488	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Na+HCOOH"	68.994688
"161876"	425.02464	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+2K-H"	76.91904
"603265"	599.07744	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+2K-H"	76.91904
"1086068"	250.97184	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2K-H"	76.91904
"144220"	213.015958	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"2M+2K"	77.926316
"583778"	300.042358	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"3M+2K"	77.926316
"1068659"	125.989558	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2K"	77.926316
"1100771"	252.986392	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2K+H"	78.933592
"1335819"	253.074007	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+DMSO+H"	79.021207
"1006051"	257.113176	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2ACN+H"	83.060376
"1524663"	258.106808	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+IsoProp+Na+H"	84.054008
"991248"	129.060226	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+2ACN+2H"	84.067652
"1591706"	259.021428	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+K+HCOOH"	84.968628
"1420648"	289.052938	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+H+CF3COOH"	115.000138
"1150934"	149.573501	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+3ACN+2H"	125.094202
"1704866"	306.079485	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+NH4+CF3COOH"	132.026685
"1642702"	311.03488	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+Na+CF3COOH"	136.98208
"1583820"	327.00882	"C21281"	"Demethyl-4-deoxygadusol;235-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one"	"C7H10O5"	"174.0528"	"M+K+CF3COOH"	152.95602
"808717"	192.0634	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M"	0
"976781"	173.04501	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H2O-H"	-19.01839
"67210"	127.034990666667	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-3H"	-3.021828
"507862"	191.056124	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-3H"	-3.021828
"890041"	63.0138573333333	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-3H"	-3.021828
"10802"	191.056124	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H"	-2.014552
"441619"	287.087824	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H"	-2.014552
"823799"	95.024424	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H"	-2.014552
"84884"	383.119524	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-H"	-1.007276
"528818"	575.182924	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-H"	-1.007276
"898962"	191.056124	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H"	-1.007276
"52619"	400.146071	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H+NH4"	16.019271
"498379"	592.209471	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H+NH4"	16.019271
"872899"	208.082671	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H+NH4"	16.019271
"35694"	405.101466	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H+Na"	20.974666
"482553"	597.164866	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H+Na"	20.974666
"858167"	213.038066	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H+Na"	20.974666
"1627699"	213.038066	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na-2H"	20.974666
"104228"	209.044463	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-H+Cl"	33.962126
"542695"	305.076163	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-H+Cl"	33.962126
"941437"	113.012763	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+Cl"	33.962126
"275861"	419.096202	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Cl"	34.969402
"666095"	611.159602	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+Cl"	34.969402
"1276310"	227.032802	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl"	34.969402
"16797"	421.075406	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M-2H+K"	36.948606
"459522"	613.138806	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M-2H+K"	36.948606
"835136"	229.012006	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-2H+K"	36.948606
"1561904"	229.012006	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K-2H"	36.948606
"955255"	237.061594	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+HCOOH"	44.998194
"376726"	429.125001	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+HCOOH-H"	44.998201
"361131"	443.140651	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Hac-H"	59.013851
"1508236"	251.077251	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Hac-H"	59.013851
"974078"	259.043551	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+NaCOOH"	66.980151
"124709"	227.032802	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2Cl"	69.938804
"562931"	323.064502	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2Cl"	69.938804
"1032825"	131.001102	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2Cl"	69.938804
"1254226"	270.982285	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Br"	78.918885
"1317765"	273.038272	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl+HCOOH"	80.974872
"1330524"	295.020229	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl+NaCOOH"	102.956829
"918300"	305.048986	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M-H+CF3COOH"	112.985586
"1298288"	341.025664	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Cl+CF3COOH"	148.962264
"1370251"	157.050724	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H-2H2O"	-35.012676
"1388479"	175.0607	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H-H2O"	-17.0027
"287072"	385.134076	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H"	1.007276
"680586"	577.197476	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H"	1.007276
"1362403"	193.070676	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H"	1.007276
"134203"	193.070676	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2H"	2.014552
"579233"	289.102376	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2H"	2.014552
"1049858"	97.038976	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2H"	2.014552
"215569"	129.049542666667	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+3H"	3.021828
"653306"	193.070676	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+3H"	3.021828
"1178121"	65.0284093333333	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+3H"	3.021828
"438716"	402.160623	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+NH4"	18.033823
"800440"	594.224023	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+NH4"	18.033823
"1694947"	210.097223	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+NH4"	18.033823
"345608"	201.5839495	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H+NH4"	19.041099
"732734"	297.6156495	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H+NH4"	19.041099
"1484368"	105.5522495	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+NH4"	19.041099
"399764"	407.116018	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Na"	22.989218
"764039"	599.179418	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+Na"	22.989218
"1603067"	215.052618	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na"	22.989218
"317075"	204.061647	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H+Na"	23.996494
"710225"	300.093347	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H+Na"	23.996494
"1465140"	108.029947	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+Na"	23.996494
"1058386"	72.3557233333333	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2H+Na"	25.00377
"1264438"	225.096886	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+CH3OH+H"	33.033486
"383014"	423.089958	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+K"	38.963158
"745102"	615.153358	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+K"	38.963158
"1549344"	231.026558	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K"	38.963158
"307615"	212.048617	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+H+K"	39.970434
"695662"	308.080317	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+H+K"	39.970434
"1457135"	116.016917	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+K"	39.970434
"244645"	426.160626	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+ACN+H"	42.033826
"1214432"	234.097226	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+ACN+H"	42.033826
"1199045"	117.552251	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+ACN+2H"	43.041102
"196291"	429.09796	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2Na-H"	44.97116
"628718"	621.16136	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2Na-H"	44.97116
"1132186"	237.03456	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2Na-H"	44.97116
"176085"	215.052618	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2Na"	45.978436
"612809"	311.084318	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2Na"	45.978436
"1118059"	119.020918	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2Na"	45.978436
"1407052"	79.6830373333333	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+2Na"	46.985712
"1431024"	239.076146	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+HCOOH"	47.012746
"221081"	220.08564	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+3H2O+2H"	56.04448
"1508902"	253.12819	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+IsoProp+H"	61.06479
"413338"	223.039588	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+Na+K"	61.952376
"775428"	319.071288	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+Na+K"	61.952376
"1672853"	127.007888	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na+K"	61.952376
"259373"	448.142568	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+ACN+Na"	64.015768
"1232081"	256.079168	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+ACN+Na"	64.015768
"1716593"	256.102693	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+NH4+HCOOH"	64.039293
"1188510"	87.0103513333333	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+3Na"	68.967654
"1657313"	261.058088	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na+HCOOH"	68.994688
"165266"	461.04584	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2K-H"	76.91904
"598389"	653.10924	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2K-H"	76.91904
"1086177"	268.98244	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2K-H"	76.91904
"143601"	231.026558	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"2M+2K"	77.926316
"586809"	327.058258	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"3M+2K"	77.926316
"1068933"	134.994858	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2K"	77.926316
"1100521"	270.996992	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2K+H"	78.933592
"1336294"	271.084607	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+DMSO+H"	79.021207
"1006525"	275.123776	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2ACN+H"	83.060376
"1525018"	276.117408	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+IsoProp+Na+H"	84.054008
"992937"	138.065526	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+2ACN+2H"	84.067652
"1590721"	277.032028	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K+HCOOH"	84.968628
"1420755"	307.063538	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+H+CF3COOH"	115.000138
"1151044"	158.578801	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+3ACN+2H"	125.094202
"1708256"	324.090085	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+NH4+CF3COOH"	132.026685
"1642812"	329.04548	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+Na+CF3COOH"	136.98208
"1583930"	345.01942	"C21282"	"2-epi-Valiolone;(2S3S4S5S)-2345-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one"	"C7H12O6"	"192.0634"	"M+K+CF3COOH"	152.95602
"807734"	187.0633	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M"	0
"976526"	168.04491	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-H2O-H"	-19.01839
"65498"	123.701590666667	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M-3H"	-3.021828
"507973"	186.056024	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M-3H"	-3.021828
"890151"	61.3471573333333	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-3H"	-3.021828
"10912"	186.056024	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M-2H"	-2.014552
"443915"	279.587674	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M-2H"	-2.014552
"821723"	92.524374	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-2H"	-2.014552
"83900"	373.119324	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M-H"	-1.007276
"526741"	560.182624	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M-H"	-1.007276
"900166"	186.056024	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-H"	-1.007276
"54551"	390.145871	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M-2H+NH4"	16.019271
"499582"	577.209171	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M-2H+NH4"	16.019271
"876288"	203.082571	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-2H+NH4"	16.019271
"36897"	395.101266	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M-2H+Na"	20.974666
"483756"	582.164566	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M-2H+Na"	20.974666
"857183"	208.037966	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-2H+Na"	20.974666
"1629995"	208.037966	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Na-2H"	20.974666
"104338"	204.044363	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M-H+Cl"	33.962126
"543898"	297.576013	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M-H+Cl"	33.962126
"940696"	110.512713	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-H+Cl"	33.962126
"272691"	409.096002	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+Cl"	34.969402
"662925"	596.159302	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+Cl"	34.969402
"1275327"	222.032702	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Cl"	34.969402
"17270"	411.075206	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M-2H+K"	36.948606
"457196"	598.138506	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M-2H+K"	36.948606
"838525"	224.011906	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-2H+K"	36.948606
"1556056"	224.011906	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+K-2H"	36.948606
"943819"	232.061494	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-H+HCOOH"	44.998194
"376466"	419.124801	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+HCOOH-H"	44.998201
"360636"	433.140451	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+Hac-H"	59.013851
"1507394"	246.077151	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Hac-H"	59.013851
"973484"	254.043451	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-H+NaCOOH"	66.980151
"124704"	222.032702	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+2Cl"	69.938804
"564742"	315.564352	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+2Cl"	69.938804
"1033297"	128.501052	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2Cl"	69.938804
"1254697"	265.982185	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Br"	78.918885
"1319742"	268.038172	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Cl+HCOOH"	80.974872
"1328446"	290.020129	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Cl+NaCOOH"	102.956829
"915130"	300.048886	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M-H+CF3COOH"	112.985586
"1298398"	336.025564	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Cl+CF3COOH"	148.962264
"1373278"	152.050624	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H-2H2O"	-35.012676
"1388589"	170.0606	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H-H2O"	-17.0027
"287182"	375.133876	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+H"	1.007276
"680696"	562.197176	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+H"	1.007276
"1362513"	188.070576	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H"	1.007276
"135406"	188.070576	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+2H"	2.014552
"578248"	281.602226	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+2H"	2.014552
"1052358"	94.538926	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2H"	2.014552
"218840"	125.716142666667	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+3H"	3.021828
"656699"	188.070576	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+3H"	3.021828
"1178385"	63.3617093333333	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+3H"	3.021828
"439890"	392.160423	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+NH4"	18.033823
"800550"	579.223723	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+NH4"	18.033823
"1694328"	205.097123	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+NH4"	18.033823
"344674"	196.5838495	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+H+NH4"	19.041099
"729561"	290.1154995	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+H+NH4"	19.041099
"1485571"	103.0521995	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H+NH4"	19.041099
"400967"	397.115818	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+Na"	22.989218
"764148"	584.179118	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+Na"	22.989218
"1607873"	210.052518	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Na"	22.989218
"322284"	199.061547	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+H+Na"	23.996494
"711428"	292.593197	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+H+Na"	23.996494
"1466344"	105.529897	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H+Na"	23.996494
"1058494"	70.6890233333333	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2H+Na"	25.00377
"1265639"	220.096786	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+CH3OH+H"	33.033486
"386401"	413.089758	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+K"	38.963158
"743026"	600.153058	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+K"	38.963158
"1546173"	226.026458	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+K"	38.963158
"308818"	207.048517	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+H+K"	39.970434
"699051"	300.580167	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+H+K"	39.970434
"1457245"	113.516867	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H+K"	39.970434
"248763"	416.160426	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+ACN+H"	42.033826
"1213449"	229.097126	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+ACN+H"	42.033826
"1198062"	115.052201	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+ACN+2H"	43.041102
"195307"	419.09776	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+2Na-H"	44.97116
"628590"	606.16106	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+2Na-H"	44.97116
"1132784"	232.03446	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2Na-H"	44.97116
"174613"	210.052518	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+2Na"	45.978436
"613080"	303.584168	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+2Na"	45.978436
"1116952"	116.520868	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2Na"	45.978436
"1406069"	78.0163373333333	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H+2Na"	46.985712
"1431254"	234.076046	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H+HCOOH"	47.012746
"220828"	215.08554	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+3H2O+2H"	56.04448
"1508891"	248.12809	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+IsoProp+H"	61.06479
"411261"	218.039488	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+Na+K"	61.952376
"774809"	311.571138	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+Na+K"	61.952376
"1672963"	124.507838	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Na+K"	61.952376
"256567"	438.142368	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+ACN+Na"	64.015768
"1236568"	251.079068	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+ACN+Na"	64.015768
"1719255"	251.102593	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+NH4+HCOOH"	64.039293
"1187527"	85.3436513333333	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+3Na"	68.967654
"1657422"	256.057988	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Na+HCOOH"	68.994688
"167564"	451.04564	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+2K-H"	76.91904
"599470"	638.10894	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+2K-H"	76.91904
"1085801"	263.98234	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2K-H"	76.91904
"144441"	226.026458	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"2M+2K"	77.926316
"586190"	319.558108	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"3M+2K"	77.926316
"1069605"	132.494808	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2K"	77.926316
"1100991"	265.996892	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2K+H"	78.933592
"1337135"	266.084507	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+DMSO+H"	79.021207
"1007613"	270.123676	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2ACN+H"	83.060376
"1524886"	271.117308	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+IsoProp+Na+H"	84.054008
"993047"	135.565476	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+2ACN+2H"	84.067652
"1590100"	272.031928	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+K+HCOOH"	84.968628
"1417218"	302.063438	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+H+CF3COOH"	115.000138
"1149330"	156.078751	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+3ACN+2H"	125.094202
"1707273"	319.089985	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+NH4+CF3COOH"	132.026685
"1644015"	324.04538	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+Na+CF3COOH"	136.98208
"1584040"	340.01932	"C21283"	"3-Indoleacrylate;(2E)-3-(1H-Indol-3-yl)prop-2-enoate"	"C11H9NO2"	"187.0633"	"M+K+CF3COOH"	152.95602
"807844"	708.1883	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M"	0
"979188"	689.16991	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-H2O-H"	-19.01839
"67431"	471.118257333333	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M-3H"	-3.021828
"508083"	707.181024	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M-3H"	-3.021828
"886983"	235.055490666667	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-3H"	-3.021828
"12119"	707.181024	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M-2H"	-2.014552
"445119"	1061.275174	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M-2H"	-2.014552
"822925"	353.086874	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-2H"	-2.014552
"85103"	1415.369324	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M-H"	-1.007276
"529038"	2123.557624	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M-H"	-1.007276
"899181"	707.181024	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-H"	-1.007276
"54661"	1432.395871	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M-2H+NH4"	16.019271
"502369"	2140.584171	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M-2H+NH4"	16.019271
"876034"	724.207571	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-2H+NH4"	16.019271
"36643"	1437.351266	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M-2H+Na"	20.974666
"484959"	2145.539566	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M-2H+Na"	20.974666
"858386"	729.162966	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-2H+Na"	20.974666
"1630105"	729.162966	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Na-2H"	20.974666
"106634"	725.169363	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M-H+Cl"	33.962126
"544008"	1079.263513	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M-H+Cl"	33.962126
"941657"	371.075213	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-H+Cl"	33.962126
"276081"	1451.346002	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+Cl"	34.969402
"663035"	2159.534302	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+Cl"	34.969402
"1276530"	743.157702	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Cl"	34.969402
"17262"	1453.325206	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M-2H+K"	36.948606
"456942"	2161.513506	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M-2H+K"	36.948606
"839728"	745.136906	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-2H+K"	36.948606
"1556046"	745.136906	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+K-2H"	36.948606
"943929"	753.186494	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-H+HCOOH"	44.998194
"373692"	1461.374801	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+HCOOH-H"	44.998201
"361192"	1475.390451	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+Hac-H"	59.013851
"1507504"	767.202151	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Hac-H"	59.013851
"972132"	775.168451	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-H+NaCOOH"	66.980151
"125414"	743.157702	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+2Cl"	69.938804
"563513"	1097.251852	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+2Cl"	69.938804
"1030126"	389.063552	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2Cl"	69.938804
"1253714"	787.107185	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Br"	78.918885
"1317619"	789.163172	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Cl+HCOOH"	80.974872
"1324182"	811.145129	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Cl+NaCOOH"	102.956829
"921799"	821.173886	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M-H+CF3COOH"	112.985586
"1300695"	857.150564	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Cl+CF3COOH"	148.962264
"1373388"	673.175624	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H-2H2O"	-35.012676
"1387604"	691.1856	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H-H2O"	-17.0027
"285104"	1417.383876	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+H"	1.007276
"681898"	2125.572176	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+H"	1.007276
"1356061"	709.195576	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H"	1.007276
"134422"	709.195576	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+2H"	2.014552
"578356"	1063.289726	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+2H"	2.014552
"1044969"	355.101426	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2H"	2.014552
"215056"	473.132809333333	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+3H"	3.021828
"657904"	709.195576	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+3H"	3.021828
"1174932"	237.070042666667	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+3H"	3.021828
"438573"	1434.410423	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+NH4"	18.033823
"799809"	2142.598723	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+NH4"	18.033823
"1687510"	726.222123	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+NH4"	18.033823
"343811"	717.7088495	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+H+NH4"	19.041099
"731856"	1071.8029995	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+H+NH4"	19.041099
"1483488"	363.6146995	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H+NH4"	19.041099
"396704"	1439.365818	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+Na"	22.989218
"756238"	2147.554118	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+Na"	22.989218
"1605795"	731.177518	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Na"	22.989218
"315833"	720.186547	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+H+Na"	23.996494
"709351"	1074.280697	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+H+Na"	23.996494
"1468640"	366.092397	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H+Na"	23.996494
"1058603"	244.397356666667	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2H+Na"	25.00377
"1265748"	741.221786	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+CH3OH+H"	33.033486
"383230"	1455.339758	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+K"	38.963158
"746415"	2163.528058	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+K"	38.963158
"1546282"	747.151458	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+K"	38.963158
"307833"	728.173517	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+H+K"	39.970434
"699161"	1082.267667	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+H+K"	39.970434
"1450795"	374.079367	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H+K"	39.970434
"244862"	1458.410426	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+ACN+H"	42.033826
"1213559"	750.222126	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+ACN+H"	42.033826
"1198172"	375.614701	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+ACN+2H"	43.041102
"196514"	1461.34776	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+2Na-H"	44.97116
"628561"	2169.53606	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+2Na-H"	44.97116
"1136662"	753.15946	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2Na-H"	44.97116
"174485"	731.177518	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+2Na"	45.978436
"613919"	1085.271668	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+2Na"	45.978436
"1118644"	377.083368	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2Na"	45.978436
"1402897"	251.724670666667	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H+2Na"	46.985712
"1430759"	755.201046	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H+HCOOH"	47.012746
"220613"	736.21054	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+3H2O+2H"	56.04448
"1508674"	769.25309	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+IsoProp+H"	61.06479
"408820"	739.164488	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+Na+K"	61.952376
"772003"	1093.258638	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+Na+K"	61.952376
"1673073"	385.070338	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Na+K"	61.952376
"260689"	1480.392368	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+ACN+Na"	64.015768
"1237771"	772.204068	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+ACN+Na"	64.015768
"1722282"	772.227593	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+NH4+HCOOH"	64.039293
"1187637"	259.051984666667	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+3Na"	68.967654
"1658627"	777.182988	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Na+HCOOH"	68.994688
"167313"	1493.29564	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+2K-H"	76.91904
"599215"	2201.48394	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+2K-H"	76.91904
"1086277"	785.10734	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2K-H"	76.91904
"142242"	747.151458	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"2M+2K"	77.926316
"585936"	1101.245608	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"3M+2K"	77.926316
"1068665"	393.057308	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2K"	77.926316
"1100089"	787.121892	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2K+H"	78.933592
"1335786"	787.209507	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+DMSO+H"	79.021207
"1006017"	791.248676	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2ACN+H"	83.060376
"1524512"	792.242308	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+IsoProp+Na+H"	84.054008
"994250"	396.127976	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+2ACN+2H"	84.067652
"1589117"	793.156928	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+K+HCOOH"	84.968628
"1415140"	823.188438	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+H+CF3COOH"	115.000138
"1150169"	416.641251	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+3ACN+2H"	125.094202
"1707383"	840.214985	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+NH4+CF3COOH"	132.026685
"1644125"	845.17038	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+Na+CF3COOH"	136.98208
"1584150"	861.14432	"C21284"	"Fe-coproporphyrin III;Coproheme III"	"C36H36FeN4O8"	"708.1883"	"M+K+CF3COOH"	152.95602
"807954"	200.0086	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M"	0
"976018"	180.99021	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H2O-H"	-19.01839
"70821"	132.331790666667	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-3H"	-3.021828
"510381"	199.001324	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-3H"	-3.021828
"887090"	65.6622573333333	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-3H"	-3.021828
"13323"	199.001324	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H"	-2.014552
"446324"	299.005624	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H"	-2.014552
"820850"	98.997024	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H"	-2.014552
"88495"	399.009924	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-H"	-1.007276
"521857"	599.018524	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-H"	-1.007276
"901480"	199.001324	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H"	-1.007276
"54771"	416.036471	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+NH4"	16.019271
"501383"	616.045071	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+NH4"	16.019271
"877482"	216.027871	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+NH4"	16.019271
"38211"	420.991866	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+Na"	20.974666
"482883"	621.000466	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+Na"	20.974666
"855217"	220.983266	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+Na"	20.974666
"1629121"	220.983266	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na-2H"	20.974666
"102370"	216.989663	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-H+Cl"	33.962126
"540839"	316.993963	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-H+Cl"	33.962126
"940916"	116.985363	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+Cl"	33.962126
"275098"	434.986602	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Cl"	34.969402
"663145"	634.995202	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+Cl"	34.969402
"1282107"	234.978002	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl"	34.969402
"19196"	436.965806	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+K"	36.948606
"459850"	636.974406	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+K"	36.948606
"835465"	236.957206	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+K"	36.948606
"1564421"	236.957206	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K-2H"	36.948606
"946836"	245.006794	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+HCOOH"	44.998194
"373438"	445.015401	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+HCOOH-H"	44.998201
"360938"	459.031051	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Hac-H"	59.013851
"1507980"	259.022451	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Hac-H"	59.013851
"972242"	266.988751	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+NaCOOH"	66.980151
"124916"	234.978002	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Cl"	69.938804
"557064"	334.982302	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Cl"	69.938804
"1023676"	134.973702	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2Cl"	69.938804
"1242162"	278.927485	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Br"	78.918885
"1307889"	280.983472	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+HCOOH"	80.974872
"1326480"	302.965429	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+NaCOOH"	102.956829
"918630"	312.994186	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M-H+CF3COOH"	112.985586
"1299712"	348.970864	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+CF3COOH"	148.962264
"1370219"	164.995924	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H-2H2O"	-35.012676
"1388809"	183.0059	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H-H2O"	-17.0027
"285579"	401.024476	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H"	1.007276
"679824"	601.033076	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H"	1.007276
"1356172"	201.015876	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H"	1.007276
"134532"	201.015876	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2H"	2.014552
"575186"	301.020176	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2H"	2.014552
"1043985"	101.011576	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2H"	2.014552
"212979"	134.346342666667	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H"	3.021828
"655820"	201.015876	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+3H"	3.021828
"1176869"	67.6768093333333	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+3H"	3.021828
"436852"	418.051023	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+NH4"	18.033823
"799672"	618.059623	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+NH4"	18.033823
"1689077"	218.042423	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4"	18.033823
"341731"	209.5291495	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+NH4"	19.041099
"735245"	309.5334495	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+NH4"	19.041099
"1484691"	109.5248495	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+NH4"	19.041099
"393894"	423.006418	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na"	22.989218
"757806"	623.015018	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na"	22.989218
"1605539"	222.997818	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na"	22.989218
"318130"	212.006847	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+Na"	23.996494
"707637"	312.011147	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+Na"	23.996494
"1465470"	112.002547	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+Na"	23.996494
"1054339"	75.0041233333333	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2H+Na"	25.00377
"1260392"	233.042086	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+CH3OH+H"	33.033486
"383342"	438.980358	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+K"	38.963158
"745434"	638.988958	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+K"	38.963158
"1543477"	238.971758	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K"	38.963158
"303569"	219.993817	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+K"	39.970434
"699271"	319.998117	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+K"	39.970434
"1450905"	119.989517	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+K"	39.970434
"241694"	442.051026	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+H"	42.033826
"1215494"	242.042426	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+H"	42.033826
"1201564"	121.524851	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+2H"	43.041102
"196624"	444.98836	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na-H"	44.97116
"628888"	644.99696	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na-H"	44.97116
"1132639"	244.97976	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na-H"	44.97116
"173617"	222.997818	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na"	45.978436
"614154"	323.002118	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na"	45.978436
"1118026"	122.993518	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na"	45.978436
"1399725"	82.3314373333333	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+2Na"	46.985712
"1429974"	247.021346	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+HCOOH"	47.012746
"220074"	228.03084	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H2O+2H"	56.04448
"1511061"	261.07339	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+H"	61.06479
"408920"	230.984788	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na+K"	61.952376
"771378"	330.989088	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na+K"	61.952376
"1667715"	130.980488	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+K"	61.952376
"257883"	464.032968	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+Na"	64.015768
"1231683"	264.024368	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+Na"	64.015768
"1723490"	264.047893	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+HCOOH"	64.039293
"1188478"	89.6587513333333	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+3Na"	68.967654
"1655455"	269.003288	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+HCOOH"	68.994688
"164505"	476.93624	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K-H"	76.91904
"597211"	676.94484	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K-H"	76.91904
"1086022"	276.92764	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2K-H"	76.91904
"143203"	238.971758	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K"	77.926316
"581788"	338.976058	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K"	77.926316
"1068849"	138.967458	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2K"	77.926316
"1100965"	278.942192	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2K+H"	78.933592
"1335772"	279.029807	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+DMSO+H"	79.021207
"1006242"	283.068976	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+H"	83.060376
"1524367"	284.062608	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+Na+H"	84.054008
"993259"	142.038126	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+2H"	84.067652
"1587144"	284.977228	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K+HCOOH"	84.968628
"1415250"	315.008738	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+H+CF3COOH"	115.000138
"1149550"	162.551401	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+3ACN+2H"	125.094202
"1708586"	332.035285	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+CF3COOH"	132.026685
"1644235"	336.99068	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+CF3COOH"	136.98208
"1584260"	352.96462	"C21285"	"D-Erythrulose 1-phosphate"	"C4H9O7P"	"200.0086"	"M+K+CF3COOH"	152.95602
"816965"	200.0086	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M"	0
"984877"	180.99021	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H2O-H"	-19.01839
"76398"	132.331790666667	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-3H"	-3.021828
"517053"	199.001324	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-3H"	-3.021828
"893762"	65.6622573333333	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-3H"	-3.021828
"11246"	199.001324	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H"	-2.014552
"449713"	299.005624	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H"	-2.014552
"825333"	98.997024	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H"	-2.014552
"90791"	399.009924	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H"	-1.007276
"523792"	599.018524	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H"	-1.007276
"901593"	199.001324	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H"	-1.007276
"53787"	416.036471	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+NH4"	16.019271
"501250"	616.045071	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+NH4"	16.019271
"876984"	216.027871	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+NH4"	16.019271
"37957"	420.991866	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+Na"	20.974666
"482993"	621.000466	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+Na"	20.974666
"861887"	220.983266	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+Na"	20.974666
"1628138"	220.983266	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na-2H"	20.974666
"101386"	216.989663	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-H+Cl"	33.962126
"539856"	316.993963	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-H+Cl"	33.962126
"941026"	116.985363	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+Cl"	33.962126
"274115"	434.986602	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Cl"	34.969402
"662525"	634.995202	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Cl"	34.969402
"1278937"	234.978002	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl"	34.969402
"19306"	436.965806	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M-2H+K"	36.948606
"459960"	636.974406	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M-2H+K"	36.948606
"836667"	236.957206	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-2H+K"	36.948606
"1564531"	236.957206	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K-2H"	36.948606
"948039"	245.006794	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+HCOOH"	44.998194
"375737"	445.015401	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+HCOOH-H"	44.998201
"361185"	459.031051	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Hac-H"	59.013851
"1508175"	259.022451	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Hac-H"	59.013851
"974126"	266.988751	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+NaCOOH"	66.980151
"124541"	234.978002	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Cl"	69.938804
"558267"	334.982302	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Cl"	69.938804
"1029253"	134.973702	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Cl"	69.938804
"1242272"	278.927485	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Br"	78.918885
"1305812"	280.983472	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+HCOOH"	80.974872
"1326590"	302.965429	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+NaCOOH"	102.956829
"922020"	312.994186	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M-H+CF3COOH"	112.985586
"1292168"	348.970864	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Cl+CF3COOH"	148.962264
"1372515"	164.995924	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-2H2O"	-35.012676
"1388920"	183.0059	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H-H2O"	-17.0027
"285689"	401.024476	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H"	1.007276
"682120"	601.033076	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H"	1.007276
"1361749"	201.015876	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H"	1.007276
"134642"	201.015876	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2H"	2.014552
"580765"	301.020176	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2H"	2.014552
"1045189"	101.011576	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H"	2.014552
"214182"	134.346342666667	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H"	3.021828
"658123"	201.015876	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+3H"	3.021828
"1175153"	67.6768093333333	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3H"	3.021828
"439274"	418.051023	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+NH4"	18.033823
"800886"	618.059623	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+NH4"	18.033823
"1690282"	218.042423	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4"	18.033823
"338559"	209.5291495	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+NH4"	19.041099
"729890"	309.5334495	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+NH4"	19.041099
"1485897"	109.5248495	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+NH4"	19.041099
"394735"	423.006418	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na"	22.989218
"756095"	623.015018	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na"	22.989218
"1604922"	222.997818	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na"	22.989218
"318241"	212.006847	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+Na"	23.996494
"713943"	312.011147	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+Na"	23.996494
"1464484"	112.002547	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+Na"	23.996494
"1059914"	75.0041233333333	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2H+Na"	25.00377
"1264875"	233.042086	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+CH3OH+H"	33.033486
"385640"	438.980358	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+K"	38.963158
"747729"	638.988958	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+K"	38.963158
"1548690"	238.971758	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K"	38.963158
"306961"	219.993817	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+H+K"	39.970434
"698290"	319.998117	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+H+K"	39.970434
"1452110"	119.989517	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+K"	39.970434
"242899"	442.051026	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+H"	42.033826
"1217794"	242.042426	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+H"	42.033826
"1197668"	121.524851	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+2H"	43.041102
"192363"	444.98836	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na-H"	44.97116
"629484"	644.99696	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na-H"	44.97116
"1132509"	244.97976	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na-H"	44.97116
"173730"	222.997818	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2Na"	45.978436
"612920"	323.002118	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2Na"	45.978436
"1116061"	122.993518	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2Na"	45.978436
"1398486"	82.3314373333333	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+2Na"	46.985712
"1431226"	247.021346	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+HCOOH"	47.012746
"222379"	228.03084	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+3H2O+2H"	56.04448
"1509713"	261.07339	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+H"	61.06479
"408662"	230.984788	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+Na+K"	61.952376
"770395"	330.989088	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+Na+K"	61.952376
"1667094"	130.980488	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+K"	61.952376
"254709"	464.032968	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+ACN+Na"	64.015768
"1231793"	264.024368	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+ACN+Na"	64.015768
"1719586"	264.047893	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+HCOOH"	64.039293
"1188221"	89.6587513333333	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3Na"	68.967654
"1661036"	269.003288	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+HCOOH"	68.994688
"164616"	476.93624	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K-H"	76.91904
"601257"	676.94484	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K-H"	76.91904
"1085403"	276.92764	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K-H"	76.91904
"141569"	238.971758	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"2M+2K"	77.926316
"582510"	338.976058	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"3M+2K"	77.926316
"1068525"	138.967458	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K"	77.926316
"1099977"	278.942192	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2K+H"	78.933592
"1336251"	279.029807	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+DMSO+H"	79.021207
"1005653"	283.068976	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+H"	83.060376
"1524604"	284.062608	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+IsoProp+Na+H"	84.054008
"989991"	142.038126	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+2ACN+2H"	84.067652
"1587019"	284.977228	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+HCOOH"	84.968628
"1419008"	315.008738	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+H+CF3COOH"	115.000138
"1149296"	162.551401	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+3ACN+2H"	125.094202
"1706508"	332.035285	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+NH4+CF3COOH"	132.026685
"1643252"	336.99068	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+Na+CF3COOH"	136.98208
"1584370"	352.96462	"C21286"	"L-Erythrulose 4-phosphate"	"C4H9O7P"	"200.0086"	"M+K+CF3COOH"	152.95602
"811454"	853.152	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M"	0
"975509"	834.13361	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H2O-H"	-19.01839
"69948"	567.760724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-3H"	-3.021828
"512790"	852.144724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-3H"	-3.021828
"890593"	283.376724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-3H"	-3.021828
"10263"	852.144724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H"	-2.014552
"449823"	1278.720724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H"	-2.014552
"826534"	425.568724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H"	-2.014552
"90899"	1705.296724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H"	-1.007276
"530462"	2558.448724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H"	-1.007276
"900972"	852.144724	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H"	-1.007276
"53897"	1722.323271	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+NH4"	16.019271
"501728"	2575.475271	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+NH4"	16.019271
"870168"	869.171271	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+NH4"	16.019271
"35880"	1727.278666	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+Na"	20.974666
"485413"	2580.430666	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+Na"	20.974666
"859810"	874.126666	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+Na"	20.974666
"1626062"	874.126666	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na-2H"	20.974666
"99310"	870.133063	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-H+Cl"	33.962126
"539966"	1296.709063	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-H+Cl"	33.962126
"934571"	443.557063	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+Cl"	33.962126
"274225"	1741.273402	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Cl"	34.969402
"665552"	2594.425402	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Cl"	34.969402
"1279047"	888.121402	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl"	34.969402
"20509"	1743.252606	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M-2H+K"	36.948606
"460070"	2596.404606	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M-2H+K"	36.948606
"835684"	890.100606	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-2H+K"	36.948606
"1563548"	890.100606	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K-2H"	36.948606
"949242"	898.150194	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+HCOOH"	44.998194
"374753"	1751.302201	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+HCOOH-H"	44.998201
"360714"	1765.317851	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Hac-H"	59.013851
"1507106"	912.165851	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Hac-H"	59.013851
"973198"	920.132151	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+NaCOOH"	66.980151
"125259"	888.121402	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Cl"	69.938804
"559471"	1314.697402	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Cl"	69.938804
"1035926"	461.545402	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Cl"	69.938804
"1247849"	932.070885	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Br"	78.918885
"1310296"	934.126872	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+HCOOH"	80.974872
"1329980"	956.108829	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+NaCOOH"	102.956829
"924318"	966.137586	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M-H+CF3COOH"	112.985586
"1295558"	1002.114264	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Cl+CF3COOH"	148.962264
"1372628"	818.139324	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-2H2O"	-35.012676
"1386114"	836.1493	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H-H2O"	-17.0027
"285434"	1707.311276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H"	1.007276
"681137"	2560.463276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H"	1.007276
"1359673"	854.159276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H"	1.007276
"133659"	854.159276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2H"	2.014552
"580395"	1280.735276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2H"	2.014552
"1045299"	427.583276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H"	2.014552
"218546"	569.775276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H"	3.021828
"658960"	854.159276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+3H"	3.021828
"1177449"	285.391276	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3H"	3.021828
"439821"	1724.337823	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+NH4"	18.033823
"799528"	2577.489823	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+NH4"	18.033823
"1690393"	871.185823	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4"	18.033823
"337579"	862.6725495	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+NH4"	19.041099
"729999"	1289.2485495	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+NH4"	19.041099
"1484911"	436.0965495	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+NH4"	19.041099
"395210"	1729.293218	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na"	22.989218
"755841"	2582.445218	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na"	22.989218
"1607220"	876.141218	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na"	22.989218
"319445"	865.150247	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+Na"	23.996494
"712960"	1291.726247	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+Na"	23.996494
"1465687"	438.574247	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+Na"	23.996494
"1060024"	292.71859	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2H+Na"	25.00377
"1263893"	886.185486	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+CH3OH+H"	33.033486
"386844"	1745.267158	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+K"	38.963158
"743467"	2598.419158	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+K"	38.963158
"1547707"	892.115158	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K"	38.963158
"305978"	873.137217	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+H+K"	39.970434
"698399"	1299.713217	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+H+K"	39.970434
"1452220"	446.561217	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+K"	39.970434
"243009"	1748.337826	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+H"	42.033826
"1220089"	895.185826	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+H"	42.033826
"1202882"	448.096551	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+2H"	43.041102
"195024"	1751.27516	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na-H"	44.97116
"630207"	2604.42716	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na-H"	44.97116
"1134807"	898.12316	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na-H"	44.97116
"173963"	876.141218	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2Na"	45.978436
"613639"	1302.717218	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2Na"	45.978436
"1116786"	449.565218	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2Na"	45.978436
"1399088"	300.045904	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+2Na"	46.985712
"1433161"	900.164746	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+HCOOH"	47.012746
"222491"	881.17424	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+3H2O+2H"	56.04448
"1509583"	914.21679	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+H"	61.06479
"409381"	884.128188	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+Na+K"	61.952376
"770994"	1310.704188	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+Na+K"	61.952376
"1668298"	457.552188	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+K"	61.952376
"254820"	1770.319768	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+ACN+Na"	64.015768
"1231903"	917.167768	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+ACN+Na"	64.015768
"1719696"	917.191293	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+HCOOH"	64.039293
"1187967"	307.373218	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3Na"	68.967654
"1650572"	922.146688	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+HCOOH"	68.994688
"158892"	1783.22304	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K-H"	76.91904
"598451"	2636.37504	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K-H"	76.91904
"1086608"	930.07104	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K-H"	76.91904
"145615"	892.115158	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"2M+2K"	77.926316
"581422"	1318.691158	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"3M+2K"	77.926316
"1069065"	465.539158	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K"	77.926316
"1100330"	932.085592	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2K+H"	78.933592
"1335619"	932.173207	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+DMSO+H"	79.021207
"1005815"	936.212376	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+H"	83.060376
"1524472"	937.206008	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+IsoProp+Na+H"	84.054008
"989972"	468.609826	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+2ACN+2H"	84.067652
"1587165"	938.120628	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+HCOOH"	84.968628
"1420212"	968.152138	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+H+CF3COOH"	115.000138
"1151592"	489.123101	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+3ACN+2H"	125.094202
"1708804"	985.178685	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+NH4+CF3COOH"	132.026685
"1648465"	990.13408	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+Na+CF3COOH"	136.98208
"1584480"	1006.10802	"C21287"	"2-Hydroxyisobutanoyl-CoA;2-Hydroxy-2-methylpropanoyl-CoA"	"C25H42N7O18P3S"	"853.152"	"M+K+CF3COOH"	152.95602
"802816"	219.0895	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M"	0
"975253"	200.07111	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-H2O-H"	-19.01839
"67871"	145.052390666667	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M-3H"	-3.021828
"509617"	218.082224	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M-3H"	-3.021828
"887420"	72.0225573333333	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-3H"	-3.021828
"10372"	218.082224	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M-2H"	-2.014552
"445558"	327.626974	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M-2H"	-2.014552
"828830"	108.537474	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-2H"	-2.014552
"88822"	437.171724	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M-H"	-1.007276
"532759"	656.261224	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M-H"	-1.007276
"900353"	218.082224	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-H"	-1.007276
"57287"	454.198271	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M-2H+NH4"	16.019271
"502199"	673.287771	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M-2H+NH4"	16.019271
"876475"	235.108771	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-2H+NH4"	16.019271
"40364"	459.153666	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M-2H+Na"	20.974666
"485277"	678.243166	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M-2H+Na"	20.974666
"861012"	240.064166	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-2H+Na"	20.974666
"1629452"	240.064166	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Na-2H"	20.974666
"100513"	236.070563	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M-H+Cl"	33.962126
"546272"	345.615313	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M-H+Cl"	33.962126
"937962"	126.525813	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-H+Cl"	33.962126
"277615"	473.148402	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+Cl"	34.969402
"671128"	692.237902	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+Cl"	34.969402
"1275876"	254.058902	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Cl"	34.969402
"19525"	475.127606	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M-2H+K"	36.948606
"457992"	694.217106	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M-2H+K"	36.948606
"834700"	256.038106	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-2H+K"	36.948606
"1561471"	256.038106	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+K-2H"	36.948606
"948258"	264.087694	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-H+HCOOH"	44.998194
"377003"	483.177201	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+HCOOH-H"	44.998201
"361189"	497.192851	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+Hac-H"	59.013851
"1508261"	278.103351	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Hac-H"	59.013851
"974122"	286.069651	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-H+NaCOOH"	66.980151
"125580"	254.058902	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+2Cl"	69.938804
"565578"	363.603652	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+2Cl"	69.938804
"1036971"	144.514152	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2Cl"	69.938804
"1246865"	298.008385	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Br"	78.918885
"1313686"	300.064372	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Cl+HCOOH"	80.974872
"1330090"	322.046329	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Cl+NaCOOH"	102.956829
"916774"	332.075086	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M-H+CF3COOH"	112.985586
"1296762"	368.051764	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Cl+CF3COOH"	148.962264
"1376018"	184.076824	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H-2H2O"	-35.012676
"1392420"	202.0868	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H-H2O"	-17.0027
"287732"	439.186276	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+H"	1.007276
"686714"	658.275776	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+H"	1.007276
"1363063"	220.096776	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H"	1.007276
"134862"	220.096776	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+2H"	2.014552
"580262"	329.641526	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+2H"	2.014552
"1050513"	110.552026	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2H"	2.014552
"217685"	147.066942666667	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+3H"	3.021828
"658703"	220.096776	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+3H"	3.021828
"1176831"	74.0371093333333	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+3H"	3.021828
"439257"	456.212823	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+NH4"	18.033823
"796362"	675.302323	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+NH4"	18.033823
"1694880"	237.123323	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+NH4"	18.033823
"336596"	228.6100495	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+H+NH4"	19.041099
"730111"	338.1547995	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+H+NH4"	19.041099
"1482838"	119.0652995	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H+NH4"	19.041099
"399331"	461.168218	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+Na"	22.989218
"755950"	680.257718	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+Na"	22.989218
"1606237"	242.078718	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Na"	22.989218
"318461"	231.087747	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+H+Na"	23.996494
"713072"	340.632497	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+H+Na"	23.996494
"1466891"	121.542997	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H+Na"	23.996494
"1056127"	81.3644233333333	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2H+Na"	25.00377
"1265097"	252.122986	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+CH3OH+H"	33.033486
"388048"	477.142158	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+K"	38.963158
"741390"	696.231658	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+K"	38.963158
"1551098"	258.052658	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+K"	38.963158
"307181"	239.074717	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+H+K"	39.970434
"699603"	348.619467	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+H+K"	39.970434
"1455609"	129.529967	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H+K"	39.970434
"244212"	480.212826	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+ACN+H"	42.033826
"1219106"	261.123326	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+ACN+H"	42.033826
"1202994"	131.065301	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+ACN+2H"	43.041102
"190760"	483.15016	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+2Na-H"	44.97116
"629952"	702.23966	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+2Na-H"	44.97116
"1132849"	264.06066	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2Na-H"	44.97116
"173945"	242.078718	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+2Na"	45.978436
"614243"	351.623468	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+2Na"	45.978436
"1116530"	132.533968	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2Na"	45.978436
"1399568"	88.6917373333333	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H+2Na"	46.985712
"1430836"	266.102246	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H+HCOOH"	47.012746
"221507"	247.11174	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+3H2O+2H"	56.04448
"1509565"	280.15429	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+IsoProp+H"	61.06479
"409370"	250.065688	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+Na+K"	61.952376
"770859"	359.610438	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+Na+K"	61.952376
"1669137"	140.520938	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Na+K"	61.952376
"255658"	502.194768	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+ACN+Na"	64.015768
"1232013"	283.105268	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+ACN+Na"	64.015768
"1719806"	283.128793	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+NH4+HCOOH"	64.039293
"1186984"	96.0190513333333	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+3Na"	68.967654
"1659067"	288.084188	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Na+HCOOH"	68.994688
"167751"	515.09804	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+2K-H"	76.91904
"598196"	734.18754	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+2K-H"	76.91904
"1085989"	296.00854	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2K-H"	76.91904
"147911"	258.052658	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"2M+2K"	77.926316
"582486"	367.597408	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"3M+2K"	77.926316
"1069178"	148.507908	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2K"	77.926316
"1100563"	298.023092	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2K+H"	78.933592
"1336341"	298.110707	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+DMSO+H"	79.021207
"1005842"	302.149876	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2ACN+H"	83.060376
"1525190"	303.143508	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+IsoProp+Na+H"	84.054008
"990176"	151.578576	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+2ACN+2H"	84.067652
"1587280"	304.058128	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+K+HCOOH"	84.968628
"1423602"	334.089638	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+H+CF3COOH"	115.000138
"1150609"	172.091851	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+3ACN+2H"	125.094202
"1710738"	351.116185	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+NH4+CF3COOH"	132.026685
"1648575"	356.07158	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+Na+CF3COOH"	136.98208
"1584590"	372.04552	"C21288"	"(2S3R)-2-Hydroxy-3-(indol-3-yl)butanoate;Indolmycenate"	"C12H13NO3"	"219.0895"	"M+K+CF3COOH"	152.95602
"805113"	217.0739	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M"	0
"975362"	198.05551	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-H2O-H"	-19.01839
"67981"	143.708657333333	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M-3H"	-3.021828
"507541"	216.066624	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M-3H"	-3.021828
"887530"	71.3506906666667	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-3H"	-3.021828
"10482"	216.066624	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M-2H"	-2.014552
"443115"	324.603574	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M-2H"	-2.014552
"825660"	107.529674	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-2H"	-2.014552
"88933"	433.140524	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M-H"	-1.007276
"531409"	650.214424	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M-H"	-1.007276
"899734"	216.066624	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-H"	-1.007276
"56304"	450.167071	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M-2H+NH4"	16.019271
"502189"	667.240971	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M-2H+NH4"	16.019271
"879017"	233.093171	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-2H+NH4"	16.019271
"40473"	455.122466	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M-2H+Na"	20.974666
"484415"	672.196366	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M-2H+Na"	20.974666
"861122"	238.048566	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-2H+Na"	20.974666
"1630655"	238.048566	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Na-2H"	20.974666
"100623"	234.054963	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M-H+Cl"	33.962126
"548569"	342.591913	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M-H+Cl"	33.962126
"938072"	125.518013	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-H+Cl"	33.962126
"277725"	469.117202	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+Cl"	34.969402
"671238"	686.191102	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+Cl"	34.969402
"1277443"	252.043302	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Cl"	34.969402
"21821"	471.096406	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M-2H+K"	36.948606
"459195"	688.170306	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M-2H+K"	36.948606
"834810"	254.022506	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-2H+K"	36.948606
"1565953"	254.022506	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+K-2H"	36.948606
"948368"	262.072094	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-H+HCOOH"	44.998194
"376433"	479.146001	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+HCOOH-H"	44.998201
"357031"	493.161651	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+Hac-H"	59.013851
"1507083"	276.087751	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Hac-H"	59.013851
"973784"	284.054051	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-H+NaCOOH"	66.980151
"125363"	252.043302	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+2Cl"	69.938804
"564916"	360.580252	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+2Cl"	69.938804
"1036916"	143.506352	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2Cl"	69.938804
"1251348"	295.992785	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Br"	78.918885
"1313796"	298.048772	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Cl+HCOOH"	80.974872
"1328012"	320.030729	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Cl+NaCOOH"	102.956829
"916884"	330.059486	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M-H+CF3COOH"	112.985586
"1296871"	366.036164	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Cl+CF3COOH"	148.962264
"1375033"	182.061224	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H-2H2O"	-35.012676
"1387063"	200.0712	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H-H2O"	-17.0027
"287112"	435.155076	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+H"	1.007276
"681357"	652.228976	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+H"	1.007276
"1356246"	218.081176	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H"	1.007276
"133878"	218.081176	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+2H"	2.014552
"580367"	326.618126	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+2H"	2.014552
"1047707"	109.544226	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2H"	2.014552
"218887"	145.723209333333	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+3H"	3.021828
"652979"	218.081176	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+3H"	3.021828
"1176941"	73.3652426666667	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+3H"	3.021828
"436567"	452.181623	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+NH4"	18.033823
"796472"	669.255523	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+NH4"	18.033823
"1689520"	235.107723	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+NH4"	18.033823
"341079"	226.5944495	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+H+NH4"	19.041099
"729128"	335.1313995	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+H+NH4"	19.041099
"1481855"	118.0574995	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H+NH4"	19.041099
"399441"	457.137018	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+Na"	22.989218
"754723"	674.210918	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+Na"	22.989218
"1604281"	240.063118	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Na"	22.989218
"319665"	229.072147	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+H+Na"	23.996494
"718647"	337.609097	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+H+Na"	23.996494
"1472469"	120.535197	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H+Na"	23.996494
"1061339"	80.6925566666667	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2H+Na"	25.00377
"1263018"	250.107386	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+CH3OH+H"	33.033486
"383783"	473.110958	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+K"	38.963158
"748059"	690.184858	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+K"	38.963158
"1543553"	256.037058	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+K"	38.963158
"303645"	237.059117	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+H+K"	39.970434
"696433"	345.596067	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+H+K"	39.970434
"1452804"	128.522167	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H+K"	39.970434
"244321"	476.181626	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+ACN+H"	42.033826
"1220311"	259.107726	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+ACN+H"	42.033826
"1204195"	130.057501	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+ACN+2H"	43.041102
"191598"	479.11896	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+2Na-H"	44.97116
"631157"	696.19286	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+2Na-H"	44.97116
"1135757"	262.04506	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2Na-H"	44.97116
"173696"	240.063118	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+2Na"	45.978436
"615689"	348.600068	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+2Na"	45.978436
"1116519"	131.526168	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2Na"	45.978436
"1399923"	88.0198706666667	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H+2Na"	46.985712
"1431919"	264.086646	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H+HCOOH"	47.012746
"221252"	245.09614	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+3H2O+2H"	56.04448
"1509679"	278.13869	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+IsoProp+H"	61.06479
"410093"	248.050088	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+Na+K"	61.952376
"771450"	356.587038	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+Na+K"	61.952376
"1670340"	139.513138	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Na+K"	61.952376
"255766"	498.163568	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+ACN+Na"	64.015768
"1232121"	281.089668	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+ACN+Na"	64.015768
"1716635"	281.113193	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+NH4+HCOOH"	64.039293
"1181260"	95.3471846666667	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+3Na"	68.967654
"1658084"	286.068588	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Na+HCOOH"	68.994688
"164945"	511.06684	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+2K-H"	76.91904
"599643"	728.14074	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+2K-H"	76.91904
"1086586"	293.99294	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2K-H"	76.91904
"148022"	256.037058	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"2M+2K"	77.926316
"582598"	364.574008	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"3M+2K"	77.926316
"1069045"	147.500108	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2K"	77.926316
"1101525"	296.007492	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2K+H"	78.933592
"1336213"	296.095107	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+DMSO+H"	79.021207
"1006198"	300.134276	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2ACN+H"	83.060376
"1524572"	301.127908	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+IsoProp+Na+H"	84.054008
"990777"	150.570776	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+2ACN+2H"	84.067652
"1587713"	302.042528	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+K+HCOOH"	84.968628
"1417151"	332.074038	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+H+CF3COOH"	115.000138
"1151812"	171.084051	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+3ACN+2H"	125.094202
"1709025"	349.100585	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+NH4+CF3COOH"	132.026685
"1643582"	354.05598	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+Na+CF3COOH"	136.98208
"1584700"	370.02992	"C21289"	"(R)-3-(indol-3-yl)-2-oxobutyrate"	"C12H11NO3"	"217.0739"	"M+K+CF3COOH"	152.95602
"805223"	90.0681	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M"	0
"978755"	71.04971	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-H2O-H"	-19.01839
"73558"	59.038124	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M-3H"	-3.021828
"510931"	89.060824	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M-3H"	-3.021828
"890920"	29.015424	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-3H"	-3.021828
"9499"	89.060824	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M-2H"	-2.014552
"444685"	134.094874	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M-2H"	-2.014552
"824678"	44.026774	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-2H"	-2.014552
"91231"	179.128924	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M-H"	-1.007276
"531522"	269.197024	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M-H"	-1.007276
"898751"	89.060824	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-H"	-1.007276
"56414"	196.155471	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M-2H+NH4"	16.019271
"502585"	286.223571	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M-2H+NH4"	16.019271
"879248"	106.087371	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-2H+NH4"	16.019271
"40583"	201.110866	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M-2H+Na"	20.974666
"486591"	291.178966	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M-2H+Na"	20.974666
"862933"	111.042766	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-2H+Na"	20.974666
"1633723"	111.042766	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Na-2H"	20.974666
"104013"	107.049163	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M-H+Cl"	33.962126
"549611"	152.083213	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M-H+Cl"	33.962126
"941341"	62.015113	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-H+Cl"	33.962126
"273461"	215.105602	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+Cl"	34.969402
"669161"	305.173702	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+Cl"	34.969402
"1276095"	125.037502	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Cl"	34.969402
"18651"	217.084806	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M-2H+K"	36.948606
"458212"	307.152906	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M-2H+K"	36.948606
"834190"	127.016706	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-2H+K"	36.948606
"1566063"	127.016706	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+K-2H"	36.948606
"947385"	135.066294	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-H+HCOOH"	44.998194
"373990"	225.134401	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+HCOOH-H"	44.998201
"353860"	239.150051	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+Hac-H"	59.013851
"1505248"	149.081951	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Hac-H"	59.013851
"974084"	157.048251	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-H+NaCOOH"	66.980151
"125677"	125.037502	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+2Cl"	69.938804
"565560"	170.071552	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+2Cl"	69.938804
"1036953"	80.003452	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2Cl"	69.938804
"1251458"	168.986985	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Br"	78.918885
"1313906"	171.042972	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Cl+HCOOH"	80.974872
"1327029"	193.024929	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Cl+NaCOOH"	102.956829
"918087"	203.053686	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M-H+CF3COOH"	112.985586
"1296981"	239.030364	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Cl+CF3COOH"	148.962264
"1375144"	55.055424	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H-2H2O"	-35.012676
"1387173"	73.0654	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H-H2O"	-17.0027
"284672"	181.143476	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+H"	1.007276
"681467"	271.211576	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+H"	1.007276
"1357815"	91.075376	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H"	1.007276
"130708"	91.075376	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+2H"	2.014552
"580117"	136.109426	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+2H"	2.014552
"1051466"	46.041326	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2H"	2.014552
"215719"	61.052676	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+3H"	3.021828
"658195"	91.075376	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+3H"	3.021828
"1174500"	31.029976	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+3H"	3.021828
"434491"	198.170023	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+NH4"	18.033823
"794395"	288.238123	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+NH4"	18.033823
"1689630"	108.101923	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+NH4"	18.033823
"341189"	99.5886495	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+H+NH4"	19.041099
"725958"	144.6226995	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+H+NH4"	19.041099
"1481965"	54.5545995	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H+NH4"	19.041099
"393233"	203.125418	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+Na"	22.989218
"754386"	293.193518	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+Na"	22.989218
"1602847"	113.057318	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Na"	22.989218
"315521"	102.066347	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+H+Na"	23.996494
"715477"	147.100397	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+H+Na"	23.996494
"1471486"	57.032297	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H+Na"	23.996494
"1058170"	38.35729	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2H+Na"	25.00377
"1260943"	123.101586	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+CH3OH+H"	33.033486
"380613"	219.099358	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+K"	38.963158
"748169"	309.167458	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+K"	38.963158
"1543663"	129.031258	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+K"	38.963158
"306307"	110.053317	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+H+K"	39.970434
"699823"	155.087367	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+H+K"	39.970434
"1447812"	65.019267	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H+K"	39.970434
"243340"	222.170026	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+ACN+H"	42.033826
"1219330"	132.101926	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+ACN+H"	42.033826
"1198839"	66.554601	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+ACN+2H"	43.041102
"189156"	225.10736	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+2Na-H"	44.97116
"631269"	315.17546	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+2Na-H"	44.97116
"1131854"	135.03926	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2Na-H"	44.97116
"173097"	113.057318	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+2Na"	45.978436
"613371"	158.091368	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+2Na"	45.978436
"1119676"	68.023268	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2Na"	45.978436
"1399184"	45.684604	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H+2Na"	46.985712
"1433127"	137.080846	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H+HCOOH"	47.012746
"221364"	118.09034	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+3H2O+2H"	56.04448
"1509793"	151.13289	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+IsoProp+H"	61.06479
"409471"	121.044288	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+Na+K"	61.952376
"770832"	166.078338	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+Na+K"	61.952376
"1668629"	76.010238	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Na+K"	61.952376
"254784"	244.151968	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+ACN+Na"	64.015768
"1231869"	154.083868	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+ACN+Na"	64.015768
"1720025"	154.107393	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+NH4+HCOOH"	64.039293
"1185380"	53.011918	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+3Na"	68.967654
"1652725"	159.062788	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Na+HCOOH"	68.994688
"162869"	257.05524	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+2K-H"	76.91904
"601335"	347.12334	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+2K-H"	76.91904
"1088034"	166.98714	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2K-H"	76.91904
"150317"	129.031258	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"2M+2K"	77.926316
"582830"	174.065308	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"3M+2K"	77.926316
"1069031"	83.997208	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2K"	77.926316
"1100295"	169.001692	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2K+H"	78.933592
"1335611"	169.089307	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+DMSO+H"	79.021207
"1006193"	173.128476	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2ACN+H"	83.060376
"1525049"	174.122108	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+IsoProp+Na+H"	84.054008
"990770"	87.067876	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+2ACN+2H"	84.067652
"1587084"	175.036728	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+K+HCOOH"	84.968628
"1416895"	205.068238	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+H+CF3COOH"	115.000138
"1151921"	107.581151	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+3ACN+2H"	125.094202
"1709135"	222.094785	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+NH4+CF3COOH"	132.026685
"1643692"	227.05018	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+Na+CF3COOH"	136.98208
"1584810"	243.02412	"C21290"	"2-Methylpropane-12-diol;Isobutene glycol"	"C4H10O2"	"90.0681"	"M+K+CF3COOH"	152.95602
"805333"	88.0524	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M"	0
"975585"	69.03401	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-H2O-H"	-19.01839
"71481"	57.694324	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M-3H"	-3.021828
"513229"	87.045124	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M-3H"	-3.021828
"891033"	28.343524	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-3H"	-3.021828
"10703"	87.045124	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M-2H"	-2.014552
"443703"	131.071324	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M-2H"	-2.014552
"826974"	43.018924	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-2H"	-2.014552
"91219"	175.097524	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M-H"	-1.007276
"531511"	263.149924	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M-H"	-1.007276
"901414"	87.045124	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-H"	-1.007276
"48862"	192.124071	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M-2H+NH4"	16.019271
"489149"	280.176471	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M-2H+NH4"	16.019271
"878629"	104.071671	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-2H+NH4"	16.019271
"37414"	197.079466	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M-2H+Na"	20.974666
"485365"	285.131866	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M-2H+Na"	20.974666
"860248"	109.027066	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-2H+Na"	20.974666
"1633429"	109.027066	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Na-2H"	20.974666
"104123"	105.033463	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M-H+Cl"	33.962126
"549804"	149.059663	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M-H+Cl"	33.962126
"941208"	61.007263	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-H+Cl"	33.962126
"270291"	211.074202	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+Cl"	34.969402
"669271"	299.126602	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+Cl"	34.969402
"1274019"	123.021802	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Cl"	34.969402
"16938"	213.053406	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M-2H+K"	36.948606
"457229"	301.105806	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M-2H+K"	36.948606
"835031"	125.001006	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-2H+K"	36.948606
"1556332"	125.001006	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+K-2H"	36.948606
"947495"	133.050594	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-H+HCOOH"	44.998194
"372276"	221.103001	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+HCOOH-H"	44.998201
"352877"	235.118651	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+Hac-H"	59.013851
"1506087"	147.066251	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Hac-H"	59.013851
"974087"	155.032551	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-H+NaCOOH"	66.980151
"125626"	123.021802	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+2Cl"	69.938804
"565505"	167.048002	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+2Cl"	69.938804
"1036935"	78.995602	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2Cl"	69.938804
"1251568"	166.971285	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Br"	78.918885
"1314016"	169.027272	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Cl+HCOOH"	80.974872
"1327139"	191.009229	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Cl+NaCOOH"	102.956829
"918197"	201.037986	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M-H+CF3COOH"	112.985586
"1293811"	237.014664	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Cl+CF3COOH"	148.962264
"1375254"	53.039724	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H-2H2O"	-35.012676
"1387283"	71.0497	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H-H2O"	-17.0027
"285875"	177.112076	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+H"	1.007276
"687044"	265.164476	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+H"	1.007276
"1361205"	89.059676	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H"	1.007276
"129725"	89.059676	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+2H"	2.014552
"578769"	133.085876	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+2H"	2.014552
"1050844"	45.033476	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2H"	2.014552
"213643"	59.708876	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+3H"	3.021828
"656484"	89.059676	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+3H"	3.021828
"1174610"	30.358076	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+3H"	3.021828
"434602"	194.138623	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+NH4"	18.033823
"793412"	282.191023	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+NH4"	18.033823
"1689740"	106.086223	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+NH4"	18.033823
"335836"	97.5729495	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+H+NH4"	19.041099
"729349"	141.5991495	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+H+NH4"	19.041099
"1480981"	53.5467495	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H+NH4"	19.041099
"392878"	199.094018	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+Na"	22.989218
"754618"	287.146418	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+Na"	22.989218
"1605473"	111.041618	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Na"	22.989218
"322072"	100.050647	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+H+Na"	23.996494
"714495"	144.076847	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+H+Na"	23.996494
"1469412"	56.024447	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H+Na"	23.996494
"1063747"	37.68539	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2H+Na"	25.00377
"1264333"	121.085886	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+CH3OH+H"	33.033486
"386190"	215.067958	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+K"	38.963158
"746095"	303.120358	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+K"	38.963158
"1543408"	127.015558	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+K"	38.963158
"303865"	108.037617	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+H+K"	39.970434
"698840"	152.063817	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+H+K"	39.970434
"1452661"	64.011417	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H+K"	39.970434
"246731"	218.138626	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+ACN+H"	42.033826
"1219440"	130.086226	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+ACN+H"	42.033826
"1198949"	65.546751	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+ACN+2H"	43.041102
"193278"	221.07596	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+2Na-H"	44.97116
"635752"	309.12836	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+2Na-H"	44.97116
"1132697"	133.02356	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2Na-H"	44.97116
"174165"	111.041618	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+2Na"	45.978436
"613726"	155.067818	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+2Na"	45.978436
"1121244"	67.015418	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2Na"	45.978436
"1402580"	45.012704	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H+2Na"	46.985712
"1435062"	135.065146	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H+HCOOH"	47.012746
"221474"	116.07464	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+3H2O+2H"	56.04448
"1510630"	149.11719	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+IsoProp+H"	61.06479
"412141"	119.028588	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+Na+K"	61.952376
"770946"	163.054788	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+Na+K"	61.952376
"1668740"	75.002388	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Na+K"	61.952376
"253073"	240.120568	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+ACN+Na"	64.015768
"1227970"	152.068168	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+ACN+Na"	64.015768
"1714305"	152.091693	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+NH4+HCOOH"	64.039293
"1180753"	52.340018	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+3Na"	68.967654
"1650085"	157.047088	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Na+HCOOH"	68.994688
"157872"	253.02384	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+2K-H"	76.91904
"597220"	341.07624	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+2K-H"	76.91904
"1084647"	164.97144	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2K-H"	76.91904
"141832"	127.015558	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"2M+2K"	77.926316
"581836"	171.041758	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"3M+2K"	77.926316
"1069626"	82.989358	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2K"	77.926316
"1102589"	166.985992	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2K+H"	78.933592
"1335645"	167.073607	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+DMSO+H"	79.021207
"1005784"	171.112776	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2ACN+H"	83.060376
"1524303"	172.106408	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+IsoProp+Na+H"	84.054008
"990268"	86.060026	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+2ACN+2H"	84.067652
"1587155"	173.021028	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+K+HCOOH"	84.968628
"1419557"	203.052538	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+H+CF3COOH"	115.000138
"1151302"	106.573301	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+3ACN+2H"	125.094202
"1708152"	220.079085	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+NH4+CF3COOH"	132.026685
"1649270"	225.03448	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+Na+CF3COOH"	136.98208
"1584920"	241.00842	"C21291"	"2-Hydroxy-2-methylpropanal;2-Hydroxyisobutyraldehyde"	"C4H8O2"	"88.0524"	"M+K+CF3COOH"	152.95602
"802891"	778.2505	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M"	0
"975695"	759.23211	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-H2O-H"	-19.01839
"68311"	517.826390666667	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M-3H"	-3.021828
"513341"	777.243224	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M-3H"	-3.021828
"891143"	258.409557333333	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-3H"	-3.021828
"8626"	777.243224	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M-2H"	-2.014552
"444906"	1166.368474	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M-2H"	-2.014552
"822712"	388.117974	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-2H"	-2.014552
"88170"	1555.493724	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M-H"	-1.007276
"528826"	2333.744224	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M-H"	-1.007276
"899703"	777.243224	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-H"	-1.007276
"56626"	1572.520271	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M-2H+NH4"	16.019271
"487757"	2350.770771	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M-2H+NH4"	16.019271
"878618"	794.269771	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-2H+NH4"	16.019271
"37524"	1577.475666	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M-2H+Na"	20.974666
"477087"	2355.726166	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M-2H+Na"	20.974666
"860358"	799.225166	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-2H+Na"	20.974666
"1630985"	799.225166	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Na-2H"	20.974666
"102046"	795.231563	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M-H+Cl"	33.962126
"544888"	1184.356813	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M-H+Cl"	33.962126
"938402"	406.106313	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-H+Cl"	33.962126
"268699"	1591.470402	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+Cl"	34.969402
"668288"	2369.720902	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+Cl"	34.969402
"1274250"	813.219902	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Cl"	34.969402
"17898"	1593.449606	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M-2H+K"	36.948606
"456036"	2371.700106	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M-2H+K"	36.948606
"835141"	815.199106	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-2H+K"	36.948606
"1556234"	815.199106	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+K-2H"	36.948606
"944323"	823.248694	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-H+HCOOH"	44.998194
"371658"	1601.499201	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+HCOOH-H"	44.998201
"352987"	1615.514851	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+Hac-H"	59.013851
"1506197"	837.264351	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Hac-H"	59.013851
"973507"	845.230651	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-H+NaCOOH"	66.980151
"125408"	813.219902	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+2Cl"	69.938804
"565128"	1202.345152	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+2Cl"	69.938804
"1036354"	424.094652	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2Cl"	69.938804
"1255689"	857.169385	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Br"	78.918885
"1317042"	859.225372	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Cl+HCOOH"	80.974872
"1330528"	881.207329	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Cl+NaCOOH"	102.956829
"921588"	891.236086	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M-H+CF3COOH"	112.985586
"1296108"	927.212764	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Cl+CF3COOH"	148.962264
"1373175"	743.237824	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H-2H2O"	-35.012676
"1384112"	761.2478	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H-H2O"	-17.0027
"287079"	1557.508276	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+H"	1.007276
"686790"	2335.758776	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+H"	1.007276
"1360221"	779.257776	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H"	1.007276
"130928"	779.257776	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+2H"	2.014552
"577781"	1168.383026	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+2H"	2.014552
"1045852"	390.132526	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2H"	2.014552
"215577"	519.840942666667	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+3H"	3.021828
"656959"	779.257776	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+3H"	3.021828
"1174356"	260.424109333333	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+3H"	3.021828
"429246"	1574.534823	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+NH4"	18.033823
"794617"	2352.785323	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+NH4"	18.033823
"1689851"	796.284323	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+NH4"	18.033823
"333758"	787.7710495	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+H+NH4"	19.041099
"725448"	1176.8962995	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+H+NH4"	19.041099
"1479999"	398.6457995	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H+NH4"	19.041099
"394181"	1579.490218	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+Na"	22.989218
"754807"	2357.740718	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+Na"	22.989218
"1604489"	801.239718	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Na"	22.989218
"316715"	790.248747	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+H+Na"	23.996494
"709139"	1179.373997	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+H+Na"	23.996494
"1466240"	401.123497	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H+Na"	23.996494
"1059485"	267.751423333333	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2H+Na"	25.00377
"1264447"	811.283986	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+CH3OH+H"	33.033486
"384113"	1595.464158	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+K"	38.963158
"745111"	2373.714658	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+K"	38.963158
"1544612"	817.213658	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+K"	38.963158
"305797"	798.235717	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+H+K"	39.970434
"697856"	1187.360967	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+H+K"	39.970434
"1450218"	409.110467	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H+K"	39.970434
"243559"	1598.534826	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+ACN+H"	42.033826
"1218093"	820.284326	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+ACN+H"	42.033826
"1200517"	410.645801	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+ACN+2H"	43.041102
"189739"	1601.47216	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+2Na-H"	44.97116
"634769"	2379.72266	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+2Na-H"	44.97116
"1136089"	823.22166	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2Na-H"	44.97116
"174639"	801.239718	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+2Na"	45.978436
"615292"	1190.364968	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+2Na"	45.978436
"1120261"	412.114468	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2Na"	45.978436
"1401594"	275.078737333333	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H+2Na"	46.985712
"1433712"	825.263246	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H+HCOOH"	47.012746
"223404"	806.27274	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+3H2O+2H"	56.04448
"1510371"	839.31529	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+IsoProp+H"	61.06479
"412616"	809.226688	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+Na+K"	61.952376
"771784"	1198.351938	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+Na+K"	61.952376
"1669577"	420.101438	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Na+K"	61.952376
"256096"	1620.516768	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+ACN+Na"	64.015768
"1233911"	842.266268	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+ACN+Na"	64.015768
"1721340"	842.289793	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+NH4+HCOOH"	64.039293
"1186329"	282.406051333333	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+3Na"	68.967654
"1651119"	847.245188	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Na+HCOOH"	68.994688
"159441"	1633.42004	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+2K-H"	76.91904
"597696"	2411.67054	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+2K-H"	76.91904
"1084845"	855.16954	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2K-H"	76.91904
"141822"	817.213658	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"2M+2K"	77.926316
"581542"	1206.338908	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"3M+2K"	77.926316
"1069495"	428.088408	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2K"	77.926316
"1101122"	857.184092	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2K+H"	78.933592
"1336670"	857.271707	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+DMSO+H"	79.021207
"1006538"	861.310876	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2ACN+H"	83.060376
"1525028"	862.304508	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+IsoProp+Na+H"	84.054008
"990024"	431.159076	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+2ACN+2H"	84.067652
"1587032"	863.219128	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+K+HCOOH"	84.968628
"1416749"	893.250638	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+H+CF3COOH"	115.000138
"1147637"	451.672351	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+3ACN+2H"	125.094202
"1706075"	910.277185	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+NH4+CF3COOH"	132.026685
"1649258"	915.23258	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+Na+CF3COOH"	136.98208
"1585030"	931.20652	"C21292"	"Maduropeptin chromophore;(-)-Maduropeptin chromophore"	"C40H43ClN2O12"	"778.2505"	"M+K+CF3COOH"	152.95602
"816125"	513.2058	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M"	0
"988565"	494.18741	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-H2O-H"	-19.01839
"74984"	341.129924	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M-3H"	-3.021828
"517827"	512.198524	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M-3H"	-3.021828
"893441"	170.061324	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-3H"	-3.021828
"6549"	512.198524	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M-2H"	-2.014552
"454860"	768.801424	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M-2H"	-2.014552
"827197"	255.595624	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-2H"	-2.014552
"90472"	1025.404324	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M-H"	-1.007276
"528938"	1538.610124	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M-H"	-1.007276
"900180"	512.198524	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-H"	-1.007276
"48718"	1042.430871	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M-2H+NH4"	16.019271
"490097"	1555.636671	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M-2H+NH4"	16.019271
"876296"	529.225071	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-2H+NH4"	16.019271
"38727"	1047.386266	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M-2H+Na"	20.974666
"482665"	1560.592066	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M-2H+Na"	20.974666
"857186"	534.180466	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-2H+Na"	20.974666
"1626721"	534.180466	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Na-2H"	20.974666
"99967"	530.186863	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M-H+Cl"	33.962126
"538434"	786.789763	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M-H+Cl"	33.962126
"935230"	273.583963	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-H+Cl"	33.962126
"267594"	1061.381002	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+Cl"	34.969402
"665118"	1574.586802	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+Cl"	34.969402
"1277522"	548.175202	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Cl"	34.969402
"20079"	1063.360206	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M-2H+K"	36.948606
"467293"	1576.566006	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M-2H+K"	36.948606
"841814"	550.154406	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-2H+K"	36.948606
"1558739"	550.154406	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+K-2H"	36.948606
"943341"	558.203994	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-H+HCOOH"	44.998194
"372496"	1071.409801	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+HCOOH-H"	44.998201
"352004"	1085.425451	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+Hac-H"	59.013851
"1506797"	572.219651	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Hac-H"	59.013851
"973494"	580.185951	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-H+NaCOOH"	66.980151
"123130"	548.175202	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+2Cl"	69.938804
"565243"	804.778102	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+2Cl"	69.938804
"1032211"	291.572302	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2Cl"	69.938804
"1250696"	592.124685	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Br"	78.918885
"1317517"	594.180672	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Cl+HCOOH"	80.974872
"1332828"	616.162629	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Cl+NaCOOH"	102.956829
"924977"	626.191386	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M-H+CF3COOH"	112.985586
"1299498"	662.168064	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Cl+CF3COOH"	148.962264
"1379118"	478.193124	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H-2H2O"	-35.012676
"1391875"	496.2031	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H-H2O"	-17.0027
"297638"	1027.418876	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+H"	1.007276
"690185"	1540.624676	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+H"	1.007276
"1365800"	514.213076	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H"	1.007276
"129945"	514.213076	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+2H"	2.014552
"578255"	770.815976	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+2H"	2.014552
"1048147"	257.610176	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2H"	2.014552
"219697"	343.144476	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+3H"	3.021828
"653424"	514.213076	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+3H"	3.021828
"1178432"	172.075876	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+3H"	3.021828
"437008"	1044.445423	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+NH4"	18.033823
"796911"	1557.651223	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+NH4"	18.033823
"1693241"	531.239623	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+NH4"	18.033823
"339334"	522.7263495	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+H+NH4"	19.041099
"733942"	779.3292495	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+H+NH4"	19.041099
"1486670"	266.1234495	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H+NH4"	19.041099
"396236"	1049.400818	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+Na"	22.989218
"757960"	1562.606618	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+Na"	22.989218
"1606788"	536.195018	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Na"	22.989218
"323386"	525.204047	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+H+Na"	23.996494
"715811"	781.806947	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+H+Na"	23.996494
"1470728"	268.601147	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H+Na"	23.996494
"1059598"	179.40319	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2H+Na"	25.00377
"1266746"	546.239286	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+CH3OH+H"	33.033486
"383132"	1065.374758	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+K"	38.963158
"747407"	1578.580558	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+K"	38.963158
"1550555"	552.168958	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+K"	38.963158
"309919"	533.191017	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+H+K"	39.970434
"701246"	789.793917	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+H+K"	39.970434
"1456162"	276.588117	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H+K"	39.970434
"248045"	1068.445426	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+ACN+H"	42.033826
"1220755"	555.239626	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+ACN+H"	42.033826
"1204639"	278.123451	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+ACN+2H"	43.041102
"198239"	1071.38276	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+2Na-H"	44.97116
"635975"	1584.58856	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+2Na-H"	44.97116
"1139846"	558.17696	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2Na-H"	44.97116
"177305"	536.195018	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+2Na"	45.978436
"615771"	792.797918	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+2Na"	45.978436
"1120008"	279.592118	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2Na"	45.978436
"1403528"	186.730504	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H+2Na"	46.985712
"1433092"	560.218546	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H+HCOOH"	47.012746
"223520"	541.22804	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+3H2O+2H"	56.04448
"1513766"	574.27059	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+IsoProp+H"	61.06479
"414547"	544.181988	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+Na+K"	61.952376
"773354"	800.784888	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+Na+K"	61.952376
"1674063"	287.579088	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Na+K"	61.952376
"259486"	1090.427368	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+ACN+Na"	64.015768
"1235478"	577.221568	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+ACN+Na"	64.015768
"1719263"	577.245093	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+NH4+HCOOH"	64.039293
"1185348"	194.057818	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+3Na"	68.967654
"1651958"	582.200488	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Na+HCOOH"	68.994688
"165385"	1103.33064	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+2K-H"	76.91904
"597527"	1616.53644	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+2K-H"	76.91904
"1093106"	590.12484	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2K-H"	76.91904
"149557"	552.168958	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"2M+2K"	77.926316
"582145"	808.771858	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"3M+2K"	77.926316
"1068598"	295.566058	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2K"	77.926316
"1100145"	592.139392	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2K+H"	78.933592
"1336417"	592.227007	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+DMSO+H"	79.021207
"1007015"	596.266176	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2ACN+H"	83.060376
"1533159"	597.259808	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+IsoProp+Na+H"	84.054008
"993045"	298.636726	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+2ACN+2H"	84.067652
"1587547"	598.174428	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+K+HCOOH"	84.968628
"1414422"	628.205938	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+H+CF3COOH"	115.000138
"1148598"	319.150001	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+3ACN+2H"	125.094202
"1711531"	645.232485	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+NH4+CF3COOH"	132.026685
"1649368"	650.18788	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+Na+CF3COOH"	136.98208
"1585140"	666.16182	"C21293"	"Validamycin B"	"C20H35NO14"	"513.2058"	"M+K+CF3COOH"	152.95602
"812224"	202.0242	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M"	0
"977008"	183.00581	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H2O-H"	-19.01839
"73998"	133.675524	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-3H"	-3.021828
"510280"	201.016924	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-3H"	-3.021828
"890268"	66.334124	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-3H"	-3.021828
"6659"	201.016924	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H"	-2.014552
"451689"	302.029024	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H"	-2.014552
"832573"	100.004824	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H"	-2.014552
"92648"	403.041124	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-H"	-1.007276
"533059"	605.065324	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-H"	-1.007276
"910010"	201.016924	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H"	-1.007276
"53571"	420.067671	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H+NH4"	16.019271
"494226"	622.091871	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H+NH4"	16.019271
"879448"	218.043471	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H+NH4"	16.019271
"45400"	425.023066	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H+Na"	20.974666
"482775"	627.047266	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H+Na"	20.974666
"857296"	222.998866	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H+Na"	20.974666
"1631935"	222.998866	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na-2H"	20.974666
"100078"	219.005263	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-H+Cl"	33.962126
"541825"	320.017363	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-H+Cl"	33.962126
"935340"	117.993163	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+Cl"	33.962126
"269527"	439.017802	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Cl"	34.969402
"663042"	641.042002	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+Cl"	34.969402
"1277632"	236.993602	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl"	34.969402
"23467"	440.997006	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M-2H+K"	36.948606
"463028"	643.021206	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M-2H+K"	36.948606
"844110"	238.972806	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-2H+K"	36.948606
"1564318"	238.972806	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K-2H"	36.948606
"944545"	247.022394	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+HCOOH"	44.998194
"375527"	449.046601	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+HCOOH-H"	44.998201
"357582"	463.062251	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Hac-H"	59.013851
"1507516"	261.038051	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Hac-H"	59.013851
"972510"	269.004351	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+NaCOOH"	66.980151
"125070"	236.993602	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2Cl"	69.938804
"564989"	338.005702	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2Cl"	69.938804
"1034145"	135.981502	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2Cl"	69.938804
"1252267"	280.943085	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Br"	78.918885
"1314349"	282.999072	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl+HCOOH"	80.974872
"1330751"	304.981029	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl+NaCOOH"	102.956829
"924728"	315.009786	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M-H+CF3COOH"	112.985586
"1302167"	350.986464	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Cl+CF3COOH"	148.962264
"1381418"	167.011524	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H-2H2O"	-35.012676
"1396361"	185.0215	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H-H2O"	-17.0027
"297023"	405.055676	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H"	1.007276
"689203"	607.079876	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H"	1.007276
"1366280"	203.031476	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H"	1.007276
"136985"	203.031476	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2H"	2.014552
"576909"	304.043576	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2H"	2.014552
"1049355"	102.019376	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2H"	2.014552
"219807"	135.690076	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+3H"	3.021828
"659855"	203.031476	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+3H"	3.021828
"1178226"	68.348676	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+3H"	3.021828
"438577"	422.082223	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+NH4"	18.033823
"801033"	624.106423	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+NH4"	18.033823
"1695906"	220.058023	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+NH4"	18.033823
"344547"	211.5447495	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H+NH4"	19.041099
"737337"	312.5568495	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H+NH4"	19.041099
"1488603"	110.5326495	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+NH4"	19.041099
"399994"	427.037618	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Na"	22.989218
"763175"	629.061818	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+Na"	22.989218
"1612367"	225.013418	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na"	22.989218
"325685"	214.022447	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H+Na"	23.996494
"715921"	315.034547	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H+Na"	23.996494
"1475211"	113.010347	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+Na"	23.996494
"1060802"	75.67599	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2H+Na"	25.00377
"1270136"	235.057686	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+CH3OH+H"	33.033486
"386522"	443.011558	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+K"	38.963158
"749703"	645.035758	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+K"	38.963158
"1549573"	240.987358	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K"	38.963158
"313308"	222.009417	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+H+K"	39.970434
"705001"	323.021517	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+H+K"	39.970434
"1456276"	120.997317	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+K"	39.970434
"244878"	446.082226	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+ACN+H"	42.033826
"1222688"	244.058026	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+ACN+H"	42.033826
"1205479"	122.532651	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+ACN+2H"	43.041102
"196528"	449.01956	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2Na-H"	44.97116
"639365"	651.04376	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2Na-H"	44.97116
"1140686"	246.99536	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2Na-H"	44.97116
"177052"	225.013418	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2Na"	45.978436
"622446"	326.025518	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2Na"	45.978436
"1122671"	124.001318	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2Na"	45.978436
"1401090"	83.003304	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+2Na"	46.985712
"1432838"	249.036946	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+HCOOH"	47.012746
"223266"	230.04644	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+3H2O+2H"	56.04448
"1513880"	263.08899	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+IsoProp+H"	61.06479
"420126"	233.000388	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+Na+K"	61.952376
"775287"	334.012488	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+Na+K"	61.952376
"1667242"	131.988288	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na+K"	61.952376
"257410"	468.064168	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+ACN+Na"	64.015768
"1234495"	266.039968	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+ACN+Na"	64.015768
"1719010"	266.063493	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+NH4+HCOOH"	64.039293
"1183272"	90.330618	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+3Na"	68.967654
"1654259"	271.018888	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na+HCOOH"	68.994688
"169869"	480.96744	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2K-H"	76.91904
"597888"	682.99164	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2K-H"	76.91904
"1089571"	278.94324	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2K-H"	76.91904
"149669"	240.987358	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"2M+2K"	77.926316
"588135"	341.999458	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"3M+2K"	77.926316
"1069487"	139.975258	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2K"	77.926316
"1100997"	280.957792	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2K+H"	78.933592
"1340055"	281.045407	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+DMSO+H"	79.021207
"1005910"	285.084576	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2ACN+H"	83.060376
"1532177"	286.078208	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+IsoProp+Na+H"	84.054008
"993156"	143.045926	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+2ACN+2H"	84.067652
"1589849"	286.992828	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K+HCOOH"	84.968628
"1418794"	317.024338	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+H+CF3COOH"	115.000138
"1153456"	163.559201	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+3ACN+2H"	125.094202
"1711399"	334.050885	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+NH4+CF3COOH"	132.026685
"1649480"	339.00628	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+Na+CF3COOH"	136.98208
"1585250"	354.98022	"C21294"	"D-Erythritol 1-phosphate"	"C4H11O7P"	"202.0242"	"M+K+CF3COOH"	152.95602
"802493"	239.0821	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M"	0
"979305"	220.06371	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-H2O-H"	-19.01839
"74108"	158.380790666667	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M-3H"	-3.021828
"510390"	238.074824	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M-3H"	-3.021828
"890378"	78.6867573333333	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-3H"	-3.021828
"13330"	238.074824	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M-2H"	-2.014552
"451798"	357.615874	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M-2H"	-2.014552
"828511"	118.533774	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-2H"	-2.014552
"88503"	477.156924	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M-H"	-1.007276
"529157"	716.239024	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M-H"	-1.007276
"900399"	238.074824	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-H"	-1.007276
"54773"	494.183471	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M-2H+NH4"	16.019271
"490325"	733.265571	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M-2H+NH4"	16.019271
"874329"	255.101371	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-2H+NH4"	16.019271
"42229"	499.138866	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M-2H+Na"	20.974666
"482885"	738.220966	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M-2H+Na"	20.974666
"856313"	260.056766	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-2H+Na"	20.974666
"1628034"	260.056766	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Na-2H"	20.974666
"98000"	256.063163	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M-H+Cl"	33.962126
"540842"	375.604213	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M-H+Cl"	33.962126
"934357"	136.522113	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-H+Cl"	33.962126
"270730"	513.133602	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+Cl"	34.969402
"665338"	752.215702	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+Cl"	34.969402
"1276649"	274.051502	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Cl"	34.969402
"23577"	515.112806	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M-2H+K"	36.948606
"463138"	754.194906	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M-2H+K"	36.948606
"843127"	276.030706	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-2H+K"	36.948606
"1562240"	276.030706	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+K-2H"	36.948606
"947936"	284.080294	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-H+HCOOH"	44.998194
"376245"	523.162401	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+HCOOH-H"	44.998201
"357692"	537.178051	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+Hac-H"	59.013851
"1507991"	298.095951	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Hac-H"	59.013851
"972986"	306.062251	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-H+NaCOOH"	66.980151
"125551"	274.051502	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+2Cl"	69.938804
"564979"	393.592552	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+2Cl"	69.938804
"1036328"	154.510452	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2Cl"	69.938804
"1252010"	318.000985	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Br"	78.918885
"1314459"	320.056972	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Cl+HCOOH"	80.974872
"1333413"	342.038929	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Cl+NaCOOH"	102.956829
"926296"	352.067686	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M-H+CF3COOH"	112.985586
"1303369"	388.044364	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Cl+CF3COOH"	148.962264
"1381528"	204.069424	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H-2H2O"	-35.012676
"1398135"	222.0794	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H-H2O"	-17.0027
"297618"	479.171476	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+H"	1.007276
"689675"	718.253576	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+H"	1.007276
"1365297"	240.089376	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H"	1.007276
"134540"	240.089376	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+2H"	2.014552
"577018"	359.630426	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+2H"	2.014552
"1050924"	120.548326	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2H"	2.014552
"218824"	160.395342666667	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+3H"	3.021828
"658869"	240.089376	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+3H"	3.021828
"1177967"	80.7013093333333	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+3H"	3.021828
"439539"	496.198023	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+NH4"	18.033823
"798955"	735.280123	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+NH4"	18.033823
"1695895"	257.115923	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+NH4"	18.033823
"344051"	248.6026495	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+H+NH4"	19.041099
"735623"	368.1436995	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+H+NH4"	19.041099
"1490902"	129.0615995	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H+NH4"	19.041099
"403386"	501.153418	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+Na"	22.989218
"762194"	740.235518	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+Na"	22.989218
"1612478"	262.071318	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Na"	22.989218
"324703"	251.080347	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+H+Na"	23.996494
"713845"	370.621397	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+H+Na"	23.996494
"1475321"	131.539297	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H+Na"	23.996494
"1066380"	88.0286233333333	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2H+Na"	25.00377
"1270246"	272.115586	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+CH3OH+H"	33.033486
"388819"	517.127358	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+K"	38.963158
"747627"	756.209458	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+K"	38.963158
"1547497"	278.045258	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+K"	38.963158
"310139"	259.067317	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+H+K"	39.970434
"701469"	378.608367	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+H+K"	39.970434
"1455290"	139.526267	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H+K"	39.970434
"244988"	520.198026	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+ACN+H"	42.033826
"1223163"	281.115926	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+ACN+H"	42.033826
"1203769"	141.061601	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+ACN+2H"	43.041102
"195545"	523.13536	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+2Na-H"	44.97116
"637290"	762.21746	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+2Na-H"	44.97116
"1139703"	284.05326	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2Na-H"	44.97116
"178622"	262.071318	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+2Na"	45.978436
"621463"	381.612368	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+2Na"	45.978436
"1122782"	142.530268	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2Na"	45.978436
"1403023"	95.3559373333333	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H+2Na"	46.985712
"1438419"	286.094846	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H+HCOOH"	47.012746
"225928"	267.10434	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+3H2O+2H"	56.04448
"1513992"	300.14689	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+IsoProp+H"	61.06479
"412947"	270.058288	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+Na+K"	61.952376
"777952"	389.599338	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+Na+K"	61.952376
"1669905"	150.517238	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Na+K"	61.952376
"257522"	542.179968	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+ACN+Na"	64.015768
"1232418"	303.097868	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+ACN+Na"	64.015768
"1718027"	303.121393	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+NH4+HCOOH"	64.039293
"1183015"	102.683251333333	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+3Na"	68.967654
"1655463"	308.076788	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Na+HCOOH"	68.994688
"163418"	555.08324	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+2K-H"	76.91904
"598972"	794.16534	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+2K-H"	76.91904
"1090775"	316.00114	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2K-H"	76.91904
"151966"	278.045258	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"2M+2K"	77.926316
"588245"	397.586308	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"3M+2K"	77.926316
"1070084"	158.504208	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2K"	77.926316
"1102688"	318.015692	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2K+H"	78.933592
"1339072"	318.103307	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+DMSO+H"	79.021207
"1008695"	322.142476	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2ACN+H"	83.060376
"1532287"	323.136108	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+IsoProp+Na+H"	84.054008
"993266"	161.574876	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+2ACN+2H"	84.067652
"1590323"	324.050728	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+K+HCOOH"	84.968628
"1421091"	354.082238	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+H+CF3COOH"	115.000138
"1152473"	182.088151	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+3ACN+2H"	125.094202
"1711508"	371.108785	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+NH4+CF3COOH"	132.026685
"1647521"	376.06418	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+Na+CF3COOH"	136.98208
"1585360"	392.03812	"C21295"	"5-Methylphenazine-1-carboxylate"	"C14H11N2O2"	"239.0821"	"M+K+CF3COOH"	152.95602
"812445"	304.2038	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M"	0
"979417"	285.18541	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H2O-H"	-19.01839
"69844"	201.795257333333	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-3H"	-3.021828
"513778"	303.196524	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-3H"	-3.021828
"888303"	100.393990666667	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-3H"	-3.021828
"5786"	303.196524	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H"	-2.014552
"448628"	455.298424	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H"	-2.014552
"826434"	151.094624	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H"	-2.014552
"90799"	607.400324	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H"	-1.007276
"522706"	911.604124	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H"	-1.007276
"903789"	303.196524	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H"	-1.007276
"52696"	624.426871	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+NH4"	16.019271
"493349"	928.630671	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+NH4"	16.019271
"874440"	320.223071	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+NH4"	16.019271
"39060"	629.382266	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+Na"	20.974666
"482995"	933.586066	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+Na"	20.974666
"855329"	325.178466	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+Na"	20.974666
"1628144"	325.178466	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na-2H"	20.974666
"101390"	321.184863	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-H+Cl"	33.962126
"542045"	473.286763	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-H+Cl"	33.962126
"930093"	169.082963	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+Cl"	33.962126
"270839"	643.377002	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Cl"	34.969402
"664355"	947.580802	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Cl"	34.969402
"1277852"	339.173202	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl"	34.969402
"23687"	645.356206	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M-2H+K"	36.948606
"464341"	949.560006	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M-2H+K"	36.948606
"839955"	341.152406	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-2H+K"	36.948606
"1560161"	341.152406	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K-2H"	36.948606
"946950"	349.201994	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+HCOOH"	44.998194
"376923"	653.405801	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+HCOOH-H"	44.998201
"354522"	667.421451	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Hac-H"	59.013851
"1507733"	363.217651	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Hac-H"	59.013851
"970898"	371.183951	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+NaCOOH"	66.980151
"124190"	339.173202	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Cl"	69.938804
"564480"	491.275102	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Cl"	69.938804
"1036683"	187.071302	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Cl"	69.938804
"1255401"	383.122685	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Br"	78.918885
"1315663"	385.178672	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+HCOOH"	80.974872
"1333889"	407.160629	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+NaCOOH"	102.956829
"926527"	417.189386	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M-H+CF3COOH"	112.985586
"1303240"	453.166064	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Cl+CF3COOH"	148.962264
"1380543"	269.191124	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-2H2O"	-35.012676
"1395852"	287.2011	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H-H2O"	-17.0027
"297244"	609.414876	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H"	1.007276
"689421"	913.618676	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H"	1.007276
"1365043"	305.211076	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H"	1.007276
"135743"	305.211076	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2H"	2.014552
"577128"	457.312976	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2H"	2.014552
"1047386"	153.109176	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H"	2.014552
"214192"	203.809809333333	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H"	3.021828
"651565"	305.211076	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+3H"	3.021828
"1172608"	102.408542666667	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3H"	3.021828
"438438"	626.441423	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+NH4"	18.033823
"797972"	930.645223	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+NH4"	18.033823
"1694911"	322.237623	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4"	18.033823
"342947"	313.7243495	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+NH4"	19.041099
"734275"	465.8262495	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+NH4"	19.041099
"1491013"	161.6224495	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+NH4"	19.041099
"404591"	631.396818	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na"	22.989218
"763398"	935.600618	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na"	22.989218
"1610401"	327.193018	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na"	22.989218
"319347"	316.202047	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+Na"	23.996494
"715048"	468.303947	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+Na"	23.996494
"1471785"	164.100147	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+Na"	23.996494
"1065399"	109.735856666667	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2H+Na"	25.00377
"1267077"	337.237286	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+CH3OH+H"	33.033486
"387839"	647.370758	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+K"	38.963158
"749929"	951.574558	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+K"	38.963158
"1546515"	343.166958	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K"	38.963158
"304787"	324.189017	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+H+K"	39.970434
"699394"	476.290917	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+H+K"	39.970434
"1454310"	172.087117	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+K"	39.970434
"246193"	650.441426	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+H"	42.033826
"1219994"	346.237626	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+H"	42.033826
"1204971"	173.622451	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+2H"	43.041102
"193832"	653.37876	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na-H"	44.97116
"637401"	957.58256	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na-H"	44.97116
"1142000"	349.17496	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na-H"	44.97116
"175447"	327.193018	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2Na"	45.978436
"615373"	479.294918	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2Na"	45.978436
"1119611"	175.091118	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2Na"	45.978436
"1400460"	117.063170666667	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+2Na"	46.985712
"1432334"	351.216546	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+HCOOH"	47.012746
"226038"	332.22604	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+3H2O+2H"	56.04448
"1515195"	365.26859	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+H"	61.06479
"412326"	335.179988	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+Na+K"	61.952376
"778062"	487.281888	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+Na+K"	61.952376
"1670745"	183.078088	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+K"	61.952376
"253619"	672.423368	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+ACN+Na"	64.015768
"1230702"	368.219568	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+ACN+Na"	64.015768
"1719229"	368.243093	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+HCOOH"	64.039293
"1185678"	124.390484666667	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3Na"	68.967654
"1656666"	373.198488	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+HCOOH"	68.994688
"164621"	685.32664	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K-H"	76.91904
"599813"	989.53044	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K-H"	76.91904
"1095259"	381.12284	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K-H"	76.91904
"155356"	343.166958	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"2M+2K"	77.926316
"591635"	495.268858	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"3M+2K"	77.926316
"1071047"	191.065058	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K"	77.926316
"1102798"	383.137392	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2K+H"	78.933592
"1339182"	383.225007	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+DMSO+H"	79.021207
"1006618"	387.264176	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+H"	83.060376
"1530210"	388.257808	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+IsoProp+Na+H"	84.054008
"993376"	194.135726	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+2ACN+2H"	84.067652
"1590433"	389.172428	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+HCOOH"	84.968628
"1419015"	419.203938	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+H+CF3COOH"	115.000138
"1151490"	214.649001	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+3ACN+2H"	125.094202
"1709796"	436.230485	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+NH4+CF3COOH"	132.026685
"1647632"	441.18588	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+Na+CF3COOH"	136.98208
"1585470"	457.15982	"C21296"	"1alpha-Hydroxytestosterone"	"C19H28O3"	"304.2038"	"M+K+CF3COOH"	152.95602
"812555"	104.0473	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M"	0
"980620"	85.02891	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H2O-H"	-19.01839
"68862"	68.3575906666667	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-3H"	-3.021828
"512796"	103.040024	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-3H"	-3.021828
"888413"	33.6751573333333	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-3H"	-3.021828
"11364"	103.040024	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H"	-2.014552
"448738"	155.063674	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H"	-2.014552
"828730"	51.016374	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H"	-2.014552
"90909"	207.087324	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-H"	-1.007276
"527190"	311.134624	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-H"	-1.007276
"901713"	103.040024	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H"	-1.007276
"54992"	224.113871	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H+NH4"	16.019271
"496739"	328.161171	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H+NH4"	16.019271
"871270"	120.066571	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H+NH4"	16.019271
"39170"	229.069266	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H+Na"	20.974666
"479825"	333.116566	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H+Na"	20.974666
"854346"	125.021966	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H+Na"	20.974666
"1624974"	125.021966	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na-2H"	20.974666
"100406"	121.028363	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-H+Cl"	33.962126
"538875"	173.052013	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-H+Cl"	33.962126
"930203"	69.004713	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+Cl"	33.962126
"267790"	243.064002	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Cl"	34.969402
"663369"	347.111302	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+Cl"	34.969402
"1273704"	139.016702	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl"	34.969402
"19423"	245.043206	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M-2H+K"	36.948606
"460076"	349.090506	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M-2H+K"	36.948606
"835691"	140.995906	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-2H+K"	36.948606
"1556991"	140.995906	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K-2H"	36.948606
"944874"	149.045494	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+HCOOH"	44.998194
"376189"	253.092801	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+HCOOH-H"	44.998201
"360107"	267.108451	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Hac-H"	59.013851
"1507118"	163.061151	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Hac-H"	59.013851
"973885"	171.027451	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+NaCOOH"	66.980151
"124290"	139.016702	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2Cl"	69.938804
"562762"	191.040352	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2Cl"	69.938804
"1035208"	86.993052	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2Cl"	69.938804
"1251137"	182.966185	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Br"	78.918885
"1315773"	185.022172	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl+HCOOH"	80.974872
"1333269"	207.004129	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl+NaCOOH"	102.956829
"923232"	217.032886	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M-H+CF3COOH"	112.985586
"1301033"	253.009564	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Cl+CF3COOH"	148.962264
"1379559"	69.034624	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H-2H2O"	-35.012676
"1395232"	87.0446	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H-H2O"	-17.0027
"297837"	209.101876	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H"	1.007276
"690623"	313.149176	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H"	1.007276
"1365515"	105.054576	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H"	1.007276
"135853"	105.054576	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2H"	2.014552
"577238"	157.078226	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2H"	2.014552
"1047860"	53.030926	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2H"	2.014552
"213209"	70.3721426666667	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+3H"	3.021828
"649488"	105.054576	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+3H"	3.021828
"1173082"	35.6897093333333	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+3H"	3.021828
"437452"	226.128423	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+NH4"	18.033823
"798082"	330.175723	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+NH4"	18.033823
"1693318"	122.081123	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+NH4"	18.033823
"342327"	113.5678495	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H+NH4"	19.041099
"735477"	165.5914995	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H+NH4"	19.041099
"1491124"	61.5441995	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+NH4"	19.041099
"403972"	231.083818	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Na"	22.989218
"763873"	335.131118	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+Na"	22.989218
"1610511"	127.036518	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na"	22.989218
"321643"	116.045547	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H+Na"	23.996494
"716252"	168.069197	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H+Na"	23.996494
"1472625"	64.021897	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+Na"	23.996494
"1066966"	43.0170233333333	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2H+Na"	25.00377
"1269374"	137.080786	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+CH3OH+H"	33.033486
"389771"	247.057758	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+K"	38.963158
"750403"	351.105058	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+K"	38.963158
"1549905"	143.010458	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K"	38.963158
"307082"	124.032517	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+H+K"	39.970434
"699504"	176.056167	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+H+K"	39.970434
"1455513"	72.008867	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+K"	39.970434
"248490"	250.128426	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+ACN+H"	42.033826
"1221198"	146.081126	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+ACN+H"	42.033826
"1203988"	73.544201	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+ACN+2H"	43.041102
"194672"	253.06576	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2Na-H"	44.97116
"638604"	357.11306	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2Na-H"	44.97116
"1142110"	149.01846	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2Na-H"	44.97116
"174097"	127.036518	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2Na"	45.978436
"614390"	179.060168	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2Na"	45.978436
"1123001"	75.012868	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2Na"	45.978436
"1400326"	50.3443373333333	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+2Na"	46.985712
"1431713"	151.060046	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+HCOOH"	47.012746
"223961"	132.06954	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+3H2O+2H"	56.04448
"1515305"	165.11209	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+IsoProp+H"	61.06479
"411709"	135.023488	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+Na+K"	61.952376
"778172"	187.047138	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+Na+K"	61.952376
"1670127"	82.999838	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na+K"	61.952376
"255552"	272.110368	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+ACN+Na"	64.015768
"1230812"	168.063068	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+ACN+Na"	64.015768
"1718246"	168.086593	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+NH4+HCOOH"	64.039293
"1184695"	57.6716513333333	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+3Na"	68.967654
"1651309"	173.041988	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na+HCOOH"	68.994688
"165825"	285.01364	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2K-H"	76.91904
"602110"	389.06094	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2K-H"	76.91904
"1095370"	180.96634	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2K-H"	76.91904
"151093"	143.010458	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"2M+2K"	77.926316
"592841"	195.034108	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"3M+2K"	77.926316
"1071886"	90.986808	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2K"	77.926316
"1105095"	182.980892	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2K+H"	78.933592
"1342572"	183.068507	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+DMSO+H"	79.021207
"1006482"	187.107676	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2ACN+H"	83.060376
"1527040"	188.101308	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+IsoProp+Na+H"	84.054008
"992393"	94.057476	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+2ACN+2H"	84.067652
"1590543"	189.015928	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K+HCOOH"	84.968628
"1418032"	219.047438	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+H+CF3COOH"	115.000138
"1150507"	114.570751	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+3ACN+2H"	125.094202
"1710999"	236.073985	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+NH4+CF3COOH"	132.026685
"1647742"	241.02938	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+Na+CF3COOH"	136.98208
"1585580"	257.00332	"C21297"	"2-Hydroxy-2-methylpropanoate;2-Hydroxyisobutyrate"	"C4H8O3"	"104.0473"	"M+K+CF3COOH"	152.95602
"806104"	154.0266	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M"	0
"978542"	135.00821	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-H2O-H"	-19.01839
"66785"	101.677124	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M-3H"	-3.021828
"506345"	153.019324	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M-3H"	-3.021828
"892898"	50.334924	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-3H"	-3.021828
"11474"	153.019324	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M-2H"	-2.014552
"455616"	230.032624	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M-2H"	-2.014552
"832613"	76.006024	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-2H"	-2.014552
"93984"	307.045924	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M-H"	-1.007276
"532773"	461.072524	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M-H"	-1.007276
"910450"	153.019324	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-H"	-1.007276
"62520"	324.072471	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M-2H+NH4"	16.019271
"501840"	478.099071	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M-2H+NH4"	16.019271
"873567"	170.045871	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-2H+NH4"	16.019271
"44020"	329.027866	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M-2H+Na"	20.974666
"479935"	483.054466	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M-2H+Na"	20.974666
"854456"	175.001266	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-2H+Na"	20.974666
"1630551"	175.001266	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Na-2H"	20.974666
"105985"	171.007663	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M-H+Cl"	33.962126
"542267"	248.020963	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M-H+Cl"	33.962126
"932500"	93.994363	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-H+Cl"	33.962126
"269967"	343.022602	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+Cl"	34.969402
"666761"	497.049202	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+Cl"	34.969402
"1283536"	188.996002	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Cl"	34.969402
"22812"	345.001806	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M-2H+K"	36.948606
"462373"	499.028406	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M-2H+K"	36.948606
"843455"	190.975206	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-2H+K"	36.948606
"1564756"	190.975206	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+K-2H"	36.948606
"952639"	199.024794	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-H+HCOOH"	44.998194
"375736"	353.051401	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+HCOOH-H"	44.998201
"360227"	367.067051	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+Hac-H"	59.013851
"1506866"	213.040451	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Hac-H"	59.013851
"972952"	221.006751	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-H+NaCOOH"	66.980151
"125020"	188.996002	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+2Cl"	69.938804
"564704"	266.009302	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+2Cl"	69.938804
"1036175"	111.982702	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2Cl"	69.938804
"1254897"	232.945485	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Br"	78.918885
"1319168"	235.001472	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Cl+HCOOH"	80.974872
"1335205"	256.983429	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Cl+NaCOOH"	102.956829
"925898"	267.012186	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M-H+CF3COOH"	112.985586
"1302605"	302.988864	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Cl+CF3COOH"	148.962264
"1382609"	119.013924	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H-2H2O"	-35.012676
"1398407"	137.0239	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H-H2O"	-17.0027
"298443"	309.060476	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+H"	1.007276
"689641"	463.087076	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+H"	1.007276
"1365625"	155.033876	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H"	1.007276
"135963"	155.033876	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+2H"	2.014552
"574429"	232.047176	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+2H"	2.014552
"1048699"	78.020576	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2H"	2.014552
"215871"	103.691676	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+3H"	3.021828
"655796"	155.033876	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+3H"	3.021828
"1176110"	52.349476	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+3H"	3.021828
"437563"	326.087023	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+NH4"	18.033823
"800259"	480.113623	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+NH4"	18.033823
"1695251"	172.060423	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+NH4"	18.033823
"344869"	163.5471495	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+H+NH4"	19.041099
"737045"	240.5604495	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+H+NH4"	19.041099
"1489043"	86.5338495	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H+NH4"	19.041099
"405541"	331.042418	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+Na"	22.989218
"763618"	485.069018	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+Na"	22.989218
"1613903"	177.015818	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Na"	22.989218
"326128"	166.024847	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+H+Na"	23.996494
"715269"	243.038147	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+H+Na"	23.996494
"1471273"	89.011547	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H+Na"	23.996494
"1060149"	59.67679	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2H+Na"	25.00377
"1268022"	187.060086	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+CH3OH+H"	33.033486
"388057"	347.016358	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+K"	38.963158
"747958"	501.042958	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+K"	38.963158
"1550010"	192.989758	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+K"	38.963158
"310469"	174.011817	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+H+K"	39.970434
"704715"	251.025117	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+H+K"	39.970434
"1459631"	96.998517	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H+K"	39.970434
"249690"	350.087026	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+ACN+H"	42.033826
"1223490"	196.060426	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+ACN+H"	42.033826
"1204095"	98.533851	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+ACN+2H"	43.041102
"200248"	353.02436	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+2Na-H"	44.97116
"638711"	507.05096	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+2Na-H"	44.97116
"1144405"	198.99776	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2Na-H"	44.97116
"178951"	177.015818	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+2Na"	45.978436
"616323"	254.029118	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+2Na"	45.978436
"1123110"	100.002518	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2Na"	45.978436
"1399949"	67.004104	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H+2Na"	46.985712
"1437656"	201.039346	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H+HCOOH"	47.012746
"227352"	182.04884	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+3H2O+2H"	56.04448
"1509698"	215.09139	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+IsoProp+H"	61.06479
"411089"	185.002788	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+Na+K"	61.952376
"771716"	262.016088	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+Na+K"	61.952376
"1670600"	107.989488	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Na+K"	61.952376
"256027"	372.068968	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+ACN+Na"	64.015768
"1230195"	218.042368	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+ACN+Na"	64.015768
"1721635"	218.065893	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+NH4+HCOOH"	64.039293
"1184805"	74.331418	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+3Na"	68.967654
"1654700"	223.021288	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Na+HCOOH"	68.994688
"165935"	384.97224	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+2K-H"	76.91904
"606595"	538.99884	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+2K-H"	76.91904
"1097669"	230.94564	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2K-H"	76.91904
"154483"	192.989758	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"2M+2K"	77.926316
"596231"	270.003058	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"3M+2K"	77.926316
"1073090"	115.976458	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2K"	77.926316
"1105206"	232.960192	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2K+H"	78.933592
"1344870"	233.047807	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+DMSO+H"	79.021207
"1011213"	237.086976	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2ACN+H"	83.060376
"1529337"	238.080608	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+IsoProp+Na+H"	84.054008
"996879"	119.047126	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+2ACN+2H"	84.067652
"1593570"	238.995228	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+K+HCOOH"	84.968628
"1418137"	269.026738	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+H+CF3COOH"	115.000138
"1151710"	139.560401	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+3ACN+2H"	125.094202
"1711961"	286.053285	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+NH4+CF3COOH"	132.026685
"1644572"	291.00868	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+Na+CF3COOH"	136.98208
"1585690"	306.98262	"C21298"	"26-Dihydroxybenzoate;gamma-Resorcylate"	"C7H6O4"	"154.0266"	"M+K+CF3COOH"	152.95602
"809495"	1029.3662	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M"	0
"980843"	1010.34781	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-H2O-H"	-19.01839
"65803"	685.236857333333	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M-3H"	-3.021828
"507553"	1028.358924	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M-3H"	-3.021828
"893741"	342.114790666667	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-3H"	-3.021828
"5029"	1028.358924	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M-2H"	-2.014552
"448964"	1543.042024	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M-2H"	-2.014552
"827859"	513.675824	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-2H"	-2.014552
"91130"	2057.725124	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M-H"	-1.007276
"521944"	3087.091324	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M-H"	-1.007276
"904121"	1028.358924	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-H"	-1.007276
"59593"	2074.751671	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M-2H+NH4"	16.019271
"495876"	3104.117871	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M-2H+NH4"	16.019271
"871491"	1045.385471	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-2H+NH4"	16.019271
"39393"	2079.707066	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M-2H+Na"	20.974666
"480046"	3109.073266	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M-2H+Na"	20.974666
"854565"	1050.340866	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-2H+Na"	20.974666
"1625192"	1050.340866	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Na-2H"	20.974666
"105002"	1046.347263	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M-H+Cl"	33.962126
"538004"	1561.030363	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M-H+Cl"	33.962126
"930424"	531.664163	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-H+Cl"	33.962126
"270071"	2093.701802	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+Cl"	34.969402
"662128"	3123.068002	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+Cl"	34.969402
"1277085"	1064.335602	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Cl"	34.969402
"24018"	2095.681006	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M-2H+K"	36.948606
"467591"	3125.047206	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M-2H+K"	36.948606
"844660"	1066.314806	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-2H+K"	36.948606
"1570917"	1066.314806	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+K-2H"	36.948606
"958288"	1074.364394	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-H+HCOOH"	44.998194
"375715"	2103.730601	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+HCOOH-H"	44.998201
"360897"	2117.746251	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+Hac-H"	59.013851
"1507867"	1088.380051	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Hac-H"	59.013851
"971600"	1096.346351	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-H+NaCOOH"	66.980151
"123424"	1064.335602	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+2Cl"	69.938804
"557512"	1579.018702	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+2Cl"	69.938804
"1033970"	549.652502	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2Cl"	69.938804
"1255006"	1108.285085	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Br"	78.918885
"1313806"	1110.341072	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Cl+HCOOH"	80.974872
"1329114"	1132.323029	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Cl+NaCOOH"	102.956829
"926495"	1142.351786	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M-H+CF3COOH"	112.985586
"1300889"	1178.328464	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Cl+CF3COOH"	148.962264
"1380144"	994.353524	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H-2H2O"	-35.012676
"1392537"	1012.3635	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H-H2O"	-17.0027
"295505"	2059.739676	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+H"	1.007276
"681367"	3089.105876	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+H"	1.007276
"1357716"	1030.373476	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H"	1.007276
"137534"	1030.373476	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+2H"	2.014552
"579283"	1545.056576	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+2H"	2.014552
"1050998"	515.690376	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2H"	2.014552
"217443"	687.251409333333	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+3H"	3.021828
"655177"	1030.373476	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+3H"	3.021828
"1166013"	344.129342666667	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+3H"	3.021828
"434389"	2076.766223	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+NH4"	18.033823
"797939"	3106.132423	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+NH4"	18.033823
"1692810"	1047.400023	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+NH4"	18.033823
"339993"	1038.8867495	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+H+NH4"	19.041099
"735703"	1553.5698495	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+H+NH4"	19.041099
"1486242"	524.2036495	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H+NH4"	19.041099
"405286"	2081.721618	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+Na"	22.989218
"763729"	3111.087818	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+Na"	22.989218
"1609639"	1052.355418	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Na"	22.989218
"318944"	1041.364447	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+H+Na"	23.996494
"714285"	1556.047547	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+H+Na"	23.996494
"1470291"	526.681347	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H+Na"	23.996494
"1061350"	351.456656666667	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2H+Na"	25.00377
"1267402"	1062.399686	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+CH3OH+H"	33.033486
"388530"	2097.695558	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+K"	38.963158
"749164"	3127.061758	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+K"	38.963158
"1550121"	1068.329358	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+K"	38.963158
"309482"	1049.351417	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+H+K"	39.970434
"701905"	1564.034517	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+H+K"	39.970434
"1454635"	534.668317	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H+K"	39.970434
"249676"	2100.766226	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+ACN+H"	42.033826
"1224573"	1071.400026	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+ACN+H"	42.033826
"1205295"	536.203651	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+ACN+2H"	43.041102
"194888"	2103.70356	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+2Na-H"	44.97116
"642103"	3133.06976	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+2Na-H"	44.97116
"1144515"	1074.33736	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2Na-H"	44.97116
"181245"	1052.355418	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+2Na"	45.978436
"620804"	1567.038518	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+2Na"	45.978436
"1121753"	537.672318	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2Na"	45.978436
"1400538"	358.783970666667	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H+2Na"	46.985712
"1432652"	1076.378946	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H+HCOOH"	47.012746
"223080"	1057.38844	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+3H2O+2H"	56.04448
"1511506"	1090.43099	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+IsoProp+H"	61.06479
"411558"	1060.342388	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+Na+K"	61.952376
"772918"	1575.025488	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+Na+K"	61.952376
"1669616"	545.659288	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Na+K"	61.952376
"254683"	2122.748168	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+ACN+Na"	64.015768
"1229577"	1093.381968	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+ACN+Na"	64.015768
"1721751"	1093.405493	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+NH4+HCOOH"	64.039293
"1186012"	366.111284666667	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+3Na"	68.967654
"1661378"	1098.360888	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Na+HCOOH"	68.994688
"163864"	2135.65144	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+2K-H"	76.91904
"606704"	3165.01764	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+2K-H"	76.91904
"1096683"	1106.28524	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2K-H"	76.91904
"144754"	1068.329358	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"2M+2K"	77.926316
"586500"	1583.012458	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"3M+2K"	77.926316
"1072103"	553.646258	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2K"	77.926316
"1103127"	1108.299792	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2K+H"	78.933592
"1341699"	1108.387407	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+DMSO+H"	79.021207
"1015695"	1112.426576	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2ACN+H"	83.060376
"1529449"	1113.420208	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+IsoProp+Na+H"	84.054008
"992617"	556.716926	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+2ACN+2H"	84.067652
"1599155"	1114.334828	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+K+HCOOH"	84.968628
"1423724"	1144.366338	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+H+CF3COOH"	115.000138
"1157295"	577.230201	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+3ACN+2H"	125.094202
"1709033"	1161.392885	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+NH4+CF3COOH"	132.026685
"1645779"	1166.34828	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+Na+CF3COOH"	136.98208
"1585802"	1182.32222	"C21301"	"Kedarcidin chromophore"	"C53H60ClN3O16"	"1029.3662"	"M+K+CF3COOH"	152.95602
"811793"	400.3341	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M"	0
"980952"	381.31571	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H2O-H"	-19.01839
"64089"	265.882124	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-3H"	-3.021828
"507662"	399.326824	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-3H"	-3.021828
"894216"	132.437424	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-3H"	-3.021828
"10606"	399.326824	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H"	-2.014552
"451260"	599.493874	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H"	-2.014552
"831251"	199.159774	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H"	-2.014552
"93550"	799.660924	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-H"	-1.007276
"523150"	1199.995024	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-H"	-1.007276
"910429"	399.326824	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H"	-1.007276
"59703"	816.687471	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+NH4"	16.019271
"499997"	1217.021571	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+NH4"	16.019271
"874882"	416.353371	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+NH4"	16.019271
"42783"	821.642866	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+Na"	20.974666
"479062"	1221.976966	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+Na"	20.974666
"852489"	421.308766	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+Na"	20.974666
"1624209"	421.308766	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na-2H"	20.974666
"100738"	417.315163	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-H+Cl"	33.962126
"541391"	617.482213	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-H+Cl"	33.962126
"931628"	217.148113	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+Cl"	33.962126
"270547"	835.637602	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Cl"	34.969402
"666978"	1235.971702	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Cl"	34.969402
"1279381"	435.303502	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl"	34.969402
"25221"	837.616806	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M-2H+K"	36.948606
"468794"	1237.950906	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M-2H+K"	36.948606
"844406"	437.282706	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-2H+K"	36.948606
"1571082"	437.282706	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K-2H"	36.948606
"957981"	445.332294	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+HCOOH"	44.998194
"376886"	845.666401	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+HCOOH-H"	44.998201
"361050"	859.682051	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Hac-H"	59.013851
"1508060"	459.347951	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Hac-H"	59.013851
"973535"	467.314251	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+NaCOOH"	66.980151
"123535"	435.303502	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Cl"	69.938804
"561633"	635.470552	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Cl"	69.938804
"1035782"	235.136452	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Cl"	69.938804
"1256863"	479.252985	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Br"	78.918885
"1319018"	481.308972	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+HCOOH"	80.974872
"1327037"	503.290929	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+NaCOOH"	102.956829
"926988"	513.319686	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M-H+CF3COOH"	112.985586
"1299905"	549.296364	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Cl+CF3COOH"	148.962264
"1382443"	365.321424	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H-2H2O"	-35.012676
"1395929"	383.3314	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H-H2O"	-17.0027
"293428"	801.675476	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H"	1.007276
"680748"	1202.009576	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H"	1.007276
"1358919"	401.341376	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H"	1.007276
"137280"	401.341376	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2H"	2.014552
"576841"	601.508426	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2H"	2.014552
"1047828"	201.174326	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2H"	2.014552
"216459"	267.896676	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+3H"	3.021828
"653100"	401.341376	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+3H"	3.021828
"1172320"	134.451976	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3H"	3.021828
"434136"	818.702023	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+NH4"	18.033823
"798049"	1219.036123	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+NH4"	18.033823
"1691464"	418.367923	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4"	18.033823
"339740"	409.8546495	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+NH4"	19.041099
"736542"	610.0216995	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+NH4"	19.041099
"1485258"	209.6875995	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+NH4"	19.041099
"405031"	823.657418	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Na"	22.989218
"764933"	1223.991518	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Na"	22.989218
"1610842"	423.323318	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na"	22.989218
"320877"	412.332347	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+Na"	23.996494
"715490"	612.499397	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+Na"	23.996494
"1469308"	212.165297	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+Na"	23.996494
"1061460"	141.77929	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2H+Na"	25.00377
"1266419"	433.367586	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+CH3OH+H"	33.033486
"388273"	839.631358	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+K"	38.963158
"747086"	1239.965458	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+K"	38.963158
"1549136"	439.297258	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K"	38.963158
"303030"	420.319317	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+H+K"	39.970434
"696546"	620.486367	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+H+K"	39.970434
"1455838"	220.152267	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+K"	39.970434
"246626"	842.702026	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+ACN+H"	42.033826
"1219334"	442.367926	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+H"	42.033826
"1204311"	221.687601	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+2H"	43.041102
"193903"	845.63936	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Na-H"	44.97116
"635651"	1245.97346	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Na-H"	44.97116
"1142437"	445.30526	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Na-H"	44.97116
"178072"	423.323318	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2Na"	45.978436
"620914"	623.490368	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2Na"	45.978436
"1121501"	223.156268	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2Na"	45.978436
"1401742"	149.106604	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+2Na"	46.985712
"1432399"	447.346846	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+HCOOH"	47.012746
"221365"	428.35634	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+3H2O+2H"	56.04448
"1509427"	461.39889	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+IsoProp+H"	61.06479
"409846"	431.310288	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+Na+K"	61.952376
"770112"	631.477338	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+Na+K"	61.952376
"1668998"	231.143238	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+K"	61.952376
"255886"	864.683968	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+ACN+Na"	64.015768
"1229687"	464.349868	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+ACN+Na"	64.015768
"1721861"	464.373393	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4+HCOOH"	64.039293
"1185029"	156.433918	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3Na"	68.967654
"1658209"	469.328788	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+HCOOH"	68.994688
"166162"	877.58724	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2K-H"	76.91904
"610095"	1277.92134	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2K-H"	76.91904
"1094607"	477.25314	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K-H"	76.91904
"145957"	439.297258	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"2M+2K"	77.926316
"584788"	639.464308	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"3M+2K"	77.926316
"1071488"	239.130208	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K"	77.926316
"1105425"	479.267692	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2K+H"	78.933592
"1338529"	479.355307	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+DMSO+H"	79.021207
"1010339"	483.394476	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2ACN+H"	83.060376
"1527372"	484.388108	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+IsoProp+Na+H"	84.054008
"992727"	242.200876	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+2ACN+2H"	84.067652
"1601455"	485.302728	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K+HCOOH"	84.968628
"1422741"	515.334238	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+H+CF3COOH"	115.000138
"1156311"	262.714151	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+3ACN+2H"	125.094202
"1709143"	532.360785	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+NH4+CF3COOH"	132.026685
"1647713"	537.31618	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+Na+CF3COOH"	136.98208
"1585912"	553.29012	"C21303"	"(25R)-26-Hydroxycholest-4-en-3-one"	"C27H44O2"	"400.3341"	"M+K+CF3COOH"	152.95602
"806435"	398.3185	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M"	0
"979968"	379.30011	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H2O-H"	-19.01839
"66023"	264.538390666667	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-3H"	-3.021828
"505585"	397.311224	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-3H"	-3.021828
"893233"	131.765557333333	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-3H"	-3.021828
"6343"	397.311224	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H"	-2.014552
"444809"	596.470474	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H"	-2.014552
"830996"	198.151974	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H"	-2.014552
"89163"	795.629724	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-H"	-1.007276
"526540"	1193.948224	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-H"	-1.007276
"907619"	397.311224	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H"	-1.007276
"59814"	812.656271	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H+NH4"	16.019271
"500472"	1210.974771	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H+NH4"	16.019271
"874992"	414.337771	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H+NH4"	16.019271
"42893"	817.611666	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H+Na"	20.974666
"479172"	1215.930166	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H+Na"	20.974666
"853692"	419.293166	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H+Na"	20.974666
"1622132"	419.293166	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na-2H"	20.974666
"98661"	415.299563	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-H+Cl"	33.962126
"539314"	614.458813	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-H+Cl"	33.962126
"932830"	216.140313	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+Cl"	33.962126
"272480"	831.606402	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Cl"	34.969402
"667088"	1229.924902	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+Cl"	34.969402
"1278398"	433.287902	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl"	34.969402
"26424"	833.585606	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H+K"	36.948606
"467811"	1231.904106	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H+K"	36.948606
"844516"	435.267106	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H+K"	36.948606
"1571241"	435.267106	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K-2H"	36.948606
"958409"	443.316694	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+HCOOH"	44.998194
"377105"	841.635201	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+HCOOH-H"	44.998201
"361261"	855.650851	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Hac-H"	59.013851
"1507808"	457.332351	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Hac-H"	59.013851
"973643"	465.298651	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+NaCOOH"	66.980151
"124739"	433.287902	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2Cl"	69.938804
"563933"	632.447152	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2Cl"	69.938804
"1034918"	234.128652	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2Cl"	69.938804
"1255953"	477.237385	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Br"	78.918885
"1318034"	479.293372	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl+HCOOH"	80.974872
"1328239"	501.275329	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl+NaCOOH"	102.956829
"925131"	511.304086	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+CF3COOH"	112.985586
"1300015"	547.280764	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl+CF3COOH"	148.962264
"1381337"	363.305824	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H-2H2O"	-35.012676
"1396039"	381.3158	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H-H2O"	-17.0027
"293538"	797.644276	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H"	1.007276
"680857"	1195.962776	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H"	1.007276
"1359028"	399.325776	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H"	1.007276
"135201"	399.325776	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2H"	2.014552
"576950"	598.485026	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2H"	2.014552
"1045751"	200.166526	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2H"	2.014552
"215111"	266.552942666667	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+3H"	3.021828
"651024"	399.325776	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+3H"	3.021828
"1172431"	133.780109333333	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+3H"	3.021828
"437162"	814.670823	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+NH4"	18.033823
"799982"	1212.989323	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+NH4"	18.033823
"1691938"	416.352323	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+NH4"	18.033823
"339850"	407.8390495	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H+NH4"	19.041099
"733735"	606.9982995	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H+NH4"	19.041099
"1487555"	208.6797995	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+NH4"	19.041099
"405141"	819.626218	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Na"	22.989218
"765043"	1217.944718	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+Na"	22.989218
"1610952"	421.307718	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na"	22.989218
"320987"	410.316747	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H+Na"	23.996494
"716693"	609.475997	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H+Na"	23.996494
"1468324"	211.157497	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+Na"	23.996494
"1060477"	141.107423333333	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2H+Na"	25.00377
"1265436"	431.351986	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+CH3OH+H"	33.033486
"385103"	835.600158	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+K"	38.963158
"748291"	1233.918658	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+K"	38.963158
"1549247"	437.281658	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K"	38.963158
"305328"	418.303717	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H+K"	39.970434
"698844"	617.462967	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H+K"	39.970434
"1454855"	219.144467	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+K"	39.970434
"243454"	838.670826	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+ACN+H"	42.033826
"1219444"	440.352326	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+ACN+H"	42.033826
"1203329"	220.679801	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+ACN+2H"	43.041102
"196200"	841.60816	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2Na-H"	44.97116
"640135"	1239.92666	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2Na-H"	44.97116
"1141452"	443.28966	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2Na-H"	44.97116
"177085"	421.307718	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2Na"	45.978436
"614093"	620.466968	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2Na"	45.978436
"1117598"	222.148468	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2Na"	45.978436
"1400392"	148.434737333333	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+2Na"	46.985712
"1432507"	445.331246	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+HCOOH"	47.012746
"221841"	426.34074	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+3H2O+2H"	56.04448
"1510267"	459.38329	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+IsoProp+H"	61.06479
"408860"	429.294688	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Na+K"	61.952376
"770499"	628.453938	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+Na+K"	61.952376
"1666190"	230.135438	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na+K"	61.952376
"254903"	860.652768	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+ACN+Na"	64.015768
"1227610"	462.334268	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+ACN+Na"	64.015768
"1721972"	462.357793	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+NH4+HCOOH"	64.039293
"1187326"	155.762051333333	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+3Na"	68.967654
"1656132"	467.313188	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na+HCOOH"	68.994688
"165179"	873.55604	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2K-H"	76.91904
"610205"	1271.87454	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2K-H"	76.91904
"1094717"	475.23754	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2K-H"	76.91904
"143881"	437.281658	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2K"	77.926316
"585628"	636.440908	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2K"	77.926316
"1073419"	238.122408	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2K"	77.926316
"1103348"	477.252092	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2K+H"	78.933592
"1338273"	477.339707	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+DMSO+H"	79.021207
"1008262"	481.378876	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2ACN+H"	83.060376
"1527482"	482.372508	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+IsoProp+Na+H"	84.054008
"992472"	241.193076	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2ACN+2H"	84.067652
"1602416"	483.287128	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K+HCOOH"	84.968628
"1419571"	513.318638	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+CF3COOH"	115.000138
"1154233"	261.706351	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+3ACN+2H"	125.094202
"1708160"	530.345185	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+NH4+CF3COOH"	132.026685
"1647094"	535.30058	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na+CF3COOH"	136.98208
"1586022"	551.27452	"C21304"	"(25S)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K+CF3COOH"	152.95602
"806545"	398.3185	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M"	0
"974852"	379.30011	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H2O-H"	-19.01839
"66133"	264.538390666667	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-3H"	-3.021828
"504237"	397.311224	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-3H"	-3.021828
"892978"	131.765557333333	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-3H"	-3.021828
"8639"	397.311224	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H"	-2.014552
"444919"	596.470474	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H"	-2.014552
"830374"	198.151974	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H"	-2.014552
"89273"	795.629724	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-H"	-1.007276
"527743"	1193.948224	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-H"	-1.007276
"907729"	397.311224	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H"	-1.007276
"57737"	812.656271	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H+NH4"	16.019271
"496209"	1210.974771	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H+NH4"	16.019271
"874009"	414.337771	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H+NH4"	16.019271
"39723"	817.611666	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H+Na"	20.974666
"479282"	1215.930166	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H+Na"	20.974666
"849792"	419.293166	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H+Na"	20.974666
"1622242"	419.293166	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na-2H"	20.974666
"99134"	415.299563	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-H+Cl"	33.962126
"536507"	614.458813	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-H+Cl"	33.962126
"931845"	216.140313	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+Cl"	33.962126
"267849"	831.606402	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Cl"	34.969402
"667198"	1229.924902	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+Cl"	34.969402
"1278509"	433.287902	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl"	34.969402
"26534"	833.585606	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M-2H+K"	36.948606
"469383"	1231.904106	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M-2H+K"	36.948606
"843169"	435.267106	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-2H+K"	36.948606
"1570560"	435.267106	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K-2H"	36.948606
"958076"	443.316694	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+HCOOH"	44.998194
"376985"	841.635201	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+HCOOH-H"	44.998201
"361148"	855.650851	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Hac-H"	59.013851
"1508155"	457.332351	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Hac-H"	59.013851
"973876"	465.298651	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+NaCOOH"	66.980151
"125215"	433.287902	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2Cl"	69.938804
"565257"	632.447152	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2Cl"	69.938804
"1035026"	234.128652	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2Cl"	69.938804
"1254602"	477.237385	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Br"	78.918885
"1315956"	479.293372	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl+HCOOH"	80.974872
"1327257"	501.275329	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl+NaCOOH"	102.956829
"923417"	511.304086	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M-H+CF3COOH"	112.985586
"1299032"	547.280764	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Cl+CF3COOH"	148.962264
"1379015"	363.305824	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H-2H2O"	-35.012676
"1396514"	381.3158	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H-H2O"	-17.0027
"293648"	797.644276	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H"	1.007276
"679509"	1195.962776	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H"	1.007276
"1356949"	399.325776	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H"	1.007276
"129843"	399.325776	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2H"	2.014552
"569404"	598.485026	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2H"	2.014552
"1041486"	200.166526	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2H"	2.014552
"208657"	266.552942666667	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+3H"	3.021828
"646394"	399.325776	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+3H"	3.021828
"1164886"	133.780109333333	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+3H"	3.021828
"429251"	814.670823	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+NH4"	18.033823
"793528"	1212.989323	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+NH4"	18.033823
"1689859"	416.352323	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+NH4"	18.033823
"337042"	407.8390495	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H+NH4"	19.041099
"734936"	606.9982995	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H+NH4"	19.041099
"1490946"	208.6797995	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+NH4"	19.041099
"407682"	819.626218	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Na"	22.989218
"765153"	1217.944718	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+Na"	22.989218
"1611062"	421.307718	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na"	22.989218
"321097"	410.316747	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H+Na"	23.996494
"716803"	609.475997	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H+Na"	23.996494
"1467341"	211.157497	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+Na"	23.996494
"1059494"	141.107423333333	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2H+Na"	25.00377
"1265546"	431.351986	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+CH3OH+H"	33.033486
"385213"	835.600158	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+K"	38.963158
"746214"	1233.918658	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+K"	38.963158
"1546077"	437.281658	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K"	38.963158
"303249"	418.303717	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+H+K"	39.970434
"697131"	617.462967	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+H+K"	39.970434
"1450591"	219.144467	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+K"	39.970434
"242471"	838.670826	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+ACN+H"	42.033826
"1216273"	440.352326	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+ACN+H"	42.033826
"1203439"	220.679801	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+ACN+2H"	43.041102
"193394"	841.60816	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2Na-H"	44.97116
"635141"	1239.92666	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2Na-H"	44.97116
"1137916"	443.28966	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2Na-H"	44.97116
"176102"	421.307718	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2Na"	45.978436
"614567"	620.466968	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2Na"	45.978436
"1117708"	222.148468	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2Na"	45.978436
"1400137"	148.434737333333	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+2Na"	46.985712
"1431523"	445.331246	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+HCOOH"	47.012746
"221583"	426.34074	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+3H2O+2H"	56.04448
"1511106"	459.38329	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+IsoProp+H"	61.06479
"409333"	429.294688	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+Na+K"	61.952376
"771913"	628.453938	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+Na+K"	61.952376
"1667759"	230.135438	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na+K"	61.952376
"253551"	860.652768	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+ACN+Na"	64.015768
"1226053"	462.334268	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+ACN+Na"	64.015768
"1722082"	462.357793	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+NH4+HCOOH"	64.039293
"1184155"	155.762051333333	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+3Na"	68.967654
"1656241"	467.313188	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na+HCOOH"	68.994688
"165289"	873.55604	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2K-H"	76.91904
"609222"	1271.87454	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2K-H"	76.91904
"1094827"	475.23754	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2K-H"	76.91904
"144352"	437.281658	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"2M+2K"	77.926316
"586832"	636.440908	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"3M+2K"	77.926316
"1073529"	238.122408	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2K"	77.926316
"1102364"	477.252092	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2K+H"	78.933592
"1338020"	477.339707	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+DMSO+H"	79.021207
"1007279"	481.378876	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2ACN+H"	83.060376
"1526499"	482.372508	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+IsoProp+Na+H"	84.054008
"992218"	241.193076	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+2ACN+2H"	84.067652
"1600581"	483.287128	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K+HCOOH"	84.968628
"1425150"	513.318638	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+H+CF3COOH"	115.000138
"1156531"	261.706351	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+3ACN+2H"	125.094202
"1708270"	530.345185	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+NH4+CF3COOH"	132.026685
"1648297"	535.30058	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+Na+CF3COOH"	136.98208
"1586132"	551.27452	"C21305"	"(25R)-26-Oxocholest-4-en-3-one"	"C27H42O2"	"398.3185"	"M+K+CF3COOH"	152.95602
"806655"	522.9907	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M"	0
"975934"	503.97231	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H2O-H"	-19.01839
"65149"	347.653190666667	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-3H"	-3.021828
"504712"	521.983424	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-3H"	-3.021828
"892724"	173.322957333333	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-3H"	-3.021828
"8749"	521.983424	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H"	-2.014552
"446123"	783.478774	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H"	-2.014552
"830484"	260.488074	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H"	-2.014552
"88290"	1044.974124	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-H"	-1.007276
"527853"	1567.964824	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-H"	-1.007276
"906746"	521.983424	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H"	-1.007276
"57847"	1062.000671	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+NH4"	16.019271
"491940"	1584.991371	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+NH4"	16.019271
"875212"	539.009971	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+NH4"	16.019271
"39833"	1066.956066	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+Na"	20.974666
"478299"	1589.946766	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+Na"	20.974666
"848727"	543.965366	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+Na"	20.974666
"1622353"	543.965366	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na-2H"	20.974666
"104349"	539.971763	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-H+Cl"	33.962126
"539535"	801.467113	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-H+Cl"	33.962126
"933049"	278.476413	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+Cl"	33.962126
"270512"	1080.950802	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Cl"	34.969402
"665122"	1603.941502	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Cl"	34.969402
"1276432"	557.960102	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl"	34.969402
"23364"	1082.930006	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M-2H+K"	36.948606
"468765"	1605.920706	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M-2H+K"	36.948606
"844007"	559.939306	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-2H+K"	36.948606
"1570425"	559.939306	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K-2H"	36.948606
"957578"	567.988894	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+HCOOH"	44.998194
"375795"	1090.979601	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+HCOOH-H"	44.998201
"361096"	1104.995251	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Hac-H"	59.013851
"1507054"	582.004551	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Hac-H"	59.013851
"973263"	589.970851	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+NaCOOH"	66.980151
"125204"	557.960102	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Cl"	69.938804
"565453"	819.455452	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Cl"	69.938804
"1035504"	296.464752	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Cl"	69.938804
"1256702"	601.909585	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Br"	78.918885
"1316430"	603.965572	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+HCOOH"	80.974872
"1327367"	625.947529	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+NaCOOH"	102.956829
"922799"	635.976286	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M-H+CF3COOH"	112.985586
"1302060"	671.952964	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Cl+CF3COOH"	148.962264
"1380101"	487.978024	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H-2H2O"	-35.012676
"1396383"	505.988	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H-H2O"	-17.0027
"292663"	1046.988676	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H"	1.007276
"680712"	1569.979376	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H"	1.007276
"1361434"	523.997976	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H"	1.007276
"133233"	523.997976	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2H"	2.014552
"570607"	785.493326	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2H"	2.014552
"1041595"	262.502626	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2H"	2.014552
"209496"	349.667742666667	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+3H"	3.021828
"644679"	523.997976	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+3H"	3.021828
"1167182"	175.337509333333	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3H"	3.021828
"426079"	1064.015223	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+NH4"	18.033823
"794730"	1587.005923	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+NH4"	18.033823
"1691061"	541.024523	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4"	18.033823
"333873"	532.5112495	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+NH4"	19.041099
"732860"	794.0065995	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+NH4"	19.041099
"1484492"	271.0158995	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+NH4"	19.041099
"406820"	1068.970618	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Na"	22.989218
"765263"	1591.961318	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Na"	22.989218
"1611174"	545.979918	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na"	22.989218
"321209"	534.988947	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+Na"	23.996494
"721045"	796.484297	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+Na"	23.996494
"1468546"	273.493597	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+Na"	23.996494
"1059605"	182.664823333333	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2H+Na"	25.00377
"1267844"	556.024186	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+CH3OH+H"	33.033486
"385325"	1084.944558	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+K"	38.963158
"746323"	1607.935258	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+K"	38.963158
"1548375"	561.953858	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K"	38.963158
"303362"	542.975917	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+H+K"	39.970434
"697605"	804.471267	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+H+K"	39.970434
"1450697"	281.480567	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+K"	39.970434
"241123"	1088.015226	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+ACN+H"	42.033826
"1218571"	565.024526	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+H"	42.033826
"1203550"	283.015901	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+2H"	43.041102
"196420"	1090.95256	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Na-H"	44.97116
"635980"	1613.94326	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Na-H"	44.97116
"1137662"	567.96186	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Na-H"	44.97116
"177671"	545.979918	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2Na"	45.978436
"616135"	807.475268	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2Na"	45.978436
"1121101"	284.484568	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2Na"	45.978436
"1401710"	189.992137333333	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+2Na"	46.985712
"1433462"	570.003446	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+HCOOH"	47.012746
"223887"	551.01294	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+3H2O+2H"	56.04448
"1510492"	584.05549	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+IsoProp+H"	61.06479
"410177"	553.966888	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+Na+K"	61.952376
"776644"	815.462238	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+Na+K"	61.952376
"1672974"	292.471538	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+K"	61.952376
"258766"	1109.997168	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+ACN+Na"	64.015768
"1232206"	587.006468	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+ACN+Na"	64.015768
"1722192"	587.029993	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4+HCOOH"	64.039293
"1185359"	197.319451333333	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3Na"	68.967654
"1664004"	591.985388	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+HCOOH"	68.994688
"165399"	1122.90044	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2K-H"	76.91904
"609332"	1645.89114	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2K-H"	76.91904
"1093844"	599.90974	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K-H"	76.91904
"146288"	561.953858	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"2M+2K"	77.926316
"586942"	823.449208	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"3M+2K"	77.926316
"1073640"	300.458508	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K"	77.926316
"1104660"	601.924292	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2K+H"	78.933592
"1339953"	602.011907	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+DMSO+H"	79.021207
"1013949"	606.051076	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2ACN+H"	83.060376
"1527702"	607.044708	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+IsoProp+Na+H"	84.054008
"993422"	303.529176	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+2ACN+2H"	84.067652
"1591933"	607.959328	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K+HCOOH"	84.968628
"1428539"	637.990838	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+H+CF3COOH"	115.000138
"1157734"	324.042451	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+3ACN+2H"	125.094202
"1706193"	655.017385	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+NH4+CF3COOH"	132.026685
"1648407"	659.97278	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+Na+CF3COOH"	136.98208
"1586242"	675.94672	"C21310"	"(8S)-38-Cyclo-78-dihydroguanosine 5-triphosphate"	"C10H16N5O14P3"	"522.9907"	"M+K+CF3COOH"	152.95602
"806765"	131.0371	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M"	0
"979202"	112.01871	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-H2O-H"	-19.01839
"67809"	86.3507906666667	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M-3H"	-3.021828
"509195"	130.029824	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M-3H"	-3.021828
"893562"	42.6717573333333	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-3H"	-3.021828
"11046"	130.029824	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M-2H"	-2.014552
"447326"	195.548374	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M-2H"	-2.014552
"830594"	64.511274	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-2H"	-2.014552
"89493"	261.066924	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M-H"	-1.007276
"526871"	392.104024	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M-H"	-1.007276
"907949"	130.029824	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-H"	-1.007276
"57953"	278.093471	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M-2H+NH4"	16.019271
"499702"	409.130571	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M-2H+NH4"	16.019271
"875315"	147.056371	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-2H+NH4"	16.019271
"43588"	283.048866	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M-2H+Na"	20.974666
"478409"	414.085966	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M-2H+Na"	20.974666
"849155"	152.011766	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-2H+Na"	20.974666
"1622462"	152.011766	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Na-2H"	20.974666
"94859"	148.018163	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M-H+Cl"	33.962126
"536362"	213.536713	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M-H+Cl"	33.962126
"927811"	82.499613	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-H+Cl"	33.962126
"267947"	297.043602	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+Cl"	34.969402
"660605"	428.080702	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+Cl"	34.969402
"1275447"	166.006502	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Cl"	34.969402
"21284"	299.022806	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M-2H+K"	36.948606
"468868"	430.059906	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M-2H+K"	36.948606
"845210"	167.985706	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-2H+K"	36.948606
"1571025"	167.985706	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+K-2H"	36.948606
"957692"	176.035294	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-H+HCOOH"	44.998194
"376760"	307.072401	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+HCOOH-H"	44.998201
"360519"	321.088051	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+Hac-H"	59.013851
"1508428"	190.050951	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Hac-H"	59.013851
"973856"	198.017251	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-H+NaCOOH"	66.980151
"125397"	166.006502	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+2Cl"	69.938804
"565239"	231.525052	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+2Cl"	69.938804
"1035857"	100.487952	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2Cl"	69.938804
"1256284"	209.955985	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Br"	78.918885
"1314719"	212.011972	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Cl+HCOOH"	80.974872
"1327477"	233.993929	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Cl+NaCOOH"	102.956829
"920721"	244.022686	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M-H+CF3COOH"	112.985586
"1302170"	279.999364	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Cl+CF3COOH"	148.962264
"1379967"	96.024424	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H-2H2O"	-35.012676
"1396735"	114.0344	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H-H2O"	-17.0027
"292410"	263.081476	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+H"	1.007276
"680822"	394.118576	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+H"	1.007276
"1358265"	132.044376	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H"	1.007276
"132979"	132.044376	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+2H"	2.014552
"570717"	197.562926	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+2H"	2.014552
"1041705"	66.525826	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2H"	2.014552
"212887"	88.3653426666667	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+3H"	3.021828
"645886"	132.044376	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+3H"	3.021828
"1164133"	44.6863093333333	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+3H"	3.021828
"424731"	280.108023	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+NH4"	18.033823
"791559"	411.145123	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+NH4"	18.033823
"1690078"	149.070923	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+NH4"	18.033823
"331188"	140.5576495	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+H+NH4"	19.041099
"734062"	206.0761995	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+H+NH4"	19.041099
"1485695"	75.0390995	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H+NH4"	19.041099
"408229"	285.063418	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+Na"	22.989218
"764279"	416.100518	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+Na"	22.989218
"1614563"	154.026318	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Na"	22.989218
"322412"	143.035347	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+H+Na"	23.996494
"715929"	208.553897	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+H+Na"	23.996494
"1469749"	77.516797	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H+Na"	23.996494
"1058621"	52.0136233333333	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2H+Na"	25.00377
"1266860"	164.070586	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+CH3OH+H"	33.033486
"382153"	301.037358	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+K"	38.963158
"748619"	432.074458	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+K"	38.963158
"1546298"	170.000258	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+K"	38.963158
"307848"	151.022317	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+H+K"	39.970434
"698081"	216.540867	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+H+K"	39.970434
"1450809"	85.503767	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H+K"	39.970434
"241233"	304.108026	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+ACN+H"	42.033826
"1216495"	173.070926	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+ACN+H"	42.033826
"1202566"	87.039101	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+ACN+2H"	43.041102
"195437"	307.04536	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+2Na-H"	44.97116
"634997"	438.08246	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+2Na-H"	44.97116
"1137772"	176.00826	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2Na-H"	44.97116
"177053"	154.026318	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+2Na"	45.978436
"615518"	219.544868	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+2Na"	45.978436
"1118293"	88.507768	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2Na"	45.978436
"1400722"	59.3409373333333	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H+2Na"	46.985712
"1433572"	178.049846	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H+HCOOH"	47.012746
"222900"	159.05934	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+3H2O+2H"	56.04448
"1511329"	192.10189	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+IsoProp+H"	61.06479
"410654"	162.013288	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+Na+K"	61.952376
"776025"	227.531838	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+Na+K"	61.952376
"1672356"	96.494738	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Na+K"	61.952376
"258876"	326.089968	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+ACN+Na"	64.015768
"1230493"	195.052868	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+ACN+Na"	64.015768
"1716831"	195.076393	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+NH4+HCOOH"	64.039293
"1184372"	66.6682513333333	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+3Na"	68.967654
"1664359"	200.031788	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Na+HCOOH"	68.994688
"162229"	338.99324	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+2K-H"	76.91904
"607255"	470.03034	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+2K-H"	76.91904
"1096141"	207.95614	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2K-H"	76.91904
"147491"	170.000258	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"2M+2K"	77.926316
"587052"	235.518808	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"3M+2K"	77.926316
"1072655"	104.481708	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2K"	77.926316
"1104770"	209.970692	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2K+H"	78.933592
"1341156"	210.058307	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+DMSO+H"	79.021207
"1014059"	214.097476	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2ACN+H"	83.060376
"1528905"	215.091108	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+IsoProp+Na+H"	84.054008
"994259"	107.552376	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+2ACN+2H"	84.067652
"1590950"	216.005728	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+K+HCOOH"	84.968628
"1428649"	246.037238	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+H+CF3COOH"	115.000138
"1156751"	128.065651	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+3ACN+2H"	125.094202
"1708490"	263.063785	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+NH4+CF3COOH"	132.026685
"1648882"	268.01918	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+Na+CF3COOH"	136.98208
"1586352"	283.99312	"C21329"	"Benzoyl cyanide;Benzoyl nitrile"	"C8H5NO"	"131.0371"	"M+K+CF3COOH"	152.95602
"806875"	379.2511	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M"	0
"977126"	360.23271	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-H2O-H"	-19.01839
"65369"	251.826790666667	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M-3H"	-3.021828
"508212"	378.243824	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M-3H"	-3.021828
"893308"	125.409757333333	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-3H"	-3.021828
"11157"	378.243824	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M-2H"	-2.014552
"450353"	567.869374	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M-2H"	-2.014552
"830340"	188.618274	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-2H"	-2.014552
"91791"	757.494924	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M-H"	-1.007276
"525887"	1136.746024	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M-H"	-1.007276
"904779"	378.243824	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-H"	-1.007276
"58063"	774.521471	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M-2H+NH4"	16.019271
"497625"	1153.772571	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M-2H+NH4"	16.019271
"874332"	395.270371	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-2H+NH4"	16.019271
"36767"	779.476866	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M-2H+Na"	20.974666
"481795"	1158.727966	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M-2H+Na"	20.974666
"851944"	400.225766	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-2H+Na"	20.974666
"1622572"	400.225766	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Na-2H"	20.974666
"95211"	396.232163	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M-H+Cl"	33.962126
"534807"	585.857713	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M-H+Cl"	33.962126
"927672"	206.606613	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-H+Cl"	33.962126
"267694"	793.471602	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+Cl"	34.969402
"660593"	1172.722702	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+Cl"	34.969402
"1273242"	414.220502	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Cl"	34.969402
"21394"	795.450806	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M-2H+K"	36.948606
"468978"	1174.701906	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M-2H+K"	36.948606
"845320"	416.199706	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-2H+K"	36.948606
"1570162"	416.199706	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+K-2H"	36.948606
"957679"	424.249294	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-H+HCOOH"	44.998194
"376627"	803.500401	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+HCOOH-H"	44.998201
"361114"	817.516051	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+Hac-H"	59.013851
"1508125"	438.264951	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Hac-H"	59.013851
"973847"	446.231251	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-H+NaCOOH"	66.980151
"125180"	414.220502	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+2Cl"	69.938804
"565225"	603.846052	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+2Cl"	69.938804
"1035358"	224.594952	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2Cl"	69.938804
"1256029"	458.169985	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Br"	78.918885
"1315922"	460.225972	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Cl+HCOOH"	80.974872
"1326493"	482.207929	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Cl+NaCOOH"	102.956829
"918644"	492.236686	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M-H+CF3COOH"	112.985586
"1300457"	528.213364	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Cl+CF3COOH"	148.962264
"1378253"	344.238424	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H-2H2O"	-35.012676
"1395751"	362.2484	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H-H2O"	-17.0027
"290697"	759.509476	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+H"	1.007276
"679839"	1138.760576	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+H"	1.007276
"1358375"	380.258376	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H"	1.007276
"133090"	380.258376	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+2H"	2.014552
"569734"	569.883926	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+2H"	2.014552
"1039628"	190.632826	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2H"	2.014552
"212997"	253.841342666667	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+3H"	3.021828
"649276"	380.258376	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+3H"	3.021828
"1164122"	127.424309333333	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+3H"	3.021828
"424288"	776.536023	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+NH4"	18.033823
"791669"	1155.787123	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+NH4"	18.033823
"1690188"	397.284923	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+NH4"	18.033823
"330813"	388.7716495	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+H+NH4"	19.041099
"734172"	578.3971995	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+H+NH4"	19.041099
"1485805"	199.1460995	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H+NH4"	19.041099
"408012"	781.491418	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+Na"	22.989218
"764389"	1160.742518	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+Na"	22.989218
"1614673"	402.240318	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Na"	22.989218
"322522"	391.249347	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+H+Na"	23.996494
"716039"	580.874897	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+H+Na"	23.996494
"1469859"	201.623797	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H+Na"	23.996494
"1057636"	134.751623333333	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2H+Na"	25.00377
"1264783"	412.284586	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+CH3OH+H"	33.033486
"384451"	797.465358	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+K"	38.963158
"746540"	1176.716458	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+K"	38.963158
"1548594"	418.214258	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+K"	38.963158
"305771"	399.236317	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+H+K"	39.970434
"698192"	588.861867	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+H+K"	39.970434
"1449096"	209.610767	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H+K"	39.970434
"241706"	800.536026	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+ACN+H"	42.033826
"1214418"	421.284926	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+ACN+H"	42.033826
"1201582"	211.146101	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+ACN+2H"	43.041102
"192267"	803.47336	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+2Na-H"	44.97116
"635107"	1182.72446	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+2Na-H"	44.97116
"1136426"	424.22226	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2Na-H"	44.97116
"176436"	402.240318	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+2Na"	45.978436
"614896"	591.865868	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+2Na"	45.978436
"1118766"	212.614768	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2Na"	45.978436
"1399855"	142.078937333333	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H+2Na"	46.985712
"1432343"	426.263846	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H+HCOOH"	47.012746
"223743"	407.27334	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+3H2O+2H"	56.04448
"1511072"	440.31589	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+IsoProp+H"	61.06479
"411858"	410.227288	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+Na+K"	61.952376
"776866"	599.852838	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+Na+K"	61.952376
"1672103"	220.601738	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Na+K"	61.952376
"258624"	822.517968	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+ACN+Na"	64.015768
"1231333"	443.266868	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+ACN+Na"	64.015768
"1716941"	443.290393	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+NH4+HCOOH"	64.039293
"1183389"	149.406251333333	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+3Na"	68.967654
"1662767"	448.245788	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Na+HCOOH"	68.994688
"168898"	835.42124	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+2K-H"	76.91904
"606271"	1214.67234	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+2K-H"	76.91904
"1094063"	456.17014	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2K-H"	76.91904
"145414"	418.214258	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"2M+2K"	77.926316
"587162"	607.839808	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"3M+2K"	77.926316
"1072764"	228.588708	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2K"	77.926316
"1104879"	458.184692	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2K+H"	78.933592
"1339443"	458.272307	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+DMSO+H"	79.021207
"1010888"	462.311476	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2ACN+H"	83.060376
"1529015"	463.305108	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+IsoProp+Na+H"	84.054008
"992180"	231.659376	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+2ACN+2H"	84.067652
"1592153"	464.219728	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+K+HCOOH"	84.968628
"1428759"	494.251238	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+H+CF3COOH"	115.000138
"1155768"	252.172651	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+3ACN+2H"	125.094202
"1708600"	511.277785	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+NH4+CF3COOH"	132.026685
"1649600"	516.23318	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+Na+CF3COOH"	136.98208
"1586462"	532.20712	"C21330"	"Aurachin C"	"C25H33NO2"	"379.2511"	"M+K+CF3COOH"	152.95602
"806985"	395.246	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M"	0
"975049"	376.22761	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-H2O-H"	-19.01839
"63371"	262.490057333333	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M-3H"	-3.021828
"507229"	394.238724	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M-3H"	-3.021828
"894511"	130.741390666667	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-3H"	-3.021828
"6893"	394.238724	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M-2H"	-2.014552
"449733"	591.861724	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M-2H"	-2.014552
"829721"	196.615724	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-2H"	-2.014552
"92750"	789.484724	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M-H"	-1.007276
"527088"	1184.730724	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M-H"	-1.007276
"902702"	394.238724	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-H"	-1.007276
"53798"	806.511271	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M-2H+NH4"	16.019271
"497371"	1201.757271	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M-2H+NH4"	16.019271
"874442"	411.265271	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-2H+NH4"	16.019271
"36877"	811.466666	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M-2H+Na"	20.974666
"480812"	1206.712666	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M-2H+Na"	20.974666
"849988"	416.220666	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-2H+Na"	20.974666
"1620617"	416.220666	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Na-2H"	20.974666
"94393"	412.227063	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M-H+Cl"	33.962126
"534359"	609.850063	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M-H+Cl"	33.962126
"928031"	214.604063	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-H+Cl"	33.962126
"268655"	825.461402	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+Cl"	34.969402
"660381"	1220.707402	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+Cl"	34.969402
"1273107"	430.215402	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Cl"	34.969402
"19317"	827.440606	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M-2H+K"	36.948606
"465441"	1222.686606	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M-2H+K"	36.948606
"844337"	432.194606	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-2H+K"	36.948606
"1568921"	432.194606	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+K-2H"	36.948606
"955712"	440.244194	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-H+HCOOH"	44.998194
"375753"	835.490201	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+HCOOH-H"	44.998201
"359641"	849.505851	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+Hac-H"	59.013851
"1505922"	454.259851	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Hac-H"	59.013851
"973831"	462.226151	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-H+NaCOOH"	66.980151
"125046"	430.215402	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+2Cl"	69.938804
"565457"	627.838402	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+2Cl"	69.938804
"1033280"	232.592402	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2Cl"	69.938804
"1255044"	474.164885	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Br"	78.918885
"1317857"	476.220872	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Cl+HCOOH"	80.974872
"1327697"	498.202829	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Cl+NaCOOH"	102.956829
"923857"	508.231586	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M-H+CF3COOH"	112.985586
"1302026"	544.208264	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Cl+CF3COOH"	148.962264
"1379821"	360.233324	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H-2H2O"	-35.012676
"1394768"	378.2433	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H-H2O"	-17.0027
"293723"	791.499276	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+H"	1.007276
"679949"	1186.745276	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+H"	1.007276
"1359578"	396.253276	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H"	1.007276
"135388"	396.253276	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+2H"	2.014552
"574219"	593.876276	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+2H"	2.014552
"1041925"	198.630276	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2H"	2.014552
"213837"	264.504609333333	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+3H"	3.021828
"651573"	396.253276	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+3H"	3.021828
"1164353"	132.755942666667	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+3H"	3.021828
"427504"	808.525823	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+NH4"	18.033823
"793966"	1203.771823	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+NH4"	18.033823
"1688110"	413.279823	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+NH4"	18.033823
"330557"	404.7665495	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+H+NH4"	19.041099
"723016"	602.3895495	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+H+NH4"	19.041099
"1477409"	207.1435495	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H+NH4"	19.041099
"393415"	813.481218	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+Na"	22.989218
"755019"	1208.727218	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+Na"	22.989218
"1609314"	418.235218	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Na"	22.989218
"321537"	407.244247	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+H+Na"	23.996494
"713960"	604.867247	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+H+Na"	23.996494
"1466687"	209.621247	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H+Na"	23.996494
"1056652"	140.083256666667	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2H+Na"	25.00377
"1259424"	428.279486	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+CH3OH+H"	33.033486
"383466"	829.455158	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+K"	38.963158
"743369"	1224.701158	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+K"	38.963158
"1544331"	434.209158	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+K"	38.963158
"301873"	415.231217	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+H+K"	39.970434
"694657"	612.854217	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+H+K"	39.970434
"1448842"	217.608217	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H+K"	39.970434
"239265"	832.525826	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+ACN+H"	42.033826
"1217809"	437.279826	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+ACN+H"	42.033826
"1201693"	219.143551	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+ACN+2H"	43.041102
"197844"	835.46316	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+2Na-H"	44.97116
"636311"	1230.70916	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+2Na-H"	44.97116
"1136537"	440.21716	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2Na-H"	44.97116
"176547"	418.235218	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+2Na"	45.978436
"616466"	615.858218	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+2Na"	45.978436
"1119000"	220.612218	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2Na"	45.978436
"1401308"	147.410570666667	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H+2Na"	46.985712
"1436345"	442.258746	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H+HCOOH"	47.012746
"223853"	423.26824	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+3H2O+2H"	56.04448
"1511914"	456.31079	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+IsoProp+H"	61.06479
"409092"	426.222188	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+Na+K"	61.952376
"779163"	623.845188	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+Na+K"	61.952376
"1673306"	228.599188	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Na+K"	61.952376
"260921"	854.507768	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+ACN+Na"	64.015768
"1230351"	459.261768	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+ACN+Na"	64.015768
"1715592"	459.285293	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+NH4+HCOOH"	64.039293
"1184592"	154.737884666667	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+3Na"	68.967654
"1655585"	464.240688	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Na+HCOOH"	68.994688
"160989"	867.41104	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+2K-H"	76.91904
"606381"	1262.65704	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+2K-H"	76.91904
"1093080"	472.16504	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2K-H"	76.91904
"143697"	434.209158	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"2M+2K"	77.926316
"582042"	631.832158	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"3M+2K"	77.926316
"1068780"	236.586158	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2K"	77.926316
"1102802"	474.179592	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2K+H"	78.933592
"1336637"	474.267207	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+DMSO+H"	79.021207
"1012090"	478.306376	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2ACN+H"	83.060376
"1526934"	479.300008	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+IsoProp+Na+H"	84.054008
"994479"	239.656826	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+2ACN+2H"	84.067652
"1587524"	480.214628	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+K+HCOOH"	84.968628
"1428505"	510.246138	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+H+CF3COOH"	115.000138
"1155878"	260.170101	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+3ACN+2H"	125.094202
"1708710"	527.272685	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+NH4+CF3COOH"	132.026685
"1649468"	532.22808	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+Na+CF3COOH"	136.98208
"1586572"	548.20202	"C21331"	"Aurachin C epoxide;2-Hydroxy-1a-methyl-7a-(2E6E)-farnesyl-1a2-dihydrooxireno23-bquinolin-7(7aH)-one"	"C25H33NO3"	"395.246"	"M+K+CF3COOH"	152.95602
"807095"	236.0532	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M"	0
"977345"	217.03481	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-H2O-H"	-19.01839
"65589"	156.361524	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M-3H"	-3.021828
"507339"	235.045924	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M-3H"	-3.021828
"893892"	77.677124	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-3H"	-3.021828
"9190"	235.045924	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M-2H"	-2.014552
"449844"	353.072524	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M-2H"	-2.014552
"828739"	117.019324	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-2H"	-2.014552
"89096"	471.099124	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M-H"	-1.007276
"523917"	707.152324	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M-H"	-1.007276
"904998"	235.045924	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-H"	-1.007276
"47711"	488.125671	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M-2H+NH4"	16.019271
"488122"	724.178871	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M-2H+NH4"	16.019271
"865924"	252.072471	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-2H+NH4"	16.019271
"36987"	493.081066	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M-2H+Na"	20.974666
"474359"	729.134266	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M-2H+Na"	20.974666
"849977"	257.027866	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-2H+Na"	20.974666
"1621699"	257.027866	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Na-2H"	20.974666
"94609"	253.034263	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M-H+Cl"	33.962126
"534495"	371.060863	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M-H+Cl"	33.962126
"928022"	135.007663	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-H+Cl"	33.962126
"267793"	507.075802	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+Cl"	34.969402
"660328"	743.129002	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+Cl"	34.969402
"1272846"	271.022602	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Cl"	34.969402
"23802"	509.055006	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M-2H+K"	36.948606
"465551"	745.108206	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M-2H+K"	36.948606
"843721"	273.001806	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-2H+K"	36.948606
"1569031"	273.001806	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+K-2H"	36.948606
"955456"	281.051394	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-H+HCOOH"	44.998194
"375986"	517.104601	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+HCOOH-H"	44.998201
"358651"	531.120251	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+Hac-H"	59.013851
"1506763"	295.067051	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Hac-H"	59.013851
"972117"	303.033351	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-H+NaCOOH"	66.980151
"124791"	271.022602	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+2Cl"	69.938804
"564230"	389.049202	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+2Cl"	69.938804
"1036675"	152.996002	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2Cl"	69.938804
"1255885"	314.972085	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Br"	78.918885
"1318330"	317.028072	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Cl+HCOOH"	80.974872
"1334733"	339.010029	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Cl+NaCOOH"	102.956829
"923239"	349.038786	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M-H+CF3COOH"	112.985586
"1299949"	385.015464	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Cl+CF3COOH"	148.962264
"1378111"	201.040524	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H-2H2O"	-35.012676
"1395609"	219.0505	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H-H2O"	-17.0027
"293473"	473.113676	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+H"	1.007276
"683339"	709.166876	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+H"	1.007276
"1360782"	237.060476	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H"	1.007276
"133674"	237.060476	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+2H"	2.014552
"574328"	355.087076	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+2H"	2.014552
"1044222"	119.033876	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2H"	2.014552
"213584"	158.376076	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+3H"	3.021828
"649496"	237.060476	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+3H"	3.021828
"1167623"	79.691676	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+3H"	3.021828
"433083"	490.140223	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+NH4"	18.033823
"791891"	726.193423	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+NH4"	18.033823
"1688222"	254.087023	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+NH4"	18.033823
"337592"	245.5737495	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+H+NH4"	19.041099
"724550"	363.6003495	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+H+NH4"	19.041099
"1477762"	127.5471495	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H+NH4"	19.041099
"399237"	495.095618	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+Na"	22.989218
"766794"	731.148818	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+Na"	22.989218
"1610518"	259.042418	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Na"	22.989218
"321648"	248.051447	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+H+Na"	23.996494
"715165"	366.078047	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+H+Na"	23.996494
"1468985"	130.024847	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H+Na"	23.996494
"1058951"	87.01899	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2H+Na"	25.00377
"1262816"	269.086686	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+CH3OH+H"	33.033486
"384671"	511.069558	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+K"	38.963158
"744573"	747.122758	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+K"	38.963158
"1544444"	275.016358	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+K"	38.963158
"303077"	256.038417	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+H+K"	39.970434
"694040"	374.065017	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+H+K"	39.970434
"1450410"	138.011817	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H+K"	39.970434
"243022"	514.140226	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+ACN+H"	42.033826
"1219012"	278.087026	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+ACN+H"	42.033826
"1203990"	139.547151	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+ACN+2H"	43.041102
"199048"	517.07756	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+2Na-H"	44.97116
"636422"	753.13076	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+2Na-H"	44.97116
"1134462"	281.02436	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2Na-H"	44.97116
"179939"	259.042418	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+2Na"	45.978436
"622776"	377.069018	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+2Na"	45.978436
"1126282"	141.015818	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2Na"	45.978436
"1404338"	94.346304	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H+2Na"	46.985712
"1438643"	283.065946	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H+HCOOH"	47.012746
"229433"	264.07544	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+3H2O+2H"	56.04448
"1513121"	297.11799	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+IsoProp+H"	61.06479
"414997"	267.029388	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+Na+K"	61.952376
"777086"	385.055988	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+Na+K"	61.952376
"1673416"	149.002788	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Na+K"	61.952376
"264314"	536.122168	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+ACN+Na"	64.015768
"1238481"	300.068968	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+ACN+Na"	64.015768
"1717161"	300.092493	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+NH4+HCOOH"	64.039293
"1182514"	101.673618	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+3Na"	68.967654
"1656789"	305.047888	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Na+HCOOH"	68.994688
"164743"	549.02544	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+2K-H"	76.91904
"606491"	785.07864	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+2K-H"	76.91904
"1099150"	312.97224	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2K-H"	76.91904
"145630"	275.016358	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"2M+2K"	77.926316
"585193"	393.042958	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"3M+2K"	77.926316
"1070796"	156.989758	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2K"	77.926316
"1100727"	314.986792	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2K+H"	78.933592
"1339301"	315.074407	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+DMSO+H"	79.021207
"1008924"	319.113576	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2ACN+H"	83.060376
"1524861"	320.107208	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+IsoProp+Na+H"	84.054008
"992404"	160.060426	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+2ACN+2H"	84.067652
"1590188"	321.021828	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+K+HCOOH"	84.968628
"1421322"	351.053338	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+H+CF3COOH"	115.000138
"1157078"	180.573701	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+3ACN+2H"	125.094202
"1704442"	368.079885	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+NH4+CF3COOH"	132.026685
"1649579"	373.03528	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+Na+CF3COOH"	136.98208
"1586682"	389.00922	"C21332"	"8-Dehydro-3-deoxy-D-manno-octulosonate;38-Dideoxy-8-oxo-D-manno-octulosonate"	"C8H12O8"	"236.0532"	"M+K+CF3COOH"	152.95602
"807205"	237.0849	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M"	0
"976362"	218.06651	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-H2O-H"	-19.01839
"66062"	157.049324	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M-3H"	-3.021828
"509635"	236.077624	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M-3H"	-3.021828
"887440"	78.021024	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-3H"	-3.021828
"9300"	236.077624	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M-2H"	-2.014552
"452141"	354.620074	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M-2H"	-2.014552
"827757"	117.535174	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-2H"	-2.014552
"88842"	473.162524	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M-H"	-1.007276
"524027"	710.247424	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M-H"	-1.007276
"905109"	236.077624	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-H"	-1.007276
"47700"	490.189071	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M-2H+NH4"	16.019271
"488232"	727.273971	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M-2H+NH4"	16.019271
"865183"	253.104171	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-2H+NH4"	16.019271
"37097"	495.144466	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M-2H+Na"	20.974666
"474469"	732.229366	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M-2H+Na"	20.974666
"850087"	258.059566	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-2H+Na"	20.974666
"1622902"	258.059566	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Na-2H"	20.974666
"94929"	254.065963	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M-H+Cl"	33.962126
"534774"	372.608413	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M-H+Cl"	33.962126
"928132"	135.523513	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-H+Cl"	33.962126
"268024"	509.139202	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+Cl"	34.969402
"661290"	746.224102	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+Cl"	34.969402
"1273447"	272.054302	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Cl"	34.969402
"25005"	511.118406	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M-2H+K"	36.948606
"466756"	748.203306	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M-2H+K"	36.948606
"847110"	274.033506	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-2H+K"	36.948606
"1567682"	274.033506	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+K-2H"	36.948606
"952649"	282.083094	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-H+HCOOH"	44.998194
"376217"	519.168001	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+HCOOH-H"	44.998201
"360222"	533.183651	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+Hac-H"	59.013851
"1506504"	296.098751	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Hac-H"	59.013851
"971864"	304.065051	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-H+NaCOOH"	66.980151
"123686"	272.054302	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+2Cl"	69.938804
"563611"	390.596752	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+2Cl"	69.938804
"1036056"	153.511852	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2Cl"	69.938804
"1254901"	316.003785	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Br"	78.918885
"1319171"	318.059772	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Cl+HCOOH"	80.974872
"1334605"	340.041729	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Cl+NaCOOH"	102.956829
"924809"	350.070486	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M-H+CF3COOH"	112.985586
"1302248"	386.047164	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Cl+CF3COOH"	148.962264
"1380408"	202.072224	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H-2H2O"	-35.012676
"1397420"	220.0822	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H-H2O"	-17.0027
"296498"	475.177076	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+H"	1.007276
"682356"	712.261976	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+H"	1.007276
"1362713"	238.092176	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H"	1.007276
"133420"	238.092176	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+2H"	2.014552
"577354"	356.634626	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+2H"	2.014552
"1044332"	119.549726	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2H"	2.014552
"214422"	159.063876	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+3H"	3.021828
"648513"	238.092176	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+3H"	3.021828
"1167733"	80.035576	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+3H"	3.021828
"433193"	492.203623	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+NH4"	18.033823
"792001"	729.288523	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+NH4"	18.033823
"1682256"	255.118723	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+NH4"	18.033823
"337702"	246.6054495	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+H+NH4"	19.041099
"724660"	365.1478995	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+H+NH4"	19.041099
"1478480"	128.0629995	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H+NH4"	19.041099
"400440"	497.159018	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+Na"	22.989218
"764717"	734.243918	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+Na"	22.989218
"1607348"	260.074118	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Na"	22.989218
"321758"	249.083147	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+H+Na"	23.996494
"714181"	367.625597	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+H+Na"	23.996494
"1469095"	130.540697	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H+Na"	23.996494
"1062340"	87.36289	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2H+Na"	25.00377
"1265112"	270.118386	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+CH3OH+H"	33.033486
"386967"	513.132958	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+K"	38.963158
"747965"	750.217858	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+K"	38.963158
"1547830"	276.048058	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+K"	38.963158
"307196"	257.070117	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+H+K"	39.970434
"701806"	375.612567	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+H+K"	39.970434
"1452341"	138.527667	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H+K"	39.970434
"243129"	516.203626	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+ACN+H"	42.033826
"1221308"	279.118726	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+ACN+H"	42.033826
"1204099"	140.063001	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+ACN+2H"	43.041102
"199158"	519.14096	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+2Na-H"	44.97116
"640905"	756.22586	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+2Na-H"	44.97116
"1134572"	282.05606	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2Na-H"	44.97116
"176769"	260.074118	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+2Na"	45.978436
"620699"	378.616568	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+2Na"	45.978436
"1126392"	141.531668	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2Na"	45.978436
"1401168"	94.690204	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H+2Na"	46.985712
"1438753"	284.097646	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H+HCOOH"	47.012746
"227356"	265.10714	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+3H2O+2H"	56.04448
"1516512"	298.14969	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+IsoProp+H"	61.06479
"414013"	268.061088	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+Na+K"	61.952376
"773916"	386.603538	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+Na+K"	61.952376
"1673526"	149.518638	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Na+K"	61.952376
"265517"	538.185568	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+ACN+Na"	64.015768
"1234946"	301.100668	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+ACN+Na"	64.015768
"1725655"	301.124193	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+NH4+HCOOH"	64.039293
"1191375"	102.017518	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+3Na"	68.967654
"1659085"	306.079588	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Na+HCOOH"	68.994688
"168132"	551.08884	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+2K-H"	76.91904
"609880"	788.17374	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+2K-H"	76.91904
"1097674"	314.00394	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2K-H"	76.91904
"150116"	276.048058	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"2M+2K"	77.926316
"590771"	394.590508	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"3M+2K"	77.926316
"1070907"	157.505608	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2K"	77.926316
"1103024"	316.018492	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2K+H"	78.933592
"1340504"	316.106107	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+DMSO+H"	79.021207
"1009032"	320.145276	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2ACN+H"	83.060376
"1527158"	321.138908	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+IsoProp+Na+H"	84.054008
"992514"	160.576276	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+2ACN+2H"	84.067652
"1588110"	322.053528	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+K+HCOOH"	84.968628
"1420339"	352.085038	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+H+CF3COOH"	115.000138
"1159375"	181.089551	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+3ACN+2H"	125.094202
"1704552"	369.111585	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+NH4+CF3COOH"	132.026685
"1649687"	374.06698	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+Na+CF3COOH"	136.98208
"1586792"	390.04092	"C21333"	"8-Amino-38-dideoxy-D-manno-octulosonate;Kdo8N"	"C8H15NO7"	"237.0849"	"M+K+CF3COOH"	152.95602
"811691"	542.1261	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M"	0
"978662"	523.10771	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-H2O-H"	-19.01839
"71280"	360.410124	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M-3H"	-3.021828
"513028"	541.118824	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M-3H"	-3.021828
"887550"	179.701424	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-3H"	-3.021828
"12327"	541.118824	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M-2H"	-2.014552
"454074"	812.181874	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M-2H"	-2.014552
"830177"	270.055774	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-2H"	-2.014552
"90413"	1083.244924	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M-H"	-1.007276
"530699"	1625.371024	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M-H"	-1.007276
"908499"	541.118824	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-H"	-1.007276
"50848"	1100.271471	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M-2H+NH4"	16.019271
"498062"	1642.397571	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M-2H+NH4"	16.019271
"875865"	558.145371	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-2H+NH4"	16.019271
"42674"	1105.226866	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M-2H+Na"	20.974666
"481139"	1647.352966	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M-2H+Na"	20.974666
"858946"	563.100766	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-2H+Na"	20.974666
"1619732"	563.100766	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Na-2H"	20.974666
"97352"	559.107163	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M-H+Cl"	33.962126
"538006"	830.170213	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M-H+Cl"	33.962126
"933709"	288.044113	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-H+Cl"	33.962126
"270077"	1119.221602	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+Cl"	34.969402
"660432"	1661.347702	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+Cl"	34.969402
"1273564"	577.095502	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Cl"	34.969402
"18554"	1121.200806	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M-2H+K"	36.948606
"459208"	1663.326906	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M-2H+K"	36.948606
"845032"	579.074706	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-2H+K"	36.948606
"1565971"	579.074706	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+K-2H"	36.948606
"951666"	587.124294	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-H+HCOOH"	44.998194
"375353"	1129.250401	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+HCOOH-H"	44.998201
"358141"	1143.266051	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+Hac-H"	59.013851
"1506979"	601.139951	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Hac-H"	59.013851
"973432"	609.106251	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-H+NaCOOH"	66.980151
"124892"	577.095502	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+2Cl"	69.938804
"564813"	848.158552	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+2Cl"	69.938804
"1036531"	306.032452	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2Cl"	69.938804
"1255743"	621.044985	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Br"	78.918885
"1319690"	623.100972	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Cl+HCOOH"	80.974872
"1335591"	645.082929	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Cl+NaCOOH"	102.956829
"926704"	655.111686	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M-H+CF3COOH"	112.985586
"1302358"	691.088364	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Cl+CF3COOH"	148.962264
"1381856"	507.113424	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H-2H2O"	-35.012676
"1398422"	525.1234	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H-H2O"	-17.0027
"296973"	1085.259476	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+H"	1.007276
"689392"	1627.385576	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+H"	1.007276
"1366107"	543.133376	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H"	1.007276
"131707"	543.133376	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+2H"	2.014552
"574548"	814.196426	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+2H"	2.014552
"1047359"	272.070326	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2H"	2.014552
"214532"	362.424676	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+3H"	3.021828
"655185"	543.133376	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+3H"	3.021828
"1174404"	181.715976	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+3H"	3.021828
"433303"	1102.286023	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+NH4"	18.033823
"794298"	1644.412123	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+NH4"	18.033823
"1685162"	560.159923	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+NH4"	18.033823
"337814"	551.6466495	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+H+NH4"	19.041099
"728053"	822.7096995	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+H+NH4"	19.041099
"1479685"	280.5835995	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H+NH4"	19.041099
"406020"	1107.241418	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+Na"	22.989218
"769857"	1649.367518	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+Na"	22.989218
"1614020"	565.115318	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Na"	22.989218
"322963"	554.124347	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+H+Na"	23.996494
"711012"	825.187397	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+H+Na"	23.996494
"1470299"	283.061297	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H+Na"	23.996494
"1066583"	189.04329	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2H+Na"	25.00377
"1268504"	575.159586	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+CH3OH+H"	33.033486
"390358"	1123.215358	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+K"	38.963158
"748075"	1665.341458	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+K"	38.963158
"1551951"	581.089258	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+K"	38.963158
"310588"	562.111317	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+H+K"	39.970434
"705196"	833.174367	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+H+K"	39.970434
"1457922"	291.048267	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H+K"	39.970434
"249802"	1126.286026	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+ACN+H"	42.033826
"1223606"	584.159926	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+ACN+H"	42.033826
"1206396"	292.583601	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+ACN+2H"	43.041102
"199269"	1129.22336	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+2Na-H"	44.97116
"630083"	1671.34946	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+2Na-H"	44.97116
"1137962"	587.09726	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2Na-H"	44.97116
"179065"	565.115318	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+2Na"	45.978436
"619716"	836.178368	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+2Na"	45.978436
"1124317"	294.052268	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2Na"	45.978436
"1407839"	196.370604	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H+2Na"	46.985712
"1438862"	589.138846	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H+HCOOH"	47.012746
"227465"	570.14834	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+3H2O+2H"	56.04448
"1516622"	603.19089	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+IsoProp+H"	61.06479
"419591"	573.102288	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+Na+K"	61.952376
"774026"	844.165338	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+Na+K"	61.952376
"1679961"	302.039238	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Na+K"	61.952376
"265633"	1148.267968	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+ACN+Na"	64.015768
"1237972"	606.141868	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+ACN+Na"	64.015768
"1726133"	606.165393	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+NH4+HCOOH"	64.039293
"1192216"	203.697918	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+3Na"	68.967654
"1659195"	611.120788	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Na+HCOOH"	68.994688
"168242"	1161.17124	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+2K-H"	76.91904
"607802"	1703.29734	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+2K-H"	76.91904
"1095597"	619.04514	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2K-H"	76.91904
"149132"	581.089258	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"2M+2K"	77.926316
"590880"	852.152308	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"3M+2K"	77.926316
"1073207"	310.026208	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2K"	77.926316
"1109695"	621.059692	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2K+H"	78.933592
"1344986"	621.147307	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+DMSO+H"	79.021207
"1009142"	625.186476	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2ACN+H"	83.060376
"1528363"	626.180108	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+IsoProp+Na+H"	84.054008
"991892"	313.096876	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+2ACN+2H"	84.067652
"1588218"	627.094728	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+K+HCOOH"	84.968628
"1428106"	657.126238	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+H+CF3COOH"	115.000138
"1156207"	333.610151	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+3ACN+2H"	125.094202
"1710130"	674.152785	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+NH4+CF3COOH"	132.026685
"1649434"	679.10818	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+Na+CF3COOH"	136.98208
"1586902"	695.08212	"C21334"	"CMP-8-amino-38-dideoxy-beta-D-manno-octulosonate;CMP-Kdo8N"	"C17H27N4O14P"	"542.1261"	"M+K+CF3COOH"	152.95602
"816176"	342.1162	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M"	0
"988985"	323.09781	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H2O-H"	-19.01839
"77878"	227.070190666667	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-3H"	-3.021828
"514238"	341.108924	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-3H"	-3.021828
"893134"	113.031457333333	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-3H"	-3.021828
"9523"	341.108924	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H"	-2.014552
"452361"	512.167024	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H"	-2.014552
"830163"	170.050824	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H"	-2.014552
"87971"	683.225124	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-H"	-1.007276
"530446"	1025.341324	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-H"	-1.007276
"905335"	341.108924	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H"	-1.007276
"59346"	700.251671	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+NH4"	16.019271
"495990"	1042.367871	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+NH4"	16.019271
"874887"	358.135471	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+NH4"	16.019271
"39507"	705.207066	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+Na"	20.974666
"473112"	1047.323266	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+Na"	20.974666
"857964"	363.090866	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+Na"	20.974666
"1624215"	363.090866	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na-2H"	20.974666
"99649"	359.097263	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-H+Cl"	33.962126
"539212"	530.155363	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-H+Cl"	33.962126
"930541"	188.039163	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+Cl"	33.962126
"274565"	719.201802	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Cl"	34.969402
"669173"	1061.318002	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Cl"	34.969402
"1283764"	377.085602	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl"	34.969402
"24134"	721.181006	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M-2H+K"	36.948606
"466615"	1063.297206	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M-2H+K"	36.948606
"847698"	379.064806	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-2H+K"	36.948606
"1570093"	379.064806	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K-2H"	36.948606
"955428"	387.114394	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+HCOOH"	44.998194
"374373"	729.230601	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+HCOOH-H"	44.998201
"359958"	743.246251	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Hac-H"	59.013851
"1507088"	401.130051	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Hac-H"	59.013851
"972081"	409.096351	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+NaCOOH"	66.980151
"124269"	377.085602	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Cl"	69.938804
"564194"	548.143702	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Cl"	69.938804
"1035179"	206.027502	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Cl"	69.938804
"1255487"	421.035085	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Br"	78.918885
"1317202"	423.091072	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+HCOOH"	80.974872
"1333241"	445.073029	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+NaCOOH"	102.956829
"925394"	455.101786	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M-H+CF3COOH"	112.985586
"1304017"	491.078464	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Cl+CF3COOH"	148.962264
"1382544"	307.103524	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H-2H2O"	-35.012676
"1391563"	325.1135	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H-H2O"	-17.0027
"289064"	685.239676	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H"	1.007276
"685864"	1027.355876	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H"	1.007276
"1362213"	343.123476	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H"	1.007276
"130728"	343.123476	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2H"	2.014552
"571380"	514.181576	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2H"	2.014552
"1040179"	172.065376	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2H"	2.014552
"210269"	229.084742666667	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+3H"	3.021828
"652017"	343.123476	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+3H"	3.021828
"1167956"	115.046009333333	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3H"	3.021828
"432319"	702.266223	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+NH4"	18.033823
"790033"	1044.382423	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+NH4"	18.033823
"1683088"	360.150023	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4"	18.033823
"331487"	351.6367495	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+NH4"	19.041099
"732535"	522.6948495	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+NH4"	19.041099
"1489272"	180.5786495	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+NH4"	19.041099
"407834"	707.221618	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Na"	22.989218
"767124"	1049.337818	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Na"	22.989218
"1610848"	365.105418	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na"	22.989218
"326354"	354.114447	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+Na"	23.996494
"716588"	525.172547	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+Na"	23.996494
"1470409"	183.056347	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+Na"	23.996494
"1062561"	122.373323333333	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2H+Na"	25.00377
"1269708"	375.149686	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+CH3OH+H"	33.033486
"388283"	723.195558	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+K"	38.963158
"750374"	1065.311758	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+K"	38.963158
"1552427"	381.079358	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K"	38.963158
"308510"	362.101417	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+H+K"	39.970434
"702026"	533.159517	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+H+K"	39.970434
"1461199"	191.043317	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+K"	39.970434
"243356"	726.266226	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+H"	42.033826
"1212785"	384.150026	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+H"	42.033826
"1199948"	192.578651	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+2H"	43.041102
"192820"	729.20356	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Na-H"	44.97116
"633474"	1071.31976	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Na-H"	44.97116
"1142445"	387.08736	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Na-H"	44.97116
"183549"	365.105418	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2Na"	45.978436
"622016"	536.163518	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2Na"	45.978436
"1123335"	194.047318	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2Na"	45.978436
"1406857"	129.700637333333	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+2Na"	46.985712
"1435695"	389.128946	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+HCOOH"	47.012746
"225390"	370.13844	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+3H2O+2H"	56.04448
"1521107"	403.18099	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+H"	61.06479
"422984"	373.092388	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+Na+K"	61.952376
"784955"	544.150488	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+Na+K"	61.952376
"1675938"	202.034288	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+K"	61.952376
"259176"	748.248168	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+ACN+Na"	64.015768
"1236260"	406.131968	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+ACN+Na"	64.015768
"1724057"	406.155493	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4+HCOOH"	64.039293
"1183947"	137.027951333333	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3Na"	68.967654
"1656026"	411.110888	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+HCOOH"	68.994688
"167261"	761.15144	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2K-H"	76.91904
"609008"	1103.26764	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2K-H"	76.91904
"1090240"	419.03524	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K-H"	76.91904
"147057"	381.079358	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"2M+2K"	77.926316
"586618"	552.137458	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"3M+2K"	77.926316
"1074411"	210.021258	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K"	77.926316
"1105430"	421.049792	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2K+H"	78.933592
"1340726"	421.137407	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+DMSO+H"	79.021207
"1009255"	425.176576	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+H"	83.060376
"1530662"	426.170208	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+IsoProp+Na+H"	84.054008
"994929"	213.091926	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+2ACN+2H"	84.067652
"1589429"	427.084828	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K+HCOOH"	84.968628
"1418373"	457.116338	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+H+CF3COOH"	115.000138
"1154130"	233.605201	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+3ACN+2H"	125.094202
"1710972"	474.142885	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+NH4+CF3COOH"	132.026685
"1648080"	479.09828	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+Na+CF3COOH"	136.98208
"1587013"	495.07222	"C21336"	"beta-12-Mannobiose;beta-D-Mannopyranosyl-(1-2)-D-mannopyranose"	"C12H22O11"	"342.1162"	"M+K+CF3COOH"	152.95602
